smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cn1cc(C#N)c(=O)n(CC(=O)NC2(C#N)CCCCC2)c1=O 11263550 YIHNILVSXNESKP-UHFFFAOYSA-N 315.333 -0.239 30 20 DBED CCNS(=O)(=O)[C@@H]1CCN([C@@H](C)C(=O)N(C)CCC#N)C1 92843351 PPIOCHKNUFNCLS-NWDGAFQWSA-N 316.427 -0.239 30 20 DBED CC(C)Cn1c(N)c(C(=O)CN(C)CCC#N)c(=O)[nH]c1=O 177188151 PFQDTRGZYDCHMO-UHFFFAOYSA-N 307.354 -0.197 30 20 DBED N#Cc1ncccc1S(=O)(=O)N1CCN2C(=O)NC[C@@H]2C1 236405088 JJZBNPNNXKNEME-SECBINFHSA-N 307.335 -0.649 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCC(C)(C)N(C)C)C1=O 264255809 IGPCXXFNPXQZNZ-UHFFFAOYSA-N 310.354 -0.580 30 20 DBED C#CCOc1cccc(NC(=O)C(=O)NCC(=O)N(C)C)c1 264583383 YINYGGVBEHRCQS-UHFFFAOYSA-N 303.318 -0.159 30 20 DBED COCCNS(=O)(=O)c1c[nH]c(C(=O)N[C@H](C)CC#N)c1 266837333 LTNGTRSWSUDEOZ-SECBINFHSA-N 314.367 -0.029 30 20 DBED CN1C(=O)C(=O)N(CC(=O)N2CCCC(C)(C)[C@@H]2C#N)C1=O 277844635 IZUYOPAJRARXGW-VIFPVBQESA-N 306.322 -0.052 30 20 DBED CN(C(=O)C(=O)Nc1ccc(F)c(C#N)c1)[C@@H]1COC[C@H]1O 289158371 SAQZTJPRZVLBEI-VXGBXAGGSA-N 307.281 -0.146 30 20 DBED C[C@H](CCS(C)(=O)=O)N/C(O)=N/CC(=O)N1CCCC1 331021112 KDEZUCATTWLTRD-SNVBAGLBSA-N 305.400 -0.064 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CCS(=O)(=O)[C@@H](C)[C@@H]1C 337085457 DJHXETBDZDOVHG-QWRGUYRKSA-N 323.440 -0.026 30 20 DBED C=CCOCCCN1CCN(C(=O)CN2C(=O)CCC2=O)CC1 348047965 GNXARWBBHRUMDK-UHFFFAOYSA-N 323.393 -0.128 30 20 DBED CC(C)[C@H](C#N)NC(=O)[C@@H]1OCC(=O)N(C)[C@@H]1c1cnn(C)c1 348449513 NHEHDFDVGSZXAU-IACUBPJLSA-N 319.365 -0.017 30 20 DBED C=CCOC[C@H]1NC(=O)N(C[C@H]2CCCS(=O)(=O)C2)C1=O 348963174 YZYLOHFUJHQDLF-GHMZBOCLSA-N 316.379 -0.066 30 20 DBED CCN(CCC#N)S(=O)(=O)N(C)CCNC(=O)N(C)C 352327803 DDUFQNFMZNXZIN-UHFFFAOYSA-N 305.404 -0.330 30 20 DBED Cn1c(NCc2ccc(C(N)=O)o2)c(C#N)c(=O)n(C)c1=O 356246872 BGEJIFIULQQKEK-UHFFFAOYSA-N 303.278 -0.740 30 20 DBED N#CCNC(=O)CNC(=O)N1CCC[C@@H](C(=O)NCC2CC2)C1 358318374 WOLIRYAJWQHMCO-GFCCVEGCSA-N 321.381 -0.426 30 20 DBED Cc1c(C#N)cccc1NC(=O)C(=O)NCCc1nc(N)no1 359369090 FWCBXMDROOGJDG-UHFFFAOYSA-N 314.305 0.129 30 20 DBED N#Cc1cccc(NC(=O)C(=O)N2CC[C@H](S(N)(=O)=O)C2)c1 440269731 UWZIOMJGZPIPJV-NSHDSACASA-N 322.346 -0.614 30 20 DBED N#Cc1cc(NC(=O)C(=O)N2C[C@@H](O)C[C@@H]2CO)ccc1F 442270382 LJSAUQIHBOQCKY-MNOVXSKESA-N 307.281 -0.410 30 20 DBED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NC2(CO)CCC2)n1 447292198 KXLKEEXWEDVRPU-UHFFFAOYSA-N 319.365 0.479 30 20 DBED COCCO[C@H]1C[C@H](CO)CN(S(=O)(=O)CCCC#N)C1 447848551 MASUDXAIRZBAMF-STQMWFEESA-N 320.411 -0.034 30 20 DBED C=CCNC(=O)NC(=O)CN1CC[C@@](COC)(C(=O)OC)C1 451332134 VFERQCLBVKQWSH-CQSZACIVSA-N 313.354 -0.490 30 20 DBED C[C@H]1CN(S(=O)(=O)N(C)CCC#N)C[C@@H](C)N1CCO 451894678 VVFYXYQJPMABRU-TXEJJXNPSA-N 304.416 -0.536 30 20 DBED C#CCN1CCN(C(=O)CN2C(=O)[C@H]3CCCN3C2=O)CC1 490780815 RLFZABCOPPVOGN-GFCCVEGCSA-N 304.350 -0.810 30 20 DBED C[C@@H]1CN(C(=O)NCC(=O)NCC#N)CCN([C@@H]2C[C@@H]2C)C1 490969992 IQDDKCMVAVPKTF-RWMBFGLXSA-N 307.398 -0.002 30 20 DBED C#CCNC(=O)C1CCN(Cn2nc3cnccn3c2=O)CC1 491696677 YZEQZDBWHQTUNA-UHFFFAOYSA-N 314.349 -0.690 30 20 DBED Cn1c(N2CCC3(CC2)COC(=O)N3)c(C#N)c(=O)n(C)c1=O 495031599 NFRWUUARLHGKHN-UHFFFAOYSA-N 319.321 -0.966 30 20 DBED CCOC(=O)CN(CC(N)=O)C(=O)CNc1cccc(C#N)c1 495074195 ZTOAUIRTZINZEF-UHFFFAOYSA-N 318.333 -0.153 30 20 DBED C=CCCn1cc(C(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)nn1 522005161 VSYMBUSXYASSBN-SNVBAGLBSA-N 313.383 -0.382 30 20 DBED N#C[C@@]1(NC(=O)c2cc(N3CCNC(=O)C3)ccn2)CCOC1 527297020 CEYIFZBEHCTZAB-HNNXBMFYSA-N 315.333 -0.570 30 20 DBED C[C@@H](C(=O)N(C)CC(=O)N[C@]1(C#N)CCOC1)n1cccn1 547811216 PFIVXDQTFIOFGY-FZMZJTMJSA-N 305.338 -0.299 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N[C@@H]1CCCN(CCCO)C1 568262770 XJCPPJAPAQPHHF-CHWSQXEVSA-N 318.443 -0.098 30 20 DBED N#Cc1cccc(S(=O)(=O)NCC(=O)NCc2cnn[nH]2)c1 589439590 GQFULLKZFBBJDD-UHFFFAOYSA-N 320.334 -0.729 30 20 DBED CN(CCCN)C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 592471520 VEAWKYIRTALOKY-UHFFFAOYSA-N 310.379 -0.356 30 20 DBED COCCN(CCC#N)S(=O)(=O)N(C)Cc1nc(C)no1 594488574 MXDWYTOSXDQQOT-UHFFFAOYSA-N 317.371 -0.083 30 20 DBED CC[C@H](C#N)N(C)S(=O)(=O)c1cnn(CC(=O)OC)c1 594579190 KDHYLQWMSOOKNF-SECBINFHSA-N 300.340 -0.021 30 20 DBED C[C@@H](C(=O)N1CCN(CC#N)CC1)n1cnc2c(N)ncnc21 597274097 NEWBDVMNTWLTHE-JTQLQIEISA-N 314.353 -0.363 30 20 DBED C=CCNC(=O)NC(=O)CN1CCC(N2CCOCC2)CC1 599474443 RRARHYGVJAENIE-UHFFFAOYSA-N 310.398 -0.205 30 20 DBED CCN(CCN)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N 599887242 CPVGTJYEVXFIHY-UHFFFAOYSA-N 306.370 0.255 30 20 DBED COCCN(C)CCN1C[C@@H](Nc2nccnc2C#N)CC1=O 601177966 GKWKRYYXISJDMG-LBPRGKRZSA-N 318.381 -0.061 30 20 DBED CN1CCC[C@@H]1C(=O)N1CCN(CC(=O)NCCC#N)CC1 766145134 UEEAYCDTPIFZGA-CYBMUJFWSA-N 307.398 -0.745 30 20 DBED C=CCNC(=O)COC(=O)[C@@H](C(C)C)N1CCCS1(=O)=O 773186303 JQVRHVZQNVKNHU-GFCCVEGCSA-N 318.395 -0.108 30 20 DBED C=CCOc1cccnc1C(=O)OCC(=O)N1CCNC(=O)C1 775120775 VSVZHIOPLGZETR-UHFFFAOYSA-N 319.317 -0.238 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)CNC(=O)OCC 785675108 XIYINHLNQFVKMP-MRVPVSSYSA-N 301.299 -0.324 30 20 DBED N#Cc1ccc(C(=O)OCC(=O)NCC(=O)N2CCCC2)[nH]1 786090436 FCVGJNHVAGJZFD-UHFFFAOYSA-N 304.306 -0.218 30 20 DBED CCOC(=O)C1(S(C)(=O)=O)CCN(C(=O)C=NOC)CC1 804717634 FUAJGICMWSQFCY-UHFFFAOYSA-N 320.367 -0.413 30 20 DBED C#CCCCS(=O)(=O)N1CCC(C(=O)NCCCO)CC1 805053921 FHIPXZWHYZNNKZ-UHFFFAOYSA-N 316.423 -0.060 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)c2cn(CC)cn2)CC1 820075394 VUUWGEFPPPCJAD-UHFFFAOYSA-N 305.382 -0.037 30 20 DBED C=CCS(=O)(=O)CCNS(=O)(=O)c1c[nH]nc1Cl 831075792 SRNPXOGXFMSKHM-UHFFFAOYSA-N 313.788 -0.058 30 20 DBED C#C[C@H](NC(=O)C(=O)Nc1cncc(OC)n1)[C@@H]1CCCO1 845924003 ZJLQZDJJQKKJIU-UWVGGRQHSA-N 304.306 -0.279 30 20 DBED C=CCOCCCOC(=O)CN1CCN(S(C)(=O)=O)CC1 851292831 UKVLQKUCAXLZIX-UHFFFAOYSA-N 320.411 -0.301 30 20 DBED C#CCN(CC(=O)NCC(C)(CO)CO)C(=O)OC(C)(C)C 854648407 CRJXZIPHACMZSY-UHFFFAOYSA-N 314.382 -0.036 30 20 DBED N#Cc1ccc(N2CCN(CCN3CCNCC3)CC2)cn1 872145957 AIYVXLFGYLYELF-UHFFFAOYSA-N 300.410 -0.020 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CCn1cncn1 936407021 YQJSKPHCMIDJIS-SRVKXCTJSA-N 302.338 -0.360 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2cnn[nH]2)C1 938241501 CUTOSKRERYDKHL-UMNHJUIQSA-N 305.338 -0.274 30 20 DBED Cc1[nH]nc(C(=O)NC[C@H]2CN(C(=O)[C@@H](C)C#N)CCO2)c1O 944551926 YWAQDSYKRQVJBZ-WPRPVWTQSA-N 321.337 -0.459 30 20 DBED C=CCn1cccc1C(=O)N1C[C@@H](NC(=O)C(N)=O)[C@H](OC)C1 946509686 XDEFNMNKZFJTAK-ZYHUDNBSSA-N 320.349 -0.885 30 20 DBED C#CCN1CCOC2(CCN(C(=O)c3ncn(C)n3)CC2)C1 949358206 IBBNZHDUVPNVTR-UHFFFAOYSA-N 303.366 -0.245 30 20 DBED N#Cc1cc(C(=O)NC[C@@H]2CCN2C(=O)[C@H]2COC(=O)N2)c[nH]1 949490429 AGAOIOJQFTYSAP-WDEREUQCSA-N 317.305 -0.675 30 20 DBED COCCn1cc(C(=O)NC[C@H]2CCN2C(=O)[C@H](C)C#N)nn1 949945235 JTEDPKIURXBIEK-GHMZBOCLSA-N 320.353 -0.585 30 20 DBED O=C(NC[C@H]1CCN1C(=O)C#CC1CC1)[C@H]1CCCS1(=O)=O 950264777 NJXASVBHNWZQBN-CHWSQXEVSA-N 324.402 -0.306 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H](NC(=O)c2nccnc2N)C1 951865484 SGXSPVHWAFEPHZ-NXEZZACHSA-N 302.338 -0.061 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](CNC(=O)C2CN(C(C)=O)C2)C1 958014365 FLYQTJYMRNXQND-YPMHNXCESA-N 315.801 -0.374 30 20 DBED COCCn1nccc1C(=O)NC[C@H]1CN(CC#N)C[C@@H]1O 958170853 ALOBJOIEXNONQF-AAEUAGOBSA-N 307.354 -0.924 30 20 DBED C=CCCN1C[C@@H](O)[C@H](CNC(=O)c2cn(C)c(=O)n2C)C1 958735628 DTFBKRPODKVKPU-DGCLKSJQSA-N 308.382 -0.678 30 20 DBED N#CCN1C[C@@H]2C(NC(=O)c3sccc3-n3cnnn3)[C@H]2C1 960767205 NLOPGUWBNQMVGQ-IUCAKERBSA-N 315.362 -0.093 30 20 DBED N#Cc1cc(C(=O)N2C[C@H](O)[C@H](NC(=O)c3cn[nH]c3)C2)c[nH]1 961701985 RYDXHSTXITYVRI-NEPJUHHUSA-N 314.305 -0.775 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)C1CCOCC1 964063929 SFVYGLPAYPNWFA-YPMHNXCESA-N 309.366 -0.084 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CC[C@@H](CNC(=O)c3cnon3)O2)C1 965557890 HZYOQGHPDBFUQB-ZJUUUORDSA-N 319.321 -0.281 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(C[C@@H](NC(=O)c3cncnc3)CO2)C1 965672489 BNXRPAXKIHUTOW-CMPLNLGQSA-N 315.333 -0.264 30 20 DBED CCN(C(=O)[C@H]1CN(C)C(=O)N1)C1CN(C(=O)[C@@H](C)C#N)C1 968214099 QDZCTZZPWICQDH-GXSJLCMTSA-N 307.354 -0.771 30 20 DBED CC#CCN1CCO[C@]2(CCN(C(=O)c3cnn(C)n3)C2)C1 972598841 JWLXMSMYPCYSSL-OAHLLOKOSA-N 303.366 -0.245 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)C[C@H]3CCCC(=O)N3)[C@H]2C1 976897881 VTGOWWVTHWTWLC-CYRTVHNOSA-N 318.377 -0.222 30 20 DBED CC#CCN1CCCC2(C1)CN(C(=O)CN1CC(=O)NC1=O)C2 982073563 VLQUXJFYFTXSCI-UHFFFAOYSA-N 318.377 -0.514 30 20 DBED C=C(Cl)CN[C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)[C@H]1C 987194678 GHTMOZLYOIKNOP-VHSXEESVSA-N 314.773 -0.130 30 20 DBED N#Cc1c[nH]c(C(=O)NC2CN(C(=O)c3cnsn3)C2)c1 990695408 KDTJKFURHJFCEY-UHFFFAOYSA-N 302.319 -0.008 30 20 DBED Cc1c(C(=O)N2CC(NC(=O)c3c[nH]c(C#N)c3)C2)nnn1C 990921265 UKOKMWFOICOABN-UHFFFAOYSA-N 313.321 -0.422 30 20 DBED COCC(=O)N1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)[C@H](O)C1 991388617 PYRQNKXJOPQXRD-CMPLNLGQSA-N 306.322 -0.776 30 20 DBED C#CCN1CCC[C@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)[C@@H]1C 993911873 BVNOMOOLJOSZMV-QWRGUYRKSA-N 320.349 -0.991 30 20 DBED C=CCN[C@@H]1CN(C(=O)CC[C@@H]2NC(=O)NC2=O)CC1(C)C 996585059 ODZKSQUVZOUPGO-WDEREUQCSA-N 308.382 -0.013 30 20 DBED N#CCN1CCC(C2(NC(=O)C3CS(=O)(=O)C3)CC2)CC1 1000164131 OBFVOTOBQJNIBC-UHFFFAOYSA-N 311.407 -0.085 30 20 DBED C=C(Cl)CN1CCC[C@@H](NC(=O)CN2CC(=O)NC2=O)C1 1008891210 HMYIIEQLCBHXOZ-SNVBAGLBSA-N 314.773 -0.129 30 20 DBED C#CCOc1ccc(C(=O)N[C@H]2CCN(CC(N)=O)C2)cc1 1015810030 YEVFWCHYBXDDIU-ZDUSSCGKSA-N 301.346 -0.012 30 20 DBED C=CCN1CC[C@H](N(C)C[C@H]2CCCN(C(=O)C(N)=O)C2)C1=O 1017199348 HRMIRODUXKMNKV-OLZOCXBDSA-N 322.409 -0.571 30 20 DBED C#CCN[C@H]1CCN(C(=O)[C@H]2COCCN2CC(F)F)C1 1019193149 VJQJOEZVXUGLON-NWDGAFQWSA-N 301.337 -0.224 30 20 DBED CN1CC[C@H](C(=O)NC[C@H]2CCCCN2CC#N)S1(=O)=O 1024704320 KBYOWMRVIRJFBE-VXGBXAGGSA-N 314.411 -0.485 30 20 DBED C#CCN1CCC(C(=O)NCC2CN([C@H](C)C(=O)NC)C2)CC1 1032207523 VPQLWUMMPOHHMA-CYBMUJFWSA-N 320.437 -0.486 30 20 DBED CNC(=O)[C@H](C)N1CCO[C@@H](CNC(=O)c2ccc(C#N)[nH]2)C1 1035331582 LYMNPCWMAWFHBZ-JQWIXIFHSA-N 319.365 -0.549 30 20 DBED CCn1nccc1C(=O)NC[C@@]1(O)CCN(C(=O)[C@H](C)C#N)C1 1039549011 BUQQGDDGMOGFPL-ABAIWWIYSA-N 319.365 -0.244 30 20 DBED C=C(C)CCC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2CCC(=O)N2)C1 1040440490 PTAQQHGXXQZKGO-BLLLJJGKSA-N 323.393 -0.299 30 20 DBED N#Cc1cncc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCCOC3)C2)n1 1040945704 VKRBYDBQQZBTDA-RAIGVLPGSA-N 317.349 -0.559 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)c2ccc(C)o2)C1 1041345615 HYWQDAYSUKQQTI-GFCCVEGCSA-N 320.345 -0.071 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCCOC2)C1 1041995585 YKGQRMMSVSZALH-CYBMUJFWSA-N 308.378 -0.094 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)c2ocnc2C)C1 1042368264 IRZBCDBCUZGGOL-LLVKDONJSA-N 321.333 -0.676 30 20 DBED Cc1ccc(CC(=O)NCC2(O)CN(C(=O)[C@H](C)C#N)C2)o1 1042622119 MAFMKJIAPYGEQM-SNVBAGLBSA-N 305.334 -0.020 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@@]23CCOC3)C1 1042801930 YTIBRNPKPKIGCL-XJKSGUPXSA-N 320.389 -0.094 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)CSCC#N)C1 1042936756 PAXRQGXHIJCCGN-UHFFFAOYSA-N 309.391 -0.408 30 20 DBED CCn1ncc(C(=O)N2CC(O)(CNC(=O)C#CC(C)C)C2)n1 1042936878 SPVRELSKSVPTKL-UHFFFAOYSA-N 319.365 -0.740 30 20 DBED CO[C@@H](C)CCC(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042958243 HTQLIKMPOZHOCN-LBPRGKRZSA-N 308.378 -0.096 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)[C@H](C2CC2)N(C)C)C1 1043465082 SBNBZWDCPLXFDE-HNNXBMFYSA-N 321.421 -0.325 30 20 DBED C=CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)Cc2cc[nH]n2)C1 1043570466 IZIMTUCHKJOIGQ-NSHDSACASA-N 322.365 -0.767 30 20 DBED N#Cc1cncc(N2C[C@H](O)[C@H](NC(=O)c3cnccn3)C2)n1 1043834542 HFFSLKLNLRQOIS-NEPJUHHUSA-N 311.305 -0.882 30 20 DBED C=CCC(C)(C)C(=O)N1CC(O)(CNC(=O)[C@@H]2CCC(=O)N2)C1 1044265665 LIGIZXDOGHPKOZ-NSHDSACASA-N 323.393 -0.443 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)[C@]2(C)CCNC2=O)C1 1044470084 KPFHKJDESCWHFQ-OAHLLOKOSA-N 323.393 -0.586 30 20 DBED C=CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCN(C)C(=O)C2)C1 1047433175 BPNCRKOUJUQUJH-RDBSUJKOSA-N 309.410 -0.066 30 20 DBED C=C(C)CN1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C(N)=O)c[nH]2)C1 1047576184 AMKJQOIMYXAQQF-STQMWFEESA-N 306.366 -0.193 30 20 DBED CC(C)C#CC(=O)N(C)[C@H]1CN(C(=O)c2cc[nH]n2)C[C@@H]1O 1048799226 WRQSULKYOBFQRA-STQMWFEESA-N 304.350 -0.287 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2CN(C[C@H](C)O)C[C@@H]2C1 1048870270 VPVIKMZZSNLJJI-JONQDZQNSA-N 305.422 -0.145 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)c1cn(C)c(=O)nc1O)C2 1050752476 IRBCRHCRSGCXKC-UHFFFAOYSA-N 316.361 -0.343 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](N2CCN(CC(=O)N(C)C)CC2)C1 1051998525 VIYUYLUEZDHEMN-KBPBESRZSA-N 321.425 -0.547 30 20 DBED C#CCN1CCN([C@H]2CCN(C(=O)[C@H](C)n3cncn3)C2)CC1 1052017190 FNBHYYLIVALIOR-GJZGRUSLSA-N 316.409 -0.309 30 20 DBED C[C@]12CN(C(=O)CC(N)=O)C[C@H]1CN(c1ccnc(C#N)n1)C2 1052268990 ZLLAYEJTNQZANT-BMIGLBTASA-N 314.349 -0.492 30 20 DBED CC#CCN1CCC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)CC1 1052395596 VRVPAFOKVKXJJE-GFCCVEGCSA-N 318.381 -0.629 30 20 DBED CC[C@H]1CCCN1C(=O)C(=O)N1CCOC2(CN(CC#N)C2)C1 1053499808 GSVTUMSFLUEWKC-ZDUSSCGKSA-N 320.393 -0.176 30 20 DBED COc1cc(C(=O)NC[C@H]2CCC3(CN(CC#N)C3)O2)ncn1 1053599136 NEDQAVBKIAUDIW-LLVKDONJSA-N 317.349 -0.028 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)c3cc(OC)ncn3)CO2)C1 1053804623 ZZDOIYCRJVPCAQ-LLVKDONJSA-N 302.334 -0.309 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)c3ccn(C)c(=O)c3)CO2)C1 1053849774 UGLWEOSFPHIATK-AWEZNQCLSA-N 315.373 -0.018 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)[C@H]3CCCC(=O)N3C)CO2)C1 1053997463 ORDLWRQTHRPPSC-CHWSQXEVSA-N 305.378 -0.410 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC[C@](CO)(NC(=O)C(F)F)C1 1055683140 TXXIURGBMMVNQU-HZMBPMFUSA-N 318.320 -0.241 30 20 DBED N#Cc1cnc(N2C[C@H]3C(NC(=O)c4cc[n+]([O-])cc4)[C@@H]3C2)cn1 1056100976 WWFUMBXGULYYIA-CHWSQXEVSA-N 322.328 -0.154 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@](CO)(NC(=O)Cc2cnc[nH]2)C1 1056165866 XNATWQUCOFBMGY-NHYWBVRUSA-N 319.365 -0.418 30 20 DBED N#Cc1ccc(N2C[C@H]3[C@H](NC(=O)[C@@H]4CCNC4=O)[C@H]3C2)nn1 1056354973 CAPPQIGIURWGFH-DCQANWLSSA-N 312.333 -0.965 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC[C@H]2[C@@H]1CCN2C(=O)C(N)=O 1056401458 GTXQWLMMZQUJNH-WOPDTQHZSA-N 307.350 -0.898 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)CCn1cccn1 1057013627 SGVDIUVMWDCRPN-LBPRGKRZSA-N 307.354 -0.630 30 20 DBED C#CCO[C@H](C)C(=O)NCCN(CCO)C(=O)c1ccon1 1057095324 YIPQBNSRTZOXBK-LLVKDONJSA-N 309.322 -0.736 30 20 DBED C#CCCCCC(=O)N(CCO)CCNC(=O)[C@H]1CCC(=O)N1 1057387646 NESQMKCHCJATPZ-CYBMUJFWSA-N 323.393 -0.604 30 20 DBED C=CCCCC(=O)NCCN(CCO)C(=O)c1cnn(C)c1N 1057405110 ARLBQCHEVCBKHC-UHFFFAOYSA-N 323.397 -0.091 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)Cc1cnoc1 1057445012 CKDZLNOFMHPMCN-UHFFFAOYSA-N 307.350 -0.042 30 20 DBED C#CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)c1[nH]ccc1C 1057582945 CVLLPYWJINGDLS-ZDUSSCGKSA-N 321.377 -0.088 30 20 DBED Cc1nc(O)[nH]c1C(=O)N(CCO)CCNC(=O)C#CC(C)C 1057887928 SHKMFTRQXXCZHC-UHFFFAOYSA-N 322.365 -0.366 30 20 DBED C[C@@H]1OCCO[C@@H]1C(=O)N[C@H]1CCN(c2cnc(C#N)cn2)C1 1058590591 IBRGDTILSOZYQI-MJVIPROJSA-N 317.349 -0.153 30 20 DBED N#Cc1cncc(N[C@H]2C[C@@H](NC(=O)[C@@H]3COCCO3)C2)n1 1059563606 GRQDKVAEPMPKJP-UMNHJUIQSA-N 303.322 -0.177 30 20 DBED C=CCOCC(=O)NCC[C@@H]1CCN(C(=O)Cn2nccn2)C1 1059710388 LWCBNVIWNGHYNQ-CYBMUJFWSA-N 321.381 -0.165 30 20 DBED Cc1cc(C#N)nc(N[C@@H]2CC[C@H]3CN(C(=O)C(N)=O)C[C@H]32)n1 1060552388 DYFVJLDCVAIJET-MVWJERBFSA-N 314.349 -0.209 30 20 DBED CNC(=O)CC(=O)N1CCC2(CC1)CN(C(=O)[C@H](C)C#N)C2 1061113718 YPAIDZLQQJRAIZ-LLVKDONJSA-N 306.366 -0.267 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H]1COCCN1C(=O)C#CC1CC1 1061585330 VIIMMFBZTFMNIL-DZGCQCFKSA-N 318.373 -0.218 30 20 DBED CN(C(=O)Cn1cncn1)[C@H]1CCN(c2cncc(C#N)n2)C1 1062933019 MDAYCEJXRRYGPZ-LBPRGKRZSA-N 312.337 -0.323 30 20 DBED C=CCCOCC(=O)NC1(CNC(=O)Cn2ncnn2)CCC1 1063149222 YZPCQAIEALJEID-UHFFFAOYSA-N 322.369 -0.579 30 20 DBED C=CCCC(=O)N1CCO[C@@H](CNC(=O)c2cnnn2C)C1 1064956006 PDLNZGJIOANRKG-NSHDSACASA-N 307.354 -0.262 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CN(C(=O)c2cc(=O)n(C)o2)CCO1 1065087573 RAUTWDHYSUAIGZ-UWVGGRQHSA-N 322.321 -0.905 30 20 DBED C#CCOCCC(=O)N1CCO[C@@H](CNC(=O)[C@H]2CCCO2)C1 1065149530 CILDXTHDOHWGQY-UONOGXRCSA-N 324.377 -0.451 30 20 DBED C[C@@H](Nc1cncc(C#N)n1)[C@H]1CCN(C(=O)CC(N)=O)C1 1065685186 VOZRJGNMOBFHNK-ZJUUUORDSA-N 302.338 -0.127 30 20 DBED C#CCOCCC(=O)N1CCC[C@@H](NC(=O)CC(=O)NC)CC1 1066086187 AKBWUNYWJGOOPC-CYBMUJFWSA-N 323.393 -0.340 30 20 DBED Cn1nnc(C(=O)NC[C@H]2[C@@H]3CN(c4ccncc4C#N)C[C@H]23)n1 1068192171 IWUGXDDLMQVWGY-CNDDSTCGSA-N 324.348 -0.411 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC2(CN(C(=O)C3CC3)CCO2)C1 1068266251 HZJLIXVRCYITHE-LBPRGKRZSA-N 306.362 -0.126 30 20 DBED COCC(=O)N1CCOC2(C1)CN(C(=O)CSCC#N)C2 1068273588 CWOPKWKGZSZACX-UHFFFAOYSA-N 313.379 -0.671 30 20 DBED C=CCCCC(=O)N1CCOC2(C1)CN(C(=O)CNC(C)=O)C2 1068447284 AFYCVRPIEBLOGJ-UHFFFAOYSA-N 323.393 -0.081 30 20 DBED C=C[C@@](C)(CC)C(=O)N[C@@H]1COC2(C1)CN(C(=O)C(N)=O)C2 1069017237 JLPWZNKKPYBIJD-HZMBPMFUSA-N 309.366 -0.440 30 20 DBED C=C1CCC(C(=O)NCC2(NC(=O)C(N)=O)CCOCC2)CC1 1070228662 JIMLLHHMBOJAIE-UHFFFAOYSA-N 323.393 0.000 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@@H](NC(=O)[C@@H](C)C#N)C1 1070636101 IMZGUNCXIFKUJK-NWDGAFQWSA-N 304.350 -0.607 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCC[C@@H](NC(=O)C2(C(N)=O)CC2)C1 1070673019 VONOBIIFGSTJRJ-IAQYHMDHSA-N 323.393 -0.314 30 20 DBED C=CCN1C[C@H]2C[C@H]3CN(C(=O)[C@@H]4COCCN4C)C[C@@]3(C1)O2 1070790495 YJZLVKOVDVUJFE-QSJFSLAZSA-N 321.421 -0.195 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)c4ncn(C)n4)C[C@@]3(C1)O2 1070796399 FHOOFEQTRMEUMH-LALPHHSUSA-N 301.350 -0.636 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)[C@H]2C[C@@H]2C(=O)OC)CC1 1070945835 BEVROGLTHORRDY-STQMWFEESA-N 321.377 -0.921 30 20 DBED N#CCN1CCNC(=O)CCN(C(=O)[C@@H]2[C@H]3COC[C@H]32)CC1 1070987121 RNHCNYIXJIUNHM-IMRBUKKESA-N 306.366 -0.947 30 20 DBED CC(=O)NCC(=O)N1C[C@H](C)[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 1071495718 KJAXDHIAIGUSMP-ZANVPECISA-N 317.349 -0.401 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)CCn2cncn2)C[C@@H]1C 1071618181 URTBIPYDEZGEDS-QWHCGFSZSA-N 321.381 -0.166 30 20 DBED CNC(=O)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 1071967630 QAQHGLZUXXENEK-SKDRFNHKSA-N 317.349 -0.401 30 20 DBED C#CCOCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)CC(=O)NCC)C1 1072096752 DHHJYYXTMKNHEE-OLZOCXBDSA-N 323.393 -0.484 30 20 DBED C#Cc1ccc(C(=O)N2C[C@@H](C)[C@@H](NC(=O)CC(N)=O)C2)cn1 1072468354 SXGZMGOAXXXZBQ-MFKMUULPSA-N 314.345 -0.485 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(C(=O)Cc2cnc[nH]2)C[C@@H]1C 1072801303 PQIULZVQAYROBE-GXTWGEPZSA-N 318.377 -0.045 30 20 DBED C=CCN1CCC2(C1)CN(C(=O)[C@H]1COCCN1C(C)=O)C2 1073443339 KKBIRSUJDVDIFA-CQSZACIVSA-N 307.394 -0.046 30 20 DBED C=C(Cl)CN[C@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)[C@H]1C 1074922370 PGCNMQGCNYHXHD-GUBZILKMSA-N 314.773 -0.084 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H](C)CCNC(=O)C1=COCCO1 1075503665 YXIDNOIVWIZNKR-NWDGAFQWSA-N 310.350 -0.076 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H](C)CCNC(=O)CN(C)C(C)=O 1075680545 WTJSAFZCGCNOKV-NHYWBVRUSA-N 313.398 -0.197 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H](C)CCNC(=O)CN(C)C(C)=O 1075681774 BIOHUQXRYBRJMA-RYUDHWBXSA-N 311.382 -0.486 30 20 DBED C=CCCC(=O)NCC[C@H](C)NC(=O)CN1C(=O)CN(C)C1=O 1075885952 VNDXMJBUKQRSSC-NSHDSACASA-N 324.381 -0.142 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)c1oncc1C 1076219058 RXRGPCGLUCIUJL-NSHDSACASA-N 320.349 -0.253 30 20 DBED N#CCN1C[C@@H]2CCN(C(=O)CCn3cnccc3=O)[C@@H]2C1 1076406662 WUHGENIETTVHQB-QWHCGFSZSA-N 301.350 -0.310 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2cc(C(F)(F)F)nn2C)C1 1077056112 GLHKLZBDNWMUSU-PSASIEDQSA-N 316.283 -0.153 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCCS2(=O)=O)C1 1077446288 BLKSKWPUGMHQOV-IJLUTSLNSA-N 302.396 -0.699 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)c2cc(C)c(C(N)=O)cn2)C1 1077704132 CNSJLLBHCRQBHA-CHWSQXEVSA-N 304.350 -0.550 30 20 DBED C[C@@H](CCNC(=O)[C@H](C)C#N)NC(=O)CNC(=O)N1CCCC1 1078137712 HQPYIHSKPBVISM-NEPJUHHUSA-N 323.397 -0.038 30 20 DBED C[C@@H](CCNC(=O)[C@@H](C)C#N)NC(=O)c1ccc(C(N)=O)[nH]1 1078138335 XUVWKNFYTLQUDI-IUCAKERBSA-N 305.338 -0.102 30 20 DBED CCN(C(=O)C[C@H](C)NC(N)=O)C1CN(C(=O)[C@H](C)C#N)C1 1079780424 HYMVCBPEUFJODO-ZJUUUORDSA-N 309.370 -0.348 30 20 DBED C=CCCOCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CSC)C1 1081231282 LHENURJZMPDTAX-NWDGAFQWSA-N 316.423 -0.122 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)c2ccnnc2)C[C@@H]1O 1081338956 YRLIXSWTSLXUPB-OLZOCXBDSA-N 304.350 -0.008 30 20 DBED Cc1ncoc1C(=O)N1C[C@H](O)[C@H](CNC(=O)C#CC2CC2)C1 1081470800 GBIQYRZBAXHJFG-OLZOCXBDSA-N 317.345 -0.054 30 20 DBED CC#CCCCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cnon2)C1 1081684159 BVIAJNCXIQBUNX-YPMHNXCESA-N 320.349 -0.188 30 20 DBED CC#CCN1C[C@@H](NC(=O)c2nccnc2C(N)=O)[C@H](OC)C1 1082361190 OKUSQTMBUMEKLS-GHMZBOCLSA-N 317.349 -0.972 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CCc1ccn(C)n1 1083096582 MYBIOHGDRKWSQH-LSDHHAIUSA-N 302.378 -0.103 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cc2n(n1)CCO2 1083106645 OCUDBYWWXDCPAU-UONOGXRCSA-N 316.361 -0.176 30 20 DBED CCc1nc(C)c(CC(=O)N[C@@H]2CN(CC#N)C[C@@H]2O)c(C)n1 1083654966 OKVCEBSIUPAOPO-KGLIPLIRSA-N 317.393 -0.117 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)c2c(C)c(C)nn(C)c2=O)C1 1083688858 NZOIDMGSRZVQJI-OLZOCXBDSA-N 320.393 -0.252 30 20 DBED Cn1cc(C(=O)NC[C@H]2CC[C@@H](NCC#N)C2)c(O)nc1=O 1086873556 NMAQCYHLLIHRMN-VHSXEESVSA-N 305.338 -0.502 30 20 DBED C=CCN1C[C@@H](NC(=O)Cn2ncnn2)CC2(CCOCC2)C1 1089939455 RPTAOKKQPXQTFZ-ZDUSSCGKSA-N 320.397 -0.154 30 20 DBED C=C(C)CCN1CC[C@@H](NC(=O)C2CN(C(C)=O)C2)[C@H](O)C1 1090219178 MMBSBIFGTSCNTR-HUUCEWRRSA-N 309.410 -0.018 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cnc3c(c2)nnn3C)[C@@H](O)C1 1090441267 JWLRLLAWMATUOP-AAEUAGOBSA-N 314.349 -0.839 30 20 DBED C#CCN1C[C@@H]2CN(C(=O)[C@@H](C)N3C(=O)CCC3=O)C[C@]2(C)C1 1091716094 HIRPXCQEITXFTA-XNJGSVPQSA-N 317.389 -0.063 30 20 DBED C[C@@H](CN1CCOCC1)C(=O)NCCNc1cnc(C#N)cn1 1093643259 HQLGYAARHJMTEU-LBPRGKRZSA-N 318.381 -0.155 30 20 DBED N#CCN1CC(n2cc(CNC(=O)c3cccc(O)n3)nn2)C1 1094280950 CIUYUNACPFRVPQ-UHFFFAOYSA-N 313.321 -0.311 30 20 DBED C=C(C)CN1CCN(C(=O)COC)[C@@H]2CS(=O)(=O)C[C@@H]21 1094593165 MNDBIBDVORBVHT-NWDGAFQWSA-N 302.396 -0.481 30 20 DBED C=CCCN1CC(N2C[C@H](NC(=O)c3cnnn3C)CC2=O)C1 1094734442 ZDKVMHZDGQXJAB-LLVKDONJSA-N 318.381 -0.594 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CCN(c2ccc3nnnn3n2)C1 1096393401 MNUDLEBJAULQEH-GHMZBOCLSA-N 317.353 -0.195 30 20 DBED C#CCOCCC(=O)N[C@H]1CCN(c2ccc3nnnn3n2)C1 1096441966 LTFFRMXUZQPSCZ-NSHDSACASA-N 315.337 -0.746 30 20 DBED C[C@H](CNC(=O)c1cc(C#N)c[nH]1)Nc1nccn2nnnc12 1097778552 UYBYQBGVVVRRLU-MRVPVSSYSA-N 311.309 -0.051 30 20 DBED C[C@H](CNC(=O)CN1CCOCC1)Nc1nccnc1C#N 1097782521 HROHMGHNXQVOPX-LLVKDONJSA-N 304.354 -0.403 30 20 DBED C[C@H](CNC(=O)C[C@H]1CC(=O)NC1=O)Nc1cnc(C#N)cn1 1097943944 OJPWQCJBFRCTTD-BDAKNGLRSA-N 316.321 -0.682 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H](C)N=c1cc[nH]c(C(=O)OC)n1 1098061537 PFAVPWJFNADCCB-GHMZBOCLSA-N 320.349 -0.360 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H](C)N=c1cc[nH]c(C(=O)OC)n1 1098061540 PFAVPWJFNADCCB-WDEREUQCSA-N 320.349 -0.360 30 20 DBED C[C@@H](CCNC(=O)Cn1cnnc1O)N=c1cc[nH]c(C#N)n1 1098990300 UVIRCQQHMHXYIN-VIFPVBQESA-N 316.325 -0.926 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CCN(CCOCCO)C[C@@H]2O)c[nH]1 1099783869 XUKZVFUYORXYFQ-KGLIPLIRSA-N 322.365 -0.940 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)c2cncnc2)[C@@H](O)C1 1099786942 RXKCLTGTRBUHSJ-KBPBESRZSA-N 306.366 -0.156 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CCN(CC(=O)N2CCCC2)C[C@@H]1O 1099820278 CMZSNPFDFVMOGJ-CABCVRRESA-N 321.421 -0.180 30 20 DBED N#CCNC(=O)CN1CC[C@@H](NC(=O)CCCC2CC2)[C@@H](O)C1 1099964137 HENLVCLYMOWNDB-KGLIPLIRSA-N 322.409 -0.242 30 20 DBED N#CCNC(=O)CN1CC[C@H](NC(=O)C2CC3(CC3)C2)[C@H](O)C1 1100000601 IASYRWQTUNVWHI-QWHCGFSZSA-N 320.393 -0.632 30 20 DBED C=CCN1CC[C@@H](NC(=O)CCn2cnccc2=O)[C@H](O)C1 1100055700 HLLYODOMMSJIFV-CHWSQXEVSA-N 306.366 -0.629 30 20 DBED CNC(=O)NCCC(=O)NCCN(C)c1ccc(C#N)cn1 1100058861 BOCBRYIORFVQDN-UHFFFAOYSA-N 304.354 -0.175 30 20 DBED CC(=O)NCCCCCC(=O)N[C@@H]1CCN(CC#N)C[C@H]1O 1100101686 QXHRWBCCDFEYSH-ZIAGYGMSSA-N 310.398 -0.242 30 20 DBED CC(=O)N1CCC[C@@H]1C(=O)NCCN(C)c1ccnc(C#N)n1 1100155601 RZDREDHLOSEVLZ-GFCCVEGCSA-N 316.365 -0.088 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)c2n[nH]c(C)c2C)C1 1100199751 YXIDKIAWGFZWTL-UHFFFAOYSA-N 317.393 -0.126 30 20 DBED C=CCNC(=O)CNC1CC(CNC(=O)[C@H]2CN(C)CCO2)C1 1100212232 UFTXBFZSKRUGDN-JXQTWKCFSA-N 324.425 -0.896 30 20 DBED CCN(CCNC(=O)c1ncn(C)n1)c1ccc(C#N)nn1 1100512331 UVFSEEKQBORENT-UHFFFAOYSA-N 300.326 -0.267 30 20 DBED CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CCN(c2cnc(C#N)cn2)C1 1100921862 OHNGZAAFZKYLOB-JQWIXIFHSA-N 316.365 -0.185 30 20 DBED N#Cc1ccc(NC[C@H]2CCCN2C(=O)CCNC(N)=O)nn1 1103804289 FLHZEYIDFVQGKQ-LLVKDONJSA-N 317.353 -0.190 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H](C)CNc1nccnc1F 1103956505 SLQLPOKHQLHDIU-JTQLQIEISA-N 307.329 -0.081 30 20 DBED Cc1nonc1CC(=O)N(C)[C@H](C)CN=c1cc[nH]c(C#N)n1 1104670531 CAEJUIUHEHBDEY-SECBINFHSA-N 315.337 -0.037 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)[C@@]1(C)CCNC1=O 1104818575 BRYFRIPSLUFWFV-BONVTDFDSA-N 316.365 -0.445 30 20 DBED Cc1cc(C#N)nc(NC[C@H](O)CNC(=O)[C@@H]2CCCN2C)n1 1105754564 HIKZEXSZPBCEAE-OLZOCXBDSA-N 318.381 -0.360 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)CCc2nc[nH]n2)cn1 1105784174 CYHYHRQJDLUIMV-GFCCVEGCSA-N 315.337 -0.407 30 20 DBED Cc1nc(CC(=O)NC[C@@H](O)CNc2ccc(C#N)cn2)n[nH]1 1105826453 FRCTZXSDSBNWRI-NSHDSACASA-N 315.337 -0.489 30 20 DBED CCCN(C)CCC(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1 1105917621 LMTPAKIFXXRJPV-LBPRGKRZSA-N 320.397 -0.609 30 20 DBED C[C@]1(C(=O)NC[C@H](O)CNc2nccnc2C#N)CCOC1 1105939292 NRFUDJLVLHOMDF-YGRLFVJLSA-N 305.338 -0.336 30 20 DBED Cc1n[nH]cc1C(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1 1106063154 UNCICCAUUKINRH-VIFPVBQESA-N 301.310 -0.996 30 20 DBED C=CCNC[C@@H]1CN(C(=O)CNS(=O)(=O)N(C)C)C[C@H]1C 1106712825 NLELCPWALFRQTD-VXGBXAGGSA-N 318.443 -0.748 30 20 DBED C=CCCN1CC(n2cc(CNC(=O)CC(=O)NC)nn2)C1 1107161140 ZMMCDNNIMACHCV-UHFFFAOYSA-N 306.370 -0.537 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@]12CCC[C@H]1N(CC(N)=O)CC2 1107403202 ZAORCNPXENOCCM-XJKCOSOUSA-N 307.394 -0.129 30 20 DBED C#CCCN1CCO[C@@](C)(CNC(=O)CNC(=O)C2CC2)C1 1107768496 VWVHKFKHOJSPQV-INIZCTEOSA-N 307.394 -0.257 30 20 DBED CC#CCN1CCO[C@@](C)(CNC(=O)[C@H]2CCNC(=O)C2)C1 1107864224 PKTROKILSYGPIN-BBRMVZONSA-N 307.394 -0.257 30 20 DBED C#CCCN1CCO[C@](C)(CNC(=O)C2CS(=O)(=O)C2)C1 1107968477 FMBLWPXLGWDUGP-CQSZACIVSA-N 314.407 -0.739 30 20 DBED COCCCN1CC(N2C[C@@H](NC(=O)[C@H](C)C#N)CC2=O)C1 1108527382 ICDKPSZRLDMWCK-NEPJUHHUSA-N 308.382 -0.416 30 20 DBED Cc1nsc(N(C)C[C@H](C)NC(=O)[C@H]2CNC(=O)N2)c1C#N 1109210995 NODASXWTYGVVOF-OIBJUYFYSA-N 322.394 -0.055 30 20 DBED N#Cc1cncc(NC[C@@H](NC(=O)[C@H]2CCC(=O)N2)C2CC2)n1 1109793787 LCBQDZYABZDVQY-VXGBXAGGSA-N 314.349 -0.066 30 20 DBED N#Cc1nccnc1NC[C@H](NC(=O)Cn1ncnn1)C1CC1 1109916977 CTCMUXHNWHGTRP-NSHDSACASA-N 313.325 -0.658 30 20 DBED N#Cc1nccnc1NC[C@@H](NC(=O)C(N)=O)C1CCCC1 1110679208 OCPFDHTUEPNKCR-LLVKDONJSA-N 302.338 -0.080 30 20 DBED C=CCOCCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H]1CN(C)C(=O)N1 1110891080 RIUFFICWVMZPDI-MQYQWHSLSA-N 322.409 -0.066 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@]1(CO)CCCN(c2ncccn2)C1 1111361585 UAYADRLCLRXZBA-BBRMVZONSA-N 318.377 -0.038 30 20 DBED N#Cc1nc(=NCCN(CCO)C(=O)c2cc[nH]n2)cc[nH]1 1111426489 AFEHHPCVYISFHC-UHFFFAOYSA-N 301.310 -0.960 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CCN(c2cnc(C#N)cn2)C[C@H]1C 1112388446 PFHCLOGLTOMOSJ-ZWNOBZJWSA-N 316.365 -0.185 30 20 DBED N#Cc1ccc(NCCNC(=O)C(=O)NC2CCOCC2)nc1 1117057094 RFBGTKKEBIOGSJ-UHFFFAOYSA-N 317.349 -0.223 30 20 DBED C[C@@H](CNC(=O)C(=O)N1CCC(CC#N)CC1)S(C)(=O)=O 1117389731 QOPRPFYUMOVUKF-JTQLQIEISA-N 315.395 -0.312 30 20 DBED C=C[C@H](COC)NC(=O)N(CCN(C)C)CC(=O)N(C)C 1118601635 ICKVZXAHGPDWNZ-GFCCVEGCSA-N 300.403 -0.151 30 20 DBED C[C@@H](CC(=O)NC[C@H](CO)Nc1ncccc1C#N)NC(N)=O 1122071568 RBBDUENEVPXEFD-GXSJLCMTSA-N 320.353 -0.711 30 20 DBED N#Cc1cccnc1N[C@H](CO)CNC(=O)C[C@H]1CCNC1=O 1122191420 USVBQOBPQQJUQW-PWSUYJOCSA-N 317.349 -0.632 30 20 DBED Cc1cc(=N[C@H](CO)CNC(=O)[C@@]23COC[C@@H]2C3)c(C#N)c[nH]1 1122759719 FIYOTGLMGOTDPT-XEZPLFJOSA-N 316.361 -0.391 30 20 DBED CC(=O)NCC(=O)N1CC[C@@H](Nc2cnc(C#N)cn2)[C@H]1C 1122905113 XHFLJARMJHICBO-BXKDBHETSA-N 302.338 -0.114 30 20 DBED COC[C@H](C)OC[C@@H](O)CNCCNC(=O)c1cc(C#N)c[nH]1 1125360704 JCGYLFRPHUSOKX-AAEUAGOBSA-N 324.381 -0.382 30 20 DBED COCCN(CCNC(=O)c1cnon1)c1cnc(C#N)cn1 1126403397 CKJCXDNUIZKWTE-UHFFFAOYSA-N 317.309 -0.386 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)c1ccnc2[nH]cnc12 1128390535 XVYXDAIVDSHERX-SNVBAGLBSA-N 316.365 -0.032 30 20 DBED C=CCOCC(=O)N1C[C@H](n2ccnn2)[C@H](NCC#CC)C1 1129681575 UTJGQWMGHKRABI-KGLIPLIRSA-N 303.366 -0.155 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCNCC(=O)NCCCC 1129770088 AFVBJMOEMQCQKG-AWEZNQCLSA-N 308.426 -0.294 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CCO[C@H]1C1CC1 1131568572 QGMBIYJDTGEZJB-BNOWGMLFSA-N 307.394 -0.355 30 20 DBED C#CCCN1CC[C@@]2(C1)CN(C(=O)CCNC(N)=O)C[C@@H](C)O2 1131697811 RIDYGSUKSLUAHX-CZUORRHYSA-N 322.409 -0.240 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)CC(=O)N(C)C)CC[C@@H]1C 1132345686 RTKNUYZGUDGPDA-STQMWFEESA-N 322.409 -0.817 30 20 DBED C#Cc1cncc(C(=O)NCCN[C@@H]2CCC(=O)NC2=O)c1 1133593005 JTWXFPGCMBPYPW-GFCCVEGCSA-N 300.318 -0.813 30 20 DBED C[C@@H](C[C@H](C)NC(=O)c1cnns1)NCC(=O)NCC#N 1133799408 SVDJEYJLCUBUHY-IUCAKERBSA-N 310.383 -0.336 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)CN1CC[C@H](C)C1 1133853602 LUENQOVBRTVPFP-AWEZNQCLSA-N 323.441 -0.204 30 20 DBED C=C(C)CN[C@@H](C)C[C@@H](C)NC(=O)Cn1ccc(=O)n(C)c1=O 1134540798 LURJXPVNFOBVFU-QWHCGFSZSA-N 322.409 -0.004 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1cc(C)nc(C)n1 1135273154 JYTAMHNZBSYRTP-NSHDSACASA-N 303.366 -0.449 30 20 DBED C#CCN[C@H](C)C[C@H](C)NC(=O)c1cn(CC(=O)N(C)C)nn1 1146584976 VRZHKMFWODHYMW-NEPJUHHUSA-N 320.397 -0.514 30 20 DBED COCC#CCN1CCC2(C1)CN(C(=O)[C@@H]1CCC(=O)N1C)C2 1148053576 UTBPSJYKKKDPJO-AWEZNQCLSA-N 319.405 -0.209 30 20 DBED C=CCN1CCC2(C1)CN(C(=O)[C@H](C)NS(C)(=O)=O)C2 1148352074 ZPZGEFOWKMPMLC-NSHDSACASA-N 301.412 -0.356 30 20 DBED COc1cccc(OC)c1C(=O)NCCNCC(=O)NCC#N 1148944845 OSWQYAVUPSJQSQ-UHFFFAOYSA-N 320.349 -0.337 30 20 DBED C#CCCN1CCCO[C@@H](CNC(=O)CNC(=O)C2CC2)C1 1149281849 QWDNNGKWBHIELE-AWEZNQCLSA-N 307.394 -0.257 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CN(CC(=O)NC2CC2)CCCO1 1149409507 UTQQSDJCEOLBIR-YPMHNXCESA-N 308.382 -0.368 30 20 DBED C#CCNC(=O)CNCCNC(=O)C[C@@H](C)n1nc(C)cc1C 1151130594 XSELIFAMDLSRTA-CQSZACIVSA-N 319.409 -0.094 30 20 DBED CCN(CCCN1C(=O)CNC1=O)[C@H](C)CNC(=O)[C@@H](C)C#N 1152412700 CNFWDFDRQJMLMC-NWDGAFQWSA-N 323.397 -0.085 30 20 DBED C=CCO[C@H](C)C(=O)NCCNCC(=O)Nc1cnccn1 1153135307 QAFLIUQNRJVTLM-LLVKDONJSA-N 307.354 -0.288 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@@H](C)C1CCOCC1 1153875656 FHEQBJODIMKCFU-STQMWFEESA-N 309.410 -0.107 30 20 DBED CCN(CC#CCOC)[C@H](C)CNC(=O)[C@H]1CN(C)C(=O)N1 1154620262 FYVRMLFLHYICAC-CHWSQXEVSA-N 310.398 -0.514 30 20 DBED C=CCNC(=O)NC(=O)CNCCCNC(=O)c1cc[nH]c1 1158604065 VRVJYBWXSUHDQT-UHFFFAOYSA-N 307.354 -0.264 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)c1cc2n(n1)CCO2 1160016155 QBFPMSACYPULQQ-LLVKDONJSA-N 321.381 -0.324 30 20 DBED C#CCNC(=O)CNCCCNC(=O)Cn1nc(C)cc1C 1162129417 DKIMUAZBYVVACL-UHFFFAOYSA-N 305.382 -0.655 30 20 DBED C=CCNC(=O)NC(=O)CNCCCNC(=O)[C@H]1CC12CC2 1167303135 HNGYPCGUAAHPCM-LLVKDONJSA-N 308.382 -0.106 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1cn(CC2CC2)nn1 1169530923 JVDNIORXIOFUQA-UHFFFAOYSA-N 318.381 -0.853 30 20 DBED C=C(Cl)CNCCCNC(=O)CC[C@@H]1NC(=O)NC1=O 1175575666 VRZNLCRJDMWPQH-VIFPVBQESA-N 302.762 -0.177 30 20 DBED C[C@@H](NC(=O)C1CCC1)C(=O)NCCCNCC(=O)NCC#N 1177486822 HHGFWKCMCGOJHJ-LLVKDONJSA-N 323.397 -0.973 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](NCc2nnc(C)o2)[C@@H]1C 1178508761 SKCHJMRGKCPOOL-JQWIXIFHSA-N 319.365 -0.403 30 20 DBED C=CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)CCCC(N)=O)[C@H]1C 1180296364 YZYJLZROANPYAY-AVGNSLFASA-N 324.425 -0.088 30 20 DBED CCOc1cc(C(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)[nH]n1 1183526147 BGGPOUFXQIVXPI-SNVBAGLBSA-N 320.353 -0.748 30 20 DBED C=CCOCCN[C@@H]1CCN(C(=O)CCCS(N)(=O)=O)C1 1185289464 OYMISGKMUBDZRT-GFCCVEGCSA-N 319.427 -0.552 30 20 DBED Cn1nnc(CN2C[C@@H]3CCN(C(=O)CSCC#N)[C@@H]3C2)n1 1186917156 ICZROSLJZNNQAZ-WDEREUQCSA-N 321.410 -0.500 30 20 DBED COCC#CCN1C[C@@H]2CCN(C(=O)[C@H]3CC(=O)N(C)C3)[C@@H]2C1 1188094898 DBJKBKBCOLBGPQ-SOUVJXGZSA-N 319.405 -0.353 30 20 DBED C#CCOCCC(=O)N1CC[C@H](N(C)Cc2cnn(C)n2)C1 1190121759 RFNSVJFDLMPZKY-AWEZNQCLSA-N 305.382 -0.112 30 20 DBED C#CCOCCC(=O)N1CC[C@H](N(C)[C@@H]2CCC(=O)NC2=O)C1 1190129224 RLLMECSOARKGBA-QWHCGFSZSA-N 321.377 -0.636 30 20 DBED Cc1cnc(CN2C[C@@H](O)[C@H](NC(=O)CSCC#N)C2)nc1 1191161755 KBAJEVWRHOQNAR-VXGBXAGGSA-N 321.406 -0.297 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(Cc2cncc(OC)n2)C[C@H]1O 1191776948 AJQNIXLLBKQXCW-CHWSQXEVSA-N 322.365 -0.651 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@@H]1CCN(C(=O)c2n[nH]cc2F)C1 1192218901 YDAZRKDJRNKXNY-GHMZBOCLSA-N 321.356 -0.167 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(Cc2cnc(C)cn2)C[C@H]1O 1192540716 SACATCHOUOVDIY-IIAWOOMASA-N 320.393 -0.227 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)CO[C@@H]2CCOC2)C1 1192940620 QDKKOQLBGHKRJE-MGPQQGTHSA-N 314.382 -0.844 30 20 DBED C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)CNC(=O)NC)C1 1193536266 XMJACVRQPKIRQJ-CHWSQXEVSA-N 312.414 -0.177 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)COCc2ccnn2C)C1 1194045627 AWQHUCOJRKUGQG-ZIAGYGMSSA-N 308.382 -0.326 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)[C@H](CCC)S(N)(=O)=O)C1 1194976094 QVTLISWKZBSTLO-UTUOFQBUSA-N 319.427 -0.819 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCCN(CCS(C)(=O)=O)CC1 1195652544 RFUZSHHQKKXBRB-CQSZACIVSA-N 318.439 -0.108 30 20 DBED C=CCNC(=O)[C@H](C)N1CCCN(C(=O)Cn2nccn2)CC1 1195981667 CDUQASKDGZGAAH-ZDUSSCGKSA-N 320.397 -0.497 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCCN(C(=O)C(C)(C)C(N)=O)CC1 1196215586 OJJPWNLYLGQOAZ-GFCCVEGCSA-N 324.425 -0.277 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)c2cc(=O)n(C)cn2)CCCO1 1200730986 XKYPVMOROUUJRY-CYBMUJFWSA-N 318.377 -0.376 30 20 DBED N#CCNC1CCN(C(=O)CNC(=O)c2ccccn2)CC1 1203847104 MRNBXMUWAOXBGZ-UHFFFAOYSA-N 301.350 -0.084 30 20 DBED COCC#CCNCC1CCN(C(=O)[C@@H](C)NC(C)=O)CC1 1204400827 MUMIEAZRQLLGJL-CYBMUJFWSA-N 309.410 -0.011 30 20 DBED COCC#CCNCC1CCN(C(=O)c2cn(C)nn2)CC1 1205170493 FGQHJTIBHXAEDJ-UHFFFAOYSA-N 305.382 -0.093 30 20 DBED CCO[C@H](CC)C(=O)N1C[C@@H](NCC(=O)NCC#N)[C@H](C)C1 1214255535 ZLZONWLIYUIBEE-JHJVBQTASA-N 310.398 -0.122 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)CC2(O)CCC2)C[C@H]1C 1214574017 WXFQNENKUDVXCY-HZSPNIEDSA-N 321.421 -0.134 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@@H](NCCS(C)(=O)=O)[C@H](C)C1 1214602008 JLQJIZBMCJUGKO-JHJVBQTASA-N 316.423 -0.494 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2c(C)noc2C)C1 1219163365 QJVNOWPHDGVWEE-NEPJUHHUSA-N 322.365 -0.631 30 20 DBED COCCOCCN1C[C@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 1219418330 XCKXHZGRZGWNBV-KGLIPLIRSA-N 322.365 -0.676 30 20 DBED CC(C)(C)C#CC(=O)N[C@@H]1CN(CC(=O)N2CCCC2)C[C@@H]1O 1219589800 JFUIAYCFFLGIHY-KGLIPLIRSA-N 321.421 -0.180 30 20 DBED CCC1(C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@@H]2O)CCC1 1220192681 YHQFCBRNPBJSGU-NEPJUHHUSA-N 308.382 -0.632 30 20 DBED C=C[C@](C)(O)CC(=O)N1C[C@H]2CCN(CCOCCO)C[C@H]21 1221518121 UKXKHWHLWWWHBG-FMKPAKJESA-N 312.410 -0.145 30 20 DBED C=CCN1CC[C@@H]2CCN(C(=O)CNC(=O)CNC(C)=O)C[C@@H]21 1223012426 CDVKYVVMCVVFNS-KGLIPLIRSA-N 322.409 -0.653 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)[C@@H]2CO[C@@H](C)C2)CC1 1223654323 LIWARMNFGFPNNI-ZFWWWQNUSA-N 321.421 -0.011 30 20 DBED COCC#CCN1CCC(NC(=O)c2nnn(C)c2C)CC1 1226707877 ISKPLVKIJRVMLP-UHFFFAOYSA-N 305.382 -0.032 30 20 DBED C#CCNC(=O)CC(=O)N(C)C[C@@H]1CCN1Cc1ccnn1C 1233808936 FWHPXKDSUVPKPD-AWEZNQCLSA-N 317.393 -0.408 30 20 DBED C=CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)c1cnn(CC)n1 1234061058 WRDIITNGQWBYQY-GFCCVEGCSA-N 320.397 -0.254 30 20 DBED CC(C)C#CC(=O)N(C)C[C@@H]1CCN1[C@H]1CCC(=O)NC1=O 1234160560 IFUGUVMVVXVQBC-STQMWFEESA-N 305.378 -0.016 30 20 DBED C#CCC[C@H](O)CNC(=O)C(=O)Nc1ccn([C@@H](C)COC)n1 1256560770 UGEDIYSMRNREOL-RYUDHWBXSA-N 322.365 -0.081 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 1265910701 LDGUVWCHLSMNLI-ZDUSSCGKSA-N 306.410 -0.589 30 20 DBED C[C@@H](CC(N)=O)C(=O)N1CCCC[C@H]1CNCC(=O)NCC#N 1266874560 NOWJCFWWMDUIJR-RYUDHWBXSA-N 323.397 -0.892 30 20 DBED N#C[C@]1(NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)CCSC1 1318343467 YQMTYPQXYBKVDR-GFCCVEGCSA-N 304.335 -0.413 30 20 DBED C=CCOC[C@H](NC(=O)C[C@H]1CCS(=O)(=O)C1)C(=O)OC 1322484643 MHABZADJJOKRAY-MNOVXSKESA-N 319.379 -0.328 30 20 DBED C[C@H](O)CCN(C)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1322700926 SLARQRDINHPILY-AGKQBQDBSA-N 310.354 -0.075 30 20 DBED Cc1c(C#N)cccc1NC(=O)C(=O)NN1CC(=O)NC1=O 1323272486 DEOVVCAFMXXWQE-UHFFFAOYSA-N 301.262 -0.612 30 20 DBED C=C(C)COCCNC(=O)C(=O)NCC(C)(C)C(=O)NCC 1323416914 DWVVMRMHKFOOEA-UHFFFAOYSA-N 313.398 -0.026 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)NC[C@@H]1CC(=O)N(C2CC2)C1 1324534734 IJSJTAPFLZDFID-WDEREUQCSA-N 309.366 -0.569 30 20 DBED C=CCN(C(=O)c1ccc(C(N)=O)nc1)[C@@H]1CCS(=O)(=O)C1 1324553830 VWCQSCPMGPSXKD-LLVKDONJSA-N 323.374 -0.004 30 20 DBED C#CCCCC(=O)N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 1324606471 CMVKMSIWLCITIE-OLZOCXBDSA-N 314.407 -0.908 30 20 DBED C=C(C)COCCNC(=O)C(=O)N[C@H]1CCc2nc(C)nn2C1 1326378308 UCLNOYPZGWNAOV-LBPRGKRZSA-N 321.381 -0.274 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@H]1CCS[C@@H]1C 1326438458 OICKRTNGAVPWKA-ZJUUUORDSA-N 320.436 -0.286 30 20 DBED CN1CCC[C@H](NC(=O)C(=O)NCc2ccc(C#N)cc2)C1=O 1332585113 ZBGDOCSYNAKQLX-ZDUSSCGKSA-N 314.345 -0.089 30 20 DBED C=CCOCCn1nnnc1N1CC[C@H]2NC(=O)CC[C@H]2C1 1334239378 RRFLANJAKCZDGN-NWDGAFQWSA-N 306.370 -0.019 30 20 DBED C=CCC1(O)CCN(C(=O)C(=O)NCCn2ccnc2)CC1 1338404145 OPQFHSYXFYJMSP-UHFFFAOYSA-N 306.366 -0.071 30 20 DBED CC(=NNCC(=O)O)c1c(C)nn(CCS(C)(=O)=O)c1C 1347634407 NXYNMSYRSOBJQS-UHFFFAOYSA-N 316.383 -0.057 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N2CC(=O)N[C@H]3CCCC[C@H]32)CCO1 1348209444 YXRXCVPPIUFILX-GRYCIOLGSA-N 320.349 -0.993 30 20 DBED N#C[C@]1(F)CCN(C(=O)C(=O)N2CCSC[C@@H]2CCO)C1 1348367591 SJZBBKYPHJWPCQ-GXFFZTMASA-N 315.370 -0.223 30 20 DBED Cn1c(=O)[nH]c(N2CCC[C@@H](N3CCCC3=O)C2)c(C#N)c1=O 1365217592 VYZWQOOBTCMYSG-SNVBAGLBSA-N 317.349 -0.464 30 20 DBED C=C(Cl)CNC[C@@H](O)CNC(=O)[C@H]1CCc2nncn2C1 1367627743 GRWVRBRDMDMWGB-WDEREUQCSA-N 313.789 -0.340 30 20 DBED CCN(CCC#N)C(=O)CN1CC(NC(=O)c2cn[nH]c2)C1 1373418133 KGJOMASPSHEWRS-UHFFFAOYSA-N 304.354 -0.414 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](C)CNC(=O)c1cnn(CCN(C)C)c1 1389268713 YBSHQWRMGFGWGQ-NWDGAFQWSA-N 320.397 -0.161 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@@H](O)CNC(=O)C2=COCCC2)c1 1392048380 YFCWFDBVNQQDMN-LBPRGKRZSA-N 318.333 -0.212 30 20 DBED N#Cc1cccc(CN2CC[C@H]2CNC(=O)Cn2cnnn2)c1 1392809967 FYURWQSAHXXSTH-AWEZNQCLSA-N 311.349 -0.065 30 20 DBED C[C@H](C#N)C(=O)NCCN(C)C(=O)[C@H]1CCc2nnnn2CC1 1398016587 UCQPNISJGBYPRW-MNOVXSKESA-N 319.369 -0.640 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@@H](O)CNCc2cnsn2)c1 1401515538 XZIOULZZGLVHRO-JTQLQIEISA-N 306.351 -0.382 30 20 DBED C[C@@H](CNC(=O)[C@H](C)C#N)NC(=O)c1cnc2[nH]nnc2c1 1416907988 WRPXRULSJFGDDJ-SFYZADRCSA-N 301.310 -0.253 30 20 DBED CC(C)(CNC(=O)CCn1cc(C#N)c(O)nc1=O)OCCO 1417888825 YHQKQOUJAPZGKR-UHFFFAOYSA-N 324.337 -0.886 30 20 DBED CN(C[C@H](O)CNCC(=O)N1CCC1)C(=O)c1cc(C#N)c[nH]1 1425987143 MFHJSQZQIAOUAT-GFCCVEGCSA-N 319.365 -0.859 30 20 DBED C[C@H](C(=O)NC[C@@H]1CC(=O)N(C2CC2)C1)n1cnc(C#N)n1 1433850370 HQNICAIWXJKDHF-ZJUUUORDSA-N 302.338 -0.162 30 20 DBED N#Cc1ccncc1C(=O)NCCc1nnc2n1CCNC2=O 1434360816 GLKMBEBRSXNHBX-UHFFFAOYSA-N 311.305 -0.739 30 20 DBED CSc1nc(O)c(C(=O)N2CCO[C@@H](C(N)=O)C2)cc1C#N 1442516065 ANZYRUOCHKGWIF-SECBINFHSA-N 322.346 -0.293 30 20 DBED C[C@@H](CNC(=O)c1cnn(C)n1)N(C)C(=O)c1ccc(C#N)[nH]1 1450024545 UYTBGCOIKQZAGY-VIFPVBQESA-N 315.337 -0.095 30 20 DBED C=C(Cl)CNC[C@H](O)CNC(=O)c1ccc(OC)nn1 1482783765 VQWXYJICAMVFSQ-VIFPVBQESA-N 300.746 -0.082 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCN(C[C@H](O)COC)C2)nn1 1566675141 OFBZIWGOWMZSJT-RYUDHWBXSA-N 309.370 -0.725 30 20 DBED C[C@@H](CS(C)(=O)=O)N(C)c1cnc(C#N)c(-c2nn[nH]n2)n1 1575184728 BENMMKWTZDOANT-ZETCQYMHSA-N 322.354 -0.602 30 20 DBED C#CCN(CC(=O)O)S(=O)(=O)C[C@H](OC)C1CCOCC1 1588425000 AMERQHIMIWRRCR-LBPRGKRZSA-N 319.379 -0.222 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)[C@@H]2C[C@@H]2C(=O)O)CC1 1588483548 AFVYFNDUSDJNLB-NEPJUHHUSA-N 307.350 -0.963 30 20 DBED C=CCOC[C@H](NC(=O)C[C@H]1CCCS1(=O)=O)C(=O)O 1588854287 UQNUOPJONPHBKI-ZJUUUORDSA-N 305.352 -0.274 30 20 DBED CC#CCCCC(=O)N1CC(O)(CNC(=O)[C@H]2C[C@H]2C(=O)O)C1 1588924803 FLTOGISTTGUDHL-NWDGAFQWSA-N 322.361 -0.410 30 20 DBED CC(C)(C#N)CS(=O)(=O)NC(=O)Cn1cc(C(=O)O)cn1 1589557285 ANLFNTDFHLLPJG-UHFFFAOYSA-N 314.323 -0.423 30 20 DBED CNC(=O)[C@@]1(C)CCN(c2cnc(-c3nn[nH]n3)c(C#N)n2)C1 1591202145 OFDRUYIGELJDFD-ZDUSSCGKSA-N 313.325 -0.509 30 20 DBED N#CC1(NC(=O)Cn2cc(-c3nn[nH]n3)nn2)CCCCC1 1592670442 ANSZPVHMPVQNIE-UHFFFAOYSA-N 301.314 -0.199 30 20 DBED N#CCNC[C@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCO1 1592678829 SMNWVRUDIYUQKV-JTQLQIEISA-N 316.325 -0.851 30 20 DBED Cn1c(CC#N)nnc1SCCS(=O)(=O)CC(=O)O 1594517583 DNNLXOCSUBTSQB-UHFFFAOYSA-N 304.353 -0.527 30 20 DBED C=CCn1cc(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[nH]2)nn1 1602882715 RZWOFXCGYVMMOV-UHFFFAOYSA-N 311.269 -0.509 30 20 DBED C[C@H](C(=O)N=c1cc[nH]cc1C#N)n1cnc(-c2nn[nH]n2)n1 1603029725 FYDDWYGJOYVOFC-SSDOTTSWSA-N 310.281 -0.654 30 20 DBED Nc1c(-c2nn[nH]n2)cnn1C(=O)c1cccc(C#CCO)c1 1606446254 KVAQIGGWTUXVJS-UHFFFAOYSA-N 309.289 -0.322 30 20 DBED Cc1nn(CCc2cn(CC(=O)O)nn2)c(=O)c(C#N)c1C 1608011105 FMQATYURWPQCHV-UHFFFAOYSA-N 302.294 -0.349 30 20 DBED O=C1C=CC=N/C1=C(\O)NCCNC(=O)C12CC(C(=O)O)(C1)C2 1610883978 KITYNQYCTIQKMP-KHPPLWFESA-N 319.317 -0.116 30 20 DBED C=C[C@@](C)(O)CC(=O)N1C[C@@H]2CN(C[C@@H](O)COC)C[C@@H]2C1 1717009854 JWOCFKGTUNMZCE-HLPPOEQASA-N 312.410 -0.289 30 20 DBED CN(CC(=O)N1CCC[C@@H](CNCC#N)C1)S(C)(=O)=O 1752798933 ISEOEECKKXFXSB-NSHDSACASA-N 302.400 -0.770 30 20 DBED C#CCNC(=O)CN1CC[C@H](CNC(=O)c2ccncn2)C1 1753135914 QGYZBJKDZVTJCL-GFCCVEGCSA-N 301.350 -0.722 30 20 DBED CC(C)(C)C(=O)C(=O)N1C[C@@H]2CC[C@H](C1)N2CC(=O)NCC#N 1753304424 DDGRPLNETYRGDA-TXEJJXNPSA-N 320.393 -0.083 30 20 DBED C#CCN1CC[C@@H](N(CCC)C(=O)[C@H](C)NS(C)(=O)=O)C1 1753329154 VVOKYSUONGXHAV-QWHCGFSZSA-N 315.439 -0.130 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)COCC2CC2)C[C@@H]1C 1753771462 ZVIXZKIGEUKZSO-DZGCQCFKSA-N 321.421 -0.011 30 20 DBED COCC#CCN[C@@H](CNC(=O)[C@H]1CCCNC1=O)C(C)C 1753832952 XWSFEOOLSHSABE-KBPBESRZSA-N 309.410 -0.107 30 20 DBED C#CCN1CCC(C(=O)N[C@H](C)CCN[C@@H](C)C(N)=O)CC1 1754025710 PBMYFTFFZIVDJF-OLZOCXBDSA-N 308.426 -0.310 30 20 DBED C=C(Br)CNC/C=C\CNC(=O)c1nnn(C)n1 1754158974 KKBDTGSNNBWYRH-ARJAWSKDSA-N 315.175 -0.006 30 20 DBED CN1CCC[C@@H](N2CC(O)(CNC(=O)C#CC(C)(C)C)C2)C1=O 1754767094 FGQQVWPBCOZHGH-CYBMUJFWSA-N 321.421 -0.180 30 20 DBED C=CCN1CC(O)(CNC(=O)c2ccc(-n3cnnn3)cn2)C1 1754770877 CSTUFVHERMFBCJ-UHFFFAOYSA-N 315.337 -0.980 30 20 DBED C=CCOCC(=O)N1C[C@@H]2CN([C@H](C)c3nnnn3C)C[C@@H]2C1 1754840353 XHEPDBHEBPPFJB-UPJWGTAASA-N 320.397 -0.136 30 20 DBED Cn1cnnc1CNCCN(CCO)C(=O)c1c[nH]c(C#N)c1 1754880618 HJDQCZPVTKAFOE-UHFFFAOYSA-N 317.353 -0.761 30 20 DBED C#CCNC[C@H]1CC[C@H](NC(=O)c2nnc(O)nc2O)CC1 1754953894 QAOIZEVHICVTIL-MGCOHNPYSA-N 305.338 -0.206 30 20 DBED COCC#CCN1CCOC[C@@H]1CNC(=O)c1n[nH]cc1C 1754968226 ZEVXPRKIIARLRV-ZDUSSCGKSA-N 306.366 -0.201 30 20 DBED C=CCNC(=O)CNCC1CC(NC(=O)[C@]2(C)CCNC2=O)C1 1755218949 XFWMRMSDRDDIIA-ZEPSKSRBSA-N 322.409 -0.701 30 20 DBED C=CCOCCN[C@@H]1CN(C(=O)Cn2ncnn2)CC1(C)C 1755759687 WFJLBNZRCHQZJA-GFCCVEGCSA-N 308.386 -0.298 30 20 DBED C=CCCCC(=O)N[C@@H](C)[C@@H](C)NC(=O)CN1C(=O)CNC1=O 1755979341 AWAGZQMLYPJKFN-WDEREUQCSA-N 324.381 -0.096 30 20 DBED C=CCOCC(=O)N[C@@H](C)C1CN(C(=O)Cn2cncn2)C1 1756129449 ALDMVMIWJDGOHD-NSHDSACASA-N 307.354 -0.556 30 20 DBED C#CCCCCC(=O)N(C)C[C@H](O)CNC(=O)[C@H]1CCC(=O)N1 1756658848 AYYUMAIPFGOHDQ-CHWSQXEVSA-N 323.393 -0.606 30 20 DBED CC(C)C#CC(=O)N(C)C[C@H](O)CNC(=O)[C@@]1(F)CCOC1 1756661759 FAPCXUKWKIXIGW-IUODEOHRSA-N 314.357 -0.290 30 20 DBED COCCN(CCNC(=O)c1cc[n+]([O-])cc1)C(=O)[C@@H](C)C#N 1756723475 VMNIMMLYCASTKB-LBPRGKRZSA-N 320.349 -0.316 30 20 DBED CC#CCCCC(=O)N[C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@H]1O 1757025854 GXZKMUNHEMUIAY-VXGBXAGGSA-N 323.393 -0.621 30 20 DBED CN1CC[C@H](C(=O)N[C@@H]2CN(C(=O)C#CC(C)(C)C)C[C@@H]2O)C1 1757180115 HYEMTRQCSBTDHO-MJBXVCDLSA-N 321.421 -0.325 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cccc(O)n1)CCO2 1783048349 ZDWDASJCYDSERR-INIZCTEOSA-N 315.329 -0.136 30 20 DBED N#CCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCOC3)C2)C1 1784712598 DDALTOLJIVCJLJ-IUODEOHRSA-N 307.350 -0.234 30 20 DBED C=CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnnn1C 1794230883 AUVYURMJFMJYFH-GNXNZQSNSA-N 319.365 -0.406 30 20 DBED CN(C)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC#N)C2 1795434123 ZUVITEMSLQQYFG-JJLQDPRZSA-N 308.382 -0.559 30 20 DBED N#CC1(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H](N)CN)CCC1 1796784296 KIGDTWCAHDPFRP-RNJOBUHISA-N 319.409 -0.396 30 20 DBED N#Cc1c[nH]c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C(O)O)C3)c1 1799417697 DXRGFQPUEHCZRU-JGPRNRPPSA-N 318.333 -0.551 30 20 DBED N=C(N)NCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C#CC1CC1 1847747053 FAMSQANULYZKFM-RYUDHWBXSA-N 303.366 -0.915 30 20 DBED C=C(Cl)COC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 14674807 ACNLFAFSBXLYEB-UHFFFAOYSA-N 312.713 -0.271 30 20 DBED N#Cc1cccc(NC(=O)C(=O)N[C@@H]2CCS(=O)(=O)C2)c1 48589308 LPGPMDMEDQQIMP-LLVKDONJSA-N 307.331 -0.200 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)c2cnn(C)c2C)CC1 54482975 NIOGEVZOETYTHK-UHFFFAOYSA-N 305.382 -0.211 30 20 DBED C#CCN1CCN(C(=O)CN2CCO[C@@H]([C@@H]3CCCO3)C2)CC1 89155442 NQOJKBDIRGEGNB-JKSUJKDBSA-N 321.421 -0.356 30 20 DBED C#CCOc1ccc(CN2CCN3C(=O)C(=O)NC[C@@H]3C2)cc1 91866522 WQZKYQQBCSREKG-CQSZACIVSA-N 313.357 -0.159 30 20 DBED CCN1CCC[C@H]1CN/C(N)=N/CC1CN(S(C)(=O)=O)C1 186886131 QUKYRHWFXQCAML-LBPRGKRZSA-N 317.459 -0.734 30 20 DBED C#CC(C)(C)NC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 265221860 NUKCLNLCAONUNT-ZDUSSCGKSA-N 307.394 -0.305 30 20 DBED COCCn1cc(S(=O)(=O)N2CCN(CC#N)CC2)cn1 269583265 AIWGSLCBWDFFFK-UHFFFAOYSA-N 313.383 -0.641 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@H](C)[C@H]2CO)C1=O 275942530 CFEBRRDRXXVGKU-NXEZZACHSA-N 309.322 -0.808 30 20 DBED COCC(=O)N1CCN(S(=O)(=O)c2cccnc2C#N)CC1 277050535 QCVYQUCCKCGVFL-UHFFFAOYSA-N 324.362 -0.567 30 20 DBED CCOC(=O)CO/N=C(/C(=O)NCC(=O)CC)c1cc[nH]n1 278880786 YMRGAEXXXVZTSK-SFQUDFHCSA-N 310.310 -0.211 30 20 DBED COC[C@H](Nc1c(C#N)c(=O)n(C)c(=O)n1C)[C@@H]1CCCO1 278991109 DTSHDGZRBZUHKD-QWRGUYRKSA-N 308.338 -0.438 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)NCC(=O)NCC(F)F)cc1 280268306 QQMYEVXNUROPPG-UHFFFAOYSA-N 324.287 -0.214 30 20 DBED C#CCN(CC#N)C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C 281038879 DCQVEJHHBIQODP-UHFFFAOYSA-N 311.301 -0.769 30 20 DBED C#CCCS(=O)(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1 288889383 PFATZPKFHZXPIO-UHFFFAOYSA-N 322.390 -0.344 30 20 DBED Cc1cnn([C@H]2CCN(c3c(C#N)c(=O)n(C)c(=O)n3C)C2)c1 290934393 ZFRNGABAXPLTAZ-NSHDSACASA-N 314.349 -0.088 30 20 DBED C#CCO[C@@H](C)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C 294460602 NUYJUAZAIZKTMI-VIFPVBQESA-N 316.317 -0.391 30 20 DBED C#CCN(C(=O)[C@H]1CC[C@@H](C(=O)O)O1)[C@H]1CCS(=O)(=O)C1 328430836 MTAFTQHBYSOXDA-AXFHLTTASA-N 315.347 -0.733 30 20 DBED CN(C)C(=O)Cn1nc2n(c1=O)CCN([C@@H]1CC[C@@H](C#N)C1)C2 328841349 OSGDAUCWNKOPFM-VXGBXAGGSA-N 318.381 -0.359 30 20 DBED Cn1c(=O)c2cc(/C(O)=N/[C@H]3CN=C(O)C3)cnc2n(C)c1=O 329413259 DRPFSBYHSDGPSV-MRVPVSSYSA-N 317.305 -0.334 30 20 DBED C[C@H](C/N=C(/O)NC[C@H]1CCCS1(=O)=O)N1CCOCC1 330074833 LJCBLHPTMHXCCV-VXGBXAGGSA-N 319.427 -0.212 30 20 DBED C[C@@H]1CCN(/C(O)=N/C[C@H]2CN(C)CCO2)CCS1(=O)=O 330227570 CAIAMTAGGWVHTN-NEPJUHHUSA-N 319.427 -0.260 30 20 DBED CNC(=O)[C@@H]1CN([C@H](C)C(=O)N/C(O)=N/C(C)C)CCO1 330812168 LXTHRBCWOOXVMA-ZJUUUORDSA-N 300.359 -0.740 30 20 DBED COC(=O)[C@@H]1CCN(/C(O)=N/CCNS(C)(=O)=O)C[C@@H]1C 331026278 VBUGGURGFOAKOI-VHSXEESVSA-N 321.399 -0.419 30 20 DBED Cc1cc(N=C(O)C(=O)N[C@@H]2CC(=O)N(C(C)C)C2=O)n(C)n1 331038348 BFUFWZNXOKQDGL-SECBINFHSA-N 321.337 -0.031 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N(C)[C@@H](C)CS(C)(=O)=O 332509224 WUQOETPZTHRKSF-ZJUUUORDSA-N 311.429 -0.312 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CC(=O)N(CC2CC2)C1 337178022 KKNXXXJWCVEAHJ-UHFFFAOYSA-N 300.384 -0.022 30 20 DBED COC(=O)CN(CC#N)C(=O)CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O 340560787 ZSPZYULZVSEDSV-QWRGUYRKSA-N 319.317 -0.537 30 20 DBED CNC(=O)[C@@H](C)NC(=O)C(=O)Nc1cc(C#N)ccc1OC 341964436 JATLECYYIVTIQX-MRVPVSSYSA-N 304.306 -0.244 30 20 DBED N#CCNC(=O)CNC(=O)[C@@H]1COCCN1CC(F)(F)F 343508106 OXYACRJAZCHHSH-QMMMGPOBSA-N 308.260 -0.995 30 20 DBED N#CCNC(=O)CNC(=O)NCc1ccnc(-n2cccn2)c1 344024885 ZOCSUBHOMSPCAI-UHFFFAOYSA-N 313.321 -0.294 30 20 DBED N#Cc1cnn(-c2ccc(C(=O)N[C@@H]3CNC(=O)C3)cc2)c1N 354149462 PIJGRZWHZJPAFW-NSHDSACASA-N 310.317 -0.056 30 20 DBED CCOC1CC(O)(CNC(=O)NCCn2cnc(C#N)n2)C1 357861750 LYYURZMQLULZHD-UHFFFAOYSA-N 308.342 -0.621 30 20 DBED COC(=O)[C@H]1CN([C@H](C(N)=O)c2ccc(C#N)cc2)CCO1 360287420 UTBNBMCKAIXUTA-OLZOCXBDSA-N 303.318 -0.042 30 20 DBED C=CCn1cc(CNC(=O)CCNC(=O)[C@H]2CCCN2)nn1 424214083 WMBFEWXLFGMOFG-GFCCVEGCSA-N 306.370 -0.661 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)Cc2c(C)n[nH]c2C)CC1 491494529 CZIZONIQXBMCLS-UHFFFAOYSA-N 317.393 -0.537 30 20 DBED CCO[C@H]1COCC[C@H]1NC(=O)NCCn1cnc(C#N)n1 553747454 MCMOAPMZOGWQEO-MNOVXSKESA-N 308.342 -0.357 30 20 DBED CC(C)NC(=O)C(=O)N1CCN(c2ccnc(C#N)n2)CC1 564586676 XIGATLXXCNMVSY-UHFFFAOYSA-N 302.338 -0.479 30 20 DBED CN[C@@H]1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 565659305 XXYPWXYUGQHYNY-GFCCVEGCSA-N 322.390 -0.343 30 20 DBED N#Cc1ccc(F)c(CS(=O)(=O)NC[C@@H](O)C(=O)O)c1 579979472 YKIBIYJWKIHGKA-SNVBAGLBSA-N 302.283 -0.438 30 20 DBED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CC[C@@H](CO)C2)c1 589464654 UQRAOLJXNVTUOR-GFCCVEGCSA-N 323.374 -0.323 30 20 DBED N#CCC1CCN([C@H]2CC(=O)N(CCOCCO)C2=O)CC1 589542166 RYCMOZMLMDRMJS-ZDUSSCGKSA-N 309.366 -0.252 30 20 DBED CC(C)[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1cccc(C#N)n1 592290292 CGALSBDRROHYPU-GFCCVEGCSA-N 315.333 -0.125 30 20 DBED CC1(C)CN(S(=O)(=O)CCCCS(=O)(=O)NCC#N)C1 594638763 PWMYXXLADQSXIO-UHFFFAOYSA-N 323.440 -0.119 30 20 DBED CON1CCC(NC(=O)C(=O)N2CCN(CCC#N)CC2)CC1 602284539 DJDZAEBQQBUVES-UHFFFAOYSA-N 323.397 -0.814 30 20 DBED C[C@H](C#N)CNC(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 611624037 QHBNPOJZWIJAFU-ZIAGYGMSSA-N 309.414 -0.148 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H]2COC)C1=O 674528161 KTWVDUPJYLIEBY-SNVBAGLBSA-N 309.322 -0.399 30 20 DBED Cn1cncc1C=NNC(=S)NCCCN1CCOCC1 755521721 RWLNZJPQWPKWDV-UHFFFAOYSA-N 310.427 -0.060 30 20 DBED CC(=NNc1ccc(C(N)=O)nn1)c1cc(C(N)=O)n(C)c1 756839180 SVWYGIKFKAZRAB-UHFFFAOYSA-N 301.310 -0.151 30 20 DBED C#CCN1CCN(C(=O)CN2CCO[C@H]([C@H]3CCCO3)C2)CC1 756898525 NQOJKBDIRGEGNB-CVEARBPZSA-N 321.421 -0.356 30 20 DBED C#CCNS(=O)(=O)N1CCN(CC(F)(F)C(F)F)CC1 761026460 ZISWSBXPERHFRX-UHFFFAOYSA-N 317.308 -0.028 30 20 DBED N#CCCCS(=O)(=O)NC(=O)Cn1cc([N+](=O)[O-])cn1 776122513 RFPLDQJOFWEGJU-UHFFFAOYSA-N 301.284 -0.459 30 20 DBED C=CCS(=O)(=O)CCNC(=O)c1ccc2c(c1)C(=O)NC2=O 783618729 VWDKWWJMLQUJQL-UHFFFAOYSA-N 322.342 -0.099 30 20 DBED C#CCOCCNS(=O)(=O)c1cc(C(=O)OC)n(C)c1 784454509 PEBXYNSLJHMTAX-UHFFFAOYSA-N 300.336 -0.260 30 20 DBED C#CCOCCNC(=O)C(=O)Nc1ccnn1-c1ccncc1 785165275 UDYPCZMKFHAEHX-UHFFFAOYSA-N 313.317 -0.028 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)NCCS(=O)(=O)CC 800044274 CJEHQZMALNLDLY-SNVBAGLBSA-N 311.429 -0.263 30 20 DBED CC(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1cn(CC(=O)O)nn1 833386515 LRUVQMZREBUHAZ-UWVGGRQHSA-N 305.342 -0.053 30 20 DBED COC(=O)c1cc(S(=O)(=O)N(CC#N)CC(=O)O)c(C)o1 833714839 YQMJCRHPSZXCGH-UHFFFAOYSA-N 316.291 -0.027 30 20 DBED CCN(CCC#N)C(=O)COC(=O)[C@H]1CCCS1(=O)=O 848861131 YOSNLJVOEZZLEN-SNVBAGLBSA-N 302.352 -0.131 30 20 DBED C#CCN(CC(=O)O)S(=O)(=O)Cc1ccc(C(=O)NC)cc1 849219668 TZAAFFDTJUHTLC-UHFFFAOYSA-N 324.358 -0.104 30 20 DBED C[C@H](NS(=O)(=O)N(C)[C@H](C)CC#N)[C@@H]1CN(C)CCN1C 919990968 SRXROGMXKXKPSB-AGIUHOORSA-N 317.459 -0.311 30 20 DBED C#CC[C@@H](CO)NC(=O)NC[C@H](N1CCOCC1)C(F)(F)F 922462039 JFEWLOKMVQVBLI-QWRGUYRKSA-N 323.315 -0.067 30 20 DBED C#CCN1CCC[C@H](NC(=O)Cn2cc(C(=O)OC)cn2)C1 923548804 AABCITDLLISFLI-ZDUSSCGKSA-N 304.350 -0.117 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC(=O)N1C 937555495 QFVGEOKDECEOQX-RHYQMDGZSA-N 304.350 -0.421 30 20 DBED Cn1ncc(C(=O)N[C@H]2CCN(C(=O)C#CC3CC3)C2)c1N 937857806 CTACFXKSFXQNER-NSHDSACASA-N 301.350 -0.254 30 20 DBED Cn1nncc1C(=O)N[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 937889110 NFWFKOZPYJZSBA-JTQLQIEISA-N 313.321 -0.341 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C2CN(Cc3nccn3C)C2)CC1 941345468 UFBGZJRGBRRXEA-CYBMUJFWSA-N 316.409 -0.092 30 20 DBED CN1CCOC[C@@H]1C(=O)N1CCOC2(CCN(CC#N)CC2)C1 949078748 QFRIMFVRROWNOP-CQSZACIVSA-N 322.409 -0.466 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@@H]2CNC(=O)c2cnnn2C)nc1 949699950 IYHDRTPCXRZHTC-GFCCVEGCSA-N 324.344 -0.164 30 20 DBED O=C(NC[C@@H]1CCN1C(=O)C#CC1CC1)[C@@H]1CCCS1(=O)=O 950264786 NJXASVBHNWZQBN-STQMWFEESA-N 324.402 -0.306 30 20 DBED CN(C(=O)c1ccc(C#N)[nH]1)C1CN(C(=O)c2nnn(C)n2)C1 954072566 AGMOCQNSFWWJIA-UHFFFAOYSA-N 314.309 -0.994 30 20 DBED C=C(C)CN1C[C@@H](O)[C@@H](CNC(=O)c2ccc3nn[nH]c3n2)C1 958121862 MXGAWKKGXSJOJW-GXFFZTMASA-N 316.365 -0.049 30 20 DBED CC#CCN1C[C@@H](O)[C@H](CNC(=O)c2conc2COC)C1 958585087 WGUMXYKFNACORR-BXUZGUMPSA-N 307.350 -0.133 30 20 DBED C#CCN1C[C@H](CNC(=O)c2ccnc3nc(C)nn23)[C@@H](O)C1 958587094 GARWUSFLTQJFEP-AAEUAGOBSA-N 314.349 -0.912 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2ccnn2C)C1 958725709 LLYSLNQDTFPHAW-USWWRNFRSA-N 305.338 -0.777 30 20 DBED Cn1nnc(C(=O)N2C[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]3C2)n1 961541566 RIRDLSQAMSFJTN-TXEJJXNPSA-N 314.349 -0.846 30 20 DBED C[C@H](C#N)C(=O)N1CC2(C[C@H](NC(=O)Cc3ncc[nH]3)CO2)C1 965785481 LVYLDRQPPCYAGZ-MNOVXSKESA-N 317.349 -0.402 30 20 DBED C=CCn1cc(C(=O)N[C@@H](C)C2CN([C@@H](C)C(N)=O)C2)nn1 970544700 QCVAFBQWTRQACM-UWVGGRQHSA-N 306.370 -0.612 30 20 DBED C=CCN1CC[C@@H](N[C@@H]2CCN(C(=O)Cn3ccnc3)C2)C1=O 970856569 NQFGFNRSJYGYEJ-ZIAGYGMSSA-N 317.393 -0.140 30 20 DBED C#CCN1C[C@H]2CC[C@H]1CN2C(=O)c1cn(CCOC)nn1 971366205 SFEYATFFPUQGDM-QWHCGFSZSA-N 303.366 -0.154 30 20 DBED N#CCN1C[C@H]2CC[C@H]1CN2C(=O)c1ccc(-n2cnnn2)cn1 971640877 RMCKMYPGCKBXDS-QWHCGFSZSA-N 324.348 -0.130 30 20 DBED N#Cc1cc(C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3CCC(=O)N3)C2)c[nH]1 973099365 BNHCIAZPHJVKDP-CKYFFXLPSA-N 315.333 -0.458 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CCOC2)C1 973932791 AUGKLTSIJFHGSG-KBXIAJHMSA-N 319.405 -0.116 30 20 DBED CN1CCN(CC(=O)N[C@@H]2CN(CC#N)CC2(C)C)CC1=O 974751229 KFDHINKTBAVBFU-GFCCVEGCSA-N 307.398 -0.889 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)C(N)=O 976748021 WGTNQQIRYAJGTR-LOWDOPEQSA-N 323.393 -0.004 30 20 DBED C[C@H]1[C@H](NCC#N)CCN1C(=O)Cc1ccc(C(N)=O)nc1 986416704 XCGXVYIDUYKHES-CMPLNLGQSA-N 301.350 -0.174 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC(NC(=O)C2=COCCO2)C1 990140665 NJYYGFNSKLYXAU-ZDUSSCGKSA-N 319.361 -0.701 30 20 DBED N#Cc1ccc(C(=O)NC2CN(C(=O)[C@H]3CC[C@@H]3C(N)=O)C2)[nH]1 990868078 IMUKHEXUPPWOSM-QWRGUYRKSA-N 315.333 -0.662 30 20 DBED C#CCN1CCC(C(=O)N[C@@H]2CCN(C(=O)CC)C[C@@H]2O)CC1 991550197 YUQVSQOSHFMKBP-CABCVRRESA-N 321.421 -0.180 30 20 DBED N#CCNC1CCN(C(=O)c2coc(S(N)(=O)=O)c2)CC1 996734336 XESWIBAUEBWVBO-UHFFFAOYSA-N 312.351 -0.355 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)CCn3cncn3)C2)nc1 997069159 MATKUMWYKDOWEN-UHFFFAOYSA-N 324.344 -0.315 30 20 DBED C#Cc1cncc(C(=O)NC2CN(C(=O)CCn3cncn3)C2)c1 999304660 QXOOMLQYJKUNHV-UHFFFAOYSA-N 324.344 -0.315 30 20 DBED C=CCN1CC[C@@H](N[C@H]2CCCN(C(=O)c3cnn[nH]3)C2)C1=O 999587459 MNQDIWKBKDBGCL-NWDGAFQWSA-N 318.381 -0.214 30 20 DBED C#CCN[C@@H]1CCCN(C(=O)Cn2nc3n(c2=O)CCCC3)C1 1000639635 WNHSXYXPUOUQDY-CYBMUJFWSA-N 317.393 -0.405 30 20 DBED CC#CCN1CCC(NC(=O)c2nccnc2C(N)=O)CC1 1004110213 DNRBDBNYWOMXLR-UHFFFAOYSA-N 301.350 -0.207 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCCN([C@H](C)C(=O)NC)C2)nn1 1008801279 VPNXEGOZAGIPBL-VXGBXAGGSA-N 320.397 -0.207 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C(=O)c2nnn(C(C)(C)C)n2)CC1 1011239410 PLKSCBVYZNDRDB-JTQLQIEISA-N 319.369 -0.128 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2C[C@@H](C)N(C(=O)CC(N)=O)C2)nn1 1012411601 HTWOBSQQHUIVIK-NXEZZACHSA-N 320.353 -0.941 30 20 DBED O=C1C[C@H](C(=O)NC2[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]23)CCN1 1012951877 FIBRXDPSNZJMDJ-JHJVBQTASA-N 315.373 -0.501 30 20 DBED C=CCCn1cc(C(=O)N[C@@H]2CCN([C@H](CC)C(N)=O)C2)nn1 1015820471 HKOXQYUTAQWJRF-DGCLKSJQSA-N 320.397 -0.078 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CCN(C(=O)c3cnn(C)c3N)[C@@H]2C1 1021434817 SQJJGLZDYHKSQG-JBLDHEPKSA-N 316.365 -0.165 30 20 DBED CC#CCN1CCC[C@@H](CNC(=O)c2cnc(O)n(C)c2=O)C1 1023528391 KUEWREKJNYJPKQ-LBPRGKRZSA-N 318.377 -0.049 30 20 DBED N#CCN1[C@H]2CC[C@H]1CN(C(=O)CCc1nnc(O)nc1O)C2 1029377377 LSUKDGVMPQDYQL-UWVGGRQHSA-N 318.337 -0.586 30 20 DBED C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)Cn1nc(C)ccc1=O 1032743966 NVUYFAOTJWNJHS-KBPBESRZSA-N 300.362 -0.140 30 20 DBED C#CCN1CCC2(CCN(C(=O)C3CS(=O)(=O)C3)CC2)C1 1035190695 CGUNMHNVXBZRSD-UHFFFAOYSA-N 310.419 -0.021 30 20 DBED CC#CCN1CCO[C@@H](CNC(=O)[C@@H]2COCCN2CC)C1 1035425295 UZQXXWVWZHNRTE-GJZGRUSLSA-N 309.410 -0.453 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCN1Cc1cnn(C)n1 1038366944 LAQANJHMZPUMDG-GJZGRUSLSA-N 316.409 -0.397 30 20 DBED CC(C)C#CC(=O)NC[C@]1(O)CCN(C(=O)C2=COCCO2)C1 1039664531 RUXLLPBJARANKK-MRXNPFEDSA-N 322.361 -0.386 30 20 DBED O=C(C#CC1CC1)NC[C@@]1(O)CCN(C(=O)c2ncccn2)C1 1039680499 HOUIXCQGLZIFTO-INIZCTEOSA-N 314.345 -0.417 30 20 DBED Cc1ccn(CC(=O)NC[C@@]2(O)CCN(C(=O)[C@H](C)C#N)C2)n1 1040940021 DKRPWRRCPAKTNG-ABAIWWIYSA-N 319.365 -0.569 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)c2cccc(C)n2)C1 1041517901 UJTMFGUOLIYUSV-UHFFFAOYSA-N 319.361 -0.104 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)[C@@H](OC)C2CC2)C1 1042039691 HQOANELYDRBFAS-ZDUSSCGKSA-N 312.366 -0.697 30 20 DBED C#CCCCCC(=O)NCC1(O)CN(C(=O)[C@H]2CCCN2C)C1 1042659038 XSWZAWRDCQXITK-CQSZACIVSA-N 321.421 -0.036 30 20 DBED CO[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1NC(=O)[C@@H]1CCOC1 1042779082 GEYGZBKADIAGAK-RAIGVLPGSA-N 317.349 -0.295 30 20 DBED CCn1ccc(C(=O)N2CC(O)(CNC(=O)C#CC(C)C)C2)n1 1042940339 MWWLJAQKSBHKBE-UHFFFAOYSA-N 318.377 -0.135 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)CN(C)C2CCC2)C1 1042943079 JAEZCXMLCHWPHQ-UHFFFAOYSA-N 321.421 -0.180 30 20 DBED Cc1noc(C(=O)NCC2(O)CN(C(=O)[C@H](C)C#N)C2)c1C 1043578593 MZQOSCJOLJXVSJ-MRVPVSSYSA-N 306.322 -0.246 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)Cn2nnc3c2CCCC3)C1 1047529079 PPQZFZYPVPEISH-GJZGRUSLSA-N 319.409 -0.154 30 20 DBED CN(C(=O)C#CC1CC1)[C@H]1CN(C(=O)[C@@]2(C)CCOC2)C[C@@H]1O 1048825171 WVUFKOOCPURFFE-ZQIUZPCESA-N 320.389 -0.144 30 20 DBED C=CCO[C@@H](C)C(=O)N(C)[C@H]1CN(C(=O)c2ccon2)C[C@@H]1O 1049010987 LRJYYPJXYUDMTJ-DRZSPHRISA-N 323.349 -0.091 30 20 DBED COCCC1(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)C#N)C2)CC1 1049402698 VWCKLSFEDCPNOD-AVGNSLFASA-N 323.393 -0.007 30 20 DBED C[C@H](NC(=O)CC(N)=O)[C@H]1CCN(C(=O)CSCC#N)C1 1050098004 NPZVAAPAQNAHJU-UWVGGRQHSA-N 312.395 -0.528 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)[C@@H]3CC(=O)N(CC)C3)CO2)C1 1053820777 LSQMENDERQQERN-KGLIPLIRSA-N 319.405 -0.162 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)c3ccc4nn[nH]c4n3)CO2)C1 1053823318 JLRAFYYDSDJLNY-JTQLQIEISA-N 312.333 -0.441 30 20 DBED Cc1cc(CC(=O)N[C@H]2COC3(C2)CN(CC#N)C3)n(C)n1 1053869792 STOBSXCIBYPQFI-GFCCVEGCSA-N 303.366 -0.246 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)[C@H]3CCc4c[nH]nc4C3)CO2)C1 1054014199 JOYKJXJSHORLQN-AAEUAGOBSA-N 315.377 -0.002 30 20 DBED C=CCN1CC2(C[C@@H](NC(=O)[C@H]3CCc4nncn4C3)CO2)C1 1054016816 KYTADLLWULRERF-QWHCGFSZSA-N 317.393 -0.014 30 20 DBED C[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1NCc1nnn(C)n1 1054574429 QWAKQQPXQWIFER-JOYOIKCWSA-N 314.353 -0.340 30 20 DBED N#Cc1ccc(N2C[C@H]3[C@H](NC(=O)[C@@H]4COC(=O)N4)[C@H]3C2)cn1 1056192936 APMZQWQOFJZKFX-QNWHQSFQSA-N 313.317 -0.388 30 20 DBED C#Cc1ccc(C(=O)NCCN(CCO)C(=O)COC)cc1 1056792440 PFSDHPIDTOUSHI-UHFFFAOYSA-N 304.346 -0.135 30 20 DBED C[C@H](C(=O)N1CC[C@@H](Nc2nccnc2C#N)C1)S(C)(=O)=O 1056816756 OAPWGFJVYDEHSN-NXEZZACHSA-N 323.378 -0.206 30 20 DBED CN(c1ccc(C#N)nn1)[C@H]1CCN(C(=O)c2ncn(C)n2)C1 1056909949 HHMQCDSAOXACDF-NSHDSACASA-N 312.337 -0.172 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)C12CCN(CC1)C2 1057167787 ZTTPJUNUIGASSN-UHFFFAOYSA-N 309.410 -0.015 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)CCCC(=O)NC 1057170873 FCFIDYAXSMGIFY-UHFFFAOYSA-N 313.398 -0.194 30 20 DBED Cc1nccc(C(=O)N(CCO)CCNC(=O)[C@H](C)C#N)n1 1057655054 XZHCOYCMVDBUOJ-SNVBAGLBSA-N 305.338 -0.505 30 20 DBED C=CCCOCC(=O)NCCN(CCO)C(=O)c1cnco1 1058197838 NVYJBHZIVDANPD-UHFFFAOYSA-N 311.338 -0.182 30 20 DBED C#CCO[C@H](C)C(=O)NCCN(CCO)C(=O)c1c[nH]nc1C 1058270399 DDLGPHHUQBQXGW-GFCCVEGCSA-N 322.365 -0.693 30 20 DBED C[C@@H]1OCCO[C@@H]1C(=O)N[C@@H]1CCN(c2cnc(C#N)cn2)C1 1058590592 IBRGDTILSOZYQI-WDMOLILDSA-N 317.349 -0.153 30 20 DBED O=C1NC[C@@H](C(=O)NCC[C@H]2CCN(C(=O)C#CC3CC3)C2)N1 1059622740 OQWNXATVLTVVSZ-STQMWFEESA-N 318.377 -0.564 30 20 DBED C#CCO[C@H](C)C(=O)NCC[C@@H]1CCN(C(=O)c2cnn[nH]2)C1 1059904234 VDDCWSZXVSLRAP-VXGBXAGGSA-N 319.365 -0.189 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)Cc1ccon1 1061451712 KZPTZGYUYWPBAI-PWSUYJOCSA-N 306.322 -0.280 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H]1COCCN1C(=O)[C@H](C)CC 1061516787 ZZCLSWKSHUSXAV-CHWSQXEVSA-N 323.393 -0.484 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@H]1COCCN1C(=O)COCC 1061538449 OHLVXOPWWOIEOV-SWLSCSKDSA-N 314.382 -0.306 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1[C@H]2COC[C@H]21 1061851416 NXXZNBPQQTXECZ-OBPIAQAESA-N 307.350 -0.618 30 20 DBED N#Cc1cnccc1N1C[C@H]2C[C@H]1[C@H]2NC(=O)Cn1ncnn1 1064298151 UEWMKHWJZOVXAJ-LQJRIPTKSA-N 310.321 -0.667 30 20 DBED N#Cc1ccc(N2CCC3(CCN(C(=O)C(N)=O)C3)CC2)nn1 1064587888 NVURVBMDOOXAGH-UHFFFAOYSA-N 314.349 -0.348 30 20 DBED C[C@]1(NC(=O)[C@@H]2COC(=O)N2)CCN(c2ccc(C#N)nn2)C1 1065250974 MMJGFTYGCMUTSZ-HZMBPMFUSA-N 316.321 -0.458 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)CCn2ccnn2)C1 1065557799 VLQRMPVCEGCGLX-NEPJUHHUSA-N 320.353 -0.829 30 20 DBED CN(C(=O)[C@H]1CCOC1)[C@H]1CN(c2ccc(C#N)nc2)C[C@@H]1O 1065573506 ZEXQKLCABKCOMC-CQDKDKBSSA-N 316.361 -0.002 30 20 DBED C#CCOCCC(=O)N[C@H]1CCCN(C(=O)CC(N)=O)CC1 1066168890 BDGYTZZKTVGKBS-LBPRGKRZSA-N 309.366 -0.601 30 20 DBED N#Cc1nccnc1NC[C@@H]1CN(C(=O)c2cnn[nH]2)CCO1 1066691020 IZOHEFFXJXNNNZ-SECBINFHSA-N 314.309 -0.581 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC2(CN(C(=O)COCC)CCO2)C1 1068290267 YUCURJHCPIGALD-ZDUSSCGKSA-N 324.377 -0.499 30 20 DBED C#CCOCCC(=O)N1CC2(C[C@@H](NC(=O)COCC)CO2)C1 1068675350 HFXSUXNARYBPPP-CYBMUJFWSA-N 324.377 -0.451 30 20 DBED Cc1nc[nH]c1C(=O)N1CC2(C[C@@H](NC(=O)[C@H](C)C#N)CO2)C1 1069007060 ABMPYXXKOPCSRB-MWLCHTKSSA-N 317.349 -0.023 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2ccc(O)nc2)C[C@@H]1n1ccnn1 1070321149 ULEAATOARMFZTB-OLZOCXBDSA-N 312.333 -0.333 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)c4cnc(O)n4C)C[C@@]3(C1)O2 1070834944 FKDUFYOBGRWKSH-HWWQOWPSSA-N 316.361 -0.326 30 20 DBED Cn1cc(C(=O)N2CCC(=O)NCCN(CC#N)CC2)cn1 1070938338 PBZVLRCPJZAUBR-UHFFFAOYSA-N 304.354 -0.792 30 20 DBED Cc1ncn(C)c1C(=O)N1CCC(=O)NCCN(CC#N)CC1 1070971711 NZNHRLWMNXUHNL-UHFFFAOYSA-N 318.381 -0.484 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CCCN(C(=O)c2cnn(C)n2)C1 1070985019 CRMKUVLPCCPGTO-VXGBXAGGSA-N 319.365 -0.426 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)CN2CCC[C@@H]2C)CC1 1070998750 QZBCSMWORFMKEG-HNNXBMFYSA-N 320.437 -0.246 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC(C)(NC(=O)CC(N)=O)CC1 1073027631 OAOJGYZZHKBXNM-NSHDSACASA-N 309.366 -0.603 30 20 DBED N#CCN1CCCO[C@H](CNC(=O)[C@H]2CCCCN2C(N)=O)C1 1073853773 OFTFYAGPPNMPPN-CHWSQXEVSA-N 323.397 -0.350 30 20 DBED C#CCCN1CCO[C@@H]2CCN(C(=O)c3cnnn3C)C[C@H]21 1074229910 PEYDZCNYBLSCHA-ZIAGYGMSSA-N 303.366 -0.246 30 20 DBED Cn1ncc(CCC(=O)N2CC[C@H]3OCCN(CC#N)[C@H]3C2)n1 1074339497 VKPQKPCIMCKFSP-UONOGXRCSA-N 318.381 -0.427 30 20 DBED C=CCO[C@H](C)C(=O)N1C[C@H]2CCN(C(=O)C(N)=O)CC[C@H]2C1 1074360405 XIYJKOUQGIXLEU-UPJWGTAASA-N 323.393 -0.240 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(C(=O)Cn2cncn2)[C@@H](C)C1 1074891359 GBNZAYJKNWKVCQ-QWHCGFSZSA-N 321.381 -0.024 30 20 DBED CC(=O)NCC(=O)N[C@@H](C)CCNC(=O)c1cc(C#N)c[nH]1 1076073739 ZLKSAMNORASWQV-VIFPVBQESA-N 305.338 -0.353 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H](C)CCNC(=O)C(C)(C)C(N)=O 1076966678 LQRMBVPWZQZQGG-WDEREUQCSA-N 311.382 -0.453 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCN(C(N)=O)C2)C1 1077336884 PRDFKGHMPNZIJP-YNEHKIRRSA-N 310.398 -0.486 30 20 DBED C[C@@H](CCNC(=O)CCN1CCOCC1)NC(=O)[C@@H](C)C#N 1077394575 UXUAZEVVUUWWFH-STQMWFEESA-N 310.398 -0.121 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3ccnc3)cn2)C1 1077991801 XOYLQUVOHOGCMS-HUUCEWRRSA-N 311.345 -0.325 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C2CC2)N2CCOCC2)C1 1078213888 GZSWIJBSXMEESV-BZUAXINKSA-N 321.421 -0.718 30 20 DBED N#CCN[C@@H]1C[C@@H](NC(=O)CC2CS(=O)(=O)C2)C12CCC2 1078661588 VIOSOAGNEGQESH-VXGBXAGGSA-N 311.407 -0.038 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC(CO)(NC(=O)COC)CC1 1080676616 HVMDOQUNJNHRLC-GFCCVEGCSA-N 312.366 -0.859 30 20 DBED COC[C@H](C)C(=O)N1CCC(CO)(NC(=O)[C@H](C)C#N)CC1 1080980652 ZTXHULJNATXVEG-NEPJUHHUSA-N 311.382 -0.102 30 20 DBED C#CCC1(C(=O)N2C[C@H](O)[C@H](CNC(=O)COC)C2)CCC1 1081185488 CMKZJCYUOCUOCL-OLZOCXBDSA-N 308.378 -0.238 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2cnccn2)C[C@H]1O 1081343885 JDXVFAFZZXESAJ-DGCLKSJQSA-N 320.349 -0.772 30 20 DBED C#CCCCCC(=O)NC[C@@H]1CN(C(=O)c2cnon2)C[C@H]1O 1081417504 UQPLDGLCVKRFAX-DGCLKSJQSA-N 320.349 -0.188 30 20 DBED C#CCCN1C[C@@H](NC(=O)[C@H]2CC(=O)N(CC)C2)[C@H](OC)C1 1081764686 YJKFHLLNNTZPNE-BFHYXJOUSA-N 307.394 -0.307 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@]1(C)CCN(C(C)=O)C1 1082311313 GBFVPRDCSVKMAR-UMVBOHGHSA-N 308.382 -0.416 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(CCCO)C[C@H]2OC)cn1 1082334110 SOZQQMMMABRGOB-HUUCEWRRSA-N 303.362 -0.126 30 20 DBED CC(C)C(=O)N1CCC(C(=O)N[C@@H]2CN(CC#N)C[C@@H]2O)CC1 1083687782 KKGWJTNMZUOGLD-KGLIPLIRSA-N 322.409 -0.434 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN([C@@H](CC)C(N)=O)C[C@@H]2O)cc1 1083691408 NWFRHTZYMBTJSW-ILXRZTDVSA-N 315.373 -0.293 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)Cn2ccc(C)cc2=O)C1 1083825178 HKSGBFSIWUYTCK-KGLIPLIRSA-N 305.378 -0.106 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2cncc(N3CCCC3)n2)C1 1083836053 GDWCYSQFFZDPMX-OLZOCXBDSA-N 316.365 -0.625 30 20 DBED N#Cc1cccc(CN2C[C@H](O)[C@H](NC(=O)c3nc[nH]n3)C2)c1 1083874466 YAQJVCOMQLVQTD-OLZOCXBDSA-N 312.333 -0.349 30 20 DBED C[C@@H]1[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)CCN1CC#N 1088979017 PTCIUBMNLSDHGW-BDAKNGLRSA-N 301.310 -0.866 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(c2cnc(F)cn2)C[C@H]1O 1090488223 FCXDCMWTPFKQNN-HBNTYKKESA-N 308.313 -0.680 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2cnc3n2CCCC3)[C@H](O)C1 1090513929 DXFQKIBGLTWITA-DGCLKSJQSA-N 303.366 -0.092 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2cnc(C3CC3)nc2O)[C@@H](O)C1 1090631832 WXKBNJNZCDKCHM-NEPJUHHUSA-N 317.349 -0.252 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2nc3ncccn3n2)[C@@H](O)C1 1090657950 LTHGQPYRRHAAEQ-NEPJUHHUSA-N 314.349 -0.687 30 20 DBED C=CCN1CC[C@@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)[C@H](O)C1 1090704254 LAZKFDZJSTVNQC-GHMZBOCLSA-N 324.381 -0.946 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2cc(C(N)=O)ccn2)[C@H](O)C1 1090858729 PMEWDYHGJNLGRG-GXTWGEPZSA-N 316.361 -0.631 30 20 DBED CS[C@@H](C)C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@@H]1O 1091065586 FLOSKQUIHRVCPX-GDPRMGEGSA-N 307.379 -0.235 30 20 DBED CC[C@@H]1[C@@H](NC(=O)CNC(C)=O)CCN1c1ccc(C#N)nn1 1091752862 YHRPDSBNGOFIHU-QWHCGFSZSA-N 316.365 -0.042 30 20 DBED CC(=O)N1CCOC[C@@H]1C(=O)NCCNc1cnc(C#N)cn1 1093653330 MVTAKOBANXNJJU-GFCCVEGCSA-N 318.337 -0.876 30 20 DBED CN1C(=O)CC[C@H]1CC(=O)NCCN=c1cc[nH]c(C#N)n1 1094055944 QTZHFHHHDVUNRI-JTQLQIEISA-N 302.338 -0.691 30 20 DBED CCn1nncc1C(=O)NCCCN=c1cc[nH]c(C#N)n1 1094401313 SERNGXAFMGDGBW-UHFFFAOYSA-N 300.326 -0.386 30 20 DBED N#Cc1ccc(NCCCNC(=O)CCn2cnnn2)nn1 1094541373 LJCISGKZJANIHY-UHFFFAOYSA-N 301.314 -0.657 30 20 DBED C#CCCN1CC(N2C[C@H](NC(=O)C3=COCCO3)CC2=O)C1 1094699631 REZNLGSQPZJZIF-GFCCVEGCSA-N 319.361 -0.701 30 20 DBED CC#CCN1CC(N2C[C@@H](NC(=O)[C@@H]3CCCOC3)CC2=O)C1 1094711854 OUUVQGWDAQWQJC-KGLIPLIRSA-N 319.405 -0.162 30 20 DBED C#CCCN1CC(N2C[C@@H](NC(=O)[C@@]34COC[C@@H]3C4)CC2=O)C1 1094740000 FXQLOHPBDLSAAU-DCGLDWPTSA-N 317.389 -0.553 30 20 DBED C#CCCN1CC(N2C[C@@H](NC(=O)[C@H]3OCC[C@H]3C)CC2=O)C1 1094787287 QYIIFCSJVVGAGS-WWGRRREGSA-N 319.405 -0.164 30 20 DBED N#Cc1cccnc1NCCCNC(=O)c1nnc(O)nc1O 1094888670 SHKHFAYJSPGEEN-UHFFFAOYSA-N 315.293 -0.219 30 20 DBED N#Cc1cnc(N2CCC[C@H](NC(=O)C3(C(N)=O)CC3)C2)cn1 1096227956 DJZPVKMCRGHEDQ-JTQLQIEISA-N 314.349 -0.301 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCN(c2nccnc2F)C1 1096360572 OVNDCIPMDBHKTA-SNVBAGLBSA-N 305.313 -0.550 30 20 DBED N#Cc1cnc(N[C@H](CNC(=O)C2(C(N)=O)CC2)C2CC2)cn1 1096796126 YJWMDVCHTQVILK-LLVKDONJSA-N 314.349 -0.080 30 20 DBED C[C@@H](CNC(=O)C[C@@H]1CC(=O)NC1=O)Nc1ccc(C#N)cn1 1097945570 QLALEPQNMANFNM-GXSJLCMTSA-N 315.333 -0.077 30 20 DBED C#CCOCCC(=O)N1CCC(N(CCO)C[C@H](C)O)CC1 1098364312 PFOLLDDWGJKGJV-AWEZNQCLSA-N 312.410 -0.308 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)c2cncs2)[C@@H](O)C1 1099698345 NDWRUPOIYTXKGY-QWRGUYRKSA-N 324.406 -0.390 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2cnc(C)[nH]2)[C@H](O)C1 1099726841 KCWDRWHTBXLCTL-TZMCWYRMSA-N 306.366 -0.467 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)c2ocnc2C)[C@H](O)C1 1099755873 SUPQVKQCMWPRFP-NWDGAFQWSA-N 322.365 -0.550 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H](O)C1 1099757430 FKMDTKDNWVZMSD-ZFWWWQNUSA-N 316.361 -0.299 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCN(CCn2cccn2)C[C@@H]1O 1099829864 JLPAZHDBFBGBAL-CABCVRRESA-N 320.393 -0.526 30 20 DBED Cc1occc(=O)c1OCC(=O)N[C@@H]1CCN(CC#N)C[C@@H]1O 1099916832 UJEINZSNMXWYIE-YPMHNXCESA-N 321.333 -0.598 30 20 DBED COC(=O)[C@@H]1C[C@@H]1C(=O)NCCN(C)c1cnc(C#N)cn1 1099961247 NJSPBNKZJGXSTO-WDEREUQCSA-N 303.322 -0.290 30 20 DBED C=CCCCC(=O)N[C@@H]1CCN(Cc2nc(=O)n(C)[nH]2)C[C@@H]1O 1099976554 OSNCXWRLEWBMRD-NEPJUHHUSA-N 323.397 -0.484 30 20 DBED CN(CCNC(=O)c1cn(C)c(O)n1)c1cncc(C#N)n1 1100302082 NKRIQGHMGXOYLA-UHFFFAOYSA-N 301.310 -0.346 30 20 DBED C=CCNC(=O)CNC1CC(CNC(=O)[C@H]2CCN(C)C2)C1 1100982524 YEDBDCRVAZJMRZ-MOKVOYLWSA-N 308.426 -0.275 30 20 DBED CN(CCNc1cncc(C#N)n1)C(=O)C[C@@H]1CCC(=O)N1 1101678332 OYBMGZIZDSFLBF-JTQLQIEISA-N 302.338 -0.113 30 20 DBED COCC(=O)NCCC(=O)N(C)CCNc1cncc(C#N)n1 1102004331 LTNYKLVEOWGATH-UHFFFAOYSA-N 320.353 -0.629 30 20 DBED C=CCCN1C[C@@H](C)[C@H](CNC(=O)CN2CCNC(=O)C2)C1 1102218217 ZHADBRUTUHERBY-ZIAGYGMSSA-N 308.426 -0.322 30 20 DBED C[C@@H](CNC(=O)Cn1ncnn1)CNc1ccc(C#N)cn1 1104094902 KZLPTZKBQCWALH-SNVBAGLBSA-N 300.326 -0.196 30 20 DBED COC[C@H](C)C(=O)NC[C@H]1CN(c2ccnc(C#N)n2)CCO1 1104309485 BCBFDXICVWJSFT-RYUDHWBXSA-N 319.365 -0.048 30 20 DBED CC(C)[C@@H](CNC(=O)[C@H]1CCC(=O)N1)N=c1cc[nH]c(C#N)n1 1105136569 XJZMGULCKIDETQ-GHMZBOCLSA-N 316.365 -0.399 30 20 DBED CC(=O)NCC(=O)N1CCOC2(CCC(NCC#N)CC2)C1 1105453783 SRFXTMFYAZYDLU-UHFFFAOYSA-N 308.382 -0.224 30 20 DBED Cc1cc(=NC[C@H](O)CNC(=O)C2CCOCC2)c(C#N)c[nH]1 1105701298 VVWBYHFJCCMFEE-AWEZNQCLSA-N 318.377 -0.001 30 20 DBED CCn1cc(C(=O)NC[C@@H](O)CNc2cnc(C#N)cn2)cn1 1105765904 JVBWHZMRNCAQBG-LBPRGKRZSA-N 315.337 -0.233 30 20 DBED CCc1[nH]ccc1C(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1 1105837632 JNJPFGIAZJLHHT-JTQLQIEISA-N 314.349 -0.137 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)Cn2nccn2)nc1 1105985841 SHMBUPLRPKDZNK-NSHDSACASA-N 301.310 -0.866 30 20 DBED CCC(=O)N[C@@H](C)C(=O)NC[C@H](O)CNc1ccc(C#N)cn1 1106140279 IEFHYVMMNWHLIC-CMPLNLGQSA-N 319.365 -0.243 30 20 DBED CC#CCN1CC(n2cc(CNC(=O)CNC(=O)CC)nn2)C1 1107145587 BJUYFRKEPBCDEB-UHFFFAOYSA-N 318.381 -0.700 30 20 DBED CN1CC[C@H](C(=O)NC/C=C\CN=c2cc[nH]c(C#N)n2)C1 1107200844 VMHCZTDLXDYGHZ-DLGQBQFBSA-N 300.366 -0.194 30 20 DBED C=CCOCC(=O)NC[C@@]1(C)CN(Cc2ncnn2C)CCO1 1107811948 VRGYOFRLGZGPIN-HNNXBMFYSA-N 323.397 -0.275 30 20 DBED C#CCNC(=O)CN1CCO[C@](C)(CNC(=O)C(C)(C)C)C1 1108358724 RZDFOGMFCYOKFI-MRXNPFEDSA-N 309.410 -0.011 30 20 DBED C[C@@H](CN(C)c1cncc(C#N)n1)NC(=O)c1cnn(C)n1 1109015622 PBFLSTJXGFJACJ-VIFPVBQESA-N 300.326 -0.269 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1nnnn1C 1109213136 MTBMUIIAPCSLAZ-YXMPFFBPSA-N 320.397 -0.241 30 20 DBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1ncn(C)n1 1109229515 XUXGBUVVQYIOMK-WOPDTQHZSA-N 318.381 -0.548 30 20 DBED CSCC(=O)NC[C@@]1(O)CCN(c2cnc(C#N)cn2)C1 1111031753 LEXLVWGIPMTYHY-ZDUSSCGKSA-N 307.379 -0.231 30 20 DBED CNC(=O)CC(=O)NC[C@H]1COCCN1c1ccc(C#N)cn1 1111675818 OGVPNRSYNOQYDC-LBPRGKRZSA-N 317.349 -0.589 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(c2nccnc2F)C[C@@H]1O 1112702643 ULIWJRPCTVJCEA-QWRGUYRKSA-N 310.329 -0.268 30 20 DBED CC(C)OCC(=O)NC[C@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1112708867 ATPSSIAKDMNEKC-AAEUAGOBSA-N 319.365 -0.313 30 20 DBED Cc1nn(C)c(C)c1C(=O)N1CCN(CC(=O)NCC#N)CC1 1113172859 VQIXCHHQNDHHGK-UHFFFAOYSA-N 318.381 -0.565 30 20 DBED CC(=O)N[C@H](C)C(=O)NC[C@@H](C)N(C)c1cnc(C#N)cn1 1113508724 MIQCTPLTFCDMMQ-NXEZZACHSA-N 304.354 -0.186 30 20 DBED C[C@H](CNC(=O)CS(C)(=O)=O)N(C)c1ccnc(C#N)n1 1113520427 BNRAJYSZXDZVBR-SECBINFHSA-N 311.367 -0.666 30 20 DBED C#CCOCCC(=O)NC1[C@@H]2CN(CC(=O)NCC=C)C[C@@H]12 1114265805 JHHZKPIBLOEMKD-CHWSQXEVSA-N 305.378 -0.625 30 20 DBED C#CCCN1C[C@H]2[C@H](NC(=O)CCCN3C(=O)CCC3=O)[C@H]2C1 1114370970 BPIFOUDGGCFMJI-LAQFHYBYSA-N 317.389 -0.015 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)c3cnn(C)n3)[C@H]2C1 1114973500 XRXRUDZXHAPVPG-DCAQKATOSA-N 318.381 -0.834 30 20 DBED C=CCO[C@H](C)C(=O)NC1[C@@H]2CN(CCS(C)(=O)=O)C[C@@H]12 1115333708 ZFIMSMBGKMRBCJ-IJLUTSLNSA-N 316.423 -0.332 30 20 DBED CN(CCNC(=O)C(=O)N1CCO[C@@H](C#N)C1)C1CCCC1 1117312520 ULGWDSMYXGZYNZ-ZDUSSCGKSA-N 308.382 -0.272 30 20 DBED C#CCSCCNC(=O)C(=O)NCc1cccn(CC)c1=O 1117619620 HPZFVSGXFRXJIP-UHFFFAOYSA-N 321.402 -0.033 30 20 DBED C#CCN1CCC[C@H](NC(=O)N[C@H]2CS(=O)(=O)C[C@H]2C)C1 1119309701 MPKKDEDTZJJSJE-AGIUHOORSA-N 313.423 -0.184 30 20 DBED C#CCNC(=O)CNC1CC2(C1)CC(NC(=O)CCOC)C2 1120495753 IZOFBJKOCOVQDD-UHFFFAOYSA-N 307.394 -0.211 30 20 DBED CCNC(=O)CCC(=O)NC[C@H](CO)Nc1nccnc1C#N 1121204185 DDFZJFMCAURCIA-SNVBAGLBSA-N 320.353 -0.846 30 20 DBED CN1CCO[C@@H](C(=O)NC[C@@H](CO)Nc2ccc(C#N)nc2)C1 1121251732 VHDCFSOFBXEAAV-UONOGXRCSA-N 319.365 -0.827 30 20 DBED CCn1ncc(C(=O)NC[C@H](CO)Nc2nccnc2C#N)n1 1121471760 JDGRBKCSNVIRDB-SECBINFHSA-N 316.325 -0.838 30 20 DBED N#Cc1cnc(N2CC[C@]3(NC(=O)CC(N)=O)CCC[C@@H]23)cn1 1123394575 QTOXQYDAXACZTD-IAQYHMDHSA-N 314.349 -0.159 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CCCN(c2cnc(C#N)cn2)[C@H]1C 1123537277 GTBOIQPEOXSYKN-CMPLNLGQSA-N 316.365 -0.042 30 20 DBED Cc1cc(NC[C@H](O)CN(C)C(=O)[C@@H](C)C#N)n2ncnc2n1 1124191672 OLIMIZYZRXVYRO-ONGXEEELSA-N 317.353 -0.176 30 20 DBED CN(C[C@H](O)CN(C)c1nccnc1C#N)C(=O)c1cocn1 1124989278 SSQVOOHDYUVDBX-SNVBAGLBSA-N 316.321 -0.094 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)c2cc(C#N)c[nH]2)C1=O 1125360939 OBWGTDGYBHVUTK-GFCCVEGCSA-N 301.350 -0.007 30 20 DBED C#CCNC(=O)CC(=O)NCCNCC(=O)NCCC(C)(C)C 1125978080 LDNXUBYEKIXMGJ-UHFFFAOYSA-N 324.425 -0.616 30 20 DBED COCCN(CCNC(=O)CNC(N)=O)c1ccc(C#N)cn1 1126192160 XNLLLRJPXPZYNP-UHFFFAOYSA-N 320.353 -0.809 30 20 DBED COCCN(CCNC(=O)[C@@H]1CCOC1)c1cncc(C#N)n1 1126246904 FLOHZPDLWRJSTQ-GFCCVEGCSA-N 319.365 -0.046 30 20 DBED C[C@H]1CN(C(=O)CNCCNC(=O)C#CC2CC2)C[C@@H](C)O1 1126886549 WQVJTPSSWXKNMY-BETUJISGSA-N 307.394 -0.259 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)C#CC(C)(C)C 1126893451 NTZLLPQMKXZFQM-UHFFFAOYSA-N 308.382 -0.247 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H](C)NC(=O)CC)C1 1129009487 CDQMRHCLOJCOBH-UPJWGTAASA-N 318.381 -0.833 30 20 DBED CC(C)(O)CC(=O)NCc1nc([C@H]2COCCN2CC#N)n[nH]1 1130842314 GMRVBNKJYUZCPR-SNVBAGLBSA-N 322.369 -0.521 30 20 DBED C=CCOCC(=O)N[C@@H]1CC[C@H](C)N(Cc2nnnn2C)C1 1131945858 BXCFVCUDRHYCLJ-NWDGAFQWSA-N 308.386 -0.118 30 20 DBED C=CCNC(=O)CNCCNC(=O)CCn1nc(C)cc1C 1132070636 DIRHYWAHLXHGKR-UHFFFAOYSA-N 307.398 -0.102 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)c1ccc(O)nn1)NCC(=O)NCC#N 1133610603 HNECYIADUHKIPL-VHSXEESVSA-N 320.353 -0.692 30 20 DBED C[C@@H](C[C@@H](C)NCC(=O)NC(N)=O)NC(=O)CSCC#N 1133735145 BFLDYXTYXSKLKI-BDAKNGLRSA-N 315.399 -0.689 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1ccn2cc(C)nc2c1 1133823434 GGLIHGMNEHQMRN-UHFFFAOYSA-N 313.361 -0.288 30 20 DBED CC#CCN[C@@H](C)C[C@H](C)NC(=O)CS(=O)(=O)CCOC 1134765088 VGCMBCXWJZKBQH-STQMWFEESA-N 318.439 -0.056 30 20 DBED C=CCn1cc(C(=O)NCCNCc2ncnn2CCC)nn1 1134981335 YIFQRFZZAKCPFE-UHFFFAOYSA-N 318.385 -0.015 30 20 DBED C=CCN[C@H](C)C[C@@H](C)NC(=O)CCn1cc[nH]c(=O)c1=O 1135688027 YSIOZJLXJCPVHK-VXGBXAGGSA-N 308.382 -0.014 30 20 DBED C=CCNC(=O)CNCCNC(=O)C(=O)N1CCC[C@H]1CC 1147047007 VQAHICZFSLZIRT-GFCCVEGCSA-N 310.398 -0.605 30 20 DBED C=CCOCCN1CCC2(C1)CN(C(=O)[C@H]1CCNC1=O)C2 1148045350 KQQSHHDCPIGFDZ-ZDUSSCGKSA-N 307.394 -0.141 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1ncccc1OC 1149027232 ZBYHEGXHURVRSL-NSHDSACASA-N 304.350 -0.453 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)CCc1cncn1C 1149570958 ILZVGGPNIWNLML-GFCCVEGCSA-N 305.382 -0.804 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)c1ccc(C(N)=O)nc1 1153521022 XGKAQLGOKIVZAI-JTQLQIEISA-N 319.365 -0.809 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1cc(CC)n(C)n1 1153742192 SHGXTARPNCULIF-LLVKDONJSA-N 305.382 -0.560 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)[C@]1(F)CCOC1 1154826361 VTLYLWIPHHCEPT-RISCZKNCSA-N 314.361 -0.419 30 20 DBED C=CCOCC(=O)NCCCNC[C@H](O)CN1CCCC1=O 1155707470 LYKOOKRVBBJUAJ-ZDUSSCGKSA-N 313.398 -0.732 30 20 DBED C=CCN(CC=C)C(=O)CNCCCNC(=O)CC(=O)NCC 1156869017 SDQUMGWLUVBFOB-UHFFFAOYSA-N 324.425 -0.191 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@@H]1CCCc2nn[nH]c21 1165278028 PVUYAHZPSWUESF-LLVKDONJSA-N 318.381 -0.930 30 20 DBED COCC#CCNCC1(CCNC(=O)c2cnn(C)n2)CC1 1167450730 NWTODJCAEZYPFO-UHFFFAOYSA-N 305.382 -0.045 30 20 DBED N#CCNC(=O)CNCC1(CCNC(=O)c2cnon2)CC1 1167495835 WLOYIKCZFYHTMS-UHFFFAOYSA-N 306.326 -0.801 30 20 DBED C#CCNCCCC[C@@H](C)NC(=O)Cn1cnc(C(N)=O)n1 1170878231 LRUKYEHNIHPCSZ-LLVKDONJSA-N 306.370 -0.725 30 20 DBED C[C@@H](CCCCNCC#N)NC(=O)[C@H](C)NS(C)(=O)=O 1175454313 YMEHLALZACCEEL-QWRGUYRKSA-N 304.416 -0.288 30 20 DBED CC(=O)NCC(C)(C)C(=O)N1CC[C@H]2OCCN(CC#N)[C@H]2C1 1177107286 PPRXWCVMWMEQPQ-UONOGXRCSA-N 322.409 -0.026 30 20 DBED N#CCN1CC(O)(CN(Cc2ccccc2)C(=O)C(N)=O)C1 1177541420 RCOXHKYUVSZYKS-UHFFFAOYSA-N 302.334 -0.929 30 20 DBED C#CCNCCCCCCNC(=O)CCNS(C)(=O)=O 1178621592 MEXABKPLOOTWMF-UHFFFAOYSA-N 303.428 -0.175 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)Cn2nccc2C)[C@H]1C 1179625988 CEBMAPMDNBJOAE-KBPBESRZSA-N 317.393 -0.480 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2coc(C)n2)C1 1182156065 BVXMAFIXZNJOMN-CMPLNLGQSA-N 304.350 -0.075 30 20 DBED C=CCNC(=O)[C@@H](C)NC[C@]1(C)CN(C(=O)C(N)=O)C[C@H]1C 1182446932 QHTKAOXYHRLKBQ-UEKVPHQBSA-N 310.398 -0.763 30 20 DBED CC(=O)NCC(=O)N1CCC[C@H](n2cc(CNCC#N)nn2)C1 1185855265 FTVAJXZMMMRUKB-ZDUSSCGKSA-N 319.369 -0.809 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H](CNCC)C2(CCOCC2)C1 1186357150 ROUIWUDLMRFFCC-AWEZNQCLSA-N 321.421 -0.009 30 20 DBED Cc1n[nH]cc1C(=O)N1CC[C@H]2CN(CC(=O)NCC#N)C[C@H]21 1188731355 LSFSFURRBFDLIC-WCQYABFASA-N 316.365 -0.496 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC[C@@H](N(C)Cc2nc(O)n[nH]2)C1 1189918035 MIZHIQUYOCZQBC-QMTHXVAHSA-N 309.370 -0.130 30 20 DBED COCC#CCN(C)[C@H]1CCN(C(=O)[C@@H](C)S(C)(=O)=O)C1 1190957484 RSGVHKJSBDHWAY-OLZOCXBDSA-N 316.423 -0.398 30 20 DBED COCCc1nc(CN2C[C@@H](O)[C@H](NC(=O)[C@@H](C)C#N)C2)no1 1191873481 XFVUQPUZHANEKH-HBNTYKKESA-N 323.353 -0.921 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CN(CC(=O)NCC2CC2)C[C@H]1O 1192770044 FQGDCSIHJUWAEN-ZIAGYGMSSA-N 305.378 -0.913 30 20 DBED CC(C)N1CC[C@@H](N2C[C@@H](O)[C@H](NC(=O)C#CC3CC3)C2)C1=O 1192828082 YMDKWOVRIXXBDT-RBSFLKMASA-N 319.405 -0.430 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@@]2(CC(C)C)CCNC2=O)C1 1193912336 WSYHXDIVEJALQQ-XJKCOSOUSA-N 307.394 -0.667 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)C(=O)Nc2ccccc2)C1 1194430372 DCMUNVSJKBGFIJ-ZIAGYGMSSA-N 301.346 -0.190 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)[C@H]2CCCC(=O)N2)CC1 1196231726 KOUCWMLIOFAHBA-CYBMUJFWSA-N 322.409 -0.508 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)CC(CC)CC)C1 1197215740 STXGPNYWYKJXQE-ZIAGYGMSSA-N 309.410 -0.277 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)CNC(=O)c2cccc(C)c2)C1 1198359683 SERFTJOGHOIYCB-HUUCEWRRSA-N 315.373 -0.481 30 20 DBED C=CCCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CN(CC)CCO2)C1 1198870072 HJSSSSAJGPIICA-RBSFLKMASA-N 311.426 -0.165 30 20 DBED COCC#CCNC1CCN(C(=O)CN2CCCC2=O)CC1 1199258088 XJKRJQLIOJTBRV-UHFFFAOYSA-N 307.394 -0.161 30 20 DBED C[C@@H](C#N)C(=O)N1CCCO[C@@H](CNCC(=O)N2CCC2)C1 1200114597 GAQMLSGQBWNYKU-STQMWFEESA-N 308.382 -0.415 30 20 DBED C#CCOCCC(=O)N1CCCO[C@@H](CN[C@H]2CCNC2=O)C1 1200499843 CDVWGOSRPGMQHS-KBPBESRZSA-N 323.393 -0.878 30 20 DBED C#CCNC[C@@H]1CN(C(=O)[C@]2(COC)CCOC2)CCCO1 1201090421 YNXYCYZNSAISEV-ZBFHGGJFSA-N 310.394 -0.120 30 20 DBED C#CCCNC1CCN(C(=O)CCc2nnc(O)nc2O)CC1 1201427576 AYODEBRHYKTHRX-UHFFFAOYSA-N 319.365 -0.181 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)[C@H]2CCNC2=O)CC1 1201967854 YEWCSDUINZHSFA-LBPRGKRZSA-N 308.382 -0.995 30 20 DBED C=CCNCC1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)CC1 1205420097 DFDYYZLMGWVSIS-UHFFFAOYSA-N 320.393 -0.439 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2cnccn2)[C@H](C)C1 1205760062 QKVZBGOIEMMWPY-DGCLKSJQSA-N 301.350 -0.724 30 20 DBED N#CCNCC1CCN(C(=O)[C@@H]2CCc3nnnn3CC2)CC1 1206346175 AOZBJMCPHUQXFS-CYBMUJFWSA-N 317.397 -0.023 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)Cc2cncnc2)C1 1207920390 JBRDWRKEUIPWRD-AWEZNQCLSA-N 315.377 -0.651 30 20 DBED C#CCC1(C(=O)N2CCC[C@H](NCC(N)=O)C2)CCOCC1 1208313096 WOBJWKCFUQDPHC-ZDUSSCGKSA-N 307.394 -0.128 30 20 DBED CC[C@@H](NC(C)=O)C(=O)N[C@@H]1CN(CC#CCOC)C[C@H]1C 1208826806 AEBDULVKRRPWFS-BPLDGKMQSA-N 309.410 -0.013 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2cccnn2)[C@H](C)C1 1209672619 SRMAXUXAYBLFOY-DGCLKSJQSA-N 301.350 -0.724 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)CCC=C)[C@H](OC)C1 1212024470 USQGSEWXNPZYJV-BFHYXJOUSA-N 307.394 -0.094 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)c2cc(=O)n(C)o2)C[C@H]1C 1214513992 IGIQSFOULUUJRH-GHMZBOCLSA-N 322.365 -0.669 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2csnn2)C[C@H]1C 1215251264 PWOMGUHKSNRBMX-OUAUKWLOSA-N 321.406 -0.274 30 20 DBED C=CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H](C)CS(C)(=O)=O 1219054617 GWJQERIGPIITJI-RWMBFGLXSA-N 316.423 -0.235 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CN(CCn2cc(Cl)cn2)C[C@@H]1O 1219381050 GFVOSHUNJINQPD-JLLWLGSASA-N 311.773 -0.143 30 20 DBED C=CCCCN1C[C@H](O)[C@H](NC(=O)CN(C)C(=O)COC)C1 1219740647 DMNIQRRCCGZMAM-OLZOCXBDSA-N 313.398 -0.781 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)[C@@H](Cn2cccn2)N(C)C)C1 1219800153 IOEUZJOIUTXPLA-MCIONIFRSA-N 307.398 -0.839 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)Cn1cccn1 1224757867 QHPYPIBNBMRGDD-ZIAGYGMSSA-N 317.393 -0.351 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)COCC2CC2)CC1 1226236203 LOMQIXYRKVYION-UHFFFAOYSA-N 307.394 -0.257 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)c2cc(OC)no2)CC1 1226927579 ZADZNGVKSIZTQX-UHFFFAOYSA-N 320.349 -0.373 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCC(NC(=O)c2cn(C)nn2)CC1 1227152357 VBZSOIGLHLKZJC-LLVKDONJSA-N 320.397 -0.300 30 20 DBED COCC#CCN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CN(C)C(=O)N1 1227940830 NWBRNOGONSDLGD-MGPQQGTHSA-N 322.409 -0.323 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)[C@@H]2C[C@@]23CCOC3)CC1 1229927464 UCYZIFBDMUZZDH-WMLDXEAASA-N 319.405 -0.257 30 20 DBED C#CCCN1CCS(=O)(=O)[C@H](CCNC(=O)CSC)C1 1230416617 NKLWQZOJFNHGMC-GFCCVEGCSA-N 318.464 -0.022 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@@H]1CN(C)C(=O)CCOCC#C 1234246066 IGPPYFZFOQFORD-HUUCEWRRSA-N 319.405 -0.303 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)[C@H](C)NC(=O)CC 1234490753 RGKIRBDIMZYLHF-STQMWFEESA-N 322.409 -0.817 30 20 DBED C=CCCC(=O)NCCCN(C)CC(=O)N1CCNC(=O)C1 1235437282 YPOZYFSDQKYZAE-UHFFFAOYSA-N 310.398 -0.651 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N(C)Cc2cnc[nH]2)C1=O 1261617676 QPIPHXCKMJNODL-GFCCVEGCSA-N 319.365 -0.387 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@H](NC(=O)c2ccnc(C)n2)C1 1267734364 FNOPZJJUSNZEIS-YPMHNXCESA-N 315.377 -0.273 30 20 DBED CCC[C@@H](C(=O)N1CCCC[C@@H]1CNCC#N)S(N)(=O)=O 1317187950 FQWAQTJIPGUHQP-NEPJUHHUSA-N 316.427 -0.062 30 20 DBED C=CCN1CCC(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)CC1 1322607384 NXUNVJVTORYWLD-ZDUSSCGKSA-N 306.366 -0.496 30 20 DBED C[S@@](=O)C1(CNC(=O)C(=O)N2CC[C@](F)(C#N)C2)CCC1 1324554194 IWEQNFLYAROUHF-LAJNKCICSA-N 315.370 -0.132 30 20 DBED C=CCCN(C)C(=O)C(=O)Nc1ncn(CC(=O)OCC)n1 1326218616 MGKNSMGWPRPSDG-UHFFFAOYSA-N 309.326 -0.186 30 20 DBED C#CCOCCNC(=O)C(=O)N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1326802009 UVJIHAUTTXQXRL-GHMZBOCLSA-N 318.395 -0.968 30 20 DBED Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)NCC1(C#N)CC1 1328368606 AXHAZHSSKSXWGT-UHFFFAOYSA-N 310.335 -0.725 30 20 DBED C[C@H]1C[C@H](NC(=O)C(=O)NCCNc2ccc(C#N)cn2)CO1 1329401166 SXQRNGBEQDAUMM-JQWIXIFHSA-N 317.349 -0.225 30 20 DBED CCNC(=O)N1CC[C@H](NC(=O)C(=O)N2CCC(C#N)CC2)C1 1329640534 YMZRAOLJVSWVGK-LBPRGKRZSA-N 321.381 -0.331 30 20 DBED CCn1nccc1CNC(=O)C(=O)NC1CCN(CC#N)CC1 1330916987 JBXYVJAWYBWTKF-UHFFFAOYSA-N 318.381 -0.377 30 20 DBED C#CC1CCN(C(=O)C(=O)N2CCC(CO)(CO)CC2)CC1 1332296877 FMMNPTUATIGZTC-UHFFFAOYSA-N 308.378 -0.548 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N[C@H]1CCCN(C)C1=O 1332869077 XOERIVOEYSKYAF-RYUDHWBXSA-N 309.366 -0.732 30 20 DBED C=CCn1c(C[C@H](C)O)nnc1N1C[C@H]2C(=O)N(C)C(=O)[C@H]2C1 1338822597 YBUSTZJVXPJDQC-GARJFASQSA-N 319.365 -0.562 30 20 DBED C#CCCCC(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 1339039737 HSIVIONHFFGWCX-LLVKDONJSA-N 300.380 -0.401 30 20 DBED C#CCNC(=O)C1CCN(C(=O)CCN2CCOCC2)CC1 1340070329 UXSLERHINMPASD-UHFFFAOYSA-N 307.394 -0.303 30 20 DBED N#CCNC(=O)CNC(=O)N1CCC[C@@H](C(=O)NC2CC2)C1 1342600486 KIECUKQFFVZVBH-SNVBAGLBSA-N 307.354 -0.674 30 20 DBED C#CCCCCNC(=O)C(=O)N1CC[C@@H]2COC(=O)N[C@H]2C1 1345868621 NLQZNEQSDYJEJO-NEPJUHHUSA-N 307.350 -0.137 30 20 DBED Cc1nc2n(n1)C[C@@H](NC(=O)C(=O)N1CCC(C#N)CC1)CC2 1346026406 JUOFCAQFSCBGAD-LBPRGKRZSA-N 316.365 -0.220 30 20 DBED C=CCOCCNC(=O)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1 1350573828 QFBUEVOXTZBNFV-GFCCVEGCSA-N 321.381 -0.566 30 20 DBED COC[C@H](NC(=O)Cn1cc(C#N)c(O)nc1=O)c1ccco1 1362181003 MAMKMRLFXSKEKQ-JTQLQIEISA-N 318.289 -0.083 30 20 DBED C[C@@H]1C[C@H](NC(=O)Cn2cc(C#N)c(O)nc2=O)c2nccn21 1362825429 DXJLRDKKGDJPQK-SCZZXKLOSA-N 314.305 -0.161 30 20 DBED Cn1nccc1NC(=O)NCCn1cc(C#N)c(O)nc1=O 1364106654 GRRFNGQWYPDNLM-UHFFFAOYSA-N 303.282 -0.624 30 20 DBED Cn1ncc(C(=O)NCCn2cc(C#N)c(O)nc2=O)c1Cl 1364107480 JEQFEIDMUKSIGA-UHFFFAOYSA-N 322.712 -0.363 30 20 DBED N#CCc1ccc(C(=O)N2C[C@@H](C(N)=O)[C@H](C(N)=O)C2)cc1 1364209835 ROCLYJSEOVESBI-VXGBXAGGSA-N 300.318 -0.589 30 20 DBED CCN(CCC#N)S(=O)(=O)N(CC(N)=O)C1CCOCC1 1365730149 IYOQHLZBZFGUNE-UHFFFAOYSA-N 318.399 -0.567 30 20 DBED COc1cc(C(=O)N(C)C[C@@H](O)CNC(=O)[C@@H](C)C#N)ccn1 1384239668 XQJYSZJPNNGIRQ-JQWIXIFHSA-N 320.349 -0.201 30 20 DBED C=C(Cl)CN(CCNC(=O)[C@@H]1CC(=O)NC(=O)N1)C1CC1 1391192775 VRYUKHLWMLFJAE-JTQLQIEISA-N 314.773 -0.082 30 20 DBED C=C(Cl)CNCC1(O)CCN(C(=O)Cn2cncn2)CC1 1402803037 FMOFIHOOCRMFDI-UHFFFAOYSA-N 313.789 -0.026 30 20 DBED C[C@@H](C#N)C(=O)NCCN1CCN(CC(=O)NC2CC2)CC1 1417914466 AGOJEGWGPUZMNK-LBPRGKRZSA-N 307.398 -0.842 30 20 DBED CCNC(=O)NC(=O)[C@@H](C)NC1(CNC(=O)[C@@H](C)C#N)CC1 1420922779 STSXIRIWUDMFJW-VHSXEESVSA-N 309.370 -0.381 30 20 DBED Cc1ccn(CC(=O)N2CC(NC(=O)[C@@H](C)C#N)C2)c(=O)c1 1430287184 DJTZSQYWCTZZDL-NSHDSACASA-N 302.334 -0.357 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)c2ccc(=O)n(C)n2)CC1 1433978511 BMQDBPISLUTHEJ-SECBINFHSA-N 303.322 -0.681 30 20 DBED C=C(Cl)CN[C@H](CNC(=O)CN1CCNC(=O)C1)C(C)C 1438806744 ATPUUMPPYXZILR-GFCCVEGCSA-N 316.833 -0.099 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@@H](CNC(=O)CN2CCCC2=O)C1 1452897599 CPYCTZFAOUCKCT-UTUOFQBUSA-N 306.366 -0.221 30 20 DBED CNS(=O)(=O)N1CCC(C(=O)N2CCC(C#N)CC2)CC1 1464556365 BKLYXQZCLOAFAO-UHFFFAOYSA-N 314.411 -0.075 30 20 DBED C[C@]1(C(=O)NCCn2cc(C#N)c(O)nc2=O)CCCOC1 1470360918 LMKRLZFVMMNINY-AWEZNQCLSA-N 306.322 -0.247 30 20 DBED C[C@H]1CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)C[C@H]1CO 1470415546 CEIKTJMCUPYIBK-JQWIXIFHSA-N 320.349 -0.312 30 20 DBED CC[C@@H](C(=O)NC1CN(C(=O)[C@@H](C)C#N)C1)N1CCCC1=O 1498195454 LPJFREKPUHSWDS-JQWIXIFHSA-N 306.366 -0.126 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](C)CN(C)C(=O)CCS(C)(=O)=O 1510649567 XUJIKMCNQSITBP-VHSXEESVSA-N 303.384 -0.456 30 20 DBED CO[C@H](C)CC(=O)NC[C@@H](O)CN(C)C(=O)c1cc(C#N)c[nH]1 1511516720 SJVWBZONMBJYAR-ZYHUDNBSSA-N 322.365 -0.140 30 20 DBED CNC(=O)[C@@H](C#N)C(=O)c1nnn(Cc2cc(C)no2)c1C 1523894478 LZBWYXBXBVOPRB-JTQLQIEISA-N 302.294 0.000 30 20 DBED C#CCN(CC(=O)O)C(=O)NCCS(=O)(=O)CC1CC1 1588408323 HQQBHJXNWDQASC-UHFFFAOYSA-N 302.352 -0.459 30 20 DBED C#Cc1ccccc1CC(=O)N1CCS(=O)(=O)C[C@H]1C(=O)O 1588439254 MKXBGIRBLWMDMF-ZDUSSCGKSA-N 321.354 -0.079 30 20 DBED C[C@@H](CC#N)C(=O)N1C[C@@H](N2C(=O)CNC2=O)C[C@H]1C(=O)O 1604059432 FJLADVBFQQZLEC-CIUDSAMLSA-N 308.294 -0.858 30 20 DBED C[C@H](CN(C1CC1)S(=O)(=O)N1CCO[C@H](C#N)C1)C(=O)O 1604159070 KKHGMVGIKJULTA-MWLCHTKSSA-N 317.367 -0.359 30 20 DBED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C 1649788117 CCUCKBMZFBHQQZ-KWQFWETISA-N 316.362 -0.133 30 20 DBED C[C@@]1(C(=O)N[C@@H]2CCN(CC(=O)NCC#N)C2)CCCOC1 1752408393 VYVHBXPNGJLZHW-IUODEOHRSA-N 308.382 -0.367 30 20 DBED C#CCNC(=O)CN(CCC)CCNC(=O)[C@@H]1CCN(C)C1 1753149930 VLAPLILENOMTQC-CQSZACIVSA-N 308.426 -0.484 30 20 DBED C#CCNC(=O)CNCC[C@H](C)NC(=O)[C@@H]1CCNC(=O)CC1 1753996356 GNPBLJPTNOSDHT-STQMWFEESA-N 322.409 -0.864 30 20 DBED C=CCNC(=O)[C@@H](C)N(C)C[C@H](C)NC(=O)Cc1nc[nH]n1 1754331884 XMKUAGSEPRGIJU-WDEREUQCSA-N 308.386 -0.526 30 20 DBED C#CCNC[C@@H]1CCCC[C@H]1NC(=O)CN1C(=O)CNC1=O 1754350680 DZJUNENVTHHKNM-NWDGAFQWSA-N 306.366 -0.564 30 20 DBED COCC#CCNC[C@@H](NC(=O)[C@@H]1CN(C)C(=O)N1)C1CC1 1754448354 XSEBROOPKBOUTR-OLZOCXBDSA-N 308.382 -0.856 30 20 DBED C#CCNC(=O)CNC1(CNC(=O)CN2[C@@H](C)CC[C@H]2C)CC1 1754535234 DINVBAPLZSYQOJ-OKILXGFUSA-N 320.437 -0.153 30 20 DBED COc1cc(C(=O)N[C@@]2(C)CCN(CC(=O)NCC#N)C2)on1 1754672585 LAIUSHCRXIOFBK-AWEZNQCLSA-N 321.337 -0.483 30 20 DBED C#CCOc1ccc(C(=O)NCC2(O)CN(C[C@@H](C)O)C2)cc1 1754775719 FLQZOFIOPQHOEY-CYBMUJFWSA-N 318.373 -0.144 30 20 DBED CC#CCN1CC2(CC[C@H](CNC(=O)[C@@H](C)NC(C)=O)O2)C1 1755052642 FTZCIHXENYOMTM-TZMCWYRMSA-N 307.394 -0.116 30 20 DBED CC#CCN[C@@H]1CN(C(=O)c2cn(C)c(=O)n(C)c2=O)C[C@@H]1C 1755116756 UHLMRPYYACEMQY-WCQYABFASA-N 318.377 -0.843 30 20 DBED C#CCNC1(C)CCN(C(=O)[C@H](C)NS(C)(=O)=O)CC1 1755133063 AOPWSTWNKBRMQV-NSHDSACASA-N 301.412 -0.472 30 20 DBED Cn1cc2c(n1)CCC[C@@H]2C(=O)NC1(CCO)CN(CC#N)C1 1755334830 LWYICQZGKPFGGO-LBPRGKRZSA-N 317.393 -0.083 30 20 DBED C#CCN[C@H](CCN(C)C(=O)CN1CCNC(=O)C1)C(C)C 1755342036 VMQHTPLUXFHTIB-CQSZACIVSA-N 308.426 -0.486 30 20 DBED C#CCCN1CC([C@H](C)NC(=O)CCS(=O)(=O)N(C)C)C1 1755392766 XPWQNGDXJZJGHZ-LBPRGKRZSA-N 315.439 -0.272 30 20 DBED C#CCN(C)CCOCCNC(=O)[C@]1(C)CCCS1(=O)=O 1755543944 DEIODVVNHWTSIY-AWEZNQCLSA-N 316.423 -0.349 30 20 DBED C=CC(C)(C)C(=O)NC[C@@H](CO)NCc1nnc2n1CCOC2 1755634574 MYSOBBAGMBTEMI-NSHDSACASA-N 323.397 -0.413 30 20 DBED C=C(C)CNC[C@H](O)CN(C)C(=O)[C@@H]1CCCCS1(=O)=O 1755780586 JEUCOLXJAKCEGF-STQMWFEESA-N 318.439 -0.061 30 20 DBED C=CCNC[C@@H](O)CN(C)C(=O)c1sccc1-n1cnnn1 1755792968 LFTHUTQWIKXQTK-SNVBAGLBSA-N 322.394 -0.068 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)[C@H](C)NC(=O)C1CCOCC1 1755945991 ORKGJYFUBNVFQN-NEPJUHHUSA-N 323.393 -0.438 30 20 DBED CC(C)C#CC(=O)N[C@H](C)[C@H](C)NC(=O)CN1C(=O)CNC1=O 1755967418 QLKAQGCCSQQDNJ-MNOVXSKESA-N 322.365 -0.793 30 20 DBED C#CCOCCC(=O)N(C)[C@@H](C)CNC(=O)C(=O)NCC1CC1 1756060805 MELFUCZWOOJNHU-LBPRGKRZSA-N 323.393 -0.484 30 20 DBED C=CCn1cc(C(=O)N[C@@H](C)CN(C)C(=O)c2cnon2)nn1 1756486037 LAEDSGWSEUALAQ-VIFPVBQESA-N 319.325 -0.262 30 20 DBED N#CCSCC(=O)NC[C@@H](CO)NC(=O)c1ccnc(O)c1 1756504216 YNQGNNWCGPANBF-JTQLQIEISA-N 324.362 -0.749 30 20 DBED CC(C)C#CC(=O)NC[C@@H](CO)NC(=O)[C@H]1CN2CCC1CC2 1756517649 LZZLGYZKIINUOT-GJZGRUSLSA-N 321.421 -0.419 30 20 DBED CC(C)C#CC(=O)N(C)C[C@H](O)CNC(=O)[C@]1(F)CCOC1 1756661758 FAPCXUKWKIXIGW-DOMZBBRYSA-N 314.357 -0.290 30 20 DBED C=CCCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCN2C(C)=O)C[C@H]1O 1756984908 KFNPCILSXGCHFW-HZSPNIEDSA-N 323.393 -0.349 30 20 DBED CCN1C[C@@H](S(=O)(=O)N[C@@H](CCC#N)C(=O)O)CC1=O 1776874890 RWLSQAHDZXJCIV-IUCAKERBSA-N 303.340 -0.716 30 20 DBED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C#CC1CC1)CCO2 1831221104 DHGCZXPUVGXGJP-QGZVFWFLSA-N 316.357 -0.511 30 20 DBED Cn1ccc(C(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)n1 1842468611 WSQCREZTUHVHSV-UHFFFAOYSA-N 316.317 -0.675 30 20 DBED N#CC1(C(=O)N2CCCC23CN(C(=O)[C@@H]2C[C@H](O)CN2)C3)CC1 1842808777 YCXBJGQRANDKEQ-RYUDHWBXSA-N 318.377 -0.784 30 20 DBED C#CC(=O)N1CCCC12CN(C(=O)c1cc(OC)nn1C)C2 1845958500 POVKAHPFMJXZNU-UHFFFAOYSA-N 302.334 -0.121 30 20 DBED C#CCNC(=O)COC(=O)c1cccc(NS(C)(=O)=O)c1 18399861 ZYESPFYJERHSKK-UHFFFAOYSA-N 310.331 -0.036 30 20 DBED C=C(Cl)CNC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 77790764 FYDWSNJGDBLHCQ-UHFFFAOYSA-N 314.773 -0.129 30 20 DBED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCNC(=O)C2)CC1 92616857 DVMBYHJKNQYDJD-ZDUSSCGKSA-N 307.398 -0.889 30 20 DBED CC[C@@](C)(C#N)NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 127490454 QGCKJRULLYYLCF-AWEZNQCLSA-N 318.337 -0.758 30 20 DBED C/N=C(/NC[C@]1(O)CCSC1)N[C@@H]1CCc2nc(C)nn2C1 262426041 RQHPEFPOEQOUKK-BXUZGUMPSA-N 324.454 -0.066 30 20 DBED N#Cc1nnc2ccccc2c1N1CCN2C(=O)C(=O)NC[C@@H]2C1 267487723 CDUTZOIFBSHRCL-SNVBAGLBSA-N 322.328 -0.352 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC2(C(=O)OC)CCC2)C1=O 269516823 KLNHHGHKEUCDSG-UHFFFAOYSA-N 323.305 -0.825 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCOC3(CCC3)C2)C1=O 270867945 TWGHIRUIPXIWQU-UHFFFAOYSA-N 321.333 -0.255 30 20 DBED C=CCNC(=O)CNC(=O)CN1C(=O)NC2(CCCC2)C1=O 272002637 WKTPGNINZMUNRD-UHFFFAOYSA-N 308.338 -0.731 30 20 DBED NC(=O)C1=NO[C@H](CNC(=O)C#Cc2ccc3c(c2)OCO3)C1 276334026 YULGULBGDJCGPM-JTQLQIEISA-N 315.285 -0.487 30 20 DBED Cc1nc(C(=O)NCCC(=O)NS(C)(=O)=O)ccc1C#N 282042566 LEFQAUJBDCIZNV-UHFFFAOYSA-N 310.335 -0.543 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)CCn2ncn(C)c2=O)C1=O 293606790 LLSZDYQBFLITFL-NSHDSACASA-N 307.354 -0.783 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCN(C[C@@H](C)O)CC1 330389828 OBVSDEYDVWBFFE-QWHCGFSZSA-N 318.443 -0.289 30 20 DBED CCC(=O)N[C@H]1CCCN(/C(O)=N/CCNS(C)(=O)=O)C1 330472360 YISAGLCMAONYPM-JTQLQIEISA-N 320.415 -0.560 30 20 DBED CC(C)(CO)/N=C(/O)Nc1ccn(CCN2CCOCC2)n1 330935212 MDNRSCFDTZDFSS-UHFFFAOYSA-N 311.386 0.312 30 20 DBED CC(=O)NCC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 330940050 XBFQDFKCAHIPFM-JTQLQIEISA-N 302.338 -0.479 30 20 DBED CNC(=O)[C@@H]1CCC[C@H]1NS(=O)(=O)N(C)C[C@H](C)C#N 336902617 XSOODGCKIZLPNY-GMTAPVOTSA-N 302.400 -0.173 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H](CO)[C@@H]1CCCO1 337157076 PKQRZWNXGXIMHT-UTUOFQBUSA-N 305.400 -0.158 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)NC[C@@H](CO)[C@@H]1CCOC1 337771848 ONNVWZZKANGGRX-UTUOFQBUSA-N 305.400 -0.300 30 20 DBED CC#CCN(C)C(=O)C(=O)Nc1cnn(CC(=O)OC)c1C 344206191 YKUIQNPGBVVZRG-UHFFFAOYSA-N 306.322 -0.215 30 20 DBED Cc1cc(=NC(=O)NCCN=c2cncc[nH]2)[nH]n1CCC#N 348202310 ZIIJACDUFJLZKQ-UHFFFAOYSA-N 314.353 -0.027 30 20 DBED Cc1nc(S(=O)(=O)NCC(=O)N(C)[C@@H](C)CC#N)cn1C 349436136 ZUVSNCZTASVNDD-VIFPVBQESA-N 313.383 -0.233 30 20 DBED C[C@H](C#N)CN(C)CC(=O)NCCCN(C)S(C)(=O)=O 353435003 LCSDHEJVJSCBQD-LLVKDONJSA-N 304.416 -0.524 30 20 DBED CNS(=O)(=O)c1cc(C(=O)N2CCO[C@H](C#N)C2)c(C)o1 408392422 CFKPNAAKWXHHPW-SECBINFHSA-N 313.335 -0.139 30 20 DBED CC[C@H](C(=O)OC)N1CCN(S(=O)(=O)[C@@H](C)C#N)CC1 416478842 FDRGVLYRUSDPDF-WDEREUQCSA-N 303.384 -0.203 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@H]1C[C@@H](C(=O)OC)C1 416610072 ANRLTDMTIHOFDV-PHIMTYICSA-N 319.383 -0.366 30 20 DBED C=CC[C@@H](CO)CNC(=O)C(=O)Nc1ccn([C@H](C)COC)n1 426957707 UVTPUBGNTAVMNJ-VXGBXAGGSA-N 324.381 0.330 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@H](O)[C@@H](C)C2)C1=O 428684815 WLMMBURBTVCYHK-VHSXEESVSA-N 309.322 -0.808 30 20 DBED N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC1(C(N)=O)CC1 443485228 GCRXEUNDBHBEPG-UHFFFAOYSA-N 310.291 -0.237 30 20 DBED CC(C)N(C)CCNC(=O)C(=O)Nc1ccn(CCC#N)n1 444568093 HXYUHMLZTUNEOW-UHFFFAOYSA-N 306.370 0.192 30 20 DBED N#C[C@@H]1CN(Cc2nnnn2CCOCC(F)(F)F)CCO1 447349509 NRHMBOBJRPPLQK-SECBINFHSA-N 320.275 -0.024 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CCN(C)[C@@H](C)C2)CC1 491126206 LTMCQXYOCJKKOS-GJZGRUSLSA-N 320.437 -0.390 30 20 DBED C#CCN1CCN(C(=O)CN(C)[C@@H]2CCC(=O)N(C)C2)CC1 491640884 PHOYSUKXSJLQNJ-CQSZACIVSA-N 306.410 -0.684 30 20 DBED O=C1c2ccccc2C(=O)N1CC#CCN1C[C@@H](O)[C@@H](CO)C1 528519018 HQJADJIVJXZPSP-IUODEOHRSA-N 314.341 -0.429 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H]2CCC[C@@H](N)C2)C1=O 574150677 KAZSIGHSVCSQFK-GHMZBOCLSA-N 322.365 -0.403 30 20 DBED COC(=O)c1ccc(N2CCN3C(=O)NC[C@@H]3C2)c(C#N)n1 578379899 JRFJFDRCRXTNMH-SECBINFHSA-N 301.306 -0.046 30 20 DBED Cc1cc(C#N)cc(NC(=O)C(=O)NC[C@@H]2COCCN2)c1 599898233 PPWYVGSQSUHSCC-CYBMUJFWSA-N 302.334 -0.090 30 20 DBED C=C(CC)Cn1cc(CNS(=O)(=O)N2CCNCC2)nn1 630591140 SQXBJBRJAJDYHL-UHFFFAOYSA-N 314.415 -0.516 30 20 DBED N#CCCNC(=O)CN1CCN(C(=O)CN2CCCC2)CC1 728577018 WJBFVANNNIJPRS-UHFFFAOYSA-N 307.398 -0.744 30 20 DBED N#CCNC(=O)COC(=O)c1cccnc1N1CCOCC1 731238988 QHITYCMBCFLZJW-UHFFFAOYSA-N 304.306 -0.285 30 20 DBED CC[C@H](C#N)OC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 753415098 AENAVTFHNCRWNA-SECBINFHSA-N 319.321 -0.331 30 20 DBED C=CCNC(=O)CNC(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1 777515985 QXCUYDHJMNEKPK-LBPRGKRZSA-N 324.362 -0.865 30 20 DBED COC[C@H](C#N)OC(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1 785367334 QDGPEYSPIGMLGX-IUCAKERBSA-N 316.339 -0.831 30 20 DBED C#CCC[C@H](O)CNC(=O)c1coc(S(=O)(=O)NC)c1 799078631 DHLFOILQFATYJV-JTQLQIEISA-N 300.336 -0.308 30 20 DBED CCN(CCC#N)S(=O)(=O)NC[C@H]1CN2CCC[C@@H]2CO1 800034772 YODQTMTWVJDPBG-OLZOCXBDSA-N 316.427 -0.080 30 20 DBED O=C(O)Cn1cc(C=NNc2cccc(-c3nn[nH]n3)c2)nn1 823387424 JJBLKEGRDJVQAZ-UHFFFAOYSA-N 313.281 -0.011 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)c2cnccc2C)CC1 831564857 IYHNCJJJXKHANO-UHFFFAOYSA-N 322.390 -0.385 30 20 DBED C#CCN1CCN(S(=O)(=O)CC2(CC(=O)O)CC2)CC1 833364344 KIDRYAJXLLPWTO-UHFFFAOYSA-N 300.380 -0.178 30 20 DBED C#CCNS(=O)(=O)N1CCN(Cc2cnsn2)CC1 846837332 LYMIQFFVCMHZIF-UHFFFAOYSA-N 301.397 -0.877 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N1CCN2CCOC[C@@H]2C1 850710047 QPQBAAHFOJHWSY-AWEZNQCLSA-N 323.393 -0.972 30 20 DBED C#CC1(O)CN(C(=O)c2cnn3c2C[C@H](CNC(C)=O)CC3)C1 890525392 URBCTKCJIXGKNO-GFCCVEGCSA-N 316.361 -0.598 30 20 DBED C#CC1(O)CN(C(=O)NCC(C)(C)[C@H]2COCC23OCCO3)C1 895308194 GZIDKQGKWRXFRD-GFCCVEGCSA-N 324.377 -0.208 30 20 DBED C#CCSCC(=O)N1CCS(=O)(=NS(C)(=O)=O)CC1 897821975 VKSCDHBXZYGNGF-UHFFFAOYSA-N 324.449 -0.377 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCN(C(=O)[C@H]3CCCO3)C2)nn1 937969579 MGCWSUNXFQPHLT-WCQYABFASA-N 319.365 -0.026 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)c2cnns2)C1 944494785 GYNCJBLFYXQVMK-IUCAKERBSA-N 309.351 -0.345 30 20 DBED C[C@H]1CN(C(=O)C#CC2CC2)CC[C@@H]1NC(=O)Cn1ncnn1 945319513 VBYCEAFITQQOIH-AAEUAGOBSA-N 316.365 -0.560 30 20 DBED C[C@@H]1C[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)CCN1CC#N 947928531 BWFBGFGQLLRHFW-NXEZZACHSA-N 315.337 -0.476 30 20 DBED C#CCCN1CC(N(CC)C(=O)[C@H]2CCN(C)S2(=O)=O)C1 952446676 VFCJOUPTHXFGGH-CYBMUJFWSA-N 313.423 -0.424 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2ncccc2NC(C)=O)C1 958127437 YRRCAIRXIOVWQC-OCCSQVGLSA-N 316.361 -0.304 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](NC(=O)c2ccc(O)nn2)[C@H](C)C1 958369117 YQIMQCIAGQYUEM-FXPVBKGRSA-N 303.322 -0.081 30 20 DBED C#CCCN1C[C@@H](O)[C@@H](CNC(=O)c2cn(CCC)nn2)C1 958552667 WENIENDGSMTRAY-GXTWGEPZSA-N 305.382 -0.266 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2ccc(C(N)=O)cc2)C1 958662550 VHTAAPLXJLFYCH-UONOGXRCSA-N 301.346 -0.559 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cnc(OCC)cn2)C1 958761988 CQZVLVDFQFSCPO-WCQYABFASA-N 304.350 -0.469 30 20 DBED CC#CCN1C[C@H]2C(NC(=O)C3CC4(C3)CS(=O)(=O)C4)[C@@H]2C1 960546506 IKEPXMKOGUZPRY-CHWSQXEVSA-N 322.430 -0.119 30 20 DBED C=C[C@](C)(CC)C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)C(N)=O 960875591 ZVRMOEHHCHULPG-FIXISWKDSA-N 309.366 -0.488 30 20 DBED C#Cc1cncc(C(=O)N2C[C@H](O)[C@H](NC(=O)C(F)F)C2)c1 961087867 SULYJXDFPPCWLE-MNOVXSKESA-N 309.272 -0.371 30 20 DBED O=C1NCC[C@H]1C(=O)N1C[C@H]2CN(C(=O)C#CC3CC3)C[C@H]2C1 961541412 OESHJVUVIDLHHH-HZSPNIEDSA-N 315.373 -0.547 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H]2CN(C(=O)Cn3cnnn3)C[C@H]21 963826683 RDBFHQUODVICIL-GRYCIOLGSA-N 317.353 -0.718 30 20 DBED O=C(NC[C@H]1COCCN1C(=O)C#CC1CC1)c1cnsn1 964095534 WNVWEFAORQUCFF-NSHDSACASA-N 320.374 -0.091 30 20 DBED C[C@H](C#N)C(=O)N1CC2(C[C@H](NC(=O)c3cnns3)CO2)C1 965636741 DZGUVDZIXUUZIN-BDAKNGLRSA-N 321.362 -0.203 30 20 DBED C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1NC(=O)c1nc[nH]n1 966328971 AFDIUTFADPWNQG-KCJUWKMLSA-N 313.321 -0.105 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H]1CCCN(C(=O)C(N)=O)C1 967404053 JLBXYXPYYSPKQA-XQQFMLRXSA-N 323.393 -0.240 30 20 DBED Cc1cnn(C)c1C(=O)N[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1O 969807995 JPJQGRDYKONFKB-IEBDPFPHSA-N 305.338 -0.810 30 20 DBED C=CCN1CCO[C@]2(CCN(C(=O)c3cn(C)c(=O)cn3)C2)C1 972472329 VUDJBQOUBCRYGA-MRXNPFEDSA-N 318.377 -0.117 30 20 DBED C#CCCN1CCO[C@]2(CCN(C(=O)[C@@H]3CCN(C)C3=O)C2)C1 972506678 OBDXPFZUNXYOCZ-RHSMWYFYSA-N 319.405 -0.209 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)Cn3nccn3)C2)nc1 974168428 GVRNNLWNCQEPSE-BETUJISGSA-N 324.344 -0.268 30 20 DBED C=C1CC(C)(C(=O)N2C[C@H]3[C@H](NC(=O)Cn4cnnn4)[C@H]3C2)C1 976144695 XTXXRJRBSGKWSC-PJXYFTJBSA-N 316.365 -0.398 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)c3cn(C)c(=O)n3C)[C@H]2C1 976701900 YASVZVJUGYERKE-UXCLJVHYSA-N 317.349 -0.930 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CN(CC(N)=O)CC2(C)C)nn1 977275258 UPEWNDYJDXHNSN-LLVKDONJSA-N 306.370 -0.610 30 20 DBED Cc1c[nH]c(CC(N)=O)c1C(=O)NCC1[C@@H]2CN(CC#N)C[C@@H]12 978750740 YMVJUNWEVSSTPF-RYUDHWBXSA-N 315.377 -0.218 30 20 DBED C=CCN1C[C@@H]2C(CNC(=O)c3cn(C)c(=O)n(C)c3=O)[C@H]2C1 978797757 ASLSUEVVLGMYEC-VXGBXAGGSA-N 318.377 -0.822 30 20 DBED C#CCN[C@@H]1CCC[C@H](NC(=O)c2cn(C)c(=O)nc2O)C1 981515734 AMKGKWSKYHGVLD-MNOVXSKESA-N 304.350 -0.250 30 20 DBED C=CCn1cc(C(=O)N2CCCN([C@@H](CC)C(N)=O)CC2)nn1 982118132 WYZCVLXSMQMKAX-ZDUSSCGKSA-N 320.397 -0.124 30 20 DBED CC(=O)N1CCOC[C@@H]1C(=O)N1CC2(CCCN(CC#N)C2)C1 982158626 PWUPACYNDQPPGD-CQSZACIVSA-N 320.393 -0.318 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)COC)C1 982351681 GLPUDTNMGCSDMN-KGLIPLIRSA-N 307.394 -0.305 30 20 DBED O=C1CC[C@@H](C(=O)NC[C@H]2CCN(C(=O)C#CC3CC3)C2)N1 982738065 CCWKMMRPYMOFHA-OLZOCXBDSA-N 303.362 -0.357 30 20 DBED C[C@@H]1[C@H](NCC#N)CCN1C(=O)c1cn(CC(=O)N(C)C)nn1 987573413 AXKGMPONUBZVMD-GHMZBOCLSA-N 319.369 -0.918 30 20 DBED C#CCN1CCC([C@@H](C)NC(=O)[C@@H]2CCS(=O)(=O)N2)CC1 997436143 QIEUEGSANTYNIC-YPMHNXCESA-N 313.423 -0.472 30 20 DBED Cc1nc(O)nc(O)c1CC(=O)NC1CN(C(=O)[C@H](C)C#N)C1 998334672 UMYHBVRRNNQPFE-SSDOTTSWSA-N 319.321 -0.775 30 20 DBED C=CC(C)(C)C(=O)N1CC(CNC(=O)C2CS(=O)(=O)C2)C1 1002109230 PGOQKSMQYMWZRD-UHFFFAOYSA-N 314.407 -0.182 30 20 DBED C=CCN1CCC(CNC(=O)[C@H]2CCS(=O)(=O)N2)CC1 1002130880 DREZSYMWUKCZNG-GFCCVEGCSA-N 301.412 -0.308 30 20 DBED NC(=O)C(=O)N1CC[C@@H]([C@H]2CCCN(C(=O)C#CC3CC3)C2)C1 1003137248 FAJTVMOTJBAXKN-UONOGXRCSA-N 317.389 -0.028 30 20 DBED C=CCn1cc(C(=O)NC2CCN([C@@H]3CCNC3=O)CC2)nn1 1003758547 CPSYCMBXMPRQIE-CYBMUJFWSA-N 318.381 -0.453 30 20 DBED Cn1nnc(CN2CC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)n1 1010671997 UOZQLRJMUZZKDT-SNVBAGLBSA-N 300.326 -0.586 30 20 DBED O=C(NC1[C@H]2CN(C(=O)C#CC3CC3)C[C@H]12)c1cc[n+]([O-])cc1 1012726922 YFJLSGQIOKLVLV-KBPBESRZSA-N 311.341 -0.080 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2C(NC(=O)c3cnnc(O)c3)[C@H]2C1 1013261338 ANVWMTMNLCKGKC-JEZHCXPESA-N 301.306 -0.472 30 20 DBED C=CCn1cc(C(=O)N[C@H]2C[C@@H](NCc3nnn(C)n3)C2)nn1 1022824842 PAOQQXVZZSNHLQ-AOOOYVTPSA-N 317.357 -0.962 30 20 DBED N#Cc1c[nH]c(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC34CC4)C2)c1 1025788919 XPYFDSLJJFOHSL-CYZMBNFOSA-N 314.345 -0.012 30 20 DBED N#Cc1ccc(C(=O)N2C[C@@H]3CC[C@H](NCC(N)=O)[C@H]3C2)[nH]1 1026243041 VLKNUIDTIQPECI-DLOVCJGASA-N 301.350 -0.188 30 20 DBED O=C1NC[C@@H](C(=O)NC2CN(CC#Cc3ccc(F)cc3)C2)N1 1030877899 FMLFSOIBPAGNBS-AWEZNQCLSA-N 316.336 -0.341 30 20 DBED C=CCn1cc(C(=O)NC2CN([C@@H]3CCCNC3=O)C2)nn1 1031069808 AKTUJEHZWZJEDL-GFCCVEGCSA-N 304.354 -0.843 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NCC1CN([C@H]2CCNC2=O)C1 1031679723 GWAOETMRMLIREV-RDBSUJKOSA-N 307.394 -0.096 30 20 DBED Cc1nc(O)nc(O)c1CCC(=O)N1C[C@@H]2C[C@H]1CN2CC#N 1032547408 AMIRAUDJUXXNIO-QWRGUYRKSA-N 317.349 -0.063 30 20 DBED CN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CCN([C@H]2CCNC2=O)C1 1032988136 YXOLCCCBOHUVLO-YPMHNXCESA-N 301.350 -0.079 30 20 DBED C=CCCN1CC[C@@H](N(C)C(=O)Cn2ccc(=O)n(C)c2=O)C1 1033125147 ADOZXCHXINONER-CYBMUJFWSA-N 320.393 -0.344 30 20 DBED C=CCn1cc(C(=O)N(CC)[C@@H]2CCN(CC(=O)NC)C2)nn1 1033980698 XXKFJPVRHCFUSX-GFCCVEGCSA-N 320.397 -0.254 30 20 DBED CC#CCN1CCCC[C@H](NC(=O)Cn2ncn(C)c2=O)C1 1034279905 QVNPYDDPBNWBOV-ZDUSSCGKSA-N 305.382 -0.424 30 20 DBED N#CCN1CCO[C@@H](CNC(=O)c2cnc3[nH]ncc3c2)C1 1035412873 XUEFUIQDPJYVGF-LBPRGKRZSA-N 300.322 -0.088 30 20 DBED Cn1c(O)ncc(C(=O)N2CC[C@@H]3[C@@H](CCN3CC#N)C2)c1=O 1036791063 RXSRXMJZWAMUBL-CMPLNLGQSA-N 317.349 -0.454 30 20 DBED C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CN1CCOCC1=O 1039386125 YWRKIODLUCUFMS-KGLIPLIRSA-N 305.378 -0.456 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@]1(O)CCN(C(=O)C#CC2CC2)C1 1039720472 ALYHTKILHVAZTQ-GUYCJALGSA-N 318.373 -0.482 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)CCCCC(N)=O)C1 1040913523 CRPSRCATPXVZGI-IAQYHMDHSA-N 324.381 -0.729 30 20 DBED C=CCCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)COCC)C1 1041314223 UCLWLNMOKLCENG-LBPRGKRZSA-N 314.382 -0.306 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)c2c(C)noc2C)C1 1041417107 KNQQBXDJRGPDNR-UHFFFAOYSA-N 323.349 -0.203 30 20 DBED C[C@@H]1CN(c2ccncc2C#N)C[C@H]1NC(=O)c1nnn(C)n1 1042422925 PRGQXKJNRVCUTM-MWLCHTKSSA-N 312.337 -0.269 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)Cc2cc(C)[nH]n2)C1 1042481595 PLFZGXKVDARSJA-UHFFFAOYSA-N 322.365 -0.847 30 20 DBED C=C(C)CCC(=O)NCC1(O)CN(C(=O)C[C@@H]2COC(=O)C2)C1 1043311081 OFQHTYGFCOQWMQ-LBPRGKRZSA-N 324.377 -0.015 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)CCc2cnn(C)c2)C1 1043421055 POLYVGLAIDWSDV-LLVKDONJSA-N 319.365 -0.798 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)[C@H]2CCN(C)C(=O)C2)C1 1043789785 RHTJHDAUHBZNMM-LBPRGKRZSA-N 323.393 -0.490 30 20 DBED Cn1cnc(C(=O)N[C@@H]2CN(c3ccc(C#N)nc3)C[C@@H]2O)n1 1043932677 LWCGMYKUYZRDQL-NEPJUHHUSA-N 313.321 -0.939 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)[C@H](CC)N(C)C)C1 1044041084 BVESIKMFVDQHCX-LBPRGKRZSA-N 313.398 -0.781 30 20 DBED N#Cc1cncc(N2C[C@H](O)[C@H](NC(=O)c3ccsn3)C2)n1 1044257948 CNADVOFDIVRIPO-MNOVXSKESA-N 316.346 -0.216 30 20 DBED C=C(C)C[C@H](C)C(=O)N1CC(O)(CNC(=O)c2nc[nH]n2)C1 1044790194 UAWIXZNJZOHOIS-JTQLQIEISA-N 307.354 -0.290 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2oncc2C)C1 1045681584 RYJYAYGTIJKENN-NSHDSACASA-N 321.333 -0.676 30 20 DBED C=C[C@@](C)(CC)C(=O)NCC1(O)CN(C(=O)[C@@H]2CCNC2=O)C1 1045782851 LFVBZBDGAOLTBU-ABAIWWIYSA-N 323.393 -0.586 30 20 DBED C=CCN1C[C@H]2C[C@H](NC(=O)CN3CCN(C)C(=O)C3)C[C@H]1C2 1047099259 WMAZQIDBLHQSIQ-SOUVJXGZSA-N 320.437 -0.085 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(NC(C)=O)cn2)C1 1047404004 PJZUTKCKHFUXRS-GJZGRUSLSA-N 316.361 -0.210 30 20 DBED C=CCCOCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC(N)=O)C2 1047579689 OHFCWPVBHDVIGC-XQQFMLRXSA-N 323.393 -0.050 30 20 DBED CCCN(C)CC(=O)N(C)[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 1049150043 PDUYJKRJOXNKES-GJZGRUSLSA-N 321.421 -0.228 30 20 DBED C#CCCN1C[C@H]2CN(C(=O)[C@H]3CCCS3(=O)=O)C[C@H]2C1 1049223277 MPAKVKJSPMCXBU-HZSPNIEDSA-N 310.419 -0.023 30 20 DBED Cc1cc(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)C#N)C2)n(C)n1 1049387888 BYKGRYMLVWXHDO-ICCXJUOJSA-N 319.365 -0.468 30 20 DBED N#Cc1nccc(N2CC[C@@H]3CN(C(=O)C(N)=O)C[C@@H]3C2)n1 1049623096 CSALQNGSHABFLZ-ZJUUUORDSA-N 300.322 -0.882 30 20 DBED N#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)CN1CC(=O)NC1=O 1049791659 XJVIMAMYZRXJBS-WDEREUQCSA-N 305.338 -0.873 30 20 DBED C=CCn1cc(C(=O)N2CCC[C@H]3CN(CCO)C[C@H]32)nn1 1050159572 ABAPEJWKKWSQKT-GXTWGEPZSA-N 305.382 -0.007 30 20 DBED CC#CCN1CCOC[C@@H]1CNC(=O)c1cnc2n1CCOC2 1050963913 NTQGOHNOGJBYIE-ZDUSSCGKSA-N 318.377 -0.133 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)c1cc(C)c(C(N)=O)cn1 1051120395 KFJYUSRVUXDLKU-LBPRGKRZSA-N 316.361 -0.447 30 20 DBED CC(=O)N1CCC(C(=O)NC[C@H]2COCCN2CC#N)CC1 1051238326 KVSTUHNHMAXCAN-AWEZNQCLSA-N 308.382 -0.415 30 20 DBED C=CCN1CCN([C@@H]2CCN(C(=O)[C@@H]3COCCO3)C2)CC1 1051986530 HLTYBTCBYWUAFV-CABCVRRESA-N 309.410 -0.194 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1C 1053161966 SXCQGYDDSVMITN-VXGBXAGGSA-N 319.365 -0.331 30 20 DBED COc1coc(C(=O)N[C@@H]2COC3(C2)CN(CC#N)C3)cc1=O 1053871665 KEIPXNDRKBCPQS-JTQLQIEISA-N 319.317 -0.255 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)[C@@H]3CCNC(=O)CC3)CO2)C1 1053881434 JEHFMCAGADRCTL-QWHCGFSZSA-N 305.378 -0.505 30 20 DBED Cc1nonc1C(=O)NC1[C@H]2CN(c3cncc(C#N)n3)C[C@H]12 1056240779 ANOFJPZWSSDTSM-UWVGGRQHSA-N 311.305 -0.096 30 20 DBED N#Cc1cnc(N2C[C@H]3C(NC(=O)C(N)=O)[C@@H]3C2)c(Cl)c1 1056382539 ORSPHLKUHMRZTA-HTQZYQBOSA-N 305.725 -0.357 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)c1ncccc1O 1057193527 IIUVMBIZDUPBGC-UHFFFAOYSA-N 323.349 -0.460 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)c1cnsn1 1057193598 KSPIUWJPWXSRBZ-UHFFFAOYSA-N 314.367 -0.709 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)CSCC#N 1057439508 PSPDFDULBVKODS-UHFFFAOYSA-N 311.407 -0.016 30 20 DBED N#Cc1cnc(N2CCC(NC(=O)Cn3ncnn3)CC2)cn1 1057903081 QMWDTHOPPKNLRC-UHFFFAOYSA-N 313.325 -0.880 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)C12CCN(CC1)C2 1058161989 GRGKWTBLZIIHHG-LBPRGKRZSA-N 308.382 -0.821 30 20 DBED C=CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)c1cnco1 1058197560 BVLXDRFMYITJDA-NSHDSACASA-N 311.338 -0.184 30 20 DBED C#Cc1ccc(C(=O)N(CCO)CCNC(=O)C(F)F)cn1 1058240734 ZGZGXJTYCLIFPU-UHFFFAOYSA-N 311.288 -0.121 30 20 DBED N#Cc1ccc(N2CC[C@@H](NC(=O)[C@@H]3COC(=O)N3)C2)nn1 1058350582 OSXOPOFBKRXAHW-ZJUUUORDSA-N 302.294 -0.848 30 20 DBED CN1CC[C@H](C(=O)N[C@H]2CCN(c3nccnc3C#N)C2)C1=O 1058514377 HXNFNGZHRQSUBV-WDEREUQCSA-N 314.349 -0.479 30 20 DBED CC(C)n1cc(C(=O)NCCN(CCO)C(=O)[C@H](C)C#N)nn1 1058654730 GKMARFXUGKIDDK-LLVKDONJSA-N 322.369 -0.431 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1C[C@H](NC(=O)C[C@H]2CCNC2=O)C1 1059323895 ALAWFOAABBYZFW-RAIGVLPGSA-N 313.361 -0.040 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](CCNC(=O)COCC)C1 1059502540 SZPRSFLTTMUCJJ-ZDUSSCGKSA-N 323.393 -0.483 30 20 DBED C#CCOCCC(=O)NC[C@H]1CC[C@H](NC(=O)C(N)=O)CC1 1060803989 OOGHZBNKIYUTPQ-HAQNSBGRSA-N 309.366 -0.697 30 20 DBED N#Cc1ccc(NC[C@H]2CCN(C(=O)[C@@H]3COC(=O)N3)C2)nn1 1060865988 ZKPZEWWOCCGSHZ-KOLCDFICSA-N 316.321 -0.283 30 20 DBED C=CCOCC(=O)NC[C@H]1COCCN1C(=O)[C@@H](CC)OC 1061421133 JGCUFGWGVSRPKK-QWHCGFSZSA-N 314.382 -0.042 30 20 DBED C=CCOCC(=O)NC1(CNC(=O)[C@H]2COCCO2)CCC1 1062589280 LIGLRIQWRLBKFW-GFCCVEGCSA-N 312.366 -0.241 30 20 DBED N#Cc1nccnc1N1CCO[C@@H](CNC(=O)[C@H]2CCCO2)C1 1063605330 HMOSKXPWRUJJSJ-WCQYABFASA-N 317.349 -0.151 30 20 DBED C#CCNC(=O)CC(=O)N1CCO[C@H](CNC(=O)C=C(C)C)C1 1065063456 FIIWJXGQXMTZGH-CYBMUJFWSA-N 321.377 -0.564 30 20 DBED C=C1CC(C)(C(=O)NC[C@@H]2CN(C(=O)CC(=O)NC)CCO2)C1 1065082518 YALRVTMBPMJFFA-GFCCVEGCSA-N 323.393 -0.178 30 20 DBED C#CCOCCC(=O)N1CCO[C@H](CNC(=O)CSC)C1 1065150496 QLVKLNMDHCKTLJ-GFCCVEGCSA-N 314.407 -0.267 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)Cc2ncc[nH]2)C1 1065557637 SXFUIWKLERRUBO-QWRGUYRKSA-N 305.338 -0.545 30 20 DBED N#Cc1nccnc1N1CC[C@@H]2[C@@H]1CCCN2C(=O)C(N)=O 1066182901 JONWFPNBXOPINN-WDEREUQCSA-N 300.322 -0.597 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CCCN(C(=O)Cn2nccn2)CC1 1066479055 OZXXBWBNAWWIIN-NWDGAFQWSA-N 304.354 -0.065 30 20 DBED C[C@H]1CN(C(=O)Cn2cncn2)C[C@H]1Nc1cncc(C#N)n1 1067098561 LVGVKDIJYZLFKC-CMPLNLGQSA-N 312.337 -0.101 30 20 DBED Cc1cc(=NC[C@@H]2C[C@H](C)N(C(=O)C(N)=O)C2)c(C#N)c[nH]1 1068369780 ZQOGUTZJCKUVTA-QWRGUYRKSA-N 301.350 -0.182 30 20 DBED C=CCCC(=O)N1CC2(CN(C(=O)CC(=O)NCC)CCO2)C1 1068384031 JUSLGVAGXRYVJV-UHFFFAOYSA-N 323.393 -0.081 30 20 DBED N#Cc1ccc(NC[C@H]2C[C@H](NC(=O)[C@H]3CCC(=O)N3)C2)nn1 1068460640 LMRQUOMRUSRECE-YUSALJHKSA-N 314.349 -0.066 30 20 DBED CC(C)C#CC(=O)NCC1(NC(=O)CC(N)=O)CCOCC1 1070047080 CQNLFLAILHLWFR-UHFFFAOYSA-N 309.366 -0.697 30 20 DBED CC#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2nonc2C)C1 1070108278 UMJMXWKEHRTIAA-NEPJUHHUSA-N 315.337 -0.352 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@@H]2CCCCO2)C[C@@H]1n1ccnn1 1070177827 QNQYYLIVZAZKDI-RDBSUJKOSA-N 303.366 -0.178 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@@H](NC(=O)[C@@H](F)CC)C1 1070639341 FTIMKEZYEAUILV-NEPJUHHUSA-N 311.357 -0.019 30 20 DBED N#CCN1C[C@H]2C[C@H]3CN(C(=O)c4nccnc4N)C[C@@]3(C1)O2 1070778930 YQCAHSSABRXPOF-FIXISWKDSA-N 314.349 -0.502 30 20 DBED N#CCN1C[C@H]2C[C@@H]3CN(C(=O)C4(C(N)=O)CC4)C[C@@]3(C1)O2 1070849017 ZDUAOBYDVRQYAG-UEKVPHQBSA-N 304.350 -0.923 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CCCN(C(=O)CNC(=O)NC)C1 1070855972 CNQFZXVXUYABJW-NWDGAFQWSA-N 324.381 -0.939 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CCCN(C(=O)c2cnn[nH]2)C1 1070962912 UAECWOVKVOMPPG-GHMZBOCLSA-N 305.338 -0.436 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(C(=O)c2cocn2)C[C@H]1C 1071804999 JKZUANICLJLFML-GHMZBOCLSA-N 318.333 -0.609 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)C2(NC(N)=O)CC2)C[C@H]1C 1071926451 YBBXFQXILAACGN-GHMZBOCLSA-N 324.381 -0.647 30 20 DBED C=CCCOCC(=O)N1C[C@H](C)[C@H](NC(=O)c2cnn(C)n2)C1 1072333455 NPPBYRCRFWBYPW-WCQYABFASA-N 321.381 -0.016 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)c2ccn(CCOC)n2)C1 1073690612 AQOJFESMAUPVTO-AWEZNQCLSA-N 320.393 -0.017 30 20 DBED N#CCN1CCCO[C@@H](CNC(=O)[C@@H]2CCCCC(=O)N2)C1 1073763043 UEVRLGJJMMJFRT-STQMWFEESA-N 308.382 -0.224 30 20 DBED N#CCN1CCO[C@@H]2CCN(C(=O)CN3CCCC3=O)C[C@@H]21 1074160399 RQJXJSCDVFPQJB-QWHCGFSZSA-N 306.366 -0.566 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)CCCN(C)C 1076218172 ZAUVTMJOELXNOZ-ZDUSSCGKSA-N 324.425 -0.521 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2COCCN2CC2CCC2)C1 1077447564 DAPIJZKYRPQIEK-BZUAXINKSA-N 321.421 -0.718 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)c2cnn(C)c2OC)C1 1078086954 GVYNUJNBKPQTDY-GHMZBOCLSA-N 314.773 -0.044 30 20 DBED CCN(C(=O)CSCC#N)C1CN(C(=O)C2(C(N)=O)CC2)C1 1079343551 LPMZHVJHFRNLSJ-UHFFFAOYSA-N 324.406 -0.432 30 20 DBED C=CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)[C@H]2CNC(=O)N2)C1 1079981590 VJDCAYHRCBZZIZ-ZYHUDNBSSA-N 324.381 -0.682 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(CC(=O)NC)C[C@H]2C)cn1 1080809285 KCQLKBDMMXONBM-BXUZGUMPSA-N 300.362 -0.141 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)c2cnns2)C[C@H]1O 1081440973 BQIAJBDQZKQNHF-WDEREUQCSA-N 322.390 -0.109 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CN2CCCC2)C1 1081501098 YINWCUUFHKHOAD-UONOGXRCSA-N 309.410 -0.016 30 20 DBED C=CC(C)(C)C(=O)NC[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1O 1081639758 CNIHRNOFPWDTLY-GHMZBOCLSA-N 321.381 -0.424 30 20 DBED C=CCCN1C[C@@H](NC(=O)c2ccc(=O)n(C)n2)[C@H](OC)C1 1082358655 KVWMFJKDHLOBAV-CHWSQXEVSA-N 306.366 -0.215 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CCNC(=O)C1 1083047935 BHWGXECTCZWQDN-HZSPNIEDSA-N 305.378 -0.553 30 20 DBED C=CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cncc(C(N)=O)c1 1083277592 KXQPPSJJKBGIDW-UONOGXRCSA-N 316.361 -0.108 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)Cc2nnc(C)o2)C1 1083443442 KDTXHQXJUBDZOX-ZJUUUORDSA-N 300.746 -0.166 30 20 DBED C=CCOc1cccnc1C(=O)N[C@@H]1CN(CCCO)C[C@@H]1O 1083934895 DHLDHTVLZNXXTM-OLZOCXBDSA-N 321.377 -0.196 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)C2CCC(C(=O)N(C)C)CC2)C1 1083945326 XROOYRWNXKKDKF-CVSAEHQPSA-N 321.421 -0.325 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)c2cccc(C(N)=O)n2)C1 1084102566 ANRJREAVNNKKDG-OLZOCXBDSA-N 304.350 -0.469 30 20 DBED C=CCN1CC[C@H]1CN(C)C(=O)c1cc(=O)n2[nH]cnc2n1 1085924547 ZEDDVQIWIPQHHH-JTQLQIEISA-N 302.338 -0.250 30 20 DBED Cn1nnc2c1C[C@@H](C(=O)NC[C@H]1C[C@@H](NCC#N)C1)CC2 1086177991 PCJHZXFAHYGQFR-SDDRHHMPSA-N 302.382 -0.072 30 20 DBED CNC(=O)NCC(=O)N[C@H](C)C[C@H](C)Nc1ccc(C#N)nn1 1089498841 JYHLZLMCGHTWMK-VHSXEESVSA-N 319.369 -0.028 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2cn(C)c(C)cc2=O)[C@@H](O)C1 1090343020 UGONLECQMZDJPP-ZBFHGGJFSA-N 317.389 -0.118 30 20 DBED COc1cc(OC)nc(C(=O)N[C@@H]2CCN(CC#N)C[C@H]2O)n1 1090362839 FDWFJXLYZOGKHN-NXEZZACHSA-N 321.337 -0.818 30 20 DBED N#Cc1cccc(CN2CC[C@@H](NC(=O)C(N)=O)[C@H](O)C2)c1 1090531120 ILGWRMDGSOSSGR-CHWSQXEVSA-N 302.334 -0.905 30 20 DBED COC[C@@H](OC)C(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@@H]1O 1091178123 TZYKXFDIUQXBFI-FRRDWIJNSA-N 320.349 -0.720 30 20 DBED CCOCCC(=O)N[C@H]1CCN(c2ccnc(C#N)n2)C[C@@H]1O 1092153810 MVDOXSUNNMMILD-RYUDHWBXSA-N 319.365 -0.169 30 20 DBED N#Cc1ccc(N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)CNC(N)=O)nn1 1092938194 XNOUVGWNOFBOGJ-MXWKQRLJSA-N 315.337 -0.758 30 20 DBED Cc1ccnc2nc(C(=O)NCCNc3cncc(C#N)n3)nn12 1093611627 UMFYEUFXPDDYDG-UHFFFAOYSA-N 323.320 -0.064 30 20 DBED CC(C)(C(=O)NCCNc1ccc(C#N)nn1)S(C)(=O)=O 1093863545 RYAIIHZCKWLCML-UHFFFAOYSA-N 311.367 -0.300 30 20 DBED N#Cc1nc(=NCCNC(=O)c2ccc3nc[nH]c3n2)cc[nH]1 1093945213 VLHPIOWYNNGVAN-UHFFFAOYSA-N 308.305 -0.117 30 20 DBED Cc1cc(COCC(=O)NCCN=c2cc[nH]c(C#N)n2)on1 1093965014 WIEXTQIRGYGELI-UHFFFAOYSA-N 316.321 -0.189 30 20 DBED COc1ccc(CC(=O)NCCN=c2cc[nH]c(C#N)n2)nc1 1094081661 SOPUFGLKVROXNC-UHFFFAOYSA-N 312.333 -0.055 30 20 DBED N#CCN1CC(n2cc(CNC(=O)c3n[nH]cc3F)nn2)C1 1094316140 HMPRVMKGIABDMI-UHFFFAOYSA-N 304.289 -0.549 30 20 DBED C#CCCN1CC(N2C[C@H](NC(=O)[C@H]3CCOC3)CC2=O)C1 1094708754 FSCWSDZFGDISLA-QWHCGFSZSA-N 305.378 -0.553 30 20 DBED CC(=O)N(C)CC(=O)N[C@H]1CCN(c2cnc(C#N)cn2)C1 1096329599 UAZQSMBLZYBKDH-NSHDSACASA-N 302.338 -0.479 30 20 DBED CCc1nc(C#N)cc(N2CC[C@@H](NC(=O)CC(=O)NC)C2)n1 1096352151 KHQRFKWLVDMNFU-SNVBAGLBSA-N 316.365 -0.258 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCN(c2nc(CC)ns2)C1 1096360821 QXIFARGGFAULMV-SNVBAGLBSA-N 321.406 -0.065 30 20 DBED N#Cc1cnc(N[C@@H](CNC(=O)CCNC(N)=O)C2CC2)cn1 1096668985 MDGWMISBSQXFHQ-NSHDSACASA-N 317.353 -0.287 30 20 DBED C[C@@H](CNC(=O)C[C@@H]1CCNC1=O)Nc1nccnc1C#N 1098098179 VHWHUWBNQUGUTP-UWVGGRQHSA-N 302.338 -0.209 30 20 DBED C[C@@H](CNC(=O)CC1CS(=O)(=O)C1)N=c1cc[nH]cc1C#N 1098123876 LSUNXHPAMMJJCU-JTQLQIEISA-N 322.390 -0.274 30 20 DBED Cn1cnc(C(=O)N2CCC(N(CC#N)CCO)CC2)cc1=O 1098396213 WUGIBHQAZDMPPC-UHFFFAOYSA-N 319.365 -0.797 30 20 DBED C=CCNCc1cn([C@H]2CCN(C(=O)c3nnn(C)n3)C2)nn1 1098703308 NXYMFCMHWJDZEU-NSHDSACASA-N 317.357 -0.836 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H]2CC[C@H]1[C@H]1CN(CC#N)C[C@@H]21 1099468229 KXADALUYZPJIPR-QPSCCSFWSA-N 314.389 -0.182 30 20 DBED C#CCN1CC[C@H](NC(=O)COCc2ccnc(O)c2)[C@@H](O)C1 1099893193 WGFXORYDLVLSOB-KBPBESRZSA-N 319.361 -0.512 30 20 DBED CN(CCNC(=O)[C@@H]1COCCN1C)c1ccc(C#N)nc1 1100028399 SKLNUAIZTJPEKS-AWEZNQCLSA-N 303.366 -0.164 30 20 DBED CN(CCNC(=O)[C@H]1COCCN1C)c1ccncc1C#N 1100028426 SXMLHKVBTRGVLU-CQSZACIVSA-N 303.366 -0.164 30 20 DBED CC#CCN1CC[C@@H](NC(=O)C(C)(C)CNC(C)=O)[C@H](O)C1 1100033925 NANJJOZDCWWZHN-ZIAGYGMSSA-N 309.410 -0.277 30 20 DBED C=CCCN1CC[C@@H](NC(=O)C(=O)NCC(F)(F)F)[C@@H](O)C1 1100053927 RJQIGPUJKYWIMR-ZJUUUORDSA-N 323.315 -0.208 30 20 DBED C=CCCN1CC[C@@H](NC(=O)COCc2ncnn2C)[C@@H](O)C1 1100057213 CXTWMLRHLDEOAY-OLZOCXBDSA-N 323.397 -0.541 30 20 DBED CN(CCNC(=O)[C@H]1CCCC(=O)N1)c1cnc(C#N)cn1 1100191000 TUYWGAXATCATPP-LLVKDONJSA-N 302.338 -0.431 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)NCC1CC(NCCO)C1 1101036407 PZLWNMKJPQEEKV-UHFFFAOYSA-N 312.414 -0.273 30 20 DBED COCC#CCN1C[C@@H](C)[C@H](CNC(=O)CN2CCOCC2)C1 1101889739 RFVOSQGYLDDQSI-HZPDHXFCSA-N 323.437 -0.348 30 20 DBED COCCOCC(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(C#N)nn1 1102540849 PHHRRZVXYKMPFS-STQMWFEESA-N 317.349 -0.199 30 20 DBED N#Cc1ccc(N2C[C@@H]3C[C@H]2CN3C(=O)CCCC(N)=O)nn1 1102553980 OYNPVHHRSOQXMQ-RYUDHWBXSA-N 314.349 -0.207 30 20 DBED C#CCN1C[C@@H](C)[C@H](CCNC(=O)CCNS(C)(=O)=O)C1 1103051994 UVKCCOBZLBPIRN-CHWSQXEVSA-N 315.439 -0.367 30 20 DBED C[C@@H](CNC(=O)Cn1cnnn1)CNc1cncc(C#N)n1 1103853600 JZPCRZRJIRFHOZ-SECBINFHSA-N 301.314 -0.801 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CN(C)CCO1)CNc1nccnc1C#N 1103890359 VRGBOLHBQFBPFI-YPMHNXCESA-N 318.381 -0.157 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)[C@@]1(C)CCNC1=O 1104199842 IAUJPRWXQGXMRS-BMIGLBTASA-N 316.365 -0.539 30 20 DBED C=CCCNCc1cn(C2CN(C(=O)[C@@H](C)NC(C)=O)C2)nn1 1105146375 CFXFXSPKGIUNKF-LLVKDONJSA-N 320.397 -0.148 30 20 DBED N#CCNCc1cn(C2CN(C(=O)Cc3cnc[nH]3)C2)nn1 1105334394 FQGCTMROUSNYNC-UHFFFAOYSA-N 300.326 -0.760 30 20 DBED N#Cc1nc(=NC[C@H](O)CNC(=O)c2ccc(F)nc2)cc[nH]1 1105771458 LIXYSLIMPKNUJK-JTQLQIEISA-N 316.296 -0.493 30 20 DBED C[C@H](C(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1)n1cccc1 1105788308 IMJVXAAVDHSPBQ-NEPJUHHUSA-N 314.349 -0.278 30 20 DBED COC(=O)c1cnc(NC[C@H](O)CNC(=O)C#CC2CC2)nc1 1105825406 DWOCVBFXJHUXKP-GFCCVEGCSA-N 318.333 -0.434 30 20 DBED C=CC(C)(C)C(=O)NC[C@H](O)CN=c1cc[nH]c(C(=O)OC)n1 1106051757 LXVAYFWQSSAVKP-SNVBAGLBSA-N 322.365 -0.214 30 20 DBED C[C@H](CCNc1cncc(C#N)n1)NC(=O)[C@H]1CCC(=O)N1 1106271952 RIMBVWLBAPTFDR-MWLCHTKSSA-N 302.338 -0.066 30 20 DBED C[C@@H](CCNc1nccnc1C#N)NC(=O)[C@H]1CNC(=O)N1 1106543852 UFPLGMLBDDGGLX-WCBMZHEXSA-N 303.326 -0.664 30 20 DBED N#Cc1cncc(NC/C=C\CNC(=O)C2(C(N)=O)CC2)n1 1107480954 YZRUSRDVRYAMAB-UPHRSURJSA-N 300.322 -0.302 30 20 DBED CCNC(=O)CN1CCO[C@](C)(CNC(=O)C#CC(C)C)C1 1107927171 UDTLJTWYPLMVRK-MRXNPFEDSA-N 309.410 -0.011 30 20 DBED C#CCCN1CCO[C@](C)(CNC(=O)[C@@H]2CCCNC2=O)C1 1108010030 LGXAYPODAZDCIY-CZUORRHYSA-N 307.394 -0.257 30 20 DBED CN1C(=O)CC[C@H]1CC(=O)NC[C@@]1(C)CN(CC#N)CCO1 1108113927 YHIUDIUZDOEONK-WFASDCNBSA-N 308.382 -0.272 30 20 DBED C#CCCN1CCO[C@@](C)(CNC(=O)C[C@H]2CCC(=O)N2)C1 1108275571 HYIANQMKFDSLNB-CJNGLKHVSA-N 307.394 -0.115 30 20 DBED C[C@@H](CN(C)c1nccnc1C#N)NC(=O)CN1CCCC1=O 1108851497 YZTBFSQEIIUBQI-NSHDSACASA-N 316.365 -0.088 30 20 DBED C#CCNC(=O)CC(=O)N(C)CCCNc1cncc(C#N)n1 1109409372 ZOHVAHCWOYIZGO-UHFFFAOYSA-N 314.349 -0.252 30 20 DBED CN(CCCN=c1cc[nH]cc1C#N)C(=O)CCNC(N)=O 1109450965 VCUANZAYNPOHCT-UHFFFAOYSA-N 304.354 -0.306 30 20 DBED C=CCNC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CC(=O)NC 1110483451 VIPHERNZMJZLPE-LOWDOPEQSA-N 322.409 -0.465 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CC(C)(C)O 1110511846 XACKPBQBRQWTBU-UPJWGTAASA-N 307.394 -0.382 30 20 DBED COC[C@@H](C)C(=O)NC[C@@]1(O)CCN(c2cnc(C#N)cn2)C1 1111043718 LQIFXBPRPJEMJT-ABAIWWIYSA-N 319.365 -0.312 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)[C@H](C)NC(N)=O)C[C@@H](C)O2 1111541842 DWMJFDMNSLNGJF-OLZOCXBDSA-N 322.409 -0.242 30 20 DBED C#CCNC(=O)CC(=O)N[C@]12CCC[C@H]1CN(CCCO)C2 1111714504 CQWSPINJPFVJTR-BBRMVZONSA-N 307.394 -0.521 30 20 DBED Cc1ccc(C(=O)N2CCN(CC(=O)NCC#N)CC2)n1C 1112611058 GNNRXUHYNWBVGE-UHFFFAOYSA-N 303.366 -0.269 30 20 DBED Cc1noc(C(=O)N2CCN(CC(=O)NCC#N)CC2)c1C 1112995763 ANGQNYKHBQMIFQ-UHFFFAOYSA-N 305.338 -0.311 30 20 DBED CC(=O)N(C)CC(=O)NC[C@H](C)N(C)c1ccc(C#N)nn1 1113498414 RHNRMPBXBQMJJG-JTQLQIEISA-N 304.354 -0.233 30 20 DBED C[C@@H](CNC(=O)c1cn(C)nn1)N(C)c1nccnc1C#N 1113581488 UOGIFKWUQVISSR-VIFPVBQESA-N 300.326 -0.269 30 20 DBED CNC(=O)CC(=O)N[C@H]1CN(c2cnc(C#N)cn2)CC[C@H]1C 1114012295 ZPVGFMUPHBQAHS-PWSUYJOCSA-N 316.365 -0.185 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3cc(C)ncn3)[C@H]2C1 1114143936 XEIROYQXJFLRSV-RYUDHWBXSA-N 313.361 -0.806 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)C3(CCOC)CC3)[C@H]2C1 1114387527 RNEQBBPOVCQERR-STQMWFEESA-N 319.405 -0.401 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)[C@@H](CC)N(C)C)[C@H]2C1 1114463760 LKNYTOJYOTZHLZ-RWMBFGLXSA-N 306.410 -0.878 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)c3ccc(C(N)=O)o3)[C@@H]2C1 1114539670 BFPSEJVMCPJHLT-GHMZBOCLSA-N 317.345 -0.312 30 20 DBED N#CCNC(=O)CN1C[C@H]2C(NC(=O)CCc3ccon3)[C@@H]2C1 1114570638 ISZNRCDHSNCGBI-VXGBXAGGSA-N 317.349 -0.707 30 20 DBED C=CCCCN1C[C@H]2C(NC(=O)[C@H](C)NS(C)(=O)=O)[C@@H]2C1 1114888819 OLQPZSPORISUMD-QJPTWQEYSA-N 315.439 -0.063 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N(CCO)C1CCOCC1 1116686945 SAINLJSZRPIBNF-UHFFFAOYSA-N 320.411 -0.230 30 20 DBED C[C@H]1CCCN1C(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1117318738 ZYGODRSDAMUIPE-AGKQBQDBSA-N 320.349 -0.360 30 20 DBED CSC[C@H](C)C(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1 1121239863 FBLFOMABCBTCHJ-UWVGGRQHSA-N 309.395 -0.342 30 20 DBED Cc1[nH]nc(C(=O)NC[C@H](CO)N=c2cc[nH]cc2C#N)c1C 1121248432 BEAWRLPKFQZTNT-GFCCVEGCSA-N 314.349 -0.082 30 20 DBED Cc1nc(C(=O)NC[C@@H](CO)N=c2cc[nH]c(C#N)n2)co1 1121372202 VGPVJUOGUUXQNC-VIFPVBQESA-N 302.294 -0.731 30 20 DBED CC(C)(C(N)=O)C(=O)NC[C@@H](CO)Nc1ncccc1C#N 1122197732 JHJAJWSGDRSPEC-JTQLQIEISA-N 305.338 -0.646 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)C[C@H]1CCCO1 1124032290 AZFYCUBVMUTEGP-LLVKDONJSA-N 312.370 -0.727 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)c1cccn1C 1124081394 XHAMJVZVLPFZSR-LLVKDONJSA-N 314.349 -0.346 30 20 DBED CN(C[C@@H](O)CNc1cncc(C#N)n1)C(=O)CC(C)(C)O 1124289518 GBBUMHVHSFSPAR-NSHDSACASA-N 307.354 -0.260 30 20 DBED CO[C@H](C)C(=O)N(C)C[C@@H](O)CN(C)c1cncc(C#N)n1 1124958374 SDJTUHSRQGKVKS-PWSUYJOCSA-N 307.354 -0.361 30 20 DBED CC(C)C#CC(=O)NCCNC[C@@H](O)COC1CCOCC1 1126823529 UYRCIGYCQXEEEX-CQSZACIVSA-N 312.410 -0.092 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1snnc1C1CC1 1129933035 DQUJGJMDOFVGKY-UHFFFAOYSA-N 307.379 -0.516 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H]2C[C@@H]3CN(CC=C)C[C@]2(C1)O3 1131217735 RIBIIHQPAOMBTH-CKEIUWERSA-N 317.389 -0.386 30 20 DBED C[C@H]1CN(C(=O)CNC(=O)C2CC2)C[C@@]2(CCN(CC#N)C2)O1 1131631048 BBTPCVNZBNOJLK-LRDDRELGSA-N 320.393 -0.272 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)Cn2c(O)nnc2O)CC[C@H]1C 1133271916 VLHSPGNPDHWRCU-VXGBXAGGSA-N 321.381 -0.213 30 20 DBED CCn1nncc1C(=O)N[C@H](C)C[C@H](C)NCC(=O)NCC#N 1134322083 OPGHKSBNKOUKLE-WDEREUQCSA-N 321.385 -0.576 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)Cn1cc(Cl)cn1 1134487102 IZUWUXCBNURXNK-SNVBAGLBSA-N 311.773 -0.620 30 20 DBED Cc1nn(C)cc1CCC(=O)NCCNCC(=O)NCC#N 1134717907 SMJAGWXOMSCRSI-UHFFFAOYSA-N 306.370 -0.993 30 20 DBED N#CCN1CCC2(C1)CN(C(=O)CNC(=O)C1CCOCC1)C2 1148458119 JXYYSEWCYDVDTO-UHFFFAOYSA-N 320.393 -0.413 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)[C@]2(C)CCNC(=O)C2)C1 1149886818 CGRHEWDEOXBHLT-CZUORRHYSA-N 307.394 -0.257 30 20 DBED C=CCN1CCCO[C@H](CNC(=O)CN2C(=O)CCC2=O)C1 1150684846 BPUMEOCWONTUNJ-GFCCVEGCSA-N 309.366 -0.472 30 20 DBED CC#CCN(CC)[C@H](C)CNC(=O)Cn1cnc(C(N)=O)n1 1153501909 YQQHAIHWPKRKFL-LLVKDONJSA-N 306.370 -0.773 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)c1ccc(C)nn1 1157760349 DCXUANLEURKBMJ-LBPRGKRZSA-N 303.366 -0.368 30 20 DBED C#CCO[C@H](C)C(=O)NCCCNCCN1C(=O)CCC1=O 1157881280 ZKKGYABKQXJAPO-GFCCVEGCSA-N 309.366 -0.730 30 20 DBED C#CCN(C)C[C@H]1CCCCN1C(=O)[C@H]1CC[C@@H](C(N)=O)O1 1158468634 XLHPATKGWWZESY-HZSPNIEDSA-N 307.394 -0.035 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1cnn2c1CCC2 1159460809 JSSRAKUJWFRIGZ-UHFFFAOYSA-N 303.366 -0.712 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)Cc1ncc(CC)[nH]1 1160254863 RYGDQJWQHPEOCW-GFCCVEGCSA-N 319.409 -0.252 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)[C@@H]2[C@H]3COC[C@H]32)C1=O 1164273543 MBCXIFGJJQUCEX-RFQIPJPRSA-N 307.394 -0.238 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)[C@@]1(C)CCC(=O)NC1 1164442405 ZWDPLWNXUIKAFU-WBMJQRKESA-N 324.425 -0.311 30 20 DBED C=CCNCC1(CCNC(=O)CS(=O)(=O)N(C)C)CC1 1167922997 RWCLZUAYGBSQGQ-UHFFFAOYSA-N 303.428 -0.060 30 20 DBED C#CCNC(=O)CNCCCNC(=O)C1(NC(C)=O)CCCC1 1168201774 XCINACGBUHWYID-UHFFFAOYSA-N 322.409 -0.719 30 20 DBED CCN(CCC#N)C(=O)CNCCCNC(=O)c1ncccn1 1168943166 QWXUOUADVDRNIT-UHFFFAOYSA-N 318.381 -0.052 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)CCN(C)C)[C@H]1C 1179485804 ABQDWYHAQNBUFV-RDBSUJKOSA-N 308.426 -0.345 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H](C2CC2)N(C)C)C1 1183266840 GMRBSTSDXICBOX-HIFRSBDPSA-N 306.410 -0.734 30 20 DBED N#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)CCC2CCC2)C1 1192069216 DJQIXQLVCOSLMW-CHWSQXEVSA-N 308.382 -0.632 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@@H]1CCN(C(=O)CN(CC)CC)C1 1192947769 MQUNIZNPMLAARK-HUUCEWRRSA-N 322.453 -0.001 30 20 DBED CC#CCN(C)[C@H]1CCN(C(=O)[C@@H]2CN(C(C)=O)CCO2)C1 1193786064 DINNGWNYWQADEV-GJZGRUSLSA-N 307.394 -0.210 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(C[C@@H](O)COC)C[C@H]2O)cc1 1195204381 DPQIJKFYZOVVGQ-BZUAXINKSA-N 318.373 -0.550 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)c2ncoc2C2CC2)C1 1197487032 VWJZVEDPCGXLKY-CHWSQXEVSA-N 319.361 -0.023 30 20 DBED C=CCOCC(=O)N1CCCO[C@H](CNCc2nnn(C)n2)C1 1200108713 HVDQPAAKWRNBIT-GFCCVEGCSA-N 324.385 -0.880 30 20 DBED C#CCCCC(=O)N1CCCO[C@@H](CNCc2nnn(C)n2)C1 1200404025 GNNXQFVMNWHLNS-ZDUSSCGKSA-N 320.397 -0.279 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)c2nonc2C)CCCO1 1202227809 WSBUQINSILGURK-CYBMUJFWSA-N 322.365 -0.151 30 20 DBED CO[C@H](C(=O)N1CCC(NCC(=O)NCC#N)CC1)C(C)C 1202322348 GGAVCVDPLUTVOU-AWEZNQCLSA-N 310.398 -0.122 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)c2cccnn2)CC1 1203026385 HMACHPIBGWRSOJ-UHFFFAOYSA-N 303.366 -0.027 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)[C@@H]2[C@H]3COC[C@H]32)CC1 1205955037 MYIBZNJRZGLRPY-FOLVSLTJSA-N 319.405 -0.544 30 20 DBED CN(C)S(=O)(=O)CCC(=O)N1CCC(CNCC#N)CC1 1206946823 TVCJQVNOPJHCHD-UHFFFAOYSA-N 316.427 -0.380 30 20 DBED C#CCCN[C@H]1CCCN(C(=O)Cn2nc(C)n(C)c2=O)C1 1210892429 KNPHIIUDPAMHMG-ZDUSSCGKSA-N 305.382 -0.506 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN([C@@H](CC)C(N)=O)C[C@H]1OC 1213963873 NDTGECVXMZCEBJ-FRRDWIJNSA-N 313.398 -0.342 30 20 DBED N#CCSCC(=O)N1CCO[C@@H]2CN(Cc3cnon3)C[C@@H]21 1217331081 KCJTWIZJXHUMCG-NWDGAFQWSA-N 323.378 -0.262 30 20 DBED CCCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H](C)C#N 1217532652 MQHHGRWKJMLGNO-FRRDWIJNSA-N 308.382 -0.416 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CN3CCC2CC3)C1 1219643030 BVIYQEKZWAEFFN-OAGGEKHMSA-N 321.421 -0.861 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)CCC(C)(F)F)C1 1219898362 BPRDQJNTRWZRQN-MNOVXSKESA-N 317.336 -0.668 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2cc(C)[nH]c2C)C1 1220427834 PJGJEEOVVDQJMB-KGLIPLIRSA-N 320.393 -0.291 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)CS(=O)(=O)C(C)(C)C)C1 1220757520 JVYFDMCMAWJPJN-MNOVXSKESA-N 304.412 -0.453 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2ncnn2C)C[C@@H]1O 1221143984 YZLWPZZPHUYSNZ-TUAOUCFPSA-N 309.370 -0.933 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)CNC(=O)N3CCCC3)[C@@H]2C1 1221541058 LVAUHUSKJDAFTG-ZIAGYGMSSA-N 304.394 -0.042 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)[C@@H]2C[C@@H]2OCC)CC1 1222455483 RTGMNUXNHSRKAA-CABCVRRESA-N 321.421 -0.011 30 20 DBED COCC#CCN[C@@H]1CCCC[C@H]1NC(=O)CCn1cnnn1 1229301678 VTFPLQXMKUDBPE-ZIAGYGMSSA-N 320.397 -0.270 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@@H]1CN(C)C(=O)CSCC#N 1230818651 ANXBWQIBGHLPOB-QWHCGFSZSA-N 322.434 -0.086 30 20 DBED CN(C[C@H]1CCN1CC(=O)NCC#N)C(=O)c1cncs1 1230907133 JPPYLCDDQWNAST-SNVBAGLBSA-N 307.379 -0.071 30 20 DBED C#CCCCCC(=O)N(C)C[C@H]1CCN1CC(=O)NC(N)=O 1233760299 AUUSWSFIVCKMAL-GFCCVEGCSA-N 308.382 -0.092 30 20 DBED C#CCCCNC(=O)C(=O)N(CCC)[C@H]1CCS(=O)(=O)C1 1259925358 HXPVQANWFACIEG-LBPRGKRZSA-N 314.407 -0.058 30 20 DBED C[C@H](O)CN(C(=O)C(=O)Nc1cccc(C#N)n1)[C@H](C)CO 1261460787 OTUZEYGKCFDVDQ-ZJUUUORDSA-N 306.322 -0.518 30 20 DBED C=C[C@](C)(O)C(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CCNCC1 1263129320 INPAADONMCILMT-XEZPLFJOSA-N 322.409 -0.330 30 20 DBED C#CCNC(=O)CN1CC[C@@H](N(C)C(=O)C[C@H]2CCOC2)C1 1318424485 JOJLGMNISGLDAM-ZIAGYGMSSA-N 307.394 -0.305 30 20 DBED CCOC(=O)CN(C)C(=O)CCN/C(O)=C1/N=CC=CC1=O 1319273535 YXCCUPNUAQMZGE-YPKPFQOOSA-N 309.322 -0.076 30 20 DBED C[C@@H](CNC(=O)C(=O)N1CCO[C@@H](C#N)C1)N1CCCCC1 1321736709 XGFUFOHYSGVPRH-STQMWFEESA-N 308.382 -0.272 30 20 DBED C[C@H]1c2nncn2CCN1C(=O)C(=O)N[C@@H]1CC[C@H](C#N)C1 1326718459 LAFVWPJNPLXOGJ-GARJFASQSA-N 302.338 -0.010 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCC[C@@]12CCOC2=O)[C@@H]1CCCO1 1327257238 AJJJDJFAOQQTRN-MKBNYLNASA-N 320.345 -0.409 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 1329039740 FWYCMVZYLIMGHG-LLVKDONJSA-N 309.366 -0.473 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC(F)CC2)c1=O 1331022730 UQBKPJFZTQVISI-UHFFFAOYSA-N 324.356 -0.065 30 20 DBED C=C(CO)C(=O)N1[C@@H](C)SC[C@H]1C(=O)NCCC(=O)OC 1331644801 OQPDNHMBSRHQEI-ZJUUUORDSA-N 316.379 -0.496 30 20 DBED C=CCCSCCNC(=O)C(=O)N[C@@H]1CCS(=O)(=O)C1 1336326061 HWQAUBSTVYUAKJ-SNVBAGLBSA-N 320.436 -0.285 30 20 DBED C#CCn1ccc(CN(CC)c2nnnn2CCNC(C)=O)n1 1337333516 LWKMYAHMRYIALF-UHFFFAOYSA-N 316.369 -0.335 30 20 DBED C=CCS(=O)(=O)CCNC(=O)NC[C@H](O)C1CCOCC1 1337596601 XTKULOXXTONBJO-LBPRGKRZSA-N 320.411 -0.326 30 20 DBED CS(=O)(=O)c1ccc(CNC(=O)NCC(=O)NCC#N)cc1 1342556123 SYYMOSVODBKWLC-UHFFFAOYSA-N 324.362 -0.471 30 20 DBED C#CCSCC(=O)N[C@@H](C)C(=O)N1CCS(=O)(=O)CC1 1350574495 SPDCZBLMIDBZSI-JTQLQIEISA-N 318.420 -0.886 30 20 DBED C=CC1CCN(c2nnnn2CCN2C(=O)CNC2=O)CC1 1352491685 RAVCFYLKNIAGMK-UHFFFAOYSA-N 305.342 -0.373 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[C@@H](N)C2)CCN1C1CC1 1353047284 DKFRITLLLFOBTE-MBNYWOFBSA-N 319.409 -0.429 30 20 DBED N#Cc1cn(CC(=O)N[C@@H](CO)c2ccccc2)c(=O)nc1O 1362104266 BCSUIYNAIADAHM-LBPRGKRZSA-N 314.301 -0.330 30 20 DBED N#Cc1cn(CCC(=O)N[C@H]2CC[C@H](CO)CC2)c(=O)nc1O 1362199804 OAGCXNAJUFZXED-UMSPYCQHSA-N 320.349 -0.122 30 20 DBED CN(C)S(=O)(=O)N[C@H](CNC(=O)CC#N)C1CCCC1 1362716279 MIBKOVLIMSCRHQ-LLVKDONJSA-N 302.400 -0.029 30 20 DBED Cc1nnc(CN(C)C(=O)Cn2cc(C#N)c(O)nc2=O)s1 1363302053 OOUINXFFOLWZIY-UHFFFAOYSA-N 320.334 -0.361 30 20 DBED CCOC(=O)N[C@@H]1CCCN(c2[nH]c(=O)n(C)c(=O)c2C#N)C1 1364127101 FLFWSRJBTZQUNG-SECBINFHSA-N 321.337 -0.340 30 20 DBED C[C@H](O)C(=O)N1CCN(S(=O)(=O)CC(C)(C)C#N)CC1 1365389966 NZUHAIZKYHHXJV-JTQLQIEISA-N 303.384 -0.609 30 20 DBED C=C(Cl)CNC[C@H](O)CNC(=O)[C@H]1CCCC(=O)N1C 1367617269 KTFONPYYTQVMLN-WDEREUQCSA-N 303.790 -0.184 30 20 DBED CCC[C@@H](NC(N)=O)C(=O)NCC1CN(C(=O)[C@H](C)C#N)C1 1374878507 PRCAEOVVVVSPRL-MWLCHTKSSA-N 309.370 -0.442 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CCCN1C(=O)CCn1cncn1 1388332742 DHYQVEXVSBKCMD-NWDGAFQWSA-N 304.354 -0.065 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)CN(C)c1ccccc1 1392124648 CCOHUZKLQMEYJR-TZMCWYRMSA-N 318.377 -0.124 30 20 DBED CCC(=O)NCC(=O)NCC1CN(C(=O)c2ccc(C#N)[nH]2)C1 1398741578 PHCWWQLZPUEPOC-UHFFFAOYSA-N 317.349 -0.399 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CN(C)C(=O)Cc1cncn1C 1405635229 ZJSIILOSYQOEJQ-PWSUYJOCSA-N 307.354 -0.942 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1ccc2cccnn12 1410139671 QXKXEDZHDVTIOK-JQWIXIFHSA-N 315.333 -0.299 30 20 DBED CCN(C)C(=O)CNC[C@H](O)CN(C)C(=O)c1cc(C#N)c[nH]1 1410992708 UNSOXAAEGDJCLO-LBPRGKRZSA-N 321.381 -0.613 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CCN(C(=O)[C@@H]2CCCN2C(N)=O)C1 1414555909 XJOHKBUVHNKBJI-MXWKQRLJSA-N 307.354 -0.594 30 20 DBED N#Cc1ncn(CCNC(=O)N[C@H]2CCO[C@@]3(CCOC3)C2)n1 1414587918 WWYNHGLFUMTZGG-FZMZJTMJSA-N 320.353 -0.213 30 20 DBED C[C@@H](C#N)C(=O)NC1CN(C(=O)[C@@H]2CCCc3nn[nH]c32)C1 1416047203 PTGAZZLDUGONOT-WCBMZHEXSA-N 302.338 -0.289 30 20 DBED C[C@H](CNC(=O)[C@H](C)C#N)NC(=O)c1ccnc2c1nnn2C 1430754709 QDGPPRUNZVWSTI-RKDXNWHRSA-N 315.337 -0.243 30 20 DBED CN(CCNC(=O)[C@H]1CCNC(=O)C1)C(=O)c1c[nH]c(C#N)c1 1448799236 OQWIBXJSJHZUJJ-JTQLQIEISA-N 317.349 -0.399 30 20 DBED CCN(CCNC(=O)CCNS(C)(=O)=O)C(=O)[C@@H](C)C#N 1449398229 AFVNWBUCSYLNGO-JTQLQIEISA-N 318.399 -0.950 30 20 DBED CC(C)[C@H](CNC(=O)CS(C)(=O)=O)NC(=O)[C@H](C)C#N 1500760729 MZLTZSFIGQRODE-ZJUUUORDSA-N 303.384 -0.552 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)c2ccn(C)c(=O)c2)CC1 1535594868 SQGPQIGJGWJRTR-JTQLQIEISA-N 302.334 -0.076 30 20 DBED C#CC[C@]1(C(=O)N[C@@H](CO)[C@H](O)c2ccccn2)CCCN1 1574517916 RRAAZHUTPVDPDN-SQWLQELKSA-N 303.362 -0.262 30 20 DBED Cc1nc(O)c2c(n1)CN(c1cnc(-c3nn[nH]n3)c(C#N)n1)C2 1581530502 CSWDUJNYNAUOBW-UHFFFAOYSA-N 322.292 -0.147 30 20 DBED C#CCCCC(=O)NCCCN=c1cc[nH]c(-c2nn[nH]n2)n1 1588340309 LRMHZYGIIQHKLG-UHFFFAOYSA-N 314.353 -0.200 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N1CCC[C@H](C(=O)O)C1 1588389864 CUILJBRRLFSJGC-NWDGAFQWSA-N 310.350 -0.146 30 20 DBED C#CCN(CC(=O)O)C(=O)c1cc(S(N)(=O)=O)ccc1O 1588416975 ZRZNZXSITIYUAL-UHFFFAOYSA-N 312.303 -0.800 30 20 DBED C#CCC1(O)CCN(C(=O)NCCn2cc(C(=O)O)nn2)CC1 1588431125 HICRFULHTVFPCN-UHFFFAOYSA-N 321.337 -0.464 30 20 DBED CC#CC[C@@H](CO)NC(=O)c1nc(O)c(-c2nn[nH]n2)cc1C 1588738819 SGIGBMPTUDBUQC-VIFPVBQESA-N 316.321 -0.220 30 20 DBED Cn1c(=O)[nH]c(N2CC[C@@]3(C(=O)O)CCC[C@@H]23)c(C#N)c1=O 1600894052 PAFMMDYBYYNWBZ-OTYXRUKQSA-N 304.306 -0.221 30 20 DBED N#CC1(C(=O)O)CCN(C(=O)[C@@]2(F)CCS(=O)(=O)C2)CC1 1601049625 TWAADXYJKMDSDO-GFCCVEGCSA-N 318.326 -0.270 30 20 DBED N#CC1(NC(=O)CN2CCNC(=O)[C@@H]2CC(=O)O)CCCCC1 1601057387 WUZMDJOOGGMOAV-NSHDSACASA-N 322.365 -0.396 30 20 DBED C#CC[C@@H](NC(=O)Cc1ccc(S(=O)(=O)NC)cc1)C(=O)O 1602687106 IIBHPWXZJIENKN-GFCCVEGCSA-N 324.358 -0.270 30 20 DBED C[C@H](CNC(=O)C#CC1CC1)Nc1nccnc1-c1nn[nH]n1 1603521618 YCYYRZYTICYYNT-SECBINFHSA-N 312.337 -0.013 30 20 DBED COCC#CC(=O)NCCNc1ncccc1-c1nn[nH]n1 1605038492 XRVTUFIYIFQQMR-UHFFFAOYSA-N 301.310 -0.560 30 20 DBED COCC[C@H](COC)Nc1cnc(-c2nn[nH]n2)c(C#N)n1 1605079463 MCWCHSWOYFGQGX-MRVPVSSYSA-N 304.314 -0.008 30 20 DBED CCN(CCC#N)S(=O)(=O)N[C@@H](CC(=O)OC)C(=O)O 1605438784 OHUQMEHYHVWIMO-QMMMGPOBSA-N 307.328 -0.927 30 20 DBED N#CCNC(=O)CNC(=O)C(=O)Nc1cc(C(=O)O)cs1 1608188259 RTVWQVPPYRIZPB-UHFFFAOYSA-N 310.291 -0.859 30 20 DBED COC(=O)CN(CC(=O)O)S(=O)(=O)c1cccnc1C#N 1610183932 HNIHXLXGNBCQMI-UHFFFAOYSA-N 313.291 -0.798 30 20 DBED CO[C@]1(C(=O)N2CCN(CCC#N)CC2)CCS(=O)(=O)C1 1647407032 KTFIFFYIAPCOHP-CYBMUJFWSA-N 315.395 -0.752 30 20 DBED C=CCNC(=O)NC(=O)CN[C@@H](C)CNC(=O)c1ncccn1 1752908107 DFZGAYXFGITFBY-JTQLQIEISA-N 320.353 -0.804 30 20 DBED N#CCNC(=O)CNC[C@@H]1CCN(C(=O)c2ccc(F)cn2)C1 1752935036 PLSGZEVOVKDWIT-NSHDSACASA-N 319.340 -0.088 30 20 DBED COCC#CCN1[C@H]2CC[C@H]1CN(C(=O)[C@@]1(C)CCNC1=O)C2 1753309257 CKHFNGRZPRPDSA-ZQIUZPCESA-N 319.405 -0.162 30 20 DBED C=CCOCCN1CC(NC(=O)[C@H]2CCc3nnc(O)n3C2)C1 1753380667 LHLUWONBEZDTCK-NSHDSACASA-N 321.381 -0.451 30 20 DBED CC#CCN[C@@H](CNC(=O)CCn1ncn(C)c1=O)C(C)C 1753833512 DCNHTTXHZNLMES-ZDUSSCGKSA-N 307.398 -0.274 30 20 DBED C#CCNC(=O)CNC[C@@H](O)CNC(=O)C1(CC)CCCC1 1753932259 KTNXARYEXSASQK-CYBMUJFWSA-N 309.410 -0.227 30 20 DBED C=CCNC(=O)[C@@H](C)NC/C=C/CNC(=O)c1cnn(C)c1 1754094298 NEPNKAGOVUTOOE-BTDICHCPSA-N 305.382 -0.014 30 20 DBED C=CCCC(=O)NC/C=C/CNCC(=O)N1CCNC(=O)C1 1754100945 DRYHQLYDJWNGBA-SNAWJCMRSA-N 308.382 -0.827 30 20 DBED COCC#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1nnn(C)n1 1754869170 UGSXHQUYNINGAB-STQMWFEESA-N 318.381 -0.461 30 20 DBED C#CCNCC[C@H]1CCN(C(=O)[C@H](CCC)S(N)(=O)=O)C1 1754922939 CEIULLGMQBBOJK-STQMWFEESA-N 315.439 -0.095 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)Cc1c(C)nc(O)nc1O 1754972938 SBWKRHITWJPNRO-NSHDSACASA-N 320.349 -0.811 30 20 DBED C=CCOCCN[C@H](C)[C@@H](C)NC(=O)C1CC(=O)NC(=O)C1 1755257732 UUNOXXGVBILRTR-GHMZBOCLSA-N 311.382 -0.275 30 20 DBED C#CCN1CC([C@@H](C)NC(=O)CN(C)CC(=O)NC(C)C)C1 1755378334 LIJGSRDOAMZXJP-CYBMUJFWSA-N 308.426 -0.488 30 20 DBED C[C@@H](CN(C)C(=O)C[C@H]1CCCOC1)NCC(=O)NCC#N 1755618797 ZMKFPXHZCBDXFG-QWHCGFSZSA-N 310.398 -0.121 30 20 DBED CC(C)C#CC(=O)N(C)C[C@@H](O)CNC[C@@H]1CCc2ncnn21 1755776565 AXDJDRFMEYHYNP-KBPBESRZSA-N 319.409 -0.166 30 20 DBED C=CC(C)(C)C(=O)N(C)C[C@H](O)CN[C@H](C)c1nnnn1C 1755784955 FAAWEPXKIRYHDU-GHMZBOCLSA-N 310.402 -0.108 30 20 DBED C=CCNC[C@@H](O)CN(C)C(=O)Cc1c(C)nc(O)nc1O 1755790602 BTZKAYOZAWFRNV-SNVBAGLBSA-N 310.354 -0.666 30 20 DBED C#CCN(C)C[C@H](O)CN(C)C(=O)c1ccnc2[nH]cnc12 1755801958 MMSNSKBTKFULMR-NSHDSACASA-N 301.350 -0.044 30 20 DBED C#CCCCC(=O)N[C@H](CO)CNC(=O)c1cnc(C)cn1 1756502539 ONEYOENHMSNTEV-LBPRGKRZSA-N 304.350 -0.205 30 20 DBED CC#CCCCC(=O)NC[C@H](CO)NC(=O)[C@@H]1CCC(=O)NC1 1756543396 PHRATPLYYIZYCA-CHWSQXEVSA-N 323.393 -0.701 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)c2ccc(F)cn2)C[C@H]1O 1756985668 MRFQSAHWTTVJFG-CHWSQXEVSA-N 323.324 -0.275 30 20 DBED C#CCCCCC(=O)N[C@@H]1CN(C(=O)c2ccnnc2)C[C@@H]1O 1757166580 DWHQJSPDZBMUEK-KGLIPLIRSA-N 316.361 -0.028 30 20 DBED C#CCCCC(=O)N1CC[C@H]1CN(C)C(=O)[C@H]1C[C@H]1C(N)=O 1757308497 QAGUTOSXZLGOBP-XQQFMLRXSA-N 305.378 -0.029 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(C(=O)c2coc(C)n2)C[C@H]1O 1757562780 JNIXAQDFJBWNLT-WCQYABFASA-N 323.349 -0.123 30 20 DBED O=C1CC[C@H](C(=O)N2CCCC23CN(C(=O)C#CC2CC2)C3)N1 1842796020 XERSNEBOQFLTAZ-CYBMUJFWSA-N 315.373 -0.118 30 20 DBED C#CCCC(=O)N1CC2(CCCN2C(=O)CC[C@H](N)C(N)=O)C1 1842948480 SJERFQXVKJNCAC-LBPRGKRZSA-N 320.393 -0.804 30 20 DBED C#CC(=O)N1CCCC12CN(C(=O)c1ccnn1CCOC)C2 1845958853 DFJFWWJHDRKDGL-UHFFFAOYSA-N 316.361 -0.020 30 20 DBED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)c1csnn1)C2 1846194694 GUSOKPYGGOIEPK-UHFFFAOYSA-N 320.330 -0.557 30 20 DBED Cn1c(NCC(=O)NC2CCCCC2)c(C#N)c(=O)n(C)c1=O 58543884 GDESLTMLYQCNAF-UHFFFAOYSA-N 319.365 -0.184 30 20 DBED CCOc1ccc(C#N)cc1NC(=O)C(=O)N(C)CC(N)=O 67374349 LGLDGRMHDCENLZ-UHFFFAOYSA-N 304.306 -0.161 30 20 DBED CCOCCN1CCN(S(=O)(=O)N(C)CCC#N)CC1 111345712 CHBYGLBTAXUURM-UHFFFAOYSA-N 304.416 -0.269 30 20 DBED C[C@@H](O)C(=O)N1CCN(CC(=O)N[C@](C)(C#N)C2CC2)CC1 152941421 XLBIBXQQNIWJRL-IAQYHMDHSA-N 308.382 -0.680 30 20 DBED C#CCOCCC(=O)N1CCN(Cc2nc(COC)no2)CC1 187418226 JHJMLPCIRXHKOD-UHFFFAOYSA-N 322.365 -0.100 30 20 DBED N#Cc1ccc(S(=O)(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)cn1 268343074 LPDRWJURKFYOAW-ONGXEEELSA-N 310.335 -0.736 30 20 DBED CNC(=O)[C@@H]1CN(C[C@H](O)COc2ccc(C#N)cc2)CCO1 272908876 QZITXJUKBACWLD-ZFWWWQNUSA-N 319.361 -0.255 30 20 DBED CCOC(=O)[C@H]1CCCN1c1c(C#N)c(=O)n(C)c(=O)n1C 276800790 QVMHJDKGBVWHNO-SNVBAGLBSA-N 306.322 -0.512 30 20 DBED C=C(C)[C@H](CC(=O)NCCC(=O)NS(C)(=O)=O)OCC 282344406 WKVFDASGHRAPIC-JTQLQIEISA-N 306.384 -0.060 30 20 DBED C[C@@H](Nc1c(C#N)c(=O)n(C)c(=O)n1C)C(=O)NC(C)(C)C 299349316 MACKFZYCRKPLNH-MRVPVSSYSA-N 307.354 -0.329 30 20 DBED CN1CCO[C@H](C/N=C(/O)N2CC[C@@H](N3CCCC3=O)C2)C1 330115399 UDGXGRSWHRQTAX-CHWSQXEVSA-N 310.398 -0.072 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@@]1(O)CCO[C@@H]1C 330373357 BFBDVGMNWYQXSQ-UTUOFQBUSA-N 305.400 -0.158 30 20 DBED CN1CC[C@H](/N=C(/O)c2csc(S(N)(=O)=O)c2)C1=O 330824493 FJCXSWSHOGJBOD-ZETCQYMHSA-N 303.365 -0.069 30 20 DBED N#CCN1CCN(S(=O)(=O)CCCN2CCOCC2)CC1 330908176 FQTMNUBTWJEBEZ-UHFFFAOYSA-N 316.427 -0.820 30 20 DBED CN(C)C(=O)c1cc(N=C(O)N2CCN(CCO)CC2)ccn1 331350258 VKTFDHZZQFRLHE-UHFFFAOYSA-N 321.381 -0.061 30 20 DBED CC(C)COC[C@@H](O)CNS(=O)(=O)N(C)C[C@@H](C)C#N 337088646 HNNQQRCHWRDFFI-RYUDHWBXSA-N 307.416 -0.054 30 20 DBED COC[C@](C)(C#N)NC(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O 342900181 ZZLFNXKPBVZSOJ-RWSFTLGLSA-N 305.334 -0.018 30 20 DBED CCN1CCN(C[C@@H](C)CNC(=O)NCC(=O)NCC#N)CC1 345104016 INKVWXNVGSBRCT-ZDUSSCGKSA-N 324.429 -0.801 30 20 DBED C=CCN1C(=O)C(=O)N(Cc2nc(-c3nccn3C)no2)C1=O 356966687 SDEQAGZLBZTLII-UHFFFAOYSA-N 316.277 -0.053 30 20 DBED C=CCNC(=O)CNC(=O)N1CCC[C@H](S(C)(=O)=O)C1 359290115 MMNYQTXEYGEWOD-JTQLQIEISA-N 303.384 -0.493 30 20 DBED COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N1CCN(CC#N)CC1 408374157 JDQVQOBBGGXNSK-NEPJUHHUSA-N 315.395 -0.201 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2cc(C)nn2C)C1=O 440270298 WHTMQENQWSNVMU-NSHDSACASA-N 319.365 -0.088 30 20 DBED C#C[C@@H](CC)NC(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 491229096 DUXHKCHTHCADNK-QWRGUYRKSA-N 315.395 -0.609 30 20 DBED CC(C)NC(=O)[C@H](C#N)C(=O)[C@H]1CCCN(S(C)(=O)=O)C1 528918668 KFBRHJRDFJKFEY-WDEREUQCSA-N 315.395 -0.109 30 20 DBED CC(C)(C)n1nnc(CNC(=O)N2CC[C@@](O)(CC#N)C2)n1 594260819 HGMZEHASANFLOZ-ZDUSSCGKSA-N 307.358 -0.012 30 20 DBED Cn1nnc2c1CC[C@@H](Nc1c(C#N)c(=O)n(C)c(=O)n1C)C2 594598307 HUBJOOSUTJRLGD-MRVPVSSYSA-N 315.337 -0.946 30 20 DBED CN(CCOCCNc1ccc(C#N)nn1)c1ccc(C#N)nn1 596501072 BJMQPFQIMBYCHP-UHFFFAOYSA-N 324.348 0.575 30 20 DBED CO[C@@H]1CN(S(=O)(=O)N(C)CCC#N)[C@@](C)(C(=O)O)C1 600656401 CNCUBUVPQKCZFE-GXSJLCMTSA-N 305.356 -0.359 30 20 DBED CNC[C@@H]1CCCN(C(=O)C(=O)N2CCN(CCC#N)CC2)C1 601585058 WBMRLRHFDTXULV-AWEZNQCLSA-N 321.425 -0.498 30 20 DBED CNC[C@H]1CCN(C(=O)C(=O)N2CCN(CCC#N)CC2)C1 601585879 ZHVQGPKJLBFCBW-CYBMUJFWSA-N 307.398 -0.888 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN(CC(=O)NC)CC1 611997959 GQSWHKRPRMMSKA-ZDUSSCGKSA-N 310.398 -0.653 30 20 DBED COCCn1cc(NC(=O)C(=O)N2CC[C@@](F)(C#N)C2)cn1 615631922 ICNGOPZGWYATTE-CYBMUJFWSA-N 309.301 -0.068 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(C)CC2(C)COC2)C1=O 628671720 QRFAYHYHXRJSPG-UHFFFAOYSA-N 309.322 -0.542 30 20 DBED Cc1nn(CCC(=O)OCC(=O)NCC#N)c(C)c1[N+](=O)[O-] 731243363 LZSVYUBPEOPTSZ-UHFFFAOYSA-N 309.282 -0.019 30 20 DBED CNC(=O)CNC(=S)NN=C(C)c1c(C)nc(O)nc1O 731927516 JRKDFUGQYKANSH-UHFFFAOYSA-N 312.355 -0.870 30 20 DBED COCCN1C(=O)c2ccc(C(=O)NCC#N)cc2S1(=O)=O 749609186 VPIDQSIUICCGTQ-UHFFFAOYSA-N 323.330 -0.269 30 20 DBED C#C[C@H](NC(=O)CN(C)[C@H]1CCS(=O)(=O)C1)[C@@H]1CCCO1 776262634 FPBHDDWALDZUQS-AVGNSLFASA-N 314.407 -0.598 30 20 DBED C=CCS(=O)(=O)CCNC(=O)NC[C@]1(O)CCO[C@H]1C 789173340 MZRITVLKOJDKPQ-CMPLNLGQSA-N 306.384 -0.574 30 20 DBED CC[C@H]1CCC1=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 807979192 NWLHZUHZJFKZAW-QMMMGPOBSA-N 314.367 -0.462 30 20 DBED C#CCONC(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1 812781185 JYFNXNIZBZMFEE-LBPRGKRZSA-N 304.281 -0.073 30 20 DBED C#CCOCCNC(=O)N(C)[C@H]1CCN(S(C)(=O)=O)C1 813711134 LURFFPSQZDMLOF-NSHDSACASA-N 303.384 -0.689 30 20 DBED CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@](C)(C#N)CC(=O)O)C1 820361257 XYRWJIPVAGCYIJ-SKDRFNHKSA-N 317.367 -0.469 30 20 DBED O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)N[C@H]1CCCN(O)C1=O 820476305 KAMMDXRHAUSPTI-MXWKQRLJSA-N 323.349 -0.342 30 20 DBED C#CCN1CCN(S(=O)(=O)N=S2(=O)CCCC2)CC1 820796522 MPMHWUKUVUOPOK-UHFFFAOYSA-N 305.425 -0.256 30 20 DBED CN1C(=O)CC[C@@H]1C(=O)NS(=O)(=O)c1ccc(C#N)cc1 821620106 YKEGHXICIUDRNV-LLVKDONJSA-N 307.331 -0.016 30 20 DBED N#Cc1c(-c2nn[nH]n2)nc(N)n1CCOC[C@H]1CCCO1 822815650 VLGROHZIWIOYCE-MRVPVSSYSA-N 304.314 -0.287 30 20 DBED Cn1c(=O)n(CCC(=O)N[C@@H]2CNC[C@H]2C#N)c2ccccc21 834516497 IZZMBUNXHBVWJN-VXGBXAGGSA-N 313.361 -0.042 30 20 DBED C#CC[C@H](CCOC)NC(=O)N1CCN(S(C)(=O)=O)CC1 859023738 CXAJPDPGKDKIOG-GFCCVEGCSA-N 317.411 -0.298 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2c(F)cncc2F)CC1 874343207 VHCVNDNPSWBDJE-UHFFFAOYSA-N 322.315 -0.133 30 20 DBED Cc1c[nH]c(C(=O)NC[C@H]2CN(C(=O)[C@H](C)C#N)CCO2)n1 944611627 SMZMBBFZDRKUPU-KOLCDFICSA-N 305.338 -0.165 30 20 DBED N#CCN1CCOC2(CCN(C(=O)Cn3nccn3)CC2)C1 949379056 LVDZBGBHJIMJEO-UHFFFAOYSA-N 304.354 -0.505 30 20 DBED NC(=O)C(=O)NC1C[C@@H]2CCC[C@H](C1)N2C(=O)C#CC1CC1 952427832 FEXUBGJJOSZPPQ-YHWZYXNKSA-N 303.362 -0.087 30 20 DBED CN(C(=O)c1ccc2nnnn2c1)C1CN(C(=O)C#CC2CC2)C1 954764256 APOBDCWSWUIWFV-UHFFFAOYSA-N 324.344 -0.180 30 20 DBED CC#CCN1C[C@@H](O)[C@H](CNC(=O)c2cnn3c2CCC3)C1 958120907 BRTOIQHENDAZTC-IUODEOHRSA-N 302.378 -0.125 30 20 DBED C=C(C)C(C)(C)C(=O)N1C[C@H](O)[C@H](NC(=O)Cn2nccn2)C1 964031378 FEVAKBGECCPZKJ-NEPJUHHUSA-N 321.381 -0.432 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CN(C(=O)c3nc[nH]n3)CCO2)C1 965443380 YRQXUQQFPVFHNF-SECBINFHSA-N 304.310 -0.982 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@H](NC(=O)[C@H]2CCNC2=O)C1 969527295 XDHLRAVSJUYFMK-AXFHLTTASA-N 309.366 -0.977 30 20 DBED C#Cc1cncc(C(=O)N[C@H](C)C2CN([C@@H](C)C(N)=O)C2)c1 970402280 WOHWLIGOFKJRRJ-MNOVXSKESA-N 300.362 -0.013 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)CS(C)(=O)=O)[C@@H]2C1 971480744 YZWWIKOOLAUZGH-HBNTYKKESA-N 313.379 -0.750 30 20 DBED CN1C[C@H](C(=O)N2CC[C@]3(CN(CC#N)CCO3)C2)CC1=O 972406187 CRMDLVHDOWQTMS-DOMZBBRYSA-N 306.366 -0.708 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)[C@H]3CC(=O)N(CC)C3)C2)C1 972406896 IHDNIHKNNLMUTP-YOEHRIQHSA-N 319.405 -0.209 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)c3cnn(C)c3N)C[C@H]21 974976917 YXETZABEOFICDM-HOSYDEDBSA-N 316.365 -0.165 30 20 DBED C#CCN1C[C@H]2[C@H](CNC(=O)c3ccnc4nc(C)nn34)[C@H]2C1 978942889 SVUOSNBDQXBSOE-XYYAHUGASA-N 310.361 -0.026 30 20 DBED N#CCN1CCCN(C(=O)[C@@H]2Cc3cncn3C(=O)N2)CC1 981662958 GAAGAQZFDKWFEP-LBPRGKRZSA-N 302.338 -0.577 30 20 DBED C[C@H]1C[C@@H](NCC#N)CN1C(=O)CN1CCCS1(=O)=O 988929426 SRSWDVAWKHEWJM-WDEREUQCSA-N 300.384 -0.876 30 20 DBED C=CCN[C@H]1C[C@H](C)N(C(=O)CN2C(=O)C(=O)N(C)C2=O)C1 989513368 CQMPHUILCBDDTB-UWVGGRQHSA-N 308.338 -0.828 30 20 DBED C=CCn1cc(C(=O)N2CC(NC(=O)Cc3ccon3)C2)nn1 990565181 SXFLQHNPPNEHIB-UHFFFAOYSA-N 316.321 -0.365 30 20 DBED C=CC(C)(C)C(=O)N1CC(NC(=O)[C@H]2CCS(=O)(=O)N2)C1 991827640 UDZGLTXQWRSMGP-SNVBAGLBSA-N 315.395 -0.783 30 20 DBED C[C@H](C#N)C(=O)N1CC(NC(=O)c2cccc(C(N)=O)c2)C1 995118032 SZLZHYGBVFLXRL-SECBINFHSA-N 300.318 -0.114 30 20 DBED CN(C)[C@@H](Cn1cccn1)C(=O)N1CCC[C@H](NCC#N)C1 999352050 ICLYDLHNTUDLGS-KBPBESRZSA-N 304.398 -0.083 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)C[C@H]2CCC(=O)N2)C1 1000009640 RAFXIZMZVVLQHX-RTXFEEFZSA-N 321.377 -0.427 30 20 DBED COCC(=O)N1C[C@H]2C[C@@H]3CN(C(=O)C#CC4CC4)C[C@@]3(C1)O2 1001628500 ZQERJTIUARWFBK-CPUCHLNUSA-N 318.373 -0.126 30 20 DBED O=C1N[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C#CC2CC2)CO1 1002354482 MJBXSJPDKVTEHN-NDBYEHHHSA-N 317.345 -0.244 30 20 DBED C[C@H](C#N)C(=O)N1CC(CNC(=O)[C@H]2CCc3nn[nH]c3C2)C1 1003315961 ZMBNXMYBCQGWIE-KOLCDFICSA-N 316.365 -0.356 30 20 DBED C#Cc1ccc(C(=O)NCC2CN(C(=O)c3[nH]nnc3C)C2)nc1 1003467035 AWLPLFLOTSKSQF-UHFFFAOYSA-N 324.344 -0.009 30 20 DBED N#Cc1ccc(C(=O)N2CC(CNC(=O)[C@H]3C[C@H]3C(N)=O)C2)[nH]1 1004464009 YWPXUDMJCDXOMJ-MNOVXSKESA-N 315.333 -0.804 30 20 DBED C#CCCN1CCC(N(C)C(=O)CN2CCN(C)C(=O)C2)CC1 1005627880 DGKMWDSDZMOJKX-UHFFFAOYSA-N 320.437 -0.294 30 20 DBED C#CCCN1CC[C@H](NC(=O)CN2CCCCS2(=O)=O)C1 1015291324 SCJRSNKDTCTCKW-ZDUSSCGKSA-N 313.423 -0.374 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)C1 1016337915 BHFHSHCTMFWWMU-GFCCVEGCSA-N 320.397 -0.254 30 20 DBED C#CCCN1[C@H]2CC[C@H]1CC(NC(=O)CN1CCOCC1=O)C2 1021281157 OFDWIUVBJBNYGY-GJZGRUSLSA-N 319.405 -0.020 30 20 DBED C=CCN1CC[C@@H](N[C@H]2C[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)C1=O 1022726500 YKXDFWIRPGMFOK-RXGFPQBGSA-N 320.393 -0.869 30 20 DBED C=C[C@@](C)(CC)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnn(C)n2)C1 1024659457 UIAZIFXYPJGHOY-JMSVASOKSA-N 321.381 -0.281 30 20 DBED C=CCn1cc(C(=O)N2CCC[C@@H](N(C)CC(N)=O)C2)nn1 1027607303 VIXJIJDWJQYYDA-LLVKDONJSA-N 306.370 -0.514 30 20 DBED C#CCCN1CCC[C@H]1CNC(=O)c1cn(C)c(=O)nc1O 1028312675 OUEYDIIVZUPNQJ-NSHDSACASA-N 304.350 -0.297 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)Cc3n[nH]c(C)n3)C2)C1=O 1030291636 DHKKFEZSMDYCQC-GFCCVEGCSA-N 318.381 -0.757 30 20 DBED C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)CN1CCNC(=O)C1 1032559005 QIDDOIZKSOWNLQ-KBPBESRZSA-N 306.410 -0.331 30 20 DBED C=CCn1cc(C(=O)N(C)[C@@H]2CCN(CC(=O)N(C)C)C2)nn1 1033484726 SWBUNUMMJRTZQS-GFCCVEGCSA-N 320.397 -0.301 30 20 DBED C#CCN1CC[C@H](N(C)C(=O)Cn2nc3n(c2=O)CCCC3)C1 1033569703 XPLURBSAABNGDH-ZDUSSCGKSA-N 317.393 -0.453 30 20 DBED C#Cc1ccc(C(=O)N(C)[C@@H]2CCN(CC(=O)NC)C2)nc1 1033595014 YYBASXQECIAVBZ-CYBMUJFWSA-N 300.362 -0.045 30 20 DBED C#Cc1cncc(C(=O)N[C@H]2[C@H]3C[C@H]2N(CC(=O)N(C)C)C3)c1 1037583409 XMTWADNUIZHVFA-LZWOXQAQSA-N 312.373 -0.046 30 20 DBED C=C(C)CN1C[C@H]2C[C@H]1[C@H]2NC(=O)c1nccnc1C(N)=O 1037724164 YZXOLLBYDFAHQL-VWYCJHECSA-N 301.350 -0.046 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)CC2(O)CCC2)C1 1039670451 UEWXSXFELFJJMI-IAQYHMDHSA-N 309.366 -0.469 30 20 DBED C=CCOCC(=O)N1CC[C@](O)(CNC(=O)c2nc(C)c[nH]2)C1 1039832588 QMXQHDNODNTWKL-HNNXBMFYSA-N 322.365 -0.386 30 20 DBED Cc1cnoc1C(=O)N1CC[C@](O)(CNC(=O)[C@@H](C)C#N)C1 1040759285 GWIUFCKWRASFLR-XPTSAGLGSA-N 306.322 -0.164 30 20 DBED Cc1cc(N2C[C@@H](O)[C@H](NC(=O)c3cc[nH]n3)C2)c(C#N)cn1 1040928884 VGQGESAUAWWRHU-TZMCWYRMSA-N 312.333 -0.036 30 20 DBED C[C@@]1(C(=O)N[C@@H]2CN(c3ccnc(C#N)n3)C[C@H]2O)CCOC1 1041147817 PPRYPCGJHMLISQ-UEKVPHQBSA-N 317.349 -0.559 30 20 DBED N#Cc1cncc(N2C[C@@H](O)[C@H](NC(=O)[C@@]34COC[C@@H]3C4)C2)n1 1041401447 NYNZYQASWFPIFF-NFOTXUCKSA-N 315.333 -0.950 30 20 DBED CCCOCC(=O)N1CC(O)(CNC(=O)CSCC#N)C1 1041569266 RWOFFSJNNWUSJZ-UHFFFAOYSA-N 315.395 -0.641 30 20 DBED C=CCCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2cnco2)C1 1041869379 HWURWCUPXFQOGX-NSHDSACASA-N 323.349 -0.041 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)CO[C@@H](C)CC)C1 1042040625 WMQWKMCCTWNHCI-LBPRGKRZSA-N 314.382 -0.306 30 20 DBED COCCC(=O)N1CC(O)(CNC(=O)c2ccc(C#N)[nH]2)C1 1042608499 DWLSYDOKVNRUDJ-UHFFFAOYSA-N 306.322 -0.774 30 20 DBED CO[C@H]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042963113 HFHDDKZOALCGSN-KGLIPLIRSA-N 320.389 -0.096 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)[C@H]2CC2(F)F)C1 1043033236 UWEPILOREPCETB-SNVBAGLBSA-N 316.304 -0.629 30 20 DBED C=C(C)CCC(=O)NCC1(O)CN(C(=O)[C@H](C)n2cncn2)C1 1043310108 CJBYCNKGNFRUMG-LBPRGKRZSA-N 321.381 -0.115 30 20 DBED C=CCCOCC(=O)NCC1(O)CN(C(=O)c2ccncc2)C1 1043565049 JMVYLXDWQIKFNE-UHFFFAOYSA-N 319.361 -0.023 30 20 DBED C=CC1(CC(=O)NCC2(O)CN(C(=O)C(N)=O)C2)CCCCC1 1043840509 OVRWSVJSZRPNBJ-UHFFFAOYSA-N 323.393 -0.312 30 20 DBED C=CCC(C)(C)C(=O)N1CC(O)(CNC(=O)[C@H]2CCNC2=O)C1 1044452300 PIYJJFWRZCZQCM-NSHDSACASA-N 323.393 -0.586 30 20 DBED C=C(C)C[C@@H](C)C(=O)N1CC(O)(CNC(=O)C2(C(N)=O)CC2)C1 1045493631 IPYIWXQSIKRJII-LLVKDONJSA-N 323.393 -0.456 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)[C@@H](C)n2cccn2)C1 1045540978 NXDANYBGFWVWDI-GHMZBOCLSA-N 305.338 -0.707 30 20 DBED Cc1nscc1C(=O)N1CC(O)(CNC(=O)[C@@H](C)C#N)C1 1045541508 WRLAJZQEQSOWKI-QMMMGPOBSA-N 308.363 -0.086 30 20 DBED C#CCCN1[C@H]2CC[C@H]1CN(C(=O)CN1CC(=O)NC1=O)CC2 1045864489 CCNOANRPJKXQBK-STQMWFEESA-N 318.377 -0.373 30 20 DBED N#Cc1cncc(N[C@H]2C[C@@H](CNC(=O)[C@@H]3CCC(=O)N3)C2)n1 1046423200 WZCOQEUILASZFG-UMNHJUIQSA-N 314.349 -0.066 30 20 DBED CN1C[C@@H](C(=O)NC[C@@H]2C[C@@H]3CC[C@H](C2)N3CC#N)NC1=O 1048552785 YUTKGTQFYBBTKN-RNJOBUHISA-N 305.382 -0.107 30 20 DBED CCOCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C#N)c[nH]2)C1 1048637519 UPIASEJRGRGCAX-STQMWFEESA-N 320.349 -0.433 30 20 DBED COCCOCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C#CC2CC2)C1 1048820988 BJJBQMLZMBYGKD-KBPBESRZSA-N 324.377 -0.907 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2CN(CC(=O)NC)C[C@@H]2C1 1048868660 HXOHIYUEQYXICD-ZNMIVQPWSA-N 318.421 -0.780 30 20 DBED COC[C@@H](OC)C(=O)N(C)[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 1049494802 OQWXOYGVRFVTFV-MELADBBJSA-N 324.377 -0.909 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)[C@H]1CCN(C(=O)COCC)C1 1049927657 APYPUOUXHXHWGS-OLZOCXBDSA-N 323.393 -0.484 30 20 DBED C[C@H](NC(=O)C(N)=O)[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 1050485040 VRUXZETZQCUORX-DTWKUNHWSA-N 303.322 -0.662 30 20 DBED C=CCOCC(=O)N[C@@H](C)[C@@H]1CCN(C(=O)Cn2ncnn2)C1 1050808190 KBVXWMZUYNZREB-NWDGAFQWSA-N 322.369 -0.771 30 20 DBED CC#CCN1CCOC[C@H]1CNC(=O)c1ccc2nn[nH]c2n1 1050947366 VBJPQZSQGHLEEE-LLVKDONJSA-N 314.349 -0.193 30 20 DBED N#CCN1CCOC[C@H]1CNC(=O)c1c[nH]nc1[C@H]1CCOC1 1051046835 VKEVREMRJWDQDW-NWDGAFQWSA-N 319.365 -0.132 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)[C@H]1CCc2nnc(C)n2C1 1051256731 AAUYBLLNHJPWNJ-KBPBESRZSA-N 317.393 -0.401 30 20 DBED C#CCN1CCN([C@H]2CCN(C(=O)Cn3nccn3)C2)CC1 1052033776 UXYXLWXVXNRJGT-AWEZNQCLSA-N 302.382 -0.870 30 20 DBED C#CCOCCC(=O)NC[C@H]1CN(C(=O)CC(=O)NC)C[C@@H]1C 1052450790 LBQQGROQDZASCE-STQMWFEESA-N 323.393 -0.627 30 20 DBED N#CCN1CC2(C1)CN(C(=O)c1cc(C(N)=O)co1)CCO2 1053423283 DBNYNLIQFZHDGB-UHFFFAOYSA-N 304.306 -0.571 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)[C@@H](C)[C@H]1CCC(=O)N1)CCO2 1053443358 VRGHSVSCEYWLNW-UONOGXRCSA-N 319.405 -0.162 30 20 DBED COc1c(C(=O)N2CCOC3(CN(CC#N)C3)C2)cnn1C 1053519890 BNJZVJIBIIZWQQ-UHFFFAOYSA-N 305.338 -0.521 30 20 DBED C#CCN1CC2(CC[C@H](CNC(=O)[C@@H]3COCCN3C)O2)C1 1053592732 QNZXPOAAXMOGSZ-KGLIPLIRSA-N 307.394 -0.700 30 20 DBED C#CCN1CC2(CC[C@H](CNC(=O)[C@H]3C[C@@H](C)CC(=O)N3)O2)C1 1053602322 GLJQYWOIMZXCPO-MGPQQGTHSA-N 319.405 -0.116 30 20 DBED C=CCN1CC2(C[C@H](NC(=O)CN3C(=O)CCC3=O)CO2)C1 1054003028 NWZMOLZPAHOIGO-NSHDSACASA-N 307.350 -0.719 30 20 DBED C=CCN[C@H]1CN(C(=O)c2nc(C)n(-c3nc[nH]n3)n2)C[C@@H]1C 1054955882 ZVZISZCQGNPHPA-ONGXEEELSA-N 316.369 -0.070 30 20 DBED C#CCOCCC(=O)N1CCC[C@@](CO)(NC(=O)C(F)F)C1 1055682767 NNUHQFYHQRHWHO-CQSZACIVSA-N 318.320 -0.239 30 20 DBED C#CCNC(=O)CC(=O)N[C@]1(CO)CCCN(C(=O)CC)C1 1055895143 OLYZLVLKTZGNCJ-OAHLLOKOSA-N 309.366 -0.994 30 20 DBED C=C1CCC(C(=O)N2CCC[C@](CO)(NC(=O)C(N)=O)C2)CC1 1056088411 SWMRIASZBOOYAE-INIZCTEOSA-N 323.393 -0.312 30 20 DBED N#Cc1nccnc1N1C[C@H]2[C@H](NC(=O)C3=COCCO3)[C@H]2C1 1056100285 MZJBDLWHLJYGEU-IWIIMEHWSA-N 313.317 -0.213 30 20 DBED N#Cc1cncc(N[C@@H]2CCN(C(=O)C3(C(N)=O)CC3)C2)n1 1056759862 YQTBVIPQUPFNRM-SECBINFHSA-N 300.322 -0.373 30 20 DBED CN(c1cnc(C#N)cn1)[C@@H]1CCN(C(=O)c2cn(C)nn2)C1 1056916991 LSJMCGAGYSNHOH-LLVKDONJSA-N 312.337 -0.172 30 20 DBED N#CCSCC(=O)N(CCO)CCNC(=O)[C@H]1CC12CC2 1057030081 JZHGWBBPWDKXOX-LLVKDONJSA-N 311.407 -0.020 30 20 DBED CN(c1ccc(C#N)nn1)[C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 1057032926 COEKMTUXRNDEBV-UTUOFQBUSA-N 314.349 -0.493 30 20 DBED CCc1nc(C#N)cc(N2CCCN(C(=O)CC(N)=O)CC2)n1 1057110765 CNKHLAUTIGJSIA-UHFFFAOYSA-N 316.365 -0.175 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)CCOC(C)C 1057193968 VPLLOHGWEAGIQA-UHFFFAOYSA-N 316.398 -0.059 30 20 DBED N#Cc1c[nH]c(C(=O)N(CCO)CCNC(=O)c2cocn2)c1 1057291752 PJQKZILDGIWSHU-UHFFFAOYSA-N 317.305 -0.261 30 20 DBED N#Cc1cncc(N[C@@H]2CCCN(C(=O)[C@H]3CCNC3=O)C2)n1 1057724573 IJTFHHDVOSFXDC-PWSUYJOCSA-N 314.349 -0.113 30 20 DBED C=C(C)CCC(=O)N(CCO)CCNC(=O)C(C)(C)C(N)=O 1057806786 RBNHTFATICLDJV-UHFFFAOYSA-N 313.398 -0.209 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@H](C)C#N 1057961404 WKXDQBMDNFNABI-KGLIPLIRSA-N 320.393 -0.819 30 20 DBED C=C[C@H](CC)CC(=O)NCCN(CCO)C(=O)c1cnn(C)n1 1058095769 VEJPLXFRYOPNCI-GFCCVEGCSA-N 323.397 -0.032 30 20 DBED C=C(C)CCC(=O)NCCN(CCO)C(=O)[C@H]1CCNC1=O 1058298434 CNOJIBCKMVAAKF-LBPRGKRZSA-N 311.382 -0.584 30 20 DBED C=CC(C)(C)C(=O)N(CCO)CCNC(=O)CNC(=O)NC 1058305971 OZKYXYNVZUZMKS-UHFFFAOYSA-N 314.386 -0.935 30 20 DBED C=C[C@H](C)[C@H](C)C(=O)N(CCO)CCNC(=O)c1cnnn1C 1058435401 JTGZBRUOPLJWSC-RYUDHWBXSA-N 323.397 -0.176 30 20 DBED N#Cc1cnc(N[C@H]2CCN(C(=O)[C@H]3CNC(=O)N3)C2)c(F)c1 1059049555 VBYPHFMPGMMURE-GXSJLCMTSA-N 318.312 -0.213 30 20 DBED C[C@@H](C(=O)N[C@H]1C[C@@H](N=c2cc[nH]c(C#N)n2)C1)n1cncn1 1059597290 VXBSGJOFJCDLEC-GARJFASQSA-N 312.337 -0.318 30 20 DBED N#Cc1ccc(N2CCC[C@@H]2CNC(=O)[C@H]2COC(=O)N2)nn1 1061353232 FJVUWZOFMBNQLC-GHMZBOCLSA-N 316.321 -0.458 30 20 DBED Cn1ncc(C(=O)NC[C@H]2CCCN2c2ccnc(C#N)n2)n1 1061376126 MJRWRUAIOWGIJI-SNVBAGLBSA-N 312.337 -0.124 30 20 DBED C=CCCC(=O)N1CCOC[C@H]1CNC(=O)[C@H](C)NC(N)=O 1061523982 ADPWQLPSGLSRQX-WDEREUQCSA-N 312.370 -0.647 30 20 DBED CCCC(=O)NCC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H](C)C#N 1061846650 PNCPGWFWGLQTHB-RYUDHWBXSA-N 324.381 -0.594 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1(CNC(=O)CC(N)=O)CCC1 1062734697 BGEFENFNJMZYGX-MNOVXSKESA-N 309.366 -0.392 30 20 DBED N#Cc1cnc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)Cn2nccn2)cn1 1064300565 BLTPARQQBYYATQ-PUYPPJJSSA-N 310.321 -0.667 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)CNC(=O)C2CC2)CCC1 1064302864 UTYHEWBGZQVBHF-JTQLQIEISA-N 306.366 -0.173 30 20 DBED N#Cc1nc(=NC[C@H]2CN(C(=O)C#CC3CC3)CCO2)cc[nH]1 1066626745 DXVFECSLVDODMS-ZDUSSCGKSA-N 311.345 -0.177 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CCC2(CN(C(=O)C(N)=O)C2)O1 1068571274 KWCCNGYBSJKGMI-LLVKDONJSA-N 307.350 -0.993 30 20 DBED C=C(C)CCC(=O)N[C@H]1COC2(C1)CN(C(=O)CNC(C)=O)C2 1068890093 MYFKLCBZOBCBGF-CYBMUJFWSA-N 323.393 -0.035 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 1069911270 GRBRWDJJQKDHTP-KGLIPLIRSA-N 309.333 -0.234 30 20 DBED CC(=O)NCC(=O)NC1(CNC(=O)C#CC(C)C)CCOCC1 1069954226 SYKBOBMFYXQHFM-UHFFFAOYSA-N 323.393 -0.437 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2c[nH]nc2CC)C1 1069967047 KFTHWJQIZUSNGL-KGLIPLIRSA-N 313.365 -0.148 30 20 DBED Cn1cnc([C@@H]2CN(C(=O)Cc3cnc[nH]3)C[C@H]2NCC#N)c1 1070540648 BPEMEKGRJLSNAP-GXTWGEPZSA-N 313.365 -0.207 30 20 DBED CNC(=O)CC(=O)N1CCC[C@@H](NC(=O)CSCC#N)C1 1070650523 GGHDSMFFBQYSJV-SNVBAGLBSA-N 312.395 -0.514 30 20 DBED C#CCOCCC(=O)N1CCC[C@@H](NC(=O)[C@H]2COCCO2)C1 1070729459 MDLOHYCGQYDJMK-ZIAGYGMSSA-N 324.377 -0.451 30 20 DBED C#CCN1CC[C@@]2(C1)CN(C(=O)Cn1cncn1)C[C@H](C)O2 1071238716 PSARJJOETADDIB-DZGCQCFKSA-N 303.366 -0.397 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H](N2CCN(CC#N)CC2=O)C1 1071258811 RGECMMUOSOOYQK-CHWSQXEVSA-N 303.366 -0.195 30 20 DBED C[C@H]1CN(C(=O)CSCC#N)C[C@@H]1NC(=O)c1cnn[nH]1 1071659506 XJDPGTNXMGAWNS-WPRPVWTQSA-N 308.367 -0.362 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H](C)[C@H](NC(=O)c2cn[nH]c2)C1 1071932775 NJEUPCGMDZBICV-CMPLNLGQSA-N 317.349 -0.874 30 20 DBED C#CCOCCC(=O)N1CC[C@H](NC(=O)C(N)=O)C(C)(C)C1 1073479221 JFNQXGFWRKAVNM-NSHDSACASA-N 309.366 -0.745 30 20 DBED C=CCCC(=O)N1CCN(C2CN(C(=O)CC(N)=O)C2)CC1 1073549196 JECIKJIDPCSSFD-UHFFFAOYSA-N 308.382 -0.817 30 20 DBED CC#CCN1CCCO[C@@H](CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 1073769955 XAJOBJFHNIZFLG-MELADBBJSA-N 323.393 -0.750 30 20 DBED C=CCOCC(=O)N1CC[C@@H](NC(=O)Cn2ncnn2)[C@H](C)C1 1073976733 FVRLLZQDECOGTC-VXGBXAGGSA-N 322.369 -0.771 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)CN3C(=O)CCC3=O)C[C@H]21 1074403231 SJUZSAWBKSLAFU-CHWSQXEVSA-N 319.361 -0.930 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](NC(=O)C(F)F)C[C@H]1C 1074749066 HZRMTKIFDVFXHT-NXEZZACHSA-N 315.320 -0.113 30 20 DBED C#CCOCCC(=O)N1CC[C@H](NC(=O)CC(N)=O)C[C@H]1C 1074912655 WIZPRRGIJUXRAZ-NEPJUHHUSA-N 309.366 -0.603 30 20 DBED C=CCOCCCC(=O)N1CC[C@H](NC(=O)C(N)=O)C[C@@H]1C 1075143565 BGXFZLYECOHPTI-RYUDHWBXSA-N 311.382 -0.050 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)c1csnn1 1076219823 CURITEIDMLBYKM-VIFPVBQESA-N 323.378 -0.698 30 20 DBED CC(C)S(=O)(=O)CC(=O)NCC[C@H](C)NC(=O)[C@@H](C)C#N 1076625507 MMRDHMZTFXMLNM-QWRGUYRKSA-N 317.411 -0.020 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2nn3c(c2C)OCCC3)C1 1077097853 GONYZQKSTJPMOS-VXGBXAGGSA-N 304.350 -0.618 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(Cc2cnns2)C[C@H]1O 1077699090 PVXHGRUEKCCRDQ-LPWJVIDDSA-N 324.406 -0.210 30 20 DBED C#CCN[C@@H]1C[C@@H](NC(=O)c2cn(C)c(=O)n2C)C12CCC2 1078823025 IPQZZKAYHRZBMY-CHWSQXEVSA-N 302.378 -0.012 30 20 DBED C=CCCN1C[C@@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)[C@H](C)C1 1080549739 NMJCEYFKAJWDDB-GHMZBOCLSA-N 322.365 -0.580 30 20 DBED C#CCOCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2CCC2)C1 1081133023 HPEURWCHQUOCRA-UONOGXRCSA-N 308.378 -0.238 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@H](CNC(=O)CNC(C)=O)C1 1081202867 VQZUCETXXNSEEY-NEPJUHHUSA-N 311.382 -0.730 30 20 DBED C=CCCOCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2ccon2)C1 1081303648 YVFQBUWWBFNOPT-WCQYABFASA-N 323.349 -0.184 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2cnnn2C)C1 1081443827 DFDSHECPAWHUMZ-DGCLKSJQSA-N 319.365 -0.976 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)c2cnsn2)C[C@H]1O 1081462791 FNBMIPDEFXOJDL-CMPLNLGQSA-N 322.390 -0.253 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(C(=O)Cn2ccnc2)C[C@@H]1O 1081473558 HZMGELXMASPXKP-KBPBESRZSA-N 316.361 -0.768 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)[C@H]2CCC(=O)N2C)C1 1083720719 PJHGPZCBQXQVLV-MXWKQRLJSA-N 301.774 -0.479 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCN(C(=O)CC)C2)C1 1083926696 JEELZAASYBPFBU-MJBXVCDLSA-N 307.394 -0.571 30 20 DBED CS(=O)(=O)CC(=O)N1C[C@@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(CC#N)C1 1087338451 IWWPKFXFITXXAE-RVMXOQNASA-N 311.407 -0.277 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)CC[C@H]3NC(=O)NC3=O)C[C@@H]2C1 1088194724 SUUYQDVQMHSOPO-FRRDWIJNSA-N 318.377 -0.612 30 20 DBED C[C@@H]1[C@@H](NC(=O)Cn2nc3ccccn3c2=O)CCN1CC#N 1088782139 BEBAWRXHEYFFJJ-NEPJUHHUSA-N 314.349 -0.401 30 20 DBED C#CCCN1CC[C@H](NC(=O)CN2C(=O)CN(C)C2=O)[C@H]1C 1089026707 ZMZPSNNGTPQKMF-NEPJUHHUSA-N 306.366 -0.517 30 20 DBED CC(=O)CCCC(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1O 1090365408 PHQLQUZQPLRKEE-CHWSQXEVSA-N 317.349 -0.227 30 20 DBED COC[C@@H](C)C(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@H]1O 1090387044 FVZPOJDWXZZBSU-RAIGVLPGSA-N 304.350 -0.099 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CCN(CC(=O)NC)C[C@@H]2O)cc1 1090481308 AGLXFVQGBQQDAI-CABCVRRESA-N 315.373 -0.421 30 20 DBED C[C@H](CC(N)=O)C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1C 1090804427 RNPGDMPRNXDONY-CKYFFXLPSA-N 316.365 -0.199 30 20 DBED C=C(Cl)CNC1CC(CNC(=O)[C@@H]2CCS(=O)(=O)N2)C1 1091369730 AYZGCSZEOPCVEL-ILDUYXDCSA-N 321.830 -0.085 30 20 DBED N#Cc1c(F)cccc1N1CC[C@H](NC(=O)CC(N)=O)[C@@H](O)C1 1092135470 YKMDVMMSQGJAHX-AAEUAGOBSA-N 320.324 -0.371 30 20 DBED CNC(=O)CCCC(=O)N1CCN(c2ccc(C#N)nn2)CC1 1093148295 CPCDXXCRZUULHF-UHFFFAOYSA-N 316.365 -0.087 30 20 DBED C#CCN1CC(OC2CCN(C(=O)Cn3nccn3)CC2)C1 1093541199 XMMOQKAPZNUCDK-UHFFFAOYSA-N 303.366 -0.397 30 20 DBED Cn1cc(OCC(=O)NCCN=c2cc[nH]c(C#N)n2)cn1 1094069492 UUYMLZGFLXCSEI-UHFFFAOYSA-N 301.310 -0.889 30 20 DBED N#Cc1nc(=NCCNC(=O)c2cnn3c2OCCC3)cc[nH]1 1094250062 SFCYOFDINKYWJD-UHFFFAOYSA-N 313.321 -0.409 30 20 DBED N#CCN1CC(N2C[C@H](NC(=O)C3[C@@H]4CCC[C@@H]34)CC2=O)C1 1094720706 PHVYQIZTPNIXSH-RAIGVLPGSA-N 302.378 -0.043 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)Cc3nnc(C)o3)CC2=O)C1 1094735995 YXSRLVKAODNBCR-NSHDSACASA-N 319.365 -0.492 30 20 DBED N#CCN1CC(N2C[C@H](NC(=O)c3ccns3)CC2=O)C1 1094744284 QSUTYKQQXGDIOW-SECBINFHSA-N 305.363 -0.318 30 20 DBED C#CCN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1ccc(O)nc1=O)C2 1094957683 DFYZXPTYBONAHT-AVGNSLFASA-N 316.361 -0.449 30 20 DBED COC(=O)NCC(=O)N[C@H]1CCN(c2ccc(C#N)nn2)C1 1096325470 RXNFENRRMMORPN-JTQLQIEISA-N 304.310 -0.601 30 20 DBED CNC(=O)CC(=O)NC[C@@H]1CCCCN1c1ccc(C#N)nn1 1097421392 KOZBIPJWODGZPD-LBPRGKRZSA-N 316.365 -0.041 30 20 DBED C[C@@H](NC(=O)CC(N)=O)[C@H]1CCCN(c2cncc(C#N)n2)C1 1097516745 UYYWSNAPIJPNAV-MNOVXSKESA-N 316.365 -0.055 30 20 DBED C[C@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)Nc1ccc(C#N)nn1 1098264077 DSQAMOMKVAOYOV-DVVUODLYSA-N 318.337 -0.702 30 20 DBED CN(c1ccnc(C#N)n1)[C@H]1CCCN(C(=O)CNC(N)=O)C1 1098681768 WTOHNTHQCDRLID-JTQLQIEISA-N 317.353 -0.556 30 20 DBED N#CCNC(=O)CN1CC[C@H](NC(=O)CCC2CCC2)[C@H](O)C1 1099776414 RRPYAKNORNNPRM-UONOGXRCSA-N 322.409 -0.242 30 20 DBED C#CCN1CC[C@H](NC(=O)COCc2nccn2C)[C@@H](O)C1 1099887737 JZUNBWHIXXFFCE-STQMWFEESA-N 306.366 -0.879 30 20 DBED C=C(C)CCN1CC[C@@H](NC(=O)C(=O)NCC(F)F)[C@H](O)C1 1099901738 NTBGEBDXAGJRQK-GHMZBOCLSA-N 319.352 -0.115 30 20 DBED CC#CCCCC(=O)N[C@H]1CCN(Cc2nnnn2C)C[C@@H]1O 1099960170 PCQVOCOLFHKTOS-STQMWFEESA-N 320.397 -0.545 30 20 DBED Cc1nc(N(C)CCNC(=O)[C@H]2COC(=O)N2)ccc1C#N 1100049440 FXNWSOJAVRBPDL-LLVKDONJSA-N 303.322 -0.078 30 20 DBED C#CCCN1CC[C@H](NC(=O)CCCC(=O)NCC)[C@@H](O)C1 1100078640 MGVAORGKJBYTEG-KBPBESRZSA-N 309.410 -0.133 30 20 DBED CC#CCN1CC[C@@H](NC(=O)C(C)(C)NC(=O)NC)[C@H](O)C1 1100126581 JGKXWLNXBHAJTA-VXGBXAGGSA-N 310.398 -0.731 30 20 DBED C=CCN1CC[C@@H](NC(=O)C(C)(C)CS(C)(=O)=O)[C@H](O)C1 1100137374 YNOHLDXQKXPZGG-VXGBXAGGSA-N 318.439 -0.205 30 20 DBED CN1CC[C@H](CC(=O)NCCN(C)c2ccc(C#N)nn2)C1=O 1100194696 JAKKPUFYDVGQHW-LLVKDONJSA-N 316.365 -0.231 30 20 DBED COCC(=O)N[C@@H](C)C(=O)NCCN(C)c1cnc(C#N)cn1 1100378179 GUCAEYXJOCSKKD-JTQLQIEISA-N 320.353 -0.948 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCC1CC(NCCOCCO)C1 1100415282 IUEAJJIUISLYNE-GPANFISMSA-N 323.437 -0.423 30 20 DBED CCN(CCNC(=O)c1nnn(C)n1)c1ccc(C#N)nn1 1100679349 SCCRGJXEIKCRNT-UHFFFAOYSA-N 301.314 -0.872 30 20 DBED CN(CCNc1ncc(C#N)cc1F)C(=O)Cn1cnnn1 1101495702 WKWDWNGHOODPGT-UHFFFAOYSA-N 304.289 -0.351 30 20 DBED Cc1cc(=NCCN(C)C(=O)[C@H]2CCC(=O)N2)c(C#N)c[nH]1 1101547345 VWBRDGFKDXGIMB-GFCCVEGCSA-N 301.350 -0.168 30 20 DBED CN(CCNc1ccc(C#N)cn1)C(=O)[C@H]1CCS(=O)(=O)N1 1101626534 NGGBDKLSCGKNCW-LLVKDONJSA-N 323.378 -0.485 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](C)[C@H](CNC(=O)c2cc[nH]n2)C1 1101746885 KKLUEGLONJMAMK-JHJVBQTASA-N 317.393 -0.155 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)CO[C@@H]1CCOC1 1101786449 WTGWVLBBMRAFOD-LLVKDONJSA-N 305.338 -0.554 30 20 DBED COC[C@H](C)C(=O)NC[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1101812924 QDXZACCWSRCBJL-FRRDWIJNSA-N 310.398 -0.407 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)Cc2cc[nH]n2)C1 1101848122 KHVYFNDDVCMKJL-CHWSQXEVSA-N 317.393 -0.614 30 20 DBED C[C@@H](CC(N)=O)C(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(C#N)n1 1102570081 NZPAQLLPIWILCE-DLOVCJGASA-N 314.349 -0.351 30 20 DBED Cn1oc(C(=O)NC[C@H](O)CNc2ncccc2C#N)cc1=O 1105797366 XPVCYVLSMHKWKF-SNVBAGLBSA-N 317.305 -0.552 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)[C@]2(F)CCOC2)cn1 1106073677 XHGWRKUPFHLKGY-OCCSQVGLSA-N 308.313 -0.029 30 20 DBED N#Cc1nc(=NC[C@@H](O)CNC(=O)CCc2cn[nH]c2)cc[nH]1 1106131561 DROBYRLOZCQJHB-LLVKDONJSA-N 315.337 -0.985 30 20 DBED CCS(=O)(=O)N[C@H](C)C(=O)N1C[C@@H](C)[C@H](CNCC#N)C1 1106158721 ABYVCDGWSFIDGU-IJLUTSLNSA-N 316.427 -0.478 30 20 DBED C[C@H](CCNc1ccc(C#N)nn1)NC(=O)c1nnn(C)n1 1106524025 XPKGTZDYYOTVBU-MRVPVSSYSA-N 301.314 -0.508 30 20 DBED C=CCO[C@H](C)C(=O)NCc1cn(C2CN(CCOC)C2)nn1 1107241250 PLZDRASWFSTNPF-GFCCVEGCSA-N 323.397 -0.012 30 20 DBED CNC(=O)[C@@H](C)N1CCO[C@](C)(CNC(=O)C#CC2CC2)C1 1107932315 JXCYMLSFMYWMJZ-MLGOLLRUSA-N 307.394 -0.259 30 20 DBED CCc1nc(C#N)cc(NC[C@@H](C)NC(=O)[C@@H]2CCNC2=O)n1 1108039895 MBBCPGNCDGQFQU-MWLCHTKSSA-N 316.365 -0.037 30 20 DBED C=CCN1CCO[C@@](C)(CNC(=O)CN2CCCNC2=O)C1 1108049072 HJCWAOAEYPZMKC-HNNXBMFYSA-N 310.398 -0.205 30 20 DBED CC#CCN1CCO[C@](C)(CNC(=O)[C@@H]2CCN(C)C2=O)C1 1108145558 MBHNQZMXRSKSOD-XJKSGUPXSA-N 307.394 -0.305 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)COCc2ncnn2C)C1 1108315553 XRAKVEHWRQJYBS-OAHLLOKOSA-N 321.381 -0.828 30 20 DBED C=CCCC(=O)N1CCN(CCCO)[C@H]2CS(=O)(=O)C[C@H]21 1108462557 ZZINOXRMHJKNQA-QWHCGFSZSA-N 316.423 -0.355 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)CCOCC3CC3)CC2=O)C1 1108545708 CUTZTILPLYRUHM-CQSZACIVSA-N 319.405 -0.162 30 20 DBED CC#CCCCC(=O)N[C@H]1CC(=O)N(C2CN(CCCO)C2)C1 1108563148 JDPGIVRCUXFNPL-AWEZNQCLSA-N 321.421 -0.036 30 20 DBED CCN1C[C@@H](C(=O)N[C@@H](C)CN=c2cc[nH]c(C#N)n2)CC1=O 1108748057 MCYMIANOUNCEAV-QWRGUYRKSA-N 316.365 -0.445 30 20 DBED C[C@@H](CN(C)c1cnc(C#N)cn1)NC(=O)[C@H]1CCC(=O)N1 1108864052 XFBIVSNGVMZHGX-GXSJLCMTSA-N 302.338 -0.432 30 20 DBED CN1CCO[C@H](C(=O)N(C)CCCNc2cncc(C#N)n2)C1 1109419361 VOBHXSXSVWBMKJ-ZDUSSCGKSA-N 318.381 -0.061 30 20 DBED CC(C)(C(N)=O)C(=O)N[C@H]1[C@H]2C[C@H]1N(c1nccnc1C#N)C2 1109728552 TXSRIDWEDZOSBQ-GDPRMGEGSA-N 314.349 -0.447 30 20 DBED N#Cc1ccc(NC[C@H](NC(=O)CNC(N)=O)C2CC2)nc1 1109753780 JGPBQJSYKZOOSX-NSHDSACASA-N 302.338 -0.072 30 20 DBED CN1CC[C@@H](C(=O)NCC2(Nc3ccc(C#N)nn3)CC2)C1=O 1110306982 ITOWEPICWOQMHG-NSHDSACASA-N 314.349 -0.113 30 20 DBED CNC(=O)NCC(=O)NCC1(Nc2ccc(C#N)cn2)CC1 1110380930 MKMMMBJGBPHODF-UHFFFAOYSA-N 302.338 -0.057 30 20 DBED CNC(=O)CC(=O)N[C@@]1(C)CCN(c2cncc(C#N)n2)C1 1110745488 LHJBKNWPCINJOY-AWEZNQCLSA-N 302.338 -0.431 30 20 DBED Cc1cc(C#N)nc(N2CCC[C@](C)(CNC(=O)C(N)=O)C2)n1 1110953371 DPGHRHWBYNWYRG-OAHLLOKOSA-N 316.365 -0.135 30 20 DBED C[C@H]1CN(C(=O)CNC(N)=O)C[C@H]1CNc1ccc(C#N)nn1 1111240833 JGCKSBLUVBDDQK-VHSXEESVSA-N 317.353 -0.477 30 20 DBED C[C@H](NC(=O)Cn1nccn1)[C@@H](C)Nc1cnc(C#N)cn1 1113173051 IPXRTXGAGGWOGG-ZJUUUORDSA-N 300.326 -0.055 30 20 DBED C[C@H](NC(=O)Cn1ncnn1)[C@H](C)Nc1nccnc1C#N 1113193090 DRNDAWPMGZDWRU-IUCAKERBSA-N 301.314 -0.660 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)C23CCN(CC2)C3)CC1 1113543794 FGTWLTHRIUXNBF-CQSZACIVSA-N 320.437 -0.083 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCCC(=O)N1)N(C)c1cncc(C#N)n1 1113748809 GYKPXBMOOZTFOS-CMPLNLGQSA-N 316.365 -0.042 30 20 DBED N#Cc1ccccc1CN1C[C@H]2[C@H](NC(=O)CNC(N)=O)[C@H]2C1 1113848534 CPHRJBNTUKFWNW-NHAGDIPZSA-N 313.361 -0.227 30 20 DBED CC(C)SCC(=O)NC1[C@H]2CN(CC(=O)NCC#N)C[C@H]12 1113892741 CALMVBIDGPXLDY-QWRGUYRKSA-N 310.423 -0.186 30 20 DBED C=CCCC(=O)NC1[C@@H]2CN(CC(=O)NC(=O)NC3CC3)C[C@@H]12 1114003909 FDHRJMBVMALEAP-VXGBXAGGSA-N 320.393 -0.013 30 20 DBED C=CCOCC(=O)NC1[C@@H]2CN([C@H](C)c3nnnn3C)C[C@@H]12 1114047791 MZCXCECUHJDWRI-GMTAPVOTSA-N 306.370 -0.480 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)Cc3cc[nH]n3)[C@H]2C1 1114089029 ZAGSAHSFTKALFA-PBOSXPJTSA-N 317.393 -0.311 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H]2CC[C@H]1CN2c1ncccn1 1114388381 UIBYRHRBRSHCLU-QWHCGFSZSA-N 313.361 -0.204 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)[C@H]3CCCCN3C)[C@@H]2C1 1114466722 RVNSZROCLMOBNM-MGPQQGTHSA-N 318.421 -0.734 30 20 DBED C=CCOCCN1C[C@H]2C(NC(=O)CCS(C)(=O)=O)[C@@H]2C1 1114478500 WZTQZYSLPVAMOP-VXGBXAGGSA-N 316.423 -0.330 30 20 DBED C=CCCCN1C[C@H]2C(NC(=O)CN3CCN(C)C(=O)C3)[C@@H]2C1 1114496593 PFWFUAKHJOTGSJ-ZIAGYGMSSA-N 320.437 -0.227 30 20 DBED C#CCCN1C[C@@H]2C(NC(=O)CNC(=O)C3CCOCC3)[C@H]2C1 1114988321 CUURMIKHGKVYNY-KBPBESRZSA-N 319.405 -0.401 30 20 DBED CS(=O)(=O)CCOCCNS(=O)(=O)CC1(C#N)CC1 1116628142 GOCXKIIVQORVKD-UHFFFAOYSA-N 310.397 -0.729 30 20 DBED CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)CCO1 1118185259 XMTXOOBYTLQSEI-DOMZBBRYSA-N 309.366 -0.109 30 20 DBED CCN(CC)S(=O)(=O)N1CCN(C(=O)C#CCOC)CC1 1119107422 RTHZFVHMZJOSPV-UHFFFAOYSA-N 317.411 -0.633 30 20 DBED C[C@@H](CN(C)C(=O)[C@@H]1CCCNC1=O)N=c1cc[nH]c(C#N)n1 1120199340 HETMYEYFTWWZFD-WDEREUQCSA-N 316.365 -0.445 30 20 DBED N#Cc1nc(=N[C@H](CO)CNC(=O)c2nccs2)cc[nH]1 1121949939 WTMAXXCEXOIQHC-QMMMGPOBSA-N 304.335 -0.571 30 20 DBED N#Cc1cnc(N[C@H](CO)CNC(=O)Cc2ncc[nH]2)cn1 1121976743 HCHXODYXMLFUQT-JTQLQIEISA-N 301.310 -0.797 30 20 DBED COc1nc(C(=O)NC[C@@H](CO)N=c2cc[nH]cc2C#N)co1 1122286777 VXTMBVNMTJZKEQ-JTQLQIEISA-N 317.305 -0.425 30 20 DBED N#Cc1nccc(N2CC[C@@]3(NC(=O)CC(N)=O)CCC[C@@H]23)n1 1123394466 PGELAOLZRCDEQA-BMIGLBTASA-N 314.349 -0.159 30 20 DBED CC(C)OCC(=O)N(C)C[C@H](O)CN=c1cc[nH]c(C#N)n1 1124135925 VAFGNGINJXBDFU-LLVKDONJSA-N 307.354 -0.574 30 20 DBED CN(C[C@@H](O)CN(C)c1ccc(C#N)nc1)C(=O)c1cnn[nH]1 1125373459 DDEGVVHEZCHYTF-LBPRGKRZSA-N 315.337 -0.359 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NCCNCCN1C(=O)CNC1=O 1127609200 PIVXBJGWXZJGOW-NEPJUHHUSA-N 324.381 -0.775 30 20 DBED CC#CCN1CC[C@H](c2n[nH]cc2CNC(=O)CC(=O)NC)C1 1130381327 VXTUECCHIXZIGV-LBPRGKRZSA-N 317.393 -0.025 30 20 DBED COCC#CCN1C[C@H]2C[C@@H]3CN(C(=O)[C@H](C)OC)C[C@@]3(C1)O2 1131186711 CYZZRQDSLGNMIN-KLZNWCGWSA-N 322.405 -0.027 30 20 DBED C#CCOCCC(=O)N1C[C@H]2C[C@@H]3CN(CCO)C[C@]2(C1)O3 1131230692 MZYKYVUTMFSGKP-IIAWOOMASA-N 308.378 -0.680 30 20 DBED CC#CCNC[C@H]1CN(C(=O)CS(=O)(=O)NC)CC[C@H]1C 1133337453 NSCYFHQRUZWAJO-OLZOCXBDSA-N 315.439 -0.367 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)Cn1cc(Cl)cn1 1134487041 GVUBRBBAHUWSJK-SNVBAGLBSA-N 313.789 -0.067 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@@]1(C)CCN(C(C)=O)C1 1146993754 FNBWOIXEOIXISB-WBMJQRKESA-N 322.409 -0.911 30 20 DBED COCCCNC(=O)CN1CCC2(C1)CN(C(=O)[C@H](C)C#N)C2 1147225500 LGGTZSIOBBIIOJ-CYBMUJFWSA-N 322.409 -0.167 30 20 DBED C#Cc1ccc(C(=O)NCCNCC(=O)NCC2CC2)cn1 1148382691 AQLDXRVHVWHUSM-UHFFFAOYSA-N 300.362 -0.092 30 20 DBED N#CCN1CCCO[C@@H](CNC(=O)CCN2CCCC2=O)C1 1150736917 BCYZAMIYPXSMTL-ZDUSSCGKSA-N 308.382 -0.270 30 20 DBED C=CCO[C@@H](C)C(=O)NCCNCc1cc(=O)n2nccc2[nH]1 1153134126 ABCVBLKIUXWHHS-NSHDSACASA-N 319.365 -0.181 30 20 DBED CCN(CCC#N)C(=O)CNCCCNC(=O)c1cnccn1 1154264641 KIEHSAYNOXQVPY-UHFFFAOYSA-N 318.381 -0.052 30 20 DBED C=CCOCC(=O)NCCC1=CCN(CC(=O)NC(N)=O)CC1 1159575978 IFXKVZONNWPVJY-UHFFFAOYSA-N 324.381 -0.478 30 20 DBED C#CCNC(=O)CNCCCNC(=O)Cc1cccnc1C 1166585387 FTCNNLHLQYXIDC-UHFFFAOYSA-N 302.378 -0.222 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)[C@@H](CC)NC(C)=O 1167185351 KHOHDABFIAULEP-WCQYABFASA-N 312.414 -0.312 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)[C@H](O)C(C)C)[C@H]1C 1178615587 NMZYJJIELNDDPE-XDQVBPFNSA-N 309.410 -0.280 30 20 DBED C=C(C)CN(CC)C(=O)[C@@H](C)N[C@H]1CCN(C(=O)C(N)=O)[C@H]1C 1179452705 WXJGYZURZLLQNI-AGIUHOORSA-N 324.425 -0.136 30 20 DBED COCC#CCNC[C@H]1CCN(C(=O)C2(C(N)=O)CC2)C[C@@H]1C 1185041289 TTZFGDDZJWZCCK-UONOGXRCSA-N 321.421 -0.024 30 20 DBED CC#CCNC[C@@H]1CCN(C(=O)CS(=O)(=O)NC)C[C@@H]1C 1185718369 IYPQCCNSFPEZFA-STQMWFEESA-N 315.439 -0.367 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2cc(C)nn2C)C1 1189122985 NDVRFRCYFCMSOQ-ZDUSSCGKSA-N 317.393 -0.376 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)Cc2cc[nH]n2)C1 1189500536 VBKUEUFFECKZTK-CYBMUJFWSA-N 303.366 -0.766 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@@H](N(C)Cc2cnn(C)n2)C1 1190094552 LOQPESNEKLGXRE-GXTWGEPZSA-N 305.382 -0.114 30 20 DBED N#CCSCC(=O)N[C@@H]1CN(CC[C@H]2CCCO2)C[C@H]1O 1191162343 RHKCGZAYDATCPF-JHJVBQTASA-N 313.423 -0.026 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2[nH]nnc2C)C1 1191667780 ZDDMUBJNGFRCKP-NSHDSACASA-N 306.370 -0.438 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2cnc(O)n2C)C1 1191706765 KJDNHBKQYFLNQX-NSHDSACASA-N 321.381 -0.426 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2ocnc2C)C1 1192068844 BXNPZZLEZIEYAG-GHMZBOCLSA-N 308.338 -0.940 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@@H]1CCN(C(=O)CCN(C)C)C1 1192153323 OLOUHZOAQGNCBS-UONOGXRCSA-N 308.426 -0.391 30 20 DBED CCc1nnc(CN2C[C@@H](O)[C@H](NC(=O)C#CC(C)C)C2)n1C 1192722151 JLUFGZJLDQIZAW-CHWSQXEVSA-N 319.409 -0.302 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)Cc2cn(C)nc2C)C1 1193812250 MREWFQHVIPPHPJ-HUUCEWRRSA-N 320.393 -0.918 30 20 DBED N#CCNC(=O)CN1CCCN(C(=O)c2cscn2)CC1 1195201558 VQCZSKRDZNSIQW-UHFFFAOYSA-N 307.379 -0.069 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)CN2CCOCC2)CC1 1195516134 XFOUPIRGGVIGEA-UHFFFAOYSA-N 324.425 -0.845 30 20 DBED C#CCNC(=O)CC(=O)N1CCCN(Cc2ccon2)CC1 1195535601 NUPOYRSCPSJRLT-UHFFFAOYSA-N 304.350 -0.152 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCCN(C(=O)[C@H](CC)N(C)C)CC1 1197181265 VMRGRSBGWAAFLU-CABCVRRESA-N 322.453 -0.001 30 20 DBED CNC(=O)[C@@H](C)NC[C@H]1CN(C(=O)C#CC2CC2)CCCO1 1200452555 JCYMWBKXIXLZBB-OCCSQVGLSA-N 307.394 -0.259 30 20 DBED CC(C)C#CC(=O)N1CCCO[C@H](CNCc2nnnn2C)C1 1200460380 BFZHRWOSPGQGLX-CYBMUJFWSA-N 320.397 -0.423 30 20 DBED COCC#CCNC1CCN(C(=O)[C@@H]2CN(C)C(=O)N2)CC1 1201966415 FNTWKMWIEHBAJI-ZDUSSCGKSA-N 308.382 -0.760 30 20 DBED C#CCNC[C@@H]1CN(C(=O)CS(=O)(=O)CC)CCCO1 1202155274 XHSDQYBAXMLGLF-GFCCVEGCSA-N 302.396 -0.739 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)c2cc(C)[nH]n2)[C@H](C)C1 1206266844 CKBGOMPWMOQHGM-MPKXVKKWSA-N 317.393 -0.094 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2coc(C)n2)[C@H](C)C1 1206897765 NKICPCRCTYZJOS-ZYHUDNBSSA-N 304.350 -0.217 30 20 DBED Cc1ocnc1C(=O)N1CCC[C@H](NCC(=O)NCC#N)C1 1207555439 ACZTXOZAVMQHML-NSHDSACASA-N 305.338 -0.183 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@@H](NCc2cnn(C)c2)C1 1207870483 ZOEJTKXOPGUFRN-CQSZACIVSA-N 317.393 -0.360 30 20 DBED C#CCCCC(=O)N1CCC[C@H](N[C@@H](C)C(=O)NC(N)=O)C1 1207945311 ZNRWHSKFPCXPKI-RYUDHWBXSA-N 308.382 -0.046 30 20 DBED C#CCN1C[C@@H](NC(=O)C[C@]2(C)CCS(=O)(=O)N2)[C@H](C)C1 1210635309 DWFDPEUCGIYFHI-BZPMIXESSA-N 313.423 -0.472 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)Cn2cncn2)[C@H](C)C1 1210843111 NSYJJERSTVFNQA-VXGBXAGGSA-N 306.370 -0.983 30 20 DBED C=CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)C(=O)NCC(F)F 1218220029 ODSXIFKHHGJKAX-WDEREUQCSA-N 317.336 -0.145 30 20 DBED Cc1ccoc1C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@@H]1O 1219178636 GUMKFNPLNLWNFA-MNOVXSKESA-N 306.322 -0.997 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)CCOCC(C)C)C1 1219251764 SRUHRVLVBAFZNW-CABCVRRESA-N 312.410 -0.140 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2ncccc2C)C1 1219432549 BODAPUOYHUJPLK-OLZOCXBDSA-N 318.377 -0.533 30 20 DBED CC(C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@@H]1O)=C1CCC1 1219575085 XUWQJIKDJNMFLF-OLZOCXBDSA-N 306.366 -0.712 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2cnc(C)o2)C[C@@H]1O 1219611997 URTCHLLQVKLIGS-KGLIPLIRSA-N 307.350 -0.316 30 20 DBED CN(CC(=O)N[C@@H]1CN(CC#N)C[C@@H]1O)C(=O)c1ccccc1 1220262906 KSFJDMIGDKCNHH-KGLIPLIRSA-N 316.361 -0.557 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)[C@@H](CCCC)NC(N)=O)C1 1221159394 MILFGWQXSHXNPK-UPJWGTAASA-N 312.414 -0.049 30 20 DBED Cn1cncc1C(=O)N1C[C@H]2CCN(CC(=O)NCC#N)C[C@H]21 1221672595 IDVAFEGRDDXXQD-DGCLKSJQSA-N 316.365 -0.794 30 20 DBED N#CCN1CC[C@@H]2CN(C(=O)CCCN3C(=O)CNC3=O)[C@@H]2C1 1222007215 LERMUWKMNFFNBS-VXGBXAGGSA-N 319.365 -0.625 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1CCN(C[C@H](O)COC)CC1 1223182442 DVWRJYGZEQWENF-ZFWWWQNUSA-N 312.410 -0.140 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)c2c[nH]nc2C)CC1 1223981816 VXOMPGOHMCZHQG-UHFFFAOYSA-N 317.393 -0.091 30 20 DBED Cc1nn[nH]c1C(=O)NCC1CCN(CC(=O)NCC#N)CC1 1224003802 ZZCLEBDDOAPQFQ-UHFFFAOYSA-N 319.369 -0.805 30 20 DBED CC#CCN1CCC(CNC(=O)CS(=O)(=O)NC)CC1 1225471981 ISPFEOWLHLJTEB-UHFFFAOYSA-N 301.412 -0.613 30 20 DBED C=C[C@](C)(O)CC(=O)NC1CCN(CCS(C)(=O)=O)CC1 1227124405 SLIPRIUXPJTEIP-AWEZNQCLSA-N 318.439 -0.061 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)c1cnc(C)[nH]1 1231207837 CHUZQYGRRIKVBE-GFCCVEGCSA-N 303.366 -0.386 30 20 DBED CN(CCCNC(=O)CSCC#N)[C@H]1CCC(=O)NC1=O 1234155056 UPZYENZEVFKFHZ-JTQLQIEISA-N 312.395 -0.514 30 20 DBED CN(C)C[C@H]1CCN(C(=O)C(=O)Nc2cnn(CC#N)c2)C1 1254409948 KXWSUSLASCJNOB-LLVKDONJSA-N 304.354 -0.245 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)Nc1cnn(CC(=O)N(C)C)c1 1320304331 XISZXTNPPLPSBM-SNVBAGLBSA-N 323.353 -0.773 30 20 DBED C#C[C@@H](NC(=O)C(=O)NCc1nnc2n1CCC2)[C@H]1CCCO1 1322971270 PZOZVFGETBHPIH-GHMZBOCLSA-N 317.349 -0.863 30 20 DBED COc1cc(CNC(=O)C(=O)N2CCO[C@@H](C#N)C2)ccc1O 1327432933 YVWVHUBQRZMPDC-NSHDSACASA-N 319.317 -0.232 30 20 DBED N#C[C@@]1(F)CCN(C(=O)C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)C1 1329040958 KIEVTFIQZXMTPJ-OTYXRUKQSA-N 308.313 -0.670 30 20 DBED O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@@H](C(=O)O)C1CC1 1329962698 IOOCGTLLXDQUHW-GYXQTMOZSA-N 307.306 -0.260 30 20 DBED C=CCOCCNC(=O)C(=O)NCC1([S@@](C)=O)CCC1 1330758495 ACYDCWXHEUHCMK-HXUWFJFHSA-N 302.396 -0.277 30 20 DBED CN(C[C@@H]1CCCOC1)C(=O)C(=O)N1CC[C@](O)(CC#N)C1 1332377940 WYNKHLFXJRUVMP-SWLSCSKDSA-N 309.366 -0.252 30 20 DBED C[C@H](NC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1)[C@@H]1CCOC1 1332466329 YSTZVFZAFNBHQY-SCRDCRAPSA-N 320.393 -0.274 30 20 DBED C#CCSCCn1nnnc1N1CCN(C(=O)COC)CC1 1334196879 PLRVBZWVOUKPOX-UHFFFAOYSA-N 324.410 -0.666 30 20 DBED COCCN(C)CCCNC(=O)C(=O)N1CC[C@](F)(C#N)C1 1345143551 ZLVMVEALFCXMLS-AWEZNQCLSA-N 314.361 -0.465 30 20 DBED C[C@@H]1C[C@H](N)CN1C(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1351984520 MKQLDCIPGSXGMU-MDZLAQPJSA-N 305.382 -0.867 30 20 DBED CC[C@@H](C[C@@H](C)CO)NC(=O)Cn1cc(C#N)c(O)nc1=O 1362246688 WFEHKFWYZCWDSY-KOLCDFICSA-N 308.338 -0.266 30 20 DBED CN(C[C@H]1CCC[C@@H]1O)C(=O)Cn1cc(C#N)c(O)nc1=O 1362299463 KDKGWWWEUNMOPF-KOLCDFICSA-N 306.322 -0.560 30 20 DBED CON1CCC(NC(=O)CCn2cc(C#N)c(O)nc2=O)CC1 1362769199 HQCFPGLANSLHRF-UHFFFAOYSA-N 321.337 -0.647 30 20 DBED CSc1nc(O)c(C(=O)N2C[C@@H](CO)[C@@H](O)C2)cc1C#N 1363249378 QAOZRDOAOIHMPB-WPRPVWTQSA-N 309.347 -0.194 30 20 DBED Cn1c(=O)[nH]c(N2CCOC[C@H]2[C@@H]2CCCO2)c(C#N)c1=O 1364177742 JXXIOZFNDCDVES-QWRGUYRKSA-N 306.322 -0.671 30 20 DBED N#Cc1ncn(CCNC(=O)N[C@H]2CCN(CC(F)F)C2)n1 1365586401 IHAOGGWDLDKRJL-VIFPVBQESA-N 313.312 -0.212 30 20 DBED N#C[C@H]1CN(S(=O)(=O)N[C@@H](CO)c2cccnc2)CCO1 1365721248 WZOPATPEYNRWFM-RYUDHWBXSA-N 312.351 -0.826 30 20 DBED CCC[C@@H](NC(N)=O)C(=O)NCCN(C)c1nccnc1C#N 1365772334 KPWLTQCFWCLANM-SNVBAGLBSA-N 319.369 -0.262 30 20 DBED CCS(=O)(=O)CC(=O)NCC1(NC(=O)[C@H](C)C#N)CC1 1378874991 WABWTXPWCOXIQN-SECBINFHSA-N 301.368 -0.654 30 20 DBED CCC(=O)N[C@@H](C)C(=O)NC1CN(C(=O)c2ccc(C#N)[nH]2)C1 1387748527 PWTYKBBDWBHHIW-VIFPVBQESA-N 317.349 -0.258 30 20 DBED CCN1CCOC[C@@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H](C)C#N)C1 1396532423 PITYPPSUECKIJW-IGQOVBAYSA-N 322.409 -0.122 30 20 DBED CNS(=O)(=O)CC(=O)N[C@@H](C)CNCc1ccccc1C#N 1406560923 RFXQJPNQJMENJU-NSHDSACASA-N 324.406 -0.298 30 20 DBED COc1cccnc1C(=O)NC[C@@H](O)CNC(=O)[C@@H](C)C#N 1410155217 WPXNRIQBFDJZLA-UWVGGRQHSA-N 306.322 -0.543 30 20 DBED C[C@H](C#N)C(=O)NC[C@@]1(C)CCN(C(=O)c2ncn(C)n2)C1 1411064718 VFCIGTQBKBGELA-QMTHXVAHSA-N 304.354 -0.057 30 20 DBED N#Cc1ccc(NCC(=O)NC[C@@]2(O)CCS(=O)(=O)C2)cc1 1412137136 KYKSWQJHDXDMHA-AWEZNQCLSA-N 323.374 -0.364 30 20 DBED N#Cc1cccc(CNC(=O)Cn2c(=O)[nH]cc(C#N)c2=O)c1 1412918590 ABBOVHSTWZSZQA-UHFFFAOYSA-N 309.285 -0.404 30 20 DBED CCS(=O)(=O)CC(=O)NC[C@H](NC(=O)[C@H](C)C#N)C1CC1 1447186876 VDABJCWRKBLFRS-KOLCDFICSA-N 315.395 -0.408 30 20 DBED CO[C@@H](C(=O)N1CC(CNC(=O)[C@@H](C)C#N)C1)c1cnn(C)c1 1450710407 ICXOYMRPGFBIFR-GXFFZTMASA-N 319.365 -0.158 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CN(C)C(=O)c1n[nH]c2c1CCC2 1451889959 LQPUQSWYIYMXNW-NXEZZACHSA-N 319.365 -0.393 30 20 DBED C[C@H](C#N)C(=O)N(C)CCN(C)C(=O)c1ccc(C(N)=O)cn1 1452170662 BWEIZTHZVONLBS-SNVBAGLBSA-N 317.349 -0.129 30 20 DBED CCO[C@@H](C)C(=O)NC1CN(CC(=O)N(CC)CCC#N)C1 1481545835 HFRQEUKLRCIQOV-LBPRGKRZSA-N 310.398 -0.026 30 20 DBED CCN(CCC#N)C(=O)CN1CC(NC(=O)c2n[nH]cc2C)C1 1481557068 CTRFFXPBNSZVEL-UHFFFAOYSA-N 318.381 -0.106 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCN(C[C@@H](O)COC)C2)nn1 1490565655 OFBZIWGOWMZSJT-NWDGAFQWSA-N 309.370 -0.725 30 20 DBED CCc1ncoc1C(=O)N(C)C[C@H](O)CNC(=O)[C@@H](C)C#N 1511617664 XBVBSLFQRYNSED-VHSXEESVSA-N 308.338 -0.054 30 20 DBED CC[C@@H](CNC(=O)C(C)(C)S(C)(=O)=O)NC(=O)[C@@H](C)C#N 1531508202 RWYXHVUISPEFHL-UWVGGRQHSA-N 317.411 -0.020 30 20 DBED COc1cc(C(=O)NC[C@@]2(O)CCN(C(=O)[C@@H](C)C#N)C2)on1 1537342543 KUJLODVTEZUNMJ-XPTSAGLGSA-N 322.321 -0.464 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2c(C)cnn2C)C1 1567101945 SOERVUPAOWSEFB-LBPRGKRZSA-N 303.366 -0.718 30 20 DBED C#CCC1(O)CCN(C(=O)NCCN2CCC(N)CC2)CC1 1574544954 KYGPGPLIMSJTFJ-UHFFFAOYSA-N 308.426 -0.031 30 20 DBED C=CCOC[C@H](NC(=O)CO[C@@H]1CCCNC1)C(=O)OC 1574944172 ZEOASHYHRLGMBG-NEPJUHHUSA-N 300.355 -0.385 30 20 DBED COC[C@@H]1CNCCN1C(=O)CCN/C(O)=C1/N=CC=CC1=O 1578988814 ITYJBMOQKPDFTK-ICFTUWFRSA-N 322.365 -0.650 30 20 DBED C#CC[C@H](NC(=O)c1cc(-c2nn[nH]n2)ccn1)C(=O)OC 1588333705 BSCRORGVENLQTQ-VIFPVBQESA-N 300.278 -0.444 30 20 DBED C=CCn1c([C@@H]2CNC(=O)C2)nnc1N1CCO[C@@H](C(=O)O)C1 1588898019 QJZLDCRIRGRPOR-VHSXEESVSA-N 321.337 -0.643 30 20 DBED C[C@@]1(C#N)CCN(C(=O)C(=O)N2CCO[C@@H](CC(=O)O)C2)C1 1593742775 FBKYPSPZIDFRJZ-HZMBPMFUSA-N 309.322 -0.549 30 20 DBED CCC[C@H](C(=O)N1CCC(C#N)(C(=O)O)CC1)S(N)(=O)=O 1595533493 XWMQTGOATLUHMB-SECBINFHSA-N 317.367 -0.339 30 20 DBED Cc1cc(C(=O)N2CCNC(=O)[C@@H]2CC(=O)O)ncc1C#N 1600084436 JHZSCNBRXDFMLP-NSHDSACASA-N 302.290 -0.323 30 20 DBED Cc1cccc(=O)n1C[C@](C)(O)C(=O)N(CC#N)CCC(=O)O 1600510564 UQHWHWMBYGNFQU-HNNXBMFYSA-N 321.333 -0.265 30 20 DBED C#CC[C@@H](COC)Nc1nc(O)n(C)c(=O)c1-c1nn[nH]n1 1602697177 KTKDUCJGFWHKGP-ZETCQYMHSA-N 305.298 -0.884 30 20 DBED C#CCO[C@@H](C)C(=O)NCCN(C)c1ccnc(C(=O)O)n1 1602726879 VYSPYYQOMWWBFJ-JTQLQIEISA-N 306.322 -0.235 30 20 DBED C=CCO[C@@H]1CCN(C(=O)C(=O)Nc2c(C(=O)O)cnn2C)C1 1602906214 AGSQLNPBQMUHJB-SECBINFHSA-N 322.321 -0.140 30 20 DBED CN1C[C@@H](C(=O)O)N(C(=O)COc2ccc(C#N)cc2)CC1=O 1606200442 TZVHXTPPAWPIGV-LBPRGKRZSA-N 317.301 -0.309 30 20 DBED C=C[C@H](O)C(=O)OCCCN1C(=O)CS/C1=C/C(=O)O 1609287471 RCTICXKJJGCOHD-QMEHYBMDSA-N 301.320 -0.032 30 20 DBED CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2CC(=O)NCC#N)N(C)C 1732149145 PCTPHKBYXQLJIJ-AVGNSLFASA-N 307.398 -0.749 30 20 DBED COCC#CCN1CCN(CCNC(=O)[C@H]2CCOC2)CC1 1752362617 IHRQACAAMQEPCD-HNNXBMFYSA-N 309.410 -0.594 30 20 DBED Cn1cc(C(=O)NC[C@@H](NCC(=O)NCC#N)C2CC2)cn1 1752450121 KGPGLMYKNSCVTQ-GFCCVEGCSA-N 304.354 -0.842 30 20 DBED COC[C@H](C)C(=O)N1[C@H]2CC[C@H]1CN(CC(=O)NCC#N)C2 1752533094 ZPOZMEIPVMENIK-AVGNSLFASA-N 308.382 -0.416 30 20 DBED N#CCNC[C@H]1CCCN(C(=O)CCC(=O)N2CCOCC2)C1 1752813073 WQFPLQNCFHNLLA-CQSZACIVSA-N 322.409 -0.023 30 20 DBED C#CCNC(=O)CN[C@H](C)CNC(=O)Cc1ccc(F)cn1 1752882592 YPALLAVEZKQDPC-LLVKDONJSA-N 306.341 -0.393 30 20 DBED COCC#CCN(CCNC(=O)[C@@H]1CCC(=O)NC1)C1CC1 1753157503 MESVQOITWFZKRC-CYBMUJFWSA-N 307.394 -0.257 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1CC(NC(=O)C2CCC2)C1 1753369301 NQMGWZJXGCHQNA-JTQLQIEISA-N 308.382 -0.013 30 20 DBED CC#CCN[C@@H]1CCN(C(=O)Cn2ccc(O)nc2=O)C[C@H]1C 1753756388 DFERGBNKAIAGGQ-CHWSQXEVSA-N 318.377 -0.201 30 20 DBED C=CCCNCC[C@@H](C)NC(=O)Cn1ncn2nccc2c1=O 1754007255 IPUCJYIOALMFLV-GFCCVEGCSA-N 318.381 -0.049 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)Cn2cccn2)[C@H](C)C1 1754590257 LVTSRJLJVVHTGO-KGLIPLIRSA-N 317.393 -0.398 30 20 DBED COCC#CCN1CC[C@](O)(CNC(=O)CCCN(C)C)C1 1754755529 WWKKHXWETMMEGQ-INIZCTEOSA-N 311.426 -0.469 30 20 DBED CCCN(C)CC(=O)N1C[C@H](CNCC(=O)NCC#N)[C@@H](C)C1 1754825490 LBZMKPOPQQZRKN-KBPBESRZSA-N 323.441 -0.348 30 20 DBED CCn1nncc1C(=O)N1CCO[C@H](CNCC#CCOC)C1 1754999162 CSWBUUDRWFWCDC-CYBMUJFWSA-N 321.381 -0.622 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)[C@@H](CCCC)NC(N)=O)CO2)C1 1755067901 MKERYUFMHRQRES-CHWSQXEVSA-N 322.409 -0.194 30 20 DBED C=CCN1CCC(CO)(NC(=O)[C@H]2CN(CC)CCO2)CC1 1755183095 ZHRIROZDUCTGBP-CQSZACIVSA-N 311.426 -0.164 30 20 DBED C=CCNC(=O)CN[C@@H](C)[C@@H](C)NC(=O)c1cc(OC)ncn1 1755254315 OMDOCIXMDPRBJV-WDEREUQCSA-N 321.381 -0.116 30 20 DBED CC(C)[C@@H](CCNC(=O)C1=COCCO1)NCC(=O)NCC#N 1755547648 OGURVKMVXIFGFE-GFCCVEGCSA-N 324.381 -0.365 30 20 DBED C#CCOCCC(=O)N1C[C@H](NCC(=O)NCC#N)C[C@H]1C 1755678119 GPZSOJGTKNUZAS-CHWSQXEVSA-N 306.366 -0.755 30 20 DBED CC(C)C#CC(=O)NC[C@H]1[C@@H]2CN(C(=O)c3cnn(C)n3)C[C@H]12 1756199457 WYTKVWIYWZMAMI-XYYAHUGASA-N 315.377 -0.091 30 20 DBED C#CCOCCC(=O)N(C)C[C@@H](O)CNC(=O)C(C)(F)F 1756663288 OJQHFLXKZLYGDV-JTQLQIEISA-N 306.309 -0.383 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H](O)CN(C)C(=O)c1ncccn1 1756676553 JMIVEONKDSPUGU-NWDGAFQWSA-N 320.349 -0.936 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CN(C(=O)COCC2CC2)C[C@@H]1O 1757170984 BXUOATDKVKLQNA-KGLIPLIRSA-N 306.362 -0.486 30 20 DBED C=CCCO[C@@H](C)C(=O)N1C[C@H](O)[C@H](NC(=O)c2nc[nH]n2)C1 1757199858 GQWJVVVKEQFXKR-AXFHLTTASA-N 323.353 -0.913 30 20 DBED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)CC)C2 1781688954 AUGQVJKIJZSDCD-XJKCOSOUSA-N 308.378 -0.096 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cscn1 1794798308 CWYWWODAADCLCH-DDFAGTSDSA-N 305.359 -0.021 30 20 DBED CN1CCC[C@H]1C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846194825 UEDNPVPBGDFYOI-LBPRGKRZSA-N 319.361 -0.628 30 20 DBED N#Cc1ccc(S(=O)(=O)NC[C@H](CC(=O)O)C(=O)O)cn1 274919184 ARURWNYIFREYDY-ZETCQYMHSA-N 313.291 -0.593 30 20 DBED N#Cc1cc(NC(=O)C(=O)N2C[C@@H](O)[C@H](O)C2)ccc1Cl 277556767 OULUHIJQPXKVQU-GHMZBOCLSA-N 309.709 -0.286 30 20 DBED O=S1(=O)C[C@@H](N2CCOCC2)[C@@H](/N=C(/O)[C@H]2CCCO2)C1 328787616 PBBHZAWOFKNYDD-QJPTWQEYSA-N 318.395 -0.380 30 20 DBED CN(/C(O)=N/CC1(CS(C)(=O)=O)CC1)[C@@H]1COC[C@H]1O 329295556 SLOTXNGLWWKXBH-NXEZZACHSA-N 306.384 -0.583 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@@H]1CC(=O)N(C)C1=O 330672978 DTAODXWJTYSIHP-DTWKUNHWSA-N 302.356 -0.940 30 20 DBED C[C@H](O)CN1CCN(/C(O)=N/CCCS(C)(=O)=O)C[C@H]1C 330875545 ZYRCFEAKNZRMIQ-NEPJUHHUSA-N 321.443 -0.278 30 20 DBED COC(=O)[C@H]1CN(S(=O)(=O)N(C)[C@@H](C)CC#N)CCO1 337871903 RQMUZZZZEZZUGN-VHSXEESVSA-N 305.356 -0.661 30 20 DBED C[C@H](CNC(=O)CNc1ccc(C#N)cn1)N1CCN(C)CC1 345432525 ZVLSTAQWBMNGFO-CYBMUJFWSA-N 316.409 0.117 30 20 DBED COc1ccc(C#N)cc1NC(=O)C(=O)NCCn1cncn1 347951088 COGDIKYVQXSZSZ-UHFFFAOYSA-N 314.305 -0.087 30 20 DBED CNC(=O)NC(=O)CCN(CCC#N)CCN1CCOCC1 348632352 FIXNOZNTZOTTGJ-UHFFFAOYSA-N 311.386 -0.620 30 20 DBED Cc1cccc(NC(=O)C(=O)NC[C@]2(O)CCN(C)C2)c1C#N 358373256 CPAAZFGBZAMRSB-MRXNPFEDSA-N 316.361 -0.012 30 20 DBED C=C(C)CN(CC)C(=O)C(=O)N1CCN([C@@H]2CCNC2)CC1 422984904 BOCVHJYWNXNVRP-CQSZACIVSA-N 308.426 -0.083 30 20 DBED N#Cc1ccc(C(=O)NCCCN2C(=O)CNC2=O)cc1O 442644531 FMIJLHYGWUBHPL-UHFFFAOYSA-N 302.290 -0.064 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)COc2cccnc2)CC1 491209628 JLPBHSZLVGXVFT-UHFFFAOYSA-N 316.361 -0.646 30 20 DBED COCCN(CCC#N)S(=O)(=O)NC[C@](C)(O)COC 548832519 QDABUPUBACHMJY-NSHDSACASA-N 309.388 -0.920 30 20 DBED CC(C)[C@H](N)CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 572644635 HWSWMOILLIRQRW-CYBMUJFWSA-N 324.406 -0.064 30 20 DBED C=CCOC[C@H](NC(=O)c1nc2ncc(C)cn2n1)C(=O)O 575073670 PSUWDRBPXPZRPE-VIFPVBQESA-N 305.294 -0.182 30 20 DBED Cn1c(N2CCC(F)(F)[C@@H](CO)C2)c(C#N)c(=O)n(C)c1=O 589695526 GZXWVRRHHJMQKP-MRVPVSSYSA-N 314.292 -0.590 30 20 DBED C[C@@H](C#N)N(Cc1nc2c(=O)n(C)c(=O)n(C)c2[nH]1)C1CC1 595712010 FKFZBDSOZMVYRS-QMMMGPOBSA-N 302.338 -0.163 30 20 DBED N#Cc1ccc(OC[C@@H](O)CNC2(C(N)=O)CCOCC2)cc1 595728401 NMCWSIJMBKANPP-ZDUSSCGKSA-N 319.361 -0.078 30 20 DBED CN(C)C[C@@](C)(C#N)NC(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1 602333716 OQULSPLOPHNMOZ-XHDPSFHLSA-N 318.381 -0.267 30 20 DBED C[C@@H](CCC#N)CN1CCN(C(=O)C(=O)N2CCOCC2)CC1 602430394 LOTBVTHSWBGIDN-AWEZNQCLSA-N 322.409 -0.071 30 20 DBED C=C[C@](C)(O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 669122200 NEPPDYSXZTWJDE-AWEZNQCLSA-N 308.338 -0.383 30 20 DBED C#Cc1ccc(C(=O)NCCS(=O)(=O)N2CCOCC2)nc1 728819616 AKKNZVJFZQCKGB-UHFFFAOYSA-N 323.374 -0.545 30 20 DBED CN1CCN(CC(=O)NCCNc2ncccc2C#N)CC1 731870983 BQNVFNZMKVPUHS-UHFFFAOYSA-N 302.382 -0.271 30 20 DBED C#CCOCCC(=O)N1CCC(N2CCC[C@H]2C(N)=O)CC1 755837300 FIQNRKNIUCRDFY-AWEZNQCLSA-N 307.394 -0.033 30 20 DBED COCC(=O)N(C)CC(=O)O[C@H](C(N)=O)c1ccc(C#N)cc1 758799063 JGBOICQLBSCOSP-AWEZNQCLSA-N 319.317 -0.267 30 20 DBED C#C[C@H](NC(=O)N1CCN2C(=O)NC(=O)[C@H]2C1)[C@@H]1CCCO1 776236110 XUXXGTDFYBSEIA-AXFHLTTASA-N 306.322 -0.887 30 20 DBED C#CCC[C@H](O)CNC(=O)[C@H](O)[C@H](O)c1nc2ccccc2[nH]1 799077894 SYPZNOCLYJYHFW-LEWSCRJBSA-N 317.345 -0.152 30 20 DBED Cc1nn(C)c(N2CCN([C@H]3CCC(=O)NC3=O)CC2)c1C#N 799167215 QFMZAHVRPPQGFH-LBPRGKRZSA-N 316.365 -0.473 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CC[C@H](N2CCCC2)C1)[C@@H]1CCCO1 809304841 RHXCPDXBOARLFA-KKUMJFAQSA-N 319.405 -0.020 30 20 DBED C[C@@H]1CCCC[C@@H]1NC(=S)NN=C1C(=O)NC(=O)NC1=O 814215392 OPOKBKOGBBRPFC-RQJHMYQMSA-N 311.367 -0.249 30 20 DBED C[C@@](C#N)(CC(=O)O)C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 819821697 JJFUKGAXSJETHX-CABZTGNLSA-N 317.367 -0.469 30 20 DBED C#CCNC(=O)COC(=O)[C@H](NS(=O)(=O)C1CC1)C(C)C 849882052 NYPZETJSBYHKRC-GFCCVEGCSA-N 316.379 -0.615 30 20 DBED C#CC1(O)CN(C(=O)[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)C1 890524043 ZHTNGGOLJDXEFQ-NSHDSACASA-N 310.350 -0.171 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)NCCCCC)CC1 891410685 UGCMCGWAZWZBJT-UHFFFAOYSA-N 316.427 -0.029 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)OC 901226764 WPQCRFVENGLDGW-STQMWFEESA-N 304.350 -0.292 30 20 DBED C#CCN1CCC[C@@H](NC(=O)C2=NN(CCO)C(=O)CC2)C1 923567104 RVCYAFLSCIAWBI-GFCCVEGCSA-N 306.366 -0.829 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@H](NC(=O)c3cnon3)C2)c1 938505325 WBSVKJRCLVBRJZ-VIFPVBQESA-N 300.278 -0.086 30 20 DBED CN1CCOC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)C#CC1CC1 944008236 YSSGZBOHKVDESW-CABCVRRESA-N 319.405 -0.162 30 20 DBED C=CC(C)(C)C(=O)N1CCO[C@@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 944749446 XINFYPLRIHLROI-QWRGUYRKSA-N 324.381 -0.776 30 20 DBED C=C1CCC(C(=O)NC[C@H]2CN(C(=O)CC(N)=O)CCO2)CC1 944759981 XDWLRGMPOJWFJF-ZDUSSCGKSA-N 323.393 -0.048 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCCN(C(=O)CC(N)=O)C2)nn1 950258433 RLEFZEZZUCORNJ-SNVBAGLBSA-N 320.353 -0.940 30 20 DBED CN1C[C@H](C(=O)N[C@@]2(C)CCN(C(=O)C#CC3CC3)C2)NC1=O 957272493 LUESZAIEAIRRBN-WBMJQRKESA-N 318.377 -0.469 30 20 DBED Cn1cc(C(=O)NC[C@@H]2CN(CC#N)C[C@H]2O)c(C(F)F)n1 958145718 QBJQLFJRVSPUOF-PSASIEDQSA-N 313.308 -0.096 30 20 DBED C#CCN1C[C@H](CNC(=O)c2cn(CC3CC3)nn2)[C@@H](O)C1 958524583 AMZNBJIZHJJUHQ-JSGCOSHPSA-N 303.366 -0.656 30 20 DBED C=CCCN1C[C@H]2C(NC(=O)CN3C(=O)CN(C)C3=O)[C@@H]2C1 962493261 SIDCPWBSAIWBPV-GHMZBOCLSA-N 306.366 -0.497 30 20 DBED Cc1ccnc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)n1 962575234 CFDDHXMUMRTUPM-IEBDPFPHSA-N 303.322 -0.754 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@H](NC(=O)[C@@H]2CCN(C)C2)C1 963394074 LQKAEKAKCRGVDV-UPJWGTAASA-N 309.410 -0.162 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(C[C@H](NC(=O)Cn3ccnc3)CO2)C1 965728965 QOFPCZWOJGADBB-RYUDHWBXSA-N 317.349 -0.471 30 20 DBED C=CC(C)(C)C(=O)N1CC(N(CC)C(=O)[C@@H]2CNC(=O)N2)C1 968303456 GSVXVZSXSHCYBP-NSHDSACASA-N 308.382 -0.061 30 20 DBED N#Cc1ccc(C(=O)N2C[C@H](O)[C@H](NC(=O)c3cnco3)C2)[nH]1 969190564 CRWFNGRQWUDZLS-MNOVXSKESA-N 315.289 -0.510 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)[C@@H]3COCCN3C)[C@H]2C1 976397396 XDKGURFCVGMBSL-IEECTRCBSA-N 306.366 -0.950 30 20 DBED CN(C[C@@H]1CCN1C(=O)C#CC1CC1)C(=O)c1cn(C)nn1 977646255 ABIHNLTVEOROMF-LBPRGKRZSA-N 301.350 -0.099 30 20 DBED N#Cc1ccc(C(=O)NC[C@H]2[C@@H]3CN([C@@H]4CCNC4=O)C[C@H]23)[nH]1 978022754 QEXOUMRRTVKTDG-NRWUCQMLSA-N 313.361 -0.318 30 20 DBED C=CCN[C@H]1CCN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)[C@H]1C 987186188 BCHAZMKYECVHBY-JQWIXIFHSA-N 316.365 -0.164 30 20 DBED C[C@@H]1[C@@H](NC(=O)C2CS(=O)(=O)C2)CCN1C(=O)C#CC1CC1 988205042 DZABASPOUOOSNM-MFKMUULPSA-N 324.402 -0.450 30 20 DBED C[C@H]1C[C@@H](NCC#N)CN1C(=O)c1cn(CC(=O)N(C)C)nn1 989831991 OFUPKYJLMPCLBI-WDEREUQCSA-N 319.369 -0.918 30 20 DBED C=CCN1CCC[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)[C@H]1C 993921265 WGMHKYYTBDZOCJ-DGCLKSJQSA-N 320.393 -0.147 30 20 DBED C#CCCN1CCC[C@@H](NC(=O)CN2CCC(=O)NC2=O)[C@H]1C 994168628 PUQHQYVGFGAHHA-CHWSQXEVSA-N 320.393 -0.079 30 20 DBED C[C@H](C#N)C(=O)N1CC(NC(=O)[C@H]2CCCN(C(N)=O)C2)C1 995436813 FOPUPZQTNWZZBC-ZJUUUORDSA-N 307.354 -0.736 30 20 DBED NC(=O)N1CCC[C@@H](C(=O)NC2CN(C(=O)C#CC3CC3)C2)C1 995437524 GSYHJOVENREIAB-GFCCVEGCSA-N 318.377 -0.483 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)c3cnnn3C)C2)cn1 997090277 MXKLIMMYGRMNKM-UHFFFAOYSA-N 310.317 -0.554 30 20 DBED CC(=O)N1CC[C@](C)(C(=O)NC2CN(C(=O)[C@@H](C)C#N)C2)C1 999701158 FGCAGBRVELKALK-BONVTDFDSA-N 306.366 -0.268 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)c2cncn2C)C1 1000013140 DATRTNVEYSBFFX-YPMHNXCESA-N 304.350 -0.048 30 20 DBED C[C@@H](C#N)C(=O)N1CC(CNC(=O)c2ccc(C(N)=O)cn2)C1 1002913808 MDIOTXCLHUPHIY-VIFPVBQESA-N 315.333 -0.472 30 20 DBED C=C(Cl)CN1CCC(NC(=O)C[C@@H]2NC(=O)NC2=O)CC1 1003045437 PHLFDMPEEZAVJS-JTQLQIEISA-N 314.773 -0.082 30 20 DBED CC#CCN1CCC(N(C)C(=O)Cn2ccc(O)nc2=O)CC1 1005674817 BQRUVVOTFPHYMD-UHFFFAOYSA-N 318.377 -0.105 30 20 DBED CC1(C)C(=O)NC(=O)N1CC(=O)N[C@H]1CCCN(CC#N)C1 1009092545 ASPJFDNKARCQHC-JTQLQIEISA-N 307.354 -0.579 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2C[C@H](C)N(C(=O)C(N)=O)C2)nc1 1010286151 UYJXNCLHISONMI-CMPLNLGQSA-N 314.345 -0.485 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCN(C(=O)CCc3nc[nH]n3)C2)C1 1019361847 SSOAAHJONXJSBS-LLVKDONJSA-N 316.365 -0.042 30 20 DBED C#Cc1cncc(C(=O)N2CC[C@H]3CN(C(=O)C(N)=O)C[C@H]32)c1 1022634826 FJSJETQKCNHXBC-WCQYABFASA-N 312.329 -0.779 30 20 DBED CCn1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2O)n1 1023688212 YYZIULFKRTXLAE-MVWJERBFSA-N 305.338 -0.636 30 20 DBED N#CCN1CCC[C@@H]1CNC(=O)[C@@H]1Cc2cncn2C(=O)N1 1028043515 QLBSFWQDHJTKQC-PWSUYJOCSA-N 302.338 -0.530 30 20 DBED C=CCN1CC[C@H](N2CC(CNC(=O)c3cnon3)C2)C1=O 1032062680 DTEQVMXEJHYLPI-LBPRGKRZSA-N 305.338 -0.482 30 20 DBED CC#CCN1CC[C@@H]2CN(C(=O)Cn3cnnc3O)CC[C@H]21 1036692919 OSXBCXKYOANDCH-CHWSQXEVSA-N 303.366 -0.070 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@]1(O)CCN(C(=O)c2cnco2)C1 1039724586 AJDURBZYDGJREX-ABAIWWIYSA-N 321.333 -0.594 30 20 DBED C[C@@H]1CN(C(=O)C(N)=O)C[C@@]1(C)CNc1nccnc1C#N 1040348206 JLSKTHLLEMHFAO-YMTOWFKASA-N 302.338 -0.270 30 20 DBED Cc1conc1C(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1O 1041157598 CJKWCOFGZCQKOH-GHMZBOCLSA-N 314.305 -0.376 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)c2cnn(C)c2C)C1 1041477969 FLWANPYWZKTJIG-UHFFFAOYSA-N 322.365 -0.766 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2C2CC2)C1 1042052637 PFXRAPPEWFWPRS-QWHCGFSZSA-N 308.378 -0.075 30 20 DBED C#CCN1CC[C@H]2CCN(C(=O)CN3CC(=O)N(C)C3=O)C[C@H]21 1042311324 JBPAYIFRVKWAAL-QWHCGFSZSA-N 318.377 -0.564 30 20 DBED CC(C)(C)C#CC(=O)NCC1(O)CN(C(=O)[C@@H]2CCC(=O)N2)C1 1042966164 POQXVUNHNQFBBB-NSHDSACASA-N 321.377 -0.996 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)CCOCC2CC2)C1 1043044569 YRGGMOWGJADLLG-LLVKDONJSA-N 309.366 -0.348 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)C2(COC)CC2)C1 1043865583 KHYVIFIVZUMUOM-UHFFFAOYSA-N 308.378 -0.094 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)[C@H]2CCC(=O)N2C)C1 1044463528 GREJHJPEURBVHR-LLVKDONJSA-N 323.393 -0.491 30 20 DBED COCC1(CC(=O)N2CC(O)(CNC(=O)[C@@H](C)C#N)C2)CC1 1045541329 UATTUAAKGKGTOF-NSHDSACASA-N 309.366 -0.348 30 20 DBED C=CCCC1(C(=O)NCC2(O)CN(C(=O)CNC(C)=O)C2)CC1 1045773263 ZLQZTNLOPJNRMQ-UHFFFAOYSA-N 323.393 -0.442 30 20 DBED Cc1ccn(CC(=O)N2CCN([C@H]3CCN(CC#N)C3)CC2)n1 1046063487 PHGMOAPKTZLRLQ-HNNXBMFYSA-N 316.409 -0.066 30 20 DBED C#CCN1C[C@H]2C[C@H](NC(=O)CN3C(=O)CN(C)C3=O)C[C@H]1C2 1047197357 FXDILXLUDYDIQN-RWMBFGLXSA-N 318.377 -0.517 30 20 DBED CN(C(=O)c1cnc2c(c1)ncn2C)[C@H]1CN(CC#N)C[C@@H]1O 1047483491 NIAXTKQIVPEQAW-STQMWFEESA-N 314.349 -0.391 30 20 DBED C=CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3nn[nH]c3C2)C1 1047593502 JRIGLFRYZPFJSL-UGFHNGPFSA-N 319.409 -0.011 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCN(C(C)=O)C2)C1 1047613120 VPYKNMIFXNAKNA-ILXRZTDVSA-N 307.394 -0.618 30 20 DBED CN(C)[C@H](Cn1cccn1)C(=O)N1C[C@@H]2CN(CC#N)C[C@@H]2C1 1048860975 IGKQNCHXVNVLQO-QLFBSQMISA-N 316.409 -0.273 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)c2ncccn2)C[C@@H]1O 1049395342 UDGZTTJEYDXDBZ-DCAQKATOSA-N 303.322 -0.720 30 20 DBED C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1nccnc1C(N)=O 1049885852 PRWCPVGZAJJNMA-RYUDHWBXSA-N 313.361 -0.112 30 20 DBED C#CCCN1CCOC[C@@H]1CNC(=O)[C@H]1CCNC(=O)CC1 1051045972 HGCVNBYMQQFDQI-KGLIPLIRSA-N 307.394 -0.257 30 20 DBED CC#CCN1CCN([C@@H]2CCN(C(=O)c3cn(C)nn3)C2)CC1 1052025638 ITDRLCMIFGFJRQ-CQSZACIVSA-N 316.409 -0.330 30 20 DBED C=CCN1CC2(CC[C@H](CNC(=O)[C@H]3COCCN3C)O2)C1 1053592822 SAQZSMQUDQAJAN-ZIAGYGMSSA-N 309.410 -0.147 30 20 DBED C=CCCN1CC2(C[C@H](NC(=O)[C@H]3COCCN3C)CO2)C1 1053782386 OLWPNYSAMQJRFQ-UONOGXRCSA-N 309.410 -0.147 30 20 DBED C=CCN1CC2(C[C@H](NC(=O)CC3CS(=O)(=O)C3)CO2)C1 1053851672 XRTKHTGWYOIWLV-LBPRGKRZSA-N 314.407 -0.433 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)c3ccnc4[nH]nnc34)CO2)C1 1053867365 JFYYNIGZXYQFHY-SNVBAGLBSA-N 312.333 -0.441 30 20 DBED C[C@@H](C#N)C(=O)NC1CCN(CCNC(=O)c2cc[nH]n2)CC1 1055527691 YXJKNQRDHMZDCP-NSHDSACASA-N 318.381 -0.120 30 20 DBED C#CCCCCC(=O)NCCN1CCC(NC(=O)C(N)=O)CC1 1055564048 SJRIIVWZMHFPHU-UHFFFAOYSA-N 322.409 -0.638 30 20 DBED N#Cc1ccc(N2CCN(C(=O)C[C@@H]3COC(=O)C3)CC2)nn1 1055769226 IFTNUHAYUYISDM-NSHDSACASA-N 315.333 -0.050 30 20 DBED C[C@@]1(C(=O)N2CCN(c3cnc(C#N)cn3)CC2)CCNC1=O 1056018631 IKYHNYSMADGYPT-OAHLLOKOSA-N 314.349 -0.477 30 20 DBED N#Cc1cncc(N2C[C@H]3C(NC(=O)[C@H]4COCCO4)[C@@H]3C2)n1 1056134200 GUKMTUOSNFBXIR-IJLUTSLNSA-N 315.333 -0.686 30 20 DBED C=CCO[C@H](C)C(=O)NCCN(CCO)C(=O)[C@H]1CCOC1 1057147126 CRULDUPRLLLMPV-OLZOCXBDSA-N 314.382 -0.449 30 20 DBED C#CCOCCC(=O)N(CCO)CCNC(=O)[C@H](C)SC 1057581127 MCEFXJULRAKKIK-LBPRGKRZSA-N 316.423 -0.285 30 20 DBED CN1C(=O)CC[C@@H]1C(=O)N[C@@H]1CCN(c2cnc(C#N)cn2)C1 1058523323 LRJWAOQHUWQWTP-ZYHUDNBSSA-N 314.349 -0.336 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)C1(CN(C)C)CC1 1058657051 PICAZUMCJKGTCY-LBPRGKRZSA-N 310.398 -0.575 30 20 DBED C=C[C@](C)(CC)C(=O)N(CCO)CCNC(=O)Cn1ncnn1 1058727793 BGKRHJUISKANGH-CQSZACIVSA-N 324.385 -0.788 30 20 DBED C=CCOCC(=O)N1CC[C@H](CCNC(=O)[C@H]2C[C@H]2C(N)=O)C1 1059337778 PJNDZTWHAVAMPT-XQQFMLRXSA-N 323.393 -0.335 30 20 DBED N#Cc1nc(=N[C@H]2C[C@@H](NC(=O)C[C@H]3CCNC3=O)C2)cc[nH]1 1059738680 CAYHRJJVOIHUCL-MXWKQRLJSA-N 314.349 -0.645 30 20 DBED Cn1ncc(C(=O)NC[C@H]2CCCN2c2ccc(C#N)nn2)n1 1061376904 UWSRPVFHWQQWND-LLVKDONJSA-N 312.337 -0.124 30 20 DBED C#CCCCC(=O)NC[C@@H]1COCCN1C(=O)CNC(C)=O 1061535371 CWVFZRPHMIQXOH-CYBMUJFWSA-N 309.366 -0.730 30 20 DBED N#Cc1ccc(N2C[C@@H]3C[C@H]2CN3C(=O)Cn2cnnn2)cn1 1062447909 NGHGQFINYXVYKN-STQMWFEESA-N 310.321 -0.571 30 20 DBED Cn1cnc(C(=O)N2C[C@@H]3C[C@H]2CN3c2cncc(C#N)n2)n1 1062486669 UWAFUJPYBLDGBC-QWRGUYRKSA-N 310.321 -0.420 30 20 DBED N#Cc1nc(=NCC[C@H]2CCCCN2C(=O)C(N)=O)cc[nH]1 1063844728 BTDKDUSYTMWYAY-SNVBAGLBSA-N 302.338 -0.561 30 20 DBED N#Cc1cncc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)c2ccc(O)nn2)n1 1064216438 NYTZPEFYNTWNMJ-FDLBOYPASA-N 323.316 -0.149 30 20 DBED CCOCC(=O)N1CCO[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 1064801524 CIAIYZLTNDOEKO-GFCCVEGCSA-N 320.349 -0.120 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)CCOCC)CCO1 1064962467 CJNOBCYJITVVNI-CYBMUJFWSA-N 314.382 -0.041 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)[C@@H](C)COC)CCO1 1064968378 VMAHJPWHCKXQGM-QWHCGFSZSA-N 314.382 -0.185 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H]1CN(C(=O)C#CC2CC2)CCO1 1065136994 KAPGZARDGOGHMP-ZFWWWQNUSA-N 318.373 -0.218 30 20 DBED NC(=O)CCCC(=O)N1CCO[C@@H](CNC(=O)C#CC2CC2)C1 1065307399 XGGDPENPUBZWHP-ZDUSSCGKSA-N 321.377 -0.601 30 20 DBED CN(C(=O)c1cc[nH]n1)[C@H]1CN(c2ccc(C#N)nc2)C[C@@H]1O 1065568847 OCDSUGFMNJDMMD-KBPBESRZSA-N 312.333 -0.002 30 20 DBED C#CCCCC(=O)N[C@H]1CCCN(C(=O)[C@@H]2CNC(=O)N2)CC1 1066100003 AHGGISQQVPHWNE-STQMWFEESA-N 320.393 -0.031 30 20 DBED C[C@H]1CN(C(=O)C2=COCCO2)C[C@H]1N=c1cc[nH]c(C#N)n1 1067039284 DVRLHUNTKATFJZ-WDEREUQCSA-N 315.333 -0.083 30 20 DBED CSCC(=O)N1CCC(O)(CN=c2cc[nH]c(C#N)n2)CC1 1067464145 KZVFWTPZGARGTQ-UHFFFAOYSA-N 321.406 -0.101 30 20 DBED N#Cc1cnccc1N1C[C@@H](O)[C@H](CNC(=O)c2cncnc2)C1 1067665275 LWCRIQGQMOTABT-UKRRQHHQSA-N 324.344 -0.030 30 20 DBED Cc1nc(N[C@@H](C)[C@@H]2CN(C(=O)C(N)=O)CCO2)ccc1C#N 1068244386 VKXGZIXCENNECC-JQWIXIFHSA-N 317.349 -0.225 30 20 DBED C=CCCC(=O)N1CCOC2(C1)CN(C(=O)CN(C)C(C)=O)C2 1068344257 LMNSDDNHKOPRSD-UHFFFAOYSA-N 323.393 -0.129 30 20 DBED C=CCOCC(=O)N1CCOC2(C1)CN(C(=O)[C@H]1CCCO1)C2 1068355092 HVUGBHDQNNHOEW-CYBMUJFWSA-N 324.377 -0.192 30 20 DBED C=CCCC(=O)N1CC2(C[C@H](NC(=O)[C@H]3CCC(=O)N3)CO2)C1 1068763665 ZOHSYBHGEYKWCX-NWDGAFQWSA-N 321.377 -0.283 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1COC2(C1)CN(C(=O)c1cn(C)cn1)C2 1069003364 MACGMNQQOLLLQU-WDEREUQCSA-N 317.349 -0.321 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC[C@@H](NC(=O)c2ncn(C)n2)C1 1070727452 ZMTLZILYNIBLBR-NWDGAFQWSA-N 319.365 -0.426 30 20 DBED N#CCN1C[C@H]2C[C@@H]3CN(C(=O)C[C@H]4CCC(=O)N4)C[C@@]3(C1)O2 1070867175 HFGYGYSXLVCMRI-BRXULGCHSA-N 318.377 -0.520 30 20 DBED C=CCN1C[C@H]2C[C@@H]3CN(C(=O)CCn4cnnn4)C[C@@]3(C1)O2 1070871727 HAHUYWXTCUYLPZ-UMVBOHGHSA-N 318.381 -0.449 30 20 DBED Cn1nccc1C(=O)N1CCC(=O)NCCN(CC#N)CC1 1070947386 UMTIIHQWNQJBDU-UHFFFAOYSA-N 304.354 -0.792 30 20 DBED C[C@@H]1CCCN1CC(=O)N1CCC(=O)NCCN(CC#N)CC1 1070998456 CRIOWZLMYULJID-CQSZACIVSA-N 321.425 -0.355 30 20 DBED C=CCCC(=O)N1C[C@@H](NC(=O)CN2CCNC(=O)C2)[C@H](C)C1 1071778543 VWILJSFOIRQHFL-CHWSQXEVSA-N 322.409 -0.653 30 20 DBED C=C[C@](C)(O)CC(=O)NC1(C)CCN(C(=O)CC(N)=O)CC1 1072914321 DFYGKDSFMKFQEX-HNNXBMFYSA-N 311.382 -0.314 30 20 DBED C#CCN1CCC2(C1)CN(C(=O)[C@H]1CCCS(=O)(=O)C1)C2 1073025911 NFPKXTHXJUZNLS-ZDUSSCGKSA-N 310.419 -0.021 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1073709797 IJNIUZNRWNHYFQ-XUWVNRHRSA-N 322.405 -0.122 30 20 DBED N#CCN1CCO[C@@H]2CCN(C(=O)c3c[nH]c(=O)cn3)C[C@H]21 1074325009 UAUGUPBUMAIUSI-VXGBXAGGSA-N 303.322 -0.791 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H]3OCCN(CC#N)[C@@H]3C2)nn1 1074352992 AFLDHGHUFXEVMQ-ZIAGYGMSSA-N 316.365 -0.097 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](NC(=O)CNC(C)=O)C[C@H]1C 1074782118 HVAGLXSXNHZFIC-TZMCWYRMSA-N 323.393 -0.342 30 20 DBED C[C@H]1C[C@@H](NC(=O)CC(N)=O)CCN1C(=O)c1ccc(C#N)[nH]1 1074908672 ALBMGEKTYSKWHX-UWVGGRQHSA-N 317.349 -0.129 30 20 DBED C[C@@H](CCNC(=O)c1ccc(C#N)[nH]1)NC(=O)CC(=O)N(C)C 1076182846 ADHBZDPTRLFRJL-JTQLQIEISA-N 319.365 -0.011 30 20 DBED Cn1cc(C(=O)N[C@@H]2CN(CC#N)C[C@H]2O)c(-c2ccoc2)n1 1077437570 CWEREQCHTPVXAB-CHWSQXEVSA-N 315.333 -0.021 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)c2ccnc3c2ncn3C)C1 1077655670 ZGYAQDMYADIJHT-CHWSQXEVSA-N 313.361 -0.234 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)c2ccc(CNC(C)=O)o2)C1 1077848709 LXMUHYOXLUMUOX-CHWSQXEVSA-N 307.350 -0.123 30 20 DBED C[C@@H](CCNC(=O)COc1cnn(C)c1)NC(=O)[C@H](C)C#N 1078067315 LNVNJYQJUWTIIV-MNOVXSKESA-N 307.354 -0.030 30 20 DBED C#CCOCCC(=O)N[C@@H](C)CCNC(=O)[C@H]1C[C@H]1C(N)=O 1078490976 ZJKYJZAFSDSTIM-TUAOUCFPSA-N 309.366 -0.841 30 20 DBED C#CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)c2cn(C)nn2)C1 1079774686 JFIVEDLRJQAYKY-LLVKDONJSA-N 319.365 -0.474 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H]2CN(CCn3cncn3)C[C@@H]21 1083024269 IDIFTZSRPGNQTM-RWMBFGLXSA-N 304.354 -0.651 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cnn(C)c1N 1083058060 NVEZFSSPMPHITL-QWHCGFSZSA-N 303.366 -0.449 30 20 DBED C=CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CCN1CCOCC1 1083224470 AFAPDKCORPRXQG-LSDHHAIUSA-N 309.410 -0.194 30 20 DBED CCC(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1CN(CC#N)C[C@@H]1O 1083484067 TXBGSZQWZWCHFN-UPJWGTAASA-N 308.382 -0.538 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)C1 1083484122 WDXJAPMPRDLWOQ-KFWWJZLASA-N 321.421 -0.018 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@H](C)n2nnnc2C(C)(C)C)C1 1083513640 RZDYOFYIGAEAMP-TUAOUCFPSA-N 320.397 -0.674 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)c2cnc3c(c2)ncn3C)C1 1083695508 DYCVOOAJHDEJTK-KGLIPLIRSA-N 313.361 -0.234 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)c2nc(O)nc(O)c2OC)C1 1083950079 YKQCGRJMJIESSA-BDAKNGLRSA-N 324.337 -0.753 30 20 DBED C=CCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCN(C)S1(=O)=O 1085868407 OUOZSKNDPNTYAF-VXGBXAGGSA-N 301.412 -0.261 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2cnn3ncccc23)[C@H](O)C1 1090331981 PKFHWANCUDOCLJ-DGCLKSJQSA-N 300.322 -0.582 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2cn(C)nc2COC)[C@@H](O)C1 1090371569 LRIZYUCXHTWSPA-HIFRSBDPSA-N 320.393 -0.245 30 20 DBED C#CCN1CC[C@H](NC(=O)c2ccc3nnc(C)n3c2)[C@@H](O)C1 1090377332 IWKLHLWGZLZUOL-KBPBESRZSA-N 313.361 -0.164 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2ccc(C(N)=O)cn2)[C@H](O)C1 1090843778 LFXICKLTCDSJJK-GXTWGEPZSA-N 316.361 -0.631 30 20 DBED CC(C)[C@@H](O)C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1091091756 OQUPYRMODIAHRS-GBIKHYSHSA-N 305.338 -0.969 30 20 DBED CC(=O)NCC[C@H]1CN(c2ccc(C#N)nn2)CCS1(=O)=O 1091303289 BCQTUCOEEOOWFN-LBPRGKRZSA-N 323.378 -0.522 30 20 DBED CCNC(=O)CC(=O)N1CCN(c2nccnc2C#N)CC1 1093149093 WUCXISOKYFQFPT-UHFFFAOYSA-N 302.338 -0.477 30 20 DBED CC(C)(C)C(=O)NCC(=O)NCCN=c1cc[nH]c(C#N)n1 1093634001 QVIOOAWYROLHKG-UHFFFAOYSA-N 304.354 -0.539 30 20 DBED N#Cc1cnc(NCCNC(=O)c2ccc(C(N)=O)cn2)cn1 1093705124 VEUYYNCQXUYAQC-UHFFFAOYSA-N 311.305 -0.316 30 20 DBED N#CCN1CC(n2cc(CNC(=O)c3cncnc3O)nn2)C1 1094299674 KMMORIGBHLAHLW-UHFFFAOYSA-N 314.309 -0.916 30 20 DBED N#CCN1CC(N2C[C@@H](NC(=O)C3CC(F)(F)C3)CC2=O)C1 1094719475 DMIDHUNQEZXDMV-JTQLQIEISA-N 312.320 -0.043 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)c3[nH]ccc3C)CC2=O)C1 1094729708 IWCRZKIPWKPRHT-LBPRGKRZSA-N 300.362 -0.029 30 20 DBED C[C@H](CC(=O)N1CC[C@@H](Nc2cncc(C#N)n2)C1)NC(N)=O 1095062287 WMOVPRXRHGNBMG-NXEZZACHSA-N 317.353 -0.192 30 20 DBED CCCC(=O)NCC(=O)N[C@@H]1CCN(c2cnc(C#N)cn2)C1 1096327082 IZWADRLZENKRQD-LLVKDONJSA-N 316.365 -0.041 30 20 DBED CC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H]1CCS(=O)(=O)N1 1096566025 QVLRCHSIVFPQGL-VOAKCMCISA-N 311.407 -0.577 30 20 DBED N#Cc1cncc(N[C@@H](CNC(=O)Cn2cnnn2)C2CC2)n1 1096568573 ZWNBKGHJOHCYDK-NSHDSACASA-N 313.325 -0.658 30 20 DBED COC(=O)NCC(=O)N[C@H]1C[C@@H](Nc2cncc(C#N)n2)C1 1097148515 YBIUYUSSXTYVEH-DTORHVGOSA-N 304.310 -0.237 30 20 DBED C=CCNCc1cn([C@H]2CCN(C(=O)CC(=O)NC)C2)nn1 1098664448 OAILBAAQKKNFBM-LBPRGKRZSA-N 306.370 -0.537 30 20 DBED C#CCNCc1cn([C@H]2CCN(C(=O)[C@@H]3CCN(C)C3)C2)nn1 1098780747 ZARHNEPWZDEMKE-HIFRSBDPSA-N 316.409 -0.274 30 20 DBED C#CCN1C[C@@H]2CCC[C@]2(NC(=O)C2CC(=O)NC(=O)C2)C1 1099077916 ZDIORNHDIIHCEH-LRDDRELGSA-N 303.362 -0.357 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)c2conc2C)[C@H](O)C1 1099978162 AYNTVZCPOULRAZ-CHWSQXEVSA-N 322.365 -0.550 30 20 DBED CC#CCN1CC[C@H](NC(=O)CCCC(=O)NCC)[C@@H](O)C1 1100078180 DXHXGGDRAZFWRQ-KBPBESRZSA-N 309.410 -0.133 30 20 DBED CC(C)(C)CC(=O)NCC(=O)N[C@H]1CCN(CC#N)C[C@H]1O 1100119184 GEEDQGMBQCKMCR-NWDGAFQWSA-N 310.398 -0.386 30 20 DBED CNC(=O)NC(C)(C)C(=O)NCCN(C)c1cnc(C#N)cn1 1100154439 KJLFNHBAZYOEKW-UHFFFAOYSA-N 319.369 -0.392 30 20 DBED C#CCOCCC(=O)NCC1CC(NCc2nc(=O)n(C)[nH]2)C1 1100324817 HCBXFPXCACGWOX-UHFFFAOYSA-N 321.381 -0.867 30 20 DBED C[C@H](C(=O)NCCN(C)c1cncc(C#N)n1)[C@H]1CCC(=O)N1 1100334142 TWWKATGZZQYZGM-CMPLNLGQSA-N 316.365 -0.185 30 20 DBED CCNC(=O)CC(=O)NCCN(CC)c1nccnc1C#N 1100496735 BSOQUGBSGPZDBJ-UHFFFAOYSA-N 304.354 -0.183 30 20 DBED CCNC(=O)CC(=O)NCCN(CC)c1ccnc(C#N)n1 1100496787 DXPIUUUPTCABJX-UHFFFAOYSA-N 304.354 -0.183 30 20 DBED COCC#CCNC1CC(CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 1100670426 RXZNHRSIYWABSJ-CLRIEMFWSA-N 323.393 -0.847 30 20 DBED C=CCNC(=O)[C@H](C)NC1CC(CNC(=O)c2cnn(C)n2)C1 1100756948 WNWGYBJTCCVLHA-UNXYVOJBSA-N 320.397 -0.396 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H]1CCCN1c1cc(F)ncn1 1100831929 MNFBGXVKZNESFW-NSHDSACASA-N 319.340 -0.160 30 20 DBED Cc1nc(N2CC[C@@H](CNC(=O)CNC(N)=O)C2)ccc1C#N 1100927665 NPGHQWODZUHUBT-NSHDSACASA-N 316.365 -0.128 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CN(CC(=O)NC(N)=O)C[C@@]2(C)C1 1101174171 HXWFENFGWJJQCE-RBZYPMLTSA-N 307.354 -0.879 30 20 DBED C=CCN1C[C@@H]2CN(C(=O)CNS(=O)(=O)CC)C[C@]2(C)C1 1101256208 KEYULJSCLVLSDO-OCCSQVGLSA-N 315.439 -0.108 30 20 DBED C=CCOCCN1C[C@@H]2CN(C(=O)[C@@H]3CNC(=O)N3)C[C@]2(C)C1 1101343949 RVOJFTFWXLJRQV-WWGRRREGSA-N 322.409 -0.349 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CC2(CN(CCCO)C2)n2ccnc21 1101620138 CPLGZBQCDWLFKS-RYUDHWBXSA-N 303.366 -0.003 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)c2cnon2)C1 1102474022 BGIRUHKLOZONNN-GHMZBOCLSA-N 305.338 -0.883 30 20 DBED C[C@@H](CNc1cncc(C#N)n1)N(C)C(=O)CS(C)(=O)=O 1104497490 GAAYVJFUSHIGJA-VIFPVBQESA-N 311.367 -0.348 30 20 DBED CC(C)[C@@H](CNC(=O)CNC(N)=O)Nc1cnc(C#N)cn1 1105105887 GDYSWRCPJRTWNE-SNVBAGLBSA-N 305.342 -0.431 30 20 DBED CC(C)[C@@H](C(=O)N1CC(n2cc(CNCC#N)nn2)C1)N(C)C 1105264866 RIKQVYBEHAHAKO-AWEZNQCLSA-N 319.413 -0.139 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC(n2cc(CNC[C@@H](C)O)nn2)C1 1105381150 QAXWEBWTRGOABY-NEPJUHHUSA-N 323.397 -0.277 30 20 DBED CCCC(=O)NCC(=O)NC[C@H](O)CNc1ncccc1C#N 1105728590 YCBOIGWJKXSEJN-LBPRGKRZSA-N 319.365 -0.241 30 20 DBED C[C@H](C(=O)NC[C@H](O)CN=c1cc[nH]cc1C#N)n1cccn1 1105768303 XLNMSPHBVXIOJL-DGCLKSJQSA-N 314.349 -0.278 30 20 DBED Cc1c[nH]nc1C(=O)NC[C@H](O)CNc1ccc(C#N)nn1 1105825321 BOJLNVJEHFURIC-SNVBAGLBSA-N 301.310 -0.417 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)C23CCN(CC2)C3)nc1 1105918195 ZHXAYIDFMKHDDE-ZDUSSCGKSA-N 315.377 -0.062 30 20 DBED C[C@@]1(C(=O)NC/C=C/CNc2cnc(C#N)cn2)CNC(=O)C1 1107422670 UNFNOKCJJXLCIR-FAAWYNLUSA-N 314.349 -0.041 30 20 DBED CN1CC[C@@H](C(=O)NC/C=C\CNc2cnc(C#N)cn2)C1=O 1107460660 YYSHCIYPTQUJAC-DLGQBQFBSA-N 314.349 -0.089 30 20 DBED C[C@]1(C(=O)NC/C=C/CNc2nccnc2C#N)CCNC1=O 1107508720 OAGVRPFZOFWILL-XYBNCVKDSA-N 314.349 -0.041 30 20 DBED C[C@H](CN=c1cc[nH]cc1C#N)NC(=O)[C@@H]1COCCN1C 1107694282 LLWZOZOQIINNFM-RISCZKNCSA-N 303.366 -0.378 30 20 DBED COCC#CCN1CCO[C@](C)(CNC(=O)c2[nH]nnc2C)C1 1108110511 QHMGPYZEXMSPAP-OAHLLOKOSA-N 321.381 -0.416 30 20 DBED C=C(Cl)CN1CCO[C@](C)(CNC(=O)c2nnn(C)n2)C1 1108137034 WQBQORNLOAPKIK-GFCCVEGCSA-N 314.777 -0.217 30 20 DBED CN1C(=O)CCC[C@H]1C(=O)NC[C@]1(C)CN(CC#N)CCO1 1108373162 PJOHAZQKLBTTQW-SWLSCSKDSA-N 308.382 -0.272 30 20 DBED C[C@@H](CN(C)c1ccc(C#N)nn1)NC(=O)[C@@H]1CCC(=O)N1C 1109179954 XJBQFURZXDDEIM-JQWIXIFHSA-N 316.365 -0.090 30 20 DBED Cc1cc(=NCCCN(C)C(=O)CNC(N)=O)c(C#N)c[nH]1 1109374193 UXPXITMSVCQJCX-UHFFFAOYSA-N 304.354 -0.388 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cnn(C)c1 1110270973 HGWOVYFVWDHGEB-MCIONIFRSA-N 315.377 -0.495 30 20 DBED CN1CCC[C@H]1C(=O)N(CCO)CCNc1cnc(C#N)cn1 1111429673 VUCKGXWGPBREID-ZDUSSCGKSA-N 318.381 -0.325 30 20 DBED N#Cc1nc(=NCCN(CCO)C(=O)[C@@H]2CC23CC3)cc[nH]1 1111574063 MQOABSMOWFZWQF-NSHDSACASA-N 301.350 -0.197 30 20 DBED C[C@@H]1CN(C(=O)CCN(C)C)C[C@@H]1N=c1cc[nH]c(C#N)n1 1112335248 ARBLCFFCFYTZNP-NEPJUHHUSA-N 302.382 -0.019 30 20 DBED CC1(N=c2cc[nH]cc2C#N)CCN(C(=O)CNC(N)=O)CC1 1112344410 HAYAQBWXVFIKAZ-UHFFFAOYSA-N 316.365 -0.164 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(c2ccnc(C)n2)C[C@H]1O 1112702611 SWJRJUSCVQCYOX-QWHCGFSZSA-N 306.366 -0.099 30 20 DBED C[C@@H](NC(=O)Cn1cnnn1)[C@@H](C)Nc1ccc(C#N)cn1 1112906196 XRDCBAIJZKYTRL-NXEZZACHSA-N 300.326 -0.055 30 20 DBED C[C@H](Nc1cncc(C#N)n1)[C@@H](C)NC(=O)CS(C)(=O)=O 1112926926 WAAWVLBLESYYPP-DTWKUNHWSA-N 311.367 -0.302 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)[C@@H]2[C@H]3COC[C@H]32)CC1 1113226142 NBZSGPHBLUVXQD-MQYQWHSLSA-N 305.378 -0.839 30 20 DBED C=CCN1CC[C@@H](N2C[C@H]3[C@H](NC(=O)CCOC)[C@H]3C2)C1=O 1113771095 ZIHYLLAKCQNPGW-COMQUAJESA-N 307.394 -0.144 30 20 DBED C[C@@H](CNC(=O)[C@@]1(C)CNC(=O)C1)N(C)c1cnc(C#N)cn1 1113783265 DESMMYIQFGPVIJ-ZUZCIYMTSA-N 316.365 -0.185 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@H](CC)OCC)[C@H]2C1 1113976573 IQCNGQDFOZYFAK-SFDCQRBFSA-N 307.394 -0.403 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3nccc(C)n3)[C@H]2C1 1114189837 WZKLDNPXJDRJLR-IMRBUKKESA-N 313.361 -0.806 30 20 DBED CCN1C[C@@H](C(=O)N[C@H]2[C@@H]3CN(CC#CCOC)C[C@@H]32)CC1=O 1114357850 KOJQAQCLHIKOPQ-TTZDDIAXSA-N 319.405 -0.449 30 20 DBED C=CCCCN1C[C@H]2[C@H](NC(=O)CNS(=O)(=O)CC)[C@H]2C1 1114363498 DYBJGOIXAKLWPU-IMRBUKKESA-N 315.439 -0.062 30 20 DBED COCC#CCN1C[C@@H]2C(NC(=O)[C@H]3CN(C)C[C@@H](C)O3)[C@H]2C1 1114453255 KSCJLSSPVNDCCO-CBBWQLFWSA-N 321.421 -0.598 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)CCCN(C)C)[C@@H]2C1 1114745669 DCIGIANESZTIIL-BFHYXJOUSA-N 320.437 -0.488 30 20 DBED C=C(C)CN1C[C@H]2[C@H](NC(=O)[C@@H](CCC(N)=O)NC(C)=O)[C@H]2C1 1114977787 INMQODYJPHAVER-COMQUAJESA-N 322.409 -0.621 30 20 DBED C=C[C@H](COC)NC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 1116618855 FOTBKVTZQYCTLA-AIPRNEOBSA-N 308.334 -0.534 30 20 DBED COCCS(=O)(=O)CC(=O)OCC(=O)NC1(C#N)CCC1 1117329371 MPVDQNWBOYEQHK-UHFFFAOYSA-N 318.351 -0.847 30 20 DBED C#CCN(C(=O)C(=O)N1CCc2nn(C)c(=O)cc2C1)C(C)C 1120497673 JMPCHPWTPBYJEL-UHFFFAOYSA-N 316.361 -0.465 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)C[C@H]2COC(=O)C2)nc1 1121304431 XNFPQTOVRSGVKI-VXGBXAGGSA-N 318.333 -0.205 30 20 DBED Cc1nc[nH]c1C(=O)NC[C@@H](CO)Nc1cncc(C#N)n1 1121724611 RRMUXRWAPGJOHT-JTQLQIEISA-N 301.310 -0.417 30 20 DBED CCn1cc(C(=O)NC[C@@H](CO)Nc2nccnc2C#N)nn1 1121926773 FJNBTCBGUVOILA-VIFPVBQESA-N 316.325 -0.838 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CCCN(c2ccnc(C#N)n2)[C@H]1C 1123514144 OLLXICGZZXVHJL-CMPLNLGQSA-N 316.365 -0.042 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)[C@@]1(C)CCOC1 1124482114 CZVSWZYZFAXOAA-NHYWBVRUSA-N 319.365 -0.572 30 20 DBED CN(C[C@H](O)CNc1nccnc1C#N)C(=O)c1ccnnc1 1124754565 RAEQLCCRYNTVED-LLVKDONJSA-N 313.321 -0.317 30 20 DBED C=C(C)CN(CC)C(=O)[C@H](C)NCCNC(=O)c1cn(C)nn1 1126658413 PSPCFRBHGCIUDM-LBPRGKRZSA-N 322.413 -0.052 30 20 DBED C#CCN1CCn2ncc(CNC(=O)COCCN(C)C)c2C1 1128549984 YZJPAQQCWYVCGU-UHFFFAOYSA-N 319.409 -0.474 30 20 DBED C#CCN1CC[C@H](c2n[nH]cc2CNC(=O)CNC(C)=O)C1 1130338142 SQOJUEFJMDAIEC-LBPRGKRZSA-N 303.366 -0.416 30 20 DBED C[C@@H]1CC[C@@H](NC(=O)c2cocn2)CN1CC(=O)NCC#N 1131895635 KYPXZXHXZCQCGZ-GHMZBOCLSA-N 305.338 -0.103 30 20 DBED C=CCOCC(=O)N[C@@H]1CC[C@@H](C)N(CC(=O)NC(N)=O)C1 1131946821 NMBPCJODHBXASC-GHMZBOCLSA-N 312.370 -0.647 30 20 DBED C=CCN1C[C@@H](NC(=O)CNS(=O)(=O)N(C)C)CC[C@@H]1C 1132327674 SXEOVEBBRSBIQF-RYUDHWBXSA-N 318.443 -0.463 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)CC1(O)CCC1 1134307737 OICOSRUVLJEKEG-CHWSQXEVSA-N 309.410 -0.086 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cccc2nccnc12 1135684282 FBQGSUFVGTXIPC-UHFFFAOYSA-N 311.345 -0.301 30 20 DBED CNS(=O)(=O)CC(=O)N[C@H](C)C[C@H](C)NCC#CCOC 1146466338 UUHPJBYJTOMRSJ-NWDGAFQWSA-N 319.427 -0.942 30 20 DBED CN(C)CCCC(=O)N1CC2(CCN(CC(=O)NCC#N)C2)C1 1148167817 KGAQKPLOPZKWCW-UHFFFAOYSA-N 321.425 -0.498 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)c1nocc1C)C2 1148548576 YGWNMTPFQUITEL-UHFFFAOYSA-N 316.361 -0.120 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)Cc1csc(C)n1 1150301703 WTHJANVTDOLFGA-SNVBAGLBSA-N 308.407 -0.162 30 20 DBED C#CCCN1CCCO[C@@H](CNC(=O)CCN2CCOCC2)C1 1150462252 SYUZSZBZJFWVBH-INIZCTEOSA-N 323.437 -0.061 30 20 DBED C#CCN1CCC(C(=O)NCCNCc2cnnn2C)CC1 1152334572 INRUUMBXRHVSKY-UHFFFAOYSA-N 304.398 -0.634 30 20 DBED CCN(CC(=O)NC(=O)NC)[C@H](C)CNC(=O)C#CC(C)C 1153207870 VJUREZJUKHGNDA-GFCCVEGCSA-N 310.398 -0.072 30 20 DBED CNC(=O)NC(=O)[C@@H](C)NCCCNC(=O)c1c[nH]c(C#N)c1 1156852629 HXMWEGOUUVJDOF-SECBINFHSA-N 320.353 -0.560 30 20 DBED C#CCN(C)C[C@H]1CCCCN1C(=O)Cn1cnc(C(N)=O)n1 1157973788 PDCRSNUTPQYHPQ-GFCCVEGCSA-N 318.381 -0.677 30 20 DBED C=CCNC(=O)CNCCCNC(=O)CNC(=O)c1ccoc1 1158630746 NROQMSJOHNFBIP-UHFFFAOYSA-N 322.365 -0.593 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)[C@@]1(CC)CCNC1=O 1160280545 MAPGWWICUHSVGH-BLLLJJGKSA-N 324.425 -0.311 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1ccnc(C2CC2)n1 1167512988 MYKGPVWEIHRBFB-UHFFFAOYSA-N 315.377 -0.187 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)C1(C(=O)NC)CC1 1168285385 AACZLXGFYRRJEV-LLVKDONJSA-N 310.398 -0.701 30 20 DBED C=C(C)CN(CC)C(=O)CNCCCNC(=O)c1nc[nH]n1 1168731559 NTAAFADDUQHBPX-UHFFFAOYSA-N 308.386 -0.061 30 20 DBED C[C@H](C(=O)NCCCNCC(=O)NCC#N)c1cnn(C)c1 1177672032 HQSGNIYDRBGPNZ-NSHDSACASA-N 306.370 -0.741 30 20 DBED C=CCNCCCCCCNC(=O)CNS(=O)(=O)N(C)C 1179703979 YSGHKMYGOHDYKN-UHFFFAOYSA-N 320.459 -0.165 30 20 DBED C#CCCNC[C@]1(C)CN(C(=O)CN2CC(=O)NC2=O)C[C@H]1C 1182910698 LUXOTMMLVWUTLT-MLGOLLRUSA-N 320.393 -0.364 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)CCCCC(N)=O)C1 1186949356 MWINAJQCJOSBAL-QWHCGFSZSA-N 324.425 -0.087 30 20 DBED CN(CC(=O)NCC#N)[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 1189389917 MERAOLSZEHROBD-QWHCGFSZSA-N 307.398 -0.747 30 20 DBED COCC#CCN(C)[C@H]1CCN(C(=O)C[C@@H]2CCNC2=O)C1 1190634482 HDZBHLZOUFQRNY-KBPBESRZSA-N 307.394 -0.305 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)c2cscn2)C1 1191686766 JUWMOFUNWJJWAL-HOSYDEDBSA-N 322.390 -0.944 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)c2ccnc(O)c2)C1 1192164301 KRBPDVSUIBEWEM-CHWSQXEVSA-N 307.350 -0.235 30 20 DBED C#CCCCCC(=O)N[C@@H]1CN([C@H]2CCC(=O)NC2=O)C[C@H]1O 1192320920 OJRPRZOOUHNAMW-FRRDWIJNSA-N 321.377 -0.854 30 20 DBED C[C@H](C(=O)NC1CC1)N1C[C@@H](O)[C@H](NC(=O)C#CC2CC2)C1 1192826908 MACFGGKUCNSJFH-LERXQTSPSA-N 305.378 -0.772 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2ccnn2C)C[C@H]1O 1192885707 FCUPPMSPEKRHBF-ZIAGYGMSSA-N 306.366 -0.879 30 20 DBED C=CCN1CC[C@H](N2CCCN(C(=O)CC(=O)NC)CC2)C1=O 1195632618 FIINPCRICHPSPW-ZDUSSCGKSA-N 322.409 -0.556 30 20 DBED C=CCC1(C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@H]2O)CCC1 1195896998 JORUYWMOWRPTBO-CHWSQXEVSA-N 320.393 -0.466 30 20 DBED C[C@@H](C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1O)c1ccco1 1196137387 IEKOBJBIFITHFU-IJLUTSLNSA-N 320.349 -0.816 30 20 DBED O=C(CNC[C@@H]1CN(C(=O)C#CC2CC2)CCCO1)NC1CC1 1200452967 PHPLJYQPWGJFBN-OAHLLOKOSA-N 319.405 -0.115 30 20 DBED Cc1conc1C(=O)N1CCC(NCC(=O)NCC#N)CC1 1203202926 DOPMQXGXRWNDGL-UHFFFAOYSA-N 305.338 -0.183 30 20 DBED C#CCNC(=O)CN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)CCN(C)C)C2 1204696700 HKTBAQKPBFLDHC-RBSFLKMASA-N 320.437 -0.343 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)CCn2ccnc2)C1 1208849016 OIVWWBTWAWBUTM-AWEZNQCLSA-N 317.393 -0.397 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)c2nnn(C)n2)C1 1209062593 XNFJWDCOAKVJRE-GHMZBOCLSA-N 321.385 -0.905 30 20 DBED CC#CCN[C@@H]1CCCN(C(=O)[C@@H]2CN(C(C)=O)CCO2)C1 1210891786 AWLIVYCWYJRLBI-CABCVRRESA-N 307.394 -0.162 30 20 DBED C=CCCOCC(=O)N1CCC[C@H](NCc2nc(=O)n(C)[nH]2)C1 1211355819 XIPCDURLMAXZDH-LBPRGKRZSA-N 323.397 -0.218 30 20 DBED Cc1[nH]nc(C(=O)N2C[C@@H](NCC(=O)NCC#N)[C@H](C)C2)c1O 1214443844 LJLMENHZBSGIED-PSASIEDQSA-N 320.353 -0.886 30 20 DBED C=C1CC(C)(C(=O)N2C[C@@H](NCC(=O)NC(N)=O)[C@H](C)C2)C1 1215497722 AQLQYRGJYJTMLA-GHMZBOCLSA-N 308.382 -0.026 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)C1CC(C)C1 1217620773 STLDYLRJOBMHLP-PFSRBDOWSA-N 319.405 -0.307 30 20 DBED C[C@@H](O)CCCN1C[C@H](O)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 1219469524 QFSIENUYXDIIQG-HONMWMINSA-N 306.366 -0.178 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)CNC(=O)C2CCCC2)C1 1219677067 NRJHTSNOAISJQY-KGLIPLIRSA-N 307.394 -0.523 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)CCc2cncc(OC)c2)C1 1219975456 KRYJUARFPRFLQG-CABCVRRESA-N 303.362 -0.183 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1CCN(CC(=O)NCC#N)CC1 1222975888 YIOOWBZCQHRRBO-INIZCTEOSA-N 322.409 -0.219 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC(CNC(=O)[C@H](O)C(C)C)CC1 1223091250 ZKVHFGNJCQXTIZ-DZGCQCFKSA-N 323.437 -0.031 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCC(NC(=O)c2cnon2)CC1 1229671306 ZSQGZEKFKSFYOB-SNVBAGLBSA-N 307.354 -0.046 30 20 DBED C=CCOCC(=O)NCC[C@H]1CN(CC)CCS1(=O)=O 1230437194 WPIDDZSPOVRMMN-LBPRGKRZSA-N 304.412 -0.186 30 20 DBED N#CCN(CCCNC(=O)Cn1ncnn1)Cc1cccnc1 1230763443 ZOZLXADFFCZFAS-UHFFFAOYSA-N 314.353 -0.400 30 20 DBED CC(=O)N1CCN(C(=O)C(=O)N2CC[C@](F)(C#N)C2)[C@@H](C)C1 1261328422 GBKCFJBYEKKHQQ-HZMBPMFUSA-N 310.329 -0.470 30 20 DBED C=C[C@@H](COC)NS(=O)(=O)N1CCC2(CC1)OCCO2 1320295018 TZUSKQQWEWVEJC-NSHDSACASA-N 306.384 -0.139 30 20 DBED C=CCCOCCNC(=O)C(=O)NCc1nnnn1C1CC1 1329380270 MEXKWQIJRPMZSJ-UHFFFAOYSA-N 308.342 -0.667 30 20 DBED N#CCCN(CCN1CCOCC1)C(=O)Cc1nnc(N)s1 1362087745 CVQXOHHKONDVRR-UHFFFAOYSA-N 324.410 -0.263 30 20 DBED C[C@@H]1CN(C(=O)Cn2cc(C#N)c(O)nc2=O)CC[S@](=O)C1 1362921444 GAWPEZHAEMHQMK-CLTRCRFRSA-N 324.362 -0.952 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)NCc2nccnc2Cl)CCO1 1363983279 UNEOCYHSZRYZTM-MRVPVSSYSA-N 317.758 -0.311 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)COc1ccccc1F 1376614373 MTJFQTRYPUFQIU-GHMZBOCLSA-N 323.324 -0.043 30 20 DBED C[C@@H](CNC(=O)CCn1ncn(C)c1=O)N(C)C(=O)[C@H](C)C#N 1380833466 VGWYCYAHSKXAMT-MNOVXSKESA-N 322.369 -0.905 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)CCc2ccncc2)C1 1384022709 SAXLVLPVJUWTNW-IACUBPJLSA-N 316.361 -0.138 30 20 DBED C[C@H](C#N)C(=O)NCCN(C)C(=O)[C@H]1CCCS(=O)(=O)C1 1387084116 XQIMNTKOQJFQOK-MNOVXSKESA-N 315.395 -0.455 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](C)CNC(=O)CCn1cnccc1=O 1400067509 GJRGGBFSEPDRMY-WDEREUQCSA-N 305.338 -0.586 30 20 DBED C[C@H](CNC(=O)c1cc(C#N)c[nH]1)N(C)C(=O)c1cn(C)nn1 1404342322 QGQINUADGVPUKB-SECBINFHSA-N 315.337 -0.095 30 20 DBED C[C@H](CNC(=O)c1cnn[nH]1)N(C)C(=O)c1ccc(C#N)[nH]1 1404407156 UACYDRYHMWJCDR-MRVPVSSYSA-N 301.310 -0.105 30 20 DBED C[C@]1(CNC(=O)Cn2cc(C#N)c(O)nc2=O)CCCC[C@H]1O 1411857618 ODIPKTXIIISOLH-IAQYHMDHSA-N 320.349 -0.122 30 20 DBED CCCN1CC[C@H](NC(=O)CCn2cc(C#N)c(O)nc2=O)C1 1418554747 IOGPWIIEILIXHB-LBPRGKRZSA-N 319.365 -0.189 30 20 DBED COCCn1cc(C(=O)N2CC[C@H](NC(=O)[C@H](C)C#N)C2)nn1 1427802634 JWDSCHCWMOUFBS-MNOVXSKESA-N 320.353 -0.585 30 20 DBED CC(=O)NCC(=O)N1CCC[C@H]1C(=O)Nc1n[nH]c(C)c1C#N 1434187415 BKCHIZUBCGLOGS-NSHDSACASA-N 318.337 -0.345 30 20 DBED CN(C[C@@H](O)CNC(=O)c1cc[nH]n1)C(=O)c1cc(C#N)c[nH]1 1444613357 JLVSPQKSIDSRPP-JTQLQIEISA-N 316.321 -0.528 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1ncoc1C1CC1 1452405421 HSFBKGJHFHQTCT-PSASIEDQSA-N 306.322 -0.081 30 20 DBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCOCN1 1455951070 KSBRRFSPVOMWCL-JTQLQIEISA-N 324.362 -0.454 30 20 DBED C=CCNC(=O)[C@H](C)N1CC[C@H](NC(=O)C2(C(=O)NC)CC2)C1 1490567591 WAAGDMPWOIVIHQ-RYUDHWBXSA-N 322.409 -0.606 30 20 DBED CCN1C[C@@H](C(=O)NC2(CNC(=O)[C@H](C)C#N)CC2)CC1=O 1506192780 PEACARQEDVMNMJ-MNOVXSKESA-N 306.366 -0.221 30 20 DBED CCN(CCC#N)C(=O)CN[C@H](C)CN(C)C(=O)c1cnn[nH]1 1507095030 JCUYUXOVCBCJJP-LLVKDONJSA-N 321.385 -0.383 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)CCC1CCOCC1 1533259251 OLPZFFOOJCGQLN-DGCLKSJQSA-N 311.382 -0.054 30 20 DBED C=CCCCN[C@H](CO)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 1573335197 OFRZVSOGHNILPA-JTQLQIEISA-N 319.369 -0.159 30 20 DBED N#Cc1ccc(NCCNS(=O)(=O)C[C@@H]2CCNC2)nc1 1574249889 NUJOKSOZGNWCBT-GFCCVEGCSA-N 309.395 -0.106 30 20 DBED C[C@@H](CN(C)c1cncc(-c2nn[nH]n2)n1)NC(=O)[C@H](C)C#N 1574811265 MTGJHDLMAWGOQP-BDAKNGLRSA-N 315.341 -0.243 30 20 DBED CC#CCN1CCO[C@@H](CNC(=O)CCOCc2cnn[nH]2)C1 1575123673 URPUTWBAIGKJHD-AWEZNQCLSA-N 321.381 -0.448 30 20 DBED C#CCNC(=O)[C@@H](C)OC(=O)c1cc(O)cc(-c2nn[nH]n2)c1 1588353437 SBGIBBYQHYZBRO-MRVPVSSYSA-N 315.289 -0.133 30 20 DBED C#CC[C@H](COC)NC(=O)C(=O)Nc1c(C(=O)O)cnn1C 1588395315 SGGNQVOTCOQJNG-MRVPVSSYSA-N 308.294 -0.789 30 20 DBED C[C@H](C(=O)N(C)C1(C#N)CCC1)n1cnc(-c2nn[nH]n2)n1 1588936018 DMJDJSYKKBCWNY-MRVPVSSYSA-N 301.314 -0.076 30 20 DBED CN1C(=O)CC[C@H](Nc2cnc(C#N)c(-c3nn[nH]n3)n2)C1=O 1591163468 KSXXRFHXYOMNJZ-LURJTMIESA-N 313.281 -0.912 30 20 DBED C[C@]1(C#N)CCCN(C(=O)C(=O)N2C[C@@H](C(=O)O)C[C@@H](O)C2)C1 1593740800 VTOVMRLJOVGTBP-FIXISWKDSA-N 323.349 -0.567 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N1C[C@@H](C(=O)O)O[C@H](C)C1 1596230984 FKKBXBNTYBRWCB-MXWKQRLJSA-N 319.383 -0.113 30 20 DBED N#CCCN(CCC#N)C(=O)CN1CCC[C@@H](O)[C@H]1C(=O)O 1601067209 SNAFHJNKDBXXMD-YPMHNXCESA-N 308.338 -0.448 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@H](CO)Nc1ncc(C(=O)O)cn1 1602809206 CEZITKCNPDZEOW-YGRLFVJLSA-N 324.337 -0.609 30 20 DBED C[C@@](C#N)(NC(=O)Cn1cncc(-c2nn[nH]n2)c1=O)C1CC1 1602981557 HYVLBSCJJCNCOP-ZDUSSCGKSA-N 314.309 -0.768 30 20 DBED C[C@@]1(C(=O)O)CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)C1 1604498187 KBMICCAEAYLGAV-CQSZACIVSA-N 320.305 -0.466 30 20 DBED Cn1nc(C2CC2)nc1Cn1c(N)nc(-c2nn[nH]n2)c1C#N 1606268736 ULAYVIXFHPDEHD-UHFFFAOYSA-N 311.313 -0.429 30 20 DBED COC(=O)[C@@H]1CC[C@@H](C(=O)O)CN1S(=O)(=O)CCCC#N 1606387362 JDMMETYDXSADND-ZJUUUORDSA-N 318.351 -0.042 30 20 DBED CC[C@H](CC#N)NC(=O)C1CCN(S(=O)(=O)NC)CC1 1645768736 WJBKBZJACQFCBH-LLVKDONJSA-N 302.400 -0.029 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@@H](NC(=O)c2cn(C)cn2)C1 1713081947 QKJQMNPHHSVOFS-NWDGAFQWSA-N 303.366 -0.638 30 20 DBED CC(C)C#CC(=O)N[C@H]1CCN(CC(=O)NC[C@@H]2CCOC2)C1 1732152408 VCOLDWAAORERDC-GJZGRUSLSA-N 321.421 -0.011 30 20 DBED C#CCCN1CCN(CCNC(=O)CO[C@@H]2CCOC2)CC1 1752365941 MPKHUCBWCYRSID-OAHLLOKOSA-N 309.410 -0.451 30 20 DBED C#CCNC(=O)CNC[C@@H]1CCCN(C(=O)C2(COC)CC2)C1 1752802644 LOTJFGSAZSBQEB-AWEZNQCLSA-N 321.421 -0.009 30 20 DBED C#CCNC(=O)CN1CCCC[C@H]1CNC(=O)Cc1cnc[nH]1 1752823400 ZLZYMANUZJEZDR-AWEZNQCLSA-N 317.393 -0.328 30 20 DBED Cc1nccc(CCC(=O)NCCN(C)CC(=O)NCC#N)n1 1753058412 PQVIQRRJBFKXLX-UHFFFAOYSA-N 318.381 -0.595 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)N(C)[C@H]1CCN(CC(N)=O)C1 1753445467 MPIXZKDRLBBWTC-STQMWFEESA-N 310.398 -0.525 30 20 DBED C#CCNC(=O)CNC[C@@H](C)CNC(=O)[C@H]1CCCOCC1 1753610859 LENAEIGTPCDZCF-KGLIPLIRSA-N 309.410 -0.106 30 20 DBED C#CCNC(=O)CNCC1(O)CCN(C(=O)[C@H]2CC23CC3)CC1 1755153896 UTOGUHBERPJZCM-CYBMUJFWSA-N 319.405 -0.521 30 20 DBED C#CCNC(=O)CN(C)C[C@H]1CCCN1C(=O)CN(C)C(C)C 1755203111 QULWICOEXVGEFC-OAHLLOKOSA-N 322.453 -0.001 30 20 DBED C[C@@H](CCCNCC(=O)NCC#N)NC(=O)[C@@H]1CCCNC1=O 1755502842 XRAZZUZOOFFGST-NWDGAFQWSA-N 323.397 -0.973 30 20 DBED COCC#CCN(C)C1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 1755532827 YIEKHIPRIGHGHR-ZDUSSCGKSA-N 308.382 -0.760 30 20 DBED C=CCN[C@@H](CO)CNC(=O)c1ccc(CNC(N)=O)cc1 1755645665 FEIHBCFUZOXZBY-CYBMUJFWSA-N 306.366 -0.279 30 20 DBED C=C(Cl)CNC[C@@H](O)CN(C)C(=O)C1(C(=O)NC)CC1 1755791816 OTUVTCLRQXDMGQ-SNVBAGLBSA-N 303.790 -0.326 30 20 DBED C#CCN(C)C[C@H](O)CN(C)C(=O)c1ccc(C(N)=O)s1 1755807998 ZIFKCHIHKHIUJB-JTQLQIEISA-N 309.391 -0.155 30 20 DBED CN(CCOCCNCC#N)C(=O)[C@@H]1CCc2nnn(C)c2C1 1755876875 VJDYOPVULGHOSE-GFCCVEGCSA-N 320.397 -0.492 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@H](O)CN(C)C(=O)c1ccn(C)n1 1756663984 WWSADPMHYILRAF-NHYWBVRUSA-N 324.381 -0.704 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)C2CC(OC)C2)C[C@@H]1O 1757161865 NTBMPEOFWYYXOT-TUUUFIMRSA-N 312.366 -0.698 30 20 DBED N#Cc1ccc(OC2CN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C2)cc1 1771795070 FRMUOTVBOUXSRN-LBPRGKRZSA-N 314.301 -0.254 30 20 DBED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCNC(C)=O)[C@H]2C1 1790873169 LJIWQUOBWZGYPM-IHRRRGAJSA-N 321.377 -0.875 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)N(C)C(C)=O 1796457991 OJIXHTJAPFYHBR-IKVITTDRSA-N 321.377 -0.924 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccnnc1)C2 1800451198 QLGPLUNCKJHAJW-DABQJJPHSA-N 300.318 -0.687 30 20 DBED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)COC)CCO2 1834977646 RXDFBRJULPPNTO-INIZCTEOSA-N 324.377 -0.497 30 20 DBED C[C@@H]1[C@@H](C)[S@@](=O)CCN1c1c(C#N)c(=O)n(C)c(=O)n1C 265669817 ZBBNXFSIVJVWAC-FQJNGZCASA-N 310.379 -0.699 30 20 DBED C#CCOc1cccc(NC(=O)C(=O)N[C@@H]2CCN(C)C2=O)c1 265721974 SMHXHLGAEMOQHF-CYBMUJFWSA-N 315.329 -0.016 30 20 DBED C[C@H](O)CN(C(=O)C(=O)NCc1cccc(C#N)c1)[C@H](C)CO 283898120 HSUYIXYZXFUATB-NEPJUHHUSA-N 319.361 -0.235 30 20 DBED C=C[C@@H](CO)NC(=O)NCc1ccc(S(N)(=O)=O)c(C)c1 291612426 RGEATAJUWMTTCI-NSHDSACASA-N 313.379 -0.011 30 20 DBED C#CCN(CC)C(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 299154824 VEYAQYSVZMSXGI-RYUDHWBXSA-N 312.391 -0.496 30 20 DBED C[C@H](/C(O)=N/C1CC1)N1CCN(Cc2nc(=O)n(C)[nH]2)CC1 329621357 UIVNYEKMKMBTGB-SNVBAGLBSA-N 308.386 -0.267 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N[C@H](CO)c1cnn(C)c1 330372203 JZIBEZZIMSFLTP-GXSJLCMTSA-N 301.372 -0.621 30 20 DBED COCCN1CN(S(=O)(=O)N(C)[C@H](C)CC#N)CC1=O 330426149 VUIHRUGJFBDZEE-SNVBAGLBSA-N 304.372 -0.787 30 20 DBED CCC/N=C(/O)NC(=O)CN1CCN(Cc2cnn(C)c2)CC1 330656849 NWECSOYCPJEBMY-UHFFFAOYSA-N 322.413 -0.022 30 20 DBED COC[C@H](C)/N=C(/O)NC(=O)CN1CCS(=O)(=O)C[C@@H]1C 330867843 VWODAZUGWNFBBQ-UWVGGRQHSA-N 321.399 -0.830 30 20 DBED CCS(=O)(=O)NCCC/N=C(/O)N[C@@H]1CCC(=O)N(C)C1 330883759 KDFWUXBTDRUEGG-SNVBAGLBSA-N 320.415 -0.560 30 20 DBED CC(C)(C)N1C[C@@H](N/C(O)=N/CCNS(C)(=O)=O)CC1=O 331204795 XGHQNWUTPGTLJL-VIFPVBQESA-N 320.415 -0.561 30 20 DBED C[C@@](C#N)(NC(=O)CN1CC[C@H](S(N)(=O)=O)C1)C1CC1 331703257 XFXCRVWKCAKDKC-JQWIXIFHSA-N 300.384 -0.842 30 20 DBED CCS(=O)(=O)C[C@@H](C)NS(=O)(=O)N(C)C[C@H](C)C#N 332501252 IWNAXAHRNJXHDA-NXEZZACHSA-N 311.429 -0.265 30 20 DBED CCOCCN1CCN(S(=O)(=O)N(C)C[C@@H](C)C#N)CC1 337055967 CDDJTIWTBHQECR-ZDUSSCGKSA-N 318.443 -0.023 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)NC[C@H]2CCCC[C@@H]2O)CCO1 337073283 QBBCEYJWBQSYNQ-UTUOFQBUSA-N 303.384 -0.404 30 20 DBED Cn1c(=O)n(CCC(=O)NCC(=O)NCC#N)c2ccccc21 343541463 GUHONWUEYVBLJD-UHFFFAOYSA-N 315.333 -0.514 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC[C@@]2(C)CCCO2)C1=O 347160900 IJMNGAYIQXFMGY-MLGOLLRUSA-N 323.393 -0.083 30 20 DBED CC1(C)CCN(S(=O)(=O)CCCS(=O)(=O)NCC#N)C1 349524765 OMZWHNJUBZWEFN-UHFFFAOYSA-N 323.440 -0.119 30 20 DBED C=CCN1CC[C@@H](N(C)S(=O)(=O)CCC(=O)OCC)C1=O 351983383 SIWSGECWVTXKFS-LLVKDONJSA-N 318.395 -0.012 30 20 DBED C=CCSCCNC(=O)C(=O)N1CCC[C@H]2C(=O)NC[C@@H]21 355294967 YBHHVZHXQMFMNN-MNOVXSKESA-N 311.407 -0.241 30 20 DBED CC[C@H](NC(=O)c1cnn(C)c1C#N)C(=O)N1CCOCC1 356310900 ZXXYIRRIQABNNQ-NSHDSACASA-N 305.338 -0.341 30 20 DBED N#CCNC(=O)CNC(=O)NCCNc1ccccc1[N+](=O)[O-] 358307233 FYXLKRZHMSUGEC-UHFFFAOYSA-N 320.309 -0.054 30 20 DBED N#Cc1ccc(NCC(=O)N2CCC[C@H](OCCO)C2)nc1 444533073 XRRVKNKAZCOJQP-ZDUSSCGKSA-N 304.350 0.365 30 20 DBED C#C[C@H](CCC)NC(=O)N=c1nc(CS(C)(=O)=O)[nH]o1 491095917 NPQRDYBTCXWHHZ-MRVPVSSYSA-N 300.340 -0.041 30 20 DBED C#CCNC(=O)C1CCN(S(=O)(=O)C[C@H](C)OC)CC1 491103540 PNHJUTTZBNFHJA-NSHDSACASA-N 302.396 -0.188 30 20 DBED Cn1c(N[C@@H]2C[C@@H]3CCCCN3C2=O)c(C#N)c(=O)n(C)c1=O 519528030 XPYNEAWCKPUYCY-GXSJLCMTSA-N 317.349 -0.479 30 20 DBED N#CC1(NS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 533690711 NLWCGQJIIVHWPL-UHFFFAOYSA-N 301.349 -0.332 30 20 DBED COCCN1C[C@H](C(=O)NC2(C#N)CCN(C)CC2)CC1=O 540104188 UZAGERGRROBZCM-GFCCVEGCSA-N 308.382 -0.415 30 20 DBED Cc1cc(NC(=O)CN2CCN(C)C(=O)C2)n(CCC#N)n1 548686526 VVJBNBHGXIBYFB-UHFFFAOYSA-N 304.354 -0.182 30 20 DBED CC1(NS(=O)(=O)CCCS(=O)(=O)NCC#N)CCC1 564469404 DWAMWTZHFKRADF-UHFFFAOYSA-N 309.413 -0.319 30 20 DBED C=CCc1ccccc1OC[C@H](O)CN[C@@H](CO)C(=O)NC 578749200 VSCMWLJDXRKNTJ-KGLIPLIRSA-N 308.378 -0.149 30 20 DBED N#CCCN(CCC#N)C(=O)CN1CCC[C@]12CCNC2=O 580446339 IOGRZGBOGBIBAZ-OAHLLOKOSA-N 303.366 -0.003 30 20 DBED COC(=O)c1cn(CCNC(=O)N2CC[C@@](F)(C#N)C2)nn1 585746692 QDOCLBODMPNQFA-GFCCVEGCSA-N 310.289 -0.288 30 20 DBED CN1CCN(C)[C@H](CNC(=O)N2CCN(CCC#N)CC2)C1 601572928 WHZWOPGTCOCMOG-CQSZACIVSA-N 308.430 -0.527 30 20 DBED C=C[C@@](C)(O)C(=O)NCC(CNC(=O)[C@](C)(O)C=C)OCC 613394725 HXRMQXANEFEBLW-HUUCEWRRSA-N 314.382 -0.502 30 20 DBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N(C)CCOCCN 627290683 XQWZKGSPBGVHOT-STQMWFEESA-N 313.398 -0.483 30 20 DBED C=CCC[C@H](CO)NC(=O)NC1CC(NS(C)(=O)=O)C1 655897823 CTEQPKXSPHWJRZ-KPPDAEKUSA-N 305.400 -0.307 30 20 DBED C=CCN(CCOC)C(=O)C(=O)NCC1(OC)CCOCC1 672994703 AZLDVNKJNVBNRL-UHFFFAOYSA-N 314.382 -0.041 30 20 DBED CCS(=O)(=O)N1CCC[C@@H](C(=O)OCC(=O)NCC#N)C1 731242750 MGMXDEUJJMXQJJ-SNVBAGLBSA-N 317.367 -0.769 30 20 DBED C#CCNC(=O)[C@@H](C)OC(=O)c1cnc2ncnn2c1CC 744707510 ZTXHWKWNENANCA-SECBINFHSA-N 301.306 -0.019 30 20 DBED CN(CC(C)(CO)CO)c1cccc(S(N)(=O)=O)c1C#N 755027211 QELLDMGOXVFHCY-UHFFFAOYSA-N 313.379 -0.367 30 20 DBED C[C@H](OC(=O)CCS(=O)(=O)N(C)C)C(=O)N(C)CCC#N 772273627 DQAMMGUUQCNERB-JTQLQIEISA-N 319.383 -0.428 30 20 DBED N#Cc1ccc(CS(=O)(=O)CC(=O)Nn2cnnc2O)cc1 777767078 BIBFQAKVVXZTES-UHFFFAOYSA-N 321.318 -0.460 30 20 DBED C#C[C@H](C)NC(=O)C(=O)Nc1cc(-n2cnnn2)ccc1F 784850397 VAKTWUGQWCGPHI-QMMMGPOBSA-N 302.269 -0.122 30 20 DBED C#CCOCCNC(=O)C(=O)Nc1ccccc1-n1cncn1 785165702 WTZNGMJQPVCBCI-UHFFFAOYSA-N 313.317 -0.028 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)NC1CCN(OC)CC1 829699461 UOKGMYQBIDRAMN-UHFFFAOYSA-N 311.382 -0.373 30 20 DBED N#C[C@H]1CNC[C@@H]1NC(=O)CCn1nnc2ccccc2c1=O 834510289 AACOHDLROSBRTE-GWCFXTLKSA-N 312.333 -0.591 30 20 DBED C=C[C@H](O)C(=O)NCCc1csc(NC(=O)[C@@H](O)C=C)n1 834659917 ITNXLUDUDVRPFW-UWVGGRQHSA-N 311.363 -0.166 30 20 DBED C[C@@H]1CC(=NC(=O)[C@H](CO)NC(=O)c2cccc(F)n2)NO1 845899744 JXUVMHCKEANNMH-APPZFPTMSA-N 310.285 -0.450 30 20 DBED C=C[C@@H](C)ONC(=O)C(=O)Nc1cnn(CC(=O)OC)c1C 846155108 DTJYWPSWLFBLGJ-MRVPVSSYSA-N 310.310 -0.075 30 20 DBED C#CCNC(=O)CN1CCN(c2cc(Cl)nc(O)n2)CC1 858390558 JETGDLJTBIDQLV-UHFFFAOYSA-N 309.757 -0.293 30 20 DBED C#CC[C@@H](CO)NS(=O)(=O)c1cc(C(=O)OCC)n(C)c1 882342126 XTCJADUEAMWADR-JTQLQIEISA-N 314.363 -0.136 30 20 DBED C#CCN1CCC[C@@H](NS(=O)(=O)C[C@@H](C)C(=O)OC)C1 885511962 PVRUFCOMYPSLDS-VXGBXAGGSA-N 302.396 -0.188 30 20 DBED COC(=O)c1c[nH]nc1S(=O)(=O)Nc1nn(C)c(C)c1C#N 912563308 XIRRTNRRMLASBM-UHFFFAOYSA-N 324.322 -0.089 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N[C@@H]1COCCC1(OC)OC 931666138 DSUFCQBIDGAIKQ-WDEREUQCSA-N 315.370 -0.246 30 20 DBED Cc1ccnc(C(=O)NC[C@H]2CN(C(=O)[C@H](C)C#N)CCO2)n1 944567578 GZOIMVHQYVVZDZ-PWSUYJOCSA-N 317.349 -0.098 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H]2C[C@H]1[C@H]2NC(=O)Cn1cnnn1 946650255 PTILMTNBGLNQDO-SCVCMEIPSA-N 304.354 -0.399 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](NC(=O)Cn2cncn2)[C@H](OC)C1 946841529 VCBVTSLWKUIPRN-VXGBXAGGSA-N 321.381 -0.168 30 20 DBED N#CCN1CCOC2(CCN(C(=O)Cn3cncn3)CC2)C1 949523348 NTTYIUYFUQHSGD-UHFFFAOYSA-N 304.354 -0.505 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@@H](CNC(=O)c2cnn(C)c2N)C1 958001118 ZBZGZNZETDRGDU-GXSJLCMTSA-N 313.789 -0.223 30 20 DBED C=CCN1C[C@@H](O)[C@H](CNC(=O)c2cn(CCOC)nn2)C1 958061848 CVUCBDBTCIRGHW-DGCLKSJQSA-N 309.370 -0.867 30 20 DBED C=CCN1C[C@H](O)[C@H](CNC(=O)c2cnn3c(=O)cc[nH]c23)C1 958467231 GTUWWKLUHSNIDO-PWSUYJOCSA-N 317.349 -0.769 30 20 DBED C=C(C)CN1C[C@H](CNC(=O)C2CCN(C(N)=O)CC2)[C@@H](O)C1 958657052 BXNWJWXBZMGTHX-KBPBESRZSA-N 324.425 -0.238 30 20 DBED N#CCN1C[C@H](CNC(=O)c2ncc3n2CCCC3)[C@@H](O)C1 958712898 CILZFPMQNVZAMI-AAEUAGOBSA-N 303.366 -0.235 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cc2cnoc2)C1 958930724 YTTRTTAQHIYWOH-USWWRNFRSA-N 306.322 -0.593 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CN(C(=O)Cn3cnnc3O)C[C@H]2C1 961412975 RACJBAJJFDYNFN-MXWKQRLJSA-N 318.337 -0.940 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)C[C@@H]3CCNC3=O)C[C@@H]2C1 961698747 KBYGIBLPTXIESR-ZDEQEGDKSA-N 318.377 -0.411 30 20 DBED Cc1cnc(C(=O)NC[C@H]2COCCN2C(=O)[C@H](C)C#N)cn1 964085162 WNJFQUOIVWRKPU-PWSUYJOCSA-N 317.349 -0.098 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](NC(=O)c2nnn(C)n2)C(C)(C)C1 967096967 AFLJRWVWEUAHJK-ZJUUUORDSA-N 319.369 -0.273 30 20 DBED C[C@@H](C#N)C(=O)N1CC(N2CCN(C(=O)c3ccon3)CC2)C1 967186380 CLPUMXABTGHSGO-NSHDSACASA-N 317.349 -0.197 30 20 DBED C#CCCN1CCCCC[C@@H]1CNC(=O)[C@@H]1CC(=O)NC(=O)N1 969053907 NWFQTIVUPSWCMY-OLZOCXBDSA-N 320.393 -0.031 30 20 DBED C=CCN1CC([C@H](C)NC(=O)[C@H]2CCN(C)S2(=O)=O)C1 970569283 OAJKBRPERXUPEO-CMPLNLGQSA-N 301.412 -0.357 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)CO[C@H]3CCOC3)C2)C1 972378343 QTRQGJQWBJKFBA-HOCLYGCPSA-N 308.378 -0.272 30 20 DBED CC[C@@H](C(N)=O)N1CCO[C@@]2(CCN(C(=O)C#CC3CC3)C2)C1 972381017 KXCYWXLJEUGDCV-YOEHRIQHSA-N 319.405 -0.033 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H](N(C)[C@H](CC)C(N)=O)C2)nn1 972501648 PZMBMXROAMLJKA-WCQYABFASA-N 320.397 -0.126 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)c3nccnc3N)C[C@H]21 974975087 PADQZHPMJAGFRJ-GMTAPVOTSA-N 314.349 -0.109 30 20 DBED C#Cc1cncc(C(=O)N2C[C@H]3CCN(C(=O)C(N)=O)C[C@H]32)c1 975069774 MLQPGZGCRJCAFF-DGCLKSJQSA-N 312.329 -0.779 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)[C@H]3CCNC(=O)CC3)[C@H]2C1 976872517 LKUVUHCDJXZZJV-SVPLCASGSA-N 318.377 -0.365 30 20 DBED C#CCN[C@H]1CCN(C(=O)CN2C(=O)NC(=O)C2(C)C)[C@H]1C 987314742 DZJKXQVITXMLTH-QWRGUYRKSA-N 306.366 -0.471 30 20 DBED C#Cc1ccc(C(=O)N2CC(NC(=O)c3ccc(O)nn3)C2)nc1 990154002 PJEUNUQSYPWKCR-UHFFFAOYSA-N 323.312 -0.187 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)c2nccnc2N)C1 990549784 GSMPCAFFRMKNLL-MNOVXSKESA-N 317.349 -0.410 30 20 DBED C#CCCN1CCC[C@H](NC(=O)CN2CCC(=O)NC2=O)[C@H]1C 994168630 PUQHQYVGFGAHHA-OLZOCXBDSA-N 320.393 -0.079 30 20 DBED CN(C)C(=O)Cn1cc(C(=O)N(C)C2CC(NCC#N)C2)nn1 999878022 XNERBPYCCUUCOD-UHFFFAOYSA-N 319.369 -0.918 30 20 DBED C=CCOc1cccnc1C(=O)NC1CN(C(=O)C(N)=O)C1 1000199759 UHFPRMUMDKOENQ-UHFFFAOYSA-N 304.306 -0.928 30 20 DBED C#Cc1cncc(C(=O)N2CC(CNC(=O)c3cnnn3C)C2)c1 1001673998 MAEKLRIXYIBUAP-UHFFFAOYSA-N 324.344 -0.307 30 20 DBED C#CCCN1CCC(CNC(=O)c2cn(CC(N)=O)nn2)CC1 1002160338 WQZDQNSKUAFXPK-UHFFFAOYSA-N 318.381 -0.772 30 20 DBED C[C@@]1(C(=O)N2CCN(C(=O)C#CC3CC3)CC2)CCC(=O)N1 1011109973 HOXSOWQTOTUBMD-INIZCTEOSA-N 303.362 -0.261 30 20 DBED COCC(=O)N1CCC[C@H](C(=O)N2CCN(CC#N)CC2)C1 1018357459 DTUQHVSTXOTQFF-ZDUSSCGKSA-N 308.382 -0.461 30 20 DBED NC(=O)CC(=O)N1CC[C@H]2OCCN(C(=O)C#CC3CC3)[C@@H]2C1 1019864658 TXOJPUPOXZRNNZ-CHWSQXEVSA-N 319.361 -0.897 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H]2CCN(C(=O)[C@H]3CNC(=O)N3)[C@@H]2C1 1022549078 TUJPCMMNYCTALC-QJPTWQEYSA-N 320.393 -0.061 30 20 DBED Cc1nnsc1C(=O)N[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1O 1023026942 LFJNDIMMLPIRIF-FTLITQJKSA-N 309.351 -0.692 30 20 DBED CS[C@H](C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 1023327521 PEVIRRNPDAODJS-GGZOMVNGSA-N 322.390 -0.061 30 20 DBED C=C[C@](C)(CC)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ncn(C)n2)C1 1023599033 XCALVNBKHFJRJF-UEKVPHQBSA-N 321.381 -0.281 30 20 DBED N#Cc1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cc[nH]c3)C2)[nH]1 1024100136 FBXHXJGARUFGIK-CHWSQXEVSA-N 313.317 -0.170 30 20 DBED Cc1nc[nH]c1CC(=O)N[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1O 1024956484 FTJPZHRMQZGLDY-GGZOMVNGSA-N 305.338 -0.892 30 20 DBED C#Cc1ccc(C(=O)N2C[C@H]3[C@@H](NCC(N)=O)CC[C@H]3C2)nc1 1026402090 GZOFUVIPHUTXEW-MJBXVCDLSA-N 312.373 -0.012 30 20 DBED C#CCCN1[C@H]2CC[C@H]1CN(C(=O)CN1C(=O)CN(C)C1=O)C2 1029577068 DLQFIYNZPJMAIK-STQMWFEESA-N 318.377 -0.421 30 20 DBED N#CCN1[C@H]2CC[C@H]1CN(C(=O)c1nccnc1C(N)=O)C2 1029578207 WNRZFZWMWHWOHK-UWVGGRQHSA-N 300.322 -0.612 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)[C@@H]3CCNC(=O)C3)C2)C1=O 1030213979 GUPJWWRUOHJTEX-YPMHNXCESA-N 320.393 -0.900 30 20 DBED N#Cc1c[nH]c(C(=O)NCC2CN([C@H]3CCC(=O)NC3=O)C2)c1 1031605049 YKQWMEMHJILMIK-LBPRGKRZSA-N 315.333 -0.647 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CC[C@H](NCC(N)=O)CC2)nn1 1034751742 WLXACKRAFPCKCN-XYPYZODXSA-N 306.370 -0.420 30 20 DBED CC(C)CN1C[C@@H](C(=O)NC[C@H]2CN(CC#N)CCO2)CC1=O 1035389447 CQDCFCWIJBEDKO-KBPBESRZSA-N 322.409 -0.169 30 20 DBED CC#CCN1CCO[C@@H](CNC(=O)c2cnc3[nH]nnc3c2)C1 1035399317 UOMGEEXEXRRDEZ-LBPRGKRZSA-N 314.349 -0.193 30 20 DBED CC#CCN1CCO[C@@H](CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 1035414927 DOUGTUZUQQXSSR-QLFBSQMISA-N 309.410 -0.454 30 20 DBED CC[C@H]1CN(C(=O)Cn2ccc(O)nc2=O)CC[C@H]1NCC#N 1037877436 QFEGYXTUOMGVRO-NWDGAFQWSA-N 319.365 -0.311 30 20 DBED C=C(C)CCC(=O)NC[C@]1(O)CCN(C(=O)c2cnn[nH]2)C1 1040046840 FIUSWEIOODZEAW-CQSZACIVSA-N 307.354 -0.146 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)Cc2cc[nH]n2)C1 1040762506 JDEBQAYWPJIOEY-HZMBPMFUSA-N 305.338 -0.809 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)c2cnccn2)C1 1041259130 DDTODYQIVYVWMA-UHFFFAOYSA-N 304.350 -0.008 30 20 DBED N#Cc1nccnc1N1C[C@@H](O)[C@H](NC(=O)Cc2cnoc2)C1 1041294386 HQSDJMRBBYINCM-VXGBXAGGSA-N 314.305 -0.755 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)CC[C@H]2CCCO2)C1 1041591867 VXIZEAVQVSJYAM-VXGBXAGGSA-N 309.366 -0.205 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)c2cn(C)c(O)n2)C1 1041959884 CIWMLALOXRIMDK-UHFFFAOYSA-N 308.338 -0.605 30 20 DBED CO[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1NC(=O)c1cnon1 1042877588 YPKAPYSLASNHOQ-GHMZBOCLSA-N 315.293 -0.635 30 20 DBED CCC(=O)N[C@@H](C)C(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042965212 XPVPAYKGLGSZMS-NSHDSACASA-N 321.377 -0.996 30 20 DBED C=CCCOCC(=O)NCC1(O)CN(C(=O)[C@@H](C)COC)C1 1043565104 KWNOYLPLPUMMIA-LBPRGKRZSA-N 314.382 -0.449 30 20 DBED C=CCCOCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCOC2)C1 1043566218 SLNVCZHQXOVSQX-GFCCVEGCSA-N 312.366 -0.695 30 20 DBED C=CCCOCC(=O)NCC1(O)CN(C(=O)[C@H](O)C(C)C)C1 1043567745 FMCMCKVGDJPCQW-CYBMUJFWSA-N 314.382 -0.715 30 20 DBED Cc1cc(C(=O)N[C@@H]2CN(c3nccnc3C#N)C[C@@H]2O)no1 1043824925 CXLPXWXGOUXHJU-NEPJUHHUSA-N 314.305 -0.376 30 20 DBED N#Cc1cnc(N2C[C@H](O)[C@H](NC(=O)[C@@H]3CCCCO3)C2)cn1 1043892922 HDNDHZLMJAHZJY-AGIUHOORSA-N 317.349 -0.417 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)COCC(F)F)C1 1043962387 FGWBSQCNHCPQCU-UHFFFAOYSA-N 318.320 -0.239 30 20 DBED C=CCCCC(=O)NCC1(O)CN(C(=O)CNC(=O)OC)C1 1045451254 OQYBEMRZXAYCRZ-UHFFFAOYSA-N 313.354 -0.612 30 20 DBED C=CCCCC(=O)NCC1(O)CN(C(=O)[C@H](C)n2cncn2)C1 1045451619 YPBMVOHDDGXFCG-LBPRGKRZSA-N 321.381 -0.115 30 20 DBED C#CCCCCC(=O)N1CC(O)(CNC(=O)C2(C(N)=O)CC2)C1 1045490902 UODBILNLAPFCLB-UHFFFAOYSA-N 321.377 -0.865 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)CN2CCC[C@H]2C)C1 1046665147 NDXVLCZOYYXZHG-CQSZACIVSA-N 321.421 -0.180 30 20 DBED C=CCn1cc(C(=O)N(C)[C@H]2CN([C@H](C)COC)C[C@@H]2O)nn1 1047553902 CUQIQGVACKYDPE-XBFCOCLRSA-N 323.397 -0.384 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)COC(C)(C)C)C[C@@H]1O 1049388465 KQDGHDWWBUILFR-WOPDTQHZSA-N 311.382 -0.009 30 20 DBED Cc1nc(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)C#N)C2)co1 1049394188 IHZDTVGHAYAZEJ-UWJYBYFXSA-N 306.322 -0.214 30 20 DBED C=CCCC1(C(=O)N(C)[C@H]2CN(C(=O)C(N)=O)C[C@@H]2O)CC1 1049454317 RKHZULWPDVXQMU-QWRGUYRKSA-N 309.366 -0.752 30 20 DBED Cn1cc(C(=O)N2CCC[C@@H]3[C@H]2CCN3CC#N)c(O)nc1=O 1049883822 CJBCAKADBSVKHV-VXGBXAGGSA-N 317.349 -0.312 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)[C@H]1CCN(C(=O)CC)C1 1051198416 SSCITHIGQJVXCH-UONOGXRCSA-N 307.394 -0.305 30 20 DBED C=CCOCC(=O)N1C[C@H](CNC(=O)CC(=O)NC)[C@@H](C)C1 1052221374 PYHUFZKWEHTDAZ-RYUDHWBXSA-N 311.382 -0.464 30 20 DBED C#CCN1CCC(C(=O)N[C@@H]2CCCN(CC(N)=O)CC2)CC1 1052958396 MWUJYDICJGVVBQ-OAHLLOKOSA-N 320.437 -0.212 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)Cc3ccn(C)n3)CO2)C1 1053799587 ZACYERBTZLKAPL-AWEZNQCLSA-N 302.378 -0.055 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)[C@@H]3CCCN3C(C)=O)CO2)C1 1053987646 RROBJEQVEYJCPQ-GJZGRUSLSA-N 319.405 -0.020 30 20 DBED Cn1cnn(CC(=O)N2CCC[C@@]3(CCN(CC#N)C3)C2)c1=O 1054156496 REFSUBDILRXSOI-HNNXBMFYSA-N 318.381 -0.580 30 20 DBED Cn1ccc(=O)c(C(=O)N2CC[C@@H](N=c3cc[nH]c(C#N)n3)C2)c1 1056825362 IKRJXZSEHYVPNM-LLVKDONJSA-N 324.344 -0.205 30 20 DBED N#Cc1c[nH]c(C(=O)N(CCO)CCNC(=O)c2cnco2)c1 1057293252 PTNVXUCTERCOFV-UHFFFAOYSA-N 317.305 -0.261 30 20 DBED CCO[C@H](C)C(=O)NCCN(CCO)C(=O)c1ccc(C#N)[nH]1 1057366719 CRGOVKXJSUDXGJ-LLVKDONJSA-N 322.365 -0.138 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 1057760032 FYWWZHJMTQTHQC-UPJWGTAASA-N 313.361 -0.101 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)[C@H]1C[C@H]2C=C[C@H]1O2 1057945194 QXZDPHWNDXOMQE-HZSPNIEDSA-N 324.377 -0.530 30 20 DBED CC(=O)N1CCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@H](C)C#N 1058243776 XBQSLXXXMVLPPH-YPMHNXCESA-N 324.381 -0.906 30 20 DBED N#Cc1cnc(N2CC[C@H](NC(=O)[C@@H]3CCNC3=O)C2)cn1 1058508272 YLRNADSEEVEODU-GXSJLCMTSA-N 300.322 -0.821 30 20 DBED N#Cc1nccnc1N1CC[C@H](NC(=O)c2c[nH]c(=O)cn2)C1 1058532665 GQRKLPJIQNKILH-VIFPVBQESA-N 311.305 -0.560 30 20 DBED C#CCO[C@H](C)C(=O)NCCN(CCO)C(=O)c1ccnnc1 1058937011 ITCHJGKIIQAUTK-GFCCVEGCSA-N 320.349 -0.934 30 20 DBED N#Cc1ccc(N2CCC[C@H]2CNC(=O)[C@H]2CCNC2=O)nn1 1061422464 IYOUNIRDNSXCGL-RYUDHWBXSA-N 314.349 -0.431 30 20 DBED CC(C)C#CC(=O)NC[C@H]1COCCN1C(=O)[C@H](C)NC(N)=O 1061566606 PZGQLFRGHHPIJJ-RYUDHWBXSA-N 324.381 -0.954 30 20 DBED CN1CCC[C@H]1C(=O)N1CCOC[C@@H]1CNC(=O)C#CC1CC1 1061569674 JNZLAYLKXXHKBI-GJZGRUSLSA-N 319.405 -0.162 30 20 DBED CC(=O)N[C@H](C)C(=O)N1CCOC[C@H]1CNC(=O)C#CC1CC1 1061570303 YBFHMCDSHKXZAQ-BXUZGUMPSA-N 321.377 -0.732 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1COCCN1C(=O)c1ncc[nH]1 1061570379 ZZNCSPFGBHTZBP-GFCCVEGCSA-N 302.334 -0.220 30 20 DBED C=CCn1cc(C(=O)N2CCCC[C@@H]2CNC(=O)C(N)=O)nn1 1062220396 HQTMRHRWBHFKCA-SNVBAGLBSA-N 320.353 -0.940 30 20 DBED N#Cc1cnc(NCC[C@@H]2CCCN(C(=O)C(N)=O)C2)cn1 1063291748 ABIVEUCVYCWICD-JTQLQIEISA-N 302.338 -0.126 30 20 DBED CNC(=O)C1(C(=O)NCC2(NC(=O)[C@H](C)C#N)CCC2)CC1 1063610763 LNPJDGYLJSBKMC-SNVBAGLBSA-N 306.366 -0.173 30 20 DBED C#CCNC(=O)CC(=O)NC1(CNC(=O)[C@H](C)C#N)CCC1 1064302583 OJFUWMPLWJUYEU-LLVKDONJSA-N 304.350 -0.559 30 20 DBED Cc1ncncc1C(=O)N1CCO[C@H](CNC(=O)[C@@H](C)C#N)C1 1064903461 DMXFGOQVURJILI-CMPLNLGQSA-N 317.349 -0.098 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CCCN(C(=O)CN2CCOCC2)CC1 1066474819 JTMPFOOZJIHFCU-KBPBESRZSA-N 322.409 -0.024 30 20 DBED CN(CCCN(C)C(=O)c1cnn[nH]1)C(=O)CSCC#N 1066873552 QNCHIDLXRUXBGH-UHFFFAOYSA-N 310.383 -0.018 30 20 DBED C#CCCCCC(=O)N1CC2(CC[C@@H](CNC(=O)C(N)=O)O2)C1 1068617004 PWUVOGHVOZAKQG-LBPRGKRZSA-N 321.377 -0.459 30 20 DBED C=CCOCC(=O)N1CC2(C[C@@H](NC(=O)c3cnn[nH]3)CO2)C1 1068920051 SQEAWKKHRSZICN-SNVBAGLBSA-N 321.337 -0.893 30 20 DBED C#CCCN1CCn2ncc(CNC(=O)[C@@H]3COC(=O)N3)c2C1 1069859129 GOTZDTRQSUSNBX-LBPRGKRZSA-N 317.349 -0.553 30 20 DBED C#CCN[C@@H]1CN(C(=O)CCc2cnn[nH]2)C[C@@H]1n1ccnn1 1070282860 RGKYYLKANDIGTE-OLZOCXBDSA-N 314.353 -0.996 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@@H](NC(=O)COCC)C1 1070636150 LDHGURIHNSHUKC-GFCCVEGCSA-N 309.366 -0.730 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CCCN(C(=O)Cn2cnnc2O)C1 1070641306 CRIBBRWTVCXJDN-NXEZZACHSA-N 306.326 -0.749 30 20 DBED C=CCN1C[C@H]2C[C@@H]3CN(C(=O)[C@@H]4COCCN4C)C[C@@]3(C1)O2 1070790493 YJZLVKOVDVUJFE-PNBKFKSVSA-N 321.421 -0.195 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)c2[nH]c(O)nc2C)CC1 1070971727 OOIVCNWPOIHCGF-UHFFFAOYSA-N 321.381 -0.126 30 20 DBED C#CCN1CCN([C@@H]2CCCN(C(=O)c3cc[nH]n3)C2)C(=O)C1 1071255013 CGJCYNRBVNDEFX-CYBMUJFWSA-N 315.377 -0.208 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(C(=O)CNC(=O)CC)C[C@@H]1C 1071822510 GUIFDIWUXGBXKU-QWHCGFSZSA-N 323.393 -0.484 30 20 DBED C[C@H]1CC[C@H](NC(=O)CN2CC(=O)N(C)C2=O)CN1CC#N 1071989470 PUSZDCOGRVSASP-QWRGUYRKSA-N 307.354 -0.627 30 20 DBED C#CCCCC(=O)N1C[C@H](C)[C@H](NC(=O)Cn2cnnn2)C1 1071995200 ILLRHZJIYZXCTF-NWDGAFQWSA-N 304.354 -0.560 30 20 DBED C#CCOCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)CNC(C)=O)C1 1072096498 AHBLIUVRYSXBFZ-YPMHNXCESA-N 309.366 -0.875 30 20 DBED C=C(C)CN1CCC2(C1)CN(C(=O)CN1CCOCC1=O)C2 1072818145 MTIFAJDDFQAPGB-UHFFFAOYSA-N 307.394 -0.044 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@H]1CCN(C(=O)C(N)=O)CC1(C)C 1073380792 ZWSFEVXSHDLGGK-BONVTDFDSA-N 311.382 -0.458 30 20 DBED CC#CCCCC(=O)NCC1(O)CCN(C(=O)C(N)=O)CC1 1074703321 AJUJKTGKKLWANZ-UHFFFAOYSA-N 309.366 -0.865 30 20 DBED C=C(C)CN1C[C@@H]2CCN(C(=O)CN3CCOCC3=O)[C@@H]2C1 1075888565 QANGGGUMFQXKPF-UONOGXRCSA-N 307.394 -0.046 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)C[C@H]1CCCO1 1076217706 FBZXBYTZSLQUSZ-QWHCGFSZSA-N 323.393 -0.294 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CN(C[C@@H]3CCOC3)C[C@H]2O)c1 1076855804 ODGFUOAZCONBEX-ZLKJLUDKSA-N 304.350 -0.302 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3ncncc3C2)C1 1077116877 BXJUTNKXTQWARY-DAXOMENPSA-N 314.389 -0.234 30 20 DBED C#CCCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cnns2)C1 1081296946 DBLWYVSFBLSWOG-WDEREUQCSA-N 322.390 -0.109 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2ncc[nH]2)C[C@@H]1O 1081346255 GBFJTZOLOMNXKO-MNOVXSKESA-N 308.338 -0.839 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2cn(C)cn2)C[C@@H]1O 1081347502 WRYGVBAPIGSDNE-AAEUAGOBSA-N 322.365 -0.828 30 20 DBED O=C(Cc1cc[nH]n1)NC[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1081368747 RRQZOECCMMPSQT-TZMCWYRMSA-N 316.361 -0.699 30 20 DBED C#CCCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2cnnn2C)C1 1081445108 QZWPFLTUWWJVMF-DGCLKSJQSA-N 319.365 -0.832 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cn(C)nn2)C1 1081456380 YRQMMFMQIYYBTC-CMPLNLGQSA-N 307.354 -0.670 30 20 DBED C#CCN1C[C@@H](NC(=O)c2cn3c(n2)COCC3)[C@H](OC)C1 1081853932 UPNOWCGFZBQBJZ-DGCLKSJQSA-N 304.350 -0.525 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)C1(N2CCOCC2)CCC1 1082282841 HRIFRKXRAXQUOU-ZIAGYGMSSA-N 322.409 -0.420 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1ccc2oc(O)nc2n1 1082324597 UHHKIYYVISKPFC-MWLCHTKSSA-N 317.305 -0.119 30 20 DBED CC#CCN1C[C@@H](NC(=O)[C@@H]2CCCS2(=O)=O)[C@H](OC)C1 1082378804 WQNUFXLEXCCHGL-UPJWGTAASA-N 314.407 -0.598 30 20 DBED C#CCN1CCC(C(=O)N2CCO[C@@H]3CN(CC#N)C[C@@H]32)CC1 1083283778 SIQHYLICSSRRTO-JKSUJKDBSA-N 316.405 -0.233 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)Cc2c(C)nc(O)nc2O)C1 1083884018 JERRKWFCXDFGEM-MNOVXSKESA-N 308.338 -0.914 30 20 DBED N#CCN1C[C@H]2CC[C@H]1[C@H]1CN(C(=O)Cn3cncn3)C[C@H]21 1087410895 QNMZMWXYLKXXSU-MQYQWHSLSA-N 300.366 -0.030 30 20 DBED CC[C@@H]1[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)CCN1CC#N 1087748103 OMIBKOGMSFKFLK-NWDGAFQWSA-N 319.365 -0.810 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2ccc3nn[nH]c3n2)[C@@H](O)C1 1090312622 KQPQLZVDKJWLNP-MFKMUULPSA-N 314.349 -0.459 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)c2cc(=O)n(C)cn2)[C@H](O)C1 1090337532 SADLQMSSOKQZCT-WCQYABFASA-N 306.366 -0.479 30 20 DBED C=CCCN1CC[C@H](NC(=O)Cc2cn(CC)nn2)[C@@H](O)C1 1090442224 RDYXBUBANMKPBE-KBPBESRZSA-N 307.398 -0.032 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cnc(O)cc2OC)[C@H](O)C1 1090582451 APCRFHJMKCBPAS-NWDGAFQWSA-N 305.334 -0.406 30 20 DBED CC(=O)N(C)CC(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1C 1090677543 OOIMNCDVFSHNJI-ZWNOBZJWSA-N 316.365 -0.233 30 20 DBED COc1cc(C)nc(N2C[C@H](O)[C@H](NC(=O)[C@@H](C)C#N)C2)n1 1091082863 LJXBPQSZQFLCRU-GDPRMGEGSA-N 305.338 -0.381 30 20 DBED C=CCNC1CC(CNC(=O)[C@H]2CCN(C)S2(=O)=O)C1 1091277374 OSGZUHZSSACJMR-HTAVTVPLSA-N 301.412 -0.309 30 20 DBED CC1(C)CC[C@@H](CNC(=O)C(N)=O)N(c2cnc(C#N)cn2)C1 1092120763 GTYVWEUOQIYECD-NSHDSACASA-N 316.365 -0.055 30 20 DBED N#Cc1nccnc1N1C[C@H]2C(NC(=O)CCCC(N)=O)[C@@H]2C1 1093277767 GDYYZCHGJWVEPG-NXEZZACHSA-N 314.349 -0.445 30 20 DBED C#CCNC(=O)CC(=O)NCCNc1ncccc1[N+](=O)[O-] 1093558374 QNPCWTMGVGPJDL-UHFFFAOYSA-N 305.294 -0.343 30 20 DBED N#Cc1cnc(NCCNC(=O)C2CCS(=O)(=O)CC2)cn1 1093866930 NYVUMFDNBGOLKZ-UHFFFAOYSA-N 323.378 -0.299 30 20 DBED Cc1cc(C#N)nc(NCCNC(=O)[C@H]2CC(=O)N(C)C2)n1 1094192059 QTSAIUKTJPEBRF-JTQLQIEISA-N 302.338 -0.337 30 20 DBED CCn1cc(CC(=O)NCCNc2nccnc2C#N)nn1 1094281534 JROPYJJNADGKGP-UHFFFAOYSA-N 300.326 -0.270 30 20 DBED CN1CC[C@H](C(=O)NCCCNc2cncc(C#N)n2)C1=O 1094705696 USYBPSAXKZNQHE-LLVKDONJSA-N 302.338 -0.255 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)c3nn(C)cc3C)CC2=O)C1 1094737553 WLYPQLZEYUYSSL-LBPRGKRZSA-N 317.393 -0.071 30 20 DBED C#CCN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cn(C)c(=O)n1C)C2 1095063668 AUZXJCHIDMFAMZ-XQQFMLRXSA-N 302.378 -0.060 30 20 DBED CN(CCCNC(=O)[C@@H]1COCCO1)c1cncc(C#N)n1 1095490145 SLZMNSAEAOQEIO-LBPRGKRZSA-N 305.338 -0.294 30 20 DBED CNC(=O)CC(=O)NCCCN(c1nccnc1C#N)C1CC1 1096026825 UHJMHCDFEBWZKV-UHFFFAOYSA-N 316.365 -0.041 30 20 DBED C[C@H](NC(N)=O)C(=O)N[C@H]1C[C@H](Nc2nccnc2C#N)C1 1097014282 PWFQIGRTCLVBIL-CIUDSAMLSA-N 303.326 -0.536 30 20 DBED C[C@H](CNC(=O)[C@@]1(C)CNC(=O)C1)Nc1cncc(C#N)n1 1098153717 XAUSNULWIOJONA-YMTOWFKASA-N 302.338 -0.209 30 20 DBED CCNC(=O)CCC(=O)NCC[C@@H](C)N=c1cc[nH]c(C#N)n1 1098924142 CIAJGWBMDADVBT-LLVKDONJSA-N 318.381 -0.007 30 20 DBED CNC(=O)NCCC(=O)NCC[C@H](C)N=c1cc[nH]c(C#N)n1 1099095960 PKRWAEPWTMEBAP-JTQLQIEISA-N 319.369 -0.604 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)CN(C)C(C)=O)[C@H](O)C1 1099689221 DUDNCHIGOBWBCG-ZIAGYGMSSA-N 313.398 -0.781 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(Cc2n[nH]c(C)n2)C[C@@H]1O 1099738816 SSQVYQABCVUUIV-RYUDHWBXSA-N 309.370 -0.633 30 20 DBED Cn1nncc1CN1CC[C@@H](NC(=O)C#CC(C)(C)C)[C@@H](O)C1 1099828981 BRLCLSDZKJJTLJ-KGLIPLIRSA-N 319.409 -0.084 30 20 DBED C#CCC1(C(=O)N[C@@H]2CCN(CCCO)C[C@H]2O)CCOCC1 1099874790 QVXRHAYGOVVSAA-HUUCEWRRSA-N 324.421 -0.260 30 20 DBED COC(=O)[C@H]1C[C@@H]1C(=O)NCCN(C)c1cnc(C#N)cn1 1099961246 NJSPBNKZJGXSTO-QWRGUYRKSA-N 303.322 -0.290 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2ncccn2)[C@H](O)C1 1100041173 FXWUTFAFKVTTBW-CHWSQXEVSA-N 304.350 -0.709 30 20 DBED CC(C)CC(=O)NCCC(=O)N[C@H]1CCN(CC#N)C[C@H]1O 1100143574 WVZXAEOUOCJNKM-QWHCGFSZSA-N 310.398 -0.386 30 20 DBED CC[C@@H](NC(C)=O)C(=O)NCCN(C)c1ccnc(C#N)n1 1100340163 SEEZHQQHZNIDRF-LLVKDONJSA-N 304.354 -0.185 30 20 DBED C=CCCNC1CC(CNC(=O)CN2CCN(C)C(=O)C2)C1 1100464925 MESWVHIRDOJHAK-UHFFFAOYSA-N 308.426 -0.179 30 20 DBED N#Cc1ccc(N2CCC[C@H]2CNC(=O)Cn2cnnn2)nn1 1100776434 IKMWOHLENGCLPN-NSHDSACASA-N 313.325 -0.880 30 20 DBED CC(C)(C(N)=O)C(=O)NC[C@@H]1CCN(c2nccnc2C#N)C1 1101022460 IXCAKTPXHGTGHX-JTQLQIEISA-N 316.365 -0.198 30 20 DBED CN(CCNc1cncc(C#N)n1)C(=O)CCn1cncn1 1101501604 AOEAWHISPPGXCN-UHFFFAOYSA-N 300.326 -0.100 30 20 DBED CN1C[C@H](C(=O)N(C)CCNc2cnc(C#N)cn2)CC1=O 1102004690 ZHSVKQBNHCHIIQ-SNVBAGLBSA-N 302.338 -0.303 30 20 DBED CCN(C(=O)CC(N)=O)[C@H]1CCN(c2nccnc2C#N)C1 1102783986 IAPFSYRXCWRTOG-JTQLQIEISA-N 302.338 -0.349 30 20 DBED CC[C@@H](CNC(=O)[C@@H]1COCCN1C)Nc1nccnc1C#N 1103036745 QTRSJKWNEJMSIE-AAEUAGOBSA-N 318.381 -0.014 30 20 DBED C=CCCNCc1cn(C2CN(C(=O)CN(C)C(C)=O)C2)nn1 1105169131 AMZCUQHPNBMTRN-UHFFFAOYSA-N 320.397 -0.195 30 20 DBED C#CCCNCc1cn(C2CN(C(=O)CNC(=O)OC)C2)nn1 1105174139 KXHAHRLGBFWOQA-UHFFFAOYSA-N 320.353 -0.870 30 20 DBED C[C@H](NC(N)=O)C(=O)N(C)CCN(C)c1cncc(C#N)n1 1105379914 QSSMHOGXOMYZAT-VIFPVBQESA-N 305.342 -0.700 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)Cc2cncnc2)nc1 1105805859 LAUQJUDYLXTMMM-ZDUSSCGKSA-N 312.333 -0.125 30 20 DBED CN1CCC(C(=O)NC[C@@H](O)CNc2cncc(C#N)n2)CC1 1105882183 DQZGBRSMCVWMKR-ZDUSSCGKSA-N 318.381 -0.421 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H](O)CNc1ccc(C#N)cn1 1105970366 GDRCDIHOUUIJBD-AAEUAGOBSA-N 302.334 -0.119 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H](O)CN=c1cc[nH]cc1C#N 1105970863 OANFOBGGWZVIMI-DGCLKSJQSA-N 302.334 -0.698 30 20 DBED C[C@@H]1CCO[C@@H]1C(=O)NC[C@H](O)CNc1cncc(C#N)n1 1106122142 SDHLJGQAJPIIPV-XWIASGKRSA-N 305.338 -0.338 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNc1cnc(C#N)cn1 1106284536 BDCVXGQFYGBZRR-NSHDSACASA-N 314.349 -0.206 30 20 DBED C=CCCN1CC(n2cc(CNC(=O)Cc3nc[nH]n3)nn2)C1 1107227931 UJNXBBZIYYJBTC-UHFFFAOYSA-N 316.369 -0.312 30 20 DBED N#Cc1nc(=NC/C=C/CNC(=O)CCc2cnn[nH]2)cc[nH]1 1107529029 GIJVRBHOKODKBR-OWOJBTEDSA-N 312.337 -0.395 30 20 DBED N#Cc1c[nH]ccc1=NC/C=C/CNC(=O)[C@H]1CCC(=O)NC1 1107592277 BEKBEIKBCGBUHN-ISUDXETCSA-N 313.361 -0.014 30 20 DBED C=CCOCC(=O)NC[C@]1(C)CN(Cc2cnn(C)n2)CCO1 1107812248 ZNCPEPPGJLBPBQ-OAHLLOKOSA-N 323.397 -0.275 30 20 DBED C=CCOCC(=O)NC[C@]1(C)CN([C@H](CC)C(N)=O)CCO1 1107813362 RGURNGGLFMRJKH-IUODEOHRSA-N 313.398 -0.340 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)c2cnc3[nH]nnc3c2)C1 1107996772 INKCSCTZVUAUBA-HNNXBMFYSA-N 314.349 -0.193 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)[C@@H]1CC(=O)N(C)C1 1108178194 QOWQCKXMGNLSKK-NXEZZACHSA-N 302.338 -0.835 30 20 DBED C[C@H](CNc1cnc(C#N)cn1)NC(=O)[C@@H]1CC(=O)N(C)C1 1108178289 RYARACFEKMMMSO-NXEZZACHSA-N 302.338 -0.257 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)[C@H]1CC[C@@H](C(N)=O)C1 1108695999 WNYXFOAIQKXIAY-AXFHLTTASA-N 316.365 -0.412 30 20 DBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H]1CCCOC1 1109046135 FHMNZVDQMHSNCW-MQYQWHSLSA-N 320.393 -0.226 30 20 DBED C[C@@H](CN(C)c1cncc(C#N)n1)NC(=O)[C@H]1CN(C)C(=O)N1 1109194894 XQWLFMUHIFMITD-GXSJLCMTSA-N 317.353 -0.687 30 20 DBED CS(=O)(=O)CCC(=O)NCC1(Nc2cnc(C#N)cn2)CC1 1110390712 ACAVEQGOGPTEFM-UHFFFAOYSA-N 323.378 -0.156 30 20 DBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H]1CCCCO1 1110445314 NTVQTJYPEVWAIZ-YIYPIFLZSA-N 320.393 -0.083 30 20 DBED C[C@@]1(CNC(=O)C(N)=O)CCCN(c2cnc(C#N)cn2)C1 1110953488 GZXHFIWWYOIFOC-AWEZNQCLSA-N 302.338 -0.444 30 20 DBED CCO[C@@H](C)C(=O)NC[C@@]1(O)CCN(c2ccnc(C#N)n2)C1 1111029066 BQKCVKBUKUGVHP-NHYWBVRUSA-N 319.365 -0.169 30 20 DBED C#CCNC(=O)CC(=O)N1CCO[C@@H](CNc2ncccn2)C1 1111940783 UVNNUSDQKJANLL-LBPRGKRZSA-N 317.349 -0.745 30 20 DBED CN(CCCN(C)c1cncc(C#N)n1)C(=O)[C@@H]1CNC(=O)N1 1112168539 SYGDOFBYUABDCS-NSHDSACASA-N 317.353 -0.686 30 20 DBED C#CCNC[C@]12CCC[C@H]1CN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)C2 1112529150 JENHXPDLPLNOEI-ZJOBFFGXSA-N 319.405 -0.129 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)Cc2[nH]cnc2C)CC1 1113581875 LTXQYBKYVRLECB-UHFFFAOYSA-N 305.382 -0.293 30 20 DBED Cc1nc(N(C)[C@H](C)CNC(=O)Cn2ncnn2)ccc1C#N 1113723781 VBNJFXVRVHBSKV-SNVBAGLBSA-N 314.353 -0.111 30 20 DBED C[C@H](CNC(=O)[C@H]1CCN(C)C1=O)N(C)c1cnc(C#N)cn1 1113826808 MPWLMDAQRJKTFZ-ZYHUDNBSSA-N 316.365 -0.233 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)c3ccn(C)c3)[C@H]2C1 1114138002 AHVVPFFRSZKBBJ-UBHSHLNASA-N 314.389 -0.177 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)[C@@H](C)C(F)(F)F)[C@@H]2C1 1114689792 QNJFBBVTIFPXGM-OPRDCNLKSA-N 317.311 -0.019 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)c3cccnn3)[C@@H]2C1 1115006115 ZDGSBWMSDLZOLQ-GHMZBOCLSA-N 301.350 -0.561 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)Cc3[nH]cnc3C)[C@@H]2C1 1115169130 AZHSOKRSSUGZNW-VXGBXAGGSA-N 315.377 -0.944 30 20 DBED C=CCCCN1C[C@@H]2C(NC(=O)CS(=O)(=O)N(C)C)[C@H]2C1 1115189236 ZYGBQKLHWFPPLE-RYUDHWBXSA-N 315.439 -0.110 30 20 DBED COC(=O)NCC(=O)N(C)C[C@@H](C)Nc1ccc(C#N)nn1 1115620592 GNEUVKHPTWOCCY-SECBINFHSA-N 306.326 -0.037 30 20 DBED N#C[C@@H]1CN(C(=O)NC2CCC3(CC2)NC(=O)NC3=O)CCO1 1117430735 IGRRJYYDHOYGOK-OPASDULOSA-N 321.337 -0.559 30 20 DBED Cn1cc(C(=O)NC[C@H](CO)Nc2ccc(C#N)nn2)cn1 1121023282 DIIFMKFZVDRXPZ-LLVKDONJSA-N 301.310 -0.715 30 20 DBED COCCOCCC(=O)NC[C@H](CO)Nc1ccc(C#N)cn1 1121698066 FWKAKRASADONAA-CYBMUJFWSA-N 322.365 -0.105 30 20 DBED C#Cc1ccc(C(=O)NC[C@H](CO)N=c2cc[nH]cc2C#N)cn1 1121847409 ORBHLISCFNAHHF-OAHLLOKOSA-N 321.340 -0.046 30 20 DBED C=CCCCC(=O)NC[C@H](CO)N=c1cc[nH]c(C(=O)OC)n1 1122515520 ZZOVLWGTFOWWMF-LLVKDONJSA-N 322.365 -0.070 30 20 DBED C[C@@H]1C[C@@H](Nc2ccc(C#N)nn2)CN1C(=O)CCNC(N)=O 1123230276 HQOIGUHNRKPQHC-MWLCHTKSSA-N 317.353 -0.192 30 20 DBED Cc1nc[nH]c1C(=O)N(C)C[C@H](O)CNc1nccnc1C#N 1124399182 KYQNHPSNTIZZOU-SNVBAGLBSA-N 315.337 -0.075 30 20 DBED CCCN(C)CC(=O)N(C)C[C@H](O)CNc1cncc(C#N)n1 1124442150 PFVFEYDNIUJTGX-CYBMUJFWSA-N 320.397 -0.079 30 20 DBED Cc1nn[nH]c1C(=O)N(C)C[C@H](O)CNc1cnc(C#N)cn1 1124633796 NQJBHNFFGSBLEQ-SNVBAGLBSA-N 316.325 -0.680 30 20 DBED COC[C@@H](OC)C(=O)N(C)C[C@@H](O)CNc1ccc(C#N)nn1 1124721455 NQXZWQSYNRNKJU-NWDGAFQWSA-N 323.353 -0.759 30 20 DBED CN(C[C@@H](O)CN(C)c1cnc(C#N)cn1)C(=O)c1cc[nH]n1 1125018446 VKYHXVSZLOGYRO-NSHDSACASA-N 315.337 -0.359 30 20 DBED C#CCO[C@H](C)C(=O)NCCNCC(=O)N1CCC[C@@H](C)C1 1127046002 KDYDIVLUXWGZQQ-ZIAGYGMSSA-N 309.410 -0.011 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCNCc1nnnn1C(C)C 1129774813 GJCSOZHZQXJKNM-ZDUSSCGKSA-N 319.413 -0.443 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)[C@H]1CCN(C)C(=O)C1 1130367680 QOELTDUOMVPWAR-RYUDHWBXSA-N 310.398 -0.749 30 20 DBED C=CCCC(=O)NCc1nc([C@@H]2COCCN2CC(N)=O)n[nH]1 1130831652 MBZVHFQUGLHZDG-JTQLQIEISA-N 322.369 -0.754 30 20 DBED C#CCCN1CCNC(=O)CCN(C(=O)[C@H](C)COC)CC1 1131341795 BSHLGCPBWSYXII-CQSZACIVSA-N 309.410 -0.057 30 20 DBED C#Cc1ccc(C(=O)NCCNCCNS(=O)(=O)CC)cc1 1132226878 RRQICYQAKKYKIW-UHFFFAOYSA-N 323.418 -0.073 30 20 DBED C=CCOCC(=O)N1CC[C@H](C)[C@H](CNCC(=O)NCC#N)C1 1132705495 NARNGVVFSLPWFH-UONOGXRCSA-N 322.409 -0.097 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@H](C)c1cncnc1 1132819335 APLDANMKRSEDIK-NEPJUHHUSA-N 303.366 -0.576 30 20 DBED C#CCNC[C@@H]1CN(C(=O)CN(C)C(=O)COC)CC[C@H]1C 1132874797 MYWOBJIRQQABGO-ZIAGYGMSSA-N 309.410 -0.201 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)C1(CF)CC1 1133643227 KEBPNWVMUZSAQP-JTQLQIEISA-N 314.361 -0.158 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)[C@@H]2CCCCC(=O)N2)C1=O 1133681135 ISWWPVGBBRAGBA-QWHCGFSZSA-N 322.409 -0.462 30 20 DBED C=CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)CNC(=O)CC 1133969606 NEULFELZFGLAPW-NWDGAFQWSA-N 312.414 -0.312 30 20 DBED C#CCN[C@@H](C)C[C@H](C)NC(=O)CCS(=O)(=O)N(C)C 1146572164 SRLQSJWYUQTPQN-RYUDHWBXSA-N 303.428 -0.226 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)C[C@@H](C)N1CCCC1=O 1147614888 KTIVZSHXPDWRCP-OLZOCXBDSA-N 324.425 -0.216 30 20 DBED C#CCNC(=O)CN1CCCO[C@@H](CNC(=O)/C=C/C2CC2)C1 1149520368 GKOUYMSGUNEUIY-LFAOLKIESA-N 319.405 -0.091 30 20 DBED C#CCNC(=O)CN1CCCO[C@@H](CNC(=O)[C@@H]2C[C@H]2CC)C1 1150333794 PQBMTBDJGMNXJU-QLFBSQMISA-N 321.421 -0.011 30 20 DBED C#CCN1CCC(C(=O)NCCN[C@H](C)C(=O)NC2CC2)CC1 1152330340 MIHDRQWRMQEURB-CYBMUJFWSA-N 320.437 -0.296 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)c1cnn(C)c1N 1152948902 VCIXVGSZJNOCAJ-SNVBAGLBSA-N 321.385 -0.918 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@H](C)NC(=O)C1CCC1 1153699457 DQXFEQKHHXEPDR-NEPJUHHUSA-N 324.425 -0.312 30 20 DBED CCN(CC#N)[C@H](C)CNC(=O)CN1CCCS1(=O)=O 1153727983 JRKNJBGIVGDWSQ-LLVKDONJSA-N 302.400 -0.628 30 20 DBED N#Cc1cccc(CNCCNC(=O)C[C@H]2CC(=O)NC2=O)c1 1153886680 GLFSZNNKRYHLLO-ZDUSSCGKSA-N 314.345 -0.183 30 20 DBED C=CCCO[C@H](C)C(=O)NCCCN[C@@H](C)C(=O)NC(N)=O 1155454711 KMZUHMWHWZOWTB-WDEREUQCSA-N 314.386 -0.353 30 20 DBED C#CCN1CC=C(CCNC(=O)[C@H](C)NS(C)(=O)=O)CC1 1161320100 CCHXNUYHUXKPGK-LBPRGKRZSA-N 313.423 -0.304 30 20 DBED COCC1(CNC(=O)[C@@H](C)NC(C)=O)CCN(CC#N)CC1 1162081646 SIAPAJQBJLNNNY-GFCCVEGCSA-N 310.398 -0.121 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)[C@H]2CCN(C)C2=O)C1=O 1164296427 YTUBVIFYHAQADY-OLZOCXBDSA-N 322.409 -0.653 30 20 DBED C#Cc1cncc(C(=O)NCCCNCC(=O)NC(=O)NC)c1 1166299222 LZHGMJOFQJENLE-UHFFFAOYSA-N 317.349 -0.772 30 20 DBED C=CCNC(=O)CNCC1(CCNC(=O)[C@H]2C[C@H]2C(N)=O)CC1 1167254400 HZMMZEDVQPOIBY-NEPJUHHUSA-N 322.409 -0.714 30 20 DBED C#CCCNCCCC[C@H](C)NC(=O)c1cn(CC(N)=O)nn1 1176754002 PNUKPAPRQLFEBZ-LBPRGKRZSA-N 320.397 -0.335 30 20 DBED C#CCNCCCCCCNC(=O)[C@@H](C)NS(C)(=O)=O 1179686292 IGTWIJVLOWFBPY-GFCCVEGCSA-N 303.428 -0.177 30 20 DBED Cc1nonc1C(=O)N1CC[C@H](NCC(=O)NCC#N)[C@@H]1C 1180288178 RVUMOCACHACOQY-UWVGGRQHSA-N 306.326 -0.790 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)c2nonc2C)[C@H]1C 1180288428 XNTLMMPVBNHAEZ-QWRGUYRKSA-N 307.354 -0.127 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)Cc2cc[nH]n2)C1 1181801882 VIRSQAPNKDKWEL-WCQYABFASA-N 303.366 -0.719 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CCN(C)[C@@H]2C)C1 1182676323 HCGUMBNERWSUJE-MGPQQGTHSA-N 306.410 -0.734 30 20 DBED C#CCNC[C@@H]1CCN(C(=O)CNS(=O)(=O)CC)C[C@@H]1C 1184525260 VPRLDIMSOSSJAU-STQMWFEESA-N 315.439 -0.367 30 20 DBED COCC#CCNC[C@@H]1CCN(C(=O)C2(C(N)=O)CC2)C[C@@H]1C 1185041285 TTZFGDDZJWZCCK-KBPBESRZSA-N 321.421 -0.024 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3ocnc3C)[C@@H]2C1 1187448049 VOXAGSCITRDIBY-QWHCGFSZSA-N 316.361 -0.121 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 1188158386 MTGIOYMAYKDESQ-ZIAGYGMSSA-N 308.426 -0.345 30 20 DBED C[C@H](C(=O)N1CC[C@@H](NCC(=O)NCC#N)C1)c1cnn(C)c1 1188528160 HILPTHSNQLRLCO-WCQYABFASA-N 318.381 -0.646 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](N(C)C[C@H]2CCOC2)C1 1189769824 MHQPPNTVIVGAFF-KGLIPLIRSA-N 307.394 -0.305 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(Cc2cc3n(n2)CCC3)C[C@H]1O 1191777843 RGDLFVXYIXWXHJ-HUUCEWRRSA-N 320.393 -0.307 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(Cc2nonc2C)C[C@H]1O 1192523999 CXQSYLFJVFIAJI-BZPMIXESSA-N 310.354 -0.634 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(Cc2cc(C)ncn2)C[C@H]1O 1192531076 TUBHLJXDTHDDRW-IIAWOOMASA-N 320.393 -0.227 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C2(C)CC=CC2)C1 1195842164 IPTNYXNKDHBTLU-CHWSQXEVSA-N 305.378 -0.747 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)C[C@@H](C)N2CCCC2=O)C1 1197768316 COUUYLDZKNTGQD-MGPQQGTHSA-N 307.394 -0.428 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)NC(=O)c2ccccc2)C1 1198392818 OCYLIOPNQSCPCG-BPLDGKMQSA-N 315.373 -0.401 30 20 DBED CN1CCCC[C@@H]1C(=O)N1CCC(NCC(=O)NCC#N)CC1 1201266735 FRGPOACBWXDTLQ-CQSZACIVSA-N 321.425 -0.309 30 20 DBED C[C@H]1C[C@@H](C(=O)N2CCC(NCC(=O)NCC#N)CC2)CO1 1201339283 WXTQIJSCXYPHLY-NWDGAFQWSA-N 308.382 -0.368 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)c2cnn(CC)n2)[C@H](C)C1 1206930515 MZEHJXCRMMJWHP-DGCLKSJQSA-N 320.397 -0.350 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)CCCC(=O)NC)C1 1207878174 PYBFTSUBSXPRJU-CYBMUJFWSA-N 324.425 -0.215 30 20 DBED CC#CCN[C@@H]1CCCN(C(=O)[C@@H]2COCCN2C(C)=O)C1 1211162201 ZKPPDWWPFVUPIE-CABCVRRESA-N 307.394 -0.162 30 20 DBED CO[C@@H]1CN(Cc2cnnn2C)C[C@H]1NC(=O)CSCC#N 1211891824 TVXGAJUPMGPCST-VXGBXAGGSA-N 324.410 -0.613 30 20 DBED COCC#CCN1C[C@@H](NC(=O)CCn2ccnn2)[C@H](OC)C1 1212175497 QYMYKQSDXFBVRZ-ZIAGYGMSSA-N 321.381 -0.867 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)CNC(=O)CC)C[C@H]1C 1214355789 ILNSIOKYPLRRAE-FRRDWIJNSA-N 324.425 -0.360 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CN(C[C@@H]2CCNC(=O)CC2)C[C@@H]1O 1219591893 YYYOZSHWTULVKJ-ZNMIVQPWSA-N 319.405 -0.523 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)CN(C)S(=O)(=O)CC)C1 1220656894 URCGTOVKEFMCDE-NEPJUHHUSA-N 319.427 -0.995 30 20 DBED C#CCO[C@H](C)C(=O)NCC1CCN([C@@H](C)C(=O)NC)CC1 1223182406 DGRQRADQVBICBI-QWHCGFSZSA-N 309.410 -0.013 30 20 DBED C[C@H]1C[C@H](C(=O)NCC2CCN(CC(=O)NCC#N)CC2)CO1 1223654281 KGVGSFCFZPQCGM-JSGCOSHPSA-N 322.409 -0.121 30 20 DBED CN(C[C@@H]1CCN1CC(=O)NCC#N)C(=O)C1CCOCC1 1230557481 VJGVBEPCPBGUAG-ZDUSSCGKSA-N 308.382 -0.415 30 20 DBED Cc1nc(O)[nH]c1C(=O)N(C)C[C@H]1CCN1CC(=O)NCC#N 1235636101 XXDPDEHGOPMUFY-SNVBAGLBSA-N 320.353 -0.790 30 20 DBED CCNC(=O)CN(CC)C(=O)CCN/C(O)=C1/N=CC=CC1=O 1251960623 WPGFPLYBBHQQHQ-PFONDFGASA-N 322.365 -0.113 30 20 DBED Cn1cnn(CC(=O)[C@@H](C#N)c2nc(N)c3ccccc3n2)c1=O 1263292982 YRTADSSMBPDKES-SNVBAGLBSA-N 323.316 -0.016 30 20 DBED COCCOC[C@H](C)NC(=O)C(=O)N1CC[C@](F)(C#N)C1 1323163661 KPRFCFZPIAQYSV-GWCFXTLKSA-N 301.318 -0.382 30 20 DBED C#CCSCCNC(=O)C(=O)N1CC[C@@H](C(=O)OC)[C@H]1C 1326870584 OXSVXVFHNFCIKP-GHMZBOCLSA-N 312.391 -0.121 30 20 DBED N#CC1(NC(=O)COC(=O)c2ccc(C(N)=O)cn2)CCC1 1328701811 VZVFNONJKAXDJO-UHFFFAOYSA-N 302.290 -0.100 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)NCC2(N)CCCC2)CCN1C1CC1 1330863752 YFQYIMIAXZIMGL-ZDUSSCGKSA-N 319.409 -0.427 30 20 DBED C#CCNC(=O)C1CCN(C(=O)[C@@H](C)[C@H]2CCC(=O)N2)CC1 1331692838 AZSKPDZSRMBOJD-WCQYABFASA-N 305.378 -0.111 30 20 DBED N#C[C@H]1CC[C@@H](NC(=O)C(=O)N[C@H]2CC(=O)N(C3CC3)C2)C1 1332042168 CKEUSQLSBOTZRJ-AXFHLTTASA-N 304.350 -0.326 30 20 DBED N#C[C@H]1CC[C@@H](NC(=O)C(=O)NCCCN2C(=O)CCC2=O)C1 1332058027 HSDLNVPXOPZHBJ-WDEREUQCSA-N 320.349 -0.550 30 20 DBED COC[C@@]1(CO)CCN(C(=O)C(=O)N2CCC[C@H](C#N)C2)C1 1338081324 JPKLPZKYZYGUOX-DOMZBBRYSA-N 309.366 -0.394 30 20 DBED C#CCN1CCC(c2nnc(N3CCCNC(=O)C3)n2C)CC1 1341467964 LRWKHBIYVRXWJM-UHFFFAOYSA-N 316.409 -0.046 30 20 DBED CC(=O)N1CC(C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)C1 1361551107 USNANQLTVRBOGS-UHFFFAOYSA-N 318.337 -0.465 30 20 DBED N#Cc1ccc(NCC(=O)NCCN2CCC(O)CC2)nc1 1362693573 FZWOBXAFARUQSA-UHFFFAOYSA-N 303.366 -0.062 30 20 DBED C[C@H](CCCO)CNC(=O)CCn1cc(C#N)c(O)nc1=O 1363095244 OODUVAONFMZUEI-SNVBAGLBSA-N 308.338 -0.265 30 20 DBED CS(=O)(=O)c1ncnn1CC(=O)NCc1ccc(C#N)cc1 1365260864 KMYVIZZDYHHSOQ-UHFFFAOYSA-N 319.346 -0.130 30 20 DBED COCCN(CCNC(=O)[C@H](C)C#N)C(=O)c1nnn(C)c1C 1371151680 UTVSSMODFVYRLL-SNVBAGLBSA-N 322.369 -0.512 30 20 DBED COC[C@@H](O)CN1CCO[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 1374124789 PQANSRQRLBTVAL-QWHCGFSZSA-N 322.365 -0.676 30 20 DBED CC[C@@H](C(=O)N1CC(NC(=O)[C@@H](C)C#N)C1)N1CCCC1=O 1374749787 KPMYZWRVZGXIMY-JQWIXIFHSA-N 306.366 -0.126 30 20 DBED CC(=O)N(C)CC(=O)NCC1CN(C(=O)c2ccc(C#N)[nH]2)C1 1374798174 YKTFFMLCOHCSKQ-UHFFFAOYSA-N 317.349 -0.447 30 20 DBED CCN(CCC#N)C(=O)CNC1(CNC(=O)c2cnn[nH]2)CC1 1375437162 HLGLRTLZGOJXOH-UHFFFAOYSA-N 319.369 -0.581 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(Cc2ncc(Cl)n2C)C1 1376150315 PVARUUFVHGLGBO-VIFPVBQESA-N 311.773 -0.104 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](C)CNC(=O)CNC(=O)c1ccncc1 1377281536 YKWFCASMVXFSMS-WDEREUQCSA-N 317.349 -0.408 30 20 DBED C[C@@H](CN(C)Cc1nc(O)n[nH]1)NC(=O)c1cc(C#N)c[nH]1 1379650037 LROGIIKVRIWFTB-QMMMGPOBSA-N 303.326 -0.040 30 20 DBED C=C(Cl)CN1CC(O)(CNC(=O)CCN2CCCC2=O)C1 1380641645 KBALQEUKMKJDSP-UHFFFAOYSA-N 315.801 -0.086 30 20 DBED COC[C@H](OC)C(=O)NCC1(NC(=O)c2cc(C#N)c[nH]2)CC1 1389960255 KRSKGMHBZFFGDQ-LBPRGKRZSA-N 320.349 -0.074 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1cc2n(n1)CCCC2 1392135134 UZBWJGLWUBZEBZ-CMPLNLGQSA-N 319.365 -0.414 30 20 DBED CCn1nc(C(=O)N[C@@H](C)CNC(=O)[C@@H](C)C#N)ccc1=O 1397581264 UPHCAKRGXCFLDI-UWVGGRQHSA-N 305.338 -0.343 30 20 DBED C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)[C@H]1CCC(=O)NC1 1408117183 YBGVNCCYRFHYGF-ONGXEEELSA-N 317.349 -0.353 30 20 DBED Cc1c([C@@H](C)NC(=O)Cn2cc(C#N)c(O)nc2=O)cnn1C 1412406036 RWCHYSSXJVJTPZ-MRVPVSSYSA-N 316.321 -0.260 30 20 DBED C[C@H](C#N)C(=O)N(C)C[C@H]1CCCN(C(=O)Cn2cnnn2)C1 1414902399 VXJGEQQGMAJCAD-VXGBXAGGSA-N 319.369 -0.470 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](C)CNC(=O)c1ccn2nnnc2c1 1415230661 TWKUGAGTGHAYQV-DTWKUNHWSA-N 301.310 -0.482 30 20 DBED C[C@@H](C#N)C(=O)NC1CN(C(=O)[C@H]2CCCCN2C(N)=O)C1 1416047178 PERQNQDXBIUBHE-GXSJLCMTSA-N 307.354 -0.594 30 20 DBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@@H]1CSCC(=O)N1 1417683551 MWKHEEQIOQQTFI-JTQLQIEISA-N 322.394 -0.514 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNCC(=O)NCc1cccs1 1422266979 QLALQOCZCJSFGM-GHMZBOCLSA-N 324.406 -0.409 30 20 DBED C[C@H](C#N)C(=O)N(C)C[C@H]1CCCN1C(=O)c1c[nH]c(=O)cn1 1426313628 OLNQEAYEOOCUGX-GHMZBOCLSA-N 317.349 -0.007 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@@H](C)CNC(=O)CCCS(C)(=O)=O 1426713953 IBWXQKKGKVBAAA-QWRGUYRKSA-N 317.411 -0.066 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C(=O)CN1CCCNC1=O)C1CC1 1449944809 YRPRLQRGMDYCEY-NSHDSACASA-N 321.381 -0.331 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CCS(=O)(=O)C2)C1 1454338314 ZWAJBTUDIPXOKF-GWOFURMSSA-N 313.379 -0.656 30 20 DBED CC[C@H](NC(C)=O)C(=O)N(C)CCNC(=O)c1cc(C#N)c[nH]1 1455189589 BBZTZSPFZPCTIE-LBPRGKRZSA-N 319.365 -0.011 30 20 DBED CC(C)(C#N)CS(=O)(=O)NCCS(=O)(=O)N1CCCC1 1464654069 JFQBIZQXKBOLJN-UHFFFAOYSA-N 323.440 -0.119 30 20 DBED C[C@H]1C[C@@H](NC(=O)CCn2cc(C#N)c(O)nc2=O)CCN1C 1465559822 KKKCZSSOZVWVNW-JQWIXIFHSA-N 319.365 -0.190 30 20 DBED C#CCNC(=O)CN1CC[C@]2(NC(=O)CNC(=O)O)CCC[C@@H]12 1573310758 CFWWDOWZTZDNKH-IAQYHMDHSA-N 322.365 -0.883 30 20 DBED C[C@H]1CN(c2cnc(C#N)c(-c3nn[nH]n3)n2)C[C@H](C)S1=O 1576362518 BVLIMTCRVBYDHJ-YUMQZZPRSA-N 318.366 -0.126 30 20 DBED CCN(CCC#N)C(=O)CN1C[C@@H](N)[C@H](c2cnn(C)c2)C1 1577710786 ABSZGRLVFRNTPO-UONOGXRCSA-N 304.398 -0.091 30 20 DBED N#CCN1CCC(NC(=O)c2cnnn2C2CCNCC2)CC1 1580052012 DCSZCNJREQIKOV-UHFFFAOYSA-N 317.397 -0.080 30 20 DBED N#Cc1nc(NC(=O)COc2ccsn2)[nH]c1-c1nn[nH]n1 1581859918 CHYRZAVFTMLQLK-UHFFFAOYSA-N 317.294 -0.065 30 20 DBED N#Cc1ncc(N[C@@H]2CCCC[C@@H]2C(N)=O)nc1-c1nn[nH]n1 1581883078 NZBPDCUZLGABPR-JGVFFNPUSA-N 313.325 -0.016 30 20 DBED C=CCNC(=O)CNS(=O)(=O)c1cc(C)c(C(=O)O)o1 1588844865 XZVMMXOAKWVKPM-UHFFFAOYSA-N 302.308 -0.133 30 20 DBED C=CCOC[C@H](NC(=O)Cn1ccc(C(=O)O)n1)C(=O)OC 1588856096 CGXDTUFMXVKWTM-JTQLQIEISA-N 311.294 -0.558 30 20 DBED N#Cc1c[nH]c(C(=O)NCCNc2cncc(-c3nn[nH]n3)n2)c1 1592686300 HKRPPTBLUOLEFG-UHFFFAOYSA-N 324.308 -0.302 30 20 DBED COCC#CCN1C[C@@H](C)N(CC#CCOC)C[C@H]1C(=O)O 1599138195 KMPCWWHAWGHACL-CABCVRRESA-N 308.378 -0.255 30 20 DBED O=C(O)CCNC(=O)CCNC(=O)c1cccc(C#CCO)c1 1602018080 HBFMSGXUMOJYSD-UHFFFAOYSA-N 318.329 -0.259 30 20 DBED C#CCN(CC(=O)O)CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 1602695602 MAHXHDKHBZNXND-AWEZNQCLSA-N 320.393 -0.301 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCCN=c1cc[nH]c(C(=O)O)n1 1602940279 QLQDHSLIEVEPOS-ZJUUUORDSA-N 306.322 -0.284 30 20 DBED Cn1ncc2cc(S(=O)(=O)N3CCOC[C@@H]3C#N)cnc21 1645694851 NAHGNWIGXBKWSO-JTQLQIEISA-N 307.335 -0.119 30 20 DBED Cc1nn(C)c(F)c1C(=O)N1CC[C@H](NCC(=O)NCC#N)C1 1714333829 BCGLDIZAHOUZBE-JTQLQIEISA-N 322.344 -0.689 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@H]1O 1719085349 DYCIQMWYXQFNMS-JHJVBQTASA-N 313.398 -0.783 30 20 DBED COCC#CCN[C@H](CNC(=O)c1cncnc1O)C1CC1 1752469420 WRNYPFBNJDHAKE-CYBMUJFWSA-N 304.350 -0.070 30 20 DBED C#CCNC(=O)CN1CC[C@H](CNC(=O)c2cc(CC)[nH]n2)C1 1753120316 QNHDUAGCZVWHLT-GFCCVEGCSA-N 317.393 -0.227 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1CN(CCN2CCCC2=O)C1 1753401280 YPAYFITUIRBRSE-MRXNPFEDSA-N 309.410 -0.016 30 20 DBED C=CCCN1CC(CNC(=O)CCn2cc[nH]c(=O)c2=O)C1 1753412968 WAZOMSMMJNOXFJ-UHFFFAOYSA-N 306.366 -0.449 30 20 DBED C#CCNC(=O)CN1CC(N(C)C(=O)CCc2nccn2C)C1 1754579635 XMLNYZOCDIKPIZ-UHFFFAOYSA-N 317.393 -0.755 30 20 DBED C=CCNC(=O)CNC[C@@H]1CCCN1C(=O)[C@H](C)NC(C)=O 1754605373 DFSYLGWLYFZPOX-AAEUAGOBSA-N 310.398 -0.606 30 20 DBED C=CCN1CC[C@H](N2CCC[C@@](C)(CNC(=O)C(N)=O)C2)C1=O 1754729538 LVQCEBXAYIOUKI-LRDDRELGSA-N 322.409 -0.523 30 20 DBED C=CCNC(=O)CN1CC2(C1)CN(C(=O)[C@H]1CCCO1)CCO2 1755049185 RIZLKKGFNLKLSG-CYBMUJFWSA-N 323.393 -0.619 30 20 DBED C=CCN1CC(N2CCN(C(=O)CS(=O)(=O)CC)CC2)C1 1755145758 AATLCOXGXSKIEU-UHFFFAOYSA-N 315.439 -0.565 30 20 DBED CNC(=O)CN[C@@H](C)[C@@H]1CN(C(=O)CSCC#N)CCO1 1755438350 JEOYTSQIQFIWTD-QWRGUYRKSA-N 314.411 -0.805 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H](CO)CNC(=O)c1ccc(F)cc1 1755621025 GKTLNMJORYLRTH-BXUZGUMPSA-N 321.352 -0.356 30 20 DBED C=CCN[C@H](CO)CNC(=O)c1cc(-c2ccn(C)n2)on1 1755629967 ZBNUMFNUMAHDNJ-JTQLQIEISA-N 305.338 -0.059 30 20 DBED C=C1CC(C)(C(=O)NC[C@@H](CO)NCCN2CCNC2=O)C1 1755637494 AWXVGFCHIHROOD-LBPRGKRZSA-N 310.398 -0.565 30 20 DBED CC1(C)CN(C(=O)CCNS(C)(=O)=O)C[C@@H]1NCC#N 1755757843 RSNXTYRNPGIXRM-JTQLQIEISA-N 302.400 -0.724 30 20 DBED C#CCNC(=O)CNC[C@@H](O)CN(C)C(=O)c1[nH]ccc1C 1755777695 MDZXCRNBIXNEIO-GFCCVEGCSA-N 306.366 -0.905 30 20 DBED C#CCN(C)C[C@H](O)CN(C)C(=O)c1ccc2nn[nH]c2n1 1755801641 GEGCDJQKFWBINP-JTQLQIEISA-N 302.338 -0.649 30 20 DBED C#CCNC(=O)CC(=O)N(C)[C@@H](C)CNC(=O)C[C@H](C)OC 1756009582 RBSNPRNVWAOAFH-RYUDHWBXSA-N 311.382 -0.486 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H](CNC(=O)CC(N)=O)C1CC1 1756424166 JWBIOQJUYZBOIG-AGIUHOORSA-N 323.393 -0.194 30 20 DBED C=CCOCC(=O)NC[C@@H](CO)NC(=O)c1ccccc1O 1756519199 TVPVOMMCKCFAII-NSHDSACASA-N 308.334 -0.198 30 20 DBED CC(C)C#CC(=O)N[C@H](CO)CNC(=O)c1cnnc(O)c1 1756527074 CFZUQKGAEARDJJ-NSHDSACASA-N 306.322 -0.952 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@H](CO)CNC(=O)c1cnc(C)n1C 1756543337 OBXBCUYCCNUOKG-XHDPSFHLSA-N 324.381 -0.737 30 20 DBED C[C@H]1C[C@@H](NC(=O)C2(C(N)=O)CC2)CN1C(=O)C#CC1CC1 1756588909 XNYBQCKLSLQCAE-CMPLNLGQSA-N 303.362 -0.229 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H](O)[C@H](NC(=O)CCCCC)C1 1757154079 CEXVVCZTKITJMD-OLZOCXBDSA-N 323.393 -0.606 30 20 DBED N#Cc1ncn(CC(=O)N2CCC(c3nnc(O)o3)CC2)n1 1771703997 HURHZQMWLMPIIU-UHFFFAOYSA-N 303.282 -0.355 30 20 DBED CC[C@@H](NC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC#N)C2 1795721923 VODCAPOVWLWZOV-QVHKTLOISA-N 322.409 -0.122 30 20 DBED CC[C@H](CC#N)NC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 183960513 LBKAZLVUYPQPNQ-ZIAGYGMSSA-N 322.409 -0.024 30 20 DBED N#CCOc1ccc(CC(=O)N2CCO[C@@H](C(N)=O)C2)cc1 264661129 IYJYBJYUYXRQTQ-CYBMUJFWSA-N 303.318 -0.156 30 20 DBED COC(=O)[C@@H](NC(=O)C#Cc1ccc2c(c1)OCO2)[C@@H](C)O 274413914 CJDISCXBJGNCDV-OTYXRUKQSA-N 305.286 -0.195 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H](C)CCN(C)C)C1=O 286459924 JSRMEJYJALLWQV-OLZOCXBDSA-N 324.425 -0.312 30 20 DBED C=C[C@H](CO)NC(=O)[C@H]1C[C@H](C)C[C@H]1C(=O)N[C@H](C=C)CO 290713353 WYQCNNJHQDCJHK-KSTCHIGDSA-N 310.394 -0.025 30 20 DBED C[C@@](O)(C/N=C(/O)CN1CCN(S(C)(=O)=O)CC1)C1CC1 329924353 UXUPBGLFMKEKNG-CYBMUJFWSA-N 319.427 -0.319 30 20 DBED CCN(CCC/N=C(/O)N[C@@H]1CC(=O)N(C)C1)S(C)(=O)=O 331018308 MVDZUALCDNJUEI-SNVBAGLBSA-N 320.415 -0.608 30 20 DBED CNS(=O)(=O)C[C@@H]1CCCN1[C@@H](C)C(=O)N(C)CCC#N 331186461 UAHIPMJEQAEKAC-RYUDHWBXSA-N 316.427 -0.239 30 20 DBED CCN(C[C@@H]1CCCO1)S(=O)(=O)N1CCO[C@@H](C#N)C1 336928131 YQVYSYDMFQCHIE-RYUDHWBXSA-N 303.384 -0.044 30 20 DBED COCCN(CCC#N)S(=O)(=O)NC[C@@H](O)[C@H]1CCOC1 337089751 ITOQWWVLNWJUKW-NWDGAFQWSA-N 321.399 -0.920 30 20 DBED N#Cc1cccc(CNC(=O)C(=O)N2CCn3cnnc3C2)c1 340151303 IXCGWFLADRGDRS-UHFFFAOYSA-N 310.317 -0.192 30 20 DBED COC(=O)CN(CC#N)C(=O)c1nnn(-c2ccn(C)n2)c1C 340556210 HMXABKZLMUAHSP-UHFFFAOYSA-N 317.309 -0.552 30 20 DBED CN(CCC#N)S(=O)(=O)NC[C@@H]1CCCCS1(=O)=O 343990050 AILCUDAOIVPBLC-JTQLQIEISA-N 309.413 -0.366 30 20 DBED CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N[C@H](C)CC#N 345005932 TVBCXOBXJVSPTO-SNVBAGLBSA-N 318.399 -0.761 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)NCC2(O)CCOCC2)cc1 354002527 UJXFYYLFFWRROO-UHFFFAOYSA-N 317.345 -0.054 30 20 DBED CNC(=O)[C@H](CO)NS(=O)(=O)c1ccc(C#N)cc1Cl 440086308 GHZKLNXYUGZVAQ-VIFPVBQESA-N 317.754 -0.403 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(C)n(C)n2)C1=O 440287158 ZKFOERYBBOKTKF-LLVKDONJSA-N 319.365 -0.088 30 20 DBED C#CCNC(=O)c1ccc2c(c1)S(=O)(=O)N=C1N=CNN12 490634925 BELRFYFSHNMYNT-UHFFFAOYSA-N 303.303 -0.539 30 20 DBED C#CCN1CCN(C(=O)CN[C@@H]2CCOC[C@@H]2OCC)CC1 491045130 JNKOXKKSYZJZTD-CABCVRRESA-N 309.410 -0.453 30 20 DBED C#C[C@@H](CCC)NC(=O)N=c1nc(CS(C)(=O)=O)[nH]o1 491095918 NPQRDYBTCXWHHZ-QMMMGPOBSA-N 300.340 -0.041 30 20 DBED C#CCN1CCN(C(=O)CSCC(=O)OCCOC)CC1 491706632 RGHMKVNIILITLA-UHFFFAOYSA-N 314.407 -0.313 30 20 DBED CS(=O)(=O)c1ccc(NC(=O)Cn2cnc(C#N)n2)cn1 494534810 WDGVQMYMNNCRLI-UHFFFAOYSA-N 306.307 -0.413 30 20 DBED C[C@H]1OC(=O)N[C@H]1C(=O)N(CCC#N)CCN1CCOCC1 496095511 ZTDWLTAAJFXWCB-VXGBXAGGSA-N 310.354 -0.442 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@]2(C)CO)C1=O 545409287 BESJJGOHGXIPQD-CQSZACIVSA-N 309.322 -0.663 30 20 DBED COC[C@H](O)CNC(=O)C(=O)Nc1ccc(C#N)cc1OC 549789985 MDKGTCHPGLLZIH-SNVBAGLBSA-N 307.306 -0.371 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N(CCO)CCOCCO 569867696 LISZFYUEAIGYRE-GFCCVEGCSA-N 323.415 -0.984 30 20 DBED COCCN(CCC#N)S(=O)(=O)NC1(C(=O)O)CCC1 572487662 NGSGJCRLXWKWCU-UHFFFAOYSA-N 305.356 -0.310 30 20 DBED C[C@@H]1CCN(C(=O)C(=O)NC2CCN(CC#N)CC2)[C@H](CN)C1 595282741 ZWBUSFWCEMYCJV-OCCSQVGLSA-N 321.425 -0.324 30 20 DBED CN1CCCN(CCCNS(=O)(=O)N(C)CCC#N)CC1 603404731 YMJHSDKHNKFROQ-UHFFFAOYSA-N 317.459 -0.306 30 20 DBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCC1(CO)CC1 761750808 VNYUGXDRHOUIEA-UHFFFAOYSA-N 323.374 -0.386 30 20 DBED COC[C@@H](NS(=O)(=O)c1ccc(C#N)cc1OC)C(N)=O 766518486 DCCHCNSOHJAOGI-SECBINFHSA-N 313.335 -0.655 30 20 DBED C#C[C@@H](NC(=O)NCCCN1C(=O)CNC1=O)[C@@H]1CCCO1 773295017 YXPGOGRDLJAFJA-MNOVXSKESA-N 308.338 -0.592 30 20 DBED C#CC[C@@H](CO)NC(=O)CN1C(=O)NC2(CCCCC2)C1=O 816670088 LNSPVPBXAPPTES-NSHDSACASA-N 307.350 -0.259 30 20 DBED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](CO)CC#C)cc1 816670532 YPOSGARPKPXXDT-CYBMUJFWSA-N 320.370 -0.288 30 20 DBED CN(C)C(=O)CN1CCC(NC(=O)[C@@](C)(C#N)CC(=O)O)CC1 820530503 POSIPOSFJCUZJM-OAHLLOKOSA-N 324.381 -0.340 30 20 DBED N#CCCN1CCN(C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)CC1 827483717 QQLFROWSAUTITC-GFCCVEGCSA-N 316.365 -0.180 30 20 DBED C#CCn1cc(CNC(=O)Cn2nc3n(c2=O)CCCC3)cn1 834602878 FTCLKUSTMOFQDB-UHFFFAOYSA-N 314.349 -0.473 30 20 DBED C=C[C@H](C)ONC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 846542869 DHHFPZWHHHUIDH-DCAQKATOSA-N 316.379 -0.356 30 20 DBED C#CCCN(CCOC)C(=O)NC1CC(NS(C)(=O)=O)C1 854047565 FLUHZNLNHKIXOD-UHFFFAOYSA-N 317.411 -0.252 30 20 DBED N#Cc1ccc(N2CCN(C(=O)[C@H]3CCO[C@H]3CN)CC2)cn1 877296971 MSMUBRBWSFLRSV-GJZGRUSLSA-N 315.377 -0.034 30 20 DBED CNC(=O)[C@H](C#N)C(=O)CCN1C(=O)NC2(CCCC2)C1=O 917003127 RWOUBIAVSWAQEA-SECBINFHSA-N 306.322 -0.304 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)c2coc(C(N)=O)c2)C1 938301050 MDOJVCGGXBIWCK-WPRPVWTQSA-N 304.306 -0.131 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C(C)(C)C(N)=O)C1 938864641 YPYMGSHETAFWKY-TUAOUCFPSA-N 323.393 -0.194 30 20 DBED C[C@H]1CN(CC#N)CC[C@@H]1NC(=O)Cn1ccc(O)nc1=O 942315732 WKNWSSXJPYERGS-QWRGUYRKSA-N 305.338 -0.701 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CCCCN(C(=O)CC(N)=O)C2)c[nH]1 943199499 NFFXGMRAHDIQPI-LLVKDONJSA-N 317.349 -0.127 30 20 DBED CN(C(=O)c1c[nH]c(C#N)c1)C1CCN(C(=O)CC(N)=O)CC1 953881910 ABVDDHSECNODHF-UHFFFAOYSA-N 317.349 -0.175 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](CNC(=O)C2CN(C(C)=O)C2)C1 958013847 CXDYDAYJVGLKML-UKRRQHHQSA-N 309.410 -0.160 30 20 DBED N#CCN1C[C@@H](O)[C@H](CNC(=O)c2cnc3[nH]cnc3c2)C1 958105618 KNOLPTLZAYNIEN-ZYHUDNBSSA-N 300.322 -0.496 30 20 DBED N#CCN1C[C@H](CNC(=O)c2cccc(C(N)=O)c2)[C@@H](O)C1 958190297 DUFVWAQNGDTIGN-STQMWFEESA-N 302.334 -0.668 30 20 DBED C#CCCN1C[C@@H](O)[C@H](CNC(=O)c2cn(CCC=C)nn2)C1 958467571 JLELKNUTKTZLNT-UKRRQHHQSA-N 317.393 -0.100 30 20 DBED C#CCN1C[C@H](CNC(=O)c2ccc(C(N)=O)s2)[C@@H](O)C1 958476232 HJDCXVYLAKXVAC-UWVGGRQHSA-N 307.375 -0.497 30 20 DBED C=CCCN1C[C@@H](O)[C@@H](CNC(=O)c2cn(C)c(=O)nc2O)C1 958665911 DWDIIVPNRCDURT-CMPLNLGQSA-N 322.365 -0.916 30 20 DBED Cc1nc(C)c(C(=O)N(C)[C@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)[nH]1 958967642 MPTOMIRUGWBVGM-UWJYBYFXSA-N 319.365 -0.170 30 20 DBED C=C1CC(C)(C(=O)N2C[C@H]3[C@@H](C2)OCCN3C(=O)CC(N)=O)C1 960153473 WFXLOFDOCQXBKP-NWDGAFQWSA-N 321.377 -0.344 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H]2CN(C(=O)CC3(O)CCC3)C[C@@H]21 960882600 NKLUBERBJVNVMG-RWMBFGLXSA-N 321.377 -0.111 30 20 DBED N#CCN1CC[C@@H]([C@H]2CCCN(C(=O)Cn3ncnn3)C2)C1 961155086 JEBJUHRZLDWDGS-QWHCGFSZSA-N 303.370 -0.243 30 20 DBED C#CCN1C[C@H]2C(NC(=O)c3ccc(-n4cnnn4)cn3)[C@@H]2C1 961355409 GYEBJRLTJOIOPV-VXGBXAGGSA-N 309.333 -0.650 30 20 DBED C#CCCN1C[C@H]2[C@H](NC(=O)Cn3nc(C)ccc3=O)[C@H]2C1 962355790 XUZHZVNZETYWJC-VIKVFOODSA-N 300.362 -0.379 30 20 DBED CCn1nnc(C)c1C(=O)N[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1O 965782224 SFWXBXXXYKQOAL-IEBDPFPHSA-N 320.353 -0.932 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@@H](NCc2nncn2C)C1 968952142 BJPMAILKTRPVFG-KGLIPLIRSA-N 316.409 -0.397 30 20 DBED N#CCN1C[C@H]2CC[C@H]1CN2C(=O)CC[C@H]1NC(=O)NC1=O 972091671 QHAOFZHSFRJWJO-HBNTYKKESA-N 305.338 -0.827 30 20 DBED CN1CC[C@H](C(=O)N2CC[C@@]3(CN(CC#N)CCO3)C2)C1=O 972507008 SSWPXYIGJXTOCV-SWLSCSKDSA-N 306.366 -0.708 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H](CNC(=O)c2nnn(C)n2)C1 975457907 MCGZTZCEDKDZQB-NXEZZACHSA-N 305.342 -0.662 30 20 DBED Cc1ccc(=O)n(CC(=O)N[C@@H]2CN(CC#N)CC2(C)C)n1 977504489 UWQUFAADUOXEGE-GFCCVEGCSA-N 303.366 -0.098 30 20 DBED CNC(=O)[C@@H](C)N1C[C@H]2[C@H](CNC(=O)c3ccc(C#N)[nH]3)[C@H]2C1 978028381 DWYOSENCOWKPDF-JHEVNIALSA-N 315.377 -0.072 30 20 DBED CC#CCN1C[C@@H]2C(CNC(=O)c3nnc(O)nc3O)[C@H]2C1 978417147 UELDGAAHYAAZAG-NXEZZACHSA-N 303.322 -0.786 30 20 DBED C#CCN1C[C@H]2C(CNC(=O)c3ccc(S(N)(=O)=O)o3)[C@@H]2C1 978431126 VNHUQVMQPGHRNY-QWRGUYRKSA-N 323.374 -0.532 30 20 DBED C#CCCN1C[C@H]2[C@H](CNC(=O)[C@@H]3CCCN3C(N)=O)[C@H]2C1 979111519 FFEDWAISDLFMIW-FQUUOJAGSA-N 304.394 -0.153 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CCC[C@H](NC(=O)C(N)=O)C2)cn1 983670882 CHYZHTFXOJWCFP-OLZOCXBDSA-N 314.345 -0.295 30 20 DBED C#Cc1cncc(C(=O)N2CC(NC(=O)c3cc[n+]([O-])cc3)C2)c1 990146930 FFKWTKZWXCGFBZ-UHFFFAOYSA-N 322.324 -0.049 30 20 DBED CCn1cc(C(=O)N2CC(NC(=O)c3cc(C#N)c[nH]3)C2)nn1 990700103 QSNIJWZOKXYPOY-UHFFFAOYSA-N 313.321 -0.248 30 20 DBED C#CCN[C@@H]1CN(C(=O)Cn2ccc(=O)n(C)c2=O)CC1(C)C 995880340 JSWPZZNFEFYVKY-GFCCVEGCSA-N 318.377 -0.993 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)Cc3ccnn3C)C2)cn1 997090711 QTUWWKGWPRMTDE-UHFFFAOYSA-N 323.356 -0.020 30 20 DBED C=CCNC1CCN(C(=O)C2CC3(C2)NC(=O)NC3=O)CC1 997095803 PEKGGNQVUKCZMI-UHFFFAOYSA-N 306.366 -0.259 30 20 DBED C=C1CC(C)(C(=O)NC2CN(C(=O)CCn3cnnn3)C2)C1 999278234 WWTYVZNOPUKWOW-UHFFFAOYSA-N 304.354 -0.254 30 20 DBED N#Cc1cc(C(=O)NCC2CN(C(=O)Cn3cncn3)C2)c[nH]1 1001510142 YIUYKHLQOGPMQM-UHFFFAOYSA-N 313.321 -0.634 30 20 DBED COCC(=O)N1C[C@H]2C[C@H]3CN(C(=O)[C@H](C)C#N)C[C@@]3(C1)O2 1001672606 OAAQLWVEQYKWDF-NWJSVONSSA-N 307.350 -0.379 30 20 DBED C#Cc1ccc(C(=O)NCC2CN(C(=O)c3nc[nH]n3)C2)cn1 1003471353 HSJBKIFRFCGRQC-UHFFFAOYSA-N 310.317 -0.317 30 20 DBED C=CC(C)(C)C(=O)N1CC([C@H](C)NC(=O)[C@H]2CNC(=O)N2)C1 1006740818 KVJDJGNDUAAGPG-GXSJLCMTSA-N 308.382 -0.157 30 20 DBED N#Cc1ccc(C(=O)N2C[C@H]3CC[C@H]2CN3C(=O)CC(N)=O)[nH]1 1007201643 UVNPZSGGHSGSKZ-MNOVXSKESA-N 315.333 -0.423 30 20 DBED N#Cc1cc(C(=O)N2CCN(C(=O)[C@H]3COCCO3)CC2)c[nH]1 1010410160 DAGGCTNMOZZKKL-CYBMUJFWSA-N 318.333 -0.414 30 20 DBED CN1C[C@@H](C(=O)N2CCN(C(=O)C#CC3CC3)CC2)CC1=O 1011111190 DSJLTNZPBRHJLV-ZDUSSCGKSA-N 303.362 -0.451 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@@]3(NC(=O)C(N)=O)CCC[C@H]23)[nH]1 1014446923 SFKQZNXTULUWIB-NHYWBVRUSA-N 315.333 -0.375 30 20 DBED C#Cc1cncc(C(=O)N[C@H]2CCN(Cc3nnn(C)n3)C2)c1 1015678158 CMUOKGXFPRVUPS-ZDUSSCGKSA-N 311.349 -0.409 30 20 DBED O=C(C#CC1CC1)N1CC[C@H](NCCN2C(=O)CNC2=O)C1 1018830879 MRULEWMULGMNLC-LBPRGKRZSA-N 304.350 -0.858 30 20 DBED CC#CCN1CCC[C@H](CNC(=O)[C@@H]2CCS(=O)(=O)N2)C1 1023753707 MQKFEUBWYQBYEG-OLZOCXBDSA-N 313.423 -0.470 30 20 DBED C#CCN1CCC[C@@H](CNC(=O)[C@@H]2COCCN2C(C)=O)C1 1023757332 CFGVTHDZBJIJBR-GJZGRUSLSA-N 307.394 -0.305 30 20 DBED C#CCN(C)[C@@H]1CCCN(C(=O)CN2CCCS2(=O)=O)C1 1027434070 JFKMDAHZIDQEQY-CYBMUJFWSA-N 313.423 -0.422 30 20 DBED C#Cc1ccc(C(=O)NC2CN([C@@H]3CCC(=O)NC3=O)C2)cn1 1031278390 KQQNTWZJQDGNJB-CYBMUJFWSA-N 312.329 -0.718 30 20 DBED C#CCN1C[C@@H]2C[C@H]1CN2C(=O)c1coc(S(N)(=O)=O)c1 1032483245 WQUTVPGRKXJHJQ-QWRGUYRKSA-N 309.347 -0.541 30 20 DBED C=C(Cl)CN1CC[C@@H](N(C)C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 1033463468 OGHZDUAFPUVCLE-ZJUUUORDSA-N 314.773 -0.130 30 20 DBED CC#CCN1CCO[C@@H](CNC(=O)[C@H]2CCc3nn[nH]c3C2)C1 1035575259 YSGRUSBXCUHUPH-STQMWFEESA-N 317.393 -0.250 30 20 DBED C=CCN1CCO[C@H](CNC(=O)[C@@H]2COCCN2C(C)=O)C1 1035607849 XNXQFKMXEVYODB-KGLIPLIRSA-N 311.382 -0.763 30 20 DBED Cn1nc(C(=O)N2CC[C@H]3[C@H](CCN3CC#N)C2)ccc1=O 1036887078 LKSDGIHXPRXMKF-YPMHNXCESA-N 301.350 -0.160 30 20 DBED C#CCCN1CC[C@@H]2CN(C(=O)CN3C(=O)CNC3=O)CC[C@@H]21 1036887940 ADBAGEDEJWBIJV-OLZOCXBDSA-N 318.377 -0.516 30 20 DBED C#CCN1CC[C@H]2CN(C(=O)c3cn(C)c(=O)nc3O)CC[C@@H]21 1036893243 NYAGRGRSITZVEX-AAEUAGOBSA-N 316.361 -0.345 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2CCN2[C@H]2CCNC2=O)nn1 1038788960 DAESMPAKQSAIKA-PWSUYJOCSA-N 304.354 -0.843 30 20 DBED C=CCCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)CCOC)C1 1041051272 UZMMSEOVTCQBGU-LBPRGKRZSA-N 314.382 -0.306 30 20 DBED C=CCN1CC[C@]2(CCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C2)C1 1041716647 BKKXIDTYAMSACC-NHYWBVRUSA-N 306.366 -0.305 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)c2cc(=O)n(C)o2)C1 1041956869 YKCQSDVBANVVSO-UHFFFAOYSA-N 309.322 -0.752 30 20 DBED C[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1NC(=O)Cn1nccn1 1042242482 GHNGVAILIUNNJV-ZYHUDNBSSA-N 312.337 -0.419 30 20 DBED C#CCN1CC[C@@H]2CCN(C(=O)Cn3nc(C)n(C)c3=O)C[C@H]21 1042333542 PKZUKFPORGUNSX-ZIAGYGMSSA-N 317.393 -0.554 30 20 DBED CO[C@@H]1CN(c2ncccc2C#N)C[C@H]1NC(=O)c1cnon1 1042876394 DGCDIEZJMNVSRN-VXGBXAGGSA-N 314.305 -0.030 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)CC2CCC2)C1 1043040324 QTQLLFZCQOCKRX-GFCCVEGCSA-N 308.378 -0.096 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)[C@H]2CCCC(=O)N2)C1 1043512551 DQNWYXIAHLEEBD-GFCCVEGCSA-N 321.377 -0.996 30 20 DBED C=CCCOCC(=O)NCC1(O)CN(C(=O)c2cn(C)cn2)C1 1043563642 BNPFFAMEWJGMMZ-UHFFFAOYSA-N 322.365 -0.684 30 20 DBED C=CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)c2cn[nH]c2)C1 1043568562 ANKPNISUXUVMSU-SNVBAGLBSA-N 308.338 -0.696 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)c3n[nH]cc3F)C2)cn1 1044494478 TYJFNLBZUOGQII-NEPJUHHUSA-N 316.296 -0.205 30 20 DBED C#CCN[C@H]1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)[C@H](C)C1 1044624576 JNNFECGJGIJASL-OLZOCXBDSA-N 318.377 -0.851 30 20 DBED N#Cc1c(F)cccc1N1C[C@H](O)[C@H](NC(=O)c2cnn[nH]2)C1 1044787985 BYQGKXBJCXYAFI-YPMHNXCESA-N 316.296 -0.205 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)CCc2cncn2C)C1 1045547141 VVEKHOIUQMUUPO-LLVKDONJSA-N 319.365 -0.798 30 20 DBED C=CCCN1CC[C@@H](N2CCN(C(=O)[C@@H]3COC(=O)N3)CC2)C1 1046023985 AZASLOJPQBZYDQ-KGLIPLIRSA-N 322.409 -0.111 30 20 DBED C#CCN1CC[C@@H](N2CCN(C(=O)[C@H]3OCCO[C@H]3C)CC2)C1 1046036351 HUOLWQGBNBZXMH-XHSDSOJGSA-N 321.421 -0.358 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]c(C(N)=O)c2)C1 1047630049 KPFGHYRBCDWNOD-STQMWFEESA-N 304.350 -0.746 30 20 DBED C=CCOCC(=O)N(C)[C@H]1CN(C(=O)C(C)(F)F)C[C@@H]1O 1048551808 SKEIDCPEIXPCSL-UWVGGRQHSA-N 306.309 -0.126 30 20 DBED CCc1nc[nH]c1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)C#N)C1 1049393707 DIHIMBWZNZSJSF-DLOVCJGASA-N 319.365 -0.225 30 20 DBED C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)CN1C(=O)CNC1=O 1049880445 ANFZTMWNTVESDY-VXGBXAGGSA-N 304.350 -0.763 30 20 DBED CC#CCN1CCOC[C@H]1CNC(=O)c1ccc(OC)nn1 1051194462 GDLNSTQRRKTSII-GFCCVEGCSA-N 304.350 -0.061 30 20 DBED C=CCN1CCOC[C@@H]1CNC(=O)[C@@H]1CCCCN1C(N)=O 1051200899 DNMYLEAUOISKFE-STQMWFEESA-N 310.398 -0.077 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)c1cncc(C(N)=O)c1 1051249147 CFZUSTCTVFFIJU-CYBMUJFWSA-N 302.334 -0.756 30 20 DBED C#CCN1CCN([C@@H]2CCN(C(=O)c3n[nH]c(C)c3O)C2)CC1 1052014791 KMLFFTQBDYLFSB-CYBMUJFWSA-N 317.393 -0.111 30 20 DBED C=C(C)CN1CCN([C@H]2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)CC1 1052086992 WHTXWOXSVMIOHX-ZNMIVQPWSA-N 320.437 -0.098 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)CCn1cncn1)CCO2 1053157668 PHDUQPWZQQPPAT-UHFFFAOYSA-N 303.366 -0.395 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)[C@]1(CC)CCNC1=O)CCO2 1053291943 OAXAXRRQTYKXKE-QGZVFWFLSA-N 319.405 -0.161 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCC2(CN(CCO)C2)O1 1053610200 JKWULZLJCUWLCP-CABCVRRESA-N 321.421 -0.574 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)CN3CCCNC3=O)CO2)C1 1053857838 PVFOKTQWOBXJMW-CYBMUJFWSA-N 320.393 -0.616 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)c3cccn(C)c3=O)CO2)C1 1053985504 RPZYPKLJAOGPHH-ZDUSSCGKSA-N 315.373 -0.018 30 20 DBED CC(=O)N1CCC(C(=O)N[C@H]2COC3(C2)CN(CC#N)C3)CC1 1054003787 ASXYLQRMODKRMS-CQSZACIVSA-N 320.393 -0.272 30 20 DBED C[C@H](C#N)C(=O)N[C@@]1(CO)CCCN(C(=O)c2nc[nH]n2)C1 1056097980 YAPZPFDCEVGFOW-RNCFNFMXSA-N 306.326 -0.952 30 20 DBED CN1CCC[C@@H]1C(=O)NC1[C@H]2CN(c3ccc(C#N)nn3)C[C@H]12 1056150620 UNIFBWBIEPJKTO-RWMBFGLXSA-N 312.377 -0.007 30 20 DBED N#Cc1cnccc1N1C[C@H]2[C@H](NC(=O)[C@@H]3CCC(=O)N3)[C@H]2C1 1056263661 QLXIGKQLXHFFGM-OZTPJHRESA-N 311.345 -0.217 30 20 DBED C=CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCCN2C(=O)C(N)=O 1056538576 WMYSYJLOZFMBIQ-WOPDTQHZSA-N 309.366 -0.345 30 20 DBED CN(c1ccc(C#N)nn1)[C@@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 1056998168 QSYILRDCADZUSH-VXGBXAGGSA-N 314.349 -0.479 30 20 DBED Cc1cnn(CC(=O)N(CCO)CCNC(=O)C#CC(C)C)c1 1057115988 NUKXYBPZFVDWBB-UHFFFAOYSA-N 320.393 -0.212 30 20 DBED C[C@@H](C(=O)N(CCO)CCNC(=O)C#CC1CC1)n1cncn1 1057382456 FKJPLMJMTANYDO-LBPRGKRZSA-N 319.365 -0.810 30 20 DBED C=C[C@@](C)(O)CC(=O)N(CCO)CCNC(=O)[C@@H]1CCCO1 1057450398 PSQIZUAUPKPBSR-SWLSCSKDSA-N 314.382 -0.570 30 20 DBED Cc1nccc(C(=O)NCCN(CCO)C(=O)C#CC(C)C)n1 1057524641 LNCZPIXLGNVGKG-UHFFFAOYSA-N 318.377 -0.005 30 20 DBED C#CCOCCC(=O)N(CCO)CCNC(=O)c1cc(C)no1 1057580280 BPJVOJBTCDOREA-UHFFFAOYSA-N 323.349 -0.426 30 20 DBED C=CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)Cn1ccnc1 1057998908 MMHHCSIPRZQXBA-ZDUSSCGKSA-N 324.381 -0.589 30 20 DBED C=C[C@H](C)[C@H](C)C(=O)NCCN(CCO)C(=O)c1cnn(C)n1 1058095491 IUSSVZWIPXQFNJ-RYUDHWBXSA-N 323.397 -0.176 30 20 DBED N#Cc1ccc(N2CCC[C@@H](NC(=O)Cn3cnnn3)C2)nn1 1058118294 CNEWTFLWCGSKFT-LLVKDONJSA-N 313.325 -0.880 30 20 DBED N#Cc1nccnc1N1CCC[C@H](NC(=O)[C@H]2COC(=O)N2)C1 1058152202 MFPGBJLWOZVORX-GXSJLCMTSA-N 316.321 -0.458 30 20 DBED N#Cc1cnc(N2CC[C@H](NC(=O)[C@H]3COC(=O)N3)C2)cn1 1058350677 QUAMKABNZAQNML-WCBMZHEXSA-N 302.294 -0.848 30 20 DBED N#Cc1cnc(N2CC[C@H](NC(=O)C[C@@H]3CCNC3=O)C2)cn1 1058465292 OVBXLUBSXLUIRA-QWRGUYRKSA-N 314.349 -0.431 30 20 DBED CN1CC[C@@H](C(=O)N2CC[C@H](Nc3ccc(C#N)nn3)C2)C1=O 1059031887 MGOYCMREQFAVBK-NWDGAFQWSA-N 314.349 -0.161 30 20 DBED N#Cc1ccc(NC[C@@H]2CCN(C(=O)Cn3nccn3)C2)nn1 1060925550 QGSCAQMOVFBSAB-NSHDSACASA-N 312.337 -0.100 30 20 DBED CO[C@H](C)C(=O)NC[C@@H]1COCCN1C(=O)CSCC#N 1061362769 KZDQIFWEPAZCRX-GHMZBOCLSA-N 315.395 -0.378 30 20 DBED CC(=O)NCC(=O)N1CCOC[C@@H]1CNC(=O)C#CC(C)(C)C 1061573899 ZERHQAZYQUCLGN-ZDUSSCGKSA-N 323.393 -0.484 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H]1COCCN1C(=O)c1cn[nH]c1 1061585493 XGKLWVSKYYLXRK-YPMHNXCESA-N 320.349 -0.595 30 20 DBED C=CCC(CC=C)C(=O)NC[C@@H]1COCCN1C(=O)CC(N)=O 1061611111 DSRZKRGMGFMTJI-CYBMUJFWSA-N 323.393 -0.026 30 20 DBED N#Cc1cccnc1N1CC[C@H](CNC(=O)[C@H]2CNC(=O)N2)C1 1061718073 PWMNEYUWKMRKKC-ZYHUDNBSSA-N 314.349 -0.423 30 20 DBED C#CCCCC(=O)N1CCOC[C@@H]1CNC(=O)Cn1cncn1 1061917758 NVWXTWMVWYUPFA-ZDUSSCGKSA-N 319.365 -0.575 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(NC(=O)Cn2nccn2)CCC1 1062867311 ZZIVMAZBJRDVRX-AWEZNQCLSA-N 321.381 -0.240 30 20 DBED CN(C(=O)c1cn(C)nn1)[C@@H]1CCN(c2cncc(C#N)n2)C1 1062925098 OWPAUGKFMYUDLD-LLVKDONJSA-N 312.337 -0.172 30 20 DBED CN(C(=O)Cn1cncn1)[C@@H]1CCN(c2ccc(C#N)nn2)C1 1062932763 GNSFVORMDNPKEA-GFCCVEGCSA-N 312.337 -0.323 30 20 DBED CC(C)(C(N)=O)C(=O)N1CCC[C@@H]1CN=c1cc[nH]c(C#N)n1 1063525369 ABEZTLPWWDVLHH-SNVBAGLBSA-N 316.365 -0.315 30 20 DBED C[C@H](N=c1cc[nH]cc1C#N)[C@H]1CCCN(C(=O)C(N)=O)C1 1063903848 CQMBHRJQDVVRRS-QWRGUYRKSA-N 301.350 -0.101 30 20 DBED Cc1nc(CC(=O)N[C@H]2[C@H]3C[C@H]2N(c2ccnc(C#N)n2)C3)n[nH]1 1064249566 CSCVKWFWQLIPGH-WMFXKJRFSA-N 324.348 -0.289 30 20 DBED C=CCOCC(=O)N1CCO[C@H](CNC(=O)c2nonc2C)C1 1064974364 RRVVRYOZFYOZPT-LLVKDONJSA-N 324.337 -0.462 30 20 DBED CC(C)[C@@H](O)C(=O)NC[C@H]1CN(C(=O)C#CC2CC2)CCO1 1065134994 PUXCNKDFOKGVLN-DZGCQCFKSA-N 308.378 -0.240 30 20 DBED Cn1cnc(C(=O)N[C@]2(C)CCN(c3ccc(C#N)nn3)C2)n1 1065247427 DTFWYPODFNFMHI-CQSZACIVSA-N 312.337 -0.124 30 20 DBED C=CCOCC(=O)N1CCC[C@H](NC(=O)c2nnn(C)n2)CC1 1066410519 YUZMWSZYCXKPDL-NSHDSACASA-N 322.369 -0.476 30 20 DBED C[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@@H]1Nc1cnc(C#N)cn1 1067048579 CRFFBPMPEZXFFD-KOLCDFICSA-N 323.378 -0.348 30 20 DBED C[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@@H]1Nc1nccnc1C#N 1067049064 INYKBUAKTVAXAO-KOLCDFICSA-N 323.378 -0.348 30 20 DBED C=C(C)C[C@H](C)C(=O)N1CC2(CN(C(=O)C(N)=O)CCO2)C1 1068448756 RNEHWIABIKPLNU-NSHDSACASA-N 309.366 -0.486 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC2(CN(C(=O)CCN(C)C)C2)C1 1068451444 MCTFVPDHOKIQAB-LBPRGKRZSA-N 308.382 -0.462 30 20 DBED C[C@@H]1C[C@H](N=c2cc[nH]cc2C#N)CN1C(=O)Cn1ncnn1 1069153145 UXWXFLDMHSQMBS-PWSUYJOCSA-N 312.337 -0.537 30 20 DBED CN(C(=O)[C@H]1CCNC1=O)C1CC(N=c2cc[nH]c(C#N)n2)C1 1069788177 YOKOLFDKVDPJLZ-ILDUYXDCSA-N 314.349 -0.692 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2cc(C)ncn2)C1 1069910466 WCTVTQIAIRADAH-KGLIPLIRSA-N 311.349 -0.335 30 20 DBED CC#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)Cc2nc[nH]n2)C1 1070072891 VLDYPABFWZBQAN-NEPJUHHUSA-N 314.353 -0.996 30 20 DBED C=CCN1CC[C@H](N[C@@H]2CN(C(C)=O)C[C@@H]2n2ccnn2)C1=O 1070114878 KLFIUJYSMLCFHT-MJBXVCDLSA-N 318.381 -0.574 30 20 DBED N#CCN[C@@H]1CN(C(=O)C[C@@H]2CCCO2)C[C@@H]1n1ccnn1 1070145584 JDVGRHZYGVNTKY-XQQFMLRXSA-N 304.354 -0.288 30 20 DBED C#CCN[C@@H]1CN(C(=O)Cn2cc(C)cn2)C[C@@H]1n1ccnn1 1070152212 PUXUHPWICCVBOK-KGLIPLIRSA-N 313.365 -0.542 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2cnn(C)c2)C[C@H]1c1cn(C)cn1 1070465987 NLPWXBYWKMUSAG-DZGCQCFKSA-N 312.377 -0.015 30 20 DBED N#CCN1CCOC[C@H]1c1n[nH]c(CNC(=O)c2cnon2)n1 1070591269 AKMRQVUJLZCZIN-VIFPVBQESA-N 318.297 -0.985 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)c4cc(=O)n(C)o4)C[C@@]3(C1)O2 1070792267 QPUQAGZLWMJBDK-XHBSWPGZSA-N 317.345 -0.473 30 20 DBED CC#CCN1CC[C@]2(C1)CN(C(=O)C1(C(N)=O)CC1)C[C@H](C)O2 1071205892 AHFTUTXMDHRFHZ-BBRMVZONSA-N 319.405 -0.033 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CCCN(C(=O)Cc2nc[nH]n2)C1 1071376827 CEHZOGDNVNNXFP-VXGBXAGGSA-N 319.365 -0.507 30 20 DBED C[C@H]1CN(C(=O)CSCC#N)C[C@@H]1NC(=O)c1nnn(C)n1 1071659347 WJAUBUKKPQLTKM-IUCAKERBSA-N 323.382 -0.956 30 20 DBED C[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1NC(=O)C#CC1CC1 1071727190 VJFNGLFRXUEVHH-ZYHUDNBSSA-N 312.391 -0.593 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](C)[C@@H](NC(=O)CCn2cnnn2)C1 1072038088 AEKXIABPGBQVQG-OLZOCXBDSA-N 318.381 -0.314 30 20 DBED C[C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1NC(=O)C#CC1CC1 1072184270 SVKFERCRYHRZOV-DGCLKSJQSA-N 301.350 -0.345 30 20 DBED C#CCCN1CCO[C@@H]2CCN(C(=O)c3nccnc3N)C[C@@H]21 1074195637 XXBMJPBBQVSMBH-QWHCGFSZSA-N 315.377 -0.003 30 20 DBED COc1cnc(C(=O)N2CC[C@@H]3OCCN(CC#N)[C@@H]3C2)nc1 1074294225 KAHQQZKDOSGUAZ-OLZOCXBDSA-N 317.349 -0.076 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)Cc3nonc3C)C[C@H]21 1074370513 BJQIATSWASOCPB-ZIAGYGMSSA-N 304.350 -0.145 30 20 DBED N#CCN1CCO[C@H]2CCN(C(=O)C34CCN(CC3)C4)C[C@H]21 1074385847 XUCUULWUMSBZNH-KGLIPLIRSA-N 304.394 -0.093 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@@H]3OCCN(CCO)[C@@H]3C2)cn1 1074387314 JBEBZVFQILQTTC-CVEARBPZSA-N 315.373 -0.030 30 20 DBED C=CCCC(=O)N1CCC(O)(CNC(=O)[C@H]2CCNC2=O)CC1 1074511348 FEKGZVLMRAADDV-LBPRGKRZSA-N 323.393 -0.442 30 20 DBED C#CCOCCC(=O)NCC[C@H](C)NC(=O)[C@@H]1CCN(C)C1=O 1076507604 NNLZOIXSZBFLMA-STQMWFEESA-N 323.393 -0.484 30 20 DBED C=CCN1C[C@@H]2CCN(C(=O)Cn3nc(C)n(C)c3=O)[C@@H]2C1 1076516713 AUMDMGRUGGMPKO-QWHCGFSZSA-N 305.382 -0.391 30 20 DBED CCC(CC)N1C[C@H](C(=O)N[C@@H]2CN(CC#N)C[C@H]2O)CC1=O 1077083658 CGURMCIEFGWQCP-MRVWCRGKSA-N 322.409 -0.292 30 20 DBED C[C@H](C#N)C(=O)N1CCCO[C@@H](CNCc2nc(O)n[nH]2)C1 1078358406 PJZKMTJGSQTJNR-ZJUUUORDSA-N 308.342 -0.623 30 20 DBED C#CCNC(=O)CC(=O)N(CC)C1CN(C(=O)c2cn[nH]c2)C1 1079644961 ZBLGAVYACQWAPN-UHFFFAOYSA-N 317.349 -0.778 30 20 DBED C=C[C@](C)(O)CC(=O)N(CC)C1CN(C(=O)c2nnn(C)n2)C1 1079690547 XPMBQZYNBLVRGS-AWEZNQCLSA-N 322.369 -0.790 30 20 DBED CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)c2ccc(=O)n(C)n2)C1 1080416692 QBORETJPGCNSEX-SNVBAGLBSA-N 317.349 -0.387 30 20 DBED C[C@@H](C#N)C(=O)NC1(CO)CCN(C(=O)CCCC(N)=O)CC1 1080983546 QSBFRZDNMSDTSA-NSHDSACASA-N 324.381 -0.729 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)c2cn(C)c(O)n2)C[C@H]1O 1081335579 MMPZJUMXGODOJN-CMPLNLGQSA-N 322.365 -0.359 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)COCC)C[C@H]1O 1081343943 JVEDHOYWNNVDMA-VXGBXAGGSA-N 300.355 -0.839 30 20 DBED C=CCCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)Cn2cncn2)C1 1081787313 DOPVYRZCHMNFBF-CHWSQXEVSA-N 321.381 -0.430 30 20 DBED C[C@@H]1CN(C(=O)[C@@H]2CN3CC4CC3(CO2)C4)C[C@H]1NCC#N 1082653361 HFGPCUPGASKTFK-JCLLTIBYSA-N 304.394 -0.190 30 20 DBED C=CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H](C)S(C)(=O)=O 1083121916 KHWUFBXBCLLFHU-GRYCIOLGSA-N 302.396 -0.483 30 20 DBED Cn1cncc1CCC(=O)N1CCO[C@@H]2CN(CC#N)C[C@@H]21 1083262215 IWNZSLDYUCONFH-UONOGXRCSA-N 303.366 -0.212 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)c2ccc(=O)n(CCC)n2)C1 1084047567 KWDKLLRSDLCVAP-KGLIPLIRSA-N 318.377 -0.549 30 20 DBED CC(=O)N1CCO[C@H](C(=O)N2CC[C@H]3CCN(CC#N)[C@H]3C2)C1 1085085204 DYZZKWWJRHNGFJ-ILXRZTDVSA-N 320.393 -0.320 30 20 DBED CC#CCN1CC[C@H]1CN(C)C(=O)[C@@H]1COCCN1C(C)=O 1085979529 VGYXDKKOQQLWKA-GJZGRUSLSA-N 307.394 -0.210 30 20 DBED C=CCN1CC[C@H](NC(=O)[C@H]2CCN(C)S2(=O)=O)[C@H]1C 1088913696 LFIUHMNPMOFXRS-GRYCIOLGSA-N 301.412 -0.215 30 20 DBED CC[C@H](C)OCC(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1O 1090410391 ZQKFWPOFAXSXFC-CYZMBNFOSA-N 319.365 -0.171 30 20 DBED Cc1cc(N2C[C@@H](O)[C@H](NC(=O)C#CC3CC3)C2)nc(CO)n1 1090412863 FFJSOYNSHUMPHB-CHWSQXEVSA-N 316.361 -0.644 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2coc(C(N)=O)c2)[C@@H](O)C1 1090449606 RGPHENIISVIEPV-RYUDHWBXSA-N 305.334 -0.433 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cn3nccc3nc2C)[C@@H](O)C1 1090687952 AXZLEKQKJJFQEZ-KBPBESRZSA-N 313.361 -0.164 30 20 DBED C=CCOc1cccnc1C(=O)N[C@H]1CCN(CCO)C[C@H]1O 1090716276 NAKSGOPQSZOMSP-QWHCGFSZSA-N 321.377 -0.196 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2cccnc2C(N)=O)[C@H](O)C1 1090822768 CUIZMBCLLPFLDJ-QWHCGFSZSA-N 316.361 -0.631 30 20 DBED CNC(=O)CC(=O)N1C[C@@H](Nc2nccnc2C#N)[C@H](C)C1 1090968310 ZALXTNPUCIWGBJ-MWLCHTKSSA-N 302.338 -0.257 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(c2nccnc2F)C[C@@H]1O 1091092259 FKPVKNFSDBOVGN-BFVZDQMLSA-N 310.329 -0.392 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(c2cncc(C#N)n2)C[C@H]1O 1092153256 FITVYYGKDISBHU-CHWSQXEVSA-N 317.349 -0.393 30 20 DBED CCc1nc(C#N)cc(NCCNC(=O)[C@H]2CCNC(=O)C2)n1 1093546410 GWKQMONMPWEFTH-JTQLQIEISA-N 316.365 -0.035 30 20 DBED COc1c(C(=O)NCCN=c2cc[nH]c(C#N)n2)cnn1C 1093790011 HYHRPJHDVQQDMN-UHFFFAOYSA-N 301.310 -0.646 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)c3cn(C)nc3C)CC2=O)C1 1094713861 KFPOXUVQMHPHAS-LBPRGKRZSA-N 315.377 -0.623 30 20 DBED Cn1cc(C(=O)NCCCN=c2cc[nH]c(C#N)n2)nc1O 1094770087 YEGIUZFIHRLGAU-UHFFFAOYSA-N 301.310 -0.559 30 20 DBED C=C[C@](C)(O)CC(=O)NCCCN(C)c1nccn2nnnc12 1095527904 TZNWBRXRJHIHIU-AWEZNQCLSA-N 319.369 -0.211 30 20 DBED CN(CCCNC(=O)[C@@H]1COC(=O)N1)c1nccnc1C#N 1095546948 NCZOOWZRDMVUBK-JTQLQIEISA-N 304.310 -0.601 30 20 DBED N#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cn1ccc(O)nc1=O 1095703183 MMSGNSIPPOFFHI-VWYCJHECSA-N 303.322 -0.806 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CCN(c2ccc3nnnn3n2)C1 1096441895 KNGXDKWXZUHBIL-GHMZBOCLSA-N 315.337 -0.748 30 20 DBED N#Cc1cccnc1N[C@H](CNC(=O)Cn1ncnn1)C1CC1 1096730662 FLZBSVLWCKMUNT-GFCCVEGCSA-N 312.337 -0.053 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1C[C@@H](Nc2nccnc2F)C1 1097176854 YQTVXONLPRSSNM-AOOOYVTPSA-N 305.313 -0.186 30 20 DBED CS(=O)(=O)CCC(=O)N[C@H]1C[C@@H](N=c2cc[nH]c(C#N)n2)C1 1097264707 CBSVKWQEMWKSPF-AOOOYVTPSA-N 323.378 -0.736 30 20 DBED C[C@H](CNC(=O)[C@H]1C[C@H]1C(=O)N(C)C)Nc1cnc(C#N)cn1 1098269265 HSZIABKIWNUZOS-ADEWGFFLSA-N 316.365 -0.011 30 20 DBED COCC(=O)N(C)CC(=O)NC[C@H](C)Nc1cncc(C#N)n1 1098329868 QDCKNOAZLPXDHT-JTQLQIEISA-N 320.353 -0.630 30 20 DBED N#CCN(CCO)C1CCN(C(=O)CNC(=O)C2CCC2)CC1 1098570656 FYFVYJUJWKKDGA-UHFFFAOYSA-N 322.409 -0.288 30 20 DBED C#CCCCCC(=O)N[C@H]1CCN(CCOCCO)C[C@H]1O 1099787313 VTIWDGSIEVURPE-LSDHHAIUSA-N 312.410 -0.260 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)C2(COC)CC2)[C@H](O)C1 1099920760 DSAWWQSGCNWMFT-ZIAGYGMSSA-N 310.394 -0.386 30 20 DBED CC(C)CCC(=O)NCC(=O)N[C@@H]1CCN(CC#N)C[C@H]1O 1100037168 VIYCZMGKLZBLKC-CHWSQXEVSA-N 310.398 -0.386 30 20 DBED C#CCNC(=O)CC(=O)NCCN(C)c1ncnc2[nH]cnc12 1100037726 PSADIGHFCIEOJB-UHFFFAOYSA-N 315.337 -0.955 30 20 DBED C=CCNC(=O)[C@H](C)NC1CC(CNC(=O)c2cn(C)nn2)C1 1100297918 PFPISDKWBIRWJI-UNXYVOJBSA-N 320.397 -0.396 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)CO[C@H]2CCOC2)C1 1100327345 CGDCQYLPPUJYMB-RUXDESIVSA-N 323.393 -0.974 30 20 DBED Cn1nnc(C(=O)NCCN(c2ccc(C#N)nn2)C2CC2)n1 1101423899 QHISRQOYWHRACG-UHFFFAOYSA-N 313.325 -0.729 30 20 DBED CN(CCNc1cnc(C#N)cn1)C(=O)C(=O)NCC(F)F 1101852870 MPBPGKKCCZPHNP-UHFFFAOYSA-N 312.280 -0.400 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1CNC(=O)[C@@]12COC[C@@H]1C2 1101982677 CSRKHIWJYDQJMM-FOCJUVANSA-N 320.393 -0.653 30 20 DBED C[C@@H]1[C@H](C(=O)N(C)CCN=c2cc[nH]c(C#N)n2)CCN1C 1101997350 MPEKQEMMOWZQDM-VXGBXAGGSA-N 302.382 -0.019 30 20 DBED COC[C@H](OC)C(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(C#N)cn1 1102571192 MGRKYIJFPQEBMR-AVGNSLFASA-N 317.349 -0.201 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)Cn1cncn1 1103968848 AFVJQZUEJQOPMH-SNVBAGLBSA-N 300.326 -0.774 30 20 DBED C[C@@H]1CN(C(=O)CC(C)(C)O)C[C@H]1CCNCC(=O)NCC#N 1104133043 MTKHEKLNBVIHMW-CHWSQXEVSA-N 324.425 -0.139 30 20 DBED C#CCOCCC(=O)NC[C@H]1CN(c2cnc(F)cn2)CCO1 1104330779 XINCSEWXBINTMA-LBPRGKRZSA-N 322.340 -0.023 30 20 DBED CNC(=O)CCCC(=O)N1CC(n2cc(CNCC#N)nn2)C1 1105219598 HHWUVFLHWVBOBV-UHFFFAOYSA-N 319.369 -0.809 30 20 DBED CC(C)[C@H](CNC(=O)[C@@H]1CNC(=O)N1)Nc1ccc(C#N)nn1 1105278343 YYCGEOPSCJJAJB-QWRGUYRKSA-N 317.353 -0.418 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC(n2cc(CNCC#N)nn2)C1 1105380821 HBLQJDAWVCEXAF-NSHDSACASA-N 304.354 -0.134 30 20 DBED CN(CCN(C)c1ccnc(C#N)n1)C(=O)c1cc(=O)n(C)o1 1105381817 PZHQZFPKNFXTMS-UHFFFAOYSA-N 316.321 -0.152 30 20 DBED CN(CCN(C)c1nccnc1C#N)C(=O)C[C@@H]1CCC(=O)N1 1105430664 RWNVFRPACWUDOC-NSHDSACASA-N 316.365 -0.088 30 20 DBED C#CCCN[C@@H]1C[C@@]2(C[C@H]1O)CN(C(=O)C(N)=O)[C@@H]2C(C)C 1105651918 JZTIUXLVPYAZJP-BRXULGCHSA-N 307.394 -0.539 30 20 DBED Cn1ccc(CC(=O)NC[C@H](O)CNc2ccc(C#N)nn2)n1 1105818426 KWNXOIBEPKTSQP-GFCCVEGCSA-N 315.337 -0.787 30 20 DBED CN1CC[C@H](C(=O)NC[C@H](O)CNc2ncccc2C#N)C1 1105853364 MRXWIMIONSZOCB-QWHCGFSZSA-N 303.366 -0.206 30 20 DBED Cn1ncc(C(=O)NC[C@H](O)CNc2ccc(C#N)nc2)n1 1105898822 SGYRJNPIXZWYSQ-LLVKDONJSA-N 301.310 -0.715 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)Cc2ncc[nH]2)nc1 1105937300 IRGWXMGXZHXCNQ-NSHDSACASA-N 300.322 -0.192 30 20 DBED CO[C@H](C(=O)NC[C@@H](O)CNc1nccnc1C#N)C(C)C 1106092949 QTACBCXFUHKSAC-JQWIXIFHSA-N 307.354 -0.092 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](C)[C@H](CNCC(=O)NCC#N)C1 1106098002 HWJNPMDITKGAEJ-ZIAGYGMSSA-N 304.394 -0.030 30 20 DBED N#Cc1nc(=NC[C@H](O)CNC(=O)Cc2cscn2)cc[nH]1 1106125754 AINFDMJVOKTCKG-JTQLQIEISA-N 318.362 -0.642 30 20 DBED C=C(C)CNC[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)C[C@H]1C 1106959009 DRYKEIHRSZZPHL-VXGBXAGGSA-N 308.382 -0.202 30 20 DBED C[C@]1(C(=O)NC/C=C/CN=c2cc[nH]cc2C#N)CCNC1=O 1107508839 QKYVUDTUERVAAR-WOMSROEHSA-N 313.361 -0.014 30 20 DBED CNC(=O)NCC(=O)NC/C=C\CNc1ncccc1C#N 1107569341 CTQPUTFEPWBUQH-IHWYPQMZSA-N 302.338 -0.033 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)[C@@H]2COCCN2CC)C1 1108039769 FZITWJSORNHSBY-GOEBONIOSA-N 309.410 -0.453 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)[C@]2(C)CCC(=O)NC2)C1 1108153320 NCERZPFVATWGGA-HZPDHXFCSA-N 307.394 -0.257 30 20 DBED C=C(C)CN1CC(N2C[C@@H](NC(=O)[C@H](C)NC(N)=O)CC2=O)C1 1108537736 UFQFDWSJUCYJTC-QWRGUYRKSA-N 323.397 -0.979 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)CC3(OC)CCC3)CC2=O)C1 1108541335 UBUJXSRVTUYCEU-ZDUSSCGKSA-N 319.405 -0.020 30 20 DBED C#CCCN1CC(N2C[C@@H](NC(=O)C3(COC)CC3)CC2=O)C1 1108557580 UXHJANZSXJJZJN-ZDUSSCGKSA-N 319.405 -0.162 30 20 DBED C[C@@H](CN(C)c1cnc(C#N)cn1)NC(=O)C1CS(=O)(=O)C1 1109117461 ZLMQMOBDASZIHX-VIFPVBQESA-N 323.378 -0.666 30 20 DBED CN(CCCNc1cncc(C#N)n1)C(=O)[C@@H]1COC(=O)N1 1109424601 MJMYBLXEXZBCOO-JTQLQIEISA-N 304.310 -0.283 30 20 DBED C#CCNC(=O)CC(=O)NCC1(Nc2ccc(C#N)nn2)CC1 1110105926 WNLPJSHIQUULTL-UHFFFAOYSA-N 312.333 -0.452 30 20 DBED CC[C@@H](OC)C(=O)N(C)[C@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1111178775 FWUAZJPARXUSGK-RWMBFGLXSA-N 319.365 -0.219 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@]1(C)CCOC1 1111182915 HLTGTAHRPDOGTP-WVZRYYJFSA-N 319.405 -0.116 30 20 DBED CCCOCC(=O)N(C)[C@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1111184630 WVGUAMGLVMYODH-RYUDHWBXSA-N 319.365 -0.217 30 20 DBED N#Cc1ccc(NCCN(CCO)C(=O)c2cnccn2)nn1 1111412014 YNOZMJNQVHNUGH-UHFFFAOYSA-N 313.321 -0.315 30 20 DBED N#CCN1C[C@@H]2CCC[C@]2(NC(=O)CCCS(N)(=O)=O)C1 1111859225 VEEJWZPPIRALFM-AAEUAGOBSA-N 314.411 -0.451 30 20 DBED C[C@H]1CN(C(=O)CNC(N)=O)C[C@H]1Nc1cnc(C#N)cn1 1112306971 PKCAZKXTULNJLG-WCBMZHEXSA-N 303.326 -0.725 30 20 DBED C#CCOCCC(=O)N1C[C@@H]2CCC[C@]2(CNCC(N)=O)C1 1112352571 RHUMBFFKDMZHQG-BBRMVZONSA-N 307.394 -0.270 30 20 DBED COCCC(=O)NC[C@H]1CN(c2ncccc2C#N)C[C@@H]1O 1112688061 ADGKCCDDOZIYSL-STQMWFEESA-N 304.350 -0.097 30 20 DBED C[C@H](N=c1cc[nH]c(C#N)n1)[C@H](C)NC(=O)C1(C(N)=O)CC1 1113273301 AHMFKSAFOZGIAY-IUCAKERBSA-N 302.338 -0.659 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)C[C@@H]2CC[C@H](C)O2)CC1 1113294933 XIVXPGICKKPGCD-KBPBESRZSA-N 307.394 -0.162 30 20 DBED C[C@H]1CCN(c2nccnc2C#N)C[C@H]1NC(=O)CC(N)=O 1114007054 CMGQBLRFYORRIL-GXSJLCMTSA-N 302.338 -0.445 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3ccncc3F)[C@H]2C1 1114090725 JETYXAZAXQGWGM-JYAVWHMHSA-N 316.336 -0.370 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)c3ocnc3C)[C@H]2C1 1114104160 XFVQWANKBUIJAS-WUHRBBMRSA-N 316.361 -0.219 30 20 DBED CC(C)C#CC(=O)N[C@H]1[C@@H]2CN(C[C@H](O)Cn3cccn3)C[C@@H]21 1114234892 SREAPJLIXYDYHZ-LJIGWXMPSA-N 316.405 -0.050 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H]1[C@@H]2CN(Cc3nc(C)no3)C[C@@H]21 1114271524 WSRQHIMUYFLZRV-PQFRYHKHSA-N 304.350 -0.037 30 20 DBED N#Cc1ccc(N2C[C@H]3CC[C@H]2CN3C(=O)CNC(N)=O)nn1 1114380562 IQSJSPZURLDYJA-WDEREUQCSA-N 315.337 -0.804 30 20 DBED C=CCOCCN1C[C@H]2C(NC(=O)[C@H]3CCCNC3=O)[C@@H]2C1 1114433203 ILLTVQNWSGUVPI-YNEHKIRRSA-N 307.394 -0.238 30 20 DBED C=CCCCN1C[C@@H]2C(NC(=O)Cn3ccc(O)nc3=O)[C@H]2C1 1114528750 BQBJCXYLFCTEMM-RYUDHWBXSA-N 318.377 -0.039 30 20 DBED CCOCC(=O)N1CCO[C@@H]([C@H](C)N=c2cc[nH]c(C#N)n2)C1 1114628142 JOQZPDPFYYOGAD-NWDGAFQWSA-N 319.365 -0.166 30 20 DBED CO[C@@H](C)C(=O)NCCOCCN(C)c1ccc(C#N)nn1 1115183434 LWXLMTYPCUWQAV-NSHDSACASA-N 307.354 -0.048 30 20 DBED C=CCCOCC(=O)NC1[C@@H]2CN([C@@H]3CCC(=O)NC3=O)C[C@@H]12 1115330991 YCCYIAFAFGIXJJ-IJLUTSLNSA-N 321.377 -0.569 30 20 DBED CC#CCNC(=O)Cn1nc(C(=O)NCC#CC)ccc1=O 1116674958 NPFWDJDUXYGPKM-UHFFFAOYSA-N 300.318 -0.864 30 20 DBED C=CCN1CC[C@H](OC(=O)Cn2ncn3nccc3c2=O)C1=O 1116901792 SYDNTDDNMLPDRO-NSHDSACASA-N 317.305 -0.779 30 20 DBED N#Cc1cccc(CNC(=O)C(=O)NCCCn2cncn2)c1 1119128478 DLEUVAOEUSCZIA-UHFFFAOYSA-N 312.333 -0.028 30 20 DBED Cn1ccc(C(=O)NC[C@@H](CO)Nc2nccnc2C#N)c1 1121295559 GKGHVXUSJJIUDL-NSHDSACASA-N 300.322 -0.110 30 20 DBED Cc1[nH]nc(C(=O)NC[C@H](CO)Nc2ncccc2C#N)c1O 1121453314 BQLANNIYUWAKJA-SNVBAGLBSA-N 316.321 -0.107 30 20 DBED COCCCOCC(=O)NC[C@@H](CO)Nc1ccc(C#N)cn1 1122052487 KYGAJTGRLDPFAK-ZDUSSCGKSA-N 322.365 -0.105 30 20 DBED N#Cc1cnc(N[C@@H](CO)CNC(=O)Cc2cncs2)cn1 1122152865 KZUJFQGEWTZTSV-SNVBAGLBSA-N 318.362 -0.064 30 20 DBED CC(C)(C(N)=O)C(=O)NC[C@@H](CO)Nc1ccc(C#N)cn1 1122197482 FFZQHJQCUHYZIA-JTQLQIEISA-N 305.338 -0.646 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)C2(C(N)=O)CC2)nc1 1122452446 RFAPUQJTETXSJX-SNVBAGLBSA-N 303.322 -0.892 30 20 DBED N#Cc1c(F)cccc1N[C@@H](CO)CNC(=O)[C@H]1C[C@H]1C(N)=O 1122566858 FSUFVTWPROXEHE-BBBLOLIVSA-N 320.324 -0.292 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)[C@@H]1C[C@H]1C(=O)OC 1124682519 WHUVMWQCIOWCON-CHWSQXEVSA-N 323.393 -0.298 30 20 DBED Cc1c[nH]c(C(=O)N(C)C[C@@H](O)CN=c2cc[nH]cc2C#N)n1 1124828007 GYWOYJJYIBRJOS-LBPRGKRZSA-N 314.349 -0.048 30 20 DBED Cc1c[nH]c(C(=O)N(C)C[C@H](O)CNc2ccc(C#N)nn2)n1 1124828278 KUHCRAIWWVHEMW-LLVKDONJSA-N 315.337 -0.075 30 20 DBED C#CCO[C@@H](C)C(=O)NCCN[C@H](C)C(=O)Nc1ncccn1 1127046651 UGFLGZQBTAPHPZ-NEPJUHHUSA-N 319.365 -0.452 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@@H]1C[C@@H]2CCCCN2C1 1127255678 KQTISTTVGNIDRL-KGLIPLIRSA-N 308.426 -0.131 30 20 DBED CO[C@@H](C)C(=O)N[C@H]1CCc2nnc(CNCC#N)n2CC1 1127944383 RIIZZDCNGZUQKY-QWRGUYRKSA-N 306.370 -0.253 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1n[nH]c2c1CCC2 1130734104 IDQHRACSYPDRQP-JTQLQIEISA-N 303.366 -0.644 30 20 DBED N#CCN1C[C@H]2C[C@@H]3CN(C(=O)CCCCC(N)=O)C[C@@]3(C1)O2 1131286044 NHGNUASMBWTVFE-XJKCOSOUSA-N 320.393 -0.143 30 20 DBED C=CCOCCNCCNC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1 1131491910 ZTPIRNCMDNJLEN-OLZOCXBDSA-N 313.398 -0.292 30 20 DBED C=C(C)CN1CC[C@]2(C1)CN(C(=O)CNC(N)=O)C[C@@H](C)O2 1131628144 DWUZEHZBZUDIDR-DOMZBBRYSA-N 310.398 -0.077 30 20 DBED C#CCN1CC[C@]2(C1)CN(C(=O)CNC(=O)CC)C[C@H](C)O2 1131645891 MTNILJNMKTXNJY-BBRMVZONSA-N 307.394 -0.162 30 20 DBED C#CCCCC(=O)N1CCC[C@H](N2CCN(CCO)CC2=O)C1 1131716204 DMCWKEZGPCXAGN-HNNXBMFYSA-N 321.421 -0.083 30 20 DBED C#CCNC[C@H]1CN(C(=O)c2cn(CC(N)=O)nn2)CC[C@@H]1C 1133338390 UZJYFPWRLUJRNF-RYUDHWBXSA-N 318.381 -0.916 30 20 DBED COc1c(O)nc(O)nc1C(=O)N[C@H](C)C[C@@H](C)NCC#N 1135919533 FFADGHRJVDJIRU-HTQZYQBOSA-N 309.326 -0.094 30 20 DBED C=CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)CCNC(N)=O 1146217092 VOVGHOGCDVBONX-GHMZBOCLSA-N 313.402 -0.780 30 20 DBED C[C@@H](C[C@H](C)NC(=O)CCNC(=O)c1cnccn1)NCC#N 1146452785 YDOMZJOXTAURFR-RYUDHWBXSA-N 318.381 -0.007 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)[C@H](NC(C)=O)C(C)C)C1 1150607158 QDAKYEHWUOZNAS-HUUCEWRRSA-N 309.410 -0.013 30 20 DBED CNC(=O)NC(=O)CNCCNC(=O)CC#Cc1ccccc1 1151953247 WHXUDOSXDWWMSM-UHFFFAOYSA-N 316.361 -0.410 30 20 DBED C=CCNC(=O)CN(CC)[C@H](C)CNC(=O)[C@H]1CCCC(=O)N1 1153947845 GMVYPQMVQNDAHJ-CHWSQXEVSA-N 324.425 -0.216 30 20 DBED CC(C)N1CCC[C@H]1CC(=O)NCCCNCC(=O)NCC#N 1159901430 HIICFQUOWDDCRO-AWEZNQCLSA-N 323.441 -0.015 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1ccc(OC)nc1 1162119469 LQJZOWSJAZVRBA-UHFFFAOYSA-N 304.350 -0.451 30 20 DBED C#CCN1CCC(CNC(=O)[C@@H]2CCNC(=O)C2)(COC)CC1 1162203907 VFFAZRYEQPYCKJ-CQSZACIVSA-N 321.421 -0.009 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@@H](C)c1cncnc1 1164515005 ZTVBUUHXUQTMHS-LBPRGKRZSA-N 303.366 -0.575 30 20 DBED C=C(Cl)CNCCCNC(=O)[C@H](CCC(N)=O)NC(C)=O 1168504716 WFLQYJHSZKKRQE-NSHDSACASA-N 318.805 -0.395 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCC[C@H](C)NC(=O)CC(N)=O 1169901426 SPUHTUJBSGLXJD-NWDGAFQWSA-N 310.398 -0.736 30 20 DBED C#Cc1ccc(C(=O)NCCCNCCS(C)(=O)=O)cn1 1171595190 XGNZWYHOQDMMEH-UHFFFAOYSA-N 309.391 -0.183 30 20 DBED CCCS(=O)(=O)CC(=O)NCCCNCC#CCOC 1176357136 CYCYHDNPNQXEOF-UHFFFAOYSA-N 304.412 -0.443 30 20 DBED N#CCNC(=O)CN1CCO[C@@H]2CCN(C(=O)C3CCC3)C[C@H]21 1176881408 DPVUFQMQGAWBMW-ZIAGYGMSSA-N 320.393 -0.272 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@H](NCc2cnnn2C)[C@@H]1C 1178678366 HVSVRPNQONLUDA-OBJOEFQTSA-N 305.382 -0.068 30 20 DBED C#CCOCCC(=O)N1CC[C@H](N[C@@H]2CCC(=O)NC2=O)[C@@H]1C 1178681905 SMBCLVAEEYHEOY-RWMBFGLXSA-N 321.377 -0.590 30 20 DBED Cc1nnccc1C(=O)N1CC[C@H](NCC(=O)NCC#N)[C@@H]1C 1179069725 QQHARJOFJSKQTB-AAEUAGOBSA-N 316.365 -0.383 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2ccn(CC)n2)[C@H]1C 1179656538 MEFIICHAVZCWCN-STQMWFEESA-N 317.393 -0.155 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@@H](N[C@@H](C)C(=O)NC)C1 1183354003 LISWUCAMMQCUSJ-MJBXVCDLSA-N 306.410 -0.591 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)C(C)(C)C(N)=O)C1 1183437224 VDQMKJQBPQVMSN-GHMZBOCLSA-N 310.398 -0.621 30 20 DBED CC#CCN[C@@H]1CCN(C(=O)c2ccc(S(N)(=O)=O)o2)C1 1183940447 VPIRYXAVNUOMSI-SNVBAGLBSA-N 311.363 -0.246 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)COc2cccnc2)C1 1186356463 WORLTVCCCQGIQX-CYBMUJFWSA-N 318.377 -0.047 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)C[C@@](C)(O)C=C)C1 1189918402 PYSWZLVKRRCATQ-CJNGLKHVSA-N 307.394 -0.404 30 20 DBED C=CCN(C)[C@@H]1CCN(C(=O)CS(=O)(=O)CCOC)C1 1190973536 PPYNHZBPGBQGAM-GFCCVEGCSA-N 304.412 -0.234 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)c2cnn(C)c2C)C1 1191011311 GJLHXLXKYLQETJ-ZIAGYGMSSA-N 308.382 -0.294 30 20 DBED C#CCN(C)[C@@H]1CCN(C(=O)CN(C)CC(=O)NC(C)C)C1 1191143799 HNVMGFCWTIFGOK-CQSZACIVSA-N 308.426 -0.391 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2nnc(C)s2)C[C@H]1O 1192891552 NVKWYVPJWJUSED-MVWJERBFSA-N 324.406 -0.454 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1 1193571668 UMUJSJUVGREPPO-NEPJUHHUSA-N 308.382 -0.900 30 20 DBED C#CCN(C)[C@@H]1CCN(C(=O)CCS(=O)(=O)N(C)C)C1 1194208178 CUPGXSDOOXRJPX-GFCCVEGCSA-N 301.412 -0.566 30 20 DBED CC(=O)N[C@H](C(=O)N[C@@H]1CN(CC#N)C[C@H]1O)C1CCCC1 1194546422 YNDPVBHZTGQCPZ-MCIONIFRSA-N 308.382 -0.634 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCCN(C[C@@H](O)COC)CC1 1195652850 ZKARAEKSPHOJDI-HIFRSBDPSA-N 300.399 -0.145 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)CCCc2nc(C3CC3)no2)C1 1196757359 IDVOLMQDJCBIPB-VXGBXAGGSA-N 319.365 -0.045 30 20 DBED C=CCNC(=O)[C@H](C)N1CCCN(C(=O)CCCC(N)=O)CC1 1198378498 JDDIBAFFAZMUAC-ZDUSSCGKSA-N 324.425 -0.133 30 20 DBED CC(C)(F)C(=O)N1CCCO[C@@H](CNCC(=O)NCC#N)C1 1199683030 KWQOAPIYMIRNRV-NSHDSACASA-N 314.361 -0.419 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)[C@H](C)C#N)CCCO1 1200116534 XQFWVNMYWQSZOD-CHWSQXEVSA-N 306.366 -0.897 30 20 DBED C#CCNC[C@@H]1CN(C(=O)[C@]2(C)CCC(=O)NC2)CCCO1 1201225463 JPHSXMRETDOGJW-CZUORRHYSA-N 307.394 -0.257 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)CCc2ccon2)CC1 1201602478 FSMNGYFYSLZWLD-UHFFFAOYSA-N 318.377 -0.063 30 20 DBED CCC(=O)N1CC[C@H](C(=O)N2CCCO[C@H](CNCC#N)C2)C1 1201800689 OGTFNRRKXLHFDG-UONOGXRCSA-N 322.409 -0.024 30 20 DBED C=CCNC(=O)[C@H](C)NC1CCN(C(=O)[C@@H](C)CC(N)=O)CC1 1201957634 AJXMIWOBKCRSLD-RYUDHWBXSA-N 324.425 -0.231 30 20 DBED COCC#CCNCC1CCN(C(=O)Cn2nccn2)CC1 1205392132 FGWPLBQZHXLKHI-UHFFFAOYSA-N 305.382 -0.244 30 20 DBED C[C@@H]1CN(Cc2nc(=O)n(C)[nH]2)C[C@H]1NC(=O)CSCC#N 1206090490 XQYJACUDAQJPCC-NXEZZACHSA-N 324.410 -0.698 30 20 DBED C[C@H](C(=O)N1CCC[C@H](NCC(=O)NCC#N)C1)n1cccn1 1207420785 SBFFFLYAZXMTGZ-OLZOCXBDSA-N 318.381 -0.336 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCCN(C(=O)c2cn(C)nn2)C1 1207974393 GIWKZWZQCDXQCB-NWDGAFQWSA-N 318.381 -0.853 30 20 DBED C#CCOCCC(=O)N1CCC[C@@H](NCc2nc(O)n[nH]2)C1 1208032443 RBKVOMVPCKJLCK-LLVKDONJSA-N 307.354 -0.369 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)c2cncn2C)C1 1208504998 OLIQWPXTSQFYNZ-GFCCVEGCSA-N 303.366 -0.636 30 20 DBED COCC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H](C)CC(N)=O 1218448989 UNXCHPCIUBRPKG-MELADBBJSA-N 323.393 -0.941 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@]23CCC[C@@H]2C3)C1 1220040783 GVLVUESSLMJCSK-NFFDBFGFSA-N 305.378 -0.913 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)Cc2ncccc2F)C1 1220220351 PYSJBFDGXNBUJK-CABCVRRESA-N 321.352 -0.426 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)c2ncoc2C2CC2)C1 1220682156 VWJZVEDPCGXLKY-OLZOCXBDSA-N 319.361 -0.023 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@H](NC(N)=O)C(C)(C)C)C1 1220761757 BVILBQZJJCRROI-WOPDTQHZSA-N 310.398 -0.746 30 20 DBED C=CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3ncc[nH]3)[C@@H]2C1 1221526315 HDSWJNVLWFCFLS-VXGBXAGGSA-N 303.366 -0.142 30 20 DBED COCC#CCN1CCC(NC(=O)[C@H]2CCCC(=O)N2)CC1 1227923731 VBVTVUZEXKQHLB-CQSZACIVSA-N 307.394 -0.115 30 20 DBED C=CCCCN1CCC(NC(=O)CN2CCNC(=O)C2)CC1 1228569119 JGNQKJSICXHHMY-UHFFFAOYSA-N 308.426 -0.035 30 20 DBED C=CCNC(=O)CNC(=O)C(=O)Nc1cccc([S@](C)=O)c1 1254238321 QJIXRHUPVBRTJS-QFIPXVFZSA-N 323.374 -0.219 30 20 DBED COCC[C@H](NC(=O)C(=O)Nc1ccc(C#N)cc1)C(N)=O 1255531821 RMYQACOXKSMBPJ-NSHDSACASA-N 304.306 -0.497 30 20 DBED C=CCN1CCC(NC(=O)C(=O)N[C@@H](C)c2ncn(C)n2)CC1 1258205305 WEXMEEHKLAYOPV-NSHDSACASA-N 320.397 -0.241 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N(CCS(C)(=O)=O)C(C)C 1261154593 OPQSHXODOQTZFJ-NSHDSACASA-N 320.411 -0.415 30 20 DBED CNCCCc1[nH]nc(NC(=O)CNC(=O)C2CC2)c1C#N 1317949433 MSARBRNKUJWJOK-UHFFFAOYSA-N 304.354 -0.102 30 20 DBED N#CCCn1ccc(NC(=O)C(=O)N2CC[C@](F)(CO)C2)n1 1322773325 KMXHYACSWULMFU-CYBMUJFWSA-N 309.301 -0.332 30 20 DBED C=CCNC(=O)CNC(=O)C(=O)Nc1cccc2c1COC2=O 1323450620 YSCHIPIIJZKNCC-UHFFFAOYSA-N 317.301 -0.286 30 20 DBED C#CCCCCNC(=O)C(=O)N(CCS(C)(=O)=O)C1CC1 1324810446 XTULQLHELIQVPW-UHFFFAOYSA-N 314.407 -0.058 30 20 DBED N#C[C@H]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)C1 1325962746 CVGLTDQGMXWEBP-SDDRHHMPSA-N 318.377 -0.078 30 20 DBED COC(=O)[C@H]1C[C@@H](O)CN(C(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)C1 1326168499 LPFDLTRPRROLRJ-NNYUYHANSA-N 323.349 -0.823 30 20 DBED C[C@@]1(CCCC(=O)N[C@H]2CCCN(O)C2=O)NC(=O)NC1=O 1326407585 UACURZBPCMBJRV-SDBXPKJASA-N 312.326 -0.749 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2CCC[C@@H](OC)C2)C1=O 1327165490 SLVAXAREQRRNHQ-CHWSQXEVSA-N 323.393 -0.131 30 20 DBED COCCCN(CCO)C(=O)C(=O)N1CC[C@](F)(C#N)C1 1328511934 DIESMJADLZHZIU-ZDUSSCGKSA-N 301.318 -0.692 30 20 DBED Cc1cc(NC(=O)C(=O)NCCN2CC[C@H](O)C2)ncc1C#N 1331664775 SIEXUGIOYKSGAN-LBPRGKRZSA-N 317.349 -0.617 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)N2CC[C@@H](CO)C2)CCN1C1CC1 1332007640 WZTFSLJWNHXUQM-YPMHNXCESA-N 306.366 -0.974 30 20 DBED C#CCN(C(=O)C(=O)N[C@H]1CCCS(=O)(=O)C1)C(C)C 1333157480 HSEYGCSIAOSDCM-NSHDSACASA-N 300.380 -0.450 30 20 DBED C=C[C@@H]1CCCCN1C(=O)C(=O)NCCS(=O)(=O)NCC 1341955975 WDUMDMOTWSZCAM-LLVKDONJSA-N 317.411 -0.391 30 20 DBED COC(=O)COCC(=O)Nc1[nH]nc(N2CCOCC2)c1C#N 1361438212 ZKXRJKJNQGBTEL-UHFFFAOYSA-N 323.309 -0.754 30 20 DBED N#Cc1ccc(C(=O)NC[C@@]2(O)CCS(=O)(=O)C2)s1 1362692724 MLQOYHQSLIDFGX-NSHDSACASA-N 300.361 -0.101 30 20 DBED Cn1c(=O)[nH]c(NC[C@H]2CC[C@H](C(N)=O)CC2)c(C#N)c1=O 1364210339 JFKHPLDFQGXXIQ-KYZUINATSA-N 305.338 -0.351 30 20 DBED CC[C@H](CNC(=O)CNS(=O)(=O)CC)NC(=O)[C@H](C)C#N 1375113297 FKLBJOPZIPPQAZ-NXEZZACHSA-N 318.399 -0.904 30 20 DBED C[C@H](CNC(=O)c1nc2ncccn2n1)CNC(=O)[C@H](C)C#N 1375755049 OJMIMAFNCMFKPH-VHSXEESVSA-N 315.337 -0.234 30 20 DBED CCN(CCC#N)C(=O)CN[C@H]1CCN(C(=O)CCOC)C1 1376893921 UAVPEBVJCKYTAA-ZDUSSCGKSA-N 310.398 -0.024 30 20 DBED COc1nn(C)cc1C(=O)NC1(CNC(=O)[C@H](C)C#N)CC1 1389966133 YFGOQUPEGMDGEJ-SECBINFHSA-N 305.338 -0.033 30 20 DBED CCN1CC[C@H](NC[C@H](O)CNC(=O)c2cc(C#N)c[nH]2)C1=O 1401504937 LNXCBCUKQXHUAF-RYUDHWBXSA-N 319.365 -0.813 30 20 DBED CCN(CCNC(=O)[C@H](C)C#N)C(=O)CN(C)C(=O)C1CC1 1408790872 VIDYPAWUYOGYCE-LLVKDONJSA-N 308.382 -0.021 30 20 DBED C=C(Cl)CN1CC[C@H]1CNC(=O)CNS(=O)(=O)N(C)C 1423121052 SBFCKTLACWIMBJ-JTQLQIEISA-N 324.834 -0.675 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H](CNC(=O)CCc1nc[nH]n1)C1CC1 1427892822 DLAREDKOLDAOMV-ONGXEEELSA-N 304.354 -0.092 30 20 DBED COCC(=O)N(C)CC(=O)NC[C@H](NC(=O)[C@@H](C)C#N)C1CC1 1427930602 ROPQXWRATFIANR-JQWIXIFHSA-N 324.381 -0.738 30 20 DBED C[C@H](C#N)C(=O)N(C)CCN1CCN(Cc2cn(C)nn2)CC1 1443291488 OOKOCRPIOJBSBG-CYBMUJFWSA-N 319.413 -0.449 30 20 DBED CCOCC1(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2O)CC1 1445502985 XXOJUYVLVSVMQW-IJLUTSLNSA-N 309.366 -0.349 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)CCc2ccncc2)C1 1452754306 SAXLVLPVJUWTNW-BNOWGMLFSA-N 316.361 -0.138 30 20 DBED C[C@H](C#N)C(=O)NCCN(C)C(=O)Cn1cc(C2CC2)nn1 1455431744 GKLXWYZIFHXQNY-SNVBAGLBSA-N 304.354 -0.110 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)Cc2cnn(C)c2)C1 1459648200 JFCUFEHWKDLPPD-XHDPSFHLSA-N 319.365 -0.798 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C(=O)CCS(C)(=O)=O)CC1 1491036377 ZGKKMXWGYUGRNC-SNVBAGLBSA-N 301.368 -0.748 30 20 DBED C[C@@H](C#N)C(=O)NCCN1CCN(C(=O)C[C@H]2CCCO2)CC1 1493184649 NDXPDCOBXADJDP-UONOGXRCSA-N 322.409 -0.024 30 20 DBED CN(C)S(=O)(=O)C1(CNC(=O)[C@@](C)(C#N)CC(=O)O)CC1 1573990990 WJNPKCMFDDISLM-LLVKDONJSA-N 317.367 -0.469 30 20 DBED C#CCNC[C@H]1C[C@H](NC(=O)[C@@H]2CCCN2Cc2cnn[nH]2)C1 1575004353 DSSQKRAGVWQZNX-YDHLFZDLSA-N 316.409 -0.113 30 20 DBED C#CCN(CC(=O)O)c1nnc(CS(C)(=O)=O)n1CC=C 1588427024 KHGVJZKRNQTYCA-UHFFFAOYSA-N 312.351 -0.467 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)O[C@H](C)C(=O)NCC(=O)O 1588547222 ICUKVGWYKBXTKQ-SCZZXKLOSA-N 300.311 -0.410 30 20 DBED Cc1ccn(CN2CCO[C@H](C#N)C2)c(=O)c1-c1nn[nH]n1 1592266487 CZWMPQAFGONECO-SNVBAGLBSA-N 301.310 -0.481 30 20 DBED O=C(O)C(=O)N1CCN(C(=O)c2cccc(C#CCO)c2)CC1 1594828279 PNBJNFBLXCKFJG-UHFFFAOYSA-N 316.313 -0.601 30 20 DBED Cc1nc(O)nc(O)c1CCC(=O)N(CC#N)CCC(=O)O 1599941371 OXYMVZXKPSWXJT-UHFFFAOYSA-N 308.294 -0.044 30 20 DBED N#Cc1ncccc1S(=O)(=O)NC[C@@]1(C(=O)O)CCOC1 1601135407 UQGXPVRRCKOBOK-LBPRGKRZSA-N 311.319 -0.277 30 20 DBED C#CCOCCNC(=O)N1[C@H]2CC[C@H]1[C@H](C(=O)O)[C@@H]2C(=O)OC 1602728656 ZUSVSRSTGNGESQ-FIQHERPVSA-N 324.333 -0.318 30 20 DBED C#CCOc1ccccc1NC(=O)C(=O)NC[C@@H](O)CC(=O)O 1602734653 VCIQWGXUTCBRIQ-JTQLQIEISA-N 320.301 -0.411 30 20 DBED CO[C@@]1(C(=O)O)CCN(C(=O)NC2CCN(CC#N)CC2)C1 1606697117 KOJLBYVLQHASDQ-AWEZNQCLSA-N 310.354 -0.141 30 20 DBED Cc1nn(C)c(N2CCN(C(=O)NCCC(=O)O)CC2)c1C#N 1611254360 KLHQNMUNEVJWIE-UHFFFAOYSA-N 320.353 -0.094 30 20 DBED C=CCNC(=O)NC(=O)CNC1(CNC(=O)[C@@H]2C[C@H]2C)CC1 1699642143 JGPGLJYYRQOZKR-GHMZBOCLSA-N 308.382 -0.107 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1C[C@H](NC(=O)[C@H](C)NC(=O)CC)C1 1752632607 HPNCDMDTZFCOLG-YVECIDJPSA-N 322.409 -0.724 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@H]1[C@@H]2CN([C@H](C)C(=O)N(C)C)C[C@@H]21 1752844035 YIOAGCJKGUXCIQ-JMUUTAKRSA-N 309.410 -0.163 30 20 DBED C=CCNC(=O)CN[C@H](C)CCNC(=O)c1nccnc1N 1753004266 UUPDOPXAFDKJOV-SNVBAGLBSA-N 306.370 -0.541 30 20 DBED CCN(CCNC(=O)C#CC1CC1)CC(=O)N1CCOCC1 1753081474 GUYMFYHCYQIUOW-UHFFFAOYSA-N 307.394 -0.303 30 20 DBED C#CCCN(CC)CCNC(=O)Cn1nc2ccccn2c1=O 1753086342 NETGDAGCBFKEDZ-UHFFFAOYSA-N 315.377 -0.043 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC(NC(=O)Cc2cnn(C)c2C)C1 1753378888 ZPANBSYZALJGBX-GFCCVEGCSA-N 319.409 -0.238 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC(NC(=O)c2c(C)cnn2C)C1 1753383820 GZPLAERFKOMJMQ-LLVKDONJSA-N 303.366 -0.720 30 20 DBED C[C@@H]1CN(C(=O)Cc2ccon2)CC[C@@H]1NCC(=O)NCC#N 1753769335 PNGPRZDCUBQFLF-YPMHNXCESA-N 319.365 -0.317 30 20 DBED COCC#CCNC[C@@H](C)NC(=O)[C@@H]1CCc2nncn2C1 1754254986 VXVMKJFRJTUNLT-CHWSQXEVSA-N 305.382 -0.415 30 20 DBED C#CCN1CCC(C(=O)N[C@@H](C)CN(C)[C@@H]2CCNC2=O)CC1 1754337551 WAZPKQSNAMUJJX-DZGCQCFKSA-N 320.437 -0.343 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCCNCc1nnc2n1CCOC2 1754363266 PACPVTKZKTZHOE-NSHDSACASA-N 306.370 -0.094 30 20 DBED C#CCNC[C@H](NC(=O)CNC(=O)c1ccccn1)C1CC1 1754460773 AEDUKNKKMAVLFB-AWEZNQCLSA-N 300.362 -0.071 30 20 DBED C#CCN1CCC[C@@](CO)(NC(=O)[C@H]2CCCN2C(C)=O)C1 1754860114 BJZCNKZMJKNVQY-GDBMZVCRSA-N 307.394 -0.426 30 20 DBED C#CCN1CCC[C@](CO)(NC(=O)[C@@H](C)CN2CCOCC2)C1 1754860320 DHNREIKRMCLQJW-RDJZCZTQSA-N 323.437 -0.469 30 20 DBED C#CCNC(=O)CN[C@]1(CO)CCCN(C(=O)CC(C)C)C1 1755080942 NTKLZUPNLODHRP-MRXNPFEDSA-N 309.410 -0.275 30 20 DBED Cc1cnc(C(=O)N2C[C@H](C)[C@@H](NCC(=O)NCC#N)C2)cn1 1755105260 FIPNDVYSYAVLOI-GWCFXTLKSA-N 316.365 -0.525 30 20 DBED C=CCNC(=O)CN[C@H]1CN(C(=O)Cn2cncn2)C[C@H]1C 1755124155 ZXBHNLFZVSHFNX-NEPJUHHUSA-N 306.370 -0.983 30 20 DBED COCC#CCN1CC([C@H](C)NC(=O)C(C)(C)NC(C)=O)C1 1755387660 OOVVAKXKNKSLON-LBPRGKRZSA-N 309.410 -0.013 30 20 DBED COCC#CCN1C[C@@H](NC(=O)Cn2cncn2)C(C)(C)C1 1755415158 FLGCSASBQJQKIZ-CYBMUJFWSA-N 305.382 -0.246 30 20 DBED C=CCNC(=O)CN(C)C[C@@H](O)CN(C)C(=O)c1cc[nH]c1 1755800917 QBDSPNNNPLPMPP-CYBMUJFWSA-N 308.382 -0.318 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(CCO)(NC(=O)c2ncc[nH]2)C1 1756082243 VCBBGVHLQKWANA-LLVKDONJSA-N 320.349 -0.859 30 20 DBED CC(C)C#CC(=O)N1CC(CCO)(NC(=O)Cc2cnoc2)C1 1756088048 YRTUCFLSXUDZND-UHFFFAOYSA-N 319.361 -0.044 30 20 DBED C#CCCCC(=O)NC[C@@H](CO)NC(=O)Cc1cnc(C)o1 1756515843 QKFRRBSFVUHKRQ-LBPRGKRZSA-N 307.350 -0.078 30 20 DBED C=C1CC(C)(C(=O)NC[C@H](CO)NC(=O)Cn2ccnc2)C1 1756547956 GWJYGKXQHBDRAM-GFCCVEGCSA-N 306.366 -0.167 30 20 DBED C=CCOCC(=O)N[C@@H]1C[C@@H](C)N(C(=O)Cc2nc[nH]n2)C1 1756600589 HSZXDKFKEVDTDB-GHMZBOCLSA-N 307.354 -0.345 30 20 DBED C=CCOCC(=O)NC[C@H](O)CN(C)C(=O)[C@@H]1CCCO1 1756649197 HUAMCAJFRRNSQN-RYUDHWBXSA-N 300.355 -0.697 30 20 DBED CN(C[C@H](O)CNC(=O)CCc1cn[nH]c1)C(=O)C#CC1CC1 1756661757 DYSWAGCNYKEVTM-CQSZACIVSA-N 318.377 -0.309 30 20 DBED C#Cc1ccc(C(=O)N(C)C[C@@H](O)CNC(=O)C(F)F)nc1 1756671932 LVOQVTSWMCZCCB-JTQLQIEISA-N 311.288 -0.123 30 20 DBED C#CCOCCC(=O)NC1CC(N(C)C(=O)c2ncn(C)n2)C1 1756738561 TTXPQCXXPWSVMY-UHFFFAOYSA-N 319.365 -0.426 30 20 DBED C=C(C)[C@H](CC(=O)N(C)C1CC(NC(=O)C(N)=O)C1)OCC 1756741707 BRCJOQAZOLEEML-MCIGGMRASA-N 311.382 -0.051 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(C(=O)C[C@@H]2CCCO2)C[C@@H]1O 1757173801 IWSHMAUIPLRGAV-MJBXVCDLSA-N 324.377 -0.717 30 20 DBED N#CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3C=CCN3)[C@H]2C1 1787401924 PMMFMUMPITYVEJ-XUXIUFHCSA-N 318.377 -0.592 30 20 DBED CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791076134 RNTVBWQKSYZXNX-SRVKXCTJSA-N 308.334 -0.536 30 20 DBED C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CCOCC1 1795883214 MAKPSECWCBORFQ-BTTYYORXSA-N 305.378 -0.410 30 20 DBED N#CC1(C(=O)N2CC3(CCCN3C(=O)[C@H]3CNC(=O)C3)C2)CC1 1845997574 WNPKTFRJNSIZSZ-LLVKDONJSA-N 316.361 -0.370 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 131370910 OSLMYTQUEGSMHD-TZMCWYRMSA-N 306.410 -0.462 30 20 DBED CC(C)[C@](C)(C#N)NC(=O)CN1CCN(C(=O)[C@@H](C)O)CC1 152942424 YWGGXWFOPKQCPM-DOMZBBRYSA-N 310.398 -0.434 30 20 DBED CN(CCCc1n[nH]c(N)c1C#N)CCCN1C(=O)CNC1=O 162708427 ZZMLTWYQDCZOPH-UHFFFAOYSA-N 319.369 -0.330 30 20 DBED CC/N=C(/NC[C@@H]1CN2CCN1CC2)N1CC[C@@H](COC)C1 261631864 CVUPGNYTWQGGAO-HUUCEWRRSA-N 309.458 -0.080 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H]2CCN(C)C2)C1=O 264716891 XAWQNIPNXMDUDR-SNVBAGLBSA-N 308.338 -0.969 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)CC2CC2)c1=O 278249061 MFKITEASUHNGLI-UHFFFAOYSA-N 305.334 -0.087 30 20 DBED C=C[C@H](CO)NC(=O)C(=O)Nc1ccc(OCC(=O)OC)cc1 290055544 MTRUZCJODNCZTJ-SNVBAGLBSA-N 322.317 -0.160 30 20 DBED CCOC(=O)CC[C@@H](O)Cn1c(=O)c(C#N)cn(CC)c1=O 296195900 OLBSIOVDVXBGBJ-LLVKDONJSA-N 309.322 -0.394 30 20 DBED CC(C)(C#N)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 298826718 SBSAKCLZSHYLOV-UHFFFAOYSA-N 322.365 -0.934 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCCc2cccnc2)C1=O 299498288 HGKXLRUMIOOYDY-UHFFFAOYSA-N 316.317 -0.283 30 20 DBED C[C@H](CS(C)(=O)=O)N(C)/C(O)=N/CC(=O)N1CCCC1 330740581 PASNLXINQZFKTK-SNVBAGLBSA-N 305.400 -0.112 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)NCC1(S(C)(=O)=O)CCC1 337155751 OEXVJWJEOGYYKH-SNVBAGLBSA-N 323.440 -0.120 30 20 DBED CN(C)c1nc(O)cc(C(=O)NCCn2cnc(C#N)n2)n1 343041344 XSJUUYXSGZQKDN-UHFFFAOYSA-N 302.298 -0.859 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N1[C@@H](CO)CC[C@@H]1CO 344925573 XNOKRDHKGAYGNT-IJLUTSLNSA-N 305.400 -0.470 30 20 DBED CS(=O)(=O)C1(CNC(=O)CNc2ccc(C#N)cn2)CCC1 357267928 VMCYLEBHBIEGED-UHFFFAOYSA-N 322.390 0.449 30 20 DBED CN(C)CC(=O)N1CCN(C(=O)c2cnccc2C#N)CC1 358380037 FPRPLZRJSCZQSQ-UHFFFAOYSA-N 301.350 -0.201 30 20 DBED CCN(CCC#N)C(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 359346359 LKRJVQSSXHVUFN-AWEZNQCLSA-N 322.409 -0.071 30 20 DBED C[C@H]1CN(c2nccnc2C#N)CCN1c1ccc2nnnn2n1 362559892 FCSTUIIKMUYBFM-JTQLQIEISA-N 322.336 -0.104 30 20 DBED C[C@H](C#N)CN(C)C(=O)C(=O)N1CCN(CC(C)(C)O)CC1 410468984 MSRTVDBLJKBTOC-GFCCVEGCSA-N 310.398 -0.480 30 20 DBED C=CCN1CCC(NC(=O)C(=O)N2C[C@@H](C)N[C@H](C)C2)CC1 419738782 ZLBUIKSDNVQGQY-CHWSQXEVSA-N 308.426 -0.038 30 20 DBED CC1(C)[C@@H](O)C[C@H]1NC(=O)C(=O)Nc1ccn(CCC#N)n1 426848580 PMOCEJCELWRUQI-ZJUUUORDSA-N 305.338 0.011 30 20 DBED COC(=O)CN(CC#N)CC(=O)NCC(=O)c1ccccc1 435060093 XWAJCNFDWALLPD-UHFFFAOYSA-N 303.318 -0.016 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@H](NC(C)=O)C(C)C)CC1 491166974 VOJCPYOCVZELSC-OAHLLOKOSA-N 322.409 -0.959 30 20 DBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C1(C(N)=O)CCC1 537153707 VGMZFCPTZWKHPG-UHFFFAOYSA-N 304.354 -0.090 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCc2cc[nH]n2)C1=O 550184100 XCEMTPXIDUBUMX-NSHDSACASA-N 305.338 -0.729 30 20 DBED Cc1c(C(=O)N2CCN(CC#N)CC2)nnn1-c1ccn(C)n1 559933266 YAYKMMPUHMXXQR-UHFFFAOYSA-N 314.353 -0.409 30 20 DBED CC(C)N1CCN(C(=O)C(=O)Nc2cccc(C#N)n2)CC1=O 567835392 MCGKPTQKNSUXHZ-UHFFFAOYSA-N 315.333 -0.029 30 20 DBED N#Cc1c[nH]c(=O)n(Cc2nnnn2CC(F)(F)F)c1=O 579591056 CRKYTNNPMQXWSP-UHFFFAOYSA-N 301.188 -0.995 30 20 DBED CC(C)(C)[C@H](NC(=O)C(=O)Nc1cccc(C#N)n1)C(N)=O 580713487 SGEWZSMHUFJBMU-SNVBAGLBSA-N 303.322 -0.092 30 20 DBED N#C[C@@H]1COCCN1C(=O)CNS(=O)(=O)c1ccccc1N 585681901 YWIJTXWVDXJLBB-SNVBAGLBSA-N 324.362 -0.702 30 20 DBED CN1C[C@H](NC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)C(=O)N1 590708594 MWQTUHNNOHSEOI-UONOGXRCSA-N 313.361 -0.012 30 20 DBED CS(=O)(=O)N1CCC[C@@H]1C(=O)N1CC[C@@](O)(CC#N)C1 592838107 IXMAQRGMBIRDLR-PWSUYJOCSA-N 301.368 -0.713 30 20 DBED CCOC(=O)CON=C(C(=O)NCc1cocn1)c1cc[nH]n1 606443450 AJHQLENPHNJUIK-UHFFFAOYSA-N 321.293 -0.002 30 20 DBED Cc1nc([C@H]2COCCN2S(=O)(=O)N(C)CCC#N)no1 611534307 WVMHPSGTJQWSEB-SNVBAGLBSA-N 315.355 -0.158 30 20 DBED C=C[C@@H](O)C(=O)N1CCOC[C@H]1c1noc(-c2cnn(C)c2)n1 613368277 UZEYKFVZGMMPEK-WDEREUQCSA-N 319.321 -0.083 30 20 DBED N#CCc1cccc(S(=O)(=O)N[C@H](CC(=O)O)C(=O)O)c1 619470150 NRXVQOBHTPKKHF-SNVBAGLBSA-N 312.303 -0.041 30 20 DBED C=CCOC[C@H](NC(=O)c1ccc(=O)n(CC)n1)C(=O)OC 619511753 UPHNAKPIVPPGJE-NSHDSACASA-N 309.322 -0.263 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)NCCOC[C@@H]1CCOC1 619709644 WILIMJVOLVRPDS-NWDGAFQWSA-N 305.400 -0.035 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(OC)n[nH]2)C1=O 627554319 INGVUOWKNSQOLJ-SECBINFHSA-N 321.337 -0.398 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)CCN1CCCC1=O 727914330 SRTBEVNEHIILBF-JTQLQIEISA-N 311.338 -0.058 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)CN(C)C(=O)C1CC1 733515184 WPVORCXZIHBXPW-SECBINFHSA-N 311.338 -0.202 30 20 DBED C#CCN(C(=O)CCSCC(=O)O)[C@H]1CCS(=O)(=O)C1 736076612 JPZSKXSSUALMKG-JTQLQIEISA-N 319.404 -0.157 30 20 DBED C=CCCC(=O)COC(=O)CNS(=O)(=O)c1cn(C)cn1 761415396 COHWOGWIQBOHIG-UHFFFAOYSA-N 315.351 -0.223 30 20 DBED C=C[C@@H](C(=O)OC)N1CCN(S(=O)(=O)N(CC)CC)CC1 800330165 ULLNMOWCPBSVLN-LBPRGKRZSA-N 319.427 -0.082 30 20 DBED CC(C)NC(=O)CN(C)CC(=O)OCC(=O)NC1(C#N)CCC1 803694494 ZRGFGQOGAQQLEC-UHFFFAOYSA-N 324.381 -0.452 30 20 DBED N#C[C@H]1CNC[C@@H]1NC(=O)CCNC(=O)OCC(F)(F)F 834500781 WXUJHQLUZLJSGO-YUMQZZPRSA-N 308.260 -0.107 30 20 DBED COCCNC(=O)CN1CCN(C(=O)C#CC(C)(C)C)CC1 837319254 FGPHOGSIKSZBAD-UHFFFAOYSA-N 309.410 -0.057 30 20 DBED CC#CCS(=O)(=O)NC(=O)C1(n2cnnn2)CCCCC1 845544002 GZAXGYWJCYQTBN-UHFFFAOYSA-N 311.367 -0.198 30 20 DBED C#CCCCC(=O)N1CCOC[C@@H]1C(=O)NCC(=O)OCC 854382956 QEEDDCYRGKSJQA-GFCCVEGCSA-N 310.350 -0.303 30 20 DBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NN1CCOC1=O 862696242 PKKFKOQHJYEFLE-UHFFFAOYSA-N 324.318 -0.792 30 20 DBED C=CCCOCCNC(=O)C(=O)N1CCOC[C@@H]1COC 930294936 AOVQRGYMNCMRNO-LBPRGKRZSA-N 300.355 -0.431 30 20 DBED C#CCN1CCN(C(=O)c2ccc(S(C)(=O)=O)nc2)CC1 932710331 RFGKHYIYFFTDFP-UHFFFAOYSA-N 307.375 -0.124 30 20 DBED C=CCS(=O)(=O)CCNC(=O)CS(=O)(=O)CCCC 935332694 MOWCEKZHTHRSNV-UHFFFAOYSA-N 311.425 -0.082 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cc[nH]n2)C1 938171582 FRSYYDFJFULCTE-JSGCOSHPSA-N 315.377 -0.162 30 20 DBED CN1CC[C@H](CC(=O)N[C@@H]2CCN(C(=O)C#CC3CC3)C2)C1=O 941055810 AFSIFRVRIPPVTJ-ZIAGYGMSSA-N 317.389 -0.015 30 20 DBED C[C@H](C#N)C(=O)N1CCCN(C(=O)[C@H]2CCCNC2=O)CC1 941359209 VUSXZQDCJIZBBH-NEPJUHHUSA-N 306.366 -0.267 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)c3cn(C)nn3)C2)nc1 941875090 SQEJIQYFHPXUQX-GFCCVEGCSA-N 324.344 -0.164 30 20 DBED O=C1NCC[C@@H]1C(=O)NC[C@H]1CCCN1C(=O)C#CC1CC1 944009911 QVTWPGVAZDRDNU-OLZOCXBDSA-N 303.362 -0.357 30 20 DBED CN1C[C@H](C(=O)NC2CCN(C(=O)C#CC3CC3)CC2)CC1=O 946699074 BEWGXOSJKSDQRW-CYBMUJFWSA-N 317.389 -0.015 30 20 DBED C#Cc1ccc(C(=O)N2C[C@H]3C[C@H]2[C@H]3NC(=O)c2cnn[nH]2)cn1 947490354 RUPFMCQCDDHACA-SWHYSGLUSA-N 322.328 -0.176 30 20 DBED CN(C(=O)C[C@@H]1NC(=O)NC1=O)[C@H]1CCCN(CC#N)CC1 948444558 FDQKZJSCPWUDLV-QWRGUYRKSA-N 307.354 -0.579 30 20 DBED N#Cc1ccc(CN2CCN(C(=O)[C@@H]3CNC(=O)N3)CC2)s1 949953915 YSYGLPVTDLXXHA-LBPRGKRZSA-N 319.390 -0.055 30 20 DBED CCN(C(=O)c1ccc(=O)n(CCOC)n1)C1CN(CC#N)C1 950818373 OCWMPFIYKHOQGB-UHFFFAOYSA-N 319.365 -0.440 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H](NC(=O)c2c[nH]c(=O)cn2)C1 951868112 PTNVRNSVIUJRRR-NXEZZACHSA-N 303.322 -0.350 30 20 DBED C#Cc1ccc(C(=O)N2CC(N(C)C(=O)Cn3ncnn3)C2)cc1 954350654 VXOSLZIIPQTWHO-UHFFFAOYSA-N 324.344 -0.363 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2ccnc3c2ncn3C)C1 958400657 XYVZLMRBABCFKH-YPMHNXCESA-N 313.361 -0.376 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2ccc3nnn(C)c3c2)C1 958624470 BGZBCKDUGHUDHT-IUODEOHRSA-N 313.361 -0.376 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2ccc(N(C)C)cn2)C1 958734451 ZYDNRABJMHBQOK-SWLSCSKDSA-N 302.378 -0.197 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1[C@@H]2CN(Cc3nncn3C)C[C@@H]21 961823121 HKWONALZFMVFOL-BIGJJFBESA-N 317.393 -0.047 30 20 DBED C=CCN1CC[C@H](C)[C@H](NC(=O)CN2CCN(C)C(=O)C2)C1 967031074 KHSDZXRYVRUQET-UONOGXRCSA-N 308.426 -0.227 30 20 DBED C[C@@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)[C@@H]1CCN(C)C1=O)C2 969816604 DJHXFTBGKXGJSY-ZDEQEGDKSA-N 318.377 -0.174 30 20 DBED CN1C(=O)CC[C@@H]1CC(=O)N1CC[C@@]2(CN(CC#N)CCO2)C1 972492859 SQZFHUBMWNZRCV-CZUORRHYSA-N 320.393 -0.176 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)c3cnn(C)n3)C2)cn1 973452296 RRNLDQWMDXQPNV-JOCQHMNTSA-N 324.344 -0.118 30 20 DBED C#CCN1C[C@H](NC(=O)C2CC3(C2)NC(=O)NC3=O)C(C)(C)C1 977313238 XMNTVLIQCYGFHB-CSJGVYOVSA-N 318.377 -0.566 30 20 DBED N#Cc1cc(C(=O)N2C[C@@H]3[C@@H](CC[C@H]3NC(=O)C(N)=O)C2)c[nH]1 979821818 VJSVHTPHVXAZJB-XXILOJSOSA-N 315.333 -0.662 30 20 DBED C=CCN1CCCC2(C1)CN(C(=O)CN1CC(=O)N(C)C1=O)C2 982113277 LDAWOFYBTCZQEO-UHFFFAOYSA-N 320.393 -0.009 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@@H]2CCN(C(=O)CC(N)=O)C2)c1 982559487 RHJLEUMSVYQQID-VIFPVBQESA-N 303.322 -0.660 30 20 DBED C[C@H](C#N)C(=O)N1CC(NC(=O)C2CCC(C(N)=O)CC2)C1 995131898 PJTPCADPNOOTOI-KPPDAEKUSA-N 306.366 -0.235 30 20 DBED C=C(Cl)C(C)(C)C(=O)N1CC(NC(=O)c2nnn(C)n2)C1 997867011 BWDCYHHQQNKNSB-UHFFFAOYSA-N 312.761 -0.071 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CC(=O)N(C)C2)C1 1000016795 HIKMWNOAZCOXJE-RTXFEEFZSA-N 321.377 -0.617 30 20 DBED C[C@@H](C#N)C(=O)N1CC(CNC(=O)[C@@H]2CCNC(=O)CC2)C1 1003344608 CSEDWKGBIWBPIR-JQWIXIFHSA-N 306.366 -0.363 30 20 DBED CC(=O)N1CC(C(=O)N[C@H]2CN(C(=O)[C@@H](C)C#N)CC2(C)C)C1 1008095309 NUXKHJXSTBKZOF-GWCFXTLKSA-N 320.393 -0.022 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@H](CNC(=O)c3cncnc3O)[C@H]2C1 1009179745 XMBSDXKOTJCPJI-IQIPOGNMSA-N 315.333 -0.224 30 20 DBED N#Cc1ccc(C(=O)NC[C@@H]2CC[C@H](NC(=O)C(N)=O)C2)[nH]1 1015549850 CGJNDXHBWJTXNL-BDAKNGLRSA-N 303.322 -0.614 30 20 DBED N#Cc1cc(C(=O)N2CCC3(CN(C(=O)CC(N)=O)C3)C2)c[nH]1 1018889525 PLCNMKGPOOZYEN-UHFFFAOYSA-N 315.333 -0.564 30 20 DBED C[C@H](C#N)C(=O)N1CCCO[C@H](CNC(=O)c2cnn(C)c2)C1 1019526961 PSUPLWLNTGYXMM-DGCLKSJQSA-N 319.365 -0.073 30 20 DBED C#CCN1CC[C@H]2[C@H](CCCN2C(=O)CN2CCOCC2=O)C1 1021605133 KIZJJBZTDNCVNC-CABCVRRESA-N 319.405 -0.209 30 20 DBED N#CCN1CC[C@@H]2[C@H](CCCN2C(=O)C2CC(=O)NC(=O)C2)C1 1021690690 KFGVPFNDEYXYMT-DGCLKSJQSA-N 318.377 -0.124 30 20 DBED C=C[C@](C)(CC)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn(C)nn2)C1 1023589595 PBZBJEYPYQODKY-IXPVHAAZSA-N 321.381 -0.281 30 20 DBED C#CCCN1C[C@H]2[C@H](NC(=O)[C@H]3CN4CCC[C@H]4CO3)[C@H]2C1 1025798852 LJWSKMZEIHHHIL-AALSBFMBSA-N 303.406 -0.081 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1[C@@H]2CN([C@H](C)C(N)=O)C[C@@H]21 1025814099 SFXCVRAUHNQBGW-DGTMBMJNSA-N 304.394 -0.996 30 20 DBED C#CCN1CC[C@H](CNC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 1028536536 VDLZSUYYNWDUCG-OLZOCXBDSA-N 315.377 -0.166 30 20 DBED C=CCN1CC[C@@H](N[C@@H](C)C2CCN(C(=O)C(N)=O)CC2)C1=O 1029138628 NPGBYQRUSVVSSN-WCQYABFASA-N 322.409 -0.525 30 20 DBED CN1CCC[C@@H](N2CC(NC(=O)c3c[nH]c(C#N)c3)C2)C1=O 1030235455 XZIBZXPFNZCICO-CYBMUJFWSA-N 301.350 -0.079 30 20 DBED C=CCN1CC[C@H](N2CC(CNC(=O)[C@@H]3CCOC3)C2)C1=O 1031572316 JIRVKVMTGAVLRU-KGLIPLIRSA-N 307.394 -0.142 30 20 DBED C#CCN1CCCC[C@H](NC(=O)[C@@H]2CN(C(C)=O)CCO2)C1 1034506691 CNYMGDHIGXTXJS-GJZGRUSLSA-N 307.394 -0.162 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)[C@@H]2CC(=O)N(CC(C)C)C2)C1 1035391407 ONPXPHOCIDDCML-CABCVRRESA-N 321.421 -0.059 30 20 DBED C=CCN1CCO[C@@H](CNC(=O)[C@@H]2CCCN(C(N)=O)C2)C1 1035435013 LLSGRMBOSBKSES-OLZOCXBDSA-N 310.398 -0.220 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)[C@@H]2CCc3c[nH]nc3C2)C1 1035611080 QQKFEUDSNBPQNU-OCCSQVGLSA-N 302.378 -0.035 30 20 DBED CC#CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)Cc1nc2ncccn2n1 1037730520 XDFRXMWXQLDCBK-TYNCELHUSA-N 310.361 -0.121 30 20 DBED C#CCOCCC(=O)NC[C@@]1(O)CCN(C(=O)COCC=C)C1 1039718924 JXWCQNDAGKVZAB-INIZCTEOSA-N 324.377 -0.692 30 20 DBED C#CCN1CCC[C@]2(CCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C2)C1 1040424709 MQMBVJWURLUIEG-LRDDRELGSA-N 318.377 -0.468 30 20 DBED C=C(C)CCC(=O)N1CC(O)(CNC(=O)[C@H](C)NC(C)=O)C1 1041337636 FHDDFJVHZYFGBP-NSHDSACASA-N 311.382 -0.443 30 20 DBED C[C@@H]1CN(c2ccncc2C#N)C[C@H]1NC(=O)Cn1cnnn1 1041760390 UOLCLAQFZPIHKW-ZYHUDNBSSA-N 312.337 -0.419 30 20 DBED CN(C(=O)Cn1ncnn1)C1CN(Cc2ccccc2C#N)C1 1042728890 OYUATNAXVTZLLZ-UHFFFAOYSA-N 311.349 -0.112 30 20 DBED O=C(C#CC1CC1)NCC1(O)CN(C(=O)c2ccc(F)nc2)C1 1042957934 BNBOWCXCOULHID-UHFFFAOYSA-N 317.320 -0.063 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)[C@@H]2CC23CCC3)C1 1043075175 TZUBTDMVEIFOMT-OLZOCXBDSA-N 320.389 -0.096 30 20 DBED Cc1ncc(C(=O)N[C@@H]2CN(c3cnc(C#N)cn3)C[C@@H]2O)[nH]1 1043877509 MRMFMNIOVHQSKF-NEPJUHHUSA-N 313.321 -0.641 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(O)(CNC(=O)c2conc2C)C1 1045531575 GMVGTFINZVDEEB-AWEZNQCLSA-N 323.349 -0.387 30 20 DBED Cc1cc(CC(=O)N2CC(O)(CNC(=O)[C@H](C)C#N)C2)n(C)n1 1045555478 RITDREMMLXQQPX-SNVBAGLBSA-N 319.365 -0.880 30 20 DBED CC#CCN1CC[C@H](N2CCN(C(=O)c3cnn[nH]3)CC2)C1 1046043228 YXHKUQKUFAARMZ-ZDUSSCGKSA-N 302.382 -0.340 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)c2nocc2C)C1 1046560069 MBVNTCAKQFEBCR-UHFFFAOYSA-N 321.333 -0.674 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 1047034430 FTEGXKHKFWZKKH-QCNOEVLYSA-N 307.350 -0.597 30 20 DBED Cn1cc(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)N(CC#N)C3)c(O)nc1=O 1047201671 XVYSGJRVPJHDDY-AXFHLTTASA-N 317.349 -0.408 30 20 DBED C=CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2COCCN2CC)C1 1047433446 BQWXVZIGQCUPCX-ZNMIVQPWSA-N 311.426 -0.213 30 20 DBED CCc1c(C(=O)N(C)[C@H]2CN(CC#N)C[C@@H]2O)nnn1CC 1047524807 QRWQYXFSLFIFNS-RYUDHWBXSA-N 306.370 -0.499 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)[C@H]1CN(C(=O)CCCF)C[C@@H]1O 1048843913 ALOMPNQMZDXZSH-AVGNSLFASA-N 314.357 -0.196 30 20 DBED COCCC1(C(=O)N(C)[C@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)CC1 1048945920 MUHCHBJVYJQZJT-AVGNSLFASA-N 323.393 -0.007 30 20 DBED COCC(C)(C)C(=O)N(C)[C@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1O 1049079001 KCSHQKMQDUNCGW-WOPDTQHZSA-N 311.382 -0.151 30 20 DBED N#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1nnc(O)nc1O 1049573237 RGTVHACXBBIYKL-IUCAKERBSA-N 304.310 -0.515 30 20 DBED C#CCCN1C[C@@H]2CCCN(C(=O)CN3CCNC(=O)C3)[C@@H]2C1 1050109829 BXQIWCFRDMCLIB-LSDHHAIUSA-N 318.421 -0.636 30 20 DBED C=C(C)CN1CCN([C@@H]2CCN(C(=O)c3nnn(C)n3)C2)CC1 1052068160 XGVBEFPFVMYYPF-CYBMUJFWSA-N 319.413 -0.382 30 20 DBED C[C@H](O)CN1CC2(C1)CN(C(=O)c1c[nH]c(C#N)c1)CCO2 1053227198 SBMYDQBVIDSWMB-NSHDSACASA-N 304.350 -0.206 30 20 DBED CN1C[C@H](C(=O)N2CCC[C@]3(CCN(CC#N)C3)C2)NC1=O 1054177372 KMMJLAUIHPISJJ-IUODEOHRSA-N 305.382 -0.152 30 20 DBED C[C@H]1CN(C(=O)c2ccc(-n3cnnn3)cn2)C[C@@H]1NCC#N 1054930856 UQRJZIJRVILPRU-GWCFXTLKSA-N 312.337 -0.369 30 20 DBED Cn1ccc(CC(=O)N2CCN(c3ccnc(C#N)n3)CC2)n1 1055795084 FXLULXTWXXTWRO-UHFFFAOYSA-N 311.349 -0.027 30 20 DBED N#Cc1cnc(N2CCN(C(=O)CCc3cnn[nH]3)CC2)cn1 1056025094 WJVSDTLBBUYHTJ-UHFFFAOYSA-N 312.337 -0.252 30 20 DBED Cc1n[nH]cc1C(=O)N1CCC[C@@](CO)(NC(=O)[C@@H](C)C#N)C1 1056097841 WEUURQPZOLBZIM-ZUZCIYMTSA-N 319.365 -0.039 30 20 DBED N#Cc1nccnc1N1C[C@H]2[C@H](NC(=O)[C@@H]3COCCO3)[C@H]2C1 1056134730 KMDJZQGZGYHIMD-JULQROHOSA-N 315.333 -0.686 30 20 DBED Cn1nccc1CC(=O)N[C@H]1[C@@H]2CN(c3nccnc3C#N)C[C@@H]21 1056173926 RQZSZZNPUSAXOH-JYAVWHMHSA-N 323.360 -0.125 30 20 DBED N#Cc1cnc(N2C[C@H]3[C@H](NC(=O)Cn4nccn4)[C@H]3C2)cn1 1056315878 MAPDBZYCMLDQSW-YABSGUDNSA-N 310.321 -0.809 30 20 DBED N#Cc1cc(C(=O)NCCN(CCO)C(=O)c2cn[nH]c2)c[nH]1 1057074203 WRFZAYSGBARVQR-UHFFFAOYSA-N 316.321 -0.526 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)c1nnn(C)c1C 1057258943 XXBBXHTYESXKJK-UHFFFAOYSA-N 309.370 -0.360 30 20 DBED Cc1nnsc1C(=O)NCCN(CCO)C(=O)C#CC1CC1 1057531584 UVNCEUGFNRCEBE-UHFFFAOYSA-N 322.390 -0.189 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)CCc1ccn(C)n1 1057810455 ZCRJPNDQCGARON-LBPRGKRZSA-N 321.381 -0.551 30 20 DBED Cn1cnc(C(=O)NC2CCN(c3ccnc(C#N)n3)CC2)n1 1057866082 SKFVDRRBBMEMIB-UHFFFAOYSA-N 312.337 -0.124 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)[C@@H]1CCC(=O)N1 1058242077 NBNWJGRYXMVRFA-LBPRGKRZSA-N 309.366 -0.994 30 20 DBED C#CCO[C@H](C)C(=O)NCC[C@H]1CCN(C(=O)CNC(C)=O)C1 1059053160 YGDILFZMSRBOEY-OCCSQVGLSA-N 323.393 -0.484 30 20 DBED Cc1nc(O)[nH]c1C(=O)N[C@H]1C[C@@H](N=c2cc[nH]c(C#N)n2)C1 1059743919 GDKAMQGQXJVBEU-DTORHVGOSA-N 313.321 -0.120 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CC[C@H](CNC(=O)[C@@H]2CNC(=O)N2)CC1 1060815174 KEEKTXPGLMHKFW-KKOKHZNYSA-N 321.381 -0.381 30 20 DBED C#CCCCC(=O)NC[C@H]1COCCN1C(=O)[C@H]1CCNC1=O 1061533972 FZNLTHMPKITSIK-STQMWFEESA-N 321.377 -0.730 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)c1ccnn1C 1061846514 OOWWXNGHZYCQDL-WDEREUQCSA-N 305.338 -0.463 30 20 DBED C=CCOCC(=O)N1CCCC[C@@H]1CNC(=O)Cn1nccn1 1062070151 ZYOSRSQLOJWRCB-CYBMUJFWSA-N 321.381 -0.022 30 20 DBED C#CCNC(=O)CC(=O)NC1(CNC(=O)C(F)F)CCC1 1062373967 RZGNWKXIVFHBEG-UHFFFAOYSA-N 301.293 -0.454 30 20 DBED N#Cc1cnc(NCCC2CCN(C(=O)C(N)=O)CC2)cn1 1063335153 WKFVBBPWHLFAAU-UHFFFAOYSA-N 302.338 -0.126 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)[C@]2(C)CCNC2=O)CCC1 1064540043 RSFJVHOKGLLXHZ-QMTHXVAHSA-N 306.366 -0.173 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CN(C(=O)CN2CCCC2)CCO1 1065172162 TXLDQKDUGVRULP-CHWSQXEVSA-N 308.382 -0.415 30 20 DBED C#CCOCCC(=O)N(C)CCCN(C)C(=O)CNC(N)=O 1066773281 BQKIRIWWWMGZQW-UHFFFAOYSA-N 312.370 -0.999 30 20 DBED C=CC(C)(C)C(=O)N1CC2(CN(C(=O)CC(=O)NC)CCO2)C1 1068387207 VLZJTZRAMMQQQE-UHFFFAOYSA-N 323.393 -0.226 30 20 DBED N#Cc1ccc(NC[C@H]2C[C@H](NC(=O)Cn3cnnn3)C2)nn1 1068449337 HAWNRFANOBYINS-HOMQSWHASA-N 313.325 -0.658 30 20 DBED C#CCOCCC(=O)NC1(CNC(=O)[C@H](C)C#N)CCOCC1 1070116774 LTGRZZUAVBTEPM-CYBMUJFWSA-N 321.377 -0.032 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)c2cc[nH]n2)CCOCC1 1070230864 HHAFCXHXYOFITE-SNVBAGLBSA-N 305.338 -0.035 30 20 DBED C=CCN[C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1c1cn(C)cn1 1070497623 JNYMKSXWCKHGGP-GXTWGEPZSA-N 315.381 -0.218 30 20 DBED C#CCN1CCOC[C@@H]1c1n[nH]c(CNC(=O)c2ncc[nH]2)n1 1070584574 AYTUZCWGQMXQGN-SNVBAGLBSA-N 315.337 -0.536 30 20 DBED CC#CCN1C[C@H]2C[C@@H]3CN(C(=O)[C@H]4CCC(=O)N4)C[C@@]3(C1)O2 1070775185 WSPPLIMIBZTWLV-VMUDFCTBSA-N 317.389 -0.410 30 20 DBED N#CCN1CCNC(=O)CCN(C(=O)c2cncnc2)CC1 1070957813 YAMDGYZEICDPNS-UHFFFAOYSA-N 302.338 -0.736 30 20 DBED C#CCC1(C(=O)N[C@H]2CN(C(=O)CNC(N)=O)C[C@@H]2C)CCC1 1071570321 OFCQFXNDMVMPPS-RYUDHWBXSA-N 320.393 -0.189 30 20 DBED C=C(C)CCC(=O)N1C[C@@H](NC(=O)Cn2ncnn2)[C@H](C)C1 1072222576 MJVPLLLEXZYAIO-VXGBXAGGSA-N 306.370 -0.008 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)C2CCN(C(N)=O)CC2)C1 1073885923 BVPWPQPLJANTKH-CQSZACIVSA-N 322.409 -0.383 30 20 DBED C#CCCN1CCO[C@@H]2CCN(C(=O)c3nccnc3N)C[C@H]21 1074195635 XXBMJPBBQVSMBH-CHWSQXEVSA-N 315.377 -0.003 30 20 DBED C#CCCCC(=O)N1CCC(O)(CNC(=O)c2cnon2)CC1 1074564362 PZLQHYBZPHCHIC-UHFFFAOYSA-N 320.349 -0.044 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCN(C(=O)CC(=O)NC)[C@H](C)C1 1074990933 NIJWJAJOZPGXQB-CHWSQXEVSA-N 323.393 -0.342 30 20 DBED C[C@@H](CCNC(=O)c1cc(C#N)c[nH]1)NC(=O)Cn1cnnn1 1076072793 MFJMOPUKKIAMHR-VIFPVBQESA-N 316.325 -0.802 30 20 DBED C=CCN1C[C@@H]2CCN(C(=O)[C@@H]3CN(C(C)=O)CCO3)[C@@H]2C1 1076517475 MXQICLRZGPXIQZ-ZNMIVQPWSA-N 307.394 -0.048 30 20 DBED C=CCOCCCC(=O)N[C@@H](C)CCNC(=O)Cn1ncnn1 1076649445 KTFLBLFTWKBTOY-LBPRGKRZSA-N 324.385 -0.333 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2COCCN2CC)C1 1077269291 VQXCIOBRBFNXOL-QLFBSQMISA-N 311.426 -0.165 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2ccn(-c3ccncc3)n2)C1 1077366574 PLROFDWBGOWWMQ-ZIAGYGMSSA-N 312.333 -0.434 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2nnn(C)c2C(F)(F)F)C1 1077801176 GIGXCBPKEIFJBZ-HTQZYQBOSA-N 317.271 -0.758 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)c2ccc(=O)n(CC)n2)C1 1077856945 RNWDVBOPWSDUOI-CHWSQXEVSA-N 304.350 -0.939 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)c2cn([C@H]3CCOC3)nn2)C1 1077966323 YSSRWKDRAPKKBS-OUCADQQQSA-N 321.381 -0.410 30 20 DBED C#CCN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)CN1CCN(C)C(=O)C1)C2 1078981391 QSSCGDCNJZYNSW-RBSFLKMASA-N 318.421 -0.637 30 20 DBED CCN(C(=O)CSCC#N)C1CN(C(=O)[C@@H]2CCNC2=O)C1 1079342212 DXPJMXYXBSTONN-LLVKDONJSA-N 324.406 -0.561 30 20 DBED C#CCNC(=O)CC(=O)N1CC(N(CC)C(=O)COC(C)C)C1 1079433813 QENPEYPHDXZZQR-UHFFFAOYSA-N 323.393 -0.390 30 20 DBED CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)c2ccc(C(N)=O)[nH]2)C1 1080416680 PYTGUQSTLRVZNS-SECBINFHSA-N 317.349 -0.054 30 20 DBED C[C@H](C#N)C(=O)NC1(CO)CCN(C(=O)CC(C)(C)O)CC1 1080979876 DEHMEKMHKODAIR-LLVKDONJSA-N 311.382 -0.223 30 20 DBED C=CCCn1cc(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)CC)C2)nn1 1081143672 DQNJUWREZVQFKK-WCQYABFASA-N 321.381 -0.187 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)c2cc[n+]([O-])cc2)C[C@H]1O 1081333179 PEOPHJHEBKKVHV-UONOGXRCSA-N 319.361 -0.165 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)Cc2nc[nH]n2)C[C@@H]1O 1081441796 MRCXPTYGXFNGDB-RYUDHWBXSA-N 319.365 -0.914 30 20 DBED CCN(C)CCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C#CC(C)C)C1 1081464301 XWNHSJURDLIJNV-LSDHHAIUSA-N 323.437 -0.077 30 20 DBED C=C(C)CCC(=O)NC[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1O 1081530811 KOYANMHQMDNSGL-GHMZBOCLSA-N 307.354 -0.290 30 20 DBED C=C(C)CCC(=O)NC[C@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1O 1081531093 OEHDKGPVQFDLFU-WCQYABFASA-N 321.381 -0.280 30 20 DBED C=CCCOCC(=O)NC[C@H]1CN(C(=O)c2ncc[nH]2)C[C@H]1O 1081569106 KPQNXNIHHMAUPU-NWDGAFQWSA-N 322.365 -0.449 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)Cc2ncc[nH]2)C1 1081692626 JJZYLAXZKLZJQA-NWDGAFQWSA-N 306.366 -0.146 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@H]1CNC(=O)CC(N)=O 1082303278 WNQAXMWGYOLSBY-XQQFMLRXSA-N 323.393 -0.050 30 20 DBED C=CCCN1C[C@@H](NC(=O)[C@@H]2CCCN2C(N)=O)[C@H](OC)C1 1082397301 RKSSPOODXPNDSX-FRRDWIJNSA-N 310.398 -0.079 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cc2n(n1)CCC2 1083100258 BSANUSCLPKPDEC-LSDHHAIUSA-N 300.362 -0.012 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)c2ccc3c(c2)OCC(=O)N3)C1 1083526766 IKENBJQLQKBJLN-OLZOCXBDSA-N 317.345 -0.022 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(CCn2cncn2)C[C@@H]1O 1083790038 LIDVJAJUROYQFM-MQYQWHSLSA-N 321.381 -0.970 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@H](C)N2CCCCC2=O)C1 1084087677 ZWPNFGFIPTVALQ-MJBXVCDLSA-N 307.394 -0.428 30 20 DBED C=C(C)CN1CC[C@@H]2CN(C(=O)CN3C(=O)CNC3=O)C[C@@H]2C1 1088193580 KSPNKGSPORCNSR-OLZOCXBDSA-N 320.393 -0.105 30 20 DBED CCN(c1cncc(C#N)n1)[C@H](C)CNC(=O)Cn1cnnn1 1089584614 CKWXRXUXACDZTE-SNVBAGLBSA-N 315.341 -0.634 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CN(c2snc(C)c2C#N)C[C@H]1O 1090404778 VFLABKBTTBPTHG-NXEZZACHSA-N 323.378 -0.875 30 20 DBED C=CCN1CC[C@@H](NC(=O)c2ccc3nnc(O)n3c2)[C@@H](O)C1 1090640085 GRMCNNLHMIATKQ-NEPJUHHUSA-N 317.349 -0.214 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)c2nccnc2C(N)=O)[C@H](O)C1 1090795414 WPTDKZUEUHFANF-WDEREUQCSA-N 319.365 -0.683 30 20 DBED CC(C)(C)OCC(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1091094531 UPJOHRLRIICRRH-NEPJUHHUSA-N 319.365 -0.171 30 20 DBED N#Cc1cccnc1N1C[C@H](O)[C@H](NC(=O)CCCC(N)=O)C1 1091113368 AAWGEKTURKSGRN-NEPJUHHUSA-N 317.349 -0.725 30 20 DBED Cn1cnn(CCC(=O)N2C[C@H]3CN(CC#N)C[C@@]3(C)C2)c1=O 1091881623 ROWGINRLORJWQU-DOMZBBRYSA-N 318.381 -0.724 30 20 DBED Cc1cc(C#N)nc(NCCNC(=O)C[C@H]2CCC(=O)N2)n1 1093724851 RGPGDDBCJCRQOC-SNVBAGLBSA-N 302.338 -0.147 30 20 DBED COC[C@]1(C(=O)NCCN=c2cc[nH]c(C#N)n2)CCOC1 1094009643 GILXLXHMRFCEKK-CQSZACIVSA-N 305.338 -0.649 30 20 DBED N#Cc1cnc(NCCNC(=O)[C@H]2CNC(=O)N2)c(Cl)c1 1094104999 YPHLPSBUGVWPES-SECBINFHSA-N 308.729 -0.184 30 20 DBED N#Cc1c[nH]ccc1=NCCNC(=O)[C@H]1CCCCC(=O)N1 1094113216 PWYAXJXDQMNAIM-CYBMUJFWSA-N 301.350 -0.038 30 20 DBED N#CCN1CC(N2C[C@@H](NC(=O)[C@H]3CCCOC3)CC2=O)C1 1094711698 LRBGFQAXHVQHTD-RYUDHWBXSA-N 306.366 -0.662 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)[C@@H]3CCNC(=O)C3)CC2=O)C1 1094721105 VBUINJOGFYNJHQ-NEPJUHHUSA-N 320.393 -0.900 30 20 DBED C[C@@H](CC(N)=O)C(=O)N1CC[C@@H](Nc2cncc(C#N)n2)C1 1095078008 XXVLMOSUPSUDPW-VHSXEESVSA-N 302.338 -0.127 30 20 DBED C[C@@H](CC(N)=O)C(=O)N1CC[C@H](N(C)c2cncc(C#N)n2)C1 1095151599 MATUPVFBFAIOSN-JQWIXIFHSA-N 316.365 -0.103 30 20 DBED CCc1nc(C#N)cc(N(C)CCCNC(=O)CC(=O)NC)n1 1095527719 MHFYFKYWGCFRGJ-UHFFFAOYSA-N 318.381 -0.011 30 20 DBED CNC(=O)NCCC(=O)N[C@H]1C[C@@H](Nc2ccc(C#N)nn2)C1 1097179520 FIWAHSNADBMGCT-PHIMTYICSA-N 317.353 -0.274 30 20 DBED Cc1nsc(N[C@@H](C)CNC(=O)[C@H]2CNC(=O)N2)c1C#N 1098251627 XCRJZEHSYPUIFZ-IMTBSYHQSA-N 308.367 -0.079 30 20 DBED CC(C)(C)C#CC(=O)N[C@H]1CCN(CC(=O)NCC#N)C[C@@H]1O 1099827647 YFKOQSBAUFMTGT-STQMWFEESA-N 320.393 -0.773 30 20 DBED Cn1cc(CN2CC[C@H](NC(=O)C#CC(C)(C)C)[C@H](O)C2)nn1 1099829778 IINJZJVSGVXJPQ-UONOGXRCSA-N 319.409 -0.084 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@H]2CN(CCOCCO)C[C@@]2(C)C1 1101233511 MVEABOQIFGILBJ-INMHGKMJSA-N 324.421 -0.186 30 20 DBED C#CCN1C[C@@H]2CN(C(=O)CN(C)S(C)(=O)=O)C[C@]2(C)C1 1101256328 QHXYLVQFPAQMAJ-OCCSQVGLSA-N 313.423 -0.709 30 20 DBED C=CCN1CC2(C[C@@H](NC(=O)CNC(=O)NC)c3nccn32)C1 1101630350 FHFCXKTZQHRODU-LLVKDONJSA-N 318.381 -0.430 30 20 DBED CN(CCNc1cnc(C#N)cn1)C(=O)C[C@@H]1CCNC1=O 1101823111 OHGVFPKNQISYCM-JTQLQIEISA-N 302.338 -0.255 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H]1CN(CCC[C@@H](C)O)C[C@H]1C 1101900378 MCJJULUWLOWEHY-RBSFLKMASA-N 323.437 -0.029 30 20 DBED CCN1C[C@@H](C(=O)N(C)CCN=c2cc[nH]c(C#N)n2)CC1=O 1102004482 RJKUNCQNNIOAOK-NSHDSACASA-N 316.365 -0.491 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)C2CC(OC)C2)C1 1102072174 GTBBTNPEIHKFCD-FEWQNLEASA-N 321.421 -0.155 30 20 DBED C[C@H](CNC(=O)Cn1ncnn1)CNc1ncc(C#N)cc1F 1104094821 IYVQGRBEZIPWSL-SECBINFHSA-N 318.316 -0.057 30 20 DBED CC(C)[C@@H](O)C(=O)NC[C@@H]1CN(c2ccnc(C#N)n2)CCO1 1104305771 WZLPDCSBNQVFKI-BXUZGUMPSA-N 319.365 -0.313 30 20 DBED C[C@H](CC(=O)N(C)[C@H](C)CN=c1cc[nH]c(C#N)n1)NC(N)=O 1104684710 CLXCIUYFHBJXLF-NXEZZACHSA-N 319.369 -0.524 30 20 DBED C[C@H](CNc1cncc(C#N)n1)N(C)C(=O)[C@@H]1CN(C)C(=O)N1 1104765989 AOONUKIYIKJSSZ-KOLCDFICSA-N 317.353 -0.369 30 20 DBED CN1CCO[C@@H](C(=O)N(C)CCN(C)c2ccc(C#N)nn2)C1 1105355429 NDUPRSXCVGKMJW-CYBMUJFWSA-N 318.381 -0.427 30 20 DBED C[C@@H]1CN(C(=O)c2cnccn2)C[C@H]1CNCC(=O)NCC#N 1105775879 MVZRLAMSEKLLPO-VXGBXAGGSA-N 316.365 -0.586 30 20 DBED COCC(C)(C)C(=O)NC[C@@H](O)CNc1cncc(C#N)n1 1106022759 IDWXFLRYXRTRKX-NSHDSACASA-N 307.354 -0.090 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@H](O)CNc1ccnc(C)n1 1106155425 YIVMBWRFBNJEEA-KBPBESRZSA-N 317.393 -0.228 30 20 DBED C[C@@H](CCNc1ccc(C#N)nn1)NC(=O)CCn1cnnn1 1106418246 FFOWQOHLOHACLN-JTQLQIEISA-N 315.341 -0.268 30 20 DBED C[C@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)Cc1nc[nH]n1 1106435837 VSWUKHHMBIRANF-SECBINFHSA-N 300.326 -0.562 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)[C@@H](COC)OC 1106937633 DQACHEMXSPENSY-LLVKDONJSA-N 307.354 -0.308 30 20 DBED CNC(=O)NCC(=O)NC/C=C\CNc1ccc(C#N)nn1 1107572054 QSDMFVOYNIPPFE-IHWYPQMZSA-N 303.326 -0.638 30 20 DBED C[C@H]1CCN(C(=O)C(=O)NC[C@@]2(C)CN(CC#N)CCO2)C1 1108332254 YQPZQMYWCIOZQJ-WFASDCNBSA-N 308.382 -0.415 30 20 DBED COc1c(C(=O)NC[C@@]2(C)CN(CC#N)CCO2)cnn1C 1108369089 JSPSDWMKMWCWDG-AWEZNQCLSA-N 307.354 -0.227 30 20 DBED C=CCCN1CC(N2C[C@H](NC(=O)[C@H](C)CC(N)=O)CC2=O)C1 1108561363 XYTFPWRLXLJTGX-VXGBXAGGSA-N 322.409 -0.525 30 20 DBED CC#CCN1CC(N2C[C@@H](NC(=O)CCN(C)CC)CC2=O)C1 1108585124 NXCHXAPUQZBSEZ-AWEZNQCLSA-N 320.437 -0.247 30 20 DBED C=CCNC(=O)CN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cnn[nH]1)C2 1108719319 NWBVNBRNBUNBIT-TUAOUCFPSA-N 318.381 -0.310 30 20 DBED CC(=O)N(C)CC(=O)N[C@@H](C)CN(C)c1cnc(C#N)cn1 1108827130 HPLNIZVAUPLYKY-JTQLQIEISA-N 304.354 -0.233 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C[C@H](C)OC 1109052985 HXPRXZANHMJCRV-CRWXNKLISA-N 307.394 -0.118 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCOCC#C 1109270941 YNVDXJLWYIOQIO-ILXRZTDVSA-N 317.389 -0.503 30 20 DBED C#CCNC(=O)CC(=O)N(C)CCCNc1cnc(C#N)cn1 1109408988 DXXDZKPBBPPASM-UHFFFAOYSA-N 314.349 -0.252 30 20 DBED CN(CCCNc1ccc(C#N)nn1)C(=O)[C@H]1CCNC1=O 1109579018 YWXMBZGNOZVCQW-NSHDSACASA-N 302.338 -0.255 30 20 DBED CN(CCCN=c1cc[nH]c(C#N)n1)C(=O)C1(C(N)=O)CC1 1109612986 BVTRASIMVYFJTH-UHFFFAOYSA-N 302.338 -0.704 30 20 DBED N#Cc1ccc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)C2(C(N)=O)CC2)nc1 1109739633 DMKNRRPDQNLVLD-MDZLAQPJSA-N 311.345 -0.088 30 20 DBED Cn1nnc(C(=O)N[C@H](CN=c2cc[nH]cc2C#N)C2CC2)n1 1109967520 WUOZSBALPJNFLA-GFCCVEGCSA-N 312.337 -0.481 30 20 DBED N#Cc1cnc(NC2(CNC(=O)[C@H]3COCCO3)CC2)cn1 1110058423 JSLNUEAAXKTWSN-LLVKDONJSA-N 303.322 -0.176 30 20 DBED COC(=O)NCC(=O)NCC1(N=c2cc[nH]cc2C#N)CC1 1110066342 FNHGQQSKBTZBJN-UHFFFAOYSA-N 303.322 -0.208 30 20 DBED N#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCNC(=O)[C@@H]1CCCO1 1110200536 LZEPLOUOGLRTSW-RFGFWPKPSA-N 320.393 -0.083 30 20 DBED C[C@H]1CN(C(=O)CNC(N)=O)C[C@@H]1CNc1ccc(C#N)nn1 1111240832 JGCKSBLUVBDDQK-UWVGGRQHSA-N 317.353 -0.477 30 20 DBED C#CCO[C@H](C)C(=O)N(CCO)CCNc1ncc(F)cn1 1111510813 MIAKZIQVLACOTR-LLVKDONJSA-N 310.329 -0.113 30 20 DBED C=CCOCCN1C[C@@H]2CCC[C@]2(NC(=O)CNC(N)=O)C1 1111586279 OYABMXXSORGYPM-WFASDCNBSA-N 310.398 -0.172 30 20 DBED C=CCOCCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CNC(=O)N2)C1 1111854850 WCEJFBNQPNIXCH-ZENOOKHLSA-N 322.409 -0.159 30 20 DBED C#CCNC(=O)CC(=O)N1CCN(C[C@H]2CC[C@H](C)O2)CC1 1112777740 KOKNHRLVXDOASB-UONOGXRCSA-N 307.394 -0.162 30 20 DBED C=C[C@@](C)(CCOC)C(=O)N1CCN(CC(=O)NCC#N)CC1 1113161872 NAWSCKTWACJXRT-INIZCTEOSA-N 322.409 -0.001 30 20 DBED C=CCOCCN1CCN(C(=O)CS(=O)(=O)N(C)C)CC1 1113596547 PHVAZOOCMDVHDB-UHFFFAOYSA-N 319.427 -0.775 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)c3ccnn3C)[C@H]2C1 1113990243 LUYZCBMQAYHILI-SRVKXCTJSA-N 315.377 -0.782 30 20 DBED C=CCOCC(=O)NC1[C@H]2CN(CC(=O)Nc3ccon3)C[C@H]12 1114051086 OIHNKUNJFUZBTP-QWRGUYRKSA-N 320.349 -0.138 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1[C@@H]2CN(C[C@@H](CC)OC)C[C@@H]21 1114160491 ZGRFRHPBJQBODP-FOCJUVANSA-N 307.394 -0.403 30 20 DBED N#CCNC(=O)CN1C[C@H]2C(NC(=O)c3ccns3)[C@@H]2C1 1114343444 OPQNXLYONJKJRF-RKDXNWHRSA-N 305.363 -0.557 30 20 DBED N#Cc1cnc(N2CCCCC[C@@H]2CNC(=O)C(N)=O)cn1 1114377706 QIUXPJZFYNPUFD-LLVKDONJSA-N 302.338 -0.301 30 20 DBED C=CC(C)(C)C(=O)NC1[C@H]2CN(CCN3C(=O)CNC3=O)C[C@H]12 1114686973 VKRXYGDYDRGVRZ-QWRGUYRKSA-N 320.393 -0.203 30 20 DBED Cc1cc(C#N)nc(NC[C@H]2C[C@H](NC(=O)CC(N)=O)C2)n1 1114742590 CQCCYVOWHZBGBG-MGCOHNPYSA-N 302.338 -0.161 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)Cc3[nH]cnc3C)[C@H]2C1 1115170145 MJXMEUQFSYVJCN-VIKVFOODSA-N 302.378 -0.043 30 20 DBED CN(CCOCCNC(=O)c1cnn[nH]1)c1cnc(C#N)cn1 1115268917 NSVRZPFWHIVOFS-UHFFFAOYSA-N 316.325 -0.651 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@@H](C)c1ncn(C)n1)[C@H]1CCCO1 1117580733 GGNHVWDTVXYQMU-GARJFASQSA-N 305.338 -0.711 30 20 DBED CC#CC[C@@H](CO)NC(=O)c1cn(C)c2c(cnn2C)c1=O 1118378402 OFUMYTRLKFAISD-JTQLQIEISA-N 302.334 -0.224 30 20 DBED C#CCOCCNC(=O)C(=O)N1C[C@@H]2CCC[C@]2(C(=O)OC)C1 1119473329 QCKSVDTXESHLPV-LRDDRELGSA-N 322.361 -0.446 30 20 DBED Cc1ncc(C(=O)NC[C@@H](CO)Nc2nccnc2C#N)[nH]1 1121235742 QWRSSXZMOHDQNI-VIFPVBQESA-N 301.310 -0.417 30 20 DBED Cc1cc[nH]c1C(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1 1121387148 NQZBMSPFCWGAFJ-SNVBAGLBSA-N 300.322 -0.391 30 20 DBED COCC[C@H](C)C(=O)N(C)C[C@H](O)CN=c1cc[nH]c(C#N)n1 1124363926 AJLAUYPORDHWQC-NWDGAFQWSA-N 321.381 -0.326 30 20 DBED CN(C[C@@H](O)CNc1nccnc1C#N)C(=O)c1cnon1 1124466189 JWBLPDXMNNFILJ-QMMMGPOBSA-N 303.282 -0.724 30 20 DBED C#CCNCc1nnc2n1CC[C@H](NC(=O)c1ncc[nH]1)CC2 1127983833 CBEQRQQYPSSNTG-LLVKDONJSA-N 313.365 -0.141 30 20 DBED C=CCN1CCn2ncc(CNC(=O)Cn3ncnn3)c2C1 1128366881 NPZUHEAFOGUNSC-UHFFFAOYSA-N 302.342 -0.812 30 20 DBED C=C(C)CCN[C@@H]1CN(C(=O)C(N)=O)C[C@H]1c1cncn1C 1131060174 XRJSDIVANGMVGB-VXGBXAGGSA-N 305.382 -0.244 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1cnc2nccn2c1 1131342944 QLNYGVVVGZUSFU-NSHDSACASA-N 314.349 -0.813 30 20 DBED C=CCOCC(=O)N[C@@H]1CC[C@@H](C)N(CC(=O)NCC#N)C1 1131947669 XKHYOOPMUANBHQ-CHWSQXEVSA-N 308.382 -0.202 30 20 DBED C#CCN[C@H](C)C[C@@H](C)NC(=O)CCc1nnc(O)nc1O 1134864342 VIRAFYHCJYDDQN-NXEZZACHSA-N 307.354 -0.279 30 20 DBED C=CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)C1(C(=O)NC)CC1 1135675721 KSZVFAYTMCBAOI-NWDGAFQWSA-N 324.425 -0.312 30 20 DBED C=CCNC(=O)CN1CCC2(C1)CN(C(=O)c1cnn(C)c1)C2 1146966109 SGFMYXUHSCGMJY-UHFFFAOYSA-N 317.393 -0.130 30 20 DBED C=CCNC(=O)CN1CCC2(C1)CN(C(=O)Cc1cnc[nH]1)C2 1148352005 XJZSEYOQACOIAC-UHFFFAOYSA-N 317.393 -0.211 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)C[C@H]1CCCCC(=O)N1 1149113291 QRRNDDNSLKMBAV-QWHCGFSZSA-N 324.425 -0.168 30 20 DBED C[C@@H](C(=O)NC[C@@H]1CN(CC(=O)NCC#N)CCCO1)C1CC1 1149472618 GLQOMQHVJYBJTH-TZMCWYRMSA-N 322.409 -0.121 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CCCC(=O)N1C 1149478075 ZUDKCLMZSPTGPJ-RYUDHWBXSA-N 310.398 -0.606 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)CC(=O)N(C)C 1155680885 ARVGDPAOFUFAND-GFCCVEGCSA-N 310.398 -0.959 30 20 DBED C#CCNC(=O)CC(=O)NCCCNCc1cn(CC)nn1 1156852729 MHHPZFBYGOWQIS-UHFFFAOYSA-N 306.370 -0.967 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)c2cnnn2C)C1=O 1157342833 CCRMXLNXACHHLC-LLVKDONJSA-N 306.370 -0.689 30 20 DBED CCNC(=O)NC(=O)[C@@H](C)NCCCNC(=O)C#CC1CC1 1157699003 MBFHZWZZQJWAKP-LLVKDONJSA-N 308.382 -0.270 30 20 DBED C#CCO[C@H](C)C(=O)NCCCNCCNS(=O)(=O)CC 1157880362 OOOISMXKGHVSRN-GFCCVEGCSA-N 319.427 -0.940 30 20 DBED C#CCN1CC=C(CCNC(=O)CCCS(N)(=O)=O)CC1 1161061480 AYVGINKOJAQXTR-UHFFFAOYSA-N 313.423 -0.173 30 20 DBED C#CCN1CCC(CNC(=O)CN(C)C(C)=O)(COC)CC1 1162111694 DURRDGZSWFIIHV-UHFFFAOYSA-N 309.410 -0.057 30 20 DBED C=C(Br)CNCCCNC(=O)c1nnn(C)n1 1164147617 FMZVPHFPPFXQNF-UHFFFAOYSA-N 303.164 -0.172 30 20 DBED COCC#CCNCCCNC(=O)c1cc(C)c(C(N)=O)cn1 1167046044 UTIIAAJNDLNWFO-UHFFFAOYSA-N 318.377 -0.152 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)NCCCNCC(=O)NCC 1167684994 ONNLOINTXUFXFQ-CYBMUJFWSA-N 312.414 -0.311 30 20 DBED C#CCNCCCC[C@H](C)NC(=O)[C@@H]1CCN(C)S1(=O)=O 1175644664 OZIWHBJCSUZHMK-STQMWFEESA-N 315.439 -0.082 30 20 DBED CC#CCNCCCC[C@H](C)NC(=O)[C@H]1CCS(=O)(=O)N1 1176639397 UWFNWRJETJAOBE-QWHCGFSZSA-N 315.439 -0.034 30 20 DBED CN(CC(=O)N1CC[C@H]2OCCN(CC#N)[C@H]2C1)C(=O)C1CC1 1177029826 JPSQQVBSBYRGEK-UONOGXRCSA-N 320.393 -0.320 30 20 DBED C=CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)Cn2cncn2)[C@H]1C 1180079440 UZJFVEJIEMLTIU-AVGNSLFASA-N 320.397 -0.452 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](NCc2cc(C)no2)C1 1182134845 ZKZIMFPHBFXCDO-GFCCVEGCSA-N 304.350 -0.187 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)[C@@]23COC[C@@H]2C3)C1 1190257136 COYHMPVRXZPVFA-ZENOOKHLSA-N 307.394 -0.142 30 20 DBED C#CCCCCC(=O)N[C@@H]1CN(Cc2cnn(C)n2)C[C@H]1O 1192288260 HVVABHAZMBHBKG-ZIAGYGMSSA-N 305.382 -0.330 30 20 DBED CN(C)CCCCC(=O)N1CC[C@@H](N(C)CC(=O)NCC#N)C1 1193571648 UHZXYMPQPLOUQF-CQSZACIVSA-N 323.441 -0.109 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)CCCC(N)=O)C1 1194485564 VUPSVZILGFHIIN-GFCCVEGCSA-N 310.398 -0.523 30 20 DBED Cn1nnc(CN2CCCN(C(=O)CSCC#N)CC2)n1 1194912825 KDGCMFBSPFYJIY-UHFFFAOYSA-N 309.399 -0.499 30 20 DBED Cc1cc(C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@H]2O)c(C)[nH]1 1196437000 HBXXCCMSSYZPPV-CHWSQXEVSA-N 319.365 -0.954 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CN(CCCCOC)C[C@H]2O)nn1 1196764882 MZJSLRRSJNDOMC-TZMCWYRMSA-N 323.397 -0.334 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCCN(C(=O)c2n[nH]cc2F)CC1 1197068093 BWTKDPRTTUOYBC-LLVKDONJSA-N 321.356 -0.165 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)CNC(=O)c2cscn2)C1 1197551465 LMFGGSQZIJFZRW-ZYHUDNBSSA-N 324.406 -0.390 30 20 DBED CC#CCNC[C@H]1CN(C(=O)[C@@H]2CCC(=O)NC2)CCCO1 1200865583 KNVLKDQQGNTQSB-KGLIPLIRSA-N 307.394 -0.257 30 20 DBED C#CCNC[C@H]1CN(C(=O)C2(C(=O)N(C)C)CC2)CCCO1 1201834485 XHGRCXNKGGLTDX-ZDUSSCGKSA-N 307.394 -0.305 30 20 DBED C=C(C)CNC[C@@H]1CN(C(=O)CS(=O)(=O)NC)CCCO1 1202088501 VFAGLRLWQQTEKF-GFCCVEGCSA-N 319.427 -0.681 30 20 DBED C#CCNC[C@@H]1CN(C(=O)[C@@H](C)CS(C)(=O)=O)CCCO1 1202174151 QTPDMDZFFJDMKW-QWHCGFSZSA-N 316.423 -0.493 30 20 DBED C=CCN[C@H]1C[C@H](NC(=O)CNS(=O)(=O)NC)C12CCC2 1203232510 WNEIFQQDCHNZHE-QWRGUYRKSA-N 316.427 -0.757 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CNCCN2CCNC2=O)CC1 1204804920 IJKSOQRLBGMQEH-LBPRGKRZSA-N 307.398 -0.001 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)c2ccnn2C)[C@H](C)C1 1206428849 HDFCLVGUHSEWIR-VXGBXAGGSA-N 305.382 -0.228 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)c2ncc[nH]2)[C@H](C)C1 1206938130 IQJOBNBYYOBKOO-GRYCIOLGSA-N 303.366 -0.402 30 20 DBED C=C(C)CN[C@H]1CCCN(C(=O)CNS(=O)(=O)N(C)C)C1 1209883632 MAGPXHFHSXASHL-LBPRGKRZSA-N 318.443 -0.461 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCN(C(=O)CCc2cn[nH]c2)C1 1210036334 CUXIEEVSUXTULJ-CYBMUJFWSA-N 318.381 -0.437 30 20 DBED COCC#CCN1C[C@@H](NC(=O)c2cc[n+]([O-])cc2)[C@H](OC)C1 1211795550 SUYTWHCORSHHDY-HUUCEWRRSA-N 319.361 -0.601 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)C2(COC)CC2)C[C@H]1C 1215139805 IXVSVRMTIRALCJ-CHWSQXEVSA-N 307.394 -0.401 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)CCCCC(N)=O)C[C@H]1C 1216307063 XXXLAWMSLAQKCK-CHWSQXEVSA-N 322.409 -0.782 30 20 DBED CC#CCCCC(=O)N1CCO[C@@H]2CN([C@H]3CCNC3=O)C[C@@H]21 1218486970 HRUHQQGFKGYOKZ-SOUVJXGZSA-N 319.405 -0.020 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CN(CC(=O)N(C)CC2CC2)C[C@@H]1O 1219378693 CHGJWNZGXFRBGD-UHTWSYAYSA-N 308.382 -0.824 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)C(C)(C)CN2CCOCC2)C1 1219877419 FFPXLUWDEWKDGS-CABCVRRESA-N 323.437 -0.471 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C2(C)C[C@@H]3C[C@H]3C2)C1 1220052042 QAAHHEGUPRFAIL-FQUUOJAGSA-N 319.405 -0.667 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@@H]2CN(C(=O)CCN(C)C)[C@@H]2C1 1221793248 XSCMBLFRXVCQPX-RBSFLKMASA-N 320.437 -0.391 30 20 DBED N#CCNC(=O)CN1CCC(CNC(=O)c2cnon2)CC1 1224894574 MRZGXYWXLXSLHZ-UHFFFAOYSA-N 306.326 -0.849 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)c2[nH]c(C)nc2C)CC1 1229210039 ZFBSAVOAPLKRQC-UHFFFAOYSA-N 317.393 -0.030 30 20 DBED C=CCCN1CCC(NC(=O)CNS(=O)(=O)N(C)C)CC1 1229377032 OCTLSGBVMKZDMT-UHFFFAOYSA-N 318.443 -0.461 30 20 DBED C#CCCN[C@@H]1CCCC[C@H]1NC(=O)Cn1c(O)nnc1O 1229948904 APOJVKYHIYILGP-GHMZBOCLSA-N 307.354 -0.270 30 20 DBED C#CCNC(=O)CC(=O)N(C)C[C@H]1CCN1CCn1cccn1 1233811498 YJBDKRJQYBSCAH-CQSZACIVSA-N 317.393 -0.445 30 20 DBED C=CCCn1cc(C(=O)N2CC[C@@H]3OCC(=O)N[C@H]3C2)nn1 1261438634 LMPANXDKFWUWKE-JQWIXIFHSA-N 305.338 -0.416 30 20 DBED N#CCCN1CCN(C(=O)C(=O)N2O[C@H]3C=C[C@H]2CC3)CC1 1261869356 MTHGFGLSMIQDLI-STQMWFEESA-N 304.350 -0.095 30 20 DBED Cc1cc(NC(=O)C(=O)N2CC(CC(N)=O)C2)nn1CCC#N 1321254308 SNMROCOZNYGZKV-UHFFFAOYSA-N 318.337 -0.623 30 20 DBED C=CCn1cc(CNC(=O)C(=O)NC[C@@H]2COC(C)(C)O2)nn1 1326238757 NVWJMSLEHSHBIT-LLVKDONJSA-N 323.353 -0.652 30 20 DBED COc1cc(C(=O)NCC#CCO)sc1S(N)(=O)=O 1327096005 GFSMCLWYLJUICP-UHFFFAOYSA-N 304.349 -0.870 30 20 DBED Cc1cc(NC(=O)C(=O)N[C@H](C)C(=O)NCCF)ncc1C#N 1327618602 FOOSWQIBWHFFMN-SECBINFHSA-N 321.312 -0.209 30 20 DBED C=CCn1cc(CNC(=O)N2CCO[C@H](CNC(C)=O)C2)nn1 1332026400 DZUIDWKTHNAJOJ-CYBMUJFWSA-N 322.369 -0.489 30 20 DBED C[C@H](CNC(=O)C(=O)N1CCO[C@H](C#N)C1)Cn1cccn1 1340710781 SFYYOZCAAQRIIE-VXGBXAGGSA-N 305.338 -0.614 30 20 DBED C[C@@H]1C[C@H](NC(=O)C(=O)NC2CCN(CC#N)CC2)CCN1C 1341936653 WADHXMKJAHQYHV-TZMCWYRMSA-N 321.425 -0.311 30 20 DBED C=CCNC(=O)Cn1nnnc1N1CCC([C@H](C)CO)CC1 1352316141 ZEUXHFBWHQERMQ-LLVKDONJSA-N 308.386 -0.180 30 20 DBED C=CCN(C(=O)c1cn(C)c(=O)n1C)[C@H]1CCS(=O)(=O)C1 1353875677 JMDFACOSUYETLO-JTQLQIEISA-N 313.379 -0.461 30 20 DBED CC1(OCC(=O)NCCn2cc(C#N)c(O)nc2=O)CCC1 1362689151 NZPNFKLMXJRWHY-UHFFFAOYSA-N 306.322 -0.104 30 20 DBED C[C@@]1(CO)C[C@@H](O)CN1C(=O)CNC(=O)c1ccc(C#N)cc1 1364088036 DWQJCYTYLOEHBO-CJNGLKHVSA-N 317.345 -0.368 30 20 DBED C[C@H](CNC(=O)CCn1ccnn1)NC(=O)c1cc(C#N)c[nH]1 1372852194 MODMPYZJBSHTIY-SNVBAGLBSA-N 315.337 -0.197 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](C)NC(=O)c1cccn2c(O)nnc12 1373075506 SKSBYHMKBQRDCP-DTWKUNHWSA-N 316.321 -0.171 30 20 DBED C=C(Cl)CNC[C@H](O)CNC(=O)c1cc(OC)ncn1 1379204774 CIJMCWGQRTXNHL-VIFPVBQESA-N 300.746 -0.082 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H](C)CNC(=O)c1cccc(C(N)=O)n1 1380783407 WZFCMZRDWBNZQN-VHSXEESVSA-N 317.349 -0.083 30 20 DBED Cc1ccn(CC(=O)N[C@@H](C)CNC(=O)[C@@H](C)C#N)c(=O)c1 1387088429 SWPOZPDSSWGAEB-RYUDHWBXSA-N 304.350 -0.063 30 20 DBED C[C@H](C#N)C(=O)NC1CN(C(=O)c2ccc(C(N)=O)cn2)C1 1387807538 YUCUYCIVTUBWOI-MRVPVSSYSA-N 301.306 -0.719 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@@H](O)CNC(=O)c2cc(F)c[nH]2)c1 1399816116 HOPIPCOIGWYRED-SNVBAGLBSA-N 319.296 -0.126 30 20 DBED CC[C@H](CNC(=O)CCS(=O)(=O)NC)NC(=O)[C@H](C)C#N 1409265725 BQROCECFZDNMMD-NXEZZACHSA-N 318.399 -0.904 30 20 DBED N#Cc1ccc(CNC(=O)N2CC[C@@H](CS(N)(=O)=O)C2)nc1 1414650907 KDURDVGRFWFTCY-LLVKDONJSA-N 323.378 -0.227 30 20 DBED C[C@H](C#N)C(=O)NC1CCN(C(=O)[C@@H]2CN(C)CCO2)CC1 1414659348 JJBGDJCHJQZATH-YPMHNXCESA-N 308.382 -0.416 30 20 DBED C[C@H](C#N)C(=O)NC1CCC(NC(=O)Cn2ncnn2)CC1 1415089540 QUXMZNKVIRTKDS-KPPDAEKUSA-N 305.342 -0.624 30 20 DBED C[C@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)Cc1nc[nH]n1 1416863719 MFCWNCASAXNGMF-MRVPVSSYSA-N 301.310 -0.518 30 20 DBED N#Cc1ccc(N2CCN(C(=O)Cn3cnc(N)n3)CC2)nc1 1417617140 FDHYZJZNCDOTPT-UHFFFAOYSA-N 312.337 -0.524 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNCC(=O)NCc1ccccc1 1420111478 OKCXJHRUYDKDRR-OCCSQVGLSA-N 318.377 -0.471 30 20 DBED Cn1cc(Br)c(Cn2c(=O)[nH]cc(C#N)c2=O)n1 1421407446 GAXGMPKCVUFPMC-UHFFFAOYSA-N 310.111 -0.047 30 20 DBED N#CCC1(O)CN(CC2=Nc3ccccc3S(=O)(=O)N2)C1 1421730465 ZAKLVZYHTKGILP-UHFFFAOYSA-N 306.347 -0.031 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@@H]1CCCN(C(=O)CCn2cnnn2)C1 1428940898 AAELCVKPNYTJQW-NWDGAFQWSA-N 319.369 -0.328 30 20 DBED C[C@@H](C#N)C(=O)N(C)C[C@H]1CCN(C(=O)Cn2cnnn2)C1 1430070093 KMSYOBMRLCHSIK-WDEREUQCSA-N 305.342 -0.860 30 20 DBED C[C@H](C#N)C(=O)N1CC(CNC(=O)C[C@@H]2CCCC(=O)N2)C1 1432462393 NVKLDTCYBPEEIA-PWSUYJOCSA-N 306.366 -0.221 30 20 DBED Cc1onc(CC(=O)N2CCC(S(N)(=O)=O)CC2)c1C#N 1443284805 NJFBGIFUESONFN-UHFFFAOYSA-N 312.351 -0.323 30 20 DBED C[C@@H](C#N)C(=O)N1CCCO[C@@H](CNC(=O)Cc2cc[nH]n2)C1 1445237172 FPSQTAKTHXOERZ-AAEUAGOBSA-N 319.365 -0.154 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CCN(C(=O)CCN2CCOCC2)C1 1454875814 LFXNCHSEZUGKNC-UONOGXRCSA-N 322.409 -0.167 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1ocnc1C1CC1 1458037187 QKGRZYVHZCGGNW-SCZZXKLOSA-N 306.322 -0.081 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCN(C)CC(=O)NC(=O)NC1CC1 1496680290 ROJRVYZSLLXEIR-JTQLQIEISA-N 309.370 -0.476 30 20 DBED CCC(=O)NCC(=O)NC[C@H]1CN(C(=O)[C@H](C)C#N)CCCO1 1512346977 TWJCENRCPAWOIZ-NEPJUHHUSA-N 324.381 -0.594 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)CNC(=O)O)c3nccn32)C1 1573311579 UJDXMPZGWHXMKG-SNVBAGLBSA-N 303.322 -0.644 30 20 DBED C=C[C@@H]1OCCC[C@H]1NS(=O)(=O)c1cnn(CC(=O)O)c1 1573379442 ILSHQRXZXRCQQJ-MNOVXSKESA-N 315.351 -0.020 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@@H](C)CN=c1cc[nH]c(-c2nn[nH]n2)n1 1573558829 PYBPPNYZQMAROG-IUCAKERBSA-N 315.341 -0.503 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNc1ncccc1-c1nn[nH]n1 1573577418 PBSBYLRQDDKICO-IUCAKERBSA-N 316.325 -0.690 30 20 DBED C#CC[C@H](NC(=O)C1(C2(O)CCNCC2)CCC1)C(=O)OC 1574504389 HWRDVOFNBDRDEH-LBPRGKRZSA-N 308.378 -0.048 30 20 DBED C#C[C@H]1COCCN1C(=O)C(=O)N1CCC2(CC1)C[C@@H]2C(=O)O 1588384067 UJZQWFWWPUZTQJ-NWDGAFQWSA-N 320.345 -0.440 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)NCc1ncc(C(=O)O)s1 1588464972 YUSJDDNLIUISEG-UHFFFAOYSA-N 319.342 -0.057 30 20 DBED C[C@@H](C#N)C(=O)NCCCN(C)c1cnc(-c2nn[nH]n2)cn1 1588929318 YBUZJOUOAXCMOV-VIFPVBQESA-N 315.341 -0.241 30 20 DBED CO[C@H]1CN(c2cnc(-c3nn[nH]n3)c(C#N)n2)C[C@H]1OC 1591472850 IIULDIWUOSBXPE-DTORHVGOSA-N 302.298 -0.622 30 20 DBED N#Cc1cn(CC(=O)O)c(=O)n(CC2CCC(=O)CC2)c1=O 1594632817 DGIAQGBICKXLLK-UHFFFAOYSA-N 305.290 -0.274 30 20 DBED N#Cc1cccn(CN2CC[C@@H](n3cc(C(=O)O)nn3)C2)c1=O 1601127040 AFLUCSQXLHNBPZ-LLVKDONJSA-N 314.305 -0.086 30 20 DBED N#Cc1ncccc1S(=O)(=O)N[C@@]1(CC(=O)O)CCOC1 1601135260 MNOHCSNYPVDXEM-GFCCVEGCSA-N 311.319 -0.135 30 20 DBED CC(C)(C#N)CNC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)cn1 1603034650 NVIZQNXCQLDGHL-UHFFFAOYSA-N 314.309 -0.134 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2C[C@@H](NC[C@@H](O)COC)C2)cn1 1661678009 CQNAUVCZRNNJJY-QLFBSQMISA-N 303.362 -0.079 30 20 DBED C=CCNC[C@H]1CCN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 1752953803 LCEJFOXLDHZJBA-LLVKDONJSA-N 316.365 -0.305 30 20 DBED Cc1nccn1CC(=O)NC[C@H]1CCCN1CC(=O)NCC#N 1753116710 YRJPXCOQJAPFTJ-CYBMUJFWSA-N 318.381 -0.588 30 20 DBED C#CCNC(=O)[C@H](C)N1CC(CNC(=O)c2cnnc(C)c2)C1 1753401220 XBCFZLOJFQSABO-LBPRGKRZSA-N 315.377 -0.415 30 20 DBED C#CCNC(=O)CNC[C@H]1[C@@H](C)CCCN1C(=O)c1nc[nH]n1 1753812292 ORJAWRGTLANJKX-RYUDHWBXSA-N 318.381 -0.616 30 20 DBED C#CCCNC[C@H](O)CNC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 1753918733 BMRISPMBYYYKTQ-CABCVRRESA-N 321.421 -0.275 30 20 DBED CC1(NCC(=O)NCC#N)CCN(C(=O)Cc2ncc[nH]2)CC1 1755133806 DERNXPQLBGMVIB-UHFFFAOYSA-N 318.381 -0.437 30 20 DBED C=CCN1CC[C@H](N2CC(CCO)(NC(=O)C(F)F)C2)C1=O 1755330853 ZXWSEOIBBYXZKI-JTQLQIEISA-N 317.336 -0.409 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2cn(CC)nn2)[C@H]1C 1755664408 NBHWERZNHXMPNG-NWDGAFQWSA-N 318.381 -0.760 30 20 DBED C=C(C)CCNC[C@@H](O)CN(C)C(=O)[C@@H]1CCS(=O)(=O)N1 1755795855 LAEDMIOUDLSSBX-NEPJUHHUSA-N 319.427 -0.947 30 20 DBED COCC#CCN(C)C[C@H](O)CN(C)C(=O)[C@@H](C)n1cncn1 1755799246 KEYUNPWAZUAKQX-KGLIPLIRSA-N 323.397 -0.760 30 20 DBED Cc1ccnc(C(=O)N[C@@H](CO)CNC(=O)C#CC(C)C)n1 1756518290 WRXWWTWBKUIZHQ-GFCCVEGCSA-N 304.350 -0.349 30 20 DBED CC(C)(C)C#CC(=O)N[C@H](CO)CNC(=O)[C@H]1CCC(=O)NC1 1756531998 GVXJDWBFOBKDID-RYUDHWBXSA-N 323.393 -0.845 30 20 DBED CC(C)C#CC(=O)N(C)C[C@@H](O)CN(C)C(=O)c1nc[nH]n1 1756686317 UESNNFPUQGXQQS-LLVKDONJSA-N 307.354 -0.645 30 20 DBED Cc1ccn(CC(=O)N[C@H]2CCS(=O)(=O)C2)c(=O)c1C#N 1771650910 BXQJSJBLNIORBZ-JTQLQIEISA-N 309.347 -0.668 30 20 DBED COC(=O)[C@@H]1CCCN1S(=O)(=O)N[C@H](CCC#N)C(=O)O 1777110795 OCEIMMWFUSVJCC-BDAKNGLRSA-N 319.339 -0.785 30 20 DBED C#CC(=O)N1CC2(CCCN2C(=O)CN2CCN(C)CC2)C1 1843915613 PCPHKHBBCZESHZ-UHFFFAOYSA-N 304.394 -0.930 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N2CCCC2)c1=O 60891859 MCXDIEZORGNMDE-UHFFFAOYSA-N 320.349 -0.834 30 20 DBED CC/N=C(/NC[C@@H]1COCCO1)N[C@@H]1CCN(C(=O)CC)C1 261971654 MXFVSDMOBSHRAH-CHWSQXEVSA-N 312.414 -0.032 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@](C)(CN)C(C)C)C1=O 262605801 BPXPBZJKSOZBBE-AWEZNQCLSA-N 310.354 -0.547 30 20 DBED C=CCCO[C@H](C)C(=O)NCCNS(=O)(=O)NC(C)C 277726951 ZQRSSWSKHXINNZ-LLVKDONJSA-N 307.416 -0.084 30 20 DBED CNC(=O)[C@H]1CN(c2cc(N)c([N+](=O)[O-])c(C#N)c2)CCO1 283942554 YCVPGFDVFSZAKM-LLVKDONJSA-N 305.294 0.000 30 20 DBED C=CCSCCNC(=O)C(=O)N(C[C@@H](C)O)[C@H](C)CO 286587767 VSZNTJCCRLFELP-GHMZBOCLSA-N 304.412 -0.388 30 20 DBED N#Cc1ccc(S(=O)(=O)N2CCSC[C@@H]2C(N)=O)o1 287621718 AQRCYJYQQDLKMZ-MRVPVSSYSA-N 301.349 -0.257 30 20 DBED N=C(O)[C@@H]1CC[C@H](C/N=C(/O)N2CCN3CCOC[C@@H]3C2)O1 329794454 VZCGIFLQRCOSQU-TUAOUCFPSA-N 312.370 0.000 30 20 DBED CC(C)(C)/N=C(/O)NC(=O)CN1CCO[C@H](Cn2cncn2)C1 330669919 YTIFUTARPXAWCT-NSHDSACASA-N 324.385 -0.192 30 20 DBED CCO[C@@H]1C[C@H](NS(=O)(=O)N2CCO[C@H](C#N)C2)[C@@H]1OC 336932404 CJPBCABNFHSGHV-KXNHARMFSA-N 319.383 -0.762 30 20 DBED CCN(C[C@@H](C)C#N)C(=O)CCn1cc(S(N)(=O)=O)cn1 338365398 CJHCXJOZVNTCFH-JTQLQIEISA-N 313.383 -0.071 30 20 DBED N#Cc1ncn(CCNC(=O)c2sccc2-n2cnnn2)n1 342872321 PYZHKQDMSKCIGB-UHFFFAOYSA-N 315.322 -0.383 30 20 DBED C[C@H](C(=O)NC[C@@H](O)CN1CCCCC1)n1cnc(C#N)n1 343560617 VPPBUCDDVQSZEX-VXGBXAGGSA-N 306.370 -0.326 30 20 DBED N#Cc1cccc(NCC(=O)NCC(=O)N2CCOCC2)c1 346749196 VGXTVEOLXPEUNS-UHFFFAOYSA-N 302.334 -0.055 30 20 DBED CNS(=O)(=O)C[C@H]1CCCN1CC(=O)NC1(C#N)CCC1 346984394 CKXIFICWMSYCDQ-LLVKDONJSA-N 314.411 -0.438 30 20 DBED N#C[C@@]1(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)CCOC1 358442684 NHVKTNAAUYWJMI-ZDUSSCGKSA-N 306.322 -0.350 30 20 DBED COCCN1C[C@H](C(=O)NCC2CCN(CC#N)CC2)CC1=O 362532677 YDYAJOHWMALHQS-CQSZACIVSA-N 322.409 -0.167 30 20 DBED CCC(=O)N1CC[C@H](NS(=O)(=O)N(C)C[C@H](C)C#N)C1 407952583 IMRWDMQZRLIHKK-MNOVXSKESA-N 302.400 -0.077 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(C)n(C)n2)C1=O 439597876 RMZOHLMULCHCBT-UHFFFAOYSA-N 305.294 -0.356 30 20 DBED CN(C(=O)C(=O)Nc1ccc(F)c(C#N)c1)[C@@H]1CCNC1=O 442266568 YMNCJXCMYYQODW-LLVKDONJSA-N 304.281 -0.017 30 20 DBED CN1CCN(C)[C@@H](CNC(=O)C(=O)Nc2cccc(C#N)c2)C1 478734103 ALVFYAQGMVGTTG-AWEZNQCLSA-N 315.377 -0.141 30 20 DBED C#CCNC(=O)C1CCN([C@@H](C)C(=O)NC(=O)NCC=C)CC1 491783727 JZEDYIWYXWRNGR-LBPRGKRZSA-N 320.393 -0.152 30 20 DBED CN(C)CCN1C[C@H](C(=O)NC2(C#N)CCN(C)CC2)CC1=O 530577025 PUAJWLUPEDUSCD-CYBMUJFWSA-N 321.425 -0.499 30 20 DBED COc1cc(C#N)ccc1NC(=O)C(=O)N[C@@H]1CC(=O)N(C)C1 545297041 XHCXROHVHVMFQQ-SNVBAGLBSA-N 316.317 -0.148 30 20 DBED C[C@@H](CC(=O)O)N(CCO)S(=O)(=O)c1ccc(C#N)o1 554533384 DOIKSSANNJPQAZ-QMMMGPOBSA-N 302.308 -0.003 30 20 DBED C=CCC[C@H](NC(=O)Cn1cnc(C(N)=O)n1)C(=O)OCC 593738999 SLFOHNIJXKLWLJ-VIFPVBQESA-N 309.326 -0.609 30 20 DBED N#CCN1CCC(NC(=O)C(=O)N2C[C@H]3CCC[C@]3(N)C2)CC1 598684020 JMBCJNKEAHULNF-WBMJQRKESA-N 319.409 -0.570 30 20 DBED CC#CC[C@@H](CO)NS(=O)(=O)c1cnn(CCOC)c1 645883834 LPLDVLVDPVFXSL-NSHDSACASA-N 301.368 -0.418 30 20 DBED CCn1cc(C#N)c(=O)n(C[C@H]2CC(C(=O)OC)=NO2)c1=O 760188562 LHLDNJHNHZMDLO-SECBINFHSA-N 306.278 -0.781 30 20 DBED C#Cc1cncc(C(=O)N2CCN(C(=O)C(=O)OCC)CC2)c1 806873992 LCVUKCWAIAJKFL-UHFFFAOYSA-N 315.329 -0.090 30 20 DBED C#Cc1cccc(CNC(=O)C(=O)N2CC(=O)N(C)C[C@H]2C)c1 817846909 ZGQOSKZTPHLQPG-GFCCVEGCSA-N 313.357 -0.027 30 20 DBED CNS(=O)(=O)C[C@H]1CCCN1C(=O)[C@@](C)(C#N)CC(=O)O 820641295 PHLBBHUWUOMIGC-BXKDBHETSA-N 317.367 -0.469 30 20 DBED N#C[C@H]1CNC[C@H]1NC(=O)CCc1ccc(S(N)(=O)=O)cc1 834511119 ILBQAPLLUNEQSF-WCQYABFASA-N 322.390 -0.506 30 20 DBED NC(=O)Cn1cc(C=NNC(=S)NC2CCCCC2)nn1 841607667 WQTLVNZLZBLPMR-UHFFFAOYSA-N 309.399 -0.106 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCNC[C@H]1CCC)[C@H]1CCCO1 842164864 XXSDCACLISJAFI-HZSPNIEDSA-N 307.394 -0.116 30 20 DBED C#C[C@@H](CC)NC(=O)CS(=O)(=O)CC(=O)N[C@@H](C#C)CC 847896520 CGIRZFLTVSMKET-RYUDHWBXSA-N 312.391 -0.543 30 20 DBED C#CCN(C(=O)NC[C@@H](C)C(=O)O)[C@@H]1CCS(=O)(=O)C1 848584648 DOUZXTYGFXZOKW-NXEZZACHSA-N 302.352 -0.461 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N1CCN(CC)C(=O)C1 850710247 WJASHGWFBFYGML-UHFFFAOYSA-N 309.366 -0.825 30 20 DBED C#CCN1CCN(C(=O)CN2C[C@H]3CC[C@@H](O)C[C@H]3C2)CC1 852345498 QBTMNDAHXMORLF-OWCLPIDISA-N 305.422 -0.143 30 20 DBED C#CCN1CCN(C(=O)c2cn(C[C@H]3CCOC3)nn2)CC1 859357154 JMAKTCLELUGHIY-CYBMUJFWSA-N 303.366 -0.294 30 20 DBED C#CCOCCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CCOCC#C 870861192 IEEBLJXBFPZNEH-GJZGRUSLSA-N 318.373 -0.122 30 20 DBED C#CC[C@H](CO)NC(=O)Nc1ccn(CCN2CCOCC2)n1 878765200 KAEHHHNMFXFJTD-CYBMUJFWSA-N 321.381 -0.279 30 20 DBED C[C@@H](C#N)C(=O)N1CCCN(C(=O)[C@H]2CCC(=O)NC2)CC1 941564847 KQAOSPKJHTWPLS-RYUDHWBXSA-N 306.366 -0.267 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)C2CCN(C)CC2)C1 944656102 YSXOAXVREXGXCB-OCCSQVGLSA-N 322.409 -0.169 30 20 DBED C=CCCN1CC[C@@H](NC(=O)CN2C(=O)CNC2=O)[C@H](C)C1 944790957 SMKTUOBHZQXBHV-VXGBXAGGSA-N 308.382 -0.059 30 20 DBED C#CCN1C[C@H]2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)CC[C@H]2C1 946776200 GRKRYVMZJXXVMR-LJISPDSOSA-N 319.405 -0.177 30 20 DBED CN(C(=O)Cn1ncn(C)c1=O)[C@@H]1CCCN(CC#N)CC1 948566405 OFWBVYRNXJKWTP-GFCCVEGCSA-N 306.370 -0.582 30 20 DBED Cn1oc(C(=O)N2CCC3(CC2)CN(CC#N)CCO3)cc1=O 949346370 DRGBFPPHAWUKMU-UHFFFAOYSA-N 320.349 -0.191 30 20 DBED CCn1nc(C(=O)NC[C@H]2CCN2C(=O)[C@H](C)C#N)ccc1=O 951565291 KZFGRASWDMHJQK-GHMZBOCLSA-N 317.349 -0.246 30 20 DBED CN(C(=O)[C@H]1CCS(=O)(=O)C1)C1CN(C(=O)C#CC2CC2)C1 954756833 ZWMSENGLACQHKL-LBPRGKRZSA-N 324.402 -0.496 30 20 DBED N#CCN1C[C@H](CNC(=O)c2cnn3cccnc23)[C@@H](O)C1 958308938 DEULHPPIEMRJOK-JQWIXIFHSA-N 300.322 -0.725 30 20 DBED C#CCN1C[C@H](CNC(=O)c2ccnc3c2ncn3C)[C@@H](O)C1 958400654 XYVZLMRBABCFKH-AAEUAGOBSA-N 313.361 -0.376 30 20 DBED N#Cc1c[nH]c(C(=O)NC2[C@@H]3CN(Cc4nc(O)n[nH]4)C[C@@H]23)c1 958501337 ZPMKOLYANICRPL-RKDXNWHRSA-N 313.321 -0.430 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2[C@@H]3CN(CC(=O)NC4CC4)C[C@@H]32)[nH]1 958602191 VQBAXRSWPNTBOI-JYAVWHMHSA-N 313.361 -0.175 30 20 DBED Cn1ncc(C(=O)NC[C@@H]2CN(CC#N)C[C@@H]2O)c1C1CC1 958750042 ZPXHYKBREHFJBS-YPMHNXCESA-N 303.366 -0.156 30 20 DBED Cc1c[nH]c(CC(N)=O)c1C(=O)NC1[C@@H]2CN(CC#N)C[C@@H]12 961841442 SUPSFFIBRPCBNR-NXEZZACHSA-N 301.350 -0.466 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2ncc[nH]2)C1 962800390 IYKDWPGBMAHCHC-WYUUTHIRSA-N 320.349 -0.698 30 20 DBED Cc1nccn1CC(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 963555345 HJDLBLUCTRVDIK-KGLIPLIRSA-N 316.361 -0.707 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)c1cnc(O)n1C 964288679 HSLHXJZSFLSXIT-UWVGGRQHSA-N 321.337 -0.757 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC12CCN(C(=O)C(N)=O)CC2 965461253 JFPAJQMOTJKRRI-WOPDTQHZSA-N 321.377 -0.440 30 20 DBED C=C(Cl)CN[C@@H]1CCN(C(=O)CN2C(=O)CN(C)C2=O)C1 970665226 PLIIOPKTVCPCEI-SNVBAGLBSA-N 314.773 -0.177 30 20 DBED O=C(N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O)c1ccnnc1 970904098 LDZFBRYMYOFOAA-OLZOCXBDSA-N 300.318 -0.809 30 20 DBED Cn1c(O)ncc(C(=O)N[C@H]2CCC[C@H](NCC#N)C2)c1=O 981267821 IFIDJEYCEXPSEB-UWVGGRQHSA-N 305.338 -0.360 30 20 DBED CC#CCN1CCCC2(C1)CN(C(=O)Cn1c(O)nnc1O)C2 982130830 HGXVGYMOENJDTL-UHFFFAOYSA-N 319.365 -0.363 30 20 DBED CN(CC#N)C1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)CC1 985701617 DGXWBKHSSMXASJ-UHFFFAOYSA-N 319.365 -0.627 30 20 DBED C=C(Cl)CN[C@H]1CCN(C(=O)CN2CC(=O)NC2=O)[C@H]1C 987194677 GHTMOZLYOIKNOP-UWVGGRQHSA-N 314.773 -0.130 30 20 DBED C=CCn1cc(C(=O)N2CC(NC(=O)c3cn[nH]c3)C2)nn1 990320421 IVPBKNUOVLHPSF-UHFFFAOYSA-N 301.310 -0.558 30 20 DBED N#Cc1cc(C(=O)N2CC[C@H](NC(=O)C3CC3)[C@H](O)C2)c[nH]1 991190268 LOCFTVQYGGCQHN-QWHCGFSZSA-N 302.334 -0.012 30 20 DBED CC#CCN1CC[C@]2(NC(=O)Cn3c(O)nnc3O)CCC[C@H]12 992442305 BQSXXKSHISZXOX-XHDPSFHLSA-N 319.365 -0.174 30 20 DBED C[C@H](C#N)C(=O)N1CC(N2C[C@@H](NC(=O)CC3CC3)CC2=O)C1 995466753 XYLNCTLRQDPNEI-PWSUYJOCSA-N 318.377 -0.126 30 20 DBED CC#CCN1CCC(N(C)C(=O)C[C@@H]2CC(=O)NC2=O)CC1 1006481841 GXKUXMJSAXOTFV-LBPRGKRZSA-N 305.378 -0.015 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H]2CCCN([C@@H]3CCNC3=O)C2)c1 1007029676 PAAJAWUHICNBGB-WCQYABFASA-N 301.350 -0.031 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CCOC2)CC1 1010608661 VDHCETQRNIPLKB-CABCVRRESA-N 319.405 -0.209 30 20 DBED CN1C(=O)CC[C@@H]1C(=O)NC1[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]12 1013625225 NMOKZIXGNZRHEG-JHJVBQTASA-N 315.373 -0.406 30 20 DBED C#CCCN1CC[C@H](NC(=O)[C@H]2CCc3nnc(O)n3C2)C1 1014995592 KQEKEUPPPAGWBB-RYUDHWBXSA-N 303.366 -0.240 30 20 DBED N#CCN1CC[C@H](NC(=O)Cn2nc3n(c2=O)CCCC3)C1 1015953950 JZUXDFZBQHFZLY-NSHDSACASA-N 304.354 -0.905 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2n[nH]c(C)n2)C1 1023649105 QGZUPYYQOCUTTF-GHMZBOCLSA-N 321.381 -0.444 30 20 DBED C#CCNC1CCC(NC(=O)CN2C(=O)C(=O)N(C)C2=O)CC1 1026571947 VDUTZVVWHUZGMV-UHFFFAOYSA-N 320.349 -0.943 30 20 DBED C#Cc1cccc(NC(=O)CN2CC(NC(=O)c3nc[nH]n3)C2)c1 1031122110 XMDWTNNYUHCRRK-UHFFFAOYSA-N 324.344 -0.161 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCC1CN(Cc2nc(=O)n(C)[nH]2)C1 1031987355 JVICWBGXBHMSFY-NEPJUHHUSA-N 321.381 -0.753 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2CN([C@H](C)C(N)=O)CCO2)cc1 1035471248 PYHNBQUBQRBBEU-IUODEOHRSA-N 315.373 -0.028 30 20 DBED C#CCCN1CCO[C@@H](CNC(=O)c2cccn(C)c2=O)C1 1035587116 WEHUSIHKUOKERT-ZDUSSCGKSA-N 303.362 -0.161 30 20 DBED CN1C(=O)CN(CC(=O)N2CC[C@@H]3[C@@H](CCN3CC#N)C2)C1=O 1036868632 PWTQIOZQIXLHKW-NWDGAFQWSA-N 319.365 -0.673 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2CCN2[C@H](C)C(=O)NC)nn1 1038792783 XTAIQMVZFXITGG-GHMZBOCLSA-N 306.370 -0.597 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)c2ccn(C)n2)C1 1039760803 UESOTRDRIHATGX-HZMBPMFUSA-N 305.338 -0.727 30 20 DBED C#CCC1(C(=O)NC[C@@]2(O)CCN(C(C)=O)C2)CCOCC1 1040060970 BJKNFVYHMHHIOB-INIZCTEOSA-N 308.378 -0.094 30 20 DBED C#CCN1CC[C@@]2(CCN(C(=O)CN3CCOCC3=O)C2)C1 1041361582 ANYHXXPFPWWJCB-MRXNPFEDSA-N 305.378 -0.597 30 20 DBED C#CCCN1CC[C@H]2CCN(C(=O)CN3CCOCC3=O)C[C@H]21 1042098223 NYSHIDPFSMRNFK-LSDHHAIUSA-N 319.405 -0.209 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)c2cc(C)nn2C)C1 1042802746 NNXFVMNBIIXUAN-UHFFFAOYSA-N 318.377 -0.165 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(O)CN(C(=O)c2cc[nH]c2)C1 1042811504 JOIODQWZFHNGHH-CQSZACIVSA-N 307.350 -0.355 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)Cc2cncnc2)C1 1042817679 CRHONTMHGKSQEM-UHFFFAOYSA-N 316.361 -0.632 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(O)(CNC(=O)[C@@H]2CC2(F)F)C1 1042911817 WYMXAHMELTXJSC-JOYOIKCWSA-N 318.320 -0.342 30 20 DBED Cc1ncncc1C(=O)N1CC(O)(CNC(=O)C#CC(C)C)C1 1042936925 VCERUWSGHRMZRI-UHFFFAOYSA-N 316.361 -0.252 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)[C@@H]2CC23CC3)C1 1043042392 OOBLSDWXJJCXRL-RYUDHWBXSA-N 306.362 -0.486 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H]2CN(c3ccnc(C#N)n3)C[C@@H]21 1043681964 USFQSTLKXZNYRW-GRYCIOLGSA-N 312.333 -0.076 30 20 DBED Cc1nc(N2C[C@H]3[C@@H](C2)OCCN3C(=O)C(N)=O)ccc1C#N 1043779114 LICIMGIZAWEWCQ-NWDGAFQWSA-N 315.333 -0.837 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)[C@@H](C(C)C)N(C)C)C1 1044288010 ZGRYKBQZGQRBDH-OAHLLOKOSA-N 323.437 -0.079 30 20 DBED C=C(C)C(C)(C)C(=O)NCC1(O)CN(C(=O)c2cnn[nH]2)C1 1044417798 DSIVJHNYNRTJQS-UHFFFAOYSA-N 307.354 -0.290 30 20 DBED C#CCN[C@H]1CCN(C(=O)c2cnc(O)n(C)c2=O)[C@H](C)C1 1044709183 VHISHKKYMSTCMG-MNOVXSKESA-N 304.350 -0.298 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)CCn2cccn2)C1 1045541598 YVMZVIDOWGOUTE-LLVKDONJSA-N 305.338 -0.878 30 20 DBED CC#CCN1CCC(C)(NC(=O)[C@H]2CCS(=O)(=O)N2)CC1 1045642552 HWLOAIORCLAXRR-GFCCVEGCSA-N 313.423 -0.328 30 20 DBED N#Cc1cncc(N[C@H]2C[C@H](CNC(=O)[C@H]3CCC(=O)N3)C2)n1 1046753453 WZCOQEUILASZFG-CKYFFXLPSA-N 314.349 -0.066 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@@H](N(C)C(=O)C2CN(C(C)=O)C2)C1 1047362534 ZLIWJORCQXSKRZ-STQMWFEESA-N 315.801 -0.279 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccoc2CC(N)=O)C1 1047504721 SPTDIMJAQDFYQK-RYUDHWBXSA-N 307.350 -0.390 30 20 DBED C=C1CC(C)(C(=O)N(C)[C@H]2CN(Cc3nnn(C)n3)C[C@@H]2O)C1 1047516523 GIEVRSRSTIQUBO-RYUDHWBXSA-N 320.397 -0.430 30 20 DBED CO[C@H](C(=O)N(C)[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O)C1CC1 1048766336 WWEJJWGTZDGLTL-DZKIICNBSA-N 320.389 -0.145 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)C2=CCOCC2)C[C@@H]1O 1049394897 OOXIAMDCODWFBV-WXHSDQCUSA-N 307.350 -0.477 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CCCCN2C)C[C@@H]1O 1049407156 CGTZBUAJWONWJU-RFGFWPKPSA-N 322.409 -0.340 30 20 DBED C=CCOCC(=O)N[C@H](C)[C@H]1CCN(C(=O)c2cnn[nH]2)C1 1051130618 SOOUCCXFRZCHKB-MNOVXSKESA-N 307.354 -0.026 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)[C@@H]1CCCCN1C(N)=O 1051202144 ZTWFVGJSVZZBOO-STQMWFEESA-N 308.382 -0.630 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)c1cnn(CCOC)c1 1051228549 JYOYOJFOZZYFSW-AWEZNQCLSA-N 306.366 -0.407 30 20 DBED N#CCN1CCN([C@H]2CCN(C(=O)C[C@@H]3CCNC3=O)C2)CC1 1052036533 OKQPERWFDPJSAH-KBPBESRZSA-N 319.409 -0.745 30 20 DBED C[C@H](C(=O)N1CCOC2(CN(CC#N)C2)C1)[C@@H]1CCC(=O)N1 1053442804 PSSHKYXSKNTFSA-RYUDHWBXSA-N 306.366 -0.662 30 20 DBED C#CCN1CC2(CC[C@H](CNC(=O)[C@@H]3CCNC(=O)CC3)O2)C1 1053638880 YUQVIHLVDXUAAD-UONOGXRCSA-N 319.405 -0.115 30 20 DBED C[C@@]1(C(=O)N[C@@H]2COC3(C2)CN(CC#N)C3)CCNC(=O)C1 1053843545 PMTHGPOHFAOCGV-SMDDNHRTSA-N 306.366 -0.614 30 20 DBED CC(=O)N(C)CC(=O)N[C@@]1(CO)CCCN(C(=O)[C@H](C)C#N)C1 1055784234 PVRRGENCIYSYDZ-ABAIWWIYSA-N 324.381 -0.906 30 20 DBED N#Cc1ccc(N2CCN(C(=O)[C@@H]3CC[C@H]3C(N)=O)CC2)nn1 1055974104 WORBELRECMTFKG-VXGBXAGGSA-N 314.349 -0.492 30 20 DBED CN1C[C@H](C(=O)N2CCN(c3nccnc3C#N)CC2)CC1=O 1056056837 FIAWTSRVZJDGNS-LLVKDONJSA-N 314.349 -0.525 30 20 DBED C[C@@H](C#N)C(=O)N[C@@]1(CO)CCCN(C(=O)c2ncc[nH]2)C1 1056092698 CRRQHNPIBGBEHL-HZMBPMFUSA-N 305.338 -0.347 30 20 DBED N#Cc1cnc(N2C[C@H]3C(NC(=O)[C@H]4C[C@H]4C(N)=O)[C@@H]3C2)cn1 1056407793 YUIQKLXJLHXQTB-LMLFDSFASA-N 312.333 -0.980 30 20 DBED CN1CCOC[C@@H]1C(=O)N1CC[C@@H](Nc2ccc(C#N)nn2)C1 1056609193 OQCOCZDDCRFQJD-CHWSQXEVSA-N 316.365 -0.308 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)c1coc(C(N)=O)c1 1057174144 SCJRCJXALBPTRF-UHFFFAOYSA-N 323.349 -0.105 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)CO[C@H](C)CC 1057370129 GQHRWEWUMNIPRA-CYBMUJFWSA-N 316.398 -0.059 30 20 DBED C=C(C)CCC(=O)NCCN(CCO)C(=O)c1cnn(C)n1 1058094829 YMVITOQZBKTWDA-UHFFFAOYSA-N 309.370 -0.278 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)C[C@@H]1CCN(C)C1 1058654690 FKIPUPYNAGWUAC-STQMWFEESA-N 310.398 -0.575 30 20 DBED Cc1nonc1CC(=O)N(CCO)CCNC(=O)C#CC1CC1 1058688136 HNVYZEGZQJDRSC-UHFFFAOYSA-N 320.349 -0.729 30 20 DBED CN1CCOC[C@H]1C(=O)N1CC[C@H](N=c2cc[nH]cc2C#N)C1 1058854838 LVNKDPZYHKACDN-ZFWWWQNUSA-N 315.377 -0.281 30 20 DBED N#Cc1ccc(N[C@H]2C[C@H](NC(=O)[C@@H]3CCC(=O)NC3)C2)nn1 1059457477 HQUMILGCDHDGNF-YUSALJHKSA-N 314.349 -0.066 30 20 DBED N#Cc1cnc(N[C@@H]2CC[C@@H]3CN(C(=O)C(N)=O)C[C@@H]32)cn1 1060552371 DTWYGGOLGVTASN-DVVUODLYSA-N 300.322 -0.518 30 20 DBED CNC(=O)CCCC(=O)NC[C@H]1COCCN1C(=O)[C@@H](C)C#N 1061521805 IGXHBEZSHAPJFV-RYUDHWBXSA-N 324.381 -0.594 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)CN(C)C1CCC1 1061852494 IXFKOKWMJOCNFO-OCCSQVGLSA-N 322.409 -0.026 30 20 DBED C#CCNC(=O)CC(=O)NC1(CNC(=O)[C@@H]2CCOC2)CCC1 1062667835 JHCPULLZONIAOY-GFCCVEGCSA-N 321.377 -0.683 30 20 DBED C[C@@H]1CN(C(=O)c2nc[nH]n2)CC[C@@H]1N=c1cc[nH]c(C#N)n1 1063758315 PDPKJUGQCVGPQD-ZJUUUORDSA-N 312.337 -0.149 30 20 DBED C#CCCCC(=O)NC1(CNC(=O)[C@H]2CN(C)C(=O)N2)CCC1 1063915315 OTZANLYZJSYTMG-GFCCVEGCSA-N 320.393 -0.031 30 20 DBED C[C@@H]1CCCN(C(=O)C(N)=O)[C@@H]1CN=c1cc[nH]c(C#N)n1 1063956380 IVCYJORBGGRDFN-NXEZZACHSA-N 302.338 -0.706 30 20 DBED C=CCCC(=O)N1CCO[C@@H](CNC(=O)CCNC(N)=O)C1 1064961345 IDQSJVPXGFDGNL-NSHDSACASA-N 312.370 -0.645 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2[nH]nnc2C)CCO1 1065414641 BASFWBPBJJZZGB-NSHDSACASA-N 323.353 -0.727 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H](NC(=O)C2(C(N)=O)CC2)CC1 1066461394 YWVJQIMGWRKMES-QWRGUYRKSA-N 306.366 -0.091 30 20 DBED N#Cc1cncc(N2CCOC[C@H]2CNC(=O)c2nc[nH]n2)n1 1066495528 RGZXIGUKTXWXQY-SNVBAGLBSA-N 314.309 -0.898 30 20 DBED C[C@H]1CN(C(=O)Cc2nc[nH]n2)C[C@H]1Nc1cncc(C#N)n1 1067145235 VFXCERIGVIXMNL-GXSJLCMTSA-N 312.337 -0.032 30 20 DBED C#CCCCCC(=O)N1CC2(CC[C@H](CNC(=O)C(N)=O)O2)C1 1068617003 PWUVOGHVOZAKQG-GFCCVEGCSA-N 321.377 -0.459 30 20 DBED CCOCC(=O)N1CC2(C[C@@H](NC(=O)C#CC3CC3)CO2)C1 1068860445 LAKPVWQNAOBBQI-CYBMUJFWSA-N 306.362 -0.078 30 20 DBED N#CCSCC(=O)N1CC[C@@]2(CCCN(C(=O)C(N)=O)C2)C1 1069775662 CRIZHDJTXBTMER-AWEZNQCLSA-N 324.406 -0.430 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)CNC(C)=O)C1 1070371600 YLRRZLGGZMOZFQ-MCIONIFRSA-N 323.393 -0.179 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)CCc2nc[nH]n2)CC1 1070951764 XWNSJWHXNFDVFJ-UHFFFAOYSA-N 320.397 -0.426 30 20 DBED N#CCN1CCNC(=O)CCN(C(=O)Cc2ccco2)CC1 1071010741 VRHSCRHWVWJBTC-UHFFFAOYSA-N 304.350 -0.004 30 20 DBED C#CCCN1CCNC(=O)CCN(C(=O)c2nonc2C)CC1 1071025776 WUFPQFLFYIZSHD-UHFFFAOYSA-N 319.365 -0.335 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCN(C(=O)C(F)F)C[C@H]1C 1073889992 DGHPIGDWKYMUBQ-NXEZZACHSA-N 315.320 -0.256 30 20 DBED CC#CCN1CCCO[C@H](CNC(=O)c2cn(C)c(=O)n2C)C1 1073904462 FSSAYDNAKMLUGA-CYBMUJFWSA-N 320.393 -0.432 30 20 DBED C=CCN1CCO[C@@H]2CCN(C(=O)Cn3ncn(C)c3=O)C[C@H]21 1074279525 NJXFLKVIYIELNZ-CHWSQXEVSA-N 321.381 -0.931 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)c3cc(C(N)=O)co3)C[C@@H]21 1074338445 LOZTUGTYWQYHRY-QWHCGFSZSA-N 317.345 -0.073 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)c1cccn1C 1075633037 ARXLKSASPILCNV-LBPRGKRZSA-N 318.377 -0.211 30 20 DBED COC(=O)NCC(=O)NCC[C@H](C)NC(=O)c1ccc(C#N)[nH]1 1075762725 RLSQHUGTDSMENP-VIFPVBQESA-N 321.337 -0.133 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)[C@H]1CCCO1 1076217763 HJCBVAFYCXAPBM-NWDGAFQWSA-N 309.366 -0.684 30 20 DBED C=C[C@](C)(O)CC(=O)NCC[C@H](C)NC(=O)CCCC(N)=O 1076308522 HQZDQWVHKOUDSY-NHYWBVRUSA-N 313.398 -0.020 30 20 DBED C=CCCO[C@@H](C)C(=O)N[C@@H](C)CCNC(=O)Cn1ncnn1 1076649496 MQJPCCIYPHNVOH-RYUDHWBXSA-N 324.385 -0.335 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)c2ccn(CCN(C)C)n2)C1 1077014110 CZWGYNHLZIWRTB-HUUCEWRRSA-N 319.409 -0.757 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)Cc2nnn(C(C)(C)C)n2)C1 1077049572 FVOGBQJMNFLOEI-VXGBXAGGSA-N 322.413 -0.292 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)c2ccnc3c2CC(=O)N3)C1 1077301880 RGZATMLBVUBRRW-VXGBXAGGSA-N 302.334 -0.463 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CN3CC4CC3(CO2)C4)C1 1077418334 NZWXTZNYPKMZGR-QJNCVLDKSA-N 321.421 -0.413 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)Cn2c(C)cc(C)nc2=O)C1 1077904243 RCAKDQDOFOCUTN-ZIAGYGMSSA-N 320.393 -0.402 30 20 DBED C#CCNC(=O)CC(=O)N(CC)C1CN(C(=O)c2cc[nH]n2)C1 1079644327 DHKUHPQWIRRZKI-UHFFFAOYSA-N 317.349 -0.778 30 20 DBED CCN(C(=O)C(=O)NCC1CC1)C1CN(C(=O)C#CC2CC2)C1 1080371434 JHFHGRSERRLGIZ-UHFFFAOYSA-N 317.389 -0.015 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)Cc2cc[nH]n2)C[C@@H]1O 1081332916 MOYWOFNLKMWYPW-YPMHNXCESA-N 306.366 -0.146 30 20 DBED C=C1CC(C)(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)CC(=O)NC)C2)C1 1081433024 GBYYJRGSWHZGQQ-NWDGAFQWSA-N 323.393 -0.586 30 20 DBED C=C(Cl)CN1C[C@@H](NC(=O)[C@@H]2CN(C)CCO2)[C@H](OC)C1 1081481852 XVFTUQYAOOZFQL-UPJWGTAASA-N 317.817 -0.115 30 20 DBED C=CCC1(C(=O)NC[C@H]2CN(C(=O)C(N)=O)C[C@@H]2O)CCCC1 1081593418 YOEMNMXKGVXGDG-RYUDHWBXSA-N 323.393 -0.456 30 20 DBED C=CCCCC(=O)NC[C@H]1CN(C(=O)Cn2cncn2)C[C@H]1O 1081705911 WFPMERHGXGDKKF-QWHCGFSZSA-N 321.381 -0.430 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2ccnnc2)C1 1081798183 WJOPCAKBLIZRRI-UONOGXRCSA-N 316.361 -0.315 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2cccc3c2NC(=O)CO3)C1 1083530602 WEAPNJSQOFFWFE-MNOVXSKESA-N 316.317 -0.684 30 20 DBED CCCCN1CCOC[C@@H]1C(=O)N[C@@H]1CN(CC#N)C[C@@H]1O 1083670975 VKESRFVNFXCYFL-MCIONIFRSA-N 310.398 -0.828 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)c2cnccc2N(C)C)C1 1083961822 KVTZMBOKRBHRLR-HIFRSBDPSA-N 302.378 -0.054 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)Cn2c(C)csc2=O)C1 1084048630 CICRMGITFFDJBK-NEPJUHHUSA-N 309.391 -0.597 30 20 DBED Cc1nc(C(=O)N(C)C[C@H]2CCN2CC#N)nn1-c1nc[nH]n1 1085753097 XYJSHPLPZRKBTH-SNVBAGLBSA-N 315.341 -0.636 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NCC(N)=O)C1 1086720848 RHIIUYLOBMDVBR-MJBXVCDLSA-N 306.410 -0.556 30 20 DBED C[C@@H](C[C@H](C)Nc1cnc(C#N)cn1)NC(=O)c1nnn(C)n1 1089449550 IMMQMDFBNZFRPG-IUCAKERBSA-N 315.341 -0.119 30 20 DBED CN(C)c1cnc(C(=O)N[C@@H]2CCN(CC#N)C[C@@H]2O)cn1 1090265099 JTWDZMIVQHRONG-PWSUYJOCSA-N 304.354 -0.769 30 20 DBED C#CCN1CC[C@@H](NC(=O)Cc2ccccc2C(N)=O)[C@H](O)C1 1090482010 INRJERYOWHPYBS-HUUCEWRRSA-N 315.373 -0.487 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2cncc(OC)n2)[C@H](O)C1 1090625624 VSMUIBUFARQZGL-WCQYABFASA-N 304.350 -0.327 30 20 DBED CC(=O)N[C@H](C)C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1C 1090649170 IKOUZQSKDVDYMC-GIPNMCIBSA-N 316.365 -0.186 30 20 DBED C#CCN1CC[C@H](NC(=O)CN2CCCCCC2=O)[C@@H](O)C1 1090788822 ARZHUALPTODUIM-KBPBESRZSA-N 307.394 -0.426 30 20 DBED C#CCCN1CC[C@H](NC(=O)CN2CCCCCC2=O)[C@@H](O)C1 1090791329 SDVBKNGBZPNELG-GJZGRUSLSA-N 321.421 -0.036 30 20 DBED C=CCCN1CC[C@H](NC(=O)c2nccnc2C(N)=O)[C@@H](O)C1 1090793328 INCLYDWLLGDHBR-QWRGUYRKSA-N 319.365 -0.683 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)c2cncc(C(N)=O)c2)[C@@H](O)C1 1090820300 PTADKSGWGSBVOU-KBPBESRZSA-N 318.377 -0.078 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)[C@@H]3[C@H]4COC[C@H]43)c3nccn32)C1 1092387389 WDOKCPFKLQEVBT-RFQIPJPRSA-N 312.373 -0.019 30 20 DBED C[C@@H](CC(N)=O)C(=O)N[C@H]1[C@@H]2CN(c3ccnc(C#N)n3)C[C@@H]21 1093332264 ZMLLIXKYYUEJIY-LFNDISMMSA-N 314.349 -0.589 30 20 DBED N#CCNC1CCC2(CC1)CN(C(=O)[C@@H]1CCNC1=O)CCO2 1093403267 LXOPFYIDOGYGIB-MFOWVQHXSA-N 320.393 -0.224 30 20 DBED Cc1cc(C#N)nc(NCCNC(=O)CCc2cn(C)nn2)n1 1093713860 XMFGQFWODSGHAC-UHFFFAOYSA-N 314.353 -0.054 30 20 DBED CNS(=O)(=O)CCC(=O)NCCNc1ncccc1C#N 1093878363 NAWBCALTDRQKGE-UHFFFAOYSA-N 311.367 -0.579 30 20 DBED Cc1cc(=NCCNC(=O)c2ccc3nnnn3c2)c(C#N)c[nH]1 1093986146 BZEGCKWZTGFLQV-UHFFFAOYSA-N 322.332 -0.037 30 20 DBED CCCC(=O)NCC(=O)NCCCN=c1cc[nH]c(C#N)n1 1094322304 XGJYZYYNDPWKEF-UHFFFAOYSA-N 304.354 -0.395 30 20 DBED N#Cc1nccnc1NCCCNC(=O)[C@H]1CC[C@H]1C(N)=O 1094703928 RTRJBGLABAMCMU-ZJUUUORDSA-N 302.338 -0.222 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)c3[nH]c(O)nc3C)CC2=O)C1 1094747433 RZRQEDZSMRHLMJ-SNVBAGLBSA-N 319.365 -0.375 30 20 DBED CC(=O)N[C@H](C)C(=O)N[C@H]1C[C@@H](N=c2cc[nH]cc2C#N)C1 1097144435 GRKPLSSKBWIAFE-WQAKAFBOSA-N 301.350 -0.041 30 20 DBED Cc1cc(=O)c(C(=O)NC[C@@H](C)N=c2cc[nH]c(C#N)n2)c[nH]1 1098039447 KUKIIQIVFFOKQY-SNVBAGLBSA-N 312.333 -0.003 30 20 DBED Cc1ccc(C#N)c(N[C@H](C)CNC(=O)[C@@H]2CNC(=O)N2)n1 1098250093 HCQZZOWZCVCPMQ-KOLCDFICSA-N 302.338 -0.140 30 20 DBED C#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 1099057373 WGDNSEDNUJVKJB-PGUXBMHVSA-N 304.350 -0.812 30 20 DBED CC1(C)CC[C@@H](CNC(=O)CN2CCOCC2=O)N(CC#N)C1 1099106980 ULRBMXVYYWLPSR-ZDUSSCGKSA-N 322.409 -0.024 30 20 DBED C[C@@H](CCNC(=O)CCNC(N)=O)Nc1cncc(C#N)n1 1099147220 MKJNXRFDDKIAIH-VIFPVBQESA-N 305.342 -0.287 30 20 DBED Cc1cc(C#N)nc(N[C@H](C)CCNC(=O)Cn2ncnn2)n1 1099553536 ODTRERCVXRPVMT-SECBINFHSA-N 315.341 -0.350 30 20 DBED CNC(=O)CN1C[C@H](NC(=O)[C@H](C)C#N)CC2(CCOCC2)C1 1099572265 TYSSTFVHVSASIM-CHWSQXEVSA-N 322.409 -0.121 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)Cc2cc[nH]n2)[C@@H](O)C1 1099750918 WAIALOSHSPPNME-KBPBESRZSA-N 308.382 -0.294 30 20 DBED CC(C)C#CC(=O)N[C@H]1CCN(Cc2nncn2C)C[C@@H]1O 1099821213 REDSWQSQABTTHH-STQMWFEESA-N 305.382 -0.474 30 20 DBED C=CC(C)(C)CC(=O)N[C@H]1CCN(Cc2nnn(C)n2)C[C@H]1O 1099851020 TUIJZRANMPSENV-NWDGAFQWSA-N 322.413 -0.136 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2c(C)ncn2C)[C@H](O)C1 1099885621 POGVCOYVLPQDKB-ZIAGYGMSSA-N 320.393 -0.457 30 20 DBED CN(CCNC(=O)[C@@H]1COC(=O)N1)c1ncc(C#N)cc1F 1100049538 KFIVAVHPHVGAJA-JTQLQIEISA-N 307.285 -0.247 30 20 DBED CCN(C)CCC(=O)N[C@@H]1CCN(CC#CCOC)C[C@H]1O 1100063704 BOTWKBUUHYEWGO-HUUCEWRRSA-N 311.426 -0.471 30 20 DBED C=CCCOCC(=O)N[C@H]1CCN(Cc2n[nH]c(C)n2)C[C@@H]1O 1100139516 RWKOZONRFGBULV-STQMWFEESA-N 323.397 -0.243 30 20 DBED Cc1cc(C#N)nc(N(C)CCNC(=O)[C@@H](C)CC(N)=O)n1 1100268631 DRJCTYDBBFSGHD-VIFPVBQESA-N 304.354 -0.279 30 20 DBED CCNC(=O)CC(=O)NC[C@H]1CCN(c2cncc(C#N)n2)C1 1100975575 KAYKKUQDCINVCV-LLVKDONJSA-N 316.365 -0.183 30 20 DBED COCC#CCN1C[C@@H]2CN(C(=O)CNC(N)=O)C[C@]2(C)C1 1101122398 FODBEFISXYISNG-DOMZBBRYSA-N 308.382 -0.915 30 20 DBED CNC(=O)CC(=O)NCCN(c1ccc(C#N)nn1)C1CC1 1101326891 BMULTYZXUOURSA-UHFFFAOYSA-N 302.338 -0.431 30 20 DBED CO[C@@H](C)CC(=O)NC[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1101802610 CIXBBTDZUONNHM-FRRDWIJNSA-N 310.398 -0.265 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1CNC(=O)c1csnn1 1102194543 IHYQUAGIWKXLIM-NXEZZACHSA-N 322.394 -0.524 30 20 DBED Cc1cc(C#N)nc(N2CC[C@@H](CCNC(=O)C(N)=O)C2)n1 1102387704 YNJJPMNSVHMWJR-SNVBAGLBSA-N 302.338 -0.525 30 20 DBED CC[C@@H](CNC(=O)[C@H]1CN(C)C(=O)N1)Nc1ccc(C#N)nn1 1103261804 UBUFTADWRKIFHR-GXSJLCMTSA-N 317.353 -0.321 30 20 DBED N#Cc1nccnc1N1CCC(CCNC(=O)CC(N)=O)CC1 1103678633 CQSLQNSORZKWOJ-UHFFFAOYSA-N 316.365 -0.054 30 20 DBED COCC(=O)NC[C@@H]1CN(c2nc(C)cc(C#N)n2)CCO1 1104282167 SSDBFJTVSHSOBH-GFCCVEGCSA-N 305.338 -0.376 30 20 DBED COC(=O)NCC(=O)N(C)[C@H](C)CNc1cncc(C#N)n1 1104475837 VVWBDJQIQQQTIJ-SECBINFHSA-N 306.326 -0.037 30 20 DBED C=C(C)CNCc1cn(C2CN(C(=O)CNC(C)=O)C2)nn1 1105139256 ANEYVWRMULXLRI-UHFFFAOYSA-N 306.370 -0.537 30 20 DBED CN(CCN(C)c1cncc(C#N)n1)C(=O)c1cnn(C)n1 1105432749 XTLNSKQAJJHVFF-UHFFFAOYSA-N 300.326 -0.315 30 20 DBED CN1C[C@H](C(=O)N(C)CCN(C)c2ccc(C#N)nn2)NC1=O 1105536263 UGCNZAOZKOKQPB-LLVKDONJSA-N 317.353 -0.734 30 20 DBED CC(C)(C)C(=O)C(=O)NC[C@H](O)CNc1nccnc1C#N 1105766449 ZQQCLDFPBQSQAX-SECBINFHSA-N 305.338 -0.148 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H](O)CNc1cccc(F)n1 1105791699 FDAJNPBKQVQWMJ-SNVBAGLBSA-N 308.313 -0.751 30 20 DBED Cc1[nH]nc(C(=O)NC[C@@H](O)CNc2cnc(C#N)cn2)c1O 1105819693 IXWXUROMKQWLKJ-VIFPVBQESA-N 317.309 -0.712 30 20 DBED N#Cc1cncc(NC[C@@H](O)CNC(=O)C[C@@H]2COC(=O)C2)n1 1105820238 UTQNQYREUJCFIR-GXSJLCMTSA-N 319.321 -0.810 30 20 DBED Cc1cc(=NC[C@@H](O)CNC(=O)Cc2ncc[nH]2)c(C#N)c[nH]1 1105938470 XISSTLPHUHTZDW-GFCCVEGCSA-N 314.349 -0.462 30 20 DBED C[C@@H]1CN(C(=O)[C@@H]2CCc3nnc(O)n3C2)C[C@H]1CNCC#N 1106335636 ZXBPXLPQEJORKT-IJLUTSLNSA-N 318.381 -0.246 30 20 DBED C[C@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)[C@H]1CN(C)C(=O)N1 1106518773 FRSPEXKMADSPII-NXEZZACHSA-N 317.353 -0.900 30 20 DBED CC(C)(C)C(=O)C(=O)NCc1cn(C2CN(CC#N)C2)nn1 1107145694 GCYIMGNNFRJFKI-UHFFFAOYSA-N 304.354 -0.110 30 20 DBED C=CCN1CC(n2cc(CNC(=O)Cn3ccnc3)nn2)C1 1107242812 ZUFGDOFUISKCSY-UHFFFAOYSA-N 301.354 -0.166 30 20 DBED C[C@@H](CN=c1cc[nH]cc1C#N)NC(=O)C[C@@H]1CC(=O)NC1=O 1108435565 GZHMACSWADCBIT-VHSXEESVSA-N 315.333 -0.655 30 20 DBED C=C(Cl)CN1CC(N2C[C@H](NC(=O)COC)CC2=O)C1 1108494972 PKPADYKEOVHRSY-SNVBAGLBSA-N 301.774 -0.213 30 20 DBED CCO[C@@H](C(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1)C1CC1 1108546333 UROAGGFCIMOOOK-IUODEOHRSA-N 320.393 -0.274 30 20 DBED C#CCOCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC 1109273780 SNKOHXPZUWLLEZ-RDBSUJKOSA-N 307.394 -0.116 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H](CNc1ccc2nnnn2n1)C1CC1 1109795489 FTRLRZGBTBNNCU-WPRPVWTQSA-N 300.326 -0.014 30 20 DBED N#CCSCC(=O)N(CCO)CCNc1nccnc1C#N 1111442080 YSYUUCLQWBCRJM-UHFFFAOYSA-N 320.378 -0.162 30 20 DBED C#CCO[C@@H](C)C(=O)N(CCO)CCNc1ccc(C#N)nn1 1111511079 WFSGEYCBKXWBNL-LBPRGKRZSA-N 317.349 -0.381 30 20 DBED CS(=O)(=O)CC(=O)NCC1(Nc2cnc(C#N)cn2)CCC1 1111759597 ZARFAMNYUDTCGL-UHFFFAOYSA-N 323.378 -0.156 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)c2ncoc2C)CC1 1112658552 JTFSEJHQGLPAAH-NSHDSACASA-N 304.350 -0.121 30 20 DBED CC[C@@]1(C(=O)N2CCN(CC#CCOC)CC2)CCNC1=O 1112980363 ZMIMZZMMVXSBDK-MRXNPFEDSA-N 307.394 -0.303 30 20 DBED C[C@@H](N=c1cc[nH]c(C#N)n1)[C@@H](C)NC(=O)C1CS(=O)(=O)C1 1113183449 PGKDTVVYAZZOEY-RKDXNWHRSA-N 323.378 -0.880 30 20 DBED C=CCOCCN1CCN(C(=O)C2CC(=O)NC(=O)C2)CC1 1113427513 YDWMABJASNWHIZ-UHFFFAOYSA-N 309.366 -0.614 30 20 DBED Cn1cnnc1CN1C[C@H]2[C@H](NC(=O)CSCC#N)[C@H]2C1 1113891899 ZPSZWDJTUIOTEC-IWIIMEHWSA-N 306.395 -0.382 30 20 DBED CCO[C@H](C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21)C(C)C 1114249825 JNVXAPKGTAXROK-MXYBEHONSA-N 322.409 -0.266 30 20 DBED N#CCNC(=O)CN1C[C@H]2C(NC(=O)Cc3ccccc3)[C@@H]2C1 1114468141 BQPYIAYNNSNQTP-ZIAGYGMSSA-N 312.373 -0.085 30 20 DBED N#Cc1ccc(N2C[C@H]3[C@H](CNC(=O)Cn4cncn4)[C@H]3C2)nn1 1114552263 OIBGWMHPUSRQOU-XYYAHUGASA-N 324.348 -0.562 30 20 DBED Cc1nc(C)c(C(=O)NC2[C@H]3CN(CC(=O)NCC#N)C[C@H]23)[nH]1 1114840284 JRXFBPUHQKUPPY-QWRGUYRKSA-N 316.365 -0.674 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)COC[C@@H]3CCOC3)[C@H]2C1 1114912978 PTOFSBWVWOFVPI-AIANPOQGSA-N 322.405 -0.264 30 20 DBED CN(CCOCCNC(=O)CC(N)=O)c1ccncc1C#N 1115200115 OBTCTZGFRTWCRB-UHFFFAOYSA-N 305.338 -0.602 30 20 DBED N#CCN1C[C@H]2[C@H](NC(=O)CCCCCS(N)(=O)=O)[C@H]2C1 1115368582 VWJJBTCDXSITMB-PJXYFTJBSA-N 314.411 -0.595 30 20 DBED CCNC(=O)CCC(=O)N(C)C[C@@H](C)N=c1cc[nH]c(C#N)n1 1115648992 IFVFPEMFBRIONT-LLVKDONJSA-N 318.381 -0.055 30 20 DBED C[C@@H](CN(C)C(=O)c1nnn(C)n1)Nc1ccc(C#N)nn1 1120501132 CLXBWYXEONIIMX-QMMMGPOBSA-N 301.314 -0.556 30 20 DBED N#CCSCC(=O)NC[C@@H](CO)Nc1ncnc2[nH]cnc12 1121079504 RBHXSTRJCZTRBZ-QMMMGPOBSA-N 321.366 -0.501 30 20 DBED C[C@@H](C(=O)NC[C@H](CO)Nc1cnc(C#N)cn1)n1cncn1 1121345781 FTJPATRTIFJAEQ-GXSJLCMTSA-N 316.325 -0.910 30 20 DBED C=CCCOCC(=O)NC[C@@H](CO)Nc1nccc(OC)n1 1121750344 YAHIEJMNGRHAGH-NSHDSACASA-N 310.354 -0.033 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)CCOC 1122417081 OCMBSIJTCIHDQH-JTQLQIEISA-N 300.359 -0.871 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)C[C@@H]1CCCO1 1124174296 LDCOWZDNJRZLCI-NEPJUHHUSA-N 319.365 -0.430 30 20 DBED C=CCCC(=O)NCCN[C@@H](C)C(=O)N1CCC[C@H](C(N)=O)C1 1124640940 VGVMXEZFWFPEJP-STQMWFEESA-N 324.425 -0.229 30 20 DBED C#CCOCCC(=O)NCCNCc1cc(=O)n2nccc2[nH]1 1127031500 FJSZKEWJSMXOPO-UHFFFAOYSA-N 317.349 -0.732 30 20 DBED C#CCCN[C@@H]1CN(C(=O)c2cnns2)C[C@@H]1n1ccnn1 1129608744 XKLUNQSQLHYIPP-MNOVXSKESA-N 317.378 -0.192 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cccc2c1CCOC2 1131201656 VLCKGJHZBSGHLH-UHFFFAOYSA-N 315.373 -0.172 30 20 DBED CCC(=O)N1C[C@@H](C)O[C@@]2(CCN(CC(=O)NCC#N)C2)C1 1131615069 CPSPZQCYBDQVTR-IUODEOHRSA-N 308.382 -0.272 30 20 DBED C[C@@H]1CC[C@@H](NC(=O)c2nc[nH]n2)CN1CC(=O)NCC#N 1132368186 KPNCZMUXGQIMFW-NXEZZACHSA-N 305.342 -0.973 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1cc(C2CC2)[nH]n1 1134240038 WTFSCWKJSGQLAC-SNVBAGLBSA-N 303.366 -0.256 30 20 DBED CCN(CC)[C@@H](C(=O)NCCNCC(=O)NCC#N)C(C)C 1135477312 BHKMGOMHZPNQPR-CQSZACIVSA-N 311.430 -0.302 30 20 DBED Cc1nonc1CC(=O)N[C@H](C)C[C@@H](C)NCC(=O)NCC#N 1135820366 AADVRIPVTFJWCR-NXEZZACHSA-N 322.369 -0.567 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CCN(C(C)=O)C1 1149324887 DNWNPYIYNRVLAM-DGCLKSJQSA-N 310.398 -0.749 30 20 DBED C=CCNC(=O)CN1CCCO[C@H](CNC(=O)C#CC2CC2)C1 1149687594 PZZYREJJIJOWBI-OAHLLOKOSA-N 319.405 -0.091 30 20 DBED C[C@@H](Oc1ccccc1)C(=O)NCCNCC(=O)NCC#N 1149778928 QGXHIVMUXLTRAY-GFCCVEGCSA-N 304.350 -0.201 30 20 DBED CC#CCN1CCCO[C@@H](CNC(=O)COCCN(C)C)C1 1150590082 YIRIHIRFYGQDBY-HNNXBMFYSA-N 311.426 -0.205 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)Cc1n[nH]c(C)n1 1153266402 QGHYPXYZVMXVTI-SNVBAGLBSA-N 321.385 -0.878 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H](C)N(CC)Cc1nc(O)n[nH]1 1153331574 HBXKAVQKQDKTEN-GHMZBOCLSA-N 309.370 -0.125 30 20 DBED C#CCN(CC)[C@H](C)CNC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O 1154987357 PKUHCWCBPAXCOR-DOMZBBRYSA-N 319.409 -0.083 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@@H]1CN2CCC[C@@H]2CO1 1158486570 OHYHHNPXWCCRIL-KGLIPLIRSA-N 324.425 -0.752 30 20 DBED COCC1(CNC(=O)[C@H]2CCN(C)C2=O)CCN(CC#N)CC1 1162419735 VAZHBFAABPQFAR-CYBMUJFWSA-N 322.409 -0.167 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NCCCNCC(=O)NCC 1167685000 ONNLOINTXUFXFQ-ZDUSSCGKSA-N 312.414 -0.311 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H](C)CCCCNCC(=O)NCC#N 1170743874 ZKSFRPPIOPRBNI-KBPBESRZSA-N 322.409 -0.071 30 20 DBED C#CCNC[C@H]1C[C@H]2CC[C@H]1N(C(=O)c1nnc(O)nc1O)C2 1177830014 OUIFIFWDAVHABJ-GMTAPVOTSA-N 317.349 -0.254 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](NCC(=O)NCCC)[C@@H]1C 1178508392 BNGABEMLFQBYAE-STQMWFEESA-N 322.409 -0.769 30 20 DBED C=CCOCC(=O)N1CC[C@@H](NC[C@@H](O)COCCOC)C1 1181617344 AMOHJQOBJMXQKZ-ZIAGYGMSSA-N 316.398 -0.597 30 20 DBED CNC(=O)NCC(=O)N1CC[C@@H](CNCC#CCOC)[C@H](C)C1 1184510556 FGAMAONDWIKHPC-KGLIPLIRSA-N 324.425 -0.361 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)[C@]2(C)CCC(=O)NC2)C1 1185077784 GKPFPNMSLHQWOG-MLGOLLRUSA-N 322.409 -0.605 30 20 DBED CCCn1cc(C(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)nn1 1186637783 FUIILLAPOUXNBA-LLVKDONJSA-N 319.369 -0.868 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]2CN(CCNS(C)(=O)=O)C[C@H]21 1187335641 WLKKEQBIQLNICB-GRYCIOLGSA-N 314.411 -0.772 30 20 DBED Cn1ccnc1COCC(=O)N1CC[C@H]2CN(CC#N)C[C@H]21 1188292600 AZVMTBOWTLYCIV-QWHCGFSZSA-N 303.366 -0.007 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)CNC(=O)CCC)C1 1189168773 FHDOYMQTRDZVBL-CYBMUJFWSA-N 324.425 -0.262 30 20 DBED C=CCNC(=O)[C@H](C)N(C)[C@@H]1CCN(C(=O)c2nc[nH]n2)C1 1192934187 ZVHBKHULXLCJFL-WDEREUQCSA-N 306.370 -0.358 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)c2cn(C)cn2)CC1 1195480630 LPGOGYJMZPMZQL-UHFFFAOYSA-N 305.382 -0.130 30 20 DBED C#CCOCCC(=O)N1CCCN(CCS(C)(=O)=O)CC1 1195824128 JNGQQCPEQSCTAU-UHFFFAOYSA-N 316.423 -0.395 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCCN(C(=O)c2cnn(C)n2)CC1 1197435622 MPRFFVBJBQUXLT-GFCCVEGCSA-N 320.397 -0.346 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC(NCC(=O)N2CCC2)CC1 1200494390 BJSQUSFBPBXMHT-ZDUSSCGKSA-N 307.394 -0.162 30 20 DBED C#CCNC[C@H]1CN(C(=O)[C@@H]2CCN(C)C(=O)C2)CCCO1 1200824297 LGJKKPROSKDBGQ-KGLIPLIRSA-N 307.394 -0.305 30 20 DBED C=CCn1cc(C(=O)N2CCCO[C@@H](CNCCCO)C2)nn1 1201585021 LWMAFLCTUUVYMW-ZDUSSCGKSA-N 323.397 -0.333 30 20 DBED C#CCNC[C@@H]1CN(C(=O)c2cc(C(N)=O)c[nH]2)CCCO1 1201720574 TYFKOSLWOTVNHQ-GFCCVEGCSA-N 304.350 -0.433 30 20 DBED COCC(=O)NCCC(=O)N[C@H]1C[C@H](NCC#N)C12CCC2 1202997532 YHMRDNNNQPLUOF-RYUDHWBXSA-N 308.382 -0.320 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)[C@@]2(C)CCOC2)CC1 1203052058 KGSIHYAZHYFPAA-INIZCTEOSA-N 307.394 -0.257 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)CC(=O)NCC)C1 1207877507 JPZZJBOUXOAQTJ-CHWSQXEVSA-N 324.425 -0.216 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)CN2CCC[C@H]2C)C1 1209630661 AUWOQZLKXAQJCA-CABCVRRESA-N 320.437 -0.199 30 20 DBED CC#CCN1C[C@@H](NC(=O)COCc2nncn2C)[C@H](OC)C1 1213654228 RFDPYIJTPNXFRA-CHWSQXEVSA-N 321.381 -0.830 30 20 DBED C[C@@H]1CN(C(=O)CC2=CCOCC2)C[C@H]1NCC(=O)NCC#N 1215478194 IWSJALKQWYTONM-TZMCWYRMSA-N 320.393 -0.201 30 20 DBED CC[C@@H](C)C(=O)NCC(=O)N1CCO[C@@H]2CN(CC#N)C[C@@H]21 1219035979 DDXWJWKQYNWGBO-FRRDWIJNSA-N 308.382 -0.416 30 20 DBED CCN(CCC#N)C(=O)CN1C[C@H](O)[C@H](NC(=O)C(C)C)C1 1219189007 AMCVMDAXCBEYEH-OLZOCXBDSA-N 310.398 -0.434 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)c2cnn(CC)c2)C1 1219374410 ZWWNZGJAYLVQBO-KGLIPLIRSA-N 308.382 -0.120 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)C2(C(=O)N(C)C(C)C)CC2)C1 1220646783 MAPWCQGCYXMKJX-OLZOCXBDSA-N 307.394 -0.572 30 20 DBED CN1CCCC[C@@H]1C(=O)NC1CCN(CC(=O)NCC#N)CC1 1227996298 YHPMMISLAITROC-CQSZACIVSA-N 321.425 -0.309 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC(NC(=O)c2cccnn2)CC1 1229707847 UYFHSBAGYMGQNR-LBPRGKRZSA-N 315.377 -0.191 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CCCC(N)=O 1230361341 OHSLYUXUHNFJBI-VXGBXAGGSA-N 323.397 -0.701 30 20 DBED C=CCNC(=O)CN1CC[C@H]1CN(C)C(=O)CCn1cncn1 1230776708 UGOXXFMZBIPPPP-ZDUSSCGKSA-N 320.397 -0.497 30 20 DBED C[C@@H](CS(C)(=O)=O)NC(=O)C(=O)N1CCC(CC#N)CC1 1258452238 RVRVYUOTBIBLEQ-JTQLQIEISA-N 315.395 -0.312 30 20 DBED CC(C)N(CC(N)=O)C(=O)CCN/C(O)=C1\N=CC=CC1=O 1318851016 OUJVKFQFNFHQEZ-BUHFOSPRSA-N 308.338 -0.375 30 20 DBED C[C@H](C#N)CN(C)C(=O)C(=O)Nc1cnn(CC(=O)N(C)C)c1 1320868801 KAPQMKVIYFFSEV-SNVBAGLBSA-N 320.353 -0.472 30 20 DBED O=C(NCC#Cc1ccccc1)C(=O)NCCNC(=O)C1CC1 1321466288 NRAUZPZNMUCHJF-UHFFFAOYSA-N 313.357 -0.203 30 20 DBED COC(=O)[C@H](C)CNC(=O)C(=O)Nc1ccn(CCC#N)n1 1322448908 HGISQYPIZATCOD-SECBINFHSA-N 307.310 -0.339 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@@H](C)c1nc(C)no1)[C@@H]1CCCO1 1322599909 YUYKFYMYDXXSCT-LSJOCFKGSA-N 306.322 -0.148 30 20 DBED CCn1nc(NC(=O)C(=O)NCC(=O)NCC#N)cc1C1CC1 1323806006 AAYQIFSUXMBSQK-UHFFFAOYSA-N 318.337 -0.525 30 20 DBED Cc1c(C(=O)N[C@@](C)(C#N)CN(C)C)nnn1-c1cnn(C)c1 1326446394 KVSWCCARIHYBRV-AWEZNQCLSA-N 316.369 -0.117 30 20 DBED C=C(CC)CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 1327757253 FPEKVKAVPSMQGP-ZDUSSCGKSA-N 323.393 -0.081 30 20 DBED C[C@@H](O)[C@H]1CCCN1C(=O)C(=O)NC1CCN(CC#N)CC1 1330447094 GXDSLTLZEDSUMT-DGCLKSJQSA-N 308.382 -0.538 30 20 DBED C#CCN(C(=O)C(=O)N1C[C@H](C)S(=O)(=O)[C@@H](C)C1)C(C)C 1335688830 IXCDCZOEMRICSS-RYUDHWBXSA-N 314.407 -0.109 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N[C@H]2C[C@@H](C(=O)OC)C2)nn1 1345700812 XWRYPCQKTQOHJV-AOOOYVTPSA-N 321.337 -0.852 30 20 DBED C=CCn1cc(CNC(=O)N[C@H]2CCc3c(nnn3C)C2)nn1 1349783697 BKTHBOIKCNDSLF-JTQLQIEISA-N 316.369 -0.051 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)NCc2cccc3c2OCC3)CCO1 1354977441 DNQBVXUQHLHEKT-CYBMUJFWSA-N 315.329 -0.011 30 20 DBED C#Cc1cccc(Cn2nnnc2N2CCN3C(=O)NC[C@H]3C2)c1 1355780388 HOTSPACYFWYNQH-AWEZNQCLSA-N 323.360 -0.084 30 20 DBED N#Cc1cccc(C(=O)N2CCS(=O)(=O)[C@H]3COCC[C@@H]32)n1 1363252122 VZGWSYADPCFFJO-STQMWFEESA-N 321.358 -0.019 30 20 DBED CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)Nc1ccnc(C#N)c1 1364410050 UZDAEEKEBRYVRX-WDEREUQCSA-N 310.335 -0.113 30 20 DBED CS(=O)(=O)Cc1noc(CN2CC[C@](O)(CC#N)C2)n1 1364456449 NQBSNJRAPQPDLA-LLVKDONJSA-N 300.340 -0.535 30 20 DBED COCCN(CCNC(=O)[C@@H](C)C#N)C(=O)c1nnn(C)c1C 1371151677 UTVSSMODFVYRLL-JTQLQIEISA-N 322.369 -0.512 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC(CNC(=O)Cc3nc[nH]n3)C2)c1 1374915912 YRIZFJQPHCMUJS-UHFFFAOYSA-N 313.321 -0.565 30 20 DBED C=C(Br)CNC[C@H](O)CNC(=O)[C@@H](C)NC(C)=O 1379160204 IDMRYTLQYSFWJV-SCZZXKLOSA-N 322.203 -0.514 30 20 DBED C[C@H](C#N)C(=O)N(C)C[C@H]1CCCN1C(=O)CS(C)(=O)=O 1382615308 MCTYZEACBAGBJV-GHMZBOCLSA-N 315.395 -0.360 30 20 DBED Cc1nsc(N(C)CCNC(=O)CCn2cnnn2)c1C#N 1396156274 JZUWSSKCUFTZRD-UHFFFAOYSA-N 320.382 -0.048 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CCN(C(=O)c2cnc3[nH]nnc3c2)C1 1396940851 DMLYPLLPCUJZTD-SCZZXKLOSA-N 313.321 -0.157 30 20 DBED C=C(Cl)CNC[C@H](O)CNC(=O)c1ccc2nn[nH]c2n1 1401535071 CNTDXGVWIZHOIN-QMMMGPOBSA-N 310.745 -0.214 30 20 DBED C=C(Cl)CNC[C@@H](C)N(C)C(=O)Cn1ncn(C)c1=O 1405841363 KVZIJZSMAIPMSY-SNVBAGLBSA-N 301.778 -0.229 30 20 DBED CC[C@H](CNC(=O)CN(C)S(C)(=O)=O)NC(=O)[C@@H](C)C#N 1409297040 OEPCPROMNSGZHX-VHSXEESVSA-N 318.399 -0.952 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@@H]2CNC(=O)Cn2cncn2)[nH]1 1410651210 KXQFKKYTWIGMQQ-LLVKDONJSA-N 313.321 -0.491 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N[C@H]2CCN(CC(F)F)C2)CCO1 1413378443 SPNBZKPGKRGTMR-VHSXEESVSA-N 324.353 -0.615 30 20 DBED Cn1c(=O)[nH]c(N[C@H](CCO)C2CCOCC2)c(C#N)c1=O 1413884935 GPSIAPTWUBKSJL-LLVKDONJSA-N 308.338 -0.465 30 20 DBED CO[C@H](C(=O)NCC1CN(C(=O)[C@H](C)C#N)C1)c1cnn(C)c1 1416109399 YXTUDHHIKWXMLA-MFKMUULPSA-N 319.365 -0.158 30 20 DBED CCOC(=O)C1(CNS(=O)(=O)N2CCO[C@H](C#N)C2)CC1 1424632482 XEGNDBSXUUAYQO-SNVBAGLBSA-N 317.367 -0.612 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(CC1)C[C@H]2NC(=O)CCNC(N)=O 1427832108 WXUPBWSJRKVGON-WDEREUQCSA-N 321.381 -0.298 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)c2cccc(=O)n2C)CC1 1433980407 NGBDNBOABHGSDZ-JTQLQIEISA-N 302.334 -0.076 30 20 DBED CC(=O)NCC(=O)NC[C@H](O)CNCc1ccccc1C#N 1445155121 XZRFDRHZYIBBLK-CQSZACIVSA-N 304.350 -0.739 30 20 DBED N#Cc1cn(CC(=O)NC[C@H](O)c2ccsc2)c(=O)nc1O 1445683755 WOPLBZNNLIQTSJ-JTQLQIEISA-N 320.330 -0.268 30 20 DBED CCC(=O)NCC(=O)N1C[C@H]2CCN(C(=O)[C@@H](C)C#N)C[C@H]21 1445689573 LHQYJPPNQXSUFY-QJPTWQEYSA-N 306.366 -0.268 30 20 DBED C[C@H](CNC(=O)CN1CCOCC1)NC(=O)c1ccc(C#N)[nH]1 1454592775 RVIZQSWUMASDAD-LLVKDONJSA-N 319.365 -0.547 30 20 DBED C=CCNC(=O)NC(=O)CN1CCC[C@@H](NC(=O)C2CC2)C1 1494250561 HDRBIXPFFOCUEV-GFCCVEGCSA-N 308.382 -0.011 30 20 DBED Cn1nncc1C(=O)NC[C@H](O)CNCc1ccc(C#N)s1 1496976373 NMJKEBWTEUXACX-SECBINFHSA-N 320.378 -0.371 30 20 DBED C[C@H](C#N)C(=O)N1CC(CNC(=O)CNC(=O)C(C)(C)C)C1 1498544898 VHYRHJWVOZRCET-SNVBAGLBSA-N 308.382 -0.117 30 20 DBED COCCC(=O)NCc1nc(O)cc(CNC(=O)[C@@H](C)C#N)n1 1515365976 RLRXFPPZENEPMJ-VIFPVBQESA-N 321.337 -0.389 30 20 DBED CC(=O)N1CCC[C@H](C(=O)N2CC(NC(=O)[C@@H](C)C#N)C2)C1 1530618519 TXHBYLUSIFNFBD-JQWIXIFHSA-N 306.366 -0.268 30 20 DBED C#CCCCCC(=O)N1C[C@@H](O)[C@H](NC(=O)CNC(=O)O)C1 1573303805 TWDDTGRAEPKONM-GHMZBOCLSA-N 311.338 -0.865 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](Nc2nccnc2-c2nn[nH]n2)C1 1573565289 PTQOHRXPIVZECC-RKDXNWHRSA-N 313.325 -0.171 30 20 DBED C#CCNCCN(CCO)C(=O)c1cncc(-c2cnn[nH]2)c1 1575005137 VUOOFAXINCAXGN-UHFFFAOYSA-N 314.349 -0.476 30 20 DBED C=CCSCCNC(=O)C(=O)N1CC[C@@](OC)(C(=O)O)C1 1588878951 OUIOAXWVJHHGTA-ZDUSSCGKSA-N 316.379 -0.276 30 20 DBED CC#CCN1CCN(CCCNC(=O)[C@@H]2C[C@H]2C(=O)O)CC1 1588931128 LPHVKZJNSXPNAD-ZIAGYGMSSA-N 307.394 -0.146 30 20 DBED N#Cc1nc(NC[C@H](O)C(F)(F)F)cnc1-c1nn[nH]n1 1592707593 ONYBPCTYTIRVMR-YFKPBYRVSA-N 300.204 -0.137 30 20 DBED N#Cc1nccnc1N1CCN(C(=O)[C@H]2C[C@H]2C(=O)O)CC1 1601134942 CZCFUAXJQPSGRY-VHSXEESVSA-N 301.306 -0.282 30 20 DBED C#C[C@@H](CC)NC(=O)CCn1cc(-c2nn[nH]n2)c(O)nc1=O 1602690075 QUALTKGHGIUTJY-QMMMGPOBSA-N 317.309 -0.953 30 20 DBED Cc1onc(CC(=O)N[C@@H](CC2OCCO2)C(=O)O)c1C#N 1608058155 GFNUGAQZZATUGD-JTQLQIEISA-N 309.278 -0.270 30 20 DBED C=CCOC[C@@H](NC(=O)[C@@H]1CCCCS1(=O)=O)C(=O)O 1609432184 IKVDMBICJZIPBU-ZJUUUORDSA-N 305.352 -0.274 30 20 DBED Cn1c(C#N)ccc1-c1nnc(N2CCS(=O)(=O)CC2)n1C 1647680525 WTMUMHBJGZEMFE-UHFFFAOYSA-N 320.378 -0.073 30 20 DBED N#C[C@H]1CN(C(=O)CCn2cnc3c(N)ncnc32)CCO1 1649893442 RKCIASWTESTHQZ-VIFPVBQESA-N 301.310 -0.450 30 20 DBED C#CCO[C@@H](C)C(=O)N1[C@H]2CC[C@H]1CN(CC(=O)NCC)C2 1752534485 KKDGEGOWIZVVNK-IHRRRGAJSA-N 307.394 -0.164 30 20 DBED N#CCSCC(=O)NC[C@H]1CCCN([C@H]2CCNC2=O)C1 1752777069 JUWOTYJGKMQRKO-NEPJUHHUSA-N 310.423 -0.040 30 20 DBED C=CCNC(=O)CNC[C@]1(NC(=O)C(N)=O)CCCC[C@H]1C 1753536667 XFPOOOYOHZXEMS-IAQYHMDHSA-N 310.398 -0.571 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@H](C)CNC(=O)c1cnn(CC)c1 1753606593 AQDQFODPQKHVAG-STQMWFEESA-N 319.409 -0.004 30 20 DBED C#CCNC(=O)CNCC[C@H](C)NC(=O)c1ncc(OC)cn1 1753980510 JUBOKKNAILYKKW-NSHDSACASA-N 319.365 -0.667 30 20 DBED C[C@H](CNCC(=O)NCC#N)NC(=O)c1cnc2[nH]ncc2c1 1754230890 MMBPWTIHRUYHRW-SECBINFHSA-N 315.337 -0.694 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@H](NC(=O)c1[nH]cnc1C)C1CC1 1754461909 XKEVEKQDKLPSHT-AAEUAGOBSA-N 317.393 -0.046 30 20 DBED C=CCNC1(CNC(=O)Cn2[nH]cc3c(=O)ncnc2-3)CC1 1754529259 CTKQJDKXLKSWLR-UHFFFAOYSA-N 302.338 -0.504 30 20 DBED CC#CCCCC(=O)NC[C@@]1(O)CCN(Cc2nnnn2C)C1 1754753839 DBIAHPHGNXSADB-HNNXBMFYSA-N 320.397 -0.543 30 20 DBED C=CCCCN1CC(O)(CNC(=O)[C@@H]2CCS(=O)(=O)C2)C1 1754770347 HUAYADLANUHGPC-GFCCVEGCSA-N 316.423 -0.450 30 20 DBED C#CCN1CCC(CO)(NC(=O)c2ccnc(OC)n2)CC1 1755179000 ZSUCWMSRKWNMQF-UHFFFAOYSA-N 304.350 -0.325 30 20 DBED CC(C)C#CC(=O)NCC1[C@@H]2CN([C@@H]3CCC(=O)NC3=O)C[C@@H]12 1755423610 SOUGAFDTWPYQRU-MELADBBJSA-N 317.389 -0.255 30 20 DBED C#CCNC(=O)CNC[C@H]1C[C@H](NC(=O)CSCC#N)C1 1755465905 ATPDVZKWNRYTKD-HAQNSBGRSA-N 308.407 -0.523 30 20 DBED N#Cc1ccc(C(=O)NCCOCCCN[C@@H]2CCNC2=O)[nH]1 1755553261 PGMXIBVDDHZZDG-GFCCVEGCSA-N 319.365 -0.499 30 20 DBED C#Cc1ccc(C(=O)NC[C@H](CO)NCc2ncccn2)nc1 1755644851 GCBZZECJRIBPFG-CYBMUJFWSA-N 311.345 -0.267 30 20 DBED C#CCCNC[C@@H](O)CN(C)C(=O)[C@H](C)CN1CCOCC1 1755796847 UGGHYIJTRXXYCC-HUUCEWRRSA-N 311.426 -0.613 30 20 DBED C[C@H](C#N)C(=O)N(C)C[C@@H]1CCCN1C(=O)C1(C(N)=O)CC1 1755925563 MQDLOONSHYMWBN-MNOVXSKESA-N 306.366 -0.139 30 20 DBED C=C(C)C(C)(C)C(=O)N(C)C[C@@H](O)CN(C)C(=O)CC(N)=O 1756683869 LNJDVJWQWVQWCV-NSHDSACASA-N 313.398 -0.258 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC(OCCO)CC1 1771689275 AHSJXIBZPGLEBC-NSHDSACASA-N 305.400 -0.062 30 20 DBED CC(C)(C#N)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CNC(=N)N 1795980828 TWRVCDAQNOCOCD-JGPRNRPPSA-N 320.397 -0.343 30 20 DBED C[C@@H](S)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](N)CN 1796782953 IWWINOPWAUPEJM-NZFPMDFQSA-N 300.428 -0.771 30 20 DBED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCOC1)CCO2 1840540058 PEXQIHZKXCXPTP-XJKSGUPXSA-N 322.361 -0.888 30 20 DBED NCC(=O)N1CC2(CCCN2C(=O)/C=N/O[C@@H]2CCCCO2)C1 1844300209 ROJMPMLAJINNMB-IREQLNLFSA-N 324.381 -0.323 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)NC[C@H]2CCOC2)CC1 114943926 PXTYYZWWSGGKNB-CYBMUJFWSA-N 310.398 -0.348 30 20 DBED C[S@@](=O)C1(C/N=C(/N)N2CCN(c3ncccn3)CC2)CC1 262817436 XCFGWUPHONAHNU-JOCHJYFZSA-N 322.438 -0.176 30 20 DBED C#CCSCCNC(=O)c1cc(S(N)(=O)=O)cn1C 265755480 AFODPQRHMTYZJT-UHFFFAOYSA-N 301.393 -0.231 30 20 DBED COCCOC[C@@H]1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)C1 266223003 IGDWLCHDXLTKNK-LLVKDONJSA-N 322.365 -0.555 30 20 DBED COc1cccc(/C(N)=N/OCc2cc(=O)n(C)c(=O)n2C)c1 266234545 VEVJABBOSJDHFV-UHFFFAOYSA-N 318.333 -0.070 30 20 DBED C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C#N)cc2)C[C@@H](C(N)=O)O1 268515561 YANLLUHFZJQQIY-SKDRFNHKSA-N 316.317 -0.402 30 20 DBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[C@H](O)C1 268960516 ZZHTUJAHEAIGKG-JQWIXIFHSA-N 323.374 -0.182 30 20 DBED COC[C@@](C)(C#N)NC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O 269637797 XKSCOYLNWAPQJF-ZIAGYGMSSA-N 308.338 -0.248 30 20 DBED Cn1c(O)nc(=O)c2cc(S(=O)(=O)NCCCC#N)cnc21 273517287 JGWGNDYSXVENSY-UHFFFAOYSA-N 323.334 -0.384 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H](C)CNC(=O)[C@@H](C)OCC#C 295532851 HENACWMAPAGMPY-ZSOGYDGISA-N 308.378 -0.069 30 20 DBED COCC1(O)CN(C(=O)CNC(=O)c2ccc(C#N)cc2)C1 295570833 OZVZMONIXDFENW-UHFFFAOYSA-N 303.318 -0.492 30 20 DBED Cc1ccc(S(=O)(=O)NCC(=O)NCC#CCO)cc1C 298829707 CDSNDAFNDBHWNN-UHFFFAOYSA-N 310.375 -0.306 30 20 DBED O=C(C/N=C(/O)N[C@@H]1CCc2nc[nH]c2C1)N1CCOCC1 329625947 SZHDDRINVHHEMR-SNVBAGLBSA-N 307.354 -0.371 30 20 DBED CCCCNC(=O)[C@H]1CSCN1C(=O)Cn1cnc(C#N)n1 331141343 KLGZGKSIRFOXFG-SNVBAGLBSA-N 322.394 -0.032 30 20 DBED COCC[C@H](CO)NS(=O)(=O)N(CCC#N)CCOC 337253116 RVKWDNIMUXUTDA-LLVKDONJSA-N 309.388 -0.920 30 20 DBED N#Cc1cccc(CNC(=O)Cn2cc(S(N)(=O)=O)cn2)c1 338778478 DYGRLJBRTRUYAH-UHFFFAOYSA-N 319.346 -0.281 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N2CCC[C@H](CO)CC2)CCO1 339127187 XPWCZASVDLSUEY-NWDGAFQWSA-N 303.384 -0.450 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)N[C@@H](CO)[C@H]2CCCO2)cc1 344944454 PDFRPRVRFRCYDP-UONOGXRCSA-N 317.345 -0.056 30 20 DBED CO[C@H]1CCN(C(=O)C(=O)Nc2cc(C)n(CCC#N)n2)C1 349281674 KODYXBMCCIYOSD-NSHDSACASA-N 305.338 0.291 30 20 DBED CN(CC#N)S(=O)(=O)CCCS(=O)(=O)NC1CC=CC1 349592029 MMERCKXGGVSMAN-UHFFFAOYSA-N 321.424 -0.200 30 20 DBED N#Cc1cncc(S(=O)(=O)NCc2ccc(C(N)=O)nc2)c1 352258317 VLCRXCIQCVDICW-UHFFFAOYSA-N 317.330 -0.074 30 20 DBED C=CCOCC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 354060655 GSSKMMPBNXORRC-UHFFFAOYSA-N 311.382 -0.808 30 20 DBED COC(=O)C1(CS(=O)(=O)N2CCOC[C@H]2C#N)CCC1 408238971 ZMTVSSQCPFACFB-SNVBAGLBSA-N 302.352 -0.116 30 20 DBED C[C@@H](C#N)S(=O)(=O)N1CC(S(=O)(=O)NC2CCCC2)C1 416456479 MFCSUSHWWYSAMT-VIFPVBQESA-N 321.424 -0.226 30 20 DBED C#CCN(CC#CC)C(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1 490800444 QYABAMRYYISOOP-LBPRGKRZSA-N 322.390 -0.428 30 20 DBED C=CCN(C(=O)CCNC(=O)OC)[C@H]1CCS(=O)(=O)C1 491256800 WIOPWOVRPXGHNO-JTQLQIEISA-N 304.368 -0.066 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CCCOCC2)CC1 491727669 GPCGRKLUCMMEAJ-AWEZNQCLSA-N 307.394 -0.303 30 20 DBED CC(C)(C)OC(=O)NC[C@@H]1CN(CC(=O)NCC#N)CCO1 495553715 BDXOSLDKGIHTHT-LLVKDONJSA-N 312.370 -0.148 30 20 DBED N#Cc1ccccc1OC[C@H](O)CN1CC[C@@H](CO)[C@H](O)C1 528469366 GTXCNLFJYYPZLI-RRFJBIMHSA-N 306.362 -0.027 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)NCc2cnn3ccccc23)CCO1 560482460 CKMJMRDBCYJROD-GFCCVEGCSA-N 321.362 -0.107 30 20 DBED CC(C)N1C[C@H](NS(=O)(=O)N2CCO[C@H](C#N)C2)CC1=O 584666812 XRDJOOQEOMTMJK-GHMZBOCLSA-N 316.383 -0.946 30 20 DBED CC[C@@H](O)CNC(=O)CNS(=O)(=O)c1cccc(C#N)c1 591545121 DMQKPJDMSIKHON-LLVKDONJSA-N 311.363 -0.276 30 20 DBED N#Cc1ccc(S(=O)(=O)CCNC[C@@H]2CCCC(=O)N2)nc1 591763760 HOCHCJLBOWCQPS-LBPRGKRZSA-N 322.390 -0.015 30 20 DBED N#Cc1cc(F)ccc1CS(=O)(=O)N1C[C@H](O)[C@@H](O)C1 599380635 XLCYBJAAIZFASJ-RYUDHWBXSA-N 300.311 -0.435 30 20 DBED CC(C)[C@H]1CN(C(=O)C(=O)N2CCN(CCC#N)CC2)CCO1 601461485 FTFWAKWWABGADZ-CQSZACIVSA-N 322.409 -0.072 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)NCCOC[C@@H]1CCOC1 619709646 WILIMJVOLVRPDS-VXGBXAGGSA-N 305.400 -0.035 30 20 DBED CCOC[C@@H](C(=O)OC)N(C)S(=O)(=O)N(C)C[C@@H](C)C#N 619712350 HAOUMIYMTHGLBF-QWRGUYRKSA-N 321.399 -0.167 30 20 DBED C#CCN1CCN(C(=O)CN2CCC[C@@]2(C)C(=O)OC)CC1 759830062 CRNNICPLXYWCCC-INIZCTEOSA-N 307.394 -0.209 30 20 DBED C#CCNS(=O)(=O)N1CCN([C@H](CC)C(=O)OCC)CC1 761038249 URJPELAGLXPZSM-GFCCVEGCSA-N 317.411 -0.587 30 20 DBED C#CCN1CCC(C(=O)OCC(=O)NCCC(=O)OC)CC1 772119909 HDTBJFRGRLUIEX-UHFFFAOYSA-N 310.350 -0.446 30 20 DBED C#CCOCCNC(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1 784551372 XRCSCNIASWOVRV-NSHDSACASA-N 303.384 -0.689 30 20 DBED CC(C)(C)[S@@](=O)CCNS(=O)(=O)N1CCO[C@@H](C#N)C1 800055193 OGYCVSXELYZSJP-OVWNDWIMSA-N 323.440 -0.408 30 20 DBED COCCN(CCC#N)S(=O)(=O)NC1COC(C)(C)OC1 800108769 GYMGOVOMMSZJLR-UHFFFAOYSA-N 321.399 -0.166 30 20 DBED N#CCNC(=O)CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 804819638 CSFQLBZVXNHWCO-UHFFFAOYSA-N 307.222 -0.127 30 20 DBED COc1cccc([C@H](O)CNC(=O)NCC(=O)NCC#N)c1 807552171 QBCWDYNKUUXRKK-GFCCVEGCSA-N 306.322 -0.332 30 20 DBED C=C[C@H](O)C(=O)OCC(=O)Nc1ccccc1S(N)(=O)=O 814548630 FMULQALFPIOLKX-VIFPVBQESA-N 314.319 -0.637 30 20 DBED Cn1c(Cl)cnc1Cn1c(N)nc(-c2nn[nH]n2)c1C#N 822601276 WTGYBYRUNRDMOO-UHFFFAOYSA-N 304.705 -0.048 30 20 DBED C#CCOCCC(=O)N1[C@H]2CC[C@H]1[C@H](C(=O)O)[C@@H]2C(=O)OC 833364198 LFCUNRCXEXLACR-XRRVDJEJSA-N 309.318 -0.111 30 20 DBED CNS(=O)(=O)c1ccc(C)c(C(=O)N[C@H]2CNC[C@H]2C#N)c1 834516722 LFZCAMWMIKXKBB-MFKMUULPSA-N 322.390 -0.256 30 20 DBED O=C(Cc1ccc(O)cc1)NCC(=O)N[C@@H]1CCCN(O)C1=O 848135375 MPCJROIGYARZEM-GFCCVEGCSA-N 321.333 -0.453 30 20 DBED C=C[C@H](CO)NCC(=O)NN1C(=O)NC2(CCC(C)CC2)C1=O 852714295 HOVVCTUVRSTUTC-LOIXOFCESA-N 324.381 -0.345 30 20 DBED C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N[C@@H]1C=CCC1 852904540 LYZLJHNVOTYHRX-WDEREUQCSA-N 321.424 -0.154 30 20 DBED C#C[C@@H](NC(=O)N1CC(S(=O)(=O)CC)C1)[C@H]1CCCO1 854004509 SRDYFUMUPPVTBZ-VXGBXAGGSA-N 300.380 -0.004 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CC[C@H](C(=O)O)[C@@H](C)C1)[C@@H]1CCCO1 861717076 WVCYDBCXOGLPRJ-CYDGBPFRSA-N 322.361 -0.147 30 20 DBED C=CCNC(=O)NC(=O)CN1CC(F)(F)C[C@H]1C(=O)OC 880333570 CXVXIPIRSPGODY-QMMMGPOBSA-N 305.281 -0.119 30 20 DBED C#CCO[C@H](C)C(=O)N(C)CC(=O)N1CCC[C@H](C(=O)O)C1 909434441 VJRVAUPWPMNPAU-NEPJUHHUSA-N 310.350 -0.194 30 20 DBED C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H]1CS(=O)(=O)C[C@@H]1OC 912395535 KIMYGHDWXBLCOZ-NOOOWODRSA-N 303.380 -0.104 30 20 DBED C#CCCS(=O)(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 917760164 PIQQHFUEMGPBOQ-WDEREUQCSA-N 318.395 -0.091 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)c3cn(C)nn3)C2)nc1 937901790 GTHNAXWSYXOGSM-LBPRGKRZSA-N 324.344 -0.164 30 20 DBED Cn1nnc(C(=O)N[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)n1 942191807 HQUSHMACHDLIHP-SECBINFHSA-N 314.309 -0.946 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@H](CNC(=O)c2cnnc(O)c2)C1 944634812 HBYSPMTVGKELFN-GXSJLCMTSA-N 319.321 -0.701 30 20 DBED C[C@H](C#N)C(=O)N1CCC(NC(=O)C[C@@H]2CC(=O)NC2=O)CC1 948109649 JLHDSBKGSWPYBV-NXEZZACHSA-N 320.349 -0.694 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)[C@@H]1CCCO1 949473502 RLYJCXRIOWVRGU-ILXRZTDVSA-N 319.405 -0.020 30 20 DBED CN1C[C@@H](C(=O)NC[C@H]2CCN2C(=O)C#CC2CC2)NC1=O 951470589 HSHXXMFGCLRMBX-NEPJUHHUSA-N 304.350 -0.860 30 20 DBED C[C@H](C#N)C(=O)N1[C@H]2CCC[C@H]1CN(C(=O)[C@H]1COC(=O)N1)C2 952706808 DMFADUHIFKESGZ-NOOOWODRSA-N 320.349 -0.154 30 20 DBED CN(C(=O)[C@@H]1CC[C@H]1C(N)=O)C1CN(C(=O)C#CC2CC2)C1 954954268 CBCDIASAHITQJM-CHWSQXEVSA-N 303.362 -0.420 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@](C)(NC(=O)c2c[nH]c(=O)cn2)C1 957446290 DWTJTFSNAOGOQP-XPTSAGLGSA-N 303.322 -0.350 30 20 DBED C=C(C)CCN1C[C@H](CNC(=O)c2c[nH]c(=O)cn2)[C@@H](O)C1 958355508 MDFCXDUXYXGPPF-AAEUAGOBSA-N 306.366 -0.241 30 20 DBED C=CCN1C[C@H](O)[C@H](CNC(=O)c2c(OC)ncnc2OC)C1 958759194 WCCWPVKJEOSUNY-MNOVXSKESA-N 322.365 -0.298 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CN(C(=O)[C@H]3COC(=O)N3)C[C@H]2C1 961490101 LBCATCHTARTMGC-CHWFTXMASA-N 306.322 -0.829 30 20 DBED O=C(N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O)c1cscn1 961882463 KNSIVTZIYDKOTF-PWSUYJOCSA-N 305.359 -0.142 30 20 DBED C=CCN1C[C@H]2C(NC(=O)Cc3c(C)nc(O)nc3O)[C@@H]2C1 962126100 DABBVDJUYYPXOS-GHMZBOCLSA-N 304.350 -0.029 30 20 DBED O=C(NC[C@@H]1COCCN1C(=O)C#CC1CC1)C1=COCCO1 964082544 PCODWQDAYCENCO-CYBMUJFWSA-N 320.345 -0.368 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](NCCN2C(=O)NC(C)(C)C2=O)C1 967730154 WLTXTGZVZVNFGE-WDEREUQCSA-N 321.381 -0.333 30 20 DBED C#CCN1CC[C@H](C)[C@H](NC(=O)CN2CCC(=O)NC2=O)C1 968513542 MOXISAGQYWLMBI-NWDGAFQWSA-N 306.366 -0.612 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2O)cn1 969351515 QXWHWRCYXKEEDY-CVEARBPZSA-N 323.352 -0.222 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)[C@]1(C)CNC(=O)C1 969410245 DERNJIFOXPHVHY-OVZMXSCWSA-N 318.377 -0.126 30 20 DBED C#CCN1CC([C@@H](C)NC(=O)[C@H]2CCc3nnnn3CC2)C1 970457659 MXWIWDBGZCTESN-NEPJUHHUSA-N 302.382 -0.305 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)[C@@H]3CCNC(=O)CC3)C2)C1 972480806 SSDVPKIAINFBFT-WMLDXEAASA-N 319.405 -0.161 30 20 DBED C#CCCN1C[C@H]2C(CNC(=O)[C@@H]3CCCN3C(N)=O)[C@@H]2C1 979111525 FFEDWAISDLFMIW-IHRRRGAJSA-N 304.394 -0.153 30 20 DBED C=C(C)CN[C@@H]1CCC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 981098498 KLEYQYKPQQMAKS-NEPJUHHUSA-N 320.397 -0.030 30 20 DBED C[C@H](C#N)C(=O)N1CCC2(CC1)C[C@@H](C)N(C(=O)C(N)=O)C2 982264500 YKRDXYFHIXMCPH-GHMZBOCLSA-N 306.366 -0.139 30 20 DBED C#CCOc1ncccc1C(=O)N1CC[C@@H](NC(C)=O)[C@@H](O)C1 991146529 DJOIDBBQIQOXEI-KGLIPLIRSA-N 317.345 -0.195 30 20 DBED O=C(Cc1cc[nH]n1)N[C@@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1O 991366781 UNDMZXWNDWFQKQ-KGLIPLIRSA-N 316.361 -0.556 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)CN2C(=O)CC(C)(C)C2=O)C1 991856667 HOAZINTYTJMMMU-VIFPVBQESA-N 320.349 -0.742 30 20 DBED CN(C(=O)Cn1nc2ccccn2c1=O)C1CC(NCC#N)C1 999203813 DOGRTPIQHCIFSV-UHFFFAOYSA-N 314.349 -0.401 30 20 DBED C[C@@H](C#N)C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cn1cnnn1 1001249759 LPJCDOBRICIUFA-ZDCRXTMVSA-N 303.326 -0.919 30 20 DBED N#Cc1ccc(C(=O)NCC2CN(C(=O)[C@@H]3CCNC3=O)C2)[nH]1 1001464778 ZDNLNGPADRHYME-LLVKDONJSA-N 315.333 -0.789 30 20 DBED COc1cnc(C(=O)NCC2CN(C(=O)[C@H](C)C#N)C2)nc1 1003408318 ZDDJZOOPFHWECX-SECBINFHSA-N 303.322 -0.167 30 20 DBED N#CCN1CCC(NC(=O)c2cc(=O)n3[nH]cnc3n2)CC1 1003963122 XWSWWWZLZZSFLE-UHFFFAOYSA-N 301.310 -0.865 30 20 DBED C[C@H]1CCN(C(=O)CC(N)=O)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 1004675179 VWAMLSMQUIWKDS-JOYOIKCWSA-N 317.349 -0.271 30 20 DBED O=C(C[C@@H]1COC(=O)C1)NC1[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]12 1012955026 AYUHDWHAJZITLB-YNEHKIRRSA-N 316.357 -0.074 30 20 DBED C=CCN1CC[C@@H](N[C@H]2CCN(C(=O)C(C)(C)C(N)=O)C2)C1=O 1018998266 XXBVLHUUSWHDKJ-NWDGAFQWSA-N 322.409 -0.525 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCN(C(=O)c3cnnn3C)C2)C1 1019362943 IYIVKDVCESNTAO-JTQLQIEISA-N 302.338 -0.351 30 20 DBED O=C(C#CC1CC1)N1C[C@@H](O)[C@H](NC(=O)C23CCN(CC2)C3)C1 1024787253 GROYWYQXEMQIDN-ZIAGYGMSSA-N 317.389 -0.817 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@H](CN[C@H]3CCNC3=O)C2)c1 1026759465 IKCFSNWTUMGHKY-PWSUYJOCSA-N 301.350 -0.173 30 20 DBED CN1C(=O)CN(CC(=O)N2C[C@@H]3CC[C@H](C2)N3CC#N)C1=O 1029551781 JXVDMQXRMWZGJL-PHIMTYICSA-N 305.338 -0.921 30 20 DBED C#CCN1CC(CNC(=O)c2ccc(OCC(N)=O)cc2)C1 1031824720 APWOZROIPVRHAR-UHFFFAOYSA-N 301.346 -0.155 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN([C@H]2CCN(C)C2=O)C1 1032827185 RTNMJWIBNFUKFA-KKUMJFAQSA-N 318.421 -0.495 30 20 DBED CN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CCN(Cc2nnnn2C)C1 1032991813 NNYGQNUMXGHOAF-LLVKDONJSA-N 314.353 -0.244 30 20 DBED C=C(Cl)CN1CCO[C@@H](CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 1035513842 IQHNJOPQYXIKHZ-AXFHLTTASA-N 301.774 -0.323 30 20 DBED C#CCN[C@@H]1CCN(C(=O)CCn2ncn(C)c2=O)C[C@@H]1C 1036115153 KTAUWJQAFYYWOK-QWHCGFSZSA-N 305.382 -0.568 30 20 DBED C=C(C)CN1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1cn(C)c(=O)nc1O 1037716110 LCJKPUIXXNSOEL-ADEWGFFLSA-N 304.350 -0.136 30 20 DBED CS(=O)(=O)CCN1CC[C@@H]1CNC(=O)c1cc(C#N)c[nH]1 1038155492 XOOIJVASRHWFKA-LLVKDONJSA-N 310.379 -0.265 30 20 DBED O=C(C#CC1CC1)NC[C@@]1(O)CCN(C(=O)[C@@]2(F)CCOC2)C1 1039684922 GFNHTTOMHFQVJN-JKSUJKDBSA-N 324.352 -0.392 30 20 DBED C=CCn1cc(C(=O)NC[C@@]2(O)CCN(C(=O)CC)C2)nn1 1039753560 SYIWFXQVMIALJN-AWEZNQCLSA-N 307.354 -0.433 30 20 DBED C#CCCN1[C@H]2CCC[C@H]1CN(C(=O)[C@@H]1CC(=O)NC(=O)N1)C2 1039934901 NQRISFMDFRUSBF-AVGNSLFASA-N 318.377 -0.327 30 20 DBED C=CCO[C@@H](C)C(=O)NC[C@]1(O)CCN(C(=O)c2ncc[nH]2)C1 1040161982 RRHYKEZZZRJTDJ-XHDPSFHLSA-N 322.365 -0.306 30 20 DBED N#Cc1cccnc1N1C[C@@H]2CCN(C(=O)Cn3cnnn3)[C@@H]2C1 1040513892 XFQUXGKYXHGBLI-QWHCGFSZSA-N 324.348 -0.323 30 20 DBED CC(=O)CCCC(=O)N1CC[C@](O)(CNC(=O)[C@H](C)C#N)C1 1040762382 HZXPHJQMRAHIAH-ABAIWWIYSA-N 309.366 -0.015 30 20 DBED O=C(CCn1cccn1)NCC1(O)CN(C(=O)C#CC2CC2)C1 1041539386 ANPRCZILYGQGOK-UHFFFAOYSA-N 316.361 -0.624 30 20 DBED Cc1ncoc1C(=O)N1CC(O)(CNC(=O)CSCC#N)C1 1041568453 KYJSFIFGBLUMRB-UHFFFAOYSA-N 324.362 -0.457 30 20 DBED C#Cc1cncc(C(=O)N2CC(O)(CNC(=O)[C@@H](C)OC)C2)c1 1041764429 OEHIIXMYLJWONZ-LLVKDONJSA-N 317.345 -0.599 30 20 DBED C[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1NC(=O)[C@H]1COC(=O)N1 1041893197 ZZRJMAAOAQRSSD-FBIMIBRVSA-N 316.321 -0.602 30 20 DBED C=CCCOCC(=O)N1CC(O)(CNC(=O)c2cncnc2)C1 1042712886 KDMZMBMOSUEGBR-UHFFFAOYSA-N 320.349 -0.628 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)C[C@@](C)(O)C=C)C1 1042807250 QQBVBQOYYROONR-HNNXBMFYSA-N 308.378 -0.194 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)[C@@H](CC)OC)C1 1043039015 BJFDZNLIOQWBGO-VXGBXAGGSA-N 312.366 -0.861 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)c2ccc(C)o2)C1 1043041602 JBQGWKUSXXHPPQ-GFCCVEGCSA-N 320.345 -0.071 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)C[C@@H]3CCCO3)C2)nn1 1043856822 XXEVBNSQOORKTF-XQQFMLRXSA-N 317.349 -0.417 30 20 DBED N#Cc1cnc(N2C[C@H](O)[C@H](NC(=O)C3=CCOCC3)C2)cn1 1043919163 ZAILWVHFBYSMMY-OLZOCXBDSA-N 315.333 -0.639 30 20 DBED N#Cc1nccnc1N1C[C@H](O)[C@H](NC(=O)[C@@]2(F)CCOC2)C1 1044426540 MFOOVKIASZYOQW-UHIISALHSA-N 321.312 -0.857 30 20 DBED CC[C@H](F)C(=O)NCC1(O)CN(C(=O)CSCC#N)C1 1044789632 PBNRCHJOFKVPRW-VIFPVBQESA-N 303.359 -0.319 30 20 DBED Cc1nnsc1C(=O)N1CC(O)(CNC(=O)[C@H](C)C#N)C1 1045540042 CQSOVJOYWJIBQT-SSDOTTSWSA-N 309.351 -0.691 30 20 DBED N#CCN1CCC2(CC1)CO[C@@H](CNC(=O)[C@H]1COCCO1)C2 1045660289 INGUKPHPULZZGL-ZIAGYGMSSA-N 323.393 -0.087 30 20 DBED C#CCN1CC[C@@H](N2CCN(C(=O)c3cnnc(O)c3)CC2)C1 1046037081 LRWJLPQWKSIMRM-CQSZACIVSA-N 315.377 -0.353 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)C2(CC)CC2)C1 1046150029 WYYUVJKDEWOSHT-UHFFFAOYSA-N 308.378 -0.094 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1C[C@@H](CNC(=O)[C@@H]2CCNC2=O)C1 1046529727 RQYDPTXRIORTMV-KGYLQXTDSA-N 313.361 -0.182 30 20 DBED C#CCN1C[C@H]2C[C@H](NC(=O)C3CC(=O)NC(=O)C3)C[C@H]1C2 1047161672 PMIZXDHRYJYEMG-WCFLWFBJSA-N 303.362 -0.359 30 20 DBED C#CCN1C[C@H]2C[C@H](NC(=O)CN3C(=O)CNC3=O)C[C@H]1C2 1047198191 WFYBVWLIRFCBMK-SDDRHHMPSA-N 304.350 -0.860 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cn(CCOC)nc2C)C1 1047380580 PVFLMEDEUCTQKS-GJZGRUSLSA-N 320.393 -0.412 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3n2CCC3)C1 1047415278 QQOXHZYBQUFOEH-KBPBESRZSA-N 302.378 -0.030 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cnccc2N(C)C)C1 1047600682 VLENLQPSIHXPPF-GJZGRUSLSA-N 302.378 -0.102 30 20 DBED CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1nnc(O)nc1O 1049573851 XFOAFOLKSXELBA-GHMZBOCLSA-N 317.349 -0.015 30 20 DBED C=C(C)CCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cc2nc[nH]n2)C1 1049595209 SXEGAZDXZGBREA-RYUDHWBXSA-N 321.381 -0.266 30 20 DBED C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)Cn1c(O)nnc1O 1049868801 XWJNWLIOHZVKIJ-MNOVXSKESA-N 307.354 -0.059 30 20 DBED C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1cn(CC(N)=O)nn1 1049918578 LYTBYNGWJGOCTH-CHWSQXEVSA-N 318.381 -0.372 30 20 DBED C=CCCC(=O)N[C@H](C)[C@H]1CCN(C(=O)Cn2cnnn2)C1 1049968561 NCRBMHDNPXHBCO-NEPJUHHUSA-N 306.370 -0.008 30 20 DBED CC#CCN1CCOC[C@@H]1CNC(=O)[C@H]1CCCCC(=O)N1 1051109086 COVMBLVYCNIENJ-UONOGXRCSA-N 307.394 -0.115 30 20 DBED Cn1cc([C@@H]2C[C@H]2C(=O)NC[C@H]2COCCN2CC#N)cn1 1051126624 HDRDQXRDHUDQSX-MELADBBJSA-N 303.366 -0.136 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)[C@H]1CC(=O)N(CCC)C1 1051137159 LCXUJITUBOETSU-KBPBESRZSA-N 307.394 -0.305 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)c3cc4n(n3)CCO4)CO2)C1 1053830919 PCZPQHPKKWDXHO-SNVBAGLBSA-N 303.322 -0.628 30 20 DBED CC(C)C#CC(=O)N[C@]1(CO)CCCN(C(=O)c2cnon2)C1 1055933702 SQYYETOQWHODRA-OAHLLOKOSA-N 320.349 -0.188 30 20 DBED CN1C[C@@H](C(=O)N2CCN(c3nccnc3C#N)CC2)NC1=O 1055974414 DSZOTZQTPDRPGI-NSHDSACASA-N 315.337 -0.980 30 20 DBED N#Cc1nccc(N2C[C@@H]3C(NC(=O)c4c[nH]c(=O)cn4)[C@H]3C2)n1 1056391162 YYSOYJKLPPHWFY-IUCAKERBSA-N 323.316 -0.704 30 20 DBED Cn1ncc(C(=O)N2CCCN(c3ccnc(C#N)n3)CC2)n1 1057154845 WWELFRZIZYOIIC-UHFFFAOYSA-N 312.337 -0.171 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)[C@@H]1CCCOC1 1057193833 QENZBSBJQFCTJE-CYBMUJFWSA-N 314.382 -0.447 30 20 DBED COCCC(=O)NCCN(CCO)C(=O)c1ccc(C#N)[nH]1 1057369511 XYTARIKFIKFKEG-UHFFFAOYSA-N 308.338 -0.526 30 20 DBED C#CCOCCC(=O)N(CCO)CCNC(=O)c1[nH]cnc1C 1057583350 NYRDKBVSLTXPBV-UHFFFAOYSA-N 322.365 -0.691 30 20 DBED C=C(C)[C@@H](CC(=O)N(CCO)CCNC(=O)COC)OCC 1057813182 CJLOQYFQOLVVHU-CYBMUJFWSA-N 316.398 -0.059 30 20 DBED C[C@H](C(=O)N[C@H]1CCN(c2cncc(C#N)n2)C1)n1cncn1 1058319246 PYYLIULRZDPXCN-MNOVXSKESA-N 312.337 -0.104 30 20 DBED N#Cc1nccnc1N[C@H]1C[C@H](NC(=O)[C@H]2CCC(=O)N2)C1 1059170580 HCJLVHCOVTTXCP-OPRDCNLKSA-N 300.322 -0.314 30 20 DBED C#CCO[C@@H](C)C(=O)NCC[C@H]1CCN(C(=O)CC(=O)NC)C1 1059526284 ODPGAYBYLKQTQW-STQMWFEESA-N 323.393 -0.484 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](CCNC(=O)C2(NC(N)=O)CC2)C1 1060289519 ORKAVDRYFOFOIZ-QWRGUYRKSA-N 321.381 -0.298 30 20 DBED CO[C@H](C)C(=O)NC[C@H]1COCCN1C(=O)c1cc(C#N)c[nH]1 1061368320 ZLRSAAXTQOSNHY-PWSUYJOCSA-N 320.349 -0.122 30 20 DBED C#CCOCCC(=O)N1CCOC[C@H]1CNC(=O)[C@H]1CCOC1 1061385782 BILPYWPLMAFIHR-UONOGXRCSA-N 324.377 -0.594 30 20 DBED C=CCOCC(=O)N1CCOC[C@H]1CNC(=O)COC(C)C 1061390403 WUIXSOJLMNHNTF-CYBMUJFWSA-N 314.382 -0.042 30 20 DBED O=C(C#CC1CC1)NC[C@H]1COCCN1C(=O)Cn1cccn1 1061569277 BUVNTJUSWXJSHZ-AWEZNQCLSA-N 316.361 -0.360 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H]1COCCN1C(=O)c1ncc[nH]1 1061585447 WVIPSUSQQSUEFR-VXGBXAGGSA-N 320.349 -0.595 30 20 DBED C=CCCCC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1CCNC1=O 1061747978 CYOBCQFOWFZMQI-QWHCGFSZSA-N 323.393 -0.178 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)CNC(=O)C1CC1 1061845549 IYZLGUCROQWUAR-PWSUYJOCSA-N 322.365 -0.984 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)Cc1cnn(C)c1 1061845598 JNPCHUCXBLAFLT-AAEUAGOBSA-N 319.365 -0.534 30 20 DBED Cc1cnn(CC(=O)N2CCOC[C@H]2CNC(=O)[C@H](C)C#N)c1 1061847633 UREISZRPFADSPU-CHWSQXEVSA-N 319.365 -0.305 30 20 DBED CCN(C)CCC(=O)NC[C@@H]1COCCN1C(=O)[C@H](C)C#N 1061899505 ZKGYGIVLZHAIKO-CHWSQXEVSA-N 310.398 -0.169 30 20 DBED C=CCOCC(=O)NC1(CNC(=O)[C@@H](C)NC(C)=O)CCC1 1062461581 WJAHRENHBMSBRN-LLVKDONJSA-N 311.382 -0.131 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(NC(=O)c2nc[nH]n2)CCC1 1062867113 XUAGTGXGHKHDFL-ZDUSSCGKSA-N 307.354 -0.100 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCO[C@@H](CNC(=O)c2cn[nH]c2)C1 1065151805 DLIXMWMATTUIQV-AAEUAGOBSA-N 320.349 -0.595 30 20 DBED C=C[C@H](CC)CC(=O)N1CCO[C@@H](CNC(=O)CC(N)=O)C1 1065490903 PMTZCDZMDXGSDW-NEPJUHHUSA-N 311.382 -0.192 30 20 DBED C=CCO[C@@H](C)C(=O)NC[C@H]1CN(C(=O)c2cnon2)CCO1 1065509969 JRZVGMCPPBCBHK-QWRGUYRKSA-N 324.337 -0.382 30 20 DBED CN(C(=O)c1cocn1)[C@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1065577400 OFRIWUQGBPSVAB-RYUDHWBXSA-N 314.305 -0.342 30 20 DBED C#CCCCC(=O)N(C)CCCN(C)C(=O)[C@H]1CNC(=O)N1 1067287061 MQRIDRMLSDITDB-GFCCVEGCSA-N 308.382 -0.222 30 20 DBED N#CCSCC(=O)N1CCOC2(C1)CN(C(=O)C(F)F)C2 1068314422 MZSQCUMBWAIOPN-UHFFFAOYSA-N 319.333 -0.052 30 20 DBED COCC(=O)N[C@@H]1COC2(C1)CN(C(=O)c1ccc(C#N)[nH]1)C2 1068653155 ZQNTZVPZHABBQY-NSHDSACASA-N 318.333 -0.368 30 20 DBED CC(=O)NCC(=O)N[C@@H]1COC2(C1)CN(C(=O)C#CC(C)C)C2 1068666284 NLBODEONDHLQHW-ZDUSSCGKSA-N 321.377 -0.732 30 20 DBED Cc1cc(=N[C@H]2CCN(C(=O)CC(N)=O)[C@@H]2C)c(C#N)c[nH]1 1068807949 UNWASEORDISFLS-PWSUYJOCSA-N 301.350 -0.040 30 20 DBED CN(C(=O)Cn1ncnn1)C1CC(Nc2ccc(C#N)nn2)C1 1069773920 GXQSVECCDOJSCE-UHFFFAOYSA-N 313.325 -0.564 30 20 DBED C=C1CC(C)(C(=O)NCC2(NC(=O)CC(N)=O)CCOCC2)C1 1070048666 BZUQZXWIZZYDQV-UHFFFAOYSA-N 323.393 0.000 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)[C@H]2C[C@H]2C(N)=O)CCOCC1 1070232048 BFFXITOXFZAVAF-MXWKQRLJSA-N 322.365 -0.951 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCC[C@@H](NC(=O)c2cn(C)nn2)C1 1070667645 MQKGIJAZFAQRKR-IAQYHMDHSA-N 321.381 -0.137 30 20 DBED C=CCO[C@H](C)C(=O)N1CCC[C@@H](NC(=O)CNC(N)=O)C1 1070902507 JNENPCBTOLSBDB-GHMZBOCLSA-N 312.370 -0.647 30 20 DBED C=CCOCC(=O)N1C[C@@H](C)[C@@H](NC(=O)CNC(=O)CC)C1 1071808571 IZGQJQJVQPRONY-NEPJUHHUSA-N 311.382 -0.322 30 20 DBED N#CCN1CCO[C@@H]2CCN(C(=O)CCN3CCOCC3)C[C@H]21 1074360671 PFIQVGMHLSOSAA-HUUCEWRRSA-N 322.409 -0.466 30 20 DBED C=CCOCC(=O)NCC1(O)CCN(C(=O)C(F)F)CC1 1074391384 GLCQBEMTFFXOSE-UHFFFAOYSA-N 306.309 -0.076 30 20 DBED CC#CCN1C[C@@H]2CCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)[C@@H]2C1 1076300022 VDBUESUHTWMDQT-SDDRHHMPSA-N 304.350 -0.860 30 20 DBED C=C[C@](C)(CCOC)C(=O)N1CC(N(CC)C(=O)C(N)=O)C1 1080408825 VEBYXTBULHDYHR-OAHLLOKOSA-N 311.382 -0.240 30 20 DBED CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)c2cc(C(N)=O)c[nH]2)C1 1080414778 SKQKQFLUXBMUQK-VIFPVBQESA-N 317.349 -0.054 30 20 DBED C=CCCn1cc(C(=O)NC2(CO)CCN(C(C)=O)CC2)nn1 1080873287 JJWQPFQODNFVML-UHFFFAOYSA-N 321.381 -0.043 30 20 DBED C=C(C)CN1C[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)[C@H](C)C1 1080907993 QBIUPMTWQRPDJZ-VXGBXAGGSA-N 308.382 -0.107 30 20 DBED CCC(=O)NCC(=O)N1CCC(CO)(NC(=O)[C@@H](C)C#N)CC1 1080979804 BECFZANSBHGHES-NSHDSACASA-N 324.381 -0.858 30 20 DBED CC(C)(F)C(=O)NC[C@@H]1CN(C(=O)CSCC#N)C[C@@H]1O 1081170454 YYTBYNJLNJBACX-ZJUUUORDSA-N 317.386 -0.073 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)Cc2nc[nH]n2)C[C@@H]1O 1081335693 NYVSXWIAYWQXJH-QWRGUYRKSA-N 307.354 -0.751 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)C2=COCCC2)C[C@H]1O 1081345788 AEOXBZDFQIMFEM-UONOGXRCSA-N 324.377 -0.181 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(C(=O)c2ccon2)C[C@@H]1O 1081468660 MQCBNDFILPLMFM-YPMHNXCESA-N 303.318 -0.363 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CCN(C)C(=O)C1 1083123840 WAANXIDDMXMGRI-SOUVJXGZSA-N 319.405 -0.210 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)[C@H]2COCCN2C)C1 1083416809 VAIUOBOTLGSWGR-UTUOFQBUSA-N 303.790 -0.769 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN(CC(=O)NC3CC3)C[C@@H]2O)C1 1083763093 XLWOWWKPPKUETN-OLZOCXBDSA-N 307.394 -0.217 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)C(=O)N2CC[C@@H](C)C2)C1 1083932981 TYSHOJSLROMHNQ-JLLWLGSASA-N 315.801 -0.231 30 20 DBED N#CCN[C@H]1C[C@@H](CNC(=O)[C@]23C[C@H]4C[C@@H](C(=O)N2)[C@H]3C4)C1 1086130277 MGYJVOUQNLQLIR-SAXFHOJMSA-N 302.378 -0.091 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2C[C@@H](N[C@@H](C)C(N)=O)C2)nn1 1086218923 CTSRXEHRJAHBIL-GARJFASQSA-N 306.370 -0.564 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1O 1090445304 HKXOVTQVIKORSI-RAIGVLPGSA-N 317.349 -0.395 30 20 DBED C=CCN1CC[C@@H](NC(=O)c2ccnc3c2nnn3C)[C@H](O)C1 1090522182 HIILDXMIDKPOHG-VXGBXAGGSA-N 316.365 -0.286 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2cccc(=O)n2C)[C@@H](O)C1 1090553790 RJAJGMVYKIRSBS-OCCSQVGLSA-N 303.362 -0.426 30 20 DBED N#Cc1cnc(N[C@H]2C[C@@H](CNC(=O)C3(C(N)=O)CC3)C2)cn1 1091395725 SPTHYEJAUWLTFW-AOOOYVTPSA-N 314.349 -0.080 30 20 DBED C=CCN1C[C@@H]2CN(C(=O)[C@@H]3CCS(=O)(=O)N3)C[C@]2(C)C1 1092282380 QVVSKESMJZRTBC-DYEKYZERSA-N 313.423 -0.356 30 20 DBED Cc1nc(NCCNC(=O)Cn2cnnc2O)ccc1C#N 1093558692 KMQXZXFAJZUESM-UHFFFAOYSA-N 301.310 -0.213 30 20 DBED CNC(=O)NCCC(=O)NCCNc1nc(C)cc(C#N)n1 1093591366 VMCZOLWQSCLAPW-UHFFFAOYSA-N 305.342 -0.496 30 20 DBED CO[C@H](C(=O)NCCN=c1cc[nH]c(C#N)n1)c1cnn(C)c1 1094011213 BVAOVKIVFMCLNR-ZDUSSCGKSA-N 315.337 -0.581 30 20 DBED C[C@@H]1CN(C)C[C@H]1C(=O)NCc1cn(C2CN(CC#N)C2)nn1 1094315921 CULKSGHXHAIPKU-BXUZGUMPSA-N 317.397 -0.528 30 20 DBED N#CCN1CC(N2C[C@@H](NC(=O)c3cnccn3)CC2=O)C1 1094698116 VOXAWJGWJWFLNO-JTQLQIEISA-N 300.322 -0.985 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)c3cnc(C)[nH]3)CC2=O)C1 1094715457 MTVXEJUDCNAAKK-NSHDSACASA-N 303.366 -0.081 30 20 DBED C[C@H](CC(N)=O)C(=O)N1CC[C@@H](N(C)c2ccnc(C#N)n2)C1 1095150002 KXTCKLQNPRTCDG-GHMZBOCLSA-N 316.365 -0.103 30 20 DBED C[C@H](NC(N)=O)C(=O)N1CCC(N=c2cc[nH]c(C#N)n2)CC1 1095225530 WIJFCGFSQPNPRI-VIFPVBQESA-N 317.353 -0.770 30 20 DBED CNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cc(C#N)c[nH]1 1095281773 FMQHTLLGYHZKPK-MDZLAQPJSA-N 301.350 -0.033 30 20 DBED CN(CCCNC(=O)CNC(N)=O)c1ncc(C#N)cc1F 1095468862 HLTCFBCHKAPKJE-UHFFFAOYSA-N 308.317 -0.297 30 20 DBED CN1C[C@@H](C(=O)NCCCN(C)c2ccc(C#N)nn2)CC1=O 1095761986 VPQOYLFMIPIYSZ-NSHDSACASA-N 316.365 -0.231 30 20 DBED CC(=O)NCC(=O)N[C@H]1CCCN(c2cncc(C#N)n2)C1 1096133132 PTTUTUPJXVOTGD-NSHDSACASA-N 302.338 -0.431 30 20 DBED C[C@H](CNC(=O)CCCn1ccnn1)N=c1cc[nH]c(C#N)n1 1098094445 FXESVAWYGWRGLG-LLVKDONJSA-N 314.353 -0.241 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1C)Nc1cncc(C#N)n1 1098200484 XRJAEIITBIMUQU-ONGXEEELSA-N 302.338 -0.114 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CCN(C)C(=O)C1)N=c1cc[nH]c(C#N)n1 1098386014 SBIOHFCYRYWKDO-WDEREUQCSA-N 316.365 -0.445 30 20 DBED CN1CC[C@H](C(=O)N2CC[C@@H](n3cc(CNCC#N)nn3)C2)C1 1098780388 UQUQSSIJYKHMSY-GXTWGEPZSA-N 317.397 -0.384 30 20 DBED C[C@H](CCNC(=O)[C@H]1CCNC1=O)Nc1ccc(C#N)nn1 1099617141 QUKSPNKUXOGGBT-MWLCHTKSSA-N 302.338 -0.209 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2snnc2C)[C@@H](O)C1 1099651058 OSHBCEVMMIOZGQ-NEPJUHHUSA-N 324.406 -0.339 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)c2cscn2)[C@H](O)C1 1099716631 YJDYNSOIEMDBDJ-CMPLNLGQSA-N 322.390 -0.943 30 20 DBED N#CCN1CC[C@@H](NC(=O)CCn2ccccc2=O)[C@@H](O)C1 1099857723 AXCREXOMJJTLAV-OLZOCXBDSA-N 304.350 -0.687 30 20 DBED CN(CCNC(=O)[C@@H]1COCCN1C)c1ncc(C#N)cc1F 1100028293 NMKZZEQXSAXWEN-ZDUSSCGKSA-N 321.356 -0.025 30 20 DBED C=CCN1CC[C@@H](NC(=O)COCc2nncn2C)[C@H](O)C1 1100057397 FNFYZSQQRZVPMV-VXGBXAGGSA-N 309.370 -0.931 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)Cc2cc(C)on2)C1 1100201410 JPLRNFNVKUFNQO-UHFFFAOYSA-N 318.377 -0.241 30 20 DBED C#CCNC(=O)[C@H](C)NC1CC(CNC(=O)Cc2ccon2)C1 1100209218 ZUCUFCUCAZNFNK-DCBWTQNWSA-N 318.377 -0.161 30 20 DBED Cc1nc(N(C)CCNC(=O)[C@H]2CNC(=O)N2)ccc1C#N 1100308682 NDIIVBOGJZDCOV-LLVKDONJSA-N 302.338 -0.505 30 20 DBED CN(CCNC(=O)c1cccc(=O)n1C)c1ccnc(C#N)n1 1100318765 DMFXTSNETDFQKX-UHFFFAOYSA-N 312.333 -0.087 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CC(CNC(=O)CC(=O)N(C)C)C1 1100741358 UEYSBGHIBSQNDH-PNESKVBLSA-N 322.409 -0.913 30 20 DBED C#CCN1C[C@@H]2CN(C(=O)COCc3nncn3C)C[C@]2(C)C1 1101412698 YRTDTVOLJVPZJS-CJNGLKHVSA-N 317.393 -0.255 30 20 DBED Cc1c(CC(=O)N(C)CCN=c2cc[nH]c(C#N)n2)cnn1C 1101807047 ORLRKXCIILTWBW-UHFFFAOYSA-N 313.365 -0.075 30 20 DBED CC(=O)N[C@@H](C)C(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(C#N)n1 1102538218 POLCUWFSTSMIJC-DLOVCJGASA-N 314.349 -0.338 30 20 DBED COC[C@H](C)C(=O)NC[C@@H]1CN(c2cncc(C#N)n2)CCO1 1104310101 OGAKXZNXQTYJOQ-WCQYABFASA-N 319.365 -0.048 30 20 DBED C[C@H](CNc1cnc(C#N)cn1)N(C)C(=O)CS(C)(=O)=O 1104497680 JDCFIYZEUNERKT-SECBINFHSA-N 311.367 -0.348 30 20 DBED CCOCCNCc1cn(C2CN(C(=O)[C@@H](C)C#N)C2)nn1 1105189676 JOJYIYQCEYHCGN-NSHDSACASA-N 306.370 -0.053 30 20 DBED C#CCNCc1cn(C2CN(C(=O)Cc3cnoc3)C2)nn1 1105310123 PTQAKVVXODLHKZ-UHFFFAOYSA-N 300.322 -0.385 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H](O)CNC(=O)C[C@@H]1CCCO1 1105718706 PEAQJZDUQKQDCJ-STQMWFEESA-N 304.350 -0.167 30 20 DBED N#Cc1cccnc1NC[C@@H](O)CNC(=O)CN1CCCC1 1105855759 KUPQCLSNHVPBMK-ZDUSSCGKSA-N 303.366 -0.062 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)COCC2CC2)C[C@H]1C 1105866046 UCDLWSIZWVQWDY-UKRRQHHQSA-N 321.421 -0.154 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)COCC(F)F)nn1 1106032162 MODHZHHQWCFXOE-VIFPVBQESA-N 315.280 -0.481 30 20 DBED C[C@@H]1CCO[C@@H]1C(=O)NC[C@H](O)CNc1nccnc1C#N 1106121569 CFKKGUWDQQKDLF-FOGDFJRCSA-N 305.338 -0.338 30 20 DBED N#Cc1nccnc1NC[C@@H](O)CNC(=O)Cc1cnc[nH]1 1106130904 ZVFSWEUGLVVMPP-JTQLQIEISA-N 301.310 -0.797 30 20 DBED CN1C[C@H](C(=O)NC[C@@H](O)CNc2ncccc2C#N)CC1=O 1106143848 KLPWWVJLLJVMNF-NEPJUHHUSA-N 317.349 -0.679 30 20 DBED C=CCOCCNC[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1C 1106545573 AMVBJOFMCDVXDI-VXGBXAGGSA-N 308.386 -0.290 30 20 DBED CC(=O)N[C@@H](C)C(=O)NC/C=C\CNc1cncc(C#N)n1 1107021121 MWLPRPKKASPDSK-XOULXFPDSA-N 302.338 -0.043 30 20 DBED C[C@@H](CC(N)=O)C(=O)NC/C=C\CNc1ccc(C#N)nn1 1107451505 LNSWHKOSPYKJAR-ZMWSMAPVSA-N 302.338 -0.056 30 20 DBED C[C@H](CNc1cncc(C#N)n1)NC(=O)C[C@@H]1CCC(=O)N1 1107838727 IUYKVEFLIBJXCH-ZJUUUORDSA-N 302.338 -0.066 30 20 DBED C[C@H](CNc1cnc(C#N)cn1)NC(=O)C(=O)NCC1CC1 1107905650 BSMCKSPTIZEABU-SECBINFHSA-N 302.338 -0.209 30 20 DBED C[C@H](CN=c1cc[nH]cc1C#N)NC(=O)[C@]1(C)CCNC1=O 1108106030 XZBBXWKXUANPMQ-MEBBXXQBSA-N 301.350 -0.182 30 20 DBED Cc1cc(=NC[C@H](C)NC(=O)[C@@H]2CCNC2=O)c(C#N)c[nH]1 1108634986 DHLKJKQOWWALFP-CMPLNLGQSA-N 301.350 -0.264 30 20 DBED C[C@H](CN(C)c1nccnc1C#N)NC(=O)[C@@H]1CN(C)C(=O)N1 1109194040 MKZBMCNAMQJKHU-KOLCDFICSA-N 317.353 -0.687 30 20 DBED C[C@H](CN(C)c1cnc(C#N)cn1)NC(=O)c1c[nH]c(=O)cn1 1109230667 GYMIWBCMGYTBHZ-SECBINFHSA-N 313.321 -0.314 30 20 DBED C[C@H](CN(C)c1cnc(C#N)cn1)NC(=O)[C@]1(C)CCNC1=O 1109235438 DHHUYCAOVQZITG-MEBBXXQBSA-N 316.365 -0.185 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C[C@@H](C)NC(N)=O 1110562512 RYXMEKKOERELRX-SYQHCUMBSA-N 322.409 -0.195 30 20 DBED C[C@@]1(NC(=O)CS(C)(=O)=O)CCN(c2ccc(C#N)nn2)C1 1110718503 IXAYZVHMQCDVIU-CYBMUJFWSA-N 323.378 -0.522 30 20 DBED N#Cc1cnc(N2CC[C@@](O)(CNC(=O)[C@@H]3CCOC3)C2)cn1 1111043535 HESANHQVYSKQOL-IAQYHMDHSA-N 317.349 -0.558 30 20 DBED CCS(=O)(=O)N(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC#N 1111209962 QQMNBTZYZKXKKR-UTUOFQBUSA-N 314.411 -0.487 30 20 DBED COCC(=O)N[C@]1(CO)CCCN(c2ccnc(C#N)n2)C1 1111335977 DZVBTIABNZUIGH-CQSZACIVSA-N 305.338 -0.558 30 20 DBED C#CCNC[C@]12CCC[C@H]1CN(C(=O)CN1CCNC(=O)C1)C2 1112506747 CTZFZODWBZLQCB-YOEHRIQHSA-N 318.421 -0.730 30 20 DBED C[C@H](NC(N)=O)C(=O)NC1CC(CN=c2cc[nH]cc2C#N)C1 1112834916 IIRPGGVWXBSYKW-BMQDGWLCSA-N 316.365 -0.261 30 20 DBED C=CCOCCN1CCN(C(=O)[C@@H]2CCCN2C(N)=O)CC1 1113728711 FNJUMHQLFQHYKT-ZDUSSCGKSA-N 310.398 -0.124 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)c3cccc(O)n3)[C@H]2C1 1114101341 NIGWQAFLIUUTFY-QWRGUYRKSA-N 316.361 -0.251 30 20 DBED CCC[C@H](C(=O)NC1[C@H]2CN(CC#N)C[C@H]12)S(N)(=O)=O 1114621350 IHMDOMRIRWFOFO-LPEHRKFASA-N 300.384 -0.986 30 20 DBED C[C@@H](CCCN=c1cc[nH]c(C#N)n1)NC(=O)[C@@H]1COC(=O)N1 1114900091 GWWHBEYIUIGLSY-UWVGGRQHSA-N 318.337 -0.425 30 20 DBED C=CCOCCN1C[C@H]2[C@H](NC(=O)C3(C(=O)NC)CC3)[C@H]2C1 1114972907 RWGYZWHCPFBBRM-ITGUQSILSA-N 307.394 -0.238 30 20 DBED C=CCOCCN1C[C@H]2[C@H](NC(=O)CCn3cnnn3)[C@H]2C1 1115018605 VHEMNGZWHNPUQE-IMRBUKKESA-N 306.370 -0.688 30 20 DBED C[C@]1(C(=O)NC2[C@H]3CN(CC(=O)NCC#N)C[C@H]23)CCCOC1 1115022611 DSLBYSUGBXXHPO-MKBNYLNASA-N 320.393 -0.511 30 20 DBED CN(CCOCCNC(=O)CC(N)=O)c1ncc(C#N)cc1F 1115200297 XEZDAXGZDCBIFY-UHFFFAOYSA-N 323.328 -0.463 30 20 DBED CN(CCOCCNC(=O)CC(N)=O)c1ccc(C#N)nc1 1115200340 YPUDYMIGIXTQQF-UHFFFAOYSA-N 305.338 -0.602 30 20 DBED C=CCCCN1C[C@@H]2C(NC(=O)CS(=O)(=O)NC)[C@H]2C1 1115253403 AKBANIUVMJEFIN-QWRGUYRKSA-N 301.412 -0.452 30 20 DBED CN(CCOCCNC(=O)c1cnn[nH]1)c1cncc(C#N)n1 1115268678 BSAPZDBUSOEOST-UHFFFAOYSA-N 316.325 -0.651 30 20 DBED C=CCCOCC(=O)NC1[C@@H]2CN([C@@H]3CCCNC3=O)C[C@@H]12 1115326797 SZVITVQWTMOXSH-JHJVBQTASA-N 307.394 -0.096 30 20 DBED Cc1cc(C#N)nc(N[C@H](C)CN(C)C(=O)Cn2cnnn2)n1 1115606097 VQCMXZHIXBYIAG-SNVBAGLBSA-N 315.341 -0.398 30 20 DBED C=C(Cl)CNC(=O)C(=O)Nc1cc(C)n(CC(=O)NC)n1 1116434716 NNKIFTLOJAVTPG-UHFFFAOYSA-N 313.745 -0.255 30 20 DBED C[C@@H](OC(=O)COCc1nncn1C)C(=O)NC1(C#N)CCC1 1117709090 SVQWWYYLDGRUKX-SNVBAGLBSA-N 321.337 -0.174 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)NC1CCN(C(C)=O)CC1 1119060653 QNFNXFJDMBOBNR-CYBMUJFWSA-N 323.393 -0.342 30 20 DBED CC(C)SCC(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1 1121078626 DFWMHKYRHZQBSN-SNVBAGLBSA-N 309.395 -0.199 30 20 DBED N#CCSCC(=O)NC[C@H](CO)Nc1ncnc2[nH]cnc12 1121079503 RBHXSTRJCZTRBZ-MRVPVSSYSA-N 321.366 -0.501 30 20 DBED Cc1c[nH]nc1C(=O)NC[C@@H](CO)Nc1cnc(C#N)cn1 1121527791 FBXMNYYHZIOVEE-JTQLQIEISA-N 301.310 -0.417 30 20 DBED C=CCCOCC(=O)NC[C@H](CO)Nc1ccc(C#N)nn1 1121749059 LJIIUUIQHAKOOJ-GFCCVEGCSA-N 305.338 -0.170 30 20 DBED CCn1cc(C(=O)NC[C@H](CO)Nc2cncc(C#N)n2)nn1 1121928495 OUTFSSSYKILCDU-SNVBAGLBSA-N 316.325 -0.838 30 20 DBED Cc1cnoc1C(=O)NC[C@@H](CO)Nc1nccnc1C#N 1122004328 TWMRFHACJSGGAB-VIFPVBQESA-N 302.294 -0.153 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H](CO)Nc1nccc(OC)n1 1122034774 DNZOYVMWKYBEGJ-QWRGUYRKSA-N 308.338 -0.588 30 20 DBED Cc1cc(C#N)nc(N[C@H](CO)CNC(=O)CCCN(C)C)n1 1122416900 PKFKFQXRHKGMRI-ZDUSSCGKSA-N 320.397 -0.113 30 20 DBED COC[C@@H](C)C(=O)N(C)C[C@H](O)CN=c1cc[nH]c(C#N)n1 1124197559 YMGUGVUOTHROOE-GHMZBOCLSA-N 307.354 -0.716 30 20 DBED CN(C[C@H](O)CNc1cncc(C#N)n1)C(=O)[C@H]1CCCN1C 1124206781 DHMMFOLGWWJJLE-CHWSQXEVSA-N 318.381 -0.326 30 20 DBED C=C[C@](C)(O)CC(=O)NCCNC[C@H]1CCS(=O)(=O)C1 1126365771 NHVIUZWBXUJPMA-YPMHNXCESA-N 304.412 -0.546 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)Cc2ccnn2C)C1=O 1126397913 MZAYGAMWBPZZOR-CYBMUJFWSA-N 305.382 -0.545 30 20 DBED C#CCOCCC(=O)NCCNCc1cc(=O)c(OC)co1 1127023481 MZSVKUJWYUPSAD-UHFFFAOYSA-N 308.334 -0.106 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(CCOC)C[C@@H]1n1ccnn1 1129482390 VMICWLWGTQQFAJ-MCIONIFRSA-N 323.397 -0.143 30 20 DBED C#CCNC(=O)CN1CC[C@H](c2n[nH]cc2CNC(C)=O)C1 1130326920 ZUEDBMFELYWQRJ-LBPRGKRZSA-N 303.366 -0.416 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)[C@H]1CO[C@@H](C)C1 1130504474 OJHYAVFKLDSTNP-WDEREUQCSA-N 312.370 -0.871 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)[C@H](COC)OC)C[C@@]3(C1)O2 1131264279 MAOBNKUVNFJYKB-HGTKMLMNSA-N 308.378 -0.417 30 20 DBED C[C@H]1CN(C(=O)C(=O)NCC2CC2)C[C@]2(CCN(CC#N)C2)O1 1131691971 BXRDLWMJISXKQE-BLLLJJGKSA-N 320.393 -0.272 30 20 DBED C[C@H]1CN(C(=O)CCCC(N)=O)C[C@@]2(CCN(CC#N)C2)O1 1131703467 BZGJKAZLJGWLTM-WFASDCNBSA-N 308.382 -0.143 30 20 DBED CC#CCN1C[C@@H](NC(=O)CCS(=O)(=O)NC)CC[C@H]1C 1132037940 LDNOIAKEVUOLFF-OLZOCXBDSA-N 315.439 -0.082 30 20 DBED C=C(C)CN(CC)C(=O)CNCCNC(=O)[C@@H]1CCNC1=O 1132358377 CNNCCWFTQMSRHU-GFCCVEGCSA-N 310.398 -0.747 30 20 DBED CN1C[C@@H](C(=O)NCCNCc2ccccc2C#N)NC1=O 1132386758 KEASIIACYRTZTL-ZDUSSCGKSA-N 301.350 -0.212 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2ccn(C)n2)CC[C@@H]1C 1132482687 YFRDOZTVGUZUFB-STQMWFEESA-N 317.393 -0.248 30 20 DBED Cn1nnc(C(=O)NCCNCC#Cc2ccc(F)cc2)n1 1132523434 JAQARIOQAUHROP-UHFFFAOYSA-N 302.313 -0.280 30 20 DBED C#CCNC[C@@H]1CN(C(=O)CN2CCC(=O)NC2=O)CC[C@@H]1C 1133234582 TXEHHQFUKGWSMX-QWHCGFSZSA-N 320.393 -0.364 30 20 DBED CN(C)C(=O)CN1CCCO[C@H](CNC(=O)C#CC2CC2)C1 1149694631 QRQNWUQDWAUEFS-CQSZACIVSA-N 307.394 -0.305 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)CN2CCCCC2=O)C1 1149945681 DEZJYXPWKYOBRJ-CQSZACIVSA-N 307.394 -0.161 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)CCN2C(=O)CCC2=O)C1 1149954703 VZFHHXFNTSDTIM-CYBMUJFWSA-N 321.377 -0.634 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)CCc1c(C)n[nH]c1C 1150740142 GURUGRCIAKJANC-ZDUSSCGKSA-N 319.409 -0.197 30 20 DBED COCCC1(NC(=O)C#CC2CC2)CCN(CC(N)=O)CC1 1151115445 UNPKSZNZVDTVQP-UHFFFAOYSA-N 307.394 -0.128 30 20 DBED N#Cc1c[nH]c(C(=O)NCCCNCCN2C(=O)CNC2=O)c1 1156281777 DFCNGIMWNLRBMS-UHFFFAOYSA-N 318.337 -0.852 30 20 DBED N#CCNC(=O)CNCCCNC(=O)[C@H]1CC[C@H]2CCCCN21 1160867971 JCNIBEPRDAZFPW-ZIAGYGMSSA-N 321.425 -0.261 30 20 DBED C#CCNCC1(CCNC(=O)[C@H](C)NS(C)(=O)=O)CC1 1167328809 VIEIFEWHJJDAGC-NSHDSACASA-N 301.412 -0.567 30 20 DBED C=CCn1cc(C(=O)NCCC2(CN[C@H](C)C(N)=O)CC2)nn1 1167414754 VZDQPHRGHZVBJU-LLVKDONJSA-N 320.397 -0.172 30 20 DBED C[C@H](CCCCNCC#N)NC(=O)[C@@H]1CCN(C)S1(=O)=O 1175645947 WXIYTLHZRAMDKE-NEPJUHHUSA-N 316.427 -0.192 30 20 DBED C[C@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)[C@H]1CCCN1C 1178355900 DAMQXOKILOKOPO-RWMBFGLXSA-N 307.398 -0.701 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)CC(C)(C)O)[C@H]1C 1178591065 DBYQDXUQRGQVPF-AGIUHOORSA-N 309.410 -0.136 30 20 DBED N#CCNCCCCCCNC(=O)c1nccnc1C(N)=O 1180227719 MLDYUIKOFMTXFB-UHFFFAOYSA-N 304.354 -0.021 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)Cc2ncc[nH]2)C1 1186585524 ZLNUEGCTYYHPMI-NWDGAFQWSA-N 303.366 -0.719 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2nn(CC)nc2C)C1 1188438241 KPOWDSHTSVISOG-GFCCVEGCSA-N 318.381 -0.840 30 20 DBED CCS(=O)(=O)N(C)CC(=O)N1CC[C@H]2CN(CC#N)C[C@H]21 1189621397 JSFXPZYHOFORTQ-NWDGAFQWSA-N 314.411 -0.676 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2[nH]c(O)nc2C)C1 1190808276 HNDMUBNFUHUBCN-NSHDSACASA-N 319.365 -0.681 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2csnn2)C1 1191586885 OZRWVZUERTTZDA-JTQLQIEISA-N 309.395 -0.013 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2cc[nH]c2CC)C1 1192607432 MTSSQDMSBUTLQG-ZIAGYGMSSA-N 320.393 -0.346 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C2(C)C[C@H]3C[C@@H]3C2)C1 1194893039 NSXFLFBSWCFCSK-AAVRWANBSA-N 321.421 -0.114 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)c2cccnc2)C1 1197866060 CIIDQGVCBKRZGI-NUEKZKHPSA-N 317.389 -0.004 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)c2cncnc2)CCCO1 1200338414 NRLZANOIZTVEGE-OAHLLOKOSA-N 318.377 -0.053 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)CCN2CCOCC2)CCCO1 1201639370 JMTSORQFDRAWAU-MRXNPFEDSA-N 323.437 -0.061 30 20 DBED C#CCCNC[C@H]1CN(C(=O)CN2C(=O)CCC2=O)CCCO1 1202021579 NBBDJRIAQGTVOT-ZDUSSCGKSA-N 321.377 -0.634 30 20 DBED C=CCOCCN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)c1nnn(C)n1)C2 1204634449 KSVQUUQRYHMFKP-JHJVBQTASA-N 320.397 -0.005 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)COCC1CC1 1206196880 GQPPFHOHGULUSN-DGCLKSJQSA-N 308.382 -0.511 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(CCCOCC)C[C@H]1C 1206892790 HYFRFSLNQKAPHP-ZIAGYGMSSA-N 309.410 -0.011 30 20 DBED CCNC(=O)NC(=O)CN[C@@H]1CCCN(C(=O)[C@H](C)C#N)C1 1207687473 FZIORISHSIBQRH-GHMZBOCLSA-N 309.370 -0.428 30 20 DBED C=CCCCN[C@@H]1CCCN(C(=O)CNC(=O)CNC(C)=O)C1 1208440110 ZHVDSWNAKKHGTN-CQSZACIVSA-N 324.425 -0.215 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCCN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1209134943 UJDGIBNBSOGYRD-SEBNEYGDSA-N 319.405 -0.403 30 20 DBED C=CCN1C[C@@H](NC(=O)C(C)(C)NS(C)(=O)=O)[C@H](C)C1 1209284257 YODHJTFUDOAOMT-GHMZBOCLSA-N 303.428 -0.063 30 20 DBED CC#CCN[C@@H]1CCCN(C(=O)[C@H]2COCCN2C(C)=O)C1 1211162203 ZKPPDWWPFVUPIE-HUUCEWRRSA-N 307.394 -0.162 30 20 DBED CO[C@@H]1CN(CC(=O)N2CCC2)C[C@H]1NC(=O)C#CC1CC1 1212244056 BSIWIFBTIIGSRS-ZIAGYGMSSA-N 305.378 -0.553 30 20 DBED C[C@@H]1CN(C(=O)Cc2cnc[nH]2)C[C@H]1NCC(=O)NCC#N 1215680709 KCOLYPREDJTLDT-ZYHUDNBSSA-N 304.354 -0.972 30 20 DBED C#CCN[C@@H]1CN(C(=O)CNS(=O)(=O)CCCC)C[C@H]1C 1216580012 IBJQOMLJCACFGZ-CHWSQXEVSA-N 315.439 -0.224 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2ccc(C)s2)C1 1219101981 RSMHGQHUICXXSP-NEPJUHHUSA-N 321.402 -0.419 30 20 DBED C=CCCC(=O)N[C@@H]1CN(CCN(C)S(C)(=O)=O)C[C@@H]1O 1219335186 UAPJKTLLZDQZKV-NEPJUHHUSA-N 319.427 -0.995 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)c2ccc(=O)n(C)c2)C1 1219935898 DDJDFXSMURCOOB-KGLIPLIRSA-N 321.377 -0.637 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C(C2CC2)C2CC2)C1 1220722966 WNGPMWDNKQFRAP-KGLIPLIRSA-N 321.421 -0.114 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)c2n[nH]cc2C)CC1 1227224133 DHPLXUXXGMNKLC-UHFFFAOYSA-N 303.366 -0.338 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)[C@@H]2CO[C@H](C)C2)CC1 1228066592 XEZRHAHUSKUSRD-OLZOCXBDSA-N 307.394 -0.259 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)[C@H]1CCCOC1 1231102990 MDABRWYXLZAVSZ-UONOGXRCSA-N 307.394 -0.305 30 20 DBED C#CCNC(=O)CC(=O)N(C)C[C@H]1CCN1CCC[C@@H](C)O 1233808919 FDLGZCPVQKYRBM-ZIAGYGMSSA-N 309.410 -0.180 30 20 DBED C#CCOCCN(C)Cc1nc2c(=O)n(C)c(=O)n(C)c2[nH]1 1254088029 HSYPTTRUNHGACM-UHFFFAOYSA-N 305.338 -0.958 30 20 DBED C=C(C)CN(CC)C(=O)C(=O)N1C[C@H](O)C[C@@H](C(=O)OC)C1 1261483709 BRXQNJVCABPCSC-VXGBXAGGSA-N 312.366 -0.207 30 20 DBED CO[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCN(CCC#N)CC2)C1 1261968583 JGUXLNPAYAGNSF-CHWSQXEVSA-N 308.382 -0.272 30 20 DBED CC(=NN1CC(=O)N(C)C1=O)c1cccc(S(N)(=O)=O)c1 1320479993 HSNSAHQRWZKWTA-UHFFFAOYSA-N 310.335 -0.048 30 20 DBED C=CCN(C(=O)c1ccc(C(N)=O)cn1)[C@H]1CCS(=O)(=O)C1 1321969261 SNHOISCLMVXVQG-NSHDSACASA-N 323.374 -0.004 30 20 DBED CC#CCCNC(=O)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O 1323006621 UKUXGTUHSRTUIA-LBPRGKRZSA-N 317.349 -0.829 30 20 DBED C#C[C@@H](NC(=O)C(=O)N1CC(OCCOCC)C1)[C@H]1CCCO1 1323819179 GMQJXFDGMOOLHY-ZIAGYGMSSA-N 324.377 -0.453 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CCO[C@]2(CCO[C@@H]2C)C1 1324237764 YMSAZQOPKXQVJT-LALPHHSUSA-N 312.366 -0.290 30 20 DBED C#C[C@H](NC(=O)C(=O)NCCOCC(F)(F)F)[C@H]1CCCO1 1327417331 GITZKXYQRKRYBI-VHSXEESVSA-N 322.283 -0.022 30 20 DBED C#C[C@H](NC(=O)C(=O)N(C)Cc1nnc(C)o1)[C@@H]1CCCO1 1328452641 SRSZONMFOASJKW-QWRGUYRKSA-N 306.322 -0.367 30 20 DBED C#C[C@@H](NC(=O)C(=O)NCc1ccc(C(N)=O)o1)[C@@H]1CCCO1 1329597749 OEHQHWYREGXHST-MNOVXSKESA-N 319.317 -0.708 30 20 DBED C[C@@H](NC(=O)C(=O)N1CCN(CCC#N)CC1)[C@H]1CCCOC1 1330298287 NPDYRVZEEBOOPH-KGLIPLIRSA-N 322.409 -0.024 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CCC[C@H]([C@@H](C)O)C2)nn1 1332058429 RDESDZRMIHWJKK-NEPJUHHUSA-N 321.381 -0.300 30 20 DBED C#CCNC(=O)[C@@H](C)SCc1nnc2c(=O)n(C)ccn12 1334804987 BRVGFBALYLAPCB-SECBINFHSA-N 305.363 -0.201 30 20 DBED C#CCNC(=O)CCN[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 1336047394 COEAFOOTHVDBIF-NWDGAFQWSA-N 311.382 -0.304 30 20 DBED C=CCCC[C@H](N)C(=O)N1CCN(S(=O)(=O)N(C)C)CC1 1341994277 JMOLRWGSTFUTKG-LBPRGKRZSA-N 318.443 -0.379 30 20 DBED CNC(=O)[C@@H](C#N)C(=O)c1cc(S(=O)(=O)N(C)C)c(C)o1 1356043947 XBQYYJLTTJBBHF-QMMMGPOBSA-N 313.335 -0.093 30 20 DBED CCCN1CCC(NC(=O)Cn2cc(C#N)c(O)nc2=O)CC1 1361714988 GRUPUMNRLMNQLN-UHFFFAOYSA-N 319.365 -0.189 30 20 DBED Cc1onc(CC(=O)N[C@@H](CO)Cc2cnn(C)c2)c1C#N 1363102424 VRALDRBFAMWHFZ-LLVKDONJSA-N 303.322 -0.150 30 20 DBED N#CCC1(CN2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)CC1 1364375418 KROZJNLHGRWKAW-QWHCGFSZSA-N 313.423 -0.544 30 20 DBED CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)Nc1ccnc(C#N)c1 1364410049 UZDAEEKEBRYVRX-QWRGUYRKSA-N 310.335 -0.113 30 20 DBED N#CCCN1CCN(C(=O)N[C@H]2CCc3nnnn3CC2)CC1 1364671179 DEDAHFSRZAJBBW-LBPRGKRZSA-N 318.385 -0.381 30 20 DBED COc1cc(C#N)ccc1OCCn1cc(S(N)(=O)=O)nn1 1365254342 FEXODKNIXDOXRB-UHFFFAOYSA-N 323.334 -0.115 30 20 DBED CCN(CC)C(=O)[C@@H](C)N1CC(O)(CNC(=O)[C@@H](C)C#N)C1 1380580576 IOBCXCHVBHYYGQ-NWDGAFQWSA-N 310.398 -0.434 30 20 DBED CCOc1nnc(CNC[C@H](O)CNC(=O)[C@@H](C)C#N)s1 1401488184 DTQAPTLETXDDKK-IUCAKERBSA-N 313.383 -0.337 30 20 DBED CC(C)OCCS(=O)(=O)NCC(=O)Nc1n[nH]cc1C#N 1413151375 SMSYKBKMVICMFG-UHFFFAOYSA-N 315.355 -0.436 30 20 DBED C[C@@H]1C[C@@H](C)[C@@H](C(=O)NCCn2cc(C#N)c(O)nc2=O)O1 1418535824 CFOPHUNUUJTXKN-KKZNHRDASA-N 306.322 -0.250 30 20 DBED C=C(Cl)CNC[C@@H](O)CNC(=O)c1nc2ncc(C)cn2n1 1422316237 BSOBNDYFTOKSNP-SNVBAGLBSA-N 324.772 -0.134 30 20 DBED CCS(=O)(=O)N[C@@H](C)C(=O)NCCN(C)C(=O)[C@H](C)C#N 1431291672 KUIWMELTRKYNPZ-ZJUUUORDSA-N 318.399 -0.952 30 20 DBED Cn1cc(C(=O)CNS(=O)(=O)c2cccnc2C#N)cn1 1434645238 WZSGRGJROQYMJW-UHFFFAOYSA-N 305.319 -0.152 30 20 DBED CC(=O)NCC(=O)N1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H]1C 1451602763 ZHCPSADPQIAOSU-ZANVPECISA-N 317.349 -0.258 30 20 DBED C[C@H](CNC(=O)c1ncn(C)n1)NC(=O)c1c[nH]c(C#N)c1 1454601717 KTWYPZRLCRDDEV-MRVPVSSYSA-N 301.310 -0.437 30 20 DBED C[C@H](C#N)C(=O)NCCN(C(=O)[C@H]1CCNC(=O)C1)C1CC1 1455936631 XAGCSHYIAXSDFP-MNOVXSKESA-N 306.366 -0.221 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]1CNC(=O)CN1CCCCC1=O 1458753472 NAWBEQPFYZGXAQ-NEPJUHHUSA-N 306.366 -0.124 30 20 DBED C[C@H](CNC(=O)c1cc(C#N)c[nH]1)N(C)Cc1nc(O)n[nH]1 1485290605 YUHZITAJUVHNCR-MRVPVSSYSA-N 303.326 -0.040 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C1CC(NCCc2cnn[nH]2)C1 1575004910 POKXJPIVZPFXIH-LMWSTFAQSA-N 305.382 -0.036 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N[C@H]1CC2(CNC2)n2ccnc21 1575912843 RMSZLAYKWOAJFV-QWRGUYRKSA-N 324.410 -0.305 30 20 DBED C#CCN(CC(=O)O)c1nnc([C@H]2C[C@H](O)CN2C)n1CC=C 1588426759 BGPNRFNFUWYJCR-NWDGAFQWSA-N 319.365 -0.274 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC(N2C[C@@H](C(=O)O)CC2=O)CC1 1588430468 MDBQHDSCOYMEPV-NEPJUHHUSA-N 321.377 -0.478 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@@H](N=c2cc[nH]cc2-c2nn[nH]n2)C1 1588930751 JXEXOIVWXJHIKU-BBBLOLIVSA-N 312.337 -0.098 30 20 DBED C[C@](NC(=O)Cn1cc(C#N)c(O)nc1=O)(C(=O)O)C1CC1 1593043485 GZAFHKLUYRVPGO-CYBMUJFWSA-N 306.278 -0.810 30 20 DBED CO[C@@H]1CCN(C(=O)[C@@H](C)n2cnc(C#N)n2)[C@@H](C(=O)O)C1 1599121732 ZLFDIHAWJOXHML-OPRDCNLKSA-N 307.310 -0.199 30 20 DBED C[C@H]1CN(CC(=O)N(CCC#N)CCC#N)C[C@@H](C(=O)O)O1 1599927981 MYQTUFFGTAGGTM-RYUDHWBXSA-N 308.338 -0.184 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCN(C)C[C@H](C(=O)O)C1 1603130725 ZRVDOPKWCXFPPP-QWRGUYRKSA-N 318.399 -0.729 30 20 DBED Cc1nn(CC(=O)O)c(C)c1CNC(=O)Cn1cnc(C#N)n1 1608005243 UTAYNMBOSQRULO-UHFFFAOYSA-N 317.309 -0.636 30 20 DBED Cc1nnc(S[C@@H](C)C(=O)N(C)CCC#N)n1CC(N)=O 1649696244 BLXQXQYEDXHNTA-QMMMGPOBSA-N 310.383 -0.076 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC[C@H](NC(=O)Cc2cc[nH]n2)C1 1732091196 XBOJPUVALDZYAA-JSGCOSHPSA-N 317.393 -0.329 30 20 DBED C=CCCCN1CCN(CCCNC(=O)c2nnn(C)n2)CC1 1752348531 AGPGIZSFSARHBJ-UHFFFAOYSA-N 321.429 -0.086 30 20 DBED C#CCN1CCN(CCNC(=O)CCc2ncccn2)CC1 1752374669 NCQZLIRNLDWJRU-UHFFFAOYSA-N 301.394 -0.224 30 20 DBED C=CCNC(=O)CN[C@@H](CNC(=O)c1[nH]c(O)nc1C)C1CC1 1752468761 NFZXLLIGZMOHTM-NSHDSACASA-N 321.381 -0.176 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@H]1C[C@H](N[C@H](C)C(=O)NC(N)=O)C1 1752628509 VPRWSSUXILIXJX-ZSJJWGNYSA-N 312.370 -0.866 30 20 DBED C#CCNC(=O)CN1CCCC[C@H]1CNC(=O)CNC(=O)OC 1752817919 RVZRHLDZFDNVPA-LBPRGKRZSA-N 324.381 -0.938 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@H]1CN(C(=O)[C@H]1CCCOC1)C2 1753303846 KQOHMTRCHAWVGZ-KKUMJFAQSA-N 319.405 -0.162 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(Cc2cn(C)nn2)CCO1 1753649717 HWDQMTCFAGTRSS-CQSZACIVSA-N 305.382 -0.064 30 20 DBED CC(C)C#CC(=O)NC[C@@H](O)CN[C@H]1CCN(C(C)C)C1=O 1753911397 PPMBPPVZXUCDGE-KBPBESRZSA-N 309.410 -0.278 30 20 DBED C#CCNC(=O)CNC/C=C\CNC(=O)[C@H]1CCCCN1C 1754139895 TYCIMCJHSLSJRQ-GEXIGZQTSA-N 306.410 -0.518 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)c2cnn[nH]2)[C@@H](C)C1 1754597791 OPEUUMPWKANGHI-WDEREUQCSA-N 306.370 -0.310 30 20 DBED C=CCOCC(=O)NC[C@]1(O)CCN([C@H](C)c2nnnn2C)C1 1754746807 ZWVCCKMXSBGMFD-BXUZGUMPSA-N 324.385 -0.973 30 20 DBED C#CCN1CC[C@](O)(CNC(=O)C(=O)Nc2ccccc2)C1 1754752259 DXERFECWMUCUMX-INIZCTEOSA-N 301.346 -0.189 30 20 DBED C#CCNC(=O)CNCCN(CCO)C(=O)[C@]12CCCC[C@H]1C2 1754891131 KIMBUVOIJBEQLI-YOEHRIQHSA-N 321.421 -0.273 30 20 DBED C#CCNC(=O)[C@H](C)N(C)CCCN(C)C(=O)Cn1cccn1 1755033075 IXUOEPGXHRZWAW-AWEZNQCLSA-N 319.409 -0.199 30 20 DBED CC(C)OCCC(=O)N1C[C@H](C)[C@@H](NCC(=O)NCC#N)C1 1755103295 JXERSOWYPRNDHZ-STQMWFEESA-N 310.398 -0.122 30 20 DBED C#CCN(C)[C@@H](C)CNC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 1755309328 XGZVICYXTWUTQN-XHSDSOJGSA-N 323.437 -0.064 30 20 DBED COCC#CCN(C)[C@@H](C)CNC(=O)[C@H]1CCc2nncn2C1 1755329573 ZYXYNMJDFWPOJM-KBPBESRZSA-N 319.409 -0.073 30 20 DBED CC(C)C#CC(=O)NCC1[C@@H]2CN([C@H]3CCC(=O)NC3=O)C[C@@H]12 1755423608 SOUGAFDTWPYQRU-IHRRRGAJSA-N 317.389 -0.255 30 20 DBED COCC#CCN1C[C@H]2C(CNC(=O)c3nonc3C)[C@@H]2C1 1755435145 AURLESBHNGUQIW-STQMWFEESA-N 304.350 -0.065 30 20 DBED C=CCNC(=O)[C@H](C)N[C@H](C)CN(C)C(=O)Cc1n[nH]c(C)n1 1755586954 SNPLDKKQWIGWRW-MNOVXSKESA-N 322.413 -0.217 30 20 DBED C#CCCN[C@@H](CO)CNC(=O)[C@@]1(C)CCCS1(=O)=O 1755641758 IDFIMVGEQDIAFB-DGCLKSJQSA-N 302.396 -0.956 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H](CO)NCCn2cccn2)cn1 1755644963 IISRHVUOBXXFKX-HNNXBMFYSA-N 313.361 -0.360 30 20 DBED CCO[C@H](C)C(=O)N(C)C[C@H](O)CN(C)CC#CCOC 1755797392 AYPVOGIONQZXSS-ZIAGYGMSSA-N 300.399 -0.188 30 20 DBED CC(C)C#CC(=O)N[C@@H](C)C1CN(C(=O)[C@H]2CN(C)C(=O)N2)C1 1756151471 ZOIQVWDKOPOWEN-WCQYABFASA-N 320.393 -0.368 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H](C)CN(C)C(=O)C1(C(N)=O)CC1 1756488925 QNARYVHHDGRHLV-IINYFYTJSA-N 311.382 -0.458 30 20 DBED CC(C)C#CC(=O)N[C@@H](CO)CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1 1756549605 BPMLSFDRDNCMIZ-FRRDWIJNSA-N 323.393 -0.859 30 20 DBED C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)CC[C@H]1CNC(=O)C(N)=O 1756938620 ARIJRTHTCAGVIA-ZJUUUORDSA-N 317.349 -0.414 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)CNC(=O)OC)C1 1756981584 JUZWDZBJPMGHBV-NXEZZACHSA-N 313.354 -0.758 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)[C@@]2(F)CCOC2)C[C@@H]1O 1757161484 DNASAWBJIFFLIU-UHIISALHSA-N 316.329 -0.995 30 20 DBED C=CCn1cc(CNCCn2cc(C(=O)O)c(O)nc2=O)cn1 1776190707 WLZMITRFEYYTJT-UHFFFAOYSA-N 319.321 -0.181 30 20 DBED CC(=O)NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC#N)C[C@@H]21 1790845606 CHZJZCRXYXWAMC-AVGNSLFASA-N 322.365 -0.984 30 20 DBED COCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1CC1 1793258595 NMEPWBCVGAUMED-YWVIFJGQSA-N 306.362 -0.364 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nccnc1C)C2 1800453337 GLVUOCWVJIJTIS-JJLQDPRZSA-N 314.345 -0.379 30 20 DBED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]n1)C2 1802022180 ZHGZCWMBFKPTSR-PTEHBNRSSA-N 317.349 -0.579 30 20 DBED CCOC(=O)[C@H]1CCCN(c2c(C#N)c(=O)n(C)c(=O)n2C)C1 54358093 ADZWKLBXUWKZNW-JTQLQIEISA-N 320.349 -0.265 30 20 DBED C#CCN1CCN(C(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)CC1 125900303 OCXUSXIHKBURBS-LBPRGKRZSA-N 315.439 -0.272 30 20 DBED C=CCNC(=O)[C@H](C)Nc1cnn(CC(=O)NCCOC)c1 186340331 PSIVPVHQMKIJFY-NSHDSACASA-N 309.370 -0.252 30 20 DBED C/N=C(/NCc1nnc2n1CCC2)N1CCC[C@H](CC(N)=O)C1 261740508 KPWQUUNGEBCNMM-LLVKDONJSA-N 319.413 -0.113 30 20 DBED Cc1nc(C(=O)N2CCN(S(N)(=O)=O)CC2)ccc1C#N 264651832 GVLGODVMHNNBNO-UHFFFAOYSA-N 309.351 -0.777 30 20 DBED COC[C@H](C/N=C(\N)N1CCN(c2ncccn2)CC1)OC 272586474 BSFKNHJZKQNXNN-LBPRGKRZSA-N 308.386 -0.425 30 20 DBED CC#CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)NC)c1C 276348885 ZCOSVPNYJQJCNI-UHFFFAOYSA-N 323.374 -0.019 30 20 DBED Cn1c(NC[C@@H](CO)[C@H]2CCOC2)c(C#N)c(=O)n(C)c1=O 281143106 ZQVFODZEZYTODK-UWVGGRQHSA-N 308.338 -0.987 30 20 DBED COC[C@H](C)N/C(N)=N/Cc1ccccc1S(N)(=O)=O 286958541 BGUZLHSJPDYHMG-VIFPVBQESA-N 300.384 -0.227 30 20 DBED CCN1CCN(CCS(=O)(=O)c2ccc(C#N)cn2)CC1=O 289857495 KZYTVPSLFQAUKD-UHFFFAOYSA-N 322.390 -0.109 30 20 DBED C[C@H]1C[C@@H](C)CN(C(=O)Cn2c(=O)c(C#N)cn(C)c2=O)C1 294492088 YMWNFPWOEQQFMZ-PHIMTYICSA-N 304.350 -0.077 30 20 DBED CCS(=O)(=O)N1CCC[C@H](/C(O)=N/CCn2ncnn2)C1 328751784 NEDVYJFFCWUIQB-JTQLQIEISA-N 316.387 -0.309 30 20 DBED C/N=C(/O)CN1CCN(C(=O)COCc2ccnn2C)CC1 328829821 UHTFQDKWXIOBEW-UHFFFAOYSA-N 309.370 -0.333 30 20 DBED C[C@@H]1C[C@@H]1N1C[C@H](/N=C(/O)N2CCN3C(O)=NC[C@H]3C2)CC1=O 329805215 MTEOZJGZSHLADG-WYUUTHIRSA-N 321.381 -0.177 30 20 DBED C[C@H](C[S@](C)=O)N/C(O)=N/C[C@@H]1CC[C@H](C(=O)N(C)C)O1 330855205 SGQMFYINOLCZJI-NWDODZNUSA-N 319.427 -0.107 30 20 DBED CCS(=O)(=O)N1CC(CNC(=O)N2CCO[C@@H](C#N)C2)C1 333336669 SCAMDHYIIDOUAB-NSHDSACASA-N 316.383 -0.798 30 20 DBED COCCN(CCC#N)S(=O)(=O)NCC(=O)NC(C)C 336886947 GQAZWJJEVLLKPX-UHFFFAOYSA-N 306.388 -0.793 30 20 DBED C=CCOC[C@@H]1NC(=O)N(C[C@@H]2CN(C3CC3)CCO2)C1=O 349108533 KDJQPPBNFUDWEW-STQMWFEESA-N 309.366 -0.027 30 20 DBED C=CCN(CCOC)C(=O)C(=O)NCCNC(=O)C(C)(C)C 358508501 CHPLJQNNFKARQO-UHFFFAOYSA-N 313.398 -0.074 30 20 DBED C=CCCOCCNC(=O)C(=O)N1C[C@H](CO)OC(C)(C)C1 422401606 SGGISHXWUZWILZ-GFCCVEGCSA-N 314.382 -0.306 30 20 DBED N#CCCn1ccc(NC(=O)C(=O)N2CCO[C@H]3CCC[C@@H]32)n1 436419769 KRMZRNWAIWYYJJ-RYUDHWBXSA-N 317.349 0.515 30 20 DBED C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C 491726987 KPHQVSMVLJQLIW-LLVKDONJSA-N 309.395 -0.112 30 20 DBED C#CCN(C)S(=O)(=O)CCCS(=O)(=O)N(C)CC#N 491815814 LZJNDYGNGCWXOA-UHFFFAOYSA-N 307.397 -0.944 30 20 DBED CC(C)CN1C(=O)C(=O)N(CC(=O)NC2(C#N)CCC2)C1=O 527118566 SZJSYJXRFBNRCW-UHFFFAOYSA-N 306.322 -0.004 30 20 DBED CC[C@@H]1C[C@H](C(=O)N2CCN(C(=O)CC#N)CC2)CC(=O)N1 583152477 VXIQVPAGQAWXGD-NWDGAFQWSA-N 306.366 -0.124 30 20 DBED Cn1c(N2[C@H]3CC[C@H]2[C@H](C(=O)O)C3)c(C#N)c(=O)n(C)c1=O 595975182 MYZZWCUNLFBTGT-XKSSXDPKSA-N 304.306 -0.602 30 20 DBED C[C@H]1CCCN(c2c(C#N)c(=O)n(C)c(=O)n2C)[C@@H]1CCN 596013232 FXXGWGFCCFENGY-CMPLNLGQSA-N 305.382 -0.091 30 20 DBED CN1C[C@@H](N(C)S(=O)(=O)N2CCO[C@@H](C#N)C2)CCC1=O 601457804 DECKFDDOIWBYRW-QWRGUYRKSA-N 316.383 -0.992 30 20 DBED CC(C)C[C@@H](C#N)NC(=O)CNS(=O)(=O)c1cn(C)cn1 610677195 YSLRFYQQUVNBRJ-JTQLQIEISA-N 313.383 -0.247 30 20 DBED C=CCOCCNC(=O)c1cc(S(N)(=O)=O)ccc1O 613360986 PTOYQPANOJWTHN-UHFFFAOYSA-N 300.336 -0.028 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)C(=O)OCC)C1=O 726040549 WLTRRHMECPONQY-MRVPVSSYSA-N 312.278 -0.542 30 20 DBED N#Cc1ccc(CNC(=O)COC(=O)C2(C(N)=O)CC2)cc1 731728104 OKAPWACIVRJNAE-UHFFFAOYSA-N 301.302 -0.017 30 20 DBED N#CCNC(=O)COC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] 731735881 UDNKPBMUOWEZRD-UHFFFAOYSA-N 321.245 -0.031 30 20 DBED C#CCCN1CCN(S(=O)(=O)CCS(C)(=O)=O)CC1 742281846 GEZUZNZQBPINQE-UHFFFAOYSA-N 308.425 -0.998 30 20 DBED C#CCNC(=O)COC(=O)[C@H](C(C)C)N1CCCS1(=O)=O 773183761 XCJAKQHRWQCDDV-LBPRGKRZSA-N 316.379 -0.661 30 20 DBED Cn1c(S)nc2cc(C(=O)NCC#CCO)ccc2c1=O 773569483 UYKBSLJGRULIGI-UHFFFAOYSA-N 303.343 -0.052 30 20 DBED N#Cc1ccc(C[C@@H](C#N)C(=O)OCC(=O)NC(N)=O)cc1 795823954 JGTIJXZFQLVLSH-NSHDSACASA-N 300.274 -0.021 30 20 DBED COC[C@](C)(C#N)NC(=O)[C@H](O)c1ccc(-c2nn[nH]n2)cc1 826147786 MBFXPKKFLVAKGM-RISCZKNCSA-N 316.321 -0.055 30 20 DBED CC(C)C#CC(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 832794801 PVKHFCBOHLQQII-UHFFFAOYSA-N 319.365 -0.865 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@@H](CN)C1CCCC1)[C@H]1CCCO1 842165038 ZVGSPMDVHHRORQ-MELADBBJSA-N 307.394 -0.083 30 20 DBED C#CCN(C)CCCNC(=O)NCc1nc(C(N)=O)cs1 852359288 FZKLIXXYXNSWNE-UHFFFAOYSA-N 309.395 -0.004 30 20 DBED CC(C)[C@@H]1CNCCN1C(=O)C(=O)Nc1cnn(CC#N)c1 861510621 XDUJSQLBOAROSQ-LBPRGKRZSA-N 304.354 -0.198 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)c2nocc2C)CC1 865177787 KAKAPNRSUGCHEZ-UHFFFAOYSA-N 304.350 -0.120 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N1CC[C@](C)(C(=O)NC)C1 875597617 LUJXMJRXLIGCID-LRDDRELGSA-N 323.393 -0.484 30 20 DBED C#CC[C@H](CO)NS(=O)(=O)c1ccc2c(c1)CC(=O)N2C 882342729 HZGRALNZTFPQTI-LLVKDONJSA-N 308.359 -0.132 30 20 DBED C#CC[C@H](CO)NC(=O)NCc1cccc(OCC(=O)NC)c1 914273896 UWDKKFYZIMLDHC-CYBMUJFWSA-N 319.361 -0.005 30 20 DBED C#CC[C@H](CO)NC(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 919070072 FRBSRGJDZLZMOX-HUUCEWRRSA-N 324.425 -0.924 30 20 DBED C#CCN1CCN(C(=O)CN2CCC(O)(CN(C)C)CC2)CC1 931485502 LADXGNWVGUMPSL-UHFFFAOYSA-N 322.453 -0.848 30 20 DBED C=CC(C)(C)C(=O)N1CCO[C@@H](CNC(=O)c2nc[nH]n2)C1 944716866 JGLPCZMEPYBBNR-JTQLQIEISA-N 307.354 -0.026 30 20 DBED CC#CCN1CC[C@H](NC(=O)CN2C(=O)CCC2=O)[C@H](C)C1 944832872 XUQGNWOYHXKGAK-OLZOCXBDSA-N 305.378 -0.015 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)C[C@@H]1C 948010310 AASZVLLXWZTAPC-QWHCGFSZSA-N 320.393 -0.127 30 20 DBED CCN1CCO[C@@H](C(=O)NC2CCN(C(=O)[C@H](C)C#N)CC2)C1 948102563 OTTMWIHCPITRSW-TZMCWYRMSA-N 322.409 -0.026 30 20 DBED NC(=O)CC(=O)N1CC[C@]2(CCN(C(=O)C#CC3CC3)C2)C1 953133826 BMJVFIURHLUZMX-INIZCTEOSA-N 303.362 -0.274 30 20 DBED C=CC(C)(C)C(=O)N1CC(N(C)C(=O)CN2C(=O)CNC2=O)C1 955382016 AYVIVIYFJSMXPL-UHFFFAOYSA-N 322.365 -0.580 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2cnc(COC)s2)C1 958744055 FEEJMBZQEXGCNQ-GHMZBOCLSA-N 309.391 -0.055 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cn(C)nn1 960344167 SEDAWJAQBYBGJI-ADEWGFFLSA-N 318.337 -0.973 30 20 DBED CC#CCN1C[C@H]2C(NC(=O)[C@H]3CN4CC5CC4(CO3)C5)[C@@H]2C1 961286865 ZKOGGKGVDHISCO-LIDHIPMTSA-N 315.417 -0.081 30 20 DBED C=C(C)CCN1C[C@@H]2C(NC(=O)c3cn(CC(N)=O)nn3)[C@H]2C1 962784827 ZPBJPPOEXYLYDQ-QWRGUYRKSA-N 318.381 -0.610 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC2(C1)CN(C(=O)[C@@H]1COCCO1)C2 965473797 PCNDVAQFCFSHLQ-RYUDHWBXSA-N 323.349 -0.999 30 20 DBED C#CCCN1CCO[C@@]2(CCN(C(=O)CS(C)(=O)=O)C2)C1 972286847 VFSVRVXUKFTJLE-AWEZNQCLSA-N 314.407 -0.642 30 20 DBED CC#CCN1CCO[C@]2(CCN(C(=O)Cn3cnnc3O)C2)C1 972348412 MRTCRYQWHMJOBV-OAHLLOKOSA-N 319.365 -0.690 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]1CN(C)C(=O)c1nnc(O)nc1O 978068642 FNRGYAOFCYRPNM-YUMQZZPRSA-N 320.309 -0.885 30 20 DBED C#CCN1C[C@@H]2C(CNC(=O)[C@H]3CCCN(C(N)=O)C3)[C@H]2C1 978443421 XKPSCBDXGKXMHI-IACUBPJLSA-N 304.394 -0.296 30 20 DBED C#CCN1CCCC2(C1)CN(C(=O)c1cn(C)c(=O)nc1O)C2 982147109 VRISYFFKDJNTOQ-UHFFFAOYSA-N 316.361 -0.343 30 20 DBED C[C@@H]1C[C@H](NCC#N)CN1C(=O)CN1CCCCS1(=O)=O 989193490 KBWUOFIZLZLJTI-NEPJUHHUSA-N 314.411 -0.485 30 20 DBED C#CCN[C@@H]1C[C@H](C)N(C(=O)Cn2ncn3nccc3c2=O)C1 989511483 ORPTWHOLZLLHCZ-NWDGAFQWSA-N 314.349 -0.897 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC(NC(=O)c2cocn2)C1 990480906 FCYAOKNWKVSTQK-ZDUSSCGKSA-N 302.334 -0.287 30 20 DBED N#Cc1c[nH]c(C(=O)NC2CN(C(=O)[C@@H]3CC[C@@H]3C(N)=O)C2)c1 990724114 UKNQWEHZVBQRHU-WDEREUQCSA-N 315.333 -0.662 30 20 DBED C#CCCN1CCC[C@H](NC(=O)c2cn(CC(N)=O)nn2)[C@@H]1C 994484621 IZTPSPXXEOMTOU-RYUDHWBXSA-N 318.381 -0.631 30 20 DBED C[C@H](C#N)C(=O)N1CC(NC(=O)c2ccc(N(C)C)nn2)C1 996509616 UABWDEXBARXZAT-SECBINFHSA-N 302.338 -0.357 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC(NCc2nnnn2C)C1 999427773 LMIWSGCROWUNTJ-TUUUFIMRSA-N 320.397 -0.120 30 20 DBED C[C@]1(C(=O)NC2CN(C(=O)c3ccc(C#N)[nH]3)C2)CCNC1=O 999799399 PDLLXLRJUMPUCA-HNNXBMFYSA-N 315.333 -0.647 30 20 DBED N#CCN1CC[C@H](n2cc(CNC(=O)c3cnsn3)nn2)C1 999955952 MSKULLJVGHKGAX-JTQLQIEISA-N 318.366 -0.170 30 20 DBED C#CCN1CCC(N(C)C(=O)CN2C(=O)CN(C)C2=O)CC1 1006376340 BSNXCCVUSIUJOK-UHFFFAOYSA-N 306.366 -0.564 30 20 DBED CC1(C)CN(C(=O)C#CC2CC2)C[C@@H]1NC(=O)[C@H]1C[C@H]1C(N)=O 1008607016 WMYGKPZUVIHSSX-AGIUHOORSA-N 317.389 -0.126 30 20 DBED O=C(C#CC1CC1)N1CCN(C(=O)c2cccn3nnnc23)CC1 1011109733 WNPSADQVHHPIPA-UHFFFAOYSA-N 324.344 -0.178 30 20 DBED C[C@]1(CC(=O)N2CC[C@H](NCC#N)C2)CCS(=O)(=O)N1 1019701831 NTCBEWOJCQLQOY-CMPLNLGQSA-N 300.384 -0.828 30 20 DBED C#CCN[C@H]1C[C@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 1020449669 QXULQDYISPOEAA-MGCOHNPYSA-N 300.326 -0.823 30 20 DBED C=C(Cl)CN[C@H]1C[C@H](NC(=O)CN2CCNC(=O)C2)C1 1020464125 ZLXIYIOFQBLKIS-XYPYZODXSA-N 300.790 -0.593 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)c2ccc(C(N)=O)[nH]2)[C@@H]1C 1020538834 UTIPBKYFVDTBDX-GUBZILKMSA-N 317.349 -0.008 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCC1CN(Cc2ncnn2C)C1 1031741339 WUJYPPNHJRUTHL-AWEZNQCLSA-N 316.409 -0.539 30 20 DBED CC#CCN1CC(CNC(=O)C2CC3(C2)CS(=O)(=O)C3)C1 1031768372 FYSFXKSFHSGVCF-UHFFFAOYSA-N 310.419 -0.118 30 20 DBED C#CCCN1CC(CNC(=O)[C@H]2C[C@H](OC)CN2C(C)=O)C1 1031877891 HWKXVFOQTSIWPG-LSDHHAIUSA-N 307.394 -0.307 30 20 DBED CC#CCN1CCO[C@H](CNC(=O)[C@@H]2CCS(=O)(=O)C2)C1 1035437761 IEVCUTPWRGBQMS-CHWSQXEVSA-N 314.407 -0.739 30 20 DBED C#CCCN1CCO[C@H](CNC(=O)[C@@H]2CCN(C(C)=O)C2)C1 1035593186 MQXSEPQWSXWUBZ-HUUCEWRRSA-N 307.394 -0.305 30 20 DBED CC(C)C#CC(=O)N1CC[C@@](O)(CNC(=O)[C@H](O)C(C)C)C1 1039626736 JEBQTZUYPGLNQO-GDBMZVCRSA-N 310.394 -0.258 30 20 DBED N#CCN1[C@H]2CCC[C@H]1CN(C(=O)CN1CCNC(=O)C1)C2 1039822616 GOXDCEOFNXOGLV-STQMWFEESA-N 305.382 -0.993 30 20 DBED CCCN(C)CCC(=O)NC[C@@]1(O)CCN(C(=O)[C@H](C)C#N)C1 1040447307 QBPRWUXKXUQWKM-CJNGLKHVSA-N 324.425 -0.042 30 20 DBED C[C@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)Cc2cnc[nH]2)C1 1040767023 VRPKLQZMGZOSSS-YGRLFVJLSA-N 305.338 -0.809 30 20 DBED O=C(NCC1(O)CN(C(=O)C#CC2CC2)C1)C1CCOCC1 1041123923 AEBFRCZLBHVVGN-UHFFFAOYSA-N 306.362 -0.484 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@]2(CCN(Cc3nnnn3C)C2)C1 1041147620 UBANHSIKWIVJME-FZMZJTMJSA-N 303.370 -0.206 30 20 DBED N#Cc1cc(C(=O)N2CC[C@@]3(CCN(CC(N)=O)C3)C2)c[nH]1 1041221565 KEDSVXTZVSYRIB-OAHLLOKOSA-N 301.350 -0.090 30 20 DBED Cc1nn[nH]c1C(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@H]1O 1041283200 JBNWXCHGAOVSAR-ZYHUDNBSSA-N 313.321 -0.641 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(O)(CNC(=O)c2cc(C)on2)C1 1041368358 DTKHZNOUOALUQM-AWEZNQCLSA-N 323.349 -0.387 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC(O)(CNC(=O)[C@@H]3CCOC3)C2)c1 1041874341 RAFHMECAVXEMRY-LLVKDONJSA-N 318.333 -0.774 30 20 DBED C#CCN1CC[C@H]2CCN(C(=O)CN3CCOCC3=O)C[C@H]21 1042096116 BALGVTAACBLBKB-UONOGXRCSA-N 305.378 -0.599 30 20 DBED C=CCCCC(=O)N1CC(O)(CNC(=O)C2(NC(N)=O)CC2)C1 1042647744 GHDGQNVEQOHIJO-UHFFFAOYSA-N 324.381 -0.767 30 20 DBED CO[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1NC(=O)c1ccon1 1042774864 XECQPLSTFOQNIC-VXGBXAGGSA-N 314.305 -0.030 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)[C@]2(C)CNC(=O)C2)C1 1042805508 PGOLRZIHZUZDBF-HNNXBMFYSA-N 321.377 -0.994 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(O)CN(C(=O)c2cc[nH]n2)C1 1042809480 LWBGNWOACMVBFY-CYBMUJFWSA-N 308.338 -0.960 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)[C@@H](C)OCC)C1 1043036904 TVIBDORGNSHNON-VXGBXAGGSA-N 312.366 -0.861 30 20 DBED CN(C)C1(C(=O)NCC2(O)CN(C(=O)C#CC3CC3)C2)CCC1 1043454074 FFUBKTSIFZYPGX-UHFFFAOYSA-N 319.405 -0.426 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)[C@H]2C[C@H](C)CO2)C1 1044558365 URFWDGIZGODELE-QWHCGFSZSA-N 308.378 -0.240 30 20 DBED C=C[C@@H](C)[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2nc[nH]n2)C1 1044789272 KBFAVPIWEBBVEN-NXEZZACHSA-N 307.354 -0.434 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)c2ncccc2F)C1 1045265853 SPWHTPJDPVSAKH-SECBINFHSA-N 306.297 -0.317 30 20 DBED CC#CCN1CC[C@@H](N2CCN(C(=O)Cn3nccn3)CC2)C1 1046032305 ADKGXSXOJZEWSW-OAHLLOKOSA-N 316.409 -0.480 30 20 DBED C=CCn1cccc1C(=O)N(C)[C@H]1CN([C@@H](C)C(N)=O)C[C@@H]1O 1047409412 ULHJZYIGQOAAGT-UBHSHLNASA-N 320.393 -0.335 30 20 DBED C#CCN1CCC(C(=O)N(C)[C@H]2CN(C[C@H](C)O)C[C@@H]2O)CC1 1047638101 BOUKMGBBILWURH-BPUTZDHNSA-N 323.437 -0.784 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2c(OC)ncnc2OC)C1 1047645090 DZIGUNGANPTBCQ-QWRGUYRKSA-N 320.349 -0.756 30 20 DBED CC(C)C#CC(=O)N(C)[C@H]1CN(C(=O)c2cn(C)nn2)C[C@@H]1O 1048811211 QMHYEHCQXXTDGX-STQMWFEESA-N 319.365 -0.882 30 20 DBED C=CCOCC(=O)N[C@@H](C)[C@@H]1CCN(C(=O)c2cnnn2C)C1 1050593898 DIUQYQFTMLWACX-NWDGAFQWSA-N 321.381 -0.016 30 20 DBED C=CCCN1CCOC[C@@H]1CNC(=O)c1cn(CCOC)nn1 1050907375 XPEBPLGBPIXDJC-ZDUSSCGKSA-N 323.397 -0.069 30 20 DBED N#CCN1CCN([C@H]2CCN(C(=O)[C@]3(F)CCOC3)C2)CC1 1052070649 KPMNJNPEIPNUTQ-ZFWWWQNUSA-N 310.373 -0.143 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1C 1053161964 SXCQGYDDSVMITN-NWDGAFQWSA-N 319.365 -0.331 30 20 DBED C[C@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1CNC(=O)C#CC1CC1 1053170902 GWYQWNQUAOQSCZ-CMPLNLGQSA-N 316.365 -0.552 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)c1cc3n(n1)CCO3)CCO2 1053289054 RUDMZFMKLCHSRS-UHFFFAOYSA-N 316.361 -0.174 30 20 DBED C#CCN1CC2(C1)CN(C(=O)[C@@H]1CCCN(C(N)=O)C1)CCO2 1053331966 FHBLBPFCQMZXOW-CYBMUJFWSA-N 320.393 -0.677 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)C[C@@H]1CCC(=O)N1C)CCO2 1053370725 RKVQDTGDTREYHC-AWEZNQCLSA-N 319.405 -0.066 30 20 DBED CC#CCN1CC2(CC[C@H](CNC(=O)[C@H]3COCCN3C)O2)C1 1053592603 OMSFQMDGYICQKZ-HUUCEWRRSA-N 321.421 -0.310 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)c3cn(C)ccc3=O)CO2)C1 1053867911 WTXCZAGYUGPCBO-GFCCVEGCSA-N 301.346 -0.408 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)[C@H]3CC(=O)N(CCC)C3)CO2)C1 1053940813 LSYGITKYAMLBEL-KBPBESRZSA-N 319.405 -0.162 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@](CO)(NC(=O)c2cnsn2)C1 1055798220 NKYQTDPUOZWYLF-NOZJJQNGSA-N 323.378 -0.219 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCC[C@H]2CN(C(=O)CC(N)=O)C[C@H]21 1056651484 DVZDPPGZKAHJBF-HWWQOWPSSA-N 323.393 -0.362 30 20 DBED C#CCO[C@H](C)C(=O)NCCN(CCO)C(=O)/C=C/C1CC1 1057271342 KPCYYKMLHYLFCK-KTRBRXNASA-N 308.378 -0.072 30 20 DBED N#Cc1nc(=NCC2CCN(C(=O)c3nc[nH]n3)CC2)cc[nH]1 1057510192 XIRJTAKHVPMIPX-UHFFFAOYSA-N 312.337 -0.147 30 20 DBED Cc1nnc(CC(=O)NCCN(CCO)C(=O)C#CC(C)C)o1 1057517075 KDJQKGAOUSMNJH-UHFFFAOYSA-N 322.365 -0.483 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)[C@H]1CCCCN1C 1058040611 VCUFZUQLPDWKGD-CHWSQXEVSA-N 310.398 -0.433 30 20 DBED Cn1cc(C(=O)N[C@@H]2CCCN(c3ccc(C#N)nn3)C2)nn1 1058155460 IFKCOUNCYLOZNT-LLVKDONJSA-N 312.337 -0.124 30 20 DBED C=C(C)C[C@@H](C)C(=O)N(CCO)CCNC(=O)CNC(C)=O 1058462353 RCTHFVREXKYUJF-GFCCVEGCSA-N 313.398 -0.338 30 20 DBED N#Cc1cnc(N2CC[C@H](NC(=O)c3cncnc3O)C2)cn1 1058476324 PWQWUDMGWGHFJJ-VIFPVBQESA-N 311.305 -0.147 30 20 DBED Cc1cnn(CC(=O)NCCN(CCO)C(=O)[C@@H](C)C#N)c1 1058652813 FXWGJDJCFHNBKQ-LBPRGKRZSA-N 307.354 -0.712 30 20 DBED COc1c(C(=O)NCCN(CCO)C(=O)[C@H](C)C#N)cnn1C 1058655361 WUPXCXKJFKZZBM-SNVBAGLBSA-N 323.353 -0.861 30 20 DBED Cn1cncc1CC(=O)N[C@H]1C[C@H](N=c2cc[nH]c(C#N)n2)C1 1059261260 GSAQFLKRUKPQCH-XYPYZODXSA-N 311.349 -0.195 30 20 DBED C[C@H](C#N)C(=O)NCC[C@@H]1CCN(C(=O)CCNC(N)=O)C1 1059631721 KHSMYHPFUWLNKP-GHMZBOCLSA-N 309.370 -0.441 30 20 DBED C#CCCCC(=O)NCC[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 1060258422 GJOVQTHHIBKPPX-OLZOCXBDSA-N 320.393 -0.174 30 20 DBED Cn1nncc1C(=O)NC[C@@H]1CCCN1c1cncc(C#N)n1 1061353656 NFMMRAYYMROSPL-NSHDSACASA-N 312.337 -0.124 30 20 DBED CC(C)C#CC(=O)NC[C@H]1COCCN1C(=O)[C@H]1COCCO1 1061566567 PLFNZTJFEAIOAG-UONOGXRCSA-N 324.377 -0.595 30 20 DBED C=CC(C)(C)C(=O)NC[C@@H]1COCCN1C(=O)c1cnnn1C 1061753890 VBYNQTYDVHEMCO-LLVKDONJSA-N 321.381 -0.016 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)[C@@H]1[C@H]2COC[C@H]21 1061851412 NXXZNBPQQTXECZ-JZRPKSSGSA-N 307.350 -0.618 30 20 DBED C=CCOCC(=O)NC1(CNC(=O)[C@@]2(C)CNC(=O)C2)CCC1 1063678934 AJYWFOTWHAQJEZ-OAHLLOKOSA-N 323.393 -0.130 30 20 DBED C[C@@H](N=c1cc[nH]c(C#N)n1)[C@H]1CCCN(C(=O)C(N)=O)C1 1063904418 LAZHFAXSGWKRRS-ZJUUUORDSA-N 302.338 -0.706 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)[C@H]2CCNC(=O)C2)CCC1 1064302544 MUXTYJNYTZFRJP-QWRGUYRKSA-N 306.366 -0.173 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCO[C@H](CNC(=O)c2cnon2)C1 1065096862 LOYNHCIQDZVAQD-QMTHXVAHSA-N 324.337 -0.646 30 20 DBED CN(C)C(=O)CC(=O)N1CCO[C@H](CNC(=O)C#CC2CC2)C1 1065165773 UQVQRWNKPZDLPQ-CYBMUJFWSA-N 321.377 -0.778 30 20 DBED C#CCNC(=O)CC(=O)N(C)CCCN(C)C(=O)c1cc[nH]n1 1066890795 BPUDGXCNAFBJPZ-UHFFFAOYSA-N 319.365 -0.530 30 20 DBED C[C@@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1N=c1cc[nH]cc1C#N 1067149032 MCADSHWPFFDZST-MFKMUULPSA-N 312.337 -0.679 30 20 DBED N#Cc1cc(C(=O)NC[C@H]2CN(c3ncccn3)C[C@@H]2O)c[nH]1 1067659705 ZJYQDMDIPSRRPK-AAEUAGOBSA-N 312.333 -0.097 30 20 DBED C=CC(C)(C)C(=O)N1CC2(C[C@@H](NC(=O)CC(N)=O)CO2)C1 1068781323 AIQZHCPVOCBXRW-SNVBAGLBSA-N 309.366 -0.440 30 20 DBED CC#CCN1CCn2ncc(CNC(=O)c3ncn(C)n3)c2C1 1069859934 UUBYAPJJHZXOHS-UHFFFAOYSA-N 313.365 -0.220 30 20 DBED Cc1cnn(CC(=O)N[C@@H]2CN(CC#N)C[C@@H]2n2ccnn2)c1 1069899065 OIXAPTPNOZZBAP-OLZOCXBDSA-N 314.353 -0.652 30 20 DBED Cc1ccnn1CC(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1 1070042336 HVIOHYONZVMARW-OLZOCXBDSA-N 314.353 -0.652 30 20 DBED C=CCCOCC(=O)N[C@@H]1CCCN(C(=O)Cn2cnnn2)C1 1070412155 NGDLUTOUARQLAP-GFCCVEGCSA-N 322.369 -0.627 30 20 DBED CO[C@@H](C)CN1CCNC(=O)CCN(C(=O)[C@H](C)C#N)CC1 1070947279 PUSNEAATBLEBDZ-OLZOCXBDSA-N 310.398 -0.169 30 20 DBED C=C(C)CN1CCNC(=O)CCN(C(=O)[C@H]2COC(=O)N2)CC1 1070958921 ZWQSOKPBSLSMLA-GFCCVEGCSA-N 324.381 -0.679 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H](C)[C@H](NC(=O)COCC=C)C1 1071935725 GGROFYBHEGOVJY-QWHCGFSZSA-N 321.377 -0.708 30 20 DBED C#CCO[C@H](C)C(=O)NC1(C)CCN(C(=O)CNC(N)=O)CC1 1072860123 GIGHNGJARKSTAF-LLVKDONJSA-N 324.381 -0.810 30 20 DBED C#CCN1CCC2(C1)CN(C(=O)CN1C(=O)NC(C)(C)C1=O)C2 1073404308 SYHGWEBPTWYGHJ-UHFFFAOYSA-N 318.377 -0.516 30 20 DBED C#CCCCCC(=O)N1CCN(C2CN(C(=O)C(N)=O)C2)CC1 1073563165 RSUWRBNZXASNDB-UHFFFAOYSA-N 320.393 -0.980 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)CN3CCCCC3=O)C[C@H]21 1074284789 SEMFIJDBNZHMDJ-CABCVRRESA-N 319.405 -0.066 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CCN(C(=O)CC(N)=O)CC1 1074526048 JCSJYDHDNSQUTO-UHFFFAOYSA-N 311.382 -0.456 30 20 DBED C[C@H](C#N)C(=O)N1CCC(O)(CNC(=O)Cc2cnc[nH]2)CC1 1074707130 UXSHRIPOFXRLBM-LLVKDONJSA-N 319.365 -0.418 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](NC(=O)CNC(C)=O)C[C@@H]1C 1074782115 HVAGLXSXNHZFIC-GXTWGEPZSA-N 323.393 -0.342 30 20 DBED C=CCOCC(=O)N1CC[C@@H](NC(=O)Cn2cncn2)C[C@H]1C 1075203444 FPAZEPUDCVAARH-CHWSQXEVSA-N 321.381 -0.024 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)CNC(C)=O 1075428311 OOQMYNACGCHVPG-JSGCOSHPSA-N 322.409 -0.769 30 20 DBED C#CCOCCC(=O)NCC[C@H](C)NC(=O)c1cnnc(O)c1 1076506574 YZOPFZBWGWPISW-NSHDSACASA-N 320.349 -0.153 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2ncn(-c3ccccc3)n2)C1 1077194870 YPROWAFPTWRMOO-ZIAGYGMSSA-N 311.345 -0.325 30 20 DBED C=CCOCC(=O)N[C@@H](C)CCNC(=O)[C@H](C)S(C)(=O)=O 1077261147 KJEXUQRZWOJOSO-QWRGUYRKSA-N 320.411 -0.367 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)c2nc3nccc(C)n3n2)C1 1078123579 ZMYHPORCTIOMKE-VXGBXAGGSA-N 314.349 -0.769 30 20 DBED Cc1nn(CC(=O)N2C[C@H]3CC[C@H]2[C@H](NCC#N)C3)c(=O)n1C 1079098583 WUNGUFBIOYCNIF-XQQFMLRXSA-N 318.381 -0.617 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(N(CC)C(=O)[C@H]2COCCO2)C1 1079349993 UTBGIMDTDMPXSM-TZMCWYRMSA-N 324.377 -0.501 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(N(CC)C(=O)CCNC(N)=O)C1 1079752956 CYZMWFFCIYSJAZ-LLVKDONJSA-N 324.381 -0.858 30 20 DBED CCOCC(=O)NC[C@H]1CN(C(=O)CSCC#N)C[C@H]1O 1081211811 DYRKQYBFVSMHSN-WDEREUQCSA-N 315.395 -0.785 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)Cc2cnn(C)c2)C[C@H]1O 1081332070 ANLBHLPMYSOIJU-ZIAGYGMSSA-N 320.393 -0.136 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)Cc2nonc2C)C[C@@H]1O 1081335671 NRSYMBSZTCFYQT-AAEUAGOBSA-N 322.365 -0.178 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2ncc[nH]2)C1 1081454855 FQCKGNCZMOSVPE-VXGBXAGGSA-N 304.350 -0.382 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)c2cocn2)C[C@@H]1O 1081464137 WCBLUMKZKLHWIZ-YPMHNXCESA-N 305.334 -0.117 30 20 DBED Cc1ncc(C(=O)N2C[C@H](O)[C@H](CNC(=O)C#CC3CC3)C2)[nH]1 1081472289 XKQLPQWRORCFIA-OCCSQVGLSA-N 316.361 -0.319 30 20 DBED C#CCCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CCCC(N)=O)C1 1081576538 BVPZHDJQHUIEPC-QWHCGFSZSA-N 323.393 -0.619 30 20 DBED C#CCCN1C[C@@H](NC(=O)[C@@H]2COCCN2C(C)=O)[C@H](OC)C1 1082377512 SZBFCZXAQICKGC-QLFBSQMISA-N 323.393 -0.928 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)[C@H]2CC(=O)N(C)C2)C1 1083505062 ZCRDREICYTWZCF-AXFHLTTASA-N 301.774 -0.622 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2[nH]c(C)c(C(N)=O)c2CC)C1 1083521786 HOIOOXUPUFCTDW-NEPJUHHUSA-N 318.377 -0.607 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2ccon2)C[C@@H]1O 1083536000 YPFGPQXMWUQEKF-ILXRZTDVSA-N 318.377 -0.567 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2cccc3nsnc23)C1 1083906477 JBAYUGXUEKOIRI-MNOVXSKESA-N 303.347 -0.010 30 20 DBED C=C(Cl)CN[C@@H]1CN(C(=O)C(N)=O)C[C@H]1c1cnn(C)c1 1086994141 JZSSLZUZZHDBJJ-WDEREUQCSA-N 311.773 -0.458 30 20 DBED CC1(C)[C@@H]2[C@@H](CCCN2CC#N)[C@H]1NC(=O)Cn1ncnn1 1087286462 RDPGOFJNUWDNEE-UHTWSYAYSA-N 303.370 -0.198 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2cn(C)c(=O)nc2O)[C@H]1C 1089035510 FVFAIWJBDKKMJN-PWSUYJOCSA-N 304.350 -0.298 30 20 DBED CNC(=O)NCC(=O)N[C@@H](C)C[C@@H](C)Nc1cnc(C#N)cn1 1089501566 ZVGFTFCBFFXQIP-ZJUUUORDSA-N 319.369 -0.028 30 20 DBED N#CCN1C[C@@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)Cn2cnnc2O)C1 1089796653 VAPUPWOMJOAVHB-RVMXOQNASA-N 316.365 -0.324 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cn(C)nc2COC)[C@H](O)C1 1090371548 LKMXQBGBXWHIEW-GXTWGEPZSA-N 306.366 -0.635 30 20 DBED Cc1noc2ncnc(N3C[C@@H](O)[C@H](NC(=O)[C@@H](C)C#N)C3)c12 1090403854 CLQZZLQTWYNZIF-FXBDTBDDSA-N 316.321 -0.248 30 20 DBED N#CCN1CC[C@H](NC(=O)c2cnc3cccnn23)[C@@H](O)C1 1090631825 WPKLWLDOHIFSGY-JQWIXIFHSA-N 300.322 -0.582 30 20 DBED CSCC(=O)N[C@@H]1CCN(c2cnc(C#N)cn2)C[C@@H]1O 1092149390 YBXGZURSIDIMNJ-MNOVXSKESA-N 307.379 -0.233 30 20 DBED CCC(=O)NCC(=O)N[C@H]1[C@@H]2CN(c3ccc(C#N)nn3)C[C@@H]21 1093234055 GSQSJGVNYXIBIG-HBYGRHMLSA-N 314.349 -0.575 30 20 DBED C[C@@H](C(=O)NCCCNc1cnc(C#N)cn1)N1CCOCC1 1094485964 XKBAKTYGBKUTFS-LBPRGKRZSA-N 318.381 -0.013 30 20 DBED C=C(C)CN1CC(N2C[C@H](NC(=O)Cn3cccn3)CC2=O)C1 1094705290 KEEGPUGVZMRUCH-CYBMUJFWSA-N 317.393 -0.140 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)[C@@]3(C)CCNC3=O)CC2=O)C1 1094783641 UFNGVIOFQDNTFN-ZBEGNZNMSA-N 320.393 -0.900 30 20 DBED Cc1cc(C#N)nc(N[C@@H]2CCN(C(=O)CNC(N)=O)C2)n1 1095014835 FQQUCYUPAZEFQL-SECBINFHSA-N 303.326 -0.662 30 20 DBED CCN(CCCNC(=O)CNC(C)=O)c1cncc(C#N)n1 1095817548 PGGBFFRVYKKMBI-UHFFFAOYSA-N 304.354 -0.183 30 20 DBED CCCC(=O)NCC(=O)N[C@H]1CCN(c2nccnc2C#N)C1 1096326313 AKJGMMZUJGBRBV-NSHDSACASA-N 316.365 -0.041 30 20 DBED N#Cc1ccc(N2CC[C@H](NC(=O)CCn3ccnn3)C2)nn1 1096362629 LPCNYSSMXJBDFI-LBPRGKRZSA-N 312.337 -0.275 30 20 DBED CN(C)C(=O)CC(=O)N[C@H]1CCN(c2cncc(C#N)n2)C1 1096489008 YOJIYCQZDJRINM-JTQLQIEISA-N 302.338 -0.479 30 20 DBED C[C@H](NC(N)=O)C(=O)NC[C@@H](Nc1cncc(C#N)n1)C1CC1 1096655957 KDJMKIDZVWZCGF-GZMMTYOYSA-N 317.353 -0.288 30 20 DBED CNC(=O)C1(C(=O)N[C@H]2C[C@H](Nc3cncc(C#N)n3)C2)CC1 1097044059 FGDJUGYOGWOZBF-MGCOHNPYSA-N 314.349 -0.066 30 20 DBED C[C@@H](CNC(=O)CCN1CCOCC1)Nc1nccnc1C#N 1097945629 RLPJINLSXDPCKL-LBPRGKRZSA-N 318.381 -0.013 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H]1CN(C(C)=O)CCO1 1098310027 VBLIFCRZDSLULV-KBXIAJHMSA-N 305.378 -0.412 30 20 DBED CC[C@@]1(C(=O)NC[C@@H](C)N=c2cc[nH]c(C#N)n2)CCNC1=O 1098369819 JIGGNJVEHWSWJG-MEBBXXQBSA-N 316.365 -0.397 30 20 DBED C#CCN(CCO)C1CCN(C(=O)[C@H]2CCN(C)C2=O)CC1 1098456653 LUDZCVCPSATWGA-AWEZNQCLSA-N 307.394 -0.617 30 20 DBED C#CCNC(=O)[C@H](C)NCc1cn([C@@H]2CCN(C(C)=O)C2)nn1 1098592866 ZAIJXYXSDKSXDW-SMDDNHRTSA-N 318.381 -0.701 30 20 DBED C#CCN1C[C@H]2[C@@H]3CC[C@@H](CN3C(=O)CCNC(N)=O)[C@H]2C1 1099552319 LEAHRVIQTFTSSA-DGAVXFQQSA-N 304.394 -0.153 30 20 DBED C=CCCC(=O)N[C@@H]1CCN(CCN2C(=O)CNC2=O)C[C@@H]1O 1099723401 HFOZFNOSTCMQQS-NEPJUHHUSA-N 324.381 -0.944 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)CCS(=O)(=O)NC)[C@H](O)C1 1099832783 MKLCWCICNFLZJE-VXGBXAGGSA-N 319.427 -0.947 30 20 DBED C=C(C)CCC(=O)N[C@@H]1CCN(Cc2nc(=O)n(C)[nH]2)C[C@H]1O 1099855339 GMZYRZQYVVHLIA-VXGBXAGGSA-N 323.397 -0.484 30 20 DBED C=CCCN1CC[C@H](NC(=O)CN(C)S(C)(=O)=O)[C@@H](O)C1 1099861182 OIGKZVHFDAGZLD-RYUDHWBXSA-N 319.427 -0.995 30 20 DBED C=CCC(C)(C)C(=O)N[C@@H]1CCN(Cc2nnnn2C)C[C@H]1O 1100020682 RAINKBHRQUOCHU-VXGBXAGGSA-N 322.413 -0.136 30 20 DBED C#CCNC(=O)CC(=O)NCCN(C)c1nc(CC)ns1 1100037824 VASLCEIADFGYMF-UHFFFAOYSA-N 309.395 -0.208 30 20 DBED CC(=O)N1CCC[C@@H]1C(=O)NCCN(C)c1cnc(C#N)cn1 1100155635 UDEWKGZAEHOFDZ-CYBMUJFWSA-N 316.365 -0.088 30 20 DBED C#CCO[C@H](C)C(=O)NCC1CC(NCc2cn(C)nn2)C1 1100322747 SXUDVWMGSCFDRX-PNESKVBLSA-N 305.382 -0.162 30 20 DBED CCN(CCNC(=O)c1nccnc1N)c1cnc(C#N)cn1 1100478033 WUGYDRVUQOITAW-UHFFFAOYSA-N 312.337 -0.023 30 20 DBED CCCN(CCNC(=O)[C@H]1CNC(=O)N1)c1cnc(C#N)cn1 1101235704 DIFSOMRDNXNHPQ-LLVKDONJSA-N 317.353 -0.638 30 20 DBED N#Cc1cnccc1N(CCNC(=O)[C@H]1CNC(=O)N1)C1CC1 1101432999 VSNICTXQABSMOZ-GFCCVEGCSA-N 314.349 -0.280 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1CNC(=O)c1ccncn1 1102473942 XPHGAARJHQFWPH-VXGBXAGGSA-N 316.365 -0.586 30 20 DBED CC#CCN1C[C@@H](C)[C@H](CCNC(=O)Cn2ncn(C)c2=O)C1 1103165349 ZNAVKZLAVORGNS-ZIAGYGMSSA-N 319.409 -0.321 30 20 DBED CC(=O)N1CCO[C@@H](C(=O)NCC[C@@H]2CN(CC#N)C[C@H]2C)C1 1103687162 MQRCJZNVOJXJKF-BPLDGKMQSA-N 322.409 -0.169 30 20 DBED CNC(=O)NCCC(=O)NC[C@@H](C)CNc1ccc(C#N)nn1 1103929126 PRAFCFHVTMFDTM-JTQLQIEISA-N 319.369 -0.168 30 20 DBED CCNC(=O)CC(=O)NC[C@H](C)CN=c1cc[nH]c(C#N)n1 1103957902 AHTGYZGZVOBJQR-SNVBAGLBSA-N 304.354 -0.539 30 20 DBED CC#CCNCC[C@@H]1CN(C(=O)c2nnc(O)nc2O)C[C@H]1C 1104386254 NBIPUSYAEQIETO-GHMZBOCLSA-N 319.365 -0.006 30 20 DBED Cc1occc1C(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1 1105714689 FSDPUTGGFRVNHG-JTQLQIEISA-N 301.306 -0.126 30 20 DBED N#CCN1CC(OC2CCN(C(=O)C(=O)NCC3CC3)CC2)C1 1105730645 RSPFJOFGURHALD-UHFFFAOYSA-N 320.393 -0.272 30 20 DBED C[C@@](O)(CC(=O)NC[C@H](O)CNc1cnc(C#N)cn1)C1CC1 1105826781 KCARQFMZWCBGHG-IUODEOHRSA-N 319.365 -0.212 30 20 DBED CO[C@@H](C(=O)NC[C@@H](O)CN=c1cc(C)[nH]cc1C#N)C1CC1 1105833587 OGRKFBDZMOPCOQ-DZGCQCFKSA-N 318.377 -0.002 30 20 DBED N#Cc1cnc(NC[C@@H](O)CNC(=O)Cn2cncn2)c(F)c1 1105838769 CVNJBMAOZKRJQL-JTQLQIEISA-N 319.300 -0.727 30 20 DBED CN1CC[C@H](C(=O)NC[C@@H](O)CNc2ncc(C#N)cc2F)C1 1105853472 OOYKIZILHRGNIW-RYUDHWBXSA-N 321.356 -0.067 30 20 DBED COCCC[C@H](C)C(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1 1105965833 HOLICTDDORWAOF-NWDGAFQWSA-N 321.381 -0.278 30 20 DBED N#Cc1nccnc1NC[C@@H](O)CNC(=O)c1csc(O)n1 1106067201 SBYLZVAISIBXAP-SSDOTTSWSA-N 320.334 -0.287 30 20 DBED C#CCOCCC(=O)N1C[C@@H](C)[C@H](CN[C@H]2CCNC2=O)C1 1106115628 ZJNFGYPGHKENOF-MCIONIFRSA-N 307.394 -0.401 30 20 DBED C[C@H](C#N)C(=O)NCc1cn(C2CN(C[C@@H]3CCOC3)C2)nn1 1107149550 INSVGXXXPNHUMX-NEPJUHHUSA-N 318.381 -0.053 30 20 DBED N#Cc1cnc(NC/C=C\CNC(=O)[C@@H]2CC[C@@H]2C(N)=O)cn1 1107452717 TYSAUJPOKJCFEN-YSPFUZRBSA-N 314.349 -0.056 30 20 DBED C[C@@]1(C(=O)NC/C=C/CNc2cncc(C#N)n2)CCNC1=O 1107508315 CUZSUXFKYMVETD-FAAWYNLUSA-N 314.349 -0.041 30 20 DBED C[C@]1(CNC(=O)C[C@H]2CCC(=O)NC2)CN(CC#N)CCO1 1107994484 PGRWHWREUGCDKX-DOMZBBRYSA-N 308.382 -0.367 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)C[C@H]2CCCC(=O)N2)C1 1108062557 DIYUYLAXIJEODM-CJNGLKHVSA-N 307.394 -0.115 30 20 DBED CCn1cc(CC(=O)NC[C@@]2(C)CN(CC#N)CCO2)nn1 1108090996 ZRHWMYFAUSCFJR-AWEZNQCLSA-N 306.370 -0.429 30 20 DBED C=CCCCN1CCO[C@](C)(CNC(=O)c2nnn(C)n2)C1 1108138829 VWJUZYQSDQTRAH-CQSZACIVSA-N 308.386 -0.003 30 20 DBED C#CCNC(=O)CN1CCO[C@](C)(CNC(=O)[C@H]2CC23CC3)C1 1108241388 ZVDWVROUDOUQBO-CZUORRHYSA-N 319.405 -0.257 30 20 DBED CO[C@@H](C(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1)C1CC1 1108540892 JRPDODSCAWJBNB-BXUZGUMPSA-N 306.366 -0.664 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)c1cnc(O)n1C 1108635112 FHAVIPIBRCWQSE-QMMMGPOBSA-N 301.310 -0.560 30 20 DBED CN(CCCN=c1cc[nH]c(C#N)n1)C(=O)Cn1cnnc1O 1109416884 CMPXWOMRVORZMS-UHFFFAOYSA-N 316.325 -0.972 30 20 DBED CNC(=O)CC(=O)NCC1(N=c2cc(C)[nH]cc2C#N)CC1 1110103569 BMUWSIDJNAICKV-UHFFFAOYSA-N 301.350 -0.120 30 20 DBED CC1(CNC(=O)CC(N)=O)CCN(c2cncc(C#N)n2)CC1 1110869298 NYKNWJASPAYDAO-UHFFFAOYSA-N 316.365 -0.054 30 20 DBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cnn(C)n1 1111141381 VUTBHZHVUWENEH-WZRBSPASSA-N 318.381 -0.548 30 20 DBED CCOCC(=O)NC[C@H]1COCCN1c1ccnc(C#N)n1 1111651002 JLESBTMBZPGWHQ-NSHDSACASA-N 305.338 -0.294 30 20 DBED CCOCC(=O)NC[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1O 1112691241 DHJBURSMASUTDN-ZYHUDNBSSA-N 305.338 -0.702 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 1112750399 ZQTXNAOJPQCUNB-UHFFFAOYSA-N 300.322 -0.716 30 20 DBED CN(C)CCC(=O)NC[C@@H]1CN(c2nccnc2C#N)C[C@H]1O 1112755198 NELGXXQOHTZCLL-DGCLKSJQSA-N 318.381 -0.787 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)c2nccc(C)n2)CC1 1112814096 GSNLHHVWKIMCRI-ZDUSSCGKSA-N 315.377 -0.319 30 20 DBED CC#CCN1CCN(C(=O)CCNC(=O)c2cnccn2)CC1 1113653188 WRZADCJLJWOWAZ-UHFFFAOYSA-N 315.377 -0.236 30 20 DBED C[C@@H](CC(=O)NC[C@@H](C)N(C)c1cncc(C#N)n1)NC(N)=O 1113720057 MPOAHVDAQWNIJP-VHSXEESVSA-N 319.369 -0.264 30 20 DBED C[C@@H](CNC(=O)Cn1nccn1)N(C)c1ccnc(C#N)n1 1113736763 LEYOMHWZSLDNDC-JTQLQIEISA-N 300.326 -0.419 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@H]2CN(Cc3ncccn3)C[C@H]12 1114158403 WFYOIYAWDOGNRX-RYUDHWBXSA-N 313.361 -0.838 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3ncccc3O)[C@H]2C1 1114164978 ZGDZVKRKCXUTRH-YABSGUDNSA-N 316.361 -0.251 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)c3nn(C)cc3C)[C@H]2C1 1114246353 RSPOXERQFVUNTR-RYUDHWBXSA-N 317.393 -0.309 30 20 DBED CNC(=O)NC(=O)CN1C[C@H]2C(NC(=O)C#CC(C)(C)C)[C@@H]2C1 1114256300 YAPLUHATRCGSPF-GHMZBOCLSA-N 320.393 -0.462 30 20 DBED C#CCOCCC(=O)NC1[C@H]2CN(Cc3ncnn3CC)C[C@H]12 1114265648 GMJPJNSLRFIENC-STQMWFEESA-N 317.393 -0.116 30 20 DBED CNC(=O)CC(=O)NCC1[C@@H]2CN(c3ccnc(C#N)n3)C[C@@H]12 1114531119 WPMIXMSYZURHCD-QWRGUYRKSA-N 314.349 -0.717 30 20 DBED C=C(C)CCN1C[C@H]2C(NC(=O)CC[C@@H]3NC(=O)NC3=O)[C@@H]2C1 1115217106 ODBYCPKTDHHUBT-UTUOFQBUSA-N 320.393 -0.013 30 20 DBED Cc1cc(NC(=O)C(=O)N2C[C@H](C)[C@H](O)C2)nn1CCC#N 1116473988 URBYJDBZSYZDSU-GXSJLCMTSA-N 305.338 -0.117 30 20 DBED N#Cc1nc(=N[C@@H](CO)CNC(=O)c2ccccc2O)cc[nH]1 1121079006 LIFIBPLPJOHJKN-SNVBAGLBSA-N 313.317 -0.321 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)[C@@H]2COCCO2)nc1 1121142218 BFVBTRFMQMXIRR-RYUDHWBXSA-N 306.322 -0.742 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)[C@]2(F)CCOC2)cn1 1122411107 NYYNEIMZGMEGCA-JSGCOSHPSA-N 308.313 -0.029 30 20 DBED C=C(C)CN(CC)C(=O)[C@@H](C)NCCNC(=O)CNC(N)=O 1123263785 OXBAKJJFVMBWIL-LLVKDONJSA-N 313.402 -0.826 30 20 DBED COC[C@H](C)C(=O)N(C)C[C@@H](O)CN=c1cc[nH]c(C#N)n1 1124197561 YMGUGVUOTHROOE-QWRGUYRKSA-N 307.354 -0.716 30 20 DBED CN(C[C@H](O)CNc1ccc(C#N)nn1)C(=O)c1csnn1 1124627957 MAMZIJAUAWBZLR-SECBINFHSA-N 319.350 -0.255 30 20 DBED CN(C[C@@H](O)CNc1nc(Cl)c(C#N)s1)C(=O)C(N)=O 1124704614 RDGWQMMUWJSWKY-YFKPBYRVSA-N 317.758 -0.615 30 20 DBED CN(C[C@H](O)CN(C)c1ccc(C#N)nn1)C(=O)c1cocn1 1124989228 RYZAKWGZEDSACM-LLVKDONJSA-N 316.321 -0.094 30 20 DBED CC(C)C#CC(=O)NCCN[C@H](C)C(=O)NC(=O)NC1CC1 1126833916 HLTYSPMHOKQEMS-LLVKDONJSA-N 308.382 -0.272 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(CCCO)C[C@@H]1n1ccnn1 1128938934 DLLKSLMDFJZHFC-KGLIPLIRSA-N 305.382 -0.195 30 20 DBED C#CCCN[C@@H]1CN(C(=O)c2n[nH]cc2C)C[C@@H]1n1ccnn1 1129830112 UWGJATACCOMEOM-OLZOCXBDSA-N 313.365 -0.012 30 20 DBED C#CCCN[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1n1ccnn1 1130050192 MTYFHISIWLHJRX-MNOVXSKESA-N 300.326 -0.925 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)[C@H]1CCC(=O)NC1 1130706218 XPLMKCUXCGAFAK-ZDUSSCGKSA-N 322.409 -0.581 30 20 DBED C#CCCN1C[C@@H](NC(=O)CCn2ncn(C)c2=O)CC[C@@H]1C 1132199291 HHBJIOHZJQVEPW-KBPBESRZSA-N 319.409 -0.036 30 20 DBED C=CCNC[C@H]1CN(C(=O)CNC(=O)CNC(C)=O)CC[C@H]1C 1132928885 VLQZRCZCEGVNPS-OCCSQVGLSA-N 324.425 -0.501 30 20 DBED C[C@H](CC(=O)NCCNCC(=O)NCC#N)c1cccnc1 1134730949 NFMCTIUVVOXSQG-GFCCVEGCSA-N 303.366 -0.079 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC2(CCN([C@H]3CCNC3=O)C2)C1 1147445788 JBASGXMQXYSYPW-SWLSCSKDSA-N 307.394 -0.264 30 20 DBED C=CCCCN1CCCO[C@@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 1150195370 YXOGHZZEODFVAT-STQMWFEESA-N 310.398 -0.159 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)CNC(=O)[C@H](C)CC)C1 1150732067 XVWOVUZZIQTWEV-ZIAGYGMSSA-N 309.410 -0.011 30 20 DBED C#CCNC(=O)CNCCNC(=O)COc1ccccc1OC 1150896229 BCJBPSORDFXLFJ-UHFFFAOYSA-N 319.361 -0.471 30 20 DBED CN(C)c1ccccc1C(=O)NCCNCC(=O)NCC#N 1153414096 LEMMJFYFRFXQQC-UHFFFAOYSA-N 303.366 -0.288 30 20 DBED C#CCC1(C(=O)NCCCNCc2nc(=O)n(C)[nH]2)CCC1 1159638680 YUUODMUCIXGJOC-UHFFFAOYSA-N 305.382 -0.102 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)c1ccc(OC)nc1 1162125097 RTKWRGFKZQTFOP-GFCCVEGCSA-N 318.377 -0.062 30 20 DBED C#CCNC(=O)CNCC1(CCNC(=O)c2cnns2)CC1 1163600184 QAVMDUQJCCOJBO-UHFFFAOYSA-N 321.406 -0.223 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)CN1CCC[C@H]1C 1166626877 LIZCLIXSORBKEW-ZIAGYGMSSA-N 308.426 -0.296 30 20 DBED C=C(C)CNCC1(CCNC(=O)C[C@H](NC(C)=O)C(N)=O)CC1 1167399546 TXDHAMSZGIXIPK-ZDUSSCGKSA-N 324.425 -0.181 30 20 DBED C#CCNCCCC[C@H](C)NC(=O)C1CC2(C1)NC(=O)NC2=O 1175663919 NHNFXZNZFBBMJV-FZWSLVFFSA-N 320.393 -0.128 30 20 DBED COCC#CCNCCCNC(=O)Cn1c(C)csc1=O 1175858282 GRQPUBPCGDLSMT-UHFFFAOYSA-N 311.407 -0.036 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)CCCC(=O)NC)C1 1182121898 QIGJBYAMMKRAKR-CHWSQXEVSA-N 324.425 -0.216 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)CN(C)C(=O)C(C)C)C1 1182991884 LPLSHIOYDJXHCI-CQSZACIVSA-N 309.410 -0.059 30 20 DBED C[C@@H]1CN(C(=O)Cn2ccc(O)nc2=O)CC[C@@H]1CNCC#N 1184748702 VEMIJXRBYZWUJT-VXGBXAGGSA-N 319.365 -0.453 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)COC[C@@H]2CCOC2)C1 1186040822 HUXHEEOTNQTCKR-HUUCEWRRSA-N 310.394 -0.120 30 20 DBED COCC#CCN1C[C@@H]2CCN(C(=O)c3cnn(C)c3N)[C@@H]2C1 1187585197 VDFINWDZXJMVNK-GXTWGEPZSA-N 317.393 -0.202 30 20 DBED C=CCCN[C@@H]1CCN(C(=O)CNC(=O)Cn2cncn2)C1 1188099155 JBZKAUOPRYOERX-GFCCVEGCSA-N 306.370 -0.839 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)[C@@H]2COCCO2)C1 1188948785 NQJKVFJKAAHRHZ-STQMWFEESA-N 311.382 -0.763 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](N(C)Cc2cnsn2)C1 1189761010 SVKUVZAVRRZPKZ-LBPRGKRZSA-N 321.406 -0.290 30 20 DBED CC(C)[C@H](C(=O)N1CC[C@H](N(C)CC(=O)NCC#N)C1)N(C)C 1192190100 LNUNLTJXHUJVKV-DZGCQCFKSA-N 323.441 -0.255 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@H]1CCN(C(=O)c2ccnnc2)C1 1192523003 NXHJBOWMDAAMJR-JSGCOSHPSA-N 315.377 -0.239 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2cc(C)on2)C[C@H]1O 1192886756 YTKUFUYIAWWKQQ-ZIAGYGMSSA-N 307.350 -0.316 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)C(=O)NCC(F)(F)F)C1 1197235541 AYHYNZYVXPIVQE-RKDXNWHRSA-N 309.288 -0.598 30 20 DBED C=CCNC(=O)CNC[C@H]1CN(C(=O)[C@@H](C)C#N)CCCO1 1200116051 SAPDTDSWGNNINI-STQMWFEESA-N 308.382 -0.345 30 20 DBED C#CCNC[C@@H]1CN(C(=O)CCCn2ccnn2)CCCO1 1200680840 VJZZBDWDJXZXNI-CQSZACIVSA-N 305.382 -0.101 30 20 DBED CNC(=O)NCC(=O)N[C@@H]1C[C@@H](NCC#CCOC)C12CCC2 1203005406 NULBJIKUHQQJTI-CHWSQXEVSA-N 322.409 -0.418 30 20 DBED CC#CCN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)Cn1ncn(C)c1=O)C2 1204494573 NFKNFKDCLJTZJP-MGPQQGTHSA-N 317.393 -0.426 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(CC(=O)NCC2CC2)C[C@H]1C 1206960006 NRNAQCYYPUJIMC-UKRRQHHQSA-N 321.421 -0.011 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)CSCC#N)C1 1207431471 QVPBTROGCCOTBR-CHWSQXEVSA-N 322.434 -0.038 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1 1207819991 NGYVXQYLIVPMLG-GFCCVEGCSA-N 314.349 -0.280 30 20 DBED COCC#CCN[C@H]1CCCN(C(=O)CN2CCOCC2)C1 1207828322 AUOAKIKEKKESNP-HNNXBMFYSA-N 309.410 -0.451 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)C2(C)CC=CC2)[C@H](OC)C1 1213372454 HPUCPKRVVVKBMF-ZIAGYGMSSA-N 319.405 -0.093 30 20 DBED C#CCN1C[C@@H](NC(=O)CO[C@@H](C)c2nccn2C)[C@H](OC)C1 1213793490 CGKVDMZULZWYGJ-BFHYXJOUSA-N 320.393 -0.054 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)Cn2cc(C)cn2)C[C@H]1C 1214238679 XJQONTBCRUDHGG-ZIAGYGMSSA-N 319.409 -0.070 30 20 DBED C#CCOCCC(=O)N1CCO[C@@H]2CN(C[C@@H]3CCOC3)C[C@@H]21 1217886421 GIMMPAXGIMNHFC-HRCADAONSA-N 322.405 -0.026 30 20 DBED N#CCSCC(=O)N[C@@H]1CN(C[C@@H]2CCCOC2)C[C@@H]1O 1219219831 OZAMNRJUJGBNHJ-XQQFMLRXSA-N 313.423 -0.169 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)CC(F)(F)F)C1 1219306349 PDRHBKPVWMGLMT-BBBLOLIVSA-N 321.299 -0.762 30 20 DBED C=CCOCCCC(=O)N[C@@H]1CN([C@H](C)C(=O)NC)C[C@@H]1O 1219426524 HFVWDVXSFVCBMF-UPJWGTAASA-N 313.398 -0.735 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1 1219845794 SQDIVWFPUQVGOM-ILXRZTDVSA-N 311.426 -0.616 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)CCCn2ccnc2)C1 1221161331 GYONASSBIFPSJX-CABCVRRESA-N 320.393 -0.526 30 20 DBED C=CCN1CC[C@@H]2CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)C[C@@H]21 1223622284 OBMJWMUERFZOSL-RDBSUJKOSA-N 322.409 -0.525 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC(NC(=O)c2cn(C)nn2)CC1 1227152041 RCFUOJKAFIYQLH-NSHDSACASA-N 318.381 -0.853 30 20 DBED CC[C@@H]1CCO[C@@H]1C(=O)N(C)C[C@@H]1CCN1CC(=O)NCC#N 1235493297 YYFCUWUOIOYSFU-IPYPFGDCSA-N 322.409 -0.026 30 20 DBED N#CCC1CCN(C(=O)C(=O)NCCNC(=O)C2CC2)CC1 1257519507 CLIKYJZTTZHWCE-UHFFFAOYSA-N 306.366 -0.219 30 20 DBED CCS(=O)(=O)CCNC(=O)C(=O)NCC1(CC#N)CC1 1258105852 RJLQOIOGZLINTH-UHFFFAOYSA-N 301.368 -0.653 30 20 DBED C=CCCC[C@H](C)NC(=O)C(=O)NCCCN1C(=O)CNC1=O 1258248087 NRUPSJQKZLAHAQ-NSHDSACASA-N 324.381 -0.095 30 20 DBED C#CC1CCN(C(=O)C(=O)N2CCN([C@H]3CCOC3)CC2)CC1 1261622781 GNCXHHDDJRFUPS-HNNXBMFYSA-N 319.405 -0.209 30 20 DBED C#Cc1ccc(NC(=O)C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 1262675303 HAIYZTQPFGFXEB-LBPRGKRZSA-N 306.343 -0.090 30 20 DBED C#CCOCCC(=O)N1CC[C@H](NCCCS(C)(=O)=O)C1 1265903028 ARSDJCABKPWDCR-ZDUSSCGKSA-N 316.423 -0.349 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)Nc1cc(C)n(CC(=O)NC)n1 1320304232 WBQWGOKHZKLALL-JTQLQIEISA-N 323.353 -0.807 30 20 DBED C=CCCOCCNC(=O)C(=O)N[C@@H]1CC(=O)N(C(C)C)C1 1322244786 ISUSGQXFQNQACQ-GFCCVEGCSA-N 311.382 -0.179 30 20 DBED C=CC[C@@H](CC)NC(=O)C(=O)NCCCN1C(=O)CNC1=O 1324445703 CGUUGCPWHZTDMM-SNVBAGLBSA-N 310.354 -0.485 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCc2cccnn2)C1=O 1324667640 KFUXSWPWIJQODV-UHFFFAOYSA-N 303.278 -0.930 30 20 DBED Cc1nccc(CNC(=O)C(=O)N2CC[C@](O)(CC#N)C2)n1 1326397332 NIBLTUKTUUAKRL-CQSZACIVSA-N 303.322 -0.722 30 20 DBED C=CCOCCNC(=O)C(=O)N1CCC2(CC1)CNC(=O)C2 1327053237 RKHIJWPTIOBUGP-UHFFFAOYSA-N 309.366 -0.566 30 20 DBED C#C[C@H](NC(=O)C(=O)N(C)Cc1cn(C)nn1)[C@H]1CCCO1 1329031997 WBTSLEUJCGRDSO-NWDGAFQWSA-N 305.338 -0.930 30 20 DBED N#CC1(NC(=O)[C@H]2CCCN(S(N)(=O)=O)C2)CCOCC1 1330899782 HOXPXPJUFXSTCP-JTQLQIEISA-N 316.383 -0.909 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)C(=O)NCC2SCCS2)C1 1333454479 CXZQRSUJUYUFBT-GFCCVEGCSA-N 315.420 -0.214 30 20 DBED C=CCS(=O)(=O)CCn1nnnc1N(C)CCOCC 1337290090 CDMMGIKJKRHDKD-UHFFFAOYSA-N 303.388 -0.253 30 20 DBED CN1C(=O)CN(NC(=O)C(=O)Nc2ccc(C#N)cc2F)C1=O 1338724104 NTGSRSHVSLINHY-UHFFFAOYSA-N 319.252 -0.439 30 20 DBED C#CCNCC(=O)NCCOc1ccc(S(C)(=O)=O)cc1 1340047889 HADLZAQFABSWCV-UHFFFAOYSA-N 310.375 -0.192 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H]1CNC(=O)CCn1cnnn1 1387377835 PNNSYFASFUVGPO-WDEREUQCSA-N 305.342 -0.670 30 20 DBED CCNC(=O)NC(=O)[C@H](C)NCCN(CC)C(=O)[C@@H](C)C#N 1392443873 WHFCCBUFUCSUEO-QWRGUYRKSA-N 311.386 -0.182 30 20 DBED COc1c[nH]c(C(=O)NCC2(NC(=O)[C@H](C)C#N)CC2)cc1=O 1400626373 FVLFXMHEPCIQME-SECBINFHSA-N 318.333 -0.078 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(Cc2nnn(C(C)(C)C)n2)C1 1407398432 MXFRBGDROLPTBN-SNVBAGLBSA-N 321.385 -0.749 30 20 DBED CC(C)n1ccc(CC(=O)NC[C@@H](O)CNC(=O)[C@@H](C)C#N)n1 1410150978 MNXUTEMSJMMYAS-WCQYABFASA-N 321.381 -0.241 30 20 DBED CS(=O)(=O)CCS(=O)(=O)NCC1(C#N)CCOCC1 1413468702 NDBHCUYTADZGAI-UHFFFAOYSA-N 310.397 -0.729 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CN(C)C(=O)CCc1cncn1C 1425853298 LCCLAPJKRKKGIE-YPMHNXCESA-N 321.381 -0.552 30 20 DBED C[C@@H](C#N)C(=O)NCC1CN(C[C@@H](C)CS(C)(=O)=O)C1 1438110738 IYMSKBNZIYRBND-MNOVXSKESA-N 301.412 -0.125 30 20 DBED CC(C)[C@@]1(CO)CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)C1 1450551935 MFRHJFJZXQIDLZ-HNNXBMFYSA-N 320.349 -0.312 30 20 DBED COc1cc(C(=O)NC2(CNC(=O)[C@H](C)C#N)CC2)nn1C 1459092968 AKFRGNIWBJXACC-SECBINFHSA-N 305.338 -0.033 30 20 DBED N#CCNC(=O)CN1CCC[C@@H](NC(=O)CO[C@@H]2CCOC2)C1 1479904213 YUCVMIMGNKMDTA-CHWSQXEVSA-N 324.381 -0.988 30 20 DBED C=CCNC(=O)CN1CCC[C@@H](NC(=O)[C@H]2CCNC2=O)C1 1490445270 IHGWZMZRHJIARA-NEPJUHHUSA-N 308.382 -0.995 30 20 DBED C[C@@H](C#N)C(=O)NCCN1CCN(C(=O)[C@@H]2CCN(C)C2)CC1 1493185782 VIZAQNNNOLOKGR-UONOGXRCSA-N 321.425 -0.642 30 20 DBED C#CCCN1CCC[C@@H](NC(=O)CCc2nnc(O)nc2O)C1 1566624950 ORYGKOKYXSFSOL-LLVKDONJSA-N 319.365 -0.181 30 20 DBED CC#CCNC[C@@H]1CCCCN1C(=O)CN1CC(=O)N(C)C1=O 1566951089 BSOFAUNEOCTWNZ-ZDUSSCGKSA-N 320.393 -0.126 30 20 DBED C#CCOCCC(=O)N1C[C@@H]2CCN(C(=O)CNC(=O)O)[C@@H]2C1 1573311774 YCEIQIQHNBLNHM-NWDGAFQWSA-N 323.349 -0.647 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC3(CCNCC3)C2)C1=O 1574935648 LFBBEGWLQPTFHD-UHFFFAOYSA-N 320.349 -0.825 30 20 DBED C#CCN(CC(=O)O)[C@@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 1588420174 ORHXOZXPBWUOED-QWRGUYRKSA-N 316.379 -0.960 30 20 DBED N#Cc1ccsc1NC(=O)C(=O)N1CCO[C@@H](C(=O)O)C1 1594631622 JWOWZVFQYSVLAN-MRVPVSSYSA-N 309.303 -0.130 30 20 DBED CCN(C[C@@H](C)C#N)C(=O)CN1CCC[C@@H]1C(=O)NCC(=O)O 1596229736 HHJWWNDRAGXMCZ-NWDGAFQWSA-N 324.381 -0.340 30 20 DBED CC(C)(C)OC(=O)NCCOCC(=O)N(CC#N)CC(=O)O 1603461376 IQOTXHVFRHOUCS-UHFFFAOYSA-N 315.326 -0.036 30 20 DBED C[C@H]1COCCN1CCn1c(N)nc(C#N)c1-c1nn[nH]n1 1603948548 NZPNHCYCXJMETE-QMMMGPOBSA-N 303.330 -0.762 30 20 DBED Cn1cc(CNS(=O)(=O)c2ccc(C#N)cc2C(=O)O)nn1 1608113568 GNIXCVADSGUNGY-UHFFFAOYSA-N 321.318 -0.137 30 20 DBED N#Cc1cc(C(=O)NC2(C(=O)O)CCS(=O)(=O)CC2)co1 1608194356 UPZQWXHECPBTCZ-UHFFFAOYSA-N 312.303 -0.087 30 20 DBED C#CC[C@H](NC(=O)c1ccc(-c2nn[nH]n2)c(C)n1)C(=O)OC 1609020250 WANQTPIIYCHVDG-NSHDSACASA-N 314.305 -0.135 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)C1 1665563718 OXLAFBDOGWXQND-CQSZACIVSA-N 320.437 -0.199 30 20 DBED N#CCNC(=O)CN1CCC[C@@H](CNC(=O)C2CCOCC2)C1 1752776436 UGQKQOGRKNTXRR-ZDUSSCGKSA-N 322.409 -0.119 30 20 DBED C#CCCCC(=O)NC[C@H]1CCCN(CC(=O)NC(N)=O)C1 1752781051 KJYNWTBPPXNWHZ-GFCCVEGCSA-N 308.382 -0.187 30 20 DBED CO[C@@H](C(=O)N1CCC[C@H](N(C)CC(=O)NCC#N)C1)C1CC1 1752990014 NYYLZILNWQVPMG-DZGCQCFKSA-N 322.409 -0.026 30 20 DBED C#CCNC(=O)[C@@H](C)N(CC)CCNC(=O)Cc1[nH]cnc1C 1753093688 FRDYKMNBAVWNFI-CYBMUJFWSA-N 319.409 -0.163 30 20 DBED Cc1cncc(CC(=O)N[C@H](C)CNCC(=O)NCC#N)c1 1754236722 RHESSEHTAPCKJM-GFCCVEGCSA-N 303.366 -0.333 30 20 DBED C=CCNC(=O)NC(=O)CNC[C@H](C)NC(=O)c1cc(C)[nH]n1 1754259509 YIONEWMZJDUZJH-JTQLQIEISA-N 322.369 -0.562 30 20 DBED C#CCN1CCC(C(=O)N[C@@H](C)CNCc2nncn2C)CC1 1754296227 FKMVRFVCHFFJCA-ZDUSSCGKSA-N 318.425 -0.245 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CNC(=O)Cn1cc(C)cn1 1754474651 CUNVHTBZONYLFH-CYBMUJFWSA-N 303.366 -0.869 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@]1(O)CCN(Cc2nccn2C)C1 1754751543 OEQBXHASUYIIOG-BBRMVZONSA-N 320.393 -0.489 30 20 DBED C#CCCN1CC(O)(CNC(=O)[C@H]2CC(=O)N(CC(C)C)C2)C1 1754768632 VPOXBPHAECWLHH-AWEZNQCLSA-N 321.421 -0.323 30 20 DBED CC#CCN1CC(O)(CNC(=O)c2c(O)nnc(C)c2C)C1 1754771807 MUZHFRVOYWSOFY-UHFFFAOYSA-N 304.350 -0.401 30 20 DBED COc1ncc(C(=O)N[C@]2(CO)CCCN(CC#N)C2)cn1 1754858649 FUSQHGCQMXKVDY-CQSZACIVSA-N 305.338 -0.435 30 20 DBED C#CCNC(=O)CNC1(CNC(=O)[C@@H](C)NC(=O)CC)CCC1 1754983416 SKJDVMSEKJDTFG-GFCCVEGCSA-N 322.409 -0.721 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC(C)(NCC(=O)NC(N)=O)CC1 1755127415 GJZRXGKCEIHNHJ-NSHDSACASA-N 324.381 -0.810 30 20 DBED COCC#CCN1CC(N2CCN(C(=O)c3cnco3)CC2)C1 1755145746 ZHRXEJYNJKOHOJ-UHFFFAOYSA-N 318.377 -0.234 30 20 DBED CC(=O)N1CC[C@](C)(C(=O)N2CCC(O)(CNCC#N)CC2)C1 1755155242 WGZGAOVGOJFSJM-HNNXBMFYSA-N 322.409 -0.288 30 20 DBED CC#CCN1C[C@H]2[C@H](CNC(=O)[C@@H](C)N3C(=O)CCC3=O)[C@H]2C1 1755423454 AGUBQGRVWZPTOZ-SYQHCUMBSA-N 317.389 -0.159 30 20 DBED C=CCNC(=O)CN(C)C[C@@H](O)CN(C)C(=O)c1cnco1 1755802623 DXPVHCLZWOWVFE-LLVKDONJSA-N 310.354 -0.659 30 20 DBED C#CCCCC(=O)NC1CC(CNC(=O)[C@H]2COC(=O)N2)C1 1755933671 BWPZCEGLYLIFMA-HTAVTVPLSA-N 307.350 -0.091 30 20 DBED C=CCCC(=O)N1CC(CCO)(NC(=O)CNC(=O)OC)C1 1756078381 MGJUAFLXIDIGEF-UHFFFAOYSA-N 313.354 -0.612 30 20 DBED C=CCCC(=O)N1CC(CCO)(NC(=O)CCNC(N)=O)C1 1756081760 CBAPXELTFHDUHC-UHFFFAOYSA-N 312.370 -0.909 30 20 DBED C#CCC1(C(=O)N[C@@H](CO)CNC(=O)[C@H]2CCC(=O)N2)CCC1 1756520512 XWEPTZJRNGTYHV-VXGBXAGGSA-N 321.377 -0.948 30 20 DBED C#CCCCC(=O)NC[C@H](O)CN(C)C(=O)c1cn(C)cn1 1756658915 BXWKILBKRZAODK-LBPRGKRZSA-N 306.366 -0.227 30 20 DBED C#CCOCCC(=O)N(C)C[C@H](O)CNC(=O)C(C)(F)F 1756663289 OJQHFLXKZLYGDV-SNVBAGLBSA-N 306.309 -0.383 30 20 DBED N#CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cnnn1 1796293843 NQMROLDSGRVAGR-JGPRNRPPSA-N 303.326 -0.775 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](N)[C@H](C)CC)C2 1800452102 UVNCQRCBYKIBIS-RKEKIRQTSA-N 307.394 -0.417 30 20 DBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)/C(C)=C/OC)C2)C1 1839808293 OZFFAQGUTKBFIN-WQMJKPAKSA-N 322.361 -0.374 30 20 DBED N#CCC(=O)N1CC2(CCCN2C(=O)c2cccc(=O)n2O)C1 1842210743 BVDXANRQDBEWRW-UHFFFAOYSA-N 316.317 -0.184 30 20 DBED Cn1nncc1C(=O)N1CC2(CCCN2C(=O)C2(C#N)CC2)C1 1842807218 ZHNQOWTXAJCNER-UHFFFAOYSA-N 314.349 -0.064 30 20 DBED NCC(=O)N1CCCC12CN(C(=O)/C=N/N1CCCCC1)C2 1842877332 ICANZTAYIIWKNQ-LICLKQGHSA-N 307.398 -0.380 30 20 DBED C=CCC(=O)N1CC2(CCCN2C(=O)C[C@H](NC)C(=O)O)C1 1842954813 OOOBNYYUTUQRJU-NSHDSACASA-N 309.366 -0.171 30 20 DBED C=CCCOCCNC(=O)CN(C)[C@@H]1CCS(=O)(=O)C1 129625432 SKYOSJDTJCDBDZ-GFCCVEGCSA-N 304.412 -0.186 30 20 DBED N#CCc1ccc(S(=O)(=O)N[C@H](CC(=O)O)C(=O)O)cc1 166504433 DNPJBQSZRXBYKH-SNVBAGLBSA-N 312.303 -0.041 30 20 DBED N#CCC1(O)CN(S(=O)(=O)c2cc(Cl)cnc2N)C1 189061810 KDJAHKADEOZFSR-UHFFFAOYSA-N 302.743 -0.034 30 20 DBED C=C1CCN(CC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 264500501 CQAXURFNYZIORB-NSHDSACASA-N 315.395 -0.349 30 20 DBED N#Cc1ccccc1OCC(=O)NCCN1CCNC(=O)C1 272770430 QQNRZICDGNDCGS-UHFFFAOYSA-N 302.334 -0.515 30 20 DBED C#Cc1cccc(NC(=O)C(=O)NCCN2CCNC(=O)C2)c1 272957161 PDDRXTZJPMMXJG-UHFFFAOYSA-N 314.345 -0.846 30 20 DBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[C@](C)(C(N)=O)C1 292353351 QGKQZMKSJQRYEA-MKBNYLNASA-N 323.393 -0.192 30 20 DBED CCOC(=O)CN(CC(N)=O)C(=O)c1ccc(C#N)c(C)n1 299619811 DMTOGCAZTHBHAO-UHFFFAOYSA-N 304.306 -0.248 30 20 DBED CN1CCC[C@@H]1/C(O)=N/[C@H]1CC(=O)N(CCN2CCOCC2)C1 329763604 UTQPESSXYRZUQG-UONOGXRCSA-N 324.425 -0.030 30 20 DBED Cn1nnc(C/N=C(/O)N2CCN(c3ccccn3)CC2)n1 330247517 YXXZINIWYYNRRM-UHFFFAOYSA-N 302.342 -0.159 30 20 DBED C[C@@H](CCO)N/C(O)=N/CC1CCN(S(C)(=O)=O)CC1 330433228 OUBOUINGABIILN-JTQLQIEISA-N 307.416 -0.068 30 20 DBED C[C@@H](C#N)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 330685675 RRFHKZLQCCAVNB-VIFPVBQESA-N 312.351 -0.323 30 20 DBED Cc1ccn(C[C@](C)(O)C(=O)N2CC(O)(CC#N)C2)c(=O)c1 332489570 SJIKDDMLGRBLDR-AWEZNQCLSA-N 305.334 -0.605 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CCOC[C@@H]1C[C@@H](C)O 336948027 PZWPHMVJVOJTQH-NEPJUHHUSA-N 305.400 -0.062 30 20 DBED C=CCNc1ncc(C(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)s1 343943322 JMJZPWWBCMKVAA-QMMMGPOBSA-N 321.362 0.117 30 20 DBED N#CCNC(=O)CNC(=O)N[C@H]1CCN(c2ccccn2)C1 345504578 ZSELALNOQQXKEA-NSHDSACASA-N 302.338 -0.401 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2C[C@H]2C(F)F)C1=O 345799932 IZJWDEWTOXYGJA-RQJHMYQMSA-N 301.249 -0.267 30 20 DBED Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC(=O)NCC#N 352530427 OBPKHFBAQXTMIS-UHFFFAOYSA-N 312.307 -0.179 30 20 DBED C[C@H]1CN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C[C@H]1O 355529215 KJFPZZNHWOAJHO-GXFFZTMASA-N 323.374 -0.324 30 20 DBED CS(=O)(=O)C1(CNC(=O)CNc2ccc(C#N)cn2)CC1 357286881 GJRGABBFLGLEQK-UHFFFAOYSA-N 308.363 0.059 30 20 DBED C=CCOC[C@H](NS(=O)(=O)c1ccnn1C)C(=O)OC 360619021 KJNOWOGLINGVQC-VIFPVBQESA-N 303.340 -0.557 30 20 DBED C=CCNC(=O)CNC(=O)N1CCC[C@H](S(=O)(=O)NC)C1 367766931 GYKNMECKVTZHBR-JTQLQIEISA-N 318.399 -0.988 30 20 DBED CN(C)S(=O)(=O)c1ccc(O)c(C(=O)NCC#CCO)c1 412325099 SLALWEZKJAQMQU-UHFFFAOYSA-N 312.347 -0.632 30 20 DBED CC[C@]1(O)CCN(C(=O)C(=O)Nc2ccn(CCC#N)n2)C1 427326609 HKWWFBVHKSPTEB-AWEZNQCLSA-N 305.338 0.109 30 20 DBED C#C[C@@H](CC)NC(=O)NCCNS(=O)(=O)Cc1ccon1 491543759 IGSAJVLJZSEQQI-JTQLQIEISA-N 314.367 -0.195 30 20 DBED CS(=O)(=O)N1CC[C@@H](CNC(=O)c2ccc(C#N)cn2)C1 533576254 SEJMOQPLGULGKT-NSHDSACASA-N 308.363 -0.035 30 20 DBED CC(C)[C@@H](C#N)N1CCN(C(=O)CN(C)[C@@H]2CCNC2=O)CC1 538131686 CEKCUYSSRXZLQM-ZIAGYGMSSA-N 321.425 -0.501 30 20 DBED C[C@H](C(=O)N(C)CC(=O)N[C@@]1(C#N)CCOC1)n1cccn1 547811215 PFIVXDQTFIOFGY-BXUZGUMPSA-N 305.338 -0.299 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCN(C(=O)N(C)C)CC1 548820104 KRJUCEAAMXDBPF-NSHDSACASA-N 317.415 -0.378 30 20 DBED COC(=O)c1cncc(S(=O)(=O)N2CCOC[C@@H]2C#N)c1 559452656 UQTZJMJHNWZEDH-JTQLQIEISA-N 311.319 -0.219 30 20 DBED N#CC1(CS(=O)(=O)N2CC[S@@](=O)C[C@H]2C(=O)O)CC1 562322488 SDNQSNDQVNSBST-DCXZOGHSSA-N 306.365 -0.863 30 20 DBED CCN(CCC#N)S(=O)(=O)N[C@@H]1CCc2c(nnn2C)C1 594479020 LYLKKWINZCYAPI-SNVBAGLBSA-N 312.399 -0.258 30 20 DBED N#Cc1cccc(CN2CCC(NC(=O)C3(O)CNC3)CC2)c1 595959780 QRGILHLOSBTDFS-UHFFFAOYSA-N 314.389 -0.027 30 20 DBED CC1(C)C[C@]1(C#N)NC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1 597670241 OQMJIZOJOZEWIE-BXKDBHETSA-N 300.384 -0.290 30 20 DBED CC(C)C[C@@H](C#N)NC(=O)C1CCN(S(N)(=O)=O)CC1 608825661 PXNDYVVUONUFGT-NSHDSACASA-N 302.400 -0.044 30 20 DBED CC#CC[C@H](CO)NC(=O)C(=O)Nc1ccc(C(N)=O)c(C)c1 646953008 QWPHEAHMCJRPMY-GFCCVEGCSA-N 317.345 -0.077 30 20 DBED C=C[C@@](C)(O)C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 668591983 GQCOSEVRHVTXQK-WCQYABFASA-N 320.411 -0.472 30 20 DBED C=CCNC(=O)CNC(=O)Cn1nc(-c2ccccc2)oc1=O 679119368 JZALWNCQKAFQTK-UHFFFAOYSA-N 316.317 -0.078 30 20 DBED CC#CCCNC(=O)NCCN1CCN(S(C)(=O)=O)CC1 681512663 JLVFDMGBSXIBOL-UHFFFAOYSA-N 316.427 -0.724 30 20 DBED COCCN(C)S(=O)(=O)NCCNc1ncccc1C#N 732217643 BMRNYRPEVGFHEY-UHFFFAOYSA-N 313.383 -0.222 30 20 DBED C=C(Cl)CNC(=O)NCCS(=O)(=O)N1CCOCC1 736399073 PBEIMFBLNCXOPC-UHFFFAOYSA-N 311.791 -0.300 30 20 DBED COCCN1CCN(Cn2ccc(C)c(C#N)c2=O)CC1=O 758249747 SRSHNRNITRYXPA-UHFFFAOYSA-N 304.350 -0.224 30 20 DBED C#Cc1ccc(C(=O)NCCNS(=O)(=O)NC(C)C)cn1 760623493 OWZFJLSDGWVVQZ-UHFFFAOYSA-N 310.379 -0.375 30 20 DBED C#C[C@@H](NC(=O)N1CCN(CC(=O)N(C)C)CC1)[C@@H]1CCCO1 776228036 NWPQGGASZCUDKG-KGLIPLIRSA-N 322.409 -0.417 30 20 DBED C#CCC[C@@H](O)CNS(=O)(=O)N1CCC[C@@H]1C(=O)OCC 798486625 SMBHVONDEGUNIG-VXGBXAGGSA-N 318.395 -0.377 30 20 DBED CN(CC(=O)NCCC#N)Cc1ccccc1S(N)(=O)=O 814654254 JBRJPLKKECXJGJ-UHFFFAOYSA-N 310.379 -0.204 30 20 DBED C#C[C@H](NC(=O)NCc1nc(O)cc(CN)n1)[C@H]1CCCO1 851658517 CTEBCHOZMRHYBA-WDEREUQCSA-N 305.338 -0.379 30 20 DBED C#CCN(C)CCCNC(=O)CCn1cnc2c(N)ncnc21 854664161 OEVBFBORPFRNNH-UHFFFAOYSA-N 315.381 -0.130 30 20 DBED N#Cc1ccccc1OC[C@H](O)CNC[C@H]1CC(C(N)=O)=NO1 863554849 JLXNTHOOPOQHIF-VXGBXAGGSA-N 318.333 -0.482 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCS(=O)(=O)N1CCCC1 888860445 MJKJHSUFLQRDLJ-ZDUSSCGKSA-N 313.423 -0.374 30 20 DBED C#CC1(O)CN(S(=O)(=O)Cc2ccccc2C(=O)OC)C1 908232718 UTWWFBBSFAIHOV-UHFFFAOYSA-N 309.343 -0.017 30 20 DBED CN(C)CC#CCNC(=O)CCN1C(=O)NC2(CCCC2)C1=O 913515302 QZBYTFBKWZFOFN-UHFFFAOYSA-N 320.393 -0.078 30 20 DBED CN(C)CC#CCNC(=O)c1cn(C)c2c(cnn2C)c1=O 913521523 CLFKEWKWKBMYHM-UHFFFAOYSA-N 301.350 -0.433 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](C)[C@H](O)CC)CC1 913789148 YIJKPNKPSRDUMB-VXGBXAGGSA-N 317.411 -0.995 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)Cn3nccn3)C2)nc1 941882138 RICVEFPTSDBESB-CYBMUJFWSA-N 324.344 -0.315 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2CCCN2C(=O)CC(N)=O)nc1 943920373 SYXXDBWVMQXJOY-GFCCVEGCSA-N 314.345 -0.341 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)C1 945053078 CQDPBLLKKZQMTL-UTUOFQBUSA-N 318.377 -0.282 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)CC[C@@H]1NC(=O)Cn1ncnn1 945319518 VBYCEAFITQQOIH-YPMHNXCESA-N 316.365 -0.560 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2CCCN(C(=O)C(N)=O)C2)c1 951856040 KRQWFQFEVDDCOM-GFCCVEGCSA-N 300.318 -0.731 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]1CNC(=O)c1ccc(=O)n(C)n1 952185749 YQIIUOGCWXSWBI-NXEZZACHSA-N 303.322 -0.729 30 20 DBED C=CCN1C[C@@H](O)[C@@H](CNC(=O)c2ccnc3ccnn23)C1 958135554 PCWPQLPWBZDUIV-WCQYABFASA-N 301.350 -0.062 30 20 DBED N#CCN1C[C@@H](O)[C@H](CNC(=O)c2ccc3nc(O)[nH]c3n2)C1 958345712 QUFNOQMKGCBTHM-LDYMZIIASA-N 316.321 -0.790 30 20 DBED Cc1ncc(C(=O)N(C)[C@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)[nH]1 958745764 JPZCMTFBCUNRDJ-UWJYBYFXSA-N 305.338 -0.479 30 20 DBED CN(C(=O)Cn1ccnc1)[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 958881116 HLMKWUAVVDCPNM-KBPBESRZSA-N 316.361 -0.673 30 20 DBED Cn1nnc(C(=O)NC2[C@@H]3CN(Cc4ccc(C#N)cc4)C[C@@H]23)n1 961504609 KJRBHIPBLJIGSK-CHWSQXEVSA-N 323.360 -0.058 30 20 DBED N#Cc1c[nH]c(C(=O)N2C[C@H](O)[C@H](NC(=O)c3cc[nH]n3)C2)c1 961658940 OWHYKYYOSNHDCS-NEPJUHHUSA-N 314.305 -0.775 30 20 DBED C=C(C)CN1C[C@H]2[C@H](NC(=O)CN3CCC(=O)NC3=O)[C@H]2C1 962219200 RTENYRGDXBRXQD-YABSGUDNSA-N 306.366 -0.449 30 20 DBED C[C@H](C#N)C(=O)N1CC2(C[C@H](NC(=O)c3ccn(C)n3)CO2)C1 965710592 QTBJYUAGDNCXJG-MNOVXSKESA-N 317.349 -0.321 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1[C@H]2CC[C@H]1CN(C(=O)COC)C2 969288749 NIVFAUWLALKNJK-KKUMJFAQSA-N 319.405 -0.068 30 20 DBED C=C(C)CN1CCO[C@@]2(CCN(C(=O)Cn3ncnn3)C2)C1 972380062 CNIZRUQHCZXXFH-AWEZNQCLSA-N 306.370 -0.448 30 20 DBED N#CCN1CCO[C@@]2(CCN(C(=O)CN3CCCCC3=O)C2)C1 972447627 SMRCFNHUJLZMNE-INIZCTEOSA-N 320.393 -0.174 30 20 DBED C#CCCN1CCO[C@]2(CCN(C(=O)c3nnn(C)n3)C2)C1 972507224 XZIMGUMWZYUPPT-CQSZACIVSA-N 304.354 -0.850 30 20 DBED C#CCCN1C[C@H](NC(=O)c2cn(CC(N)=O)nn2)C(C)(C)C1 977622768 SKWXQKCZOYCFLC-LBPRGKRZSA-N 318.381 -0.773 30 20 DBED CC#CCN1CCCN(C(=O)[C@@H]2Cc3cncn3C(=O)N2)CC1 981673088 FMNPHFFIXMERNY-AWEZNQCLSA-N 315.377 -0.077 30 20 DBED C#CCN1CCCC2(C1)CN(C(=O)c1cnc(O)n(C)c1=O)C2 981927910 SYLNOTKCPKBQRL-UHFFFAOYSA-N 316.361 -0.343 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CCC[C@@H](NC(=O)C(N)=O)C2)c1 983565724 SQSRSIUGMWNHGY-NXEZZACHSA-N 303.322 -0.471 30 20 DBED C=CCN[C@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)[C@H]1C 987357690 ZQCDVPTZAZJLKJ-UWVGGRQHSA-N 302.338 -0.204 30 20 DBED Cc1nc(C(=O)N2C[C@H](NCC#N)C[C@H]2C)nn1-c1nc[nH]n1 989275422 VEVBPSASARRVSI-PSASIEDQSA-N 315.341 -0.590 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)C3CC3)C[C@@H]2O)[nH]1 991403189 PHEDENIMZDZEAO-YPMHNXCESA-N 302.334 -0.012 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)Cc3ncc[nH]3)C2)nc1 997087257 GLNUTBWAOYFCIZ-UHFFFAOYSA-N 309.329 -0.031 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC(CNC(=O)[C@H]3CCC(=O)N3)C2)c1 1001204818 RDCIAGREUBCKAX-LLVKDONJSA-N 315.333 -0.647 30 20 DBED C#Cc1ccc(C(=O)N2CC(CNC(=O)c3cn(C)nn3)C2)cn1 1001714210 BJFRKMYFZGUKDI-UHFFFAOYSA-N 324.344 -0.307 30 20 DBED C=CC(C)(C)C(=O)N1CC(CNC(=O)[C@@H]2CN(C)C(=O)N2)C1 1003570861 RIXWJJVUZNWSOC-NSHDSACASA-N 308.382 -0.203 30 20 DBED C[C@@H](NC(=O)[C@H]1CCC(=O)NC1)C1CN(C(=O)C#CC2CC2)C1 1006375301 NWTVANAYEWIWBC-YPMHNXCESA-N 317.389 -0.111 30 20 DBED CN1CC[C@H](C(=O)NC2[C@H]3CN(C(=O)C#CC4CC4)C[C@H]23)C1=O 1013601426 JCMIVPPUNMZUCL-AGIUHOORSA-N 315.373 -0.549 30 20 DBED C#Cc1cncc(C(=O)NC2[C@H]3CN(C(=O)c4cnn[nH]4)C[C@H]23)c1 1013748030 MCSYMAJXNLFLEC-RYUDHWBXSA-N 322.328 -0.319 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2C(NC(=O)c3cc(C(N)=O)co3)[C@@H]2C1 1013789112 QGGUWYKINALAEA-SZEHBUNVSA-N 316.317 -0.275 30 20 DBED NC(=O)C(=O)N[C@@H]1CCC[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]21 1014579975 FFGFJZOWZYGFON-FRRDWIJNSA-N 303.362 -0.372 30 20 DBED C#CCCN1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnc(O)n(C)c1=O 1017789190 IMMASPVWCXGVIA-TXEJJXNPSA-N 316.361 -0.202 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(C1)CN(C(=O)[C@H]1CN(C)CCO1)C2 1018897987 USYUHTHPLHCSMP-QWHCGFSZSA-N 320.393 -0.462 30 20 DBED COCC(=O)N1CC[C@H]2OCCN(C(=O)C#CC3CC3)[C@@H]2C1 1019832073 AQXVJCZLBREVRI-ZIAGYGMSSA-N 306.362 -0.126 30 20 DBED COCC(=O)N1CCO[C@H]2CCN(C(=O)C#CC3CC3)C[C@H]21 1019879634 MHGNTZJJJLYTPC-KGLIPLIRSA-N 306.362 -0.126 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCCCN1CC(=O)NC 1024488553 ZNVSCQOHAHDJGG-GJZGRUSLSA-N 320.437 -0.199 30 20 DBED Cc1nonc1CC(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1025427759 VTKOXJMRVSZNAS-CHWSQXEVSA-N 318.333 -0.978 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)C[C@H]3CCN(C)C3)C2)C1=O 1031260156 MLXBXUQEUQTXHD-HIFRSBDPSA-N 320.437 -0.085 30 20 DBED C=CCn1cc(C(=O)N(C)[C@H]2CCN([C@@H](CC)C(N)=O)C2)nn1 1033482654 ALZPKJXNVIPVFF-AAEUAGOBSA-N 320.397 -0.126 30 20 DBED C[C@@H](C(N)=O)N1CCO[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 1035325075 AYQZEBCPFNZURB-GXSJLCMTSA-N 305.338 -0.809 30 20 DBED C#CCCN1CCO[C@@H](CNC(=O)[C@@H]2CN(CC)CCO2)C1 1035611254 RKKYMGKACIXJRS-GJZGRUSLSA-N 309.410 -0.453 30 20 DBED C=C(C)CN1CCO[C@H](CNC(=O)[C@@H]2CCCN2C(N)=O)C1 1035623899 JTKRECKNDIGALS-OLZOCXBDSA-N 310.398 -0.077 30 20 DBED C=CCN[C@H]1CCN(C(=O)CN2CCC(=O)NC2=O)C[C@H]1C 1036248390 AXJVUPUBPYDICW-NEPJUHHUSA-N 308.382 -0.059 30 20 DBED CC(C)(C)C#CC(=O)NC[C@@]1(O)CCN(C(=O)c2cnn[nH]2)C1 1039688540 JZBVGQIEHDNSKB-HNNXBMFYSA-N 319.365 -0.453 30 20 DBED CCn1ccc(C(=O)NC[C@@]2(O)CCN(C(=O)[C@@H](C)C#N)C2)n1 1039713545 MSDFJIWRIZGLJO-NHYWBVRUSA-N 319.365 -0.244 30 20 DBED C=CC(C)(C)C(=O)NC[C@@]1(O)CCN(C(=O)c2nc[nH]n2)C1 1040488634 PJGRHRIMMITSQY-AWEZNQCLSA-N 307.354 -0.290 30 20 DBED N#Cc1cnc(N2C[C@@H]3CCN(C(=O)c4cnn[nH]4)[C@@H]3C2)cn1 1040883658 CFEBSLGWYBYFAY-JOYOIKCWSA-N 310.321 -0.183 30 20 DBED Cc1cc(C(=O)N[C@@H]2CN(c3ccnc(C#N)n3)C[C@H]2O)no1 1040897680 CAKDRKBFBUHILD-GHMZBOCLSA-N 314.305 -0.376 30 20 DBED O=C(NCC1(O)CN(C(=O)C#CC2CC2)C1)[C@H]1C[C@H]2CC[C@H]1O2 1042170990 PNSSXGAABVPRBM-HZSPNIEDSA-N 318.373 -0.343 30 20 DBED O=C(C[C@H]1CCOC1)NCC1(O)CN(C(=O)C#CC2CC2)C1 1042245080 NIRQHPSXJKNHJE-CYBMUJFWSA-N 306.362 -0.484 30 20 DBED C[C@@H]1CN(c2ncccc2C#N)C[C@H]1NC(=O)[C@@H]1CNC(=O)N1 1042461071 DJZYMHZVBPKIPC-ADEWGFFLSA-N 314.349 -0.424 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)[C@H](C)OCC#C)C1 1042801957 ZXERYTNFLJSNSI-ZDUSSCGKSA-N 306.362 -0.482 30 20 DBED O=C(C#CC1CC1)NCC1(O)CN(C(=O)[C@@H]2C[C@H]3CC[C@H]2O3)C1 1042958838 NASURVLPYWBMTJ-MGPQQGTHSA-N 318.373 -0.343 30 20 DBED O=C(C#CC1CC1)NCC1(O)CN(C(=O)c2cccc(O)n2)C1 1042958933 PJUUPGPKIBGGIV-UHFFFAOYSA-N 315.329 -0.496 30 20 DBED CC#CCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1042981409 PTRXIUPZFZXUHE-VXGBXAGGSA-N 323.349 -0.465 30 20 DBED N#Cc1cncc(N2C[C@H](O)[C@H](NC(=O)[C@H]3CCCCO3)C2)n1 1043894421 ZNIRFVROHKZHGP-FRRDWIJNSA-N 317.349 -0.417 30 20 DBED N#Cc1cc(C(=O)N2CC(O)(CNC(=O)c3cnco3)C2)c[nH]1 1044118065 DPKLJNALDQWQIP-UHFFFAOYSA-N 315.289 -0.509 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)c2ncccc2F)C1 1045545972 FZJOSMQQPLEVHX-VIFPVBQESA-N 306.297 -0.317 30 20 DBED CCc1c(C(=O)N2CC(O)(CNC(=O)[C@H](C)C#N)C2)cnn1C 1045547178 WNOPVURARDEIKM-SNVBAGLBSA-N 319.365 -0.555 30 20 DBED C#CCN1CC[C@@H](N2CCN(C(=O)[C@]3(C)CCC(=O)N3)CC2)C1 1046060352 BSCHPTPRJDCTCN-PBHICJAKSA-N 318.421 -0.493 30 20 DBED C#Cc1cncc(C(=O)NCC2(O)CN(C(=O)C#CC3CC3)C2)c1 1046337017 LQPVAZMIEGGCCR-UHFFFAOYSA-N 323.352 -0.221 30 20 DBED C=CCCn1cc(C(=O)N[C@]2(C)CCN(CC(N)=O)C2)nn1 1046689334 JLWNKYFFLSIIIO-CQSZACIVSA-N 306.370 -0.466 30 20 DBED CN(C(=O)c1ccnc2c1ncn2C)[C@H]1CN(CC#N)C[C@@H]1O 1047524172 DMDJROQQAAXISC-RYUDHWBXSA-N 314.349 -0.391 30 20 DBED CCC(=O)N1CC[C@H](C(=O)N(C)[C@H]2CN(CC#N)C[C@@H]2O)C1 1047588353 KAIPFNSCFZJVJZ-AVGNSLFASA-N 308.382 -0.728 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2ccccn2)C1 1048032253 RFEQEQCKSVLDDW-KBPBESRZSA-N 319.361 -0.072 30 20 DBED C=CCO[C@@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cnco2)C1 1049126381 ZSVZZUZJLLBBII-SRVKXCTJSA-N 323.349 -0.091 30 20 DBED C#CCCN1C[C@H]2CN(C(=O)CN3CCC(=O)NC3=O)C[C@H]2C1 1049154471 DIMCXZBKUGSMLY-BETUJISGSA-N 318.377 -0.658 30 20 DBED C=CC(C)(C)C(=O)N(C)[C@H]1CN(C(=O)c2cnn[nH]2)C[C@@H]1O 1049180420 GLRFQMMUENJDRD-QWRGUYRKSA-N 307.354 -0.339 30 20 DBED C=C(C)CN1C[C@H]2CN(C(=O)CN3C(=O)CN(C)C3=O)C[C@H]2C1 1049205468 NRBGPKDMVPIYBE-BETUJISGSA-N 320.393 -0.153 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@H](CNCc2ncnn2CCF)C1 1051495659 WGWFGZCOKAQMAM-NWDGAFQWSA-N 324.360 -0.276 30 20 DBED N#Cc1ccc(N2CC[C@H](NC(=O)c3cc[nH]n3)[C@@H](O)C2)nn1 1051611147 DQRGCUADPSQIBL-JQWIXIFHSA-N 313.321 -0.559 30 20 DBED CN1CCO[C@H](C(=O)N2CC[C@H](N3CCN(CC#N)CC3)C2)C1 1052001263 TYDJRQFWCURRBH-GJZGRUSLSA-N 321.425 -0.941 30 20 DBED C[C@@H]1CN(C(=O)Cc2nc[nH]n2)C[C@@H]1CNC(=O)C#CC1CC1 1053480123 UOSHTVQARDGTEG-YPMHNXCESA-N 315.377 -0.029 30 20 DBED C#CCN1CC2(C1)CN(C(=O)[C@@]1(C)CCN(C(C)=O)C1)CCO2 1053501732 XZLFYDYLWDJCFS-INIZCTEOSA-N 319.405 -0.209 30 20 DBED Cc1[nH]nc(C(=O)NC[C@H]2CCC3(CN(CC#N)C3)O2)c1O 1053590264 DBSBUCLJRQKAIS-SNVBAGLBSA-N 305.338 -0.090 30 20 DBED CN1CCOC[C@H]1C(=O)NC[C@@H]1CCC2(CN(CC#N)C2)O1 1053591684 AULFDPPOFQUVPF-STQMWFEESA-N 308.382 -0.810 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2COC3(C2)CN(CC(N)=O)C3)nc1 1053984885 FMOCNDPXXBWTTF-LBPRGKRZSA-N 314.345 -0.879 30 20 DBED C=CCCC(=O)N[C@@]1(CO)CCCN(C(=O)c2cnn[nH]2)C1 1055825557 KJCIAUPENPMJFM-AWEZNQCLSA-N 307.354 -0.146 30 20 DBED C[C@H](C(=O)N1CCN(c2nccnc2C#N)CC1)S(C)(=O)=O 1056072399 WWCJNEKPTNVXTL-SNVBAGLBSA-N 323.378 -0.570 30 20 DBED Cn1cnc(C(=O)NC2[C@@H]3CN(c4ccc(C#N)nc4)C[C@@H]23)n1 1056203993 WJMDTVAXSQHMMM-VXGBXAGGSA-N 309.333 -0.054 30 20 DBED N#Cc1nccc(N2C[C@H]3[C@H](NC(=O)Cc4ncc[nH]4)[C@H]3C2)n1 1056276714 PDCALULJKGKLQZ-RTUWITSCSA-N 309.333 -0.135 30 20 DBED C=CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)CCOC 1056732954 FPCREVNQLKVMKF-LBPRGKRZSA-N 302.371 -0.449 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)Cc1ccn(C)n1 1057517608 YPEHKUCRJLLXGK-UHFFFAOYSA-N 320.393 -0.441 30 20 DBED N#Cc1ccc(N[C@H]2CCCN(C(=O)[C@H]3CNC(=O)N3)C2)nn1 1057748543 LEONEAPYOKKGNG-WDEREUQCSA-N 315.337 -0.567 30 20 DBED C=CCO[C@H](C)C(=O)N(CCO)CCNC(=O)CC(C)(C)O 1057922172 YREMKRFQYDUDGR-GFCCVEGCSA-N 316.398 -0.324 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)CN1CC[C@@H](C)C1 1058659263 WCPSNLFNCUTQRD-OLZOCXBDSA-N 310.398 -0.575 30 20 DBED C=CCOCC(=O)NCC[C@@H]1CCN(C(=O)c2nc[nH]n2)C1 1060112021 NAPGMWVKCUSKIS-LLVKDONJSA-N 307.354 -0.024 30 20 DBED C=CCOCC(=O)N1CCOC[C@H]1CNC(=O)[C@H](C)OC 1061365369 ALDBIZRXVDIWBJ-NWDGAFQWSA-N 300.355 -0.433 30 20 DBED C#CCCCCC(=O)NC[C@@H]1COCCN1C(=O)CC(=O)NC 1061516125 VJKFEVHLCPDQNE-CYBMUJFWSA-N 323.393 -0.340 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1COCCN1C(=O)[C@H]1COCCO1 1061569198 AAJGJPVVFJXCTG-ZIAGYGMSSA-N 322.361 -0.841 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)C(=O)NCC1CC1 1061824286 MEUADXPIXFUSSX-JQWIXIFHSA-N 322.365 -0.984 30 20 DBED N#Cc1nccc(N2C[C@@H]3C[C@H]2CN3C(=O)c2cnnc(O)c2)n1 1062537981 OVPAMFKIBUDZRM-QWRGUYRKSA-N 323.316 -0.053 30 20 DBED CNC(=O)CC(=O)NC1(CNC(=O)CSCC#N)CCC1 1062578766 AOQFLWQUTIOFIV-UHFFFAOYSA-N 312.395 -0.466 30 20 DBED COCC(=O)N(C)CC(=O)NCC1(NC(=O)[C@@H](C)C#N)CCC1 1063327966 VCVIPZKBDDTTPW-NSHDSACASA-N 324.381 -0.594 30 20 DBED C[C@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@@H]1Nc1cnc(C#N)cn1 1067186909 KDBGQZIQEUINOX-ONGXEEELSA-N 314.349 -0.127 30 20 DBED C[C@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@@H]1Nc1cncc(C#N)n1 1067189089 IBAQHJXCYAMSPS-ONGXEEELSA-N 314.349 -0.127 30 20 DBED N#Cc1cccnc1N1C[C@H](O)[C@H](CNC(=O)c2cn[nH]c2)C1 1067652191 WOIYDBSCGJEGCF-OLZOCXBDSA-N 312.333 -0.097 30 20 DBED CCNC(=O)CC(=O)N[C@H]1COC2(C1)CN(C(=O)[C@@H](C)C#N)C2 1068820861 FHELIDXUSSPJAI-WDEREUQCSA-N 322.365 -0.842 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](n2ccnn2)[C@H](NCc2ccon2)C1 1070157218 OBIRPMBFCUBAKP-RTXFEEFZSA-N 315.337 -0.033 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(NC(=O)[C@@H](C)C#N)CCOCC1 1070232012 AENFRVMBIZKKOK-STQMWFEESA-N 321.377 -0.034 30 20 DBED Cn1cnc(C(=O)N2C[C@@H](NCC#N)[C@H](c3cncn3C)C2)n1 1070644106 QWMCTIGHWPVEPB-GHMZBOCLSA-N 314.353 -0.730 30 20 DBED CC(C)(C(N)=O)C(=O)N1C[C@H]2C[C@@H]3CN(CC#N)C[C@]2(C1)O3 1070813024 FZRGHFLEQDHCAD-UEKVPHQBSA-N 306.366 -0.677 30 20 DBED C[C@@H]1CN(C(=O)Cn2cncn2)C[C@@H]1NC(=O)C#CC1CC1 1072773144 OWPPBLWJXDYDEV-YPMHNXCESA-N 301.350 -0.345 30 20 DBED C#Cc1ccc(C(=O)N2CC3(CCN(CC(=O)NC)C3)C2)nc1 1073134947 YZLPKXMHTWEQPM-UHFFFAOYSA-N 312.373 -0.043 30 20 DBED C#Cc1ccc(C(=O)N2CCC(C)(NC(=O)C(N)=O)CC2)cn1 1073173817 LASQRJIBWLULDK-UHFFFAOYSA-N 314.345 -0.341 30 20 DBED C=CCN1CCCO[C@H](CNC(=O)c2cc(=O)n(C)cn2)C1 1073642891 XFJASJPVOZKETM-GFCCVEGCSA-N 306.366 -0.213 30 20 DBED CC#CCN1CCCO[C@H](CNC(=O)c2c[nH]c(C(N)=O)c2)C1 1073890915 JSVSAFCUSMNZLV-CYBMUJFWSA-N 318.377 -0.042 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)c3cn(C)ccc3=O)C[C@H]21 1074292683 ZFSIOKQBOWOVFW-ZBFHGGJFSA-N 315.373 -0.066 30 20 DBED Cc1ncnc(O)c1C(=O)N1CC[C@@H]2OCCN(CC#N)[C@@H]2C1 1074316938 HYPFWZPHAWFDCU-NEPJUHHUSA-N 317.349 -0.071 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)COc3cnn(C)c3)C[C@@H]21 1074321525 LQXINSCTKLPRBD-GJZGRUSLSA-N 318.377 -0.266 30 20 DBED C#Cc1cncc(C(=O)N2CC[C@@H]3OCCN(CCO)[C@H]3C2)c1 1074336694 UNAWCUMAIJNMAB-HOTGVXAUSA-N 315.373 -0.030 30 20 DBED C[C@@H]1C[C@H](NC(=O)CC(N)=O)CCN1C(=O)c1c[nH]c(C#N)c1 1074909949 SCPSTQXDXWQXQY-MWLCHTKSSA-N 317.349 -0.129 30 20 DBED C=CCOCC(=O)NCC[C@H](C)NC(=O)COCCN(C)C 1075918079 VRYFFHUJUQPXFB-ZDUSSCGKSA-N 315.414 -0.222 30 20 DBED C[C@@H](CCNC(=O)c1cc(C#N)c[nH]1)NC(=O)[C@@H]1COCCO1 1076073562 WZFXTKBPVNIDPS-GWCFXTLKSA-N 320.349 -0.074 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H](C)CCNC(=O)C1(NC(N)=O)CC1 1076204752 WSPMOMVLSBKYQK-WDEREUQCSA-N 324.381 -0.763 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(Cc2n[nH]c(C)n2)C[C@H]1O 1077699214 YACVUIYLHUPHES-LPWJVIDDSA-N 321.381 -0.634 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCCN2C(N)=O)C1 1077981431 NTVGWBMUPRZWFR-FRRDWIJNSA-N 308.382 -0.896 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H](C)CCNC(=O)CCn1cnnn1 1078025340 ISGQWYJCSSPABH-NWDGAFQWSA-N 322.369 -0.888 30 20 DBED C#CCN[C@@H]1C[C@@H](NC(=O)c2nnc(O)nc2O)C12CCC2 1078671220 SFKPFYZHCDKXQU-RKDXNWHRSA-N 303.322 -0.453 30 20 DBED CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)[C@@]2(C)CNC(=O)C2)C1 1080420073 MTVODCDSRKIFAS-MEBBXXQBSA-N 306.366 -0.268 30 20 DBED CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)CCNC(=O)COC)C1 1080420517 VSXITWIWRUZXIG-LLVKDONJSA-N 324.381 -0.642 30 20 DBED C#CCN1CCC(C(=O)N2CCC(CO)(NC(C)=O)CC2)CC1 1080657651 KOEUOKRIGCNQGK-UHFFFAOYSA-N 321.421 -0.179 30 20 DBED C#CCCN1C[C@@H](NC(=O)[C@H]2COCCN2C(C)=O)[C@H](C)C1 1080968760 OOLHRUCYPZTNDB-BPLDGKMQSA-N 307.394 -0.307 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)C#CC(C)C)C[C@@H]1O 1081346670 LBYSWBBBYVZXKK-KBPBESRZSA-N 308.378 -0.216 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)c2csnn2)C[C@@H]1O 1081445621 XWVJUCLWXYPBSD-PWSUYJOCSA-N 322.390 -0.109 30 20 DBED CCCN(C)CC(=O)N1C[C@H](O)[C@H](CNC(=O)C#CC(C)C)C1 1081463675 QKKAENAZEXFQTN-CABCVRRESA-N 323.437 -0.077 30 20 DBED C=C(C)CCC(=O)N1C[C@H](CNC(=O)c2cnn[nH]2)[C@@H](O)C1 1081590893 YJIRBNWNMVLBFH-JQWIXIFHSA-N 307.354 -0.290 30 20 DBED C#CCCN1C[C@@H](NC(=O)C[C@@H]2CCC(=O)N2C)[C@H](OC)C1 1082017442 ILZKVWXZLPRBCS-BFHYXJOUSA-N 307.394 -0.164 30 20 DBED C=CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CC(=O)N(C)C1 1083098208 KFDLLDGPUIGZFK-MELADBBJSA-N 307.394 -0.048 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCCN2CC(F)(F)F)C1 1084089945 BVXOHQBXGWZYHX-MXWKQRLJSA-N 320.315 -0.302 30 20 DBED C=CCN1CC[C@H](N2CC[C@H](NC(=O)C(N)=O)[C@H]2CC)C1=O 1087709644 IFECVJVWTNHORW-TUAOUCFPSA-N 308.382 -0.772 30 20 DBED CC#CCN1CC[C@H](NC(=O)[C@H]2COCCN2C(C)=O)[C@H]1C 1089049632 VGLZPIHEXPXIQL-VHDGCEQUSA-N 307.394 -0.164 30 20 DBED CS(=O)(=O)CC(=O)N1C[C@H]2CC[C@H]1[C@@H]1CN(CC#N)C[C@H]21 1089780419 DEUWJOCQKQZXKQ-LPWJVIDDSA-N 311.407 -0.277 30 20 DBED C=CCCC(=O)N[C@@H]1CN(c2ncnc3c2nnn3C)C[C@H]1O 1090394888 JSCNAHNWDPRTGL-NXEZZACHSA-N 317.353 -0.610 30 20 DBED N#CCN1CC[C@@H](NC(=O)Cn2cnc3c2CCCC3)[C@H](O)C1 1090436314 PTDYVVNCTVLQGG-UKRRQHHQSA-N 317.393 -0.163 30 20 DBED CCc1nc(C#N)cc(N2C[C@H](O)[C@H](NC(=O)[C@H](C)C#N)C2)n1 1091079871 YNXHYZAATGWLKM-JLLWLGSASA-N 314.349 -0.264 30 20 DBED COCCC(=O)N[C@@H]1CCN(c2ccc(C#N)nn2)C[C@H]1O 1092132833 XTVXREASSVFSCX-VXGBXAGGSA-N 305.338 -0.559 30 20 DBED CC(=O)N[C@H](C)C(=O)N1CCN(c2ccc(C#N)nn2)CC1 1093130946 PFKZEKPZSUOXJM-SNVBAGLBSA-N 302.338 -0.479 30 20 DBED CNC(=O)CC(=O)N[C@H]1[C@@H]2CN(c3ccc(C#N)nn3)C[C@@H]21 1093242142 POMMOSZFBYHART-MSRIBSCDSA-N 300.322 -0.965 30 20 DBED C#CCOCCC(=O)N[C@H]1[C@@H]2CN(c3nccnc3C#N)C[C@@H]21 1093312616 YZVKABWGIXKKJP-JYAVWHMHSA-N 311.345 -0.061 30 20 DBED CN(C)C(=O)CC(=O)NC1[C@H]2CN(c3ccc(C#N)nc3)C[C@H]12 1093357608 GIRHVZIRSUDELS-STQMWFEESA-N 313.361 -0.018 30 20 DBED CNC(=O)NC(C)(C)C(=O)NCCN=c1cc(C)[nH]cc1C#N 1093673680 ZIFQGCPQTVRTRA-UHFFFAOYSA-N 318.381 -0.081 30 20 DBED N#Cc1nc(=NCCNC(=O)c2ccc3nnc(O)n3c2)cc[nH]1 1093727648 RFMRVTPADXDAON-UHFFFAOYSA-N 324.304 -0.640 30 20 DBED Cn1nnc2ccc(C(=O)NCCN=c3cc[nH]c(C#N)n3)cc21 1093792609 WIUJIGJLNQTRFR-UHFFFAOYSA-N 322.332 -0.106 30 20 DBED N#Cc1nc(=NCCNC(=O)c2cc3ncccn3n2)cc[nH]1 1093798520 RWMPTGCZVSOUDZ-UHFFFAOYSA-N 308.305 -0.345 30 20 DBED N#Cc1nccnc1NCCNC(=O)COC[C@H]1CCOC1 1093867191 RMNOSQWPHPTGLA-NSHDSACASA-N 305.338 -0.071 30 20 DBED Cn1cc(OCC(=O)NCCNc2cnc(C#N)cn2)cn1 1094069644 ZKAWCUQZASFCTC-UHFFFAOYSA-N 301.310 -0.311 30 20 DBED N#CCN1CC(n2cc(CNC(=O)c3csc(O)n3)nn2)C1 1094312576 GFOCCAYSZWXSRF-UHFFFAOYSA-N 319.350 -0.250 30 20 DBED C=CCN1CC(n2cc(CNC(=O)c3cn(CC)nn3)nn2)C1 1094330099 TVBHUWKSRJALNH-UHFFFAOYSA-N 316.369 -0.138 30 20 DBED N#Cc1ccc(NCCCNC(=O)C2CS(=O)(=O)C2)cn1 1094610979 PZYPVFQBQFPIFW-UHFFFAOYSA-N 308.363 -0.084 30 20 DBED C=CCN1CCN(C(=O)c2n[nH]cc2C)[C@@H]2CS(=O)(=O)C[C@@H]21 1094632016 WMZKGLGJQKRBNY-NWDGAFQWSA-N 324.406 -0.172 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)Cc3cncnc3)CC2=O)C1 1094730263 VUZWUCNVPKWGQW-CYBMUJFWSA-N 315.377 -0.394 30 20 DBED CN(c1ccnc(C#N)n1)[C@@H]1CCN(C(=O)CCNC(N)=O)C1 1095117777 YSMLBUZBSBLVSS-SNVBAGLBSA-N 317.353 -0.556 30 20 DBED C[C@@H](CC(N)=O)C(=O)N[C@@H]1CCN(c2cncc(C#N)n2)C1 1096457427 IYTFHYUJHCSQJO-VHSXEESVSA-N 302.338 -0.445 30 20 DBED C[C@H](CC(N)=O)C(=O)N[C@H]1C[C@H](Nc2cncc(C#N)n2)C1 1097086704 VCNCKPQVXVNHOL-OPRDCNLKSA-N 302.338 -0.081 30 20 DBED CNC(=O)NCCC(=O)N[C@H]1C[C@@H](Nc2cnc(C#N)cn2)C1 1097179724 JRSKOXXXYBCDFN-AOOOYVTPSA-N 317.353 -0.274 30 20 DBED CNC(=O)CC(=O)NC[C@@H]1CCCN(c2cncc(C#N)n2)C1 1097296259 VQHOCKHGKTYBOA-NSHDSACASA-N 316.365 -0.183 30 20 DBED C[C@H](CNC(=O)CCN1CCOCC1)Nc1ccc(C#N)nn1 1097945304 JKBMPRFTOPEYFO-GFCCVEGCSA-N 318.381 -0.013 30 20 DBED CC#CCN(CCO)C1CCN(C(=O)[C@H]2CC(=O)N(C)C2)CC1 1098384442 VUXHJDCHNHMQPO-AWEZNQCLSA-N 321.421 -0.227 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)c2ccsn2)[C@@H](O)C1 1099887272 BTZJNGNQQUBHOQ-PWSUYJOCSA-N 324.406 -0.390 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)CCS(C)(=O)=O)[C@@H](O)C1 1099894598 MZCGVYXJVVODAP-RYUDHWBXSA-N 304.412 -0.451 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2cnc(C)n2C)[C@H](O)C1 1099964704 QQTDZCUFYSPWLQ-DZGCQCFKSA-N 320.393 -0.457 30 20 DBED CN1C[C@H](C(=O)NCCN(C)c2cnc(C#N)cn2)CCC1=O 1100150119 ARDSQFJNODQURC-LLVKDONJSA-N 316.365 -0.231 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)c2ccnn2C)C1 1100163829 ACCONBXKMNJCSF-UHFFFAOYSA-N 303.366 -0.733 30 20 DBED CN(CCNC(=O)C(=O)NCC(F)F)c1ccncc1C#N 1100223637 FGZARKOKNHKJJV-UHFFFAOYSA-N 311.292 -0.113 30 20 DBED CCN(CCNC(=O)[C@H]1COC(=O)N1)c1ccnc(C#N)n1 1100511192 PTCWAYXKDWDHNQ-SECBINFHSA-N 304.310 -0.601 30 20 DBED COCC#CCNC1CC(CNC(=O)C(=O)N2CC[C@@H](C)C2)C1 1100845908 BBWOCCCOAXTVPK-WLYUNCDWSA-N 321.421 -0.011 30 20 DBED CS(=O)(=O)CC(=O)NC[C@@H]1CCN(c2ccc(C#N)nn2)C1 1100961277 GOGHBEJYLYMHTB-JTQLQIEISA-N 323.378 -0.665 30 20 DBED C#CCOCCC(=O)N1C[C@H]2CN([C@@H](C)C(=O)NC)C[C@@]2(C)C1 1101236271 PXCNFVXOQKGHLI-VBQJREDUSA-N 321.421 -0.059 30 20 DBED C=CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)Cc2cnc[nH]2)C1 1102406481 VYGNEXKFZSHESJ-CHWSQXEVSA-N 319.409 -0.062 30 20 DBED C[C@H](CNC(=O)C1(C(N)=O)CC1)CNc1nccnc1C#N 1104191711 INEYSVBWBAPLTJ-VIFPVBQESA-N 302.338 -0.222 30 20 DBED Cc1cc(=NC[C@H](C)N(C)C(=O)[C@H]2CNC(=O)N2)c(C#N)c[nH]1 1104785005 LCBVVBQKTCKDMQ-GXFFZTMASA-N 316.365 -0.376 30 20 DBED C=CCOCCNCc1cn(C2CN(C(=O)CCOC)C2)nn1 1105130758 VBVMMTLBRPEXMT-UHFFFAOYSA-N 323.397 -0.010 30 20 DBED C[C@H]1COCC[C@H]1C(=O)N1CC(n2cc(CNCC#N)nn2)C1 1105322682 ZPPAGSGNIKKUFA-SMDDNHRTSA-N 318.381 -0.053 30 20 DBED N#Cc1nccnc1NC[C@H](O)CNC(=O)CCCCC(N)=O 1105958111 VYJGTIPPPBZXQV-SNVBAGLBSA-N 320.353 -0.717 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H](O)CNc1cc(C)nc(OC)n1 1105970461 IALSVBPKYOCLKE-VXGBXAGGSA-N 322.365 -0.279 30 20 DBED CN1C(=O)CC[C@@H]1C(=O)NC[C@H](O)CNc1ncccc1C#N 1106070429 QSFHHOFREGVMJZ-VXGBXAGGSA-N 317.349 -0.537 30 20 DBED CCC(=O)NCC(=O)NC/C=C\CNc1ccc(C#N)nn1 1107078700 MXUGTSOHGGUKON-ARJAWSKDSA-N 302.338 -0.041 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)c2[nH]cnc2C)C[C@H]1C 1107095327 IRNXWVXKDMRXMN-DGCLKSJQSA-N 317.393 -0.235 30 20 DBED N#CCN1CC(n2cc(CNC(=O)Cc3cc[nH]n3)nn2)C1 1107150211 DKVORPCCALUGFS-UHFFFAOYSA-N 300.326 -0.760 30 20 DBED CC(C)(C(N)=O)C(=O)NC/C=C/CNc1cncc(C#N)n1 1107386213 FADUENPFSMZLQJ-ONEGZZNKSA-N 302.338 -0.056 30 20 DBED C[C@H](CNc1ccc(C#N)nn1)NC(=O)[C@H]1COCCN1C 1107694287 LNBCSTYNVHDJJX-ZYHUDNBSSA-N 304.354 -0.405 30 20 DBED CC(C)(C)n1nnc(C(=O)NC[C@]2(C)CN(CC#N)CCO2)n1 1107957155 VBBSPQDAQYBNOU-CQSZACIVSA-N 321.385 -0.228 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)[C@@H]1CCN(C)C(=O)C1 1108211928 LDGZADHQSWVVLW-GHMZBOCLSA-N 316.365 -0.445 30 20 DBED COCC#CCN1CCO[C@@](C)(CNC(=O)CN2CCCC2)C1 1108398379 HIZOCLQTGUALNA-KRWDZBQOSA-N 323.437 -0.061 30 20 DBED C#CCCN1CCO[C@@](C)(CNC(=O)CCc2cn(C)nn2)C1 1108443101 HUEYVDVHWRZASH-INIZCTEOSA-N 319.409 -0.022 30 20 DBED CCO[C@H](C)C(=O)N1CCN(CC#N)[C@H]2CS(=O)(=O)C[C@H]21 1108460383 XHNGVCWCNUFRTH-GRYCIOLGSA-N 315.395 -0.755 30 20 DBED C=C(C)CN1CC(N2C[C@H](NC(=O)[C@@H](C)CC(N)=O)CC2=O)C1 1108561031 QIRPWHZEQUEFTD-NWDGAFQWSA-N 322.409 -0.525 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)[C@@H](COC)OC)CC2=O)C1 1108569514 KCNILQFGIKTSGB-WCQYABFASA-N 311.382 -0.765 30 20 DBED C[C@@H](CN=c1cc[nH]cc1C#N)NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 1108706850 MCJQEOJSKDNLFX-TVYUQYBPSA-N 317.349 -0.675 30 20 DBED C[C@@H](CNc1ncccc1C#N)NC(=O)c1nnc(O)nc1O 1108782379 TVFLOGPWSQHWDU-ZETCQYMHSA-N 315.293 -0.220 30 20 DBED CNC(=O)NCC(=O)N1C[C@@H](C)[C@@H](Nc2cncc(C#N)n2)C1 1112340613 OULBMPQTJUBREE-KOLCDFICSA-N 317.353 -0.464 30 20 DBED C=CCN1CC[C@@H](N2CCN(C(=O)[C@H](C)NC(C)=O)CC2)C1=O 1112603732 FANHXKRURXZXTN-GXTWGEPZSA-N 322.409 -0.558 30 20 DBED C=C(C)CN1CCN(C(=O)CNC(=O)Cn2cncn2)CC1 1113679104 BZRSIWVXLONBGF-UHFFFAOYSA-N 306.370 -0.885 30 20 DBED N#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@H]3CCCOC3)[C@H]2C1 1114028227 POAJIHZUTGGOHQ-CIQGVGRVSA-N 306.366 -0.901 30 20 DBED C[C@H](C#N)C(=O)NC1[C@H]2CN(Cc3nc(N(C)C)no3)C[C@H]12 1114064801 VNQSWMNJNUCVQX-UTLUCORTSA-N 304.354 -0.158 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1[C@@H]2CN(Cc3cnsn3)C[C@@H]21 1114157169 AEDOYCRBXZCNMU-YABSGUDNSA-N 319.390 -0.776 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)C3=CCOCC3)[C@H]2C1 1114163484 IKFAORJUNLCHPV-NHAGDIPZSA-N 303.362 -0.871 30 20 DBED CCC(=O)N[C@H](C)C(=O)NC1[C@@H]2CN(CC#CCOC)C[C@@H]12 1114317671 YIJKBMLZFBGLNL-JHJVBQTASA-N 307.394 -0.403 30 20 DBED CC1(C)CN(c2cncc(C#N)n2)C[C@H]1NC(=O)CC(N)=O 1114427273 BXPNDNAIUBAHKM-SNVBAGLBSA-N 302.338 -0.445 30 20 DBED C#CCNC(=O)CC(=O)NCC1[C@@H]2CN(c3ncccn3)C[C@@H]12 1114533867 WAOBRRWLBZPFJY-STQMWFEESA-N 313.361 -0.586 30 20 DBED N#Cc1nccc(N2C[C@@H]3C(CNC(=O)Cn4nccn4)[C@H]3C2)n1 1114580770 SWBFZOIUICVBRN-VXGBXAGGSA-N 324.348 -0.562 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)[C@@H]3CCNC(=O)CC3)[C@@H]2C1 1114619143 QYIXNUBRGZZXMQ-BFHYXJOUSA-N 319.405 -0.401 30 20 DBED C[C@H]1C[C@@H](CNc2ccc(C#N)nn2)CN1C(=O)CNC(N)=O 1114663547 JNOMIVNPAAAZKP-UWVGGRQHSA-N 317.353 -0.335 30 20 DBED C=CCCN1C[C@H]2[C@H](NC(=O)CNS(=O)(=O)N(C)C)[C@H]2C1 1114894818 MOJSEHLYABGKQF-PJXYFTJBSA-N 316.427 -0.995 30 20 DBED C=C(C)CCN1C[C@@H]2C(NC(=O)CS(=O)(=O)N(C)C)[C@H]2C1 1115188933 UJQYWXZCQWCJJN-RYUDHWBXSA-N 315.439 -0.110 30 20 DBED N#C[C@H]1CCCN(C(=O)C(=O)N2CCN([C@H]3CCNC3)CC2)C1 1119610776 GNSGJDUTHYMTPD-KGLIPLIRSA-N 319.409 -0.745 30 20 DBED C[C@@H](CN(C)C(=O)CCc1cnn[nH]1)N=c1cc[nH]c(C#N)n1 1120673385 ZDLXLILFVYDGQP-JTQLQIEISA-N 314.353 -0.220 30 20 DBED N#Cc1c[nH]ccc1=N[C@H](CO)CNC(=O)c1cccc(O)n1 1121424599 DFLBYGJCEUEMTM-NSHDSACASA-N 313.317 -0.321 30 20 DBED COc1cc(C(=O)NC[C@H](CO)Nc2ccc(C#N)nn2)on1 1121465126 QIZUCHFWKWIXDD-SECBINFHSA-N 318.293 -0.452 30 20 DBED Cc1nccc(C(=O)NC[C@@H](CO)Nc2cncc(C#N)n2)n1 1121657479 CAENGSUXKHEDPZ-NSHDSACASA-N 313.321 -0.351 30 20 DBED COCCOCCC(=O)NC[C@H](CO)Nc1ccc(C#N)nn1 1121697989 DJHHJVMGYRHWEA-GFCCVEGCSA-N 323.353 -0.710 30 20 DBED C[C@@H]1CCCN1CC(=O)NC[C@H](CO)Nc1cncc(C#N)n1 1122525606 CSOCZEBPHANMAM-DGCLKSJQSA-N 318.381 -0.278 30 20 DBED C=CCn1cc(C(=O)NC[C@H](CO)Nc2ccc(C)nn2)nn1 1122673238 KVZGHPVMOVCNSW-LLVKDONJSA-N 317.353 -0.235 30 20 DBED CN(C[C@@H](O)CNc1cnc(C#N)cn1)C(=O)c1cocn1 1124199692 AFJDUOKNEQUBKN-JTQLQIEISA-N 302.294 -0.119 30 20 DBED C#CCNC(=O)CC(=O)NCCNCc1nc(C(C)(C)C)n[nH]1 1125978376 PNLONUMETVUZHV-UHFFFAOYSA-N 320.397 -0.553 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)c2cnnc(C)c2)C1=O 1126276203 XZGLQSIVDCNHFH-ZDUSSCGKSA-N 303.366 -0.109 30 20 DBED Cn1cc(N2CC[C@@H](NCCNC(=O)C#CC3CC3)C2=O)cn1 1126880796 AGWSTYMJLPFMKN-CQSZACIVSA-N 315.377 -0.355 30 20 DBED C#CCNCc1nnc2n1CC[C@@H](NC(=O)CC(C)(C)O)CC2 1128006964 YUEAMGBAAYXXHB-LBPRGKRZSA-N 319.409 -0.017 30 20 DBED CNC(=O)CCCC(=O)NCc1cnn2c1CN(CC#N)CC2 1128321903 POGQBXNOLLTLFD-UHFFFAOYSA-N 318.381 -0.245 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H](CC)NC(C)=O)C1 1129281193 WAKKDDHWNVZHHA-MJBXVCDLSA-N 318.381 -0.833 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCNCCOC[C@@H]1CCCO1 1129770816 LIRGIKCUQPBLDO-HOTGVXAUSA-N 323.437 -0.015 30 20 DBED CC(=O)N(C)CC(=O)NCc1c[nH]nc1[C@H]1CCN(CC#N)C1 1130345644 SGYCRUIDVYKOHT-LBPRGKRZSA-N 318.381 -0.183 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)CN1CCCCC1=O 1130766840 ZUICQYZLBHRCRF-GFCCVEGCSA-N 310.398 -0.605 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)CNC(=O)CCC)CC1 1131331221 BXPJRKVWTPYMIS-UHFFFAOYSA-N 322.409 -0.814 30 20 DBED COCC#CCN1CC[C@@]2(C1)CN(C(=O)CC(N)=O)C[C@H](C)O2 1131641709 HVPREKRKSNXMQZ-XJKSGUPXSA-N 323.393 -0.797 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2cnsn2)CC[C@H]1C 1131840066 ZHVDXQVCOHZAPD-MNOVXSKESA-N 321.406 -0.130 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1cccc2[nH]ncc12 1132180151 WKBHHQGWSGBIGU-UHFFFAOYSA-N 300.322 -0.478 30 20 DBED C[C@@H](C[C@@H](C)NCC(=O)NCC#N)NC(=O)C1CCOCC1 1133530694 SCGUGTXCMUYMBT-NEPJUHHUSA-N 310.398 -0.074 30 20 DBED Cc1cnn(CC(=O)N[C@@H](C)C[C@H](C)NCC(=O)NCC#N)c1 1133843985 LNBYIHSVEFHMHE-STQMWFEESA-N 320.397 -0.296 30 20 DBED C[C@H](C[C@@H](C)NC(=O)c1cc(C#N)c[nH]1)NCC(=O)NC(N)=O 1134014218 NZFDARXHOBBHDC-RKDXNWHRSA-N 320.353 -0.432 30 20 DBED C=CCn1cc(C(=O)NCCNCc2cnnn2CC)nn1 1134983573 SVXGZFHCJHRGMC-UHFFFAOYSA-N 304.358 -0.405 30 20 DBED Cc1nccn1CCCC(=O)NCCNCC(=O)NCC#N 1135307127 PQUFLQHBBHBPIA-UHFFFAOYSA-N 306.370 -0.683 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)c1n[nH]cc1F 1135408058 REJCTQHJNJYKBE-UWVGGRQHSA-N 309.345 -0.215 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@H](C)Oc1ccccn1 1148122888 YUSKAIFZKSNXKU-STQMWFEESA-N 318.377 -0.307 30 20 DBED C#Cc1ccc(C(=O)NCCNCc2nnnn2CCC)cn1 1148389725 RYMJVDCHRNQJJB-UHFFFAOYSA-N 313.365 -0.021 30 20 DBED N#CCN1CCCO[C@H](CNC(=O)CC2CS(=O)(=O)C2)C1 1149931139 WFLADLQNWSBOOE-GFCCVEGCSA-N 315.395 -0.848 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)Cn2ccc(C)cc2=O)C1 1150386764 RQKJFFUHGXEZDT-OAHLLOKOSA-N 317.389 -0.003 30 20 DBED COCC#CCN1CCCO[C@@H](CNC(=O)[C@@H]2CCN(C)C2)C1 1150699477 JAPDQDXWKSWLMB-CVEARBPZSA-N 323.437 -0.205 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1n[nH]c2c1CCCCC2 1151152305 OKMQVAYBVFNVAY-UHFFFAOYSA-N 317.393 -0.253 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)c1cc[n+]([O-])cc1 1151735586 GGOJOXQCJJSSCO-CYBMUJFWSA-N 318.377 -0.490 30 20 DBED CN(C)[C@@H](C(=O)NCCNCC(=O)NCC#N)c1ccccc1 1152521917 FOYAYVIYRDLBCV-OAHLLOKOSA-N 317.393 -0.365 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1ccc(N(C)C)cn1 1152822061 HPVZRPAOPACAGJ-UHFFFAOYSA-N 305.382 -0.231 30 20 DBED C=CCNC(=O)NC(=O)CNCCCNC(=O)COCCC 1155408058 HABRDUSYJOJKRR-UHFFFAOYSA-N 314.386 -0.479 30 20 DBED CNC(=O)CN1CCC(CNC(=O)[C@@H](C)C#N)(COC)CC1 1162166191 UNEJEAQWJVIWAT-LBPRGKRZSA-N 310.398 -0.263 30 20 DBED C#CCN1CCC(CNC(=O)Cn2cnnc2O)(COC)CC1 1162218822 HCVNSQDGMQOJFK-UHFFFAOYSA-N 321.381 -0.538 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1cnc2nccn2c1 1162546394 IIHHWWLGMDSUEU-UHFFFAOYSA-N 314.349 -0.812 30 20 DBED C#CCNCC1(CCNC(=O)[C@H](C)NS(=O)(=O)CC)CC1 1164608206 AECMFLNRXFAOEJ-LBPRGKRZSA-N 315.439 -0.177 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)COCCCOC)C[C@@H]21 1177131589 PTRRTDAMEPSFSL-LSDHHAIUSA-N 310.394 -0.026 30 20 DBED C[C@H](C#N)C(=O)NCCCCCCNCCN1C(=O)CNC1=O 1178059611 OURFVSIDHYIXEE-GFCCVEGCSA-N 323.397 -0.036 30 20 DBED C#CCNC(=O)[C@H](C)NCCCCCCNC(=O)CC(=O)NC 1178290224 SUZJEAWEGWUYRR-ZDUSSCGKSA-N 324.425 -0.473 30 20 DBED N#CCNC(=O)CN[C@@H]1CCN(C(=O)CCOCC2CC2)C1 1182522385 JJMIHVNQYYHEBR-CYBMUJFWSA-N 308.382 -0.367 30 20 DBED CC#CCNC[C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C[C@H]1C 1184933370 KAWWDJHEXHJLTN-CABCVRRESA-N 320.437 -0.484 30 20 DBED COCC#CCNC[C@H]1CCN(C(=O)CCNC(N)=O)C[C@@H]1C 1185661681 FWHGBPJGGZCVHF-UONOGXRCSA-N 324.425 -0.231 30 20 DBED COc1ccc(C(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)o1 1186554456 DVPCQMMWLUKRAE-SNVBAGLBSA-N 306.322 -0.268 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)C3CCOCC3)[C@@H]2C1 1186637548 UTZZKSBRRQIEJD-LSDHHAIUSA-N 319.405 -0.305 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2cnccn2)C1 1188676046 QBUWRNWLKXPJQK-GFCCVEGCSA-N 301.350 -0.628 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2coc(C)n2)C1 1192445524 ZVKFOROWKCTEDT-ZYHUDNBSSA-N 308.338 -0.940 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(Cc2nc(C)no2)C[C@H]1O 1192523880 BCLVGSNUGFCNGM-JTNHKYCSSA-N 310.354 -0.634 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCCN(C(=O)[C@H]2CCN(C)C2)CC1 1198098307 USERAVWRAPTNAK-CABCVRRESA-N 320.437 -0.390 30 20 DBED C=C(C)CN1CCCN(C(=O)CNC(=O)Cn2cncn2)CC1 1198236702 VGGYCWISPSPDPP-UHFFFAOYSA-N 320.397 -0.495 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)CCc2cncn2C)C1 1198285631 OEMZSBCPNRCYCX-HUUCEWRRSA-N 320.393 -0.836 30 20 DBED C=C(Cl)CNC[C@H]1CN(C(=O)Cn2cnnn2)CCCO1 1199788163 UJGVMMMNRMLFBD-NSHDSACASA-N 314.777 -0.367 30 20 DBED C=CCNC[C@@H]1CN(C(=O)CN2CCOCC2=O)CCCO1 1200695765 CQNTTXCVQFYFGY-CYBMUJFWSA-N 311.382 -0.762 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)[C@]2(F)CCOC2)CC1 1202171126 MDUGPLCVDJTPRL-HNNXBMFYSA-N 313.373 -0.002 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)CN(C)C(C)=O)[C@H](C)C1 1206116382 WVIHUTNQGQTGCC-YRGRVCCFSA-N 322.409 -0.961 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(CCn2cccn2)C[C@H]1C 1206891701 FCOSLDFYVXFCEM-ZIAGYGMSSA-N 317.393 -0.541 30 20 DBED N#CCNC(=O)CN[C@H]1CCCN(C(=O)c2cnns2)C1 1207507368 QATDSXHAPNYRGM-VIFPVBQESA-N 308.367 -0.628 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)Cc2cc[nH]n2)C1 1207731977 YEUIHEICKGXTDU-ZDUSSCGKSA-N 303.366 -0.718 30 20 DBED C=C(C)CN1C[C@@H](NC(=O)CCNC(=O)COC)[C@H](OC)C1 1212363679 GJUXPTKCEDXDQM-CHWSQXEVSA-N 313.398 -0.469 30 20 DBED CC#CCN1C[C@@H](NC(=O)[C@H](C)S(C)(=O)=O)[C@H](OC)C1 1212474835 VQLBUQQIROAYFS-QJPTWQEYSA-N 302.396 -0.742 30 20 DBED C#CCCN1C[C@@H](NC(=O)C(=O)NCC(F)(F)F)[C@H](OC)C1 1213631507 PNZJUGDIOOTGTB-NXEZZACHSA-N 321.299 -0.496 30 20 DBED C#CCCN1C[C@@H](NC(=O)CS(=O)(=O)C(C)C)[C@H](OC)C1 1213874045 AAYKFGHIKJMYQV-CHWSQXEVSA-N 316.423 -0.352 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)c2ocnc2C)C[C@H]1C 1214400504 FZOQMWYALFOZHK-ZYHUDNBSSA-N 304.350 -0.217 30 20 DBED CC[C@@H](C)OCC(=O)N1C[C@@H](NCC(=O)NCC#N)[C@H](C)C1 1214456631 MKZQOEQDLIBBCR-JHJVBQTASA-N 310.398 -0.122 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CC(=O)N(C)C)C[C@H]1C 1215836162 MUERPEGYHYNZJO-JHJVBQTASA-N 322.409 -0.961 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)CCOC(C)C)C1 1219228640 WQNMOAUFKIREOK-OLZOCXBDSA-N 313.398 -0.735 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CN(CCCO[C@H]2CCOC2)C[C@@H]1O 1219594556 QGJQOUAIIOMKRI-XHSDSOJGSA-N 322.405 -0.243 30 20 DBED C#CCCCCCC(=O)N[C@@H]1CN(CC(=O)N2CCC2)C[C@@H]1O 1220144431 FHYGHTZNWJFKRB-CABCVRRESA-N 321.421 -0.036 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)c2cnn(CCOCC)c2)C1 1220636683 NXMVXBKYZGNWEA-CABCVRRESA-N 320.393 -0.282 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C[C@H](C)C(C)(C)C)C1 1220848221 LYVMNSJWMLDLLS-MJBXVCDLSA-N 323.437 -0.031 30 20 DBED CCC(C)(CC)C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@@H]1O 1221007923 VDWSOMLIUMVIRI-NEPJUHHUSA-N 310.398 -0.386 30 20 DBED N#CCNC(=O)CN1CCC(NC(=O)[C@]2(F)CCOC2)CC1 1228835097 ZXIBMIKJVDMCER-AWEZNQCLSA-N 312.345 -0.665 30 20 DBED COCC#CCN1CCC(NC(=O)CCn2cnnn2)CC1 1229740861 RHYDWSOVJAXZNI-UHFFFAOYSA-N 306.370 -0.706 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)Cc2ccc[nH]2)CC1 1230310499 VWRSEPSTLGYCOZ-UHFFFAOYSA-N 302.378 -0.113 30 20 DBED CC#CCN1CCS(=O)(=O)[C@H](CCNC(=O)COCC)C1 1230413153 GKKMJBQOIQXFDI-CYBMUJFWSA-N 316.423 -0.349 30 20 DBED C[C@@H](C#N)C(=O)N(C)C[C@H]1CCN1CC(=O)N1CCOCC1 1231247103 KWOGLIFZQKTLKL-QWHCGFSZSA-N 308.382 -0.462 30 20 DBED C#CCN1CC[C@@H]1CN(C)C(=O)[C@@H](Cn1cccn1)N(C)C 1235303410 KMGAISQZFMZHHZ-HUUCEWRRSA-N 303.410 -0.021 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CCN(CC(=O)NC(N)=O)C2)nc1 1265311930 CYWMVSPKPMLGRG-LLVKDONJSA-N 315.333 -0.938 30 20 DBED C=C[C@@H](COC)NC(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 1320294131 JIISUIMAQZCDHD-QWRGUYRKSA-N 305.400 -0.089 30 20 DBED COC[C@@H](C)n1ccc(NC(=O)C(=O)N2CCO[C@H](C#N)C2)n1 1320599266 QNUGZUTYBAGNKJ-GHMZBOCLSA-N 321.337 -0.220 30 20 DBED N#Cc1ncn(CCNC(=O)Cc2ccc(-n3cnnn3)cc2)n1 1324324413 JDZIFKOZCPZUJE-UHFFFAOYSA-N 323.320 -0.516 30 20 DBED C=CCn1cc(CNC(=O)CCC[C@]2(C)NC(=O)NC2=O)nn1 1326169489 FAGQVDWYDOTUPQ-AWEZNQCLSA-N 320.353 -0.151 30 20 DBED CCOC[C@H]1CCN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)C1 1326227809 PPKJZOXCJSSFOV-WFASDCNBSA-N 309.366 -0.252 30 20 DBED NS(=O)(=O)c1ccc(C=NN[C@H]2CCS(=O)(=O)C2)cc1 1327588454 WEXIZCITQNANNS-JTQLQIEISA-N 317.392 -0.555 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)nn1 1328581276 KFQVZMAHGKXBJB-SNVBAGLBSA-N 313.383 -0.525 30 20 DBED C=CCn1cc(CNC(=O)C(=O)NC[C@@H]2CCCCO2)nn1 1329199559 SZKLMFFKQFRWAO-LBPRGKRZSA-N 307.354 -0.234 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N[C@H]1CC(=O)N(C(C)C)C1 1331207431 KHJFLVOBKZEZLP-OLZOCXBDSA-N 323.393 -0.344 30 20 DBED C#CC1CCN(C(=O)C(=O)N2CC[C@@H](n3cncn3)C2)CC1 1332375911 GZSVROQYIJCEKC-CYBMUJFWSA-N 301.350 -0.077 30 20 DBED C#CCNC(=O)C1CCN(c2nnc(CCOC)n2C)CC1 1340040124 RXTGTTDQGSDNGS-UHFFFAOYSA-N 305.382 -0.030 30 20 DBED C=CCn1c(Cc2nccn2C)nnc1N1CCNC(=O)C1 1342415147 ITUQTPNDROQTOD-UHFFFAOYSA-N 301.354 -0.275 30 20 DBED COC(=O)[C@@H](CNC(=O)C#CC1CCNCC1)[C@@H]1CCOC1 1342685289 NJVDYPOJPGXZMG-KGLIPLIRSA-N 308.378 -0.069 30 20 DBED C#CC1CCN(c2nnc(C3=NNC(=O)C3)n2CCOC)CC1 1345261704 QDHHNQVDFHESJR-UHFFFAOYSA-N 316.365 -0.002 30 20 DBED C#CC[C@H]1NC(=O)N([C@@H]2CCN(C3CCOCC3)C2=O)C1=O 1351772409 URMCWUQMHDFJSF-VXGBXAGGSA-N 305.334 -0.290 30 20 DBED N#Cc1ccc(NCC(=O)N2CCN3C(=O)NC[C@H]3C2)nc1 1362051680 XIQOCHOKMCOJQI-NSHDSACASA-N 300.322 -0.399 30 20 DBED COCCN(CC(=O)N(C)C)C(=O)CNc1ccc(C#N)cn1 1362116985 GDDLZRYZPATPRX-UHFFFAOYSA-N 319.365 -0.072 30 20 DBED N#Cc1cn(CC(=O)N2C[C@H]3CC[C@@H](O)C[C@H]3C2)c(=O)nc1O 1362953409 LWTSGHJRYGBAAL-JFGNBEQYSA-N 318.333 -0.560 30 20 DBED CN(CCNC(=O)[C@H]1CCCC(=O)N1C)c1cncc(C#N)n1 1366810525 RNLHFIPDNUPQBP-GFCCVEGCSA-N 316.365 -0.088 30 20 DBED C=C(Cl)CNC[C@@H](O)CNC(=O)[C@@H](OC)c1cnn(C)c1 1367614356 VARHFIKDBFVYMR-NEPJUHHUSA-N 316.789 -0.073 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)COCC2CC2)C1 1380123656 OISDMUAKEZXRJX-ABAIWWIYSA-N 309.366 -0.348 30 20 DBED C=C(Cl)CNC[C@H](O)CN(C)C(=O)c1cc(=O)n(C)cn1 1382410566 CASLVIOGRKHDGG-JTQLQIEISA-N 314.773 -0.445 30 20 DBED C[C@H](C#N)C(=O)N1CCN(CCNC(=O)[C@H]2CCCCO2)CC1 1385524921 IJXYXFLKTQCRDY-ZIAGYGMSSA-N 322.409 -0.024 30 20 DBED CN(CCN(C)C(=O)c1cc(C#N)c[nH]1)C(=O)Cn1cnnn1 1388958713 CMQMKKYMGKDRRH-UHFFFAOYSA-N 316.325 -0.897 30 20 DBED CNC(=O)c1cccc(CNC[C@@H](O)CNC(=O)[C@H](C)C#N)c1 1392368672 WJFSWJZCRVWTPH-BXUZGUMPSA-N 318.377 -0.227 30 20 DBED C[C@@H](C#N)C(=O)N(CCNC(=O)[C@H](C)S(C)(=O)=O)C1CC1 1398338980 VZLVGNPPJVRBOE-UWVGGRQHSA-N 315.395 -0.314 30 20 DBED Cc1nc(CC(=O)N2CCC[C@H](NC(=O)[C@@H](C)C#N)C2)n[nH]1 1407388652 RJXHTHBIZGDWRL-ONGXEEELSA-N 304.354 -0.078 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CN(C)C(=O)C1(F)CCOCC1 1413284139 YOSLJQRHRYAMKO-MNOVXSKESA-N 315.345 -0.400 30 20 DBED C[C@@H](C#N)C(=O)NCCN1CCN([C@H](C)C(=O)N(C)C)CC1 1419131072 POLBTDVXHWIPOR-QWHCGFSZSA-N 309.414 -0.643 30 20 DBED Cc1ccc(CC(=O)NC[C@H](O)CNC(=O)[C@@H](C)C#N)cn1 1433294916 ISNAHPOVPCDBEU-GWCFXTLKSA-N 304.350 -0.315 30 20 DBED CC(C)CNC(=O)NC(=O)[C@H](C)N1CC(NC(=O)[C@@H](C)C#N)C1 1443460820 JYHLISMHVLXIAB-QWRGUYRKSA-N 323.397 -0.183 30 20 DBED COC(=O)C[C@H]1C(=O)NCCN1S(=O)(=O)CC(C)(C)C#N 1462730037 HTTBPJYGRBUDHM-VIFPVBQESA-N 317.367 -0.771 30 20 DBED CN(C(=O)NCCn1cc(C#N)c(O)nc1=O)C1CCOCC1 1475510727 XWYIPXXOUSPGCU-UHFFFAOYSA-N 321.337 -0.359 30 20 DBED CCC[C@@H](NC(N)=O)C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H](C)C#N)C1 1489846689 VXKYHCRRKVJPDN-NNYUYHANSA-N 323.397 -0.006 30 20 DBED COc1ncnc(OC)c1C(=O)N(C)CCNC(=O)[C@@H](C)C#N 1496502245 SCCKGTGIDDPWAU-VIFPVBQESA-N 321.337 -0.158 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H](C)CCNC(=O)Cn1cccn1 1567210049 ZAWNERKIQLNGGG-STQMWFEESA-N 305.382 -0.495 30 20 DBED C=CCC(C)(C)C(=O)NC[C@H](O)CNC(=O)CNC(=O)O 1573351771 YBSNYVQGYRLCJB-SECBINFHSA-N 301.343 -0.550 30 20 DBED C=CCN1CC[C@H](NC[C@H]2CCN(C(=O)CNC(=O)O)C2)C1=O 1573367866 CWGRCYWFIDDKKQ-NEPJUHHUSA-N 324.381 -0.521 30 20 DBED C#CCN(C(=O)c1nc[nH]n1)C1CCN(Cc2cnn[nH]2)CC1 1574928040 FRPNFMHKQUHRMH-UHFFFAOYSA-N 314.353 -0.337 30 20 DBED Cc1cc(NC(=O)[C@H](C)N2CCNCC2=O)nn1CCC#N 1579623527 GZLFVMDORBXBDJ-NSHDSACASA-N 304.354 -0.136 30 20 DBED C#CCN(CC(=O)O)c1nnnn1Cc1cccc(CO)c1 1588427388 VVECZCJLIXPXGU-UHFFFAOYSA-N 301.306 -0.262 30 20 DBED C[C@H]1CN(CCS(=O)(=O)CC(=O)O)C[C@H](C)N1CC#N 1589399723 HYTHVQJQCYFFMK-QWRGUYRKSA-N 303.384 -0.596 30 20 DBED CS(=O)(=O)c1ccc(Cn2cnc(-c3nn[nH]n3)c2C#N)o1 1591680653 DPTHCJWGKDYJIW-UHFFFAOYSA-N 319.306 -0.020 30 20 DBED Cc1cc(NC(=O)C(=O)N2CCO[C@H](C(=O)O)C2)ncc1C#N 1594313592 NDPAKQUXIVESAZ-JTQLQIEISA-N 318.289 -0.488 30 20 DBED CN1C[C@H](C(=O)O)N(S(=O)(=O)CC(C)(C)C#N)CC1=O 1598566096 QOOPNAQIBBXUDZ-MRVPVSSYSA-N 303.340 -0.907 30 20 DBED C#CCN(CC(=O)O)c1nnc(C[C@@H](C)O)n1C[C@@H]1CCOC1 1602701064 UOOPIJXPHAEJOI-NEPJUHHUSA-N 322.365 -0.238 30 20 DBED C#CCN1CCN(C(=O)CN2C[C@H]3CC[C@H]2[C@H](C(=O)O)C3)CC1 1602720257 OJDFTNJYIRTEHA-ZNMIVQPWSA-N 319.405 -0.051 30 20 DBED C=CCOCCCNC(=O)C(=O)Nc1c(C(=O)O)cnn1C 1602915083 CGXMJCKASZWLOT-UHFFFAOYSA-N 310.310 -0.234 30 20 DBED C[C@](CO)(NC(=O)CNC(=O)c1ccc(C#N)cc1)C(=O)O 1604190947 LICMKMCBBZPEIU-CQSZACIVSA-N 305.290 -0.760 30 20 DBED Cn1nc2c(c1N)CN(c1cnc(-c3nn[nH]n3)c(C#N)n1)C2 1606270150 FPAJXDCMLZOGAW-UHFFFAOYSA-N 309.297 -0.636 30 20 DBED N#Cc1nc(N2CC[C@H](Cn3ccnn3)C2)cnc1-c1nn[nH]n1 1606389046 IXEMLRSCKAKIRU-VIFPVBQESA-N 323.324 -0.354 30 20 DBED N#Cc1cncc(NCCNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)n1 1606389582 ANMWOTRSOVVEDO-UHFFFAOYSA-N 324.308 -0.302 30 20 DBED N#CCN(CCC(=O)O)C(=O)CN1C(=O)NC2(CCCC2)C1=O 1608185247 JGXSLWUWGIIRLJ-UHFFFAOYSA-N 322.321 -0.322 30 20 DBED C=CCOCCN1CCC[C@H](NC(=O)c2nnc(O)nc2O)C1 1665061192 DFANFSRZCSXSCC-JTQLQIEISA-N 323.353 -0.320 30 20 DBED C#CCNC(=O)CN(C)CCCNC(=O)C[C@H]1CCCC(=O)N1 1752016910 HDNAHWMBGOPDLE-CYBMUJFWSA-N 322.409 -0.767 30 20 DBED C=CCNC(=O)CN1CCN(CCNC(=O)c2ccc[nH]2)CC1 1752360582 MTOAZTMAKZONIT-UHFFFAOYSA-N 319.409 -0.336 30 20 DBED CC(C)C#CC(=O)NC[C@H](N[C@@H](C)C(=O)NC(N)=O)C1CC1 1752464531 SOKJUGDYUXWICJ-JQWIXIFHSA-N 308.382 -0.286 30 20 DBED N#CCN1CC[C@@H](CNC(=O)CCCN2C(=O)CCC2=O)C1 1753128255 FHVJFGLROUPVJH-LBPRGKRZSA-N 306.366 -0.123 30 20 DBED C=CCNC(=O)[C@H](C)N1CC[C@H](CNC(=O)c2[nH]nnc2C)C1 1753131523 XBNGUPJCAAZWFM-NWDGAFQWSA-N 320.397 -0.144 30 20 DBED C#CCOCCC(=O)N(C)CCNC[C@@H]1CCS(=O)(=O)C1 1753188150 KPSWSTDXNDMEMN-ZDUSSCGKSA-N 316.423 -0.491 30 20 DBED C#CCNC(=O)CN[C@H](CNC(=O)c1cncnc1)C(C)C 1753830123 URZONVAJYFVXBM-CYBMUJFWSA-N 303.366 -0.430 30 20 DBED CC(C)[C@@H](CNC(=O)[C@@H](C)n1cncn1)NCC(=O)NCC#N 1753831019 ZURKHMQSBNALMS-VXGBXAGGSA-N 321.385 -0.791 30 20 DBED N#CCNC[C@@H](NC(=O)C[C@@H]1NC(=O)NC1=O)C1CCCC1 1754651616 XHAMMBZYQIPWFT-WDEREUQCSA-N 307.354 -0.627 30 20 DBED COCC#CCN1C[C@H]2C[C@H](NC(=O)Cn3ncnn3)C[C@H]1C2 1754780479 DLARQSNVAGOQES-MELADBBJSA-N 318.381 -0.708 30 20 DBED C#CCNC(=O)[C@H](C)NCCN(CCO)C(=O)CC(C)(C)C 1754876405 FJKYWHOKWFHLPD-ZDUSSCGKSA-N 311.426 -0.029 30 20 DBED C#CCNCCN(CCO)C(=O)c1ccc2c(c1)OCC(=O)N2 1754883505 KPJYLFGVXPVDLX-UHFFFAOYSA-N 317.345 -0.325 30 20 DBED C=CCOCC(=O)N1CCO[C@@H](CN[C@H]2CCN(C)C2=O)C1 1754994744 AFQNHYUGJQFNIY-STQMWFEESA-N 311.382 -0.763 30 20 DBED CC#CCN(C)CCCN(C)C(=O)[C@@H]1CCS(=O)(=O)N1 1755045461 WEXZBNAXNGMYGN-LBPRGKRZSA-N 301.412 -0.518 30 20 DBED CC[C@]1(C(=O)NC[C@H]2CCC3(CN(CC#N)C3)O2)CCNC1=O 1755054856 WOQKIOINNWVBIS-WBMJQRKESA-N 320.393 -0.224 30 20 DBED N#CCNC(=O)CNCC1CC(NC(=O)[C@H]2CCCOC2)C1 1755207172 QJAGYSPGYKODGY-CPCZMJQVSA-N 308.382 -0.463 30 20 DBED COCC#CCNCC1CC(NC(=O)[C@@H](C)S(C)(=O)=O)C1 1755213363 DGHIANAPEXNEEE-PNESKVBLSA-N 316.423 -0.446 30 20 DBED CCC(=O)N1CCCC[C@H]1C(=O)NC1(CCO)CN(CC#N)C1 1755333274 DFYAWIOMKVFBLV-ZDUSSCGKSA-N 322.409 -0.146 30 20 DBED COCC#CCNC[C@@H](C1CC1)N(C)C(=O)[C@@H](C)NC(C)=O 1755555759 DLVMBNAOGJMOIY-DOMZBBRYSA-N 309.410 -0.013 30 20 DBED C=CCN[C@@H](C)CN(C)C(=O)c1cn(CC(=O)N(C)C)nn1 1755618692 NKVCTBKWSLLSNU-NSHDSACASA-N 308.386 -0.398 30 20 DBED CN(CC(=O)NCC#N)C[C@@H](O)CN(C)C(=O)CC(C)(F)F 1755805774 QJMBQTIWIAXCGI-SNVBAGLBSA-N 320.340 -0.577 30 20 DBED COCC#CCN(CCNC(=O)c1ccncn1)CCOC 1755841090 WDYANOCJCYPVQF-UHFFFAOYSA-N 306.366 -0.195 30 20 DBED C[C@H](CN(C)C(=O)C#CC1CC1)NC(=O)CCn1cnnn1 1756450592 JASWEPRAQCCZSQ-LLVKDONJSA-N 304.354 -0.560 30 20 DBED C=CC(C)(C)C(=O)N[C@H](CO)CNC(=O)C[C@@H]1CCC(=O)N1 1756531516 AIYMGFIXSZFHBW-QWRGUYRKSA-N 311.382 -0.539 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(C(=O)[C@@H](C)NC(C)=O)[C@@H]1C 1757503073 BSSJHVXTLURRKA-WZRBSPASSA-N 311.382 -0.181 30 20 DBED C=CCC1(C(=O)N2CC[C@H](NC(=O)CC(N)=O)[C@@H](O)C2)CCC1 1757564687 XWWGZUDTYAQCPC-RYUDHWBXSA-N 323.393 -0.314 30 20 DBED COC(=O)Cn1cc(/C=C/C(=O)c2cn(CC(=O)O)nn2)nn1 1777109728 FXTPAAOZNNTCIV-NSCUHMNNSA-N 320.265 -0.977 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)Cn1ccc(C)n1)CCO2 1783048247 ULSDJXQPESBTEN-MRXNPFEDSA-N 316.361 -0.345 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(C#N)c[nH]1)CCO2 1783055206 ULAFIGWAJVEBFR-INIZCTEOSA-N 312.329 -0.037 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)C1(O)CCC1 1792478427 KAFURUSJWXBFKI-XPCVCDNBSA-N 320.389 -0.240 30 20 DBED Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CC#N)n[nH]1 1795083690 KKZMOJWQSNJHCE-GNXNZQSNSA-N 317.349 -0.165 30 20 DBED C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](COC)NC(C)=O 1798644340 QSMKNLRWDLGYRA-XJFOESAGSA-N 321.377 -0.591 30 20 DBED C[C@@H](S)C(=O)N1CCCC12CN(C(=O)[C@H]1CCC(=O)N1)C2 1846367727 MPOUIPXSHMZWIC-NXEZZACHSA-N 311.407 -0.213 30 20 DBED CCn1cc(C#N)c(=O)n(CC(=O)N(C)CC(F)(F)F)c1=O 77233262 XUSQEHGCDYMRJX-UHFFFAOYSA-N 318.255 -0.078 30 20 DBED C=CCN(CC(=O)NCCCOC)[C@@H]1CCS(=O)(=O)C1 121164028 ZUIIFFFISHFEAO-GFCCVEGCSA-N 304.412 -0.186 30 20 DBED C#Cc1cccc(NC(=O)C(=O)N2CCN(CCO)CC2)c1 180915072 GORLGVGXWRYUAW-UHFFFAOYSA-N 301.346 -0.257 30 20 DBED CCN1CN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CC1=O 191588535 MCPDAGOZEOFUGC-CQSZACIVSA-N 321.425 -0.200 30 20 DBED C[C@@](C#N)(NC(=O)COC(=O)CN1CCC(=O)NC1=O)C1CC1 215242381 GHNTYLWVBGELER-AWEZNQCLSA-N 322.321 -0.720 30 20 DBED CC/N=C(/NC[C@@H]1CN2CCN1CC2)N(C)C[C@H]1CCOC1 261607041 DRCJMORYXOPVJO-HUUCEWRRSA-N 309.458 -0.080 30 20 DBED C=CCNC(=O)CNS(=O)(=O)c1ccc(C(=O)OC)o1 272009183 FXDQMXSZMZBHML-UHFFFAOYSA-N 302.308 -0.353 30 20 DBED C#CCOc1ccccc1NC(=O)C(=O)NCCS(C)(=O)=O 274936299 MLCYZADXKXUZPR-UHFFFAOYSA-N 324.358 -0.202 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(c2ccc(C(N)=O)cn2)CC1 298784335 YLCLJVXROSWKCO-GFCCVEGCSA-N 315.377 -0.560 30 20 DBED CN/C(N)=N/Cc1ccc(S(=O)(=O)NCCOC)cc1 303257158 IWVHSGTZCJLBEC-UHFFFAOYSA-N 300.384 -0.355 30 20 DBED C=CCN(C(=O)[C@@H]1C[C@H](OC)CN1C)[C@@H]1CCS(=O)(=O)C1 328964832 MANZPUVJSJZVLL-AGIUHOORSA-N 316.423 -0.093 30 20 DBED CS(=O)(=O)NCC/N=C(/O)N1CCC(n2ccnc2)CC1 330590243 PXQGEAZMOXSIKC-UHFFFAOYSA-N 315.399 -0.017 30 20 DBED CN(C)C(=O)COC1CN(S(=O)(=O)c2cccnc2C#N)C1 332006529 ROCBDTDCSOBISA-UHFFFAOYSA-N 324.362 -0.569 30 20 DBED Cc1cc(NC(=O)CSCC(=O)N2CCO[C@H](C#N)C2)no1 332547390 CUUGRHNUBBDRJV-SNVBAGLBSA-N 324.362 0.406 30 20 DBED N#C[C@H]1CN(S(=O)(=O)N2CCC[C@@]23CCOC3)CCO1 341076378 JHHIDSXOAOGRQY-RYUDHWBXSA-N 301.368 -0.290 30 20 DBED CN(C)C[C@H](O)CNC(=O)C(=O)Nc1ccc(F)c(C#N)c1 343169424 NGGVEDLTOKPFKG-LLVKDONJSA-N 308.313 -0.325 30 20 DBED N#CCCn1ccc(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)n1 344295185 OHZFAWFYBVLKSP-UHFFFAOYSA-N 316.277 0.505 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O 346686297 KISXLIKGNPSTNX-BJDJZHNGSA-N 308.382 -0.028 30 20 DBED N#C[C@@]1(NC(=O)c2cn(CC(N)=O)nn2)CCc2ccccc2C1 350338485 YTTVYKAIDPUWTN-MRXNPFEDSA-N 324.344 -0.056 30 20 DBED C[C@H](C#N)S(=O)(=O)NCCCn1nc2n(c1=O)CCCC2 352405701 IYOIKPRIGJAPBT-SNVBAGLBSA-N 313.383 -0.397 30 20 DBED C[C@@H]1C[C@@H](O)CN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 355942115 CAYNKDZCZCPJEV-ZYHUDNBSSA-N 323.374 -0.182 30 20 DBED N#Cc1ccc(CNC(=O)CN2CC[C@@H](S(N)(=O)=O)C2)cc1 357378268 DEYPHQSASUQERH-CYBMUJFWSA-N 322.390 -0.463 30 20 DBED C=C[C@@H](CO)NC(=O)NC1CCN(S(=O)(=O)CC)CC1 358448403 FEFFWLOJHSALCX-JTQLQIEISA-N 305.400 -0.353 30 20 DBED C=CCOC[C@@H](NC(=O)CN(C)S(=O)(=O)CC)C(=O)OC 360724551 CKTBXQVDAJAZAP-SNVBAGLBSA-N 322.383 -0.872 30 20 DBED N#Cc1ccc(S(=O)(=O)N2CCN3C(=O)OC[C@@H]3C2)cn1 374570320 XTXHRFARLLOZRD-JTQLQIEISA-N 308.319 -0.222 30 20 DBED CN1CCC[C@@H]1CN(C)S(=O)(=O)N1CCO[C@@H](C#N)C1 420739137 OSVWSBAQLXOEOX-NEPJUHHUSA-N 302.400 -0.518 30 20 DBED C#CCN(CC#CC)C(=O)CCn1cc(S(N)(=O)=O)cn1 490675271 DSCQHSADGSWCQI-UHFFFAOYSA-N 308.363 -0.594 30 20 DBED C#C[C@H](CC)NC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 491803483 JOJNFKPCSRKEDG-UONOGXRCSA-N 307.394 -0.305 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)OC[C@@H]2CNC(=O)O2)cc1 497301167 ZLAUVFQWQUFUIB-NSHDSACASA-N 303.274 -0.060 30 20 DBED CN(C)S(=O)(=O)N(C)CC(=O)NCc1ccc(C#N)cc1 515064729 ZJNVCQFBFRKDJM-UHFFFAOYSA-N 310.379 -0.087 30 20 DBED N#C[C@H]1COCCN1C(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O 517401039 DCVZKHGNXRQOMV-SDDRHHMPSA-N 303.318 -0.311 30 20 DBED Cc1cc(NC(=O)CSCC(=O)N[C@@]2(C#N)CCOC2)no1 548139144 GADWCULZJMMBJN-CYBMUJFWSA-N 324.362 0.454 30 20 DBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(C)C[C@H]1CN 566905027 XKMNMMGZGJQDDI-MJBXVCDLSA-N 324.425 -0.815 30 20 DBED C=C[C@@H]1OCC[C@H]1NC(=O)CNS(=O)(=O)c1cccnc1 570654854 YCWZTNJKPITXLU-NEPJUHHUSA-N 311.363 -0.180 30 20 DBED C=CCOC[C@H](NS(=O)(=O)c1c(C)n[nH]c1C)C(=O)O 583629064 LUEUZWACSXEFMK-VIFPVBQESA-N 303.340 -0.039 30 20 DBED COC(=O)[C@]1(C)CCCN(c2c(C#N)c(=O)n(C)c(=O)n2C)C1 591199838 FTGHOOWNVWZEEW-OAHLLOKOSA-N 320.349 -0.265 30 20 DBED COC(=O)COCCNC(=O)C(=O)Nc1sccc1C#N 600045189 KNVXSKROYPEBTH-UHFFFAOYSA-N 311.319 -0.136 30 20 DBED CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CC[C@](F)(C#N)C1 615589263 GLBLMUBJVMQBAS-FZMZJTMJSA-N 310.329 -0.422 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@H]1CNS(N)(=O)=O 615937017 NAOVVTSSEVIOSZ-TUAOUCFPSA-N 317.411 -0.248 30 20 DBED C=C[C@@H](O)C(=O)NC[C@H](NS(=O)(=O)N(C)C)C1CCCC1 616206566 NTOMVJAFBHJWKJ-NWDGAFQWSA-N 319.427 -0.396 30 20 DBED C=C[C@](C)(CCOC)C(=O)N1CCN(S(=O)(=O)NC)CC1 651997266 PTVBARWXNVFZLF-CYBMUJFWSA-N 319.427 -0.176 30 20 DBED COC(=O)CN(CC(=O)O)CC(=O)NCc1cccc(C#N)c1 737615329 LJTUQBNWVAQFJR-UHFFFAOYSA-N 319.317 -0.266 30 20 DBED C#CCNS(=O)(=O)N1CCN(Cc2nc(CC)no2)CC1 761030737 LIRJKNNGRGAYEE-UHFFFAOYSA-N 313.383 -0.783 30 20 DBED CCN1CCN(CC(=O)NCc2ccc(C#N)cn2)C(=O)C1=O 782030630 TTYSCWCHLHNIIH-UHFFFAOYSA-N 315.333 -0.740 30 20 DBED C#CCOc1ccc(NC(=O)C(=O)N[C@@H]2CNC(=O)C2)cc1 784867188 FSQDUOQHPACIGO-NSHDSACASA-N 301.302 -0.358 30 20 DBED N#Cc1ccc(CNS(=O)(=O)N2CCO[C@@H](C#N)C2)nc1 800122297 ZDKYTHGPBWGWHN-LBPRGKRZSA-N 307.335 -0.488 30 20 DBED C#CCCS(=O)(=O)N(C)C1CCN(S(C)(=O)=O)CC1 808301212 KPSDJVPEIDUQFA-UHFFFAOYSA-N 308.425 -0.305 30 20 DBED N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@@H](CO)C2CC2)cc1 810937842 TTYHPZKTMMITAP-ZDUSSCGKSA-N 323.374 -0.276 30 20 DBED C=CCC(F)(F)C(=O)NCC(=O)NCCN1CCOCC1 815557195 OKCWOEDVOQTZHL-UHFFFAOYSA-N 305.325 -0.238 30 20 DBED CN1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NCC#CCO 822724161 BFTMVMNOKCBAON-LBPRGKRZSA-N 311.382 -0.351 30 20 DBED C#CCn1cc(CNC(=O)C2=C(C)N(C)c3nnnn3C2)cn1 834614866 ULTLCQUTTBBOKM-UHFFFAOYSA-N 312.337 -0.457 30 20 DBED C=CCN1CCN(CN2CCN(S(=O)(=O)CC)CC2)C1=O 839981420 GTETZPTYPVRRGX-UHFFFAOYSA-N 316.427 -0.165 30 20 DBED C#CCOCCNC(=O)C(=O)Nc1ccc2c(c1)CCNC2=O 850408167 BJZLZDRNWIIGNE-UHFFFAOYSA-N 315.329 -0.323 30 20 DBED C#CC[C@H](CCOC)NC(=O)NCCNS(=O)(=O)CC 858194756 IYLHNRPODFSUSN-LLVKDONJSA-N 305.400 -0.347 30 20 DBED C#CC[C@@H](COC)NS(=O)(=O)N(CCOC)CCOC 859427146 TYYMOKACJBAWBR-LBPRGKRZSA-N 308.400 -0.546 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2cc(CO)c(C)o2)CC1 865156515 LGMDQJBTJVSIRJ-UHFFFAOYSA-N 319.361 -0.412 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)c2ccnnc2)C1 944802869 MTACBVXKZMDEQN-PWSUYJOCSA-N 303.322 -0.407 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)[C@@H]1CN(C)CCO1)CCO2 949060551 GSHFEKSRXHWUBL-HNNXBMFYSA-N 321.421 -0.356 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H]1CNC(=O)c1nccnc1N 956189288 VCSZUYBYKGQVHA-ZJUUUORDSA-N 302.338 -0.061 30 20 DBED C#CCCN1C[C@H](O)[C@H](CNC(=O)c2nnn(C(C)(C)C)n2)C1 958077357 TVXZKFOPKFVCMF-NEPJUHHUSA-N 320.397 -0.526 30 20 DBED CC(=O)Nc1cc(C(=O)NC[C@@H]2CN(CC#N)C[C@H]2O)ccn1 958488499 BBLGDKSSTRGILT-CHWSQXEVSA-N 317.349 -0.414 30 20 DBED Cc1ccnn1CC(=O)N(C)[C@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1O 958848231 PLAKCWOKQGZDQZ-DRZSPHRISA-N 319.365 -0.619 30 20 DBED C#CCN1C[C@H]2C(NC(=O)[C@@H]3COCCN3CC(F)F)[C@@H]2C1 961375889 UWEGVMKNOBQXCU-UTUOFQBUSA-N 313.348 -0.368 30 20 DBED C[C@@H](C(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O)n1cccn1 961675498 ASTJSVLYDMSLBD-YUTCNCBUSA-N 316.361 -0.455 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H]2CN(C(=O)C3(C(N)=O)CC3)C[C@H]21 963828494 NYALQDKCTPAUPQ-SDDRHHMPSA-N 318.377 -0.139 30 20 DBED C#Cc1cncc(C(=O)N2CCC[C@@H](NC(=O)C(N)=O)CC2)c1 965156040 GXOHPBMZVWELSW-CYBMUJFWSA-N 314.345 -0.341 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)Cn3cncn3)C[C@@H]2O)C1 970399191 WJMZIANFGUYRJG-NEPJUHHUSA-N 319.365 -0.678 30 20 DBED O=C(C#CC1CC1)N1CC[C@@H]2CN(C(=O)Cn3nccn3)[C@@H]2C1 972351906 BBMUTFHWNSPJIJ-ZIAGYGMSSA-N 313.361 -0.249 30 20 DBED C#Cc1cncc(C(=O)N[C@H]2C[C@@H](NC(=O)Cn3cncn3)C2)c1 974405859 MQLBHLFKPFYUOX-OKILXGFUSA-N 324.344 -0.268 30 20 DBED C#CCN1C[C@@H]2CC[C@H](NC(=O)C3CC(=O)NC(=O)C3)C[C@H]2C1 980183289 KKXBWXQRJQYWRN-UBHSHLNASA-N 317.389 -0.111 30 20 DBED N#CCN1CCCN(C(=O)c2cn([C@H]3CCOC3)nn2)CC1 989440909 YHFQINMDYVABIV-LBPRGKRZSA-N 304.354 -0.089 30 20 DBED COc1c(O)nc(O)nc1C(=O)N1C[C@H](NCC#N)C[C@H]1C 989677720 YFYAERYLPWGJLN-HTQZYQBOSA-N 307.310 -0.387 30 20 DBED N#Cc1c[nH]c(C(=O)NC2CN(C(=O)[C@@H]3CCNC(=O)C3)C2)c1 990696362 RXKDKQDGYFQFSK-SNVBAGLBSA-N 315.333 -0.647 30 20 DBED N#CCN1CC[C@@]2(NC(=O)CN3CC(=O)NC3=O)CCC[C@@H]12 992339710 VDSWLDNKTISHQU-YGRLFVJLSA-N 305.338 -0.825 30 20 DBED C[C@H]1C[C@H](CNC(=O)c2cc(C#N)c[nH]2)CN1C(=O)CC(N)=O 1010079718 NMYMANTZOYXKEC-GXSJLCMTSA-N 317.349 -0.271 30 20 DBED Cc1cc(NC(=O)C(=O)N2CCN(C(=O)[C@H](C)C#N)CC2)no1 1011155630 GHQHRORRJBJZJM-SECBINFHSA-N 319.321 -0.248 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C(=O)C[C@H]2CCC(=O)N2C)CC1 1011882691 BYCZANBKMQQDIH-NWDGAFQWSA-N 306.366 -0.172 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@]2(NC(=O)Cn3ncnn3)CCC[C@@H]12 1014289917 BVRJGWYVTGDXAH-JTNHKYCSSA-N 317.353 -0.527 30 20 DBED C#CCCN1CC[C@@H](NC(=O)Cc2ccc(C(N)=O)nc2)C1 1014936482 DYIQDVSXRFQLLI-CYBMUJFWSA-N 300.362 -0.063 30 20 DBED C=C1CCC(C(=O)NC[C@@H]2CN(C(=O)C(N)=O)CCCO2)CC1 1019665622 NLHBSCQKLUIDRR-CYBMUJFWSA-N 323.393 -0.048 30 20 DBED C#CCN[C@H]1C[C@H](NC(=O)Cn2nnc(-c3ccco3)n2)C1 1020338543 QIXKAZJEGQAOBE-XYPYZODXSA-N 300.322 -0.197 30 20 DBED N#CCN1CC[C@H]2[C@H](CCCN2C(=O)CN2C(=O)CCC2=O)C1 1021729497 FNAAYBQBJYJUDV-OLZOCXBDSA-N 318.377 -0.028 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn3c(n2)CCC3)C1 1023961620 GYSZLNNQZAFQNK-HOSYDEDBSA-N 317.349 -0.710 30 20 DBED CN(C(=O)Cn1nc2ccccn2c1=O)[C@@H]1CCN(CC#N)C1 1033311505 HJNVBWAZDWNUBF-GFCCVEGCSA-N 314.349 -0.448 30 20 DBED C=C(Cl)CN1CCO[C@H](CNC(=O)[C@@H]2COCCO2)C1 1035295882 ZFGWCDZSYCNZFH-NEPJUHHUSA-N 304.774 -0.029 30 20 DBED C#CCCN1CCO[C@@H](CNC(=O)[C@@H]2CCCN2CC#C)C1 1035400648 PTGUXKYKNNTVKX-HOTGVXAUSA-N 303.406 -0.076 30 20 DBED N#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1nccnc1C(N)=O 1039467416 JFKFEOMQVXNKMM-MNOVXSKESA-N 314.349 -0.222 30 20 DBED C#CCCCC(=O)NC[C@@]1(O)CCN(C(=O)C2=COCCO2)C1 1039569137 NZOSQNLVVOETOQ-INIZCTEOSA-N 322.361 -0.242 30 20 DBED COCC(=O)N1CC[C@H]2OCCN(c3nccnc3C#N)[C@@H]2C1 1039989243 DZNYDJWUFVYQKX-CHWSQXEVSA-N 317.349 -0.199 30 20 DBED Cc1ocnc1C(=O)N1CC[C@](O)(CNC(=O)[C@@H](C)C#N)C1 1040759623 BXFNPRSZPCYPSL-XPTSAGLGSA-N 306.322 -0.164 30 20 DBED Cc1cnn(CC(=O)NCC2(O)CN(C(=O)C#CC(C)C)C2)c1 1041776065 MLYMNMMYKFHRFC-UHFFFAOYSA-N 318.377 -0.460 30 20 DBED C#CCN1CC[C@@]2(CCN(C(=O)[C@@H]3CN(C(C)=O)CCO3)C2)C1 1041810448 FEPVNOMLAWXRSX-DOTOQJQBSA-N 319.405 -0.209 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)[C@@H](CC)OC)C1 1041913445 KNNKSLVKUNXFPD-NWDGAFQWSA-N 314.382 -0.308 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)/C=C/C2CC2)C1 1042324370 UWDUBDDZIVITNS-NNNHXZLVSA-N 306.362 -0.320 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)[C@H]2CCCCO2)C1 1042568375 LKSILBBMXPSKOL-CYBMUJFWSA-N 324.377 -0.715 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(O)(CNC(=O)C2=CCOCC2)C1 1042716579 SRNKUYWEAKJGBF-HNNXBMFYSA-N 324.377 -0.650 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)C2(CF)CC2)C1 1043036095 IUKIGKDIEBPXGM-UHFFFAOYSA-N 312.341 -0.535 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCCCN2C)C1 1043769357 GZGRECBACWTUFJ-AWEZNQCLSA-N 321.421 -0.036 30 20 DBED N#Cc1cnc(N2C[C@H](O)[C@H](NC(=O)[C@H]3CCCOC3)C2)cn1 1043869955 VUBZCAKLQXEDBM-UHTWSYAYSA-N 317.349 -0.559 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)c2ccn(C)n2)C1 1044479105 UJWJXVOCJNYXOZ-UHFFFAOYSA-N 306.366 -0.065 30 20 DBED Cc1nonc1CC(=O)NCC1(O)CN(C(=O)C#CC(C)C)C1 1045644932 WEXUMFHYQVUVER-UHFFFAOYSA-N 320.349 -0.731 30 20 DBED C#CCN1CCC2(CC1)CO[C@@H](CNC(=O)[C@@H]1CCNC1=O)C2 1045677193 OFWKUQSEQYBZER-ZIAGYGMSSA-N 319.405 -0.257 30 20 DBED C=C1CC(C)(C(=O)N2CC(O)(CNC(=O)CCN(C)C)C2)C1 1045716779 OBQXHUORVQMFNY-UHFFFAOYSA-N 309.410 -0.016 30 20 DBED C#CCCN1CC[C@@](C)(NC(=O)c2cn(C)c(=O)nc2O)C1 1046830022 OFHUVKXCOWYPPH-OAHLLOKOSA-N 304.350 -0.297 30 20 DBED C#CCN1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 1046969059 VHXFTFKHTOSXTR-ZJUUUORDSA-N 300.309 -0.626 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCCS2(=O)=O)C1 1047406559 GSGRRPYYAIDYCJ-RWMBFGLXSA-N 314.407 -0.910 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)Cc2cn(C)nc2C)C1 1047409429 MDSAFGFPIBEDCB-GJZGRUSLSA-N 304.394 -0.202 30 20 DBED C=C(C)CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cc(=O)n(C)cn2)C1 1047414126 YRPXSOVKNWBGQR-KBPBESRZSA-N 320.393 -0.136 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CCN(C)C2=O)C1 1047420582 LIGALOKLUDDCLZ-IHRRRGAJSA-N 307.394 -0.618 30 20 DBED C#Cc1ccc(C(=O)N(C)[C@H]2CN([C@@H](C)C(N)=O)C[C@@H]2O)nc1 1047602021 VLTNKQAELUDXSJ-BPNCWPANSA-N 316.361 -0.946 30 20 DBED C=CCCC(=O)N(C)[C@H]1CN(C(=O)c2nccnc2N)C[C@@H]1O 1048510770 VRDQMIVYJKVUSO-QWRGUYRKSA-N 319.365 -0.331 30 20 DBED Cc1ncoc1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)C#N)C1 1049389212 USXQFBMEKMZSHF-LSJOCFKGSA-N 306.322 -0.214 30 20 DBED Cc1ncc(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)C#N)C2)[nH]1 1049389517 YNMVJGNWJAXCKL-UWJYBYFXSA-N 305.338 -0.479 30 20 DBED CC(C)C#CC(=O)N[C@H](C)[C@@H]1CCN(C(=O)Cn2ncnn2)C1 1050809958 WNTLCNJKCNBDKM-CHWSQXEVSA-N 318.381 -0.314 30 20 DBED C#CCCN1CCOC[C@@H]1CNC(=O)[C@H]1CCCN(C(N)=O)C1 1051012096 SXQSAVMXUPYEDU-KBPBESRZSA-N 322.409 -0.383 30 20 DBED C[C@@H]1CN(C(=O)CNC(N)=O)C[C@@H]1CNC(=O)C#CC(C)(C)C 1051933586 GLVBPSAKRLUDPI-NEPJUHHUSA-N 322.409 -0.085 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)[C@H]1CCCNC1=O)CCO2 1053296302 IQBBMWMOWPPFAU-ZDUSSCGKSA-N 305.378 -0.551 30 20 DBED COCc1nn(C)cc1C(=O)N[C@@H]1COC2(C1)CN(CC#N)C2 1053850817 FVCZLFLEBKYETI-NSHDSACASA-N 319.365 -0.337 30 20 DBED N#Cc1cnc(N2CCN(C(=O)CO[C@H]3CCOC3)CC2)cn1 1055911146 QSKJWIDKMXYREC-ZDUSSCGKSA-N 317.349 -0.198 30 20 DBED N#Cc1ccc(N2C[C@H]3C(NC(=O)[C@H]4CNC(=O)N4)[C@@H]3C2)nc1 1056392063 IYGBXYWJBBIGJO-GMTAPVOTSA-N 312.333 -0.815 30 20 DBED Cn1oc(C(=O)N2CC[C@@H](Nc3cnc(C#N)cn3)C2)cc1=O 1056618414 ZATWQAIWVFAZOM-SECBINFHSA-N 314.305 -0.033 30 20 DBED Cc1nnc(CC(=O)N[C@@H]2CCN(c3nccnc3C#N)C2)o1 1058347196 NLOFGDDLEBMKGN-SNVBAGLBSA-N 313.321 -0.023 30 20 DBED Cc1cc(N2CC[C@H](NC(=O)[C@@H]3CNC(=O)N3)C2)c(C#N)cn1 1058531085 GXPPPZDCBSYVGL-RYUDHWBXSA-N 314.349 -0.362 30 20 DBED N#Cc1nccc(N2CC[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)n1 1058544694 GZXUYZBTMPVGEJ-AEJSXWLSSA-N 300.322 -0.835 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)[C@@H](F)C(F)(F)F 1058660982 MJSMQNPIOSNBNF-HTQZYQBOSA-N 313.251 -0.016 30 20 DBED C=CCOCC(=O)NC[C@H]1COCCN1C(=O)c1cn(C)cn1 1061422707 ANGWMRJJMWBKCR-LBPRGKRZSA-N 322.365 -0.420 30 20 DBED CCOCC(=O)N1CCOC[C@@H]1CNC(=O)c1ccc(C#N)[nH]1 1061508735 QXZUGHLVNJQJKC-LBPRGKRZSA-N 320.349 -0.120 30 20 DBED CC(C)(C)C#CC(=O)NC[C@H]1COCCN1C(=O)c1nc[nH]n1 1061574828 DDBLCGWYLQDNOH-NSHDSACASA-N 319.365 -0.189 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H]1COCCN1C(=O)c1ncc[nH]1 1061585446 WVIPSUSQQSUEFR-RYUDHWBXSA-N 320.349 -0.595 30 20 DBED C=CCCC(=O)N1CCOC[C@H]1CNC(=O)[C@]1(C)CNC(=O)C1 1061716451 IZIQIZKGOCBUOR-WBMJQRKESA-N 323.393 -0.178 30 20 DBED Cc1cnn(C)c1C(=O)N1CCOC[C@H]1CNC(=O)[C@H](C)C#N 1061850434 GLAZNTAMHHMKFY-ZYHUDNBSSA-N 319.365 -0.155 30 20 DBED C#CCNC(=O)CC(=O)N1CCOC[C@H]1CNC(=O)C(C)(C)C 1061890486 IDQBFXXQTFTPKS-GFCCVEGCSA-N 323.393 -0.484 30 20 DBED C=CCCC(=O)N1CCOC[C@H]1CNC(=O)[C@@]1(C)CCNC1=O 1061903703 IGEDLIJMWRYCJD-WBMJQRKESA-N 323.393 -0.178 30 20 DBED N#Cc1cnc(N2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2COC(=O)N2)cn1 1062480926 DIGHPTCEGPETRA-GARJFASQSA-N 314.305 -0.754 30 20 DBED C#CCO[C@@H](C)C(=O)NC1(CNC(=O)CC(=O)NCC)CCC1 1062831189 WSIMYTQKIWTEMI-LBPRGKRZSA-N 323.393 -0.294 30 20 DBED CN(C(=O)Cn1ncnn1)[C@H]1CCN(c2ncccc2C#N)C1 1062980036 ICLHHDSBEZGOEB-LBPRGKRZSA-N 312.337 -0.323 30 20 DBED CN(C(=O)[C@H]1CNC(=O)N1)[C@@H]1CCN(c2ccc(C#N)cn2)C1 1063024921 KYLOLALGJRBKNL-VXGBXAGGSA-N 314.349 -0.328 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)[C@@H]2CCC(=O)NC2)CCC1 1064310681 ONLYLFUJSFGDDF-WDEREUQCSA-N 306.366 -0.173 30 20 DBED CC[C@@H]1CN(C(=O)C(N)=O)CC[C@H]1Nc1nccnc1C#N 1064413585 XPJFPJHIRWBHGY-NXEZZACHSA-N 302.338 -0.127 30 20 DBED C=CCCOCC(=O)NC[C@H]1CN(C(=O)c2cc[nH]n2)CCO1 1064892013 ZFYHTGYOBAATLQ-LBPRGKRZSA-N 322.365 -0.040 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H]1CN(C(=O)C#CC2CC2)CCO1 1065136991 KAPGZARDGOGHMP-DZGCQCFKSA-N 318.373 -0.218 30 20 DBED CC#CCCCC(=O)N1CCO[C@H](CNC(=O)c2cnn[nH]2)C1 1065481026 QAKIHMFARIWPGP-GFCCVEGCSA-N 319.365 -0.045 30 20 DBED C=CCC1(C(=O)NC[C@H]2CN(C(=O)C(N)=O)CCO2)CCCC1 1065556016 PHRDKNHTZVZPRI-LBPRGKRZSA-N 323.393 -0.048 30 20 DBED C=CCCCC(=O)NC[C@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)CCO1 1065627248 PVLXBMUXKXVVNU-XQQFMLRXSA-N 323.393 -0.192 30 20 DBED N#Cc1nccc(N2C[C@H]3CN(C(=O)Cn4nccn4)C[C@H]3C2)n1 1066032074 HQGCLPPDJITKDB-TXEJJXNPSA-N 324.348 -0.465 30 20 DBED C=CCOCC(=O)N1CC[C@@]2(CCCN(C(=O)C(N)=O)C2)C1 1069776791 SCDPYOJEBKZAHR-HNNXBMFYSA-N 309.366 -0.485 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H]2CCN(C)C2)C1 1070095986 CMQIXVKLDGOVCS-MCIONIFRSA-N 302.382 -0.796 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2cn(CC)cn2)C[C@@H]1n1ccnn1 1070312552 XPFQBPOFROJDGE-OCCSQVGLSA-N 313.365 -0.217 30 20 DBED C=CCOCC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2(C(N)=O)CC2)C1 1071812792 WBIMCZRZJDQSTH-MNOVXSKESA-N 309.366 -0.582 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1C 1071874333 IPOHYHXYCYIWMS-JOYOIKCWSA-N 317.349 -0.401 30 20 DBED C[C@H]1CN(C(=O)C2(NC(N)=O)CC2)C[C@@H]1NC(=O)C#CC1CC1 1071926116 SMSKYYMTWJJRCG-JQWIXIFHSA-N 318.377 -0.436 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H](C)[C@@H](NC(=O)C#CC(C)C)C1 1071936583 REFCZROZLQKLMG-KBPBESRZSA-N 317.389 -0.252 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](C)[C@@H](NC(=O)CS(C)(=O)=O)C1 1072035915 RJOJVEPXSSQLBZ-NEPJUHHUSA-N 314.407 -0.347 30 20 DBED CC#CCN1C[C@@H](NC(=O)CN2C(=O)CNC2=O)CC[C@@H]1C 1072054317 ATEMQWFSYDLAQK-RYUDHWBXSA-N 306.366 -0.469 30 20 DBED Cn1cc(CC(=O)N2CC[C@H]3OCCN(CC#N)[C@H]3C2)cn1 1074195701 YWTBWORDGQAFIW-UONOGXRCSA-N 303.366 -0.212 30 20 DBED C=C(C)C[C@H](C)C(=O)N1CCC(O)(CNC(=O)C(N)=O)CC1 1074683620 MMUIQLRZOZXYMK-NSHDSACASA-N 311.382 -0.456 30 20 DBED C=CCOCC(=O)N1CC[C@@H](NC(=O)Cn2nccn2)C[C@@H]1C 1075005595 CFUWDWKXRFIESU-QWHCGFSZSA-N 321.381 -0.024 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H](C)CCNC(=O)CN1CCCC1=O 1075566498 ZUCLPXCAFYEWLW-STQMWFEESA-N 323.393 -0.342 30 20 DBED CC(C)C#CC(=O)N[C@@H](C)CCNC(=O)[C@H]1CN(C)CCO1 1076027059 DVKUKCFINVNGRX-UONOGXRCSA-N 309.410 -0.013 30 20 DBED C#CCOCCC(=O)NCC[C@H](C)NC(=O)Cc1nnc(C)o1 1076504246 RWQLRAQDISNDMI-NSHDSACASA-N 322.365 -0.029 30 20 DBED CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 1080419589 BZUDXAOGATVTJD-OUCADQQQSA-N 322.409 -0.076 30 20 DBED CCN(CC)CC(=O)NC1(CO)CCN(C(=O)[C@@H](C)C#N)CC1 1080868970 SKWSOGMRWQVLPB-ZDUSSCGKSA-N 324.425 -0.042 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2ccn(C)n2)C[C@H]1O 1081347228 SMHVDZLXVAESCV-WCQYABFASA-N 322.365 -0.828 30 20 DBED C=CCCC(=O)N1C[C@H](CNC(=O)c2cn(C)cn2)[C@@H](O)C1 1081406970 AYZZZYYQCNCDPI-AAEUAGOBSA-N 306.366 -0.065 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(C(=O)CN2CCCC2)C[C@@H]1O 1081474551 RQZRWDONTFFRHA-GJZGRUSLSA-N 319.405 -0.569 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(C(=O)c2ccc[nH]2)C[C@@H]1O 1081484890 CXMCTTDKYFIXCI-OCCSQVGLSA-N 319.361 -0.396 30 20 DBED C#CCN1C[C@@H](NC(=O)CN2C(=O)CC(C)(C)C2=O)[C@H](OC)C1 1081668521 NOUOORBJFWCYEK-VXGBXAGGSA-N 321.377 -0.780 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)C[C@H]1CCCS1(=O)=O 1081985285 LWFMCJGKHCZASD-IJLUTSLNSA-N 315.395 -0.707 30 20 DBED CC#CCN1C[C@@H](NC(=O)C[C@@H]2CCC(=O)N2C)[C@H](OC)C1 1082017643 SFWSHKKRNBDZIW-BFHYXJOUSA-N 307.394 -0.164 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CCCN1C(C)=O 1083252633 WCPVQEBSCJZFAD-HRCADAONSA-N 319.405 -0.068 30 20 DBED C#CCCN1CC[C@@H]2CCN(C(=O)C[C@@H]3CC(=O)NC3=O)C[C@@H]21 1085108809 WHGQOQCDCNVGGA-RDBSUJKOSA-N 317.389 -0.015 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CC[C@@H](C)N(c2nccnc2C#N)C1 1089130001 SYSFZYIHYPOJIN-GHMZBOCLSA-N 316.365 -0.042 30 20 DBED N#Cc1cnc(N2C[C@@H](O)[C@H](NC(=O)COCC3CC3)C2)cn1 1090396018 UMFOKABABFTLRD-CHWSQXEVSA-N 317.349 -0.559 30 20 DBED C#CCCN1CC[C@H](NC(=O)Cc2ccc(O)nc2)[C@H](O)C1 1090442270 RNNSWPOMRCZNEC-UONOGXRCSA-N 303.362 -0.096 30 20 DBED C=CCN1CC[C@@H](NC(=O)Cc2nc3ncccn3n2)[C@H](O)C1 1090808943 QLQNJGGXIHDECT-VXGBXAGGSA-N 316.365 -0.596 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2c(C)nn3cccnc23)[C@@H](O)C1 1090821272 ZPYWWLGXXPVTOG-OLZOCXBDSA-N 313.361 -0.164 30 20 DBED CS[C@H](C)C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1091065921 JOZMDPRLXNPKMR-IEBDPFPHSA-N 307.379 -0.235 30 20 DBED N#Cc1ccc(NC2CC(CNC(=O)CCNC(N)=O)C2)nn1 1092218974 SGQUKYDVRXXGTL-UHFFFAOYSA-N 317.353 -0.287 30 20 DBED N#Cc1cnc(NCCNC(=O)c2cccc(C(N)=O)n2)cn1 1093686133 CDHRZSJGDHEINK-UHFFFAOYSA-N 311.305 -0.316 30 20 DBED CCOc1nc(C(=O)NCCN=c2cc[nH]c(C#N)n2)co1 1094250251 XKPGVXYZIDGYLU-UHFFFAOYSA-N 302.294 -0.001 30 20 DBED CCS(=O)(=O)CC(=O)NCCCNc1nccnc1C#N 1094455816 KALDFJAWJKWCHJ-UHFFFAOYSA-N 311.367 -0.299 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)c3ccsn3)CC2=O)C1 1094749153 LYJPNOLMGOOYSV-JTQLQIEISA-N 304.375 -0.209 30 20 DBED Cc1nccn1CC(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1 1094817164 KIVIXGPBGBYGPQ-LBPRGKRZSA-N 316.365 -0.884 30 20 DBED CC(=O)N[C@H](C)C(=O)N1CCCN(c2ccc(C#N)nn2)CC1 1095161562 XZGCQIDLDAUAEW-LLVKDONJSA-N 316.365 -0.088 30 20 DBED CN(CCCNC(=O)[C@H]1C[C@H]1C(N)=O)c1ccc(C#N)nn1 1095739230 CCLPXELZCFMGOU-MNOVXSKESA-N 302.338 -0.588 30 20 DBED CCN(CCCNC(=O)Cn1cnnn1)c1ccc(C#N)nn1 1095835670 XEDSIVFRUXPIQM-UHFFFAOYSA-N 315.341 -0.632 30 20 DBED CCCC(=O)NCC(=O)N[C@H]1CCN(c2cnc(C#N)cn2)C1 1096327083 IZWADRLZENKRQD-NSHDSACASA-N 316.365 -0.041 30 20 DBED C[C@H](CC(N)=O)C(=O)N[C@H]1C[C@H](Nc2nccnc2C#N)C1 1097086726 VRZYOASPLSBOLM-OPRDCNLKSA-N 302.338 -0.081 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CCNC(=O)C1)Nc1cncc(C#N)n1 1097773304 ABIOXPRDGKLCNZ-VHSXEESVSA-N 302.338 -0.209 30 20 DBED CN(c1cncc(C#N)n1)[C@H]1CCCN(C(=O)CNC(N)=O)C1 1098680625 KUKYBOSKUIOTOP-NSHDSACASA-N 317.353 -0.556 30 20 DBED COC[C@@H](OC)C(=O)N1CC[C@@H](n2cc(CNCC#N)nn2)C1 1098721796 KSYHVADYLIMRLN-CHWSQXEVSA-N 322.369 -0.674 30 20 DBED C#CCN1CC[C@@H](NC(=O)CNC(=O)C2CCCC2)[C@@H](O)C1 1099846813 CCQFWVIDCLKZIP-KGLIPLIRSA-N 307.394 -0.523 30 20 DBED C=CCCCN1CC[C@H](NC(=O)CCS(C)(=O)=O)[C@H](O)C1 1099894466 LHEXTJPMOFFMIQ-QWHCGFSZSA-N 318.439 -0.061 30 20 DBED C=CCCCC(=O)N[C@@H]1CCN(CCOCCO)C[C@H]1O 1099973520 FGWJTUGIYRMGAH-ZIAGYGMSSA-N 300.399 -0.097 30 20 DBED C#CCCN1CC[C@H](NC(=O)C2(C(=O)N(C)C)CC2)[C@@H](O)C1 1100072443 VQBIWZKPNJUWGE-STQMWFEESA-N 307.394 -0.571 30 20 DBED C[C@@H](C(=O)NCCN(C)c1ccnc(C#N)n1)[C@H]1CCC(=O)N1 1100334261 WAAJHKBEFCKFQU-GHMZBOCLSA-N 316.365 -0.185 30 20 DBED Cc1cc(C#N)nc(N(C)CCNC(=O)[C@H]2CC(=O)N(C)C2)n1 1100383484 CFRJNEAGFMUQJX-NSHDSACASA-N 316.365 -0.313 30 20 DBED CCN(CCNC(=O)CNC(=O)NC)c1nccnc1C#N 1100750320 RRAGKVLQLCJHDR-UHFFFAOYSA-N 305.342 -0.780 30 20 DBED N#Cc1cccnc1N1CCC[C@@H]1CNC(=O)Cn1cnnn1 1100776378 GVFZBDSTEJKAHM-GFCCVEGCSA-N 312.337 -0.275 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)[C@@H](C)CCOC)C1 1101002493 BJZBTPREMCFMBH-HSBZDZAISA-N 309.410 -0.107 30 20 DBED COCC#CCN1C[C@@H](C)[C@H](CNC(=O)CNC(=O)C2CC2)C1 1101758538 VUVZKMVINPEEDO-UKRRQHHQSA-N 321.421 -0.154 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)C[C@H]1CCN(C)C1=O 1101825985 YJCZKOVJAROJFC-LLVKDONJSA-N 316.365 -0.491 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1CNC(=O)[C@@H]1CCCCO1 1101881140 KVMKMVZRHCUGAI-MCIONIFRSA-N 322.409 -0.121 30 20 DBED C=CCCN1C[C@@H](C)[C@H](CNC(=O)Cn2c(O)nnc2O)C1 1102530236 JSKRCVTWRCNSSM-GHMZBOCLSA-N 309.370 -0.051 30 20 DBED CN(C)C(=O)CC(=O)N(C)[C@@H]1CCN(c2cnc(C#N)cn2)C1 1102764878 KGGCEGXSDFTMPR-GFCCVEGCSA-N 316.365 -0.136 30 20 DBED CC[C@H](CNC(=O)c1nnn(C)c1C)N=c1cc[nH]c(C#N)n1 1103008576 DILTZJZOZXSLGI-SNVBAGLBSA-N 314.353 -0.172 30 20 DBED CC[C@H](CNC(=O)CCc1nc[nH]n1)N=c1cc[nH]c(C#N)n1 1103019768 WYMWZSZXQVVDCH-SNVBAGLBSA-N 314.353 -0.172 30 20 DBED CC[C@H](CNC(=O)[C@@H]1CCC(=O)N1C)N=c1cc[nH]c(C#N)n1 1103275253 GNMRSUMUTYKSOQ-MNOVXSKESA-N 316.365 -0.302 30 20 DBED CC(=O)N(C)CC(=O)N1CCC[C@@H]1CN=c1cc[nH]c(C#N)n1 1103792860 XMSCMFFNVSETIJ-GFCCVEGCSA-N 316.365 -0.349 30 20 DBED C[C@H](CNC(=O)[C@@H]1CN(C)CCO1)CNc1cnc(C#N)cn1 1103889898 KIIATJVXLFRPHM-AAEUAGOBSA-N 318.381 -0.157 30 20 DBED C#CCCNCC[C@@H]1CN(C(=O)c2nnc(O)nc2O)C[C@H]1C 1104386058 BJVFHQYISKRBEX-GHMZBOCLSA-N 319.365 -0.006 30 20 DBED N#CCNCc1cn(C2CN(C(=O)Cc3ccon3)C2)nn1 1105199817 JEKHQWWMNIVZFK-UHFFFAOYSA-N 301.310 -0.495 30 20 DBED CC#CCNCc1cn(C2CN(C(=O)[C@@H]3CCC(=O)N3)C2)nn1 1105365161 JODPKAJOBGAZTH-ZDUSSCGKSA-N 316.365 -0.947 30 20 DBED Cc1nnc(CC(=O)NC[C@@H](O)CNc2cnc(C#N)cn2)o1 1105815792 NAXWTJWIDTVHTB-JTQLQIEISA-N 317.309 -0.829 30 20 DBED C[C@@H]1CN(C(=O)c2ccon2)C[C@H]1CNCC(=O)NCC#N 1105874423 IMJMFCZCXWUVMB-GHMZBOCLSA-N 305.338 -0.388 30 20 DBED Cc1cc(C#N)nc(NC[C@H](O)CNC(=O)CCCC(N)=O)n1 1105883030 QFGAIIUZXMJBOX-LLVKDONJSA-N 320.353 -0.799 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H](O)CNc1ncccc1C#N 1105970495 IMNWLKRGTHBCFH-DGCLKSJQSA-N 302.334 -0.119 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1C 1106084193 CDZMTVBHVIARJR-CHWSQXEVSA-N 305.382 -0.237 30 20 DBED CN(CC(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1)C1CCC1 1106155080 TZRNKKOFJLICCK-LBPRGKRZSA-N 318.381 -0.857 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)[C@@H]1C[C@@H]1C(=O)OC 1106698687 IOSSRJFPXRMALV-MNOVXSKESA-N 317.349 -0.160 30 20 DBED CN1CCO[C@H](C(=O)NC/C=C/CNc2cnc(C#N)cn2)C1 1107094301 YRJNLJHBJMFZGZ-IBUXWKBASA-N 316.365 -0.237 30 20 DBED CC(=O)N1CC(C(=O)N[C@H](C)CN=c2cc[nH]c(C#N)n2)C1 1107695328 DDAQUXNPJTVVJS-SECBINFHSA-N 302.338 -0.835 30 20 DBED C[C@H](CNc1nccnc1C#N)NC(=O)[C@H]1CCS(=O)(=O)C1 1108000911 GNCWKCQCELDTSM-ZJUUUORDSA-N 323.378 -0.300 30 20 DBED C#CCCN1CCO[C@@](C)(CNC(=O)CCS(C)(=O)=O)C1 1108026710 BQAMSCANKATZLQ-AWEZNQCLSA-N 316.423 -0.349 30 20 DBED C[C@H](CNc1cnc(C#N)cn1)NC(=O)[C@@H]1CCC(=O)N1C 1108046702 GZMILVKHURMEHQ-KOLCDFICSA-N 302.338 -0.114 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)c2c[nH]c(C(N)=O)c2)C1 1108400847 LILVMJMNAWMLQA-OAHLLOKOSA-N 304.350 -0.433 30 20 DBED CS(=O)(=O)CC(=O)N[C@H]1[C@H]2C[C@H]1N(c1cnc(C#N)cn1)C2 1109692910 HXUNAYLEUAFGCX-PLMOITTCSA-N 321.362 -0.914 30 20 DBED CCNC(=O)CC(=O)N[C@H](CN=c1cc[nH]c(C#N)n1)C1CC1 1109815338 XLRBVKWAUQSUKI-LLVKDONJSA-N 316.365 -0.397 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H]1CCCN1C(=O)CNC(N)=O 1110530070 MALWLWXSPYSKPL-NSHDSACASA-N 302.338 -0.554 30 20 DBED C[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC#N 1111065007 LUHCATQHIGQMSX-ZDCRXTMVSA-N 300.384 -0.831 30 20 DBED Cn1nccc1C(=O)N(CCO)CCNc1ccc(C#N)nn1 1111432360 JLTZUSXIHZNCDJ-UHFFFAOYSA-N 315.337 -0.372 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1COCCN1c1nccnc1C#N 1111663199 QTQSKSYAUIFVPV-MNOVXSKESA-N 300.322 -0.171 30 20 DBED C[C@@H](CC(=O)N1C[C@@H](NCC#N)[C@H](C(F)(F)F)C1)NC(N)=O 1112101467 OGOYZWUHDKKDOM-DJLDLDEBSA-N 321.303 -0.064 30 20 DBED CNC(=O)CC(=O)N1C[C@H](C)[C@@H](N=c2cc[nH]c(C#N)n2)C1 1112308684 LMSUQZPAXGPUAC-UWVGGRQHSA-N 302.338 -0.835 30 20 DBED N#Cc1cnc(N2CCC(CO)(NC(=O)C(N)=O)CC2)c(F)c1 1112673492 PMBQBZLPDSSJAT-UHFFFAOYSA-N 321.312 -0.975 30 20 DBED CC(C)CNC(=O)NC(=O)CN1CCN(C(=O)[C@H](C)C#N)CC1 1112711061 OTTODYQECVSAAG-GFCCVEGCSA-N 323.397 -0.228 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(c2ccnc(C)n2)C[C@@H]1O 1112737321 ASDKSYWJZAXGDZ-KGLIPLIRSA-N 318.377 -0.262 30 20 DBED CN(C)CCC(=O)NC[C@@H]1CN(c2ncccc2C#N)C[C@@H]1O 1112754778 GTPOVHNFRLMISL-KGLIPLIRSA-N 317.393 -0.182 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)c2ncccc2O)CC1 1112784179 VBAMDHBCKISNHU-GFCCVEGCSA-N 316.361 -0.317 30 20 DBED C#CCN1CCN(C(=O)[C@H](Cc2cnc[nH]2)NC(C)=O)CC1 1113287636 NBNHYNMEKHMSSL-AWEZNQCLSA-N 303.366 -0.766 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)Cc2cnc[nH]2)CC1 1113385073 YBDRXDDLLCIGGG-GFCCVEGCSA-N 303.366 -0.766 30 20 DBED C[C@H](CNC(=O)[C@@H]1CNC(=O)N1)N(C)c1ccncc1C#N 1113869694 QVNILTARPKIVNS-KOLCDFICSA-N 302.338 -0.424 30 20 DBED Cc1ccc(CC(=O)N[C@H]2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]32)o1 1114146590 CUVXLLOWUSPUSR-VIKVFOODSA-N 316.361 -0.183 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1[C@@H]2CN(Cc3ccccn3)C[C@@H]21 1114157646 JFFHKEZRNBUICY-HALDLXJZSA-N 312.373 -0.233 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)Cc3cncnc3)[C@H]2C1 1114186999 MJDPIOQNCPGUPY-VIKVFOODSA-N 315.377 -0.632 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)c3ncc[nH]3)[C@@H]2C1 1114237929 VSZNQNNKSSWDFZ-HBNTYKKESA-N 303.366 -0.240 30 20 DBED C#CCO[C@H](C)C(=O)NC1[C@@H]2CN(CC(=O)N(CC)CC)C[C@@H]12 1114271159 QJKKEVGJTOBOTH-MGPQQGTHSA-N 321.421 -0.061 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)Cn3nccc3C)[C@H]2C1 1114893899 ACWJCFZJXAQLKT-FOLVSLTJSA-N 302.378 -0.112 30 20 DBED C[C@@H](CCCNc1nccnc1C#N)NC(=O)Cn1ncnn1 1115012257 LTNYSACMGOYOLW-JTQLQIEISA-N 315.341 -0.268 30 20 DBED C#Cc1ccc(C(=O)NC2[C@H]3CN(CC(=O)NCC#N)C[C@H]23)nc1 1115144339 VFTKQZNCLCAZTE-STQMWFEESA-N 323.356 -0.637 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)[C@@H]3CCCN3C(N)=O)[C@H]2C1 1115346174 SLCRSNZATXFUON-RFQIPJPRSA-N 320.393 -0.774 30 20 DBED N#Cc1cccc(NC(=O)C(=O)NCCCN2CCOCC2)n1 1118200561 KYCHZMISDBOCCB-UHFFFAOYSA-N 317.349 -0.270 30 20 DBED C[C@@H](CN(C)C(=O)Cn1ncnn1)Nc1cnc(C#N)cn1 1120128070 GCYGIRXSNOYKHF-VIFPVBQESA-N 301.314 -0.706 30 20 DBED C=CCNC(=O)CN1CCC[C@H]1[C@@H]1CCCN(C(=O)C(N)=O)C1 1120423445 UOBCTHWPZYMCBN-OLZOCXBDSA-N 322.409 -0.523 30 20 DBED Cc1cc(=N[C@H](C)CN(C)C(=O)[C@H]2CNC(=O)N2)c(C#N)c[nH]1 1120632834 DLFSYTSEMDNJMZ-ZWNOBZJWSA-N 316.365 -0.376 30 20 DBED C#CCNC1CC2(C1)CC(NC(=O)CCNS(C)(=O)=O)C2 1121189714 ZXCFMRGFJFWZSB-UHFFFAOYSA-N 313.423 -0.424 30 20 DBED CCO[C@@H](C)C(=O)NC[C@H](CO)N=c1cc(C)[nH]cc1C#N 1121220796 IMAMMFFNXGVQTB-WCQYABFASA-N 306.366 -0.002 30 20 DBED N#Cc1nccnc1N[C@H](CO)CNC(=O)Cc1cncnc1 1121412734 TXFDYNSKOVCNBQ-NSHDSACASA-N 313.321 -0.730 30 20 DBED COC[C@H](C)CC(=O)NC[C@@H](CO)N=c1cc[nH]cc1C#N 1121984569 JFQNOKNTBYUXAY-YPMHNXCESA-N 306.366 -0.063 30 20 DBED Cc1nc(N[C@H](CO)CNC(=O)c2cnn[nH]2)ccc1C#N 1122880615 UTJAUJPMFRMFQO-JTQLQIEISA-N 301.310 -0.417 30 20 DBED C#C[C@@H](NC(=O)NCCN1CCC2(C1)OCCO2)[C@H]1CCCO1 1123707823 LJSKCOQPNQBQTB-ZIAGYGMSSA-N 323.393 -0.085 30 20 DBED C#CCOCCC(=O)N(C)C[C@H](O)CNc1cc(F)ncn1 1124518626 BVLDLIRWIZDNIG-LLVKDONJSA-N 310.329 -0.113 30 20 DBED CN(C[C@H](O)CN(C)c1cncc(C#N)n1)C(=O)[C@@H]1CCCO1 1124938622 BDHCMAHDWQLRPR-OLZOCXBDSA-N 319.365 -0.217 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C[C@@H](O)CN(C)c1cnc(F)cn1 1125161579 KPECLQJDEAVQRS-RYUDHWBXSA-N 324.356 -0.091 30 20 DBED C#CCOCCC(=O)NCCNC[C@@H](C)CS(C)(=O)=O 1127023261 GQKNSMIBASTNRL-GFCCVEGCSA-N 304.412 -0.587 30 20 DBED CNC(=O)CC(=O)NCC1=CCN(c2cnc(C#N)cn2)CC1 1127624044 XKOGRGQZVNNTEH-UHFFFAOYSA-N 314.349 -0.263 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H](C2CC2)N(C)C)C1 1129043088 GPCJBQKLAMQXSE-ILXRZTDVSA-N 316.409 -0.407 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cnc2[nH]ncc2c1 1130089359 KWQHDIHVRPGSNF-UHFFFAOYSA-N 300.322 -0.973 30 20 DBED C#CCNC[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C(F)F)n1 1130175464 KVKPKAJZIJGNMS-IUCAKERBSA-N 313.308 -0.219 30 20 DBED N#Cc1ccc(CNCCNC(=O)[C@H]2CNC(=O)N2)cc1F 1133129423 YIDKIQZPJCWEOY-GFCCVEGCSA-N 305.313 -0.415 30 20 DBED C=CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)CNC(=O)C1CC1 1133772591 ASAIJMKLBYJYGX-VXGBXAGGSA-N 324.425 -0.312 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)CN2CCC[C@H]2C)C1=O 1133824038 WJWXKCVNWSKRML-KGLIPLIRSA-N 308.426 -0.037 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@@H]1CCn2c(cnc2C)C1 1133869710 JXZJSJFFTZQGOA-CYBMUJFWSA-N 319.409 -0.238 30 20 DBED COc1ccc(C#N)cc1CNCCNC(=O)[C@H]1C[C@H]1C(N)=O 1133943267 LXOZYLPYDBHDOR-OLZOCXBDSA-N 316.361 -0.106 30 20 DBED CO[C@@H](C)CC(=O)N1CC2(CCN(CC(=O)NCC#N)C2)C1 1147217378 BYVULNVGWSMJCV-LBPRGKRZSA-N 308.382 -0.415 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC2(CCN([C@H]3CCN(C)C3=O)C2)C1 1147541375 OEOVECQXDDJQOR-KBPBESRZSA-N 319.405 -0.210 30 20 DBED CC(=O)Nc1ccc(C(=O)NCCNCC(=O)NCC#N)cc1 1148820032 ASGWWRRBPRLDOD-UHFFFAOYSA-N 317.349 -0.396 30 20 DBED C=CCCCCCNCCNC(=O)c1cn(CC(N)=O)nn1 1152415155 VQZSGWQOPVEJQR-UHFFFAOYSA-N 308.386 -0.171 30 20 DBED C#CCN(C)C[C@H]1CCCCN1C(=O)CN1C(=O)CNC1=O 1158838399 WPFWYPQRTMCGBX-GFCCVEGCSA-N 306.366 -0.516 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1cn2cccnc2n1 1161781314 BNWDKHGSYUBWEC-UHFFFAOYSA-N 314.349 -0.812 30 20 DBED COCC#CCNCC1(CCNC(=O)[C@H]2CN(C)CCO2)CC1 1163941107 YANLGMSBJRUQKU-OAHLLOKOSA-N 323.437 -0.157 30 20 DBED C#CCNCC1(CCNC(=O)[C@@H](CCC)S(N)(=O)=O)CC1 1166380865 OBEJRMDREKQNTE-GFCCVEGCSA-N 315.439 -0.047 30 20 DBED C#CCNC(=O)CNCCCC[C@H](C)NC(=O)c1cn(C)nn1 1170577614 NJNPUYMFXOSSTQ-LBPRGKRZSA-N 320.397 -0.557 30 20 DBED CC#CCN1CCO[C@H]2CCN(C(=O)CCCC(N)=O)C[C@@H]21 1177162595 MQXHIOWFXDJJBU-KBPBESRZSA-N 307.394 -0.033 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@H](NCc2ncnn2C)[C@@H]1C 1178678238 CTGIITOMOKGDBC-AVGNSLFASA-N 305.382 -0.068 30 20 DBED C#CCCNCCCCCCNC(=O)C[C@H](NC(C)=O)C(N)=O 1179753237 JLLFXBRVCQSBML-AWEZNQCLSA-N 324.425 -0.344 30 20 DBED C=CCNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)COCC)C1 1180787284 GTBMSUHXZIAQST-LLVKDONJSA-N 312.370 -0.775 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CCN(C)C(=O)C2)C1 1183683414 IZJLMEHHRAUKLV-CHWSQXEVSA-N 322.409 -0.653 30 20 DBED CC#CCNC[C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)C[C@H]1C 1185325383 BDPXEMIJGGUFSC-OLZOCXBDSA-N 320.393 -0.364 30 20 DBED CN(CC(=O)NCC#N)[C@H]1CCN(C(=O)c2ccccn2)C1 1188626726 WDRROBYCJQIMDX-LBPRGKRZSA-N 301.350 -0.132 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2ccccc2)C1 1190685121 SAJJALAEWLOCDV-ZIAGYGMSSA-N 303.362 -0.236 30 20 DBED C=CCN1CC[C@H](N2C[C@@H](O)[C@H](NC(=O)CSC)C2)C1=O 1190905416 VCRNHJLFKZTONU-GRYCIOLGSA-N 313.423 -0.702 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)[C@H]2CCCCN2C)C1 1190948025 SGPLPZLRMQTOHB-LSDHHAIUSA-N 320.437 -0.247 30 20 DBED COCC#CCN(C)[C@@H]1CCN(C(=O)COc2cnn(C)c2)C1 1191980593 WQWRYKANHQEGAX-CQSZACIVSA-N 320.393 -0.019 30 20 DBED Cn1cc(CCN2C[C@@H](O)[C@H](NC(=O)C#CC3CC3)C2)cn1 1192821047 GIRMOQDNXVHIQB-HUUCEWRRSA-N 302.378 -0.463 30 20 DBED C#CCN(C)[C@@H]1CCN(C(=O)CNS(=O)(=O)CCCC)C1 1193736355 MTAVZQJCRQIXDJ-CYBMUJFWSA-N 315.439 -0.128 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C2(C)C[C@H]3C[C@@H]3C2)C1 1194893277 QAAHHEGUPRFAIL-AAVRWANBSA-N 319.405 -0.667 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)C[C@H]2CCC(=O)N2)CC1 1197410381 FFANTOMKACFJDD-CYBMUJFWSA-N 322.409 -0.508 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)CNC(=O)c2ccccc2F)C1 1198638580 KSXYHRZZCVHEJU-CHWSQXEVSA-N 320.324 -0.760 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)[C@H]2CCOC2)CCCO1 1200019013 CWOSVRAYOKXQGY-LSDHHAIUSA-N 310.394 -0.120 30 20 DBED N#CCNC(=O)CNC1CCN(C(=O)CO[C@H]2CCOC2)CC1 1200541925 UHGGGCFLALPGPT-ZDUSSCGKSA-N 324.381 -0.988 30 20 DBED C#CCCNC1CCN(C(=O)[C@@H]2Cc3cncn3C(=O)N2)CC1 1201750739 BWJOXYRKQBYQIA-AWEZNQCLSA-N 315.377 -0.031 30 20 DBED C=CCCNC1CCN(C(=O)CNS(=O)(=O)N(C)C)CC1 1202698785 AASGLJSMEWVGJF-UHFFFAOYSA-N 318.443 -0.461 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)Cn2ccnc2C)CC1 1203708933 HKLFUIJAYUSHQY-UHFFFAOYSA-N 317.393 -0.478 30 20 DBED CNC(=O)NCC(=O)N1CCC(CNCC#CCOC)CC1 1205425557 ZYRYHEXOWLRASU-UHFFFAOYSA-N 310.398 -0.607 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2snnc2C)[C@H](C)C1 1205921703 LGLKTXIETNLYOX-MWLCHTKSSA-N 321.406 -0.354 30 20 DBED CC(=O)CCCC(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1205977646 AVNKNNRZFHUPAY-DGCLKSJQSA-N 308.382 -0.178 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)c1ccc(F)nc1 1206592378 JAEYRKDPKFPLPZ-ZYHUDNBSSA-N 319.340 -0.089 30 20 DBED CC#CCN1C[C@@H](NC(=O)CN(C)S(C)(=O)=O)[C@H](C)C1 1207315682 WGHBIUDCQPBJME-VXGBXAGGSA-N 301.412 -0.662 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2cncn2C)[C@H](C)C1 1207874528 NLWYLJZKTHDJQI-VXGBXAGGSA-N 303.366 -0.780 30 20 DBED CN1CCC(C(=O)N2CCC[C@H](NCC(=O)NCC#N)C2)CC1 1209408774 XWXLHEBPVFTMHK-AWEZNQCLSA-N 321.425 -0.451 30 20 DBED COCC#CCN1C[C@@H](NC(=O)C2(C(=O)N(C)C)CC2)[C@H](C)C1 1210205871 CVNDMGACNYSJTB-ZIAGYGMSSA-N 321.421 -0.059 30 20 DBED C#CCCN1C[C@@H](NC(=O)CS(=O)(=O)N(C)C)[C@H](C)C1 1210700511 POEPGNXGKNTIEW-VXGBXAGGSA-N 301.412 -0.662 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)CSC)[C@H](OC)C1 1211828110 TWDZIGRRSVXLEL-QJPTWQEYSA-N 313.423 -0.697 30 20 DBED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)[C@H]1CC[C@@H](C)O1 1213462747 ONDDMGOQVREKPV-FDYHWXHSSA-N 324.381 -0.991 30 20 DBED COCCC1(C(=O)N2C[C@@H](NCC(=O)NCC#N)[C@H](C)C2)CC1 1214817992 WQRUNZQEOVFVOW-CHWSQXEVSA-N 322.409 -0.121 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CCC(=O)NC2)C[C@H]1C 1215033639 HROKPQJHSUDLRX-JHJVBQTASA-N 322.409 -0.749 30 20 DBED C=CCOCC(=O)N1CCO[C@@H]2CN(C[C@@H](O)COC)C[C@@H]21 1217533527 WVCAELJCYOMKLK-HZSPNIEDSA-N 314.382 -0.892 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H](C)n2cccc2)C1 1219469628 SSEVYPMOJYKLMD-MCIONIFRSA-N 320.393 -0.487 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(CC2CCOCC2)C[C@@H]1O 1219535806 GNNPIJDVMAJPDS-IJEWVQPXSA-N 312.410 -0.099 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@@H](CC2CCC2)NC(C)=O)C1 1220214840 NGHUWYUJPICMJA-OAGGEKHMSA-N 321.421 -0.134 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2ncccc2F)C1 1220599510 CCZXJGIFNNOURH-NEPJUHHUSA-N 322.340 -0.702 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)c2cccc(OC)n2)C1 1220667804 QHCPBANBGALFNI-KGLIPLIRSA-N 319.361 -0.485 30 20 DBED C#CCC1(C(=O)N[C@@H]2CN([C@@H](C)C(N)=O)C[C@@H]2O)CCCCC1 1221129868 SCFCKEXFUJLVAW-MJBXVCDLSA-N 321.421 -0.005 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2cn(C)nn2)C[C@@H]1O 1221143960 YAYCSXASFCMZGI-RTXFEEFZSA-N 309.370 -0.933 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2nncs2)C[C@@H]1O 1221145735 JYRQGBLLDUCOEQ-AXFHLTTASA-N 312.395 -0.210 30 20 DBED C=CCNC(=O)CN1CC[C@@H]2CN(C(=O)CN(C)C(C)=O)[C@@H]2C1 1221294400 PFZYUHPONWVMOT-ZIAGYGMSSA-N 322.409 -0.700 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)[C@@H](C)OCC)CC1 1222450248 CMYLUHVEBZYVRJ-CYBMUJFWSA-N 309.410 -0.011 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1CCN(CCOCCO)CC1 1223182569 HUTKXSXRXXEESC-AWEZNQCLSA-N 312.410 -0.138 30 20 DBED N#CCNC(=O)CN1CCC(CNC(=O)CCCC(N)=O)CC1 1225664904 DOPAUQWYCSBGHV-UHFFFAOYSA-N 323.397 -0.890 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)c2cccc(O)n2)CC1 1226740531 JKCTZKPOCJHZSV-UHFFFAOYSA-N 316.361 -0.269 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)CCCNC(=O)C1=COCCO1 1233562776 SXILFWCQDCCFGJ-GFCCVEGCSA-N 309.366 -0.549 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)C[C@](C)(O)C=C 1233979083 YEIUGQUANYRYEF-CZUORRHYSA-N 307.394 -0.404 30 20 DBED COCC[C@@H](NC(=O)C(=O)Nc1ccc(C#N)cc1)C(N)=O 1255531819 RMYQACOXKSMBPJ-LLVKDONJSA-N 304.306 -0.497 30 20 DBED C=CCn1cc(CNC(=O)N2CCCS(=O)(=O)CC2)nn1 1261445371 XVROHZHAOSEFDL-UHFFFAOYSA-N 313.383 -0.206 30 20 DBED N#C[C@H]1CC[C@@H](NC(=O)C(=O)NCCCN2CCOCC2)C1 1261445400 YJTVEIHWWGEVDA-QWHCGFSZSA-N 308.382 -0.367 30 20 DBED COC[C@H]1CN(C(=O)C(=O)Nc2cnn(CC#N)c2)C[C@H](C)O1 1320625196 QXRHEOQOYSSWPH-CMPLNLGQSA-N 321.337 -0.393 30 20 DBED C=CCN(C)C(=O)C(=O)Nc1cnn(CC(=O)NC2CC2)c1 1320869880 BKYVDULGTMEDFN-UHFFFAOYSA-N 305.338 -0.255 30 20 DBED CC#CCNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 1320907784 JUMZUSJCWJQCSK-UHFFFAOYSA-N 315.333 -0.904 30 20 DBED C[C@@H](CO)N(C[C@@H](C)O)C(=O)C(=O)NCC#Cc1ccccc1 1327377619 AHVNDRRORMBPSE-UONOGXRCSA-N 318.373 -0.256 30 20 DBED CC(C)[C@@H](C(=O)O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1329579459 MOLSIJVBPCIUIO-IMTQZCPYSA-N 309.322 -0.014 30 20 DBED C[C@@]1(CN)CCN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1 1330567886 NTMGAPTZBPROON-CJNGLKHVSA-N 319.409 -0.618 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CCC[C@@H]([C@H](C)O)C2)nn1 1332058430 RDESDZRMIHWJKK-NWDGAFQWSA-N 321.381 -0.300 30 20 DBED CC(=O)N[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](CC#N)C2)C1 1333456144 NMDFCKVSUZHWOU-QWHCGFSZSA-N 306.366 -0.124 30 20 DBED C#CCCCn1nnnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1334180928 YFOCXASPGXJAAN-LLVKDONJSA-N 312.399 -0.396 30 20 DBED C=CCn1nnnc1N(CCOC)[C@@H]1CCS(=O)(=O)C1 1335327233 IIOZEEZSCWMYFB-SNVBAGLBSA-N 301.372 -0.501 30 20 DBED C#CCN(C(=O)C(=O)N1CCC(NC(=O)COC)CC1)C(C)C 1338208646 QPBCNGXQFQGDBT-UHFFFAOYSA-N 323.393 -0.390 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N1CC[C@@](F)(CO)C1 1347039076 ZUCXRFFEGNOEBL-AWEZNQCLSA-N 300.330 -0.582 30 20 DBED CN(CCOCCN)C(=O)C(=O)NCc1ccc(C#N)cc1 1348319512 HEAHYRXRQLYNBJ-UHFFFAOYSA-N 304.350 -0.392 30 20 DBED N#C[C@H]1CCCN(C(=O)C(=O)N2CCN([C@H]3CCOC3)CC2)C1 1353035710 LGZUFOGUDDKRDN-KGLIPLIRSA-N 320.393 -0.318 30 20 DBED C=CCn1c([C@@H](O)COC)nnc1N1CCN2CCOC[C@@H]2C1 1356192295 HJFZZMIYSLPLTN-STQMWFEESA-N 323.397 -0.335 30 20 DBED CC1=NO[C@H](CNC(=O)CCn2cc(C#N)c(O)nc2=O)C1 1363015555 GZOZKGIVMRMMFP-JTQLQIEISA-N 305.294 -0.508 30 20 DBED CC(=O)N1CCN(C(=O)CSc2nnc(CC#N)n2C)CC1 1363187321 LMHPHWPBULZZLK-UHFFFAOYSA-N 322.394 -0.336 30 20 DBED CC(C)(C#N)CS(=O)(=O)NCc1nnc2c(=O)[nH]ccn12 1364963382 CLMPKDPJJNHXJK-UHFFFAOYSA-N 310.339 -0.613 30 20 DBED N#Cc1ccc(C(=O)NC[C@@H](O)CNC(=O)c2ccc[nH]2)[nH]1 1376502880 WQNHDDORIMXVAH-JTQLQIEISA-N 301.306 -0.265 30 20 DBED C[C@H](CNC(=O)Cn1ncnn1)NCc1cc(C#N)ccc1F 1376720473 DAACLZLGYACHCF-SNVBAGLBSA-N 317.328 -0.022 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]1CN(C)C(=O)CS(C)(=O)=O 1384864921 CZDRJZYDTJOXSN-VHSXEESVSA-N 301.368 -0.750 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CCN(C(=O)C2(NC(N)=O)CC2)C1 1387230741 SQAVOVMDBHRHKL-UWVGGRQHSA-N 307.354 -0.688 30 20 DBED CNC(=O)c1cccc(CNC[C@H](O)CNC(=O)[C@H](C)C#N)c1 1392368674 WJFSWJZCRVWTPH-RISCZKNCSA-N 318.377 -0.227 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1cnc(C2CC2)o1 1399874789 WPXSOIVHYKPNHH-PSASIEDQSA-N 306.322 -0.081 30 20 DBED COCCN(CCNC(=O)[C@@H](C)C#N)C(=O)Cc1n[nH]c(C)n1 1405769279 LUQKPGBWGATVRQ-JTQLQIEISA-N 322.369 -0.594 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)Cn1cc(C2CC2)cn1 1410143177 SEFBYVCQHMDTRX-GWCFXTLKSA-N 319.365 -0.487 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@](C)(NC(=O)CCn2ccnn2)C1 1410973227 HFZRTMMMZIZKHU-FZMZJTMJSA-N 304.354 -0.065 30 20 DBED CCCS(=O)(=O)CC(=O)NC[C@H](CC)NC(=O)[C@H](C)C#N 1416232055 RXZUDMKVSCKJQO-MNOVXSKESA-N 317.411 -0.018 30 20 DBED CC(=O)NCC(=O)N(C)CCN(C)C(=O)c1cc(C#N)c[nH]1 1416632575 OVOPRENTHHFFPD-UHFFFAOYSA-N 305.338 -0.447 30 20 DBED C[C@@H](CNC(=O)CCc1cnn[nH]1)NC(=O)c1c[nH]c(C#N)c1 1428822014 ONHYMTLWRVIITF-VIFPVBQESA-N 315.337 -0.128 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)CN(C)CC(C)(C)C 1431566748 GYFYQQMPFZFROR-NWDGAFQWSA-N 312.414 -0.283 30 20 DBED C[C@H](C#N)C(=O)N1CC(NC(=O)[C@H](C)CN2CCOCC2)C1 1432258114 YWWDVHRYTHYOSU-VXGBXAGGSA-N 308.382 -0.559 30 20 DBED C[C@H](C#N)C(=O)N(C)CCN(C)C(=O)c1nc2ncccn2n1 1433191883 GGPSTAPVFUSBGB-SNVBAGLBSA-N 315.337 -0.186 30 20 DBED CC[C@@H](CNS(C)(=O)=O)NS(=O)(=O)CC(C)(C)C#N 1434572032 IZRAFBPODUMJAV-VIFPVBQESA-N 311.429 -0.217 30 20 DBED CO[C@H](C)CCNC(=O)NCCn1cc(C#N)c(O)nc1=O 1434802502 OHWZODVHENEPHH-SECBINFHSA-N 309.326 -0.455 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1C[C@@H](NCC(=O)N2CCOCC2)C1 1436338645 HYADNAFQRHASME-UPJWGTAASA-N 308.382 -0.511 30 20 DBED CNS(=O)(=O)CC(=O)N[C@H](C)CNCc1ccc(C#N)cc1 1439181339 BEDRLLLTFIZXTP-LLVKDONJSA-N 324.406 -0.298 30 20 DBED C[C@H](CNC(=O)Cn1ncnn1)NCc1ccc(F)c(C#N)c1 1441815677 CIDURGOYANGROZ-SNVBAGLBSA-N 317.328 -0.022 30 20 DBED C[C@H](NC(=O)C1(NC(N)=O)CC1)C1CN(C(=O)[C@H](C)C#N)C1 1443216191 WUIMFKUYFYHSHR-BDAKNGLRSA-N 307.354 -0.690 30 20 DBED COc1cc(C(=O)N(C)C[C@H](O)CNC(=O)[C@@H](C)C#N)on1 1444643025 KRVQDIOQZXVNFA-DTWKUNHWSA-N 310.310 -0.608 30 20 DBED Cc1ncc(C(=O)NC[C@H](O)CNC(=O)[C@H](C)C#N)c(C)n1 1458028551 OUIWRVCCKBLSQT-LDYMZIIASA-N 305.338 -0.540 30 20 DBED C[C@H](C#N)C(=O)N1CCC(NC(=O)CNC(=O)C2CC2)CC1 1492124784 FUOPUPAJFVMCNG-SNVBAGLBSA-N 306.366 -0.221 30 20 DBED COCC(=O)NCCC(=O)N1CC[C@@H](CNC(=O)[C@H](C)C#N)C1 1495214751 GKMMTWQVELCQKT-NEPJUHHUSA-N 324.381 -0.737 30 20 DBED CC[C@@H](C(=O)NC1CN(C(=O)[C@H](C)C#N)C1)N1CCCC1=O 1498195456 LPJFREKPUHSWDS-PWSUYJOCSA-N 306.366 -0.126 30 20 DBED CCN(CCNC(=O)CN(C)C(C)=O)C(=O)c1c[nH]c(C#N)c1 1528758839 YFPXSBFFHMPHEJ-UHFFFAOYSA-N 319.365 -0.057 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1cn(C(C)(C)C)nn1 1533287155 KJUVLFJSAAJINM-ZJUUUORDSA-N 322.369 -0.600 30 20 DBED CC[C@H](C)C[C@H](NC(=O)Cn1cc(C#N)c(O)nc1=O)C(=O)O 1571154364 WXHFBOYFYPVLJV-WPRPVWTQSA-N 322.321 -0.174 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H]1C[C@H](N=c2cc[nH]c(C(=O)O)n2)C1 1573311222 KCZLYRLRYZQWPS-GMTAPVOTSA-N 318.333 -0.306 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](Nc2ccc(-c3nn[nH]n3)nn2)C1 1573564172 HHEJALBDOCJTBC-RKDXNWHRSA-N 313.325 -0.171 30 20 DBED N#C[C@@H]1CNCC12CC(C(=O)N1CCS(=O)(=O)CCO1)C2 1580042817 BWBCTMDUFIYPKC-QWKFWESOSA-N 313.379 -0.686 30 20 DBED N#CCCN(CCN1CCOCC1)C(=O)C[C@@]1(O)CCCNC1 1580052251 ZFBOGACACZBFAJ-INIZCTEOSA-N 324.425 -0.435 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N[C@H]2C[C@H](C(=O)O)C2)nn1 1588908960 BWSYMMDKOSAWHA-KYZUINATSA-N 307.310 -0.940 30 20 DBED N#CCN(CC(=O)O)C(=O)c1cc(N2CCNC(=O)C2)ccn1 1601069653 OUMRRRCAQVYSFR-UHFFFAOYSA-N 317.305 -0.932 30 20 DBED N#C[C@@H]1COCCN1S(=O)(=O)c1cncc(-c2nn[nH]n2)c1 1609494626 JIJRHVDFVDACQE-SECBINFHSA-N 321.322 -0.825 30 20 DBED N#C[C@]1(F)CCN(S(=O)(=O)N2CCC(C(=O)O)CC2)C1 1610620169 YKPWBKHZXQXQBI-LLVKDONJSA-N 305.331 -0.035 30 20 DBED COCCn1c(C[C@H](O)CC#N)nnc1N1CC(C)(OC)C1 1646814794 IXLSWBGMNBASJW-LLVKDONJSA-N 309.370 -0.033 30 20 DBED C#CCNC(=O)CN(C)CCNC(=O)CNC(=O)CC(C)(C)C 1753075618 DEKHQEYMMZCHER-UHFFFAOYSA-N 324.425 -0.664 30 20 DBED CN1CC[C@@H](C(=O)NC[C@@H]2CCN(CC(=O)NCC#N)C2)C1 1753139516 CQANYVRAGHOOQG-QWHCGFSZSA-N 307.398 -0.984 30 20 DBED C=C(C)CN1[C@H]2CC[C@H]1CN(C(=O)CNS(=O)(=O)NC)C2 1753308162 PJRVPTUJMMJIQD-RYUDHWBXSA-N 316.427 -0.709 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC(NC(=O)[C@H]2CCN(C)[C@@H]2CC)C1 1753376799 BXPHMENFNDXEEM-VHDGCEQUSA-N 320.437 -0.345 30 20 DBED COCC#CCN1CC(NC(=O)c2ccnc3c2nnn3C)C1 1753384999 FVFGBIPHEHFJKR-UHFFFAOYSA-N 314.349 -0.573 30 20 DBED CN1CC[C@H](CC(=O)NCC2CN(CC(=O)NCC#N)C2)C1 1753413853 RJGKQXLVIWLPCA-GFCCVEGCSA-N 307.398 -0.984 30 20 DBED C=C[C@@](C)(O)CC(=O)N(C)[C@H]1CCN(Cc2nnn(C)n2)C1 1753435511 SUJXTBNPVDCIBK-SMDDNHRTSA-N 308.386 -0.430 30 20 DBED COc1cc(C(=O)NC/C=C\CNCC(=O)NCC#N)ncn1 1754121626 MDFGOSLNMDECPZ-IHWYPQMZSA-N 318.337 -0.999 30 20 DBED CC#CCCCC(=O)N[C@@H](C)CNCC(=O)N1CCNC(=O)C1 1754279370 IKSPMGZQPJHGSS-ZDUSSCGKSA-N 322.409 -0.767 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCC1(N[C@@H](CC)C(N)=O)CC1 1754515984 JPJKGNCHKFSZKP-STQMWFEESA-N 306.410 -0.414 30 20 DBED C#CCNC(=O)CN1CC[C@@](C)(NC(=O)Cn2cncc2C)C1 1754676862 UMWMNIHTIOMEFD-MRXNPFEDSA-N 317.393 -0.478 30 20 DBED C#CCNC(=O)CN1CC[C@](O)(CNC(=O)CC(F)(F)F)C1 1754745766 HRAPRNSLGVXQIA-LBPRGKRZSA-N 321.299 -0.759 30 20 DBED CNC(=O)NCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(CC#CCOC)C2 1754785543 NVKLACZINQRRMM-MJBXVCDLSA-N 322.409 -0.466 30 20 DBED C#CCN1CC2(CC[C@H](CNC(=O)[C@]3(C)CCC(=O)NC3)O2)C1 1755056193 XKYWTSWPVACJTL-CZUORRHYSA-N 319.405 -0.115 30 20 DBED C#CCNC(=O)CN1CC(CCO)(NC(=O)C2(CC)CC2)C1 1755336588 ZUZHWHMGFLCZFC-UHFFFAOYSA-N 307.394 -0.521 30 20 DBED CC#CCNC[C@@H](CCCC)NC(=O)Cn1c(O)nnc1O 1755361478 UKRDGQYIQSVQFG-LLVKDONJSA-N 309.370 -0.023 30 20 DBED C[C@@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)CCc1cn[nH]c1 1755660993 GUABKJJVWYKSKA-YPMHNXCESA-N 318.381 -0.439 30 20 DBED CN(C[C@@H](O)CNCc1cc(F)ccc1C#N)C(=O)CC(N)=O 1755774710 IZMUXCYWFTVHSU-ZDUSSCGKSA-N 322.340 -0.518 30 20 DBED C=CCCC(=O)N(C)C[C@H](C)NC(=O)Cn1nc(C)n(C)c1=O 1756436535 SADYLFZQOLRUGR-NSHDSACASA-N 323.397 -0.180 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CC[C@H](C)N(C(=O)Cn2ncnn2)C1 1756794589 YPRDLWQNXQWZQT-QWHCGFSZSA-N 318.381 -0.172 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(C(=O)c2ccnn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c1cnn(C)c1 56411655 CNPATMIWZKMOFS-SNVBAGLBSA-N 313.383 -0.293 30 20 DBED CN(CC(=O)N[C@](C)(C#N)C1CC1)CC(=O)N1CCOCC1 78395073 VCXYKOGSWJZWDU-OAHLLOKOSA-N 308.382 -0.415 30 20 DBED N#Cc1ccc(S(=O)(=O)N2CCN3C(=O)NC[C@@H]3C2)cc1 91756228 GPLGHUNOHQOVDK-LLVKDONJSA-N 306.347 -0.044 30 20 DBED CN1CCN(C(=O)CN(C)CCCc2n[nH]c(N)c2C#N)CC1 153280862 MZFXLCKLLSAUTI-UHFFFAOYSA-N 319.413 -0.498 30 20 DBED CCN/C(N)=N/CCC(=O)N1CCN(c2ncccn2)CC1 264306819 TVAJNACQGFCKJE-UHFFFAOYSA-N 305.386 -0.561 30 20 DBED COCC(=O)NC1CN(S(=O)(=O)c2cccnc2C#N)C1 277173629 MWJZZLLVMRYJAT-UHFFFAOYSA-N 310.335 -0.911 30 20 DBED Cc1nc(N2CCN(C(=O)Cn3cnnn3)CC2)ccc1C#N 291546254 AFQKHKFBXVLZCG-UHFFFAOYSA-N 312.337 -0.403 30 20 DBED CN1CCN(C(=O)CC/N=C(/O)N(C)Cc2cnccn2)CC1 329562061 NBGMEYMLWTXNOU-UHFFFAOYSA-N 320.397 -0.014 30 20 DBED C[C@@H](CNS(=O)(=O)N(C)[C@H](C)CC#N)N1CCOCC1 330405051 DUBZPEFCYDFBDE-NEPJUHHUSA-N 304.416 -0.225 30 20 DBED C[C@H](CCO)C/N=C(/O)N[C@@H]1CCCN(S(C)(=O)=O)C1 330933089 BPNWCQDZERXBAG-GHMZBOCLSA-N 307.416 -0.068 30 20 DBED C=CCN1CC[C@H](N2CCC[C@@H]2CS(=O)(=O)NC)C1=O 332411005 NWMYWXRYWKMGCP-NEPJUHHUSA-N 301.412 -0.213 30 20 DBED CCOC(=O)[C@](C)(O)CNS(=O)(=O)N(C)C[C@H](C)C#N 336953595 WTZAYWIALHLMTF-MWLCHTKSSA-N 307.372 -0.774 30 20 DBED CCN(CCC#N)S(=O)(=O)NC[C@H](CO)[C@H]1CCOC1 337145171 DPWVXUGMOQLVBM-NWDGAFQWSA-N 305.400 -0.299 30 20 DBED COC(=O)[C@H]1CN(C(=O)CNc2ccc(C#N)cn2)C[C@H](C)O1 338370070 DOYLEAGVULLRBS-CMPLNLGQSA-N 318.333 0.154 30 20 DBED CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)c1cccc(C#N)n1 339215457 BECIQTMPLOAWQN-NSHDSACASA-N 308.363 -0.307 30 20 DBED NS(=O)(=O)c1cnn(CC(=O)NCC#Cc2ccccc2)c1 344514762 BBXNCBAMLXZVJV-UHFFFAOYSA-N 318.358 -0.302 30 20 DBED C=CCNc1nnc(S(=O)(=O)CCN2CCNC2=O)s1 345187882 IRLNQTHYMWZZDU-UHFFFAOYSA-N 317.396 -0.065 30 20 DBED CN1CC[C@@H](NC(=O)C(=O)Nc2ccc(C#N)cc2F)C1=O 352494169 YWFGVHIZCKLLDJ-LLVKDONJSA-N 304.281 -0.017 30 20 DBED N#Cc1ncn(CCNC(=O)CNC(=O)c2cccs2)n1 356295377 OWKGBHADSIOUPD-UHFFFAOYSA-N 304.335 -0.243 30 20 DBED CN1CC[C@@](O)(CNC(=O)CNC(=O)c2ccc(C#N)cc2)C1 358426106 SPBWLAFDBYIBLB-MRXNPFEDSA-N 316.361 -0.529 30 20 DBED CCNS(=O)(=O)[C@H]1CCN(S(=O)(=O)CCCC#N)C1 371399923 BLYYNALPUVQZAE-JTQLQIEISA-N 309.413 -0.366 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCC[C@]2(C)CO)C1=O 427010304 XVCJRKBQMFMVNL-ZUZCIYMTSA-N 323.349 -0.370 30 20 DBED COC[C@@](C)(C#N)NC(=O)c1cnc2c(c1)c(O)nc(=O)n2C 433976915 PSCLBEYRLBVFGS-CQSZACIVSA-N 317.305 -0.307 30 20 DBED CC(C)[C@@H](C#N)NC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 470355065 BKUBZTUVRWVWFJ-JKKYPKHBSA-N 305.334 -0.187 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)c2cc(C)n(C)n2)CC1 490648647 ASAZBBMHFPVJKN-UHFFFAOYSA-N 317.393 -0.374 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@@]2(C)CCOC2)CC1 490932800 AMDWUKLCFDMEJH-INIZCTEOSA-N 307.394 -0.303 30 20 DBED CS(=O)(=O)N1CCC[C@H](C(=O)N2CCO[C@@H](C#N)C2)C1 528451144 MLIJHULOGBVFSH-QWRGUYRKSA-N 301.368 -0.591 30 20 DBED COCCNC(=O)CN1CCN(C(=O)C2(C#N)CC(C)C2)CC1 531815811 FEXZGJTVUNJYMK-UHFFFAOYSA-N 322.409 -0.167 30 20 DBED CC[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1cccc(C#N)n1 569240012 GPVPRCBVWCYORW-SNVBAGLBSA-N 301.306 -0.371 30 20 DBED C=CC[C@H](CO)CNC(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 579014737 FCRKOYPZXSGHOO-WDEREUQCSA-N 305.400 -0.496 30 20 DBED N#CCNC(=O)CNC[C@H](O)COc1ccc(CC#N)cc1 591767675 WJIDZKMAWBCORE-ZDUSSCGKSA-N 302.334 -0.278 30 20 DBED CN(C)C[C@](C)(C#N)NC(=O)Cn1nc2n(c1=O)CCCC2 593153166 CEAMNUGQYJCFBT-AWEZNQCLSA-N 306.370 -0.659 30 20 DBED CN1CC[C@H](n2cc(CN(C)c3cnc(C#N)cn3)nn2)C1=O 594652643 VAZJWOCMNRZNIU-LBPRGKRZSA-N 312.337 -0.021 30 20 DBED CN(CCC#N)S(=O)(=O)N1C[C@@H]2COC[C@]2(C(=O)O)C1 594684929 PUULQRVGTPTPQH-MWLCHTKSSA-N 303.340 -0.890 30 20 DBED C[C@H]1CN(C(=O)C(=O)Nc2ccn(CCC#N)n2)C[C@]1(C)CO 595210771 HQIHMUUESOKBFJ-XHDPSFHLSA-N 319.365 0.212 30 20 DBED CCc1nc(C#N)cc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1 596151576 DHZFIJUEWLSWOB-SNVBAGLBSA-N 300.322 -0.942 30 20 DBED CNS(=O)(=O)[C@H]1CCN(C(=O)Nc2nn(C)cc2C#N)C1 611007126 KUFVGHORZUEHCQ-VIFPVBQESA-N 312.355 -0.553 30 20 DBED COC(=O)[C@@H]1C[C@H](F)CN1S(=O)(=O)N(C)C[C@@H](C)C#N 619714514 DDRDWMAIXSKIPR-GUBZILKMSA-N 307.347 -0.092 30 20 DBED C=C(CNC(=O)[C@H]1CCCN1C)CNC(=O)[C@H]1CCCN1C 620747497 AXPDIZMKLYTVNV-ZIAGYGMSSA-N 308.426 -0.037 30 20 DBED C=C(CC)CNC(=O)NCCN1CCN(S(C)(=O)=O)CC1 652282802 MEFBPDHIYOBPAG-UHFFFAOYSA-N 318.443 -0.171 30 20 DBED CN(C)CCS(=O)(=O)c1ccccc1C(=O)NCC#CCO 655057387 UTDSRNWVIHWTHD-UHFFFAOYSA-N 324.402 -0.253 30 20 DBED N#CCN(CC(=O)O)C(=O)Cn1nnc2ccccc2c1=O 739078363 FUEOTRFITLLAGQ-UHFFFAOYSA-N 301.262 -0.772 30 20 DBED C=C(C)CN(CC)C(=O)COC(=O)c1cn(CC(N)=O)nn1 745471168 WCPVGIWTMNZDCV-UHFFFAOYSA-N 309.326 -0.655 30 20 DBED Cn1cnc2c1c(=O)n(CC(=O)OC1(C#N)CCC1)c(=O)n2C 762093311 AGICVJMIMDTPPK-UHFFFAOYSA-N 317.305 -0.577 30 20 DBED COc1cc(C=NNC2=NC(=O)C(=O)N2)c([N+](=O)[O-])cc1O 765591459 MZINLVLCALOIHU-UHFFFAOYSA-N 307.222 -0.755 30 20 DBED CC(C)S(=O)(=O)CCNS(=O)(=O)N(C)C[C@H](C)C#N 808348666 SUSZCCJVSUFIDM-SNVBAGLBSA-N 311.429 -0.265 30 20 DBED C#C[C@H](NC(=O)C(=O)N(C)Cc1nccn1C)[C@H]1CCCO1 809304652 NTNDMJOBBHYLSB-NWDGAFQWSA-N 304.350 -0.325 30 20 DBED CC#CCS(=O)(=O)NC(=O)COc1ccc(C(N)=O)cc1 810772833 GYKKSAOXSLMAMR-UHFFFAOYSA-N 310.331 -0.366 30 20 DBED C#C[C@H](NC(=O)C(=O)NCCC(C)(C)C(=O)O)[C@H]1CCCO1 818658165 RTQBTPOKBKRJCG-WDEREUQCSA-N 310.350 -0.100 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC2(C(=O)O)CCC2)C1=O 833375653 CNPDIBCDUGLNRU-UHFFFAOYSA-N 309.278 -0.913 30 20 DBED N#C[C@H]1CNC[C@@H]1NC(=O)Cn1nnnc1-c1ccsc1 843460043 LDEZMNNLZQNYJQ-UWVGGRQHSA-N 303.351 -0.371 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N1CCO[C@@H](COC)C1 875595314 AFEGGLMSXBCJON-CHWSQXEVSA-N 312.366 -0.595 30 20 DBED C#CC[C@@H]1NC(=O)N(CCS(=O)(=O)NC(C)(C)C)C1=O 927364213 NPKMTQQTTQPRRU-VIFPVBQESA-N 301.368 -0.352 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)Cc3nc[nH]n3)C2)nc1 936165412 HXLQVEQNBXPJIT-GFCCVEGCSA-N 324.344 -0.246 30 20 DBED CC(=O)N1CC[C@@H](C(=O)N[C@H]2CCN(C(=O)C#CC3CC3)C2)C1 938436152 VTPLEXFIHFIUGH-CABCVRRESA-N 317.389 -0.015 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CCN(C(=O)[C@@H]3CCC(=O)N3)C2)c1 939930605 USEFPPVPVOMIEG-MNOVXSKESA-N 315.333 -0.504 30 20 DBED CN1C(=O)CC[C@H]1C(=O)N[C@@H]1CCN(C(=O)C#CC2CC2)C1 942165732 SPKBKJJRCFKKJF-OLZOCXBDSA-N 303.362 -0.262 30 20 DBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CCN(C(=O)C(N)=O)CC1 948080525 SIGUQYTZTKMJOA-STQMWFEESA-N 323.393 -0.050 30 20 DBED COc1ccc(C(=O)NC[C@H]2CCN2C(=O)[C@H](C)C#N)nn1 952099447 PKWDDOBJZICRJO-NXEZZACHSA-N 303.322 -0.024 30 20 DBED C#CCN1CC(N(CC)C(=O)[C@H]2CCc3nnnn3CC2)C1 952297597 WDYVDEBOWUWGBH-LBPRGKRZSA-N 302.382 -0.209 30 20 DBED CN(C(=O)c1c[nH]c(C#N)c1)C1CN(C(=O)[C@@H]2COC(=O)N2)C1 954106898 NLQLHWYDISGDCU-NSHDSACASA-N 317.305 -0.722 30 20 DBED C=CC(C)(C)C(=O)N1CC(N(C)C(=O)C2CC(=O)NC(=O)C2)C1 954777559 LOVLWWIVSPSRNE-UHFFFAOYSA-N 321.377 -0.079 30 20 DBED N#Cc1ccc(C(=O)NC2CC(CN[C@@H]3CCNC3=O)C2)[nH]1 961730280 BFDBECHQTQIWFA-QEWOUOOISA-N 301.350 -0.127 30 20 DBED C=CCNC1CC2(C1)CC(NC(=O)Cn1cnc(C(N)=O)n1)C2 963823294 BNIKRYCUBUPFBJ-UHFFFAOYSA-N 318.381 -0.420 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[C@H](NC(=O)C(N)=O)CC1 963994953 ICQFONSIZUNMCZ-LPWJVIDDSA-N 323.393 -0.146 30 20 DBED CC#CCN1CC([C@@H](C)NC(=O)[C@@H]2COCCN2C(C)=O)C1 970900787 FXXNLBQGKXMJCY-DOMZBBRYSA-N 307.394 -0.307 30 20 DBED C#CCN(C)[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 971526007 SLZGYOINRNAVIX-QWHCGFSZSA-N 315.377 -0.072 30 20 DBED C=CCN(C)[C@H]1CCN(C(=O)CN2CCCS2(=O)=O)C1 971642849 VLVWORBLKVYCMM-LBPRGKRZSA-N 301.412 -0.259 30 20 DBED CC#CCN1C[C@H]2CC[C@H]1CN2C(=O)CN1C(=O)CNC1=O 972089793 XHSLBXVEAWIOLA-NWDGAFQWSA-N 304.350 -0.763 30 20 DBED N#CCN1CCO[C@@]2(CCN(C(=O)c3cnnc(O)c3)C2)C1 972419296 CPYZBDBBZBFVIF-AWEZNQCLSA-N 303.322 -0.377 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)[C@@H]3CCC(=O)NC3)C2)C1 972442880 BAJQSWAEWKHPCK-CJNGLKHVSA-N 305.378 -0.551 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2nnn(C)n2)C1 973510305 QNBRGASQRALTHU-DBIOUOCHSA-N 320.353 -0.822 30 20 DBED C#CCCN1C[C@H]2[C@H](CNC(=O)c3ccc(=O)n(C)n3)[C@H]2C1 979067502 ZPYXZTYZUKPKFD-XYYAHUGASA-N 300.362 -0.289 30 20 DBED C[C@@H]1[C@@H](NC(=O)c2c[nH]c(=O)cn2)CCN1C(=O)C#CC1CC1 989544236 VLBMERWTADVVQJ-PWSUYJOCSA-N 314.345 -0.098 30 20 DBED N#Cc1c[nH]c(C(=O)NC2CN(C(=O)CO[C@H]3CCOC3)C2)c1 990698910 KPSKPAPTBCEUPW-LBPRGKRZSA-N 318.333 -0.368 30 20 DBED CC(=O)N1C[C@H](n2ccnn2)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 990851253 BOBJIWUKPYGJPZ-OLZOCXBDSA-N 313.321 -0.320 30 20 DBED CN1CC[C@@H](C(=O)NC2CN(C(=O)c3ccc(C#N)[nH]3)C2)C1 991707698 CLMFVHQOJPEPFN-SNVBAGLBSA-N 301.350 -0.221 30 20 DBED N#Cc1ccc(C(=O)NC2CC(CNC(=O)c3nc[nH]n3)C2)[nH]1 992301808 NZRDIBQDZVKZMT-UHFFFAOYSA-N 313.321 -0.057 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1CNC(=O)[C@H]1C[C@H]1C(N)=O 994632795 FJGKABPTDCYBKM-ZRJCITRHSA-N 317.389 -0.268 30 20 DBED N#CCN1CCC(C2(NC(=O)[C@@H]3CC(=O)NC(=O)N3)CC2)CC1 1000279959 NMQSXCAUVJULPX-NSHDSACASA-N 319.365 -0.531 30 20 DBED CO[C@@H](C)C(=O)N1CCC(=O)NCCN(C(=O)[C@@H](C)C#N)CC1 1001730415 PWMKPOGTLGLNLA-RYUDHWBXSA-N 324.381 -0.642 30 20 DBED N#Cc1cc(C(=O)N2CC(CNC(=O)c3cnon3)C2)c[nH]1 1003806997 BQLSTLLBSCIBHG-UHFFFAOYSA-N 300.278 -0.229 30 20 DBED C[C@H](NC(=O)[C@@H]1COC(=O)N1)C1CN(C(=O)C#CC2CC2)C1 1006018930 IOJRCVJQIWKOBF-CABZTGNLSA-N 305.334 -0.529 30 20 DBED C#CCCN1CCC[C@@H](NC(=O)CN2CCN(C)C(=O)C2)C1 1007684775 CDWCVKGOSVRCJZ-CQSZACIVSA-N 306.410 -0.636 30 20 DBED Cn1nncc1C(=O)N1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 1011026303 SLKDHLNXVFCMBP-UHFFFAOYSA-N 313.321 -0.387 30 20 DBED COCCn1ccc(C(=O)N2CCN(C(=O)[C@H](C)C#N)CC2)n1 1011756276 JMZPWXKIJZQOPX-GFCCVEGCSA-N 319.365 -0.026 30 20 DBED C=C[C@](C)(CC)C(=O)N1C[C@H]2C(NC(=O)Cn3cnnn3)[C@@H]2C1 1012754188 JDOZDYHXVVCZBV-UEKVPHQBSA-N 318.381 -0.152 30 20 DBED C[C@H](C#N)C(=O)N1CCC2(CN(C(=O)c3c[nH]c(=O)cn3)C2)C1 1019343439 KURSVNVSSBSDSU-SNVBAGLBSA-N 315.333 -0.396 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)c2ccc(=O)n(C)n2)[C@@H]1C 1020538557 LWJDYFUUOHWXGW-DCAQKATOSA-N 317.349 -0.341 30 20 DBED C=CCN1CC[C@@H](N[C@H]2C[C@@H](NC(=O)c3cnn(C)n3)C2)C1=O 1022850823 VDFLGLUEKSLWMB-GRYCIOLGSA-N 318.381 -0.548 30 20 DBED C=C(Cl)CN[C@H]1C[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)C1 1023037713 OGHXNLYXHRYTFL-PHIMTYICSA-N 313.789 -0.120 30 20 DBED CN1CC(=O)N(CC(=O)NC2CCC(NCC#N)CC2)C1=O 1026603146 XYGYZPGKKAFIAN-UHFFFAOYSA-N 307.354 -0.579 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCC1CN([C@@H](CC)C(N)=O)C1 1031742738 OQBVYEFDNYTLPJ-KBPBESRZSA-N 306.410 -0.604 30 20 DBED N#CCN1CCO[C@@H](CNC(=O)c2ccc3c(n2)OCCO3)C1 1035430877 BDHRMWKMBVKYEG-NSHDSACASA-N 318.333 -0.193 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)c2cnc3c(c2)nnn3C)C1 1035446507 LMGDNUMJAFGMQV-LBPRGKRZSA-N 314.349 -0.573 30 20 DBED C=C(Cl)CN1CCO[C@@H](CNC(=O)[C@@H]2CCNC2=O)C1 1035472526 DKQXXHBKMVGYPB-WDEREUQCSA-N 301.774 -0.308 30 20 DBED C=CCOCC(=O)N1CC[C@](O)(CNC(=O)[C@H]2CCCO2)C1 1040103613 AXRHNUDQCWYGJO-DOMZBBRYSA-N 312.366 -0.552 30 20 DBED Cc1cc(C(=O)N[C@@H]2CN(c3ccnc(C#N)n3)C[C@H]2O)on1 1040932683 SUTSPEDSAOGMNP-NXEZZACHSA-N 314.305 -0.376 30 20 DBED N#Cc1cncc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[C@@H]3C(F)F)C2)n1 1041008089 NUEDWVWWCSSFGC-UKKRHICBSA-N 323.303 -0.085 30 20 DBED Cc1cc(C#N)nc(N2C[C@@H](O)[C@H](NC(=O)c3cnco3)C2)n1 1041267402 NYKYPAPGVOIZLE-GHMZBOCLSA-N 314.305 -0.376 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)c2cncc(C)c2)C1 1042289906 SERFPVKNFKHELF-UHFFFAOYSA-N 319.361 -0.104 30 20 DBED N#CCSCC(=O)N1CC(O)(CNC(=O)c2cncnc2)C1 1042707298 OLBVTKHEDVIQSW-UHFFFAOYSA-N 321.362 -0.964 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)CC2CCC2)C1 1043040325 QTQLLFZCQOCKRX-LBPRGKRZSA-N 308.378 -0.096 30 20 DBED N#Cc1cnc(N2C[C@H](O)[C@H](NC(=O)c3cncnc3)C2)cn1 1043918222 OODMHJDIWMNIMD-NEPJUHHUSA-N 311.305 -0.882 30 20 DBED C#CCN[C@H]1CCN(C(=O)CCn2ncn(C)c2=O)[C@H](C)C1 1044691213 KUEDQJQXIOGYOR-OLZOCXBDSA-N 305.382 -0.426 30 20 DBED C=C[C@H](C)[C@H](C)C(=O)NCC1(O)CN(C(=O)CC(=O)NC)C1 1044981453 WTPHDLSUXNHSHV-QWRGUYRKSA-N 311.382 -0.730 30 20 DBED COCCC1(C(=O)N2CC(O)(CNC(=O)[C@H](C)C#N)C2)CC1 1045552640 UPTMSUBVPJGLQB-LLVKDONJSA-N 309.366 -0.348 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)COc2ccccc2)C1 1045552967 YOJLGEHAZPKLBO-LBPRGKRZSA-N 317.345 -0.085 30 20 DBED C[C@@H]1CC[C@H](C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)C#CC3CC3)C2)O1 1048824773 KBXVSSYXVRCSKC-UQOMUDLDSA-N 320.389 -0.003 30 20 DBED C=C(C)CCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CNC(=O)N2)C1 1049349564 VBTIOSFSKZTYJZ-WOPDTQHZSA-N 324.381 -0.946 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)Cc2cnoc2)C[C@@H]1O 1049407609 IZXXXYVKOKKUFU-DLOVCJGASA-N 306.322 -0.593 30 20 DBED C=CCCN1CCOC[C@@H]1CNC(=O)[C@@H]1CCCS1(=O)=O 1051254355 HCHRCBCDJQZKKJ-STQMWFEESA-N 316.423 -0.043 30 20 DBED C=C(C)CN1CCOC[C@H]1CNC(=O)[C@@H]1CCCN1C(N)=O 1051269371 UDAKVSKCENHZQF-OLZOCXBDSA-N 310.398 -0.077 30 20 DBED Cn1ncc(C(=O)N2CC[C@H](N3CCN(CC#N)CC3)C2)n1 1052098621 LPJGGLHFZWXCHE-LBPRGKRZSA-N 303.370 -0.829 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](C)[C@@H](CNC(=O)C(C)C)C1 1052391303 LCHQKOKFJUJOLI-OLZOCXBDSA-N 307.394 -0.007 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1C 1052660383 GVMYBXAFKHUPPG-CHWSQXEVSA-N 318.381 -0.313 30 20 DBED C[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1CNC(=O)c1nc[nH]n1 1052984488 AYFIRCOAPYPYNG-NXEZZACHSA-N 312.337 -0.031 30 20 DBED C=CCN1CC2(C1)CN(C(=O)CN1CCC(=O)NC1=O)CCO2 1053499799 GHOFXQCTFWHRNY-UHFFFAOYSA-N 322.365 -0.973 30 20 DBED C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1CCN=c1cc[nH]c(C#N)n1 1053500882 VHJJEKRIXGTCKX-NXEZZACHSA-N 302.338 -0.848 30 20 DBED CC#CCN1CC2(CC[C@@H](CNC(=O)[C@H]3COCCN3C)O2)C1 1053592604 OMSFQMDGYICQKZ-LSDHHAIUSA-N 321.421 -0.310 30 20 DBED CC#CCN1CC2(CC[C@@H](CNC(=O)[C@H]3CC(=O)N(C)C3)O2)C1 1053607421 UOFQDOSEYOWSNP-KBPBESRZSA-N 319.405 -0.162 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)CN3CCCCC3=O)CO2)C1 1053856131 CCHZRETXYDMAME-AWEZNQCLSA-N 319.405 -0.018 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)[C@H]3CCCN(C(C)=O)C3)CO2)C1 1053864441 AFIADYDBAGJKKN-GJZGRUSLSA-N 319.405 -0.162 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NCCN1C(=O)CNC1=O 1054647444 BXBZJVBPVZVXIU-DGCLKSJQSA-N 318.377 -0.612 30 20 DBED Cc1cc(C#N)nc(N2C[C@@H]3C(NC(=O)c4cn(C)nn4)[C@H]3C2)n1 1056198787 PKWOGQCBKWTHAN-QWRGUYRKSA-N 324.348 -0.350 30 20 DBED C=CCOCC(=O)N1CCC[C@H]2[C@H]1CCN2C(=O)CNC(C)=O 1056315189 YCXDDTWPWYOPLD-UONOGXRCSA-N 323.393 -0.083 30 20 DBED CN(c1ccnc(C#N)n1)[C@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1 1056873426 OOXDJUWQJYJAII-WDEREUQCSA-N 314.349 -0.336 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)c1cnn(C)c1N 1057404724 SZYPLNYWKVOFFY-UHFFFAOYSA-N 321.381 -0.788 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)[C@@H](C1CC1)N(C)C 1057524977 ZAMRGPRYUPLSKJ-MRXNPFEDSA-N 323.437 -0.077 30 20 DBED CC(C)N(C)CC(=O)NCCN(CCO)C(=O)C#CC1CC1 1057538190 WQABOLAQTDPRAH-UHFFFAOYSA-N 309.410 -0.323 30 20 DBED CN1C[C@H](C(=O)N[C@H]2CCN(c3nccnc3C#N)C2)CC1=O 1058578605 XEYRYNOEHVWTGG-MNOVXSKESA-N 314.349 -0.479 30 20 DBED N#Cc1cnc(N[C@H]2C[C@@H](NC(=O)[C@H]3CCC(=O)NC3)C2)cn1 1059878611 ANQATJWYUJDPBQ-GARJFASQSA-N 314.349 -0.066 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@H]1CC[C@H](CNC(=O)C(N)=O)CC1 1060751533 QJWOJNNAEWRYER-SRVKXCTJSA-N 311.382 -0.146 30 20 DBED Cn1cc(C(=O)N2CC[C@H](CN=c3cc[nH]c(C#N)n3)C2)nn1 1060870011 DOBKVLANJGVBHP-SNVBAGLBSA-N 312.337 -0.527 30 20 DBED N#Cc1nccnc1NC[C@@H]1CCN(C(=O)Cc2nc[nH]n2)C1 1060918225 JNVHHYWNBZZNNX-JTQLQIEISA-N 312.337 -0.031 30 20 DBED C=CCCC(=O)NC[C@H]1COCCN1C(=O)CCn1ccnn1 1061409146 ZWHBKZIHQZLMNN-ZDUSSCGKSA-N 321.381 -0.022 30 20 DBED CCNC(=O)CC(=O)N1CCOC[C@H]1CNC(=O)C#CC(C)C 1061566507 OQBXCSONWNDOPH-CYBMUJFWSA-N 323.393 -0.484 30 20 DBED N#Cc1ccc(N2CC[C@H](CNC(=O)[C@H]3CNC(=O)N3)C2)nc1 1061718201 SHSMSVDQGVMPAJ-VXGBXAGGSA-N 314.349 -0.423 30 20 DBED C=CCCCC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1CCC(=O)N1 1061738475 PTKVMXDRBIMCER-STQMWFEESA-N 323.393 -0.035 30 20 DBED N#Cc1ccc(N2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2COCCO2)nn1 1062449070 BVLHVNVCUMTDNE-RWMBFGLXSA-N 315.333 -0.447 30 20 DBED N#Cc1cccnc1N1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CNC(=O)N1 1062568723 GSESGYBMOXNNDP-SDDRHHMPSA-N 312.333 -0.576 30 20 DBED C=CCOCC(=O)NC1(CNC(=O)c2cnn(C)n2)CCC1 1063642203 YKENCKOIOFMKNP-UHFFFAOYSA-N 307.354 -0.214 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CN(C(=O)c2ccnn2C)CCO1 1064943717 MFPQWCBULYGWJQ-MNOVXSKESA-N 305.338 -0.463 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)Cc2cnc[nH]2)CCO1 1065672322 PSFCOZSGDQNRBE-AWEZNQCLSA-N 318.377 -0.045 30 20 DBED C=CCCO[C@@H](C)C(=O)N1CCC[C@H](NC(=O)C(N)=O)CC1 1066469459 BMRQTCFMNIKHDR-RYUDHWBXSA-N 311.382 -0.050 30 20 DBED N#Cc1nccnc1N1C[C@@H](O)[C@H](CNC(=O)c2cocn2)C1 1067652759 FRNFKKQQGIEYDK-BXKDBHETSA-N 314.305 -0.437 30 20 DBED C[C@H]1[C@H](N=c2cc[nH]c(C#N)n2)CCN1C(=O)CS(C)(=O)=O 1068773877 HUBXYZIEKNVCRI-VHSXEESVSA-N 323.378 -0.784 30 20 DBED CCC1(NC(=O)[C@@H](C)C#N)CCN(C(=O)c2nnn(C)n2)CC1 1069540144 AQLWTCONSHHHFR-JTQLQIEISA-N 319.369 -0.129 30 20 DBED C=CCN[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)C[C@H]1c1cncn1C 1070683304 HDSKVFDDWRWMSE-IJLUTSLNSA-N 318.381 -0.829 30 20 DBED N#CCN1CCNC(=O)CCN(C(=O)[C@H]2CC2(F)F)CC1 1070962347 PEKWHOFQSDJZIM-SNVBAGLBSA-N 300.309 -0.184 30 20 DBED C[C@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@@]2(CCN(CC#N)C2)O1 1071202545 WQZFGMNWHSDAQH-NHYWBVRUSA-N 317.349 -0.401 30 20 DBED C#CCCCC(=O)N1C[C@H](C)[C@@H](NC(=O)Cn2cnnn2)C1 1071995201 ILLRHZJIYZXCTF-RYUDHWBXSA-N 304.354 -0.560 30 20 DBED C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)CC[C@@H]1NC(=O)CC(N)=O 1073840202 RGFIXWHUVUTNPN-KOLCDFICSA-N 317.349 -0.271 30 20 DBED C[C@H]1CN(C(=O)Cn2cnnn2)CC[C@H]1NC(=O)C#CC1CC1 1073945731 IULBQPORTBLMGR-WCQYABFASA-N 316.365 -0.560 30 20 DBED COc1c(C(=O)N2CC[C@H]3OCCN(CC#N)[C@@H]3C2)cnn1C 1074393187 WVVNEDBHENQOKM-CHWSQXEVSA-N 319.365 -0.132 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)CCOCC#C 1076503895 BQHTZNVWKZLFQU-ZDUSSCGKSA-N 321.377 -0.823 30 20 DBED Cn1ccc(CN2C[C@@H](O)[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)n1 1076855993 VWTVQRDWYJWCKY-ZIAGYGMSSA-N 314.349 -0.405 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2ncnc3ccsc23)C1 1077105416 UMSDONFDQSOBDQ-NXEZZACHSA-N 303.347 -0.010 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2cnn(-c3cccnc3)c2)C1 1077128932 LGEXXDWNCDWQJJ-ZIAGYGMSSA-N 312.333 -0.434 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2cc(CN3CCCC3)on2)C1 1077684231 MXNVBPXTVOQVQH-HUUCEWRRSA-N 318.377 -0.322 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(C[C@@H]3CCOC3)C[C@H]2O)nc1 1078031084 BFSWXGYUXIMQPT-NUEKZKHPSA-N 315.373 -0.126 30 20 DBED C=CCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)[C@@H]2CCC(=O)N2)C1 1079981046 HPTYJEHHXXHETA-AAEUAGOBSA-N 323.393 -0.085 30 20 DBED C=CCCOCC(=O)N1C[C@H](CNC(=O)CCOC)[C@@H](O)C1 1081131389 QUWKXJJOAXSHKF-STQMWFEESA-N 314.382 -0.449 30 20 DBED C#Cc1ccc(C(=O)N2C[C@H](CNC(=O)COC)[C@@H](O)C2)cn1 1081180231 BRVTZNQQDYQALB-JSGCOSHPSA-N 317.345 -0.742 30 20 DBED COCCC(=O)N1C[C@H](CNC(=O)c2cc(C#N)c[nH]2)[C@@H](O)C1 1081377918 ZYKRSQVJCXDRST-AAEUAGOBSA-N 320.349 -0.528 30 20 DBED COCCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)C#CC2CC2)C1 1081468088 FNDSJMNKEBMEBN-ZIAGYGMSSA-N 308.378 -0.238 30 20 DBED N#CCSCC(=O)N1C[C@H](CNC(=O)c2cc[nH]c2)[C@@H](O)C1 1081538769 FVWWOTUDGLCENS-RYUDHWBXSA-N 322.390 -0.179 30 20 DBED C=CCCOCC(=O)NC[C@H]1CN(C(=O)c2cn[nH]c2)C[C@H]1O 1081569999 WODRFUHEDOCEDA-QWHCGFSZSA-N 322.365 -0.449 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1nnn(C(C)(C)C)n1 1081707997 ZYPSHRAAXPCULG-NXEZZACHSA-N 307.358 -0.619 30 20 DBED C#CCCN1C[C@@H](NC(=O)[C@H]2CCCS2(=O)=O)[C@H](OC)C1 1082378713 SPOJTXWSUOLIKV-JHJVBQTASA-N 314.407 -0.598 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)C[C@H]1CCN(C)C1=O 1083112675 MDMIUTKUFYSVSE-HZSPNIEDSA-N 305.378 -0.600 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)c2ccnn2CC(F)F)C1 1083459503 NNMRTESBCOCMFW-PWSUYJOCSA-N 312.320 -0.054 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2COCCN2CC)C1 1083588067 VQXCIOBRBFNXOL-ILXRZTDVSA-N 311.426 -0.165 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)c2ccc(N(C)C)nn2)C1 1083963089 DXPYUXZVBRMFDV-OLZOCXBDSA-N 305.382 -0.106 30 20 DBED C[C@H]1CCn2ncc(C(=O)N[C@@H]3CN(CC#N)C[C@@H]3O)c2C1 1084005033 FGTZDIFNLOXWMT-SUHUHFCYSA-N 303.366 -0.236 30 20 DBED C#CCN[C@@H]1CCCC[C@H]1NC(=O)CN1CCC(=O)NC1=O 1085385888 WGZXLLHZTZPIQX-VXGBXAGGSA-N 306.366 -0.422 30 20 DBED CN(C[C@H]1CCN1CC#N)C(=O)c1cn(C[C@H]2CCOC2)nn1 1085897272 ZZPYEQRWBBBRER-CHWSQXEVSA-N 318.381 -0.016 30 20 DBED C#CCCN1CC[C@@H]1CN(C)C(=O)c1cn(C)c(=O)nc1O 1085967876 XJFWQGRNAMMBDV-LLVKDONJSA-N 304.350 -0.345 30 20 DBED CC(C)(C)n1cc(C(=O)N[C@@H]2CCN(CC#N)C[C@H]2O)nn1 1090313361 AGIUDORGUHBAMF-ZYHUDNBSSA-N 306.370 -0.278 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2ccc(C(N)=O)cc2)[C@H](O)C1 1090802693 RHRULVCFZQIGOU-ZIAGYGMSSA-N 301.346 -0.416 30 20 DBED C[C@H](NC(N)=O)C(=O)N1C[C@@H](Nc2cnc(C#N)cn2)[C@H](C)C1 1090967692 HGFZDJDKBRPHIY-WCABBAIRSA-N 317.353 -0.336 30 20 DBED C[C@@]12CN(CC#N)C[C@@H]1CN(C(=O)c1nnc(O)nc1O)C2 1091824055 OVOWQYGIQGEXMT-OQPBUACISA-N 304.310 -0.800 30 20 DBED C[C@@]12CN(CC#N)C[C@@H]1CN(C(=O)C1CC(=O)NC(=O)C1)C2 1092098172 QCUDUDOLJKPRKM-ABAIWWIYSA-N 304.350 -0.657 30 20 DBED CC(C)(O)CC(=O)N[C@@H]1CCN(c2ccc(C#N)nn2)C[C@@H]1O 1092144837 FBRVIQZIAZHGBG-NEPJUHHUSA-N 319.365 -0.435 30 20 DBED CC(=O)NCC(=O)N1C[C@@H](C)[C@H](CNc2ccc(C#N)nn2)C1 1092628540 CILPURYRZHSHRN-ZYHUDNBSSA-N 316.365 -0.009 30 20 DBED CCNC(=O)CC(=O)N[C@H]1[C@@H]2CN(c3cnc(C#N)cn3)C[C@@H]21 1093267521 YMDBOOBTDBAIAH-HBYGRHMLSA-N 314.349 -0.575 30 20 DBED C#CCNC(=O)CC(=O)NCCNc1nnc(CC)c(CC)n1 1093558446 VMTDHTJEKREYRB-UHFFFAOYSA-N 318.381 -0.336 30 20 DBED N#Cc1nc(=NCCNC(=O)[C@@H]2CCc3nc[nH]c3C2)cc[nH]1 1093850372 VHLBRSKNQDELME-SNVBAGLBSA-N 311.349 -0.174 30 20 DBED CN1CCN(CC(=O)N2C[C@H]3C[C@@H](NCC#N)C[C@H]2C3)CC1=O 1094950595 LOFRNYTXGMDGIL-BFHYXJOUSA-N 319.409 -0.747 30 20 DBED CC(=O)N[C@H](C)C(=O)N[C@@H]1CCCN(c2ccnc(C#N)n2)C1 1096134616 LEIFDYUXMHTUMA-ZYHUDNBSSA-N 316.365 -0.042 30 20 DBED N#Cc1nc(=N[C@H](CNC(=O)[C@@H]2[C@H]3COC[C@H]32)C2CC2)cc[nH]1 1096777570 VHEYAOGWPVFHTA-ZAZJYDDPSA-N 313.361 -0.031 30 20 DBED C[C@H](CNC(=O)[C@@H]1CCNC(=O)C1)N=c1cc[nH]cc1C#N 1097774260 PGMZNKCBPRZVGH-GHMZBOCLSA-N 301.350 -0.182 30 20 DBED C[C@@H](CNC(=O)c1cc(=O)n(C)o1)N=c1cc[nH]cc1C#N 1097782436 KQUBPARRHFEMTQ-VIFPVBQESA-N 301.306 -0.103 30 20 DBED C[C@@H](CNC(=O)[C@H]1C[C@H]1C(=O)N(C)C)Nc1nccnc1C#N 1098269645 OVQRUJJGPGGTNX-GARJFASQSA-N 316.365 -0.011 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CC(=O)N(C)C1)Nc1ccc(C#N)nn1 1098346585 RQSXTYAUIGXRQQ-VHSXEESVSA-N 302.338 -0.257 30 20 DBED C#CCCN(CCO)C1CCN(C(=O)CCCC(N)=O)CC1 1098581836 DAAQBKFZNYOTJQ-UHFFFAOYSA-N 309.410 -0.049 30 20 DBED N#CCN1C[C@@H]2CCC[C@]2(NC(=O)Cn2c(O)nnc2O)C1 1099138322 FIQGKDCGGBDXDP-ZANVPECISA-N 306.326 -0.816 30 20 DBED CCn1cc(C(=O)N[C@@H]2CCN(CC#CCOC)C[C@@H]2O)cn1 1099737998 HFUPCOHDPYIBBP-CABCVRRESA-N 320.393 -0.282 30 20 DBED CCn1nccc1C(=O)N[C@H]1CCN(CC#CCOC)C[C@H]1O 1099787982 ADFIGJMZKCIXRG-DZGCQCFKSA-N 320.393 -0.282 30 20 DBED C=C(C)C(C)(C)C(=O)N[C@@H]1CCN(Cc2nnnn2C)C[C@H]1O 1099947690 ZETMUOJPAVTPPN-VXGBXAGGSA-N 322.413 -0.136 30 20 DBED CS(=O)(=O)C1(C(=O)N[C@H]2CCN(CC#N)C[C@H]2O)CCC1 1100057035 BZLNSNLVEJYPLV-WDEREUQCSA-N 315.395 -0.971 30 20 DBED Cc1ccc(C#N)c(N(C)CCNC(=O)[C@@H]2CN(C)C(=O)N2)n1 1100255405 OFMSLRZNNLRIJX-LBPRGKRZSA-N 316.365 -0.162 30 20 DBED C#CCO[C@H](C)C(=O)NCC1CC(NCC(=O)NCC#N)C1 1100322832 WAXJTSRIEUQVHD-PNESKVBLSA-N 306.366 -0.851 30 20 DBED CCN(CCNC(=O)C1CN(C(C)=O)C1)c1nccnc1C#N 1100521646 RRYAOLXCBBOCLF-UHFFFAOYSA-N 316.365 -0.231 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H]1CN(C[C@H](C)OC)C[C@H]1C 1101899866 BHUSJGDXBNEXFM-HZSPNIEDSA-N 309.410 -0.155 30 20 DBED CN(CCNc1cncc(C#N)n1)C(=O)c1cnc(O)n1C 1101902816 GAEOMVJFVKWQBW-UHFFFAOYSA-N 301.310 -0.029 30 20 DBED Cc1nsc(N2CCO[C@H](CNC(=O)CC(N)=O)C2)c1C#N 1104305883 YZIPYCDUDNLNCK-SECBINFHSA-N 323.378 -0.480 30 20 DBED CC(C)[C@@H](CNC(=O)CNC(N)=O)Nc1cncc(C#N)n1 1105106645 ZUSHSHYPRJDIEX-SNVBAGLBSA-N 305.342 -0.431 30 20 DBED CC(C)[C@@H](CNC(=O)CCNC(N)=O)Nc1cncc(C#N)n1 1105182194 AVSHQJNASJXEEG-LLVKDONJSA-N 319.369 -0.041 30 20 DBED CN(CCN(C)c1cncc(C#N)n1)C(=O)[C@@H]1CCNC(=O)C1 1105358701 WEKLWMNLXAQHBP-LLVKDONJSA-N 316.365 -0.231 30 20 DBED CN(CCN(C)c1ccc(C#N)nn1)C(=O)[C@H]1CC[C@@H]1C(N)=O 1105521400 ITBGMKKCMQUKJT-RYUDHWBXSA-N 316.365 -0.246 30 20 DBED N#Cc1nccnc1NC[C@H](O)CNC(=O)C[C@@H]1CCCO1 1105718821 RSCGEWDQDCWNNG-MNOVXSKESA-N 305.338 -0.194 30 20 DBED C[C@H](OCC1CC1)C(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1 1105732402 PCTWNZHQGOPDEM-JQWIXIFHSA-N 319.365 -0.526 30 20 DBED Cc1nccn1CC(=O)NC[C@@H](O)CNc1ccc(C#N)nn1 1105866852 LISLIRDNHZNTKX-LBPRGKRZSA-N 315.337 -0.558 30 20 DBED Cn1cncc1C(=O)NC[C@@H](O)CN=c1cc[nH]cc1C#N 1106011246 MJBZEFMILPNZJL-NSHDSACASA-N 300.322 -0.689 30 20 DBED CO[C@H](C(=O)NC[C@H](O)CNc1nccnc1C#N)C(C)C 1106092950 QTACBCXFUHKSAC-PWSUYJOCSA-N 307.354 -0.092 30 20 DBED C[C@@H](CCNc1cncc(C#N)n1)NC(=O)CN1CCOCC1 1106280981 FZEKJKZVBRBNFF-LBPRGKRZSA-N 318.381 -0.013 30 20 DBED CCN(CCNc1cnc(C#N)cn1)C(=O)[C@H]1COCCN1C 1106731969 PHDWXJQBRJXQAZ-CYBMUJFWSA-N 318.381 -0.061 30 20 DBED C=CCNC[C@@H]1CN(C(=O)CNC(=O)Cn2cncn2)C[C@H]1C 1107028857 GIYNKZNVZCYXGK-CHWSQXEVSA-N 320.397 -0.736 30 20 DBED C=CCCOCC(=O)N1C[C@@H](C)[C@H](CNCc2nnnn2C)C1 1107058916 HTIHWJPUKCBQPN-CHWSQXEVSA-N 322.413 -0.013 30 20 DBED C#CCNC(=O)CC(=O)NC[C@]1(C)CN(CC#CC)CCO1 1107885237 UASSEWQSUZYAFV-MRXNPFEDSA-N 305.378 -0.644 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)c1ccn(C)c(=O)c1 1108771361 IGBXWKQYWLPHGM-JTQLQIEISA-N 312.333 -0.301 30 20 DBED C[C@@H](CN(C)c1ccnc(C#N)n1)NC(=O)[C@H]1C[C@H]1C(N)=O 1109241913 AWPXQXYYSKUZPE-AEJSXWLSSA-N 302.338 -0.589 30 20 DBED N#Cc1ccc(NCCN(CCO)C(=O)c2ccon2)nn1 1111438169 NFFAWUXBYFUCAS-UHFFFAOYSA-N 302.294 -0.117 30 20 DBED N#Cc1ccc(NCC2(NC(=O)C(N)=O)CCOCC2)nc1 1112263549 YXWDIPBAVLLNAC-UHFFFAOYSA-N 303.322 -0.484 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)[C@H]2CCNC(=O)C2)CC1 1112765907 DZXNTYWBSQSFJS-OLZOCXBDSA-N 322.409 -0.653 30 20 DBED C[C@@H]1OCC[C@]1(C)C(=O)N1CCN(CC(=O)NCC#N)CC1 1113137585 ZJLXMOGRPNDYPB-WFASDCNBSA-N 308.382 -0.415 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)c2ocnc2C2CC2)CC1 1113343873 HJZLKWPXCOCJJY-UHFFFAOYSA-N 317.349 -0.050 30 20 DBED C[C@H](CNC(=O)C[C@@H]1CCC(=O)N1)N(C)c1cnc(C#N)cn1 1113651629 FLZFDDFPOKOFOP-MNOVXSKESA-N 316.365 -0.042 30 20 DBED Cn1nncc1CN1C[C@H]2[C@H](NC(=O)CSCC#N)[C@H]2C1 1113891835 YPZGFAGMHOLSHW-PJXYFTJBSA-N 306.395 -0.382 30 20 DBED C[C@@H](c1nnnn1C)N1C[C@H]2[C@H](NC(=O)C#CC3CC3)[C@H]2C1 1114253844 VULLFXORDFKBEQ-PQFRYHKHSA-N 300.366 -0.269 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@@H](OCC)C(C)C)[C@H]2C1 1114268643 OZWDNEMFNVGXDN-XNISGKROSA-N 321.421 -0.157 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@@H](CC)N(C)C)[C@H]2C1 1114460765 GYGGKULPTMPGOW-COMQUAJESA-N 308.426 -0.325 30 20 DBED C[C@H](CN(C)C(=O)C[C@@H]1COC(=O)C1)N=c1cc[nH]c(C#N)n1 1115710781 BOSYRQBTTVYZES-MNOVXSKESA-N 317.349 -0.018 30 20 DBED COc1nc(Cl)c(C=NNC(=S)NCC(N)=O)n1C 1117704294 SOUTVDUCZBBQQF-UHFFFAOYSA-N 304.763 -0.635 30 20 DBED N#Cc1ccsc1NC(=O)C(=O)NC[C@H]1CC[C@@H](C(N)=O)O1 1117748528 CWQBAOHWEZTNHN-BDAKNGLRSA-N 322.346 -0.293 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CC[C@@](O)(CC)C2)C1=O 1117963223 NUAGQIPDCFEOOZ-LRDDRELGSA-N 323.393 -0.395 30 20 DBED Cc1cc(=O)n(C)cc1NC(=O)C(=O)N1CC[C@](O)(CC#N)C1 1118139910 BIWLBZLRFJJGOX-OAHLLOKOSA-N 318.333 -0.491 30 20 DBED C[C@]1(O)CCCN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1 1118949291 YFOXALYIYIWZBA-CJNGLKHVSA-N 320.393 -0.441 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H](CO)CNC(=O)C1CCOCC1 1120987363 XBAFMTZVMFLRCT-CYBMUJFWSA-N 304.350 -0.309 30 20 DBED N#Cc1cnc(N[C@H](CO)CNC(=O)C2=COCCO2)cn1 1121003692 MJBYHENLJKZJEF-JTQLQIEISA-N 305.294 -0.875 30 20 DBED CCC(=O)NCC(=O)NC[C@H](CO)Nc1ncc(C#N)cc1F 1121243669 WNFMZWYXLRKXIW-SNVBAGLBSA-N 323.328 -0.492 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)C[C@@H]2COC(=O)C2)cn1 1121302696 GQWSLPGEJRLTPJ-GWCFXTLKSA-N 318.333 -0.205 30 20 DBED N#Cc1cncc(NC[C@H]2CC[C@@H](NC(=O)CC(N)=O)C2)n1 1123754267 UOLATPGCXFDXLV-VHSXEESVSA-N 302.338 -0.080 30 20 DBED CN(C[C@@H](O)CNc1ccc(C#N)nn1)C(=O)c1cnns1 1124090176 DDOZKKGOHPPKCL-VIFPVBQESA-N 319.350 -0.255 30 20 DBED CN(C[C@H](O)CNc1cnc(C#N)cn1)C(=O)c1cocn1 1124199693 AFJDUOKNEQUBKN-SNVBAGLBSA-N 302.294 -0.119 30 20 DBED C[C@@H](CC(N)=O)C(=O)N(C)C[C@@H](O)CNc1ccc(C#N)cn1 1124694026 MAMHXUYRIYDBJH-JQWIXIFHSA-N 319.365 -0.304 30 20 DBED CO[C@H](C(=O)N(C)C[C@@H](O)CN=c1cc[nH]c(C#N)n1)C(C)C 1124729214 XXXCUOLYSPIYGS-FZMZJTMJSA-N 321.381 -0.328 30 20 DBED Cc1cc(N2CC[C@@H](NCCNC(=O)[C@H](C)C#N)C2=O)n(C)n1 1124903957 VBOCJRCNAXDHIV-ZYHUDNBSSA-N 318.381 -0.301 30 20 DBED COCCN(CCNC(=O)c1cnn[nH]1)c1ccncc1C#N 1126561078 BIPCLPAXNOUCCE-UHFFFAOYSA-N 315.337 -0.046 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCN[C@@H]1CCCN(C)C1=O 1129770790 KKCKQPFVOUQOPT-KGLIPLIRSA-N 306.410 -0.589 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)c1cnc2[nH]ncc2c1 1130099147 WZLRGYXGCHCOPO-SNVBAGLBSA-N 316.365 -0.032 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)c1cc(OC)n(C)n1 1131129766 KHULQQKHTIAEBY-SNVBAGLBSA-N 309.370 -0.561 30 20 DBED CCCN(C)CC(=O)N1CCC(=O)NCCN(CC#N)CC1 1131392758 DRBHGPQGMMNSAK-UHFFFAOYSA-N 309.414 -0.498 30 20 DBED C=CCNC(=O)CN1C[C@H](NC(=O)c2cnnn2C)CC[C@@H]1C 1132006541 MJUKRIFEJQACEM-NWDGAFQWSA-N 320.397 -0.300 30 20 DBED C=CCOCCNCCNC(=O)c1nc(C)n(-c2nc[nH]n2)n1 1132109936 XAYJYHJXIQRWQF-UHFFFAOYSA-N 320.357 -0.784 30 20 DBED C#Cc1ccc(C(=O)NCCNCC(=O)NC(=O)NCC)cc1 1132215674 DYLOUFYSBNMGOX-UHFFFAOYSA-N 316.361 -0.167 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1ccn(C(C)C)n1 1134596747 RIKRLSFKIHJWPZ-LBPRGKRZSA-N 305.382 -0.079 30 20 DBED CC#CCN[C@@H](C)C[C@H](C)NC(=O)CS(=O)(=O)N(C)C 1136062928 IQJWVIAXDAHGRL-RYUDHWBXSA-N 303.428 -0.226 30 20 DBED CC[C@H](C)C(=O)NC[C@H]1CN(CC(=O)NCC#N)CCCO1 1149169125 ZGABKYNEWRVQNT-STQMWFEESA-N 310.398 -0.121 30 20 DBED Cc1[nH]nc2ncc(C(=O)NCCNCC(=O)NCC#N)cc12 1151094361 WRIHRTYWJINQBV-UHFFFAOYSA-N 315.337 -0.775 30 20 DBED CCN(CCC#N)C(=O)CNCCCNC(=O)c1ccnn1C 1155480473 AHFYQQPJXSABSF-UHFFFAOYSA-N 320.397 -0.108 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)c1ccc(O)nc1 1156705058 GGGRVNSKEAKHCL-GFCCVEGCSA-N 318.377 -0.023 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)CCCC(N)=O 1157274507 VOAKBBZKORUREO-LLVKDONJSA-N 311.386 -0.892 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)C[C@H]1CCC(=O)NC1 1159771179 ZFQRHACCCBKYFA-QWHCGFSZSA-N 324.425 -0.311 30 20 DBED COc1cc(C(=O)NCCCNCC(=O)NCC#N)ccn1 1161643899 DDPAIKVBERYEJL-UHFFFAOYSA-N 305.338 -0.561 30 20 DBED COCC1(CNC(=O)[C@@H]2COCCO2)CCN(CC#N)CC1 1162131993 SNNBCZOZDMJPJY-ZDUSSCGKSA-N 311.382 -0.230 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)c1c(C)n[nH]c1C 1168578230 BQPKIKJLYTYINI-LBPRGKRZSA-N 305.382 -0.126 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)c1cc(CC)nn1C 1169100389 GZZPCJNJQPTYOJ-GFCCVEGCSA-N 319.409 -0.170 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)C1(C(=O)N(C)C)CC1 1170755189 APVGUKVXKKWCOJ-LBPRGKRZSA-N 324.425 -0.359 30 20 DBED CC(=O)NCC(=O)NCC(=O)N[C@@H](C)CCCCNCC#N 1171562150 DCGFBOGQWDAXPE-NSHDSACASA-N 311.386 -0.973 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](NCCN(C)S(C)(=O)=O)C1 1181653310 XJGDPVWWMPGXOB-GHMZBOCLSA-N 302.400 -0.772 30 20 DBED CC(C)C#CC(=O)N1CC[C@@H](NCCN2C(=O)CCC2=O)C1 1182415050 ULMGPHVVOSQQFX-CYBMUJFWSA-N 305.378 -0.015 30 20 DBED C=CCNC(=O)CNC[C@H]1CCN(C(=O)CC(=O)NC)C[C@@H]1C 1184242578 XVURALUMZMXMEQ-QWHCGFSZSA-N 324.425 -0.501 30 20 DBED CO[C@H](C(=O)N1CC[C@@H](NCC(=O)NCC#N)C1)C1CCC1 1184654925 PZHJSXZYVXYDTR-OCCSQVGLSA-N 308.382 -0.368 30 20 DBED C[C@H]1CN(C(=O)c2cn(C)c(=O)nc2O)CC[C@H]1CNCC#N 1185683023 VWWBQYNEODHARM-QWRGUYRKSA-N 319.365 -0.303 30 20 DBED COCC#CCN1C[C@@H]2CCN(C(=O)C[C@H]3CCNC3=O)[C@@H]2C1 1188181256 FLHNBYDLYSZCJH-QLFBSQMISA-N 319.405 -0.305 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@@H]1CCN(C(=O)c2cnnn2C)C1 1189935011 TWHDGPFWZNIMNP-NWDGAFQWSA-N 318.381 -0.901 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)c2ocnc2C)C1 1192037849 NSDUWVNEYZIBKX-IJLUTSLNSA-N 322.365 -0.551 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)CC[C@@H]2CCOC2)C1 1192187477 RGNQLADKRVPBAK-RBSFLKMASA-N 310.394 -0.386 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)C#CC2CC2)C1 1192862816 VXWMJNIAZDCCMI-MRVWCRGKSA-N 305.378 -0.748 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)Cc2ccncc2C)C1 1192989206 NEDKCZNEYXBDRG-HZPDHXFCSA-N 317.389 -0.256 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)CNC(=O)c2ccoc2C)C1 1193190635 JJVLIMARFHOKNW-CHWSQXEVSA-N 307.350 -0.335 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)C2(C)CCC2)C1 1195302073 YOFCDLLBJHMXMK-YNEHKIRRSA-N 307.394 -0.524 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2ocnc2CC)C1 1196020410 NKWALZJZZSKHKZ-VXGBXAGGSA-N 322.365 -0.686 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)C2(CF)CC2)C1 1196097559 JYLFSKMQUNNTIE-QJPTWQEYSA-N 311.357 -0.965 30 20 DBED C[C@@H]1CO[C@@H](C(=O)N2CCCN(CC(=O)NCC#N)CC2)C1 1196574429 PFXBOSDMJXCTIJ-QWHCGFSZSA-N 308.382 -0.415 30 20 DBED Cc1cnoc1C(=O)N1CCCN(CC(=O)NCC#N)CC1 1197676276 CGIPGSVYUDQYEU-UHFFFAOYSA-N 305.338 -0.229 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)[C@@H](C)n2cccn2)CC1 1199413859 CRPAWFQQBQJURV-CYBMUJFWSA-N 317.393 -0.226 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)CN2CCCC2=O)CCCO1 1199796916 OEZFUPAPFXGSCF-CQSZACIVSA-N 307.394 -0.161 30 20 DBED C#CCCNC[C@H]1CN(C(=O)C[C@H](C)NC(N)=O)CCCO1 1200509890 IAWKCBXHADLAPG-STQMWFEESA-N 310.398 -0.336 30 20 DBED C#CCNC1CCN(C(=O)[C@H](C)NS(=O)(=O)CC)CC1 1200686450 QRYHSTIZVRPCDX-NSHDSACASA-N 301.412 -0.472 30 20 DBED CC#CCNC[C@H]1CN(C(=O)[C@@H]2CCCN2C(N)=O)CCCO1 1202234636 GXAXVGRGQHEDEW-KBPBESRZSA-N 322.409 -0.240 30 20 DBED C=CCNC(=O)[C@H](C)NC1CCN(C(=O)CC(=O)N(C)C)CC1 1202827146 RZOJQRUANBUPLV-LBPRGKRZSA-N 324.425 -0.264 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCC(CNCc2nnn(C)n2)CC1 1205119211 OCLIBQOFLLPHBB-OAHLLOKOSA-N 322.413 -0.135 30 20 DBED C#CCOCCC(=O)N1CCC(CN[C@@H](C)C(=O)NC)CC1 1205258601 HNBYGKDXUZJFQU-ZDUSSCGKSA-N 309.410 -0.011 30 20 DBED COCC#CCNCC1CCN(C(=O)C[C@H]2CCNC2=O)CC1 1205454586 MVIZCOMUAJYHDU-OAHLLOKOSA-N 321.421 -0.009 30 20 DBED COCC#CCNCC1CCN(C(=O)C(=O)NCC2CC2)CC1 1206716494 ARPCAVDILRHZOT-UHFFFAOYSA-N 321.421 -0.009 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)c2n[nH]cc2C)[C@H](C)C1 1206938238 NDTQGPSCNQEBQE-JHJVBQTASA-N 317.393 -0.094 30 20 DBED COCCCNC(=O)CN[C@H]1CCCN(C(=O)[C@@H](C)C#N)C1 1207687490 GKBMEYNVHYNGFP-STQMWFEESA-N 310.398 -0.121 30 20 DBED C#CCCN[C@@H]1CCCN(C(=O)CN(C)S(C)(=O)=O)C1 1208271842 RCQHEJOTDRLYAX-GFCCVEGCSA-N 301.412 -0.518 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)c2cn(C)c(O)n2)[C@H](C)C1 1208491888 ANSAPIYZRVIYNT-GHMZBOCLSA-N 321.381 -0.522 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)[C@H]2OCC[C@H]2C)[C@H](C)C1 1208706645 BOOXRVMPHWSQKK-BHPKHCPMSA-N 307.394 -0.403 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)Cc2cnc[nH]2)C1 1209837747 SGLRIMIWOLVSHN-LBPRGKRZSA-N 305.382 -0.165 30 20 DBED Cc1conc1C(=O)N1CCC[C@H](NCC(=O)NCC#N)C1 1210492743 BZNNCXHVAZSTTD-NSHDSACASA-N 305.338 -0.183 30 20 DBED C=CCOCCN1C[C@@H](NC(=O)[C@H](C)NC(N)=O)[C@H](OC)C1 1212170434 ZOQIPWQIRATAFY-QJPTWQEYSA-N 314.386 -0.939 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2cnsn2)C[C@H]1OC 1212257804 IXJGZEKBWDIFHR-CYZMBNFOSA-N 324.406 -0.108 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)[C@]2(C)CCNC(=O)C2)C[C@H]1C 1214954637 CUQDRZKJVWDESJ-CKEIUWERSA-N 321.421 -0.011 30 20 DBED C=CCOCC(=O)N1CCO[C@@H]2CN(Cc3nonc3C)C[C@@H]21 1217531805 ATSBRZDUQYOMHC-UONOGXRCSA-N 322.365 -0.008 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CCNC(=O)COC 1218066124 NVBBMWIIGWJYJW-UONOGXRCSA-N 323.393 -0.926 30 20 DBED CNC(=O)CCCCC(=O)N1CCO[C@@H]2CN(CC#N)C[C@@H]21 1219062582 XXJOYBARRYBAKC-QWHCGFSZSA-N 308.382 -0.272 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)C[C@@H]2COC(=O)C2)C1 1219458202 UBHCWGKQXKSZNU-XQQFMLRXSA-N 312.366 -0.697 30 20 DBED C[C@H](C(=O)NC(C)(C)C)N1C[C@H](O)[C@H](NC(=O)C#CC2CC2)C1 1219596318 OFZWIAQRVRIYBG-BNOWGMLFSA-N 321.421 -0.136 30 20 DBED C#CCOCCC(=O)N1C[C@H]2CCN(CC(=O)NC3CC3)C[C@H]21 1221544998 RLWVYERHHCQZKX-UKRRQHHQSA-N 319.405 -0.162 30 20 DBED C=CCOCCN1CC[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)[C@@H]2C1 1221814775 BJLDXIHNPCBMBG-YIYPIFLZSA-N 307.394 -0.157 30 20 DBED C#CCNC(=O)CC(=O)NCC1CCN([C@H](C)COC)CC1 1222921451 SEXWSAWQQOJZDM-CYBMUJFWSA-N 309.410 -0.011 30 20 DBED COCC#CCN1CCC(NC(=O)[C@@H]2CCC(=O)N2C)CC1 1228661213 VJYLMOQZTQRQDF-AWEZNQCLSA-N 307.394 -0.162 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC(NC(=O)[C@@H]2CCN(C)C2)CC1 1230262636 KXSWJXJWOGDEQT-ZIAGYGMSSA-N 320.437 -0.343 30 20 DBED C=CCCC(=O)NCC[C@@H]1CN(C[C@H](C)O)CCS1(=O)=O 1230437235 XHMASSRLQUDZPM-QWHCGFSZSA-N 318.439 -0.061 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)Cc1cccnc1 1233705537 DFOUUGFJDNDMCC-HNNXBMFYSA-N 314.389 -0.094 30 20 DBED CS(=O)(=O)N1CCC[C@@H]1CNC(=O)[C@H](N)CCCC#N 1261430760 ZRIPOJXQQIZFRD-GHMZBOCLSA-N 302.400 -0.452 30 20 DBED C#CCCCNC(=O)C(=O)N[C@@H]1CCN(C2CCOCC2)C1=O 1261927973 WMFVBVUZHZJHJT-CYBMUJFWSA-N 321.377 -0.588 30 20 DBED C=CCNC(=O)[C@H](C)OC(=O)c1cn(Cc2noc(C)n2)nn1 1322215340 ZUWUPXFEQDYGGE-QMMMGPOBSA-N 320.309 -0.135 30 20 DBED C#C[C@@H](NC(=O)C(=O)NCCCC(=O)NC1CC1)[C@@H]1CCCO1 1322264511 NBBXAGNKBIQVKK-OLZOCXBDSA-N 321.377 -0.542 30 20 DBED COCC1=CCN(C(=O)C(=O)NC2CCN(CC#N)CC2)CC1 1322622837 PLYHLNBRXPDGQF-UHFFFAOYSA-N 320.393 -0.104 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H](C=C)COC)C1=O 1324239560 WQPIKVQBAUFBOG-RYUDHWBXSA-N 309.366 -0.451 30 20 DBED N#Cc1ccc(CNC(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)nc1 1326920362 RCNKWMNBDPNJOG-LLVKDONJSA-N 314.305 -0.601 30 20 DBED C=C(C)COCCNC(=O)C(=O)NC[C@H]1CCS(=O)(=O)C1 1327620668 CEUSMPUNIAZTOL-LLVKDONJSA-N 318.395 -0.754 30 20 DBED C[C@H]1COC(C)(C)CN1C(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1329454799 OUHCJWDZFFCTTA-NHYWBVRUSA-N 309.366 -0.111 30 20 DBED C=CCn1c(C)nnc1S(=O)(=O)CCS(=O)(=O)CC 1329914262 UYIRDMOECPEOQH-UHFFFAOYSA-N 307.397 -0.019 30 20 DBED C=CCC1(O)CCN(C(=O)C(=O)N2C[C@@H]3CNC[C@@H]3C2)CC1 1331705204 FIHUMOZRUHSCKR-BETUJISGSA-N 307.394 -0.406 30 20 DBED COC(=O)C1(C#N)CCN(C(=O)C(=O)N(C)C[C@H](C)N)CC1 1331866449 XOMNRYBMQVBRCX-JTQLQIEISA-N 310.354 -0.903 30 20 DBED C#CCNCC(=O)NCc1ccc([C@@]2(C)NC(=O)NC2=O)cc1 1340033399 KOWDRXYQHKTDLX-MRXNPFEDSA-N 314.345 -0.420 30 20 DBED C=C(C)Cn1c(-c2ncnn2C)nnc1N1CCN(C)C(=O)C1 1341686080 NEMOGWZHUDUHBF-UHFFFAOYSA-N 316.369 -0.072 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CC[C@@H](N)[C@@H](CC)C2)nn1 1348950029 AMCYGTQNYHHTLV-WCQYABFASA-N 320.397 -0.334 30 20 DBED C=C(Br)CNC(=O)C(=O)NCCN(C)C(=O)OC 1350914664 CWIREQATXAVWSO-UHFFFAOYSA-N 322.159 -0.174 30 20 DBED Cn1nc2c(cc1=O)CN(C(=O)C1(C#N)CCOCC1)CC2 1361979670 GKQPWVPBLJSSNP-UHFFFAOYSA-N 302.334 -0.015 30 20 DBED Cc1ccc(C(=O)NCCn2cc(C#N)c(O)nc2=O)nn1 1363130799 ZKUCGKHATQGUFJ-UHFFFAOYSA-N 300.278 -0.651 30 20 DBED N#Cc1cn(CCNC(=O)NC[C@@H]2CCCO2)c(=O)nc1O 1367337514 TXNNWZZMYMGMRY-JTQLQIEISA-N 307.310 -0.701 30 20 DBED C[C@H]1CN(C(=O)CN[C@H]2C[C@H](NC(=O)[C@H](C)C#N)C2)CCO1 1370449810 WDDATZJZKBIAGY-YVECIDJPSA-N 308.382 -0.370 30 20 DBED CCCC[C@H](NC(N)=O)C(=O)N(C)CCNC(=O)[C@H](C)C#N 1373648819 GPOTWLKELFKIEC-MNOVXSKESA-N 311.386 -0.052 30 20 DBED CCCN(CCNC(=O)Cn1ncn(C)c1=O)C(=O)[C@@H](C)C#N 1374142528 XMEXCDVJQZRVOJ-NSHDSACASA-N 322.369 -0.904 30 20 DBED N#Cc1c[nH]c(C(=O)NCC2(NC(=O)Cc3nc[nH]n3)CC2)c1 1378715917 KSIGSFAFAXTDOM-UHFFFAOYSA-N 313.321 -0.374 30 20 DBED Cc1cc(CC(=O)N(C)C[C@@H](O)CNC(=O)[C@@H](C)C#N)no1 1384202678 VRRHITDJWWKMSV-CABZTGNLSA-N 308.338 -0.379 30 20 DBED Cc1ncc(C(=O)NC[C@]2(O)CCN(C(=O)[C@@H](C)C#N)C2)[nH]1 1390439226 XSLOONCBSCXSER-LKFCYVNXSA-N 305.338 -0.429 30 20 DBED Cc1nn[nH]c1C(=O)N1CCN(CCNC(=O)[C@H](C)C#N)CC1 1407443551 CJQFHVVHFISQSB-SNVBAGLBSA-N 319.369 -0.853 30 20 DBED C=C(Cl)CN(C)[C@@H](C)CNC(=O)Cn1ncn(C)c1=O 1409584410 NNYRVYKRBRRZFZ-JTQLQIEISA-N 301.778 -0.229 30 20 DBED Cc1cnc2nc(C(=O)N[C@H](C)CNC(=O)[C@@H](C)C#N)nn2c1 1410240846 KNZAGYVKLQAWHE-VHSXEESVSA-N 315.337 -0.173 30 20 DBED Cc1cc(O)nc(CNc2c(C#N)c(=O)n(C)c(=O)n2C)n1 1413892505 PKUZPWLRFWTDNX-UHFFFAOYSA-N 302.294 -0.628 30 20 DBED CC(=O)NC[C@@H]1CCCCN1C(=O)NCCn1cnc(C#N)n1 1414633449 NMEWFWGRQMBIIV-LBPRGKRZSA-N 319.369 -0.150 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](C1CC1)N(C)C(=O)c1cnnn1C 1424899369 AMMBZGCKRNLDDS-MWLCHTKSSA-N 304.354 -0.058 30 20 DBED CC1CCN(CC(=O)N(C)C[C@@H](O)CNC(=O)[C@@H](C)C#N)CC1 1428249361 VLKIUTUXPMGAPD-KBPBESRZSA-N 324.425 -0.187 30 20 DBED C[C@@H](CNC(=O)CN1CCCNC1=O)N(C)C(=O)[C@H](C)C#N 1442833427 KPGNPAIXXDTVBC-MNOVXSKESA-N 309.370 -0.476 30 20 DBED C[C@H](C#N)C(=O)N1CC([C@@H](C)NC(=O)CN2CCCC2=O)C1 1443168244 SIYPPJGEBBDGPA-GHMZBOCLSA-N 306.366 -0.268 30 20 DBED CC(=O)N1CCC[C@@H]1C(=O)N1CC(CNC(=O)[C@H](C)C#N)C1 1450711434 LNYVNPAODHJYBB-ZWNOBZJWSA-N 306.366 -0.268 30 20 DBED C[C@H](C#N)C(=O)N(C)C1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1 1450733931 PTZVICTUKLABND-JLLWLGSASA-N 306.366 -0.283 30 20 DBED COC[C@@H](C)[C@H](C)C(=O)NCCn1cc(C#N)c(O)nc1=O 1453843192 NGRBZJRYZZQXHS-ZJUUUORDSA-N 308.338 -0.145 30 20 DBED C[C@H](CC(N)=O)C(=O)N1CC(NC(=O)c2cc(C#N)c[nH]2)C1 1456245485 AQWNSKPBQAKHRV-MRVPVSSYSA-N 303.322 -0.662 30 20 DBED CNS(=O)(=O)CCC(=O)N(C)CCN(C)C(=O)[C@@H](C)C#N 1457784594 RFTYZBYPNLMYOB-JTQLQIEISA-N 318.399 -0.998 30 20 DBED N#CC1(CNC(=O)NC[C@H](O)Cn2ccnn2)CCOCC1 1479558646 CTUINMFGSMYNOS-NSHDSACASA-N 308.342 -0.741 30 20 DBED C=C(Cl)CN(C)C[C@H](C)NC(=O)[C@@H]1CC(=O)NC(=O)N1 1483391611 PPYUIPCONYSJEW-IUCAKERBSA-N 302.762 -0.227 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@@H](O)CNC(=O)[C@H]2CC2(F)F)c1 1501478768 AWMOSLZCFUQXAT-DTWKUNHWSA-N 312.276 -0.252 30 20 DBED C[C@@H](C#N)C(=O)N(C)C1CCN(C(=O)[C@H]2CN(C)CCO2)CC1 1510152457 AXICJZUIKFUJJQ-GXTWGEPZSA-N 322.409 -0.074 30 20 DBED C#CCCCC(=O)NCCN1CCN(C(=O)CNC(=O)O)CC1 1573304073 YJGNRKCQGYVINA-UHFFFAOYSA-N 324.381 -0.682 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](C)N(C)c1nccnc1-c1nn[nH]n1 1573577078 LVKQATSMYSEHBT-IUCAKERBSA-N 315.341 -0.243 30 20 DBED CO[C@H]1COCC[C@H]1N(C)c1cnc(-c2nn[nH]n2)c(C#N)n1 1579618415 JXLQKEVUEYTRIK-ZJUUUORDSA-N 316.325 -0.232 30 20 DBED C#CC1(F)CN(C(=O)C(=O)Nc2ccn(C(C)(C)C(=O)O)n2)C1 1588386337 ORVWFKUBODHHIZ-UHFFFAOYSA-N 322.296 -0.175 30 20 DBED C#CCN(CC(=O)O)c1nnc(-c2cnns2)n1CCOC 1588426494 NQKQETCZNNNFTJ-UHFFFAOYSA-N 322.350 -0.033 30 20 DBED C#CCNC(=O)CNC1(CNC(=O)[C@H]2C[C@@H]2C(=O)O)CCCC1 1588484250 XDHMNHFVFMMDNB-RYUDHWBXSA-N 321.377 -0.525 30 20 DBED CC(C)[C@](C)(C#N)NC(=O)CN1CCNC(=O)[C@H]1CC(=O)O 1590961717 WYAKWBYIXBQHAS-YGRLFVJLSA-N 310.354 -0.684 30 20 DBED N#Cc1ccc([C@@H](O)C(=O)O[C@H]2CCN(CC(=O)O)C2=O)cc1 1594617757 KCHJHGMXLYIODP-WCQYABFASA-N 318.285 -0.180 30 20 DBED N#Cc1ccncc1N1CCN(C(=O)COCC(=O)O)CC1 1601128463 MOQYXGJIXNQTGR-UHFFFAOYSA-N 304.306 -0.297 30 20 DBED N#Cc1ncn(CCNC(=O)Cc2ccc(C(=O)O)nc2)n1 1601135194 KGXYKOWJFVHQLL-UHFFFAOYSA-N 300.278 -0.398 30 20 DBED N#Cc1nc(=N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@@H]3C(=O)O)C2)cc[nH]1 1608225540 QODVIJAIUDNAHF-KYXWUPHJSA-N 301.306 -0.450 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H](C)CCNC(=O)c1nccnc1N 1713405291 PBNMSSBJWHQZMO-WDEREUQCSA-N 320.397 -0.153 30 20 DBED C=CCN1CCN(CCNC(=O)[C@H](C)[C@@H]2CCC(=O)N2)CC1 1752372952 MAUNSNUFSMZEJV-KGLIPLIRSA-N 308.426 -0.179 30 20 DBED C=CCN1CC[C@@H](N(CC)CCNC(=O)c2ncn(C)n2)C1=O 1753081760 RKKOIZAERDBBJC-GFCCVEGCSA-N 320.397 -0.346 30 20 DBED C#CCN1CCN(CCN(C)C(=O)[C@H]2CCN(C)C2=O)CC1 1753343582 WCIRXQYLJPOQCQ-AWEZNQCLSA-N 306.410 -0.826 30 20 DBED C=CCNC(=O)[C@H](C)N1CC(NC(=O)[C@H]2CCCCN2C)C1 1753381057 QVDAEMYJUDOQNF-GXTWGEPZSA-N 308.426 -0.038 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H]1CC[C@H](NCC(=O)NCC#N)CC1 1753580387 DIEXJOYLVICGHC-IHRRRGAJSA-N 320.393 -0.319 30 20 DBED C=CCNC(=O)CN1CCO[C@@H](CNC(=O)c2cccnn2)C1 1753653981 MCMVUVYVPFVUAQ-LBPRGKRZSA-N 319.365 -0.791 30 20 DBED C[C@@H](CNCC(=O)NCC#N)N(C)C(=O)CCc1ncccn1 1753718686 OPSBFSWYTFXSCK-LBPRGKRZSA-N 318.381 -0.515 30 20 DBED CNS(=O)(=O)CCC(=O)N1CCC[C@@H]([C@H](C)NCC#N)C1 1753794879 TXHUWOHPUQZVJA-NWDGAFQWSA-N 316.427 -0.334 30 20 DBED C#CCNC(=O)CN(C)CCN(C)C(=O)c1cn(C)nc1C 1753849408 FAYPKBZMQFKWJS-UHFFFAOYSA-N 305.382 -0.518 30 20 DBED C#Cc1ccc(C(=O)NC[C@H](O)CNCc2cnnn2C)cn1 1753933876 PWXQIOSYCCWGDJ-CQSZACIVSA-N 314.349 -0.928 30 20 DBED COCC#CCNCC[C@@H](C)NC(=O)CC[C@H]1NC(=O)NC1=O 1754021232 KYQVLZXCFZDHAM-VXGBXAGGSA-N 324.381 -0.891 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCN(C)C(=O)c1ccc(C)nn1 1754370972 SUDQTUDAWVECES-CYBMUJFWSA-N 317.393 -0.025 30 20 DBED COCC#CCN1CC[C@@H]1CNC(=O)CNC(=O)C(C)(C)C 1754502571 LOPWZCIZPUIWEV-CYBMUJFWSA-N 309.410 -0.011 30 20 DBED CC#CCN1CC(N(C)C(=O)[C@H](CCC)S(N)(=O)=O)C1 1754579510 RUFZFVBMAJPBBX-LBPRGKRZSA-N 301.412 -0.391 30 20 DBED C=CCC1(C(=O)NCC2(O)CN(C[C@H](C)O)C2)CCOCC1 1754776635 JEBNRGCIEKZEJP-ZDUSSCGKSA-N 312.410 -0.097 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2CN(C(=O)COC(C)C)C[C@H]2C1 1754839920 IZLZKQITSRJIKA-SOUVJXGZSA-N 321.421 -0.061 30 20 DBED C=CCOCCN1CCOC[C@@H]1CNC(=O)[C@H]1COCCO1 1754964047 TXKQSRIDXCXDLT-UONOGXRCSA-N 314.382 -0.579 30 20 DBED C=CCNC(=O)[C@@H](C)NC[C@H]1CN(C(=O)c2ccon2)CCO1 1754994459 JFJDWAHDERSNKG-NEPJUHHUSA-N 322.365 -0.204 30 20 DBED COCC#CCN[C@H]1CN(C(=O)C2CN(C(C)=O)C2)C[C@@H]1C 1755108736 KJPGNYBEEXIAMV-WFASDCNBSA-N 307.394 -0.449 30 20 DBED CNC(=O)[C@H](C)N1CCC(CO)(NC(=O)C#CC(C)C)CC1 1755177147 GLVJMGRJPMYPHG-ZDUSSCGKSA-N 309.410 -0.277 30 20 DBED C#CCNC(=O)CNCC1CC(NC(=O)c2nonc2C)C1 1755224289 SHZHNQZVCRZGFP-UHFFFAOYSA-N 305.338 -0.775 30 20 DBED C=CCNC(=O)[C@H](C)N[C@H](CO)CNC(=O)c1cc(C)ncn1 1755626057 YGVYEZDNPHDFCB-RYUDHWBXSA-N 321.381 -0.844 30 20 DBED C#CCCCCC(=O)N(C)C[C@H](O)CN(C)[C@H]1CCNC1=O 1755800260 XZYDPHBBQJKVBQ-KGLIPLIRSA-N 309.410 -0.180 30 20 DBED C#CCCCC(=O)N(C)[C@@H](C)CNC(=O)[C@@H]1CN(C)C(=O)N1 1756054206 JAEPTEIUIOERAA-RYUDHWBXSA-N 308.382 -0.223 30 20 DBED C[C@H](C#N)C(=O)NCCOCCN(C)C(=O)c1csnn1 1756381282 CHIDCDMAYSJOHI-SECBINFHSA-N 311.367 -0.097 30 20 DBED C=CCOCC(=O)N[C@@H]1CCC[C@@H]2CN(C(=O)CC(N)=O)C[C@@H]21 1756618970 IIGSKXAGYMDFKF-FRRDWIJNSA-N 323.393 -0.192 30 20 DBED CN(C[C@H](O)CNC(=O)C#CC1CC1)C(=O)C(=O)C(C)(C)C 1756655949 LFCJHNDQMPYMRP-GFCCVEGCSA-N 308.378 -0.050 30 20 DBED CO[C@@H]1C[C@@H](C(=O)O)CN(S(=O)(=O)N(C)[C@H](C)CC#N)C1 1777159212 MZUKNLGAVPXMTL-GMTAPVOTSA-N 319.383 -0.113 30 20 DBED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCNC(C)C)[C@H]2C1 1786956097 BRBBEOPYYWNWCX-KKUMJFAQSA-N 321.421 -0.013 30 20 DBED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCOC3)C[C@@H]21 1790794831 SMMRABURYIPDKD-CRWXNKLISA-N 306.362 -0.364 30 20 DBED CC(C)[C@@](C)(C#N)NC(=O)COC(=O)CN1C(=O)CN(C)C1=O 7336557 UIDGQEZPWJWOMW-CQSZACIVSA-N 324.337 -0.522 30 20 DBED CCCCn1c(N)c(N(C)CC(=O)NCCC#N)c(=O)[nH]c1=O 11237588 WJDWABOWTABICI-UHFFFAOYSA-N 322.369 -0.615 30 20 DBED C#CCNC(=O)[C@@H](C)OC(=O)c1ccc(S(=O)(=O)NC)cc1 27010231 WMPCMNZEJXCDAF-SNVBAGLBSA-N 324.358 -0.111 30 20 DBED COc1cc(C#N)ccc1CN1CCN2C(=O)C(=O)NC[C@H]2C1 121239333 SVKWZSLSBMZBDW-ZDUSSCGKSA-N 314.345 -0.291 30 20 DBED CN(CCC#N)C(=O)CCN1CCN(CC(=O)NC2CC2)CC1 130923870 XPIPZIHGAUEIEP-UHFFFAOYSA-N 321.425 -0.355 30 20 DBED CCn1cc(C#N)c(=O)n(CCn2cc([N+](=O)[O-])cn2)c1=O 153773433 VFYZPSCPDIJTKB-UHFFFAOYSA-N 304.266 -0.294 30 20 DBED C#CCCN/C(=N/C)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 261806444 SAOVACFGLKNBGA-OAHLLOKOSA-N 305.382 -0.105 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(CCCC(=O)OCC)c1=O 264422008 OJOYCKFGGULPDY-UHFFFAOYSA-N 323.349 -0.113 30 20 DBED C#CCNC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 265426450 SYDBOTRKIJJULC-JTQLQIEISA-N 321.358 -0.564 30 20 DBED C#C[C@@H](C)NC(=O)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C 275908668 GHXQRNMDGICKDD-SECBINFHSA-N 300.318 -0.047 30 20 DBED CN(CC#N)C(=O)[C@](C)(O)CN1C(=O)NC2(CCCC2)C1=O 276672600 ZNWAMGIENOMUNV-CYBMUJFWSA-N 308.338 -0.416 30 20 DBED C=CCCO[C@H](C)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 299272970 KSAVVCZYZSTPDV-GFCCVEGCSA-N 322.369 -0.675 30 20 DBED CC(=O)N1CCN(C(=O)CC/N=C(/O)[C@H]2CC(=O)N(C)C2)CC1 329332138 WLUBYCSMRYVCDD-LBPRGKRZSA-N 324.381 -0.498 30 20 DBED CCN1CCN(/C(O)=N/[C@@H]2CS(=O)(=O)C[C@@H]2C)CC1=O 329746853 SAFXCQJXBJKWSI-VHSXEESVSA-N 303.384 -0.502 30 20 DBED CN1CCO[C@@H](/C(O)=N/CCS(=O)(=O)NCC2CCC2)C1 329807624 OTLXJSTWENNWEQ-GFCCVEGCSA-N 319.427 -0.007 30 20 DBED CC/N=C(/O)N1CCN(C(=O)[C@H]2CCc3nnn(C)c3C2)CC1 330122169 HFPIAIODWVNKRC-NSHDSACASA-N 320.397 -0.002 30 20 DBED COC(=O)[C@H](CO)NS(=O)(=O)CC1(C#N)CCCCC1 330884011 PHXFKINVJPRTBA-JTQLQIEISA-N 304.368 -0.086 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1C[C@H](C)O[C@H](CO)C1 337193097 UJCKGQJZSIVAAV-RYUDHWBXSA-N 321.399 -0.825 30 20 DBED C=CCOCCN[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 339035979 BIVVLFCMKSVLHO-STQMWFEESA-N 304.412 -0.724 30 20 DBED COCC(=O)N(C)CC(=O)Nc1nc2n(c1C#N)CCS2 340379442 NKWPXRWALZJMKK-UHFFFAOYSA-N 309.351 -0.096 30 20 DBED C=C[C@H](CO)NS(=O)(=O)c1c(C)nn(CCN(C)C)c1C 349781988 HJJXCBJMGSCCLP-GFCCVEGCSA-N 316.427 -0.113 30 20 DBED C[C@@H]1CN(S(=O)(=O)N(C)CCC#N)C[C@@H](C)S1(=O)=O 352600619 SSOXYZFCHHWLAA-NXEZZACHSA-N 309.413 -0.416 30 20 DBED N#CCCN(CCC#N)C(=O)CN1C[C@@H]2CCS(=O)(=O)[C@H]2C1 353113521 SXPNOPXBXPTSMM-STQMWFEESA-N 324.406 -0.239 30 20 DBED N#CCNC(=O)CNC(=O)C(=O)Nc1cccc(OCCF)c1 357292596 RATSUYVLNPNCRN-UHFFFAOYSA-N 322.296 -0.271 30 20 DBED CNC(=O)Cn1cc(NS(=O)(=O)c2ccc(C#N)nc2)cn1 357556693 YJZIGQBNOGSJTK-UHFFFAOYSA-N 320.334 -0.303 30 20 DBED N#C[C@H]1CN(C(=O)CN2C(=O)NC3(CCCCC3)C2=O)CCO1 363184029 LLQDCLKNRPZTTK-NSHDSACASA-N 320.349 -0.008 30 20 DBED C=CCSCCNC(=O)N1CCN(C(=O)C(=O)O)CC1 396743275 UXCASMYMEQNJRM-UHFFFAOYSA-N 301.368 -0.156 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)NC[C@H]1CN(C)CCN1C 407974981 HKEKRAASKKMNCY-NEPJUHHUSA-N 303.432 -0.699 30 20 DBED CC#CCNC(=O)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C 440613527 LLRPXDMISYGPNA-UHFFFAOYSA-N 322.328 0.525 30 20 DBED C=CCC[C@@H](O)CN1CCOC[C@H]1C(=O)NCC(=O)OCC 444616545 OOLBMTYRFHRYHU-OLZOCXBDSA-N 314.382 -0.306 30 20 DBED COCCN1CCN([C@@H](C)C(=O)NC2(C#N)CCC2)CC1=O 530336943 RCHMIODWDJAQLG-LBPRGKRZSA-N 308.382 -0.272 30 20 DBED CN(CCCc1[nH]nc(N)c1C#N)c1nc2[nH][nH]cc-2c(=N)n1 546898718 BJDFTTXPKZAGLI-UHFFFAOYSA-N 312.341 -0.037 30 20 DBED C=CCNC(=O)CNC(=O)N1CCS(=O)(=O)[C@H](C)[C@H]1C 561850941 UJSBLLRYHBSJPP-NXEZZACHSA-N 303.384 -0.494 30 20 DBED C[C@H]1C[C@@H](C)[C@@H](CN)CN1c1c(C#N)c(=O)n(C)c(=O)n1C 596014892 VWXRBNKTXXVUPD-VWYCJHECSA-N 305.382 -0.235 30 20 DBED N#CCCN1CCN(C(=O)C(=O)N[C@@H]2CCC[C@H]2CCO)CC1 602275079 YHYJXSUFKIRLNM-UONOGXRCSA-N 322.409 -0.288 30 20 DBED CC(C)C[C@@H](C#N)NC(=O)CN1CCN(S(C)(=O)=O)CC1 610738414 LXSXLXKWYLWLGQ-LBPRGKRZSA-N 316.427 -0.382 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C)C2(CO)CC2)C1=O 617906187 QXHLWNUBNNRLTE-SECBINFHSA-N 309.322 -0.760 30 20 DBED N#Cc1cnn(CCOC(=O)CCC(=O)N2CCOCC2)c1N 731772997 GNQCCXIWZPNUJF-UHFFFAOYSA-N 321.337 -0.481 30 20 DBED CC(=NNC(=S)NCC(N)=O)c1ccc(-n2cncn2)cc1 731930240 SDJUFZNDLGWMTQ-UHFFFAOYSA-N 317.378 -0.059 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)c1cccc(CS(N)(=O)=O)c1 748971591 WUTCHTMZPATMDH-JTQLQIEISA-N 324.358 -0.230 30 20 DBED O=C(C#Cc1ccc2c(c1)OCO2)OCC(=O)N1CCNC1=O 761227590 YSFOSEUCUATJQQ-UHFFFAOYSA-N 316.269 -0.138 30 20 DBED N#CCCNC(=O)COC(=O)c1cnc2c(c1)NC(=O)CO2 771093062 QZXHNEOYACHJHJ-UHFFFAOYSA-N 304.262 -0.401 30 20 DBED C=C(CO)C(=O)NC[C@@H](Cc1ccccc1)NC(=O)C(=C)CO 791334005 UJQOFTCKDWLOQO-OAHLLOKOSA-N 318.373 -0.073 30 20 DBED N#Cc1ccc(S(=O)(=O)NC2CCN(CC(N)=O)CC2)o1 804944160 MAVANISNFYASTN-UHFFFAOYSA-N 312.351 -0.621 30 20 DBED C#C[C@@H](CCC)NC(=O)N1CCN(CC(=O)NCCOC)CC1 820640957 SAUFWFKGPWPEFX-AWEZNQCLSA-N 324.425 -0.122 30 20 DBED N#Cc1cc(-c2nn[nH]n2)c(N)nc1S[C@@H]1CCNC1=O 822818648 FBVBWSMIHMJIET-SSDOTTSWSA-N 302.323 -0.304 30 20 DBED C#CCCCCNC(=O)C(=O)NCC1(C(=O)O)CCOCC1 843256966 JGNSBIMRSVODQE-UHFFFAOYSA-N 310.350 -0.096 30 20 DBED N#C[C@H](C(=O)Cn1nc2n(c1=O)CCCC2)C(=O)NC1CC1 845443012 SJESLFSPTDHPJT-SNVBAGLBSA-N 303.322 -0.631 30 20 DBED C=C(C)CONC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 846537363 INIGKPGAJAWJQR-WDEREUQCSA-N 316.379 -0.354 30 20 DBED C=C[C@H](C)ONC(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1 846547567 PAXKWNYFPGYRCA-IUCAKERBSA-N 302.356 -0.291 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@@H]1CCCS1(=O)=O 848857811 CNKDADPZHZUWCO-BDAKNGLRSA-N 318.351 -0.493 30 20 DBED C#CCN(CC(=O)N1C[C@@H](O)[C@H](CO)C1)C(=O)OC(C)(C)C 854910071 NYNZILUUZCESOO-NWDGAFQWSA-N 312.366 -0.332 30 20 DBED C#CC1(O)CN(C(=O)[C@H]2CC(=O)N(C[C@H]3CCCN3CC)C2)C1 890522406 GUPPSSLZNPLBQW-UONOGXRCSA-N 319.405 -0.474 30 20 DBED CN1CCN(C(=O)C(=O)N2CCN(CCC#N)CC2)CC1(C)C 910767547 TYZISYIVNYRTML-UHFFFAOYSA-N 321.425 -0.403 30 20 DBED C#CCN1CC[C@@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)[C@H](C)C1 944651081 CVRFYXSVQSPWDT-VXGBXAGGSA-N 320.393 -0.223 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CN2CCN(C)C(=O)C2)C[C@H]1C 947463792 MDQCKMFGLPOUDU-HUUCEWRRSA-N 320.437 -0.247 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]1CNC(=O)c1ccc2nn[nH]c2n1 950552580 GYGXZXYFBWLJEE-BDAKNGLRSA-N 313.321 -0.157 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CCCN(C(=O)C(N)=O)C2)cn1 951853868 JTBYGAZPBFOBGK-GFCCVEGCSA-N 300.318 -0.731 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@]3(CCN(C(=O)C(N)=O)C3)C2)[nH]1 953152450 KXGWITUNRIMLQA-HNNXBMFYSA-N 315.333 -0.564 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@](C)(NC(=O)c2c[nH]c(C(N)=O)c2)C1 956954691 ZGFCZJVUBFTDFJ-PSLIRLAXSA-N 317.349 -0.006 30 20 DBED Cc1nc(O)c(C(=O)NC[C@@H]2CN(CC#N)C[C@H]2O)nc1C 958179126 IDPFYOZVXSNIAN-GHMZBOCLSA-N 305.338 -0.655 30 20 DBED C#CCOc1ncccc1C(=O)NC[C@@H]1CN(CC#N)C[C@@H]1O 958595454 ROXHWJCRLBJQME-OCCSQVGLSA-N 314.345 -0.360 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2ccc(=O)n(CCC)n2)C1 958661407 JSMFALWFTDNJPG-GXTWGEPZSA-N 318.377 -0.691 30 20 DBED C#CCCN1C[C@H](CNC(=O)c2cc(C(N)=O)cs2)[C@@H](O)C1 958727485 GBJNICDIHIUDFR-RYUDHWBXSA-N 321.402 -0.107 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cnccn1 959946744 JGZDUXIGUNUECR-WCFLWFBJSA-N 315.333 -0.312 30 20 DBED C#CCN1C[C@H]2C(NC(=O)c3ccn(CCN(C)C)n3)[C@@H]2C1 959951617 IXBALIOTOXUKFM-CHWSQXEVSA-N 301.394 -0.262 30 20 DBED Cc1cc(C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2O)n(C)n1 961784256 GEERHVZGSKDNTH-OCCSQVGLSA-N 316.361 -0.557 30 20 DBED Cc1nnc2n1C[C@H](C(=O)NC1[C@@H]3CN(CC#N)C[C@@H]13)CC2 962722060 QBHUTSSSYDGGEI-IJLUTSLNSA-N 300.366 -0.281 30 20 DBED N#Cc1c[nH]c(C(=O)N2C[C@@H]3CCCN(C(=O)C(N)=O)[C@@H]3C2)c1 963829452 SSXJEOLESXNCSZ-CMPLNLGQSA-N 315.333 -0.565 30 20 DBED COc1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)sn1 964614121 YIYBAGPNKVEKDF-YIZRAAEISA-N 324.362 -0.387 30 20 DBED C#Cc1ccc(C(=O)N[C@H](C)C2CN([C@H](C)C(N)=O)C2)cn1 970753911 NOIGLBVLITWNQF-GHMZBOCLSA-N 300.362 -0.013 30 20 DBED CN(CC#N)[C@@H]1CCN(C(=O)[C@H]2CCc3nnn(C)c3C2)C1 972178381 AAEBPXDDBLOTHE-NWDGAFQWSA-N 302.382 -0.024 30 20 DBED C=CCN(C)[C@H]1CCN(C(=O)C2CC3(C2)NC(=O)NC3=O)C1 972532425 FDLBVETWAIJWAE-VTWZXRTESA-N 306.366 -0.307 30 20 DBED Cn1cc(C(=O)N[C@H]2C[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)nn1 974045339 UYEOTOZWILSFTM-AOOOYVTPSA-N 313.321 -0.294 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)c3ccc(=O)n(C)c3)[C@H]2C1 976802580 HNTKBWOMEAPKBA-WUWHUORYSA-N 314.345 -0.268 30 20 DBED C[C@H](NCc1ccccc1C#N)[C@@H]1CN(C(=O)C(N)=O)CCO1 979359720 NPFDTXMFNLOJJY-FZMZJTMJSA-N 316.361 -0.251 30 20 DBED CC#CCN1C[C@@]2(C)CN(C(=O)Cn3ncnn3)C[C@@]2(C)C1 982281074 MCRINTROQQEMJI-GASCZTMLSA-N 302.382 -0.133 30 20 DBED C#Cc1cncc(C(=O)N[C@H]2CCN(C(=O)C(N)=O)[C@@H]2CC)c1 985436967 SZWNSVVJQYJHFV-QWHCGFSZSA-N 314.345 -0.343 30 20 DBED C=CCn1cc(C(=O)NC2CN(C(=O)c3cc(C)[nH]n3)C2)nn1 991673773 OTHWOLGSIDKZQD-UHFFFAOYSA-N 315.337 -0.250 30 20 DBED N#CCN1CC[C@]2(NC(=O)c3cn(CC(N)=O)nn3)CCC[C@H]12 992533984 ZJTYGRDFKAETHP-SMDDNHRTSA-N 317.353 -0.986 30 20 DBED C#CCN[C@@H]1CCC[C@@H]2CN(C(=O)c3nnc(O)nc3O)C[C@H]21 992747663 XHNQAPZFEBQILZ-GMTAPVOTSA-N 317.349 -0.254 30 20 DBED C[C@@H](C#N)C(=O)N1CCCC2(CN(C(=O)Cn3nccn3)C2)C1 1010675788 VTQRSHWFNHEDNH-LBPRGKRZSA-N 316.365 -0.111 30 20 DBED C[C@H]1[C@H](NC(=O)Cn2cnnn2)CCN1C(=O)C#CC1CC1 1011738040 CPRUUNHVJDSQBZ-CMPLNLGQSA-N 302.338 -0.808 30 20 DBED C[C@@H]1C[C@H](NC(=O)c2cnn(C)n2)CN1C(=O)C#CC1CC1 1012579984 AUVQWKRBMUKLHF-PWSUYJOCSA-N 301.350 -0.052 30 20 DBED C[C@@H]1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)CN1C(=O)CC(N)=O 1018090772 APVHDXJPRUXETN-MWLCHTKSSA-N 317.349 -0.129 30 20 DBED C=C(Cl)CN[C@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1 1019527531 HLJKAQGECYBZRU-VIFPVBQESA-N 300.746 -0.519 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H](N[C@@H]2CCNC2=O)C1 1020250867 VFWLMTOUZKIJJH-SYQHCUMBSA-N 304.394 -0.791 30 20 DBED C[C@H]1[C@@H](NC(=O)CN2CCCC2=O)CCN1C(=O)[C@H](C)C#N 1020534342 KNQUMCINXDFLQF-WOPDTQHZSA-N 306.366 -0.126 30 20 DBED C=C(Cl)CN[C@H]1C[C@H](NC(=O)CN2C(=O)CNC2=O)C1 1021024061 VGBWNSMVAPXBFI-KYZUINATSA-N 300.746 -0.473 30 20 DBED C#CCN1CC[C@@H]2[C@H](CCCN2C(=O)C2CS(=O)(=O)C2)C1 1021597688 PYSNFEZKKFGQIF-TZMCWYRMSA-N 310.419 -0.023 30 20 DBED N#Cc1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccc[nH]3)C2)[nH]1 1023041101 UAKOPBHMWSEKDB-CHWSQXEVSA-N 313.317 -0.170 30 20 DBED COc1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2O)ccn1 1024533311 OHCJZJZNWQTRGU-MVWJERBFSA-N 318.333 -0.449 30 20 DBED CN(CC#N)[C@@H]1CCCN(C(=O)[C@@H]2CCc3nnc(O)n3C2)C1 1027470324 KZDQZJOGFLTNIQ-VXGBXAGGSA-N 318.381 -0.008 30 20 DBED N#Cc1cc(C(=O)NC[C@H]2CCCN2[C@H]2CCNC2=O)c[nH]1 1027833250 OVCIPSBPSMYSQL-OLZOCXBDSA-N 301.350 -0.031 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)[C@H]3CCCC(=O)N3)C2)C1=O 1030492326 PLJGXZRYJQUOTB-OLZOCXBDSA-N 320.393 -0.758 30 20 DBED C#CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)CN1C(=O)NC(C)(C)C1=O 1037700658 DHNFRSJXKGPYAF-SCVCMEIPSA-N 304.350 -0.861 30 20 DBED C#CCN1CCC(C(=O)NC[C@@H]2CCN2[C@H](C)C(=O)NC)CC1 1039042213 NPHGFDHWPNTROL-HIFRSBDPSA-N 320.437 -0.343 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@]1(O)CCN(C(=O)c2cnco2)C1 1039724595 AJDURBZYDGJREX-XHDPSFHLSA-N 321.333 -0.594 30 20 DBED O=C(NC[C@@]1(O)CCN(C(=O)C#CC2CC2)C1)[C@H]1CCOC1 1040050292 QYZJWGOCRQDLQZ-BBRMVZONSA-N 306.362 -0.484 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)CCn2ccnc2)C1 1040397364 STJCAYAMWJWLJW-IUODEOHRSA-N 319.365 -0.488 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@](O)(CNC(=O)C2(C(N)=O)CC2)C1 1040742282 PLUCIQAQOUQJSN-HNNXBMFYSA-N 323.393 -0.456 30 20 DBED Cc1cccc(C(=O)NCC2(O)CN(C(=O)[C@@H](C)C#N)C2)n1 1041517891 UFGQERPWHYNGTE-JTQLQIEISA-N 302.334 -0.147 30 20 DBED Cc1cc(C(=O)N2CC(O)(CNC(=O)CSCC#N)C2)no1 1041569316 SSCRVSGFTLQMCR-UHFFFAOYSA-N 324.362 -0.457 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2ncoc2C)C1 1041818625 RCIYXISTAGJZRH-NSHDSACASA-N 323.349 -0.123 30 20 DBED C[C@H](OCC1CC1)C(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1041853701 GGRLTWPINNQALL-LBPRGKRZSA-N 320.389 -0.096 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)[C@H](C)S(C)(=O)=O)C1 1041973056 PSJSRYOEIIPCNH-JTQLQIEISA-N 318.395 -0.925 30 20 DBED C#CCN1CC[C@@H]2CCN(C(=O)CCn3ncn(C)c3=O)C[C@H]21 1042162996 NDJGQQIWSQICJP-ZIAGYGMSSA-N 317.393 -0.472 30 20 DBED N#Cc1c[nH]c(C(=O)NCC2(O)CN(C(=O)c3cc[nH]n3)C2)c1 1042401161 LBKDECQJFWTWJS-UHFFFAOYSA-N 314.305 -0.774 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(O)CN(C(=O)c2conc2C)C1 1042811185 HCHQXUKEYASLCB-AWEZNQCLSA-N 323.349 -0.387 30 20 DBED C[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1N=c1cc[nH]cc1C#N 1043449196 ZACUOHOMDFBZRH-BXKDBHETSA-N 312.337 -0.529 30 20 DBED Cn1ccc(C(=O)N[C@@H]2CN(c3cncc(C#N)n3)C[C@@H]2O)n1 1043971555 JQTHGNQAWZZZNY-NEPJUHHUSA-N 313.321 -0.939 30 20 DBED C=C1CC(C)(C(=O)N2CC(O)(CNC(=O)[C@@H]3CCC(=O)N3)C2)C1 1044266042 UJXWMKVCOXPHOK-NSHDSACASA-N 321.377 -0.689 30 20 DBED Cc1n[nH]cc1C(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1044345411 GCZRYTNMVVTRNY-UHFFFAOYSA-N 302.334 -0.565 30 20 DBED C[C@@H]1C[C@@H](NCC#N)CCN1C(=O)CN1C(=O)NC(=O)C1(C)C 1044810525 VDYCLDBQHWKOOJ-MNOVXSKESA-N 321.381 -0.191 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCO[C@H]2C)C1 1045287330 UQNFZKPEGAQUCX-QWHCGFSZSA-N 324.377 -0.859 30 20 DBED Cc1conc1C(=O)NCC1(O)CN(C(=O)C#CC(C)C)C1 1046559635 BVSGMFVJUNJOIR-UHFFFAOYSA-N 305.334 -0.054 30 20 DBED C#CCN1C[C@H]2C[C@H](NC(=O)c3cn(C)c(=O)nc3O)C[C@H]1C2 1047199665 BVNRBXWRDDRETO-SDDRHHMPSA-N 316.361 -0.298 30 20 DBED C[C@@H](C(N)=O)N1C[C@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2C1 1048778878 JLBYIPBLJXFPPX-ZMLRMANQSA-N 301.350 -0.236 30 20 DBED C=CCCN1C[C@H]2CN(C(=O)c3nnc(O)nc3O)C[C@H]2C1 1048918760 DPZAIWHQPDVQBN-AOOOYVTPSA-N 305.338 -0.137 30 20 DBED C=CCN1CCOC[C@H]1CNC(=O)[C@H]1CCc2nnnn2CC1 1051124603 JCEOCFFGLIOFMX-QWHCGFSZSA-N 320.397 -0.371 30 20 DBED C#CCN1CCN([C@@H]2CCN(C(=O)Cc3cncnc3)C2)CC1 1052020017 DJQXVRIJRAJAIS-MRXNPFEDSA-N 313.405 -0.129 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)[C@H]1CCCCC(=O)N1)CCO2 1053421513 LBZUJHLTEVZMFX-CQSZACIVSA-N 319.405 -0.018 30 20 DBED CC(C)(C(=O)N1CCOC2(CN(CC#N)C2)C1)N1CCOCC1 1053472636 NKSQDSJCDCNICY-UHFFFAOYSA-N 322.409 -0.466 30 20 DBED C=CCCN1CC2(C[C@@H](NC(=O)CN3C(=O)CNC3=O)CO2)C1 1054003219 PVAHQJCMSASGAC-LLVKDONJSA-N 322.365 -0.926 30 20 DBED C=CCOCC(=O)N1CCC[C@@](CO)(NC(=O)c2cc[nH]n2)C1 1055787166 CLKMERWDMXUCGT-OAHLLOKOSA-N 322.365 -0.304 30 20 DBED N#Cc1cncc(N2C[C@H]3C(NC(=O)C4=COCCO4)[C@@H]3C2)n1 1056099392 FIWIIFWZJJYUBG-GHMZBOCLSA-N 313.317 -0.213 30 20 DBED N#Cc1cnccc1N1C[C@H]2C(NC(=O)[C@@H]3CCC(=O)N3)[C@@H]2C1 1056263663 QLXIGKQLXHFFGM-UTUOFQBUSA-N 311.345 -0.217 30 20 DBED CCn1cc(C(=O)NCCN(CCO)C(=O)C#CC2CC2)nn1 1057533212 KQBNULXFBSMSEC-UHFFFAOYSA-N 319.365 -0.738 30 20 DBED C#CCOCCC(=O)N(CCO)CCNC(=O)[C@@H](CC)OC 1057581099 LPUDXNMKBWRJAS-CYBMUJFWSA-N 314.382 -0.612 30 20 DBED C#CCO[C@H](C)C(=O)N(CCO)CCNC(=O)c1ocnc1C 1057583209 KBELNYIYGHJQPY-GFCCVEGCSA-N 323.349 -0.428 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)CCCn1ccnc1 1057984363 UWQZMMQBVFEIKL-CYBMUJFWSA-N 321.381 -0.240 30 20 DBED C=C1CC(C)(C(=O)NCCN(CCO)C(=O)c2cnn(C)n2)C1 1058094636 QUEUBYGIZWGEHK-UHFFFAOYSA-N 321.381 -0.278 30 20 DBED N#Cc1ccc(N2CCC[C@@H](NC(=O)[C@@H]3CNC(=O)N3)C2)nc1 1058231969 XYFGXXYFIPBANN-NEPJUHHUSA-N 314.349 -0.280 30 20 DBED N#Cc1cncc(N2CC[C@H](NC(=O)[C@H]3CCNC(=O)C3)C2)n1 1058336272 RPKPAMKNJDQZKF-QWRGUYRKSA-N 314.349 -0.431 30 20 DBED C=C[C@@H](C)[C@H](C)C(=O)N(CCO)CCNC(=O)c1cnnn1C 1058435399 JTGZBRUOPLJWSC-NEPJUHHUSA-N 323.397 -0.176 30 20 DBED N#CCSCC(=O)NCCN(CCO)C(=O)c1ccncn1 1058501878 IKRNTAWXBIWHDP-UHFFFAOYSA-N 323.378 -0.716 30 20 DBED C=CCCOCC(=O)NCCN(CCO)C(=O)c1cnon1 1058513634 IYAHJUWOEDQHNA-UHFFFAOYSA-N 312.326 -0.787 30 20 DBED C=C[C@@](C)(CC)C(=O)N(CCO)CCNC(=O)Cn1ncnn1 1058727792 BGKRHJUISKANGH-AWEZNQCLSA-N 324.385 -0.788 30 20 DBED N#Cc1cncc(N[C@H]2CCN(C(=O)C3(C(N)=O)CC3)C2)n1 1059039824 YQTBVIPQUPFNRM-VIFPVBQESA-N 300.322 -0.373 30 20 DBED C[C@@]1(C(=O)N2CC[C@H](N=c3cc[nH]c(C#N)n3)C2)CCC(=O)N1 1059053604 UZZKKXMVAZJLPM-BONVTDFDSA-N 314.349 -0.548 30 20 DBED C=CCOCC(=O)NCC[C@@H]1CCN(C(=O)CC(=O)NC)C1 1059523825 WJYHIZYPGKUTFF-GFCCVEGCSA-N 311.382 -0.320 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@H](CCNC(=O)CNC(C)=O)C1 1059646609 UTSMXBFVEANIKS-JSGCOSHPSA-N 323.393 -0.484 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](CCNC(=O)CCn2cnnn2)C1 1060285818 DYNDMMRHVRCJNZ-VXGBXAGGSA-N 319.369 -0.422 30 20 DBED C=CCO[C@H](C)C(=O)NC[C@@H]1COCCN1C(=O)CCOC 1061668529 RRZPTMGSWQHMHW-CHWSQXEVSA-N 314.382 -0.042 30 20 DBED N#Cc1nccnc1N1CC[C@@H](CNC(=O)[C@H]2CCNC2=O)C1 1061695643 UIIWJQDNSKHPBN-QWRGUYRKSA-N 314.349 -0.573 30 20 DBED N#Cc1cnc(N2C[C@@H]3C[C@H]2CN3C(=O)CC(N)=O)c(F)c1 1062462837 QDBWXNPZDVXNMQ-UWVGGRQHSA-N 303.297 -0.243 30 20 DBED Cc1nc(N2C[C@@H]3C[C@H]2CN3C(=O)c2nnn(C)n2)ccc1C#N 1062560975 WCTLUHSARYRZRS-RYUDHWBXSA-N 324.348 -0.112 30 20 DBED CN(C(=O)[C@@H]1CNC(=O)N1)[C@H]1CCN(c2ccc(C#N)cn2)C1 1063024920 KYLOLALGJRBKNL-RYUDHWBXSA-N 314.349 -0.328 30 20 DBED N#Cc1cnc(NC[C@H]2CCCN2C(=O)[C@@H]2COC(=O)N2)cn1 1063478446 CJAHHDFVZXBJQF-MNOVXSKESA-N 316.321 -0.140 30 20 DBED N#Cc1nccc(N2CC[C@H]3CN(C(=O)CC(N)=O)CC[C@H]32)n1 1063999863 QNFNTZWTABYPHB-WDEREUQCSA-N 314.349 -0.349 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H]1CN(C(=O)/C(C)=C/C)CCO1 1065027379 KUUTUSIJJKBTIZ-YFTXEMMHSA-N 321.377 -0.564 30 20 DBED Cc1c[nH]nc1C(=O)N1CCO[C@H](CNC(=O)[C@H](C)C#N)C1 1065133151 PCKMMAIPGJKPFM-MWLCHTKSSA-N 305.338 -0.165 30 20 DBED C=C(C)CCC(=O)N1CC[C@@H](N2CCN(C(=O)C(N)=O)CC2)C1 1065706320 JFDOWFIUAVDJIU-CYBMUJFWSA-N 322.409 -0.427 30 20 DBED C[C@H]1CN(C(=O)C2=COCCO2)C[C@@H]1N=c1cc[nH]c(C#N)n1 1067039283 DVRLHUNTKATFJZ-QWRGUYRKSA-N 315.333 -0.083 30 20 DBED CCN(CC1CCN(C(=O)C(N)=O)CC1)c1cnc(C#N)cn1 1067637844 NCNDKEXSYFBGPV-UHFFFAOYSA-N 316.365 -0.102 30 20 DBED N#Cc1cnc(N2C[C@H](CNC(=O)c3ccncc3)[C@@H](O)C2)cn1 1067642753 JXVDWRAPNFFSJZ-JSGCOSHPSA-N 324.344 -0.030 30 20 DBED C=C(C)C[C@H](C)C(=O)N[C@@H]1COC2(C1)CN(C(=O)CC(N)=O)C2 1068975539 JXNZLUXZTCETDZ-RYUDHWBXSA-N 323.393 -0.050 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(C[C@H](NC(=O)CCCN(C)C)CO2)C1 1068988680 HFPSKIDTFDIGSN-STQMWFEESA-N 322.409 -0.026 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1COC2(C1)CN(C(=O)c1cnns1)C2 1069004039 SABIJWDQRPHVJC-BDAKNGLRSA-N 321.362 -0.203 30 20 DBED N#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)Cc2cnoc2)C1 1070006294 OJMCZAFZEVRHPR-NEPJUHHUSA-N 301.310 -0.626 30 20 DBED C=CCOCC(=O)N1CCC[C@@H](NC(=O)[C@@H]2CCCNC2=O)C1 1070552570 YCWJGMHRKQSUNJ-CHWSQXEVSA-N 323.393 -0.178 30 20 DBED C=C(C)CN1C[C@H]2C[C@@H]3CN(C(=O)[C@H]4C[C@H]4C(N)=O)C[C@@]3(C1)O2 1070855311 ITEAIBOWQHFFPF-MNLSVMLLSA-N 319.405 -0.014 30 20 DBED COC[C@H](C)N1CCNC(=O)CCN(C(=O)[C@H](C)C#N)CC1 1070948150 APXZPVSTVFTBCT-OLZOCXBDSA-N 310.398 -0.169 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)c2cccc(O)n2)CC1 1070950081 KROYTWVANBGFSR-UHFFFAOYSA-N 316.361 -0.316 30 20 DBED Cc1nocc1C(=O)N1CCC(=O)NCCN(CC#N)CC1 1070995228 WZKUUCHJHFZIBH-UHFFFAOYSA-N 305.338 -0.229 30 20 DBED CC#CCN1C[C@H](NC(=O)Cn2ccc(O)nc2=O)CC[C@@H]1C 1071657645 AYHCYOXLECIZPS-QWHCGFSZSA-N 318.377 -0.059 30 20 DBED C#CCCCCC(=O)N1C[C@@H](NC(=O)Cn2ncnn2)[C@H](C)C1 1071929303 NXDOQFURQCCVGZ-CHWSQXEVSA-N 318.381 -0.170 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H](C)[C@H](NC(=O)C#CC(C)C)C1 1071936585 REFCZROZLQKLMG-UONOGXRCSA-N 317.389 -0.252 30 20 DBED C[C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1NC(=O)C#CC1CC1 1072006058 HRALOSSBMGGPLP-ZYHUDNBSSA-N 301.350 -0.195 30 20 DBED C[C@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1NC(=O)C#CC(C)(C)C 1072166127 XLSAUOOEOMGORL-RYUDHWBXSA-N 318.381 -0.314 30 20 DBED CC(C)N1C[C@H](C(=O)NC[C@H]2CN(CC#N)CCCO2)CC1=O 1073623868 UNZYGUFFJYWJEC-KGLIPLIRSA-N 322.409 -0.026 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)CN3CCCC3=O)C[C@H]21 1074159696 JDTUHZBMJAEWEL-ZIAGYGMSSA-N 305.378 -0.456 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCC(O)(CNC(=O)COC)CC1 1074566349 ISYFQKBDDWHOQS-AWEZNQCLSA-N 314.382 -0.570 30 20 DBED C=CCOCC(=O)N1CC[C@@H](NC(=O)CNC(N)=O)C[C@H]1C 1074819395 SLYIOTONBQMDCB-GHMZBOCLSA-N 312.370 -0.647 30 20 DBED N#CCN1C[C@@H]2CCN(C(=O)c3ccoc3CC(N)=O)[C@@H]2C1 1076183833 WRKGAKATJKBSQR-CMPLNLGQSA-N 302.334 -0.023 30 20 DBED COC(=O)NCC(=O)N[C@@H](C)CCNC(=O)c1c[nH]c(C#N)c1 1076215396 DRTIVQCVQONODP-VIFPVBQESA-N 321.337 -0.133 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H](C)CCNC(=O)c1ncn(C)n1 1076374082 WVFXFDSCSOCIDX-HZMBPMFUSA-N 309.370 -0.233 30 20 DBED CC(C)C#CC(=O)NCC[C@H](C)NC(=O)CS(C)(=O)=O 1076408096 GOVAWCQCGYCRIQ-NSHDSACASA-N 302.396 -0.299 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)c2cnc(O)cc2OC)C1 1077695062 VKVGBJQUIREBHG-VXGBXAGGSA-N 305.334 -0.406 30 20 DBED N#CCN[C@H]1C[C@H](NC(=O)CN2CCOCC2=O)C12CCC2 1078648389 ZBSGNHZZNCHGRQ-RYUDHWBXSA-N 306.366 -0.614 30 20 DBED C=C[C@](C)(O)CC(=O)N(CC)C1CN(C(=O)CNC(N)=O)C1 1079684972 VTZBVAHPYHQLJH-AWEZNQCLSA-N 312.370 -0.959 30 20 DBED CCN(C(=O)C#CC(C)C)C1CN(C(=O)c2nnn(C)n2)C1 1079732896 PKJGLZHLDQOEGJ-UHFFFAOYSA-N 304.354 -0.458 30 20 DBED COCC(=O)NC[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1O 1081179600 ZXOMDDLECIXINK-ZYHUDNBSSA-N 306.322 -0.918 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCc3nnn(C)c3C2)C1 1083730136 PIRPGBIINWFMIY-SUHUHFCYSA-N 305.382 -0.733 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)Cn2c(C)c(C)sc2=O)C1 1084090900 NOLFTNHKRPUWRL-OLZOCXBDSA-N 323.418 -0.289 30 20 DBED C#CCCN1CC[C@@H]2CN(C(=O)CC[C@@H]3NC(=O)NC3=O)[C@@H]2C1 1084819752 PHTTXJIFIKOYPX-FRRDWIJNSA-N 318.377 -0.469 30 20 DBED C=CCn1cc(C(=O)N(C)C[C@H]2CCN2CC(=O)N(C)C)nn1 1085860590 CPMPBRJZPWAWKB-GFCCVEGCSA-N 320.397 -0.301 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@@]23COC[C@@H]2C3)C[C@H]1c1cnn(C)c1 1086979960 BXYDSMVSRHHHOM-MPTYRVRUSA-N 314.389 -0.026 30 20 DBED Cn1cc(C(=O)N[C@H]2CCN(CC#N)C[C@H]2O)c(C2CC2)n1 1090301188 OTPDBRWLAMYQIZ-QWHCGFSZSA-N 303.366 -0.014 30 20 DBED Cn1nnc2ccc(C(=O)N[C@H]3CCN(CC#N)C[C@@H]3O)cc21 1090759118 DDVLNUIGRJFMJP-JSGCOSHPSA-N 314.349 -0.343 30 20 DBED N#Cc1cccnc1N[C@H]1C[C@@H](CNC(=O)Cn2ncnn2)C1 1091372137 VMVBJLMVVZCXQU-KLPPZKSPSA-N 312.337 -0.053 30 20 DBED Cc1nsc(NCCNC(=O)C2CC(=O)NC(=O)C2)c1C#N 1093741797 UWEHSGPZBMXZGE-UHFFFAOYSA-N 321.362 -0.096 30 20 DBED N#Cc1nccnc1NCCNC(=O)C[C@H]1CCCS1(=O)=O 1094011270 CSZJQBZNACZRGU-SNVBAGLBSA-N 323.378 -0.156 30 20 DBED N#CCN1CC(n2cc(CNC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)nn2)C1 1094321439 LZFHVOJVEARGKC-MCIONIFRSA-N 316.365 -0.158 30 20 DBED C#CCCN1CC(N2C[C@@H](NC(=O)c3cnccn3)CC2=O)C1 1094698717 JLEPZBBPHCDRPL-LBPRGKRZSA-N 313.361 -0.485 30 20 DBED CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NCCCNc1cnc(C#N)cn1 1094785872 OPJMWQQHRQOZJX-NWDGAFQWSA-N 316.365 -0.009 30 20 DBED N#CCN1CC(N2C[C@H](NC(=O)Cc3ccc[nH]3)CC2=O)C1 1094818374 ANKKYGWLTALUMJ-GFCCVEGCSA-N 301.350 -0.518 30 20 DBED Cn1cc(C(=O)NCCCNc2cncc(C#N)n2)ncc1=O 1094903506 VIEBPJVVWQKUFH-UHFFFAOYSA-N 313.321 -0.326 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1CCCN(C(=O)CNC(N)=O)C1 1095274748 SIDREJIHZXHGIQ-NSHDSACASA-N 302.338 -0.554 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NC 1095555535 RPZVMYFXEWBRPG-QPSCCSFWSA-N 318.421 -0.449 30 20 DBED CN(C)C(=O)CC(=O)NC[C@H](N=c1cc[nH]c(C#N)n1)C1CC1 1096827270 GFHRIYOGPSWSRQ-NSHDSACASA-N 316.365 -0.445 30 20 DBED C[C@H](NC(=O)C(N)=O)[C@H]1CCCN(c2cncc(C#N)n2)C1 1097548193 RJYDXPWEMAJTBL-UWVGGRQHSA-N 302.338 -0.445 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCN(C)C1=O)N=c1cc[nH]cc1C#N 1098193319 CEBYQLZKGGOTDB-CMPLNLGQSA-N 301.350 -0.230 30 20 DBED C[C@H](CNC(=O)COc1cnn(C)c1)N=c1cc[nH]c(C#N)n1 1098254598 RDPURBMYUUUEGG-SNVBAGLBSA-N 315.337 -0.501 30 20 DBED CC#CCN(CCO)C1CCN(C(=O)C2CN(C(C)=O)C2)CC1 1098354778 BHQFMOCJUGKZQH-UHFFFAOYSA-N 321.421 -0.227 30 20 DBED C#CCCN(CCO)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1098365387 MDGGJMFUOQOFLM-ZIAGYGMSSA-N 309.366 -0.040 30 20 DBED C=CCOCC(=O)N1C[C@H]2CC[C@H]1[C@@H]1CN(CC(N)=O)C[C@H]21 1099447123 ZVSYCRSGPHECEL-SYQHCUMBSA-N 307.394 -0.157 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2cnn(C)c2C)[C@H](O)C1 1099663957 WNQSSPORKHIHIB-HUUCEWRRSA-N 320.393 -0.457 30 20 DBED CC/C(C)=C/C(=O)N[C@@H]1CCN(CC(=O)NCC#N)C[C@@H]1O 1099818090 JXOMYDMPQJVEFU-GTMNMCRUSA-N 308.382 -0.466 30 20 DBED N#CCN1CC[C@@H](NC(=O)CCc2nc(C3CC3)no2)[C@H](O)C1 1100027708 VVSZXNRHWHEBEA-VXGBXAGGSA-N 319.365 -0.045 30 20 DBED CN(CCNC(=O)[C@H]1COCCN1C)c1ccnc(C#N)n1 1100028131 HBMZSNDNHCDEMK-LLVKDONJSA-N 304.354 -0.769 30 20 DBED C#CCNC(=O)CC(=O)NCCN(C)c1nc(C)cc(C)n1 1100037620 JGUYRQRQMUTVFI-UHFFFAOYSA-N 303.366 -0.215 30 20 DBED CN(CCNC(=O)c1ccc2nnnn2c1)c1nccnc1C#N 1100230161 VYVWBTWMQQSSSD-UHFFFAOYSA-N 323.320 -0.348 30 20 DBED CN1C[C@@H](C(=O)NCCN(C)c2ccc(C#N)cn2)NC1=O 1100255366 LWZUYMVBLXXRQD-NSHDSACASA-N 302.338 -0.471 30 20 DBED CCN(CCNC(=O)CNC(=O)NC)c1nc(C)cc(C#N)n1 1100750279 PMNSBDGBGMNRLP-UHFFFAOYSA-N 319.369 -0.472 30 20 DBED N#Cc1nccc(N2CC[C@@H](CNC(=O)Cc3nc[nH]n3)C2)n1 1101011246 AKCRVXJHLUCIFR-JTQLQIEISA-N 312.337 -0.348 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H]2CN(C(=O)CCOC)C[C@]2(C)C1 1101105798 GBNTYEPAKOUDHL-CPUCHLNUSA-N 321.421 -0.059 30 20 DBED CN(CCNc1ccc(C#N)nn1)C(=O)[C@@H]1COCCN1C 1101564270 KSSRTWPRHPPQIZ-LBPRGKRZSA-N 304.354 -0.451 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)CC(=O)NCC)c3nccn32)C1 1101624251 QAUOEOYNFRTHPS-LBPRGKRZSA-N 315.377 -0.386 30 20 DBED CCOCCOCC(=O)N(C)CCN=c1cc[nH]c(C#N)n1 1101658838 MLESZPZHUJXDRS-UHFFFAOYSA-N 307.354 -0.306 30 20 DBED C[C@H](CC(N)=O)C(=O)N(C)[C@@H]1CCN(c2nccnc2C#N)C1 1102751970 BPWOIFIQIBAXAN-GHMZBOCLSA-N 316.365 -0.103 30 20 DBED CC[C@@H](CNC(=O)[C@H]1CCC(=O)N1)N=c1cc[nH]cc1C#N 1102992588 XWRKIMAATVPMPY-WCQYABFASA-N 301.350 -0.040 30 20 DBED CC[C@@H](CNC(=O)CCNC(=O)NC)Nc1nccnc1C#N 1103064349 JHKADEGWXIQXGE-JTQLQIEISA-N 319.369 -0.026 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)C1=COCCO1 1103836163 WOIWGUPAEAMDLD-SNVBAGLBSA-N 303.322 -0.177 30 20 DBED C[C@@H](CN=c1cc[nH]cc1C#N)N(C)C(=O)[C@@H]1CCC(=O)N1 1104643007 WSIFMWLWRGZOKE-GWCFXTLKSA-N 301.350 -0.087 30 20 DBED C#CCNCc1cn(C2CN(C(=O)[C@H](C3CC3)N(C)C)C2)nn1 1105259552 DFKZCZHMAXPMQY-HNNXBMFYSA-N 316.409 -0.276 30 20 DBED Cc1nc(C)c(C(=O)N2CC(n3cc(CNCC#N)nn3)C2)[nH]1 1105328522 IOHOETDEVDDPQN-UHFFFAOYSA-N 314.353 -0.072 30 20 DBED CN1CCO[C@H](C(=O)N(C)CCN(C)c2ccnc(C#N)n2)C1 1105355080 CYTWUOBWQJKQQQ-LBPRGKRZSA-N 318.381 -0.427 30 20 DBED CCc1nc[nH]c1C(=O)N1CC(n2cc(CNCC#N)nn2)C1 1105368431 WKNLYBLVTDMFTR-UHFFFAOYSA-N 314.353 -0.126 30 20 DBED CNC(=O)NCCC(=O)N(C)CCN(C)c1nccnc1C#N 1105383585 UYJNZNMASASTRB-UHFFFAOYSA-N 319.369 -0.438 30 20 DBED Cc1cc(C(=O)NC[C@@H](O)CNc2ccc(C#N)nn2)n(C)n1 1105733273 ONXGYARJCMYDMT-NSHDSACASA-N 315.337 -0.407 30 20 DBED N#Cc1cncc(NC[C@@H](O)CNC(=O)c2cccc(O)n2)n1 1105775105 AKKLNDNXVRIZKO-SNVBAGLBSA-N 314.305 -0.348 30 20 DBED CC(C)C#CC(=O)NC[C@H](O)CNc1ncnc2c1ncn2C 1105812590 UGJINNKNOPQBPE-NSHDSACASA-N 316.365 -0.088 30 20 DBED N#Cc1c(F)cccc1NC[C@H](O)CNC(=O)[C@H]1COC(=O)N1 1105835664 RSDTTWSHKFMWHX-QPUJVOFHSA-N 322.296 -0.305 30 20 DBED Cc1nonc1C(=O)NC[C@H](O)CNc1cnc(C#N)cn1 1105884805 RAHRCBAAUHDFKU-SECBINFHSA-N 303.282 -0.758 30 20 DBED C=CCO[C@@H](C)C(=O)NC[C@H](O)CNc1cncc(C#N)n1 1105892219 SGIUGZNXJMSEKN-CMPLNLGQSA-N 305.338 -0.172 30 20 DBED C=CCO[C@@H](C)C(=O)NC[C@H](O)CNc1cc(C)nc(CO)n1 1105892242 SPYUNTLFOKITDX-NWDGAFQWSA-N 324.381 -0.243 30 20 DBED C=CCOCC(=O)N1C[C@@H](C)[C@H](CNCc2nc(O)n[nH]2)C1 1105941876 ODKAODBRGFYNAB-GHMZBOCLSA-N 309.370 -0.103 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)CN2CCOCC2)C[C@H]1C 1106018650 QVGCXWWIQQXUCT-HZPDHXFCSA-N 323.437 -0.348 30 20 DBED CC#CCCCC(=O)NC[C@H](O)CNc1nccn2nnnc12 1106062417 HTHWSZIDWKBDKM-NSHDSACASA-N 317.353 -0.398 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@@H](C)[C@H](CNCC(=O)N(C)C)C1 1106111480 NJJIRTLFUOYWLY-MGPQQGTHSA-N 309.410 -0.203 30 20 DBED C[C@H](CCNc1nccnc1C#N)NC(=O)CS(C)(=O)=O 1106239312 PMPQADAKDIQCDU-SECBINFHSA-N 311.367 -0.300 30 20 DBED C[C@H](CCNc1cnc(C#N)cn1)NC(=O)[C@@H]1CN(C)CCO1 1106293485 HVVZAIGZHRQECO-YPMHNXCESA-N 318.381 -0.014 30 20 DBED C=CCNC[C@@H]1CN(C(=O)CCn2cc[nH]c(=O)c2=O)C[C@H]1C 1106770104 SGSULPAVSNLZKQ-CHWSQXEVSA-N 320.393 -0.203 30 20 DBED COCC#CCN1CCO[C@](C)(CNC(=O)c2cnon2)C1 1108290722 CNYNDJPMUJEQLE-CQSZACIVSA-N 308.338 -0.460 30 20 DBED C#CCN1CCN(C(=O)CCSC)[C@@H]2CS(=O)(=O)C[C@@H]21 1108455327 BTBKGSAUGXIGAK-NWDGAFQWSA-N 316.448 -0.318 30 20 DBED C[C@@H](CC(=O)N[C@@H](C)CN=c1cc[nH]cc1C#N)NC(N)=O 1108528534 MNYQCSBONKCIPO-UWVGGRQHSA-N 304.354 -0.261 30 20 DBED C=CCOCCCC(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1 1108531003 WONGMRMCJYGTDY-CYBMUJFWSA-N 320.393 -0.106 30 20 DBED Cc1nc(NC[C@H](C)NC(=O)Cn2ncnn2)ccc1C#N 1108540126 JFSWKESJABPLPH-VIFPVBQESA-N 300.326 -0.135 30 20 DBED CC(C)C(=O)N(C)CC(=O)N[C@@H](C)CN=c1cc[nH]c(C#N)n1 1108752000 OSSGWDYOOBMRIU-NSHDSACASA-N 318.381 -0.199 30 20 DBED Cc1nc(CC(=O)N[C@H](C)CN(C)c2cnc(C#N)cn2)n[nH]1 1108955410 LUMVXXGJVFXIPL-SECBINFHSA-N 314.353 -0.042 30 20 DBED C[C@@H](CN(C)c1cnc(C#N)cn1)NC(=O)[C@@H]1CC(=O)N(C)C1 1109295792 OAKIDOBXKQUGDR-WDEREUQCSA-N 316.365 -0.233 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H](NC(=O)[C@@H]1COC(=O)N1)C1CC1 1109832386 FRFKPMMLFILLLM-STQMWFEESA-N 315.333 -0.210 30 20 DBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cc1ncc[nH]1 1109881494 WLKKJRLSPUZFMB-WOPDTQHZSA-N 316.365 -0.687 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)N1CCC1 1110546275 SCISMWULFCTUTI-YJNKXOJESA-N 319.405 -0.022 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@]1(O)CCN(c2ncccn2)C1 1111097633 CYWNSLCPMAIPSY-DOMZBBRYSA-N 304.350 -0.428 30 20 DBED Cn1cc(C(=O)N(CCO)CCN=c2cc[nH]cc2C#N)cn1 1111417789 WBPVUWCROOKMFC-UHFFFAOYSA-N 314.349 -0.345 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCC[C@]2(NC(=O)CC(C)(C)O)C1 1111733121 UBBPUNADJWISIU-GUYCJALGSA-N 321.421 -0.133 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)c2cc(C)[nH]n2)CC1 1112650887 PPGQYDQHMWDQHX-LBPRGKRZSA-N 303.366 -0.386 30 20 DBED CCCOCC(=O)NC[C@@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1112709067 DWCJPAWTMKKBEL-NEPJUHHUSA-N 319.365 -0.312 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)[C@H](C)Nc1ccc(C#N)nn1 1112977778 FVKDKKPNZRMQJP-QWRGUYRKSA-N 314.349 -0.207 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)[C@H](C)N=c1cc[nH]c(C#N)n1 1112979094 RNBKQRMMAUNKAP-WDEREUQCSA-N 314.349 -0.785 30 20 DBED C[C@H](CNC(=O)[C@@H]1COCCO1)N(C)c1nccnc1C#N 1113501948 QVADHTLWKXKWMV-PWSUYJOCSA-N 305.338 -0.295 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)c3nnn(C)c3C)[C@H]2C1 1114090645 HUNLAALFFQHNGE-QWRGUYRKSA-N 318.381 -0.914 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)[C@]3(C)CCNC(=O)C3)[C@H]2C1 1114455581 FVJPBODLAPADFW-RPCCPQHDSA-N 319.405 -0.401 30 20 DBED CCC[C@H](OC)C(=O)NC1[C@H]2CN(CC(=O)NCC#N)C[C@H]12 1114669085 OJFQADYLVYZMNC-SRVKXCTJSA-N 308.382 -0.512 30 20 DBED N#CCn1cc(NC(=O)C(=O)N2CCN3C(=O)OC[C@@H]3C2)cn1 1116336725 GAMAVPBVERNDOL-JTQLQIEISA-N 318.293 -0.992 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N[C@H](C)CS(C)(=O)=O 1117377922 NPODHCJWVGYUEH-SNVBAGLBSA-N 306.384 -0.803 30 20 DBED C#CCSCCNC(=O)C(=O)N1C[C@H](C)O[C@@H](COC)C1 1117461553 IYFBAFAJYBPGTC-NWDGAFQWSA-N 314.407 -0.269 30 20 DBED C=C[C@@H]1CCCCN1C(=O)C(=O)N1CCN2C(=O)NC[C@H]2C1 1117912931 VZHKRMOLCUIMCB-NEPJUHHUSA-N 306.366 -0.211 30 20 DBED C#CCOCCNC(=O)C(=O)NCc1cccc2c1OCCO2 1119729849 UPZYKBBWTDFTRZ-UHFFFAOYSA-N 318.329 -0.160 30 20 DBED COCC#CCNC1CC2(C1)CC(NC(=O)[C@H]1CCC(=O)N1)C2 1120818658 AGKZRHADASYVOZ-OPFKTAGGSA-N 319.405 -0.068 30 20 DBED Cn1cc(C(=O)NC[C@@H](CO)N=c2cc[nH]cc2C#N)cn1 1121026154 WVEUVHNFQDCFQM-LBPRGKRZSA-N 300.322 -0.689 30 20 DBED Cc1ncc(C(=O)NC[C@@H](CO)N=c2cc[nH]c(C#N)n2)[nH]1 1121234488 CGFFDZSMFXWEKZ-VIFPVBQESA-N 301.310 -0.996 30 20 DBED CN1CCO[C@@H](C(=O)NC[C@H](CO)Nc2ccc(C#N)nc2)C1 1121251734 VHDCFSOFBXEAAV-ZIAGYGMSSA-N 319.365 -0.827 30 20 DBED N#Cc1cnc(N[C@@H](CO)CNC(=O)Cc2ccon2)cn1 1121258873 YWRSVZOWTWWPGJ-LLVKDONJSA-N 302.294 -0.532 30 20 DBED N#Cc1cncc(N[C@H](CO)CNC(=O)c2ccnc(O)c2)n1 1121310071 DZBCFEUJJIXAMO-NSHDSACASA-N 314.305 -0.348 30 20 DBED Cn1nccc1CC(=O)NC[C@H](CO)Nc1ncccc1C#N 1121412679 RVDVPGGBAFUUAV-GFCCVEGCSA-N 314.349 -0.182 30 20 DBED O=C(C#CC1CC1)NC[C@H](CO)Nc1ncnc2[nH]cnc12 1121439694 RAIOQIDTHPHWDX-SNVBAGLBSA-N 300.322 -0.345 30 20 DBED C=CCn1c([C@@H](O)COC)nnc1N1CCNC(=O)[C@H]1CC 1121633477 OHQQUYPBSSBCDT-MNOVXSKESA-N 309.370 -0.141 30 20 DBED C=CCCOCC(=O)NC[C@H](CO)Nc1nccn2nnnc12 1121750014 VINCMJBOUVTXAU-SNVBAGLBSA-N 321.341 -0.999 30 20 DBED Cc1nonc1CC(=O)NC[C@H](CO)Nc1ccc(C#N)nc1 1121955932 DPDQCPBEQCVKNQ-GFCCVEGCSA-N 316.321 -0.224 30 20 DBED CCN(C)CCC(=O)NC[C@@H](CO)Nc1cncc(C#N)n1 1122029866 YDPHBRSFTIGYBB-LBPRGKRZSA-N 306.370 -0.421 30 20 DBED Cc1n[nH]cc1C(=O)NC[C@@H](CO)Nc1cnc(C#N)cn1 1122293559 NKUPXPOPROGEMD-JTQLQIEISA-N 301.310 -0.417 30 20 DBED CSCC(=O)N(C)C[C@H](O)CN(C)c1cncc(C#N)n1 1124924675 GFFANFSNLOMDOM-LLVKDONJSA-N 309.395 -0.033 30 20 DBED CN(C[C@@H](O)CN(C)c1ncccc1C#N)C(=O)c1nc[nH]n1 1125139337 IXCIZWFDDVLNFE-NSHDSACASA-N 315.337 -0.359 30 20 DBED CCCn1nnnc1CNCCNC(=O)c1ccc(C#N)[nH]1 1125813699 IIMGUFCCCYTOHT-UHFFFAOYSA-N 302.342 -0.198 30 20 DBED CN(CCOCCN=c1cc[nH]c(C#N)n1)C(=O)c1nc[nH]n1 1127364557 SCYLQEFYGCPXAK-UHFFFAOYSA-N 316.325 -0.911 30 20 DBED CNC(=O)CC(=O)NCC1=CCN(c2ccc(C#N)nn2)CC1 1127623233 HOQXVUJXNNJQCY-UHFFFAOYSA-N 314.349 -0.263 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)c1cncc2nc[nH]c12 1127797993 VJWDTPVLXWYYHM-JTQLQIEISA-N 316.365 -0.032 30 20 DBED C#CCN1CC[C@H](c2n[nH]cc2CNC(=O)CC(=O)N(C)C)C1 1130431530 ZTDRTSFIIHIEBV-LBPRGKRZSA-N 317.393 -0.073 30 20 DBED C=C(C)CCNCCNC(=O)c1c[nH]nc1S(N)(=O)=O 1133619522 XEUOBNCGDPNKAN-UHFFFAOYSA-N 301.372 -0.657 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1ncn(C(C)(C)C)n1 1133813463 WDCYZDSWVSVEJA-NSHDSACASA-N 320.397 -0.510 30 20 DBED C[C@H](C[C@@H](C)NC(=O)Cc1cncnc1)NCC(=O)NCC#N 1134228008 LNWZEFDBPCNDEV-VXGBXAGGSA-N 318.381 -0.468 30 20 DBED C[C@@H](C[C@H](C)NC(=O)CC1(O)CCC1)NCC(=O)NCC#N 1134348869 OPYAUEHMTBUTES-RYUDHWBXSA-N 310.398 -0.196 30 20 DBED CC#CCN1CCC2(C1)CN(C(=O)[C@H](C)NS(C)(=O)=O)C2 1148351332 JCSUFJBLKJDBOW-LBPRGKRZSA-N 313.423 -0.518 30 20 DBED CC1(C)C[C@H]1C(=O)NC[C@@H]1CN(CC(=O)NCC#N)CCCO1 1149541702 SQUJYUZCTAKHGW-OLZOCXBDSA-N 322.409 -0.121 30 20 DBED CC#CCN1CCCO[C@@H](CNC(=O)[C@H](C)N2CCOCC2)C1 1150842299 RYYKYAZKQGSUKB-HOTGVXAUSA-N 323.437 -0.063 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)CCCCC(=O)NC 1153065029 CSWNETHVIAWVNT-LBPRGKRZSA-N 310.398 -0.864 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)CCc1nc[nH]n1 1156349425 LBOUTMFDYXAIIY-LLVKDONJSA-N 308.386 -0.476 30 20 DBED CC#CCN(CC)[C@H](C)CNC(=O)CN1C(=O)CN(C)C1=O 1156787517 IXGRLYGBHZAXDG-GFCCVEGCSA-N 308.382 -0.270 30 20 DBED C#CCNC(=O)CC(=O)NCCCNCc1ncnn1CC 1156857140 FGPJYTQTJUOXMT-UHFFFAOYSA-N 306.370 -0.967 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@]1(C)CCNC(=O)C1 1160890160 XBUCGWUWVIYYQM-OAHLLOKOSA-N 310.398 -0.699 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)Cc1nonc1C 1169886693 CYQFCYYZWMBYAQ-LLVKDONJSA-N 307.354 -0.846 30 20 DBED C=CCNC(=O)CNCCCNC(=O)c1ccc(OC)nn1 1170156002 SUYWOFZSBHVSSV-UHFFFAOYSA-N 307.354 -0.503 30 20 DBED C#CCCN[C@H]1CCN(C(=O)[C@@H]2CCN(C)S2(=O)=O)[C@H]1C 1179691846 DZEJAWWNHWIYFR-AVGNSLFASA-N 313.423 -0.377 30 20 DBED C#Cc1cncc(C(=O)N2CC[C@@H](NC[C@H](O)COC)C2)c1 1185558323 VYHGWHBZJBOBLU-CABCVRRESA-N 303.362 -0.126 30 20 DBED C[C@@H]1CN(C(=O)CN2C(=O)CN(C)C2=O)CC[C@H]1CNCC#N 1185641203 OQHGGPHIRDETGR-NEPJUHHUSA-N 321.381 -0.522 30 20 DBED C=CCCCN[C@@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 1187887466 AQLQNCCZNADCRD-VXGBXAGGSA-N 301.412 -0.165 30 20 DBED CN(CC(=O)NCC#N)[C@@H]1CCN(C(=O)c2cnsn2)C1 1189059969 WLEUETUOTCRUEK-SECBINFHSA-N 308.367 -0.676 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@@H]1CCN(C(=O)CC(=O)NCC)C1 1189787714 PVFOOXXPDKZRFW-QWHCGFSZSA-N 322.409 -0.817 30 20 DBED CN(CC(=O)NCC#N)[C@@H]1CCN(C(=O)[C@@H]2CC2(F)F)C1 1189997229 ZTYBPIDPDOINEW-ZJUUUORDSA-N 300.309 -0.186 30 20 DBED C=CCOCCN(C)[C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 1191698015 XZALLOYDDXNLJL-CQSZACIVSA-N 324.425 -0.847 30 20 DBED CC(C)NC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 1192248865 MANIJJBKKYBJDK-CHWSQXEVSA-N 319.365 -0.814 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 1192454301 DWGBXNFZSYIFHW-YJNKXOJESA-N 319.405 -0.164 30 20 DBED C#CCCCC(=O)N1CCCN(CC(=O)NC(=O)NC)CC1 1195644802 AGLWCFIVNDRBOB-UHFFFAOYSA-N 308.382 -0.220 30 20 DBED C#CCOCCC(=O)N1CCCN([C@@H](C)c2nnnn2C)CC1 1195824232 NRRGJCUAUPAWLF-ZDUSSCGKSA-N 320.397 -0.155 30 20 DBED CC(=O)CCCC(=O)N1CCC(NCC(=O)NCC#N)CC1 1199327235 BQZRSFOMBZXOPH-UHFFFAOYSA-N 308.382 -0.034 30 20 DBED N#CCNC(=O)CNC[C@H]1CN(C(=O)c2cc[nH]c2)CCCO1 1200563401 QAHRIACQIDTGRV-ZDUSSCGKSA-N 319.365 -0.525 30 20 DBED C#CCNC[C@@H]1CN(C(=O)C[C@H]2CCN(C)C2=O)CCCO1 1200777906 MZZGYFKKMMQHTC-ZIAGYGMSSA-N 307.394 -0.305 30 20 DBED COc1c(C(=O)N2CCCO[C@@H](CNCC#N)C2)cnn1C 1201957837 HCEHJFWIJFMOCQ-NSHDSACASA-N 307.354 -0.227 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(CC(=O)NC(=O)NC)C[C@H]1C 1206613908 JPFMZBLNOPGIJM-GHMZBOCLSA-N 312.370 -0.919 30 20 DBED N#CCNC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2CCCOC2)C1 1207660893 QWLSSLSDAKYXGA-OLZOCXBDSA-N 308.382 -0.367 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)C2CCC2)[C@H](OC)C1 1211754897 NMFKKXLNLFKPCF-MRVWCRGKSA-N 307.394 -0.260 30 20 DBED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)c1cccs1 1211784256 SMRFALYIUFVFBV-GHMZBOCLSA-N 322.390 -0.183 30 20 DBED C=CCCC(=O)N[C@@H]1CN(CCS(C)(=O)=O)C[C@H]1OC 1211999694 UGQFSWBASWFSIJ-VXGBXAGGSA-N 304.412 -0.187 30 20 DBED COCC#CCN1C[C@@H](NC(=O)Cc2cc(C)[nH]n2)[C@H](OC)C1 1212098578 LJXMNADGQKNLIL-HUUCEWRRSA-N 320.393 -0.274 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)C2(C)CC2)[C@H](OC)C1 1212307058 UDUUCCYFRHJVTN-JHJVBQTASA-N 307.394 -0.260 30 20 DBED C#CCOCCC(=O)N1CCO[C@@H]2CN(CCOCC)C[C@@H]21 1217888255 YPXIEYOUJHSJLC-LSDHHAIUSA-N 310.394 -0.026 30 20 DBED Cc1noc(CCCN2C[C@H](O)[C@H](NC(=O)[C@H](C)C#N)C2)n1 1219379529 UGJMRNNUXXWNSA-JLLWLGSASA-N 307.354 -0.368 30 20 DBED C#CCCCCC(=O)N[C@@H]1CN([C@H](C)C(=O)N(C)C)C[C@@H]1O 1219490784 YVDIPYJJJQMWOW-MCIONIFRSA-N 309.410 -0.182 30 20 DBED CCC[C@H](C)NC(=O)CN1C[C@H](O)[C@H](NC(=O)C#CC2CC2)C1 1219594549 QCOBJRFILZFLKA-CFVMTHIKSA-N 321.421 -0.134 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)COCC(F)F)C1 1220064491 DOQIRAOCGCRSMW-MNOVXSKESA-N 308.325 -0.368 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)CCC(=O)NC2CCCC2)C1 1220609387 UQEVAGFAWHXBDI-OLZOCXBDSA-N 308.382 -0.490 30 20 DBED C[C@@H](CC(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@@H]1O)C(C)(C)C 1220850126 BZFQTUWIDVPQGJ-XQQFMLRXSA-N 324.425 -0.140 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)C[C@](C)(O)C=C)CC1 1223027089 HETPJDZYBFJAMD-QGZVFWFLSA-N 321.421 -0.109 30 20 DBED COCC#CCN1CC[C@H]1CN(C)C(=O)CO[C@H]1CCOC1 1234295563 GMCNZSPYXQODNR-GJZGRUSLSA-N 310.394 -0.026 30 20 DBED CCOCCn1nnnc1N(CCC#N)CCN1CCOCC1 1262215379 UCWTUYOEIATRNU-UHFFFAOYSA-N 323.401 -0.238 30 20 DBED C=CCNC(=O)Cn1nnnc1N1CCC[C@H](NC(C)C)C1 1262409846 LQVLOEHKRYNXTM-LBPRGKRZSA-N 307.402 -0.058 30 20 DBED COC[C@](C)(C#N)NC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 1319730525 BNSYVBBJJNXPLW-FPBBJANHSA-N 321.333 -0.806 30 20 DBED CN1CC[C@@H](NC(=O)C(=O)Nc2cccc(OCC#N)c2)C1=O 1321293515 KZMXYTOPPPUZQZ-GFCCVEGCSA-N 316.317 -0.126 30 20 DBED C#CCSCCNC(=O)C(=O)N1CCC[C@]12CCOC2=O 1323112638 GCCFYMYFPTVDQM-CQSZACIVSA-N 310.375 -0.223 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCCOC[C@H]1C 1323767381 XROQUNMJGQPZEV-LLVKDONJSA-N 318.395 -0.659 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CCC[C@](C)(O)C2)nn1 1325986751 NLFMGLGANFUISI-AWEZNQCLSA-N 307.354 -0.546 30 20 DBED C=CCCCS(=O)(=O)N[C@H](CN1CCOCC1)C(=O)O 1326110415 DHWFMFIBANRGKI-LLVKDONJSA-N 306.384 -0.343 30 20 DBED C#C[C@H](NC(=O)C(=O)NCc1nnc(C)s1)[C@@H]1CCCO1 1327228278 XSCAXGVRIRVONG-UWVGGRQHSA-N 308.363 -0.240 30 20 DBED C=C[C@H](CO)NC(=O)C(=O)Nc1ccc(CNC(C)=O)cc1 1327473500 PJHVNYYMBRSKHH-GFCCVEGCSA-N 305.334 -0.076 30 20 DBED CCS(=O)(=O)CCCNC(=O)C(=O)Nc1cccc(C#N)n1 1328224339 PMNCZIRXKCPBBW-UHFFFAOYSA-N 324.362 -0.167 30 20 DBED C=C(C)CN(C)C(=O)C(=O)N1CCC(NC(=O)COC)CC1 1328961300 DRYGVFSTSYIAAR-UHFFFAOYSA-N 311.382 -0.226 30 20 DBED Cc1cccc(NC(=O)C(=O)NN2CC(=O)NC2=O)c1C#N 1329111447 URHADUJLFBPPEM-UHFFFAOYSA-N 301.262 -0.612 30 20 DBED CCC(O)(CC)CN(C)C(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1329859701 XAPKBWFAZLKGER-HNNXBMFYSA-N 311.382 -0.127 30 20 DBED N#CC[C@@H]1CCCN(C(=O)C(=O)NCCN2C(=O)CCC2=O)C1 1330464587 AWRKZEQTMCYYLI-NSHDSACASA-N 320.349 -0.596 30 20 DBED C=CC[C@H](NC(=O)CN(C)S(=O)(=O)N(C)C)C(=O)OCC 1332612454 LOZOWMCPDLDVNF-JTQLQIEISA-N 321.399 -0.651 30 20 DBED Cn1cccc1CNC(=O)C(=O)NC1CCN(CC#N)CC1 1341899215 GECKSQIFYWVPJS-UHFFFAOYSA-N 303.366 -0.255 30 20 DBED N#Cc1ccc(NCC(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)nc1 1362137190 WPFGTVNNFATUMT-QWRGUYRKSA-N 303.322 -0.486 30 20 DBED Cc1c(NC(=O)CCn2cc(C#N)c(O)nc2=O)cnn1C 1362193261 ZMFZGNJSVSXRNM-UHFFFAOYSA-N 302.294 -0.109 30 20 DBED N#Cc1cn(CC(=O)NCc2cccc(CO)c2)c(=O)nc1O 1362244876 OGAYQZDDVYXZGT-UHFFFAOYSA-N 314.301 -0.371 30 20 DBED CO[C@H](CNC(=O)Cn1cc(C#N)c(O)nc1=O)CC(C)C 1362572041 PNQQZHFHFYRSLO-NSHDSACASA-N 308.338 -0.002 30 20 DBED C[C@@H]1[C@@H](C)N(C(=O)Cn2cc(C#N)c(O)nc2=O)CCN1C 1362574744 BVGJNPOKYGZKGB-NXEZZACHSA-N 305.338 -0.628 30 20 DBED N#Cc1cn(CC(=O)N[C@H](CO)CC(F)(F)F)c(=O)nc1O 1362697603 QKHNLBXQVQLURH-ZETCQYMHSA-N 320.227 -0.750 30 20 DBED CC(C)(C)N1CC[C@H]1C(=O)NCCn1cc(C#N)c(O)nc1=O 1363003544 KBGXYVUYQZPNGI-NSHDSACASA-N 319.365 -0.190 30 20 DBED Cc1cc(CNc2c(C#N)c(=O)n(C)c(=O)n2C)cc(O)n1 1364210351 JHGNPSTYTLJJLQ-UHFFFAOYSA-N 301.306 -0.023 30 20 DBED N#Cc1cnc(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)c(Cl)c1 1364356711 LGPDHQCLWKZNNA-RKDXNWHRSA-N 315.738 -0.506 30 20 DBED C[C@H](C#N)C(=O)NCC1CN(C(=O)c2ccoc2CC(N)=O)C1 1387924110 BKQLCEZJZFLQHK-SECBINFHSA-N 318.333 -0.345 30 20 DBED CC(=O)NCC(=O)N1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 1396908013 ZDMISHRIWVBFNT-LLVKDONJSA-N 303.322 -0.647 30 20 DBED C[C@H](CO)N(CC1CCC1)C(=O)Cn1cc(C#N)c(O)nc1=O 1412060840 VHDVHZUNKKLPJR-SNVBAGLBSA-N 320.349 -0.170 30 20 DBED C[C@@H](C#N)C(=O)NCC1CN(C(=O)CCn2cnccc2=O)C1 1416124271 QIXSZMXHQANTNV-NSHDSACASA-N 317.349 -0.632 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(Cc2ccnc(N(C)C)c2)C1 1440037055 FHPQXTNRWQUREI-GFCCVEGCSA-N 317.393 -0.030 30 20 DBED CCN1CCOC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H](C)C#N)C1 1445952263 COYGNDJCIXFWMN-FQUUOJAGSA-N 322.409 -0.122 30 20 DBED COCCN(CCNC(=O)[C@@H](C)C#N)C(=O)c1ccnn1C 1452151294 NQQAFDDFYAIGCI-NSHDSACASA-N 307.354 -0.215 30 20 DBED CCCn1cc(C(=O)NC[C@@H](O)CNC(=O)[C@@H](C)C#N)c(C)n1 1452378729 DJPUDVHOYFLKRX-JQWIXIFHSA-N 321.381 -0.032 30 20 DBED COC(=O)NCC(=O)NCC[C@@H](C)NC(=O)c1ccc(C#N)[nH]1 1454986634 RLSQHUGTDSMENP-SECBINFHSA-N 321.337 -0.133 30 20 DBED CN(CCNC(=O)c1cc(C#N)c[nH]1)C(=O)CCn1cnnn1 1455194971 XKQYOIGRIIINJF-UHFFFAOYSA-N 316.325 -0.849 30 20 DBED N#CCC1(O)CN(S(=O)(=O)c2[nH]cnc2Br)C1 1475208946 AMAGEFIPDGYJGG-UHFFFAOYSA-N 321.156 -0.179 30 20 DBED CC(=O)N1CC(C(=O)N2CCC(CNC(=O)[C@H](C)C#N)CC2)C1 1492158008 ZBMZRJOIQGDWNT-LLVKDONJSA-N 320.393 -0.021 30 20 DBED COCCN(CCNC(=O)c1cnsn1)C(=O)[C@@H](C)C#N 1511847957 OQBXBYNEBRGUCR-VIFPVBQESA-N 311.367 -0.097 30 20 DBED C[C@H](C#N)C(=O)NCCN(C(=O)[C@@H]1CC(=O)N(C)C1)C1CC1 1529853390 KODLLNZMKLYDMY-GHMZBOCLSA-N 306.366 -0.268 30 20 DBED C#CCN(C)CCCNC(=O)[C@@H]1CCCN(CC(=O)O)C1=O 1588396445 ZIOFMBPNPNCRBE-LBPRGKRZSA-N 309.366 -0.619 30 20 DBED C=CCOC[C@@H](NC(=O)C[C@H]1CCCS1(=O)=O)C(=O)O 1588854284 UQNUOPJONPHBKI-NXEZZACHSA-N 305.352 -0.274 30 20 DBED Cc1nc(-c2nn[nH]n2)c(C#N)n1CC(=O)N1CCOCC1 1592335549 TYDCMUNFEBNODM-UHFFFAOYSA-N 302.298 -0.898 30 20 DBED COCC#CCN1CCC(CO)(NC(=O)[C@@H]2C[C@@H]2C(=O)O)CC1 1599139755 YFLVERISEOAIJE-OLZOCXBDSA-N 324.377 -0.700 30 20 DBED N#CCN(CC(=O)O)C(=O)CS[C@@H]1CCS(=O)(=O)C1 1601069544 NAXGFJYWWSTAMZ-MRVPVSSYSA-N 306.365 -0.657 30 20 DBED CC#CCS(=O)(=O)NC(=O)Cc1ccc(-c2nn[nH]n2)nc1 1602896558 HFSAMKWQWIECDG-UHFFFAOYSA-N 320.334 -0.727 30 20 DBED CC[C@](COC)(NS(=O)(=O)N(C)[C@H](C)CC#N)C(=O)O 1609926960 ZTDUGVKACKKFSD-MWLCHTKSSA-N 307.372 -0.065 30 20 DBED N#Cc1cnn2cc(CN3CC(n4cc(C(=O)O)nn4)C3)cnc12 1610634126 LQFZQEIMTJNSDG-UHFFFAOYSA-N 324.304 -0.052 30 20 DBED N#Cc1ccc([C@H](OC(=O)[C@H]2CCS(=O)(=O)N2)C(N)=O)cc1 1649859008 DQWCOTLLXONYPO-MNOVXSKESA-N 323.330 -0.680 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)[C@@H]2CCCN2C(N)=O)C1 1752414441 OGIGVMQSGQQHLG-STQMWFEESA-N 310.398 -0.077 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@H]1C[C@@H](NC(=O)c2cncn2C)C1 1752741109 MUGLNPKIFQKUSJ-UTUOFQBUSA-N 305.382 -0.039 30 20 DBED C#CCNC(=O)CN(CC)CCNC(=O)Cc1ccc(F)cn1 1753084981 JMEWHNDDLQDGCB-UHFFFAOYSA-N 320.368 -0.049 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC[C@H]1CNC(=O)Cc1ncc[nH]1 1753113756 NIBGOCWMRJXSKH-OLZOCXBDSA-N 317.393 -0.329 30 20 DBED C=CCNC(=O)CN1CC[C@H](CNC(=O)c2cnc(O)n2C)C1 1753131504 WUXYSAIAMMMXLG-LLVKDONJSA-N 321.381 -0.520 30 20 DBED C#Cc1cncc(C(=O)NC[C@H](O)CNCc2cnnn2C)c1 1753927038 BMEDQPKFYGTJPG-CQSZACIVSA-N 314.349 -0.928 30 20 DBED C#CCNC(=O)CNC[C@H](O)CNC(=O)Cc1ccsc1C 1753930978 VZXWKMRIGZSMAJ-ZDUSSCGKSA-N 323.418 -0.585 30 20 DBED C=C(Cl)CNCC[C@H](C)NC(=O)C[C@@H]1NC(=O)NC1=O 1753971884 IGQCUVFYFTZRHJ-IUCAKERBSA-N 302.762 -0.179 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2cnccn2)[C@H](C)C1 1754588717 AZDYEAYMLNWIKE-CHWSQXEVSA-N 315.377 -0.191 30 20 DBED CC#CCN1CCC(C)(NC(=O)C[C@@H]2NC(=O)NC2=O)CC1 1754627661 STSSHSKYYXEURM-NSHDSACASA-N 306.366 -0.422 30 20 DBED C#CCO[C@H](C)C(=O)N1CCN([C@@H]2CCN(CCCO)C2)CC1 1754663205 OBRWPNJUZWZTEB-HZPDHXFCSA-N 323.437 -0.374 30 20 DBED C[C@@H](O)CNCC1(O)CCN(C(=O)CSCC#N)CC1 1755147959 VORYTEOALJVGFF-LLVKDONJSA-N 301.412 -0.433 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2cnsn2)C(C)(C)C1 1755405108 JDPSJUVLKXCGNA-LLVKDONJSA-N 321.406 -0.272 30 20 DBED CC#CCN1C[C@@H]2C(CNC(=O)COCc3nncn3C)[C@H]2C1 1755434331 QZBOSSQMPTUKEK-ZIAGYGMSSA-N 317.393 -0.351 30 20 DBED C#CCCN[C@H](C)[C@H]1CN(C(=O)CS(=O)(=O)CC)CCO1 1755448730 WORKSYXHVUKDMT-CHWSQXEVSA-N 316.423 -0.350 30 20 DBED COCC#CCN[C@@H](CO)CNC(=O)[C@H](C)Cc1cnn(C)c1 1755643205 GSHWYDLEYRWJKT-UKRRQHHQSA-N 322.409 -0.685 30 20 DBED C=C(C)CCNC[C@H](O)CN(C)C(=O)[C@@H]1CCCS1(=O)=O 1755796364 PICKNWXXAQUMSL-STQMWFEESA-N 318.439 -0.061 30 20 DBED C#CCNC(=O)CN(C)C[C@H](O)CN(C)C(=O)C1[C@H]2CCC[C@H]12 1755799562 PSRCOQUMKAYOSN-IHRRRGAJSA-N 321.421 -0.467 30 20 DBED CN(CC(C)(C)CNC(=O)C#CC1CC1)C(=O)[C@H]1CNC(=O)N1 1755997339 FJOJNPZGPGEVGE-GFCCVEGCSA-N 320.393 -0.318 30 20 DBED C#CCOCCC(=O)N(C)[C@H](C)CNC(=O)[C@H]1CCNC1=O 1756054030 GUJONOMRFNBXQD-NEPJUHHUSA-N 309.366 -0.875 30 20 DBED C=CCOCC(=O)N1C[C@@H](NC(=O)CNC(C)=O)C(C)(C)C1 1756170546 KNSWFWYCVVXKET-GFCCVEGCSA-N 311.382 -0.322 30 20 DBED C=C[C@@](C)(CC)C(=O)N[C@H](CO)CNC(=O)c1c[nH]c(=O)cn1 1756544615 BOLJCPPJUWCPGN-BONVTDFDSA-N 322.365 -0.421 30 20 DBED C#CCOCCC(=O)N[C@H]1C[C@H](C)N(C(=O)CCNC(N)=O)C1 1756590155 NPIXIISGQMYPGD-RYUDHWBXSA-N 324.381 -0.810 30 20 DBED C=CCC(=O)N1CC[C@@]2(C1)CN(C(=O)C1CN(C)C1)CCO2 1783919728 IPLVTQLKXHTEOW-MRXNPFEDSA-N 307.394 -0.046 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCCC1)C2 1800452457 MHOHZEJHPZEKRB-YWVIFJGQSA-N 305.378 -0.695 30 20 DBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)C(C)C)C2)C1 1839806666 VLZPBERJPNHTCH-GDBMZVCRSA-N 324.377 -0.907 30 20 DBED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)CC)C2)C1 1840175044 DHQBGFWDQGPSOV-INIZCTEOSA-N 324.377 -0.002 30 20 DBED CC(C)(NCCC#N)C(=O)N1CC2(CCCN2C(=O)CN)C1 1842876673 RHHOXOTVRKZJEE-UHFFFAOYSA-N 307.398 -0.570 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC(C(=O)NCCCOC)CC1 56307754 BRWCDGFXMIQFBU-CYBMUJFWSA-N 309.410 -0.011 30 20 DBED C=CC1CCN(CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1 111260485 AOIZZKSMXDWFTP-UHFFFAOYSA-N 306.366 -0.253 30 20 DBED N#CCN1CCN(C(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)CC1 152668323 HDLBLXPCNYSTPJ-CHWSQXEVSA-N 318.377 -0.171 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCCSC2)C1=O 267202228 DKBARKDCYYCWKV-SECBINFHSA-N 311.363 -0.025 30 20 DBED CCOC(=O)CO/N=C(/C(=O)NC[C@@H]1CCOC1)c1cc[nH]n1 276648973 WJRFIUPQAGJPTJ-LNLNWCRDSA-N 324.337 -0.154 30 20 DBED C[C@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)C1COC1 277085863 QYKYXAZSYXFTGC-JTQLQIEISA-N 323.378 -0.413 30 20 DBED C=C[C@H](CO)NC(=O)N[C@H]1CCCN(c2cnn(C)c2)C1=O 290997380 KXWPEZLFCXJWSL-PWSUYJOCSA-N 307.354 -0.238 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(c2ccc(C(N)=O)cn2)CC1 298784343 YLCLJVXROSWKCO-LBPRGKRZSA-N 315.377 -0.560 30 20 DBED C[C@H](CO[C@@H]1CCOC1)/N=C(/O)N1CC[C@H](S(N)(=O)=O)C1 328643735 AJTUFAPZAQPBLN-MXWKQRLJSA-N 321.399 -0.543 30 20 DBED CN1CC(=O)N(C/C(O)=N/CCN2CCOCC2(C)C)C1=O 328954250 YIQPLUBHCCHKCL-UHFFFAOYSA-N 312.370 -0.052 30 20 DBED CNS(=O)(=O)c1cc(/C(O)=N/C[C@H]2COCCO2)co1 330452374 KSIOOJNLBQSZHZ-VIFPVBQESA-N 304.324 -0.092 30 20 DBED CCS(=O)(=O)N(C)CCC/N=C(/O)N1CC[C@H](CO)C1 330819186 OAIPKHAOZFHJHD-NSHDSACASA-N 307.416 -0.114 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)C2CCC(O)CC2)CC1 330984478 PGEVDTRHJJHYHD-UHFFFAOYSA-N 309.410 -0.016 30 20 DBED C[C@@H](CCS(C)(=O)=O)N/C(O)=N/CC(=O)N1CCCC1 331021111 KDEZUCATTWLTRD-JTQLQIEISA-N 305.400 -0.064 30 20 DBED COC(=O)CN(CC#N)C(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 331427050 QZPBSOOSYCKJSR-RNCFNFMXSA-N 311.363 -0.034 30 20 DBED CN1C(=O)CC[C@@H](NS(=O)(=O)c2cncc(C#N)c2)C1=O 336846716 BJHNRZBTLXFFOA-SNVBAGLBSA-N 308.319 -0.621 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCN2C(=O)CC[C@@H]2C1 336883911 HLZSZGQXFJPKDL-WDEREUQCSA-N 300.384 -0.371 30 20 DBED COC(=O)C[C@]1(NS(=O)(=O)N(C)C[C@H](C)C#N)CCOC1 336934332 DRVBCKDTBNECPF-ZYHUDNBSSA-N 319.383 -0.366 30 20 DBED C[C@H](O)C[C@@H]1CCCN1S(=O)(=O)N1CCO[C@H](C#N)C1 336955350 YITBMIIFXGKUFF-SDDRHHMPSA-N 303.384 -0.309 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CCC[C@H](OCCO)C1 337074291 QREMYWQDNRMEEM-LBPRGKRZSA-N 305.400 -0.060 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N(CCOC)[C@@H](C)C(N)=O 337089351 ILIVVUBTMWIXAK-MNOVXSKESA-N 320.415 -0.465 30 20 DBED CN(CC[C@@H]1CCCO1)S(=O)(=O)N1CCO[C@@H](C#N)C1 337158349 QUFDGEXIEIUECX-RYUDHWBXSA-N 303.384 -0.044 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H](C)C(=O)N1CCCC1 337247859 PFLLSVHGCSFRMU-MNOVXSKESA-N 302.400 -0.077 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N1CCN2C(=O)CC[C@H]2C1 337758051 IQEJLNDYIQCGCV-QWRGUYRKSA-N 300.384 -0.228 30 20 DBED N#Cc1ccc(C(=O)CNS(=O)(=O)N2CCOCC2)cc1 341039927 KCEFZVWASJMNIC-UHFFFAOYSA-N 309.347 -0.092 30 20 DBED CC(C)(C)N1C[C@H](C(=O)NCCn2cnc(C#N)n2)CC1=O 342891335 ZMKMAFXOATVVKO-SNVBAGLBSA-N 304.354 -0.087 30 20 DBED CC[C@](C)(C#N)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 349617618 QZSYWFSFRBGHJJ-MRXNPFEDSA-N 322.409 -0.071 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N[C@H]1CC(=O)N2CCCC[C@@H]12 355258465 WZYQNSCIAYBISP-STQMWFEESA-N 323.393 -0.083 30 20 DBED N#CC[C@H](CC(=O)N(CC(N)=O)CC(N)=O)c1ccccc1 355621381 MLMKRESGFNNCSJ-GFCCVEGCSA-N 302.334 -0.127 30 20 DBED CCN(CC#N)C(=O)Cn1ccc2c(=O)n(C)c(=O)n(C)c21 362632120 XZJRUPHMYPBFTL-UHFFFAOYSA-N 303.322 -0.589 30 20 DBED Cn1ccnc1[C@H]1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)C1 366741518 WWRCMWTVNMLVTB-JTQLQIEISA-N 314.349 -0.317 30 20 DBED C[C@@H](C(=O)N(C)CCC#N)N1CCCN(S(C)(=O)=O)CC1 408089402 NHPQZLXOVLVIFX-LBPRGKRZSA-N 316.427 -0.286 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)CCN1c1nccn2cnnc12 441051819 RPAYOPLPWBCAQR-LLVKDONJSA-N 314.353 -0.725 30 20 DBED CCOCCN1CCN(C(=O)C(=O)N(C)C[C@@H](C)C#N)CC1 459923828 RZCSQWTUGDRVSM-ZDUSSCGKSA-N 310.398 -0.215 30 20 DBED Cn1c(N[C@H]2CCn3ccnc3C2)c(C#N)c(=O)n(C)c1=O 489875175 NCYYXLONUASAGZ-VIFPVBQESA-N 300.322 -0.421 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H](C(=O)O)[C@@H]1CCOC1 565836703 FPXRSFIMBLVMJX-GMTAPVOTSA-N 319.383 -0.208 30 20 DBED CC1(C#N)CN(C(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)C1 576445861 DTRLJFJPTFPXFA-IQIPOGNMSA-N 303.318 -0.479 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1CC[C@@H](C)[C@H]1C(=O)O 593270188 ZSTHVCRDLDFRCY-MNOVXSKESA-N 319.383 -0.112 30 20 DBED CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)c1cc(O)cc(C#N)c1 598032308 ZTKNGRIODMTQEO-NEPJUHHUSA-N 310.331 -0.194 30 20 DBED C[C@H]1CCN(C(=O)C(=O)NC2CCN(CC#N)CC2)C[C@@H]1CO 598680472 YCJKLOAMORQQBN-QWHCGFSZSA-N 322.409 -0.433 30 20 DBED C=CCOC[C@H](NS(=O)(=O)c1cnc(C)n1C)C(=O)OC 599301272 AESBCZGVMFYDBG-JTQLQIEISA-N 317.367 -0.249 30 20 DBED N#Cc1ccc(NCC(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)nc1 599937709 IMAFPYZQASJISW-KBPBESRZSA-N 315.377 0.033 30 20 DBED N#Cc1cc(NC(=O)C(=O)NCc2nn[nH]n2)ccc1Cl 609952985 SLLMSYAWOWYSEN-UHFFFAOYSA-N 305.685 -0.020 30 20 DBED C=C[C@](C)(O)C(=O)N[C@H]1CC(=O)N(CCN(C)CCOC)C1 622055812 WAJDEWUFRIJIQH-WFASDCNBSA-N 313.398 -0.781 30 20 DBED C=CCCOCCNC(=O)N[C@H]1CS(=O)(=O)C[C@@H]1OC 660953734 BVZFUCQWMKUYMH-QWRGUYRKSA-N 306.384 -0.310 30 20 DBED C#CCC[C@H](O)CNC(=O)CS[C@H]1CCS(=O)(=O)C1 717918839 FDUCSALCIKGTQS-QWRGUYRKSA-N 305.421 -0.203 30 20 DBED Cc1cc(S(N)(=O)=O)sc1C(=O)N(CC#N)CC(=O)O 738480261 BPHVQEHXKCDLEZ-UHFFFAOYSA-N 317.348 -0.246 30 20 DBED N#Cc1cnn(C(=O)CSCC(=O)N2CCOCC2)c1N 740923393 KGCVFDVJAPHMTE-UHFFFAOYSA-N 309.351 -0.431 30 20 DBED C#CCNC(=O)COC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 748468276 XWTWAJPCKCPTEW-TXFQPVFDSA-N 316.313 -0.914 30 20 DBED C#C[C@@H](NC(=O)NCCS(=O)(=O)NCC)[C@@H]1CCCO1 773288287 XSLHBSSUJRKYDL-MNOVXSKESA-N 303.384 -0.594 30 20 DBED C#C[C@H](NC(=O)N1CC[C@H](S(N)(=O)=O)C1)[C@H]1CCCO1 774976659 IUJMFABDOANOTE-GARJFASQSA-N 301.368 -0.760 30 20 DBED C=CCNC(=O)CNC(=O)c1nn(C)c(=O)c2ccccc12 777515988 ROLGYAPAYFAFKW-UHFFFAOYSA-N 300.318 -0.035 30 20 DBED COCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](C#N)C1 802475565 FAWAFOJDHYUSQQ-LLVKDONJSA-N 322.369 -0.209 30 20 DBED NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCN(O)C2=O)cc1 820476296 KAMGLZAXQBVVJG-SNVBAGLBSA-N 313.335 -0.556 30 20 DBED C=CCS(=O)(=O)CCNC(=O)[C@H]1CC(=O)N(CCC)C1 839722122 CCDSEZRNJUOJTJ-NSHDSACASA-N 302.396 -0.038 30 20 DBED C#CC[C@H](CCOC)NC(=O)NCCCN1C(=O)CNC1=O 858204618 PQAHPGOBINIQGM-LLVKDONJSA-N 310.354 -0.344 30 20 DBED C#C[C@@H](NC(=O)C(=O)N1CCN(CCC#N)CC1)[C@H]1CCCO1 875324168 KFXLDHWREPYSBV-ZIAGYGMSSA-N 318.377 -0.659 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@@H](C)[C@@H](O)CC)CC1 900585796 ZKBQFLVWSSGUQX-KBPBESRZSA-N 309.410 -0.323 30 20 DBED CN(C)CCN(CC(=O)N(C)C)S(=O)(=O)CC(C)(C)C#N 917364796 ZXZPXJWLRRCBCZ-UHFFFAOYSA-N 318.443 -0.182 30 20 DBED C#CC[C@H]1NC(=O)N(C2CCN(CC(=O)NCCC)CC2)C1=O 927355964 QPNRKOUHRJBHHV-CYBMUJFWSA-N 320.393 -0.079 30 20 DBED CN(C(=O)c1cnn[nH]1)[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 937196449 WHUKLMCDZJKSJZ-NSHDSACASA-N 313.321 -0.009 30 20 DBED CN(C(=O)[C@H]1COC(=O)N1)[C@@H]1CCN(C(=O)C#CC2CC2)C1 937346829 DUNIIPHZRAHLDF-VXGBXAGGSA-N 305.334 -0.433 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](NC(=O)c2cnc3[nH]nnc3c2)C1 938133946 KZNCBDSLKIRUAS-SCZZXKLOSA-N 313.321 -0.157 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2cnon2)C1 942260942 GSGVOBFSSAYVOG-YPMHNXCESA-N 317.349 -0.502 30 20 DBED C[C@H]1CN(C(=O)C(N)=O)CC[C@H]1NC(=O)c1c[nH]c(C#N)c1 945485154 QZUGNGDVRYFMJW-GZMMTYOYSA-N 303.322 -0.662 30 20 DBED CC#CCN1CC[C@H](NC(=O)Cn2nc(C)n(C)c2=O)C[C@@H]1C 947983576 CAGNKAYENDSVTQ-JSGCOSHPSA-N 319.409 -0.117 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@@H]2CNC(=O)[C@H]2C[C@H]2C(N)=O)[nH]1 952162058 PNQFRPIMDJJWTO-MXWKQRLJSA-N 315.333 -0.662 30 20 DBED C[C@@H](C#N)C(=O)N1CC(N(C)C(=O)c2ccc3nn[nH]c3n2)C1 954536519 LFGZJRLMWUDTQB-QMMMGPOBSA-N 313.321 -0.205 30 20 DBED Cc1nc2cc(C(=O)NC[C@@H]3CN(CC#N)C[C@@H]3O)cnc2[nH]1 958122368 UYCVUVPNKGPRFN-YPMHNXCESA-N 314.349 -0.188 30 20 DBED CN(C)c1ccc(C(=O)NC[C@H]2CN(CC#N)C[C@@H]2O)cn1 958202276 CIVHOSHRJBHOTF-STQMWFEESA-N 303.366 -0.306 30 20 DBED N#CCN1C[C@@H](O)[C@H](CNC(=O)c2ccc3oc(O)nc3n2)C1 958582002 WODGAQUUOIATME-PSASIEDQSA-N 317.305 -0.526 30 20 DBED CC#CCN1C[C@H](CNC(=O)c2cccnc2C(N)=O)[C@@H](O)C1 958715844 IUNZFJJUBPQXCY-AAEUAGOBSA-N 316.361 -0.774 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)Cc1ccon1 960149876 VKBBCKAAGWRRNV-WCFLWFBJSA-N 318.333 -0.185 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H]2CN(C(=O)c3cnco3)C[C@@H]21 960879527 RMGJDBDQAVWRPC-JFGNBEQYSA-N 304.306 -0.114 30 20 DBED NC(=O)CC(=O)N1CCC[C@H]2CN(C(=O)C#CC3CC3)C[C@H]21 963700252 LKPOFIDXXFHTBD-QWHCGFSZSA-N 303.362 -0.275 30 20 DBED C[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1NC(=O)c1cnnn1C 966399486 MCNDJBZQLFHLNP-JQWIXIFHSA-N 301.350 -0.195 30 20 DBED CCN(C(=O)[C@H]1COCCN1C)C1CN(C(=O)C#CC2CC2)C1 967887466 DEPSLBRVPVHRER-OAHLLOKOSA-N 319.405 -0.210 30 20 DBED C#CCN1CC([C@@H](C)NC(=O)c2ccc(S(N)(=O)=O)o2)C1 970048581 WDHOXQRVFUBAJK-SECBINFHSA-N 311.363 -0.390 30 20 DBED C#CCCN1C[C@H]2CC[C@H]1CN2C(=O)[C@H]1CC[C@@H](C(N)=O)O1 971809154 POCSSGYZTWIEAY-RFQIPJPRSA-N 305.378 -0.282 30 20 DBED N#Cc1cc(C(=O)N[C@H]2C[C@@H](CNC(=O)c3nc[nH]n3)C2)c[nH]1 979132310 GZWRXYYIAGWEFD-WAAGHKOSSA-N 313.321 -0.057 30 20 DBED CN(C(=O)[C@H]1COC(=O)N1)[C@H]1CCCN(C(=O)C#CC2CC2)C1 984174187 HVSGWNAMGUCZJZ-QWHCGFSZSA-N 319.361 -0.042 30 20 DBED N#Cc1ccc(C(=O)N2CC(NC(=O)[C@@H]3CCNC(=O)C3)C2)[nH]1 990799124 TWWSZDTZIWEHEV-SECBINFHSA-N 315.333 -0.647 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)C[C@H]2COC(=O)C2)C1 990834970 KCHDMQFZKGCXQM-RTXFEEFZSA-N 322.361 -0.142 30 20 DBED C#Cc1ccc(C(=O)N2CC(NC(=O)c3cnn(CC)n3)C2)nc1 991189883 FXPXVPCTBJHMBS-UHFFFAOYSA-N 324.344 -0.071 30 20 DBED CO[C@H]1C[C@H](C(=O)NC2CN(C(=O)[C@H](C)C#N)C2)N(C(C)=O)C1 996552468 BLDPKFOQBRVUBB-JIMOISOXSA-N 322.365 -0.891 30 20 DBED C=CCCn1cc(C(=O)N2CC(NC(=O)c3nc[nH]n3)C2)nn1 997818287 UQPJLLMRMDGYNO-UHFFFAOYSA-N 316.325 -0.773 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)[C@@H]2CCc3nnn(C)c3C2)C1 998494415 UWMWTMQDAIABFB-VHSXEESVSA-N 316.365 -0.593 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C(N)=O 1000567045 NAUIUUJCDUBSFA-GCHJQGSQSA-N 307.350 -0.689 30 20 DBED C#Cc1ccc(C(=O)N[C@H](C)C2CN(C(=O)C(N)=O)C2)cn1 1006531438 XMWBTCTVGDEQRI-SECBINFHSA-N 300.318 -0.875 30 20 DBED C[C@H]1[C@@H](NC(=O)CN2CCOCC2)CCN1C(=O)C#CC1CC1 1011739616 RPQNGUODIZONCX-ZFWWWQNUSA-N 319.405 -0.162 30 20 DBED N#Cc1ccc(C(=O)NC2[C@@H]3CN(C(=O)Cn4ccnc4)C[C@@H]23)[nH]1 1012965736 GWSYXQUOVUJKAK-VXGBXAGGSA-N 324.344 -0.030 30 20 DBED C[C@H](C#N)C(=O)N1CCC2(CN(C(=O)c3ncn(C)n3)C2)C1 1018996330 MYNUJRIBTNZPPR-SNVBAGLBSA-N 302.338 -0.351 30 20 DBED COc1cc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2O)sn1 1023958857 YIYBAGPNKVEKDF-IWSPIJDZSA-N 324.362 -0.387 30 20 DBED CC1(C(=O)N[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]2O)CC1 1024088924 FTCKIERVGRUHHB-VXGBXAGGSA-N 302.334 -0.012 30 20 DBED CCc1cc(C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2O)no1 1024922512 CQUIPNIBBAAAEX-ZIAGYGMSSA-N 317.345 -0.048 30 20 DBED C=CCNC1CCC(NC(=O)Cn2ccc(=O)n(C)c2=O)CC1 1026503341 SVRFLJYXNZCDRQ-UHFFFAOYSA-N 320.393 -0.250 30 20 DBED C#CCN1CC[C@H](CNC(=O)c2cn(CC(=O)N(C)C)nn2)C1 1029003842 PSLFCNVBDABWKV-GFCCVEGCSA-N 318.381 -0.949 30 20 DBED C=CCN1CC(CNC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 1031669956 ZBUCDIIXHMOLIX-GFCCVEGCSA-N 303.366 -0.003 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2[C@H](CC)C(N)=O 1032453808 PAJYGPGTJXGNLZ-XQLPTFJDSA-N 318.421 -0.367 30 20 DBED C=CCn1cc(C(=O)N(C)[C@@H]2CCN([C@H](CC)C(N)=O)C2)nn1 1033482655 ALZPKJXNVIPVFF-DGCLKSJQSA-N 320.397 -0.126 30 20 DBED Cc1nc(O)nc(O)c1CC(=O)N(C)[C@@H]1CCN(CC#N)C1 1033530668 SFXDYOJAUMGZKO-SNVBAGLBSA-N 305.338 -0.205 30 20 DBED C#CCCN1CCO[C@@H](CNC(=O)c2cc(=O)c(OC)c[nH]2)C1 1035448251 BLBHZNHVRIMJEQ-LBPRGKRZSA-N 319.361 -0.163 30 20 DBED C#CCN1CC2(CCN(C(=O)CN3CCOCC3=O)CC2)C1 1035722236 MRWJQPADGZITBU-UHFFFAOYSA-N 305.378 -0.597 30 20 DBED CN1CC(=O)N(CC(=O)N2CC[C@@H]3[C@H](CCN3CC#N)C2)C1=O 1036887998 BABKFBUPQQFSHM-VXGBXAGGSA-N 319.365 -0.673 30 20 DBED C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1NC(=O)NC1=O 1039387917 PZIRNXPQJRGOSS-WOPDTQHZSA-N 304.350 -0.717 30 20 DBED N#Cc1nccnc1N1C[C@@H]2CCN(C(=O)Cn3cncn3)[C@@H]2C1 1040623383 CPTFDQXHNJJYQO-WCQYABFASA-N 324.348 -0.323 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)c2ccsn2)C1 1040767560 ZABNEEWPALMAKB-ZANVPECISA-N 308.363 -0.004 30 20 DBED C=C1CC(C)(C(=O)NC[C@]2(O)CCN(C(=O)CC(=O)NC)C2)C1 1040851105 USOHZCFVNSVXJU-MRXNPFEDSA-N 323.393 -0.442 30 20 DBED N#Cc1cncc(N[C@@H]2C[C@@H](NC(=O)C(N)=O)C23CCC3)n1 1041612648 RXBQDRUGCLAVGM-NXEZZACHSA-N 300.322 -0.327 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(O)(CNC(=O)c2ccon2)C1 1041699039 KXROCWQQYPSQCA-CYBMUJFWSA-N 309.322 -0.695 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)Cn2cc(C)cn2)C1 1041952722 UWXRSLNVHIWSLU-UHFFFAOYSA-N 306.366 -0.153 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)c2cnnn2CC)C1 1041956836 XAEGKMQWGDGGID-UHFFFAOYSA-N 307.354 -0.433 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)C2=COCCC2)C1 1041979817 HZCQNGQGIMEAIW-LBPRGKRZSA-N 322.361 -0.592 30 20 DBED Cc1cc(C(=O)NCC2(O)CN(C(=O)[C@@H](C)C#N)C2)ncn1 1042588645 JHZPNKGVDSZOIC-VIFPVBQESA-N 303.322 -0.752 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042958878 ONPAXCZKQAZXRY-HNNXBMFYSA-N 306.362 -0.584 30 20 DBED CN(C)C1(C(=O)N2CC(O)(CNC(=O)C#CC3CC3)C2)CCC1 1042960095 DMFAQYGOYKKUPB-UHFFFAOYSA-N 319.405 -0.426 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)C1CN([C@H](C)C(=O)NC)C1 1042964032 ZLRXAGBMDAJQRQ-OCCSQVGLSA-N 306.410 -0.639 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)c2ccn(C)c2)C1 1043032997 OHZJTGJNVRAEMU-UHFFFAOYSA-N 319.361 -0.632 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)[C@H](OC)C2CC2)C1 1043039358 FODHLFIHYGDTRG-DGCLKSJQSA-N 324.377 -0.861 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)C[C@H](C)n2ccnc2)C1 1043077821 RKDUMZMTFOCLFI-RYUDHWBXSA-N 319.365 -0.317 30 20 DBED C=CCN1CC(N(C)C(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 1043501583 IKNZAZMBWMFJMU-UHFFFAOYSA-N 302.342 -0.364 30 20 DBED COc1ccc(C(=O)NCC2(O)CN(C(=O)[C@@H](C)C#N)C2)cn1 1043850861 YVMHMNBMPBCZNH-JTQLQIEISA-N 318.333 -0.447 30 20 DBED N#Cc1cnc(N2C[C@H](O)[C@H](NC(=O)[C@@H]3CCCOC3)C2)cn1 1043869953 VUBZCAKLQXEDBM-RTXFEEFZSA-N 317.349 -0.559 30 20 DBED C=C1CC(C)(C(=O)N2CC(O)(CNC(=O)[C@H](C)CC(N)=O)C2)C1 1044417582 AVZOCYZRTSHGHP-LLVKDONJSA-N 323.393 -0.456 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)CCc2cncn2C)C1 1044714829 OLMWDEVEIBPTKK-NSHDSACASA-N 319.365 -0.798 30 20 DBED CC#CCCCC(=O)NCC1(O)CN(C(=O)c2cnnn2C)C1 1044993910 HCVHAFJYWJHXOH-UHFFFAOYSA-N 319.365 -0.688 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)[C@@H]2CCN(C)[C@@H]2C)C1 1045560525 YEDCJGDJIZMKOG-IJLUTSLNSA-N 308.382 -0.824 30 20 DBED Cn1cc(CC(=O)N2CCN([C@H]3CCN(CC#N)C3)CC2)cn1 1046012511 POSLQCXQTMETSM-HNNXBMFYSA-N 316.409 -0.295 30 20 DBED N#CCN1CC[C@H](N2CCN(C(=O)Cn3cncn3)CC2)C1 1046083048 JTFGTHYMDLYBNU-ZDUSSCGKSA-N 303.370 -0.980 30 20 DBED C#CCN1CC[C@](C)(NC(=O)C2CC3(C2)NC(=O)NC3=O)C1 1046697410 IKAOKRQWPRFIBS-CUMGRINNSA-N 304.350 -0.812 30 20 DBED C=CCO[C@@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cn[nH]c2)C1 1048366280 FGDXHHPVVLKILP-DRZSPHRISA-N 322.365 -0.356 30 20 DBED C=CCCC(=O)N(C)[C@H]1CN(C(=O)[C@H]2COC(=O)N2)C[C@@H]1O 1048523460 OTQRAHDZIXQZNA-VWYCJHECSA-N 311.338 -0.909 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCOC2)C1 1049417757 AWRNGKKGMVNIOY-MQYQWHSLSA-N 324.377 -0.909 30 20 DBED CC(C)(C)N1C[C@H](C(=O)NC[C@@H]2COCCN2CC#N)CC1=O 1050945792 WPYHMOHDWAAEAK-CHWSQXEVSA-N 322.409 -0.026 30 20 DBED N#Cc1ccc(N2CC[C@@H](NC(=O)c3cn[nH]c3)[C@H](O)C2)nn1 1051626773 SZNXJUCKGRAMJQ-VXGBXAGGSA-N 313.321 -0.559 30 20 DBED C=CCN1CCN([C@@H]2CCN(C(=O)c3cn(C)nn3)C2)CC1 1052027228 YWLVDMAKLWTQOO-CYBMUJFWSA-N 304.398 -0.167 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)C[C@@H]1CCC(=O)NC1)CCO2 1053285583 JTMDJJLOGZDQPO-AWEZNQCLSA-N 319.405 -0.161 30 20 DBED C#CCN1CC2(C1)CN(C(=O)c1ccc(N(C)C)nn1)CCO2 1053510944 KGXMRLPYXGHXIY-UHFFFAOYSA-N 315.377 -0.297 30 20 DBED C=CCCN1CC2(C[C@@H](NC(=O)C[C@@H]3NC(=O)NC3=O)CO2)C1 1053832980 RTFLIPTVENWWNJ-MNOVXSKESA-N 322.365 -0.880 30 20 DBED N#Cc1ccc(CN2CC3(C[C@H](NC(=O)C(N)=O)CO3)C2)s1 1053912344 ZFTGSMYAGSCLFR-VIFPVBQESA-N 320.374 -0.435 30 20 DBED C#CCCCC(=O)N1C[C@H]2CN(C(=O)[C@@H]3CCC(=O)N3)C[C@H]2C1 1055306917 NOBBDQHARYIJQL-MJBXVCDLSA-N 317.389 -0.015 30 20 DBED CC(=O)NCC(=O)N1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)C#N 1056536738 APAMSFFACZYYQQ-RAIGVLPGSA-N 306.366 -0.126 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)CN1CCCC1=O 1056932838 CLIBMTJERMRRKM-UHFFFAOYSA-N 323.393 -0.651 30 20 DBED CC[C@H](OC)C(=O)NCCN(CCO)C(=O)c1cc(C#N)c[nH]1 1057291638 MILLGCRIJIDFGC-ZDUSSCGKSA-N 322.365 -0.138 30 20 DBED N#Cc1ccc(C(=O)N(CCO)CCNC(=O)[C@H]2CCCO2)[nH]1 1057366709 CFMOJPOKCNSOQB-CYBMUJFWSA-N 320.349 -0.384 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)[C@H]1CCCOCC1 1057459380 IMWFEQLGVTZCBA-OLZOCXBDSA-N 311.382 -0.100 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)C[C@H]1CCN(C)C1 1057517604 YGNLUWSQHUVHCQ-OAHLLOKOSA-N 323.437 -0.075 30 20 DBED Cc1cc(C(=O)NCCN(CCO)C(=O)C#CC(C)C)n(C)n1 1057517619 YTOTWDMBILRBGD-UHFFFAOYSA-N 320.393 -0.061 30 20 DBED CNC(=O)CCCC(=O)NCCN(CCO)C(=O)C#CC1CC1 1057531688 VQVARQYPUMGKDE-UHFFFAOYSA-N 323.393 -0.747 30 20 DBED O=C(CO[C@@H]1CCOC1)NCCN(CCO)C(=O)C#CC1CC1 1057533204 KFWJWDSZLWKGTK-CQSZACIVSA-N 324.377 -0.858 30 20 DBED C=C[C@@H](C)[C@@H](C)C(=O)N(CCO)CCNC(=O)c1nc[nH]n1 1058435653 ONYLKVPTIVHDEY-GHMZBOCLSA-N 309.370 -0.186 30 20 DBED CC1CCN(CC(=O)NCCN(CCO)C(=O)[C@H](C)C#N)CC1 1058654621 BYXNOLROFXVYAN-CQSZACIVSA-N 324.425 -0.185 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)[C@H](COC)OC 1058756844 MERRXIGGJGIROC-LBPRGKRZSA-N 302.371 -0.449 30 20 DBED CN1CCO[C@@H](C(=O)N[C@H]2C[C@H](Nc3ccc(C#N)nn3)C2)C1 1059170667 LCNAONBDSWJLQE-JHJVBQTASA-N 316.365 -0.262 30 20 DBED CC(C)C#CC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H](C)CC(N)=O 1061748833 CAFLZRNTIOZNIX-STQMWFEESA-N 323.393 -0.499 30 20 DBED C=CCCCC(=O)NC[C@@H]1COCCN1C(=O)Cn1cnnn1 1061829680 WMRHJCBNCQHUCH-GFCCVEGCSA-N 322.369 -0.627 30 20 DBED Cc1nc[nH]c1CC(=O)N1CCOC[C@H]1CNC(=O)[C@H](C)C#N 1061848001 OITUPJSGHWINHF-ZYHUDNBSSA-N 319.365 -0.236 30 20 DBED CN(C[C@@H]1CCN(C(=O)CC(N)=O)C1)c1cncc(C#N)n1 1062098957 DPUKVCBHSFNHSN-JTQLQIEISA-N 302.338 -0.492 30 20 DBED Cn1nnc(C(=O)NC2(CNC(=O)CSCC#N)CCC2)n1 1062579019 HBWTYRPVYVTPOK-UHFFFAOYSA-N 323.382 -0.764 30 20 DBED N#Cc1ccc(N2CC[C@H]3CN(C(=O)C(N)=O)CC[C@H]32)nn1 1064032846 GYQABBNXQUJCEH-GXSJLCMTSA-N 300.322 -0.739 30 20 DBED C=CCO[C@H](C)C(=O)NC1(CNC(=O)c2nnn(C)n2)CCC1 1064050653 KIYGTKVZXGCACG-SNVBAGLBSA-N 322.369 -0.430 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCC1(NC(=O)CNC(C)=O)CCC1 1064582304 WJRYKLGODBBVDN-OLZOCXBDSA-N 323.393 -0.131 30 20 DBED N#CCSCC(=O)N1CCO[C@@H](CNC(=O)c2nc[nH]n2)C1 1064882848 KTSGFRFLCDKNBS-VIFPVBQESA-N 324.366 -0.981 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)c2cnnn2C)CCO1 1065108115 OTRPCZZMLRVZMP-LBPRGKRZSA-N 319.365 -0.424 30 20 DBED C[C@@H](Nc1nccnc1C#N)[C@@H]1CCN(C(=O)CC(N)=O)C1 1065684527 QWMZJSAGNBXIPK-NXEZZACHSA-N 302.338 -0.127 30 20 DBED C#CCC1(C(=O)N2CC3(CN(C(=O)C(N)=O)CCO3)C2)CCC1 1068449008 XRYCDAKJTGPMGA-UHFFFAOYSA-N 319.361 -0.895 30 20 DBED C=CCN1CCn2ncc(CNC(=O)[C@@H]3CN(C)CCO3)c2C1 1069857010 VWRZQYLDPBKCQH-HNNXBMFYSA-N 319.409 -0.169 30 20 DBED N#CCN[C@@H]1CN(C(=O)Cn2ccnc2)C[C@@H]1n1ccnn1 1070336923 BNJWIYYYLDIXNA-NEPJUHHUSA-N 300.326 -0.960 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCC[C@@H](NC(=O)Cn2ncnn2)C1 1070673077 XEONUZMDBVTOMT-BXUZGUMPSA-N 322.369 -0.893 30 20 DBED Cc1n[nH]cc1C(=O)N1CCC(=O)NCCN(CC#N)CC1 1070982618 CIXMAEWOSDCTGB-UHFFFAOYSA-N 304.354 -0.494 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)[C@H]2CCN(C)C2)CC1 1071021935 MNOHUHHNOUDJSD-AWEZNQCLSA-N 308.426 -0.225 30 20 DBED CC#CCCCC(=O)N1C[C@H](C)[C@@H](NC(=O)Cn2ncnn2)C1 1072561185 OLIDDQHJUWNBMS-STQMWFEESA-N 318.381 -0.170 30 20 DBED C[C@@H](C(N)=O)N1CCCO[C@@H](CNC(=O)c2c[nH]c(C#N)c2)C1 1073576176 ZBRAGDXHUPZSEO-GWCFXTLKSA-N 319.365 -0.419 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)[C@H]2COCCN2CC)C1 1073670965 SSIIJOWMXUUFHQ-HUUCEWRRSA-N 309.410 -0.453 30 20 DBED CC#CCN1CCCO[C@H](CNC(=O)[C@H]2CN(CC)CCO2)C1 1073896646 WZOMTCSKBXCDIJ-HZPDHXFCSA-N 323.437 -0.063 30 20 DBED C#CCCN1CCO[C@@H]2CCN(C(=O)c3cn(C)nn3)C[C@@H]21 1074232605 CLNHHZIXLYPOKD-UONOGXRCSA-N 303.366 -0.246 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)Cc3n[nH]c(C)n3)C[C@H]21 1074238544 PWUCCWKRVDQRFU-OLZOCXBDSA-N 303.366 -0.409 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN([C@@H]3CCNC3=O)C[C@H]2O)cc1 1077493737 IQAFCNAMMKXTCX-RBSFLKMASA-N 313.357 -0.669 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)c2ccnc3c2nnn3C)C1 1077577665 RVIGCXBHOYJFEB-VXGBXAGGSA-N 316.365 -0.286 30 20 DBED C=CCOCC(=O)N1CC(N(CC)C(=O)[C@H]2CCN(C)C2=O)C1 1080301373 SHYMUXXLAZHHNK-ZDUSSCGKSA-N 323.393 -0.273 30 20 DBED CC#CCN1C[C@@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)[C@H](C)C1 1080890439 LEFFPQLFALJXIA-VXGBXAGGSA-N 320.393 -0.223 30 20 DBED C[C@H](C#N)C(=O)NC1(CO)CCN(C(=O)c2ncn(C)n2)CC1 1080980428 TXVIVAMUWZKUIY-SNVBAGLBSA-N 320.353 -0.942 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(C(=O)c2cnccn2)C[C@H]1O 1081469489 XMUHLHFRJCAZSA-GXTWGEPZSA-N 314.345 -0.561 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(C(=O)Cc2cnoc2)C[C@@H]1O 1081473651 JEXJDHMAHSKAQN-KGLIPLIRSA-N 317.345 -0.434 30 20 DBED C#CCCN1C[C@@H](NC(=O)[C@@H]2CCCN2C(C)=O)[C@H](OC)C1 1082334650 XFIJWSGNZSRJEE-QLFBSQMISA-N 307.394 -0.164 30 20 DBED C=C(C)CN1C[C@@H](NC(=O)C[C@H]2CC(=O)NC2=O)[C@H](OC)C1 1082401534 RUCVYPSOVINEHN-QJPTWQEYSA-N 309.366 -0.569 30 20 DBED C=C(C)CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)Cn1cnnn1 1082995036 NCOPZWJBDNEDKG-QWHCGFSZSA-N 306.370 -0.449 30 20 DBED Cc1nc(C(C)C)nc(O)c1C(=O)N[C@@H]1CN(CC#N)C[C@@H]1O 1083690170 FYQAGUWMHUGYJS-MNOVXSKESA-N 319.365 -0.088 30 20 DBED C=C(C)CN1CC[C@@H]2CN(C(=O)Cn3c(O)nnc3O)[C@@H]2C1 1084798771 BHTZIZKACSYSEN-GHMZBOCLSA-N 307.354 -0.202 30 20 DBED N#CCN[C@H]1C[C@@H](CNC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 1086085416 DGPSOOVSIBDNEW-UTUOFQBUSA-N 316.365 -0.229 30 20 DBED COc1ccnc(OC)c1C(=O)N[C@H]1CCN(CC#N)C[C@@H]1O 1090422239 IPFDUHSPNFNQII-QWRGUYRKSA-N 320.349 -0.213 30 20 DBED C=CCN1CC[C@@H](NC(=O)Cn2nnc3c2CCCC3)[C@H](O)C1 1090574018 QUAUIZUPWCVGIY-UKRRQHHQSA-N 319.409 -0.106 30 20 DBED CC(=O)NCc1ccc(C(=O)N[C@H]2CCN(CC#N)C[C@H]2O)o1 1090646771 LPKMGSWQPFPHEJ-QWHCGFSZSA-N 320.349 -0.396 30 20 DBED N#Cc1ccc(C(=O)NCC2CC(N[C@@H]3CCNC3=O)C2)[nH]1 1090988554 XYZUSNHECXVTTE-QEIKUCIBSA-N 301.350 -0.127 30 20 DBED Cn1c(O)ncc(C(=O)N2C[C@H]3CN(CC#N)C[C@@]3(C)C2)c1=O 1091905859 RSAFKPGHNWINLC-BMIGLBTASA-N 317.349 -0.597 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)[C@H]3CCC(=O)N3)c3nccn32)C1 1092357098 PPVVSTWOTAYVII-VXGBXAGGSA-N 313.361 -0.633 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)[C@@H]3CCC(=O)N3)c3nccn32)C1 1092409357 OJEWHHRLMLAXMR-QWRGUYRKSA-N 314.349 -0.743 30 20 DBED Cc1nc(N(C)C)nc(N2C[C@H]3C(NC(=O)[C@@H](C)C#N)[C@@H]3C2)n1 1093235354 PPSWVAGRVNWRBO-JMJZKYOTSA-N 315.381 -0.044 30 20 DBED CCC(=O)NCC(=O)NCCNc1cc(C#N)nc(CC)n1 1093527051 BLUOXBUZGBOIRH-UHFFFAOYSA-N 304.354 -0.035 30 20 DBED C#CCNC(=O)CC(=O)NCCNc1cc(OCC)nc(C)n1 1093558409 SYDMCVSZHPVMBY-UHFFFAOYSA-N 319.365 -0.149 30 20 DBED CCNC(=O)NC(C)(C)C(=O)NCCN=c1cc[nH]c(C#N)n1 1093869528 RKCJXKYHEZXJDX-UHFFFAOYSA-N 319.369 -0.604 30 20 DBED CCN1CCOC[C@H]1C(=O)NCCN=c1cc(C)[nH]cc1C#N 1093978054 VCDBRLODONKRAD-HNNXBMFYSA-N 317.393 -0.068 30 20 DBED N#Cc1cnc(NCCCNC(=O)[C@@H]2CCCN2C(N)=O)cn1 1094475115 NZSCGKTWQVSDMP-NSHDSACASA-N 317.353 -0.190 30 20 DBED CN(CCCNC(=O)C(C)(C)C(N)=O)c1cnc(C#N)cn1 1095662433 ZBHHLMRCFPETHA-UHFFFAOYSA-N 304.354 -0.198 30 20 DBED CN(CCCNC(=O)[C@H]1CCNC1=O)c1ccc(C#N)nn1 1095696813 MYWOCMCOGCKRAS-LLVKDONJSA-N 302.338 -0.573 30 20 DBED CCNC(=O)CC(=O)N[C@H]1CCN(c2nc(C)cc(C#N)n2)C1 1096359576 DKDBUDDTCZFCSK-NSHDSACASA-N 316.365 -0.122 30 20 DBED CCNC(=O)CC(=O)N[C@@H]1CCN(c2nccnc2C#N)C1 1096360321 LMUCPRMUFIWFIG-SNVBAGLBSA-N 302.338 -0.431 30 20 DBED N#Cc1nccc(N2CC[C@H](NC(=O)CCNC(N)=O)C2)n1 1096377498 BJLGTRAIQGUBPM-VIFPVBQESA-N 303.326 -0.898 30 20 DBED CN(C)C(=O)CC(=O)N[C@H]1C[C@@H](N=c2cc[nH]c(C#N)n2)C1 1097257483 OCDHNBCQDPJEQZ-AOOOYVTPSA-N 302.338 -0.692 30 20 DBED C[C@H](CNC(=O)[C@@]1(C)CCNC1=O)N=c1cc[nH]cc1C#N 1098261496 QRGCAGCNHFVHES-BMIGLBTASA-N 301.350 -0.182 30 20 DBED CN1C(=O)CCC[C@H]1C(=O)N1CCC(N(CC#N)CCO)CC1 1098550336 IRZUGXVKBAVNIE-AWEZNQCLSA-N 322.409 -0.194 30 20 DBED N#CCN1C[C@@H]2CCC[C@]2(NC(=O)CN2CCOCC2=O)C1 1098876106 CRFLSKLCRQECAT-WFASDCNBSA-N 306.366 -0.661 30 20 DBED C=CCOCC(=O)N1C[C@H]2CC[C@H]1[C@H]1CN(CC(N)=O)C[C@@H]21 1099447118 ZVSYCRSGPHECEL-RFGFWPKPSA-N 307.394 -0.157 30 20 DBED C[C@@H](CCNC(=O)[C@H]1CCC(=O)N1C)N=c1cc[nH]c(C#N)n1 1099653675 QEPNNMRUOSTENZ-WDEREUQCSA-N 316.365 -0.302 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)C(CC)CC)[C@H](O)C1 1099696367 XHRIUADRSVNZPO-UONOGXRCSA-N 309.410 -0.277 30 20 DBED COCC#CCN1CC[C@H](NC(=O)CC2=CCOCC2)[C@@H](O)C1 1099988494 IZQMYTFKFCEHQG-HOTGVXAUSA-N 322.405 -0.076 30 20 DBED Cc1nsc(N(C)CCNC(=O)[C@@H]2COC(=O)N2)c1C#N 1100049707 PYGGZIMXOARPAU-VIFPVBQESA-N 309.351 -0.016 30 20 DBED CCn1nncc1C(=O)NCCN(C)c1cnc(C#N)cn1 1100052260 HXEUSYFHSQBAEJ-UHFFFAOYSA-N 300.326 -0.174 30 20 DBED CCN(CCNC(=O)[C@@H]1CCC(=O)N1)c1ccnc(C#N)n1 1100573435 YXCVDDQAUQRHEH-JTQLQIEISA-N 302.338 -0.431 30 20 DBED CN(C)C(=O)CC(=O)NC[C@@H]1CCCN1c1cncc(C#N)n1 1100913885 SAUCGVVJDMYZBZ-LBPRGKRZSA-N 316.365 -0.088 30 20 DBED N#CCN1CC[C@H](Oc2ccnc(CNC(=O)C(N)=O)c2)C1 1101096842 CRPXCYLQRYKVSO-LBPRGKRZSA-N 303.322 -0.840 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H]1CN(CC(=O)N(C)C)C[C@H]1C 1101964366 MJAKKTSJYHWNTD-MGPQQGTHSA-N 309.410 -0.203 30 20 DBED CNC(=O)CC(=O)N1C[C@@H]2CC[C@H](C1)N2c1cncc(C#N)n1 1102192018 CYSQUBHQKRHHHQ-TXEJJXNPSA-N 314.349 -0.336 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1CNC(=O)c1ncccn1 1102474569 ATFAYBIFPDQEKY-VXGBXAGGSA-N 316.365 -0.586 30 20 DBED C[C@@H](CC(N)=O)C(=O)N(C)[C@H]1CCN(c2cncc(C#N)n2)C1 1102752339 FOQTVLQXUBMPQT-JQWIXIFHSA-N 316.365 -0.103 30 20 DBED CC[C@H](CNC(=O)C1(C(=O)NC)CC1)N=c1cc[nH]c(C#N)n1 1103123583 BPQHCNLGCCDBHB-SNVBAGLBSA-N 316.365 -0.397 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)c1cc(=O)n(C)o1 1103941887 PGFBIEJSBBVLFH-SECBINFHSA-N 316.321 -0.460 30 20 DBED CO[C@H](C)C(=O)N1C[C@@H](C)[C@H](CCNCC(=O)NCC#N)C1 1103945937 FNJFOLJLLKDLOF-JHJVBQTASA-N 310.398 -0.265 30 20 DBED C=CCCNCc1cn(C2CN(C(=O)Cn3cncn3)C2)nn1 1105371512 QDDFBUDSDJRQPH-UHFFFAOYSA-N 316.369 -0.381 30 20 DBED CN(CCN(C)c1cnc(C#N)cn1)C(=O)[C@@H]1CCC(=O)N1C 1105533920 NBOKCVWGWNNQTN-LBPRGKRZSA-N 316.365 -0.136 30 20 DBED C#CCN1CC(OC2CCN(C(=O)[C@H](C)NC(N)=O)CC2)C1 1105703552 CFUXCXKBQJPGIU-NSHDSACASA-N 308.382 -0.632 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)c2ccc(O)nn2)cn1 1105734808 FAGKJPQEBAHMNA-LLVKDONJSA-N 314.305 -0.348 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)[C@@H]2COCCO2)cn1 1105780785 VLIXQJZVERACSG-STQMWFEESA-N 306.322 -0.742 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H](O)CNc1nc(C)cc(C)n1 1105791845 HKCRUMXHBFKVAV-LBPRGKRZSA-N 319.365 -0.878 30 20 DBED Cc1cc(C#N)nc(NCC[C@H](C)NC(=O)Cn2ncnn2)n1 1106455055 YVVPXJXDBXKNRG-VIFPVBQESA-N 315.341 -0.350 30 20 DBED C[C@H](CCNc1cncc(C#N)n1)NC(=O)Cn1nccn1 1106460230 JFMWTUZJDSRNLD-SNVBAGLBSA-N 300.326 -0.053 30 20 DBED N#Cc1cnc(NC/C=C\CNC(=O)[C@@H]2CCNC(=O)C2)cn1 1107122220 OWUGZHPULLWFMX-RFMOXSJOSA-N 314.349 -0.041 30 20 DBED C=CCN1CC(n2cc(CNC(=O)CC(=O)N(C)C)nn2)C1 1107217392 JPEIEDUMZJFBNR-UHFFFAOYSA-N 306.370 -0.585 30 20 DBED N#Cc1cnc(NC/C=C/CNC(=O)[C@@H]2CNC(=O)N2)c(F)c1 1107493102 ZMRGXQKIZIRFPX-GXFZAYBSSA-N 318.312 -0.142 30 20 DBED C[C@]1(CNC(=O)C[C@@H]2CCCC(=O)N2)CN(CC#N)CCO1 1108063619 UKINKCAMBMJFDM-WFASDCNBSA-N 308.382 -0.224 30 20 DBED CC#CCN1CC(N2C[C@H](NC(=O)[C@H](C)COC)CC2=O)C1 1108524013 XKJQGHHKKQHMHI-CHWSQXEVSA-N 307.394 -0.307 30 20 DBED COCCO[C@@H](C)C(=O)N[C@@H](C)CN=c1cc[nH]c(C#N)n1 1108530498 LSFNJVKQRLIRIP-QWRGUYRKSA-N 307.354 -0.262 30 20 DBED COCC(=O)N[C@@H](C)C(=O)N[C@@H](C)CNc1cnc(C#N)cn1 1108746043 DVOSKGDZAAASEG-UWVGGRQHSA-N 320.353 -0.584 30 20 DBED C#CCCN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN1C(=O)CNC1=O)C2 1108813115 JKWPDTKKTMJLJG-AVGNSLFASA-N 318.377 -0.469 30 20 DBED COCCOCC(=O)N[C@@H](C)CN(C)c1cnc(C#N)cn1 1108882823 YFHZUPGGNMJRHN-NSHDSACASA-N 307.354 -0.048 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H]1CCC(=O)N1 1109061319 KASVMVAYPLRKHN-MQYQWHSLSA-N 305.378 -0.364 30 20 DBED C[C@H](NC(N)=O)C(=O)N(C)CCCNc1cnc(C#N)cn1 1109422576 XGMXBSQWERFODZ-VIFPVBQESA-N 305.342 -0.335 30 20 DBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C[C@@H]1CCCO1 1110313169 BTVPHZYLMGVPNV-RQJABVFESA-N 320.393 -0.083 30 20 DBED CCOCC(=O)NC[C@@]1(O)CCN(c2cncc(C#N)n2)C1 1111023059 UWZOUGYXZDTFNW-AWEZNQCLSA-N 305.338 -0.558 30 20 DBED CN(CCCN(C)c1nccnc1C#N)C(=O)[C@H]1COC(=O)N1 1112074980 FCCFNOAAVWTNDC-LLVKDONJSA-N 318.337 -0.259 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)c2cn(C)cn2)CC1 1112767395 QONMCCVGCQTPSW-LBPRGKRZSA-N 303.366 -0.684 30 20 DBED CNC(=O)NC(=O)CN1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 1112769661 QYOBUKKGPCHIAS-UHFFFAOYSA-N 318.337 -0.900 30 20 DBED C[C@H](CC(N)=O)C(=O)NC1CC(CN=c2cc[nH]c(C#N)n2)C1 1112865754 YPNKYPLJKHONII-KPPDAEKUSA-N 316.365 -0.412 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)c2cnn(CCF)c2)CC1 1113053224 BDLMRZYPQBCGNY-UHFFFAOYSA-N 322.344 -0.750 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)[C@@]3(C)CCOC3)[C@@H]2C1 1115015552 GVDSCOGIVSRHHZ-HSMVNMDESA-N 307.394 -0.238 30 20 DBED CCCn1cc(C(=O)N[C@H]2[C@@H]3CN(CC#CCOC)C[C@@H]32)nn1 1115025306 NCXKGUUZEXIZSE-NHAGDIPZSA-N 317.393 -0.002 30 20 DBED CC(C)(O)CC(=O)NCCOCCCN=c1cc[nH]c(C#N)n1 1115405249 BVRSZCZNZWNNAG-UHFFFAOYSA-N 321.381 -0.134 30 20 DBED N#CCN1CCN(C(=O)c2ccnc3c(C(N)=O)cnn23)CC1 1116431891 QEXPQUSDMUHKQO-UHFFFAOYSA-N 313.321 -0.890 30 20 DBED C=C[C@H](COC)NC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 1116618857 FOTBKVTZQYCTLA-NPNZPCOPSA-N 308.334 -0.534 30 20 DBED Cc1nn(C)c(-n2ccnc2C)c1C(=O)NCC(=O)NCC#N 1117274027 MYJMKSWKUXDCBP-UHFFFAOYSA-N 315.337 -0.408 30 20 DBED CSCC[C@H](NC(N)=O)C(=O)N[C@H]1CCCN(O)C1=O 1118934696 YSAWRBYMXPEPBE-YUMQZZPRSA-N 304.372 -0.727 30 20 DBED C#C[C@@H](NC(=O)C(=O)N1CC(OCC(F)F)C1)[C@@H]1CCCO1 1119155340 GDRHJXIUEXQMIL-MNOVXSKESA-N 316.304 -0.224 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H](CO)N=c2cc[nH]c(C#N)n2)cn1 1121847787 RKHQDMDLRGIDIU-ZDUSSCGKSA-N 322.328 -0.651 30 20 DBED N#Cc1cncc(N[C@@H](CO)CNC(=O)[C@@]23COC[C@@H]2C3)n1 1122760473 IYVHOEARXNMFEG-PXWWUCIGSA-N 303.322 -0.726 30 20 DBED C[C@@H]1[C@@H](Nc2ccc(C#N)nn2)CCN1C(=O)CCNC(N)=O 1123013592 YFSXGMZRNJJDSE-KOLCDFICSA-N 317.353 -0.192 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)c1ccsn1 1124578224 BZNYBWQMBGPIEC-VIFPVBQESA-N 318.362 -0.228 30 20 DBED CN(C[C@H](O)CN(C)c1cncc(C#N)n1)C(=O)c1cnco1 1125231253 OXJLMWICHXIQRA-LLVKDONJSA-N 316.321 -0.094 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCNCC(=O)Nc1cc(C)nn1C 1126385056 SPOLWAPJMPBPMT-OAHLLOKOSA-N 323.397 -0.300 30 20 DBED CC(C)C#CC(=O)NCCNCC(=O)NCC(=O)NC(C)(C)C 1126834186 MBXOZTMGMYEVCN-UHFFFAOYSA-N 324.425 -0.618 30 20 DBED C=CCNCc1cccc(N2CC[C@@H](NC(=O)C(N)=O)C2)n1 1128125569 CYHVMXCYFUSGQP-GFCCVEGCSA-N 303.366 -0.463 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H](n2ccnn2)[C@H](NC(=O)CC)C1 1128602799 XUIRWHPMWPHWIS-XQQFMLRXSA-N 320.397 -0.280 30 20 DBED C#CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)CC(=O)NCC)C1 1128908458 ZDVFCCWATHEGHX-OLZOCXBDSA-N 318.381 -0.831 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1=O 1130182869 YMNHGZUGTILLQG-HZSPNIEDSA-N 324.425 -0.802 30 20 DBED CN(CCC(=O)NCCNCC(=O)NCC#N)c1ccncc1 1130556628 PVNFGPWHLMHVDG-UHFFFAOYSA-N 318.381 -0.747 30 20 DBED Cc1ccc2[nH]nc(C(=O)NCCNCC(=O)NCC#N)c2c1 1130786477 JCILYRDKNLCJHR-UHFFFAOYSA-N 314.349 -0.170 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@@H]1C[C@@H](C)Cc2c[nH]nc21 1132832873 ZRXYVINSSCILEQ-WCQYABFASA-N 317.393 -0.469 30 20 DBED C=C1CCC(C(=O)NCCNCCN2C(=O)CNC2=O)CC1 1133365588 XQHWDUSDWAZSFZ-UHFFFAOYSA-N 308.382 -0.010 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC2(CCN(CC(=O)N(C)C)C2)C1 1147440707 OVEAEPSRQOEPPD-OAHLLOKOSA-N 309.410 -0.064 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)c1ncccn1)C2 1148477182 LXENFESKNHPNIO-UHFFFAOYSA-N 313.361 -0.626 30 20 DBED C#CCNC(=O)CN1CCCO[C@@H](CNC(=O)[C@H](C)CC)C1 1149205516 BOKMWCPQEHTWLV-KGLIPLIRSA-N 309.410 -0.011 30 20 DBED N#CCNC(=O)CNCCNC(=O)[C@@H]1COc2ccccc21 1153506709 CEVSUOCLHLMALF-GFCCVEGCSA-N 302.334 -0.492 30 20 DBED C=CCNC(=O)NC(=O)CNCCCNC(=O)[C@H]1CCCO1 1154412357 MFWMYGQXMIGPPQ-LLVKDONJSA-N 312.370 -0.727 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)c1ccc(C)nc1O 1167336677 QEEPYVWYSBQHMP-GFCCVEGCSA-N 318.377 -0.057 30 20 DBED Cn1cc(C(=O)NCCCNCC(=O)NCC#N)c(Cl)n1 1170933148 GBRYGZLQACIULT-UHFFFAOYSA-N 312.761 -0.577 30 20 DBED C#Cc1ccc(C(=O)NCCCNCc2nc(=O)n(C)[nH]2)nc1 1171584992 GDCUKBRBKKGALD-UHFFFAOYSA-N 314.349 -0.606 30 20 DBED C[C@@H](CCCCNCC#N)NC(=O)c1cn(CC(N)=O)nn1 1176752941 BHIYWGJIFYIION-JTQLQIEISA-N 307.358 -0.835 30 20 DBED N#CCNC(=O)CNCCCNC(=O)CCCN1CCCC1 1176880466 YQILGDXEYNREKI-UHFFFAOYSA-N 309.414 -0.402 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)c2nnn(C)n2)[C@H]1C 1179336847 DABHBSBOYDWNTF-VWYCJHECSA-N 321.385 -0.907 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)c2cn3c(n2)CCC3)C1 1182684013 JKVGXMGIEHMFMZ-GFCCVEGCSA-N 317.393 -0.064 30 20 DBED C=CCNC[C@]1(C)CN(C(=O)c2cn(CC(N)=O)nn2)C[C@H]1C 1183517263 XURJZPNIVHJUFH-IAQYHMDHSA-N 320.397 -0.363 30 20 DBED C=CCNC[C@H]1CCN(C(=O)CNC(=O)CNC(C)=O)C[C@H]1C 1184701137 ILGXFHPZBKSQBZ-TZMCWYRMSA-N 324.425 -0.501 30 20 DBED N#CCN[C@H]1CCCO[C@H]1C1CCN(C(=O)CNC(N)=O)CC1 1186114031 JFDCYJOGPORNJD-JSGCOSHPSA-N 323.397 -0.446 30 20 DBED C=CCNC(=O)CN1C[C@@H]2CCN(C(=O)Cn3ccnc3)[C@@H]2C1 1190481360 VFISOZZDZZADGJ-UONOGXRCSA-N 317.393 -0.282 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@H]1CCN(C(=O)c2ccnnc2)C1 1192523004 NXHJBOWMDAAMJR-OCCSQVGLSA-N 315.377 -0.239 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC2(F)F)C1 1194016127 OOALFEAEWLXWDB-IJLUTSLNSA-N 302.321 -0.157 30 20 DBED CCCN(C)CC(=O)N1CCCN(CC(=O)NCC#N)CC1 1197907291 BEFJNYYOKHVXEQ-UHFFFAOYSA-N 309.414 -0.498 30 20 DBED C[C@@H](CC(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1O)C(C)(C)C 1198125896 BZFQTUWIDVPQGJ-YNEHKIRRSA-N 324.425 -0.140 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(Cc2n[nH]c(C)n2)C[C@H]1O 1199307285 GRUDGPUEFJSTGI-VXGBXAGGSA-N 309.370 -0.633 30 20 DBED C=CCNC(=O)[C@H](C)NC[C@H]1CN(C(=O)COC)CCCO1 1199601961 XVJHKLYSBBVOHY-STQMWFEESA-N 313.398 -0.469 30 20 DBED C#CCNC1CCN(C(=O)[C@H](Cc2cnc[nH]2)NC(C)=O)CC1 1202301808 JCQRMEXCLVPPEH-HNNXBMFYSA-N 317.393 -0.329 30 20 DBED C#CCNC(=O)[C@@H](C)NCC1CCN(C(=O)CCOC)CC1 1204248085 AVQHNSKLZUYJEM-CYBMUJFWSA-N 309.410 -0.011 30 20 DBED C=CCOCCNCC1CCN(C(=O)[C@H]2CNC(=O)N2)CC1 1206086382 IPCLWRLQNUTRHW-CYBMUJFWSA-N 310.398 -0.301 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(Cc2cnn(C)c2)C[C@H]1C 1206887571 QQFNMBPSYQTVFS-TZMCWYRMSA-N 317.393 -0.504 30 20 DBED COCC#CCN1C[C@@H](NC(=O)c2ccncn2)[C@H](OC)C1 1213602354 HJEFGLBCNDVCLI-ZIAGYGMSSA-N 304.350 -0.445 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C[C@@H](C)C(C)C)C1 1219351657 FPLDEGLESFWQMI-MCIONIFRSA-N 309.410 -0.421 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)Cc2ccoc2)C1 1219505848 OQGKWCAMYNKAGF-BNOWGMLFSA-N 321.377 -0.326 30 20 DBED CCOC1CC(C(=O)N[C@@H]2CN(CC#CCOC)C[C@@H]2O)C1 1219556096 FATWMFCUROMXMQ-CVSAEHQPSA-N 310.394 -0.387 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)[C@]2(CC(C)C)CCNC2=O)C1 1219827780 MUUNDJNGNNJDKP-WWGRRREGSA-N 309.410 -0.114 30 20 DBED C=C(C)C(C)(C)C(=O)N[C@@H]1CN(CCOCCO)C[C@@H]1O 1220133834 OTKXBUHCQHEIJG-OLZOCXBDSA-N 300.399 -0.241 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1CN(CC#CC)C[C@@H]1O 1220487877 GYSYIRJFQUMMJI-ZNMIVQPWSA-N 307.394 -0.358 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)C(=O)NCc2ccc(F)cc2)C1 1220511694 KEFQYGOTFXFSRJ-KGLIPLIRSA-N 321.352 -0.211 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)c2oncc2C)C1 1220672759 FDBBHSOFSWTFJU-TUAOUCFPSA-N 322.365 -0.551 30 20 DBED C#CCN1CCS(=O)(=O)[C@@H](CCNC(=O)c2cnccn2)C1 1230413766 XAFGKXTXGYXULT-LBPRGKRZSA-N 322.390 -0.671 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)CCCNC(=O)[C@@H](C)NC(C)=O 1233590551 YVTVAAHIBLNVBN-VXGBXAGGSA-N 310.398 -0.913 30 20 DBED CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H](N)CCCC#N)C1 1261455795 BURACEKTUFZXNH-MNOVXSKESA-N 302.400 -0.452 30 20 DBED C#CCN(C(=O)C(=O)N1CC[C@@H](S(C)(=O)=O)C1)C(C)C 1262534692 NBRJSHUHZIRDPM-LLVKDONJSA-N 300.380 -0.498 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCN(C[C@@H]2CCc3ncnn32)C1 1265283770 IQCLZDMPPVLESX-KGLIPLIRSA-N 317.393 -0.004 30 20 DBED C=CCn1c(C)nnc1S(=O)(=O)CCCS(N)(=O)=O 1318771662 XISHCYVOCGUYBM-UHFFFAOYSA-N 308.385 -0.775 30 20 DBED C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)NCC1CCN(CC#N)CC1 1320179881 BMLVDZMQZJEICZ-BXUZGUMPSA-N 322.409 -0.386 30 20 DBED COC[C@@H](CO)NC(=O)C(=O)Nc1ccc(OCC#N)cc1 1321096632 GNNSCMZJCGOTTJ-LLVKDONJSA-N 307.306 -0.349 30 20 DBED C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1326227483 NLPKVUAMRMZQAT-IOASZLSFSA-N 322.409 -0.338 30 20 DBED CC(C)(O)[C@@H]1CCCN1C(=O)C(=O)N1CC[C@](O)(CC#N)C1 1326534179 UIWOITMWAXBEKG-XHDPSFHLSA-N 309.366 -0.375 30 20 DBED CC#CCCNC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 1328206199 CGMHSJGLIZHBNL-CQSZACIVSA-N 307.394 -0.115 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)C(=O)NCCOC(F)(F)F)C1 1329347917 OOFRZYPAUSVEBR-SNVBAGLBSA-N 309.244 -0.484 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CC[C@](O)(C2CC2)C1)[C@@H]1CCCO1 1329626283 KUUAIWOEMHGYPX-HEHGZKQESA-N 306.362 -0.343 30 20 DBED CC[C@@H]1COCCN1C(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1330320545 YLAUNLQLXAYFEG-TZMCWYRMSA-N 320.393 -0.177 30 20 DBED C=CCOCc1nnc(N2C[C@H]3C(=O)N(C)C(=O)[C@H]3C2)n1C 1339751582 CKKWADMUECFFJJ-AOOOYVTPSA-N 305.338 -0.431 30 20 DBED C#CCOCCN(C)C(=O)c1cc(S(=O)(=O)N(C)C)c[nH]1 1353520667 TVKKXTMGMWCDPI-UHFFFAOYSA-N 313.379 -0.013 30 20 DBED CO[C@@]1(C(=O)NCc2ccc(C#N)cn2)CCS(=O)(=O)C1 1361397925 PWINWVAIHPWKLE-ZDUSSCGKSA-N 309.347 -0.227 30 20 DBED CCn1nc(C)c(C(=O)NCCn2cc(C#N)c(O)nc2=O)n1 1363484806 URTXEOBGUBBFCA-UHFFFAOYSA-N 317.309 -0.830 30 20 DBED N#Cc1cn(CCNS(=O)(=O)c2ccco2)c(=O)nc1O 1364029389 AEGWFZXDVVLTMC-UHFFFAOYSA-N 310.291 -0.608 30 20 DBED CC[C@](C)(CNC(=O)NCCn1cc(C#N)c(O)nc1=O)OC 1364643902 YGJMPGPLBRXYAM-CQSZACIVSA-N 323.353 -0.065 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNCC(=O)N(C)Cc1ccco1 1367582379 OUHCPSAZOFXJOU-NEPJUHHUSA-N 322.365 -0.536 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)CCn2cccn2)C1 1380117209 KVAGIDLTDICXAY-SWLSCSKDSA-N 319.365 -0.488 30 20 DBED CCN(CCNC(=O)[C@H](C)C#N)CC(=O)NC[C@H]1CCCO1 1390884898 GQGRPCOUWRCGFF-CHWSQXEVSA-N 310.398 -0.121 30 20 DBED CC(=O)N[C@H](C)C(=O)N[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 1407753350 NZXUCUTZHUTGRZ-SKDRFNHKSA-N 317.349 -0.258 30 20 DBED CCS(=O)(=O)CC(=O)NCC[C@@H](C)NC(=O)[C@@H](C)C#N 1408471842 WHSDRQFUDKQSSM-VHSXEESVSA-N 303.384 -0.408 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CCN(C(=O)C(C)(C)N2CCOCC2)C1 1414555487 AHADAUGZXPOJPS-CHWSQXEVSA-N 322.409 -0.026 30 20 DBED CCN(CCNC(=O)[C@@H](C)C#N)C(=O)CCCS(N)(=O)=O 1415718725 IECCJKLFMPYQPN-JTQLQIEISA-N 318.399 -0.821 30 20 DBED CCS(=O)(=O)NCCN(C)CCN(C)C(=O)[C@H](C)C#N 1422150589 DTPXGGYTIMYSKE-LLVKDONJSA-N 304.416 -0.524 30 20 DBED CNC(=O)NCC(=O)NC[C@@H](C)N(C)C(=O)c1ccc(C#N)[nH]1 1424178965 HDLZVEVITLTBBO-SECBINFHSA-N 320.353 -0.608 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)NCc2nc(C(F)F)no2)CCO1 1424251023 LDWZJHYLDRZSCJ-ZCFIWIBFSA-N 323.281 -0.434 30 20 DBED CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)Nc1n[nH]c(C)c1C#N 1434187408 BKCHIZUBCGLOGS-LLVKDONJSA-N 318.337 -0.345 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)c2ccc3nn[nH]c3n2)C1 1447444282 IVZHCUIKNPVEAM-CIUDSAMLSA-N 313.321 -0.110 30 20 DBED N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)C1(O)CCOCC1 1454632705 MVBDKMCEDPBILL-UHFFFAOYSA-N 321.337 -0.402 30 20 DBED Cc1cc(C(=O)NC[C@H](C)NC(=O)[C@H](C)C#N)ncc1C(N)=O 1454793763 CEIGOCNQIJKGRU-ZJUUUORDSA-N 317.349 -0.117 30 20 DBED CC(C)N[C@H]1CCCN(C(=O)Cn2cc(C#N)c(O)nc2=O)C1 1457606280 LQSQAAJLROFJLP-LBPRGKRZSA-N 319.365 -0.190 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCN(C(=O)[C@@H](C)CC(N)=O)C2)C1 1512322627 WHMNWEVQTQPHJG-QWRGUYRKSA-N 306.366 -0.282 30 20 DBED C=CCCOCC(=O)N1CC(N(C)C(=O)[C@@H]2C[C@@H]2C(=O)O)C1 1573359907 AWYSFUYHVORYBH-NEPJUHHUSA-N 310.350 -0.031 30 20 DBED Cc1cc(C#N)cnc1C(=O)N[C@H]1CN(C(=O)O)C[C@H]1CO 1574128031 RYSHQZCGGHEYIQ-QWRGUYRKSA-N 304.306 -0.038 30 20 DBED C#CCN1CCC(C(=O)NC2CCN(CC(=O)O)CC2)CC1 1588432341 LVCYZKDFQNZNNO-UHFFFAOYSA-N 307.394 -0.003 30 20 DBED C=CC[C@@H](CO)NC(=O)C(=O)Nc1cnn(C(C)(C)C(=O)O)c1 1588744348 KEHMAEUWXQXHHA-VIFPVBQESA-N 324.337 -0.306 30 20 DBED N#Cc1ncc(N2CCC3(CC2)CC(=O)N3)nc1-c1nn[nH]n1 1592708300 HOEQMLFDRIHPLM-UHFFFAOYSA-N 311.309 -0.613 30 20 DBED CO[C@@]1(C(=O)O)CCN(S(=O)(=O)N(C)[C@@H](C)CC#N)C1 1599078284 GJWCXGHIBGSROX-ONGXEEELSA-N 305.356 -0.359 30 20 DBED Cn1ncc2cc(S(=O)(=O)N(CC#N)CCC(=O)O)cnc21 1601032641 IUYDRFQZTQMUMC-UHFFFAOYSA-N 323.334 -0.043 30 20 DBED N#C[C@H]1CN(S(=O)(=O)N[C@@H](CC(=O)O)C2CC2)CCO1 1601063139 ONPRWMNHLZTXQC-UWVGGRQHSA-N 303.340 -0.702 30 20 DBED N#CCNC(=O)CNS(=O)(=O)Cc1ccccc1C(=O)O 1601074828 SFUMSPMJHGQMII-UHFFFAOYSA-N 311.319 -0.556 30 20 DBED C#CCN1CCC(OC(=O)[C@H]2CCCN(CC(=O)O)C2=O)CC1 1602700831 LDEJKCYVNYCULE-ZDUSSCGKSA-N 322.361 -0.050 30 20 DBED CN(CCC#N)S(=O)(=O)NC1CCN(CC(=O)O)CC1 1604126841 JERDHQMWTOUBEK-UHFFFAOYSA-N 304.372 -0.785 30 20 DBED COC(=O)C1(C#N)CCN(c2ncncc2-c2nn[nH]n2)CC1 1604915655 FUCDLUYAHOWFHA-UHFFFAOYSA-N 314.309 -0.060 30 20 DBED N#CC1(C(=O)O)CCN(C(=O)[C@H]2CCc3nnc(O)n3C2)CC1 1608171804 RIHKXAYJAJLJPW-VIFPVBQESA-N 319.321 -0.237 30 20 DBED N#C[C@H]1CNCC12CC(C(=O)N1CCO[C@H](CC(=O)O)C1)C2 1608179056 FIAMKBDONAEBBR-XWAURUHHSA-N 307.350 -0.172 30 20 DBED N#CCc1cccc(NC(=O)C(=O)NC[C@@H](O)CC(=O)O)c1 1608189731 JJWCREQFUAZNTH-NSHDSACASA-N 305.290 -0.357 30 20 DBED COC(=O)[C@H](CC(=O)O)NS(=O)(=O)c1cccc(C#N)c1 1610152049 WHFTXAZDHSVDBZ-JTQLQIEISA-N 312.303 -0.147 30 20 DBED COCC#CCN1CCC[C@@H](NC(=O)CCc2cn(C)nn2)C1 1690051925 BBRXMJJNIOVRIM-CQSZACIVSA-N 319.409 -0.022 30 20 DBED Cc1c(C(=O)NC[C@H](NCC(=O)NCC#N)C2CC2)cnn1C 1752452909 VWTVKLMPDAPJRP-ZDUSSCGKSA-N 318.381 -0.534 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@@H](NC(=O)C[C@@H](C)n2cccn2)C1 1752772061 MDHVOCLCCWCSAW-MCIONIFRSA-N 317.393 -0.180 30 20 DBED C#CCN1CCC[C@H]1CNC(=O)C[C@]1(C)CCS(=O)(=O)N1 1753117113 VZGMMCMDGXSXFZ-JSGCOSHPSA-N 313.423 -0.328 30 20 DBED C#CCNC(=O)[C@@H](C)NCCN(C)C(=O)COc1cccnc1 1753242380 QOLZAOUEIGOGKZ-CYBMUJFWSA-N 318.377 -0.354 30 20 DBED C=CCNC(=O)CN1CC[C@@H](N(CC)C(=O)[C@@H](C)CC(N)=O)C1 1753462540 VHJCCAJTOKWGHZ-QWHCGFSZSA-N 324.425 -0.277 30 20 DBED Cn1nccc1C(=O)N[C@@](C)(CNCC(=O)NCC#N)C1CC1 1753515284 XHVYDHIIATXVTA-HNNXBMFYSA-N 318.381 -0.452 30 20 DBED CC#CCNC[C@@H](O)CNC(=O)c1cc([C@H]2CCCN2C)[nH]n1 1753920404 USPGQHGCXOVBCJ-IUODEOHRSA-N 319.409 -0.120 30 20 DBED C#CCNC(=O)[C@@H](C)NC/C=C\CNC(=O)c1cnc(C)[nH]1 1754104215 QRICZHXYGIYBOH-ISALQUGTSA-N 303.366 -0.268 30 20 DBED Cc1noc(C)c1CCC(=O)N[C@H](C)CNCC(=O)NCC#N 1754252085 YEEGXCQIECSLRK-SNVBAGLBSA-N 321.381 -0.042 30 20 DBED C=CCNC(=O)CN(C)C[C@H](C)NC(=O)[C@@H]1CCCC(=O)N1C 1754343324 RTLFZZOWINEWKN-STQMWFEESA-N 324.425 -0.264 30 20 DBED COCC#CCN1CC[C@@H]1CNC(=O)[C@H]1CCNC(=O)CC1 1754503560 WOPXBXPFBROARF-ZIAGYGMSSA-N 307.394 -0.257 30 20 DBED C#CCNC(=O)CN1CC(N(C)C(=O)Cc2cnn(CC)c2)C1 1754584778 NNIVYPDCDJPWDK-UHFFFAOYSA-N 317.393 -0.663 30 20 DBED COCC#CCN1[C@H]2CC[C@H]1CN(C(=O)[C@@H]1CNC(=O)N1)CC2 1754659198 HPBNVDDGYZQAAM-IHRRRGAJSA-N 320.393 -0.617 30 20 DBED C#Cc1ccc(C(=O)NC[C@]2(O)CCN(CCCO)C2)nc1 1754758366 AEHDUYODXCWMQG-MRXNPFEDSA-N 303.362 -0.388 30 20 DBED C#CCN1CC(O)(CNC(=O)c2ccc3nc(O)[nH]c3n2)C1 1754772523 KDXBJNLBVNSJDH-UHFFFAOYSA-N 301.306 -0.927 30 20 DBED N#CCNCCN(CCO)C(=O)c1nc[nH]c1C(F)(F)F 1754884047 RSTWVNWHTNJKAG-UHFFFAOYSA-N 305.260 -0.024 30 20 DBED C=CCNC(=O)[C@H](C)NC[C@H]1CN(C(=O)COCC)CCO1 1754993952 AJISMDTYTGDEMS-STQMWFEESA-N 313.398 -0.469 30 20 DBED CC(=O)N[C@H](CC(C)C)C(=O)N1CCOC2(CN(CC#N)C2)C1 1755051191 OFPHSKPHIIQDRT-CQSZACIVSA-N 322.409 -0.026 30 20 DBED C#CCCN(C)C[C@H](O)CN(C)C(=O)c1ccc(C(N)=O)[nH]1 1755805366 NGTMPYCJZBKEHA-NSHDSACASA-N 306.366 -0.498 30 20 DBED C=CCCO[C@@H](C)C(=O)N(C)C[C@H]1CCCN1C(=O)C(N)=O 1755924857 KVMWTNBFUKXXSF-NWDGAFQWSA-N 311.382 -0.098 30 20 DBED CC(C)[C@@H](CCNC(=O)c1nnn(C)n1)NC(=O)C#CC1CC1 1756391283 OHCFMKZJGCMQKA-GFCCVEGCSA-N 318.381 -0.116 30 20 DBED C#CCOCCC(=O)N[C@H](C)CN(C)C(=O)[C@H](C)NC(C)=O 1756429600 RULSRWXJDVVUHD-NEPJUHHUSA-N 311.382 -0.486 30 20 DBED C=C[C@](C)(O)CC(=O)N(C)C[C@@H](C)NC(=O)CN(C)C(C)=O 1756448294 QAWNNAJJDWSBCG-ABAIWWIYSA-N 313.398 -0.245 30 20 DBED C=C1CC(C)(C(=O)NC[C@H](CO)NC(=O)CCn2cncn2)C1 1756549458 ZMJKFIULMDKAQR-GFCCVEGCSA-N 321.381 -0.382 30 20 DBED N#C[C@@H]1CN(c2cc(N3CCO[C@H](C#N)C3)ncn2)CCO1 1771658631 UCXAEALAJVQLCN-VXGBXAGGSA-N 300.322 -0.066 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)NCCS(=O)(=O)C2CC2)C1 1771744564 XWHDVVWGUKGDBO-GFCCVEGCSA-N 301.368 -0.376 30 20 DBED COc1cc(C(=O)N[C@H]2CNC[C@H]2C#N)ccc1OCC(N)=O 1771746112 FNTBTXIHJJUXSV-MNOVXSKESA-N 318.333 -0.599 30 20 DBED C=CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](N)CN)C2 1782197452 FZKOWFPSDOTRFU-WOSRLPQWSA-N 324.425 -0.638 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnc(C)nc1)CCO2 1783048163 QRZRWFMSYCSEAF-MRXNPFEDSA-N 314.345 -0.138 30 20 DBED CN1CCN(c2ccc(C/N=C(/N)N3CCOCC3)cn2)CC1 104159408 XZYHPHCAFLGHSK-UHFFFAOYSA-N 318.425 -0.020 30 20 DBED COc1ncc(NC(=O)N2CCO[C@@H](C#N)C2)cc1C(N)=O 268527473 HOYTWWCBNVIIDB-VIFPVBQESA-N 305.294 -0.055 30 20 DBED C=CCNC(=O)CNC(=O)[C@H](C)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 271990728 QHPSJFJDTDIHPZ-SRVKXCTJSA-N 321.377 -0.032 30 20 DBED CNS(=O)(=O)c1ccc(C(=O)N[C@](C)(C#N)COC)cn1 274685966 SRHJPKKNDOSGNU-GFCCVEGCSA-N 312.351 -0.352 30 20 DBED C#C[C@H](C)NC(=O)NCCS(=O)(=O)N1CCSCC1 274751228 FIQFJIRZJGDMSZ-JTQLQIEISA-N 305.425 -0.314 30 20 DBED C#CCOc1ccc(F)cc1NC(=O)C(=O)N1C[C@H](O)[C@H](O)C1 277515000 LEFZRWCHGHFFTL-TXEJJXNPSA-N 322.292 -0.660 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2CCO[C@@H](CC)C2)C1=O 298009948 ZCXTXCPEJQSFAY-QWHCGFSZSA-N 323.393 -0.131 30 20 DBED C=CCCO[C@@H](C)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 299290517 IOQCYYZGCUQNHA-LBPRGKRZSA-N 323.393 -0.083 30 20 DBED CN1C[C@@H](/N=C(/O)N2CCC3(CC2)N=C(O)N(C)C3=O)CC1=O 329375417 LILFOXIJIQZGKL-VIFPVBQESA-N 323.353 -0.648 30 20 DBED O=S(=O)([C@@H]1CCOC1)N1CCN(C/C(O)=N/C2CC2)CC1 329535994 ZVPNATYYMFVCOS-GFCCVEGCSA-N 317.411 -0.158 30 20 DBED CS(=O)(=O)N1CCC[C@@H]1C/N=C(/O)N[C@@H]1C=C[C@H](CO)C1 330419271 QGZQHMBLXYJXKR-QJPTWQEYSA-N 317.411 -0.149 30 20 DBED CN(C)C(=O)C/N=C(/O)c1coc(S(=O)(=O)N(C)C)c1 330482718 XOCVFHYPCMXIRK-UHFFFAOYSA-N 303.340 -0.077 30 20 DBED Cn1c(N2CCC[C@@]3(CCNC3)C2)c(C#N)c(=O)n(C)c1=O 333127886 AOHRCLLISOKTHD-HNNXBMFYSA-N 303.366 -0.464 30 20 DBED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CC[C@@](F)(CO)C2)n1 338905509 QJXRQMBPXAJUPP-AWEZNQCLSA-N 323.328 0.207 30 20 DBED CC#CCN(C)CC(=O)N(CCOC)[C@@H]1CCS(=O)(=O)C1 339759077 YYLJTKVEYUHFLQ-CYBMUJFWSA-N 316.423 -0.396 30 20 DBED C=CCOCC(=O)N1CC(C(=O)NC(CC)(CC)C(N)=O)C1 343681497 XEKHDMOFONOAMK-UHFFFAOYSA-N 311.382 -0.192 30 20 DBED Cn1cc(N2CCN(C(=O)c3cnn(C)c3C#N)CC2=O)cn1 356283185 PMNCEJJACHJZDQ-UHFFFAOYSA-N 313.321 -0.486 30 20 DBED C=CCNc1nnc(S(=O)(=O)CC(=O)N2CCC2)s1 358736513 UIMBHEJJEQCYJQ-UHFFFAOYSA-N 302.381 0.142 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N1CCC[C@@H](CC(N)=O)C1 410902911 AKNPUYCVUZEMBA-LBPRGKRZSA-N 311.382 -0.239 30 20 DBED C=CCn1cc(CNC(=O)Cn2c(C)cc(O)cc2=O)nn1 424908914 QRYYPQDPEYRUBW-UHFFFAOYSA-N 303.322 -0.044 30 20 DBED C=CC[C@H](CO)CNC(=O)NCC1CN(S(C)(=O)=O)C1 430138302 YFUOIUZULFXMKB-JTQLQIEISA-N 305.400 -0.638 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@@H](C)c2cnn(C)c2)CC1 531402090 VAMNRTSZSBZSMN-ZDUSSCGKSA-N 319.409 -0.030 30 20 DBED N#CC1(CS(=O)(=O)N[C@H](CC(N)=O)C(=O)O)CCCC1 548532830 OOKJQVWDPBCTPQ-MRVPVSSYSA-N 303.340 -0.682 30 20 DBED CC1CC(C#N)(C(=O)NCCCn2c(=O)ccn(C)c2=O)C1 564794457 ZAEJMTWQRPHRND-UHFFFAOYSA-N 304.350 -0.007 30 20 DBED O=C(C[C@H]1CS(=O)(=O)c2ccccc2O1)NCC#CCO 568879615 CGNAAYYAYOGNBL-NSHDSACASA-N 309.343 -0.277 30 20 DBED C[C@@H]1CN(S(=O)(=O)N2CCO[C@@H](C#N)C2)C[C@@]1(C)CO 595381899 LMOKKXPXZHXVMP-WOPDTQHZSA-N 303.384 -0.594 30 20 DBED N#CC1(CNC(=O)[C@H]2CCCN(S(N)(=O)=O)C2)CCC1 597785403 ZGRONMGDSRKLNJ-JTQLQIEISA-N 300.384 -0.288 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@@H](CCSC)C(N)=O 599403552 BLNCPZKNPGRUAH-UWVGGRQHSA-N 322.456 -0.091 30 20 DBED CCOC(=O)[C@H](CO)NC[C@H](O)COc1ccccc1C#N 600737673 ICOMUARAPGXEKF-STQMWFEESA-N 308.334 -0.188 30 20 DBED C=CCN(C(=O)[C@@H]1CCCN(S(N)(=O)=O)C1)[C@H](C)COC 617583996 UTANYHXEACPWGW-VXGBXAGGSA-N 319.427 -0.049 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@H](C)[C@@H](CO)C2)C1=O 622227012 DMPKXHJLVGVZGD-WDEREUQCSA-N 323.349 -0.560 30 20 DBED C=CCNC(=O)CS(=O)(=O)Cc1nnn(C(C)(C)C)n1 656177744 IYYUNLNETHWTGJ-UHFFFAOYSA-N 301.372 -0.355 30 20 DBED C=CCC[C@@H](CO)NC(=O)C(=O)Nc1ccnc(OCCO)c1 657995270 DIECCPLKMVDRKC-LBPRGKRZSA-N 323.349 -0.166 30 20 DBED O=C(NCC#CCNC(=O)c1cnns1)c1cnns1 680340475 GOHVRUDDGQQFEQ-UHFFFAOYSA-N 308.348 -0.447 30 20 DBED COC(=O)CCn1nc(C)c(C=NN2C(=O)CNC2=O)c1C 770608350 TVQRUBHAIXYNPG-UHFFFAOYSA-N 307.310 -0.051 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N1C[C@@H](C)O[C@@H](CO)C1 786807294 BEQKXWCSWRQOJC-GHMZBOCLSA-N 306.384 -0.622 30 20 DBED N#CCCNC(=O)COC(=O)[C@H]1COCCN1CC(F)F 786962492 WWGMHIXTMHKYJX-SECBINFHSA-N 305.281 -0.475 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)C1(S(C)(=O)=O)CCC1 796191877 CKUZPPPGBTXVML-UHFFFAOYSA-N 318.351 -0.491 30 20 DBED C#CCC[C@@H](O)CNC(=O)[C@](C)(O)Cn1c(C)cccc1=O 799069980 HAGHVGXTNJFNAT-CZUORRHYSA-N 306.362 -0.202 30 20 DBED C#CCC[C@H](O)CNC(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 799085268 OATCJMKYHCMYQV-YLXLXVFQSA-N 316.357 -0.316 30 20 DBED CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@@](C)(C#N)CC(=O)O)C1 820361252 XYRWJIPVAGCYIJ-BXKDBHETSA-N 317.367 -0.469 30 20 DBED C#C[C@H](C)NC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 820434876 BNAWJGGMHIYXGD-NSHDSACASA-N 320.349 -0.989 30 20 DBED Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1CCCN(O)C1=O 820482094 DHIMELICCIAUEC-VIFPVBQESA-N 311.298 -0.014 30 20 DBED CS(=O)(=O)Nc1ccccc1C(=O)N[C@H]1CNC[C@H]1C#N 843459678 GKDUNTUGNDXWCZ-SKDRFNHKSA-N 308.363 -0.101 30 20 DBED C=CCNC(=O)[C@H](C#N)C(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1 860471616 ODPNXYBQZXLIDF-ZYHUDNBSSA-N 315.333 -0.216 30 20 DBED CON=CC(=O)N1[C@@H](C)SC[C@H]1C(=O)NCCC(=O)OC 861984438 QMLMXIDBERNJRR-BDAKNGLRSA-N 317.367 -0.412 30 20 DBED C#CCN1CCN(C(=O)CSc2ncc(CCO)cn2)CC1 865392272 YQQBPHBFGXETOR-UHFFFAOYSA-N 320.418 -0.119 30 20 DBED C=CCN(CC(=O)N=S(C)(C)=O)[C@H]1CCS(=O)(=O)C1 878241738 JIGMDTWHBMYELY-JTQLQIEISA-N 308.425 -0.084 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N1CCC(C(=O)NOC)CC1 879923878 YNVNLCVHVNGKHT-SNVBAGLBSA-N 312.370 -0.224 30 20 DBED CN(C)C[C@@](C)(C#N)NC(=O)CN1CCCCS1(=O)=O 890886662 MXMCBCNEKWPQTN-GFCCVEGCSA-N 302.400 -0.628 30 20 DBED C#CCN(C)C(=O)[C@H](CC(N)=O)NC(=O)c1ccccc1F 907681289 DUAYUKRXBSZIQE-LBPRGKRZSA-N 305.309 -0.109 30 20 DBED C#CCN1CCC(NC(=O)c2ccc(-n3cnnn3)cn2)CC1 928648875 TVJNZSKBXWQFKI-UHFFFAOYSA-N 311.349 -0.115 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)c2cc(C(N)=O)ccn2)C1 938253222 KGEYODUZRZRRBS-ONGXEEELSA-N 315.333 -0.329 30 20 DBED C[C@H](C#N)C(=O)N1CCCN(C(=O)C[C@H]2CC(=O)NC2=O)CC1 941584058 WEMGVOPHFQZNEK-GHMZBOCLSA-N 320.349 -0.740 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCO[C@@H](CNC(=O)C2CC2)C1 944434809 ROSZITLTBZNNAO-GJZGRUSLSA-N 319.405 -0.162 30 20 DBED CN1CCC[C@@H]1C(=O)NC[C@H]1CN(C(=O)C#CC2CC2)CCO1 944513241 ITMANPUWQBIXLV-LSDHHAIUSA-N 319.405 -0.162 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@H]1CNC(=O)C1CS(=O)(=O)C1 950155654 MXJFCPRJPOYASH-NSHDSACASA-N 314.407 -0.040 30 20 DBED C[C@@H]1CN(C(=O)c2cnn[nH]2)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 951186095 PRRSRVUUANECPR-PRHODGIISA-N 313.321 -0.105 30 20 DBED C[C@H](C#N)C(=O)N1[C@H]2CCC[C@H]1CN(C(=O)Cn1ncnn1)C2 952720382 ZETABEUXAZMOLE-WOPDTQHZSA-N 317.353 -0.575 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(C)(NC(=O)[C@@H]2CCC(=O)N2)CC1 956436354 JDRGFMDIPAHDBI-QWRGUYRKSA-N 306.366 -0.078 30 20 DBED N#CCN1C[C@H](CNC(=O)c2ccc3c(c2)NC(=O)C3)[C@@H](O)C1 958082596 ZCJSFSUWPHZTJQ-JSGCOSHPSA-N 314.345 -0.273 30 20 DBED C=CCN1C[C@H](CNC(=O)c2ccc3nnc(O)n3c2)[C@@H](O)C1 958476701 OHEYXMOKBNXSOU-RYUDHWBXSA-N 317.349 -0.357 30 20 DBED Cc1c(C(=O)NC[C@H]2CN(CC#N)C[C@H]2O)nnn1C(C)C 958549471 XIWRCCJFUFOHMT-NWDGAFQWSA-N 306.370 -0.287 30 20 DBED Cc1nc(O)[nH]c1C(=O)N(C)[C@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1O 958871089 FXINQZHXYLJTPC-HGNGGELXSA-N 321.337 -0.773 30 20 DBED C=C(C)CCN1C[C@@H]2C(NC(=O)CN3CCOCC3=O)[C@H]2C1 960307932 NZAWBOHDLQUBGB-STQMWFEESA-N 307.394 -0.142 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H]2CN(C(=O)c3ccon3)C[C@@H]21 960879976 GUGHHBZPDIRPRP-ADEWGFFLSA-N 304.306 -0.114 30 20 DBED N#Cc1cc(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@H]3CCCO3)C2)c[nH]1 961390939 HSJXXZZUJHIGOG-FRRDWIJNSA-N 318.333 -0.633 30 20 DBED CCn1ccnc1C(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1O 962568737 VDHFREPAOLCTIE-AXFHLTTASA-N 305.338 -0.636 30 20 DBED CCN(C(=O)c1c[nH]c(C(N)=O)c1)C1CN(C(=O)[C@@H](C)C#N)C1 967987933 GQNVXBPYWSOBLF-VIFPVBQESA-N 317.349 -0.054 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@H](NC(=O)c2[nH]nnc2C)C1 969483009 BNRWLYWJYHVXAF-ZJUUUORDSA-N 307.354 -0.373 30 20 DBED COc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)o1 970059545 RLYXHACOFDKVMR-AEJSXWLSSA-N 307.306 -0.251 30 20 DBED C=CCn1cc(C(=O)N[C@H](C)C2CN(CC(=O)N(C)C)C2)nn1 970544249 IGBUELOMDNGDJH-LLVKDONJSA-N 320.397 -0.398 30 20 DBED C=CCN1C[C@H]2CC[C@H]1CN2C(=O)CN1CCN(C)C(=O)C1 971543410 YLUHXHYQVJPAQO-UONOGXRCSA-N 306.410 -0.378 30 20 DBED N#CCN1C[C@H]2CC[C@H]1CN2C(=O)CCc1nnc(O)nc1O 971556586 NOCSZPNFKLBDIO-VHSXEESVSA-N 318.337 -0.586 30 20 DBED N#CCN1CCO[C@]2(CCN(C(=O)[C@@H]3CCCNC3=O)C2)C1 972420408 URMMKEUCTICILL-IUODEOHRSA-N 306.366 -0.661 30 20 DBED O=C(CN1CCCC1=O)N[C@H]1[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]21 976142439 MPIYTNAGQVTQTQ-LAQFHYBYSA-N 315.373 -0.405 30 20 DBED C[C@H]1CC2(CCN(C(=O)C(N)=O)CC2)CN1C(=O)[C@H](C)C#N 982263847 KLIUDNHFPLKZAW-MNOVXSKESA-N 306.366 -0.139 30 20 DBED C=CCN[C@@H]1CCN(C(=O)CN2CCCS2(=O)=O)[C@H]1C 986335101 PTNOFBYCVHPRGI-NWDGAFQWSA-N 301.412 -0.213 30 20 DBED O=C(CN1CCCC1)N[C@H]1CCN(C(=O)C#CC2CC2)C[C@H]1O 991505439 QBCRPDZOCGGHSA-LSDHHAIUSA-N 319.405 -0.426 30 20 DBED C#Cc1ccc(C(=O)N2CC(NC(=O)c3[nH]nnc3C)C2)nc1 997340911 XQKROXIDOPCENQ-UHFFFAOYSA-N 310.317 -0.256 30 20 DBED CN(C)C(=O)Cn1cc(C(=O)N2CCC(NCC#N)CC2)nn1 997368890 WWIPKYGLXDFQGV-UHFFFAOYSA-N 319.369 -0.916 30 20 DBED C=C1CCC(C(=O)N2CC(NC(=O)[C@@H]3CNC(=O)N3)C2)CC1 998669799 JKOHWTBNGYEBDB-LBPRGKRZSA-N 306.366 -0.259 30 20 DBED C[C@@H](NC(=O)[C@@H]1CCCNC1=O)C1CN(C(=O)C#CC2CC2)C1 1006255487 HJTZXHIVMZFTRZ-BXUZGUMPSA-N 317.389 -0.111 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@H]1CN2C(=O)c1ncn(C)n1 1007299316 HFIPVWGEJKAQNV-GARJFASQSA-N 302.338 -0.210 30 20 DBED CC(=O)N1CCOC[C@H]1C(=O)N1CCN(C(=O)[C@@H](C)C#N)CC1 1011213753 PAWHDZRUOUULAV-AAEUAGOBSA-N 322.365 -0.936 30 20 DBED N#Cc1c[nH]c(C(=O)NC2[C@H]3CN(C(=O)c4cnon4)C[C@H]23)c1 1012914672 FZXOALMSWKPWBN-IUCAKERBSA-N 312.289 -0.230 30 20 DBED N#CCN1CCC2(CC1)C[C@@H]2NC(=O)CN1CCOCC1=O 1016660874 HQZMIEPMQXMOFH-LBPRGKRZSA-N 306.366 -0.661 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2ccn(C)n2)C1 1023647777 KDHHGYRAAOLBMV-CHWSQXEVSA-N 320.393 -0.137 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@]2(C)CCNC2=O)C1 1025676843 QBGQQVIWOVWJGJ-UVWXRNBGSA-N 323.393 -0.587 30 20 DBED C[C@H](C(=O)N1CCC[C@@H](N(C)CC#N)C1)N1C(=O)CCC1=O 1027433131 SLSGFQOJTFTPCZ-VXGBXAGGSA-N 306.366 -0.030 30 20 DBED C#CCN1CCC[C@@H]1CNC(=O)[C@@H]1CCc2nnnn2CC1 1028150438 QQIFCFVGIYUBFW-CHWSQXEVSA-N 302.382 -0.161 30 20 DBED C#CCN1CC[C@@H](CNC(=O)[C@H]2CCc3nnn(C)c3C2)C1 1028764274 BYKVSHUBWPLIQS-STQMWFEESA-N 301.394 -0.009 30 20 DBED C=CCN1CC[C@H](N(C)C[C@@H]2CCN(C(=O)CC(N)=O)C2)C1=O 1029682690 YIVLVNXMNJGMPM-STQMWFEESA-N 322.409 -0.571 30 20 DBED C=CCN1CC[C@@H](N(C)CC2CCN(C(=O)C(N)=O)CC2)C1=O 1029991019 YNOUNBMAWLNIPS-CYBMUJFWSA-N 322.409 -0.571 30 20 DBED C=CCN1CC[C@@H](N2CC(CNC(=O)c3cn[nH]c3)C2)C1=O 1031558869 QNRGNOKFRZLBFS-CYBMUJFWSA-N 303.366 -0.142 30 20 DBED C#CCCN1CC[C@@H]2CN(C(=O)Cn3c(O)nnc3O)CC[C@@H]21 1036880131 ZTKIOEKEXDIJAB-NEPJUHHUSA-N 319.365 -0.365 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCN1Cc1nnnn1C 1038807981 NTGAGFTXXXMIRJ-OBJOEFQTSA-N 320.397 -0.118 30 20 DBED CCn1ccnc1C(=O)NC[C@@]1(O)CCN(C(=O)[C@H](C)C#N)C1 1039582723 UKGGLYQKVKECDN-ABAIWWIYSA-N 319.365 -0.244 30 20 DBED C=CCCC(=O)N1CC[C@@](O)(CNC(=O)C2(C(N)=O)CC2)C1 1040738512 NQWGBEKEZREZHJ-CQSZACIVSA-N 309.366 -0.702 30 20 DBED Cc1cc(C#N)nc(N2C[C@@H](O)[C@H](NC(=O)c3ccon3)C2)n1 1040943126 PRTZQNGRCLRUFN-VXGBXAGGSA-N 314.305 -0.376 30 20 DBED Cc1ncc(C(=O)N[C@@H]2CN(c3ccnc(C#N)n3)C[C@H]2O)[nH]1 1040951994 MFDXPBSOWUEOSC-GHMZBOCLSA-N 313.321 -0.641 30 20 DBED CN1CC[C@H](C(=O)N[C@@H]2CN(c3ccc(C#N)nc3)C[C@H]2O)C1 1041048973 FFJRNUSFZXEAAQ-NILFDRSVSA-N 315.377 -0.429 30 20 DBED C#CCN1CC[C@@H]2CCN(C(=O)Cn3ccc(O)nc3=O)C[C@@H]21 1042143448 UQRPPLOWLGMSLW-OLZOCXBDSA-N 316.361 -0.495 30 20 DBED C[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1NC(=O)Cn1ncnn1 1042221415 FLMMYRNOTBKDCF-ZWNOBZJWSA-N 312.337 -0.419 30 20 DBED CC#CCCCC(=O)N1CC(O)(CNC(=O)c2ncc[nH]2)C1 1042936572 MGUGNXCRANQYIP-UHFFFAOYSA-N 304.350 -0.094 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)CC(C)(F)F)C1 1043036179 LMRHKZJCWUJGJM-UHFFFAOYSA-N 318.320 -0.239 30 20 DBED C#CCCCCC(=O)N1CC(O)(CNC(=O)c2nonc2C)C1 1043718319 ZLTWSXXHZAPADK-UHFFFAOYSA-N 320.349 -0.125 30 20 DBED N#Cc1cccnc1N1C[C@H](O)[C@H](NC(=O)c2cncnc2)C1 1043918643 RDUCMZZSSMCQSP-OLZOCXBDSA-N 310.317 -0.277 30 20 DBED Cc1conc1C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1044171331 DZYQQLFGXFFTES-MNOVXSKESA-N 314.305 -0.376 30 20 DBED CC#CCN1CC[C@@H](N2CCN(C(=O)c3cnn[nH]3)CC2)C1 1046043227 YXHKUQKUFAARMZ-CYBMUJFWSA-N 302.382 -0.340 30 20 DBED C=C[C@H](C)[C@H](C)C(=O)N1CC(O)(CNC(=O)Cc2nc[nH]n2)C1 1046910314 XMCYAVOGOXYLGG-QWRGUYRKSA-N 321.381 -0.505 30 20 DBED C=CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCS(=O)(=O)C2)C1 1047450520 ZNVLYKNHLVJMDC-AVGNSLFASA-N 316.423 -0.499 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2ncc(OC)cn2)C1 1047452357 KWSWWDZPATUHGO-STQMWFEESA-N 304.350 -0.374 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CN3CC4CC3(CO2)C4)C1 1047463789 SRGHYSXYJBXHJQ-WHJSIAKGSA-N 321.421 -0.461 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@]23CCCN(CC2)C3)C1 1047612171 YPMDHCNXLHXEKT-ZOBUZTSGSA-N 305.422 -0.001 30 20 DBED C=CCN1C[C@@H]2CCCN(C(=O)C[C@@H]3NC(=O)NC3=O)[C@@H]2C1 1050066786 MCQXWAPUWDQVQV-SDDRHHMPSA-N 306.366 -0.307 30 20 DBED C=CCOCC(=O)N1CC[C@@H]([C@H](C)NC(=O)Cn2cncn2)C1 1050313545 OJNYVEHEJYOYCQ-QWHCGFSZSA-N 321.381 -0.166 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1C 1051923399 XHUYBUCHCRUPAZ-RYUDHWBXSA-N 306.370 -0.150 30 20 DBED N#CCN1CCN([C@H]2CCN(C(=O)c3ccc(O)nn3)C2)CC1 1051977274 SADNDDOUNLBTPN-LBPRGKRZSA-N 316.365 -0.462 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC2(CN(Cc3nccn3C)C2)C1 1053193905 VBENJEPZIOMHEK-LBPRGKRZSA-N 303.366 -0.007 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)c3ccc(=O)n(CC)n3)CO2)C1 1053959706 GEGUEOZOEWTRGC-LBPRGKRZSA-N 316.361 -0.531 30 20 DBED C=CCCN1CC2(C[C@@H](NC(=O)Cn3c(O)nnc3O)CO2)C1 1053993849 VONIIVPXYRUMFY-SNVBAGLBSA-N 323.353 -0.775 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)Cn3ccccc3=O)CO2)C1 1054004605 RPJGUJUNUFXAOY-ZDUSSCGKSA-N 301.346 -0.559 30 20 DBED N#Cc1cncc(N2CCN(C(=O)[C@@H]3CCNC3=O)CC2)n1 1055973873 JLTYWDTZSWIUBM-LLVKDONJSA-N 300.322 -0.867 30 20 DBED N#Cc1nccc(N2C[C@H]3C(NC(=O)c4nccnc4N)[C@@H]3C2)n1 1056153195 QOKQSHSAAXOYNQ-RKDXNWHRSA-N 322.332 -0.415 30 20 DBED Cn1cncc1C(=O)NC1[C@@H]2CN(c3cnc(C#N)cn3)C[C@@H]12 1056334685 ALXLFVCDVQUGEJ-GHMZBOCLSA-N 309.333 -0.054 30 20 DBED C#CCO[C@H](C)C(=O)NCCN(CCO)C(=O)[C@@H](C)OCC 1057066030 UOXARAZKJUYBKB-CHWSQXEVSA-N 314.382 -0.613 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)c1ccnc(O)c1 1057331186 WKHPTXGAANJVTD-SNVBAGLBSA-N 306.322 -0.502 30 20 DBED C#CCO[C@H](C)C(=O)NCCN(CCO)C(=O)[C@@H]1CC1(F)F 1057508953 HLPKKZXTSCECEW-MNOVXSKESA-N 318.320 -0.383 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)[C@H]1CN2CCC1CC2 1057675192 KZPLBJGTCUPWIN-JSGCOSHPSA-N 322.409 -0.575 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)[C@@]12COC[C@@H]1C2 1057830843 UJZPLIUMGNPERD-BBRMVZONSA-N 308.378 -0.381 30 20 DBED C=CCCOCC(=O)N(CCO)CCNC(=O)[C@@H]1CCOC1 1057919053 KVIFCFHJVQFQGH-CYBMUJFWSA-N 314.382 -0.447 30 20 DBED C#CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)Cc1ccco1 1058518910 LXHXUUXMYINBLF-ZDUSSCGKSA-N 322.361 -0.203 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCN(CCO)C(=O)Cc1ncc[nH]1 1058550030 JLCCHGHELBISSR-OAHLLOKOSA-N 324.381 -0.784 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)c1ccc(F)cn1 1058653567 YXXYLRVJBAJCDQ-JTQLQIEISA-N 308.313 -0.069 30 20 DBED C[C@]1(C(=O)N2CC[C@H](N=c3cc[nH]cc3C#N)C2)CNC(=O)C1 1059008044 ZYXCZZSLIYUEKB-BLLLJJGKSA-N 313.361 -0.086 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](CCNC(=O)CCn2cnnn2)C1 1060285816 DYNDMMRHVRCJNZ-NWDGAFQWSA-N 319.369 -0.422 30 20 DBED C=CCOCC(=O)NC[C@@H]1COCCN1C(=O)C1=CCOCC1 1061423697 MIZCBANIMMQZBZ-CQSZACIVSA-N 324.377 -0.121 30 20 DBED C#CCOCCC(=O)NC[C@@H]1COCCN1C(=O)[C@H]1CCOC1 1061581811 UTVMBCLUEJQZQZ-UONOGXRCSA-N 324.377 -0.594 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)C(C)(C)C(N)=O 1061659583 ZNHAAAXINLSQLV-UWVGGRQHSA-N 310.354 -0.999 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(NC(=O)c2cnn[nH]2)CCC1 1062870178 VPPIJSFDQGGYNR-ZDUSSCGKSA-N 307.354 -0.100 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(NC(=O)CC(=O)NC)CCC1 1063041840 GFQUOBNNWOYTPU-NSHDSACASA-N 309.366 -0.684 30 20 DBED C=CCO[C@@H](C)C(=O)NCC1(NC(=O)Cn2ncnn2)CCC1 1063424409 RJIQEEKRBXLUFX-NSHDSACASA-N 322.369 -0.581 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H]1CCCN1C(=O)[C@@H]1CCNC1=O 1063538603 AOVIYLVBZSGXJS-CHWSQXEVSA-N 313.361 -0.086 30 20 DBED Cn1nnc(C(=O)N[C@@H]2[C@H]3C[C@H]2N(c2ccc(C#N)nc2)C3)n1 1064323748 ACMIIIVQCDAPGJ-XXILOJSOSA-N 310.321 -0.516 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CCCO2)CCO1 1064816414 AJEHMRUHEBOWMR-KGLIPLIRSA-N 324.377 -0.451 30 20 DBED N#CCSCC(=O)NC[C@H]1CN(C(=O)c2cnco2)CCO1 1065385119 LYNWHRSXJLIJRF-JTQLQIEISA-N 324.362 -0.111 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)[C@@H]2CCNC2=O)CCO1 1065422723 UCPRVDDCOLCGRY-QWHCGFSZSA-N 321.377 -0.875 30 20 DBED Cn1cc(C(=O)N[C@H]2C[C@H](CN=c3cc[nH]c(C#N)n3)C2)nn1 1068482838 MCELHFHBQFISBU-MGCOHNPYSA-N 312.337 -0.481 30 20 DBED C=CCCC(=O)N[C@@H]1COC2(C1)CN(C(=O)c1cnn[nH]1)C2 1068751811 SNGCBESAOFPKNF-JTQLQIEISA-N 305.338 -0.129 30 20 DBED Cc1nonc1C(=O)N1CC2(C[C@@H](NC(=O)[C@H](C)C#N)CO2)C1 1069009022 WWVXZUGFESKEDE-PSASIEDQSA-N 319.321 -0.363 30 20 DBED C#CCN[C@@H]1CN(C(=O)C[C@](C)(O)C2CC2)C[C@@H]1n1ccnn1 1070179767 FWYNCYIWECVHCQ-YCPHGPKFSA-N 317.393 -0.196 30 20 DBED Cn1cncc1C(=O)N1C[C@H](n2ccnn2)[C@H](NCC#N)C1 1070227332 ZMBAARPSQGTVOS-PWSUYJOCSA-N 300.326 -0.810 30 20 DBED C=CCN[C@@H]1CN(C(=O)c2cnc(O)n2C)C[C@@H]1n1ccnn1 1070249967 DRJAACKXTOELLA-PWSUYJOCSA-N 317.353 -0.442 30 20 DBED CC#CCCCC(=O)N[C@@H]1CCCN(C(=O)Cn2cnnn2)C1 1070412190 OSTOQJLZEQAERB-CYBMUJFWSA-N 318.381 -0.026 30 20 DBED Cn1cncc1[C@@H]1CN(C(=O)c2cnsn2)C[C@H]1NCC#N 1070624644 BCLKKFHIYJRTQX-MWLCHTKSSA-N 317.378 -0.007 30 20 DBED C#CCN1C[C@@H]2OC(=O)N([C@H]3CCN(C(=O)C(F)F)C3)[C@@H]2C1 1070898973 INROFYMHPLDUSW-AXFHLTTASA-N 313.304 -0.009 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)[C@@H]2CCC(=O)N2C)CC1 1070987207 VTGUXEJJMHYIIM-ZDUSSCGKSA-N 322.409 -0.556 30 20 DBED C[C@H]1CN(C(=O)CS(C)(=O)=O)C[C@]2(CCN(CC#N)C2)O1 1071143544 ARUHCFORNJNQSN-WCQYABFASA-N 315.395 -0.754 30 20 DBED C#CCN1CC[C@]2(C1)CN(C(=O)C1CN(C(C)=O)C1)C[C@@H](C)O2 1071159042 GPSWZXGCYIQVBH-DYVFJYSZSA-N 319.405 -0.210 30 20 DBED CC(=O)NCC(=O)N[C@H]1CN(C(=O)CSCC#N)C[C@H]1C 1071654368 GYOMYNBKGQOWFP-KOLCDFICSA-N 312.395 -0.658 30 20 DBED C[C@H]1CN(C(=O)CS(C)(=O)=O)C[C@@H]1NC(=O)C#CC1CC1 1071727188 VJFNGLFRXUEVHH-JQWIXIFHSA-N 312.391 -0.593 30 20 DBED C#CCOCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)c2cnon2)C1 1072101044 MGFVELIWUDHWLG-PWSUYJOCSA-N 306.322 -0.314 30 20 DBED C[C@H](C#N)C(=O)NC1(C)CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 1073224111 PLIAXKQPCCLYQE-ZJUUUORDSA-N 307.354 -0.675 30 20 DBED CC(C)S(=O)(=O)CC(=O)N[C@@H](C)CCNC(=O)[C@@H](C)C#N 1078133512 MVWIZUIAPOSSQL-QWRGUYRKSA-N 317.411 -0.020 30 20 DBED CC(C)C#CC(=O)N[C@@H](C)CCNC(=O)CN1C(=O)CNC1=O 1078582205 ZOIAFRYGFZZJCF-NSHDSACASA-N 322.365 -0.791 30 20 DBED C=CCOCC(=O)N(CC)C1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 1079493040 WJFPPSSSXQEWHZ-NEPJUHHUSA-N 309.366 -0.630 30 20 DBED C#CCOCCC(=O)NC1(CO)CCN(C(=O)COC)CC1 1080859463 SMDHZOUISRUWEH-UHFFFAOYSA-N 312.366 -0.858 30 20 DBED C=CCOCC(=O)N1CCC(CO)(NC(=O)[C@@H](C)C#N)CC1 1080980471 UZLDUEDGOVKSIU-LBPRGKRZSA-N 309.366 -0.182 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)Cn2cccn2)C[C@H]1O 1081463601 PQEGQRXNRPMKEF-UONOGXRCSA-N 318.377 -0.522 30 20 DBED C#CCN1CCC(C(=O)N[C@@H]2CN(CC#C)C[C@H]2OC)CC1 1082384484 YQFMTMWWAAUMLR-HZPDHXFCSA-N 303.406 -0.220 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H]2CN(CC(=O)N3CCCC3)C[C@@H]21 1083024130 BSNXFCLUQQUACY-MELADBBJSA-N 320.393 -0.320 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H]2CN(Cc3cncn3C)C[C@@H]21 1083026053 MHPOFSFBEIZGBN-KWCYVHTRSA-N 303.366 -0.009 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cnn(CC)n1 1083074397 SVCRWAHGRBCMBH-UONOGXRCSA-N 303.366 -0.154 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1ccc(C(N)=O)o1 1083137817 RXAAXJBOVFCBMN-JOYOIKCWSA-N 304.306 -0.573 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1ccc(OC)nn1 1083240470 ISDDJBCKUAOVID-QWHCGFSZSA-N 302.334 -0.356 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCCN(C(=O)CC)C2)C1 1083483848 LKEACJWKXHRMQO-KFWWJZLASA-N 321.421 -0.180 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2cnc3sccn3c2=O)C1 1083617949 KJHPVJKZNUVNOH-ZJUUUORDSA-N 319.346 -0.946 30 20 DBED C#CCN1CC[C@@H](NC(=O)Cn2cccc(C)c2=O)[C@@H](O)C1 1090266378 UTBKNNHPEYHBOM-KGLIPLIRSA-N 303.362 -0.659 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)C3(CF)CC3)C2)nn1 1090528475 UAKVWVVGSMKAOG-GHMZBOCLSA-N 305.313 -0.236 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2ccc3nn[nH]c3c2)[C@@H](O)C1 1090793764 HTQVZCMVGXAEBO-YPMHNXCESA-N 300.322 -0.354 30 20 DBED CC#CCN1C[C@@H]2CN(C(=O)[C@H]3CN(C)C(=O)N3)C[C@]2(C)C1 1091916342 GSBPFMVAHBAXCR-IOASZLSFSA-N 304.394 -0.186 30 20 DBED COCCN1C[C@@H](C(=O)NC[C@@H]2CN(CC#N)C[C@H]2C)CC1=O 1092654588 ZETQMTLEIUKOMT-HZSPNIEDSA-N 322.409 -0.311 30 20 DBED CN1C(=O)CC[C@@H]1C(=O)N1CCC(OC2CN(CC#N)C2)CC1 1093564300 ZLYAEXUVIMLBQZ-CQSZACIVSA-N 320.393 -0.177 30 20 DBED C[C@@H](CN1CCOCC1)C(=O)NCCNc1ccc(C#N)nn1 1093643793 YNNJANKCQDMPAS-LBPRGKRZSA-N 318.381 -0.155 30 20 DBED CC(C)(C(=O)NCCN=c1cc[nH]c(C#N)n1)N1CCOCC1 1093733746 VUWBQUAOZGCBHR-UHFFFAOYSA-N 318.381 -0.591 30 20 DBED CN1CC[C@@H](CC(=O)NCCNc2cncc(C#N)n2)C1=O 1093961267 WJQLWBKFLTXWAK-JTQLQIEISA-N 302.338 -0.255 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)Cc3cc(C)on3)CC2=O)C1 1094714501 XKKMCUGLCTZVIS-ZDUSSCGKSA-N 316.361 -0.440 30 20 DBED Cc1cnn(C)c1C(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1 1094772675 CUUCDARJZKQSJS-LLVKDONJSA-N 316.365 -0.733 30 20 DBED N#Cc1cncc(NCCCNC(=O)[C@@H]2CCC(=O)NC2)n1 1094884235 PIONSTIFRWBEBC-SNVBAGLBSA-N 302.338 -0.207 30 20 DBED Cc1ccc(C#N)c(N(C)CCCNC(=O)Cn2cnnn2)n1 1095485361 QVOFCVPBWGOTRN-UHFFFAOYSA-N 314.353 -0.109 30 20 DBED COC[C@@H](OC)C(=O)NCCCN(C)c1ccc(C#N)nn1 1095733787 MKVNDXADFLKCNF-GFCCVEGCSA-N 307.354 -0.048 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H]1CCN(C)S1(=O)=O 1096144488 PDZNXTFHRAKRIZ-MROQNXINSA-N 311.407 -0.625 30 20 DBED CCCC(=O)NCC(=O)N[C@@H]1CCN(c2ccnc(C#N)n2)C1 1096326926 GAKBKTRCTPMQEO-LLVKDONJSA-N 316.365 -0.041 30 20 DBED N#Cc1cnc(N2CC[C@H](NC(=O)CCNC(N)=O)C2)c(F)c1 1096377457 AMYMNANDAZHBHV-JTQLQIEISA-N 320.328 -0.154 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)C1CC1 1096809466 QZTZMFUEUPRPOR-DYEKYZERSA-N 313.361 -0.197 30 20 DBED C[C@@H](CNC(=O)CCn1ccnn1)Nc1cnc(C#N)cn1 1097779888 QMYIAKSAKFBPAW-JTQLQIEISA-N 300.326 -0.053 30 20 DBED C[C@H](CNC(=O)C1CC(=O)NC(=O)C1)Nc1ncccc1C#N 1097936256 DMIKGGYHEPWYMK-SECBINFHSA-N 315.333 -0.077 30 20 DBED C[C@H](CNC(=O)[C@@H]1CCS(=O)(=O)C1)Nc1nccnc1C#N 1098136533 IJWUNZAACXAVBR-NXEZZACHSA-N 323.378 -0.300 30 20 DBED C[C@H](CNC(=O)[C@]1(C)CNC(=O)C1)Nc1cncc(C#N)n1 1098153714 XAUSNULWIOJONA-OTYXRUKQSA-N 302.338 -0.209 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCC(=O)N1C)N=c1cc[nH]c(C#N)n1 1098230208 JIPZLPVCRHQYNK-VHSXEESVSA-N 302.338 -0.692 30 20 DBED C[C@@H](CCNC(=O)[C@@H]1CN(C)CCO1)Nc1ccc(C#N)nn1 1098998439 LOLHAWHEVJJPJK-AAEUAGOBSA-N 318.381 -0.014 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)c2cncs2)[C@H](O)C1 1099699471 ZCBNABCPNMTMDV-GHMZBOCLSA-N 322.390 -0.943 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)COCC=C)[C@@H](O)C1 1099741385 SERBTJURRKPMQL-STQMWFEESA-N 311.382 -0.957 30 20 DBED CCn1cc(CN2CC[C@H](NC(=O)C#CC3CC3)[C@H](O)C2)nn1 1099826307 JGWFZFSDWGYNAC-LSDHHAIUSA-N 317.393 -0.237 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)C2(C(N)=O)CC2)[C@H](O)C1 1099981331 NQVWUOIJMKSZKJ-VXGBXAGGSA-N 311.382 -0.994 30 20 DBED C=CCC(C)(C)C(=O)N[C@H]1CCN(Cc2nnn(C)n2)C[C@H]1O 1100020964 VUZZEMZKSHEGBM-NWDGAFQWSA-N 322.413 -0.136 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2nc(C)c[nH]2)[C@@H](O)C1 1100029619 QVPLBWVFHYNRAV-OLZOCXBDSA-N 306.366 -0.467 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2nocc2C)[C@H](O)C1 1100062513 VFOQQNNRYDPRNH-CHWSQXEVSA-N 307.350 -0.202 30 20 DBED CC#CCN1CC[C@H](NC(=O)CCCC(=O)NCC)[C@H](O)C1 1100078182 DXHXGGDRAZFWRQ-UONOGXRCSA-N 309.410 -0.133 30 20 DBED CCN(CCNC(=O)C[C@H](C)NC(N)=O)c1ccnc(C#N)n1 1100621827 PSSZOVPZHPLGHO-JTQLQIEISA-N 319.369 -0.262 30 20 DBED COCC#CCN1C[C@@H]2CN(C(=O)[C@H]3CCNC3=O)C[C@]2(C)C1 1101320358 KYHYMMQLCBGCEZ-KEYYUXOJSA-N 319.405 -0.447 30 20 DBED COc1cc(C(=O)N(C)CCN=c2cc[nH]c(C#N)n2)on1 1101577895 KIIUQZDJSGYLQN-UHFFFAOYSA-N 302.294 -0.049 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)Cc2ccon2)C1 1101841111 BALNMVHCVAYWQA-CHWSQXEVSA-N 318.377 -0.349 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H]1CN(CCC[C@H](C)O)C[C@H]1C 1101900377 MCJJULUWLOWEHY-QLFBSQMISA-N 323.437 -0.029 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)[C@H]1CCNC(=O)C1 1103911302 SYYFOIZLGFNNPY-QWRGUYRKSA-N 316.365 -0.539 30 20 DBED C[C@@H]1CN(C(=O)CN(C)S(C)(=O)=O)C[C@H]1CCNCC#N 1104258053 QPANLPOVJBQKKC-VXGBXAGGSA-N 316.427 -0.524 30 20 DBED C=CCCNCc1cn(C2CN(C(=O)[C@@H]3COCCO3)C2)nn1 1105164672 JAPQISIBLYODCJ-AWEZNQCLSA-N 321.381 -0.258 30 20 DBED C#CCNCc1cn(C2CN(C(=O)[C@H]3C[C@@H](C)CO3)C2)nn1 1105285990 ZYTJEDJWWVDXEM-BXUZGUMPSA-N 303.366 -0.191 30 20 DBED C#CCN[C@@H]1C[C@@]2(C[C@H]1O)CN(C(=O)CNC(N)=O)[C@@H]2C(C)C 1105594921 XJNQRGLYOCRCNA-ZNEHSRBWSA-N 322.409 -0.746 30 20 DBED C#CCCN[C@@H]1C[C@]2(C[C@H]1O)CN(C(=O)CC(N)=O)[C@@H]2C(C)C 1105610589 LHRNWQKEZBQGID-KFZJALRRSA-N 321.421 -0.149 30 20 DBED CN1CCO[C@@H](C(=O)NC[C@H](O)CNc2ccc(C#N)nc2)C1 1105768819 ASUAXAVKKMSVFU-ZIAGYGMSSA-N 319.365 -0.827 30 20 DBED N#Cc1cnc(NC[C@@H](O)CNC(=O)Cc2nc[nH]n2)c(F)c1 1105960041 XBJKLDYNTRHHJD-VIFPVBQESA-N 319.300 -0.658 30 20 DBED COCC1(C(=O)NC[C@@H](O)CN=c2cc[nH]cc2C#N)CC1 1106023447 WMXGCZNGTWGFKB-LBPRGKRZSA-N 304.350 -0.309 30 20 DBED N#Cc1nc(=NC[C@H](O)CNC(=O)[C@H]2Cc3ccccc32)cc[nH]1 1106090758 BILMXRQZDGRKFO-JSGCOSHPSA-N 323.356 -0.001 30 20 DBED C[C@H](CCNc1nccnc1C#N)NC(=O)[C@@H]1CCC(=O)N1 1106393333 LSZVWYHCRUUPMT-ZJUUUORDSA-N 302.338 -0.066 30 20 DBED C=CCNC(=O)CNC[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1C 1106607410 XKMINMHIMWJVBC-VXGBXAGGSA-N 322.409 -0.762 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)CCc1nc[nH]n1 1106714379 OIDYKDGBKXTMNK-UHFFFAOYSA-N 314.353 -0.219 30 20 DBED N#Cc1cncc(NC/C=C\CNC(=O)CCNC(N)=O)n1 1107189208 DQQWWPBDPDALPC-UPHRSURJSA-N 303.326 -0.509 30 20 DBED CSCC(=O)NC[C@]1(C)CN(CC(=O)NCC#N)CCO1 1107720752 QNFHIYNKEDYUKH-CYBMUJFWSA-N 314.411 -0.804 30 20 DBED N#CCN1CC(N2C[C@@H](NC(=O)CCc3ccon3)CC2=O)C1 1108555635 UFTBVJGZHYJFPL-LBPRGKRZSA-N 317.349 -0.468 30 20 DBED Cc1cc(N(C)C[C@H](C)NC(=O)CNC(N)=O)c(C#N)cn1 1108816059 JDEHIMSNMUYCKX-JTQLQIEISA-N 304.354 -0.129 30 20 DBED C[C@@H](CN(C)c1nccnc1C#N)NC(=O)CN1CCOCC1 1108904231 UWHLDOHABBRQQA-LBPRGKRZSA-N 318.381 -0.379 30 20 DBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H]1COCCO1 1108954521 NWARPTVDUNLOIR-ZOBORPQBSA-N 323.393 -0.575 30 20 DBED N#Cc1cnc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)CCCC(N)=O)cn1 1109711326 DGCLKFZHVZGKKA-VPJDZLOFSA-N 314.349 -0.303 30 20 DBED COC[C@H](C)C(=O)NC[C@H]1COCCN1c1ccnc(C#N)n1 1111666014 UDQVWMNDIJSODW-RYUDHWBXSA-N 319.365 -0.048 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCN(CCS(C)(=O)=O)CC1 1112844774 FSYXVZWXZNLNCQ-LBPRGKRZSA-N 302.396 -0.787 30 20 DBED CC(C)[C@@H]1CCO[C@@H]1C(=O)N1CCN(CC(=O)NCC#N)CC1 1112862267 BNOOHEYZMUTRKR-ZFWWWQNUSA-N 322.409 -0.169 30 20 DBED C[C@@H](NC(=O)Cn1ncnn1)[C@@H](C)Nc1ccc(C#N)nn1 1113193904 MWMCFCYMQIUCQE-RKDXNWHRSA-N 301.314 -0.660 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3coc(C)c3)[C@H]2C1 1114174339 RIFBPLNMUXYLMS-STQMWFEESA-N 301.346 -0.003 30 20 DBED N#Cc1ccc(N2C[C@@H]3C(CNC(=O)Cn4ncnn4)[C@H]3C2)nc1 1114576666 KBLXDRCGNAVJTP-CHWSQXEVSA-N 324.348 -0.562 30 20 DBED C#CCCN1C[C@H]2[C@H](NC(=O)[C@@H](CCC)S(N)(=O)=O)[C@H]2C1 1114622165 YGRRCYBCJGSZQM-XQHKEYJVSA-N 313.423 -0.487 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1[C@@H]2CN(CCOCCO)C[C@@H]21 1114857052 QGQCEQYZMPGZBR-MRLBHPIUSA-N 310.394 -0.367 30 20 DBED CN(CCOCCNC(=O)CNC(N)=O)c1ccc(C#N)nc1 1115166879 ARJKFLLSYOOGKO-UHFFFAOYSA-N 320.353 -0.809 30 20 DBED C[C@@H](CN(C)C(=O)Cn1cncn1)Nc1nccnc1C#N 1115731297 RNLQRIJJORWXGW-JTQLQIEISA-N 300.326 -0.101 30 20 DBED C[C@@H]1C(=O)NCCN1C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1116040826 YKZYJBNJCCYOAJ-JLDYROKLSA-N 321.337 -0.957 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1118225331 DGYDVMKXCVHYRO-WWGRRREGSA-N 321.377 -0.039 30 20 DBED N#Cc1ccsc1NC(=O)C(=O)N1CCC(O)(CO)CC1 1118508139 VGNNJMFXYWBMHV-UHFFFAOYSA-N 309.347 -0.096 30 20 DBED N#CC1CCC(CNC(=O)C(=O)NC[C@@H]2COCCN2)CC1 1118920486 ZHXVHOXASHMOLT-WXRRBKDZSA-N 308.382 -0.463 30 20 DBED CC(C)[C@H](N)CNC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1119293891 JCXYUUOBRRNHGN-CHWSQXEVSA-N 307.398 -0.715 30 20 DBED C[C@H](CN(C)C(=O)Cn1nccn1)Nc1cncc(C#N)n1 1120201040 XDDOSEOPVXDCON-SNVBAGLBSA-N 300.326 -0.101 30 20 DBED C[C@H](O)CN1CCN(C(=O)C(=O)N2CCC[C@H](C#N)C2)CC1 1120394356 GYWMGMRRVARLOR-QWHCGFSZSA-N 308.382 -0.726 30 20 DBED Cc1[nH]nc(C(=O)NC[C@H](CO)N=c2cc[nH]c(C#N)n2)c1C 1121251108 SBVCBKPNXIQYFT-SNVBAGLBSA-N 315.337 -0.687 30 20 DBED CCCN(C)CC(=O)NC[C@@H](CO)N=c1cc(C)[nH]cc1C#N 1121887553 HYSYEJSDXHAMMS-AWEZNQCLSA-N 319.409 -0.086 30 20 DBED COCCCOCC(=O)NC[C@H](CO)Nc1ccc(C#N)nn1 1122052238 GUOMMHBHJAQEOZ-GFCCVEGCSA-N 323.353 -0.710 30 20 DBED CCO[C@@H](C(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1)C1CC1 1122118463 CNQRQESQIYXSIH-SMDDNHRTSA-N 319.365 -0.526 30 20 DBED CC#CCCCC(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1 1122371614 DTMAHNMXTITTTL-LBPRGKRZSA-N 301.350 -0.147 30 20 DBED CN1CC[C@@H](C(=O)NC[C@@H](CO)Nc2ncccc2C#N)C1=O 1122430499 OQGWGFLXNRSYJK-RYUDHWBXSA-N 317.349 -0.679 30 20 DBED CN1CCCC[C@@H]1C(=O)NC[C@H](CO)N=c1cc[nH]cc1C#N 1122860095 BQOICSANSVWOAY-UKRRQHHQSA-N 317.393 -0.252 30 20 DBED C[C@@H]1[C@H](Nc2nccnc2C#N)CCN1C(=O)CCNC(N)=O 1123012277 IGGJDDPCIWDGDK-NXEZZACHSA-N 317.353 -0.192 30 20 DBED C=CCOCC(=O)N(C)C[C@H](O)CNc1cnc(C#N)cn1 1124196394 KYZXIMYZPSYNKP-GFCCVEGCSA-N 305.338 -0.218 30 20 DBED C=CCCO[C@@H](C)C(=O)NCCNC[C@H](O)COCCOC 1124488767 UHUACGNSZOOMSV-KBPBESRZSA-N 318.414 -0.303 30 20 DBED CN(C)C(=O)CC(=O)N(C)C[C@H](O)CNc1cnc(C#N)cn1 1124797706 IBFZTFHRBKOUOU-LLVKDONJSA-N 320.353 -0.942 30 20 DBED CN(C[C@@H](O)CN(C)c1nccnc1C#N)C(=O)CC(C)(C)O 1125099822 FOKRNMYSGYLCGI-LLVKDONJSA-N 321.381 -0.235 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)c2cnnn2CC)C1=O 1126721993 TVBKETFOAHCXPU-NSHDSACASA-N 306.370 -0.596 30 20 DBED CCCCNC(=O)NC(=O)CNCCNC(=O)C#CC1CC1 1126885830 LMEOSCFNOOMULL-UHFFFAOYSA-N 308.382 -0.269 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@@H]1C[C@@H]2CCCCN2C1 1127257008 UVQOOASEXBBHRI-KGLIPLIRSA-N 306.410 -0.684 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1c(Cl)cnn1C 1127458784 OYZHCCDEAUCLGJ-VIFPVBQESA-N 311.773 -0.469 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1c(C)nnn1CC 1129276005 ZYAXELLMEUSLBR-LLVKDONJSA-N 306.370 -0.936 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1cnc2ccccn12 1130594254 YNKKNUMLFRZLQB-UHFFFAOYSA-N 300.322 -0.707 30 20 DBED C=CCCN1CCNC(=O)CCN(C(=O)CNC(=O)CC)CC1 1131339877 UXVVUJSYXQYWEX-UHFFFAOYSA-N 324.425 -0.261 30 20 DBED COCC#CCN1C[C@@H](NC(=O)CNC(=O)OC)CC[C@H]1C 1131843859 OLNNNHXLQCNRKE-OLZOCXBDSA-N 311.382 -0.039 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)c1c(C)ncnc1O 1132715470 QGBNGVWCWQVZED-SNVBAGLBSA-N 307.354 -0.499 30 20 DBED C#CCNC(=O)CNCCNC(=O)Cn1cc2ccccc2n1 1148268945 FPZVREJRZYCAEK-UHFFFAOYSA-N 313.361 -0.509 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN([C@H](C)C(N)=O)CCCO1 1149721188 JOLGMRAEJHBFFE-CHWSQXEVSA-N 311.382 -0.893 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1cn2ccccc2n1 1149897323 KLXGWHQGARXUMU-GFCCVEGCSA-N 313.361 -0.208 30 20 DBED C=CCN1CCCO[C@H](CNC(=O)CCS(C)(=O)=O)C1 1149904380 SLNKYAIVSJLQHQ-GFCCVEGCSA-N 304.412 -0.186 30 20 DBED C=CCO[C@H](C)C(=O)NCCNC[C@@H](C)CS(C)(=O)=O 1153160271 PSTIIVYJQJJWHE-VXGBXAGGSA-N 306.428 -0.036 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)CCOCCOC)C1=O 1153218743 GQJKRQKLTMOWEB-CYBMUJFWSA-N 313.398 -0.468 30 20 DBED C#CCNC(=O)CC(=O)NCCCNCc1nccn1CC 1156852431 DGPDCPNSCNZDON-UHFFFAOYSA-N 305.382 -0.362 30 20 DBED C#CCO[C@@H](C)C(=O)NCCCNCC(=O)Nc1ccon1 1157880526 PZCBGQKWGONDJX-NSHDSACASA-N 308.338 -0.253 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)C(=O)NCC(F)F 1161575584 IQPHVTBNOXRFSD-VIFPVBQESA-N 320.340 -0.846 30 20 DBED COc1ccc(C(=O)NCCCNCC(=O)NCC#N)cn1 1162119737 SGYGWVZAPGMIIU-UHFFFAOYSA-N 305.338 -0.561 30 20 DBED C=CCNC(=O)[C@@H](C)NCC1(CCNC(=O)c2cnn[nH]2)CC1 1165956389 YPRVGWZXNYYBHQ-LLVKDONJSA-N 320.397 -0.015 30 20 DBED C#CCNC(=O)CNCCCC[C@H](C)NC(=O)C(C)(C)C(N)=O 1171367621 OKDQMFUYMQTCLJ-LBPRGKRZSA-N 324.425 -0.488 30 20 DBED C[C@H](CCCCNCC(=O)NCC#N)NC(=O)Cc1nc[nH]n1 1176095064 CFGYUGZCXPMMOZ-LLVKDONJSA-N 321.385 -0.748 30 20 DBED C#CCNC[C@H]1C[C@H]2CC[C@H]1N(C(=O)C1CC(=O)NC(=O)C1)C2 1177908503 YQAZCJYJPAROHA-MRVWCRGKSA-N 317.389 -0.111 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)CCn2cncn2)C1 1181005793 DIAPTGSFIPOQJZ-CHWSQXEVSA-N 320.397 -0.451 30 20 DBED C[C@H]1CN(C(=O)Cn2ccc(O)nc2=O)CC[C@H]1CNCC#N 1184748701 VEMIJXRBYZWUJT-RYUDHWBXSA-N 319.365 -0.453 30 20 DBED C#CCNC[C@@H]1CN(C(=O)Cn2cnnn2)CC12CCOCC2 1186245006 DRUKFVOYNPBSTB-CYBMUJFWSA-N 318.381 -0.849 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)CCCCC(=O)NC)C1 1188272237 FCSKBMRKKNTBDG-CYBMUJFWSA-N 322.409 -0.767 30 20 DBED CN(CC(=O)NCC#N)[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 1189564865 HYSVOSSNAWCDQY-LBPRGKRZSA-N 314.349 -0.328 30 20 DBED C#CCCN(C)[C@@H]1CCN(C(=O)CCNS(C)(=O)=O)C1 1190465080 ZONHLLYADCHLAS-GFCCVEGCSA-N 301.412 -0.518 30 20 DBED C=CCOCCCC(=O)N[C@@H]1CN(CC(=O)N(C)C)C[C@H]1O 1192054019 HCCFHOBOPMEPQG-CHWSQXEVSA-N 313.398 -0.781 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(C[C@H]2CCCOC2)C[C@H]1O 1192886715 XHRIILWZCPYGKI-RBSFLKMASA-N 310.394 -0.386 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2ccn(CC)n2)C[C@H]1O 1192890926 DVRUPBAMQWQVNJ-HUUCEWRRSA-N 320.393 -0.396 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2cncs2)C[C@H]1O 1192891540 NOQOMDXALJTECM-RAIGVLPGSA-N 309.391 -0.157 30 20 DBED COCCCNC(=O)CCC(=O)N1CC[C@H](N(C)CC#N)C1 1193384031 ZZAZYXVJSUNBPN-ZDUSSCGKSA-N 310.398 -0.024 30 20 DBED C=C(C)C(C)(C)C(=O)N[C@@H]1CN(Cc2nc(O)n[nH]2)C[C@H]1O 1195255621 WRDDZGYBSPTGFD-NXEZZACHSA-N 309.370 -0.226 30 20 DBED C[C@@]1(C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@H]2O)C=CCC1 1195318423 IBESXBHNCGKTKR-LALPHHSUSA-N 306.366 -0.856 30 20 DBED C=C[C@H](CC)CC(=O)N[C@@H]1CN(Cc2nnnn2C)C[C@H]1O 1195554688 NFVNGWNSSSFGQE-IJLUTSLNSA-N 308.386 -0.526 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)Cn2ccc(C)n2)C1 1196243593 ZMKLKXJRLROGEB-ZIAGYGMSSA-N 308.382 -0.445 30 20 DBED CC(C)(C)CCC(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1O 1197074043 JQMLIEKULGZYOD-VXGBXAGGSA-N 310.398 -0.386 30 20 DBED N#CCNC(=O)CNC1CCN(C(=O)c2ccc(O)nn2)CC1 1199177294 CMOIBIYISZKYIN-UHFFFAOYSA-N 318.337 -0.984 30 20 DBED C=CCOCCNC1CCN(C(=O)CN2CCNC(=O)C2)CC1 1201941734 UEWAMWNYMJUCQO-UHFFFAOYSA-N 324.425 -0.799 30 20 DBED C=CCNC(=O)[C@H](C)NC1CCN(C(=O)Cn2cncn2)CC1 1203617055 CHTHPERDRFAMMH-LBPRGKRZSA-N 320.397 -0.451 30 20 DBED COCC#CCNCC1CCN(C(=O)[C@@H]2CCNC(=O)C2)CC1 1204956223 KCNOOWYUESKMSA-OAHLLOKOSA-N 321.421 -0.009 30 20 DBED N#CCNC(=O)CNCC1CCN(C(=O)c2ccnnc2)CC1 1206380620 QNZREHQLWOGOGV-UHFFFAOYSA-N 316.365 -0.442 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)c2cncn2C)C1 1208504619 KQNCYLYLEHQKFD-GFCCVEGCSA-N 305.382 -0.084 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)Cc2cnoc2)C1 1209212269 AAHZZVWBYJMEIS-TZMCWYRMSA-N 318.377 -0.064 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCCN(C(=O)c2n[nH]cc2F)C1 1209504227 QZFKQUZAYAZYDA-MNOVXSKESA-N 321.356 -0.119 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@H](CC)NC(C)=O)C1 1209756252 UIXPTXFGHSXFOK-KGLIPLIRSA-N 322.409 -0.769 30 20 DBED C=CCCN[C@H]1CCCN(C(=O)[C@@H](CCC(N)=O)NC(C)=O)C1 1210154161 HWOVBOOJJBREJU-UONOGXRCSA-N 324.425 -0.087 30 20 DBED C=CCOCCN[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@H]1C 1215010714 ZOOFRHOTOVXTPD-CHWSQXEVSA-N 323.397 -0.779 30 20 DBED CCN(CCC#N)C(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H](C)C#N)C1 1219379764 YGOPMFXWBAFNHY-XQQFMLRXSA-N 321.381 -0.930 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2cc(C)no2)C[C@@H]1O 1219603357 YMSUSMKPERKDCB-YUTCNCBUSA-N 307.350 -0.317 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1CN(CCOC)C[C@@H]1O 1220488421 ZEXSMXLLOWULPF-MJBXVCDLSA-N 313.398 -0.735 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)[C@@H](NC(N)=O)C(C)(C)C)C1 1220759994 VKYLDBUDKUKQTM-GRYCIOLGSA-N 312.414 -0.193 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)CO[C@H](C)c2nccn2C)C1 1220866254 KXVLMFGZTCWLCJ-MCIONIFRSA-N 320.393 -0.318 30 20 DBED C#CCOCCC(=O)N1C[C@H]2CCN(CC(=O)NCC)C[C@H]21 1221544948 OPVTWVHZQBZDCP-ZIAGYGMSSA-N 307.394 -0.305 30 20 DBED C#CCN[C@H]1CCCN(C(=O)CCNC(=O)[C@@H]2CCCO2)C1 1222123457 QXGKVHDVBJCVJF-KBPBESRZSA-N 307.394 -0.115 30 20 DBED COCC#CCN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1COC(=O)N1 1225969167 FWVZITQURVCHBM-JHJVBQTASA-N 309.366 -0.238 30 20 DBED C=CCN1CCS(=O)(=O)[C@@H](CCNC(=O)CC(C)(C)O)C1 1230455334 RHOHTAOFNOKOQT-LBPRGKRZSA-N 318.439 -0.061 30 20 DBED CN(C[C@H]1CCN1CC(=O)NCC#N)C(=O)CCc1ncc[nH]1 1234013099 SYHAHKIMIQBTPR-GFCCVEGCSA-N 318.381 -0.485 30 20 DBED CN(C[C@H]1CCN1CC#N)C(=O)CN1CCCS1(=O)=O 1235052548 QAGRVHFIMILALC-LLVKDONJSA-N 300.384 -0.922 30 20 DBED COCC#CCN1CC[C@H]1CN(C)C(=O)c1cncnc1O 1235650421 FUUQICYUYKGROR-LBPRGKRZSA-N 304.350 -0.022 30 20 DBED CC(C)(O)CCNC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1261926191 JHRPFNKJUXKTJP-GFCCVEGCSA-N 308.382 -0.538 30 20 DBED C=CCn1cc(Cn2nnnc2N2CCN(C(=O)CC)C2)nn1 1262467199 IMFRYJCLUVIHIQ-UHFFFAOYSA-N 317.357 -0.485 30 20 DBED CNC(=O)NC(=O)[C@@H](C)N1CC[C@@H](NC(=O)C#CC(C)C)C1 1267741184 MSYKRDXMYZROTL-VXGBXAGGSA-N 308.382 -0.320 30 20 DBED C[C@H](C#N)CNC(=O)C(=O)Nc1ccc(OCC(N)=O)cc1 1320598414 RHCQHGCCDQIIOA-SECBINFHSA-N 304.306 -0.235 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N[C@@H](C)CN1CCCC1=O 1321873820 HTFHBQSWUZISBV-ZDUSSCGKSA-N 303.362 -0.401 30 20 DBED N#CCN1CCC(NC(=O)NC[C@H]2CCCS2(=O)=O)CC1 1324566006 KHKKNHFHKZUIPB-GFCCVEGCSA-N 314.411 -0.149 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCC[C@@H](C(=O)OCC)C1 1324878724 QUIXOAAOWKFKQP-GFCCVEGCSA-N 310.350 -0.446 30 20 DBED N#Cc1cccc(NC(=O)C(=O)NCCN2CCOCC2)n1 1326036954 CQPDOUHRUSJVLW-UHFFFAOYSA-N 303.322 -0.660 30 20 DBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCCCC(=O)NC 1327702789 UOGUPXAEOVBQQV-AAEUAGOBSA-N 311.382 -0.274 30 20 DBED C=C(C)CN(C)C(=O)C(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 1328458578 ZFLJRYLACCNEOZ-LLVKDONJSA-N 317.411 -0.581 30 20 DBED COC(=O)c1cnn(C)c1NC(=O)C(=O)N(C)C[C@H](C)C#N 1330361485 IHHJERKLQTYOSR-MRVPVSSYSA-N 307.310 -0.237 30 20 DBED C#CCSCC(=O)N1CCN(C(=O)N2CCOCC2)CC1 1331901147 SHMMDXINGZSNPU-UHFFFAOYSA-N 311.407 -0.051 30 20 DBED C=C(CC)CNC(=O)C(=O)NCCS(=O)(=O)N1CCCC1 1341563290 KVJCQPFGDRBEHU-UHFFFAOYSA-N 317.411 -0.389 30 20 DBED CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)C[C@@H](C)O1 1345965449 IIIYXFWXFHBXMJ-JMSVASOKSA-N 309.366 -0.111 30 20 DBED C#CC1CCN(C(=O)C(=O)N2CCO[C@H](CC(=O)OC)C2)CC1 1345966975 WMIPLNIWNMUFME-CYBMUJFWSA-N 322.361 -0.351 30 20 DBED C[C@@H]1CC(=O)NN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1362057479 OAIDMXYRMHCWGO-MRVPVSSYSA-N 322.346 -0.623 30 20 DBED COC(=O)[C@@]1(NC(=O)CNc2ccc(C#N)cn2)CCOC1 1362421807 UVLZJPOMGRFQCT-CQSZACIVSA-N 304.306 -0.187 30 20 DBED CCC(=O)NCC(=O)N(C)C[C@@H](C)NC(=O)c1c[nH]c(C#N)c1 1370465966 XPFSIPFXEKRYNM-SNVBAGLBSA-N 319.365 -0.011 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)C3(NC(N)=O)CC3)[C@@H]2C1 1371547809 DWKFIPXWGXLYNS-GMTAPVOTSA-N 319.365 -0.594 30 20 DBED CCN(CCC#N)C(=O)CN1CC(NC(=O)c2cn(C)cn2)C1 1373421297 WSSKUFLCOADNDD-UHFFFAOYSA-N 318.381 -0.404 30 20 DBED C=C(Cl)CN(C)C[C@@H](C)NC(=O)C[C@H](NC(C)=O)C(N)=O 1375119067 NUWPSARPBTZMHN-KOLCDFICSA-N 318.805 -0.445 30 20 DBED C=C(Cl)CN1CCOC[C@H]1CNC(=O)CNC(=O)OC 1393505819 ZKPUVSBWZRQTNY-SNVBAGLBSA-N 305.762 -0.088 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)[C@H](C)CS(C)(=O)=O)C1 1397223061 ZCKUPCNFDRFSSU-VLEAKVRGSA-N 315.395 -0.410 30 20 DBED CCN(C(=O)[C@H](C)C#N)[C@H](C)CNC(=O)[C@@H]1CC(=O)NC(=O)N1 1406087839 ZBGUOHPFKWFBED-BBBLOLIVSA-N 323.353 -0.903 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CCN(C(=O)c2cc(=O)n(C)cn2)C1 1407133099 XQWMWFREENPVSF-NXEZZACHSA-N 303.322 -0.729 30 20 DBED CCc1c(C(=O)NC[C@H](O)CNC(=O)[C@@H](C)C#N)nnn1CC 1410166264 NSIIYHLCAKLUOE-VHSXEESVSA-N 322.369 -0.773 30 20 DBED N#CC[C@]1(O)CCN(C(=O)c2ccc(S(N)(=O)=O)nc2)C1 1413178672 KFUWNOKNIFSMIJ-LBPRGKRZSA-N 310.335 -0.780 30 20 DBED C[C@H](C#N)C(=O)N1CC(CNC(=O)[C@@H](NC(N)=O)C(C)(C)C)C1 1416107449 LYSHRKDFGHCJMD-MWLCHTKSSA-N 323.397 -0.196 30 20 DBED CCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@]1(O)CCOC1 1417502129 KSOGXUWAGQOWIJ-FZMZJTMJSA-N 307.354 -0.279 30 20 DBED N#C[C@@H]1CCCN(C(=O)c2cn(C[C@H]3CNC(=O)O3)nn2)C1 1419382152 XXLGJHYPDVOTEN-VHSXEESVSA-N 304.310 -0.238 30 20 DBED CCN(CCC#N)C(=O)CN1CC(CNC(=O)c2cnn[nH]2)C1 1421136126 KDBMYJPEHWFURE-UHFFFAOYSA-N 319.369 -0.772 30 20 DBED N#Cc1ccc(S(=O)(=O)N2C[C@@H](CO)[C@@H](CO)C2)c(F)c1 1424535531 HMSGJLSCGZJGHP-PHIMTYICSA-N 314.338 -0.081 30 20 DBED CC(=O)N(C)CC(=O)N1[C@H]2CC[C@H]1CN(C(=O)[C@@H](C)C#N)C2 1430050304 UITZGEKTTWELEE-DRZSPHRISA-N 306.366 -0.174 30 20 DBED CCN1CCOC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H](C)C#N)C1 1430179971 IFXFZOGANAPXCR-CYDGBPFRSA-N 308.382 -0.370 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCNC(=O)c1cnc2c(c1)nnn2C 1431375830 WASPZJXDLXZUPI-VIFPVBQESA-N 315.337 -0.289 30 20 DBED N#Cc1ccc(NCC(=O)NC[C@H](O)CN2CCCC2=O)nc1 1433799218 YEWKDHJGYGUVLF-LBPRGKRZSA-N 317.349 -0.535 30 20 DBED COC(=O)C[C@H](O)CNS(=O)(=O)c1ccccc1CC#N 1434585529 CWJHLIVOBNFIGZ-NSHDSACASA-N 312.347 -0.045 30 20 DBED CNS(=O)(=O)CCC(=O)N(C)C[C@@H](C)NC(=O)[C@@H](C)C#N 1451029662 SXMACCCRGIECOC-VHSXEESVSA-N 318.399 -0.952 30 20 DBED COCC(=O)NCC1(O)CN(Cc2cc(C#N)ccc2OC)C1 1484254066 FLVPUQOXWYLXRH-UHFFFAOYSA-N 319.361 -0.124 30 20 DBED CO[C@H](C)c1noc(CN2CC(O)(CNC(=O)[C@H](C)C#N)C2)n1 1500805952 BUDNHHAUSZGSIM-NXEZZACHSA-N 323.353 -0.400 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H](C)CNC(=O)COCc1nncn1C 1509062645 GVTWQHDTTHASRW-GHMZBOCLSA-N 322.369 -0.546 30 20 DBED Cc1cc(COCC(=O)NC[C@H](O)CNC(=O)[C@H](C)C#N)no1 1533286720 HMUODDXYACNSSD-SKDRFNHKSA-N 324.337 -0.747 30 20 DBED C#CCNC(=O)CN[C@@H](C)CCNC(=O)c1cc(OC)ncn1 1570459078 ITLKJEIMAPEQFF-NSHDSACASA-N 319.365 -0.667 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H](C)C1CN(C(=O)CNC(=O)O)C1 1573311259 KYTPJMGGIKRDCH-VHSXEESVSA-N 311.338 -0.745 30 20 DBED C#CC[C@H](CCOC)NC(=O)NCc1nc(O)cc(CN)n1 1574504779 NGNLOSUFCFMHNT-SNVBAGLBSA-N 307.354 -0.132 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@@H](NCCc2cnn[nH]2)C1 1574986361 ZYVCCUFEEUFEOM-CABCVRRESA-N 316.409 -0.365 30 20 DBED C#C[C@H](CO)NC(=O)Nc1cc(-c2nn[nH]n2)ccc1OC 1588327246 FLBIJEHWAFJQCS-SECBINFHSA-N 302.294 -0.009 30 20 DBED C[C@H](CS(C)(=O)=O)Nc1cnc(-c2nn[nH]n2)c(C#N)n1 1589889001 NWDXGBMAYNMEEH-ZCFIWIBFSA-N 308.327 -0.627 30 20 DBED CN(CC(=O)N1CCCC1)c1cnc(-c2nn[nH]n2)c(C#N)n1 1591038210 LAQNQYOXKNAPFN-UHFFFAOYSA-N 313.325 -0.413 30 20 DBED CCOC(=O)CCCS(=O)(=O)N(CC#N)CCC(=O)O 1605536887 LIWURNBFHDXIED-UHFFFAOYSA-N 306.340 -0.040 30 20 DBED CO[C@]1(C(=O)O)CCN(C(=O)C(=O)N2CCC(C#N)CC2)C1 1606690752 CSJADMKUUGWSKU-CQSZACIVSA-N 309.322 -0.549 30 20 DBED N#CCSCC(=O)NCC1(NC(=O)[C@@H]2C[C@@H]2C(=O)O)CC1 1608186712 FHGRJWNEHDEIOM-BDAKNGLRSA-N 311.363 -0.271 30 20 DBED N#Cc1ccc(NCCNC(=O)Cn2cc(C(=O)O)nn2)nc1 1608208903 RCZIQVBHFSIDRR-UHFFFAOYSA-N 315.293 -0.529 30 20 DBED N#CCNC(=O)Cn1cc(-c2nn[nH]n2)c(=O)c2ccccc21 1609496137 OYWCMGYSAJJLFZ-UHFFFAOYSA-N 309.289 -0.179 30 20 DBED C[C@@H](C(=O)N1CC(O)(CC#N)C1)S(=O)(=O)C1CCOCC1 1647170980 KHYDMZWLHZFDHJ-JTQLQIEISA-N 316.379 -0.544 30 20 DBED C#CCCCC(=O)N[C@H]1CCCN(CC(=O)NC(=O)NC)C1 1713795827 HWGHALYMEMAJOU-LBPRGKRZSA-N 308.382 -0.174 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)c2csc(O)n2)C1 1713929139 OSVVLVLAKJFGID-VIFPVBQESA-N 310.379 -0.045 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)C2=CCOCC2)C1 1751797569 DFVLZHDIFFNIKQ-GXTWGEPZSA-N 305.378 -0.339 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C1CCN(CCOCCO)CC1 1752299343 CXHDEFPYJBABHL-CQSZACIVSA-N 312.410 -0.044 30 20 DBED C[C@H](C#N)C(=O)NCCCN1CCN(Cc2ncnn2C)CC1 1752341680 MTWMHPJHZFTNSE-CYBMUJFWSA-N 319.413 -0.401 30 20 DBED C#CCNC(=O)[C@@H](C)NCCN(C)C(=O)[C@H](C)Cc1cnc[nH]1 1753239986 FSHVREZISWQFIN-CHWSQXEVSA-N 319.409 -0.226 30 20 DBED C=CCNC[C@H](C)N(C)C(=O)c1cn(CC(=O)N(C)C)nn1 1753729175 HUXBXDXSDYGVAF-NSHDSACASA-N 308.386 -0.398 30 20 DBED C#Cc1ccc(C(=O)NC[C@H](O)CNCC#CCOC)nc1 1753933912 QNKMKPMXOOTMOF-CQSZACIVSA-N 301.346 -0.607 30 20 DBED COCC#CCNC[C@@H](C)NC(=O)c1cc(=O)c(OC)c[nH]1 1754234248 QSZGLJWFXLNURL-LLVKDONJSA-N 307.350 -0.259 30 20 DBED C=CCNC(=O)[C@@H](C)NC[C@H](C)NC(=O)CC1OCCCO1 1754264793 AAWNCPVJZKBNSN-NWDGAFQWSA-N 313.398 -0.076 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@]1(C)CCN(CCn2cncn2)C1 1754670019 KHRZOEIURHCLEJ-HIFRSBDPSA-N 305.382 -0.103 30 20 DBED CC#CCN1CC[C@@](O)(CNC(=O)COCc2nccn2C)C1 1754754728 QMCCOPQUJVMSBO-MRXNPFEDSA-N 320.393 -0.487 30 20 DBED COc1c(O)nc(O)nc1C(=O)N1CC[C@H]([C@H](C)NCC#N)C1 1754805908 VCPJALBDXSGANV-IUCAKERBSA-N 321.337 -0.140 30 20 DBED C=CCCN1CC2(CC[C@H](CNC(=O)Cn3cnnn3)O2)C1 1755053673 YTSZONHRVWHNIH-GFCCVEGCSA-N 306.370 -0.401 30 20 DBED O=C(C#CC1CC1)N[C@@H]1COC2(C1)CN(Cc1nc(O)n[nH]1)C2 1755061459 KNNKCYZFMWHGRZ-NSHDSACASA-N 317.349 -0.617 30 20 DBED C#CCCN1C[C@@H](NC(=O)CCn2ncn(C)c2=O)C(C)(C)C1 1755410538 UNQGTHHHLQDIAX-CYBMUJFWSA-N 319.409 -0.178 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1[C@H]2CN(Cc3nnn(C)n3)C[C@H]12 1755419732 HRDFQNBXTXZWQL-JMSVASOKSA-N 320.397 -0.669 30 20 DBED C#CCNC(=O)CNCCC[C@@H](C)NC(=O)c1cnc(C)[nH]1 1755489919 GOHWUNQOXNVTPE-LLVKDONJSA-N 305.382 -0.044 30 20 DBED C=CCNC(=O)CN1CC[C@]2(NC(=O)CC(N)=O)CCC[C@H]12 1755694602 ANYUJYSUBFPROH-XHDPSFHLSA-N 308.382 -0.723 30 20 DBED CN(C(=O)Cc1ccn(C)n1)C1CC(NCC(=O)NCC#N)C1 1755856856 PMECHYNYSBBOMY-UHFFFAOYSA-N 318.381 -0.819 30 20 DBED C=C(C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCNC2=O)C1 1757007150 DVVYGTWPJYWYDE-JHJVBQTASA-N 323.393 -0.443 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)NC1CCN(CC(=O)O)CC1 1776215366 PHHATJYHKZYFFM-SNVBAGLBSA-N 318.399 -0.539 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnc(C)cn1)CCO2 1783047869 KPHHLTYQPOZAJH-MRXNPFEDSA-N 314.345 -0.138 30 20 DBED C[C@H](O)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)S)CCO2 1783523992 MNDTXGNEGYMKJS-KWBADKCTSA-N 302.396 -0.485 30 20 DBED N#CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=COCC1)C2 1795084780 RZOXWRHAMDJCBA-DABQJJPHSA-N 305.334 -0.206 30 20 DBED CC(C)[C@H](S)C(=O)N1CCCC12CN(C(=O)[C@@H](N)CN)C2 1841624953 DEAMQEDLKQVHQO-QWRGUYRKSA-N 314.455 -0.570 30 20 DBED N#CCC(=O)N1CCCC12CN(C(=O)CN1CCOCC1)C2 1842621762 JZCLSVJTFJTADM-UHFFFAOYSA-N 306.366 -0.564 30 20 DBED COC[C@H](C)C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846194673 CZIPFFJUTLJJFX-NSHDSACASA-N 308.334 -0.440 30 20 DBED N#Cc1ccc(N2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)nc1 60481114 JINGMIQMKPEFPI-OLZOCXBDSA-N 322.390 -0.767 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@H](C)C[C@H]2CN)C1=O 261848781 QGCOZLUPBSBSJW-MNOVXSKESA-N 322.365 -0.451 30 20 DBED C#CCNC(=O)CN1CCN(c2ccc([N+](=O)[O-])cn2)CC1 263652050 BTHZDXKZVDGYOW-UHFFFAOYSA-N 303.322 -0.139 30 20 DBED C#CCNC(=O)c1ccc(N2CCO[C@@H](CNC(C)=O)C2)nc1 265500613 XRBFLWSQNXSQHL-AWEZNQCLSA-N 316.361 -0.214 30 20 DBED Cc1ccc(C#N)c(N2CCN(C(=O)Cn3cnnn3)CC2)n1 286076000 JKYPRNDLCIVGDC-UHFFFAOYSA-N 312.337 -0.403 30 20 DBED CN1CCO[C@@H]2CN(/C(O)=N/CC3([S@](C)=O)CC3)C[C@@H]21 329622259 RSYGSBMYOWQLRC-JHTDMNASSA-N 301.412 -0.174 30 20 DBED C[C@H](C/N=C(/O)N1CCN2CCOC[C@@H]2C1)N1CCOCC1 329842186 NRSIHGYHYKHEKT-KGLIPLIRSA-N 312.414 -0.363 30 20 DBED CC(C)N1CC[C@H](N/C(O)=N/[C@@H](C)C(=O)NCCF)C1=O 330433525 XOAITBKMEYLUJW-UWVGGRQHSA-N 302.350 -0.027 30 20 DBED CN(CCC#N)S(=O)(=O)NCC1(CS(C)(=O)=O)CC1 331735010 AHHCEPQQDIZXAB-UHFFFAOYSA-N 309.413 -0.509 30 20 DBED CCOC(=O)[C@H](CO)NS(=O)(=O)N(CC)C[C@H](C)C#N 336955197 YGBADDMNVPKXIE-ZJUUUORDSA-N 307.372 -0.774 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)CN(C)S(=O)(=O)CC)C1=O 337040787 AXXAIWGXSZZEIO-LLVKDONJSA-N 317.411 -0.487 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N1C[C@H](O)C[C@H]1C(=O)OC 337055826 CAGCZLKAQSGYJJ-MXWKQRLJSA-N 319.383 -0.679 30 20 DBED CN(C)[C@H]1CCCN(S(=O)(=O)N2CCO[C@H](C#N)C2)C1 337071198 OQOUYFMKAZCTKV-NWDGAFQWSA-N 302.400 -0.518 30 20 DBED O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NCC#CCO 339391697 FFFJNBWFMUJDQT-GVXVVHGQSA-N 311.407 -0.176 30 20 DBED COC[C@H]1CCN1C(=O)C(=O)Nc1nn(C(C)C)cc1C#N 342961974 VOAMSRREMQSOHW-LLVKDONJSA-N 305.338 0.521 30 20 DBED COCCn1cc(S(=O)(=O)N2CCOC[C@H]2C#N)cn1 351698665 CAFMZVAJNDNRQR-SNVBAGLBSA-N 300.340 -0.557 30 20 DBED N#CCNC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 353777361 CQFMHXMTJQEHPY-SECBINFHSA-N 322.346 -0.673 30 20 DBED N#CCNC(=O)CNC(=O)N1CCN(c2ccccn2)CC1 358316150 RHUWFOKTRKRATM-UHFFFAOYSA-N 302.338 -0.447 30 20 DBED C=CCNC(=O)[C@H](C)N1CCC[C@@H](C(=O)N2CCNCC2)C1 430665898 NOCJEMGFUOHFMS-UONOGXRCSA-N 308.426 -0.179 30 20 DBED COCCN(CCC#N)S(=O)(=O)NC[C@@H](C)CN(C)C 490046961 SDMROYLGQLLUJA-GFCCVEGCSA-N 306.432 -0.119 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)CSCC(C)=O)CC1 491473165 BHWWQBZVCBXHHU-UHFFFAOYSA-N 311.407 -0.798 30 20 DBED N#Cc1cc(N2CCN(C(=O)C(=O)N3CCCC3)CC2)ncn1 521344482 XEDMXYBGYXCGBY-UHFFFAOYSA-N 314.349 -0.381 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N1C[C@@](C)(CO)[C@@](C)(CO)C1 528542613 SSWVYRSSGKIXHK-RWMBFGLXSA-N 319.427 -0.365 30 20 DBED CC(C)(C#N)NC(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 540972719 DPVGYAJUCYBUDH-CNVPUSNMSA-N 305.334 -0.043 30 20 DBED N#Cc1cccc(S(=O)(=O)NCC(=O)Nc2nc[nH]n2)c1 566848845 SYXGSBXKVDQISZ-UHFFFAOYSA-N 306.307 -0.407 30 20 DBED COC(=O)[C@@H]1C[C@@H](O)CN(S(=O)(=O)N(C)[C@H](C)CC#N)C1 592111818 CVOQXOOADKHBMB-GMTAPVOTSA-N 319.383 -0.679 30 20 DBED CCN(CC(=O)N1CCN(CC(=O)N(C)C)CC1)[C@@H](C)C#N 595812389 KEEAWFSGNFUVMM-ZDUSSCGKSA-N 309.414 -0.547 30 20 DBED N#Cc1sccc1N1CCN(c2nc(=N)[nH]c(=N)[nH]2)CC1 599101116 HSYVFNLMQZCJMI-UHFFFAOYSA-N 302.367 -0.043 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)[C@@H](CCC)S(N)(=O)=O)C1=O 614393920 LIKXYUZTHFOAGB-GHMZBOCLSA-N 317.411 -0.311 30 20 DBED CN1CCN(c2ncc(C=NN3CC(=O)N(C)C3=O)cn2)CC1 768380736 UNRIXGZSWCDKTG-UHFFFAOYSA-N 317.353 -0.544 30 20 DBED CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)OC(=O)Cn1ncn(C)c1=O 781265205 AUCMSYRZHMXXDC-YGRLFVJLSA-N 323.353 -0.432 30 20 DBED C#CCC[C@H](O)CNC(=O)NC1CCN(CC(=O)NC)CC1 798365536 UKFOLIGTDBXECN-ZDUSSCGKSA-N 310.398 -0.730 30 20 DBED C#CCNC(=O)[C@@H](C)OC(=O)[C@H]1COCCN1CC(F)(F)F 801340758 NMNPSCJSROPGSU-NXEZZACHSA-N 322.283 -0.069 30 20 DBED Cn1nc(C(=O)NCCn2cnc(C#N)n2)c2ccccc2c1=O 803552206 YIVKJGFXNWCEIA-UHFFFAOYSA-N 323.316 -0.173 30 20 DBED C=C[C@H](O)C(=O)OCC(=O)Nc1ccc(S(N)(=O)=O)cc1 814548106 NYUZUTMJFIOGEO-JTQLQIEISA-N 314.319 -0.637 30 20 DBED CCS(=O)(=O)N(C)CCCNC(=O)[C@](C)(C#N)CC(=O)O 820391987 RVWUZDMJUKXPPG-LBPRGKRZSA-N 319.383 -0.221 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CO[C@@H](C)C2)CC1 831568269 CVLBUMMASKIFIH-RYUDHWBXSA-N 315.395 -0.977 30 20 DBED CC#CC[C@H](CO)NC(=O)[C@@H](O)[C@@H](O)c1nc2ccccc2[nH]1 844113747 WUMLIUXSEYEGHA-HONMWMINSA-N 317.345 -0.152 30 20 DBED C=CCS(=O)(=O)CCNC(=O)c1ccn(CCN(C)C)n1 847707808 PITJEZARQFKIJA-UHFFFAOYSA-N 314.411 -0.225 30 20 DBED C[C@@](C#N)(NC(=O)COC(=O)[C@H]1CCCS1(=O)=O)C1CC1 848861685 RWNLNZZZFWAXIU-MFKMUULPSA-N 314.363 -0.085 30 20 DBED C=CCN(C(=O)[C@H]1CCOC(=O)N1)[C@@H]1CCS(=O)(=O)C1 858679890 JXJRGIXJFCJWAM-NXEZZACHSA-N 302.352 -0.313 30 20 DBED C#CC[C@@H](CCOC)NC(=O)N1CCC[C@H](S(N)(=O)=O)C1 859019483 RLUAZFUMNSFOLJ-RYUDHWBXSA-N 317.411 -0.123 30 20 DBED COC(=O)C[C@@H](O)CNS(=O)(=O)c1cccc(F)c1C#N 859343636 CLGXKQBFRXNNGX-MRVPVSSYSA-N 316.310 -0.100 30 20 DBED C#CCCN1CCC(NC(=O)CN2CC(=O)N(C)C2=O)CC1 859524957 NTHDUBXDDUJZOO-UHFFFAOYSA-N 306.366 -0.516 30 20 DBED C#CC[C@@H](CCOC)NC(=O)NCCCS(=O)(=O)NC 868940371 AYNYBIGDTDPOIX-NSHDSACASA-N 305.400 -0.347 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N[C@@H]1CCn2ccnc2C1 875337555 UQYUFBCACBUUCM-QWHCGFSZSA-N 318.377 -0.141 30 20 DBED C#CC1(O)CN(C(=O)Cc2cccc(NS(C)(=O)=O)c2)C1 890522104 CIANMWSUWOYLQL-UHFFFAOYSA-N 308.359 -0.193 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)c2nnn(C(C)(C)C)n2)C1 938077565 BKSSJPMDHHLZHS-UWVGGRQHSA-N 319.369 -0.082 30 20 DBED CC(=O)N1CC(C(=O)N(C)[C@H]2CCN(C(=O)[C@@H](C)C#N)C2)C1 939394977 BHMRZCSLDGAEBZ-GWCFXTLKSA-N 306.366 -0.316 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@H](CNC(=O)c2csnn2)C1 944681126 JZNCZDIYMWUDIJ-RKDXNWHRSA-N 309.351 -0.345 30 20 DBED C=CCCN1CCC2(CC1)CN(C(=O)[C@H]1CNC(=O)N1)CCO2 949174595 YHDWJPPSELVMJA-CYBMUJFWSA-N 322.409 -0.063 30 20 DBED C#CCN1CCOC2(CCN(C(=O)[C@H]3CCC(=O)N3C)CC2)C1 949447627 WLOZEUVBHLANPZ-CQSZACIVSA-N 319.405 -0.066 30 20 DBED C#Cc1cncc(C(=O)NC[C@@H]2CCN2C(=O)c2ncn(C)n2)c1 952011896 GAOGSQJMLSKDAN-ZDUSSCGKSA-N 324.344 -0.164 30 20 DBED C#CCCN1C[C@H](CNC(=O)c2cnn3c2CCC3)[C@@H](O)C1 958121948 NPMNYGKBRJIBAV-WFASDCNBSA-N 302.378 -0.125 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2ccc(NC(C)=O)cn2)C1 958122718 ZWDRKCGBUBPWQZ-IUODEOHRSA-N 316.361 -0.304 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2CN(CCCO)C[C@H]2O)cn1 958603632 ZWCOBDOLTFXVPQ-UKRRQHHQSA-N 303.362 -0.532 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](CNC(=O)c2cc(C(N)=O)ccn2)C1 958768962 CXQBAJTXJZGLKT-OCCSQVGLSA-N 318.377 -0.221 30 20 DBED C=CCN1C[C@H]2[C@H](NC(=O)[C@H]3CC(=O)N(CCOC)C3)[C@H]2C1 960167945 QKZDBDSASNWVHA-RMRHIDDWSA-N 307.394 -0.286 30 20 DBED C#CCN1C[C@H]2[C@H](NC(=O)c3ccc(-n4ccnc4)nn3)[C@H]2C1 962024060 ZMTDEUCNHHKWLF-JYAVWHMHSA-N 308.345 -0.045 30 20 DBED Cc1cc(C(=O)NC[C@@H]2COCCN2C(=O)[C@@H](C)C#N)n(C)n1 964099784 KBPJWMGWOVVFFW-CMPLNLGQSA-N 319.365 -0.155 30 20 DBED C[C@H](C#N)C(=O)N1CC2(C[C@H](NC(=O)Cc3cc[nH]n3)CO2)C1 965663776 UGHSSBTXOSTTTL-PWSUYJOCSA-N 317.349 -0.402 30 20 DBED C=C(C)C(C)(C)C(=O)N1CC(N2CCN(C(=O)C(N)=O)CC2)C1 967252597 LLMYPZUTVYJMOZ-UHFFFAOYSA-N 322.409 -0.571 30 20 DBED CCCc1n[nH]cc1C(=O)N[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1O 968679829 SNEWOKBCSQSVKM-WQAKAFBOSA-N 319.365 -0.177 30 20 DBED C=C(Cl)CN[C@@H]1CCN(C(=O)[C@@H]2CCN(C)S2(=O)=O)C1 970239667 NLEJFIHVJALZPD-MNOVXSKESA-N 321.830 -0.037 30 20 DBED C=C(C)CN1CC([C@@H](C)NC(=O)C2CC3(C2)NC(=O)NC3=O)C1 970566366 HJUYEZQSLONHKZ-VHTNMKBUSA-N 320.393 -0.013 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@@H]3CN(C(=O)CC(N)=O)[C@@H]3C2)[nH]1 971610097 OADMKUQWJXKGIA-BXKDBHETSA-N 315.333 -0.565 30 20 DBED C#CCCN1CCO[C@@]2(CCN(C(=O)[C@@H]3CC(=O)N(C)C3)C2)C1 972410355 VKAZAVGDUCFTJB-PBHICJAKSA-N 319.405 -0.209 30 20 DBED COc1nn(C)cc1C(=O)N1CC[C@@]2(CN(CC#N)CCO2)C1 972495259 ZYXUPCYBBUWTEM-OAHLLOKOSA-N 319.365 -0.131 30 20 DBED C[C@@H]1[C@H](NCC#N)CCN1C(=O)c1ccc(-n2cnnn2)cn1 986604248 XGKBQHCIKYZAKJ-ZYHUDNBSSA-N 312.337 -0.227 30 20 DBED C=CCN[C@H]1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)[C@H]1C 987187075 AFYZSTRCCMVMOX-RYUDHWBXSA-N 306.366 -0.308 30 20 DBED C#CCN1CCC(C(=O)N2CC[C@H](NCC(N)=O)[C@H]2C)CC1 987577611 VGDCUXDMVJDCDM-OCCSQVGLSA-N 306.410 -0.604 30 20 DBED C#Cc1cncc(C(=O)N2CC(NC(=O)C3=COCCO3)C2)c1 990142356 SBTDNIXSAVOHHF-UHFFFAOYSA-N 313.313 -0.108 30 20 DBED C=C1CCC(C(=O)N2CC(NC(=O)Cn3cnnn3)C2)CC1 990192338 LLYKONBWGHFABX-UHFFFAOYSA-N 304.354 -0.254 30 20 DBED CC(=O)N1CC(C(=O)NC2CN(C(=O)c3cc(C#N)c[nH]3)C2)C1 991043634 MMQORPDEEYVCJF-UHFFFAOYSA-N 315.333 -0.695 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CCN(C(=O)C(F)F)C[C@H]2O)c[nH]1 991402395 SMTPDKMZGWYTNN-NXEZZACHSA-N 312.276 -0.157 30 20 DBED C#CCCN1CCC[C@H](NC(=O)Cn2ncn(C)c2=O)[C@H]1C 993515663 SURMZJNIUIZHKF-OLZOCXBDSA-N 305.382 -0.426 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](NCCN2C(=O)CNC2=O)C(C)(C)C1 995566954 VHFWDNWFTHRSBZ-MNOVXSKESA-N 321.381 -0.476 30 20 DBED C=CCn1cc(C(=O)N2CC(NC(=O)[C@@H]3C[C@@H](C)CO3)C2)nn1 997524787 OKFURPCHGHJBFS-MFKMUULPSA-N 319.365 -0.170 30 20 DBED C[C@H](C#N)C(=O)N1CC([C@@H](C)NC(=O)c2c[nH]c(C(N)=O)c2)C1 1006116285 HQYNXVPXJHHIOR-RKDXNWHRSA-N 317.349 -0.150 30 20 DBED C=C1CC(C)(C(=O)NC2[C@H]3CN(C(=O)c4nnn(C)n4)C[C@H]23)C1 1013750336 OKDDEJSVFRHQFP-UWVGGRQHSA-N 316.365 -0.247 30 20 DBED N#Cc1cc(C(=O)N[C@]23CCC[C@H]2N(C(=O)C(N)=O)CC3)c[nH]1 1014252896 ZDTPMRLAYPQTAV-ABAIWWIYSA-N 315.333 -0.375 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(CN(C(=O)Cc3nc[nH]n3)C2)C1 1019465189 ZEZGGWWELITKHM-JTQLQIEISA-N 302.338 -0.432 30 20 DBED O=C(C#CC1CC1)N1CCC2(C1)CN(C(=O)Cc1nc[nH]n1)C2 1019465216 ZYXDJNRMWYBAAN-UHFFFAOYSA-N 313.361 -0.179 30 20 DBED Cn1nnnc1CN[C@H]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 1020055328 MJSJOMAUDZMWHP-MGCOHNPYSA-N 300.326 -0.540 30 20 DBED Cn1c(C(=O)N[C@H]2C[C@@H](NCC#N)C2)c2n(c1=O)CCCC2 1022720762 JFATXFDRVAPTIH-PHIMTYICSA-N 303.366 -0.103 30 20 DBED C#CCN1CCC[C@@H](CNC(=O)c2cnc(O)n(C)c2=O)C1 1023528838 RMWWDQVLXNZBJA-NSHDSACASA-N 304.350 -0.439 30 20 DBED CC1(C)C(=O)NC(=O)N1CC(=O)NC1CCC(NCC#N)CC1 1026588082 YLSLQOHRSLIXEG-UHFFFAOYSA-N 321.381 -0.143 30 20 DBED C#CCCN1CCO[C@@H](CNC(=O)[C@@H]2COCCN2CC)C1 1035423004 KJLDCBAOLOKWSC-GJZGRUSLSA-N 309.410 -0.453 30 20 DBED CC#CCN1CCO[C@@H](CNC(=O)c2cnc(OC)nc2)C1 1035569048 HHVQJJHFWGHYHP-ZDUSSCGKSA-N 304.350 -0.061 30 20 DBED C#CCCN1C[C@H]2C[C@H]1[C@H]2NC(=O)Cn1nc(C)n(C)c1=O 1037695004 BYWQBNNOOFIRHT-DYEKYZERSA-N 303.366 -0.898 30 20 DBED N#CCN1CCC[C@]2(CCN(C(=O)C3CC(=O)NC(=O)C3)C2)C1 1040448054 VRYHOQGYUBEWGZ-INIZCTEOSA-N 318.377 -0.123 30 20 DBED C=CCCC(=O)N1CC[C@](O)(CNC(=O)Cc2nc[nH]n2)C1 1040969094 SYVWPJBRNTXELX-AWEZNQCLSA-N 307.354 -0.607 30 20 DBED Cn1cc(C(=O)N2CC[C@@H]3CCN(CC#N)[C@H]3C2)n(C)c1=O 1042371925 WYARDYUBUFGTPJ-RYUDHWBXSA-N 303.366 -0.216 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](Nc2ccc3nnnn3n2)[C@H](C)C1 1043099733 YLBUPKRYMGDHBS-IVZWLZJFSA-N 300.326 -0.062 30 20 DBED C#CCCCCC(=O)N1CC(O)(CNC(=O)[C@H]2CCN(C)C2)C1 1043116454 NVMODULICTXRQP-AWEZNQCLSA-N 321.421 -0.179 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)[C@@H]2CCCCN2C)C1 1043770362 KJHXZKNQSUZYRZ-AWEZNQCLSA-N 321.421 -0.180 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)[C@@H]3CCCOC3)C2)nn1 1043869159 KFAUBBATCGCDJA-RTXFEEFZSA-N 317.349 -0.559 30 20 DBED N#Cc1nccc(N2C[C@H](O)[C@H](NC(=O)C[C@@H]3CCOC3)C2)n1 1043885344 AQZUZGAQHODDQL-TUAOUCFPSA-N 317.349 -0.559 30 20 DBED CC#CCCCC(=O)NCC1(O)CN(C(=O)c2cn[nH]c2)C1 1045003251 OQAMSALVGSDNKV-UHFFFAOYSA-N 304.350 -0.094 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)CCc2ncccn2)C1 1045176989 GKYODYBDVMPJRC-NSHDSACASA-N 317.349 -0.742 30 20 DBED C=CCCCC(=O)NCC1(O)CN(C(=O)c2cnn(C)n2)C1 1045451448 RFMNXAXYAVSOCP-UHFFFAOYSA-N 307.354 -0.526 30 20 DBED CCn1ncc(C(=O)N2CC(O)(CNC(=O)[C@@H](C)C#N)C2)c1C 1045547266 YOJRORLAHFODOR-JTQLQIEISA-N 319.365 -0.326 30 20 DBED Cc1cncn1CC(=O)N1CC(O)(CNC(=O)[C@H](C)C#N)C1 1045554809 JYLISNYPOUSELY-SNVBAGLBSA-N 305.338 -0.959 30 20 DBED C#CCN1C[C@H]2C[C@H](NC(=O)Cn3ccc(O)nc3=O)C[C@H]1C2 1047106987 SGNPTUDCMABOQS-RWMBFGLXSA-N 316.361 -0.449 30 20 DBED C=CCCN1C[C@H]2C[C@H](NC(=O)CN3CCNC(=O)C3)C[C@H]1C2 1047125624 GOCZSZRKZRYNPZ-SOUVJXGZSA-N 320.437 -0.037 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cn3c(n2)CCCC3)C1 1047401859 FQOJPEDIYDLYKD-KBPBESRZSA-N 302.378 -0.030 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2cn3c(n2)COCC3)C1 1047427828 KGKMLZPSWBQMOS-KBPBESRZSA-N 318.377 -0.446 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CSC)C1 1048188406 CPGCPAPRZKSGPF-WOPDTQHZSA-N 314.407 -0.582 30 20 DBED N#Cc1cnc(N2CC[C@@H]3CN(C(=O)C(N)=O)C[C@@H]3C2)cn1 1049623078 CJKXIZIAXQHXFQ-ZJUUUORDSA-N 300.322 -0.882 30 20 DBED N#CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1nccnc1C(N)=O 1049884701 LFGMQMTWROBEMM-MNOVXSKESA-N 314.349 -0.222 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)c1cc(=O)c(OC)c[nH]1 1051028333 MFFLBBFWTNJGBR-NSHDSACASA-N 305.334 -0.553 30 20 DBED C=CCN1CCN([C@H]2CCN(C(=O)C[C@@H]3CCNC3=O)C2)CC1 1052035461 CNEAXLPNSJXGSQ-GJZGRUSLSA-N 320.437 -0.083 30 20 DBED C[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1CNC(=O)C(N)=O 1052312739 DUVVTHDCCPDJRC-WPRPVWTQSA-N 303.322 -0.804 30 20 DBED C#CCOCCC(=O)N1C[C@@H](C)[C@H](CNC(=O)CC(N)=O)C1 1052592641 IFFHEAYEGYPKLL-VXGBXAGGSA-N 309.366 -0.888 30 20 DBED C=C(C)CN1CCC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)CC1 1052954113 LHRQHKVIGPXKIC-GFCCVEGCSA-N 320.397 -0.076 30 20 DBED C#CCN1CC2(C1)CN(C(=O)[C@H]1CC(=O)N(CC)C1)CCO2 1053279547 QQCZBXVKXJOKKS-ZDUSSCGKSA-N 305.378 -0.599 30 20 DBED N#CCN1CC2(C1)CN(C(=O)C[C@@H]1CCC(=O)NC1)CCO2 1053286140 WJHCJONBSSCWGP-LBPRGKRZSA-N 306.366 -0.661 30 20 DBED C=CCCN1CC2(C[C@@H](NC(=O)[C@@H]3CN(C)C(=O)N3)CO2)C1 1053892556 YCHNOLONAZSFKQ-NEPJUHHUSA-N 308.382 -0.454 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)[C@@]3(C)CCNC3=O)CO2)C1 1053925189 GXCWQVIVEZQYPF-DOMZBBRYSA-N 305.378 -0.505 30 20 DBED N#CCN1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CNC(=O)N1 1054051353 ATCJMWWURQUPAX-KGLIPLIRSA-N 313.361 -0.266 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@](CO)(NC(=O)CC)C1 1055662108 QXMJJVVKWHDYNQ-HNNXBMFYSA-N 309.366 -0.994 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@](CO)(NC(=O)c2cnon2)C1 1056073324 VORJVMVXOSXBDW-RNCFNFMXSA-N 307.310 -0.687 30 20 DBED N#Cc1cnccc1N1C[C@H]2[C@H](NC(=O)[C@H]3COCCO3)[C@H]2C1 1056136657 YXGHHICOSSIAFM-OSRDXIQISA-N 314.345 -0.081 30 20 DBED N#Cc1cncc(N2C[C@H]3[C@H](NC(=O)Cc4ncc[nH]4)[C@H]3C2)n1 1056275869 JVHVCRKCXFLZQL-HBYGRHMLSA-N 309.333 -0.135 30 20 DBED Cc1n[nH]c(C)c1C(=O)N(CCO)CCNC(=O)C#CC1CC1 1058367903 BOUOZEKKZIAFQY-UHFFFAOYSA-N 318.377 -0.009 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)COc1cnn(C)c1 1058595257 JRSHUVPJGNHWTN-UHFFFAOYSA-N 324.381 -0.298 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)c1ncccc1O 1058653341 STXLXCXVKNQWLD-JTQLQIEISA-N 306.322 -0.502 30 20 DBED C[C@H](C#N)C(=O)NCC[C@H]1CCN(C(=O)Cn2cnnn2)C1 1059130003 UHRJOUKZRKKXOU-MNOVXSKESA-N 305.342 -0.812 30 20 DBED CNC(=O)NCC(=O)N1CC[C@@H](CCNC(=O)C#CC2CC2)C1 1059782738 MIMSMSMNGUEQNE-CYBMUJFWSA-N 320.393 -0.316 30 20 DBED C=C(C)CCC(=O)NC[C@H]1COCCN1C(=O)CC(=O)NC 1061629279 PNWAQLWXKOMPFX-LBPRGKRZSA-N 311.382 -0.178 30 20 DBED C=CCC(CC=C)C(=O)N1CCOC[C@@H]1CNC(=O)C(N)=O 1061840014 JEGJPQNHPLVVGR-LBPRGKRZSA-N 309.366 -0.416 30 20 DBED CCN(C)CCC(=O)NC[C@H]1COCCN1C(=O)[C@@H](C)C#N 1061899508 ZKGYGIVLZHAIKO-STQMWFEESA-N 310.398 -0.169 30 20 DBED CNC(=O)NCCC(=O)NC1(CNC(=O)[C@@H](C)C#N)CCC1 1064306537 KRBOIQKMWZYAHX-JTQLQIEISA-N 309.370 -0.380 30 20 DBED C#CCO[C@@H](C)C(=O)NC1(CNC(=O)[C@H]2C[C@H]2C(N)=O)CCC1 1064562578 GCNLMHFHVKKVPC-TUAOUCFPSA-N 321.377 -0.699 30 20 DBED C=CCOCC(=O)N1CCO[C@@H](CNC(=O)c2cc(C)[nH]n2)C1 1064977890 YHWUDJGQTAYJHC-LBPRGKRZSA-N 322.365 -0.122 30 20 DBED C[C@@]1(NC(=O)[C@H]2C[C@H]2C(N)=O)CCN(c2ccc(C#N)nn2)C1 1065329727 WKIDOTKEYAPUJL-JRPNMDOOSA-N 314.349 -0.445 30 20 DBED N#Cc1cnccc1N1C[C@H]2CN(C(=O)Cn3ncnn3)C[C@H]2C1 1066029749 IZFDFGVZIXVMAU-BETUJISGSA-N 324.348 -0.465 30 20 DBED C[C@H]1CN(C(=O)c2cnn(C)n2)C[C@@H]1N=c1cc[nH]c(C#N)n1 1067117176 FKNKNLLDXOXRDA-ONGXEEELSA-N 312.337 -0.529 30 20 DBED Cc1nc(N[C@H](C)[C@@H]2CN(C(=O)C(N)=O)CCO2)ccc1C#N 1068244387 VKXGZIXCENNECC-PWSUYJOCSA-N 317.349 -0.225 30 20 DBED N#Cc1nc(=NC[C@H]2C[C@H](NC(=O)[C@@H]3COC(=O)N3)C2)cc[nH]1 1068481584 TXEJBSVCCLGFTB-GUBZILKMSA-N 316.321 -0.815 30 20 DBED C=CCCC(=O)N[C@H]1COC2(C1)CN(C(=O)[C@H]1COCCO1)C2 1068746644 BFXTWPQLIRFCMG-CHWSQXEVSA-N 324.377 -0.146 30 20 DBED N#Cc1nc(=NC[C@H]2CC[C@@H](NC(=O)c3cnn[nH]3)C2)cc[nH]1 1069518645 VSBVKVVKSOKZPA-VHSXEESVSA-N 312.337 -0.101 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@]2(CCCN(C(=O)CNC(N)=O)C2)C1 1069709045 CVHFCUFUEOYWDS-IAQYHMDHSA-N 321.381 -0.345 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2ccnn2C)C1 1069902316 QRXRNSQEMPRHSJ-YPMHNXCESA-N 301.354 -0.147 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCC[C@@H](NC(=O)Cn2cncn2)C1 1070673032 VWSAJFWNRFCCHA-DOMZBBRYSA-N 321.381 -0.288 30 20 DBED C[C@@H]1CN(C(=O)CNC(=O)C2CC2)C[C@@H]1NC(=O)C#CC1CC1 1071686853 AGXWMQKCSBVFBR-RISCZKNCSA-N 317.389 -0.111 30 20 DBED C=CCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)CS(C)(=O)=O)C1 1071769972 BMUIILNWZJRFPJ-MNOVXSKESA-N 302.396 -0.040 30 20 DBED C[C@H]1[C@@H](N[C@@H]2CCNC2=O)CCN1C(=O)c1cc(C#N)c[nH]1 1074589113 MWUNFWAMHYAXPQ-ZMLRMANQSA-N 301.350 -0.033 30 20 DBED C[C@H](C#N)C(=O)N1CCC(O)(CNC(=O)CSCC#N)CC1 1074703967 YBALXSNUVSSHQW-LLVKDONJSA-N 324.406 -0.127 30 20 DBED C[C@H](C#N)C(=O)N1CCC(O)(CNC(=O)c2cn(C)nn2)CC1 1074704584 DSBQXPQTWNOUJJ-SNVBAGLBSA-N 320.353 -0.942 30 20 DBED C=CCOCC(=O)NCC[C@H](C)NC(=O)[C@@H]1CCNC(=O)C1 1075917738 HCCUGRKFOZTCKW-NWDGAFQWSA-N 311.382 -0.274 30 20 DBED C=CCOCC(=O)N[C@@H](C)CCNC(=O)CCNC(=O)NC 1076377532 ZQRAYBSJBXFAON-NSHDSACASA-N 314.386 -0.481 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)c2cn(C(C)(C)C)nn2)C1 1077105284 RVJUHLDKDORBDD-DGCLKSJQSA-N 305.382 -0.169 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)c2ccnc3[nH]nnc23)C1 1077363424 VAGRWWNRDQTQLY-GHMZBOCLSA-N 302.338 -0.296 30 20 DBED N#Cc1ccc(CNC[C@H]2CN(C(=O)C(N)=O)CCCO2)s1 1078456812 HPTAXFDMHCFJBD-JTQLQIEISA-N 322.390 -0.188 30 20 DBED C=CCOCC(=O)N(CC)C1CN(C(=O)C(C)(C)C(N)=O)C1 1079492528 BHTMZLRUSIDQLS-UHFFFAOYSA-N 311.382 -0.240 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(N(CC)C(=O)c2nnn(C)n2)C1 1080271667 UISQEFANQIPMAV-CQSZACIVSA-N 322.369 -0.790 30 20 DBED C=C(C)CCC(=O)NC[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1O 1081533241 IJWFSFCDFBGSCU-VXGBXAGGSA-N 323.393 -0.456 30 20 DBED O=C(Cc1ncc[nH]1)NC[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 1081692104 BSJVOMXQNFNNOR-STQMWFEESA-N 316.361 -0.699 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCn3c(cnc3C)C2)C1 1083781243 ZMAZWZMRACXUPL-BMFZPTHFSA-N 316.405 -0.061 30 20 DBED C#CCCN1CC[C@@H]2CN(C(=O)CN3C(=O)CN(C)C3=O)[C@@H]2C1 1084818871 XEYZTBINWVIUTR-CHWSQXEVSA-N 318.377 -0.564 30 20 DBED CN(C)C(=O)CN1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H](O)C1 1090180621 SVVCNDHCUDFFTK-YPMHNXCESA-N 319.365 -0.860 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)c2cccn3nnnc23)[C@@H](O)C1 1090295965 UDQVIQVZZINKOS-STQMWFEESA-N 316.365 -0.135 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1O 1090391773 MITMKSXCTUSWNP-CHWSQXEVSA-N 302.334 -0.178 30 20 DBED COc1cc(O)ncc1C(=O)N[C@@H]1CCN(CC#N)C[C@H]1O 1090583295 NGSNBXPAWYVPSG-GHMZBOCLSA-N 306.322 -0.516 30 20 DBED COC(=O)NCC(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1C 1090660915 GRPUWIPEPQPDAP-NXEZZACHSA-N 318.337 -0.355 30 20 DBED C=CCCC(=O)N[C@@H]1CN(c2ncc(C(=O)OC)cn2)C[C@@H]1O 1091075262 ZQUBMZZBQMNSBP-NEPJUHHUSA-N 320.349 -0.105 30 20 DBED C[C@@H](CC(N)=O)C(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@@H]1O 1091175383 YMOWCVMFMDOQNV-WCQGTBRESA-N 317.349 -0.870 30 20 DBED Cc1ccc(C#N)c(N2CC[C@@H](NC(=O)CC(N)=O)[C@@H](O)C2)n1 1092134684 PEZPIBPMTRQBSH-NEPJUHHUSA-N 317.349 -0.807 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(c2cncc(C#N)n2)C[C@@H]1O 1092153257 FITVYYGKDISBHU-OLZOCXBDSA-N 317.349 -0.393 30 20 DBED C=CCN1CC2(C[C@H](NC(=O)[C@@H]3CCC(=O)N3)c3nccn32)C1 1092409058 GZMDXTQHFNJIEH-RYUDHWBXSA-N 315.377 -0.080 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)Cn3ccnc3)c3nccn32)C1 1092413786 FWMVKJWIBDODNX-LBPRGKRZSA-N 311.349 -0.125 30 20 DBED CNC(=O)NCCC(=O)NCCN=c1cc(C)[nH]cc1C#N 1093591290 QGYJLYBIBZRZJN-UHFFFAOYSA-N 304.354 -0.469 30 20 DBED C[C@@H](CN1CCOCC1)C(=O)NCCN=c1cc[nH]c(C#N)n1 1093643680 SYWDAHGTGGJVDY-LBPRGKRZSA-N 318.381 -0.733 30 20 DBED Cc1ccc(C#N)c(NCCNC(=O)CN2CCOCC2=O)n1 1094210464 JGRZSMCHZRIGFP-UHFFFAOYSA-N 317.349 -0.351 30 20 DBED Cn1ncc(C(=O)NCCCNc2cnc(C#N)cn2)c1N 1094374778 IPWNXJWSDFYKPW-UHFFFAOYSA-N 300.326 -0.104 30 20 DBED N#Cc1cncc(NCCCNC(=O)[C@@H]2CCCS2(=O)=O)n1 1094447557 WEBUCWWYDYXFHY-NSHDSACASA-N 323.378 -0.156 30 20 DBED C#CCCN1CCN(C(=O)c2cnco2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094649043 ANRIWRXUCCVBST-NWDGAFQWSA-N 323.374 -0.379 30 20 DBED C[C@@H](CC(N)=O)C(=O)N1CCCN(c2cnc(C#N)cn2)CC1 1095201860 DBXWJCVXHFIXPG-NSHDSACASA-N 316.365 -0.102 30 20 DBED C[C@H](C(=O)N[C@@H]1CCN(c2ccnc(C#N)n2)C1)S(C)(=O)=O 1096502053 JQVYLMLKOPAODZ-NXEZZACHSA-N 323.378 -0.524 30 20 DBED C[C@H](CNC(=O)CN1CCOCC1)N=c1cc[nH]c(C#N)n1 1097784339 UBVPPLFXLUAFKM-LLVKDONJSA-N 304.354 -0.981 30 20 DBED CNC(=O)NC(C)(C)C(=O)NC[C@H](C)Nc1nccnc1C#N 1097889206 HULJSHBEHMZIDU-VIFPVBQESA-N 319.369 -0.028 30 20 DBED CC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H]1COCCN1C(C)=O 1098441782 WMKZYOWZHZDPBJ-WCVJEAGWSA-N 319.405 -0.022 30 20 DBED C#CCNCc1cn([C@H]2CCN(C(=O)[C@H](COC)OC)C2)nn1 1098723093 UHBMWJMLCSLJHB-KBPBESRZSA-N 321.381 -0.564 30 20 DBED N#CCNCc1cn([C@@H]2CCN(C(=O)Cc3ncc[nH]3)C2)nn1 1098757695 RMACMZRJPFXJSA-GFCCVEGCSA-N 314.353 -0.370 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CCC(C)(C)CN1CC(=O)NC(N)=O 1098982545 LOKOMGGQMYBVEI-WDEREUQCSA-N 323.397 -0.052 30 20 DBED C#CCCCC(=O)N[C@H]1CCN(CCNC(=O)C2CC2)C[C@H]1O 1099805043 WFGXTDUAFIJVOY-LSDHHAIUSA-N 321.421 -0.133 30 20 DBED Cc1[nH]nc(C(=O)NCCN(C)c2cnc(C#N)cn2)c1O 1100014345 HTSFEAPFSQCATK-UHFFFAOYSA-N 301.310 -0.048 30 20 DBED C#CCNC(=O)CC(=O)NCCN(C)c1cc(C)nc(C)n1 1100037825 VBFNUSOYXCIXMD-UHFFFAOYSA-N 303.366 -0.215 30 20 DBED C#CCCN1CC[C@H](NC(=O)CC(=O)NCC2CC2)[C@H](O)C1 1100070224 QUUSMDGRWBXRNM-UONOGXRCSA-N 307.394 -0.523 30 20 DBED CCc1nc(C#N)cc(N(C)CCNC(=O)CCNC(N)=O)n1 1100099939 WWMARBLBTOVLHG-UHFFFAOYSA-N 319.369 -0.479 30 20 DBED C[C@H](C#N)C(=O)NCC1CC(NCCCN2C(=O)CNC2=O)C1 1100197819 DVOPUEOOXDSBTN-VOMCLLRMSA-N 321.381 -0.428 30 20 DBED CCN(CCNC(=O)CN(C)C(C)=O)c1cncc(C#N)n1 1100450024 INJRQVNVVBPJQK-UHFFFAOYSA-N 304.354 -0.231 30 20 DBED CCN(CCNC(=O)CCCC(N)=O)c1nccnc1C#N 1100555326 MONBTGWQVSOTHZ-UHFFFAOYSA-N 304.354 -0.054 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CCCN1c1ccc2nnnn2n1 1100809764 INEFYTNVJAQFSB-UWVGGRQHSA-N 300.326 -0.236 30 20 DBED CCCN(CCNC(=O)CC(=O)NC)c1cncc(C#N)n1 1101126454 FYFAWTDGFMLWDT-UHFFFAOYSA-N 304.354 -0.183 30 20 DBED CNC(=O)CC(=O)NCCN(c1cnc(C#N)cn1)C1CC1 1101324928 YWFLGETYKDYFRZ-UHFFFAOYSA-N 302.338 -0.431 30 20 DBED CCC(=O)NCC(=O)NC[C@H](C)CN=c1cc[nH]c(C#N)n1 1103895892 JNGISKOSEVRRET-SNVBAGLBSA-N 304.354 -0.539 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)Cc1nc[nH]n1 1104075455 MTAXQQZSMWZVPI-SECBINFHSA-N 300.326 -0.705 30 20 DBED CNC(=O)CC(=O)NC[C@H]1CN(c2ccc(C#N)nc2)CCO1 1104308941 YMSHGCKSWKFAHU-ZDUSSCGKSA-N 317.349 -0.589 30 20 DBED C[C@@H](CN=c1cc[nH]cc1C#N)N(C)C(=O)[C@H]1CCC(=O)N1 1104496602 WSIFMWLWRGZOKE-GXFFZTMASA-N 301.350 -0.087 30 20 DBED Cc1cc(C#N)nc(NC[C@H](C)N(C)C(=O)Cn2ncnn2)n1 1104688307 DPIUFSLMNJSYGB-JTQLQIEISA-N 315.341 -0.398 30 20 DBED CC#CCCCC(=O)N1CC(n2cc(CNCC(N)=O)nn2)C1 1105308067 HRKAUTDAOJQJCQ-UHFFFAOYSA-N 318.381 -0.570 30 20 DBED C#CCNCc1cn(C2CN(C(=O)c3n[nH]cc3F)C2)nn1 1105322167 BZWHTPRDJBXDJE-UHFFFAOYSA-N 303.301 -0.440 30 20 DBED C[C@H]1CCCN1CC(=O)N1CC(n2cc(CNCC#N)nn2)C1 1105326709 CODHPZKCLHSYDY-LBPRGKRZSA-N 317.397 -0.241 30 20 DBED C#CCCNCc1cn(C2CN(C(=O)Cn3cncn3)C2)nn1 1105371719 XXBNLYUTMPMHOD-UHFFFAOYSA-N 314.353 -0.934 30 20 DBED N#CCSCC(=O)NC[C@@H](O)CNc1cnc(C#N)cn1 1105755662 VEQLNNRPXDQSNH-JTQLQIEISA-N 306.351 -0.506 30 20 DBED Cc1nonc1C(=O)NC[C@@H](O)CNc1ncc(C#N)cc1F 1105884678 ODDVHFYAIMJBKI-VIFPVBQESA-N 320.284 -0.013 30 20 DBED CC[C@H](C(=O)NC[C@@H](O)CNc1nccnc1C#N)N(C)C 1105926198 PITYUYDGBZWPBO-CMPLNLGQSA-N 306.370 -0.423 30 20 DBED C[C@@]1(C(=O)NC[C@@H](O)CNc2ncccc2C#N)CCC(=O)N1 1106082634 BCHKXDZGVJRLFP-NHYWBVRUSA-N 317.349 -0.489 30 20 DBED C[C@@H](CCN=c1cc[nH]cc1C#N)NC(=O)CCn1cnnn1 1106418897 UKAZBZKXTUOICQ-NSHDSACASA-N 314.353 -0.241 30 20 DBED C#CCNC[C@@H]1CN(C(=O)[C@@H]2CN(C(C)=O)CCO2)C[C@H]1C 1106935370 NWVUTFSLRCINDC-YUELXQCFSA-N 307.394 -0.449 30 20 DBED C=CCCC(=O)NCc1cn(C2CN(C[C@@H](O)COC)C2)nn1 1107142517 HSFFMLTXYINPQJ-CQSZACIVSA-N 323.397 -0.276 30 20 DBED C#CCNC(=O)CN1CCO[C@@](C)(CNC(=O)c2ccoc2)C1 1107736255 SLGRJKNLLYVZKQ-INIZCTEOSA-N 319.361 -0.150 30 20 DBED C[C@]1(CNC(=O)c2ccon2)CN(CC(=O)NCC#N)CCO1 1107773748 QXBRCAHKLIJFMG-AWEZNQCLSA-N 321.337 -0.865 30 20 DBED C#CCOCCC(=O)NC[C@]1(C)CN([C@@H](C)C(N)=O)CCO1 1107939607 GMYGCGPZLRHULA-SWLSCSKDSA-N 311.382 -0.893 30 20 DBED CC#CCN1CCO[C@](C)(CNC(=O)[C@@H]2CCCN2C(N)=O)C1 1108439255 FLZSABGUVPCRFT-XJKSGUPXSA-N 322.409 -0.240 30 20 DBED C=CCCN1CCN(C(=O)COCC)[C@@H]2CS(=O)(=O)C[C@@H]21 1108453542 XZARAVLEOZSUTK-QWHCGFSZSA-N 316.423 -0.091 30 20 DBED C[C@@H](CNc1nccnc1C#N)NC(=O)[C@H]1CCC(=O)N1C 1108662795 OOBRINWRCATQHA-GXSJLCMTSA-N 302.338 -0.114 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CN(C)c1cncc(C#N)n1 1108945516 RYGUWMCTMZOESX-NSHDSACASA-N 314.349 -0.571 30 20 DBED CC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN(C)S(C)(=O)=O 1109366328 JMLQOPOOOMJMJB-AGIUHOORSA-N 313.423 -0.377 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C1(C(N)=O)CC1 1109660040 SEIWIXUCPDNLAQ-AGIUHOORSA-N 305.378 -0.377 30 20 DBED CCNC(=O)CC(=O)N[C@H]1[C@H]2C[C@H]1N(c1ccc(C#N)nn1)C2 1109703957 HTIAFXOLCRICSO-ISOBSLSZSA-N 314.349 -0.432 30 20 DBED CCOCC(=O)N(C)[C@H]1CN(c2nccnc2C#N)C[C@@H]1O 1111170029 VNHLURYQGHMLOD-RYUDHWBXSA-N 305.338 -0.607 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)Cn2cncc2C)CC1 1113111410 XPGYVNNCFVCGIP-AWEZNQCLSA-N 317.393 -0.526 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)CCc2cncs2)CC1 1113348431 MQQWSJDNYZEGLE-UHFFFAOYSA-N 321.406 -0.140 30 20 DBED C[C@H](Cc1cnc[nH]1)C(=O)N1CCN(CC(=O)NCC#N)CC1 1113417701 RHAZJRAIZPMUGL-GFCCVEGCSA-N 318.381 -0.628 30 20 DBED C[C@@H](CNC(=O)[C@H]1COC(=O)N1)N(C)c1nccnc1C#N 1113590370 CAEVRBQCBWRQFV-WCBMZHEXSA-N 304.310 -0.602 30 20 DBED N#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)CCc3ccoc3)[C@H]2C1 1114132476 FLCNPDNOTYVGGM-VIKVFOODSA-N 316.361 -0.102 30 20 DBED C#CCOCCC(=O)NC1[C@@H]2CN(CC(=O)NCC(C)C)C[C@@H]12 1114267984 CPNGUJTXMZMKKO-ZIAGYGMSSA-N 321.421 -0.155 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H]1[C@@H]2CN(Cc3cnn(C)n3)C[C@@H]21 1114270684 JHJWKESJRSNAFP-ZZVYKPCYSA-N 303.366 -0.600 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)C3(CCOC)CC3)[C@H]2C1 1114387526 RNEQBBPOVCQERR-NHAGDIPZSA-N 319.405 -0.401 30 20 DBED N#Cc1cncc(N2C[C@H]3[C@H](CNC(=O)Cn4cncn4)[C@H]3C2)n1 1114549235 FXPZBWJTDMOGQH-XYYAHUGASA-N 324.348 -0.562 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@H]3OCC[C@H]3C)[C@H]2C1 1114851961 MJWXKXGHISXHTF-MUGBGTHKSA-N 305.378 -0.793 30 20 DBED N#CCN1C[C@H]2C(NC(=O)C3(NC(N)=O)CCCCC3)[C@@H]2C1 1114930830 VVSWJEIKGUHFHS-GHMZBOCLSA-N 305.382 -0.072 30 20 DBED C[C@@H](CCCN=c1cc[nH]c(C#N)n1)NC(=O)C(C)(C)C(N)=O 1115011208 TVNSWTZCUYQOCR-JTQLQIEISA-N 318.381 -0.022 30 20 DBED CC(C)(C)NS(=O)(=O)CC(=O)NC1[C@H]2CN(CC#N)C[C@H]12 1115254224 KZIMCSVFKKFVAE-UWVGGRQHSA-N 314.411 -0.726 30 20 DBED C[C@H](CN(C)C(=O)CS(C)(=O)=O)Nc1cncc(C#N)n1 1115632447 MXPMDCZXWKUPTA-SECBINFHSA-N 311.367 -0.348 30 20 DBED C=C(C)COCCNC(=O)C(=O)N(C)CCNC(=O)N(C)C 1117605739 SJDZNNUAWPECTH-UHFFFAOYSA-N 314.386 -0.575 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)Nc1cccn(C)c1=O 1118939207 VFZLAYSFDMCFPE-LLVKDONJSA-N 305.334 -0.132 30 20 DBED C#CCNC1(CNC(=O)CN2C(=O)CNC2=O)CCCCC1 1120104839 NNNJMXRKUAOVJF-UHFFFAOYSA-N 306.366 -0.420 30 20 DBED COc1ccnc(N[C@H](CO)CNC(=O)CSCC#N)n1 1121080000 XWMUCIPGDMLGFR-VIFPVBQESA-N 311.367 -0.369 30 20 DBED CN1CCOC[C@@H]1C(=O)NC[C@H](CO)Nc1ccc(C#N)cn1 1121347177 XDLOYHAMTFELMP-CHWSQXEVSA-N 319.365 -0.827 30 20 DBED Cc1cc(=N[C@H](CO)CNC(=O)CC(C)(C)O)c(C#N)c[nH]1 1121504548 FVXAVELDLIZPEV-LBPRGKRZSA-N 306.366 -0.266 30 20 DBED Cc1cc(=N[C@@H](CO)CNC(=O)C(C)(C)C(N)=O)c(C#N)c[nH]1 1122198979 ZCXMJDSAUUCLOZ-LLVKDONJSA-N 319.365 -0.916 30 20 DBED CNC(=O)CC(=O)N1C[C@H](Nc2cnc(C#N)cn2)C[C@@H]1C 1123203803 RHGGZPUTQSTHHR-VHSXEESVSA-N 302.338 -0.114 30 20 DBED C=C(C)CN(CC)C(=O)CNCCNC(=O)CCn1cncn1 1123659043 ASELAMBBHIDZKQ-UHFFFAOYSA-N 322.413 -0.201 30 20 DBED CN(C[C@H](O)CNc1cncc(C#N)n1)C(=O)Cc1ccon1 1124199908 HYRUWGUOHSRMSQ-GFCCVEGCSA-N 316.321 -0.190 30 20 DBED CN(CCNCCNC(=O)C#CC(C)(C)C)S(C)(=O)=O 1126912267 GWXVJWNPGDGJOM-UHFFFAOYSA-N 303.428 -0.367 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1c(Cl)cnn1CC 1128131960 YMLULSVBQZQWNZ-UHFFFAOYSA-N 311.773 -0.375 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(C[C@H](C)O)C[C@@H]1n1ccnn1 1129477113 YOVVHPUJDIVKRS-MJBXVCDLSA-N 323.397 -0.407 30 20 DBED CCCN(C)CC(=O)N1C[C@H](n2ccnn2)[C@H](NCC#N)C1 1130107354 LPVJECUIFFGJIE-OLZOCXBDSA-N 305.386 -0.515 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)[C@]1(C)CCNC(=O)C1 1130208602 PFLIHZSQWSEARC-XHDPSFHLSA-N 310.398 -0.701 30 20 DBED COC(=O)NCC(=O)N1C[C@H](C)O[C@]2(CCN(CC#N)C2)C1 1131638242 JGXUHTGIRAZFFQ-FZMZJTMJSA-N 310.354 -0.442 30 20 DBED C=C(C)CN(CC)C(=O)CNCCNC(=O)[C@@H]1CCN(C)C1=O 1132608529 DYKSFKSMMMUEIK-ZDUSSCGKSA-N 324.425 -0.405 30 20 DBED Cc1cc(CC(=O)N[C@@H](C)C[C@H](C)NCC(=O)NCC#N)n[nH]1 1134055632 KRVRNMUOMXHQFK-QWRGUYRKSA-N 320.397 -0.227 30 20 DBED C=C(C)CN[C@H](C)C[C@@H](C)NC(=O)CNC(=O)CNC(C)=O 1134770685 PYZASFQCOBJBBI-VXGBXAGGSA-N 312.414 -0.312 30 20 DBED CC(C)NC(=O)CN(C)CC(=O)N[C@@H](C)C[C@@H](C)NCC#N 1134839753 PAGVACVZFSLNSX-OLZOCXBDSA-N 311.430 -0.161 30 20 DBED Cc1ncsc1CCC(=O)NCCNCC(=O)NCC#N 1146301704 BJCDPJPJVVLNIF-UHFFFAOYSA-N 309.395 -0.270 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)c1cc(C)no1)C2 1146973909 JHXHUVAEYIHZGW-UHFFFAOYSA-N 316.361 -0.120 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC2(CCN([C@@H](C)C(=O)NC)C2)C1 1147422536 PWKRCRIQTJGFLO-WFASDCNBSA-N 309.410 -0.018 30 20 DBED CC[C@@H](C)C(=O)NC[C@@H]1CN(CC(=O)NCC#N)CCCO1 1149169119 ZGABKYNEWRVQNT-CHWSQXEVSA-N 310.398 -0.121 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN([C@H]2CCNC2=O)CCCO1 1149694061 HNHJUFAPOLLRBM-KGLIPLIRSA-N 305.378 -0.505 30 20 DBED C#CCCN1CCCO[C@@H](CNC(=O)CN2CCOCC2=O)C1 1149854171 HLYLQQSWMHEGMI-AWEZNQCLSA-N 323.393 -0.924 30 20 DBED COCC#CCN1CCCO[C@@H](CNC(=O)CCN(C)C)C1 1150240296 DZVFSMDPKFCGGE-HNNXBMFYSA-N 311.426 -0.205 30 20 DBED C#CCN(CC)[C@H](C)CNC(=O)C[C@@]1(C)CCS(=O)(=O)N1 1156612010 ARHSGJWCVCLKGY-TZMCWYRMSA-N 315.439 -0.082 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)[C@H]1COCCN1C 1156815783 DXAKPYLNXOQPDN-CHWSQXEVSA-N 312.414 -0.896 30 20 DBED C#CCOCCC(=O)NCCCNCCN1C(=O)CCC1=O 1157852912 MOAUMCAXMCPQFZ-UHFFFAOYSA-N 309.366 -0.729 30 20 DBED C=CCOCCNCCCNC(=O)CN1CCCS1(=O)=O 1159368467 KFPIRFKHVPGXIJ-UHFFFAOYSA-N 319.427 -0.680 30 20 DBED C[C@H](CCCCNCC(=O)NCC#N)NC(=O)c1cn(C)cn1 1170170180 VWSUXWQRINMDLO-GFCCVEGCSA-N 320.397 -0.062 30 20 DBED CC#CCNCCCC[C@H](C)NC(=O)CN1CCNC(=O)C1 1174658439 DRBAHTJDAGSUAJ-AWEZNQCLSA-N 308.426 -0.294 30 20 DBED COCC#CCN1CCO[C@H]2CCN(C(=O)c3nc[nH]n3)C[C@@H]21 1177119135 NDWVVPLIYBZTMT-STQMWFEESA-N 319.365 -0.630 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1 1181609550 RDYAVAYIYABMLA-QJPTWQEYSA-N 308.382 -0.854 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)Cc2ccn(C)n2)C1 1182442757 RQCNGVVXQKWLCP-CYBMUJFWSA-N 305.382 -0.545 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@H]1CCN(C(=O)c2cn[nH]c2)C1 1189031963 OUMKDEWACXWQKF-AAEUAGOBSA-N 303.366 -0.306 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](N(C)Cc2nccn2C)C1 1189760563 MUZOJBCWYPSHEK-CYBMUJFWSA-N 317.393 -0.408 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@@H]1CCN(C(=O)c2csnn2)C1 1191587385 WGMKQCJPEIHCGD-WDEREUQCSA-N 321.406 -0.178 30 20 DBED C=CCCC(=O)N[C@@H]1CN(C[C@H]2CCc3ncnn32)C[C@H]1O 1191724529 JUQPIXMTKKVFIN-JHJVBQTASA-N 305.382 -0.107 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)[C@@H]2CCN(C)C2)C1 1194002313 QZEVKTRGDUYDSV-ZIAGYGMSSA-N 308.426 -0.227 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 1194041222 VTNAUYBXUFOCAQ-LSDHHAIUSA-N 320.437 -0.247 30 20 DBED C#CCCCCCC(=O)N[C@@H]1CN(C[C@H](O)COC)C[C@H]1O 1195302068 YKLDBIYQNOVJIJ-RRFJBIMHSA-N 312.410 -0.261 30 20 DBED C=C(C)C[C@@H](C)C(=O)N[C@@H]1CN(CCOCCO)C[C@H]1O 1195533007 WHECRAFLUIUBIC-MGPQQGTHSA-N 300.399 -0.241 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCCN(C(=O)[C@@H]2CCNC2=O)CC1 1196724575 KZDVEQSKXUDZJN-CHWSQXEVSA-N 322.409 -0.653 30 20 DBED N#CCSCC(=O)N1CCC(N[C@H]2CCC(=O)NC2=O)CC1 1199386695 FBMZXOYUYCXWAE-NSHDSACASA-N 324.406 -0.371 30 20 DBED CNC(=O)[C@@H](C)NC[C@H]1CN(C(=O)C#CC(C)C)CCCO1 1200470164 VIFDLDYIFFXOPO-KGLIPLIRSA-N 309.410 -0.013 30 20 DBED C#CCNC[C@@H]1CN(C(=O)C(C)(C)CNC(C)=O)CCCO1 1201619813 BILLGHVFPXUITC-CQSZACIVSA-N 309.410 -0.011 30 20 DBED C=CCNC(=O)CN[C@H]1C[C@H](NC(=O)CC(N)=O)C12CCC2 1202653364 HEEZRVKDCFZLIA-QWRGUYRKSA-N 308.382 -0.819 30 20 DBED N#CCNC(=O)CNC1CCN(C(=O)CCc2cn[nH]c2)CC1 1202856890 ZXTJHWQHIKPIFQ-UHFFFAOYSA-N 318.381 -0.437 30 20 DBED C#CCCN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)CS(=O)(=O)NC)C2 1204988450 OGCLYJDDYPJJLF-JHJVBQTASA-N 313.423 -0.472 30 20 DBED COC1CC(C(=O)N2CCC(CNCC(=O)NCC#N)CC2)C1 1205500248 MXIKEAODDYQZNK-UHFFFAOYSA-N 322.409 -0.121 30 20 DBED CN1CC[C@H](C(=O)N2CCC(CNCC(=O)NCC#N)CC2)C1 1206927817 RTIDPKRXSNENPP-AWEZNQCLSA-N 321.425 -0.594 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)C2CN(C(C)=O)C2)C1 1207898964 YRGVPKAKRCPOOE-CQSZACIVSA-N 322.409 -0.653 30 20 DBED CCC(=O)N[C@@H](C)C(=O)N1CCC[C@H](NCC(=O)NCC#N)C1 1208121968 TXTFJKDPWIUEGM-RYUDHWBXSA-N 323.397 -0.879 30 20 DBED COCC#CCN1C[C@@H](NC(=O)[C@H]2C[C@H]2C(=O)N(C)C)[C@H](C)C1 1208637166 IJDDKGXUBBWWDI-LXTVHRRPSA-N 321.421 -0.203 30 20 DBED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)C[C@@H]1CCCO1 1211924337 DCETUHRFTMAAEM-YNEHKIRRSA-N 324.381 -0.989 30 20 DBED C#CCN1C[C@@H](NC(=O)CS(=O)(=O)C(C)C)[C@H](OC)C1 1213874098 CVSREPYXICBCTQ-VXGBXAGGSA-N 302.396 -0.742 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2nnnn2C)C[C@H]1OC 1213965809 DCZBFCYZQQWNHE-IJLUTSLNSA-N 324.385 -0.883 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](NCC(=O)NC(C)C)[C@H](C)C1 1214472713 ZXHQFUKVYIFXMC-CHWSQXEVSA-N 322.409 -0.913 30 20 DBED C=C(C)CN[C@@H]1CN(C(=O)CCS(=O)(=O)NC)C[C@H]1C 1214611210 UJMBFOQSZPYCLZ-VXGBXAGGSA-N 303.428 -0.062 30 20 DBED C#CCCCC(=O)N1CCO[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1217752107 ANPKHHQWHKEPGK-UONOGXRCSA-N 318.377 -0.659 30 20 DBED C#CCCCC(=O)N1CCO[C@@H]2CN(CC(=O)N(C)C)C[C@@H]21 1217757915 FMLLBPBJTUBOTB-UONOGXRCSA-N 307.394 -0.210 30 20 DBED C=CCCC(=O)N[C@@H]1CN(Cc2nnnn2CCC)C[C@@H]1O 1219344740 UOJJKDQSAKCTMY-NEPJUHHUSA-N 308.386 -0.289 30 20 DBED C=CCOCC(=O)N[C@@H]1CN([C@@H](C)c2nc(C)no2)C[C@@H]1O 1219366120 RRGSAOGWCVZSJM-WCQGTBRESA-N 310.354 -0.197 30 20 DBED CCc1nnc(CN2C[C@H](O)[C@H](NC(=O)C#CC3CC3)C2)o1 1219591827 WNLRJSJDKLZFFL-NEPJUHHUSA-N 304.350 -0.293 30 20 DBED CC#CCCCC(=O)N[C@@H]1CN([C@H]2CCCNC2=O)C[C@@H]1O 1220184480 JMNJZIPJOCEVEL-RDBSUJKOSA-N 307.394 -0.380 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](NC(=O)CC[C@@H]2NC(=O)NC2=O)C1 1220940128 LMQAZCZTYFQRNL-TUAOUCFPSA-N 324.381 -0.898 30 20 DBED C=CCCCN1C[C@H](O)[C@H](NC(=O)c2cccc(C(N)=O)n2)C1 1221118402 CLXRXNCMKRQUFB-KGLIPLIRSA-N 318.377 -0.078 30 20 DBED COCC#CCN1CC[C@@H]2CN(C(=O)[C@@H]3COCCO3)[C@@H]2C1 1221286269 RJRVCUJRNATGHG-KFWWJZLASA-N 308.378 -0.416 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)c2cnnn2C)CC1 1227123856 IWEIRGAOANIDKA-UHFFFAOYSA-N 306.370 -0.689 30 20 DBED CN(C[C@@H]1CCN1Cc1nc(O)n[nH]1)C(=O)CSCC#N 1230815784 SGQKKCFZTFEDCW-VIFPVBQESA-N 310.383 -0.200 30 20 DBED CN(C[C@@H]1CCN1CC(=O)NCC#N)C(=O)[C@H]1CCCOC1 1231178872 OFRYSXSGLFKARF-STQMWFEESA-N 308.382 -0.415 30 20 DBED CN(C[C@@H]1CCN1CC(=O)NCC#N)C(=O)C[C@@H]1CCOC1 1231342686 PFEFLTAEYLSTNQ-STQMWFEESA-N 308.382 -0.415 30 20 DBED CNC(=O)C1CN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)C1 1255008315 QHTXITRXCFKQHF-WYMLVPIESA-N 306.322 -0.893 30 20 DBED C#C[C@H](NC(=O)C(=O)NCCCNC(=O)C(C)C)[C@@H]1CCCO1 1261154048 CANPPBRHYVMZLV-STQMWFEESA-N 323.393 -0.438 30 20 DBED COC[C@H](O)CN1CCOC[C@H]1CNC(=O)CSCC#N 1280397910 ZOUUYUVLGDRYIA-VXGBXAGGSA-N 317.411 -0.933 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N1CC(NC(=O)OC)C1 1320431947 DDJAIACLBHJGRK-UHFFFAOYSA-N 305.356 -0.663 30 20 DBED CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)NC1(C#N)CCOCC1 1321140484 MAFLHBULVVTDIL-LLVKDONJSA-N 324.381 -0.418 30 20 DBED C=C(C)CN(CC)C(=O)C(=O)NCCOCCS(C)(=O)=O 1323146100 BTOBJJDWKYLQJI-UHFFFAOYSA-N 320.411 -0.412 30 20 DBED CN(C)c1nccc(CNC(=O)C(=O)N2CC[C@@](F)(C#N)C2)n1 1323434877 IGFKEJWMCCESIS-CQSZACIVSA-N 320.328 -0.377 30 20 DBED C[C@H](NC(=O)CCCC#N)C(=O)N1CCS(=O)(=O)CC1 1323986761 VXDNJESHCQPTKN-JTQLQIEISA-N 301.368 -0.558 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)N2CCO[C@H](C(F)(F)F)C2)CCO1 1325775282 HWQKNKGDXUWFDR-IUCAKERBSA-N 321.255 -0.473 30 20 DBED C=CCn1cc(CNC(=O)C(=O)NC[C@H]2CC[C@H](C)O2)nn1 1326253504 YCHCKCWUUMPOFN-CMPLNLGQSA-N 307.354 -0.236 30 20 DBED CN(CC(C)(C)C#N)C(=O)C(=O)N1CCN(CC(C)(C)O)CC1 1326993332 DGJZIYDHSLXTGR-UHFFFAOYSA-N 324.425 -0.090 30 20 DBED CN1CCN(C)[C@@H](CNC(=O)C(=O)N2CCC[C@H](CC#N)C2)C1 1328920724 IIONAASQPAKXMA-KGLIPLIRSA-N 321.425 -0.499 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2CCOC2)C1=O 1329911937 LIFFJRRWKXHJNK-NEPJUHHUSA-N 309.366 -0.616 30 20 DBED COC(=O)c1cnn(C)c1NC(=O)C(=O)NCC1(C#N)CC1 1330361946 KECRCNKWZBFJOZ-UHFFFAOYSA-N 305.294 -0.435 30 20 DBED CO[C@@H](C)CNC(=O)C(=O)NCCNc1ncccc1C#N 1330853630 HWZBLUPASAFDPV-JTQLQIEISA-N 305.338 -0.368 30 20 DBED C=CCN(C(=O)C(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1OC)C1CC1 1331070342 RYDYAKFZDGEYFZ-MNOVXSKESA-N 316.379 -0.908 30 20 DBED C[C@H](NC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1)[C@H]1CCOC1 1332466323 YSTZVFZAFNBHQY-OBJOEFQTSA-N 320.393 -0.274 30 20 DBED C=CCN(C(=O)C(=O)N[C@@H]1CC[C@H](C(N)=O)C1)[C@H](C)COC 1334216819 ZXQBBLBECGVTIP-GRYCIOLGSA-N 311.382 -0.194 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H]2CCCCCN2)C1=O 1342206465 RSAFWFIKVWHWEW-NSHDSACASA-N 322.365 -0.388 30 20 DBED Cn1ccnc1C(=O)[C@H](C#N)C(=O)CCC(=O)N1CCOCC1 1342640745 JQCCXYZFRMNWEY-LLVKDONJSA-N 318.333 -0.049 30 20 DBED N#C[C@H](CCc1ccccc1)C(=O)N(CC(N)=O)CC(N)=O 1361754338 LHLWHNDXKNVJQW-LBPRGKRZSA-N 302.334 -0.442 30 20 DBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nn1ccnn1 1362611501 MYOQCJJTXDJPPH-SECBINFHSA-N 320.334 -0.413 30 20 DBED Cc1nc(C(=O)N2CCN(CC(N)=O)C(=O)C2)ccc1C#N 1362834635 OBYWZKCNUKQEHA-UHFFFAOYSA-N 301.306 -0.969 30 20 DBED CCn1cc(C(=O)NCCn2cc(C#N)c(O)nc2=O)c(C)n1 1363130290 VSHOIVYRKZDQDH-UHFFFAOYSA-N 316.321 -0.225 30 20 DBED CC[C@@]1(NC(=O)CCn2cc(C#N)c(O)nc2=O)CCOC1 1363140024 WOLKPGKJJWLLDA-CQSZACIVSA-N 306.322 -0.104 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)N2C[C@@H](CO)[C@@H](CO)C2)cc1 1363272073 XIABUWVTQBFQLI-OKILXGFUSA-N 317.345 -0.653 30 20 DBED COC(=O)[C@H]1C[C@@H](O)CN(S(=O)(=O)CC(C)(C)C#N)C1 1364016533 VPTRPAMEKWWANJ-VHSXEESVSA-N 304.368 -0.278 30 20 DBED Cc1cnn(CCC(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)c1 1371529671 WAOBTSLEQODJNC-UPJWGTAASA-N 319.365 -0.571 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C)C(=O)[C@H]1CCCS(=O)(=O)C1 1387084118 XQIMNTKOQJFQOK-QWRGUYRKSA-N 315.395 -0.455 30 20 DBED CCN(CCNC(=O)c1ccn2nnnc2c1)C(=O)[C@@H](C)C#N 1388363366 IQECWEZJKMJZRY-JTQLQIEISA-N 315.337 -0.138 30 20 DBED CC(C)c1cc(C(=O)NC[C@H](O)CNC(=O)[C@@H](C)C#N)nn1C 1392102260 QXBMELBTXFHHDD-WDEREUQCSA-N 321.381 -0.090 30 20 DBED CCCN(CCNC(=O)[C@@H](C)C#N)C(=O)CCS(C)(=O)=O 1398269777 KKCLMDZOEDROSB-NSHDSACASA-N 317.411 -0.064 30 20 DBED C[C@@H](C#N)C(=O)N(CCNC(=O)C[C@H]1CCC(=O)N1)C1CC1 1398325114 IZEQOSCFAFDTQJ-WDEREUQCSA-N 306.366 -0.078 30 20 DBED COc1nc(C)ccc1C(=O)NC[C@H](O)CNC(=O)[C@@H](C)C#N 1410118507 CABUNIWYUAXLBP-GXSJLCMTSA-N 320.349 -0.235 30 20 DBED N#CCCN(CCC#N)C(=O)CN1CCC(CO)(CO)CC1 1414035718 OIGZHZXVPFKVKS-UHFFFAOYSA-N 308.382 -0.291 30 20 DBED C[C@H](C#N)C(=O)N(C)CCNC(=O)CCn1ccccc1=O 1448929030 MKUGOPDOWBGASY-GFCCVEGCSA-N 304.350 -0.027 30 20 DBED C[C@@H]1C[C@H](CO)CN(C(=O)CCn2cc(C#N)c(O)nc2=O)C1 1451829384 NBTLCWDJFVPEHY-MNOVXSKESA-N 320.349 -0.312 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)C[C@@H]2CCC(=O)NC2)CC1 1453425253 QNQMZJMYSBGLMO-QWRGUYRKSA-N 306.366 -0.173 30 20 DBED CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)Nc1nn(C)cc1C#N 1476217265 FLQJQNUIORNVQG-IUCAKERBSA-N 313.339 -0.775 30 20 DBED C=CC[C@@H](C)NC(=O)[C@@H]1[C@H](O)C(=O)N(C)[C@H]1c1cnn(C)c1 1521002488 BJIBYHQJVTVNLJ-IXOXFDKPSA-N 306.366 -0.009 30 20 DBED CN(CCCc1[nH]nc(N)c1-c1nn[nH]n1)C(=O)[C@@H]1C[C@@H]1C#N 1579130999 UYVKIJRNMWXFEE-HTQZYQBOSA-N 315.341 -0.277 30 20 DBED CN(CCN1CCOCC1)c1cnc(C#N)c(-c2nn[nH]n2)n1 1579162658 PDHCYTUHTMNANC-UHFFFAOYSA-N 315.341 -0.703 30 20 DBED C#CCC1(O)CCN(S(=O)(=O)c2n[nH]cc2C(=O)O)CC1 1588431470 JFOWQQWOTOSURE-UHFFFAOYSA-N 313.335 -0.353 30 20 DBED CS(=O)(=O)CCCCn1c(N)nc(-c2nn[nH]n2)c1C#N 1591674783 WGRMHXFVZOKKLL-UHFFFAOYSA-N 310.343 -0.658 30 20 DBED N#Cc1c(N2CCO[C@H](C(=O)O)C2)cccc1S(N)(=O)=O 1594614279 OQMHLGQACTZFNC-JTQLQIEISA-N 311.319 -0.505 30 20 DBED COC[C@H](NC(=O)CCN/C(O)=C1\N=CC=CC1=O)C(=O)O 1599168409 ABQIMGVKGKIUMT-BVKVCPRXSA-N 311.294 -0.881 30 20 DBED C[C@@H](O)[C@H]1CCCN1C(=O)C(=O)N1CCC(C#N)(C(=O)O)CC1 1604387035 JCFYRDCAKZXOMT-GHMZBOCLSA-N 323.349 -0.425 30 20 DBED CON(C(=O)CCn1cc(C#N)c(O)nc1=O)[C@@H](C)CC(=O)O 1606987622 UIQKXQRXUWCUNT-QMMMGPOBSA-N 324.293 -0.536 30 20 DBED C[C@@](O)(CNC(=O)C(=O)Nc1ccc(C#N)cc1F)C(=O)O 1609943331 USWSPOHPVNWJBW-CYBMUJFWSA-N 309.253 -0.412 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)C(=O)N2CCC[C@H]2CC(=O)O)C1 1610620903 QMNXLFKMKRHJKP-IINYFYTJSA-N 309.322 -0.671 30 20 DBED CCOC(=O)[C@H]1CCCN(CC(=O)N2CC(O)(CC#N)C2)C1 1646245279 OAKLVJCFNQJDCV-LBPRGKRZSA-N 309.366 -0.252 30 20 DBED CC(C)c1nnnn1CC(=O)NCCN1CCN(CC#N)CC1 1752375290 VZSCHCBGLNBHDM-UHFFFAOYSA-N 320.401 -0.946 30 20 DBED C#CCNC(=O)CN(CC)CCNC(=O)c1ccnc(OC)c1 1753084033 BHBLGBJIZQSNCN-UHFFFAOYSA-N 318.377 -0.109 30 20 DBED C#CCNC(=O)CN1CC[C@H](CNC(=O)c2cn(CC)nn2)C1 1753137212 GFIKOXYAEONXCA-GFCCVEGCSA-N 318.381 -0.901 30 20 DBED C=CCN1CC[C@@H](N2CC[C@H](CCNC(=O)C(N)=O)C2)C1=O 1753334784 HJPADYWSFCHCTG-NWDGAFQWSA-N 308.382 -0.913 30 20 DBED C=CCNC(=O)CN(C)C[C@@H]1CCN(C(=O)c2cnn(C)n2)C1 1753358089 BZSGTIGQKDGBQM-LBPRGKRZSA-N 320.397 -0.489 30 20 DBED C=C(C)[C@H](CC(=O)NC1CN([C@@H]2CCC(=O)NC2=O)C1)OCC 1753379329 PJDCPEDGWOYXJJ-OLZOCXBDSA-N 323.393 -0.037 30 20 DBED C#CCNC(=O)CN1CC(CNC(=O)c2cccnc2OC)C1 1753409804 XMSOACWIRQFILE-UHFFFAOYSA-N 316.361 -0.499 30 20 DBED C#CCNC(=O)[C@@H](C)NCC[C@H](C)NC(=O)c1ncccn1 1754008152 ASXSZBBHXJZQEX-NWDGAFQWSA-N 303.366 -0.288 30 20 DBED C[C@H](CNCC(=O)NCC#N)NC(=O)CC1CCN(C)CC1 1754243147 AZVLAAXSCPBJSB-GFCCVEGCSA-N 309.414 -0.548 30 20 DBED Cn1nccc1COCC(=O)N1CCO[C@H](CNCC#N)C1 1755003472 NZNZEPZOFMSCAM-CYBMUJFWSA-N 307.354 -0.723 30 20 DBED CN(C[C@H](O)CNCCn1cncn1)C(=O)c1cc(C#N)c[nH]1 1755777997 PRSQXCYDXYKOHC-GFCCVEGCSA-N 317.353 -0.799 30 20 DBED CC(=O)N1CC(C(=O)N[C@H](C)[C@@H](C)NC(=O)C#CC2CC2)C1 1755963553 AYMOHWRWZSUXOF-GHMZBOCLSA-N 305.378 -0.113 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)CN(C)C(=O)Cc1cnc[nH]1 1756501640 XBXDWQREQBVZTH-LLVKDONJSA-N 319.365 -0.945 30 20 DBED CC(C)C#CC(=O)N(C)C[C@H](O)CN(C)C(=O)c1cn(C)nn1 1756685475 GLLVEXQAAMSCGL-LBPRGKRZSA-N 321.381 -0.634 30 20 DBED C#CCOCCC(=O)N1C[C@@H](NC(=O)c2nc[nH]n2)CC[C@H]1C 1756803739 PSEDUMDFMRYQKR-NEPJUHHUSA-N 319.365 -0.046 30 20 DBED C=CCOCC(=O)N1C[C@H]2CC[C@H]1[C@H](CNC(=O)CC(N)=O)C2 1756936687 ROVDRBRIPFZPLC-AVGNSLFASA-N 323.393 -0.192 30 20 DBED C#CC(=O)N1CC2(CCCN2C(=O)c2cc(O)nc(O)n2)C1 1843358615 AIYNPRWLHFZMBA-UHFFFAOYSA-N 302.290 -0.662 30 20 DBED C/N=C(/NCCNC(C)=O)N1CCO[C@H](c2cnn(C)c2)C1 261824719 UYEZTHHQCHRRCB-ZDUSSCGKSA-N 308.386 -0.495 30 20 DBED C[C@@H](CNc1c(C#N)c(=O)n(C)c(=O)n1C)Cn1ccnc1 264016935 NCQYUYZTPRNSOQ-JTQLQIEISA-N 302.338 -0.100 30 20 DBED C=CCCN(C)C(=O)C(=O)NCCNC(=O)c1cccnc1 284493714 IHTWXAVNCCCGSY-UHFFFAOYSA-N 304.350 -0.038 30 20 DBED C=CCN(CCC#N)C(=O)CNS(=O)(=O)CCCOC 292270119 GWNJTFXPCVZHMO-UHFFFAOYSA-N 303.384 -0.129 30 20 DBED C#CCN(CC)C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 299100971 DQNBLRQSPDCUOX-UHFFFAOYSA-N 300.318 -0.273 30 20 DBED CC/N=C(/O)NC(=O)[C@@H](C)N1CCN(Cc2nc(C)no2)CC1 330408263 PHRRGUSVIMWBAQ-SNVBAGLBSA-N 324.385 -0.066 30 20 DBED CN(C)S(=O)(=O)c1cc(/C(O)=N/C[C@@]2(O)CCOC2)co1 330470706 BEHTZMPAERONKJ-LBPRGKRZSA-N 318.351 -0.014 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N1CCC[C@@]2(CNC(=O)C2)C1 336937613 GYBSCZWQNRSKLE-DGCLKSJQSA-N 314.411 -0.075 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N[C@](C)(COC)C(=O)OC 336949110 RGUUUFPWSBWQEB-ZYHUDNBSSA-N 321.399 -0.120 30 20 DBED COC(=O)[C@@H]1CN(C(=O)[C@@H](C)n2cnc(C#N)n2)C[C@@H](C)O1 338198835 VAADVWWHDZOPPA-BBBLOLIVSA-N 307.310 -0.500 30 20 DBED Cc1cc(NC(=O)C(=O)N2CCO[C@@H](C)C2)nn1CCC#N 343252126 OXENDCXFMITJLN-NSHDSACASA-N 305.338 0.291 30 20 DBED C[C@H]1CN(CCCNC(=O)NCC(=O)NCC#N)C[C@H](C)O1 343885203 AUEYMUWNGDOVBT-RYUDHWBXSA-N 311.386 -0.575 30 20 DBED N#CCNC(=O)CNC(=O)c1cnc2c(c1)NC(=O)CS2 344166800 CQCPYUAAYCLPKE-UHFFFAOYSA-N 305.319 -0.505 30 20 DBED C=C[C@](C)(O)CC(=O)N(CCOC)[C@@H]1CCS(=O)(=O)C1 346351355 GIPHTZIMYITFQW-YPMHNXCESA-N 305.396 -0.024 30 20 DBED N#CC1(NC(=O)CN2CCC[C@@H](S(N)(=O)=O)C2)CCC1 347004099 ANONBQDYJSXRNQ-SNVBAGLBSA-N 300.384 -0.698 30 20 DBED CC(C)CN1CCN(C(=O)NCCn2cnc(C#N)n2)CC1=O 347633643 MAZRYJYDONSCEJ-UHFFFAOYSA-N 319.369 -0.340 30 20 DBED Cn1cc(-c2noc(C3(C#N)CCOCC3)n2)c(=O)n(C)c1=O 350248260 JPHPKIWRHKAUOL-UHFFFAOYSA-N 317.305 -0.294 30 20 DBED N#CCNC(=O)CNC(=O)N[C@@H]1CC(=O)N(C2CCCCC2)C1 358268416 BSPFYCQEVMYEDV-LLVKDONJSA-N 321.381 -0.141 30 20 DBED C[C@@H](C#N)N(C)S(=O)(=O)c1cnc2c(c1)c(O)nc(=O)n2C 359010219 OEEZKKHUEQCLAN-ZETCQYMHSA-N 323.334 -0.433 30 20 DBED CC(C)OC[C@@H](CO)N(C)c1c(C#N)c(=O)n(C)c(=O)n1C 432874402 WODREGZJJOTBSB-SNVBAGLBSA-N 310.354 -0.822 30 20 DBED C=CCn1nnnc1SCC(=O)N1CCCC[C@H]1C(N)=O 505842831 QXDOTNUVDWJKFR-VIFPVBQESA-N 310.383 -0.182 30 20 DBED COC[C@H](NS(=O)(=O)c1ccc(C#N)cc1OC)C(=O)O 548214104 HEFAEFICGXMRJG-VIFPVBQESA-N 314.319 -0.055 30 20 DBED N#CCC1(CS(=O)(=O)N2CC[S@@](=O)C[C@@H]2C(=O)O)CC1 578327172 SQSHYDVOGZZAKB-AYLIAGHASA-N 320.392 -0.472 30 20 DBED CN(C)[C@H]1CN(c2ncnc3c2cnn3CCC#N)C[C@@H]1O 589692504 FSZAYFYNTXIFJG-RYUDHWBXSA-N 301.354 -0.149 30 20 DBED N#CC1CN(C(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)C1 590490878 RLIFYZHYMNWXLS-ZDUSSCGKSA-N 306.366 -0.851 30 20 DBED CCN(C[C@@H](C)C#N)C(=O)Cn1cnc2c(nnn2C)c1=O 592353926 RGCFMSNWDFKIPR-VIFPVBQESA-N 303.326 -0.467 30 20 DBED CN(CCC#N)C[C@H](O)CNCc1cc(=O)n2ccccc2n1 592998896 ZTQKKZVIWODSQN-CQSZACIVSA-N 315.377 -0.010 30 20 DBED CCN1C[C@@H](CNS(=O)(=O)N(C)[C@H](C)CC#N)CC1=O 593642026 XDLRDRGJKMHWPJ-GHMZBOCLSA-N 302.400 -0.077 30 20 DBED N#CCc1ccc(OC[C@H](O)CN2C[C@H](O)[C@@H](CO)C2)cc1 595539459 NDUGTVTZTFNVMZ-FMKPAKJESA-N 306.362 -0.223 30 20 DBED C[C@H](C#N)CN(C)C(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)O)C1 595990301 PQKVFRCYKULBJN-GPCCPHFNSA-N 309.322 -0.836 30 20 DBED N#CCCN(CCC#N)C(=O)CN1CCc2cnc(N)nc2C1 598946582 HEVXPKORNWOAOU-UHFFFAOYSA-N 313.365 0.073 30 20 DBED COC(=O)C[C@H](O)CNS(=O)(=O)Cc1cccc(C#N)c1 599462215 MMVBCCSRYYQOIS-LBPRGKRZSA-N 312.347 -0.098 30 20 DBED N#CCc1cccc(NC(=O)C(=O)NCCN2CC[C@@H](O)C2)c1 600071352 YYACCRTWFCMIDI-CQSZACIVSA-N 316.361 -0.126 30 20 DBED CN(C1CCNCC1)S(=O)(=O)N1CCN(CCC#N)CC1 601349122 HFWDCECCIDVHBQ-UHFFFAOYSA-N 315.443 -0.554 30 20 DBED N#CCC1(CN[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)CC1 602790454 JLYOPKSGHIPYRF-STQMWFEESA-N 313.423 -0.232 30 20 DBED Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)N[C@]1(C#N)CC1(C)C 615059374 YGPIWMTVYIZHRV-ZDUSSCGKSA-N 324.362 -0.336 30 20 DBED CC#CC[C@H](CO)NS(=O)(=O)c1ccc(-n2cnnn2)cc1 645883091 LGRZYYKHAQKYBD-LLVKDONJSA-N 321.362 -0.285 30 20 DBED CC#CC[C@@H](CO)NC(=O)C1CCN(S(=O)(=O)CC)CC1 649192185 BFXQUSVFVOOZMY-ZDUSSCGKSA-N 316.423 -0.061 30 20 DBED C#CC[C@@H](CO)NC(=O)C1CCN(S(=O)(=O)CC)CC1 717770102 OFDUIXWEQWXRDV-LBPRGKRZSA-N 302.396 -0.452 30 20 DBED Cc1cc(C(=O)OCC(=O)NCC#N)ccc1-n1cnnn1 731240168 FACIEKIZJIULFQ-UHFFFAOYSA-N 300.278 -0.233 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)C[C@@H](O)CN1CCOCC1 751430839 LGHZHDVTDPPLGN-CABCVRRESA-N 309.410 -0.765 30 20 DBED C[C@@H](CC#N)OC(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1 756281030 DUCIDAXALJMBKP-IUCAKERBSA-N 300.340 -0.068 30 20 DBED C#CCNC(=O)CN1CCN(CC(=O)NCC#C)[C@@H](CCC)C1 759719020 UJQNQXJRNVSKQL-HNNXBMFYSA-N 318.421 -0.729 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C)[C@@H]1CCCO1 774249962 NUNKOKODBOXNSL-QPSCCSFWSA-N 319.405 -0.022 30 20 DBED COCCN1CN(C(=O)NCc2ccc(C#N)cn2)CC1=O 808306989 IZMGLUAHTQRFHT-UHFFFAOYSA-N 303.322 -0.089 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C)[C@H]1CCCO1 809313539 VLFLGGVPUITNTQ-FAAHXZRKSA-N 319.405 -0.118 30 20 DBED C#C[C@H](NC(=O)C(=O)N(CCO)CCCOC)[C@H]1CCCO1 809313680 WOHOQGBISSJPTA-QWHCGFSZSA-N 312.366 -0.859 30 20 DBED C=CCC(F)(F)C(=O)N(C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 815013748 QZGOQJLMDQLBHM-SECBINFHSA-N 324.349 -0.041 30 20 DBED COC(=O)CN(CC#N)C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 821662901 YOLPZWFMGGQQSL-GFCCVEGCSA-N 316.321 -0.101 30 20 DBED CC(C)[C@](C)(C#N)NC(=O)Cn1cnc(C#N)c1-c1nn[nH]n1 824184283 FDZBKCAOTDDQQQ-ZDUSSCGKSA-N 313.325 -0.011 30 20 DBED C#CCN1CCN(S(=O)(=O)c2csnc2C(=O)O)CC1 833365820 SSQVVIOMGWTSBP-UHFFFAOYSA-N 315.376 -0.219 30 20 DBED C=CCNC(=O)CNC(=O)N1CCN(CCC(=O)O)C[C@H]1C 833377110 MRTYDDGEYUMQMY-LLVKDONJSA-N 312.370 -0.521 30 20 DBED N#C[C@H]1CNC[C@@H]1NC(=O)c1cccnc1N1CCOCC1 834484665 LMFIOIVIBKXIPK-AAEUAGOBSA-N 301.350 -0.240 30 20 DBED C#C[C@H](NC(=O)C(=O)N1C[C@@H]2CCC[C@H](N)[C@H]2C1)[C@@H]1CCCO1 842161776 COBCIAMCCSKHSQ-YTFOTSKYSA-N 319.405 -0.131 30 20 DBED C/N=C(/NCCN1CCOCC1)NCc1ccc(C#N)cn1 849020894 SUPFBAHXFIFVQK-UHFFFAOYSA-N 302.382 -0.050 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCO[C@@H](COCC)C1)[C@H]1CCCO1 875324690 MUFIKHUHKRGHCQ-HZSPNIEDSA-N 324.377 -0.453 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1ccc(=O)n(C)c1 919204261 NDCMOMARPSWHCX-VIFPVBQESA-N 307.306 -0.058 30 20 DBED CS(=O)(=O)N1CC(CNC(=O)N2CCC[C@@H](C#N)C2)C1 922089649 GRKCKNKJAHENEI-JTQLQIEISA-N 300.384 -0.177 30 20 DBED Cn1nncc1C(=O)N1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 937851726 SPUJNMBFHPFHQM-JTQLQIEISA-N 313.321 -0.341 30 20 DBED C=CCN1CC[C@@H](N2CCC[C@H](N(C)C(=O)C(N)=O)CC2)C1=O 948736729 BTEFTBNSKYQZHL-QWHCGFSZSA-N 322.409 -0.429 30 20 DBED CN(C(=O)Cn1cnnn1)C1CCN(C(=O)C#CC2CC2)CC1 953744524 HTLLUBYJWMVWMW-UHFFFAOYSA-N 316.365 -0.464 30 20 DBED CC#CCN1C[C@@H](O)[C@H](CNC(=O)c2nnn(C(C)(C)C)n2)C1 958076360 DTZWHDBDGLQVQO-VXGBXAGGSA-N 320.397 -0.526 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1[C@@H]2CN(CC(=O)N3CCC3)C[C@@H]21 961825091 LRXWQSYIADBUQR-NJURLYQPSA-N 319.405 -0.144 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H](NC(=O)C(N)=O)CC1 965138571 LCYREQORWUIPLV-XQQFMLRXSA-N 323.393 -0.050 30 20 DBED COc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)cn1 968816700 CPDWZVKIZLDQOO-JLLWLGSASA-N 318.333 -0.449 30 20 DBED CC(=O)N1CC(C(=O)N2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H](C)C#N)C1 969806121 QDSYMYYBCSDRQE-LEWSCRJBSA-N 318.377 -0.174 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)c3cc(=O)n(C)o3)[C@@H]2C1 971941949 GUHCLADRJCSORX-HBNTYKKESA-N 318.333 -0.189 30 20 DBED C=CCN1CCO[C@@]2(CCN(C(=O)c3cn(C)c(=O)cn3)C2)C1 972472328 VUDJBQOUBCRYGA-INIZCTEOSA-N 318.377 -0.117 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]1CN(C)C(=O)c1cn(C)c(=O)cn1 978163482 XQVLPKKTHVIPSI-WDEREUQCSA-N 317.349 -0.387 30 20 DBED C#CCCN1C[C@@H]2C(CNC(=O)c3cnc(O)n(C)c3=O)[C@H]2C1 978604971 ZEIAEMPBIXQFEQ-CHWSQXEVSA-N 316.361 -0.583 30 20 DBED C#CCN1CCCN(C(=O)CCc2nnc(O)nc2O)CC1 981535285 QKJLYIYVSWUGDV-UHFFFAOYSA-N 305.338 -0.617 30 20 DBED C=CCn1cc(C(=O)N2CCCN([C@H]3CCNC3=O)CC2)nn1 982113611 MJWYVWPGAJTCNS-ZDUSSCGKSA-N 318.381 -0.500 30 20 DBED C=CCn1cc(C(=O)N2CCCN([C@@H](C)C(N)=O)CC2)nn1 982113957 SNGFFXCSHWMLKP-NSHDSACASA-N 306.370 -0.514 30 20 DBED C[C@H](C(=O)N1CCC(N(C)CC#N)CC1)N1C(=O)CCC1=O 985460632 BJDWKBJHCSREPV-LLVKDONJSA-N 306.366 -0.030 30 20 DBED N#Cc1c[nH]c(C(=O)NC2CN(C(=O)c3ccc(O)nn3)C2)c1 990696832 VOSQZFWXYLXJLV-UHFFFAOYSA-N 312.289 -0.364 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CCN(C(=O)c3cnn[nH]3)C[C@@H]2O)C1 991758453 QZZNEPGPXGCUFL-PWSUYJOCSA-N 319.365 -0.147 30 20 DBED CC#CCN1CC=C(CNC(=O)c2nccnc2C(N)=O)CC1 1001429145 GFXKRADCENFLDN-UHFFFAOYSA-N 313.361 -0.039 30 20 DBED CC#CCN1CCC[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)C1 1009383855 SJLNMQWUWXQDBV-CYBMUJFWSA-N 305.382 -0.506 30 20 DBED O=C(C#CC1CC1)N1CCN(C(=O)CN2CCCC2=O)CC1 1010255715 QHFNXUZUPPHMSQ-UHFFFAOYSA-N 303.362 -0.307 30 20 DBED C=CC(C)(C)C(=O)N1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)CC1 1011314012 RLUYATUROHKMJS-JTQLQIEISA-N 322.365 -0.533 30 20 DBED C=CCCn1cc(C(=O)N2C[C@H](NC(=O)C(N)=O)C[C@H]2C)nn1 1012727568 IMXLKXHAPZCZHY-NXEZZACHSA-N 320.353 -0.941 30 20 DBED C[C@@H]1[C@H](NC(=O)C(N)=O)CCCN1C(=O)c1ccc(C#N)[nH]1 1015177337 HVWWISUVODCXNG-PSASIEDQSA-N 303.322 -0.519 30 20 DBED C=CCN1CC[C@@H](N[C@H]2CCN(C(=O)Cn3ccnc3)C2)C1=O 1019867863 NQFGFNRSJYGYEJ-UONOGXRCSA-N 317.393 -0.140 30 20 DBED N#Cc1c[nH]c(C(=O)NC2CN(CCN3C(=O)CCC3=O)C2)c1 1030199093 XSSZTEANAQUTLO-UHFFFAOYSA-N 315.333 -0.551 30 20 DBED C=CCN1CC[C@H](N2CC(CNC(=O)[C@H]3CCCN3C)C2)C1=O 1031584743 JKAKRUVOQXFNQZ-CABCVRRESA-N 320.437 -0.085 30 20 DBED C#Cc1cncc(C(=O)N2C[C@@H]3C[C@H]2CN3Cc2nnnn2C)c1 1032617638 KITJNCDHZZTENU-KBPBESRZSA-N 323.360 -0.315 30 20 DBED COc1c[nH]c(C(=O)NC[C@H]2CN(CC#N)CCO2)cc1=O 1035453373 WSDMMFYQILUATF-JTQLQIEISA-N 306.322 -0.662 30 20 DBED C#CCN1CCO[C@H](CNC(=O)c2ccc3oc(O)nc3n2)C1 1035578133 URVYNTLTTGZWFH-SNVBAGLBSA-N 316.317 -0.008 30 20 DBED C#CCN[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C[C@@H]1CC 1037985529 LNUZYBSCFGRHLT-NWDGAFQWSA-N 306.366 -0.612 30 20 DBED Cc1ccnc(C(=O)NC[C@@]2(O)CCN(C(=O)[C@@H](C)C#N)C2)n1 1039596623 WCMZZJVAHADQKA-BONVTDFDSA-N 317.349 -0.362 30 20 DBED C[C@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)c2cscn2)C1 1040762456 IILQZZGVHLZFDQ-NOZJJQNGSA-N 308.363 -0.004 30 20 DBED C[C@@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)Cc2cc[nH]n2)C1 1040762507 JDEBQAYWPJIOEY-IINYFYTJSA-N 305.338 -0.809 30 20 DBED C[C@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)CN2CCCC2)C1 1040766061 MLXJAXIRMKBISB-DOMZBBRYSA-N 308.382 -0.679 30 20 DBED N#Cc1nccc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[C@@H]3C(F)F)C2)n1 1041008007 MQJJPNSZWPZUJZ-AXTSPUMRSA-N 323.303 -0.085 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)CN2CC[C@@H](C)C2)C1 1041963515 RFYMEAZZPKJFGM-CYBMUJFWSA-N 309.410 -0.016 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)Cc2cn(C)nc2C)C1 1041972978 MPZNLDDCMRVHAS-UHFFFAOYSA-N 320.393 -0.073 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)CCOCC)C1 1042009078 FVCNSVDERBYHFE-LBPRGKRZSA-N 314.382 -0.306 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)c2ccncc2)C1 1042034816 FBBSTSDDRAQHPK-UHFFFAOYSA-N 305.334 -0.413 30 20 DBED O=C(C[C@@H]1CCOC1)NCC1(O)CN(C(=O)C#CC2CC2)C1 1042245081 NIRQHPSXJKNHJE-ZDUSSCGKSA-N 306.362 -0.484 30 20 DBED N#Cc1ccc(C(=O)NCC2(O)CN(C(=O)c3cc[nH]n3)C2)[nH]1 1042608531 FWTYOYPQEWGPQQ-UHFFFAOYSA-N 314.305 -0.774 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)Cc2nnc(C)o2)C1 1042802226 GXWLZYIPXWIBDK-UHFFFAOYSA-N 320.349 -0.586 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(O)CN(C(=O)[C@H](F)CC)C1 1042815009 VGTAHBJVPMFSKQ-MFKMUULPSA-N 302.346 -0.249 30 20 DBED CCCC(=O)NCC(=O)N1CC(O)(CNC(=O)C#CC(C)C)C1 1042936538 LKRHIXFLFYHFML-UHFFFAOYSA-N 323.393 -0.748 30 20 DBED O=C(C#CC1CC1)NCC1(O)CN(C(=O)C2=COCCC2)C1 1042959049 UQRNKSSVETUPIZ-UHFFFAOYSA-N 304.346 -0.216 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2ccon2)C1 1043036817 ROPMJNUPXKWKRP-JTQLQIEISA-N 307.306 -0.984 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)C[C@@H](C)n2ccnc2)C1 1043077819 RKDUMZMTFOCLFI-NWDGAFQWSA-N 319.365 -0.317 30 20 DBED N#Cc1cncc(N2C[C@H](O)[C@H](NC(=O)[C@@H]3CCCO3)C2)n1 1043825575 JECYFZLZQSYYLT-WOPDTQHZSA-N 303.322 -0.807 30 20 DBED C=CCN[C@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)[C@@H](C)C1 1044872120 NTORZHXDYSFZKS-QWRGUYRKSA-N 306.370 -0.468 30 20 DBED CC#CCCCC(=O)NCC1(O)CN(C(=O)[C@@H](C)NC(C)=O)C1 1045003297 QDXUNBPUTQOHIB-GFCCVEGCSA-N 323.393 -0.606 30 20 DBED CC[C@@H]1CCO[C@@H]1C(=O)N1CC(O)(CNC(=O)[C@@H](C)C#N)C1 1045564768 MWYCKEQMFACMPS-TUAOUCFPSA-N 309.366 -0.349 30 20 DBED C=C(C)CCC(=O)N1CC(O)(CNC(=O)Cc2nonc2C)C1 1045641436 NVPGGFLMKSQFEQ-UHFFFAOYSA-N 322.365 -0.034 30 20 DBED C=C1CC(C)(C(=O)N(C)[C@H]2CN(CC(=O)N(C)C)C[C@@H]2O)C1 1047516381 AUAGXIDKEDHFNV-STQMWFEESA-N 309.410 -0.066 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)CC)C1 1048284588 FDZRLXXDFGRLCH-AVGNSLFASA-N 323.393 -0.798 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cncnc2)C1 1048718266 NQOKIYKDBPGQNU-STQMWFEESA-N 320.349 -0.677 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)Cn2ccnc2)C[C@@H]1O 1049408740 UTFKNOVGBYOIBB-WOPDTQHZSA-N 305.338 -0.927 30 20 DBED C#CCN1C[C@@H]2CCCN(C(=O)CN3CCC(=O)NC3=O)[C@@H]2C1 1050179409 DYOCGTBXKLYNQE-QWHCGFSZSA-N 318.377 -0.516 30 20 DBED C#CCCCC(=O)N1CC[C@@H]([C@H](C)NC(=O)CNC(N)=O)C1 1050579741 DPFBDQBAFLJZHK-NWDGAFQWSA-N 308.382 -0.189 30 20 DBED C=CCCN1CCOC[C@H]1CNC(=O)[C@@H]1CCCS1(=O)=O 1051254351 HCHRCBCDJQZKKJ-OLZOCXBDSA-N 316.423 -0.043 30 20 DBED Cc1nonc1CC(=O)N1CC[C@H](N2CCN(CC#N)CC2)C1 1052102884 KFDUDIWXFDVTBC-ZDUSSCGKSA-N 318.381 -0.337 30 20 DBED C=CCN1CC[C@@H](N2CC3(CN(C(=O)COC)CCO3)C2)C1=O 1053110387 ILTFYCSPTBIPQW-CYBMUJFWSA-N 323.393 -0.667 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)[C@@]1(C)CNC(=O)C1)CCO2 1053357564 WMUNNFMUDPHPLF-OAHLLOKOSA-N 305.378 -0.551 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)CCc1cnn(C)n1)CCO2 1053431950 QNWKDFRWAUBJTE-UHFFFAOYSA-N 317.393 -0.316 30 20 DBED C=CCOCC(=O)N1CCC[C@](CO)(NC(=O)COC)C1 1055705022 FDWKDKIZMIAGQL-AWEZNQCLSA-N 300.355 -0.695 30 20 DBED C=CCCC(=O)N[C@]1(CO)CCCN(C(=O)CNC(C)=O)C1 1055826166 XZIGYPFRKGDRJV-OAHLLOKOSA-N 311.382 -0.442 30 20 DBED N#Cc1ccc(N2CCN(C(=O)C(N)=O)CC2)c([N+](=O)[O-])c1 1055999264 DQBPCNCDKDKACK-UHFFFAOYSA-N 303.278 -0.400 30 20 DBED N#Cc1cnccc1N1C[C@H]2[C@H](NC(=O)Cn3cncn3)[C@H]2C1 1056215485 FHQHFTUQTBHTGB-JYAVWHMHSA-N 309.333 -0.204 30 20 DBED CN1CC[C@H](C(=O)NC2[C@H]3CN(c4ccc(C#N)nn4)C[C@H]23)C1 1056228010 NNJYFCOGUFSSGY-DRZSPHRISA-N 312.377 -0.149 30 20 DBED N#Cc1nc(=N[C@@H]2CCN(C(=O)C[C@@H]3COC(=O)C3)C2)cc[nH]1 1056608059 VUONVFGHUULXNT-WDEREUQCSA-N 315.333 -0.264 30 20 DBED CN(c1nccnc1C#N)[C@H]1CCN(C(=O)CS(C)(=O)=O)C1 1056854498 DZNWHVYHAUJINW-JTQLQIEISA-N 323.378 -0.570 30 20 DBED O=C(C#CC1CC1)NCCN(CCO)C(=O)CCn1ccnc1 1058200899 ZNPGHUBZYKZFNN-UHFFFAOYSA-N 318.377 -0.376 30 20 DBED C#Cc1ccc(C(=O)N(CCO)CCNC(=O)COCC)cn1 1058238440 DBXRWPKKBZJGCG-UHFFFAOYSA-N 319.361 -0.350 30 20 DBED Cn1oc(C(=O)N[C@H]2CCN(c3nccnc3C#N)C2)cc1=O 1058336191 PZFBBMDLGGLYQX-VIFPVBQESA-N 314.305 -0.351 30 20 DBED N#Cc1cncc(N2CC[C@@H](NC(=O)[C@@H]3COC(=O)N3)C2)n1 1058350982 XMUWEVPOPISMRV-SCZZXKLOSA-N 302.294 -0.848 30 20 DBED N#Cc1ccc(N2CC[C@H](NC(=O)C3CS(=O)(=O)C3)C2)nn1 1058456139 GYLMFTPCFFHHHJ-NSHDSACASA-N 321.362 -0.912 30 20 DBED CCc1cnc(CC(=O)NCCN(CCO)C(=O)[C@H](C)C#N)[nH]1 1058660606 DLDLVVBJWCVXKO-LLVKDONJSA-N 321.381 -0.389 30 20 DBED N#Cc1nc(=N[C@H]2C[C@@H](NC(=O)[C@@H]3CCNC(=O)C3)C2)cc[nH]1 1059596511 FVKDYBIBTBMRAS-MXWKQRLJSA-N 314.349 -0.645 30 20 DBED Cc1cc(C#N)nc(N[C@H]2C[C@@H](NC(=O)[C@H]3CNC(=O)N3)C2)n1 1059802596 GTLHJEYRWUBVSM-WCABBAIRSA-N 315.337 -0.603 30 20 DBED N#Cc1nc(=NC[C@H]2CCN(C(=O)Cc3cc[nH]n3)C2)cc[nH]1 1060837185 XZFQUBUNTNZYPB-LLVKDONJSA-N 311.349 -0.004 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)Cc1ccnn1C 1061535665 IWNXTNPKNPICEX-WCQYABFASA-N 319.365 -0.534 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(NC(=O)CCNC(N)=O)CCC1 1063043371 OQUSNJLYLJDWBG-LLVKDONJSA-N 324.381 -0.762 30 20 DBED C#Cc1ccc(C(=O)NC2(CNC(=O)C(N)=O)CCC2)cn1 1064289645 DMZWRDUMUYDZPK-UHFFFAOYSA-N 300.318 -0.683 30 20 DBED N#Cc1ccc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)Cn2nccn2)nc1 1064300923 KSRLSZUINWMRCY-XUJVJEKNSA-N 309.333 -0.062 30 20 DBED N#Cc1ccc(NC[C@@H]2CCCN2C(=O)Cn2ncnn2)nn1 1064956832 ORQKTXMEPSYHNJ-NSHDSACASA-N 313.325 -0.562 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CN(C(=O)C(=O)NCC2CC2)CCO1 1065533026 WPSJFSSFRLLECD-CMPLNLGQSA-N 322.365 -0.984 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@H](CNC(=O)CCCC(N)=O)C1 1065562021 VTRUAAMXTLDIAP-WDEREUQCSA-N 310.354 -0.855 30 20 DBED CN(c1cncc(C#N)n1)C1CCN(C(=O)CC(N)=O)CC1 1068658813 KZMLFJUMNYEWTB-UHFFFAOYSA-N 302.338 -0.349 30 20 DBED CC1(C)CN(C(=O)CC(N)=O)C[C@@H]1Nc1ccc(C#N)nn1 1069548571 WZKXKOXOPODPID-JTQLQIEISA-N 302.338 -0.127 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)c2cncn2C)CCOCC1 1070232064 BNMFYOAZASCVDJ-NSHDSACASA-N 319.365 -0.025 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC[C@@H](NC(=O)c2cnn[nH]2)C1 1070729620 TVXMFTKFLHLACE-WDEREUQCSA-N 305.338 -0.436 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC[C@@H](NC(=O)C(C)(C)C(N)=O)C1 1070731989 RTUXROGAPUMIEM-VXGBXAGGSA-N 323.393 -0.357 30 20 DBED CC#CCN1C[C@H]2C[C@H]3CN(C(=O)c4cnnn4C)C[C@@]3(C1)O2 1070794145 ZDQMARMYLZMRQH-WOSRLPQWSA-N 315.377 -0.246 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CCCN(C(=O)[C@H]2CNC(=O)N2)C1 1071208045 UHJDSEDFFQBTKU-VXGBXAGGSA-N 306.366 -0.566 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CN(C(=O)COCC)C[C@@H]1C 1071529477 JIULSSUOVAYPGE-RYUDHWBXSA-N 309.366 -0.875 30 20 DBED C#CCOCCC(=O)N1C[C@H](C)[C@H](NC(=O)c2nc[nH]n2)C1 1072101610 PUXWVLHVFOONPR-WDEREUQCSA-N 305.338 -0.579 30 20 DBED C=CCCOCC(=O)N1C[C@@H](C)[C@@H](NC(=O)c2cn(C)nn2)C1 1072334213 YAHUVZVPVKHWFK-NEPJUHHUSA-N 321.381 -0.016 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CN(C(=O)CCCF)C[C@H]1C 1072537988 RWVWVZSOIBMVGT-NEPJUHHUSA-N 311.357 -0.161 30 20 DBED COc1cc(C(=O)NC[C@H]2CN(CC#N)CCCO2)nn1C 1073690339 UHDRDGYWDVWVJA-NSHDSACASA-N 307.354 -0.227 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)[C@@H]2CN(C(C)=O)CCO2)C1 1073876618 HWZCPWJPXSKPRC-CABCVRRESA-N 323.393 -0.926 30 20 DBED C=C[C@H](C)[C@H](C)C(=O)NCC1(O)CCN(C(=O)C(N)=O)CC1 1074703919 WOLCLEZEFGSJRP-QWRGUYRKSA-N 311.382 -0.600 30 20 DBED C[C@H](C#N)C(=O)N1CCC(O)(CNC(=O)[C@H]2CCN(C)C2)CC1 1074706628 NPHQRKRLXKSOQI-OLZOCXBDSA-N 322.409 -0.433 30 20 DBED C#CCOCCC(=O)N[C@@H](C)CCNC(=O)c1cncnc1O 1077077889 YCEVHVBZBNRTGH-NSHDSACASA-N 320.349 -0.153 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)c2cnc3c(c2)ncn3C)C1 1077503795 DYCVOOAJHDEJTK-ZIAGYGMSSA-N 313.361 -0.234 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2cc(C(F)(F)F)n[nH]2)C1 1077838513 ZLOGHVPISJXXLC-RKDXNWHRSA-N 302.256 -0.163 30 20 DBED C=CCOCC(=O)N(CC)C1CN(C(=O)CNC(=O)NC)C1 1079494138 SPKSLJLJRBFZFT-UHFFFAOYSA-N 312.370 -0.823 30 20 DBED C#CCNC(=O)CC(=O)N1CC(N(CC)C(=O)[C@H](C)C#N)C1 1080411026 CPONPPOUPQGORE-LLVKDONJSA-N 304.350 -0.655 30 20 DBED CC#CCN1C[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)[C@H](C)C1 1080547873 ZULQFPGNCRIQIF-DGCLKSJQSA-N 318.377 -0.843 30 20 DBED CC#CCN1C[C@@H](NC(=O)C2CC3(C2)NC(=O)NC3=O)[C@H](C)C1 1080599113 PYNWIWWAQVAMDN-QZCIIZHISA-N 318.377 -0.566 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)Cn2cccn2)C[C@@H]1O 1081344065 LRNUCHWWMHOCGT-OLZOCXBDSA-N 322.365 -0.979 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1O 1081464029 VCYUSQWUESCMGY-WCQYABFASA-N 319.365 -0.976 30 20 DBED C=CCCOCC(=O)NC[C@@H]1CN(C(=O)COC)C[C@@H]1O 1081566719 MAXLBEQNACQELI-NEPJUHHUSA-N 300.355 -0.839 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1 1081761634 IRNFQLKSOQQIOF-JHJVBQTASA-N 322.409 -0.028 30 20 DBED C=CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CCN1C(=O)CCC1=O 1083135609 KSJNKBUTIGIXJU-QWHCGFSZSA-N 321.377 -0.377 30 20 DBED Cn1cc([C@@H]2CN(C(=O)Cc3cnc[nH]3)C[C@H]2NCC#N)cn1 1086999785 VTCROUJPTPOVFO-UONOGXRCSA-N 313.365 -0.207 30 20 DBED CCN(c1nccnc1C#N)[C@H](C)CNC(=O)[C@H](C)NC(N)=O 1089631592 NWMGTHBPPFYKCV-ZJUUUORDSA-N 319.369 -0.264 30 20 DBED CC(=O)N[C@@H](C)C(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1O 1090369091 SJETZMSQGYZBCW-ZWKOPEQDSA-N 317.349 -0.856 30 20 DBED C=C(C)CCN1CC[C@@H](NC(=O)c2c[nH]c(=O)cn2)[C@H](O)C1 1090527054 WMLVTSDVVMIYQR-DGCLKSJQSA-N 306.366 -0.099 30 20 DBED C#CCCN1CC[C@@H](NC(=O)Cn2ccccc2=O)[C@H](O)C1 1090797533 CRWQRQQZSFVDER-ZIAGYGMSSA-N 303.362 -0.577 30 20 DBED C=CCCN1CC[C@H](NC(=O)c2ccc(C(N)=O)nc2)[C@@H](O)C1 1090851651 HAAJDIAITQPREX-JSGCOSHPSA-N 318.377 -0.078 30 20 DBED CO[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1NC(=O)[C@H](O)C(C)C 1090882336 XEHWQSMRTXJKGP-JTNHKYCSSA-N 319.365 -0.315 30 20 DBED CC(=O)N[C@@H](C)C(=O)NCC1CC(N=c2cc[nH]c(C#N)n2)C1 1092186517 QRULFYHZAPJUPZ-GCVQQVDUSA-N 316.365 -0.399 30 20 DBED C=CCN1CC2(C[C@@H](NC(=O)[C@H]3CCC(=O)N3)c3nccn32)C1 1092356179 GZMDXTQHFNJIEH-VXGBXAGGSA-N 315.377 -0.080 30 20 DBED Cc1ccn2ncc(C(=O)NCCN=c3cc[nH]c(C#N)n3)c2n1 1093756974 XRZMYCSIFRHUIJ-UHFFFAOYSA-N 322.332 -0.037 30 20 DBED N#Cc1cnc(NCCNC(=O)[C@@H]2CNC(=O)N2)c(Cl)c1 1094105000 YPHLPSBUGVWPES-VIFPVBQESA-N 308.729 -0.184 30 20 DBED C#CCCN1CCN(C(=O)[C@H](C)OC)[C@@H]2CS(=O)(=O)C[C@@H]21 1094612955 VLPQWTIAUVPGBO-RWMBFGLXSA-N 314.407 -0.646 30 20 DBED CC#CCN1CC(N2C[C@@H](NC(=O)C[C@H]3CCOC3)CC2=O)C1 1094717870 PIEQBXYPLXIDBG-KGLIPLIRSA-N 319.405 -0.162 30 20 DBED COCC(=O)N(C)CC(=O)NCCCNc1ncccc1C#N 1094849605 IYSDYRZAGVBWDU-UHFFFAOYSA-N 319.365 -0.024 30 20 DBED N#Cc1nc(=NC2CCN(C(=O)CCNC(N)=O)CC2)cc[nH]1 1095228764 WLQXQLYWDZVGGL-UHFFFAOYSA-N 317.353 -0.769 30 20 DBED CCNC(=O)CC(=O)N[C@H]1CCCN(c2cnc(C#N)cn2)C1 1096161923 WNJOPMAYQRSYTK-NSHDSACASA-N 316.365 -0.041 30 20 DBED N#Cc1cncc(N2CC[C@H](NC(=O)C(=O)NCC3CC3)C2)n1 1096417863 VXNIJWALPVZJFK-NSHDSACASA-N 314.349 -0.431 30 20 DBED C=CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cn1nc(C)n(C)c1=O 1096456141 XPTUPTMADURRRY-AGIUHOORSA-N 305.382 -0.202 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](Nc2ncc(F)cn2)C1 1096934441 IQXMASFEFZLNBU-NSHDSACASA-N 305.313 -0.232 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCNC(=O)C1)Nc1cnc(C#N)cn1 1097774411 QGQQLWMSDIYCIR-UWVGGRQHSA-N 302.338 -0.209 30 20 DBED CCn1nc(C)c(C(=O)NC[C@H](C)N=c2cc[nH]c(C#N)n2)n1 1097926470 AZVBZJDPRPAKGM-VIFPVBQESA-N 314.353 -0.080 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CCNC(=O)CC1)N=c1cc[nH]c(C#N)n1 1098170546 AJNXSKZPHAHESS-QWRGUYRKSA-N 316.365 -0.397 30 20 DBED C#CCC1(C(=O)N2CCC(N(CCO)CC(N)=O)CC2)CCC1 1098389301 GMJPIJTXFKNLOK-UHFFFAOYSA-N 321.421 -0.049 30 20 DBED C[C@]1(C(=O)N2CCC(N(CC#N)CCO)CC2)CNC(=O)C1 1098436938 DUKGYPNLBLGJNY-OAHLLOKOSA-N 308.382 -0.679 30 20 DBED Cn1cc(C(=O)N2C[C@@H](NCC#N)[C@H](C(F)(F)F)C2)nn1 1099247564 FKKIJEPBFZJKDH-HTQZYQBOSA-N 302.260 -0.069 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H]2CC[C@H]1[C@@H]1CN(CC#C)C[C@H]21 1099468643 RKLSGYXACARCQX-FPCVCCKLSA-N 313.401 -0.072 30 20 DBED N#CCN1C[C@H](NC(=O)CNC(N)=O)CC2(CCOCC2)C1 1099562517 ZEBGGVOAHYQERG-LLVKDONJSA-N 309.370 -0.834 30 20 DBED C[C@@H](CCNC(=O)C1(C(N)=O)CC1)Nc1ccc(C#N)nn1 1099658790 YESYDIPWNPZTSF-VIFPVBQESA-N 302.338 -0.080 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)COC(C)C)[C@H](O)C1 1099725771 YWGACIBWRCBTDV-QWHCGFSZSA-N 313.398 -0.735 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)C=C2CCC2)[C@H](O)C1 1099764112 PYBIQVAKWRMAGX-UONOGXRCSA-N 307.394 -0.050 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)Cc2cscn2)[C@@H](O)C1 1100023970 BTAFIYHKDDUFMS-KGLIPLIRSA-N 323.418 -0.113 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)C[C@](C)(O)C=C)C1 1100285717 QZIIONYDSWNLLF-SEEARECTSA-N 307.394 -0.453 30 20 DBED C=CCNC(=O)CNC1CC(CNC(=O)[C@H]2CCN(C)C2=O)C1 1100586036 LJLSLPWALUPAGF-WXRRBKDZSA-N 322.409 -0.749 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CCCN1c1nccn2nnnc12 1100810563 WQKRDMQWKYAVOR-VHSXEESVSA-N 300.326 -0.236 30 20 DBED CC(=O)N[C@@H](C)C(=O)NCCN(c1ccnc(C#N)n1)C1CC1 1101274034 LVEQALQBUKIQJR-JTQLQIEISA-N 316.365 -0.042 30 20 DBED Cc1cc(C#N)nc(NCCN(C)C(=O)Cn2cnnc2O)n1 1101553095 APBNKWQGFZXOCW-UHFFFAOYSA-N 316.325 -0.476 30 20 DBED N#Cc1cncc(N2CC[C@H](CCNC(=O)CNC(N)=O)C2)n1 1102283009 LJHYORDXDFJUQU-JTQLQIEISA-N 317.353 -0.651 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H]2C[C@H]1CN2c1ccncc1C#N 1102547565 FTUXOIDULAADJD-KBPBESRZSA-N 323.356 -0.118 30 20 DBED CC[C@@H](CNC(=O)[C@@H]1CCN(C)C1=O)N=c1cc[nH]c(C#N)n1 1103267241 UUCLMSJAMSSJJL-QWRGUYRKSA-N 316.365 -0.445 30 20 DBED Cc1nc[nH]c1CC(=O)N1CC(n2cc(CNCC#N)nn2)C1 1105366586 YIGZAQMAOQIWDG-UHFFFAOYSA-N 314.353 -0.451 30 20 DBED C=CCNCc1cn(C2CN(C(=O)[C@@H]3CCN(C)C3)C2)nn1 1105372527 LFUYLXULFGVQHG-GFCCVEGCSA-N 304.398 -0.111 30 20 DBED CN(CCN(C)c1ccc(C#N)nn1)C(=O)[C@H]1CCNC1=O 1105534685 CCMSKULFEYQSQP-NSHDSACASA-N 302.338 -0.621 30 20 DBED COc1cc(C(=O)NC[C@H](O)CNc2nccnc2C#N)on1 1105794355 FKOHEYAYIPJEQA-MRVPVSSYSA-N 318.293 -0.452 30 20 DBED COCC1(C(=O)NC[C@@H](O)CNc2ccc(C#N)nn2)CC1 1106023195 OKCZKSXDEMEFAF-NSHDSACASA-N 305.338 -0.336 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@H](O)CNc1ncc(F)cn1 1106154300 HLQYJDHYMXZNRW-OLZOCXBDSA-N 321.356 -0.398 30 20 DBED C[C@@H]1CN(C(=O)[C@@H](C)N2C(=O)CCC2=O)C[C@H]1CNCC#N 1106207311 VZAASFUIXFIUDS-IJLUTSLNSA-N 306.366 -0.268 30 20 DBED C[C@H](CCNc1ccc(C#N)nn1)NC(=O)Cn1cncn1 1106333360 KQXQGKLUVYPEEF-SNVBAGLBSA-N 300.326 -0.053 30 20 DBED C=CCNC(=O)[C@H](C)N1CCO[C@@](C)(CNC(=O)COC)C1 1107658923 CBQIDXNFXNJWHL-WFASDCNBSA-N 313.398 -0.469 30 20 DBED CNC(=O)NC(C)(C)C(=O)N[C@H](C)CNc1cncc(C#N)n1 1107800415 NPIRMWJWNWCGRT-SECBINFHSA-N 319.369 -0.028 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)[C@H]1CCC(=O)N(C)C1 1107803229 QGRJUCGMTLPZLT-MNOVXSKESA-N 316.365 -0.445 30 20 DBED C[C@H](C#N)C(=O)NC[C@]1(C)CN(Cc2nnn(C)n2)CCO1 1107818773 FPHUQNOHWKOLPS-ZWNOBZJWSA-N 307.358 -0.923 30 20 DBED CC#CCN1CCO[C@@](C)(CNC(=O)CCS(C)(=O)=O)C1 1108027230 PKDBHOTXIYWDAG-AWEZNQCLSA-N 316.423 -0.349 30 20 DBED C=CCCN1CC(N2C[C@@H](NC(=O)[C@@H](C)NC(C)=O)CC2=O)C1 1108500659 WTKFZRWVPKKTOQ-YPMHNXCESA-N 322.409 -0.512 30 20 DBED C[C@@H](CN(C)c1nccnc1C#N)NC(=O)c1cc(=O)n(C)o1 1108917489 GGNOMOHQFROJKW-VIFPVBQESA-N 316.321 -0.105 30 20 DBED CN(CCCNc1cnc(C#N)cn1)C(=O)Cc1nc[nH]n1 1109516670 MPDASFYBQZXIRR-UHFFFAOYSA-N 300.326 -0.031 30 20 DBED Cn1[nH]c(CN2[C@H]3CC[C@@H]2C[C@H]3NC(=O)C#CC2CC2)nc1=O 1110531700 KULMGRAPYGWTGD-UPJWGTAASA-N 315.377 -0.257 30 20 DBED CC(=O)NCC(=O)NC[C@H]1COCCN1c1ccc(C#N)nc1 1111649957 YUAUUXQTCFOILD-AWEZNQCLSA-N 317.349 -0.589 30 20 DBED C#CCN[C@@H]1CN(C(=O)CNC(=O)NC)C[C@H]1C(F)(F)F 1112111404 VBEXPCBCLAVQAJ-RKDXNWHRSA-N 306.288 -0.473 30 20 DBED CN(CCCN(C)c1cnc(C#N)cn1)C(=O)Cn1ncnn1 1112131393 FKPDQGCNOXTWKU-UHFFFAOYSA-N 315.341 -0.680 30 20 DBED COCCC(=O)NC[C@@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1112689734 RBLFIIOUDCUGEZ-PWSUYJOCSA-N 305.338 -0.702 30 20 DBED CCC(=O)NCC(=O)N[C@H](C)[C@@H](C)N=c1cc[nH]c(C#N)n1 1112931662 YIDGUTJKKFMQLC-NXEZZACHSA-N 304.354 -0.399 30 20 DBED C[C@H](NC(=O)Cn1ncnn1)[C@H](C)Nc1cncc(C#N)n1 1113194461 RFSYXYQRIYLSAA-IUCAKERBSA-N 301.314 -0.660 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN([C@H](C)C(=O)NC)CC1 1113410225 SFQLSDZTYRMIMD-TZMCWYRMSA-N 324.425 -0.264 30 20 DBED C[C@H](CNC(=O)Cc1nc[nH]n1)N(C)c1cncc(C#N)n1 1113715433 WMZUFURJBMEFOE-SECBINFHSA-N 300.326 -0.350 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)CCSC)[C@H]2C1 1113844669 PQHMWLBNYFROET-SRVKXCTJSA-N 309.435 -0.076 30 20 DBED CCCCOCC(=O)NC1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]12 1114082325 JLYHYQRTIYLIMH-VXGBXAGGSA-N 308.382 -0.511 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3ccc(F)cn3)[C@H]2C1 1114157663 JMNISZHRHUENKH-RYUDHWBXSA-N 316.336 -0.370 30 20 DBED C=C[C@](C)(O)CC(=O)NC1[C@H]2CN(CC(=O)NC(C)C)C[C@H]12 1114195027 ZLZLOQRONPVBCM-MKBNYLNASA-N 309.410 -0.116 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)COC[C@H]3CCOC3)[C@@H]2C1 1114912981 PTOFSBWVWOFVPI-RRFJBIMHSA-N 322.405 -0.264 30 20 DBED C[C@H](C(=O)NCc1ccc(C(=O)NO)cc1)S(C)(=O)=O 1116868833 PGTUVMQDFBXKKS-MRVPVSSYSA-N 300.336 -0.145 30 20 DBED C#CCSCCNC(=O)C(=O)NCc1ccc(C(N)=O)nc1 1117461547 IRSBCMKGMHTPEW-UHFFFAOYSA-N 320.374 -0.721 30 20 DBED C=CCC1(O)CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 1119376558 VLLDYBPBCJTPEX-GFCCVEGCSA-N 316.423 -0.307 30 20 DBED CN(CCS(C)(=O)=O)C(=O)C(=O)N1CCC[C@@H](C#N)C1 1120327400 LPDXPFHXNGTZIJ-JTQLQIEISA-N 301.368 -0.748 30 20 DBED C#Cc1ccc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)OC)cn1 1120716084 HYOBPPXBMQVIAB-LBPRGKRZSA-N 322.342 -0.525 30 20 DBED N#Cc1nc(=N[C@@H](CO)CNC(=O)[C@@H]2CCCOCC2)cc[nH]1 1121498659 XNBHVQICROBAER-VXGBXAGGSA-N 319.365 -0.524 30 20 DBED C=CCCOCC(=O)NC[C@H](CO)Nc1ccc2nnnn2n1 1121749636 RDHHXKXDGLPSMJ-SNVBAGLBSA-N 321.341 -0.999 30 20 DBED COC[C@@H](C)CC(=O)NC[C@@H](CO)Nc1cnc(C#N)cn1 1121985887 VAPAWKULPVFZDO-JQWIXIFHSA-N 307.354 -0.090 30 20 DBED CCn1ccc(C(=O)NC[C@@H](CO)Nc2cnc(C#N)cn2)n1 1122053187 VHHAEYMTLRSDHY-NSHDSACASA-N 315.337 -0.233 30 20 DBED N#Cc1nc(=N[C@@H](CO)CNC(=O)c2cc(F)c[nH]2)cc[nH]1 1122267569 VKRRZTXLYPBJKC-SECBINFHSA-N 304.285 -0.560 30 20 DBED N#Cc1cncc(N[C@@H](CO)CNC(=O)Cc2cnoc2)n1 1122390222 BPFFGKPLDQYNMO-LLVKDONJSA-N 302.294 -0.532 30 20 DBED CNC(=O)CC(=O)N1C[C@@H](Nc2nccnc2C#N)C[C@@H]1C 1123200404 AKVBEDGNMMUZIT-UWVGGRQHSA-N 302.338 -0.114 30 20 DBED C=CCCn1cc(C(=O)N(C)N2CCS(=O)(=O)CC2)nn1 1124002838 DEAMBVJXDJVGII-UHFFFAOYSA-N 313.383 -0.428 30 20 DBED CC(=O)N[C@H](C)C(=O)N(C)C[C@H](O)CN=c1cc[nH]cc1C#N 1124059622 KBGNQKFCJLJIDI-ZWNOBZJWSA-N 319.365 -0.869 30 20 DBED CN(C[C@H](O)CN(C)c1cncc(C#N)n1)C(=O)[C@@H]1CCOC1 1124993662 CVKFUUGKYFVJPJ-DGCLKSJQSA-N 319.365 -0.360 30 20 DBED CCNC(=O)CCC(=O)NCc1cnn2c1CN(CC#N)CC2 1128250961 CGRGXPQNVXTTHW-UHFFFAOYSA-N 318.381 -0.245 30 20 DBED C[C@](O)(CC(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1)C1CC1 1128897792 OJIOVXDASHAZFD-IPYPFGDCSA-N 318.381 -0.306 30 20 DBED C=CCCOCC(=O)N1CCC(=O)NCCN(CCO)CC1 1131398907 GXYYWLDHQCIXRH-UHFFFAOYSA-N 313.398 -0.778 30 20 DBED C#CCNC[C@@H]1CN(C(=O)CN2C(=O)CN(C)C2=O)CC[C@H]1C 1133305815 GGJVKPJTCQIDGQ-CHWSQXEVSA-N 320.393 -0.412 30 20 DBED Cc1c[nH]c(C(=O)N[C@H](C)C[C@H](C)NCC(=O)NCC#N)n1 1135655834 RXKSHLPCIFVTSR-VHSXEESVSA-N 306.370 -0.156 30 20 DBED COCC#CCNCCNC(=O)CNC(=O)c1ccsc1 1151471784 LFALOCUBBRXCAP-UHFFFAOYSA-N 309.391 -0.167 30 20 DBED C=CCO[C@H](C)C(=O)NCCNC[C@@H](O)COCCOC 1153149306 VGPIGUSGEHNELY-CHWSQXEVSA-N 304.387 -0.693 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H](C)N(CC)CCOCCO 1153306277 HAAFRKDJPPERBO-ZIAGYGMSSA-N 300.399 -0.140 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)CCNC(=O)CC(C)C 1153616792 MBVNICOVJHMKMM-ZDUSSCGKSA-N 324.425 -0.618 30 20 DBED CCN(CC#CCOC)[C@H](C)CNC(=O)C[C@@H]1NC(=O)NC1=O 1153864560 XRUOYXXUUXGXFH-NEPJUHHUSA-N 324.381 -0.939 30 20 DBED C#CCN(CC)[C@H](C)CNC(=O)CCCn1c(O)nnc1O 1154083175 KYVGCAOWGLPXHC-LLVKDONJSA-N 309.370 -0.071 30 20 DBED C#CCO[C@@H](C)C(=O)NCCC1=CCN(CC(=O)NC)CC1 1160112669 RRVRACYIMRAYOR-ZDUSSCGKSA-N 307.394 -0.091 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)[C@H]1CCCNC1=O 1160441392 PYEWZVQFSIILLQ-NEPJUHHUSA-N 310.398 -0.701 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(COC)CCN(CCO)CC1 1162270257 APVQMNVKQNMHOI-AWEZNQCLSA-N 312.410 -0.138 30 20 DBED Cn1c(C(=O)NCCCNCC(=O)NCC#N)cnc1Cl 1162539923 HLPBTNMJYPHNTL-UHFFFAOYSA-N 312.761 -0.577 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)[C@H]1CC[C@@H](C(N)=O)C1 1166796041 BIYXNYCSAZNYGZ-XQQFMLRXSA-N 324.425 -0.325 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H]2OCCN(CC3CC3)[C@@H]2C1 1176982517 FFOUPOAGWLRWHD-CABCVRRESA-N 319.405 -0.162 30 20 DBED C#CCNC(=O)CNCCCCCCNC(=O)CN(C)C(C)=O 1177911116 ODRJTYMRBUEKNF-UHFFFAOYSA-N 324.425 -0.520 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2n[nH]c(C)c2C)C1 1181741089 UMBDEKSWIVSFDX-GFCCVEGCSA-N 303.366 -0.420 30 20 DBED C[C@@H]1CN(C(=O)C(F)F)CC[C@H]1CNCC(=O)NCC#N 1183662453 KOJNWPOGCLTSNG-ZJUUUORDSA-N 302.325 -0.035 30 20 DBED C=CCCN[C@@H]1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)C1 1186032171 QMTDQZMJVCCGNS-LLVKDONJSA-N 306.366 -0.536 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](CNCC(N)=O)C2(CCOCC2)C1 1186311463 UCEJFFLZOZPIAK-RYUDHWBXSA-N 308.382 -0.524 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@@H]1CCN(C(=O)CCCN(C)C)C1 1192046282 MGUAHGQPJJWJIG-LSDHHAIUSA-N 322.453 -0.001 30 20 DBED N#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)CCc2ccoc2)C1 1192164604 UCDCUBSZQHPRHS-CHWSQXEVSA-N 320.349 -0.987 30 20 DBED C=CCn1cc(C(=O)N2CC[C@@H](N(C)CC(=O)NCC)C2)nn1 1192724537 UXKLZUHYLSDKHY-GFCCVEGCSA-N 320.397 -0.254 30 20 DBED COCC#CCN(C)[C@H]1CCN(C(=O)C[C@@H]2CCC(=O)N2)C1 1192800119 AZHMFEBETQIMOO-KBPBESRZSA-N 307.394 -0.162 30 20 DBED C=CCCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 1194054387 LAWMUNSLBFNWNT-KBUPBQIOSA-N 311.426 -0.167 30 20 DBED COCC#CCN(C)[C@H]1CCN(C(=O)CCc2cn(C)nn2)C1 1194511260 LBYMRTFRTFPAJT-HNNXBMFYSA-N 319.409 -0.070 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)c2ccc(O)nn2)CC1 1194725329 CSHXRBWYMLKXBV-UHFFFAOYSA-N 317.349 -0.921 30 20 DBED CC#CCCCC(=O)N[C@@H]1CN(CCS(C)(=O)=O)C[C@H]1O 1195467646 RFYBIJUTQIEJEV-CHWSQXEVSA-N 316.423 -0.614 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)C2(C)CC(=C)C2)C1 1196019284 BENSRJCRIFDPMV-MGPQQGTHSA-N 319.405 -0.358 30 20 DBED C=CCCN1CCCN(C(=O)CN(C)S(C)(=O)=O)CC1 1196052378 DEYJEDPKYXXZHO-UHFFFAOYSA-N 303.428 -0.012 30 20 DBED COCC#CCN1CCCN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1 1196269366 VBYPLAMVJADZEV-HZPDHXFCSA-N 323.437 -0.110 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCCN(C(=O)[C@H](C)CC(N)=O)CC1 1196769863 IGNLVKXQNXSVMU-CHWSQXEVSA-N 322.409 -0.830 30 20 DBED C#CCNC[C@@H]1CN(C(=O)c2ccnn2CCOC)CCCO1 1200778584 SKTQZRSMCFJUEM-CQSZACIVSA-N 320.393 -0.017 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)C(=O)NCC(F)F)CCCO1 1200873057 DQRMHCVCKYTXKB-LLVKDONJSA-N 317.336 -0.402 30 20 DBED C#CCNC[C@@H]1CN(C(=O)[C@H]2CCNC(=O)CC2)CCCO1 1201081318 UZXLIRKDXXZSDR-ZIAGYGMSSA-N 307.394 -0.257 30 20 DBED CO[C@@H]1CN(Cc2cn(C)nn2)C[C@H]1NC(=O)CSCC#N 1211886569 PBEDFMNDSOHQIV-VXGBXAGGSA-N 324.410 -0.613 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)CCCF)[C@H](OC)C1 1213288127 YTFARYAKHOKDGH-VXGBXAGGSA-N 301.362 -0.146 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)Cc2cncnc2)C[C@H]1C 1214516276 GYKFKFUQOKQAGF-TZMCWYRMSA-N 317.393 -0.242 30 20 DBED CCC(=O)N[C@H](C)C(=O)N1C[C@@H](NCC#CCOC)[C@H](C)C1 1214692926 OIROMVRVPCKXBW-MGPQQGTHSA-N 309.410 -0.013 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)[C@@H]2CCN(C)C(=O)C2)C[C@H]1C 1214979451 NALOSAPQDPTEBK-RBSFLKMASA-N 321.421 -0.059 30 20 DBED CC(C)C#CC(=O)N1CCO[C@@H]2CN(Cc3cnnn3C)C[C@@H]21 1217843601 CQHQRMDRUZQHKV-LSDHHAIUSA-N 317.393 -0.114 30 20 DBED COc1ccnc(CN2C[C@H](O)[C@H](NC(=O)[C@H](C)C#N)C2)c1 1219378873 HGTAYUNCHYGHMD-HONMWMINSA-N 304.350 -0.089 30 20 DBED N#Cc1ccc(F)cc1CN1C[C@H](O)[C@H](NC(=O)CC(N)=O)C1 1219402798 IXEKXPGODSCKIX-OLZOCXBDSA-N 320.324 -0.766 30 20 DBED CC(C)(C)C#CC(=O)N1C[C@H]2CCN(CC(=O)NC(N)=O)C[C@H]21 1221536457 PICSWAUGKZOULA-VXGBXAGGSA-N 320.393 -0.237 30 20 DBED COCC#CCN1CCC(CNC(=O)[C@H]2COCCN2C)CC1 1222849835 ASMKGCFZTZALLM-MRXNPFEDSA-N 323.437 -0.205 30 20 DBED N#CCNC(=O)CN1CCC(NC(=O)[C@@]23COC[C@@H]2C3)CC1 1227453819 JPDRIXOXTHTUQP-NHYWBVRUSA-N 306.366 -0.757 30 20 DBED CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCC#N 1229231003 LDPCCBHDEOOHBB-ZIAGYGMSSA-N 323.441 -0.015 30 20 DBED CN(C[C@H]1CCN1CC(=O)NCC#N)C(=O)CCn1cccn1 1230806481 NBCSMLMGPCNMRS-CYBMUJFWSA-N 318.381 -0.554 30 20 DBED C=CCOCC(=O)N(C)C[C@@H]1CCN1CCS(C)(=O)=O 1231235108 YSQIDTKIAUPTMG-LBPRGKRZSA-N 304.412 -0.234 30 20 DBED COCC#CCN1CC[C@@H]1CN(C)C(=O)CN1CCOCC1 1233750833 ITLABOVGVCADLR-OAHLLOKOSA-N 309.410 -0.499 30 20 DBED C#CCNC(=O)CC(=O)N(C)C[C@@H]1CCN1Cc1ccn(C)n1 1233809705 NAAKONFZFGYSHS-AWEZNQCLSA-N 317.393 -0.408 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CCN(CC(=O)NC[C@H]2CCOC2)C1 1267741371 VCOLDWAAORERDC-HUUCEWRRSA-N 321.421 -0.011 30 20 DBED C#CCNC(=O)[C@H](C)N(C)CCN(C)C(=O)C[C@H]1CCOC1 1271984565 OOJIVTBLEQMALR-UONOGXRCSA-N 309.410 -0.059 30 20 DBED C#CCC[C@H](O)CNC(=O)C(=O)Nc1cncnc1N(C)C 1322602045 PKLOUKKHZSZYJP-JTQLQIEISA-N 305.338 -0.628 30 20 DBED N#Cc1nc(F)ccc1OCC(=O)N[C@H]1CCS(=O)(=O)C1 1323397092 VLBYKSGXNHGMIQ-QMMMGPOBSA-N 313.310 -0.226 30 20 DBED C#CC1CCN(C(=O)C(=O)N[C@H](C)CS(C)(=O)=O)CC1 1326099147 MPFKVCUFQKYLCC-SNVBAGLBSA-N 300.380 -0.593 30 20 DBED CC#CC[C@@H](CO)NS(=O)(=O)C[C@@H]1CCCS(=O)(=O)C1 1326325751 NJTYONDNXLVBCN-NEPJUHHUSA-N 323.436 -0.495 30 20 DBED Cc1cc(NC(=O)C(=O)N2C[C@@H](O)[C@@H](CO)C2)ncc1C#N 1327085929 YBACPDFOGFLIKD-GHMZBOCLSA-N 304.306 -0.988 30 20 DBED C=C(C)CN(CC)C(=O)C(=O)NCCCN(C)S(C)(=O)=O 1327823233 PAXGKGSRFIOCKZ-UHFFFAOYSA-N 319.427 -0.191 30 20 DBED C#Cc1ccc(NC(=O)C(=O)N[C@@H]2CCC(=O)N(C)C2=O)cc1 1338218991 FXHHCJOHDCHFCU-GFCCVEGCSA-N 313.313 -0.130 30 20 DBED CCC(CC)NC(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1342077405 VEGLKHZRWMEVSN-SEYXRHQNSA-N 322.365 -0.066 30 20 DBED C#CCCCNC(=O)C(=O)Nc1cc(C)n(CC(=O)NC)n1 1343510063 NBWPJFGEKQCMED-UHFFFAOYSA-N 305.338 -0.594 30 20 DBED CN(Cc1ccccn1)C(=O)C(=O)N1CC[C@](O)(CC#N)C1 1345965019 AUHILAMGBMVRMF-OAHLLOKOSA-N 302.334 -0.083 30 20 DBED N#C[C@@H]1COCCN1C(=O)c1nc2ncc(CCO)cn2n1 1361969493 JSQPJRFKFHATIN-SNVBAGLBSA-N 302.294 -0.976 30 20 DBED COC(=O)[C@@H](C)CNC(=O)CCn1cc(C#N)c(O)nc1=O 1361982349 OWNUAJSSJULSGI-QMMMGPOBSA-N 308.294 -0.864 30 20 DBED C[C@H]1CN(C(=O)CCn2cc(C#N)c(O)nc2=O)CC[C@H]1O 1362688603 PNMBEFUBGJCWJL-GXSJLCMTSA-N 306.322 -0.560 30 20 DBED CO[C@@H]1COCC[C@H]1CNC(=O)NCCn1cnc(C#N)n1 1364291577 QRULMZUZSCEJOB-WDEREUQCSA-N 308.342 -0.500 30 20 DBED C=C(Cl)CN1CCN(CCN(C)C(=O)CNC(C)=O)CC1 1366855134 MVYZTONFOPRYNJ-UHFFFAOYSA-N 316.833 -0.049 30 20 DBED CC[C@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)Cn1cncn1 1375040275 SNMTZDIYNIVCRY-LLVKDONJSA-N 315.337 -0.197 30 20 DBED CCn1ccc(CC(=O)NC[C@H](O)CNC(=O)[C@@H](C)C#N)n1 1389094141 JDVPZHUMRDNSSR-JQWIXIFHSA-N 307.354 -0.802 30 20 DBED CNC(=O)NCCC(=O)N1CC[C@](C)(CNC(=O)[C@H](C)C#N)C1 1394405229 WJNASKWMRJRTNL-IAQYHMDHSA-N 323.397 -0.180 30 20 DBED C[C@@H](C#N)C(=O)N1CC([C@@H](C)NC(=O)CNC(=O)C2CC2)C1 1404638829 IVSKQLUKCIPYCB-VHSXEESVSA-N 306.366 -0.365 30 20 DBED CCC(CC)(CO)CNC(=O)Cn1cc(C#N)c(O)nc1=O 1412711699 OWZVVLVNYNFHCQ-UHFFFAOYSA-N 308.338 -0.265 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1cnn(C)c1Cl 1431571397 RYUFBHDECHWDMV-JGVFFNPUSA-N 313.745 -0.560 30 20 DBED CN1CCC(CC(=O)NCCn2cc(C#N)c(O)nc2=O)CC1 1434205413 ASUXJUZPDZXDHV-UHFFFAOYSA-N 319.365 -0.331 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(CC(=O)NC2CCOCC2)CC1 1472943703 NLDHALMMTOJZLQ-LBPRGKRZSA-N 308.382 -0.415 30 20 DBED C[C@@H](CN(C)C(=O)CCNS(C)(=O)=O)NC(=O)[C@@H](C)C#N 1487801169 DHMPVYVKPYEACA-UWVGGRQHSA-N 318.399 -0.952 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1cnn2cccnc12 1501591564 LORXMCHKNSDEAU-NXEZZACHSA-N 316.321 -0.904 30 20 DBED C#CCNCC(=O)Nc1ccc(N2CCOCC2)cc1C(N)=O 1574736632 ZSHYDVWAPFYLMQ-UHFFFAOYSA-N 316.361 -0.217 30 20 DBED N#Cc1cn(CCC(=O)NCCC2CCNCC2)c(=O)nc1O 1580081248 YNEZPGZNWVEATE-UHFFFAOYSA-N 319.365 -0.283 30 20 DBED C#CC1(O)CCN(C(=O)NC2CCN(CC(=O)O)CC2)CC1 1588385945 LQQJUIRMMCHVAS-UHFFFAOYSA-N 309.366 -0.295 30 20 DBED CC#CC[C@@H](CO)NC(=O)C1(C(=O)O)CCS(=O)(=O)CC1 1588478478 BNHZXLMUGVFLDK-JTQLQIEISA-N 317.363 -0.844 30 20 DBED C[C@@H](CNC(=O)[C@H](C)C#N)Nc1ccc(-c2nn[nH]n2)nn1 1589850003 YDTCZVQTEZDQGO-SFYZADRCSA-N 301.314 -0.267 30 20 DBED C[C@H](/C=C\C(=O)O)NC(=O)CCn1cc(C#N)c(O)nc1=O 1592194229 UNVPSHOJVXFGJJ-YAJNLLPGSA-N 306.278 -0.644 30 20 DBED COC(=O)c1cc(C#N)c(=O)n(CC(=O)NCCC(=O)O)c1 1598918422 GOMYHFMQZLUFAW-UHFFFAOYSA-N 307.262 -0.903 30 20 DBED C[C@@](C#N)(CC(=O)O)C(=O)N1CC[C@@H](CS(C)(=O)=O)C1 1602778811 NPLLZUZJUZNMLG-SKDRFNHKSA-N 302.352 -0.116 30 20 DBED N#Cc1nc(N)n(C[C@@H]2C[C@H]3COC[C@H]3O2)c1-c1nn[nH]n1 1606390160 ZPJUBTMZNIRPSA-ACLDMZEESA-N 302.298 -0.679 30 20 DBED N#Cc1nccc(N2CCN(C(=O)[C@H]3C[C@H]3C(=O)O)CC2)n1 1608225373 MZGOHUNQDNKRAG-VHSXEESVSA-N 301.306 -0.282 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1C[C@H](NC(=O)c2[nH]cnc2C)C1 1752692719 XQFFIUGIWBFGEK-IJLUTSLNSA-N 303.366 -0.294 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H](C)CNC(=O)c1conc1COC 1752913641 LBAXHAURRNQZFT-WDEREUQCSA-N 322.365 -0.333 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H]1CCCN1CC(=O)NC1CC1 1753103976 WMZYSNCZBGDWNU-JSGCOSHPSA-N 307.394 -0.116 30 20 DBED COC[C@@H](C)CC(=O)NC[C@H]1CCCN1CC(=O)NCC#N 1753115523 XVPKHVUDLLIXMM-QWHCGFSZSA-N 310.398 -0.121 30 20 DBED C=C(C)[C@H](CC(=O)NC1CN([C@H]2CCC(=O)NC2=O)C1)OCC 1753379331 PJDCPEDGWOYXJJ-STQMWFEESA-N 323.393 -0.037 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H](CCNCc2nc(=O)n(C)[nH]2)C1 1753544001 ZRIWADQFKRBNNW-VXGBXAGGSA-N 320.397 -0.014 30 20 DBED CC#CCCCC(=O)NC[C@H](C)CNCC(=O)NC(=O)NC 1753639928 OLWIVIZYXLPJJL-GFCCVEGCSA-N 310.398 -0.023 30 20 DBED C#CCNC(=O)CN[C@H](CNC(=O)Cc1cncn1C)C(C)C 1753842544 NANSGRXQMWKBFH-CQSZACIVSA-N 319.409 -0.558 30 20 DBED C#CCNC(=O)CN(C)CCN(C)C(=O)C(C)(C)CNC(C)=O 1753865404 UBRVJBQARWMSRV-UHFFFAOYSA-N 324.425 -0.712 30 20 DBED C#CCNC(=O)CN(C)CCN(C)C(=O)CCN1CCCC1=O 1753869021 DZLVKGPORFNASU-UHFFFAOYSA-N 322.409 -0.862 30 20 DBED O=C(CC#Cc1ccccc1)NC[C@H](O)CN[C@@H]1CCNC1=O 1753937537 PEGMTQFUUJQUHA-HUUCEWRRSA-N 315.373 -0.617 30 20 DBED C=CCCn1cc(C(=O)N[C@@H](C)CNCc2cnnn2C)nn1 1754287253 UFXDBBIPGJBDLC-NSHDSACASA-N 318.385 -0.109 30 20 DBED CCn1nncc1C(=O)N1CCO[C@@H](CNCC#CCOC)C1 1754999163 CSWBUUDRWFWCDC-ZDUSSCGKSA-N 321.381 -0.622 30 20 DBED C=CCN1CC2(CC[C@@H](CNC(=O)C(=O)NCC(F)F)O2)C1 1755053793 AXRYUEVTDYJCMP-JTQLQIEISA-N 317.336 -0.097 30 20 DBED CC/C=C(/C)C(=O)N[C@@H]1COC2(C1)CN(CC(=O)NCC#N)C2 1755059028 NFYLFZKKXREPDM-VEIWZVCTSA-N 320.393 -0.058 30 20 DBED C=CCCCN1CC2(C[C@@H](NC(=O)CCn3cnnn3)CO2)C1 1755065190 GFHKDAMKLQYQSP-CYBMUJFWSA-N 320.397 -0.011 30 20 DBED CC#CCNCC1(O)CCN(C(=O)c2nnn(C)c2C)CC1 1755149656 PBYAPBVDMACSJO-UHFFFAOYSA-N 305.382 -0.296 30 20 DBED N#CCNCCCOC1CCN(C(=O)C2(C(N)=O)CC2)CC1 1755346258 WDSMUHGYTVTINF-UHFFFAOYSA-N 308.382 -0.237 30 20 DBED C=C(C)CN(C)C[C@@H](O)CN(C)C(=O)CN1CCOCC1=O 1755801603 FRNFWUDYWDEIIW-CYBMUJFWSA-N 313.398 -0.828 30 20 DBED C=CCn1cc(C(=O)NC[C@@H](C)N(C)C(=O)c2cnon2)nn1 1756031238 WMNNPOLQSRREHP-SECBINFHSA-N 319.325 -0.262 30 20 DBED C#CCOCCC(=O)N1C[C@H]2C(CNC(=O)CCN(C)C)[C@@H]2C1 1756210318 TZMDBOPGXQBVQQ-GJZGRUSLSA-N 321.421 -0.201 30 20 DBED C#CCOc1ccc(C(=O)N(C)C[C@@H](C)NC(=O)C(N)=O)cc1 1756455967 XIMBTJBVJZPTDK-LLVKDONJSA-N 317.345 -0.239 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H](CO)NC(=O)CCOCC)cn1 1756538528 PTBVHGWFUSHQHM-AWEZNQCLSA-N 319.361 -0.304 30 20 DBED C#CCOCCC(=O)N1C[C@H](NC(=O)c2nc[nH]n2)C[C@@H]1C 1756590644 UIGUZRRKGUDLHG-WDEREUQCSA-N 305.338 -0.436 30 20 DBED Cn1nnc(C(=O)NC[C@H](NC(=O)C#CC2CC2)C(C)(C)C)n1 1756711035 QCKHRLKNRLPWBX-NSHDSACASA-N 318.381 -0.116 30 20 DBED C=CCOCC(=O)N1CC[C@H]2CN(C(=O)Cn3cncn3)C[C@H]21 1756952480 PRPGPUIMZFXSPW-QWHCGFSZSA-N 319.365 -0.460 30 20 DBED CCO[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1CNC(=O)C#CC(C)C 1757386139 QWVKHOHTXKXLHV-CHWSQXEVSA-N 323.393 -0.499 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)/C=C/C(=O)OCC)CCO2 1783049652 KEILFLZQGIQLHO-JFDDCEBESA-N 320.345 -0.431 30 20 DBED C=CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(=O)N(C)C)C[C@@H]21 1791274177 BQGJFRQOKAYWLJ-AVGNSLFASA-N 323.393 -0.370 30 20 DBED CC[C@@H](C)[C@H](N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC#N 1795083496 NJWONKNEVWNFRL-RKEKIRQTSA-N 322.409 -0.137 30 20 DBED C[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CC1)C2 1800748041 VHNKPRZXWSQTJZ-YFKTTZPYSA-N 307.350 -0.739 30 20 DBED C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCC(C#N)CC1 57907600 TWQIJZRFAHZFEU-SECBINFHSA-N 319.365 -0.527 30 20 DBED Cn1cc(S(=O)(=O)NCCCCC#N)c(=O)n(C)c1=O 70940726 YPMSDQSDICTBPF-UHFFFAOYSA-N 300.340 -0.944 30 20 DBED C#CCN1CCC(C(=O)N[C@H]2CC(=O)N(C(C)C)C2=O)CC1 177578483 JRQXDIMTGZNALG-ZDUSSCGKSA-N 305.378 -0.016 30 20 DBED C/N=C(/NCc1cccn1C)N1CCN(C(C)(C)C(N)=O)CC1 261638164 DCHBNFCHKVBRSN-UHFFFAOYSA-N 320.441 -0.018 30 20 DBED N#Cc1cccc(S(=O)(=O)NCCN2C(=O)CCC2=O)c1 265101473 XUZYTDTYJMGFEU-UHFFFAOYSA-N 307.331 -0.014 30 20 DBED C[C@H](C(=O)NC(N)=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 292047682 AYNYAQWWFBTSNK-KOLCDFICSA-N 303.322 -0.010 30 20 DBED CN1CCOC[C@@H]1/C(O)=N/[C@@H]1CCN(c2cnn(C)c2)C1=O 329032351 QBBANAQYVRWRFO-VXGBXAGGSA-N 307.354 -0.188 30 20 DBED C[C@@H]1OCC[C@@H]1/N=C(/O)CN1CCN(S(C)(=O)=O)CC1 329056265 XVXMFZSUNPDMLV-QWRGUYRKSA-N 305.400 -0.303 30 20 DBED CN1CN(/C(O)=N/C[C@H](N2CCOCC2)C(F)(F)F)CC1=O 329442935 KMNUSMIYUAXWKN-VIFPVBQESA-N 324.303 -0.105 30 20 DBED CC/N=C(/O)NC(=O)[C@H](C)N1CCN(Cc2nc(C)no2)CC1 330408262 PHRRGUSVIMWBAQ-JTQLQIEISA-N 324.385 -0.066 30 20 DBED COC(=O)CN1CCN(S(=O)(=O)N(C)[C@H](C)CC#N)CC1 330434102 XUQDZUZKRSNBCR-LLVKDONJSA-N 318.399 -0.744 30 20 DBED Cn1cc(C#N)cc1C(=O)N1CCN(CCn2cncn2)CC1 331847167 NMSHITVJRYRVLV-UHFFFAOYSA-N 313.365 -0.054 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@H]1CN2CCN1CC2 336898892 PHGUGBRKDSWEMF-STQMWFEESA-N 315.443 -0.698 30 20 DBED C=CCN1CCC(NC(=O)C(=O)NCCOCCOC)CC1 340718757 ZADIFOIIVMUTBX-UHFFFAOYSA-N 313.398 -0.468 30 20 DBED CC(C)(C)C(=O)Nc1nccnc1C(=O)NCC(=O)NCC#N 344160941 OXHAUAZAAKVMQF-UHFFFAOYSA-N 318.337 -0.169 30 20 DBED CC[C@@](C)(C#N)C(=O)N[C@H](C)C(=O)N1CCS(=O)(=O)CC1 352429605 ZJMYPCJFYSLLGW-MFKMUULPSA-N 315.395 -0.312 30 20 DBED Cc1nc([C@@H](C)NS(=O)(=O)N2CCO[C@@H](C#N)C2)n[nH]1 352538568 MAHVULBPLNUEFH-APPZFPTMSA-N 300.344 -0.767 30 20 DBED C=CCOC[C@@H](NC(=O)[C@H]1CCc2nncn2C1)C(=O)OC 352598766 YYVFDQAZJMHVHB-WDEREUQCSA-N 308.338 -0.299 30 20 DBED CN1CC[C@@](O)(CNC(=O)C(=O)Nc2ccc(C#N)c(F)c2)C1 354184273 CUJODMOMHWYEMD-OAHLLOKOSA-N 320.324 -0.181 30 20 DBED N#Cc1ccnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)c1[N+](=O)[O-] 354379663 GYPKGYWCXLAIBO-SECBINFHSA-N 316.277 -0.992 30 20 DBED C=C[C@@H](CO)NC(=O)C(=O)Nc1cc(C(=O)NC)ccc1OC 354653405 AUXXGEWDEQQTLR-JTQLQIEISA-N 321.333 -0.344 30 20 DBED COc1ccc2c(c1)OC[C@H](NC(=O)NCC(=O)NCC#N)C2 377100477 AYDUPKFFLLRILI-LLVKDONJSA-N 318.333 -0.062 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N[C@@H]2CCC[C@@H]2CN)nn1 424541118 HEERQUFCKWSHDE-ZYHUDNBSSA-N 306.370 -0.676 30 20 DBED C=CCCn1cc(C(=O)NCCNS(=O)(=O)CC)nn1 424578196 AXOWQHOYCBXUKL-UHFFFAOYSA-N 301.372 -0.477 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)Nc2n[nH]c(CC)n2)C1=O 479158915 FTUSTQARPYHGEE-UHFFFAOYSA-N 306.282 -0.718 30 20 DBED C#CCNC(=O)C1CCN(C(=O)NCC(=O)NC(C)C)CC1 491067742 JXAIMWLGJYLONT-UHFFFAOYSA-N 308.382 -0.318 30 20 DBED CCN1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)[C@@H](C)C1=O 547965359 NHWYKGFHRQPBLM-VIFPVBQESA-N 305.338 -0.987 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N[C@@H]2CCO[C@H]2C2CC2)CCO1 554519277 CEALKYHVCSXSQT-UTUOFQBUSA-N 301.368 -0.387 30 20 DBED C=CCNc1nnc(S(=O)(=O)Cc2cn(C)nn2)s1 565750497 ONNCGVASTQCBPX-UHFFFAOYSA-N 300.369 0.238 30 20 DBED N#Cc1ccc(F)c(CS(=O)(=O)N2C[C@@H](CO)[C@@H](O)C2)c1 581558793 AMBWUICQBQEEHU-AAEUAGOBSA-N 314.338 -0.188 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N(C)[C@@H](COC)C(=O)O 582364109 VIKDLIIGOHPMGI-UWVGGRQHSA-N 307.372 -0.256 30 20 DBED N#Cc1cccc(S(=O)(=O)NCC(=O)NCc2cnc[nH]2)c1 589427889 GANLSNVTASEVKF-UHFFFAOYSA-N 319.346 -0.124 30 20 DBED N#Cc1c(N)n[nH]c1CCCNC1=C2OCCN=C2NC=N1 590568979 FMHOGXABTUOPPH-UHFFFAOYSA-N 300.326 -0.385 30 20 DBED C=C[C@H](CO)NS(=O)(=O)N1CCC[C@H](C(=O)OCC)C1 595382079 CUUKPFDMPYJTFA-WDEREUQCSA-N 306.384 -0.357 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)NCCOCC(=O)OC 599445641 FSSNUSUWZSXNBG-JTQLQIEISA-N 307.372 -0.508 30 20 DBED N#CCNC(=O)CNC[C@@]1(O)CCN(Cc2ccccc2)C1 601964221 IGWZENAZQKVANX-INIZCTEOSA-N 302.378 -0.147 30 20 DBED CS(=O)(=O)N1CCN(CCNc2nccnc2C#N)CC1 608830776 CIZLAWBYXGWCRB-UHFFFAOYSA-N 310.383 -0.663 30 20 DBED N#CCN1CCC(NC(=O)Cn2nc3ccccn3c2=O)CC1 609328849 VLEGEUXMOLGECQ-UHFFFAOYSA-N 314.349 -0.400 30 20 DBED C=CCC1(O)CN(C(=O)[C@@H]2CCCCN2S(C)(=O)=O)C1 720881815 UUGCVMRQAXMJIQ-NSHDSACASA-N 302.396 -0.050 30 20 DBED Cc1nn(C)c(Cl)c1S(=O)(=O)N(CC#N)CC(=O)O 738916194 ZIGUVOVTFYJFCN-UHFFFAOYSA-N 306.731 -0.019 30 20 DBED C=CCS(=O)(=O)CCNC(=O)[C@H]1CCCCS1(=O)=O 753744467 ORRQXYAKGMMMDW-SNVBAGLBSA-N 309.409 -0.329 30 20 DBED C#CCNC(=O)C1CCN(Cn2nc3n(c2=O)CCCC3)CC1 758306109 JDNLKLYVPNXPQV-UHFFFAOYSA-N 317.393 -0.200 30 20 DBED C#C[C@H](C)NC(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 773596651 FMUVLLQIOSRCOL-RYUDHWBXSA-N 317.411 -0.204 30 20 DBED C#CCOCCNC(=O)C(=O)Nc1ccc(-n2ccnn2)cc1 785152953 OVYWZRLGSFJYGN-UHFFFAOYSA-N 313.317 -0.028 30 20 DBED C#C[C@H](NC(=O)C1(S(C)(=O)=O)CCOCC1)[C@@H]1CCCO1 816177209 UVLPNGUUYUIKPO-RYUDHWBXSA-N 315.391 -0.123 30 20 DBED CCn1nc(C)c(CNc2c(C#N)c(=O)n(C)c(=O)n2C)n1 819935729 UELLMMSGJBQXLQ-UHFFFAOYSA-N 303.326 -0.512 30 20 DBED CC(C)C[C@H](NC(=O)CNS(=O)(=O)CCCC#N)C(=O)O 833492018 BLIRAGUCPMGTKV-JTQLQIEISA-N 319.383 -0.175 30 20 DBED C#CC[C@@H](NC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)C(=O)OC 837949036 AHXSEOIAERNHOO-ZJUUUORDSA-N 318.395 -0.369 30 20 DBED C[C@H]1CC(=NC(=O)[C@H](CO)NC(=O)c2cccc(F)n2)NO1 845899745 JXUVMHCKEANNMH-CBAPKCEASA-N 310.285 -0.450 30 20 DBED CC(C)(C#N)CNC(=O)[C@H](CO)NC(=O)c1cccc(F)n1 845932695 WWOCOIDALUTCSO-JTQLQIEISA-N 308.313 -0.023 30 20 DBED C#CC1CCN(C(=O)NCCNS(=O)(=O)N(C)C)CC1 854106311 GMOVKFWBQAFABR-UHFFFAOYSA-N 302.400 -0.563 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H](CC(C)=O)C(=O)O 863407096 DYGFAMADGFKOAE-PSASIEDQSA-N 305.356 -0.265 30 20 DBED CNS(=O)(=O)CCCNC(=O)COc1cccc(C#N)c1 863433853 KWQWEVMYCNJMNV-UHFFFAOYSA-N 311.363 -0.007 30 20 DBED C=CCN(CC(=O)N=S(C)(C)=O)[C@@H]1CCS(=O)(=O)C1 878241739 JIGMDTWHBMYELY-SNVBAGLBSA-N 308.425 -0.084 30 20 DBED C#CCNC(=O)[C@@H](C)OC(=O)CN1CCCCS1(=O)=O 884689591 PWPCYWNIQTWIIF-SNVBAGLBSA-N 302.352 -0.907 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N1C[C@H]2CC[C@H]1[C@H](O)C2 898141374 ZYXZGQAOCGLIFG-RFQIPJPRSA-N 308.378 -0.097 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@@]23CCCN(CC2)C3)CC1 900039045 XBSLPHOJMGINGC-KRWDZBQOSA-N 320.437 -0.081 30 20 DBED COC(=O)[C@@](C)(CO)NC(=O)C#Cc1ccc2c(c1)OCO2 909593080 HMMSAQHQBAAPBP-OAHLLOKOSA-N 305.286 -0.193 30 20 DBED COC(=O)c1c[nH]nc1S(=O)(=O)N1CCSC[C@H]1C#N 912547684 NJCBVXYILUAXBZ-SSDOTTSWSA-N 316.364 -0.174 30 20 DBED O=C1CC(C(=O)N[C@@H]2CCN(C(=O)C#CC3CC3)C2)CC(=O)N1 941552203 OVOUDTDWRFNYBJ-GFCCVEGCSA-N 317.345 -0.830 30 20 DBED C[C@@H](C#N)C(=O)N1CCCN(C(=O)C2CC(=O)NC(=O)C2)CC1 941612713 KBBGCWPJUFYVGC-JTQLQIEISA-N 320.349 -0.740 30 20 DBED Cc1c(C(=O)NC[C@H]2CN(C(=O)[C@@H](C)C#N)CCO2)cnn1C 944483325 VIIRKZRHTRDLQH-JQWIXIFHSA-N 319.365 -0.155 30 20 DBED CCN1CC[C@@H](NCC2(O)CCN(C(=O)[C@@H](C)C#N)CC2)C1=O 946918738 QFJBLLGCUYIESG-QWHCGFSZSA-N 322.409 -0.290 30 20 DBED C#CCCN1CC[C@H](NC(=O)Cn2c(O)nnc2O)C[C@H]1C 947979079 AFDZHUSYDADFPW-MNOVXSKESA-N 307.354 -0.318 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(NC(=O)c2nnc(O)nc2O)CC1 948099138 PZEFRULNSDPWHZ-ZETCQYMHSA-N 320.309 -0.837 30 20 DBED O=C1C[C@@H](C(=O)NC[C@H]2CCN2C(=O)C#CC2CC2)CCN1 949351986 HBQAHQHRXDHMMG-QWHCGFSZSA-N 303.362 -0.357 30 20 DBED CC#CCN1CCOC2(CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)C1 949511972 ASJNJXUULGHCEB-AWEZNQCLSA-N 319.405 -0.018 30 20 DBED CCN(C(=O)[C@]12C[C@H]3C[C@H](C(=O)N1)[C@H]2C3)C1CN(CC#N)C1 950675943 AFWYTWWNDKOWAR-CNXAATOLSA-N 302.378 -0.043 30 20 DBED C#CCN1CCC(C(=O)N2CCN([C@H](C)C(N)=O)CC2)CC1 957768076 RNBNKUGTPACVMP-CYBMUJFWSA-N 306.410 -0.650 30 20 DBED C=CCN1C[C@H](O)[C@H](CNC(=O)c2nnn(C(C)(C)C)n2)C1 958076570 HWZXWKROIFWEKZ-MNOVXSKESA-N 308.386 -0.363 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](NC(=O)Cn2ccccc2=O)[C@H](C)C1 958376244 HDOXHLDWEJBWLD-YNEHKIRRSA-N 316.361 -0.029 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2[C@@H]3CN([C@@H]4CCCNC4=O)C[C@@H]32)[nH]1 958589823 GVTGWUIWHYZUAX-WVWOOGAGSA-N 313.361 -0.175 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2csc(COC)n2)C1 958744618 RFPWNHAEIGKIDJ-ZYHUDNBSSA-N 309.391 -0.055 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cc2ccon2)C1 958761227 JZZCZLDNUBKEII-DLOVCJGASA-N 306.322 -0.593 30 20 DBED COc1cc(OC)nc(C(=O)N[C@H]2[C@@H]3CN(CC#N)C[C@@H]32)n1 960567674 MLOBHODMSKORBX-GDGBQDQQSA-N 303.322 -0.323 30 20 DBED CC(F)(F)C(=O)N1C[C@H](O)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 962387822 MSDUQFKVLFXART-ZJUUUORDSA-N 312.276 -0.157 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CC[C@@H](CNC(=O)c3cnn[nH]3)O2)C1 965560667 IHZPKUMOLHNWNL-UWVGGRQHSA-N 318.337 -0.546 30 20 DBED C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2cn(CC(N)=O)nn2)C1 968682906 VOQDZWMAVNEIRY-VXGBXAGGSA-N 318.381 -0.773 30 20 DBED COCCN1C[C@H](C(=O)N2C[C@H]3CC[C@H]2CN3CC#N)CC1=O 971445825 NIWLGVUDLPLAJR-MCIONIFRSA-N 320.393 -0.320 30 20 DBED CN(C)[C@@H](Cn1cccn1)C(=O)N1CC[C@H](N(C)CC#N)C1 971679440 UCUSUKYDTLSVEI-KBPBESRZSA-N 304.398 -0.130 30 20 DBED CCn1cc(CC(=O)N2CC[C@@]3(CN(CC#N)CCO3)C2)nn1 972479614 XDNFAICHFXSSHN-OAHLLOKOSA-N 318.381 -0.333 30 20 DBED C=CCN1C[C@@H]2C(CNC(=O)[C@@H]3CCN(C)S3(=O)=O)[C@H]2C1 978852502 GYCHIZPOZHGDMA-UPJWGTAASA-N 313.423 -0.500 30 20 DBED N#Cc1c[nH]c(C(=O)NC2CN(C(=O)CCc3nc[nH]n3)C2)c1 990697085 ZTMSREDAFFZVGK-UHFFFAOYSA-N 313.321 -0.422 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCN(C(=O)C3CC3)C[C@H]2O)nn1 991481323 BEOBTHKSWFGROM-DGCLKSJQSA-N 319.365 -0.434 30 20 DBED C=CCCn1cc(C(=O)N[C@H]2CCN(C(C)=O)C[C@H]2O)nn1 991496531 DOGZXVIJUSXOPO-WCQYABFASA-N 307.354 -0.434 30 20 DBED C#CCN1CC[C@]2(NC(=O)CN3CCC(=O)NC3=O)CCC[C@H]12 992429495 OEQMJSVGIWMDEQ-BLLLJJGKSA-N 318.377 -0.325 30 20 DBED C#Cc1ccccc1CC(=O)NC1CN(C(=O)c2ncn(C)n2)C1 997235987 OBHIUIVXJTUDAW-UHFFFAOYSA-N 323.356 -0.020 30 20 DBED CC(=O)N1CCOC[C@H]1C(=O)N[C@H](C)C1CCN(CC#N)CC1 997436101 PHNHXPODXWTPNS-DOMZBBRYSA-N 322.409 -0.026 30 20 DBED C#CCN[C@@H]1CCCN(C(=O)[C@@H]2CCc3nnc(O)n3C2)C1 999552037 BULABIHWTPSFPN-VXGBXAGGSA-N 303.366 -0.240 30 20 DBED C=C(C)CN[C@H]1CCCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 1000961656 VHDYNVGSQSRKJQ-RYUDHWBXSA-N 301.412 -0.165 30 20 DBED CCN1C[C@@H](C(=O)NCC2CN(C(=O)[C@H](C)C#N)C2)CC1=O 1002453326 VGCOMLMSEDUWBH-PWSUYJOCSA-N 306.366 -0.411 30 20 DBED COc1nccc(C(=O)NCC2CN(C(=O)[C@H](C)C#N)C2)n1 1003422925 FWGWHHOTQKRKRP-SECBINFHSA-N 303.322 -0.167 30 20 DBED N#CCN1CCC[C@@H](NC(=O)[C@@H]2CN3CC4CC3(CO2)C4)C1 1007992489 XNHNZUYNHIMBTO-IQXANGCESA-N 304.394 -0.046 30 20 DBED N#Cc1c[nH]c(C(=O)N2C[C@@H]3C(NC(=O)c4cnn[nH]4)[C@H]3C2)c1 1013388153 YHMVVMFERPFXJQ-IUCAKERBSA-N 311.305 -0.495 30 20 DBED C#Cc1ccc(C(=O)N2CCC[C@H](NC(=O)C(N)=O)[C@@H]2C)cn1 1015184629 OYRJQXFYYDIRAJ-GWCFXTLKSA-N 314.345 -0.343 30 20 DBED N#CCN1CCC2(CC1)C[C@@H]2NC(=O)CC1CS(=O)(=O)C1 1016699969 LYDQEOPYIQUHHQ-LBPRGKRZSA-N 311.407 -0.085 30 20 DBED C#CCCN1CCC2(CC1)C[C@@H]2NC(=O)CN1C(=O)CNC1=O 1016965409 PVZWCCXTKPCXCS-LBPRGKRZSA-N 318.377 -0.468 30 20 DBED C#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)c1cn(CCOC)nn1 1017539176 UNEVJBSVCPJFGH-BETUJISGSA-N 303.366 -0.154 30 20 DBED C[C@H](C#N)C(=O)N1CCC2(CN(C(=O)[C@H]3CCNC(=O)C3)C2)C1 1018936686 VCRUDUUAXUKYBD-NEPJUHHUSA-N 318.377 -0.267 30 20 DBED COc1ccc(C#N)cc1CN[C@H]1C[C@@H](NC(=O)C(N)=O)C1 1022633557 LFOLZVUSIYDXDK-TXEJJXNPSA-N 302.334 -0.211 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)COC)C[C@H]1O 1023958983 UPJKPNDJGOFGCS-LPWJVIDDSA-N 312.366 -0.698 30 20 DBED Cn1nc(C(=O)N2C[C@H]3[C@@H](NCC#N)CC[C@H]3C2)ccc1=O 1026413880 JHUDNUBOEOKQJQ-TUAOUCFPSA-N 301.350 -0.256 30 20 DBED C#CCN[C@@H]1CC[C@H]2CN(C(=O)CN3C(=O)CCC3=O)C[C@H]21 1026416709 XZIHEKGEZJFMAT-YNEHKIRRSA-N 303.362 -0.405 30 20 DBED CN(CC#N)[C@H]1CCCN(C(=O)c2cnc(O)n(C)c2=O)C1 1027518680 YFIOOCAHWJAHQR-JTQLQIEISA-N 305.338 -0.454 30 20 DBED C=CCN(C)[C@H]1CCCN(C(=O)CN2CC(=O)N(C)C2=O)C1 1027648465 SFWLCTDNPWEGIR-LBPRGKRZSA-N 308.382 -0.011 30 20 DBED N#Cc1ccc(C(=O)NC[C@@H]2CCN([C@H]3CCNC3=O)C2)[nH]1 1028491158 STVANWJHWJPUQG-GWCFXTLKSA-N 301.350 -0.173 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[C@H](N[C@@H](C)C(N)=O)CC1 1034663987 PWLFOYCBJDCJCN-AJNGGQMLSA-N 320.437 -0.025 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2CN(CC(=O)NC)CCO2)nc1 1035582326 GSVAFPJKRHAPSR-CYBMUJFWSA-N 316.361 -0.761 30 20 DBED C=C(C)CN1CCO[C@H](CNC(=O)[C@@H]2CCS(=O)(=O)N2)C1 1035614161 NSOYTCZVHXTRPA-NEPJUHHUSA-N 317.411 -0.929 30 20 DBED C=CCN1CC[C@H]2CN(C(=O)Cn3c(O)nnc3O)CC[C@H]21 1036879398 MUKYJYLRQVPCEH-WDEREUQCSA-N 307.354 -0.202 30 20 DBED NC(=O)C(=O)N[C@@H]1[C@H]2C[C@H]1N(CC#Cc1ccc(F)cc1)C2 1037564512 OMTKECDLQZQQBJ-IACUBPJLSA-N 301.321 -0.149 30 20 DBED C#CCN[C@@H]1CCN(C(=O)CN2C(=O)CN(C)C2=O)C[C@H]1CC 1037982715 BVCUTTNXTDRUOG-CHWSQXEVSA-N 320.393 -0.270 30 20 DBED C=CCN1CC[C@@H](N2CC[C@H]2CNC(=O)c2nonc2C)C1=O 1039083474 XWESMYMAMLIGIF-NWDGAFQWSA-N 319.365 -0.031 30 20 DBED O=C(C[C@H]1CCOC1)NC[C@@]1(O)CCN(C(=O)C#CC2CC2)C1 1040813709 BGHMGXPLSXRGCY-PBHICJAKSA-N 320.389 -0.094 30 20 DBED N#Cc1cnc(N2C[C@@H](O)[C@H](NC(=O)C3=COCCC3)C2)cn1 1040944797 JEEPNRLUUISTQP-CHWSQXEVSA-N 315.333 -0.292 30 20 DBED C=CCCN1CC[C@]2(CCN(C(=O)CN3CCNC(=O)C3)C2)C1 1041540239 LTQRAIDAKYENLH-KRWDZBQOSA-N 320.437 -0.081 30 20 DBED C#CCN1CC[C@@]2(CCN(C(=O)[C@H]3CN(C(C)=O)CCO3)C2)C1 1041810449 FEPVNOMLAWXRSX-NVXWUHKLSA-N 319.405 -0.209 30 20 DBED C=C(C)CCC(=O)N1CC(O)(CNC(=O)c2nnn(C)c2C)C1 1042280852 VIIKDDBCLWYPGJ-UHFFFAOYSA-N 321.381 -0.217 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)CC[C@@H]2CCOC2)C1 1042454181 IXBHEOCVFNBUJR-VXGBXAGGSA-N 309.366 -0.348 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)[C@H]2C[C@H]3C=C[C@H]2O3)C1 1042940959 HOGISNQFMOFRGC-HZSPNIEDSA-N 318.373 -0.321 30 20 DBED C=CCn1cc(C(=O)NCC2(O)CN(C(=O)[C@H](C)CC)C2)nn1 1043104960 DRCFMJPZSDMVSG-LLVKDONJSA-N 321.381 -0.187 30 20 DBED C=C[C@@H](C)[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2cn(C)nn2)C1 1044980271 LKRDBONWGGGASR-GHMZBOCLSA-N 321.381 -0.424 30 20 DBED COCc1cc(C(=O)N2CC(O)(CNC(=O)[C@@H](C)C#N)C2)no1 1045554495 FHTRZKXTJYGNOA-VIFPVBQESA-N 322.321 -0.716 30 20 DBED Cc1n[nH]c(C)c1CC(=O)N1CC(O)(CNC(=O)[C@@H](C)C#N)C1 1045554807 JYADZUFGCJFXMV-VIFPVBQESA-N 319.365 -0.582 30 20 DBED C#CCN1CC[C@H](N2CCN(C(=O)c3cc(=O)n(C)o3)CC2)C1 1046024335 KFUKSUSPVVEASB-ZDUSSCGKSA-N 318.377 -0.556 30 20 DBED C#CCCN1CC[C@@H](N2CCN(C(=O)c3cnnn3C)CC2)C1 1046028535 TXQQAMVKRKJFPD-CQSZACIVSA-N 316.409 -0.330 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCN(C)C2)C1 1048874244 ULBLJQPNWRBHOC-KKUMJFAQSA-N 321.421 -0.372 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C2(C(=O)NC)CC2)C1 1049070375 DYCYIWIHTZQNJQ-RYUDHWBXSA-N 323.393 -0.491 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)[C@@H]1CCN(C(=O)CCOC)C1 1049683708 AFUDDHYKISBHOE-QWHCGFSZSA-N 323.393 -0.484 30 20 DBED C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC(=O)NC(=O)N1 1049752956 IGXMQZFQQBCXTA-QJPTWQEYSA-N 304.350 -0.717 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)[C@H]1CCN(C(=O)COCC)C1 1049927659 APYPUOUXHXHWGS-STQMWFEESA-N 323.393 -0.484 30 20 DBED N#CCN1CCOC[C@H]1CNC(=O)c1ccnc2ccnn12 1050954709 YIHQLUMHWBNCGN-LLVKDONJSA-N 300.322 -0.317 30 20 DBED C=CCOCCCC(=O)N[C@@H](C)[C@@H]1CCN(C(=O)C(N)=O)C1 1051468848 ISXXVTUFVLKIAE-NWDGAFQWSA-N 311.382 -0.192 30 20 DBED N#Cc1cc(C(=O)N2CCO[C@H](CNCc3cnon3)C2)c[nH]1 1051564132 XXEAPELIHHZVQC-CYBMUJFWSA-N 316.321 -0.100 30 20 DBED N#Cc1nccnc1N1CC[C@H](NC(=O)c2cc[nH]n2)[C@H](O)C1 1051612451 LMBRUBOMFBEEPA-JOYOIKCWSA-N 313.321 -0.559 30 20 DBED N#Cc1ccccc1CNC[C@H]1CN(C(=O)C(N)=O)CCO1 1051794054 GJLLXFCRTRPFMC-ZDUSSCGKSA-N 302.334 -0.639 30 20 DBED C=C(Cl)CN1CC2(C1)CN(C(=O)Cn1cnnn1)CCO2 1053150699 ZHHRBTASRWHISJ-UHFFFAOYSA-N 312.761 -0.661 30 20 DBED CC[C@H]1C[C@H](C(=O)N2CCOC3(CN(CC#N)C3)C2)CC(=O)N1 1053355873 HAQJFXVJENJUSU-STQMWFEESA-N 320.393 -0.272 30 20 DBED CO[C@@H](C(=O)N1CCOC2(CN(CC#N)C2)C1)c1cnn(C)c1 1053358564 UELXODMOIBJNPO-CYBMUJFWSA-N 319.365 -0.456 30 20 DBED N#CCN1CC2(C1)CN(C(=O)c1coc(C(N)=O)c1)CCO2 1053358943 GRRCNXROZCAPQF-UHFFFAOYSA-N 304.306 -0.571 30 20 DBED CC(C)N1CCO[C@H](C(=O)N2CCOC3(CN(CC#N)C3)C2)C1 1053393857 PJAZQLDBSSMEEC-AWEZNQCLSA-N 322.409 -0.468 30 20 DBED C[C@H](O)CN1CC2(C[C@H](NC(=O)c3c[nH]c(C#N)c3)CO2)C1 1053780356 JFGJUNKKDCYUPU-GWCFXTLKSA-N 304.350 -0.160 30 20 DBED C=CCCN1CC2(C[C@@H](NC(=O)CN3CCOCC3)CO2)C1 1053781592 MVWBNMHJBDHKKB-CQSZACIVSA-N 309.410 -0.146 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)c3cnn4ccncc34)CO2)C1 1053830827 MYBRRBHOWMPURZ-LBPRGKRZSA-N 311.345 -0.064 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)c3c[nH]c(C)cc3=O)CO2)C1 1053972649 IWNYKGDCBVEUPD-GFCCVEGCSA-N 301.346 -0.110 30 20 DBED O=C(N[C@]1(CO)CCCN(C(=O)C#CC2CC2)C1)c1cc[nH]n1 1055790939 UKPGMMQERVWRGE-MRXNPFEDSA-N 316.361 -0.094 30 20 DBED Cc1cc(N2C[C@H]3[C@H](NC(=O)Cn4cnnn4)[C@H]3C2)c(C#N)cn1 1056127079 AXVBBYQTUSAICE-JYAVWHMHSA-N 324.348 -0.501 30 20 DBED CSCC(=O)N(CCO)CCNC(=O)c1ccc(C#N)[nH]1 1056899722 HPRSFILADPGIFT-UHFFFAOYSA-N 310.379 -0.200 30 20 DBED CN(c1ccc(C#N)nn1)[C@H]1CCN(C(=O)C(C)(C)C(N)=O)C1 1056977054 DUKGVEYCRXFKTM-NSHDSACASA-N 316.365 -0.103 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)CCn1cccn1 1057013626 SGVDIUVMWDCRPN-GFCCVEGCSA-N 307.354 -0.630 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)CO[C@@H](C)CC 1057193285 CVMTTWFOFAPRJQ-ZDUSSCGKSA-N 316.398 -0.059 30 20 DBED CC(C)(O)CC(=O)N(CCO)CCNC(=O)c1c[nH]c(C#N)c1 1057461109 ZYKZOMWNMZFYSS-UHFFFAOYSA-N 322.365 -0.402 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)[C@H]1CCCCN1C 1058040613 VCUFZUQLPDWKGD-QWHCGFSZSA-N 310.398 -0.433 30 20 DBED C=C(C)C[C@H](C)C(=O)NCCN(CCO)C(=O)c1cnn(C)n1 1058095628 PAQJOLBWGCFEPR-LBPRGKRZSA-N 323.397 -0.032 30 20 DBED C#CCOCCC(=O)N1CCOC[C@@H]1CNC(=O)CSC 1061262012 RRQRSMXICMYYRN-LBPRGKRZSA-N 314.407 -0.267 30 20 DBED N#Cc1cncc(N2CCC[C@H]2CNC(=O)[C@@H]2COC(=O)N2)n1 1061353414 JNRJPVCLBBSUJK-QWRGUYRKSA-N 316.321 -0.458 30 20 DBED C=CCOCC(=O)N1CCOC[C@@H]1CNC(=O)Cc1cnoc1 1061800739 LMINGFDTFQEKBS-ZDUSSCGKSA-N 323.349 -0.237 30 20 DBED CCN(C)CCC(=O)N1CCOC[C@H]1CNC(=O)[C@H](C)C#N 1061848953 XKIUKHOQLYLLNL-CHWSQXEVSA-N 310.398 -0.169 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCCC[C@@H]1CNC(=O)c1nc[nH]n1 1062213207 NYBSUBOFVYEZQE-NWDGAFQWSA-N 319.365 -0.046 30 20 DBED C[C@H]1CN(C(=O)CC(N)=O)CC[C@@H]1Nc1cnc(C#N)cn1 1063714157 ULFNUNMSWLXGNS-ONGXEEELSA-N 302.338 -0.127 30 20 DBED C=C(C)CCC(=O)NC[C@@H]1CN(C(=O)CC(=O)NC)CCO1 1065082398 VPCKHZHDCATFHA-GFCCVEGCSA-N 311.382 -0.178 30 20 DBED C=CCCCC(=O)N1CCO[C@@H](CNC(=O)C2(C(N)=O)CC2)C1 1065544930 DEMUJKRDJXCDQI-LBPRGKRZSA-N 323.393 -0.048 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCCN(C)C(=O)c1c[nH]c(=O)cn1 1068041918 FKAUOTQDCJXYIT-JTQLQIEISA-N 305.338 -0.150 30 20 DBED CN1C(=O)CC[C@H]1C(=O)NCc1cnn2c1CN(CC#N)CC2 1069870187 XXSNXUBVBPVPQV-LBPRGKRZSA-N 316.365 -0.541 30 20 DBED CC#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1070003417 SFSBNJABHUSVRR-SEBNEYGDSA-N 315.377 -0.465 30 20 DBED C#CCOCCC(=O)NC1(CNC(=O)[C@@H](C)C#N)CCOCC1 1070116775 LTGRZZUAVBTEPM-ZDUSSCGKSA-N 321.377 -0.032 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@@H](NC(=O)c2cnco2)C1 1070639421 JLYWRPWUMQWFLH-LLVKDONJSA-N 318.333 -0.465 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)c4[nH]nnc4C)C[C@@]3(C1)O2 1070833672 NBERVXNOFONGQY-LALPHHSUSA-N 301.350 -0.338 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)CCn2ccnc2)CC1 1070983715 BUXAIAFUYPYBJX-UHFFFAOYSA-N 317.393 -0.443 30 20 DBED C[C@H]1CC[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)CN1CC#N 1071549841 VDORRURIILJEBA-RYUDHWBXSA-N 319.365 -0.960 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(C(=O)c2ccoc2)C[C@H]1C 1071590350 DYFVMVBNISMOGQ-DGCLKSJQSA-N 317.345 -0.004 30 20 DBED CC#CCN1C[C@H](NC(=O)CN2C(=O)CN(C)C2=O)CC[C@@H]1C 1072055373 TXZOSUKBJVHUEV-QWHCGFSZSA-N 320.393 -0.127 30 20 DBED C#CCCCC(=O)N[C@@H]1CCN(C(=O)c2nnn(C)n2)C[C@@H]1C 1073916084 IYXABTNQXJCVBU-NWDGAFQWSA-N 318.381 -0.020 30 20 DBED C[C@H]1[C@@H](NCCN2C(=O)CNC2=O)CCN1C(=O)[C@H](C)C#N 1074568635 VMWYAGFTJWNQBD-VWYCJHECSA-N 307.354 -0.723 30 20 DBED C[C@H]1[C@@H](NCC#N)CCN1C(=O)[C@@H]1CN2CC3CC2(CO1)C3 1074757175 QGYDVYCIMDRABR-LCEPCISISA-N 304.394 -0.048 30 20 DBED N#CCN1C[C@@H]2CCN(C(=O)C[C@@H]3CCS(=O)(=O)C3)[C@@H]2C1 1076007619 IEXLYVPYQSMLHG-RWMBFGLXSA-N 311.407 -0.133 30 20 DBED C[C@@H](CCNC(=O)c1cc(C#N)c[nH]1)NC(=O)[C@@H]1CCC(=O)N1 1076071171 MHINUYGHGKBQBN-ONGXEEELSA-N 317.349 -0.210 30 20 DBED CC(=O)N(C)CC(=O)N[C@@H](C)CCNC(=O)c1cc(C#N)c[nH]1 1076073582 XLBPLHWMCHOHFG-JTQLQIEISA-N 319.365 -0.011 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)CCSC 1076218086 VLRGZNWBVDCFQA-NSHDSACASA-N 313.423 -0.110 30 20 DBED C=CCO[C@@H](C)C(=O)NCC[C@H](C)NC(=O)Cn1ncnn1 1077068074 SDTHYLZBMQTFNG-QWRGUYRKSA-N 310.358 -0.725 30 20 DBED C#CCOCCC(=O)N[C@@H](C)CCNC(=O)C1(C(=O)NC)CC1 1077339871 DOXHMNDNSUGUPE-LBPRGKRZSA-N 323.393 -0.437 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2cnn3c(C)cc(C)nc23)C1 1077492415 IQDCDHKXRPLCSM-ZIAGYGMSSA-N 313.361 -0.246 30 20 DBED N#CCN[C@@H]1C[C@H](NC(=O)C2CC(=O)NC(=O)C2)C12CCC2 1078748573 BIETUWGFIIYJKC-MNOVXSKESA-N 304.350 -0.420 30 20 DBED Cc1nn(CC(=O)N[C@@H]2C[C@H](NCC#N)C23CCC3)c(=O)n1C 1078796760 DANRFFBZJNPYNL-NWDGAFQWSA-N 318.381 -0.569 30 20 DBED C=CCN[C@H]1C[C@H](NC(=O)c2cn(CC(N)=O)nn2)C12CCC2 1078819355 MLFVLGUOWIRWQT-RYUDHWBXSA-N 318.381 -0.420 30 20 DBED C#CCOCCC(=O)N(CC)C1CN(C(=O)[C@H]2COCCO2)C1 1079772319 OTNNKCHPRQUXEI-CQSZACIVSA-N 324.377 -0.499 30 20 DBED CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)[C@@H]2CCNC(=O)C2)C1 1080411482 NEPLKCICRINHTI-GHMZBOCLSA-N 306.366 -0.268 30 20 DBED C#CCOCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2ccoc2)C1 1081250845 HOFGYGUAUMOCCU-UONOGXRCSA-N 320.345 -0.131 30 20 DBED C#CCCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)Cn2cccn2)C1 1081253400 GFLRXPLCIMXCAN-UONOGXRCSA-N 318.377 -0.378 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)c2cnnn2C)C[C@H]1O 1081334631 AMHDZGFVNWZCDP-CMPLNLGQSA-N 307.354 -0.670 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2ccncn2)C[C@@H]1O 1081344740 UNLHLFGHZTVIAU-AAEUAGOBSA-N 320.349 -0.772 30 20 DBED N#CCSCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cc[nH]c2)C1 1081538768 FVWWOTUDGLCENS-NWDGAFQWSA-N 322.390 -0.179 30 20 DBED C=CCCCC(=O)NC[C@H]1CN(C(=O)c2ncn(C)n2)C[C@@H]1O 1081703717 UCPHKVQJSSRMLT-RYUDHWBXSA-N 321.381 -0.280 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cc(C(N)=O)co1 1083187679 GLXDHQVXKZYQJQ-WCQYABFASA-N 303.318 -0.463 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN([C@@H]3CCNC3=O)C[C@@H]2O)cc1 1083690735 IQAFCNAMMKXTCX-KFWWJZLASA-N 313.357 -0.669 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(Cc2ncccn2)C[C@@H]1O 1083789983 ITISAAHWZIYPJV-MQYQWHSLSA-N 318.377 -0.271 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCCN2C(=O)C(C)C)C1 1084068696 DBFWWEKKZUNTIQ-ILXRZTDVSA-N 321.421 -0.182 30 20 DBED N#CCN1CC[C@@H]2CN(C(=O)C3CCN(C(N)=O)CC3)[C@@H]2C1 1084821113 GZRNRMCVQRENRA-CHWSQXEVSA-N 305.382 -0.167 30 20 DBED CN(C[C@H]1CCN1CC#N)C(=O)[C@@H]1CN2CC3CC2(CO1)C3 1085731452 AZPUPOMEHDSANB-IQXANGCESA-N 304.394 -0.094 30 20 DBED C=CCCN1CC[C@H]1CN(C)C(=O)c1cn(C)c(=O)n(C)c1=O 1085850395 VXVORNJPQBICKR-LBPRGKRZSA-N 320.393 -0.194 30 20 DBED N#CCN[C@H]1C[C@H](CNC(=O)[C@@H]2CCc3nnnn3CC2)C1 1086483945 BMRHJEMSYSYBLP-IJLUTSLNSA-N 303.370 -0.366 30 20 DBED CCN(c1ccc(C#N)nn1)[C@H](C)CNC(=O)Cn1cnnn1 1089585057 LYVPEINFRIBCPR-SNVBAGLBSA-N 315.341 -0.634 30 20 DBED CC(C)(O)CC(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1O 1090412708 DAGXBJNBPTVXPF-GHMZBOCLSA-N 305.338 -0.825 30 20 DBED CC(=O)N[C@@H](C)C(=O)N1CCN(c2ccnc(C#N)n2)CC1 1093130847 ISIVVSZYZTUHPS-JTQLQIEISA-N 302.338 -0.479 30 20 DBED N#Cc1ccc(NCCNC(=O)CC[C@@H]2NC(=O)NC2=O)nc1 1093624377 HEZZBOQSAPPARP-JTQLQIEISA-N 316.321 -0.530 30 20 DBED Cc1ccc(C#N)c(NCCNC(=O)[C@H]2CCS(=O)(=O)N2)n1 1093646857 OJOXLPYAIHTKPG-LLVKDONJSA-N 323.378 -0.519 30 20 DBED Cc1cc(C#N)nc(NCCNC(=O)[C@@H]2CC(=O)N(C)C2)n1 1094192060 QTSAIUKTJPEBRF-SNVBAGLBSA-N 302.338 -0.337 30 20 DBED N#Cc1ccc(NCCCNC(=O)[C@@H]2CC[C@@H]2C(N)=O)nn1 1094704007 UEQHESXEOKQYHW-WDEREUQCSA-N 302.338 -0.222 30 20 DBED N#CCN1CC(N2C[C@H](NC(=O)[C@@]3(F)CCOC3)CC2=O)C1 1094778449 NGICCLKCRQEDOU-QMTHXVAHSA-N 310.329 -0.960 30 20 DBED C#CCCN1CC(N2C[C@@H](NC(=O)c3ncccn3)CC2=O)C1 1094803168 HYEHNLQVOPYCFI-LBPRGKRZSA-N 313.361 -0.485 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)C[C@H]3CCN(C)C3)CC2=O)C1 1094809738 OZKILQZHZUFMCQ-ZIAGYGMSSA-N 318.421 -0.637 30 20 DBED CN(CCCNC(=O)CCCC(N)=O)c1ccnc(C#N)n1 1095580463 IDMDVUYYXZCUQB-UHFFFAOYSA-N 304.354 -0.054 30 20 DBED C[C@@H](CC(N)=O)C(=O)N[C@@H]1CCN(c2nccnc2C#N)C1 1096457301 HVWGSTKJHQXVRI-VHSXEESVSA-N 302.338 -0.445 30 20 DBED CS(=O)(=O)CCC(=O)N[C@H]1CCN(c2cncc(C#N)n2)C1 1096502926 XSQVDNAYHMHHMO-JTQLQIEISA-N 323.378 -0.522 30 20 DBED CCS(=O)(=O)CC(=O)N1CC[C@H](Nc2nccnc2C#N)C1 1096943402 XYQQQEQZUMKVCS-JTQLQIEISA-N 323.378 -0.204 30 20 DBED C[C@@H](CNC(=O)c1nnc(O)nc1O)Nc1nccnc1C#N 1098435419 NCBLBHNILZZZSH-LURJTMIESA-N 316.281 -0.825 30 20 DBED N#CCN(CCO)C1CCN(C(=O)[C@@H]2CCCCC(=O)N2)CC1 1098478053 TXQFZUIRWFWFPO-AWEZNQCLSA-N 322.409 -0.146 30 20 DBED N#CCNCc1cn([C@@H]2CCN(C(=O)Cc3ccon3)C2)nn1 1098645824 WPAGOZQWNCGROH-CYBMUJFWSA-N 315.337 -0.105 30 20 DBED C#CCN1CC(C)(C)CC[C@H]1CNC(=O)CN1CCNC(=O)C1 1099171360 PERNOTZEWCPKQK-AWEZNQCLSA-N 320.437 -0.342 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CCN(CCS(C)(=O)=O)C[C@@H]1O 1099820935 NDEKLRPRUWHYME-OLZOCXBDSA-N 316.423 -0.758 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)CCn2ncn(C)c2=O)[C@H](O)C1 1099936047 YSAHPMGJGAYAFW-CHWSQXEVSA-N 323.397 -0.901 30 20 DBED C=CCN1CC[C@@H](NC(=O)COCc2nc(CC)no2)[C@@H](O)C1 1100072044 ODZNUNNHCKUGTA-NEPJUHHUSA-N 324.381 -0.114 30 20 DBED O=C(CC#Cc1ccccc1)N[C@H]1CCN(CCO)C[C@@H]1O 1100122853 XMFVFVIERLNWBC-HOTGVXAUSA-N 302.374 -0.028 30 20 DBED CN(CCNC(=O)c1coc(C(N)=O)c1)c1cnc(C#N)cn1 1100244592 VHKVIKFCTHHVPX-UHFFFAOYSA-N 314.305 -0.094 30 20 DBED CCN(CCNC(=O)CCNC(=O)NC)c1ccnc(C#N)n1 1100512164 KFBITEPLNYGCML-UHFFFAOYSA-N 319.369 -0.390 30 20 DBED C=CCNC(=O)[C@H](C)NC1CC(CNC(=O)c2nc[nH]n2)C1 1100767822 FOBLQTAPSGYUIL-WHXUTIOJSA-N 306.370 -0.407 30 20 DBED CCNC(=O)CC(=O)NC[C@@H]1CCN(c2nccnc2C#N)C1 1100975754 MYCRGWSRDISYQZ-NSHDSACASA-N 316.365 -0.183 30 20 DBED COCCOCCC(=O)N(C)CCN=c1cc[nH]c(C#N)n1 1101661104 CCYMFIOLRFOQEA-UHFFFAOYSA-N 307.354 -0.306 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(CC(=O)N2CCC2)C[C@H]1C 1101960447 CGEIMNLWJNJLAW-HUUCEWRRSA-N 321.421 -0.057 30 20 DBED CC[C@@H](CNC(=O)CN1CCCC1=O)N=c1cc[nH]c(C#N)n1 1102969150 WELOWTFOAJDPAJ-NSHDSACASA-N 316.365 -0.301 30 20 DBED C[C@@H](CN=c1cc[nH]cc1C#N)CNC(=O)[C@H]1CN(C)CCO1 1103889728 GSUSTOIYPHWRPW-SWLSCSKDSA-N 317.393 -0.130 30 20 DBED C[C@@H](CNC(=O)Cn1nccn1)CNc1ccc(C#N)nn1 1104109923 DOQCWWNZQAMWCE-SNVBAGLBSA-N 300.326 -0.196 30 20 DBED C=C(C)CNCc1cn(C2CN(C(=O)Cn3cnnn3)C2)nn1 1105152828 JCMLUMLBPYANKT-UHFFFAOYSA-N 317.357 -0.986 30 20 DBED C#CCCNCc1cn(C2CN(C(=O)Cc3cnc[nH]3)C2)nn1 1105335064 SIGJTIHYWNYPHV-UHFFFAOYSA-N 313.365 -0.260 30 20 DBED CN(CCN(C)c1cncc(C#N)n1)C(=O)[C@@]1(C)CNC(=O)C1 1105510823 ROXMCRCHZFUMDE-OAHLLOKOSA-N 316.365 -0.231 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](O)CNC(=O)c2cnc(C)[nH]2)n1 1105749667 CYSQRXOITSULOM-NSHDSACASA-N 315.337 -0.109 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](O)CNC(=O)CC2(O)CCC2)n1 1105810149 OYYFNUZULBFCSL-LBPRGKRZSA-N 319.365 -0.149 30 20 DBED C[C@@H]1CN(C(=O)c2cccn2C)C[C@H]1CNCC(=O)NCC#N 1105830287 XJQSZTYLHWGHJK-CHWSQXEVSA-N 317.393 -0.037 30 20 DBED C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1CNCC(=O)NCC#N 1105847748 GNAWITBPVIPFDW-VXGBXAGGSA-N 323.422 -0.433 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)Cc2nc[nH]n2)cn1 1105957540 HNUAXDSBHCIPJS-LLVKDONJSA-N 301.310 -0.797 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)C2(C(N)=O)CC2)nc1 1106098471 VRJMEDNTBMLNEO-JTQLQIEISA-N 303.322 -0.892 30 20 DBED CCNC(=O)CC(=O)N[C@@H](C)CCN=c1cc[nH]c(C#N)n1 1106286812 ACVVYDNKEFDTEH-JTQLQIEISA-N 304.354 -0.397 30 20 DBED CCCC(=O)NCC(=O)N(CC)CCN=c1cc[nH]c(C#N)n1 1106685398 OPIBGJIPMPXZKJ-UHFFFAOYSA-N 318.381 -0.053 30 20 DBED Cc1cc(=NC/C=C\CNC(=O)CNC(N)=O)c(C#N)c[nH]1 1107069416 CJIVKOVFZMPPJK-IHWYPQMZSA-N 302.338 -0.564 30 20 DBED CN1CCO[C@H](C(=O)NC/C=C\CNc2ccc(C#N)nn2)C1 1107093051 BAZPOTMQCMRWJW-ZRMMWKCHSA-N 316.365 -0.237 30 20 DBED N#Cc1nc(=NC/C=C/CNC(=O)C23CCN(CC2)C3)cc[nH]1 1107276814 RHFFRLYNMLRKNT-OWOJBTEDSA-N 312.377 -0.050 30 20 DBED N#Cc1cncc(NC/C=C\CNC(=O)C[C@@H]2CCNC2=O)n1 1107374822 JQKBMLYDCAFVKR-BVBSBALXSA-N 314.349 -0.041 30 20 DBED CNC(=O)NCC(=O)N[C@H](C)CN=c1cc(C)[nH]cc1C#N 1108185207 PXSFNQMEDIPTCZ-SNVBAGLBSA-N 304.354 -0.471 30 20 DBED C=CCN1CCN(C(=O)COCCC)[C@@H]2CS(=O)(=O)C[C@@H]21 1108462406 RXHPLGDJANUKIV-QWHCGFSZSA-N 316.423 -0.091 30 20 DBED C[C@@](O)(CC(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1)C1CC1 1108537467 PEXCSTNPWSRLNC-MLGOLLRUSA-N 320.393 -0.538 30 20 DBED C[C@@H](CN=c1cc[nH]cc1C#N)NC(=O)[C@@H]1CC(=O)N(C)C1 1108748660 WLVVNJUCQNILDH-WDEREUQCSA-N 301.350 -0.230 30 20 DBED Cc1cc(N(C)C[C@@H](C)NC(=O)Cn2ncnn2)c(C#N)cn1 1109119182 RRFREYRRQOEYOM-LLVKDONJSA-N 314.353 -0.111 30 20 DBED N#Cc1cncc(NC[C@@H](NC(=O)C2(C(N)=O)CC2)C2CC2)n1 1109963617 KUWSZMAJQSNFNC-LLVKDONJSA-N 314.349 -0.080 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H](CC)N(C)C 1110711520 BNGAWSNYKQMKHX-TUVASFSCSA-N 320.437 -0.203 30 20 DBED C[C@@H]1CN(C(=O)CNC(N)=O)C[C@@H]1Nc1cncc(C#N)n1 1112306392 FSEGBYJJUSGZRC-SCZZXKLOSA-N 303.326 -0.725 30 20 DBED CN(C[C@@H]1CCCN1C(=O)CNC(N)=O)c1nccnc1C#N 1112779665 GKRAOXQKNZGHLZ-JTQLQIEISA-N 317.353 -0.556 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)CO[C@H]2CCOC2)CC1 1112847973 DFAOYWNBSQWQAQ-KGLIPLIRSA-N 323.393 -0.926 30 20 DBED C[C@H](CNC(=O)[C@@H]1COCCO1)N(C)c1cncc(C#N)n1 1113502402 ZOGUYUSCABPUBQ-PWSUYJOCSA-N 305.338 -0.295 30 20 DBED C[C@@H](CNC(=O)[C@@]1(C)CCNC1=O)N(C)c1nccnc1C#N 1113872857 YLJHPJQPYHOQAI-BONVTDFDSA-N 316.365 -0.185 30 20 DBED N#CCSCC(=O)NC1[C@H]2CN(CCN3CCNC3=O)C[C@H]12 1113897716 ZLYMZWBQMPUUIE-QWRGUYRKSA-N 323.422 -0.685 30 20 DBED C[C@H](CNC(=O)CC(=O)N(C)C)N(C)c1ccnc(C#N)n1 1113917530 WLZIQULNLGQAFR-SNVBAGLBSA-N 304.354 -0.233 30 20 DBED Cc1ccc(CC(=O)NC2[C@H]3CN(CC(=O)NCC#N)C[C@H]23)o1 1114146589 CUVXLLOWUSPUSR-STQMWFEESA-N 316.361 -0.183 30 20 DBED C=C(C)CN1C[C@H]2[C@H](NC(=O)CCNS(C)(=O)=O)[C@H]2C1 1114361025 HWZXILVGQOZHRM-PJXYFTJBSA-N 301.412 -0.452 30 20 DBED Cc1noc(C(=O)N[C@H]2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]32)c1C 1114445650 USNRMULWVQOTMA-PJXYFTJBSA-N 317.349 -0.409 30 20 DBED CC(=O)NCC(=O)NCC1[C@H]2CN(c3cnc(C#N)cn3)C[C@H]12 1114503112 HQLVTFZFJILYGP-CHWSQXEVSA-N 314.349 -0.717 30 20 DBED C=C(C)CN(CC)C(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)C(N)=O)[C@H]2C1 1114754634 FHRVJKSXJLHFLR-WUHRBBMRSA-N 322.409 -0.669 30 20 DBED C[C@@H](CCCNc1cncc(C#N)n1)NC(=O)Cn1cnnn1 1114839334 XSIMQGHVVACCPP-JTQLQIEISA-N 315.341 -0.268 30 20 DBED COC(=O)NCC(=O)N[C@@H](C)CCCN=c1cc[nH]c(C#N)n1 1114844950 ZCRXSCLEQSXQHD-JTQLQIEISA-N 320.353 -0.177 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)c3ccnnc3)[C@H]2C1 1114883517 ZQGBVOXHSKIXCE-DRZSPHRISA-N 315.377 -0.173 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)NC1[C@@H]2CN(C[C@H](C)O)C[C@@H]12 1115301753 GQXWLXWWOSOIHM-QJPTWQEYSA-N 324.425 -0.323 30 20 DBED C[C@H](C#N)C(=O)NCCOCCCNc1nccn2nnnc12 1115391188 VBRMTFQCVBKMOE-SNVBAGLBSA-N 318.341 -0.386 30 20 DBED CN(C(=O)c1nc[nH]n1)[C@H](CN=c1cc[nH]c(C#N)n1)C1CC1 1115531790 YEFICMCZHBUOKN-SNVBAGLBSA-N 312.337 -0.149 30 20 DBED C[C@H](CC#N)N(C)C(=O)C(=O)Nc1cnn(CC(=O)N(C)C)c1 1116727554 XYECZMBXYLORJI-SNVBAGLBSA-N 320.353 -0.330 30 20 DBED Cc1cc(=N[C@@H](C)CN(C)C(=O)c2nnn(C)n2)c(C#N)c[nH]1 1120502486 QBOTUPWEESNCFS-JTQLQIEISA-N 314.353 -0.220 30 20 DBED Cc1cc(C#N)nc(N[C@H](C)CN(C)C(=O)[C@@H]2CNC(=O)N2)n1 1120634543 NPBQBGGWVQSCLH-KOLCDFICSA-N 317.353 -0.403 30 20 DBED C[C@H](C(=O)NC[C@@H](CO)Nc1ccc(C#N)nn1)n1cccn1 1121214282 YCBJOPPBWVNJKX-PWSUYJOCSA-N 315.337 -0.305 30 20 DBED Cc1cc(C#N)nc(N[C@@H](CO)CNC(=O)C[C@@H]2CCOC2)n1 1121398829 JLOKXQVEOLSZCH-WCQYABFASA-N 319.365 -0.028 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H](CO)CNC(=O)Cc1cc[nH]n1 1121398978 LGLMGHDXWXNWDC-GFCCVEGCSA-N 300.322 -0.770 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)Cc2ncc[nH]2)cn1 1121977886 WJIAAXQHOJADNA-LBPRGKRZSA-N 300.322 -0.192 30 20 DBED CCc1nc(C#N)cc(N[C@@H](CO)CNC(=O)CCN(C)C)n1 1122544807 URDFPICQEABAHQ-GFCCVEGCSA-N 320.397 -0.249 30 20 DBED COCCCCC(=O)N(C)C[C@@H](O)CN=c1cc[nH]c(C#N)n1 1124148835 FMKUFGPIHYBVQF-LBPRGKRZSA-N 321.381 -0.182 30 20 DBED COC[C@@H](C)C(=O)N(C)C[C@H](O)CNc1nccnc1C#N 1124197127 VQLCLQGWHGZIGF-GHMZBOCLSA-N 307.354 -0.138 30 20 DBED CC(C)N(C)CC(=O)N(C)C[C@@H](O)CN=c1cc[nH]cc1C#N 1124380851 DWDSXEPHYOPMDR-AWEZNQCLSA-N 319.409 -0.053 30 20 DBED C#CCNC(=O)CC(=O)NCCNCc1noc(C2CC2)n1 1126002058 CKVATIWFJKVICX-UHFFFAOYSA-N 305.338 -0.708 30 20 DBED C#CCO[C@@H](C)C(=O)NCc1cnn2c1CN(C[C@@H](C)O)CC2 1128363473 ZOXNEGUXYHXDQB-OLZOCXBDSA-N 320.393 -0.266 30 20 DBED CC#CCN1CCn2ncc(CNC(=O)[C@H](C)CC(N)=O)c2C1 1128431925 OCQMDPBCLWZABR-GFCCVEGCSA-N 317.393 -0.150 30 20 DBED CC#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H](C)CC(N)=O)C1 1129154094 KEJADSYJVNSZMY-UPJWGTAASA-N 318.381 -0.846 30 20 DBED CC#CCN[C@@H]1CN(C(=O)COCCOC)C[C@@H]1n1ccnn1 1129712326 HPVGFNAUXKWDGR-KGLIPLIRSA-N 321.381 -0.694 30 20 DBED COC[C@H](C)CC(=O)N1C[C@H](n2ccnn2)[C@H](NCC#N)C1 1130066975 QRESBLAHMCPAHA-UPJWGTAASA-N 306.370 -0.184 30 20 DBED C#CCN1CC[C@@]2(C1)CN(C(=O)CNC(=O)OC)C[C@H](C)O2 1131637857 CSMLCEWVGIGIMS-SWLSCSKDSA-N 309.366 -0.333 30 20 DBED C[C@@H]1CCN(C(=O)COCc2nncn2C)C[C@H]1CNCC#N 1133212276 AWXDRGOZBCLGOF-CHWSQXEVSA-N 320.397 -0.071 30 20 DBED C=CCCN[C@H](C)C[C@@H](C)NC(=O)Cn1cnc(C(N)=O)n1 1134399094 KCLULXXDLNTZJG-GHMZBOCLSA-N 308.386 -0.174 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)[C@H](C)OCCOC 1134673001 HRKHEJFCPGPIHT-RYUDHWBXSA-N 301.387 -0.566 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)C(C)(C)NC(C)=O 1135686374 HGPGGNNSEMSYQG-NWDGAFQWSA-N 324.425 -0.477 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cc(CC)cnc1O 1146183202 HVWICSRRNPRIPE-UHFFFAOYSA-N 304.350 -0.582 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)c2cccn(C)c2=O)C1=O 1148309641 QKNWVECIZIFDMX-CYBMUJFWSA-N 318.377 -0.508 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1c[nH]nc1-c1ccco1 1151571600 GZIULVQAFOOHNQ-UHFFFAOYSA-N 315.333 -0.262 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)CCc1cnn(C)c1 1152216155 RYMSKPUVVHYBOQ-GFCCVEGCSA-N 305.382 -0.804 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@H](C(C)C)N1CCCCC1 1152480542 WQJVASWWHOJGQE-INIZCTEOSA-N 322.453 -0.048 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)Cc1nnc(C)o1 1157493136 ATXPXCIODYPVQM-JTQLQIEISA-N 307.354 -0.846 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1cc(OC)ns1 1158310226 OTFPAHUSNSZNOR-UHFFFAOYSA-N 310.379 -0.389 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@@H]1CCO[C@H]1C(C)C 1159607713 QYXOJXNRAQVOBN-HIFRSBDPSA-N 309.410 -0.107 30 20 DBED COCC1(CNC(=O)C[C@@H]2CCNC2=O)CCN(CC#N)CC1 1162301206 WXFFMIPXPYYREI-ZDUSSCGKSA-N 322.409 -0.119 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)[C@@H](C)OCCOC 1167552874 SWPAQUZBICFURN-CHWSQXEVSA-N 315.414 -0.176 30 20 DBED C=CCCn1cc(C(=O)NCCCN[C@H](CC)C(N)=O)nn1 1167999378 VTNPYDBWJFEYNG-LLVKDONJSA-N 308.386 -0.172 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1c[nH]nc1C1CC1 1170000007 BUOOVWQOLHIDDC-UHFFFAOYSA-N 303.366 -0.254 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)CCCn1cncn1 1170289553 OHTUGICYLFFIQT-ZDUSSCGKSA-N 322.413 -0.155 30 20 DBED C[C@@H](CCCCNCC#N)NC(=O)CC[C@H]1NC(=O)NC1=O 1176484982 AQZGFOAGWIJTSS-WDEREUQCSA-N 309.370 -0.237 30 20 DBED COCC#CCNCCCC[C@@H](C)NC(=O)CCNC(N)=O 1176497157 WJAQHQVSRRRCNT-CYBMUJFWSA-N 312.414 -0.041 30 20 DBED C=CCNC(=O)CNCCCNC(=O)CC[C@@]1(C)CCC(=O)N1 1177614973 LSJNMIQILDVBLE-INIZCTEOSA-N 324.425 -0.167 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)CC(=O)NCC)[C@H]1C 1178513069 YQSTUEAUADCVKZ-AVGNSLFASA-N 322.409 -0.771 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@H](NCC(=O)NC2CC2)[C@@H]1C 1178678474 KWASUOLSHRQWNY-OBJOEFQTSA-N 307.394 -0.118 30 20 DBED C#CCNCCCCCCNC(=O)CCn1cc[nH]c(=O)c1=O 1179831474 FBLKNKXKBXEWNA-UHFFFAOYSA-N 320.393 -0.174 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@@H](NCC(=O)N2CCOCC2)C1 1182505489 ZNXWYRCQLCGZNA-ZIAGYGMSSA-N 323.393 -0.926 30 20 DBED CNC(=O)CNC[C@H]1CN(C(=O)[C@H](C)C#N)CC12CCOCC2 1186309273 FIEIXZHWHAMUJC-OLZOCXBDSA-N 322.409 -0.263 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)C(=O)NCC2CC2)C1 1186666328 YMRUFJVCNQWTBJ-DGCLKSJQSA-N 322.409 -0.606 30 20 DBED C#CCCN[C@@H]1CCN(C(=O)CS(=O)(=O)NC(C)(C)C)C1 1187925277 NYTRMMMJHCMFKO-GFCCVEGCSA-N 315.439 -0.082 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2[nH]cnc2C)C1 1188475278 QULGWLXMPVDCNH-NWDGAFQWSA-N 303.366 -0.340 30 20 DBED CCOCCNC(=O)CN(C)[C@H]1CCN(C(=O)[C@H](C)C#N)C1 1189391132 VWUNLRTUJFLUBI-OLZOCXBDSA-N 310.398 -0.169 30 20 DBED C=CCNC(=O)[C@H](C)N(C)[C@@H]1CCN(C(=O)c2ncn(C)n2)C1 1189983109 FGNZHBFBHNMURS-NWDGAFQWSA-N 320.397 -0.348 30 20 DBED COCC(=O)N[C@@H]1CN(CC#Cc2ccc(F)cc2)C[C@H]1O 1190588259 MMADKWQLLCIFSC-HUUCEWRRSA-N 306.337 -0.015 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)c2ccoc2)C1 1191005496 SDEQAMIVLOIMHF-CYZMBNFOSA-N 305.334 -0.808 30 20 DBED CCCN(C)CC(=O)N1CC[C@@H](N(C)CC(=O)NCC#N)C1 1193623046 WQYBOQVCTMMZRA-CYBMUJFWSA-N 309.414 -0.499 30 20 DBED C#CCO[C@H](C)C(=O)N1CCCN(CC(=O)NC(=O)NC)CC1 1195791661 IHDJMDNAOFXRNQ-GFCCVEGCSA-N 324.381 -0.985 30 20 DBED C#CCOCCC(=O)N1CCCN(CC(=O)NC2CC2)CC1 1195824481 RTYDPAUETZIXGC-UHFFFAOYSA-N 307.394 -0.161 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H](C)C(C)(F)F)C1 1196259848 LSPHZXDXOQXILY-HBNTYKKESA-N 319.352 -0.259 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CN(CCCOC)C[C@H]2O)nn1 1196749038 KRYYMAMSOCFOLB-DGCLKSJQSA-N 309.370 -0.725 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)CNC(=O)c2cscn2)C1 1197551311 IGWNDGKYLXEGGZ-ZYHUDNBSSA-N 324.406 -0.390 30 20 DBED CN(CC(=O)N[C@@H]1CN(CC#N)C[C@H]1O)C(=O)c1ccsc1 1198826365 KGOHROPQJWLFRB-VXGBXAGGSA-N 322.390 -0.495 30 20 DBED C#CCOCCC(=O)N1CCCO[C@H](CNCc2cnon2)C1 1200501018 MXUQALYRMBFHQF-CQSZACIVSA-N 322.365 -0.183 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)[C@@H]2COCCN2CC)CCCO1 1200858348 FJBDJUDZFWDCCO-CVEARBPZSA-N 323.437 -0.063 30 20 DBED N#CCNC[C@H]1CN(C(=O)COC2CCOCC2)CCCO1 1201532828 HSPXJIOWGMZOPY-AWEZNQCLSA-N 311.382 -0.087 30 20 DBED CN(C)CCC(=O)N[C@@H]1C[C@@H](NCC(=O)NCC#N)C12CCC2 1203347557 AJHFFBANEMBQTG-CHWSQXEVSA-N 321.425 -0.405 30 20 DBED CC#CCNCC1CCN(C(=O)[C@@H](C)NS(C)(=O)=O)CC1 1206410752 NVOLCYINZBRAEF-GFCCVEGCSA-N 315.439 -0.224 30 20 DBED CC#CCNCC1CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)CC1 1206507880 OSTFALVRCOFZHT-AWEZNQCLSA-N 322.409 -0.782 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CN(Cc2nnc3n2CCOC3)C[C@H]1C 1206640661 IWCHXTKOUVGUIP-QJPTWQEYSA-N 318.381 -0.096 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(CCS(C)(=O)=O)C[C@H]1C 1206964029 UWDHSUDWYJFNHJ-FRRDWIJNSA-N 316.423 -0.494 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1 1207755002 VXYFSLBRESATEH-GFCCVEGCSA-N 314.349 -0.280 30 20 DBED COCC#CCN1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)[C@H](C)C1 1208619277 FLOZILWKLHMNKT-APIJFGDWSA-N 321.421 -0.026 30 20 DBED CC#CCN[C@@H]1CCCN(C(=O)CCn2ncn(C)c2=O)C1 1208706071 YFNNPHADSUHASI-CYBMUJFWSA-N 305.382 -0.424 30 20 DBED C=C(Br)CN1C[C@@H](NC(=O)CC(N)=O)[C@H](OC)C1 1212068770 AXRDBYBAMJNUMI-RKDXNWHRSA-N 320.187 -0.414 30 20 DBED C#CCCCC(=O)N[C@@H]1CN([C@H]2CCC(=O)NC2=O)C[C@H]1OC 1212187036 IONBHYUAIBGOKX-FRRDWIJNSA-N 321.377 -0.590 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)Cc2ccco2)[C@H](OC)C1 1213599936 FYZKAQJPRLASNJ-ZIAGYGMSSA-N 321.377 -0.060 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)CNC(=O)CCC)C[C@H]1C 1214251684 XOJOWCKRRWMMQM-CHWSQXEVSA-N 324.425 -0.359 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)CO[C@@H](C)CC)C[C@H]1C 1214459145 QIJVQQHEPGHXOC-HZSPNIEDSA-N 309.410 -0.013 30 20 DBED C=CCCN[C@@H]1CN(C(=O)CS(=O)(=O)N(C)C)C[C@H]1C 1216614161 MJXBNARZPBILSX-VXGBXAGGSA-N 303.428 -0.110 30 20 DBED C=CCOCC(=O)N1CCO[C@@H]2CN(CC#CCOC)C[C@@H]21 1217532813 PJRYLWMSMUQVPS-LSDHHAIUSA-N 308.378 -0.250 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)COCCOCC 1219056041 ILUJOAKPADHZPX-LSDHHAIUSA-N 310.394 -0.026 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)c2cccnc2)C1 1219100768 VXHBBFMZCPRZTM-YUTCNCBUSA-N 318.377 -0.453 30 20 DBED COc1cncc(CN2C[C@H](O)[C@H](NC(=O)[C@H](C)C#N)C2)n1 1219381130 IXALUHDNRNYDQG-JLLWLGSASA-N 305.338 -0.694 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2oc(C)cc2C)C1 1219430377 BLDFRUMZBXQMMM-OLZOCXBDSA-N 319.361 -0.579 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2occc2CC)C1 1220278878 PDWISCWTFIPVJW-OLZOCXBDSA-N 319.361 -0.634 30 20 DBED C#CCOCCC(=O)N1C[C@H]2CCN([C@H](CC)C(N)=O)C[C@H]21 1221542501 NWURSHKCAWGGRB-MGPQQGTHSA-N 307.394 -0.177 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H](O)C(C)C 1226028379 PBXMHWGXKHNADD-UMVBOHGHSA-N 309.410 -0.230 30 20 DBED C[C@@H]1OCC[C@@H]1C(=O)NC1CCN(CC(=O)NCC#N)CC1 1229732661 NIFQXOGHNGBZLZ-AAEUAGOBSA-N 308.382 -0.368 30 20 DBED CC#CCN1CCS(=O)(=O)[C@@H](CCNC(=O)C(F)F)C1 1230406272 JQLUPBNDIUURMA-JTQLQIEISA-N 308.350 -0.120 30 20 DBED CC#CCN1CCS(=O)(=O)[C@H](CCNC(=O)C(F)F)C1 1230406273 JQLUPBNDIUURMA-SNVBAGLBSA-N 308.350 -0.120 30 20 DBED COCC#CCN1CC[C@H]1CN(C)C(=O)[C@H]1CC(=O)N(C)C1 1234643078 MAPNWNUOFGAVOQ-KBPBESRZSA-N 307.394 -0.353 30 20 DBED CNC(=O)CN1CCC(NS(=O)(=O)CCCC#N)CC1 1251774783 CKNVFVUYFACXHO-UHFFFAOYSA-N 302.400 -0.580 30 20 DBED C=CCCC[C@H](C)NC(=O)C(=O)NC[C@@H]1CC[C@H](C(N)=O)O1 1322821492 WPXDCDYIILEFKX-SDDRHHMPSA-N 311.382 -0.004 30 20 DBED CC(C)(C)n1cnc(NC(=O)C(=O)N2CC[C@](O)(CC#N)C2)n1 1326048491 IBOFVCPRPAJJRX-CQSZACIVSA-N 320.353 -0.151 30 20 DBED Cc1nn(C)c(Br)c1C(=O)NCC(=O)NCC#N 1326480010 KYACXSYDFMCSFB-UHFFFAOYSA-N 314.143 -0.139 30 20 DBED C=C(C)CONC(=O)C(=O)Nc1ncn(CC(=O)OCC)n1 1326483994 LYQVGUZFFIXCJG-UHFFFAOYSA-N 311.298 -0.596 30 20 DBED CC#CCN(C)C(=O)C(=O)N1CCN(CCC(=O)OC)C[C@H]1C 1331214235 GVADWBKMPDTRFT-CYBMUJFWSA-N 323.393 -0.436 30 20 DBED C=CCCC[C@H](N)C(=O)NCCC(=O)N1CCN(C(C)=O)CC1 1341543206 BFNWYBVHCZKZTF-AWEZNQCLSA-N 324.425 -0.133 30 20 DBED CN(CC(C)(C)N)C(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1351856156 ZCFPNAKACROTFF-GFCCVEGCSA-N 307.398 -0.619 30 20 DBED N#Cc1cn(CC(=O)N2CCC[C@H]2c2cc[nH]n2)c(=O)nc1O 1362743246 URCDLBXFTHMNLN-NSHDSACASA-N 314.305 -0.093 30 20 DBED Cc1nc(NC(=O)CCn2cc(C#N)c(O)nc2=O)nn1C 1362941535 XEJUNYNLWBDNKT-UHFFFAOYSA-N 303.282 -0.714 30 20 DBED N#Cc1cc(F)ccc1CS(=O)(=O)N[C@@H]1COC[C@@H]1O 1364019458 GVAALYOXLHPHTN-NEPJUHHUSA-N 300.311 -0.124 30 20 DBED CC(C)(C#N)CS(=O)(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 1365636219 PHUVLVKJAJTYMX-JTQLQIEISA-N 323.440 -0.120 30 20 DBED COC(=O)[C@@H](NS(=O)(=O)c1ccc(CC#N)cc1)[C@@H](C)O 1365735176 IQDYZRAFTURZCK-SKDRFNHKSA-N 312.347 -0.047 30 20 DBED CCCS(=O)(=O)CC(=O)NC[C@@H]1CCN1C(=O)[C@H](C)C#N 1389638822 DDVCUPGTBQFWSG-MNOVXSKESA-N 315.395 -0.312 30 20 DBED N#Cc1ccc(C(=O)NC[C@H](O)CNC(=O)[C@@H]2CCCCO2)[nH]1 1392058887 BBBPTZGAKGXEKC-AAEUAGOBSA-N 320.349 -0.338 30 20 DBED COCCN(CCNC(=O)[C@@H](C)C#N)C(=O)Cn1cc(C)cn1 1396173651 QKPYFISZEXPQDX-ZDUSSCGKSA-N 321.381 -0.058 30 20 DBED COC(=O)[C@H]1C[C@@H]1C(=O)N(C)CCNC(=O)c1cc(C#N)c[nH]1 1397890296 HWPSMIYNVJGMRT-QWRGUYRKSA-N 318.333 -0.116 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)C(C)(C)S(C)(=O)=O)CC1 1400677815 KULBNXJRRGUDRK-SECBINFHSA-N 315.395 -0.266 30 20 DBED CC(C)S(=O)(=O)CC(=O)N(C)CCN(C)C(=O)[C@H](C)C#N 1410003066 XGRAUIZAFWAXLH-LLVKDONJSA-N 317.411 -0.114 30 20 DBED C[C@@H](C#N)C(=O)NCC1CN(C(=O)CN(C)C(=O)C2CC2)C1 1416118503 FDPHYSPPOBLTES-JTQLQIEISA-N 306.366 -0.411 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@H]2CNC(=O)Cc2nc[nH]n2)[nH]1 1433817468 ALFYIAZOZWFAFK-JTQLQIEISA-N 313.321 -0.422 30 20 DBED COCCN(CCNC(=O)c1cncn1C)C(=O)[C@H](C)C#N 1452156953 BEDCBRSALWFCLQ-LLVKDONJSA-N 307.354 -0.215 30 20 DBED C#CCNC(=O)CN(C)C[C@H](C)NC(=O)[C@@H](C(C)C)N(C)C 1483380074 CXHKGTINBJLZPO-DZGCQCFKSA-N 310.442 -0.242 30 20 DBED C[C@H](CNC(=O)c1cc(C#N)c[nH]1)N(C)C(=O)[C@@H]1COCCO1 1486835233 NUFJTWUUOFJTBH-MFKMUULPSA-N 320.349 -0.122 30 20 DBED N#Cc1ncn(CCNC(=O)Cn2ncc3ccccc3c2=O)n1 1539480822 JOIHENRRBSVELX-UHFFFAOYSA-N 323.316 -0.324 30 20 DBED COC[C@]1(C(=O)O)CCN(C(=O)[C@@H](C)n2cnc(C#N)n2)C1 1574130785 ROZVPVKVNALILS-RNCFNFMXSA-N 307.310 -0.340 30 20 DBED C[C@H]1CCN(c2cnc(C#N)c(-c3nn[nH]n3)n2)CC[S@]1=O 1576214299 OSHBNOWRNPCQPJ-QSIZCVBASA-N 318.366 -0.124 30 20 DBED C=CCNC(=O)CN1CCN(Cc2cc(C(=O)O)no2)CC1 1588844524 KPVHWOMCWIXOQP-UHFFFAOYSA-N 308.338 -0.207 30 20 DBED C=CCn1cc(C(=O)NC2CN(C(=O)[C@H]3C[C@H]3C(=O)O)C2)nn1 1588910480 ZSGKFMZHLHCXGH-VHSXEESVSA-N 319.321 -0.875 30 20 DBED CCC(=O)N[C@@H](C)C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[nH]1 1590363788 WWNDDJTVUKJJLJ-YFKPBYRVSA-N 303.286 -0.685 30 20 DBED C[C@H](CC(=O)O)N1CCN(C(=O)C#CC2CCNCC2)CC1 1592406162 NQTLYCUVFGIFKM-CYBMUJFWSA-N 307.394 -0.003 30 20 DBED C[C@H]1CCN(C(=O)C(=O)N2CCC(C#N)(C(=O)O)CC2)CCO1 1594393456 ODCHZQOVLOUPNO-NSHDSACASA-N 323.349 -0.159 30 20 DBED N#CCN1CCOC2(CCN(C(=O)[C@H]3C[C@@H]3C(=O)O)CC2)C1 1601074767 PVSPDBCSDHDEMU-RYUDHWBXSA-N 307.350 -0.076 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)c1ccc(C(=O)O)n1C 1602902193 RMKVPLCKENOXOZ-UHFFFAOYSA-N 309.278 -0.108 30 20 DBED N#C[C@@H]1COCCN1S(=O)(=O)c1ccc(-c2nn[nH]n2)o1 1609494587 HOBXDPFAOVYBLC-SSDOTTSWSA-N 310.295 -0.627 30 20 DBED Cn1cc(-n2cc(C(=O)N3CCOC[C@H]3C#N)ccc2=O)cn1 1645677720 MBRBXZSVFAUTCX-GFCCVEGCSA-N 313.317 -0.064 30 20 DBED CCN(CCO[C@@H](C)C#N)CC(=O)N[C@@H]1CCS(=O)(=O)C1 1645762973 CLLLDZKIFKXDTK-NWDGAFQWSA-N 317.411 -0.460 30 20 DBED Cc1[nH]c2ccnn2c(=O)c1CC(=O)N1CCO[C@@H](C#N)C1 1647084124 XSUZWLBXQKKQNE-JTQLQIEISA-N 301.306 -0.376 30 20 DBED N#CCC1(O)CN(C(=O)[C@H]2CNC(=O)C[C@H]2C(F)(F)F)C1 1649949821 LXNRMSFWGXHKFG-JGVFFNPUSA-N 305.256 -0.212 30 20 DBED C=C(C)CN1CCN(CCCNC(=O)Cn2cncn2)CC1 1752356806 GCRKFKJSXSCOIK-UHFFFAOYSA-N 306.414 -0.022 30 20 DBED C=CCNC(=O)CN[C@H]1C[C@@H](NC(=O)CCc2nc[nH]n2)C1 1752722078 LSMQFFFUJMENNE-PHIMTYICSA-N 306.370 -0.724 30 20 DBED COCC#CCN[C@H](C)CNC(=O)c1ccc2nnc(O)n2c1 1752905855 RUWWQGFGIDOBLE-LLVKDONJSA-N 317.349 -0.207 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 1752989041 WJRKLSNGQNNQGZ-GJZGRUSLSA-N 320.437 -0.247 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N(C)CCNC(=O)C(F)F 1753038844 AWXSJBKASQIKEB-QMMMGPOBSA-N 306.313 -0.300 30 20 DBED C[C@H](Cc1cnn(C)c1)C(=O)NCCN(C)CC(=O)NCC#N 1753069369 FYMWGMUSNNDDSS-GFCCVEGCSA-N 320.397 -0.714 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC[C@H]1CNC(=O)C(C)(C)C(N)=O 1753105257 ASOXSNBJPKDXHV-NEPJUHHUSA-N 322.409 -0.784 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC(NC(=O)C(C)(C)NC(C)=O)C1 1753390386 ZYCHNOOIOHDLMF-SNVBAGLBSA-N 310.398 -0.608 30 20 DBED COCCC1(C(=O)N(C)[C@@H]2CCN(CC(=O)NCC#N)C2)CC1 1753435934 BLUBZDCSSHXJID-CYBMUJFWSA-N 322.409 -0.024 30 20 DBED C[C@H](C#N)C(=O)N[C@](C)(CNCCN1C(=O)CNC1=O)C1CC1 1753515322 YDUBRLQDRWRDTD-MEBBXXQBSA-N 321.381 -0.428 30 20 DBED COc1cnc(C(=O)NC[C@@H](C)CNCC(=O)NCC#N)nc1 1753623796 KLCNOIAGEKULHX-JTQLQIEISA-N 320.353 -0.920 30 20 DBED C#CCNC(=O)CNC[C@@H](C)CNC(=O)[C@H]1CCCCN1CC 1753644820 NQYGRJLZPGMLGB-HUUCEWRRSA-N 322.453 -0.048 30 20 DBED C=CCN1CC[C@@H](N[C@H](CNC(=O)CNC(C)=O)C(C)C)C1=O 1753822719 OVXPLNIDFNIEGJ-ZIAGYGMSSA-N 324.425 -0.360 30 20 DBED CC(C)[C@H](CNC(=O)c1ncccn1)NCC(=O)NCC#N 1753843118 QFPIFMQXECVGLW-NSHDSACASA-N 304.354 -0.540 30 20 DBED C#CCN1CC(O)(CNC(=O)CNC(=O)c2ccoc2C)C1 1754766799 FAWKHEPSLDAIDI-UHFFFAOYSA-N 305.334 -0.886 30 20 DBED C#CCNC(=O)CN1CC(O)(CNC(=O)[C@@H]2CCC[C@@H]3C[C@H]32)C1 1754769516 CLQZKIKCMGMGSZ-MGPQQGTHSA-N 319.405 -0.665 30 20 DBED C#CCNC1CCN(CCNC(=O)c2cc[n+]([O-])cc2)CC1 1754847221 KTPZAPWRKUGYTB-UHFFFAOYSA-N 302.378 -0.263 30 20 DBED C=CCNC(=O)CN1C[C@@H]2CCCN(C(=O)c3cnon3)[C@@H]2C1 1754873503 LRRRBHDUXOUFCZ-WCQYABFASA-N 319.365 -0.092 30 20 DBED C=CCNC(=O)CNC[C@@H]1CN(C(=O)c2ccncc2)CCO1 1754995850 OVAQITZWMNOXOQ-CQSZACIVSA-N 318.377 -0.186 30 20 DBED C=C[C@](C)(O)CC(=O)NC1(CN[C@@H](C)C(N)=O)CCOCC1 1755095074 VAHJFNGGSCEEHS-FZMZJTMJSA-N 313.398 -0.558 30 20 DBED CCS(=O)(=O)N(C)CC(=O)NCC1[C@@H]2CN(CC#N)C[C@@H]12 1755434347 RGGGHQSNKNSUFM-RYUDHWBXSA-N 314.411 -0.915 30 20 DBED C#CCO[C@H](C)C(=O)N(C)[C@@H](C)CNC(=O)Cc1cnc[nH]1 1756074177 WMPNLUVAOCQEAU-NWDGAFQWSA-N 306.366 -0.046 30 20 DBED C=C[C@](C)(O)CC(=O)N(C)[C@H](CNC(=O)CC(N)=O)C1CC1 1756408672 DVSUFFAPTGNHOG-ABAIWWIYSA-N 311.382 -0.458 30 20 DBED O=C(C#CC1CC1)N[C@@H](CO)CNC(=O)c1ncc(F)cc1F 1756534202 VVKSIPJEGRKFPH-LLVKDONJSA-N 323.299 -0.020 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(C(=O)c2ccn(C)n2)C[C@H]1O 1757008532 GNXYKRLGFARRLB-CHWSQXEVSA-N 322.365 -0.686 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](NC(=O)[C@@H]2C[C@H]2C)[C@H]1C 1757532681 XTEUNFJWSNXPLQ-LPWJVIDDSA-N 305.378 -0.113 30 20 DBED N#CC1(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)COCCO)C3)CC1 1795848594 WATRPBRCOZCLIX-CLLJXQQHSA-N 321.377 -0.063 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c(C)n[nH]c1C)C2 1800454026 ZFYKQTNRXXFCIA-JJLQDPRZSA-N 316.361 -0.137 30 20 DBED N#CCCC(=O)NC1CCN(C2CCN(C(=O)CN)CC2)CC1 1834605782 QRGNIDUTBOEJQY-UHFFFAOYSA-N 321.425 -0.180 30 20 DBED NC(=O)NCC(=O)N1CC2(CCCN2C(=O)C#CC2CC2)C1 1841542701 SQFKMKSGOMADFY-UHFFFAOYSA-N 304.350 -0.729 30 20 DBED N#CCCC(=O)N1CC2(CCCN2C(=O)CC[C@@H](N)C(N)=O)C1 1842944749 OAWBPPRKXNVAAD-LLVKDONJSA-N 321.381 -0.914 30 20 DBED C=CCC(=O)N1CCCC12CN(C(=O)CC[C@@H](N)C(N)=O)C2 1846376205 UQWQZBKPYLIQND-LLVKDONJSA-N 308.382 -0.641 30 20 DBED C#CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cc([N+](=O)[O-])cn1 1848163803 CXFUZNSGDJHTRN-RYUDHWBXSA-N 317.305 -0.374 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@](C)(O)CCC)CC1 125287511 KQDUSBVNHHRTSH-MRXNPFEDSA-N 309.410 -0.179 30 20 DBED CN(C)/C(N)=N/CCC(=O)N1CCN(c2ccccn2)CC1 170913447 YBXMUSRZWZEXRV-UHFFFAOYSA-N 304.398 -0.003 30 20 DBED N#Cc1ccc(S(=O)(=O)N(CC(=O)O)CC(=O)O)s1 230324903 XDXGTDMCVXNMSM-UHFFFAOYSA-N 304.305 -0.220 30 20 DBED N#Cc1cc([N+](=O)[O-])ccc1N1CCN2C(=O)C(=O)NC[C@H]2C1 267521429 YQZDORGIRSIIMJ-NSHDSACASA-N 315.289 -0.387 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCC[C@@H](C)C1 278464163 SHXZYODTRVAMAW-LLVKDONJSA-N 302.396 -0.038 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCCS(=O)(=O)NC 280975339 MACVRGHRTJADIS-MNOVXSKESA-N 305.400 -0.184 30 20 DBED C#CCN(CC#N)C(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 282128770 YLUHQRNBUBYZFS-CQSZACIVSA-N 318.377 -0.848 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N1CCC[C@@H](c2n[nH]c(=O)o2)C1 295138787 DIFQKLKBWHAKFP-NXEZZACHSA-N 323.353 -0.057 30 20 DBED C[C@H]1COCCN1CCNS(=O)(=O)N(C)[C@@H](C)CC#N 330410285 KSYOIKDHXCMUJF-RYUDHWBXSA-N 304.416 -0.225 30 20 DBED C[C@]1(CNS(=O)(=O)N2CCO[C@H](C#N)C2)CCCC[C@@H]1O 337070649 OEOOEBUOBAPXMS-FRRDWIJNSA-N 317.411 -0.014 30 20 DBED CN(CC[C@@H]1CCCO1)S(=O)(=O)N1CCO[C@H](C#N)C1 337158347 QUFDGEXIEIUECX-NWDGAFQWSA-N 303.384 -0.044 30 20 DBED CS(=O)(=O)N[C@H]1CCC[C@@H]1CNS(=O)(=O)CCCC#N 340886989 OAPRUJQMZSJZPC-MNOVXSKESA-N 323.440 -0.073 30 20 DBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cn(C)nn1 342485561 VUNGUIMRHXUPHW-SNVBAGLBSA-N 312.337 -0.172 30 20 DBED COC(=O)[C@H]1CNC(=O)CN1C(=O)COc1ccccc1C#N 344814607 BBYQDGILDBYAPB-LLVKDONJSA-N 317.301 -0.563 30 20 DBED COC(=O)C[C@@H]1COCCN1S(=O)(=O)N(C)[C@@H](C)CC#N 344958168 QVWHEICNSAGQLT-WDEREUQCSA-N 319.383 -0.271 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N[C@@H]1CCOC[C@@H]1OCC 355260939 ZJTXTHHXOZWMPR-OLZOCXBDSA-N 314.382 -0.042 30 20 DBED N#C[C@@]1(NC(=O)CCNS(=O)(=O)c2cccnc2)CCOC1 358468528 BGDOUXRFPMGKJB-ZDUSSCGKSA-N 324.362 -0.451 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)CCOCC#C)CC1 372882654 PRYJVQRVIVCYKA-UHFFFAOYSA-N 305.378 -0.690 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@H]1CCS(=O)(=O)C1 407950582 AMNBQPYEUMVZRJ-UWVGGRQHSA-N 309.413 -0.511 30 20 DBED C[C@@H]1CCCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)[C@@H]1C(=O)O 424367388 LVHOPJZAFGVUMU-VWYCJHECSA-N 317.367 -0.359 30 20 DBED N#Cc1ncn(CC(=O)NC[C@@H](O)COc2ccc(F)cc2)n1 427066079 XVFQFVYGXQQNNQ-LLVKDONJSA-N 319.296 -0.155 30 20 DBED CS(=O)(=O)N1CCC[C@@H](Cn2c(N)nc(C#N)c2C#N)C1 443420679 UZGDLRAYKUUSJP-SECBINFHSA-N 308.367 -0.120 30 20 DBED C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N(CC#N)C1CC1 446020482 RBEJVDKBKPRBHH-SECBINFHSA-N 311.367 -0.399 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](O)[C@H](N(C)CC(=O)OC(C)(C)C)C1 487692059 RAEIJUMLJLHLEC-QJPTWQEYSA-N 311.382 -0.009 30 20 DBED CC#CCN(C)C(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C 515906142 FMZSPYQNLLRSBA-UHFFFAOYSA-N 302.334 -0.329 30 20 DBED CCN1CCCN(C(=O)C(=O)NC2CCN(CC#N)CC2)CC1 588125508 DIUCVWFYRWQNRS-UHFFFAOYSA-N 321.425 -0.355 30 20 DBED C[C@@H](C#N)CN(C)C(=O)C(=O)N1CCN([C@@H]2CCOC2)CC1 595206097 QWFBPWIBBXHXIY-QWHCGFSZSA-N 308.382 -0.462 30 20 DBED CC[C@H](CC#N)NC(=O)C(=O)Nc1ccn(C(C)(C)C(=O)O)n1 595238839 YVTOAFCLFRTQHE-SECBINFHSA-N 321.337 0.450 30 20 DBED CN(CC1(C)COC1)C(=O)C(=O)N1CCN(CCC#N)CC1 601519618 GXRHGZPTBVXYTI-UHFFFAOYSA-N 308.382 -0.461 30 20 DBED CCN(C[C@@H](C)C#N)C(=O)CN1C(=O)N[C@]2(CCOC2)C1=O 611115385 HVILLVRPTLXNRY-HZMBPMFUSA-N 308.338 -0.295 30 20 DBED C=CCOC[C@H](NC(=O)c1cc(C(=O)OC)no1)C(=O)OC 619511601 DESHOWBYRLLBJE-VIFPVBQESA-N 312.278 -0.065 30 20 DBED CC#CC[C@H](CO)NC(=O)C(=O)Nc1cc(C)cc(C(N)=O)c1 646950620 COWFHGOOVCVUAQ-GFCCVEGCSA-N 317.345 -0.077 30 20 DBED CC#CC[C@H](CO)NC(=O)C(=O)Nc1cnn(CC(F)F)c1 646952888 NCXWMJOXHOYOAP-SECBINFHSA-N 314.292 -0.023 30 20 DBED C#CCNC(=O)CN1CCN(S(=O)(=O)CCCC)CC1 728589976 OYEAGQRANXIPOI-UHFFFAOYSA-N 301.412 -0.517 30 20 DBED N#CCNC(=O)COC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 731236015 NYCTUSRAKLZSCJ-JTQLQIEISA-N 305.290 -0.189 30 20 DBED CC#CCCOC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 760290301 XWSHBBDEQYHLPZ-RYUDHWBXSA-N 313.375 -0.021 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)[C@H]1CCCCS1(=O)=O 772401307 GBROQJOFHZHMNK-SECBINFHSA-N 318.351 -0.491 30 20 DBED C#C[C@H](NCc1nc2c(=O)n(C)c(=O)n(C)c2[nH]1)[C@H]1CCCO1 775796391 XTNMIOVGYWSFIS-VHSXEESVSA-N 317.349 -0.769 30 20 DBED C#CCOCCNS(=O)(=O)c1ccc(OC)c(C(N)=O)c1 784453410 FCABNGPCJBGCJN-UHFFFAOYSA-N 312.347 -0.278 30 20 DBED C#CCOCCNC(=O)c1cc(S(=O)(=O)NC)oc1C 784769355 YYIMYLXRHMHLPV-UHFFFAOYSA-N 300.336 -0.124 30 20 DBED C[C@@H](NS(C)(=O)=O)C(=O)O[C@H](C)C(=O)NC1(C#N)CCC1 787767433 NKVGEWQUSCTODW-RKDXNWHRSA-N 317.367 -0.582 30 20 DBED C#CCCS(=O)(=O)N1CCN(CC(=O)N[C@@H](C)CC)CC1 791420361 MJTUZYFFYCIPMQ-ZDUSSCGKSA-N 315.439 -0.128 30 20 DBED CCN(CCC#N)C(=O)COC(=O)CCn1cnccc1=O 796337218 OWVRNTNQNLSHFS-UHFFFAOYSA-N 306.322 -0.061 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)Cn2cc([C@H](C)O)nn2)C1=O 799027024 AEOZRAZBMQFWLU-JQWIXIFHSA-N 307.354 -0.423 30 20 DBED CC(C)(O)CCNC(=O)C(=O)NCCNc1ccc(C#N)cn1 807565264 AYAQELAESJVHSM-UHFFFAOYSA-N 319.365 -0.241 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCc2c[nH]nc2C1)[C@@H]1CCCO1 809305861 KRSVMMOHHWQHDI-AAEUAGOBSA-N 302.334 -0.409 30 20 DBED C=C[C@@H](O)C(=O)O[C@@H](C)C(=O)N1CCN(c2ncccn2)CC1 814549965 OLDQYSOEQZEBAN-NWDGAFQWSA-N 320.349 -0.396 30 20 DBED COCCNC(=O)[C@H](C#N)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 826160205 ITCCBUJGBPINQT-MRVPVSSYSA-N 303.282 -0.720 30 20 DBED C#CC1CCN(CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1 830330464 ZKBQDYCVWSYOPU-UHFFFAOYSA-N 304.350 -0.806 30 20 DBED CC(C)CN1N=C(C(=O)NS(=O)(=O)CCC#N)CCC1=O 835408312 GTDKNATTZRQJBO-UHFFFAOYSA-N 314.367 -0.020 30 20 DBED C=C(Br)CNC(=O)C(=O)NCC(F)(F)CN 842271347 VFFRGBHFSSRMEV-UHFFFAOYSA-N 300.103 -0.279 30 20 DBED N#CCn1cc(NC(=O)C(=O)N2C[C@@H]3CCC[C@]3(CN)C2)cn1 846318922 JKFQIKDAWJKBCJ-NHYWBVRUSA-N 316.365 -0.067 30 20 DBED C=C[C@H](O)C(=O)N1[C@@H](C)SC[C@H]1C(=O)NCCC(=O)OC 861984587 RTKFPRCJRZBGNH-UTLUCORTSA-N 316.379 -0.497 30 20 DBED C#CCN(C(=O)Cn1nc2n(c1=O)CCCC2)C1CSC1 912362949 XZJBIJVIUYYQOY-UHFFFAOYSA-N 306.391 -0.042 30 20 DBED C#CCN1CCC[C@H](NC(=O)CCCN2C(=O)CN(C)C2=O)C1 923591445 AVBCQMFDCRVIRL-ZDUSSCGKSA-N 320.393 -0.126 30 20 DBED O=C(NCC#CCO)N1CCN(C(=O)c2ccc(O)cc2)CC1 923784202 WYQUQWHGMGTSJL-UHFFFAOYSA-N 317.345 -0.145 30 20 DBED CC(=O)N1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H](C)C#N)C1 938373001 AIEQEPMFOOJNHF-WXHSDQCUSA-N 306.366 -0.126 30 20 DBED CCn1nncc1C(=O)NC[C@@H]1CN(C(=O)[C@@H](C)C#N)CCO1 944577228 CBYONVJFAJMWBW-WDEREUQCSA-N 320.353 -0.585 30 20 DBED Cc1nnccc1C(=O)NC[C@@H]1CN(C(=O)[C@H](C)C#N)CCO1 944691605 RKLGIJFFQKHLBR-ZYHUDNBSSA-N 317.349 -0.098 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CNC(=O)[C@H]2CCC(=O)N2)CC1 949390960 NMTOXCPACBYNDI-CMPLNLGQSA-N 306.366 -0.221 30 20 DBED C#Cc1cncc(C(=O)NC[C@@H]2CCN2C(=O)c2cnn(C)n2)c1 952012502 SBTYBXWNOZWUHD-ZDUSSCGKSA-N 324.344 -0.164 30 20 DBED C[C@@H]1C[C@H](NC(=O)c2nnn(C)n2)CCN1C(=O)C#CC1CC1 955669075 MRPKTXCGVVOIIT-ZYHUDNBSSA-N 316.365 -0.267 30 20 DBED CN1C[C@H](C(=O)N[C@]2(C)CCN(C(=O)C#CC3CC3)C2)CC1=O 957063842 VSVFUOFEPOFFEC-CXAGYDPISA-N 317.389 -0.015 30 20 DBED C[C@]1(NC(=O)c2c[nH]c(=O)cn2)CCN(C(=O)C#CC2CC2)C1 957448011 WKUDUNSSPDVFQC-INIZCTEOSA-N 314.345 -0.096 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](CNC(=O)c2ccc(C(N)=O)[nH]2)C1 958409530 UPFSZEPUIHMESU-MFKMUULPSA-N 306.366 -0.288 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1[C@@H]2CN(CC(=O)N(C)C)C[C@@H]21 960355463 ZQOMTAAONYCRKF-KNCOVGOOSA-N 318.421 -0.781 30 20 DBED C#CCN1C[C@@H]2C(NC(=O)c3ccc(-n4cnnn4)cn3)[C@H]2C1 961355407 GYEBJRLTJOIOPV-RYUDHWBXSA-N 309.333 -0.650 30 20 DBED CN1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2O)C1 963422570 XBWGIAPICLIYOT-MCIONIFRSA-N 305.378 -0.961 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CCCN(C(=O)Cn3nccn3)[C@@H]2C1 963753150 BHOLQFUYZBEYRR-RWMBFGLXSA-N 316.365 -0.113 30 20 DBED C=CCN1CCO[C@]2(CCN(C(=O)[C@H]3COCCN3C)C2)C1 972348227 ITVANNXLKWEFHW-GDBMZVCRSA-N 309.410 -0.194 30 20 DBED C=CCn1cc(C(=O)N2CC[C@@]3(CN(CC#N)CCO3)C2)nn1 972585371 LPJAQQFBUZYNEZ-OAHLLOKOSA-N 316.365 -0.095 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3COC(=O)N3)C2)[nH]1 974045272 SPXHWMGGKJWMDK-NGZCFLSTSA-N 317.305 -0.628 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@@H]3CN(C(=O)C(N)=O)[C@@H]3C2)cc1 974971856 ODHLLEXRWRPDAA-ZIAGYGMSSA-N 311.341 -0.174 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]2CCN(C(=O)Cn3cnnn3)C[C@@H]21 975548592 ZHMDTNBDQKKFOT-WOPDTQHZSA-N 317.353 -0.718 30 20 DBED CC#CCN1C[C@H](NC(=O)c2cn(C)c(=O)nc2O)C(C)(C)C1 977592680 VIZJBXQAVXGCCF-LBPRGKRZSA-N 318.377 -0.051 30 20 DBED Cc1nnc2n1C[C@H](C(=O)NCC1[C@@H]3CN(CC#N)C[C@@H]13)CC2 979099641 HEPSMZPFJGUOAC-XBFCOCLRSA-N 314.393 -0.034 30 20 DBED N#CCN1CCCN(C(=O)Cn2nc3ccccn3c2=O)CC1 981720418 DSYDTKSCHOTNFC-UHFFFAOYSA-N 314.349 -0.446 30 20 DBED COCCN1C[C@@H](C(=O)N2CCC(N(C)CC#N)CC2)CC1=O 985457364 PFGFGJXGKURUKZ-ZDUSSCGKSA-N 322.409 -0.072 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)c2c[nH]c(=O)cn2)[C@H]1C 989543087 AVFFUVIEVAOZFI-AEJSXWLSSA-N 303.322 -0.351 30 20 DBED Cc1cc(C)n(CC(=O)N2C[C@@H](NCC#N)C[C@H]2C)c(=O)n1 989615347 PMWNLYPQBWMSAS-OLZOCXBDSA-N 303.366 -0.037 30 20 DBED N#CCN[C@@H]1CCC[C@H]2CN(C(=O)CN3CCNC(=O)C3)C[C@H]21 992773857 DLMFYGZPPHIJEW-BFHYXJOUSA-N 319.409 -0.842 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H](NCCN2C(=O)CCC2=O)C1 998744259 ALSBNURXZBQCRX-NEPJUHHUSA-N 306.366 -0.124 30 20 DBED C#CCN[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(CCOC)C2)C1 999298058 KQSLFASYTUULKY-KBPBESRZSA-N 307.394 -0.305 30 20 DBED C=CCN[C@@H]1CCCN(C(=O)CCc2nnc(O)nc2O)C1 999585094 HLZUJIDFUNOCEF-SNVBAGLBSA-N 307.354 -0.018 30 20 DBED C#CCN1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCCN3C)nn2)C1 999963488 QZKMDHVBKMOOBT-CABCVRRESA-N 316.409 -0.132 30 20 DBED N#Cc1c[nH]c(C(=O)NCC2CN(C(=O)C3=COCCO3)C2)c1 1001337392 XUGWGGNGTQIEPZ-UHFFFAOYSA-N 316.317 -0.037 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCC1CCN(CC(=O)NC)CC1 1001492020 NVIUIQVCRVXWRF-HNNXBMFYSA-N 320.437 -0.342 30 20 DBED COCC(=O)N1C[C@H]2C[C@@H]3CN(C(=O)[C@@H](C)C#N)C[C@]2(C1)O3 1001573519 WTVSVWSFMHIKHJ-YFCNSXCBSA-N 307.350 -0.379 30 20 DBED C=CCn1cc(C(=O)NCC2CN(C(=O)c3cnon3)C2)nn1 1001960563 MBMQUOJYQCFKLY-UHFFFAOYSA-N 317.309 -0.651 30 20 DBED CN1C[C@@H](C(=O)NCC2CN(C(=O)C#CC3CC3)C2)CC1=O 1002459980 SIZKXZJVMCCNGB-ZDUSSCGKSA-N 303.362 -0.547 30 20 DBED CC#CCN1CCC[C@@H](NC(=O)[C@@H]2COCCN2C(C)=O)C1 1009567731 FHGGXCOFGNNWIW-CABCVRRESA-N 307.394 -0.162 30 20 DBED CCN1C[C@H](C(=O)N2CCN(C(=O)[C@@H](C)C#N)CC2)CC1=O 1011247928 CIVHEKUERPBYLG-NWDGAFQWSA-N 306.366 -0.315 30 20 DBED C#Cc1cncc(C(=O)NC2[C@H]3CN(C(=O)CC(N)=O)C[C@H]23)c1 1013744449 LIJRAOOIKHUNNF-RYUDHWBXSA-N 312.329 -0.875 30 20 DBED C=C(C)CCN1CC[C@@H](NC(=O)CN2CCN(C)C(=O)C2)C1 1015002230 ZDMTVOXDMWSCDK-CQSZACIVSA-N 308.426 -0.083 30 20 DBED C=CCCN1C[C@@H]2CC[C@H](C1)N2C(=O)c1cn(CC(N)=O)nn1 1018309118 PDUZOXZANWIKDF-TXEJJXNPSA-N 318.381 -0.372 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCN(C(=O)[C@H]3CCC(=O)N3)C2)C1 1019361765 QHHQYBKMQUUQMN-WDEREUQCSA-N 304.350 -0.514 30 20 DBED COc1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2O)sn1 1023958856 YIYBAGPNKVEKDF-DJLDLDEBSA-N 324.362 -0.387 30 20 DBED C#CCN[C@H]1CC[C@H](NC(=O)[C@H]2CN(C(C)=O)CCO2)CC1 1034786404 WSRKIPQWNDTTNI-RBSFLKMASA-N 307.394 -0.116 30 20 DBED N#CCN1CCO[C@@H](CNC(=O)c2ccnc3[nH]cnc23)C1 1035387995 RXYCRGBXWNSXGE-JTQLQIEISA-N 300.322 -0.088 30 20 DBED N#CCN1CCO[C@@H](CNC(=O)c2c[nH]nc2[C@H]2CCOC2)C1 1035461196 OQAVDYRESFXISQ-RYUDHWBXSA-N 319.365 -0.132 30 20 DBED CC#CCN1CCO[C@@H](CNC(=O)c2c(C)ncnc2O)C1 1035487016 JBVIUEOIBHVTAX-LBPRGKRZSA-N 304.350 -0.055 30 20 DBED C#CCCN1CC[C@H]2CN(C(=O)Cn3ncn(C)c3=O)CC[C@@H]21 1036754059 ZTGUJSOFHDBHBQ-KBPBESRZSA-N 317.393 -0.472 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2CCN2Cc2cnnn2C)nn1 1038785319 ZCMCOBRLQRAQDJ-NSHDSACASA-N 316.369 -0.403 30 20 DBED C#CCCN1[C@H]2CCC[C@H]1CN(C(=O)CN1CCNC(=O)C1)C2 1039823524 RRMVTHSOFXFCML-GJZGRUSLSA-N 318.421 -0.493 30 20 DBED Cc1[nH]nc(C(=O)N2CC[C@@](O)(CNC(=O)[C@H](C)C#N)C2)c1C 1040763673 QTAZTWOPGLUUOS-RFAUZJTJSA-N 319.365 -0.121 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)CCC)C1 1041195647 WNEBBFIKUCSGCU-ZDUSSCGKSA-N 307.394 -0.426 30 20 DBED C=CCN1CC[C@]2(CCN(C(=O)CN3CCNC(=O)C3)C2)C1 1041540301 MAZZELYCCZMISV-INIZCTEOSA-N 306.410 -0.471 30 20 DBED C=CCN1CC[C@H]2CCN(C(=O)Cn3ncn(C)c3=O)C[C@H]21 1042120815 BAVPWSKMEDBZAF-QWHCGFSZSA-N 305.382 -0.309 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)/C=C\C2CC2)C1 1043032798 IISPFAVYPNRAKH-WAYWQWQTSA-N 306.362 -0.318 30 20 DBED C=CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1043576330 PANPIOWAAPWVIK-NDBYEHHHSA-N 324.377 -0.841 30 20 DBED CC[C@@H]1CCO[C@@H]1C(=O)NCC1(O)CN(C(=O)[C@@H](C)C#N)C1 1043659585 RECSKHQSGJBHAJ-TUAOUCFPSA-N 309.366 -0.349 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)[C@@H]2COCCO2)C1 1044483915 CIWCYEIKKCHCLZ-NSHDSACASA-N 312.366 -0.697 30 20 DBED C=CCCCC(=O)NCC1(O)CN(C(=O)C[C@@H]2CCC(=O)N2)C1 1045451570 WDXSTJJYNVMFJQ-LBPRGKRZSA-N 323.393 -0.299 30 20 DBED CCn1ccnc1C(=O)N1CC(O)(CNC(=O)[C@H](C)C#N)C1 1045540547 ILHORIRCQLDPDX-SNVBAGLBSA-N 305.338 -0.634 30 20 DBED Cc1ccoc1CC(=O)NCC1(O)CN(C(=O)[C@H](C)C#N)C1 1046321735 HOIXQEAAABIVKJ-LLVKDONJSA-N 305.334 -0.020 30 20 DBED C=CCCn1cc(C(=O)N[C@@]2(C)CCN(CC(N)=O)C2)nn1 1046689333 JLWNKYFFLSIIIO-AWEZNQCLSA-N 306.370 -0.466 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C2=COCCO2)C1 1048129559 ARBHZLGLIIQYTL-STQMWFEESA-N 322.361 -0.292 30 20 DBED C=CCOCC(=O)N(C)[C@H]1CN(C(=O)CCCF)C[C@@H]1O 1048557884 JJVKMXMUZPNIFI-RYUDHWBXSA-N 302.346 -0.031 30 20 DBED C#CCCCC(=O)N1CC[C@H]([C@@H](C)NC(=O)CNC(N)=O)C1 1050579740 DPFBDQBAFLJZHK-NEPJUHHUSA-N 308.382 -0.189 30 20 DBED CC#CCN1CCOC[C@@H]1CNC(=O)c1cncc(C(N)=O)c1 1051247171 CJKCLPWAXMFSBZ-AWEZNQCLSA-N 316.361 -0.366 30 20 DBED N#CCN1CCC[C@@H](NC(=O)c2nccnc2C(N)=O)CC1 1052921533 JONLRLZHQQGWRY-SNVBAGLBSA-N 302.338 -0.317 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)Cc1cncnc1)CCO2 1053237655 OMHNULLEIHPAJG-UHFFFAOYSA-N 300.362 -0.044 30 20 DBED C#CCN1CC2(C1)CN(C(=O)CCc1ccnn1C)CCO2 1053275550 ISFWYPOOYBHMJM-UHFFFAOYSA-N 302.378 -0.101 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)[C@@H](OC)[C@H]1CCOC1)CCO2 1053355329 BMSLCLBDEAPPJV-GJZGRUSLSA-N 322.405 -0.026 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)[C@@H]3CC(=O)N(CCC)C3)CO2)C1 1053940816 LSYGITKYAMLBEL-ZIAGYGMSSA-N 319.405 -0.162 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)c3c[nH]c(C(N)=O)c3)CO2)C1 1054008003 QDWFQDNAYKEQAG-GFCCVEGCSA-N 316.361 -0.290 30 20 DBED C[C@@H](C#N)C(=O)NC1CCN(CCNC(=O)c2cnon2)CC1 1055622533 OGCXYHJPTVNOMF-JTQLQIEISA-N 320.353 -0.460 30 20 DBED CS(=O)(=O)CC(=O)N1CCN(c2cnc(C#N)cn2)CC1 1055732670 AFRRBXGRBKWLLL-UHFFFAOYSA-N 309.351 -0.959 30 20 DBED N#Cc1nccnc1N1C[C@H]2[C@H](NC(=O)c3cc[n+]([O-])cc3)[C@H]2C1 1056099688 HYBJAPXJVKZMMP-IMRBUKKESA-N 322.328 -0.154 30 20 DBED N#Cc1cncc(N2C[C@@H]3C(NC(=O)CN4CCCC4)[C@H]3C2)n1 1056226051 RGQIOPFHEQIUSR-STQMWFEESA-N 312.377 -0.005 30 20 DBED Cn1ncc(C(=O)NC2[C@@H]3CN(c4cncc(C#N)n4)C[C@@H]23)n1 1056256697 MOFHULGECVELQG-NXEZZACHSA-N 310.321 -0.659 30 20 DBED C=C[C@@](C)(O)CC(=O)N(CCO)CCNC(=O)[C@H](O)C(C)C 1057450766 YRVCUUSAKRHWAQ-UKRRQHHQSA-N 316.398 -0.733 30 20 DBED CCO[C@H](C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N)C1CC1 1057670145 QWUQBWBDMVCXRR-AAEUAGOBSA-N 311.382 -0.102 30 20 DBED N#Cc1cnc(N2CC[C@@H](NC(=O)[C@@H]3CCC(=O)N3)C2)cn1 1058408957 XAKBUZJZUISALV-KOLCDFICSA-N 300.322 -0.678 30 20 DBED Cc1nnc(CC(=O)NC[C@H]2COCCN2C(=O)[C@@H](C)C#N)o1 1061554544 QOQUNPNRJKLRQO-ONGXEEELSA-N 321.337 -0.576 30 20 DBED N#Cc1ccc(N2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2C[C@H]2C(N)=O)nn1 1062580378 SSUITMGKXXGICP-YFKTTZPYSA-N 312.333 -0.741 30 20 DBED CN(C(=O)Cn1cnnn1)[C@@H]1CCN(c2ccc(C#N)nn2)C1 1062884631 YPBAFUGBBIXWCT-LLVKDONJSA-N 313.325 -0.928 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)C[C@H]2CCNC2=O)CCC1 1063298211 YQBIJLDTOHNNGB-GHMZBOCLSA-N 306.366 -0.173 30 20 DBED C=CCOCC(=O)NC1(CNC(=O)[C@@H]2CN(C)C(=O)N2)CCC1 1063916258 ZGTSOMMJSYMTEG-NSHDSACASA-N 324.381 -0.632 30 20 DBED CCn1nncc1C(=O)N[C@@H]1[C@H]2C[C@H]1N(c1cnc(C#N)cn1)C2 1064246311 MRVFGUFRJGNSNQ-DRCTWCGVSA-N 324.348 -0.033 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H]1CN(C(=O)CCC)CCO1 1064764541 XETWMXNKYOLBGZ-GFCCVEGCSA-N 309.366 -0.730 30 20 DBED C#CCOCCC(=O)NC[C@H]1CN(C(=O)[C@H]2CCOC2)CCO1 1064935448 RPCMZSRZIXSOJN-KBPBESRZSA-N 324.377 -0.594 30 20 DBED C=CC(C)(C)C(=O)NC[C@H]1CN(C(=O)Cn2nccn2)CCO1 1065195761 RKIBBJWMEMEAON-LBPRGKRZSA-N 321.381 -0.166 30 20 DBED C[C@]1(NC(=O)[C@H]2CCNC2=O)CCN(c2ccnc(C#N)n2)C1 1065312604 UAJVBFOBMJSHAC-BONVTDFDSA-N 314.349 -0.431 30 20 DBED C=CCC1(C(=O)NC[C@@H]2CN(C(=O)C(N)=O)CCO2)CCCC1 1065556015 PHRDKNHTZVZPRI-GFCCVEGCSA-N 323.393 -0.048 30 20 DBED CN(CCCN(C)C(=O)Cc1nc[nH]n1)C(=O)CSCC#N 1066873005 DNTBVFKBDIZVKM-UHFFFAOYSA-N 324.410 -0.089 30 20 DBED C=CCC(C)(C)C(=O)N1CC2(CC[C@@H](CNC(=O)C(N)=O)O2)C1 1068617909 KCLPMCIRBGPZGS-NSHDSACASA-N 323.393 -0.050 30 20 DBED C[C@@H]1[C@H](N=c2cc[nH]cc2C#N)CCN1C(=O)CS(C)(=O)=O 1068774036 IRCOGKGVICFMET-ZYHUDNBSSA-N 322.390 -0.179 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@H]1COC2(C1)CN(C(=O)COC)C2 1068832670 IANLBTITBAHWNO-RISCZKNCSA-N 312.366 -0.554 30 20 DBED C#CCN1CCn2ncc(CNC(=O)c3cc[n+]([O-])cc3)c2C1 1069851869 YSNJACIPOAANFW-UHFFFAOYSA-N 311.345 -0.105 30 20 DBED C#CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2cc(C)[nH]n2)C1 1069901310 ZGGOQIWLORQOOH-KGLIPLIRSA-N 313.365 -0.012 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H]2CCC(=O)N2)C1 1070078591 HCMKITFRPARQRI-TUAOUCFPSA-N 304.354 -0.916 30 20 DBED C=CCN[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@@H]1n1ccnn1 1070266602 LESXSNVBNMXMLF-NEPJUHHUSA-N 315.337 -0.797 30 20 DBED N#CCSCC(=O)N1CCC[C@@H](NC(=O)Cc2nc[nH]n2)C1 1070453086 JKLSOGMHGPTILT-SNVBAGLBSA-N 322.394 -0.289 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)CCc4nc[nH]n4)C[C@@]3(C1)O2 1070782226 YABBKUGHJCZSRN-WOSRLPQWSA-N 315.377 -0.328 30 20 DBED C=CCOCC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CCCNC2=O)C1 1070876855 TWWKOOFAVTWPSD-CHWSQXEVSA-N 323.393 -0.178 30 20 DBED C[C@H]1CN(C(=O)CNC(N)=O)C[C@@H]1NC(=O)c1ccc(C#N)[nH]1 1071573697 HNHQPTQLHDOLNE-KWQFWETISA-N 318.337 -0.869 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)CN(C)C(C)=O)C[C@H]1C 1071658080 JQRIDFUAQNAVDL-DGCLKSJQSA-N 311.382 -0.370 30 20 DBED C#CCN1CCC(C(=O)NC[C@@H]2CN(CCO)CCCO2)CC1 1073899511 VVSDOSPWMDSMJW-MRXNPFEDSA-N 323.437 -0.469 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)CNC(N)=O)C[C@@H]2CC1 1074361548 HGWGAAFDBLVSCP-UTUOFQBUSA-N 321.381 -0.489 30 20 DBED C=CCCOCC(=O)N[C@@H](C)CCNC(=O)Cn1nccn1 1076697597 YEWHNHQEECZKGD-LBPRGKRZSA-N 309.370 -0.118 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)Cn2cnnn2)C1 1079288419 MXWAWJJFBJZEPQ-NSHDSACASA-N 322.369 -0.677 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(N(CC)C(=O)c2cn(C)nn2)C1 1079714624 QETAYHQFIPSDPZ-HNNXBMFYSA-N 321.381 -0.185 30 20 DBED C#CCCCC(=O)NC1(CO)CCN(C(=O)c2cnn[nH]2)CC1 1080835010 ACGSCPCTXHKBRD-UHFFFAOYSA-N 319.365 -0.309 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)C2CN(C(C)=O)C2)C[C@H]1O 1081335231 JCVJORRSVJKGIQ-GXTWGEPZSA-N 323.393 -0.634 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)CN2CCCC2)C[C@H]1O 1081338969 YVOKNKBUGIZBSU-UONOGXRCSA-N 309.410 -0.016 30 20 DBED C=C(Cl)CN1C[C@@H](NC(=O)C2CS(=O)(=O)C2)[C@H](OC)C1 1081731858 XXHGKCTWNDGSQQ-GHMZBOCLSA-N 322.814 -0.401 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@@H]1CCc2nnc(C)n2C1 1082382544 JPLHYWSWTWFXNA-JHJVBQTASA-N 318.381 -0.512 30 20 DBED C[C@@H](C(=O)N[C@@H]1CN(CC#N)C[C@@H]1O)n1nnnc1C(C)(C)C 1083513731 WOICXFIBCRWTIV-AXFHLTTASA-N 321.385 -0.784 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)[C@]2(C3CCCC3)CCNC2=O)C1 1083536550 WWFQYBPEAGOKSS-WWGRRREGSA-N 320.393 -0.632 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1 1083569810 OFQODOWQYZTIKU-RGOKHQFPSA-N 323.271 -0.982 30 20 DBED CN(C[C@@H]1CCN1[C@H]1CCNC1=O)C(=O)c1cc(C#N)c[nH]1 1085534772 SLKOCVVYAPKMCB-AAEUAGOBSA-N 301.350 -0.079 30 20 DBED Cn1cc([C@@H]2CN(C(=O)CC(C)(C)O)C[C@H]2NCC#N)cn1 1086977209 IMNPLYYAEJVCAS-QWHCGFSZSA-N 305.382 -0.011 30 20 DBED C#CCN[C@H]1CCCCCN(C(=O)CCn2ncn(C)c2=O)C1 1088353461 ZFKNPFNDTSAUOZ-AWEZNQCLSA-N 319.409 -0.034 30 20 DBED C=CCN1CC[C@@H](NC(=O)c2cn(CCOC)nn2)[C@@H](O)C1 1090257865 KUYRFIIAIOTXEX-YPMHNXCESA-N 309.370 -0.725 30 20 DBED C#CCCN1CC[C@H](NC(=O)CN2CCCCC2=O)[C@@H](O)C1 1090384335 JSXWQUUHVJFCAT-KBPBESRZSA-N 307.394 -0.426 30 20 DBED CS[C@H](C)C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1O 1090386351 VYOXOVDQAPOCOA-OPRDCNLKSA-N 307.379 -0.235 30 20 DBED CC[C@H](C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1O)N(C)C 1090454579 DXBLEVRYFSTJKB-JHJVBQTASA-N 318.381 -0.646 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2cnn(CCN(C)C)c2)[C@@H](O)C1 1090637266 JGGJIMUQBPVFPE-CABCVRRESA-N 319.409 -0.757 30 20 DBED CCC[C@H](OC)C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1091166412 RXCSZCHZCXGAGG-WOPDTQHZSA-N 319.365 -0.171 30 20 DBED N#Cc1cncc(N[C@H]2C[C@H](CNC(=O)Cn3cnnn3)C2)n1 1091426621 XCIIDIFCSFBCBB-MGCOHNPYSA-N 313.325 -0.658 30 20 DBED Cc1ccc(C#N)c(N2CCN(C(=O)CNC(N)=O)CC2)n1 1093132650 NQCCGQAGODYFLR-UHFFFAOYSA-N 302.338 -0.421 30 20 DBED Cc1ccnc2nc(C(=O)NCCNc3nccnc3C#N)nn12 1093611505 PXUUEFAHPMLREV-UHFFFAOYSA-N 323.320 -0.064 30 20 DBED C=CCN1CC(n2cc(CNC(=O)[C@@H]3C[C@H]3C(=O)OC)nn2)C1 1094279369 JJMYEPHVEOQAHN-CHWSQXEVSA-N 319.365 -0.254 30 20 DBED C=CCN1CC(n2cc(CNC(=O)[C@H]3CCC(=O)N3)nn2)C1 1094281210 NOYXGEMFRZCNAM-GFCCVEGCSA-N 304.354 -0.784 30 20 DBED Cc1cc(C#N)nc(NCCCNC(=O)Cn2nccn2)n1 1094607853 RWKWUUXNZCNKBK-UHFFFAOYSA-N 300.326 -0.133 30 20 DBED C=CCN1CCN(C(=O)c2cccnn2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094669231 NPTXOFQAYQIROX-QWHCGFSZSA-N 322.390 -0.414 30 20 DBED C#CCCN1CC(N2C[C@@H](NC(=O)[C@@H]3CCCCO3)CC2=O)C1 1094722991 ZSGPPGFVPHMXKD-ZFWWWQNUSA-N 319.405 -0.020 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)Cc3cncnc3)CC2=O)C1 1094730264 VUZWUCNVPKWGQW-ZDUSSCGKSA-N 315.377 -0.394 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)[C@H]3CCCC(=O)N3)CC2=O)C1 1094747269 NKHLCIWXIFUFIW-WCQYABFASA-N 320.393 -0.758 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)c3csc(O)n3)CC2=O)C1 1094775041 RGBWWRDDLOTDMN-VIFPVBQESA-N 320.374 -0.503 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@@H](Nc2ccc3nnnn3n2)C1 1095067157 OVBDPRHVVAOMJM-WDEREUQCSA-N 315.337 -0.430 30 20 DBED N#Cc1ccc(N[C@H]2CCCN(C(=O)CCNC(N)=O)C2)nn1 1095295660 GNDWZYYQQGFROD-NSHDSACASA-N 317.353 -0.190 30 20 DBED CCN(CCCNC(=O)[C@@H]1COC(=O)N1)c1nccnc1C#N 1095871059 VURHJHWIDZOHSY-NSHDSACASA-N 318.337 -0.211 30 20 DBED N#Cc1cncc(N2CCCC[C@H]2CNC(=O)CC(N)=O)n1 1097401671 PDSXKDKDIKMZAI-NSHDSACASA-N 302.338 -0.301 30 20 DBED CC(=O)N1CC(C(=O)NC[C@H](C)Nc2ccc(C#N)nn2)C1 1097779243 HIJNEGFKRFKWID-VIFPVBQESA-N 302.338 -0.257 30 20 DBED C#CCCN(CCO)C1CCN(C(=O)C[C@H]2CCNC2=O)CC1 1098390754 XLYYASAGDDEEHT-CQSZACIVSA-N 321.421 -0.179 30 20 DBED C[C@H]1CN(C)C[C@@H]1C(=O)N1CCC(N(CC#N)CCO)CC1 1098479282 ZKEQWHYPKKXCDC-ZFWWWQNUSA-N 308.426 -0.007 30 20 DBED C#CCCCC(=O)N1CC[C@@H](n2cc(CNCC(N)=O)nn2)C1 1098666869 JMSBXTTXAAKGPV-CYBMUJFWSA-N 318.381 -0.570 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)c2ccc(O)nn2)[C@H](O)C1 1099641887 JDWWKHIDSGOXED-DGCLKSJQSA-N 322.365 -0.450 30 20 DBED Cc1cc(C(=O)N[C@H]2CCN(CC(=O)NCC#N)C[C@H]2O)co1 1099789204 LLJUUQSCSIBJLA-QWHCGFSZSA-N 320.349 -0.607 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)C2(C)CCC2)[C@@H](O)C1 1099944814 RATZKCWCSKUGAV-OLZOCXBDSA-N 307.394 -0.523 30 20 DBED CCCC(=O)NCC(=O)NCCN(C)c1ccc(C#N)nn1 1099974558 HTCIIWCCVCXMCQ-UHFFFAOYSA-N 304.354 -0.183 30 20 DBED CN(CCNC(=O)CNC(=O)C1CC1)c1nccnc1C#N 1099997881 PUNXDPFAFKHBJR-UHFFFAOYSA-N 302.338 -0.573 30 20 DBED C=CCNC(=O)[C@H](C)NC1CC(CNC(=O)CNC(=O)CC)C1 1100191415 JPXGRXPVMDBOBT-HIFPTAJRSA-N 324.425 -0.312 30 20 DBED CN(CCNC(=O)c1cccc(=O)n1C)c1ccc(C#N)nn1 1100319155 ZQUSOLZXIYRNOO-UHFFFAOYSA-N 312.333 -0.087 30 20 DBED CN(CCNC(=O)c1ccc(=O)n(C)c1)c1ccnc(C#N)n1 1100401976 OTLMWGFKDMHMBS-UHFFFAOYSA-N 312.333 -0.087 30 20 DBED CCN(CCNC(=O)c1cnnn1C)c1ccnc(C#N)n1 1100509177 REDGUZFYDWGIJS-UHFFFAOYSA-N 300.326 -0.267 30 20 DBED CN(C[C@@H]1CCN(C(=O)CNC(N)=O)C1)c1ncccc1C#N 1102427907 LJYDPILSPNNLIW-NSHDSACASA-N 316.365 -0.094 30 20 DBED CCC(=O)NCC(=O)N(C)[C@H]1CCN(c2cnc(C#N)cn2)C1 1102702432 SGKANLVECCJUIK-LBPRGKRZSA-N 316.365 -0.088 30 20 DBED C[C@@H](CNC(=O)[C@@H]1COCCO1)CNc1ccc(C#N)nn1 1103878689 YHHXRWQUKSHVGA-PWSUYJOCSA-N 305.338 -0.072 30 20 DBED C[C@@H]1CN(C(=O)C(=O)NCC(F)F)C[C@H]1CCNCC#N 1104373274 HESAPXRTXDDDGP-NXEZZACHSA-N 302.325 -0.035 30 20 DBED C[C@H](CN=c1cc[nH]cc1C#N)N(C)C(=O)[C@H]1C[C@H]1C(N)=O 1104826929 KTHHADYHMQGADR-JLLWLGSASA-N 301.350 -0.245 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)[C@@H]1CC(=O)N(C)C1 1104843999 FRMFCBJZBMNREE-GHMZBOCLSA-N 316.365 -0.493 30 20 DBED N#CCNCc1cn(C2CN(C(=O)c3cnsn3)C2)nn1 1105171126 AEBUYVARMRYWIS-UHFFFAOYSA-N 304.339 -0.560 30 20 DBED C=CCNCc1cn(C2CN(C(=O)[C@H]3CCC(=O)NC3)C2)nn1 1105276202 BYUUGAPCFFLTGR-NSHDSACASA-N 318.381 -0.537 30 20 DBED CN(CCN(C)c1ccc(C#N)nn1)C(=O)Cn1nccn1 1105483262 GMAKEHUMKQNLSN-UHFFFAOYSA-N 300.326 -0.465 30 20 DBED Cc1cc(C(=O)NC[C@H](O)CN=c2cc[nH]c(C#N)n2)n[nH]1 1105727227 ITCFOUUBFUXJJC-SECBINFHSA-N 301.310 -0.996 30 20 DBED N#Cc1nc(=NC[C@H](O)CNC(=O)c2cscn2)cc[nH]1 1105747238 YQNRMUOGCAYERL-QMMMGPOBSA-N 304.335 -0.571 30 20 DBED CCO[C@@H](C)C(=O)NC[C@@H](O)CN=c1cc(C)[nH]cc1C#N 1105770100 VEEWWTXQGWTMNK-AAEUAGOBSA-N 306.366 -0.002 30 20 DBED N#Cc1cccnc1NC[C@@H](O)CNC(=O)[C@H]1CCNC(=O)C1 1105789905 ANZCWNITPSMXPO-CMPLNLGQSA-N 317.349 -0.632 30 20 DBED Cc1c[nH]cc1C(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1 1105851502 KFRQCFSUDXDURW-SNVBAGLBSA-N 300.322 -0.391 30 20 DBED C=CCO[C@H](C)C(=O)NC[C@@H](O)CNc1nccc(OC)n1 1105892506 YOXPYYRLECRVHP-GHMZBOCLSA-N 310.354 -0.035 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)[C@@H]2CCC(=O)N2)cn1 1105921695 HBZUXWQTLYVXNU-RYUDHWBXSA-N 303.322 -0.879 30 20 DBED CN(C)[C@@H](C(=O)NC[C@H](O)CN=c1cc[nH]cc1C#N)C1CC1 1105995878 XAGSCTSMECAAAB-UKRRQHHQSA-N 317.393 -0.396 30 20 DBED Cc1nc(NC[C@@H](O)CNC(=O)[C@H](C)CC(N)=O)ccc1C#N 1106060507 WNALCQOWZQWUQI-BXKDBHETSA-N 319.365 -0.338 30 20 DBED COC[C@@H](OC)C(=O)N[C@@H](C)CCN=c1cc[nH]c(C#N)n1 1106562927 XCUOGHSEAIKVSK-WDEREUQCSA-N 307.354 -0.262 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)CCCS(N)(=O)=O)C[C@H]1C 1106612164 NWFWNQKQCCXCGC-CHWSQXEVSA-N 315.439 -0.238 30 20 DBED C[C@@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)[C@H]1CCC(=O)NC1 1106635536 USKZDBKROAYKFJ-QWRGUYRKSA-N 316.365 -0.397 30 20 DBED C#CCNC[C@@H]1CN(C(=O)c2cnn3c(=O)cc[nH]c23)C[C@H]1C 1106739776 YSWVQFVQDJNTBU-VXGBXAGGSA-N 313.361 -0.047 30 20 DBED C[C@H](CNc1ccc(C#N)nn1)NC(=O)[C@@H](C)S(C)(=O)=O 1108194888 FHUPKGHZZSURNL-RKDXNWHRSA-N 311.367 -0.302 30 20 DBED C[C@@H](CNc1cnc(C#N)cn1)NC(=O)CCn1ccnn1 1108330419 WNHJZHHQJGSDPJ-JTQLQIEISA-N 300.326 -0.053 30 20 DBED C[C@@H](CNc1ccc(C#N)nc1)NC(=O)CN1C(=O)CNC1=O 1108373110 IYHXSIBCDWAKBV-VIFPVBQESA-N 316.321 -0.578 30 20 DBED C[C@@H](C(=O)NC[C@@]1(C)CN(CC#N)CCO1)N1CCOCC1 1108446922 NPYPDJWTOMVDKJ-ZFWWWQNUSA-N 310.398 -0.562 30 20 DBED C#CCOCCC(=O)N[C@@H]1CC(=O)N(C2CN(C(C)C)C2)C1 1108546132 OZRSNRAGYDVNSB-CYBMUJFWSA-N 307.394 -0.164 30 20 DBED C[C@@H](CNc1cncc(C#N)n1)NC(=O)C1CS(=O)(=O)C1 1108547582 KWRSZMJFFQORDJ-QMMMGPOBSA-N 309.351 -0.691 30 20 DBED C[C@@H](CN(C)c1cnc(C#N)cn1)NC(=O)CCn1cncn1 1108825966 PUMZYKVEXDRZON-NSHDSACASA-N 314.353 -0.029 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](CNc1ncccn1)C1CC1 1109815072 QZFBJSNIOXBWMD-GFCCVEGCSA-N 301.350 -0.077 30 20 DBED N#CCSCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCOCCO 1110300663 IQLRJYAZZRKKOP-UPJWGTAASA-N 313.423 -0.026 30 20 DBED CO[C@H](C)CC(=O)N(C)[C@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1111175832 WRFIRNWXMSFWSN-WXHSDQCUSA-N 319.365 -0.219 30 20 DBED COC(=O)NCC(=O)N(C)CCCN(C)c1cnc(C#N)cn1 1112034964 HSHRXMDBPSMMOC-UHFFFAOYSA-N 320.353 -0.011 30 20 DBED CNC(=O)CC(=O)N[C@H]1CCN(c2cncc(C#N)n2)[C@H](C)C1 1112469153 HHPDOROYFKGRBX-MNOVXSKESA-N 316.365 -0.042 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(c2cc(C)ncn2)C[C@H]1O 1112702929 WOSRTXDKVNIEBI-CHWSQXEVSA-N 306.366 -0.099 30 20 DBED Cc1cc(C#N)nc(N[C@@H](C)[C@@H](C)NC(=O)c2nnn(C)n2)n1 1113259370 SLNSOOPWEWVVME-BDAKNGLRSA-N 315.341 -0.201 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCN([C@H]2CCC(=O)NC2=O)CC1 1113713287 NVBKIZLPTUPJFT-RYUDHWBXSA-N 309.366 -0.473 30 20 DBED CNC(=O)CC(=O)N[C@H]1CN(c2nccnc2C#N)CC[C@H]1C 1114010766 FFIOBFICJLRLDE-PWSUYJOCSA-N 316.365 -0.185 30 20 DBED C[C@@H]1[C@H](C(=O)NC2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]23)CCN1C 1114298044 BIWMKFTYADBVNI-FDYHWXHSSA-N 319.409 -0.987 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)c3onc(C)c3C)[C@@H]2C1 1114447538 PWBFFGIJLLXNDC-VXGBXAGGSA-N 316.361 -0.299 30 20 DBED C[C@@H](CCCN=c1cc[nH]c(C#N)n1)NC(=O)[C@H]1COC(=O)N1 1114900092 GWWHBEYIUIGLSY-VHSXEESVSA-N 318.337 -0.425 30 20 DBED C=CCOCCN1C[C@H]2C(NC(=O)COCCN(C)C)[C@@H]2C1 1115126159 JDMOAYFFLODZBF-ZIAGYGMSSA-N 311.426 -0.186 30 20 DBED CCOCC(=O)NCCOCCN(C)c1cnc(C#N)cn1 1115175673 ZTFVJIHBCSUDAW-UHFFFAOYSA-N 307.354 -0.046 30 20 DBED C[C@@H](CN(C)C(=O)[C@H]1CN(C)CCO1)Nc1nccnc1C#N 1115664250 MCDHATAAMHOHKE-WCQYABFASA-N 318.381 -0.062 30 20 DBED C[C@@H](CN(C)C(=O)c1cnn(C)c1N)N=c1cc[nH]c(C#N)n1 1115717589 JBXGLRBSDJRHAT-VIFPVBQESA-N 314.353 -0.342 30 20 DBED CNC(=O)COc1cccc(CC(=O)NCC(=O)NCC#N)c1 1117509350 PBNATUODUYKQLK-UHFFFAOYSA-N 318.333 -0.890 30 20 DBED N#Cc1ccc2c(c1)N(C(=O)C(=O)NC[C@@H]1COCCN1)CC2 1118917305 JVPDMAPTFBBQAQ-CYBMUJFWSA-N 314.345 -0.448 30 20 DBED Cn1cc(C(=O)NC[C@@H](CO)Nc2ccc(C#N)nc2)nn1 1121432361 LWLGVSILGVJAAT-NSHDSACASA-N 301.310 -0.715 30 20 DBED Cn1ccc(C(=O)NC[C@H](CO)N=c2cc[nH]cc2C#N)n1 1121580111 FYTHCCIREUGJLC-LLVKDONJSA-N 300.322 -0.689 30 20 DBED C#CCOCCC(=O)NC[C@H](CO)Nc1ncnc2[nH]cnc12 1122027206 GOAARMWWTPUGBK-SNVBAGLBSA-N 318.337 -0.718 30 20 DBED CC[C@@H](NC(C)=O)C(=O)NC[C@H](CO)Nc1nccnc1C#N 1122643424 CHCSXVCWCQQVKS-GHMZBOCLSA-N 320.353 -0.848 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)CCn2cncn2)C1=O 1123671550 URTCHDKZVKWJNK-LBPRGKRZSA-N 306.370 -0.839 30 20 DBED C=C(C)CN(CC)C(=O)CNCCNC(=O)CNC(=O)C1CC1 1124088819 LRIDEMXTOUZEIW-UHFFFAOYSA-N 324.425 -0.357 30 20 DBED COCCCNC(=O)CNCCNC(=O)c1ccc(C#N)[nH]1 1125776557 RODMRLLWJGXGAA-UHFFFAOYSA-N 307.354 -0.642 30 20 DBED C#CCOCCC(=O)NCCNCC[C@@H]1CCS(=O)(=O)C1 1127031879 KZZJUDNHQXAFFI-CYBMUJFWSA-N 316.423 -0.443 30 20 DBED N#CCN1CCn2ncc(CNC(=O)CN3CCCC3)c2C1 1128580571 DJUBIINLULHICE-UHFFFAOYSA-N 302.382 -0.066 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)CSCC#N)CC1 1131329349 BUAYWCUNKOYBNY-UHFFFAOYSA-N 308.407 -0.473 30 20 DBED N#CCSCC(=O)N1CCC(=O)NCCN(CC#N)CC1 1131329934 NIMPLAHPBSGRTG-UHFFFAOYSA-N 309.395 -0.583 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](C)O[C@@]2(CCN(CC)C2)C1 1131653503 SUZODCRGCIIPAX-CZUORRHYSA-N 307.394 -0.162 30 20 DBED C#CCN1CC[C@]2(C1)CN(C(=O)CCCC(N)=O)C[C@H](C)O2 1131704324 VNNRDZWTRABXLZ-BBRMVZONSA-N 307.394 -0.033 30 20 DBED C=CCOCC(=O)N1CCC[C@H](N2CCN(CC#N)CC2=O)C1 1131708668 ACKPZCYOIUVKCW-AWEZNQCLSA-N 320.393 -0.152 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2cn[nH]c2)CC[C@H]1C 1131825532 JWPBCNFYPNHXFM-YPMHNXCESA-N 303.366 -0.258 30 20 DBED C[C@H]1CC[C@H](NC(=O)CCn2ncn(C)c2=O)CN1CC#N 1132198791 BLZDPTAAPKIOQL-RYUDHWBXSA-N 306.370 -0.535 30 20 DBED COCC#CCN1C[C@H](NC(=O)Cn2cncn2)CC[C@@H]1C 1132464332 QZWXGMDXZFJHRF-UONOGXRCSA-N 305.382 -0.103 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)CNC(C)=O)CC[C@H]1C 1132602328 DHHDTASXDRGHGI-UKRRQHHQSA-N 309.410 -0.154 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)c1cc(=O)n(C)o1 1134219170 JRUSLHGOQNXIBZ-GHMZBOCLSA-N 322.365 -0.786 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCN[C@H](C)C(=O)NC(N)=O 1135145458 IYCUIIABXDOOPH-VWYCJHECSA-N 312.370 -0.743 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@](C)(NC(C)=O)C1CC1 1147459053 NKNIPSFBXVJVNT-MEDUHNTESA-N 322.409 -0.865 30 20 DBED COCC#CCN1CCC2(C1)CN(C(=O)[C@@H]1CC[C@@H]1C(N)=O)C2 1148046259 XBKCTYNMIAYHAJ-UONOGXRCSA-N 319.405 -0.318 30 20 DBED CNC(=O)CN1CCCO[C@H](CNC(=O)C#CC(C)(C)C)C1 1149686980 KDEYQTIMUZKARD-CYBMUJFWSA-N 309.410 -0.011 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCCNCCOCCOC 1160198287 ZGZZYMYBDCSFAI-HNNXBMFYSA-N 311.426 -0.157 30 20 DBED C#CCN1CC=C(CCNC(=O)C[C@H](NC(C)=O)C(N)=O)CC1 1161417850 ZKAYXAAYSDVUEN-AWEZNQCLSA-N 320.393 -0.862 30 20 DBED N#CCNC(=O)CNCCCNC(=O)Cc1ccc(O)nc1 1162757907 IOSXYXFSGKRMGX-UHFFFAOYSA-N 305.338 -0.935 30 20 DBED C#CCNC(=O)CNCC1(CCNC(=O)C[C@](C)(O)C=C)CC1 1164303945 WRFSMTACNSNVKF-MRXNPFEDSA-N 321.421 -0.061 30 20 DBED C=CCNC(=O)CNCCCNC(=O)C(=O)N1CCC[C@H](C)C1 1167736786 LHDDKWJCVIRYAH-ZDUSSCGKSA-N 324.425 -0.357 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1nnn(C(C)C)c1C 1169559300 JXUMXYDZRDYTKH-UHFFFAOYSA-N 320.397 -0.374 30 20 DBED C#CCNC(=O)CNCCCNC(=O)CCCN1CCCC1 1176884699 PEBQZYBJXOAXDV-UHFFFAOYSA-N 308.426 -0.292 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)Cc2ccn(C)n2)[C@H]1C 1178663243 SPAXUYLQQWSQFT-JSGCOSHPSA-N 319.409 -0.156 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2cccnc2C)C1 1185238658 OILNXEDFNVNHDU-CYBMUJFWSA-N 300.362 -0.056 30 20 DBED N#CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3cocn3)[C@@H]2C1 1187281052 QJAUSABKFUVFPD-CMPLNLGQSA-N 303.322 -0.539 30 20 DBED COCC#CCN1C[C@@H]2CCN(C(=O)[C@H](C)NC(N)=O)[C@@H]2C1 1187690474 JQWLGZRGQULTIV-RWMBFGLXSA-N 308.382 -0.774 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC[C@@H](NCCS(C)(=O)=O)C1 1188310117 OQGFPSWMRKLGCI-NWDGAFQWSA-N 304.412 -0.187 30 20 DBED COCC#CCN(C)[C@H]1CCN(C(=O)[C@@H]2CCC(=O)NC2)C1 1191092332 WCTYYLUASNVPGE-KGLIPLIRSA-N 307.394 -0.305 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)CCC2CCC2)C1 1192096346 CVCPVYNXPKFTEK-NWANDNLSSA-N 321.421 -0.134 30 20 DBED CN(CC#N)[C@@H]1CCN(C(=O)CCC(=O)N2CCOCC2)C1 1193878618 PRHMPKUIQGJLER-CYBMUJFWSA-N 308.382 -0.318 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)CCc2ccon2)C1 1194688694 WQOPTVXKRKBCGH-ZIAGYGMSSA-N 307.350 -0.582 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCCN(C(=O)[C@@H]2CCCN2C)CC1 1195267442 JYMKQRHUTYBHOT-CABCVRRESA-N 320.437 -0.247 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)[C@H](CCCC)NC(N)=O)C1 1199345723 OZZTXPVRCUSJDK-YNEHKIRRSA-N 312.414 -0.049 30 20 DBED N#CCNC(=O)CNC[C@@H]1CN(C(=O)c2cnco2)CCCO1 1201097377 QBSBSGBRHVUWSE-LLVKDONJSA-N 321.337 -0.865 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C[C@H](O)Cn2cccn2)C[C@H]1C 1206586237 SKCLDJOMBQCECM-QLFBSQMISA-N 322.409 -0.117 30 20 DBED N#CCNC(=O)CN[C@H]1CCCN(C(=O)C2=CCOCC2)C1 1207881589 ZSBFXJOEHHOUTO-ZDUSSCGKSA-N 306.366 -0.447 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCCN(C(=O)c2ncc[nH]2)C1 1207995488 JIQHTDOQRXGWNP-NEPJUHHUSA-N 303.366 -0.258 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)c2cnon2)[C@H](C)C1 1209648790 GVJRITPGBOTKDA-JFGNBEQYSA-N 307.354 -0.190 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2nonc2C)C[C@H]1OC 1212256366 XXEJSMYHSFOORM-MRVWCRGKSA-N 322.365 -0.268 30 20 DBED Cc1ncncc1C(=O)N1C[C@@H](NCC(=O)NCC#N)[C@H](C)C1 1214204390 CDDWOBJSBPMHRV-ZWNOBZJWSA-N 316.365 -0.525 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](N[C@H](C)C(=O)NC(N)=O)[C@H](C)C1 1214578467 PNMHGUMBPYYHNW-IJLUTSLNSA-N 308.382 -0.334 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)c2cc3n(n2)CCO3)C[C@H]1C 1214864930 OVSSGELMWYSUAF-TZMCWYRMSA-N 318.377 -0.025 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)COC(C)C)C1 1219315000 PPHZNXVHEYEIQZ-UPJWGTAASA-N 313.398 -0.737 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)[C@H]2CO[C@H](C)C2)CC1 1228066590 XEZRHAHUSKUSRD-CHWSQXEVSA-N 307.394 -0.259 30 20 DBED C=CCNC(=O)[C@H](C)N1CCC(NC(=O)c2[nH]nnc2C)CC1 1228559729 FCTDBUIJLYRJNW-NSHDSACASA-N 320.397 -0.002 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)c2ccnc(C)n2)CC1 1230275804 XTLICTFTCWCIFE-UHFFFAOYSA-N 315.377 -0.271 30 20 DBED Cc1cc(C(=O)N(C)C[C@@H]2CCN2CC(=O)NCC#N)on1 1230742024 CYMLJDKLSVDBRX-NSHDSACASA-N 305.338 -0.231 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)C(=O)C(C)(C)C 1231322239 OPZFGCWBFQAQCM-GFCCVEGCSA-N 307.394 -0.116 30 20 DBED C#CCCCC(=O)N(C)C[C@@H]1CCN1[C@@H](C)C(=O)NC(N)=O 1233946633 BYLREGFPAKEGCM-RYUDHWBXSA-N 308.382 -0.094 30 20 DBED C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1CCO[C@H](C#N)C1 1257058659 BWCJBRCHUADURH-QWHCGFSZSA-N 308.382 -0.272 30 20 DBED Cc1noc(C)c1CC(=O)NCC[C@H](C)NCC(=O)NCC#N 1266189137 MSIQTKFSGLCZEN-JTQLQIEISA-N 321.381 -0.042 30 20 DBED C#CCNC(=O)CN1CCC[C@H](NC(=O)c2[nH]cnc2C)C1 1317995257 NGGWVCYKKVQHPM-LBPRGKRZSA-N 303.366 -0.338 30 20 DBED CN(C(=O)C(=O)Nc1ccc(OCC#N)cc1)[C@@H]1CCNC1=O 1320727951 GSZHVMJCICHGFP-GFCCVEGCSA-N 316.317 -0.126 30 20 DBED C#CCNC(=O)C1CCN(C(=O)[C@@H]2CCN(C)C(=O)C2)CC1 1321774654 KSMMJYNRWDTKJQ-CYBMUJFWSA-N 305.378 -0.157 30 20 DBED CC(C)N1C[C@H](NC(=O)C(=O)N2CC[C@@](F)(C#N)C2)CC1=O 1322814359 QBODVAVUOOMTAA-QMTHXVAHSA-N 310.329 -0.424 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@@H]1C[C@H](OCC)[C@H]1OC)[C@H]1CCCO1 1324239054 PBTPRINTJDDRAN-ZSLBOAEBSA-N 324.377 -0.408 30 20 DBED C#CCOCCN(C)[C@H](C)C(=O)N[C@@H]1CCS(=O)(=O)C1 1324516460 OLSNKIDDNUMWSG-VXGBXAGGSA-N 302.396 -0.740 30 20 DBED C#C[C@@H](NC(=O)C(=O)N(C)CC(=O)N1CCCC1)[C@H]1CCCO1 1328077634 XMZUHFSCECKPKS-CHWSQXEVSA-N 321.377 -0.636 30 20 DBED C=CCn1cc(CNC(=O)NCCc2nnc(S)n2C)nn1 1330703995 KSVHMRZAZPZWDD-UHFFFAOYSA-N 322.398 -0.077 30 20 DBED CO[C@@H](C)CNC(=O)C(=O)NCCNc1ccc(C#N)cn1 1331074414 YOYBTAMGOVCEAD-JTQLQIEISA-N 305.338 -0.368 30 20 DBED CN(CC(C)(C)C#N)C(=O)C(=O)N1CC[C@@H]2COC(=O)N[C@H]2C1 1332391376 NGKSTHGUWBHDTM-MNOVXSKESA-N 322.365 -0.049 30 20 DBED C#Cc1ccc(C(=O)NN2C(=O)[C@H]3[C@H]4C=C[C@@H](O4)[C@@H]3C2=O)nc1 1336035071 RFZXJZYLGQYNGS-NDBYEHHHSA-N 309.281 -0.354 30 20 DBED CCN1CCC[C@H](NC(=O)C(=O)N2CCC[C@H](C#N)C2)C1=O 1336250153 OEZKYTSSBARCOP-NEPJUHHUSA-N 306.366 -0.124 30 20 DBED Cc1csc(CCNC(=O)C(=O)N2CCO[C@H](C#N)C2)n1 1345103868 NHEGHPXPXINFJM-SNVBAGLBSA-N 308.363 -0.139 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N[C@H]1CCN(CCOC)C1 1346152593 MEPMZTXXRVKRFK-AWEZNQCLSA-N 305.378 -0.692 30 20 DBED C#CCN(CC)c1nnc(-c2cn(CCO)nn2)n1CCOC 1355834525 UVDNRENWYUUPER-UHFFFAOYSA-N 319.369 -0.365 30 20 DBED COCC(=O)N(C)CC(=O)N1CCC(C#N)(C(=O)OC)CC1 1361439016 SGDFKPVYHBMXKL-UHFFFAOYSA-N 311.338 -0.603 30 20 DBED CN(Cc1nnc2n1CCNC2=O)C(=O)c1cnccc1C#N 1364825958 PDTYEWNYLWMTJK-UHFFFAOYSA-N 311.305 -0.440 30 20 DBED COC[C@H](O)CN1C[C@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2C1 1368355554 BIWJOGOAXOOYBB-HZSPNIEDSA-N 318.377 -0.103 30 20 DBED CC(=O)NCC(=O)N1CCCC2(C1)CN(C(=O)[C@@H](C)C#N)C2 1383441714 XVDCNVWSNWAKIZ-NSHDSACASA-N 306.366 -0.267 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)[C@@H]2CCCN(C(N)=O)C2)CC1 1400646267 ABYZTRANJCGXCF-GHMZBOCLSA-N 321.381 -0.298 30 20 DBED COCc1noc(CN2CC(O)(CNC(=O)[C@H](C)C#N)C2)n1 1402327271 ZLTRZCJMNNOMKH-SECBINFHSA-N 309.326 -0.961 30 20 DBED C=C(Cl)CNCC1(O)CCN(C(=O)[C@H]2COC(=O)N2)CC1 1408148475 VYBUUZOYWDAVLK-SNVBAGLBSA-N 317.773 -0.210 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CN(C)C(=O)C1(F)CCOCC1 1413284140 YOSLJQRHRYAMKO-QWRGUYRKSA-N 315.345 -0.400 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)[C@H]2CCCN(C(N)=O)C2)CC1 1432230487 DFDVTVBLBWBNNF-QWRGUYRKSA-N 321.381 -0.298 30 20 DBED C[C@H](C#N)C(=O)N1CC(CNC(=O)C[C@H]2CCCC(=O)N2)C1 1432462395 NVKLDTCYBPEEIA-ZYHUDNBSSA-N 306.366 -0.221 30 20 DBED COCC(=O)N(C)CC(=O)N[C@@]1(C)CCN(C(=O)[C@@H](C)C#N)C1 1432562518 NYFXREUMQKXECA-NHYWBVRUSA-N 324.381 -0.642 30 20 DBED N#C[C@@H]1CSCCN1C(=O)c1cn(C[C@H]2CNC(=O)O2)nn1 1435720700 XZUMSONZBUJWIY-RKDXNWHRSA-N 322.350 -0.532 30 20 DBED C=C(Cl)CNC[C@@H](O)CNC(=O)[C@@H]1CCCS1(=O)=O 1439064604 WXLXUPAMNYKUNP-ZJUUUORDSA-N 310.803 -0.617 30 20 DBED C[C@@H](CNC(=O)c1cccn2nnnc12)NC(=O)[C@H](C)C#N 1452966993 BDSIDPAQSGNUGB-BDAKNGLRSA-N 301.310 -0.482 30 20 DBED COCCn1cc(C(=O)N2CC(NC(=O)[C@H](C)C#N)C2)cn1 1456390431 FMIXZKIEXVEYAN-SNVBAGLBSA-N 305.338 -0.370 30 20 DBED CC(=O)NCC(C)(C)C(=O)NCC1CN(C(=O)[C@@H](C)C#N)C1 1456531502 NALUNAWZWNERSQ-JTQLQIEISA-N 308.382 -0.117 30 20 DBED CCc1nnc(N2CCO[C@@H](C#N)C2)n1CCS(C)(=O)=O 1460489450 JBQQXBIULDNZIL-JTQLQIEISA-N 313.383 -0.386 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N1CC[C@H](CS(N)(=O)=O)C1 1464699101 LNHFJZSXIOEXCY-UWVGGRQHSA-N 324.428 -0.924 30 20 DBED C[C@H]1CN(C(=O)CN(C)CCN(C)C(=O)[C@H](C)C#N)CCO1 1482586704 PQDKCJXLLOCYEP-OLZOCXBDSA-N 310.398 -0.216 30 20 DBED N#CCNC(=O)CN[C@H]1CCN(C(=O)c2ncccc2F)C1 1491758812 AIURYMXMQRHPIQ-JTQLQIEISA-N 305.313 -0.335 30 20 DBED C#Cc1ccc(NC(=O)C(=O)N2C[C@@H](CO)[C@@H](CO)C2)cc1 1516453978 SPGSXRZZHDXOMU-BETUJISGSA-N 302.330 -0.334 30 20 DBED CC(C)[C@H](CNC(=O)CN1CCOCC1=O)NC(=O)[C@@H](C)C#N 1532767679 YBUJSUMMKXHEPA-RYUDHWBXSA-N 324.381 -0.738 30 20 DBED CC(C)N1CCC(C(=O)NC[C@@H](O)CNC(=O)[C@@H](C)C#N)CC1 1533320272 KBRXIXUOKSUNSM-JSGCOSHPSA-N 324.425 -0.140 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CCN(c2cncc(-c3nn[nH]n3)n2)C1 1573578166 ZGGBIXPCKXDNPF-BDAKNGLRSA-N 313.325 -0.489 30 20 DBED C[C@@H](C(=O)N1CCO[C@](C)(C#N)C1)n1cnc(-c2nn[nH]n2)n1 1573642910 RBRSYPVVVHZTFQ-QPUJVOFHSA-N 317.313 -0.840 30 20 DBED CNC[C@@H](O)[C@@H](C)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 1578640186 GDCDKGLMOOJVDU-TZMCWYRMSA-N 317.393 -0.182 30 20 DBED C#CCO[C@H](C)C(=O)NCCN(C)c1ncc(C(=O)O)cn1 1588490645 SSWZWAMQBWNLCY-SNVBAGLBSA-N 306.322 -0.235 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NC[C@H]1C[C@H]1C(=O)O 1588536024 TVLRRKPBGCKEAM-KKOKHZNYSA-N 310.350 -0.079 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1C[C@@H](C)O[C@@H](C(=O)O)C1 1588692696 HXGMUZULOGEVIO-OPRDCNLKSA-N 300.311 -0.996 30 20 DBED CC#CCn1cc(CN2CCOCC2)cc(-c2nn[nH]n2)c1=O 1588752875 WLDBUXXRBIXNQE-UHFFFAOYSA-N 314.349 -0.116 30 20 DBED CO[C@H](Cn1c(N)nc(-c2nn[nH]n2)c1C#N)[C@@H]1CCOC1 1591333149 JEXXZQWFEOLQBZ-VXNVDRBHSA-N 304.314 -0.431 30 20 DBED N#CCC(=O)N1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 1592671619 KVNBFAJAGOOPIZ-UHFFFAOYSA-N 314.309 -0.607 30 20 DBED COC(=O)[C@@H](CCC(=O)O)NS(=O)(=O)N(C)[C@H](C)CC#N 1598894182 ZGDUSNPONRKCDH-RKDXNWHRSA-N 321.355 -0.539 30 20 DBED N#Cc1ccc(S(=O)(=O)N2CCNC(=O)C2)c(C(=O)O)c1 1601112468 YJTZEXZHFGSQGJ-UHFFFAOYSA-N 309.303 -0.623 30 20 DBED N#Cc1cccnc1NCCN(CCO)C(=O)[C@H]1C[C@@H]1C(=O)O 1601128065 GMULXMKNNHSZJX-RYUDHWBXSA-N 318.333 -0.093 30 20 DBED C#CC[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)CC)C1)C(=O)O 1602685541 WXFUSKPZHQGMMV-QWRGUYRKSA-N 316.379 -0.359 30 20 DBED C[C@H](C(=O)N[C@H](C[C@@H]1CCCO1)C(=O)O)n1cnc(C#N)n1 1603156327 SXJAMZDBGVUXJW-KXUCPTDWSA-N 307.310 -0.151 30 20 DBED COC(=O)CCN(CC#N)C(=O)c1cc(-c2nn[nH]n2)ccn1 1604938239 OFNUOSLCRTZJOG-UHFFFAOYSA-N 315.293 -0.209 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@H](NC(=O)C2CCN(C)CC2)C1 1715001104 XOUYAALRLWYPIB-ZFWWWQNUSA-N 320.437 -0.343 30 20 DBED C#CCCN1CCN(CCCNC(=O)[C@@H]2CCN(C)C2=O)CC1 1752352185 KHZYAMLTLAUZTP-HNNXBMFYSA-N 320.437 -0.388 30 20 DBED CCc1oncc1C(=O)NC[C@H](NCC(=O)NCC#N)C1CC1 1752515748 POCXLLNQTCGIGG-LBPRGKRZSA-N 319.365 -0.025 30 20 DBED C#CCN1CCC[C@@H]([C@H](C)NC(=O)Cn2ccc(O)nc2=O)C1 1752837143 RDIICRZLGJUERF-QWHCGFSZSA-N 318.377 -0.201 30 20 DBED C[C@H](C(=O)NC(N)=O)N(CCNC(=O)C#CC1CC1)C1CC1 1753152571 BFXHMQKMHQIRRK-SNVBAGLBSA-N 306.366 -0.436 30 20 DBED C=CCN1CCN(CCN(C)C(=O)C2(C(=O)NC)CC2)CC1 1753344397 DEOKYKBNRAVLDG-UHFFFAOYSA-N 308.426 -0.225 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CN(CC(=O)NCC#N)C1 1753412036 GJUKQCFRLIMKSW-ZFWWWQNUSA-N 320.393 -0.345 30 20 DBED COCC#CCN1CC(CNC(=O)[C@H]2CCCCN2C(N)=O)C1 1753413783 PDKJUUZYGIXXPW-CQSZACIVSA-N 322.409 -0.383 30 20 DBED CCO[C@H](C(=O)N(C)[C@H]1CCN(CC(=O)NCC#N)C1)C1CC1 1753438095 RVRIAXVJVSLFPX-ZFWWWQNUSA-N 322.409 -0.026 30 20 DBED COc1ccc(C(=O)NC/C=C\CNCC(=O)NCC#N)o1 1754186860 JGWMTMLECTYJGN-IHWYPQMZSA-N 306.322 -0.196 30 20 DBED C#CCNC(=O)CN(C)C[C@@H](C)NC(=O)c1cnn(CC)n1 1754307718 IBIFHHCGQNZGTF-LLVKDONJSA-N 306.370 -0.903 30 20 DBED C=CCNC(=O)CN1CC[C@H]1CNC(=O)c1ccnc(C)n1 1754502346 GCXQJPNNTORZSN-LBPRGKRZSA-N 303.366 -0.109 30 20 DBED C#CCNC(=O)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc[nH]n1 1754541661 OMHLDXQPNDNJHY-OLZOCXBDSA-N 315.377 -0.162 30 20 DBED C#CCN(C(=O)CC)C1CCN([C@@H](C)C(=O)NC(N)=O)CC1 1754632599 WXTNAJVBTPMTCE-NSHDSACASA-N 308.382 -0.094 30 20 DBED C#CCCN1CC(O)(CNC(=O)c2cnn3cc(C)cnc23)C1 1754775335 OQBHJRHJPGIWFE-UHFFFAOYSA-N 313.361 -0.162 30 20 DBED C#CCNC(=O)[C@H](C)NCCN(CCO)C(=O)[C@@H]1CCC1(C)C 1754889592 URULBLAVHQYSHA-KBPBESRZSA-N 323.437 -0.029 30 20 DBED C=CCNC[C@H]1CN(C(=O)c2cnc3c(c2)nnn3C)CCO1 1755004449 BIMGJSKROBVICA-LBPRGKRZSA-N 316.365 -0.020 30 20 DBED N#CCNC[C@H]1CN(C(=O)CN2CCCCCC2=O)CCO1 1755015399 DVDRPKVRIRVGHF-ZDUSSCGKSA-N 308.382 -0.270 30 20 DBED C#CCN1CC(CCO)(NC(=O)c2cccc(NC(N)=O)c2)C1 1755338193 LJNIZPNGHMLDKS-UHFFFAOYSA-N 316.361 -0.023 30 20 DBED C#CCNC(=O)CN[C@@H](C)CN(C)C(=O)Cn1nccc1C 1755605912 GYSFRIPZCCACGY-LBPRGKRZSA-N 305.382 -0.623 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H](CO)CNC(=O)Cc1ccc(C)o1 1755625634 OPQCKMZWMHKRHI-OLZOCXBDSA-N 321.377 -0.665 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@H](CO)CNC(=O)c1ncccn1 1756545191 MXODDACOFPCGOW-IINYFYTJSA-N 308.338 -0.989 30 20 DBED C#CCCCC(=O)N1CC[C@@H](NC(=O)Cn2ncnn2)[C@@H]1C 1756562100 QYJMHGUAZVYACY-NWDGAFQWSA-N 304.354 -0.418 30 20 DBED CC(C)C#CC(=O)N(C)C[C@H](O)CNC(=O)c1cc(=O)n(C)o1 1756663914 ZUGLTSRIJPSRCM-LLVKDONJSA-N 323.349 -0.813 30 20 DBED C=C(C)CCC(=O)NC[C@H](O)CN(C)C(=O)C(C)(C)C(N)=O 1756666621 COULHRXHJZRYTD-NSHDSACASA-N 313.398 -0.210 30 20 DBED N#Cc1ccc(CNC(=O)CN2C[C@@H](CO)[C@@H](CO)C2)cc1 1771864673 VTNUQDGBJYWYOZ-GASCZTMLSA-N 303.362 -0.293 30 20 DBED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CC)NC 1795727737 OSJGDQNBANYAJE-FQLMCAECSA-N 321.421 -0.013 30 20 DBED O=C(Cn1nccn1)N1CC2(CCCN2C(=O)C#CC2CC2)C1 1841542480 ZEYBPJAMXPWPTB-UHFFFAOYSA-N 313.361 -0.105 30 20 DBED Cn1ccc(C(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)c1 1846194930 HCOKFXXVCBBEIG-UHFFFAOYSA-N 315.329 -0.070 30 20 DBED C#CCCCC(=O)N1CC2(CCCN2C(=O)CNC(N)=O)C1 1847108949 ZLPVVSAFLIVPEQ-UHFFFAOYSA-N 306.366 -0.338 30 20 DBED CNC(=O)CNC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 25269116 LMKRDRFERHHIBL-UHFFFAOYSA-N 324.362 -0.959 30 20 DBED COCCNC(=O)CN1CCN(c2cc(C#N)ccn2)CC1 43533572 YZKIYAHORIJIPQ-UHFFFAOYSA-N 303.366 -0.162 30 20 DBED CCc1nn(C)cc1CNc1c(C#N)c(=O)n(C)c(=O)n1C 92959476 SICRNUNCFJWQPJ-UHFFFAOYSA-N 302.338 -0.136 30 20 DBED N#CCCN(CCN1CCOCC1)C(=O)[C@H]1CCNC(=O)C1 151631083 GUHWZDDINCFWDW-ZDUSSCGKSA-N 308.382 -0.413 30 20 DBED C=CCCOCCNC(=O)C(=O)N[C@@H](C)CN1CCOCC1 284164965 WRZQLBHWYHQMJQ-ZDUSSCGKSA-N 313.398 -0.468 30 20 DBED Cn1ncc(CCCNS(=O)(=O)c2cccnc2C#N)n1 293050175 KMBIXRPYCQULCT-UHFFFAOYSA-N 306.351 -0.007 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCCCn2ccnc2)C1=O 299470910 AGWSYYFNTKZDSH-UHFFFAOYSA-N 319.321 -0.634 30 20 DBED C[C@@H](/C(O)=N/CCC(=O)N1CCN(C)CC1)N1CCOCC1 328879807 VKSACUJEYXMQMJ-ZDUSSCGKSA-N 312.414 -0.172 30 20 DBED N#Cc1ccc(NCC(=O)N2CCN3C(=O)N=C(O)[C@@H]3C2)nc1 329416524 FTCPBNSBFKWLIS-JTQLQIEISA-N 314.305 -0.032 30 20 DBED CCN(CCC#N)S(=O)(=O)N[C@@H]1CS(=O)(=O)C[C@H]1C 341959181 QJIWEECCVZGPPR-NXEZZACHSA-N 309.413 -0.511 30 20 DBED CCS(=O)(=O)N1CCN(S(=O)(=O)CCCC#N)[C@H](C)C1 344888221 JMQBSFXSNOGDQK-LLVKDONJSA-N 323.440 -0.024 30 20 DBED COC(=O)[C@H]1CNC(=O)CN1C(=O)Cc1ccc(C#N)cc1 344898457 LQDSEMBFMWWDEK-GFCCVEGCSA-N 301.302 -0.399 30 20 DBED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC3CC3)CC2)c1C#N 349464668 LLLDLFFDXQDEGE-UHFFFAOYSA-N 316.365 -0.473 30 20 DBED C=CCNC(=O)NC(=O)CN1CCN(c2ncc(F)cn2)CC1 354024723 SWIGKGCHTBUCQB-UHFFFAOYSA-N 322.344 -0.251 30 20 DBED C=CCSCCNC(=O)C(=O)N(C)CCNC(=O)N(C)C 355284502 BAWMIMBTQDWAIU-UHFFFAOYSA-N 316.427 -0.249 30 20 DBED N#Cc1c(F)cccc1-n1ccc(NC(=O)NC[C@H](O)CO)n1 359039461 NHYUABFRGLOHIC-VIFPVBQESA-N 319.296 0.358 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC3(CCO3)CC2)C1=O 367244874 UGGVOAWTNYWBPU-UHFFFAOYSA-N 321.333 -0.255 30 20 DBED C=CCN1CC[C@H](N2CCC[C@H](n3cnc(C(N)=O)n3)C2)C1=O 375613323 NIOUIPMGIPEYPR-RYUDHWBXSA-N 318.381 -0.199 30 20 DBED C#CCNC(=O)CCNCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 491383910 MXXHWTWFGTYUQH-DDHJSBNISA-N 315.373 -0.477 30 20 DBED C[C@H](C#N)CNC(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1 518421264 RISHVLVONSHFGB-ZIAGYGMSSA-N 322.409 -0.024 30 20 DBED N#C[C@H]1CC[C@@H](NC(=O)c2nc(N)nc(N3CCOCC3)n2)C1 567173140 NWXITFBFCCLSMI-VHSXEESVSA-N 317.353 -0.288 30 20 DBED CC1(C)C[C@]1(C#N)NC(=O)c1nc(N)nc(N2CCOCC2)n1 579364008 PESLGTHBDVRDJL-CQSZACIVSA-N 317.353 -0.288 30 20 DBED CC(C)Oc1cc(NC(=O)C(=O)NCC(=O)NCC#N)ccn1 588719047 VUQUMHOSUAAYJP-UHFFFAOYSA-N 319.321 -0.437 30 20 DBED N#Cc1ccc(NCC(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)nc1 599937711 IMAFPYZQASJISW-UONOGXRCSA-N 315.377 0.033 30 20 DBED CCOC(=O)[C@@H](CO)NC[C@@H](O)COc1ccccc1C#N 600737670 ICOMUARAPGXEKF-CHWSQXEVSA-N 308.334 -0.188 30 20 DBED O=C(NCC#Cc1ccccc1)C(=O)N1CCO[C@H](C(=O)O)C1 643152863 PRCOLBPXUQUUHM-ZDUSSCGKSA-N 316.313 -0.534 30 20 DBED C=CCn1cc(CNC(=O)[C@H]2CCCN2S(C)(=O)=O)nn1 644785585 SBVYIEVJXBQZSS-LLVKDONJSA-N 313.383 -0.496 30 20 DBED C#CCCS(=O)(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 711064886 GOCVNMUSSUOYMG-GFCCVEGCSA-N 300.380 -0.337 30 20 DBED CC#CC[C@@H](CO)NS(=O)(=O)c1scnc1C(=O)O 717777003 WCRQZXCCYGOHGY-ZETCQYMHSA-N 304.349 -0.106 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)CCCNC(=O)O)CC1 736080902 ZYSMSVPTJWLJLJ-UHFFFAOYSA-N 324.381 -0.682 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)CNC(=O)c1ccccn1 740329082 BMPDRSRQLMROBZ-UHFFFAOYSA-N 320.305 -0.634 30 20 DBED C#CCNC(=O)COC(=O)c1cnc2c(c1)c(C)nn2CCO 749408980 NHEKSYJKTOYRLY-UHFFFAOYSA-N 316.317 -0.362 30 20 DBED C#CCSCCNC(=O)N(C)C[C@H](O)CN1CCOCC1 751799019 QQNJKJDKZILBMZ-ZDUSSCGKSA-N 315.439 -0.313 30 20 DBED CC[C@@H](C)C=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 755805117 RGZVSOAOSZAVKA-MRVPVSSYSA-N 302.356 -0.606 30 20 DBED N#Cc1ccc(NCCNC(=O)[C@@H]2CN3CCCN2CC3)nc1 763726191 YVNMLYGPEOOKRP-AWEZNQCLSA-N 314.393 -0.129 30 20 DBED C#C[C@@H](C)NC(=O)C(=O)Nc1ccc(S(=O)(=O)NC)cc1 784849598 IUNQZGHXISXRNX-SECBINFHSA-N 309.347 -0.329 30 20 DBED C#CCNC(=O)N1CCC(C(=O)OCC)(S(C)(=O)=O)CC1 794805354 VHAJBEMFSHWDJG-UHFFFAOYSA-N 316.379 -0.229 30 20 DBED C#CCN1CCN(C(=O)CNC(C)(C)C(=O)N2CCCC2)CC1 796583048 RVINJEUFPSSDQS-UHFFFAOYSA-N 320.437 -0.246 30 20 DBED C#CCC[C@H](O)CNS(=O)(=O)N1CCC(C(=O)OC)CC1 798486994 KNKGHJIMFNLBRX-LBPRGKRZSA-N 318.395 -0.520 30 20 DBED C#CCC[C@H](O)CNC(=O)c1cccc(CS(N)(=O)=O)c1 799074685 MZGUFCZYOQARCL-ZDUSSCGKSA-N 310.375 -0.021 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)OCc2cnc(C)nc2)C1=O 803331244 WIRVULMVCBELPH-UHFFFAOYSA-N 318.289 -0.195 30 20 DBED C#C[C@@H](NC(=O)C(=O)N(C)Cc1nccn1C)[C@H]1CCCO1 809304654 NTNDMJOBBHYLSB-VXGBXAGGSA-N 304.350 -0.325 30 20 DBED C#CCN1CCN(C(=O)c2ncccc2S(C)(=O)=O)CC1 825280108 SHZATSIQVZEFKK-UHFFFAOYSA-N 307.375 -0.124 30 20 DBED C=CCNC(=O)COC(=O)C1(O)CN(C(=O)OC(C)(C)C)C1 848782366 QOPOOIFNJKHLQO-UHFFFAOYSA-N 314.338 -0.186 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@@H](OCC)C2CC2)CC1 859179339 LSEOUXSSXMPLCB-HNNXBMFYSA-N 307.394 -0.305 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)NCC1([S@](C)=O)CC1 875382330 ASFBVWZHLKRMBY-MQJDWESPSA-N 314.407 -0.442 30 20 DBED CNS(=O)(=O)N1CCN(C(=O)c2ccsc2C#N)CC1 908025568 KVBRMSVOXLVEFX-UHFFFAOYSA-N 314.392 -0.158 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@H](C)S(C)(=O)=O 919350352 WPRDBQYOWILSEG-YUMQZZPRSA-N 306.340 -0.637 30 20 DBED C#CCCCS(=O)(=O)NCCN1CCC2(C1)OCCO2 920093689 VXTRJZOTVNAWBA-UHFFFAOYSA-N 302.396 -0.232 30 20 DBED C#CC[C@@H](CO)NC(=O)NC[C@H]1CCCN1S(C)(=O)=O 921624932 XCMYCMKHNBOOCT-WDEREUQCSA-N 303.384 -0.906 30 20 DBED CO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1NC(=O)c1ccnn1C 941329846 QYATYTKXEXJCMH-CKYFFXLPSA-N 305.338 -0.465 30 20 DBED C[C@@H](C#N)C(=O)N1CCCN(C(=O)CCn2cnnn2)CC1 942071646 ULBZXASWVYTJPG-NSHDSACASA-N 305.342 -0.716 30 20 DBED Cc1nc(O)[nH]c1C(=O)NC[C@@H]1CN(C(=O)[C@H](C)C#N)CCO1 944640368 KVPZQEOWZCJVGD-PSASIEDQSA-N 321.337 -0.459 30 20 DBED C=CCn1cc(C(=O)N(C)C2CN(C(=O)[C@H]3CCOC3)C2)nn1 954308457 RDQCHNURYGDMAR-NSHDSACASA-N 319.365 -0.217 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](CNC(=O)C2CN(C(C)=O)C2)C1 958014363 FLYQTJYMRNXQND-DGCLKSJQSA-N 315.801 -0.374 30 20 DBED Cc1c(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2C)nnn1C 958368053 JOYYSMMJXQZTCG-IQJOONFLSA-N 304.354 -0.140 30 20 DBED C=CCN1C[C@H](CNC(=O)c2cc(C(N)=O)ccn2)[C@@H](O)C1 958770330 OKQXKZFRDNCORB-AAEUAGOBSA-N 304.350 -0.611 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1ccon1 960080302 RGTUNNGOCFCKBK-ZMLRMANQSA-N 304.306 -0.114 30 20 DBED CC(C)Cn1[nH]c(CC(=O)NC2[C@H]3CN(CC#N)C[C@H]23)cc1=O 960864112 JPHATCNJUMPWCU-STQMWFEESA-N 317.393 -0.055 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H]2CN(C(=O)c3cnccn3)C[C@@H]21 960881535 JIDDKJFAWMOMLL-WCFLWFBJSA-N 315.333 -0.312 30 20 DBED N#CCOc1ccc(CN2C[C@@H]3C(NC(=O)C(N)=O)[C@H]3C2)cc1 961637388 KDUUGCHXAFRVNK-STQMWFEESA-N 314.345 -0.379 30 20 DBED COc1ccc(C#N)cc1CN1C[C@H]2C(NC(=O)C(N)=O)[C@@H]2C1 961643417 WLVMNYWKOJKKID-VXGBXAGGSA-N 314.345 -0.401 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC2(CN(C(=O)c3ccncn3)C2)C1 965474880 SBYUFKOGNVLHDV-NSHDSACASA-N 315.333 -0.310 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(CC)C1CN(C(=O)COC)C1 968081740 VYIPAGRSMINXQK-AWEZNQCLSA-N 307.394 -0.210 30 20 DBED Cc1cncc(CC(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)c1 969125321 COJAHUNTOBKSRD-BNOWGMLFSA-N 316.361 -0.220 30 20 DBED CC#CCN1CCO[C@]2(CCN(C(=O)[C@H]3CCNC3=O)C2)C1 972493607 CZHNPCJSAACFKG-XJKSGUPXSA-N 305.378 -0.551 30 20 DBED CC#CCN1CCO[C@]2(CCN(C(=O)[C@]3(C)CCC(=O)N3)C2)C1 972540292 PMZABSQSLAYRTR-DLBZAZTESA-N 319.405 -0.018 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)C34CCN(CC3)C4)[C@H]2C1 976864109 MQBPISAJBXJIND-NDBYEHHHSA-N 302.378 -0.185 30 20 DBED Cc1cc(C(=O)N[C@H]2CCN(C(=O)C#CC3CC3)C[C@@H]2O)n[nH]1 991325186 OPICAHJPQJBATM-JSGCOSHPSA-N 316.361 -0.177 30 20 DBED C=CCn1cc(C(=O)NC2CN(C(=O)[C@@H]3CCO[C@@H]3C)C2)nn1 991673043 IMMIXBJNHNZDBL-ZYHUDNBSSA-N 319.365 -0.170 30 20 DBED C#CCN1CCC[C@@H](NC(=O)CN2CCC(=O)NC2=O)[C@@H]1C 994166526 KVVSATFJCMWCKZ-NWDGAFQWSA-N 306.366 -0.469 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC(NC(=O)[C@@H]3CCC(=O)NC3)C2)c1 995139201 NSRYPNMZNGLVPX-SNVBAGLBSA-N 315.333 -0.647 30 20 DBED C#CCCN1CCN(C2CCC(NC(=O)C(N)=O)CC2)CC1 996790166 ZBUDXAZISZDPIZ-UHFFFAOYSA-N 306.410 -0.460 30 20 DBED C[C@@H](NC(=O)[C@@H]1CCC(=O)N1)C1CN(C(=O)C#CC2CC2)C1 1006533467 KHZFVNXSQSZTEH-MFKMUULPSA-N 303.362 -0.359 30 20 DBED N#CCN1CCC[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 1008890065 BOCXFOZPFDLWKK-JTQLQIEISA-N 315.337 -0.825 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H]2CCN(CC(=O)N3CCC3)C2)c1 1010457798 NVOOBZIRQQLEOE-LBPRGKRZSA-N 301.350 -0.077 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCN(C(=O)c2nc[nH]n2)CC1 1011314308 WYXZMJZRCZIXFO-LBPRGKRZSA-N 316.365 -0.813 30 20 DBED N#Cc1ccc(C(=O)N2C[C@@H]3C(NC(=O)c4nc[nH]n4)[C@H]3C2)[nH]1 1013583555 LRLNRRXOZWBFAC-IUCAKERBSA-N 311.305 -0.495 30 20 DBED Cc1nn[nH]c1C(=O)N1CCC2(C1)CN(C(=O)[C@@H](C)C#N)C2 1019364262 ASAMBEQWJCJFIQ-VIFPVBQESA-N 302.338 -0.053 30 20 DBED Cc1ncsc1C(=O)N[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1O 1023113216 GDNJEBBBXPHMCE-SZEHBUNVSA-N 308.363 -0.087 30 20 DBED C#CCCN1CCC[C@@H](CNC(=O)[C@H]2CCS(=O)(=O)N2)C1 1023753678 LUCKXQGLDLRHHT-QWHCGFSZSA-N 313.423 -0.470 30 20 DBED Cc1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2O)ccn1 1025233674 GAIALKHSSQXJTK-ZWKOPEQDSA-N 302.334 -0.149 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H](N(C)Cc2nc(=O)n(C)[nH]2)C1 1027336892 VPNOZAQUUNWLTK-GHMZBOCLSA-N 306.370 -0.309 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](CN(C)Cc2nc(=O)n(C)[nH]2)C1 1029678988 VCMKIZVJZJZPQD-MNOVXSKESA-N 306.370 -0.452 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2Cc1nc(O)n[nH]1 1032638172 LSCJMNCOJMKSBQ-YFKTTZPYSA-N 319.365 -0.114 30 20 DBED C=C(Cl)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCS(=O)(=O)N1 1032789082 UESWZCVCPADWKD-GARJFASQSA-N 319.814 -0.284 30 20 DBED CC#CCN1CC[C@@H](N(C)C(=O)C2CC3(C2)NC(=O)NC3=O)C1 1033499362 IPEDIGILVHRGPV-BWBHSNQOSA-N 318.377 -0.469 30 20 DBED CCN(C(=O)[C@@H]1CCS(=O)(=O)N1)[C@@H]1CCN(CC#N)C1 1034044494 LWETYDVXBRYPGO-MNOVXSKESA-N 300.384 -0.876 30 20 DBED CC#CCN1CCCC[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)C1 1034523162 FNHKWQWFCLNXPW-CYBMUJFWSA-N 320.393 -0.126 30 20 DBED CC#CCN1CCO[C@H](CNC(=O)[C@H]2CCC(=O)N(C)C2)C1 1035616983 PFEFPHJTZIMNNB-UONOGXRCSA-N 307.394 -0.305 30 20 DBED C=CCN1CC2(CCN(C(=O)CN3CCOCC3=O)CC2)C1 1035722564 VNUBLXIWNQEXPN-UHFFFAOYSA-N 307.394 -0.044 30 20 DBED C=C(C)CN1CC[C@@H]2CN(C(=O)CN3CCNC(=O)C3)CC[C@H]21 1036793105 YRRHAMJLNITKEO-HUUCEWRRSA-N 320.437 -0.083 30 20 DBED Cn1nnnc1CN1C[C@H]2C[C@H]1[C@H]2NC(=O)c1cc(C#N)c[nH]1 1037351888 YDEBGKYXSBWXTO-CDMKHQONSA-N 312.337 -0.587 30 20 DBED C#CCCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)CN1C(=O)NC(C)(C)C1=O 1037701317 KJPPGVMQCRTZNJ-NTZNESFSSA-N 318.377 -0.471 30 20 DBED C[C@@H](c1nnnn1C)N1CC[C@H]1CNC(=O)c1ccc(C#N)[nH]1 1038172638 JCLAORPTZYBGQQ-ONGXEEELSA-N 314.353 -0.025 30 20 DBED N#Cc1cc(C(=O)NC[C@@H]2CCN2CC(=O)N2CCC2)c[nH]1 1038173629 BFPABXWPHKCFBY-ZDUSSCGKSA-N 301.350 -0.077 30 20 DBED Cn1nnc(C(=O)N2CCC([C@@H]3CCN(CC#N)C3)CC2)n1 1039147002 BMSYUEGNMYGYQM-GFCCVEGCSA-N 303.370 -0.092 30 20 DBED C[C@@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(Cc1nc(=O)n(C)[nH]1)CC2 1039347473 XZLZQGMSLCVEQR-SRVKXCTJSA-N 318.381 -0.167 30 20 DBED C=CCCC(=O)N1CC[C@](O)(CNC(=O)c2cc(=O)n(C)o2)C1 1039571550 LSALFDNGIOPIKC-HNNXBMFYSA-N 323.349 -0.362 30 20 DBED O=C(C#CC1CC1)NC[C@@]1(O)CCN(C(=O)Cc2cnc[nH]2)C1 1039688340 FWLOHNFETRJINI-INIZCTEOSA-N 316.361 -0.555 30 20 DBED C[C@H]1CCN(C(=O)C(N)=O)C[C@@H]1CNc1cncc(C#N)n1 1039887442 HZSPZYHMFLRQJP-UWVGGRQHSA-N 302.338 -0.270 30 20 DBED C=CC(C)(C)C(=O)NC[C@@]1(O)CCN(C(=O)c2ncn(C)n2)C1 1040484667 AZTVXEDSNVCMOI-HNNXBMFYSA-N 321.381 -0.280 30 20 DBED C=CCCCC(=O)NC[C@@]1(O)CCN(C(=O)C2(C(N)=O)CC2)C1 1040728807 FFRJNRNIBOQTPI-HNNXBMFYSA-N 323.393 -0.312 30 20 DBED CCn1ccc(C(=O)N2CC[C@@](O)(CNC(=O)[C@@H](C)C#N)C2)n1 1040759016 CZXOFROEOZWUDN-XHDPSFHLSA-N 319.365 -0.244 30 20 DBED Cc1nocc1C(=O)N1CC[C@@](O)(CNC(=O)[C@H](C)C#N)C1 1040760240 MURRQQYLDOAXAS-YMTOWFKASA-N 306.322 -0.164 30 20 DBED C[C@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)c2ccn(C)n2)C1 1040761139 BRWQWOYVBOTURQ-QMTHXVAHSA-N 305.338 -0.727 30 20 DBED N#Cc1cccnc1N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCO2)C1 1040926860 XSOWKQCOGQRVEJ-UPJWGTAASA-N 302.334 -0.202 30 20 DBED C[C@@]1(C(=O)N[C@@H]2CN(c3cnc(C#N)cn3)C[C@H]2O)CCOC1 1041148427 ZFUGXCRZTZDVSF-LALPHHSUSA-N 317.349 -0.559 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)CSC)C1 1041362127 HYSBWIGWHFJWGO-JTQLQIEISA-N 300.380 -0.923 30 20 DBED N#CCN1CC[C@H]2CCN(C(=O)C3CC(=O)NC(=O)C3)C[C@@H]21 1042269933 MKVHMYLPCIBAFE-JQWIXIFHSA-N 304.350 -0.514 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)[C@@H]2[C@H]3CCC[C@H]32)C1 1042397710 PUHJCVSIWISCSF-MQYQWHSLSA-N 320.389 -0.240 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)c2ncccn2)C1 1042799001 HYRNMSDGRCBAPA-UHFFFAOYSA-N 302.334 -0.417 30 20 DBED Cc1ncc(C(=O)N2CC(O)(CNC(=O)C#CC(C)C)C2)[nH]1 1042936719 NYUYUMKCCTZYRN-UHFFFAOYSA-N 304.350 -0.319 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)C[C@@H]2CCC(=O)N2)C1 1043847753 UVGADUKITXUWMK-LBPRGKRZSA-N 321.377 -0.852 30 20 DBED Cc1cc(C(=O)N[C@@H]2CN(c3ccnc(C#N)n3)C[C@@H]2O)on1 1043855495 SUTSPEDSAOGMNP-ZJUUUORDSA-N 314.305 -0.376 30 20 DBED C=C(C)CCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCNC2=O)C1 1044451592 IWSJWUCGHWHIBZ-LLVKDONJSA-N 309.366 -0.832 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)[C@@]2(C)CCC(=O)NC2)C1 1045098563 PLYYHYRYSDLFNP-HNNXBMFYSA-N 323.393 -0.442 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2nocc2C)C1 1046565058 OIANUOHELDCJAE-NSHDSACASA-N 323.349 -0.123 30 20 DBED C#CCN1CCC(C(=O)N[C@]2(C)CCN([C@@H](C)C(N)=O)C2)CC1 1046850634 YYBBTTUMFZNKBK-SUMWQHHRSA-N 320.437 -0.214 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)[C@H]1CN(CCOC)C[C@@H]1O 1047415393 VTTYFEAAODJHME-KKUMJFAQSA-N 309.410 -0.766 30 20 DBED CNC(=O)c1cccc(C(=O)N(C)[C@H]2CN(CC#N)C[C@@H]2O)c1 1047633895 QRPUIKSZLNENQG-KBPBESRZSA-N 316.361 -0.313 30 20 DBED CC(=O)NCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C#CC(C)(C)C)C1 1048828781 YGDBKDCEMLLXRH-STQMWFEESA-N 323.393 -0.798 30 20 DBED C=C(C)CN1C[C@H]2CN(C(=O)Cn3nc(C)n(C)c3=O)C[C@H]2C1 1049197661 MPQVWEMQMXNFQL-OKILXGFUSA-N 319.409 -0.143 30 20 DBED C=C(C)CN1C[C@H]2CN(C(=O)c3cn(CC(N)=O)nn3)C[C@H]2C1 1049232537 ADTXCNABIRAPMZ-TXEJJXNPSA-N 318.381 -0.657 30 20 DBED CC[C@H](C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)C#N)C1)N(C)C 1049407968 NBAASLKORIRFES-RNJOBUHISA-N 310.398 -0.484 30 20 DBED CC#CCN1CCOC[C@H]1CNC(=O)c1ccn(CCOC)n1 1051015058 DLQLBDUDCOSHBP-CQSZACIVSA-N 320.393 -0.017 30 20 DBED C=CCN1CCOC[C@H]1CNC(=O)[C@H]1CCCS1(=O)=O 1051254904 ODMYKTJYJPLGMU-VXGBXAGGSA-N 302.396 -0.433 30 20 DBED C#CCN1CC2(C1)CN(C(=O)[C@@H]1CC(=O)N(CCC)C1)CCO2 1053451449 HGMSZNZKBXWGLK-CQSZACIVSA-N 319.405 -0.209 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)[C@@H]3CCCN3CC#C)CO2)C1 1053832303 HKUIWHVBTWDDTA-CABCVRRESA-N 301.390 -0.323 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)C3)CO2)C1 1053928386 YOPXREUZXASPII-AGIUHOORSA-N 305.378 -0.519 30 20 DBED CCCN1C[C@@H](C(=O)N[C@H]2COC3(C2)CN(CC#N)C3)CC1=O 1053940559 GXOWYSBHWIJUKR-QWHCGFSZSA-N 320.393 -0.272 30 20 DBED CC(=O)N1CCN(c2ncccc2C#N)[C@H]2CS(=O)(=O)C[C@H]21 1054769769 RCKDYJIAHJMZAJ-OLZOCXBDSA-N 320.374 -0.213 30 20 DBED C[C@H]1CN(C(=O)c2ccc(S(N)(=O)=O)o2)C[C@H]1NCC#N 1054853258 FJNNVDDFJVVMGZ-DTWKUNHWSA-N 312.351 -0.499 30 20 DBED Cn1cc(C(=O)NC2[C@@H]3CN(c4nccnc4C#N)C[C@@H]23)cn1 1056133452 AIYXAXJVPFFIKC-GHMZBOCLSA-N 309.333 -0.054 30 20 DBED Cc1cc(C#N)nc(N2C[C@H]3[C@H](NC(=O)c4cn(C)nn4)[C@H]3C2)n1 1056198786 PKWOGQCBKWTHAN-PJXYFTJBSA-N 324.348 -0.350 30 20 DBED CSCC(=O)N(CCO)CCNC(=O)CSCC#N 1056899692 GQUJEVGOZTVPAG-UHFFFAOYSA-N 305.425 -0.457 30 20 DBED C=C[C@](C)(O)CC(=O)N(CCO)CCNC(=O)c1cncn1C 1057451124 FZLQYTVPGWOCCU-HNNXBMFYSA-N 324.381 -0.702 30 20 DBED CC(C)[C@@H](O)C(=O)N(CCO)CCNC(=O)c1ccc(C#N)[nH]1 1057485813 PZIAMLHQZAEJLD-CYBMUJFWSA-N 322.365 -0.546 30 20 DBED C=CCCOCC(=O)N(CCO)CCNC(=O)C[C@H](C)OC 1057919287 USCIDNKPPYMDPV-ZDUSSCGKSA-N 316.398 -0.059 30 20 DBED C=CCO[C@H](C)C(=O)N(CCO)CCNC(=O)c1cc(C)[nH]n1 1057922252 ZYEFAFCJSFKMMP-GFCCVEGCSA-N 324.381 -0.140 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)c1cnn2cc[nH]c12 1058258717 HAANKTVOAQSWCG-SNVBAGLBSA-N 318.337 -0.627 30 20 DBED N#Cc1cnc(N2CC[C@H](NC(=O)[C@H]3CCCNC3=O)C2)cn1 1058467453 MIBCJRDXLGSTQL-JQWIXIFHSA-N 314.349 -0.431 30 20 DBED C[C@@]1(C(=O)N[C@H]2CCN(c3nccnc3C#N)C2)CNC(=O)C1 1058493781 CNHYJHUCYOBFIR-BONVTDFDSA-N 314.349 -0.431 30 20 DBED CN1C(=O)CC[C@H]1C(=O)N[C@H]1CCN(c2cnc(C#N)cn2)C1 1058512769 LRJWAOQHUWQWTP-JQWIXIFHSA-N 314.349 -0.336 30 20 DBED Cc1[nH]nc(C(=O)N[C@H]2C[C@@H](N=c3cc[nH]c(C#N)n3)C2)c1O 1059604237 YWRVQYDMVMMIEB-DTORHVGOSA-N 313.321 -0.120 30 20 DBED C=CCOCC(=O)NC[C@H]1COCCN1C(=O)CCOCC 1061421480 QCJVKSTUKXWRMG-ZDUSSCGKSA-N 314.382 -0.041 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H]1COCCN1C(=O)c1cocn1 1061584770 MPKHSXDNEHHWSI-RYUDHWBXSA-N 321.333 -0.330 30 20 DBED C=CCCC(=O)N1CCOC[C@H]1CNC(=O)[C@H](C)CC(N)=O 1061750216 SARMKTQWWHHBEO-VXGBXAGGSA-N 311.382 -0.192 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)Cc1cnc[nH]1 1061928878 GWSNEZZVQCPAJZ-CMPLNLGQSA-N 305.338 -0.545 30 20 DBED C[C@H](C#N)C(=O)N1CCCC[C@@H]1CNC(=O)C1(NC(N)=O)CC1 1062333293 MGBNBZNQRQZPEE-GHMZBOCLSA-N 321.381 -0.156 30 20 DBED N#Cc1ccc(N2CCO[C@@H](CNC(=O)c3nc[nH]n3)C2)cn1 1063639100 LYHDUENXOFSJFD-LBPRGKRZSA-N 313.321 -0.293 30 20 DBED N#Cc1nccc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)Cn2cncn2)n1 1064256904 KOPYLESWAJMJHI-BFVZDQMLSA-N 310.321 -0.667 30 20 DBED C=C(C)CCC(=O)N1CCO[C@@H](CNC(=O)CNC(C)=O)C1 1065221755 OBSPXRUKFIKBCO-ZDUSSCGKSA-N 311.382 -0.178 30 20 DBED C[C@]1(NC(=O)[C@H]2COC(=O)N2)CCN(c2nccnc2C#N)C1 1065251102 PXFZWZPVQIRXOR-YGRLFVJLSA-N 316.321 -0.458 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CN(C(=O)c2ncccn2)CCO1 1065511603 GPLNVYRRRJGTJZ-QWRGUYRKSA-N 303.322 -0.407 30 20 DBED C=CCCCC(=O)N1CCO[C@H](CNC(=O)CNC(C)=O)C1 1065544048 KUBKQSNEGPROLI-CYBMUJFWSA-N 311.382 -0.178 30 20 DBED CN(C(=O)[C@H]1CCOC1)[C@H]1CN(c2ncccc2C#N)C[C@@H]1O 1065573263 OTDOTSAYRFYSFK-IHRRRGAJSA-N 316.361 -0.002 30 20 DBED COCCC(=O)N1CC[C@@H](N2CCN(C(=O)[C@@H](C)C#N)CC2)C1 1065676715 KORVSMCYFSGSHK-UONOGXRCSA-N 322.409 -0.072 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCCN(C)C(=O)C1(NC(N)=O)CC1 1067230963 HBDNQUYXICXFKY-JTQLQIEISA-N 309.370 -0.346 30 20 DBED C[C@H](Nc1cncc(C#N)n1)[C@H]1CN(C(=O)CC(N)=O)CCO1 1068227338 JOWCEMJCLAGFNU-GXSJLCMTSA-N 318.337 -0.749 30 20 DBED C#CCO[C@H](C)C(=O)N1CCOC2(CN(C(=O)C(F)F)C2)C1 1068397097 XZCNNBGUCVHJPG-SNVBAGLBSA-N 316.304 -0.270 30 20 DBED C=C[C@](C)(CC)C(=O)N1CC2(CC[C@H](CNC(=O)C(N)=O)O2)C1 1068620769 RGPUHXFAXKMYLC-IAQYHMDHSA-N 323.393 -0.050 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(C[C@@H](NC(=O)CCCC(N)=O)CO2)C1 1068915369 JCZDSBMSOAYXRA-WDEREUQCSA-N 322.365 -0.712 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@]2(CCN(C(=O)CNC(N)=O)C2)C1 1069775489 BHFFCFDRXPBPDY-XHDPSFHLSA-N 321.381 -0.345 30 20 DBED C#CCCCC(=O)NC1(CNC(=O)CC(=O)NC)CCOCC1 1070092080 NWIBXGKRMIDEOO-UHFFFAOYSA-N 323.393 -0.292 30 20 DBED Cn1nccc1C(=O)N1C[C@H](n2ccnn2)[C@H](NCC#N)C1 1070156142 SKXIXNLWWBSRFO-PWSUYJOCSA-N 300.326 -0.810 30 20 DBED C=CCCC(=O)N1CCC[C@@H](NC(=O)CN2CC(=O)NC2=O)C1 1070535489 VJYZTWNWLYKVNH-LLVKDONJSA-N 322.365 -0.388 30 20 DBED C=CCOCC(=O)N1CCC[C@@H](NC(=O)[C@@]2(C)CNC(=O)C2)C1 1070554545 VHILNOITJLJOEN-MLGOLLRUSA-N 323.393 -0.178 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CCCN(C(=O)c2cn(C)c(=O)cn2)C1 1071078430 GIMNNVFOZFMOCP-GHMZBOCLSA-N 317.349 -0.339 30 20 DBED C#CCCCC(=O)N1C[C@@H](NC(=O)CCNC(N)=O)[C@H](C)C1 1071991282 ICBNCFQRCPQVHV-VXGBXAGGSA-N 308.382 -0.189 30 20 DBED C#CCN1C[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)CC[C@@H]1C 1072034307 WBHIUFYIZHCMKZ-AAEUAGOBSA-N 305.382 -0.507 30 20 DBED C[C@H]1CC[C@H](NC(=O)c2cn(C)c(=O)nc2O)CN1CC#N 1072070111 NNPRWXUVWGAZAC-UWVGGRQHSA-N 305.338 -0.408 30 20 DBED C#CCOCCC(=O)N1C[C@H](C)[C@@H](NC(=O)CC(=O)N(C)C)C1 1072097630 OZGCVNSSROEEJD-STQMWFEESA-N 323.393 -0.532 30 20 DBED CC#CCN1CCCO[C@H](CNC(=O)[C@H]2CN(C)CCO2)C1 1073564295 VSDYDRNASWNLER-HUUCEWRRSA-N 309.410 -0.453 30 20 DBED C#CCCN1CCCO[C@@H](CNC(=O)c2c[nH]c(=O)cn2)C1 1073748051 ARBLXTVAAZVGQM-LBPRGKRZSA-N 304.350 -0.386 30 20 DBED C[C@@H](CCNC(=O)[C@H]1COC(=O)N1)NC(=O)c1cc(C#N)c[nH]1 1076344444 NBSYMPGPESKDQK-GZMMTYOYSA-N 319.321 -0.381 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC(=O)N2)C1 1077193084 JYNYQFFMPSLVIF-GMTAPVOTSA-N 301.774 -0.431 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)Cc2ccc3c(c2)OCCO3)C1 1078129978 HLTVHBHGSKPWKL-CHWSQXEVSA-N 317.345 -0.315 30 20 DBED C[C@@H](C#N)C(=O)N1CCCO[C@@H](CNCc2cn(C)nn2)C1 1078358743 WBMHEWHGMQRUGV-AAEUAGOBSA-N 306.370 -0.318 30 20 DBED C=C(C)[C@@H](CC(=O)N1CC(N(CC)C(=O)C(N)=O)C1)OCC 1080404267 ZUGGXYIIOALWTF-GFCCVEGCSA-N 311.382 -0.098 30 20 DBED CCN(C)CCC(=O)NC1(CO)CCN(C(=O)[C@@H](C)C#N)CC1 1081001006 KOECCYXCARLLQG-ZDUSSCGKSA-N 324.425 -0.042 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)Cc2cc[nH]n2)C1 1081367490 BWVPIUYPYSKLGG-WCQYABFASA-N 322.365 -0.910 30 20 DBED CC(C)(O)CC(=O)N1C[C@H](O)[C@H](CNC(=O)C#CC2CC2)C1 1081470772 FSOYUAWCNXHACD-OLZOCXBDSA-N 308.378 -0.504 30 20 DBED C#CCOCCC(=O)NC[C@H]1CN(C(=O)COCC=C)C[C@@H]1O 1081488476 IQYKOMQKXATQNB-KBPBESRZSA-N 324.377 -0.836 30 20 DBED C=CC(C)(C)C(=O)NC[C@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1O 1081640685 PNWOFHFNZXVZGY-CMPLNLGQSA-N 321.381 -0.424 30 20 DBED C=CCOCC(=O)NC[C@@H]1CCCCN1C(=O)[C@H]1CCNC1=O 1082204254 GWECXEIYEKSXNX-STQMWFEESA-N 323.393 -0.178 30 20 DBED C=CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CCn1cnnn1 1083232461 BNNKABJMYWYTJN-QWHCGFSZSA-N 306.370 -0.449 30 20 DBED Cc1cn2c(n1)C[C@H](C(=O)N[C@@H]1CN(CC#N)C[C@@H]1O)CC2 1083568545 CRUQLVQYXXGKBX-UPJWGTAASA-N 303.366 -0.561 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN([C@@H](C)C(=O)NC)C[C@@H]2O)cc1 1083691513 RXHIHICSMYDTKD-GLQYFDAESA-N 315.373 -0.423 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)c2ccnc3c2nnn3C)C1 1083731879 RVIGCXBHOYJFEB-NEPJUHHUSA-N 316.365 -0.286 30 20 DBED Cn1cnc2ccc(C(=O)N[C@@H]3CN(CC#N)C[C@@H]3O)nc21 1083775834 KQEACTJERMCOLZ-NEPJUHHUSA-N 300.322 -0.733 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2ccc3oc(O)nc3n2)C1 1083950284 CWMXLZXFFFBIAE-ZJUUUORDSA-N 302.290 -0.664 30 20 DBED CN1CCc2ccc(C(=O)N[C@@H]3CN(CC#N)C[C@@H]3O)cc21 1084013136 QQGZYSZHSQOYCA-HIFRSBDPSA-N 300.362 -0.023 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)c2ccc(C(N)=O)cn2)C1 1084112949 RDPFAEOOIBPFEL-OLZOCXBDSA-N 304.350 -0.469 30 20 DBED C#CCN1CC[C@@H]2CCN(C(=O)[C@H]3CCS(=O)(=O)N3)C[C@@H]21 1085095975 VNMMNURUABYFDD-UPJWGTAASA-N 311.407 -0.766 30 20 DBED CN(C[C@H]1CCN1CC#N)C(=O)[C@H]1CCc2nnn(C)c2C1 1085787459 PKBVLMFXKDRKQW-NWDGAFQWSA-N 302.382 -0.024 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCN(CC(N)=O)[C@@H]2CC)nn1 1087754201 SRABKNNFIKUWIK-CMPLNLGQSA-N 306.370 -0.468 30 20 DBED C=CCCN1CC[C@@H]2CN(C(=O)C[C@@H]3NC(=O)NC3=O)C[C@@H]2C1 1087997717 UWCYXWIDHLAIER-AGIUHOORSA-N 320.393 -0.059 30 20 DBED C[C@@H]1[C@@H](NC(=O)[C@@H]2CN3CC4CC3(CO2)C4)CCN1CC#N 1088757427 YQUREFXDKYRQJW-DYSQMVFPSA-N 304.394 -0.048 30 20 DBED Cn1cc(C(=O)N[C@@H]2CN(CC#N)CC3(CCOCC3)C2)nn1 1089935299 UPCWDYQXHTWCIA-LBPRGKRZSA-N 318.381 -0.060 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2ccc(C(N)=O)cn2)[C@@H](O)C1 1090843035 FWGXBLRYPZJQKW-OCCSQVGLSA-N 316.361 -0.631 30 20 DBED N#Cc1nccc(N2CCN(C(=O)CNC(=O)C3CC3)CC2)n1 1093138040 QUAUOENEMGPKBO-UHFFFAOYSA-N 314.349 -0.477 30 20 DBED CS(=O)(=O)CC(=O)NCCNc1ncc(C#N)cc1F 1093501652 BZMSOLOCXGJKCC-UHFFFAOYSA-N 300.315 -0.335 30 20 DBED CC(C)(C)C(=O)NCCC(=O)NCCN=c1cc[nH]c(C#N)n1 1094027239 UOSYGWISPGXLEI-UHFFFAOYSA-N 318.381 -0.149 30 20 DBED C=CCN1CC(n2cc(CNC(=O)[C@@H]3CCNC(=O)C3)nn2)C1 1094284040 UGNJFNXPSLOVFQ-LLVKDONJSA-N 318.381 -0.537 30 20 DBED N#CCN1CC(N2C[C@@H](NC(=O)Cc3ccon3)CC2=O)C1 1094713481 BTGWZRNSJLTPRT-NSHDSACASA-N 303.322 -0.858 30 20 DBED COC(=O)NCC(=O)N1CCC[C@H](N=c2cc[nH]c(C#N)n2)C1 1095283244 MTQZLCSWJSKGKN-JTQLQIEISA-N 318.337 -0.471 30 20 DBED N#Cc1nccnc1N1CC[C@@H](NC(=O)CCc2nc[nH]n2)C1 1096367315 NFPMRPCFSAGHAV-SNVBAGLBSA-N 312.337 -0.206 30 20 DBED CNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1c[nH]c(C#N)c1 1096971986 CHPYFOPROXZPJW-UPJWGTAASA-N 301.350 -0.033 30 20 DBED CNC(=O)CCCCC(=O)NC[C@@H](C)N=c1cc[nH]c(C#N)n1 1097899324 BENMDBAPINZELY-LLVKDONJSA-N 318.381 -0.007 30 20 DBED CNC(=O)C1(C(=O)NC[C@@H](C)N=c2cc[nH]c(C#N)n2)CCC1 1097978025 NDOXOOQDJMTMIN-SNVBAGLBSA-N 316.365 -0.397 30 20 DBED C[C@@H](CNC(=O)CN1CCCCC1=O)N=c1cc[nH]c(C#N)n1 1098399619 FMOHWOPOWPQRJS-NSHDSACASA-N 316.365 -0.301 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCC(N(CCO)CCO)CC1 1098577290 HNWPROWRIRPWCN-ZDUSSCGKSA-N 300.399 -0.145 30 20 DBED C[C@H](CCNC(=O)[C@H]1CCC(=O)N1)N=c1cc[nH]cc1C#N 1098931138 ZILOTWIDTUQJAS-ZWNOBZJWSA-N 301.350 -0.040 30 20 DBED C#CCO[C@H](C)C(=O)NCC[C@H](C)Nc1ccc2nnnn2n1 1099522656 UNFQIBXEXIBCPG-WDEREUQCSA-N 317.353 -0.136 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2cc(C)no2)[C@@H](O)C1 1099654705 QOTKWJNUGQEPIU-STQMWFEESA-N 307.350 -0.202 30 20 DBED COCC#CCN1CC[C@H](NC(=O)Cc2ccnn2C)[C@@H](O)C1 1099794997 VJJMIOGXKHDHNJ-GJZGRUSLSA-N 320.393 -0.836 30 20 DBED C=CCCCN1CC[C@@H](NC(=O)CN2C(=O)CCC2=O)[C@H](O)C1 1100101899 UWNWFQFCVLREPX-CHWSQXEVSA-N 323.393 -0.347 30 20 DBED CN(CCNC(=O)CCc1cnn[nH]1)c1nccnc1C#N 1100334593 ISFSQNHCRFKRPB-UHFFFAOYSA-N 300.326 -0.348 30 20 DBED CC#CCNC1CC(CNC(=O)CNS(=O)(=O)CC)C1 1100379098 FSWQQMQOTGHCMF-UHFFFAOYSA-N 301.412 -0.567 30 20 DBED CCN(C)C(C)(C)C(=O)NCC1CC(NCC(=O)NCC#N)C1 1100458901 LTBDYVNHRYCYRP-UHFFFAOYSA-N 323.441 -0.159 30 20 DBED CCCN(CCNC(=O)Cn1cnnn1)c1nccnc1C#N 1101083447 COOSWSBBNMIYNA-UHFFFAOYSA-N 315.341 -0.632 30 20 DBED N#Cc1nccnc1N(CCNC(=O)[C@H]1COC(=O)N1)C1CC1 1101336318 XWBDCTWQIWQBPI-LLVKDONJSA-N 316.321 -0.458 30 20 DBED COC(=O)[C@@H]1C[C@H]1C(=O)N(C)CCN=c1cc[nH]c(C#N)n1 1101542488 RGRQJAYZUIOPBU-NXEZZACHSA-N 303.322 -0.550 30 20 DBED CN(CCNc1nccn2nnnc12)C(=O)c1ccc(C#N)[nH]1 1101560489 DDCXDTCEEPUVIG-UHFFFAOYSA-N 311.309 -0.097 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)C[C@@H]2CCCO2)C1 1101748253 CXUFYEJZMFUVQP-KFWWJZLASA-N 321.421 -0.011 30 20 DBED CN(CCN=c1cc[nH]cc1C#N)C(=O)c1cn(C)c(O)n1 1101939905 KNFDQDWRVZVLNO-UHFFFAOYSA-N 300.322 -0.002 30 20 DBED C=CCN1C[C@@H](C)[C@H](CNC(=O)[C@H](C)NS(C)(=O)=O)C1 1102402204 UZFCTVORLOYRFC-GRYCIOLGSA-N 303.428 -0.206 30 20 DBED CC[C@H](CNC(=O)Cn1cnnn1)Nc1nccnc1C#N 1102968515 DDXPNZTYSDKWNY-SECBINFHSA-N 301.314 -0.658 30 20 DBED CC[C@H](CNC(=O)[C@@H]1CCNC1=O)Nc1cncc(C#N)n1 1103259098 DCIVCNIOFPZEKE-MWLCHTKSSA-N 302.338 -0.209 30 20 DBED CNC(=O)CC(=O)N1CCC[C@@H]1CNc1nccnc1C#N 1103804547 RRZMHUGOKYJJIP-SNVBAGLBSA-N 302.338 -0.113 30 20 DBED C=CCOCCNCC[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)C[C@H]1C 1104602911 FTIOTEJSLPAHKT-MGPQQGTHSA-N 324.425 -0.055 30 20 DBED CC(C)[C@H](CNC(=O)CNC(N)=O)Nc1nccnc1C#N 1105105816 FFJPINOBIGYQBC-JTQLQIEISA-N 305.342 -0.431 30 20 DBED CN(CCN(C)c1ccnc(C#N)n1)C(=O)[C@H]1CCCC(=O)N1 1105490835 CYCOUJUIHBKTSR-LLVKDONJSA-N 316.365 -0.088 30 20 DBED N#Cc1cnc(NC[C@@H](O)CNC(=O)CC2(O)CCC2)cn1 1105810250 QPOIUWTZJGJAQS-LLVKDONJSA-N 305.338 -0.458 30 20 DBED CO[C@H](C(=O)NC[C@H](O)CNc1cnc(C#N)cn1)C1CC1 1105832464 CXFYLEIAKKNJQW-YPMHNXCESA-N 305.338 -0.338 30 20 DBED Cc1nonc1C(=O)NC[C@@H](O)CNc1cnc(C#N)cn1 1105884806 RAHRCBAAUHDFKU-VIFPVBQESA-N 303.282 -0.758 30 20 DBED Cc1cnoc1C(=O)NC[C@H](O)CNc1nccnc1C#N 1105939377 PTVKTMDRSLFNMW-SECBINFHSA-N 302.294 -0.153 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1CNCC(=O)NCC#N 1106101130 JQKRPVXYGDDSQA-TZMCWYRMSA-N 302.378 -0.276 30 20 DBED C=CCN1CC(n2cc(CNC(=O)[C@H](C)CC(N)=O)nn2)C1 1107190863 FWKCPFXBHXWRPY-SNVBAGLBSA-N 306.370 -0.552 30 20 DBED CNC(=O)C1(C(=O)NC/C=C\CNc2cnc(C#N)cn2)CC1 1107251948 BYJMUUIMJBTBNM-IHWYPQMZSA-N 314.349 -0.041 30 20 DBED C=CCOCC(=O)NC[C@]1(C)CN(Cc2cn(C)nn2)CCO1 1107811872 ULMFFUZKKBGICW-OAHLLOKOSA-N 323.397 -0.275 30 20 DBED C=CCNC(=O)CN1CCO[C@@](C)(CNC(=O)c2cocn2)C1 1107813055 MBBBNRIJGQKPTH-HNNXBMFYSA-N 322.365 -0.203 30 20 DBED CC(=O)N1CC(C(=O)N[C@@H](C)CNc2cnc(C#N)cn2)C1 1108330360 TVCSKLBJPOCRJF-VIFPVBQESA-N 302.338 -0.257 30 20 DBED C#CCCN1CCO[C@](C)(CNC(=O)c2cn(C)c(=O)n2C)C1 1108426206 KYHRLYFKFBIMQU-MRXNPFEDSA-N 320.393 -0.432 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)CSCC#N)CC2=O)C1 1108510840 GIGZNUAGPLHQST-NSHDSACASA-N 308.407 -0.170 30 20 DBED C[C@@H](CNc1nccnc1C#N)NC(=O)[C@@H]1CCCNC1=O 1108570686 YIBOJVUHLVSVBU-VHSXEESVSA-N 302.338 -0.209 30 20 DBED C#CCOCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)N(C)C 1109270613 OMLUYCAMENCSLK-RDBSUJKOSA-N 307.394 -0.164 30 20 DBED C#CCCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCNC(=O)COC 1109369055 CZJUDZJQNLITEI-RDBSUJKOSA-N 307.394 -0.116 30 20 DBED COCCOCC(=O)N[C@H]1[C@H]2C[C@H]1N(c1nccnc1C#N)C2 1109695216 QQNCXXOWGAADIW-SUHUHFCYSA-N 317.349 -0.295 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1[C@H]2C[C@H]1N(c1ccnc(C#N)n1)C2 1109703978 ITUIRGBYXMSOAV-USBNGQNGSA-N 324.344 -0.819 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CCN(c2cncc(C#N)n2)C[C@@H]1C 1112387859 LOMNTNPPYVDCLF-GXFFZTMASA-N 316.365 -0.185 30 20 DBED CC(=O)NCC(=O)N[C@H]1CCN(c2cnc(C#N)cn2)[C@@H](C)C1 1112467569 POCHHLFPGJKKRU-JQWIXIFHSA-N 316.365 -0.042 30 20 DBED C[C@H](CNC(=O)[C@@]1(C)CCNC1=O)N(C)c1nccnc1C#N 1113872856 YLJHPJQPYHOQAI-BMIGLBTASA-N 316.365 -0.185 30 20 DBED CNC(=O)NCC(=O)NC[C@@H](C)N(C)c1ncccc1C#N 1113938739 NVIQLKXJFDSVSS-SNVBAGLBSA-N 304.354 -0.177 30 20 DBED Cc1cc[nH]c1C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1114200933 GUWOIPVOXUIZGU-YABSGUDNSA-N 301.350 -0.377 30 20 DBED CC(C)NC(=O)CN(C)CC(=O)N[C@H]1[C@@H]2CN(CC#N)C[C@@H]21 1114521002 GGIUVXARGPLYBS-JYAVWHMHSA-N 307.398 -0.987 30 20 DBED C#CCCCCCC(=O)N[C@H]1[C@@H]2CN(CC(=O)NC(N)=O)C[C@@H]21 1114689234 GIVXCHOZNCZUTO-JYAVWHMHSA-N 320.393 -0.189 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)c3n[nH]cc3F)[C@H]2C1 1114787039 KQZKUFDEPLCTKK-GUBZILKMSA-N 319.340 -0.653 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@H](CC)N(C)C)[C@H]2C1 1114849155 LKNYTOJYOTZHLZ-SFDCQRBFSA-N 306.410 -0.878 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)CN(CC)CC)[C@@H]2C1 1114992401 URXYGZXPDAEHSE-CHWSQXEVSA-N 308.426 -0.323 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)COCCC=C)[C@@H]2C1 1115330213 IUHWHZRIZDMOAC-BFHYXJOUSA-N 319.405 -0.237 30 20 DBED CC(=O)NCC(=O)NCCOCCCNc1cncc(C#N)n1 1115375758 VFYJEDSAGSMXQC-UHFFFAOYSA-N 320.353 -0.581 30 20 DBED C[C@H](CN(C)C(=O)[C@@H]1CCC(=O)N1)N=c1cc[nH]cc1C#N 1115787485 CDYFHLANIMTHFC-MFKMUULPSA-N 301.350 -0.087 30 20 DBED COC(=O)CN(CC#N)C(=O)Cn1ncc2ccccc2c1=O 1116111450 LWGOIXBLPMMSKW-UHFFFAOYSA-N 314.301 -0.078 30 20 DBED C=CCN(C(=O)C(=O)N1CC[C@@](O)(CC#N)C1)[C@@H](C)COC 1118468369 QREIHEVYFLRUNM-WFASDCNBSA-N 309.366 -0.087 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](CO)Nc1ncnc2c1CN(C)CC2 1121205742 SNDQQTGCANGSHE-GHMZBOCLSA-N 318.381 -0.487 30 20 DBED Cc1ncc(C(=O)NC[C@@H](CO)Nc2ccc(C#N)nn2)[nH]1 1121235953 UTCRIDCBBFDLEV-JTQLQIEISA-N 301.310 -0.417 30 20 DBED CCCOCC(=O)NC[C@@H](CO)N=c1cc(C)[nH]cc1C#N 1121279126 OIQAXJJDIYETKK-ZDUSSCGKSA-N 306.366 -0.001 30 20 DBED Cn1cnc(C(=O)NC[C@H](CO)Nc2nccnc2C#N)c1 1121302700 GRGWMSUYPARAEL-SECBINFHSA-N 301.310 -0.715 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)C[C@H]2CCOC2)nn1 1121400134 TYLRYBLYZMQBCW-ZYHUDNBSSA-N 305.338 -0.336 30 20 DBED C[C@@]1(C(=O)NC[C@H](CO)Nc2cnc(C#N)cn2)CCOC1 1121914159 KRNRUICNSIJKLM-BXUZGUMPSA-N 305.338 -0.336 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)[C@H]2CCCNC2=O)cn1 1122147246 KQFGIAOMXZQRME-OLZOCXBDSA-N 317.349 -0.632 30 20 DBED N#Cc1nc(=N[C@@H](CO)CNC(=O)[C@@H]2CC23CCC3)cc[nH]1 1122630519 XXDYFWCMPXVEJN-MNOVXSKESA-N 301.350 -0.151 30 20 DBED CN(C[C@H](O)CNc1cncc(C#N)n1)C(=O)[C@H]1CCCO1 1124066383 VEGMBPZHBASHRC-VXGBXAGGSA-N 305.338 -0.242 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]cc1C#N)C(=O)[C@@H]1CCCN1C 1124206960 HSBGKHNXLWVQKM-HIFRSBDPSA-N 317.393 -0.299 30 20 DBED CN(C[C@H](O)CNc1ccc(C#N)nn1)C(=O)[C@@H]1[C@H]2COC[C@H]21 1124654756 WHELXMCSPMXOQM-NMKXLXIOSA-N 317.349 -0.528 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)[C@H]1C[C@H]1C(=O)OC 1124682521 WHUVMWQCIOWCON-QWHCGFSZSA-N 323.393 -0.298 30 20 DBED C[C@H](CC(N)=O)C(=O)N(C)C[C@H](O)CNc1cncc(C#N)n1 1124695237 WKOWRRNERNDVNB-MWLCHTKSSA-N 320.353 -0.909 30 20 DBED C=CCOCC(=O)NCCNC[C@H](O)COC[C@H]1CCCO1 1124773192 OIKWKFKVBMJMJF-UONOGXRCSA-N 316.398 -0.549 30 20 DBED C#CCOCCC(=O)NCCNCCCS(=O)(=O)CC 1127024030 VVUIRZXVSKMJPH-UHFFFAOYSA-N 304.412 -0.443 30 20 DBED C#CCO[C@H](C)C(=O)NCCNCc1nnn(C(C)(C)C)n1 1127046107 LPKVETGNBKKKOP-LLVKDONJSA-N 308.386 -0.328 30 20 DBED CC#CCN[C@@H]1CN(C(=O)Cc2cc[nH]n2)C[C@@H]1n1ccnn1 1129708664 SXHDXUKKQWSXQF-KGLIPLIRSA-N 313.365 -0.391 30 20 DBED C=CCCN[C@@H]1CN(C(=O)[C@@H]2COC(=O)N2)C[C@@H]1n1ccnn1 1129795959 VVVAPBYADJADJP-WOPDTQHZSA-N 320.353 -0.696 30 20 DBED C#CCN[C@@H]1CCO[C@H]1C1CCN(C(=O)CNC(=O)NC)CC1 1131511901 BRCZZEYHUNAIPI-HIFRSBDPSA-N 322.409 -0.466 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)c2cn(C)nc2OC)C1=O 1132277964 LYIVQMZEKAPTGL-LBPRGKRZSA-N 321.381 -0.465 30 20 DBED C=CCNC(=O)CNC[C@H]1CN(C(=O)CNC(C)=O)CC[C@H]1C 1132599708 UXJGJMKGEMZJTA-OCCSQVGLSA-N 324.425 -0.501 30 20 DBED C[C@@H]1CCN(C(=O)c2cnn[nH]2)C[C@@H]1CNCC(=O)NCC#N 1132944879 AVWBYTJXSQQURU-MNOVXSKESA-N 319.369 -0.868 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCCNCC(=O)N1CCOCC1 1134061818 FTXCEIREKZFBJT-OLZOCXBDSA-N 311.382 -0.858 30 20 DBED C[C@@H](C[C@@H](C)NCc1nc(=O)n(C)[nH]1)NC(=O)C#CC1CC1 1134325877 JPNGHBIATZSNLD-MNOVXSKESA-N 305.382 -0.105 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)[C@H]1CCO[C@@H]1C 1135782577 FWAUZAUEJNZACD-MNOVXSKESA-N 312.370 -0.871 30 20 DBED N#CCNC(=O)CN1CCC2(C1)CN(C(=O)C#CC1CC1)C2 1147514367 JPAJDMVHJYQVGS-UHFFFAOYSA-N 300.362 -0.426 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)Cc2cncn2C)C1=O 1147872005 WSXOLTKCPVAKEY-CYBMUJFWSA-N 305.382 -0.545 30 20 DBED COCC#CCN1CCCO[C@H](CNC(=O)Cc2cnc[nH]2)C1 1150373591 XUPOFUOFDHJUIU-OAHLLOKOSA-N 320.393 -0.191 30 20 DBED COCC#CCN1CCCO[C@@H](CNC(=O)c2ccn(C)n2)C1 1150706435 JGQFFYVHQGUBCK-AWEZNQCLSA-N 320.393 -0.109 30 20 DBED C=CCNC(=O)CN(CC)[C@H](C)CNC(=O)[C@H](C)NC(C)=O 1151713311 IAXDQWKUYVSODP-NEPJUHHUSA-N 312.414 -0.360 30 20 DBED C#CCNC(=O)CC(=O)NCCCN[C@@H]1CCN(C(C)C)C1=O 1156852966 SCGQYIQIFSMDMD-CYBMUJFWSA-N 322.409 -0.769 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)[C@@H](C1CC1)N(C)C 1159932978 XGLADDZBNSDWHK-GXTWGEPZSA-N 308.426 -0.440 30 20 DBED C#CCNC(=O)CNCCCNC(=O)C[C@H](C)n1ccnc1 1167424619 CBYVEWYKNTZSFE-ZDUSSCGKSA-N 305.382 -0.321 30 20 DBED CC(C)(C)C(=O)NCC(=O)N1CC[C@@H]2OCCN(CC#N)[C@@H]2C1 1177149864 DOADAUXFJKJQQE-OLZOCXBDSA-N 322.409 -0.026 30 20 DBED CC#CCN[C@H]1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)[C@H]1C 1179735636 QHXMEUDJVXPFCD-STQMWFEESA-N 318.377 -0.471 30 20 DBED C=CCNC[C@@H]1CCN(C(=O)CNS(=O)(=O)NC)C[C@@H]1C 1184893522 WYRBSSUEBPTXDS-RYUDHWBXSA-N 318.443 -0.700 30 20 DBED N#CCNC[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)CC12CCOCC2 1186463926 CHFRRYIDOYKPOB-NEPJUHHUSA-N 321.381 -0.964 30 20 DBED C#CCOCCC(=O)N1CC[C@H](N(C)CC(=O)NC2CC2)C1 1190127995 HXROJXQUPMZFGG-AWEZNQCLSA-N 307.394 -0.162 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)[C@]2(C)CNC(=O)C2)C1 1191490900 QPORDPFKFIWBKH-LRDDRELGSA-N 322.409 -0.653 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(CCO[C@H]2CC2(F)F)C[C@H]1O 1191777029 CVHZKNCJZPKGAQ-UTUOFQBUSA-N 320.336 -0.226 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(Cc2nccnc2C)C[C@H]1O 1191777429 LLAJHZNALWKLKW-ZIAGYGMSSA-N 306.366 -0.351 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)c2ccc(F)cn2)C1 1192352495 LEXRHKIZCZSLIS-ZIAGYGMSSA-N 307.325 -0.355 30 20 DBED C=CCOCC(=O)N1CCCN([C@@H]2CCC(=O)NC2=O)CC1 1195283725 HKHSSXGYAUCOTB-GFCCVEGCSA-N 309.366 -0.472 30 20 DBED N#CCNC(=O)CN1CCCN(C(=O)[C@H]2C[C@H]3CC[C@H]2O3)CC1 1195322536 ZVVCPDQLRIEOMP-HZSPNIEDSA-N 320.393 -0.272 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)CCCn2nc(C)nc2C)C1 1197651146 YEOGWKOCWOBPSP-HUUCEWRRSA-N 319.409 -0.140 30 20 DBED C=CCNC(=O)CNC[C@@H]1CN(C(=O)CSC)CCCO1 1199763922 VSFAAGBXPFLLSO-GFCCVEGCSA-N 315.439 -0.141 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)C[C@](C)(O)C=C)CC1 1200334449 PYRRNUABMYGTCP-MRXNPFEDSA-N 307.394 -0.357 30 20 DBED C=CCNC(=O)[C@@H](C)NC1CCN(C(=O)c2cn(C)nn2)CC1 1200371418 OQPZMRYWKOXUCM-LLVKDONJSA-N 320.397 -0.300 30 20 DBED CCS(=O)(=O)N[C@@H](C)C(=O)N1CCC(NCC#N)CC1 1200686233 MOMYYVULTSCLRQ-JTQLQIEISA-N 302.400 -0.582 30 20 DBED Cc1nocc1C(=O)N1CCC(NCC(=O)NCC#N)CC1 1202302070 LDSVNPFZAOJYAR-UHFFFAOYSA-N 305.338 -0.183 30 20 DBED N#CCSCC(=O)N1CCC[C@H](NCC(=O)NC(N)=O)C1 1207409898 LEPVSTVDUSVHKJ-VIFPVBQESA-N 313.383 -0.981 30 20 DBED Cc1nc(C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@H]2C)c(C)o1 1209691932 YAYCGQDJPFVFSC-BXKDBHETSA-N 319.365 -0.019 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)Cc2[nH]cnc2C)C1 1210847249 NCXPTMJMSSXRMO-CYBMUJFWSA-N 317.393 -0.409 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2nccn2C)C[C@H]1OC 1212256086 UJXDFSYEFSWZDC-BFHYXJOUSA-N 320.393 -0.226 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(CC(=O)NC2CC2)C[C@H]1OC 1212262696 WOQHADPHPBTGSU-ZIAGYGMSSA-N 323.393 -0.880 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(CC(=O)NC2CCCC2)C[C@@H]1O 1219580875 DOZIEYWKBXGBRS-CABCVRRESA-N 321.421 -0.134 30 20 DBED C=CCCCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCN(C(C)=O)C2)C1 1220868067 QXPPFIHAWFJHDB-ZNMIVQPWSA-N 309.410 -0.018 30 20 DBED Cc1n[nH]c(C)c1C[C@@H](C)C(=O)N[C@@H]1CN(CC#N)C[C@@H]1O 1221009788 LFSKAPVNFCLSBE-FZQKWOKYSA-N 305.382 -0.110 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(Cc2cnns2)C[C@@H]1O 1221139765 MOOAPYNSDLTEEA-NEPJUHHUSA-N 312.395 -0.208 30 20 DBED CCC[C@@H](C(=O)N1C[C@H]2CCN(CC#N)C[C@H]21)S(N)(=O)=O 1221712984 VBTZGJQMBVKWCO-UTUOFQBUSA-N 314.411 -0.500 30 20 DBED C#CCOCCC(=O)NCC1CCN(CC(=O)NCC)CC1 1223174627 JZZRKINOXCZOLD-UHFFFAOYSA-N 309.410 -0.009 30 20 DBED C#CCCN1CCC(CNC(=O)CCS(=O)(=O)NC)CC1 1223175196 ZIDWTERAWQTWPM-UHFFFAOYSA-N 315.439 -0.223 30 20 DBED C#CCCN1CCC(CNC(=O)CN2C(=O)CNC2=O)CC1 1225372657 VPGMCVPWXKGYMB-UHFFFAOYSA-N 306.366 -0.610 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)[C@@H]2C[C@H](C)CO2)CC1 1228360941 LYGYHIOTDGWEIY-JSGCOSHPSA-N 307.394 -0.259 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC[C@@H]1CN(C)C(=O)CNC(C)=O 1230646444 OMABRBXVCYEEMV-DGCLKSJQSA-N 310.398 -0.654 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)c1cnns1 1230860084 BHMZASPDEUSFDU-JTQLQIEISA-N 307.379 -0.566 30 20 DBED C=CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)CNC(=O)CCC 1230977518 PTOYTQAJGRIPDZ-CYBMUJFWSA-N 324.425 -0.262 30 20 DBED C=CCN1CC[C@@H]1CN(C)C(=O)CN(C)S(=O)(=O)N(C)C 1234287867 WTTXNPUNBLBZPD-GFCCVEGCSA-N 318.443 -0.557 30 20 DBED COc1ncc(NC(=O)C(=O)N(C)[C@H](C)CC#N)cc1C(N)=O 1255498631 RWCZNXADDBTQAN-MRVPVSSYSA-N 319.321 -0.112 30 20 DBED C=C(C)COCCNC(=O)C(=O)NC[C@]1(OC)CCOC1 1261164512 TWHBJQYZWYUVCR-CQSZACIVSA-N 300.355 -0.383 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC[C@H](NC(=O)c2cn(C)nn2)C1 1267722630 KSOZDWWPPRPAQS-MNOVXSKESA-N 306.370 -0.690 30 20 DBED C[C@@H]1CN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)C[C@H](CO)O1 1320634671 YKXTVRMIXACTDW-NYFCXMLFSA-N 323.349 -0.489 30 20 DBED Cc1cc(NC(=O)C(=O)N2C[C@H]3C[C@]3(CO)C2)n(CCC#N)n1 1320678984 OOSFUAGXPXZBIM-IAQYHMDHSA-N 317.349 -0.116 30 20 DBED C#CCC[C@H](O)CNC(=O)C1CCN(S(=O)(=O)NC)CC1 1323629459 LGQFQVVSNVHSDS-LBPRGKRZSA-N 317.411 -0.947 30 20 DBED COc1cc(NC(=O)C(=O)NCC(=O)NCC#N)cc(OC)c1 1323806822 FKLSETIHDVRMTH-UHFFFAOYSA-N 320.305 -0.602 30 20 DBED CN(CC1CC1)C(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1324578607 SNNDZOKJYXYHDF-OUKQBFOZSA-N 320.349 -0.503 30 20 DBED COC[C@H](CO)NC(=O)C(=O)Nc1cccc(OCC#N)c1 1326904244 HWPIBDZVFOKATO-NSHDSACASA-N 307.306 -0.349 30 20 DBED Cc1cc(NC(=O)C(=O)NC[C@]2(O)CCN(C)C2)ncc1C#N 1329053525 HSLZQWTWGRNXJN-OAHLLOKOSA-N 317.349 -0.617 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)NC1CCN(C(=O)OC)CC1 1329246694 BORXPQBVRHPYGP-SNVBAGLBSA-N 313.354 -0.349 30 20 DBED N#CC1(NC(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)CC1 1329698318 NWOGLMOQUKKJGF-CNVPUSNMSA-N 303.318 -0.289 30 20 DBED COCCN1CCN(C(=O)C(=O)N2CC[C@](F)(C#N)C2)CC1 1331169730 WXFNUKTXQFFYFS-AWEZNQCLSA-N 312.345 -0.759 30 20 DBED C#CCN1CCN(c2nnc(Cc3nn[nH]n3)n2CC=C)CC1 1339571191 WQIWDKKBLKQTTG-UHFFFAOYSA-N 313.369 -0.677 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)N[C@@H]2CCCc3c[nH]nc32)C1 1345867806 JHIAKULNXKACJT-ABAIWWIYSA-N 317.349 -0.220 30 20 DBED C=CCn1cc(CNC(=O)N[C@@H](C)CS(C)(=O)=O)nn1 1349004913 KVJNUGOSUFGVOH-VIFPVBQESA-N 301.372 -0.304 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N1CC[C@H](C2OCCO2)C1 1356346818 ROZQVXBPVVQETH-ZDUSSCGKSA-N 324.377 -0.294 30 20 DBED N#Cc1cn(CC(=O)NCC(=O)c2cccs2)c(=O)nc1O 1362226179 WXLYTZCGICSXTA-UHFFFAOYSA-N 318.314 -0.119 30 20 DBED CO[C@@]1(C(=O)NCc2ccnc(C#N)c2)CCS(=O)(=O)C1 1362623957 WXHJQDDJFYQWGW-ZDUSSCGKSA-N 309.347 -0.227 30 20 DBED CC[C@H]1CN(C(=O)CCn2cc(C#N)c(O)nc2=O)C[C@H]1O 1362812704 PHKQCZUJRWBOBC-GXSJLCMTSA-N 306.322 -0.560 30 20 DBED N#Cc1cn(CCC(=O)N[C@H]2CN3CCC2CC3)c(=O)nc1O 1362846915 BXEIHFVJFGIICD-LBPRGKRZSA-N 317.349 -0.579 30 20 DBED CC[C@@H](C#N)C(=O)N[C@@H]1CCN(c2cc(=O)n(C)c(O)n2)C1 1363706098 FFXKGZOTINPIMM-VHSXEESVSA-N 305.338 -0.269 30 20 DBED CCN(CC)CCNC(=O)NCCn1cc(C#N)c(O)nc1=O 1367337214 PXOTZGIBBDWCSH-UHFFFAOYSA-N 322.369 -0.538 30 20 DBED C=C(Cl)CNC[C@@H](O)CNC(=O)[C@@H]1COCCN1CC 1367595826 AOTYJSGQUNGCMB-NEPJUHHUSA-N 305.806 -0.474 30 20 DBED CNC(=O)NCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)C#N 1371570608 UNUBEDZIZNPZNA-HBNTYKKESA-N 309.370 -0.381 30 20 DBED CCN(CCNC(=O)c1cc(C#N)c[nH]1)C(=O)c1cn(C)nn1 1387180596 XEJPWWJSAMCSEZ-UHFFFAOYSA-N 315.337 -0.093 30 20 DBED C=C(Cl)CN1CCOC[C@@H]1CNC(=O)CCS(C)(=O)=O 1402518127 PCZVFQIYWZWSTM-NSHDSACASA-N 324.830 -0.009 30 20 DBED CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)c1cc(C#N)c[nH]1 1411649927 WSPZMYSFXJGKTM-SNVBAGLBSA-N 324.362 -0.738 30 20 DBED COCCN(CCNC(=O)Cc1ccn(C)n1)C(=O)[C@H](C)C#N 1413496737 ATFLOWIKLFBSCM-GFCCVEGCSA-N 321.381 -0.287 30 20 DBED C=C(Cl)CNC[C@@H](C)NC(=O)CN1CCCS1(=O)=O 1420301557 WJKFFQSVELEDFU-SNVBAGLBSA-N 309.819 -0.131 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNCC(=O)NCc1cccs1 1422266985 QLALQOCZCJSFGM-MNOVXSKESA-N 324.406 -0.409 30 20 DBED CCN(CCC#N)C(=O)CNC[C@H](C)NC(=O)c1cn(C)nn1 1445552444 QYAFKPSNLFCMQX-NSHDSACASA-N 321.385 -0.715 30 20 DBED CCN(CCC#N)C(=O)CN1CC([C@@H](C)NC(=O)COC)C1 1448265681 YHPKLPNCTGUVHK-GFCCVEGCSA-N 310.398 -0.169 30 20 DBED CC(C)[C@@H](C#N)N1CCN(C(=O)CCCS(N)(=O)=O)CC1 1464752707 UOTMBIHOQCMAOS-GFCCVEGCSA-N 316.427 -0.253 30 20 DBED CC1(C)C[C@H](NC(=O)Cn2cc(C#N)c(O)nc2=O)CCO1 1466711656 RUKSDWFYLFGTIM-SNVBAGLBSA-N 306.322 -0.106 30 20 DBED C[C@@H](NC(=O)NCCn1cnc(C#N)n1)c1nnc2n1CCC2 1468365421 NXWZPPZSLXPAPG-SECBINFHSA-N 315.341 -0.252 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC(CNC(=O)[C@H](C(C)C)N(C)C)C1 1481656233 ODAZAJHQOJDTQZ-HIFRSBDPSA-N 322.453 -0.242 30 20 DBED CCN1C[C@H](C(=O)N(C)CCN(C)C(=O)[C@H](C)C#N)CC1=O 1501184086 GWKURRWUFNMZKJ-VXGBXAGGSA-N 308.382 -0.069 30 20 DBED C[C@H](CN(C)C(=O)CN(C)S(C)(=O)=O)NC(=O)[C@H](C)C#N 1510605919 FMBQOELRJYPITJ-NXEZZACHSA-N 318.399 -0.999 30 20 DBED C[C@H](C#N)C(=O)N1CCC2(CN(C(=O)CNC(=O)C3CC3)C2)C1 1512281179 FXTXHGZXQZJDFN-LLVKDONJSA-N 318.377 -0.267 30 20 DBED N#Cc1cc(C(=O)NC[C@@H](O)CNC(=O)[C@@H]2CCOC2)c[nH]1 1533206779 XVYIPRPDXYYDIY-SKDRFNHKSA-N 306.322 -0.870 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1n[nH]c2c1CCC2 1533299719 ONEWSHXEQZRJFP-BDAKNGLRSA-N 305.338 -0.735 30 20 DBED CO[C@H](C(=O)O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 1574102664 YGISCKDONNKVBF-NSHDSACASA-N 321.337 -0.652 30 20 DBED CCOC(=O)[C@@](C)(O)CNc1cnc(C#N)c(-c2nn[nH]n2)n1 1578241221 NHGFTXDOXPQPMX-LBPRGKRZSA-N 318.297 -0.746 30 20 DBED C#CC[C@H](NC(=O)[C@H](NC(=O)C1CCCC1)[C@H](C)O)C(=O)O 1588398285 GIOYRCKCPMLINU-ZMLRMANQSA-N 310.350 -0.365 30 20 DBED C=C(C)CNCCN(CCO)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 1588429414 WBXLOAOJLMJMSC-UHFFFAOYSA-N 319.369 -0.205 30 20 DBED C#CCN1CCN(C(=O)CN2C[C@H](C(=O)O)CC[C@H]2C)CC1 1588430807 OWOXVSUTUXSBNE-ZIAGYGMSSA-N 307.394 -0.051 30 20 DBED C=C[C@](C)(O)C(=O)Nc1n[nH]c(CCCNC)c1-c1nn[nH]n1 1588500498 YSNYWNCQDAGWQD-ZDUSSCGKSA-N 320.357 -0.383 30 20 DBED C=CCO[C@@H]1CCN(C(=O)[C@@H](C)n2cnc(-c3nn[nH]n3)n2)C1 1588664955 AHGQFLVQFIRGRE-NXEZZACHSA-N 318.341 -0.177 30 20 DBED N#CCCS(=O)(=O)NC(=O)C1(CC(=O)O)CCOCC1 1594610395 QUNOZGKCYVQFQY-UHFFFAOYSA-N 304.324 -0.382 30 20 DBED N#Cc1cc(C(=O)O)cn(CC(=O)NC[C@@H]2CCCO2)c1=O 1601086462 RCKYFBKRQYUKSE-NSHDSACASA-N 305.290 -0.287 30 20 DBED C[C@@H]1CN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CC[C@H]1C(=O)O 1603463409 BABOWQOZJLXGQI-OUAUKWLOSA-N 317.367 -0.502 30 20 DBED CN(CCNc1ccc(-c2nn[nH]n2)nn1)c1ccc(C#N)nn1 1604774088 QQNWAWTXAJDYAZ-UHFFFAOYSA-N 323.324 -0.133 30 20 DBED O=C(O)CN1CCC[C@@H](C(=O)NCC#C[C@@H]2CCCCO2)C1=O 1606250141 JKYKYBXJOPVHNV-STQMWFEESA-N 322.361 -0.002 30 20 DBED N#Cc1c(-c2nn[nH]n2)nc(N)n1C[C@@H]1C[C@@H]2COC[C@@H]2O1 1606355777 OGCAXGCLLDZTLE-FJXKBIBVSA-N 302.298 -0.679 30 20 DBED N#C[C@H]1CC[C@@H](NC(=O)C(=O)N2C[C@H](O)C[C@@H](C(=O)O)C2)C1 1608190437 RVFQWHLVXFXJOK-LNFKQOIKSA-N 309.322 -0.911 30 20 DBED N#Cc1cncc(S(=O)(=O)NCC2(C(N)=O)CCOCC2)c1 1647196217 JABZCNGZNGYWJL-UHFFFAOYSA-N 324.362 -0.486 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N(C)Cc1nncn1C 1649798841 FJLAGWKPDWVVAA-SNVBAGLBSA-N 300.388 -0.027 30 20 DBED COCC#CCN[C@H]1CCN(C(=O)c2cnc3[nH]nnc3c2)C1 1661317930 KFNJGBOFOQYIQG-LBPRGKRZSA-N 314.349 -0.193 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)[C@@]23CCCN(CC2)C3)C1 1713984188 KREZILXDEJEHRU-PBHICJAKSA-N 318.421 -0.588 30 20 DBED Cc1nn(C)c(F)c1C(=O)N[C@H]1C[C@@H](NCC(=O)NCC#N)C1 1752773398 IHNFKQKOOGOORM-AOOOYVTPSA-N 322.344 -0.642 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H](C)CNC(=O)CCn1cc(C)cn1 1752921718 XUDNQVJGKAAFJY-KGLIPLIRSA-N 319.409 -0.186 30 20 DBED CNC(=O)NC(=O)[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)C#CC1CC1 1753420536 BGQOPTZJBHUNBM-WXHSDQCUSA-N 318.377 -0.471 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@H](CC)NCC(=O)N(C)C 1753476615 MIPBEVFZDKDWNN-KGLIPLIRSA-N 308.426 -0.343 30 20 DBED C#CCCNC[C@H](CC(C)C)NC(=O)CN1CCOCC1=O 1753736580 NXCOWEXHEDCUNJ-AWEZNQCLSA-N 309.410 -0.011 30 20 DBED C#CCNC(=O)CNCCCN(C)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1754392614 LALWBUNMISOYIY-AQRJEWBLSA-N 319.405 -0.403 30 20 DBED C=C(C)CNCCCN(C)C(=O)CN1C(=O)C(=O)N(C)C1=O 1754400599 FATZQEGPQLUPGN-UHFFFAOYSA-N 310.354 -0.579 30 20 DBED C#CCNC(=O)CNC[C@@H](NC(=O)Cc1cc(C)on1)C1CC1 1754434369 AESFXTCVTUXDLW-CQSZACIVSA-N 318.377 -0.241 30 20 DBED C=C(C)CN1CC[C@H](N2CCN(C(=O)[C@H](C)NC(N)=O)CC2)C1 1754662487 AIZBISLVLGJTDG-KBPBESRZSA-N 323.441 -0.162 30 20 DBED C=CCCC(=O)NC[C@]1(O)CCN(CCN2C(=O)CCC2=O)C1 1754745660 FHKQJVUUWUCBHN-MRXNPFEDSA-N 323.393 -0.345 30 20 DBED C#CCNC(=O)CN[C@@H](C)[C@@H]1CCN(C(=O)CN(C)CCC)C1 1754805813 UEELHJMKSGMBDW-LSDHHAIUSA-N 322.453 -0.096 30 20 DBED CN(C(=O)C#CC1CC1)[C@@H](CNCc1nnnn1C)C1CC1 1755571646 PXNZKIDEEYGQIB-ZDUSSCGKSA-N 302.382 -0.050 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C[C@H](O)CNCc1cnsn1 1755779066 CHTUDBHIQIDBMF-ZYHUDNBSSA-N 312.395 -0.515 30 20 DBED CN(CC(=O)NCC#N)C[C@H](O)CN(C)C(=O)[C@]1(C)C=CCC1 1755805176 SYXHDFSDGLGWPS-XJKSGUPXSA-N 322.409 -0.266 30 20 DBED C=CCO[C@H](C)C(=O)N1CC[C@@H]1CN(C)C(=O)Cc1nc[nH]n1 1757307023 MFWSRAWKDPCSLB-VXGBXAGGSA-N 321.381 -0.002 30 20 DBED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](C)CN)C2 1781694300 PZMPADNNARKOKV-XJKCOSOUSA-N 307.394 -0.272 30 20 DBED COCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC#N)C2 1792841413 RMPWNUIBZLWXMD-JJLQDPRZSA-N 309.366 -0.084 30 20 DBED N#CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc[nH]1 1794712127 YFCSYFOTFYSZAX-DDFAGTSDSA-N 303.322 -0.473 30 20 DBED O=C(C#CC1CC1)N1CCCC2(CCN(C(=O)C(O)O)CC2)C1 1805880892 IJTAEZGHAMZKCY-UHFFFAOYSA-N 320.389 -0.058 30 20 DBED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCO[C@H](C#N)C2)CC1 91558107 ZFWWDKNBNDHPOK-HUUCEWRRSA-N 319.409 -0.097 30 20 DBED C=CCN(CC(=O)NC[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 121164822 FADQPRDLWMCGPJ-CHWSQXEVSA-N 316.423 -0.043 30 20 DBED C/N=C(/NC[C@@H](O)C(F)(F)F)N[C@H]1CCc2nc(C)nn2C1 262753986 ALQIJLSDGRTNFL-DTWKUNHWSA-N 320.319 -0.010 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NO[C@@H]2CCCCO2)C1=O 263747307 WVDDTYAIAXFUOB-SNVBAGLBSA-N 311.294 -0.462 30 20 DBED N#Cc1ccc(OCC(=O)NC[C@@H]2CC(C(N)=O)=NO2)cc1 276318185 WBLXJRQORZCOER-NSHDSACASA-N 302.290 -0.317 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N1CC[C@@H]2NC(=O)OC[C@H]2C1 281319405 LDEKCTPSNSTPNY-MXWKQRLJSA-N 310.354 -0.183 30 20 DBED C[C@H](NC(=O)C(=O)N1CCNC(=O)C1)c1ccc(C#N)cc1 283890186 HIAIQEVGFUHWCW-JTQLQIEISA-N 300.318 -0.306 30 20 DBED C#Cc1cc(F)c(NC(=O)C(=O)N[C@@H]2COC[C@H]2O)c(F)c1 296108688 HFXRUSCBCDOVPZ-GHMZBOCLSA-N 310.256 -0.240 30 20 DBED CS(=O)(=O)N1CCC[C@@H]1C/N=C(/O)N1CCC(O)CC1 328750392 REBOAPQCITZKAB-SNVBAGLBSA-N 305.400 -0.219 30 20 DBED COCC(=O)N1CCN(/C(O)=N/[C@@H]2CCN(C3CC3)C2)CC1 329320904 UIAULHFAHDWBES-GFCCVEGCSA-N 310.398 -0.072 30 20 DBED C[C@H](O)C[C@@H]1COCCN1/C(O)=N/C[C@H]1CN(C)CCO1 329850680 SMEFPPQUHAAZIQ-XQQFMLRXSA-N 301.387 -0.297 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)NC[C@H](O)C2CCCCC2)CCO1 337090713 KCCACNALHXAKEO-OLZOCXBDSA-N 317.411 -0.014 30 20 DBED N#CCNC(=O)CNC(=O)CNC(=O)c1cccc(Cl)c1 343543619 IUJZVZSGNUKUHL-UHFFFAOYSA-N 308.725 -0.174 30 20 DBED CCN(CC#N)CC(=O)N(CCOC)[C@@H]1CCS(=O)(=O)C1 344716213 VHGCTXYJFHTARN-GFCCVEGCSA-N 317.411 -0.506 30 20 DBED CC(C)(C)[C@@H](C#N)NC(=O)CN1CCN(S(C)(=O)=O)CC1 346167204 XFXSLYXENMDOIP-LLVKDONJSA-N 316.427 -0.382 30 20 DBED CCCn1c(N)c(C(=O)CN2CCOC[C@H]2C#N)c(O)nc1=O 348697258 IEVQZZQVPYZLAR-SECBINFHSA-N 321.337 -0.652 30 20 DBED N#Cc1ncn(CCNS(=O)(=O)c2ccccc2C#N)n1 352637118 NQVDRSRSGREXQC-UHFFFAOYSA-N 302.319 0.000 30 20 DBED N#CCC1(O)CN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1 358909679 WBEHWHPXFANYON-UHFFFAOYSA-N 320.334 -0.689 30 20 DBED C=CCOC[C@@H](NS(=O)(=O)[C@H](C)C(=O)N(C)C)C(=O)OC 360604999 PAUBUUGIPBTSQQ-NXEZZACHSA-N 322.383 -0.873 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccnn2C)C1=O 440249581 ZWVQXCBNRXOXFZ-JTQLQIEISA-N 305.338 -0.396 30 20 DBED CC#CCNC(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1 440606286 USCDGFBYZLWDDY-UHFFFAOYSA-N 313.310 -0.449 30 20 DBED CO[C@H]1COCC[C@H]1CNc1c(C#N)c(=O)n(C)c(=O)n1C 450699432 XWRUAXVPMXDHEB-ONGXEEELSA-N 308.338 -0.581 30 20 DBED C=CC(C)(C)CNC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 452779180 SHQHHOFLTMQARG-UHFFFAOYSA-N 319.365 -0.238 30 20 DBED C#CCNC(=O)[C@@H](CCC(N)=O)N1C(=O)c2ccccc2C1=O 490674214 AEWLNDXBIPWJJD-GFCCVEGCSA-N 313.313 -0.334 30 20 DBED C#CCNC(=O)CCNCCNS(=O)(=O)c1cccnc1 491417507 NLKWCWYMVJSOGZ-UHFFFAOYSA-N 310.379 -0.911 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)C2(COCC)CC2)CC1 491483622 CUPOUDPZZSFZON-UHFFFAOYSA-N 307.394 -0.303 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2cc(C#N)oc2C)CC1 491626553 IRCHVQHWHWINMP-UHFFFAOYSA-N 314.345 -0.033 30 20 DBED COC(=O)CN(CC#N)S(=O)(=O)[C@H]1CCC[C@@H]1C(=O)OC 530538090 AYYYJPVMCBGEDA-UWVGGRQHSA-N 318.351 -0.344 30 20 DBED N#CCCC1CCN(C(=O)C(=O)NCCN2CCNCC2)CC1 564982020 UBQDEROPJACNBU-UHFFFAOYSA-N 321.425 -0.450 30 20 DBED N#Cc1ccc(S(=O)(=O)N[C@@]2(C(N)=O)CCOC2)c(F)c1 566477635 IMBGNBDDEPVBGV-LBPRGKRZSA-N 313.310 -0.380 30 20 DBED N#Cc1cccc(S(=O)(=O)NCC(=O)NC[C@H](O)C2CC2)c1 575223654 CBWRGXKUCOZDOX-ZDUSSCGKSA-N 323.374 -0.276 30 20 DBED Cc1onc(CC(=O)N[C@@H](C)C(=O)NCCN(C)C)c1C#N 579002673 RSPLGLXNZALHRU-VIFPVBQESA-N 307.354 -0.420 30 20 DBED CC1(C)CN(C(=O)C(=O)NC2CCN(CC#N)CC2)CCO1 588124185 YQYFDWFLHQKCOW-UHFFFAOYSA-N 308.382 -0.272 30 20 DBED N#CCCN(Cc1ccccn1)C(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 597148179 SIUHHJDCBUJINF-RBSFLKMASA-N 317.345 -0.263 30 20 DBED Cc1c(C#N)c(=O)n(CC(=O)N2CCOCC2)c(=O)n1C1CC1 601092430 MDWITKNWUGSZGP-UHFFFAOYSA-N 318.333 -0.616 30 20 DBED C=C(C)COCCNC(=O)C(=O)N1CCO[C@H](C(=O)O)C1 643169337 QUMSERQPKNDBBQ-JTQLQIEISA-N 300.311 -0.993 30 20 DBED C=CCN(CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)[C@H](C)COC 661242128 HGJHCWDRVQPLQP-SNVBAGLBSA-N 324.381 -0.628 30 20 DBED C=C[C@H](CO)NCC(=O)NCc1ccc(S(C)(=O)=O)cc1 662168723 RURJTXVOMMJCGU-GFCCVEGCSA-N 312.391 -0.157 30 20 DBED C=CC[C@@H]1CCCN(C(=O)C(=O)N2CCN(C)C[C@H]2CN)C1 662948398 WFKGSKQBEAQEQK-ZIAGYGMSSA-N 308.426 -0.098 30 20 DBED C#CCCCC(=O)N[C@H](C)C(=O)N1CCS(=O)(=O)CC1 760256507 NICMAINQRUSUGY-LLVKDONJSA-N 300.380 -0.448 30 20 DBED C#C[C@H](NS(=O)(=O)N(C)CCC(=O)OC)[C@H]1CCCO1 773052914 QVUKRQJGYPWRCD-WDEREUQCSA-N 304.368 -0.504 30 20 DBED N#CCCCNC(=O)NCCS(=O)(=O)N1CCOCC1 784258355 PRVOJQNRBFWOSV-UHFFFAOYSA-N 304.372 -0.749 30 20 DBED N#CC1(CNC(=O)NCCS(=O)(=O)N2CCOCC2)CC1 797441468 HTSIKSLWGSMKEP-UHFFFAOYSA-N 316.383 -0.749 30 20 DBED N#Cc1ccc(NC(=O)C(=O)N2CCO[C@H](C(=O)O)C2)c(F)c1 819100682 ZXODTSPBDONFRU-NSHDSACASA-N 321.264 -0.052 30 20 DBED CN(C)S(=O)(=O)c1ccc(C(=O)N[C@H]2CNC[C@@H]2C#N)cn1 834501066 ZEHDXANAVCUKSJ-QWRGUYRKSA-N 323.378 -0.827 30 20 DBED C[C@@H](OC(=O)[C@@H]1CCS(=O)(=O)N1)C(=O)NC1(C#N)CCC1 845377056 XHFCMVPFEHPJDB-BDAKNGLRSA-N 315.351 -0.828 30 20 DBED N#C[C@H]1CN(S(=O)(=O)N2CCCOCC2)CCN1C1CC1 845857763 IUNZXTAVAZXBPY-ZDUSSCGKSA-N 314.411 -0.374 30 20 DBED CC(=O)NCc1ccc(S(=O)(=O)O[C@H]2CNOC2)s1 845932100 OWBVSBXPFDKAFR-QMMMGPOBSA-N 306.365 -0.007 30 20 DBED C#Cc1ccc(C(=O)N2CCC(NS(=O)(=O)NC)CC2)cn1 846056787 QGSQTOMANCDQOM-UHFFFAOYSA-N 322.390 -0.279 30 20 DBED COC[C@@H](C#N)OC(=O)CN(C)S(=O)(=O)c1cccnc1 857064706 YWGGTDPXWGQGFI-SNVBAGLBSA-N 313.335 -0.216 30 20 DBED C#CCNC(=O)[C@@H](C)OC(=O)c1cccc(OCC(N)=O)c1 913320076 REZLARGNLSDPKL-SNVBAGLBSA-N 304.302 -0.155 30 20 DBED CN(C)CC#CCNC(=O)c1ccc(CS(N)(=O)=O)cc1 913517687 LSGHJLJSZPRHRZ-UHFFFAOYSA-N 309.391 -0.230 30 20 DBED Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(=NNC(=N)N)CC1 915049105 NWPCDOIACMEOAO-UHFFFAOYSA-N 313.387 -0.350 30 20 DBED CN(C)C(=O)CNC(=S)NCCNc1ccc(C#N)cn1 918720186 PEHTVFMLHVWVOK-UHFFFAOYSA-N 306.395 -0.083 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](NC(=O)c2cccnc2C(N)=O)C1 940808303 SIEXWVCBUUPKNY-VHSXEESVSA-N 315.333 -0.329 30 20 DBED CCn1nc(C(=O)N[C@@H]2CCN(C(=O)[C@H](C)C#N)C2)ccc1=O 942143082 HFTWJNPSQMJTID-GHMZBOCLSA-N 317.349 -0.246 30 20 DBED C=CCCn1cc(C(=O)N[C@@H]2CCN(CC(N)=O)C[C@@H]2C)nn1 943495059 BUSVESYROWTVIX-NWDGAFQWSA-N 320.397 -0.220 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2[C@H]3C[C@H]2N(C(=O)c2cnon2)C3)[nH]1 946947729 QCAGPAJNEIBXRU-UPZJHPNMSA-N 312.289 -0.088 30 20 DBED C#CCN1CC[C@@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)C[C@@H]1C 947776491 WQDPATFQURJQKQ-WDEREUQCSA-N 320.349 -0.991 30 20 DBED CC#CCN1CC[C@H](NC(=O)CN2CC(=O)NC2=O)C[C@@H]1C 947821628 XMUHHUGETKGXJT-RYUDHWBXSA-N 306.366 -0.469 30 20 DBED Cn1cnc(C(=O)NC[C@H]2CCN2C(=O)c2ccc(C#N)[nH]2)n1 949743621 OSNHVPYERPHELO-SNVBAGLBSA-N 313.321 -0.341 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]1CNC(=O)c1ccc(C(N)=O)o1 951309124 ANVLWJCMGMYRAV-RKDXNWHRSA-N 304.306 -0.131 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@H]1CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 952140946 QLGJZJVHFJZSSZ-SDDRHHMPSA-N 323.393 -0.051 30 20 DBED C=C1CC(C)(C(=O)N(C)C2CN(C(=O)[C@H]3CNC(=O)N3)C2)C1 955256422 YYUAUJOJPFZGND-LLVKDONJSA-N 306.366 -0.307 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@]1(C)CCN(C(=O)CC(N)=O)C1 957010683 SRVVXTORYDRUOK-BFQNTYOBSA-N 323.393 -0.050 30 20 DBED COc1ccnc(OC)c1C(=O)NC[C@H]1CN(CC#N)C[C@H]1O 958249100 RQQYBQSDODDANF-WDEREUQCSA-N 320.349 -0.355 30 20 DBED CN1CC[C@H](N2C[C@H]3C(NC(=O)c4cc(C#N)c[nH]4)[C@@H]3C2)C1=O 958505606 ZAVFBHHWJPHEBA-WZRBSPASSA-N 313.361 -0.223 30 20 DBED C#CCCN1C[C@H](CNC(=O)c2nc3ncccn3n2)[C@@H](O)C1 958507305 OEBSJLXWEHJBRX-RYUDHWBXSA-N 314.349 -0.830 30 20 DBED C#CCN1CC[C@@H]([C@H]2CCCN(C(=O)Cn3cnnn3)C2)C1 961104564 OYZULOPWQVHXHY-UONOGXRCSA-N 302.382 -0.133 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)c2ccccc2O)C1 961638227 RXILBWVTXAHXGZ-XWIASGKRSA-N 303.318 -0.147 30 20 DBED C#CCNC1CC2(C1)CC(NC(=O)C1CC(=O)NC(=O)C1)C2 965452338 LOLBNSVRGBKRTE-UHFFFAOYSA-N 303.362 -0.311 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC2(CN(C(=O)c3cncn3C)C2)C1 965467327 QLXGFAFXEZQLLH-NSHDSACASA-N 317.349 -0.367 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)C(C)(C)C(N)=O 969211417 YDJLPWIWMUEAFF-GARJFASQSA-N 306.366 -0.141 30 20 DBED C[C@@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)[C@@H]1CCC(=O)NC1)C2 969816833 FXQBLSIYVNTMFF-RNJOBUHISA-N 318.377 -0.126 30 20 DBED O=C(Cn1ncnn1)N1CC[C@@H]2CN(C(=O)C#CC3CC3)[C@@H]2C1 972086788 WPTWKJWKWWDFPY-CHWSQXEVSA-N 314.349 -0.854 30 20 DBED C=CCN1C[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)C(C)(C)C1 977538864 JUIDECKYUBUBML-GFCCVEGCSA-N 307.398 -0.097 30 20 DBED C#CCCN1C[C@H]2[C@H](CNC(=O)c3nccnc3C(N)=O)[C@H]2C1 979064919 VRYCZDMBRJUKQX-CNDDSTCGSA-N 313.361 -0.494 30 20 DBED C=C(C)CN[C@H]1CCN(C(=O)CN2CCN(C)C(=O)C2)[C@H]1C 986443155 YSVZSZDXZRZUMX-KBPBESRZSA-N 308.426 -0.085 30 20 DBED C#Cc1ccc(C(=O)N2CC(NC(=O)c3nccnc3N)C2)nc1 990539742 ADVRRZRNZXZOAR-UHFFFAOYSA-N 322.328 -0.311 30 20 DBED N#Cc1cc(C(=O)NC2CN(C(=O)c3cc[n+]([O-])cc3)C2)c[nH]1 990921264 UJRYWJFOCMIJDP-UHFFFAOYSA-N 311.301 -0.226 30 20 DBED O=C(Cc1cnoc1)N[C@H]1CCN(C(=O)C#CC2CC2)C[C@H]1O 991699424 UCOPKUXEUQOEFM-UONOGXRCSA-N 317.345 -0.292 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2CN(C(=O)C(N)=O)C[C@]2(C)C1 993342771 JTPHNYMVOVPAKM-YMEQNVIZSA-N 321.377 -0.630 30 20 DBED C#CCCN1CCC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)[C@H]1C 994484629 IZTPSPXXEOMTOU-VXGBXAGGSA-N 318.381 -0.631 30 20 DBED N#Cc1ccc(C(=O)N2CC(NC(=O)[C@@H]3CC[C@@H]3C(N)=O)C2)[nH]1 997406194 QHAAOXHPRPPUJP-WDEREUQCSA-N 315.333 -0.662 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)CC(N)=O)CCO2)C1 1007685171 NUVAXHTXPUZCKV-MRXNPFEDSA-N 323.393 -0.096 30 20 DBED C=C(Cl)CN1CCC[C@H](NC(=O)Cn2ncn(C)c2=O)C1 1007699990 RHZYWZFMURUXTI-NSHDSACASA-N 313.789 -0.085 30 20 DBED C[C@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(CCN1C(=O)CNC1=O)C2 1017419314 VVRGLFPMZJGQJH-WOPDTQHZSA-N 319.365 -0.627 30 20 DBED Cc1nn[nH]c1C(=O)N1CCC2(C1)CN(C(=O)[C@H](C)C#N)C2 1019364261 ASAMBEQWJCJFIQ-SECBINFHSA-N 302.338 -0.053 30 20 DBED N#CCN[C@H]1CCN(C(=O)c2cn(C[C@@H]3CCOC3)nn2)C1 1019577751 GIUDPZDRTDNOFH-RYUDHWBXSA-N 304.354 -0.358 30 20 DBED C=C(C)C(C)(C)C(=O)N1CC[C@H]2OCCN(C(=O)C(N)=O)[C@@H]2C1 1019907696 GWOGVNPGJTYTNJ-VXGBXAGGSA-N 323.393 -0.098 30 20 DBED C[C@H]1[C@@H](NC(=O)c2cc(=O)n(C)cn2)CCN1C(=O)[C@H](C)C#N 1020536859 FDXITXUCAQPJFI-VWYCJHECSA-N 317.349 -0.341 30 20 DBED CC#CCN1[C@H]2CC[C@H]1CC(NC(=O)CN1CCNC(=O)C1)C2 1021347680 LVIXKBFZTCQDJH-GJZGRUSLSA-N 318.421 -0.447 30 20 DBED CC#CCN1CCC[C@@H]1CNC(=O)c1cn(C)c(=O)n(C)c1=O 1028179128 XFIOJDNSNKLLER-GFCCVEGCSA-N 318.377 -0.699 30 20 DBED C=C(C)CN1CC[C@@H](N(C)C(=O)CN2C(=O)C(=O)N(C)C2=O)C1 1033468849 HSLYIIOYYXGMIG-LLVKDONJSA-N 322.365 -0.484 30 20 DBED C#CCN1CCCC[C@@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)C1 1034471361 HRXJFODWAZOYMF-GFCCVEGCSA-N 320.393 -0.079 30 20 DBED Cn1cnc2c(C(=O)NC[C@@H]3CN(CC#N)CCO3)ccnc21 1035513152 SKHLZYIXDMBDKP-LLVKDONJSA-N 314.349 -0.078 30 20 DBED CNC(=O)c1cccc(C(=O)NC[C@@H]2CN(CC#N)CCO2)n1 1035592057 FVWZKCOXTKAWJB-LLVKDONJSA-N 317.349 -0.605 30 20 DBED CC[C@H]1CN(C(=O)CN2C(=O)CN(C)C2=O)CC[C@H]1NCC#N 1037983041 DTAYSLIUCXXFGN-NWDGAFQWSA-N 321.381 -0.379 30 20 DBED C[C@@H]1CCO[C@@H]1C(=O)N1CC[C@](O)(CNC(=O)C#CC2CC2)C1 1039684610 BDRPGKKTLSVGKJ-PVUWLOKVSA-N 320.389 -0.096 30 20 DBED CC#CCN1[C@H]2CCC[C@H]1CN(C(=O)CN1CCNC(=O)C1)C2 1039827005 HJRYSMYTUWYMMZ-GJZGRUSLSA-N 318.421 -0.493 30 20 DBED COCC(=O)N1CC[C@@H]2OCCN(c3cncc(C#N)n3)[C@H]2C1 1039990828 YOJGKKIFGXXYCO-STQMWFEESA-N 317.349 -0.199 30 20 DBED C=CC(C)(C)C(=O)NC[C@]1(O)CCN(C(=O)c2cnn[nH]2)C1 1040490798 MHQXIHYMGLDMFS-CQSZACIVSA-N 307.354 -0.290 30 20 DBED C#CCCCCC(=O)NCC1(O)CN(C(=O)CNC(C)=O)C1 1042659097 ZREBWCRXEVWTRE-UHFFFAOYSA-N 309.366 -0.994 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)C[C@H]2CCC(=O)N2)C1 1043841659 KXAIDDDELIRYFV-LLVKDONJSA-N 323.393 -0.443 30 20 DBED N#Cc1nccc(N2C[C@H](O)[C@H](NC(=O)c3cocn3)C2)n1 1043874479 LYKROWYHVJDENY-SCZZXKLOSA-N 300.278 -0.684 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)CCC(F)F)C1 1043915481 IRIYGQBSRLGOJR-JTQLQIEISA-N 318.320 -0.241 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)[C@@]2(C)CCNC2=O)C1 1044470082 KPFHKJDESCWHFQ-HNNXBMFYSA-N 323.393 -0.586 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)c2cc[n+]([O-])cc2)C1 1044479017 QMPHRVKGIKDHTD-UHFFFAOYSA-N 319.361 -0.165 30 20 DBED C=C[C@H](C)[C@H](C)C(=O)NCC1(O)CN(C(=O)Cn2nccn2)C1 1044979575 GUPBQHAKYUFBCA-RYUDHWBXSA-N 321.381 -0.574 30 20 DBED C=CCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@@H]2C(=O)OC)C1 1045451468 RSRRZZSRHQFYAK-NEPJUHHUSA-N 324.377 -0.159 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)CC[C@H]2CCOC2)C1 1045539888 ARCZOWFBRQJXBP-RYUDHWBXSA-N 309.366 -0.348 30 20 DBED CC(C)(C(N)=O)C(=O)N1CCN([C@H]2CCN(CC#N)C2)CC1 1046036779 FWIAYTZPJWWNMO-LBPRGKRZSA-N 307.398 -0.760 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)[C@H](C)[C@@H]2CCC(=O)N2)C1 1047048636 YTBRGLKYMCWIBB-NEPJUHHUSA-N 323.393 -0.443 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@@H](N(C)C(=O)CN2CCCC2=O)C1 1047296669 PXAYPLXNRMFRIC-RYUDHWBXSA-N 315.801 -0.135 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)Cn2ccc(C)cc2=O)C1 1047550419 ZKPRNLQMHZZARS-KBPBESRZSA-N 305.378 -0.154 30 20 DBED N#CCN1C[C@H]2CN(C(=O)[C@@H]3CN4CCC[C@@H]4CO3)C[C@H]2C1 1048833291 NCQHRPLCOZHJLU-BARDWOONSA-N 304.394 -0.237 30 20 DBED C#CCN1C[C@H]2CN(C(=O)C[C@H]3CCS(=O)(=O)C3)C[C@H]2C1 1048923882 IPKFBBNHPIEBEN-MCIONIFRSA-N 310.419 -0.165 30 20 DBED C=C(C)CN1C[C@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@H]2C1 1049054231 MHUONMRMFZWCOF-RFQIPJPRSA-N 307.394 -0.014 30 20 DBED C#CCCN1C[C@H]2CN(C(=O)CN3C(=O)CN(C)C3=O)C[C@H]2C1 1049205026 DHUGPVQMEMXBDG-BETUJISGSA-N 318.377 -0.706 30 20 DBED Cc1nccn1CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)C#N)C1 1049402587 VICLBZBNBVEFHU-WXHSDQCUSA-N 319.365 -0.619 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CCN2CC(N)=O 1049529532 OMXXQEMQOWFHQB-ZNMIVQPWSA-N 318.421 -0.365 30 20 DBED C=CCOCC(=O)N1CC[C@@H]([C@H](C)NC(=O)Cc2nc[nH]n2)C1 1050306324 WNQIETFYCJKXAO-NWDGAFQWSA-N 321.381 -0.097 30 20 DBED C=CCn1cc(C(=O)N2CC3(CCN(CCO)CC3)C2)nn1 1050692207 RGNOZEORAVGDLC-UHFFFAOYSA-N 305.382 -0.006 30 20 DBED CC#CCN1CCOC[C@@H]1CNC(=O)[C@@H]1CCN(C(C)=O)C1 1051225124 FCMVSYRZCDNGMZ-CABCVRRESA-N 307.394 -0.305 30 20 DBED N#Cc1cncc(N2CC[C@H](NC(=O)c3cocn3)[C@@H](O)C2)n1 1051637920 JXEPDFAMMAZHOK-JQWIXIFHSA-N 314.305 -0.294 30 20 DBED C[C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1CNC(=O)C#CC1CC1 1051923175 VSELCPCLTNVHDY-DGCLKSJQSA-N 316.365 -0.703 30 20 DBED CN1CC[C@@H](C(=O)N2CC[C@@H](N3CCN(CC#N)CC3)C2)C1 1052117028 DKVJVYVZZNWGEF-HUUCEWRRSA-N 305.426 -0.320 30 20 DBED C=CCOCC(=O)N1C[C@@H](C)[C@@H](CNC(=O)C2(C(N)=O)CC2)C1 1052220302 IOJMGHARGUYMTF-NEPJUHHUSA-N 323.393 -0.335 30 20 DBED C#CCCN1CCC[C@@H](NC(=O)Cn2c(O)nnc2O)CC1 1052899106 MGTMQAQPWZRHGD-LLVKDONJSA-N 307.354 -0.317 30 20 DBED N#Cc1ccc(CN2CC3(C2)CN(C(=O)C(N)=O)CCO3)s1 1053404727 SZTOCVQOGWKZNR-UHFFFAOYSA-N 320.374 -0.482 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)c3cn(C)ccc3=O)CO2)C1 1053867259 FSRHWAMXYUKVTO-ZDUSSCGKSA-N 315.373 -0.018 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)[C@@H]3CCNC(=O)CC3)CO2)C1 1053881438 JGMWTNSGJHKYBW-UONOGXRCSA-N 319.405 -0.115 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CNC(N)=O 1054529345 WZLNZXVONHPHIU-WISYIIOYSA-N 321.381 -0.300 30 20 DBED CN1CCOC[C@@H]1C(=O)N1CCN(c2cncc(C#N)n2)CC1 1055754048 KYLCJWMGZVNVBX-CYBMUJFWSA-N 316.365 -0.673 30 20 DBED C[C@@H](C#N)C(=O)N[C@]1(CO)CCCN(C(=O)CN2CCCC2)C1 1056096608 JKYULNCNZMNLAG-XJKSGUPXSA-N 322.409 -0.288 30 20 DBED Cn1cc(C(=O)N[C@H]2[C@@H]3CN(c4ccc(C#N)nn4)C[C@@H]32)cn1 1056135474 PLVXVVCZCDJMRQ-IMRBUKKESA-N 309.333 -0.054 30 20 DBED N#Cc1ccc(N2C[C@H]3C(NC(=O)Cn4cncn4)[C@@H]3C2)nc1 1056219270 ZZGPSUCZCMRWHX-VXGBXAGGSA-N 309.333 -0.204 30 20 DBED N#Cc1nccnc1N1C[C@@H]2C(NC(=O)[C@@]34COC[C@@H]3C4)[C@H]2C1 1056451682 XFNJXYCWDLTRJF-YPIXOSSWSA-N 311.345 -0.064 30 20 DBED CCc1cc(C(=O)N(CCO)CCNC(=O)[C@H](C)C#N)n[nH]1 1057037713 LNYQTDOEZMVHSN-SNVBAGLBSA-N 307.354 -0.318 30 20 DBED C=CCCO[C@@H](C)C(=O)NCCN(CCO)C(=O)[C@H](C)OC 1057112953 UTAPRKHBRUSVKI-STQMWFEESA-N 316.398 -0.060 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)C[C@@](C)(O)C1CC1 1057375919 ASMLBIXEQORRCL-IAQYHMDHSA-N 311.382 -0.366 30 20 DBED CCn1nncc1C(=O)NCCN(CCO)C(=O)C#CC(C)C 1057517562 VXMMFVJEDFMYAZ-UHFFFAOYSA-N 321.381 -0.492 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)C12CCN(CC1)C2 1058162239 QMBTXQMCLLXOFJ-UHFFFAOYSA-N 309.410 -0.015 30 20 DBED CN1CCO[C@@H](C(=O)N[C@@H]2CCN(c3ccc(C#N)nc3)C2)C1 1058316638 DDGXTAYXHWYBBS-UKRRQHHQSA-N 315.377 -0.021 30 20 DBED N#Cc1cc(C(=O)N[C@H]2CCN(c3nccn4nnnc34)C2)c[nH]1 1058320882 NRJHRJYIRNHIBH-JTQLQIEISA-N 323.320 -0.272 30 20 DBED Cc1ncc(C(=O)N(CCO)CCNC(=O)[C@H](C)C#N)c(C)n1 1058371158 KMMAQKJZIBLWRO-SNVBAGLBSA-N 319.365 -0.196 30 20 DBED O=C(C#CC1CC1)NCCN(CCO)C(=O)c1csc(O)n1 1058462526 XXZDWSRRWJWQDH-UHFFFAOYSA-N 323.374 -0.187 30 20 DBED N#Cc1cnc(N2CC[C@@H](NC(=O)[C@@H]3CCCNC3=O)C2)cn1 1058467455 MIBCJRDXLGSTQL-ZYHUDNBSSA-N 314.349 -0.431 30 20 DBED N#Cc1ccc(N2CC[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)nn1 1058545168 QCAPDQRVGZNDDE-AXFHLTTASA-N 300.322 -0.835 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)[C@H]1CN2CCC1CC2 1058656963 NRFJALYZBXBHAC-JSGCOSHPSA-N 322.409 -0.575 30 20 DBED O=C(C#CC1CC1)NCCN(CCO)C(=O)Cc1cnc[nH]1 1058948390 WBXNZZYDQXVDEG-UHFFFAOYSA-N 304.350 -0.697 30 20 DBED CC(C)(C)C#CC(=O)N1CCOC[C@@H]1CNC(=O)CNC(N)=O 1061267697 SCMSYFBHDUFHOI-NSHDSACASA-N 324.381 -0.952 30 20 DBED C=CCCC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1COCCO1 1061323949 UTMGLMBBKFSVTQ-STQMWFEESA-N 312.366 -0.288 30 20 DBED C=CCOCC(=O)NC[C@H]1COCCN1C(=O)c1ccnn1C 1061420836 DMHXMNYOXCBHSG-LBPRGKRZSA-N 322.365 -0.420 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H]1COCCN1C(=O)CCC=C 1061515678 OTTOYZMYZMRKOY-ZDUSSCGKSA-N 321.377 -0.564 30 20 DBED C#CCCCC(=O)NC[C@@H]1COCCN1C(=O)CN(C)C(C)=O 1061535296 BXLPOLWFAGTHAD-CQSZACIVSA-N 323.393 -0.388 30 20 DBED CN(C(=O)[C@H]1CNC(=O)N1)[C@@H]1CCN(c2ccnc(C#N)n2)C1 1063024820 IOJRFZOMCQJJCB-NXEZZACHSA-N 315.337 -0.933 30 20 DBED N#Cc1nccnc1NC[C@H]1CCCC[C@H]1NC(=O)C(N)=O 1064189229 PNSWVEANNWNOEM-NXEZZACHSA-N 302.338 -0.080 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)[C@@]2(C)CCNC2=O)CCO1 1065620365 IUPQFXWDILTVQY-LRDDRELGSA-N 323.393 -0.178 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CCCN(C(=O)C2(NC(N)=O)CC2)CC1 1066475591 QLJPARXHQRYNLT-MNOVXSKESA-N 321.381 -0.156 30 20 DBED C=CCCC(=O)N1CCOC2(C1)CN(C(=O)[C@H]1C[C@H]1C(N)=O)C2 1068347880 HVBBUUZDOWPWPU-NEPJUHHUSA-N 321.377 -0.486 30 20 DBED Cn1nnc(C(=O)N[C@H]2C[C@H](CNc3cnc(C#N)cn3)C2)n1 1068566424 ISCPOQIEOFHQBA-KYZUINATSA-N 313.325 -0.508 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1COC2(C1)CN(C(C)=O)C2 1068868372 NFTFFIVDGXZZAY-KBPBESRZSA-N 323.393 -0.037 30 20 DBED C#CCCN1C[C@H]2C[C@@H]3CN(C(=O)c4cn(C)nn4)C[C@@]3(C1)O2 1070796676 LJACPIZLUSVBKV-XJKCOSOUSA-N 315.377 -0.246 30 20 DBED C[C@@H]1CN(C(=O)CN2CCOCC2)C[C@@]2(CCN(CC#N)C2)O1 1071156826 NNDAMLNNRPZHLQ-ZBFHGGJFSA-N 322.409 -0.466 30 20 DBED C[C@H]1CN(C(=O)CSCC#N)C[C@@H]1NC(=O)Cn1nccn1 1071661221 HJPIJEIGAVCXFL-QWRGUYRKSA-N 322.394 -0.502 30 20 DBED C=CCOCC(=O)N1C[C@H](C)[C@H](NC(=O)CCc2cnn[nH]2)C1 1071812854 WMLXWMZTIDHWLP-WCQYABFASA-N 321.381 -0.097 30 20 DBED C#CCCCC(=O)N1C[C@@H](NC(=O)c2nnn(C)n2)[C@H](C)C1 1071981359 MZZGIGZFHZPPQY-GHMZBOCLSA-N 304.354 -0.410 30 20 DBED C[C@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1NC(=O)C#CC(C)(C)C 1072543112 HMHHELHRNGGCHV-WDEREUQCSA-N 318.381 -0.164 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CCN(C(=O)C(N)=O)CC1(C)C 1073393872 QPIXNYARQMXYHL-GHMZBOCLSA-N 309.366 -0.747 30 20 DBED C=CCOCC(=O)N1CC[C@H](NC(=O)Cn2cnnn2)[C@@H](C)C1 1073692368 MAKRBXYFLBQVFF-RYUDHWBXSA-N 322.369 -0.771 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](NC(=O)CC(=O)NC)[C@@H](C)C1 1073910632 XALVNNBKDPHFQN-QWHCGFSZSA-N 323.393 -0.484 30 20 DBED C[C@@H]1C[C@@H](NC(=O)C#CC2CC2)CCN1C(=O)CCNC(N)=O 1074982957 ZUILWJMMEHIKRD-YPMHNXCESA-N 320.393 -0.046 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H](C)CCNC(=O)C1=COCCO1 1075503666 YXIDNOIVWIZNKR-RYUDHWBXSA-N 310.350 -0.076 30 20 DBED CC(=O)N(C)CC(=O)NCC[C@H](C)NC(=O)c1c[nH]c(C#N)c1 1075680208 IBFMKFIXDDBPDT-JTQLQIEISA-N 319.365 -0.011 30 20 DBED C#CCO[C@H](C)C(=O)NCC[C@H](C)NC(=O)CCn1cncn1 1076508591 ATHWVRPVAVJADQ-QWHCGFSZSA-N 321.381 -0.283 30 20 DBED C#CCO[C@@H](C)C(=O)NCC[C@H](C)NC(=O)c1c[nH]c(=O)cn1 1076509396 WMCPYXIOUOWINB-QWRGUYRKSA-N 320.349 -0.567 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)CN2CCCCCC2=O)C1 1078146835 CQXOLLKPUMHKQN-ZIAGYGMSSA-N 307.394 -0.426 30 20 DBED C=CCOCC(=O)N[C@@H](C)CCNC(=O)CCc1cnn[nH]1 1078525489 ZBVGJZKQGGVWJI-NSHDSACASA-N 309.370 -0.049 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@H](N(C)C(=O)COC)CC1 1078774890 HAMFIGXGAYSOGG-ZDUSSCGKSA-N 323.393 -0.388 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 1079690788 HIZGKKSKEDXIDZ-NTZNESFSSA-N 316.365 -0.277 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1 1080439313 PHDNZXGLXIPZGI-LPWJVIDDSA-N 308.382 -0.418 30 20 DBED N#Cc1cc(C(=O)N2C[C@H](O)[C@H](CNC(=O)C(F)F)C2)c[nH]1 1081149321 HJHNPOLZMVROOK-SCZZXKLOSA-N 312.276 -0.299 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)Cn2cccn2)C[C@@H]1O 1081332374 FGCGDHDGZNRUAA-OLZOCXBDSA-N 306.366 -0.215 30 20 DBED C=CCCOCC(=O)NC[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1081568852 IEESZDIXRZYNKY-LSDHHAIUSA-N 320.389 -0.072 30 20 DBED C=CCCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2cnn(C)n2)C1 1081598028 MLMYWYLUOBULKE-DGCLKSJQSA-N 321.381 -0.280 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)Cc2cncn2C)C1 1081619170 XQSPYWJFRPOSLS-TZMCWYRMSA-N 320.393 -0.136 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2nocc2C)C1 1081773838 HAKOSCMSPFSQHF-VXGBXAGGSA-N 323.349 -0.265 30 20 DBED C=C(C)CN1CC[C@@H]2CN(C(=O)Cn3cnc(C(N)=O)n3)[C@@H]2C1 1084356317 BPSRDWPCZZLDCR-VXGBXAGGSA-N 318.381 -0.514 30 20 DBED C=CCn1cc(C(=O)N(C)C[C@H]2CCN2[C@@H]2CCNC2=O)nn1 1085862341 WOIWVCDHCAINIQ-DGCLKSJQSA-N 318.381 -0.501 30 20 DBED CC#CCN1CC[C@H]1CN(C)C(=O)[C@@H]1CN(C(C)=O)CCO1 1085952423 BOHSOBKMHDQQNA-GJZGRUSLSA-N 307.394 -0.210 30 20 DBED C#CCN[C@H]1C[C@@H](CNC(=O)[C@@H]2CCc3nnnn3CC2)C1 1086204225 JBRWYZHCABGNRT-UPJWGTAASA-N 302.382 -0.257 30 20 DBED N#CCN1CC[C@@H]2CN(C(=O)[C@H]3CCCS3(=O)=O)C[C@@H]2C1 1088206425 QHCJTPJRJLTSGE-FRRDWIJNSA-N 311.407 -0.133 30 20 DBED N#Cc1cnc(N2C[C@@H](O)[C@H](NC(=O)CC(F)(F)F)C2)cn1 1090377851 NSAIVRXRRXHFQC-RKDXNWHRSA-N 315.255 -0.034 30 20 DBED CC(C)OCC(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1O 1090380071 XUYJOGQHWNAZEK-VXGBXAGGSA-N 305.338 -0.561 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)c2nccnc2C(N)=O)[C@@H](O)C1 1090795412 WPTDKZUEUHFANF-MNOVXSKESA-N 319.365 -0.683 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2ccc(C(N)=O)cc2)[C@H](O)C1 1090803225 ZFJKRSFYEABHSU-LSDHHAIUSA-N 315.373 -0.026 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1091093234 TVPAIADDWYUHCP-TYNCELHUSA-N 317.349 -0.659 30 20 DBED N#Cc1cncc(N[C@H]2C[C@H](CNC(=O)CCNC(N)=O)C2)n1 1091456586 FKHOKZUVHITEAU-MGCOHNPYSA-N 317.353 -0.287 30 20 DBED CCc1nc(C#N)cc(NCCNC(=O)Cn2cnnc2O)n1 1093558579 CRYSYOZDFFCHNF-UHFFFAOYSA-N 316.325 -0.564 30 20 DBED CCc1nc(C#N)cc(NCCNC(=O)[C@@H]2CCC(=O)NC2)n1 1094257686 XPVZBDAKQMGQFW-SNVBAGLBSA-N 316.365 -0.035 30 20 DBED C#CCCN1CC(n2cc(CNC(=O)c3cnsn3)nn2)C1 1094277417 ILYNXVNMXNDFHF-UHFFFAOYSA-N 317.378 -0.060 30 20 DBED C#CCN1CC(n2cc(CNC(=O)c3ccnnc3C)nn2)C1 1094303244 ACQVONVXESSNRU-UHFFFAOYSA-N 311.349 -0.204 30 20 DBED CCN1CCO[C@@H](C(=O)NCCCN=c2cc[nH]c(C#N)n2)C1 1094447342 SJQDNAXNBZCPQF-GFCCVEGCSA-N 318.381 -0.591 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H]1CCc2nnc(O)n2C1 1095642216 PIBLBNPITLMBAS-RNJOBUHISA-N 315.377 -0.099 30 20 DBED C[C@@H](NC(=O)C(N)=O)[C@@H]1CCCN(c2cncc(C#N)n2)C1 1097548192 RJYDXPWEMAJTBL-NXEZZACHSA-N 302.338 -0.445 30 20 DBED C[C@H](CNC(=O)C[C@@H]1CCNC1=O)Nc1ccc(C#N)nn1 1098097711 KZCOBRQHXWJQIA-ZJUUUORDSA-N 302.338 -0.209 30 20 DBED C[C@@H](CNC(=O)CN(C)C(=O)C1CC1)N=c1cc[nH]c(C#N)n1 1098329968 TYULYTCHUXDESC-JTQLQIEISA-N 316.365 -0.445 30 20 DBED C#CCN(CCO)C1CCN(C(=O)[C@H]2CCCCC(=O)N2)CC1 1098478115 WAMWNIDFDNWKRB-OAHLLOKOSA-N 321.421 -0.036 30 20 DBED N#Cc1nc(=N[C@H]2CCC[C@H](NC(=O)CC(N)=O)C2)cc[nH]1 1098612769 KXNAWIRMSNTMAL-UWVGGRQHSA-N 302.338 -0.515 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2coc(OC)n2)[C@@H](O)C1 1099930202 BXTSVODQMCGHQT-YPMHNXCESA-N 323.349 -0.502 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CCCC(=O)NCC)[C@H](O)C1 1100078183 DXHXGGDRAZFWRQ-ZIAGYGMSSA-N 309.410 -0.133 30 20 DBED CN(CCNC(=O)CCS(C)(=O)=O)c1ccncc1C#N 1100394249 ULERSDMHOSDNET-UHFFFAOYSA-N 310.379 -0.060 30 20 DBED CC#CCNC1CC(CNC(=O)CS(=O)(=O)CCOC)C1 1100451781 GBHWWCMEWYHSDX-UHFFFAOYSA-N 316.423 -0.445 30 20 DBED N#Cc1nccc(N(CCNC(=O)Cc2nc[nH]n2)C2CC2)n1 1101385166 JNBJOGSFIGSVCI-UHFFFAOYSA-N 312.337 -0.206 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)c1ccc(=O)n(C)c1 1102040082 RVCNPMLTKSUCCZ-UHFFFAOYSA-N 312.333 -0.347 30 20 DBED CC(=O)N(C)CC(=O)N(C)[C@@H]1CCN(c2ccnc(C#N)n2)C1 1102671256 IGUFNUAEOHWSJT-GFCCVEGCSA-N 316.365 -0.136 30 20 DBED C[C@H](CNc1cnc(C#N)cn1)N(C)C(=O)[C@H]1CCC(=O)N1 1104496239 LUJUIJILQUVJMZ-MWLCHTKSSA-N 302.338 -0.114 30 20 DBED C[C@H](CNc1nccnc1C#N)N(C)C(=O)[C@H]1COC(=O)N1 1104545587 RLDQVAWWVPHXJL-PSASIEDQSA-N 304.310 -0.285 30 20 DBED C#CCCNCc1cn(C2CN(C(=O)C3(C(N)=O)CC3)C2)nn1 1105315311 GUTACUJYYUCMQA-UHFFFAOYSA-N 316.365 -0.960 30 20 DBED CC#CCNCc1cn(C2CN(C(=O)c3ccn(C)n3)C2)nn1 1105372837 ZPPOJHXBXIOART-UHFFFAOYSA-N 313.365 -0.178 30 20 DBED CCCN(C)CC(=O)NC[C@@H](O)CN=c1cc(C)[nH]cc1C#N 1105909672 LFSXYKYEXKPAAK-AWEZNQCLSA-N 319.409 -0.086 30 20 DBED Cc1nc(O)[nH]c1C(=O)NC[C@H](O)CNc1cncc(C#N)n1 1106000527 HEQGITDMXOWIGQ-SECBINFHSA-N 317.309 -0.712 30 20 DBED Cc1cnn(C)c1C(=O)NC[C@H](O)CN=c1cc[nH]cc1C#N 1106059728 HXZMZMQUAQNBSC-GFCCVEGCSA-N 314.349 -0.380 30 20 DBED C[C@@H]1OCCO[C@@H]1C(=O)NC[C@H](O)CNc1cncc(C#N)n1 1106161258 KRITVMXEQYHIAK-NDMJEZRESA-N 321.337 -0.959 30 20 DBED CO[C@@H](C(=O)NCc1cn(C2CN(CC#N)C2)nn1)C1CC1 1107165130 OTXFUMFGBFXIOZ-CYBMUJFWSA-N 304.354 -0.300 30 20 DBED CC(=O)N1CC(C(=O)NC/C=C/CNc2nccnc2C#N)C1 1107168916 PTFWXBMWZPVGQY-NSCUHMNNSA-N 314.349 -0.089 30 20 DBED COCC(=O)NC[C@]12CCC[C@H]1N(CC(=O)NCC#N)CC2 1107243654 DRQQTIKFOMAMSO-IUODEOHRSA-N 308.382 -0.367 30 20 DBED C[C@H](CNc1cncc(C#N)n1)NC(=O)CN1CCOCC1 1107710999 PHLLTQBZXMHKNH-LLVKDONJSA-N 304.354 -0.403 30 20 DBED C#CCNC(=O)CN1CCO[C@](C)(CNC(=O)[C@H](C)C#N)C1 1107821980 YVHDSWUPLWYGTM-IUODEOHRSA-N 306.366 -0.897 30 20 DBED C#CCCN1CCO[C@@](C)(CNC(=O)[C@@H]2CCNC(=O)C2)C1 1107864392 STTUHITZZZUBRN-CJNGLKHVSA-N 307.394 -0.257 30 20 DBED C[C@@]1(CNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)CN(CC#N)CCO1 1108093744 GPQBTMURXZMZQQ-TTZDDIAXSA-N 323.393 -0.231 30 20 DBED CNS(=O)(=O)CCC(=O)N1C[C@H]2C[C@@H](NCC#N)C[C@H]1C2 1108689262 WQXAGJVDKVINTM-QJPTWQEYSA-N 314.411 -0.582 30 20 DBED C[C@@H](CNc1cnc(C#N)cn1)NC(=O)[C@H]1CN(C)C[C@@H](C)O1 1108769239 XBSXSDOIQRNIDA-DMDPSCGWSA-N 318.381 -0.016 30 20 DBED C[C@H](CN(C)c1ccnc(C#N)n1)NC(=O)C[C@H]1CCC(=O)N1 1109006777 LEWDSTXPUKUJMF-GHMZBOCLSA-N 316.365 -0.042 30 20 DBED C[C@H](CN(C)c1nccnc1C#N)NC(=O)Cn1nccn1 1109103758 MVGQBJMPNWOFSE-SNVBAGLBSA-N 300.326 -0.419 30 20 DBED C[C@H](CN(C)c1ccc(C#N)cn1)NC(=O)[C@H]1CN(C)C(=O)N1 1109193858 KTGJQCVTTYHYNZ-ZYHUDNBSSA-N 316.365 -0.082 30 20 DBED N#Cc1cncc(NC2(CNC(=O)C(=O)NCC(F)F)CC2)n1 1110276717 LHGKYUOXCPTWDP-UHFFFAOYSA-N 324.291 -0.210 30 20 DBED CNC(=O)NCC(=O)NCC1(Nc2cnc(C#N)cn2)CC1 1110380633 BNEWYDTZTPSSAT-UHFFFAOYSA-N 303.326 -0.662 30 20 DBED C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1nnnn1C 1110391514 QTMQJNRRESQZLD-UTUOFQBUSA-N 306.370 -0.366 30 20 DBED CO[C@H](C)C(=O)N[C@]1(CO)CCCN(c2nccnc2C#N)C1 1111336069 HEJFUBZCKKLXJG-IAQYHMDHSA-N 319.365 -0.169 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1ccn(C)n1 1111407682 VLSJBYYRACDNAY-BNOWGMLFSA-N 315.377 -0.495 30 20 DBED N#Cc1nccnc1NCCN(CCO)C(=O)c1ccon1 1111438162 MZUCQFRJTKGWJR-UHFFFAOYSA-N 302.294 -0.117 30 20 DBED CN(CCCN(C)c1cncc(C#N)n1)C(=O)[C@H]1CNC(=O)N1 1112168538 SYGDOFBYUABDCS-LLVKDONJSA-N 317.353 -0.686 30 20 DBED C[C@@H]1CN(C(=O)CC(=O)N(C)C)C[C@@H]1N=c1cc[nH]c(C#N)n1 1112338167 MMWOUXPXTOHGML-MNOVXSKESA-N 316.365 -0.493 30 20 DBED CCOCC(=O)NC[C@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1112693046 WIGAGZZYCWYLNT-JQWIXIFHSA-N 305.338 -0.702 30 20 DBED CCCOCC(=O)NC[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1O 1112709504 KOURHUZLYQFEBB-DGCLKSJQSA-N 319.365 -0.312 30 20 DBED C#CCCCC(=O)N[C@H]1[C@@H]2CN(CC(=O)NC(=O)NC)C[C@@H]21 1114199485 VNOIVRRHELOUKD-YABSGUDNSA-N 306.366 -0.708 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3n[nH]cc3C)[C@H]2C1 1114231435 AWTGMZAMHMAVPH-YABSGUDNSA-N 303.366 -0.320 30 20 DBED CCOCCNC(=O)CN1C[C@H]2C(NC(=O)C#CC3CC3)[C@@H]2C1 1114252759 BSSIBJAAZDDFOH-ZIAGYGMSSA-N 319.405 -0.401 30 20 DBED C#CCOCCC(=O)NC1[C@H]2CN(CCn3cccn3)C[C@H]12 1114263533 WTQNIDJPGVHOJE-KBPBESRZSA-N 302.378 -0.031 30 20 DBED COCC#CCN1C[C@@H]2C(NC(=O)CCN3CCOCC3)[C@H]2C1 1114979973 IGQWTQVUBDLJPD-GJZGRUSLSA-N 321.421 -0.595 30 20 DBED CCOCCOCC(=O)N[C@H]1[C@@H]2CN(CC#CCOC)C[C@@H]21 1115308363 AFUIYROUPOQPIS-FOLVSLTJSA-N 310.394 -0.264 30 20 DBED C[C@@H](CN(C)C(=O)Cn1cnnn1)Nc1ncccc1C#N 1115602330 JAFLSDBKPSJEAI-JTQLQIEISA-N 300.326 -0.101 30 20 DBED O=C(NCCN/C(O)=C1/N=CC=CC1=O)N[C@@H](CO)CC1CC1 1116825568 ILSRHCVICPQMCQ-LYZGCBJASA-N 322.365 -0.027 30 20 DBED Cc1ccc(C#N)c(N[C@H](CO)CNC(=O)[C@@H]2COCCO2)n1 1121136814 QZPVLIYKXUCJPN-STQMWFEESA-N 320.349 -0.434 30 20 DBED CN1CCO[C@@H](C(=O)NC[C@@H](CO)Nc2ccc(C#N)cn2)C1 1121248892 FDXQXIJRFQJUOE-QWHCGFSZSA-N 319.365 -0.827 30 20 DBED C=CCO[C@H](C)C(=O)NC[C@H](CO)N=c1cc[nH]cc1C#N 1121748948 IPUKJBIPHZBOPX-DGCLKSJQSA-N 304.350 -0.145 30 20 DBED Cc1ncc(CC(=O)NC[C@H](CO)Nc2cncc(C#N)n2)o1 1122189147 CQVAXXNTKNRNFT-LLVKDONJSA-N 316.321 -0.224 30 20 DBED C[C@@]1(C(=O)NC[C@@H](CO)Nc2ccc(C#N)nc2)CNC(=O)C1 1122253863 HTOVMLIXJDSAAT-WFASDCNBSA-N 317.349 -0.632 30 20 DBED Cc1cc(=N[C@@H]2C[C@@H](C)N(C(=O)CNC(N)=O)C2)c(C#N)c[nH]1 1123147831 SYRUIMMILPUBIW-ZYHUDNBSSA-N 316.365 -0.247 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)c1cncnc1C 1124118952 GJBYCMMAYQQWHN-UHFFFAOYSA-N 320.353 -0.884 30 20 DBED CCO[C@@H]1C[C@H]1C(=O)NCCNCC(=O)N(CC)CCC#N 1124139526 HMQAJUHOLKHBLG-CHWSQXEVSA-N 310.398 -0.121 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)C1=COCCC1 1124162244 BTVYBZKGAUNFCA-LBPRGKRZSA-N 317.349 -0.304 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C[C@@H](O)CN=c1cc[nH]c(C#N)n1 1124520290 RHPRUHWOFWKMJL-RYUDHWBXSA-N 317.349 -0.960 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1ccnn1CC(C)C 1128459400 CMROVPRRHIKREB-CYBMUJFWSA-N 319.409 -0.004 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1ncnc2ccsc12 1128955401 QIORFJBOKSJPRK-UHFFFAOYSA-N 318.362 -0.350 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)C[C@@](C)(O)C=C)CC1 1131357282 OHLHEZNLBUJUQV-INIZCTEOSA-N 307.394 -0.403 30 20 DBED COCCOCC(=O)N1C[C@@H](C)O[C@]2(CCN(CC#N)C2)C1 1131641967 KIFBCGVKZNWCEP-HIFRSBDPSA-N 311.382 -0.135 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)C[C@H](C)n1ccc(C)n1 1132308247 AANXOLDHXZAJES-UONOGXRCSA-N 319.409 -0.014 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)Cn1cccn1 1133675727 UWMHMSKHJGLDSN-OLZOCXBDSA-N 305.382 -0.495 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)C[C@H](C)NCc1ncnn1C 1134130680 LGZCSDJYMOMNFH-RYUDHWBXSA-N 320.397 -0.673 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)CCN1CCOCC1 1135341420 VSJHQMBOFBADNW-ZDUSSCGKSA-N 312.414 -0.895 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)c1ccncn1 1135542742 QZJQDRJZKRMRFJ-UHFFFAOYSA-N 304.354 -0.442 30 20 DBED C=C(C)CN[C@@H](C)C[C@H](C)NC(=O)CN1C(=O)C(=O)N(C)C1=O 1135592103 CARLGYJTVTVVBI-QWRGUYRKSA-N 324.381 -0.144 30 20 DBED C#CCN1CCC(CCOC)(NC(=O)[C@H]2C[C@H]2C(N)=O)CC1 1151311882 BJDABRMYLIFGDV-OLZOCXBDSA-N 307.394 -0.272 30 20 DBED C#CCN1CCC(C(=O)NCCN[C@@H]2CCN(C)C2=O)CC1 1152330320 LSIFQTIIWCLRJF-CQSZACIVSA-N 306.410 -0.732 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)c1snnc1C 1154527922 IXQJRXHXANYEON-SNVBAGLBSA-N 309.395 -0.306 30 20 DBED C=CCCC(=O)NCCCNCC(=O)NCC(=O)N1CCCC1 1155601986 HYIGFSVJKKXHDH-UHFFFAOYSA-N 324.425 -0.213 30 20 DBED COCCOC[C@@H](O)CNCCCNC(=O)c1ccc(C#N)[nH]1 1156690458 CXLTUOXCHYXCID-ZDUSSCGKSA-N 324.381 -0.380 30 20 DBED C#CCCN1CCC(CNC(=O)Cn2cnnn2)(COC)CC1 1162091407 MQDMCTAUUDDJMZ-UHFFFAOYSA-N 320.397 -0.459 30 20 DBED Cn1nnnc1CNCC1(CCNC(=O)CSCC#N)CC1 1163482351 HPTSCMMPEXTUKT-UHFFFAOYSA-N 323.426 -0.157 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1c(O)nnc(C)c1C 1163716421 DHLBJFMFSFJHOT-UHFFFAOYSA-N 319.365 -0.742 30 20 DBED C=CCN1CC[C@H](NCC2(CCNC(=O)C(N)=O)CC2)C1=O 1166929223 MXQZQGZQZIONFQ-NSHDSACASA-N 308.382 -0.865 30 20 DBED COCC#CCNCCCNC(=O)[C@@H]1CCCS(=O)(=O)C1 1167535610 PTCNHKCJPIYAEE-CYBMUJFWSA-N 316.423 -0.443 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)CCCCN[C@H](C)C(=O)NC 1170310370 HFSKGLRWSFRXIP-CHWSQXEVSA-N 324.425 -0.475 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)C3(C(=O)NC)CCC3)C[C@H]21 1177140156 WMNLZNOFHLJTQE-KGLIPLIRSA-N 319.405 -0.162 30 20 DBED C[C@H](C(=O)NCCCNCC(=O)NCC#N)C1CCOCC1 1177591200 ICGHPYDZXAFYJF-LBPRGKRZSA-N 310.398 -0.215 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CCCN2C)[C@H]1C 1178357374 ZKVFINRDBVVFEW-MELADBBJSA-N 306.410 -0.591 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](NCCOCC=C)[C@@H]1C 1178508722 QHQQMIIMFHYAKN-KBPBESRZSA-N 307.394 -0.093 30 20 DBED C#CCNCc1cn([C@@H]2CCCN(C(=O)c3cnon3)C2)nn1 1186010764 CSXGAXFATUBRIL-GFCCVEGCSA-N 315.337 -0.139 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC[C@@H](NCC(=O)NCC)C1 1186103821 MTKIQCHRPYZSPO-ZIAGYGMSSA-N 324.425 -0.216 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)CCCS(C)(=O)=O)C1 1186280506 CFCWVTSSERHTCC-CYBMUJFWSA-N 316.423 -0.349 30 20 DBED C=CCC[C@H](C)N1C[C@@H](O)[C@H](NC(=O)Cn2cnnc2O)C1 1192321398 YTSSKKPPPWXFML-QJPTWQEYSA-N 309.370 -0.500 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC[C@@H](N(C)CC(=O)NC)C1 1192687408 GHBSNAHJEPQFDS-ZIAGYGMSSA-N 324.425 -0.264 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(CC(=O)N[C@@H](C)C2CC2)C[C@H]1O 1192805144 SVGWRAOXUFXZIP-NWANDNLSSA-N 321.421 -0.278 30 20 DBED C=C(C)CN(C)[C@H]1CCN(C(=O)CS(=O)(=O)N(C)C)C1 1193777175 MXWDLONOOIVIPZ-LBPRGKRZSA-N 303.428 -0.013 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)CNC(=O)C2CCCCC2)C1 1198345829 VLWASZBXTCWNTK-HUUCEWRRSA-N 321.421 -0.133 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2csnn2)C[C@H]1O 1199312479 GBLCCKPHRUWISQ-YUSALJHKSA-N 312.395 -0.210 30 20 DBED C#CCOCCC(=O)N1CCCO[C@@H](CN[C@H](C)C(N)=O)C1 1200478800 MAADALIDYSNYCO-OLZOCXBDSA-N 311.382 -0.893 30 20 DBED C[C@H](CS(C)(=O)=O)C(=O)N1CCCO[C@@H](CNCC#N)C1 1202172726 FKGSIJDJGMIWMD-NEPJUHHUSA-N 317.411 -0.602 30 20 DBED CCS(=O)(=O)N[C@@H](C)C(=O)N1CCC[C@H](NCC#N)C1 1208108869 CTDYQHBRZTUMEG-QWRGUYRKSA-N 302.400 -0.582 30 20 DBED CN1CC[C@H](CC(=O)N2CCC[C@H](NCC(=O)NCC#N)C2)C1 1210674268 QKWYEYCEKFMHIH-KGLIPLIRSA-N 321.425 -0.451 30 20 DBED CO[C@@H]1CN(CC(=O)NC(C)C)C[C@H]1NC(=O)C#CC1CC1 1212246706 ZIWMAMXJJLRDAZ-ZIAGYGMSSA-N 307.394 -0.260 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(C[C@H]2CCNC(=O)CC2)C[C@@H]1O 1219539265 CQEGJUZDSAEMPV-KFWWJZLASA-N 321.421 -0.133 30 20 DBED C=C[C@@H](CC)CC(=O)N[C@@H]1CN(CCN2CCNC2=O)C[C@@H]1O 1220206139 ZIEXQYJGEQICTO-MJBXVCDLSA-N 324.425 -0.225 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)CNC(=O)c2cscn2)C1 1220701587 LMFGGSQZIJFZRW-PWSUYJOCSA-N 324.406 -0.390 30 20 DBED C[C@H](C#N)C(=O)NC1CCN(C[C@H](O)CN2CCCC2=O)CC1 1226640904 QWNMFZVGCXWKCZ-OCCSQVGLSA-N 322.409 -0.290 30 20 DBED CC#CCN[C@@H]1CCCC[C@H]1NC(=O)CN1CC(=O)N(C)C1=O 1229666914 QTIDGLFBBXSSCI-CHWSQXEVSA-N 320.393 -0.079 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)c1cnn(C)c1C 1230763281 WVHJOTRQEOPAOP-CYBMUJFWSA-N 317.393 -0.376 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@H]1CN(C)C(=O)CC(C)(C)O 1234039584 NLGUSRMYLLHTMP-STQMWFEESA-N 309.410 -0.182 30 20 DBED N#CCNC(=O)COC(=O)c1cc(S(N)(=O)=O)ccc1F 1251721287 WOLWZUIVILNVTN-UHFFFAOYSA-N 315.282 -0.730 30 20 DBED CCc1nncn1CCNC(=O)C(=O)N1CC[C@@](F)(C#N)C1 1261092983 WCXFNAQKCMYLAK-CYBMUJFWSA-N 308.317 -0.579 30 20 DBED N#CCN1CCC(NC(=O)C(=O)N2C[C@H]3COC[C@H]3C2)CC1 1261949356 ABWSASXPDXGILV-TXEJJXNPSA-N 306.366 -0.805 30 20 DBED C[C@@H]1[C@@H](NC(=O)CSCC#N)CCN1C(=O)Cn1cnnn1 1281123091 GJDPMVYTNFCTAH-ZJUUUORDSA-N 323.382 -0.965 30 20 DBED CC(C)NC(=S)NN=Cc1nc2c(c(O)nc(=O)n2C)n1C 1317978707 GTSLWSVJURVMTA-UHFFFAOYSA-N 323.382 -0.421 30 20 DBED CC(C)NC(=O)CN(C)C(=O)CCN/C(O)=C1\N=CC=CC1=O 1319259422 INQOAEDUDIHIPI-CCEZHUSRSA-N 322.365 -0.114 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccn(C)n1 1320136173 AMCJBZFCLGRHHH-UHFFFAOYSA-N 300.340 -0.924 30 20 DBED N#CC1(C(=O)NCCNS(=O)(=O)Cc2ccon2)CCC1 1322350578 FBYYXOUUONWFIV-UHFFFAOYSA-N 312.351 -0.096 30 20 DBED C#CCSCCNC(=O)C(=O)N1C[C@@H](C)O[C@@H](CO)C1 1323105823 ZOVUJSRQZTUNKA-GHMZBOCLSA-N 300.380 -0.923 30 20 DBED N#CCOc1cc(F)ccc1NC(=O)C(=O)NC(CO)CO 1323893758 IUQYJLXJFSYHFK-UHFFFAOYSA-N 311.269 -0.864 30 20 DBED CO[C@H]1CN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)C[C@H]1OC 1324564779 VAIXDDBGEWMIHQ-NQRCHRBVSA-N 323.349 -0.225 30 20 DBED CCS(=O)(=O)C[C@H](C)NC(=O)C(=O)NCCCCC#N 1324636402 WHKFWLALUCKCFB-JTQLQIEISA-N 303.384 -0.264 30 20 DBED COC(=O)C1(CNC(=O)C(=O)Nc2ccc(C#N)cn2)CC1 1324963524 AMCPWWUNTQRWIX-UHFFFAOYSA-N 302.290 -0.039 30 20 DBED CCONC(=O)CNC(=O)C(=O)Nc1cc(C)c(C#N)cn1 1329898061 LMXURAUUTIEYKM-UHFFFAOYSA-N 305.294 -0.616 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCNCC2)CCN1C1CC1 1333978428 GAOVZBBQVNJHAK-GXTWGEPZSA-N 319.409 -0.557 30 20 DBED C=C[C@H](C(=O)OC)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 1339933293 PFTBBUPURAEMFZ-VXGBXAGGSA-N 302.396 -0.481 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)NCc2cccc(C(N)=O)c2)CCO1 1345463241 DCHAVOFKJHQCFT-LBPRGKRZSA-N 316.317 -0.847 30 20 DBED CCN1CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)[C@H](C)C1 1363172341 GZHGVVAPUHQXDT-LLVKDONJSA-N 319.365 -0.237 30 20 DBED N#Cc1cn(CCC(=O)NC[C@@H](CO)CC2CC2)c(=O)nc1O 1363999003 STDOPKRMEBKANT-NSHDSACASA-N 320.349 -0.265 30 20 DBED Cn1c(=O)[nH]c(N2CCC[C@@H](c3nc[nH]n3)C2)c(C#N)c1=O 1364586416 GIGZGTNLTAGDEV-MRVPVSSYSA-N 301.310 -0.553 30 20 DBED COC(=O)NCC(=O)N1CC2(CCN(C(=O)[C@H](C)C#N)C2)C1 1371284295 FMKROOIYHKVVLQ-SNVBAGLBSA-N 308.338 -0.437 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)CCCn2cncn2)CC1 1389973285 PRPPJNJWULOYPN-NSHDSACASA-N 304.354 -0.017 30 20 DBED COC(=O)[C@@H]1C[C@H]1C(=O)N(C)CCNC(=O)c1cc(C#N)c[nH]1 1397890284 HWPSMIYNVJGMRT-GHMZBOCLSA-N 318.333 -0.116 30 20 DBED CCN(CCNC(=O)CCCS(N)(=O)=O)C(=O)[C@H](C)C#N 1398132012 WSGCFHSMDSQBCI-SNVBAGLBSA-N 318.399 -0.821 30 20 DBED C[C@H](C#N)C(=O)NCC1CN(CC(=O)NC[C@H]2CCCO2)C1 1400472929 OBUGZSBWLMZFGB-DGCLKSJQSA-N 308.382 -0.511 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CCN(C(=O)c2ccc(=O)n(C)n2)C1 1427523397 ZHIGRCQHNGELOI-MNOVXSKESA-N 317.349 -0.387 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)CCc2cnccn2)C1 1428817898 UDQQMHGSIAHHSZ-CYZMBNFOSA-N 317.349 -0.743 30 20 DBED CCN(C)CCC(=O)NC[C@H](O)CNC(=O)c1cc(C#N)c[nH]1 1431517148 LGWXSNREJMVREQ-LBPRGKRZSA-N 321.381 -0.565 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1cccc2ncnn12 1433326890 GPCXZXDKFKSKFJ-UWVGGRQHSA-N 316.321 -0.904 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CN(C)C(=O)c1c[nH]nc1C1CC1 1444741432 OBHPFLMNEJQZMO-GXSJLCMTSA-N 319.365 -0.004 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](C1CC1)N(C)C(=O)CN1CCOCC1 1450811620 IMEJAEBLLZLHSO-OCCSQVGLSA-N 322.409 -0.169 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CCN(C(=O)CCn2cncn2)C1 1453610657 CFQAOISGOVXKBH-RYUDHWBXSA-N 304.354 -0.113 30 20 DBED N#Cc1cn(CCNC(=O)[C@@H]2C[C@]23CCOC3)c(=O)nc1O 1453844980 RUQHSXPFOURONL-HZMBPMFUSA-N 304.306 -0.637 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C)C(=O)[C@@H]1CCc2nncn2C1 1455436946 XLLYOCXUWJSQJY-WDEREUQCSA-N 304.354 -0.425 30 20 DBED CCCc1n[nH]cc1C(=O)NC[C@H](O)CNC(=O)[C@@H](C)C#N 1458025808 WGBYCXAJRUKAMH-VHSXEESVSA-N 307.354 -0.271 30 20 DBED COC(=O)Cn1cc(S(=O)(=O)N2CCC[C@H](C#N)C2)cn1 1464485408 NLLGJKWNULFSPK-SNVBAGLBSA-N 312.351 -0.020 30 20 DBED CNC(=O)NC(=O)[C@H](C)N[C@H](C)CNC(=O)c1cc(C#N)c[nH]1 1480442229 ICLKPZVVQJQNMY-BDAKNGLRSA-N 320.353 -0.562 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)c2cc(C)ncn2)C1 1491721091 IGVCPZIVIYYQRV-OLZOCXBDSA-N 315.377 -0.273 30 20 DBED N#Cc1ccc(C(=O)N2CC(CNC(=O)Cc3nc[nH]n3)C2)[nH]1 1498708509 JAICFQJAVPFNNZ-UHFFFAOYSA-N 313.321 -0.565 30 20 DBED C=CCn1c(N2CCS(=O)CC2)nnc1[C@](C)(O)COC 1520483127 CPDAWXYNWAAYCU-CYBMUJFWSA-N 314.411 -0.113 30 20 DBED C[C@@H](C#N)C(=O)NCCN1CCN(C(=O)c2cnccn2)CC1 1524095241 UFSAIUKDFHISJJ-LBPRGKRZSA-N 316.365 -0.490 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCN(C)C(=O)CCn1ncn(C)c1=O 1533025332 SHRGKEYVMAGRRV-NSHDSACASA-N 322.369 -0.952 30 20 DBED CN1CCN(C(=O)Nc2nn(C)cc2C#N)C[C@@H](C(=O)O)C1 1571091244 BYQPYYYUGPKRRA-JTQLQIEISA-N 306.326 -0.228 30 20 DBED C=C(Cl)C[C@H](N)C(=O)N(C)Cc1nnc2n1CCNC2=O 1574849328 MIVWELSTMBPKCM-QMMMGPOBSA-N 312.761 -0.550 30 20 DBED CN[C@H](CC(C)(C)C)C(=O)NCCn1cc(C#N)c(O)nc1=O 1578589495 BNZIQXCNGOJGPI-LLVKDONJSA-N 321.381 -0.039 30 20 DBED CN(CC#N)C[C@@H](O)CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 1591037539 OKQMRYGQNWPZTP-SECBINFHSA-N 318.341 -0.917 30 20 DBED Cc1nc(C(=O)NCCn2cnc(C#N)n2)ccc1-c1nn[nH]n1 1592349328 GKHDXFGTWCYVLM-UHFFFAOYSA-N 324.308 -0.537 30 20 DBED N#Cc1ccc(NCCNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)nn1 1592696763 FFLWFKXFKBEAMA-UHFFFAOYSA-N 324.308 -0.302 30 20 DBED N#Cc1nc(N[C@@H](CO)C2CCOCC2)cnc1-c1nn[nH]n1 1592707974 MQGCDLXJUGYBAX-JTQLQIEISA-N 316.325 -0.272 30 20 DBED C=C(C)C[C@@H](NS(=O)(=O)N=[S@](C)(=O)N(C)C)C(=O)O 1602757703 TZVZSCFSHXSVGR-CVJBHZAOSA-N 313.401 -0.185 30 20 DBED N#Cc1ncccc1S(=O)(=O)N1CCC[C@H](O)[C@H]1C(=O)O 1610634067 IZAHMOGOGLTDAV-ONGXEEELSA-N 311.319 -0.448 30 20 DBED Cn1c(N2CCc3nnc(O)cc3C2)c(C#N)c(=O)n(C)c1=O 1647263649 UGMWMWLCEVCDGO-UHFFFAOYSA-N 314.305 -0.986 30 20 DBED COCCN(C(=O)NC[C@@H](C)C#N)[C@@H]1CCS(=O)(=O)C1 1649746676 VNOOKISCCRZKHV-WDEREUQCSA-N 303.384 -0.009 30 20 DBED C=CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)CN2CCCC2=O)C1 1731645164 HZKKGRHZBIXHGA-STQMWFEESA-N 322.409 -0.510 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@H](NCCCS(=O)(=O)N(C)C)C1 1752621095 CPSOKFIBDURNEA-SRVKXCTJSA-N 316.427 -0.336 30 20 DBED C#CCNC(=O)CNC[C@@H]1CCN(C(=O)C2(COC)CCC2)C1 1752946189 LMWKCWXDNGWKQF-AWEZNQCLSA-N 321.421 -0.009 30 20 DBED Cc1cc(C(=O)N(C)CCNCC(=O)NCC#N)c(C)n1C 1753259095 KRHGKMMBQXKLQS-UHFFFAOYSA-N 305.382 -0.057 30 20 DBED C#CCN1CCC(C(=O)NC[C@H](CC)N[C@@H](C)C(=O)NC)CC1 1753497799 QRKMXODZUHUWIZ-ZFWWWQNUSA-N 322.453 -0.050 30 20 DBED C#CCNCC[C@H]1CCCN(C(=O)[C@H](C)NS(C)(=O)=O)C1 1753556676 UWGFMLMXSVTZFV-QWHCGFSZSA-N 315.439 -0.224 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H](O)CNCc1ccn(C)n1 1753931521 VFCZTQUBEXEPRF-ILXRZTDVSA-N 322.409 -0.032 30 20 DBED C#CCNC(=O)CNC[C@H]1CCCC[C@H]1NC(=O)CCN(C)C 1754348865 OCWNIHWRJFRSHY-HUUCEWRRSA-N 322.453 -0.048 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CCN1C[C@@H](O)Cn1cccn1 1754483887 QOPSPMGHEOKNBV-HUUCEWRRSA-N 302.378 -0.152 30 20 DBED Cc1nn(C)c(C)c1C(=O)NC[C@@H]1CCN1CC(=O)NCC#N 1754503291 UIGXYIXRYDUUSC-LBPRGKRZSA-N 318.381 -0.519 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC(N(C)C(=O)[C@@H](C)OCC#C)C1 1754575042 MQIRALVZFPMNRG-CHWSQXEVSA-N 305.378 -0.695 30 20 DBED C#CCNC(=O)CN1CC(N(C)C(=O)C[C@@H](C)n2cccn2)C1 1754584197 AQDOZRHMHVVOEL-CYBMUJFWSA-N 317.393 -0.274 30 20 DBED C#CCNC(=O)CN1CCOC[C@@H]1CNC(=O)c1coc(C)c1 1754965673 NVANZEXTNXHNOR-AWEZNQCLSA-N 319.361 -0.232 30 20 DBED N#CCNC(=O)CN1CC2(C[C@@H](NC(=O)c3ccoc3)CO2)C1 1755059437 QWAVDEZDCXAJHX-GFCCVEGCSA-N 318.333 -0.508 30 20 DBED CCN(CCC#N)C(=O)CN[C@H]1CN(C(=O)CC(N)=O)C[C@@H]1C 1755107580 QCBWRCGZSHZUKX-RYUDHWBXSA-N 323.397 -0.940 30 20 DBED N#CCNCC1(NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CCCCC1 1755354154 HCALVDXLUTYBHP-NWDGAFQWSA-N 308.382 -0.048 30 20 DBED CC#CCN[C@@H](CO)CNC(=O)CNC(=O)c1cccc(F)c1 1755646304 NAFOJAVDJYPAIQ-CQSZACIVSA-N 321.352 -0.355 30 20 DBED C=C(C)CCC(=O)N[C@@H](C)[C@H](C)NC(=O)CS(=O)(=O)NC 1755969992 DBWUCNZBLGTQKN-QWRGUYRKSA-N 319.427 -0.099 30 20 DBED O=C(C#CC1CC1)NCCOCCCNC(=O)Cn1nccn1 1756398049 JTCMNDHIGLFCOB-UHFFFAOYSA-N 319.365 -0.669 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](CO)CNC(=O)CC1CCCC1 1756502632 QKWTVFSRWXAXKG-CYBMUJFWSA-N 323.393 -0.701 30 20 DBED CC#CCCCC(=O)N[C@H](CO)CNC(=O)[C@H](C)NC(C)=O 1756504850 HLIJWFZLRDUGGZ-AAEUAGOBSA-N 311.382 -0.702 30 20 DBED C=C(C)C[C@@H](C)C(=O)N[C@@H](CO)CNC(=O)Cc1n[nH]c(C)n1 1756520950 HERBIQFMNXESID-ZYHUDNBSSA-N 323.397 -0.149 30 20 DBED C=CCOCC(=O)N[C@@H]1CCCN(C(=O)CC(=O)NC)[C@H]1C 1756625708 ZQHDIGQEXLKJSQ-NWDGAFQWSA-N 311.382 -0.179 30 20 DBED C#CCCCC(=O)N(C)C[C@@H](O)CN(C)C(=O)Cn1cncn1 1756685959 MLFNDGFKVQFAKN-CYBMUJFWSA-N 321.381 -0.641 30 20 DBED C#CCCCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn(C)cn2)C1 1756989402 BDUGKSDSPXUAJT-DGCLKSJQSA-N 304.350 -0.475 30 20 DBED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnoc3)C[C@@H]21 1790791562 BYUVIDTUTNJTMY-DRZSPHRISA-N 303.318 -0.099 30 20 DBED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)=O)CCO2 1834726725 YZOSYVRQXPBEKF-INIZCTEOSA-N 322.361 -0.555 30 20 DBED C[C@@H](C(=O)N1CC2(CCCN2C(=O)CC#N)C1)n1ccnn1 1842623728 YZMIBQSEFRAKKL-NSHDSACASA-N 302.338 -0.044 30 20 DBED C=CC(=O)N[C@H](C)C(=O)N1CCCC12CN(C(=O)CC#N)C2 1844369604 XFFHYADEWQFPSX-LLVKDONJSA-N 304.350 -0.206 30 20 DBED C[C@@](C#N)(NC(=O)CN1CC[C@H](NS(C)(=O)=O)C1)C1CC1 116888585 QMQVETNNONXXRA-AAEUAGOBSA-N 314.411 -0.582 30 20 DBED CN(CC(F)(F)F)C(=O)CO/N=C(\N)CN1CCOCC1 177497672 GNQAZIXWBYSNKE-UHFFFAOYSA-N 312.292 -0.372 30 20 DBED C#CCN/C(=N\C)NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 261859600 ZDJNRKBZLSRMJP-ZDEQEGDKSA-N 300.362 -0.408 30 20 DBED COCC1(CNS(=O)(=O)N(C)CCC#N)CCNCC1 262020823 NFNKRCZTVYYWIQ-UHFFFAOYSA-N 304.416 -0.318 30 20 DBED COCCN(CC(=O)N(C)C)CC(=O)N(CCC#N)CCC#N 265445101 ASOWNUIQSOKTOG-UHFFFAOYSA-N 323.397 -0.321 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1CC[C@@](F)(C(=O)OC)C1 267703315 VBJNOBMIHSHOMY-ZANVPECISA-N 301.318 -0.026 30 20 DBED CNC(=O)CN1CCN(c2nccc(C#N)c2[N+](=O)[O-])CC1 268503636 QOZSJUGOILZDSE-UHFFFAOYSA-N 304.310 -0.271 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(CC)CCCN(C)C)C1=O 276298790 XYSOOKCSSNOCAP-UHFFFAOYSA-N 324.381 -0.237 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@](C)(C#N)CSC)C1=O 289832515 DCFMVTZBOIMQGJ-ZDUSSCGKSA-N 324.362 -0.275 30 20 DBED C[C@@H]1COCCN1CC/N=C(/O)c1cn(CC(=O)N(C)C)nn1 330623062 OYLJJUJVDBFDDE-LLVKDONJSA-N 324.385 -0.608 30 20 DBED COC(=O)CSCC/N=C(/O)N1CCS(=O)(=O)C[C@@H]1C 330804512 GBGMCFOUISZLRS-VIFPVBQESA-N 324.424 -0.075 30 20 DBED CCS(=O)(=O)NCC/N=C(/O)N1C[C@H](C)O[C@H](COC)C1 331267221 RCFBHGAPATXDQR-QWRGUYRKSA-N 323.415 -0.425 30 20 DBED COC(=O)[C@H](NS(=O)(=O)N1CCO[C@H](C#N)C1)C(C)C 336882579 CAHIQVDYOVTBJD-NXEZZACHSA-N 305.356 -0.757 30 20 DBED COCCN(CCC#N)S(=O)(=O)N(C)[C@@H]1CCN(C)C1=O 337103338 XWBFZAFCTHFNGQ-LLVKDONJSA-N 318.399 -0.744 30 20 DBED CN(C)C1(CNS(=O)(=O)N2CCO[C@H](C#N)C2)CCC1 337199263 YQERXIWSRSYALP-LLVKDONJSA-N 302.400 -0.471 30 20 DBED CNS(=O)(=O)c1cc(C(=O)N(CC#N)CC(=O)OC)co1 339222624 APOYFPWXAMOHFO-UHFFFAOYSA-N 315.307 -0.674 30 20 DBED N#C[C@@H]1CSCCN1C(=O)CN1CCS(=O)(=O)CC1 342077959 UIBSFGQEOVQEBA-SNVBAGLBSA-N 303.409 -0.816 30 20 DBED Cn1cc(S(=O)(=O)NCC(=O)N(CCC#N)CCC#N)cn1 343302825 MSVOFGUKAKNFSQ-UHFFFAOYSA-N 324.366 -0.646 30 20 DBED COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)NCC(=O)NCC#N 352533727 VGASKSQPWPHXOK-ZJUUUORDSA-N 317.367 -0.723 30 20 DBED C=CCOC[C@H](NC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21)C(=O)OC 356334724 CKSSPSCFPFBOGD-ZDEQEGDKSA-N 313.350 -0.102 30 20 DBED CN(CC(=O)N[C@]1(C#N)CCOC1)c1ncnc2[nH]cnc12 358443470 IJWLOAFMCCZPKF-ZDUSSCGKSA-N 301.310 -0.412 30 20 DBED Cc1cc(NC(=O)C(=O)N2C[C@@H](C)[C@H](CO)C2)nn1CCC#N 362004537 ZCXSXQSGYDTPPD-PWSUYJOCSA-N 319.365 0.131 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N1C[C@H](CO)OC(C)(C)C1 422098189 BQJYBPQWAOEMTR-GFCCVEGCSA-N 314.382 -0.354 30 20 DBED C=CCN(CCC#N)C(=O)Nc1ncn(CC(=O)N(C)C)n1 432971408 JGJLDSIYTHOJSZ-UHFFFAOYSA-N 305.342 0.300 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)NC2(C(=O)O)CCCC2)CCO1 566845084 NDGFCYQODRXQLF-SECBINFHSA-N 303.340 -0.557 30 20 DBED C[C@@H](NS(=O)(=O)c1cncc(C#N)c1)[C@@H]1CN(C)CCO1 589284836 CNLAERXRDICGPO-MFKMUULPSA-N 310.379 -0.049 30 20 DBED CCN(CCC#N)S(=O)(=O)N[C@@H](CO)[C@H]1CCCOC1 594784256 QWTFQWQFJZSOCC-RYUDHWBXSA-N 305.400 -0.156 30 20 DBED CCc1nc(C#N)cc(NCCN2CCN(C(C)=O)CC2)n1 596077100 HFQPEHRGHJJYKS-UHFFFAOYSA-N 302.382 0.487 30 20 DBED C[C@@H]1OCCN(C(=O)C(=O)N2CCN(CCC#N)CC2)[C@@H]1C 601458069 LKFJHSNOXZTUKI-OLZOCXBDSA-N 308.382 -0.320 30 20 DBED CNC(=O)CNC(=O)NC1CCN(c2ccc(C#N)cn2)CC1 608995155 ZGGZANNUXIWLOW-UHFFFAOYSA-N 316.365 -0.033 30 20 DBED C=CCn1cc(C(=O)NCC(C)(C)NS(C)(=O)=O)nn1 648282631 BEFYNHXSSQRKGH-UHFFFAOYSA-N 301.372 -0.478 30 20 DBED C#C[C@@H](NC(=O)CNS(=O)(=O)CCCOC)[C@@H]1CCCO1 772889842 IWTFDEHZWSGVPV-NEPJUHHUSA-N 318.395 -0.761 30 20 DBED Cc1cccc(=O)n1C[C@](C)(O)C(=O)OCC(=O)NCCC#N 795768477 FPLUKCFIOFKOOX-HNNXBMFYSA-N 321.333 -0.519 30 20 DBED COCCNC(=O)[C@@H](C#N)C(=O)c1cncc(-n2ccnn2)c1 802040715 QOFVFFCFMOKPGK-LBPRGKRZSA-N 314.305 -0.253 30 20 DBED C#Cc1cncc(C(=O)N2CCN(C(=O)CN(C)C)CC2)c1 806419862 YKXJKNCTIFPFNR-UHFFFAOYSA-N 300.362 -0.091 30 20 DBED CN(CC(=O)NS(=O)(=O)c1cncc(C#N)c1)C(=O)C1CC1 813981845 JRLSAONMAAOPEM-UHFFFAOYSA-N 322.346 -0.373 30 20 DBED O=C(N[C@@H]1CCCN(O)C1=O)[C@@H]1COCCN1CC(F)F 816758987 BVJXNCOLHQEZKT-BDAKNGLRSA-N 307.297 -0.551 30 20 DBED COC(=O)CN(CC#N)C(=O)Cc1noc(C)c1-c1nn[nH]n1 826138099 DOYJCNWPHMNSRZ-UHFFFAOYSA-N 319.281 -0.769 30 20 DBED CCOC(=O)C1=C(CN2CC[C@@](O)(CC#N)C2)NC(=O)N[C@@H]1C 829969043 MUQYMHGEYPJMGW-BMIGLBTASA-N 322.365 -0.145 30 20 DBED CON1CCN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CC1 846974943 FOCIOWXMKWDVHK-HNNXBMFYSA-N 323.441 -0.142 30 20 DBED C=CCNC(=O)[C@H](C)OC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 860039691 HPKDDQRUDSZFQA-QWRGUYRKSA-N 318.395 -0.108 30 20 DBED CCCc1nnc(SCC(=O)NCC#CCN(C)C)n1N 913522774 YBVPGLPBNKPBCU-UHFFFAOYSA-N 310.427 -0.282 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](C)[C@@H](O)CC)CC1 913789145 YIJKPNKPSRDUMB-NEPJUHHUSA-N 317.411 -0.995 30 20 DBED C#CCOCCC(=O)NC1(C)CN(C(=O)CCOCC#C)C1 913839064 IDWXKCPDNPJCHY-UHFFFAOYSA-N 306.362 -0.217 30 20 DBED CC(=O)NCC(=O)NCC(=O)OCc1ccc(C#N)cc1F 917324376 CNCFQZJTPLVVIC-UHFFFAOYSA-N 307.281 -0.007 30 20 DBED C=C[C@H](CC)CC(=O)N1CCN(C(=O)Cn2cnnn2)CC1 931688934 OTALCDHSMYNKNJ-GFCCVEGCSA-N 306.370 -0.054 30 20 DBED C#CC1(O)CN(CC(=O)N2CCC(C(=O)N(C)C(C)C)CC2)C1 934445157 OWLSHPPKNPJEFM-UHFFFAOYSA-N 321.421 -0.228 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)c2cc(=O)n(C)o2)C1 944572087 VHKBMGIKJGQDFI-UWVGGRQHSA-N 322.321 -0.905 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCN(C(=O)[C@@H]3CCNC3=O)CC2)C1 944997355 ZGEMVFMQXPSSRE-NWDGAFQWSA-N 318.377 -0.267 30 20 DBED C[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 948037219 QMFMQSOUCPACRD-LDYMZIIASA-N 303.322 -0.662 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CNC(=O)c2cn(C)nn2)CC1 949390598 HVQDKAJVXIBZCN-SNVBAGLBSA-N 304.354 -0.057 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(CC)C1CN([C@H](CC)C(N)=O)C1 950533441 FSHYZVTVSYLJHF-CABCVRRESA-N 320.437 -0.119 30 20 DBED NC(=O)CC(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)C#CC1CC1 952537740 UVGKDXRMJYAISU-OLZOCXBDSA-N 303.362 -0.133 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@@H]2CN(Cc3cnon3)C[C@H]2O)c1 957957610 NWTXHEPLRBRIKH-ZWNOBZJWSA-N 316.321 -0.508 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2ncoc2-c2ccon2)C1 958595626 SSAQJBYHKDKROY-PWSUYJOCSA-N 316.317 -0.015 30 20 DBED C[C@H]1CN(C(=O)CC(N)=O)C[C@H]1CNC(=O)c1ccc(C#N)[nH]1 959413200 WMTYEKVETDFVBY-VHSXEESVSA-N 317.349 -0.414 30 20 DBED O=C([C@H]1CCOC1)N1C[C@H]2[C@@H](C1)OCCN2C(=O)C#CC1CC1 960360675 HRWJCMLJIRNNHK-SOUVJXGZSA-N 318.373 -0.126 30 20 DBED C=CCN1C[C@H]2C(NC(=O)Cc3ccc(C(N)=O)nc3)[C@@H]2C1 960554001 DJHSDHVFCUHQKJ-VXGBXAGGSA-N 300.362 -0.045 30 20 DBED C=CCCn1cc(C(=O)NC[C@H]2COCCN2C(C)=O)nn1 964207757 RBXMJNWCLGBKJH-LBPRGKRZSA-N 307.354 -0.169 30 20 DBED N#CCNC1CC2(C1)CC(NC(=O)CN1CCC(=O)NC1=O)C2 965747800 JRHZDSOGBBMTID-UHFFFAOYSA-N 319.365 -0.531 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)[C@H]3CCNC(=O)C3)C2)C1 972338601 IDVVNPQNNHYIJM-BBRMVZONSA-N 305.378 -0.551 30 20 DBED N#CCN1CCO[C@@]2(CCN(C(=O)c3c[nH]c(=O)cn3)C2)C1 972524699 VRQVCUTXIIBFBK-AWEZNQCLSA-N 303.322 -0.790 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)[C@@H]3CCC(=O)NC3)[C@H]2C1 976795808 AKPXQBQPDXGSJR-VLLVSFFDSA-N 304.350 -0.755 30 20 DBED C#CCN1C[C@H]2C(CNC(=O)c3cnc4n3CCOC4)[C@@H]2C1 978302872 LAJYAJLLBFOBFC-STQMWFEESA-N 300.362 -0.046 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(NC(=O)[C@@H]2COCCO2)C1 990288930 XUMYZYZVXXFSOQ-IHRRRGAJSA-N 324.377 -0.290 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](n2ccnn2)[C@H](NC(=O)C2CC2)C1 990786854 XAXPKXVNGAOPHE-WCQGTBRESA-N 302.338 -0.284 30 20 DBED O=C(N[C@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1O)c1cnccn1 991245510 OXLDUXCSWOGTMS-JSGCOSHPSA-N 314.345 -0.418 30 20 DBED C#CCN[C@@H]1CCC[C@@H]2CN(C(=O)Cn3c(O)nnc3O)C[C@H]21 992867138 ABAIXONLYFBRLH-IJLUTSLNSA-N 319.365 -0.461 30 20 DBED C#CCN1CCC[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)[C@@H]1C 993410509 HDIIVHUSYCUIGA-STQMWFEESA-N 318.377 -0.851 30 20 DBED C#CCCN1CCC[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)[C@H]1C 994359908 CBMVXXQWIZEMGL-CHWSQXEVSA-N 320.393 -0.127 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CCN(C)C2)C1 994756244 WDMPUWXAMGTBEM-HIFRSBDPSA-N 318.421 -0.637 30 20 DBED CCN1CCOC[C@@H]1C(=O)NC1CN(C(=O)C#CC2CC2)C1 994993891 FXJQRYGIABNZJY-CQSZACIVSA-N 305.378 -0.553 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCC(N[C@H]2CCNC2=O)CC1 996687487 WWMFAFOIPOXBDO-GJZGRUSLSA-N 318.421 -0.447 30 20 DBED C#CCNC1CC(N(C)C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1 999398385 XTWUVNKOFZDERD-CLRIEMFWSA-N 307.394 -0.166 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2C(NC(=O)c3cc(=O)n(C)o3)[C@H]2C1 1013014790 UWAGEKJMKXJHET-VGMNWLOBSA-N 304.306 -0.675 30 20 DBED N#CCN1CC[C@H]2[C@H](CCCN2C(=O)CN2CC(=O)NC2=O)C1 1021687341 HSCZNKRCDIAGNQ-NEPJUHHUSA-N 319.365 -0.625 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccncc2F)C1 1023265544 AHGLPPUIOAQXDZ-XXILOJSOSA-N 306.297 -0.318 30 20 DBED C#CCCN1[C@H]2CC[C@H]1CN(C(=O)Cn1cnc(C(N)=O)n1)C2 1029314122 DASBZJXZXSOGGG-RYUDHWBXSA-N 316.365 -0.925 30 20 DBED C=CCn1cc(C(=O)NC2CN(Cc3nnc(C)o3)C2)nn1 1031070030 LKKPZKXGIYAZOZ-UHFFFAOYSA-N 303.326 -0.230 30 20 DBED CN1CC[C@@H](C(=O)N[C@H]2CCCCN(CC#N)C2)S1(=O)=O 1034441055 AADVXOQYTNOFPH-RYUDHWBXSA-N 314.411 -0.485 30 20 DBED N#CCN1CCO[C@H](CNC(=O)c2ccn3nnnc3c2)C1 1035473467 PSDRTSUONNBMEF-LLVKDONJSA-N 301.310 -0.922 30 20 DBED C=CCCC(=O)N1CC[C@](O)(CNC(=O)c2cn(C)nn2)C1 1039616555 STQVJUCRYISOAW-AWEZNQCLSA-N 307.354 -0.526 30 20 DBED C=CCCC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2CCNC2=O)C1 1040486436 UEXSAPDENBNUKV-IAQYHMDHSA-N 309.366 -0.832 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)c2nccs2)C1 1040682738 SVLMIESVVHZXIZ-NOZJJQNGSA-N 308.363 -0.004 30 20 DBED C[C@@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)c2cnccn2)C1 1040764105 UUBYXPPPCNYOGK-IINYFYTJSA-N 303.322 -0.671 30 20 DBED C=C1CC(C)(C(=O)NC[C@]2(O)CCN(C(=O)c3cnn[nH]3)C2)C1 1040857953 VMBNIEMSZKGHNZ-OAHLLOKOSA-N 319.365 -0.146 30 20 DBED Cn1ccc(C(=O)N[C@@H]2CN(c3ccncc3C#N)C[C@H]2O)n1 1041053288 RFJZNABUBXKURJ-TZMCWYRMSA-N 312.333 -0.334 30 20 DBED CC#CCCCC(=O)N1CC(O)(CNC(=O)[C@@H](C)NC(C)=O)C1 1041337741 HINOBSXLTJUSJJ-GFCCVEGCSA-N 323.393 -0.606 30 20 DBED C=C1CC(C)(C(=O)N2CC(O)(CNC(=O)[C@H](C)NC(C)=O)C2)C1 1041337945 IARPANJRQWDVQA-NSHDSACASA-N 323.393 -0.443 30 20 DBED C[C@@H]1CN(c2nccnc2C#N)C[C@H]1NC(=O)[C@@H]1COC(=O)N1 1041892038 JVSLSOYMSNBNQO-IEBDPFPHSA-N 316.321 -0.602 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)c2ccc(F)nc2)C1 1042126889 HUHNDECTQQASEK-VIFPVBQESA-N 306.297 -0.317 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)[C@@H](OC)C2CC2)C1 1042837189 IYPHDNNEOYOENQ-ZDUSSCGKSA-N 312.366 -0.697 30 20 DBED CN(C)CC1(C(=O)N2CC(O)(CNC(=O)C#CC3CC3)C2)CC1 1042960704 NGAAJBDGRQCMBZ-UHFFFAOYSA-N 319.405 -0.569 30 20 DBED C=C(C)CCC(=O)NCC1(O)CN(C(=O)[C@H]2CCN(C)C2=O)C1 1043320630 XCKWZPCPMZWBRV-LBPRGKRZSA-N 323.393 -0.490 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)CCCn2ccnn2)C1 1043353826 TWIRLGHITFGGCV-UHFFFAOYSA-N 321.381 -0.286 30 20 DBED Cc1ncc(CC(=O)NCC2(O)CN(C(=O)[C@@H](C)C#N)C2)o1 1043451940 UGQRNJZEOVLYRQ-VIFPVBQESA-N 306.322 -0.625 30 20 DBED C=CCn1cc(C(=O)N(C)C2CN([C@H]3CCN(C)C3=O)C2)nn1 1044022609 PBZNXQAVIMTGSM-ZDUSSCGKSA-N 318.381 -0.549 30 20 DBED Cn1ncc(C(=O)N[C@@H]2CN(c3ccc(C#N)cn3)C[C@@H]2O)n1 1044045238 QNRKEBZRODYXSB-NEPJUHHUSA-N 313.321 -0.939 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)Cc2ccn(C)n2)C1 1044460409 REXYCZIFESSALU-UHFFFAOYSA-N 320.393 -0.136 30 20 DBED C[C@]1(NC(=O)c2ccc(S(N)(=O)=O)o2)CCN(CC#N)C1 1046445723 HXSYHRKKZNMGAO-LBPRGKRZSA-N 312.351 -0.355 30 20 DBED C#CCN1CC[C@@](C)(NC(=O)c2ccc(=O)n(CCOC)n2)C1 1046469040 SEAFSMJIAPIIDZ-MRXNPFEDSA-N 318.377 -0.283 30 20 DBED C=C(C)CN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC(=O)N(CC)C2)C1 1047401625 ZSQNYWRZOHUXOF-RDBSUJKOSA-N 309.410 -0.066 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCCN(C)C)C1 1049345164 RHTKQYLVRRAMKP-AVGNSLFASA-N 310.398 -0.482 30 20 DBED C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)CN1CC(=O)NC1=O 1049791470 VIUDBXVAWNWMHZ-VXGBXAGGSA-N 304.350 -0.763 30 20 DBED C[C@@H]1[C@@H](NC(=O)[C@H]2COCCO2)CCN1c1nccnc1C#N 1050065024 IGGFDTWCEWNVMD-NTZNESFSSA-N 317.349 -0.153 30 20 DBED C#CCCN1CCOC[C@H]1CNC(=O)[C@H]1COCCN1C(C)=O 1051249614 HBCJGDYWPZUJKQ-HUUCEWRRSA-N 323.393 -0.926 30 20 DBED C#CCN1CCN([C@H]2CCN(C(=O)c3cc(=O)n(C)o3)C2)CC1 1052019461 ZRYICDACVNENSV-ZDUSSCGKSA-N 318.377 -0.556 30 20 DBED CN1C[C@@H](C(=O)N2CC[C@H](N3CCN(CC#N)CC3)C2)CC1=O 1052036054 YICHQQVDKRBQQE-KBPBESRZSA-N 319.409 -0.793 30 20 DBED CC#CCN1CCC[C@H](NC(=O)CN2C(=O)CNC2=O)CC1 1052918610 BIQUYOPUNOCMFZ-LBPRGKRZSA-N 306.366 -0.468 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)[C@]1(CC)CCNC1=O)CCO2 1053291975 PEQWSTFVKOENFA-QGZVFWFLSA-N 319.405 -0.161 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)Cc2nc[nH]n2)C[C@H]1C 1053480187 VNBNRPXKPFDONL-VXGBXAGGSA-N 321.381 -0.240 30 20 DBED CC#CCN1CC2(CC[C@@H](CNC(=O)[C@@H]3COC(=O)N3)O2)C1 1053596445 UXEXWYRXBXEJRT-RYUDHWBXSA-N 307.350 -0.532 30 20 DBED C#CCN1CC2(CC[C@H](CNC(=O)[C@@H]3CCC(=O)N3C)O2)C1 1053646978 JTSAANGGZCMSKX-OLZOCXBDSA-N 305.378 -0.410 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)c3cc4n(n3)CCCO4)CO2)C1 1053867627 ODDGPTVRLKBKCI-GFCCVEGCSA-N 316.361 -0.128 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)c3cn(C)c(O)n3)CO2)C1 1053913857 ZKURLUSQZOUNQY-LLVKDONJSA-N 304.350 -0.278 30 20 DBED N#Cc1ccc(N2C[C@@H]3C(NC(=O)c4c[nH]c(=O)cn4)[C@H]3C2)nn1 1056389691 NSXSAKXEWCZJAD-UWVGGRQHSA-N 323.316 -0.704 30 20 DBED Cn1cc(C(=O)N(CCO)CCNC(=O)C#CC2CC2)cn1 1056935306 BNYRFHROEQXJKA-UHFFFAOYSA-N 304.350 -0.616 30 20 DBED CC[C@@H](OC)C(=O)N(CCO)CCNC(=O)c1c[nH]c(C#N)c1 1057153619 DUZTWYJRIVAZLC-CYBMUJFWSA-N 322.365 -0.138 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)[C@H](C)CCOC 1057198225 SPLCHTYUZIRIOF-CYBMUJFWSA-N 316.398 -0.201 30 20 DBED C#CCO[C@H](C)C(=O)NCCN(CCO)C(=O)c1cc[nH]c1C 1057302534 LRHXBTVSHSFAFS-CYBMUJFWSA-N 321.377 -0.088 30 20 DBED Cc1ccc(C#N)c(N2CC[C@H](NC(=O)Cn3ncnn3)C2)n1 1058452705 YISNEFYDJSKIJD-LBPRGKRZSA-N 312.337 -0.357 30 20 DBED N#Cc1cncc(N2CC[C@H](NC(=O)c3cnnc(O)c3)C2)n1 1058471015 FWJWMQFDHQUOHW-JTQLQIEISA-N 311.305 -0.147 30 20 DBED C[C@H]1CCN(CC(=O)NCCN(CCO)C(=O)[C@@H](C)C#N)C1 1058659265 WCPSNLFNCUTQRD-STQMWFEESA-N 310.398 -0.575 30 20 DBED CN1CC[C@H](C(=O)N2CC[C@H](Nc3cncc(C#N)n3)C2)C1=O 1059031646 GYGHQGNPKYXXFL-JQWIXIFHSA-N 314.349 -0.161 30 20 DBED C=CCOCC(=O)NCC[C@@H]1CCN(C(=O)c2ncn(C)n2)C1 1059590170 WZVMXIRPQZUMDD-GFCCVEGCSA-N 321.381 -0.014 30 20 DBED CNC(=O)NCC(=O)NCC[C@H]1CCN(C(=O)[C@@H](C)C#N)C1 1060294113 DIHXGZVUSLFARO-QWRGUYRKSA-N 309.370 -0.570 30 20 DBED N#Cc1ccc(N2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CCNC2=O)nn1 1062555780 NCGYXQSYABCBCV-SDDRHHMPSA-N 312.333 -0.726 30 20 DBED NC(=O)C1(C(=O)NCC2(NC(=O)C#CC3CC3)CCC2)CC1 1064285126 IGTJGANWTQXFPK-UHFFFAOYSA-N 303.362 -0.180 30 20 DBED CO[C@@H](C)C(=O)NC[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)CCO1 1065052262 DAJIAJONCDKHMN-CMPLNLGQSA-N 320.349 -0.122 30 20 DBED CNC(=O)CC(=O)NC[C@H]1CN(C(=O)C#CC(C)C)CCO1 1065129441 QNQMTALFWHWBQQ-LBPRGKRZSA-N 309.366 -0.875 30 20 DBED C#CCOCCC(=O)N1CCO[C@H](CNC(=O)[C@H](C)OC)C1 1065150021 JUPFKENESLYOKE-QWHCGFSZSA-N 312.366 -0.595 30 20 DBED Cn1nncc1C(=O)N[C@@]1(C)CCN(c2nccnc2C#N)C1 1065250714 JMCFEVRGSLLDBN-AWEZNQCLSA-N 312.337 -0.124 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)CCc2cnn[nH]2)C1 1065556780 JTDQKWMMAXRPCR-JQWIXIFHSA-N 320.353 -0.759 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)CSCC#N)C1 1065557205 ODSJBMFQEHKBPP-QWRGUYRKSA-N 310.379 -0.254 30 20 DBED N#Cc1cnc(N2CCOC[C@@H]2CNC(=O)[C@@H]2CCCO2)cn1 1066457838 UAJCQFDVPXDWRX-STQMWFEESA-N 317.349 -0.151 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)CCCN(C)C(=O)Cn1cnnn1 1066787803 NYEVZZPHQZDBNP-LBPRGKRZSA-N 322.369 -0.982 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@]2(CCN(C(=O)CNC(N)=O)C2)C1 1069775488 BHFFCFDRXPBPDY-NHYWBVRUSA-N 321.381 -0.345 30 20 DBED C#CCN1CCn2ncc(CNC(=O)c3cnn(CC)n3)c2C1 1069859983 XTFXZKTVHXGELX-UHFFFAOYSA-N 313.365 -0.127 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CCCN(C(=O)Cn2cnnc2O)C1 1070641307 CRIBBRWTVCXJDN-VHSXEESVSA-N 306.326 -0.749 30 20 DBED CNC(=O)CC(=O)N1CCC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 1070650608 JGJLKUFTQPFFKO-LLVKDONJSA-N 317.349 -0.257 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CN(C(=O)c2ccon2)C[C@@H]1C 1071703488 NAWYMRHONCTPTJ-JQWIXIFHSA-N 318.333 -0.609 30 20 DBED C=CCOCC(=O)N1C[C@@H](NC(=O)Cc2nc[nH]n2)[C@H](C)C1 1071810857 DXAKYUCTKCIELR-GHMZBOCLSA-N 307.354 -0.487 30 20 DBED CCNC(=O)CC(=O)N1C[C@H](C)[C@H](NC(=O)C#CC2CC2)C1 1071939081 KPVQTOZVKATDAK-WCQYABFASA-N 305.378 -0.111 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](NC(=O)C2CC2)[C@H](C)C1 1073612118 IILPQMAGWVMQFE-YPMHNXCESA-N 305.378 -0.111 30 20 DBED C#CCCN1CCO[C@H]2CCN(C(=O)CN3CCOCC3)C[C@H]21 1074216287 WEWSVJIZHCXLHL-CVEARBPZSA-N 321.421 -0.356 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)c3cn(C)ccc3=O)C[C@@H]21 1074292681 ZFSIOKQBOWOVFW-GOEBONIOSA-N 315.373 -0.066 30 20 DBED C#CCNC(=O)CC(=O)N1CCC(O)(CNC(=O)C2CC2)CC1 1074555944 OSJQDBWPQPVOAQ-UHFFFAOYSA-N 321.377 -0.994 30 20 DBED N#CCN1C[C@@H]2CCN(C(=O)[C@@H]3CCCS(=O)(=O)C3)[C@@H]2C1 1076312023 LIMVLVSNJQPSCL-YNEHKIRRSA-N 311.407 -0.133 30 20 DBED Cc1cc(C(=O)N[C@@H]2CN(CC#N)C[C@H]2O)c2c(C)n[nH]c2n1 1077836614 UUNFPYCQGWEHFM-VXGBXAGGSA-N 314.349 -0.127 30 20 DBED C#CCN[C@H]1C[C@@H](NC(=O)CN2CCNC(=O)C2)C12CCC2 1078696271 UORULPAHLGHTEZ-QWHCGFSZSA-N 304.394 -0.932 30 20 DBED C#CCN[C@@H]1C[C@H](NC(=O)c2nccnc2C(N)=O)C12CCC2 1078802878 JEFXBQIGAVMEAE-MNOVXSKESA-N 313.361 -0.161 30 20 DBED C#CCNC(=O)CC(=O)N1CC(N(CC)C(=O)[C@H]2C[C@@H]2C)C1 1079243459 BRVHUJOMNVNTCE-AAEUAGOBSA-N 305.378 -0.159 30 20 DBED C#CCNC(=O)CC(=O)N(CC)C1CN(C(=O)C2CCC2)C1 1079644581 KXOPTHIKICPTBA-UHFFFAOYSA-N 305.378 -0.015 30 20 DBED CCN(C(=O)CCNC(=O)NC)C1CN(C(=O)C#CC2CC2)C1 1079717823 DRAQXERQTBVSMP-UHFFFAOYSA-N 320.393 -0.222 30 20 DBED CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)CCc2cnn[nH]2)C1 1080415610 ADJFJYSBIKJWNK-SNVBAGLBSA-N 304.354 -0.044 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CO)(NC(=O)c2ccon2)CC1 1080747565 QKIHHDGMMUHHHL-JTQLQIEISA-N 306.322 -0.082 30 20 DBED C#CCCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)C2=COCCO2)C1 1081218084 PHRAGMCALXXGSH-CHWSQXEVSA-N 322.361 -0.386 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@H](CNC(=O)C2(C(N)=O)CC2)C1 1081721124 GVWQJJVHNAORAZ-MNOVXSKESA-N 323.393 -0.600 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@@H]2CCn3ccnc3C2)[C@H](OC)C1 1081870557 DFYYRTJSOTYVBM-MGPQQGTHSA-N 302.378 -0.106 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CN([C@@H](C)COC)C[C@H]2OC)nn1 1082214356 STSCZZZEPCORJF-OUCADQQQSA-N 323.397 -0.072 30 20 DBED C=CCn1cc(C(=O)N2CCO[C@@H]3CN(C[C@@H](C)O)C[C@@H]32)nn1 1083217584 FYDMNDKNBVAOLB-KWCYVHTRSA-N 321.381 -0.630 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)C[C@H]2CCCS2(=O)=O)C1 1083671100 ALLDTURJMOXGKA-UPJWGTAASA-N 314.407 -0.862 30 20 DBED N#CCN1CC[C@@H]2CN(C(=O)CCN3C(=O)CCC3=O)C[C@@H]2C1 1088032398 MVUIZVFQEBZEOH-OLZOCXBDSA-N 318.377 -0.171 30 20 DBED N#CCN1C[C@H](NC(=O)[C@@H]2COCCO2)CC2(CCOCC2)C1 1089927787 UGINXAYRQQZSOI-KGLIPLIRSA-N 323.393 -0.087 30 20 DBED Cn1nncc1C(=O)N[C@H]1CN(CC#N)CC2(CCOCC2)C1 1089939288 NWWVAHSWFAWQFB-GFCCVEGCSA-N 318.381 -0.060 30 20 DBED CN(C)CCn1ccc(C(=O)N[C@H]2CCN(CC#N)C[C@H]2O)n1 1090272303 NVSJXBWENJXGMO-GXTWGEPZSA-N 320.397 -0.867 30 20 DBED N#Cc1ccc(F)c(CN2CC[C@H](NC(=O)C(N)=O)[C@@H](O)C2)c1 1090535999 YSFJOWAYPZWKIX-STQMWFEESA-N 320.324 -0.766 30 20 DBED C#CCN1CC[C@@H](NC(=O)C(C)(C)c2cnn(C)c2)[C@@H](O)C1 1090686241 NBNGVERACISWTF-KGLIPLIRSA-N 304.394 -0.118 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2cnn3cc[nH]c23)[C@@H](O)C1 1090763937 NXFJPZYIXFHUOE-OLZOCXBDSA-N 301.350 -0.149 30 20 DBED COCCCCC(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@@H]1O 1091086887 ZTASXOUUFOPRIV-OLZOCXBDSA-N 319.365 -0.169 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(c2cc(F)ncn2)C[C@@H]1O 1091116720 WWHBKFVZQAHHQS-MNOVXSKESA-N 310.329 -0.126 30 20 DBED N#Cc1nccnc1N[C@H]1C[C@H](CNC(=O)Cn2cnnn2)C1 1091425878 FXWLFTDGOIEYKD-MGCOHNPYSA-N 313.325 -0.658 30 20 DBED C#CCCN1CC(OC2CCN(C(=O)[C@H]3COC(=O)N3)CC2)C1 1093532444 ARQKDOBSGAOITH-CQSZACIVSA-N 321.377 -0.190 30 20 DBED N#Cc1cccnc1NCCNC(=O)C1CC(=O)NC(=O)C1 1093741644 LSGFIYYVOOLHDK-UHFFFAOYSA-N 301.306 -0.466 30 20 DBED CN(CCCNC(=O)c1c[nH]c(=O)cn1)c1ccc(C#N)nn1 1095715810 XCRPAXLOMJRIAE-UHFFFAOYSA-N 313.321 -0.312 30 20 DBED CNC(=O)C1(C(=O)NC[C@H](C)Nc2cnc(C#N)cn2)CC1 1097938779 SUDYLMWAGYSMAP-VIFPVBQESA-N 302.338 -0.209 30 20 DBED C=CCN(CCO)C1CCN(C(=O)C[C@H](C)NC(N)=O)CC1 1098370012 YRRGABAMGHMRAQ-LBPRGKRZSA-N 312.414 -0.095 30 20 DBED C[C@H](CNC(=O)[C@@H]1CCC(=O)NC1)Nc1nccnc1C#N 1098398184 YSAODORZJOIVST-NXEZZACHSA-N 302.338 -0.209 30 20 DBED C[C@@H](CC(N)=O)C(=O)N1CC[C@@H](CN=c2cc[nH]c(C#N)n2)C1 1098568932 VHKPLOGUHRJFQD-QWRGUYRKSA-N 316.365 -0.458 30 20 DBED C[C@H](CCNC(=O)Cn1ncnn1)Nc1nccnc1C#N 1099553445 MRXOVIGQUNHFEU-SECBINFHSA-N 301.314 -0.658 30 20 DBED C=C(C)CCC(=O)N[C@@H]1CCN(Cc2nnnn2C)C[C@H]1O 1099856355 VVKHCNOIFSKHKB-VXGBXAGGSA-N 308.386 -0.382 30 20 DBED C#CCN1CC[C@H](NC(=O)CCc2ccnc(C)n2)[C@@H](O)C1 1099930368 FEXADLOWDWIFIE-GJZGRUSLSA-N 302.378 -0.098 30 20 DBED Cc1nc(N(C)CCNC(=O)[C@@H]2COC(=O)N2)ccc1C#N 1100049441 FXNWSOJAVRBPDL-NSHDSACASA-N 303.322 -0.078 30 20 DBED Cc1nc(CC(=O)NCCN(C)c2cncc(C#N)n2)n[nH]1 1100063264 YWKRYPDYOVUJGN-UHFFFAOYSA-N 300.326 -0.430 30 20 DBED CN(CCNC(=O)CC1CS(=O)(=O)C1)c1cncc(C#N)n1 1100219706 KNZINKXNOYNDBI-UHFFFAOYSA-N 323.378 -0.665 30 20 DBED C#CCCCCC(=O)NCC1CC(NCC(=O)NC(N)=O)C1 1100259351 IAHHTTRBLZUXPO-UHFFFAOYSA-N 308.382 -0.141 30 20 DBED Cc1nc(N(C)CCNC(=O)[C@H]2C[C@H]2C(N)=O)ccc1C#N 1100328085 NUIXSJILBZJRBX-NEPJUHHUSA-N 301.350 -0.065 30 20 DBED C#CCCNC1CC(CNC(=O)[C@H]2CC(=O)N(CCOC)C2)C1 1100377883 OCYLSYHVOPOMSJ-SLTAFYQDSA-N 321.421 -0.011 30 20 DBED CN1C[C@H](C(=O)NCCN(C)c2cnc(C#N)cn2)CC1=O 1100383615 HIZQVGYZGUKNGI-SNVBAGLBSA-N 302.338 -0.621 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H]1CCCN1c1ncccn1 1100830399 JIDBHQLBJTVWOO-LBPRGKRZSA-N 301.350 -0.299 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)[C@@H](CC)OC)C1 1101798610 ZVXGVYDQYLKXFT-MGPQQGTHSA-N 309.410 -0.155 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1)CNc1cnc(C#N)cn1 1104034735 OEYAEVJCJBKGNI-KOLCDFICSA-N 302.338 -0.209 30 20 DBED CC(=O)NCC(=O)NC[C@@H](N=c1cc[nH]c(C#N)n1)C(C)C 1105110027 DKYHLFYHAQCOGC-LLVKDONJSA-N 304.354 -0.541 30 20 DBED C#CCNCc1cn(C2CN(C(=O)Cc3cnn(C)c3)C2)nn1 1105183530 TYQYMZJKYUGYKR-UHFFFAOYSA-N 313.365 -0.640 30 20 DBED CC(C)[C@H](CNC(=O)c1cnn[nH]1)N=c1cc[nH]c(C#N)n1 1105304691 CAPGEIXLIMMGOB-VIFPVBQESA-N 300.326 -0.245 30 20 DBED Cc1ncncc1C(=O)NC[C@H](O)CNc1cncc(C#N)n1 1105723526 RLCDBMDFGNDMOJ-LLVKDONJSA-N 313.321 -0.351 30 20 DBED N#Cc1cnc(NC[C@@H](O)CNC(=O)Cn2ccnc2)c(F)c1 1105883419 UEFOGNIZJBVGDL-NSHDSACASA-N 318.312 -0.122 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H](O)CNc1cc(C)nc(OC)n1 1105970458 IALSVBPKYOCLKE-NEPJUHHUSA-N 322.365 -0.279 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H](O)CNC(=O)CCc1ccon1 1106018947 CFEFIMQVUHZIGN-CYBMUJFWSA-N 315.333 -0.115 30 20 DBED Cc1ncc(C(=O)NC[C@@H](O)CNc2cnc(C#N)cn2)n1C 1106092759 MUDPMVBZSASHPA-NSHDSACASA-N 315.337 -0.407 30 20 DBED Cn1cc(C(=O)NC[C@H](O)CNc2ccc(C#N)cn2)nc1O 1106093099 UQJWCIPNVPGYLN-SNVBAGLBSA-N 316.321 -0.405 30 20 DBED N#Cc1c[nH]ccc1=NC/C=C\CNC(=O)CCNC(N)=O 1107189274 GRXCZVSWCMEEJO-UPHRSURJSA-N 302.338 -0.482 30 20 DBED C=CCO[C@@H](C)C(=O)NCc1cn(C2CN(CCO)C2)nn1 1107241227 PFEYGLGVOWLCSQ-NSHDSACASA-N 309.370 -0.666 30 20 DBED CS(=O)(=O)CCC(=O)NC/C=C\CNc1nccnc1C#N 1107576114 IKHMMXSSYCPQKS-IHWYPQMZSA-N 323.378 -0.133 30 20 DBED N#Cc1nc(=NC/C=C/CNC(=O)[C@H]2CCC(=O)NC2)cc[nH]1 1107593383 WMBOWQWQNFYAEF-GXFZAYBSSA-N 314.349 -0.619 30 20 DBED CNC(=O)[C@@H](C)N1CCO[C@@](C)(CNC(=O)C#CC2CC2)C1 1107932316 JXCYMLSFMYWMJZ-WBMJQRKESA-N 307.394 -0.259 30 20 DBED C=CCN1CCO[C@](C)(CNC(=O)[C@H](C)NC(=O)COC)C1 1107965199 SDYRRYMHTWIZAV-SWLSCSKDSA-N 313.398 -0.469 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)[C@H](C(C)C)N(C)C)CC2=O)C1 1108553422 MEPFEDMLKNODLK-CJNGLKHVSA-N 320.437 -0.393 30 20 DBED CN(CCCNc1cncc(C#N)n1)C(=O)[C@@H]1CNC(=O)N1 1109598476 CCXGLKHRBIIAOK-JTQLQIEISA-N 303.326 -0.710 30 20 DBED N#Cc1cnc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)CCc2nc[nH]n2)cn1 1109692755 DYGHQFJFBSYCGL-BPYAMOTFSA-N 324.348 -0.208 30 20 DBED N#Cc1nc(=NC[C@@H](NC(=O)[C@@H]2[C@H]3COC[C@H]32)C2CC2)cc[nH]1 1109960703 VNPNHAIRFPLELU-ZAZJYDDPSA-N 313.361 -0.031 30 20 DBED N#Cc1ccc(NC[C@@H](NC(=O)[C@H]2CNC(=O)N2)C2CC2)cn1 1109963815 QBNCXXHYZNHKNZ-CHWSQXEVSA-N 314.349 -0.059 30 20 DBED CC(=O)N(C)CC(=O)N[C@]1(C)CCN(c2cnc(C#N)cn2)C1 1110722504 LKCJDGZPDMLPDT-OAHLLOKOSA-N 316.365 -0.088 30 20 DBED C=CCO[C@H](C)C(=O)N(CCO)CCN=c1cc[nH]c(C#N)n1 1111484419 ZXLCZBWMDHWSES-GFCCVEGCSA-N 319.365 -0.406 30 20 DBED COCC#CCN1C[C@@H]2CCC[C@]2(NC(=O)Cn2cncn2)C1 1111970055 XMODHUQZCFKBGZ-HOCLYGCPSA-N 317.393 -0.101 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@H](C)n2cccc2)CC1 1112768051 OPCFCEHVSJXCSV-AWEZNQCLSA-N 302.378 -0.057 30 20 DBED COCC#CCN1CCN(C(=O)c2cn(C)c(=O)cn2)CC1 1113129118 RMROPNBYKFHYRI-UHFFFAOYSA-N 304.350 -0.812 30 20 DBED C[C@@H](CC(=O)NC[C@H](C)N(C)c1ccc(C#N)nn1)NC(N)=O 1113719386 COYPVQUUSNEPIP-UWVGGRQHSA-N 319.369 -0.264 30 20 DBED C[C@@H](CC(N)=O)C(=O)NC[C@@H](C)N(C)c1ccnc(C#N)n1 1113799467 GPDBPJZPQMQWNS-VHSXEESVSA-N 304.354 -0.199 30 20 DBED C#CCCN1C[C@H]2C(NC(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)[C@@H]2C1 1114592843 MDRCYDZGPWLHQM-SYQHCUMBSA-N 319.405 -0.131 30 20 DBED C[C@@H](CN(C)C(=O)c1cnnn1C)N=c1cc[nH]c(C#N)n1 1115703333 WXELNEPHTLGYSB-VIFPVBQESA-N 300.326 -0.529 30 20 DBED CCOC(=O)CCCNC(=O)C(=O)Nc1cnn(CC#N)c1 1116331999 XYQCYBZWFLASFE-UHFFFAOYSA-N 307.310 -0.195 30 20 DBED CC[C@@H](C(=O)NCCN/C(O)=C1/N=CC=CC1=O)C(=O)OC 1116762055 ZEDWSTCFYZCIHF-ZWVWWYOOSA-N 309.322 -0.172 30 20 DBED C#CCSCCNC(=O)C(=O)NC[C@H](C)S(C)(=O)=O 1117434208 RJJIIPWPKWGVEF-VIFPVBQESA-N 306.409 -0.982 30 20 DBED C[C@](C#N)(NC(=O)COC(=O)[C@@H]1CC[C@H](C(N)=O)O1)C1CC1 1118908128 NZIPNHNWNJMZPP-ISTVAULSSA-N 309.322 -0.629 30 20 DBED C=CCN(C(=O)C(=O)NCc1cnnn1CC)[C@@H](C)COC 1119147359 QYWFCEKROBJWHY-NSHDSACASA-N 309.370 -0.036 30 20 DBED C#CCn1ccc(CN(CC)c2nnnn2CC(=O)N(C)C)n1 1120039645 XEWGTXABWNHIPS-UHFFFAOYSA-N 316.369 -0.383 30 20 DBED C[C@H](CN(C)C(=O)Cn1ncnn1)Nc1nccnc1C#N 1120128931 UFHNNRKZJYRIRV-SECBINFHSA-N 301.314 -0.706 30 20 DBED Cc1nsc(N[C@@H](CO)CNC(=O)CSCC#N)n1 1121078943 JWARIEHNWYPJBU-MRVPVSSYSA-N 301.397 -0.008 30 20 DBED N#Cc1nccnc1N[C@@H](CO)CNC(=O)C[C@@H]1CCCO1 1121100189 PWOZWYHWKXOHMW-MNOVXSKESA-N 305.338 -0.194 30 20 DBED Cc1cc(C#N)nc(N[C@@H](CO)CNC(=O)[C@H]2CCCN2C)n1 1121239428 BLIKQHUAJPGMPU-CHWSQXEVSA-N 318.381 -0.360 30 20 DBED Cc1cc(=N[C@@H](CO)CNC(=O)C[C@H]2CCOC2)c(C#N)c[nH]1 1121398326 HCNUZCMFUHZPNZ-TZMCWYRMSA-N 318.377 -0.001 30 20 DBED Cc1cc(C#N)nc(N[C@H](CO)CNC(=O)[C@H]2CCN(C)C2)n1 1121591822 WPMMFBOHNBIYJP-AAEUAGOBSA-N 318.381 -0.503 30 20 DBED Cc1nc(N[C@@H](CO)CNC(=O)CCNC(N)=O)ccc1C#N 1121592022 XTWDUVHIKKYWEI-LLVKDONJSA-N 320.353 -0.791 30 20 DBED CC(C)(C(N)=O)C(=O)NC[C@H](CO)Nc1ncc(C#N)cc1F 1122198817 WZUARBSRQGULRU-SECBINFHSA-N 323.328 -0.507 30 20 DBED Cc1ncc(C(=O)NC[C@H](CO)N=c2cc[nH]c(C#N)n2)n1C 1122405420 NGJIOTIFQWFQPH-SNVBAGLBSA-N 315.337 -0.985 30 20 DBED Cn1cc(C(=O)NC[C@H](CO)N=c2cc[nH]cc2C#N)nc1O 1122445780 SUYRWXQUKONTDI-SNVBAGLBSA-N 316.321 -0.983 30 20 DBED N#Cc1cncc(N[C@@H](CO)CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)n1 1122635669 KDWJOVITBUQGJH-LPWJVIDDSA-N 317.349 -0.195 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)[C@@]23COC[C@@H]2C3)cn1 1122759633 DLOAOJSNMILBCN-XEGUGMAKSA-N 302.334 -0.121 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)Cc1ccon1 1125098710 LSUMVRWYRWSMIB-JTQLQIEISA-N 323.353 -0.677 30 20 DBED C=CCOCCNCCNC(=O)CN1C(=O)CC(C)(C)C1=O 1127374385 RKQUKOGNXJPXSY-UHFFFAOYSA-N 311.382 -0.320 30 20 DBED CC#CCN1CCn2ncc(CNC(=O)CNC(=O)OC)c2C1 1128228512 LMXBWGLPXBZLIT-UHFFFAOYSA-N 319.365 -0.306 30 20 DBED N#CCN1CC[C@@H](c2n[nH]cc2CNC(=O)CNC(N)=O)C1 1130342814 QEXYKUSONUMXMD-SECBINFHSA-N 305.342 -0.993 30 20 DBED C#CCN1CCOC[C@@H]1c1n[nH]c(CNC(=O)COCC)n1 1130828498 JSSDCHSCUCPIRB-LLVKDONJSA-N 307.354 -0.536 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1131642168 ZZXFSWOCPASUPG-SGMGOOAPSA-N 311.382 -0.954 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@@H]1CC(=O)N[C@@H](CC)C1 1131680830 RKCYCSSTWHZKNQ-RYUDHWBXSA-N 310.398 -0.701 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)c1nccnc1N 1133954437 QJKMJSZYIMPVIM-MNOVXSKESA-N 318.381 -0.705 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)Cn2ccc(C)n2)C1=O 1134006099 FPYPVDURZOSFNR-CYBMUJFWSA-N 305.382 -0.316 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@@H]1C[C@H]1c1cccnc1 1134141826 AQIOAZSHSDPPKQ-UONOGXRCSA-N 300.362 -0.360 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)c1cnnc(O)c1 1134676447 OTDBEQIHPKPXKK-MNOVXSKESA-N 319.365 -0.582 30 20 DBED C[C@@H](C[C@@H](C)NCC(=O)NCC#N)NC(=O)c1cnnc(O)c1 1134677237 XIAORHNWWOEUCY-ZJUUUORDSA-N 320.353 -0.692 30 20 DBED C=CCCCN[C@@H](C)C[C@@H](C)NC(=O)CNS(=O)(=O)NC 1135118294 HHGRPHNKCDEMJL-NWDGAFQWSA-N 320.459 -0.121 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)[C@H](C)COC)C2 1147211824 HDVDPCBOXLGFGS-CYBMUJFWSA-N 307.394 -0.447 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)C[C@H]1CCCCC(=O)N1 1149111984 IGFCIHXDAQVBTQ-CHWSQXEVSA-N 322.409 -0.721 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)[C@@H]1CCCOC1 1152326615 ONXBYYDRHULILW-ZIAGYGMSSA-N 309.410 -0.011 30 20 DBED C#CCCN(CC)[C@H](C)CNC(=O)CN1CCN(C)C(=O)C1 1154092122 CTPUCTDUJXRPLE-CQSZACIVSA-N 308.426 -0.390 30 20 DBED Cn1cnn(CC(=O)NCCC2=CCN(CC#N)CC2)c1=O 1160552790 ZFKBFHXTTZOTRZ-UHFFFAOYSA-N 304.354 -0.756 30 20 DBED C[C@@H](Cc1cnn(C)c1)C(=O)NCCCNCC(=O)NCC#N 1169595151 UCDLBTDMGUZPKI-LBPRGKRZSA-N 320.397 -0.666 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)Cc1c(C)n[nH]c1C 1175904919 XREWNXDUEXQGHI-ZDUSSCGKSA-N 319.409 -0.197 30 20 DBED C#CCNC(=O)CNCCCNC(=O)CC[C@@]1(C)CCC(=O)N1 1177615362 VPXXYTBYYZAAFE-INIZCTEOSA-N 322.409 -0.719 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CCCNC2=O)[C@H]1C 1178944991 MGBFBCGALUHNHX-AVGNSLFASA-N 322.409 -0.606 30 20 DBED C=CCNC(=O)CNC[C@]1(C)CN(C(=O)CNC(C)=O)C[C@H]1C 1180430344 GLDONDNEWCPDQH-MLGOLLRUSA-N 324.425 -0.501 30 20 DBED NC(=O)NCC(=O)N1CC[C@@H](NCC#Cc2ccccc2)C1 1180897096 BLCPCIDONGAAIE-CQSZACIVSA-N 300.362 -0.103 30 20 DBED N#CCNC(=O)CN[C@@H]1CCN(C(=O)COC2CCCC2)C1 1181167649 FMHGNFWFDSPEGI-GFCCVEGCSA-N 308.382 -0.224 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)CCCCC(N)=O)C1 1186949349 MWINAJQCJOSBAL-CHWSQXEVSA-N 324.425 -0.087 30 20 DBED COCC#CCN(C)[C@H]1CCN(C(=O)c2nnn(C)c2C)C1 1189498801 CIGSHYUFNRXLDY-ZDUSSCGKSA-N 305.382 -0.080 30 20 DBED CC(C)C#CC(=O)N1CC[C@H](N(C)[C@@H]2CCC(=O)NC2=O)C1 1190054847 UGYONGYLQGUFFF-QWHCGFSZSA-N 305.378 -0.016 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)CN2CCC[C@H]2C)C1 1192343225 NRJJKITWQQDZFC-CABCVRRESA-N 320.437 -0.247 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(CCNC(=O)NC(C)C)C[C@H]1O 1192510729 QCUJIKYAJLKAQB-ZIAGYGMSSA-N 324.425 -0.341 30 20 DBED CCn1nncc1CN1C[C@@H](O)[C@H](NC(=O)C#CC(C)C)C1 1192751963 OFCUKXDMTQUWCJ-ZIAGYGMSSA-N 305.382 -0.381 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)C(C)(C)CN2CCOCC2)C1 1194076450 QKVKKGJCAAMJIF-ZIAGYGMSSA-N 309.410 -0.861 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)c2c[nH]nc2CC)C1 1194376463 WGEGFWHNBVEXNL-ZIAGYGMSSA-N 308.382 -0.050 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@H]1CCN(C(=O)CCCC(N)=O)C1 1194485980 YNTXYKOCKPFASW-OLZOCXBDSA-N 322.409 -0.687 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)CC(=O)NCC(F)(F)F)C1 1197333730 FOJCCNRRIBFFKP-NXEZZACHSA-N 321.299 -0.760 30 20 DBED CC#CCN1CCCN(C(=O)CCCN2C(=O)CNC2=O)CC1 1198065122 HZCMJRQFDKLBLO-UHFFFAOYSA-N 320.393 -0.124 30 20 DBED COc1ccccc1[C@@H](CNC(=O)CNC(N)=O)NCC#N 1198516058 SJTRKSFKPHWYJL-LLVKDONJSA-N 305.338 -0.366 30 20 DBED CC(C)NC(=O)CNC[C@@H]1CN(C(=O)[C@@H](C)C#N)CCCO1 1200114375 CWSLGAWGDJTYMP-QWHCGFSZSA-N 310.398 -0.122 30 20 DBED C=CCNC(=O)[C@H](C)NC1CCN(C(=O)c2ncn(C)n2)CC1 1200388703 FLRCOXQUEZMEHH-NSHDSACASA-N 320.397 -0.300 30 20 DBED C=C(Br)CNC[C@H]1CN(C(=O)C(N)=O)CCCO1 1201302319 PWRVTJWOHMIPLM-VIFPVBQESA-N 320.187 -0.413 30 20 DBED C=CCCNC1CCN(C(=O)CN2CCN(C)C(=O)C2)CC1 1201356191 IXODBRRGNJNDHX-UHFFFAOYSA-N 308.426 -0.083 30 20 DBED N#CCNC[C@H]1CN(C(=O)C2CCN(C(N)=O)CC2)CCCO1 1202021405 LBRKUAKTXVHJKM-ZDUSSCGKSA-N 323.397 -0.492 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1C[C@H](NCCCO)C12CCC2 1202782142 FJVDHALKWAOEHF-QWHCGFSZSA-N 307.394 -0.475 30 20 DBED CNS(=O)(=O)CCC(=O)N1C[C@H]2CC[C@H]1[C@H](NCC#N)C2 1204343789 IUXMEKWWJREBEH-TUAOUCFPSA-N 314.411 -0.582 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2nncn2C)C[C@H]1C 1206960070 QRUGRBOGCBFAQY-CHWSQXEVSA-N 305.382 -0.209 30 20 DBED Cc1nc(C)c(C(=O)N2CCC[C@H](NCC(=O)NCC#N)C2)[nH]1 1209677485 FVCOGKMOVZYDTF-LBPRGKRZSA-N 318.381 -0.139 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)[C@@H](CC)NC(C)=O)C1 1209756253 UIXPTXFGHSXFOK-UONOGXRCSA-N 322.409 -0.769 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CCN(C)CC)C[C@H]1C 1216229549 JYNQISQUMZBRIN-RBSFLKMASA-N 322.453 -0.097 30 20 DBED C=CCCCN[C@@H]1CN(C(=O)CS(=O)(=O)NC)C[C@H]1C 1216778479 KQEBFRXXNXYALX-VXGBXAGGSA-N 303.428 -0.062 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)C[C@@H](C)SC)C1 1219484340 OYAHMNDBBUWEGY-UPJWGTAASA-N 300.424 -0.061 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(Cc2cnns2)C[C@@H]1O 1219536443 QQDOZSUAHZDFPH-NTZNESFSSA-N 312.395 -0.474 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CN(CC(=O)Nc2ccon2)C[C@@H]1O 1219594696 SLIQNCALQPKTOO-NEPJUHHUSA-N 318.333 -0.812 30 20 DBED C=C1CCC(C(=O)N[C@@H]2CN(C[C@@H](O)COC)C[C@@H]2O)CC1 1220275302 SVEHLYFGGQNHQG-KFWWJZLASA-N 312.410 -0.099 30 20 DBED C=CCN1CC[C@@H]2CN(C(=O)CCNS(C)(=O)=O)[C@@H]2C1 1221589560 VSIATHWKGBMMGR-VXGBXAGGSA-N 301.412 -0.356 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC(CNC(=O)c2nc[nH]n2)CC1 1224895440 VWAJJXDENIASEM-NSHDSACASA-N 318.381 -0.616 30 20 DBED NC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C#CC1CC1 1226111159 BPIAKYOMXSVDAU-VXGBXAGGSA-N 306.366 -0.388 30 20 DBED CC(C)[C@H](NS(C)(=O)=O)C(=O)NC1CCN(CC#N)CC1 1229508618 OHQOSRDTAOOOML-LBPRGKRZSA-N 316.427 -0.336 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@H]1CN(C)C(=O)c1cc[nH]n1 1230824143 TWVKWQRDVPPZMI-RYUDHWBXSA-N 303.366 -0.306 30 20 DBED C[C@H](c1nnnn1C)N(C)CCCNC(=O)CSCC#N 1234154368 JPZLVVMBSQGVDH-SNVBAGLBSA-N 311.415 -0.034 30 20 DBED C=CCNC(=O)CNC(=O)Cn1ncc2ccccc2c1=O 1320107957 HXQNWNYTRAZWNO-UHFFFAOYSA-N 300.318 -0.185 30 20 DBED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc([S@@](C)=O)cc1 1320230812 QURAQKFYZWDBPT-JOCHJYFZSA-N 323.374 -0.219 30 20 DBED C#CCOCCNC(=O)C(=O)Nc1cc(C)n(CCC#N)n1 1320924370 GSYOBPIWXCVIGR-UHFFFAOYSA-N 303.322 -0.190 30 20 DBED Cn1nc(C(=O)NCc2ccc(C(=O)NO)cc2)ccc1=O 1321037217 NROXAJDQAIODLZ-UHFFFAOYSA-N 302.290 -0.171 30 20 DBED C=C[C@@H](COC)NC(=O)c1cnc2c(c1)c(O)nc(=O)n2C 1321270721 JBFHEDVNCLREFZ-VIFPVBQESA-N 304.306 -0.035 30 20 DBED CC#CCN(C)C(=O)C(=O)N1CCN(c2ccnc(C)n2)CC1 1325311155 ZKRBWCJERWWRIB-UHFFFAOYSA-N 315.377 -0.085 30 20 DBED C#CCNC(=O)C1CCN(C(=O)CN(C)C(=O)COC)CC1 1327141019 PSHICMHVDFNUOA-UHFFFAOYSA-N 309.366 -0.921 30 20 DBED CCCN(CC)CCNC(=O)C(=O)N1CC[C@](O)(CC#N)C1 1328303790 XFEOZOARDBXSEJ-OAHLLOKOSA-N 310.398 -0.288 30 20 DBED C[C@@H]1CC2(CCNCC2)CN1C(=O)C(=O)N1CCO[C@@H](C#N)C1 1329125046 HMDSZZGNAYUPCH-OLZOCXBDSA-N 320.393 -0.272 30 20 DBED CCN(CCOCCC#N)CC(=O)N[C@H]1CCS(=O)(=O)C1 1330326906 FFDXYWYEHKEAFW-LBPRGKRZSA-N 317.411 -0.458 30 20 DBED N#CCNC(=O)CNC(=O)N1CCC(OC[C@@H]2CCCO2)CC1 1330409466 OWHDCABWYMOCGE-ZDUSSCGKSA-N 324.381 -0.004 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)NCc1nnc2n1CCC2 1330958963 JMDHMEVLNOFFDM-LLVKDONJSA-N 319.365 -0.615 30 20 DBED C=CCS(=O)(=O)CCn1nnnc1N1CCO[C@H](OC)C1 1334297409 KTQPCABBEXPTHE-JTQLQIEISA-N 317.371 -0.917 30 20 DBED C#CCN(C(=O)C(=O)N1CC[C@@H](CS(C)(=O)=O)C1)C(C)C 1335688631 HJZZOHBULXHFFP-GFCCVEGCSA-N 314.407 -0.250 30 20 DBED C#CCNCC(=O)NC[C@H](O)COc1ccc2c(c1)OCO2 1341386156 DTJCFWPYGFJRFK-NSHDSACASA-N 306.318 -0.506 30 20 DBED C=C(C)Cn1c(CO)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1343521634 BLSCLUDTWOZQIY-JTQLQIEISA-N 300.384 -0.030 30 20 DBED CC[C@@H](C)N(C)CCNC(=O)C(=O)N1CC[C@](O)(CC#N)C1 1349213721 XSFHBRHLPCUYNR-IUODEOHRSA-N 310.398 -0.290 30 20 DBED C=CCN(C(=O)C(=O)NCCN(C)C(=O)OC)[C@@H](C)COC 1350593051 FISIGTDDDZFHOU-NSHDSACASA-N 315.370 -0.150 30 20 DBED N#C[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)C1 1354460177 OESOJQACBORVDA-RYUDHWBXSA-N 318.377 -0.124 30 20 DBED N#CCCN1CCN(Cc2cc(=O)n3[nH]c(N)nc3n2)CC1 1364485119 MJASUPFOEZXLFY-UHFFFAOYSA-N 302.342 -0.969 30 20 DBED C[C@@H](CCNC(=O)c1cc(C#N)c[nH]1)NCc1nc(=O)n(C)[nH]1 1366446819 HDJJYIWURFLLMF-VIFPVBQESA-N 317.353 -0.394 30 20 DBED CNC(=O)CCCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)C#N 1374929258 FCUTZWRBJVFHLA-WOPDTQHZSA-N 306.366 -0.126 30 20 DBED C[C@H](CNC(=O)COCc1nncn1C)CNC(=O)[C@@H](C)C#N 1375765080 VIAQFXXMMDFILX-MNOVXSKESA-N 322.369 -0.640 30 20 DBED C=C(Cl)CNC[C@@H](O)CNC(=O)c1ccc(C(N)=O)[nH]1 1379241349 KVBHZLPKDNIZJK-MRVPVSSYSA-N 300.746 -0.454 30 20 DBED CNC(=O)NCC(=O)N1CCC2(C1)CN(C(=O)[C@@H](C)C#N)C2 1384561825 PXULMRZDQKOCNH-JTQLQIEISA-N 307.354 -0.864 30 20 DBED C[C@H](C#N)C(=O)NCCN(C)C(=O)CS(=O)(=O)C(C)(C)C 1388039651 JUZNDHOXDZOVAW-SNVBAGLBSA-N 317.411 -0.066 30 20 DBED COCC(=O)NCCC(=O)N[C@@]1(C)CCN(C(=O)[C@H](C)C#N)C1 1394283107 JIURRCPZQBJQHM-ABAIWWIYSA-N 324.381 -0.594 30 20 DBED CCc1nnc(N2CC[C@](F)(C#N)C2)n1Cc1nnn(C)n1 1395943899 IVPJCMQZACCPQN-LBPRGKRZSA-N 305.321 -0.146 30 20 DBED Cn1c(=O)[nH]c(NC[C@H](CO)Cc2cccnc2)c(C#N)c1=O 1413888734 ONYQKVKZXIGHCK-LLVKDONJSA-N 315.333 -0.397 30 20 DBED CNC(=O)Cc1noc(Cn2c3c(cc(C#N)c2=O)CCC3)n1 1421451652 YENLVVVLPIGASI-UHFFFAOYSA-N 313.317 -0.072 30 20 DBED C[C@@H](CNC(=O)c1ccc(C(N)=O)nc1)N(C)C(=O)[C@H](C)C#N 1424181515 AMPYEDVKBCRNAG-ZJUUUORDSA-N 317.349 -0.083 30 20 DBED C=C(Cl)CN(C)CCNC(=O)CCn1ncn(C)c1=O 1480895285 UFPHWRLFLACAEK-UHFFFAOYSA-N 301.778 -0.228 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CCCN(C(=O)CS(C)(=O)=O)C1 1492196102 MHEZHRYPMIXJHC-ZJUUUORDSA-N 301.368 -0.702 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)CNC(=O)O 1573311745 XSZWKTBSADSMOY-UTUOFQBUSA-N 323.349 -0.506 30 20 DBED C=CCOCC(=O)N[C@@H]1CCC[C@@H]1CNC(=O)CNC(=O)O 1573369491 UGEWUTLRIDKBOP-GHMZBOCLSA-N 313.354 -0.142 30 20 DBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H](O)CC(=O)O 1573653799 CSKKSZFDKVOVLI-KOLCDFICSA-N 319.321 -0.779 30 20 DBED C=C(CCC(=O)OC)C(=O)NCC[C@H]1CNCCS1(=O)=O 1574849521 OKPWWCAMUAQSNJ-NSHDSACASA-N 318.395 -0.611 30 20 DBED C=C[C@@H]1OCC[C@H]1NC(=O)N1CCN[C@H]2CS(=O)(=O)C[C@H]21 1574959150 BSSPPSHWLULCET-KXNHARMFSA-N 315.395 -0.890 30 20 DBED C[C@H]1CCN(c2cnc(-c3nn[nH]n3)c(C#N)n2)CC[S@]1=O 1576213568 CUFOFEHDXAMPSI-QSIZCVBASA-N 318.366 -0.124 30 20 DBED N#CCCN(CCN1CCOCC1)C(=O)[C@@H]1NCc2n[nH]cc21 1580051441 HLKZYNLPZOFNBG-CQSZACIVSA-N 318.381 -0.372 30 20 DBED N#Cc1cc(=O)n(CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)cn1 1581863424 NWPVTDNYTOMPOT-UHFFFAOYSA-N 322.288 -0.066 30 20 DBED C=CCn1cc(CNC(=O)N2CC[C@@](OC)(C(=O)O)C2)nn1 1588909380 RMXTUJWETBJDPQ-ZDUSSCGKSA-N 309.326 -0.151 30 20 DBED CN(CCN=c1cc[nH]cc1-c1nn[nH]n1)C(=O)C#CC1CC1 1591107350 PJCJRXZIOAMUIT-UHFFFAOYSA-N 311.349 -0.033 30 20 DBED C[C@@H](CC(=O)O)N1CCN(C(=O)[C@H](C)n2cnc(C#N)n2)CC1 1592405917 IUANPVBPKPUNJO-QWRGUYRKSA-N 320.353 -0.282 30 20 DBED N#C[C@]1(F)CCN(C(=O)NCCn2cnc(-c3nn[nH]n3)n2)C1 1592670436 AKEYGFOGJNUISU-LLVKDONJSA-N 320.292 -0.895 30 20 DBED N#Cc1nc(NC(=O)c2cncc(C=O)c2)[nH]c1-c1nn[nH]n1 1592681456 DGROKDZIIVHMNW-UHFFFAOYSA-N 309.249 -0.079 30 20 DBED CCN(CCNC(=O)[C@@H]1C[C@@H]1C(=O)O)C(=O)CSCC#N 1596333141 NIEUJJDTJDJZBN-ZJUUUORDSA-N 313.379 -0.071 30 20 DBED COc1cc(C(=O)N[C@H]2CCN(O)C2=O)ccc1-c1nn[nH]n1 1605196333 QGGITOQGOKHFBT-VIFPVBQESA-N 318.293 -0.405 30 20 DBED CN(C)CCCNC(=O)Cn1cc(C(=O)O)cc(C#N)c1=O 1606028643 YBLFUCASIKJMNO-UHFFFAOYSA-N 306.322 -0.514 30 20 DBED N#CCNC(=O)CNC(=O)C(=O)Nc1ccc(F)c(C(=O)O)c1 1610623392 ZEYBJBOVNITPGW-UHFFFAOYSA-N 322.252 -0.782 30 20 DBED N#Cc1ccc(C(=O)NCC2(O)CCS(=O)(=O)CC2)cc1O 1645783379 QPKPEIGZJPVWAX-UHFFFAOYSA-N 324.358 -0.067 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CCCCN2CC)C1 1690688853 KBPZQHFSPKKNAW-GJZGRUSLSA-N 320.437 -0.199 30 20 DBED C=CCNC(=O)[C@@H](C)NC[C@H]1CCCN1C(=O)C(C)(C)C(N)=O 1714338678 NEZZWFTZJPMIJA-VXGBXAGGSA-N 324.425 -0.231 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CCCN2C(C)C)C1 1731432631 GBSPCWYQXQOACL-GJZGRUSLSA-N 320.437 -0.201 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@H]1CCN(C(=O)c2cnon2)C1 1752954031 NVOVLHPUCHAUAG-GHMZBOCLSA-N 305.338 -0.741 30 20 DBED C[C@H]1C[C@@H](C(=O)NCC[C@@H](C)NCC(=O)NCC#N)CCN1C 1753013046 VXNOBNIQVPKEOS-RDBSUJKOSA-N 323.441 -0.159 30 20 DBED CCCN(CC#CCOC)CCNC(=O)[C@@H]1CC[C@H]1C(N)=O 1753146481 XDIMSKXPLWKSRI-ZIAGYGMSSA-N 309.410 -0.024 30 20 DBED C#CCNC(=O)[C@@H](C)N(CCNC(=O)c1cnccn1)C1CC1 1753151815 NGERLDWITUXDNO-GFCCVEGCSA-N 315.377 -0.191 30 20 DBED C#CCNC(=O)CNCCN(C)C(=O)c1cnc2[nH]cnc2c1 1753192950 AVTVVWRSRIEHOG-UHFFFAOYSA-N 314.349 -0.631 30 20 DBED C#CCNC(=O)CN(C)C[C@H]1CCN(C(=O)CCCOC)C1 1753357139 RLZVFBYDHJEMIB-CQSZACIVSA-N 309.410 -0.057 30 20 DBED CC[C@H](CNC(=O)c1cccn(C)c1=O)NCC(=O)NCC#N 1753495470 IDGLVYOTNSGRGM-LLVKDONJSA-N 319.365 -0.877 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H](O)CNCc1nnc(C)s1 1753911212 MQOCJROQHLTHRZ-KOLCDFICSA-N 312.395 -0.548 30 20 DBED C=C(C)CCNC[C@@H](O)CNC(=O)C1CCS(=O)(=O)CC1 1753929665 HCGYMZRFVQLAHK-CYBMUJFWSA-N 318.439 -0.156 30 20 DBED Cc1noc(C)c1C(=O)NC[C@H]1CCN1CC(=O)NCC#N 1754472227 MULZQUNZKVXQAN-LLVKDONJSA-N 305.338 -0.265 30 20 DBED CN(C)CCCCC(=O)N(C)C1CN(CC(=O)NCC#N)C1 1754585896 HHDPQOWUIOLKFB-UHFFFAOYSA-N 309.414 -0.499 30 20 DBED C=CCN1CC[C@@H](N2CCC[C@](C)(CNC(=O)C(N)=O)C2)C1=O 1754729539 LVQCEBXAYIOUKI-MLGOLLRUSA-N 322.409 -0.523 30 20 DBED COCC#CCN1CCC[C@@](C)(CNC(=O)[C@H]2CCNC2=O)C1 1754735739 JJMUFEXJLMFGMC-YOEHRIQHSA-N 321.421 -0.009 30 20 DBED CC#CCCCC(=O)NCC1(O)CN(CCn2cncn2)C1 1754772354 GCICDLIJNCKZJL-UHFFFAOYSA-N 305.382 -0.365 30 20 DBED C=CCOCCN1CC(O)(CNC(=O)[C@@]2(F)CCOC2)C1 1754772940 XNLWYZKWDAXXHO-CQSZACIVSA-N 302.346 -0.520 30 20 DBED C=CCN1CCC[C@@](CO)(NC(=O)COCc2nncn2C)C1 1754859453 XOKXFLWSZDHNPH-OAHLLOKOSA-N 323.397 -0.539 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)c2cnon2)C[C@H]1C 1755167267 METJFORLEBLJNX-MNOVXSKESA-N 307.354 -0.046 30 20 DBED C=C1CC(C)(C(=O)NC2(CCO)CN(CC(=O)N(C)C)C2)C1 1755336044 FAGYJOALNVLTSY-UHFFFAOYSA-N 309.410 -0.016 30 20 DBED C#CCOc1ccc(C(=O)NC[C@@H](CO)NCC(=O)NC)cc1 1755640780 QGLHNSLVOHYYNC-ZDUSSCGKSA-N 319.361 -0.875 30 20 DBED COCC#CCN[C@@H](CO)CNC(=O)c1cc(C2CC2)no1 1755641267 YKIXRVQDPOQHDY-GFCCVEGCSA-N 307.350 -0.118 30 20 DBED C#CCNC(=O)CNC[C@H]1CC[C@@H](NC(=O)c2cn(C)cn2)C1 1755730187 XXDXYBTUWMDNFF-QWHCGFSZSA-N 317.393 -0.342 30 20 DBED C=C(C)CNC[C@H](O)CN(C)C(=O)CCn1cnccc1=O 1755791894 QBWIXWKARYGERV-ZDUSSCGKSA-N 308.382 -0.382 30 20 DBED CN(C(=O)Cc1ccc[nH]1)C1CC(NCC(=O)NCC#N)C1 1755866024 ZXHIDMDBMVRAEP-UHFFFAOYSA-N 303.366 -0.224 30 20 DBED C#CCOCCC(=O)N[C@@H](C)CN(C)C(=O)[C@@H](C)NC(C)=O 1756429601 RULSRWXJDVVUHD-NWDGAFQWSA-N 311.382 -0.486 30 20 DBED C=CCOCC(=O)NC[C@H](CO)NC(=O)[C@H](F)C(F)(F)F 1756520533 YFQQISSDGLMCNI-APPZFPTMSA-N 316.251 -0.317 30 20 DBED C=CCCC(=O)NC[C@H](CO)NC(=O)[C@H](C)N1CCOCC1 1756520541 YHADXSQRWGLHJV-QWHCGFSZSA-N 313.398 -0.733 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCCN(C(=O)CC(=O)NC)[C@@H]1C 1756624357 KEQBHNUUYBEWNT-CHWSQXEVSA-N 323.393 -0.342 30 20 DBED COCCN(CCNC(=O)C#CC1CC1)C(=O)C1(C(N)=O)CC1 1756726746 PQXSTQGKYRKBEF-UHFFFAOYSA-N 321.377 -0.744 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CN(C(=O)c2csnn2)C[C@H]1O 1756995853 OKJPJOQLZXAFRJ-MWLCHTKSSA-N 306.347 -0.747 30 20 DBED C/C=C(/C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800778868 IVUXWRXBFOQBNK-RUQNZBDHSA-N 320.345 -0.370 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)c1cccc(S(=O)(=O)NC)c1 23286934 QUIITVVHRCHAHT-JTQLQIEISA-N 324.358 -0.111 30 20 DBED CCN(CCn1cnc2c1c(=O)n(C)c(=O)n2C)C[C@H](C)C#N 155267205 LHBHRBKZPSIZJO-LLVKDONJSA-N 318.381 -0.085 30 20 DBED CC(=O)NCCNC(=O)C(=O)N1CCc2ccc(C#N)cc21 270125111 AEWPQLNYXJOTIW-UHFFFAOYSA-N 300.318 -0.300 30 20 DBED CCS(=O)(=O)NCCNS(=O)(=O)c1cccnc1C#N 277038874 PADBITXELAAXSX-UHFFFAOYSA-N 318.380 -0.829 30 20 DBED C=C(C)[C@H]1OCC[C@H]1CNC(=O)CN1CCN(CC)C(=O)C1=O 281335182 JNDFXGOEDFHJQA-GXTWGEPZSA-N 323.393 -0.226 30 20 DBED CS(=O)(=O)NCCN1CC[C@@H](Oc2ccc(C#N)cn2)C1 292162351 LBYABIKIPYKFQN-GFCCVEGCSA-N 310.379 -0.044 30 20 DBED C[C@H](NS(=O)(=O)c1cncc(C#N)c1)C(=O)N1CCOCC1 320631811 SZSGGLNIJDWSIX-JTQLQIEISA-N 324.362 -0.521 30 20 DBED C[C@@H]1CN(/C(O)=N/Cc2ncn(C)n2)C[C@@H]1N1CCOCC1 329043375 FCAOQQJFRAYQJQ-NEPJUHHUSA-N 308.386 -0.118 30 20 DBED C[C@H](O)[C@H](/N=C(/O)C1CC1)C(=O)N1C[C@@H]2OCCN(C)[C@@H]2C1 329401701 YFTKTEMRNSDXRZ-RYDUCSDGSA-N 311.382 -0.356 30 20 DBED CN1CCO[C@H](C/N=C(/O)NC[C@H]2CCCCS2(=O)=O)C1 329642085 IMKUKOZKTJAVOB-VXGBXAGGSA-N 319.427 -0.212 30 20 DBED CCCC/N=C(/O)NC(=O)CN1CCO[C@@H](C(=O)NC)C1 330793855 DFKUKPZIBNQGJN-SNVBAGLBSA-N 300.359 -0.737 30 20 DBED CCNC(=O)[C@H](C)/N=C(/O)N[C@@H]1CCc2nc(COC)nn2C1 330967310 DRISSCYCSQMBNE-VHSXEESVSA-N 324.385 -0.233 30 20 DBED CN(CC[C@H]1CCCO1)S(=O)(=O)N1CCO[C@H](C#N)C1 337158350 QUFDGEXIEIUECX-VXGBXAGGSA-N 303.384 -0.044 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)c2c(C)nn(C)c2N)CC1 339838613 SWVMHZYPGNPXHR-UHFFFAOYSA-N 320.397 -0.629 30 20 DBED C[C@H]1CN(CC#CCN2CC[S@@](=O)[C@H](C)C2)CC[S@]1=O 341868594 HANVFQFEVMKYEF-RYMBOPBQSA-N 316.492 -0.105 30 20 DBED C[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc(C#N)o1 344516185 PBEVYLOAEKZQDR-MRVPVSSYSA-N 304.349 -0.041 30 20 DBED CC(C)(C)[C@@H]1NC(=O)CC[C@@H]1NC(=O)NCC(=O)NCC#N 347693529 XBLKVNRCZWIKND-JOYOIKCWSA-N 309.370 -0.381 30 20 DBED CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CCCC1 349573927 LAZWIRSPBAGFNX-UHFFFAOYSA-N 323.440 -0.023 30 20 DBED COC(=O)CN(CC#N)C(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O 353562444 CJPKRIQYHWFUHI-GHMZBOCLSA-N 321.333 -0.313 30 20 DBED C[C@@H](NC(=O)NCCn1cnc(C#N)n1)C(=O)NC(C)(C)C 357860537 KPXNLUZDDNOTFK-SECBINFHSA-N 307.358 -0.248 30 20 DBED N#Cc1ccc(N2CCN(C(=O)C(=O)NCCN)CC2)c(F)c1 419839260 QCYDNFPCBFGAFU-UHFFFAOYSA-N 319.340 -0.579 30 20 DBED Cn1cc(C#N)c(=O)n(Cc2nnnn2CC(F)(F)F)c1=O 428073124 VVLZWGFKEVDCRR-UHFFFAOYSA-N 315.215 -0.984 30 20 DBED C#CCN(CC#N)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 490986448 SAEQXPIZAKQIBT-UHFFFAOYSA-N 317.326 -0.184 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)C2CCN(C)CC2)CC1 491349238 HROSVABCAKINSJ-UHFFFAOYSA-N 306.410 -0.778 30 20 DBED N#CC1(CNC(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)CC1 562436961 MODSKPAXPUXTHA-WFFHOREQSA-N 317.345 -0.041 30 20 DBED CNC(=O)[C@]1(C)CCN(C(=O)C(=O)Nc2cccc(C#N)n2)C1 564948051 QLVJOMFWMKRYAO-OAHLLOKOSA-N 315.333 -0.124 30 20 DBED COC[C@@H](O)CCNCCS(=O)(=O)c1ccc(C#N)cn1 579231507 IKJQJQPRVXVZKO-LBPRGKRZSA-N 313.379 -0.286 30 20 DBED N#CCNC(=O)CNC(=O)N[C@H]1CCN(C2CCCCC2)C1=O 588167073 IQSSXWQQGXMYNE-LBPRGKRZSA-N 321.381 -0.141 30 20 DBED N#Cc1cncc(S(=O)(=O)N[C@H](C(=O)O)[C@H]2CCOC2)c1 589542955 OZLQBHVYKBEJRJ-ONGXEEELSA-N 311.319 -0.279 30 20 DBED C[C@@H]1CN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC[C@@H]1C(=O)O 600800455 LNDUAPSXEDYZRJ-BDAKNGLRSA-N 306.322 -0.497 30 20 DBED CCOC[C@@H](C(=O)OC)N(C)S(=O)(=O)N(C)[C@@H](C)CC#N 619750874 LCEHXORJCSMRCK-QWRGUYRKSA-N 321.399 -0.025 30 20 DBED Cn1c(Cl)cnc1CNc1c(C#N)c(=O)n(C)c(=O)n1C 726593774 AMEUFCQUUWUPSU-UHFFFAOYSA-N 308.729 -0.045 30 20 DBED N#CCNC(=O)COC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O 731235646 JYLYHRKAFLHPNG-UWVGGRQHSA-N 307.306 -0.655 30 20 DBED C#CCC[C@H](O)CNS(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] 798486957 YINHXSDHZGFMIW-VIFPVBQESA-N 316.339 -0.136 30 20 DBED COC(=O)[C@@]1(F)CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)C1 800072902 YWJRFWBJAAYRLH-MWLCHTKSSA-N 321.330 -0.957 30 20 DBED C#CCN(C)C(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)cc1 802577979 ZAARGJNIXPCBTR-UHFFFAOYSA-N 314.345 -0.347 30 20 DBED COCC(=O)NC1CCN(C(=O)[C@@](C)(C#N)CC(=O)O)CC1 820702957 KKFBMCUSJYOCPR-CQSZACIVSA-N 311.338 -0.255 30 20 DBED CN(C)C(=O)CN1CCN(C(=O)COC(=O)C#CC2CC2)CC1 838367369 JWFOATJOTGLBTN-UHFFFAOYSA-N 321.377 -0.825 30 20 DBED CS(C)(=O)=NS(=O)(=O)N1CCN(C2CC2)[C@@H](C#N)C1 866777473 UIUGIKVZEIUKDN-JTQLQIEISA-N 306.413 -0.369 30 20 DBED C#CCSCC(=O)O[C@@H](C)C(=O)N1CCN(C(C)=O)CC1 885894591 ZJZFBQSZPYXFOB-NSHDSACASA-N 312.391 -0.025 30 20 DBED CN(C)CC#CCNC(=O)CNC(=O)c1ccc2c(c1)OCO2 913515372 UYZBOMZJPRYLHE-UHFFFAOYSA-N 317.345 -0.174 30 20 DBED O=C(NCC#CCO)NCCN1C(=O)c2ccccc2C1=O 923783178 CVGCRDGOAUWPIW-UHFFFAOYSA-N 301.302 -0.423 30 20 DBED C#CCN1CCN(C(=O)CN2[C@@H](C)[C@H](C)NC(=O)[C@H]2C)CC1 930830044 AKVGUQXBOKVCKL-MELADBBJSA-N 306.410 -0.639 30 20 DBED CCN(C(=O)[C@H]1CNC(=O)N1)[C@@H]1CCN(C(=O)C#CC2CC2)C1 942950780 RDMYBBDPNPNIFI-CHWSQXEVSA-N 318.377 -0.469 30 20 DBED C[C@@H](C#N)C(=O)N1CC(N(C)C(=O)c2cnc3n2CCOC3)C1 954642518 YPYIHGQHICJRES-JTQLQIEISA-N 317.349 -0.144 30 20 DBED CCc1nnc(C)cc1C(=O)NC[C@H]1CN(CC#N)C[C@@H]1O 958195870 LSHHXHRXIGGKRF-FZMZJTMJSA-N 303.366 -0.107 30 20 DBED C=CCN1C[C@H](O)[C@H](CNC(=O)c2ccn(CCOC)n2)C1 958255238 WYQGCVCVFMTWAK-OCCSQVGLSA-N 308.382 -0.262 30 20 DBED N#CCN1C[C@@H](O)[C@H](CNC(=O)c2cccc(NC(N)=O)c2)C1 958658013 SKMQCKIJBOGJJH-DGCLKSJQSA-N 317.349 -0.277 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2ccc(N(C)C)cn2)C1 958734450 ZYDNRABJMHBQOK-IUODEOHRSA-N 302.378 -0.197 30 20 DBED CCC(=O)N1CC(S(=O)(=O)N2CCN(CC#N)CC2)C1 961072662 CMOWXIZIDFRWFH-UHFFFAOYSA-N 300.384 -0.922 30 20 DBED C#Cc1ccc(C(=O)NC2[C@H]3CN(Cc4nnnn4C)C[C@H]23)cn1 962338716 CZWIYRZBMDJEHB-STQMWFEESA-N 323.360 -0.553 30 20 DBED C#CCN1C[C@H]2[C@H](NC(=O)c3c(OC)ncnc3OC)[C@H]2C1 963063986 APARNMHEPVZTBN-IAZYJMLFSA-N 302.334 -0.213 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H](NC(=O)Cn2cncn2)CC1 965199511 RVYJTTMHIBMOTO-VXGBXAGGSA-N 304.354 -0.065 30 20 DBED CC#CCN1CCO[C@@]2(CCN(C(=O)c3nccnc3N)C2)C1 972302858 CTUIFFMOJCSKTR-INIZCTEOSA-N 315.377 -0.001 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2ncc[nH]2)C1 973246764 TXYHBXLXBXNLHG-AVGNSLFASA-N 315.377 -0.116 30 20 DBED C#Cc1ccccc1CC(=O)N[C@H]1[C@@H]2CN(C(=O)C(N)=O)C[C@@H]21 976928560 WNTSEJCSPWLIQG-NHAGDIPZSA-N 311.341 -0.731 30 20 DBED C#CCCN1C[C@H]2[C@H](CNC(=O)C3CC(=O)NC(=O)C3)[C@H]2C1 978856441 MYDCGQLFIMJIKE-XYYAHUGASA-N 303.362 -0.644 30 20 DBED C[C@@H](NCc1ccc(C#N)s1)[C@H]1CN(C(=O)C(N)=O)CCO1 979361680 RCYVFNDIHKEQEQ-BXKDBHETSA-N 322.390 -0.189 30 20 DBED O=C1NCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)C#CC2CC2)C1 982740169 UZOGPPGYYABRAK-QWHCGFSZSA-N 303.362 -0.499 30 20 DBED Cc1cc(C)n(CC(=O)N2CC[C@@H](NCC#N)[C@H]2C)c(=O)n1 987270185 VBSJWOQKKADOFT-CHWSQXEVSA-N 303.366 -0.037 30 20 DBED C#CCN[C@H]1CCN(C(=O)c2nc(O)nc(O)c2OC)[C@H]1C 987347796 BHVWCQAZYHWCKT-IUCAKERBSA-N 306.322 -0.278 30 20 DBED C#Cc1ccc(C(=O)N2CCCN(CC(=O)NC)CC2)nc1 989505726 UBQJWRQFPBDLIM-UHFFFAOYSA-N 300.362 -0.043 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@@H](NC(=O)c2cnn(C)n2)[C@H](O)C1 991607052 WYVRCJQWWVPGST-ZYHUDNBSSA-N 321.381 -0.281 30 20 DBED Cn1nnnc1CN[C@@H]1CN(C(=O)C#CC2CC2)CC1(C)C 995779493 UGQVHNVKTOBXMS-GFCCVEGCSA-N 302.382 -0.050 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H](NCC(=O)N2CCOCC2)C1 998746453 NYUMSXZXHWTTHL-QWHCGFSZSA-N 308.382 -0.415 30 20 DBED C=CCN1CCC[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C1 1007454895 ALWODOZSLQBJFK-LBPRGKRZSA-N 306.366 -0.686 30 20 DBED C[C@H](C(=O)N1CCN(C(=O)C#CC2CC2)CC1)[C@@H]1CCC(=O)N1 1011110229 QNURJDLBIQEZIB-JSGCOSHPSA-N 317.389 -0.015 30 20 DBED C[C@@H]1C[C@@H](NC(=O)Cc2nc[nH]n2)CN1C(=O)C#CC1CC1 1012587061 IHBPKHPXLKORDH-ZYHUDNBSSA-N 301.350 -0.134 30 20 DBED C=C(Cl)CN1CC[C@H](NC(=O)CN2CC(=O)N(C)C2=O)C1 1015988215 UWLYEIYCTFMVEU-JTQLQIEISA-N 314.773 -0.177 30 20 DBED C=CCN1CC[C@@H](N[C@H]2CCN(C(=O)c3nonc3C)C2)C1=O 1019873701 WVTBSXOTFFEUQS-NWDGAFQWSA-N 319.365 -0.031 30 20 DBED N#CCN[C@H]1C[C@@H](NC(=O)[C@@H]2COCCN2CC(F)F)C1 1022494043 CMVMVAXXRCPEOX-AXFHLTTASA-N 302.325 -0.287 30 20 DBED Cc1cc(CC(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2O)n[nH]1 1023359702 VDHKKNXPCZFKNB-XXILOJSOSA-N 305.338 -0.892 30 20 DBED Cn1nnnc1CN[C@@H]1CC[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]21 1026265210 GPALMEKOEDWXLD-MGPQQGTHSA-N 314.393 -0.050 30 20 DBED C#CCNC1CCC(NC(=O)c2cn(C)c(=O)nc2O)CC1 1026604926 XUWOKEKPGREBMR-UHFFFAOYSA-N 304.350 -0.250 30 20 DBED Cn1nnc(CN2CCC[C@H]2CNC(=O)c2ccc(C#N)[nH]2)n1 1027834059 VBNWQQLFHOUYMK-NSHDSACASA-N 314.353 -0.196 30 20 DBED C#CCCN1CC[C@H](N(CC)C(=O)C2CC(=O)NC(=O)C2)C1 1033985661 FLVLUKNKIVWLAD-ZDUSSCGKSA-N 305.378 -0.015 30 20 DBED C#CCN[C@H]1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)CC1 1034796804 NJEWMNOJZZYHIT-XYPYZODXSA-N 304.354 -0.973 30 20 DBED C#CCCN1CCO[C@@H](CNC(=O)[C@@H]2CCCC(=O)N2C)C1 1035596161 OYWWWIHHKDWPEM-KBPBESRZSA-N 307.394 -0.162 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)c2cccc(C(N)=O)n2)C1 1035615728 ADGJVQVKVUORQZ-NSHDSACASA-N 302.334 -0.756 30 20 DBED C#CCCN1CC2(CCN(C(=O)Cn3ncn(C)c3=O)CC2)C1 1035736794 JLEHRAKVOBEODD-UHFFFAOYSA-N 317.393 -0.471 30 20 DBED Cn1cnn(CCC(=O)N2CC[C@@H]3[C@H](CCN3CC#N)C2)c1=O 1036777631 FZYNSHWIDBRZQG-CHWSQXEVSA-N 318.381 -0.582 30 20 DBED C#CCCN1CC[C@@H]2CN(C(=O)Cn3c(O)nnc3O)CC[C@H]21 1036880134 ZTKIOEKEXDIJAB-VXGBXAGGSA-N 319.365 -0.365 30 20 DBED CC1(C)CC(=O)N(CC(=O)N[C@@H]2[C@H]3C[C@H]2N(CC#N)C3)C1=O 1037407101 HPRAUHMNDOSVJU-OPQQBVKSSA-N 304.350 -0.516 30 20 DBED C#CCCN1C[C@H]2C[C@H]1[C@H]2NC(=O)c1ccc(S(N)(=O)=O)o1 1037490837 RXHPYEYIBUGQRJ-NRUUGDAUSA-N 323.374 -0.247 30 20 DBED C=CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)c1ccc(=O)n(CCOC)n1 1037500814 BKZIDRZAYIGCAL-ZLDLUXBVSA-N 318.377 -0.122 30 20 DBED Cn1nnnc1CN1CC[C@H]1CNC(=O)c1c[nH]c(C#N)c1 1038175605 QSFIPBGKVWHXFU-NSHDSACASA-N 300.326 -0.586 30 20 DBED C=C(C)CN1CC[C@H]1CNC(=O)c1cc(=O)n2[nH]cnc2n1 1038922144 PFBSSEQZNPOZJW-JTQLQIEISA-N 302.338 -0.202 30 20 DBED Cn1cnn(CC(=O)N2[C@H]3CCC[C@H]2CC(NCC#N)C3)c1=O 1039284004 AWNGZEQDJCWFJA-STQMWFEESA-N 318.381 -0.393 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@]1(O)CCN(C(=O)CCOC)C1 1039580191 OSOICQXKUNZRFS-HUUCEWRRSA-N 314.382 -0.570 30 20 DBED C[C@@H]1CN(C(=O)C(N)=O)C[C@@]1(C)CNc1ccc(C#N)nn1 1040349066 YYRUQSBUBQYJEA-YMTOWFKASA-N 302.338 -0.270 30 20 DBED C=C1CC(C)(C(=O)NC[C@@]2(O)CCN(C(=O)CC(N)=O)C2)C1 1040850405 MOIBDZXFRSRNPC-HNNXBMFYSA-N 309.366 -0.702 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3COCCO3)C2)cn1 1040928666 RRVGHIDARRQYBL-MCIONIFRSA-N 318.333 -0.966 30 20 DBED N#Cc1nccc(N2C[C@@H](O)[C@H](NC(=O)C[C@H]3CCCO3)C2)n1 1040930647 GMTVTHQUELEPCI-IJLUTSLNSA-N 317.349 -0.417 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)[C@@H]2COCCO2)C1 1041600238 AZRGKOVBGJZHAX-NSHDSACASA-N 312.366 -0.697 30 20 DBED C#CCN1CC[C@@]2(CCN(C(=O)c3cn(C)c(=O)nc3O)C2)C1 1041828093 SEEPPVDZBLRQTL-MRXNPFEDSA-N 316.361 -0.343 30 20 DBED CO[C@@H](C)CC(=O)NCC1(O)CN(C(=O)c2cc(C#N)c[nH]2)C1 1041938122 PVQWTNGVQFOCDF-JTQLQIEISA-N 320.349 -0.386 30 20 DBED C[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1NC(=O)Cn1cncn1 1041946254 NTTCZILWWQEZEG-ZYHUDNBSSA-N 312.337 -0.419 30 20 DBED C[C@@H]1CN(c2ncccc2C#N)C[C@H]1NC(=O)Cn1ncnn1 1042221598 LKOZAJIWEICYRC-ZYHUDNBSSA-N 312.337 -0.419 30 20 DBED CO[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1NC(=O)c1cocn1 1042776301 KAXNDENCLUHIDZ-ZYHUDNBSSA-N 314.305 -0.030 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)[C@H]2CCCCN2C)C1 1042805341 MJVGZGPSDOUWEI-CQSZACIVSA-N 321.421 -0.036 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(O)CN(C(=O)COCCC)C1 1042806490 HDLDZRWGTNOPOA-CQSZACIVSA-N 314.382 -0.570 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)[C@@H]2CO[C@@H](C)C2)C1 1042940669 DTBQKXGUWRDVTP-STQMWFEESA-N 308.378 -0.240 30 20 DBED N#CCSCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]2C2CC2)C1 1043226794 YXELCYSGPLYSOF-NWDGAFQWSA-N 323.418 -0.021 30 20 DBED C#CCCN1CC(N(C)C(=O)c2ccc(=O)n(CCOC)n2)C1 1043267791 CPSSJUNXZOLWBP-UHFFFAOYSA-N 318.377 -0.331 30 20 DBED C=C(C)CCC(=O)NCC1(O)CN(C(=O)CCNC(N)=O)C1 1043320660 XOQRYRKXIAQTCD-UHFFFAOYSA-N 312.370 -0.909 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)C2(N(C)C)CCC2)C1 1043451166 YUHFTFVRJVJLGA-NSHDSACASA-N 308.382 -0.680 30 20 DBED COC1CC(C(=O)N[C@@H]2CN(c3nccnc3C#N)C[C@@H]2O)C1 1044267440 QBJCCMGLGHNEKE-UHGWMABZSA-N 317.349 -0.561 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)Cc2cncnc2)C1 1044456194 QSWMHBXHOIMWOW-UHFFFAOYSA-N 318.377 -0.079 30 20 DBED Cc1nocc1C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@@H]1O 1044473736 SBGQRXQHYSJTCI-NEPJUHHUSA-N 314.305 -0.376 30 20 DBED CC#CCCCC(=O)NCC1(O)CN(C(=O)Cn2nccn2)C1 1044994731 YGVJTWYQIDPFMR-UHFFFAOYSA-N 319.365 -0.839 30 20 DBED COCCC[C@H](C)C(=O)N1CC(O)(CNC(=O)[C@H](C)C#N)C1 1045550906 BPIKCTLTUXZNJR-NWDGAFQWSA-N 311.382 -0.102 30 20 DBED CCc1n[nH]cc1C(=O)N1CC(O)(CNC(=O)[C@@H](C)C#N)C1 1045564639 KFKXEVJALLZLRB-VIFPVBQESA-N 305.338 -0.565 30 20 DBED N#CCN1CC[C@@H](N2CCN(C(=O)Cc3cncnc3)CC2)C1 1046028139 RFPLXCOEVFFQHG-OAHLLOKOSA-N 314.393 -0.239 30 20 DBED C#CCN1CC[C@@H](N2CCN(C(=O)[C@H]3CCN(C)C3=O)CC2)C1 1046055101 NWNJAGHMXYYCLT-CABCVRRESA-N 318.421 -0.684 30 20 DBED CN1CC[C@@H](C(=O)N[C@]2(C)CCN(CC#N)C2)S1(=O)=O 1046700264 ZMGZADYLXJXLAV-CMPLNLGQSA-N 300.384 -0.876 30 20 DBED N#Cc1nc(=N[C@H]2C[C@H](CNC(=O)[C@H]3C[C@H]3C(N)=O)C2)cc[nH]1 1047019922 RGPSLCBXVBZQQG-DBIOUOCHSA-N 314.349 -0.802 30 20 DBED C[C@H]1C[C@@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CSCC#N)C1 1048301509 CGMMIJBPYTYSMB-BJDJZHNGSA-N 311.407 -0.071 30 20 DBED N#CCN1C[C@@H]2CCCN(C(=O)C3CC(=O)NC(=O)C3)[C@@H]2C1 1050161317 QTWSLJHOXWHHQZ-CMPLNLGQSA-N 304.350 -0.514 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)c1cccc(C(N)=O)c1 1050987320 RLRDSKZNAJTNQI-AWEZNQCLSA-N 301.346 -0.151 30 20 DBED N#Cc1nccc(N2CC[C@@H](NC(=O)c3cn[nH]c3)[C@@H](O)C2)n1 1051627007 WVSPELNFKARMDD-MNOVXSKESA-N 313.321 -0.559 30 20 DBED Cc1c(C(=O)N2CC[C@@H](N3CCN(CC#N)CC3)C2)nnn1C 1052002179 DUPLTZMHWPHSHM-CYBMUJFWSA-N 317.397 -0.521 30 20 DBED CC#CCN1CC2(CC[C@H](CNC(=O)[C@H]3CNC(=O)N3)O2)C1 1053653953 ALQADYWGAJEWBG-VXGBXAGGSA-N 306.366 -0.959 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)[C@H]3CC(=O)N(CC)C3)CO2)C1 1053820776 LSQMENDERQQERN-KBPBESRZSA-N 319.405 -0.162 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)[C@@H]3CCC(=O)NC3)CO2)C1 1053855312 KDQXBWSGEJXOIB-CHWSQXEVSA-N 305.378 -0.505 30 20 DBED CCn1nc(C(=O)N[C@H]2COC3(C2)CN(CC#N)C3)ccc1=O 1053959655 DIGMTPROMZBWFY-LLVKDONJSA-N 317.349 -0.640 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@](CO)(NC(=O)Cc2ncc[nH]2)C1 1056080228 PDTQCJSXVSAKFP-ABAIWWIYSA-N 319.365 -0.418 30 20 DBED C[C@@H](C#N)C(=O)N[C@@]1(CO)CCCN(C(=O)C2=CCOCC2)C1 1056094883 YCFNMTYBAJVDNJ-LRDDRELGSA-N 321.377 -0.038 30 20 DBED C=CCn1cccc1C(=O)NCCN(CCO)C(=O)COC 1056792389 NKPIVFSUFDQLKN-UHFFFAOYSA-N 309.366 -0.129 30 20 DBED C=CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)[C@@H](C)OC 1057114939 WJFUIAGPVAYJNC-NWDGAFQWSA-N 302.371 -0.451 30 20 DBED Cn1cc(C(=O)N2CCCN(c3ccnc(C#N)n3)CC2)nn1 1057135883 LVNFKUXJGNMGQE-UHFFFAOYSA-N 312.337 -0.171 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)C[C@@H](C)COC 1057194846 QOBCMJZCMOFJBR-CYBMUJFWSA-N 316.398 -0.201 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)[C@H]1CC[C@@H](C)O1 1057196543 MKLBVXZCWGGEKA-CHWSQXEVSA-N 314.382 -0.306 30 20 DBED N#Cc1cc(C(=O)N(CCO)CCNC(=O)c2cc[nH]n2)c[nH]1 1057391601 FJAJRRKMLWCSCV-UHFFFAOYSA-N 316.321 -0.526 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)[C@@H]1CC[C@H]1C(N)=O 1058294091 IHAVZRLBZRIIDW-CHWSQXEVSA-N 323.393 -0.906 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1C[C@@H](NC(=O)[C@@H]2CCC(=O)NC2)C1 1059878911 PIRIVJNMBLORCX-RTXFEEFZSA-N 313.361 -0.040 30 20 DBED N#Cc1cnc(NC[C@@H]2CCN(C(=O)[C@@H]3COC(=O)N3)C2)cn1 1060865199 MGIFAUZAAHICSU-ONGXEEELSA-N 316.321 -0.283 30 20 DBED N#Cc1cncc(N2CCC[C@@H]2CNC(=O)[C@@H]2CNC(=O)N2)n1 1061441306 UXBLJRDIZRVNKH-MNOVXSKESA-N 315.337 -0.885 30 20 DBED Cc1nccc(C(=O)N2CCOC[C@@H]2CNC(=O)[C@H](C)C#N)n1 1061853156 QEVGNRGIYAQFIV-PWSUYJOCSA-N 317.349 -0.098 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(C(=O)c2cn[nH]c2)CCO1 1064896296 PBQXGMDVKSXULT-ZDUSSCGKSA-N 302.334 -0.220 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)Cn2cnnc2O)CCO1 1065068622 LWDDHGLAKDWSKG-LLVKDONJSA-N 323.353 -0.707 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@H]1CN(C(=O)c2cnon2)CCO1 1065507654 QDSZBXJTYTYTRB-HZMBPMFUSA-N 324.337 -0.646 30 20 DBED C=CCOCC(=O)N(C)CCCN(C)C(=O)CN(C)C(C)=O 1066875209 XBNHTCBBEMZULT-UHFFFAOYSA-N 313.398 -0.026 30 20 DBED C[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@@H]1N=c1cc[nH]cc1C#N 1067177295 ZACUOHOMDFBZRH-SKDRFNHKSA-N 312.337 -0.529 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@@H](CNC(=O)c3cnccn3)C2)cn1 1067646337 ZMXACDMMYLGGNB-XHDPSFHLSA-N 324.344 -0.030 30 20 DBED N#Cc1nccnc1N1C[C@H](O)[C@H](CNC(=O)c2cocn2)C1 1067652764 FRNFKKQQGIEYDK-SKDRFNHKSA-N 314.305 -0.437 30 20 DBED C=CCCCC(=O)N1CC2(C[C@@H](NC(=O)CNC(N)=O)CO2)C1 1068690870 VEOPAPUYNBZQQM-LLVKDONJSA-N 324.381 -0.503 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1COC2(C1)CN(C(=O)c1ccon1)C2 1069004080 SVKODTJTNLEYPW-UWVGGRQHSA-N 304.306 -0.066 30 20 DBED C=CCCC(=O)NCC1(NC(=O)[C@@H]2CCNC2=O)CCOCC1 1070185679 FAPIXKNUQGENCL-GFCCVEGCSA-N 323.393 -0.130 30 20 DBED Cc1c[nH]nc1C(=O)N1C[C@H](n2ccnn2)[C@H](NCC#N)C1 1070191641 KPMIQOWIAQDUOS-MNOVXSKESA-N 300.326 -0.512 30 20 DBED N#CCN1CCOC[C@H]1c1n[nH]c(CNC(=O)c2cnco2)n1 1070587903 ITWVWBCTIKDJFQ-VIFPVBQESA-N 317.309 -0.380 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CC[C@H](C)N(CC(N)=O)C2)nn1 1071883390 KJLMJPKLBHTHHP-WDEREUQCSA-N 306.370 -0.468 30 20 DBED C[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@@H]1NC(=O)C#CC1CC1 1072015089 YKHZIPKYKYGMCN-PWSUYJOCSA-N 301.350 -0.195 30 20 DBED CNC(=O)NCCC(=O)N1C[C@@H](NC(=O)C#CC2CC2)[C@H](C)C1 1072022232 XLPBMHIFILNXAF-DGCLKSJQSA-N 320.393 -0.318 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CN(C(=O)c2ncc[nH]2)C[C@@H]1C 1072025317 QSTRXSCJZGNOOF-QWRGUYRKSA-N 317.349 -0.874 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CCN(C(=O)[C@@H]2CCOC2)CC1 1074506854 XAERRPMPFDSXMG-VXGBXAGGSA-N 309.366 -0.348 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(O)(CNC(=O)c2cnnn2C)CC1 1074705505 TYWMKENBYNLXHY-JTQLQIEISA-N 320.353 -0.942 30 20 DBED CC(=O)NCC(=O)N[C@@H](C)CCNC(=O)CSCC#N 1075675795 NHAKKCWMNVHJPP-VIFPVBQESA-N 300.384 -0.610 30 20 DBED C#CCOCCC(=O)N[C@@H](C)CCNC(=O)CCc1nc[nH]n1 1076084364 QKFBPYLJYWXYSV-LBPRGKRZSA-N 321.381 -0.212 30 20 DBED C#CCN1C[C@@H]2CCN(C(=O)CN3C(=O)NC(C)(C)C3=O)[C@@H]2C1 1076531623 VIFRWLLVSKUMDQ-NWDGAFQWSA-N 318.377 -0.517 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN(C(C)=O)C2)C1 1077333940 UHRNIYDXNGLWID-RBSFLKMASA-N 307.394 -0.571 30 20 DBED CCN(C(=O)C#CC1CC1)C1CN(C(=O)[C@H]2CCC(=O)N2)C1 1079737122 XDNYEKCCUMUKIA-CYBMUJFWSA-N 303.362 -0.262 30 20 DBED C=CCCC(=O)N1CC(N(CC)C(=O)CN2CCOCC2=O)C1 1079968205 PYCBRIBGWSTCSM-UHFFFAOYSA-N 323.393 -0.129 30 20 DBED C=C1CC(C)(C(=O)N2CCC(CO)(NC(=O)C(N)=O)CC2)C1 1080976098 LPFFBLZICHLOCG-UHFFFAOYSA-N 309.366 -0.702 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@H](CNC(=O)COCCOC)C1 1081352721 XITFHKFKXOQIRE-OLZOCXBDSA-N 314.382 -0.449 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@H](CNC(=O)Cc2ccon2)C1 1081365048 KGXHPQCNJDJKIM-DGCLKSJQSA-N 323.349 -0.645 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)CC(=O)NCC)C[C@@H]1O 1081441715 LQRDCXBQKKXONV-OLZOCXBDSA-N 323.393 -0.748 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(C(=O)c2cnon2)C[C@H]1O 1081470958 HTSALXXIQGYXQF-ZYHUDNBSSA-N 304.306 -0.968 30 20 DBED C[C@H](C#N)C(=O)N1CCCC[C@H]1CNC(=O)Cn1cnnn1 1082267103 HVUXEJSIGWNFLU-MNOVXSKESA-N 305.342 -0.670 30 20 DBED C=CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CCS(=O)(=O)C1 1083135512 HVJOWDWLALKXPN-FRRDWIJNSA-N 314.407 -0.481 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)[C@H]2CCc3nnc(O)n3C2)C1 1083581504 YPHCCRVYHDACMR-TUAOUCFPSA-N 321.381 -0.717 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)c2c(C)c(C)nn(C)c2=O)C1 1083689355 PSAZWAJQYOBGSW-OLZOCXBDSA-N 320.393 -0.252 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)c2cccc(-n3cnnn3)c2)C1 1084046108 RNUNSPMSSLBKDO-KGLIPLIRSA-N 314.349 -0.377 30 20 DBED N#CCN[C@H]1C[C@H](CNC(=O)[C@H]2CCc3nnc(O)n3C2)C1 1086405827 URABJHZLXJANFL-DCAQKATOSA-N 304.354 -0.446 30 20 DBED COCCN1C[C@@H](C(=O)NC[C@H]2CC[C@@H](NCC#N)C2)CC1=O 1086710796 LZBMNVXHWPADMG-MELADBBJSA-N 322.409 -0.121 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2cnc(N(C)C)cn2)[C@@H](O)C1 1090267885 DUIWSXCWTMIOKU-JSGCOSHPSA-N 317.393 -0.269 30 20 DBED Cn1nnc2ccc(C(=O)N[C@@H]3CCN(CC#N)C[C@H]3O)cc21 1090759120 DDVLNUIGRJFMJP-TZMCWYRMSA-N 314.349 -0.343 30 20 DBED CCOCC(=O)N[C@H]1CCN(c2nc(C)cc(C#N)n2)C[C@H]1O 1092130431 VZVNWUAIYQLDQI-QWHCGFSZSA-N 319.365 -0.251 30 20 DBED N#CCN1CC(OC2CCN(C(=O)[C@H]3CCNC3=O)CC2)C1 1093558795 BXBGSJBQBPGMAC-ZDUSSCGKSA-N 306.366 -0.662 30 20 DBED C[C@@H](C(=O)NCCNc1cncc(C#N)n1)N1CCOCC1 1093730328 AYTAMGFLKZRYFE-NSHDSACASA-N 304.354 -0.403 30 20 DBED CN1CCO[C@@H](C(=O)NCCCN(C)c2cnc(C#N)cn2)C1 1095521525 INDDPSJSTAPRAM-CYBMUJFWSA-N 318.381 -0.379 30 20 DBED CCN(CCCNC(=O)[C@@H]1COC(=O)N1)c1cnc(C#N)cn1 1095870603 ACHHFXZBEXCINH-NSHDSACASA-N 318.337 -0.211 30 20 DBED C[C@H](NC(N)=O)C(=O)N[C@@H]1CCCN(c2cncc(C#N)n2)C1 1096162540 NJHXCKACOQTEDL-VHSXEESVSA-N 317.353 -0.510 30 20 DBED CCOCC(=O)NCCN1CCN(c2nccnc2C#N)CC1 1096263007 VJLIAYKFGBEMSE-UHFFFAOYSA-N 318.381 -0.377 30 20 DBED CNC(=O)CCCC(=O)N[C@H]1CCN(c2cncc(C#N)n2)C1 1096363413 WADITCOFUZSLQL-NSHDSACASA-N 316.365 -0.041 30 20 DBED C[C@H](CNC(=O)[C@@]1(C)CNC(=O)C1)N=c1cc[nH]c(C#N)n1 1098153588 UYQSGHFQYVQPIW-YMTOWFKASA-N 302.338 -0.787 30 20 DBED N#CCNCc1cn([C@H]2CCN(C(=O)[C@H]3COCCO3)C2)nn1 1098622530 LDCAZVTUOGDMAP-QWHCGFSZSA-N 320.353 -0.920 30 20 DBED C[C@@H](CCNC(=O)Cn1nccn1)Nc1cnc(C#N)cn1 1099536803 ODRPAHNFJWJSOI-JTQLQIEISA-N 300.326 -0.053 30 20 DBED C=C(Cl)CN1CC[C@@H](NC(=O)COCCOC)[C@H](O)C1 1099735341 DAKFMFYTGPNKPJ-VXGBXAGGSA-N 306.790 -0.047 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(Cc2ccn(C)n2)C[C@@H]1O 1099741231 PTYFJVCTJPINOA-KGLIPLIRSA-N 308.382 -0.326 30 20 DBED C#CCCCCC(=O)N[C@@H]1CCN(CC(=O)N2CCC2)C[C@H]1O 1099785152 BDSBCFHQLXRCJL-HUUCEWRRSA-N 321.421 -0.036 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CCN(CC(=O)N(C)C2CC2)C[C@H]1O 1099820168 BAUNEJDXDFRZBC-HUUCEWRRSA-N 321.421 -0.182 30 20 DBED CN(CCNC(=O)Cn1cnnc1O)c1ncc(C#N)cc1F 1100030531 XDCLHLDEQDRHNQ-UHFFFAOYSA-N 319.300 -0.358 30 20 DBED C=CCOCC(=O)NCC1CC(NC[C@H](O)Cn2cccn2)C1 1100187989 VROGVMWFSZLEIX-NRXISQOPSA-N 322.409 -0.069 30 20 DBED N#Cc1cccnc1N(CCNC(=O)CNC(N)=O)C1CC1 1101280191 OPLZRQXTTQRYGW-UHFFFAOYSA-N 302.338 -0.293 30 20 DBED COCC#CCN1C[C@@H](C)[C@H](CNC(=O)c2cnn(C)c2N)C1 1101897850 QPKYONJNDVZDKL-CHWSQXEVSA-N 319.409 -0.050 30 20 DBED C[C@@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)CNc1nccnc1C#N 1104208507 ASOBRAOQDOHZGR-BBBLOLIVSA-N 302.338 -0.366 30 20 DBED CNC(=O)CCCC(=O)N(C)[C@@H](C)CN=c1cc[nH]c(C#N)n1 1104528375 WCQLJNRDROLNKD-NSHDSACASA-N 318.381 -0.055 30 20 DBED Cc1cc(C#N)nc(N(C)CCN(C)C(=O)[C@H]2COCCO2)n1 1105339962 YTOFWIUESIWRFC-CYBMUJFWSA-N 319.365 -0.033 30 20 DBED N#Cc1nc(=NC[C@H](O)CNC(=O)c2ccnc(F)c2)cc[nH]1 1105738978 CRZMRIYFKKTFFK-JTQLQIEISA-N 316.296 -0.493 30 20 DBED N#Cc1nc(=NC[C@@H](O)CNC(=O)C[C@H]2CCOC2)cc[nH]1 1105760708 XLKIQCLUTAAMPI-GHMZBOCLSA-N 305.338 -0.914 30 20 DBED Cc1nc(NC[C@@H](O)CNC(=O)Cc2nc[nH]n2)ccc1C#N 1105958708 GGNWXQTVHVAJCJ-LLVKDONJSA-N 315.337 -0.489 30 20 DBED C=CCCCC(=O)NC[C@@H](O)CNc1ccc2nnnn2n1 1106072558 FFQZKQBXBBSCLL-JTQLQIEISA-N 305.342 -0.235 30 20 DBED C#CCO[C@H](C)C(=O)NCc1cn(C2CN(CCCO)C2)nn1 1107169374 FDPRRKVKRISGQR-GFCCVEGCSA-N 321.381 -0.828 30 20 DBED C=CCN1CC(n2cc(CNC(=O)Cc3cnc[nH]3)nn2)C1 1107213747 HPRMLKKPZWWUIB-UHFFFAOYSA-N 301.354 -0.097 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@H](C)CNc1nccn2nnnc12 1107731345 PAEQOIOZXQPPLV-RNCFNFMXSA-N 305.342 -0.237 30 20 DBED C#CCNC(=O)CC(=O)NC[C@]1(C)CN(CCCF)CCO1 1107884734 LINYMCQWGAUHNQ-OAHLLOKOSA-N 313.373 -0.307 30 20 DBED C[C@H](CN=c1cc[nH]cc1C#N)NC(=O)c1cn(C)c(=O)cn1 1108217193 NMIMDXHRITVHEW-SNVBAGLBSA-N 312.333 -0.301 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)CSCC#N)CC2=O)C1 1108511958 ZOZFFRDAYSVYMW-NSHDSACASA-N 306.391 -0.722 30 20 DBED C=C(C)CN1CC(N2C[C@@H](NC(=O)[C@@H](C)CC(N)=O)CC2=O)C1 1108561032 QIRPWHZEQUEFTD-RYUDHWBXSA-N 322.409 -0.525 30 20 DBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CC1(O)CCC1 1109248363 GLUCUWXTGHLUIP-AGIUHOORSA-N 320.393 -0.347 30 20 DBED C[C@H](NC(N)=O)C(=O)N(C)CCCN=c1cc[nH]c(C#N)n1 1109422235 DJDAEPFCACDYTB-VIFPVBQESA-N 305.342 -0.913 30 20 DBED CN(CCCNc1cnc(C#N)cn1)C(=O)CCn1cnnn1 1109498596 DVOPMCRHAMHQON-UHFFFAOYSA-N 315.341 -0.315 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@]1(O)CCN(c2cnc(C#N)cn2)C1 1111041502 IWTAUQWFBRLKKQ-HZMBPMFUSA-N 300.322 -0.435 30 20 DBED CNC(=O)CC(=O)N1C[C@H](C)[C@H](CNc2cnc(C#N)cn2)C1 1111243595 LRPMOTQHAUVAHZ-WDEREUQCSA-N 316.365 -0.009 30 20 DBED CCN(CCC#N)C(=O)CN1CCN(C(=O)[C@H](C)OC)CC1 1112652585 MQMLEHSZFXVGKX-ZDUSSCGKSA-N 310.398 -0.072 30 20 DBED C[C@H](C#N)C(=O)NC1(CO)CCN(c2nccnc2C#N)CC1 1112657299 ZXFUQLXUOQTZSW-LLVKDONJSA-N 314.349 -0.045 30 20 DBED C#CCCCC(=O)N1CCN([C@H](C)C(=O)NC(=O)NC)CC1 1112809689 OHINLYPQNXQLMI-GFCCVEGCSA-N 308.382 -0.222 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)[C@H](OC)C2CC2)CC1 1112815441 QOXUJWGIDDVWNF-TZMCWYRMSA-N 307.394 -0.307 30 20 DBED C=CCNC(=O)NC(=O)CN1CCN(C(=O)C2(C)CC2)CC1 1112868294 LLLCCOMPRCFKMT-UHFFFAOYSA-N 308.382 -0.058 30 20 DBED C[C@H](NC(=O)C1CS(=O)(=O)C1)[C@@H](C)Nc1nccnc1C#N 1113182926 MFAYEEZBARYBFM-BDAKNGLRSA-N 323.378 -0.302 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)CCCN(C)C)CC1 1113277288 GUOZJWHLBZJUGX-AWEZNQCLSA-N 308.426 -0.390 30 20 DBED C=C(Cl)CN1CCN(C(=O)CCCS(N)(=O)=O)CC1 1113282043 HDZUKBCTESOPFI-UHFFFAOYSA-N 309.819 -0.048 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)c3cnns3)[C@@H]2C1 1113945054 ONFXQFLQQQSXTO-IVZWLZJFSA-N 319.390 -0.664 30 20 DBED C=CCOCC(=O)NC1[C@@H]2CN(CC(=O)N3CCCC3)C[C@@H]12 1114051234 QYPJYPDCJRVQPH-CHWSQXEVSA-N 307.394 -0.142 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)[C@H]3CCCN3C)[C@@H]2C1 1114057330 KMBCNWDVWWAWSN-JHJVBQTASA-N 306.410 -0.571 30 20 DBED Cc1cncc(C(=O)N[C@H]2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]32)c1 1114093336 NJMVVLFLRBKCAG-NHAGDIPZSA-N 313.361 -0.310 30 20 DBED CC#CCN1C[C@H]2[C@H](NC(=O)CC[C@H]3NC(=O)NC3=O)[C@H]2C1 1115215874 AUEGNVCXAXXOEV-XZUYRWCXSA-N 304.350 -0.956 30 20 DBED C[C@H](CN(C)C(=O)CCc1nc[nH]n1)N=c1cc[nH]c(C#N)n1 1115670008 ZOWAZUSJTCKCOJ-SNVBAGLBSA-N 314.353 -0.220 30 20 DBED C#Cc1cccc(CNC(=O)C(=O)N2CCN(C)C(=O)[C@H]2C)c1 1118096947 FQTXXMNIEITHIF-GFCCVEGCSA-N 313.357 -0.027 30 20 DBED C=CCN(C(=O)C(=O)NCCO[C@H]1CCOC1)[C@H](C)COC 1119852228 RKOLTMPJYLDYGW-OLZOCXBDSA-N 314.382 -0.042 30 20 DBED C=CCNC(=O)Cn1nnnc1N1CCO[C@]2(CCO[C@H]2C)C1 1120157295 ZWZWRIUIHOGXSK-SMDDNHRTSA-N 322.369 -0.641 30 20 DBED N#Cc1cccnc1N[C@H](CO)CNC(=O)C[C@@H]1CCC(=O)N1 1121771872 YQVFKSVMUDOXIH-RYUDHWBXSA-N 317.349 -0.489 30 20 DBED N#Cc1nccnc1N[C@@H](CO)CNC(=O)c1csnn1 1122363632 IJDOARYMVZBCFP-SSDOTTSWSA-N 305.323 -0.597 30 20 DBED CN(C[C@H](O)CNc1ccc(C#N)nn1)C(=O)c1ccnn1C 1124150840 YESCPRWZWKKZPJ-LLVKDONJSA-N 315.337 -0.373 30 20 DBED CN(C[C@@H](O)CNc1nccnc1C#N)C(=O)C(C)(C)C(N)=O 1124555089 VWQWRSZQRGEGKC-VIFPVBQESA-N 320.353 -0.909 30 20 DBED CO[C@@H](C)C(=O)N(C)C[C@H](O)CN(C)c1nccnc1C#N 1124956981 GPQQCLJOCJVKRW-WDEREUQCSA-N 307.354 -0.361 30 20 DBED CNC(=O)CC(=O)N(C)C1CC(Nc2cnc(C#N)cn2)C1 1126896838 UTMQQCFWVOJWNN-UHFFFAOYSA-N 302.338 -0.114 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCNCC(=O)Nc1ccon1 1129790824 JOJGSBHGUPQWEZ-LBPRGKRZSA-N 319.365 -0.584 30 20 DBED C=C(C)CN[C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1c1cn(C)cn1 1130490473 JNVQDXIGNVFHEQ-WCQYABFASA-N 320.397 -0.452 30 20 DBED C#CCOCCC(=O)N[C@H]1CC[C@@H](C)N(CC(=O)NCC#N)C1 1132041772 KJQXMVWMMKOYRE-KGLIPLIRSA-N 320.393 -0.365 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1cccnc1OC 1133273746 ORYYGXLVGXXGGW-LLVKDONJSA-N 304.350 -0.453 30 20 DBED C#CCCNC[C@H]1CN(C(=O)CN2C(=O)CNC2=O)CC[C@H]1C 1133306793 QHHBSEOCNCVFEV-OLZOCXBDSA-N 320.393 -0.364 30 20 DBED C=CCn1cc(C(=O)NCCN[C@H](C)c2nncn2C)nn1 1134969315 GAYCBFQICVMDLY-SNVBAGLBSA-N 304.358 -0.327 30 20 DBED CC#CCN[C@H](C)C[C@H](C)NC(=O)c1cc(=O)n2[nH]cnc2n1 1135923854 ODVXUSVCQNCZIN-MNOVXSKESA-N 316.365 -0.073 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N1CCC2(CN(C(C)=O)C2)C1 1146861275 OXMONBKHKBJZSL-LLVKDONJSA-N 308.382 -0.059 30 20 DBED C=CCNC(=O)CN1CCC2(C1)CN(C(=O)[C@H]1CCC(=O)N1)C2 1147187653 LXLKBIPVTLHNMN-GFCCVEGCSA-N 320.393 -0.899 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(Cc2cnon2)CCCO1 1149727788 PLJBLUDFPQHSTP-CQSZACIVSA-N 322.365 -0.183 30 20 DBED CC(=O)N1CC[C@](C)(C(=O)NC[C@@H]2CN(CC#N)CCCO2)C1 1150553543 LYLKTQIDQKMRIR-ZBFHGGJFSA-N 322.409 -0.024 30 20 DBED C#CCNC(=O)CN1CCCO[C@@H](CNC(=O)C(C)(C)C)C1 1150632912 BWTQDGOLPPCBIS-ZDUSSCGKSA-N 309.410 -0.011 30 20 DBED C[C@@H](NS(C)(=O)=O)C(=O)N1CCCC[C@@H]1CN(C)CC#N 1158522693 YYLUSVCNLANMCR-VXGBXAGGSA-N 316.427 -0.239 30 20 DBED N#Cc1cc(CNCCCNC(=O)[C@@H]2CNC(=O)N2)ccc1F 1165468782 TYLQXAAZBIZDOA-ZDUSSCGKSA-N 319.340 -0.025 30 20 DBED C=CCCNCC1(CCNC(=O)CS(=O)(=O)NC)CC1 1168204762 NWPKYSSOWCOCJW-UHFFFAOYSA-N 303.428 -0.012 30 20 DBED C#Cc1ccc(C(=O)NCCCN[C@H](C)C(=O)NC(N)=O)cn1 1171601287 VXGSHJQVKFFSDF-SNVBAGLBSA-N 317.349 -0.644 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCC[C@@H](C)NC(=O)c1cnn[nH]1 1171652404 UZDBIPYDAJORGO-VXGBXAGGSA-N 320.397 -0.179 30 20 DBED C=CCNC(=O)CNCCCNC(=O)CCCCC(=O)NC 1177241403 ZNBUDTIUAZYNQB-UHFFFAOYSA-N 312.414 -0.309 30 20 DBED C=CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)CNC(C)=O)[C@H]1C 1178041528 CTAHFDKVYKEBRR-GVXVVHGQSA-N 310.398 -0.608 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC[C@H](NCc2nc(O)n[nH]2)[C@@H]1C 1178572610 MWEVORHNLASWHL-BHDSKKPTSA-N 309.370 -0.084 30 20 DBED Cc1nc[nH]c1CC(=O)N1CC[C@H](NCC(=O)NCC#N)[C@@H]1C 1180007206 STKDKTXWFAOCRD-RYUDHWBXSA-N 318.381 -0.521 30 20 DBED C#CCNC[C@]1(C)CN(C(=O)C[C@@H]2NC(=O)NC2=O)C[C@H]1C 1181764122 LWZVGWFQNSGUSB-JRPNMDOOSA-N 306.366 -0.708 30 20 DBED C[C@@H]1CN(C(=O)CCCS(N)(=O)=O)C[C@@]1(C)CNCC#N 1182421095 FQRPLYAKIYQFML-DGCLKSJQSA-N 316.427 -0.347 30 20 DBED C=CCOCC(=O)N1CC[C@@H](N(C)CCNS(C)(=O)=O)C1 1189363601 NMBHWWRQUQMJHY-GFCCVEGCSA-N 319.427 -0.729 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)[C@H](C)OCC#C)C1 1190095150 QLUKLXWGIBTAMZ-KBPBESRZSA-N 305.378 -0.693 30 20 DBED C=CCCC(=O)N[C@@H]1CN(CC(=O)NC(=O)NC2CC2)C[C@H]1O 1191715395 XXAMFCWWARRMAE-VXGBXAGGSA-N 324.381 -0.898 30 20 DBED CCCc1noc(CN2C[C@@H](O)[C@H](NC(=O)[C@@H](C)C#N)C2)n1 1191854517 OAKCSZSAFSWOSM-HBNTYKKESA-N 307.354 -0.157 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@@H]1CCN(C(=O)CCCC(N)=O)C1 1194485981 YNTXYKOCKPFASW-QWHCGFSZSA-N 322.409 -0.687 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)CCc2cncnc2)C1 1194711704 QAUZNWSOIFKBQX-HUUCEWRRSA-N 320.393 -0.227 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)[C@@H](NC(N)=O)C(C)(C)C)C1 1197812833 VKYLDBUDKUKQTM-IJLUTSLNSA-N 312.414 -0.193 30 20 DBED C#CCNC(=O)[C@H](C)NC1CCN(C(=O)C(C)(C)C(N)=O)CC1 1201141648 BPWOOUYJNIDMIE-NSHDSACASA-N 322.409 -0.784 30 20 DBED C#CCCNC1CCN(C(=O)CN2CCN(C)C(=O)C2)CC1 1201358942 ZFJUOHMCECAHHG-UHFFFAOYSA-N 306.410 -0.636 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)c2cncn2C)CC1 1201468984 NICCWLXIKPKKMU-UHFFFAOYSA-N 305.382 -0.084 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)[C@@H]2C[C@]23CCOC3)CC1 1203228058 CXPJCNYGTHGJCP-YOEHRIQHSA-N 319.405 -0.257 30 20 DBED Cn1nccc1C(=O)N1CCC(CNCC(=O)NCC#N)CC1 1204686911 RFHFIIRGANVSGQ-UHFFFAOYSA-N 318.381 -0.498 30 20 DBED C#CCCNCC1CCN(C(=O)[C@@H](C)NS(C)(=O)=O)CC1 1206410237 KZXXAOPVHITGOV-GFCCVEGCSA-N 315.439 -0.224 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN([C@@H](C)C(=O)N(C)C)C[C@H]1C 1206957508 BNIUVMOEUSIWRQ-HZSPNIEDSA-N 309.410 -0.061 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)[C@H]2CCC(=O)N2C)C1 1209221770 CENCBAKSQIOXTK-QWHCGFSZSA-N 322.409 -0.510 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)CCCCC(N)=O)[C@H](C)C1 1210165693 JHDKFZKUDXCRRF-CHWSQXEVSA-N 324.425 -0.229 30 20 DBED C=CCOCCN1C[C@@H](NC(=O)c2ccc(O)nn2)[C@H](OC)C1 1211797720 JOMXXCHKRLCZBI-CHWSQXEVSA-N 322.365 -0.186 30 20 DBED COCC#CCN1C[C@@H](NC(=O)C2(N(C)C)CCC2)[C@H](OC)C1 1212407650 CLKKIZVMJSASJC-HUUCEWRRSA-N 323.437 -0.064 30 20 DBED C[C@@H](C(=O)N1C[C@@H](NCC(=O)NCC#N)[C@H](C)C1)n1cccn1 1214177337 VJVKLOOZXAQFEA-FRRDWIJNSA-N 318.381 -0.480 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CC(=O)NCC)C[C@H]1C 1214484095 ZEBZZPZJMDGRFA-JHJVBQTASA-N 322.409 -0.913 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@H]1C 1215410528 XRNPRUJHTUEDCW-ZYHUDNBSSA-N 319.365 -0.878 30 20 DBED C=C(C)CN(CC)C(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H](C)C#N)C1 1219378812 GDAWDSMNCZWVAH-MJBXVCDLSA-N 322.409 -0.268 30 20 DBED CCc1noc(CN2C[C@H](O)[C@H](NC(=O)C#CC3CC3)C2)n1 1219593214 HVBHOZKHMIQUQA-NEPJUHHUSA-N 304.350 -0.293 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)C2(F)CCOCC2)C1 1219767306 QBLDFVZPSNQDCR-OLZOCXBDSA-N 314.357 -0.684 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)[C@@H](C)OCC)[C@@H]2C1 1221306101 YSLUIJDZMFAWMA-MGPQQGTHSA-N 307.394 -0.307 30 20 DBED N#CCNC(=O)CN1CCC(CNC(=O)Cc2cc[nH]n2)CC1 1222688451 TXORUONLPKKKSH-UHFFFAOYSA-N 318.381 -0.580 30 20 DBED C=CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)c1n[nH]c(C)c1O 1233633734 DCXXJILRGJDZRY-LLVKDONJSA-N 321.381 -0.128 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C[C@@H]1CCN1CCS(C)(=O)=O 1234225960 QADLHWJYZOTTGF-OLZOCXBDSA-N 316.423 -0.398 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C[C@H]1CCN1Cc1ncnn1C 1234226946 VCJVRPYVLMKNPJ-QWHCGFSZSA-N 305.382 -0.114 30 20 DBED C#CCNC(=O)[C@H](C)N(C)CCCNC(=O)COCC1CC1 1234360331 IEBJEODIPDMFBR-ZDUSSCGKSA-N 309.410 -0.011 30 20 DBED C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)NC1(C)CC1 1261565796 MVBLQKCEKVCXRD-VIFPVBQESA-N 309.413 -0.320 30 20 DBED C#Cc1cccc(NC(=O)C(=O)Nc2cnn(CC(N)=O)c2)c1 1317916623 FMBHXMCONMGXGG-UHFFFAOYSA-N 311.301 -0.073 30 20 DBED N#CCCCS(=O)(=O)NC[C@@H]1CCC[C@]12NC(=O)NC2=O 1319388052 HMIOCYJQQGBONS-CABZTGNLSA-N 314.367 -0.412 30 20 DBED CC[C@H](C)NC(=O)[C@H](C)NC(=O)C(=O)Nc1cnn(CC#N)c1 1319553750 NKWVLWSTEXXMLE-UWVGGRQHSA-N 320.353 -0.235 30 20 DBED C#CCCS(=O)(=O)NC1(C(=O)OC)CCS(=O)(=O)CC1 1324093507 PJOIUYSPUCFBMB-UHFFFAOYSA-N 323.392 -0.951 30 20 DBED C=C[C@H]1CCCCN1C(=O)C(=O)NCc1cc(C(N)=O)no1 1324693579 PVFQZYLSUCLEBL-VIFPVBQESA-N 306.322 -0.043 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H](C)C(=O)N1CCS(=O)(=O)CC1 1325291705 SENRAHIDTMLUQY-GXFFZTMASA-N 318.395 -0.925 30 20 DBED CN(C)[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CC[C@](O)(CC#N)C1 1326128875 STYVECSZUUOOQL-XJKCOSOUSA-N 322.409 -0.148 30 20 DBED CON(C)C(=O)C(=O)N1CCN(c2ccc(C#N)nc2)CC1 1330740532 NDJRYRJIFVEUDG-UHFFFAOYSA-N 303.322 -0.378 30 20 DBED N#Cc1cc(Cl)nc(N2CCN3C(=O)C(=O)NC[C@H]3C2)c1 1336543739 BPYWSFYHHLEZMO-VIFPVBQESA-N 305.725 -0.246 30 20 DBED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Cn1ncn2nccc2c1=O 1344491366 NUZAYVPHWGBRBQ-BXUZGUMPSA-N 317.349 -0.012 30 20 DBED C[C@H](CCS(C)(=O)=O)NC(=O)C(=O)Nc1cccc(C#N)n1 1345810386 CSEYJOWTLPLUGR-SECBINFHSA-N 324.362 -0.169 30 20 DBED C#CCCN1CCC(NC(=O)c2cnn(C[C@@H](O)CO)c2)CC1 1347539859 DGXHMXMOCLCZNA-OAHLLOKOSA-N 320.393 -0.546 30 20 DBED CC(C)(CC#N)CNC(=O)C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 1348705416 PFVJDVAXEOLMEZ-SNVBAGLBSA-N 306.366 -0.078 30 20 DBED N#CC[C@@H]1CCCN(C(=O)C(=O)N2CCn3cnnc3C2)C1 1350203837 CCXFEONJTUWCMV-NSHDSACASA-N 302.338 -0.227 30 20 DBED C[C@H](NC(=O)CCn1cc(C#N)c(O)nc1=O)c1csnn1 1363363116 MVPQBXWCTQPFJT-ZETCQYMHSA-N 320.334 -0.060 30 20 DBED CC1(C)CN(C(=O)Cn2cc(C#N)c(O)nc2=O)[C@@H]2COC[C@@H]21 1363440418 JUDJCXKLQWFYSZ-WDEREUQCSA-N 318.333 -0.296 30 20 DBED C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)NCC1(C#N)CCOCC1 1363698722 VANVOASTJJBTTA-PWSUYJOCSA-N 309.366 -0.301 30 20 DBED N#Cc1cnn2c(O)cc(CN3CC[C@@H](NC(N)=O)C3)nc12 1364382963 SNXDIBOIOIWVEG-SECBINFHSA-N 301.310 -0.451 30 20 DBED N#CC1(CNC(=O)NCc2nnc3n2CCOC3)CCOCC1 1365155959 VAEAAMLKSUJOEQ-UHFFFAOYSA-N 320.353 -0.072 30 20 DBED CNS(=O)(=O)[C@@H]1CCN(S(=O)(=O)CC(C)(C)CC#N)C1 1365382020 KKHVWKMMJGGZTR-SNVBAGLBSA-N 323.440 -0.120 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@H](NCc2cc(=O)n3nccc3[nH]2)C1 1370448550 QIQYZUWVDIGRSX-GMTAPVOTSA-N 314.349 -0.081 30 20 DBED CC(=O)N[C@@H](C)C(=O)NC[C@H](O)CNCc1ccccc1C#N 1379156869 AAJCAXNUTYQBNT-XHDPSFHLSA-N 318.377 -0.350 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)C1CCN(C(=O)c2cn[nH]c2)CC1 1384767781 NDNQBYNETLGJND-NSHDSACASA-N 319.365 -0.005 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)[C@H]2CCN(C)C(=O)C2)CC1 1389966044 XXENMYFUYVEXGS-MNOVXSKESA-N 306.366 -0.221 30 20 DBED CNC(=O)NC(=O)[C@H](C)N1C[C@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2C1 1393414915 LQXUBJGFGMBSSP-KXNHARMFSA-N 321.381 -0.620 30 20 DBED N#Cc1ncn(CCNC(=O)NCC2(C#N)CCOCC2)n1 1414633421 NIVPHUVNLGJHCX-UHFFFAOYSA-N 303.326 -0.231 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)C2CCOCC2)C1 1417437161 XIUBRERSURCRKW-IAQYHMDHSA-N 309.366 -0.348 30 20 DBED C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)N[C@H](C)c1nnnn1C 1437119629 GWPAAACBKWFOEO-DTWKUNHWSA-N 302.342 -0.121 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@@H](C)CNC(=O)CN1CCCNC1=O 1442833428 KPGNPAIXXDTVBC-QWRGUYRKSA-N 309.370 -0.476 30 20 DBED Cn1c(=O)[nH]c(N2CCC3(CC2)C[C@@H](O)CCO3)c(C#N)c1=O 1458634194 SOWYRMSOTVQCDJ-JTQLQIEISA-N 320.349 -0.544 30 20 DBED C[C@]1(CO)C[C@@H](O)CN1Cc1cc(O)n2ncc(C#N)c2n1 1460469210 SPOQYQNGUJATHH-BXUZGUMPSA-N 303.322 -0.376 30 20 DBED N#CC1(CNC(=O)NC[C@@H](O)Cn2ccnn2)CCOCC1 1479558645 CTUINMFGSMYNOS-LLVKDONJSA-N 308.342 -0.741 30 20 DBED CC(=O)NCC(=O)N1CC[C@H](N(C)C(=O)c2ccc(C#N)[nH]2)C1 1491914179 OVIZXPQFQAJYRY-LBPRGKRZSA-N 317.349 -0.305 30 20 DBED C[C@H](C(=O)N1CC[C@H](NCC(=O)NCC#N)C1)c1cnn(C)c1 1567110260 HILPTHSNQLRLCO-AAEUAGOBSA-N 318.381 -0.646 30 20 DBED N#CCCN1CCN(C(=O)C2=NO[C@]3(CCCNC3)C2)CC1 1580051985 VFLGNJBKHXXGDD-OAHLLOKOSA-N 305.382 -0.057 30 20 DBED C#C[C@H](C)NC(=O)C(=O)N1CCc2ccc(-c3nn[nH]n3)cc21 1588326733 TVCRPAKZVPVJES-VIFPVBQESA-N 310.317 -0.106 30 20 DBED N#Cc1cccc(-c2nn[nH]n2)c1N1CCN2C(=O)NC(=O)[C@H]2C1 1592699303 VPLIMZHANCGIOT-SNVBAGLBSA-N 324.304 -0.521 30 20 DBED C=C(C)CN(CC)C(=O)Cn1cncc(-c2nn[nH]n2)c1=O 1602758203 DPHVRCKHMTUWDF-UHFFFAOYSA-N 303.326 -0.152 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CCC([C@@H](O)C(=O)O)CC1 1605438844 RGJJSIHMUFUAHG-LLVKDONJSA-N 319.383 -0.376 30 20 DBED N#CC1CCC(CNC(=O)C(=O)N2CCO[C@@H](C(=O)O)C2)CC1 1605583400 SYQLFKXJYJGBTQ-HTAVTVPLSA-N 323.349 -0.255 30 20 DBED N#CCC(=O)N1CCN(C(=O)c2ccc(-c3nn[nH]n3)o2)CC1 1606345905 RRMDOZPTGLXNJV-UHFFFAOYSA-N 315.293 -0.342 30 20 DBED N#Cc1ncc(NC[C@@H]2C[C@@H]3COC[C@@H]3O2)nc1-c1nn[nH]n1 1606398260 SXJZDJPMGSMZFM-WEDXCCLWSA-N 314.309 -0.256 30 20 DBED N#CC1(C(=O)O)CCN(C(=O)CN2CCCCC(=O)C2=O)CC1 1608171414 MJGAVSIPEAFLTP-UHFFFAOYSA-N 321.333 -0.215 30 20 DBED C[C@@H](CO)N(C)N=C1C(=O)Nc2cc(-c3nn[nH]n3)ccc21 1609114637 QQOJNPSYMKBSBK-ZETCQYMHSA-N 301.310 -0.165 30 20 DBED N#Cc1ccnc(N2CCN(C(=O)[C@H](N)CCC(=O)O)CC2)c1 1610633769 XSSAURSTBSVMSC-GFCCVEGCSA-N 317.349 -0.206 30 20 DBED Cn1ncc(Cn2cc(CN3CCOCC3)cc(C#N)c2=O)n1 1649882344 KVUWIJLRQIFOGW-UHFFFAOYSA-N 314.349 -0.271 30 20 DBED C#CCNC(=O)CN[C@@H](C)CCNC(=O)c1ccc(C)nc1O 1713418280 BFHDZGUJZOIMCU-NSHDSACASA-N 318.377 -0.057 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CN(C)S(=O)(=O)CC)C1 1713983818 DOYHVLBPMWLCBC-GFCCVEGCSA-N 301.412 -0.518 30 20 DBED C#CCNC(=O)CN(C)CCCNC(=O)c1cn(C)nc1OC 1752040611 YXMALHONNGLNLF-UHFFFAOYSA-N 321.381 -0.770 30 20 DBED C=CCN1CCN(CCNC(=O)CCN2CCOCC2)CC1 1752374535 IJMSOFWCIGWHCI-UHFFFAOYSA-N 310.442 -0.372 30 20 DBED N#CCN1CCN(CCNC(=O)Cn2ccccc2=O)CC1 1752375731 WWOGRMKTKREGOQ-UHFFFAOYSA-N 303.366 -0.894 30 20 DBED CN(CCNC(=O)c1cnn(CCF)c1)CC(=O)NCC#N 1753054810 FZTZGZHZBTXJBY-UHFFFAOYSA-N 310.333 -0.846 30 20 DBED C#CCNC(=O)CN[C@H](CC)CNC(=O)C1(F)CCOCC1 1753475460 RFAKXTVUWRNESL-GFCCVEGCSA-N 313.373 -0.261 30 20 DBED C=CCOCCNCC1(NC(=O)[C@@H]2CNC(=O)N2)CCCC1 1753506801 COFKHYVMZKXFAL-LBPRGKRZSA-N 310.398 -0.111 30 20 DBED C#CCCNC[C@@](C)(NC(=O)CC[C@@H]1NC(=O)NC1=O)C1CC1 1753527664 ONFZCWROACNBMI-BLLLJJGKSA-N 320.393 -0.128 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H](C)CNCC(=O)NC(N)=O)nc1 1753638967 ZAUZWOWDFJNCJB-JTQLQIEISA-N 317.349 -0.787 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)CN2CCOCC2)C[C@H]1C 1753753082 MAZIBKGDOACUAO-HZPDHXFCSA-N 323.437 -0.205 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)C1CC(F)(F)C1 1753916582 PSQNKDLDJRXQTL-KOLCDFICSA-N 317.336 -0.764 30 20 DBED C=CCNC(=O)[C@H](C)N1CC[C@H]1CNC(=O)Cc1ccn(C)n1 1754483126 WGGXGXWTLXXVHH-JSGCOSHPSA-N 319.409 -0.156 30 20 DBED C#CCNC[C@@H]1CCCN1C(=O)[C@H](C)NS(=O)(=O)CC 1754609558 GOZKSZZJYWNOQO-RYUDHWBXSA-N 301.412 -0.472 30 20 DBED C#CCNC(=O)CN1CC[C@](C)(NC(=O)[C@H](OC)C2CC2)C1 1754672950 RIENTXOCKMLDSI-ZBFHGGJFSA-N 307.394 -0.259 30 20 DBED C#CCNC1(CNC(=O)C(C)(C)S(C)(=O)=O)CCOCC1 1754740322 WFWUVECUQTXMLP-UHFFFAOYSA-N 316.423 -0.302 30 20 DBED C=CCN1CCC[C@](CO)(NC(=O)CCCS(C)(=O)=O)C1 1754858946 MGCIRLALTPWCCC-AWEZNQCLSA-N 318.439 -0.060 30 20 DBED C#CCNC(=O)CNCCN(CCO)C(=O)[C@@H]1CCC[C@@H](C)C1 1754890395 QHJCARDXZXNDDP-HUUCEWRRSA-N 323.437 -0.027 30 20 DBED CC#CCN1CCC(CO)(NC(=O)c2cnnc(O)c2)CC1 1755178162 RRSICDHMDDKKQC-UHFFFAOYSA-N 304.350 -0.238 30 20 DBED C=C(C)CCN[C@H](C)[C@H](C)NC(=O)CN1C(=O)C(=O)N(C)C1=O 1755256837 OXSAGZYIOCUANN-MNOVXSKESA-N 324.381 -0.144 30 20 DBED CSC[C@H](C)C(=O)NCC1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]12 1755421302 SGIGAGIXZJLVDG-DRZSPHRISA-N 324.450 -0.081 30 20 DBED C=CCN[C@H](CO)CNC(=O)c1ccnc(N2CCCC2)n1 1755644250 RPMRWZWSFDBOGJ-LBPRGKRZSA-N 305.382 -0.057 30 20 DBED C#CCN[C@H]1C[C@@H](C)N(C(=O)CCCn2c(O)nnc2O)C1 1755680208 DVHBPCRIAXMNDS-MNOVXSKESA-N 307.354 -0.318 30 20 DBED CC#CCNC[C@@H](O)CN(C)C(=O)COc1c(C)nn(C)c1C 1755779480 KXQPCEKJDVDLLI-CQSZACIVSA-N 322.409 -0.152 30 20 DBED C=CCC[C@H](C)NC[C@@H](O)CN(C)C(=O)C1CS(=O)(=O)C1 1755780295 CIBGXVTYODGZGC-WCQYABFASA-N 318.439 -0.205 30 20 DBED CC#CCN(C)C[C@H](O)CN(C)C(=O)CN1CCCCC1=O 1755803615 YQPIXTVUTDRJQH-AWEZNQCLSA-N 309.410 -0.227 30 20 DBED CN1CCC[C@@H]1C(=O)NCC1=CCN(CC(=O)NCC#N)CC1 1755882373 FBKKHIYOPIHQII-CQSZACIVSA-N 319.409 -0.531 30 20 DBED CC(C)C#CC(=O)N(C)C1CC(NC(=O)[C@H]2CNC(=O)N2)C1 1756740094 TVGLVBFLJBSZMZ-HTAVTVPLSA-N 306.366 -0.567 30 20 DBED C=CCO[C@H](C)C(=O)N1CC[C@H]1CN(C)C(=O)Cc1nc[nH]n1 1757307020 MFWSRAWKDPCSLB-NEPJUHHUSA-N 321.381 -0.002 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CCN(C(=O)C(N)=O)CC(C)(C)C1 1757551640 AFMHFTNDGWNERG-VXGBXAGGSA-N 323.393 -0.357 30 20 DBED CN(C)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)C#N 1792630126 SAXKFOCTGFNBCE-DABQJJPHSA-N 322.409 -0.313 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccn(C)c1)C2 1800451281 VIXOZYOWAOKGCM-AGGWBTHJSA-N 301.346 -0.139 30 20 DBED N#CCNC(=O)CN1CCN(CC(=O)N2CCCCCC2)CC1 76668241 MORPBUMQCMBAJM-UHFFFAOYSA-N 321.425 -0.354 30 20 DBED N#C[C@@H]1CN(C(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)CCO1 264521437 XDJJWUPKUGOCEI-WOPDTQHZSA-N 305.334 -0.087 30 20 DBED C[C@H](C(=O)N(C)CCC#N)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 266193652 XNFAZYWRWAYMSF-JCIQBVFBSA-N 305.334 -0.091 30 20 DBED C=CCN(CC=C)C(=O)CN(C)C[C@H](O)CN1CCOCC1 267625186 RFUBWCAFWONEKZ-HNNXBMFYSA-N 311.426 -0.188 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N(CC)CCS(C)(=O)=O 269967627 PCXXGBPOBNKSIT-JTQLQIEISA-N 305.400 -0.247 30 20 DBED N#Cc1ccc(NC(=O)C(=O)N2C[C@H](O)[C@@H](O)C2)c(Cl)c1 277447234 FWRGOHNHURNGCB-QWRGUYRKSA-N 309.709 -0.286 30 20 DBED C=C[C@H](CO)NC(=O)C(=O)Nc1cc(C(=O)OCC)n(C)c1 290157229 WLYDGQUJOVOOQM-SECBINFHSA-N 309.322 -0.197 30 20 DBED CC#CCN(C)S(=O)(=O)N1CCN(C(=O)OCC)CC1 294221533 SKGNNBSNOZLFMQ-UHFFFAOYSA-N 303.384 -0.040 30 20 DBED N#Cc1ccc(S(=O)(=O)NCC(=O)NN2CCOCC2)cc1 299226965 XTLPZAVXJLFQRG-UHFFFAOYSA-N 324.362 -0.800 30 20 DBED C[C@H]1CN(/C(O)=N/[C@H](C)CN2CCN(C)CC2)CC(=O)N1C 328694144 CTFYPMKHPDUZSU-OLZOCXBDSA-N 311.430 -0.301 30 20 DBED C[C@H](O)C[C@@H]1COCCN1/C(O)=N/C[C@@H]1CN(C)CCO1 329850681 SMEFPPQUHAAZIQ-YNEHKIRRSA-N 301.387 -0.297 30 20 DBED CC/N=C(/O)C1CN(C(=O)CN2CCS(=O)(=O)CC2)C1 330156051 YQUAQMPYDQQDJH-UHFFFAOYSA-N 303.384 -0.848 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@@]1(O)CCO[C@H]1C 330373358 BFBDVGMNWYQXSQ-WOPDTQHZSA-N 305.400 -0.158 30 20 DBED Cn1ncc2c(=O)n(CC(=O)N[C@H]3CCC[C@@H]3C#N)cnc21 332201493 VXPGFNKATPPFHG-KOLCDFICSA-N 300.322 -0.062 30 20 DBED COC(=O)C(C)(C)N(C)S(=O)(=O)N1CCO[C@@H](C#N)C1 337060110 GEIOBUGGIFUSNE-VIFPVBQESA-N 305.356 -0.661 30 20 DBED N#C[C@H]1CN(S(=O)(=O)NCc2cccc(CO)c2)CCO1 337081549 YNQKWHZNISPVGZ-ZDUSSCGKSA-N 311.363 -0.262 30 20 DBED CCOCCOC[C@@H](O)CNS(=O)(=O)N(C)C[C@@H](C)C#N 337179436 LLYKALHDXOUWKX-RYUDHWBXSA-N 323.415 -0.674 30 20 DBED N#CCNC(=O)CN1CCN(c2ccc(C(N)=O)cc2)CC1 344496625 IKUPKVCWMNJKSZ-UHFFFAOYSA-N 301.350 -0.453 30 20 DBED COC(=O)[C@@H]1CCN(C(=O)NCCn2cnc(C#N)n2)[C@@H]1C 357853133 AIHFIUKXWHBKHY-NXEZZACHSA-N 306.326 -0.257 30 20 DBED C[C@@](O)(CNC(=O)NCCn1cnc(C#N)n1)C(F)(F)F 357887323 YWIHBZGNFABIQH-SECBINFHSA-N 306.248 -0.238 30 20 DBED CC(C)n1cc(C#N)c(NC(=O)C(=O)N[C@@H]2CC(=O)N(C)C2)n1 359360749 MUBNYRJTHHZLAL-SNVBAGLBSA-N 318.337 -0.379 30 20 DBED C=CCNC(=O)CNC(=O)c1cn(C)nc1-c1cnn(C)c1 444293256 WFHNTNPEURRTQT-UHFFFAOYSA-N 302.338 -0.147 30 20 DBED C[C@H]1C[C@]1(C#N)C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 448727449 XYLKNUAFIWMQGF-BLLLJJGKSA-N 318.377 -0.171 30 20 DBED C#C[C@@H](CC)NC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 491537317 PNPMCFSWMRGLLV-JTQLQIEISA-N 317.349 -0.648 30 20 DBED C#CCN1CCN(C(=O)CN2CC[S@](=O)C[C@H](C)C2)CC1 491807289 SAJYCRHTXAYGDA-SZNDQCEHSA-N 311.451 -0.536 30 20 DBED CCN1CCN(C(=O)CNC(=O)C2(C#N)CCOCC2)CC1 552310109 JWPYTNOOASACKG-UHFFFAOYSA-N 308.382 -0.413 30 20 DBED COC(=O)c1ccc(OC[C@H](O)CNCC(=O)NCC#N)cc1 566128808 LRKVOYBMNOEOFQ-GFCCVEGCSA-N 321.333 -0.558 30 20 DBED N#Cc1c[nH]c(=O)n(CC(=O)NC(=O)NC2CCCCC2)c1=O 566222893 OUWYJWOQQLUOGN-UHFFFAOYSA-N 319.321 -0.433 30 20 DBED N#CCC(=O)N1CCN(C(=O)[C@@H]2OC[C@H]3COCC[C@@H]32)CC1 566440996 YJJBLRKKRMXTSY-MBNYWOFBSA-N 307.350 -0.378 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@@H](C(=O)O)C1CCC1 567170677 HBENCXREOPRTIZ-LLVKDONJSA-N 319.383 -0.064 30 20 DBED C[C@H](C#N)CNC(=O)[C@H](C)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 579421330 DNROGLCHCZUXQZ-OHUUWBQVSA-N 305.334 -0.187 30 20 DBED C[C@H](O)CN1CCN(C(=O)Nc2nn(C)cc2C#N)[C@@H](C)C1 585797431 XDVIBDJAYVLMIA-QWRGUYRKSA-N 306.370 0.211 30 20 DBED C=C[C@@H](O)C(=O)NC[C@@H](O)CS(=O)(=O)c1cccs1 612844408 HEPWQEBOKCUYGJ-RKDXNWHRSA-N 305.377 -0.454 30 20 DBED C=C[C@@H](O)C(=O)N(CCN(CC)CC)[C@@H]1CCS(=O)(=O)C1 613013163 YIHTZEYRSWZMNJ-CHWSQXEVSA-N 318.439 -0.109 30 20 DBED C=C[C@@](C)(O)C(=O)NCc1ccc(OC)c(S(N)(=O)=O)c1 614941487 WNAHVUJRFGTUND-CYBMUJFWSA-N 314.363 -0.104 30 20 DBED C=C[C@H](NCc1ccc(C(=O)NCC(N)=O)cc1)C(=O)OC 619700264 QNPNJGJIMDFYJP-LBPRGKRZSA-N 305.334 -0.281 30 20 DBED N#CCN(CC(=O)O)C(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O 739076870 DPXHXHRERSTWSC-GHMZBOCLSA-N 321.333 -0.012 30 20 DBED CCS(=O)(=O)NCC(=O)OCC(=O)N(C)C(C)(C)C#N 767395440 RBBGHIBLQYPLSN-UHFFFAOYSA-N 305.356 -0.771 30 20 DBED C#CCOc1ccccc1NC(=O)C(=O)NCc1nc(O)n[nH]1 773458516 KBCWVBKUXIDMGR-UHFFFAOYSA-N 315.289 -0.223 30 20 DBED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NCCS(C)(=O)=O 788390703 JWQGVPXWWSRDLJ-WDEREUQCSA-N 318.395 -0.755 30 20 DBED C=C(CO)C(=O)NC[C@H](Cc1ccccc1)NC(=O)C(=C)CO 791334003 UJQOFTCKDWLOQO-HNNXBMFYSA-N 318.373 -0.073 30 20 DBED C=C(C)CONC(=O)N1CCC(NS(=O)(=O)NC)CC1 845613040 UFSDYYPAVIXPTL-UHFFFAOYSA-N 306.388 -0.278 30 20 DBED O=C(N[C@@H]1CCCN(O)C1=O)c1cccc(-n2cncn2)n1 854648708 INEBYROKSCAPTH-SNVBAGLBSA-N 302.294 -0.228 30 20 DBED CN1C(=O)COc2ccc(C(=O)N[C@@H]3CNC[C@@H]3C#N)cc21 876803862 YERXIJKTDARFMF-WDEREUQCSA-N 300.318 -0.117 30 20 DBED C#CCN(C)C(=O)[C@H](CC(N)=O)NC(=O)Cc1cccc(F)c1 907682791 SNALBFMXUFSOBP-ZDUSSCGKSA-N 319.336 -0.180 30 20 DBED CCN(C[C@H](C)C#N)C(=O)COC(=O)CCNS(C)(=O)=O 919072606 ONSGREOOLKARFW-SNVBAGLBSA-N 319.383 -0.523 30 20 DBED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCOCN2)c1 928955739 LOZUHSWYWVNWAA-UHFFFAOYSA-N 309.347 -0.467 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1cnnc(O)c1 937489286 FRJBFPXPGIOUJH-MIMYLULJSA-N 301.306 -0.233 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)c2cccn(C)c2=O)C1 938367235 WCUKTTOPQGEISA-QWRGUYRKSA-N 302.334 -0.124 30 20 DBED C[C@@H](C#N)C(=O)N1CCCN(C(=O)C[C@@H]2CCC(=O)N2)CC1 941589747 BIMQXDDVSONWMV-RYUDHWBXSA-N 306.366 -0.124 30 20 DBED C#Cc1ccc(C(=O)N2C[C@@H](NC(=O)C(N)=O)[C@H](OC)C2)cc1 946508399 DQQHGSUWWLMCDF-CHWSQXEVSA-N 315.329 -0.891 30 20 DBED Cn1ncc(C(=O)N[C@H]2[C@H]3C[C@H]2N(C(=O)C#CC2CC2)C3)c1N 946969569 VALPAOLUWYUZOL-SUHUHFCYSA-N 313.361 -0.255 30 20 DBED CN(C(=O)c1nnc(O)nc1O)[C@H]1CCCN(CC#N)CC1 948590230 KPLBMQMNKFKKMF-VIFPVBQESA-N 306.326 -0.267 30 20 DBED O=C(NC[C@@H]1CCN1C(=O)C#CC1CC1)c1cncnc1O 950700686 ZTOMYXRVZCMSIV-NSHDSACASA-N 300.318 -0.074 30 20 DBED C#CCN1CC(N(CC)C(=O)[C@@H]2CCc3nnnn3CC2)C1 952297596 WDYVDEBOWUWGBH-GFCCVEGCSA-N 302.382 -0.209 30 20 DBED C[C@H](C#N)C(=O)N1CCC(N(C)C(=O)[C@H]2COC(=O)N2)CC1 953906271 XNSXIDWNTJCWDH-MWLCHTKSSA-N 308.338 -0.296 30 20 DBED C[C@H]1C[C@@H](C(=O)N(C)C2CN(C(=O)C#CC3CC3)C2)CC(=O)N1 954692500 YXIMOLKAPNPNMA-WCQYABFASA-N 317.389 -0.016 30 20 DBED C#Cc1cncc(C(=O)N(C)C2CN(C(=O)Cn3nccn3)C2)c1 955263905 NTFNSSWPCBGCLV-UHFFFAOYSA-N 324.344 -0.363 30 20 DBED C#CCOc1ncccc1C(=O)N(CC)C1CN(CC(N)=O)C1 957292902 QQPKLLNJONQNDM-UHFFFAOYSA-N 316.361 -0.275 30 20 DBED C=C(C)CN1C[C@H](CNC(=O)c2ccn(C)c(=O)c2)[C@@H](O)C1 958184143 WGDXUXCOZCNHIT-KBPBESRZSA-N 305.378 -0.016 30 20 DBED CCCc1c(C(=O)NC[C@@H]2CN(CC#N)C[C@H]2O)cnn1C 958210469 MWXCOKDJPVPBQP-BXUZGUMPSA-N 305.382 -0.081 30 20 DBED C#CCCN1C[C@H](CNC(=O)c2coc(C(N)=O)c2)[C@@H](O)C1 958276621 HJMKCWKTNSJAAS-RYUDHWBXSA-N 305.334 -0.576 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2ccnc3c2nnn3C)C1 958351036 WYVNVGBPUZHNQP-PWSUYJOCSA-N 314.349 -0.981 30 20 DBED N#CCN1C[C@H]2C(NC(=O)[C@@H]3OCCO[C@@H]3C(F)(F)F)[C@@H]2C1 960554014 DKQDPQSYVLDJOA-OYBPUVFXSA-N 319.283 -0.097 30 20 DBED N#Cc1ccc(F)c(CN2C[C@@H]3C(NC(=O)C(N)=O)[C@H]3C2)c1 961640949 QRQRQFBRJQTKOY-QWRGUYRKSA-N 302.309 -0.271 30 20 DBED C#CCN1C[C@H]2C(NC(=O)c3cn([C@@H]4CCOC4)nn3)[C@@H]2C1 962221343 IOIFNASQKNUQER-IJLUTSLNSA-N 301.350 -0.467 30 20 DBED N#Cc1c[nH]c(C(=O)N2CCC[C@H]3[C@@H]2CCN3C(=O)C(N)=O)c1 962881480 UTCNXOUCPDAGII-RYUDHWBXSA-N 315.333 -0.423 30 20 DBED Cc1nc(O)[nH]c1C(=O)NC[C@@H]1COCCN1C(=O)[C@H](C)C#N 964234650 KTUOZGYCESASJZ-PSASIEDQSA-N 321.337 -0.459 30 20 DBED Cc1nc(O)[nH]c1C(=O)NC[C@@H]1COCCN1C(=O)[C@@H](C)C#N 964234659 KTUOZGYCESASJZ-WCBMZHEXSA-N 321.337 -0.459 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)C12CCN(CC1)C2 964263625 RTTZALNAMWWRLC-STQMWFEESA-N 320.393 -0.415 30 20 DBED C[C@H](C#N)C(=O)N1CC2(C[C@H](NC(=O)c3cn(C)nn3)CO2)C1 965682467 CBEWHOFLOQOJMI-ZJUUUORDSA-N 318.337 -0.926 30 20 DBED CC#CCN1CC[C@H](C)[C@@H](NC(=O)Cn2ncn(C)c2=O)C1 967029160 FUABWTGWKLQIAC-STQMWFEESA-N 305.382 -0.568 30 20 DBED C[C@H](N[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1)c1nnnn1C 968462857 VCLCFKVYSYTTQV-GXSJLCMTSA-N 314.353 -0.025 30 20 DBED N#Cc1c[nH]c(C(=O)N2C[C@@H]3CC[C@H](C2)N3C(=O)CC(N)=O)c1 968704265 IXPNEALTEZSUNJ-PHIMTYICSA-N 315.333 -0.423 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2C)C1 969554888 QEJKWFXDDYUUAT-ZSAUSMIDSA-N 319.405 -0.572 30 20 DBED COc1c(C(=O)N[C@H]2[C@@H]3CN(C(=O)[C@@H](C)C#N)C[C@@H]32)cnn1C 976922370 RBVHEUZGFMXGFF-OHBODLIOSA-N 317.349 -0.225 30 20 DBED Cn1cc(C(N)=O)cc1C(=O)NCC1[C@@H]2CN(CC#N)C[C@@H]12 978439796 NJYJPWQRCFZNSV-RYUDHWBXSA-N 301.350 -0.445 30 20 DBED C=C(C)CN[C@H]1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)[C@@H]1C 986332128 KILXTTVNKSGSDK-OLZOCXBDSA-N 320.393 -0.298 30 20 DBED C=CCn1cc(C(=O)NC2CN(C(=O)c3cn[nH]c3)C2)nn1 991673542 MUZCDKDCSRSMBK-UHFFFAOYSA-N 301.310 -0.558 30 20 DBED C=CCn1cc(C(=O)NC2CN(C(=O)c3cnccn3)C2)nn1 991676565 LKXOCJFSXLXHPK-UHFFFAOYSA-N 313.321 -0.492 30 20 DBED C=CCn1cc(C(=O)N(C)C2CC(N[C@@H](C)C(N)=O)C2)nn1 999524648 WZBWBYOGNLKTAN-WHXUTIOJSA-N 306.370 -0.470 30 20 DBED CC1(C)C(=O)NC(=O)N1CC(=O)NC1CCN(CC#N)CC1 1003909454 SBUKBXYNNYFNPP-UHFFFAOYSA-N 307.354 -0.579 30 20 DBED N#Cc1ccc(CN2CC[C@H](NC(=O)Cn3ncnn3)C2)cc1 1014427118 HQBSPWBGMQNFGM-AWEZNQCLSA-N 311.349 -0.065 30 20 DBED C=CCn1cc(C(=O)N[C@H]2C[C@@H](N[C@@H](CC)C(N)=O)C2)nn1 1022824409 AIILARDSPIRYLX-AXFHLTTASA-N 306.370 -0.422 30 20 DBED CC(F)(F)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 1023429029 LBWMDCKVMKATFB-NXEZZACHSA-N 312.276 -0.157 30 20 DBED O=C(N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O)c1ccns1 1024041552 DDIZZDYOGLEQNV-GHMZBOCLSA-N 305.359 -0.142 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1[C@@H]2CN([C@H](C)C(N)=O)C[C@@H]21 1026101912 UEXMSFRRGVVNJT-QUGYJXMDSA-N 307.394 -0.112 30 20 DBED C=CCN1CC[C@H](N2CCC[C@@H]2CNC(=O)c2nc[nH]n2)C1=O 1028211404 PRTBDIMBKVYJTP-NEPJUHHUSA-N 318.381 -0.214 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCN(Cc2nnnn2C)C1 1028810234 ZRJAPIBTNXESTI-XQQFMLRXSA-N 320.397 -0.261 30 20 DBED C#CCN1C[C@@H]2C[C@H]1CN2C(=O)CN1CCCCS1(=O)=O 1032521690 JGVXJKKZGLUBJU-STQMWFEESA-N 311.407 -0.670 30 20 DBED C#CCN1CCCC[C@@H](NC(=O)CN2CCCS2(=O)=O)C1 1034239082 HQZPMLRGVAWCOI-CYBMUJFWSA-N 313.423 -0.374 30 20 DBED C#CCCN1CC2(CCN(C(=O)[C@@H]3CN(C)C(=O)N3)CC2)C1 1035768514 KANNKPVQWAELQA-ZDUSSCGKSA-N 304.394 -0.042 30 20 DBED C=CCN[C@@H]1CCN(C(=O)CN2C(=O)CN(C)C2=O)C[C@H]1C 1036287577 WPURGHBBPOYCMF-VXGBXAGGSA-N 308.382 -0.107 30 20 DBED C#CCN1CC[C@H]2CN(C(=O)CN3CCC(=O)NC3=O)CC[C@@H]21 1036865866 URUIYFMTKAUDJI-STQMWFEESA-N 318.377 -0.516 30 20 DBED C=CCCN1CC[C@H]1CNC(=O)c1cn(C)c(=O)n(C)c1=O 1038765816 CCTWQESPAZLEDX-NSHDSACASA-N 306.366 -0.536 30 20 DBED C=C(Cl)CN1CC[C@@H]1CNC(=O)[C@@H]1CCN(C)S1(=O)=O 1038801911 QJOLTZOPCRHUDG-MNOVXSKESA-N 321.830 -0.037 30 20 DBED C=C(C)CCN1CC[C@@H]1CNC(=O)[C@@H]1CCS(=O)(=O)N1 1039025313 XIFAFOCFXYFTEF-NEPJUHHUSA-N 301.412 -0.165 30 20 DBED C#CCCN1CC[C@H]1CNC(=O)c1cn(CC(=O)N(C)C)nn1 1039048822 AVXJCAOITDDSFY-LBPRGKRZSA-N 318.381 -0.806 30 20 DBED C#CCCCC(=O)NC[C@@]1(O)CCN(C(=O)Cc2nc[nH]n2)C1 1039576532 RZPYDMXSPRIUEJ-HNNXBMFYSA-N 319.365 -0.770 30 20 DBED C#CCCCC(=O)NC[C@@]1(O)CCN(C(=O)[C@H]2CCNC2=O)C1 1039580562 WPJPZDFZVJVBII-LRDDRELGSA-N 321.377 -0.994 30 20 DBED COCC(=O)N1CC[C@H]2OCCN(c3ccc(C#N)nn3)[C@@H]2C1 1039990853 ZGBGIHVUTHHBNT-CHWSQXEVSA-N 317.349 -0.199 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@](O)(CNC(=O)[C@@H]2CCC(=O)N2)C1 1040441455 YFKFBWZKZWALPN-ZBEGNZNMSA-N 323.393 -0.443 30 20 DBED Cn1cc(C(=O)N[C@@H]2CN(c3ccncc3C#N)C[C@H]2O)nn1 1041011896 KKAMFVAPZOYGHA-ZWNOBZJWSA-N 313.321 -0.939 30 20 DBED CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2c[nH]c(C#N)c2)C1 1041627238 MXHCPKUDGGBGHB-JTQLQIEISA-N 320.349 -0.386 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)[C@H]2CC(=O)N(CC)C2)C1 1041970132 VKNIJSXPZQBIID-LBPRGKRZSA-N 323.393 -0.490 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)c2coc(CC)n2)C1 1042040178 PVEXQDWFTCFDJK-UHFFFAOYSA-N 323.349 -0.257 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)c2ccncn2)C1 1042799043 IXMRVVNHODZXEM-UHFFFAOYSA-N 302.334 -0.417 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(O)CN(C(=O)c2cccnn2)C1 1042806445 HCXBFJIPCLKGRF-CQSZACIVSA-N 320.349 -0.893 30 20 DBED Cc1cc(C(=O)N2CC(O)(CNC(=O)C#CC3CC3)C2)nn1C 1042958197 GRODAAUOTVHUCS-UHFFFAOYSA-N 316.361 -0.555 30 20 DBED C=CCCn1cc(C(=O)NCC2(O)CN(C(=O)C(C)C)C2)nn1 1043228425 MVECNTSVONVXKH-UHFFFAOYSA-N 321.381 -0.187 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)C2(COC)CC2)C1 1043864789 APXFLQMJZFKASS-UHFFFAOYSA-N 324.377 -0.858 30 20 DBED C=C[C@H](C)[C@H](C)C(=O)N1CC(O)(CNC(=O)c2[nH]nnc2C)C1 1044370823 SHUYHNNNSYKCET-UWVGGRQHSA-N 321.381 -0.126 30 20 DBED C#CCN[C@H]1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)[C@H](C)C1 1044761912 CPHCQHKABCGIOC-NEPJUHHUSA-N 318.377 -0.700 30 20 DBED C#CCN[C@H]1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)[C@@H](C)C1 1044775034 JECYGPKOBUWQHN-STQMWFEESA-N 318.377 -0.471 30 20 DBED C#CCCN1C[C@H]2C[C@H](NC(=O)CN3CC(=O)NC3=O)C[C@H]1C2 1047162414 JZTPMOCWFSWUQX-RWMBFGLXSA-N 318.377 -0.469 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)Cn2cc(C3CC3)cn2)C1 1047435755 OOHAGOACDWMHSJ-GJZGRUSLSA-N 302.378 -0.103 30 20 DBED C=CCCC(=O)N1CC[C@@H]([C@H](C)NC(=O)Cn2ncnn2)C1 1050267272 AQLZCYSTEQNNIC-NWDGAFQWSA-N 306.370 -0.008 30 20 DBED C[C@@H]1[C@@H](NC(=O)c2cnn(C)n2)CCN1c1ccnc(C#N)n1 1050426189 BZDRLDAAUKBKMI-ZJUUUORDSA-N 312.337 -0.126 30 20 DBED CN1C(=O)CN(CC(=O)N2CC3(CCN(CC#N)CC3)C2)C1=O 1050730969 QNXDNEAISLPDSU-UHFFFAOYSA-N 319.365 -0.672 30 20 DBED C#CCCN1CCOC[C@H]1CNC(=O)c1cccn2nnnc12 1050935156 WDMKXBPHYJFURM-GFCCVEGCSA-N 314.349 -0.422 30 20 DBED N#CCN1CCOC[C@@H]1CNC(=O)[C@H]1CCc2ncncc2C1 1050952626 RPYLQHFLGYYHAZ-JSGCOSHPSA-N 315.377 -0.078 30 20 DBED C=CCN1CC[C@@H](NC[C@@H]2CN(C(=O)COC)CCO2)C1=O 1051376230 NYFUSNSRUVKCFW-CHWSQXEVSA-N 311.382 -0.763 30 20 DBED C=CCN1CCN([C@H]2CCN(C(=O)Cn3cnnn3)C2)CC1 1051978546 VOPKMTUWZANKPS-ZDUSSCGKSA-N 305.386 -0.922 30 20 DBED C#CCCCC(=O)N1C[C@H](CNC(=O)CNC(=O)NC)[C@@H](C)C1 1052482655 HGLLGHUTIKTVFX-STQMWFEESA-N 322.409 -0.070 30 20 DBED C[C@H](C#N)C(=O)N1CCOC2(C1)CN([C@H]1CCCNC1=O)C2 1053191423 QKKZBKROCJXZAJ-NEPJUHHUSA-N 306.366 -0.662 30 20 DBED C#CCN1CC2(C1)CN(C(=O)c1ccn(C)c(=O)c1)CCO2 1053311742 AGYDVPLUZIQPJO-UHFFFAOYSA-N 301.346 -0.455 30 20 DBED C#CCN1CC2(CC[C@H](CNC(=O)c3c[nH]c(=O)cn3)O2)C1 1053654353 JUKJNNDQWCOWTK-LLVKDONJSA-N 302.334 -0.634 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)c3cc[n+]([O-])cc3)CO2)C1 1053724906 TYOCWILGMBMOEE-AWEZNQCLSA-N 301.346 -0.084 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)c3cc(=O)n(C)cn3)CO2)C1 1053836918 VAMUZRXTBQGZMT-LBPRGKRZSA-N 316.361 -0.623 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)CO2)C1 1053924627 YYAMDSJEJAVHPQ-RWMBFGLXSA-N 321.377 -0.998 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)c3ccc(=O)n(CC)n3)CO2)C1 1053959705 GEGUEOZOEWTRGC-GFCCVEGCSA-N 316.361 -0.531 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H](N[C@H](CC)C(N)=O)C1 1054296180 KINLOUXLNWXSOB-KFWWJZLASA-N 320.437 -0.072 30 20 DBED N#Cc1nccc(N2CCN(C(=O)[C@@H]3COC(=O)N3)CC2)n1 1055785655 MUENGDWFECWIFC-VIFPVBQESA-N 302.294 -0.895 30 20 DBED C[C@@H](C#N)C(=O)N[C@@]1(CO)CCCN(C(=O)c2ccn(C)n2)C1 1056097730 UWWYCNBSCZWTQT-NHYWBVRUSA-N 319.365 -0.337 30 20 DBED Cn1ncc(C(=O)NC2[C@H]3CN(c4cnc(C#N)cn4)C[C@H]23)c1N 1056177016 ZRPKFNYXPTUXRU-QWRGUYRKSA-N 324.348 -0.471 30 20 DBED N#Cc1cnc(N2C[C@@H]3C(NC(=O)Cc4ncc[nH]4)[C@H]3C2)cn1 1056275256 FSSUZQLFUHSNGN-QWRGUYRKSA-N 309.333 -0.135 30 20 DBED N#Cc1cccnc1N1C[C@H]2C(NC(=O)Cn3ncnn3)[C@@H]2C1 1056310134 PYTMYCREDVBKLZ-GHMZBOCLSA-N 310.321 -0.809 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)C1(N(C)C)CCC1 1057873698 JEMDXDQKJPKMIB-GFCCVEGCSA-N 310.398 -0.433 30 20 DBED C[C@H](N=c1cc[nH]c(C#N)n1)[C@H]1CCCCN1C(=O)C(N)=O 1058023720 LBEULNNCQNEDFJ-VHSXEESVSA-N 302.338 -0.563 30 20 DBED Cc1ccc(C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N)nn1 1058653169 OBSXRYMMAFMLGO-JTQLQIEISA-N 305.338 -0.505 30 20 DBED COCc1cc(C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N)no1 1058658792 LRKLGXVLFFEZHB-JTQLQIEISA-N 324.337 -0.469 30 20 DBED CC(=O)N1CC(C(=O)N2CC[C@H](N=c3cc[nH]cc3C#N)C2)C1 1058856078 VFMDOZXMJXNFKY-AWEZNQCLSA-N 313.361 -0.134 30 20 DBED C=CCCC(=O)NC[C@@H]1COCCN1C(=O)CNC(=O)OC 1061395864 CMJKECKMMFBQET-LLVKDONJSA-N 313.354 -0.348 30 20 DBED CCOCC(=O)N1CCOC[C@H]1CNC(=O)c1cc(C#N)c[nH]1 1061465745 VHIZTZOFLWVIPG-GFCCVEGCSA-N 320.349 -0.120 30 20 DBED Cc1nc[nH]c1CC(=O)NC[C@H]1COCCN1C(=O)[C@H](C)C#N 1061744512 GZSAGGAESJSTKR-PWSUYJOCSA-N 319.365 -0.236 30 20 DBED C=CC(C)(C)C(=O)NC[C@H]1COCCN1C(=O)c1nnn(C)n1 1061755511 LPQNDNWSYAQSMD-JTQLQIEISA-N 322.369 -0.621 30 20 DBED Cn1cc(C(=O)NCC2(NC(=O)C#CC3CC3)CCC2)nn1 1062924702 RVCCYUPPZZUVAJ-UHFFFAOYSA-N 301.350 -0.003 30 20 DBED N#Cc1nccc(N2CC[C@H]3CN(C(=O)C(N)=O)CC[C@@H]32)n1 1064033650 OVZNSERDLFQVIS-UWVGGRQHSA-N 300.322 -0.739 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@H]1CN(C(=O)c2cnon2)CCO1 1065507656 QDSZBXJTYTYTRB-QMTHXVAHSA-N 324.337 -0.646 30 20 DBED C[C@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1CN=c1cc[nH]c(C#N)n1 1065867803 KZNZIWHKZBVNOG-VHSXEESVSA-N 312.337 -0.292 30 20 DBED C#CCOCCC(=O)N1CCC[C@H](NC(=O)CC(N)=O)CC1 1066015402 TXTKZQMJQZRRSV-LBPRGKRZSA-N 309.366 -0.601 30 20 DBED N#Cc1ccc(N2CCOC[C@H]2CNC(=O)c2cnon2)cn1 1066497369 ODUQGNVSSVQVOC-GFCCVEGCSA-N 314.305 -0.029 30 20 DBED N#Cc1nc(=NC[C@@H]2CN(C(=O)[C@@H]3CCOC3)CCO2)cc[nH]1 1066598678 MPSJGYMBMCGCMI-VXGBXAGGSA-N 317.349 -0.554 30 20 DBED N#Cc1ccc(N2C[C@H](CNC(=O)c3cn[nH]c3)[C@@H](O)C2)cn1 1067652821 YZVMYXBARRMTLO-FZMZJTMJSA-N 312.333 -0.097 30 20 DBED N#Cc1ccc(N2C[C@H]3CC[C@H]2CN3C(=O)c2cnn[nH]2)nn1 1068071988 SEZKWFDIHZAOQF-WDEREUQCSA-N 310.321 -0.040 30 20 DBED C[C@@H](Nc1ccc(C#N)cn1)[C@@H]1CN(C(=O)C(N)=O)CCO1 1068243604 KYDDTDYCNLAPDN-KOLCDFICSA-N 303.322 -0.534 30 20 DBED C=CCCC(=O)N1CC2(CC[C@H](CNC(=O)CNC(N)=O)O2)C1 1068507622 QJEGLQHBRQWION-LLVKDONJSA-N 324.381 -0.503 30 20 DBED C[C@@H]1C[C@H](N=c2cc[nH]c(C#N)n2)CN1C(=O)c1cnn(C)n1 1069119059 NFBUMLCTRWJNPY-ZJUUUORDSA-N 312.337 -0.386 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H]2CC[C@@H](C)O2)C1 1070035245 QOFJATIVACMHCX-YIYPIFLZSA-N 303.366 -0.180 30 20 DBED CNC(=O)CC(=O)NCC1(NC(=O)[C@H](C)C#N)CCOCC1 1070231027 LJLRFFKPMZVLTR-SNVBAGLBSA-N 310.354 -0.936 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCC[C@@H](NC(=O)CC(=O)NC)C1 1070667866 UIDNDIBCAOEVSO-ABAIWWIYSA-N 311.382 -0.443 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CNC(=O)N2)C1 1071207975 RMFGFYVBTVUONL-MNOVXSKESA-N 308.382 -0.013 30 20 DBED CNC(=O)NCCC(=O)N[C@@H]1CCCN(C(=O)[C@@H](C)C#N)C1 1071229116 IDZXJWNWCBHSHA-WDEREUQCSA-N 309.370 -0.428 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(C(=O)c2ccon2)C[C@H]1C 1071703490 NAWYMRHONCTPTJ-ZYHUDNBSSA-N 318.333 -0.609 30 20 DBED C[C@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1NC(=O)C#CC1CC1 1071727187 VJFNGLFRXUEVHH-CMPLNLGQSA-N 312.391 -0.593 30 20 DBED C=CCOCC(=O)N[C@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@@H]1C 1072615896 CEPIOYSKXFRLRW-JQWIXIFHSA-N 320.349 -0.451 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)c1cocn1 1075924776 HEPNBRBPDXOZCK-JTQLQIEISA-N 306.322 -0.561 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC[C@H](C)NC(=O)[C@@H]1CCC(=O)N1 1076305030 LYBVRULRXHUWPQ-ZIBATOQPSA-N 311.382 -0.397 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)Cn2nnc3c2CCCC3)C1 1077687695 UNFOIXOAIZMJFW-UKRRQHHQSA-N 317.393 -0.659 30 20 DBED CCN(C(=O)C#CC1CC1)C1CN(C(=O)[C@@H]2CCC(=O)NC2)C1 1079742989 TWALWZXKWCGHFV-CYBMUJFWSA-N 317.389 -0.015 30 20 DBED C=C(C)CN1C[C@@H](NC(=O)C2CC3(C2)NC(=O)NC3=O)[C@H](C)C1 1080599094 OYBNNONKCRNRCQ-QZCIIZHISA-N 320.393 -0.013 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1O 1081336082 SYOPRXVCUKUUJC-WDEREUQCSA-N 307.354 -0.670 30 20 DBED N#CCN1C[C@H]2CC[C@H]1[C@H]1CN(C(=O)Cn3cncn3)C[C@@H]21 1087410896 QNMZMWXYLKXXSU-RFGFWPKPSA-N 300.366 -0.030 30 20 DBED C=CCCN1CC[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)[C@H]1C 1089046266 AYLWVCREIAWTJK-GRYCIOLGSA-N 301.412 -0.167 30 20 DBED C[C@H](C[C@@H](C)Nc1cnc(C#N)cn1)NC(=O)c1nnn(C)n1 1089449551 IMMQMDFBNZFRPG-RKDXNWHRSA-N 315.341 -0.119 30 20 DBED CCN(c1ccc(C#N)nn1)[C@H](C)CNC(=O)[C@H]1CCNC1=O 1089722981 LXAWNOVPBMOILN-PWSUYJOCSA-N 316.365 -0.185 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2nnn(C(C)(C)C)n2)[C@H](O)C1 1090278934 IDTQXPVHIIQPDC-VXGBXAGGSA-N 320.397 -0.384 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2ccoc2CC(N)=O)[C@H](O)C1 1090514507 KASGSJSOWGRDDG-QWHCGFSZSA-N 319.361 -0.504 30 20 DBED C=C(C)CCN1CC[C@@H](NC(=O)c2cn(C)c(=O)n2C)[C@@H](O)C1 1090832564 DXVHNBDTYJOPPV-OCCSQVGLSA-N 322.409 -0.145 30 20 DBED N#Cc1nc(=NCCNC(=O)c2cn(C3CCC3)nn2)cc[nH]1 1094175059 LEXORDUJXINVNT-UHFFFAOYSA-N 312.337 -0.071 30 20 DBED C[C@@]1(C(=O)NCCN=c2cc[nH]cc2C#N)CCNC(=O)C1 1094233326 FFZVCRWOXWGOIV-OAHLLOKOSA-N 301.350 -0.180 30 20 DBED C#CCCN1CC(n2cc(CNC(=O)[C@@H]3COCCO3)nn2)C1 1094276887 VVTNVIOJBJKWOZ-AWEZNQCLSA-N 319.365 -0.810 30 20 DBED Cc1cc(=N[C@@H]2CCCN(C(=O)CNC(N)=O)C2)c(C#N)c[nH]1 1095274879 WVMACJRFWJAJCP-GFCCVEGCSA-N 316.365 -0.245 30 20 DBED C#CCNC(=O)CC(=O)NCCCN(C)c1nccnc1C#N 1095541094 DZTUQMRFQZQRRD-UHFFFAOYSA-N 314.349 -0.570 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCN(c2cc(C)nc(C)n2)C1 1096361214 XTGFCQDJGWJHIE-CYBMUJFWSA-N 315.377 -0.072 30 20 DBED Cc1cc(=N[C@@H](C)CNC(=O)[C@@H]2CN(C)CCO2)c(C#N)c[nH]1 1097768012 FSVCOZKNZOXBLL-WFASDCNBSA-N 317.393 -0.069 30 20 DBED C[C@H](CNC(=O)COCCN(C)C)Nc1cncc(C#N)n1 1097953369 BECAATQQANUPMT-LLVKDONJSA-N 306.370 -0.157 30 20 DBED CC[C@@H](NC(C)=O)C(=O)NC[C@H](C)N=c1cc[nH]c(C#N)n1 1098279372 UVLFOWYEKJTONZ-GXSJLCMTSA-N 304.354 -0.399 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCC(N(CCO)C[C@@H](C)O)CC1 1098354335 SOVYWLAZIMYRRB-CZUORRHYSA-N 314.426 -0.020 30 20 DBED C#CCN(CCO)C1CCN(C(=O)c2cn(C)nc2OC)CC1 1098446123 GWGGJRUYTPYCJT-UHFFFAOYSA-N 320.393 -0.039 30 20 DBED CC(C)(C)C#CC(=O)N[C@@H]1CCN(CC(=O)NC2CC2)C[C@@H]1O 1099830821 YPSYOGPZZJCTFH-KGLIPLIRSA-N 321.421 -0.134 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2csnn2)[C@@H](O)C1 1099935904 WVSHPKFMUVMDEM-JQWIXIFHSA-N 310.379 -0.647 30 20 DBED Cc1cc(C#N)nc(N(C)CCNC(=O)c2ncn(C)n2)n1 1100058999 GOPRCZMVCDNIAJ-UHFFFAOYSA-N 300.326 -0.349 30 20 DBED C[C@H](C(=O)NCCN(C)c1ccc(C#N)nn1)[C@@H]1CCC(=O)N1 1100333263 BRKDWKWDQSIMOA-JQWIXIFHSA-N 316.365 -0.185 30 20 DBED CCN(CCNC(=O)[C@H]1CCNC(=O)C1)c1cnc(C#N)cn1 1100498747 FBPOKAJOULNICX-NSHDSACASA-N 316.365 -0.183 30 20 DBED COC(=O)NCC(=O)NCCN(c1cnc(C#N)cn1)C1CC1 1101294218 XVHOAMPUAKHVCI-UHFFFAOYSA-N 318.337 -0.211 30 20 DBED CC[C@H](CNC(=O)Cn1cnnn1)Nc1ccc(C#N)nn1 1102969093 VKGFHFGQAQRVEY-SECBINFHSA-N 301.314 -0.658 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)[C@H]1CCCNC1=O 1104107324 VSXYVCATJXUYEM-MNOVXSKESA-N 316.365 -0.539 30 20 DBED C#CCNCc1cn(C2CN(C(=O)[C@H]3C[C@@]34CCOC4)C2)nn1 1105357880 MKTDBFARNYEUGY-GDBMZVCRSA-N 315.377 -0.189 30 20 DBED CN1CC[C@H](C(=O)N(C)CCN(C)c2ccnc(C#N)n2)C1=O 1105525016 MBZXJSAVGDBROB-NSHDSACASA-N 316.365 -0.279 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)c2nccnc2N)nc1 1105765997 MTZFTSZEKKMZFK-JTQLQIEISA-N 313.321 -0.472 30 20 DBED CC1(C(=O)NC[C@@H](O)CN=c2cc[nH]c(C#N)n2)CCOCC1 1105900894 XVZBEUUVQORJBB-NSHDSACASA-N 319.365 -0.524 30 20 DBED CC[C@@H](C(=O)NC[C@H](O)CNc1nccnc1C#N)N(C)C 1105926200 PITYUYDGBZWPBO-PWSUYJOCSA-N 306.370 -0.423 30 20 DBED C[C@@H]1CN(C(=O)C[C@H]2CCOC2)C[C@H]1CNCC(=O)NCC#N 1105968152 CZLOMUBCGSEIJT-MGPQQGTHSA-N 322.409 -0.263 30 20 DBED C=C[C@@](C)(O)CC(=O)N1C[C@@H](C)[C@H](CNCC(=O)NCC#N)C1 1106059282 QJFIUIPDXGIUJV-XJKCOSOUSA-N 322.409 -0.363 30 20 DBED N#Cc1cncc(NC[C@H](O)CNC(=O)Cc2cscn2)n1 1106126436 MDIBAEZYFYMUEQ-NSHDSACASA-N 318.362 -0.064 30 20 DBED N#Cc1nc(=NC/C=C\CNC(=O)CCc2cnn[nH]2)cc[nH]1 1107529031 GIJVRBHOKODKBR-UPHRSURJSA-N 312.337 -0.395 30 20 DBED C=C(Cl)CN1CCO[C@@](C)(CNC(=O)[C@H]2CNC(=O)N2)C1 1108166863 FYLSVJFVBQVQSY-MFKMUULPSA-N 316.789 -0.373 30 20 DBED CNC(=O)C1(C(=O)N[C@@H](C)CNc2cnc(C#N)cn2)CC1 1108440267 OVCDQXHWJXLNAM-VIFPVBQESA-N 302.338 -0.209 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H]1CC(=O)N(C2CN(CC3CC3)C2)C1 1108546233 RJAFCBNUZBZUOW-JSGCOSHPSA-N 319.405 -0.164 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)[C@]1(C)CCNC1=O 1108694095 CDRJTUOKIIUJKX-LKFCYVNXSA-N 302.338 -0.787 30 20 DBED CS(=O)(=O)CC(=O)N[C@@H]1[C@H]2C[C@H]1N(c1ccncc1C#N)C2 1109693362 SNAAVECMVNMHJF-MRCXROJRSA-N 320.374 -0.309 30 20 DBED N#Cc1cnc(NC[C@@H](NC(=O)[C@H]2CCC(=O)N2)C2CC2)cn1 1109793471 FJDMROKPJRLWOT-VXGBXAGGSA-N 314.349 -0.066 30 20 DBED N#Cc1nccc(NC2(CNC(=O)[C@H]3CC[C@@H]3C(N)=O)CC2)n1 1110299961 LJZQXFKFPGTLHS-UWVGGRQHSA-N 314.349 -0.080 30 20 DBED CN1C[C@H](C(=O)NCC2(N=c3cc[nH]cc3C#N)CC2)CC1=O 1110381076 SVKLILODKVAUSH-LLVKDONJSA-N 313.361 -0.086 30 20 DBED N#Cc1cnc(N2CC[C@](O)(CNC(=O)c3cnco3)C2)cn1 1111121640 KYFKSZWWDGGVCB-AWEZNQCLSA-N 314.305 -0.293 30 20 DBED N#Cc1nc(=NCCN(CCO)C(=O)c2ccsn2)cc[nH]1 1111518474 JZJGWVYBDNZQBC-UHFFFAOYSA-N 318.362 -0.227 30 20 DBED N#Cc1ccc(NCCN(CCO)C(=O)[C@H]2C[C@H]2C(N)=O)nc1 1111566597 OEWWAYMUHSNUJQ-NEPJUHHUSA-N 317.349 -0.693 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)[C@@H]2COCCN2C)CC1 1112770298 JTQKPGXEOYMXTQ-KGLIPLIRSA-N 324.425 -0.848 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)CCc2ncc[nH]2)CC1 1112805912 LJWZJXSTCOILLZ-UHFFFAOYSA-N 304.354 -0.874 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)c2csc(O)n2)CC1 1113226580 HKCWDXYZGXLOSH-SNVBAGLBSA-N 322.390 -0.256 30 20 DBED C[C@H](N=c1cc[nH]cc1C#N)[C@@H](C)NC(=O)C1(C(N)=O)CC1 1113274769 VMUSVJKWKDSPKU-VHSXEESVSA-N 301.350 -0.054 30 20 DBED C=CCNC(=O)NC(=O)CN1CCN(C(=O)[C@H]2CC23CC3)CC1 1113379055 FFTXTDDMVOOYBJ-GFCCVEGCSA-N 320.393 -0.058 30 20 DBED C[C@H](CNC(=O)[C@]1(C)CCC(=O)N1)N(C)c1cnc(C#N)cn1 1113867400 PKEQEINJUACQKZ-BMIGLBTASA-N 316.365 -0.042 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)Cc3cc(C)[nH]n3)[C@H]2C1 1114122748 NXDZFAXWTLURMR-VIKVFOODSA-N 315.377 -0.944 30 20 DBED C#CCCCCC(=O)N[C@H]1[C@@H]2CN(Cc3nnnn3C)C[C@@H]21 1114159759 LGFPOSIKCLYSKG-JYAVWHMHSA-N 302.382 -0.050 30 20 DBED CC(=O)NCC(=O)N1C[C@@H](CN=c2cc[nH]c(C#N)n2)C[C@@H]1C 1114659212 FKHGHHZAFABDIW-CMPLNLGQSA-N 316.365 -0.445 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H]1C[C@H](NC(=O)C2(C(N)=O)CC2)C1 1114811437 ANRHTAQQZZQYBR-UMSPYCQHSA-N 313.361 -0.053 30 20 DBED N#Cc1cnc(NCCCOCCNC(=O)C(N)=O)c(F)c1 1115447429 KQYCRWPPKZPPBW-UHFFFAOYSA-N 309.301 -0.488 30 20 DBED CNS(=O)(=O)CCC(=O)NCC1(NCC#N)CCCCC1 1115535172 MFQQITUVUJDXQA-UHFFFAOYSA-N 316.427 -0.142 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CCO[C@@H]([C@@H]2CCCO2)C1 1117543061 CIBXULYSOXCEHM-FRRDWIJNSA-N 312.366 -0.290 30 20 DBED C=CCN(C)C(=O)C(=O)NC1CCN(C(=O)CCOC)CC1 1117561313 LRLQGUCGFQHHSJ-UHFFFAOYSA-N 311.382 -0.226 30 20 DBED C=CCCOCCNC(=O)C(=O)N[C@@H]1C[C@H]2CCCCN2C1=O 1118079557 HDQZIVVUDFWCBK-CHWSQXEVSA-N 323.393 -0.035 30 20 DBED NCC(F)(F)CC(=O)NCCN/C(O)=C1\N=CC=CC1=O 1118343511 CQYLQSGMGZKEIA-ZHACJKMWSA-N 302.281 -0.387 30 20 DBED C=CCN(C(=O)C(=O)NCCO[C@@H]1CCOC1)[C@@H](C)COC 1119852229 RKOLTMPJYLDYGW-QWHCGFSZSA-N 314.382 -0.042 30 20 DBED N#Cc1cncc(N[C@@H](CO)CNC(=O)Cc2cncs2)n1 1122153372 OZIPBWKVCAUCDC-SNVBAGLBSA-N 318.362 -0.064 30 20 DBED Cc1nsc(N[C@H](CO)CNC(=O)[C@@H]2CCNC2=O)c1C#N 1122353260 AENLYUDLLJQQRF-DTWKUNHWSA-N 323.378 -0.652 30 20 DBED CO[C@@H](C(=O)NC[C@H](CO)Nc1cncc(C#N)n1)C(C)C 1122444966 LTCCLSXUCGGPBF-DGCLKSJQSA-N 307.354 -0.092 30 20 DBED C[C@H](CC(N)=O)C(=O)N(C)C[C@H](O)CN=c1cc[nH]cc1C#N 1124689608 WFVQUNNDMFHVAT-ZYHUDNBSSA-N 319.365 -0.882 30 20 DBED CN(C[C@@H](O)CNc1cncc(C#N)n1)C(=O)c1n[nH]cc1F 1124721847 RFJNGUCLKUJTDU-VIFPVBQESA-N 319.300 -0.245 30 20 DBED C=C(C)CN(CC)C(=O)[C@@H](C)NCCNC(=O)[C@H]1CCC(=O)N1 1124810669 ZKOYSLKHGISPQS-CHWSQXEVSA-N 324.425 -0.216 30 20 DBED N#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)COCC2CC2)C1 1128741589 RRVQYOHAZNLSFC-OLZOCXBDSA-N 304.354 -0.430 30 20 DBED C=CCOCCN[C@@H]1CN(C(=O)COC)C[C@@H]1n1ccnn1 1129490911 UVOHSLGUVXOVAC-OLZOCXBDSA-N 309.370 -0.531 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@@H](C)CC(N)=O)C[C@H]1c1cn(C)cn1 1130639903 QSZMHTCQYQLOOZ-SGMGOOAPSA-N 317.393 -0.551 30 20 DBED CC#CCN1CCOC[C@@H]1c1n[nH]c(CNC(=O)[C@H](C)OC)n1 1130832596 YYCDIRZPSGRGAL-NWDGAFQWSA-N 321.381 -0.148 30 20 DBED CC#CCN1CCNC(=O)CCN(C(=O)CNC(=O)OC)CC1 1131334648 YCUJZLOGYKVRIU-UHFFFAOYSA-N 324.381 -0.984 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)c2nnn(C)n2)CC[C@@H]1C 1132224588 OQLQXFKEOVCMGT-QWRGUYRKSA-N 321.385 -0.905 30 20 DBED C=C(C)CN(CC)C(=O)CNCCNC(=O)[C@H]1CC[C@H]1C(N)=O 1132339053 YYHBZIBPDDQYRO-OLZOCXBDSA-N 324.425 -0.372 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCCNCC(=O)NCCCOC 1134061704 FBDPBSHGPOJHSH-OLZOCXBDSA-N 313.398 -0.564 30 20 DBED C=CCOCCN[C@H](C)C[C@H](C)NC(=O)CNC(=O)NC 1134525053 VQPDIWOIDZRTTN-NEPJUHHUSA-N 300.403 -0.009 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)C1CCN(C)CC1 1135377571 ATNICQYFTQVFLT-KBPBESRZSA-N 322.453 -0.050 30 20 DBED C#CCOCCC(=O)N1CC2(CCN([C@H]3CCCNC3=O)C2)C1 1147534298 CNQUZOMPZGQKIZ-AWEZNQCLSA-N 319.405 -0.161 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)CS(=O)(=O)C(C)C)C1 1150731319 HJHQUMIFXNYTHP-ZDUSSCGKSA-N 316.423 -0.350 30 20 DBED C=CCNC(=O)NC(=O)CNCCCNC(=O)COCC 1154341657 ZACWMJLSFGVFCX-UHFFFAOYSA-N 300.359 -0.869 30 20 DBED CCN(CC#N)[C@H](C)CNC(=O)c1nc(C)n(-c2nc[nH]n2)n1 1154532941 GDZDITALQMLUDT-SECBINFHSA-N 317.357 -0.342 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)Cn1cc(C)cn1 1155264664 DKFZCOYBZOFZAD-ZDUSSCGKSA-N 305.382 -0.575 30 20 DBED C#CCNC(=O)CC(=O)NCCCNCc1nc(CC)no1 1156852426 DAVWOJFUPCLDHE-UHFFFAOYSA-N 307.354 -0.633 30 20 DBED C#CCO[C@@H](C)C(=O)NCCCNCc1nc(CCOC)no1 1157869799 RXWWFQJFRCCUCW-LBPRGKRZSA-N 324.381 -0.107 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@@H](C)c1ccnn1C 1158281785 BOKDGPZXZOUCAD-LBPRGKRZSA-N 305.382 -0.631 30 20 DBED C#CCN(C)C[C@H]1CCCCN1C(=O)c1cn(CC(N)=O)nn1 1158914355 OAOOANYJKDTDOE-GFCCVEGCSA-N 318.381 -0.677 30 20 DBED C#CCN1CCC(CNC(=O)[C@@H]2COCCN2C)(COC)CC1 1162218698 FXUUKQJNCFJQGQ-HNNXBMFYSA-N 323.437 -0.205 30 20 DBED C#Cc1ccc(C(=O)NCCCNCCNS(C)(=O)=O)nc1 1171590191 WALSRDVKRPOWEU-UHFFFAOYSA-N 324.406 -0.678 30 20 DBED CC#CCN1CCO[C@@H]2CCN(C(=O)COCCOC)C[C@@H]21 1176969955 QNDFKPBJXHDHTI-LSDHHAIUSA-N 310.394 -0.026 30 20 DBED COCC#CCN[C@H]1CCN(C(=O)CN2CCOCC2=O)[C@H]1C 1178907652 LTEYJHRLFUAWTJ-KBPBESRZSA-N 323.393 -0.926 30 20 DBED N#CCNC(=O)CN[C@@H]1CCN(C(=O)CCn2cccc2)C1 1186568650 GQIMUELEMNEYQH-CYBMUJFWSA-N 303.366 -0.292 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2ccc(O)nc2)C1 1187556471 IGVKXOHMPHQIDC-GFCCVEGCSA-N 302.334 -0.659 30 20 DBED C=C(C)CCN[C@@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 1187887915 ULAJGSGQAKNCOL-VXGBXAGGSA-N 301.412 -0.165 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2[nH]cnc2C)C1 1188475279 QULGWLXMPVDCNH-VXGBXAGGSA-N 303.366 -0.340 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)C2CC=CC2)C1 1191952320 QOPBUVKXUITODG-MRVWCRGKSA-N 307.394 -0.195 30 20 DBED C=CCNC(=O)CNC[C@@H]1CN(C(=O)C(F)F)CCCO1 1199623365 JZJZWBLDOJPROL-SNVBAGLBSA-N 305.325 -0.239 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC(NCc2nnn(C)n2)CC1 1200532784 YONOEEHXWDOTFH-NSHDSACASA-N 306.370 -0.671 30 20 DBED N#CCNC[C@@H]1CN(C(=O)CN2CCCCC2=O)CCCO1 1200872759 BCUCVJQRCJRTSU-CYBMUJFWSA-N 308.382 -0.270 30 20 DBED C=CCCNC[C@@H]1CN(C(=O)c2nnc(O)nc2O)CCCO1 1200895334 UTRHDJNNYQZOFU-SNVBAGLBSA-N 323.353 -0.320 30 20 DBED C#CCCNC[C@H]1CN(C(=O)[C@]2(C)CCNC2=O)CCCO1 1201396138 SSMOAQSQHNKLCV-XJKSGUPXSA-N 307.394 -0.257 30 20 DBED N#CCNC[C@H]1CN(C(=O)CCN2CCCC2=O)CCCO1 1202089006 ZUPKTJHDXUBXOX-ZDUSSCGKSA-N 308.382 -0.270 30 20 DBED Cc1n[nH]cc1C(=O)N1CCC[C@H](NCC(=O)NCC#N)C1 1208870413 XKENJUSDXLLCLL-NSHDSACASA-N 304.354 -0.448 30 20 DBED C=CCN[C@H]1CCCN(C(=O)[C@@H](CCC(N)=O)NC(C)=O)C1 1210155023 PYCZFEIAGGCGHV-QWHCGFSZSA-N 310.398 -0.477 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)CCCCC(N)=O 1210166181 VYBOIDOCFYWRHH-VXGBXAGGSA-N 323.397 -0.892 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)Cn2ccnc2)C[C@H]1C 1217010704 UAEIJSXWZAROEO-HZSPNIEDSA-N 317.393 -0.543 30 20 DBED CCN(CCC#N)C(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(C)=O 1217152539 JRTKREMZUHZNIE-UONOGXRCSA-N 308.382 -0.320 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2ccccc2F)C1 1219117840 CPQAQLWALCYHLO-KGLIPLIRSA-N 321.352 -0.097 30 20 DBED CN1CC[C@H](N2C[C@H](O)[C@H](NC(=O)C#CC(C)(C)C)C2)C1=O 1219598413 WUZAOMXWIOKMGK-AGIUHOORSA-N 307.394 -0.572 30 20 DBED CCOc1cc(C(=O)N[C@@H]2CN(CC#CCOC)C[C@@H]2O)[nH]n1 1219858298 MUUMLQWNMFTLGP-OLZOCXBDSA-N 322.365 -0.767 30 20 DBED C=C[C@@](C)(CC)C(=O)N[C@@H]1CN(Cc2nnn(C)n2)C[C@@H]1O 1220291902 KBOYRCNWSHXDOR-SUNKGSAMSA-N 308.386 -0.526 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)c2ccnc(C)c2)C1 1220581016 FZWWQLYQGOTKGU-CABCVRRESA-N 303.362 -0.185 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2cnnn2C)C[C@@H]1O 1221143605 KAECZOGHOLCXDH-RTXFEEFZSA-N 309.370 -0.933 30 20 DBED N#CCNC(=O)CN1CC[C@@H]2CN(C(=O)Cc3cnoc3)[C@@H]2C1 1221763158 UORLJVBHDDVHHU-CHWSQXEVSA-N 317.349 -0.610 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)[C@H](C)OCC=C)[C@@H]2C1 1222069235 KIPXVPHNFLHHKI-RRFJBIMHSA-N 319.405 -0.140 30 20 DBED C[C@@H]1COCC[C@@H]1C(=O)NC1CCN(CC(=O)NCC#N)CC1 1229058483 NOCHPFPOAZGBLE-OCCSQVGLSA-N 322.409 -0.121 30 20 DBED C#CCN1CCS(=O)(=O)[C@H](CCNC(=O)c2nc(C)c[nH]2)C1 1230509350 YXAODFRLRNBTDN-GFCCVEGCSA-N 324.406 -0.430 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)Cc1cc(C)on1 1231334500 MCBLNOQXSSFMMF-AWEZNQCLSA-N 318.377 -0.192 30 20 DBED CN(CC(=O)N1CCCC[C@H]1CNCC#N)S(C)(=O)=O 1275004128 NGNKROLVKNCNNB-NSHDSACASA-N 302.400 -0.628 30 20 DBED C=CC1CCN(C(=O)C(=O)N(C)CCNS(C)(=O)=O)CC1 1324911595 LRWMYLUUJZQGIL-UHFFFAOYSA-N 317.411 -0.581 30 20 DBED C[C@@H](CNC(=O)C(=O)N1CC[C@@](O)(CC#N)C1)CN1CCCC1 1328258051 VPPSNHCQZTVQGA-BBRMVZONSA-N 322.409 -0.288 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)C(=O)N2CCC[C@@H]3COC[C@@H]32)C1 1328438139 RQYDZSSZMLGJNB-TYNCELHUSA-N 307.350 -0.499 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N[C@@H]1CCN(CC)C1=O 1330277541 KKHYFRYGPFZFRF-NWDGAFQWSA-N 309.366 -0.732 30 20 DBED C#CCN1CCC(c2nnc(N3CC[C@H](C(N)=O)C3)n2C)CC1 1338167178 UOMYUWPOFSYEJI-ZDUSSCGKSA-N 316.409 -0.061 30 20 DBED CCS(=O)(=O)CC(=O)NCc1ccc(C(=O)NO)cc1 1339549762 SEABUWXOOJSENL-UHFFFAOYSA-N 300.336 -0.144 30 20 DBED C=CCn1c(COC)nnc1N1CCC(C(=O)NCCO)CC1 1348775180 ACOFYUILPANVDB-UHFFFAOYSA-N 323.397 -0.065 30 20 DBED N#CC1(NC(=O)c2cnn(C[C@H](O)CO)c2)CCSCC1 1350971329 DALAGKWAFSRGAT-NSHDSACASA-N 310.379 -0.245 30 20 DBED C#CC1CCN(C(=O)c2cn(C[C@H]3CNC(=O)O3)nn2)CC1 1352949677 MMFFHWDWHBGWNP-LLVKDONJSA-N 303.322 -0.128 30 20 DBED N#Cc1ccc(NCC(=O)N[C@@H](CO)CN2CCCC2)nc1 1362789956 PQDRRHMDNHBFHR-CYBMUJFWSA-N 303.366 -0.062 30 20 DBED CCNC(=O)CCCC(=O)NCCn1cc(C#N)c(O)nc1=O 1363130316 WAGDQYAFNGPLNM-UHFFFAOYSA-N 321.337 -0.757 30 20 DBED N#Cc1ccc(CCC(=O)N2C[C@@H](C(N)=O)[C@H](C(N)=O)C2)cc1 1363317006 OVWVMCCALCSVNZ-CHWSQXEVSA-N 314.345 -0.464 30 20 DBED N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)C[C@@H]1CCC(=O)N1 1363558574 JGADCZFKWSHHFH-VIFPVBQESA-N 318.337 -0.275 30 20 DBED CN(C[C@H](O)c1cccnc1)c1[nH]c(=O)n(C)c(=O)c1C#N 1364222537 FCEMQUDBBUSTBG-NSHDSACASA-N 301.306 -0.490 30 20 DBED C[C@@H](CN(C)C(=O)CN1CCCNC1=O)NC(=O)[C@@H](C)C#N 1382098114 VGZSSKRBMZWMJT-QWRGUYRKSA-N 309.370 -0.476 30 20 DBED C[C@@H](C#N)C(=O)NC1CCN(C(=O)C[C@H]2CCC(=O)N2)CC1 1396831511 HLNILYXIPWRJMZ-CMPLNLGQSA-N 306.366 -0.078 30 20 DBED COc1ccc(C(=O)N(C)C[C@H](O)CNC(=O)[C@@H](C)C#N)nn1 1405659766 WZTPBKSWDXVQGA-VHSXEESVSA-N 321.337 -0.806 30 20 DBED C=C(Cl)CNC[C@@H](O)CNC(=O)c1ccnc2c1nnn2C 1406272857 RXDAEVJDZAHGIY-SECBINFHSA-N 324.772 -0.204 30 20 DBED Cc1nnsc1CNC(=O)CCn1cc(C#N)c(O)nc1=O 1412182050 RBFVZCJDCAOWPR-UHFFFAOYSA-N 320.334 -0.313 30 20 DBED N#Cc1cn(CCNC(=O)NC[C@@H]2CCCCO2)c(=O)nc1O 1413722613 SMJZJOYLKDDTCZ-NSHDSACASA-N 321.337 -0.311 30 20 DBED C[C@H](C#N)C(=O)N1CC(CNC(=O)CN(C)C(=O)C2CC2)C1 1416091857 CPMTZAAGPYATAT-SNVBAGLBSA-N 306.366 -0.411 30 20 DBED C[C@H](C#N)C(=O)NCCN1CCN(CC(=O)NC2CC2)CC1 1417914465 AGOJEGWGPUZMNK-GFCCVEGCSA-N 307.398 -0.842 30 20 DBED CCN(CCC#N)C(=O)CN1CCOC[C@H]1CNC(=O)C1CC1 1440234760 KGHZOPWMKUXFME-CQSZACIVSA-N 322.409 -0.024 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C)[C@H](C)C(=O)NC(=O)NC1CC1 1442377456 KUZVGUHBQIHFKS-VHSXEESVSA-N 309.370 -0.429 30 20 DBED CCN1CCOC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@H](C)C#N)C1 1445952271 COYGNDJCIXFWMN-MQYQWHSLSA-N 322.409 -0.122 30 20 DBED CN1CC[C@H]1CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1456043446 YRHDRDYVUWFVEU-LBPRGKRZSA-N 322.390 -0.343 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@]1(C)CCN(C(=O)Cc2nc[nH]n2)C1 1459544995 LSYRMVAVXJIJTQ-IINYFYTJSA-N 304.354 -0.138 30 20 DBED CS(=O)(=O)N1CC(CNC(=O)Nc2ccc(C#N)cn2)C1 1467104753 ZUIWEEQYFVPBHZ-UHFFFAOYSA-N 309.351 -0.034 30 20 DBED C[C@@H](O)C[C@@H]1CCCCN1C(=O)Cn1cc(C#N)c(O)nc1=O 1467730070 JGIYQQZDMMOMIS-PWSUYJOCSA-N 320.349 -0.027 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNCC(=O)NCC1CCCCC1 1482716903 SZESWFDZLAYHSO-TZMCWYRMSA-N 324.425 -0.091 30 20 DBED CCN(CCNC(=O)c1cc(C#N)c[nH]1)C(=O)[C@H](C)NC(C)=O 1496697995 FPOYNFOWYYWKCF-JTQLQIEISA-N 319.365 -0.011 30 20 DBED C=CCNC(=O)CN1CC2(C1)CN(C(=O)[C@@H]1C[C@H]1C)CCO2 1502406966 XAIZGUQBJWWORW-CHWSQXEVSA-N 307.394 -0.142 30 20 DBED N#Cc1c[nH]c(C(=O)NCC2(NC(=O)Cn3cncn3)CC2)c1 1506000861 MASWQPSJRKFQBK-UHFFFAOYSA-N 313.321 -0.443 30 20 DBED C[C@H](C#N)C(=O)N[C@@H](CNC(=O)c1cnnc(O)c1)C1CC1 1524440037 JHFRJOVYMCJUHG-KCJUWKMLSA-N 303.322 -0.034 30 20 DBED C[C@@H](C#N)C(=O)NCC1CN(C(=O)c2cc(C(N)=O)c[nH]2)C1 1530880379 MVBYOEBAVOQXRN-QMMMGPOBSA-N 303.322 -0.539 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)c2cn(C)nc2C)C1 1567887644 NUFOGEDVSJCMNM-GFCCVEGCSA-N 303.366 -0.718 30 20 DBED COc1cc(C(=O)N2CCC[C@@H]2CNCC(=O)NCC#N)on1 1569537716 CUUFROLRNPIYNQ-SNVBAGLBSA-N 321.337 -0.483 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@@H]2CNC(=O)CNC(=O)O)cn1 1573311818 HMIDBLVFZHYVHY-GFCCVEGCSA-N 316.317 -0.339 30 20 DBED C[C@H](C#N)C(=O)N(C)CCN(C)c1ccc(-c2nn[nH]n2)nn1 1573561112 ISFKVUMYVTWGDW-SECBINFHSA-N 315.341 -0.289 30 20 DBED C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)NC(=O)[C@H](C)C#N 1573585656 UJERVMKMHWJGFA-SFYZADRCSA-N 316.325 -0.411 30 20 DBED C#CCC[C@@H](O)CNC(=O)N[C@H]1CC2(CNC2)n2ccnc21 1574545418 PQTYEDWFWKCIEA-NEPJUHHUSA-N 303.366 -0.300 30 20 DBED C#CCN(C)c1nnc(C(=O)NC(C)C)n1CC1(N)COC1 1574604475 QOTWSCPOFGRGBJ-UHFFFAOYSA-N 306.370 -0.787 30 20 DBED Cc1nc2n(n1)C[C@H](Nc1cnc(-c3nn[nH]n3)c(C#N)n1)CC2 1581532331 FBUVLQZTIKWYDL-MRVPVSSYSA-N 323.324 -0.145 30 20 DBED C#C[C@@H](NC(=O)NCCn1cnc(-c2nn[nH]n2)n1)C(C)C 1588329435 GIQUBMFSWZXXNF-SECBINFHSA-N 303.330 -0.585 30 20 DBED C#C[C@@H](NC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O)[C@H]1CCCO1 1588374256 SFOGTCCNHYQPOJ-UKKRHICBSA-N 311.338 -0.556 30 20 DBED C[C@@](C#N)(CC(=O)O)C(=O)NCc1nc([C@@H]2CCOC2)n[nH]1 1588542405 ZFWQWWKIGFHJMY-OQPBUACISA-N 307.310 -0.071 30 20 DBED N#CCC1(O)CN(S(=O)(=O)c2ccccc2-c2nn[nH]n2)C1 1592673975 VTUOQNSNKMVEHR-UHFFFAOYSA-N 320.334 -0.484 30 20 DBED CC1=C(C(=O)N(CC#N)CCC(=O)O)S(=O)(=O)CCO1 1594090742 RWLPWHRLAVYQRL-UHFFFAOYSA-N 302.308 -0.510 30 20 DBED Cc1cc(Cn2c(=O)c(C#N)cn(CC(=O)O)c2=O)ncn1 1594309433 WARCYSNXJUKFBE-UHFFFAOYSA-N 301.262 -0.887 30 20 DBED CN(C(=O)[C@@H]1C[C@@H]1C(=O)O)C1CN(C(=O)CSCC#N)C1 1597998215 IXVIYTDSOHGGJB-ZJUUUORDSA-N 311.363 -0.367 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC(NC(=O)[C@@H]3C[C@@H]3C(=O)O)C2)c1 1601084146 JZPZINRWSKDCTM-ZJUUUORDSA-N 302.290 -0.452 30 20 DBED COC(=O)C1=NO[C@@H](Cn2cnc(-c3nn[nH]n3)c2C#N)C1 1604920429 HYBGTCPGIMTGNH-ZCFIWIBFSA-N 302.254 -0.747 30 20 DBED Cn1cc(-c2nn[nH]n2)c(NC(=O)N[C@H]2CCCN(O)C2=O)n1 1606223354 NLDHFRZRTOYHKJ-ZETCQYMHSA-N 321.301 -0.898 30 20 DBED Cc1nc(O)c(C#N)c(C)c1CCC(=O)NC[C@H](O)C(=O)O 1607483503 VBPSWAJALNZPHE-NSHDSACASA-N 307.306 -0.230 30 20 DBED N#CC1(C(=O)O)CCN(C(=O)C2CN([C@@H]3CCOC3)C2)CC1 1608171639 PDSIVZURYXGLED-GFCCVEGCSA-N 307.350 -0.076 30 20 DBED N#Cc1cc(CS(=O)(=O)N2CC[C@](O)(C(=O)O)C2)cs1 1608197439 ZGIINZOUXPPDJC-LLVKDONJSA-N 316.360 -0.029 30 20 DBED N#Cc1nccc(N2CCN(C(=O)[C@@H]3C[C@@H]3C(=O)O)CC2)n1 1608225374 MZGOHUNQDNKRAG-ZJUUUORDSA-N 301.306 -0.282 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)NC[C@@H]1CCCS(=O)(=O)C1 1647189029 JFMGVJNEJKUPLP-QWRGUYRKSA-N 323.440 -0.263 30 20 DBED Cn1cc([C@@H]2CN(C(=O)CC#N)CCN2C(=O)CC#N)cn1 1649758335 UODKQOVWHXPGSU-LBPRGKRZSA-N 300.322 -0.041 30 20 DBED C#CCNC(=O)CN(CC)CCCNC(=O)c1cnccn1 1752158144 JCLGFXLIELXIBX-UHFFFAOYSA-N 303.366 -0.332 30 20 DBED C#CCN1CCN(CCNC(=O)c2ccnc3ccnn23)CC1 1752366019 ONSQYYDVFXUOPM-UHFFFAOYSA-N 312.377 -0.290 30 20 DBED C=CCCOCC(=O)N1C[C@@H]2CC[C@H](C1)N2CC(=O)NC(N)=O 1753312021 PJQVWGNBSHRZSL-TXEJJXNPSA-N 324.381 -0.551 30 20 DBED C#CCNC(=O)CN[C@@H](CNC(=O)c1cncnc1C)C(C)C 1753825469 WQTAMJTVINBSLI-AWEZNQCLSA-N 317.393 -0.122 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)CCN(C)C(=O)CCn1ccnc1 1753858576 HQQVLJYSTBVKOG-CQSZACIVSA-N 319.409 -0.199 30 20 DBED C#CCOCCC(=O)N[C@H]1CCC[C@H]1CNCc1nnnn1C 1753885472 UOEXPBQUUZFYHY-STQMWFEESA-N 320.397 -0.376 30 20 DBED C#CCCNC[C@H](O)CNC(=O)Cc1cnn2c1CCCC2 1753913777 KYJKUKQQHJZHAQ-AWEZNQCLSA-N 304.394 -0.148 30 20 DBED C=CCn1cc(C(=O)NC[C@H](O)CNCc2ncc(C)o2)nn1 1753929869 LQLACGOYJRZKFB-LLVKDONJSA-N 320.353 -0.359 30 20 DBED CCN(CCNCC#CCOC)C(=O)[C@H]1CCNC(=O)CC1 1754058856 NZJHXNIJUSPNBT-CQSZACIVSA-N 309.410 -0.009 30 20 DBED C#CCNC(=O)CNC[C@H](C)NC(=O)c1cnc2n1CCC2 1754271002 ZHQDLHVJTXFJPV-NSHDSACASA-N 303.366 -0.713 30 20 DBED COCCC(C)(C)C(=O)N[C@H]1[C@H]2C[C@H]1N(CC(=O)NCC#N)C2 1754429850 YEWNPEPHAGMHFG-SCRDCRAPSA-N 322.409 -0.122 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCC1(NCCN2CCNC2=O)CC1 1754525553 VLGQKRNWKZRHRL-OLZOCXBDSA-N 322.409 -0.159 30 20 DBED C=CCCC(=O)NC[C@@]1(O)CCN(CCN2C(=O)CCC2=O)C1 1754745659 FHKQJVUUWUCBHN-INIZCTEOSA-N 323.393 -0.345 30 20 DBED C#CCNC[C@@H]1CN(C(=O)[C@H]2CCc3cncn3C2)CCO1 1755006050 WWYOMWMYAXRJLP-DZGCQCFKSA-N 302.378 -0.104 30 20 DBED C#CCNC(=O)CN[C@H]1CN(C(=O)c2cn(C)nc2C)C[C@H]1C 1755104659 ICTZFFWQQFFURL-RISCZKNCSA-N 317.393 -0.472 30 20 DBED C=C(C)CN(C)[C@@H](C)CNC(=O)c1cn(CC(=O)N(C)C)nn1 1755328778 ULXCPIKVYPOQCM-LBPRGKRZSA-N 322.413 -0.008 30 20 DBED CCc1cc(C(=O)N[C@@H](C)C2CN(CC(=O)NCC#N)C2)n[nH]1 1755370116 ISQUEMIVENCRKR-JTQLQIEISA-N 318.381 -0.338 30 20 DBED Cc1nc(O)nc(O)c1CC(=O)N[C@@H](C)C1CN(CC#N)C1 1755387358 IAIGJBRQWPGTQB-QMMMGPOBSA-N 305.338 -0.301 30 20 DBED N#CCNC(=O)CN1C[C@@H]2C(CNC(=O)C[C@@H]3CCOC3)[C@H]2C1 1755420368 LMPPNNITUDWZPB-IACUBPJLSA-N 320.393 -0.653 30 20 DBED C=CCn1cc(C(=O)NC[C@@H](CO)NCc2cc(C)no2)nn1 1755640032 CFISOKVOPRFDLV-NSHDSACASA-N 320.353 -0.359 30 20 DBED CC#CCN[C@@H](CO)CNC(=O)c1cccc(NC(N)=O)c1 1755645817 GKHOLXFIYQEMMB-CYBMUJFWSA-N 304.350 -0.119 30 20 DBED C[C@@H](CCCNC(=O)C1(NC(N)=O)CC1)NC(=O)[C@@H](C)C#N 1756341721 NQSLEVMSTZZYHU-UWVGGRQHSA-N 309.370 -0.252 30 20 DBED CN(C[C@H](O)CNC(=O)c1cnnc(O)c1)C(=O)C#CC1CC1 1756661582 BAAJECOCVSETHJ-GFCCVEGCSA-N 318.333 -0.855 30 20 DBED C#Cc1cncc(C(=O)NC[C@@H](O)CN(C)C(=O)[C@@H](C)C#N)c1 1756676671 UILSIFWDJLPLRZ-SMDDNHRTSA-N 314.345 -0.228 30 20 DBED C=CCC1(C(=O)N2C[C@@H](NC(=O)C(N)=O)[C@H](OC)C2)CCC1 1757146080 NODXKXCQPMNWEF-GHMZBOCLSA-N 309.366 -0.440 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(C(=O)c2cc(C)no2)C[C@@H]1O 1757185473 PWOOCTCWIDMIML-NEPJUHHUSA-N 323.349 -0.123 30 20 DBED N#CCC(=O)N1CC2(CCCN2C(=O)CCn2ccnn2)C1 1846622323 KWSYNANDTLYKME-UHFFFAOYSA-N 302.338 -0.215 30 20 DBED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](C)O 1847261397 DGVOGMWKEHKUDB-PMSGKRBCSA-N 321.377 -0.573 30 20 DBED CC(C)[C@@](C)(C#N)NC(=O)Cn1c(=O)c(C#N)cn(C)c1=O 11263232 JAEUKMAELBDDTD-CQSZACIVSA-N 303.322 -0.527 30 20 DBED COCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 135090494 IVEYMSNAANHYJH-SNVBAGLBSA-N 311.363 -0.012 30 20 DBED CCN(C[C@H](C)C#N)C(=O)Cn1nnc2c(cnn2C)c1=O 154427823 KGFAQOOQISUYEG-SECBINFHSA-N 303.326 -0.467 30 20 DBED N#Cc1ccc(S(=O)(=O)N[C@H]2CCCS(=O)(=O)C2)cn1 227528394 TUUVYSZBWQZBLI-JTQLQIEISA-N 315.376 -0.191 30 20 DBED COCCN(CCC#N)S(=O)(=O)N(C)C[C@H](C)C(=O)O 263493496 PSUVZEZIZRVZRJ-JTQLQIEISA-N 307.372 -0.254 30 20 DBED Cn1c(N2CCCC3(C2)OCCO3)c(C#N)c(=O)n(C)c1=O 269392262 AJHLISMOHSUZTO-UHFFFAOYSA-N 306.322 -0.701 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1CCC(O)(C(=O)OC)CC1 271547900 ZORKOQSTJCCCKA-JTQLQIEISA-N 313.354 -0.613 30 20 DBED N#Cc1ccc(NC(=O)C(=O)N(CCO)CCO)c(Cl)c1 275345334 YPWCDIKRHAYWLW-UHFFFAOYSA-N 311.725 -0.037 30 20 DBED C#CCOc1cccc(NC(=O)C(=O)N2C[C@@H](O)[C@H](O)C2)c1 277619262 WAFGLMUROQYDOM-CHWSQXEVSA-N 304.302 -0.799 30 20 DBED COCCN1CN(S(=O)(=O)c2cccnc2C#N)CC1=O 282533417 VRNNWQFMNHJMMH-UHFFFAOYSA-N 310.335 -0.610 30 20 DBED C=CCOc1ccccc1CNC(=O)C(=O)N1CCNC(=O)C1 287361431 NLPLEYVAJHEHMF-UHFFFAOYSA-N 317.345 -0.174 30 20 DBED C=CCCS(=O)(=O)N1CCC[C@@H](CNS(N)(=O)=O)C1 330855526 PJKWIBKJXDKAFV-JTQLQIEISA-N 311.429 -0.603 30 20 DBED C=CCNC(=O)CN1CCS(=O)(=O)C[C@@H]1c1cnn(C)c1 331194293 RJCIVYDXVGOPOG-GFCCVEGCSA-N 312.395 -0.506 30 20 DBED N#Cc1ccc(N2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)nc1 336859626 JINGMIQMKPEFPI-QWHCGFSZSA-N 322.390 -0.767 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N2CC[C@@H]([C@H]3CCOC3)C2)CCO1 336889586 IOAZNVHUOPHPNX-FRRDWIJNSA-N 315.395 -0.186 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)NC[C@@H](O)C1CCOCC1 337971945 PQEKVOXJZNIGIV-CMPLNLGQSA-N 305.400 -0.158 30 20 DBED Cc1c(C#N)cccc1C(=O)N1CCN(S(N)(=O)=O)CC1 338123000 XVAYVPRHQSZCMI-UHFFFAOYSA-N 308.363 -0.172 30 20 DBED CC(=O)Nc1nc(C(=O)NCCn2cnc(C#N)n2)cs1 342892426 NOUAELBUIYQOLC-UHFFFAOYSA-N 305.323 -0.005 30 20 DBED CCCN(CC#N)C(=O)CN1CCN(S(C)(=O)=O)CC1 345834306 QEOFHLPFEDKPHW-UHFFFAOYSA-N 302.400 -0.674 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)NC[C@@H](O)[C@H]2CCOC2)cc1 347104003 OUIHIJNSSHZKBS-UONOGXRCSA-N 317.345 -0.198 30 20 DBED CCOC(=O)[C@@H]1CCCN(C(=O)Cn2cncc(C#N)c2=O)C1 351774418 NXSLGONCIULSRO-LLVKDONJSA-N 318.333 -0.083 30 20 DBED CCO[C@@H]1COCC[C@@H]1Nc1c(C#N)c(=O)n(C)c(=O)n1C 353274574 HXFCQTFMWGEQNB-WDEREUQCSA-N 308.338 -0.438 30 20 DBED COC(=O)[C@H]1CCN(C(=O)NCCn2cnc(C#N)n2)[C@H]1C 357853134 AIHFIUKXWHBKHY-UWVGGRQHSA-N 306.326 -0.257 30 20 DBED CC[C@@H](O)CCNC(=O)C(=O)Nc1nn(C(C)C)cc1C#N 359339018 AKVMMZPCICNGDM-LLVKDONJSA-N 307.354 0.551 30 20 DBED CN(C(=O)C1CCN(S(N)(=O)=O)CC1)C1(C#N)CCC1 408102566 BHKCJKQUINQOJR-UHFFFAOYSA-N 300.384 -0.193 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CC[C@@]3(CCNC3)C2)nn1 424539417 FCJQDDLLMDBEIN-OAHLLOKOSA-N 318.381 -0.708 30 20 DBED C=CCOCC(=O)N1CCN(S(=O)(=O)NC(C)C)CC1 457850707 VMGOMNQKYVCRII-UHFFFAOYSA-N 305.400 -0.424 30 20 DBED CN([C@@H]1CCN(S(C)(=O)=O)C1)S(=O)(=O)CCCC#N 490111866 FGTQAXVAEZZWIU-SNVBAGLBSA-N 309.413 -0.414 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)C2(OC)CCCC2)CC1 491494434 CKGVYAXWNQPWLW-UHFFFAOYSA-N 307.394 -0.161 30 20 DBED COC(=O)[C@H]1CN(C(=O)[C@@H](C)n2cnc(C#N)n2)C[C@@H](C)O1 513395661 VAADVWWHDZOPPA-OPRDCNLKSA-N 307.310 -0.500 30 20 DBED COC(=O)CN(CC#N)S(=O)(=O)[C@@H]1CCC[C@@H]1C(=O)OC 530538091 AYYYJPVMCBGEDA-VHSXEESVSA-N 318.351 -0.344 30 20 DBED CN(C)S(=O)(=O)NCC(=O)NCc1ccc(C#N)cc1F 597161588 WMMKDDPGJOZBII-UHFFFAOYSA-N 314.342 -0.290 30 20 DBED COC(=O)[C@H](COC(C)C)N(C)C(=O)Cn1cnc(C#N)n1 610887653 MUIOMOVZDRHYRL-JTQLQIEISA-N 309.326 -0.425 30 20 DBED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N(C)CCOCCN 627290682 XQWZKGSPBGVHOT-QWHCGFSZSA-N 313.398 -0.483 30 20 DBED C#CCNS(=O)(=O)N1CCN([C@H](C)c2cnccn2)CC1 767331568 KXMYOCIBOKQUJL-GFCCVEGCSA-N 309.395 -0.377 30 20 DBED NS(=O)(=O)c1ccccc1NN=C1CCS(=O)(=O)C1 773120962 NYWUOBIIDYXRPR-UHFFFAOYSA-N 303.365 -0.080 30 20 DBED CS(=O)(=O)NCCNC(=S)NCc1ccc(C#N)cn1 780211887 PZVDIDNGCOCTGR-UHFFFAOYSA-N 313.408 -0.533 30 20 DBED C#Cc1cccc(NC(=O)C(=O)NN2CC(=O)N(C)C2=O)c1 785305017 QGQPHOOMHCCFML-UHFFFAOYSA-N 300.274 -0.468 30 20 DBED CN(C(=O)C(=O)NCCNc1ncccc1C#N)[C@@H]1CCOC1 787786626 AMWBVGVDEITBPE-GFCCVEGCSA-N 317.349 -0.271 30 20 DBED COCCONC(=O)C(=O)NCCNc1ncccc1C#N 787790910 PQXCIPIAZKDCBD-UHFFFAOYSA-N 307.310 -0.824 30 20 DBED O=C(N[C@@H]1CCCN(O)C1=O)c1ccc(-n2cnnn2)cc1 816755880 LATUMLVJEWMLOI-LLVKDONJSA-N 302.294 -0.228 30 20 DBED C#CCNC(=O)CCNC[C@H]1CCC[C@@]12NC(=O)N(C)C2=O 819129449 JCTPRUVESITIIW-IAQYHMDHSA-N 306.366 -0.564 30 20 DBED C=CCNC(=O)CNC(=O)Cc1noc(C)c1-c1nn[nH]n1 823919579 KVZSRIUBKPUPKT-UHFFFAOYSA-N 305.298 -0.876 30 20 DBED N#CCN1CCC(NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 826382283 WXZGEIBOQBDZOI-UHFFFAOYSA-N 300.326 -0.087 30 20 DBED CNC(=O)[C@H](NC(=O)CN(CC#N)CC(=O)O)c1ccccc1 830975929 YLZZPMMPGLQRNR-CQSZACIVSA-N 318.333 -0.500 30 20 DBED C=CCN1CC[C@@H](OC(=O)CN(C)S(=O)(=O)N(C)C)C1=O 845204454 XEFSKERTZDQXTK-SNVBAGLBSA-N 319.383 -0.945 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)COCC=C)CCO1 871461996 NRRPBDOQUWFHRP-ZDUSSCGKSA-N 312.366 -0.265 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)NC/C=C/Cl)CC1 899033542 USWQVTOEOWKRPI-ONEGZZNKSA-N 320.802 -0.466 30 20 DBED C#C[C@H](NC(=O)C(=O)NC[C@H]1CCCCCN1)[C@H]1CCCO1 911148633 YWELOHUUIQSBCX-HZSPNIEDSA-N 307.394 -0.068 30 20 DBED C=CCN(CCOC)C(=O)C(=O)NCCO[C@H]1CCOC1 932863434 QMKVQJMLPIEVNA-LBPRGKRZSA-N 300.355 -0.431 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC(=O)N1C 937559280 QFVGEOKDECEOQX-NOOOWODRSA-N 304.350 -0.421 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)c3cnn[nH]3)C2)cn1 938238600 OXQPDCBWGDXUAI-LBPRGKRZSA-N 310.317 -0.175 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H]1CNC(=O)c1nnc(O)nc1O 944248061 CMCKNXADOIKFEJ-JGVFFNPUSA-N 320.309 -0.837 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2[C@H]3C[C@H]2N(C(=O)c2nc[nH]n2)C3)c1 948008155 GBKQXNVRAZFTJW-YNEHKIRRSA-N 322.328 -0.176 30 20 DBED N#Cc1cc(C(=O)N2CC[C@@H]2CNC(=O)[C@H]2COC(=O)N2)c[nH]1 949690728 QICSORCQZQCOHN-GHMZBOCLSA-N 317.305 -0.675 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]1CNC(=O)c1ccc(C(N)=O)[nH]1 952154347 NWJQMBMIQXGPGC-RKDXNWHRSA-N 303.322 -0.396 30 20 DBED N#Cc1cc(C(=O)N2CC[C@H]3CCN(C(=O)C(N)=O)[C@H]3C2)c[nH]1 953304845 BDSCVYGRNPJIPP-CABZTGNLSA-N 315.333 -0.565 30 20 DBED CN(C(=O)c1ccc(C#N)[nH]1)C1CN(C(=O)[C@H]2COCCO2)C1 954080069 TXOZLZKZUGABIC-CYBMUJFWSA-N 318.333 -0.415 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@]2(CCCCN(C(=O)C(N)=O)C2)C1 956561484 USUHNJFRCXKUDN-NHYWBVRUSA-N 306.366 -0.137 30 20 DBED C#CCCN1C[C@@H](O)[C@@H](CNC(=O)c2cn3c(n2)CCC3)C1 958082584 YYZTYEYFJIZMIQ-GXTWGEPZSA-N 302.378 -0.125 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H]2CN(C(=O)Cc3cc[nH]n3)C[C@@H]21 960879630 CPFVGCKWZMBBFC-WCFLWFBJSA-N 317.349 -0.450 30 20 DBED CO[C@@H](C)C(=O)N1CCOC[C@H]1CNC(=O)c1ccc(C#N)[nH]1 964159776 DYMGUJGMTCPJCE-CMPLNLGQSA-N 320.349 -0.122 30 20 DBED Cc1nnccc1C(=O)NC[C@@H]1COCCN1C(=O)[C@@H](C)C#N 964275177 XLFPCINFDQTQFR-CMPLNLGQSA-N 317.349 -0.098 30 20 DBED CCN(C(=O)c1cc(=O)n(C)o1)C1CN(C(=O)[C@H](C)C#N)C1 967908598 RRJJUKCRTZJQIW-SECBINFHSA-N 306.322 -0.189 30 20 DBED C=CCN1CC([C@@H](C)NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 970512780 KEVRZYYQEAFKNL-SNVBAGLBSA-N 306.366 -0.680 30 20 DBED C=CCCN1C[C@H]2CC[C@H]1CN2C(=O)Cn1ncn(C)c1=O 971539381 LKLDNCZLTHXMSM-QWHCGFSZSA-N 305.382 -0.167 30 20 DBED C=CCN1C[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C(C)(C)C1 974601195 ULSAOCGDLLQZAM-SNVBAGLBSA-N 306.370 -0.610 30 20 DBED CCN1C[C@H](C(=O)N[C@H]2[C@@H]3CN(C(=O)[C@H](C)C#N)C[C@@H]32)CC1=O 976665018 XJOVTUIDQOXNDM-SSKLVLDBSA-N 318.377 -0.413 30 20 DBED C#CCN1CCCC2(C1)CN(C(=O)CC[C@@H]1NC(=O)NC1=O)C2 982141419 DNLFJEAAYHCTOF-LBPRGKRZSA-N 318.377 -0.468 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CN(C(=O)c3cnn[nH]3)C[C@@]2(C)C1 993344864 FUSCZBXQVJKVPL-ISTVAULSSA-N 302.338 -0.115 30 20 DBED C#CCN1CCC(C(=O)NC2CN(C(=O)c3nc[nH]n3)C2)CC1 993851261 BZGVMZHDPZTFGO-UHFFFAOYSA-N 316.365 -0.910 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CCCOC2)C1 994749410 AWOLHLZXCDBBDA-ZFWWWQNUSA-N 319.405 -0.162 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC(NC(=O)Cn2ccnc2)C1 994926045 LBHZPYWOXVNAIR-AWEZNQCLSA-N 315.377 -0.692 30 20 DBED N#CCNC1CCN(C(=O)c2cn([C@H]3CCOC3)nn2)CC1 997167650 VSCJWZIWIQEBKT-LBPRGKRZSA-N 304.354 -0.043 30 20 DBED C#Cc1ccc(C(=O)N2CC(NC(=O)c3cn(CC)nn3)C2)cn1 998786726 HKEJLIHZKFOISF-UHFFFAOYSA-N 324.344 -0.071 30 20 DBED C#CCN[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(CCOC)C2)C1 999298061 KQSLFASYTUULKY-UONOGXRCSA-N 307.394 -0.305 30 20 DBED N#CCN1CC=C(CNC(=O)C2CC3(C2)NC(=O)NC3=O)CC1 1001254922 QPWYKHPBKRVKLE-UHFFFAOYSA-N 317.349 -0.754 30 20 DBED C=CC(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)CC(N)=O)C2)C1 1007626598 HUMLEXOOVWCQHX-INIZCTEOSA-N 323.393 -0.096 30 20 DBED C[C@]12CN(C(=O)C#CC3CC3)C[C@@]1(C)CN(C(=O)CC(N)=O)C2 1010960676 ZJUZSRMEJDMJLV-CALCHBBNSA-N 317.389 -0.028 30 20 DBED C#CCN1CCC[C@@H](CNC(=O)c2cc(=O)n3[nH]cnc3n2)C1 1023700617 VQTDXERGFIBUIF-NSHDSACASA-N 314.349 -0.507 30 20 DBED Cc1nn(CC(=O)N2C[C@@H]3CC[C@H](NCC#N)[C@H]3C2)c(=O)n1C 1026408314 CWZYEYSKJUSPEE-AVGNSLFASA-N 318.381 -0.760 30 20 DBED C=CCCN1CCC[C@@H]1CNC(=O)c1cn(C)c(=O)n(C)c1=O 1028177325 AOMABJQHFKBSKH-GFCCVEGCSA-N 320.393 -0.146 30 20 DBED C=C(Cl)CN1CC[C@@H](CNC(=O)[C@H]2CCS(=O)(=O)N2)C1 1028990783 QQWFEINBTQXLLM-WDEREUQCSA-N 321.830 -0.131 30 20 DBED N#Cc1cc(C(=O)NC2CN(CCN3CCCC3=O)C2)c[nH]1 1030234939 KPSHTPQWVMGHDH-UHFFFAOYSA-N 301.350 -0.077 30 20 DBED C#CCN1CCC(C(=O)NC2CN(Cc3n[nH]c(C)n3)C2)CC1 1031434854 HPAFSBNFHAAHLM-UHFFFAOYSA-N 316.409 -0.241 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2Cc1nnnn1C1CC1 1032317667 ZCFKYXJULNHFMQ-USWWRNFRSA-N 301.354 -0.047 30 20 DBED CC(=O)N1CCOC[C@H]1C(=O)N[C@H]1CC[C@H](NCC#N)CC1 1034796952 KWJFWMBOYURING-IHRRRGAJSA-N 308.382 -0.226 30 20 DBED N#Cc1ccc(C(=O)NC[C@H]2CCN2[C@@H]2CCC(=O)NC2=O)[nH]1 1038172780 KGKVDWJEZGMOBY-ZYHUDNBSSA-N 315.333 -0.504 30 20 DBED C#CCCCC(=O)NC[C@@]1(O)CCN(C(=O)CN2CCCC2)C1 1039575704 DURBFNCULAAKGE-KRWDZBQOSA-N 321.421 -0.035 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@@]1(O)CCN(C(C)=O)C1 1039715100 JDRBRQOLQSUVJF-HIFRSBDPSA-N 311.382 -0.443 30 20 DBED CCc1n[nH]cc1C(=O)NC[C@]1(O)CCN(C(=O)[C@@H](C)C#N)C1 1040262771 JILVXMWHZIELGU-ZUZCIYMTSA-N 319.365 -0.175 30 20 DBED CCn1cnc(C(=O)N2CC[C@](O)(CNC(=O)[C@H](C)C#N)C2)c1 1040760835 QIECUZDWNGKQOL-ABAIWWIYSA-N 319.365 -0.244 30 20 DBED C[C@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)Cn2cccn2)C1 1040764859 ZSUJHSYSLLILGD-RISCZKNCSA-N 305.338 -0.878 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CN(c3nccnc3F)C[C@H]2O)c[nH]1 1040957478 YBHGIBHOBSWKPJ-GHMZBOCLSA-N 316.296 -0.205 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)[C@H](C)OCCOC)C1 1041962967 CDMNCZZHZQYZFI-LBPRGKRZSA-N 314.382 -0.306 30 20 DBED C=CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)Cc2ccon2)C1 1042220225 MVCKWZJRFVBNQD-LLVKDONJSA-N 323.349 -0.502 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)C[C@@H]2CCCO2)C1 1042936875 SNYQUUURSOKDTP-ZDUSSCGKSA-N 308.378 -0.096 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)C(=O)C(C)(C)C)C1 1043032941 NFNKUVXLXUBJCM-UHFFFAOYSA-N 324.377 -0.669 30 20 DBED C=CC(C)(C)CC(=O)NCC1(O)CN(C(=O)CNC(C)=O)C1 1043206228 ZZIPSKAPDJVCEI-UHFFFAOYSA-N 311.382 -0.586 30 20 DBED C=CCCN1CC(N(C)C(=O)C2(n3cnnn3)CCOCC2)C1 1044030389 AMXVTIFSOBNJAL-UHFFFAOYSA-N 320.397 -0.103 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)c2c[nH]nc2C)C1 1044350468 HLMSSYMLZZTOBT-UHFFFAOYSA-N 320.349 -0.939 30 20 DBED C#CCN1[C@H]2CC[C@H]1CN(C(=O)[C@@H]1COCCN1C(C)=O)CC2 1045893954 KCNBWJBMMDNTPS-JYJNAYRXSA-N 319.405 -0.068 30 20 DBED C#CCN1CCC(F)(F)[C@H](CNC(=O)[C@H]2CNC(=O)N2)C1 1046969056 VHXFTFKHTOSXTR-NXEZZACHSA-N 300.309 -0.626 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCc3nn[nH]c32)C1 1047505752 VCRNBAMGRHZOGQ-XBFCOCLRSA-N 317.393 -0.249 30 20 DBED C#CCCCCC(=O)N(C)[C@H]1CN(C(=O)CC(N)=O)C[C@@H]1O 1048705039 QNRCOEGSCLWOEC-RYUDHWBXSA-N 309.366 -0.915 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C2(NC(N)=O)CC2)C1 1048708216 AOCXAIHMPYZARW-QWRGUYRKSA-N 324.381 -0.816 30 20 DBED CC(C)C#CC(=O)N1CC[C@@H]([C@@H](C)NC(=O)Cn2ncnn2)C1 1050672922 NDSNLXGYUFDURY-CHWSQXEVSA-N 318.381 -0.314 30 20 DBED CNC(=O)NCC(=O)N[C@@H](C)[C@@H]1CCN(C(=O)C#CC(C)C)C1 1050678985 ISBSUNWRXMISBT-QWHCGFSZSA-N 322.409 -0.072 30 20 DBED N#Cc1cc(C(=O)NC[C@@H]2COCCN2Cc2cnon2)c[nH]1 1050880849 YMNCBHCGLUXPQC-CYBMUJFWSA-N 316.321 -0.100 30 20 DBED CC1(C)C[C@@H](NC(=O)C(N)=O)CCN(c2cncc(C#N)n2)C1 1051377195 QIRHEDLFFXVEPJ-JTQLQIEISA-N 316.365 -0.055 30 20 DBED CCN1CC[C@H](NC[C@@H]2CN(C(=O)C#CC3CC3)CCO2)C1=O 1051609436 SPPWRDWDZUWRBI-CABCVRRESA-N 319.405 -0.162 30 20 DBED C#CCN1CC2(C1)CN(C(=O)Cc1ccn(CC)n1)CCO2 1053263226 JDPBZXRONYTIOG-UHFFFAOYSA-N 302.378 -0.008 30 20 DBED CCn1ccc(CC(=O)N[C@H]2COC3(C2)CN(CC#N)C3)n1 1053810647 YRGSRPUITCKOHZ-CYBMUJFWSA-N 303.366 -0.071 30 20 DBED C=CCCN1CC2(C[C@@H](NC(=O)[C@@H]3CC(=O)NC(=O)N3)CO2)C1 1053940688 JOFYXVWQZJOYOX-MNOVXSKESA-N 322.365 -0.880 30 20 DBED C=C[C@@](C)(O)CC(=O)N1[C@H]2CC[C@@H]1C[C@H](CNC(=O)C(N)=O)C2 1054504247 IHALQWZGZFGFJY-AZKPJATDSA-N 323.393 -0.315 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@](CO)(NC(=O)Cc2ccon2)C1 1055847114 HNFOXUTUTFGGCW-XHDPSFHLSA-N 320.349 -0.154 30 20 DBED N#Cc1cncc(N2CCCN(C(=O)Cn3cnnn3)CC2)n1 1057092858 CBWHWVVOCXNXRM-UHFFFAOYSA-N 313.325 -0.926 30 20 DBED N#Cc1cc(C(=O)N(CCO)CCNC(=O)c2cocn2)c[nH]1 1057391683 IWLTUZQMDQXPTL-UHFFFAOYSA-N 317.305 -0.261 30 20 DBED C=CC(C)(C)C(=O)NCCN(CCO)C(=O)C(C)(C)C(N)=O 1057881267 PHMNVBABKNBFQX-UHFFFAOYSA-N 313.398 -0.353 30 20 DBED CN1CCOC[C@H]1C(=O)N[C@@H]1CCN(c2ccc(C#N)cn2)C1 1058319492 VSJYUNHTIYQCIA-KGLIPLIRSA-N 315.377 -0.021 30 20 DBED N#Cc1cnc(N2CC[C@@H](NC(=O)[C@H]3CCNC3=O)C2)cn1 1058508273 YLRNADSEEVEODU-KOLCDFICSA-N 300.322 -0.821 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)Cc1cscn1 1058658941 OQVWAPFHQSHLKQ-SNVBAGLBSA-N 310.379 -0.218 30 20 DBED N#Cc1ccc(N[C@H]2C[C@H](NC(=O)[C@@H]3CC[C@H]3C(N)=O)C2)nn1 1059368308 NRPBXUBMGMWYGJ-DDHJBXDOSA-N 314.349 -0.081 30 20 DBED C#CCCCC(=O)NC[C@H]1COCCN1C(=O)CNC(=O)CC 1061536676 TWAHAMDFQXZRKS-ZDUSSCGKSA-N 323.393 -0.340 30 20 DBED Cc1nonc1C(=O)NC[C@@H]1COCCN1C(=O)C#CC(C)C 1061686373 YRIVXCLZOYCPSO-GFCCVEGCSA-N 320.349 -0.005 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)c2cn(C)nn2)CCO1 1065113138 BPSUUKVHAQLSTB-LLVKDONJSA-N 307.354 -0.262 30 20 DBED C=CCO[C@H](C)C(=O)N1CCO[C@H](CNC(=O)c2ncc[nH]2)C1 1065278271 HRJDIQCUHVRJFJ-VXGBXAGGSA-N 322.365 -0.042 30 20 DBED C=CCCCC(=O)N1CCO[C@@H](CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 1065548570 OQGFUIARGCKWLY-XQQFMLRXSA-N 323.393 -0.192 30 20 DBED C=CC(C)(C)C(=O)NC[C@H]1CN(C(=O)C2(C(N)=O)CC2)CCO1 1065551299 UACZRALXEXKKLU-NSHDSACASA-N 323.393 -0.192 30 20 DBED CN(C(=O)c1cnon1)[C@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1065599001 AQQQVNOHHQSVQK-UWVGGRQHSA-N 315.293 -0.947 30 20 DBED C=CCO[C@H](C)C(=O)N1CCC[C@@H](NC(=O)CC(N)=O)CC1 1066014475 JFANUDALEMCTKM-VXGBXAGGSA-N 311.382 -0.050 30 20 DBED N#Cc1cnccc1N1C[C@@H](O)[C@H](CNC(=O)c2cn[nH]c2)C1 1067650588 AWEUGJADTAZQLO-TZMCWYRMSA-N 312.333 -0.097 30 20 DBED N#Cc1cnc(N2C[C@@H](O)[C@H](CNC(=O)c3cc[nH]n3)C2)cn1 1067651438 LVNJIUWZXPXTQD-BXKDBHETSA-N 313.321 -0.702 30 20 DBED N#Cc1cccnc1NC[C@H]1C[C@H](NC(=O)Cn2cnnn2)C1 1068449776 ZQMJKGAHOPXIJP-UMSPYCQHSA-N 312.337 -0.053 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2ncccc2O)C[C@@H]1n1ccnn1 1070181156 YZMITACADCYOER-NEPJUHHUSA-N 312.333 -0.333 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2oncc2C)C[C@@H]1n1ccnn1 1070305052 BAJDDUFBDGZBMH-NEPJUHHUSA-N 300.322 -0.137 30 20 DBED NC(=O)CN1C[C@H]2C[C@H]3CN(C(=O)C#CC4CC4)C[C@@]3(C1)O2 1070797890 CTBZRRRYHVGTRI-WOSRLPQWSA-N 303.362 -0.813 30 20 DBED C[C@@]1(C(=O)N2CCC(=O)NCCN(CC#N)CC2)CCOC1 1071011660 OEQSLNBQKPSBRD-OAHLLOKOSA-N 308.382 -0.413 30 20 DBED C=CCOCC(=O)N1C[C@H](C)[C@@H](NC(=O)c2cn(C)c(O)n2)C1 1071811995 PCJIUPPOKLIUHS-QWRGUYRKSA-N 322.365 -0.095 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CC[C@@H](C)N(CC(N)=O)C2)nn1 1071883388 KJLMJPKLBHTHHP-MNOVXSKESA-N 306.370 -0.468 30 20 DBED C[C@H]1CN(C(=O)Cn2nccn2)C[C@H]1NC(=O)C#CC1CC1 1072184271 SVKFERCRYHRZOV-WCQYABFASA-N 301.350 -0.345 30 20 DBED CNC(=O)NCC(=O)N1C[C@H](C)[C@H](NC(=O)C#CC(C)C)C1 1072267550 COBBFEDMAJWBFY-NWDGAFQWSA-N 308.382 -0.462 30 20 DBED CNC(=O)NCC(=O)N[C@H]1CCN(C(=O)[C@@H](C)C#N)CC1(C)C 1073411033 BDPPBBMDAXZFDI-QWRGUYRKSA-N 323.397 -0.182 30 20 DBED C[C@H]1CN(C(=O)C#CC2CC2)CC[C@H]1NC(=O)CCNC(N)=O 1073954529 KTEVTMUZLBKFSB-WCQYABFASA-N 320.393 -0.189 30 20 DBED C#CCCN1CCO[C@@H]2CCN(C(=O)CS(C)(=O)=O)C[C@@H]21 1074177051 FOYGSBNTQKMVJJ-QWHCGFSZSA-N 314.407 -0.644 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CN(Cc3ccon3)C[C@H]2O)c[nH]1 1076905979 IGZIRISCCQHJID-CHWSQXEVSA-N 301.306 -0.151 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2c[nH]c3ccncc3c2=O)C1 1077073116 MCJUMERVAHZCKO-ZIAGYGMSSA-N 312.329 -0.669 30 20 DBED C[C@@H](CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)NC(=O)C#CC1CC1 1078456443 WEHFMCYLOFZALD-WCFLWFBJSA-N 321.377 -0.556 30 20 DBED C=CCCC(=O)N1CCN(CCCCCNC(=O)C(N)=O)CC1 1079164732 PRNLDKQMEHPVPO-UHFFFAOYSA-N 324.425 -0.131 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2ccncc2)C1 1081160753 HZDYDMUMTQSHQN-UONOGXRCSA-N 319.361 -0.167 30 20 DBED CC(C)(F)C(=O)NC[C@H]1CN(C(=O)CSCC#N)C[C@@H]1O 1081170452 YYTBYNJLNJBACX-UWVGGRQHSA-N 317.386 -0.073 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)c2ccnnc2)C[C@H]1O 1081445486 WLDGDBMUXVAKEN-ZIAGYGMSSA-N 316.361 -0.171 30 20 DBED CC(C)(C)C#CC(=O)NC[C@@H]1CN(C(=O)c2cnn[nH]2)C[C@H]1O 1081477354 RRQLTGRZOFAYEN-ZYHUDNBSSA-N 319.365 -0.597 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CC(=O)N(CC)C1 1083098922 MGERDPSNDGZPIA-SOUVJXGZSA-N 319.405 -0.210 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)[C@H]3CN(C(C)=O)CCO3)C[C@@H]2C1 1088187299 PLUVGPNDRDSSPG-OWCLPIDISA-N 319.405 -0.353 30 20 DBED CCN(c1cncc(C#N)n1)[C@H](C)CNC(=O)CNC(C)=O 1089580444 MQEBKZGZIFOIAO-SNVBAGLBSA-N 304.354 -0.185 30 20 DBED Cn1nc2c(c1C(=O)N[C@H]1CCN(CC#N)C[C@H]1O)CCCC2 1090296608 BNLNBQHWBOIKPS-UONOGXRCSA-N 317.393 -0.013 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CN(c2ccc(C#N)c(C)n2)C[C@H]1O 1090361182 TZACURURNLIPNH-CHWSQXEVSA-N 317.349 -0.937 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2ccnc(NC(C)=O)c2)[C@@H](O)C1 1090657666 FXQVQCDRZJQDMH-KGLIPLIRSA-N 316.361 -0.162 30 20 DBED COCc1nn(C)cc1C(=O)NCCN=c1cc[nH]c(C#N)n1 1093953232 DJGJEHZIFWBPLN-UHFFFAOYSA-N 315.337 -0.508 30 20 DBED C[C@H]1CCCN1CC(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1 1094783318 OJSBPLGKCIKYSW-STQMWFEESA-N 319.409 -0.604 30 20 DBED CN(CCCNC(=O)[C@H]1CCNC(=O)C1)c1ccc(C#N)nn1 1095516473 VVIAKXAMMKVMIU-NSHDSACASA-N 316.365 -0.183 30 20 DBED CS(=O)(=O)CC(=O)NC[C@H](Nc1cnc(C#N)cn1)C1CC1 1096612304 XQQDSLWLYTWSEJ-NSHDSACASA-N 323.378 -0.300 30 20 DBED CC(=O)NCC(=O)N1[C@H]2CC[C@H]1CN(c1ccc(C#N)nn1)C2 1096879281 LUYJBAMKEVNPLF-STQMWFEESA-N 314.349 -0.336 30 20 DBED C[C@H](CNC(=O)[C@]1(C)CCNC1=O)Nc1nccnc1C#N 1098261087 LVWAVOKTAIPQAP-YMTOWFKASA-N 302.338 -0.209 30 20 DBED CN1CC[C@@H](C(=O)N2CCC(N(CC#N)CCO)CC2)C1=O 1098457109 UVKSZGDQONBVSJ-CYBMUJFWSA-N 308.382 -0.726 30 20 DBED C[C@H](CCNC(=O)CS(C)(=O)=O)Nc1ccc(C#N)nn1 1098852287 IBKYROPRUSEGRC-SECBINFHSA-N 311.367 -0.300 30 20 DBED C#CCO[C@@H](C)C(=O)NCC[C@@H](C)Nc1ccc2nnnn2n1 1099522652 UNFQIBXEXIBCPG-MNOVXSKESA-N 317.353 -0.136 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2cccn2C)[C@@H](O)C1 1099669178 NPUXYQFUUCSOPY-HIFRSBDPSA-N 305.378 -0.160 30 20 DBED C#CCCN1CC[C@H](NC(=O)CCN2CCOCC2)[C@@H](O)C1 1100036941 PZEPRCTVTSFKAM-GJZGRUSLSA-N 309.410 -0.717 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2nccs2)[C@@H](O)C1 1100044454 WWKPKUUDANLYRS-NEPJUHHUSA-N 309.391 -0.042 30 20 DBED Cc1nnc(CC(=O)NCCN(C)c2cncc(C#N)n2)o1 1100052148 BEBUYOPMZQBTOL-UHFFFAOYSA-N 301.310 -0.165 30 20 DBED CNC(=O)NCCC(=O)NCC1CC(NCC#CCOC)C1 1100303742 OBPMXMOFWKXDFU-UHFFFAOYSA-N 310.398 -0.560 30 20 DBED CCCN(CCNC(=O)[C@@H]1CNC(=O)N1)c1ccnc(C#N)n1 1101235724 FMXJUKWIMKRHFD-JTQLQIEISA-N 317.353 -0.638 30 20 DBED CN(CCNc1ncccc1C#N)C(=O)CN1C(=O)CCC1=O 1101609652 OIKQVLLMEWMEIP-UHFFFAOYSA-N 315.333 -0.027 30 20 DBED Cc1nc(NCCN(C)C(=O)c2nnn(C)n2)ccc1C#N 1101896985 UOVXXFUASIBEED-UHFFFAOYSA-N 300.326 -0.031 30 20 DBED CC[C@H](NC(C)=O)C(=O)NC[C@@H](CC)N=c1cc[nH]c(C#N)n1 1103317097 AGDMPJIMYNBVAO-NEPJUHHUSA-N 318.381 -0.008 30 20 DBED CCCC(=O)NCC(=O)NC[C@H](C)CN=c1cc[nH]c(C#N)n1 1103867321 UUODAWGYBSYHGF-LLVKDONJSA-N 318.381 -0.149 30 20 DBED C[C@H](CNc1ccc(C#N)nc1)N(C)C(=O)Cn1cnnn1 1104447903 QLWQHDNDPGUGIK-SNVBAGLBSA-N 300.326 -0.101 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)CC(=O)N(C)C 1104835087 KKJMPAGJQOOEJD-JTQLQIEISA-N 304.354 -0.493 30 20 DBED C=CCCOCC(=O)N1CC(n2cc(CNC[C@@H](C)O)nn2)C1 1105380842 HZUZGNXXJIXZDB-GFCCVEGCSA-N 323.397 -0.276 30 20 DBED Cc1nonc1C(=O)N1CC(n2cc(CNCC#N)nn2)C1 1105382677 MAPJSLLIWRYVQZ-UHFFFAOYSA-N 302.298 -0.720 30 20 DBED C#CCN1CC(OC2CCN(C(=O)COCCN(C)C)CC2)C1 1105730989 HHBFPVVFNUNLAU-UHFFFAOYSA-N 323.437 -0.110 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)c2cccc(O)n2)nn1 1105776414 RLTUAUNCXHBRMH-SNVBAGLBSA-N 314.305 -0.348 30 20 DBED CCc1cc(C(=O)NC[C@H](O)CNc2cncc(C#N)n2)n[nH]1 1105778648 TZSQQKJIFATKKB-LLVKDONJSA-N 315.337 -0.163 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)C[C@H]2COC(=O)C2)cn1 1105819863 MQHMEQMGFZWCQU-ZWNOBZJWSA-N 318.333 -0.205 30 20 DBED Cn1nnc2c(NC[C@@H](O)CNC(=O)C#CC3CC3)ncnc21 1105826100 YGTAQWVHCIVBMI-JTQLQIEISA-N 315.337 -0.939 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1C 1105888857 BCBDHGZDVMNOFB-CHWSQXEVSA-N 316.423 -0.635 30 20 DBED CCN(C)CCC(=O)NC[C@H](O)CNc1nccnc1C#N 1105944158 KSFLFMILWFHGGB-NSHDSACASA-N 306.370 -0.421 30 20 DBED Cc1nonc1CC(=O)NC[C@H](O)CNc1ccc(C#N)nc1 1105948144 VDRGWOLUHRDCMS-GFCCVEGCSA-N 316.321 -0.224 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)[C@]1(C)CCC(=O)N1 1106943364 FOVXEBAPJXOLMO-HNNXBMFYSA-N 316.365 -0.301 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)[C@@H]2CCN(C)C2)C[C@H]1C 1106981088 GBPQGHOXYVSIFC-RBSFLKMASA-N 320.437 -0.628 30 20 DBED C=CCCN1CC(n2cc(CNC(=O)C3(C(N)=O)CC3)nn2)C1 1107202381 FUIUVPBNTDRVND-UHFFFAOYSA-N 318.381 -0.407 30 20 DBED COCC#CCN1CCO[C@@](C)(CNC(=O)c2cnn(C)c2)C1 1107729248 IWKAUISLWWBZMS-INIZCTEOSA-N 320.393 -0.109 30 20 DBED C[C@H](CNc1cncc(C#N)n1)NC(=O)[C@@]1(C)CNC(=O)C1 1108016586 LRHICBRYOLHWDQ-YMTOWFKASA-N 302.338 -0.209 30 20 DBED C[C@@H](CNc1cncc(C#N)n1)NC(=O)[C@@]1(C)CCNC1=O 1108694496 UPZCONFQDFNDPT-XPTSAGLGSA-N 302.338 -0.209 30 20 DBED C[C@@H](CN(C)c1nccnc1C#N)NC(=O)[C@@H]1COCCO1 1108829545 ONNLWNMBEQUXCP-JQWIXIFHSA-N 305.338 -0.295 30 20 DBED C[C@H](CN(C)c1nccnc1C#N)NC(=O)[C@@H]1CCCNC1=O 1109128328 OMAUKPLRRPQDOT-GHMZBOCLSA-N 316.365 -0.185 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC 1109268276 YRDPCQJVPQYQHR-MQYQWHSLSA-N 307.394 -0.118 30 20 DBED C[C@@H](CN(C)c1cncc(C#N)n1)NC(=O)[C@@H]1CCC(=O)NC1 1109305960 WSLVQEXAIWAIHB-WDEREUQCSA-N 316.365 -0.185 30 20 DBED N#Cc1nc(=NC[C@@H](NC(=O)Cc2nc[nH]n2)C2CC2)cc[nH]1 1109899627 KCEVWRSNALWXQA-SNVBAGLBSA-N 312.337 -0.562 30 20 DBED CC1(NC(=O)CC(N)=O)CCN(c2nccnc2C#N)CC1 1110589189 DHIUXMMJUWFYPM-UHFFFAOYSA-N 302.338 -0.301 30 20 DBED C#CCOCCC(=O)NC[C@]1(O)CCN(c2ccc(C)nn2)C1 1111097570 CBLJHKQGOCJGTO-MRXNPFEDSA-N 318.377 -0.118 30 20 DBED C#CCOCCC(=O)N(C)[C@H]1CN(c2cc(C)ncn2)C[C@@H]1O 1111190465 DKRILLPQQNGLFK-KBPBESRZSA-N 318.377 -0.167 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)COCc1ncnn1C 1111212333 VMKGUEGKJVKFSO-UPJWGTAASA-N 303.366 -0.314 30 20 DBED Cc1cc(C#N)nc(NCCN(CCO)C(=O)c2nc[nH]n2)n1 1111496598 QAEOYSVUVDOXAJ-UHFFFAOYSA-N 316.325 -0.679 30 20 DBED CC(=O)NCC(=O)NCC1(Nc2ccnc(C#N)n2)CCC1 1111748293 OXDJSWPRNWGTIU-UHFFFAOYSA-N 302.338 -0.065 30 20 DBED CC(C)(O)CC(=O)NC[C@H]1CN(c2ccnc(C#N)n2)C[C@H]1O 1112718312 UAYHCHZSDGFONB-WDEREUQCSA-N 319.365 -0.577 30 20 DBED COC[C@@H](OC)C(=O)NC[C@@H](C)N(C)c1ccnc(C#N)n1 1113858229 UAWSURLRWCWMMA-GHMZBOCLSA-N 307.354 -0.049 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)CCOC(C)C)[C@@H]2C1 1113897711 ZGSGRTYGFMIGIR-CHWSQXEVSA-N 307.394 -0.403 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2[C@@H]3CN(CCOCCO)C[C@@H]32)[nH]1 1114145578 RYWWQOZRYQECJZ-IMRBUKKESA-N 304.350 -0.445 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)[C@@H](OCC)C(C)C)[C@@H]2C1 1114268641 OZWDNEMFNVGXDN-IOASZLSFSA-N 321.421 -0.157 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)COCC(F)F)[C@@H]2C1 1114619462 WTAMMEPSNCTIRW-NXEZZACHSA-N 317.336 -0.383 30 20 DBED C#CCOCCNC(=O)C(=O)N(CCO)Cc1ccccc1 1117436440 LROMVQYWRNZTDG-UHFFFAOYSA-N 304.346 -0.227 30 20 DBED CO[C@@H]1CCN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)[C@H](C)C1 1118250676 VYANBJCCOBZLIW-LALPHHSUSA-N 309.366 -0.111 30 20 DBED C=CCN(C(=O)C(=O)N[C@@H](C)CS(C)(=O)=O)[C@H](C)COC 1118683674 ZLGSRCRMKCOLNL-WDEREUQCSA-N 320.411 -0.415 30 20 DBED Cc1cc(C(=O)NC[C@H](CO)Nc2cncc(C#N)n2)on1 1121062595 UIJJVVLSMIWIOT-SNVBAGLBSA-N 302.294 -0.153 30 20 DBED CCNC(=O)CCC(=O)NC[C@@H](CO)Nc1ccc(C#N)cn1 1121206589 YHBPGDQKSKCSTK-LBPRGKRZSA-N 319.365 -0.241 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@H](CO)Nc1cc(COC)ncn1 1121405912 QSDLDLNYQMMUJK-IUODEOHRSA-N 324.381 -0.161 30 20 DBED Cc1nccc(C(=O)NC[C@H](CO)Nc2nccnc2C#N)n1 1121657288 ACHUJNQVVZXWOS-SNVBAGLBSA-N 313.321 -0.351 30 20 DBED CO[C@H](C(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1)C1CCC1 1122364862 PGJDTKMIVCBLJF-RISCZKNCSA-N 319.365 -0.526 30 20 DBED CN(C)CC1(C(=O)NC[C@@H](CO)Nc2cncc(C#N)n2)CC1 1122507723 FQFNYJZOUIFYJF-LBPRGKRZSA-N 318.381 -0.421 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)CNC(=O)CCC 1124343325 BENJEFUNBRUSAD-UHFFFAOYSA-N 324.425 -0.191 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)[C@H]1C[C@H]2CC[C@H]1O2 1124986927 ZIRZCPXLNDLGAD-GRYCIOLGSA-N 324.381 -0.729 30 20 DBED N#CCSCC(=O)N[C@@H]1CN(CCCO)C[C@@H]1n1ccnn1 1128730946 OORXRZFUKWCUHV-NEPJUHHUSA-N 324.410 -0.741 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)C1(CC#C)CCOCC1 1129120854 GXYPRCIODMAZLM-CQSZACIVSA-N 319.405 -0.350 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCNCc1c(C)nnn1CC 1129770072 ADTWQOVJOSNBQK-AWEZNQCLSA-N 318.425 -0.090 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)C(=O)NCC4CC4)C[C@@]3(C1)O2 1131279702 LQCSFECIFJCSQW-JJRVBVJISA-N 317.389 -0.553 30 20 DBED CNC(=O)NCC(=O)N[C@@H]1CC[C@H](C)N(CC#CCOC)C1 1132090174 DRWLBPAWXZZFTC-QWHCGFSZSA-N 310.398 -0.466 30 20 DBED COCC#CCN1C[C@@H](NC(=O)CCNC(N)=O)CC[C@H]1C 1132478184 JSWHQDCLFCCOBC-OLZOCXBDSA-N 310.398 -0.336 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)c1cnc(C)[nH]1 1133916285 FWANKVHTIQIBCH-GHMZBOCLSA-N 305.382 -0.046 30 20 DBED Cc1nc(C(=O)N[C@H](C)C[C@@H](C)NCC#N)nn1-c1nc[nH]n1 1135140746 SSSIMBJNKRWWDX-RKDXNWHRSA-N 317.357 -0.296 30 20 DBED N#CCN1CCCO[C@@H](CNC(=O)C[C@H]2CCCC(=O)N2)C1 1149959636 GLTCJTRPAGXRHI-OLZOCXBDSA-N 308.382 -0.224 30 20 DBED C#CCCN1CCCO[C@H](CNC(=O)C(=O)NCC2CC2)C1 1150519970 YZFZAIHEIIBKBI-CQSZACIVSA-N 307.394 -0.257 30 20 DBED CC(C)(C)C(=O)NC[C@@H]1CN(CC(=O)NCC#N)CCCO1 1150624577 BYVRNNTWSNONQM-GFCCVEGCSA-N 310.398 -0.121 30 20 DBED C#CCN1CCC(CCOC)(NC(=O)Cn2nccn2)CC1 1151150630 WBWWDHBOQAMMDK-UHFFFAOYSA-N 305.382 -0.101 30 20 DBED C#CCNC(=O)CC(=O)NCCCN[C@@H](C)c1cnccn1 1156847696 FRORXUSQVBPTTQ-LBPRGKRZSA-N 303.366 -0.227 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)[C@H]2CCCNC2=O)C1=O 1160433433 MODJPTGGOCLFBA-QWHCGFSZSA-N 322.409 -0.605 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)c1coc(OCC)n1 1161844019 ROAURPYDUWMYJR-NSHDSACASA-N 322.365 -0.079 30 20 DBED C=CCNC(=O)CNCC1(CCNC(=O)c2nnn(C)n2)CC1 1166662334 APUQNFDLPPYCQR-UHFFFAOYSA-N 321.385 -0.998 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@H]1CCc2nc[nH]c2C1 1170432529 USJPKBHTWHRNGW-LBPRGKRZSA-N 317.393 -0.640 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)CNC(=O)CCC)C[C@@H]21 1176943954 RWZHYSBEMSJMOV-UONOGXRCSA-N 307.394 -0.162 30 20 DBED CCN1CCCC[C@@H]1C(=O)NCCCNCC(=O)NCC#N 1176986223 IAJHRIZZRFPJOD-CYBMUJFWSA-N 309.414 -0.404 30 20 DBED C[C@@H](OCC1CC1)C(=O)N1CC[C@@H](NCC(=O)NCC#N)C1 1181444287 WAYOTICZZDLMOS-DGCLKSJQSA-N 308.382 -0.368 30 20 DBED C=CCOCC(=O)N1CC[C@@H](NCC(=O)NC(=O)NC2CC2)C1 1181644828 ZRBGDZULTVNJEO-GFCCVEGCSA-N 324.381 -0.632 30 20 DBED C#CCNC[C@]1(C)CN(C(=O)CCNC(=O)COC)C[C@H]1C 1181659348 UGRUMAZMHXBTAF-CZUORRHYSA-N 309.410 -0.154 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)CC[C@H]2CCCN2C)C1 1183389256 CEDNAGGZQQOOPT-HUUCEWRRSA-N 320.437 -0.199 30 20 DBED CC(=O)CCCC(=O)N1CC[C@H]2CN(CC(=O)NCC#N)C[C@H]21 1186845416 SLUYMLNFMSFUGR-UONOGXRCSA-N 320.393 -0.082 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)COCC3CC3)[C@@H]2C1 1187002731 VSTAUGWXBWKLJN-LSDHHAIUSA-N 319.405 -0.305 30 20 DBED C=CCOCCN1C[C@@H]2CCN(C(=O)[C@H](C)NC(N)=O)[C@@H]2C1 1187690200 GLTLGABLXDLPAS-RWMBFGLXSA-N 310.398 -0.222 30 20 DBED CCN(CCC#N)C(=O)CN(C)[C@@H]1CCN(C(=O)CC(N)=O)C1 1189490458 VITZANSEVSUGNU-GFCCVEGCSA-N 323.397 -0.843 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)C[C@H](C)COC)[C@@H]2C1 1189605773 XRKGAFYTVCRGQU-SOUVJXGZSA-N 321.421 -0.059 30 20 DBED CN(CC(=O)NCC#N)[C@H]1CCN(C(=O)C2CCC(O)CC2)C1 1189882432 HZTJWHPJIWNPJX-MOKVOYLWSA-N 322.409 -0.290 30 20 DBED C=CCCO[C@H](C)C(=O)N[C@@H]1CN(Cc2n[nH]c(C)n2)C[C@H]1O 1191614898 QICSLMFRNFHKNF-RAIGVLPGSA-N 323.397 -0.244 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)[C@H]2OCC[C@H]2C)C1 1192417171 RZMDTLCMRSSMHY-NFAWXSAZSA-N 307.394 -0.307 30 20 DBED CN(CC(=O)NCC#N)[C@@H]1CCN(C(=O)C2(C)CCOCC2)C1 1192868401 WONUFUJTYGHQHE-CYBMUJFWSA-N 322.409 -0.024 30 20 DBED C=CCNC(=O)[C@@H](C)N(C)[C@@H]1CCN(C(=O)Cc2nc[nH]n2)C1 1193374553 WGHAGVFNKGGXLG-VXGBXAGGSA-N 320.397 -0.429 30 20 DBED C[C@H](C#N)C(=O)N1CCC(NCC(=O)NC[C@H]2CCOC2)CC1 1199816226 HMCHPPXWDQXFMB-CHWSQXEVSA-N 322.409 -0.121 30 20 DBED C[C@H](C#N)C(=O)N1CCCO[C@@H](CNCCN2CCNC2=O)C1 1200114224 BLGDYSVKLDMRDC-OLZOCXBDSA-N 323.397 -0.622 30 20 DBED C#CCN[C@@H]1C[C@H](NC(=O)CCn2ncn(C)c2=O)C12CCC2 1203221646 LMWAKVSDWSQVTK-OLZOCXBDSA-N 317.393 -0.378 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)C[C@@H]2CCN(C)C2)CC1 1203337277 GGDKDVUZMVEFSO-AWEZNQCLSA-N 320.437 -0.342 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)c2ccon2)CC1 1204629886 ICIHRQPDNXUKKX-UHFFFAOYSA-N 304.350 -0.134 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)CN2CCCC2=O)C1 1207251710 NVRGAQVIXIPOKK-ZDUSSCGKSA-N 322.409 -0.508 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@@H](CC)NC(C)=O)C1 1209756254 UIXPTXFGHSXFOK-ZIAGYGMSSA-N 322.409 -0.769 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCCN(C(=O)c2ccn(C)n2)C1 1211082925 ZWYALTDWWWQYKN-STQMWFEESA-N 317.393 -0.248 30 20 DBED N#CCN[C@H]1CCCN(C(=O)CNC(=O)c2ccccn2)C1 1211223761 ASVDQRZWSLAGCB-LBPRGKRZSA-N 301.350 -0.084 30 20 DBED C=CCOCCN1C[C@@H](NC(=O)Cn2nccn2)[C@H](OC)C1 1212329774 BVWOIDRJWLLOJR-CHWSQXEVSA-N 309.370 -0.704 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H](C)NC(=O)CC 1217987578 PBOJLYNBJVNFQP-HZSPNIEDSA-N 307.394 -0.164 30 20 DBED C=C(C)CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CNC(=O)NC 1218075837 YGCFDLZMICCPPS-QWHCGFSZSA-N 310.398 -0.207 30 20 DBED CC[C@@H](F)C(=O)N1CCO[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1218428683 HCUGCUGDSXIPRC-GRYCIOLGSA-N 312.345 -0.714 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CCCCC(=O)NC 1219062157 GVLKCNUGLJQUKO-UONOGXRCSA-N 307.394 -0.162 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2nocc2C)C[C@@H]1O 1219611840 MGASKRFKZCOVLC-KGLIPLIRSA-N 307.350 -0.316 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C[C@H]2CC=CCC2)C1 1220139629 QRCMNEMFAGHZSM-ZNMIVQPWSA-N 319.405 -0.357 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)CCc2nc(C3CC3)no2)C1 1220504423 BLIUGQNAURPDFI-NEPJUHHUSA-N 304.350 -0.326 30 20 DBED COCC#CCN1CC[C@@H]2CN(C(=O)[C@@H]3COC(=O)N3)[C@@H]2C1 1221517944 ORHJXROHWVSDIE-FRRDWIJNSA-N 307.350 -0.723 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)[C@H]2OCCO[C@H]2C)CC1 1227860702 RCYBEWSHFNOPAE-WFASDCNBSA-N 323.393 -0.880 30 20 DBED C[C@@H]1CCN(CC(=O)NC2CCN(CC(=O)NCC#N)CC2)C1 1229185950 QTOLJRWLSMUVTA-CYBMUJFWSA-N 321.425 -0.451 30 20 DBED C#CCN1CCS(=O)(=O)[C@H](CCNC(=O)c2ccncn2)C1 1230512915 YNONVXDAAMZMIX-GFCCVEGCSA-N 322.390 -0.671 30 20 DBED C=CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)[C@H]1COCCO1 1230823243 GMCJAHXOONYASG-CHWSQXEVSA-N 311.382 -0.763 30 20 DBED CNC(=O)NCCC(=O)N(C)C[C@@H]1CCN1CC#CCOC 1234111196 IJDPPDFJZSIJQR-ZDUSSCGKSA-N 310.398 -0.512 30 20 DBED C=CCN(C(=O)C(=O)c1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1318199112 GSBWSSTYXRCPTH-LLVKDONJSA-N 311.363 -0.196 30 20 DBED CN(C)C(=O)CNC(=O)C(=O)NCc1ccc(OCC#N)cc1 1322454687 INYWQOAWAMJHFQ-UHFFFAOYSA-N 318.333 -0.590 30 20 DBED CO[C@@H](CNC(=O)C(=O)N1CCO[C@H](C#N)C1)C(F)(F)F 1323044001 NDJPFHPWRDQSTP-SFYZADRCSA-N 309.244 -0.569 30 20 DBED C#CCC[C@H](O)CNC(=O)NC[C@@H]1CCCS(=O)(=O)C1 1323886386 UUIQKHABURVFDS-RYUDHWBXSA-N 302.396 -0.115 30 20 DBED CN(C)C(=O)NCCNC(=O)C(=O)Nc1ccc(C#N)cn1 1324288192 HFWXCVDHPFQJCT-UHFFFAOYSA-N 304.310 -0.721 30 20 DBED CCC(O)(CC)CCNC(=O)C(=O)N1CC[C@](O)(CC#N)C1 1326905659 AMOBFCFTRHNLEE-OAHLLOKOSA-N 311.382 -0.079 30 20 DBED C#CCCCCNC(=O)C(=O)N[C@H]1CCN(C(=O)NCC)C1 1327261656 LSCZGIYYTIJPIL-LBPRGKRZSA-N 308.382 -0.174 30 20 DBED C=CC[C@H]1CCCN(C(=O)C(=O)NCCN2C(=O)CNC2=O)C1 1327984816 BGWJBMVYYKGAPE-NSHDSACASA-N 322.365 -0.531 30 20 DBED C#CCn1cc(CNC(=O)[C@H](NC(=O)C2CC2)[C@@H](C)O)cn1 1328677310 YWVOIGANQSOQEH-ZWNOBZJWSA-N 304.350 -0.592 30 20 DBED CN(CC(=O)N1CCOCC1)C(=O)C(=O)N1CCC[C@H](C#N)C1 1336293887 UOHCWOJZXLFZEN-GFCCVEGCSA-N 322.365 -0.934 30 20 DBED C#CCN1CCN(c2nnc([C@@H](O)COC)n2CCOC)CC1 1341742249 FYUDOLKKCBUGOF-ZDUSSCGKSA-N 323.397 -0.641 30 20 DBED C#CC[C@H]1NC(=O)N(CCS(=O)(=O)C2CCOCC2)C1=O 1354269954 KTUPGUCCRWHROC-LLVKDONJSA-N 314.363 -0.476 30 20 DBED CC(C)(C)C[C@H](O)CNC(=O)Cn1cc(C#N)c(O)nc1=O 1362164189 XYMQFLRNXDZKFP-JTQLQIEISA-N 308.338 -0.266 30 20 DBED CS(=O)(=O)C1(C(=O)N2CC[C@](O)(CC#N)C2)CCOCC1 1362596266 RFQWHPYYLHLUSO-GFCCVEGCSA-N 316.379 -0.543 30 20 DBED CN(CCS(N)(=O)=O)CC(=O)NCc1ccc(C#N)cc1 1363298327 OEEDDKBIEYGNEY-UHFFFAOYSA-N 310.379 -0.605 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N[C@@H]1CCc2nnnn2CC1 1364885723 GVUIDYGTIXUQDR-NXEZZACHSA-N 313.387 -0.554 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@@H]1CCN(C(=O)c2cnn(C)c2N)C1 1372076316 KTKPKZZSRZCPSU-VHSXEESVSA-N 304.354 -0.165 30 20 DBED C[C@H](CNC(=O)[C@H](C)C#N)NC(=O)CCn1cnccc1=O 1373075763 UCHIFYABUPRFOR-GHMZBOCLSA-N 305.338 -0.586 30 20 DBED C[C@@H](C#N)C(=O)N(C)CC1CCN(C(=O)CCNC(N)=O)CC1 1374505931 QBORGSOYRKEFQJ-NSHDSACASA-N 323.397 -0.099 30 20 DBED C[C@H](C#N)C(=O)N1CCN(CCNC(=O)[C@H]2CCOC2)CC1 1385549627 QHRXNQGLHKDPSG-OLZOCXBDSA-N 308.382 -0.557 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](C)CNC(=O)c1ccoc1CC(N)=O 1391331539 NTMFOQXBEURGFV-ZJUUUORDSA-N 320.349 -0.051 30 20 DBED CCN1CCOC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H](C)C#N)C1 1396532421 PITYPPSUECKIJW-FQUUOJAGSA-N 322.409 -0.122 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CCN(C(=O)CCCn2cncn2)C1 1396763101 DDJCGJMOGQSIHM-NWDGAFQWSA-N 304.354 -0.065 30 20 DBED CC(C)[C@H](CCN(C)C(=O)Cn1ncnn1)NC(=O)[C@@H](C)C#N 1404569943 STERXXYMQFGPLK-RYUDHWBXSA-N 321.385 -0.178 30 20 DBED N#Cc1ccccc1OCCN1C[C@H](C(N)=O)[C@@H](C(N)=O)C1 1414017522 PMZVSWRLTCYGGL-RYUDHWBXSA-N 302.334 -0.544 30 20 DBED N#Cc1cc(F)c(S(=O)(=O)N2CC(C(N)=O)C2)c(F)c1 1414319990 ATBIVOTZNMZEJE-UHFFFAOYSA-N 301.274 -0.058 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCC(CO)(CO)CC1 1424598297 NIRXNCQCAXRIJV-LBPRGKRZSA-N 319.427 -0.220 30 20 DBED C[C@@H](C#N)C(=O)NCCN1CCN(C(=O)[C@H]2CCOC2)CC1 1429798486 NJYPHRGYPLEKHR-STQMWFEESA-N 308.382 -0.557 30 20 DBED COc1ccc(CC(=O)NC[C@H](O)CNC(=O)[C@H](C)C#N)nc1 1431566248 KMMNRHQEFWVVCC-PWSUYJOCSA-N 320.349 -0.614 30 20 DBED C=C(Cl)CN1CC(O)(CNC(=O)CN2CCCC2=O)C1 1446831120 XRHZNWJTBXFMPE-UHFFFAOYSA-N 301.774 -0.476 30 20 DBED C[C@H](CNC(=O)COCc1ccnn1C)CNC(=O)[C@H](C)C#N 1451602696 MITOPAKZFZXSFS-VXGBXAGGSA-N 321.381 -0.035 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)CNC(=O)N2CCCC2)CC1 1453533671 ACQHHZHMIKYIMG-LLVKDONJSA-N 321.381 -0.284 30 20 DBED CCN(C(=O)CCNC(N)=O)[C@H]1CCN(C(=O)[C@H](C)C#N)C1 1456652660 AVZBYQDSTQZDRP-MNOVXSKESA-N 309.370 -0.346 30 20 DBED C=CCOCCCC(=O)N1CC[C@H](NCc2nnnn2C)C1 1480107781 KYOXDYMHLBARIP-LBPRGKRZSA-N 308.386 -0.117 30 20 DBED C[C@@H](CN(C)C(=O)c1cc(C#N)c[nH]1)NC(=O)c1cn(C)nn1 1487745264 XPWAXGBXDQJBRZ-VIFPVBQESA-N 315.337 -0.095 30 20 DBED C=C(Cl)CN(C)CCN(C)C(=O)CN1CCNC(=O)C1 1496756349 BMQCPOCNXYRGIQ-UHFFFAOYSA-N 302.806 -0.439 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CCCN1C(=O)[C@@H]1CCCN1C(N)=O 1531999360 TWNIEVRDAJROIF-UTUOFQBUSA-N 321.381 -0.204 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](C)CNC(=O)c1cnc2[nH]nnc2c1 1532274084 KNJAYRVXYIZWTC-BDAKNGLRSA-N 315.337 -0.005 30 20 DBED C=CCOC[C@H](NC(=O)C[C@H]1C=CS(=O)(=O)C1)C(=O)O 1588854011 NWCDYDTVKHQZDP-ZJUUUORDSA-N 303.336 -0.293 30 20 DBED COc1cc(-c2nn[nH]n2)ccc1OCC(=O)N[C@@H](C#N)CO 1591497530 CNUPGTAMSQNQIH-VIFPVBQESA-N 318.293 -0.745 30 20 DBED Cc1nn(CC(=O)NCCC#N)c(=O)c(-c2nn[nH]n2)c1C 1592438913 VIAGDTMVXGSWHD-UHFFFAOYSA-N 302.298 -0.930 30 20 DBED N#CCCN1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 1592678206 PKYSLSROMUSHQF-UHFFFAOYSA-N 300.326 -0.134 30 20 DBED N#Cc1cc(CNC(=O)Cn2cnc(-c3nn[nH]n3)n2)ccn1 1592688416 XYEIZSAZWRRGLY-UHFFFAOYSA-N 310.281 -0.959 30 20 DBED C#CC[C@H](NC(=O)[C@H](O)[C@@H](O)c1nc2ccccc2[nH]1)C(=O)O 1602684955 KKBVRQHNFPFJHZ-QJPTWQEYSA-N 317.301 -0.450 30 20 DBED C=CCC1(NC(=O)Cn2cnc(-c3nn[nH]n3)n2)CCOCC1 1602818084 AVTJZPKLNZKDOO-UHFFFAOYSA-N 318.341 -0.300 30 20 DBED CN(CCC#N)C[C@H](O)CNCc1nc(-c2nn[nH]n2)cs1 1604736775 YXHJPQRUVCVFJA-SECBINFHSA-N 322.398 -0.381 30 20 DBED C[C@H](C(=O)N1C[C@H]2COCC[C@@]2(C(=O)O)C1)n1cnc(C#N)n1 1609633880 RTZRNOBTXRZOGV-ISTVAULSSA-N 319.321 -0.340 30 20 DBED COCC[C@@](C)(C#N)NS(=O)(=O)c1cnn(CC(=O)O)c1 1610253646 FXYGPSLSPDSFOD-NSHDSACASA-N 316.339 -0.435 30 20 DBED COCC#CCNC[C@H]1CCCN1C(=O)CCc1cn(C)nn1 1733355001 SZROTLHKLOLJCI-OAHLLOKOSA-N 319.409 -0.022 30 20 DBED C#CCNC(=O)CN(CCCNC(=O)[C@@]12COC[C@@H]1C2)C1CC1 1752259755 MEZDAAZJFKTMBP-GUYCJALGSA-N 319.405 -0.257 30 20 DBED C#CCN1CCC[C@H]([C@@H](C)NC(=O)CS(=O)(=O)N(C)C)C1 1752839718 DIKLVAWMSGXXPS-OLZOCXBDSA-N 315.439 -0.272 30 20 DBED C=CCCNC[C@@H]1CCN(C(=O)CCS(=O)(=O)NC)C1 1752938214 GNMPWFQTMKHHST-LBPRGKRZSA-N 303.428 -0.060 30 20 DBED C#CCNC(=O)CNC[C@@H]1CCN(C(=O)C2CC(OC)C2)C1 1752939983 DTTCRCXAECBUOM-HSBZDZAISA-N 307.394 -0.401 30 20 DBED C=CCCN1CCN(CCN(C)C(=O)[C@H](C)NC(N)=O)CC1 1753342696 YYPPPJPGMRHFGQ-ZDUSSCGKSA-N 311.430 -0.305 30 20 DBED CCN(CCN[C@@H](C)C(=O)NC(=O)NC)C(=O)C#CC(C)C 1754043710 AAFQUWDYLWVLFP-LBPRGKRZSA-N 310.398 -0.072 30 20 DBED C#CCNC(=O)CNC[C@H](C)NC(=O)C(C)(C)c1cnc[nH]1 1754291175 YUZHWDPOKWGALC-NSHDSACASA-N 305.382 -0.469 30 20 DBED C#CCCCC(=O)N1CCO[C@@H](CNCc2nnnn2C)C1 1754999337 GOTOEJYCCYTYBQ-LBPRGKRZSA-N 306.370 -0.669 30 20 DBED CC[C@@]1(C(=O)N2CCC(O)(CNCC#N)CC2)CCNC1=O 1755150916 LGOCGYGNKMUGAH-OAHLLOKOSA-N 308.382 -0.631 30 20 DBED C=CCCNC[C@H]1C[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 1755479665 VSVNMQRURGVQEI-HAQNSBGRSA-N 320.393 -0.242 30 20 DBED COCC#CCNC[C@H]1C[C@H](NC(=O)c2c[nH]c(C(N)=O)c2)C1 1755483864 YZMBNGNWJGKGNP-AULYBMBSSA-N 318.377 -0.139 30 20 DBED C[C@H](C(=O)N(C)C[C@H](O)CNCC(=O)NCC#N)n1cccc1 1755777323 KZTWWVTVKMRKLJ-CHWSQXEVSA-N 321.381 -0.902 30 20 DBED CN(C[C@@H](O)CNCC#N)C(=O)c1nc[nH]c1C(F)(F)F 1755782524 XGIIFKPXWDDDGL-ZETCQYMHSA-N 305.260 -0.025 30 20 DBED C=C[C@](C)(O)CC(=O)N(C)C[C@@H](O)CN(C)C(=O)c1cn[nH]c1 1756682854 DUODKFGLRYUGGK-DOMZBBRYSA-N 324.381 -0.372 30 20 DBED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3CN(C)C3)C[C@@H]21 1790794731 JXUVIUXAEFHCJM-UBHSHLNASA-N 305.378 -0.839 30 20 DBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C)COC1)CCO2 1830037088 VYXLSOUMJFLIAI-INIZCTEOSA-N 322.361 -0.888 30 20 DBED C#CCNC(=O)COC(=O)c1ccc(NS(C)(=O)=O)cc1 12992375 URBLFVXSUXXSTF-UHFFFAOYSA-N 310.331 -0.036 30 20 DBED CN(CCC#N)S(=O)(=O)N1CCN(c2ncccn2)CC1 28083044 SQZMOMHOQIGPRP-UHFFFAOYSA-N 310.383 -0.311 30 20 DBED COC(=O)[C@@H](CO)NS(=O)(=O)c1cccc(F)c1C#N 70394726 GGZCVBRLJNENIN-SECBINFHSA-N 302.283 -0.490 30 20 DBED N#Cc1ncccc1S(=O)(=O)N[C@H]1CCCS(=O)(=O)C1 236412628 HMPKQMRHAVSEHT-VIFPVBQESA-N 315.376 -0.191 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](CCC)C(=O)O)C1=O 262374505 MUADCDPMLNLYBV-MRVPVSSYSA-N 311.294 -0.667 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H](OC)C(C)C)C1=O 266698278 PBKKNJBIYLGVNM-JTQLQIEISA-N 311.338 -0.250 30 20 DBED CN(C[C@H](O)CO)C(=O)C(=O)Nc1cc(C#N)ccc1Cl 275850817 HEWUVYZVLGXCMZ-VIFPVBQESA-N 311.725 -0.038 30 20 DBED CC(C)(C#N)C(=O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 277607897 WGCNXTBOCZNVIK-UHFFFAOYSA-N 311.367 -0.208 30 20 DBED C=CCCOCCNC(=O)C(=O)NCCCN1CCCC1=O 283389907 XFTXNVLDEWWCMU-UHFFFAOYSA-N 311.382 -0.176 30 20 DBED CN1C[C@@H](NC(=O)C(=O)Nc2ccc(C#N)c(F)c2)CC1=O 290785979 MCVBNTHIDBDBII-JTQLQIEISA-N 304.281 -0.017 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(c2ccc(C(N)=O)cn2)CC1 298774080 UVWIEIQWOZPALS-GFCCVEGCSA-N 317.393 -0.007 30 20 DBED CC/N=C(/O)N1CCN(C(=O)[C@@H]2CC[C@H](C(=O)OC)O2)CC1 331145688 SERMKLUTWWUWTB-WDEREUQCSA-N 313.354 -0.215 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N(CCO)C1CCOCC1 337132813 AODDNDNOIUGLSJ-LLVKDONJSA-N 305.400 -0.204 30 20 DBED C=CCOCCN[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 339035977 BIVVLFCMKSVLHO-QWHCGFSZSA-N 304.412 -0.724 30 20 DBED C=CCCOCCNC(=O)C(=O)N[C@@H]1CCC[C@@H]1C(=O)NC 342002469 KEINUUOZWZTBKM-NWDGAFQWSA-N 311.382 -0.274 30 20 DBED N#CCNC(=O)CNC(=O)[C@H]1CCN(c2ccc(F)cc2)C1=O 344170982 CWIDRMARWHTHTN-GFCCVEGCSA-N 318.308 -0.065 30 20 DBED COC(=O)[C@@H](O)CNC(=O)COc1ccc(C#N)cc1OC 345199477 IUKMKUDBHWTTMU-JTQLQIEISA-N 308.290 -0.404 30 20 DBED N#Cc1ccnc(NC[C@H]2CS(=O)(=O)CCO2)c1[N+](=O)[O-] 351510131 OQQXRHVIBASAGF-VIFPVBQESA-N 312.307 0.087 30 20 DBED COC(=O)[C@H](NC(=O)Cn1c(N)nc(C#N)c1C#N)C(C)C 351560862 TWZWMZMFOHJMCI-LLVKDONJSA-N 304.310 -0.478 30 20 DBED N#Cc1ccccc1S(=O)(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 352955464 WCHUBQDOGSXEHU-JTQLQIEISA-N 320.330 -0.517 30 20 DBED N#CCNC(=O)CNC(=O)NC[C@@H](O)CCc1ccccc1 358279181 RWGDDUYJXGYAHZ-ZDUSSCGKSA-N 304.350 -0.081 30 20 DBED Cn1cc([C@@H]2CSCCN2C(=O)NCC(=O)NCC#N)cn1 358314531 OZNZFGLUWBUHEE-NSHDSACASA-N 322.394 -0.141 30 20 DBED CC(=O)NCC(=O)NCC(=O)NCc1cc(C#N)ccc1F 361882159 AKUYQFGLLOMFBR-UHFFFAOYSA-N 306.297 -0.434 30 20 DBED C=CCNC(=O)[C@H](C)N1CCC(O)(CN2CCOCC2)CC1 374996932 ILIKDQAVVMAGFZ-AWEZNQCLSA-N 311.426 -0.164 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@@H]1CCS(=O)(=O)C1 407950583 AMNBQPYEUMVZRJ-VHSXEESVSA-N 309.413 -0.511 30 20 DBED CC(=O)N1CCCN(S(=O)(=O)N(C)C[C@H](C)C#N)CC1 407955410 REUCMXHLFGYESL-LLVKDONJSA-N 302.400 -0.123 30 20 DBED N#C[C@H]1COCCN1S(=O)(=O)CCCN1CCOCC1 408242353 SRUFXVNOFYQJSA-LBPRGKRZSA-N 303.384 -0.737 30 20 DBED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N(C)CCOCCO 430418925 YNDYWMCIZQCJMD-QWHCGFSZSA-N 314.382 -0.449 30 20 DBED C#CCN1CCN(C(=O)CN[C@@H](COC)[C@@H]2CCCO2)CC1 491567399 KVTMFBSZVSJATA-GJZGRUSLSA-N 309.410 -0.453 30 20 DBED COC(=O)COc1ccc(C(=O)NCC(=O)NCC#N)cc1 561470083 FDFQCRPQIRGKHL-UHFFFAOYSA-N 305.290 -0.392 30 20 DBED CN(C)[C@@H]1CCCN(S(=O)(=O)N2CCO[C@H](C#N)C2)CC1 568962321 DAKZEBUGVJTOFQ-CHWSQXEVSA-N 316.427 -0.128 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)NCCn1cc(C(=O)O)nn1 572411245 IJNUULCAPKABSC-MRVPVSSYSA-N 316.343 -0.955 30 20 DBED CN(C)C[C@](C)(C#N)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O 578413715 HEMIDFXGIHQLIU-ZDUSSCGKSA-N 307.310 -0.283 30 20 DBED CN(C)C(=O)CN1CCN(C(=O)c2cccc(C#N)n2)CC1 589257035 FQLQWZPPSZOKFK-UHFFFAOYSA-N 301.350 -0.201 30 20 DBED C=CCNC(=O)NC(=O)CN1CC[C@@H](CN2CCCC2=O)C1 595833951 WPJNCIPCGFXDHN-GFCCVEGCSA-N 308.382 -0.058 30 20 DBED C=CCOCCNC(=O)C(=O)c1cc(S(N)(=O)=O)cn1C 613363991 MVXHFERRWULXTE-UHFFFAOYSA-N 315.351 -0.826 30 20 DBED N#CCC1(O)CN(C(=O)CCn2nc3ccccn3c2=O)C1 615917606 FSEKYPKEEXENJI-UHFFFAOYSA-N 301.306 -0.627 30 20 DBED CC#CC[C@@H](CO)NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 627977467 PYVUBWFRTHSOAQ-RYUDHWBXSA-N 302.396 -0.452 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)nn1 648291644 ADMVUXGWDSMDGW-LLVKDONJSA-N 315.337 -0.267 30 20 DBED CC#CC[C@@H](CO)NC(=O)[C@H](CO)NC(=O)c1ccc(F)cc1 652494997 IBFYSVXIASBMNM-KBPBESRZSA-N 322.336 -0.193 30 20 DBED C=C[C@@](C)(O)C(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 665457415 DTCVRGWDJFTEIU-DGCLKSJQSA-N 302.396 -0.745 30 20 DBED O=C(Cn1cccn1)NCC#CCNC(=O)Cn1cccn1 680339695 KLBTWIKQCSTUMV-UHFFFAOYSA-N 300.322 -0.984 30 20 DBED C#CCN1CCC(C(=O)O[C@H](C)C(=O)N2CCNC2=O)CC1 735938158 TZFCECUCJHZFPR-LLVKDONJSA-N 307.350 -0.185 30 20 DBED N#Cc1ccc([C@@H](OC(=O)CN2CC(=O)NC2=O)C(=O)O)cc1 739107885 CIEXSVLQGXENEU-GFCCVEGCSA-N 317.257 -0.221 30 20 DBED COC[C@@H](C#N)OC(=O)c1cc(S(=O)(=O)N(C)C)cn1C 751605079 RHKGGADKYZQIMO-SECBINFHSA-N 315.351 -0.029 30 20 DBED CCN1CCN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)CC1=O 756740324 QRKRWWFGAAIAPA-CCEZHUSRSA-N 320.349 -0.406 30 20 DBED C[C@H](C#N)COC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 770930014 OKWMVENDZBAAAY-SECBINFHSA-N 319.321 -0.473 30 20 DBED C#C[C@H](NC(=O)C(=O)Nc1cc(C)cn(C)c1=O)[C@H]1CCCO1 773793917 GWCPWAIVENSMBY-WCQYABFASA-N 317.345 -0.071 30 20 DBED C#CCOCCNC(=O)c1cc(S(N)(=O)=O)ccc1OC 784767960 HRNQIEGVJBUULE-UHFFFAOYSA-N 312.347 -0.278 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@H](C)CN1CCOCC1)[C@@H]1CCCO1 787758188 NECXYXXNXJBYIE-RDBSUJKOSA-N 323.393 -0.880 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)[C@@H]1CCC[C@H](C(N)=O)C1 787825402 QBMYAWUBSPTOOG-VHSXEESVSA-N 311.338 -0.167 30 20 DBED C#CCNC(=O)COC(=O)C1=C(C)N(C)c2ncnn2[C@H]1C 791463788 CIPCXBGNKLBPJZ-JTQLQIEISA-N 303.322 -0.145 30 20 DBED C#C[C@H](NC(=O)C(=O)NCCOc1cccnc1)[C@@H]1CCCO1 804075854 KHCVXNCJYHXZOZ-KBPBESRZSA-N 317.345 -0.126 30 20 DBED C#CCCCS(=O)(=O)N1CCNC(=O)[C@H]1CC(=O)OC 804940261 MSCGKOCILOLILK-SNVBAGLBSA-N 302.352 -0.907 30 20 DBED C#CCOCCNC(=O)NCc1ccccc1S(N)(=O)=O 807104361 CAEVRCOQVAMQRM-UHFFFAOYSA-N 311.363 -0.217 30 20 DBED C#C[C@@H](NC(=O)C(=O)N(C)CCNC(=O)N(C)C)[C@@H]1CCCO1 809312171 LKJHJMWHHHCGLY-NEPJUHHUSA-N 324.381 -0.987 30 20 DBED C#CCNC(=O)c1ccccc1NC(=O)[C@@H]1CCS(=O)(=O)N1 845309217 KCVWVARYSOALKF-LBPRGKRZSA-N 321.358 -0.320 30 20 DBED CC1=C(C(=O)N[C@@H]2CCCN(O)C2=O)[C@@H](C)n2nnnc2N1C 848132147 OPBZCLSUWUAMJU-RKDXNWHRSA-N 321.341 -0.546 30 20 DBED CO[C@](C)(C(=O)O)C(=O)NS(=O)(=O)c1ccc(C#N)cc1 863952507 ZEGHXTWIMSMNFB-LBPRGKRZSA-N 312.303 -0.147 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2[C@H]3CCC(=O)[C@@H]32)CC1 906581298 WHSBKRFFDSEQRN-APHBMKBZSA-N 317.389 -0.505 30 20 DBED CCN(C[C@H](C)C#N)C(=O)COC(=O)[C@H](C)S(C)(=O)=O 919350484 ZIRPCSHSCOCOKZ-ZJUUUORDSA-N 304.368 -0.029 30 20 DBED CCN1CCC[C@@H](NS(=O)(=O)N(C)C[C@H](C)C#N)C1=O 921490317 FJVDZDANMRWVLL-GHMZBOCLSA-N 302.400 -0.077 30 20 DBED C#CCNC(=O)CN1CCN(Cc2noc3c2COCC3)CC1 929511580 PMODECSJBOHSEB-UHFFFAOYSA-N 318.377 -0.386 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)NCCO[C@@H]1CCOC1 931093998 NAXYDDSFEJPYHQ-CHWSQXEVSA-N 312.366 -0.547 30 20 DBED CN1CCOC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)C#CC2CC2)C1 937347555 NKAPSAIKZCKTSS-GJZGRUSLSA-N 319.405 -0.210 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)c2cccc(=O)n2C)C1 938706942 JXUOMTQPBUEEPM-QWRGUYRKSA-N 302.334 -0.124 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](NC(=O)c2cccn(C)c2=O)C1 941873550 WCUKTTOPQGEISA-GHMZBOCLSA-N 302.334 -0.124 30 20 DBED O=C(N[C@H]1[C@H]2C[C@H]1N(C(=O)C#CC1CC1)C2)c1cnnc(O)c1 947333109 QQDHGIMZZZZMJA-ZOWXZIJZSA-N 312.329 -0.075 30 20 DBED C#CCCN1CC[C@@H](NC(=O)Cn2ccc(O)nc2=O)C[C@H]1C 947511147 OALNTGLNIHHDLI-CHWSQXEVSA-N 318.377 -0.059 30 20 DBED N#CCN1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CNC(=O)N1 948952914 AHUIJPPPFNGTAG-KGLIPLIRSA-N 313.361 -0.093 30 20 DBED O=C(N[C@H]1CCCN(C(=O)C#CC2CC2)C1)[C@@H]1COCCO1 950752376 AISLJKBRPQCXFJ-KBPBESRZSA-N 306.362 -0.078 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(CC)C1CN([C@H]2CCNC2=O)C1 951785377 KYUNDXISSWSJLL-RDBSUJKOSA-N 307.394 -0.001 30 20 DBED CN(C(=O)[C@H]1CCCC(=O)N1)C1CN(C(=O)C#CC2CC2)C1 954533445 ONMIVMIZZGBJEV-CYBMUJFWSA-N 303.362 -0.262 30 20 DBED C[C@@H](C#N)C(=O)N1CC(N(C)C(=O)c2ccn(C)c(=O)c2)C1 954718942 HEPAYESPBOTWJM-JTQLQIEISA-N 302.334 -0.172 30 20 DBED C[C@H](C#N)C(=O)N1CCC(C)(NC(=O)[C@@H]2COC(=O)N2)CC1 956357569 WBVYRCBEGLPVHK-ZJUUUORDSA-N 308.338 -0.248 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1ccncn1 960820811 GJBXAMDLXPOXDP-KGYLQXTDSA-N 315.333 -0.312 30 20 DBED C=C(C)CN1C[C@H]2[C@H](NC(=O)Cn3nc(C)n(C)c3=O)[C@H]2C1 962430019 KVBWHWXKTJYRGO-IMRBUKKESA-N 305.382 -0.487 30 20 DBED Cc1nc(O)[nH]c1C(=O)NC[C@H]1COCCN1C(=O)[C@H](C)C#N 964234654 KTUOZGYCESASJZ-SCZZXKLOSA-N 321.337 -0.459 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)c1cccnn1 964328937 KOAIDIHINCDQCR-QWRGUYRKSA-N 303.322 -0.407 30 20 DBED CCN(C(=O)[C@H]1CCNC(=O)C1)C1CN(C(=O)[C@@H](C)C#N)C1 967871458 RXXMAYNGRNHBNC-QWRGUYRKSA-N 306.366 -0.268 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnn(C)c1N 968880693 XHAASHCQIKRXHV-GARJFASQSA-N 316.365 -0.023 30 20 DBED Cc1nc[nH]c1CC(=O)N[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1O 969412454 FTJPZHRMQZGLDY-FXAINCCUSA-N 305.338 -0.892 30 20 DBED C=CCn1cc(C(=O)N2C[C@H]3CC[C@H]2CN3[C@H](C)C(N)=O)nn1 971899197 FMXVFWHXWHHBOU-UTUOFQBUSA-N 318.381 -0.373 30 20 DBED CC(=O)N1CCC[C@H]1C(=O)N1CC[C@]2(CN(CC#N)CCO2)C1 972642264 GHKWMYFKMCJJIF-HOCLYGCPSA-N 320.393 -0.176 30 20 DBED C#Cc1cncc(C(=O)N[C@H]2C[C@H](NC(=O)Cc3nc[nH]n3)C2)c1 973545469 HQAZEOJNAXMYFN-JOCQHMNTSA-N 324.344 -0.199 30 20 DBED CC(=O)N1CCO[C@H](C(=O)N2CC3(CCCN(CC#N)C3)C2)C1 982135589 LVUWEPSQXZAYRT-AWEZNQCLSA-N 320.393 -0.318 30 20 DBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CCN(C(=O)C(N)=O)C1 983205171 NPDSNSHMCGFPQY-AGIUHOORSA-N 323.393 -0.192 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CCC[C@H](NC(=O)C(N)=O)C2)nc1 983672249 SRAUYVJKDOZIGR-NEPJUHHUSA-N 314.345 -0.295 30 20 DBED C#CCN1CCC[C@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)[C@@H]1C 994178004 YLGGAHMQAILFQL-RYUDHWBXSA-N 320.393 -0.081 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)c2nonc2C)C1 994942015 RPUYVQYYECXNRW-MNOVXSKESA-N 306.322 -0.090 30 20 DBED N#Cc1cc(C(=O)N2CC(NC(=O)C[C@@H]3CCC(=O)N3)C2)c[nH]1 995376156 BJFBDHHPADKQOQ-JTQLQIEISA-N 315.333 -0.504 30 20 DBED C#Cc1ccc(C(=O)N2CC(NC(=O)[C@@H]3[C@H]4COC[C@H]43)C2)cn1 997930113 KQIZVDMUKKEUKC-FICVDOATSA-N 311.341 -0.104 30 20 DBED N#Cc1c[nH]c(C(=O)NCC2CN(C(=O)C3(C(N)=O)CC3)C2)c1 1001356223 CIFSIJOCDAVLPN-UHFFFAOYSA-N 315.333 -0.660 30 20 DBED N#CCN1CCC[C@@H](NC(=O)C2(n3cnnn3)CCOCC2)C1 1008821514 SEAGLGWZEJMYOI-GFCCVEGCSA-N 319.369 -0.717 30 20 DBED N#Cc1cc(C(=O)N2CCN(C(=O)Cn3nccn3)CC2)c[nH]1 1011028217 TVZVHKRJASNAGG-UHFFFAOYSA-N 313.321 -0.538 30 20 DBED COc1ncc(C(=O)N2CCN(C(=O)[C@H](C)C#N)CC2)cn1 1012328406 YKZPNKDOJQMCDO-SNVBAGLBSA-N 303.322 -0.071 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NC1[C@H]2CN(C(=O)CC(N)=O)C[C@H]12 1013183636 UDMRFUPXSFYFOU-RHYQMDGZSA-N 321.377 -0.584 30 20 DBED C=CCN1CC[C@H](N2CC[C@H](NC(=O)Cc3ncc[nH]3)C2)C1=O 1015905709 RMUBNHPJNSDCIC-STQMWFEESA-N 317.393 -0.070 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CC23CCN(CC(N)=O)CC3)c1 1016561696 HJSOOQWUFWCKCK-GFCCVEGCSA-N 301.350 -0.044 30 20 DBED N#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CCC(=O)NC1=O 1018149103 GXEOPWOIQDPMIO-PHIMTYICSA-N 305.338 -0.873 30 20 DBED CC#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CCS(=O)(=O)N1 1018281922 KGUQWSCPBXNZOG-FRRDWIJNSA-N 311.407 -0.623 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCN(C(=O)[C@@H]3CCNC3=O)C2)C1 1019365241 WXKDCUBXJQMTGH-GHMZBOCLSA-N 304.350 -0.657 30 20 DBED CC#CCN1[C@H]2CC[C@H]1CC(NC(=O)CN1CCOCC1=O)C2 1021281311 YJEUFOMMVLUXAQ-GJZGRUSLSA-N 319.405 -0.020 30 20 DBED C#CCN1CC[C@@H]2[C@H](CCCN2C(=O)c2nnc(O)nc2O)C1 1021624836 ZFSMOQORTHYDOE-GHMZBOCLSA-N 317.349 -0.158 30 20 DBED C#CCN[C@@H]1CC[C@@H]2CN(C(=O)CN3CCN(C)C(=O)C3)C[C@H]21 1026298199 MVARUECACIBSKK-RBSFLKMASA-N 318.421 -0.780 30 20 DBED C=CCN[C@@H]1CC[C@H]2CN(C(=O)Cn3c(O)nnc3O)C[C@H]21 1026407674 RQFFLIZPROQGAW-HBNTYKKESA-N 307.354 -0.298 30 20 DBED C#CCCN1CCC[C@@H]1CNC(=O)[C@@H]1CN(C(C)=O)CCO1 1028295953 XABBZGFRJIUEAG-CABCVRRESA-N 307.394 -0.162 30 20 DBED C=CCN1CC[C@H](CNC(=O)[C@H]2CCN(C)S2(=O)=O)C1 1028862836 XTMDUULGWVDKRA-VXGBXAGGSA-N 301.412 -0.356 30 20 DBED Cc1nc2n(n1)C[C@H](C(=O)N1C[C@@H]3C[C@H]1CN3CC#N)CC2 1032535409 INPKFGINHXLZOT-AGIUHOORSA-N 300.366 -0.042 30 20 DBED Cc1nnc2n1C[C@@H](C(=O)NC[C@H]1CN(CC#N)CCO1)CC2 1035614733 QSDPDOAWGZDMPE-STQMWFEESA-N 318.381 -0.511 30 20 DBED C#CCCCC(=O)NC[C@@]1(O)CCN(C(=O)c2cccnn2)C1 1039572566 ABEBKIGFNDLLPF-INIZCTEOSA-N 316.361 -0.027 30 20 DBED C#CCCCC(=O)NC[C@]1(O)CCN(C(=O)[C@H]2CCC(=O)N2)C1 1039573988 MKPVWKYLPUATIK-MLGOLLRUSA-N 321.377 -0.852 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)CCc2cnc[nH]2)C1 1040143876 TXQXZCALOSETMN-NHYWBVRUSA-N 319.365 -0.418 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@@](O)(CNC(=O)c2cnn[nH]2)C1 1040268724 KKQMXJLCJQMNQC-CQSZACIVSA-N 307.354 -0.290 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)[C@H](C)NC(C)=O)C1 1041334406 BCYJOYSNEUXTED-NSHDSACASA-N 309.366 -0.996 30 20 DBED C[C@@H]1CN(c2nccnc2C#N)C[C@H]1NC(=O)[C@@H]1CCC(=O)N1 1042093292 IANPVPWYRLXEDW-JFGNBEQYSA-N 314.349 -0.432 30 20 DBED CC#CCN1CC[C@H]2CCN(C(=O)c3nnc(O)nc3O)C[C@@H]21 1042135390 VBPCYBCKPANEIR-QWRGUYRKSA-N 317.349 -0.158 30 20 DBED C=CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)c2cc(C)on2)C1 1043567781 GRQZIKPUOQYCAO-LLVKDONJSA-N 323.349 -0.123 30 20 DBED C[C@@]1(C(=O)N[C@@H]2CN(c3nccnc3C#N)C[C@@H]2O)CCOC1 1044144308 GLFDZMFEORIHEJ-TYNCELHUSA-N 317.349 -0.559 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)CCc2nc(C)no2)C1 1044341069 FQCMSCQNOTYSAD-UHFFFAOYSA-N 322.365 -0.034 30 20 DBED CC#CCCCC(=O)NCC1(O)CN(C(=O)[C@H]2CCNC2=O)C1 1045006783 HMVGIZIJVGITDS-LBPRGKRZSA-N 321.377 -0.994 30 20 DBED C=C(C)C[C@@H](C)C(=O)NCC1(O)CN(C(=O)Cn2nccn2)C1 1045059192 NVWFJTLQCLMTOC-GFCCVEGCSA-N 321.381 -0.430 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@@H]3C[C@@H]3C2)C1 1045085930 JLOKTLHCJAAPQR-MQYQWHSLSA-N 320.389 -0.240 30 20 DBED Cc1nc[nH]c1CC(=O)N1CC(O)(CNC(=O)[C@@H](C)C#N)C1 1045547198 WYJDVDVRGRQURP-VIFPVBQESA-N 305.338 -0.890 30 20 DBED Cc1ccc(CC(=O)N2CC(O)(CNC(=O)[C@H](C)C#N)C2)cn1 1045555523 SMGKMVYTDIXPOF-LLVKDONJSA-N 316.361 -0.218 30 20 DBED CN1CCO[C@H](C(=O)N2CCN([C@@H]3CCN(CC#N)C3)CC2)C1 1046014236 SAYYZILAXNILHP-CABCVRRESA-N 321.425 -0.941 30 20 DBED N#Cc1nc(=N[C@H]2C[C@H](CNC(=O)[C@H]3CCC(=O)N3)C2)cc[nH]1 1046753167 RZUZUBVDQDYWPL-GMTAPVOTSA-N 314.349 -0.645 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCO2)C1 1048166619 MOUPELCEMHZUMO-IHRRRGAJSA-N 308.378 -0.145 30 20 DBED C=CCN1C[C@H]2CN(C(=O)c3cc(=O)n4[nH]cnc4n3)C[C@H]2C1 1049170383 ORVLPQVGCXGLCE-PHIMTYICSA-N 314.349 -0.393 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1O 1049388270 IFGWKVLZXHSPRZ-ICCXJUOJSA-N 315.333 -0.310 30 20 DBED N#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)CN1CCCNC1=O 1049568162 SMAZMQTVVLQPIK-QWHCGFSZSA-N 305.382 -0.009 30 20 DBED C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[C@@H](C(N)=O)O1 1049724933 UYHGPRAVYFYBQG-RFQIPJPRSA-N 305.378 -0.282 30 20 DBED C#CCN1CCC(C(=O)NC[C@H]2COCCN2C[C@@H](C)O)CC1 1051256645 XUNWCYWRWLEZTQ-ZBFHGGJFSA-N 323.437 -0.471 30 20 DBED C=CCN1CC[C@H](NC[C@H]2CN(C(=O)C(F)F)CCO2)C1=O 1051380949 PONTXEKXYAMYQC-QWRGUYRKSA-N 317.336 -0.145 30 20 DBED CN1CC[C@@H](CC(=O)N2CCOC3(CN(CC#N)C3)C2)C1=O 1053298442 SWGPFEWRLMSDPL-LBPRGKRZSA-N 306.366 -0.708 30 20 DBED CC#CCN1CC2(CC[C@@H](CNC(=O)[C@H]3C[C@H]3C(N)=O)O2)C1 1053663097 GFJOVOYCRVUCKN-XQQFMLRXSA-N 305.378 -0.519 30 20 DBED C=C(C)CN1CC2(C[C@@H](NC(=O)Cn3cnnc3O)CO2)C1 1053780125 CBSIZIWGQPKULR-LLVKDONJSA-N 307.354 -0.481 30 20 DBED C=C[C@](C)(O)CC(=O)N(CCO)CCNC(=O)[C@@H](C)COC 1057449510 DGSLFKOBZCEVBQ-WFASDCNBSA-N 316.398 -0.467 30 20 DBED O=C(Cc1cncnc1)NCCN(CCO)C(=O)C#CC1CC1 1057531390 MEDRLHXOEIODCK-UHFFFAOYSA-N 316.361 -0.630 30 20 DBED N#Cc1cccnc1N1CCC[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 1058231945 WXGDYPRPKGELAU-RYUDHWBXSA-N 314.349 -0.280 30 20 DBED N#Cc1cnc(N2CC[C@H](NC(=O)[C@H]3CCC(=O)N3)C2)cn1 1058313703 XAKBUZJZUISALV-GXSJLCMTSA-N 300.322 -0.678 30 20 DBED Cc1cnn(C)c1C(=O)N(CCO)CCNC(=O)C#CC1CC1 1058430911 HSOMMZLPTFBWDX-UHFFFAOYSA-N 318.377 -0.307 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)[C@@H](C)n1cccn1 1058653038 KXUAQQPXMQZEBF-NWDGAFQWSA-N 307.354 -0.459 30 20 DBED C[C@@H](C#N)C(=O)NCC[C@@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1 1060252350 DTNBCGHHIKERJK-WDEREUQCSA-N 317.349 -0.102 30 20 DBED C=CCCC(=O)NC[C@@H]1COCCN1C(=O)[C@H]1CCNC1=O 1061402921 ZNQGTQCTDQRNPT-NEPJUHHUSA-N 309.366 -0.568 30 20 DBED C=CCOCC(=O)NCC1(NC(=O)[C@H](C)CC(N)=O)CCC1 1062704208 BDYDFQGDUCZSBS-LLVKDONJSA-N 311.382 -0.144 30 20 DBED CN(C(=O)[C@H]1CCNC1=O)[C@@H]1CCN(c2cncc(C#N)n2)C1 1063004161 ANHDRNIMQQBIRT-NEPJUHHUSA-N 314.349 -0.479 30 20 DBED CN(C(=O)[C@H]1C[C@H]1C(N)=O)[C@H]1CCN(c2ccnc(C#N)n2)C1 1063030671 VJENYDOQNDTBQI-AXFHLTTASA-N 314.349 -0.493 30 20 DBED N#Cc1cnc(N2CCO[C@@H](CNC(=O)[C@@H]3CCCO3)C2)cn1 1063605261 GDXMTMVNMFKEQB-STQMWFEESA-N 317.349 -0.151 30 20 DBED N#Cc1cncc(NC[C@@H]2CCCC[C@@H]2NC(=O)C(N)=O)n1 1064187986 JZTPDMVYWCMLKY-ONGXEEELSA-N 302.338 -0.080 30 20 DBED Cc1cc(C#N)nc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)c2cn(C)nn2)n1 1064242602 QVJTUXRIZSRPTI-JIMOISOXSA-N 324.348 -0.208 30 20 DBED C#CCNC(=O)CC(=O)N1CCO[C@H](CNC(=O)CCC)C1 1065063432 DRRMZKQKQVFEGU-GFCCVEGCSA-N 309.366 -0.730 30 20 DBED C=CCC(C)(C)C(=O)N1CCO[C@H](CNC(=O)CC(N)=O)C1 1065159327 PEJYZFYBRRJIRG-LLVKDONJSA-N 311.382 -0.192 30 20 DBED C[C@@]1(NC(=O)[C@H]2CNC(=O)N2)CCN(c2nccnc2C#N)C1 1065327405 XPVPWVXQRXXJHY-QMTHXVAHSA-N 315.337 -0.885 30 20 DBED CC(=O)NC(C)(C)C(=O)N1CCO[C@H](CNC(=O)[C@H](C)C#N)C1 1065349294 DRMVCJIVIMJXMS-ZYHUDNBSSA-N 324.381 -0.596 30 20 DBED C=CCO[C@H](C)C(=O)NC[C@H]1CN(C(=O)c2cnon2)CCO1 1065509968 JRZVGMCPPBCBHK-MNOVXSKESA-N 324.337 -0.382 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@H](CNC(=O)CCn2cccn2)C1 1065556869 KKDJIULVUMPWTC-QWHCGFSZSA-N 319.365 -0.224 30 20 DBED N#Cc1nc(=NC[C@H]2CN(C(=O)c3cnon3)CCO2)cc[nH]1 1066640357 TVWXWPPTJRPSPP-VIFPVBQESA-N 315.293 -0.894 30 20 DBED CCN(CC)CC(=O)N1CC2(C[C@H](NC(=O)[C@@H](C)C#N)CO2)C1 1069002713 HIFYMQCPDHTRQD-STQMWFEESA-N 322.409 -0.026 30 20 DBED Cc1nonc1C(=O)N1CC2(C[C@H](NC(=O)[C@@H](C)C#N)CO2)C1 1069009025 WWVXZUGFESKEDE-WPRPVWTQSA-N 319.321 -0.363 30 20 DBED C=C(C)CN1C[C@H](n2ccnn2)[C@H](NC(=O)c2[nH]nnc2C)C1 1069995697 UZTIDLRQDLZHOQ-NEPJUHHUSA-N 316.369 -0.064 30 20 DBED N#CCN[C@@H]1CN(C(=O)C2=CCOCC2)C[C@@H]1n1ccnn1 1070183114 PYYPQKIADWILHU-OLZOCXBDSA-N 302.338 -0.510 30 20 DBED N#CCSCC(=O)N[C@@H]1CCCN(C(=O)CNC(N)=O)C1 1070405557 UFJADBYAMXIBRJ-SECBINFHSA-N 313.383 -0.981 30 20 DBED N#CCN1C[C@@H](F)C[C@@H]1c1n[nH]c(CNC(=O)c2nc[nH]n2)n1 1070734996 VFKULQOEAQGODB-JGVFFNPUSA-N 319.304 -0.539 30 20 DBED C#CCCN1C[C@H]2C[C@@H]3CN(C(=O)[C@H]4COC(=O)N4)C[C@@]3(C1)O2 1070793279 DOOSWTUVKKSYOK-BRXULGCHSA-N 319.361 -0.580 30 20 DBED COCC(=O)N(C)CC(=O)N1CCC[C@@H](NC(=O)[C@@H](C)C#N)C1 1070853144 UXDMXESQTLJAJN-NWDGAFQWSA-N 324.381 -0.642 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CN(C(=O)C2(CF)CC2)C[C@@H]1C 1072709121 JDRGZYCTNYIJOM-RYUDHWBXSA-N 323.368 -0.161 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)c2cn(C)ccc2=O)C1 1073690709 FCGXXSPPGWTCBB-ZDUSSCGKSA-N 303.362 -0.161 30 20 DBED C=C(Cl)CN1CCCO[C@@H](CNC(=O)c2nnn(C)n2)C1 1073732188 JBLFEPLYQZBRRI-JTQLQIEISA-N 314.777 -0.217 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)c2cccc(=O)n2C)C1 1073760163 SQPKKBXHYMXXAC-ZDUSSCGKSA-N 303.362 -0.161 30 20 DBED CNC(=O)CN1CCO[C@@H]2CCN(C(=O)C#CC3CC3)C[C@H]21 1074235306 FTPOWGPDTZCPQO-ZIAGYGMSSA-N 305.378 -0.553 30 20 DBED N#CCN1CCO[C@H]2CCN(C(=O)CCc3cnn[nH]3)C[C@H]21 1074341032 OXGCKJVASVUEPU-OLZOCXBDSA-N 304.354 -0.437 30 20 DBED C#CCOCCC(=O)NCC1(O)CCN(C(=O)COC)CC1 1074418246 FDEVETPWBVPJGB-UHFFFAOYSA-N 312.366 -0.858 30 20 DBED C=CCOCC(=O)NCC[C@H](C)NC(=O)CS(=O)(=O)CC 1075920940 AHMOAPVPWVOLQV-NSHDSACASA-N 320.411 -0.365 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2cccc3c2oc(=O)n3C)C1 1077128977 NENPGCFIDSPGKS-DGCLKSJQSA-N 315.329 -0.460 30 20 DBED CCN(C(=O)C#CC(C)(C)C)C1CN(C(=O)c2nnn(C)n2)C1 1079745034 WAEJGBPYOKBXDF-UHFFFAOYSA-N 318.381 -0.068 30 20 DBED CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)c2cc(=O)n(C)cn2)C1 1080419910 JQYWXFVIGKLPAS-SNVBAGLBSA-N 317.349 -0.387 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CO)(NC(=O)C2=COCCO2)CC1 1080700932 WJLFXBYNEUXUTC-LLVKDONJSA-N 323.349 -0.496 30 20 DBED Cc1ncc(C(=O)NC2(CO)CCN(C(=O)[C@H](C)C#N)CC2)[nH]1 1080777109 HFWSHZZXOVFBTE-SNVBAGLBSA-N 319.365 -0.039 30 20 DBED C#CCC1(C(=O)N2C[C@H](CNC(C)=O)[C@@H](O)C2)CCOCC1 1081129469 UUUJYWLHMJFUPV-KBPBESRZSA-N 308.378 -0.238 30 20 DBED N#CCSCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cocn2)C1 1081341615 RYNQHANPTNEICH-GXSJLCMTSA-N 324.362 -0.520 30 20 DBED CNC(=O)CC(=O)NC[C@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1O 1081434100 QRODPLAQNHHQIX-NWDGAFQWSA-N 323.393 -0.893 30 20 DBED C=C(C)CCC(=O)NC[C@H]1CN(C(=O)CC(=O)NC)C[C@H]1O 1081531512 TZVJZQULONAEIC-NWDGAFQWSA-N 311.382 -0.586 30 20 DBED CC[C@H](C(N)=O)N1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@H](OC)C1 1081563212 DMGPSALPAGOORI-JHJVBQTASA-N 319.365 -0.421 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@H](CNC(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1081672177 UYOGUQKFNJDHPW-NJURLYQPSA-N 320.389 -0.526 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)C(=O)N2CCC[C@H]2CC)C1 1083929989 SLTONYZEIHLTEG-MCIONIFRSA-N 307.394 -0.428 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2cc3c(cn2)OCCC3)C1 1084003758 LPJNXWBLDWFHQC-KGLIPLIRSA-N 301.346 -0.185 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)[C@H]2CCC(=O)N(C)C2)C1 1084094040 LQOVOHJXZKIYCI-TUAOUCFPSA-N 315.801 -0.231 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CCN(CC(=O)N3CCOCC3)C[C@H]21 1084236924 VJVGXAFTULGEBL-BFHYXJOUSA-N 320.393 -0.462 30 20 DBED N#CCN[C@@H]1CCCC[C@H]1NC(=O)CN1CCCS1(=O)=O 1085217951 ZEYGHARVKMGSHI-VXGBXAGGSA-N 314.411 -0.438 30 20 DBED C=CCn1cc(C(=O)N(C)C[C@H]2CCN2[C@@H](C)C(=O)NC)nn1 1085861253 UJVOUQZPZZIDEE-NWDGAFQWSA-N 320.397 -0.255 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@H](N[C@H]2CCNC2=O)C1 1086482395 DALNFWZETNAEAM-POQQGIQPSA-N 307.394 -0.050 30 20 DBED CCN(c1ccnc(C#N)n1)[C@H](C)CNC(=O)Cn1ncnn1 1089698672 VRCCCHCNDTTYCW-SNVBAGLBSA-N 315.341 -0.634 30 20 DBED N#Cc1cnc(NCC2(CCNC(=O)CNC(N)=O)CC2)cn1 1089903366 QWAPZAJVFPWISN-UHFFFAOYSA-N 317.353 -0.285 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2ccnc3[nH]cnc23)[C@H](O)C1 1090300386 KSFKKWXYEMRYBB-GHMZBOCLSA-N 300.322 -0.354 30 20 DBED C#CCN1CC[C@H](NC(=O)Cn2ccc(C)cc2=O)[C@H](O)C1 1090610155 QGRBECBDUIWPAB-UONOGXRCSA-N 303.362 -0.659 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)[C@@H](O)C1 1090771078 NYLXYLDUDDHGCU-OLZOCXBDSA-N 323.397 -0.982 30 20 DBED C[C@H](CC(N)=O)C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1C 1090804728 YCFKSVRCQTXHRY-CKYFFXLPSA-N 316.365 -0.199 30 20 DBED C#CCN1CCC(C(=O)N[C@H]2CCN(CC#C)C[C@@H]2O)CC1 1090830901 QNRFBLGUUBGKNC-HOTGVXAUSA-N 303.406 -0.484 30 20 DBED COc1cc(C)nc(N2C[C@H](O)[C@H](NC(=O)[C@H](C)C#N)C2)n1 1091082864 LJXBPQSZQFLCRU-IEBDPFPHSA-N 305.338 -0.381 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CN(Cc3nc(O)n[nH]3)C[C@@]2(C)C1 1091543155 DGRCSDPGCAQLHE-RULNRJAQSA-N 304.354 -0.050 30 20 DBED C#CCN1C[C@@H]2CN(C(=O)CN3C(=O)CN(C)C3=O)C[C@]2(C)C1 1092260056 JIASXESRSYRLFM-WBMJQRKESA-N 318.377 -0.706 30 20 DBED CCc1nc(C#N)cc(N2C[C@@H]3C(NC(=O)CC(N)=O)[C@H]3C2)n1 1093228422 JCXNEENACWAMNZ-UWVGGRQHSA-N 314.349 -0.663 30 20 DBED CC(C)[C@@H](O)C(=O)NC1[C@@H]2CN(c3cnc(C#N)cn3)C[C@@H]12 1093260231 IBBMQHQJGNNBFV-JTNHKYCSSA-N 301.350 -0.084 30 20 DBED Cc1cc(C#N)nc(NCCNC(=O)C[C@H]2CCNC2=O)n1 1093921118 JIYXJCVXJUUWGY-SNVBAGLBSA-N 302.338 -0.289 30 20 DBED CCN1CCOC[C@@H]1C(=O)NCCN=c1cc[nH]cc1C#N 1093976802 FBPLVUSYPMMEMK-CQSZACIVSA-N 303.366 -0.376 30 20 DBED C[C@H]1C[C@@H](C(=O)NCCNc2ccc(C#N)nn2)CC(=O)N1 1093983150 SCARMYGHYBQTJE-VHSXEESVSA-N 302.338 -0.209 30 20 DBED Cc1cc(C#N)nc(NCCCNC(=O)[C@@H]2COCCO2)n1 1094329199 KACJRKOIIUJBNJ-LBPRGKRZSA-N 305.338 -0.010 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1 1094787954 LLJNXCUUHJJYJS-BNOWGMLFSA-N 318.377 -0.498 30 20 DBED COCCOCCC(=O)N1CC[C@@H](N=c2cc[nH]c(C#N)n2)C1 1095043621 AZCBAQQQMLXMDQ-GFCCVEGCSA-N 319.365 -0.164 30 20 DBED CC(=O)N[C@H](C)C(=O)N1CC[C@@H](N(C)c2nccnc2C#N)C1 1095089865 GQMALPPTGRKIQY-ZYHUDNBSSA-N 316.365 -0.090 30 20 DBED CNC(=O)NCC(=O)N1CCC[C@@H](Nc2cnc(C#N)cn2)C1 1095329897 DNMUDQQYDVGHBB-SNVBAGLBSA-N 317.353 -0.320 30 20 DBED CN(CCCNC(=O)Cn1cncn1)c1nccnc1C#N 1095556066 VWNKMUGMNVXDOK-UHFFFAOYSA-N 300.326 -0.418 30 20 DBED CSCC(=O)NCCN1CCN(c2cnc(C#N)cn2)CC1 1096264438 YQSXNABCQLDJBJ-UHFFFAOYSA-N 320.422 -0.051 30 20 DBED CCNC(=O)CC(=O)N[C@H]1CCN(c2ccc(C#N)nn2)C1 1096361217 XVJRIBBTJSIUDC-NSHDSACASA-N 302.338 -0.431 30 20 DBED CNC(=O)CC(=O)N1CCCC[C@H]1CN=c1cc[nH]c(C#N)n1 1097480585 GLKWHFOWRDPSDH-NSHDSACASA-N 316.365 -0.301 30 20 DBED Cc1cc(C#N)nc(N[C@@H](C)CNC(=O)[C@@H]2COCCN2C)n1 1097764631 JXHLWPDLUZVBHS-AAEUAGOBSA-N 318.381 -0.096 30 20 DBED CCS(=O)(=O)CC(=O)NC[C@@H](C)Nc1ccc(C#N)nn1 1097900334 MFQMPGXZAFFUHQ-SECBINFHSA-N 311.367 -0.300 30 20 DBED C#CCCN(CCO)C1CCN(C(=O)[C@]2(C)CNC(=O)C2)CC1 1098437040 JBVIKGMEKMFSKR-KRWDZBQOSA-N 321.421 -0.179 30 20 DBED CC(=O)NC1(C(=O)N[C@H]2CCN(CC#N)C[C@@H]2O)CCCCC1 1099894336 JFROFYWGKJPDKP-KBPBESRZSA-N 322.409 -0.100 30 20 DBED C=CC(C)(C)C(=O)N[C@H]1CCN(Cc2nnn(C)n2)C[C@@H]1O 1099944905 SGAUFCDNRJSWSN-QWRGUYRKSA-N 308.386 -0.526 30 20 DBED CCC(=O)N[C@H](C)C(=O)NCCN(C)c1nccnc1C#N 1100377013 JHGCWVGIAFCXNQ-SNVBAGLBSA-N 304.354 -0.185 30 20 DBED CCN(CCNC(=O)[C@H]1CNC(=O)N1)c1ccncc1C#N 1100699200 ZLCRFGIOEHWBNX-LLVKDONJSA-N 302.338 -0.423 30 20 DBED CC#CCNC1CC(CNC(=O)[C@H]2CN(C(C)=O)CCO2)C1 1100928537 NRKONJRDZTYQLY-YMAMQOFZSA-N 307.394 -0.259 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)COC[C@@H]1CCCO1 1101671001 JPNTTZHVUOPPFU-LBPRGKRZSA-N 319.365 -0.164 30 20 DBED CN(CCN=c1cc[nH]cc1C#N)C(=O)c1ccc2nnnn2c1 1101856244 LPBLKVUVVIMGQE-UHFFFAOYSA-N 322.332 -0.003 30 20 DBED COCC(=O)N[C@@H](C)C(=O)N(C)CCNc1cnc(C#N)cn1 1102008294 LOMKDRGTGIULFI-JTQLQIEISA-N 320.353 -0.630 30 20 DBED CC[C@@H](CNC(=O)c1nnn(C)c1C)N=c1cc[nH]c(C#N)n1 1103008573 DILTZJZOZXSLGI-JTQLQIEISA-N 314.353 -0.172 30 20 DBED CC[C@@H](CNC(=O)C1CS(=O)(=O)C1)Nc1ccc(C#N)nn1 1103200474 ZDPHKDXJFQWTCD-JTQLQIEISA-N 323.378 -0.300 30 20 DBED C#CCN1C[C@@H](C)[C@H](CCNC(=O)CC[C@H]2NC(=O)NC2=O)C1 1103705615 DRMSXYYNASUXFV-JHJVBQTASA-N 320.393 -0.318 30 20 DBED C=CC(C)(C)C(=O)N1CC(n2cc(CNCC(N)=O)nn2)C1 1105297905 XTWGOYULWONMNK-UHFFFAOYSA-N 306.370 -0.552 30 20 DBED CN(CCN(C)c1cncc(C#N)n1)C(=O)Cn1nccn1 1105483170 BAHJWYPWBOCLRE-UHFFFAOYSA-N 300.326 -0.465 30 20 DBED Cc1cc(C#N)nc(NC[C@H](O)CNC(=O)C2CCOCC2)n1 1105700990 RYNIMDCHHQWYKU-CYBMUJFWSA-N 319.365 -0.028 30 20 DBED N#Cc1nc(=NC[C@@H](O)CNC(=O)[C@@H]2C[C@@H]3C[C@@H]3C2)cc[nH]1 1106069106 LKASTHMLHNUJCT-NOOOWODRSA-N 301.350 -0.295 30 20 DBED Cc1cc(=NCC[C@@H](C)NC(=O)c2nnn(C)n2)c(C#N)c[nH]1 1106523457 MLXGPYSMSHXMQG-SECBINFHSA-N 314.353 -0.172 30 20 DBED C=CCCC(=O)NCc1cn(C2CN([C@@H]3CCNC3=O)C2)nn1 1107142813 QUUJPFCWJKOWDY-CYBMUJFWSA-N 318.381 -0.394 30 20 DBED C[C@@]1(CNC(=O)/C=C/C2CC2)CN(CC(=O)NCC#N)CCO1 1107838868 GSRBTWNVMFUJEA-DWTRPJMMSA-N 320.393 -0.201 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)[C@H]1CCCC(=O)N1 1107981240 KNOGHXQQXRYCBQ-NXEZZACHSA-N 302.338 -0.645 30 20 DBED C#CCCN1CCO[C@@](C)(CNC(=O)[C@H]2CCCNC2=O)C1 1108010028 LGXAYPODAZDCIY-BBRMVZONSA-N 307.394 -0.257 30 20 DBED C#CCCN1CCO[C@](C)(CNC(=O)[C@]2(C)CCC(=O)N2)C1 1108193245 CJXSEWKZQWLBDN-CVEARBPZSA-N 307.394 -0.115 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)CNC(=O)CCC)CC2=O)C1 1108515758 PKGTWMIHKXAWLG-GFCCVEGCSA-N 322.409 -0.510 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CC(=O)N(C2CN(CC#CC)C2)C1 1108545862 HNHVIIVPSIBJOB-UONOGXRCSA-N 317.389 -0.551 30 20 DBED C[C@H](CN(C)c1ccc(C#N)nn1)NC(=O)[C@H]1CCNC(=O)C1 1108895469 WFPSEQGPNNORGK-MNOVXSKESA-N 316.365 -0.185 30 20 DBED C[C@@H](CN(C)c1ccc(C#N)cn1)NC(=O)Cn1ncnn1 1109119284 SCNFKCBVSHUYKP-JTQLQIEISA-N 300.326 -0.419 30 20 DBED C[C@H](CN(C)c1ccc(C#N)nn1)NC(=O)C(C)(C)C(N)=O 1109124648 GHQPSYQKAUKGKV-SECBINFHSA-N 304.354 -0.199 30 20 DBED C[C@@H](CN(C)c1ccc(C#N)nn1)NC(=O)[C@]1(C)CNC(=O)C1 1109157040 VHFCRTOFPLDEST-BONVTDFDSA-N 316.365 -0.185 30 20 DBED C#CCOCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2[C@@H]1CCNC1=O 1109273503 FSDBVGWGEWQBGX-ZOBORPQBSA-N 305.378 -0.364 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@]1(C)CCNC1=O 1109714615 QLKSZWGNMQDXQV-XJIUQZFPSA-N 319.405 -0.116 30 20 DBED N#Cc1ccc(NC[C@@H](NC(=O)[C@@H]2COC(=O)N2)C2CC2)nn1 1109832496 HOVISQMDFKSRHK-MNOVXSKESA-N 316.321 -0.237 30 20 DBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cc1ccc[nH]1 1110129876 HHUMEPWAMNGHCP-RDBSUJKOSA-N 315.377 -0.082 30 20 DBED N#Cc1nccnc1NCCN(CCO)C(=O)Cc1ccon1 1111440088 YDHJKZRYWBYMLO-UHFFFAOYSA-N 316.321 -0.188 30 20 DBED C[C@@H]1CN(c2ccnc(C#N)n2)CC[C@H]1NC(=O)CNC(N)=O 1112392842 MKSKAHPYYFKCAD-NXEZZACHSA-N 317.353 -0.652 30 20 DBED CCOCC(=O)NC[C@@H]1CN(c2nc(C)cc(C#N)n2)C[C@@H]1O 1112692760 RLGXIJHHSAIJTE-YPMHNXCESA-N 319.365 -0.394 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CCC(=O)NC1)N(C)c1nccnc1C#N 1113961290 JOKICPGQFBKNAM-WDEREUQCSA-N 316.365 -0.185 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)COCC=C)[C@H]2C1 1114051101 OSDYOVIWVRSTQU-CXTNEJHOSA-N 305.378 -0.627 30 20 DBED C=CCOCCN1C[C@H]2C(NC(=O)C3CN(C(C)=O)C3)[C@@H]2C1 1114175645 ICQAVQLAFOHHMN-ZIAGYGMSSA-N 307.394 -0.286 30 20 DBED CC(C)C#CC(=O)N[C@H]1[C@@H]2CN([C@@H](C)c3nnnn3C)C[C@@H]21 1114247882 QIGJKZTUEUBURZ-CIQGVGRVSA-N 302.382 -0.023 30 20 DBED C#CCCN1C[C@H]2C(NC(=O)CNC(=O)N3CCCC3)[C@@H]2C1 1114266903 ZSXRQBZNJUWARP-CHWSQXEVSA-N 304.394 -0.139 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)C(C)(C)CNC(C)=O)[C@@H]2C1 1114959745 JLCKMOPOJRQLPO-ZIAGYGMSSA-N 321.421 -0.155 30 20 DBED COCCC(=O)NCCOCCN(C)c1ccnc(C#N)n1 1115163773 WQRMDGNVOQWPLY-UHFFFAOYSA-N 307.354 -0.046 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)NOCCSC 1117633941 KSPWDEGETDLNCA-UHFFFAOYSA-N 310.397 -0.886 30 20 DBED N#CC1(NC(=O)CNS(=O)(=O)c2cccnc2)CCOCC1 1118609362 OKKISHZQCHMGEY-UHFFFAOYSA-N 324.362 -0.451 30 20 DBED C#CCNC(=O)[C@H](C)NC1CC2(CC(NC(=O)CC(N)=O)C2)C1 1120874720 OYUPPOHCYISTOX-MJMQAPBISA-N 320.393 -0.983 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@H](CO)Nc1ncnc2[nH]cnc12 1121405111 KQYUAIMATDCZOK-OTYXRUKQSA-N 320.353 -0.431 30 20 DBED Cc1ccc(C#N)c(N[C@@H](CO)CNC(=O)Cn2cncn2)n1 1121536029 KRWZHCCGRYVZSY-GFCCVEGCSA-N 315.337 -0.558 30 20 DBED CCC[C@H](OC)C(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1 1122318978 YFACIPKYFMGPMC-QWRGUYRKSA-N 307.354 -0.526 30 20 DBED CO[C@@H](C(=O)NC[C@@H](CO)N=c1cc[nH]cc1C#N)C(C)C 1122445497 QHSOHMJDBSEMGW-GXTWGEPZSA-N 306.366 -0.065 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)Cc2cnn(C)c2)C1=O 1124622519 VFJKAGMSMBQVGU-ZDUSSCGKSA-N 305.382 -0.545 30 20 DBED CN(C[C@H](O)CNc1ccc(C#N)nn1)C(=O)c1cnn[nH]1 1124894875 DTYBFNJIXFCGEX-SECBINFHSA-N 302.298 -0.989 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)[C@H](C)n2cncn2)C1=O 1125918182 LNBLQZJGXIBRNU-RYUDHWBXSA-N 306.370 -0.668 30 20 DBED C#CCN1CCn2ncc(CNC(=O)CN(C)C(C)=O)c2C1 1128217967 MFVGMHJBZGNSPB-UHFFFAOYSA-N 303.366 -0.574 30 20 DBED CC#CCN1C[C@H]2C[C@H]3CN(C(=O)CCNC(N)=O)C[C@@]3(C1)O2 1131289954 UEEOHLKVMHDSOI-WOSRLPQWSA-N 320.393 -0.630 30 20 DBED C=CCCCN1CCNC(=O)CCN(C(=O)CC(=O)NC)CC1 1131351363 KMSHBPCTMHZDEA-UHFFFAOYSA-N 324.425 -0.261 30 20 DBED CCN(C)C(C)(C)C(=O)N1CCC(=O)NCCN(CC#N)CC1 1131367103 MTUCBQCTOYSHDM-UHFFFAOYSA-N 323.441 -0.109 30 20 DBED C#CCN1CC[C@]2(C1)CN(C(=O)CNC(=O)NC)C[C@@H](C)O2 1131665851 JUPQPRRSEPZAFV-DOMZBBRYSA-N 308.382 -0.760 30 20 DBED COCC#CCN1C[C@@H](NC(=O)Cn2cnnn2)CC[C@H]1C 1131784826 ZDLGTRMTVFJTLJ-OLZOCXBDSA-N 306.370 -0.708 30 20 DBED CC#CCNC[C@H]1CN(C(=O)CN2C(=O)CNC2=O)CC[C@H]1C 1133307164 VNIGWOZJZDQEIJ-OLZOCXBDSA-N 320.393 -0.364 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cn(C)nc1C(C)(C)C 1135422819 IBABTJANMBVSIN-UHFFFAOYSA-N 319.409 -0.214 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@H](C)Oc1ccccn1 1148108240 SZJSTQZMHGLQED-LBPRGKRZSA-N 306.366 -0.143 30 20 DBED C=CCNC(=O)CN1CCC2(C1)CN(C(=O)Cn1cncn1)C2 1148720395 DBTJGWDGRJPWFC-UHFFFAOYSA-N 318.381 -0.885 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cnn2c1C[C@@H](C)CC2 1149352356 QUEJXROISYHKHG-LBPRGKRZSA-N 317.393 -0.466 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CN(CCN2CCCC2=O)CCCO1 1149415955 PXURGMOOMZTJHG-KGLIPLIRSA-N 322.409 -0.024 30 20 DBED COCC#CCN1CCCO[C@H](CNC(=O)[C@H]2CCN(C)C2)C1 1150699480 JAPDQDXWKSWLMB-JKSUJKDBSA-N 323.437 -0.205 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@H](C)OC[C@@H]1CCCO1 1153177003 NCFJVPHZNDYMFV-STQMWFEESA-N 313.398 -0.422 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)[C@H](C1CC1)N(C)C 1153824572 UJBOVMXSHPBMDE-CJNGLKHVSA-N 322.453 -0.097 30 20 DBED COCC#CCNCCCNC(=O)[C@@H]1CCCc2nn[nH]c21 1165277101 GEHKIIIPPXJASO-GFCCVEGCSA-N 305.382 -0.030 30 20 DBED COCC#CCNCCCNC(=O)c1cn([C@@H]2CCOC2)nn1 1170500747 QSYVRRAEYHBTGW-CYBMUJFWSA-N 321.381 -0.401 30 20 DBED C=C(Cl)CNCCCNC(=O)CC[C@H]1NC(=O)NC1=O 1175575665 VRZNLCRJDMWPQH-SECBINFHSA-N 302.762 -0.177 30 20 DBED C=CCCN1CCO[C@H]2CCN(C(=O)CCNC(N)=O)C[C@@H]21 1177144196 LIYLWGGXHNTPBP-STQMWFEESA-N 310.398 -0.077 30 20 DBED C#CCOCCC(=O)N1CC[C@H](NCc2ncnn2C)[C@@H]1C 1178681832 ONMMRBSDMIVTFH-STQMWFEESA-N 305.382 -0.066 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](N[C@H](C)C(=O)NCCC)C1 1182145359 NFILZAYFHNOMOD-CHWSQXEVSA-N 322.409 -0.769 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)Cc2ccncc2C)C1 1182599298 TZIWWCFUMQBLON-OAHLLOKOSA-N 314.389 -0.128 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)c2ccc(C(N)=O)[nH]2)C1 1185689972 ONXPKIPQJZRZGZ-SNVBAGLBSA-N 319.365 -0.780 30 20 DBED Cc1cc(CC(=O)N2CC[C@H](N(C)CC(=O)NCC#N)C2)n[nH]1 1189611711 SXMYMDKGDLIFPT-ZDUSSCGKSA-N 318.381 -0.567 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(CCCC2CCC2)C[C@H]1O 1192395209 AFSQPLRRMVPWJP-HUUCEWRRSA-N 321.421 -0.133 30 20 DBED CC(C)(C)C#CC(=O)N[C@@H]1CN(CC(=O)N2CCC2)C[C@H]1O 1192871665 WBWFNWKKUHMUDZ-CHWSQXEVSA-N 307.394 -0.571 30 20 DBED CN(CC(=O)NCC#N)[C@@H]1CCN(C(=O)C[C@@H]2CCCOC2)C1 1194061001 RPGKEFVKSZPTCB-UONOGXRCSA-N 322.409 -0.024 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCCN([C@H](C)C(=O)NC(N)=O)CC1 1195805952 IOAPRORRWWYELX-NEPJUHHUSA-N 324.381 -0.858 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)CC(C)(F)F)C1 1195949105 XTDGCDKYAOEZHY-NXEZZACHSA-N 305.325 -0.505 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)c2c[nH]nc2C2CC2)C1 1197420397 HDNKUVVSQZIYIG-ZIAGYGMSSA-N 318.377 -0.288 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C(C2CC2)C2CC2)C1 1197636665 FIRFSHWCLFTWSZ-ZIAGYGMSSA-N 319.405 -0.667 30 20 DBED C=CCCCN1C[C@@H](O)[C@H](NC(=O)C(C)(C)NC(=O)NC)C1 1199043405 UAXQQCAXDINOFR-VXGBXAGGSA-N 312.414 -0.179 30 20 DBED C#CCNC(=O)CNC[C@H]1CN(C(=O)C=C(C)C)CCCO1 1199753305 MMSSIIFMEFSLPL-AWEZNQCLSA-N 307.394 -0.091 30 20 DBED N#CCNC(=O)CNC[C@H]1CN(C(=O)[C@@H]2CC23CC3)CCCO1 1201484257 RYQREHOXAGPLKN-STQMWFEESA-N 320.393 -0.367 30 20 DBED C=C(C)CN(CC)C(=O)[C@@H](C)NC1CCN(C(=O)C(N)=O)CC1 1202273266 NAODNEWLZAWTLO-GFCCVEGCSA-N 324.425 -0.135 30 20 DBED CNC(=O)NCC(=O)N[C@H]1C[C@H](NCC#CCOC)C12CCC2 1203005416 NULBJIKUHQQJTI-STQMWFEESA-N 322.409 -0.418 30 20 DBED COCC#CCN[C@H]1C[C@H]2CC[C@H]1N(C(=O)Cn1cnnn1)C2 1203944146 UFHXETDWJWSWBJ-HZSPNIEDSA-N 318.381 -0.708 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCC(NCc2nnnn2C)CC1 1204028884 QNXDZGYJZJQWKI-NSHDSACASA-N 308.386 -0.118 30 20 DBED C#CCNCC1CCN(C(=O)COCc2nncn2C)CC1 1206741876 NLUXLSIKDWBHEG-UHFFFAOYSA-N 305.382 -0.207 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(CCOCC2CC2)C[C@H]1C 1206892989 RXFWKAAMZIDPEI-UKRRQHHQSA-N 321.421 -0.011 30 20 DBED CO[C@H](C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C)C1CCC1 1208219017 BKIXAYSJMKKQMF-KYOSRNDESA-N 322.409 -0.122 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)c2c[nH]nc2C)[C@H](C)C1 1208257816 NLHXFDPPIXEHRG-MPKXVKKWSA-N 317.393 -0.094 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)[C@H](CCC)OC)[C@H](C)C1 1208289031 KRCSSCZKGGSTAB-MCIONIFRSA-N 309.410 -0.013 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)[C@@]1(C)CCCOC1 1209784807 XUEOJNCOMKBEJV-IOASZLSFSA-N 322.409 -0.121 30 20 DBED C#CCCCCC(=O)N[C@@H]1CN(Cc2nnnn2C)C[C@H]1OC 1212144048 ZFFRJBKLBSDGOI-CHWSQXEVSA-N 320.397 -0.281 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)C(C)(C)CC)[C@H](OC)C1 1213358546 HHSIWPUPVWDLSZ-CHWSQXEVSA-N 309.410 -0.013 30 20 DBED C=CCOCCN1C[C@@H](NC(=O)Cc2ncc[nH]2)[C@H](OC)C1 1213615949 MGAICNODGBSRDK-CHWSQXEVSA-N 308.382 -0.030 30 20 DBED C[C@@H]1CN(C(=O)Cc2cnoc2)C[C@H]1NCC(=O)NCC#N 1215383493 YNPUWAOJGNMTCN-ZYHUDNBSSA-N 305.338 -0.707 30 20 DBED COCC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)C[C@H](C)OC 1217503309 CTFGPYRVSIEVCM-SOUVJXGZSA-N 310.394 -0.027 30 20 DBED C=CCCC(=O)N[C@@H]1CN(Cc2nc(COC)no2)C[C@@H]1O 1219333123 PWUUPTCJRRBBBZ-MNOVXSKESA-N 310.354 -0.157 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CN(Cc2nnn(C(C)(C)C)n2)C[C@@H]1O 1219381479 SZRAGMCAEHJURO-MXWKQRLJSA-N 321.385 -0.751 30 20 DBED COCc1noc(CN2C[C@H](O)[C@H](NC(=O)C#CC3CC3)C2)n1 1219589969 QIVIFFHCRHRRLA-NEPJUHHUSA-N 320.349 -0.709 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2nnc(C)s2)C[C@@H]1O 1219611757 HVMJBXNUVXEGJH-NEPJUHHUSA-N 324.406 -0.452 30 20 DBED CCc1nn(C)cc1C(=O)N[C@@H]1CN(CC#CCOC)C[C@@H]1O 1219849589 LXSLKICWABBXNX-CABCVRRESA-N 320.393 -0.593 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)C[C@H]2CCN(C)C2)C1 1220755384 NSFFJEPUWDEIFJ-KFWWJZLASA-N 311.426 -0.308 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)CCC2CCN(C(C)=O)CC2)C1 1221022931 TXHPXQSSQJWODF-CVEARBPZSA-N 321.421 -0.180 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@H](C)NC(=O)C2CCC2)C1 1221185236 BJFSYJMBOKVWFN-YUTCNCBUSA-N 307.394 -0.524 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)[C@H]2CCO[C@H]2C)CC1 1224948193 VXPUMFQNZYCBBB-ZFWWWQNUSA-N 321.421 -0.011 30 20 DBED CC#CCN1CCC(NC(=O)CC[C@H]2NC(=O)NC2=O)CC1 1230226494 RGTRTUCUGXTBRU-GFCCVEGCSA-N 306.366 -0.422 30 20 DBED CN(C[C@H]1CCN1CCS(C)(=O)=O)C(=O)CSCC#N 1230816101 XBNIZRVGHAEGIF-LLVKDONJSA-N 319.452 -0.180 30 20 DBED CN(C[C@@H]1CCN1CC(=O)NCC#N)C(=O)[C@H]1CCCOCC1 1233926633 PYRQHLJXSWFKQA-KBPBESRZSA-N 322.409 -0.024 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)c1cnn(CC)n1 1234058109 GBHSJYZUNBPVKV-GFCCVEGCSA-N 318.381 -0.806 30 20 DBED CC#CCN1CC[C@@H]1CN(C)C(=O)[C@H](C)NS(=O)(=O)CC 1234446031 MQJSNOMHJJMHJG-QWHCGFSZSA-N 315.439 -0.130 30 20 DBED C[C@@H](CN1CCOCC1)NC(=O)C(=O)Nc1ccc(C#N)cn1 1261238875 VDMWGIVEYFLVNB-NSHDSACASA-N 317.349 -0.271 30 20 DBED C=CCNC(=O)Cc1noc(-c2cn(CCCCN)nn2)n1 1261442455 RHPUJDIJWRTMEG-UHFFFAOYSA-N 305.342 -0.088 30 20 DBED C=C(C)Cn1c([C@@H]2CNC(=O)C2)nnc1N1CCCNC(=O)C1 1263296758 QCVSJJRWLMHOOM-NSHDSACASA-N 318.381 -0.216 30 20 DBED N#Cc1ccc(NC(=O)C(=O)NN2CC(=O)NC2=O)c(Cl)c1 1322980692 IGNVZDIBJIKDDW-UHFFFAOYSA-N 321.680 -0.267 30 20 DBED N#CC1CCN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 1323905690 OBFTXGJILBSSGU-UHFFFAOYSA-N 320.309 -0.330 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@@H](C)CCN(C)C 1323982230 VNYVKYSUSLDKQO-NSHDSACASA-N 319.427 -0.840 30 20 DBED COCCN1CCN(C(=O)C(=O)NCCCCC#N)CC1=O 1324372984 BTCNZDHVWUZLBE-UHFFFAOYSA-N 310.354 -0.886 30 20 DBED C[C@H](NC(=O)C(=O)Nc1ccc(C#N)cn1)[C@H]1CN(C)CCO1 1324503592 WVYVLUYBLMVHQH-CMPLNLGQSA-N 317.349 -0.273 30 20 DBED CC(=O)NC1CCC(N(C)C(=O)NCC(=O)NCC#N)CC1 1325035276 ZEPNXDHZMKKXCL-UHFFFAOYSA-N 309.370 -0.285 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CC[C@H](C(=O)OC)[C@H]1C)[C@@H]1CCCO1 1325474675 LVXLZCBHBYEJPH-VOAKCMCISA-N 322.361 -0.307 30 20 DBED Cn1nnc(Br)c1C(=O)OCC(=O)NCCC#N 1325925882 XNVLTWLUPJURTL-UHFFFAOYSA-N 316.115 -0.236 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N1CC[C@H](CN2CCCC2=O)C1 1328074710 GEOGZOUYMQYEBL-OLZOCXBDSA-N 323.393 -0.226 30 20 DBED CN(C[C@@H]1CCOC1)C(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1329478647 NLMJUZIKXRZYBM-GXTWGEPZSA-N 320.393 -0.320 30 20 DBED CC(C)[C@@H](C(=O)O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1329579461 MOLSIJVBPCIUIO-QGDAWOFLSA-N 309.322 -0.014 30 20 DBED O=C1NC(=O)C(=NNc2ccc(C(F)(F)F)nn2)C(=O)N1 1330287408 ZPIMPVRFYMYWSO-UHFFFAOYSA-N 302.172 -0.371 30 20 DBED C=CC[C@@H]1NC(=O)N(CCNS(=O)(=O)c2cccnc2)C1=O 1339080534 WVANGJPUSGQPNW-NSHDSACASA-N 324.362 -0.144 30 20 DBED C=CCn1c(N(C)CCC(=O)NC)nnc1[C@@]1(O)CCOC1 1339910316 CUKBBMIWLVPXSZ-CQSZACIVSA-N 309.370 -0.356 30 20 DBED C=CCn1c([C@@H](O)COC)nnc1N1CCN2C(=O)CC[C@@H]2C1 1340790587 BELGMWZRCDSTPF-NEPJUHHUSA-N 321.381 -0.045 30 20 DBED N#C[C@@]1(F)CCN(C(=O)C(=O)N[C@@H]2CCCS(=O)(=O)C2)C1 1342119998 JIFDTVRHROETJH-SKDRFNHKSA-N 317.342 -0.856 30 20 DBED N#Cc1cn(CC(=O)N2CCC[C@H](CCO)C2)c(=O)nc1O 1362268386 SAKCWFAEKKLHDZ-SNVBAGLBSA-N 306.322 -0.558 30 20 DBED CNC(=O)C(C)(C)CNC(=O)CCn1cc(C#N)c(O)nc1=O 1362651548 SJODDZIDCYAEJO-UHFFFAOYSA-N 321.337 -0.901 30 20 DBED C=C(Cl)CN[C@@H](C)[C@H]1CN(C(=O)Cn2ncnn2)CCO1 1369143188 FPNWWBMQHOEARG-WDEREUQCSA-N 314.777 -0.369 30 20 DBED CCN(CCC#N)C(=O)CN1CC[C@@H](NC(=O)CNC(C)=O)C1 1373617660 SKYLQOVFYOEEEA-CYBMUJFWSA-N 323.397 -0.925 30 20 DBED CCN(CCC#N)C(=O)CN[C@H]1CCN(C(=O)c2cnn[nH]2)C1 1389791578 QEVMKAQXKGTQAP-NSHDSACASA-N 319.369 -0.629 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)c2ccc(C(N)=O)nc2)CC1 1393815902 GPPBURJOSZBEPG-VIFPVBQESA-N 315.333 -0.281 30 20 DBED CCN(C)C(=O)CNCC1(O)CCN(C(=O)[C@@H](C)C#N)CC1 1402806303 VHPUKIYSYWQZEE-LBPRGKRZSA-N 310.398 -0.433 30 20 DBED C[C@H](NC(N)=O)C(=O)NC1CN(Cc2cccc(C#N)c2)C1 1404746585 MCEFPWIMQBLKFF-JTQLQIEISA-N 301.350 -0.085 30 20 DBED C[C@H](CCNC(=O)c1cn(C)c(=O)nc1O)NC(=O)[C@H](C)C#N 1408465219 IPNOQPIELNVVQN-RKDXNWHRSA-N 321.337 -0.730 30 20 DBED CC[C@@H](NC(=O)Cn1cc(C#N)c(O)nc1=O)c1ncc[nH]1 1412869122 IGGNERPYHSNGJE-SECBINFHSA-N 302.294 -0.189 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@@H]1CCN(C(=O)CN2CCOCC2)C1 1414591718 ACCLLKQFLDFLTK-CHWSQXEVSA-N 308.382 -0.462 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)[C@@H](C)S(C)(=O)=O)CC1 1417198727 XSTCRLGXDGGKHI-RKDXNWHRSA-N 301.368 -0.656 30 20 DBED CC(=O)N[C@H](C)C(=O)NC[C@@H](O)CNCc1ccc(C#N)s1 1422283339 SLOGORUBACOXJA-KOLCDFICSA-N 324.406 -0.289 30 20 DBED COC(=O)CNC(=O)CNC(=O)Nc1cc(C)n(CCC#N)n1 1434718561 FOVDTJMHYMLCQQ-UHFFFAOYSA-N 322.325 -0.484 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CN(C)C(=O)c1cnc2n1CCC2 1444680552 ULNROIWHHASXTG-GHMZBOCLSA-N 319.365 -0.462 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CN(C)C(=O)CCc1ncccn1 1444721374 ZDFIRVMADFGHAT-NEPJUHHUSA-N 319.365 -0.496 30 20 DBED C[C@@H](C#N)C(=O)N(C)C[C@@H]1CCCN1C(=O)Cn1cncn1 1449476068 WCHWUBWVCCOPTK-RYUDHWBXSA-N 304.354 -0.113 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)C2CCN(C)CC2)C1 1480619752 WHDXIUVKQNHAGH-HIFRSBDPSA-N 320.437 -0.343 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](C)CN(C)C(=O)c1cccn2nnnc12 1487789512 MGFRDNDADRQMND-VHSXEESVSA-N 315.337 -0.139 30 20 DBED CCn1nc(C(=O)N(C)CCNC(=O)[C@H](C)C#N)ccc1=O 1496498624 CIPYPZHNKLMUHR-SNVBAGLBSA-N 305.338 -0.389 30 20 DBED CCN(C(=O)[C@H](C)C#N)[C@H](C)CNC(=O)CN1CCCNC1=O 1512442754 NTPSDHURKCSWPQ-VXGBXAGGSA-N 323.397 -0.085 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@@H]1CCN(C(=O)c2cnc(O)n2C)C1 1523140565 YRTSTVOULKFKED-NXEZZACHSA-N 305.338 -0.042 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(CCNC(=O)c2cnsn2)CC1 1524068509 NBWKBJBCVDBWQN-JTQLQIEISA-N 322.394 -0.428 30 20 DBED CCN(CCNC(=O)[C@@H](C)C#N)c1ccnc(-c2nn[nH]n2)n1 1577923152 FTLILORQVZAYNT-VIFPVBQESA-N 315.341 -0.241 30 20 DBED C[C@@H]1CNC[C@H]1NC(=O)NCCN/C(O)=C1\N=CC=CC1=O 1579464756 ICSQFDAUBYXXMU-CMPZMUMBSA-N 307.354 -0.580 30 20 DBED C#CC[C@@H](NC(=O)CCCn1cnc2c(N)ncnc21)C(=O)O 1588404563 DDYZICCLIXYTFB-SECBINFHSA-N 316.321 -0.219 30 20 DBED C#CCN(CC(=O)O)c1nnc(-c2nccn2C)n1CCOC 1588426597 QEDAYAJAUFOUPJ-UHFFFAOYSA-N 318.337 -0.151 30 20 DBED C#CCN(C(=O)N[C@H]1C[C@@H](C(=O)O)C1)[C@@H]1CCS(=O)(=O)C1 1588460246 VPXJVIAERWAELC-OUAUKWLOSA-N 314.363 -0.319 30 20 DBED C#CCNC(=O)CN1CCN(c2ncc(C(=O)O)cn2)CC1 1588483822 KOVXSACHSSMIIR-UHFFFAOYSA-N 303.322 -0.954 30 20 DBED C[C@@H]1CN(CCn2c(N)nc(-c3nn[nH]n3)c2C#N)CCO1 1590307011 CYSUQXZIIWZPFY-MRVPVSSYSA-N 303.330 -0.762 30 20 DBED N#CCN(CCC(=O)O)C(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O 1601069720 FUYHHTHQZKYVAS-PHIMTYICSA-N 321.333 -0.012 30 20 DBED C[C@@H]1C[C@H](CO)CN(c2cnc(C#N)c(-c3nn[nH]n3)n2)C1 1603850518 GYDASBMLSSBOOW-BDAKNGLRSA-N 300.326 -0.017 30 20 DBED Cc1cc(NC(=O)C(=O)NC[C@H](C)C#N)ncc1-c1nn[nH]n1 1605702796 HPVCXQBNWPVXFB-SSDOTTSWSA-N 314.309 -0.216 30 20 DBED N#Cc1nc(N)n(CC(=O)NCC(F)(F)F)c1-c1nn[nH]n1 1609500851 DURQVMUDPNONSD-UHFFFAOYSA-N 315.219 -0.804 30 20 DBED C=CCNC(=O)CNC[C@H]1CCCN1C(=O)C[C@H]1CCC(=O)N1 1698732633 DDSSQRICJQSYMG-CHWSQXEVSA-N 322.409 -0.462 30 20 DBED C=CCNC(=O)[C@@H](C)N(C)C[C@@H]1CCCN(C(=O)CC(N)=O)C1 1752501736 AWZBXBGWTOCIRP-OLZOCXBDSA-N 324.425 -0.277 30 20 DBED C[C@@H](CNC(=O)CN1CCCCCC1=O)NCC(=O)NCC#N 1752919361 UDVBPYLXHYJPDJ-LBPRGKRZSA-N 323.397 -0.877 30 20 DBED C#CCNC(=O)CN(CC)CCNC(=O)c1coc(OC)n1 1753086213 IUTADTLXAYONFN-UHFFFAOYSA-N 308.338 -0.516 30 20 DBED C=CCN1CC[C@H](N(CC)CCNC(=O)c2[nH]nnc2C)C1=O 1753086459 SEFGYJZUTAHRRW-LBPRGKRZSA-N 320.397 -0.048 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@H]1CCN(CCN2CCNC2=O)C1 1753123134 SBTJSRRSAZVJPO-CZUORRHYSA-N 324.425 -0.223 30 20 DBED C#CCCN1CCN(CCN(C)C(=O)CNC(=O)OC)CC1 1753343769 GQAOZGDEILTJHW-UHFFFAOYSA-N 310.398 -0.558 30 20 DBED C#CCNC(=O)CN1CC(CNC(=O)c2cccn2CC)C1 1753417590 OPTXJOVLFATHRH-UHFFFAOYSA-N 302.378 -0.081 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C[C@H]1CN2C(=O)c1nc(C)c[nH]1 1753425683 WQLGGBNJOXLQEH-RYUDHWBXSA-N 301.350 -0.634 30 20 DBED COCC#CCNCC[C@H]1CCCN(C(=O)CCNC(N)=O)C1 1753560750 DRTMVBJDFRHADN-CQSZACIVSA-N 324.425 -0.087 30 20 DBED C#CCNC(=O)CN1CCO[C@H](CNC(=O)/C=C(\C)CC)C1 1753650758 ZBNQXLICUHPADP-KADHNRKRSA-N 307.394 -0.091 30 20 DBED CCn1nccc1C(=O)NC[C@H](NCC(=O)NCC#N)C(C)C 1753828084 BZZIYNSHGFPQHW-LBPRGKRZSA-N 320.397 -0.113 30 20 DBED COCC#CCNC[C@@H](O)CNC(=O)c1c(C2CC2)cnn1C 1753912523 NFGGTNKMLPFXCE-CYBMUJFWSA-N 320.393 -0.372 30 20 DBED C#CCNC(=O)CNCC[C@@H](C)NC(=O)Cc1[nH]cnc1C 1754018499 UFYHHWMBPNIEIV-LLVKDONJSA-N 305.382 -0.506 30 20 DBED CC#CCN(C)C[C@H](C)NC(=O)CN1CCCCS1(=O)=O 1754320453 UZOGJXGPRJRLIY-ZDUSSCGKSA-N 315.439 -0.128 30 20 DBED C#CCCN1CC[C@@](O)(CNC(=O)[C@]2(CC)CCNC2=O)C1 1754754245 MZHGFDRMRVKGNP-HZPDHXFCSA-N 307.394 -0.521 30 20 DBED C#CCNC(=O)CN1CC([C@@H](C)NC(=O)[C@@H](C)OCC2CC2)C1 1755374146 JMSOYADKTWAAKK-CHWSQXEVSA-N 321.421 -0.013 30 20 DBED CCn1cc(C(=O)NCC2[C@H]3CN(CC#CCOC)C[C@H]23)nn1 1755430860 SRKGTGHMQAQZSJ-ZIAGYGMSSA-N 317.393 -0.145 30 20 DBED CCc1cc(C(=O)NC[C@H](CO)NCC#CCOC)c(C)nn1 1755635952 WUODMWUTBQXRMH-CQSZACIVSA-N 320.393 -0.322 30 20 DBED C=CCCCC(=O)N[C@H](C)[C@H](C)NC(=O)CN1C(=O)CNC1=O 1755979339 AWAGZQMLYPJKFN-MNOVXSKESA-N 324.381 -0.096 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@H](C)N(C)C(=O)CN(C)C(C)=O 1756019482 AFFULHVILCZFBR-XHDPSFHLSA-N 313.398 -0.245 30 20 DBED C=CCC(C)(C)C(=O)NC[C@H](CO)NC(=O)c1nnn(C)n1 1756522737 OZDCVLXSBVQIEJ-SECBINFHSA-N 310.358 -0.981 30 20 DBED C#CCCCC(=O)N1CC[C@H](NC(=O)Cn2ncnn2)[C@@H]1C 1756562101 QYJMHGUAZVYACY-RYUDHWBXSA-N 304.354 -0.418 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(C(=O)Cc2ccc[nH]2)C[C@H]1O 1757564052 QSXFQPSESVZXKN-UONOGXRCSA-N 321.377 -0.162 30 20 DBED N#Cc1ccccc1S(=O)(=O)NC(=O)[C@@H]1CCNC(=O)C1 1771622094 VHFGATOMJBZPKW-SECBINFHSA-N 307.331 -0.111 30 20 DBED N=C(N)NCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC1CC1 1793468421 JGDPKJXXCNSOCP-CLLJXQQHSA-N 317.393 -0.479 30 20 DBED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)O)C2)C1 1840844404 UOWSCQRJJBROMS-CJNGLKHVSA-N 324.377 -0.763 30 20 DBED C#CC(=O)N1CC2(CCCN2C(=O)CCN2C(=O)C=CC2=O)C1 1841757778 KJYOMAURAGDEKY-UHFFFAOYSA-N 315.329 -0.862 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)CC 1847488630 KJTBYIMRIOUWBD-XUXIUFHCSA-N 308.378 -0.003 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC(NS(=O)(=O)CCC)CC1 42134317 NSDYIIRJTWMIAT-GFCCVEGCSA-N 315.439 -0.082 30 20 DBED N#Cc1cccc(NC(=O)C(=O)N[C@H]2CCS(=O)(=O)C2)c1 48589309 LPGPMDMEDQQIMP-NSHDSACASA-N 307.331 -0.200 30 20 DBED C[C@H](C#N)CN(C)C(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1 87168177 OEYZIXXRBIYQSP-NXEZZACHSA-N 313.383 -0.295 30 20 DBED CN(CCC#N)C(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 104320008 PXSLEGCHMGJKOD-ZDUSSCGKSA-N 308.382 -0.461 30 20 DBED N#C[C@H]1CN(CC(=O)N2CCN(c3cnccn3)CC2)CCO1 193339601 YREUSYRPYBDBPX-ZDUSSCGKSA-N 316.365 -0.650 30 20 DBED C/N=C(/NCc1nncn1C)N1CCN(c2ncccn2)CC1 262573750 NRSRXSSORGSSLU-UHFFFAOYSA-N 315.385 -0.497 30 20 DBED COCCN1CCN(S(=O)(=O)c2cncc(C#N)c2)CC1 289904812 SSCPYNGRIWRLFV-UHFFFAOYSA-N 310.379 -0.094 30 20 DBED CN1CCN(C)[C@@H](C/N=C(/O)N2CCN(C3CC3)C(=O)C2)C1 328648231 AGADKRXMNGUOQJ-ZDUSSCGKSA-N 309.414 -0.547 30 20 DBED CN1CCOC[C@@H]1/C(O)=N/[C@H]1CCCN(S(C)(=O)=O)C1 328941774 LEIWSIQZHJBEJX-WDEREUQCSA-N 305.400 -0.303 30 20 DBED C[C@@H](O)C[C@H]1COCCN1C(=O)CNc1ccc(C#N)cn1 330992657 SQWNIJRLVJBTIL-YPMHNXCESA-N 304.350 0.363 30 20 DBED COC(=O)[C@@H]1CN(C(=O)Nc2ccn(CCC#N)n2)CCO1 331240433 JGMHLUPDVHYYFK-JTQLQIEISA-N 307.310 0.202 30 20 DBED C=CC[C@H](CO)CNS(=O)(=O)N(CCC#N)CCOC 336937992 HGPHJURXECGLBC-LBPRGKRZSA-N 305.400 -0.133 30 20 DBED CC[C@]1(C)CN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CCO1 337150869 JHCUPNGLLNZJIG-NWDGAFQWSA-N 303.384 -0.044 30 20 DBED CCN(CCC#N)S(=O)(=O)N[C@H]1CCN(CCOC)C1 337167626 CMWUJWYBUIPWFE-LBPRGKRZSA-N 304.416 -0.223 30 20 DBED C[C@H]1CS(=O)(=O)CCN1S(=O)(=O)N(C)[C@H](C)CC#N 337745679 CQMNJVAXMVWVQD-ZJUUUORDSA-N 309.413 -0.416 30 20 DBED C=CCNC(=O)NC(=O)CN(CCC)[C@@H]1CC(=O)N(C)C1=O 338320009 CFGUWUITPPPZNT-SNVBAGLBSA-N 310.354 -0.533 30 20 DBED N#Cc1cccn(CC(=O)NCCCN2CCCC2=O)c1=O 340709868 NLJZAMYPIFJMNF-UHFFFAOYSA-N 302.334 -0.151 30 20 DBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCCO 343126682 MLCRJDDMTFVCRU-SNVBAGLBSA-N 311.363 -0.276 30 20 DBED CCN(CCC#N)S(=O)(=O)N1C[C@@H](C)S(=O)(=O)[C@H](C)C1 352593539 SDYPPVLSQNEQGJ-GHMZBOCLSA-N 323.440 -0.026 30 20 DBED Cc1cccc(C(=O)N[C@@H](C)C(=O)NCC(=O)NCC#N)c1 359971148 QVAULLFUSFQNJV-NSHDSACASA-N 302.334 -0.131 30 20 DBED N#CCN1CCN(C(=O)c2ccc(S(N)(=O)=O)s2)CC1 362616452 WREVANABQCIBJY-UHFFFAOYSA-N 314.392 -0.323 30 20 DBED C[C@@H]1CN(C(=O)C(=O)NCCOc2ccc(C#N)cc2)C[C@H]1N 419458147 BEJZVMNAMSVNAZ-BXUZGUMPSA-N 316.361 -0.141 30 20 DBED C=CCNC(=O)CNC(=O)C(=O)Nc1cc(C)cc(CN)c1 424455865 OLDVDKJNBUVFPM-UHFFFAOYSA-N 304.350 -0.189 30 20 DBED C=CCn1cc(CNC(=O)N[C@H](C)CN2CCN(C)CC2)nn1 425461435 BUJLEESSSJJUQR-CYBMUJFWSA-N 321.429 -0.101 30 20 DBED C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC(n2cc(C(N)=O)nn2)C1 427470432 RSOKWPDGRNREKO-ZYHUDNBSSA-N 305.338 -0.259 30 20 DBED N#Cc1cccc(N2CCN(S(N)(=O)=O)CC2)c1[N+](=O)[O-] 450240369 GFCNFCFWFGSKDQ-UHFFFAOYSA-N 311.323 -0.208 30 20 DBED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC(=O)N[C@H](C)C2)CC1 451644805 ZJOFHFCUCMLVKY-KGLIPLIRSA-N 321.425 -0.501 30 20 DBED COC(=O)[C@@H](CNS(=O)(=O)c1cnc(C)c(C#N)c1)OC 490525574 AOQITWFTVONGJI-LLVKDONJSA-N 313.335 -0.272 30 20 DBED C=CCCn1cc(C(=O)N2CC[C@H](S(=O)(=O)NC)C2)nn1 563009356 KQAJFVLLXIWDGV-JTQLQIEISA-N 313.383 -0.382 30 20 DBED CC(C)(C)N1CC[C@@H](NC(=O)NCCn2cnc(C#N)n2)C1=O 570275207 BOTLYOLGADYMOH-SNVBAGLBSA-N 319.369 -0.152 30 20 DBED CN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CC(C)(C)C1 594637008 MHFZLOKLJUKOEV-UHFFFAOYSA-N 323.440 -0.167 30 20 DBED CCN(CCC#N)S(=O)(=O)NCc1nc(C(N)=O)cs1 594864548 RBJBJGDJCGYHKU-UHFFFAOYSA-N 317.396 -0.188 30 20 DBED CN1CCN(CCCS(=O)(=O)N2CC(C)(C#N)C2)CC1 601407998 IHMWETSZBZWBFI-UHFFFAOYSA-N 300.428 -0.201 30 20 DBED C[C@@H]1[C@H](N(C)C)CCN1S(=O)(=O)N1CCO[C@@H](C#N)C1 601422157 PDMZJQMAONUDJA-GRYCIOLGSA-N 302.400 -0.520 30 20 DBED C[C@@H]1CCN(C(=O)C(=O)N2CCN(CCC#N)CC2)C[C@H]1CN 601580197 BWDLQPPXDOBVTD-ZIAGYGMSSA-N 321.425 -0.512 30 20 DBED C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)N1CCN(CCC#N)CC1 602204627 SHKQRSGDVYSSQG-AAEUAGOBSA-N 308.382 -0.680 30 20 DBED C=C[C@H](O)C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 668593493 ZLEJLNAUQYOWGU-QWRGUYRKSA-N 306.384 -0.862 30 20 DBED C=CCNC(=O)[C@@H](C)OC(=O)Cn1[nH]cc2c(=O)ncnc1-2 730658903 NSDOKGOFNRBALT-MRVPVSSYSA-N 305.294 -0.695 30 20 DBED CN(C)CCCNC(=S)NN=C1CCCS(=O)(=O)C1 731930432 YZFGJANDKUAGMC-UHFFFAOYSA-N 306.457 -0.033 30 20 DBED N#Cc1cccc(CNC(=O)CN2C[C@H](O)C[C@H]2C(=O)O)c1 739133171 FVWDEFCPWYARLE-OLZOCXBDSA-N 303.318 -0.306 30 20 DBED COc1cc(C#N)ccc1OC(=O)c1cn(CC(N)=O)nn1 742494271 UQTLVENOIFNMOK-UHFFFAOYSA-N 301.262 -0.137 30 20 DBED C#CCNC(=O)COC(=O)c1ccc(S(N)(=O)=O)s1 745253970 WFKPTIGVEVJIJR-UHFFFAOYSA-N 302.333 -0.698 30 20 DBED C#C[C@@H](NC(=O)Nc1ncn(CC(=O)N(C)C)n1)[C@@H]1CCCO1 775643843 YEQLQSVACMXFGR-MNOVXSKESA-N 320.353 -0.331 30 20 DBED Cn1cc(S(=O)(=O)NCCOC(=O)c2ccc(C#N)[nH]2)cn1 786091186 FIIBVEHOJATEEF-UHFFFAOYSA-N 323.334 -0.245 30 20 DBED COC(=O)COCC(=O)OCC(=O)NCc1ccc(C#N)cc1 803805944 CTMROYHCQSQFQX-UHFFFAOYSA-N 320.301 -0.093 30 20 DBED O=C(N[C@H]1CCCN(O)C1=O)[C@H]1COCCN1CC(F)F 816758988 BVJXNCOLHQEZKT-DTWKUNHWSA-N 307.297 -0.551 30 20 DBED C[C@@H](NC(=O)COC(=O)[C@@](C)(C#N)CC(=O)O)C(=O)N(C)C 820122569 TZUNGQILVAEZLQ-AMIZOPFISA-N 313.310 -0.873 30 20 DBED N#CC1CCN(C(=O)[C@H]2CCCN(S(N)(=O)=O)C2)CC1 824719032 AZQYBWXFMURLQU-NSHDSACASA-N 300.384 -0.336 30 20 DBED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(C(=O)O)c(F)c1 833377471 YUFASEFNUVYDOC-UHFFFAOYSA-N 323.280 -0.119 30 20 DBED CNS(=O)(=O)c1csc(C(=O)N[C@@H]2CNC[C@H]2C#N)c1 834480558 RZFJQAWHNWQQAN-VXNVDRBHSA-N 314.392 -0.502 30 20 DBED C=CCN(C(=O)CO[C@H]1CCCNC1)[C@H]1CCS(=O)(=O)C1 843397892 SNKOXUGIJIAFTP-STQMWFEESA-N 316.423 -0.043 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N[C@@H]1CCc2n[nH]cc2C1 875082813 HPVCRNDXPTXHRF-QWHCGFSZSA-N 318.377 -0.072 30 20 DBED CNCCN(C)C(=O)C(=O)NCc1ccc(OC)c(C#N)c1 885210433 SRXDWBDMXWPNFX-UHFFFAOYSA-N 304.350 -0.139 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CC(N2CCCC2=O)C1 907736536 HPTBBTLFLIFSDD-UHFFFAOYSA-N 300.384 -0.227 30 20 DBED C[C@H](NS(=O)(=O)N(C)[C@@H](C)CC#N)[C@H]1CN(C)CCN1C 919990971 SRXROGMXKXKPSB-RWMBFGLXSA-N 317.459 -0.311 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2nnn(C)n2)C1 936124500 RMUFYQLQPXZHPG-MXWKQRLJSA-N 320.353 -0.868 30 20 DBED CN(C(=O)[C@@H]1CCNC1=O)[C@H]1CCN(C(=O)C#CC2CC2)C1 937350289 SETVLIBHMNNXHU-QWHCGFSZSA-N 303.362 -0.405 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](NC(=O)c2cn(C)c(=O)cn2)C1 938418272 BQCDHIKMSDHAKY-ZJUUUORDSA-N 303.322 -0.729 30 20 DBED C=CCN[C@@H]1CN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)C[C@H]1C 939334651 RBOZYUAFUGQJRN-ZYHUDNBSSA-N 316.365 -0.306 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](NC(=O)C(N)=O)[C@H](c2ccccc2)C1 940880545 SAAQDEXHDOUEDM-KGYLQXTDSA-N 314.345 -0.258 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)Cn2nccn2)C1 942450621 RFWXKEIBMVXINZ-UPJWGTAASA-N 319.365 -0.414 30 20 DBED C#CCCN1CC[C@H](NC(=O)CN2CCOCC2=O)C[C@@H]1C 947394579 GGLMRLIPZVPAKE-KBPBESRZSA-N 307.394 -0.162 30 20 DBED C#CCCN1CCC2(CC1)CN(C(=O)C1(C(N)=O)CC1)CCO2 949174552 WVEPDGLZOOYXPX-UHFFFAOYSA-N 319.405 -0.031 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1cnon1 950755586 PJCSOBFFNLNCPF-YPMHNXCESA-N 317.349 -0.502 30 20 DBED C=C(C)CCN1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)CC1 951165345 DONOCFUAHWWZEH-UHFFFAOYSA-N 320.393 -0.192 30 20 DBED C=CCn1cc(C(=O)N2CCN([C@H](CC)C(N)=O)CC2)nn1 951559571 CQZHTRTYTRVMOG-GFCCVEGCSA-N 306.370 -0.514 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C(=O)C(N)=O)[nH]1 952589131 HRRDEOXCSWZBOO-MNOVXSKESA-N 315.333 -0.423 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cc(=O)c(OC)c[nH]2)C1 958264838 XWRDEIAHVGQDDN-GXFFZTMASA-N 305.334 -0.961 30 20 DBED CCc1cc(C(=O)NC[C@H]2CN(CC#N)C[C@@H]2O)cc(O)n1 958267368 MXCMLNDCSHMQAW-AAEUAGOBSA-N 304.350 -0.104 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](NC(=O)c2cnn(C)c2N)[C@H](C)C1 958367803 BKNKAVAOVWBCNV-IQJOONFLSA-N 304.354 -0.261 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2nc3nccc(C)n3n2)C1 958646013 ZKSZEMJBYCPBCW-NEPJUHHUSA-N 314.349 -0.912 30 20 DBED C=CCCN1C[C@H](CNC(=O)c2cccc(C(N)=O)n2)[C@@H](O)C1 958736024 HUDYJWZCGRIXTF-FZMZJTMJSA-N 318.377 -0.221 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cnco1 960673042 HKDOCCVBJDYHNW-JFGNBEQYSA-N 304.306 -0.114 30 20 DBED COc1ccc(C#N)cc1CN1C[C@H]2[C@H](NC(=O)C(N)=O)[C@H]2C1 961643408 WLVMNYWKOJKKID-IMRBUKKESA-N 314.345 -0.401 30 20 DBED N#CCN1C[C@H]2C(NC(=O)Cn3nnc4c3CCCC4)[C@@H]2C1 961786815 HAAWSLLFGXVANO-GHMZBOCLSA-N 300.366 -0.273 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CN(C(=O)[C@@H]3CCN(C)C3=O)C[C@H]2C1 962160156 RLWFAJLBOZDRDH-FVCCEPFGSA-N 318.377 -0.459 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(CC1)C[C@@H]2NC(=O)Cn1ncnn1 963878298 KBPOPUUJGBAMPR-QWRGUYRKSA-N 317.353 -0.670 30 20 DBED COCC(=O)N1CCOC[C@@H]1CNC(=O)c1c[nH]c(C#N)c1 964145208 IQCIECXMIWYDDR-LBPRGKRZSA-N 306.322 -0.510 30 20 DBED C[C@H](C#N)C(=O)N1CC2(C[C@H](NC(=O)Cn3ccnc3)CO2)C1 965728962 QOFPCZWOJGADBB-NEPJUHHUSA-N 317.349 -0.471 30 20 DBED C[C@@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)c1ncn(C)n1)C2 969806877 WEEFVGRSUPHQED-DCAQKATOSA-N 302.338 -0.210 30 20 DBED C#CCN1CC([C@H](C)NC(=O)[C@H]2CCc3nnc(O)n3C2)C1 969991451 FOGXFBGXXAXDJJ-QWRGUYRKSA-N 303.366 -0.384 30 20 DBED C=CCN1CC([C@@H](C)NC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 970195262 OJSHFEPILZKXJN-MFKMUULPSA-N 303.366 -0.012 30 20 DBED CC#CCN1CCO[C@@]2(CCN(C(=O)C[C@H]3CCC(=O)N3)C2)C1 972595574 CRWLOMKSTQJBFN-PBHICJAKSA-N 319.405 -0.018 30 20 DBED O=C(C[C@H]1CCC(=O)N1)N[C@H]1[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]21 976823384 PLMVCPLVNVSTLZ-FJZAXULXSA-N 315.373 -0.359 30 20 DBED C=CCCN1C[C@@H]2C(CNC(=O)[C@@H]3CC(=O)NC(=O)N3)[C@H]2C1 978801014 WGEFRXRFRBPAHU-UTUOFQBUSA-N 306.366 -0.545 30 20 DBED Cc1nc2nccc(C(=O)NC[C@H]3[C@@H]4CN(CC#N)C[C@H]34)n2n1 978941079 OZKNKOIMISKUDI-CNDDSTCGSA-N 311.349 -0.136 30 20 DBED N#Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)CC(N)=O)C2)[nH]1 982560438 ZTUWKPZHTHACEB-SECBINFHSA-N 303.322 -0.660 30 20 DBED Cc1c(C(=O)NC[C@@H]2CCN(C(=O)[C@H](C)C#N)C2)nnn1C 983209182 CZAIZXUUOFUKMU-KOLCDFICSA-N 304.354 -0.139 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](CN(C)C(=O)c2nnn(C)n2)C1 988290556 CDXHTJSPHODJJG-VHSXEESVSA-N 305.342 -0.710 30 20 DBED C[C@@H]1C[C@H](NCc2nnnn2C)CN1C(=O)c1ccc(C#N)[nH]1 988657774 VNSQDNMCHJIXBP-KOLCDFICSA-N 314.353 -0.197 30 20 DBED C[C@H]1C[C@H](NCC#N)CN1C(=O)c1cc(=O)n2[nH]cnc2n1 989672508 LPEMHROSPGPTDR-IUCAKERBSA-N 301.310 -0.866 30 20 DBED C#CCCN1CC[C@@]2(NC(=O)C[C@@H]3NC(=O)NC3=O)CCC[C@@H]12 991100113 MMJXASPSQYNUGQ-OZVIIMIRSA-N 318.377 -0.279 30 20 DBED COCC(=O)N1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H](O)C1 991404409 RNPBTJUJJRLJDZ-NEPJUHHUSA-N 306.322 -0.776 30 20 DBED CNC(=O)c1ccc(C(=O)NC2CN(C(=O)[C@H](C)C#N)C2)cn1 996508806 NFBDUUGZPYAISU-SECBINFHSA-N 315.333 -0.459 30 20 DBED C#CCNC1CC(N(C)C(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 999153142 XAHWQHXPZIHKLP-XIVSLSHWSA-N 301.350 -0.422 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)C(N)=O)CC[C@H]2C)cn1 1005097840 SEVVFCJVSUWFCK-ZWNOBZJWSA-N 314.345 -0.485 30 20 DBED N#Cc1cc(C(=O)N[C@]23CCC[C@H]2CN(C(=O)C(N)=O)C3)c[nH]1 1007348326 LAULEVBJWDQXHF-BONVTDFDSA-N 315.333 -0.517 30 20 DBED Cn1cc(C(=O)N2CCN(C(=O)c3ccc(C#N)[nH]3)CC2)nn1 1011017182 XKTBQEGUACWYPP-UHFFFAOYSA-N 313.321 -0.387 30 20 DBED NC(=O)N1CCC[C@H]1C(=O)N1CCN(C(=O)C#CC2CC2)CC1 1011107512 GHIGUXVUWWBMEH-ZDUSSCGKSA-N 318.377 -0.386 30 20 DBED C#Cc1cncc(C(=O)N2CCN(C(=O)Cn3cncn3)CC2)c1 1012517405 UMRNICJUZFXTGQ-UHFFFAOYSA-N 324.344 -0.361 30 20 DBED C#Cc1ccccc1CC(=O)NC1[C@H]2CN(C(=O)C(N)=O)C[C@H]12 1013521647 WNTSEJCSPWLIQG-STQMWFEESA-N 311.341 -0.731 30 20 DBED O=C1NCC[C@H]1C(=O)N1CCC2(CN(C(=O)C#CC3CC3)C2)C1 1019011229 DJBRIAPCIIUUNB-CYBMUJFWSA-N 315.373 -0.403 30 20 DBED C[C@@H](C#N)C(=O)N1CCCO[C@@H](CNC(=O)c2cnn(C)c2)C1 1019526960 PSUPLWLNTGYXMM-AAEUAGOBSA-N 319.365 -0.073 30 20 DBED C=CCN1[C@H]2CC[C@H]1CC(NC(=O)Cn1cnc(C(N)=O)n1)C2 1021263364 RQWIFSKCPIBFPX-RYUDHWBXSA-N 318.381 -0.325 30 20 DBED N#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)CN2CCNC(=O)C2)C1 1021650863 BJVJEPSVGHZRHE-UONOGXRCSA-N 319.409 -0.745 30 20 DBED C=CCn1cccc1C(=O)N1C[C@@H]2CCN(C(=O)C(N)=O)[C@@H]2C1 1022558602 JYAYBPUOFIUFJM-WCQYABFASA-N 316.361 -0.168 30 20 DBED C=CCN1[C@H]2CC[C@H]1CN(C(=O)CN1C(=O)CN(C)C1=O)C2 1029577219 JPMQMHYKZJSSGP-RYUDHWBXSA-N 306.366 -0.258 30 20 DBED N#Cc1c[nH]c(C(=O)NC2CN(CCN3CCCC3=O)C2)c1 1030194221 GJVYGGYAFMQJAY-UHFFFAOYSA-N 301.350 -0.077 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)Cc3cc(C)[nH]n3)C2)C1=O 1030208570 LQZIHMXGECHSQO-CQSZACIVSA-N 317.393 -0.152 30 20 DBED C=CCN1CC[C@H](N2CCCC[C@@H](NC(=O)C(N)=O)C2)C1=O 1034373904 ZCJCZWMWXFJGKF-NEPJUHHUSA-N 308.382 -0.771 30 20 DBED N#CCN1CCCC[C@H](NC(=O)CN2CCC(=O)NC2=O)C1 1034474853 SHYHOMXWQKJGFE-NSHDSACASA-N 307.354 -0.577 30 20 DBED N#CCN1CCO[C@H](CNC(=O)[C@H]2CCn3cncc3C2)C1 1035414506 QJPHFCONFUZYPC-GXTWGEPZSA-N 303.366 -0.214 30 20 DBED C#CCCN1CCO[C@@H](CNC(=O)c2ccnc(OC)n2)C1 1035438855 QKZBRAAGAKMTEE-LBPRGKRZSA-N 304.350 -0.061 30 20 DBED C#CCOCCC(=O)NC[C@]1(O)CCN(C(=O)c2ccc[nH]2)C1 1039719527 WJQJDAAOPAOXMD-MRXNPFEDSA-N 319.361 -0.252 30 20 DBED C=CC(C)(C)C(=O)NC[C@]1(O)CCN(C(=O)Cn2nccn2)C1 1040487964 HNJVRXONYBFBFS-OAHLLOKOSA-N 321.381 -0.430 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3CCOC3)C2)cn1 1040939300 PWLODDNWOVACND-ZLKJLUDKSA-N 302.334 -0.345 30 20 DBED N#Cc1cncc(N2C[C@@H](O)[C@H](NC(=O)c3ncccn3)C2)n1 1041137096 STRHIXSNDOTYKG-GHMZBOCLSA-N 311.305 -0.882 30 20 DBED C[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1NC(=O)[C@H]1COCCO1 1041787125 ODBWCQKLKGZSBL-IJLUTSLNSA-N 317.349 -0.295 30 20 DBED N#CCN1CC[C@H]2CCN(C(=O)c3nccnc3C(N)=O)C[C@@H]21 1042349705 SERUPMHNVRZNBZ-QWRGUYRKSA-N 314.349 -0.365 30 20 DBED C[C@]1(C(=O)N2CC(O)(CNC(=O)C#CC3CC3)C2)CCOC1 1042961384 WJSTUVVUFRFNTD-HNNXBMFYSA-N 306.362 -0.484 30 20 DBED CN(C)C(=O)CC(=O)N1CC(O)(CNC(=O)C#CC(C)(C)C)C1 1042969917 CINQBRFIINNKBJ-UHFFFAOYSA-N 323.393 -0.796 30 20 DBED C#CCCCCC(=O)N1CC(O)(CNC(=O)[C@H](C)OCC#C)C1 1043040275 PXEXHZFWHKADBB-AWEZNQCLSA-N 320.389 -0.092 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)C2CC=CC2)C1 1043040507 TULUYOFSRWFXGA-LBPRGKRZSA-N 306.362 -0.320 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)c2ccns2)C1 1043330098 JUDIUWPMLPBOLV-UHFFFAOYSA-N 323.374 -0.514 30 20 DBED C=CCCOCC(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1043567711 DXNFPBLZULQLHY-UHFFFAOYSA-N 306.362 -0.318 30 20 DBED CCOCC1(C(=O)NCC2(O)CN(C(=O)[C@@H](C)C#N)C2)CC1 1043610757 HYSRSBINCPSOHY-NSHDSACASA-N 309.366 -0.348 30 20 DBED CN(C(=O)[C@H]1CNC(=O)N1)C1CN(Cc2ccc(C#N)s2)C1 1043711358 STRJTYNVSYIDLK-GFCCVEGCSA-N 319.390 -0.056 30 20 DBED CC(C)n1cc(C(=O)NCC2(O)CN(C(=O)[C@H](C)C#N)C2)cn1 1043909178 PLOXEKKUQAXEGD-LLVKDONJSA-N 319.365 -0.073 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)c2ccncn2)C1 1044460290 NWWLTYFHLFDHDK-UHFFFAOYSA-N 304.350 -0.008 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]1(C)CCN(Cc2nnnn2C)C1 1046631293 FCOKJGQOCPMEEO-XUJVJEKNSA-N 320.397 -0.118 30 20 DBED C=CCN1CC[C@H](N2C[C@H]3CN(C(=O)CC(N)=O)C[C@H]3C2)C1=O 1048733186 CFSITTSIGYLLTC-XQQFMLRXSA-N 320.393 -0.961 30 20 DBED COCC1(C(=O)N(C)[C@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)CC1 1049075676 WADKEUIARLKVPL-SRVKXCTJSA-N 309.366 -0.397 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)CCCCC(N)=O)C[C@@H]1O 1049394862 NXTDHMYDYMHTFQ-WOPDTQHZSA-N 324.381 -0.778 30 20 DBED C[C@H](NC(=O)C#CC1CC1)[C@H]1CCN(C(=O)CNC(N)=O)C1 1049984665 VTICWJCBOAYSKA-JQWIXIFHSA-N 306.366 -0.579 30 20 DBED CN(C[C@@H]1CCCCN1C(=O)C(N)=O)c1ccc(C#N)nn1 1051345506 MHLAFDSXFCJTKW-NSHDSACASA-N 302.338 -0.349 30 20 DBED N#Cc1cccnc1N1CC[C@@H](NC(=O)c2cnon2)[C@@H](O)C1 1051719694 UYBHSLGNULSPFI-PWSUYJOCSA-N 314.305 -0.294 30 20 DBED C=CC(C)(C)C(=O)N1CCO[C@H](CNCc2nnn(C)n2)C1 1051755141 FCWVQMFDRSHQMN-LLVKDONJSA-N 308.386 -0.261 30 20 DBED C#CCN1CCN([C@@H]2CCN(C(=O)Cn3nccn3)C2)CC1 1052033789 UXYXLWXVXNRJGT-CQSZACIVSA-N 302.382 -0.870 30 20 DBED C#CCOCCC(=O)N1C[C@H](C)[C@H](CNC(=O)CC(=O)NC)C1 1052599869 QELUBXJMJILPOH-QWHCGFSZSA-N 323.393 -0.627 30 20 DBED C#CCN1CC2(C1)CN(C(=O)COc1cnn(C)c1)CCO2 1053396433 BEHDWVWPRNAYFI-UHFFFAOYSA-N 304.350 -0.655 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)[C@@H]3CCNC(=O)C3)CO2)C1 1053774715 INWFJAXBYBSPBO-CHWSQXEVSA-N 305.378 -0.505 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)[C@]3(C)CNC(=O)C3)CO2)C1 1053879678 XEMYCFTYJVHOLU-WFASDCNBSA-N 305.378 -0.505 30 20 DBED CC[C@@H](NC(C)=O)C(=O)N1C[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2C1 1055450957 XOOUNSWLNZQIQF-RUZUBIRVSA-N 320.393 -0.022 30 20 DBED N#Cc1ccc(N2C[C@H]3C(NC(=O)[C@@H]4CCNC4=O)[C@@H]3C2)cn1 1056356915 XMLCCDKTAVFLGP-JHJVBQTASA-N 311.345 -0.360 30 20 DBED O=C(C#CC1CC1)N1CCCN(c2nccn3nnnc23)CC1 1057134545 LCXXMYWSIGMKDA-UHFFFAOYSA-N 311.349 -0.029 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)CN1CCCC1=O 1057170003 SAPRYBMTWLWXHE-UHFFFAOYSA-N 311.382 -0.488 30 20 DBED N#Cc1c[nH]c(C(=O)N(CCO)CCNC(=O)[C@@H]2CCCO2)c1 1057291899 UMAXNEMXDQXPEJ-ZDUSSCGKSA-N 320.349 -0.384 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)CCc1cnc[nH]1 1057900098 LBSACMYFCKKMCV-UHFFFAOYSA-N 324.381 -0.518 30 20 DBED C=CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)Cn1ccnc1 1057922776 FICAZZAMBYCHEE-ZDUSSCGKSA-N 324.381 -0.589 30 20 DBED N#Cc1cncc(N2CC[C@H](NC(=O)C[C@@H]3COC(=O)C3)C2)n1 1058325787 GBAWWNRFOUVBLN-QWRGUYRKSA-N 315.333 -0.004 30 20 DBED C=C[C@@H](C)[C@@H](C)C(=O)N(CCO)CCNC(=O)CNC(N)=O 1058433284 MZHCVQSOHHYOIF-GHMZBOCLSA-N 314.386 -0.950 30 20 DBED Cn1cc(C(=O)N[C@@H]2CCN(c3cnc(C#N)cn3)C2)nc1O 1058532708 IHWVECAXLRUNQV-SECBINFHSA-N 313.321 -0.204 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)c1ccc(O)nc1 1058656677 IMBBLPRJRIBZNE-SNVBAGLBSA-N 306.322 -0.502 30 20 DBED N#Cc1nccnc1N1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1nccn1 1058779435 ROQDUIJDMYRBRX-TXEJJXNPSA-N 324.348 -0.180 30 20 DBED N#Cc1cnc(N[C@H]2C[C@H](NC(=O)[C@@H]3CCC(=O)NC3)C2)cn1 1059457175 ANQATJWYUJDPBQ-GMTAPVOTSA-N 314.349 -0.066 30 20 DBED C=CCCOCC(=O)N1CCOC[C@H]1CNC(=O)COC 1061181897 POKWJSGVFIROJP-GFCCVEGCSA-N 300.355 -0.431 30 20 DBED C=CCOCC(=O)NC[C@@H]1COCCN1C(=O)COCCC 1061421453 PPFVYSQZOCOFOX-CYBMUJFWSA-N 314.382 -0.041 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)C(C)(C)C(N)=O)CCO1 1065263747 XSTCUNXQXCUEHJ-LBPRGKRZSA-N 323.393 -0.355 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)Cn2cccn2)C1 1065557153 NTMYWHAPDUDDKB-NEPJUHHUSA-N 305.338 -0.614 30 20 DBED N#Cc1nccc(N2CCOC[C@H]2CNC(=O)[C@@H]2CCOC2)n1 1066469800 HOIIGZDVTQKDMU-VXGBXAGGSA-N 317.349 -0.294 30 20 DBED C#CCCCC(=O)N1CCOC2(C1)CN(C(=O)CNC(C)=O)C2 1068386832 GIAWFVASJSOUFO-UHFFFAOYSA-N 321.377 -0.634 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@H](C)n2cncn2)C[C@@H]1n1ccnn1 1070179801 IFCJJLMYONOKDY-XQQFMLRXSA-N 314.353 -0.895 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)[C@@H]2CCNC2=O)CCOCC1 1070185562 BGSQDTNETIUAFF-WDEREUQCSA-N 322.365 -0.936 30 20 DBED C=CCCOCC(=O)N1C[C@@H](NC(=O)Cn2nccn2)[C@H](C)C1 1072335713 GGEHDTDJJVHNFD-CHWSQXEVSA-N 321.381 -0.166 30 20 DBED C[C@H]1CN(C(=O)c2nnn(C)n2)CC[C@@H]1NC(=O)C#CC1CC1 1073955494 WRGWFEZZUONQEA-JQWIXIFHSA-N 316.365 -0.410 30 20 DBED C=CCOCC(=O)N1CC[C@@H](NC(=O)Cn2cncn2)[C@H](C)C1 1074254703 SXRPLLHZAYKZQU-CHWSQXEVSA-N 321.381 -0.166 30 20 DBED N#CCN1CCO[C@H]2CCN(C(=O)c3cc(C(N)=O)co3)C[C@H]21 1074338965 PJPYEOMGJOCQAI-NEPJUHHUSA-N 318.333 -0.183 30 20 DBED C=C(C)CCC(=O)NCC1(O)CCN(C(=O)CC(N)=O)CC1 1074526308 SCQBQHGWCMNLCQ-UHFFFAOYSA-N 311.382 -0.312 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H](C)CCNC(=O)CC(=O)N(C)C 1076568327 DGOAVHRBRCJLGS-NHYWBVRUSA-N 313.398 -0.197 30 20 DBED C=CCO[C@@H](C)C(=O)NCC[C@H](C)NC(=O)[C@@H]1CCC(=O)N1 1077066190 JDXKMSURHOAUTF-SRVKXCTJSA-N 311.382 -0.133 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2c[nH]nc2[C@H]2CCCO2)C1 1077560751 FKFFLYYQKFDNQC-JHJVBQTASA-N 304.350 -0.331 30 20 DBED C=CCn1cc(C(=O)N[C@H]2C[C@@H](NCC(N)=O)C23CCC3)nn1 1078743651 GQLGSDANOQONAP-NEPJUHHUSA-N 318.381 -0.420 30 20 DBED C#CCNC(=O)CC(=O)N1CC(N(CC)C(=O)C2CCC2)C1 1079179822 PPBGOGBRTJGJKR-UHFFFAOYSA-N 305.378 -0.015 30 20 DBED C=CCOCC(=O)N1CC(N(CC)C(=O)c2cnnn2C)C1 1079700440 ZFNHRLDVUDVNRC-UHFFFAOYSA-N 307.354 -0.309 30 20 DBED CCN(C(=O)[C@]1(C)CCC(=O)N1)C1CN(C(=O)[C@@H](C)C#N)C1 1080487124 LZKZTVBSSSMTFG-BONVTDFDSA-N 306.366 -0.126 30 20 DBED C#CCN1C[C@@H](NC(=O)Cc2c(C)nc(O)nc2O)[C@H](C)C1 1080663994 BLAZRIMMQFOQFW-BXKDBHETSA-N 304.350 -0.192 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)c2cnn[nH]2)C[C@@H]1O 1081466929 ZFOKTYSPLFEKLZ-PWSUYJOCSA-N 305.338 -0.987 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(C(=O)Cc2cnoc2)C[C@@H]1O 1081473650 JEXJDHMAHSKAQN-KBPBESRZSA-N 317.345 -0.434 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)C[C@@H]1CCNC1=O 1083103893 KHZTUIRTRPXAES-MELADBBJSA-N 305.378 -0.553 30 20 DBED CC(=O)N1CCC[C@@H]1C(=O)N1CCO[C@@H]2CN(CC#N)C[C@@H]21 1083286396 HTQYTUPGIRCXGE-HZSPNIEDSA-N 306.366 -0.568 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2ccc(-n3ccnc3)cn2)C1 1083946693 XOYLQUVOHOGCMS-CABCVRRESA-N 311.345 -0.325 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)c2cccnc2N(C)C)C1 1084055303 KLHADNGPIBUYMT-KGLIPLIRSA-N 302.378 -0.054 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)CN2CCc3sccc3C2)C1 1084083412 IZNWISNIOPYAQR-KGLIPLIRSA-N 319.430 -0.099 30 20 DBED C#CCN1CC[C@H]1CN(C)C(=O)[C@@H]1CCc2nnc(O)n2C1 1085680897 OVNDBGPLGXLDQO-NEPJUHHUSA-N 303.366 -0.288 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2nnn(C(C)(C)C)n2)[C@@H](O)C1 1090278931 IDTQXPVHIIQPDC-NEPJUHHUSA-N 320.397 -0.384 30 20 DBED CC#CCN1CC[C@@H](NC(=O)C(C)(C)N2CCOCC2)[C@@H](O)C1 1090641413 PFWPROPLVIRGDX-CABCVRRESA-N 323.437 -0.328 30 20 DBED CCN(C)CCC(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@@H]1O 1091137632 PSSGSVAMWLKNJS-OLZOCXBDSA-N 318.381 -0.644 30 20 DBED Cn1nnc2c1C[C@@H](C(=O)NCC1CC(NCC#N)C1)CC2 1091203282 PCJHZXFAHYGQFR-CXQJBGSLSA-N 302.382 -0.072 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)Cc3cnc[nH]3)c3nccn32)C1 1092400745 QKELRPIBVIDAOD-LBPRGKRZSA-N 311.349 -0.056 30 20 DBED Cc1ccc(C#N)c(N2C[C@@H]3C(NC(=O)CNC(N)=O)[C@H]3C2)n1 1093209962 JPRDACSYXGGHCA-QWRGUYRKSA-N 314.349 -0.519 30 20 DBED Cn1cc(C(=O)NCCNc2ccc(C#N)nn2)n(C)c1=O 1093684101 RSWDPAQZKBRENZ-UHFFFAOYSA-N 301.310 -0.773 30 20 DBED CCN1CCOC[C@H]1C(=O)NCCN=c1cc[nH]cc1C#N 1093976800 FBPLVUSYPMMEMK-AWEZNQCLSA-N 303.366 -0.376 30 20 DBED C[C@H](C(=O)NCCNc1nccnc1C#N)N1C(=O)CCC1=O 1094201976 YPJROQOLUFCEDC-SECBINFHSA-N 316.321 -0.586 30 20 DBED N#CCN1CC(n2cc(CNC(=O)c3cnns3)nn2)C1 1094277702 URMPVKOITMUHEQ-UHFFFAOYSA-N 304.339 -0.560 30 20 DBED C#CCN1CC(n2cc(CNC(=O)[C@H]3C[C@H]4C=C[C@H]3O4)nn2)C1 1094301836 GNUQJUJWSYVECK-QLFBSQMISA-N 313.361 -0.272 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(CC2CC2)[C@H]2CS(=O)(=O)C[C@H]21 1094614364 CVBFZYWLUULHFW-WCFLWFBJSA-N 311.407 -0.134 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)c3ccn(C)c3C)CC2=O)C1 1094781983 GFYROJLZJUZBAW-CYBMUJFWSA-N 314.389 -0.018 30 20 DBED C=CCCN1CC(N2C[C@H](NC(=O)[C@@H]3CCN(C)C3)CC2=O)C1 1094815397 RVRAYSRSUGQCDH-ZIAGYGMSSA-N 320.437 -0.085 30 20 DBED C[C@@H](CC(=O)NCCCN(C)c1nccnc1C#N)NC(N)=O 1095640705 ZMAQONJNBASKNQ-JTQLQIEISA-N 319.369 -0.262 30 20 DBED Cc1cc(C#N)nc(N2CC[C@@H](NC(=O)CNC(N)=O)C2)n1 1096322364 HGGSDVFOUZUGQK-SECBINFHSA-N 303.326 -0.980 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1CCN(C(=O)CCNC(N)=O)C1 1096938469 XFLCPLCTECPIJD-NSHDSACASA-N 302.338 -0.554 30 20 DBED Cn1cc(C(N)=O)cc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC#N 1097447678 PVAJZGUFEIFYHU-UTUOFQBUSA-N 301.350 -0.017 30 20 DBED C[C@@H](CNC(=O)[C@@H]1COCCN1C)N=c1cc[nH]c(C#N)n1 1097764263 DJOGLBGVBBNKNF-QWRGUYRKSA-N 304.354 -0.983 30 20 DBED C[C@H](CNC(=O)CCc1nc[nH]n1)N=c1cc[nH]c(C#N)n1 1097778812 AJFJTIAHLZSWJS-SECBINFHSA-N 300.326 -0.562 30 20 DBED Cc1nc(CC(=O)NC[C@H](C)Nc2ccc(C#N)nn2)n[nH]1 1097806850 XBHZCZOMIXUSKM-QMMMGPOBSA-N 300.326 -0.066 30 20 DBED CNS(=O)(=O)CC(=O)NC[C@@H](C)Nc1ccc(C#N)cn1 1097864010 PXSXDQVNUOHNCS-SECBINFHSA-N 311.367 -0.581 30 20 DBED C#CCCN(CCO)C1CCN(C(=O)[C@H](C)NC(N)=O)CC1 1098351058 GQPCMYVPRUZPBB-LBPRGKRZSA-N 310.398 -0.648 30 20 DBED C#CCN(CCO)C1CCN(C(=O)C2(C(=O)N(C)C)CC2)CC1 1098529221 YMWORYVTDSGIPW-UHFFFAOYSA-N 321.421 -0.227 30 20 DBED C[C@H](CCNC(=O)[C@H]1COCCN1C)Nc1nccnc1C#N 1099021070 MIVGDWBQEJILJQ-DGCLKSJQSA-N 318.381 -0.014 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)c2occc2C)[C@H](O)C1 1099662979 HKEIMHQULDAEAR-QWHCGFSZSA-N 319.361 -0.498 30 20 DBED CC(C)(C)C#CC(=O)N[C@@H]1CCN(CC(=O)N2CCC2)C[C@H]1O 1099826891 RQNYLFVIBNJCML-ZIAGYGMSSA-N 321.421 -0.180 30 20 DBED C=CCN1CC[C@@H](NC(=O)CS(=O)(=O)CCC)[C@H](O)C1 1100117170 DAGGXPBFBBAHDR-VXGBXAGGSA-N 304.412 -0.451 30 20 DBED CN(CCNC(=O)c1cn(C)ccc1=O)c1nccnc1C#N 1100421391 NXDCTZZPMGOVLE-UHFFFAOYSA-N 312.333 -0.087 30 20 DBED COC(=O)NCC(=O)NC[C@H]1CCCN1c1ccnc(C#N)n1 1100802619 QQNQPUOZMBLXQR-SNVBAGLBSA-N 318.337 -0.211 30 20 DBED CC#CCNC1CC(CNC(=O)c2cc(=O)n3[nH]cnc3n2)C1 1100863515 QKHFDXXCPFJIHO-UHFFFAOYSA-N 314.349 -0.461 30 20 DBED CN(C)C(=O)CC(=O)NC[C@@H]1CCN(c2ccnc(C#N)n2)C1 1101060696 ICUXZWHYOXVTHM-NSHDSACASA-N 316.365 -0.231 30 20 DBED CCNC(=O)CC(=O)N[C@@H]1CC2(CN(CC#N)C2)n2ccnc21 1101624043 NXECMDJIHXQMNE-LLVKDONJSA-N 316.365 -0.495 30 20 DBED CNC(=O)CC(=O)NCC[C@@H]1CCN(c2cnc(C#N)cn2)C1 1102311710 FBNTVSXJGPALPD-LLVKDONJSA-N 316.365 -0.183 30 20 DBED CC#CCN1C[C@@H](C)[C@H](CNC(=O)CN2CC(=O)N(C)C2=O)C1 1102511007 FQUUCVCSWWSGBA-CHWSQXEVSA-N 320.393 -0.412 30 20 DBED N#Cc1ccc(N2CCCC[C@H](NC(=O)CC(N)=O)C2)nn1 1102863473 XSWRUMCCINAHHG-NSHDSACASA-N 302.338 -0.301 30 20 DBED C=CCN1C[C@@H](C)[C@H](CCNC(=O)CNS(=O)(=O)NC)C1 1103271455 OWKQVPVMEFCNQJ-VXGBXAGGSA-N 318.443 -0.700 30 20 DBED C[C@H](CNc1ccc(C#N)nn1)N(C)C(=O)[C@H]1CN(C)CCO1 1104538176 LMGAZHKBXQMRSS-DGCLKSJQSA-N 318.381 -0.062 30 20 DBED CNC(=O)NCC(=O)N(C)[C@@H](C)CNc1nc(C)cc(C#N)n1 1104856287 NKBBFLJJUDAMHE-JTQLQIEISA-N 319.369 -0.156 30 20 DBED C=CCNCc1cn(C2CN(C(=O)C3=COCCO3)C2)nn1 1105142737 SHBICWWIJDQNHF-UHFFFAOYSA-N 305.338 -0.175 30 20 DBED CC(C)[C@H](CNC(=O)[C@@H]1CNC(=O)N1)N=c1cc[nH]c(C#N)n1 1105278059 UFJNFLDSHUVVMB-UWVGGRQHSA-N 317.353 -0.996 30 20 DBED Cc1cc(C#N)nc(N(C)CCN(C)C(=O)Cn2cncn2)n1 1105403483 CWGUYTGVQZPPAK-UHFFFAOYSA-N 314.353 -0.157 30 20 DBED Cc1nc(C(=O)NC[C@H](O)CN=c2cc[nH]cc2C#N)co1 1105798875 NWXDVWZEXLLRSC-LLVKDONJSA-N 301.306 -0.126 30 20 DBED Cc1cc(C#N)nc(NC[C@H](O)CNC(=O)CN(C)C(C)C)n1 1105869410 RRKDUHQYMVQOIS-CYBMUJFWSA-N 320.397 -0.114 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)CCOCC)C[C@H]1C 1105927084 WQDWYJQXOAWXSD-ZIAGYGMSSA-N 309.410 -0.154 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)c2n[nH]cc2F)C[C@H]1C 1106636786 STYYGSJCFWWEBZ-GHMZBOCLSA-N 321.356 -0.404 30 20 DBED Cc1cc(=NC/C=C/CNC(=O)CNC(N)=O)c(C#N)c[nH]1 1107069417 CJIVKOVFZMPPJK-NSCUHMNNSA-N 302.338 -0.564 30 20 DBED CNS(=O)(=O)CC(=O)NC/C=C\CNc1ncccc1C#N 1107215001 WFNSTWDRWGMDOL-IHWYPQMZSA-N 323.378 -0.413 30 20 DBED CN(C)C(=O)CC(=O)NC/C=C/CNc1cncc(C#N)n1 1107537663 KUMDEZVUVGRTID-ONEGZZNKSA-N 302.338 -0.089 30 20 DBED C=CCN1CCO[C@](C)(CNC(=O)c2nccnc2C(N)=O)C1 1108388190 YBGHJNNSDJTOOV-OAHLLOKOSA-N 319.365 -0.418 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)[C@H]2CCC(=O)N(C)C2)C1 1108422515 VUFSUTHPNBNUJI-BBRMVZONSA-N 307.394 -0.305 30 20 DBED C[C@]1(CNC(=O)c2ccc(C(N)=O)nc2)CN(CC#N)CCO1 1108439408 JOBXTCJPNIZMMN-HNNXBMFYSA-N 317.349 -0.475 30 20 DBED CCOCC1(C(=O)N[C@H]2CC(=O)N(C3CN(CC#N)C3)C2)CC1 1108553358 LCBDZAPBVUOHNK-LBPRGKRZSA-N 320.393 -0.272 30 20 DBED C[C@@H](CN=c1cc[nH]cc1C#N)NC(=O)[C@]1(C)CNC(=O)C1 1108610735 MYVLOKAGEMBTHI-BONVTDFDSA-N 301.350 -0.182 30 20 DBED C[C@H](CN(C)c1ccc(C#N)nn1)NC(=O)CCn1ccnn1 1108917338 BHYFVQPMYAYDLR-LLVKDONJSA-N 314.353 -0.029 30 20 DBED C[C@H](CN(C)c1ccc(C#N)nn1)NC(=O)[C@@H]1COCCN1C 1108943235 OFKACKXQIKHGDH-YPMHNXCESA-N 318.381 -0.380 30 20 DBED C[C@@H](CN(C)c1ccnc(C#N)n1)NC(=O)[C@@H]1CCC(=O)N1C 1109179241 OCRCZFFYWMSMIA-QWRGUYRKSA-N 316.365 -0.090 30 20 DBED CN(CCCNc1nccnc1C#N)C(=O)[C@H]1CNC(=O)N1 1109598488 CZGHSEQRWIVYBR-SNVBAGLBSA-N 303.326 -0.710 30 20 DBED CCc1nc(C#N)cc(N2CC[C@](O)(CNC(=O)COC)C2)n1 1111033563 RNOBRMMFBJOEPE-HNNXBMFYSA-N 319.365 -0.386 30 20 DBED COC[C@@H](OC)C(=O)N(CCO)CCNc1ccc(C#N)nn1 1111557147 JOKOZXOIVGJWQY-GFCCVEGCSA-N 323.353 -0.758 30 20 DBED CC(C)[C@@H](O)C(=O)N[C@]12CCC[C@H]1CN(CC(=O)NCC#N)C2 1111734373 WWKAGARMQWRQBK-BJJXKVORSA-N 322.409 -0.386 30 20 DBED C[C@H]1CN(C(=O)CCNC(N)=O)C[C@H]1Nc1cnc(C#N)cn1 1112312297 FCKHNNPGLGGECY-GXSJLCMTSA-N 317.353 -0.335 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)CN2CCC[C@H]2C)CC1 1113346404 YXBUYDRZWUGCJJ-CABCVRRESA-N 320.437 -0.247 30 20 DBED CCn1ccc(C(=O)N2CCN(CC(=O)NCC#N)CC2)n1 1113402766 FLEOGUWJRPNAQF-UHFFFAOYSA-N 304.354 -0.699 30 20 DBED C#Cc1ccc(C(=O)N2CCN(C[C@H](O)COC)CC2)nc1 1113559419 SOJGPRORWGAQGA-AWEZNQCLSA-N 303.362 -0.172 30 20 DBED C=CCN1CC[C@H](N2C[C@H]3C(NC(=O)COCC)[C@@H]3C2)C1=O 1113823525 XHAGVSMTMGTPCX-UPJWGTAASA-N 307.394 -0.144 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3cn(C)cn3)[C@H]2C1 1114139970 XMYUIQHSQGJRQB-YABSGUDNSA-N 303.366 -0.618 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@H]1[C@@H]2CN(CC(=O)NC(C)C)C[C@@H]21 1114195028 ZLZLOQRONPVBCM-OJDYBEQGSA-N 309.410 -0.116 30 20 DBED CC(C)C#CC(=O)NC1[C@H]2CN(CCN3C(=O)CNC3=O)C[C@H]12 1114247972 SAQWWARVQCHBAM-RYUDHWBXSA-N 318.377 -0.756 30 20 DBED C#CCOCCC(=O)NC1[C@H]2CN(Cc3cnn(C)n3)C[C@H]12 1114265766 IPZNAEIBPCSEKC-STQMWFEESA-N 303.366 -0.599 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)C[C@H]3CCN(C)C3=O)[C@@H]2C1 1114445168 LILJSJIRQFYKLS-MGPQQGTHSA-N 319.405 -0.449 30 20 DBED C=CCCCC(=O)N[C@H]1[C@@H]2CN(CCNS(C)(=O)=O)C[C@@H]21 1114759279 GGNWYCRXSSBPCP-IMRBUKKESA-N 315.439 -0.062 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)CN3CC[C@@H](C)C3)[C@H]2C1 1114831634 DRMVIRMOPIFSDF-WVZRYYJFSA-N 318.421 -0.876 30 20 DBED C=CCCCN1C[C@H]2C(NC(=O)CN3CCC(=O)NC3=O)[C@@H]2C1 1115083003 CFRPKOUQJGXJJC-VXGBXAGGSA-N 320.393 -0.059 30 20 DBED C#CCNC(=O)CNC1(CNC(=O)c2cnon2)CCCCC1 1115781918 WVZGUSNECUJQBO-UHFFFAOYSA-N 319.365 -0.159 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N[C@H]2CCCOCC2)nn1 1118112074 FQLIIXOUFXXKRY-NSHDSACASA-N 307.354 -0.234 30 20 DBED C[C@@H]1CCN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)[C@@H]1CO 1118986318 ITVHGJVOUZTRDE-MRVWCRGKSA-N 320.393 -0.586 30 20 DBED C#CCN(C(=O)C(=O)N1CCN(CC(C)(C)O)CC1)C(C)C 1120397037 WERVHQZVTCBBAI-UHFFFAOYSA-N 309.410 -0.228 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)COCC2CC2)nn1 1121092865 UAWKJUQDEXEUSX-GFCCVEGCSA-N 305.338 -0.336 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)C2=CCOCC2)nn1 1121339107 FSIGTKBKYLBCOQ-GFCCVEGCSA-N 303.322 -0.416 30 20 DBED N#Cc1cncc(N[C@@H](CO)CNC(=O)C2=CCOCC2)n1 1121339906 OLRNTKFWDFQGHO-GFCCVEGCSA-N 303.322 -0.416 30 20 DBED CNC(=O)CC(=O)NC[C@H](CO)Nc1cccc(F)c1C#N 1121370758 HBSARQXQSDMSPE-SECBINFHSA-N 308.313 -0.278 30 20 DBED CCn1ncc(C(=O)NC[C@H](CO)Nc2ncccc2C#N)n1 1121472090 MOUUFTSSZYDJJZ-LLVKDONJSA-N 315.337 -0.233 30 20 DBED CCOCC1(C(=O)NC[C@@H](CO)N=c2cc[nH]c(C#N)n2)CC1 1122190357 OPEWKGBRXXOMHZ-NSHDSACASA-N 319.365 -0.524 30 20 DBED CO[C@H](C)CC(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1 1122408233 LNLDLAUALMVZFO-ZJUUUORDSA-N 302.352 -0.623 30 20 DBED CO[C@@H](C(=O)NC[C@H](CO)Nc1ccc(C#N)nn1)C(C)C 1122445930 WSLOBIKOVMPIGO-DGCLKSJQSA-N 307.354 -0.092 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@H](CO)Nc1cc(F)ncn1 1122768913 FJZCCFXDVHMODG-RYUDHWBXSA-N 321.356 -0.398 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C[C@@H](O)CNc1cnc(F)cn1 1124519028 GONIMTTYKXAXHY-QWRGUYRKSA-N 310.329 -0.115 30 20 DBED CN(C[C@@H](O)CNc1cnc(C#N)cn1)C(=O)[C@@H]1[C@H]2COC[C@H]21 1124653893 HDHLBNLVILFZNU-CIQGVGRVSA-N 317.349 -0.528 30 20 DBED CC(=O)NCC(=O)NCC1=CCN(c2cncc(C#N)n2)CC1 1127531478 MELBTYJMDKWEGT-UHFFFAOYSA-N 314.349 -0.263 30 20 DBED CC#CCN[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1c1cn(C)cn1 1130695246 JLHFRZXPHQKBRX-WCQYABFASA-N 313.365 -0.241 30 20 DBED C=C(C)CN1C[C@H]2C[C@@H]3CN(C(=O)CNC(N)=O)C[C@@]3(C1)O2 1131178366 VWKCYBNKDCKDSJ-LALPHHSUSA-N 308.382 -0.468 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC(=O)NCCN(CC#C)CC1 1131364231 JYBMVBVJGUSMBK-AWEZNQCLSA-N 305.378 -0.692 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)CCCCC(N)=O)CC1 1131390881 PFDBNSCSMGGOIR-UHFFFAOYSA-N 322.409 -0.684 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@H]1CCc2nncn2CC1 1131503645 BJLDGAVITPMZNE-LBPRGKRZSA-N 320.397 -0.761 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1131524366 DWOFVEGPDUKCRG-PRFQISJJSA-N 305.378 -0.747 30 20 DBED C#CCNC(=O)CNCCNC(=O)C1(CN(C)C)CCCCC1 1131793791 CKQUTOIJYHSROL-UHFFFAOYSA-N 322.453 -0.046 30 20 DBED Cc1c[nH]c(C(=O)N[C@H]2CC[C@@H](C)N(CC(=O)NCC#N)C2)n1 1132348374 LNNMNZOTYLTLKN-NEPJUHHUSA-N 318.381 -0.059 30 20 DBED COCC#CCN1C[C@@H](NC(=O)Cc2nc[nH]n2)CC[C@H]1C 1132416412 FCOAATAAMRWRMR-OLZOCXBDSA-N 305.382 -0.034 30 20 DBED C=C[C@@H](C)[C@H](C)C(=O)NCCNCC(=O)N1CCNC(=O)C1 1132569456 RUMREYKNMFAIHI-NEPJUHHUSA-N 310.398 -0.891 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)COC[C@H]1CCOC1 1134655965 QSIGSJHSSBWTFC-STQMWFEESA-N 313.398 -0.564 30 20 DBED COCC#CCNCCNC(=O)[C@]1(C)CCCS1(=O)=O 1135159461 UQHJIVAYDSXBSI-ZDUSSCGKSA-N 302.396 -0.691 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)c1cn(CC)nn1 1135806897 LDUPBHVYNONBIE-RYUDHWBXSA-N 320.397 -0.466 30 20 DBED C#CCCN[C@H](C)C[C@@H](C)NC(=O)CN1CCC(=O)NC1=O 1135893441 LXYCTHYZRCCEBM-VXGBXAGGSA-N 308.382 -0.176 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cccc2nsnc12 1146281379 PZTNQFJYJZRANI-UHFFFAOYSA-N 317.374 -0.240 30 20 DBED CCn1ncc(C(=O)NCCNCC(=O)NCC#N)c1C1CC1 1147230461 KCJCASQHDCYIPE-UHFFFAOYSA-N 318.381 -0.260 30 20 DBED CC[C@@H](C(N)=O)N1CCCO[C@@H](CNC(=O)C#CC2CC2)C1 1149701242 QPVLXNOZRQWRPY-KBPBESRZSA-N 307.394 -0.129 30 20 DBED CC[C@@]1(C(=O)NC[C@@H]2CN(CC#N)CCCO2)CCNC1=O 1149876390 ZDRWVPLCDPVFEL-IUODEOHRSA-N 308.382 -0.367 30 20 DBED COCC#CCN1CCCO[C@@H](CNC(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1150116099 OSLMYZRBFUFDAU-CAOSSQGBSA-N 322.405 -0.264 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)[C@H](CC(C)C)C(N)=O)C1 1150831302 LHWTUPCKKVQAFV-UONOGXRCSA-N 309.410 -0.026 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H](C)N(CC)Cc1ncnn1C 1152854722 BYKLPMNICICWKG-GFCCVEGCSA-N 320.397 -0.719 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)[C@@H](CC(C)C)C(N)=O)C1=O 1153795583 SXJKKFJBWRUKKC-STQMWFEESA-N 324.425 -0.373 30 20 DBED C#CCNC(=O)CC(=O)NCCCNCc1cc2n(n1)CCC2 1156847655 DBAGGKPKXHSEOA-UHFFFAOYSA-N 317.393 -0.435 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)c1cnnc(C)c1 1157093316 BLDYRWFFUTYEQP-GFCCVEGCSA-N 303.366 -0.368 30 20 DBED C#CCNC(=O)CNCCCNC(=O)Cc1cnn(C)c1C 1159588125 DQQOAWIVGPRKCT-UHFFFAOYSA-N 305.382 -0.884 30 20 DBED C#CCNCC1(CCNC(=O)CNS(=O)(=O)CC)CC1 1165293763 RTHDKPYITIQUQY-UHFFFAOYSA-N 301.412 -0.565 30 20 DBED COCCN1C[C@@H](C(=O)NCCC2(CNCC#N)CC2)CC1=O 1165305964 DQCSPQSMNKMOEF-ZDUSSCGKSA-N 322.409 -0.119 30 20 DBED C=CCNC(=O)CNCC1(CCNC(=O)[C@H]2CCNC2=O)CC1 1166560289 LTLXQLGIOKZWTN-LBPRGKRZSA-N 322.409 -0.699 30 20 DBED CC#CCNCCCC[C@@H](C)NC(=O)Cn1ncn(C)c1=O 1171612016 ZRYQWQTVOKQBFJ-CYBMUJFWSA-N 307.398 -0.130 30 20 DBED CC(C)C#CC(=O)N1CC[C@@H]2OCCN(CCOCCO)[C@H]2C1 1177020441 ZKBNDAUFJJVVQC-HOTGVXAUSA-N 324.421 -0.044 30 20 DBED CN(CC(=O)N1CC[C@@H]2OCCN(CC#N)[C@H]2C1)C(=O)C1CC1 1177029824 JPSQQVBSBYRGEK-KBPBESRZSA-N 320.393 -0.320 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)CCCCC(=O)NC 1177244808 PJEOCCJTURXDFO-CYBMUJFWSA-N 324.425 -0.473 30 20 DBED C=CCNC[C@@H]1C[C@H]2CC[C@H]1N(C(=O)CN1CC(=O)NC1=O)C2 1177914010 JSGJLCMVHJQNLE-FRRDWIJNSA-N 320.393 -0.059 30 20 DBED C[C@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)c1cnnc(O)c1 1178949421 YEYRDBZIFORAJB-ONGXEEELSA-N 318.337 -0.985 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2cnns2)C1 1181250750 HDWBLZGJZRQUSO-VHSXEESVSA-N 307.379 -0.520 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2nccnc2N)C1 1181717043 ZHXYWVUQPZGWDL-WDEREUQCSA-N 316.365 -0.999 30 20 DBED Cc1[nH]nc(C(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)c1C 1181741294 YUBGWUUCYIGDFC-LLVKDONJSA-N 304.354 -0.530 30 20 DBED CS(=O)(=O)CCN[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 1182051137 JKWZYEYPZLZFBV-LLVKDONJSA-N 310.379 -0.265 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)C(C)(C)COC)C1 1184259172 WTCNFKFFKXUOOL-CHWSQXEVSA-N 309.410 -0.013 30 20 DBED C[C@@H]1CN(C(=O)CN2CCN(C)C(=O)C2)CC[C@H]1CNCC#N 1184691768 AUHWREOEDJQXOD-KGLIPLIRSA-N 321.425 -0.642 30 20 DBED C=CCCN[C@@H]1CCN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 1186405311 UWGVNWRVKUEOHC-LLVKDONJSA-N 316.365 -0.162 30 20 DBED C=CCCN1C[C@@H]2CCN(C(=O)CN(C)S(C)(=O)=O)[C@@H]2C1 1188107258 MGQLOIQLHHBMEX-QWHCGFSZSA-N 315.439 -0.013 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2cnnn2CC)C1 1189984719 VUBBHQGHVNXSMT-GFCCVEGCSA-N 320.397 -0.254 30 20 DBED N#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)CCc2ccco2)C1 1191011123 FKTLARDCQFDEGU-CHWSQXEVSA-N 320.349 -0.987 30 20 DBED C#CCN(C)[C@@H]1CCN(C(=O)CCCn2c(O)nnc2O)C1 1191053384 XYFNXVFEXDBHBX-LLVKDONJSA-N 307.354 -0.365 30 20 DBED CN(CC(=O)NCC#N)[C@@H]1CCN(C(=O)COCC(F)F)C1 1191514566 DZWJNOLEVJGITB-SNVBAGLBSA-N 318.324 -0.559 30 20 DBED CC[C@H](NC(C)=O)C(=O)N1CC[C@@H](N(C)CC(=O)NCC#N)C1 1192464249 HVEFZWRMJIVFFO-OLZOCXBDSA-N 323.397 -0.926 30 20 DBED C=CCC(C)(C)C(=O)N[C@@H]1CN(CCN2CCNC2=O)C[C@H]1O 1196474412 JBURNWBGGQLPLA-CHWSQXEVSA-N 324.425 -0.225 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@H](CCCC)NC(N)=O)C1 1199345784 PXZHGHCRLNNCIB-YNEHKIRRSA-N 310.398 -0.602 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)CS(C)(=O)=O)CCCO1 1199997847 AKGBXUOMFQYSMD-GFCCVEGCSA-N 302.396 -0.739 30 20 DBED C#CCNC1CCN(C(=O)C(C)(C)NS(C)(=O)=O)CC1 1202826617 GOYXDIPCDVZDCG-UHFFFAOYSA-N 301.412 -0.472 30 20 DBED CC#CCN[C@H]1C[C@H](NC(=O)Cn2ncn(C)c2=O)C12CCC2 1203096300 YOSIPSHATVEMPE-STQMWFEESA-N 317.393 -0.378 30 20 DBED C=CCOCC(=O)N1C[C@H]2CC[C@H]1[C@H](NCC(=O)NCC#N)C2 1204134437 GSQPVXJGUYZHKM-MJBXVCDLSA-N 320.393 -0.202 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)[C@@H]2CO[C@H](C)C2)CC1 1205552634 JMGDPLBULMQRMK-HIFRSBDPSA-N 321.421 -0.011 30 20 DBED C=CCCNCC1CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)CC1 1206508026 UDNCLFBUDSKTCN-AWEZNQCLSA-N 324.425 -0.229 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 1207688061 LKEMCEBFMCKXJQ-UONOGXRCSA-N 308.426 -0.037 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@H](NCc2nncn2C)C1 1207869045 CBFMVIDAUCTKGM-LBPRGKRZSA-N 318.381 -0.965 30 20 DBED CCC(=O)N[C@@H]1CN(CC(=O)N(CC)CCC#N)C[C@H]1OC 1211738545 HXQYSKIUNKGVDQ-CHWSQXEVSA-N 310.398 -0.026 30 20 DBED COCC#CCN1C[C@@H](NC(=O)c2[nH]nnc2C)[C@H](OC)C1 1213250766 KTZYFJRRZAHHLW-VXGBXAGGSA-N 307.354 -0.808 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@@H](NCC(=O)NCC=C)[C@H](C)C1 1214602603 VJAYMAGRDGPJLY-MGPQQGTHSA-N 307.394 -0.237 30 20 DBED CCc1n[nH]cc1C(=O)N1C[C@@H](NCC(=O)NCC#N)[C@H](C)C1 1215037962 NNFQFBSQLANSGQ-ZWNOBZJWSA-N 318.381 -0.338 30 20 DBED C=CCn1cc(C(=O)N2C[C@@H](NC[C@@H](O)COC)[C@H](C)C2)nn1 1215833270 ZVIJCNVVHRUAKF-JHJVBQTASA-N 323.397 -0.479 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2nc(C)c[nH]2)C[C@H]1C 1215858287 JONKOFQJZJVWSQ-KGYLQXTDSA-N 317.393 -0.094 30 20 DBED Cn1ccnc1COCC(=O)N1CCO[C@@H]2CN(CC#N)C[C@@H]21 1218153258 HOGCJMHHNYESTG-QWHCGFSZSA-N 319.365 -0.628 30 20 DBED Cc1nonc1CN1C[C@H](O)[C@H](NC(=O)CSCC#N)C1 1219219880 RJWXYRJZBMPDOT-MNOVXSKESA-N 311.367 -0.704 30 20 DBED COc1ccc(CN2C[C@H](O)[C@H](NC(=O)[C@@H](C)C#N)C2)nn1 1219379236 PCBKOERAXWMURW-WCQGTBRESA-N 305.338 -0.694 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)C)C1 1220112273 BCGOBRHXSKHUJR-UPJWGTAASA-N 309.410 -0.278 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)C2(NC(N)=O)CCCCC2)C1 1220483628 BHHVQMHKURQOPR-MNOVXSKESA-N 309.370 -0.958 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)CCCCN2CCOCC2)C1 1220547929 NWKADEISMLDEHF-CVEARBPZSA-N 323.437 -0.327 30 20 DBED CCNC(=O)NC(=O)CN1CCC(CNC(=O)[C@@H](C)C#N)CC1 1222640623 BIRUUABRFVZHLD-NSHDSACASA-N 323.397 -0.180 30 20 DBED COCC#CCN1CC[C@@H]2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@@H]21 1223505977 VMYHFZXLEWZBPA-KBXIAJHMSA-N 319.405 -0.320 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NC)nn1 1228990903 VPHHFPRTHQJCAN-VXGBXAGGSA-N 320.397 -0.159 30 20 DBED C#CCN1CCS(=O)(=O)[C@@H](CCNC(=O)Cc2ccc[nH]2)C1 1230521562 UJKZKYHOTKUHLN-AWEZNQCLSA-N 323.418 -0.204 30 20 DBED C#CCNC(=O)CC(=O)N(C)C[C@H]1CCN1C[C@H]1CCOC1 1233819785 PIYRYLBTWGZGAR-ZIAGYGMSSA-N 307.394 -0.305 30 20 DBED CN(C[C@H]1CCN1CC(=O)NCC#N)C(=O)Cc1ccoc1 1233874182 WKAOPZGIOZDONA-CYBMUJFWSA-N 304.350 -0.005 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)C1CCC(O)CC1 1233975944 AHGUUAQBXLZGCI-SLTAFYQDSA-N 321.421 -0.180 30 20 DBED C[C@@H]1C(=O)N(C)CCN1C(=O)C(=O)N1CCC[C@@](C)(C#N)C1 1261323299 BZHZTKXASNNDRP-ABAIWWIYSA-N 306.366 -0.172 30 20 DBED C=C(C)CN1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 1320056407 WJZFHHBVYBIFQY-CYBMUJFWSA-N 315.439 -0.517 30 20 DBED N#CC1(NC(=O)CCN2CCCS2(=O)=O)CCOCC1 1322904402 PYUOWXKYVHIAPC-UHFFFAOYSA-N 301.368 -0.399 30 20 DBED C#CCCCNC(=O)C(=O)NC[C@H]1CCCCS1(=O)=O 1324397665 RKFKMPMBVAOLHV-LLVKDONJSA-N 300.380 -0.401 30 20 DBED N#C[C@H]1CC[C@@H](NC(=O)C(=O)N[C@@H]2CCc3nnnn3CC2)C1 1328096402 XGRVEGLDEHRKRU-HBNTYKKESA-N 317.353 -0.697 30 20 DBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C[C@@H]1CC(=O)N1 1328169756 FOKIUCOOFVTNAW-MNOVXSKESA-N 314.349 -0.336 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCC(C2OCCO2)CC1 1329099493 PXDBZUMYWSVFPZ-UHFFFAOYSA-N 310.350 -0.636 30 20 DBED CC(=O)NC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)CCO1 1329219140 RGVYASGSGVLMIC-YNEHKIRRSA-N 322.365 -0.842 30 20 DBED C#CCSCCNC(=O)C(=O)N[C@H](C)CO[C@H]1CCOC1 1329421431 RUGPHLOYDDRKPR-NEPJUHHUSA-N 314.407 -0.221 30 20 DBED C=CCC1(O)CCN(C(=O)C(=O)NCC2=CCNCC2)CC1 1331634922 CQJBEVOVIKGCSK-UHFFFAOYSA-N 307.394 -0.048 30 20 DBED C=CCn1cc(CNC(=O)C(=O)NCCc2ccn(C)n2)nn1 1332043118 NSHDCXDZDFSASB-UHFFFAOYSA-N 317.353 -0.827 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[C@H]1CNCCS1(=O)=O 1341010480 KWUODJZCFKVIKG-AVGNSLFASA-N 316.423 -0.140 30 20 DBED CC(C)N1CCC[C@@H](CNC(=O)C(=O)N2CCO[C@@H](C#N)C2)C1 1345494770 NIMXGWMAQUXOQK-KBPBESRZSA-N 322.409 -0.026 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[C@H](C2)N3)CCN1C1CC1 1351982383 CRBIHIXPFSPEED-SCRDCRAPSA-N 317.393 -0.852 30 20 DBED CC[C@@H](NC(C)=O)C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N 1361318030 KBRUYZXMPCUSDT-LLVKDONJSA-N 320.353 -0.029 30 20 DBED CN(C[C@H]1CCCCO1)C(=O)Cn1cc(C#N)c(O)nc1=O 1361673708 KFJXIWUMDSANPP-LLVKDONJSA-N 306.322 -0.152 30 20 DBED COC[C@]1(CO)CCN(CC(=O)N(CCC#N)CCC#N)C1 1365299947 ZXWYHDBONUKUKG-OAHLLOKOSA-N 308.382 -0.027 30 20 DBED C[C@@H](Cc1cnn(C)c1)NS(=O)(=O)N1CCO[C@@H](C#N)C1 1365402675 NAWQNUTVIVIJBP-JQWIXIFHSA-N 313.383 -0.590 30 20 DBED CC(=O)NCC(=O)N1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@H]1C 1370818305 KLXNLBZENBWSFI-BXKDBHETSA-N 317.349 -0.258 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(CCNC(=O)[C@H]2CCOC2)CC1 1385549634 QHRXNQGLHKDPSG-STQMWFEESA-N 308.382 -0.557 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)[C@H]2CCc3nncn3C2)CC1 1389870266 IZWFNAVNQHFLNL-MNOVXSKESA-N 316.365 -0.235 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)c2cccn2C)C1 1390419068 PDNNEHQIYOULJO-IAQYHMDHSA-N 304.350 -0.122 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1c(F)cncc1F 1399817987 BNORQWODUFNLMI-YUMQZZPRSA-N 312.276 -0.274 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1cccc2c1OCC2 1399860184 FNVULVGCAIQDKZ-PWSUYJOCSA-N 317.345 -0.012 30 20 DBED COCCN(CCNC(=O)[C@@H](C)C#N)CC(=O)N1CCCC1 1403979594 ZEBGZGUJZYVMAW-ZDUSSCGKSA-N 310.398 -0.167 30 20 DBED CN(C[C@@H](O)CNCc1ccccc1C#N)C(=O)c1cnn[nH]1 1411057128 JSZRAEKPVZPOOV-ZDUSSCGKSA-N 314.349 -0.101 30 20 DBED CCN1CCCC[C@H]1C(=O)NCCn1cc(C#N)c(O)nc1=O 1412862156 NLLWNUKSZXPENX-LBPRGKRZSA-N 319.365 -0.189 30 20 DBED CCS(=O)(=O)CC(=O)N[C@@H](C)C1CN(C(=O)[C@@H](C)C#N)C1 1427040093 XOOZQAGDWKCENW-UWVGGRQHSA-N 315.395 -0.456 30 20 DBED CNC(=O)NCC(=O)N1C[C@H]2CCN(C(=O)[C@@H](C)C#N)C[C@H]21 1428956375 OMDGATAQDQPVPD-HBNTYKKESA-N 307.354 -0.866 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)[C@H](C)NC(N)=O)CCCC1 1432847157 RFILXGOBHSXTIP-UWVGGRQHSA-N 309.370 -0.252 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)N2CC[C@@H](O)[C@@H](CO)C2)cc1 1434098982 LVMBECWXNCEAKM-ZIAGYGMSSA-N 317.345 -0.510 30 20 DBED CCN1C[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@@H](C)C#N)C2)CC1=O 1454329592 VWOGBMJIVRPJBU-BJDJZHNGSA-N 306.366 -0.222 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](C)CN(C)C(=O)CCn1ncn(C)c1=O 1487840668 SHMFHFSPNOHQEN-WDEREUQCSA-N 322.369 -0.905 30 20 DBED CCCCN(CC(N)=O)c1cnc(-c2nn[nH]n2)c(C#N)n1 1577512223 JMLHWMTWMNAQHS-UHFFFAOYSA-N 301.314 -0.380 30 20 DBED C=CCOCC(=O)NCCN=c1cc[nH]cc1-c1nn[nH]n1 1588676456 WAOZCASBKJESPS-UHFFFAOYSA-N 303.326 -0.586 30 20 DBED C=CCOC[C@H](NC(=O)[C@@H]1CN(C(C)=O)CCO1)C(=O)O 1588855573 LSELTOKAJGDNCF-QWRGUYRKSA-N 300.311 -0.994 30 20 DBED N#Cc1cccc(-c2nn[nH]n2)c1N1CCN2C(=O)NC(=O)[C@@H]2C1 1592699302 VPLIMZHANCGIOT-JTQLQIEISA-N 324.304 -0.521 30 20 DBED N#Cc1nc(N[C@H](CO)[C@@H]2CCOC2)cnc1-c1nn[nH]n1 1592707910 JLQBFVXMMWKCLJ-VXNVDRBHSA-N 302.298 -0.662 30 20 DBED N#CC[C@@H]1CCCN(C(=O)C(=O)N2CCO[C@@H](C(=O)O)C2)C1 1594606216 QNERMJJTRVRUMA-WDEREUQCSA-N 309.322 -0.549 30 20 DBED N#Cc1cn(CC(=O)O)c(=O)n(CC[C@H]2CCCCO2)c1=O 1594633082 MKOSJBJWJCDYDJ-LLVKDONJSA-N 307.306 -0.075 30 20 DBED COCC#CC(=O)N1[C@@H](C)SC[C@H]1C(=O)NCCC(=O)O 1599137864 DYRDWTCGUAAKPY-ZJUUUORDSA-N 314.363 -0.483 30 20 DBED N#CCSCC(=O)N1CCN([C@]2(C(=O)O)CCOC2)CC1 1601076621 XLYISNHKNILGAA-CYBMUJFWSA-N 313.379 -0.369 30 20 DBED N#Cc1cn(CCC(=O)N[C@H](CC(=O)O)C2CC2)c(=O)nc1O 1601129005 HRMVYBCVEDBHOP-SNVBAGLBSA-N 320.305 -0.420 30 20 DBED C#CC[C@H](NS(=O)(=O)c1cccnc1C(=O)OC)C(=O)O 1602698331 CCJOTFWIXYKJNJ-QMMMGPOBSA-N 312.303 -0.377 30 20 DBED C=CC[C@@H](C(=O)O)N1CCS(=O)(=NS(C)(=O)=O)CC1 1602836403 QBLWCWFWEHTGEJ-VIFPVBQESA-N 310.397 -0.241 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](CO)Nc1ccc(-c2nn[nH]n2)cn1 1602983963 PYLAPMBFULMOIJ-WPRPVWTQSA-N 316.325 -0.690 30 20 DBED C[C@@]1(C(=O)O)CCN(C(=O)C(=O)NC2CCN(CC#N)CC2)C1 1603297015 GBUNPZDTQIEXAS-OAHLLOKOSA-N 322.365 -0.586 30 20 DBED N#CC[C@@]1(O)CCN(S(=O)(=O)[C@H]2CC[C@@H](C(=O)O)C2)C1 1608181071 FZSAKMUINDZYJC-JFGNBEQYSA-N 302.352 -0.080 30 20 DBED O=C1NC(=O)C(=NNc2ccc(-c3nn[nH]n3)cc2)C(=O)N1 1609589911 NTXVONMPXKXJAE-UHFFFAOYSA-N 300.238 -0.999 30 20 DBED C#CCCN1CCN(CCNC(=O)[C@]2(C)CCNC2=O)CC1 1752372555 GKNMSKCTMQSJCH-MRXNPFEDSA-N 306.410 -0.730 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H](CNC(=O)c1cnon1)C1CC1 1752491801 VNFCJTFJNMHLJV-GXSJLCMTSA-N 305.338 -0.695 30 20 DBED C#CCN1CC[C@H]2[C@@H](CCCN2C(=O)CS(=O)(=O)NC)C1 1752707528 OLCHHFVJMYWZAN-STQMWFEESA-N 313.423 -0.518 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC[C@@H](NC(=O)[C@@H]2CCC(=O)N2C)C1 1753428879 OLWXKEVKUYATNJ-UPJWGTAASA-N 322.409 -0.512 30 20 DBED C#CCNC(=O)[C@H](C)N(C)CCN(C)C(=O)CCc1cnc[nH]1 1753854633 QVBRAPXWMGABGA-ZDUSSCGKSA-N 319.409 -0.130 30 20 DBED C#CCCNC[C@@H](O)CNC(=O)c1ccc(-n2cncn2)nc1 1753922511 SRWMVTVXYWCFCI-CYBMUJFWSA-N 314.349 -0.634 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)N[C@@H](C)CNC[C@H](C)O 1754296491 NSVHNNYCQHCDRC-QWRGUYRKSA-N 300.403 -0.275 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCN(C)C(=O)[C@H]1COC(=O)N1 1754368573 LVNKHUCZMSHBFZ-GHMZBOCLSA-N 312.370 -0.776 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(NCCS(C)(=O)=O)CCC1 1754980780 QQIDTSVHIACWQT-LBPRGKRZSA-N 316.423 -0.302 30 20 DBED C[C@H](CNC(=O)C[C@H]1COC(=O)C1)N(C)CC(=O)NCC#N 1755297639 LKJFLRNBSPWKCU-GHMZBOCLSA-N 310.354 -0.984 30 20 DBED C=C(C)CN1CC([C@@H](C)NC(=O)CCn2cc[nH]c(=O)c2=O)C1 1755387903 SYGPHZAUBDBQCK-GFCCVEGCSA-N 320.393 -0.061 30 20 DBED C[C@@H](CN(C)C(=O)CC[C@H]1CCCN1C)NCC(=O)NCC#N 1755591203 HZTJLNLNTARDRV-UONOGXRCSA-N 323.441 -0.063 30 20 DBED CC#CCNC[C@@H]1CC[C@@H](NC(=O)CS(=O)(=O)NC)C1 1755750184 SKEHBPNPNUUYNY-VXGBXAGGSA-N 301.412 -0.567 30 20 DBED C#CCOCCC(=O)N1CC([C@H](C)NC(=O)c2cnn[nH]2)C1 1756148741 PDIVNNAYORKSEF-JTQLQIEISA-N 305.338 -0.579 30 20 DBED CS(=O)(=O)CC(=O)NCC1[C@H]2CN(C(=O)C#CC3CC3)C[C@H]12 1756192586 QNDINWCSDOIMAZ-CHWSQXEVSA-N 324.402 -0.735 30 20 DBED NC(=O)NCC(=O)N1CC[C@]2(NC(=O)C#CC3CC3)CCC[C@H]12 1756611377 SAYWZXDRYJPCSJ-BLLLJJGKSA-N 318.377 -0.292 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(C(=O)c2cocc2C)C[C@H]1O 1756996252 FBWBHHTVEPUYOU-ZIAGYGMSSA-N 320.345 -0.071 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(C(=O)c2[nH]ccc2C)C[C@@H]1O 1757173877 LKYMOQQWAZRCTA-XQQFMLRXSA-N 319.361 -0.337 30 20 DBED C=CCC(=O)N1CC[C@]2(C1)CN(C(=O)C1CN(C)C1)CCO2 1783919726 IPLVTQLKXHTEOW-INIZCTEOSA-N 307.394 -0.046 30 20 DBED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](N)[C@H](C)CC)[C@H]2C1 1786824672 MLMRFAURIDMTFR-BLDNINTCSA-N 321.421 -0.027 30 20 DBED COCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CC1)C2 1795201236 RBZKFJIHZPAKPL-PTEHBNRSSA-N 307.350 -0.474 30 20 DBED N#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc[nH]n1)C2 1795416811 RYEKGMKIOZVUIP-GNXNZQSNSA-N 317.349 -0.083 30 20 DBED N#CCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CNC(=N)N 1795980461 PEPXGFVLJCSZIQ-JGPRNRPPSA-N 306.370 -0.589 30 20 DBED C=C1CC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](C)O)C1 1800745044 FKHYLVQYXQZYGT-RUZUBIRVSA-N 308.378 -0.077 30 20 DBED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCCOC)CCO2 1830484018 PIJJINAFEOVIRS-MRXNPFEDSA-N 324.377 -0.497 30 20 DBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)OC)CCO2 1840211478 DLUUYDNRNBBQKZ-DOMZBBRYSA-N 310.350 -0.889 30 20 DBED C#CC(=O)N1CC2(CCCN2C(=O)CSCC(=O)OC)C1 1841615008 XCQORHLWBUQANA-UHFFFAOYSA-N 310.375 -0.271 30 20 DBED N#CC1(C(=O)N2CCCC23CN(C(=O)[C@@H]2CNC(=O)C2)C3)CC1 1842809632 IDIYZKBBCWZFLA-NSHDSACASA-N 316.361 -0.370 30 20 DBED C=C[C@@](C)(CC)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 134932950 SICIYCAFVPVIBZ-AWEZNQCLSA-N 306.370 -0.054 30 20 DBED C#CCN1CCC(C(=O)NCCN2CCCS2(=O)=O)CC1 147527995 BTLIEDNPYXLUQB-UHFFFAOYSA-N 313.423 -0.517 30 20 DBED COC(=O)[C@H]1COCCN1S(=O)(=O)c1cccnc1C#N 234559401 HFTBDVNWYLJGBS-SNVBAGLBSA-N 311.319 -0.484 30 20 DBED COc1cc(C#N)ccc1OCC(=O)NCCC(=O)NC(N)=O 267823881 HSPCRMDCEYAWND-UHFFFAOYSA-N 320.305 -0.353 30 20 DBED COCCN(CCO)C(=O)C(=O)Nc1cc(C#N)ccc1OC 275804029 NBFBBXBKEANPFN-UHFFFAOYSA-N 321.333 -0.027 30 20 DBED COCCN1CN(CC(=O)N(CCC#N)CCC#N)CC1=O 282437562 IEWPWJCNVDDFFL-UHFFFAOYSA-N 307.354 -0.610 30 20 DBED N#Cc1ccsc1NC(=O)C(=O)N1CCN(CCO)CC1 293773756 YQCMLHVFZWKNAM-UHFFFAOYSA-N 308.363 -0.305 30 20 DBED C[C@@H]1CN(C(=O)C(=O)N(C)Cc2cccc(C#N)c2)CC(=O)N1 297691735 DWCARCAQFISEQR-LLVKDONJSA-N 314.345 -0.136 30 20 DBED O=S1(=O)CCC[C@@H]1C/N=C(/O)NC[C@@]1(O)CCSC1 330114085 DMCKHKHNBJBJGM-KOLCDFICSA-N 308.425 -0.065 30 20 DBED CN1CCN(C(=O)CC/N=C(/O)N2CC[C@H](CCO)C2)CC1 330941084 YFPPOFKOKKBXFF-CYBMUJFWSA-N 312.414 -0.231 30 20 DBED CC1(C)NC(=O)N(CCCC(=O)N2CC(O)(CC#N)C2)C1=O 331573255 YYIFLCXLEZGJMB-UHFFFAOYSA-N 308.338 -0.416 30 20 DBED CCOCCOC1CN(S(=O)(=O)N2CCO[C@@H](C#N)C2)C1 336897705 UFEDRIAIZQDAPM-NSHDSACASA-N 319.383 -0.807 30 20 DBED COCCN1CC[C@H](NS(=O)(=O)N(C)C[C@@H](C)C#N)C1 337200402 ZOYMMFQXTNRAEG-RYUDHWBXSA-N 304.416 -0.367 30 20 DBED C[C@H](C#N)NS(=O)(=O)c1cnc2c(c1)c(O)nc(=O)n2C 339413643 YBWNVZJCQBEWCD-ZCFIWIBFSA-N 309.307 -0.776 30 20 DBED CS(=O)(=O)N[C@H]1CCC[C@H]1CNS(=O)(=O)CCCC#N 340886991 OAPRUJQMZSJZPC-QWRGUYRKSA-N 323.440 -0.073 30 20 DBED CC(=O)N(CCc1ccccc1)CC(=O)NCC(=O)NCC#N 344168951 VHBVVDSQDZXSBT-UHFFFAOYSA-N 316.361 -0.166 30 20 DBED CN(CC(C)(C)C#N)C(=O)C1CCN(S(N)(=O)=O)CC1 353289689 OMKNHCBSCQAEPC-UHFFFAOYSA-N 302.400 -0.090 30 20 DBED COC(=O)Cn1cc(CNC(=O)c2cc(C#N)ccn2)nn1 355131155 ZYQUPMGZUVIEAR-UHFFFAOYSA-N 300.278 -0.352 30 20 DBED COC(=O)C1(CNC(=O)c2cnn(C)c2C#N)CCOCC1 356707416 WEBYKWDETXMOJC-UHFFFAOYSA-N 306.322 -0.009 30 20 DBED C=C[C@H](C)NC(=O)N(CC)CC(=O)N[C@H]1CCS(=O)(=O)C1 361527609 IGJCWOCPIDUKKD-QWRGUYRKSA-N 317.411 -0.104 30 20 DBED N#Cc1ccc(OCCNC(=O)C(=O)NC[C@@H](N)C2CC2)cc1 419464239 MUJXQTHFNRQAPG-CQSZACIVSA-N 316.361 -0.093 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCN[C@@H](C)C2)C1=O 447515379 BVYSLBQWBJBIIZ-UWVGGRQHSA-N 308.338 -0.780 30 20 DBED C#CCN1CCN(C(=O)CN2C[C@H](C)O[C@H](COC)C2)CC1 490711686 AYJPDIAVKLGRCF-GJZGRUSLSA-N 309.410 -0.501 30 20 DBED C#CCN1CCN(C(=O)CNC(C)(C)c2noc(C)n2)CC1 490839652 JANKJFXQXDIJFQ-UHFFFAOYSA-N 305.382 -0.020 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)C2(C#N)CCOCC2)CC1 491811063 BFDTVCCZLLKKSZ-UHFFFAOYSA-N 318.377 -0.800 30 20 DBED Cc1ccn(C[C@@](C)(O)C(=O)N2CC[C@@](O)(CC#N)C2)c(=O)c1 592850721 YPCYZTBKKOFIGW-CVEARBPZSA-N 319.361 -0.215 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N[C@H](C(=O)O)[C@@H]1CCOC1 593255185 DGOJCGKNHDNDAL-BBBLOLIVSA-N 305.356 -0.598 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H]1CCS(=O)(=O)[C@@H]1C 599458145 QCBUUUPAEUDCJD-OPRDCNLKSA-N 309.413 -0.512 30 20 DBED Cn1cc(N2C[C@H](C(=O)N3CCN(CC#N)CC3)CC2=O)cn1 599538741 XEXGDQSBUHWWSR-GFCCVEGCSA-N 316.365 -0.559 30 20 DBED Cc1nn(C)c(N2CCN(C(=O)C(C)(C)C(N)=O)CC2)c1C#N 618226889 IBHXLYFRSWENDW-UHFFFAOYSA-N 318.381 -0.240 30 20 DBED C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)CCCN(C)C 631781831 VDEUTWAZRMOMFF-LBPRGKRZSA-N 324.468 -0.057 30 20 DBED C=CC[C@@H]1CCCN(C(=O)C(=O)NCC(=O)N2CCNCC2)C1 659715959 UDWVTDJKHZITSO-CYBMUJFWSA-N 322.409 -0.651 30 20 DBED C#CCCCS(=O)(=O)N1CCC(NC(=O)COC)CC1 710323482 JHXSPWMXUSVEAQ-UHFFFAOYSA-N 302.396 -0.043 30 20 DBED CC(=O)N(C)CC(=O)NS(=O)(=O)Cc1cccc(C#N)c1 729196044 VMMSBDVKPKJHCR-UHFFFAOYSA-N 309.347 -0.017 30 20 DBED CCc1ccc2c(c1)C(=NNC(=S)NCC(N)=O)C(=O)N2 731930256 SSSTXGWOJASDCQ-UHFFFAOYSA-N 305.363 -0.145 30 20 DBED C#CCNC(=O)[C@@H](C)OC(=O)Cc1c(C)[nH]c2ccnn2c1=O 733544220 IVUFFYRIEMENNY-SNVBAGLBSA-N 316.317 -0.445 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)c2cccc(-c3nn[nH]n3)c2)CCO1 737686691 ZGGMFWFBJRNIBE-SNVBAGLBSA-N 320.334 -0.220 30 20 DBED N#Cc1cc(-c2nn[nH]n2)c(SC[C@H]2CNC(=O)O2)nc1N 737705218 OTBTZLYYMULQEU-ZCFIWIBFSA-N 318.322 -0.084 30 20 DBED N#CCN(CC(=O)O)C(=O)CSCC(=O)N1CCOCC1 739079557 ZDUYAZCPKJZJEO-UHFFFAOYSA-N 315.351 -0.985 30 20 DBED C#C[C@@H](NCCNS(=O)(=O)c1cnn(C)c1)[C@@H]1CCCO1 775800482 SGPGVCZSLGHHAC-OLZOCXBDSA-N 312.395 -0.531 30 20 DBED C#C[C@H](NC(=O)N1CCC[C@@H](S(N)(=O)=O)C1)[C@H]1CCCO1 799974666 DMYFNXYXMUIHFV-GRYCIOLGSA-N 315.395 -0.370 30 20 DBED CC#CCS(=O)(=O)NC(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O 816056606 ZGZNYBTXKRBGJB-PHIMTYICSA-N 324.358 -0.593 30 20 DBED CS(=O)(=O)Nc1ccc(C(=O)N[C@H]2CNC[C@H]2C#N)cc1 834516790 LZZGOMHERYFVIT-PWSUYJOCSA-N 308.363 -0.101 30 20 DBED C#CCO[C@H](C)C(=O)OCc1c(N(C)C)n(C)c(=O)n(C)c1=O 835467793 UKZQPERYDZYHNZ-SNVBAGLBSA-N 323.349 -0.769 30 20 DBED C=C[C@@H](C)ONC(=O)N1CCN(C(=O)C(=O)NC(C)C)CC1 845639172 PAMSIGJXWVJJMI-LLVKDONJSA-N 312.370 -0.129 30 20 DBED C#C[C@@H](NC(=O)C(=O)N1CCC(CCN)CC1)[C@@H]1CCCO1 846330243 PHPMAORLCUBDRY-KGLIPLIRSA-N 307.394 -0.129 30 20 DBED CCOC(=O)Cn1ccc(NC(=O)N[C@@H]2CNC[C@H]2C#N)n1 848598717 QECWGZJFZLWWNC-NXEZZACHSA-N 306.326 -0.321 30 20 DBED C=CCn1cc(CN/C(=N/C)NCCN2CCOCC2)nn1 849044301 GAIUCFWGGCRFHP-UHFFFAOYSA-N 307.402 -0.539 30 20 DBED C#C[C@](C)(CC)NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 854694698 IGBAVUQRJJRFOH-OAHLLOKOSA-N 317.349 -0.648 30 20 DBED C#CC[C@H](CO)NC(=O)[C@H]1CC[C@H]1C(=O)N[C@@H](CO)CC#C 868473436 OIRIVNHRNXACMD-SYQHCUMBSA-N 306.362 -0.987 30 20 DBED CC1(CCNC(=O)C(=O)N2CCN(CCC#N)CC2)OCCO1 875221960 XDEFRECKSHGFRA-UHFFFAOYSA-N 324.381 -0.686 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@]23CCC[C@H]2NCC3)C1=O 877393101 PFCMMLGXOOKXJY-BMIGLBTASA-N 320.349 -0.636 30 20 DBED C#CCn1cc(CNS(=O)(=O)CCOCCOC)cn1 882347954 SGQYQTUYLRYHEX-UHFFFAOYSA-N 301.368 -0.401 30 20 DBED C#CC1(O)CN([C@H](C)C(=O)N2CCN(c3ccccn3)CC2)C1 934448123 ZJLMTXBZVRKFIG-CQSZACIVSA-N 314.389 -0.201 30 20 DBED O=C1CC[C@@H](CC(=O)N[C@H]2CCN(C(=O)C#CC3CC3)C2)N1 938255630 CHTIWBWYAJPAFM-STQMWFEESA-N 303.362 -0.214 30 20 DBED CO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)c1cncn1C 942582587 FGARFUABDPXXTL-TZMCWYRMSA-N 316.361 -0.211 30 20 DBED C=CC(C)(C)C(=O)N1CCO[C@H](CNC(=O)c2cnn(C)n2)C1 944671910 LAWWTMIPIBSJMH-LLVKDONJSA-N 321.381 -0.016 30 20 DBED C=C1CC(C)(C(=O)N[C@H]2[C@H]3C[C@H]2N(C(=O)Cn2ncnn2)C3)C1 948000393 OOAITZYNGLJIFE-LOWVWBTDSA-N 316.365 -0.255 30 20 DBED CC#CCN1C[C@H](CNC(=O)c2cccc3ncnn23)[C@@H](O)C1 958228757 SXQRRQCQYLOUCT-JSGCOSHPSA-N 313.361 -0.225 30 20 DBED C[C@H](NC(=O)c1nnn(C)n1)[C@@H]1CCN(C(=O)C#CC2CC2)C1 959158140 OPCUMCCMSYTIDI-CMPLNLGQSA-N 316.365 -0.410 30 20 DBED C=C(C)C(C)(C)C(=O)N1C[C@H](O)[C@H](NC(=O)[C@H]2CCC(=O)N2)C1 961901977 XGSJCWQWCPYUDV-UTUOFQBUSA-N 323.393 -0.445 30 20 DBED CC#CCN1C[C@@H]2C(NC(=O)c3cn(C)c(=O)nc3O)[C@H]2C1 962538879 YKVYVXOMQIJOSJ-UWVGGRQHSA-N 302.334 -0.831 30 20 DBED Cc1cn(C)nc1C(=O)NC[C@H]1COCCN1C(=O)[C@@H](C)C#N 964177046 ALJSMQVJNKGHMN-JQWIXIFHSA-N 319.365 -0.155 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)c1cncn1C 964241025 GUGYDUGFCXVVIT-QWRGUYRKSA-N 305.338 -0.463 30 20 DBED O=C(N[C@H]1COC2(C1)CN(C(=O)C#CC1CC1)C2)[C@H]1CCOC1 965648588 ZWDYCZRAHNEQIT-UONOGXRCSA-N 318.373 -0.078 30 20 DBED C[C@H](C#N)C(=O)N1CC2(C[C@@H](NC(=O)c3cnn(C)n3)CO2)C1 965742290 HWCBFRIHLQKWCP-NXEZZACHSA-N 318.337 -0.926 30 20 DBED C=C(C)C(C)(C)C(=O)N1C[C@H](O)[C@H](NC(=O)c2cnon2)C1 970003582 LPIXTNDOMZYEGE-MNOVXSKESA-N 308.338 -0.027 30 20 DBED C=CCN1CCO[C@]2(CCN(C(=O)[C@@H]3CN(C)CCO3)C2)C1 972316848 PKYFQEIWRHKHJQ-GOEBONIOSA-N 309.410 -0.194 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)CO[C@@H]3CCOC3)C2)C1 972378341 QTRQGJQWBJKFBA-GDBMZVCRSA-N 308.378 -0.272 30 20 DBED CC#CCN1CCO[C@@]2(CCN(C(=O)[C@H]3CCN(C)C3=O)C2)C1 972506578 LMUCGDLTAZRPOH-YOEHRIQHSA-N 319.405 -0.209 30 20 DBED Cc1nc(CC(=O)N[C@H]2[C@@H]3CN(C(=O)[C@H](C)C#N)C[C@@H]32)n[nH]1 976477901 OSWNLBHOYZWHOF-PZWLIILKSA-N 302.338 -0.612 30 20 DBED C=CCCN1C[C@@H]2C(CNC(=O)C3CC(=O)NC(=O)C3)[C@H]2C1 978864960 RMELOZLJCJTZJN-CHWSQXEVSA-N 305.378 -0.091 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)CN2C(=O)CCC2=O)[C@H]1C 987911975 SHEKICLSWYJLRU-AXFHLTTASA-N 320.349 -0.599 30 20 DBED O=C(NC1CN(C(=O)C#CC2CC2)C1)c1cccn2nnnc12 991924827 ASANWUWQZDKEFV-UHFFFAOYSA-N 310.317 -0.522 30 20 DBED N#CCN[C@@H]1CCC[C@H]2CN(C(=O)CN3CCNC(=O)C3)C[C@@H]21 992773864 DLMFYGZPPHIJEW-MELADBBJSA-N 319.409 -0.842 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)[C@@]2(C)CNC(=O)C2)C1 1000017182 LVWLSFDTGXOGSN-BFQNTYOBSA-N 321.377 -0.569 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](NC(=O)c2c[nH]c(=O)cn2)C(C)(C)C1 1008512502 BEDLEWDRZNYMGD-GXSJLCMTSA-N 317.349 -0.104 30 20 DBED Cc1nn[nH]c1C(=O)NCC1[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]12 1009335591 OENWMOZHKVTVNQ-GGVZMXCHSA-N 302.338 -0.293 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2C(CNC(=O)[C@@H]3[C@H]4COC[C@H]43)[C@H]2C1 1009389219 BYTNLGFEWDJPTQ-WGQIVAOGSA-N 303.362 -0.141 30 20 DBED N#Cc1ccc(C(=O)N2CCN(C(=O)[C@@H]3COC(=O)N3)CC2)[nH]1 1011017104 UWXLDYWBGVMTGD-NSHDSACASA-N 317.305 -0.721 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2C(NC(=O)c3ccc(O)nn3)[C@H]2C1 1012724884 XYSLUAOPCQZERV-VGMNWLOBSA-N 301.306 -0.472 30 20 DBED C#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)c1nc(O)nc(O)c1OC 1018169420 KKLCYFMNSIMHIQ-AOOOYVTPSA-N 318.333 -0.182 30 20 DBED CC(=O)N1CCOC[C@H]1C(=O)NC[C@H]1CCCCN1CC#N 1024807847 XLKPTNRVMMRKEM-KGLIPLIRSA-N 308.382 -0.272 30 20 DBED C#CCN(C)[C@H]1CCCN(C(=O)c2nccnc2C(N)=O)C1 1027674906 MDBUWBKGSZIEBE-NSHDSACASA-N 301.350 -0.255 30 20 DBED C#CCN1CCC[C@@H]1CNC(=O)[C@@H]1CC(=O)N(CCOC)C1 1027916718 RXXLNFCFGOKZBH-ZIAGYGMSSA-N 307.394 -0.305 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)Cn3cccn3)C2)C1=O 1030107661 RWFQMPUYCIBSFB-ZDUSSCGKSA-N 303.366 -0.530 30 20 DBED N#Cc1ccc(CN2CC(NC(=O)Cn3ncnn3)C2)c(F)c1 1030315763 KSWKOAOKHYINIG-UHFFFAOYSA-N 315.312 -0.316 30 20 DBED C=C(Cl)CN1CC(NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 1031041796 ZFZAAPJXTVKLAN-UHFFFAOYSA-N 312.757 -0.750 30 20 DBED C=CCN1CC[C@H](N2CC(CNC(=O)C3=COCCO3)C2)C1=O 1031529182 FENJWIFVAXZQFB-ZDUSSCGKSA-N 321.377 -0.291 30 20 DBED N#Cc1ccc(C(=O)NCC2CN(CCN3CCNC3=O)C2)[nH]1 1031621027 SLQYSVZDDQGAPG-UHFFFAOYSA-N 316.365 -0.427 30 20 DBED C#CCN1CC[C@H](N(CC)C(=O)[C@@H]2CCN(C)S2(=O)=O)C1 1033986760 YFIQAZKFWPQXDE-STQMWFEESA-N 313.423 -0.424 30 20 DBED N#CCN1CCO[C@@H](CNC(=O)c2cnc3[nH]nnc3c2)C1 1035399780 WNHAPQOAVLOHKJ-JTQLQIEISA-N 301.310 -0.693 30 20 DBED C#CCCN1C[C@H]2C[C@H]1[C@H]2NC(=O)c1cnn2c(=O)cc[nH]c12 1037627603 KWVXRZBJUPBXAI-OSMZGAPFSA-N 311.345 -0.152 30 20 DBED C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CN(C(C)=O)CCO1 1039464928 DOGHZJNNVKIUGJ-OWCLPIDISA-N 319.405 -0.068 30 20 DBED C[C@@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)c2csnn2)C1 1040766778 SPNJKYRSCCEYGV-QPUJVOFHSA-N 309.351 -0.609 30 20 DBED C=CCCC(=O)N1CC[C@@](O)(CNC(=O)[C@@]2(C)CCNC2=O)C1 1040922427 XVBYUIQGARQZGD-JKSUJKDBSA-N 323.393 -0.442 30 20 DBED C=C1CC(C)(C(=O)N2CC(O)(CNC(=O)Cc3cc[nH]n3)C2)C1 1042270412 XZFIECZMMJSLMS-UHFFFAOYSA-N 318.377 -0.002 30 20 DBED C=CCC(C)(C)C(=O)N1CC(O)(CNC(=O)c2cn(C)nn2)C1 1042890169 UHRWZKSKOYRIDI-UHFFFAOYSA-N 321.381 -0.280 30 20 DBED Cc1nnccc1C(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042957870 APVDUBJGGDQXGD-UHFFFAOYSA-N 314.345 -0.498 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)Cn2ccccc2=O)C1 1042999935 KASHNDCAKCDSTQ-UHFFFAOYSA-N 319.361 -0.496 30 20 DBED C#CCCN1CC(N(C)C(=O)c2ccc(S(N)(=O)=O)o2)C1 1043218415 WFZCSLMJBXQWOE-UHFFFAOYSA-N 311.363 -0.294 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)[C@@H]2CCCCN2C)C1 1043768336 BDPYEKHWGZAOOJ-NEPJUHHUSA-N 308.382 -0.680 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2nc(C)c(C)[nH]c2=O)C1 1047424967 CEQHTYKCOHITFD-STQMWFEESA-N 318.377 -0.473 30 20 DBED C#CCOCCC(=O)N1C[C@H]2C[C@H](NC(=O)CC(N)=O)C[C@H]1C2 1047426751 WRSLGFDDWJIWDL-RWMBFGLXSA-N 321.377 -0.603 30 20 DBED C=CCCC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C[C@@H]1O 1048515024 QQYJXGZRFDHTET-WHRXGGIHSA-N 308.378 -0.125 30 20 DBED CO[C@@H](C(=O)N(C)[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O)C1CC1 1048766337 WWEJJWGTZDGLTL-OFQRWUPVSA-N 320.389 -0.145 30 20 DBED C=CCCN1C[C@H]2CN(C(=O)CC[C@H]3NC(=O)NC3=O)C[C@H]2C1 1049207130 UFDAPOIGHJLPAJ-FRRDWIJNSA-N 320.393 -0.059 30 20 DBED Cn1cnc2ccc(C(=O)NC[C@H]3COCCN3CC#N)nc21 1051119554 ZRRQWGFXCIETRI-NSHDSACASA-N 314.349 -0.078 30 20 DBED N#CCN1CCN([C@H]2CCN(C(=O)CN3CCOCC3)C2)CC1 1052011535 UBAPEBFXWJURIF-HNNXBMFYSA-N 321.425 -0.939 30 20 DBED C[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1CNC(=O)Cn1cnnn1 1052549717 WPLSKCHYNDUNIP-AAEUAGOBSA-N 316.365 -0.703 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)[C@H]3COCCN3CC)CO2)C1 1053853237 ZVUOMUPGJZSXLH-LSDHHAIUSA-N 321.421 -0.310 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)C[C@H]3CCC(=O)N3C)CO2)C1 1053887697 ODFBOUDMVYCPFR-ZIAGYGMSSA-N 319.405 -0.020 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NCc1nc(=O)n(C)[nH]1 1054640227 XUQPGUWWVUSALC-ZYHUDNBSSA-N 303.366 -0.542 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC[C@](CO)(NC(=O)C2CC2)C1 1055689433 ZWIDSEATKWMUHD-WBMJQRKESA-N 308.378 -0.096 30 20 DBED Cn1cc(C(=O)N2CCN(c3ccc(C#N)nn3)CC2)nc1O 1056004222 PRBZVRYSRKQYGH-UHFFFAOYSA-N 313.321 -0.250 30 20 DBED Cn1ccc(CC(=O)N[C@H]2[C@@H]3CN(c4nccnc4C#N)C[C@@H]32)n1 1056205039 XTZZIENYWFWEMA-JYAVWHMHSA-N 323.360 -0.125 30 20 DBED N#Cc1nccc(N2C[C@H]3[C@H](NC(=O)[C@@H]4[C@H]5COC[C@H]54)[C@H]3C2)n1 1056364880 DAYZDIHIIGAYMZ-BTQQJHMASA-N 311.345 -0.209 30 20 DBED N#Cc1nc(=N[C@@H]2CCN(C(=O)[C@H]3CCNC(=O)C3)C2)cc[nH]1 1056599829 PZYAEKLMLYHKJB-WDEREUQCSA-N 314.349 -0.691 30 20 DBED CN1C[C@@H](C(=O)N2CC[C@@H](Nc3ccc(C#N)nn3)C2)NC1=O 1056745050 NNLDQRQISJKCIL-MNOVXSKESA-N 315.337 -0.615 30 20 DBED N#Cc1nc(=N[C@@H]2CCN(C(=O)[C@@H]3CCC(=O)NC3)C2)cc[nH]1 1056817775 HFQZEHWTZWQXMC-GHMZBOCLSA-N 314.349 -0.691 30 20 DBED N#Cc1nccc(N2CCCN(C(=O)[C@H]3COCCO3)CC2)n1 1057091444 DJMZXVOZIJRQQF-GFCCVEGCSA-N 317.349 -0.198 30 20 DBED CCCOCC(=O)N(CCO)CCNC(=O)c1cc(C#N)c[nH]1 1057141220 PFRXZEMCCZLBHO-UHFFFAOYSA-N 322.365 -0.136 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCN(CCO)C(=O)C[C@H](C)OC 1057163499 SOPMIJLKCWWMTL-SWLSCSKDSA-N 316.398 -0.324 30 20 DBED COc1cc(C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N)ncn1 1057674985 FWNSLAGWWVHHBL-JTQLQIEISA-N 321.337 -0.804 30 20 DBED CCOCCOCC(=O)N(CCO)CCNC(=O)[C@H](C)C#N 1057867270 ADPOXHVFVNBEGY-GFCCVEGCSA-N 315.370 -0.864 30 20 DBED N#Cc1cncc(N2C[C@@H]3CC[C@H](C2)N3C(=O)Cc2nc[nH]n2)n1 1058775455 HUPXMBMQZKQGRX-TXEJJXNPSA-N 324.348 -0.111 30 20 DBED CN1C[C@H](C(=O)N2CC[C@H](Nc3nccnc3C#N)C2)NC1=O 1059023484 VQHYUAKZWJHHFN-GXSJLCMTSA-N 315.337 -0.615 30 20 DBED N#Cc1ccc(N[C@H]2C[C@@H](NC(=O)[C@@H]3CC[C@H]3C(N)=O)C2)nn1 1059784332 NRPBXUBMGMWYGJ-WRWGMCAJSA-N 314.349 -0.081 30 20 DBED N#Cc1cncc(NC[C@H]2CCCN(C(=O)CC(N)=O)C2)n1 1060009962 UHULADHPXDNOKV-SNVBAGLBSA-N 302.338 -0.126 30 20 DBED C[C@@H](C#N)C(=O)NCC[C@@H]1CCN(C(=O)CCn2cnnn2)C1 1060228346 LAZARMNHEOZFIJ-NWDGAFQWSA-N 319.369 -0.422 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H]1CCN(C(=O)[C@@H](C)C#N)C1 1060288822 GACPGWQEOPNLNK-STQMWFEESA-N 318.377 -0.360 30 20 DBED C#CCNC(=O)CC(=O)N1CCOC[C@H]1CNC(=O)C1CCC1 1061152153 SSQIHMJPPDUETO-CYBMUJFWSA-N 321.377 -0.730 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1COCCN1C(=O)C1=COCCO1 1061558421 PWSRAUCYKTVZIX-CYBMUJFWSA-N 322.361 -0.122 30 20 DBED CC#CCCCC(=O)NC[C@@H]1COCCN1C(=O)CC(=O)NC 1061785985 VCPAKZPXEYLABB-CYBMUJFWSA-N 323.393 -0.340 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)C1=CCOCC1 1061848745 UTUJAMCLHRRIFT-AAEUAGOBSA-N 307.350 -0.164 30 20 DBED CN(C[C@@H]1CCN(C(=O)CC(N)=O)C1)c1nccnc1C#N 1062101600 XWMMSOYJBXTCLM-JTQLQIEISA-N 302.338 -0.492 30 20 DBED CCc1nc(C#N)cc(N2C[C@@H]3C[C@H]2CN3C(=O)C(N)=O)n1 1062565979 LZEUTWIYDGWGDS-UWVGGRQHSA-N 300.322 -0.815 30 20 DBED CC(C)C#CC(=O)NC1(CNC(=O)[C@H]2CN(C)C(=O)N2)CCC1 1063916040 WIMZZWIWERTNBN-GFCCVEGCSA-N 320.393 -0.176 30 20 DBED C#CCCCC(=O)N1CCO[C@H](CNC(=O)[C@H]2CCNC2=O)C1 1065090383 JSTRUPJNMUUNIT-OLZOCXBDSA-N 321.377 -0.730 30 20 DBED CN(C(=O)c1ccon1)[C@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1065564939 TWCRXFGPNCWAJG-QWRGUYRKSA-N 314.305 -0.342 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC2(C[C@H](NC(C)=O)CO2)C1 1068639938 HGPBQZZXGHFXLQ-UONOGXRCSA-N 323.393 -0.037 30 20 DBED N#CCSCC(=O)N1CC2(C[C@H](NC(=O)C(F)F)CO2)C1 1068641085 SOWHHQFIMOCEPT-QMMMGPOBSA-N 319.333 -0.006 30 20 DBED C=CCCC(=O)N[C@@H]1COC2(C1)CN(C(=O)[C@@H]1CCC(=O)N1)C2 1068752977 KJBLFYZUCDDDCP-RYUDHWBXSA-N 321.377 -0.283 30 20 DBED C#CCN1CCn2ncc(CNC(=O)[C@@H]3COCCN3C)c2C1 1069858096 CKXSLZCVGTWHEE-HNNXBMFYSA-N 317.393 -0.721 30 20 DBED C#CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H]2COCCO2)C1 1069898542 PSWXCIZBLDNROD-RDBSUJKOSA-N 319.365 -0.942 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2nonc2C)C[C@@H]1n1ccnn1 1070338141 SOQWOLATBATRRT-MNOVXSKESA-N 301.310 -0.742 30 20 DBED C#CCN1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CCNC2=O)C1 1070419910 LITSZLIVJRQZSU-AAEUAGOBSA-N 315.377 -0.416 30 20 DBED C#CCOCCC(=O)N1CCC[C@@H](NC(=O)[C@H]2CCNC2=O)C1 1070730504 JGWKYNRHIBJIJM-OLZOCXBDSA-N 321.377 -0.730 30 20 DBED CC#CCN1C[C@@H](NC(=O)CN2CCC(=O)NC2=O)CC[C@@H]1C 1071972446 VTXYZUFIVSLEEB-STQMWFEESA-N 320.393 -0.079 30 20 DBED N#CCN1CCC2(C1)CN(C(=O)[C@@H]1CCc3nnc(O)n3C1)C2 1072867511 GMSUPVRTPXDFTO-LLVKDONJSA-N 316.365 -0.396 30 20 DBED CN1CC[C@H](C(=O)NC[C@H]2CN(CC#N)CCCO2)CC1=O 1073665041 SMVCWCKACRYSAG-STQMWFEESA-N 308.382 -0.415 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCCS2(=O)=O)C1 1077129096 SSDSPSCFBCNJRZ-JHJVBQTASA-N 316.423 -0.309 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2cnc3ccccn3c2=O)C1 1077242269 JPMYOFOAMDXCDN-CHWSQXEVSA-N 312.329 -0.897 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)c2cn(C[C@@H]3CCOC3)nn2)C1 1077910411 SZIAYDAHOPNGSB-OUCADQQQSA-N 321.381 -0.725 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C=C(C)C)C1 1081224917 BVRKECYSVUWVKU-QWHCGFSZSA-N 321.377 -0.972 30 20 DBED CC(=O)N(C)CC(=O)NC[C@H]1CN(C(=O)C#CC(C)C)C[C@@H]1O 1081290188 UKFUVWHICROFMX-KBPBESRZSA-N 323.393 -0.940 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)CCCC(N)=O)C[C@H]1O 1081332020 ABOGTZWUXDDSNG-NWDGAFQWSA-N 311.382 -0.456 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)C2=COCCO2)C[C@H]1O 1081332300 DFOQIUBHQBGQPU-VXGBXAGGSA-N 310.350 -0.224 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1O 1081336130 UDIVBZTZLLYBPZ-ZYHUDNBSSA-N 307.354 -0.670 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2cncnc2)C1 1081425197 OXSQRCYDVBPZGX-CHWSQXEVSA-N 304.350 -0.008 30 20 DBED C#CCCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2[nH]nnc2C)C1 1081637250 KTMYPNBQXKVCTA-NWDGAFQWSA-N 319.365 -0.534 30 20 DBED C=CC(C)(C)C(=O)NC[C@@H]1CN(C(=O)CNC(C)=O)C[C@@H]1O 1081640833 RHNRFAZUOSJRJO-NEPJUHHUSA-N 311.382 -0.730 30 20 DBED C=CCCC1(C(=O)NC[C@H]2CN(C(=O)C(N)=O)C[C@H]2O)CC1 1081741710 KRGQLYGOQCADPK-WDEREUQCSA-N 309.366 -0.846 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)C1CCN(C(N)=O)CC1 1083270306 YXFIMAFRLMFVNN-QWHCGFSZSA-N 321.381 -0.788 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)Cc2c(C)nc(CC)nc2C)C1 1083654895 LJHDWJRGNLLITA-CABCVRRESA-N 316.405 -0.007 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2cccc(-n3cccn3)n2)C1 1083770620 RTBNHHBMNPHFSY-OLZOCXBDSA-N 312.333 -0.434 30 20 DBED C#CCN[C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@H]1c1cnn(C)c1 1086983557 WKONJIIDDUAXEJ-QWHCGFSZSA-N 317.393 -0.551 30 20 DBED C#CCN1C[C@@H](NC(=O)Cn2cncn2)CC2(CCOCC2)C1 1089967650 FUFMMOWWFGXEJT-AWEZNQCLSA-N 317.393 -0.101 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2cc(=O)c(OC)c[nH]2)[C@H](O)C1 1090433625 RLOOZJRVFNPDJZ-SMDDNHRTSA-N 319.361 -0.428 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)c2ccn3nnnc3c2)[C@@H](O)C1 1090487783 ZUVHKPFTNMACBN-STQMWFEESA-N 316.365 -0.135 30 20 DBED CCNC(=O)CC(=O)N1C[C@@H](N=c2cc[nH]c(C#N)n2)[C@H](C)C1 1090965366 QLCCSZOMKXKQFM-GHMZBOCLSA-N 316.365 -0.445 30 20 DBED CCO[C@H](C)C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@@H]1O 1091067203 TYDPXIUFKIVQCS-JLLWLGSASA-N 305.338 -0.561 30 20 DBED N#Cc1c(Cl)nsc1NCCNC(=O)Cn1cnnn1 1093505660 TXMMJQCOKBVUPN-UHFFFAOYSA-N 312.746 -0.117 30 20 DBED CN1CC[C@@H](C(=O)NCCNc2ccc(C#N)nc2)S1(=O)=O 1094194837 LAICNJVKNYPPPK-LBPRGKRZSA-N 323.378 -0.485 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)c3cnc(C)cn3)CC2=O)C1 1094698757 KJYPQKASRSNXBZ-LBPRGKRZSA-N 315.377 -0.014 30 20 DBED CC#CCN1CC(N2C[C@@H](NC(=O)[C@@H]3CCOC3)CC2=O)C1 1094713992 NMJSKAOLIHHJDL-OLZOCXBDSA-N 305.378 -0.553 30 20 DBED COc1nccc(C(=O)NCCCN=c2cc[nH]c(C#N)n2)n1 1094899252 YKOJTZXTRLNUKU-UHFFFAOYSA-N 313.321 -0.199 30 20 DBED C[C@H](CC(N)=O)C(=O)N1CCCN(c2ccc(C#N)nn2)CC1 1095202867 YANMCGWQNJCVPK-LLVKDONJSA-N 316.365 -0.102 30 20 DBED CNC(=O)CC(=O)NCCCN(C)c1nc(C)cc(C#N)n1 1095527826 PZJZCQUZOLCVFC-UHFFFAOYSA-N 304.354 -0.265 30 20 DBED CCN(CCCNC(=O)Cn1cnnn1)c1ccc(C#N)nc1 1095835583 RVBKYCMTYBIZGE-UHFFFAOYSA-N 314.353 -0.027 30 20 DBED CC(=O)NCC(=O)N(C)C1CCN(c2nccnc2C#N)CC1 1096094421 XXIFYADCACCPOL-UHFFFAOYSA-N 316.365 -0.088 30 20 DBED N#Cc1cncc(N2CC[C@H](NC(=O)CCCC(N)=O)C2)n1 1096391610 LVGBAXNJPJBAJV-JTQLQIEISA-N 302.338 -0.301 30 20 DBED C#CCN(CCO)C1CCN(C(=O)[C@]2(C)CCC(=O)NC2)CC1 1098458760 AVKWZTXKXDETES-QGZVFWFLSA-N 321.421 -0.179 30 20 DBED CC(C)C[C@H](C(N)=O)C(=O)N1CCC(N(CC#N)CCO)CC1 1098587020 SBQSKVGESRUYJP-CQSZACIVSA-N 324.425 -0.057 30 20 DBED CCn1nncc1C(=O)N[C@H]1CCN(CC#CCOC)C[C@H]1O 1099807770 VSWQGYSMBZTYON-GXTWGEPZSA-N 321.381 -0.887 30 20 DBED CN(CCNC(=O)c1cnn(C)c1N)c1ccc(C#N)nn1 1100070842 DNWDGCWRBDEIJY-UHFFFAOYSA-N 300.326 -0.470 30 20 DBED C=C(Cl)CN1CC[C@H](NC(=O)CS(=O)(=O)CC)[C@@H](O)C1 1100127375 VJQZFJYILZJRAM-QWRGUYRKSA-N 324.830 -0.275 30 20 DBED C=CCNC(=O)[C@@H](C)NC1CC(CNC(=O)C(C)(C)C(N)=O)C1 1100426539 NDUMRBZKFVHDKO-VOMCLLRMSA-N 324.425 -0.327 30 20 DBED CCN(CCNC(=O)Cn1cnnn1)c1ncc(C#N)cc1F 1100439633 MCCAHXJIENONOJ-UHFFFAOYSA-N 318.316 -0.278 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H]1CN(C[C@@H](C)OC)C[C@H]1C 1101899867 BHUSJGDXBNEXFM-MGPQQGTHSA-N 309.410 -0.155 30 20 DBED C=CCN1C[C@@H](C)[C@H](CNC(=O)CN2CCCS2(=O)=O)C1 1102023625 BLMIRLSHKIYGTL-CHWSQXEVSA-N 315.439 -0.108 30 20 DBED Cc1cc(C#N)nc(N2CC[C@@H](CCNC(=O)CC(N)=O)C2)n1 1102308550 QHHVQZSHRGPEBH-LLVKDONJSA-N 316.365 -0.135 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCC(=O)N1)CNc1cncc(C#N)n1 1103901489 DJMRNGNSDWZNIA-MWLCHTKSSA-N 302.338 -0.209 30 20 DBED CN(C)CCC(=O)NC[C@@H]1CN(c2cncc(C#N)n2)CCO1 1104347075 VVUUTGIIWGZOAG-CYBMUJFWSA-N 318.381 -0.379 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)Cc1nc[nH]n1 1104673422 OLYORVGUKPMZHC-VIFPVBQESA-N 300.326 -0.610 30 20 DBED Cc1nnsc1C(=O)NC[C@H](O)CN=c1cc[nH]cc1C#N 1105744560 UGOYLLLDFMYERR-SNVBAGLBSA-N 318.362 -0.262 30 20 DBED N#Cc1ccc(C(=O)NC[C@H](O)CN=c2cc[nH]cc2C#N)[nH]1 1105789084 QMNSLNVKKFCHKQ-GFCCVEGCSA-N 310.317 -0.222 30 20 DBED Cc1nc(NC[C@@H](O)CNC(=O)[C@H]2COC(=O)N2)ccc1C#N 1105836120 ZAQNXIWDCVSLRE-GHMZBOCLSA-N 319.321 -0.741 30 20 DBED Cc1nc(NC[C@H](O)CNC(=O)Cc2nc[nH]n2)ccc1C#N 1105958709 GGNWXQTVHVAJCJ-NSHDSACASA-N 315.337 -0.489 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H](O)CNc1nc[nH]c2ncnc1-2 1105971320 XFFOYFBUDNQMMW-VHSXEESVSA-N 318.337 -0.768 30 20 DBED CCN(C)C(C)(C)C(=O)NC[C@H](O)CNc1ccc(C#N)nn1 1106010565 BTIIMBNOOXNHFW-GFCCVEGCSA-N 320.397 -0.032 30 20 DBED COC[C@H](OC)C(=O)NC[C@H](O)CNc1ccc(C#N)cn1 1106086453 GQVCQOIRPUQRQB-NEPJUHHUSA-N 308.338 -0.496 30 20 DBED C=CCCNC[C@@H]1CN(C(=O)CNC(=O)CNC(C)=O)C[C@H]1C 1106332730 WFLJFKGIWNORSU-TZMCWYRMSA-N 324.425 -0.501 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)C[C@@H]2CC(=O)NC2=O)C[C@H]1C 1107102466 RBJVMUMMJGIBND-FRRDWIJNSA-N 305.378 -0.253 30 20 DBED N#CCN1CC(n2cc(CNC(=O)Cc3ncc[nH]3)nn2)C1 1107221889 GOSVHYFBTPBSPI-UHFFFAOYSA-N 300.326 -0.760 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)[C@H]1CN(C)CCO1 1107667611 ZNOFTXJUAXVAQU-GHMZBOCLSA-N 304.354 -0.983 30 20 DBED CC(C)C#CC(=O)NC[C@]1(C)CN(CCOCCO)CCO1 1107926127 ANSBXDHRHHOMIT-MRXNPFEDSA-N 312.410 -0.138 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](C)NC(=O)[C@H]2C[C@H]2C(N)=O)n1 1108111494 LIIHMFYJQLYZDC-IEBDPFPHSA-N 302.338 -0.305 30 20 DBED C[C@H](CN(C)c1cncc(C#N)n1)NC(=O)C[C@H]1CCC(=O)N1 1109008510 QLGOWQUVVQSYOL-GHMZBOCLSA-N 316.365 -0.042 30 20 DBED C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2[C@H]1CCC(=O)NC1=O 1109070592 DCXDEKOFQMXFIG-VOAKCMCISA-N 321.377 -0.284 30 20 DBED C[C@H](CN(C)c1ccc(C#N)nc1)NC(=O)[C@@H]1CN(C)C(=O)N1 1109193180 BTELWAVIXLRNEE-MFKMUULPSA-N 316.365 -0.082 30 20 DBED N#Cc1ccc(NC[C@@H](NC(=O)Cn2ncnn2)C2CC2)nn1 1109916961 CPPZXRMQJXBKGN-LLVKDONJSA-N 313.325 -0.658 30 20 DBED N#Cc1nccnc1N1CC[C@](O)(CNC(=O)c2cnco2)C1 1111121514 HJCFOTQMVXRVAG-AWEZNQCLSA-N 314.305 -0.293 30 20 DBED N#Cc1cnc(NCCN(CCO)C(=O)Cc2cnoc2)cn1 1111542849 QLQKTOQKYVHOFO-UHFFFAOYSA-N 316.321 -0.188 30 20 DBED C[C@H](NC(N)=O)C(=O)N(C)CCCN(C)c1cnc(C#N)cn1 1112067319 CYFPTABHLJDPPD-JTQLQIEISA-N 319.369 -0.310 30 20 DBED CC#CCN[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1C(F)(F)F 1112102682 WCDYRNZGZNCGFY-NXEZZACHSA-N 316.287 -0.325 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)c2ccc(O)nn2)CC1 1112601337 OKLCFZXQWPYZTR-NSHDSACASA-N 317.349 -0.922 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)Cn2cccn2)CC1 1112611399 VUJRNWIMPHHBIX-CYBMUJFWSA-N 303.366 -0.835 30 20 DBED CN(C)CCC(=O)NC[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1O 1112754524 BXFXUMVKWZHPDM-ZIAGYGMSSA-N 317.393 -0.182 30 20 DBED C[C@@H](N=c1cc[nH]cc1C#N)[C@@H](C)NC(=O)Cn1cnnc1O 1112977628 CVNOVSAXQPEAEN-NXEZZACHSA-N 315.337 -0.322 30 20 DBED C=C1CC(C)(C(=O)N2CCN(CC(=O)NC(=O)NC)CC2)C1 1113323627 YEUYJMHFJGWXOO-UHFFFAOYSA-N 308.382 -0.058 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@@]23CCOC3)CC1 1113504513 RLWCMGCVQREENQ-SWLSCSKDSA-N 306.366 -0.803 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H](C)N(C)c1nccn2nnnc12 1113725493 VPTOLFBIWYCUON-WDEREUQCSA-N 317.353 -0.502 30 20 DBED C=CCOCC(=O)N[C@H]1[C@@H]2CN([C@@H]3CCC(=O)NC3=O)C[C@@H]21 1114047787 MXXGQGLZEBNVLR-DEKYYXRVSA-N 307.350 -0.959 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)C#CC(C)C)[C@@H]2C1 1114234608 NVDYFSIHDDYOHM-BFHYXJOUSA-N 301.390 -0.170 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3ccns3)[C@H]2C1 1114343035 GXVDTFJPSDWIHB-UWVGGRQHSA-N 304.375 -0.448 30 20 DBED CN(C)[C@H](Cn1cccn1)C(=O)NC1[C@@H]2CN(CC#N)C[C@@H]12 1114405492 TZGHKQRBTZSBLT-JHJVBQTASA-N 302.382 -0.617 30 20 DBED C=CCOCCN1C[C@@H]2C(NC(=O)CN3CCOCC3=O)[C@H]2C1 1114411548 GUSLEXKRLCTUSX-STQMWFEESA-N 323.393 -0.906 30 20 DBED N#Cc1ccc(N2C[C@H]3C(CNC(=O)CC(N)=O)[C@@H]3C2)nn1 1114547345 UDUQEVUJHWHCDG-QWRGUYRKSA-N 300.322 -0.978 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)C3CCN(C)CC3)[C@H]2C1 1114769271 DPTVEYSVDWEETO-KBPBESRZSA-N 318.421 -0.876 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)c3nocc3C)[C@H]2C1 1115077154 UTOBGBFMSATEMH-SRVKXCTJSA-N 316.361 -0.219 30 20 DBED CCS(=O)(=O)CC(=O)N[C@H]1[C@@H]2CN(CC#CCOC)C[C@@H]21 1115300365 QHGKAFZUSSZXNS-IMRBUKKESA-N 314.407 -0.883 30 20 DBED COc1ccc(NC(=O)C(=O)NCC(=O)NCC#N)cc1F 1117415708 LLKBDWIELNIYFV-UHFFFAOYSA-N 308.269 -0.471 30 20 DBED C#CCNC(=O)C1CCN(c2nnnn2CCOCC=C)CC1 1120088512 OEQWSEOYRBHVPB-UHFFFAOYSA-N 318.381 -0.159 30 20 DBED N#Cc1cncc(N[C@H](CO)CNC(=O)c2cnsn2)n1 1121091592 CUDRHZQMHCCIET-QMMMGPOBSA-N 305.323 -0.597 30 20 DBED COCc1cc(N[C@@H](CO)CNC(=O)C#CC2CC2)ncn1 1121439999 ZIPSZMZAZYJYCD-CYBMUJFWSA-N 304.350 -0.075 30 20 DBED CCn1cnc(C(=O)NC[C@H](CO)Nc2cncc(C#N)n2)c1 1121855632 ZMOIFTFVCSQUHY-LLVKDONJSA-N 315.337 -0.233 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)C(=O)NCC2CC2)cn1 1121928885 QFKHIQVRNVZAJV-ZDUSSCGKSA-N 317.349 -0.632 30 20 DBED C[C@@]1(C(=O)NC[C@H](CO)Nc2ccc(C#N)cn2)CCC(=O)N1 1122487201 GKXJXBZJJVHTCU-ABAIWWIYSA-N 317.349 -0.489 30 20 DBED C=CCCn1cc(C(=O)NC[C@H](CO)Nc2ncccn2)nn1 1122696442 RMQVHEHZCPLAPT-LLVKDONJSA-N 317.353 -0.153 30 20 DBED CC(=O)N(C)CC(=O)N1CC[C@@H](N=c2cc[nH]c(C#N)n2)[C@H]1C 1122989464 UZKYDDJPRPSHAB-ZYHUDNBSSA-N 316.365 -0.350 30 20 DBED CC(C)N(C)CC(=O)N(C)C[C@@H](O)CNc1cncc(C#N)n1 1124381812 PNABVKQPOPHKBB-ZDUSSCGKSA-N 320.397 -0.080 30 20 DBED CSCC(=O)N(C)C[C@H](O)CN(C)c1ccnc(C#N)n1 1124926394 VXEKGMKLMKPVKZ-SNVBAGLBSA-N 309.395 -0.033 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C[C@H](O)CN(C)c1cnc(F)cn1 1125161578 KPECLQJDEAVQRS-NWDGAFQWSA-N 324.356 -0.091 30 20 DBED N#Cc1ccccc1CNCCNC(=O)Cn1cnnc1O 1126027395 QXZXXKTWDUETNZ-UHFFFAOYSA-N 300.322 -0.239 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CC(=O)N(C(C)C)C1 1128644664 URKNTFFBLPUZJB-QWHCGFSZSA-N 322.409 -0.913 30 20 DBED C=CCCN[C@@H]1CN(C(=O)[C@@H](C)NC(C)=O)C[C@@H]1n1ccnn1 1129552946 JHWKTSGVXTUFKS-BNOWGMLFSA-N 320.397 -0.280 30 20 DBED CN(C1CCCC1)C(C)(C)C(=O)NCCNCC(=O)NCC#N 1130614767 CXRNUQWZSHMCGY-UHFFFAOYSA-N 323.441 -0.015 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@H]1CC(=O)N[C@@H](CC)C1 1131680828 RKCYCSSTWHZKNQ-NEPJUHHUSA-N 310.398 -0.701 30 20 DBED C#CCNC[C@H]1CN(C(=O)CN2CCC(=O)NC2=O)CC[C@H]1C 1133234581 TXEHHQFUKGWSMX-OLZOCXBDSA-N 320.393 -0.364 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)CCn1cncn1 1133703639 VMKQOJRFNWQUQC-STQMWFEESA-N 320.397 -0.710 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)[C@@H](CC)NC(C)=O)C1=O 1134175548 WEPFCWSDRCLGNH-OLZOCXBDSA-N 310.398 -0.606 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1ccc(C)nc1O 1134365411 MFYQLJUSZZMGOK-LLVKDONJSA-N 304.350 -0.447 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1ccnc(C2CC2)n1 1134625410 ATKCXUDVBSBUCU-NSHDSACASA-N 315.377 -0.189 30 20 DBED C=CCCCCCNCCNC(=O)CN1C(=O)C(=O)N(C)C1=O 1134714298 JFGVCFSPBKNELY-UHFFFAOYSA-N 324.381 -0.141 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)C1CCN(C(C)C)CC1 1146391792 KBDVOISOJCCHJN-AWEZNQCLSA-N 322.453 -0.050 30 20 DBED C#CCN1CCC(C(=O)N[C@@H](C)C[C@@H](C)NCC(N)=O)CC1 1146585473 YFUGMYPRQLGUTH-OLZOCXBDSA-N 308.426 -0.310 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)Cc1cnn(CC)c1 1147401827 GCECSDVGPMQKJD-GFCCVEGCSA-N 307.398 -0.158 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC2(CCN(CC(=O)NC3CC3)C2)C1 1147530356 KJKBEHGGQAYQHX-ZDUSSCGKSA-N 319.405 -0.162 30 20 DBED COCC#CCN1CCC2(C1)CN(C(=O)[C@H]1CCNC1=O)C2 1148045206 JVPVOUIXFSFGIG-ZDUSSCGKSA-N 305.378 -0.693 30 20 DBED C=CCN1CCC2(C1)CN(C(=O)CNC(=O)Cn1cncn1)C2 1148833621 FMQXSNDDMAXXBZ-UHFFFAOYSA-N 318.381 -0.885 30 20 DBED C=CCN1CCCO[C@@H](CNC(=O)COCc2ncnn2C)C1 1150542345 YVSSFAYOUPSCNK-ZDUSSCGKSA-N 323.397 -0.275 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)NCCN[C@@H](CC)C(N)=O 1152404796 LJFFCZFVAQLUBJ-JTQLQIEISA-N 313.402 -0.780 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)CNC(=O)C1CC1 1155044990 PWWIGSNRSSOTAQ-LLVKDONJSA-N 310.398 -0.701 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)c1cn(C)nc1C 1155899756 WEPMYSVTRNLWOC-LBPRGKRZSA-N 305.382 -0.424 30 20 DBED C#CCNC(=O)CC(=O)NCCCNCC(=O)N(C)CC1CC1 1156847974 NAOQAYPSYHFGPO-UHFFFAOYSA-N 322.409 -0.910 30 20 DBED C#CCNC(=O)CNCCCNC(=O)CCCNC(=O)C1CC1 1159270577 XEPBFMYPLBXQHY-UHFFFAOYSA-N 322.409 -0.862 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)CC(=O)NCC1CC1 1170579179 HYHPFWBAMHYKKK-LBPRGKRZSA-N 322.409 -0.864 30 20 DBED C[C@H](C(=O)NCCCNCC(=O)NCC#N)c1cccnc1 1171493513 LXPLESOUXHUUKG-LBPRGKRZSA-N 303.366 -0.079 30 20 DBED C#CCNC(=O)CNCCCC[C@H](C)NC(=O)[C@H](C)CC(N)=O 1174672923 SBCBPBHQTUFFSS-OLZOCXBDSA-N 324.425 -0.488 30 20 DBED CC#CCNCCCC[C@H](C)NC(=O)CN1CC(=O)NC1=O 1175755479 SHVPWYNDPYYXCU-LBPRGKRZSA-N 308.382 -0.174 30 20 DBED C[C@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)[C@H](C)n1cccn1 1178161154 XXAVOMPLDPJZAK-AVGNSLFASA-N 318.381 -0.337 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)[C@H](CC)NC(C)=O)[C@H]1C 1179573767 NFBFEFRIBFBGPS-UBHSHLNASA-N 322.409 -0.771 30 20 DBED CCN(CCC#N)C(=O)CN[C@@H]1CCN(C(=O)c2cn[nH]c2)C1 1181160490 NWQRGGRLTOQKPR-CYBMUJFWSA-N 318.381 -0.024 30 20 DBED C=CCCCN[C@@H]1CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)C1 1186119566 SJHYTSFVGDDMPC-OLZOCXBDSA-N 310.398 -0.477 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3cnsn3)[C@@H]2C1 1186993399 BFYQLDZTRQPNBU-CMPLNLGQSA-N 319.390 -0.566 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)Cc2[nH]cnc2C)C1 1187420271 IKGYALQCBZJTNN-GFCCVEGCSA-N 305.382 -0.247 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N(C)C2)C1 1188158217 HYCSNPKQJLVLLO-CHWSQXEVSA-N 322.409 -0.653 30 20 DBED Cc1nn(C)cc1C(=O)N1CC[C@H](N(C)CC(=O)NCC#N)C1 1189427013 BNOORRVPPBVUSH-LBPRGKRZSA-N 318.381 -0.485 30 20 DBED C=CCNC(=O)[C@H](C)N(C)[C@@H]1CCN(C(=O)Cn2nccn2)C1 1190382420 XYFDNSZJOHEDQG-QWHCGFSZSA-N 320.397 -0.499 30 20 DBED Cc1cnn(C)c1C(=O)N1CC[C@@H](N(C)CC(=O)NCC#N)C1 1191788758 ACCYKOGMCDTHKZ-GFCCVEGCSA-N 318.381 -0.485 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(Cc2cc(C)n(C)n2)C[C@H]1O 1192530133 KPDSRFSWLPHEDK-IIAWOOMASA-N 322.409 -0.283 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)CNC(=O)c2ccoc2)C1 1193174531 RBNTZPJPNVTEGX-CHWSQXEVSA-N 307.350 -0.253 30 20 DBED CC#CCCCC(=O)N[C@@H]1CN([C@H]2CCN(C)C2=O)C[C@H]1O 1195484472 XBPDKLKVNFRHKZ-HZSPNIEDSA-N 307.394 -0.428 30 20 DBED COCC1(C(=O)N2CCCN(CC(=O)NCC#N)CC2)CC1 1196507446 PYIJNXYGTILUGI-UHFFFAOYSA-N 308.382 -0.413 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CN(CC(=O)NC2CC2)C[C@H]1O 1199311735 BQZMRGNEDGXROH-CYZMBNFOSA-N 311.382 -0.983 30 20 DBED N#CCNC[C@@H]1CN(C(=O)CNC(=O)c2ccoc2)CCCO1 1200583718 UWNDGOGANOVDAO-CYBMUJFWSA-N 320.349 -0.260 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)c2cncn2C)CCCO1 1200886850 DNWDKAJDWAELAR-CQSZACIVSA-N 320.393 -0.109 30 20 DBED CCCN1C[C@@H](C(=O)N2CCCO[C@H](CNCC#N)C2)CC1=O 1201524944 NQLKNOTVKQGEBU-UONOGXRCSA-N 322.409 -0.024 30 20 DBED Cc1nc[nH]c1CC(=O)N1CCC(NCC(=O)NCC#N)CC1 1203494414 PQWNEYUQZTYFHN-UHFFFAOYSA-N 318.381 -0.519 30 20 DBED COCC#CCN1C[C@@H](NC(=O)[C@H](C)n2cncn2)[C@H](C)C1 1206878243 FSEYBEOUXWPFOC-HZSPNIEDSA-N 305.382 -0.075 30 20 DBED CC(=O)N1CCO[C@@H](C(=O)N2CCC(CNCC#N)CC2)C1 1206905808 OUDXLODEBQWGSO-CQSZACIVSA-N 308.382 -0.415 30 20 DBED C=CCNCC1CCN(C(=O)CC[C@H]2NC(=O)NC2=O)CC1 1206917620 PXOUTWGWXIIOKB-GFCCVEGCSA-N 308.382 -0.011 30 20 DBED CO[C@@H]1CN([C@H]2CCCNC2=O)C[C@H]1NC(=O)C#CC(C)C 1212239896 QOPRAONZFRQSBZ-HZSPNIEDSA-N 307.394 -0.260 30 20 DBED C[C@@H]1CN(C(=O)c2cncs2)C[C@H]1NCC(=O)NCC#N 1214231218 TVWVOAPQRRLIAL-NXEZZACHSA-N 307.379 -0.167 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@H]1C 1214336089 TYKKSAOIPDYLHP-MGPQQGTHSA-N 306.410 -0.734 30 20 DBED CCCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C#CC(C)(C)C)C1 1219596502 XXAHKEIXWDZCTR-OLZOCXBDSA-N 309.410 -0.277 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)[C@H](C2CC2)N(C)C)C1 1219804079 MJEJWHTZOBNOEE-ILXRZTDVSA-N 309.410 -0.862 30 20 DBED C=CCC1(C(=O)N[C@@H]2CN([C@H]3CCNC3=O)C[C@@H]2O)CCC1 1220293372 FLPINGIBSQKJQY-AGIUHOORSA-N 307.394 -0.217 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(CCc2ccnn2C)C[C@@H]1O 1221145941 QKXHZKZHLFMEEA-YUELXQCFSA-N 322.409 -0.285 30 20 DBED N#CCSCC(=O)NC1CCN(CCOCCO)CC1 1226152930 VDBIMGGPXYMRLP-UHFFFAOYSA-N 301.412 -0.167 30 20 DBED C[C@@H](C#N)C(=O)NC1CCN(CCNS(C)(=O)=O)CC1 1226639761 GGUINNASMGZCHB-JTQLQIEISA-N 302.400 -0.724 30 20 DBED C=CCNC(=O)[C@H](C)N1CCC(NC(=O)[C@@H]2COC(=O)N2)CC1 1227131818 PETQSFMVIVBQEW-JQWIXIFHSA-N 324.381 -0.634 30 20 DBED CN(C[C@@H]1CCN1CC(=O)NCC#N)C(=O)CSCC#N 1230815160 LEEMUJPEBXNDTO-NSHDSACASA-N 309.395 -0.584 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)c1cc(C)n(C)n1 1230917392 VTKIJZLNNXILPG-ZDUSSCGKSA-N 317.393 -0.376 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@@H]1CN(C)C(=O)c1cn(C)cn1 1233612415 XEHMOWMBNZUCIS-QWHCGFSZSA-N 317.393 -0.296 30 20 DBED C#CCCNC(=O)N(CC)CC(=O)N[C@@H]1CCS(=O)(=O)C1 1261214541 YCAVDPUMKXNXCJ-LLVKDONJSA-N 315.395 -0.656 30 20 DBED COC/C(C)=C\C(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1 1263295490 BGFKRTPGAPFJPA-ZJRUKIMVSA-N 314.363 -0.455 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)c2cc(CC)[nH]n2)C1 1266509416 VFNQHHLTBOBMIR-YPMHNXCESA-N 317.393 -0.086 30 20 DBED COC(=O)CN(CC#N)CC(=O)N1CCC2(CC1)OCCO2 1319581561 MOCMWNRHOHEGKT-UHFFFAOYSA-N 311.338 -0.650 30 20 DBED C=CCN(C(=O)CSCC(N)=O)[C@H]1CCS(=O)(=O)C1 1321826855 MTZAKNVUZXTEMT-VIFPVBQESA-N 306.409 -0.593 30 20 DBED C#CCOCCNC(=O)C(=O)N1CC[C@@H](Oc2ccncc2)C1 1323027704 SBJUSFMVORLIMW-CQSZACIVSA-N 317.345 -0.173 30 20 DBED N#CCC1CCN(C(=O)C(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)CC1 1323584053 GTGJNINYSJJLDT-NEPJUHHUSA-N 322.365 -0.712 30 20 DBED C#C[C@H](CC)NC(=O)C(=O)Nc1cc(C)n(CC(=O)NC)n1 1326304762 GSHIXJQBEBHZNK-SNVBAGLBSA-N 305.338 -0.596 30 20 DBED C=CCS(=O)(=O)CCN1C(=O)[C@H]2[C@H](O)CCCN2C1=O 1326376428 WGYCOGMTJGXSJE-NXEZZACHSA-N 302.352 -0.625 30 20 DBED C[C@H]1COCCN1CCNC(=O)C(=O)N[C@@H]1CC[C@H](C#N)C1 1326719362 VDOBZGFNVMIDOG-RWMBFGLXSA-N 308.382 -0.368 30 20 DBED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)NCC(=O)NCC1CC1 1327751628 GTVZGLKIRRDLCC-TZMCWYRMSA-N 323.393 -0.274 30 20 DBED Cc1nnc(CNC(=O)C(=O)N2CCC[C@H](CC#N)C2)n1C 1327937401 ORZXAHFZNHIZQG-LLVKDONJSA-N 304.354 -0.108 30 20 DBED COCCN(CC#N)C(=O)c1nc(S(C)(=O)=O)ncc1C 1328746018 RNHQGNZXWNIMPG-UHFFFAOYSA-N 312.351 -0.199 30 20 DBED N#Cc1cccc(NC(=O)C(=O)N2CCN3C(=O)NC[C@H]3C2)n1 1329297133 CIFUGOGNUSXBOO-JTQLQIEISA-N 314.305 -0.872 30 20 DBED C[C@@]1(C(N)=O)CCN(C(=O)C(=O)N2CCC[C@@H](CC#N)C2)C1 1333415316 CHIXSJZXTYLELV-XHDPSFHLSA-N 306.366 -0.137 30 20 DBED N#C[C@H]1CN(C(=O)NCCCCCN2CCNCC2)CCO1 1335638455 YABKRWQGUHJPAW-AWEZNQCLSA-N 309.414 -0.004 30 20 DBED CCOC(=O)[C@@H]1CCN(C(=O)C(=O)N2CCO[C@H](C#N)C2)C1 1338032081 YXCRXCQTDCXADI-GHMZBOCLSA-N 309.322 -0.851 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N[C@@H](COC)C(C)C)nn1 1345697987 FEHGRPDGHWXIOC-LBPRGKRZSA-N 309.370 -0.133 30 20 DBED C#CCOCCNC(=O)C(=O)NCCC(=O)Nc1ccccc1 1346534492 XRWSOGUGNUUNQO-UHFFFAOYSA-N 317.345 -0.103 30 20 DBED C=C(C)Cn1c(N2CCN(C)C(=O)C2)nnc1[C@](C)(O)COC 1346583739 WAXYUNOAFHHFQH-OAHLLOKOSA-N 323.397 -0.014 30 20 DBED CN(C[C@@H]1CCCC[C@H]1O)C(=O)Cn1cc(C#N)c(O)nc1=O 1362292459 GRUUADGTRQHWBO-CMPLNLGQSA-N 320.349 -0.170 30 20 DBED CNC(=O)CCCC(=O)Nc1[nH]nc(N2CCOCC2)c1C#N 1363505230 WGPGRROVPJYICY-UHFFFAOYSA-N 320.353 -0.027 30 20 DBED CC(C)(C#N)CS(=O)(=O)NC[C@]1(O)CCS(=O)(=O)C1 1363861911 NFFQNJOAXAEOAB-SNVBAGLBSA-N 310.397 -0.995 30 20 DBED N#Cc1cc(NC(=O)NC[C@]2(O)CCS(=O)(=O)C2)ccn1 1364146038 LWEGEIOQNFPEDV-GFCCVEGCSA-N 310.335 -0.376 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](C)CNC(=O)c1cn(C)c(=O)n1C 1391288242 VIKLIKSTKDIONB-ZJUUUORDSA-N 307.354 -0.634 30 20 DBED C[C@@H](CNC(=O)[C@@H](C)C#N)NC(=O)c1cnc2c(c1)nnn2C 1397581048 CAZFAEXQYDILQC-IUCAKERBSA-N 315.337 -0.243 30 20 DBED CCN1CCO[C@H](C(=O)N2CC(CNC(=O)[C@H](C)C#N)C2)C1 1398811262 FOGXKFBDKYHUKH-YPMHNXCESA-N 308.382 -0.559 30 20 DBED CCCn1ncc(C(=O)NC[C@H](O)CNC(=O)[C@@H](C)C#N)c1C 1410166233 NNGKLWBSGDQWBC-CMPLNLGQSA-N 321.381 -0.032 30 20 DBED CN(C[C@@H](O)CNC(=O)[C@H]1CCOC1)C(=O)c1cc(C#N)c[nH]1 1413262006 XVTVPMLDNGYNAY-RYUDHWBXSA-N 320.349 -0.528 30 20 DBED CCN(CCNC(=O)CS(=O)(=O)CC)C(=O)[C@H](C)C#N 1415682575 NIIGYUUKLIRMRE-SNVBAGLBSA-N 303.384 -0.455 30 20 DBED CC(C)(C)OC(=O)Cn1cc(C(=O)N2CC(O)(CC#N)C2)nn1 1417717718 GETQYVNLBCEASR-UHFFFAOYSA-N 321.337 -0.280 30 20 DBED CC(=O)N[C@H](C)C(=O)NC[C@H](O)CNCc1ccc(C#N)s1 1422283347 SLOGORUBACOXJA-MWLCHTKSSA-N 324.406 -0.289 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)C[C@@H]2CCCC(=O)N2)CC1 1432249881 IACBDUDJWXXRHT-QWRGUYRKSA-N 306.366 -0.030 30 20 DBED COc1ncc(NC(=O)C2CN(S(C)(=O)=O)C2)cc1C#N 1455611411 VHMGPARTTALMGM-UHFFFAOYSA-N 310.335 -0.208 30 20 DBED CCOC(=O)CC1(NS(=O)(=O)N(C)C[C@@H](C)C#N)COC1 1475777186 OOKRECFUJMMUOJ-JTQLQIEISA-N 319.383 -0.366 30 20 DBED CCn1cc(C(=O)N[C@@H]2CCCN(CC(=O)NCC#N)C2)nn1 1494292299 VANQZVWQMCFMJS-LLVKDONJSA-N 319.369 -0.868 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)NC[C@]1(C(=O)O)CCCOC1 1573398866 IWABUXWAIZJZDO-CMPLNLGQSA-N 319.383 -0.206 30 20 DBED C=C(C)C[C@@H](CO)NC(=O)NCCn1cnc(-c2nn[nH]n2)n1 1588406535 VUZOENMLPDZPPE-VIFPVBQESA-N 321.345 -0.916 30 20 DBED C[C@@H](C#N)C(=O)NCCCN(C)c1ccc(-c2nn[nH]n2)nn1 1588929064 HRLZUPRFAVHCPU-VIFPVBQESA-N 315.341 -0.241 30 20 DBED C[C@@H](C(=O)NCc1ccc(C#N)cn1)n1cnc(-c2nn[nH]n2)n1 1588998713 STRVHQSHLSBXAY-QMMMGPOBSA-N 324.308 -0.398 30 20 DBED CNC(=O)C1CCN(c2cnc(-c3nn[nH]n3)c(C#N)n2)CC1 1591202851 ZLSNPHLEEJUUSD-UHFFFAOYSA-N 313.325 -0.509 30 20 DBED Cc1cc(-c2nn[nH]n2)ccc1Cn1c(=O)[nH]cc(C#N)c1=O 1591867710 SDOCNQQQNKSZSR-UHFFFAOYSA-N 309.289 -0.055 30 20 DBED C[C@](CO)(NS(=O)(=O)c1ccc(C#N)c(F)c1)C(=O)O 1592755139 AAHYGGBKVPQCET-LLVKDONJSA-N 302.283 -0.189 30 20 DBED N#CCn1cc(NC(=O)C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3C(=O)O)cn1 1601079270 SPVXJRUWZMQIBW-MYJAWHEDSA-N 303.278 -0.866 30 20 DBED C=CCOC[C@@H](NC(=O)c1ccnn1CCN(C)C)C(=O)O 1602913413 PRRDNLQAWLWOKS-LLVKDONJSA-N 310.354 -0.170 30 20 DBED N#Cc1nc(NC[C@H]2C[C@@H]3COC[C@@H]3O2)cnc1-c1nn[nH]n1 1606393489 WPKHRYDJVPHHNC-MRTMQBJTSA-N 314.309 -0.256 30 20 DBED N#Cc1ccc(OC[C@H](O)CN2C[C@H](O)C[C@@H]2C(=O)O)cc1 1610629646 WKLPVBBNEFTCRN-YRGRVCCFSA-N 306.318 -0.182 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC[C@H](NC(=O)CNC(=O)OC)C1 1714923053 LYPKMQYMOGDHRS-RYUDHWBXSA-N 324.381 -0.939 30 20 DBED C=CCCn1cc(C(=O)NCCN(C)Cc2nncn2C)nn1 1753065995 KTINNWHNMFWXFC-UHFFFAOYSA-N 318.385 -0.156 30 20 DBED CC[C@H](CNC(=O)[C@H]1CCc2nncn2C1)NCC#CCOC 1753498172 VBEUBCUOKJCDBS-UONOGXRCSA-N 319.409 -0.025 30 20 DBED C[C@H](CNCC(=O)NCC#N)NC(=O)c1conc1C1CC1 1754244487 CJTXPEBMFKLSMB-SECBINFHSA-N 305.338 -0.100 30 20 DBED C=CCCC(=O)N[C@H](C)CN(C)Cc1cc(=O)n(C)c(=O)n1C 1754306170 NGMTWLDYALPYRC-GFCCVEGCSA-N 322.409 -0.013 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CNC(=O)[C@H]1CCN(C)[C@@H]1CC 1754481689 ACXKTDHWHWAYCM-QLFBSQMISA-N 320.437 -0.343 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC(O)(CNC(=O)c2cccn2C)C1 1754763098 HBWPJMVSRPNIBR-GFCCVEGCSA-N 320.393 -0.508 30 20 DBED C[C@H](O)CN[C@]1(CO)CCCN(C(=O)CSCC#N)C1 1755080595 IXHJHINMMSWNDW-WCQYABFASA-N 301.412 -0.433 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)c2cnsn2)C[C@@H]1C 1755104318 ZTPHEMSRNRHGGS-GXSJLCMTSA-N 307.379 -0.662 30 20 DBED CC1(C)CN(CC(=O)NCC#N)C[C@H]1NC(=O)Cn1cccn1 1755404150 BZAVRTWTXPKIER-GFCCVEGCSA-N 318.381 -0.651 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H](C)CN(C)C(=O)Cc1[nH]cnc1C 1755614779 RHLSHIWNOUSXPO-AAEUAGOBSA-N 319.409 -0.165 30 20 DBED C#CCNC(=O)CN1CC=C(CNC(=O)c2cnco2)CC1 1755891211 VSLUNUDTOQRVKM-UHFFFAOYSA-N 302.334 -0.214 30 20 DBED CNC(=O)CC(=O)N[C@H](C)[C@@H]1CN(C(=O)C#CC(C)C)CCO1 1756216248 HNHQLROPZFQJJA-OLZOCXBDSA-N 323.393 -0.486 30 20 DBED C=CCOCC(=O)N1CC2(CCN(C(=O)c3cnn(C)n3)C2)C1 1756830304 NPCGUZPLPGQPPG-UHFFFAOYSA-N 319.365 -0.308 30 20 DBED C[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)CSCC#N)C1)C1CC1 1756979992 XVORUBWMTOAWMF-YUSALJHKSA-N 311.407 -0.023 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(C(=O)c2cnco2)C[C@H]1OC 1757129156 XAHZNMHALFYSEW-DMDPSCGWSA-N 321.333 -0.332 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cn[nH]c1)C2 1800451236 UEHLXKYQWOGDKL-YWVIFJGQSA-N 316.361 -0.435 30 20 DBED C=CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CC(O)C1)C2 1800996807 UKWSFXKDRBPSMJ-VAVWAEKOSA-N 308.378 -0.077 30 20 DBED CCN(CC#N)C(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 68240894 OUXLRGNRRWPWJU-GHMZBOCLSA-N 313.379 -0.606 30 20 DBED N#CCCN(CCN1CCOCC1)CC(=O)NC[C@H]1CCCO1 78720727 ZVKBGHXQXFZOFT-OAHLLOKOSA-N 324.425 -0.171 30 20 DBED C=CCNC(=O)CNC(=O)N1CCN(CC(C)(C)O)C[C@H]1C 189070392 HQMPVQCRXORRKZ-GFCCVEGCSA-N 312.414 -0.225 30 20 DBED CN(CC(=O)N[C@](C)(C#N)C1CC1)C[C@@H](O)CN1CCOCC1 246296284 BLEMIADZKQMGOV-GDBMZVCRSA-N 324.425 -0.580 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H](C(=O)O)C2)C1=O 262695840 XLUIPFLPCUSURQ-SECBINFHSA-N 323.305 -0.714 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(C)Cc2nccn2C)C1=O 264244851 FRXXCPWNCXYCTF-UHFFFAOYSA-N 319.321 -0.645 30 20 DBED CC(C)(C#N)c1ccc(NC(=O)C(=O)NC(CO)CO)cc1 267441731 WDUNESODDFGIKT-UHFFFAOYSA-N 305.334 -0.104 30 20 DBED Cc1ccc(S(=O)(=O)N[C@H](C(=O)NCC#N)[C@H](C)O)cc1 272482357 QRNXZZZUQLMVCJ-JQWIXIFHSA-N 311.363 -0.338 30 20 DBED COC[C@@H](CO)NC(=O)C(=O)N1CCc2ccc(C#N)cc21 280328259 CSISMMQRENLKGZ-GFCCVEGCSA-N 303.318 -0.429 30 20 DBED C=C[C@H](CO)NC(=O)c1ccc(OC)c(S(=O)(=O)NC)c1 290624773 OWIGFXJCVHFTAP-SNVBAGLBSA-N 314.363 -0.120 30 20 DBED COC(=O)[C@H](CNC(=O)C(=O)Nc1ccc(F)c(C#N)c1)OC 293270969 GKHWYFYGGQAWOD-NSHDSACASA-N 323.280 -0.060 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@H](C)OC[C@@H]2C)C1=O 299560551 SDEHSCKAQSTEEM-UWVGGRQHSA-N 309.322 -0.401 30 20 DBED Cn1c(NCC(C)(C)S(C)(=O)=O)c(C#N)c(=O)n(C)c1=O 301510545 CZIVGWUUXVCKBC-UHFFFAOYSA-N 314.367 -0.809 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N1CCN2C(=O)CC[C@@H]2C1 336883908 HLZSZGQXFJPKDL-GHMZBOCLSA-N 300.384 -0.371 30 20 DBED CCN1CCC[C@H]1CNS(=O)(=O)N1CCO[C@@H](C#N)C1 336897336 OJBYWYAGHWHGPQ-RYUDHWBXSA-N 302.400 -0.471 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)NCc1nc(N(C)C)no1 336910001 WSEQWVLHGXHREZ-VIFPVBQESA-N 316.387 -0.048 30 20 DBED COC[C@@](C)(CC(=O)OC)NS(=O)(=O)N(C)C[C@@H](C)C#N 336934805 DZMVLEFGXKFNRN-CMPLNLGQSA-N 321.399 -0.120 30 20 DBED CNC(=O)N[C@H]1CCN(S(=O)(=O)N(C)[C@@H](C)CC#N)C1 337838386 UTONUGRJLYLEAX-UWVGGRQHSA-N 303.388 -0.532 30 20 DBED Cc1cc(NC(=O)C(=O)NC[C@H]2CCCN2C)nn1CCC#N 348813194 RIWBHQZMXAFFEN-GFCCVEGCSA-N 318.381 0.254 30 20 DBED N#Cc1ccc(S(=O)(=O)N[C@@H](CO)C(N)=O)c(Cl)c1 352595655 BLYXJWXPGMSLGF-QMMMGPOBSA-N 303.727 -0.664 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)NCCn2cnc(C#N)n2)cc1 356330601 HESIRJIRFZLTML-UHFFFAOYSA-N 323.316 -0.432 30 20 DBED C[C@@H](N1CCN(C(=O)NCC(=O)NCC#N)CC1)C(F)(F)F 358308168 HEGSZNADZHAZLZ-SECBINFHSA-N 321.303 -0.096 30 20 DBED N#CCN1CCN(C(=O)[C@@H]2COCCN2CC(F)(F)F)CC1 375084764 OAFACVCEJVSZSM-NSHDSACASA-N 320.315 -0.083 30 20 DBED C=CCOCCCC(=O)N1CCS(=O)(=O)[C@@H](C(=O)O)C1 424249148 SUTJSUGWAFXMIM-SNVBAGLBSA-N 305.352 -0.321 30 20 DBED C=CCn1cc(CNC(=O)[C@@H](NS(C)(=O)=O)C(C)C)nn1 424926799 UORUODNBBGHNSQ-NSHDSACASA-N 315.399 -0.346 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H](CNC)C2)C1=O 428792491 XAHDFNLMHBXFAM-LLVKDONJSA-N 322.365 -0.579 30 20 DBED C#CCN(CC)CC(=O)N(CCOC)[C@@H]1CCS(=O)(=O)C1 490781047 UYHGGICWXIKHNI-CYBMUJFWSA-N 316.423 -0.396 30 20 DBED C#CCNC(=O)CN1CCN(C[C@H](O)COCC(C)C)CC1 491126899 UHMMBXQIAIQWSW-HNNXBMFYSA-N 311.426 -0.613 30 20 DBED Cn1c(N[C@H]2C[C@@H]3CCCCN3C2=O)c(C#N)c(=O)n(C)c1=O 519528033 XPYNEAWCKPUYCY-ONGXEEELSA-N 317.349 -0.479 30 20 DBED CC(CO)(CO)CNCCS(=O)(=O)c1ccc(C#N)cn1 570720931 POZVKXPUJUECBO-UHFFFAOYSA-N 313.379 -0.693 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N1CC(C)(C)OC[C@@H]1C(=O)O 572411091 BYMDTIWBJFDILZ-NXEZZACHSA-N 319.383 -0.113 30 20 DBED CN1CCC[C@H](N2CCN(C(=O)NCC(=O)NCC#N)CC2)C1 588746739 XDROJTPBWINMNY-ZDUSSCGKSA-N 322.413 -0.952 30 20 DBED CCNC(=O)CN1CCN(C(=O)c2cccc(C#N)n2)CC1 589282874 HZEGCKZSZXGAKW-UHFFFAOYSA-N 301.350 -0.153 30 20 DBED COC(=O)c1cnn(C)c1NC(=O)C(=O)N1CC[C@@](F)(C#N)C1 590253598 KCYKROBXUFFPOZ-CYBMUJFWSA-N 323.284 -0.391 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)CSc2nnnn2C2CC2)C1 592840162 SDLIOJWFDYKUNF-GFCCVEGCSA-N 308.367 -0.023 30 20 DBED Cn1c(N2CC[C@H]3NC(=O)CC[C@@H]3C2)c(C#N)c(=O)n(C)c1=O 596457076 CYHPFERKTQADLL-MWLCHTKSSA-N 317.349 -0.939 30 20 DBED CCN(C[C@@H](C)C#N)C(=O)Cn1cc(CN(C)CCO)nn1 603210194 WDSRVUDLZXVPSH-LBPRGKRZSA-N 308.386 -0.290 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)NCc1nnnn1C1CC1 619711165 MWXNFTQVZRGPPA-SECBINFHSA-N 313.387 -0.176 30 20 DBED CC#CC[C@@H](CO)NC(=O)Nc1cc(C)n(CC(=O)NC)n1 646329282 IMMAIOXUQWMPKT-NSHDSACASA-N 307.354 -0.167 30 20 DBED C=CCn1cc(C(=O)NCCCN2CCC[C@@H](C(N)=O)C2)nn1 648762572 METSQDSJAIVAJJ-GFCCVEGCSA-N 320.397 -0.219 30 20 DBED C=C[C@H](CO)NC(=O)N[C@H]1CCN(CCN2CCOCC2)C1 660866149 XAFYPCRJPRYLSG-KGLIPLIRSA-N 312.414 -0.761 30 20 DBED C=CCN(C(=O)[C@H]1CCN(C)C1=O)[C@@H]1CCS(=O)(=O)C1 681536974 XAOZUUQWBFTQNE-MNOVXSKESA-N 300.380 -0.334 30 20 DBED C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CC[C@@](F)(C#N)C1 682435475 UJJHLSVSNLRURC-RMLUDKJBSA-N 323.328 -0.825 30 20 DBED C#CCC[C@H](O)CNC(=O)[C@@H]1CCCCN1S(C)(=O)=O 717926755 FEXSPCLEMWQJCA-RYUDHWBXSA-N 302.396 -0.309 30 20 DBED CCCCCNC(=O)[C@H](C#N)C(=O)c1cn(C)c(=O)n(C)c1=O 735209245 TUOYDCUKGUZHDK-SNVBAGLBSA-N 320.349 -0.287 30 20 DBED C#CCNC(=S)NCc1ccc(C(=O)NCC(N)=O)cc1 758195438 ZVYKLYBWBZANBW-UHFFFAOYSA-N 304.375 -0.501 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)[C@@](C)(O)Cn1c(C)cccc1=O 795774489 XNBVXDAWHWRGLG-LRDDRELGSA-N 320.345 -0.411 30 20 DBED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1cn(C)c(=O)n(C)c1=O 798039141 RHLAIZXWFXPXGX-ZYHUDNBSSA-N 307.350 -0.205 30 20 DBED C=CC[C@H](CO)CNC(=O)C(=O)N=c1ccnc2n(C)[nH]cc1-2 806963818 RTATTXVVCDDVQT-JTQLQIEISA-N 317.349 -0.419 30 20 DBED O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CC[C@@H](C(=O)O)C1 819691773 XTCDDHUUNCPTIA-NPAAXYOMSA-N 322.321 -0.371 30 20 DBED C#CCN(C)CCCNC(=O)Cn1cccc(C(=O)OC)c1=O 820688667 YBSNIGUQBRGDON-UHFFFAOYSA-N 319.361 -0.294 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)c2ccnc(C)c2)CC1 831574297 CVRCUBLDOZOARA-UHFFFAOYSA-N 322.390 -0.385 30 20 DBED COc1ccc(S(N)(=O)=O)cc1C(=O)N[C@H]1CNC[C@H]1C#N 834511200 JHRXZPPUDJNMEN-KCJUWKMLSA-N 324.362 -0.816 30 20 DBED C/N=C(/NCCN1CCOCC1)NCc1ccnc(N(C)C)n1 849076880 WGETVMQGOFJCIC-UHFFFAOYSA-N 321.429 -0.460 30 20 DBED Cn1nc(NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)ccc1=O 879897574 MUHFEAJGYVAVPM-LLVKDONJSA-N 302.338 -0.016 30 20 DBED CN1CCN(C(=O)C#Cc2ccc3c(c2)OCO3)[C@@H](CO)C1 912743371 VPOCBAYZDUODMC-CYBMUJFWSA-N 302.330 -0.098 30 20 DBED N#Cc1ccc(CN2CC(S(=O)(=O)N3CCNCC3)C2)cc1 923434207 SBMHMAQZCNGVBV-UHFFFAOYSA-N 320.418 -0.023 30 20 DBED C#CCN1CCC[C@H](NC(=O)C2=NN(CCO)C(=O)CC2)C1 923567105 RVCYAFLSCIAWBI-LBPRGKRZSA-N 306.366 -0.829 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)C(N)=O)C[C@H]2C)cn1 945482230 CMVDIWICBUVHOA-MFKMUULPSA-N 314.345 -0.485 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3C[C@H]2N(C(=O)c2cnon2)C3)c1 946881227 YCJWFBKTGQZMNV-XXILOJSOSA-N 312.289 -0.088 30 20 DBED O=C(NC[C@H]1CCN1C(=O)C#CC1CC1)[C@H]1CCS(=O)(=O)C1 951042184 DMAJMLQPZUSMAS-QWHCGFSZSA-N 324.402 -0.448 30 20 DBED C#Cc1cncc(C(=O)N2CC(N(C)C(=O)c3nc[nH]n3)C2)c1 955021367 LDYLLBAQMOAJTR-UHFFFAOYSA-N 310.317 -0.222 30 20 DBED C=CCN1C[C@H](CNC(=O)c2cn(C)nc2COC)[C@@H](O)C1 958183575 OZDOUSBIKFZURF-FZMZJTMJSA-N 308.382 -0.225 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cc(C)c(C(N)=O)cn2)C1 958409975 XTIIITIKBGLQBV-SMDDNHRTSA-N 316.361 -0.855 30 20 DBED C[C@@H]1CN(C(=O)CC(N)=O)C[C@@H]1CNC(=O)c1ccc(C#N)[nH]1 959413201 WMTYEKVETDFVBY-ZJUUUORDSA-N 317.349 -0.414 30 20 DBED CC#CCN1C[C@H]2[C@H](NC(=O)[C@H]3CCc4nnc(O)n4C3)[C@H]2C1 960656294 PLFDTJKMHJSTJZ-CIQGVGRVSA-N 315.377 -0.384 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)[C@H]3CCNC(=O)C3)C[C@@H]2C1 961351563 LKLPTBCHIOXBJE-XQHKEYJVSA-N 318.377 -0.411 30 20 DBED C[C@H](C#N)C(=O)N1CCC2(CC1)C[C@@H]2NC(=O)Cn1cncn1 965492820 XNKZQZHLELJKQK-NEPJUHHUSA-N 316.365 -0.065 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC2(CC[C@H](CNC(C)=O)O2)C1 965506085 XFHNZJHOCDQJBD-CABCVRRESA-N 319.405 -0.020 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(C[C@@H](NC(=O)CN3CCCC3)CO2)C1 965703259 VIFSIROPJQIRDB-QWHCGFSZSA-N 320.393 -0.272 30 20 DBED C#CCCN1CC([C@H](C)NC(=O)c2cnc(O)n(C)c2=O)C1 970262686 TYUSSZQVIZBAOR-JTQLQIEISA-N 304.350 -0.441 30 20 DBED C[C@H](NC(=O)c1cnn2c(=O)cc[nH]c12)C1CN(CC#N)C1 970546567 VVADFQXPFBSRAL-VIFPVBQESA-N 300.322 -0.404 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)c3cc[n+]([O-])cc3)C2)C1 972242186 KBSWGZUINRFZPV-MRXNPFEDSA-N 301.346 -0.130 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)C[C@@H]3CCC(=O)NC3)[C@H]2C1 976630260 WYKPUTJPVUSPJQ-QHUBEEEXSA-N 318.377 -0.365 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCCN([C@H]3CCC(=O)NC3=O)C2)C1 981671743 GLOYYYIMBWFTDP-NEPJUHHUSA-N 318.377 -0.124 30 20 DBED C#CCN1CCCN(C(=O)C2CC3(C2)NC(=O)NC3=O)CC1 982172695 JHUUHFJJIXEACM-UHFFFAOYSA-N 304.350 -0.858 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)CC(N)=O)C1 982569764 UHSAAWOBRWMBEH-TUAOUCFPSA-N 309.366 -0.582 30 20 DBED C[C@@H]1[C@@H](NC(=O)[C@H]2CN(C)CCO2)CCN1C(=O)C#CC1CC1 987508389 XINUUQPFJFYITJ-VHDGCEQUSA-N 319.405 -0.164 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCN(C(=O)CC)C[C@@H]2O)nn1 991488628 KZALBNJUXOOFSJ-PWSUYJOCSA-N 307.354 -0.434 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@H](NC(=O)c2cnn(C)n2)[C@H](O)C1 991607045 WYVRCJQWWVPGST-CMPLNLGQSA-N 321.381 -0.281 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@@H](NC(=O)c2nnn(C)n2)[C@H](O)C1 991668523 CJJYDNLLWDJUKG-NXEZZACHSA-N 322.369 -0.886 30 20 DBED N#Cc1ccc(C(=O)NC2CC(CNC(=O)c3cnn[nH]3)C2)[nH]1 992220949 CSCWMIMWPHWQDO-UHFFFAOYSA-N 313.321 -0.057 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CN(C(=O)C3(C(N)=O)CC3)C[C@@]2(C)C1 993351615 ILAHDYSRIJCBTN-JRPNMDOOSA-N 318.377 -0.282 30 20 DBED C#CCN1CCC[C@H](NC(=O)CN2C(=O)CN(C)C2=O)[C@@H]1C 994361285 GRSSMSMWVBPBMM-RYUDHWBXSA-N 306.366 -0.517 30 20 DBED C#CCN[C@H]1CN(C(=O)CN2C(=O)NC(C)(C)C2=O)CC1(C)C 996583569 JJJVJCHTZPFXCF-NSHDSACASA-N 320.393 -0.223 30 20 DBED C=C(Cl)CNC1CCN(C(=O)CN2C(=O)CNC2=O)CC1 997266282 BGMJHXZFGWGUNB-UHFFFAOYSA-N 314.773 -0.129 30 20 DBED N#Cc1c[nH]c(C(=O)N2CCC[C@@H](N[C@@H]3CCNC3=O)C2)c1 998850063 RNBSEVYINVOTRQ-VXGBXAGGSA-N 301.350 -0.031 30 20 DBED Cn1cc(C(=O)NCC2CN(C(=O)c3c[nH]c(C#N)c3)C2)nn1 1001716472 XUOGCDIGZWEFLB-UHFFFAOYSA-N 313.321 -0.483 30 20 DBED CN(C[C@H]1CCCN1C(=O)C#CC1CC1)C(=O)c1nnn(C)n1 1002488604 NXWNNQTZOPXMAT-GFCCVEGCSA-N 316.365 -0.314 30 20 DBED C=CCN1CC[C@@H](N2CC[C@H](NC(=O)c3[nH]nnc3C)C2)C1=O 1015478788 FFFHLOCUOSNJOW-NWDGAFQWSA-N 318.381 -0.296 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCN(C(=O)[C@@H]3CC(=O)N(C)C3)C2)C1 1019364740 LBGUXVCQUHUCIX-VXGBXAGGSA-N 318.377 -0.315 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCCO3)C[C@H]2O)[nH]1 1023429172 NFVRUWGNNSROLZ-UPJWGTAASA-N 318.333 -0.633 30 20 DBED C#CCN1CC[C@H](CNC(=O)c2ccc(-n3cnnn3)cn2)C1 1028714079 QTHJSSRWYSVYBA-GFCCVEGCSA-N 311.349 -0.258 30 20 DBED C=CCN1[C@H]2CC[C@H]1CN(C(=O)CCn1cc[nH]c(=O)c1=O)C2 1029517765 OPJCYEFSSZBKIV-STQMWFEESA-N 318.377 -0.212 30 20 DBED CN(C(=O)[C@H]1CCc2nnnn2CC1)[C@H]1CCN(CC#N)C1 1033435465 BNSRBJHJJFOHMQ-RYUDHWBXSA-N 303.370 -0.318 30 20 DBED C=C(Cl)CN1CCO[C@@H](CNC(=O)[C@@H]2COCCO2)C1 1035295884 ZFGWCDZSYCNZFH-RYUDHWBXSA-N 304.774 -0.029 30 20 DBED C#CCN1CC2(CCN(C(=O)CC[C@H]3NC(=O)NC3=O)CC2)C1 1035849777 HOZMKRJVQNXGKL-GFCCVEGCSA-N 318.377 -0.468 30 20 DBED C=CCN1CC[C@@H]2CN(C(=O)CN3CC(=O)N(C)C3=O)CC[C@@H]21 1036868244 JGJROXOZCLYXNV-OLZOCXBDSA-N 320.393 -0.011 30 20 DBED CS(=O)(=O)CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1ccc(C#N)[nH]1 1037365865 RZOFTPGJYKYJLC-JIMOISOXSA-N 322.390 -0.267 30 20 DBED C=C(C)CN1CC[C@H]1CNC(=O)C1CC2(C1)NC(=O)NC2=O 1038801881 POTYQBWTBLQRIZ-VTWZXRTESA-N 306.366 -0.259 30 20 DBED C#CCOCCC(=O)NC[C@]1(O)CCN(C(=O)[C@H]2CC23CC3)C1 1039722218 TVTNKQFTGNOUIN-CXAGYDPISA-N 320.389 -0.094 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)c2ccns2)C1 1040044504 HCTOEFFPMLRKBK-NOZJJQNGSA-N 308.363 -0.004 30 20 DBED Cc1n[nH]cc1C(=O)N1CC(O)(CNC(=O)CSCC#N)C1 1041575154 OOTRIHIIXNLCGN-UHFFFAOYSA-N 323.378 -0.722 30 20 DBED N#Cc1cnc(N[C@H]2C[C@@H](NC(=O)C(N)=O)C23CCC3)cn1 1041612136 QPCYYFDRWPUTDQ-VHSXEESVSA-N 300.322 -0.327 30 20 DBED C#CCC1(C(=O)N2CC(O)(CNC(=O)[C@@H](C)OC)C2)CCC1 1041764510 PGWCZBYFXSWQJL-GFCCVEGCSA-N 308.378 -0.096 30 20 DBED CO[C@@H](C)CC(=O)NCC1(O)CN(C(=O)c2c[nH]c(C#N)c2)C1 1041936931 HACHZYXLALNXJQ-JTQLQIEISA-N 320.349 -0.386 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)c2cc(C)[nH]n2)C1 1042039511 AGVYAPDLYDHYSU-UHFFFAOYSA-N 308.338 -0.776 30 20 DBED COC[C@@H](C)CC(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042960628 MHNPQNSNRCLGNO-LBPRGKRZSA-N 308.378 -0.238 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)c2oncc2C)C1 1043037077 XQJZZNBGTPNRQI-UHFFFAOYSA-N 321.333 -0.674 30 20 DBED C=CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)c2nc(C)c[nH]2)C1 1043573862 BFQPPYAPAYGFDZ-LLVKDONJSA-N 322.365 -0.388 30 20 DBED C=CCN[C@H]1CCN(C(=O)CN2CCN(C)C(=O)C2)[C@@H](C)C1 1044659883 QYDDPJRANPAKMV-KBPBESRZSA-N 308.426 -0.085 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCC(=O)N2C)C1 1044931205 ZKCVEOOSKRZCQD-LBPRGKRZSA-N 321.377 -0.900 30 20 DBED C=C[C@H](C)[C@H](C)C(=O)NCC1(O)CN(C(=O)CNC(C)=O)C1 1044976351 UMVJIINVXJTGBE-QWRGUYRKSA-N 311.382 -0.730 30 20 DBED CCn1nc(C)c(C(=O)N2CC(O)(CNC(=O)[C@@H](C)C#N)C2)n1 1045564794 NEWAMXFDCCWWQB-VIFPVBQESA-N 320.353 -0.931 30 20 DBED C=CCCN1C[C@H](O)[C@@H](N(C)C(=O)Cn2nc(C)ccc2=O)C1 1047605509 KIZGOPWGNUDWJC-KBPBESRZSA-N 320.393 -0.369 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCO2)C1 1048167204 VSOYZWJIMXWZKP-MELADBBJSA-N 308.378 -0.001 30 20 DBED C#CCN1C[C@H]2CN(C(=O)c3nc(O)nc(O)c3OC)C[C@H]2C1 1049168599 HXXSLHTTYNMVOG-AOOOYVTPSA-N 318.333 -0.467 30 20 DBED C[C@H](NC(=O)CSCC#N)[C@@H]1CCN(C(=O)CC(N)=O)C1 1050358033 ONVWLOFONRVMCW-VHSXEESVSA-N 312.395 -0.528 30 20 DBED C=CCOCC(=O)N[C@@H](C)[C@@H]1CCN(C(=O)c2ncn(C)n2)C1 1050619464 NYUYJIMDORQFAO-NWDGAFQWSA-N 321.381 -0.016 30 20 DBED C#CCCN1CCOC[C@H]1CNC(=O)[C@H]1CCCN(C(N)=O)C1 1051012098 SXQSAVMXUPYEDU-UONOGXRCSA-N 322.409 -0.383 30 20 DBED CC(C)C(=O)N1CCC[C@@H]1C(=O)NC[C@H]1COCCN1CC#N 1051248073 VXHBYUQAHZTGQL-UONOGXRCSA-N 322.409 -0.026 30 20 DBED N#Cc1ccc(N2CC[C@H](NC(=O)c3cnon3)[C@H](O)C2)cn1 1051716908 BZULPFVMHCGHRV-WCQYABFASA-N 314.305 -0.294 30 20 DBED C=CCCC(=O)N1C[C@H](CNC(=O)Cn2ncnn2)[C@@H](C)C1 1052182667 YGIRJVPWUJSZRX-RYUDHWBXSA-N 306.370 -0.150 30 20 DBED CC#CCN1CCC[C@@H](NC(=O)Cn2ccc(O)nc2=O)CC1 1052538036 QASGXOOWGULNLL-CYBMUJFWSA-N 318.377 -0.057 30 20 DBED C[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1CNC(=O)C1(C(N)=O)CC1 1052552454 BPNBIZKUVXLEJE-WCQYABFASA-N 317.389 -0.124 30 20 DBED C#CCN1CC2(C1)CN(C(=O)c1cc(OC)ncn1)CCO2 1053259100 DWAUHXAFQDJRGG-UHFFFAOYSA-N 302.334 -0.355 30 20 DBED N#CCN1CC2(C1)CN(C(=O)CCn1cnccc1=O)CCO2 1053487662 PJRNBMSYXKAGSQ-UHFFFAOYSA-N 317.349 -0.930 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)[C@@H]1CCCN1C(C)=O)CCO2 1053513685 TYBWOLOLMDXJTM-HNNXBMFYSA-N 319.405 -0.066 30 20 DBED Cc1[nH]nc(C(=O)NC[C@@H]2CCC3(CN(CC#N)C3)O2)c1O 1053590263 DBSBUCLJRQKAIS-JTQLQIEISA-N 305.338 -0.090 30 20 DBED C[C@@H](C(N)=O)N1CC2(C[C@@H](NC(=O)c3c[nH]c(C#N)c3)CO2)C1 1053778534 CYCNVTGOSFZNJK-JOYOIKCWSA-N 317.349 -0.667 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)Cc3cn(CC)nn3)CO2)C1 1053878171 CQTOMJULLAJAKP-CQSZACIVSA-N 317.393 -0.177 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)[C@H]3CCc4nncn4C3)CO2)C1 1054016516 DOMGTTNJFVZJCL-RYUDHWBXSA-N 316.365 -0.676 30 20 DBED C#CCN[C@@H]1CN(C(=O)C2CC3(C2)CS(=O)(=O)C3)C[C@H]1C 1054797408 GLINUSPGQZNMSL-DGCLKSJQSA-N 310.419 -0.119 30 20 DBED N#Cc1nccc(N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)Cc2nc[nH]n2)n1 1055098403 LUAKRXSYXOFFDL-VWYCJHECSA-N 324.348 -0.065 30 20 DBED N#Cc1cnc(N2CCN(C(=O)C[C@H]3COC(=O)C3)CC2)cn1 1055769573 RWYPMRHRAQGEDP-LLVKDONJSA-N 315.333 -0.050 30 20 DBED CN1C[C@@H](C(=O)N2CCN(c3ccnc(C#N)n3)CC2)CC1=O 1056056806 DKUJDYFDUXDSLJ-NSHDSACASA-N 314.349 -0.525 30 20 DBED C[C@@H](C#N)C(=O)N[C@@]1(CO)CCCN(C(=O)CC(C)(C)O)C1 1056093593 LHTHBPQLFAQQNT-NHYWBVRUSA-N 311.382 -0.223 30 20 DBED CCn1nncc1C(=O)NC1[C@H]2CN(c3nccnc3C#N)C[C@H]12 1056204094 WYIMEFKJMGIEIX-UWVGGRQHSA-N 324.348 -0.176 30 20 DBED C[C@@]1(C(=O)N2CC[C@@H](Nc3ccc(C#N)nn3)C2)CNC(=O)C1 1056738469 DHCHHJQSHNORNZ-ABAIWWIYSA-N 314.349 -0.113 30 20 DBED C=CCCO[C@H](C)C(=O)N(CCO)CCNC(=O)c1cn[nH]c1 1057143757 BNFYXRGUFNTHSB-GFCCVEGCSA-N 324.381 -0.058 30 20 DBED C=C(C)C[C@@H](C)C(=O)NCCN(CCO)C(=O)Cn1nccn1 1057702358 RPMCYXSOPXONFH-CYBMUJFWSA-N 323.397 -0.183 30 20 DBED N#Cc1cncc(N2CCC(NC(=O)Cn3cnnn3)CC2)n1 1057840864 XWTBQMVDQAZIDW-UHFFFAOYSA-N 313.325 -0.880 30 20 DBED C#Cc1ccc(C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N)cn1 1058240393 PLQIPYGNOUOGQL-LBPRGKRZSA-N 314.345 -0.227 30 20 DBED N#Cc1nccnc1N1CC[C@H](NC(=O)[C@@H]2CCCNC2=O)C1 1058467431 LQXYGGIRXOLKQY-WDEREUQCSA-N 314.349 -0.431 30 20 DBED Cc1ncn(C)c1C(=O)NCCN(CCO)C(=O)[C@H](C)C#N 1058658869 NIUQOBBLKQQWPA-SNVBAGLBSA-N 307.354 -0.561 30 20 DBED Cc1cncn1CC(=O)NCCN(CCO)C(=O)[C@@H](C)C#N 1058660747 HIEDIIPNHZPACM-NSHDSACASA-N 307.354 -0.712 30 20 DBED COc1nn(C)cc1C(=O)NCCN(CCO)C(=O)[C@H](C)C#N 1058661093 OPSUNQUTGPGRSF-SNVBAGLBSA-N 323.353 -0.861 30 20 DBED N#Cc1nccnc1N[C@H]1CCN(C(=O)[C@@H]2CCNC(=O)C2)C1 1058872421 OTPUELBXEXEVSU-MNOVXSKESA-N 314.349 -0.113 30 20 DBED N#Cc1ccc(C(=O)NCC[C@@H]2CCN(C(=O)C(N)=O)C2)[nH]1 1060271557 PYEUFLFNOQQWLG-SECBINFHSA-N 303.322 -0.660 30 20 DBED CC(=O)N(C)CC(=O)NCC[C@@H]1CCN(C(=O)[C@@H](C)C#N)C1 1060288475 ABLAFJWGHJMUSI-WCQYABFASA-N 308.382 -0.021 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1 1060826904 IYQHFZXLQLRZBR-SMDDNHRTSA-N 313.361 -0.086 30 20 DBED C=C1CCC(C(=O)N2CCOC[C@H]2CNC(=O)C(N)=O)CC1 1061840739 PDDUOYYWCHORHK-GFCCVEGCSA-N 309.366 -0.438 30 20 DBED N#Cc1cncc(NC[C@H]2CCCN2C(=O)[C@H]2CNC(=O)N2)n1 1063552734 XYZGVRNQPIIUHQ-GHMZBOCLSA-N 315.337 -0.567 30 20 DBED N#Cc1cnc(N2CCO[C@@H](CNC(=O)[C@H]3CCOC3)C2)cn1 1063618777 JTJZAVDQPPVERJ-AAEUAGOBSA-N 317.349 -0.294 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)C2(CN(C)C)CC2)C1 1065557983 XMLNCNMLBFZGMA-OLZOCXBDSA-N 322.409 -0.169 30 20 DBED N#Cc1nccc(N2CC[C@H]3[C@H]2CCCN3C(=O)C(N)=O)n1 1066183130 LOSYNEUAHSEMQN-ZJUUUORDSA-N 300.322 -0.597 30 20 DBED N#Cc1ccc(N2CCOC[C@H]2CNC(=O)[C@H]2CCOC2)nn1 1066469426 CKOPGQOZJLIQDZ-WCQYABFASA-N 317.349 -0.294 30 20 DBED C#CCO[C@H](C)C(=O)N1CC2(C[C@H](NC(=O)COCC)CO2)C1 1068676325 UFMTZFSBTFGROD-OLZOCXBDSA-N 324.377 -0.453 30 20 DBED C[C@H](C#N)C(=O)N1CC2(C[C@@H](NC(=O)CSCC#N)CO2)C1 1068710687 ITSHTGULABOHTM-GHMZBOCLSA-N 322.390 -0.111 30 20 DBED CCN(CC)CC(=O)N1CC2(C[C@@H](NC(=O)[C@@H](C)C#N)CO2)C1 1069002711 HIFYMQCPDHTRQD-QWHCGFSZSA-N 322.409 -0.026 30 20 DBED C[C@@H]1C[C@@H](N=c2cc[nH]c(C#N)n2)CN1C(=O)c1ncn(C)n1 1069086829 MEPZYXWQUYQPQX-NXEZZACHSA-N 312.337 -0.386 30 20 DBED CN(C(=O)[C@@H]1COC(=O)N1)C1CC(Nc2nccnc2C#N)C1 1069736111 WYTZVJVLRPTMQP-AMUVOQDHSA-N 316.321 -0.142 30 20 DBED C=CCN[C@@H]1CN(C(=O)c2cnnn2C)C[C@@H]1n1ccnn1 1070186946 XOSPBCMZIZXNIM-PWSUYJOCSA-N 302.342 -0.752 30 20 DBED N#CCN1CCNC(=O)CCN(C(=O)Cc2ccoc2)CC1 1070957384 AISBLVMCPWLHPV-UHFFFAOYSA-N 304.350 -0.004 30 20 DBED C#CCC1(C(=O)N2C[C@H](C)[C@H](NC(=O)C(N)=O)C2)CCOCC1 1072238627 YOHCUQRNNAVMGB-NWDGAFQWSA-N 321.377 -0.745 30 20 DBED C=CCCN1CCC2(C1)CN(C(=O)[C@H]1CCS(=O)(=O)N1)C2 1073439004 GTHVLRGWRHBKOR-GFCCVEGCSA-N 313.423 -0.212 30 20 DBED C#CCCCC(=O)N[C@H]1CCN(C(=O)c2nnn(C)n2)C[C@@H]1C 1073916085 IYXABTNQXJCVBU-RYUDHWBXSA-N 318.381 -0.020 30 20 DBED CC#CCN1CCO[C@H]2CCN(C(=O)C(C)(C)C(N)=O)C[C@H]21 1074270689 IPTXWGDJFPZRPR-OLZOCXBDSA-N 307.394 -0.177 30 20 DBED C[C@@H]1C[C@H](NC(=O)C#CC2CC2)CCN1C(=O)c1nnn(C)n1 1074984128 NWPVHKSYIKJZSH-ZYHUDNBSSA-N 316.365 -0.267 30 20 DBED C[C@@H](CCNC(=O)CS(C)(=O)=O)NC(=O)CSCC#N 1075815958 MYEWRUQGTAKDIC-VIFPVBQESA-N 321.424 -0.701 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H](C)CCNC(=O)[C@H]1CCC(=O)N1C 1077950157 GHQPSXBFNHJDHM-YNEHKIRRSA-N 323.393 -0.344 30 20 DBED CCN(C(=O)C[C@H]1CCNC1=O)C1CN(C(=O)C#CC2CC2)C1 1079896625 CUUAZDDSBSIZBN-CYBMUJFWSA-N 317.389 -0.015 30 20 DBED CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)CS(=O)(=O)CC)C1 1080420622 YEGWOIFEGOIURI-SNVBAGLBSA-N 315.395 -0.360 30 20 DBED C[C@H](C#N)C(=O)NC1(CO)CCN(C(=O)CC2(O)CCC2)CC1 1080980139 LGYWKMMRNPDIOL-GFCCVEGCSA-N 323.393 -0.079 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2cn(C)cn2)C[C@@H]1O 1081347505 WRYGVBAPIGSDNE-YPMHNXCESA-N 322.365 -0.828 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H]1CN(C(=O)CCCC)C[C@@H]1O 1081416130 BMRXOSZUZQRTOG-STQMWFEESA-N 323.393 -0.748 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H]1CN(C(=O)/C(C)=C/C)C[C@H]1O 1081418761 CHRFBASARYPJJN-PUZDAVHHSA-N 321.377 -0.972 30 20 DBED C#CCCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cnnn2C)C1 1081445109 QZWPFLTUWWJVMF-WCQYABFASA-N 319.365 -0.832 30 20 DBED C=CC(C)(C)C(=O)NC[C@H]1CN(C(=O)CNC(C)=O)C[C@H]1O 1081640834 RHNRFAZUOSJRJO-NWDGAFQWSA-N 311.382 -0.730 30 20 DBED C#CCCCC(=O)N1C[C@H](CNC(=O)CCN(C)C)[C@@H](O)C1 1081729032 FGUJWUJKLSVCNA-KBPBESRZSA-N 309.410 -0.323 30 20 DBED C#Cc1ccc(C(=O)N2C[C@@H](N[C@@H](C)C(N)=O)[C@H](C)C2)cn1 1082870744 JOZWOVKIFSASOF-UHIISALHSA-N 300.362 -0.013 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)Cc1cn(CC)nn1 1083150634 HSSXNBOHXIYXQB-UONOGXRCSA-N 303.366 -0.615 30 20 DBED CC#CCN1CC[C@@H]2CN(C(=O)CN3CCOCC3=O)[C@@H]2C1 1084410368 FDSLBNLHTKHTGT-ZIAGYGMSSA-N 305.378 -0.599 30 20 DBED CC1(C)C(=O)NC(=O)N1CC(=O)N[C@@H]1CCCC[C@H]1NCC#N 1085383588 NQEQGZMJGZPIHX-GHMZBOCLSA-N 321.381 -0.143 30 20 DBED N#CCN1CC[C@H](NC(=O)c2cncc3nc[nH]c23)[C@H](O)C1 1090276900 RAQKEWPQVDWJRN-CMPLNLGQSA-N 300.322 -0.354 30 20 DBED C=CCCN1CC[C@H](NC(=O)c2cccn3nnnc23)[C@@H](O)C1 1090296192 XFEQOIFKGCDVPT-STQMWFEESA-N 316.365 -0.135 30 20 DBED CC[C@@H](OC)C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1O 1090373928 PTQQJMJLMGAMTQ-IJLUTSLNSA-N 305.338 -0.561 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2ccnc3c2CC(=O)N3)[C@@H](O)C1 1090393340 JEMSBBCLNITEIC-OLZOCXBDSA-N 314.345 -0.626 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1O 1090408283 OKAFYGKSTZMXEN-XJKCOSOUSA-N 316.361 -0.054 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2cnn(CCOC)c2)[C@@H](O)C1 1090763430 IBKHHTLFAIEIFM-KGLIPLIRSA-N 306.366 -0.672 30 20 DBED COC[C@@H](C)CC(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1091137768 VETBVBRQRICAQO-TUAOUCFPSA-N 319.365 -0.313 30 20 DBED N#Cc1ccc(N2CC[C@@H](NC(=O)C#CC3CC3)[C@H](O)C2)nn1 1092150977 IXVXSHBNHRUZNM-ZIAGYGMSSA-N 311.345 -0.183 30 20 DBED C[C@@]1(CNC(=O)C(N)=O)CN(c2ncccc2C#N)CCO1 1092775141 PFRBDSXWSMIROG-CQSZACIVSA-N 303.322 -0.850 30 20 DBED C[C@@H](CC(N)=O)C(=O)N1CCN(c2cncc(C#N)n2)CC1 1093194258 FASNZNJDPSLTCC-JTQLQIEISA-N 302.338 -0.492 30 20 DBED CC#CCN1C[C@@H]2CC[C@H](C1)N2C1CCN(C(=O)C(N)=O)CC1 1093488149 HZXLRYLEALIFBV-GASCZTMLSA-N 318.421 -0.365 30 20 DBED N#CCN1CC(OC2CCN(C(=O)C[C@@H]3CCC(=O)N3)CC2)C1 1093583985 VDZMEFRKPBCPFA-LBPRGKRZSA-N 320.393 -0.130 30 20 DBED C[C@]1(C(=O)NCCN=c2cc[nH]cc2C#N)CCC(=O)NC1 1094059637 ONNXDWUDCPTZFX-HNNXBMFYSA-N 301.350 -0.180 30 20 DBED N#Cc1nc(=NCCNC(=O)c2ccoc2CC(N)=O)cc[nH]1 1094068954 DFWVEDZNDGPDKV-UHFFFAOYSA-N 314.305 -0.767 30 20 DBED Cc1cc(C#N)nc(NCCNC(=O)[C@@H]2CCC(=O)NC2)n1 1094255653 VJKUTOMRZUOCBE-SNVBAGLBSA-N 302.338 -0.289 30 20 DBED Cc1nc(NCCCNC(=O)Cn2cnnn2)ccc1C#N 1094314347 BRTBQGHYHYUPOK-UHFFFAOYSA-N 300.326 -0.133 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)c3cncnc3C)CC2=O)C1 1094705760 QBRUUZANWGDDIU-LBPRGKRZSA-N 315.377 -0.014 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)[C@H]3CCCCO3)CC2=O)C1 1094727900 RAHWMJRCQFDRCQ-GXTWGEPZSA-N 305.378 -0.410 30 20 DBED Cc1nn(C)cc1CC(=O)NCCCN=c1cc[nH]c(C#N)n1 1094859538 TZJIKIMINJLLDL-UHFFFAOYSA-N 313.365 -0.027 30 20 DBED CC(=O)N[C@@H](C)C(=O)N1CC[C@H](N(C)c2ccnc(C#N)n2)C1 1095090604 RSOFFRIRLJUKAL-JQWIXIFHSA-N 316.365 -0.090 30 20 DBED CC(=O)N(C)CC(=O)N1CCC(N=c2cc[nH]c(C#N)n2)CC1 1095216112 SFYUXQOTCUIFAG-UHFFFAOYSA-N 316.365 -0.349 30 20 DBED CN(CCCNC(=O)[C@@H]1CCCNC1=O)c1ccc(C#N)nn1 1095665301 HRCGFTURAPOWMG-GFCCVEGCSA-N 316.365 -0.183 30 20 DBED CNC(=O)CCCC(=O)N[C@@H]1CCN(c2cnc(C#N)cn2)C1 1096363308 SWJMWDGLVYOIRW-LLVKDONJSA-N 316.365 -0.041 30 20 DBED Cc1cc(C#N)nc(N2CC[C@@H](NC(=O)[C@H](C)CC(N)=O)C2)n1 1096459239 ZXXPKTKEYKIXDY-MWLCHTKSSA-N 316.365 -0.137 30 20 DBED CC(=O)NCC(=O)NC[C@H](Nc1cnc(C#N)cn1)C1CC1 1096560231 UWXFFPMIUQODEE-LBPRGKRZSA-N 302.338 -0.209 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1c[nH]nc1S(N)(=O)=O 1097817117 PSYSXULDOXHULY-IEBDPFPHSA-N 323.378 -0.975 30 20 DBED C[C@H](CNC(=O)[C@]1(C)CCC(=O)N1)Nc1nccnc1C#N 1098238434 XPRXEQYBFPBXFF-OTYXRUKQSA-N 302.338 -0.066 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCC(N(CCO)CC(N)=O)CC1 1098354181 NEXWUHAYEOMQHA-OAHLLOKOSA-N 313.398 -0.916 30 20 DBED CNC(=O)CC(=O)N[C@H]1CCC[C@@H](N=c2cc[nH]c(C#N)n2)C1 1098618331 ZHJJIVLOBIBFBV-MNOVXSKESA-N 316.365 -0.254 30 20 DBED C[C@H](CCNC(=O)[C@@]1(C)CNC(=O)C1)N=c1cc[nH]c(C#N)n1 1099597719 JEJXLMJMOPTFEW-MEBBXXQBSA-N 316.365 -0.397 30 20 DBED Cn1nccc1COCC(=O)N[C@@H]1CCN(CC#N)C[C@@H]1O 1099890209 ONNTXTPDPQWCSV-OLZOCXBDSA-N 307.354 -0.988 30 20 DBED C=CCCCN1CC[C@@H](NC(=O)C(=O)NCC(F)F)[C@@H](O)C1 1099901563 KWRKBBICNHJIIA-MNOVXSKESA-N 319.352 -0.115 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)Cc2cscn2)[C@H](O)C1 1100023972 BTAFIYHKDDUFMS-ZIAGYGMSSA-N 323.418 -0.113 30 20 DBED C#CCCN1CC[C@H](NC(=O)CC(=O)NCC2CC2)[C@@H](O)C1 1100070222 QUUSMDGRWBXRNM-KBPBESRZSA-N 307.394 -0.523 30 20 DBED C=CCNC(=O)CNC1CC(CNC(=O)Cc2n[nH]c(C)n2)C1 1100318643 XDIYHJRCMIGSLQ-UHFFFAOYSA-N 320.397 -0.558 30 20 DBED CCN(CCNC(=O)C[C@@H]1CCNC1=O)c1ccnc(C#N)n1 1100635182 FFLMXVDTPMTWLL-NSHDSACASA-N 316.365 -0.183 30 20 DBED C#CCCNC1CC(CNC(=O)[C@H](C)NS(C)(=O)=O)C1 1100705485 HRGKVFVIMMYNSM-UNXYVOJBSA-N 301.412 -0.568 30 20 DBED N#Cc1ccc(N2CCC[C@@H]2CNC(=O)CNC(N)=O)nc1 1100779854 WNSUNBNQFLYHFI-LLVKDONJSA-N 302.338 -0.293 30 20 DBED COCC(=O)NCCC(=O)N1C[C@H]2CN(CC#N)C[C@@]2(C)C1 1101257909 SMJHCBBFJLBFPR-DOMZBBRYSA-N 308.382 -0.557 30 20 DBED N#Cc1cnc(N(CCNC(=O)[C@H]2CCC(=O)N2)C2CC2)cn1 1101304225 XEDCKKWRBKEQLZ-GFCCVEGCSA-N 314.349 -0.288 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)CS(C)(=O)=O)c3nccn32)C1 1101612443 WVYCCBHVVKMNHJ-NSHDSACASA-N 322.390 -0.867 30 20 DBED CCN(C(=O)CNC(N)=O)[C@H]1CCN(c2cncc(C#N)n2)C1 1102780362 YNBSNWZCWNGTLQ-NSHDSACASA-N 317.353 -0.556 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)CN1CCCC1=O 1104447840 PEQPRXJYXHGRBV-NSHDSACASA-N 316.365 -0.349 30 20 DBED COCCOCC(=O)N(C)[C@H](C)CN=c1cc[nH]c(C#N)n1 1104529670 HFSUSKYMHZFLCN-LLVKDONJSA-N 307.354 -0.308 30 20 DBED C#CCNCc1cn(C2CN(C(=O)c3cc[n+]([O-])cc3)C2)nn1 1105144690 ILZIGYVFGDHDJL-UHFFFAOYSA-N 312.333 -0.669 30 20 DBED CC(=O)N[C@H](C)C(=O)NC[C@@H](O)CNc1nc(C)cc(C#N)n1 1105735300 ONUFXHHHOQCALF-BXKDBHETSA-N 320.353 -0.930 30 20 DBED CCn1nncc1C(=O)NC[C@H](O)CN=c1cc[nH]cc1C#N 1105822770 VNMPXJDESAHBKR-LLVKDONJSA-N 315.337 -0.811 30 20 DBED C[C@@](O)(CC(=O)NC[C@H](O)CN=c1cc[nH]cc1C#N)C1CC1 1105827186 OKZPQHJWAHCPSB-CZUORRHYSA-N 318.377 -0.185 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](O)CNC(=O)CCCC(N)=O)n1 1105883031 QFGAIIUZXMJBOX-NSHDSACASA-N 320.353 -0.799 30 20 DBED C=CCCOCC(=O)NC[C@H](O)CNc1nc[nH]c2ncnc1-2 1105889596 FMUQJLXGXCOHMU-JTQLQIEISA-N 320.353 -0.214 30 20 DBED Cc1cnoc1C(=O)NC[C@@H](O)CNc1nccnc1C#N 1105939378 PTVKTMDRSLFNMW-VIFPVBQESA-N 302.294 -0.153 30 20 DBED N#Cc1nccnc1NC[C@@H](O)CNC(=O)[C@@]1(F)CCOC1 1106073810 YTDVFRCMNNGWBM-NOZJJQNGSA-N 309.301 -0.634 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](O)CNC(=O)c2nc(C)c[nH]2)n1 1106135303 QTNSZWYRMYYWMH-NSHDSACASA-N 315.337 -0.109 30 20 DBED N#Cc1cnc(NC/C=C\CNC(=O)[C@@H]2COCCO2)cn1 1107043555 FSBRCXYZYVHNBQ-BIOMNHJASA-N 303.322 -0.152 30 20 DBED CS(=O)(=O)CC(=O)NC/C=C/CNc1cncc(C#N)n1 1107106222 XCZZCWBOQXBUDN-NSCUHMNNSA-N 309.351 -0.523 30 20 DBED C=C(C)CCC(=O)NCc1cn(C2CN(CC(=O)NC)C2)nn1 1107175628 QNQAZEMRRQJMRU-UHFFFAOYSA-N 320.397 -0.147 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)c1cnn2cc[nH]c12 1107863342 PPKKPFONUBXCHJ-SECBINFHSA-N 310.321 -0.024 30 20 DBED C#CCCN1CCO[C@@](C)(CNC(=O)[C@H]2COCCN2C)C1 1107883402 SMXADOJNVWQZLL-ZBFHGGJFSA-N 309.410 -0.453 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)c2cnc3n2CCOC3)C1 1108007658 CTJKJORXHLDNFQ-MRXNPFEDSA-N 318.377 -0.133 30 20 DBED C[C@H](CNc1cncc(C#N)n1)NC(=O)[C@H]1CCN(C)C1=O 1108072081 XAOQXUGWUYSYIH-MWLCHTKSSA-N 302.338 -0.257 30 20 DBED C=CCOCCN1CCO[C@](C)(CNC(=O)Cn2cncn2)C1 1108383347 CFBPHKAQOFLAIX-OAHLLOKOSA-N 323.397 -0.312 30 20 DBED C=CCCN1CC(N2C[C@H](NC(=O)[C@H](C)NC(C)=O)CC2=O)C1 1108500658 WTKFZRWVPKKTOQ-WCQYABFASA-N 322.409 -0.512 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)[C@]1(C)CNC(=O)C1 1108610447 GLSYREQXNVPFFO-XPTSAGLGSA-N 302.338 -0.787 30 20 DBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1csnn1 1109571373 XHSSGIAKTWPKDB-YWVKMMECSA-N 320.378 -0.487 30 20 DBED C=CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H](C)NS(C)(=O)=O 1109760877 WQDRKNPHGRRKPI-WYUUTHIRSA-N 301.412 -0.168 30 20 DBED N#Cc1c[nH]ccc1=NC1(CNC(=O)[C@@H]2COCCO2)CC1 1110058518 MWGLMJHOQBEGHS-ZDUSSCGKSA-N 302.334 -0.149 30 20 DBED CN1CCO[C@H](C(=O)NCC2(Nc3cncc(C#N)n3)CC2)C1 1110091938 YVZPNRCXLVUHBY-LBPRGKRZSA-N 316.365 -0.260 30 20 DBED COCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1110325578 ADIMPQZREWWLHE-UPJWGTAASA-N 308.382 -0.226 30 20 DBED C[C@@H]1CN(c2ccc(C#N)cn2)CC[C@@H]1NC(=O)CNC(N)=O 1112392940 NQWQKRAFTJIYIH-PWSUYJOCSA-N 316.365 -0.047 30 20 DBED CSCC(=O)NC[C@@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1112700406 SFHCLWQUKHEWKB-KOLCDFICSA-N 307.379 -0.375 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)[C@H]2C[C@H]3C=C[C@H]2O3)CC1 1113037482 KOWFAYSBSTZPML-FRRDWIJNSA-N 304.350 -0.886 30 20 DBED C[C@H](NC(=O)C1(C(N)=O)CC1)[C@H](C)Nc1nccnc1C#N 1113274729 VEJULWKWRPKYTR-IUCAKERBSA-N 302.338 -0.081 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)N(C)c1ccc(C#N)cn1 1113802135 IGYCYGVFPYCMJL-JQWIXIFHSA-N 316.365 -0.082 30 20 DBED C[C@H](CNC(=O)[C@@H]1CCN(C)C1=O)N(C)c1ccc(C#N)nn1 1113827373 ZHSQLASTYPMXTO-PWSUYJOCSA-N 316.365 -0.233 30 20 DBED COCC#CCN1C[C@@H]2C(NC(=O)CCn3cncn3)[C@H]2C1 1113871553 XIPZEDAIFVTXBP-STQMWFEESA-N 303.366 -0.636 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)c3cc(C)[nH]n3)[C@@H]2C1 1113947503 BMRIMGQBLREAFM-GHMZBOCLSA-N 301.350 -0.872 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CN(c2cnc(C#N)cn2)CC[C@H]1C 1113993944 GTXSHDHETBUYIV-ZWNOBZJWSA-N 316.365 -0.185 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)c3nccnc3N)[C@@H]2C1 1114058082 QGNRKRNNNZEKIB-NXEZZACHSA-N 316.365 -0.979 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3cnnc(C)c3)[C@H]2C1 1114175831 LNHFOUOSKCVRIV-NHAGDIPZSA-N 315.377 -0.253 30 20 DBED CCCC[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)CNC(N)=O 1114213861 ODFAGPVHKXRWQV-JTQLQIEISA-N 319.369 -0.475 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)CCCCC(N)=O)[C@H]2C1 1115085555 FCBAERSSTMEILO-RYUDHWBXSA-N 322.409 -0.619 30 20 DBED C#CCNC(=O)CC(=O)NCCOCCN(C)c1ncccn1 1115193955 MIUXNSPXUBNXSM-UHFFFAOYSA-N 319.365 -0.815 30 20 DBED C=C(C)COCCNC(=O)C(=O)N(C[C@@H](C)O)[C@H](C)CO 1117557493 CYCHIPWBSGYNOT-VXGBXAGGSA-N 302.371 -0.715 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@@H](COC)C(C)C 1117630017 XPLUQKXOVCYWHB-NSHDSACASA-N 320.411 -0.509 30 20 DBED C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)[C@H]1CCO 1118472664 SGWSBTJFLFUVLA-WWGRRREGSA-N 323.393 -0.127 30 20 DBED CC[C@H](OC)C(=O)NC[C@H](CO)Nc1nc(C)cc(C#N)n1 1121177559 MPNMUWGUIAWWTA-NEPJUHHUSA-N 307.354 -0.029 30 20 DBED C#CCN1CCN(c2nnc(CN3CCC[C@H](O)C3)n2C)CC1 1121391663 NAPAVVSTUGBJMR-AWEZNQCLSA-N 318.425 -0.473 30 20 DBED Cn1nccc1CC(=O)NC[C@@H](CO)Nc1nccnc1C#N 1121412046 KCRSLIMXDWDPSG-JTQLQIEISA-N 315.337 -0.787 30 20 DBED CC(=O)NC(C)(C)C(=O)NC[C@H](CO)Nc1ccc(C#N)cn1 1121777118 GTPKSMPLXYNVTK-GFCCVEGCSA-N 319.365 -0.243 30 20 DBED CCC[C@@H](OCC)C(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1 1122431224 UNWSHCIIIUIYMD-NWDGAFQWSA-N 321.381 -0.136 30 20 DBED COCCN(CCNC(=O)[C@H]1CCOC1)c1nccnc1C#N 1126247129 HMDQDEWEUGHQEN-LBPRGKRZSA-N 319.365 -0.046 30 20 DBED CC(C)C#CC(=O)NCCNCc1cc(=O)n2nccc2[nH]1 1126834394 QDLNEGJFMOBULO-UHFFFAOYSA-N 301.350 -0.112 30 20 DBED COCC(=O)N(C)CC(=O)NCCNCc1ccc(C#N)cc1 1128618942 GSTJBWWQOJOQRA-UHFFFAOYSA-N 318.377 -0.131 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1ccc(OCC)nc1 1128752976 LVLNKEIDJDZJRS-LBPRGKRZSA-N 318.377 -0.062 30 20 DBED C=CCCC(=O)N1C[C@H](n2ccnn2)[C@H](N[C@H](CC)C(N)=O)C1 1129671381 PLENQWJEAGFKPE-UPJWGTAASA-N 320.397 -0.150 30 20 DBED C=CCN[C@@H]1CN(C(=O)CNC(=O)CC)C[C@@H]1n1ccnn1 1129684794 KVODAXSQTSNIPD-NEPJUHHUSA-N 306.370 -0.668 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)c2c(C)ncn2C)C1=O 1129963103 QKAFSIFTNKAEHB-LBPRGKRZSA-N 305.382 -0.165 30 20 DBED C=CCN[C@@H]1CN(C(=O)[C@@H](CC)NC(C)=O)C[C@@H]1n1ccnn1 1130020632 PEDFQQDUACSAKY-MCIONIFRSA-N 320.397 -0.280 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@@H](C)CCOC)C[C@@H]1n1ccnn1 1130129517 LPCCUEPGDYJYEA-MJBXVCDLSA-N 305.382 -0.075 30 20 DBED C=CCN[C@@H]1CN(C(=O)CC(=O)NC)C[C@H]1c1cncn1C 1130966913 KGVRFAVGFJGYTK-VXGBXAGGSA-N 305.382 -0.374 30 20 DBED C#CCN1CC[C@]2(C1)CN(C(=O)CNC(=O)OC)C[C@H](C)O2 1131637858 CSMLCEWVGIGIMS-WFASDCNBSA-N 309.366 -0.333 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)Cc1cnoc1 1132740049 XXLMFMFKILOXCC-UHFFFAOYSA-N 307.354 -0.315 30 20 DBED C#CCNC[C@H]1CN(C(=O)CS(=O)(=O)NC)CC[C@H]1C 1133332897 ARTIESQCZKZLHV-NEPJUHHUSA-N 301.412 -0.757 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1nnn(CC)c1CC 1133743492 XZBZEYWQTADLAZ-UHFFFAOYSA-N 308.386 -0.518 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)[C@@H]1C[C@]12CCOC2 1147004414 WVRPQEOWBFFAET-BBRMVZONSA-N 322.409 -0.119 30 20 DBED NC(=O)NCCC(=O)NCCNCC#Cc1ccc(F)cc1 1150423039 BSZKGXIERZHLFT-UHFFFAOYSA-N 306.341 -0.059 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)Cc1cnn(C)c1 1155563491 ARUBKUJBXKTSGL-LBPRGKRZSA-N 305.382 -0.804 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)[C@H]2CCC(=O)N2)C1=O 1155749321 VARVBNSSGXTYHO-NEPJUHHUSA-N 308.382 -0.852 30 20 DBED C#CCN(C)C[C@H]1CCCCN1C(=O)C1CC(=O)NC(=O)C1 1158605262 SLIBESQBWCWJHZ-CYBMUJFWSA-N 305.378 -0.015 30 20 DBED COCC1(CNC(=O)[C@@H]2CCC(=O)NC2)CCN(CC#N)CC1 1162343308 JJQISOCUFHPJPL-CYBMUJFWSA-N 322.409 -0.119 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)[C@@H](C)c1cncnc1 1164514160 VCWASDIBZAVCAG-STQMWFEESA-N 317.393 -0.186 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1cn2ccccc2n1 1175264892 LRNBWXDMDPAFPU-UHFFFAOYSA-N 313.361 -0.207 30 20 DBED C=CCNC[C@H]1C[C@H]2CC[C@H]1N(C(=O)Cn1ncn(C)c1=O)C2 1177814357 FAFTVXACQSPCCW-MGPQQGTHSA-N 319.409 -0.016 30 20 DBED O=C(CN[C@@H]1CCN(C(=O)C#CC2CC2)C1)NC[C@H]1CCOC1 1182414797 PYLJYXFDVGIRDE-HUUCEWRRSA-N 319.405 -0.257 30 20 DBED Cc1nn(CC(=O)N2CC[C@H](CNCC#N)[C@H](C)C2)c(=O)n1C 1185595936 XRQJWULPWXZSQU-DGCLKSJQSA-N 320.397 -0.512 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)COCCOC)C1 1189400082 HADAXUYTFKHGPD-CYBMUJFWSA-N 313.398 -0.516 30 20 DBED C=CCCCN(C)[C@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 1190247810 SUBSJEUSUSDYOB-LBPRGKRZSA-N 320.397 -0.124 30 20 DBED CCc1nnc(CN2C[C@@H](O)[C@H](NC(=O)[C@H](C)C#N)C2)s1 1191865507 WEVLELXZRIMQHB-OPRDCNLKSA-N 309.395 -0.079 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H](CC)SC)C1 1192256614 GCVKSVHIFYYYFM-UTUOFQBUSA-N 313.423 -0.961 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2ccn(CC)n2)C1 1192671449 KRIFKNJFMDPXPC-ZDUSSCGKSA-N 317.393 -0.201 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)CNC(=O)C2CC2)CC1 1194947090 YUCFUAPNCPEXNL-UHFFFAOYSA-N 322.409 -0.651 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCCN(CC(=O)NCC#N)CC1 1195652216 LTHBZTYBFIAPKO-HNNXBMFYSA-N 308.382 -0.512 30 20 DBED Cc1nc(C)n(CCCC(=O)N[C@@H]2CN(CC#N)C[C@H]2O)n1 1197673956 NXSDDYGRQQLOOI-CHWSQXEVSA-N 306.370 -0.640 30 20 DBED C#CCNC(=O)CNC[C@H]1CN(C(=O)C2CC=CC2)CCCO1 1200163677 BSSQFIQSCUFTFJ-HNNXBMFYSA-N 319.405 -0.091 30 20 DBED C=CCN[C@@H]1C[C@@H](NC(=O)CS(=O)(=O)NC)C12CCC2 1203743164 REXAYIKZMHBHSY-GHMZBOCLSA-N 301.412 -0.261 30 20 DBED CCS(=O)(=O)CC(=O)N1CCC(NCC#CCOC)CC1 1203910935 RKLQNNNJUQGRTK-UHFFFAOYSA-N 316.423 -0.349 30 20 DBED C#CCN[C@H]1CCCN(C(=O)[C@H](C)NS(=O)(=O)CC)C1 1208110584 NZGBHNLQACABCH-RYUDHWBXSA-N 301.412 -0.472 30 20 DBED N#CCNC(=O)CN[C@H]1CCCN(C(=O)CCc2cnc[nH]2)C1 1208299140 KSHQLIQNMKXGRL-ZDUSSCGKSA-N 318.381 -0.437 30 20 DBED Cc1n[nH]c(C)c1C(=O)N1C[C@@H](NCC(=O)NCC#N)[C@H](C)C1 1215956557 IYMZXWXBJYRIJZ-BXKDBHETSA-N 318.381 -0.284 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2ccncn2)C[C@H]1C 1215998775 BCKMEQDBINDUJG-MBNYWOFBSA-N 315.377 -0.335 30 20 DBED CC(C)C#CC(=O)N1CCO[C@@H]2CN(CCn3cncn3)C[C@@H]21 1217839576 LTPFOYNIIBRKCK-LSDHHAIUSA-N 317.393 -0.151 30 20 DBED C[C@]1(CCC(=O)N2CCO[C@@H]3CN(CC#N)C[C@@H]32)CCC(=O)N1 1219077481 YZCVQKUODPSJQM-WOSRLPQWSA-N 320.393 -0.130 30 20 DBED CC(C)N(C(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H](C)C#N)C1)C(C)C 1219379079 NAVLOLBUUPLWGC-MJBXVCDLSA-N 324.425 -0.047 30 20 DBED C=CCn1cccc1C(=O)N[C@@H]1CN(C[C@@H](O)COC)C[C@@H]1O 1219806776 NJRVZGKHFTYEPI-NFAWXSAZSA-N 323.393 -0.544 30 20 DBED C=CCCCN1C[C@H](O)[C@H](NC(=O)[C@H]2COCCN2CC)C1 1219919946 UTEAEHSNYCTIOS-KFWWJZLASA-N 311.426 -0.165 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)CCc2cccnc2)C1 1219956761 NCFLTPZLAJNTEO-CVEARBPZSA-N 317.389 -0.175 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@H](C)CC(F)F)C1 1220029990 SEZOGKNTYOXPNM-MXWKQRLJSA-N 317.336 -0.812 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)C[C@@H](C)n2ccnc2)C1 1220441902 RLHXTHWYWJDYOX-KFWWJZLASA-N 320.393 -0.355 30 20 DBED C#CCN1CCC(CNC(=O)CN2C(=O)NC(=O)C2(C)C)CC1 1225075736 KJTXXJGPPWOZPW-UHFFFAOYSA-N 320.393 -0.222 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)c2cc(C)n(C)n2)CC1 1226292078 VJXXRIKQWRXHTB-UHFFFAOYSA-N 317.393 -0.328 30 20 DBED CC#CCN[C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1NC(=O)NC1=O 1226853901 XKEMMMMFUKPKJP-UTUOFQBUSA-N 306.366 -0.375 30 20 DBED C#CCN1CCS(=O)(=O)[C@@H](CCNC(=O)CSC)C1 1230416156 AKDGALDOTBSRCZ-NSHDSACASA-N 304.437 -0.412 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)c1cncnc1C 1230856028 SYWGKQVIWBQSCB-ZDUSSCGKSA-N 315.377 -0.319 30 20 DBED C#CCCN1CC[C@H]1CN(C)C(=O)CCNS(C)(=O)=O 1234922004 HYRLAFGZKRMWSB-LBPRGKRZSA-N 301.412 -0.518 30 20 DBED C=C(C)CN1CCC(NC(=O)C(=O)Nc2cnnn2C)CC1 1261202280 HVTVKSYABUTEJD-UHFFFAOYSA-N 306.370 -0.090 30 20 DBED CCOC(=O)C1(CNC(=O)C(=O)Nc2cnn(CC#N)c2)CC1 1320464566 WXIGGZCAIUZYCS-UHFFFAOYSA-N 319.321 -0.195 30 20 DBED N#CCOc1ccc(NC(=O)C(=O)N[C@H]2CNC(=O)C2)cc1 1320580844 XPOCBOIUAFMAHL-SNVBAGLBSA-N 302.290 -0.468 30 20 DBED CNC(=O)CNC(=S)NN=Cc1c(C)nn(CCO)c1C 1321696164 YGANLEMFCIBKDI-UHFFFAOYSA-N 312.399 -0.964 30 20 DBED C#C[C@@H](NC(=O)C(=O)N1C[C@@H]2CCC[C@]2(CN)C1)[C@H]1CCCO1 1326548529 CILRQJJZTRLRMW-CFAJVAMVSA-N 319.405 -0.129 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)N2CCC[C@H](CN)C2)CCN1C1CC1 1332117621 XDMRCAZHYYNYCX-OCCSQVGLSA-N 319.409 -0.618 30 20 DBED N#C[C@H]1CCCN(C(=O)C(=O)NCCOC[C@@H]2CCOC2)C1 1333138202 MAGHHMJDNAESEA-CHWSQXEVSA-N 309.366 -0.082 30 20 DBED CC[C@@H](CN1CCOCC1)NC(=O)C(=O)N1CCC[C@@H](C#N)C1 1336240880 KLYGANDIQUQQQF-KBPBESRZSA-N 322.409 -0.024 30 20 DBED C=C(C)Cn1c([C@@H](O)COC)nnc1N1CCCNC(=O)C1 1343272424 YHPOMVJODOFBBS-NSHDSACASA-N 309.370 -0.140 30 20 DBED C#CCCCNC(=O)C(=O)N1CCCN(S(C)(=O)=O)CC1 1346491552 BGSIYIITPMLFSC-UHFFFAOYSA-N 315.395 -0.990 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC(=O)N(C)C1 1347551284 KAODHGHKBLVILO-WZRBSPASSA-N 309.366 -0.569 30 20 DBED CNC(=O)[C@H](C)NC(=O)C(=O)Nc1ccc(OCC#N)cc1 1347680634 RNWVOTANVVCXSD-VIFPVBQESA-N 304.306 -0.222 30 20 DBED N#C[C@H]1CC[C@@H](NC(=O)C(=O)N2CC[C@H]3NC(=O)CC[C@@H]3C2)C1 1350875514 ZYNUEKXWFGHCSM-UMSGYPCISA-N 318.377 -0.078 30 20 DBED N#Cc1cn(CCC(=O)NC[C@H]2CC[C@H](O)C2)c(=O)nc1O 1362500356 YLXNPTANAMEKDP-ONGXEEELSA-N 306.322 -0.512 30 20 DBED CN(C)C(=O)N[C@H]1CCCN(c2[nH]c(=O)n(C)c(=O)c2C#N)C1 1363151129 BGHKWTFQLFNUAD-VIFPVBQESA-N 320.353 -0.815 30 20 DBED CN(C)CCn1nccc1NC(=O)NCCn1cnc(C#N)n1 1365912946 YCILWKOVSWNYDM-UHFFFAOYSA-N 317.357 -0.270 30 20 DBED C[C@@H](CNCc1nnn(C)n1)N(C)C(=O)c1cc(C#N)c[nH]1 1378751861 BDPMXTCHSOVHHA-VIFPVBQESA-N 302.342 -0.340 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)c2cc(C(N)=O)ccn2)CC1 1393726584 YBWVAVJOXKKRJC-VIFPVBQESA-N 315.333 -0.281 30 20 DBED CCCCS(=O)(=O)CC(=O)N[C@H](C)CNC(=O)[C@@H](C)C#N 1397588004 PVRRDDSEFCQSGO-WDEREUQCSA-N 317.411 -0.018 30 20 DBED CCN(CCNC(=O)[C@H](C)C#N)C(=O)c1cc(C(N)=O)c[nH]1 1398134648 KAGTUMXWMSMHEB-SECBINFHSA-N 305.338 -0.148 30 20 DBED COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1 1401530694 JEQBSMCGWBLGEZ-QWRGUYRKSA-N 320.353 -0.396 30 20 DBED COCCC(=O)N[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1O 1406234151 RQAJGCICJYXCKM-VXGBXAGGSA-N 306.322 -0.776 30 20 DBED CO[C@]1(C(=O)N2CC[C@](O)(CC#N)C2)CCS(=O)(=O)C1 1413184732 RMENGZJBYBKBLP-VXGBXAGGSA-N 302.352 -0.933 30 20 DBED CCc1n[nH]cc1C(=O)N(C)C[C@@H](O)CNC(=O)[C@@H](C)C#N 1413287958 FJUPGNAMVOIODO-UWVGGRQHSA-N 307.354 -0.319 30 20 DBED C[C@H](CNC(=O)[C@H](C)C#N)NC(=O)C1CCS(=O)(=O)CC1 1416864762 DTEADXDMTVSFFS-NXEZZACHSA-N 315.395 -0.408 30 20 DBED Cc1ncncc1C(=O)N(C)C[C@@H](O)CNC(=O)[C@@H](C)C#N 1425776505 TUNXUQNLASLYLM-ONGXEEELSA-N 305.338 -0.506 30 20 DBED CC(C)(CC#N)CS(=O)(=O)NCC(=O)N1CCOCC1 1434565383 JWJLWEYAKARQBL-UHFFFAOYSA-N 303.384 -0.296 30 20 DBED C[C@H](C#N)C(=O)N[C@H](C)C1CCN(C(=O)Cn2ncnn2)CC1 1488550039 SAXMCTUUPDHHRR-GHMZBOCLSA-N 319.369 -0.424 30 20 DBED CN(CCNC(=O)CNC(=O)C1CC1)C(=O)c1cc(C#N)c[nH]1 1495879725 UAANDEUIBKBEHM-UHFFFAOYSA-N 317.349 -0.399 30 20 DBED C=CCCC(=O)N1CC(N2CCN(C(=O)CNC(=O)O)CC2)C1 1573352483 DBGACBYNSLCAGY-UHFFFAOYSA-N 324.381 -0.425 30 20 DBED C=CCCC[C@H](NC(=O)Cn1cc(C(=O)OC)nn1)C(=O)O 1573357533 OHHJTOKHTOIXBP-VIFPVBQESA-N 310.310 -0.010 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@H](N=c2cc[nH]cc2-c2nn[nH]n2)C1 1573585939 JXEXOIVWXJHIKU-GUBZILKMSA-N 312.337 -0.098 30 20 DBED N#Cc1ccnc(N2CCN(C(=O)[C@H](O)CC(=O)O)CC2)c1 1574248045 AJLJSIXABVSUPC-LLVKDONJSA-N 304.306 -0.563 30 20 DBED C[C@H](NCCN(C)C(=O)[C@H](C)C#N)C(=O)NCc1cnn[nH]1 1575178586 PDZGSPWDCWQCPF-ZJUUUORDSA-N 307.358 -0.983 30 20 DBED C[C@@H](Nc1cnc(C#N)c(-c2nn[nH]n2)n1)[C@@H]1CN(C)CCO1 1575445350 QLQRPSGYPRYZFU-SCZZXKLOSA-N 315.341 -0.341 30 20 DBED COC(=O)C1(C#N)CCN(S(=O)(=O)C2CCNCC2)CC1 1578777892 PEZLKBWGLFKEFB-UHFFFAOYSA-N 315.395 -0.153 30 20 DBED C#CCSCCNS(=O)(=O)c1cncc(-c2nn[nH]n2)c1 1588364072 REBHKWWTIBKXKQ-UHFFFAOYSA-N 324.391 -0.094 30 20 DBED C=CCn1nnnc1N1CCC(N2C[C@H](C(=O)O)CC2=O)CC1 1588474216 FXURPAPTXKXBOE-SNVBAGLBSA-N 320.353 -0.239 30 20 DBED C=C(C)C[C@H](NC(=O)CN(C)[C@H]1CCS(=O)(=O)C1)C(=O)O 1588542308 FUJFUILRXSQRKJ-QWRGUYRKSA-N 318.395 -0.359 30 20 DBED C#CC[C@@H](NCc1nccn1S(=O)(=O)N(C)C)C(=O)O 1602693892 BWHORHRXUFCBMO-SECBINFHSA-N 300.340 -0.896 30 20 DBED C[C@H](C#N)C(=O)NCCCN=c1cc[nH]cc1-c1nn[nH]n1 1602984045 RGHJMULOIIHJTP-SECBINFHSA-N 300.326 -0.239 30 20 DBED N#Cc1c[nH]c(C(=O)NCC2CN(C(=O)[C@@H]3C[C@@H]3C(=O)O)C2)c1 1608195024 CCLTZPBUKNCWRU-MNOVXSKESA-N 316.317 -0.205 30 20 DBED O=C(O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC#CCO 1608916470 VISAXUTYFXYAFD-UHFFFAOYSA-N 314.275 -0.433 30 20 DBED CC(=NNC1CCS(=O)(=O)CC1)c1cn(CC(=O)O)nn1 1609553130 HVXMCHWLMGNZPS-UHFFFAOYSA-N 315.355 -0.747 30 20 DBED CCNS(=O)(=O)[C@@H]1CCN(C(=O)C2(C#N)CCOCC2)C1 1649739797 XYRKLUMTUZDROO-LLVKDONJSA-N 315.395 -0.153 30 20 DBED CS(=O)(=O)CCCC(=O)NCCN1CCN(CC#N)CC1 1752374717 OQWMZMMXZYMFDS-UHFFFAOYSA-N 316.427 -0.931 30 20 DBED COCC#CCN[C@H]1C[C@H](NC(=O)CN2CCCNC2=O)C1 1752640013 UJDGSBKFRTVIHU-JOCQHMNTSA-N 308.382 -0.712 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1C[C@@H](NC(=O)Cc2nonc2C)C1 1752771760 BHWZNYYVWPZHOG-UTUOFQBUSA-N 319.365 -0.705 30 20 DBED CC(C)n1ccc(CC(=O)NC[C@@H](C)NCC(=O)NCC#N)n1 1752889171 MBHUDZWMXOTRCW-GFCCVEGCSA-N 320.397 -0.259 30 20 DBED N#CCNCCNC(=O)[C@@H]1CCCN(C(=O)[C@H]2CCCO2)C1 1752923687 FYEJSTWEDUXDKH-CHWSQXEVSA-N 308.382 -0.367 30 20 DBED C#CCNC(=O)[C@H](C)N(CC)CCNC(=O)c1c(C)ncn1C 1753083433 FDOKZMHQNNLELO-ZDUSSCGKSA-N 319.409 -0.082 30 20 DBED N#CCNC(=O)CNC[C@H]1CCC[C@@H]1NC(=O)CC1(O)CCC1 1753884662 LFHBJUMSCLJGHM-OLZOCXBDSA-N 322.409 -0.194 30 20 DBED C#CCNC(=O)[C@@H](C)NCCN(CC)C(=O)c1cnn(C)c1C 1754033753 XKUMCNABRFAIRY-GFCCVEGCSA-N 319.409 -0.082 30 20 DBED C#CCCNC[C@]1(C)CCN(C(=O)CN2CCOCC2=O)C1 1754697877 UHBRRJZDVMIMAX-INIZCTEOSA-N 307.394 -0.303 30 20 DBED C=C[C@](C)(CC)C(=O)NC[C@@]1(O)CCN(Cc2nnnn2C)C1 1754757345 JACAGJUCOFELGC-CABCVRRESA-N 322.413 -0.135 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC[C@@](CO)(NCc2cnon2)C1 1755083119 KBIQKTLKOVBNIG-SWLSCSKDSA-N 322.365 -0.449 30 20 DBED CCO[C@@H](C)C(=O)N1CCN(C2CN(CC#CCOC)C2)CC1 1755144797 QNLOSXRBRCPIAM-HNNXBMFYSA-N 323.437 -0.110 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@H](C)CNC(=O)c1cccc(O)n1 1755297038 ICUIDDNBYGIKAS-VXGBXAGGSA-N 318.377 -0.025 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H](CO)CNC(=O)c1cccs1 1755621409 NOBKNBWWHSLHSV-QWRGUYRKSA-N 309.391 -0.434 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H](CO)CNC(=O)c1ccc(F)nc1 1755622885 OYWJIEBGFPWSPD-PWSUYJOCSA-N 322.340 -0.961 30 20 DBED C#CCOCCC(=O)N1C[C@H](NCC(=O)NC2CC2)C[C@H]1C 1755678782 OOUWUMAWVKRTCT-TZMCWYRMSA-N 307.394 -0.116 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC([C@@H](C)NC(=O)c2cnon2)C1 1756168023 PCBRAMHNAWIUDF-YMTOWFKASA-N 308.338 -0.027 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H](O)CN(C)C(=O)c1[nH]cnc1C 1756670356 XGQDAONQELRSLU-NEPJUHHUSA-N 322.365 -0.694 30 20 DBED O=C(C#CC1CC1)NCCC1(CNC(=O)[C@H]2CNC(=O)N2)CC1 1756899716 FRRMLUOOIBBUIX-GFCCVEGCSA-N 318.377 -0.516 30 20 DBED C=C(C)C(C)(C)C(=O)N[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1O 1757021674 CEPGOAAJKOZPEG-GHMZBOCLSA-N 321.381 -0.281 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@@H](NC(=O)CN(C)C(C)=O)[C@H](C)C1 1757054859 CSUWANYWVLMFMF-MBNYWOFBSA-N 323.393 -0.534 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 1757164163 AHLJWWQIYJUDDB-OLZOCXBDSA-N 318.333 -0.610 30 20 DBED C=C[C@](C)(O)CC(=O)N1C[C@H](O)[C@H](NC(=O)Cc2ccoc2)C1 1757168175 ISSLXBDNALLUJD-WWGRRREGSA-N 322.361 -0.163 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@H]1CCN(C(=O)CNC(N)=O)[C@@H]1C 1757508254 QARGYVNRDQKJMU-BFVZDQMLSA-N 312.370 -0.913 30 20 DBED COC(=O)CCN(C)S(=O)(=O)N[C@@H](CCC#N)C(=O)O 1777104640 IFHKTQLRZJWCPE-QMMMGPOBSA-N 307.328 -0.927 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)C(C)(C)C)CCO2 1783046709 TWQYAOSVKAQZNS-CJNGLKHVSA-N 308.378 -0.144 30 20 DBED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)N(C)CC)C[C@@H]21 1790794029 VVWVDGZNFPZISJ-AJNGGQMLSA-N 321.421 -0.061 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)=O)C2 1793356125 XXCLAAKJCFJSST-YIYPIFLZSA-N 324.377 -0.244 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cc(C)[nH]n1)C2 1800453904 VHQSQVZAPHBMQK-DRXBFXEBSA-N 316.361 -0.517 30 20 DBED CNC(=O)CC(=O)N1CCCC12CN(C(=O)C#CC1CC1)C2 1841560324 PUZVEZIRLLWSEG-UHFFFAOYSA-N 303.362 -0.261 30 20 DBED CC(C)COC[C@@H](O)CNc1c(C#N)c(=O)n(C)c(=O)n1C 42108894 VAFMGUHOYABNQK-JTQLQIEISA-N 310.354 -0.599 30 20 DBED Cn1c(NC[C@@H](O)c2ccncc2)c(C#N)c(=O)n(C)c1=O 128484094 YLZSQRRSNWQIGW-LLVKDONJSA-N 301.306 -0.504 30 20 DBED C[C@H]1CS(=O)(=O)CCN1CC(=O)N(CCC#N)CCC#N 172630212 PAIMCRPYTJLJIG-LBPRGKRZSA-N 312.395 -0.239 30 20 DBED N#Cc1ccc(S(=O)(=O)N2CCN3C(=O)NC[C@H]3C2)cn1 227121053 YRUMCZGWIBKAEL-JTQLQIEISA-N 307.335 -0.649 30 20 DBED C/N=C(/NCc1nnc2n1CCC2)N1CCO[C@H](COC)C1 261999386 TYFVQMPQLDGABI-NSHDSACASA-N 308.386 -0.353 30 20 DBED CN1CCN/C1=N\CCS(=O)(=O)NC[C@@H]1CCCCO1 262632072 FXOKBFMRNXNATL-NSHDSACASA-N 304.416 -0.634 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CNCC[C@@H]2C)C1=O 263023108 AXDMDFLHDIXZBI-VHSXEESVSA-N 308.338 -0.923 30 20 DBED CCN(CCC#N)C(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 269666864 WDLNRNMENPQWMT-WFFHOREQSA-N 305.334 -0.089 30 20 DBED C=CCNC(=O)CNC(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 271966488 MILDIYDUHYTVCZ-JTQLQIEISA-N 318.399 -0.988 30 20 DBED C=CC[C@@H](CC)NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 281494122 VNFSOMHWMXSYKH-SNVBAGLBSA-N 319.365 -0.095 30 20 DBED C[C@H](CN1CCN(C)CC1)N/C(O)=N/C[C@@H]1COCCO1 329139435 FGSODUXYZKLRAH-CHWSQXEVSA-N 300.403 -0.459 30 20 DBED CC(C)NS(=O)(=O)CC/N=C(/O)NC[C@@H]1COCCO1 330443439 SDRCKVONMSPFAY-SNVBAGLBSA-N 309.388 -0.767 30 20 DBED CC/N=C(/O)N1CC[C@H](NS(=O)(=O)C[C@@H](C)C(=O)OC)C1 330990355 RLECOQKWWYHYHL-ZJUUUORDSA-N 321.399 -0.277 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CCN(C[C@H](C)O)C[C@H]1C 337191079 SFKOWWJFRMUFFX-OLZOCXBDSA-N 318.443 -0.146 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N1CC[C@H](S(C)(=O)=O)C1 337763834 LNRISXZCJBPQQW-UWVGGRQHSA-N 309.413 -0.416 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCCN[C@@H]2C)CC1 342766466 VENFGHANVBNTNT-KGLIPLIRSA-N 308.426 -0.179 30 20 DBED CCCCC(=O)N1CSC[C@H]1C(=O)NCC(=O)NCC#N 344115598 MSBHPHCZTSHFEC-JTQLQIEISA-N 312.395 -0.166 30 20 DBED CN(C)CCN1C[C@@H](C(=O)NC2(C#N)CCOCC2)CC1=O 346881185 VAEPNLLKIYNSFM-LBPRGKRZSA-N 308.382 -0.415 30 20 DBED C=C[C@@H](CO)NC(=O)Nc1cnn(CC(=O)NCCOC)c1 350187775 XZCBQDUHAZVFOY-JTQLQIEISA-N 311.342 -0.686 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)[C@@H]2CC[C@@H](C(=O)OC)O2)C1=O 356341748 LMPKWZGUAGTDRL-SRVKXCTJSA-N 310.350 -0.048 30 20 DBED N#Cc1ccc(-n2ccc(NCC(=O)NC(N)=O)n2)c(F)c1 371629211 OQKFCFFPWDPSQT-UHFFFAOYSA-N 302.269 0.490 30 20 DBED N#Cc1ccc(OCCNC(=O)C(=O)NC[C@H]2CCCN2)cc1 419467556 SNCYUFXGTMVEOW-CYBMUJFWSA-N 316.361 -0.079 30 20 DBED CCCn1c(N)c(C(=O)CN2CCO[C@@H](C#N)C2)c(O)nc1=O 436124502 ITPVCZSEPGEJTQ-VIFPVBQESA-N 321.337 -0.652 30 20 DBED Cc1cc(NC(=O)C(=O)N2CC[C@@H](C)[C@@H]2CO)nn1CCC#N 443812857 GEJXSISGQMLMCC-PWSUYJOCSA-N 319.365 0.273 30 20 DBED C#CCN1CCC(C(=O)N2CC(OCC(=O)N(C)C)C2)CC1 490799507 HJTCOKYDESSHCW-UHFFFAOYSA-N 307.394 -0.353 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)C(C)(C)NC(=O)OC)CC1 491220779 QCZZZUGXHINJPO-UHFFFAOYSA-N 324.381 -0.985 30 20 DBED C[C@@H](C#N)CNS(=O)(=O)c1ccc(S(C)(=O)=O)nc1 530482900 AROJNICYZAQVRW-QMMMGPOBSA-N 303.365 -0.077 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)NCCOC[C@H]2CCCO2)CCO1 554533817 UARCOVCDHKSVPE-VXGBXAGGSA-N 319.383 -0.759 30 20 DBED CN(C)C(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1cccc(C#N)n1 570279051 XWRZCNXZUOFDBT-NSHDSACASA-N 315.333 -0.029 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cccnc2O)C1=O 586757405 NNEGKCMSCHXVDI-UHFFFAOYSA-N 304.262 -0.298 30 20 DBED C=C[C@H](O)C(=O)N(C)CC(=O)N1CCC[C@H](C(=O)OCC)C1 590433234 RURKXIZDBOFMCY-RYUDHWBXSA-N 312.366 -0.207 30 20 DBED C=CCn1cc(CNC(=O)N2C[C@@H](O)C[C@@H](C(=O)OC)C2)nn1 592030825 KGLYXHQVCUZWIJ-PWSUYJOCSA-N 323.353 -0.471 30 20 DBED Cc1cccc(NC(=O)C(=O)NCCN2CC[C@H](O)C2)c1C#N 600100570 ZQNIVCYHAAXMGZ-LBPRGKRZSA-N 316.361 -0.012 30 20 DBED CC[C@@H]1CN(C(=O)C(=O)N2CCN(CCC#N)CC2)CC[C@H]1N 601582755 NCAMLBIBTIKPDB-ZIAGYGMSSA-N 321.425 -0.370 30 20 DBED C#CCCS(=O)(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 710845985 VFKYESGODCHCSY-NSHDSACASA-N 308.425 -0.399 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N1CCC[C@H](OCCO)C1 780600188 UMNAPZTUZISFTJ-LBPRGKRZSA-N 320.411 -0.230 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N[C@@H](C)[C@H]1CN(C)CCO1 783010525 FXFXGYAEGGXNDL-NWDGAFQWSA-N 319.427 -0.395 30 20 DBED COCCCNC(=O)[C@H](C#N)C(=O)COCc1ccnn1C 793123103 MGULAFVRNFQQCX-GFCCVEGCSA-N 308.338 -0.202 30 20 DBED CC[C@@H]1CCC1=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 807979191 NWLHZUHZJFKZAW-MRVPVSSYSA-N 314.367 -0.462 30 20 DBED C#C[C@H](NC(=O)C(=O)NCC(C)(C)C(=O)NC)[C@@H]1CCCO1 809308288 HATKHFSNSNTSAM-QWRGUYRKSA-N 309.366 -0.828 30 20 DBED COCCN1[C@H]2CC[C@H]1CC(=NNC(=S)NCC(N)=O)C2 814845194 UNFDUYZLHAVUCU-QWRGUYRKSA-N 313.427 -0.435 30 20 DBED O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)N[C@H]1CCCN(O)C1=O 820476298 KAMMDXRHAUSPTI-AXFHLTTASA-N 323.349 -0.342 30 20 DBED O=C(N[C@@H]1CCCN(O)C1=O)c1ccc(-n2cncn2)nc1 820482743 QSYKIJLEMCKRRR-SNVBAGLBSA-N 302.294 -0.228 30 20 DBED N#CC1CN(C(=O)COc2nsnc2N2CCOCC2)C1 823149297 FSPINFIMGVWPFN-UHFFFAOYSA-N 309.351 -0.265 30 20 DBED N#C[C@@H]1CN(C(=O)CNc2ccc(-c3nn[nH]n3)cn2)CCO1 826380692 JRJLCCFDODWNFC-SNVBAGLBSA-N 314.309 -0.575 30 20 DBED C#CCN1CCC[C@@H](NC(=O)C[C@@]2(C)CCS(=O)(=O)N2)C1 829582436 MHZRIVHSANVGDM-TZMCWYRMSA-N 313.423 -0.328 30 20 DBED COC(=O)c1cc(S(=O)(=O)N(CC#N)CC(=O)O)cn1C 831337838 MEHGPOWKQUWMMW-UHFFFAOYSA-N 315.307 -0.589 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)OCC(=O)N1CCCC[C@@H]1C(N)=O 838002747 FQVWNQNRFBXWCE-UTUOFQBUSA-N 310.350 -0.013 30 20 DBED C#CCOCCN1CCN([C@@H](C)C(=O)NCCCOC)CC1 851750813 FWLCXAWGBMALQV-HNNXBMFYSA-N 311.426 -0.205 30 20 DBED C#CCOCCC(=O)N1CCCN(C(=O)CNC(C)=O)CC1 862961253 QCIBHCRRIVTNLB-UHFFFAOYSA-N 309.366 -0.777 30 20 DBED Cc1c(C#N)c(=O)n(CCN2CCOC2=O)c(=O)n1C1CC1 865374391 DALCIOXWTRRPCP-UHFFFAOYSA-N 304.306 -0.023 30 20 DBED COC(=O)c1ccn(CC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)n1 878821902 YWQBSLFTBQFOHC-LBPRGKRZSA-N 317.349 -0.132 30 20 DBED C=CCn1cc(C(=O)NCCS(=O)(=O)N2CCCC2)nn1 888860779 ZKQXAFJTYAHVBG-UHFFFAOYSA-N 313.383 -0.381 30 20 DBED C#CC1(O)CN(C(=O)[C@@H]2CCCCN2S(=O)(=O)CCC)C1 890520572 JWRLFFLAORYVTM-LBPRGKRZSA-N 314.407 -0.213 30 20 DBED C#CC1(O)CN(C(=O)c2nc(S(C)(=O)=O)n3ccccc23)C1 890521359 BKDLZLOEJVFERC-UHFFFAOYSA-N 319.342 -0.442 30 20 DBED C#CC1(O)CN(S(=O)(=O)c2cnn(-c3ccccn3)c2C)C1 908231070 FMZGADYJVYKIKY-UHFFFAOYSA-N 318.358 -0.056 30 20 DBED CN(C(=O)c1ncn(C)n1)[C@@H]1CCN(C(=O)C#CC2CC2)C1 937347489 NDUMNWKGAJTGRS-GFCCVEGCSA-N 301.350 -0.099 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H]2CCN(C(=O)[C@H]3COC(=O)N3)C2)c1 937796152 RCTHLPFJBXZPPB-GXSJLCMTSA-N 317.305 -0.675 30 20 DBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](NC(=O)C(N)=O)[C@H](C)C1 939686238 RFMVLPHQCKYSKS-XQHKEYJVSA-N 323.393 -0.194 30 20 DBED C[C@H](C#N)C(=O)N1CCCN(C(=O)c2nnc(O)nc2O)CC1 941729425 FUJYZZDIZPRMEZ-MRVPVSSYSA-N 320.309 -0.883 30 20 DBED N#Cc1cc(C(=O)N2CCCC[C@H](NC(=O)C(N)=O)C2)c[nH]1 943499705 XRDQNAFYPFERGC-JTQLQIEISA-N 303.322 -0.517 30 20 DBED C[C@H]1CN(CC#N)CC[C@H]1NC(=O)c1cc(=O)n2[nH]cnc2n1 944135638 OWCCLAJDWDEBCE-VHSXEESVSA-N 315.337 -0.619 30 20 DBED CC(=O)N1CC(C(=O)NC[C@H]2CCCN2C(=O)[C@@H](C)C#N)C1 944250174 WXNUFZVAKONMLM-GXFFZTMASA-N 306.366 -0.268 30 20 DBED Cn1cnc(C(=O)NC[C@@H]2CCN2C(=O)c2cc(C#N)c[nH]2)n1 949743130 HWBSULDFVCODMY-JTQLQIEISA-N 313.321 -0.341 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2CCCN(C(=O)CC(N)=O)C2)nc1 950262637 OEQDBWFKLPEYEI-LBPRGKRZSA-N 314.345 -0.341 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(CC)C1CN(CC(=O)NC)C1 950534463 VYHNVYQMWDVNCG-AWEZNQCLSA-N 306.410 -0.637 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1cnnn1 952491995 NTQFUXKISMQRHC-TUAOUCFPSA-N 317.353 -0.575 30 20 DBED C=CCCn1cc(C(=O)N[C@@]2(C)CCN(C(=O)C(N)=O)C2)nn1 957001431 FNIVPSYFBBTXSS-AWEZNQCLSA-N 320.353 -0.940 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@@](C)(NC(=O)[C@@H]2CNC(=O)N2)C1 957454820 HSMFURGOVYZEES-ZUZCIYMTSA-N 308.382 -0.013 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2nc(OC)cc(OC)n2)C1 958182505 BMLNDOQZBWHWIB-WDEREUQCSA-N 320.349 -0.851 30 20 DBED C=C(C)CN1C[C@@H](O)[C@@H](CNC(=O)c2cc(=O)c(OC)c[nH]2)C1 958261769 AOZVSYJHIIXKTH-SMDDNHRTSA-N 321.377 -0.018 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2ccc(C(N)=O)s2)C1 958476234 HJDCXVYLAKXVAC-ZJUUUORDSA-N 307.375 -0.497 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2CN(CCCO)C[C@@H]2O)cn1 958603631 ZWCOBDOLTFXVPQ-HIFRSBDPSA-N 303.362 -0.532 30 20 DBED O=C(c1cnon1)N1C[C@H]2[C@@H](C1)OCCN2C(=O)C#CC1CC1 960365273 KKKNAUGUNQQMAX-QWHCGFSZSA-N 316.317 -0.465 30 20 DBED C#CCCN1C[C@H]2C(NC(=O)[C@@H]3CCc4nnc(O)n4C3)[C@@H]2C1 960655683 NZCWCOBDBMKTEH-IJLUTSLNSA-N 315.377 -0.384 30 20 DBED C=C(Cl)CN1C[C@H]2C(NC(=O)c3cnc(O)n(C)c3=O)[C@@H]2C1 961465328 GAKOARMREKIEBB-NXEZZACHSA-N 324.768 -0.102 30 20 DBED C[C@H](C#N)C(=O)N1CC2(C[C@H](NC(=O)c3n[nH]cc3F)CO2)C1 965801250 MRMUFDDGRQWLTN-BDAKNGLRSA-N 321.312 -0.192 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1NC(=O)c1cnn(C)n1 966403055 VJSDWGLEIJZJOI-MFKMUULPSA-N 301.350 -0.195 30 20 DBED CN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CCCN(C(=O)C(N)=O)CC1 967532832 HUJMTJNSQWEVDW-LLVKDONJSA-N 317.349 -0.175 30 20 DBED Cn1cc(C(=O)N2C[C@H]3CCN(C(=O)C#CC4CC4)C[C@H]32)nn1 972022114 AQOKTGPAIIVVFL-TZMCWYRMSA-N 313.361 -0.099 30 20 DBED C=C(C)CN1C[C@H]2CC[C@H]1CN2C(=O)CN1C(=O)CNC1=O 972087579 CNQGVYHLYCCNLK-NWDGAFQWSA-N 306.366 -0.211 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2[C@@H]3CN(C(=O)c4nc[nH]n4)C[C@@H]32)nc1 976915949 LJMQMPFHRYHAGX-PJXYFTJBSA-N 322.328 -0.319 30 20 DBED C#Cc1ccc(C(=O)NCC2[C@@H]3CN([C@H]4CCNC4=O)C[C@@H]23)cn1 979020276 QKRBRVHYTOMPMW-JYJNAYRXSA-N 324.384 -0.141 30 20 DBED C#CCN1CCC(C(=O)N2CC[C@@H](NC(C)=O)[C@@H](O)C2)CC1 991143102 ARUPPGXBLYWCPB-CABCVRRESA-N 307.394 -0.571 30 20 DBED C=C(C)C(C)(C)C(=O)N1CC(NC(=O)C[C@H]2CC(=O)NC2=O)C1 995295656 SYOKXCYGDLGPPC-JTQLQIEISA-N 321.377 -0.032 30 20 DBED C=C1CCC(C(=O)N2CC(NC(=O)[C@H]3CNC(=O)N3)C2)CC1 998669797 JKOHWTBNGYEBDB-GFCCVEGCSA-N 306.366 -0.259 30 20 DBED C#CCN[C@H]1CCCN(C(=O)c2ccc(-n3cnnn3)cn2)C1 999799136 QPIFFNMXHANYIC-LBPRGKRZSA-N 311.349 -0.115 30 20 DBED COc1cc(C(=O)NCC2CN(C(=O)[C@H](C)C#N)C2)ncn1 1002079776 IGXZPEBUIGVRKA-SECBINFHSA-N 303.322 -0.167 30 20 DBED N#Cc1cccc(CN2CC[C@@H](NC(=O)Cn3cnnn3)C2)c1 1010091314 BLSPIQYMSWKPBU-CQSZACIVSA-N 311.349 -0.065 30 20 DBED CC[C@@]1(C(=O)N2CCN(C(=O)[C@H](C)C#N)CC2)CCNC1=O 1011317551 CMJMLUYTSQGDMN-IAQYHMDHSA-N 306.366 -0.267 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@H](N[C@@H]3CCCNC3=O)C2)c1 1018682628 OLZSXGURGQUIJG-NWDGAFQWSA-N 301.350 -0.031 30 20 DBED C=CCN1CC[C@H](N[C@H]2CCN(C(=O)Cn3nccn3)C2)C1=O 1018914266 BOYHXHCOLKXTOF-STQMWFEESA-N 318.381 -0.745 30 20 DBED C=C(C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2cncn2)C1 1025728448 ZZAGUSWZJCCQGC-VXGBXAGGSA-N 321.381 -0.432 30 20 DBED N#CCN[C@@H]1CC[C@H]2CN(C(=O)CN3CCCNC3=O)C[C@H]21 1026303038 RHDYHTMNYQPVSU-YNEHKIRRSA-N 305.382 -0.248 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@H](CNCc3nc(O)n[nH]3)C2)c1 1026760422 YHYLVVXWCBQJTQ-SECBINFHSA-N 315.337 -0.038 30 20 DBED CC#CCN1CC[C@H](CNC(=O)[C@@H]2CC(=O)N(CCOC)C2)C1 1028576534 BXSMNRGJOULZAP-HUUCEWRRSA-N 321.421 -0.057 30 20 DBED C=CCn1cc(C(=O)N(C)[C@@H]2CCN([C@H](C)C(=O)NC)C2)nn1 1033483245 GLIUOLLRTVWLOC-VXGBXAGGSA-N 320.397 -0.255 30 20 DBED C#CCCN1CC[C@H](N(C)C(=O)c2nccnc2C(N)=O)C1 1033649072 WSOLMEQKPAIZOD-NSHDSACASA-N 301.350 -0.255 30 20 DBED N#CCN1CCO[C@H](CNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1035454978 QUZINZCKAJXVJJ-RFQIPJPRSA-N 309.366 -0.622 30 20 DBED CC#CCN1CC[C@H]1CNC(=O)[C@H]1CCc2nnc(O)n2C1 1038422043 MWGUGSRUWVTZES-RYUDHWBXSA-N 303.366 -0.240 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@]1(O)CCN(C(=O)c2ccon2)C1 1039722492 WUBOIBIWKYUKJA-NHYWBVRUSA-N 321.333 -0.594 30 20 DBED N#Cc1nccc(N2C[C@@H](O)[C@H](NC(=O)c3cnco3)C2)n1 1041267384 MVPKUCKSQVPQIY-RKDXNWHRSA-N 300.278 -0.684 30 20 DBED N#CCN1CC[C@]2(CCN(C(=O)[C@@H]3CCCN3C(N)=O)C2)C1 1041856297 CXELLURIMVABOO-WFASDCNBSA-N 305.382 -0.023 30 20 DBED C#CCCCCC(=O)NCC1(O)CN(C(=O)CCCC(N)=O)C1 1042663752 DJZFKHJIBAVZBB-UHFFFAOYSA-N 323.393 -0.475 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1042806327 DYPJYZHZJRDKQK-HNNXBMFYSA-N 306.362 -0.584 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(O)CN(C(=O)[C@H]2CC23CC3)C1 1042812490 PDSJLXRNBOWPJB-RISCZKNCSA-N 308.378 -0.197 30 20 DBED O=C(C#CC1CC1)NCC1(O)CN(C(=O)CC[C@H]2CCOC2)C1 1042959062 VAFIDLAMKCPOMI-AWEZNQCLSA-N 320.389 -0.094 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)c3cnns3)C2)nn1 1043862778 HBINNNUDRITTRJ-BDAKNGLRSA-N 317.334 -0.821 30 20 DBED CN1CCC[C@H]1C(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@@H]1O 1043875747 PZMBWSXCZGWYLK-SNPRPXQTSA-N 315.377 -0.287 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)c2[nH]nnc2C)C1 1044367298 ZWFFLRFBADXZOT-UHFFFAOYSA-N 305.338 -0.780 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)CCc2cncs2)C1 1046695033 AYNUZJTZECTKLE-SNVBAGLBSA-N 322.390 -0.075 30 20 DBED CC(C)C#CC(=O)N(C)[C@H]1CN(C(=O)CC(=O)N(C)C)C[C@@H]1O 1048814040 SEBHIADFSJZZBP-STQMWFEESA-N 323.393 -0.846 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H]2CN(Cc3nc(=O)n(C)[nH]3)C[C@H]21 1049999624 LDPVULPYYVBNME-GRYCIOLGSA-N 318.381 -0.309 30 20 DBED C=CCOCC(=O)N[C@H](C)[C@H]1CCN(C(=O)c2ncn(C)n2)C1 1050619463 NYUYJIMDORQFAO-NEPJUHHUSA-N 321.381 -0.016 30 20 DBED N#CCN1CCOC[C@H]1CNC(=O)[C@H]1CCc2nncn2CC1 1051034286 OJOMGHDHOJPLEY-QWHCGFSZSA-N 318.381 -0.429 30 20 DBED N#CCN1CCN([C@H]2CCN(C(=O)c3nccnc3N)C2)CC1 1052000721 PFECXRBVOSHEJR-LBPRGKRZSA-N 315.381 -0.586 30 20 DBED CC#CCN1CCN([C@H]2CCN(C(=O)[C@@H]3CCNC3=O)C2)CC1 1052059156 CSGMZDNLHVZZOH-LSDHHAIUSA-N 318.421 -0.636 30 20 DBED N#CCN1CCN([C@H]2CCN(C(=O)C[C@H]3CCC(=O)N3)C2)CC1 1052097002 RYPOAXVRXZMUDM-KGLIPLIRSA-N 319.409 -0.603 30 20 DBED C=CCOCC(=O)N1C[C@@H](C)[C@H](CNC(=O)CNC(N)=O)C1 1052212970 AMOWKTQZDYHJRA-GHMZBOCLSA-N 312.370 -0.932 30 20 DBED C#CCOCCC(=O)N1C[C@H]2CN(C(=O)[C@H](C)OC)C[C@H]2C1 1055205443 SRGYJTCDLHBKNS-MELADBBJSA-N 308.378 -0.022 30 20 DBED CNC(=O)CC(=O)N[C@@]1(CO)CCCN(C(=O)C#CC(C)C)C1 1055903274 VTWIPRDSMNYERL-INIZCTEOSA-N 323.393 -0.748 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H]2[C@@H]1CCCN2C(=O)COC 1056180268 WPJQCVUTIGMDCU-STQMWFEESA-N 321.377 -0.636 30 20 DBED Cc1cnc(C(=O)N(CCO)CCNC(=O)C#CC2CC2)cn1 1056848659 CMCFDVITPZNBMY-UHFFFAOYSA-N 316.361 -0.251 30 20 DBED CN(c1ccc(C#N)nn1)[C@H]1CCN(C(=O)c2nnn(C)n2)C1 1057002964 WMGHMDCVSMRKAW-JTQLQIEISA-N 313.325 -0.777 30 20 DBED C=C(C)CCC(=O)NCCN(CCO)C(=O)c1cn(C)nn1 1057494018 KKZUBXKGOBURKT-UHFFFAOYSA-N 309.370 -0.278 30 20 DBED C#CCN1CCC(C(=O)N(CCO)CCNC(=O)C2CC2)CC1 1057860928 ANWYKQRHLVBMIV-UHFFFAOYSA-N 321.421 -0.321 30 20 DBED Cc1cc(OCC(=O)N(CCO)CCNC(=O)[C@@H](C)C#N)no1 1057877714 FXWHHYJJSXCWNP-JTQLQIEISA-N 324.337 -0.541 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)C1(N(C)C)CCC1 1058657415 YTZOKCKCEPQGPT-LBPRGKRZSA-N 310.398 -0.433 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)[C@H](C)c1ccnn1C 1058660941 LMTXLYHMYXAWCH-NWDGAFQWSA-N 321.381 -0.380 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)c1cn(C)c(O)n1 1058716222 SDRCTWCYLNMLTC-UHFFFAOYSA-N 310.354 -0.357 30 20 DBED C=CCCOCC(=O)NCC[C@H]1CCN(C(=O)CC(N)=O)C1 1059383313 QQBLVTJSMYJXHU-LBPRGKRZSA-N 311.382 -0.191 30 20 DBED N#Cc1cncc(N[C@H]2C[C@@H](NC(=O)Cn3cnnc3O)C2)n1 1059595244 WTSLOIGXPGUVQY-DTORHVGOSA-N 314.309 -0.595 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](CCNC(=O)Cn2ncnn2)C1 1060285728 CWGXBVCPMAHWIL-MNOVXSKESA-N 305.342 -0.812 30 20 DBED C#CCCCC(=O)N1CCOC[C@H]1CNC(=O)[C@@H](C)NC(C)=O 1061253698 WQMVKTVBFBPKNJ-TZMCWYRMSA-N 323.393 -0.342 30 20 DBED C=CCOCC(=O)NC[C@@H]1COCCN1C(=O)CSC 1061421523 QSKZNCYKDKBJOS-LLVKDONJSA-N 302.396 -0.104 30 20 DBED N#Cc1ccc(N2CCC[C@H]2CNC(=O)[C@H]2C[C@H]2C(N)=O)nn1 1061445569 USKLYPQBYWGZHG-TUAOUCFPSA-N 314.349 -0.445 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1COCCN1C(=O)Cn1cccn1 1061569278 BUVNTJUSWXJSHZ-CQSZACIVSA-N 316.361 -0.360 30 20 DBED N#Cc1nccnc1N1CC[C@@H](CNC(=O)[C@H]2COC(=O)N2)C1 1061592605 QGPWGYSFWNSHBY-GXSJLCMTSA-N 316.321 -0.601 30 20 DBED C#CCNC(=O)CC(=O)N1CCOC[C@H]1CNC(=O)[C@H]1C[C@@H]1C 1061768587 JPYKRUSLDPTMNF-XQQFMLRXSA-N 321.377 -0.875 30 20 DBED C=CCCCC(=O)NC[C@@H]1COCCN1C(=O)[C@H]1C[C@H]1C(N)=O 1061831233 RDSUOLOSIVMFCZ-UPJWGTAASA-N 323.393 -0.192 30 20 DBED C[C@H](N=c1cc[nH]cc1C#N)C1CCN(C(=O)C(N)=O)CC1 1061874656 HJHVWLRIFVOUQI-JTQLQIEISA-N 301.350 -0.101 30 20 DBED Cc1c(C(=O)N2C[C@@H]3C[C@H]2CN3c2cncc(C#N)n2)nnn1C 1062461367 OEEZVWKUXLSYSF-RYUDHWBXSA-N 324.348 -0.112 30 20 DBED CN(C(=O)c1cn(C)nn1)[C@H]1CCN(c2ccnc(C#N)n2)C1 1062925020 OKWYTFMETRPMGJ-JTQLQIEISA-N 312.337 -0.172 30 20 DBED O=C(C#CC1CC1)NCC1(NC(=O)[C@@H]2COCCO2)CCC1 1062982741 WBHYLPQSHXHQSE-ZDUSSCGKSA-N 306.362 -0.030 30 20 DBED N#Cc1ccc(N2CC[C@@H]3CN(C(=O)CC(N)=O)CC[C@@H]32)nn1 1064000179 RVRRFDXLPQTVSQ-PWSUYJOCSA-N 314.349 -0.349 30 20 DBED CC[C@@H]1CN(C(=O)C(N)=O)CC[C@@H]1N=c1cc[nH]c(C#N)n1 1064413484 WDYGOSPSKAIYFJ-ZJUUUORDSA-N 302.338 -0.706 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(C(=O)c2cnns2)CCO1 1064907526 LTKJCIXPWMKBFY-NSHDSACASA-N 320.374 -0.091 30 20 DBED CC(C)C#CC(=O)N1CCO[C@H](CNC(=O)C2=COCCO2)C1 1065124520 OIDHAXRBRDJGDL-CYBMUJFWSA-N 322.361 -0.122 30 20 DBED CC(C)C#CC(=O)N1CCO[C@@H](CNC(=O)[C@@H]2CCN(C)C2)C1 1065132360 DANYCCSEBCICRV-CABCVRRESA-N 321.421 -0.059 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@H](CNC(=O)CC2(O)CCC2)C1 1065557688 UJKYLSGGGYPWQO-NWDGAFQWSA-N 309.366 -0.205 30 20 DBED C=CCOCC(=O)N(C)CCCN(C)C(=O)[C@@H]1CNC(=O)N1 1067000940 GQDMJVNYWCQULO-NSHDSACASA-N 312.370 -0.823 30 20 DBED C[C@H](C#N)C(=O)N(C)CCCN(C)C(=O)[C@@H]1CCC(=O)NC1 1067748874 GTNPTGGUJHPPIZ-VXGBXAGGSA-N 308.382 -0.021 30 20 DBED Cn1ncc(C(=O)NC2CC(CN=c3cc[nH]c(C#N)n3)C2)n1 1067856361 AZNUGCVTOCWWCB-UHFFFAOYSA-N 312.337 -0.481 30 20 DBED C=CC(C)(C)C(=O)NC[C@H]1CCC2(CN(C(=O)CC(N)=O)C2)O1 1068598413 OWMMXLZWGSJXGR-LLVKDONJSA-N 323.393 -0.050 30 20 DBED CC(=O)NCC(=O)N1CC2(C[C@@H](NC(=O)C#CC3CC3)CO2)C1 1068859849 WYCUTQWDDSVQHL-CYBMUJFWSA-N 319.361 -0.978 30 20 DBED C=CCCC(=O)NC1(CNC(=O)[C@@H]2CCNC2=O)CCOCC1 1070033522 VQNHNNHQSFRBGH-GFCCVEGCSA-N 323.393 -0.130 30 20 DBED C=CCOCC(=O)N1CCC[C@@H](NC(=O)CCNC(N)=O)C1 1070552580 YKSQKDOQWKSZLQ-LLVKDONJSA-N 312.370 -0.645 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CCCN(C(=O)c2cnn(C)c2N)C1 1070644899 PKAYKQWVVCNDCP-NXEZZACHSA-N 304.354 -0.117 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)CCc2ccon2)CC1 1070979866 BYAWLXDXIPXDNA-UHFFFAOYSA-N 318.377 -0.109 30 20 DBED N#CCSCC(=O)N[C@@H]1CCCN(C(=O)[C@H]2CCNC2=O)C1 1071068003 QIECBSVIYNTMQH-MNOVXSKESA-N 324.406 -0.514 30 20 DBED Cn1nnc(C(=O)N2CCC([C@@H]3OCC[C@H]3NCC#N)CC2)n1 1071079039 KKAOSDXMVCTKCK-NEPJUHHUSA-N 319.369 -0.667 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)C(C)(F)F)C1 1071921942 MVRGQTWYWAJNHR-ZJUUUORDSA-N 315.320 -0.256 30 20 DBED C#CCOCCC(=O)N1C[C@@H](NC(=O)c2nc[nH]n2)[C@H](C)C1 1072101607 PUXWVLHVFOONPR-GHMZBOCLSA-N 305.338 -0.579 30 20 DBED C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)CC[C@H]1NC(=O)CC(N)=O 1073838585 DBROEFRSUDKXIN-MWLCHTKSSA-N 317.349 -0.271 30 20 DBED C#CCCN1C[C@@H]2CCN(C(=O)CN3CCN(C)C(=O)C3)[C@@H]2C1 1075965917 IXJRWAJGPQGMDJ-LSDHHAIUSA-N 318.421 -0.684 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)c2nnn(CC)c2CC)C1 1077664715 OGSMLFQKMCPPBT-DGCLKSJQSA-N 305.382 -0.341 30 20 DBED C#CCCCC(=O)N[C@@H](C)CCNC(=O)Cn1c(O)nnc1O 1077680172 VEEWIBLJVJQBAX-JTQLQIEISA-N 323.353 -0.496 30 20 DBED C#CCOCCC(=O)N(CC)C1CN(C(=O)[C@H]2CCC(=O)N2)C1 1079771953 AJCWCNBIYQNBHK-CYBMUJFWSA-N 321.377 -0.636 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)c2cn(CC)nn2)C[C@@H]1O 1081335770 PFSGSCWSPPHGLE-YPMHNXCESA-N 321.381 -0.187 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)CN(C)C(C)=O)C[C@H]1O 1081441173 FIQBJHHPMYXUNF-ZIAGYGMSSA-N 323.393 -0.796 30 20 DBED C#CCOCCC(=O)NC[C@H]1CN(C(=O)CC2CC2)C[C@@H]1O 1081485040 FBSVMRSQNZJDIA-KBPBESRZSA-N 308.378 -0.238 30 20 DBED CN(C)CCC(=O)NC[C@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1O 1081732114 CTEHPNDSNGOOPC-UONOGXRCSA-N 323.437 -0.077 30 20 DBED C=CCN1C[C@@H](NC(=O)[C@H]2CCCCS2(=O)=O)[C@H](OC)C1 1081792701 AAMKZZUPMPCBQQ-JHJVBQTASA-N 316.423 -0.045 30 20 DBED C=CCN1C[C@@H](NC(=O)[C@H]2CN(C(C)=O)CCO2)[C@H](OC)C1 1082351451 UVTUDTNOLVIJNB-MGPQQGTHSA-N 311.382 -0.765 30 20 DBED C=C(C)CCN1C[C@@H](NC(=O)CN2C(=O)CCC2=O)[C@H](OC)C1 1082362445 GTICTZPYZATQOQ-CHWSQXEVSA-N 323.393 -0.083 30 20 DBED CN1CC[C@@H](N2C[C@H]3[C@@H](C2)OCCN3C(=O)C#CC2CC2)C1=O 1083077433 HMIJJBBWHDSDBI-QLFBSQMISA-N 317.389 -0.458 30 20 DBED C=C(C)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)Cn1ncn(C)c1=O 1083125760 FJXSBMSNUUXCLY-QWHCGFSZSA-N 321.381 -0.931 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cnc2nccn2c1 1083143007 LGAMUDNXXFMCEG-UONOGXRCSA-N 311.345 -0.112 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CCc1cncn1C 1083262489 XRMWCDVRVYQQGY-LSDHHAIUSA-N 302.378 -0.103 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)[C@H]2CCN(C)C(=O)C2)C1 1083577671 DBGPMXPDFNCZAF-TUAOUCFPSA-N 315.801 -0.231 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)Cc2cn(CC)nn2)C1 1083661009 DLMVGIVYXLTAQL-NEPJUHHUSA-N 313.789 -0.246 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2cnc3onc(C)c3c2)C1 1083687426 SNXNRWAANNSFBI-OLZOCXBDSA-N 300.318 -0.061 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NCC(N)=O 1085229899 PLESTUKTOAUGTD-MCIONIFRSA-N 306.410 -0.414 30 20 DBED CC#CCN1CC[C@H]1CN(C)C(=O)[C@@H]1Cc2cncn2C(=O)N1 1085737315 KDBFVKBSJOHCQD-JSGCOSHPSA-N 315.377 -0.079 30 20 DBED C=C(Cl)CN1CC[C@H]1CN(C)C(=O)[C@H]1CCS(=O)(=O)N1 1085976901 IQXLZYGPKONOOG-WDEREUQCSA-N 321.830 -0.037 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2cn3c(n2)CCCC3)[C@H](O)C1 1090308842 YJXGDSLENHZVLX-DGCLKSJQSA-N 303.366 -0.092 30 20 DBED N#CCN1CC[C@@H](NC(=O)Cc2cn3ccccc3n2)[C@H](O)C1 1090359667 DBCAPNWLXKUMRK-ZIAGYGMSSA-N 313.361 -0.048 30 20 DBED C=C(C)CCN1CC[C@@H](NC(=O)Cn2ncn(C)c2=O)[C@@H](O)C1 1090373133 FNLVPYFXFWXASI-OLZOCXBDSA-N 323.397 -0.901 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCN(CCCF)C[C@@H]2O)nn1 1090635986 AUCHTBXBVKMJEA-YPMHNXCESA-N 311.361 -0.011 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2ccc3oc(O)nc3n2)[C@@H](O)C1 1090721938 JBLGSRTZBJHDEQ-KOLCDFICSA-N 316.317 -0.273 30 20 DBED CC(=O)N1CCC(C(=O)N[C@H]2CCN(CC#N)C[C@H]2O)CC1 1090796912 RWLCNAFEUVREAF-UONOGXRCSA-N 308.382 -0.680 30 20 DBED C=CCN1CC[C@@H](NC(=O)c2cccc(C(N)=O)n2)[C@H](O)C1 1090839884 SMWWCNREXVLTTA-ZWNOBZJWSA-N 304.350 -0.469 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2ccc(C(N)=O)nc2)[C@@H](O)C1 1090852201 ODCYTUHWLYLNGS-OCCSQVGLSA-N 316.361 -0.631 30 20 DBED Cc1cc(N2C[C@H](O)[C@H](NC(=O)CCN(C)C)C2)c(C#N)cn1 1091177996 LBKNIMJFUVYIKE-HIFRSBDPSA-N 317.393 -0.121 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)c3cnnc(O)c3)c3nccn32)C1 1092375419 LNQRUZFYSFTRLA-GFCCVEGCSA-N 324.344 -0.102 30 20 DBED CN(C)C(=O)CC(=O)NC1[C@@H]2CN(c3ccc(C#N)cn3)C[C@@H]12 1093358044 NIDWWSNXIGIAOW-VXGBXAGGSA-N 313.361 -0.018 30 20 DBED C[C@H](C#N)C(=O)N1CCC(OC2CN([C@@H]3CCNC3=O)C2)CC1 1093517663 VZTFXSCHODCNBZ-BXUZGUMPSA-N 320.393 -0.274 30 20 DBED CN1C[C@@H](C(=O)N2CCC(OC3CN(CC#N)C3)CC2)CC1=O 1093540289 HQWYXVPUFGMAOT-LBPRGKRZSA-N 320.393 -0.320 30 20 DBED C#CCNC(=O)CC(=O)NCCNc1ncnc(CC)c1F 1093558471 WXFZDRYUQBGOHB-UHFFFAOYSA-N 307.329 -0.154 30 20 DBED C[C@@]1(CCC(=O)NCCN=c2cc[nH]c(C#N)n2)CCC(=O)N1 1093720137 COHSGYRWQRHFDQ-OAHLLOKOSA-N 316.365 -0.253 30 20 DBED N#Cc1ccc(NCCNC(=O)C2CC(=O)NC(=O)C2)nc1 1093741496 CIFKDDYDBFPJDM-UHFFFAOYSA-N 301.306 -0.466 30 20 DBED N#Cc1cncc(NCCNC(=O)CC(=O)NCC2CC2)n1 1093846124 RTQXRWIGHRFNOW-UHFFFAOYSA-N 302.338 -0.207 30 20 DBED CO[C@@H](C(=O)NCCN=c1cc[nH]c(C#N)n1)[C@H]1CCOC1 1094011156 ATUUZIRDCTUSFP-GXFFZTMASA-N 305.338 -0.650 30 20 DBED CO[C@H](C(=O)NCCNc1ccc(C#N)nn1)[C@@H]1CCOC1 1094011170 BAXXSGICUYKAJH-MFKMUULPSA-N 305.338 -0.072 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)C[C@H]3CCOC3)CC2=O)C1 1094715789 QUOSUYMAKRPYRJ-CHWSQXEVSA-N 305.378 -0.553 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)c3cncn3C)CC2=O)C1 1094753483 LUIUPXMLUXYWQX-LLVKDONJSA-N 303.366 -0.379 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)c3csc(O)n3)CC2=O)C1 1094775040 RGBWWRDDLOTDMN-SECBINFHSA-N 320.374 -0.503 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)C[C@H]3CCN(C)C3)CC2=O)C1 1094809736 OZKILQZHZUFMCQ-KGLIPLIRSA-N 318.421 -0.637 30 20 DBED COCCOCC(=O)N1CCC[C@H](N=c2cc[nH]c(C#N)n2)C1 1095288904 OPNSFSXXDOSMAT-LBPRGKRZSA-N 319.365 -0.164 30 20 DBED N#Cc1nccnc1N1CCC(NC(=O)CCNC(N)=O)CC1 1095414809 WNUBYEREHRTPOD-UHFFFAOYSA-N 317.353 -0.508 30 20 DBED C[C@@H](CC(N)=O)C(=O)N[C@H]1CCCN(c2cnc(C#N)cn2)C1 1096218631 KIXRKGFMDQLCOM-QWRGUYRKSA-N 316.365 -0.055 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CN(C)CCO1)Nc1ccc(C#N)nn1 1097768681 QCOFIJWGIUOWES-JQWIXIFHSA-N 304.354 -0.405 30 20 DBED C[C@@H](CNC(=O)Cn1ncn(C)c1=O)Nc1ncccc1C#N 1098124450 WJXLWKKUXQYHTG-JTQLQIEISA-N 315.337 -0.535 30 20 DBED C#CCNCc1cn([C@@H]2CCN(C(=O)CNC(=O)CC)C2)nn1 1098644492 BGSMTNVHVZCWAI-CYBMUJFWSA-N 318.381 -0.700 30 20 DBED C=CCNCc1cn([C@H]2CCN(C(=O)Cn3ncnn3)C2)nn1 1098675820 GNKOSHVAFDUQKH-LBPRGKRZSA-N 317.357 -0.986 30 20 DBED C#CCNCc1cn([C@@H]2CCN(C(=O)C3(C(N)=O)CC3)C2)nn1 1098706326 YIFFMXYFBOXNIR-GFCCVEGCSA-N 316.365 -0.960 30 20 DBED C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCS(=O)(=O)N2)C1 1099167691 QHCJVTKQKVKKST-SCRDCRAPSA-N 313.423 -0.165 30 20 DBED N#CCN[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)C[C@H]1C(F)(F)F 1099299873 KBWDOGMLMKFKHG-GJMOJQLCSA-N 305.260 -0.830 30 20 DBED C#CCNC(=O)CN1C[C@@H]2[C@@H]3CC[C@@H](CN3C(=O)COC)[C@H]2C1 1099373230 UKTGJMSLTNMUFD-XGUBFFRZSA-N 319.405 -0.449 30 20 DBED N#CCNC(=O)CN1CC[C@H](NC(=O)c2cccs2)[C@@H](O)C1 1099630959 SMYCTZDPMKJTMJ-QWRGUYRKSA-N 322.390 -0.447 30 20 DBED Cc1nc(CN2CC[C@@H](NC(=O)C#CC(C)C)[C@@H](O)C2)n[nH]1 1099823253 AQNXAWJCZYWXAS-OLZOCXBDSA-N 305.382 -0.176 30 20 DBED COCCOCC(=O)NCCN(C)c1nc(C)cc(C#N)n1 1100005066 PHMWKSMAJBILES-UHFFFAOYSA-N 307.354 -0.128 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CCc2ncccn2)[C@@H](O)C1 1100043243 DOWGLGSHLACENO-KGLIPLIRSA-N 302.378 -0.016 30 20 DBED CN(CCNC(=O)[C@H]1CCCC(=O)N1)c1ccnc(C#N)n1 1100190671 CGVUCOHTHAIUCL-SNVBAGLBSA-N 302.338 -0.431 30 20 DBED CN(CCNC(=O)[C@H]1CCS(=O)(=O)C1)c1cnc(C#N)cn1 1100227353 RBSUELYRHDHYFB-JTQLQIEISA-N 323.378 -0.665 30 20 DBED Cc1nc(N(C)CCNC(=O)[C@H]2CCNC2=O)ccc1C#N 1100270213 KMJRSPLKVRZLPO-LBPRGKRZSA-N 301.350 -0.050 30 20 DBED CN1CC[C@H](C(=O)NCCN(C)c2cnc(C#N)cn2)C1=O 1100273373 QKNVNEISHBIYRI-LLVKDONJSA-N 302.338 -0.621 30 20 DBED CCc1nocc1C(=O)NCC1CC(NCC(=O)NCC#N)C1 1100650550 KCLIJSOHXAGWFT-UHFFFAOYSA-N 319.365 -0.025 30 20 DBED CCC(=O)NCC(=O)NC[C@H]1CCCN1c1cnc(C#N)cn1 1100810299 RVRVVZSXEVGVAA-GFCCVEGCSA-N 316.365 -0.041 30 20 DBED C=CCCNC1CC(CNC(=O)[C@@H]2CCS(=O)(=O)N2)C1 1100991059 NXVZZMJSMWKOPU-MCIGGMRASA-N 301.412 -0.261 30 20 DBED C#CCNC(=O)[C@H](C)NC1CC(CNC(=O)CCCC(N)=O)C1 1101072248 BELCADHJZQZHPX-HIFPTAJRSA-N 322.409 -0.736 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@H]2CN(CC(=O)NC)C[C@@]2(C)C1 1101230935 PGHLZKDAXNSDMN-ZENOOKHLSA-N 307.394 -0.449 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)[C@@]1(C)CCNC(=O)C1 1102034606 MDGBNOFVHRUQDQ-HNNXBMFYSA-N 316.365 -0.443 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1CNC(=O)CCc1nnc(O)nc1O 1102119393 JZVNVAVDRDMIPF-NXEZZACHSA-N 320.353 -0.577 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)C1CS(=O)(=O)C1 1104696836 BMLLHFVLBBZUMU-VIFPVBQESA-N 323.378 -0.926 30 20 DBED CC(C)[C@@H](CNC(=O)CCNC(N)=O)Nc1cnc(C#N)cn1 1105182592 NJYWEQJPBYVVNU-LLVKDONJSA-N 319.369 -0.041 30 20 DBED C=CCOCC(=O)N1CC(n2cc(CNCCOCC)nn2)C1 1105192488 RHJGHWWUWZDPEE-UHFFFAOYSA-N 323.397 -0.010 30 20 DBED CN(CCN(C)c1nccnc1C#N)C(=O)c1nccnc1N 1105351365 PIRZATDVSUHIFY-UHFFFAOYSA-N 312.337 -0.071 30 20 DBED C[C@@H](OCC1CC1)C(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1 1105732403 PCTWNZHQGOPDEM-PWSUYJOCSA-N 319.365 -0.526 30 20 DBED N#Cc1cncc(NC[C@@H](O)CNC(=O)CCn2cccn2)n1 1105756530 VWNOWSUJXMPVOE-GFCCVEGCSA-N 315.337 -0.476 30 20 DBED N#Cc1nc(=NC[C@H](O)CNC(=O)Cc2ccc[nH]2)cc[nH]1 1105863462 KWHHPYPDIHVZNF-NSHDSACASA-N 300.322 -0.770 30 20 DBED Cc1n[nH]cc1C(=O)NC[C@@H](O)CNc1ccc(C#N)nn1 1106062450 ISHZNASMRHJXMB-JTQLQIEISA-N 301.310 -0.417 30 20 DBED C[C@]1(C(=O)NC[C@H](O)CNc2ncccc2C#N)CCNC1=O 1106104090 HLOZIUUJQCQRTN-ABAIWWIYSA-N 317.349 -0.632 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)CCc2cn[nH]c2)nn1 1106131747 JENFPZKJHBUIIC-GFCCVEGCSA-N 315.337 -0.407 30 20 DBED COCCN1C[C@@H](C(=O)N2C[C@@H](C)[C@H](CNCC#N)C2)CC1=O 1106198930 SWTAEXWDCXAVJN-HZSPNIEDSA-N 322.409 -0.311 30 20 DBED C=CCN1CC(n2cc(CNC(=O)Cc3ccn(C)n3)nn2)C1 1107168639 XYYJFNGKDQFEKP-UHFFFAOYSA-N 315.381 -0.087 30 20 DBED CC(C)C#CC(=O)NCc1cn(C2CN(C[C@H](C)O)C2)nn1 1107169282 ALGAKLVILGOWMI-LBPRGKRZSA-N 305.382 -0.209 30 20 DBED C[C@H](C#N)C(=O)NC[C@@]1(C)CN(CC(=O)N(C)C2CC2)CCO1 1107818530 BJZOVXPABPKGLG-WBMJQRKESA-N 322.409 -0.026 30 20 DBED Cc1ccc(C#N)c(NC[C@H](C)NC(=O)Cn2ncnn2)n1 1108540112 IVYVBVMMSAENMS-JTQLQIEISA-N 300.326 -0.135 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)[C@@H](C3CC3)N(C)C)CC2=O)C1 1108551770 FQXWBKJQIIHZSE-XJKSGUPXSA-N 320.437 -0.086 30 20 DBED CCN1CCOC[C@H]1C(=O)N[C@@H](C)CNc1ccc(C#N)nn1 1108598307 NBRFXEVQQCRJDQ-AAEUAGOBSA-N 318.381 -0.014 30 20 DBED C#CCCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H](C)NC(=O)COC 1110584998 UBQODPYJBGQAGH-SYQHCUMBSA-N 307.394 -0.118 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1nc(C)c[nH]1 1111121196 RSMFGAXZJCFHEG-UPJWGTAASA-N 315.377 -0.197 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cc1nc[nH]n1 1111260210 KMRFHJYYIQXYRC-UPJWGTAASA-N 303.366 -0.282 30 20 DBED C[C@@]1(C(=O)N2CCN(CC(=O)NCC#N)CC2)C[C@H]2CC[C@H]1O2 1112857168 ZFWQOPVMBTVJDC-XJKCOSOUSA-N 320.393 -0.272 30 20 DBED CO[C@@H](C(=O)N1CCN(CC(=O)NCC#N)CC1)C1CCC1 1113164178 GIMBIWUUZVAPFM-CQSZACIVSA-N 308.382 -0.415 30 20 DBED CNC(=O)NCC(=O)N[C@@H](C)[C@@H](C)N=c1cc(C)[nH]cc1C#N 1113349602 GSWLAXLOMSUFQA-MNOVXSKESA-N 318.381 -0.082 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN([C@@H](C)C(=O)NC)CC1 1113410222 SFQLSDZTYRMIMD-GXTWGEPZSA-N 324.425 -0.264 30 20 DBED Cc1cc(C#N)nc(N(C)[C@H](C)CNC(=O)Cc2nc[nH]n2)n1 1113713919 BPCZUPLFIJDJCS-SNVBAGLBSA-N 314.353 -0.042 30 20 DBED C[C@H](CNC(=O)[C@H]1CCN(C)C1=O)N(C)c1cncc(C#N)n1 1113820603 QUSWBQIMZGXWEZ-ZYHUDNBSSA-N 316.365 -0.233 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)Cc3ccc(C)o3)[C@@H]2C1 1114146908 LNQBQNLQLVBCHQ-ZIAGYGMSSA-N 315.373 -0.074 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1[C@@H]2CN(Cc3nnc(C)o3)C[C@@H]21 1114157968 NVLUUMUCENXGIA-HBYGRHMLSA-N 317.349 -0.936 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)CN(C)C(=O)C3CC3)[C@H]2C1 1114363653 HUYMPXKVPVNORS-FOLVSLTJSA-N 319.405 -0.449 30 20 DBED CCN1CCOC[C@@H]1C(=O)N[C@H]1[C@@H]2CN(CC#CCOC)C[C@@H]21 1114495845 AHDHRYUCYGOJES-QXSJWSMHSA-N 321.421 -0.597 30 20 DBED CNC(=O)CC(=O)NCC1[C@@H]2CN(c3ccc(C#N)nc3)C[C@@H]12 1114530398 KDFKQEYSMGFLCW-KBPBESRZSA-N 313.361 -0.112 30 20 DBED C=CCCCN1C[C@@H]2C(NC(=O)CN3CCC(=O)NC3=O)[C@H]2C1 1115083002 CFRPKOUQJGXJJC-RYUDHWBXSA-N 320.393 -0.059 30 20 DBED N#CCN1C[C@H]2[C@H](NC(=O)CNC(=O)c3cscn3)[C@H]2C1 1115083444 KKJCFEXWBJITNR-GDGBQDQQSA-N 305.363 -0.557 30 20 DBED C=C(C)CN1C[C@H]2[C@H](NC(=O)CNC(=O)Cn3cncn3)[C@H]2C1 1115288359 QJHUYPKPGVGDHP-JYAVWHMHSA-N 318.381 -0.983 30 20 DBED CO[C@@H]1CCN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)[C@@H](C)C1 1118250677 VYANBJCCOBZLIW-YWPYICTPSA-N 309.366 -0.111 30 20 DBED CCn1cc(C(=O)NC[C@@H](CO)Nc2cncc(C#N)n2)cn1 1121228117 CJXNNJHBBKRBFX-LBPRGKRZSA-N 315.337 -0.233 30 20 DBED Cc1nonc1C(=O)NC[C@H](CO)Nc1ccc(C#N)cn1 1121734494 NXQMOBQYRGOUHE-SNVBAGLBSA-N 302.294 -0.153 30 20 DBED Cc1cnoc1C(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1 1122004740 ZAWLQUWOFOVXDE-VIFPVBQESA-N 302.294 -0.731 30 20 DBED Cc1nocc1C(=O)NC[C@@H](CO)Nc1cnc(C#N)cn1 1122437544 KLRYBAJBUUIYLM-JTQLQIEISA-N 302.294 -0.153 30 20 DBED Cc1ccn(CC(=O)NC[C@H](CO)N=c2cc[nH]cc2C#N)n1 1122593443 NSRPYPPLAMJUPI-CYBMUJFWSA-N 314.349 -0.531 30 20 DBED CCc1oncc1C(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1 1122630057 RYQIHIKBWRIXFN-SECBINFHSA-N 316.321 -0.477 30 20 DBED COC[C@@H](C)C(=O)N(C)C[C@@H](O)CN(C)c1ccnc(C#N)n1 1124989644 YVGNJIOBAXTMNP-NEPJUHHUSA-N 321.381 -0.114 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)[C@H]1COCCN1C 1125944382 AXQQQGFEMFRYMF-CQSZACIVSA-N 324.425 -0.777 30 20 DBED N#Cc1ccc(N2CC=C(CNC(=O)Cn3nccn3)CC2)nn1 1127700352 VQLQERWZPAJFLE-UHFFFAOYSA-N 324.348 -0.107 30 20 DBED C#CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)CSCC#N)C1 1128724112 QBMQBXTZVYELLG-OLZOCXBDSA-N 318.406 -0.100 30 20 DBED C=CCCC(=O)N1C[C@H](n2ccnn2)[C@H](N[C@@H](C)C(N)=O)C1 1129666621 DADAMUHEKHJASE-TUAOUCFPSA-N 306.370 -0.540 30 20 DBED C=CCCN[C@@H]1CN(C(=O)CCCC(N)=O)C[C@@H]1n1ccnn1 1130153319 JPKMIBLQQRXNOK-OLZOCXBDSA-N 320.397 -0.149 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H]2C[C@@H]3CN(C(=O)CC)C[C@@]3(C1)O2 1131170419 ABMNIEGTFCWROG-VMUDFCTBSA-N 319.405 -0.164 30 20 DBED C#CCN1CC[C@]2(C1)CN(C(=O)CNC(=O)CC)C[C@@H](C)O2 1131645892 MTNILJNMKTXNJY-CJNGLKHVSA-N 307.394 -0.162 30 20 DBED C[C@H]1CN(C(=O)CCCC(N)=O)C[C@]2(CCN(CC#N)C2)O1 1131703466 BZGJKAZLJGWLTM-SWLSCSKDSA-N 308.382 -0.143 30 20 DBED CC#CCN1C[C@@H](NC(=O)CNC(=O)CNC(C)=O)CC[C@@H]1C 1132131628 GZGXAXAKOKJPNI-JSGCOSHPSA-N 322.409 -0.769 30 20 DBED C#Cc1ccc(C(=O)NCCN[C@H](C)C(=O)NC(N)=O)cc1 1132226595 GUORMTJJZQYONL-SNVBAGLBSA-N 302.334 -0.429 30 20 DBED C#CCCCCCC(=O)NCCNCC(=O)N1CCNC(=O)C1 1132398826 QETFCQCVXQHUHP-UHFFFAOYSA-N 322.409 -0.766 30 20 DBED C=CCNC[C@@H]1CN(C(=O)CS(=O)(=O)NC)CC[C@@H]1C 1133333447 HPMRYFHDJKJRKW-NWDGAFQWSA-N 303.428 -0.204 30 20 DBED C[C@H](C[C@@H](C)NC(=O)c1cnccn1)NCC(=O)NCC#N 1133600179 RLROKUGHPFXGJH-GHMZBOCLSA-N 304.354 -0.397 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)CNC(=O)C1CC1 1133772815 CJXDQYDEQUQVOO-VXGBXAGGSA-N 322.409 -0.865 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1 1134129613 MLLAGAKOMJNJEF-FPMFFAJLSA-N 319.409 -0.080 30 20 DBED C#CCCN[C@@H](C)C[C@@H](C)NC(=O)Cn1ccc(=O)n(C)c1=O 1134541755 WNEXOBWTYSAGIW-QWHCGFSZSA-N 320.393 -0.557 30 20 DBED C[C@@H](C[C@H](C)NC(=O)[C@@H]1[C@H]2COC[C@H]21)NCC(=O)NCC#N 1135231327 ZFYHVJCNCJTOKK-ZXPJVPCYSA-N 308.382 -0.609 30 20 DBED CC#CCN[C@H](C)C[C@@H](C)NC(=O)Cn1nc(C)n(C)c1=O 1136054206 ICAMXMVQPPNYLL-VXGBXAGGSA-N 307.398 -0.214 30 20 DBED COC[C@@H](O)CN1CCC2(C1)CN(C(=O)CSCC#N)C2 1147031360 PFGRXVYOJOHDLH-LBPRGKRZSA-N 313.423 -0.215 30 20 DBED CCc1noc(COCC(=O)NCCNCC#CCOC)n1 1147257489 IHIZMZCMKPRYMQ-UHFFFAOYSA-N 310.354 -0.496 30 20 DBED COCC#CCN1CCC2(C1)CN(C(=O)[C@H](C)NC(N)=O)C2 1147422624 UELXGCXXMSMATB-LBPRGKRZSA-N 308.382 -0.773 30 20 DBED C#CCNC(=O)CN1CCCO[C@@H](CNC(=O)C2CC(C)C2)C1 1149496712 KIUXEXWXRHPQCR-NRXISQOPSA-N 321.421 -0.011 30 20 DBED COC[C@H](O)CN1CCCO[C@@H](CNC(=O)C#CC(C)C)C1 1149672831 GPTLYCDISFISHV-CABCVRRESA-N 312.410 -0.140 30 20 DBED C=CCN1CCCO[C@H](CNC(=O)CCn2ncn(C)c2=O)C1 1150021177 GIYKGXFMBXFKOT-CYBMUJFWSA-N 323.397 -0.635 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)Cc1c(C)n[nH]c1C 1150823306 UDQRHQGKMFDFJM-GFCCVEGCSA-N 307.398 -0.034 30 20 DBED COCC#CCNCCNC(=O)CNC(=O)NCc1ccco1 1152260837 PWPXBTIMFDXPSC-UHFFFAOYSA-N 322.365 -0.566 30 20 DBED C=CCNC(=O)CN(CC)[C@H](C)CNC(=O)[C@@H](COC)OC 1155105923 ZXSPEZNIBFBDHK-CHWSQXEVSA-N 315.414 -0.223 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)c1c[nH]c(C#N)c1 1156852671 JWZAIHMYXBPSBI-NSHDSACASA-N 301.350 -0.266 30 20 DBED C#CCNC(=O)CC(=O)NCCCNCc1cncc(F)c1 1156857300 LWSAJADUFAZTRC-UHFFFAOYSA-N 306.341 -0.044 30 20 DBED C=CCNC(=O)CNCCCNC(=O)c1cnc(C)nc1OC 1159460574 HJDRXRVFPKARJA-UHFFFAOYSA-N 321.381 -0.195 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)C[C@H]1CCN(C)C1=O 1160592084 NRARCWPCZCVECX-CHWSQXEVSA-N 324.425 -0.359 30 20 DBED C=CCNC(=O)CNCCCNC(=O)c1cn2cccnc2n1 1161781708 VHAWGNAAWIFFRA-UHFFFAOYSA-N 316.365 -0.259 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)CC(=O)N(C)C)C1=O 1167788709 LPXDLRKFUXNREQ-GFCCVEGCSA-N 310.398 -0.653 30 20 DBED C#CCNC(=O)CNCCCNC(=O)COc1cccnc1 1168442780 ZFFRIVNSACLSLE-UHFFFAOYSA-N 304.350 -0.694 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@H](NC(C)=O)C(C)C 1171633077 DHUOQZMYNCAYMH-CQSZACIVSA-N 312.414 -0.455 30 20 DBED C=CCN1CCO[C@H]2CCN(C(=O)CCNC(=O)NC)C[C@H]21 1176999098 DQGXSGIHBWGCDI-OLZOCXBDSA-N 310.398 -0.207 30 20 DBED C#CCNC(=O)CNCCCNC(=O)CN(C)c1ccccc1 1177336573 MPSXTRRWLWYFED-UHFFFAOYSA-N 316.405 -0.032 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)Cn2nccn2)[C@H]1C 1178791436 BGOOQXUFBVGKEE-RYUDHWBXSA-N 306.370 -0.841 30 20 DBED COCC#CCNC[C@]1(C)CN(C(=O)[C@H](C)NC(N)=O)C[C@H]1C 1181220271 NDWJGHDUHLPMRL-DVOMOZLQSA-N 324.425 -0.233 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2cncc(C)c2)C1 1181811423 CJDIGFGUEXDRQU-CQSZACIVSA-N 300.362 -0.056 30 20 DBED C[C@H]1CN(C(=O)CC(C)(C)O)CC[C@@H]1CNCC(=O)NCC#N 1184273523 KVDCGEWTBCWEHY-QWHCGFSZSA-N 324.425 -0.139 30 20 DBED C=CCn1cc(C(=O)N2CC[C@@H](NCC(=O)NCCC)C2)nn1 1186178255 ZQQRFLCACHJNIV-GFCCVEGCSA-N 320.397 -0.206 30 20 DBED CNC(=O)NC(=O)CN1C[C@@H]2CCN(C(=O)[C@H](C)C#N)[C@@H]2C1 1187311615 JFODEYMPFTZQRI-OUAUKWLOSA-N 307.354 -0.866 30 20 DBED COCC#CCN1C[C@@H]2CCN(C(=O)[C@@H]3CCNC3=O)[C@@H]2C1 1188759616 FJGQGLUTNUFRDP-BFHYXJOUSA-N 305.378 -0.695 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)CCC(F)(F)F)C1 1192028634 KKQXQGPUCJRNQW-NXEZZACHSA-N 321.299 -0.760 30 20 DBED C=CCOCCCC(=O)N[C@@H]1CN([C@@H](C)C(=O)NC)C[C@H]1O 1192054022 HFVWDVXSFVCBMF-YNEHKIRRSA-N 313.398 -0.735 30 20 DBED CN(C)CCCCC(=O)N1CC[C@H](N(C)CC(=O)NCC#N)C1 1193571644 UHZXYMPQPLOUQF-AWEZNQCLSA-N 323.441 -0.109 30 20 DBED COCCOC[C@H](O)CN1CCCN(C(=O)[C@H](C)C#N)CC1 1195314820 UJYMKSHJTXLJFF-ZIAGYGMSSA-N 313.398 -0.296 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2csc(C)n2)C1 1195572702 FCZSRGQMBCKPJI-ZYHUDNBSSA-N 324.406 -0.471 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCCN(Cc2cn(C)nn2)CC1 1195792130 OYQJWSCUQIRRMN-ZDUSSCGKSA-N 305.382 -0.112 30 20 DBED C=CCCC1(C(=O)N[C@@H]2CN(Cc3nc(O)n[nH]3)C[C@H]2O)CC1 1195906052 MHUKSHZTWZUOGO-GHMZBOCLSA-N 321.381 -0.082 30 20 DBED N#CCNC(=O)CN1CCCN(C(=O)c2ccncn2)CC1 1197500276 JFFKLZBWNQONPL-UHFFFAOYSA-N 302.338 -0.736 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(CCCOC)C[C@H]2O)nc1 1197919483 FPXZLGBWPFASJZ-HUUCEWRRSA-N 303.362 -0.126 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)[C@H]2CCCN2C)CC1 1199827552 ZEFMWEFSCYHPAC-CQSZACIVSA-N 308.426 -0.037 30 20 DBED C#CCOCCC(=O)N1CCC(N[C@H](C)c2nnnn2C)CC1 1200523383 PJOYAAQTSMFBAN-GFCCVEGCSA-N 320.397 -0.108 30 20 DBED C#CCCNC[C@H]1CN(C(=O)c2nnc(O)nc2O)CCCO1 1200894319 KJHBTLQEIQGJRW-JTQLQIEISA-N 321.337 -0.873 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CCN(C(=O)c2[nH]nnc2C)CC1 1201931870 VVTOAQRGMVQWQD-LLVKDONJSA-N 318.381 -0.555 30 20 DBED C#CCNC[C@@H]1CN(C(=O)C(C)(C)NC(=O)NC)CCCO1 1202142515 XIMHORXNGWPTNX-GFCCVEGCSA-N 310.398 -0.466 30 20 DBED COCC#CCN[C@@H]1C[C@@H](NC(=O)Cn2cncn2)C12CCC2 1203695327 RAIUJNPYIKWOAG-ZIAGYGMSSA-N 317.393 -0.055 30 20 DBED C=CCNCC1CCN(C(=O)CN2CCN(C)C(=O)C2)CC1 1205560966 CGZHFYKCTSVITM-UHFFFAOYSA-N 308.426 -0.225 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(CCn2cncn2)C[C@H]1C 1206958005 VTHJNOXNVNSUFR-ZIAGYGMSSA-N 305.382 -0.246 30 20 DBED Cc1cc(C(=O)N2CCC[C@@H](NCC(=O)NCC#N)C2)no1 1207175795 BVOJSCTXTSNGQS-LLVKDONJSA-N 305.338 -0.183 30 20 DBED C=CCOCC(=O)N1CCC[C@@H](NCCS(C)(=O)=O)C1 1207683450 BIEUEVTYQNBNCK-GFCCVEGCSA-N 304.412 -0.186 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 1207685146 XLXIMNOIASFTMZ-KGLIPLIRSA-N 306.410 -0.589 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCCN(C(=O)Cc2cc[nH]n2)C1 1207731449 KRFDESDQIQTRTA-GXTWGEPZSA-N 317.393 -0.329 30 20 DBED CO[C@@H](C(=O)N1CCC[C@@H](NCC(=O)NCC#N)C1)C1CC1 1207934845 JAIXOJNPQDNXFA-TZMCWYRMSA-N 308.382 -0.368 30 20 DBED CC#CCN[C@@H]1CCCN(C(=O)[C@H](C)NS(=O)(=O)CC)C1 1208109459 HWWSTUPCCLSRBH-QWHCGFSZSA-N 315.439 -0.082 30 20 DBED COCC#CCN1C[C@@H](NC(=O)c2cnc(O)n2C)[C@H](C)C1 1208294818 RPMFUTSGMIRGCZ-VXGBXAGGSA-N 306.366 -0.174 30 20 DBED C#CCN[C@H]1CCCN(C(=O)CNS(=O)(=O)CCCC)C1 1210857189 FJOIHPKNWQEMAK-ZDUSSCGKSA-N 315.439 -0.080 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(CCCOC)C[C@H]1OC 1212419954 MROITKHGNWQCCW-OWCLPIDISA-N 323.437 -0.064 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2cocc2C)[C@H](OC)C1 1213273607 WXDXMKXVQGLLQQ-ZIAGYGMSSA-N 319.361 -0.234 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)C(=O)NCC(F)(F)F 1218872168 ICEBVLBEPSEJFI-VHSXEESVSA-N 319.283 -0.790 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)COC[C@@H](C)N2CCCC2)C1 1220387104 BVGOZDZRGHWJOJ-OAGGEKHMSA-N 323.437 -0.328 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2nc(C)no2)C[C@@H]1O 1221141139 KKDBZOGVIIWMLC-WCQGTBRESA-N 310.354 -0.370 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2ncccn2)C[C@@H]1O 1221143870 UUIFMURESJKLDL-XQQFMLRXSA-N 306.366 -0.271 30 20 DBED C[C@@H]1OCC[C@H]1C(=O)NCC1CCN(CC(=O)NCC#N)CC1 1224946165 CGXQSTSBXZOCPZ-GXTWGEPZSA-N 322.409 -0.121 30 20 DBED CC(C)(C)C(=O)C(=O)NC1CCN(CC(=O)NCC#N)CC1 1226633939 ZLVVGCJIVVVCPI-UHFFFAOYSA-N 308.382 -0.178 30 20 DBED N#CCN1CCS(=O)(=O)[C@H](CCNC(=O)c2ccccn2)C1 1230411031 WQONFYNVUZHUOA-GFCCVEGCSA-N 322.390 -0.176 30 20 DBED CNC(=O)c1ccc(CN(C)C(=O)NCC(=O)NCC#N)cc1 1261100251 MBJUCJDDWOTXDH-UHFFFAOYSA-N 317.349 -0.173 30 20 DBED C=CCOC[C@@H](NC(=O)[C@@H](C)CN1CCOCC1)C(=O)O 1262177081 KAHKAGJUEDLAOM-NWDGAFQWSA-N 300.355 -0.273 30 20 DBED C=C(C)COCCNC(=O)C(=O)N[C@@H](C)CS(C)(=O)=O 1323035640 SHVSYVBNLXHILJ-JTQLQIEISA-N 306.384 -0.755 30 20 DBED C#C[C@H](NC(=O)C(=O)NC[C@H]1COC(C)(C)O1)[C@@H]1CCCO1 1323553985 BJFAFCHFBXBUID-SRVKXCTJSA-N 310.350 -0.449 30 20 DBED C#CCOCCNC(=O)C(=O)NCc1nc(C(F)(F)F)n[nH]1 1323698784 MPUGIRYBGLDBJO-UHFFFAOYSA-N 319.243 -0.794 30 20 DBED C[C@@H]1CN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)CCO1 1329345272 MQAQUWDEJHVKQE-DGCLKSJQSA-N 306.366 -0.568 30 20 DBED CN1CCC[C@H](NC(=O)C(=O)N2CCC[C@@H](CC#N)C2)C1=O 1331046914 FTFZUJCONMKMDC-RYUDHWBXSA-N 306.366 -0.124 30 20 DBED C#CCOCCn1nnnc1N1CC[C@H](C)S(=O)(=O)CC1 1336019371 VPBNMNIAUBDSEQ-NSHDSACASA-N 313.383 -0.664 30 20 DBED CCOC(=O)[C@H]1CCN(C(=O)C(=O)N2CC[C@](F)(C#N)C2)C1 1338064592 JKUXAXLEERAJJL-HZMBPMFUSA-N 311.313 -0.138 30 20 DBED O=C1NC(=O)N2CCN(C(=O)c3cccc(C#CCO)c3)C[C@H]12 1339085530 GAEDLVRJSAVUSL-CYBMUJFWSA-N 313.313 -0.593 30 20 DBED C=C[C@@H](C(=O)OC)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 1339933292 PFTBBUPURAEMFZ-RYUDHWBXSA-N 302.396 -0.481 30 20 DBED C#CCN(C)c1nnc(CCN(C)S(N)(=O)=O)n1CC=C 1340491926 NNVCZYOQZXFNDL-UHFFFAOYSA-N 312.399 -0.789 30 20 DBED C#CCSCCNC(=O)C(=O)NCCN1CCOC[C@@H]1C 1342541477 SHGYXVMNCKTFKI-LBPRGKRZSA-N 313.423 -0.694 30 20 DBED N#CCNC(=O)CNC(=O)N1CCC(Cn2cncn2)CC1 1346657384 ICNLDQNSQYFYJX-UHFFFAOYSA-N 305.342 -0.661 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC(C(=O)O)([S@@](C)=O)CC1 1354051115 LRZABSGJZZNWLR-WVDJIFEKSA-N 301.364 -0.151 30 20 DBED Cc1noc(C)c1CC(=O)NCCn1cc(C#N)c(O)nc1=O 1363286768 KKKCVCHPWFFWAK-UHFFFAOYSA-N 317.305 -0.216 30 20 DBED COC(=O)CCN(C)S(=O)(=O)NCC1(C#N)CCOCC1 1364061693 MFZACIFOBJPNGP-UHFFFAOYSA-N 319.383 -0.364 30 20 DBED Cc1nn[nH]c1C(=O)NC[C@H](O)CNCc1ccc(C#N)cc1 1379221437 OCHJIROSXFDFNP-CYBMUJFWSA-N 314.349 -0.135 30 20 DBED C[C@H](C#N)C(=O)NCCN(C(=O)[C@@H]1CN(C)CCO1)C1CC1 1388677602 BBWZXIBCGYMKAN-YPMHNXCESA-N 308.382 -0.416 30 20 DBED COCCn1cc(C(=O)NC[C@@H](C)NC(=O)[C@@H](C)C#N)cn1 1410279765 QRSWBOGXPTZPLI-WDEREUQCSA-N 307.354 -0.076 30 20 DBED C[C@@H](C#N)C(=O)N1CC([C@H](C)NC(=O)CCn2ccnn2)C1 1411941411 GZYZUMUWXJAPSZ-QWRGUYRKSA-N 304.354 -0.209 30 20 DBED C[C@@H](CNC(=O)c1ccc(C#N)[nH]1)NC(=O)[C@H]1CCCC(=O)N1 1415143191 LBLFAPDWNUHGJO-GXSJLCMTSA-N 317.349 -0.210 30 20 DBED N#Cc1cn(CCC(=O)NCCc2ncc[nH]2)c(=O)nc1O 1417644877 YYXVRSHCZRGGKP-UHFFFAOYSA-N 302.294 -0.707 30 20 DBED CCN(CCC#N)C(=O)CN1CC[C@H]1CNC(=O)c1cc[nH]n1 1423063460 SKANWEHKVPSFCC-LBPRGKRZSA-N 318.381 -0.024 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CN(C)C(=O)CCc1ccncn1 1428207752 XVUNKBLUTRVCDC-YPMHNXCESA-N 319.365 -0.496 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H](CO)C[C@H]1CCCO1 1434617796 MOEYZRUVTLSDRO-IJLUTSLNSA-N 305.400 -0.158 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C)CCCS(=O)(=O)N(C)C 1442374605 GRYRDPULNRSVSH-NSHDSACASA-N 304.416 -0.524 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2CCC(=O)NC2)C1 1445965499 ZWQJUXIHDZOVOX-KKOKHZNYSA-N 306.366 -0.317 30 20 DBED CC(=O)NCC(=O)N1CCC[C@H](CN(C)C(=O)[C@H](C)C#N)C1 1447267634 OFOXUVAYQPNKGY-DGCLKSJQSA-N 308.382 -0.021 30 20 DBED CCc1noc(C)c1C(=O)NC[C@H](O)CNC(=O)[C@@H](C)C#N 1452351149 LBXORTONFIQPOA-WCBMZHEXSA-N 308.338 -0.088 30 20 DBED C[C@H](C#N)C(=O)NCC1CN(C(=O)c2ccn3nnnc3c2)C1 1456588999 QLNAIHWDAFGWKX-SECBINFHSA-N 313.321 -0.528 30 20 DBED N#C[C@H]1CN(S(=O)(=O)N2CC[C@@]3(CCOC3=O)C2)CCO1 1475801767 WMJIDBSMKZLYHI-CMPLNLGQSA-N 315.351 -0.905 30 20 DBED C[C@@H](C#N)C(=O)N1CCCCC[C@H]1CNC(=O)Cn1cnnn1 1487124322 STXJYMUBVJKNBL-RYUDHWBXSA-N 319.369 -0.280 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C(=O)CNC(=O)C1CC1)C1CC1 1497541781 ARGATSBXAHPJFG-JTQLQIEISA-N 306.366 -0.221 30 20 DBED C=CCn1c([C@H]2CNC(=O)C2)nnc1N1CC[C@H](C(=O)O)C1 1588471580 BDTOOQFQFANCOJ-VHSXEESVSA-N 305.338 -0.022 30 20 DBED C=CCNC(=O)CN(C)CCCc1[nH]nc(N)c1-c1nn[nH]n1 1588658702 FDBPOLQSXMNNDL-UHFFFAOYSA-N 319.373 -0.661 30 20 DBED CC(C)(C)c1n[nH]c(Cn2c(N)nc(C#N)c2-c2nn[nH]n2)n1 1589243716 BAKKPQLULCOXAG-UHFFFAOYSA-N 313.329 -0.019 30 20 DBED CC(C)NC(=O)[C@@H](C#N)C(=O)[C@@H](C)n1cnc(-c2nn[nH]n2)n1 1589719754 FWMFLHMEWZLKGJ-SFYZADRCSA-N 317.313 -0.747 30 20 DBED N#Cc1nc(N)n(COC(=O)N2CCCC2)c1-c1nn[nH]n1 1592704826 PDALCWYAFDQCBO-UHFFFAOYSA-N 303.286 -0.293 30 20 DBED N#Cc1cn(CCC(=O)NC2(C(=O)O)CCC2)c(=O)nc1O 1601129238 SHHGCCWWKCWNOM-UHFFFAOYSA-N 306.278 -0.666 30 20 DBED C#Cc1ccc(C(=O)N2CCS(=O)(=O)C[C@H]2CC(=O)O)cn1 1602740077 VCRKNOWHDLOTQZ-GFCCVEGCSA-N 322.342 -0.223 30 20 DBED N#Cc1cc(C(=O)O)cn(CC(=O)NC2(C#N)CCC2)c1=O 1608195936 IOAGPTVEDISDKW-UHFFFAOYSA-N 300.274 -0.019 30 20 DBED N#Cc1ccccc1OC[C@H](O)CN1CC[C@](O)(C(=O)O)C1 1608219107 JUETVRBMGJLYQV-IUODEOHRSA-N 306.318 -0.181 30 20 DBED C=CCOC[C@@H](NC(=O)CS(=O)(=O)C(C)(C)C)C(=O)O 1609432419 RYYYYGMDLYEHGJ-SECBINFHSA-N 307.368 -0.028 30 20 DBED N#Cc1ncn(CCNC(=O)N2CCC[C@@]23CCOC3=O)n1 1645783883 WIHBOHDDKPUXAX-ZDUSSCGKSA-N 304.310 -0.359 30 20 DBED CN(CCC#N)C[C@H](O)CNC[C@H]1COC2(CCOCC2)O1 1645857977 WKYTYCHSDZOWHZ-KGLIPLIRSA-N 313.398 -0.296 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)c2cnn(CC)c2)C1 1731431669 AFTXNTWDJHGWIJ-OCCSQVGLSA-N 317.393 -0.155 30 20 DBED C#CCNC(=O)CN(C)CCCNC(=O)c1cccc(O)n1 1751957185 GCXGWONYCKWBCI-UHFFFAOYSA-N 304.350 -0.412 30 20 DBED C#CCNC(=O)CNC[C@@H]1CCCN(C(=O)[C@@H](OC)C2CC2)C1 1752796542 OVQHDFHOKXSVKM-BBRMVZONSA-N 321.421 -0.011 30 20 DBED C#CCNC(=O)[C@H](C)N(CCNC(=O)Cc1ncc[nH]1)C1CC1 1753161266 CKXSVPFFADQGOM-LBPRGKRZSA-N 317.393 -0.329 30 20 DBED C#Cc1ccc(C(=O)N(C)CCN[C@H](C)C(=O)NC(N)=O)nc1 1753253454 MFPHXPXNKXPUFS-SNVBAGLBSA-N 317.349 -0.692 30 20 DBED C=C(C)CN(CC)C(=O)CN1CC(NC(=O)[C@@H]2CCNC2=O)C1 1753383896 OCLSWWZJUFNEIJ-CYBMUJFWSA-N 322.409 -0.653 30 20 DBED C=CCNCC1(NC(=O)c2cn(CC(N)=O)nn2)CCCC1 1753512279 XGIGPXSFABVIKX-UHFFFAOYSA-N 306.370 -0.418 30 20 DBED C=CCNC(=O)CN(C)C[C@@H](C)NC(=O)[C@H]1CCCC(=O)N1C 1754343321 RTLFZZOWINEWKN-CHWSQXEVSA-N 324.425 -0.264 30 20 DBED C=C(C)CN1CC(O)(CNC(=O)c2cnn(CCN(C)C)c2)C1 1754776071 NZUDAFIOWCOWRD-UHFFFAOYSA-N 321.425 -0.203 30 20 DBED CNC(=O)CN1CC(O)(CNC(=O)CC#Cc2ccccc2)C1 1754780425 ZSXPMFMYOUOSIJ-UHFFFAOYSA-N 315.373 -0.663 30 20 DBED C#CCOCCC(=O)N1C[C@H](C)[C@H](NCc2nc(O)n[nH]2)C1 1755109470 VOQMPVRPDDZBJT-WDEREUQCSA-N 307.354 -0.513 30 20 DBED C#CCNC(=O)CN[C@@H](C)[C@H](C)NC(=O)CNC(=O)C(C)(C)C 1755269194 PPJQVHWDGKXJTR-RYUDHWBXSA-N 324.425 -0.619 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H]1C[C@H](NC(=O)[C@@H]2COCCO2)C1 1756245043 ZBQJLQWPRPYSNP-XUXIUFHCSA-N 324.377 -0.549 30 20 DBED CC(C)(C)C#CC(=O)N[C@H](CO)CNC(=O)[C@@H]1CCC(=O)NC1 1756531996 GVXJDWBFOBKDID-NEPJUHHUSA-N 323.393 -0.845 30 20 DBED C=CCCO[C@@H](C)C(=O)N1CC=C(CNC(=O)C(N)=O)CC1 1756780190 YCDCNIMRRMVHJM-NSHDSACASA-N 309.366 -0.272 30 20 DBED C=CCCOCC(=O)N1C[C@@H](O)[C@H](NC(=O)C2=COCCC2)C1 1756985081 QLHXHQWGAODPGV-ZIAGYGMSSA-N 324.377 -0.039 30 20 DBED COCC(=O)N1C[C@@H](O)[C@H](NC(=O)CC#Cc2ccccc2)C1 1757002962 BEDLCJZNDGUZQY-HUUCEWRRSA-N 316.357 -0.238 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(C(=O)c2ccnnc2)C[C@H]1O 1757009367 WXPPDMVVMPELGE-CHWSQXEVSA-N 320.349 -0.629 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)C1CCOCC1)CCO2 1783049854 XJXOTLZRNAHMJR-INIZCTEOSA-N 306.362 -0.124 30 20 DBED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cocn3)[C@H]2C1 1786231875 ZLFCFYDDUGTTHA-GVXVVHGQSA-N 303.318 -0.099 30 20 DBED C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CS(=O)(=O)CC 1793541934 SAXQIVJIRRRHNF-ZSBIGDGJSA-N 312.391 -0.308 30 20 DBED CC(C)(C#N)C(=O)N1CC2(CCCN2C(=O)COCCO)C1 1845210568 AWSVFMZMLOZFIR-UHFFFAOYSA-N 309.366 -0.252 30 20 DBED O=C(C#CC1CC1)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cnnn1 1847747552 VJMXFUDZFIFBSC-STQMWFEESA-N 314.349 -0.712 30 20 DBED CC(C)(O)[C@@H]1[C@@H]2C(=O)O[C@H]1[C@@H]1OC(=O)[C@]34O[C@H]3C[C@@]2(O)[C@]14C 14655819 RYEFFICCPKWYML-XXNXVKNQSA-N 310.302 -0.867 30 20 DBED in-vitro C[C@H](C#N)OC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 16162078 ZVEJMAIWFPCLEA-MRVPVSSYSA-N 305.294 -0.721 30 20 DBED COCCN(C)CCNC(=O)CNC(=O)c1ccc(C#N)cc1 171127500 BGEFPZOSAAVLHJ-UHFFFAOYSA-N 318.377 -0.018 30 20 DBED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCN(C)CC2)CC1 174455606 BANJXQUTPSZMOY-OAHLLOKOSA-N 307.442 -0.074 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(C)C[C@@H]2CCC[C@H]2O)C1=O 270165998 ZGOPSWBWUNVHSQ-WDEREUQCSA-N 323.349 -0.417 30 20 DBED CCN1CCN(C/C(O)=N/[C@@H]2C(O)=NCC[C@H]2C)C(=O)C1=O 328704438 KPSQJUAMGVJCQR-KOLCDFICSA-N 310.354 -0.002 30 20 DBED NS(=O)(=O)[C@@H]1CCN(/C(O)=N/[C@H]2CCN(C3CC3)C2)C1 328865776 ZQPLLFZVBITEDQ-GXSJLCMTSA-N 302.400 -0.500 30 20 DBED OC1=NCCN(CC/N=C(/O)N[C@H]2CCc3ncnn3C2)C1 329697615 FHADCWXNCKXOOO-JTQLQIEISA-N 307.358 -0.631 30 20 DBED Cn1cc(N2CC[C@@H](/N=C(/O)N[C@@H]3[C@H]4COC[C@H]43)C2=O)cn1 329952510 IVWWSJWHTOYDNS-KXNHARMFSA-N 305.338 -0.326 30 20 DBED CC[C@H](N/C(O)=N/C[C@H]1COCCO1)C(=O)N1CCOCC1 330288207 BMYRMGCJYUKUCU-RYUDHWBXSA-N 315.370 -0.457 30 20 DBED COC(=O)[C@@H](O)CNC(=O)[C@@H]1CCCN1/C(O)=N/C(C)C 330734972 VITGNYPGPPZXFR-UWVGGRQHSA-N 301.343 -0.577 30 20 DBED CN(CCC#N)S(=O)(=O)NC(C)(C)CCS(C)(=O)=O 332502756 UTMZFHMASBZHKN-UHFFFAOYSA-N 311.429 -0.120 30 20 DBED C[C@]1(C(N)=O)CCCCN1S(=O)(=O)N1CCO[C@H](C#N)C1 336895292 MPDCDXPKRSFCPA-ZYHUDNBSSA-N 316.383 -0.815 30 20 DBED C[C@@H](C(=O)N(CCC#N)CCN1CCOCC1)N1CCOCC1 339702475 RLIJIVPNGGJPED-HNNXBMFYSA-N 324.425 -0.218 30 20 DBED CN(C)CCCN(CCC#N)C(=O)CN1CCCS1(=O)=O 340880339 MZNMZUGWBBWTFJ-UHFFFAOYSA-N 316.427 -0.284 30 20 DBED C[C@H]1CN(C(=O)C(=O)Nc2ccn(CCC#N)n2)C[C@H](C)N1C 343452620 FMGCYERBAKWWGU-RYUDHWBXSA-N 318.381 0.286 30 20 DBED N#Cc1ccc(S(=O)(=O)CCN2C[C@H](O)C[C@@H]2CO)nc1 343682933 HLGGQTQOHOEZIV-VXGBXAGGSA-N 311.363 -0.846 30 20 DBED C=CCNC(=O)NC(=O)CN1CCSC[C@H]1CC(=O)OC 348572211 SJVWAPLHAISEHI-SNVBAGLBSA-N 315.395 -0.021 30 20 DBED C[C@H](C#N)S(=O)(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 352408501 VIZZEIRCPXPHDC-MNOVXSKESA-N 301.368 -0.449 30 20 DBED N#Cc1nc(N)n(CCN2C(=O)NC3(CCCC3)C2=O)c1C#N 356570686 BKZRFSKVOOQHBB-UHFFFAOYSA-N 313.321 0.073 30 20 DBED C=C[C@@H](CO)NC(=O)c1cc(S(=O)(=O)NCCOC)c[nH]1 356849162 OEOUVIQGYCZGFN-VIFPVBQESA-N 317.367 -0.784 30 20 DBED C[C@H](NC(=O)NCC(=O)NCC#N)C(=O)Nc1ccccc1 358290891 JDTDQKKZUOTEDE-JTQLQIEISA-N 303.322 -0.047 30 20 DBED CNS(=O)(=O)N1CCN(C(=O)c2sccc2C#N)CC1 408075680 ZUGTVRWNMSHJAF-UHFFFAOYSA-N 314.392 -0.158 30 20 DBED N#Cc1ccccc1OC[C@@H](O)CN1CCO[C@@H](C(N)=O)C1 528367167 QFPSSANJAGQEMN-GXTWGEPZSA-N 305.334 -0.516 30 20 DBED CN(C)C(=O)CN1CCN(C(=O)CN2CC(C)(C#N)C2)CC1 568168929 WRDLBJPWFHHOPT-UHFFFAOYSA-N 307.398 -0.936 30 20 DBED N#CCCn1ccc(NC(=O)NCCCn2cc(CO)nn2)n1 589243919 MHMQAAFRMAPBKG-UHFFFAOYSA-N 318.341 0.092 30 20 DBED CN(CCN1CCCCC1)S(=O)(=O)N1CCO[C@@H](C#N)C1 593665102 AQOZZKLWYDEZRM-ZDUSSCGKSA-N 316.427 -0.127 30 20 DBED C[C@H](NC(=O)N1CCN(CCC#N)CC1)[C@@H]1CN(C)CCO1 601585641 JIHJJXQARSOJED-KBPBESRZSA-N 309.414 -0.054 30 20 DBED C=CCNC(=O)[C@H](C)OC(=O)CCCN1C(=O)CN(C)C1=O 729675791 TUXHECXIHORRQI-JTQLQIEISA-N 311.338 -0.106 30 20 DBED Cc1nn(CN2CCO[C@@H](C#N)C2)c(=S)n1CC(=O)N(C)C 729987164 VFGGCORHLVBGEU-NSHDSACASA-N 324.410 -0.007 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)COC[C@H]1CCCO1 733593473 NDHPXJIWYZSLJQ-SNVBAGLBSA-N 300.311 -0.263 30 20 DBED C=CCNC(=O)COC(=O)[C@H](NC(=O)C(C)(C)C)[C@H](C)O 745695479 JMBNQTXFXFOCRR-GXSJLCMTSA-N 300.355 -0.257 30 20 DBED C=C(C)CN(CC)C(=O)COC(=O)CCS(=O)(=O)NC 783190409 RMCDAUMQPJPOHN-UHFFFAOYSA-N 306.384 -0.107 30 20 DBED C#CCOCCNC(=O)C(=O)Nc1ccn(-c2ccncc2)n1 785153592 XIZVKJZQCQYHBS-UHFFFAOYSA-N 313.317 -0.028 30 20 DBED C#CCn1cc(CNC(=O)c2ccc(S(=O)(=O)NC)o2)cn1 788211139 BTEIBKBJJGHFFH-UHFFFAOYSA-N 322.346 -0.053 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1CCC2(C1)OCCO2 800050632 YHQVYDVCAOOFJM-UHFFFAOYSA-N 319.383 -0.458 30 20 DBED C#Cc1cc(F)c(NC(=O)C(=O)NCC(=O)NCC#N)c(F)c1 807401120 JERBFQGQFRUMRW-UHFFFAOYSA-N 320.255 -0.359 30 20 DBED CC#CCS(=O)(=O)NC(=O)c1ccc(CS(C)(=O)=O)o1 810774970 ROPBHCKSTQGGBL-UHFFFAOYSA-N 319.360 -0.093 30 20 DBED N#Cc1ccc([C@H](OC(=O)C2(n3cnnn3)CC2)C(N)=O)cc1 849995477 JMDVSRFWVNSNPH-NSHDSACASA-N 312.289 -0.196 30 20 DBED COCCCNC(=O)[C@@H](C#N)C(=O)c1ccn2nnnc2c1 850753338 YBRPELJVHOCIFS-JTQLQIEISA-N 302.294 -0.401 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCC(CCC(=O)O)CC1 851680442 IELQYRIAEJCHAI-UHFFFAOYSA-N 310.350 -0.144 30 20 DBED C#CCNC(=O)[C@@H](C)OC(=O)CN1C(=O)N[C@](C)(CC)C1=O 854015557 UJSKPDSCNODDIW-YMTOWFKASA-N 309.322 -0.612 30 20 DBED C#CCNC(=O)[C@@H](C)OC(=O)CCN1C(=O)NC(C)(C)C1=O 857270188 RSQMWDJGOLVBPV-SECBINFHSA-N 309.322 -0.612 30 20 DBED C=CCNC(=O)COC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 860039808 BBHNCUBOTMSJLJ-JTQLQIEISA-N 304.368 -0.497 30 20 DBED C#CC[C@H](CCOC)NC(=O)Cn1cc(S(N)(=O)=O)cn1 863787881 HFDQCSUHGACCIB-SNVBAGLBSA-N 314.367 -0.925 30 20 DBED C#CC[C@@H](CCOC)NC(=O)CN1CCS(=O)(=O)CC1 863789471 NFUZCEQIHUNFPH-LBPRGKRZSA-N 302.396 -0.739 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2cc(CC)nn2C)CC1 874342878 NIYJXKYJFLWKNM-UHFFFAOYSA-N 317.393 -0.510 30 20 DBED CN(CCS(N)(=O)=O)C(=O)C#Cc1ccc2c(c1)OCO2 874600298 MCUXZNUFRLRVLD-UHFFFAOYSA-N 310.331 -0.486 30 20 DBED CC[C@H]1COCCN1CCNC(=O)[C@H](C)n1cnc(C#N)n1 874707985 HRTBHKXKOJUYOH-RYUDHWBXSA-N 306.370 -0.062 30 20 DBED C#CC1(O)CN(S(=O)(=O)c2cnc(NC(C)=O)s2)C1 908228420 MKIMIGGQGURRIK-UHFFFAOYSA-N 301.349 -0.530 30 20 DBED CN(C(=O)Cn1cncn1)[C@@H]1CCN(C(=O)C#CC2CC2)C1 937354344 XSQPRNXODMISDR-CYBMUJFWSA-N 301.350 -0.249 30 20 DBED C=C(C)C(C)(C)C(=O)N1CC[C@@H](NC(=O)Cn2cnnn2)C1 939334194 OZBFVCDRGHQSKI-LLVKDONJSA-N 306.370 -0.008 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CNC(=O)N3)C[C@H]2C)C1 939989971 XOBFDLKKTCFJSC-GRYCIOLGSA-N 320.393 -0.013 30 20 DBED C=CC(C)(C)C(=O)N1CC(N(C)C(=O)C[C@@H]2CC(=O)NC2=O)C1 954741499 OOGUXLHLBFWIKH-JTQLQIEISA-N 321.377 -0.079 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCN(C(=O)C(N)=O)[C@@H](C)C2)nn1 955806735 XDNDHBNYQJIJSV-UWVGGRQHSA-N 320.353 -0.941 30 20 DBED Cn1nc(C2CC2)cc1C(=O)NC[C@H]1CN(CC#N)C[C@H]1O 958111705 OYUDGIWWIMTHDV-SMDDNHRTSA-N 303.366 -0.156 30 20 DBED C#CCCN1C[C@@H](O)[C@@H](CNC(=O)c2cn(C)nc2COC)C1 958190432 GWCPMLYAOCOMHV-SWLSCSKDSA-N 320.393 -0.388 30 20 DBED C#CCCN1C[C@H](CNC(=O)c2cnc3cccnn23)[C@@H](O)C1 958466826 BFCTWUBICCVSDX-JSGCOSHPSA-N 313.361 -0.225 30 20 DBED C#CCOc1ncccc1C(=O)NC[C@H]1CN(CCO)C[C@H]1O 958593617 ATJWBUFCMCQJDD-GXTWGEPZSA-N 319.361 -0.892 30 20 DBED C=C(Cl)CN1C[C@H]2[C@H](NC(=O)Cn3cnc(C(N)=O)n3)[C@H]2C1 959970442 BIPOMMYMCHCSBN-JZYVYDRUSA-N 324.772 -0.824 30 20 DBED C#CCN1C[C@@H]2C(NC(=O)c3cnc4c(c3)NC(=O)CO4)[C@H]2C1 960824698 IDOGMJLMRLOQIJ-QWRGUYRKSA-N 312.329 -0.294 30 20 DBED N#Cc1ccc(CN2C[C@H]3C(NC(=O)C(N)=O)[C@@H]3C2)cc1F 961633712 BFFLIAMIYXJDBS-GHMZBOCLSA-N 302.309 -0.271 30 20 DBED CC#CCN1C[C@H]2[C@H](NC(=O)[C@@H]3CCCS(=O)(=O)C3)[C@H]2C1 961912587 SCZDVFWZJALWEE-MQYQWHSLSA-N 310.419 -0.119 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CN(C(=O)C3CCC3)C[C@@H]2O)c[nH]1 962388644 BHHROVBHIKANBN-OLZOCXBDSA-N 302.334 -0.012 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CN(C(=O)CCC)C[C@@H]2O)nn1 963309423 FCLVFSOJEARCDU-PWSUYJOCSA-N 307.354 -0.434 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H]2CN(C(=O)Cc3nc[nH]n3)C[C@H]21 963828933 SKKYDLOUKOJHGW-SDDRHHMPSA-N 316.365 -0.044 30 20 DBED Cc1cc(C(=O)NC[C@H]2COCCN2C(=O)[C@H](C)C#N)n[nH]1 964095202 TZSVGNLHCGRACK-KOLCDFICSA-N 305.338 -0.165 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)c1ccnc(O)c1 964151911 JHLFOGIUMRFDJD-ZYHUDNBSSA-N 318.333 -0.096 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)c1cncnc1O 964242265 SCTZCHFILWTWQL-NXEZZACHSA-N 319.321 -0.701 30 20 DBED C=C(Cl)CN[C@@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 970118405 FGHQRTUNSUJGMR-BDAKNGLRSA-N 300.746 -0.473 30 20 DBED C[C@H](NCc1ncnn1C)[C@H]1CN(C(=O)C#CC2CC2)CCO1 979329488 IQKKJJMASGYBSQ-GXTWGEPZSA-N 317.393 -0.066 30 20 DBED CN1CC(=O)N(CC(=O)N[C@@H]2CCC[C@H](NCC#N)C2)C1=O 981507563 YQTRGNQTPNVFPX-WDEREUQCSA-N 307.354 -0.579 30 20 DBED C#Cc1ccc(C(=O)N(C)[C@@H]2CCCN(C(=O)C(N)=O)C2)cn1 984572198 NENVBVIHQQAXJU-CYBMUJFWSA-N 314.345 -0.389 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H](N(C)C(=O)Cn2cnnn2)C1 984589410 UGQDFIUQFHGNBZ-WDEREUQCSA-N 305.342 -0.718 30 20 DBED CN(CC#N)C1CCN(C(=O)[C@@H]2CCN(C)S2(=O)=O)CC1 985696828 MACPGIBIRZFRNJ-LBPRGKRZSA-N 314.411 -0.533 30 20 DBED COCC(=O)N1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@H](O)C1 991388631 PYRQNKXJOPQXRD-ZYHUDNBSSA-N 306.322 -0.776 30 20 DBED C=CC(C)(C)C(=O)N1CCC(OC2CN(C(=O)C(N)=O)C2)CC1 994809418 UGPHIYTWQNZGQL-UHFFFAOYSA-N 323.393 -0.098 30 20 DBED Cn1cc(C(=O)NCC2CCN(CC#N)CC2)c(O)nc1=O 1002114582 HJIQSGFOVBRMGL-UHFFFAOYSA-N 305.338 -0.549 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC(CNC(=O)c2cnn[nH]2)C1 1003121967 ZBSSBWSEEXKPIB-ZDUSSCGKSA-N 316.365 -0.910 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](NC(=O)Cn2nccn2)C(C)(C)C1 1008188401 ISHJHTVDYUQWSC-QWRGUYRKSA-N 304.354 -0.209 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C(=O)[C@@H]2CCS(=O)(=O)C2)CC1 1011495027 AZIQZONJCDDORY-GHMZBOCLSA-N 313.379 -0.748 30 20 DBED Cn1nc(C(=O)N[C@@H]2CC23CCN(CC#N)CC3)ccc1=O 1016962091 WUVNWFJLIDVUNM-GFCCVEGCSA-N 301.350 -0.112 30 20 DBED CC#CCN1CCCC[C@@H]1CNC(=O)[C@H]1CCS(=O)(=O)N1 1024805815 DKICNIPBCSEQGL-CHWSQXEVSA-N 313.423 -0.328 30 20 DBED C#CCN(C)[C@H]1CCCN(C(=O)Cn2nc(C)n(C)c2=O)C1 1027666142 BDIUZASPZOGBIN-ZDUSSCGKSA-N 305.382 -0.554 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)[C@@H](C)n3cncn3)C2)C1=O 1030233416 FJXPDFNYFUSOMQ-YPMHNXCESA-N 318.381 -0.574 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)c3cncnc3)C2)C1=O 1030242016 IYNXFBUNAAIAOE-CYBMUJFWSA-N 301.350 -0.323 30 20 DBED C#CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC(=O)N(CCOC)C1 1032431284 AYBQVIGETZJWPA-IHRRRGAJSA-N 305.378 -0.600 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2CN(CCCO)CCO2)cn1 1035582056 VHEWPZXBQNPZIG-OAHLLOKOSA-N 303.362 -0.124 30 20 DBED Cn1cnn(CCC(=O)N2CCC3(CC2)CN(CC#N)C3)c1=O 1035754637 FGGQYCPMGHKGBN-UHFFFAOYSA-N 318.381 -0.580 30 20 DBED N#CCN1CC2(CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)CC2)C1 1035792503 BBBUKYPTQTWDAU-NWDGAFQWSA-N 306.366 -0.533 30 20 DBED N#CCN1CC2(CCN(C(=O)[C@@H]3CCS(=O)(=O)N3)CC2)C1 1035854499 KCKVVUQZNYXHIR-NSHDSACASA-N 312.395 -0.874 30 20 DBED C=CCN[C@@H]1CCN(C(=O)Cn2nc(C)n(C)c2=O)C[C@@H]1C 1036274421 BRVHHSPOEKNZQE-WCQYABFASA-N 307.398 -0.097 30 20 DBED C#CCCN1CC[C@H]2CN(C(=O)Cn3c(O)nnc3O)CC[C@@H]21 1036880133 ZTKIOEKEXDIJAB-RYUDHWBXSA-N 319.365 -0.365 30 20 DBED Cn1nc(C(=O)N2CC[C@@H]3[C@H](CCN3CC#N)C2)ccc1=O 1036887076 LKSDGIHXPRXMKF-DGCLKSJQSA-N 301.350 -0.160 30 20 DBED C=CCN[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)C[C@@H]1CC 1037988946 ZEIQAHLIQYLJFU-RYUDHWBXSA-N 308.382 -0.059 30 20 DBED CC#CCN1CC[C@@H]1CNC(=O)[C@H]1CC(=O)N(CCOC)C1 1038317026 GTQDDMSRVPZGLG-UONOGXRCSA-N 307.394 -0.305 30 20 DBED Cc1c(C(=O)N2CC[C@@](O)(CNC(=O)[C@@H](C)C#N)C2)cnn1C 1040759866 DKTBLQOWYSBPSL-ZUZCIYMTSA-N 319.365 -0.419 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)[C@H]2C[C@H]2OCC)C1 1041691331 SFGCKGONKZBLKU-QWHCGFSZSA-N 324.377 -0.859 30 20 DBED CO[C@H](C)C(=O)NCC1(O)CN(C(=O)c2ccc(C#N)[nH]2)C1 1041758061 DKAYEBRNRBIXKL-SECBINFHSA-N 306.322 -0.776 30 20 DBED C#CCCCCC(=O)NCC1(O)CN(C(=O)c2cnnn2C)C1 1042655126 HTDYSLDIDWASBE-UHFFFAOYSA-N 319.365 -0.688 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(O)(CNC(=O)[C@@H]2CC2(F)F)C1 1042911815 WYMXAHMELTXJSC-CABZTGNLSA-N 318.320 -0.342 30 20 DBED CNC(=O)CCCCC(=O)NCC1(O)CN(C(=O)[C@H](C)C#N)C1 1043561948 JBWQPUXSFMVZNB-LLVKDONJSA-N 324.381 -0.858 30 20 DBED Cn1cnc(C(=O)N[C@@H]2CN(c3ccncc3C#N)C[C@@H]2O)n1 1043932801 NSJBKKHIXBFXIG-PWSUYJOCSA-N 313.321 -0.939 30 20 DBED C#Cc1ccc(C(=O)N(C)C2CN(Cc3nnn(C)n3)C2)nc1 1044198839 AFHSDQKXEGXXMX-UHFFFAOYSA-N 311.349 -0.457 30 20 DBED C=C(C)CCN1CC(N(C)C(=O)[C@@H]2CCS(=O)(=O)N2)C1 1044307090 JUSPHHQGJLSAMG-LBPRGKRZSA-N 301.412 -0.213 30 20 DBED C#CCCN1CC(N(C)C(=O)c2cn(CC(=O)N(C)C)nn2)C1 1044336664 SRMZLPJNYYFRCD-UHFFFAOYSA-N 318.381 -0.854 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@@H](C)CO2)C1 1044564452 NXXQIBSFCMKCQT-NEPJUHHUSA-N 312.366 -0.697 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)[C@H]2CCO[C@H]2C)C1 1045293677 QEWZSTJJIFSNJQ-STQMWFEESA-N 308.378 -0.096 30 20 DBED C=C(C)CCC(=O)N1CC(O)(CNC(=O)[C@]2(C)CCC(=O)N2)C1 1046202245 DUBPRKCTIXNLJO-HNNXBMFYSA-N 323.393 -0.299 30 20 DBED C[C@]1(NC(=O)c2ccc(C#N)[nH]2)CCN([C@H]2CCNC2=O)C1 1046249691 ZZLQOUOQYYTBFF-WFASDCNBSA-N 301.350 -0.031 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)c2cccn2C)C[C@@H]1O 1049389063 SHLFLQKKAVYOCO-DRZSPHRISA-N 304.350 -0.172 30 20 DBED C[C@@H]1[C@@H](NC(=O)[C@H]2COC(=O)N2)CCN1c1nccnc1C#N 1050215345 PTXYBUROZWWEAX-WCABBAIRSA-N 316.321 -0.460 30 20 DBED CC(=O)N1CCC[C@H](C(=O)NC[C@@H]2COCCN2CC#N)C1 1051008540 XREVDIPFOVLINN-UONOGXRCSA-N 308.382 -0.415 30 20 DBED C=CCCN1CCOC[C@@H]1CNC(=O)[C@@H]1CCS(=O)(=O)N1 1051247349 FLJXZARZBBBLNW-RYUDHWBXSA-N 317.411 -0.929 30 20 DBED C#CCCN1CCC[C@H](NC(=O)CN2C(=O)CNC2=O)CC1 1052920202 VUJTZXZMCWCMIZ-LBPRGKRZSA-N 306.366 -0.468 30 20 DBED C=CCN1CC2(C[C@H](NC(=O)c3nccnc3C(N)=O)CO2)C1 1054002948 MFNMPLUWHBYSRL-JTQLQIEISA-N 317.349 -0.665 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)c3cc(C(N)=O)ccn3)CO2)C1 1054027673 RZNVQCWZVFBSDM-LLVKDONJSA-N 315.333 -0.723 30 20 DBED CC(=O)NCC(=O)N[C@]1(CO)CCCN(C(=O)C#CC2CC2)C1 1055718934 TXVSGCYFAVKJCK-MRXNPFEDSA-N 321.377 -0.994 30 20 DBED N#Cc1cnc(N2C[C@H]3[C@H](NC(=O)c4nccnc4N)[C@H]3C2)cn1 1056153199 QQEBPPZZDJMHNA-IAZYJMLFSA-N 322.332 -0.415 30 20 DBED N#Cc1ccc(N2CCCN(C(=O)Cc3nc[nH]n3)CC2)nn1 1057175362 GAUNMHMOIZFXNX-UHFFFAOYSA-N 312.337 -0.252 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)CCOCC 1057186675 PQQSBTGEXVPXOF-UHFFFAOYSA-N 302.371 -0.447 30 20 DBED N#Cc1c[nH]c(C(=O)NCCN(CCO)C(=O)C#CC2CC2)c1 1057531712 WHWXPMVZAACNET-UHFFFAOYSA-N 314.345 -0.150 30 20 DBED C#CCO[C@H](C)C(=O)N(CCO)CCNC(=O)c1cnc(C)[nH]1 1057583664 WKZUZCCWASZHGL-LLVKDONJSA-N 322.365 -0.693 30 20 DBED N#Cc1ccc(N[C@@H]2CCCN(C(=O)Cn3cnnn3)C2)nn1 1057585141 DJAQHCMETBPGPR-LLVKDONJSA-N 313.325 -0.562 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)C[C@@H]1CCNC1=O 1057828335 QDDSDRIQUHZPJM-ZDUSSCGKSA-N 323.393 -0.891 30 20 DBED C=CCCOCC(=O)N(CCO)CCNC(=O)[C@@H](C)COC 1057919391 YVPKATZTLICCLU-ZDUSSCGKSA-N 316.398 -0.201 30 20 DBED N#Cc1cnc(N2CC[C@H](NC(=O)Cn3cnnc3O)C2)cn1 1058321135 SIHCEQGPBBQIQP-VIFPVBQESA-N 314.309 -0.960 30 20 DBED N#Cc1nccc(N2CC[C@H](NC(=O)c3cnnc(O)c3)C2)n1 1058473237 SSOCYAKNLKEDRV-JTQLQIEISA-N 311.305 -0.147 30 20 DBED C=CCO[C@H](C)C(=O)NCCN(CCO)C(=O)c1cccnn1 1058532312 UINNQMRHQWPPPP-GFCCVEGCSA-N 322.365 -0.382 30 20 DBED N#Cc1cncc(N[C@H]2C[C@H](NC(=O)[C@H]3CCNC3=O)C2)n1 1059364669 CUXNRHZVUXGZPI-QXEWZRGKSA-N 300.322 -0.457 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@@H]1CCN(C(=O)[C@@H](C)C#N)C1 1060288821 GACPGWQEOPNLNK-QWHCGFSZSA-N 318.377 -0.360 30 20 DBED N#Cc1nccnc1N1CCC[C@@H]1CNC(=O)[C@@H]1COC(=O)N1 1061353275 GGZBABSFFQNALY-KOLCDFICSA-N 316.321 -0.458 30 20 DBED C=CCCC(=O)NC[C@H]1COCCN1C(=O)[C@H]1COCCO1 1061397810 ZPSSLPWEPSOWHT-QWHCGFSZSA-N 312.366 -0.288 30 20 DBED C=CCCC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1CCC(=O)N1 1061411736 JQFWTCGOUZCULU-RYUDHWBXSA-N 309.366 -0.425 30 20 DBED N#Cc1nccc(N2CCC[C@@H]2CNC(=O)[C@H]2C[C@H]2C(N)=O)n1 1061445564 USDDHMKDCPIZEO-MXWKQRLJSA-N 314.349 -0.445 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@H]1COCCN1C(=O)c1nc[nH]n1 1061542371 JLDZWJVWDDQQPS-HZMBPMFUSA-N 323.353 -0.911 30 20 DBED Cc1nonc1C(=O)N1CCOC[C@H]1CNC(=O)[C@@H](C)C#N 1061850745 BCIHJXDQJSNFGD-WCBMZHEXSA-N 307.310 -0.505 30 20 DBED Cc1nccc(C(=O)N2CCOC[C@@H]2CNC(=O)[C@@H](C)C#N)n1 1061853155 QEVGNRGIYAQFIV-JQWIXIFHSA-N 317.349 -0.098 30 20 DBED N#Cc1cnccc1N1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CNC(=O)N1 1062569776 QSRIVOCFPGMGDB-SDDRHHMPSA-N 312.333 -0.576 30 20 DBED C#CCOCCC(=O)NCC1(NC(=O)[C@@H]2CCNC2=O)CCC1 1063042072 MDMYEQDWFKVFSS-GFCCVEGCSA-N 321.377 -0.683 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CN(C(=O)c2cc(=O)n(C)o2)CCO1 1065087572 RAUTWDHYSUAIGZ-NXEZZACHSA-N 322.321 -0.905 30 20 DBED Cn1cnc(C(=O)N2CCO[C@@H](CNC(=O)C#CC3CC3)C2)n1 1065116273 RRDBVMGVSQSVAP-LBPRGKRZSA-N 317.349 -0.814 30 20 DBED C=CCCOCC(=O)NC[C@@H]1CN(C(=O)c2cnn[nH]2)CCO1 1065328150 MGHABEAHYKBRLD-LLVKDONJSA-N 323.353 -0.645 30 20 DBED N#Cc1ccc(N2C[C@H]3CN(C(=O)Cn4cnnn4)C[C@H]3C2)cn1 1065958624 ODUXHIVUBMGDKJ-TXEJJXNPSA-N 324.348 -0.465 30 20 DBED Cc1nn[nH]c1C(=O)NC1CC(CN=c2cc[nH]c(C#N)n2)C1 1067878570 AYFGYNJUTYGOEJ-UHFFFAOYSA-N 312.337 -0.183 30 20 DBED C=C[C@@H](C)[C@@H](C)C(=O)N1CCOC2(CN(C(=O)CC(N)=O)C2)C1 1068436221 FWYIEYXSNUJLNM-VXGBXAGGSA-N 323.393 -0.240 30 20 DBED CCN(C)CCC(=O)N1CCOC2(C1)CN(C(=O)[C@H](C)C#N)C2 1068461980 XMPIPNYYCXZUGE-CYBMUJFWSA-N 322.409 -0.072 30 20 DBED CN(C(=O)[C@@H]1CNC(=O)N1)C1CC(Nc2nccnc2C#N)C1 1069792457 RVECSJMNYWDIJP-AMUVOQDHSA-N 315.337 -0.569 30 20 DBED C=CCN[C@@H]1CN(C(=O)c2cnns2)C[C@@H]1n1ccnn1 1070149140 QMTVWARCRTWINL-ZJUUUORDSA-N 305.367 -0.029 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)c2ccnn2C)CCOCC1 1070231255 QRVLWGICDBSPST-NSHDSACASA-N 319.365 -0.025 30 20 DBED C=CCN1C[C@H]2C[C@H]3CN(C(=O)CN4CCOCC4)C[C@@]3(C1)O2 1070786975 SIUULLHPSLRWHQ-ZMSDIMECSA-N 321.421 -0.194 30 20 DBED C#CCCN1C[C@H]2C[C@@H]3CN(C(=O)[C@@H]4CCNC4=O)C[C@@]3(C1)O2 1070835153 IHJHOOBEZNAJMT-VMUDFCTBSA-N 317.389 -0.553 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)[C@H]2C[C@]23CCOC3)CC1 1071014144 AYXJBFVNHHRTSL-PBHICJAKSA-N 319.405 -0.303 30 20 DBED C[C@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@@]2(CCN(CC#N)C2)O1 1071179008 ZFGFISPEIQPXDF-NHYWBVRUSA-N 308.382 -0.287 30 20 DBED C=CCCOCC(=O)N1C[C@H](C)[C@@H](NC(=O)c2cnn(C)n2)C1 1072333453 NPPBYRCRFWBYPW-AAEUAGOBSA-N 321.381 -0.016 30 20 DBED C[C@H]1CN(C(=O)Cc2nc[nH]n2)C[C@H]1NC(=O)CSCC#N 1072777952 KIUUOMCSTRTJOB-VHSXEESVSA-N 322.394 -0.433 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCN(C(=O)COC)CC1(C)C 1073370882 UKMKECPKJDWOFG-GFCCVEGCSA-N 323.393 -0.484 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)CCc3nc[nH]n3)C[C@H]21 1074212791 WEBNQMBAJILWTL-CHWSQXEVSA-N 303.366 -0.328 30 20 DBED C=C[C@H](C)[C@H](C)C(=O)N1CCC(O)(CNC(=O)C(N)=O)CC1 1074679655 CFYHSVJPOBGDAG-QWRGUYRKSA-N 311.382 -0.600 30 20 DBED CC(C)C#CC(=O)N[C@@H](C)CCNC(=O)CS(C)(=O)=O 1075817301 PADPNUOTUUVTSI-NSHDSACASA-N 302.396 -0.299 30 20 DBED C[C@@H](CCNC(=O)CCS(C)(=O)=O)NC(=O)[C@@H](C)C#N 1077263523 CPSSABJKLGWANS-UWVGGRQHSA-N 303.384 -0.408 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)CN2CCCNC2=O)C1 1077296931 LTETXSHLBSSVOX-CHWSQXEVSA-N 310.398 -0.471 30 20 DBED C[C@@H](CCNC(=O)c1c[nH]c(=O)cn1)NC(=O)C#CC1CC1 1078077083 JBJWFDIFTLUOBA-JTQLQIEISA-N 302.334 -0.192 30 20 DBED C#CCN[C@H]1C[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)C12CCC2 1078804028 RMSNVSOBESDOMY-NWDGAFQWSA-N 318.377 -0.469 30 20 DBED N#Cc1c[nH]c(C(=O)N2C[C@H]3CC[C@H]2[C@@H](NCC(N)=O)C3)c1 1078910707 RNONJFDTKXEHED-GAFUQQFSSA-N 301.350 -0.046 30 20 DBED C#CCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)CC(=O)NCC)C1 1079774296 ABTZOXGUNQFWOL-LBPRGKRZSA-N 323.393 -0.390 30 20 DBED C#CCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)[C@@H](C)CC(N)=O)C1 1079775271 VVKZSWHOMUIXJV-RYUDHWBXSA-N 323.393 -0.405 30 20 DBED CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)[C@]2(C)CCNC2=O)C1 1080416829 QYSBPZWSAZYSGX-ZUZCIYMTSA-N 306.366 -0.268 30 20 DBED CCN(C(=O)[C@H]1C[C@H]1C(N)=O)C1CN(C(=O)CSCC#N)C1 1080563056 YFXSAEPBWNFPTQ-MNOVXSKESA-N 324.406 -0.576 30 20 DBED C#CCOCCC(=O)N1CCC(CO)(NC(=O)C2CC2)CC1 1080662511 OTAAQHFYKZOMNE-UHFFFAOYSA-N 308.378 -0.094 30 20 DBED Cc1cc(C(=O)N2C[C@@H](O)[C@H](CNC(=O)C#CC(C)C)C2)n[nH]1 1081464277 XTLUIOTWCAPMKD-TZMCWYRMSA-N 318.377 -0.073 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2c[nH]c(=O)cn2)C1 1081698695 VFCPWPKWQOEXEA-PWSUYJOCSA-N 320.349 -0.715 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@H](CNC(=O)Cc2cnc[nH]2)C1 1081800923 WWRZTSBKXJBQAY-YPMHNXCESA-N 322.365 -0.910 30 20 DBED C#CCN1C[C@@H](NC(=O)c2c(OC)ccnc2O)[C@H](OC)C1 1082329457 SMCNSNCZZDHHTB-ZYHUDNBSSA-N 305.334 -0.142 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCN(C)C(=O)C2)C1 1083577789 HVFMEROSPQBJJE-MJBXVCDLSA-N 309.410 -0.018 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2cc(=O)c3ccccc3[nH]2)C1 1083616773 FKIVPWLMGNEBNI-HIFRSBDPSA-N 312.329 -0.173 30 20 DBED C=CCN[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1c1cnn(C)c1 1086977858 PVEJBCWQAYUMBK-QWHCGFSZSA-N 315.381 -0.068 30 20 DBED C#CCN[C@@H]1CCCCCN(C(=O)CN2CCN(C)C(=O)C2)C1 1088338808 OBSJAHBBASLKSX-OAHLLOKOSA-N 320.437 -0.246 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2nnn(C(C)(C)C)n2)[C@H](O)C1 1090278932 IDTQXPVHIIQPDC-NWDGAFQWSA-N 320.397 -0.384 30 20 DBED C=CCN1CC[C@@H](NC(=O)c2cnn(CCN(C)C)c2)[C@H](O)C1 1090636041 BXKHFLZFYRIZJN-HUUCEWRRSA-N 321.425 -0.204 30 20 DBED C=C(C)CCC(=O)N[C@@H]1CN(c2nccn3nnnc23)C[C@@H]1O 1091152115 HKLSNSYPVKYYGW-MNOVXSKESA-N 317.353 -0.459 30 20 DBED C=C(C)CN1C[C@@H]2CN(C(=O)CN3C(=O)CNC3=O)C[C@]2(C)C1 1092260170 OOGWTSAACLVNFJ-WBMJQRKESA-N 320.393 -0.105 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ncccn1 1092969990 SLDFIMJRSQYEEM-UPJWGTAASA-N 313.361 -0.158 30 20 DBED CCC(=O)NCC(=O)NC1[C@@H]2CN(c3ccc(C#N)nn3)C[C@@H]12 1093234054 GSQSJGVNYXIBIG-GHMZBOCLSA-N 314.349 -0.575 30 20 DBED C#CCO[C@H](C)C(=O)NCCN=c1cc[nH]c(C(=O)OC)n1 1093878636 VFFNYVSSFSCHGI-SNVBAGLBSA-N 306.322 -0.749 30 20 DBED Cc1nn[nH]c1C(=O)NCc1cn(C2CN(CC#N)C2)nn1 1094309758 OONVDHCQADMPRO-UHFFFAOYSA-N 301.314 -0.985 30 20 DBED N#Cc1nccnc1NCCCNC(=O)C[C@H]1CC(=O)NC1=O 1094485318 GHUAGOMANDJROI-VIFPVBQESA-N 316.321 -0.681 30 20 DBED C#CCCN1CC(N2C[C@@H](NC(=O)[C@@]3(F)CCOC3)CC2=O)C1 1094777844 CVXPJRBXEHBQJZ-BLLLJJGKSA-N 323.368 -0.460 30 20 DBED COCC(=O)N(C)CC(=O)NCCCNc1nccnc1C#N 1094849507 HLOYBMAHJACBSD-UHFFFAOYSA-N 320.353 -0.629 30 20 DBED C#CCN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN1C(=O)CNC1=O)C2 1095052740 YXRKHXUNOPJXOG-TUAOUCFPSA-N 304.350 -0.860 30 20 DBED CNC(=O)NCC(=O)NCCCN(C)c1ccc(C#N)nn1 1095762630 AIYFTZHMLLXVTN-UHFFFAOYSA-N 305.342 -0.780 30 20 DBED CCS(=O)(=O)CC(=O)N[C@H]1C[C@H](N=c2cc[nH]c(C#N)n2)C1 1097033459 WJYZHNWWBNWAQJ-MGCOHNPYSA-N 323.378 -0.736 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC(N(CCO)CCOC)CC1 1098368932 MIWVHOZBAWIRRO-AWEZNQCLSA-N 312.410 -0.044 30 20 DBED C#CCCN(CCO)C1CCN(C(=O)C[C@@H]2CCNC2=O)CC1 1098390752 XLYYASAGDDEEHT-AWEZNQCLSA-N 321.421 -0.179 30 20 DBED C#CCN(CCO)C1CCN(C(=O)CN2CCCNC2=O)CC1 1098418688 BDRREDLSWRJMFL-UHFFFAOYSA-N 322.409 -0.680 30 20 DBED Cc1occc1C(=O)N[C@H]1CCN(CC(=O)NCC#N)C[C@H]1O 1099644938 LTRMJILKFNSXQU-QWHCGFSZSA-N 320.349 -0.607 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)c2cncn2C)[C@H](O)C1 1099906035 IBUAVGYSPMZMRU-GXTWGEPZSA-N 308.382 -0.212 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)Cn2nccc2C)[C@@H](O)C1 1100022078 GWVAHLMBJDHUOK-GJZGRUSLSA-N 322.409 -0.054 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)c2ccncn2)[C@@H](O)C1 1100039983 ZHKNPTDHJRARGT-OCCSQVGLSA-N 306.366 -0.156 30 20 DBED Cc1cc(C#N)nc(N(C)CCNC(=O)CCNC(N)=O)n1 1100099065 CYDQXVDSFYAJBU-UHFFFAOYSA-N 305.342 -0.733 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)Cn2cncn2)[C@H](O)C1 1100101861 UBNWFZBGRNWGKR-QWHCGFSZSA-N 309.370 -0.968 30 20 DBED CCS(=O)(=O)CC(=O)NCCN(C)c1ncccc1C#N 1100148081 LFNZYTWLFXGMIL-UHFFFAOYSA-N 310.379 -0.060 30 20 DBED CCN(CCNC(=O)[C@H]1CCNC1=O)c1ccnc(C#N)n1 1100694548 CZGNFNMZIFTIST-JTQLQIEISA-N 302.338 -0.573 30 20 DBED C[C@@H](C(=O)N(C)CCN=c1cc[nH]c(C#N)n1)n1cncn1 1101564599 WRRCPUAZUXZSCB-JTQLQIEISA-N 300.326 -0.507 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)CNC(C)=O)c3nccn32)C1 1101604457 VPDOETXGJQZSAD-LBPRGKRZSA-N 301.350 -0.776 30 20 DBED CN(CCNc1ncccc1C#N)C(=O)CN1C(=O)CNC1=O 1101606609 GXGBOEXNPXZXLP-UHFFFAOYSA-N 316.321 -0.625 30 20 DBED CN(CCNc1ncccc1C#N)C(=O)CCn1cnnn1 1101739831 BJWNBGIVBSMROF-UHFFFAOYSA-N 300.326 -0.100 30 20 DBED Cc1cc(=NCCN(C)C(=O)[C@@H](C)S(C)(=O)=O)c(C#N)c[nH]1 1102032576 OWMDNJQTPSYZFL-LLVKDONJSA-N 324.406 -0.013 30 20 DBED COCC#CCN1C[C@@H](C)[C@H](CNC(=O)C[C@@H]2CCNC2=O)C1 1102043442 AEYITSFLKDOYBM-QLFBSQMISA-N 321.421 -0.154 30 20 DBED CC[C@@H](CNC(=O)CCNC(N)=O)N=c1cc[nH]cc1C#N 1103092047 LHMPREYXSYZSHF-NSHDSACASA-N 304.354 -0.260 30 20 DBED CO[C@@H](C)C(=O)N1C[C@@H](C)[C@H](CCNCC(=O)NCC#N)C1 1103945936 FNJFOLJLLKDLOF-FRRDWIJNSA-N 310.398 -0.265 30 20 DBED C[C@H](CNC(=O)CC(=O)N(C)C)CNc1cnc(C#N)cn1 1104229179 DQJOQNZQNZMIGE-JTQLQIEISA-N 304.354 -0.009 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)C[C@H]1CCNC1=O 1104712303 KZHXJMWNJBOQKP-WDEREUQCSA-N 316.365 -0.445 30 20 DBED Cc1cc(C(=O)N2CC(n3cc(CNCC#N)nn3)C2)cnn1 1105221756 TZVACUUVIINJMN-UHFFFAOYSA-N 312.337 -0.313 30 20 DBED CN(CCN(C)c1ccc(C#N)nn1)C(=O)c1c[nH]c(=O)cn1 1105532443 ZSBVMVRNTNHXOG-UHFFFAOYSA-N 313.321 -0.360 30 20 DBED CC(C)CO[C@H](C)C(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1 1105727372 MJZZNTVNJRMHQH-VXGBXAGGSA-N 321.381 -0.280 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@H](O)CNc1nc[nH]c2ncnc1-2 1105806408 WNCXTQPNCVHLSZ-LKFCYVNXSA-N 320.353 -0.479 30 20 DBED CCn1cc(C(=O)NC[C@@H](O)CNc2nccnc2C#N)nn1 1105954072 OCXKWQUQHKZTSD-VIFPVBQESA-N 316.325 -0.838 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H](O)CNC(=O)[C@@H]1[C@H]2COC[C@H]21 1106062101 CCNNOPVELQWNFR-NMKXLXIOSA-N 302.334 -0.843 30 20 DBED CCC[C@H](OCC)C(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1 1106064148 OVJYUYCFMNFDDI-NEPJUHHUSA-N 321.381 -0.136 30 20 DBED C[C@@H]1CN(C(=O)Cc2nc3ncccn3n2)C[C@H]1CNCC#N 1106983251 WZKRYOYQXOPZJK-VXGBXAGGSA-N 313.365 -0.126 30 20 DBED Cn1cc(CC(=O)NC/C=C/CN=c2cc[nH]c(C#N)n2)cn1 1107076822 IRFGRWXGURGYSL-NSCUHMNNSA-N 311.349 -0.169 30 20 DBED Cc1cc(=NC[C@@H](C)NC(=O)[C@H]2COC(=O)N2)c(C#N)c[nH]1 1107703581 FQECMQQBTFEEDW-BXKDBHETSA-N 303.322 -0.291 30 20 DBED CCc1nc(C#N)cc(NC[C@@H](C)NC(=O)[C@@H]2COC(=O)N2)n1 1107704640 SUPQFWZUQNUEFV-SCZZXKLOSA-N 318.337 -0.064 30 20 DBED CC1(C)C[C@@H]1C(=O)NC[C@@]1(C)CN(CC(=O)NCC#N)CCO1 1107874151 KVNYGFKJAUHECC-WBMJQRKESA-N 322.409 -0.121 30 20 DBED Cn1ccc(=O)c(C(=O)NC[C@]2(C)CN(CC#N)CCO2)c1 1108064590 KEZPLKBNIXJNGB-OAHLLOKOSA-N 304.350 -0.270 30 20 DBED C[C@H](CNc1ncccc1C#N)NC(=O)C[C@@H]1NC(=O)NC1=O 1108194217 NMYRCTUOIKFCGG-SCZZXKLOSA-N 316.321 -0.532 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@]1(F)CCOC1 1109639153 QRCWOEIWCZXJNS-DVZHBHJUSA-N 323.368 -0.414 30 20 DBED CCNC(=O)CC(=O)N[C@@H]1[C@H]2C[C@H]1N(c1nccnc1C#N)C2 1109704141 MSEAUCQLPROFIC-DRCTWCGVSA-N 314.349 -0.432 30 20 DBED COCc1cc(N2CC[C@](O)(CNC(=O)[C@@H](C)C#N)C2)ncn1 1111042683 ZETROHIEPBTGFS-NHYWBVRUSA-N 319.365 -0.160 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1ccncn1 1111166672 FFZGMUGKVYYNLW-BNOWGMLFSA-N 313.361 -0.439 30 20 DBED C[C@H](NC(N)=O)C(=O)N(CCO)CCNc1ccc(C#N)cn1 1111469146 INIATEHGDSZSBY-JTQLQIEISA-N 320.353 -0.757 30 20 DBED N#Cc1cnc(NC2(CNC(=O)CCNC(N)=O)CCC2)cn1 1111808233 FZISZSAZXDUZRD-UHFFFAOYSA-N 317.353 -0.143 30 20 DBED Cc1nc(N2CCC(CO)(NC(=O)C(N)=O)CC2)ccc1C#N 1112673644 XAYYSEOJPZOOKY-UHFFFAOYSA-N 317.349 -0.806 30 20 DBED C=CCCCN1CCN(C(=O)[C@@H](CCC(N)=O)NC(C)=O)CC1 1113435457 ISYTWRIDKJHJSZ-CQSZACIVSA-N 324.425 -0.133 30 20 DBED C[C@H](CNC(=O)[C@H]1CCNC(=O)C1)N(C)c1ccc(C#N)nn1 1113575489 WFDQGUFRKBNAPT-MNOVXSKESA-N 316.365 -0.185 30 20 DBED C[C@@H](CNC(=O)c1cc(=O)n(C)o1)N(C)c1ccc(C#N)nn1 1113579907 XPPRMYVTZSYVNS-VIFPVBQESA-N 316.321 -0.105 30 20 DBED C[C@H](C(=O)N(C)C)N1C[C@H]2C(NC(=O)CSCC#N)[C@@H]2C1 1113899820 VATZGILEQNBUGI-GMTAPVOTSA-N 310.423 -0.234 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)c3cnsn3)[C@H]2C1 1113926252 XSGYLGBGCMYBTE-SVDPJWKOSA-N 319.390 -0.664 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H]1[C@@H]2CN(Cc3cnn(C)n3)C[C@@H]21 1114270682 JHJWKESJRSNAFP-SCUASFONSA-N 303.366 -0.600 30 20 DBED C=CCOCCN1C[C@H]2C(NC(=O)C[C@@H]3CCNC3=O)[C@@H]2C1 1114398420 DSVQZMGPZVCMRH-YNEHKIRRSA-N 307.394 -0.238 30 20 DBED CNC(=O)CC(=O)NCC1[C@@H]2CN(c3cnc(C#N)cn3)C[C@@H]12 1114529741 DHQYISJYLLVDOR-RYUDHWBXSA-N 314.349 -0.717 30 20 DBED C[C@@H](CCCN=c1cc[nH]c(C#N)n1)NC(=O)[C@@H]1COCCO1 1114865756 CDTDHPDOTHDKGD-RYUDHWBXSA-N 319.365 -0.118 30 20 DBED CC1(O)CCC(NC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)CC1 1119788455 LUFOVNLGEUZKOV-KWCHVYNWSA-N 309.366 -0.327 30 20 DBED C=CCCCn1nnnc1N1CCC(C(=O)NCCO)CC1 1120183975 FHLJNVHHHAOMMU-UHFFFAOYSA-N 308.386 -0.036 30 20 DBED CN1CCO[C@H](C(=O)NC[C@@H](CO)Nc2ccc(C#N)nc2)C1 1121251729 VHDCFSOFBXEAAV-KBPBESRZSA-N 319.365 -0.827 30 20 DBED CC(C)N(C)CC(=O)NC[C@H](CO)Nc1cncc(C#N)n1 1121670120 ROMJOTCWHMHYIA-GFCCVEGCSA-N 306.370 -0.423 30 20 DBED N#Cc1cnc(N[C@H](CO)CNC(=O)Cn2ccnc2)c(F)c1 1121718898 SBZFFYZFNKIKMU-NSHDSACASA-N 318.312 -0.122 30 20 DBED CCn1cc(C(=O)NC[C@@H](CO)Nc2ccc(C#N)nn2)nn1 1121926810 FTTNUULLVZAXTB-JTQLQIEISA-N 316.325 -0.838 30 20 DBED Cc1conc1C(=O)NC[C@H](CO)Nc1cncc(C#N)n1 1121976756 HIVDMBRCCNCDRN-SNVBAGLBSA-N 302.294 -0.153 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H](CO)Nc1cc(COC)ncn1 1122037130 UGFVKZJWOSOPTC-WCQYABFASA-N 322.365 -0.450 30 20 DBED C#CCOCCN(C)C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 1124132677 WYCXQMIWUHLVSY-UHFFFAOYSA-N 323.374 -0.408 30 20 DBED CN(C[C@H](O)CNc1cncc(C#N)n1)C(=O)c1cocn1 1124206507 ACEOSLXBIJUBLW-SNVBAGLBSA-N 302.294 -0.119 30 20 DBED C=CCOCC(=O)NCCNCc1nc(-c2ccncn2)no1 1124767859 MGPOGVURDROOMY-UHFFFAOYSA-N 318.337 -0.065 30 20 DBED COCCN(CCNC(=O)c1cc[nH]n1)c1nccnc1C#N 1126224191 KHQDNIAAFNYCNM-UHFFFAOYSA-N 315.337 -0.046 30 20 DBED C=CCOCC(=O)N[C@@H]1CCc2nnc(CNCC#N)n2CC1 1127959310 YXRAKFCKAXIPOT-GFCCVEGCSA-N 318.381 -0.085 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)C[C@H]2CCC(=O)NC2)C1=O 1129256805 UTRUSMQDLDIGKG-OLZOCXBDSA-N 322.409 -0.605 30 20 DBED COCC#CCNCCNC(=O)[C@@H](Cn1cccn1)N(C)C 1129385375 DLVAJLAQAKUVOP-CQSZACIVSA-N 307.398 -0.831 30 20 DBED CC#CCN[C@@H]1CN(C(=O)CC(=O)NC)C[C@H]1c1cn(C)cn1 1130573985 JIZYWIJIHKYMPT-GXTWGEPZSA-N 317.393 -0.537 30 20 DBED Cn1nnc(C(=O)NCCNCc2ccc(F)c(C#N)c2)n1 1132523337 DLAVSTFUPZZHLL-UHFFFAOYSA-N 303.301 -0.260 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)c1cnccn1 1133548761 AHSCREMBYVXMKU-NWDGAFQWSA-N 303.366 -0.288 30 20 DBED C[C@H](C[C@@H](C)NC(=O)c1cc[n+]([O-])cc1)NCC(=O)NCC#N 1133636976 QBTYMHOAEIYGGP-VXGBXAGGSA-N 319.365 -0.554 30 20 DBED COc1cc(C(=O)N[C@H](C)C[C@@H](C)NCC(=O)NCC#N)on1 1134135058 RIXAZVVLYSUXMD-NXEZZACHSA-N 323.353 -0.191 30 20 DBED N#CCNC(=O)CNCCNC(=O)[C@@H]1Cc2cc(F)ccc2O1 1134581597 GYRQWPYHUULDQF-ZDUSSCGKSA-N 320.324 -0.525 30 20 DBED C[C@@H](C[C@H](C)NC(=O)CN1CCCCS1(=O)=O)NCC#N 1135009705 ZWHGSUMOZCPFGJ-RYUDHWBXSA-N 316.427 -0.192 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)[C@@H]2CCCN2C(C)=O)C1=O 1148436799 BLVIWWQYYAXVNR-KBPBESRZSA-N 322.409 -0.510 30 20 DBED C=CCCN1CCC2(C1)CN(C(=O)CS(=O)(=O)N(C)C)C2 1148690575 KSQIYQXHKMSLDC-UHFFFAOYSA-N 315.439 -0.012 30 20 DBED C=CCOCCN1CCCO[C@H](CNC(=O)Cn2nccn2)C1 1149797080 RDHPBOZVMBEGMD-CQSZACIVSA-N 323.397 -0.312 30 20 DBED C#CCNC(=O)CN1CCCO[C@@H](CNC(=O)CCCF)C1 1150108275 DCXXYJNMMIUNAJ-ZDUSSCGKSA-N 313.373 -0.307 30 20 DBED C#CCN1CCC(CCOC)(NC(=O)CCNC(N)=O)CC1 1151405845 LGJBEAPDLRYOJM-UHFFFAOYSA-N 310.398 -0.335 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)COCCOCC 1152542952 YIKSADYMQJYKGQ-LBPRGKRZSA-N 301.387 -0.564 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@H](C)N(CC)CC(=O)NC(N)=O 1153018602 JRSQJHBFOBLIRT-QMTHXVAHSA-N 314.386 -0.665 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)c1c(C)ncn1C 1153926437 PPXRJIKGIHPKJT-GFCCVEGCSA-N 319.409 -0.082 30 20 DBED C=CCCO[C@H](C)C(=O)NCCCN[C@H]1CCC(=O)NC1=O 1155446520 MCAPCWRMTUAKNI-NEPJUHHUSA-N 311.382 -0.131 30 20 DBED C=CCOCC(=O)NCCCNCCCNS(=O)(=O)CC 1155707107 BKEJGIXTUVKSDU-UHFFFAOYSA-N 321.443 -0.386 30 20 DBED C#CCCN(CC)[C@H](C)CNC(=O)[C@H](CCC(N)=O)NC(C)=O 1155856451 IOZUWKCIWDRMQJ-OCCSQVGLSA-N 324.425 -0.394 30 20 DBED C#CCNC(=O)CN(C)C[C@H]1CCCCN1C(=O)c1cnn[nH]1 1158171761 HFXQABGNBDXRCH-GFCCVEGCSA-N 318.381 -0.519 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)[C@]1(CC)CCNC1=O 1160280421 JCYVEAWGXLHTQR-LRDDRELGSA-N 322.409 -0.864 30 20 DBED COCC1(CNC(=O)c2cn(C)nn2)CCN(CC#N)CC1 1162247013 SBEHPTKHQFITCD-UHFFFAOYSA-N 306.370 -0.203 30 20 DBED C=CCNCC1(CCNC(=O)CCNS(C)(=O)=O)CC1 1165292351 JPPVGSLGXRAJJZ-UHFFFAOYSA-N 303.428 -0.012 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@@H]1CCC[C@@H]2CCCN12 1168030382 NVHZCMTVHCTIBJ-CABCVRRESA-N 320.437 -0.151 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)CCCCC(N)=O)C1=O 1170613426 UHBZCIVOQRVSGF-ZDUSSCGKSA-N 324.425 -0.085 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)[C@@H]1CCCN1C(C)=O 1171643322 ITXUUBUFCUGDPD-JSGCOSHPSA-N 324.425 -0.216 30 20 DBED C=CCO[C@@H](C)C(=O)NCCCNCCN(C)S(C)(=O)=O 1177273563 SHDZUQHKRHNERJ-LBPRGKRZSA-N 321.443 -0.435 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2cnn(CC)n2)C1 1182329251 FGJMPKDFJPEDEX-NWDGAFQWSA-N 318.381 -0.760 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 1183450482 RRUJGYDPXSLINI-ZNMIVQPWSA-N 322.453 -0.099 30 20 DBED C=CCOCC(=O)N1CC[C@H](CNCc2nnnn2C)[C@H](C)C1 1184087170 AFCCHFDDOWAYSD-CHWSQXEVSA-N 322.413 -0.013 30 20 DBED CCN(CCC#N)C(=O)CN1C[C@@H]2CCN(C(=O)COC)[C@@H]2C1 1186605963 XEUGKBKWWGHYNW-UONOGXRCSA-N 322.409 -0.072 30 20 DBED COCC#CCN(C)[C@@H]1CCN(C(=O)CCc2nc[nH]n2)C1 1189575413 UBOSBYLUFAKIBT-CYBMUJFWSA-N 305.382 -0.080 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@H](N(C)Cc2ncnn2C)C1 1190093981 FXQWAVQEDASKHO-OLZOCXBDSA-N 305.382 -0.114 30 20 DBED CN(CC(=O)N1CC[C@@H](N(C)CC(=O)NCC#N)C1)C1CCC1 1190675484 OQIVSZQVJDONIO-CQSZACIVSA-N 321.425 -0.357 30 20 DBED C=CCCN(C)[C@H]1CCN(C(=O)CNC(=O)CNC(C)=O)C1 1190990094 XQPJASJZPOJLIN-ZDUSSCGKSA-N 310.398 -0.653 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2cc(C)no2)C1 1191004701 IYNHVFAOONUCNE-GHMZBOCLSA-N 308.338 -0.940 30 20 DBED C=CCOCCCC(=O)N[C@@H]1CN(CC#CCOC)C[C@H]1O 1192054043 IHQDMCHNTVPVCF-HUUCEWRRSA-N 310.394 -0.220 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)c2cc(OC)no2)C1 1192321363 XVKGHSBDDIUVGD-GHMZBOCLSA-N 311.338 -0.339 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](N(C)CC(=O)NC(N)=O)C1 1192427082 VZDLAPFWYGUHJC-TUAOUCFPSA-N 324.381 -0.695 30 20 DBED Cc1conc1C(=O)N1CC[C@@H](N(C)CC(=O)NCC#N)C1 1193291261 GZIGPRDIJRISFT-LLVKDONJSA-N 305.338 -0.231 30 20 DBED COc1cc(COCC(=O)N[C@@H]2CN(CC#N)C[C@H]2O)ccn1 1194119176 PXSUXUGWHUFTCG-CHWSQXEVSA-N 320.349 -0.708 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCCN(C(=O)CCOCC#C)CC1 1195798578 IUABVJGGAVWWFK-OAHLLOKOSA-N 319.405 -0.302 30 20 DBED CC1(C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@H]2O)CC=CC1 1195841745 DXDCFFCAPFQBPU-VXGBXAGGSA-N 306.366 -0.856 30 20 DBED C=CCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)NS(C)(=O)=O)C1 1196421315 LYQFOUTVKCLGOB-IJLUTSLNSA-N 319.427 -0.948 30 20 DBED C[C@@H](C#N)C(=O)N1CCCO[C@@H](CNCC(=O)NC2CC2)C1 1200114070 ALAOXPUDFSFYAK-AAEUAGOBSA-N 308.382 -0.368 30 20 DBED C[C@@H](C#N)C(=O)N1CCCO[C@H](CNCCNC(=O)C2CC2)C1 1200116502 XKBNXPVEWPIFQH-GXTWGEPZSA-N 322.409 -0.121 30 20 DBED CN1CC[C@H](C(=O)N2CCCO[C@H](CNCC#N)C2)CC1=O 1200824810 SDYCZAVQUBGUKQ-QWHCGFSZSA-N 308.382 -0.415 30 20 DBED N#CCNC[C@@H]1CN(C(=O)c2ccc(C(N)=O)nc2)CCCO1 1202228040 YQWXBZXXIZQWMW-GFCCVEGCSA-N 317.349 -0.475 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)c2n[nH]cc2F)CC1 1202371919 KNVBVWPMBOZINX-UHFFFAOYSA-N 307.329 -0.508 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1C[C@H](NCCCO)C12CCC2 1202782143 FJVDHALKWAOEHF-STQMWFEESA-N 307.394 -0.475 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)c2cc(C)[nH]n2)C1 1207540425 UHZKIDYJQUCRDP-GFCCVEGCSA-N 303.366 -0.338 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCCN(C(=O)COCC=C)C1 1207681042 ZHJSZQFFNSBSNM-KGLIPLIRSA-N 307.394 -0.093 30 20 DBED CC#CCN[C@H]1CCCN(C(=O)CN2CCCS2(=O)=O)C1 1208281957 FLPRPUDHJAJWHW-ZDUSSCGKSA-N 313.423 -0.374 30 20 DBED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)C1(C)CC=CC1 1213372707 QXUGTDOLIXLZTF-CHWSQXEVSA-N 320.393 -0.202 30 20 DBED CCCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1C 1214338739 YPGGYRGZCFCORK-QJPTWQEYSA-N 323.397 -0.182 30 20 DBED C[C@@H]1CN(C(=O)c2cccc(O)n2)C[C@H]1NCC(=O)NCC#N 1214391277 HGKMPUBJHUHYCZ-ZYHUDNBSSA-N 317.349 -0.523 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)C[C@@](C)(O)C=C)C[C@H]1C 1214520880 RFNXZBVPHSCECW-IOASZLSFSA-N 307.394 -0.501 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@]2(F)CCOC2)C[C@H]1C 1215392935 HOYDRRLAYCUECZ-LALPHHSUSA-N 311.357 -0.699 30 20 DBED C=CCCN[C@@H]1CN(C(=O)c2cn(CC(N)=O)nn2)C[C@H]1C 1216844407 BBKKITIKAFPDID-GHMZBOCLSA-N 306.370 -0.610 30 20 DBED C=CCOCC(=O)N[C@@H]1CN([C@@H](C)c2noc(C)n2)C[C@@H]1O 1219364085 XGXXZSJEEMJJRX-WCQGTBRESA-N 310.354 -0.197 30 20 DBED C=CC(C)(C)CC(=O)N[C@@H]1CN([C@@H]2CCC(=O)NC2=O)C[C@@H]1O 1219706595 GIHWCEABUFXBTL-UTUOFQBUSA-N 323.393 -0.445 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2[nH]c(C)cc2C)C1 1219880028 WDNNBVZXLFLJCX-OLZOCXBDSA-N 318.377 -0.844 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)CCCn2ccccc2=O)C1 1220139025 DAMSOXSFSWJTLG-KGLIPLIRSA-N 303.362 -0.577 30 20 DBED CCCOCC(=O)N1C[C@H]2CCN(CC(=O)NCC#N)C[C@H]21 1221415759 ICUNABQEQYMDBT-CHWSQXEVSA-N 308.382 -0.415 30 20 DBED CC(C)(O)CC(=O)N1C[C@H]2CCN(CC(=O)NCC#N)C[C@H]21 1221511121 QSVGVZVIDAUHFR-VXGBXAGGSA-N 308.382 -0.680 30 20 DBED CCO[C@@H](CC)C(=O)N(C)C[C@@H]1CCN1CC(=O)NCC#N 1230958244 NCWKGWQDLBNPKM-STQMWFEESA-N 310.398 -0.026 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@@H]1CN(C)C(=O)c1cocn1 1231199501 ZFVLSSLKUDAYGN-NWDGAFQWSA-N 304.350 -0.041 30 20 DBED CN(C[C@@H]1CCN1CC(=O)NCC#N)C(=O)[C@@H]1CCCN1C 1231253965 DASOGWCKWLTQHF-STQMWFEESA-N 307.398 -0.747 30 20 DBED C#CCCCC(=O)N(C)C[C@H]1CCN1CC(=O)NC(=O)NC 1233966170 JLHVVDYZEWELIP-GFCCVEGCSA-N 308.382 -0.222 30 20 DBED CC(C)(O)CCNC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1261926192 JHRPFNKJUXKTJP-LBPRGKRZSA-N 308.382 -0.538 30 20 DBED N#CCNC(=O)CN(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1319649363 RIQDBGLGBZBIBS-RYUDHWBXSA-N 315.395 -0.706 30 20 DBED O=c1nc(C=NO)ccn1Cc1nnnn1CC1CCOCC1 1321161459 JBTOJCFXYIONEA-UHFFFAOYSA-N 319.325 -0.487 30 20 DBED CN(CCc1ccncc1)C(=O)C(=O)N1CC[C@](O)(CC#N)C1 1326213483 FKFNOLOSTQHDHK-MRXNPFEDSA-N 316.361 -0.040 30 20 DBED C#CCC[C@H](O)CNC(=O)C(=O)Nc1cccc(C(N)=O)n1 1327029907 PJHZCKPNOPNGBB-VIFPVBQESA-N 304.306 -0.991 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)NCc1nnc2n1CCCC2 1327226748 OLCPZRZLNKRFPM-SNVBAGLBSA-N 307.354 -0.452 30 20 DBED C=CCN1C(=O)C(=O)N(C[C@@H]2CCCS(=O)(=O)C2)C1=O 1327854888 LTDFRPKNRRRDPJ-VIFPVBQESA-N 300.336 -0.212 30 20 DBED C#CC[C@H](CO)NC(=O)Cc1c(C)nc2nc(N)nn2c1C 1328635725 CLIMDCFHQNIBOT-SNVBAGLBSA-N 302.338 -0.634 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@H](n2cc(C(=O)O)nn2)C1 1332629707 YJORFZZSNCJPLA-AAEUAGOBSA-N 317.349 -0.153 30 20 DBED CC[C@@H]1CN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)[C@@H](C)CO1 1332675041 HIYNYKABGAKQST-YWPYICTPSA-N 309.366 -0.111 30 20 DBED COCCN1CCC(NC(=O)C(=O)N2CCC[C@@H](C#N)C2)CC1 1333102594 DDKRFUUUMHCFSB-ZDUSSCGKSA-N 322.409 -0.024 30 20 DBED C=CCNC(=O)CNC(=O)C(=O)Nc1cc(C2CC2)n(C)n1 1343520668 NEFCEGDGJNNYKO-UHFFFAOYSA-N 305.338 -0.346 30 20 DBED C=CCCN(C)c1nnnn1CCCN(C)S(C)(=O)=O 1344827651 RHYCXNXUGLBTMD-UHFFFAOYSA-N 302.404 -0.033 30 20 DBED C#Cc1cccc(CNC(=O)C(=O)N[C@@H]2CCS(=O)(=O)C2)c1 1345249290 KADIMTUPIRDQHN-CYBMUJFWSA-N 320.370 -0.413 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N(C)Cc1nc(C)no1 1350309877 RQRHTUZNMIHABE-UHFFFAOYSA-N 308.338 -0.165 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)Nc2c(O)n[nH]c2C)C1=O 1351025802 YAVAJNBIAYMXEA-UHFFFAOYSA-N 307.266 -0.661 30 20 DBED C[C@@H](Cc1cnn(C)c1)NC(=O)Cn1cc(C#N)c(O)nc1=O 1362560409 GURKRJCEYWEISI-VIFPVBQESA-N 316.321 -0.699 30 20 DBED N#Cc1ccc(NCC(=O)N[C@H](CO)CN2CCCC2)nc1 1362789958 PQDRRHMDNHBFHR-ZDUSSCGKSA-N 303.366 -0.062 30 20 DBED N#Cc1ccc(S(=O)(=O)CCN2C[C@@H](CO)[C@@H](O)C2)nc1 1364417206 MMVWGQQYTGJQFT-RYUDHWBXSA-N 311.363 -0.988 30 20 DBED C=C(Cl)CNC[C@@H](O)CNC(=O)c1ncc(OC)cn1 1367601400 JEGFQVPEBKRLOW-SECBINFHSA-N 300.746 -0.082 30 20 DBED CC[C@H](C(=O)NCCN1CCN(C(=O)[C@@H](C)C#N)CC1)N(C)C 1372219961 NLOJHEUMKFZZMC-UONOGXRCSA-N 323.441 -0.253 30 20 DBED COCCN(CCNC(=O)[C@H](C)C#N)C(=O)c1[nH]nnc1C 1384414869 YQZFFKIJWLARTG-SECBINFHSA-N 308.342 -0.522 30 20 DBED CCc1noc(COCC(=O)N[C@@H](C)CNC(=O)[C@H](C)C#N)n1 1387081767 BCUHQCKLTHVCPE-ZJUUUORDSA-N 323.353 -0.071 30 20 DBED CCN(CCNC(=O)[C@H]1COCCO1)C(=O)c1c[nH]c(C#N)c1 1388194214 QWRHASCPGZQHIP-CYBMUJFWSA-N 320.349 -0.120 30 20 DBED CC(=O)N[C@H](C)C(=O)NC[C@@H](O)CNCc1ccc(C#N)cc1 1392351008 NIIPYVIJEGNGCQ-ABAIWWIYSA-N 318.377 -0.350 30 20 DBED CCNC(=O)NC(=O)CN1C[C@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2C1 1393417164 RRWPSBNOIKWPCS-SDDRHHMPSA-N 321.381 -0.618 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)c2cncnc2)C1 1394635391 SMUCZSVNWKEGHD-YGRLFVJLSA-N 303.322 -0.671 30 20 DBED COCC(=O)N(C)CC(=O)NC[C@H](C)N(C)C(=O)[C@H](C)C#N 1395105541 OUAMDANQWGMTFW-MNOVXSKESA-N 312.370 -0.786 30 20 DBED COCCC1(C(=O)N(C)C[C@@H](O)CNC(=O)[C@@H](C)C#N)CC1 1396021312 ZVKYTRMQDIVULT-RYUDHWBXSA-N 311.382 -0.102 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1c(F)cncc1F 1399817973 BNORQWODUFNLMI-JGVFFNPUSA-N 312.276 -0.274 30 20 DBED COCC1(CC(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2O)CC1 1406257819 MLWSKUNHNLJBOX-IJLUTSLNSA-N 309.366 -0.349 30 20 DBED C[C@@H](CNC(=O)CCN1CCOCC1)CNC(=O)[C@H](C)C#N 1416482424 OXJRKHDSUIMOGC-QWHCGFSZSA-N 310.398 -0.263 30 20 DBED Cc1ccc(CCNS(=O)(=O)N2CCO[C@@H](C#N)C2)nc1 1424186637 MOKKHQMSOJOZRA-ZDUSSCGKSA-N 310.379 -0.009 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)COCc2ccnn2C)C1 1428153691 RFAWTJPXNVCKJK-RYUDHWBXSA-N 319.365 -0.187 30 20 DBED C=C(Cl)CN1C[C@@H]2C[C@H]1CN2C(=O)CNS(=O)(=O)CC 1438170179 UUZHDDDTOGJWFC-QWRGUYRKSA-N 321.830 -0.037 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](NC(=O)Cn1cnnn1)C(C)(C)C 1444875986 TVKOAAGHZHHYKT-VHSXEESVSA-N 307.358 -0.520 30 20 DBED CNC(=O)NCCC(=O)N1CCC[C@H](N(C)C(=O)[C@@H](C)C#N)C1 1454976645 AUBMVYRJVHEXEC-RYUDHWBXSA-N 323.397 -0.085 30 20 DBED CSC[C@@H](C)NC(=O)NCCn1cc(C#N)c(O)nc1=O 1477950039 DHVUEDGYKRTJAX-MRVPVSSYSA-N 311.367 -0.129 30 20 DBED C=C(Cl)CNC[C@H](C)NC(=O)C[C@H](NC(C)=O)C(N)=O 1483272472 YOWHYWNRNPGKCO-WPRPVWTQSA-N 304.778 -0.787 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)C[C@H](C)n2ccnc2)C1 1490843210 KDQIOFJVPSXNTP-KBPBESRZSA-N 317.393 -0.226 30 20 DBED CC(C)[C@@H]1C(=O)NCCN1c1cnc(C#N)c(-c2nn[nH]n2)n1 1574089980 GXSKVROOWCUJAM-LLVKDONJSA-N 313.325 -0.511 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N[C@H]2CCCC[C@H]2C(=O)O)CCO1 1574241754 PILUGTKYAHEUNI-MXWKQRLJSA-N 317.367 -0.311 30 20 DBED Cn1cc(C#N)c(NC(=O)c2cccn(CC(=O)O)c2=O)n1 1574449114 IUVJSPFNTKJARH-UHFFFAOYSA-N 301.262 -0.210 30 20 DBED CC#CC[C@H](N)C(=O)N[C@@H](CO)C(=O)OCc1ccccc1 1574973513 WLRUKQBRFCDWPB-KBPBESRZSA-N 304.346 -0.052 30 20 DBED C#CCN(CC#N)S(=O)(=O)c1cnc(C)c(-c2nn[nH]n2)c1 1588350438 WJHDBJRPTVRGSQ-UHFFFAOYSA-N 317.334 -0.282 30 20 DBED C#C[C@H]1COCCN1C(=O)C(=O)NCc1cc(C(=O)O)c(C)o1 1588383977 QYMKAFAVMHJIEP-JTQLQIEISA-N 320.301 -0.237 30 20 DBED C#C[C@H](NC(=O)[C@H]1CCCN(CC(=O)O)C1=O)[C@H]1CCCO1 1588387615 LCTVJMBINOEKQZ-GRYCIOLGSA-N 308.334 -0.393 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N[C@@H]1C[C@H]2C[C@@]2(C(=O)O)C1 1588389985 HPVGIMWBRRSCPC-XSUJLISDSA-N 322.361 -0.100 30 20 DBED C=C(CCC(=O)OC)C(=O)N1CCO[C@](COC)(C(=O)O)C1 1588444427 BNDMWTBRWDEULV-CQSZACIVSA-N 315.322 -0.176 30 20 DBED Cc1n[nH]c(C)c1CC(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[nH]1 1592326002 CVAZUIFSXMEWIQ-UHFFFAOYSA-N 312.297 -0.017 30 20 DBED C[C@@H]1[C@@H](C(=O)O)CCN1C(=O)C(=O)N1CCN(CCC#N)CC1 1594140814 ZLEBUCVZZVVLOU-NEPJUHHUSA-N 322.365 -0.634 30 20 DBED N#CCC1(CS(=O)(=O)N2CCC[C@H](O)[C@@H]2C(=O)O)CC1 1601063515 YBZIGOCBYUPGND-VHSXEESVSA-N 302.352 -0.080 30 20 DBED C#CCN(CC(=O)O)C(=O)c1ccc(S(=O)(=O)NC)cc1 1602692248 HTTVBXBPGMFNEK-UHFFFAOYSA-N 310.331 -0.245 30 20 DBED C=CCCN(C)C(=O)C(=O)N1C[C@@H]2C[C@@H](N)C[C@]2(C(=O)O)C1 1602880568 RGMSHLYKAFNZEC-RWSFTLGLSA-N 309.366 -0.329 30 20 DBED N#CCN1CCC(NC(=O)C(=O)N2CC[C@@H](C(=O)O)C2)CC1 1605585553 FMQAPHFGNCUEET-SNVBAGLBSA-N 308.338 -0.976 30 20 DBED O=C(Cc1cccc(-c2nn[nH]n2)c1)N[C@H]1CCCN(O)C1=O 1606600418 CGRCHFYYJSIOOI-NSHDSACASA-N 316.321 -0.094 30 20 DBED C=CCOC(=O)CNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 1609058756 SEXQVHIUUZPUEN-UHFFFAOYSA-N 323.334 -0.126 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N[C@@H]1CCc2c(nnn2C)C1 1645920581 CIFVWKXGFPFYOY-NXEZZACHSA-N 312.399 -0.259 30 20 DBED CCn1c([C@@H]2C[C@H]2C#N)nnc1N1CCO[C@H](C(=O)NC)C1 1646709514 RHZFWBGJVZNBTG-AXFHLTTASA-N 304.354 -0.124 30 20 DBED Cn1c(=O)[nH]c(N2CCC[C@H]2CN2CCOCC2)c(C#N)c1=O 1650232990 JUZIELVISVQJQV-NSHDSACASA-N 319.365 -0.754 30 20 DBED C=CCNC(=O)[C@H](C)N1CC[C@@H](NC(=O)c2nonc2C)C1 1713986865 NDMWIWRHFZISEF-WDEREUQCSA-N 307.354 -0.127 30 20 DBED CC#CCNC[C@H]1CCCN1C(=O)CS(=O)(=O)CCOC 1732327606 MCOWGABVWDTOQA-CYBMUJFWSA-N 316.423 -0.349 30 20 DBED CNC(=O)NCC(=O)N[C@@H]1CC12CCN(CC#CCOC)CC2 1752424907 ABBZVKTZIINOFN-CYBMUJFWSA-N 322.409 -0.464 30 20 DBED C#CCN(C)C[C@H]1CCCN(C(=O)CS(=O)(=O)N(C)C)C1 1752526712 GNZJFKIIVLFMNO-CYBMUJFWSA-N 315.439 -0.319 30 20 DBED C#CCNC(=O)[C@H](C)N(C)CCNC(=O)c1cnn2c1CCC2 1753053815 VBLGCJTZZHAVHQ-LBPRGKRZSA-N 317.393 -0.371 30 20 DBED CCCN(C(=O)CCNC(=O)COC)[C@@H]1CCN(CC#N)C1 1753317680 TYLRHCWRWABWFO-CYBMUJFWSA-N 310.398 -0.024 30 20 DBED C#CCN(C)CC1CCN(C(=O)CN2CC(=O)N(C)C2=O)CC1 1753367512 MHWKKXAFERYGDL-UHFFFAOYSA-N 320.393 -0.316 30 20 DBED C[C@H](CNCCCS(=O)(=O)N(C)C)NC(=O)C#CC1CC1 1754226664 WJAPVBJUBVOSRG-GFCCVEGCSA-N 315.439 -0.224 30 20 DBED C#CCNC(=O)[C@H](C)N(C)C[C@@H](C)NC(=O)c1cnns1 1754301921 XSPUVWJVJOFWQM-ZJUUUORDSA-N 309.395 -0.274 30 20 DBED C#CCNC[C@@H]1CCCC[C@H]1NC(=O)Cn1nc(C)n(C)c1=O 1754351131 KSVLNKMPSKZVDR-UONOGXRCSA-N 319.409 -0.212 30 20 DBED C=CCOCC(=O)NC[C@@]1(O)CCN([C@H](C)c2nncn2C)C1 1754745561 CKIPSSUIFHXRJD-DOMZBBRYSA-N 323.397 -0.368 30 20 DBED C=CCNC(=O)CN1CC[C@@](O)(CNC(=O)c2cncs2)C1 1754746342 RGHNJYIVHQPAHC-CQSZACIVSA-N 324.406 -0.388 30 20 DBED CCCN(C)CC(=O)N1C[C@H](C)[C@H](CNCC(=O)NCC#N)C1 1754825492 LBZMKPOPQQZRKN-UONOGXRCSA-N 323.441 -0.348 30 20 DBED C#CCNCCN(CCO)C(=O)[C@H]1CCCCN1C(=O)CC 1754884707 PXLVCVDORDKXJO-CQSZACIVSA-N 309.410 -0.179 30 20 DBED C=C(C)CCNC[C@H]1CN(C(=O)Cn2ncn(C)c2=O)CCO1 1755005821 UGTRCVSEIHJXSZ-ZDUSSCGKSA-N 323.397 -0.635 30 20 DBED C#CCN1CCN([C@@H]2CCN(C(=O)CN(C)C(C)=O)C2)CC1 1755018085 UATJVUGPBUWJMJ-OAHLLOKOSA-N 306.410 -0.684 30 20 DBED C=CCNC(=O)CN[C@H]1CN(C(=O)CN2CCCC2)C[C@@H]1C 1755122590 SQFQIVYUMCQQJG-KBPBESRZSA-N 308.426 -0.179 30 20 DBED CC#CCN(C)[C@@H](C)CNC(=O)C[C@@]1(C)CCS(=O)(=O)N1 1755324563 NQDQAOHEZCMXKQ-GXTWGEPZSA-N 315.439 -0.082 30 20 DBED C#CCNC[C@@H](CCCC)NC(=O)CN1CCCS1(=O)=O 1755358519 PDQORDQBEHPNEU-CYBMUJFWSA-N 315.439 -0.080 30 20 DBED COC[C@@H](O)CN1C[C@H]2C(CNC(=O)CSCC#N)[C@@H]2C1 1755417752 JQFYRNUGQHKEHI-DRZSPHRISA-N 313.423 -0.456 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H](CO)CNC(=O)c1cccs1 1755621410 NOBKNBWWHSLHSV-WDEREUQCSA-N 309.391 -0.434 30 20 DBED C#CCNC(=O)CN[C@H](CO)CNC(=O)C[C@H]1C=CCCC1 1755632887 ZFIWKSONICTWLS-KBPBESRZSA-N 307.394 -0.451 30 20 DBED N#Cc1ccc(CN[C@H](CO)CNC(=O)[C@H]2CCNC2=O)s1 1755634443 MENFXFHQKOLTRA-CABZTGNLSA-N 322.390 -0.677 30 20 DBED CC#CCN[C@H](CO)CNC(=O)[C@@H]1CCc2nnc(C)n2C1 1755646712 BVMPXGHRYXDHRU-OLZOCXBDSA-N 305.382 -0.761 30 20 DBED C=CCNC(=O)CN[C@@H]1C[C@@H](C)N(C(=O)CN2CCCC2)C1 1755695330 YKRMOTXKGLERHW-ZIAGYGMSSA-N 308.426 -0.037 30 20 DBED C#CCN1CCC[C@H](NC(=O)CN(C)S(=O)(=O)CC)[C@H]1C 1755722984 UIJKBLCHAFOQOS-OLZOCXBDSA-N 315.439 -0.130 30 20 DBED C#CCCN(CCNC(=O)[C@@H]1CCNC(=O)CC1)CCOC 1755838901 BSIKYIBRQTZLEX-AWEZNQCLSA-N 309.410 -0.009 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@H](C)N(C)C(=O)CN(C)C(C)=O 1756019481 AFFULHVILCZFBR-NHYWBVRUSA-N 313.398 -0.245 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H](CO)CNC(=O)c1ncccn1 1756545192 MXODDACOFPCGOW-QMTHXVAHSA-N 308.338 -0.989 30 20 DBED C#CCCCCC(=O)N(C)C[C@H](O)CNC(=O)c1cnn[nH]1 1756659686 RMYUNGDBMVHPAO-LLVKDONJSA-N 307.354 -0.453 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](N)[C@H](C)CC)CCO2 1783049789 SNSIBXQHLVBTDO-XPKDYRNWSA-N 307.394 -0.177 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)n1ccnn1)CCO2 1783054600 IMGDONOMPDHHRQ-IUODEOHRSA-N 317.349 -0.698 30 20 DBED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)C3CC3)C2)C1 1784910480 XMQULWTYIOVYSW-HNNXBMFYSA-N 306.318 -0.686 30 20 DBED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccnnc3)C[C@@H]21 1790790776 FJMKZEIKEABRNH-IHRRRGAJSA-N 314.345 -0.297 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)[C@@H](O)C=C 1797710751 WMCDIPRBWRFGJQ-XFMPKHEZSA-N 320.389 -0.218 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cc[nH]n1)C2 1800455481 CIDUEUBIRYRHKP-QHBPRCKVSA-N 302.334 -0.825 30 20 DBED CS(=O)(=O)NCCNS(=O)(=O)c1cccc(C#N)c1 35207854 KUEXLEMCFZNJSJ-UHFFFAOYSA-N 303.365 -0.614 30 20 DBED COC(=O)CN(CC(=O)OC)CC(=O)N(CCC#N)CCC#N 66236080 GBJIBRAMHOHYSN-UHFFFAOYSA-N 324.337 -0.710 30 20 DBED C#CC[C@H](NC(=O)C1CCN(S(=O)(=O)CC)CC1)C(=O)O 149902633 RBILXQVQSQKXBN-NSHDSACASA-N 316.379 -0.359 30 20 DBED N#CCCN(Cc1ccccn1)C(=O)c1cn(CC(N)=O)nn1 173063705 RLNKBMYUBOFPCJ-UHFFFAOYSA-N 313.321 -0.286 30 20 DBED Cc1cc(C#N)ccc1S(=O)(=O)N[C@H]1CC(=O)N(C)C1=O 234327615 WMCZJOJHVSSBAK-JTQLQIEISA-N 307.331 -0.098 30 20 DBED N/C(=N/CC(=O)NCC1CC1)N1CCN(c2ncccn2)CC1 262315806 PCVVQRAEIVVRPG-UHFFFAOYSA-N 317.397 -0.561 30 20 DBED N#CCOc1ccc(CN2CCN3C(=O)C(=O)NC[C@@H]3C2)cc1 268975206 BPXKEAUKQGBYKH-CYBMUJFWSA-N 314.345 -0.268 30 20 DBED C=CCCOCCNC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 270186858 HGTYBGQOWSQORW-RFHZTLPTSA-N 322.361 -0.142 30 20 DBED COC(=O)[C@@H]1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)C[C@@H]1C 276924967 PBCXKTOEXQLOQX-VHSXEESVSA-N 320.349 -0.409 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H](CCN)C2)C1=O 281952869 MEGBYGAPJSVOGS-LLVKDONJSA-N 322.365 -0.449 30 20 DBED CN1C(=O)C[C@@H](NS(=O)(=O)c2ccc(C#N)c(F)c2)C1=O 292161541 CVECQZPKUYGIAO-SNVBAGLBSA-N 311.294 -0.267 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@H]2CC[C@@H](C(=O)O)C2)CC1 323497417 CCOMDZUGNCEFHQ-QWHCGFSZSA-N 323.393 -0.066 30 20 DBED O/C(=N/CC1(N2CCOCC2)CC1)N1C[C@H]2COC[C@@H](C1)O2 328741628 NNAJGQPTFMMIKN-BETUJISGSA-N 311.382 -0.135 30 20 DBED COCCn1ccc(N/C(O)=N/C[C@@H]2CN(C)CCN2C)n1 329403122 ZPEQVSCWPUOROD-GFCCVEGCSA-N 310.402 0.101 30 20 DBED CN(/C(O)=N/CC1(C)COC1)[C@@H]1CCN(S(C)(=O)=O)C1 330194432 OTAUPLCIKMTDTK-SNVBAGLBSA-N 305.400 -0.097 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCN(CCCO)CC1 330368911 AVHFUEOLZQHUJB-ZDUSSCGKSA-N 318.443 -0.287 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@@H]1CCCC[C@@H]1O 330401734 UXQUCPSVWJHESC-NEPJUHHUSA-N 305.400 -0.014 30 20 DBED CNC(=O)c1ccc(/C(O)=N/C[C@@H]2CN(C)CCN2C)cn1 330704667 RHILDRFCMSZIBC-GFCCVEGCSA-N 305.382 -0.008 30 20 DBED CCNC(=O)CN1CCN(/C(O)=N/[C@H](C)C[S@@](C)=O)CC1 330856687 TYJUXEAFSKWKFF-WSVYEEACSA-N 318.443 -0.579 30 20 DBED CC1(C)C[C@]1(C#N)NC(=O)C1CCN(S(N)(=O)=O)CC1 331910552 CYTGTWGOVNXHST-GFCCVEGCSA-N 300.384 -0.290 30 20 DBED C[C@@H]1CCC[C@H]1NS(=O)(=O)CCCS(=O)(=O)NCC#N 349611860 IBFDWDFIFPEMCR-GHMZBOCLSA-N 323.440 -0.073 30 20 DBED C=CCN(CC=C)C(=O)[C@H](C)N1CCN2C(=O)NC(=O)[C@@H]2C1 352780080 ROMZSIROAIMCQQ-RYUDHWBXSA-N 306.366 -0.189 30 20 DBED C=C(C)COCCNC(=O)C(=O)Nc1ccn(CCC#N)n1 355471950 KNYJSIMLFIYODA-UHFFFAOYSA-N 305.338 0.444 30 20 DBED CN(C(=O)C(=O)Nc1ccc(C#N)cc1F)[C@H]1COC[C@@H]1O 356918611 OSIZYCOMSYZMHR-RYUDHWBXSA-N 307.281 -0.146 30 20 DBED CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)NCC(=O)NCC#N)CC2 358282942 XJNLYBOZXMGDAH-VXGBXAGGSA-N 324.381 -0.412 30 20 DBED CN(CC1CC1)C[C@@H]1CCN(C(=O)NCC(=O)NCC#N)C1 358319150 YHPUVCQCHMLQCM-ZDUSSCGKSA-N 307.398 -0.001 30 20 DBED C=C[C@H](CO)NC(=O)N[C@@H]1CC(=O)N(C)[C@@H]1c1cnn(C)c1C 359059753 UDHXACWOGYSUAP-MPKXVKKWSA-N 321.381 -0.154 30 20 DBED C=CCOC[C@H](NC(=O)[C@@H](C)CS(C)(=O)=O)C(=O)OC 360739824 TWRWHYWYVFLVQI-UWVGGRQHSA-N 307.368 -0.473 30 20 DBED Cc1ccc(C#N)cc1NC(=O)C(=O)N1C[C@@H](O)C[C@@H]1CO 372658424 VHKKYIMBLHTEII-NEPJUHHUSA-N 303.318 -0.241 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)N[C@@H](CN)C2CCCCC2)CCO1 419969003 RBHQGZCIAHHOSZ-STQMWFEESA-N 308.382 -0.239 30 20 DBED C=CCN(C(=O)[C@@H]1NC(=O)O[C@@H]1C)[C@H]1CCS(=O)(=O)C1 496130355 SPJYLBQNYIBKNK-KXUCPTDWSA-N 302.352 -0.315 30 20 DBED N#Cc1ccc(S(=O)(=O)N[C@H](CC(N)=O)C(=O)O)c(F)c1 548199535 SGEPTTCSDGBNHR-MRVPVSSYSA-N 315.282 -0.696 30 20 DBED C=CCn1c(CC)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 558663107 MOUJWONIXGRQLG-SNVBAGLBSA-N 304.354 -0.827 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N[C@H](CCCC(=O)O)C(=O)O 565054719 BHRXCSMPTHVOLC-DTWKUNHWSA-N 321.355 -0.237 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCCN1CCCC1=O 565784493 WOLPRJYFKGOKSB-OCCSQVGLSA-N 323.393 -0.178 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N1CCN(c2ncc[nH]2)CC1 572494272 PSIHASJKQXIOBW-LLVKDONJSA-N 306.370 -0.068 30 20 DBED CN1CCC[C@@H](N2CCN(C(=O)NCC(=O)NCC#N)CC2)C1 588746738 XDROJTPBWINMNY-CYBMUJFWSA-N 322.413 -0.952 30 20 DBED Cc1nn(CC(=O)Nc2nc3n(c2C#N)CCS3)c(=O)n1C 593973570 DAZOSLLGUDURJP-UHFFFAOYSA-N 319.350 -0.297 30 20 DBED CC(C)NC(=O)C(=O)N1CCN(c2c(C#N)cnn2C)CC1 596059965 DZWXSZCYNMWDHC-UHFFFAOYSA-N 304.354 -0.535 30 20 DBED N#CC1(CNC(=O)[C@@H]2CCCN(S(N)(=O)=O)C2)CCC1 597785404 ZGRONMGDSRKLNJ-SNVBAGLBSA-N 300.384 -0.288 30 20 DBED N#CCCN1CCN(C(=O)NCCCN2C(=O)CCC2=O)CC1 601570414 GVIDUOPPSOZOCU-UHFFFAOYSA-N 321.381 -0.234 30 20 DBED C[C@H](NC(=O)NC1CCN(CC#N)CC1)[C@@H]1CN(C)CCO1 610899418 OVTPUVKZSFHJCU-JSGCOSHPSA-N 309.414 -0.007 30 20 DBED Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)N[C@@]1(C#N)CC1(C)C 615059373 YGPIWMTVYIZHRV-CYBMUJFWSA-N 324.362 -0.336 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H](OCC)C2)C1=O 623228799 BBWUEYAFNDQAKZ-NSHDSACASA-N 323.349 -0.009 30 20 DBED N#CCNC(=O)COC(=O)Cn1c(=O)nc(O)c2ccccc21 731237962 TYRQBFIARPVERP-UHFFFAOYSA-N 316.273 -0.715 30 20 DBED C#CCNCC(=O)NCc1cccc(OCC(=O)N(C)C)c1 746513994 QTXWQXBHWSGWBO-UHFFFAOYSA-N 303.362 -0.007 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N[C@H](C)[C@@H]1CN(C)CCO1 783010519 FXFXGYAEGGXNDL-NEPJUHHUSA-N 319.427 -0.395 30 20 DBED C=CCS(=O)(=O)CCNC(=O)c1ccc(-n2cnnn2)cc1 783618573 RUCHKRBRGOYXNA-UHFFFAOYSA-N 321.362 -0.007 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(C[C@@H]2COC(C)(C)O2)c1=O 785029215 KSAOUAFWMKDJQL-LLVKDONJSA-N 323.349 -0.305 30 20 DBED C=CCN1CC[C@@H](OC(=O)CCS(=O)(=O)N(C)C)C1=O 798648066 JTJYWWNFUBMKJE-SNVBAGLBSA-N 304.368 -0.402 30 20 DBED C#CCCS(=O)(=O)NC(=O)c1ccc(=O)n(CCOC)c1 810786317 CMFAQHPSOOTXPX-UHFFFAOYSA-N 312.347 -0.422 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)CC[C@@H](C)OC)CC1 831568946 VIFURYMHFZDCMD-GFCCVEGCSA-N 317.411 -0.587 30 20 DBED C#CCN(CC(=O)N[C@@H](CO)COC)C(=O)OC(C)(C)C 834819375 MPHZSDSWOGFSCO-NSHDSACASA-N 300.355 -0.020 30 20 DBED C#CCN(CC#N)C(=O)[C@H](CO)NC(=O)Cc1ccc(F)cc1 846067417 RXLYURAYCVAZND-AWEZNQCLSA-N 317.320 -0.169 30 20 DBED C#CC[C@@H](CO)NC(=O)Cc1ccc(S(=O)(=O)N(C)C)cc1 854540660 AQSBWCXTJCSMMJ-ZDUSSCGKSA-N 324.402 -0.020 30 20 DBED C#Cc1cncc(C(=O)N2CCCC[C@H]2CNS(N)(=O)=O)c1 854839998 MAUVLEXMTKLZGR-ZDUSSCGKSA-N 322.390 -0.149 30 20 DBED C=CCC1(S(=O)(=O)NC(=O)CN2CC(=O)N(C)C2=O)CC1 860772160 QTECYSMUGUYHSZ-UHFFFAOYSA-N 315.351 -0.565 30 20 DBED C[C@H](Nc1c(C#N)c(=O)n(C)c(=O)n1C)[C@@H]1CN(C)CCN1C 895249321 RDGBDWCFLBLJHW-JQWIXIFHSA-N 320.397 -0.998 30 20 DBED C=CC[C@@H]1CCCN(C(=O)C(=O)NCCN2CCNC2=O)C1 898693613 VXHKZDBDFLNPKJ-GFCCVEGCSA-N 308.382 -0.058 30 20 DBED COC[C@H]1COCCN1CC#CCN1CCOC[C@H]1COC 933332738 VVEHSRPNHBRWJI-IYBDPMFKSA-N 312.410 -0.316 30 20 DBED CCn1cc(CC(=O)N[C@H]2CCN(C(=O)C#CC3CC3)C2)nn1 938429284 AZKUOYFXNJTXMY-ZDUSSCGKSA-N 315.377 -0.029 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@@H](NC(=O)C2CS(=O)(=O)C2)C1 940637621 MKUPAOHIGGTLNY-LLVKDONJSA-N 314.407 -0.040 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCN(Cc2nc(O)n[nH]2)CC1 948825616 JHIIUAZQWFVMOE-LBPRGKRZSA-N 318.381 -0.748 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@@H]2CNC(=O)c2cnnn2C)cn1 949699510 GNKCABSPMIRTAI-CYBMUJFWSA-N 324.344 -0.164 30 20 DBED CCN(C(=O)[C@@H]1CCN(C)S1(=O)=O)C1CN(CC#N)C1 952446881 ZVDPHNKFLROOJB-NSHDSACASA-N 300.384 -0.923 30 20 DBED C[C@H](C#N)C(=O)N1CC(N(C)C(=O)[C@H]2CCN(C)C(=O)C2)C1 954716670 LSHFJFDUDYTPGY-MNOVXSKESA-N 306.366 -0.316 30 20 DBED C[C@@H](C#N)C(=O)N1CC(N(C)C(=O)C[C@H]2CCC(=O)N2C)C1 954950224 VQXXNZBOOUZWTK-WDEREUQCSA-N 306.366 -0.174 30 20 DBED CN(C(=O)C1CCOCC1)[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 958409391 ZAYRUVOWPHQVQN-GJZGRUSLSA-N 320.389 -0.144 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](CNC(=O)c2ccc(=O)n(C)n2)C1 958648946 DXXGMZCXJOGCIF-YPMHNXCESA-N 306.366 -0.621 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2cccc(C(=O)NC)c2)C1 958694189 JEEMHWWVRICAHE-HUUCEWRRSA-N 315.373 -0.298 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2ncccn2)C1 958936986 ZQVKORZYZXISKH-DCAQKATOSA-N 303.322 -0.720 30 20 DBED C=CCN1C[C@H]2[C@H](NC(=O)[C@H]3CCc4nnnn4CC3)[C@H]2C1 961843845 CGMAMOMGFHMGML-CIQGVGRVSA-N 302.382 -0.142 30 20 DBED C=CCCN1C[C@H]2C(NC(=O)CN3CCC(=O)NC3=O)[C@@H]2C1 962231030 WGAXLJSLGKOXJA-GHMZBOCLSA-N 306.366 -0.449 30 20 DBED C=CCCN1C[C@H]2C(NC(=O)c3cc(=O)n4[nH]cnc4n3)[C@@H]2C1 962291249 WSCQTBZZMDBYDH-NXEZZACHSA-N 314.349 -0.346 30 20 DBED Cc1c(C(=O)NC[C@@H]2COCCN2C(=O)[C@@H](C)C#N)nnn1C 964129904 PRLJYIVXLHCVDH-GXSJLCMTSA-N 320.353 -0.760 30 20 DBED Cc1c[nH]nc1C(=O)NC[C@@H]1COCCN1C(=O)[C@@H](C)C#N 964198449 YFCJTZYVJZVJMS-GXSJLCMTSA-N 305.338 -0.165 30 20 DBED N#Cc1ccc(C(=O)N2CCC3(CC2)C[C@@H]3NC(=O)C(N)=O)[nH]1 965040098 POBIUEJUJCUJKU-NSHDSACASA-N 315.333 -0.517 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC2(C[C@H](NC(=O)CC)CO2)C1 965586118 RJWZIJFPDNSBLD-KBPBESRZSA-N 319.405 -0.020 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)Cc2cncs2)C1 966726562 DTADCHFSFLYMLE-IEBDPFPHSA-N 308.363 -0.467 30 20 DBED C=CCn1cc(C(=O)N(CC)C2CN(C(=O)CC(N)=O)C2)nn1 967968076 GSKMTKOGMPXVTI-UHFFFAOYSA-N 320.353 -0.988 30 20 DBED CO[C@H]1C[C@H](C(=O)N[C@@H](C)C2CN(CC#N)C2)N(C(C)=O)C1 970217278 OLZCXUPVWRNSMK-LEWSCRJBSA-N 308.382 -0.418 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@@H](NCc3nnnn3C)C2)nc1 970518805 YEZLYNWBBHUKQB-GFCCVEGCSA-N 311.349 -0.409 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](N(C)CC(=O)N2CCOCC2)C1 971222529 ZAKSJOWLRILYMT-STQMWFEESA-N 308.382 -0.462 30 20 DBED C=C(C)CN1CCO[C@@]2(CCN(C(=O)Cn3cnnc3O)C2)C1 972348979 TTWDVPHHRSNGML-HNNXBMFYSA-N 321.381 -0.137 30 20 DBED CC[C@@]1(C(=O)N2CC[C@@]3(CN(CC#N)CCO3)C2)CCNC1=O 972420757 BRPBMNSBQYCNCT-HZPDHXFCSA-N 320.393 -0.270 30 20 DBED C=CCN(C)[C@H]1CCN(C(=O)Cn2ncn3nccc3c2=O)C1 972470887 ANOLHKULEJVHGS-LBPRGKRZSA-N 316.365 -0.390 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)[C@]3(C)CCNC3=O)C2)C1 972549654 PNBFTWVGQSNMJS-HZPDHXFCSA-N 305.378 -0.551 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2cn(C)nn2)C1 973235690 PNVHIJPWJVKCOZ-UZWSLXQKSA-N 319.365 -0.217 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)CCn3ccnn3)C[C@H]21 974974910 NYLZHGKRHKSCCF-JHJVBQTASA-N 316.365 -0.113 30 20 DBED N#Cc1ccc(C(=O)N2C[C@H]3[C@H](NC(=O)c4cnn[nH]4)[C@H]3C2)[nH]1 976800427 NWJPLEGBXLCIAP-GDGBQDQQSA-N 311.305 -0.495 30 20 DBED C=C(C)CN(C)[C@@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 980482859 CPWMQRMIEYQMHF-LLVKDONJSA-N 306.370 -0.514 30 20 DBED CC#CCN1CCCN(C(=O)c2cnc(O)n(C)c2=O)CC1 981739410 KHLUEVHLRUWQLG-UHFFFAOYSA-N 304.350 -0.343 30 20 DBED Cc1cc(C)n(CC(=O)N2CC[C@@H](NCC#N)[C@@H]2C)c(=O)n1 987270189 VBSJWOQKKADOFT-QWHCGFSZSA-N 303.366 -0.037 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCN(C(=O)CCC)C[C@@H]2O)nn1 991483884 FPEASLXOGQOLDE-YPMHNXCESA-N 321.381 -0.044 30 20 DBED COCC(=O)N1C[C@H]2C[C@@H]3CN(C(=O)[C@@H](C)C#N)C[C@@]3(C1)O2 1001672603 OAAQLWVEQYKWDF-FUTJPDQTSA-N 307.350 -0.379 30 20 DBED C=CC(C)(C)C(=O)N1CC([C@@H](C)NC(=O)[C@@H]2CNC(=O)N2)C1 1006740820 KVJDJGNDUAAGPG-KOLCDFICSA-N 308.382 -0.157 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCCN([C@H]3CCNC3=O)C2)nn1 1008791969 CKOYJDAJISMCGV-YPMHNXCESA-N 318.381 -0.453 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C(=O)C[C@@H]2CCCC(=O)N2)CC1 1011743219 WMYHAIYGSQZNSF-RYUDHWBXSA-N 306.366 -0.124 30 20 DBED C#Cc1ccc(C(=O)N2C[C@@H]3C(NC(=O)c4cnon4)[C@H]3C2)cn1 1013634398 HPESZMWVTZJJCH-RYUDHWBXSA-N 323.312 -0.054 30 20 DBED C#Cc1cncc(C(=O)N[C@H]2C[C@H](C)N(C(=O)C(N)=O)C2)c1 1013977832 WYOPDSSBBSEEGL-CABZTGNLSA-N 300.318 -0.733 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2CC[C@H](NC(=O)C(N)=O)C2)nc1 1015549422 GCBVZMIWLUHLFI-NEPJUHHUSA-N 314.345 -0.437 30 20 DBED C=CCN1CC[C@H](N[C@H]2CCN(C(=O)c3nonc3C)C2)C1=O 1019873702 WVTBSXOTFFEUQS-RYUDHWBXSA-N 319.365 -0.031 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H](N(C)CC(=O)N2CCOCC2)C1 1027335240 DSNHQJCVFHTLJT-KBPBESRZSA-N 322.409 -0.072 30 20 DBED CN1CCCC[C@H](C(=O)NC[C@H]2CN(CC#N)CCO2)C1=O 1035573759 MLMCSUXGAGBLCI-QWHCGFSZSA-N 308.382 -0.415 30 20 DBED CO[C@@H](C(=O)NC[C@]1(O)CCN(C(=O)C#CC2CC2)C1)C1CC1 1039595933 HIXVKVFYCCSRNN-NVXWUHKLSA-N 320.389 -0.096 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@](O)(CNC(=O)CCCF)C1 1040566617 CJLOPHRCFYVNDD-DOMZBBRYSA-N 314.357 -0.146 30 20 DBED C=CCOCC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1040610483 UINNQVGPZAAZCI-TWJWRFFLSA-N 324.377 -0.839 30 20 DBED CC#CCCCC(=O)NC[C@@]1(O)CCN(C(=O)c2cnn[nH]2)C1 1040610989 WOLUCQCAUYKVFB-HNNXBMFYSA-N 319.365 -0.309 30 20 DBED C=CCCCC(=O)NC[C@]1(O)CCN(C(=O)c2cnn(C)n2)C1 1040729027 KIFADSCSVDVFCG-OAHLLOKOSA-N 321.381 -0.135 30 20 DBED CS[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2c[nH]c(C#N)c2)C1 1041620887 ZYNZPBAZOVETIS-VIFPVBQESA-N 322.390 -0.059 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)[C@@H](CCC)OC)C1 1042043926 VVQKLOZFAYJVEG-GFCCVEGCSA-N 314.382 -0.306 30 20 DBED C#CCCN1CC[C@H]2CCN(C(=O)C3CC(=O)NC(=O)C3)C[C@@H]21 1042267077 UQCWCOQVDBKRQK-JSGCOSHPSA-N 317.389 -0.015 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(O)(CNC(=O)c2ocnc2C)C1 1042364717 UAYUATVAKRLCBB-CQSZACIVSA-N 323.349 -0.387 30 20 DBED N#Cc1cnccc1N1C[C@H](O)[C@H](NC(=O)[C@H]2CCOC2)C1 1043863540 BWUCXJDHLHJTEA-SUHUHFCYSA-N 302.334 -0.345 30 20 DBED C=CC(C)(C)CC(=O)N1CC(O)(CNC(=O)[C@@H]2CCC(=O)N2)C1 1044265450 IPNVNEKANDXWBQ-NSHDSACASA-N 323.393 -0.443 30 20 DBED C=C(C)CCC(=O)N1CC(O)(CNC(=O)c2[nH]nnc2C)C1 1044370570 IBHNZXQENBFCTC-UHFFFAOYSA-N 307.354 -0.227 30 20 DBED C#CCN[C@H]1CCN(C(=O)c2cnc(O)n(C)c2=O)[C@@H](C)C1 1044709184 VHISHKKYMSTCMG-QWRGUYRKSA-N 304.350 -0.298 30 20 DBED C=CCCCC(=O)NCC1(O)CN(C(=O)[C@H]2CCNC(=O)C2)C1 1045450745 AVUNYZBXATVCSF-LBPRGKRZSA-N 323.393 -0.442 30 20 DBED N#CCN1CC[C@@H](N2CCN(C(=O)[C@@H]3CCNC(=O)C3)CC2)C1 1046020401 SCGAMTOKRQKUQD-ZIAGYGMSSA-N 319.409 -0.745 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CN3CCC2CC3)C1 1047381595 ODKMJXQBXODVHR-PMPSAXMXSA-N 305.422 -0.145 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3cncn3C2)C1 1047436316 WRSIFHUKEGWXHH-KBMXLJTQSA-N 316.405 -0.028 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2c(OC)ccnc2OC)C1 1047453507 JAMBIYRVYFNXRJ-RYUDHWBXSA-N 319.361 -0.151 30 20 DBED Cc1nc(C)c(CC(=O)N(C)[C@H]2CN(CC#N)C[C@@H]2O)c(O)n1 1047623874 SQYSIYLIVWGVGH-STQMWFEESA-N 319.365 -0.631 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)Cn2c(C)csc2=O)C1 1047624741 XUAJHOJPWORUPE-RYUDHWBXSA-N 311.407 -0.092 30 20 DBED C=C(C)CN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3nncn3C2)C1 1047638732 FZKKNELRAIIKIA-IHRRRGAJSA-N 319.409 -0.080 30 20 DBED CO[C@@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CSCC#N)C1 1048302478 SPNXNHFSDPPHPA-DCAQKATOSA-N 315.395 -0.692 30 20 DBED C#CCC1(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)CC(N)=O)C2)CCC1 1048604910 GVPIEMNDLVBEEI-RYUDHWBXSA-N 321.377 -0.915 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)[C@@H]1CCN(C(=O)C2CC2)C1 1049685988 NLTYQQPKVCFKOS-WCQYABFASA-N 305.378 -0.111 30 20 DBED N#CCN1C[C@@H]2CCCN(C(=O)[C@@H]3CCS(=O)(=O)N3)[C@@H]2C1 1050204906 QOWRTNGLQWAGNB-SDDRHHMPSA-N 312.395 -0.876 30 20 DBED C=CCCN1CCC2(CC1)CN(C(=O)CN1CCNC(=O)C1)C2 1050618966 ZJUYAKOANSOFKW-UHFFFAOYSA-N 320.437 -0.081 30 20 DBED Cn1ncc2c1C[C@H](C(=O)NC[C@@H]1COCCN1CC#N)CC2 1051085383 DZSVUWXBDLYACF-TZMCWYRMSA-N 317.393 -0.134 30 20 DBED CC#CCN1CCOC[C@H]1CNC(=O)[C@@H]1CCCCC(=O)N1 1051109085 COVMBLVYCNIENJ-KGLIPLIRSA-N 307.394 -0.115 30 20 DBED C#CCCN1CCN([C@H]2CCN(C(=O)[C@@H]3COC(=O)N3)C2)CC1 1052019296 XZTOJRGQPAQFKN-KBPBESRZSA-N 320.393 -0.663 30 20 DBED C=CCOCCCC(=O)NC[C@@H]1CN(C(=O)C(N)=O)C[C@@H]1C 1053315726 BOJKSXOFIRFCSE-NWDGAFQWSA-N 311.382 -0.335 30 20 DBED CCc1c(C(=O)N2CCOC3(CN(CC#N)C3)C2)nnn1CC 1053426655 SUJVDXVEFFCBQJ-UHFFFAOYSA-N 318.381 -0.089 30 20 DBED C#CCN1CC2(CC[C@@H](CNC(=O)[C@H]3CN(C)CCO3)O2)C1 1053586934 ZRMPZWFLLXWMCP-UONOGXRCSA-N 307.394 -0.700 30 20 DBED C=C(C)CCN1CC2(C[C@@H](NC(=O)Cn3ncnn3)CO2)C1 1053802915 GUHRNXOGUUQJSX-GFCCVEGCSA-N 306.370 -0.401 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)C[C@H]3CCC(=O)NC3)CO2)C1 1053827536 BXKURPHDGWOCFO-NEPJUHHUSA-N 306.366 -0.614 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@]1(CO)CCCN(C(=O)COC)C1 1055945956 BXKIFGGQRUDGHR-SWLSCSKDSA-N 312.366 -0.859 30 20 DBED N#Cc1cncc(N2C[C@H]3[C@H](NC(=O)[C@@H]4CCC(=O)N4)[C@H]3C2)n1 1056262145 JDQCZOQAOLHVMM-BBGACYKPSA-N 312.333 -0.822 30 20 DBED N#Cc1ccc(N[C@@H]2CCN(C(=O)[C@H]3COCCO3)C2)nn1 1056557089 RBCYKNVZROJQRF-VXGBXAGGSA-N 303.322 -0.224 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H]2CCCN(C(=O)CC)[C@@H]2C1 1056575115 YZSKTBUMSYJAIM-QWHCGFSZSA-N 305.378 -0.015 30 20 DBED C=CC(C)(C)C(=O)NCCN(CCO)C(=O)CCn1cncn1 1056991833 LODZKZDKROOOSW-UHFFFAOYSA-N 323.397 -0.183 30 20 DBED CO[C@H](C)CC(=O)N(CCO)CCNC(=O)c1c[nH]c(C#N)c1 1057163501 SPKJDUSDOGQDDT-LLVKDONJSA-N 322.365 -0.138 30 20 DBED N#Cc1nccnc1N1CCCN(C(=O)Cn2nccn2)CC1 1057185867 DFRRKEQTZUOFEF-UHFFFAOYSA-N 312.337 -0.321 30 20 DBED C#CCCCCC(=O)NCCN(CCO)C(=O)CC(=O)NC 1057413479 XZVSQUOAFKIUPH-UHFFFAOYSA-N 311.382 -0.747 30 20 DBED C=C(C)CCC(=O)N(CCO)CCNC(=O)CCNC(N)=O 1057806628 LSWRMKJYWORUDL-UHFFFAOYSA-N 314.386 -0.662 30 20 DBED Cc1cc(C#N)nc(N2CC[C@@H](NC(=O)[C@@H]3CCC(=O)N3)C2)n1 1058408574 LNILUDPILKMZPV-PWSUYJOCSA-N 314.349 -0.370 30 20 DBED CC1CCN(CC(=O)N(CCO)CCNC(=O)[C@H](C)C#N)CC1 1058540451 FOZIYXWLKJYXHZ-CQSZACIVSA-N 324.425 -0.185 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)c1conc1C 1058649730 VHKBIELBNRSCKJ-UHFFFAOYSA-N 311.338 -0.264 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)CC1OCCCO1 1058652622 BHEBAONEXPZBHO-LLVKDONJSA-N 313.354 -0.764 30 20 DBED N#Cc1nc(=N[C@H]2CCN(C(=O)c3cncnc3O)C2)cc[nH]1 1058991808 WNSANMUSPXEKRW-VIFPVBQESA-N 311.305 -0.408 30 20 DBED C=CCCC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1CCN(C)C1=O 1061402034 QOULHCOXJMPNAK-QWHCGFSZSA-N 323.393 -0.226 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@H]1COCCN1C(=O)C(F)F 1061541539 AALXYAKITWYUNK-ZANVPECISA-N 306.309 -0.078 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1COCCN1C(=O)c1n[nH]cc1F 1061571473 AKFNOBZCCJIDFJ-LLVKDONJSA-N 320.324 -0.081 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H]1CCCCN1C(=O)c1nc[nH]n1 1062304040 WHJJAVPEZXJZMW-NWDGAFQWSA-N 319.365 -0.046 30 20 DBED C=CCCC(=O)N1CCO[C@H](CNC(=O)Cc2nc[nH]n2)C1 1064957809 QLVPADUQMGNUPC-LLVKDONJSA-N 307.354 -0.343 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)[C@H](C)CC(N)=O)CCO1 1065422159 XJWJEXODQLHQQL-CHWSQXEVSA-N 323.393 -0.499 30 20 DBED CCCN(C)CC(=O)NC[C@@H]1CN(C(=O)[C@@H](C)C#N)CCO1 1065557457 RDQXOUVQJMTHOT-QWHCGFSZSA-N 310.398 -0.169 30 20 DBED C=C[C@](C)(CC)C(=O)N1CCO[C@@H](CNC(=O)CC(N)=O)C1 1065578823 TYHQTRDVEUKGPK-XHDPSFHLSA-N 311.382 -0.192 30 20 DBED N#Cc1nccnc1N1CCOC[C@@H]1CNC(=O)c1cn[nH]c1 1066465048 ABRYZSDYAPGFAO-NSHDSACASA-N 313.321 -0.293 30 20 DBED N#Cc1ccc(N2CCOC[C@H]2CNC(=O)c2cnon2)nn1 1066497739 UNBFCPMXOHAAPI-SNVBAGLBSA-N 315.293 -0.634 30 20 DBED C#CCO[C@H](C)C(=O)N1CC2(CN(C(=O)C(F)F)CCO2)C1 1068266515 MBASZNXLQRLETR-SNVBAGLBSA-N 316.304 -0.270 30 20 DBED C=CCCC(=O)N[C@H]1COC2(C1)CN(C(=O)C1(C(N)=O)CC1)C2 1068756807 HVNNIZIEGKJQAX-LLVKDONJSA-N 321.377 -0.296 30 20 DBED Cc1c[nH]nc1C(=O)N1CC2(C[C@H](NC(=O)[C@H](C)C#N)CO2)C1 1069004560 XBNGNXFIVBCQIQ-KOLCDFICSA-N 317.349 -0.023 30 20 DBED C[C@](O)(CC(=O)N1C[C@H](n2ccnn2)[C@H](NCC#N)C1)C1CC1 1070180050 ZWEQKKGHIKSDTM-IPYPFGDCSA-N 318.381 -0.306 30 20 DBED C=CCN[C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1c1cncn1C 1070653301 JLTOQDDDUDQLCY-CHWSQXEVSA-N 315.381 -0.218 30 20 DBED C[C@@H]1CN(C(=O)CCc2cnn[nH]2)C[C@@]2(CCN(CC#N)C2)O1 1071211583 KIHZVMNBHCQVFV-DOMZBBRYSA-N 318.381 -0.047 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1C 1072184421 VZUZKKJLMWSRBY-CHWSQXEVSA-N 303.366 -0.099 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@H](NC(=O)C(N)=O)C(C)(C)C1 1073478898 BKMMHTHAEMTYMZ-QWRGUYRKSA-N 309.366 -0.747 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(C(=O)Cn2nccn2)C[C@H]1C 1073818280 YKZMXHQZOVAYSK-CHWSQXEVSA-N 321.381 -0.166 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)c3ccc(C(N)=O)o3)C[C@@H]21 1074291682 JAUVQEZZMNPPKS-RYUDHWBXSA-N 317.345 -0.073 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)CCc3cn(C)nn3)C[C@@H]21 1074418936 BXHMCNOETMPWCQ-LSDHHAIUSA-N 317.393 -0.317 30 20 DBED C=CCCC(=O)NCC[C@H](C)NC(=O)[C@H]1CCS(=O)(=O)N1 1075885853 QIDNWHJDCGYFSX-WDEREUQCSA-N 317.411 -0.345 30 20 DBED C[C@@H](CCNC(=O)CCn1ncn(C)c1=O)NC(=O)[C@@H](C)C#N 1077465032 FYGMOBKRRVBFGP-QWRGUYRKSA-N 322.369 -0.857 30 20 DBED C=CCOCC(=O)N(CC)C1CN(C(=O)Cn2cnnc2O)C1 1079490529 TXYPWIBJVFKWMM-UHFFFAOYSA-N 323.353 -0.754 30 20 DBED C=CCN1CC[C@H](N2C[C@@H](NC(=O)c3cnon3)[C@H](C)C2)C1=O 1080648438 LOVXVWIDMOONNW-RTXFEEFZSA-N 319.365 -0.093 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2n[nH]cc2C)C[C@@H]1O 1081346588 KAGQXCPSXGIIBM-RYUDHWBXSA-N 322.365 -0.530 30 20 DBED C=CCCCC(=O)N1C[C@H](O)[C@H](CNC(=O)CC(=O)NC)C1 1081432946 FOAQNSQPDPPXAE-NEPJUHHUSA-N 311.382 -0.586 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)Cc2cnoc2)C[C@H]1O 1081438694 FZBWCVJTJXLFMM-UONOGXRCSA-N 319.361 -0.044 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)Cn2cccn2)C[C@@H]1O 1081442414 VBIKXUXHIQZPMD-KBPBESRZSA-N 318.377 -0.378 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(C(=O)c2csnn2)C[C@@H]1O 1081473140 DGFCWUGBKTXEKF-PWSUYJOCSA-N 320.374 -0.499 30 20 DBED C=CC(C)(C)CC(=O)NC[C@H]1CN(C(=O)CC(N)=O)C[C@@H]1O 1081516925 KTBWMDGXEPDHOD-QWRGUYRKSA-N 311.382 -0.600 30 20 DBED C=CC(C)(C)C(=O)NC[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@@H]1O 1081642055 BIADSHMCANZCFN-MNOVXSKESA-N 323.393 -0.600 30 20 DBED C=CCN1C[C@@H](NC(=O)c2ccc3nn[nH]c3n2)[C@H](OC)C1 1081768061 IERQPJMUMIDTHK-VXGBXAGGSA-N 302.338 -0.032 30 20 DBED C#CCN1C[C@@H](NC(=O)c2cn(CCC=C)nn2)[C@H](OC)C1 1082218881 JLTYYQGGLDADKH-TZMCWYRMSA-N 303.366 -0.084 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)C[C@H]1CCCCC(=O)N1 1082345158 YNEFIOVBZHWBHK-JHJVBQTASA-N 308.382 -0.226 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)c2ccnn2CCOC)C1 1083553967 GUKFBVALLUBIKM-OCCSQVGLSA-N 306.366 -0.672 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)c2cccnc2C(N)=O)C1 1084081627 HBFNQZHPOFIHFN-NEPJUHHUSA-N 304.350 -0.469 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1c1cnn(C)c1 1086977611 DMQMECSAIIIJSB-QWHCGFSZSA-N 313.365 -0.620 30 20 DBED CCN(c1cncc(C#N)n1)[C@H](C)CNC(=O)[C@H]1CCNC1=O 1089723042 NAIRRUUQQCKHRI-PWSUYJOCSA-N 316.365 -0.185 30 20 DBED N#Cc1cncc(N2CC=C(CCNC(=O)CC(N)=O)CC2)n1 1089822260 XNEBFLDDOSOZOA-UHFFFAOYSA-N 314.349 -0.134 30 20 DBED C=CCN1CC[C@H](NC(=O)Cc2ccc(C(N)=O)nc2)[C@H](O)C1 1090360161 JPXGYMLXZWRTIG-GXTWGEPZSA-N 318.377 -0.540 30 20 DBED C=CCCC(=O)N[C@@H]1CN(c2ccc3nnnn3n2)C[C@H]1O 1090394666 NYBYHARWEGHBHW-NXEZZACHSA-N 303.326 -0.849 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2cnn3c2OCCC3)[C@@H](O)C1 1090397884 VAJFNMKOZUKRFA-KBPBESRZSA-N 318.377 -0.146 30 20 DBED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C2)s1 1090530111 AQPIPNWVESMZLM-MNOVXSKESA-N 308.363 -0.844 30 20 DBED C#CCN1CC[C@@H](NC(=O)C2CCN(C(C)=O)CC2)[C@H](O)C1 1090797444 ZGRMKAMUHKPOLK-HUUCEWRRSA-N 307.394 -0.571 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCN(c2cc(C)ncn2)C[C@H]1O 1092164749 OLFAYKYUXHIBAV-ZIAGYGMSSA-N 318.377 -0.119 30 20 DBED N#Cc1ccc(N2C[C@H]3C(NC(=O)CCc4nc[nH]n4)[C@@H]3C2)nn1 1093240614 ZQBAPNXSEAUIDF-GHMZBOCLSA-N 324.348 -0.350 30 20 DBED C#CCCCC(=O)N[C@H]1[C@@H]2CN(c3ccc4nnnn4n3)C[C@@H]21 1093257909 GMAGNWSJWMNSNA-HBYGRHMLSA-N 311.349 -0.126 30 20 DBED N#Cc1nccnc1N1C[C@@H]2C(NC(=O)CCc3cnn[nH]3)[C@H]2C1 1093362374 VIWQDLYPSRNFNT-QWRGUYRKSA-N 324.348 -0.350 30 20 DBED Cn1cc(C(=O)N2CCC(OC3CN(CC#N)C3)CC2)nn1 1093533475 NQRRXNHRVBBHAD-UHFFFAOYSA-N 304.354 -0.356 30 20 DBED CC#CCN1CC(OC2CCN(C(=O)[C@H]3CNC(=O)N3)CC2)C1 1093566077 NAHSIZSOAPWVMP-CQSZACIVSA-N 320.393 -0.617 30 20 DBED CC(C)[C@H](F)C(=O)N1CCN(CC#N)[C@H]2CS(=O)(=O)C[C@H]21 1094653168 DRLLNTUZRQPZMH-TUAOUCFPSA-N 317.386 -0.186 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)c3cc(C)no3)CC2=O)C1 1094700211 CNQZOHNQTIKPLJ-NSHDSACASA-N 302.334 -0.369 30 20 DBED Cc1cc(=NCCCNC(=O)[C@H]2CNC(=O)N2)c(C#N)c[nH]1 1094750618 HOVIKODANKTCIV-GFCCVEGCSA-N 302.338 -0.717 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)[C@@]3(F)CCOC3)CC2=O)C1 1094778008 ISYOKPQXFBIZQB-IAQYHMDHSA-N 311.357 -0.298 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)Cn3ccnc3C)CC2=O)C1 1094816901 GUWKFFNVBSVDQF-CYBMUJFWSA-N 315.377 -0.774 30 20 DBED C#CCN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN1CCOCC1=O)C2 1094938288 VZPCVILFKPXRLW-MJBXVCDLSA-N 305.378 -0.553 30 20 DBED C=CCCOCC(=O)N[C@@H]1CCN(c2nccn3nnnc23)C1 1096393167 IFCYBELWCFTPLT-LLVKDONJSA-N 317.353 -0.193 30 20 DBED N#Cc1nccnc1N[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)C1CC1 1096800916 QJOJRUQQJDAVIY-QWRGUYRKSA-N 315.337 -0.664 30 20 DBED C[C@@H](CNC(=O)c1ccc(=O)n(C)n1)N=c1cc[nH]cc1C#N 1097851049 KTPFEPJEPIFUFQ-JTQLQIEISA-N 312.333 -0.301 30 20 DBED C[C@H](CNC(=O)[C@@H]1CCCNC1=O)N=c1cc[nH]c(C#N)n1 1098120990 RAJTZWHTCQLOFS-NXEZZACHSA-N 302.338 -0.787 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2cc(C)on2)[C@H](O)C1 1099651050 OPRIQIUMJDKSIX-GXTWGEPZSA-N 307.350 -0.202 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(Cc2cnn(C)c2)C[C@@H]1O 1099741334 RKUIUVSJBUCDEH-KBPBESRZSA-N 308.382 -0.326 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2ocnc2C)[C@H](O)C1 1099754022 CEMGPLJCEPJOIH-QWHCGFSZSA-N 307.350 -0.202 30 20 DBED C#CCCCCC(=O)N[C@@H]1CCN(CC(=O)N(C)C)C[C@H]1O 1099787241 VIZGUXUROVGHNH-ZIAGYGMSSA-N 309.410 -0.180 30 20 DBED C#CCCCC(=O)N[C@@H]1CCN(CCN2CCNC2=O)C[C@H]1O 1099804919 UIGZBIZMSUDVGN-ZIAGYGMSSA-N 322.409 -0.634 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)CNC(=O)N2CCCC2)[C@H](O)C1 1099830346 QFBLPSRBXITXNP-UONOGXRCSA-N 324.425 -0.081 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)CCCF)[C@H](O)C1 1099952614 WGQKDSUCFBCJOL-NWDGAFQWSA-N 301.362 -0.410 30 20 DBED CS(=O)(=O)C1(C(=O)N[C@H]2CCN(CC#N)C[C@@H]2O)CCC1 1100057034 BZLNSNLVEJYPLV-QWRGUYRKSA-N 315.395 -0.971 30 20 DBED C=CCCCNC1CC(CNC(=O)CNC(=O)CNC(C)=O)C1 1100455018 YBSNKPSYHYSOIL-UHFFFAOYSA-N 324.425 -0.311 30 20 DBED C=CCNC(=O)CNC1CC(CNC(=O)C(C)(C)NC(C)=O)C1 1100760182 SDJKJBJRTCAJIY-UHFFFAOYSA-N 324.425 -0.312 30 20 DBED N#Cc1ccc(N2CC[C@H](CNC(=O)CCNC(N)=O)C2)cn1 1100979944 DTZQGNGGKUTEAH-LLVKDONJSA-N 316.365 -0.046 30 20 DBED CNC(=O)NC(C)(C)C(=O)N(C)CCNc1cnc(C#N)cn1 1101644315 HTFBVHRMKVBRLV-UHFFFAOYSA-N 319.369 -0.074 30 20 DBED CC[C@H](CNC(=O)CCNC(N)=O)Nc1ccc(C#N)nn1 1103091886 HELTWMJJFRWKLJ-SECBINFHSA-N 305.342 -0.287 30 20 DBED CNC(=O)CC(=O)N[C@@](C)(CN=c1cc[nH]c(C#N)n1)C1CC1 1103518200 NJXXFLXGKVXADV-HNNXBMFYSA-N 316.365 -0.397 30 20 DBED C[C@H](CNC(=O)[C@@H]1CC(=O)N(C)C1)CNc1cnc(C#N)cn1 1104255079 VUBSZMPPTIWICC-WDEREUQCSA-N 316.365 -0.009 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CN(c2cncc(C#N)n2)CCO1 1104302543 XOALSBBZLMLNLD-PWSUYJOCSA-N 300.322 -0.171 30 20 DBED COC[C@H](OC)C(=O)NC[C@H](N=c1cc[nH]c(C#N)n1)C(C)C 1105282387 FEONFJWLNVESDX-RYUDHWBXSA-N 321.381 -0.016 30 20 DBED CC(=O)CCCC(=O)NC[C@@H](O)CNc1cncc(C#N)n1 1105718148 AEMNUNOTTVZXEP-LBPRGKRZSA-N 305.338 -0.003 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)C2=COCCC2)nn1 1105743174 XVCZFISDHRMEPL-GFCCVEGCSA-N 303.322 -0.068 30 20 DBED CN1CCC[C@H]1C(=O)NC[C@H](O)CNc1cnc(C#N)cn1 1105754554 HHEWJLXXNMSNED-NEPJUHHUSA-N 304.354 -0.669 30 20 DBED COC[C@H](C)CC(=O)NC[C@@H](O)CNc1cncc(C#N)n1 1105941426 XQZUYJQFAXFTNZ-PWSUYJOCSA-N 307.354 -0.090 30 20 DBED CC(C)(C(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1)C(F)F 1106096854 RKTNBKAQSGQDBZ-QMMMGPOBSA-N 313.308 -0.050 30 20 DBED CCC(=O)N[C@@H](C)C(=O)NC[C@@H](O)CNc1ccc(C#N)nc1 1106140908 RGDUHXMWHLXYJF-GWCFXTLKSA-N 319.365 -0.243 30 20 DBED C[C@@H](CCNc1ccc(C#N)nc1)NC(=O)Cn1ncnn1 1106454990 XCRWCHZTEJWNKL-JTQLQIEISA-N 300.326 -0.053 30 20 DBED N#Cc1nccnc1NC/C=C\CNC(=O)[C@H]1COCCO1 1107050187 DQYFOAHTEREIEI-UDSFMNFJSA-N 303.322 -0.152 30 20 DBED C=CCOCC(=O)NC[C@@]1(C)CN([C@H](CC)C(N)=O)CCO1 1107813361 RGURNGGLFMRJKH-DOMZBBRYSA-N 313.398 -0.340 30 20 DBED C#CCCN1CCO[C@](C)(CNC(=O)c2ccc(=O)n(C)n2)C1 1108383185 ZDFUEEZVDBHREB-MRXNPFEDSA-N 318.377 -0.376 30 20 DBED C[C@@]1(CNC(=O)[C@@H]2CCc3nncn3C2)CN(CC#N)CCO1 1108415882 OWWNWNHJWZLUFU-IUODEOHRSA-N 318.381 -0.429 30 20 DBED CCCOCC(=O)N1CCN(CC#N)[C@H]2CS(=O)(=O)C[C@H]21 1108462510 YDHCXJXVIHHYKN-NWDGAFQWSA-N 315.395 -0.754 30 20 DBED C=CCNC(=O)CN1CC(N2C[C@@H](NC(=O)C3CC3)CC2=O)C1 1108493773 YBKCCEBPWIKLHU-LBPRGKRZSA-N 320.393 -0.900 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)CCCCOC)CC2=O)C1 1108521663 HISNIOHFTPUTAP-CYBMUJFWSA-N 307.394 -0.162 30 20 DBED CCOCC(=O)N1C[C@H]2C[C@H](NCC(=O)NCC#N)C[C@H]1C2 1108608884 ULBCCGQJOQVXMF-RWMBFGLXSA-N 308.382 -0.368 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)[C@@H]1CCCCC(=O)N1 1108680610 PKZIYHIMCCGEAZ-QWRGUYRKSA-N 316.365 -0.254 30 20 DBED C[C@@H](CC(N)=O)C(=O)N[C@H](C)CN(C)c1ccc(C#N)nn1 1109205307 KMTXYTBZDDPBHX-VHSXEESVSA-N 304.354 -0.199 30 20 DBED CNC(=O)NCC(=O)N[C@H](C)CN(C)c1cncc(C#N)n1 1109287154 GNRXVVCVBWUCLZ-SECBINFHSA-N 305.342 -0.782 30 20 DBED Cc1nsc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)CC(N)=O)c1C#N 1109697878 RHEIILNKKCSDQW-VFWDIBGWSA-N 305.363 -0.108 30 20 DBED N#Cc1nc(=NC[C@@H](NC(=O)[C@@H]2COCCO2)C2CC2)cc[nH]1 1109797268 ASOHXTCYIHGRRU-NEPJUHHUSA-N 317.349 -0.508 30 20 DBED N#Cc1ccc(NC[C@@H](NC(=O)C2(C(N)=O)CC2)C2CC2)nn1 1109963675 MIHYUBLIUKURRA-LLVKDONJSA-N 314.349 -0.080 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cc(C)[nH]n1 1110332365 LYWLSJUYNXAILK-BZPMIXESSA-N 315.377 -0.197 30 20 DBED C=CCOCC(=O)NC[C@H]1COCCN1c1ccc(C#N)nn1 1111672096 SPOITXVSHATXOG-ZDUSSCGKSA-N 317.349 -0.128 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CCN(c2cncc(C#N)n2)[C@H](C)C1 1112467291 LZTFJKUPIHGBMY-ZYHUDNBSSA-N 316.365 -0.042 30 20 DBED CNC(=O)CC(=O)N[C@H]1CCN(c2ccc(C#N)nn2)[C@@H](C)C1 1112470714 YYQBPHMSVBXZJF-QWRGUYRKSA-N 316.365 -0.042 30 20 DBED CSCC(=O)NC[C@@H]1CN(c2nc(C)cc(C#N)n2)C[C@H]1O 1112699892 KTOGBPAEYUDKMC-ZYHUDNBSSA-N 321.406 -0.067 30 20 DBED N#Cc1cncc(N2C[C@@H](O)[C@@H](CNC(=O)C#CC3CC3)C2)n1 1112721274 XNIKLQYZBYNRQY-GXTWGEPZSA-N 311.345 -0.325 30 20 DBED C[C@H]1CC[C@@H](C)N1CC(=O)N1CCN(CC(=O)NCC#N)CC1 1113672417 RPFSPWYDVPASKS-OKILXGFUSA-N 321.425 -0.357 30 20 DBED N#CCSCC(=O)NC1[C@@H]2CN(CC(=O)N3CCCC3)C[C@@H]12 1113891548 UGJTUZAUDCWLMA-VXGBXAGGSA-N 322.434 -0.088 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@@H]2CN(Cc3ccn(C)n3)C[C@@H]12 1114158001 OFQQEAJFNJWTSQ-CHWSQXEVSA-N 315.377 -0.894 30 20 DBED C[C@H]1C[C@H](CNc2nccnc2C#N)CN1C(=O)CNC(N)=O 1114666801 IBIOWGMSMZAFLS-VHSXEESVSA-N 317.353 -0.335 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)CN3CC[C@H](C)C3)[C@H]2C1 1114831633 DRMVIRMOPIFSDF-SZOQZIPDSA-N 318.421 -0.876 30 20 DBED CCN(C)CCC(=O)NC1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]12 1115074347 KELQMCNUXRABRB-VXGBXAGGSA-N 307.398 -0.986 30 20 DBED C#Cc1ccc(C(=O)NC2[C@@H]3CN(C[C@@H](O)COC)C[C@@H]23)nc1 1115139920 NLLUTZUDGMNPST-MGPQQGTHSA-N 315.373 -0.270 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)N[C@H]1[C@@H]2CN(C[C@H](C)O)C[C@@H]21 1115301754 GQXWLXWWOSOIHM-WUHRBBMRSA-N 324.425 -0.323 30 20 DBED N#Cc1nc(=NCCCOCCNC(=O)c2cnn[nH]2)cc[nH]1 1115456757 GOPKEPIQEYWJJQ-UHFFFAOYSA-N 316.325 -0.863 30 20 DBED C#CCNC(=O)C1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 1116938562 UFHLTTHASJNAQU-UHFFFAOYSA-N 319.321 -0.221 30 20 DBED C=CCN(CC=C)C(=O)C(=O)NC[C@@H]1CC[C@@H](C(=O)N(C)C)O1 1117632696 SGADYIMTZQWXNA-STQMWFEESA-N 323.393 -0.061 30 20 DBED N#CCC1(CNC(=O)C(=O)N(CCO)C2CCOCC2)CC1 1117685558 PXAWEPUDPLZHKX-UHFFFAOYSA-N 309.366 -0.204 30 20 DBED CCN1CCN(C(=O)C(=O)N2CCC[C@@H](CC#N)C2)CC1=O 1118448436 FWNOPBGNYFEYNH-LBPRGKRZSA-N 306.366 -0.171 30 20 DBED C[C@H](CN(C)C(=O)[C@@H]1CN(C)C(=O)N1)Nc1ccc(C#N)nn1 1120406243 AXJMLGNISXYSTA-KOLCDFICSA-N 317.353 -0.369 30 20 DBED C[C@H](CN(C)C(=O)[C@@H]1CN(C)C(=O)N1)N=c1cc[nH]c(C#N)n1 1120407461 ITNVQIRWUDXGPK-ZJUUUORDSA-N 317.353 -0.947 30 20 DBED Cc1cc(C(=O)NC[C@H](CO)N=c2cc[nH]c(C#N)n2)no1 1121011172 VGFHZDDLEXZHDF-SECBINFHSA-N 302.294 -0.731 30 20 DBED CN1CCC[C@@H]1C(=O)NC[C@@H](CO)Nc1cnc(C#N)cn1 1121242834 ROQFWUDAAIUQFN-NWDGAFQWSA-N 304.354 -0.669 30 20 DBED N#Cc1nc(=N[C@H](CO)CNC(=O)CC2CCOCC2)cc[nH]1 1121257864 MWYLEEZVZIBWCZ-LBPRGKRZSA-N 319.365 -0.524 30 20 DBED N#Cc1c[nH]ccc1=N[C@H](CO)CNC(=O)C1=CCOCC1 1121340417 WXZMJGZHVWVWTG-ZDUSSCGKSA-N 302.334 -0.389 30 20 DBED CCNC(=O)CC(=O)NC[C@H](CO)Nc1ncc(C#N)cc1F 1121464300 KVOLOVUCKDWVII-SNVBAGLBSA-N 323.328 -0.492 30 20 DBED C=CCO[C@H](C)C(=O)NC[C@@H](CO)Nc1nccc(OC)n1 1121750032 VWGURLIRZYFITJ-MNOVXSKESA-N 310.354 -0.035 30 20 DBED Cc1nonc1CC(=O)NC[C@@H](CO)Nc1cncc(C#N)n1 1121956744 WLXSDGNNBVYLHF-JTQLQIEISA-N 317.309 -0.829 30 20 DBED N#C[C@@H](C(=O)c1cncs1)C(=O)N1CCS(=O)(=O)CC1 1122506726 OYOCFNXGQKTGIM-QMMMGPOBSA-N 313.360 -0.277 30 20 DBED CNC(=O)CC(=O)N1CC[C@@H](Nc2nccnc2C#N)[C@@H]1C 1122971240 NEXOMKFYWCYXRQ-VHSXEESVSA-N 302.338 -0.114 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)CN1CCCC1=O 1123335156 GFDXLANUTBBEGR-UHFFFAOYSA-N 323.397 -0.923 30 20 DBED CC(=O)N[C@@H](C)C(=O)N(C)C[C@H](O)CNc1cncc(C#N)n1 1124060240 VFXRQQZNILUMNM-JOYOIKCWSA-N 320.353 -0.896 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)c1cnns1 1124159555 NGBHFEOQBFUUKD-UHFFFAOYSA-N 310.383 -0.380 30 20 DBED CN(C[C@H](O)CNc1ccc(C#N)cn1)C(=O)c1cnn(C)n1 1124414321 FCRGITFOMOETSE-LLVKDONJSA-N 315.337 -0.373 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)COCCC 1124459842 RGKJDYXOSYHTBC-LLVKDONJSA-N 314.386 -0.481 30 20 DBED CN(C)C(=O)CC(=O)N(C)C[C@H](O)CNc1ccc(C#N)nn1 1124797864 LPDZSXQNWVYAAQ-LLVKDONJSA-N 320.353 -0.942 30 20 DBED N#Cc1c[nH]c(C(=O)NCCNC[C@H]2CCS(=O)(=O)C2)c1 1125361026 OTWKTWHKTLLRBP-SNVBAGLBSA-N 310.379 -0.360 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)[C@H]2CCC(=O)NC2)C1=O 1130702251 JJWWBWRJNUZUAK-RYUDHWBXSA-N 308.382 -0.995 30 20 DBED COCC#CCNCCNC(=O)[C@@H]1CN2CC3CC2(CO1)C3 1131519266 BVFDYVGFRHEIOP-BBBYJDLNSA-N 307.394 -0.795 30 20 DBED C#CCN1C[C@H](NC(=O)COCc2nncn2C)CC[C@@H]1C 1132392958 TWOQWKKGCGWDLA-QWHCGFSZSA-N 305.382 -0.066 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@H]1CCCc2cccnc21 1132733965 QJYDCULEPJFIGH-AWEZNQCLSA-N 314.389 -0.043 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CCc2cccnc21 1132983585 DBXZBXYNQCPCHB-GXTWGEPZSA-N 314.389 -0.045 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)C(C)(C)S(C)(=O)=O 1134670003 PZXCZTJACTVGPN-JTQLQIEISA-N 319.427 -0.794 30 20 DBED C#CCN[C@@H](C)C[C@@H](C)NC(=O)CCc1nnc(O)nc1O 1134864344 VIRAFYHCJYDDQN-VHSXEESVSA-N 307.354 -0.279 30 20 DBED C=CCn1cc(C(=O)NCCN[C@@H](C)C(=O)NCC(C)C)nn1 1134973077 CGLFMQHMSRIACU-LBPRGKRZSA-N 322.413 -0.056 30 20 DBED C#CCNC(=O)[C@H](C)N1CCCO[C@@H](CNC(=O)C2CC2)C1 1148941338 KFGHOYITRSUXPJ-JSGCOSHPSA-N 307.394 -0.259 30 20 DBED C#CCCN1CCCO[C@H](CNC(=O)CNC(=O)C2CC2)C1 1149281850 QWDNNGKWBHIELE-CQSZACIVSA-N 307.394 -0.257 30 20 DBED CC(C)(C)c1ncc(C(=O)NCCNCC(=O)NCC#N)cn1 1153700155 PDJLWVXJGPQRTA-UHFFFAOYSA-N 318.381 -0.267 30 20 DBED C=C(C)CN(CC)[C@H](C)CNC(=O)CNS(=O)(=O)NC 1154469034 JVLULXDKXUXICO-LLVKDONJSA-N 306.432 -0.557 30 20 DBED C#CCNC(=O)CC(=O)NCCCNCc1cc(OC)ns1 1156857192 HKBJORPEMUZVPY-UHFFFAOYSA-N 324.406 -0.113 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)CCNC(=O)NC 1157508538 PDZGEWGGXGHIPP-LLVKDONJSA-N 313.402 -0.908 30 20 DBED C#CCNC(=O)CN1CC=C(CCNC(=O)c2cc[nH]n2)CC1 1159344976 AQMXAFIGIBWYQV-UHFFFAOYSA-N 315.377 -0.089 30 20 DBED C#CCNC(=O)CNCC1(CCNC(=O)c2cocn2)CC1 1163799515 LQYBXNMDXMNGCG-UHFFFAOYSA-N 304.350 -0.086 30 20 DBED COCC#CCNCC1(CCNC(=O)[C@@H]2CNC(=O)N2)CC1 1166902372 IKLMAPJBLHBHKG-LBPRGKRZSA-N 308.382 -0.806 30 20 DBED COCC#CCNCCCC[C@H](C)NC(=O)[C@@H]1CN(C)C(=O)N1 1174693958 GAUYUKRIFLTSQM-KBPBESRZSA-N 324.425 -0.076 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@H]1CCc2c[nH]nc2C1 1176628115 PKEXZCXKRDMDJH-LBPRGKRZSA-N 319.409 -0.087 30 20 DBED CS(=O)(=O)NCCC(=O)NCCCCCCNCC#N 1178621076 CMRVKIRITMFGSP-UHFFFAOYSA-N 304.416 -0.285 30 20 DBED C#CCNCCCCCCNC(=O)Cn1ccc(O)nc1=O 1178962288 RZSLJQXXFKCESH-UHFFFAOYSA-N 306.366 -0.152 30 20 DBED C[C@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)COCC(F)F 1179219381 PKDGXPIZMLGAGE-UWVGGRQHSA-N 318.324 -0.513 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](C)C2)C1 1186941706 ONUORODOOHQBDV-QWHCGFSZSA-N 322.409 -0.653 30 20 DBED CN(C)C(=O)CCCC(=O)N1CC[C@@H](NCC(=O)NCC#N)C1 1187166999 ONKDLKYROZSARX-GFCCVEGCSA-N 323.397 -0.925 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)CCCN(C)C(C)=O)C1 1187476249 XVSPCNQKISPFQN-CQSZACIVSA-N 322.409 -0.815 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)[C@H]2CCCC(=O)N2C)C1 1187490751 DNGKGNFSNFEDQK-ZIAGYGMSSA-N 307.394 -0.162 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2[nH]cnc2CC)C1 1187501308 VLZIIOIGWROUCC-LLVKDONJSA-N 303.366 -0.474 30 20 DBED CN(CC(=O)NCC#N)[C@H]1CCN(C(=O)[C@H]2CCCCN2C)C1 1190947570 QRXTYCHRBBVUAR-UONOGXRCSA-N 321.425 -0.357 30 20 DBED C=CCCC(=O)N[C@@H]1CN(CC(=O)N(CC)CCC#N)C[C@H]1O 1191622088 CAEQNHDBOSHBQF-ZIAGYGMSSA-N 322.409 -0.124 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(Cc2nccnc2C)C[C@H]1O 1192529910 INESKJJZEWVLLC-FMKPAKJESA-N 320.393 -0.227 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2ncc(C)o2)C[C@H]1O 1192844444 TVVLOJBBPMEOBY-JHJVBQTASA-N 307.350 -0.317 30 20 DBED C=CC(C)(C)CC(=O)N[C@@H]1CN([C@@H]2CCC(=O)NC2=O)C[C@H]1O 1193337026 GIHWCEABUFXBTL-IJLUTSLNSA-N 323.393 -0.445 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C2(CC#C)CCC2)C1 1193686053 UOQWXCCRDWCEHQ-ZIAGYGMSSA-N 317.389 -0.909 30 20 DBED COCC#CCN(C)[C@@H]1CCN(C(=O)C[C@H]2CC(=O)NC2=O)C1 1194542939 AJOFDMHOSDTBTK-CHWSQXEVSA-N 321.377 -0.778 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C(C)(C)CCC)C1 1195770350 ISWZIQGQNFMUMI-CHWSQXEVSA-N 309.410 -0.277 30 20 DBED C=CCNC[C@H]1CN(C(=O)COCc2nncn2C)CCCO1 1201757827 HYUMYCQOSPJBEJ-ZDUSSCGKSA-N 323.397 -0.275 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)CCc2cn(C)nn2)CCCO1 1202236192 QUOKZHDUKVCVSH-OAHLLOKOSA-N 319.409 -0.022 30 20 DBED CC#CCNC1CCN(C(=O)[C@H]2COCCN2C(C)=O)CC1 1203782524 UKQFYTGBSWGPMC-OAHLLOKOSA-N 307.394 -0.162 30 20 DBED C#CCNC(=O)CC(=O)N1CCC(CNCCCOC)CC1 1205050775 VFAAWKBWUXUCNN-UHFFFAOYSA-N 309.410 -0.009 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)CC1OCCCO1 1206898727 FBVMKWJUUYNSKB-VXGBXAGGSA-N 324.381 -0.784 30 20 DBED CCNC(=O)CCC(=O)N1CCC[C@H](NCC(=O)NCC#N)C1 1207660205 CEDVTYRNUIYIJF-LBPRGKRZSA-N 323.397 -0.877 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)Cc2cnc[nH]2)C1 1209835385 AKTSYJDPCZVWBN-GFCCVEGCSA-N 303.366 -0.718 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC[C@H](NCC(=O)NC)C1 1209964165 OJMFPXDEACDDEW-KBPBESRZSA-N 324.425 -0.216 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCCN(C(=O)CC(=O)N(C)C)C1 1210027353 AUUREOMMXZVINZ-QWHCGFSZSA-N 322.409 -0.817 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)CN1CCCC1 1211031875 OYWHBQZQNZSEKN-CHWSQXEVSA-N 307.398 -0.842 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)C#CC2CC2)[C@H](OC)C1 1212250533 AFVRCUJGPQRVLK-NWANDNLSSA-N 317.389 -0.647 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H](CC)NC(C)=O)C[C@H]1C 1215614072 XHNZAZDFPUJMLN-MRVWCRGKSA-N 324.425 -0.360 30 20 DBED COC[C@@H](C)CC(=O)N1C[C@@H](NCC(=O)NCC#N)[C@H](C)C1 1216137602 YFISZUKEEHDQEC-YNEHKIRRSA-N 310.398 -0.265 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CCS(C)(=O)=O 1218188175 NEDBANZBWGYTBZ-QWHCGFSZSA-N 314.407 -0.644 30 20 DBED C=CCCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CCn1cnnn1 1218826513 VJBQWNKVLIWELY-UONOGXRCSA-N 320.397 -0.059 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CN(Cc2nc(C3CC3)nn2C)C[C@@H]1O 1219381524 VCWCMKMDRPSVHX-WCQGTBRESA-N 318.381 -0.487 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)C(C)(C)CC)C1 1220253222 NTHRWRNPINTPEB-UPJWGTAASA-N 309.410 -0.278 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 1220297275 SQDIVWFPUQVGOM-QLFBSQMISA-N 311.426 -0.616 30 20 DBED COCC#CCN1CC[C@@H]2CN(C(=O)CCc3cnn[nH]3)[C@@H]2C1 1221820282 WJYSRSAQZCCYRQ-UKRRQHHQSA-N 317.393 -0.080 30 20 DBED COCC#CCN1CC[C@@H]2CN(C(=O)CC(=O)N(C)C)[C@@H]2C1 1221859221 ILTVVISTLOXYBB-ZIAGYGMSSA-N 307.394 -0.353 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC(NC(=O)[C@@H](C)COC)CC1 1226579361 LTYIKYCWGKKCCB-STQMWFEESA-N 309.410 -0.013 30 20 DBED Cc1[nH]nc(C(=O)NC2CCN(CC(=O)NCC#N)CC2)c1O 1226884348 PJQVTKNWBLLXLB-UHFFFAOYSA-N 320.353 -0.742 30 20 DBED C#CCCN[C@@H]1CCCC[C@H]1NC(=O)CN1CCN(C)C(=O)C1 1227185209 YFYUSTPLTHRUFJ-HUUCEWRRSA-N 320.437 -0.199 30 20 DBED C#CCCCC(=O)N(C)C[C@@H]1CCN1CCNS(C)(=O)=O 1233948182 RQEFWBMGTKAWKX-ZDUSSCGKSA-N 315.439 -0.128 30 20 DBED C=CCOCCN1CC[C@H]1CN(C)C(=O)C[C@@H]1NC(=O)NC1=O 1235474056 ZSVGPPLIAFRILO-RYUDHWBXSA-N 324.381 -0.680 30 20 DBED CC(CS(C)(=O)=O)=NNc1ccc(S(N)(=O)=O)cn1 1318726311 BJRRNILEIILERG-UHFFFAOYSA-N 306.369 -0.439 30 20 DBED N#CCOc1cccc(NC(=O)C(=O)N2C[C@H](O)[C@H](O)C2)c1 1320908808 USDMUBIDSISFML-TXEJJXNPSA-N 305.290 -0.909 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCCc2cnccn2)C1=O 1323439326 ZZDJWWPLPDXOAY-UHFFFAOYSA-N 317.305 -0.888 30 20 DBED COCCONC(=O)C(=O)NCc1cccc(OCC#N)c1 1323495353 RIIANTXTJKFPHS-UHFFFAOYSA-N 307.306 -0.101 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N1C[C@H](C)[C@](C)(CO)C1 1327473425 NXOUWIMXAYODEV-BBRMVZONSA-N 310.394 -0.038 30 20 DBED C[C@@]1(CNC(=O)C(=O)N2CCC[C@H](CC#N)C2)CCC(=O)N1 1328133172 QOHHOYQTUSRUQP-ABAIWWIYSA-N 306.366 -0.076 30 20 DBED COCCOCCNC(=O)C(=O)NCCc1ccc(C#N)cc1 1328293948 SOMMXBVGHOUIGL-UHFFFAOYSA-N 319.361 -0.004 30 20 DBED CCNC(=O)N1CC[C@@H](NC(=O)C(=O)N2CCC(C#N)CC2)C1 1329640533 YMZRAOLJVSWVGK-GFCCVEGCSA-N 321.381 -0.331 30 20 DBED O=S1(=O)CC[C@@H](NN=Cc2cn(C[C@@H]3CCCO3)nn2)C1 1329730777 HZGWIWWRYGDKND-PWSUYJOCSA-N 313.383 -0.432 30 20 DBED CO[C@H](C=NN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C=C[C@H]2O1)[C@H]1CCOC1 1329731340 LRWZIMCUIBUBPZ-ZRFFIENRSA-N 306.318 -0.038 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)NC[C@@H]1CCCNC1=O 1331528539 NWSVWAHRTKPQLT-NWDGAFQWSA-N 309.366 -0.827 30 20 DBED CN(CCN1CCOCC1)C(=O)C(=O)N1CCC[C@@H](C#N)C1 1335047195 WNPNKCHKEHFIIN-ZDUSSCGKSA-N 308.382 -0.461 30 20 DBED CN1CCC[C@H](NC(=O)CCN/C(O)=C2\N=CC=CC2=O)C1=O 1335315303 ZWCBTOAXXJGOHP-NJERVBSYSA-N 320.349 -0.360 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N1CC[C@@H](C(=O)OC)[C@@H]1C 1336593812 CZQUYGRNOITFFQ-YNEHKIRRSA-N 324.377 -0.059 30 20 DBED C#CC[C@H](NC(=O)[C@@H]1CC(c2cnn(C)c2)=NO1)C(=O)OC 1337269070 XSBPIXVWTBMIFA-JQWIXIFHSA-N 304.306 -0.406 30 20 DBED N#Cc1cc(F)ccc1NC(=O)C(=O)N1CC(CC(N)=O)C1 1339727891 YTOMTMSMONCAEQ-UHFFFAOYSA-N 304.281 -0.030 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)NC[C@@H]1CCCN(C(C)=O)C1 1342069250 HBBVFEGDKSAELW-STQMWFEESA-N 311.382 -0.322 30 20 DBED CNC(=O)C(C)(C)CNC(=O)C(=O)Nc1cccc(C#N)n1 1345812035 KTCLKFMSTNZVQC-UHFFFAOYSA-N 303.322 -0.220 30 20 DBED C=C[C@@](C)(CCOC)C(=O)NCCc1nnc2n1CCNC2=O 1348199157 AJYSOEOKXJRZCK-HNNXBMFYSA-N 321.381 -0.091 30 20 DBED C[C@@H](C#N)CN(C)C(=O)C(=O)N(C)CC(C)(C)S(C)(=O)=O 1348898575 FAMACNJHGSOZLJ-JTQLQIEISA-N 317.411 -0.114 30 20 DBED CN(CCS(C)(=O)=O)C(=O)C(=O)N1CCC[C@@H](CC#N)C1 1350180059 ARUQOJWVUJUTIR-NSHDSACASA-N 315.395 -0.358 30 20 DBED N#Cc1ncn(CCNC(=O)N2CCC3(CCNC3=O)CC2)n1 1365154443 JEQJXSGVBSKCLX-UHFFFAOYSA-N 317.353 -0.539 30 20 DBED C=C(Cl)CNC1(CNC(=O)CN2CCN(C)C(=O)C2)CC1 1368015653 SSIYWVYHBBTCAJ-UHFFFAOYSA-N 314.817 -0.249 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)CCc2ccccn2)C1 1371471190 YRPPIZIUMPYRDQ-MRVWCRGKSA-N 316.361 -0.138 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CCN(C(=O)CN2CCCNC2=O)C1 1385860041 RSNWCTNCOYHXGQ-QWRGUYRKSA-N 307.354 -0.722 30 20 DBED CC[C@@H](CNC(=O)Cn1nc(C)n(C)c1=O)NC(=O)[C@@H](C)C#N 1390602620 RCXCKFSKAWZENQ-ONGXEEELSA-N 322.369 -0.939 30 20 DBED CNC(=O)c1ccc(C(=O)N[C@@H](C)CNC(=O)[C@@H](C)C#N)cn1 1392964088 ULDAIYBTBDKALG-UWVGGRQHSA-N 317.349 -0.165 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)C[C@@H]2CCCC(=O)N2)C1 1397225399 FTXUEJQLYPAECH-BJDJZHNGSA-N 306.366 -0.032 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]1CNC(=O)COCc1ccnn1C 1400451519 XAOQPKMGJMEIDZ-NWDGAFQWSA-N 319.365 -0.187 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1 1407225903 KIXUZMIUFYTKGO-VHSXEESVSA-N 303.322 -0.398 30 20 DBED C[C@H](CNC(=O)c1cnn(C)n1)NC(=O)c1ccc(C#N)[nH]1 1408240007 ZPNQKQQRNYSERO-MRVPVSSYSA-N 301.310 -0.437 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)CCc1ccn(C)n1 1410132970 OBZIBFBVLXRNOG-ZYHUDNBSSA-N 307.354 -0.894 30 20 DBED COc1cc(C#N)ccc1C(=O)NC[C@@H](O)Cn1ccnn1 1412215875 NUQTWPSYFFWECY-LLVKDONJSA-N 301.306 -0.051 30 20 DBED CCN(CCC#N)S(=O)(=O)N[C@H](CO)Cc1cnn(C)c1 1424258296 MIKDOKGTFMMNFX-LBPRGKRZSA-N 315.399 -0.607 30 20 DBED CS(=O)(=O)c1ccnc(NC(=O)N2CC(O)(CC#N)C2)c1 1426079817 UZEZQKXWOLSQHZ-UHFFFAOYSA-N 310.335 -0.023 30 20 DBED CCC[C@@H](NC(N)=O)C(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H](C)C#N)C1 1426878414 RAAQRZIGBNABEG-NNYUYHANSA-N 323.397 -0.006 30 20 DBED C[C@@H]1NC(=O)[C@@H](C)N(C(=O)NCCn2cnc(C#N)n2)[C@H]1C 1427473731 YSAZTFUKBZGKHA-LPEHRKFASA-N 305.342 -0.543 30 20 DBED C[C@@H](C#N)C(=O)NCC1CCN(C(=O)CCNC(N)=O)CC1 1427608140 JXDGGLQUPQSVIK-JTQLQIEISA-N 309.370 -0.441 30 20 DBED N#Cc1cn(CC(=O)N2CC[C@@H]([C@@H]3CCOC3)C2)c(=O)nc1O 1433833768 UCGBFWYGJHEPIT-GHMZBOCLSA-N 318.333 -0.294 30 20 DBED COCC(=O)N(C)CC(=O)N1CCC[C@@H]1CNC(=O)[C@@H](C)C#N 1449661360 POJZOPYCNYEWTK-NWDGAFQWSA-N 324.381 -0.642 30 20 DBED CN(C)CCCCC(=O)N[C@H]1CCN(CC(=O)NCC#N)C1 1481695400 DHISHXFHZNUPAJ-ZDUSSCGKSA-N 309.414 -0.451 30 20 DBED Cc1n[nH]cc1C(=O)N1CCC[C@@H]1CNCC(=O)NCC#N 1495572191 YNWBCHHKEOTCAW-LLVKDONJSA-N 304.354 -0.448 30 20 DBED COC(=O)[C@@H]1CN(C(=O)c2ccc(C#N)n2C)C[C@@H]1C(=O)O 1571085274 YKQBYKFJDOAINK-VHSXEESVSA-N 305.290 -0.157 30 20 DBED C#CCOCCC(=O)N[C@H]1CCN(c2ncc(C(=O)O)cn2)C1 1573311888 ZYCCRFHQYUHYIG-LBPRGKRZSA-N 318.333 -0.090 30 20 DBED C[C@H](C#N)C(=O)N(C)CCN(C)c1nccnc1-c1nn[nH]n1 1573562287 RZKFKCQAVTYQNY-SECBINFHSA-N 315.341 -0.289 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](N=c2cc[nH]c(-c3nn[nH]n3)n2)C1 1573563586 AYYRJQLTKJLFNQ-IUCAKERBSA-N 313.325 -0.749 30 20 DBED C#C[C@@H]1COCCN1C(=O)N[C@H]1CCCCN(CC(=O)O)C1=O 1588388945 IZHUZSBIVHRLBQ-NEPJUHHUSA-N 323.349 -0.504 30 20 DBED C=C(CCC(=O)OC)C(=O)NCCn1cnc(-c2nn[nH]n2)n1 1588444107 KUTHDCGCEXWPQO-UHFFFAOYSA-N 320.313 -0.916 30 20 DBED CC#CC[C@H](CO)NC(=O)C1(C(=O)O)CCS(=O)(=O)CC1 1588478479 BNHZXLMUGVFLDK-SNVBAGLBSA-N 317.363 -0.844 30 20 DBED C=C(C)C[C@@H](NC(=O)CN1CCS(=O)(=O)CC1)C(=O)O 1588542314 FVULQVKSHPJRGM-SNVBAGLBSA-N 304.368 -0.748 30 20 DBED C[C@H](CNC(=O)C#CC1CC1)Nc1cncc(-c2nn[nH]n2)n1 1589847851 LQEOOBBQYJDESB-SECBINFHSA-N 312.337 -0.013 30 20 DBED CCN(C(=O)Cn1cc(C#N)c(O)nc1=O)C(C)(C)C(=O)O 1596147915 JWRFKGAIZSLMRH-UHFFFAOYSA-N 308.294 -0.468 30 20 DBED CCN(C[C@@H](C)C#N)C(=O)CN1CCNC(=O)[C@H]1CC(=O)O 1596230160 SWLJWOBAUFNZSG-WDEREUQCSA-N 310.354 -0.730 30 20 DBED COC(=O)C1(S(=O)(=O)N(CC#N)CCC(=O)O)CCC1 1598726465 VGWYRCCXWOWIQN-UHFFFAOYSA-N 304.324 -0.288 30 20 DBED C#CCN(CC(=O)O)[C@H]1CCN(CC(=O)OC(C)(C)C)C1=O 1602695943 YKJUIMTVSIURDX-NSHDSACASA-N 310.350 -0.051 30 20 DBED C#CCn1ccc(CN(CCOC)[C@H](C)C(=O)NCC(=O)O)n1 1602738218 PHSCHUZNMHKYRE-GFCCVEGCSA-N 322.365 -0.446 30 20 DBED CCc1nnc(Cn2c(N)nc(-c3nn[nH]n3)c2C#N)s1 1604581173 IOOWKYBPWXOREV-UHFFFAOYSA-N 302.327 -0.021 30 20 DBED N#CCSCC(=O)NC1(CNC(=O)[C@H]2C[C@H]2C(=O)O)CC1 1608187410 XRJDSPRPOAPWBJ-DTWKUNHWSA-N 311.363 -0.271 30 20 DBED N#Cc1cccc(NC(=O)C(=O)N2CCC(O)(C(=O)O)CC2)n1 1608217164 OMSYAGXTURQMHP-UHFFFAOYSA-N 318.289 -0.670 30 20 DBED CCS(=O)(=O)C[C@H](C)NC(=O)N1CC[C@](O)(CC#N)C1 1647236226 QHMJGRRDRKKZSD-CMPLNLGQSA-N 303.384 -0.130 30 20 DBED C#CCNC(=O)CN(C)CCCNC(=O)c1cnn2c1CCC2 1751988086 ICCOMWLVLSEESL-UHFFFAOYSA-N 317.393 -0.370 30 20 DBED C#CCNC(=O)CN1CCCC[C@@H]1CNC(=O)Cc1cnc[nH]1 1752823401 ZLZYMANUZJEZDR-CQSZACIVSA-N 317.393 -0.328 30 20 DBED C=CCNC(=O)[C@H](C)N(C)CCNC(=O)[C@]1(F)CCOC1 1753061534 JXZLNTFYKFHSFS-FZMZJTMJSA-N 301.362 -0.146 30 20 DBED C#CCNC(=O)CN(C)CCNC(=O)c1c[nH]c(C)cc1=O 1753070416 YJKJZNJTYCUTIR-UHFFFAOYSA-N 304.350 -0.906 30 20 DBED COCC#CCNC[C@@H](C)CNC(=O)C(=O)NCC(F)F 1753622633 KSVSNXLIBWCESQ-SNVBAGLBSA-N 305.325 -0.641 30 20 DBED C#CCN(C(=O)CCCCC(N)=O)C1CCN(CCO)CC1 1754641827 BIGJNMUUSDRVBA-UHFFFAOYSA-N 309.410 -0.049 30 20 DBED COCC#CCN1CC(O)(CNC(=O)c2n[nH]c3c2CCC3)C1 1754769705 JKZAKDNGJYECDO-UHFFFAOYSA-N 318.377 -0.675 30 20 DBED CC#CCN1CCOC[C@@H]1CNC(=O)[C@@H](CCC)NC(N)=O 1754974813 QQARPBKXHOMXGE-QWHCGFSZSA-N 310.398 -0.336 30 20 DBED CC[C@@]1(C(=O)NC[C@@H]2CCC3(CN(CC#N)C3)O2)CCNC1=O 1755054853 WOQKIOINNWVBIS-BLLLJJGKSA-N 320.393 -0.224 30 20 DBED COCC#CCN[C@H]1CN(C(=O)CCc2nc[nH]n2)C[C@H]1C 1755106778 BQMVZGUSZUOEKJ-OLZOCXBDSA-N 305.382 -0.176 30 20 DBED C#CCCN1CC(CCO)(NC(=O)[C@H](C)N2C(=O)CCC2=O)C1 1755333312 FXSGQKCLNAXVIW-LBPRGKRZSA-N 321.377 -0.900 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@H]1[C@@H]2CN(Cc3nnn(C)n3)C[C@H]12 1755419733 HRDFQNBXTXZWQL-MCYUEQNJSA-N 320.397 -0.669 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@H](C)N(C(=O)CCOCC#C)C1 1755679119 SDUWBTBYQNABOH-KBPBESRZSA-N 305.378 -0.645 30 20 DBED C#CCNC(=O)CNC[C@H]1CC[C@H](NC(=O)c2n[nH]cc2F)C1 1755743957 PXLQEVQISRYIKV-QWRGUYRKSA-N 321.356 -0.214 30 20 DBED CC(=O)N1C[C@H](CNCC(=O)NCC#N)[C@@H](C(F)(F)F)C1 1755767300 CWBMHBLMGQJJNG-UWVGGRQHSA-N 306.288 -0.127 30 20 DBED C#CCCCC(=O)N(C)C[C@@H](O)CN(C)Cc1nncn1C 1755800940 QIWDDIXBBUJHSI-ZDUSSCGKSA-N 307.398 -0.130 30 20 DBED C#CCO[C@H](C)C(=O)N(C)[C@H](C)CNC(=O)Cc1cnc[nH]1 1756074179 WMPNLUVAOCQEAU-VXGBXAGGSA-N 306.366 -0.046 30 20 DBED C[C@@H](CN(C)C(=O)CSCC#N)NC(=O)[C@H]1CCC(=O)N1 1756432717 SNAHQSITBTYHEG-VHSXEESVSA-N 312.395 -0.515 30 20 DBED C=CCOCC(=O)N1C[C@@H](NC(=O)c2nnn(C)n2)C[C@@H]1C 1756584517 SDZQZLQMZDOWJN-UWVGGRQHSA-N 308.342 -0.868 30 20 DBED C#CCOCCC(=O)N1CC[C@H](C)[C@@H](CNC(=O)C(N)=O)C1 1756808056 RNMZEXMFAJCHKI-RYUDHWBXSA-N 309.366 -0.888 30 20 DBED C=CCn1cc(C(=O)NC[C@@H](C)N(CC)C(=O)CC(N)=O)nn1 1756853456 VGYZQJJHKMBMTB-SNVBAGLBSA-N 322.369 -0.694 30 20 DBED CCC(=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1CC1 1793261617 LDJSCCNXBLJYFT-YWVIFJGQSA-N 318.373 -0.032 30 20 DBED C#CC(=O)N1CCCC12CN(C(=O)c1cc(OC)n(C)n1)C2 1845959713 YWRRSOZUHXJRJH-UHFFFAOYSA-N 302.334 -0.121 30 20 DBED N#Cc1c(F)cccc1S(=O)(=O)N[C@H](CC(N)=O)C(=O)O 70393953 LZHHBZPJZMIWDV-MRVPVSSYSA-N 315.282 -0.696 30 20 DBED C=CCNC(=O)NC(=O)CN1CCNC[C@H]1c1nccn1C 261841847 WRFRQOGOBLFZQU-NSHDSACASA-N 306.370 -0.622 30 20 DBED COCCN/C(N)=N/Cc1ccnc(N2CCN(C)CC2)c1 264056146 ATTHRJNCUBJIJY-UHFFFAOYSA-N 306.414 -0.116 30 20 DBED N#Cc1cc(C#N)c(SCC(=O)N2CCNC(=O)C2)nc1N 298202132 VZWSDZFGBDACGQ-UHFFFAOYSA-N 316.346 -0.542 30 20 DBED CS(=O)(=O)N1CCC[C@@H]1C/N=C(/O)N1CCC[C@H](O)C1 328734002 JVIKSXYPEOCTEC-MNOVXSKESA-N 305.400 -0.219 30 20 DBED CN1C[C@H](/N=C(/O)CCN2CCCS2(=O)=O)CCC1=O 329423685 IHYOLSNUWWDFLT-SNVBAGLBSA-N 303.384 -0.011 30 20 DBED CN(CC(=O)N1CCOCC1)/C(O)=N/[C@@H]1CCn2ccnc2C1 330285995 ZLTLZMZAXKARMJ-GFCCVEGCSA-N 321.381 -0.098 30 20 DBED CC(C)[C@@](C)(C#N)NC(=O)CN1CCN2C(=O)NC(=O)[C@@H]2C1 330515928 WCBVUEDEJSSKTI-IINYFYTJSA-N 307.354 -0.723 30 20 DBED COC[C@H](O)CC/N=C(/O)N[C@H]1CCCN(S(C)(=O)=O)C1 330595551 XSPWLUYROAXXOK-WDEREUQCSA-N 323.415 -0.689 30 20 DBED CNC(=O)CN1CCN(C(=O)Cc2noc(C)c2C#N)CC1 330742511 STCZTJOIRHCVCR-UHFFFAOYSA-N 305.338 -0.713 30 20 DBED CCS(=O)(=O)C[C@H](C)/N=C(/O)N[C@H]1CCc2ncnn2C1 330760548 LVBSAROBDRPNIM-UWVGGRQHSA-N 315.399 -0.080 30 20 DBED CCN(C)C(=O)C/N=C(/O)N1CCC(N(C)CCO)CC1 331160967 KRAOSVKSWDTSTH-UHFFFAOYSA-N 300.403 -0.233 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@H](CO)[C@H]1CCCO1 337157843 QCMONRYQTXYVJE-VXGBXAGGSA-N 321.399 -0.777 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC2(CO)CCCC2)C1=O 340544148 GIVDBVVNBSLWDD-UHFFFAOYSA-N 309.322 -0.616 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1CCC(S(N)(=O)=O)CC1 341197932 XZBHKDMAMWMPNI-VIFPVBQESA-N 318.399 -0.860 30 20 DBED C=CCN1CCC(NC(=O)C(=O)N[C@H]2CCCN(C)C2=O)CC1 343770459 UEIQCBNVGDNRMJ-ZDUSSCGKSA-N 322.409 -0.510 30 20 DBED COC(=O)CN(CC#N)C(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O 348806080 WDBPRANZYMOEER-CQSZACIVSA-N 322.321 -0.768 30 20 DBED Cn1cc(C#N)cc1C(=O)NCCCN1CCC[C@@H]1C(N)=O 349339381 CBINSFNDULKTGP-GFCCVEGCSA-N 303.366 -0.034 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@@H](n2cc(C(=O)OC)nn2)C1 375212732 XRJSGLNTXCAUCP-WDEREUQCSA-N 305.338 -0.551 30 20 DBED C=CCn1cc(CNC(=O)c2cnc(COC)nc2N)nn1 425327047 MDMIBDHKPJBHRW-UHFFFAOYSA-N 303.326 -0.087 30 20 DBED COCCN(CCC#N)S(=O)(=O)NC[C@H]1CC[C@@H](CO)O1 431573644 CEMWUPLXWNYUAP-NEPJUHHUSA-N 321.399 -0.777 30 20 DBED Cn1ncc2c(=O)n(CC(=O)NCc3cccc(C#N)c3)nnc21 440831765 GTMTZVJORGTFKE-UHFFFAOYSA-N 323.316 -0.287 30 20 DBED COC(=O)[C@@H](O)C1CCN(S(=O)(=O)CCCC#N)CC1 443495729 WKDNAEPMMMWNTQ-NSHDSACASA-N 304.368 -0.134 30 20 DBED C=CCC[C@H](CO)NS(=O)(=O)CCCN1CCOCC1 452029522 JUYLFEWVHLKLEM-CYBMUJFWSA-N 306.428 -0.045 30 20 DBED C#CCNC(=O)C1CCN(C(=O)N[C@@H]2COC[C@H]2OC)CC1 491535618 DGMQHICLLSBQES-CHWSQXEVSA-N 309.366 -0.429 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2ncc(F)cc2F)CC1 491668716 MUAPRRWDSGZTNV-UHFFFAOYSA-N 322.315 -0.133 30 20 DBED Cc1cc(C#N)cnc1C(=O)NCCCN1CCNC(=O)C1 556682163 IQOWPIDUVTUOPL-UHFFFAOYSA-N 301.350 -0.187 30 20 DBED C[C@@H]1CN(C[C@H](O)CN2CCN(C(=O)CC#N)CC2)C[C@@H](C)O1 563363014 HTCGOCAVLGXXSR-RBSFLKMASA-N 324.425 -0.486 30 20 DBED O=C(NCC#Cc1cccc(F)c1)NCC(=O)N1CCNCC1 563590491 ACJQEERIAMZRIZ-UHFFFAOYSA-N 318.352 -0.092 30 20 DBED C[C@H](NC(=O)CN1CC[C@](O)(CC#N)C1)C(=O)N1CCCCC1 592146853 KXAJWAWIAICXCQ-XJKSGUPXSA-N 322.409 -0.146 30 20 DBED CC(C)(CNC(=O)NCC(=O)NCC#N)[C@@]1(O)CCCOC1 596599515 RLNBXXKDOIGLET-CQSZACIVSA-N 312.370 -0.507 30 20 DBED CC(C)[C@H](NS(C)(=O)=O)C(=O)N1CCN(CCC#N)CC1 602204282 JUGZMEJFFKTMBU-LBPRGKRZSA-N 316.427 -0.382 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCNC(=O)C[C@H]1C 644844507 ZRTZVTHVZIXQPX-BZPMIXESSA-N 323.393 -0.179 30 20 DBED C=CCOC[C@H](NS(=O)(=O)C[C@H](OC)C1CC1)C(=O)O 646046716 OSTSJBYYUWONCP-QWRGUYRKSA-N 307.368 -0.013 30 20 DBED CC#CC[C@@H](CO)NC(=O)c1ccc(S(N)(=O)=O)cc1F 649184713 PMNDQXJVNVIHSY-VIFPVBQESA-N 314.338 -0.023 30 20 DBED N#Cc1c(F)cccc1S(=O)(=O)N1CC(O)(C(=O)O)C1 706482785 SWIJDNXNZINWJZ-UHFFFAOYSA-N 300.267 -0.483 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)CC)CC1 730098773 QGHWJYQFBSNGPY-ZDUSSCGKSA-N 313.423 -0.422 30 20 DBED N#Cc1cccc(CNC(=O)COC(=O)C2(C(N)=O)CC2)c1 731730318 YNERPKUCSOKJCJ-UHFFFAOYSA-N 301.302 -0.017 30 20 DBED C#CCCN1CCC(NC(=O)C(C)(C)NS(C)(=O)=O)CC1 743492313 TZOVXBHAAABDOM-UHFFFAOYSA-N 315.439 -0.082 30 20 DBED C=CCCOCC(=O)OCCNS(=O)(=O)c1cnn(C)c1 744865258 FBKVNTWESXRWNS-UHFFFAOYSA-N 317.367 -0.166 30 20 DBED C#CCN1CCN(C(=O)c2ccnc3c(C(N)=O)cnn23)CC1 758020181 LHKXMACMRSVLKF-UHFFFAOYSA-N 312.333 -0.781 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H]2CCCN(C)C2=O)C1=O 778791314 CFCFPNBFXLXPCF-VIFPVBQESA-N 323.305 -0.873 30 20 DBED C=CCS(=O)(=O)CCNC(=O)CCSc1nnnn1C 783547635 OTVOSMPNSIFOES-UHFFFAOYSA-N 319.412 -0.591 30 20 DBED C#CCOCCNC(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O 784419504 JSWWXQPCGWDZBG-LBPRGKRZSA-N 319.365 -0.136 30 20 DBED C[C@H](C#N)OCCN1CCN(CCO[C@H](C)C#N)CC(O)C1 801936475 QFYMVGJIANRNER-ZIAGYGMSSA-N 310.398 -0.178 30 20 DBED C#C[C@H](NC(=O)C(=O)NCCCO[C@H]1CCOC1)[C@@H]1CCCO1 808274136 KMSMFXPEHNJFGU-IHRRRGAJSA-N 324.377 -0.405 30 20 DBED C#CCO[C@@H](C)C(=O)NCCS(=O)(=O)NCC1CCC1 823226794 FBLMZRJOCNQMQN-NSHDSACASA-N 302.396 -0.140 30 20 DBED CC#CCNC(=O)NCCNc1ncccc1-c1nn[nH]n1 823936976 BYQKTMZVROWGFE-UHFFFAOYSA-N 300.326 -0.004 30 20 DBED C[C@@H](C#N)OCCN1CCS(=O)(=NS(C)(=O)=O)CC1 846917690 JALBOBVQFPERDM-JTQLQIEISA-N 309.413 -0.342 30 20 DBED N#C[C@H]1CN(S(=O)(=O)N[C@@H]2CCCC23OCCO3)CCO1 851815806 SVLJHGZSARZOLY-WDEREUQCSA-N 317.367 -0.659 30 20 DBED C#CC[C@H](CO)NC(=O)[C@@H]1CCCN(S(=O)(=O)CC)C1 854546369 CWVIDOAOXFMVCV-VXGBXAGGSA-N 302.396 -0.452 30 20 DBED C#CC[C@@H](CCOC)NC(=O)Cn1cc(S(N)(=O)=O)cn1 863787880 HFDQCSUHGACCIB-JTQLQIEISA-N 314.367 -0.925 30 20 DBED C=CCCOCCNS(=O)(=O)CCS(=O)(=O)N(C)C 882019110 JUAVSSVVJHZZHS-UHFFFAOYSA-N 314.429 -0.610 30 20 DBED C#CC[C@@H](CO)NS(=O)(=O)c1ccc(CNC(C)=O)cc1 882344743 QPZJCMMHZMLWEX-ZDUSSCGKSA-N 310.375 -0.015 30 20 DBED C#CC1(O)CN(C(=O)[C@H](CO)NC(=O)Cc2ccc(F)cc2)C1 890526530 ORJKGHSARIHWTQ-ZDUSSCGKSA-N 320.320 -0.948 30 20 DBED CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NO)c1 916666914 RGKSKUWFZQEIKY-UHFFFAOYSA-N 303.340 -0.616 30 20 DBED CCN(CC)S(=O)(=O)N1CCN(C[C@H](O)CC#N)CC1 929199199 PDMMLJHAZZGYPG-GFCCVEGCSA-N 304.416 -0.535 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)c3nc[nH]n3)C2)cn1 938450772 BHFLJZOKCYCMLW-LBPRGKRZSA-N 310.317 -0.175 30 20 DBED CCN(C(=O)c1c[nH]c(=O)cn1)[C@H]1CCN(C(=O)[C@@H](C)C#N)C1 942942158 ZVAWTQLAPDBRHW-QWRGUYRKSA-N 317.349 -0.007 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2[C@H]3C[C@H]2N(C(=O)c2nc[nH]n2)C3)[nH]1 946947769 QPYBXUAMTOGREB-WHGOUJPWSA-N 311.305 -0.353 30 20 DBED C[C@@H]1C[C@@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)CCN1CC#N 947999202 WBHADNBLQFOERF-MNOVXSKESA-N 321.381 -0.191 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(NC(=O)C2CC(=O)NC(=O)C2)CC1 948098216 BAVOZDTVBFCKOM-VIFPVBQESA-N 320.349 -0.694 30 20 DBED C[C@H](C#N)C(=O)N1CCC(NC(=O)[C@]2(C)CNC(=O)C2)CC1 948106418 NQYAXCLBLYZSEG-BMIGLBTASA-N 306.366 -0.221 30 20 DBED N#CCN1CCOC2(CCN(C(=O)[C@H]3CCCC(=O)N3)CC2)C1 949391446 AVSVQAIGIDDDSR-CYBMUJFWSA-N 320.393 -0.128 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]1CNC(=O)c1ccc(C(N)=O)[nH]1 952154345 NWJQMBMIQXGPGC-DTWKUNHWSA-N 303.322 -0.396 30 20 DBED CN(C(=O)c1ccc(C#N)[nH]1)C1CN(C(=O)C(C)(C)C(N)=O)C1 954088635 VIPLZACLFHQJRG-UHFFFAOYSA-N 317.349 -0.319 30 20 DBED C[C@@H](C#N)C(=O)N1CC(N(C)C(=O)C[C@@H]2CCC(=O)NC2)C1 954452807 ICTDPHBIFFPQHM-QWRGUYRKSA-N 306.366 -0.268 30 20 DBED C=C(C)CCN1C[C@H](CNC(=O)c2cnn(C)c2N)[C@@H](O)C1 957995992 QHLBEAYKEMGDEL-AAEUAGOBSA-N 307.398 -0.009 30 20 DBED C#CCCN1C[C@H](O)[C@H](CNC(=O)c2c[nH]c(C)cc2=O)C1 958562484 GKLNCXKDLSCVMD-DOMZBBRYSA-N 303.362 -0.271 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1ccnnc1 961026397 ODRDBWSKTDWGHL-WCFLWFBJSA-N 315.333 -0.312 30 20 DBED N#CCN1CC[C@@H]([C@@H]2CCCN(C(=O)Cn3ncnn3)C2)C1 961155083 JEBJUHRZLDWDGS-CHWSQXEVSA-N 303.370 -0.243 30 20 DBED C=CCCN1C[C@H]2[C@H](NC(=O)[C@@H]3Cc4cncn4C(=O)N3)[C@H]2C1 961315157 RTBJKTFFFVMSDQ-RFQIPJPRSA-N 315.377 -0.012 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CN(C(=O)c3c[nH]c(=O)cn3)C[C@H]2C1 962229446 GUKDZWUTDJIOPF-MXWKQRLJSA-N 315.333 -0.540 30 20 DBED Cn1nc(C2CC2)nc1CC(=O)NC1[C@H]2CN(CC#N)C[C@H]12 962654138 QEULOCVZIHCVMP-QWRGUYRKSA-N 300.366 -0.195 30 20 DBED N#Cc1cc(C(=O)N[C@H]2CCCN(C(=O)C(N)=O)CC2)c[nH]1 964842724 FUGNTGZJPZZWHL-JTQLQIEISA-N 303.322 -0.517 30 20 DBED Cc1n[nH]cc1C(=O)N1CCOC2(C1)CN(C(=O)[C@@H](C)C#N)C2 965438462 RWDXWOODRUSOOE-JTQLQIEISA-N 317.349 -0.069 30 20 DBED CN1CC[C@@H](CC(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2O)C1 969066597 CFCUBUGVKONTLQ-ZNMIVQPWSA-N 319.405 -0.571 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@H](NC(=O)[C@@H]2CCC(=O)N2C)C1 969776662 IBOAGUUWRKXBBZ-WOPDTQHZSA-N 323.393 -0.493 30 20 DBED CN([C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1)[C@@H]1CCNC1=O 971367218 RHIHYSXCWYNRDX-WCQYABFASA-N 301.350 -0.079 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)[C@H]3CC(=O)N(C)C3)[C@H]2C1 976653985 QCYGZXJXNSIYLB-HKLXJQGRSA-N 304.350 -0.803 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)C(C)(C)C(N)=O)C[C@@H]2C1 986262294 ZOZODHREWLVSAA-UTUOFQBUSA-N 320.393 -0.036 30 20 DBED C[C@H]1C[C@H](NCc2nnnn2C)CN1C(=O)c1cc(C#N)c[nH]1 988504400 XVFIOGYHUNNVLF-ONGXEEELSA-N 314.353 -0.197 30 20 DBED C=CCn1cc(C(=O)NC2CN(C(=O)Cc3ccon3)C2)nn1 991673224 KKOCGLAVMOQNSC-UHFFFAOYSA-N 316.321 -0.365 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)c2ccc3c(n2)OCCO3)C1 996345810 GDHRMVSVMHKMCI-VIFPVBQESA-N 316.317 -0.047 30 20 DBED Cc1c[nH]c(CC(N)=O)c1C(=O)NC1CN(C(=O)[C@H](C)C#N)C1 1000350785 DPXYNYWAMNOZEV-MRVPVSSYSA-N 317.349 -0.549 30 20 DBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H](C)C1CN(C(=O)C(N)=O)C1 1006158390 VJYKARZZQUHDHI-DRZSPHRISA-N 323.393 -0.194 30 20 DBED C=CCn1cc(C(=O)N2CCN(C(=O)c3cn[nH]c3)CC2)nn1 1010451061 JNBKZJNMTAASIB-UHFFFAOYSA-N 315.337 -0.215 30 20 DBED O=C1NC[C@@H](C(=O)N[C@@H]2CCN(CC#Cc3ccccc3)C2)N1 1015634595 MVEPCWUYLNKESC-CABCVRRESA-N 312.373 -0.090 30 20 DBED C=CCN1CC[C@@H](N2CC[C@@H](NC(=O)c3cnon3)C2)C1=O 1015877520 WHFQHDYSCULQRP-ZYHUDNBSSA-N 305.338 -0.339 30 20 DBED N#CCN1CCC2(CC1)C[C@H]2NC(=O)CN1CC(=O)NC1=O 1016881758 HVXMKZONEKZDDN-SNVBAGLBSA-N 305.338 -0.968 30 20 DBED C[C@H](C#N)C(=O)N1CC=C(CNC(=O)c2c[nH]c(=O)cn2)CC1 1017681918 DLYLXDRYBRHPFR-SNVBAGLBSA-N 315.333 -0.182 30 20 DBED C#CCN[C@H]1CCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1 1019378216 PFDYTNVSTXSDHW-ZNMIVQPWSA-N 319.405 -0.020 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H](NCCn3cncn3)C2)nn1 1019482126 HJFXFKJFZHBQJW-LBPRGKRZSA-N 316.369 -0.440 30 20 DBED O=C(C[C@@H]1CCOC1)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1023260107 GXOVFBKHLAEBQQ-BFHYXJOUSA-N 306.362 -0.486 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)Cn3cncn3)C[C@H]2O)C1 1025546120 WJMZIANFGUYRJG-VXGBXAGGSA-N 319.365 -0.678 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2CN(C(=O)COC)C[C@H]2O)c1 1025551600 LQANCVWYPVECOO-CHWSQXEVSA-N 303.318 -0.989 30 20 DBED Cc1c[nH]c(CC(N)=O)c1C(=O)NC[C@@H]1CCN(CC#N)C1 1028818609 VAWTXVOCBQVWFI-NSHDSACASA-N 303.366 -0.074 30 20 DBED CC#CCN1CC[C@@H]2CN(C(=O)c3nnc(O)nc3O)CC[C@H]21 1036762451 KBDVIZTUBCCIGN-GHMZBOCLSA-N 317.349 -0.158 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)c2csnn2)C1 1040373627 CRCHZNWIUWKZOC-QPUJVOFHSA-N 309.351 -0.609 30 20 DBED N#Cc1cnc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCCO3)C2)cn1 1040975033 HDNDHZLMJAHZJY-JHJVBQTASA-N 317.349 -0.417 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@H](C)CC)C1 1041561090 XHEOFVQKFGGJRL-KGLIPLIRSA-N 321.421 -0.180 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(O)(CNC(=O)C[C@@H](C)OC)C1 1041938689 WIDDFQFKLIVPAV-RISCZKNCSA-N 314.382 -0.572 30 20 DBED CC#CCN1CC[C@H]2CCN(C(=O)Cn3ncn(C)c3=O)C[C@@H]21 1042122184 NAQJTYOYJHRWRB-KBPBESRZSA-N 317.393 -0.472 30 20 DBED C[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1NC(=O)Cc1nc[nH]n1 1042191596 TXSUWHFDYFTSCZ-MWLCHTKSSA-N 312.337 -0.350 30 20 DBED Cc1nc[nH]c1C(=O)N1CC(O)(CNC(=O)C#CC(C)C)C1 1042943311 ODENJVOZFLIWGV-UHFFFAOYSA-N 304.350 -0.319 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)[C@@]2(CC)CCNC2=O)C1 1043659690 SWHPVFSNKPNRRT-INIZCTEOSA-N 323.393 -0.442 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)[C@@]2(F)CCOC2)C1 1045137213 CTQMNQYTVPCXLM-CQSZACIVSA-N 316.329 -0.993 30 20 DBED C=CCN1CC[C@H](N2CCN(C(=O)Cc3nc[nH]n3)CC2)C1 1046078705 MFKUMWCXFGZSDB-ZDUSSCGKSA-N 304.398 -0.248 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)[C@]2(C)CCC(=O)N2)C1 1046202322 FTADZOKHCCGTDV-AWEZNQCLSA-N 309.366 -0.689 30 20 DBED C=C(C)CN1C[C@H](O)[C@@H](N(C)C(=O)[C@]2(C)CCNC(=O)C2)C1 1047428177 CIUGGEWQZNNYLI-HEHGZKQESA-N 309.410 -0.018 30 20 DBED CN(C(=O)c1cnn2c1CCCC2)[C@H]1CN(CC#N)C[C@@H]1O 1047586511 XTTYALINBVAZSS-KBPBESRZSA-N 303.366 -0.140 30 20 DBED C[C@@H]1CCN(C(=O)C(N)=O)[C@H](CNc2ccc(C#N)nn2)C1 1048317472 SOIGSUUWWWEBOO-KOLCDFICSA-N 302.338 -0.127 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CC(=O)NCC)C1 1048714257 DNWMPAOYSBSEEK-RYUDHWBXSA-N 311.382 -0.491 30 20 DBED Cc1c(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)C#N)C2)cnn1C 1049389536 YTMQFDIHPDPIIT-XDTLVQLUSA-N 319.365 -0.468 30 20 DBED C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)CN1CCNC(=O)C1 1049638356 LGXCEXAFONMUGH-KGLIPLIRSA-N 304.394 -0.883 30 20 DBED C[C@@H]1[C@@H](NC(=O)[C@@H]2COCCO2)CCN1c1cnc(C#N)cn1 1050065013 IFYCSISDMOTDQG-WXHSDQCUSA-N 317.349 -0.153 30 20 DBED Cc1nnc(O)c(C(=O)NC[C@H]2COCCN2CC#N)c1C 1051058865 WEPLQAXWTOSJCL-NSHDSACASA-N 305.338 -0.247 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)c1cc(C(N)=O)cs1 1051259083 UHXRBHPPJCLTCE-LLVKDONJSA-N 307.375 -0.089 30 20 DBED C=CCOCCCC(=O)N1C[C@@H](C)[C@@H](CNC(=O)C(N)=O)C1 1052312981 GQWRQTZYSBFIQH-NEPJUHHUSA-N 311.382 -0.335 30 20 DBED C=CCN1CC2(C1)CN(C(=O)[C@@H]1CCc3nncn3C1)CCO2 1053541137 UDDCKFPATNYIST-CYBMUJFWSA-N 317.393 -0.060 30 20 DBED C=CCCCC(=O)N1C[C@H]2CN(C(=O)CNC(N)=O)C[C@H]2C1 1055157444 AWNACMKUCYYJGP-TXEJJXNPSA-N 308.382 -0.072 30 20 DBED C#CCOCCC(=O)N1CCC[C@](CO)(NC(=O)C(F)F)C1 1055682766 NNUHQFYHQRHWHO-AWEZNQCLSA-N 318.320 -0.239 30 20 DBED N#Cc1cnccc1N1CCN(C(=O)CCn2cnnn2)CC1 1055882995 QAYVHQASLWTWTJ-UHFFFAOYSA-N 312.337 -0.321 30 20 DBED Cn1nccc1CC(=O)NC1[C@H]2CN(c3ccc(C#N)nn3)C[C@H]12 1056174759 XLVBZIZBGXTYKX-STQMWFEESA-N 323.360 -0.125 30 20 DBED Cc1nonc1C(=O)NC1[C@@H]2CN(c3ccnc(C#N)n3)C[C@@H]12 1056242971 RQZJODYSNGDTOQ-RKDXNWHRSA-N 311.305 -0.096 30 20 DBED C=CCCOCC(=O)NCCN(CCO)C(=O)[C@@H]1CCCO1 1056898796 VMMKVKYUEVFNLV-ZDUSSCGKSA-N 314.382 -0.305 30 20 DBED N#Cc1nccc(N2CCC[C@@H](NC(=O)[C@@H]3CCNC3=O)C2)n1 1058220973 QOSBTSIERIYXRB-GHMZBOCLSA-N 314.349 -0.431 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)c1cccnn1 1058529380 DWVJJPHXNHMHNT-UHFFFAOYSA-N 304.350 -0.313 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)CC1OCCCO1 1058652623 BHEBAONEXPZBHO-NSHDSACASA-N 313.354 -0.764 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)C[C@@H]1COC(=O)C1 1058653054 LHQXWQXVRSBXQG-MNOVXSKESA-N 311.338 -0.964 30 20 DBED CCc1nn(C)cc1C(=O)NCCN(CCO)C(=O)[C@H](C)C#N 1058658640 HZBHKOQDBLNBCQ-LLVKDONJSA-N 321.381 -0.307 30 20 DBED Cn1oc(C(=O)N2CC[C@H](Nc3cnc(C#N)cn3)C2)cc1=O 1058856248 ZATWQAIWVFAZOM-VIFPVBQESA-N 314.305 -0.033 30 20 DBED O=C(C#CC1CC1)NCC[C@@H]1CCN(C(=O)Cn2ncnn2)C1 1059696023 XXPVZSJSNKLDJZ-CYBMUJFWSA-N 316.365 -0.559 30 20 DBED N#Cc1nc(=NC[C@H]2CCCCN2C(=O)c2cnn[nH]2)cc[nH]1 1060322814 YWZZDIYFDXTBKP-SNVBAGLBSA-N 312.337 -0.005 30 20 DBED COCCC(=O)N1CCOC[C@@H]1CNC(=O)CSCC#N 1061319212 CBLWGNMAUJYWMI-NSHDSACASA-N 315.395 -0.377 30 20 DBED C#CCCCC(=O)NC[C@H]1COCCN1C(=O)[C@@H](C)CC(N)=O 1061534342 MBZMMLXOTRPYHC-STQMWFEESA-N 323.393 -0.355 30 20 DBED C=CCCOCC(=O)NC[C@@H]1COCCN1C(=O)COC 1061666723 QKKHQVRELXNLJK-GFCCVEGCSA-N 300.355 -0.431 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)c1cncnc1O 1061853694 UPBMRHXWHNAOCR-ZJUUUORDSA-N 319.321 -0.701 30 20 DBED Cc1cc(C#N)nc(N2C[C@@H]3C[C@H]2CN3C(=O)Cn2cncn2)n1 1062490863 UAIFJPMILBLXSL-STQMWFEESA-N 324.348 -0.262 30 20 DBED C=C[C@@](C)(O)CC(=O)NC1(CNC(=O)[C@H]2CCC(=O)N2)CCC1 1062706896 FHBZTBPMJVXGMN-IAQYHMDHSA-N 323.393 -0.253 30 20 DBED N#Cc1nccnc1N1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1cncnc1O 1064310488 WODZNMIODQDMHH-JFUSQASVSA-N 323.316 -0.149 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)[C@H](O)C(C)C)CCO1 1065113491 JJRXEUWQVFPRSE-TZMCWYRMSA-N 314.382 -0.451 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CCCN(C(=O)[C@@H](C)OC)CC1 1066069683 UKRNASIEJHVLEX-OLZOCXBDSA-N 323.393 -0.342 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H]1CCC2(CN(C(=O)CC)C2)O1 1068560786 YYCYWMXJTKRYES-LBPRGKRZSA-N 321.377 -0.588 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)[C@H](C)CC(N)=O)CCOCC1 1070186477 ZRICMBILBRGNCL-GHMZBOCLSA-N 324.381 -0.561 30 20 DBED C=C[C@@](C)(CC)C(=O)NCC1(NC(=O)C(N)=O)CCOCC1 1070228524 DCWZZJHSFXYYRY-AWEZNQCLSA-N 311.382 -0.144 30 20 DBED N#CCSCC(=O)N1CCC[C@@H](NC(=O)c2cnn[nH]2)C1 1070454899 VSOFJSPJYRCUKE-SECBINFHSA-N 308.367 -0.218 30 20 DBED C#Cc1ccc(C(=O)N2CCC[C@@H](NC(=O)CC(N)=O)C2)nc1 1071043323 FDBHZFSVZCSLAH-GFCCVEGCSA-N 314.345 -0.341 30 20 DBED C#CCCN1CC[C@@]2(C1)CN(C(=O)Cn1cnnn1)C[C@H](C)O2 1071134691 WHDZTBFXABYXBM-DZGCQCFKSA-N 318.381 -0.612 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CN(C(=O)C(C)(F)F)C[C@@H]1C 1071464472 CYKXCXBWCLMTEL-UWVGGRQHSA-N 315.320 -0.256 30 20 DBED C#CCCCCC(=O)N[C@@H]1CN(C(=O)CNC(N)=O)C[C@@H]1C 1071573824 HWNRFCYJFWWXCG-NWDGAFQWSA-N 308.382 -0.189 30 20 DBED C=CCOCC(=O)N1C[C@H](C)[C@H](NC(=O)CC(=O)N(C)C)C1 1071812412 RXSQLNCDOQDSDW-NWDGAFQWSA-N 311.382 -0.370 30 20 DBED CC#CCN1CCC2(C1)CN(C(=O)[C@H]1CCS(=O)(=O)N1)C2 1073438859 DPCAHJWMXJREJD-GFCCVEGCSA-N 311.407 -0.764 30 20 DBED C#CCCN1CCCO[C@@H](CNC(=O)c2ccc(C(N)=O)[nH]2)C1 1073766639 KGJYRFVTDWLRKV-LBPRGKRZSA-N 318.377 -0.042 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CCN(C(=O)CC(=O)N(C)C)CC1 1074592582 WLMKQLATHFDVDQ-NSHDSACASA-N 324.381 -0.906 30 20 DBED C[C@H]1[C@@H](N[C@H]2CCNC2=O)CCN1C(=O)c1c[nH]c(C#N)c1 1074613634 AWHQCUFQEQJRPG-XDTLVQLUSA-N 301.350 -0.033 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(C(=O)CNC(N)=O)[C@H](C)C1 1074891893 MARVKNOZSJEHDA-GHMZBOCLSA-N 312.370 -0.647 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)[C@@H]1CCCOC1 1076218882 KBTGEXHUISJCMB-QWHCGFSZSA-N 323.393 -0.437 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)C[C@H](C)OC 1076218930 LYUDGEWOTSWYAW-RYUDHWBXSA-N 311.382 -0.438 30 20 DBED C[C@@H](CCNC(=O)C#CC(C)(C)C)NC(=O)Cn1ncnn1 1076434087 DZMFOUHJGKSOAD-NSHDSACASA-N 306.370 -0.266 30 20 DBED C=C(C)CN1C[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)[C@@H]2C1 1076544120 QASCOBRVWRDIEA-NWDGAFQWSA-N 306.366 -0.353 30 20 DBED C=CCCN1C[C@@H]2CCN(C(=O)CN3C(=O)CN(C)C3=O)[C@@H]2C1 1076545386 ZNEAIWKBMNXTFL-QWHCGFSZSA-N 320.393 -0.011 30 20 DBED C=CCCC(=O)N[C@@H](C)CCNC(=O)Cn1c(O)nnc1O 1077680145 TWGLISZOHXTAQL-VIFPVBQESA-N 311.342 -0.334 30 20 DBED C#CCOCCC(=O)N[C@@H](C)CCNC(=O)[C@@H]1CN(C)C(=O)N1 1077738804 OXOUDHCDFRJJNH-RYUDHWBXSA-N 324.381 -0.939 30 20 DBED C=CCOCC(=O)N[C@@H](C)CCNC(=O)CCn1cnnn1 1078023426 XOJVVLFBPXWGAZ-NSHDSACASA-N 310.358 -0.723 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H](C)CCNC(=O)c1c[nH]c(=O)cn1 1078077248 RNAXKZRGGHMJER-BONVTDFDSA-N 322.365 -0.278 30 20 DBED C=CCCCC(=O)NCC[C@H](C)NC(=O)C[C@@H]1NC(=O)NC1=O 1078099407 IPBUBQOCIRGMDM-QWRGUYRKSA-N 324.381 -0.048 30 20 DBED N#CCN[C@H]1C[C@@H](NC(=O)c2nccnc2C(N)=O)C12CCC2 1078804287 TYSWVQXJQPHTIP-VHSXEESVSA-N 314.349 -0.270 30 20 DBED C#CCC1(C(=O)N(CC)C2CN(C(=O)CNC(N)=O)C2)CCC1 1079889401 WCSXBLUKCBFFRU-UHFFFAOYSA-N 320.393 -0.092 30 20 DBED CCN(CC1CCN(C(=O)CNC(N)=O)CC1)C(=O)[C@@H](C)C#N 1081047165 REBCDGHPGNVVLR-NSHDSACASA-N 323.397 -0.099 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)CC2(O)CCC2)C[C@H]1O 1081463345 LWKQETKJXDCZCD-UONOGXRCSA-N 322.405 -0.114 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@H](CNC(=O)Cn2cncn2)C1 1081788867 QLXINXARPIYPMU-OLZOCXBDSA-N 319.365 -0.983 30 20 DBED Cn1ncc(CCC(=O)N2CCO[C@@H]3CN(CC#N)C[C@@H]32)n1 1083195110 CEKHIBBIWSNSFY-QWHCGFSZSA-N 304.354 -0.817 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1noc2c1COCC2 1083280286 MCVKGLRIEZUKJP-GXTWGEPZSA-N 317.345 -0.094 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 1083459556 PUHQLDOCWHZTJU-UHTWSYAYSA-N 319.365 -0.890 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2cn(C3CCOCC3)nn2)C1 1083928525 YMUJBPCEZDOYPE-OCCSQVGLSA-N 319.365 -0.962 30 20 DBED CC(C)C(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1CN(CC#N)C[C@@H]1O 1084085318 RANPEPVBGAHKPC-MCIONIFRSA-N 322.409 -0.292 30 20 DBED C=C(C)CN[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1c1cnn(C)c1 1086971864 IYEZQNQVRYNHNX-QWHCGFSZSA-N 305.382 -0.244 30 20 DBED CCN(c1ccc(C#N)nc1)[C@H](C)CNC(=O)Cn1ncnn1 1089698573 SGNHIFITTRGAIW-LLVKDONJSA-N 314.353 -0.029 30 20 DBED COCC[C@@H](C)C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1O 1090427819 BVICBXJANBYZJS-IJLUTSLNSA-N 319.365 -0.313 30 20 DBED C=C(C)CCN1CC[C@@H](NC(=O)c2cn(C)c(=O)cn2)[C@H](O)C1 1090443786 ZRBXTPVJHKLAMZ-TZMCWYRMSA-N 320.393 -0.089 30 20 DBED C=CCCN1CC[C@@H](NC(=O)c2cccnc2C(N)=O)[C@H](O)C1 1090824342 MGEKCIAURHPJMK-CHWSQXEVSA-N 318.377 -0.078 30 20 DBED CC(=O)N(C)CC(=O)N[C@H]1CCN(c2ccnc(C#N)n2)[C@@H]1C 1091933720 QVGBAAMNJATHKL-PWSUYJOCSA-N 316.365 -0.090 30 20 DBED COC(=O)NCC(=O)N[C@H]1CCN(c2cnc(C#N)cn2)[C@@H]1C 1091942205 PWCBGGFJMBJCJH-KOLCDFICSA-N 318.337 -0.212 30 20 DBED N#Cc1nc(=NC2CC(CNC(=O)CCCC(N)=O)C2)cc[nH]1 1092227722 RGPNBVQFNLQUJR-UHFFFAOYSA-N 316.365 -0.268 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)[C@@H]3COCCO3)c3nccn32)C1 1092343028 CCEGRGUXYKVPTJ-STQMWFEESA-N 316.361 -0.496 30 20 DBED N#Cc1nccnc1NCCNC(=O)[C@@H]1CCNC(=O)CC1 1094024262 WYWNIHPIXFZFJU-JTQLQIEISA-N 302.338 -0.207 30 20 DBED N#Cc1nc(=NCCNC(=O)CN2CCCCC2=O)cc[nH]1 1094256716 FVMKUSAGAOAYPQ-UHFFFAOYSA-N 302.338 -0.689 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)c3nonc3C)CC2=O)C1 1094824366 GFZQHHBHGFRNNK-SNVBAGLBSA-N 305.338 -0.421 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](N(C)c2ccnc(C)n2)C1 1095111398 SFOZCISBSBWLQS-CYBMUJFWSA-N 315.377 -0.038 30 20 DBED CS(=O)(=O)CC(=O)N[C@@H]1CCCN(c2nccnc2C#N)C1 1096152032 NOFPFPZZXCTGCP-SNVBAGLBSA-N 323.378 -0.522 30 20 DBED Cc1cc(C#N)nc(N[C@H]2C[C@H](NC(=O)CS(C)(=O)=O)C2)n1 1096995763 IFAAMGOHVFUEFT-MGCOHNPYSA-N 323.378 -0.240 30 20 DBED C[C@H](CNC(=O)C[C@@H]1CCC(=O)N1)N=c1cc[nH]c(C#N)n1 1097950260 LYPUMDYZOLAOOY-ZJUUUORDSA-N 302.338 -0.645 30 20 DBED CC#CCN(CCO)C1CCN(C(=O)C[C@H](C)NC(N)=O)CC1 1098368660 FZUQWAOEMXDJTE-ZDUSSCGKSA-N 324.425 -0.258 30 20 DBED C#CCN(CCO)C1CCN(C(=O)c2cnc(O)n2C)CC1 1098448725 ORFAOCPYEOZZNX-UHFFFAOYSA-N 306.366 -0.342 30 20 DBED N#CCN1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CC(=O)NC2=O)C1 1099188286 GPFPCYOMEGQUHD-ZETOZRRWSA-N 304.350 -0.467 30 20 DBED C[C@@H](CCNC(=O)[C@@H]1CCC(=O)N1)N=c1cc[nH]cc1C#N 1099362596 ZILOTWIDTUQJAS-GWCFXTLKSA-N 301.350 -0.040 30 20 DBED C=CCOCC(=O)N1C[C@H]2CC[C@H]1[C@@H]1CN(CC(N)=O)C[C@@H]21 1099447121 ZVSYCRSGPHECEL-RQJABVFESA-N 307.394 -0.157 30 20 DBED C[C@H](CCNC(=O)[C@@H]1CN(C)C(=O)N1)Nc1nccnc1C#N 1099617586 VZRWSHLGUDCADF-KOLCDFICSA-N 317.353 -0.321 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(CCc2ccnn2C)C[C@H]1O 1099738557 PPJGVNFJFDSSLQ-LSDHHAIUSA-N 322.409 -0.283 30 20 DBED C#CCN1CC[C@H](NC(=O)CCc2c(C)ncnc2O)[C@H](O)C1 1099904223 RWYNLOLMWAHNLD-UONOGXRCSA-N 318.377 -0.392 30 20 DBED CC(C)(C)C(=O)NCCC(=O)N[C@H]1CCN(CC#N)C[C@H]1O 1099942392 RBRMSEHVAOWZRX-NWDGAFQWSA-N 310.398 -0.386 30 20 DBED C=CC(C)(C)C(=O)N[C@H]1CCN(Cc2nnnn2C)C[C@H]1O 1099945029 TUDPEHZQAWGZRO-WDEREUQCSA-N 308.386 -0.526 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2cnc(C)n2C)[C@H](O)C1 1099964706 QQTDZCUFYSPWLQ-UKRRQHHQSA-N 320.393 -0.457 30 20 DBED C=C1CC(C)(C(=O)N[C@H]2CCN(CC(=O)NC(N)=O)C[C@H]2O)C1 1099994930 YTWQEFFWWCBJFH-WDEREUQCSA-N 324.381 -0.911 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)c2c[nH]nc2C)C1 1100553920 PIFKTYNTGFEEAN-UHFFFAOYSA-N 303.366 -0.434 30 20 DBED CC(=O)NCC(=O)NC[C@H]1CCCN1c1ccnc(C#N)n1 1100770423 RNKSDODKBPIODU-LLVKDONJSA-N 302.338 -0.431 30 20 DBED C=CCCOCC(=O)NCC1CC(NCc2nc(=O)n(C)[nH]2)C1 1101053334 SFZZIHZYRACNPR-UHFFFAOYSA-N 323.397 -0.315 30 20 DBED C[C@H](NC(N)=O)C(=O)NCCN(c1ccc(C#N)nn1)C1CC1 1101326879 ASQLBUYOKGKUEM-VIFPVBQESA-N 317.353 -0.510 30 20 DBED CN(C)C(=O)CC(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(C#N)cn1 1102574433 QZUMBMGLJCQCST-RYUDHWBXSA-N 314.349 -0.384 30 20 DBED N#Cc1nccc(N2CCCC[C@@H](NC(=O)CNC(N)=O)C2)n1 1102841022 ZBOUEUQUQUYESR-SNVBAGLBSA-N 317.353 -0.508 30 20 DBED CC[C@H](CNC(=O)[C@@H]1CCC(=O)N1)Nc1ccc(C#N)nn1 1103144136 PVSNSVGCYBIFBT-KOLCDFICSA-N 302.338 -0.066 30 20 DBED C[C@H](CNC(=O)c1cn(C)nn1)CNc1cnc(C#N)cn1 1103927818 UFGUUINKIDDGAT-VIFPVBQESA-N 300.326 -0.045 30 20 DBED C[C@H](CNc1ccc(C#N)nn1)N(C)C(=O)[C@@H]1COC(=O)N1 1104546080 XHSKQLSMNFFXLH-SCZZXKLOSA-N 304.310 -0.285 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H](O)CNc2cncc(C#N)n2)c1 1105807705 FMGAJHDROAGCAT-LLVKDONJSA-N 311.305 -0.249 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H](O)CNC(=O)CO[C@H]1CCOC1 1105972831 QMUPETAPWIBMGD-STQMWFEESA-N 320.349 -0.930 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)C[C@H]2CCNC2=O)cn1 1106002498 ITHTVICXLPQTFO-MFKMUULPSA-N 317.349 -0.632 30 20 DBED C[C@@H]1OCCO[C@@H]1C(=O)NC[C@H](O)CNc1nccnc1C#N 1106160360 ATMOZBYVFSZBBX-UMNHJUIQSA-N 321.337 -0.959 30 20 DBED C=CCNC[C@@H]1CN(C(=O)CN2CC(=O)N(C)C2=O)C[C@H]1C 1106871992 ZJTYLCIWYSFNAA-VXGBXAGGSA-N 308.382 -0.250 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)[C@@]2(COC)CCOC2)C1 1108099391 KVVDKAFFXJMFKF-JKSUJKDBSA-N 310.394 -0.120 30 20 DBED Cc1cc(C#N)nc(NC[C@H](C)NC(=O)[C@@H]2COCCO2)n1 1108277671 UABIODSJWFTVOZ-JQWIXIFHSA-N 305.338 -0.011 30 20 DBED CC#CCN1CC(N2C[C@H](NC(=O)[C@@H](C)OCC)CC2=O)C1 1108513133 BCOSVLQHHVDAHQ-CHWSQXEVSA-N 307.394 -0.164 30 20 DBED N#CCN1CC(N2C[C@H](NC(=O)COC3CCCC3)CC2=O)C1 1108513161 BSZPSWBMNAPNIT-GFCCVEGCSA-N 320.393 -0.130 30 20 DBED N#CCN1CC(N2C[C@@H](NC(=O)CC[C@@H]3CCOC3)CC2=O)C1 1108533803 CRCCKVPYHAJCOA-OLZOCXBDSA-N 320.393 -0.272 30 20 DBED C[C@H](NC(N)=O)C(=O)N[C@H](C)CN(C)c1ccncc1C#N 1108915591 PKNAICPPWMFBEE-ZJUUUORDSA-N 304.354 -0.049 30 20 DBED C[C@H](CN(C)c1cncc(C#N)n1)NC(=O)COCCN(C)C 1109039341 NDAJQJQSDYWOPF-GFCCVEGCSA-N 320.397 -0.133 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H](CC)OC 1109041933 CXVFFPMYENDFBL-RFGFWPKPSA-N 307.394 -0.118 30 20 DBED CCC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC#N)S(N)(=O)=O 1109560804 SGFDLVRNOIJLMU-RHYQMDGZSA-N 314.411 -0.311 30 20 DBED CN1C[C@@H](C(=O)N(C)CCCNc2cncc(C#N)n2)NC1=O 1109578853 SDOYZTZHUHVMCL-NSHDSACASA-N 317.353 -0.368 30 20 DBED CS(=O)(=O)CC(=O)N[C@@H]1[C@H]2C[C@H]1N(c1ccc(C#N)nn1)C2 1109693587 YBHOEYLTEAMHKZ-IYYTYJHQSA-N 321.362 -0.914 30 20 DBED CC(=O)N(C)CC(=O)NCC1(Nc2ccnc(C#N)n2)CC1 1110065328 KKNVSIDTQPXGNF-UHFFFAOYSA-N 302.338 -0.113 30 20 DBED C=CCNC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cnn[nH]1 1110761503 ZCDMHDRUQBPFNW-WGBDABJCSA-N 318.381 -0.170 30 20 DBED CC[C@H](OC)C(=O)NC[C@]1(O)CCN(c2ccnc(C#N)n2)C1 1111043317 CLHMBYLTLLLKGC-XHDPSFHLSA-N 319.365 -0.169 30 20 DBED Cc1cc(NCCN(CCO)C(=O)C#CC2CC2)nc(CO)n1 1111463653 GFVZLKRXBDVBOG-UHFFFAOYSA-N 318.377 -0.076 30 20 DBED C[C@H](C#N)C(=O)N(C)CCCN(C)c1nccn2nnnc12 1112061558 DAFOVIJTNXDIDS-SNVBAGLBSA-N 302.342 -0.036 30 20 DBED CC(=O)NCC(=O)NC[C@@H]1CN(c2ncccc2C#N)C[C@@H]1O 1112695576 WNUCUPCAMTWYLQ-OLZOCXBDSA-N 317.349 -0.997 30 20 DBED Cc1nccc(N2C[C@@H](O)[C@H](CNC(=O)CSCC#N)C2)n1 1112727015 YVQRJGKSQAEXKF-VXGBXAGGSA-N 321.406 -0.045 30 20 DBED C#CCOCCC(=O)NC[C@H]1CN(c2nccnc2F)C[C@H]1O 1112739424 YVPMDNOFXCWRJA-NWDGAFQWSA-N 322.340 -0.431 30 20 DBED CC(C)C#CC(=O)N1CCN(CCN2C(=O)CNC2=O)CC1 1112834644 XVFPBFSBLVRPDF-UHFFFAOYSA-N 306.366 -0.658 30 20 DBED Cc1cc(=N[C@@H](C)[C@H](C)NC(=O)CNC(N)=O)c(C#N)c[nH]1 1112893911 CQMPFALHFLLRDZ-UWVGGRQHSA-N 304.354 -0.343 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3occc3C)[C@H]2C1 1113854705 MHPQTWBSHWYQDY-RYUDHWBXSA-N 301.346 -0.003 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)CCn3cccn3)[C@H]2C1 1113876430 QTYUVEUBQZFLDA-VIKVFOODSA-N 315.377 -0.931 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)[C@@H]3CCNC(=O)C3)[C@H]2C1 1114137020 QXMXRBHGPFEWEZ-CXTNEJHOSA-N 305.378 -0.791 30 20 DBED COC[C@H](O)CN1C[C@@H]2C(NC(=O)c3c[nH]c(C#N)c3)[C@H]2C1 1114148573 ITHPZOCFMGIAHR-AGIUHOORSA-N 304.350 -0.446 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)CC3(O)CCC3)[C@H]2C1 1114239990 PJYIDZKLELTTRW-RYUDHWBXSA-N 305.378 -0.913 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)Cc3ccn(C)n3)[C@@H]2C1 1114246351 RSHWGMPMQLRXDL-ZIAGYGMSSA-N 302.378 -0.341 30 20 DBED CC(C)(C)C#CC(=O)NC1[C@@H]2CN(CC(=O)NC(N)=O)C[C@@H]12 1114256103 UANPTRHJRFVJBN-NXEZZACHSA-N 306.366 -0.723 30 20 DBED C#CCO[C@H](C)C(=O)NC1[C@@H]2CN(Cc3cnnn3C)C[C@@H]12 1114270417 FDZYYGAAKCJUBU-RAIGVLPGSA-N 303.366 -0.600 30 20 DBED CN(CC(=O)NC1[C@H]2CN(CC(=O)NCC#N)C[C@H]12)C1CCC1 1114411732 JVOHKZHRUTZZPM-STQMWFEESA-N 319.409 -0.843 30 20 DBED C[C@@H](CN(C)C(=O)CCNC(N)=O)Nc1ccc(C#N)nn1 1115727225 HBUZESSAWNPODQ-VIFPVBQESA-N 305.342 -0.335 30 20 DBED CNC(=O)CCCNC(=O)N(C)CCCc1[nH]nc(N)c1C#N 1116517302 GKTUVRLDWUJUEO-UHFFFAOYSA-N 321.385 -0.036 30 20 DBED N#Cc1cncc(N[C@@H](CO)CNC(=O)C23CCN(CC2)C3)n1 1121805537 CHYZNIOCZZUGQX-GFCCVEGCSA-N 316.365 -0.667 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)CO[C@@H]2CCOC2)cn1 1122070821 OISZXGZUDOXMHA-UONOGXRCSA-N 320.349 -0.352 30 20 DBED Cc1nc(O)[nH]c1C(=O)NC[C@@H](CO)Nc1ncccc1C#N 1122158265 LASFOUUGNCLSLH-JTQLQIEISA-N 316.321 -0.107 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)[C@@H](C)SC 1123941558 BDOKDQFOPCMMKD-SECBINFHSA-N 302.400 -0.545 30 20 DBED Cc1cc(=NC[C@H](O)CN(C)C(=O)c2cc[nH]n2)c(C#N)c[nH]1 1124046672 PEGYKLLNDDDOEU-LBPRGKRZSA-N 314.349 -0.048 30 20 DBED C[C@@H](C#N)C(=O)N(C)C[C@@H](O)CNc1ncnc2c1cnn2C 1124191708 OUJLOMUNYYBJAN-UWVGGRQHSA-N 317.353 -0.246 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)CSCCC 1124197960 QWQMOUCYMDJMNK-UHFFFAOYSA-N 316.427 -0.153 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]cc1C#N)C(=O)CC(C)(C)O 1124290794 VEZLFSUFFNXLAP-GFCCVEGCSA-N 306.366 -0.233 30 20 DBED CC[C@H](C(=O)N(C)C[C@H](O)CNc1nccnc1C#N)N(C)C 1124453365 AGBDEPOSMSOYCP-DGCLKSJQSA-N 320.397 -0.080 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]cc1C#N)C(=O)c1ncccn1 1124456536 WYOILLAJZVRZRP-GFCCVEGCSA-N 312.333 -0.290 30 20 DBED Cc1nc(NC[C@@H](O)CN(C)C(=O)c2nc[nH]n2)ccc1C#N 1124460198 IRHBGCYALJJOOM-LLVKDONJSA-N 315.337 -0.075 30 20 DBED Cc1n[nH]cc1C(=O)N(C)C[C@H](O)CNc1nccnc1C#N 1124627912 KWLAHSGEIIMSDG-SNVBAGLBSA-N 315.337 -0.075 30 20 DBED CN(C[C@H](O)CN(C)c1cncc(C#N)n1)C(=O)c1cocn1 1124989344 UVKWEAFTJZQEDP-LLVKDONJSA-N 316.321 -0.094 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)c1c[nH]c(C#N)c1 1125988271 SPNJMXSJHURHTB-UHFFFAOYSA-N 318.337 -0.782 30 20 DBED C#CCCCC(=O)N[C@@H]1CN([C@@H](C)C(N)=O)C[C@@H]1n1ccnn1 1128939342 LRPHEHMVJLGWCR-XQQFMLRXSA-N 318.381 -0.703 30 20 DBED C#CCN[C@@H]1CN(C(=O)CC(=O)N(C)C)C[C@H]1c1cn(C)cn1 1130689528 BTTVERZLSGUREO-GXTWGEPZSA-N 317.393 -0.584 30 20 DBED C#CCN[C@@H]1CN(C(=O)CC(=O)N(C)C)C[C@H]1c1cncn1C 1131084263 PSOFUFKMAVWPDL-CHWSQXEVSA-N 317.393 -0.584 30 20 DBED C#CCCN1C[C@H]2C[C@H]3CN(C(=O)CN(C)C(C)=O)C[C@@]3(C1)O2 1131193903 GKVQTBACHIABLY-ZMSDIMECSA-N 319.405 -0.210 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)COCCN(C)C)C[C@@]3(C1)O2 1131285737 GGRXESCAHNBOEA-BFYDXBDKSA-N 321.421 -0.501 30 20 DBED C#CCNC(=O)CN1C[C@H](NC(=O)Cc2cnc[nH]2)CC[C@H]1C 1132322649 URWHCNBZOINURC-CHWSQXEVSA-N 317.393 -0.329 30 20 DBED CCS(=O)(=O)NCC(=O)N1CC[C@@H](C)[C@H](CNCC#N)C1 1132865511 NVGBOKFWICPOLY-VXGBXAGGSA-N 316.427 -0.477 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)c1ccn(C)n1 1146322767 JZMOCERPUKXAQL-VXGBXAGGSA-N 305.382 -0.344 30 20 DBED C=CCO[C@H](C)C(=O)N1CC2(CCN(CC(=O)NC(N)=O)C2)C1 1148881819 XUEJZJSQVMDMBG-LLVKDONJSA-N 324.381 -0.693 30 20 DBED C=CCCOCC(=O)NCCNCCNC(=O)NC(C)C 1153086346 XDXJEAXFLQPTGW-UHFFFAOYSA-N 300.403 -0.008 30 20 DBED C=CCn1cc(C(=O)NCCCN[C@H]2CCCNC2=O)nn1 1167838573 HIGLJDLXXAMPMH-NSHDSACASA-N 306.370 -0.548 30 20 DBED C[C@H](CCCCNCC(=O)NCC#N)NC(=O)c1cnccn1 1168915194 ZFVMHBODJYQGCC-GFCCVEGCSA-N 318.381 -0.005 30 20 DBED C=CCNC(=O)CNCCCC[C@H](C)NC(=O)c1cnn[nH]1 1171657017 DWRADYVILGNFCB-NSHDSACASA-N 308.386 -0.015 30 20 DBED C[C@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)C1CCC(O)CC1 1178573159 ZLCFDKRHVFBWME-ABXWRUBCSA-N 322.409 -0.244 30 20 DBED C#CCCCCC(=O)N1CC[C@@H](NCCN2C(=O)CNC2=O)C1 1182112764 DJPWVFGBUHNJKQ-CYBMUJFWSA-N 320.393 -0.078 30 20 DBED Cn1ccc(CCC(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)n1 1182918911 UENNPPCFQSXZMN-CYBMUJFWSA-N 318.381 -0.817 30 20 DBED C=CCOCCN[C@@H]1CCN(C(=O)CN2C(=O)CN(C)C2=O)C1 1187671606 MJYIHIGPXZONKC-GFCCVEGCSA-N 324.381 -0.727 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)CCC(C)C)C1 1190944496 VKLAQMUIIXKMDI-BFHYXJOUSA-N 309.410 -0.278 30 20 DBED C#CCCN(C)[C@H]1CCN(C(=O)c2cnc(O)n(C)c2=O)C1 1191674251 FOROHZJMNFOEDZ-NSHDSACASA-N 304.350 -0.345 30 20 DBED C=CCCN(C)[C@H]1CCN(C(=O)CNC(=O)Cn2cncn2)C1 1194238056 HFQOMGYNRIOWAX-ZDUSSCGKSA-N 320.397 -0.497 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)c2cnn(CCF)c2)C1 1194321526 ZNEQQONFXQFMER-ZIAGYGMSSA-N 324.356 -0.723 30 20 DBED N#CCNC(=O)CN1CCCN(C(=O)c2ccns2)CC1 1196003879 OJVCKLGBFACLLU-UHFFFAOYSA-N 307.379 -0.069 30 20 DBED C#CCN1CCCN(C(=O)[C@H](Cc2cnc[nH]2)NC(C)=O)CC1 1197007555 TYTDTFJQHYJXST-HNNXBMFYSA-N 317.393 -0.376 30 20 DBED C=CCCCN1C[C@@H](O)[C@H](NC(=O)COCc2ncnn2C)C1 1197367073 JTIGZJVJNQDHIE-CHWSQXEVSA-N 323.397 -0.541 30 20 DBED C#CCNC(=O)[C@H](C)N1CCCN(C(=O)[C@H]2CCN(C)C2)CC1 1198098308 USERAVWRAPTNAK-GJZGRUSLSA-N 320.437 -0.390 30 20 DBED C=CCCC(=O)N1CCCO[C@@H](CNCC(=O)NC(N)=O)C1 1200083884 QMOKSJRYIVMTDW-NSHDSACASA-N 312.370 -0.645 30 20 DBED N#CCNC[C@H]1CN(C(=O)CCCCNC(N)=O)CCCO1 1200921096 QVKSDRDCFDQPGU-LBPRGKRZSA-N 311.386 -0.444 30 20 DBED COCC(=O)NCCC(=O)N[C@@H]1C[C@@H](NCC#N)C12CCC2 1202997533 YHMRDNNNQPLUOF-VXGBXAGGSA-N 308.382 -0.320 30 20 DBED C#CCNC(=O)[C@@H](C)NCC1CCN(C(=O)c2cn[nH]c2)CC1 1204617842 QBHIOKLYNZLCKW-GFCCVEGCSA-N 317.393 -0.011 30 20 DBED N#CCNC(=O)CN[C@H]1CCCN(C(=O)[C@H]2CCCCO2)C1 1207808398 YRDCVPDRTSLSLW-QWHCGFSZSA-N 308.382 -0.224 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCN(C(=O)c2cc(F)c[nH]2)C1 1208587711 KCTXRYSQBZPMGJ-LLVKDONJSA-N 307.329 -0.012 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)C2CCOCC2)C[C@H]1C 1214028545 JKNNDIKPTSBVHK-TZMCWYRMSA-N 307.394 -0.401 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1C 1214543654 ICYPHSFLOVRSDE-GRYCIOLGSA-N 318.381 -0.997 30 20 DBED Cc1cncn1CC(=O)N1C[C@@H](NCC(=O)NCC#N)[C@H](C)C1 1215155857 MQYGGVUHXKSZKY-DGCLKSJQSA-N 318.381 -0.732 30 20 DBED C#CCCCCC(=O)N[C@@H]1CN(CC(=O)NCC#C)C[C@@H]1O 1219482229 QQAHQCNEZDVNOP-KGLIPLIRSA-N 305.378 -0.909 30 20 DBED CCN(C)C(C)(C)C(=O)N[C@@H]1CN(CC#CCOC)C[C@@H]1O 1219902427 BKYGPLOYMPMOLE-KGLIPLIRSA-N 311.426 -0.472 30 20 DBED C=CCNC(=O)[C@H](C)N1CC[C@@H]2CN(C(=O)c3cnn[nH]3)[C@@H]2C1 1221667101 AVQQLHJVIRHPHL-DMDPSCGWSA-N 318.381 -0.358 30 20 DBED Cc1cc(CC(=O)NC2CCN(CC(=O)NCC#N)CC2)n[nH]1 1226801961 HCNXDBDYYINSGY-UHFFFAOYSA-N 318.381 -0.519 30 20 DBED CCc1nnc(O)c(CNC(=O)NCC(=O)NCC#N)c1CC 1261099956 CWGSAPNCUQTSPH-UHFFFAOYSA-N 320.353 -0.254 30 20 DBED COC(=O)N(C)CCNC(=O)C(=O)Nc1cnn(CC#N)c1 1261620778 MEWRUTPJUVXZAH-UHFFFAOYSA-N 308.298 -0.840 30 20 DBED CC(=O)NC[C@H]1CCCCN1C(=O)C(=O)N1CCO[C@H](C#N)C1 1261809975 PDGGUCJUTXKJBT-CHWSQXEVSA-N 322.365 -0.745 30 20 DBED C=CCn1c(CO)nnc1N1CCC[C@@H](N2CCNC2=O)C1 1262984169 IVIOPGOCTLTZHS-LLVKDONJSA-N 306.370 -0.050 30 20 DBED N#C[C@@]1(F)CCN(C(=O)C(=O)NCCC(=O)N2CCCCC2)C1 1324726623 WYGWCESOHORRPW-HNNXBMFYSA-N 324.356 -0.031 30 20 DBED C=C[C@H]1CCCCN1C(=O)C(=O)N1CCN(CCOC)C(=O)C1 1325096320 BLMVFZKUPUAWBD-ZDUSSCGKSA-N 323.393 -0.129 30 20 DBED C=C[C@](C)(O)CC(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 1325104478 QBCLJHZUDSPPMU-GWCFXTLKSA-N 318.395 -0.877 30 20 DBED C#CC1CCN(C(=O)C(=O)N2CCOC[C@@H]2C[C@@H](C)O)CC1 1326228213 VJZLZQGYZZFAEH-OCCSQVGLSA-N 308.378 -0.144 30 20 DBED CC(C)[C@](C)(C#N)NC(=O)COC(=O)COCc1nncn1C 1326265493 DTRRQNAOPXTQEE-AWEZNQCLSA-N 323.353 -0.071 30 20 DBED Cc1ncsc1CNC(=O)C(=O)N1CC[C@](O)(CC#N)C1 1326401745 OABMARYOHDBVLF-CYBMUJFWSA-N 308.363 -0.055 30 20 DBED C=CCn1cc(C(=O)OCc2nc(CC(=O)NC)no2)nn1 1328181044 FQTPYECNVZQHNQ-UHFFFAOYSA-N 306.282 -0.507 30 20 DBED C#CC1CCN(C(=O)C(=O)N2CCN3CCOC[C@H]3C2)CC1 1328427998 XHGVEDYOQUOEKZ-CQSZACIVSA-N 305.378 -0.599 30 20 DBED C#CCN(C(=O)C(=O)NC[C@H]1CCCCS1(=O)=O)C(C)C 1333545233 NASXZZGZUJVZSO-GFCCVEGCSA-N 314.407 -0.060 30 20 DBED C#CCN(C(=O)C(=O)NC[C@@H](C)CN1CCOCC1)C(C)C 1340617640 YWPWVGHSECDJMW-CQSZACIVSA-N 309.410 -0.059 30 20 DBED C#CCOCCn1nnnc1N1CCC[C@@H](Cn2ccnn2)C1 1352528934 UDLJBAVHSHKPLL-CYBMUJFWSA-N 316.369 -0.169 30 20 DBED CC[C@@H]1CN(C(=O)Cn2cc(C#N)c(O)nc2=O)C[C@@H](C)O1 1361864663 ZQAIVHXIDICKHN-MWLCHTKSSA-N 306.322 -0.154 30 20 DBED N#C[C@H]1CN(S(=O)(=O)NCc2ccc3nonc3c2)CCO1 1365746809 SBJPNNHBOXZXMO-JTQLQIEISA-N 323.334 -0.218 30 20 DBED C[C@@H](CNC(=O)[C@H](C)C#N)NC(=O)c1cccc(C(N)=O)n1 1377733023 FKCVRIUSHGTIBK-BDAKNGLRSA-N 303.322 -0.425 30 20 DBED Cc1nc(CNC[C@H](O)CN(C)C(=O)c2cc(C#N)c[nH]2)n[nH]1 1382406095 XZNAVPARRBDJPT-NSHDSACASA-N 317.353 -0.464 30 20 DBED COCc1cc(C(=O)N(C)C[C@@H](O)CNC(=O)[C@@H](C)C#N)no1 1384217651 SYHNMYOXVSQOBD-UWVGGRQHSA-N 324.337 -0.470 30 20 DBED CCc1cc(C(=O)N(C)C[C@H](O)CNC(=O)[C@@H](C)C#N)no1 1384243023 NJEOAJUDCDGBJO-VHSXEESVSA-N 308.338 -0.054 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CCCN(C(=O)CN2CCCC2=O)C1 1385483639 HROAPGIMUIRISA-RYUDHWBXSA-N 306.366 -0.124 30 20 DBED C[C@@H](C#N)C(=O)N(C)CC1CCN(C(=O)[C@H]2COC(=O)N2)CC1 1388906240 LOIUVPMMPCYRMG-CMPLNLGQSA-N 322.365 -0.049 30 20 DBED CC(C)OCC(=O)NC[C@@H](O)CNC(=O)c1cc(C#N)c[nH]1 1389071526 CBLMSMJSNXNAAW-LLVKDONJSA-N 308.338 -0.482 30 20 DBED C=C(Cl)CNC[C@H](C)NC(=O)CN1CCCS1(=O)=O 1392566235 WJKFFQSVELEDFU-JTQLQIEISA-N 309.819 -0.131 30 20 DBED COCCN(CCNC(=O)[C@]1(F)CCOC1)C(=O)[C@H](C)C#N 1396152102 KXRZYHAGDDERCF-RISCZKNCSA-N 315.345 -0.134 30 20 DBED C[C@@H]1C[C@H](C(=O)NCCn2cc(C#N)c(O)nc2=O)CCO1 1412369257 BWYKDKRXFOAIIW-NXEZZACHSA-N 306.322 -0.248 30 20 DBED Cc1cc(C)n(CC(=O)N(C)C[C@H](O)CNC(=O)[C@@H](C)C#N)n1 1413300733 SPIKVQYFAJGTKX-GXFFZTMASA-N 321.381 -0.405 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)NC[C@H]1CCCN(C(N)=O)C1 1413354433 GESQHUFVFJJWBW-WDEREUQCSA-N 317.415 -0.155 30 20 DBED CCC(=O)NCC(=O)N1CC[C@H]2CN(C(=O)[C@H](C)C#N)C[C@H]21 1413934845 MASDWBJAADSBBN-GRYCIOLGSA-N 306.366 -0.268 30 20 DBED CC1(C)[C@H](NC(=O)Cn2cc(C#N)c(O)nc2=O)[C@@H]2CCO[C@H]21 1465323367 TUTPKTAAHOYYGI-MVWJERBFSA-N 318.333 -0.250 30 20 DBED CC(=O)CSCC(=O)NCCn1cc(C#N)c(O)nc1=O 1470360954 MSUCLTMTWUEIJM-UHFFFAOYSA-N 310.335 -0.741 30 20 DBED CN(C[C@H](O)CNC(=O)c1ccc(C#N)[nH]1)C(=O)c1cocn1 1488339915 VIOQFQTXJXNLEY-SNVBAGLBSA-N 317.305 -0.263 30 20 DBED C=C(Br)CNC[C@H](O)CNC(=O)CCNC(N)=O 1497114742 QREBOXHZBNGGDJ-QMMMGPOBSA-N 323.191 -0.980 30 20 DBED C[C@H](C#N)C(=O)NCC1CN(C(=O)c2ccc3nnnn3c2)C1 1498677998 ODJNNCJBUZADBX-SECBINFHSA-N 313.321 -0.528 30 20 DBED CC[C@@H](CNC(=O)CNC(C)=O)NC(=O)c1cc(C#N)c[nH]1 1498870763 CEODJHAQSTXOJQ-NSHDSACASA-N 305.338 -0.353 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1cc(C2CC2)nn1C 1501547107 UHPTXOOABRCICX-ONGXEEELSA-N 319.365 -0.336 30 20 DBED Cc1cnn(CCC(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2O)c1 1512977856 WAOBTSLEQODJNC-JHJVBQTASA-N 319.365 -0.571 30 20 DBED C[C@H](C#N)C(=O)N[C@H](CNC(=O)c1ccc(O)nn1)C1CC1 1524320009 FRKXYKPQBUNUMO-LDYMZIIASA-N 303.322 -0.034 30 20 DBED Cc1cc(C#N)nc(NC[C@]2(C(=O)O)C[C@@H]2S(C)(=O)=O)n1 1571106427 OZALJJAMHGBFKF-JOYOIKCWSA-N 310.335 -0.044 30 20 DBED C[C@]1(C(=O)O)CN(S(=O)(=O)c2cccnc2C#N)CCO1 1573605947 HDVWUWCJKPKMRB-GFCCVEGCSA-N 311.319 -0.183 30 20 DBED Cc1nc(C#N)c(N2CCC(C(=O)NC[C@H](O)C(=O)O)CC2)o1 1574748190 PIIXOUOZKMYSGA-NSHDSACASA-N 322.321 -0.367 30 20 DBED C=CCS(=O)(=O)CCn1c(C)nnc1N1CC[C@H](NC)C1 1574948159 WBJPNOHZMFDXBE-LBPRGKRZSA-N 313.427 -0.015 30 20 DBED CO[C@@H]1CCOC[C@H]1Nc1cnc(-c2nn[nH]n2)c(C#N)n1 1591468248 NJOWZNKAXBHVTB-RKDXNWHRSA-N 302.298 -0.256 30 20 DBED COC(=O)CCN(CC(=O)O)C(=O)Cc1noc(C)c1C#N 1593838839 AOYADKGHBOIZAK-UHFFFAOYSA-N 309.278 -0.127 30 20 DBED CN1CCN(C(=O)NCC2(C#N)CCOCC2)C[C@H](C(=O)O)C1 1598605611 BQMUPDLSBOLNRX-GFCCVEGCSA-N 324.381 -0.035 30 20 DBED COCC#CCN1CC2(C1)CN(C(=O)[C@@H]1C[C@H]1C(=O)O)CCO2 1599139081 SPZPDYDKIWEBAG-CHWSQXEVSA-N 322.361 -0.730 30 20 DBED N#Cc1c(CN2CCN3C(=O)NC(=O)[C@@H]3C2)cccc1C(=O)O 1601081778 KJUJLKLFXPMNEL-LBPRGKRZSA-N 314.301 -0.008 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N[C@@H]1CC[C@H](C(=O)O)C1 1602710198 DXUUNUIEJBMPSA-NWDGAFQWSA-N 310.350 -0.146 30 20 DBED CN1CC[C@](O)(CNC[C@@H](O)COc2ccccc2C#N)C1 1647557354 ILCFAKVHAJSBMW-ZBFHGGJFSA-N 305.378 -0.046 30 20 DBED N#CCNC(=O)CNC[C@@H]1CCCCN1C(=O)c1cnon1 1717359199 QSOYWAURXZCZEI-JTQLQIEISA-N 306.326 -0.706 30 20 DBED CC(C)C#CC(=O)NCCN1CCN(CC(=O)NC(C)C)CC1 1752364896 JWYMBDTXODXBDT-UHFFFAOYSA-N 322.453 -0.096 30 20 DBED C#CCO[C@@H](C)C(=O)NCCN1CCN([C@@H](C)COC)CC1 1752366315 WNMLFYMDOITZDN-GJZGRUSLSA-N 311.426 -0.207 30 20 DBED C#CCN[C@@H](CNC(=O)CN1CCCCS1(=O)=O)C1CC1 1752474067 OOBDBCXBTWSEAG-ZDUSSCGKSA-N 313.423 -0.470 30 20 DBED CCN(CC)S(=O)(=O)CC(=O)N[C@H]1C[C@H](NCC#N)C1 1752669107 KFOBYIOHGQPTDM-XYPYZODXSA-N 302.400 -0.582 30 20 DBED C=CCNC(=O)CN[C@@H](C)CNC(=O)[C@H]1CCc2c[nH]nc2C1 1752919866 MTZFMLZWTSJHOE-RYUDHWBXSA-N 319.409 -0.089 30 20 DBED C#CCCCC(=O)NC[C@H]1CCN(CCN2C(=O)CNC2=O)C1 1753124392 ZEGLABLIRXPDBU-CYBMUJFWSA-N 320.393 -0.220 30 20 DBED C#CCNC(=O)[C@H](C)N1[C@H]2CC[C@H]1CN(C(=O)[C@H](C)C#N)C2 1753304396 CMPMEYVEXATOPS-RFGFWPKPSA-N 302.378 -0.041 30 20 DBED COCC#CCN1CC(NC(=O)Cn2ccc(C)cc2=O)C1 1753389151 JKDIEUZYGDJCST-UHFFFAOYSA-N 303.362 -0.393 30 20 DBED CNC(=O)NC(=O)[C@@H](C)N1CC(CNC(=O)C#CC(C)C)C1 1753401938 WOHHBTKZIOXYSF-LLVKDONJSA-N 308.382 -0.462 30 20 DBED C#CCN1CCC(C(=O)N[C@@H](CNCC(N)=O)CC(C)C)CC1 1753743283 JSDIIXPJWYUFHK-OAHLLOKOSA-N 322.453 -0.063 30 20 DBED C=CCCNC/C=C/CNC(=O)CN1CCS(=O)(=O)CC1 1754205577 IKWWYVPCRJPVGZ-SNAWJCMRSA-N 315.439 -0.445 30 20 DBED CN(C)CCCCC(=O)N[C@@H]1[C@H]2C[C@H]1N(CC(=O)NCC#N)C2 1754430197 HFOCLPZYCTUSER-WOSRLPQWSA-N 321.425 -0.453 30 20 DBED COCCC[C@@H](C)C(=O)N(C)C1CN(CC(=O)NCC#N)C1 1754584230 BRQRAJYSVZMSMS-GFCCVEGCSA-N 310.398 -0.169 30 20 DBED CCNC(=O)CCC(=O)N1CCC[C@H]1CNCC(=O)NCC#N 1754606837 GDVAPLMZHWQPIT-LBPRGKRZSA-N 323.397 -0.877 30 20 DBED C#CCCCC(=O)N[C@@]1(CO)CCCN(CC(=O)NCC#N)C1 1754854652 XIHWNFOYSSXFGY-INIZCTEOSA-N 320.393 -0.627 30 20 DBED N#CCN1CCOC[C@H]1CNC(=O)CCOC[C@@H]1CCCO1 1754968612 IDLSCCZOWQQKSA-KGLIPLIRSA-N 311.382 -0.087 30 20 DBED COCC#CCN[C@]1(CO)CCCN(C(=O)Cc2cnc[nH]2)C1 1755089726 VSMUFOWUXMMFHR-MRXNPFEDSA-N 320.393 -0.455 30 20 DBED C#CCNCC1(NC(=O)[C@@H]2CCCC(=O)N2C)CCOCC1 1755099611 LGKIPZVNJRNBNA-ZDUSSCGKSA-N 307.394 -0.115 30 20 DBED C=CCOCC(=O)NC1(CO)CCN(Cc2ncnn2C)CC1 1755180418 ZGJCVGLFANYNPR-UHFFFAOYSA-N 323.397 -0.539 30 20 DBED C#CCCNCC(C)(C)CN(C)C(=O)c1cn(CC(N)=O)nn1 1755287513 CQKXVFNPNKFIQQ-UHFFFAOYSA-N 320.397 -0.526 30 20 DBED C=CCNC(=O)CN(C)[C@@H](C)CNC(=O)[C@@H]1CCCC(=O)N1C 1755324862 RKTVRECJVOYRJL-STQMWFEESA-N 324.425 -0.264 30 20 DBED C[C@H](CCCNCC(=O)NCC#N)NC(=O)c1ccnnc1 1755517977 YWNLFLITKHWTQN-LLVKDONJSA-N 304.354 -0.396 30 20 DBED C=CCNC(=O)CN[C@H]1C[C@H](C)N(C(=O)c2nonc2C)C1 1755694086 NNCUTOHQXXAVSI-ONGXEEELSA-N 307.354 -0.127 30 20 DBED C=CCOCC(=O)N[C@H]1CCCN(CC(=O)NCC#N)[C@H]1C 1755714562 NCBYQIQUABHVFV-STQMWFEESA-N 308.382 -0.202 30 20 DBED C#CCCNC[C@H](O)CN(C)C(=O)[C@@]1(C)CCN(C(C)=O)C1 1755791329 KVTSHIUAZGWKQL-HOCLYGCPSA-N 309.410 -0.323 30 20 DBED C[C@@H](C#N)C(=O)NCC1=CCN([C@H](C)C(=O)NC(N)=O)CC1 1755884209 MEQCPYYNVDTIRD-VHSXEESVSA-N 307.354 -0.522 30 20 DBED C=CCCOCC(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 1756252500 LWNFQGXEDNKBHB-SRVKXCTJSA-N 324.381 -0.729 30 20 DBED C=CC[C@@H](C(=O)NC[C@H](CO)NC(=O)C(N)=O)c1ccccc1 1756526685 WOKIBQJTJKBNIA-CHWSQXEVSA-N 319.361 -0.575 30 20 DBED CC(C)C#CC(=O)N(C)C[C@@H](O)CNC(=O)[C@@H]1CC(=O)N(C)C1 1756663618 WIHKCNAXTWTQEN-OLZOCXBDSA-N 323.393 -0.940 30 20 DBED C#CCCCC(=O)N(CC)[C@H](C)CNC(=O)Cn1ncnn1 1756854263 XFDLXFWEIAAUGF-GFCCVEGCSA-N 306.370 -0.170 30 20 DBED CO[C@@H]1CN(C(=O)CC(C)(C)O)C[C@H]1NC(=O)C#CC1CC1 1757127723 NBWCSYMIACFAJC-CHWSQXEVSA-N 308.378 -0.097 30 20 DBED C[C@H](C#N)C(=O)N(C)CCOCCN(C)C(=O)c1cnnn1C 1757486687 JDLNRMMLOYDPQV-LLVKDONJSA-N 322.369 -0.478 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)n1ccnc1)CCO2 1783046408 NTLUXLYHRWCLSQ-BBRMVZONSA-N 316.361 -0.093 30 20 DBED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CC 1792865370 QEJQWMMSQFFWTF-QVHKTLOISA-N 308.378 -0.240 30 20 DBED C=CCC(=O)N1CCCC12CN(C(=O)CC[C@H](N)C(N)=O)C2 1846376206 UQWQZBKPYLIQND-NSHDSACASA-N 308.382 -0.641 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N2CCC[C@H](C(=O)O)C2)CCO1 93932493 LEAPOKGDVRBXAC-VHSXEESVSA-N 303.340 -0.748 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N[C@H]1CCc2nc(C)nn2C1 105934481 LPJFIUMZQKIJLH-ONGXEEELSA-N 306.370 -0.109 30 20 DBED C#CCN(C(=O)CSCC(=O)O)[C@@H]1CCS(=O)(=O)C1 128189539 UJQGHBWEMYZONS-SECBINFHSA-N 305.377 -0.547 30 20 DBED Cn1c(N2CCO[C@H]([C@@H]3CCCO3)C2)c(C#N)c(=O)n(C)c1=O 128871937 YNSWUYNADKUTDM-RYUDHWBXSA-N 320.349 -0.660 30 20 DBED C=CCNC(=O)NC(=O)CN(C)CCCN1CCN(C)CC1 174725520 UTRGPSJWPMZLLZ-UHFFFAOYSA-N 311.430 -0.433 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(C2CC2)[C@H](C)C(=O)O)C1=O 263544131 FSGSUIYPNDIASU-MRVPVSSYSA-N 323.305 -0.573 30 20 DBED C#CCOc1cc(F)ccc1NC(=O)C(=O)NC(CO)CO 267366818 LXLCCKFUVUAJDI-UHFFFAOYSA-N 310.281 -0.754 30 20 DBED Cn1c(N[C@H]2CCCC[C@@H]2C(N)=O)c(C#N)c(=O)n(C)c1=O 268468533 MCKGJBBCWSLLEQ-WPRPVWTQSA-N 305.338 -0.588 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCO[C@@H](C)[C@@H]2C)C1=O 268914300 UHFWFDZLJRWNGV-UWVGGRQHSA-N 309.322 -0.401 30 20 DBED C[C@]12CCC(=O)N1[C@@H](C(=O)NCCn1cnc(C#N)n1)CS2 286966501 SFQHACRYYLEZHA-RNCFNFMXSA-N 320.378 -0.280 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@H]3CNC[C@@H]3C2)C1=O 290075702 INMQNELASKVBFN-GHMZBOCLSA-N 320.349 -0.969 30 20 DBED COCCN(C)CC/N=C(/N)NCCCN1CCOCC1 303985544 SYSJIIDJAZGPIT-UHFFFAOYSA-N 301.435 -0.809 30 20 DBED O/C(=N/C[C@H](O)CN1CCOCC1)Nc1ccc(C2CC2)nn1 329126902 YTPDZWUQSXSRGO-LBPRGKRZSA-N 321.381 0.373 30 20 DBED CC(C)N1C[C@H](/N=C(/O)N2CCN3CCOC[C@@H]3C2)CC1=O 329851645 QXBFYWBSQLAGTE-OLZOCXBDSA-N 310.398 -0.074 30 20 DBED CCN1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)[C@@H](C)C1=O 337128916 BASFTYUFSZPIMO-QWRGUYRKSA-N 316.383 -0.992 30 20 DBED C[C@@H](CN1CCCC1=O)NC(=O)NCCn1cnc(C#N)n1 345011651 LGOVAYCXIJXZII-JTQLQIEISA-N 305.342 -0.540 30 20 DBED N#Cc1ccc(NCC(=O)NCC(=O)Nc2cccnc2)nc1 345438029 RFMPQBGSPKIDMO-UHFFFAOYSA-N 310.317 0.515 30 20 DBED COC(=O)CN(CC#N)C(=O)c1c(C)oc2ncn(C)c(=O)c12 353580856 YDQGUSCDWKYSNK-UHFFFAOYSA-N 318.289 -0.026 30 20 DBED CC(C)OCCS(=O)(=O)NCC(=O)N[C@]1(C#N)CCOC1 358456536 FNQOSTCEPJTBJK-LBPRGKRZSA-N 319.383 -0.870 30 20 DBED COC(=O)C1(CS(=O)(=O)N2CC(O)(CC#N)C2)CCC1 360218160 MHCGPDCMZXRQIM-UHFFFAOYSA-N 302.352 -0.380 30 20 DBED N#CCCCC(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 360250611 IUEGQOWEWAOVRA-ZDUSSCGKSA-N 308.382 -0.270 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CC(F)(F)CN2)CC1 360820668 VZVPQDSEFRHHRQ-NSHDSACASA-N 316.352 -0.570 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1CCO[C@@H](CC(=O)OC)C1 370164028 VQAMVEVWYFZUDZ-QWRGUYRKSA-N 313.354 -0.349 30 20 DBED C[C@H](CN)CNC(=O)C(=O)N1CC(Oc2ccc(C#N)cc2)C1 419956910 OUCMWCNIDJGBRO-LLVKDONJSA-N 316.361 -0.141 30 20 DBED C=CCNC(=O)CNC(=O)Nc1ccc(-c2cnn(C)c2)nn1 434078520 GUYQXOCNEOSFQH-UHFFFAOYSA-N 315.337 0.301 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2ccc(O)nc2)CC1 491126413 OCHSLAMVYGUZJQ-UHFFFAOYSA-N 302.334 -0.706 30 20 DBED CC[C@@](C)(C#N)NC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C 523670869 OHCAMOWYSGWBTL-HNNXBMFYSA-N 317.349 -0.002 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C)c2cnn(C)c2)C1=O 525049666 HFQNHHJIDVPHGS-VIFPVBQESA-N 319.321 -0.426 30 20 DBED C[C@H](C#N)CNC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 543804429 YJKMCGCFBFGJEV-GFCCVEGCSA-N 321.381 -0.378 30 20 DBED C=C(C)CS(=O)(=O)N1CC[C@H](N2C[C@H](C(=O)O)CC2=O)C1 567903111 JALYULHOVFHMKA-MNOVXSKESA-N 316.379 -0.100 30 20 DBED CNC(=O)CCNc1cc(C)nc(NCCC(=O)NC)c1C#N 596088020 KWCPGWDQLXXECN-UHFFFAOYSA-N 318.381 0.358 30 20 DBED COc1c(C#N)ccc(=O)n1CC(=O)N[C@H](C)C(=O)N(C)C 596283234 VYMLIGCKWPLUDV-SECBINFHSA-N 306.322 -0.679 30 20 DBED CCN1C[C@@H](S(=O)(=O)N2CCSC[C@@H]2C#N)CC1=O 601387307 UHFXZCOUVOMLHN-UWVGGRQHSA-N 303.409 -0.122 30 20 DBED CN1CCC(C#N)(NC(=O)CCSc2nnnn2C)CC1 604468049 TVZWMPDETFZJPR-UHFFFAOYSA-N 309.399 -0.204 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@H]3CCC[C@@]3(N)C2)C1=O 621698471 YOKYWXRTQFCTMT-MEBBXXQBSA-N 320.349 -0.697 30 20 DBED CC[C@@](C)(C#N)NC(=O)C(=O)c1cc(S(N)(=O)=O)cn1C 667737211 HIGALYCGALBGLP-LBPRGKRZSA-N 312.351 -0.336 30 20 DBED C=CCN1CC[C@H](N2CCC[C@@H](NS(C)(=O)=O)C2)C1=O 685000018 CAXOYYAAPWJJIX-NEPJUHHUSA-N 301.412 -0.213 30 20 DBED C#CCOCCC(=O)NCCC(=O)N1CCN(C(C)=O)CC1 755875592 GHPJGQWZGODBBO-UHFFFAOYSA-N 309.366 -0.777 30 20 DBED C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)OCC1(C#N)CC1 775865727 HYJDPKPUZRLXLU-VIFPVBQESA-N 312.351 -0.066 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N[C@H]1CCCN(C)C1=O 783007289 ZSUNVWOSQKVPBA-JTQLQIEISA-N 303.384 -0.493 30 20 DBED C[C@H](C(=O)OCc1cc(O)n2ncc(C#N)c2n1)S(C)(=O)=O 783030506 VCTPVEQSMUVFGE-SSDOTTSWSA-N 324.318 -0.217 30 20 DBED C#CCOCCNS(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O 784450890 AUSZDXAWYSSCQX-UHFFFAOYSA-N 322.342 -0.160 30 20 DBED COC[C@H](C#N)OC(=O)CNS(=O)(=O)c1cccc(C#N)c1 795328768 YMRIQSVXENFXHQ-NSHDSACASA-N 323.330 -0.082 30 20 DBED COC(=O)COCC(=O)OCC(=O)N[C@](C)(C#N)C(C)C 803806162 WWQMSCIRLPLNGZ-CYBMUJFWSA-N 300.311 -0.226 30 20 DBED CCS(=O)(=O)N[C@@H](C)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 827384401 RSFGYRDPBRNLKZ-CMPLNLGQSA-N 314.411 -0.487 30 20 DBED CCS(=O)(=O)N1CCC[C@H](C(=O)N[C@H]2CNC[C@@H]2C#N)C1 834495743 YTTQXWVFIKGQCW-SRVKXCTJSA-N 314.411 -0.724 30 20 DBED CC1(C)NC(=O)N(CCCC(=O)N[C@@H]2CNC[C@@H]2C#N)C1=O 834499377 HYCRPZUVAQJEME-VHSXEESVSA-N 307.354 -0.675 30 20 DBED CS(=O)(=O)Nc1ccc(C(=O)N[C@@H]2CNC[C@@H]2C#N)cc1 834516788 LZZGOMHERYFVIT-CMPLNLGQSA-N 308.363 -0.101 30 20 DBED C#CCNC(=O)CN1CCC[C@@H]1CNC(=O)c1cnn(C)c1 879190768 UDGZCUHDWNHCCB-CYBMUJFWSA-N 303.366 -0.636 30 20 DBED N#CCCN1CCN(C(=O)C(=O)NCC2=CCNCC2)CC1 884721621 PHQJNXFTNOUADU-UHFFFAOYSA-N 305.382 -0.920 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N1CC(N2CCCC2=O)C1 907736598 IUZXCUURGCLYLZ-SNVBAGLBSA-N 300.384 -0.371 30 20 DBED CN(C[C@@H]1CCCN(C(=O)NCC#CCO)C1)S(C)(=O)=O 923770295 UXNYYNCVZHJIAX-LBPRGKRZSA-N 317.411 -0.705 30 20 DBED O=C(NCC(F)(F)F)[C@@H]1CCN(C(=O)NCC#CCO)C1 923774610 UJXDFIDGJNSINF-SECBINFHSA-N 307.272 -0.308 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)NCC1CC2(C1)OCCO2 931093843 LKUBCKMCBQWHIP-ZDUSSCGKSA-N 324.377 -0.200 30 20 DBED CN1C[C@@H](C(=O)N[C@H]2CCN(C(=O)C#CC3CC3)C2)CC1=O 938088754 QXLPCZYDYUIXJO-STQMWFEESA-N 303.362 -0.405 30 20 DBED CO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1NC(=O)C1=COCCO1 941102046 ZWLLBJFIXJWMLO-HBNTYKKESA-N 309.322 -0.624 30 20 DBED Cc1nc(C(=O)N[C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)c(=O)[nH]c1C 941192190 PTSIGCGHLPVGTH-GZMMTYOYSA-N 317.349 -0.123 30 20 DBED C[C@@H]1C[C@H](NC(=O)c2cnc(O)n(C)c2=O)CCN1CC#N 947602675 MZRVSYTZLCYGCR-NXEZZACHSA-N 305.338 -0.408 30 20 DBED CS(=O)(=O)CC(=O)N1CC[C@H]1CNC(=O)c1c[nH]c(C#N)c1 949486451 XBULLENXUHEQOU-NSHDSACASA-N 324.362 -0.738 30 20 DBED COc1cc(C(=O)NC[C@@H]2CCN2C(=O)[C@H](C)C#N)ncn1 950141667 CXZDCRZAZRKQGO-ZJUUUORDSA-N 303.322 -0.024 30 20 DBED C[C@H](C#N)C(=O)N1CC(N(C)C(=O)C2CCN(C(N)=O)CC2)C1 954253222 NVEBGKKWCDDGOI-SNVBAGLBSA-N 321.381 -0.394 30 20 DBED C#CCCN1C[C@H](O)[C@H](CNC(=O)c2ccn(C)c(=O)c2)C1 958184196 WXRDRAGYQZCJAW-KGLIPLIRSA-N 303.362 -0.569 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2ccc3nc(O)[nH]c3n2)C1 958345719 QWJFQTUHVSVGAZ-JOYOIKCWSA-N 315.333 -0.681 30 20 DBED C=CCN1C[C@H](CNC(=O)c2cc(C)c(C(N)=O)cn2)[C@@H](O)C1 958409753 WIKDSAPZUJLTSE-FZMZJTMJSA-N 318.377 -0.303 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cccnc2)C1 958431999 XKFSFTYWEPSGAD-DRZSPHRISA-N 302.334 -0.115 30 20 DBED C#Cc1cncc(C(=O)NC[C@@H]2CN(C(=O)C(N)=O)C[C@@H]2C)c1 959571649 AUTYJWKINKMCCT-GXFFZTMASA-N 314.345 -0.628 30 20 DBED Cc1nnsc1C(=O)N[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1O 961486861 LFJNDIMMLPIRIF-VDAHYXPESA-N 309.351 -0.692 30 20 DBED C#CCN1C[C@H]2C(NC(=O)c3cn(C[C@H]4CCOC4)nn3)[C@@H]2C1 962176149 MRROKSJGSMYFBJ-JHJVBQTASA-N 315.377 -0.392 30 20 DBED C#CCCN1C[C@H]2[C@H](NC(=O)[C@H]3CN(C(C)=O)CCO3)[C@H]2C1 962438503 PQGKFCAQBQTOGO-BARDWOONSA-N 305.378 -0.697 30 20 DBED C[C@H](C#N)C(=O)N1CCC2(CC1)C[C@@H]2NC(=O)Cn1nccn1 963895699 YPUHTDLSRGOLNQ-NEPJUHHUSA-N 316.365 -0.065 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CN(C(=O)c3cc[nH]n3)CCO2)C1 965316530 AQDRMVLTZOSMOW-JTQLQIEISA-N 303.322 -0.377 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CN(C(=O)c3cnns3)CCO2)C1 965317643 UIFTXYPXYZKCHY-SECBINFHSA-N 321.362 -0.249 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CN(C(=O)c3cnsn3)CCO2)C1 965318049 VTCCILOPJPFEQC-SECBINFHSA-N 321.362 -0.249 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CC[C@@H](CNC(=O)c3nc[nH]n3)O2)C1 965567675 PQJOVWXKXIUGQM-ZJUUUORDSA-N 318.337 -0.546 30 20 DBED CCN(C(=O)[C@@H]1CCCNC1=O)C1CN(C(=O)[C@@H](C)C#N)C1 968063231 YGVXHYKUDHWIPH-CMPLNLGQSA-N 306.366 -0.268 30 20 DBED O=C(N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O)c1cc(F)c[nH]1 968981498 RIIMIWBCDQABCZ-OLZOCXBDSA-N 305.309 -0.131 30 20 DBED C=CCN1CC([C@@H](C)NC(=O)c2cc(=O)n3[nH]cnc3n2)C1 970736896 HSXBVTKJOVINOV-SECBINFHSA-N 302.338 -0.346 30 20 DBED COC(=O)[C@H]1C[C@@H]1C(=O)N[C@H]1[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]21 976260373 VBBZPKQQWJPFLO-XOBFJNJYSA-N 316.357 -0.218 30 20 DBED C[C@@H]1C[C@H](NCC#N)CN1C(=O)CN1C(=O)NC(=O)C1(C)C 989647434 WIUDQYVYMDMGDX-ZJUUUORDSA-N 307.354 -0.581 30 20 DBED CC#CCN1CC[C@@]2(NC(=O)CN3CC(=O)NC3=O)CCC[C@H]12 992326812 GXBUXFZYWYZKGP-LRDDRELGSA-N 318.377 -0.325 30 20 DBED CN1C(=O)CN(CC(=O)N[C@@]23CCC[C@@H]2N(CC#N)CC3)C1=O 992397737 PBFFNLWUOXUMIM-XHDPSFHLSA-N 319.365 -0.483 30 20 DBED C=CC(C)(C)C(=O)N1CC(NC(=O)CN2CC(=O)N(C)C2=O)C1 996397601 VLZCZACKRSHDFK-UHFFFAOYSA-N 322.365 -0.580 30 20 DBED Cn1nnnc1CN[C@@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1 998958998 WZRGHWBEWSIIDZ-LLVKDONJSA-N 314.353 -0.196 30 20 DBED C#CCN1CC[C@@H](n2cc(CNC(=O)c3csnn3)nn2)C1 999999791 FORNHXMNLLGEJD-LLVKDONJSA-N 317.378 -0.060 30 20 DBED C[C@@H](C#N)C(=O)N1CC([C@H](C)NC(=O)c2ccc(=O)n(C)n2)C1 1006905312 DLTFUWWKFYAUSW-UWVGGRQHSA-N 317.349 -0.483 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@]2(CCN(C(=O)c3nc[nH]n3)C2)C1 1007695308 UYMDKUQGYWTKGD-IINYFYTJSA-N 318.337 -0.592 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C(=O)[C@H]2CCc3nn[nH]c3C2)CC1 1011635069 DZFWVNYNLIZLFA-MNOVXSKESA-N 316.365 -0.260 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]2CN(C(=O)c3cnn(C)c3N)C[C@H]21 1022564273 HWAIDJFGBGTJGM-JFGNBEQYSA-N 316.365 -0.165 30 20 DBED C#CCN1CCC[C@@H](CNC(=O)[C@H]2CC(=O)N(CCOC)C2)C1 1023404072 QMCBDZSWFMGIMZ-GJZGRUSLSA-N 321.421 -0.057 30 20 DBED C#CCN1CCCC[C@H]1CNC(=O)c1cn(C)c(=O)nc1O 1024795664 PXHPUYHETKRJEZ-NSHDSACASA-N 304.350 -0.297 30 20 DBED CN1CC[C@@H](N2CC(CNC(=O)c3cc(C#N)c[nH]3)C2)C1=O 1031602454 BWNAKPWLPTZJDE-CYBMUJFWSA-N 301.350 -0.221 30 20 DBED C#CCOc1ncccc1C(=O)NCC1CN([C@H](C)C(N)=O)C1 1032136096 BURXNGCYVFPCTF-LLVKDONJSA-N 316.361 -0.371 30 20 DBED CN(C(=O)[C@H]1CN2CC3CC2(CO1)C3)[C@@H]1CCN(CC#N)C1 1033278145 MJCDMCKHNDUNOZ-MYMJJRTCSA-N 304.394 -0.094 30 20 DBED C=CCn1cc(C(=O)N(C)[C@H]2CCN([C@H](C)C(=O)NC)C2)nn1 1033483240 GLIUOLLRTVWLOC-NEPJUHHUSA-N 320.397 -0.255 30 20 DBED C#Cc1ccc(C(=O)N(C)[C@H]2CCN(CC(=O)NC)C2)nc1 1033595018 YYBASXQECIAVBZ-ZDUSSCGKSA-N 300.362 -0.045 30 20 DBED C#CCN1CCC[C@]2(CCN(C(=O)Cn3ncn(C)c3=O)C2)C1 1040271127 QUROIKZQNXGYPZ-INIZCTEOSA-N 317.393 -0.471 30 20 DBED C=CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)CCOC)C1 1041073351 HKZXQKJZAHJJRJ-LLVKDONJSA-N 300.355 -0.697 30 20 DBED C=CCCO[C@H](C)C(=O)N1CC(O)(CNC(=O)c2cocn2)C1 1042047417 QDXULEIODCKVPO-LLVKDONJSA-N 323.349 -0.041 30 20 DBED C#CCN1CC[C@@H]2CCN(C(=O)c3nccnc3C(N)=O)C[C@H]21 1042350264 XLMHQKDJTYCOSZ-VXGBXAGGSA-N 313.361 -0.255 30 20 DBED C=CCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCNC(=O)C2)C1 1042522070 OMNVQNJSYUDDNT-GFCCVEGCSA-N 323.393 -0.442 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)c2cocn2)C1 1043040087 NPKNANDBSQVACQ-SNVBAGLBSA-N 307.306 -0.984 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)c2[nH]cnc2C)C1 1043826393 LIJBIPFQDAOLPE-UHFFFAOYSA-N 304.350 -0.175 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)Cc3ccon3)C2)nn1 1043882968 GUUXVGMPRJCMAU-NEPJUHHUSA-N 314.305 -0.755 30 20 DBED CC(C)n1cc(C(=O)NCC2(O)CN(C(=O)[C@@H](C)C#N)C2)cn1 1043909180 PLOXEKKUQAXEGD-NSHDSACASA-N 319.365 -0.073 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)c3ccncn3)C2)nc1 1044117451 HYLCUURACUKJSW-OLZOCXBDSA-N 310.317 -0.277 30 20 DBED C=C[C@@H](CC)CC(=O)N1CC(O)(CNC(=O)c2nnn(C)n2)C1 1044939250 MLPAAAIXNBHTLT-JTQLQIEISA-N 322.369 -0.885 30 20 DBED CN(C)CCCC(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1045413075 JCSOAXHEKSDVKK-UHFFFAOYSA-N 307.394 -0.569 30 20 DBED C=C1CC(C)(C(=O)NCC2(O)CN(C(=O)[C@H]3CCN(C)C3)C2)C1 1046311700 KHSUYTNVYDZJRV-ZDUSSCGKSA-N 321.421 -0.016 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3nn[nH]c3n2)C1 1047405722 RMSPWKOPZCRUPZ-STQMWFEESA-N 314.349 -0.507 30 20 DBED CN(C(=O)c1cc(O)nc(C2CC2)n1)[C@H]1CN(CC#N)C[C@@H]1O 1047420155 CKANJZBGPDKMSF-RYUDHWBXSA-N 317.349 -0.300 30 20 DBED C=CCCC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CCNC(=O)C2)C[C@@H]1O 1048510326 LFHAXZUWNBOOIH-AGIUHOORSA-N 323.393 -0.491 30 20 DBED C=C[C@](C)(O)CC(=O)N(C)[C@H]1CN(C(=O)c2cocn2)C[C@@H]1O 1048761719 GZLPSAUFHXIDCK-HUBLWGQQSA-N 323.349 -0.355 30 20 DBED CC#CCN1C[C@H]2CN(C(=O)C[C@@H]3CC(=O)NC3=O)C[C@H]2C1 1049253933 FAIZYXZFJLJMBK-RWMBFGLXSA-N 303.362 -0.547 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)C(=O)C(C)(C)C)C[C@@H]1O 1049389585 ZAEFSCBWBBLSJC-VWYCJHECSA-N 309.366 -0.209 30 20 DBED Cn1cnc(C(=O)N2CC3(CCN(CC#N)CC3)C2)cc1=O 1050548849 BJIFWCCRTJPIBU-UHFFFAOYSA-N 301.350 -0.158 30 20 DBED CC(C)C#CC(=O)N1CC[C@@H]([C@@H](C)NC(=O)CNC(N)=O)C1 1050643300 ZUSVAFDGCAREGQ-VXGBXAGGSA-N 308.382 -0.333 30 20 DBED C#CCN1CC2(C1)CN(C(=O)[C@H]1C[C@@H](C)CC(=O)N1)CCO2 1053259859 PFSZIVDUDFAKHR-CHWSQXEVSA-N 305.378 -0.553 30 20 DBED C#CCN1CC2(C1)CN(C(=O)[C@H]1CCc3nccn3C1)CCO2 1053313768 CFAPGISZASTQGD-AWEZNQCLSA-N 314.389 -0.008 30 20 DBED N#CCN1CC[C@@]2(CCCN(C(=O)Cn3cnnc3O)C2)C1 1054118169 COVZHROTNAPXPF-AWEZNQCLSA-N 304.354 -0.178 30 20 DBED COc1ccc(CN[C@@H]2CN(C(=O)C(N)=O)C[C@H]2C)cc1C#N 1055019581 BFDSAZGDBAKMRQ-ZWNOBZJWSA-N 316.361 -0.011 30 20 DBED Cc1cc(C#N)nc(N2CCN(C(=O)CS(C)(=O)=O)CC2)n1 1055732787 DEXWZKQHAYHUAM-UHFFFAOYSA-N 323.378 -0.650 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@](CO)(NC(=O)c2cnns2)C1 1055799127 XHDRWASSEIKVIK-NOZJJQNGSA-N 323.378 -0.219 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)c1csnn1 1058185959 OEDCRFUEFUXFAC-UHFFFAOYSA-N 310.379 -0.252 30 20 DBED N#Cc1nccc(N2CCC[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)n1 1058239235 HELLBOWKYVGUOM-AXFHLTTASA-N 314.349 -0.445 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)[C@H]1CC[C@@H]1C(N)=O 1058294958 WFASQMGARMRRDM-RYUDHWBXSA-N 311.382 -0.599 30 20 DBED Cc1nc(N2CC[C@H](NC(=O)Cn3cnnn3)C2)ccc1C#N 1058307930 BTJJAPGGUMCRPE-LBPRGKRZSA-N 312.337 -0.357 30 20 DBED N#Cc1cnc(N2CCC3(CC2)C[C@@H]3NC(=O)C(N)=O)cn1 1058645810 QMEAAQLTEQUBKQ-JTQLQIEISA-N 300.322 -0.691 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](CCNC(=O)CS(C)(=O)=O)C1 1060288534 AVWUBRFAGUWIAH-WDEREUQCSA-N 315.395 -0.455 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)CCn1ccnn1 1061532756 YNGSDXSUXNCSHM-NEPJUHHUSA-N 320.353 -0.829 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCOC[C@H]1CNC(=O)c1nc[nH]n1 1061766493 LBEOCYCCCULJGE-WDEREUQCSA-N 323.353 -0.647 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)CN1CCCC1=O 1061845108 CMXFXXDYGKQQHP-VXGBXAGGSA-N 322.365 -0.888 30 20 DBED CCn1cc(C(=O)N2CCOC[C@H]2CNC(=O)[C@@H](C)C#N)nn1 1061848342 PUXWQQWGMJBZEF-WDEREUQCSA-N 320.353 -0.585 30 20 DBED CN(C(=O)[C@@H]1COCCO1)[C@@H]1CCN(c2cncc(C#N)n2)C1 1062890076 KJRLOHQDHDSBLA-OLZOCXBDSA-N 317.349 -0.199 30 20 DBED CN(C(=O)[C@@H]1CNC(=O)N1)[C@H]1CCN(c2ccncc2C#N)C1 1063024399 BHAYSGKWPATDPX-RYUDHWBXSA-N 314.349 -0.328 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)C(=O)NCC2CC2)CCC1 1064306296 GIDUTRNCFWKZTI-SNVBAGLBSA-N 306.366 -0.173 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H]1CN(C(=O)COCC)CCO1 1064807330 XSLVVMCWFVENGB-QWHCGFSZSA-N 312.366 -0.595 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)Cc2n[nH]c(C)n2)CCO1 1065138078 IJKISILENXYLLA-LBPRGKRZSA-N 321.381 -0.035 30 20 DBED Cc1nccn1CC(=O)NC[C@H]1CN(C(=O)[C@@H](C)C#N)CCO1 1065556349 GRMJSQSJQOATBI-AAEUAGOBSA-N 319.365 -0.305 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC[C@H](NC(=O)CC(=O)NC)CC1 1066086521 IIVQNOYNRXOXMX-STQMWFEESA-N 323.393 -0.342 30 20 DBED C#CCNC(=O)CC(=O)N(C)CCCN(C)C(=O)C#CC1CC1 1067239952 PSMPKGDCIAEOCN-UHFFFAOYSA-N 317.389 -0.154 30 20 DBED N#Cc1nccc(N2C[C@@H](O)[C@H](CNC(=O)c3cccnc3)C2)n1 1067643453 WTIZBXQKAFFSFP-CHWSQXEVSA-N 324.344 -0.030 30 20 DBED C=C[C@H](C)[C@H](C)C(=O)N1CCOC2(CN(C(=O)CC(N)=O)C2)C1 1068436220 FWYIEYXSNUJLNM-RYUDHWBXSA-N 323.393 -0.240 30 20 DBED C=C[C@H](CC)CC(=O)NC[C@@H]1CCC2(CN(C(=O)C(N)=O)C2)O1 1068609695 CNGJQTCVWPNTOW-NEPJUHHUSA-N 323.393 -0.050 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1COC2(C1)CN(C(=O)c1cnns1)C2 1069004040 SABIJWDQRPHVJC-DTWKUNHWSA-N 321.362 -0.203 30 20 DBED Cc1cc(C#N)nc(N2CCC[C@H](NC(=O)C(N)=O)[C@H]2C)n1 1069404227 IFVLSWYAEQIJPT-KOLCDFICSA-N 302.338 -0.385 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2n[nH]c(C)c2O)C[C@@H]1n1ccnn1 1070176902 XOHRXIRHKLXUCT-MNOVXSKESA-N 315.337 -0.696 30 20 DBED C[C@@H]1CN(C(=O)c2cnc(O)n2C)C[C@]2(CCN(CC#N)C2)O1 1071198790 DXOBAHNKMALZGR-IAQYHMDHSA-N 319.365 -0.045 30 20 DBED N#CCN1CCCO[C@@H](CNC(=O)[C@H]2CCS(=O)(=O)C2)C1 1073684267 MJKHQTYHUFVWPB-RYUDHWBXSA-N 315.395 -0.848 30 20 DBED Cn1cc(C(=O)NC[C@H]2CN(CC#N)CCCO2)n(C)c1=O 1073904314 CLNASKQHVAIXGR-NSHDSACASA-N 307.354 -0.932 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)c3cc(C(N)=O)co3)C[C@@H]21 1074338446 LOZTUGTYWQYHRY-STQMWFEESA-N 317.345 -0.073 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(O)(CNC(=O)c2ccncn2)CC1 1074705758 YIBBOGKUHPZMGX-NSHDSACASA-N 317.349 -0.280 30 20 DBED C[C@@H](CCNC(=O)C#CC1CC1)NC(=O)CN1C(=O)CCC1=O 1076430050 SFAHYJXHZISAJG-NSHDSACASA-N 319.361 -0.440 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)Cn2cccc(C)c2=O)C1 1076989844 MGVSLYUBXWSXAZ-ZIAGYGMSSA-N 305.378 -0.106 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)c2ccc(=O)n(CC)n2)C1 1077856885 PTALIYOQKAZVAB-CHWSQXEVSA-N 306.366 -0.386 30 20 DBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H](C)CCNC(=O)C(N)=O 1078120609 QSRPTPJTRRNFOT-SRVKXCTJSA-N 311.382 -0.146 30 20 DBED C[C@@H](CCNC(=O)[C@H](C)C#N)NC(=O)CCN1CCOCC1 1078130464 DBOYKCFODXJIGB-OLZOCXBDSA-N 310.398 -0.121 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2cccc(-n3ccnn3)c2)C1 1078281203 RKMBQHREKWNXHX-HUUCEWRRSA-N 311.345 -0.325 30 20 DBED C[C@@H](CCNC(=O)[C@@]1(C)CCNC1=O)NC(=O)C#CC1CC1 1078451433 XRONNCUMNVWMNW-MEDUHNTESA-N 305.378 -0.063 30 20 DBED O=C(NC1(CO)CCN(C(=O)C#CC2CC2)CC1)c1nc[nH]n1 1080942729 YRNOHMRUXYUWAS-UHFFFAOYSA-N 317.349 -0.699 30 20 DBED C=C1CC(C)(C(=O)N2C[C@H](O)[C@H](CNC(=O)CNC(C)=O)C2)C1 1081206944 DQFPIPVQBGYIMI-OLZOCXBDSA-N 323.393 -0.586 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2cocn2)C1 1081341416 POTGZZFESYEBIY-DGCLKSJQSA-N 305.334 -0.117 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@H](CNC(=O)Cc2cnoc2)C1 1081677144 MIFKMIZBANAXIU-CHWSQXEVSA-N 323.349 -0.645 30 20 DBED C#CCCN1C[C@@H](NC(=O)CN2CCCCC2=O)[C@H](OC)C1 1081889799 QJYGUTKDFBENKD-ZIAGYGMSSA-N 307.394 -0.162 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCc3nc(C)nn3C2)C1 1083662597 ABEPZYOMTIRWLK-MCIONIFRSA-N 317.393 -0.666 30 20 DBED CN(C[C@@H]1CCN1CC#N)C(=O)c1coc(S(N)(=O)=O)c1 1085678933 VSVCSMLERFXSFA-JTQLQIEISA-N 312.351 -0.403 30 20 DBED C#CCN1C[C@@H](NC(=O)Cn2nccn2)CC2(CCOCC2)C1 1089939244 PAYVTZOYJJOVET-AWEZNQCLSA-N 317.393 -0.101 30 20 DBED N#CCN1CC[C@H](NC(=O)Cc2n[nH]c3c2CCCC3)[C@H](O)C1 1090265109 JWXADKGKFRBOEV-DZGCQCFKSA-N 317.393 -0.094 30 20 DBED COc1nc(C)ncc1C(=O)N[C@H]1CCN(CC#N)C[C@H]1O 1090310683 NAXATKIIIGWQBV-NWDGAFQWSA-N 305.338 -0.518 30 20 DBED Cc1c(C(=O)N[C@@H]2CCN(CC#N)C[C@H]2O)nn2c1OCCC2 1090313879 UJJPZAFZPBFSIU-VXGBXAGGSA-N 319.365 -0.337 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2cncc(OC)n2)[C@H](O)C1 1090625621 VSMUIBUFARQZGL-DGCLKSJQSA-N 304.350 -0.327 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2cncc(C(N)=O)c2)[C@@H](O)C1 1090820645 UJHYWHDTGXNPBB-KGLIPLIRSA-N 316.361 -0.631 30 20 DBED C[C@H](CC(N)=O)C(=O)NC1[C@@H]2CN(c3nccnc3C#N)C[C@@H]12 1093332199 YIHJEQJBSBUDMQ-OPRDCNLKSA-N 314.349 -0.589 30 20 DBED CC[C@@H]1C[C@@H](C(=O)NCCN=c2cc[nH]c(C#N)n2)CC(=O)N1 1094005650 RNTITDJOOFIOTM-GHMZBOCLSA-N 316.365 -0.397 30 20 DBED CC(=O)NC(C)(C)C(=O)NCCCN=c1cc[nH]c(C#N)n1 1094498911 DVFFLGJNPHLFII-UHFFFAOYSA-N 304.354 -0.397 30 20 DBED CC1(C)C[C@@H]1C(=O)N1CCN(CC#N)[C@H]2CS(=O)(=O)C[C@H]21 1094622461 XNKFPDIYZJAXQP-GRYCIOLGSA-N 311.407 -0.134 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)c3c[nH]cc3C)CC2=O)C1 1094815425 SMUMKVLAZLEFPZ-LBPRGKRZSA-N 300.362 -0.029 30 20 DBED CN(c1ccc(C#N)nn1)[C@H]1CCN(C(=O)CNC(N)=O)C1 1095091653 RJAHMJRYOANBNM-JTQLQIEISA-N 303.326 -0.946 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H]1CC(=O)N(CCOC)C1 1095492289 XZPATSYVDPVARK-XGUBFFRZSA-N 319.405 -0.164 30 20 DBED N#Cc1ccc(N2CC[C@@H](NC(=O)CCNC(N)=O)C2)cn1 1096378608 VIQGWYRXFXRDCQ-LLVKDONJSA-N 302.338 -0.293 30 20 DBED CC(C)(C(N)=O)C(=O)N[C@H]1C[C@H](Nc2ccc(C#N)nn2)C1 1097075178 JVWOQOGWTIIOMV-MGCOHNPYSA-N 302.338 -0.081 30 20 DBED C[C@H](CC(N)=O)C(=O)N[C@H]1C[C@H](Nc2ccc(C#N)nn2)C1 1097086616 SAYNCCXYWVUJDV-FBIMIBRVSA-N 302.338 -0.081 30 20 DBED C#CCCN(CCO)C1CCN(C(=O)[C@H]2CCC(=O)N2C)CC1 1098460026 TZZWZISEHKMENG-OAHLLOKOSA-N 321.421 -0.084 30 20 DBED N#Cc1cnc(N[C@H]2CCC[C@H](NC(=O)CNC(N)=O)C2)cn1 1098590296 RSHJWXXWNNHCSO-UWVGGRQHSA-N 317.353 -0.144 30 20 DBED CN1CC[C@H](C(=O)N2C[C@@H](NCC#N)[C@H](C(F)(F)F)C2)C1=O 1099294256 HUUQHWBKJHGVDO-IVZWLZJFSA-N 318.299 -0.033 30 20 DBED C=CCCC(=O)N[C@H]1CCN(CCCS(C)(=O)=O)C[C@@H]1O 1099724572 OWYFRZQWLWNSRH-STQMWFEESA-N 318.439 -0.061 30 20 DBED CCN(CCNC(=O)[C@@]1(C)CNC(=O)C1)c1ccc(C#N)nn1 1100671303 VUZASKLNXAGTFF-OAHLLOKOSA-N 316.365 -0.183 30 20 DBED CCN(CCNC(=O)[C@@H]1CCC(=O)N1C)c1ccc(C#N)nn1 1100679465 XVABTCFKLOPDIR-LBPRGKRZSA-N 316.365 -0.088 30 20 DBED CCN(CCNC(=O)c1c[nH]c(=O)cn1)c1cncc(C#N)n1 1100701941 UWFSEEXDSHFBQW-UHFFFAOYSA-N 313.321 -0.312 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H]1CN(CCOCC)C[C@H]1C 1101898106 XRDLZCBFGGZYNO-ZIAGYGMSSA-N 309.410 -0.154 30 20 DBED Cc1c[nH]c(C(=O)NC[C@@H]2CN(CC(=O)NCC#N)C[C@H]2C)n1 1102449075 IBUIEKWTRRWEQU-ZYHUDNBSSA-N 318.381 -0.344 30 20 DBED CCn1nncc1C(=O)NC[C@H](C)CN=c1cc[nH]c(C#N)n1 1103931193 NJNHIZFTQNWUGZ-SNVBAGLBSA-N 314.353 -0.140 30 20 DBED C[C@H](CNc1ncccc1C#N)N(C)C(=O)Cn1ncnn1 1104687586 OCITXYUYYJPPJJ-SNVBAGLBSA-N 300.326 -0.101 30 20 DBED C[C@H](CNc1ccc(C#N)nc1)N(C)C(=O)[C@H]1CNC(=O)N1 1104784986 KUHHOZXZILYXSO-BXKDBHETSA-N 302.338 -0.107 30 20 DBED C#CCNCc1cn(C2CN(C(=O)[C@@H]3CCO[C@H]3C=C)C2)nn1 1105328469 GQOSIVVFJOBCNA-CABCVRRESA-N 315.377 -0.025 30 20 DBED N#Cc1nc(=NC[C@H](O)CNC(=O)C[C@H]2CCCOC2)cc[nH]1 1105859163 YWCFRIKMICTPDZ-NEPJUHHUSA-N 319.365 -0.524 30 20 DBED COCCCC(=O)N1C[C@@H](C)[C@H](CNCC(=O)NCC#N)C1 1105871556 HQUKLZHOVXSXDK-CHWSQXEVSA-N 310.398 -0.263 30 20 DBED N#Cc1nc(=NC[C@@H](O)CNC(=O)Cc2cncs2)cc[nH]1 1105992853 BDGLBWHQKUZNQW-SECBINFHSA-N 318.362 -0.642 30 20 DBED N#Cc1nc(=NC[C@H](O)CNC(=O)[C@@H]2C[C@@H]3C[C@@H]3C2)cc[nH]1 1106069107 LKASTHMLHNUJCT-QCNOEVLYSA-N 301.350 -0.295 30 20 DBED Cc1ccnn1CC(=O)NC[C@H](O)CNc1ccc(C#N)nn1 1106134485 WRCRJRZPIQGXOL-GFCCVEGCSA-N 315.337 -0.558 30 20 DBED CCC(=O)N[C@@H](C)C(=O)NC[C@@H](O)CNc1ncccc1C#N 1106140498 KQZQGQMLSWIJCM-JQWIXIFHSA-N 319.365 -0.243 30 20 DBED N#Cc1nc(=NC/C=C/CNC(=O)[C@@H]2CCNC(=O)C2)cc[nH]1 1107122314 RZMKSEHFRVAWKQ-FMBMQGQPSA-N 314.349 -0.619 30 20 DBED C#CCCN1CCO[C@](C)(CNC(=O)Cc2n[nH]c(C)n2)C1 1107936132 KTAVBGGHWWYEHP-OAHLLOKOSA-N 305.382 -0.114 30 20 DBED C[C@@H](CNc1ccc2nnnn2n1)NC(=O)c1c[nH]c(C#N)c1 1108321574 XWXGHRZHTOCBCM-QMMMGPOBSA-N 311.309 -0.051 30 20 DBED C[C@@H](CNc1ccc(C#N)nc1)NC(=O)C[C@@H]1CC(=O)NC1=O 1108436052 UNJUFIQODVAVQA-VHSXEESVSA-N 315.333 -0.077 30 20 DBED CC(C)(C)C#CC(=O)N[C@@H]1CC(=O)N(C2CN(CCCO)C2)C1 1108545451 WFOJYFUZYCZHGO-CYBMUJFWSA-N 321.421 -0.180 30 20 DBED C=CCNC(=O)CN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC(N)=O)C2 1108648535 MBJPKWQDLVAONA-TUAOUCFPSA-N 308.382 -0.867 30 20 DBED COCC(=O)N(C)CC(=O)N[C@@H](C)CN=c1cc[nH]cc1C#N 1108745504 HRJDQRUEKGBDDG-NSHDSACASA-N 319.365 -0.603 30 20 DBED CN(CCCNc1cncc(C#N)n1)C(=O)CS(C)(=O)=O 1109381430 VXPWWLKAFDFKPK-UHFFFAOYSA-N 311.367 -0.347 30 20 DBED C[C@@]1(NC(=O)CNC(N)=O)CCN(c2ncccc2C#N)C1 1110709181 UKSZKDRBMGGGKQ-CQSZACIVSA-N 302.338 -0.293 30 20 DBED CN(C)CCC(=O)NC[C@]1(O)CCN(c2cncc(C#N)n2)C1 1111126410 WGBVHJZAXUCPPK-OAHLLOKOSA-N 318.381 -0.643 30 20 DBED N#Cc1c[nH]ccc1=NCCN(CCO)C(=O)c1cn[nH]c1 1111444279 WKKCBZKCCXYPBP-UHFFFAOYSA-N 300.322 -0.355 30 20 DBED C#CCCCC(=O)N(CCO)CCNc1nccn2nnnc12 1111466934 OFMNHLLHFUQJNN-UHFFFAOYSA-N 317.353 -0.444 30 20 DBED COC1(CC(=O)N2CCN(CC(=O)NCC#N)CC2)CCC1 1112812344 XYNJXSZGVZSDFK-UHFFFAOYSA-N 308.382 -0.270 30 20 DBED C[C@H](CNC(=O)Cn1cnnn1)N(C)c1ccncc1C#N 1113487723 RWWFRVAMTPDZQR-SNVBAGLBSA-N 300.326 -0.419 30 20 DBED CCN1CC[C@H](N2C[C@@H]3C(NC(=O)CSCC#N)[C@H]3C2)C1=O 1113896711 HEZBHGUBLBFIBS-SRVKXCTJSA-N 322.434 -0.090 30 20 DBED C=CCOCCN1C[C@H]2[C@H](NC(=O)[C@H]3COCCN3C)[C@H]2C1 1114146815 JBAHCPOZIGBGBV-BARDWOONSA-N 309.410 -0.434 30 20 DBED C#CCCCC(=O)NC1[C@@H]2CN([C@H](C)C(=O)NCC#C)C[C@@H]12 1114201374 ODGGBKCBZLLVOK-MGPQQGTHSA-N 301.390 -0.026 30 20 DBED Cc1ccc(C(=O)NC2[C@H]3CN(CC(=O)NCC#N)C[C@H]23)nn1 1114245210 JHFLNKPDSCYITR-QWRGUYRKSA-N 314.349 -0.915 30 20 DBED C#CCOCCC(=O)N[C@H]1[C@@H]2CN([C@@H](C)C(=O)NCCC)C[C@@H]21 1114262464 DPXCLLFMWUDXNI-TTZDDIAXSA-N 321.421 -0.013 30 20 DBED C#CCOCCC(=O)N[C@H]1[C@@H]2CN(Cc3cnnn3CC)C[C@@H]21 1114265458 FFVGRAAEDHVNAI-FOLVSLTJSA-N 317.393 -0.116 30 20 DBED C=CCOCCN1C[C@H]2[C@H](NC(=O)C[C@H](C)NC(N)=O)[C@H]2C1 1114277685 GVVQMGMWFLQVEC-CIQGVGRVSA-N 310.398 -0.318 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)CCO1 1117021322 MLCVGMOIOZIHDT-GFCCVEGCSA-N 318.289 -0.038 30 20 DBED C=CCNC(=O)Cn1nnnc1N1CC[S@](=O)C[C@@H](C)C1 1120156225 MSWYTKRKHRGVTL-CWKPULSASA-N 312.399 -0.820 30 20 DBED Cc1ncoc1C(=O)NC[C@H](CO)Nc1ccc(C#N)nn1 1121432654 ORPSRLXJXCUAQE-SNVBAGLBSA-N 302.294 -0.153 30 20 DBED Cc1c[nH]nc1C(=O)NC[C@H](CO)Nc1cncc(C#N)n1 1121529135 VCSSTSYMQZOWLS-SNVBAGLBSA-N 301.310 -0.417 30 20 DBED Cc1n[nH]c(C)c1C(=O)NC[C@@H](CO)Nc1nccnc1C#N 1121920644 NECXYQZBJWPGKK-JTQLQIEISA-N 315.337 -0.109 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H](CO)Nc1cncc(C#N)n1 1122034512 BASZVEHZHUKYRF-PWSUYJOCSA-N 303.322 -0.724 30 20 DBED N#Cc1nccnc1N[C@H](CO)CNC(=O)c1csnn1 1122363634 IJDOARYMVZBCFP-ZETCQYMHSA-N 305.323 -0.597 30 20 DBED Cc1nonc1C(=O)N(C)C[C@H](O)CN=c1cc[nH]c(C#N)n1 1124399590 SWFOSRNXQWJINO-SECBINFHSA-N 317.309 -0.993 30 20 DBED C=CCCO[C@@H](C)C(=O)NCCNC[C@@H](O)Cn1cccn1 1124495473 PDXKAOBVTFSBFA-UONOGXRCSA-N 310.398 -0.069 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C[C@@H](O)CNc1ccc(C#N)nn1 1124520874 XDWNTQJFTFKDBL-AAEUAGOBSA-N 317.349 -0.382 30 20 DBED CN(C[C@H](O)CNc1cncc(C#N)n1)C(=O)c1cnco1 1124621348 HOHILRMOUWKVDS-SNVBAGLBSA-N 302.294 -0.119 30 20 DBED C=CCN1CCn2ncc(CNC(=O)CN(C)C(C)=O)c2C1 1128217749 DHUVORBOWFGWEB-UHFFFAOYSA-N 305.382 -0.021 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@H](n2ccnn2)[C@H](NCC#N)C1 1129837261 ABRAKLNOTNSDAV-UPJWGTAASA-N 302.338 -0.819 30 20 DBED C#CCCN1C[C@H]2C[C@H]3CN(C(=O)CNC(C)=O)C[C@@]3(C1)O2 1131175116 VZFWIHHXYXPXDL-SQWLQELKSA-N 305.378 -0.553 30 20 DBED CCC(=O)N[C@H](C)C(=O)N1C[C@@H]2C[C@@H]3CN(CC#N)C[C@]2(C1)O3 1131230562 LLXMNHXZAWCKRA-OQMKEHIESA-N 320.393 -0.274 30 20 DBED C=CCCN1CCNC(=O)CCN(C(=O)CC(=O)NCC)CC1 1131357330 QCUQKDJMDJHEPQ-UHFFFAOYSA-N 324.425 -0.261 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)c2cnn[nH]2)CC[C@H]1C 1132145668 RKTBYJUSJFLNKN-MNOVXSKESA-N 306.370 -0.310 30 20 DBED C#CCNC(=O)CN1C[C@H](NC(=O)CCN(C)C)CC[C@H]1C 1132272949 CJNIGUYBPUCNMD-ZIAGYGMSSA-N 308.426 -0.343 30 20 DBED C[C@H]1CCN(C(=O)CCn2ncn(C)c2=O)C[C@@H]1CNCC#N 1132997802 KKEVSEYCYWFNRP-STQMWFEESA-N 320.397 -0.430 30 20 DBED C=CCCCC(=O)NCCNCc1cc(=O)n(C)c(=O)n1C 1133157622 NIACHKCLTPEIJE-UHFFFAOYSA-N 308.382 -0.354 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)CCOCC#C 1134351530 HHYZOYBQLSZZRG-ZIAGYGMSSA-N 307.394 -0.351 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)CCNC(=O)C1CCC1 1135201635 JHYWGARMGOFXJT-GFCCVEGCSA-N 324.425 -0.311 30 20 DBED COCC#CCNCCNC(=O)c1csc(-c2nc[nH]n2)n1 1135231941 RMVKFTNNPIMFGP-UHFFFAOYSA-N 320.378 -0.103 30 20 DBED C[C@@H](C[C@H](C)NC(=O)c1c[nH]nc1S(N)(=O)=O)NCC#N 1135460994 VVUPLKXWDDWLHL-YUMQZZPRSA-N 314.371 -0.933 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCCO[C@H](CNC(=O)COC)C1 1148951816 WRUYCYNMULUTDN-CHWSQXEVSA-N 313.398 -0.469 30 20 DBED COC[C@@H](O)CN1CCCO[C@H](CNC(=O)C#CC2CC2)C1 1149694767 UFHXYPLVJJQMNN-LSDHHAIUSA-N 310.394 -0.386 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cc(OC)ccc1OC 1150570646 FUCLYNGXWIOKHW-UHFFFAOYSA-N 319.361 -0.227 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cnc(C(C)(C)C)nc1 1153699626 GJAKKVCKODYIDN-UHFFFAOYSA-N 317.393 -0.157 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)C1CC(OC)C1 1153932886 GMLIDVFCSKRKSQ-IYXRBSQSSA-N 309.410 -0.013 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)c1cn(C)nc1C 1155899755 WEPMYSVTRNLWOC-GFCCVEGCSA-N 305.382 -0.424 30 20 DBED C#CCNC(=O)CC(=O)NCCCNCc1ncnn1C(C)C 1156857258 JWDYNMLQRQUCKP-UHFFFAOYSA-N 320.397 -0.406 30 20 DBED C#CCO[C@@H](C)C(=O)NCCC1(CNC[C@@H](O)COC)CC1 1164508919 OYNZYVYCCLABDY-UONOGXRCSA-N 312.410 -0.092 30 20 DBED C[C@H]1C[C@@H](C(=O)NCCCNCC(=O)NCC#N)CCN1C 1164574255 DVOQEYOZCJREIJ-STQMWFEESA-N 309.414 -0.548 30 20 DBED COCCN1C[C@H](C(=O)NCCC2(CNCC#N)CC2)CC1=O 1165305962 DQCSPQSMNKMOEF-CYBMUJFWSA-N 322.409 -0.119 30 20 DBED N#CCNC(=O)CNCCCNC(=O)c1ccc2nccn2c1 1170861017 ZBOOILXXQKXVCX-UHFFFAOYSA-N 314.349 -0.316 30 20 DBED C[C@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)Cc1cncnc1 1178559779 IFWLTKFJTVLEAI-AAEUAGOBSA-N 316.365 -0.762 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC[C@H](NCc2nnn(C)n2)[C@@H]1C 1178587441 MEFSXTNLTGIPPA-MJVIPROJSA-N 308.386 -0.384 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2cccn2C)C1 1180993097 DVKKPZJNAFVGAI-CHWSQXEVSA-N 302.378 -0.033 30 20 DBED C#CCNC[C@@H]1CN(C(=O)[C@@H]2CCNC2=O)CC12CCOCC2 1186445035 KVLFPHKBZYVLIA-ZIAGYGMSSA-N 319.405 -0.400 30 20 DBED C=CCN1CC[C@H](N[C@@H]2CCN(C(=O)CCCC(N)=O)C2)C1=O 1188391084 QKEYZJLTTLOIMB-OLZOCXBDSA-N 322.409 -0.381 30 20 DBED CC#CCN1C[C@@H]2CCN(C(=O)CS(=O)(=O)N(C)C)[C@@H]2C1 1189999394 RXSRMQRNLPPPED-QWHCGFSZSA-N 313.423 -0.566 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C2CCCCC2)C1 1190700114 DFYMLZQUQDYAHT-ZIAGYGMSSA-N 307.394 -0.523 30 20 DBED C=CCOCCN(C)[C@@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 1191041465 SXOOYQCAQJLZFT-CYBMUJFWSA-N 323.397 -0.683 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)[C@H](C)n2cccn2)C1 1191177476 AXCJEGAZGXZVLU-BFHYXJOUSA-N 306.366 -0.745 30 20 DBED C#CCCCC(=O)N[C@@H]1CN([C@H](C)C(=O)NCC#C)C[C@H]1O 1192524197 FIQAEEYJULSONQ-MGPQQGTHSA-N 305.378 -0.911 30 20 DBED C=CCCCN1C[C@@H](O)[C@H](NC(=O)CN(C)C(=O)C2CC2)C1 1193473168 LWTJOTHYOSHLAE-ZIAGYGMSSA-N 309.410 -0.018 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCCN2C)C1 1194119537 XKPPQCHVSWSYBT-QLFBSQMISA-N 311.426 -0.165 30 20 DBED N#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C2CC3(CCC3)C2)C1 1195459672 HRBPRZHHINLAGR-CHWSQXEVSA-N 320.393 -0.632 30 20 DBED C#CCNC(=O)[C@H](C)NC1CCN(C(=O)c2cn(C)nn2)CC1 1200371036 IHCSFTUCZJNTJZ-NSHDSACASA-N 318.381 -0.853 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC(NCc2ncnn2C)CC1 1200532445 QXDLSPYXFVUCNI-GFCCVEGCSA-N 305.382 -0.066 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)Cc2ccc[nH]2)CC1 1203807649 YDCJYZSERJINSN-UHFFFAOYSA-N 302.378 -0.113 30 20 DBED N#CCNC(=O)CNCC1CCN(C(=O)[C@H]2CCOC2)CC1 1204692265 IJBAIHGSNXJTCO-ZDUSSCGKSA-N 308.382 -0.509 30 20 DBED C[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1NC(=O)C#CC(C)(C)C 1206948244 BAMJLDVSLBVLIK-GHMZBOCLSA-N 308.382 -0.333 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@H](NCc2nc(C)no2)C1 1207869762 LFEYITWLQASUAC-LBPRGKRZSA-N 319.365 -0.402 30 20 DBED C=CCCCC(=O)N[C@@H]1CN([C@H]2CCC(=O)NC2=O)C[C@H]1OC 1213357208 KGCYBCSPGNQJNJ-FRRDWIJNSA-N 323.393 -0.037 30 20 DBED C#CCCN[C@@H]1CN(C(=O)CNS(=O)(=O)CC)C[C@H]1C 1214761745 JHAKEZDTJNYWFQ-VXGBXAGGSA-N 301.412 -0.615 30 20 DBED C#CCCCCC(=O)N[C@@H]1CN(CC(=O)NCC=C)C[C@@H]1O 1219481961 FFOILHRKKXVJNC-KGLIPLIRSA-N 307.394 -0.357 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2ccn(C)n2)C[C@@H]1O 1221143534 IFIVZULLOBYKKU-BNOWGMLFSA-N 308.382 -0.328 30 20 DBED C#CCOCCC(=O)N1C[C@H]2CCN([C@H]3CCCNC3=O)C[C@H]21 1221544999 RLXKGKKHNWQITP-QLFBSQMISA-N 319.405 -0.162 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCCC[C@H]1NC(=O)CC(N)=O 1225500943 IGOXTUMENBAZGP-QJPTWQEYSA-N 308.382 -0.983 30 20 DBED COCC[C@H](C)C(=O)NC1CCN(CC(=O)NCC#N)CC1 1230307096 PJUDADZFZGGECZ-LBPRGKRZSA-N 310.398 -0.121 30 20 DBED C=CCNC(=O)CN1CC[C@H]1CN(C)C(=O)Cn1cccn1 1230759099 NXBGHJAGGZDFSX-ZDUSSCGKSA-N 305.382 -0.282 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)c1cc(C)[nH]n1 1230900500 UCWUVZMKDFETNK-GFCCVEGCSA-N 303.366 -0.386 30 20 DBED C=C[C@@](C)(O)CC(=O)N(C)C[C@@H]1CCN1CC(=O)NCC#N 1233977537 NPIKYHJPFNBPNU-SWLSCSKDSA-N 308.382 -0.514 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C[C@@H]1CCN1Cc1cnnn1C 1234215567 MSVKGEIKDLDQNP-STQMWFEESA-N 305.382 -0.114 30 20 DBED C#CC[C@@H](CO)NC(=O)N[C@H]1CCN(C2CCOCC2)C1=O 1262192060 RKCJHCMSSSECCD-AAEUAGOBSA-N 309.366 -0.550 30 20 DBED C=CCNC(=O)CNC[C@H]1CCCCN1C(=O)CC(=O)NCC 1266866777 QVJZENUIZZAJPQ-CYBMUJFWSA-N 324.425 -0.215 30 20 DBED COC[C@](C)(C#N)NC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 1319730528 BNSYVBBJJNXPLW-NSKJNOKESA-N 321.333 -0.806 30 20 DBED C=CCNC(=O)CNC(=O)C(=O)Nc1cnn(CC(F)F)c1 1319983494 GVQZBBZIQNJQNV-UHFFFAOYSA-N 315.280 -0.495 30 20 DBED C=CCS(=O)(=O)CCNC(=O)NCc1nnc2n1CCC2 1320281317 CSLVEZVSCVGFFG-UHFFFAOYSA-N 313.383 -0.376 30 20 DBED COCCn1cc(NC(=O)C(=O)N(C)CCC#N)ccc1=O 1321465708 NYLWDIUNRGUUEC-UHFFFAOYSA-N 306.322 -0.195 30 20 DBED Cc1noc(CCCNS(=O)(=O)N2CCO[C@H](C#N)C2)n1 1321691108 ZDXZXQWZKLRWSG-SNVBAGLBSA-N 315.355 -0.631 30 20 DBED CN(CCNS(C)(=O)=O)Cn1nc(CC#N)n(C)c1=S 1325011636 LXPFVFGPAYEILS-UHFFFAOYSA-N 318.428 -0.544 30 20 DBED N#Cc1cccc(NC(=O)C(=O)N2CCC[C@H](C(N)=O)C2)n1 1326361057 FLERQFUKGJSZTO-VIFPVBQESA-N 301.306 -0.384 30 20 DBED CC[C@H](C)N1CCN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)CC1 1327042076 KSWGWALPQZCSFG-XJKSGUPXSA-N 322.409 -0.194 30 20 DBED C=CCOCCNC(=O)C(=O)N1CCc2nnc(O)cc2C1 1330188710 OMVCJCUYNXJAGP-UHFFFAOYSA-N 306.322 -0.614 30 20 DBED C#CC[C@@H](NC(=O)C(=O)NCC(=O)NOC)c1ccccc1 1333158022 SBKCFVKRRDXGJP-GFCCVEGCSA-N 303.318 -0.339 30 20 DBED C=CCOCCNC(=O)C(=O)N1CC[C@H](OCCOC)C1 1333181637 OBUIDOZIDXLXOR-LBPRGKRZSA-N 300.355 -0.431 30 20 DBED CCCS(=O)(=O)N1CCC(NC(=O)C#CCOC)CC1 1335244743 FBXSVJVAOARIFN-UHFFFAOYSA-N 302.396 -0.043 30 20 DBED C[C@@H]1C[C@H](O)CN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1 1335584077 JXTCXPZISBFIEU-BNOWGMLFSA-N 320.393 -0.586 30 20 DBED CC#CCN(C)c1nnnn1CC(C)(C)NS(C)(=O)=O 1337401908 GJNWEPLNZGPTHE-UHFFFAOYSA-N 300.388 -0.540 30 20 DBED C=CCn1c([C@H](C)CO)nnc1N1CCN2C(=O)NC[C@@H]2C1 1338992792 MNFBJPRNALMKRX-GHMZBOCLSA-N 306.370 -0.226 30 20 DBED C#CCNCC(=O)NCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 1341502661 NZJTXYMWNQUUBJ-IMIFBBOLSA-N 301.346 -0.868 30 20 DBED COCCOCCN(C)C(=O)C(=O)Nc1ccn(CCC#N)n1 1343003393 AEGMVWYLSPVAGE-UHFFFAOYSA-N 323.353 -0.143 30 20 DBED C#CCSCCNC(=O)C(=O)N[C@@H]1CCc2nc(C)nn2C1 1346026588 MFFNPZDOCOHPOK-LLVKDONJSA-N 321.406 -0.500 30 20 DBED C=C[C@H](COC)NC(=O)[C@H](CO)NC(=O)c1cccc(F)n1 1349565249 ZUIUSAURBHRDQE-KOLCDFICSA-N 311.313 -0.371 30 20 DBED C=CCn1c(N2CCO[C@H](CNC(C)=O)C2)nnc1C1(O)CC1 1355980844 FQQVBWQKKLYVKF-GFCCVEGCSA-N 321.381 -0.213 30 20 DBED CC[C@@H](CNS(C)(=O)=O)NC(=O)[C@@H](C)n1cnc(C#N)n1 1361559173 ICMUQILWJWBMLU-BDAKNGLRSA-N 314.371 -0.845 30 20 DBED N#Cc1cn(CC(=O)N2CC(n3ccnc3)C2)c(=O)nc1O 1362295500 HZRUTGUHRXTFDF-UHFFFAOYSA-N 300.278 -0.899 30 20 DBED C[C@@H](O)C[C@H]1CCCN1C(=O)Cn1cc(C#N)c(O)nc1=O 1362313931 QNRZZWFOFVEETA-MWLCHTKSSA-N 306.322 -0.418 30 20 DBED Cc1n[nH]cc1CN(C)C(=O)Cn1cc(C#N)c(O)nc1=O 1362591719 OOOQYRHEJCJYMF-UHFFFAOYSA-N 302.294 -0.489 30 20 DBED C[C@H](CNC(=O)CS(C)(=O)=O)NC(=O)c1cc(C#N)c[nH]1 1397394239 VBJQWUURAFENOW-MRVPVSSYSA-N 312.351 -0.835 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1c(Cl)cnn1C 1399839155 KUPZNQXFHONAOF-HTQZYQBOSA-N 313.745 -0.560 30 20 DBED CC(C)S(=O)(=O)CC(=O)NC1(CNC(=O)[C@@H](C)C#N)CC1 1400651825 KERQWGOQIVMSBK-JTQLQIEISA-N 315.395 -0.266 30 20 DBED COCCC(=O)NC[C@]1(O)CCN(C(=O)c2ccc(C#N)[nH]2)C1 1401044796 WMJDINNCVRRZQE-OAHLLOKOSA-N 320.349 -0.384 30 20 DBED CCN(CCC#N)C(=O)CN1CC(NC(=O)[C@@H](C)CC(N)=O)C1 1404812955 WLUDSVYPBTWUHW-NSHDSACASA-N 323.397 -0.940 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@](C)(CNC(=O)CCNC(N)=O)C1 1411118620 LUPOYPIWQVAUQG-ABAIWWIYSA-N 323.397 -0.051 30 20 DBED C[C@@H](CC[S@](C)=O)NC(=O)Cn1cc(C#N)c(O)nc1=O 1412590696 LHQLZRATLDQWRC-PPRQPISWSA-N 312.351 -0.906 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CCN(C(=O)CN2CCOCC2)C1 1414591724 ACCLLKQFLDFLTK-STQMWFEESA-N 308.382 -0.462 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CCCN(C(=O)CN2CCOCC2)C1 1415959976 TXVUHBMVQYECGS-OLZOCXBDSA-N 308.382 -0.415 30 20 DBED CCOC(=O)[C@@H](NC(=O)Cn1cc(C#N)c(O)nc1=O)C1CC1 1417638531 IQSXDCMDMHXSFC-NSHDSACASA-N 320.305 -0.722 30 20 DBED C=C(Cl)CNC[C@H](O)CNC(=O)c1cc(C(N)=O)ccn1 1422410818 ZOPFQKCDSBEPNL-JTQLQIEISA-N 312.757 -0.387 30 20 DBED CC(=O)NCC(=O)N1CC[C@@H](CNC(=O)c2c[nH]c(C#N)c2)C1 1454809124 SBTBITKIQLYHOG-NSHDSACASA-N 317.349 -0.399 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]1CNC(=O)CCCn1cncn1 1458816922 SHMCXRCMRKPMHE-VXGBXAGGSA-N 304.354 -0.065 30 20 DBED COC(=O)[C@@H](COC1CCC1)N(C)C(=O)Cn1cnc(C#N)n1 1466048029 RCSWQTZAWNHLQO-LLVKDONJSA-N 321.337 -0.281 30 20 DBED COC(=O)CNC(=O)[C@H]1CCCN1c1cc(C#N)nc(C)n1 1472812111 ZDHFLXVUUIBDFG-LLVKDONJSA-N 303.322 -0.085 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCN1CCN(CC(=O)NC2CC2)CC1 1481466407 AQJMYAXCUDDWEO-ZDUSSCGKSA-N 321.425 -0.499 30 20 DBED C=C(Cl)CNC[C@H](O)CNC(=O)Cn1ccc(C)cc1=O 1482772542 HIBKPWHUZVGGHR-LBPRGKRZSA-N 313.785 -0.024 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC[C@H](NC(=O)c2csnn2)C1 1490443652 UWMPKTWIIKLUCA-MNOVXSKESA-N 321.406 -0.130 30 20 DBED C=CCn1c(C2CC(O)C2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1520386725 SMMMUZIIZUARHQ-MOENNCHZSA-N 318.381 -0.084 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H](O)CNC(=O)C[C@@H]2CCOC2)c1 1533213275 BKWOQGRGODXTOI-CMPLNLGQSA-N 320.349 -0.480 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)C[C@@H]2CCC(=O)N2C)CC1 1535888405 MGYQPQGOUHMCIZ-MNOVXSKESA-N 306.366 -0.078 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1CCN(CC(=O)N(C)C)C1 1566675035 KHBHBZZSFDKQLA-KBPBESRZSA-N 324.425 -0.264 30 20 DBED CCN(CCC#N)S(=O)(=O)N[C@H]1CN(C(=O)O)C[C@H]1CO 1573770868 CRZQTZHMEBLWAQ-UWVGGRQHSA-N 320.371 -0.973 30 20 DBED C[C@@H](CN(C)c1ccc(-c2nn[nH]n2)nn1)NC(=O)[C@@H](C)C#N 1574793096 WLDLAXOQCNAGKL-IUCAKERBSA-N 315.341 -0.243 30 20 DBED N#Cc1cn(C2CN(C(=O)[C@H]3CCCCN3)C2)c(=O)nc1O 1580081101 SMZCSYXBBLYRNO-LLVKDONJSA-N 303.322 -0.654 30 20 DBED NC[C@@H]1CN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)CCCO1 1580268963 PZECWWKQHQQRMQ-PHIZWAGYSA-N 322.365 -0.521 30 20 DBED N#Cc1nc(N2CCN3C(=O)OC[C@H]3C2)cnc1-c1nn[nH]n1 1581879460 MGDOEBVOVCFMDS-SSDOTTSWSA-N 313.281 -0.831 30 20 DBED C#CCN(CC(=O)O)C(=O)CCc1nc(O)c2cnn(C)c2n1 1588402182 NWVXGTLLBXZPQY-UHFFFAOYSA-N 317.305 -0.452 30 20 DBED C=CCOC[C@@H](NC(=O)C[C@@H]1C=CS(=O)(=O)C1)C(=O)O 1588854010 NWCDYDTVKHQZDP-VHSXEESVSA-N 303.336 -0.293 30 20 DBED CN(C[C@H](O)CN1CCOCC1)c1ccc(C(=O)O)nc1C#N 1598437354 XCYCIVHMJLLWOH-NSHDSACASA-N 320.349 -0.219 30 20 DBED C#C[C@H](NC(=O)N1C[C@H](O)C[C@@H](C(=O)O)C1)C1CCOCC1 1602674858 WUZNWKUQEXWARS-UPJWGTAASA-N 310.350 -0.108 30 20 DBED C=C(C)C[C@H](NS(=O)(=O)N=[S@](C)(=O)N(C)C)C(=O)O 1602757700 TZVZSCFSHXSVGR-ASCAZGACSA-N 313.401 -0.185 30 20 DBED N#Cc1ncn(CCn2ccc([N+](=O)[O-])n2)c1-c1nn[nH]n1 1606398446 COPIHXWQNMDFRB-UHFFFAOYSA-N 300.242 -0.260 30 20 DBED N#Cc1ccc(CNC(=O)C(=O)N2CCO[C@@H](C(=O)O)C2)cc1 1608205225 YDINXOUOKJVZOX-GFCCVEGCSA-N 317.301 -0.514 30 20 DBED N#Cc1nc(N)n(CC(=O)NC2CCCCC2)c1-c1nn[nH]n1 1609501050 XETPWCLQEREWNQ-UHFFFAOYSA-N 315.341 -0.034 30 20 DBED Cc1nc(C(=O)NCc2ccnc(C#N)c2)nn1-c1nc[nH]n1 1635744199 BGFDKADPJZDTJS-UHFFFAOYSA-N 309.293 -0.110 30 20 DBED C#CCNC(=O)CN1CCC[C@H](NC(=O)Cn2cncc2C)C1 1690042648 WGSHRXUZPYUTDB-AWEZNQCLSA-N 317.393 -0.478 30 20 DBED C#CCNC(=O)CN1CCC2(CC1)C[C@H]2NC(=O)[C@@H](C)OC 1752416408 OGUOBFMFSGWKBV-CHWSQXEVSA-N 307.394 -0.259 30 20 DBED C[C@H](CNC(=O)c1coc(C2CC2)n1)NCC(=O)NCC#N 1752903059 KYUBHCLMUDKESS-SECBINFHSA-N 305.338 -0.100 30 20 DBED COCC#CCN(C)[C@@H]1CCCN(C(=O)CS(C)(=O)=O)C1 1752988534 MUMJBHYJJNBJAN-CYBMUJFWSA-N 316.423 -0.396 30 20 DBED C#CCO[C@@H](C)C(=O)NCCN(C)CC(=O)Nc1ccon1 1753048933 KZKNXUPKIFEXBL-NSHDSACASA-N 308.338 -0.301 30 20 DBED CCN(CCNC(=O)c1ccnc(F)c1)CC(=O)NCC#N 1753078730 MRYKRXHZOUDOQR-UHFFFAOYSA-N 307.329 -0.088 30 20 DBED C=CCOCCN1[C@H]2CC[C@H]1CN(C(=O)Cn1cnnn1)C2 1753305767 MCVZETXGUCBKDC-STQMWFEESA-N 306.370 -0.449 30 20 DBED C#CCNC(=O)[C@H](C)N1CC(NC(=O)[C@H]2CCCCN2CC)C1 1753395944 ZPSWZTQOHSZGNH-DZGCQCFKSA-N 320.437 -0.201 30 20 DBED C#CCNC(=O)CN[C@@H](CC)CNC(=O)[C@@H](C)c1cnn(C)c1 1753498824 ZKOIZIURRLLWEA-JSGCOSHPSA-N 319.409 -0.243 30 20 DBED COCC#CCNCC1(NC(=O)[C@@H]2CN(C)CCO2)CCCC1 1753500543 JMZHVXXQQJNNCB-HNNXBMFYSA-N 323.437 -0.015 30 20 DBED C=CCNC(=O)CN1CCO[C@H](CNC(=O)c2cccnn2)C1 1753653980 MCMVUVYVPFVUAQ-GFCCVEGCSA-N 319.365 -0.791 30 20 DBED N#CCNCC[C@@H]1CCCCN1C(=O)c1nnc(O)nc1O 1753782335 ZUTOBVMEDJZRIU-VIFPVBQESA-N 306.326 -0.219 30 20 DBED C#CCNC(=O)CNC[C@H](O)CNC(=O)C12CCC(CC1)C2 1753913700 ASXONMRLAYBNGC-UYJPIKCFSA-N 307.394 -0.617 30 20 DBED COCC#CCNC[C@H](O)CNC(=O)CCc1ccnc(C)n1 1753922515 STEYOQDGTYQYTE-HNNXBMFYSA-N 320.393 -0.566 30 20 DBED C#CCNC(=O)[C@H](C)N(C)C[C@H](C)NC(=O)CCn1cncn1 1754302199 CJXFOSFKOUZKHN-STQMWFEESA-N 320.397 -0.757 30 20 DBED CC(C)SCC(=O)N[C@@H]1[C@H]2C[C@H]1N(CC(=O)NCC#N)C2 1754420139 CNYSBBRWKMDSSU-MISXGVKJSA-N 310.423 -0.043 30 20 DBED C=CCNC(=O)CN1CC[C@@H]1CNC(=O)CCc1nc[nH]n1 1754479549 YDHFHDLSVZGTIJ-LLVKDONJSA-N 306.370 -0.770 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@H]1CCN1CCN1C(=O)CCC1=O 1754480543 JBRFHSQVXDRHMO-MLGOLLRUSA-N 323.393 -0.347 30 20 DBED C=C(Cl)CN1CC[C@@](O)(CNC(=O)C2(C(=O)NC)CC2)C1 1754759139 DNALVCIWTHKEEC-CYBMUJFWSA-N 315.801 -0.182 30 20 DBED C#CCN1CCC[C@@](CO)(NC(=O)c2cnc(N(C)C)cn2)C1 1754856885 TXNZWQGZQGHJNO-MRXNPFEDSA-N 317.393 -0.268 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@@H](CCNCc2nc(O)n[nH]2)C1 1754915397 VPBPDNLWMAIZBC-VXGBXAGGSA-N 321.381 -0.123 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)CCc3ccncn3)CO2)C1 1755062348 XTHQHXRRZPPPIQ-CYBMUJFWSA-N 301.350 -0.108 30 20 DBED CCC[C@@H](C(=O)NC1CC(CNCC#N)C1)S(N)(=O)=O 1755214134 JJEHWWPIIWGXEB-ILDUYXDCSA-N 302.400 -0.548 30 20 DBED C#CCNC(=O)CN1CC(CCO)(NC(=O)CC2CCCC2)C1 1755329492 CGNLGJVIKZBSPM-UHFFFAOYSA-N 321.421 -0.131 30 20 DBED C[C@H]1[C@H](NCC(=O)NCC#N)CCN1C(=O)c1cnns1 1755662573 MJAUDNBRLUCIKU-DTWKUNHWSA-N 308.367 -0.630 30 20 DBED CC#CCN1CCC[C@H](NC(=O)CS(=O)(=O)NC)[C@H]1C 1755721539 OHFZUOKJVMNJMR-NEPJUHHUSA-N 301.412 -0.472 30 20 DBED COCC#CCNC[C@H](O)CN(C)C(=O)[C@H](C)n1cccn1 1755772487 CDOBGOLMPCPTNC-KBPBESRZSA-N 308.382 -0.497 30 20 DBED O=C(C#CC1CC1)NC[C@H](CO)NC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 1756519403 GZCJVWBPHHLRNC-KNCOVGOOSA-N 320.389 -0.192 30 20 DBED C=C1CC(C)(C(=O)NC[C@@H](CO)NC(=O)c2cnn(CC)n2)C1 1756548427 MCDALRGOBQRLGC-NSHDSACASA-N 321.381 -0.139 30 20 DBED C[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn[nH]c1)C2 1800986051 UUBXYVIDMDWJNF-IXLVHKGHSA-N 324.406 -0.069 30 20 DBED C[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)O)C2 1800988976 DHHFLIOGKZIVKW-NZHYYXIDSA-N 302.396 -0.725 30 20 DBED N#CCC(=O)NC[C@H]1CCN(C(=O)CN)[C@@H]1c1cccnc1 1806279506 MDXOUZHWFZUJPK-IUODEOHRSA-N 301.350 -0.040 30 20 DBED C#CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc(=O)n1O 1848346867 YEAGBZZQFKWNFQ-QWRGUYRKSA-N 301.302 -0.466 30 20 DBED C#CCNC(=O)COC(=O)[C@H](C)N1C(=O)[C@H]2CCCC[C@H]2C1=O 7731935 PTQOEUVXAYDNMX-SDDRHHMPSA-N 320.345 -0.157 30 20 DBED CCCN(CC#N)C(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1 87161048 YTPFNWBEUVKAOL-JTQLQIEISA-N 313.383 -0.151 30 20 DBED CNC(=O)CN(C)CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 92617398 FFVKLLKKQWQJBZ-ZDUSSCGKSA-N 309.414 -0.643 30 20 DBED Cn1c(=O)n(C)c2cc(S(=O)(=O)N(CC#N)CC#N)ccc21 171707766 NMIQQIQVRVXJLT-UHFFFAOYSA-N 319.346 -0.085 30 20 DBED C/N=C(/NCCNS(C)(=O)=O)N(C)Cc1cccn1C 261988857 QVIIRONKDFSLGG-UHFFFAOYSA-N 301.416 -0.419 30 20 DBED CS(=O)(=O)CC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 292208133 AYDZSQYVXIAITI-NSHDSACASA-N 309.347 -0.022 30 20 DBED C#CCOc1ccc(F)cc1NC(=O)NC(CO)(CO)CO 294314465 VJEDOJCSEOTFCW-UHFFFAOYSA-N 312.297 -0.325 30 20 DBED COC(=O)C[C@@H](NS(=O)(=O)c1cncc(C#N)c1)C(=O)O 294622216 YVBJNUILUPONDV-SECBINFHSA-N 313.291 -0.752 30 20 DBED C#CCN(C)CCCNC(=O)NCCCN1CCC[C@H]1C(N)=O 296782701 XOUPWHLBBYPYJA-AWEZNQCLSA-N 323.441 -0.420 30 20 DBED C[C@H]1CS(=O)(=O)C[C@H]1N/C(O)=N/CCN1CCOCC1 329586382 WTAYEDGFGYQRQY-WDEREUQCSA-N 305.400 -0.745 30 20 DBED O=S1(=O)CCCC[C@@H]1C/N=C(/O)N1CCO[C@@H](CO)C1 329729229 FSRQQJKSQNJMFA-GHMZBOCLSA-N 306.384 -0.439 30 20 DBED Cc1cccc(S(=O)(=O)N[C@@H]2CC(=O)N(C)C2=O)c1C#N 330481601 RRJMSNSOIMPATH-SNVBAGLBSA-N 307.331 -0.098 30 20 DBED N#Cc1ccnc(N2CCN(C(=O)Cn3cnnc3O)CC2)c1 333249143 JWWOEKAUEKOJTL-UHFFFAOYSA-N 313.321 -0.401 30 20 DBED COC(=O)c1cn(CCNS(=O)(=O)CCCCC#N)nn1 341096467 VMEPMJNDEHTIJZ-UHFFFAOYSA-N 315.355 -0.322 30 20 DBED N#Cc1cc([N+](=O)[O-])cnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 354387194 LMTDIHXDCWOQOM-SNVBAGLBSA-N 316.277 -0.992 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N[C@H]1CC(=O)N2CCCC[C@H]12 355258464 WZYQNSCIAYBISP-QWHCGFSZSA-N 323.393 -0.083 30 20 DBED C[C@H](C#N)NC(=O)[C@@](C)(O)CN1C(=O)NC2(CCCC2)C1=O 356570473 XRPXJIZRHCOILC-RNCFNFMXSA-N 308.338 -0.370 30 20 DBED C=CCN(CCC#N)C(=O)CCn1cc(S(N)(=O)=O)cn1 359424176 VZMMGNBMWCCKFO-UHFFFAOYSA-N 311.367 -0.151 30 20 DBED C[C@H](C#N)S(=O)(=O)N1CCN(C(=O)CN2CCCC2)CC1 416383361 HKAAXTRVFRURCZ-GFCCVEGCSA-N 314.411 -0.532 30 20 DBED C=C[C@@H](CO)NC(=O)c1ccc(C(=O)N[C@@H](C=C)CO)nc1 426850514 ITWIHLCBBUQEDW-RYUDHWBXSA-N 305.334 -0.365 30 20 DBED C#C[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1)C(C)C 490627297 BLSHIECEVDNUOX-PWSUYJOCSA-N 312.395 -0.139 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N2CCO[C@H]3CCC[C@H]32)CCO1 548773811 VTXVIFBYMQQHKI-UTUOFQBUSA-N 301.368 -0.291 30 20 DBED C=CCOC[C@H](NS(=O)(=O)N1C[C@H](C)O[C@H](C)C1)C(=O)O 567809441 UOYFMZGSWVOEJM-AXFHLTTASA-N 322.383 -0.414 30 20 DBED C=CCOC[C@H]1NC(=O)N([C@@H]2CCN(S(C)(=O)=O)C2)C1=O 567999533 SPHHXYZWGOKDBM-NXEZZACHSA-N 317.367 -0.857 30 20 DBED COC(=O)CNC(=O)CNS(=O)(=O)c1ccc(C#N)s1 575074445 HLZODVWXNHBKFF-UHFFFAOYSA-N 317.348 -0.813 30 20 DBED CN(CCC#N)C[C@H](O)CNCCCN1CCCS1(=O)=O 591732477 APSXJGMBLHCFLK-CYBMUJFWSA-N 318.443 -0.792 30 20 DBED C[C@@H]1CN(C[C@@H](O)CNCCn2cnc(C#N)n2)C[C@@H](C)O1 591766633 QLRKRKGGYYCNQA-UPJWGTAASA-N 308.386 -0.791 30 20 DBED COC(=O)[C@@H]1C[C@H](O)CN(C(=O)[C@H](C)n2cnc(C#N)n2)C1 592934617 YXORXTMHXUPGFJ-AEJSXWLSSA-N 307.310 -0.907 30 20 DBED CCN(CCC#N)S(=O)(=O)NCC[C@]1(O)CCCOC1 593660551 JPXYDUYOHNOYLO-GFCCVEGCSA-N 305.400 -0.012 30 20 DBED C[C@@H](C#N)N(CC(=O)N1CCN(CC(=O)N(C)C)CC1)C1CC1 595714680 YCRRQABZEDBJFV-ZDUSSCGKSA-N 321.425 -0.405 30 20 DBED C=C[C@@H](O)C(=O)N1CCC(C(=O)OCC)([S@@](C)=O)CC1 597711472 DSYQDJTXJTXKSQ-CFMSYZGJSA-N 303.380 -0.164 30 20 DBED C[C@@H]1CCCN(C(=O)C(=O)N2CCN(CCC#N)CC2)[C@@H]1CN 601585013 VHUYKQWEXJDGJE-ZIAGYGMSSA-N 321.425 -0.370 30 20 DBED CC#CC[C@H](CO)NC(=O)[C@H](C(C)C)N1CCCS1(=O)=O 649184081 CCTNJFAQQAYGIO-OLZOCXBDSA-N 316.423 -0.063 30 20 DBED C=CCNC(=O)CN1C[C@H]2CC[C@H]1CN2CC(=O)NCC=C 660782522 KFPGPTGAQICIBQ-OKILXGFUSA-N 306.410 -0.261 30 20 DBED C=CCn1c(C(=O)NC(C)C)nnc1N1CCC(O)(CO)CC1 669064892 DHIICBGLRWGDMO-UHFFFAOYSA-N 323.397 -0.074 30 20 DBED COCC(=O)N(C)CC(=O)O[C@@H](C(N)=O)c1ccc(C#N)cc1 758799066 JGBOICQLBSCOSP-CQSZACIVSA-N 319.317 -0.267 30 20 DBED C#CCOCCOC(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 762712780 ZBQAMYNRSBEISR-HBJVGIJOSA-N 321.329 -0.268 30 20 DBED CCC(=O)N1CC[C@@H](C(=O)NS(=O)(=O)CCCC#N)C1 776116183 KCPGNGPMHWNDDY-SNVBAGLBSA-N 301.368 -0.005 30 20 DBED C[C@H]1CN=C(NN=C2CCN(CCN3CCOCC3)CC2)N1 779800439 ZNZBAJQFCDKQDU-ZDUSSCGKSA-N 308.430 -0.292 30 20 DBED N#Cc1cnn2c(O)cc(COC(=O)[C@H]3CNC(=O)N3)nc12 783611159 DOVJZQDDANACRS-MRVPVSSYSA-N 302.250 -0.969 30 20 DBED C#CCOCCOC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C 789447087 FLNUKLDRDDROHO-UHFFFAOYSA-N 319.317 -0.618 30 20 DBED C#CCCCS(=O)(=O)N1CCN(c2nc(N)ns2)CC1 805035626 OEJKCYCMJCMXLN-UHFFFAOYSA-N 315.424 -0.015 30 20 DBED N=C(N)NN=Cc1ccc(S(N)(=O)=O)c(Br)c1 807962053 PRKUJAJXEGQGJC-UHFFFAOYSA-N 320.172 -0.087 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)Cc2cscn2)CC1 826550037 PGZSOYVMQYTHOM-UHFFFAOYSA-N 320.418 -0.031 30 20 DBED CC(C)(C)C#CC(=O)N1CCN(C(=O)Cn2cnnn2)CC1 837388038 KKYITNDFQAJOCG-UHFFFAOYSA-N 304.354 -0.607 30 20 DBED C=CCN1CCN(CN2CCC[C@H](S(=O)(=O)NC)C2)C1=O 839995640 GYCIFRZITDERAQ-LBPRGKRZSA-N 316.427 -0.119 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCOC[C@@H]1CC(=O)O 844790686 ATSHROIZTCNBID-MNOVXSKESA-N 319.383 -0.112 30 20 DBED C=C(C)CONC(=O)NCCNS(=O)(=O)Cc1ccon1 845601506 AHLZIBZHMULGJF-UHFFFAOYSA-N 318.355 -0.099 30 20 DBED COCCCNC(=O)[C@H](C#N)C(=O)Cc1nnn(C(C)(C)C)n1 850753071 XDYXEFPOTSJUSO-SNVBAGLBSA-N 322.369 -0.168 30 20 DBED CNC(=O)CNC(=S)NN=Cc1cnc(CCOC)s1 872350846 WOSXUMUGNGAZQK-UHFFFAOYSA-N 315.424 -0.124 30 20 DBED CN(C)c1ncc(C=NN2C(=O)[C@@H]3[C@H]4C=C[C@@H](O4)[C@@H]3C2=O)cn1 872425060 KZUQIYFODLYCSZ-KKOKHZNYSA-N 313.317 -0.185 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)NCC[S@@](=O)CC 875196646 AIIFRSCBNILJIL-YBTHPKLGSA-N 302.396 -0.584 30 20 DBED CN(C)CC[C@@H](N)C(=O)N1CCN(c2ccc(C#N)nc2)CC1 877296273 ABBZQYDTVISPJX-OAHLLOKOSA-N 316.409 -0.119 30 20 DBED C#CCNC(=O)c1ccccc1NC(=O)[C@@H]1OCCN(C)C1=O 900402235 KLXYFAUBGJHIDO-ZDUSSCGKSA-N 315.329 -0.155 30 20 DBED COC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1cccc(C#CCO)c1 913776559 RTWANDJGGIOGHW-ZIAGYGMSSA-N 303.314 -0.221 30 20 DBED C[C@@H]1CN(C)C[C@H](C(=O)N[C@H]2CCN(C(=O)C#CC3CC3)C2)O1 938182069 CGFLNBAWEJZVMO-VHDGCEQUSA-N 319.405 -0.164 30 20 DBED CC#CCN1CCC[C@@H](N(C)C(=O)CN2CC(=O)NC2=O)CC1 948865728 VFEXWWFLVLSDIT-CYBMUJFWSA-N 320.393 -0.126 30 20 DBED CN(C(=O)c1ccc(C#N)[nH]1)C1CN(C(=O)[C@H]2CCC(=O)N2)C1 954079832 JIINFPMLOLSHOM-GFCCVEGCSA-N 315.333 -0.552 30 20 DBED N#CCN1C[C@@H](O)[C@H](CNC(=O)c2nnc3ccccc3n2)C1 958264540 XEAUDWQSVKKLGJ-ZWNOBZJWSA-N 312.333 -0.429 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2cn(CCC(C)C)nn2)C1 958403280 CGWYLRPRMFDYFO-HIFRSBDPSA-N 319.409 -0.020 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](CNC(=O)c2cncc(C(N)=O)c2)C1 958699468 XYMTVJHBRMOMQB-ZIAGYGMSSA-N 318.377 -0.221 30 20 DBED O=C(c1cc[nH]n1)N1C[C@H]2[C@@H](C1)OCCN2C(=O)C#CC1CC1 960360961 JLIKROZXGTUZLP-UONOGXRCSA-N 314.345 -0.125 30 20 DBED CN(C(=O)Cn1c(O)nnc1O)C1CCC(NCC#N)CC1 964275292 AOKRRJWXBKMGOK-UHFFFAOYSA-N 308.342 -0.428 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(C[C@@H](NC(=O)c3cnon3)CO2)C1 965794078 XLXQDFVBLTYCCC-DTWKUNHWSA-N 305.294 -0.671 30 20 DBED C=C[C@@](C)(CC)C(=O)N1CC(N2CCN(C(=O)C(N)=O)CC2)C1 967251292 DBYJLFBCTBZXFO-INIZCTEOSA-N 322.409 -0.571 30 20 DBED CCN(C(=O)[C@@H]1CCCNC1=O)C1CN(C(=O)C#CC2CC2)C1 968047490 AQQRKYUEDXDSJK-CQSZACIVSA-N 317.389 -0.015 30 20 DBED C[C@H](N[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1)c1nnnn1C 968441516 APQHIMZZZATCEA-GXSJLCMTSA-N 314.353 -0.025 30 20 DBED C#CCCN1CC[C@@H](C)[C@H](NC(=O)Cn2c(O)nnc2O)C1 968592675 OLOLPCPMEWUUCX-GHMZBOCLSA-N 307.354 -0.461 30 20 DBED N#CCN1CCCCC[C@H]1CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 969028061 PGMUGYDTGNHPPQ-RWMBFGLXSA-N 308.382 -0.096 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CC(=O)N(C)C1 969188675 MBWGWBFMARRMRG-ZDEQEGDKSA-N 318.377 -0.174 30 20 DBED CC#CCN1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCNC3=O)C2)C1 972420355 SUYQGGQHXDBQSQ-PBHICJAKSA-N 319.405 -0.161 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)c3cnn(C)c3OC)C2)C1 972654539 RHRHTSXTJRGNBV-INIZCTEOSA-N 318.377 -0.021 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3COCCO3)C2)[nH]1 973898445 UGJHCSCQNACEGI-NTZNESFSSA-N 318.333 -0.321 30 20 DBED CC1(C)CN(CC#N)C[C@H]1NC(=O)CN1CCCS1(=O)=O 974650094 ASZSMKKJCNJOAF-LLVKDONJSA-N 314.411 -0.628 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)CN3CCOCC3)C[C@H]21 974973128 CSOIVPVXSXRCLK-BFHYXJOUSA-N 320.393 -0.462 30 20 DBED COc1c[nH]c(C(=O)NC[C@H]2[C@@H]3CN(CC#N)C[C@H]23)cc1=O 978468835 LFNSXASCWJAAQX-RTCCRHLQSA-N 302.334 -0.185 30 20 DBED C[C@@H]1[C@@H](NCC#N)CCN1C(=O)CN1C(=O)NC(=O)C1(C)C 987314347 CKQPKHFVCSYDQH-ZJUUUORDSA-N 307.354 -0.581 30 20 DBED C#CCCN1CCC[C@H](NC(=O)c2nnc(O)nc2O)[C@H]1C 993554933 WCFSHFIELALEHO-ZJUUUORDSA-N 305.338 -0.111 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)COC)C[C@H]1C 994192960 IIVWPXQVFSIEPR-KFWWJZLASA-N 321.421 -0.059 30 20 DBED Cc1nc(C(=O)NC2CN(C(=O)[C@H](C)C#N)C2)c(=O)[nH]c1C 994503245 VPJNLZBYWZCHDY-SSDOTTSWSA-N 303.322 -0.513 30 20 DBED Cn1cc(C(=O)N2C[C@H](NCC#N)C(C)(C)C2)c(=O)n(C)c1=O 996373272 KICPGMJQJSOBNR-NSHDSACASA-N 319.365 -0.952 30 20 DBED C=C[C@@](C)(CC)C(=O)N1CC(NC(=O)[C@@H]2CN(C)C(=O)N2)C1 997448152 NQPWSYOKLLOGRP-NHYWBVRUSA-N 308.382 -0.061 30 20 DBED Cn1nnc(C(=O)N2CC[C@H](C(F)(F)F)[C@H](NCC#N)C2)n1 998278514 UKTUWAFRYKYUBB-JGVFFNPUSA-N 317.275 -0.284 30 20 DBED O=C(C#CC1CC1)N1CCC[C@H](NCCN2C(=O)CNC2=O)C1 999136411 KYCUMSACMMXZOC-ZDUSSCGKSA-N 318.377 -0.468 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)c2nonc2C)C1 1000017642 SIJANOHXAPORKT-MNOVXSKESA-N 306.322 -0.090 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H]2C[C@@H]3CN(C(=O)C(N)=O)C[C@]2(C1)O3 1001652033 NORGXCLSEMBNML-LYOVBCGYSA-N 321.377 -0.488 30 20 DBED C#CCCN1CCC(N(C)C(=O)CN2CCOCC2=O)CC1 1005508286 PCBVCGGVOHMNJJ-UHFFFAOYSA-N 307.394 -0.209 30 20 DBED Cn1nnnc1CN1CCC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 1007055059 GDRHPNFPDOBCCF-LLVKDONJSA-N 314.353 -0.196 30 20 DBED C#CCN1CCC(C(=O)N[C@H]2CCCN([C@@H](C)C(N)=O)C2)CC1 1009625605 FRIDTNMUACQTEY-ZFWWWQNUSA-N 320.437 -0.214 30 20 DBED N#Cc1c[nH]c(C(=O)NC2[C@H]3CN(C(=O)Cn4ccnc4)C[C@H]23)c1 1012922467 ISXWSCWCKBXVAP-RYUDHWBXSA-N 324.344 -0.030 30 20 DBED C=CCn1cc(C(=O)NC2[C@H]3CN(C(=O)COC)C[C@H]23)nn1 1013117907 RGUVOGFHYQUAEZ-UWVGGRQHSA-N 305.338 -0.703 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2C(NC(=O)c3cc4n(n3)CCO4)[C@@H]2C1 1013281453 UQHQLZDVAYALGK-OPRDCNLKSA-N 315.333 -0.378 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]12CCC[C@@H]1N(C(=O)C(N)=O)CC2 1014483576 CWWPGXWCAFBBTA-KZTGVZKYSA-N 321.377 -0.297 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CCN(Cc3nc(O)n[nH]3)C2)cn1 1016030489 JFHFLMUPUBOKBY-GFCCVEGCSA-N 312.333 -0.109 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2CCN(CCS(C)(=O)=O)C2)cn1 1016032336 XZRQDIXIFOAAFY-AWEZNQCLSA-N 321.402 -0.088 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](NCc2nnnn2C)C1 1020605004 YYUYSMGMONTWAB-KKOKHZNYSA-N 306.370 -0.462 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CN(C(=O)C3(C)CC3)C[C@H]2O)nn1 1023771317 QVNJSBXZRJPDCM-ZYHUDNBSSA-N 319.365 -0.434 30 20 DBED N#CCN[C@@H]1CC[C@H]2CN(C(=O)C3CC(=O)NC(=O)C3)C[C@H]21 1026375691 XGLMJYRHZJRPSS-MVWJERBFSA-N 304.350 -0.611 30 20 DBED C=C(C)CN1CC[C@@H](CNC(=O)c2cn(CC(N)=O)nn2)C1 1029000419 CUQSNTRNXYMANX-NSHDSACASA-N 306.370 -0.609 30 20 DBED C=C(C)CCN1CCO[C@H](CNC(=O)[C@H]2CN(C)C(=O)N2)C1 1035475524 LOKWAQVYHJMGHQ-CHWSQXEVSA-N 310.398 -0.207 30 20 DBED CC1(C)C(=O)NC(=O)N1CC(=O)N[C@@H]1[C@H]2C[C@H]1N(CC#N)C2 1037653794 PNWZUMVJHHZADQ-IQJOONFLSA-N 305.338 -0.971 30 20 DBED CC#CCN1CC[C@H]1CNC(=O)c1ccc(=O)n(CCOC)n1 1038485410 OORWWXNIKLSJNJ-ZDUSSCGKSA-N 318.377 -0.283 30 20 DBED C#CCCCC(=O)NC[C@@]1(O)CCN(C(=O)[C@H](C)CC(N)=O)C1 1039580702 YPQBSARKIOZOLF-WBMJQRKESA-N 323.393 -0.619 30 20 DBED C=CCCOCC(=O)NC[C@]1(O)CCN(C(=O)COC)C1 1040156760 NFXKEXMNRGTEKT-CQSZACIVSA-N 300.355 -0.695 30 20 DBED Cc1nnc(CC(=O)N2CC[C@](O)(CNC(=O)[C@@H](C)C#N)C2)o1 1040759609 BQVABRLPVBIPIV-XPTSAGLGSA-N 321.337 -0.840 30 20 DBED N#Cc1cccnc1N1C[C@@H](O)[C@H](NC(=O)Cn2cccn2)C1 1040925309 MPJCVWCFSJRSPY-CHWSQXEVSA-N 312.333 -0.484 30 20 DBED Cc1cc(C(=O)N[C@@H]2CN(c3ncccc3C#N)C[C@H]2O)n[nH]1 1040949862 YCDKKEOSZDDJGR-CHWSQXEVSA-N 312.333 -0.036 30 20 DBED N#Cc1nccc(N2C[C@@H](O)[C@H](NC(=O)C3=CCOCC3)C2)n1 1040998579 YRNSMUMWQUFVSY-VXGBXAGGSA-N 315.333 -0.639 30 20 DBED CC(C)(C)C#CC(=O)N1CC(O)(CNC(=O)Cn2cccn2)C1 1041465335 DELVKSXVHXIUAY-UHFFFAOYSA-N 318.377 -0.378 30 20 DBED C#CCN1CC[C@@]2(CCN(C(=O)c3cn(C)c(=O)n3C)C2)C1 1041848959 PYSSZALWWHARCX-MRXNPFEDSA-N 302.378 -0.105 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)C2CCN(C)CC2)C1 1041960024 FRUZCAXIBDIUJB-UHFFFAOYSA-N 309.410 -0.016 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)[C@H]2C[C@H]2C(=O)OC)C1 1041985662 WJQGQJQWMYZNMU-NWDGAFQWSA-N 322.361 -0.712 30 20 DBED C=CCN1CC[C@@H]2CCN(C(=O)Cn3c(O)nnc3O)C[C@H]21 1042327390 WTYYSTSMRCHJIH-GHMZBOCLSA-N 307.354 -0.202 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)C[C@@H]2CCCC(=O)N2)C1 1044159108 RBERNCKYXKICJH-LBPRGKRZSA-N 323.393 -0.299 30 20 DBED Cc1cnn(C)c1C(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1044953999 XZFJPGQIHMCGPV-UHFFFAOYSA-N 316.361 -0.555 30 20 DBED CCn1nc(C)c(C(=O)N2CC(O)(CNC(=O)[C@H](C)C#N)C2)n1 1045564793 NEWAMXFDCCWWQB-SECBINFHSA-N 320.353 -0.931 30 20 DBED C#CCN1CC[C@H](N2CCN(C(=O)Cc3cnn(C)c3)CC2)C1 1046012004 KKBJSOXLHNMLLL-INIZCTEOSA-N 315.421 -0.186 30 20 DBED C=CCCn1cc(C(=O)N[C@@]2(C)CCN(CC(=O)NC)C2)nn1 1046689802 OUCVRELWZZAHBS-HNNXBMFYSA-N 320.397 -0.206 30 20 DBED CC#CCN1C[C@H]2C[C@@H](NC(=O)c3nnc(O)nc3O)C[C@H]1C2 1047104306 SBTGBCZIYPASAM-HBNTYKKESA-N 317.349 -0.111 30 20 DBED C#CCOc1ncccc1C(=O)N(C)[C@H]1CN(CC#C)C[C@@H]1O 1047601869 OSFSVCFQTJWWSU-GJZGRUSLSA-N 313.357 -0.156 30 20 DBED C=CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CN(CC)CCO2)C1 1047633914 RKKRELMZMKWECU-SOUVJXGZSA-N 311.426 -0.213 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cnccn2)C1 1048090726 MDFQKXFEYXXXQI-KBPBESRZSA-N 316.361 -0.220 30 20 DBED C=C(C)CN1C[C@H]2CN(C(=O)c3nnc(O)nc3O)C[C@H]2C1 1048919536 YESALBALZFARQU-AOOOYVTPSA-N 305.338 -0.137 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)Cn1ncn(C)c1=O)C2 1050571037 KSEADHWTUOROIB-UHFFFAOYSA-N 303.366 -0.861 30 20 DBED C[C@@H]1[C@@H](NC(=O)[C@H]2CNC(=O)N2)CCN1c1cncc(C#N)n1 1050952225 NPFDMNUVMFMETI-DVVUODLYSA-N 315.337 -0.887 30 20 DBED C=CCN1CCOC[C@@H]1CNC(=O)[C@@H]1CCCCS1(=O)=O 1050953719 KSUMRXPYCKCBHW-STQMWFEESA-N 316.423 -0.043 30 20 DBED N#Cc1cnc(N2CC[C@H](NC(=O)c3cnco3)[C@H](O)C2)cn1 1051755960 VYPKHXMSLVQFGT-WDEREUQCSA-N 314.305 -0.294 30 20 DBED C[C@H]1CC(=O)N[C@@H](C(=O)N2CCOC3(CN(CC#N)C3)C2)C1 1053259784 MBLUEFGZNNZQPG-VXGBXAGGSA-N 306.366 -0.662 30 20 DBED C#CCN1CC2(C1)CN(C(=O)c1conc1COC)CCO2 1053505739 CONIMIUYNQAGEZ-UHFFFAOYSA-N 305.334 -0.019 30 20 DBED C#CCCN1CC2(CC[C@@H](CNC(=O)[C@H]3CN(C)CCO3)O2)C1 1053585911 KQEZYQXDVAJCAW-LSDHHAIUSA-N 321.421 -0.310 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)c3cccc4ncnn34)CO2)C1 1053859173 CFLAYZZDLXUJMS-LLVKDONJSA-N 312.333 -0.174 30 20 DBED CC(=O)N1CC[C@@H](C(=O)N[C@H]2COC3(C2)CN(CC#N)C3)C1 1053995175 ULGQXKVOLYENGQ-CHWSQXEVSA-N 306.366 -0.662 30 20 DBED C[C@@]1(C(=O)N2CC[C@@H](N=c3cc[nH]c(C#N)n3)C2)CCNC1=O 1056777257 PJWHUOKKAJSLQG-MEBBXXQBSA-N 314.349 -0.691 30 20 DBED C#CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)[C@H]1CCCO1 1056895819 IEHMIUJGHYTVGY-QWHCGFSZSA-N 312.366 -0.859 30 20 DBED O=C(C#CC1CC1)NCCN(CCO)C(=O)Cn1cccn1 1056965195 HQNRQKKQACMOGE-UHFFFAOYSA-N 304.350 -0.766 30 20 DBED C#Cc1ccc(C(=O)NCCN(CCO)C(=O)[C@@H](C)OC)nc1 1057109042 JCYDECQERRNWTR-GFCCVEGCSA-N 319.361 -0.352 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCN(CCO)C(=O)[C@H](C)OC 1057112391 JYOVGQODBVESFW-SMDDNHRTSA-N 302.371 -0.715 30 20 DBED C#CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)[C@@H](CC)OC 1057156605 GCYKFIUCPUQBAB-QWHCGFSZSA-N 314.382 -0.613 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)c1ccnc(O)c1 1057330194 BJJVVSFMXGHDEL-UHFFFAOYSA-N 319.361 -0.003 30 20 DBED CNC(=O)CC(=O)N(CCO)CCNC(=O)C#CC(C)(C)C 1057413469 XPUQHFKVYDDYRA-UHFFFAOYSA-N 311.382 -0.891 30 20 DBED O=C(Cc1ccon1)NCCN(CCO)C(=O)C#CC1CC1 1057531722 WSMHLKDDPCMNCS-UHFFFAOYSA-N 305.334 -0.432 30 20 DBED N#Cc1cnc(N2CCC[C@@H](NC(=O)Cn3ncnn3)C2)cn1 1058196676 BAOILVFSVOVEGR-SNVBAGLBSA-N 313.325 -0.880 30 20 DBED N#Cc1ccc(N2CCC[C@H](NC(=O)[C@H]3CNC(=O)N3)C2)cn1 1058231395 GNOQJYOBDWTKED-WCQYABFASA-N 314.349 -0.280 30 20 DBED Cc1cc(C#N)nc(N2CC[C@H](NC(=O)Cn3cncn3)C2)n1 1058362966 OPZIQYQZOGGEQR-NSHDSACASA-N 312.337 -0.357 30 20 DBED Cc1cnoc1C(=O)N(CCO)CCNC(=O)C#CC1CC1 1058695841 REXSMLKCZXUJSH-UHFFFAOYSA-N 305.334 -0.053 30 20 DBED Cn1cnc(C(=O)N2[C@H]3CC[C@H]2CN(c2nccnc2C#N)C3)n1 1058753499 WQYZNUVQKHTQEU-QWRGUYRKSA-N 324.348 -0.030 30 20 DBED CN1CCO[C@H](C(=O)N2CC[C@H](Nc3cncc(C#N)n3)C2)C1 1058857625 USJRUHKOIBOOPV-AAEUAGOBSA-N 316.365 -0.308 30 20 DBED N#Cc1ccc(N[C@H]2CCN(C(=O)[C@@H]3CCC(=O)NC3)C2)nn1 1059114527 YXEVMAYCLFPEQT-PWSUYJOCSA-N 314.349 -0.113 30 20 DBED N#Cc1cncc(N[C@H]2C[C@H](NC(=O)[C@H]3COC(=O)N3)C2)n1 1059212099 RIUJZLJIHAIUDX-NQMVMOMDSA-N 302.294 -0.484 30 20 DBED Cn1ccc(=O)c(C(=O)N[C@H]2C[C@H](N=c3cc[nH]c(C#N)n3)C2)c1 1059470372 QPBQPCNYMCJXQH-XYPYZODXSA-N 324.344 -0.158 30 20 DBED N#Cc1nccc(N2CCC[C@H]2CNC(=O)[C@@H]2COCCO2)n1 1061297278 CTRYHBNMFAUTKH-RYUDHWBXSA-N 317.349 -0.151 30 20 DBED C=CC(C)(C)C(=O)NC[C@@H]1COCCN1C(=O)[C@H]1C[C@H]1C(N)=O 1061755210 DAXZBNUDOCOURZ-UTUOFQBUSA-N 323.393 -0.336 30 20 DBED C[C@H](N=c1cc[nH]c(C#N)n1)C1CCN(C(=O)C(N)=O)CC1 1061874443 BROFWDOCGYVGEZ-VIFPVBQESA-N 302.338 -0.706 30 20 DBED N#Cc1nccnc1N1CC[C@H]2CC[C@@H](C1)N2C(=O)C(N)=O 1064486073 VRAXMFZWCONWFU-ZJUUUORDSA-N 300.322 -0.597 30 20 DBED CN1CCC[C@@H]1C(=O)N1CCO[C@H](CNC(=O)C#CC2CC2)C1 1064977232 CYQYEEOZXNKAPM-HUUCEWRRSA-N 319.405 -0.162 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CCO1 1065259696 CXIQLTZFGRBMNB-QWHCGFSZSA-N 322.409 -0.026 30 20 DBED C=CC(C)(C)C(=O)NC[C@H]1CN(C(=O)[C@H]2CCNC2=O)CCO1 1065423137 XBBAQLWHMRDCIX-RYUDHWBXSA-N 323.393 -0.322 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2ccncn2)CCO1 1065505533 RXGJSFGPDCPLGQ-GFCCVEGCSA-N 320.349 -0.364 30 20 DBED N#Cc1nccc(N2CCOC[C@@H]2CNC(=O)[C@H]2CCOC2)n1 1066469798 HOIIGZDVTQKDMU-RYUDHWBXSA-N 317.349 -0.294 30 20 DBED C[C@H]1C[C@H](N=c2cc[nH]cc2C#N)CN1C(=O)CS(C)(=O)=O 1069039345 BPZKGGSUTVHAFF-JQWIXIFHSA-N 322.390 -0.179 30 20 DBED C=CCN1CCn2ncc(CNC(=O)C3CS(=O)(=O)C3)c2C1 1069862007 VLBSQIGCDDDVMJ-UHFFFAOYSA-N 324.406 -0.455 30 20 DBED Cn1ncc(C(=O)NCc2cnn3c2CN(CC#N)CC3)n1 1069877700 JZWPEWLPWGFDEY-UHFFFAOYSA-N 300.326 -0.719 30 20 DBED Cc1[nH]nc(C(=O)N2C[C@H](n3ccnn3)[C@H](NCC#N)C2)c1O 1070176457 AQJHLOIWGXGWKP-ZJUUUORDSA-N 316.325 -0.806 30 20 DBED C#CCCCC(=O)N1CCC[C@@H](NC(=O)[C@H](C)NC(N)=O)C1 1070669806 MKHYKNRSDHTHHA-NWDGAFQWSA-N 308.382 -0.046 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC[C@@H](NC(=O)[C@H]2CCC(=O)N2)C1 1070727107 PUUJVYUXGCFTFU-YNEHKIRRSA-N 321.377 -0.590 30 20 DBED N#CCSCC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CCC(=O)N2)C1 1071044790 JVSXRUNKDFBCCL-MNOVXSKESA-N 324.406 -0.371 30 20 DBED C[C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 1071574397 LUUVLPCWJUJZRE-LDYMZIIASA-N 318.337 -0.869 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@@H]1C 1072017684 JTFCMWBTHQFJIZ-NWDGAFQWSA-N 319.365 -0.568 30 20 DBED C#CCCN1CCC2(C1)CN(C(=O)CC[C@H]1NC(=O)NC1=O)C2 1073412307 LEVXHCVHSKLLNB-GFCCVEGCSA-N 318.377 -0.468 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](NC(=O)CCOC)[C@@H](C)C1 1073622414 QDOYWMXUSMGFJI-STQMWFEESA-N 323.393 -0.484 30 20 DBED COc1nn(C)cc1C(=O)N1CC[C@@H]2OCCN(CC#N)[C@H]2C1 1074314459 GKCHJRWVUBPNTD-STQMWFEESA-N 319.365 -0.132 30 20 DBED C[C@@H](CCNC(=O)c1cc(C#N)c[nH]1)NC(=O)[C@H](C)NC(N)=O 1076070866 CIDWTTPBIKZKHS-IUCAKERBSA-N 320.353 -0.432 30 20 DBED C#CCN1C[C@@H]2CCN(C(=O)Cc3c(C)nc(O)nc3O)[C@@H]2C1 1076393740 UNECLEQXWCIXGV-WCQYABFASA-N 316.361 -0.095 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(Cc2nncs2)C[C@H]1O 1077699051 NOZVHDDFEYMVRI-KKOKHZNYSA-N 324.406 -0.210 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H](C)CCNC(=O)C1(C(N)=O)CC1 1078111874 SCSSIRFXZMYIIE-IINYFYTJSA-N 311.382 -0.410 30 20 DBED C[C@@H](CCNC(=O)[C@@H](C)C#N)NC(=O)CN1C(=O)CN(C)C1=O 1078137720 HXQBRPWUFKNFBI-UWVGGRQHSA-N 323.353 -0.949 30 20 DBED CC(C)C#CC(=O)N[C@@H](C)CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 1078456270 NQWCZBAOVLCDAI-RWMBFGLXSA-N 323.393 -0.310 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)CC(=O)NC)C1 1079657301 CERMHYANSUUMCL-NSHDSACASA-N 311.382 -0.227 30 20 DBED CCN(C(=O)C#CC1CC1)C1CN(C(=O)[C@@H]2CC[C@@H]2C(N)=O)C1 1079743068 WYHZQKVCMZJMJQ-UONOGXRCSA-N 317.389 -0.029 30 20 DBED CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)C(=O)NCC2CC2)C1 1080414783 SQYFEGIJOBSIDO-JTQLQIEISA-N 306.366 -0.268 30 20 DBED COc1c(O)nc(O)nc1C(=O)N[C@@H]1CN(CC#N)C[C@H]1C 1080773059 KUDNJJXNIPVQJX-HTQZYQBOSA-N 307.310 -0.530 30 20 DBED CC(C)C#CC(=O)N1C[C@H](CNC(=O)C2=CCOCC2)[C@@H](O)C1 1081428658 TYVDEIHVQZGAJJ-GJZGRUSLSA-N 320.389 -0.072 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)CSCC#N)C[C@@H]1O 1081441231 GCHAVMXJUMIYJI-OLZOCXBDSA-N 323.418 -0.018 30 20 DBED C=CCCOCC(=O)N1C[C@H](CNC(=O)c2ncc[nH]2)[C@@H](O)C1 1081455662 PWCBPTTYCJIMMH-RYUDHWBXSA-N 322.365 -0.449 30 20 DBED C=CC(C)(C)C(=O)NC[C@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1O 1081642057 BIADSHMCANZCFN-WDEREUQCSA-N 323.393 -0.600 30 20 DBED CC#CCN1C[C@@H](NC(=O)[C@@H]2CCCCN2C(N)=O)[C@H](OC)C1 1082320118 XDOMOHSNSMFTCO-HZSPNIEDSA-N 322.409 -0.242 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2ncnc3ccsc23)C1 1083511472 UMSDONFDQSOBDQ-ZJUUUORDSA-N 303.347 -0.010 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)Cn2cc(C3CC3)cn2)C1 1083584861 RCPQYCHTFPVIMN-CABCVRRESA-N 302.378 -0.055 30 20 DBED C[C@H](C[C@@H](C)NC(=O)CC(=O)N(C)C)N=c1cc[nH]c(C#N)n1 1089487772 PREKXVWTWAWBBZ-GHMZBOCLSA-N 318.381 -0.056 30 20 DBED CCN(c1cnc(C#N)cn1)[C@H](C)CNC(=O)Cn1nccn1 1089696847 GHVQOKYBGMMJTA-LLVKDONJSA-N 314.353 -0.029 30 20 DBED C=CCN1CC[C@H](NC(=O)Cc2nnn(C(C)(C)C)n2)[C@H](O)C1 1090291794 JPYMTUMBXWQSGQ-NWDGAFQWSA-N 322.413 -0.292 30 20 DBED N#CCN1CC[C@H](NC(=O)c2cnc3nccnc3c2)[C@H](O)C1 1090332035 QGRANZMNXUTPMH-WCQYABFASA-N 312.333 -0.287 30 20 DBED C=CCN1CC[C@@H](NC(=O)c2ccnc3c2CC(=O)N3)[C@H](O)C1 1090393435 KYLKGLVCNDZVSR-CHWSQXEVSA-N 316.361 -0.073 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2c(C)ncnc2O)[C@H](O)C1 1090515472 TVYLYJWCIOZJOR-VXGBXAGGSA-N 304.350 -0.321 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CCN(Cc3nc(O)n[nH]3)C[C@@H]2O)C1 1090553371 AEUYRHJCBWDWGX-MNOVXSKESA-N 321.381 -0.082 30 20 DBED C=C1CC(C)(C(=O)N[C@H]2CCN(Cc3nc(O)n[nH]3)C[C@@H]2O)C1 1090553372 AEUYRHJCBWDWGX-QWRGUYRKSA-N 321.381 -0.082 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2cnn3cc[nH]c23)[C@@H](O)C1 1090763939 NXFJPZYIXFHUOE-STQMWFEESA-N 301.350 -0.149 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cccc(C(=O)NC)c2)[C@@H](O)C1 1090822936 GBVLUXVZYRAVAB-GJZGRUSLSA-N 315.373 -0.156 30 20 DBED C=CCCN1CC[C@@H](NC(=O)c2cccc(C(N)=O)n2)[C@H](O)C1 1090839322 KKYIULUWUFENKC-BXUZGUMPSA-N 318.377 -0.078 30 20 DBED N#Cc1c[nH]c(C(=O)NCC2CC(N[C@H]3CCNC3=O)C2)c1 1090970162 MXMHOKQVACQVQO-NHNAUAITSA-N 301.350 -0.127 30 20 DBED CCO[C@@H](CC)C(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1091078453 SAJQUNWMBPLVSL-AGIUHOORSA-N 319.365 -0.171 30 20 DBED C=CCNC1CCC2(CC1)CN(C(=O)Cn1cnnn1)CCO2 1093390685 VLPXESBLGJTKBK-UHFFFAOYSA-N 320.397 -0.011 30 20 DBED N#Cc1nc(=NCCNC(=O)C[C@H]2CCCS2(=O)=O)cc[nH]1 1094011942 WAOPNXZMTZXRSX-SNVBAGLBSA-N 323.378 -0.734 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCc1cn(C2CN(CC#N)C2)nn1 1094320844 QYCICTXCSZSHCF-KGLIPLIRSA-N 316.365 -0.134 30 20 DBED N#Cc1nc(=NCCCNC(=O)c2cnn3cc[nH]c23)cc[nH]1 1094521848 TXTHZQHOIWIBHW-UHFFFAOYSA-N 310.321 -0.022 30 20 DBED N#Cc1nc(=NCCCNC(=O)[C@H]2CCCCC(=O)N2)cc[nH]1 1094780200 OVCUQOJJTALERS-LLVKDONJSA-N 316.365 -0.253 30 20 DBED N#Cc1cncc(N[C@@H]2CCN(C(=O)C(=O)NCC(F)F)C2)n1 1095068686 MMSNPVFAJCLAPG-MRVPVSSYSA-N 324.291 -0.258 30 20 DBED CC(=O)N[C@@H](C)C(=O)N1CCCN(c2cnc(C#N)cn2)CC1 1095160895 AUKWBVVBRRKHSZ-NSHDSACASA-N 316.365 -0.088 30 20 DBED CNC(=O)NCCC(=O)N[C@H]1CCN(c2cncc(C#N)n2)C1 1096369215 VEFUEDSQGIIEDV-JTQLQIEISA-N 317.353 -0.638 30 20 DBED CC(=O)NC(C)(C)C(=O)N[C@H]1CCN(c2cnc(C#N)cn2)C1 1096399887 GBWBSOPDFNVSIS-NSHDSACASA-N 316.365 -0.042 30 20 DBED COCCOCC(=O)N[C@H]1C[C@H](N=c2cc[nH]c(C#N)n2)C1 1097004113 KXECEUANKCAQDM-XYPYZODXSA-N 305.338 -0.508 30 20 DBED Cc1cc(C#N)nc(N[C@@H](C)CNC(=O)CN2CCOCC2)n1 1097783776 PIVNATPPTIWNAE-LBPRGKRZSA-N 318.381 -0.095 30 20 DBED C[C@@H](CNC(=O)CC1CS(=O)(=O)C1)Nc1ccc(C#N)nn1 1098123843 LDWAPXIBFJGGQU-VIFPVBQESA-N 323.378 -0.300 30 20 DBED C=CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1CC(=O)N(C)C1=O 1098208225 LDPGGBOSRDZTMG-UTUOFQBUSA-N 306.366 -0.212 30 20 DBED C#CCCN(CCO)C1CCN(C(=O)[C@@H]2CCNC2=O)CC1 1098448597 IIDOIGKRONNRBJ-CQSZACIVSA-N 307.394 -0.569 30 20 DBED C#CCNC(=O)CN1CC(C)(C)CC[C@H]1CNC(=O)COC 1098833394 PNILBAWNWYDHON-ZDUSSCGKSA-N 309.410 -0.011 30 20 DBED N#Cc1ccc(CN2CC[C@H](NC(=O)CC(N)=O)[C@H](O)C2)cc1 1099758879 ZDOUYUDLXGNOBX-UONOGXRCSA-N 316.361 -0.515 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CCN(CCOCCO)C[C@H]2O)[nH]1 1099774788 DQGJOXXECNCICD-TZMCWYRMSA-N 322.365 -0.940 30 20 DBED CCn1nncc1CN1CC[C@@H](NC(=O)C#CC2CC2)[C@@H](O)C1 1099825812 ARFXOIPBFLRYHI-CABCVRRESA-N 317.393 -0.237 30 20 DBED CC(C)(C)C(=O)NCCC(=O)N[C@H]1CCN(CC#N)C[C@@H]1O 1099942393 RBRMSEHVAOWZRX-RYUDHWBXSA-N 310.398 -0.386 30 20 DBED C=CCN1CC[C@@H](NC(=O)CCCN2C(=O)CNC2=O)[C@H](O)C1 1100104001 VIIAROTTWQGEHI-VXGBXAGGSA-N 324.381 -0.944 30 20 DBED CN(CCNC(=O)[C@H]1CC[C@@H]1C(N)=O)c1cncc(C#N)n1 1100269330 VIJUAPXGMFBPAO-QWRGUYRKSA-N 302.338 -0.588 30 20 DBED CCN(CCNC(=O)[C@@H]1COCCO1)c1cncc(C#N)n1 1100479509 BLMNVHBUNJVZIP-LBPRGKRZSA-N 305.338 -0.294 30 20 DBED CCN(CCNC(=O)[C@@H](C)CC(N)=O)c1ccc(C#N)nn1 1100676467 JVMXKXRKAPIZPC-JTQLQIEISA-N 304.354 -0.198 30 20 DBED CS(=O)(=O)CC(=O)NC[C@@H]1CCCN1c1ccnc(C#N)n1 1100801504 RJGHTIKULQJYHZ-JTQLQIEISA-N 323.378 -0.522 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1CNC(=O)c1cc[nH]c1 1101991538 ZNTOTDMSZJGOOU-DGCLKSJQSA-N 303.366 -0.048 30 20 DBED C=C(C)CN1C[C@@H](C)[C@H](CNC(=O)Cn2c(O)nnc2O)C1 1102530267 KPKHIEPIOWBHIM-GHMZBOCLSA-N 309.370 -0.051 30 20 DBED N#Cc1ccc(N2C[C@@H]3C[C@H]2CN3C(=O)CCNC(N)=O)cn1 1102551348 HMGBBTCBLFUJTL-STQMWFEESA-N 314.349 -0.199 30 20 DBED C[C@@H](CC(N)=O)C(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(C#N)n1 1102570053 NBURYEZWOJKURN-DCAQKATOSA-N 314.349 -0.351 30 20 DBED C[C@@H](CC(N)=O)C(=O)N(C)[C@@H]1CCN(c2cncc(C#N)n2)C1 1102752338 FOQTVLQXUBMPQT-CMPLNLGQSA-N 316.365 -0.103 30 20 DBED CC[C@@H](CNC(=O)[C@@H](COC)OC)N=c1cc[nH]c(C#N)n1 1103302730 SCCAOYIPKPBLOR-WDEREUQCSA-N 307.354 -0.262 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)[C@@H]1[C@H]2COC[C@H]21 1104771509 OAZXOFGXGBLZAK-KZWBYHQPSA-N 301.350 -0.079 30 20 DBED C[C@H](CNc1ncccc1C#N)N(C)C(=O)[C@H]1CNC(=O)N1 1104784080 CJWLAVCVSIFLCD-MWLCHTKSSA-N 302.338 -0.107 30 20 DBED C#CCNCc1cn(C2CN(C(=O)c3cnns3)C2)nn1 1105173978 BXDAASXTYXOEHO-UHFFFAOYSA-N 303.351 -0.451 30 20 DBED Cc1cc(C(=O)NC[C@H](O)CNc2ccc(C#N)nn2)no1 1105709612 OOKQLFDYPYFLBL-SNVBAGLBSA-N 302.294 -0.153 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)c2cnsn2)nn1 1105723316 MKCLZUXVTNGSHC-QMMMGPOBSA-N 305.323 -0.597 30 20 DBED CCO[C@@H](C)C(=O)NC[C@H](O)CN=c1cc(C)[nH]cc1C#N 1105770103 VEEWWTXQGWTMNK-WCQYABFASA-N 306.366 -0.002 30 20 DBED N#Cc1nccnc1NC[C@@H](O)CNC(=O)c1ccnc(O)c1 1105818659 OEHLZJYPHYMLCU-SNVBAGLBSA-N 314.305 -0.348 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](O)CNC(=O)Cn2ccnc2)n1 1105881816 AGMVZMLOFHKZDZ-LBPRGKRZSA-N 315.337 -0.558 30 20 DBED C=CCNC(=O)CNC[C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1C 1106073487 FMXYKCPPJRCNIZ-VXGBXAGGSA-N 320.397 -0.585 30 20 DBED C[C@@H]1CCN(CC(=O)NC[C@H](O)CNc2cnc(C#N)cn2)C1 1106104079 HGHBAADYPMKQKB-DGCLKSJQSA-N 318.381 -0.421 30 20 DBED C[C@@H](CCNc1ccc(C#N)nn1)NC(=O)C1CS(=O)(=O)C1 1106459782 YTVBDIPXARUJMS-VIFPVBQESA-N 323.378 -0.300 30 20 DBED C=CCCNC[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@H]1C 1106771892 DQPHZTAZKSBNJC-VXGBXAGGSA-N 308.382 -0.202 30 20 DBED C=CCN1CC(n2cc(CNC(=O)C(=O)NCC3CC3)nn2)C1 1107224998 JWTMJHYDOAQUNH-UHFFFAOYSA-N 318.381 -0.537 30 20 DBED C#CCNC(=O)[C@H](C)N1CCO[C@](C)(CNC(=O)C2CC2)C1 1107675200 IDDDWFHRPHNCFO-BLLLJJGKSA-N 307.394 -0.259 30 20 DBED C[C@H](CNc1ccc(C#N)nn1)NC(=O)[C@@H]1CCCN1C(N)=O 1107814009 VKEJXPQCDXANQO-KOLCDFICSA-N 317.353 -0.192 30 20 DBED C[C@H](C#N)C(=O)NC[C@@]1(C)CN(CCN2CCCC2=O)CCO1 1107821042 IBUYVGJCVHWSBD-CJNGLKHVSA-N 322.409 -0.024 30 20 DBED CCNC(=O)CN1CCO[C@@](C)(CNC(=O)C#CC(C)C)C1 1107927170 UDTLJTWYPLMVRK-INIZCTEOSA-N 309.410 -0.011 30 20 DBED C#CCCN1CCO[C@](C)(CNC(=O)C[C@@H]2CC(=O)NC2=O)C1 1108446795 JLYBVGSDGZHULA-MLGOLLRUSA-N 321.377 -0.730 30 20 DBED C[C@H](CN(C)c1ccc(C#N)cn1)NC(=O)CS(C)(=O)=O 1108836794 HIMLPRNLEQCRPJ-SNVBAGLBSA-N 310.379 -0.061 30 20 DBED Cc1nsc(N(C)C[C@@H](C)NC(=O)Cn2ncnn2)c1C#N 1109116414 IFOOBFMWXCMRKR-MRVPVSSYSA-N 320.382 -0.049 30 20 DBED CNC(=O)CC(=O)N[C@H]1[C@H]2C[C@H]1N(c1ccc(C#N)nn1)C2 1109699325 HINZUQFPWWOSMC-HNXYLICVSA-N 300.322 -0.822 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H]1CC(=O)N(C)C1 1110616941 WMFUUCDQLRFFQA-YJNKXOJESA-N 319.405 -0.164 30 20 DBED CC(=O)N[C@@H](C)C(=O)N[C@@]1(C)CCN(c2ccc(C#N)nn2)C1 1110716825 KIXYFAHHKRROAZ-BONVTDFDSA-N 316.365 -0.042 30 20 DBED CN(C)CCC(=O)NC[C@@]1(O)CCN(c2ccc(C#N)nc2)C1 1111124893 YIWARKBFJVSZSS-INIZCTEOSA-N 317.393 -0.038 30 20 DBED Cc1nonc1C(=O)N(CCO)CCNc1cncc(C#N)n1 1111487100 XRDRHATXOXMUOU-UHFFFAOYSA-N 317.309 -0.414 30 20 DBED CNC(=O)CC(=O)N1CCO[C@H](CNc2cncc(C#N)n2)C1 1111940740 TZHYMIQFQQPSNF-LLVKDONJSA-N 318.337 -0.876 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)c2ccc(O)nn2)CC1 1112601336 OKLCFZXQWPYZTR-LLVKDONJSA-N 317.349 -0.922 30 20 DBED C#CCNC(=O)CC(=O)N1CCN(C[C@H]2C[C@@]23CCOC3)CC1 1112777536 BIQGHSIDBBJNPU-RHSMWYFYSA-N 319.405 -0.303 30 20 DBED COCC#CCN1CCN(C(=O)c2cc(C(N)=O)cn2C)CC1 1113071655 LNLYEDMTZLKCKA-UHFFFAOYSA-N 318.377 -0.468 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)CCOCC#C)[C@H]2C1 1114262849 KYNIJSQEVRFKPU-NYTXWWLZSA-N 317.389 -0.789 30 20 DBED C=CCOCCN1C[C@@H]2C(NC(=O)CN3CCCNC3=O)[C@H]2C1 1114516016 PLMYFCPMPJZOJK-STQMWFEESA-N 322.409 -0.349 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)c3[nH]nnc3C)[C@H]2C1 1114661871 ZPUXZCBAUCWFRA-DCAQKATOSA-N 318.381 -0.536 30 20 DBED C=CCOCCN1C[C@H]2[C@H](NC(=O)c3ccc(C(N)=O)[nH]3)[C@H]2C1 1114839718 FKBUJOKOURVZMO-YABSGUDNSA-N 318.377 -0.024 30 20 DBED COC(=O)NCC(=O)N(C)C[C@@H](C)Nc1nccnc1C#N 1115621248 ZJHXVJYYFMTEOX-SECBINFHSA-N 306.326 -0.037 30 20 DBED N#CCNC(=O)CNC1(CNC(=O)c2nc[nH]n2)CCCCC1 1115778522 DGSWWDAXNURJHX-UHFFFAOYSA-N 319.369 -0.533 30 20 DBED C#CCN(CC)C(=O)C(=O)Nc1cnn(CC(=O)N(C)C)c1 1116252591 HDRVATWRNQRUFA-UHFFFAOYSA-N 305.338 -0.609 30 20 DBED CC(C)COC[C@@H](O)CNC(=O)C(=O)Nc1cnn(CC#N)c1 1116331800 HJUGVQYYTVEEDJ-LBPRGKRZSA-N 323.353 -0.505 30 20 DBED N#Cc1ccc(CNC(=O)C(=O)N2CCNC(=O)C2)cc1Cl 1117733455 WFZJWJVOILJVFO-UHFFFAOYSA-N 320.736 -0.214 30 20 DBED CC1(C)C[C@H](NC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)CCO1 1118151940 RJVAOZFQKBBHGP-ABAIWWIYSA-N 309.366 -0.063 30 20 DBED C=CCn1cc(Cn2nnnc2N2CC[C@H](COC)C2)nn1 1120314066 MBPMTNYOAPDYGB-NSHDSACASA-N 304.358 -0.028 30 20 DBED C#CCCCC(=O)NC[C@@H](CO)Nc1ncnc2c1nnn2C 1121370450 GBBIAGAPHSPMNA-JTQLQIEISA-N 317.353 -0.549 30 20 DBED N#Cc1cnc(N[C@H](CO)CNC(=O)c2cnon2)c(F)c1 1121881508 GQQXTCWYHPFZOT-QMMMGPOBSA-N 306.257 -0.322 30 20 DBED Cc1cc(=N[C@H](CO)CNC(=O)CC(=O)N(C)C)c(C#N)c[nH]1 1122637832 XOTMHYQTENGHKN-LBPRGKRZSA-N 319.365 -0.949 30 20 DBED CNC(=O)CC(=O)N(C)C[C@@H](O)CNc1nc(C)cc(C#N)n1 1124257405 SNQWCONKKDORPR-NSHDSACASA-N 320.353 -0.976 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C[C@H](O)CNc1cncc(C#N)n1 1124518580 AKSJRQYSYHRBRN-WCQYABFASA-N 317.349 -0.382 30 20 DBED COC[C@H](OC)C(=O)N(C)C1CC(N=c2cc[nH]c(C#N)n2)C1 1127063069 NMZPPJDHWMUUEG-MCIGGMRASA-N 319.365 -0.167 30 20 DBED C=CCOCC(=O)NCc1cnn2c1CN(CC(=O)NC)CC2 1128259790 SZUJOYTVJXTQMP-UHFFFAOYSA-N 321.381 -0.737 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CCCc2nccn21 1129436411 PIGAUNJGJSDNKG-STQMWFEESA-N 317.393 -0.396 30 20 DBED CCCC(=O)NCC(=O)N1C[C@H](n2ccnn2)[C@H](NCC#N)C1 1129644429 AUPXGXQIGKJPMW-NEPJUHHUSA-N 319.369 -0.941 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1cn(C)nc1COC 1130449085 QRYPBHSMTLRJQM-NSHDSACASA-N 321.381 -0.976 30 20 DBED CN(C)C(=O)CC(=O)N1C[C@@H](NCC#N)[C@H](c2cncn2C)C1 1131084338 RQQYQKJKQSFVQN-VXGBXAGGSA-N 318.381 -0.694 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)C[C@@H](C)NC(N)=O)C[C@@]3(C1)O2 1131230539 LBLJTBPRRMZCOJ-BRXULGCHSA-N 320.393 -0.632 30 20 DBED COCC#CCN1C[C@@H]2OC(=O)N([C@H]3CCN(C(C)=O)C3)[C@@H]2C1 1131294369 IMBMUGSFJHPRPA-ZNMIVQPWSA-N 321.377 -0.238 30 20 DBED CC(=O)N(C)CC(=O)N1C[C@H](C)O[C@@]2(CCN(CC#N)C2)C1 1131639326 UDKYTJVBEVQWKX-SWLSCSKDSA-N 308.382 -0.320 30 20 DBED COCCOCC(=O)N1C[C@H](C)O[C@]2(CCN(CC#N)C2)C1 1131641969 KIFBCGVKZNWCEP-ZFWWWQNUSA-N 311.382 -0.135 30 20 DBED C[C@H]1CC[C@@H](NC(=O)CC(C)(C)O)CN1CC(=O)NCC#N 1132009609 NOZSDHZXTXGYRO-NWDGAFQWSA-N 310.398 -0.244 30 20 DBED C=CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)COCCOC 1133926826 NKRGVEWXXYEQDC-CHWSQXEVSA-N 315.414 -0.176 30 20 DBED C#CCN[C@H](C)C[C@H](C)NC(=O)CN(C)CC(=O)NC(C)C 1134838968 GYOLSJHYUNAMOR-KGLIPLIRSA-N 310.442 -0.051 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)Cn2cc(C3CC3)nn2)C1 1149841407 DZPLUHKPULDLKV-CQSZACIVSA-N 317.393 -0.004 30 20 DBED CS(=O)(=O)CCCC(=O)NC[C@H]1CN(CC#N)CCCO1 1150445668 XAFQEPPUIWPMLB-LBPRGKRZSA-N 317.411 -0.458 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)Cc1nnc(C)o1 1157493936 QYALWPAAQGSSNS-SNVBAGLBSA-N 309.370 -0.293 30 20 DBED C#CCNC(=O)CNCCCNC(=O)CCn1ccccc1=O 1159297082 QRWIGQKWEJGJIK-UHFFFAOYSA-N 318.377 -0.916 30 20 DBED COCC#CCNCCCNC(=O)[C@@H](Cn1cccn1)N(C)C 1159875920 CTWLJTGTPBFCPR-OAHLLOKOSA-N 321.425 -0.441 30 20 DBED C#CCNC(=O)CNCC1(CCNC(=O)[C@@H]2CCOC2)CC1 1163718804 SWAMJGVHEUCXID-CYBMUJFWSA-N 307.394 -0.352 30 20 DBED C[C@@H](CCCCNCC#N)NC(=O)CN1CCN(C)C(=O)C1 1171606796 YGTNBVYEVOLMSY-ZDUSSCGKSA-N 309.414 -0.451 30 20 DBED C#CCCN[C@H]1CCN(C(=O)CCCN2C(=O)CNC2=O)[C@H]1C 1180101046 LDBCPYFEPQBDCT-STQMWFEESA-N 320.393 -0.079 30 20 DBED Cc1cnccc1C(=O)N1CC[C@@H](NCC(=O)NCC#N)C1 1182361633 KJORUZCGHQUNDY-GFCCVEGCSA-N 301.350 -0.166 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)C[C@H]2CCN(C)C2=O)C1 1183496668 PLPFAGAVBYIJOD-ZIAGYGMSSA-N 307.394 -0.305 30 20 DBED C#CCNC[C@H]1CN(C(=O)[C@@H]2CCNC2=O)CC12CCOCC2 1186445034 KVLFPHKBZYVLIA-UONOGXRCSA-N 319.405 -0.400 30 20 DBED COCC#CCN1C[C@@H]2CCN(C(=O)CNC(=O)OC)[C@@H]2C1 1187071469 CUXLCQGKDCWQPU-QWHCGFSZSA-N 309.366 -0.475 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)Cc2cncn2C)C1 1187092199 QVSUPGCTZOJIPN-QWHCGFSZSA-N 317.393 -0.709 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)[C@@H](C)n2cncn2)C1 1189705051 GGSFSAOTYWGQSW-CHWSQXEVSA-N 320.397 -0.326 30 20 DBED N#CCNC(=O)CN1C[C@@H]2CCN(C(=O)CN3CCCC3)[C@@H]2C1 1190168334 PDSHOQCAIVQNSZ-UONOGXRCSA-N 319.409 -0.745 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(Cc2cc(C)n(C)n2)C[C@H]1O 1192530132 KPDSRFSWLPHEDK-FMKPAKJESA-N 322.409 -0.283 30 20 DBED C#CCC1(C(=O)N[C@@H]2CN(C[C@H](C)O)C[C@H]2O)CCOCC1 1193720761 ZDVPWKYSFUZPFW-BFHYXJOUSA-N 310.394 -0.651 30 20 DBED C#CCCN(C)[C@H]1CCN(C(=O)CCS(=O)(=O)N(C)C)C1 1194209787 RTGBJXDVWLUNRN-ZDUSSCGKSA-N 315.439 -0.176 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)[C@H]2C[C@H]2C(=O)OC)CC1 1195174423 NOXIYUSFIJKMIX-QWHCGFSZSA-N 323.393 -0.368 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCCN([C@H]2CCCNC2=O)CC1 1195791564 FGFUKSRKYHVLSR-KBPBESRZSA-N 307.394 -0.162 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC(C)(C)C2)C1 1196004690 PJFCJWKMTUPUDR-MGPQQGTHSA-N 321.421 -0.277 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1CN(CCCF)C[C@H]1O 1196692202 YQQDCSPWVUPIDA-MGPQQGTHSA-N 315.389 -0.022 30 20 DBED C[C@@H](CC(C)(C)C)C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1O 1196716530 HNZLQCPFHLYMCN-YNEHKIRRSA-N 324.425 -0.140 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)C2(S(C)(=O)=O)CCC2)C1 1197334076 KGYIFYVIHHVPCJ-GHMZBOCLSA-N 302.396 -0.699 30 20 DBED C=CCO[C@H](C)C(=O)N1CCCN(CC(=O)NCC#N)CC1 1198337996 YVGGDIDRANOMFX-CYBMUJFWSA-N 308.382 -0.248 30 20 DBED C[C@H](O)CN1C[C@@H](O)[C@H](NC(=O)CC#Cc2ccccc2)C1 1198944950 RMBBAMMJHGELAG-NUEKZKHPSA-N 302.374 -0.030 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)/C=C\C2CC2)CCCO1 1200189532 HCPODBBFCQZYAX-IDTUSYRASA-N 319.405 -0.091 30 20 DBED N#CCNC[C@H]1CN(C(=O)CCN2C(=O)CCC2=O)CCCO1 1200911563 NHHVCIADOCMJJK-LBPRGKRZSA-N 322.365 -0.744 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)[C@@H](C)CCOC)CC1 1203780126 CLEOFMHDWRSTAP-ZDUSSCGKSA-N 309.410 -0.011 30 20 DBED C#CCNC(=O)[C@H](C)NCC1CCN(C(=O)CCOC)CC1 1204248086 AVQHNSKLZUYJEM-ZDUSSCGKSA-N 309.410 -0.011 30 20 DBED Cn1ncnc1COCC(=O)N1C[C@H]2CC[C@H]1[C@H](NCC#N)C2 1204852996 PSQYKPRVWVJYJP-XQQFMLRXSA-N 318.381 -0.176 30 20 DBED CNS(=O)(=O)CC(=O)N1C[C@H]2CC[C@H]1[C@@H](NCC#N)C2 1204987647 JPQFHWQABCUKRS-DCAQKATOSA-N 300.384 -0.972 30 20 DBED Cn1cc(C(=O)N2CCC(CNCC#N)CC2)c(O)nc1=O 1206925295 VNKKEXYJAMLKIL-UHFFFAOYSA-N 305.338 -0.549 30 20 DBED C=CCCCN1C[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)[C@H](OC)C1 1212420149 YONFTQGQHHJKOM-QJPTWQEYSA-N 324.381 -0.634 30 20 DBED COCC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)C1=COCCO1 1217218786 FFEDKFPJHHDVNM-UONOGXRCSA-N 322.361 -0.564 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CN(C[C@H]2CCNC(=O)CC2)C[C@@H]1O 1219591892 YYYOZSHWTULVKJ-KFWWJZLASA-N 319.405 -0.523 30 20 DBED C=C(C)CCC(=O)N[C@@H]1CN([C@H]2CCC(=O)NC2=O)C[C@@H]1O 1219718954 WZSLUPXDNGSTMC-WOPDTQHZSA-N 309.366 -0.691 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)[C@]2(C)CCC(=O)N2)C1 1220293839 WRNLLXCQHKSSLX-XUJVJEKNSA-N 311.382 -0.981 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)[C@H](C)c2cccnc2)C1 1220779951 CIIDQGVCBKRZGI-BMFZPTHFSA-N 317.389 -0.004 30 20 DBED CN(C)[C@@H](C(=O)N[C@@H]1CN(CC#N)C[C@@H]1O)c1ccccc1 1221096160 NRUVAHLEVODNAS-QLFBSQMISA-N 302.378 -0.026 30 20 DBED COCC#CCN1CC[C@@H]2CN(C(=O)[C@]3(C)CCNC3=O)[C@@H]2C1 1221810419 QOTBFJMAGULDTQ-CKEIUWERSA-N 319.405 -0.305 30 20 DBED N#CCNC(=O)CN1CCC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1223105283 MOCOGDMEOBJDMZ-VXGBXAGGSA-N 323.353 -0.880 30 20 DBED C=CCNC(=O)CN1CC[C@@H]2CCN(C(=O)c3nc[nH]n3)C[C@@H]21 1223697838 NSFVFKVCYRBWHV-NEPJUHHUSA-N 318.381 -0.357 30 20 DBED CN(C)CCC(=O)NCC1CCN(CC(=O)NCC#N)CC1 1224326330 PMNOAAJIVNHYKD-UHFFFAOYSA-N 309.414 -0.594 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCC(CNC(=O)c2nc[nH]n2)CC1 1224895071 ROGCMYQYCWTVRP-LLVKDONJSA-N 320.397 -0.063 30 20 DBED COCC#CCN1CC[C@@H]1CN(C)C(=O)CN1CCCC1=O 1230753806 ZUAKMVYCPWQYDX-CQSZACIVSA-N 307.394 -0.209 30 20 DBED C=CCNC(=O)CN1CC[C@H]1CN(C)C(=O)c1ncn(C)n1 1234069725 WRLFEZSRERUYHL-NSHDSACASA-N 306.370 -0.736 30 20 DBED C#C[C@@H](C)NC(=O)C(=O)Nc1cnn(CC(=O)NC2CC2)c1 1255508106 RGDOZGSOVZTFIL-SECBINFHSA-N 303.322 -0.762 30 20 DBED C[C@H](CO)[C@H]1CCCCN1C(=O)C(=O)N1CCO[C@@H](C#N)C1 1261625262 NNKZJGXWVISZGF-FRRDWIJNSA-N 309.366 -0.253 30 20 DBED C=CCNC(=O)NC(=O)CSc1nnc(C)n1CC(N)=O 1318259167 KUZSLZPHCQOAMW-UHFFFAOYSA-N 312.355 -0.824 30 20 DBED CN1CCC(CCNC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)CC1 1326870453 WWOHEABXGZHGTE-INIZCTEOSA-N 322.409 -0.288 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N(C)Cc1cn(C)nn1 1328124625 KKCCBCVWFAYSIM-YPMHNXCESA-N 321.381 -0.129 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)C[C@@H]2C=CCC2)CC1 1329899740 GRZMCCITQIWDGB-CYBMUJFWSA-N 311.407 -0.046 30 20 DBED C=CCOCCNC(=O)C(=O)N1CC[C@H]2NC(=O)CC[C@H]2C1 1330776561 ANUQWZYPDURLRC-NWDGAFQWSA-N 309.366 -0.568 30 20 DBED C[C@H](CNC(=O)C(=O)N1CCC[C@H](C#N)C1)CN1CCOCC1 1332670166 RFVCDHPMLCWWBK-ZIAGYGMSSA-N 322.409 -0.167 30 20 DBED C=CCN1CCC(NC(=O)C(=O)NCCCn2cncn2)CC1 1336098840 CSRCMCZOPQZVFE-UHFFFAOYSA-N 320.397 -0.449 30 20 DBED CNC(=O)[C@@H](C#N)C(=O)CC1CCN(S(C)(=O)=O)CC1 1341949683 MALJFEDFTXSSLH-JTQLQIEISA-N 301.368 -0.497 30 20 DBED CCN(C(=O)C(=O)N1CCC[C@@H](CC#N)C1)[C@H]1CCNC1=O 1346980966 OGUMYZYEZXNWFP-RYUDHWBXSA-N 306.366 -0.124 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC(=O)N(C)C1 1347551282 KAODHGHKBLVILO-MDZLAQPJSA-N 309.366 -0.569 30 20 DBED N#Cc1n[nH]cc1NC(=O)C1=CC=CN2CCS(=O)(=O)N=C12 1361823482 MGGRZBIKIVREMB-UHFFFAOYSA-N 318.318 -0.283 30 20 DBED N#Cc1cc(CNC(=O)[C@@H]2CCCN(S(N)(=O)=O)C2)ccn1 1362422486 WEYSNFHTDCXAJA-LLVKDONJSA-N 323.378 -0.515 30 20 DBED N#Cc1ncn(CC(=O)NCc2nc([C@H]3CCCO3)n[nH]2)n1 1362611523 OUSHDECRJLFMPI-MRVPVSSYSA-N 302.298 -0.564 30 20 DBED CCOCC(=O)NCc1nc(O)cc(CNC(=O)[C@@H](C)C#N)n1 1371747638 WUKWNJAEWKARCZ-VIFPVBQESA-N 321.337 -0.389 30 20 DBED CCN(CCNC(=O)[C@H](C)C#N)C(=O)CCNS(C)(=O)=O 1373938996 ZQZQZKUUQZZZGP-SNVBAGLBSA-N 318.399 -0.950 30 20 DBED C=C(Cl)CNC[C@H](O)CN(C)C(=O)CCNC(=O)NC 1382416340 XGGAGOGNHRVRDO-JTQLQIEISA-N 306.794 -0.533 30 20 DBED COc1cccc(C(=O)NC[C@H](O)CNC(=O)[C@@H](C)C#N)n1 1399871118 NQBDRXPMVRLRBF-VHSXEESVSA-N 306.322 -0.543 30 20 DBED CNC(=O)NCC(=O)NC[C@H]1CCN1C(=O)c1c[nH]c(C#N)c1 1400409609 BAYKWTREBZGMDK-LLVKDONJSA-N 318.337 -0.854 30 20 DBED COCCN(CCNC(=O)[C@H](C)C#N)C(=O)c1n[nH]c(C)c1O 1405766686 DTJNNURPFSPTFS-SECBINFHSA-N 323.353 -0.212 30 20 DBED COC(=O)NCC(=O)N1[C@H]2CC[C@H]1CN(C(=O)[C@@H](C)C#N)C2 1407728024 WNBXYXKJWKODCA-DCAQKATOSA-N 308.338 -0.296 30 20 DBED C[C@H](CNC(=O)c1ccc(C#N)[nH]1)NC(=O)[C@H]1CCC(=O)N1C 1410272439 QQXSGZAYGGGNKJ-BXKDBHETSA-N 317.349 -0.258 30 20 DBED CC(=O)N[C@H](C)C(=O)N1CCC2(CN(C(=O)[C@@H](C)C#N)C2)C1 1413740771 LTRWJEJENZVDEJ-WDEREUQCSA-N 306.366 -0.268 30 20 DBED CCOC[C@@H]1CN(C(=O)Cn2cc(C#N)c(O)nc2=O)CCO1 1418887078 SFHTWNYYIRVAPI-NSHDSACASA-N 322.321 -0.916 30 20 DBED CCN(CCC#N)C(=O)CN1CC(NC(=O)c2ccnnc2)C1 1418985777 UYRSNBTVVVEQDV-UHFFFAOYSA-N 316.365 -0.347 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]1CN(C)C(=O)CCn1cncn1 1426730100 CNPTXKLYAWSHLC-VXGBXAGGSA-N 304.354 -0.113 30 20 DBED CCn1nc(C(=O)NC[C@@H](C)NC(=O)[C@@H](C)C#N)ccc1=O 1430720172 VSXPRUJXUOLFAZ-VHSXEESVSA-N 305.338 -0.343 30 20 DBED COC[C@H](C)CC(=O)NC[C@@H](O)CNC(=O)c1cc(C#N)c[nH]1 1431513364 HISXFJBKPMHTCE-ZYHUDNBSSA-N 322.365 -0.234 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1cc(C2CC2)on1 1431571919 WWXOSMYPEJJWAZ-WCBMZHEXSA-N 306.322 -0.081 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1n[nH]c2ccccc12 1433341696 WZEGVDMVPWVNRR-NXEZZACHSA-N 315.333 -0.071 30 20 DBED C=C(Br)CN1CC(NC(=O)[C@H](C)NC(N)=O)C1 1438055613 QSEPIXNXLWWLEK-ZETCQYMHSA-N 305.176 -0.248 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@@H](O)CNCC(=O)NCC2CC2)c1 1445150129 GGFSRNURIOHJMS-LBPRGKRZSA-N 319.365 -0.907 30 20 DBED CCN(CCNC(=O)[C@@H](C)C#N)C(=O)CCS(C)(=O)=O 1455659963 RYTJFLNFZIPEKB-JTQLQIEISA-N 303.384 -0.455 30 20 DBED CC[C@@H](CO)NCC(=O)N1CCN(c2oc(C)nc2C#N)CC1 1460786003 BFDFWWVZDZEQOQ-LBPRGKRZSA-N 321.381 -0.136 30 20 DBED CCC1(CNC(=O)CCn2cc(C#N)c(O)nc2=O)COC1 1468146452 WRDHPMUSFUVWIK-UHFFFAOYSA-N 306.322 -0.247 30 20 DBED CCN(CCC#N)C(=O)CN[C@H](C)CNC(=O)c1cn[nH]c1 1480427287 NOPJFALMRKIKQD-LLVKDONJSA-N 306.370 -0.120 30 20 DBED C=C(Cl)CN1CC(O)(CNC(=O)c2cccc(=O)n2C)C1 1484294700 YJJHFYXECSEEPR-UHFFFAOYSA-N 311.769 -0.086 30 20 DBED C[C@H](C#N)C(=O)NCCC1CCN(C(=O)[C@H]2COC(=O)N2)CC1 1499768857 BNELIKJCYGZBAC-ZYHUDNBSSA-N 322.365 -0.001 30 20 DBED N#CCNC(=O)CN1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 1566661335 VXLXUEGOHQKOAW-LLVKDONJSA-N 300.322 -0.670 30 20 DBED C[C@@H](CN(C)C(=O)[C@H](C)C#N)N=c1cc[nH]c(-c2nn[nH]n2)n1 1574693400 HBTXWXGKTCBPPX-BDAKNGLRSA-N 315.341 -0.503 30 20 DBED C#CC[C@H](NC(=O)[C@H]1CC(c2cn(C)nc2C)=NO1)C(=O)O 1588406668 SBOWCAXGNCUPKF-CMPLNLGQSA-N 304.306 -0.186 30 20 DBED C=CCn1cc(C(=O)NCCN=c2cc[nH]c(C(=O)O)n2)nn1 1588910173 NNSVQFVDEVAZTA-UHFFFAOYSA-N 317.309 -0.784 30 20 DBED N#Cc1ncn(CCNC(=O)N2C[C@@H](C(=O)O)[C@H](C3CC3)C2)n1 1601136335 OBRXWNVQCNDBRS-WDEREUQCSA-N 318.337 -0.098 30 20 DBED C#CCOCCC(=O)NCCN=c1cc[nH]cc1-c1nn[nH]n1 1602729173 HWCFLCROTZBXGB-UHFFFAOYSA-N 315.337 -0.748 30 20 DBED C[C@@H](CNc1cnc(-c2nn[nH]n2)cn1)NC(=O)C#CC1CC1 1605400560 ZGJJHYMDEMXTIP-VIFPVBQESA-N 312.337 -0.013 30 20 DBED CCN(CCC#N)S(=O)(=O)N1C[C@@H](C(=O)O)O[C@H](C)C1 1605438636 DQHBMIJRMMLFJC-ZJUUUORDSA-N 305.356 -0.359 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H](CC)C(=O)O)C1=O 1609373930 WKKKKVRLGCHNKD-MRVPVSSYSA-N 311.294 -0.810 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)NCC1(C(N)=O)CCOCC1 1649787215 BHSRNILXFOZAGU-SNVBAGLBSA-N 318.399 -0.806 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H](C)CNC(=O)c1ccc(=O)n(C)c1 1752884875 HTWANATXARFGOE-VXGBXAGGSA-N 318.377 -0.769 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC[C@@H]1CNC(=O)c1cnsn1 1753096923 ADIXTKVPLLWAGC-WDEREUQCSA-N 321.406 -0.130 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC[C@@H]1CNC(=O)c1ccnn1C 1753097388 GFFHFYSNYLDRNX-QWHCGFSZSA-N 317.393 -0.248 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC(NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 1753387387 MYGYTBZATVVLOF-UTUOFQBUSA-N 322.409 -0.621 30 20 DBED C#CCCNC[C@@H]1[C@H](C)CCCN1C(=O)CN1CCNC(=O)C1 1753808930 HOLNUXYEQQTCRU-HUUCEWRRSA-N 320.437 -0.342 30 20 DBED CC(C)n1cnc(C(=O)N[C@@H](C)CNCC(=O)NCC#N)c1 1754276663 AOGJTMKDTCTIBE-NSHDSACASA-N 306.370 -0.188 30 20 DBED C#CCNC(=O)CNC[C@H](C)NC(=O)c1ccnc(C2CC2)n1 1754285596 DWTNJWUYTOGJTA-NSHDSACASA-N 315.377 -0.189 30 20 DBED Cn1ccc(CCC(=O)N[C@@]2(CO)CCCN(CC#N)C2)n1 1754856788 RFKXMQXMHCFCIU-HNNXBMFYSA-N 305.382 -0.181 30 20 DBED C#CCNCCN(CCO)C(=O)c1ccc(C(=O)NC)nc1 1754896786 POPNPBVRFSFSRU-UHFFFAOYSA-N 304.350 -0.902 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)Cn2nnnc2C(C)C)CCO1 1755012960 NNVVBCQIZIFMHW-CYBMUJFWSA-N 320.397 -0.363 30 20 DBED C#CCNC(=O)CN(C)C[C@@H]1CCCN1C(=O)Cc1cnc[nH]1 1755199252 SHAXCLNFKXUZBC-AWEZNQCLSA-N 317.393 -0.376 30 20 DBED C#CCCN1CC(CCO)(NC(=O)c2ccn3nnnc3c2)C1 1755335808 WLISHPCSCLFWQG-UHFFFAOYSA-N 314.349 -0.686 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](CNC(=O)[C@@H](C)OCC#C)[C@H]2C1 1755422399 CLTVESMRZXJREU-TUVASFSCSA-N 317.389 -0.932 30 20 DBED C[C@@H](NCC#N)[C@@H]1CN(C(=O)COCc2nccn2C)CCO1 1755443851 HWLFVFXQVUZLRY-OLZOCXBDSA-N 321.381 -0.334 30 20 DBED COc1nccc(CNC[C@@H](O)CN(C)C(=O)C#CC2CC2)n1 1755778630 YMUSZFXUSNKKSX-CQSZACIVSA-N 318.377 -0.193 30 20 DBED C#CCCN1CC=C(CNC(=O)CN2CC(=O)N(C)C2=O)CC1 1755896262 LGGPPVDZNCGYQA-UHFFFAOYSA-N 318.377 -0.348 30 20 DBED C#CCCCC(=O)N(C)C[C@@H](O)CNC(=O)c1cccnn1 1756661485 ZNXJBALGVSVWGT-LBPRGKRZSA-N 304.350 -0.171 30 20 DBED C=C[C@@](C)(CC)C(=O)N(C)C[C@@H](O)CNC(=O)c1cnnn1C 1756675344 CGVVGPBXQRFHKB-NHYWBVRUSA-N 323.397 -0.034 30 20 DBED C#CCCCC(=O)NC[C@H](O)CN(C)C(=O)c1n[nH]cc1F 1756678457 OOQVUXLTJZOJFM-JTQLQIEISA-N 310.329 -0.099 30 20 DBED CC(=O)NC[C@H]1CN(S(=O)(=O)c2cncc(C#N)c2)CCO1 1771708604 WOACUDAPMIYPSP-LBPRGKRZSA-N 324.362 -0.521 30 20 DBED COc1cc(C=NNCCS(N)(=O)=O)ccc1C(=O)O 1776046819 JTTBOYWIOHYLFS-UHFFFAOYSA-N 301.324 -0.395 30 20 DBED CC(C)(C#N)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CNC(=N)N)C2 1792706939 MWXXZZMPVFXUQG-JGPRNRPPSA-N 320.397 -0.343 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn(C)nc1C)C2 1800450911 JVIBMKBLJIDGER-JJLQDPRZSA-N 316.361 -0.435 30 20 DBED C#CC(=O)N1CC2(CCCN2C(=O)[C@@H]2CCCS2(=O)=O)C1 1845914737 HWDLYUVDHOHQJB-NSHDSACASA-N 310.375 -0.600 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(=O)N(C)C 1847802697 IJESJUPQEGEGAK-AVGNSLFASA-N 321.377 -0.685 30 20 DBED N#Cc1cccc(CS(=O)(=O)NCC(=O)NCC(=O)O)c1 35384518 SLHIEGYJNFLNGH-UHFFFAOYSA-N 311.319 -0.822 30 20 DBED Cn1c(NC[C@H](O)COCC2CC2)c(C#N)c(=O)n(C)c1=O 60320224 IPIMULGIUOVFLR-JTQLQIEISA-N 308.338 -0.845 30 20 DBED C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccn[nH]2)CC1 223366010 FAXGACRIBBYCFV-UHFFFAOYSA-N 313.383 -0.982 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCCC[C@H]2CN)C1=O 262535178 AKVRWWDPSCENLE-JTQLQIEISA-N 308.338 -0.697 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@H](CC)[C@@H](O)C2)C1=O 270661265 RXGVVQMLXJQFJN-UWVGGRQHSA-N 309.322 -0.808 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](CO)C(C)(C)C)C1=O 273373173 PYIBDRVHCBHPRR-SECBINFHSA-N 311.338 -0.514 30 20 DBED N#Cc1ccnc(N2CCN(S(=O)(=O)C3COC3)CC2)c1 276905677 MHOLNHUGONPANL-UHFFFAOYSA-N 308.363 -0.196 30 20 DBED C#CCNC(=O)CCN1CCN(C(=O)[C@@H]2CCCN2C)CC1 292845259 PYSRCRRLXCKURZ-AWEZNQCLSA-N 306.410 -0.636 30 20 DBED CN(C)C(=O)[C@@H]1CC[C@@H](C/N=C(/O)CN2CCOCC2=O)O1 329865034 TWTLCECVRRIPPT-QWRGUYRKSA-N 313.354 -0.563 30 20 DBED C=CCN(CCN1CCCS1(=O)=O)[C@@H]1CCS(=O)(=O)C1 330365608 FSZBHLADNLRWOI-GFCCVEGCSA-N 322.452 -0.303 30 20 DBED CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCN2C(=O)NC(=O)[C@H]2C1 330706765 MBEWMRIUCWFKMD-HFAKWTLXSA-N 321.381 -0.335 30 20 DBED C[C@H](N/C(O)=N/CCNS(C)(=O)=O)C1=CCN(C)CC1 330770478 NUEBLLMBZIDCJS-JTQLQIEISA-N 304.416 -0.310 30 20 DBED CNC(=O)[C@@H]1CCC[C@@H]1NS(=O)(=O)N(C)[C@@H](C)CC#N 337771028 OGSUAVYLGOCGBM-AXFHLTTASA-N 302.400 -0.031 30 20 DBED C=CCOC[C@@H](NS(=O)(=O)N(C)[C@@H](C)CC#N)C(=O)OC 337787483 YFGDNWITSFCROZ-WDEREUQCSA-N 319.383 -0.201 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N[C@H]1CCN(CCOC)C1 343922107 TWRVOARIHZMINA-ZDUSSCGKSA-N 313.398 -0.516 30 20 DBED N#CCc1ccc(C(=O)NCCOCCS(N)(=O)=O)cc1 353318759 UVPXQYGFVBSJRB-UHFFFAOYSA-N 311.363 -0.212 30 20 DBED C=CCNC(=O)NC(=O)CN(C)[C@@H](C)[C@H](C)S(C)(=O)=O 354565517 ZWYXNXMHBOSQHL-UWVGGRQHSA-N 305.400 -0.248 30 20 DBED C=CCOC[C@H](NC(=O)c1cc(C)nc(NC)n1)C(=O)OC 357671323 HTOHVDABEFBTEN-NSHDSACASA-N 308.338 0.301 30 20 DBED C=CCOC[C@@H](NC(=O)[C@H]1CN(CC)CCO1)C(=O)OC 357672246 QIFUSDJUUYZJIL-VXGBXAGGSA-N 300.355 -0.433 30 20 DBED N#C[C@@H]1CN(C(=O)CNC(=O)COc2ccccc2)CCO1 358257571 USCFIPWEGUIOPV-CYBMUJFWSA-N 303.318 -0.067 30 20 DBED N#Cc1ccc(CNC(=O)CN2CCN3C(=O)NC[C@H]3C2)cc1 371864432 YVAUPHDHWBJUTQ-AWEZNQCLSA-N 313.361 -0.116 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1CCO[C@@H](CF)C1 416573210 WHPMUNMAGAGVLV-NSHDSACASA-N 309.363 -0.236 30 20 DBED CCn1cc(C#N)c(=O)n(C[C@@H](O)COC2CCOCC2)c1=O 446797762 ZLZVHYKGDPEIFF-GFCCVEGCSA-N 323.349 -0.542 30 20 DBED C#CCN1CCN(C(=O)CNC(C)(C)CN2CCOCC2)CC1 491714311 MGONFBXEEXXBRB-UHFFFAOYSA-N 322.453 -0.536 30 20 DBED CNC(=O)OC[C@H]1CCCCN1C(=O)Cn1cnc(C#N)n1 496686395 RTGFVUUJJYBDMV-SNVBAGLBSA-N 306.326 -0.113 30 20 DBED CC1(C)CN(C(=O)C(=O)Nc2cccc(C#N)n2)C[C@@H](CO)O1 565949933 CFLUSXADNYPJPV-NSHDSACASA-N 318.333 -0.110 30 20 DBED C[C@H]1CO[C@H](CO)CN1C(=O)C(=O)Nc1cccc(C#N)n1 567834848 JUMUJJNSYYGHJK-ONGXEEELSA-N 304.306 -0.500 30 20 DBED C[C@H](C#N)N(CC(=O)NCCCN(C)S(C)(=O)=O)C1CC1 595719917 BGFSLIODHFSXTM-LLVKDONJSA-N 316.427 -0.239 30 20 DBED N#CCCN(CCC#N)C(=O)[C@H]1CCCN(S(N)(=O)=O)C1 596892244 BYGRCYMAGLSBAN-NSHDSACASA-N 313.383 -0.442 30 20 DBED CNS(=O)(=O)CCNC(=O)Nc1ccn(CCC#N)n1 615252349 QKKWYWSMZJDEGL-UHFFFAOYSA-N 300.344 -0.533 30 20 DBED C=CCOCCNC(=O)C(=O)Nc1ccn(C(C)(C)C(=O)O)n1 659059172 SDAKSRHYKODLQY-UHFFFAOYSA-N 324.337 -0.040 30 20 DBED C=CCn1c(-c2cc[nH]n2)nnc1N1CCO[C@H](C(=O)NC)C1 669029747 MQOHYYWPPUQYTH-NSHDSACASA-N 317.353 -0.195 30 20 DBED N#CCSCC(=O)N(CCN1CCOCC1)CC(=O)O 739092707 UYEFNYFYYLAAKK-UHFFFAOYSA-N 301.368 -0.511 30 20 DBED C#CCOc1ccccc1CNC(=O)c1cn(CC(N)=O)nn1 742679874 RPCWTWKTGPXPLA-UHFFFAOYSA-N 313.317 -0.295 30 20 DBED N#Cc1cccc(CS(=O)(=O)NC(=O)[C@H]2COCCO2)c1 750421065 OWDBTSNLHXGJNU-GFCCVEGCSA-N 310.331 -0.080 30 20 DBED CCN1CCN(C(=O)C(=O)Nc2cnn(CC#N)c2)C[C@@H]1C 754509871 FFEOPRMNZLQGBN-NSHDSACASA-N 304.354 -0.102 30 20 DBED C#C[C@@H](NC(=O)CCN1CCCS1(=O)=O)[C@H]1CCCO1 772891530 UXGPPHRBSZQZFN-VXGBXAGGSA-N 300.380 -0.291 30 20 DBED C#C[C@@H](NC(=O)c1cc(S(N)(=O)=O)cn1C)[C@H]1CCCO1 776269010 HEAFGCRJSBYHHX-ZYHUDNBSSA-N 311.363 -0.417 30 20 DBED C#C[C@H](NC(=O)C(=O)N(C)C[C@@H]1CCC[C@@H]1O)[C@@H]1CCCO1 809309144 DHMPDINPXPXLBM-XUXIUFHCSA-N 308.378 -0.097 30 20 DBED CS(=O)(=O)CCNN=Cc1ccc(S(N)(=O)=O)cc1 811643862 OBJHYXIYNQFXDF-UHFFFAOYSA-N 305.381 -0.698 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC2=NC[C@@H](C)S2)C1=O 819766538 PFOOWUXCFHMSMW-SSDOTTSWSA-N 310.335 -0.429 30 20 DBED N#Cc1c(-c2nn[nH]n2)ncn1CCn1nc2ccccn2c1=O 826382935 BLRVFZJMUIDOPV-UHFFFAOYSA-N 322.292 -0.556 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N[C@@H]1CCN(C2CC2)C1 827489701 UXAWBDKMMYBPNZ-CYBMUJFWSA-N 307.394 -0.162 30 20 DBED N#CCN(CC(=O)O)CC(=O)NC(=O)NCc1cccs1 833066374 WMGKPYYEKVOEMW-UHFFFAOYSA-N 310.335 -0.016 30 20 DBED C#CCO[C@H](C)C(=O)NS(=O)(=O)[C@@H](C)[C@@H](C)C(=O)OC 835312973 GMTPDJJWAMRNQQ-BBBLOLIVSA-N 305.352 -0.332 30 20 DBED C#CCSCCOC(=O)C1CCN(S(N)(=O)=O)CC1 835440533 PGPKVOCYSOVTPK-UHFFFAOYSA-N 306.409 -0.189 30 20 DBED C#CC[C@H](CCOC)NC(=O)NC1CC(NS(C)(=O)=O)C1 858430436 VVTLDKHNMYJYQC-VOMCLLRMSA-N 317.411 -0.206 30 20 DBED C#CC[C@@H](NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)C(=O)OC 861950418 FJBQTOHHQMXPRH-WDEREUQCSA-N 316.379 -0.661 30 20 DBED C#CCNC(=O)CCN1CCC(C(N)=O)(N2CCCCC2)CC1 880253682 XWHPFCXZEXJQEB-UHFFFAOYSA-N 320.437 -0.068 30 20 DBED C#CCN1CCC[C@H](NC(=O)N2CCO[C@H](CNC(C)=O)C2)C1 890370671 DZIMSJSFCWBXDQ-LSDHHAIUSA-N 322.409 -0.370 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N1CCO[C@@H]2COCC[C@@H]21 907747367 FSCOTLPHFQNUTQ-GRYCIOLGSA-N 303.384 -0.188 30 20 DBED C=C(C)C(C)(C)C(=O)N1CC[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 938572967 TUHIISACWQOACB-QWRGUYRKSA-N 308.382 -0.013 30 20 DBED Cc1cc(C(=O)NC[C@H]2CN(C(=O)[C@H](C)C#N)CCO2)nn1C 944504897 OPKMLTNUKWNBFO-PWSUYJOCSA-N 319.365 -0.155 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@H](CNC(=O)c2ccnn2C)C1 944512690 IZOORPOVEYCAHP-WDEREUQCSA-N 305.338 -0.463 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2CCN(C(=O)C(N)=O)C[C@@H]2C)c1 945490295 MCJDXOJOTBPZBE-GXFFZTMASA-N 314.345 -0.485 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@@H]2CCCC[C@H]2NC(=O)C(N)=O)c1 946428489 RLHUTHSCXWYWGK-WDEREUQCSA-N 317.349 -0.224 30 20 DBED C#CCN1CCC(C(=O)N[C@@H]2CN(C(=O)COC)C[C@H]2C)CC1 947127771 RFXGEFCNWIJRJA-UKRRQHHQSA-N 321.421 -0.059 30 20 DBED C=CC(C)(C)C(=O)N1CCC(NC(=O)[C@@H]2CNC(=O)N2)CC1 947712580 ISFJQYKAYWMIQV-NSHDSACASA-N 308.382 -0.013 30 20 DBED C=CCN1CC[C@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)C[C@H]1C 947776258 VFSDXVYGALNRAK-MNOVXSKESA-N 322.365 -0.438 30 20 DBED C#Cc1ccc(C(=O)NCC2CCN(C(=O)C(N)=O)CC2)cn1 949377603 JKGIDNBIKNDDKF-UHFFFAOYSA-N 314.345 -0.483 30 20 DBED CC(=O)N1CC(C(=O)N[C@@H]2CCCN(C(=O)C#CC3CC3)C2)C1 950757896 AEJGBLMATMWVJE-OAHLLOKOSA-N 317.389 -0.015 30 20 DBED C[C@@]1(NC(=O)[C@@H]2CCNC2=O)CCN(C(=O)C#CC2CC2)C1 957269614 JYMWXVWUXGHCQG-MLGOLLRUSA-N 303.362 -0.357 30 20 DBED C=C(Cl)CN1C[C@H](CNC(=O)c2cnn(C)c2N)[C@@H](O)C1 958001121 ZBZGZNZETDRGDU-ONGXEEELSA-N 313.789 -0.223 30 20 DBED C=CCN1C[C@H](CNC(=O)c2cnc3n2CCOC3)[C@@H](O)C1 958151013 CWWYZJPMWUQJPU-AAEUAGOBSA-N 306.366 -0.378 30 20 DBED C=CCN1C[C@H](O)[C@H](CNC(=O)c2ccc3nc(O)[nH]c3n2)C1 958344055 DRMFOZXLBMZASI-SKDRFNHKSA-N 317.349 -0.128 30 20 DBED N#CCN1C[C@@H](O)[C@H](CNC(=O)c2cn(CC3CC3)nn2)C1 958524775 BWWXAUDLNRCTTM-DGCLKSJQSA-N 304.354 -0.766 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2ccc3oc(O)nc3n2)C1 958580983 LTGVUFIBVIFVND-KOLCDFICSA-N 316.317 -0.416 30 20 DBED CN(C)c1ccncc1C(=O)NC[C@@H]1CN(CC#N)C[C@@H]1O 958597147 BNHQTITYKBTNQA-RISCZKNCSA-N 303.366 -0.306 30 20 DBED CC(=O)N1CCC(C(=O)NC[C@@H]2CN(CC#N)C[C@@H]2O)CC1 958657889 QCLZHSKWZAEFIT-KGLIPLIRSA-N 308.382 -0.823 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(O)n2)C1 958787081 MUETYZRRRRSMMS-DLOVCJGASA-N 318.333 -0.409 30 20 DBED C#CCCN1C[C@H]2C(NC(=O)c3cc(=O)n4[nH]cnc4n3)[C@@H]2C1 962277785 AVURVPCMRXUHMJ-NXEZZACHSA-N 312.333 -0.899 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)c1ncccn1 964318865 HYXPBJDAYMWPKY-MNOVXSKESA-N 303.322 -0.407 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(C[C@@H](NC(=O)c3cnccn3)CO2)C1 965621523 DJHAFFSLFKMUBO-WDEREUQCSA-N 315.333 -0.264 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C2CN(C(=O)c3cnco3)C2)CC1 967246129 FULRAYNBTKHZJA-NSHDSACASA-N 317.349 -0.197 30 20 DBED CCN(C(=O)[C@@H]1COCCO1)C1CN(C(=O)C#CC2CC2)C1 967810301 OQSOSXGZCYAVOX-AWEZNQCLSA-N 306.362 -0.126 30 20 DBED CCN(C(=O)[C@@H]1CN(C)CCO1)C1CN(C(=O)[C@@H](C)C#N)C1 967855409 OCBZIMJMURVBBT-AAEUAGOBSA-N 308.382 -0.464 30 20 DBED C#CCN1CC[C@@H](C)[C@@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)C1 968509633 MPLRYGNLFYMIQT-NEPJUHHUSA-N 320.393 -0.223 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@@H](N[C@@H]2CCN(C)C2=O)C1 968956266 HHXCDSIRUMRVQK-KFWWJZLASA-N 318.421 -0.495 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@]1(C)CNC(=O)C1 969410243 DERNJIFOXPHVHY-LSSIXWDNSA-N 318.377 -0.126 30 20 DBED C#CCCN1CC([C@H](C)NC(=O)[C@@H]2COCCN2C(C)=O)C1 970902261 SKBJLFFKUOKEMH-WFASDCNBSA-N 307.394 -0.307 30 20 DBED CN(C[C@H]1CCN1C(=O)C#CC1CC1)C(=O)[C@H]1COCCO1 977391813 FDWAXYOICBMYRT-ZIAGYGMSSA-N 306.362 -0.126 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H]2C[C@@H](NC(=O)c3nc[nH]n3)C2)c1 978695399 HDBWVNOCPSSCNI-WAAGHKOSSA-N 313.321 -0.057 30 20 DBED C#CCN1C[C@@H]2C(CNC(=O)c3c(C)c[nH]c3CC(N)=O)[C@H]2C1 978745382 KYTZHXBUPDFGNW-CHWSQXEVSA-N 314.389 -0.108 30 20 DBED C=CCN1C[C@H]2[C@H](CNC(=O)c3cc(=O)n4[nH]cnc4n3)[C@H]2C1 978959765 FXUAZDVOFTVUOO-RTCCRHLQSA-N 314.349 -0.489 30 20 DBED CN1C(=O)CN(CC(=O)N[C@@H]2CCC[C@@H](NCC#N)C2)C1=O 981456711 KWGTZODIYPFKHA-GHMZBOCLSA-N 307.354 -0.579 30 20 DBED N#CCN1CCCC2(C1)CN(C(=O)CN1CCC(=O)NC1=O)C2 982103833 BEPLVMHGFXZMEK-UHFFFAOYSA-N 319.365 -0.624 30 20 DBED Cc1cc(C)n(CC(=O)N2CCCN(CC#N)CC2)c(=O)n1 982966457 HTCHFQWWQZJFFK-UHFFFAOYSA-N 303.366 -0.082 30 20 DBED C=CCN[C@H]1C[C@H](C)N(C(=O)c2cn(CC(=O)N(C)C)nn2)C1 989832654 VIAZFOZGFIBJSD-RYUDHWBXSA-N 320.397 -0.255 30 20 DBED C=C1CCC(C(=O)N[C@H]2CCN(C(=O)CC(N)=O)C[C@H]2O)CC1 991739024 AFCPKMAJOTYEQY-QWHCGFSZSA-N 323.393 -0.314 30 20 DBED C#CCN[C@@H]1CCC[C@@H]2CN(C(=O)Cn3cnnc3O)C[C@H]21 992697078 PWGAYPVGYWUDSB-JHJVBQTASA-N 303.366 -0.166 30 20 DBED CC(C)CN1C[C@H](C(=O)NC2CN(C(=O)[C@H](C)C#N)C2)CC1=O 993778355 NLHPNNFRZZPKRY-VXGBXAGGSA-N 320.393 -0.022 30 20 DBED C=CCN[C@H]1CN(C(=O)C2CC3(C2)NC(=O)NC3=O)CC1(C)C 996407242 MXXMWCDWVLUTNZ-CSJGVYOVSA-N 320.393 -0.013 30 20 DBED C=CCN[C@@H]1CN(C(=O)C2CC3(C2)NC(=O)NC3=O)CC1(C)C 996407244 MXXMWCDWVLUTNZ-NOEPWBJOSA-N 320.393 -0.013 30 20 DBED C#Cc1ccc(C(=O)N2C[C@@H](NCC(N)=O)C(C)(C)C2)nc1 996530038 ZDUCDPFUBKQAHW-CYBMUJFWSA-N 300.362 -0.012 30 20 DBED N#Cc1cc(C(=O)N2CC(NC(=O)c3csnn3)C2)c[nH]1 996591804 GBEDXWONMZQFBV-UHFFFAOYSA-N 302.319 -0.008 30 20 DBED C#CCN1CC[C@H](n2cc(CNC(=O)[C@@H]3CCCN3C)nn2)C1 999963489 QZKMDHVBKMOOBT-GJZGRUSLSA-N 316.409 -0.132 30 20 DBED C#CCN1CC[C@H](n2cc(CNC(=O)c3cccnn3)nn2)C1 1000032665 DSMXLHVMZGDQKM-ZDUSSCGKSA-N 311.349 -0.122 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CCN([C@H](CC)C(N)=O)CC1 1003055464 IBRRSNYKSNFCCB-CABCVRRESA-N 320.437 -0.072 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](NC(=O)C(N)=O)C(C)(C)C1 1008528653 RFMGQSXTLPVGDA-WOPDTQHZSA-N 323.393 -0.194 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2C(NC(=O)c3cnc(O)n3C)[C@@H]2C1 1013545215 YFCOJTUSLMGXRZ-IWSPIJDZSA-N 303.322 -0.528 30 20 DBED C=C(Br)CN1CC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1 1015634079 KRQIDOKCZPYBRJ-BDAKNGLRSA-N 317.187 -0.233 30 20 DBED N#CCN1CCC2(CC1)C[C@H]2NC(=O)c1nnc(O)nc1O 1016710932 WCIRRMCPDKSBSM-MRVPVSSYSA-N 304.310 -0.609 30 20 DBED C[C@H](C#N)C(=O)N1CC=C(CNC(=O)c2cnnn2C)CC1 1017416476 AFCFJHFNKHSDHG-SNVBAGLBSA-N 302.338 -0.137 30 20 DBED N#CCN1CC[C@H]2[C@@H](CCCN2C(=O)Cn2cnnc2O)C1 1021566270 IBIYIAUYDSBDOJ-RYUDHWBXSA-N 304.354 -0.180 30 20 DBED Cc1cc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2O)nc(C)n1 1024654700 NZXGFNLXXFJXRU-BZHVJNSISA-N 317.349 -0.445 30 20 DBED C#CCNC1CCC(NC(=O)c2cc(=O)n3[nH]cnc3n2)CC1 1026591940 DKKKSVUSCGDICG-UHFFFAOYSA-N 314.349 -0.319 30 20 DBED CC#CCN1CCO[C@@H](CNC(=O)c2coc(C(N)=O)c2)C1 1035455106 RMFNVNCQIQKQPM-LBPRGKRZSA-N 305.334 -0.168 30 20 DBED C#CCCN1CCO[C@H](CNC(=O)c2ccn3nnnc3c2)C1 1035473898 WXQGUFICBUNYAC-CYBMUJFWSA-N 314.349 -0.422 30 20 DBED CC#CCN1CC[C@H]2CN(C(=O)Cn3cnnc3O)CC[C@H]21 1036692921 OSXBCXKYOANDCH-QWHCGFSZSA-N 303.366 -0.070 30 20 DBED CC(C)C#CC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2CCC(=O)N2)C1 1039665331 JFDAHUNFQHMSNI-LRDDRELGSA-N 321.377 -0.996 30 20 DBED CCC(=O)NCC(=O)N1CC[C@](O)(CNC(=O)C#CC2CC2)C1 1039677424 HYCJSHGDZJLTBN-INIZCTEOSA-N 321.377 -0.994 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)c2ccn(C)n2)C1 1039760806 UESOTRDRIHATGX-YGRLFVJLSA-N 305.338 -0.727 30 20 DBED C=CCN1CC[C@@H]2CCN(C(=O)c3cn(CC(N)=O)nn3)C[C@H]21 1042367332 FVFVSQPEESLNEE-DGCLKSJQSA-N 318.381 -0.514 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)[C@H]2CCO[C@@H]2C)C1 1042937869 MGTNUEMPZOXVNX-OLZOCXBDSA-N 308.378 -0.240 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)CC2(O)CCC2)C1 1042946202 YGHRCVLQILVGNY-UHFFFAOYSA-N 308.378 -0.216 30 20 DBED CC(C)(C)C#CC(=O)N1CC(O)(CNC(=O)CN2CCCC2)C1 1043124442 QPVGAIWDSQVIIK-UHFFFAOYSA-N 321.421 -0.179 30 20 DBED CC(C)[C@@H]1CCO[C@@H]1C(=O)NCC1(O)CN(C(=O)[C@H](C)C#N)C1 1043253189 QOMYLLLOHLJMJF-AGIUHOORSA-N 323.393 -0.103 30 20 DBED Cc1nn(C)cc1CC(=O)NCC1(O)CN(C(=O)[C@@H](C)C#N)C1 1043537241 SRYRFKZIDJMDBN-JTQLQIEISA-N 319.365 -0.880 30 20 DBED C=C[C@](C)(CC)C(=O)N1CC(O)(CNC(=O)c2cnn[nH]2)C1 1043806850 IOZARJPMSHZPER-CYBMUJFWSA-N 307.354 -0.290 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)c2c[nH]nc2C)C1 1044350568 JNAAINUQVRXVDV-LLVKDONJSA-N 320.349 -0.940 30 20 DBED CCCn1cc(C(=O)N2CC(O)(CNC(=O)[C@H](C)C#N)C2)nn1 1045547170 WJAMLNIRWISKTJ-SNVBAGLBSA-N 320.353 -0.849 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)CC2=CCOCC2)C1 1045551970 PBVYHWJLVIYTHR-LLVKDONJSA-N 307.350 -0.428 30 20 DBED N#Cc1cncc(N[C@H]2C[C@@H](CNC(=O)[C@@H]3COC(=O)N3)C2)n1 1046369529 IOOOMYAMDOFXFX-NGZCFLSTSA-N 316.321 -0.237 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)COCC=C)C1 1048554771 GVCJJSLHYLECFM-IHRRRGAJSA-N 324.377 -0.743 30 20 DBED N#CCN1C[C@H]2CN(C(=O)[C@@H]3CN4CCC[C@H]4CO3)C[C@H]2C1 1048833294 NCQHRPLCOZHJLU-XGUBFFRZSA-N 304.394 -0.237 30 20 DBED C#CCOCCC(=O)N(C)[C@H]1CN(C(=O)CCCF)C[C@@H]1O 1048847184 CORKPZZBBJCJAB-STQMWFEESA-N 314.357 -0.194 30 20 DBED C=CCN1C[C@H]2CN(C(=O)[C@H]3COCCN3C(C)=O)C[C@H]2C1 1049223159 IIWZGXNBKFISNB-QLFBSQMISA-N 307.394 -0.190 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)Cc2cccnc2)C[C@@H]1O 1049388048 FGIQEEGRSGJSNR-UBHSHLNASA-N 316.361 -0.186 30 20 DBED C[C@@H]1[C@@H](NC(=O)[C@H]2CCC(=O)N2)CCN1c1ccc(C#N)nn1 1050095997 ISHNGHLKMMLZKB-ADEWGFFLSA-N 314.349 -0.290 30 20 DBED N#CCN1CCOC[C@@H]1CNC(=O)[C@H]1CCCCN1C(N)=O 1051201781 UTKAUICOPGKXMR-NWDGAFQWSA-N 309.370 -0.740 30 20 DBED N#Cc1cnc(N2CC[C@@H](NC(=O)c3cnon3)[C@@H](O)C2)cn1 1051719312 SDMBPVZFBDJYAQ-KOLCDFICSA-N 315.293 -0.899 30 20 DBED C#CCN1CCN([C@@H]2CCN(C(=O)Cc3cc[nH]n3)C2)CC1 1052002686 JRHWGQDCBLIPCE-OAHLLOKOSA-N 301.394 -0.196 30 20 DBED N#CCN1CCN([C@H]2CCN(C(=O)C[C@H]3COC(=O)C3)C2)CC1 1052013132 ROWYOQVTTVDZSV-KGLIPLIRSA-N 320.393 -0.318 30 20 DBED N#CCN1CCN([C@H]2CCN(C(=O)c3cncnc3)C2)CC1 1052017729 SRWAOXMOPMTEQE-AWEZNQCLSA-N 300.366 -0.168 30 20 DBED CC(=O)N1CCC[C@H](C(=O)N[C@H]2COC3(C2)CN(CC#N)C3)C1 1053865254 UYOROUYAASCZQR-UONOGXRCSA-N 320.393 -0.272 30 20 DBED N#Cc1cncc(N2CCN(C(=O)C3CS(=O)(=O)C3)CC2)n1 1055914232 SGORIHXMMYWWGH-UHFFFAOYSA-N 321.362 -0.959 30 20 DBED C[C@@H](C#N)C(=O)N[C@@]1(CO)CCCN(C(=O)Cc2cc[nH]n2)C1 1056092566 BLRIBEJNBABZSU-NHYWBVRUSA-N 319.365 -0.418 30 20 DBED Cn1cnc(C(=O)NC2[C@@H]3CN(c4nccnc4C#N)C[C@@H]23)n1 1056203342 RTHUVBMOAILDQJ-RKDXNWHRSA-N 310.321 -0.659 30 20 DBED N#Cc1cncc(N2C[C@H]3C(NC(=O)Cn4nccn4)[C@@H]3C2)n1 1056316323 UUSJQEKHWHFGFI-GHMZBOCLSA-N 310.321 -0.809 30 20 DBED C=CCOCCCC(=O)NCCN(CCO)C(=O)COC 1056784151 BMWPBQBPDMCCQD-UHFFFAOYSA-N 302.371 -0.447 30 20 DBED CCNC(=O)CCC(=O)NCCN(CCO)C(=O)C#CC1CC1 1057531790 ZTHCEBHWGBDERO-UHFFFAOYSA-N 323.393 -0.747 30 20 DBED C#CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)[C@@H](C)COC 1057583331 NMOKDQVSRQJHFS-STQMWFEESA-N 314.382 -0.756 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)CCCCN(C)C 1058236919 LGWLVVGERYXLKM-ZDUSSCGKSA-N 312.414 -0.185 30 20 DBED CN1CCO[C@@H](C(=O)N[C@H]2CCN(c3ccc(C#N)cn3)C2)C1 1058316740 GPYXLQSUGVXGAN-UONOGXRCSA-N 315.377 -0.021 30 20 DBED C[C@@]1(C(=O)N2CC[C@H](N=c3cc[nH]c(C#N)n3)C2)CCNC1=O 1059063150 PJWHUOKKAJSLQG-ZUZCIYMTSA-N 314.349 -0.691 30 20 DBED N#Cc1ccc(N[C@H]2C[C@H](NC(=O)[C@H]3COCCO3)C2)nn1 1059161217 CFPAPUFPXXRUQR-IJLUTSLNSA-N 303.322 -0.177 30 20 DBED Cn1ncc(C(=O)N[C@H]2C[C@H](N=c3cc[nH]c(C#N)n3)C2)c1N 1059200041 ASXYBGPHDOGBHE-KYZUINATSA-N 312.337 -0.541 30 20 DBED C=CCCC(=O)N1CC[C@@H](CCNC(=O)Cn2cnnn2)C1 1059313434 YZIXBPTUFGURSI-GFCCVEGCSA-N 306.370 -0.006 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 1060952784 IVIRZIWCVIVTJW-AAEUAGOBSA-N 313.361 -0.228 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCOC[C@H]1CNC(=O)C(F)F 1061177528 GYCMGAQGVIZDRS-VHSXEESVSA-N 304.293 -0.367 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@H]1COCCN1C(=O)c1nc[nH]n1 1061542376 JLDZWJVWDDQQPS-YGRLFVJLSA-N 323.353 -0.911 30 20 DBED C#CCOCCC(=O)NC[C@@H]1COCCN1C(=O)c1cnco1 1061585288 UWTFHWBIYZKWLD-GFCCVEGCSA-N 321.333 -0.328 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)Cc1cnoc1 1061801077 PHENDHNMBDNWTL-CMPLNLGQSA-N 306.322 -0.280 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)CCCC(N)=O 1061852569 JWKKKMXIJLMXFO-WDEREUQCSA-N 310.354 -0.855 30 20 DBED Cn1nnc(C(=O)N2CCC[C@@H]2CNc2cnc(C#N)cn2)n1 1063544070 DKGZMLDFRSNJHQ-SNVBAGLBSA-N 313.325 -0.412 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)C2(NC(N)=O)CC2)CCC1 1064302675 QYYWAUBRSHXZPT-VIFPVBQESA-N 307.354 -0.498 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CN(C(=O)CCc2nc[nH]n2)CCO1 1065025379 KMPACYMTRYHFJH-QWRGUYRKSA-N 320.353 -0.759 30 20 DBED C#CCCCC(=O)N1CCO[C@H](CNC(=O)CC(=O)NCC)C1 1065093122 RJLMAKYLHZQEKS-CYBMUJFWSA-N 323.393 -0.340 30 20 DBED C#CCO[C@H](C)C(=O)N1CCO[C@@H](CNC(=O)c2cc[nH]n2)C1 1065151689 BLFDUJACIRIHKG-NEPJUHHUSA-N 320.349 -0.595 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@H](CNC(=O)Cn2cccn2)C1 1065557154 NTMYWHAPDUDDKB-NWDGAFQWSA-N 305.338 -0.614 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@H](CNC(=O)COCC(F)F)C1 1065559634 GDPXQZCLGWOYAF-NXEZZACHSA-N 319.308 -0.229 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC[C@H](NC(=O)CNC(N)=O)CC1 1065828851 OFCHCMOHOQTVGG-RYUDHWBXSA-N 324.381 -0.810 30 20 DBED C#CCCCC(=O)N1CC2(CN(C(=O)CC(N)=O)CCO2)C1 1068363334 LZZLOMQOVXKIER-UHFFFAOYSA-N 307.350 -0.895 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1COC2(C1)CN(C(=O)c1cocn1)C2 1069002108 CCYYYMPXNHDNRI-UWVGGRQHSA-N 304.306 -0.066 30 20 DBED CN1CC[C@@H](C(=O)NCc2cnn3c2CN(CC#N)CC3)C1 1069882358 DXVJMOMNZANNAH-GFCCVEGCSA-N 302.382 -0.210 30 20 DBED C=CCCC(=O)N1CCC[C@@H](NC(=O)CN2CCOCC2=O)C1 1070537856 RZBFMPSKOGBQRZ-CYBMUJFWSA-N 323.393 -0.081 30 20 DBED CCS(=O)(=O)CC(=O)N1CCC[C@@H](NC(=O)[C@H](C)C#N)C1 1070863329 SOEFZBJFVKGUOJ-GHMZBOCLSA-N 315.395 -0.312 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)c2nnn(C)c2C)CC1 1070949688 RNJIYUIUEIZIFP-UHFFFAOYSA-N 320.397 -0.426 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)Cc2ccnn2C)CC1 1070958916 ZOTIJXPAZJJJCB-UHFFFAOYSA-N 319.409 -0.201 30 20 DBED CN(CC(=O)N1CCC(=O)NCCN(CC#N)CC1)C1CCC1 1070970498 IIGPDNQCMGRGMR-UHFFFAOYSA-N 321.425 -0.355 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)CN2CCCC2)CC1 1071020712 QRZRYHFXPBJJQN-UHFFFAOYSA-N 308.426 -0.081 30 20 DBED CNC(=O)NC(C)(C)C(=O)N[C@@H]1CCCN(C(=O)[C@@H](C)C#N)C1 1071229485 QXFXZOSRVQVWMJ-WDEREUQCSA-N 323.397 -0.039 30 20 DBED C=CCOCC(=O)N[C@H]1CN(C(=O)CCc2nc[nH]n2)C[C@H]1C 1071878891 WIHYNMJXAMNCNR-NEPJUHHUSA-N 321.381 -0.097 30 20 DBED CC#CCN1C[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)CC[C@@H]1C 1072055374 TXZOSUKBJVHUEV-STQMWFEESA-N 320.393 -0.127 30 20 DBED CC#CCN1CCCO[C@H](CNC(=O)c2nnn(C)c2C)C1 1073562313 PWFJSQLAMUNHDP-CYBMUJFWSA-N 305.382 -0.032 30 20 DBED CNC(=O)NCC(=O)N1CC[C@H](NC(=O)C#CC2CC2)[C@H](C)C1 1073955148 RIRPHQTWNCGZSR-YPMHNXCESA-N 320.393 -0.318 30 20 DBED C#CCOCCC(=O)N[C@H]1CCN(C(=O)CC(N)=O)C[C@H]1C 1073959125 CKFAYGJZTISBKK-NEPJUHHUSA-N 309.366 -0.745 30 20 DBED N#CCN1CCO[C@H]2CCN(C(=O)Cc3cncnc3)C[C@@H]21 1074226227 MFNQQMSFZAOKAV-KBPBESRZSA-N 301.350 -0.156 30 20 DBED C=CCN1CCO[C@H]2CCN(C(=O)C3CS(=O)(=O)C3)C[C@H]21 1074248312 DHEZUTWQBPTFFT-OLZOCXBDSA-N 314.407 -0.481 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)c3cncnc3O)C[C@@H]21 1074276881 UZVVKKSOHWFVSM-QWHCGFSZSA-N 302.334 -0.269 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)c3cn(C)c(=O)cn3)C[C@H]21 1074302361 OXKMSJXLNDFUFS-ZIAGYGMSSA-N 316.361 -0.671 30 20 DBED C[C@H]1C[C@H](NC(=O)CC(N)=O)CCN1C(=O)c1c[nH]c(C#N)c1 1074909947 SCPSTQXDXWQXQY-GXSJLCMTSA-N 317.349 -0.129 30 20 DBED C[C@@H](CCNC(=O)C#CC1CC1)NC(=O)C(=O)NCC(F)F 1076431461 GQXGYKOJMMGZQO-VIFPVBQESA-N 315.320 -0.208 30 20 DBED C#CCCN1C[C@@H]2CCN(C(=O)[C@@H]3CN(C(C)=O)CCO3)[C@@H]2C1 1076517077 HQOCEGKXHNRAOD-XHSDSOJGSA-N 319.405 -0.210 30 20 DBED C=CCn1cccc1C(=O)N[C@@H]1CN([C@H](C)C(=O)NC)C[C@H]1O 1077139046 VCXOBSUWCUWCLE-YRGRVCCFSA-N 320.393 -0.417 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCN(C(=O)CC)C2)C1 1077953661 JEELZAASYBPFBU-MGPQQGTHSA-N 307.394 -0.571 30 20 DBED C=CCOCC(=O)N1CC(N(CC)C(=O)[C@H](C)NC(C)=O)C1 1079264813 PSLMCIHLWOBEMB-NSHDSACASA-N 311.382 -0.227 30 20 DBED CCN(C(=O)CS(C)(=O)=O)C1CN(C(=O)[C@H](C)C#N)C1 1079419489 ODAUOIYTTKZDEZ-SECBINFHSA-N 301.368 -0.750 30 20 DBED C#CCNC(=O)CC(=O)N(CC)C1CN(C(=O)[C@H](C)COC)C1 1079644765 RWAFMGYXBOINNF-GFCCVEGCSA-N 323.393 -0.532 30 20 DBED C#CCCCC(=O)N(CC)C1CN(C(=O)CCn2cnnn2)C1 1079681162 YFNBYVOEDRWDGI-UHFFFAOYSA-N 318.381 -0.074 30 20 DBED C#CCO[C@H](C)C(=O)N(CC)CC1CCN(C(=O)C(N)=O)CC1 1081116188 CNIMKBMZNRKJDQ-GFCCVEGCSA-N 323.393 -0.403 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)Cc2cnoc2)C[C@@H]1O 1081462687 DCNSOIWYUOEHJB-KBPBESRZSA-N 319.361 -0.188 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)Cc2cnoc2)C[C@@H]1O 1081462688 DCNSOIWYUOEHJB-KGLIPLIRSA-N 319.361 -0.188 30 20 DBED C#CCN1C[C@@H](NC(=O)c2cc(C(N)=O)cn2C)[C@H](OC)C1 1081897088 HGLVTDBFGNPAJI-DGCLKSJQSA-N 304.350 -0.814 30 20 DBED COc1cnc(C(=O)N2CCO[C@@H]3CN(CC#N)C[C@@H]32)nc1 1083138492 ACPLBXJEIMMBPI-NWDGAFQWSA-N 303.322 -0.466 30 20 DBED CN1CCCC[C@H](C(=O)N2CCO[C@@H]3CN(CC#N)C[C@@H]32)C1=O 1083246731 HIETZQSJAYFRCF-MELADBBJSA-N 320.393 -0.320 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)C[C@@H]2CCN(C)C2=O)C1 1083548863 GZYSNBQORCJQCQ-TUAOUCFPSA-N 315.801 -0.231 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)Cn2c(C)cc(C)nc2=O)C1 1083894666 RCAKDQDOFOCUTN-KGLIPLIRSA-N 320.393 -0.402 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCc3nn[nH]c3C2)C1 1083950035 WYEYRBSMNSZVJR-HONMWMINSA-N 303.366 -0.906 30 20 DBED N#CCN1C[C@H](NC(=O)Cc2nc[nH]n2)CC2(CCOCC2)C1 1089963319 BUVYMEJAQUODDD-GFCCVEGCSA-N 318.381 -0.142 30 20 DBED N#CCN1CC[C@H](NC(=O)c2cc(O)nc(C3CC3)n2)[C@@H](O)C1 1090340860 DSLODKFZAGXMIN-JQWIXIFHSA-N 317.349 -0.252 30 20 DBED C=C(C)CCN1CC[C@@H](NC(=O)CN2CCCNC2=O)[C@H](O)C1 1090392214 RCDHTNHEZARUGR-ZIAGYGMSSA-N 324.425 -0.081 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2cc3n(n2)CCCO3)[C@H](O)C1 1090425736 SDPVVUQIRZCPLR-ZYHUDNBSSA-N 305.338 -0.646 30 20 DBED CC(C)(C(N)=O)C(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1O 1090501807 DTYVSYLSLLOLIC-GHMZBOCLSA-N 317.349 -0.870 30 20 DBED N#Cc1ccc(F)cc1CN1CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C1 1090532073 QQXRXPMPJYZBNT-OLZOCXBDSA-N 320.324 -0.766 30 20 DBED C[C@@H]1CN(C(=O)CCNC(N)=O)C[C@H]1Nc1cnc(C#N)cn1 1090975774 FCKHNNPGLGGECY-MWLCHTKSSA-N 317.353 -0.335 30 20 DBED CCOCC(=O)N[C@@H]1CN(c2cc(C#N)nc(CC)n2)C[C@@H]1O 1091069756 QVWZZTBETCDPSU-NEPJUHHUSA-N 319.365 -0.387 30 20 DBED C#CCNC(=O)CC(=O)N1CCN(c2cncc(Cl)n2)CC1 1093149119 YKALIQHPNKCNIF-UHFFFAOYSA-N 321.768 -0.082 30 20 DBED C[C@@H](C#N)C(=O)N1CC(n2cc(CNC[C@H]3CCOC3)nn2)C1 1093311547 FGIGBWLTYCKFHO-NWDGAFQWSA-N 318.381 -0.053 30 20 DBED C[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1CNCc1nc(=O)n(C)[nH]1 1093679758 ZSKPZLIXGGAVPD-GMTAPVOTSA-N 306.370 -0.548 30 20 DBED CCc1nc(C#N)cc(NCCNC(=O)[C@@H]2CCC(=O)N2)n1 1093783134 WAJWAKSYPMMHGU-JTQLQIEISA-N 302.338 -0.283 30 20 DBED N#Cc1nccnc1NCCNC(=O)[C@H]1CCCCN1C(N)=O 1093855973 KOCFARYHGHEVGA-LLVKDONJSA-N 317.353 -0.190 30 20 DBED C=CCCN1CCN(C(=O)c2ncc[nH]2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094629225 DGZDIFDPDFUADE-NWDGAFQWSA-N 324.406 -0.091 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)c3cnn(C)c3C)CC2=O)C1 1094704157 RSPLVXSFLKZZPS-GFCCVEGCSA-N 315.377 -0.623 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)c3n[nH]cc3C)CC2=O)C1 1094735243 IDPZEKZCCKBVRY-LLVKDONJSA-N 301.350 -0.634 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)c3ccc(C#C)nc3)CC2=O)C1 1094806636 VSNVFBDJXXBUMP-OAHLLOKOSA-N 322.368 -0.289 30 20 DBED CN(C)C(=O)CC(=O)NC1CCN(c2ccc(C#N)nn2)CC1 1095450044 XDYQSDDIQCMKGS-UHFFFAOYSA-N 316.365 -0.088 30 20 DBED COC[C@H](OC)C(=O)NCCCN(C)c1cnc(C#N)cn1 1095733558 HZIKNDXNAIZDBG-LBPRGKRZSA-N 307.354 -0.048 30 20 DBED CCN(CCCNC(=O)CNC(N)=O)c1ccc(C#N)nc1 1095834201 MKABVSYULUAXMP-UHFFFAOYSA-N 304.354 -0.046 30 20 DBED C[C@H](NC(N)=O)C(=O)N[C@H]1CCCN(c2cncc(C#N)n2)C1 1096162539 NJHXCKACOQTEDL-UWVGGRQHSA-N 317.353 -0.510 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CCN(c2nc(C)cc(C)n2)C1 1096359639 FLEVFEJMXUDLEO-ZDUSSCGKSA-N 315.377 -0.072 30 20 DBED CCC(=O)N[C@@H](C)C(=O)N[C@@H]1CCN(c2cnc(C#N)cn2)C1 1096495818 STSHGYMJWVBYOP-WDEREUQCSA-N 316.365 -0.042 30 20 DBED C[C@@H](CNC(=O)CSCC#N)Nc1ncnc2c1nnn2C 1097676123 LSLOFWJNVHOTSD-QMMMGPOBSA-N 320.382 -0.068 30 20 DBED C[C@@H](CNC(=O)[C@]1(C)CNC(=O)C1)N=c1cc[nH]cc1C#N 1098153199 MLFGOYIQJGXWGI-BONVTDFDSA-N 301.350 -0.182 30 20 DBED C=CCCNCc1cn([C@H]2CCN(C(=O)CNC(N)=O)C2)nn1 1098615207 MUMPXRNRXCCZEQ-LBPRGKRZSA-N 321.385 -0.615 30 20 DBED C#CCNCc1cn([C@H]2CCN(C(=O)c3nc[nH]n3)C2)nn1 1098750911 DRRRMVXUXCYZJX-NSHDSACASA-N 300.326 -0.794 30 20 DBED C=C(Cl)CN1CC[C@H](NC(=O)COCCOC)[C@@H](O)C1 1099735340 DAKFMFYTGPNKPJ-RYUDHWBXSA-N 306.790 -0.047 30 20 DBED C#CCCCC(=O)N[C@@H]1CCN(CC(=O)NCC2CC2)C[C@H]1O 1099806808 GRGGCSYHCSFKRB-HUUCEWRRSA-N 321.421 -0.133 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)Cc2cnc(C)o2)[C@@H](O)C1 1099869662 SLQOBPGALRZBRR-CABCVRRESA-N 321.377 -0.273 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)c2cnc(O)n2C)[C@@H](O)C1 1099944374 MVJYMPRKOIWXKH-AAEUAGOBSA-N 324.381 -0.507 30 20 DBED COC(=O)[C@H]1C[C@H]1C(=O)NCCN(C)c1ccnc(C#N)n1 1099961598 ZIKHOGASHYPTDC-ZJUUUORDSA-N 303.322 -0.290 30 20 DBED COC[C@@H](O)CNC1CC(CNC(=O)c2cc(C#N)c[nH]2)C1 1100221740 SNRLWPFICFHREA-GDKBPFBDSA-N 306.366 -0.008 30 20 DBED CCc1nc(C#N)cc(N(C)CCNC(=O)[C@H]2CNC(=O)N2)n1 1100308582 IZZIPXQNLOKTBF-SNVBAGLBSA-N 317.353 -0.856 30 20 DBED CN(C)C(=O)CC(=O)NCCN(c1ccnc(C#N)n1)C1CC1 1101457640 VUTNJELPLPLCKA-UHFFFAOYSA-N 316.365 -0.088 30 20 DBED CCn1ncc(C(=O)N(C)CCN=c2cc[nH]c(C#N)n2)n1 1101580464 CCSMWIJRYMCRIH-UHFFFAOYSA-N 300.326 -0.434 30 20 DBED Cc1nc(CC(=O)N(C)CCNc2ccc(C#N)nn2)n[nH]1 1101595500 YCKFWFITYBNVLF-UHFFFAOYSA-N 300.326 -0.112 30 20 DBED CN(CCNc1ccc(C#N)cn1)C(=O)CN1C(=O)CCC1=O 1101609384 AKPVGHVMJLVODB-UHFFFAOYSA-N 315.333 -0.027 30 20 DBED N#Cc1ccc(N2CC[C@H](CCNC(=O)CC(N)=O)C2)nn1 1102308146 FOABJOLRGPIWCG-JTQLQIEISA-N 302.338 -0.444 30 20 DBED Cc1cc(N2CC[C@@H](N(C)C(=O)CNC(N)=O)C2)c(C#N)cn1 1102668344 JFPBQNCLAPZMHP-GFCCVEGCSA-N 316.365 -0.033 30 20 DBED CNC(=O)NCC(=O)N(C)[C@H]1CCN(c2cnc(C#N)cn2)C1 1102767381 ZNZNFWZUOMWDPC-NSHDSACASA-N 317.353 -0.686 30 20 DBED CC[C@@H](CNC(=O)[C@H](C)NC(N)=O)Nc1cncc(C#N)n1 1103046350 RLRUUAVIKKJEMD-IUCAKERBSA-N 305.342 -0.288 30 20 DBED CNC(=O)NCC(=O)N1CCC[C@@H]1CNc1ccc(C#N)nn1 1103824672 UDCNGABCCIXBTC-LLVKDONJSA-N 317.353 -0.320 30 20 DBED C[C@@H]1CN(C(=O)CNC(N)=O)CC[C@@H]1Nc1cnc(C#N)cn1 1105030769 YJMNLBWDFCTAKN-KOLCDFICSA-N 317.353 -0.335 30 20 DBED CC(C)[C@@H](CNC(=O)[C@H](C)NC(N)=O)N=c1cc[nH]cc1C#N 1105178396 XRYHZDRINCUANQ-GXFFZTMASA-N 318.381 -0.015 30 20 DBED N#CCNCc1cn(C2CN(C(=O)C[C@H]3CCOC3)C2)nn1 1105197583 ZEQMITOWHJNVLY-LLVKDONJSA-N 304.354 -0.299 30 20 DBED C#CCCNCc1cn(C2CN(C(=O)[C@]3(F)CCOC3)C2)nn1 1105312093 BNANJZSJUTVADW-HNNXBMFYSA-N 321.356 -0.097 30 20 DBED C#CCNCc1cn(C2CN(C(=O)[C@@H]3CCO[C@@H]3C)C2)nn1 1105349409 IXADGPCAHKZUAO-BXUZGUMPSA-N 303.366 -0.191 30 20 DBED CN(CCN(C)c1ccnc(C#N)n1)C(=O)[C@H]1CCNC(=O)C1 1105358513 SJQBXQXVOMAJLE-NSHDSACASA-N 316.365 -0.231 30 20 DBED COC[C@H](OC)C(=O)N(C)CCN(C)c1cnc(C#N)cn1 1105562783 SIKPFRYJQKUDPW-LBPRGKRZSA-N 307.354 -0.096 30 20 DBED C=CCCO[C@H](C)C(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1 1105737889 LRGBBEDSCLZVFW-NEPJUHHUSA-N 319.365 -0.360 30 20 DBED Cc1c(C(=O)NC[C@@H](O)CNc2cnc(C#N)cn2)cnn1C 1105752314 QSIBKQUALPPXCW-NSHDSACASA-N 315.337 -0.407 30 20 DBED CCn1cc(C(=O)NC[C@H](O)CNc2nccnc2C#N)nn1 1105954071 OCXKWQUQHKZTSD-SECBINFHSA-N 316.325 -0.838 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H](O)CNc1cc(OCC)ncn1 1105970998 QTERIZKZVRBMOE-RYUDHWBXSA-N 322.365 -0.197 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](O)CNC(=O)c2cnco2)n1 1106041963 NFCWUQOHOIWVBO-JTQLQIEISA-N 302.294 -0.153 30 20 DBED C[C@@H]1CCN(CC(=O)NC[C@H](O)CNc2ccc(C#N)nn2)C1 1106104051 GVFZZZYBOHASOJ-DGCLKSJQSA-N 318.381 -0.421 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](O)CNc1nccnc1C#N 1106124823 CKQIIGJWIUGXAM-WZRBSPASSA-N 317.349 -0.172 30 20 DBED C[C@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)CN1CCOCC1 1106279562 KSDDJOLRAJMFDZ-GFCCVEGCSA-N 318.381 -0.591 30 20 DBED C[C@@H](CCNc1cnc(C#N)cn1)NC(=O)[C@H]1COC(=O)N1 1106314012 ULFGJGDTTDQCJS-WCBMZHEXSA-N 304.310 -0.237 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)c2ccnnc2)C[C@H]1C 1106695957 RMEMHCBKLYRWOT-TZMCWYRMSA-N 315.377 -0.476 30 20 DBED CCN(CCNc1cnc(C#N)cn1)C(=O)[C@@H]1CNC(=O)N1 1106928099 FENZHYDDVUIFQH-JTQLQIEISA-N 303.326 -0.710 30 20 DBED C=C(Cl)CN1CCO[C@@](C)(CNC(=O)Cn2cnnn2)C1 1107727933 MAHGNNWJWUCIKP-LBPRGKRZSA-N 314.777 -0.367 30 20 DBED C[C@H](CNc1ccc(C#N)nn1)NC(=O)[C@H]1CCCS1(=O)=O 1107772532 AQWGRQLSEYBCNI-MWLCHTKSSA-N 323.378 -0.158 30 20 DBED CC#CCN1CCO[C@](C)(CNC(=O)[C@H]2CN(C)C(=O)N2)C1 1108119469 NVORIWFKNXICJD-IUODEOHRSA-N 308.382 -0.760 30 20 DBED C#Cc1cncc(C(=O)NC[C@@]2(C)CN(CCO)CCO2)c1 1108203125 WBCKTWWLCVCIOA-INIZCTEOSA-N 303.362 -0.124 30 20 DBED Cn1nc(C(=O)NC[C@]2(C)CN(CC#N)CCO2)ccc1=O 1108382093 ITOCBNBWEFUAPX-CQSZACIVSA-N 305.338 -0.875 30 20 DBED CCS(=O)(=O)NCC(=O)N1C[C@H]2C[C@H](NCC#N)C[C@H]1C2 1108699879 PBRRLJMZWHIMBP-SDDRHHMPSA-N 314.411 -0.582 30 20 DBED Cc1cc(C#N)nc(N(C)C[C@@H](C)NC(=O)[C@H]2CCNC2=O)n1 1109205639 MYDBRNOVNPRIBE-PWSUYJOCSA-N 316.365 -0.266 30 20 DBED C[C@@H](CN(C)c1ccc(C#N)cn1)NC(=O)[C@H]1CNC(=O)N1 1109210609 DIGMAWNPUWAOLJ-GXSJLCMTSA-N 302.338 -0.424 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C[C@H](C)NC(N)=O 1109285088 RYXMEKKOERELRX-CRWXNKLISA-N 322.409 -0.195 30 20 DBED CN1C[C@@H](C(=O)N(C)CCCN=c2cc[nH]c(C#N)n2)NC1=O 1109579012 YULIDEGOFDQNRI-JTQLQIEISA-N 317.353 -0.946 30 20 DBED CNC(=O)CC(=O)N[C@H](CNc1nccnc1C#N)C1CC1 1109841797 JNJZAQRAHGQERM-LLVKDONJSA-N 302.338 -0.209 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C1CC(OC)C1 1110698092 ZXNBDBBRUXOKGQ-MLPRRRGUSA-N 319.405 -0.118 30 20 DBED N#Cc1cccnc1NCCN(CCO)C(=O)[C@H]1CCC(=O)N1 1111445230 RCINKVGUZUPXDA-GFCCVEGCSA-N 317.349 -0.535 30 20 DBED N#Cc1nccnc1NCC1(NC(=O)CC(N)=O)CCOCC1 1112245319 NLPMZLCWEPPEJP-UHFFFAOYSA-N 318.337 -0.699 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)c2cc(OC)no2)CC1 1112782437 UAESMLIZGWUSIY-LLVKDONJSA-N 320.349 -0.421 30 20 DBED COCC#CCN1CCN(C(=O)C(=O)N2CC[C@@H](C)C2)CC1 1113514439 OCIYTEFYLYEQAQ-CQSZACIVSA-N 307.394 -0.351 30 20 DBED Cc1ccc(CC(=O)N2CCN(CC(=O)NCC#N)CC2)cn1 1113634557 KAEVOASCSCXAAT-UHFFFAOYSA-N 315.377 -0.284 30 20 DBED C=CCO[C@H](C)C(=O)N1CCN(CCN2C(=O)CCC2=O)CC1 1113714627 IIHVJWZBDYXQRM-CYBMUJFWSA-N 323.393 -0.129 30 20 DBED C[C@H](CNC(=O)[C@H]1CCCC(=O)N1)N(C)c1cncc(C#N)n1 1113748810 GYKPXBMOOZTFOS-ZYHUDNBSSA-N 316.365 -0.042 30 20 DBED C[C@H](CNC(=O)C[C@@H]1CCNC1=O)N(C)c1ccc(C#N)nn1 1113755436 CLZZMUKJSCHXKW-MNOVXSKESA-N 316.365 -0.185 30 20 DBED CC(C)NC(=O)CN1C[C@@H]2C(NC(=O)CSCC#N)[C@H]2C1 1113891297 PFXCZNWHWODYJD-QWRGUYRKSA-N 310.423 -0.186 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)C[C@H]3CCOC3)[C@@H]2C1 1114088061 HPQOLZOOAOYGGL-JHJVBQTASA-N 307.394 -0.238 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1[C@@H]2CN(Cc3nonc3C)C[C@@H]21 1114157390 DSWJONRNAIVMEX-HBYGRHMLSA-N 317.349 -0.936 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)c3cncnc3)[C@@H]2C1 1114161281 DQRRGJRMAXWRCN-CYZMBNFOSA-N 313.361 -0.726 30 20 DBED C=C[C@](C)(O)CC(=O)NC1[C@H]2CN(CCn3cncn3)C[C@H]12 1114193747 HBHSTHRJCZTIDU-HUBLWGQQSA-N 305.382 -0.348 30 20 DBED O=C(C#CC1CC1)NCC1[C@H]2CN(c3nccn4nnnc34)C[C@H]12 1114544697 SKRMJCHNZYSWPG-CHWSQXEVSA-N 323.360 -0.269 30 20 DBED CN(CCOCCNC(=O)[C@@H]1CCOC1)c1cncc(C#N)n1 1115180913 XGSIQIAFJBNFLO-GFCCVEGCSA-N 319.365 -0.046 30 20 DBED Cc1cc(=N[C@H](C)CN(C)C(=O)c2nnn(C)n2)c(C#N)c[nH]1 1120502487 QBOTUPWEESNCFS-SNVBAGLBSA-N 314.353 -0.220 30 20 DBED Cc1cccc(C(=O)NC[C@@H](CO)N=c2cc[nH]c(C#N)n2)n1 1121072816 BOKYCZUELPYZPS-NSHDSACASA-N 312.333 -0.324 30 20 DBED CN1CCC[C@@H]1C(=O)NC[C@@H](CO)Nc1ncccc1C#N 1121242870 RYKBXTWJDXGOGO-QWHCGFSZSA-N 303.366 -0.064 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H](CO)Nc1nc(C)cc(OC)n1 1122036988 SLIGNEJWSPSRCB-NEPJUHHUSA-N 322.365 -0.279 30 20 DBED N#Cc1c[nH]c(C(=O)NCCNCC(=O)Nc2cnccn2)c1 1125390996 MYROQKNCYISTNO-UHFFFAOYSA-N 313.321 -0.366 30 20 DBED C[C@@H](CNCCNC(=O)c1c[nH]c(C#N)c1)CS(C)(=O)=O 1125995131 VEBRDRGNLPLOEC-JTQLQIEISA-N 312.395 -0.114 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCNCCCS(=O)(=O)N(C)C 1126377759 FMAUXNPPPLXHBZ-CYBMUJFWSA-N 321.443 -0.699 30 20 DBED CC#CCN[C@@H]1CN(C(=O)CCCN(C)C)C[C@@H]1n1ccnn1 1129983337 YAXBDNUGGMOKAN-CABCVRRESA-N 318.425 -0.015 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)c2ncc(OC)cn2)C1=O 1131127364 JXUJZZDZTSFKTI-GFCCVEGCSA-N 319.365 -0.409 30 20 DBED CCC(=O)N[C@@H](C)C(=O)N1C[C@@H]2C[C@@H]3CN(CC#N)C[C@]2(C1)O3 1131230560 LLXMNHXZAWCKRA-BCUIYNNISA-N 320.393 -0.274 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)C[C@](C)(O)C=C)CC1 1131357283 OHLHEZNLBUJUQV-MRXNPFEDSA-N 307.394 -0.403 30 20 DBED C=C(C)CCC(=O)N1CCC(=O)NCCN(CC(=O)NC)CC1 1131364637 UHRDFPZIGDMYEA-UHFFFAOYSA-N 324.425 -0.261 30 20 DBED C[C@@H]1CN(C(=O)CCCC(N)=O)C[C@@]2(CCN(CC#N)C2)O1 1131703464 BZGJKAZLJGWLTM-DOMZBBRYSA-N 308.382 -0.143 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CCC(=O)N1C(C)C 1132808257 QQDIYLFZCVPOTK-STQMWFEESA-N 322.409 -0.771 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)CCN2CCOCC2)C1=O 1135352587 JCTPRXMQSKNKBY-AWEZNQCLSA-N 324.425 -0.799 30 20 DBED C=CCOCCNCCNC(=O)Cn1c(C)cc(C)nc1=O 1135832786 BXLHXNDBJNZYJG-UHFFFAOYSA-N 308.382 -0.231 30 20 DBED N#CCNC(=O)CN1CCC2(C1)CN(C(=O)[C@H]1CCCOC1)C2 1147200397 FXCXMKIDEQVJKA-ZDUSSCGKSA-N 320.393 -0.413 30 20 DBED C#CCOc1ncccc1C(=O)NCCN[C@H]1CCNC1=O 1148302297 KEXQOWLYMQSVOB-LBPRGKRZSA-N 302.334 -0.699 30 20 DBED N#CCNC(=O)CN1CCCO[C@H](CNC(=O)C(F)F)C1 1148986341 NHIPPMAJTASCOC-SECBINFHSA-N 304.297 -0.902 30 20 DBED C=C(Cl)CN1CCCO[C@H](CNC(=O)Cn2ncnn2)C1 1149739459 NHQXDKIGUZSINB-LLVKDONJSA-N 314.777 -0.367 30 20 DBED CC#CCN1CCCO[C@@H](CNC(=O)[C@H](C)S(C)(=O)=O)C1 1149903642 NRJRGZWKRSPVEV-STQMWFEESA-N 316.423 -0.350 30 20 DBED CCN(CC#CCOC)[C@H](C)CNC(=O)[C@H]1CC(=O)N(C)C1 1153689031 WNCVOYMPUASKNO-KGLIPLIRSA-N 309.410 -0.059 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)c1coc(OC)n1 1154484630 DYUVVEIKMZMYSS-SNVBAGLBSA-N 323.353 -0.237 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)[C@H]2CCCN2C)C1=O 1155812513 NXBMYIKPWPUTJP-ZIAGYGMSSA-N 308.426 -0.037 30 20 DBED CCN(CCC#N)C(=O)CNCCCNC(=O)[C@H](O)C(C)C 1157402325 IEXMIIYIFMLFCH-CQSZACIVSA-N 312.414 -0.139 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)CO[C@@H]1CCOC1 1157952303 AWAIFFLBNHOWAO-CHWSQXEVSA-N 313.398 -0.422 30 20 DBED C#CCC1(C(=O)NCCCNCc2nnn(C)n2)CCOCC1 1159650980 NJXOXUASDGJXGF-UHFFFAOYSA-N 320.397 -0.374 30 20 DBED COc1ncccc1C(=O)NCCCNCC(=O)NCC#N 1165748145 KDHQGGPNGIGWDT-UHFFFAOYSA-N 305.338 -0.561 30 20 DBED C=C(C)CN(CC)C(=O)CNCCCNC(=O)c1cnn(C)n1 1168325907 HAFLDYAQAIFFPE-UHFFFAOYSA-N 322.413 -0.051 30 20 DBED C#CCNCCCC[C@@H](C)NC(=O)CN1CCN(C)C(=O)C1 1171603551 BESHQMXWWODLMI-CQSZACIVSA-N 308.426 -0.342 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@H]1CCCC(=O)N1C 1174942953 JHOVXNDSGHZRNC-GFCCVEGCSA-N 310.398 -0.605 30 20 DBED CC(=O)N[C@@H](CC(=O)N[C@H](C)CCCCNCC#N)C(N)=O 1175582158 ZCXFMBDCCVHGBX-PWSUYJOCSA-N 311.386 -0.845 30 20 DBED Cn1[nH]c(CN[C@@H]2CCN(C(=O)CSCC#N)C2)nc1=O 1181098070 RCXRIGKDHVPDLJ-SECBINFHSA-N 310.383 -0.944 30 20 DBED C[C@@H]1CN(C(=O)CC(C)(C)O)CC[C@H]1CNCC(=O)NCC#N 1184273521 KVDCGEWTBCWEHY-OLZOCXBDSA-N 324.425 -0.139 30 20 DBED C#CCNC[C@@H]1CCN(C(=O)CN2CCN(C)C(=O)C2)C[C@@H]1C 1184693749 UIEUCLTWAOUIJC-GJZGRUSLSA-N 320.437 -0.532 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2cc(CCC)[nH]n2)C1 1184746021 FKUFINJPXCBJRD-CYBMUJFWSA-N 317.393 -0.084 30 20 DBED C#CCOCCC(=O)N1C[C@H](CNCCO)C2(CCOCC2)C1 1186373390 JGFNAPOFRSOXRH-HNNXBMFYSA-N 324.421 -0.137 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)CN(C)C(C)C)[C@@H]2C1 1190350850 LTIFRGDGPBCNPR-LSDHHAIUSA-N 320.437 -0.391 30 20 DBED CC[C@H](C(=O)N1CC[C@@H](N(C)CC(=O)NCC#N)C1)N(C)C 1190889444 KYMUONUJILQXEK-CHWSQXEVSA-N 309.414 -0.501 30 20 DBED CCOCC1(C(=O)N2CC[C@H](N(C)CC(=O)NCC#N)C2)CC1 1191008738 AGSVKYJTZQZZDZ-ZDUSSCGKSA-N 322.409 -0.024 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)CNC(=O)CCC)C1 1191456864 MXIADJPSWKILMJ-CHWSQXEVSA-N 313.398 -0.733 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(CCCCOC)C[C@H]1O 1192540768 TYKJJNYLACMWBC-NFAWXSAZSA-N 300.399 -0.099 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@H](C)NC(=O)c2ccoc2)C1 1193174948 WXVSIIUHZBBAJJ-IACUBPJLSA-N 319.361 -0.418 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@H]1CCN(C(=O)Cc2nc[nH]n2)C1 1193372274 BHMDPZFSWUAGSY-NEPJUHHUSA-N 318.381 -0.982 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)c2cc(OC)n(C)n2)C1 1194545969 UHWMDQUMZRCGJA-CHWSQXEVSA-N 324.381 -0.594 30 20 DBED C=CCOCC(=O)N1CCCN(CCN2C(=O)CCC2=O)CC1 1195283318 ALZBVLQJQWDOQM-UHFFFAOYSA-N 323.393 -0.128 30 20 DBED C=CCNC(=O)NC(=O)CNC1CCN(C(=O)C(F)F)CC1 1199033138 COYOEXZRWNXAFA-UHFFFAOYSA-N 318.324 -0.156 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)C[C@@H](C)NC(=O)C2CCCC2)C1 1199489673 LOKAITNTKLNNNS-BPLDGKMQSA-N 321.421 -0.134 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC(NCC(=O)NCC=C)CC1 1200495345 PWYGORWNMAJSJM-ZDUSSCGKSA-N 307.394 -0.093 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CCN(C(=O)[C@@H](C)OCC#C)CC1 1200540730 DPOOAQSVDMNRSV-ZIAGYGMSSA-N 319.405 -0.257 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCCO[C@H](CNCCO)C1 1200721226 JZHJHEGGWRCFPY-CABCVRRESA-N 309.410 -0.717 30 20 DBED C[C@@H]1CCN(C(=O)C(=O)N2CCCO[C@@H](CNCC#N)C2)C1 1201824192 RCTIVBGXCVCEQL-OLZOCXBDSA-N 308.382 -0.415 30 20 DBED C=CCNC[C@H]1CN(C(=O)CN2C(=O)CN(C)C2=O)CCCO1 1202012843 AVIAGEGQOXMBMQ-LBPRGKRZSA-N 324.381 -0.727 30 20 DBED C#CCCN[C@H]1C[C@H]2CC[C@H]1N(C(=O)CN1CCNC(=O)C1)C2 1204618484 DWGNWIHFCLLKSG-QLFBSQMISA-N 318.421 -0.589 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCC(CNCC(=O)NC)CC1 1205479818 YSWXCDIWOMDXCB-HNNXBMFYSA-N 320.437 -0.342 30 20 DBED C=CCCCN1C[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)[C@H](C)C1 1207578897 OBXQDSKSNQKDDW-GRYCIOLGSA-N 308.382 -0.013 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)Cc2ccn(C)n2)C1 1208008698 KNCDSBKUWIAELF-AWEZNQCLSA-N 319.409 -0.155 30 20 DBED CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H]1CN(CC#N)C[C@H]1C 1208482487 FCNUWJXGRNDKOB-DDTOSNHZSA-N 318.381 -0.583 30 20 DBED COCC#CCN1C[C@@H](NC(=O)CN2C(=O)CCC2=O)[C@H](C)C1 1210883480 QBPHQPHKMFRKPG-CHWSQXEVSA-N 321.377 -0.778 30 20 DBED C=C(Cl)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)CNC(=O)NC 1218075507 HICSJNSLVNRTQN-WDEREUQCSA-N 316.789 -0.421 30 20 DBED C=CCCC(=O)N[C@@H]1CN(C[C@@H]2CCS(=O)(=O)C2)C[C@@H]1O 1219344205 FBNNDXAUEIBASF-XQQFMLRXSA-N 316.423 -0.451 30 20 DBED C=CCC[C@@H](C)N1C[C@H](O)[C@H](NC(=O)CCn2cnnn2)C1 1220603122 AIMOKYIPOIBMLQ-UPJWGTAASA-N 308.386 -0.421 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)c2cc(Cl)no2)C1 1220819934 WLXNZKBRWBEVSL-ZJUUUORDSA-N 313.741 -0.247 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)CS(=O)(=O)C(C)C)C1 1220999887 ZAGGTBUDZCLEMS-NEPJUHHUSA-N 304.412 -0.453 30 20 DBED CCN(CCC#N)C(=O)CN1CC[C@@H]2CN(C(=O)COC)[C@@H]2C1 1221202452 BYMNODKHHXZGTM-ZIAGYGMSSA-N 322.409 -0.072 30 20 DBED C=CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3cnccn3)[C@@H]2C1 1221234834 VDDLIDCXXXMMFS-TZMCWYRMSA-N 315.377 -0.075 30 20 DBED C#CCO[C@@H](C)C(=O)NC1CCN(CC(=O)NC2CC2)CC1 1227342522 PEOIHPIJJMYXMJ-LBPRGKRZSA-N 307.394 -0.116 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCC(NC(=O)c2cnn(C)n2)CC1 1229609456 DAXVOEGWNYZZIS-LLVKDONJSA-N 320.397 -0.300 30 20 DBED COCC#CCN1CCC(NC(=O)c2c[nH]c(C(N)=O)c2)CC1 1230270878 VONVBVCGGCAGHV-UHFFFAOYSA-N 318.377 -0.042 30 20 DBED C=CCNC(=O)CN1CC[C@H]1CN(C)C(=O)c1cnsn1 1230876802 QAKQNMXRQGOPNW-JTQLQIEISA-N 309.395 -0.013 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)c1nccn1CC 1233915125 KEVQMXFWGQPGRE-ZDUSSCGKSA-N 317.393 -0.201 30 20 DBED Cc1nnc(S)n1N=Cc1nc2c(c(O)nc(=O)n2C)n1C 1317978797 KZPBXAXNFIEYFM-UHFFFAOYSA-N 320.338 -0.557 30 20 DBED N#CCCn1ccc(NC(=O)C(=O)N2CC[C@@](F)(CO)C2)n1 1322773326 KMXHYACSWULMFU-ZDUSSCGKSA-N 309.301 -0.332 30 20 DBED N#CCNC(=O)CNC(=O)C(=O)Nc1cccc2c1OCO2 1323054660 MXEBPQGVIVDOLJ-UHFFFAOYSA-N 304.262 -0.890 30 20 DBED C#CCCCCNC(=O)C(=O)NCCNC(=O)c1cc[nH]n1 1323748315 NHEOOMOJIYYHSE-UHFFFAOYSA-N 305.338 -0.825 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)NCc2cn3ccsc3n2)CCO1 1325423800 PNHNJPZIJSFCRM-SNVBAGLBSA-N 319.346 -0.237 30 20 DBED CC1(C)CN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)CC[C@H]1O 1326241576 SCYMIAQCNJKUGA-IAQYHMDHSA-N 309.366 -0.517 30 20 DBED C=CCN(C(=O)C[C@@H]1CCC(=O)N1)[C@@H]1CCS(=O)(=O)C1 1327802393 CSGSHVFRLGLMLH-WDEREUQCSA-N 300.380 -0.143 30 20 DBED C#CC[C@@H](CO)NC(=O)Cc1c(C)nc2nc(N)nn2c1C 1328635720 CLIMDCFHQNIBOT-JTQLQIEISA-N 302.338 -0.634 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCC[C@H]1C(=O)NC1CC1 1329098828 KPPZCSZEEZUWGF-LBPRGKRZSA-N 307.350 -0.978 30 20 DBED CCC(N)(CC)CNC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1330851507 WQLWLYMTCJQEMC-CYBMUJFWSA-N 321.425 -0.181 30 20 DBED CCOC[C@@H]1CN(C(=O)C(=O)Nc2cnn(CC#N)c2)CCO1 1335299591 XIHRCYAFHPXOSM-LBPRGKRZSA-N 321.337 -0.391 30 20 DBED C#CCN(CC#CC)c1nnc(CCCS(N)(=O)=O)n1C 1338338111 AOCODWUFEHFRSD-UHFFFAOYSA-N 309.395 -0.501 30 20 DBED CNC(=O)C[C@@H](C)NC(=O)C(=O)Nc1cc(C)c(C#N)cn1 1346456958 DKVOTVCJXIRXQF-SECBINFHSA-N 303.322 -0.159 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCC(C(=O)NCCC)CC1 1346544881 XBZMVGMCFPMDEM-UHFFFAOYSA-N 323.393 -0.483 30 20 DBED CCCN(CCO)C(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1351771174 ZFVADYPAVQZKGY-CYBMUJFWSA-N 308.382 -0.584 30 20 DBED C[C@H]1COCCCN1C(=O)CCn1cc(C#N)c(O)nc1=O 1362272402 QAUMUIRLSZEXNS-JTQLQIEISA-N 306.322 -0.152 30 20 DBED CCn1cc(C(=O)N(C)C[C@@H](O)CNC(=O)[C@@H](C)C#N)c(C)n1 1371012209 ZPLXJIUXHFMRIL-JQWIXIFHSA-N 321.381 -0.080 30 20 DBED CC(=O)NCC(=O)N[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 1372227042 MVYVMQUNRHPBRP-NSHDSACASA-N 303.322 -0.647 30 20 DBED COc1cc(C)cnc1C(=O)NC[C@H](O)CNC(=O)[C@H](C)C#N 1376641808 NTLHOITZBKRURB-GHMZBOCLSA-N 320.349 -0.235 30 20 DBED CNC(=O)NCCC(=O)NC[C@@H](C)NC(=O)c1cc(C#N)c[nH]1 1386253251 WBCIYVYTTMHVIJ-SECBINFHSA-N 320.353 -0.560 30 20 DBED CS(=O)(=O)CC(=O)NC[C@@H]1CCN1C(=O)c1ccc(C#N)[nH]1 1389627501 MVOVPWSJORMUGF-JTQLQIEISA-N 324.362 -0.738 30 20 DBED C[C@@H](CNC(=O)c1ccoc1CC(N)=O)CNC(=O)[C@H](C)C#N 1391331460 NTMFOQXBEURGFV-NXEZZACHSA-N 320.349 -0.051 30 20 DBED CS(=O)(=O)CCCN1CC(NC(=O)c2cc(C#N)c[nH]2)C1 1391409743 GAFIRRLDMFKKMJ-UHFFFAOYSA-N 310.379 -0.265 30 20 DBED C=C(Cl)CNC[C@@H](O)CN(C)C(=O)c1cnn(C)c1N 1394731327 CLAPZQIDLMVZBX-SECBINFHSA-N 301.778 -0.223 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]1CNC(=O)COCc1ccnn1C 1400451532 XAOQPKMGJMEIDZ-VXGBXAGGSA-N 319.365 -0.187 30 20 DBED CCN(CCC#N)C(=O)CN1CC(NC(=O)c2[nH]cnc2C)C1 1400478031 ZRSBPISCVRNHSR-UHFFFAOYSA-N 318.381 -0.106 30 20 DBED C[C@@H](C#N)C(=O)N1CC([C@H](C)NC(=O)CNC(=O)C2CC2)C1 1404638825 IVSKQLUKCIPYCB-UWVGGRQHSA-N 306.366 -0.365 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(CCN(C)C(=O)[C@H]2CCCO2)CC1 1408977923 UDPIMGPWVZURCC-UONOGXRCSA-N 322.409 -0.072 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@@H]1CCN(C(N)=O)C1 1414301084 IGUAOLPFFYYENA-QWRGUYRKSA-N 317.415 -0.297 30 20 DBED CN(CCNC(=O)[C@@H]1COCCO1)C(=O)c1c[nH]c(C#N)c1 1415457308 SCAOYSINXRCHPX-LBPRGKRZSA-N 306.322 -0.510 30 20 DBED CCCN(CCNC(=O)[C@H](C)C#N)C(=O)c1c[nH]c(=O)cn1 1415820873 IRHUPDMZPNYBFC-SNVBAGLBSA-N 305.338 -0.102 30 20 DBED C[C@@H](C#N)C(=O)N1CC(CNC(=O)CN2CCCCC2=O)C1 1416106479 YCBLGPILEBBQNP-NSHDSACASA-N 306.366 -0.267 30 20 DBED CCS(=O)(=O)CC(=O)N[C@@H](C)C1CN(C(=O)[C@H](C)C#N)C1 1427040100 XOOZQAGDWKCENW-ZJUUUORDSA-N 315.395 -0.456 30 20 DBED C[C@@H](C#N)C(=O)NCC1CN(C(=O)c2cn(C)c(=O)n2C)C1 1430434389 WZEXBEIGSUASCA-VIFPVBQESA-N 305.338 -0.928 30 20 DBED C[C@@H](C#N)C(=O)N(CCNC(=O)c1cn(C)c(=O)n1C)C1CC1 1431889423 OGKJEQUSYVQNIN-JTQLQIEISA-N 319.365 -0.396 30 20 DBED N#Cc1cn(CCC(=O)N2CC[C@@H](CCCO)C2)c(=O)nc1O 1434083679 HWSLPLKTHFWMOW-LLVKDONJSA-N 320.349 -0.168 30 20 DBED C=C(Cl)CNC1(CNC(=O)c2cn(CC(N)=O)nn2)CC1 1439674256 CPWYBTDMWFNMKA-UHFFFAOYSA-N 312.761 -0.632 30 20 DBED N#Cc1cn(CC(=O)N[C@H]2CC[C@H](CO)CC2)c(=O)nc1O 1446070451 BXJIAANTVHBOOW-HOMQSWHASA-N 306.322 -0.512 30 20 DBED N#Cc1ncn(CC(=O)N2CCS(=O)(=O)[C@@H]3CCC[C@H]32)n1 1449611396 YHBGUVVQVWQPHT-NXEZZACHSA-N 309.351 -0.672 30 20 DBED CC(C)S(=O)(=O)CC(=O)NCC1CN(C(=O)[C@H](C)C#N)C1 1450618368 VCHGAADVFKJGOO-SNVBAGLBSA-N 315.395 -0.456 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)CCc1cnn(C)c1 1458002056 FKACMRXQWMBSGX-PWSUYJOCSA-N 307.354 -0.894 30 20 DBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)N[C@H]1CCOC1=O 1471221847 VLLZZUFAFHPKIC-JTQLQIEISA-N 306.326 -0.247 30 20 DBED C[C@@H](C(=O)NC(=O)NC(C)(C)C)N1CC(NC(=O)[C@H](C)C#N)C1 1481551335 WQZXHOGPTPBDJT-ZJUUUORDSA-N 323.397 -0.041 30 20 DBED CNC(=O)[C@H]1CCC[C@@H]1Nc1cnc(-c2nn[nH]n2)c(C#N)n1 1579387046 SQTWYDXCWWIRJM-YUMQZZPRSA-N 313.325 -0.145 30 20 DBED C=CCOCCCn1nnnc1N1CCO[C@@H](CC(=O)O)C1 1588869154 VLIQOLZCFUICMF-NSHDSACASA-N 311.342 -0.054 30 20 DBED N#CCn1cc(NC(=O)C(=O)N2CCC[C@H]2CC(=O)O)cn1 1601079280 STEQSHHUFVFNKL-JTQLQIEISA-N 305.294 -0.189 30 20 DBED COCC#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@]1(C)CCNC1=O 1752569122 ZDSXNYZLWYBTAU-VBQJREDUSA-N 319.405 -0.162 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 1752583808 RMNXLKQBNBEIFM-HZSPNIEDSA-N 308.426 -0.038 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@H]1C[C@@H](NC(=O)Cn2cccn2)C1 1752714072 ZTFBXNVYPYCBKR-UPJWGTAASA-N 305.382 -0.189 30 20 DBED Cc1ccncc1C(=O)N[C@H]1C[C@@H](NCC(=O)NCC#N)C1 1752721759 HASBWNNOMQKTFT-TXEJJXNPSA-N 301.350 -0.120 30 20 DBED CCN(CC#CCOC)CCNC(=O)C[C@@H]1CCN(C)C1=O 1753084719 ARLFXGPVRCAQJR-AWEZNQCLSA-N 309.410 -0.057 30 20 DBED C#CCN1CC[C@H]1CNC(=O)CCCCCS(N)(=O)=O 1754504767 LXGGXGHGYSLYDI-LBPRGKRZSA-N 301.412 -0.341 30 20 DBED C=CCNC(=O)[C@H](C)NC1(CNC(=O)c2cn(C)nn2)CC1 1754513307 OLERBHVQOMZJCN-JTQLQIEISA-N 306.370 -0.642 30 20 DBED C=CCNC(=O)CN1CC(N(C)C(=O)c2n[nH]c(C)c2O)C1 1754573108 CHXXQZRPOJCEQC-UHFFFAOYSA-N 307.354 -0.518 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@]1(C)CCN(Cc2nnn(C)n2)C1 1754669639 DOSMVDMKROUTPP-FZMZJTMJSA-N 306.370 -0.671 30 20 DBED COCC#CCN1CC[C@](O)(CNC(=O)c2nccc(C)n2)C1 1754748441 IWGFSSTWHOFCBJ-INIZCTEOSA-N 318.377 -0.399 30 20 DBED C=CCN1CC[C@@](O)(CNC(=O)CCS(=O)(=O)N(C)C)C1 1754762465 QJYGLDXBBAQYHF-CYBMUJFWSA-N 319.427 -0.993 30 20 DBED COCC#CCN1CC(O)(CNC(=O)[C@H](OC)C2CCC2)C1 1754771023 JJYBLYHWAHUCCZ-CQSZACIVSA-N 310.394 -0.386 30 20 DBED C#CCNC(=O)CN[C@@H](C)[C@@H]1CCN(C(=O)CCCN(C)C)C1 1754799473 NFQWUFHDKBCUNJ-LSDHHAIUSA-N 322.453 -0.096 30 20 DBED C#CCN1CCC[C@](CO)(NC(=O)Cn2nnnc2C(C)C)C1 1754859546 ZJOJSFAOXXYRHY-HNNXBMFYSA-N 320.397 -0.627 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(CCO)CCNCc1cnon1 1754883374 HZNFEJDPIJONTD-AWEZNQCLSA-N 321.381 -0.922 30 20 DBED Cc1ncoc1C(=O)NC[C@H]1COCCN1CC(=O)NCC#N 1754965382 IZNODDKMHHTEAR-NSHDSACASA-N 321.337 -0.947 30 20 DBED COCC#CCN[C@]1(CO)CCCN(C(=O)c2cccnn2)C1 1755090084 FUSFGSJSZBVLBI-MRXNPFEDSA-N 318.377 -0.317 30 20 DBED C#CCN[C@H]1CN(C(=O)CS(=O)(=O)N(CC)CC)C[C@@H]1C 1755116578 QPSDHZSSCBNKDL-STQMWFEESA-N 315.439 -0.272 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC([C@H](C)NC(=O)c2cncnc2)C1 1755374043 NSLNWFVBACBRMJ-NWDGAFQWSA-N 315.377 -0.335 30 20 DBED COCC#CCN1CCCC2(C1)CN(C(=O)C1(C(N)=O)CC1)C2 1755456952 ILCCBWBBIDVZBW-UHFFFAOYSA-N 319.405 -0.174 30 20 DBED C=CCNC(=O)CN[C@@H]1C[C@@H](C)N(C(=O)c2cn(C)c(O)n2)C1 1755679915 ASVAMYCDWZPXMX-GHMZBOCLSA-N 321.381 -0.380 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CC2(CCN(C(=O)C(N)=O)CC2)CO1 1756241019 TZSQPBOPBJGWIT-MNOVXSKESA-N 322.365 -0.855 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@H](CO)NC(=O)Cc1[nH]cnc1C 1756516224 YAXSWLNDSQLVLK-ABAIWWIYSA-N 324.381 -0.819 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)[C@@H]2CCC(=O)N2)CCCO1 1756838768 AMZVSVAOCMDIHV-STQMWFEESA-N 323.393 -0.035 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1O 1757021767 BKPJZQGOFPINLF-MWLCHTKSSA-N 307.354 -0.671 30 20 DBED COCCn1c(C[C@@H](C)O)nnc1N1CCN(CCC#N)CC1 1772297279 YBEIMEADNDXKGV-CYBMUJFWSA-N 322.413 -0.117 30 20 DBED C[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc[nH]1 1794717528 YYZWPPJWOVJIGX-MWGHHZFTSA-N 324.406 -0.069 30 20 DBED C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(O)nc(O)n1)C2 1801598131 OALFKPFNWAHJHY-ILWJIGKKSA-N 316.317 -0.227 30 20 DBED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CC#N)CCO2 1834760154 HXGUTRQHHSWQBF-CQSZACIVSA-N 306.322 -0.730 30 20 DBED C#CCNC(=O)COC(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O 8276096 UQMLLXQRZUTHRF-PHIMTYICSA-N 304.302 -0.770 30 20 DBED CC(C)[C@](C)(C#N)NC(=O)Cn1c(=O)c(C#N)cn(C)c1=O 11263243 JAEUKMAELBDDTD-AWEZNQCLSA-N 303.322 -0.527 30 20 DBED CCN(C)C[C@@H]1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)C1 78584103 RPJDQZXNPGABFE-NSHDSACASA-N 305.382 -0.266 30 20 DBED COC(=O)CN(CC#N)CC(=O)NC1CCN(C(C)C)CC1 80871936 FOLKVUOVESZIMB-UHFFFAOYSA-N 310.398 -0.026 30 20 DBED N#Cc1ccsc1N1CC[C@@H](N2CCO[C@H](C(N)=O)C2)C1=O 83169868 QTIPOAAAAYPXML-MNOVXSKESA-N 320.374 -0.089 30 20 DBED CNC(=O)NC(=O)[C@@H](C)N(C)CCCc1n[nH]c(N)c1C#N 125484570 ROZYOCVEBFDYAD-MRVPVSSYSA-N 307.358 -0.428 30 20 DBED N#Cc1ccccc1OCCN1CCN2C(=O)C(=O)NC[C@H]2C1 152631902 UZCKRLSTRDTIOB-ZDUSSCGKSA-N 314.345 -0.420 30 20 DBED C=CCN1CCC(NC(=O)NCC(=O)N2CCOCC2)CC1 183594395 VQZYANPSEVCSDU-UHFFFAOYSA-N 310.398 -0.205 30 20 DBED C=CCN(CC(=O)O)C(=O)Cc1c(C)[nH]c2ccnn2c1=O 191275177 FYYPPZWHIBCQCO-UHFFFAOYSA-N 304.306 -0.027 30 20 DBED C#CCCCC(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 192122697 MBABUGOIPJUXAC-AWEZNQCLSA-N 307.394 -0.161 30 20 DBED CN(C[C@H](O)CN1CCOCC1)c1nccc(C#N)c1[N+](=O)[O-] 268470918 JJYYKBZWQZPBFK-LBPRGKRZSA-N 321.337 -0.009 30 20 DBED C#CCN(C(=O)NCCC(=O)N1CCN(C(C)=O)CC1)C1CC1 274117284 MLXKEZQMBHDCJW-UHFFFAOYSA-N 320.393 -0.126 30 20 DBED COCCN(CCO)C(=O)CNC(=O)c1ccc(C#N)cc1 274656783 MVGYMJYVSYYIBU-UHFFFAOYSA-N 305.334 -0.245 30 20 DBED C=C[C@H](CO)NS(=O)(=O)c1cccc(S(=O)(=O)NC)c1 290295721 WXFWRODZQBPREH-SECBINFHSA-N 320.392 -0.580 30 20 DBED Cn1nccc1N1CCC[C@H](NC(=O)Cn2cnc(C#N)n2)C1 333691717 JFPBUIWVYSNUIW-NSHDSACASA-N 314.353 -0.332 30 20 DBED CN(C1CCC(CO)CC1)S(=O)(=O)N1CCO[C@H](C#N)C1 336942506 KPIUKUCWHPPYIV-WXRRBKDZSA-N 317.411 -0.062 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)NC[C@H](O)COCC1CC1 337970897 JLAUFNXSHKVIDC-JQWIXIFHSA-N 305.400 -0.158 30 20 DBED C=CCCOCCNC(=O)C(=O)N[C@H]1CCC[C@H]1C(=O)NC 342002468 KEINUUOZWZTBKM-NEPJUHHUSA-N 311.382 -0.274 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(C)on2)C1=O 343747304 JIAIBMQEMJJSKT-SNVBAGLBSA-N 306.322 0.167 30 20 DBED CC(C)[C@H](CNC(=O)NCC(=O)NCC#N)N1CCOCC1 343890515 FPVBKQFSISCEHF-LBPRGKRZSA-N 311.386 -0.718 30 20 DBED N#Cc1ncn(CCNC(=O)NCCNC(=O)c2ccco2)n1 343957412 DDHTYSPVOHDIPV-UHFFFAOYSA-N 317.309 -0.528 30 20 DBED CC(=O)NC[C@H]1CN([C@H](C(N)=O)c2ccc(C#N)cc2)CCO1 344556077 NJKUCIYTPYHEDX-GJZGRUSLSA-N 316.361 -0.078 30 20 DBED CC[C@@](C)(C#N)C(=O)N1CCN(CC(=O)NCCOC)CC1 348668643 ZMZFAEMNLVYTNK-HNNXBMFYSA-N 310.398 -0.167 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N1C[C@@H]2[C@H](CCS2(=O)=O)C1 352643036 DKAQOWGDJQKYCT-GMTAPVOTSA-N 321.424 -0.416 30 20 DBED N#Cc1ccc(F)c(CNC(=O)NCCN2CCNC(=O)C2)c1 358449612 FVZYMIBUJDCCNI-UHFFFAOYSA-N 319.340 -0.072 30 20 DBED Cn1cc(N2CC[C@@H](NC(=O)N3CCO[C@H](C#N)C3)C2=O)cn1 408186492 UJNPQCQGZGOKGD-VXGBXAGGSA-N 318.337 -0.541 30 20 DBED N#Cc1ccccc1CSCCNC(=O)C(=O)NCCN 418926542 RPFUERORWOVQPZ-UHFFFAOYSA-N 306.391 -0.017 30 20 DBED C=CCNC(=O)NC(=O)CN1CCC2(CC1)CNC(=O)N2C 425552650 LAVZLUPJRMRABF-UHFFFAOYSA-N 309.370 -0.512 30 20 DBED N#Cc1ncn(CC(=O)N2CCS(=O)(=O)[C@H]3CCCC[C@H]32)n1 426875839 QCUQOKYKQQUHPL-MNOVXSKESA-N 323.378 -0.282 30 20 DBED C#CCNC(=O)C1CCN(C(=O)NC2CN(C(=O)OC)C2)CC1 491066990 FSHGHTVOGFIMKI-UHFFFAOYSA-N 322.365 -0.392 30 20 DBED COC(=O)c1cccc(CN2CCN(CC(N)=O)CC2)c1C#N 534472690 PISPWYIMLLCAGE-UHFFFAOYSA-N 316.361 -0.052 30 20 DBED C[C@@H](CCC#N)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 578631821 CDCGTDSDKCQMHL-NSHDSACASA-N 306.370 -0.359 30 20 DBED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N[C@@]2(C)CCNC2)n1 596127866 CGRLKKLKGXMTRA-HNNXBMFYSA-N 318.381 0.316 30 20 DBED N#CCCN1CCN(C(=O)C(=O)NCCCC2(O)CCC2)CC1 602284737 GQTZHENZZFBLSY-UHFFFAOYSA-N 322.409 -0.144 30 20 DBED C[C@@H](NC(=O)NC1CCN(CC#N)CC1)[C@@H]1CN(C)CCO1 610899419 OVTPUVKZSFHJCU-OCCSQVGLSA-N 309.414 -0.007 30 20 DBED N#Cc1ncccc1S(=O)(=O)N1[C@H]2CC[C@H]1CC(=O)NC2 617473417 QVNSBRIOQPKKBM-UWVGGRQHSA-N 306.347 -0.005 30 20 DBED CC#CC[C@H](CO)NS(=O)(=O)c1cnn(CCOC)c1 645883833 LPLDVLVDPVFXSL-LLVKDONJSA-N 301.368 -0.418 30 20 DBED C=CCN1CCC(NC(=O)c2cnn(C[C@@H](O)CO)c2)CC1 668369388 WMJNLFLKGVNSTB-CQSZACIVSA-N 308.382 -0.384 30 20 DBED CN1CC[C@@H](NC(=O)NCCNc2ncccc2C#N)C1=O 738506287 WCKPEMBMXFOFBD-LLVKDONJSA-N 302.338 -0.105 30 20 DBED C#CCNC(=O)COC(=O)c1cc(S(N)(=O)=O)cc(C)c1C 751837385 QUFVSQNAMVJXQO-UHFFFAOYSA-N 324.358 -0.143 30 20 DBED C#C[C@@H](NS(=O)(=O)c1cnn(CCOC)c1)[C@H]1CCCO1 773057161 PDEAFTVUFPSTIA-CHWSQXEVSA-N 313.379 -0.011 30 20 DBED C[C@@H]1OC(=O)N[C@@H]1C(=O)OCC(=O)N(CCC#N)CCC#N 786075689 ZQLPKGSSGNLVKY-ONGXEEELSA-N 308.294 -0.318 30 20 DBED N#CCNC(=O)COC(=O)CCOc1ccc(C(N)=O)cc1 786126555 QRBUNQDAAQORKB-UHFFFAOYSA-N 305.290 -0.263 30 20 DBED CNC(=O)[C@@H](O)CNC(=O)C(C)(C)Oc1ccc(C#N)cc1 788187263 YRDJQKYTEPYBJC-LBPRGKRZSA-N 305.334 -0.061 30 20 DBED COC(=O)COCC(=O)OCC(=O)NCc1cccc(C#N)c1 803802776 UXGTUDCSYCGGNL-UHFFFAOYSA-N 320.301 -0.093 30 20 DBED C#CC[C@H](CO)NC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCOCC1 816669936 HKXPATJNHOXLAZ-RBSFLKMASA-N 320.389 -0.072 30 20 DBED C#CCOCCNC(=O)C(=O)NCc1cccc(C(=O)O)c1 817111073 SLPMKAQCWYUJBT-UHFFFAOYSA-N 304.302 -0.233 30 20 DBED COC(=O)c1cc(S(=O)(=O)O[C@H]2CNOC2)cnc1C 845933099 SQXRKYJTUBUIIS-QMMMGPOBSA-N 302.308 -0.215 30 20 DBED C=CCN(CCOC)C(=O)C(=O)NCCN(C)C(=O)OC 850660598 MTNKNRVGRFEZQG-UHFFFAOYSA-N 301.343 -0.538 30 20 DBED C=CCNC(=O)COC(=O)c1ccc(NS(C)(=O)=O)nc1 859921739 CXEXGOARMSAHJP-UHFFFAOYSA-N 313.335 -0.088 30 20 DBED C#CC[C@H](CCOC)NC(=O)c1ccc(S(N)(=O)=O)nc1 863784541 NDZJZOGADLELON-LLVKDONJSA-N 311.363 -0.113 30 20 DBED C=C(Br)CNC(=O)C(=O)NCc1cnnn1CC 875478022 WESBEUZYNOTOBX-UHFFFAOYSA-N 316.159 -0.061 30 20 DBED CC1(C)CCN(CCNS(=O)(=O)N2CCO[C@H](C#N)C2)C1 908082465 DZMDAXOKGUUGQS-GFCCVEGCSA-N 316.427 -0.223 30 20 DBED C#CCN1CCC[C@H](NC(=O)CCC(=O)N2CCOCC2)C1 923593198 KSGXMGITNVOMPO-AWEZNQCLSA-N 307.394 -0.161 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCN(C(=O)c3cnon3)C2)nn1 937969139 DXQFMKXFTLJNIG-VIFPVBQESA-N 317.309 -0.508 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@H](NC(=O)c3cnon3)C2)[nH]1 938504728 LIPHDDJZTAMIAN-VIFPVBQESA-N 300.278 -0.086 30 20 DBED C=C(C)C(C)(C)C(=O)N1CC[C@@H](NC(=O)Cn2ncnn2)C1 940615590 GPCHJXMJUQSPGC-LLVKDONJSA-N 306.370 -0.008 30 20 DBED C[C@@H](C#N)C(=O)N1CCCN(C(=O)CN2CCOCC2)CC1 940796546 PHPGMAOATWWDMQ-ZDUSSCGKSA-N 308.382 -0.461 30 20 DBED O=C(N[C@@H]1CCN(C(=O)C#CC2CC2)C1)c1nc2ncccn2n1 942254658 GIYHVTRBTRAVJQ-GFCCVEGCSA-N 324.344 -0.132 30 20 DBED CO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1NC(=O)c1ncccn1 946245373 IJCRZGBCMRMMTR-GMTAPVOTSA-N 303.322 -0.408 30 20 DBED C[C@H]1C[C@H](NC(=O)c2nccnc2C(N)=O)CCN1CC#N 948016289 NVSZGDHKAAAEIZ-VHSXEESVSA-N 302.338 -0.318 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CNC(=O)[C@@H]2CNC(=O)N2)CC1 949387701 QYQFIAUZLOVSAS-ONGXEEELSA-N 307.354 -0.818 30 20 DBED C#CCN1CCOC2(CCN(C(=O)C[C@@H]3CCC(=O)N3)CC2)C1 949489370 ABDNTVAFQGCUSF-AWEZNQCLSA-N 319.405 -0.018 30 20 DBED N#Cc1cc(C(=O)NC[C@H]2CCN2C(=O)[C@@H]2COC(=O)N2)c[nH]1 949490427 AGAOIOJQFTYSAP-MNOVXSKESA-N 317.305 -0.675 30 20 DBED CC#CCN1CCN(C(=O)[C@@H]2CCc3nnnn3CC2)CC1 950618208 VASAKLRTNZZEFJ-CYBMUJFWSA-N 302.382 -0.207 30 20 DBED C[C@@]1(NC(=O)[C@H]2COC(=O)N2)CCN(C(=O)C#CC2CC2)C1 956880613 SNYFZNYXJKPUQJ-IAQYHMDHSA-N 305.334 -0.385 30 20 DBED C#CCCN1C[C@@H](O)[C@H](CNC(=O)c2cc(OC)n(C)n2)C1 958244148 OWKMTQLXTRFCLL-DGCLKSJQSA-N 306.366 -0.526 30 20 DBED CC#CCN1C[C@@H](O)[C@H](CNC(=O)c2cc(C(N)=O)co2)C1 958403558 HLLRMVAICLVXLR-VXGBXAGGSA-N 305.334 -0.576 30 20 DBED Cn1cc(CN2C[C@@H]3C(NC(=O)c4cc(C#N)c[nH]4)[C@H]3C2)nn1 958500900 UZXDYNBIFRGAJE-RYUDHWBXSA-N 311.349 -0.125 30 20 DBED C#CCCN1C[C@@H](O)[C@@H](CNC(=O)c2cnn3cc[nH]c23)C1 958618128 IREXMSRALVRBGZ-WCQYABFASA-N 301.350 -0.292 30 20 DBED C[C@@H](NC(=O)c1ccc(C#N)[nH]1)[C@H]1CCN(C(=O)C(N)=O)C1 959259230 ZXHODQBMEKJYNE-BDAKNGLRSA-N 303.322 -0.662 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H]2CN(C(=O)CN3CCCC3)C[C@@H]21 960874281 KGBCZPJINPDWBZ-HZSPNIEDSA-N 320.393 -0.320 30 20 DBED C=C(C)CN1C[C@@H]2C(NC(=O)CN3C(=O)C(=O)N(C)C3=O)[C@H]2C1 961942041 XEMBODPMGVINPI-UWVGGRQHSA-N 320.349 -0.971 30 20 DBED CC#CCN1C[C@H]2[C@H](NC(=O)c3cn(C)c(=O)nc3O)[C@H]2C1 962538842 YKVYVXOMQIJOSJ-IAZYJMLFSA-N 302.334 -0.831 30 20 DBED Cc1c[nH]c(C(=O)NC[C@@H]2COCCN2C(=O)[C@H](C)C#N)n1 964198607 MPNOHKQVSWYFHY-MWLCHTKSSA-N 305.338 -0.165 30 20 DBED O=C(NC[C@@H]1COCCN1C(=O)C#CC1CC1)c1n[nH]cc1F 964348910 ILMAWQPJVRYYDP-LLVKDONJSA-N 320.324 -0.081 30 20 DBED C#CCNC1CCC(N(C)C(=O)[C@H]2CCS(=O)(=O)N2)CC1 964406448 OAYLIXGPOHTINR-WXRRBKDZSA-N 313.423 -0.330 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@]2(CN(Cc3cnn(C)n3)CCO2)C1 972298126 QICFWMSEYBFVGW-SWLSCSKDSA-N 318.381 -0.222 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)[C@]3(C)CCNC3=O)C2)C1 972549652 PNBFTWVGQSNMJS-CVEARBPZSA-N 305.378 -0.551 30 20 DBED N#Cc1cc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3COCCO3)C2)c[nH]1 973897352 LDJSZWQEEVFQAE-LOWVWBTDSA-N 318.333 -0.321 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)c3cnnc(O)c3)[C@H]2C1 976673948 ANVWMTMNLCKGKC-QAHWYCSRSA-N 301.306 -0.472 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)c3ccn(C)c(=O)c3)[C@H]2C1 976794891 DKDNJWBGXQGDOU-PQFRYHKHSA-N 314.345 -0.268 30 20 DBED CN1CCO[C@@H](C(=O)N(C)C[C@@H]2CCN2C(=O)C#CC2CC2)C1 977530926 ZIANXXSHMSFXRG-LSDHHAIUSA-N 319.405 -0.210 30 20 DBED CN1C(=O)CN(CC(=O)N2CC3(CCCN(CC#N)C3)C2)C1=O 982113924 SAOQMNNHYVBXQU-UHFFFAOYSA-N 319.365 -0.672 30 20 DBED C[C@@H]1C[C@H](NCC#N)CN1C(=O)c1coc(S(N)(=O)=O)c1 989058744 WUUVXUVLJHGDID-SCZZXKLOSA-N 312.351 -0.357 30 20 DBED C[C@@H]1[C@@H](NC(=O)[C@H]2CCNC2=O)CCN1C(=O)C#CC1CC1 989242575 GDIHHBYUINWZSJ-WXHSDQCUSA-N 303.362 -0.359 30 20 DBED C=CCN[C@@H]1CCC[C@H]2CN(C(=O)Cn3ncn(C)c3=O)C[C@@H]21 992746428 WSKFBBUGMLBMLA-MELADBBJSA-N 319.409 -0.016 30 20 DBED N#CCN1CC=C(CNC(=O)c2nccnc2C(N)=O)CC1 1001429358 AIEBMTKRAXUDBR-UHFFFAOYSA-N 300.322 -0.539 30 20 DBED CC(C)(C(N)=O)C(=O)N1CC(CNC(=O)c2ccc(C#N)[nH]2)C1 1001481747 DJHQHFAFPFLWQO-UHFFFAOYSA-N 317.349 -0.414 30 20 DBED N#CCN1CCC[C@@H](NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 1007322501 VOTSCARSJIOTBB-VXGBXAGGSA-N 316.365 -0.133 30 20 DBED C#CCCN1CCC[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 1008733969 CFDPINLEQFADPA-GFCCVEGCSA-N 318.377 -0.699 30 20 DBED C[C@@H]1[C@H](NC(=O)Cn2cncn2)CCN1C(=O)C#CC1CC1 1011742489 OPRSFFKQBYEQJG-DGCLKSJQSA-N 301.350 -0.203 30 20 DBED N#CCN[C@H]1CCN(C(=O)c2cn(C[C@H]3CCOC3)nn2)C1 1019577747 GIUDPZDRTDNOFH-NEPJUHHUSA-N 304.354 -0.358 30 20 DBED Cc1ccc(=O)n(CC(=O)N2CCC[C@H](N(C)CC#N)C2)n1 1027655648 ZKFKOCOWGVZLLR-ZDUSSCGKSA-N 303.366 -0.002 30 20 DBED CN(CC#N)[C@H]1CCCN(C(=O)CN2C(=O)NC(C)(C)C2=O)C1 1027671770 ZDKONHSEDRTOHZ-NSHDSACASA-N 321.381 -0.237 30 20 DBED C#CCN1CCC(C(=O)NC[C@@H]2CCCN2CC(=O)NC)CC1 1028333222 GOEZAYUGXCYECB-HNNXBMFYSA-N 320.437 -0.342 30 20 DBED CC#CCN1CC[C@@H](CNC(=O)[C@@H]2COCCN2C(C)=O)C1 1028994418 SBECNTYDNRMBLN-GJZGRUSLSA-N 307.394 -0.305 30 20 DBED C=CCN1C[C@@H]2C[C@H]1CN2C(=O)C1(n2cnnn2)CCOCC1 1032678404 VEFUIEQVIUAGDS-STQMWFEESA-N 318.381 -0.350 30 20 DBED C#CCCN1CCO[C@H](CNC(=O)c2ncc(OC)cn2)C1 1035439331 WXASRDSRRNEEPS-CYBMUJFWSA-N 304.350 -0.061 30 20 DBED CC#CCN1CCO[C@@H](CNC(=O)c2cc(C(N)=O)co2)C1 1035506893 YXHRXRPHFXIXAW-LBPRGKRZSA-N 305.334 -0.168 30 20 DBED O=C1NC[C@@H](C(=O)NC[C@H]2CCN2CC#Cc2ccccc2)N1 1038654055 GKCJFKIPAAKKPN-CABCVRRESA-N 312.373 -0.090 30 20 DBED C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC(=O)NC(=O)N1 1039444476 GFXLIMAZYNQCNJ-WOPDTQHZSA-N 304.350 -0.717 30 20 DBED C=CCCC(=O)N1CC[C@@](O)(CNC(=O)Cc2n[nH]c(C)n2)C1 1039691923 LLHCRRUFBOAWTG-OAHLLOKOSA-N 321.381 -0.299 30 20 DBED C[C@@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)c2ccsn2)C1 1040767559 ZABNEEWPALMAKB-TVQRCGJNSA-N 308.363 -0.004 30 20 DBED Cc1nonc1C(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1O 1041078725 ICCXKJLSQKNXRS-NXEZZACHSA-N 315.293 -0.981 30 20 DBED Cc1nonc1C(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1O 1041079190 YMULGMBPNGRWQX-GHMZBOCLSA-N 314.305 -0.376 30 20 DBED N#CCN1CC[C@@]2(CCN(C(=O)C3CC(=O)NC(=O)C3)C2)C1 1041740429 URULGBIBJFFEEM-OAHLLOKOSA-N 304.350 -0.513 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)c2ncccc2O)C1 1042039702 HYMLZLCCATXHSL-UHFFFAOYSA-N 321.333 -0.707 30 20 DBED C=C(C)CCC(=O)N1CC(O)(CNC(=O)Cc2cc[nH]n2)C1 1042270155 RQPJPELCPMFXKC-UHFFFAOYSA-N 306.366 -0.002 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)/C(C)=C\C)C1 1042449379 CKNVDIKNXJAHJX-UUSOHVMFSA-N 319.405 -0.260 30 20 DBED Cc1cn(C)nc1C(=O)NCC1(O)CN(C(=O)[C@H](C)C#N)C1 1042983717 PGXFWLBJDKSHSO-SECBINFHSA-N 305.338 -0.809 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)C#CC(C)(C)C)C1 1043039592 HZLCJYKNTZNNGG-ZDUSSCGKSA-N 320.389 -0.236 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)CN2CCCC2)C1 1043123645 GTDZBGWEOBYPAN-UHFFFAOYSA-N 307.394 -0.569 30 20 DBED C=CCC1(C(=O)NCC2(O)CN(C(=O)C(N)=O)C2)CCCC1 1043823282 QCFLFLLDHDMOPF-UHFFFAOYSA-N 309.366 -0.702 30 20 DBED C=CCCN1CC(N(C)C(=O)c2cn(CC(=O)N(C)C)nn2)C1 1044336910 XCZUHOSNLSDNFU-UHFFFAOYSA-N 320.397 -0.301 30 20 DBED C=CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)c2ccncn2)C1 1045174700 XMYAGAFFXBCXFV-LLVKDONJSA-N 320.349 -0.629 30 20 DBED Cc1nc(C)c(C(=O)N2CC(O)(CNC(=O)[C@@H](C)C#N)C2)[nH]1 1045554378 DOLGHDMUNCQKHT-QMMMGPOBSA-N 305.338 -0.511 30 20 DBED Cn1nncc1C(=O)NC[C@H]1CC2(CCN(CC#N)CC2)CO1 1045670116 ODJVUVWUYBQDBA-GFCCVEGCSA-N 318.381 -0.060 30 20 DBED C=CCN1CC[C@@H](N2CCN(C(=O)[C@H]3CNC(=O)N3)CC2)C1 1046058965 WPGQOXDLXCYBIC-CHWSQXEVSA-N 307.398 -0.928 30 20 DBED N#CCN1CC[C@@H](N2CCN(C(=O)c3ccnnc3)CC2)C1 1046067553 OVMLWVWMKHLXCL-CQSZACIVSA-N 300.366 -0.168 30 20 DBED CCNC(=O)CCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)C#N)C1 1049389293 WSPJGOIXPDWDGI-SRVKXCTJSA-N 324.381 -0.908 30 20 DBED C#CCCN1C[C@@H]2CCCN(C(=O)CN3CCOCC3=O)[C@@H]2C1 1050063375 IYJCZCCIGMVYII-LSDHHAIUSA-N 319.405 -0.209 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H](CNCc2ccn(C)c(=O)c2)C1 1051494504 IWIAZRIGGMXBOC-JSGCOSHPSA-N 318.377 -0.138 30 20 DBED N#Cc1ccccc1CNC[C@@H]1CN(C(=O)CC(N)=O)CCO1 1051505810 SPXSZJLYCFIWNO-CQSZACIVSA-N 316.361 -0.249 30 20 DBED CN1CC[C@@H](C(=O)N2CC[C@@H](N3CCN(CC#N)CC3)C2)C1=O 1052065955 QAFMSHCPLCSKHU-ZIAGYGMSSA-N 319.409 -0.793 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)c3cncnc3O)CO2)C1 1053838633 HXVHKYUWASDHAZ-NSHDSACASA-N 302.334 -0.221 30 20 DBED C[C@H]1CN(C(=O)c2coc(S(N)(=O)=O)c2)C[C@H]1NCC#N 1054815627 IFPKVVUIVBILMI-WCBMZHEXSA-N 312.351 -0.499 30 20 DBED C=CCCC(=O)N1CCC[C@](CO)(NC(=O)CC(=O)NC)C1 1055902207 NYSVCGLPTUHYGQ-HNNXBMFYSA-N 311.382 -0.442 30 20 DBED O=C(C#CC1CC1)N[C@@]1(CO)CCCN(C(=O)c2cnn[nH]2)C1 1055939500 ARCZNRFTFUPHIJ-HNNXBMFYSA-N 317.349 -0.699 30 20 DBED Cc1cc(CC(=O)N(CCO)CCNC(=O)C#CC2CC2)no1 1057230650 PPAFPNUWAWZPCC-UHFFFAOYSA-N 319.361 -0.124 30 20 DBED C=C[C@](C)(O)CC(=O)NCCN(CCO)C(=O)c1cn(C)cn1 1057345057 LJRDHTGSDPEEOY-HNNXBMFYSA-N 324.381 -0.702 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)c1cnsn1 1057439658 VSZDVYGMVUPDIC-UHFFFAOYSA-N 310.379 -0.108 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)[C@H]1CCC(=O)N1C 1057525394 QXUMNDBMVYTDQU-CYBMUJFWSA-N 323.393 -0.796 30 20 DBED CN1CCC[C@H]1C(=O)NCCN(CCO)C(=O)C#CC1CC1 1057531067 DIFAJCPLSJASNM-AWEZNQCLSA-N 307.394 -0.569 30 20 DBED C#CCOCCC(=O)N(CCO)CCNC(=O)COC(C)C 1057581849 XROALBVUJJSFSS-UHFFFAOYSA-N 314.382 -0.612 30 20 DBED C=C[C@@H](CC)CC(=O)NCCN(CCO)C(=O)c1cnn(C)n1 1058095770 VEJPLXFRYOPNCI-LBPRGKRZSA-N 323.397 -0.032 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)c1coc(C(N)=O)c1 1058145067 JLDHHJLKWBGOTF-SECBINFHSA-N 322.321 -0.911 30 20 DBED N#Cc1ccc(N2CC[C@H](NC(=O)Cn3ccccc3=O)C2)nn1 1058367831 ZOMSJQCTNCVDRK-ZDUSSCGKSA-N 324.344 -0.095 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)C1CCC(O)CC1 1058652871 HDFMLBNKGGRHJV-HIFPTAJRSA-N 311.382 -0.366 30 20 DBED C#CCNC(=O)CC(=O)NCCN(CCO)C(=O)C[C@H]1C[C@@H]1C 1058720083 PXRSLCOXXUDXCW-QWHCGFSZSA-N 323.393 -0.891 30 20 DBED C=CCCOCC(=O)N1CCOC[C@H]1CNC(=O)COCC 1061245538 OMOGHRMKCGDLFY-CYBMUJFWSA-N 314.382 -0.041 30 20 DBED C=CCCC(=O)NC[C@H]1COCCN1C(=O)[C@H]1CCN(C)C1=O 1061402035 QOULHCOXJMPNAK-STQMWFEESA-N 323.393 -0.226 30 20 DBED C=CCCC(=O)NC[C@H]1COCCN1C(=O)c1nccnc1N 1061406131 HDRRSPJPBUMLME-NSHDSACASA-N 319.365 -0.018 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@H]1COCCN1C(=O)c1cn[nH]c1 1061543888 WUDAYIWMJVOQHQ-DOMZBBRYSA-N 322.365 -0.306 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)Cc1ccn(C)n1 1061576303 JYMMOBBRAAYIBX-AAEUAGOBSA-N 319.365 -0.534 30 20 DBED NC(=O)NCCC(=O)NC[C@H]1CCCCN1C(=O)C#CC1CC1 1062201723 GLQUPASTWRWIID-CYBMUJFWSA-N 320.393 -0.045 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCCC[C@@H]1CNC(=O)CNC(N)=O 1062211455 QHGNQIPRNNFXDZ-NWDGAFQWSA-N 324.381 -0.810 30 20 DBED C#CCNC(=O)CC(=O)NCC1(NC(=O)[C@H](C)OC)CCC1 1062829712 XLVNGVYNGIUZLN-NSHDSACASA-N 309.366 -0.684 30 20 DBED N#Cc1c[nH]ccc1=NCCC1CCN(C(=O)C(N)=O)CC1 1063335113 UJXXIHCMOVNZET-UHFFFAOYSA-N 301.350 -0.099 30 20 DBED N#Cc1nccnc1N1CCO[C@H](CNC(=O)c2cc[nH]n2)C1 1063610065 CEYWCDNONNRCJF-SNVBAGLBSA-N 313.321 -0.293 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)[C@H]2CCN(C)C2=O)CCC1 1064086789 ROPMULNDZOMPMD-WDEREUQCSA-N 306.366 -0.221 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(C(=O)Cn2nccn2)CCO1 1065196167 VSSOBINTYLOWGV-ZDUSSCGKSA-N 317.349 -0.965 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)CCO1 1065400662 FXHHOWDTGUZUDP-OLZOCXBDSA-N 319.361 -0.978 30 20 DBED CN(C(=O)c1nc[nH]n1)[C@H]1CN(c2ccncc2C#N)C[C@@H]1O 1065600215 ZDMFAJJWYVFNBJ-RYUDHWBXSA-N 313.321 -0.607 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CCCN(C(=O)Cn2nccn2)CC1 1066479049 OZXXBWBNAWWIIN-NEPJUHHUSA-N 304.354 -0.065 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H](CN=c2cc[nH]c(C#N)n2)C1 1066601916 IEHUFCGWOXQYMM-MNOVXSKESA-N 300.322 -0.431 30 20 DBED CN(CCCN(C)C(=O)[C@@H]1CCNC1=O)C(=O)C#CC1CC1 1067381039 ZTMVAVHXHUBLFA-CYBMUJFWSA-N 305.378 -0.157 30 20 DBED C#CCOCCC(=O)N(C)CCCN(C)C(=O)c1nnn(C)n1 1067426859 AMBOZDDLZSBTAD-UHFFFAOYSA-N 322.369 -0.830 30 20 DBED N#Cc1nccc(N2C[C@H](CNC(=O)c3cc[nH]n3)[C@@H](O)C2)n1 1067651477 MESNGGNIZLGEOO-ONGXEEELSA-N 313.321 -0.702 30 20 DBED N#Cc1cnccc1N1C[C@H](CNC(=O)c2cncnc2)[C@@H](O)C1 1067665276 LWCRIQGQMOTABT-ZFWWWQNUSA-N 324.344 -0.030 30 20 DBED Cn1nnc(C(=O)NC2CC(CNc3nccnc3C#N)C2)n1 1067879194 YRPHYUURBWCJGK-UHFFFAOYSA-N 313.325 -0.508 30 20 DBED CCc1nc(C#N)cc(N2CC[C@H](C)[C@H](NC(=O)C(N)=O)C2)n1 1067990207 QBXUQXQTPIYHTC-GXSJLCMTSA-N 316.365 -0.273 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1COC2(C1)CN(C(=O)CCCN(C)C)C2 1069007852 LJOGZVHSYBVBLM-CHWSQXEVSA-N 322.409 -0.026 30 20 DBED C=CCN[C@@H]1CN(C(=O)[C@@H](C)n2cncn2)C[C@@H]1n1ccnn1 1070180001 WTCKBOUMCGKZOJ-UPJWGTAASA-N 316.369 -0.342 30 20 DBED CC(C)C#CC(=O)N1C[C@H](C)[C@H](NC(=O)Cn2cncn2)C1 1072049078 QJLSFYCOZPFRPH-QWHCGFSZSA-N 303.366 -0.099 30 20 DBED C=CCN1CC[C@H](N[C@H]2CCN(C(=O)c3cnn[nH]3)[C@H]2C)C1=O 1074724250 BVCQBRDIUHPFLR-SRVKXCTJSA-N 318.381 -0.216 30 20 DBED CN1CC[C@@H](C(=O)N2CC[C@H]3CN(CC#N)C[C@H]32)S1(=O)=O 1076349949 XOTOBCDAYPMQME-TUAOUCFPSA-N 312.395 -0.923 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)Cc2c(C)nn(C)c2C)C1 1077472678 LYQYYSYRMDHJDS-HUUCEWRRSA-N 304.394 -0.236 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC(=O)N(CCC)C2)C1 1077756788 JLHVXFVYNMTCEC-MGPQQGTHSA-N 307.394 -0.571 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2cc(C)nc3c2cnn3C)C1 1077904185 NJOOMSJFTDQWIW-ZIAGYGMSSA-N 313.361 -0.315 30 20 DBED C[C@@H](CCNC(=O)COc1cnn(C)c1)NC(=O)[C@@H](C)C#N 1078067316 LNVNJYQJUWTIIV-QWRGUYRKSA-N 307.354 -0.030 30 20 DBED N#Cc1cccc(CNC[C@H]2CN(C(=O)C(N)=O)CCCO2)c1 1078456784 HEBQMAFOHIHSRN-AWEZNQCLSA-N 316.361 -0.249 30 20 DBED C=CCOCC(=O)N(CC)C1CN(C(=O)c2c[nH]c(=O)cn2)C1 1079491647 PKXRNCOYXHLVFE-UHFFFAOYSA-N 320.349 -0.355 30 20 DBED CCN(C(=O)CN1CCOCC1)C1CN(C(=O)C#CC2CC2)C1 1079631790 XLGRULITFZELQX-UHFFFAOYSA-N 319.405 -0.209 30 20 DBED C#CCOCCC(=O)N1CC(N(CC)C(=O)[C@@H]2COC(=O)N2)C1 1079702196 XVNCOJFHLIIMPV-LBPRGKRZSA-N 323.349 -0.806 30 20 DBED C=CCO[C@H](C)C(=O)N1CC(N(CC)C(=O)[C@@H]2CNC(=O)N2)C1 1080386504 NWQVNIJUKMVCFT-PWSUYJOCSA-N 324.381 -0.682 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)CNC(=O)C2CC2)C[C@H]1O 1081333339 RRFCSKNYMJZZPO-QWHCGFSZSA-N 323.393 -0.586 30 20 DBED C=CCOCCCC(=O)NC[C@H]1CN(C(=O)COC)C[C@@H]1O 1081376754 MYVNUHOVRMXYTM-STQMWFEESA-N 314.382 -0.449 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(C(=O)C2CC=CC2)C[C@H]1O 1081488118 DFXRDMHVTFHVCE-HUUCEWRRSA-N 320.389 -0.072 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1ccnc2c1CC(=O)N2 1081894863 FWHINLLNAZIVKO-VXGBXAGGSA-N 315.333 -0.471 30 20 DBED C=CCN1C[C@@H](NC(=O)C2CCS(=O)(=O)CC2)[C@H](OC)C1 1082196018 ZBCYHPXSOCVYEN-CHWSQXEVSA-N 316.423 -0.187 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)C[C@H]1CCCCC(=O)N1 1083259194 PXVUSTDBXFZYBA-HZSPNIEDSA-N 320.393 -0.130 30 20 DBED C=CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CCN(C(C)=O)C1 1083260490 DFAKUQFRMYKRFD-SOUVJXGZSA-N 307.394 -0.048 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)C[C@H]2CCNC2=O)C1 1083519872 MUIQKPIQUNSHFX-MXWKQRLJSA-N 301.774 -0.574 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2c[nH]nc2[C@@H]2CCCO2)C1 1083721480 FKFFLYYQKFDNQC-AGIUHOORSA-N 304.350 -0.331 30 20 DBED C#CCN1CC[C@@H](NC(=O)Cc2cn(C)nc2Cl)[C@@H](O)C1 1090568679 HTICADXKXUDPQO-NEPJUHHUSA-N 310.785 -0.199 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cnc(O)cc2OC)[C@@H](O)C1 1090582452 APCRFHJMKCBPAS-RYUDHWBXSA-N 305.334 -0.406 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2CCN(CCCO)C[C@H]2O)nc1 1090736280 HTIKZRUMARPJDK-DZGCQCFKSA-N 303.362 -0.390 30 20 DBED COCc1ncc(C(=O)N[C@@H]2CCN(CC#N)C[C@@H]2O)s1 1090842378 ZEJVJIQHJJNLGS-ZJUUUORDSA-N 310.379 -0.022 30 20 DBED COCCN1C[C@@H](C(=O)NCC2CC(NCC#N)C2)CC1=O 1091057611 VCRZRZWRCAVOFK-CPCZMJQVSA-N 308.382 -0.511 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1C[C@@H](Nc2nccn3nnnc23)C1 1091323583 JLKSOXOFCSJKDA-LPEHRKFASA-N 300.326 -0.014 30 20 DBED CN(C)C(=O)CC(=O)NCC1CC(N=c2cc[nH]c(C#N)n2)C1 1092266897 SCQCKMHXNZNGCI-UHFFFAOYSA-N 316.365 -0.445 30 20 DBED C[C@H](NC(N)=O)C(=O)N1CCN(c2ccc(C#N)nn2)CC1 1093145228 MYDNIGVPTBFSKS-VIFPVBQESA-N 303.326 -0.946 30 20 DBED N#Cc1cncc(NCCNC(=O)[C@H]2CCCCC(=O)N2)n1 1094113443 ULGNPVZAWXEMHW-LLVKDONJSA-N 302.338 -0.065 30 20 DBED CC(C)C(=O)N(C)CC(=O)NCCNc1cncc(C#N)n1 1094187577 CQFCWFZXCPXDIN-UHFFFAOYSA-N 304.354 -0.009 30 20 DBED C#CCN1CCN(C(=O)c2[nH]cnc2C)[C@@H]2CS(=O)(=O)C[C@@H]21 1094686495 UUJYXDKDVKVLJU-NWDGAFQWSA-N 322.390 -0.725 30 20 DBED CC[C@]1(C(=O)NCCCN=c2cc[nH]c(C#N)n2)CCNC1=O 1094863962 CHYCZIUUSFUUEQ-OAHLLOKOSA-N 316.365 -0.395 30 20 DBED CCn1cc(CC(=O)NCCCN=c2cc[nH]c(C#N)n2)nn1 1094913583 HPDTZCZPBBRUMK-UHFFFAOYSA-N 314.353 -0.458 30 20 DBED CCN(CCCNC(=O)Cn1cnnn1)c1cnc(C#N)cn1 1095835097 BHNMHLWOPHAWNK-UHFFFAOYSA-N 315.341 -0.632 30 20 DBED N#Cc1cnc(N2CCN(CCNC(=O)C#CC3CC3)CC2)cn1 1096282459 NMKIPDHCVBPNLX-UHFFFAOYSA-N 324.388 0.000 30 20 DBED N#Cc1cnc(N2CCC[C@@H](CNC(=O)C(N)=O)C2)c(F)c1 1097339295 MATACEOEGUGARX-VIFPVBQESA-N 305.313 -0.090 30 20 DBED N#Cc1nccnc1NC1CCC(NC(=O)CNC(N)=O)CC1 1097611876 DZGJDWVKCVSNDQ-UHFFFAOYSA-N 317.353 -0.144 30 20 DBED C[C@H](NC(N)=O)C(=O)N1CC[C@H](CNc2nccnc2C#N)C1 1098521802 MOBLGQVIJDLPLN-VHSXEESVSA-N 317.353 -0.335 30 20 DBED C#CCNCc1cn([C@@H]2CCN(C(=O)c3n[nH]cc3F)C2)nn1 1098721410 GUIRRMIWRHHUJK-LLVKDONJSA-N 317.328 -0.050 30 20 DBED C=C(Br)CN1CC[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 1099743186 FXZZGOHMEQXGGE-BDAKNGLRSA-N 320.187 -0.678 30 20 DBED CC(C)(CN1CCOCC1)C(=O)N[C@@H]1CCN(CC#N)C[C@@H]1O 1099892910 RHRJAAHHIWQXFH-KGLIPLIRSA-N 324.425 -0.580 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)c2ccn(C)n2)[C@H](O)C1 1100110484 WOCIUBOYHDVWGU-GXTWGEPZSA-N 308.382 -0.212 30 20 DBED CCN(CCNC(=O)[C@]1(C)CCC(=O)N1)c1cnc(C#N)cn1 1100710003 YNHXRVVJXNRNAJ-HNNXBMFYSA-N 316.365 -0.041 30 20 DBED CN(CCNc1cnc(C#N)cn1)C(=O)[C@H]1COCCN1C 1101564103 FHCXPVVFKNEYBF-GFCCVEGCSA-N 304.354 -0.451 30 20 DBED CN(CCNc1nccnc1C#N)C(=O)[C@@]1(C)CCNC1=O 1101959102 FKMIWZARYPRYCH-AWEZNQCLSA-N 302.338 -0.255 30 20 DBED CC[C@H](CNC(=O)[C@H](C)n1cncn1)N=c1cc[nH]c(C#N)n1 1103034734 NHMQKPDMKAOUGE-WDEREUQCSA-N 314.353 -0.070 30 20 DBED CC[C@H](CNC(=O)[C@@H]1CCC(=O)N1)N=c1cc[nH]c(C#N)n1 1103144172 QLAPHBJWQPPFEW-ZJUUUORDSA-N 302.338 -0.645 30 20 DBED CC[C@@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)Nc1ccc(C#N)nn1 1103261807 UBUFTADWRKIFHR-ONGXEEELSA-N 317.353 -0.321 30 20 DBED C[C@@H](CNC(=O)[C@@H]1COC(=O)N1)CNc1cnc(C#N)cn1 1103943504 KYGGQMRFDNOCHI-SCZZXKLOSA-N 304.310 -0.379 30 20 DBED Cc1cc(N2CCO[C@@H](CNC(=O)CC(N)=O)C2)c(C#N)cn1 1104305114 HYSJSQAPTWGOES-LBPRGKRZSA-N 317.349 -0.542 30 20 DBED CC(C)[C@H](CNC(=O)[C@H](C)NC(N)=O)N=c1cc[nH]c(C#N)n1 1105178333 WDOFHRQEHOPHRU-UWVGGRQHSA-N 319.369 -0.620 30 20 DBED C#CCCNCc1cn(C2CN(C(=O)[C@@H]3CCN(C)C3)C2)nn1 1105372366 BTRLOYSFXDQWFI-CYBMUJFWSA-N 316.409 -0.274 30 20 DBED CC(=O)NCC(=O)NC[C@@H](O)CNc1snc(C)c1C#N 1105711983 PTLXGWBQPPVBPW-SECBINFHSA-N 311.367 -0.652 30 20 DBED N#Cc1nc(=NC[C@H](O)CNC(=O)C2=CCOCC2)cc[nH]1 1105798474 CMFPUJDVMFICOD-NSHDSACASA-N 303.322 -0.994 30 20 DBED Cc1ccnc(C(=O)NC[C@H](O)CNc2ccc(C#N)nn2)n1 1105802537 AXOTWRIIUCXNSF-LLVKDONJSA-N 313.321 -0.351 30 20 DBED Cc1ccc(C#N)c(NC[C@@H](O)CNC(=O)c2nc[nH]n2)n1 1105932357 HRGQVYUHHIVSPF-SNVBAGLBSA-N 301.310 -0.417 30 20 DBED Cc1n[nH]cc1C(=O)N1C[C@@H](C)[C@H](CNCC(=O)NCC#N)C1 1106502551 OYMNLOUYHVROHG-ZYHUDNBSSA-N 318.381 -0.344 30 20 DBED CNC(=O)NCC(=O)N[C@@H](C)CCN=c1cc[nH]c(C#N)n1 1106615327 AXDLSYLLHNTCAX-VIFPVBQESA-N 305.342 -0.994 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1C 1106663364 GLABUSSPEUMACK-YIYPIFLZSA-N 307.394 -0.273 30 20 DBED Cn1nccc1CC(=O)NC/C=C\CN=c1cc[nH]c(C#N)n1 1107172372 UZIFZGAMMJJUJM-IHWYPQMZSA-N 311.349 -0.169 30 20 DBED C=CCN1CC(n2cc(CNC(=O)CCCC(N)=O)nn2)C1 1107241867 HVVCZBUIBGKRAL-UHFFFAOYSA-N 306.370 -0.407 30 20 DBED C=CCN1CCO[C@@](C)(CNC(=O)c2cn(CCOC)nn2)C1 1107939731 JETWUZBNAFXISR-HNNXBMFYSA-N 323.397 -0.069 30 20 DBED C[C@@H](CNc1nccnc1C#N)NC(=O)[C@H]1CCCS1(=O)=O 1108405695 NZLLZPWFWDSESQ-GXSJLCMTSA-N 323.378 -0.158 30 20 DBED C=CCCN1CC(N2C[C@@H](NC(=O)CNC(=O)CC)CC2=O)C1 1108525654 OHJNGMOYYJCQLT-LBPRGKRZSA-N 322.409 -0.510 30 20 DBED CC#CCN1CC(N2C[C@H](NC(=O)[C@H](O)C(C)C)CC2=O)C1 1108543347 WGPVWTITDDEAKS-IUODEOHRSA-N 307.394 -0.572 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)CCOCC3CC3)CC2=O)C1 1108545707 CUTZTILPLYRUHM-AWEZNQCLSA-N 319.405 -0.162 30 20 DBED CN(C)[C@@H](C(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1)C1CC1 1108552478 MJSFBLYSPDCWDX-IUODEOHRSA-N 319.409 -0.749 30 20 DBED C[C@H](CN(C)c1cnc(C#N)cn1)NC(=O)Cn1cncn1 1108960941 WJTWOMXISFMORG-SNVBAGLBSA-N 300.326 -0.419 30 20 DBED C[C@H](CN(C)c1ccc(C#N)nn1)NC(=O)[C@@]1(C)CCNC1=O 1109240951 XDKOQGGUQBPSTE-BMIGLBTASA-N 316.365 -0.185 30 20 DBED Cc1nc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)CNC(N)=O)ccc1C#N 1109679173 ATRXRJLDAIUROV-UHIISALHSA-N 314.349 -0.377 30 20 DBED N#Cc1nc(=NC[C@H](NC(=O)C(N)=O)C2CCCC2)cc[nH]1 1110679693 XLAAAEHADALZJL-JTQLQIEISA-N 302.338 -0.658 30 20 DBED COCCC(=O)N(C)[C@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1111167774 PEQNHQJMYJGANC-RYUDHWBXSA-N 305.338 -0.607 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)[C@H]1CN(c2ccnc(C)n2)C[C@@H]1O 1111190560 IELRRZUHLAESKP-UBHSHLNASA-N 318.377 -0.169 30 20 DBED CCNC(=O)CC(=O)N1C[C@H](C)[C@H](N=c2cc[nH]c(C#N)n2)C1 1112310672 QLCCSZOMKXKQFM-WDEREUQCSA-N 316.365 -0.445 30 20 DBED CCOCC(=O)NC[C@@H]1CN(c2ccc(C#N)cn2)C[C@@H]1O 1112692346 LZWOMRQFGUMTLL-OLZOCXBDSA-N 304.350 -0.097 30 20 DBED CS(=O)(=O)CC(=O)NC1CC(CNc2nccnc2C#N)C1 1112819036 GEIUCXFTPYDPKB-UHFFFAOYSA-N 323.378 -0.300 30 20 DBED CCc1noc(C)c1C(=O)N1CCN(CC(=O)NCC#N)CC1 1113626562 XBGNDBZUWUCSNI-UHFFFAOYSA-N 319.365 -0.057 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)c3cnccn3)[C@H]2C1 1113790490 IVRBSQDCNZIICF-SRVKXCTJSA-N 315.377 -0.173 30 20 DBED C[C@@H](CNC(=O)c1nnn(C)n1)N(C)c1ccc(C#N)nc1 1113815124 UWFFRBPBTRCRJD-VIFPVBQESA-N 300.326 -0.269 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3cccc(C)n3)[C@H]2C1 1113864274 KKJNWYABGUFLMS-STQMWFEESA-N 312.373 -0.201 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3ccccc3O)[C@H]2C1 1113867183 KWSOZYUWQTVCSD-STQMWFEESA-N 313.357 -0.198 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)Cc3cncnc3)[C@H]2C1 1114188333 DKQDILNOEWIPAL-FOLVSLTJSA-N 300.362 -0.285 30 20 DBED CC[C@@H]1OCC[C@H]1C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1114597308 NVVBMLZFGLCTGX-BIGJJFBESA-N 320.393 -0.512 30 20 DBED CC#CCCCC(=O)NC1[C@H]2CN(CC(=O)NCC#N)C[C@H]12 1114710438 CXGPRRAKXNVMJH-STQMWFEESA-N 302.378 -0.134 30 20 DBED C#CCCN1C[C@H]2[C@H](NC(=O)[C@@H](NC(=O)COC)C(C)C)[C@H]2C1 1114939517 JMXNHCGCVUEHMG-LQKXBSAESA-N 321.421 -0.157 30 20 DBED C#CCNC(=O)CC(=O)NCC1(NCCCO)CCCCC1 1115492211 VPMXMLWINKMIRJ-UHFFFAOYSA-N 309.410 -0.083 30 20 DBED C#CC1CCN(C(=O)C(=O)NCCn2cnnc2CC)CC1 1118150740 GVQMKBJBHORABM-UHFFFAOYSA-N 303.366 -0.172 30 20 DBED CCN1C[C@H](CNC(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)CC1=O 1118360766 CBQJKWLHWXOFRG-SDDRHHMPSA-N 306.366 -0.221 30 20 DBED C#CCNC(=O)CN1CCN(C[C@@H]2CCNC(=O)CC2)CC1 1118368729 QJDYMPKRBDMVQV-AWEZNQCLSA-N 306.410 -0.730 30 20 DBED C[C@@H](CN(C)C(=O)Cc1nc[nH]n1)Nc1ccc(C#N)nn1 1120067743 KSDOSBAHQTVXQF-VIFPVBQESA-N 300.326 -0.032 30 20 DBED C=CCN(CCOC)c1nnnn1C[C@H]1CCS(=O)(=O)C1 1120126925 RZXZWQUMTFNKDH-LLVKDONJSA-N 315.399 -0.253 30 20 DBED CCOCCOCC(=O)NC[C@@H](CO)Nc1ccc(C#N)nn1 1121675397 CZQNMNGQLRCJEJ-LBPRGKRZSA-N 323.353 -0.710 30 20 DBED CN(C)CCCCC(=O)NC[C@H](CO)Nc1nccnc1C#N 1121847608 RAMWALVYEXXEBH-GFCCVEGCSA-N 320.397 -0.031 30 20 DBED C=CCN(C(=O)C[C@@]1(O)CCCNC1)[C@H]1CCS(=O)(=O)C1 1121852347 ULCWXNWCKCRXAX-JSGCOSHPSA-N 316.423 -0.307 30 20 DBED Cc1cc(=N[C@H](CO)CNC(=O)Cc2ncc[nH]2)c(C#N)c[nH]1 1121977814 UMTMEMMKTFVGEH-LBPRGKRZSA-N 314.349 -0.462 30 20 DBED Cn1cncc1C(=O)NC[C@@H](CO)Nc1cncc(C#N)n1 1122218863 OGPNBTLCGLIXPB-JTQLQIEISA-N 301.310 -0.715 30 20 DBED Cc1n[nH]cc1C(=O)NC[C@H](CO)Nc1cnc(C#N)cn1 1122293560 NKUPXPOPROGEMD-SNVBAGLBSA-N 301.310 -0.417 30 20 DBED CC[C@@H](NC(C)=O)C(=O)NC[C@H](CO)Nc1cncc(C#N)n1 1122643492 DAWMMMKEPPJIBQ-VXGBXAGGSA-N 320.353 -0.848 30 20 DBED Cc1nc(NC[C@H](O)CN(C)C(=O)CNC(N)=O)ccc1C#N 1124076429 ISUXWILBNDYOLR-NSHDSACASA-N 320.353 -0.839 30 20 DBED COCCN(CCNC(=O)CNC(C)=O)c1ccc(C#N)nn1 1126181248 VHHLOTKDLJNAQW-UHFFFAOYSA-N 320.353 -0.947 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@H]1CCCN1C(C)C 1127082789 YVEUIZRPHOZQBC-UONOGXRCSA-N 308.426 -0.297 30 20 DBED N#Cc1cncc(N2CC=C(CNC(=O)Cc3nc[nH]n3)CC2)n1 1127691074 XXDHLAHHXFLREU-UHFFFAOYSA-N 324.348 -0.038 30 20 DBED C=CCOCCN1CC[C@H](c2n[nH]cc2CNC(=O)C(N)=O)C1 1130417971 MZYREORROBWAFQ-NSHDSACASA-N 321.381 -0.497 30 20 DBED COCC#CCNCCNC(=O)C[C@H]1CCS(=O)(=O)C1 1130991179 YCCHGJYEFWXTTO-GFCCVEGCSA-N 302.396 -0.833 30 20 DBED C=CCCC(=O)N1CCC(=O)NCCN([C@@H](CC)C(N)=O)CC1 1131336908 OMOCXCGPFXZCCS-ZDUSSCGKSA-N 324.425 -0.133 30 20 DBED C#CCCN1C[C@@H](NC(=O)CS(=O)(=O)N(C)C)CC[C@H]1C 1132453397 OHEWBBGBYBYZPL-OLZOCXBDSA-N 315.439 -0.130 30 20 DBED C#CCNC[C@H]1CN(C(=O)CN2CCOCC2=O)CC[C@H]1C 1132900564 FVSNBDDUJSOIEU-KGLIPLIRSA-N 307.394 -0.447 30 20 DBED C=C(C)CN[C@H](C)C[C@H](C)NC(=O)Cn1ccc(=O)n(C)c1=O 1134540797 LURJXPVNFOBVFU-OLZOCXBDSA-N 322.409 -0.004 30 20 DBED C[C@H](C[C@@H](C)NC(=O)c1n[nH]cc1F)NCC(=O)NCC#N 1135408188 UBOMPZIIQGCCTF-RKDXNWHRSA-N 310.333 -0.325 30 20 DBED C=C(C)CCN1CCCO[C@@H](CNC(=O)Cn2ncnn2)C1 1149740406 XRBXIMRPAPXGMI-ZDUSSCGKSA-N 308.386 -0.154 30 20 DBED C[C@@]1(C(=O)NC[C@H]2CN(CC#N)CCCO2)CCNC(=O)C1 1149889343 NMCSRWJYZFTYEC-SWLSCSKDSA-N 308.382 -0.367 30 20 DBED CC#CCN1CCCO[C@@H](CNC(=O)[C@]2(C)CNC(=O)C2)C1 1150023239 SOKRNUXNXGFNEK-BBRMVZONSA-N 307.394 -0.257 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)[C@@]2(COC)CCOC2)C1 1150036161 NCJNXCYMEJKPKM-GOEBONIOSA-N 310.394 -0.120 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)Cn1ccnc1C 1151147381 LJWDBJMZYNOYBQ-UHFFFAOYSA-N 320.397 -0.341 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H](C)N(CC)CCn1cccn1 1152854713 BPHFOVXSRFZBPK-CQSZACIVSA-N 319.409 -0.151 30 20 DBED C#CCNC(=O)CC(=O)NCCCN[C@H]1CCN(CC=C)C1=O 1156848321 XUYBFZDOKQLGFV-ZDUSSCGKSA-N 320.393 -0.991 30 20 DBED C#CCO[C@@H](C)C(=O)NCCCNC[C@@H](O)Cn1cccn1 1157881186 XRPFRVOSZZWDRE-UONOGXRCSA-N 308.382 -0.622 30 20 DBED CCc1cnccc1C(=O)NCCCNCC(=O)NCC#N 1161501915 NPPMTUUBMFCBDH-UHFFFAOYSA-N 303.366 -0.007 30 20 DBED CCN(CCC#N)C(=O)CNCCCNC(=O)C1(C(N)=O)CC1 1165595975 HLGAMINQDWTNQY-UHFFFAOYSA-N 323.397 -0.890 30 20 DBED C=CCNC(=O)NC(=O)CNCCCNC(=O)CCN(C)C 1165794031 IAKGKNYJCAUHBS-UHFFFAOYSA-N 313.402 -0.954 30 20 DBED C=CCNC(=O)CNCCCNC(=O)c1cnc(O)cc1OC 1166923576 CRVXTBHRRWZZCN-UHFFFAOYSA-N 322.365 -0.193 30 20 DBED COCC#CCNCCCNC(=O)c1ccc2nnc(O)n2c1 1168246921 ROXHTNPKAYLARM-UHFFFAOYSA-N 317.349 -0.206 30 20 DBED N#CCNC(=O)CN1CCO[C@H]2CCN(C(=O)C3CC3)C[C@@H]21 1176870670 HEPLIIXCNCRJLA-STQMWFEESA-N 306.366 -0.662 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)CNC(=O)C3CC3)C[C@H]21 1176923026 FQGHRPXNDUKQBQ-ZIAGYGMSSA-N 305.378 -0.553 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC[C@H](NCc2nnn(C)n2)[C@@H]1C 1178587440 MEFSXTNLTGIPPA-COPLHBTASA-N 308.386 -0.384 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)CCOCC#C)[C@H]1C 1178688424 CLZBQDAQTAQLPI-KKUMJFAQSA-N 319.405 -0.257 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)c2cnn(C)n2)[C@H]1C 1179714581 AQLWGWMGOVGYTN-WOPDTQHZSA-N 318.381 -0.854 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2c(Cl)cnn2C)C1 1182608054 YOFLUCWKXTVAOL-SNVBAGLBSA-N 323.784 -0.373 30 20 DBED C[C@H]1CN(C(=O)c2cnon2)CC[C@H]1CNCC(=O)NCC#N 1185338816 SFQYDCGFLCJPBB-QWRGUYRKSA-N 320.353 -0.603 30 20 DBED C=CCN[C@@H]1CCN(C(=O)[C@@H](NS(C)(=O)=O)C(C)C)C1 1186194056 UQPIZDXSZGKMNS-NEPJUHHUSA-N 303.428 -0.063 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H]2CCN(C(=O)CC(C)(C)O)[C@@H]2C1 1187728976 GTSIMIDXQRTGBK-HZSPNIEDSA-N 321.421 -0.182 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@H](N(C)Cc2cnnn2C)C1 1190093931 FCLZYGYJYKAZOF-STQMWFEESA-N 305.382 -0.114 30 20 DBED Cc1ncoc1CN1C[C@@H](O)[C@H](NC(=O)CSCC#N)C1 1191149344 NYTZLHJISWDTSF-GHMZBOCLSA-N 310.379 -0.099 30 20 DBED C#CCN(C)[C@@H]1CCN(C(=O)[C@H](Cc2cnc[nH]2)NC(C)=O)C1 1192153512 QEYHYKGFTVGTNM-CABCVRRESA-N 317.393 -0.377 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(C[C@H](O)Cn2cccn2)C[C@H]1O 1192524887 NTBUEIAYOBMNOZ-RRFJBIMHSA-N 320.393 -0.791 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(Cc2ccn(C)c(=O)c2)C[C@H]1O 1192722786 SPTJMJNDZLQHHW-HUUCEWRRSA-N 317.389 -0.294 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@H]1CCN(C(=O)c2cccnn2)C1 1193009166 UYQURQOTYRBPKL-STQMWFEESA-N 315.377 -0.239 30 20 DBED C#CCCN(C)[C@@H]1CCN(C(=O)c2nccnc2C(N)=O)C1 1193905516 JASRTZFPOOXVKM-LLVKDONJSA-N 301.350 -0.255 30 20 DBED COCC#CCN1CCCN(C(=O)[C@H]2COCCN2C)CC1 1195516189 YTYMECUPKPYVAN-OAHLLOKOSA-N 309.410 -0.499 30 20 DBED C#CCNC(=O)[C@H](C)N1CCCN(C(=O)c2ncc[nH]2)CC1 1195747400 POHPHMFSPVFELE-LBPRGKRZSA-N 303.366 -0.305 30 20 DBED CCS(=O)(=O)N[C@@H](C)C(=O)N1CCCN(CC#N)CC1 1195915004 ILWLLMPXFPYMTR-NSHDSACASA-N 302.400 -0.628 30 20 DBED C=CCNC(=O)[C@H](C)N1CCCN(C(=O)[C@H](C)CC(N)=O)CC1 1196771123 SJBCBAZHZRSEHV-OLZOCXBDSA-N 324.425 -0.277 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)C2(C(=O)N(C)C)CC2)C1 1197680791 AJZXXESENDDXHO-GHMZBOCLSA-N 315.801 -0.231 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)[C@@]23COC[C@@H]2C3)CCCO1 1200547996 QZUPIZQXBMIONJ-UXLLHSPISA-N 322.405 -0.120 30 20 DBED C#CCNC[C@@H]1CN(C(=O)c2ccnc3[nH]nnc23)CCCO1 1200937801 NYADSQOIVXMRDH-LLVKDONJSA-N 314.349 -0.193 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CCN(C(=O)c2cccnn2)CC1 1203032477 LJMWFCYASPIUEB-GFCCVEGCSA-N 315.377 -0.191 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CCCN(C(=O)CNC(=O)CC)C1 1207701673 PEHMVEFUUYDUPQ-QWHCGFSZSA-N 324.425 -0.216 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@@H](NC[C@H]2CCOC2)C1 1207871755 ARVNYCXUBYPPNT-ZIAGYGMSSA-N 307.394 -0.257 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@H](NCCC[C@@H](C)O)C1 1207872151 LEMDOGJZNZCOOF-KGLIPLIRSA-N 309.410 -0.133 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)[C@@H]2CCCCO2)[C@H](OC)C1 1212122674 NWKMMABLTYKNQO-HZSPNIEDSA-N 323.393 -0.880 30 20 DBED CO[C@@H]1CN([C@H](C)c2nnnn2C)C[C@H]1NC(=O)C#CC1CC1 1212245910 FRPFKWRCTXGMDN-RAIGVLPGSA-N 318.381 -0.500 30 20 DBED C=C(C)CN1C[C@@H](NC(=O)CCS(=O)(=O)NC)[C@H](OC)C1 1212270575 VNYFRWIGLJTNJA-VXGBXAGGSA-N 319.427 -0.683 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@@H](NCc2nc(=O)n(C)[nH]2)[C@H](C)C1 1214602301 OOGAMWKIQDOMPD-GRYCIOLGSA-N 321.381 -0.917 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@@H](NCC(=O)NCC=C)[C@H](C)C1 1214602602 VJAYMAGRDGPJLY-HZSPNIEDSA-N 307.394 -0.237 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(Cc2ccnc(OC)c2)C[C@@H]1O 1219361837 HNYKUSSVCDVLJU-KGLIPLIRSA-N 321.377 -0.046 30 20 DBED CCS(=O)(=O)CCCN1C[C@H](O)[C@H](NC(=O)[C@@H](C)C#N)C1 1219380957 CSWPXLYIQOLDMM-TUAOUCFPSA-N 317.411 -0.868 30 20 DBED Cc1nc(C)n(CCCC(=O)N[C@@H]2CN(CC#N)C[C@@H]2O)n1 1220732247 NXSDDYGRQQLOOI-OLZOCXBDSA-N 306.370 -0.640 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@H]2CCN(Cc3nc(O)n[nH]3)C[C@H]21 1221544625 ZGIUHXPTOIDHOI-QJPTWQEYSA-N 319.365 -0.419 30 20 DBED C#CCNC(=O)CC(=O)NC1CCN(Cc2ccnn2C)CC1 1226961507 FUVVROKREUJPGR-UHFFFAOYSA-N 317.393 -0.360 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)c2cnn(CC)n2)CC1 1227174025 HOCSLFIILAJOFI-UHFFFAOYSA-N 318.381 -0.758 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC(NC(=O)[C@H](C)CC(N)=O)CC1 1228589244 PMSLHNGIRMYXGV-VXGBXAGGSA-N 322.409 -0.784 30 20 DBED CCCC(=O)NCC(=O)N(C)C[C@@H]1CCN1CC(=O)NCC#N 1230975081 FHQPSIXLUGBQIS-LBPRGKRZSA-N 323.397 -0.925 30 20 DBED C#C[C@H](C)N(C)c1nnc(Cc2nn[nH]n2)n1C[C@@H]1CCOC1 1263562073 JZGODRURDZGCOY-QWRGUYRKSA-N 316.369 -0.124 30 20 DBED COC[C@@H](CCO)NC(=O)C(=O)Nc1cc(C)nn1CCC#N 1319439060 MPCBWZPVGIQPIL-LLVKDONJSA-N 323.353 -0.443 30 20 DBED COC[C@H]1CN(C(=O)C(=O)Nc2cnn(CC#N)c2)C[C@@H](C)O1 1320625202 QXRHEOQOYSSWPH-ZYHUDNBSSA-N 321.337 -0.393 30 20 DBED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1ccc(F)c(C(N)=O)c1 1321340331 URUNMPKGZMJUKU-SNVBAGLBSA-N 321.308 -0.246 30 20 DBED CN1C[C@@H](NC(=O)C(=O)Nc2ccn(CCC#N)n2)CC1=O 1322449188 KVGWALQCJHPMAO-VIFPVBQESA-N 304.310 -0.918 30 20 DBED CCCNC(=O)CCNC(=O)C(=O)Nc1cccc(C#N)n1 1326038023 MMINNOXENFFFLQ-UHFFFAOYSA-N 303.322 -0.076 30 20 DBED C[C@@H]1[C@H](C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CCN1C 1326385799 QHSWJMRHNCQONY-ACYQTWATSA-N 306.366 -0.031 30 20 DBED C=CCN(CCC#N)C(=O)c1nc(N)nc(N2CCOCC2)n1 1326539081 JFQATTPXCATYTM-UHFFFAOYSA-N 317.353 -0.168 30 20 DBED Cc1cc(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)ccc1C(N)=O 1326814033 XBWMOXSOYPXXFI-NSHDSACASA-N 316.317 -0.217 30 20 DBED C#CCSCCNC(=O)C(=O)N1CC[C@@H](C(=O)OC)[C@@H]1C 1326870587 OXSVXVFHNFCIKP-WDEREUQCSA-N 312.391 -0.121 30 20 DBED CC(C)Cc1cc(NC(=O)C(=O)NCC(=O)NCC#N)n(C)n1 1326872028 UNOXBGCTOHBJGH-UHFFFAOYSA-N 320.353 -0.687 30 20 DBED C[C@H]1CN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)CC(C)(C)O1 1327023737 KCSJOZMIIAMULT-NHYWBVRUSA-N 309.366 -0.111 30 20 DBED C=CCOCCNC(=O)C(=O)N1C[C@H](C)O[C@@H](COC)C1 1327052989 PMYBMUPPFPOPHX-NWDGAFQWSA-N 300.355 -0.433 30 20 DBED C[C@H](CO)C1CCN(C(=O)C(=O)N2CCO[C@H](C#N)C2)CC1 1328745252 QAONNIIAZHBKDT-DGCLKSJQSA-N 309.366 -0.396 30 20 DBED C#Cc1ccc(NC(=O)C(=O)N2C[C@@H](CO)[C@H](CO)C2)cc1 1338259461 SPGSXRZZHDXOMU-STQMWFEESA-N 302.330 -0.334 30 20 DBED C[C@H]1CN(C(=O)Cn2cc(C#N)c(O)nc2=O)CC[S@](=O)C1 1362921433 GAWPEZHAEMHQMK-AUADJRAKSA-N 324.362 -0.952 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C(=O)CCCn2cncn2)CC1 1385097944 QLBDIBMZHKHDOQ-GFCCVEGCSA-N 304.354 -0.111 30 20 DBED Cc1cc(C)n(CCC(=O)NC[C@H](O)CNC(=O)[C@@H](C)C#N)n1 1389111913 VUMATBCVYCMUCF-GWCFXTLKSA-N 321.381 -0.357 30 20 DBED CC(=O)NCC(=O)N[C@@]1(C)CCN(C(=O)c2cc(C#N)c[nH]2)C1 1394228908 WXLOSRYHZPBLAY-HNNXBMFYSA-N 317.349 -0.257 30 20 DBED C[C@H](NC(=O)CCn1cc(C#N)c(O)nc1=O)c1ccn(C)n1 1412232693 YAJSWNNDOMSGPW-VIFPVBQESA-N 316.321 -0.178 30 20 DBED CN1C(=O)CC[C@H]1C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N 1413394795 IPRZWKQWSVMANO-JTQLQIEISA-N 318.337 -0.323 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@@H]1CCCN(C(=O)CS(C)(=O)=O)C1 1415363189 SJHGUTLSPOFMRQ-WDEREUQCSA-N 315.395 -0.360 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(CCN(C)C(=O)[C@H]2CCOC2)CC1 1415921796 HZTYAFFCTOIXSO-KBPBESRZSA-N 322.409 -0.215 30 20 DBED C=C(Br)CN[C@H](C)CNC(=O)Cn1ncnn1 1419753728 XYEKTSSIUQPZOU-MRVPVSSYSA-N 303.164 -0.324 30 20 DBED C[C@H](CNC(=O)c1ccc(C(N)=O)cn1)CNC(=O)[C@@H](C)C#N 1451615338 UFTICEKXFBQQBJ-UWVGGRQHSA-N 317.349 -0.178 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC[C@H](NC(=O)c2csnn2)C1 1490443653 UWMPKTWIIKLUCA-QWRGUYRKSA-N 321.406 -0.130 30 20 DBED CCO[C@@H](CC)C(=O)NC[C@H](O)CNC(=O)c1ccc(C#N)[nH]1 1501447001 VBMKMWABSIFFME-YPMHNXCESA-N 322.365 -0.092 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)CCc1cccnc1 1501567359 GXEGGOUENPHQES-WCQYABFASA-N 304.350 -0.233 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(N(C)CCNS(C)(=O)=O)CC1 1506955527 KVPAAXWENGLFCX-NSHDSACASA-N 316.427 -0.382 30 20 DBED Cc1nnc(N2CCO[C@@H](C#N)C2)n1CCNC(=O)C1CC1 1511898892 KVSACLWRCOBEQE-LBPRGKRZSA-N 304.354 -0.159 30 20 DBED C[C@H](C#N)C(=O)NCCN(C)C(=O)Cc1nc(C2CC2)nn1C 1528597506 SXUICSJLUMOOLS-SNVBAGLBSA-N 318.381 -0.031 30 20 DBED CN(CCNC(=O)CCc1cnn[nH]1)C(=O)c1ccc(C#N)[nH]1 1528672417 MURJRKWGNDIMER-UHFFFAOYSA-N 315.337 -0.175 30 20 DBED CC(C)C[C@@H](CNC(=O)[C@@H](C)C#N)NC(=O)Cn1cnnn1 1532424147 NRGWVEZVWQOGMO-QWRGUYRKSA-N 307.358 -0.520 30 20 DBED CCn1cc(C#N)c(NC(=O)NC[C@@H](O)[C@H](C)O)c1C(=O)O 1573844173 AGRYDQRJVUIDID-IONNQARKSA-N 310.310 -0.059 30 20 DBED C=C(C)CNC[C@@H](O)CNC(=O)[C@@H]1CCCN1Cc1cnn[nH]1 1575053855 LJGBHNHYCLSTKV-KGLIPLIRSA-N 322.413 -0.588 30 20 DBED N#C[C@@]12CN(C(=O)N[C@H]3C[C@H]4CC[C@@H]3N4)C[C@H]1CS(=O)(=O)C2 1580055899 AEGDJUUSTJQSJB-ZUDIRPEPSA-N 324.406 -0.541 30 20 DBED C=C(CCC(=O)OC)C(=O)N1CC(n2cc(C(=O)O)nn2)C1 1588633543 NZLQUHHMTOHPNG-UHFFFAOYSA-N 308.294 -0.131 30 20 DBED N#Cc1ccc(S(=O)(=O)NCCOCCOCC(=O)O)o1 1594625902 ZWPYWLXGYVJLDO-UHFFFAOYSA-N 318.307 -0.453 30 20 DBED C=C(C)[C@@H](CC(=O)NCCn1cnc(-c2nn[nH]n2)n1)OCC 1609050766 ALXDOXIQBAFXPL-SNVBAGLBSA-N 320.357 -0.054 30 20 DBED Cn1ncc(C#N)c1N1CCN([C@H]2CCS(=O)(=O)C2)CC1 1649972954 BMWXQIAVPZZBBM-LBPRGKRZSA-N 309.395 -0.399 30 20 DBED CN(CCCNC(=O)c1c[nH]c(C#N)c1)Cc1nc(O)n[nH]1 1751962931 SACZFVVLDNWQAD-UHFFFAOYSA-N 303.326 -0.038 30 20 DBED COCC#CCN1CCC[C@H](CNC(=O)c2cnn(C)n2)C1 1752786951 CORVKUTXFUEYOJ-CYBMUJFWSA-N 305.382 -0.093 30 20 DBED CC#CCN[C@H](C)CNC(=O)c1ccc(=O)n(CCOC)n1 1752886814 KNTKCYUVXBGVBG-GFCCVEGCSA-N 306.366 -0.379 30 20 DBED C=CCNC(=O)CNC[C@@H]1CCN(C(=O)c2cncnc2)C1 1752934400 LHIIIFRYLTZVNS-LBPRGKRZSA-N 303.366 -0.170 30 20 DBED Cc1nccn1CC(=O)NC[C@@H]1CCCN1CC(=O)NCC#N 1753116711 YRJPXCOQJAPFTJ-ZDUSSCGKSA-N 318.381 -0.588 30 20 DBED C#CCNC(=O)[C@H](C)N1CC(NC(=O)Cn2nccc2C)C1 1753390576 WZAOAIAJWLOQTI-LBPRGKRZSA-N 303.366 -0.870 30 20 DBED C=CCCO[C@H](C)C(=O)NCC1CN(Cc2nnnn2C)C1 1753397747 RGWUOBDVSOKCCG-LLVKDONJSA-N 308.386 -0.261 30 20 DBED C=CCNC(=O)CNC[C@H](C)N(C)C(=O)c1ccc(=O)n(C)n1 1753725184 ZZTFWUBGULIBLE-NSHDSACASA-N 321.381 -0.867 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@H](C)N(C)C(=O)c1ccnc(C)n1 1753726441 MJLFXTXLPSZWNO-NWDGAFQWSA-N 317.393 -0.027 30 20 DBED C=CCNC(=O)CNC/C=C/CNC(=O)[C@H]1CCNC(=O)CC1 1754153411 GGXQZRYQYIVJMS-ITDFMYJTSA-N 322.409 -0.533 30 20 DBED COCC#CCNC[C@@H](C)NC(=O)c1ccn(CCN(C)C)n1 1754225925 RPIAYMQXWXQXLL-CQSZACIVSA-N 321.425 -0.198 30 20 DBED C#CCN(C(=O)c1cnnc(O)c1)C1CCN(CC(N)=O)CC1 1754638944 PYRPIBOGRLDKKM-UHFFFAOYSA-N 317.349 -0.793 30 20 DBED C[C@@]1(NC(=O)C#CC2CC2)CCN(CC(=O)N2CCOCC2)C1 1754670343 NYOHUHKXTPVQRC-QGZVFWFLSA-N 319.405 -0.161 30 20 DBED COCC#CCN1CC[C@@](C)(NC(=O)CCn2ccnn2)C1 1754672760 NWUNGDRAOHLRLD-OAHLLOKOSA-N 305.382 -0.101 30 20 DBED CC#CCN1CC(O)(CNC(=O)Cn2c(C)c(C)sc2=O)C1 1754779502 PDVJUSNLCQKJDD-UHFFFAOYSA-N 323.418 -0.287 30 20 DBED C#CCN[C@H](C)[C@@H]1CCN(C(=O)CCn2ncn(C)c2=O)C1 1754797362 OBTLMWANKRPFIU-CHWSQXEVSA-N 305.382 -0.568 30 20 DBED C#CCCCCC(=O)N1CCN(C2CN([C@@H](C)C(N)=O)C2)CC1 1755144907 VKWYUJNLAHAUTD-AWEZNQCLSA-N 320.437 -0.118 30 20 DBED C#CCN(C)CCOCCNC(=O)C(=O)N1CCC[C@H](C)C1 1755544426 VLNKRDFJXAPWOO-AWEZNQCLSA-N 309.410 -0.057 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C[C@H](O)CN(C)Cc1n[nH]c(C)n1 1755800412 HXNCQLVILMWLRR-DGCLKSJQSA-N 323.397 -0.597 30 20 DBED CC(C)c1nnnn1CC(=O)N(C)C[C@@H](O)CN(C)CC#N 1755806528 HTLNSBURXPJFBV-NSHDSACASA-N 309.374 -0.929 30 20 DBED C[C@H](CN(C)C(=O)C#CC1CC1)NC(=O)C1CS(=O)(=O)C1 1756451129 SMYZDDRZHDLVNH-SNVBAGLBSA-N 312.391 -0.593 30 20 DBED CN(C[C@H](O)CNC(=O)c1ccon1)C(=O)CSCC#N 1756653823 MGKJMEXPIVHUMK-SECBINFHSA-N 312.351 -0.520 30 20 DBED C=C(C)CCC(=O)N1C[C@H](O)[C@H](NC(=O)Cn2ccnc2)C1 1757187737 ZDKXCPUWKUCFMU-OLZOCXBDSA-N 306.366 -0.073 30 20 DBED C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)CN 1795517389 UONGATNVJXCMNE-CSYMLDBXSA-N 315.439 -0.511 30 20 DBED CC(C)(C)[C@H](O)C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846194486 JKQMRWWJDYOEKY-CYBMUJFWSA-N 322.361 -0.315 30 20 DBED CCn1cc(C#N)c(=O)n(Cc2cc(=O)n3ccccc3n2)c1=O 10855442 UIFKLBNJDUMBBY-UHFFFAOYSA-N 323.312 -0.042 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN([C@H](C)C(=O)NCC=C)CC1 70738738 NGHAEXBHBADHPV-OKILXGFUSA-N 308.426 -0.015 30 20 DBED CS(=O)(=O)N[C@H]1CCC[C@@H]1C/N=C(\N)N1CCOCC1 134116151 RIAQTTXKROTVTO-MNOVXSKESA-N 304.416 -0.649 30 20 DBED CCC(=O)N1CC[C@H](N/C(=N\C)NCC(C)(C)C(=O)NC)C1 261969913 MNMJSTVEPRDNOU-NSHDSACASA-N 311.430 -0.066 30 20 DBED CCN1CCC[C@H]1CN/C(N)=N/C[C@H]1CCS(=O)(=O)C1 261975494 FWMDJRQTCXUJEK-NEPJUHHUSA-N 302.444 -0.190 30 20 DBED CCc1nc(CCN/C(=N\C)N[C@H]2CCC(=O)N(C)C2)no1 262772479 IBMOGBKJAQVVMG-JTQLQIEISA-N 308.386 -0.040 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N1CCNC(=O)[C@@H]1C(C)C 272904554 ZJDSJSCKIZHFFK-NSHDSACASA-N 317.411 -0.247 30 20 DBED CC#CC[C@H](NS(=O)(=O)c1c[nH]c(C(=O)OC)c1)C(=O)O 275024330 PEKMPXMLCGEPQF-VIFPVBQESA-N 314.319 -0.054 30 20 DBED C[C@@]1(C(N)=O)CCN(CC#CCN2CC[C@@](C)(C(N)=O)C2)C1 284908496 VEXCMCUMWNGGNL-HZPDHXFCSA-N 306.410 -0.616 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)NC[C@@H](C)N1CCOCC1 330382859 XPTTUZVOKUYGAH-VXGBXAGGSA-N 304.416 -0.367 30 20 DBED C=CCN1CC[C@H](N2CCC[C@H](CS(N)(=O)=O)C2)C1=O 337191698 SQJDSDFGTNFBJX-RYUDHWBXSA-N 301.412 -0.226 30 20 DBED Cc1cc(C)cc(C(=O)NCC(=O)NCC(=O)NCC#N)c1 344177089 HZYUPPIQARZYLD-UHFFFAOYSA-N 302.334 -0.211 30 20 DBED N#CCCCCNC(=O)N1CCN(C(=O)Cn2cnnn2)CC1 352363952 WQHHLMBCCFXTBY-UHFFFAOYSA-N 320.357 -0.779 30 20 DBED CCN(CCC#N)C(=O)CN1CCN(C(=O)CCOC)CC1 355653364 DYURNLHNNWTQHM-UHFFFAOYSA-N 310.398 -0.071 30 20 DBED CC(C)COC[C@H](O)CNC(=O)NCCn1cnc(C#N)n1 357885419 WSHJVFCXFZXOAY-LLVKDONJSA-N 310.358 -0.518 30 20 DBED CC1(C)NC(=O)N(CCCC(=O)N[C@@]2(C#N)CCOC2)C1=O 358445158 RKMIZOLOTXCQDA-CQSZACIVSA-N 308.338 -0.104 30 20 DBED N#CCNC(=O)CNC(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1 376195803 ABNUENVONGFWJB-LBPRGKRZSA-N 321.381 -0.330 30 20 DBED N#Cc1ccc(OCCNC(=O)C(=O)N[C@@H]2CCCNC2)cc1 419461790 IJTOITHYQCMISP-CYBMUJFWSA-N 316.361 -0.079 30 20 DBED C=CCCn1cc(C(=O)Nc2ccn(CC(=O)OC)n2)nn1 424652158 ZXZKRUAGRFEHII-UHFFFAOYSA-N 304.310 0.476 30 20 DBED N#Cc1ncn(CC(=O)N2CCNC(=O)[C@@H]2c2ccccc2)n1 426422244 UFKFNTUTVYRLKR-AWEZNQCLSA-N 310.317 -0.151 30 20 DBED C[C@@H]1CN(C(=O)CNc2ccc(C#N)cn2)C[C@@H](C)S1(=O)=O 427886637 PYIVTZLSSGUZKK-GHMZBOCLSA-N 322.390 0.399 30 20 DBED Cc1cc(S(=O)(=O)NCCC(=O)NC(N)=O)ccc1C#N 443902775 CNGISJUVYBXRPD-UHFFFAOYSA-N 310.335 -0.270 30 20 DBED C=CCCCS(=O)(=O)NCCNS(=O)(=O)NC(C)C 489823028 BQWBQRLBDGBEMS-UHFFFAOYSA-N 313.445 -0.296 30 20 DBED CCOC(=O)N1CC[C@@H](NS(=O)(=O)N(C)CCC#N)C1 495347153 IWJFPKCUECBFNP-SNVBAGLBSA-N 304.372 -0.103 30 20 DBED CCN(CCC#N)C(=O)CN1C(=O)N[C@@]2(CCCNC2)C1=O 517366556 HOVYXYLTNKKTBP-CQSZACIVSA-N 307.354 -0.577 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CC[C@H](S(=O)(=O)NC)C1 554519303 QFQPIHCNZQBCTK-JTQLQIEISA-N 324.428 -0.910 30 20 DBED Cc1cc(C#N)cnc1C(=O)NCCNS(=O)(=O)N(C)C 564580181 RUJPSGQUXHXDKN-UHFFFAOYSA-N 311.367 -0.613 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCC(NS(=O)(=O)NC)CC1 565368620 PHVZLBWOJGCWET-GFCCVEGCSA-N 305.400 -0.642 30 20 DBED N#Cc1c[nH]cnc1=NCCN1CCN(c2ncccn2)CC1 571913055 OKYLOPNJOKZZEE-UHFFFAOYSA-N 310.365 -0.206 30 20 DBED N#CCNC(=O)CNC(=O)Nc1ccn(Cc2ccncc2)n1 588249300 PKEJGLIAFCALRS-UHFFFAOYSA-N 313.321 0.088 30 20 DBED CNC(=O)[C@H](CCSC)NC(=O)Nc1nn(C)cc1C#N 589001856 CHMFSXDXAYYTIF-VIFPVBQESA-N 310.383 0.281 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)[C@@H]2COCCN2CC(F)F)C1 592850284 REGWAUSQWUOPCZ-GXFFZTMASA-N 303.309 -0.171 30 20 DBED N#Cc1cnnc(N2CCN(C(=O)CN3CCOCC3)CC2)c1 596067469 XZUBNKWECZBKGB-UHFFFAOYSA-N 316.365 -0.671 30 20 DBED N#CCNC(=O)CNC(=O)N[C@@H](CO)c1ccc(F)cc1F 596599829 WDWRPYVRUNDVEL-NSHDSACASA-N 312.276 -0.063 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)Nc2cnn(CC3CC3)c2)CCO1 610776049 SRKBQCKVUUGMGN-LBPRGKRZSA-N 303.322 -0.017 30 20 DBED C=C(CNC(=O)c1cnn(C)c1)CNC(=O)c1cnn(C)c1 620748817 ZYJCJKUURYXNAT-UHFFFAOYSA-N 302.338 -0.130 30 20 DBED C=CCn1cc(C(=O)N2CCN(CC(=O)NC3CC3)CC2)nn1 648717813 XJQHKUNQYNEHJE-UHFFFAOYSA-N 318.381 -0.500 30 20 DBED CC#CC[C@@H](CO)NC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O 649193196 ZFGLFHDAXDWJJD-XHDPSFHLSA-N 307.350 -0.403 30 20 DBED N#CCNC(=O)COC(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O 731233249 GHYRTCUACKMCKM-QWRGUYRKSA-N 321.333 -0.265 30 20 DBED NC(=O)CNC(=S)NN=Cc1ccc(N2CCOCC2)cc1 731929166 AOACIOHQOJBBMF-UHFFFAOYSA-N 321.406 -0.194 30 20 DBED C#CCNC(=S)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 758182772 DDVIRVFCXGJOQO-NSHDSACASA-N 301.437 -0.701 30 20 DBED C=CCS(=O)(=O)NC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O 772718081 XLROXUFAUAXCGV-GFCCVEGCSA-N 315.351 -0.661 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCCCCC(=O)O)C1=O 773227341 WJKGEZYFPIHYHH-UHFFFAOYSA-N 311.294 -0.666 30 20 DBED N#Cc1ccc(CNC(=O)c2ccc(S(N)(=O)=O)nc2)nc1 781061839 LHNJCECYRWTCKD-UHFFFAOYSA-N 317.330 -0.074 30 20 DBED N#CC1(CNC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)CC1 797779448 ADOWQFODUDIUNV-UHFFFAOYSA-N 306.347 -0.096 30 20 DBED CO[C@H](CNS(=O)(=O)N1CCO[C@H](C#N)C1)C(F)(F)F 800052671 GFOZGTGUEXKGTR-HTQZYQBOSA-N 317.289 -0.378 30 20 DBED CO[C@@H](CNS(=O)(=O)N1CCO[C@@H](C#N)C1)C(F)(F)F 800052674 GFOZGTGUEXKGTR-YUMQZZPRSA-N 317.289 -0.378 30 20 DBED C#CCC(C)(C)C(=O)NS(=O)(=O)N1CCN(C(C)=O)CC1 813947347 FUCVZAIVALCSQZ-UHFFFAOYSA-N 315.395 -0.439 30 20 DBED NC(=O)c1ccc(OCC(=O)N[C@@H]2CCCN(O)C2=O)cc1 820470870 HXYNXEAPTFWGSX-LLVKDONJSA-N 307.306 -0.339 30 20 DBED C#CC1CCN(C(=O)N[C@H]2CS(=O)(=O)C[C@@H]2OC)CC1 821140800 BTTYRMRTYJGEKW-RYUDHWBXSA-N 300.380 -0.147 30 20 DBED O=C(N[C@@H]1CCCN(O)C1=O)c1cnc2nc(O)nc(O)c2c1 848139548 YJDAIYOKBXOEGL-MRVPVSSYSA-N 319.277 -0.454 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(CN(CC)[C@@H](C)C#N)c1=O 853580011 XDGGFRDDXCXHCG-LBPRGKRZSA-N 319.365 -0.265 30 20 DBED C#CCN(CC(=O)Nn1c(O)nnc1O)C(=O)OC(C)(C)C 854612246 KQKLMCVAHNSVBF-UHFFFAOYSA-N 311.298 -0.370 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@@H](OCC)C(C)C)CC1 859179297 KMUGZYXUJNQEAA-HNNXBMFYSA-N 309.410 -0.059 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)CN1CCCCS1(=O)=O 884689590 PWPCYWNIQTWIIF-JTQLQIEISA-N 302.352 -0.907 30 20 DBED N#CCCN(Cc1ccccn1)C(=O)CN1CCNC(=O)C1 900568742 YMHHVGHOUQBOSB-UHFFFAOYSA-N 301.350 -0.244 30 20 DBED C#CCO[C@H](C)C(=O)NC1(C)CN(C(=O)[C@@H](C)OCC#C)C1 913841344 ZAIBZLWUKRSWMR-CHWSQXEVSA-N 306.362 -0.220 30 20 DBED N#Cc1ccc(NCCNC(=O)N[C@H]2CCS(=O)(=O)C2)nc1 915880252 CAGPQNSMKKRIAK-NSHDSACASA-N 323.378 -0.149 30 20 DBED CN(C)S(=O)(=O)CCS(=O)(=O)N1CCC[C@H](C#N)C1 921359147 ARFVXFJYXRIPKF-SNVBAGLBSA-N 309.413 -0.557 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(C)c1N 936955946 QSHCDJQCCZZLKT-GUBZILKMSA-N 302.338 -0.413 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)Cn3nccn3)C2)nc1 940660467 YWJXRRFASXIFOQ-CYBMUJFWSA-N 324.344 -0.315 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)c2nccnc2N)C1 944522746 YPEOSELYPPFYRV-UWVGGRQHSA-N 318.337 -0.824 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCN(CC(N)=O)[C@H](C)C2)nn1 947792781 SDBBRAXEZOHCBO-GHMZBOCLSA-N 306.370 -0.468 30 20 DBED C=CCn1cc(C(=O)N2CC[C@@H]2CNC(=O)c2cc[nH]n2)nn1 948890368 CYPSVMPVLSIOOW-SNVBAGLBSA-N 315.337 -0.168 30 20 DBED CC#CCN1CCN(C(=O)C2(n3cnnn3)CCOCC2)CC1 951636158 WYPLBDTVZMKREI-UHFFFAOYSA-N 318.381 -0.654 30 20 DBED C#Cc1ccc(C(=O)N[C@@]2(C)CCN(C(=O)CC(N)=O)C2)cn1 957251768 KKFJDJRDZNQKFS-INIZCTEOSA-N 314.345 -0.341 30 20 DBED Cn1cnc(C(=O)NC[C@@H]2COCCN2C(=O)C#CC2CC2)c1 964152640 XGUQFNIBMDSNBW-CYBMUJFWSA-N 316.361 -0.209 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)c1cncn1C 964241019 GUGYDUGFCXVVIT-GHMZBOCLSA-N 305.338 -0.463 30 20 DBED O=C(N[C@@H]1COC2(C1)CN(C(=O)C#CC1CC1)C2)c1cnn[nH]1 965735538 DCFJCYTXARTLKO-NSHDSACASA-N 315.333 -0.682 30 20 DBED Cc1ncn(C)c1C(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 966585747 RNYGACRUFGGASJ-OLZOCXBDSA-N 316.361 -0.557 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C2CN(C(=O)[C@@H](C)C#N)C2)CC1 967245861 VVAZRFUSYPRJTQ-RYUDHWBXSA-N 303.366 -0.339 30 20 DBED Cc1ccc(=O)n(CC(=O)N[C@H]2CN(CC#N)CC[C@@H]2C)n1 968565401 FYYYHTJNXCABGV-AAEUAGOBSA-N 303.366 -0.098 30 20 DBED Cc1nc(CC(=O)N2CC[C@@]3(CN(CC#N)CCO3)C2)n[nH]1 972373944 OFDQGSQTJXRHPJ-CQSZACIVSA-N 304.354 -0.518 30 20 DBED O=C1C[C@@H](C(=O)N[C@H]2[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]32)CCN1 976351398 FIBRXDPSNZJMDJ-BCUIYNNISA-N 315.373 -0.501 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]1CN(C)C(=O)C1CS(=O)(=O)C1 977758497 LXMZMWPEBPGWBW-MWLCHTKSSA-N 313.379 -0.750 30 20 DBED Cn1cnn(CC(=O)N[C@@H]2CC[C@@H]3CN(CC#N)C[C@H]3C2)c1=O 980080160 AZOPKIBJRBPODX-JHJVBQTASA-N 318.381 -0.678 30 20 DBED Cn1cnc(C(=O)NC[C@@H]2CCN(C(=O)C#CC3CC3)C2)n1 982743149 VYKICBYPODUTNK-LBPRGKRZSA-N 301.350 -0.193 30 20 DBED C=C(C)CN[C@@H]1C[C@@H](C)N(C(=O)CN2C(=O)C(=O)N(C)C2=O)C1 989513882 HWKQXWLJWTZTSB-GHMZBOCLSA-N 322.365 -0.438 30 20 DBED C=CCCn1cc(C(=O)NC2CN(C(=O)c3cnn[nH]3)C2)nn1 991996174 NOWALSMCZHQSDX-UHFFFAOYSA-N 316.325 -0.773 30 20 DBED C=CCN1CC[C@@]2(NC(=O)CN3CCNC(=O)C3)CCC[C@H]12 992083054 DJWCMMUDILKGIT-BBRMVZONSA-N 306.410 -0.283 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2[C@H]3COC[C@H]32)C1 997947305 WRSMNRJUXKZUHB-DGTMBMJNSA-N 306.362 -0.203 30 20 DBED C#Cc1cncc(C(=O)NC2CN(C(=O)c3cn(CC)nn3)C2)c1 999313725 BCTHNILKCFVWJB-UHFFFAOYSA-N 324.344 -0.071 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)c2[nH]c(O)nc2C)C1 1000022577 RHHCOIKYHWLGKE-MNOVXSKESA-N 320.349 -0.045 30 20 DBED C[C@H](C#N)C(=O)N1CC(CNC(=O)[C@H]2CCNC(=O)CC2)C1 1003344611 CSEDWKGBIWBPIR-ZYHUDNBSSA-N 306.366 -0.363 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2cnnn2C)C1 1014769706 MEGIVHKOWZGTBY-HIFRSBDPSA-N 316.409 -0.397 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCN([C@H](C)C(=O)NC)C2)nn1 1015811116 ZTKKZGCCRUWXJS-MNOVXSKESA-N 306.370 -0.597 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCN([C@H]3CCCNC3=O)C2)nn1 1015812574 XULKXGNIXPWCFU-YPMHNXCESA-N 318.381 -0.453 30 20 DBED CC1(C)C(=O)NC(=O)N1CC(=O)N1[C@H]2CC[C@H]1CN(CC#N)C2 1018142099 HOWFNQZPGDOAJT-QWRGUYRKSA-N 319.365 -0.484 30 20 DBED C=CCN1CC[C@H](N[C@H]2CCN(C(=O)[C@@H]3CCC(=O)N3)C2)C1=O 1019679061 MWAOFPUWTDJGJN-AVGNSLFASA-N 320.393 -0.758 30 20 DBED C#CCN[C@H]1C[C@H](NC(=O)c2ccc(=O)n(CCOC)n2)C1 1020372195 OJYAZNCUMGOUPH-HAQNSBGRSA-N 304.350 -0.627 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NCc2nnn(C)n2)C1 1022220887 SUCIRRANXNZXQL-XQQFMLRXSA-N 317.397 -0.956 30 20 DBED N#Cc1cc(C(=O)NC[C@@H]2CCCN2[C@H]2CCNC2=O)c[nH]1 1027833253 OVCIPSBPSMYSQL-STQMWFEESA-N 301.350 -0.031 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN(Cc2n[nH]c(C)n2)C1 1030464206 KNOKGQMUGNBJMF-ZDUSSCGKSA-N 302.382 -0.489 30 20 DBED C#CCCN1CCO[C@@H](CNC(=O)[C@@H]2CCCCN2C(N)=O)C1 1035570830 CYAZUKWSCWXPFW-KBPBESRZSA-N 322.409 -0.240 30 20 DBED CC#CCN1CC[C@H]2CN(C(=O)CN3CCNC(=O)C3)CC[C@@H]21 1036792768 VENGWRXIRJENCH-GJZGRUSLSA-N 318.421 -0.636 30 20 DBED CC[C@H]1CN(C(=O)Cn2c(O)nnc2O)CC[C@H]1NCC#N 1037970449 SVRUVSTYSIGFCS-VHSXEESVSA-N 308.342 -0.570 30 20 DBED CO[C@H](C(=O)NC[C@]1(O)CCN(C(=O)C#CC2CC2)C1)C1CC1 1039595932 HIXVKVFYCCSRNN-DOTOQJQBSA-N 320.389 -0.096 30 20 DBED C=CCO[C@H](C)C(=O)NC[C@]1(O)CCN(C(=O)COC)C1 1040161162 KJVXTOLBLSWZHG-BXUZGUMPSA-N 300.355 -0.697 30 20 DBED C=CCCCC(=O)NC[C@]1(O)CCN(C(=O)[C@H]2CCNC2=O)C1 1040730621 ZRQCCBAOUKLYES-BLLLJJGKSA-N 323.393 -0.442 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CC[C@H]2C(N)=O)C1 1041973040 PDAFPWIZHPJSNJ-GHMZBOCLSA-N 309.366 -0.846 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)CCn2ccnc2)C1 1042043555 PVVBWKPLOQZMTB-UHFFFAOYSA-N 322.365 -0.835 30 20 DBED CO[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1NC(=O)c1cc[nH]n1 1042764511 QNTWCIHWOSPLGC-GHMZBOCLSA-N 313.321 -0.295 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)c2snnc2C)C1 1042802244 HMACVLMBVZDJGA-UHFFFAOYSA-N 322.390 -0.047 30 20 DBED C=C(C)CCC(=O)NCC1(O)CN(C(=O)[C@H]2CN(C)C(=O)N2)C1 1043314450 FZOLFMVUFXGJLB-LLVKDONJSA-N 324.381 -0.944 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)[C@@H](CC)N(C)C)C1 1043677375 HTTFEQCMXKRCQR-CYBMUJFWSA-N 309.410 -0.180 30 20 DBED C[C@@H]1C[C@H](NCC#N)CCN1C(=O)CN1CCCS1(=O)=O 1044621929 CRZIRMPIOZLOOT-VXGBXAGGSA-N 314.411 -0.485 30 20 DBED C=CCCC1(C(=O)N2CC(O)(CNC(=O)c3nc[nH]n3)C2)CC1 1044782987 TYYMHIMVQRSHMT-UHFFFAOYSA-N 319.365 -0.146 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(O)(CNC(=O)[C@H](F)C(C)C)C1 1044959228 WJOKGUBJXXWDHP-OCCSQVGLSA-N 316.373 -0.003 30 20 DBED Cc1cc(OCC(=O)N2CC(O)(CNC(=O)[C@@H](C)C#N)C2)no1 1045550886 BHHXBRNDFXCWSL-VIFPVBQESA-N 322.321 -0.789 30 20 DBED N#CCN1C[C@H]2C[C@@H](NC(=O)CC3CS(=O)(=O)C3)C[C@H]1C2 1047096783 FTMWMFGAVDYYMY-CYZMBNFOSA-N 311.407 -0.086 30 20 DBED CN1CCN(CC(=O)N[C@@H]2C[C@H]3C[C@@H](C2)N(CC#N)C3)CC1=O 1047099174 UKNCTGUPDVIJMB-MJBXVCDLSA-N 319.409 -0.747 30 20 DBED C=CCCN1C[C@H]2C[C@@H](NC(=O)CN3CCNC(=O)C3)C[C@H]1C2 1047125623 GOCZSZRKZRYNPZ-RRFJBIMHSA-N 320.437 -0.037 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCS2(=O)=O)C1 1047633750 KSUKHVGZRMWOBD-SDDRHHMPSA-N 302.396 -0.747 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3nnc(C)n3C2)C1 1047638206 GWBXMXBKNNKOER-RDBSUJKOSA-N 319.409 -0.162 30 20 DBED C=CCCC(=O)N(C)[C@H]1CN(C(=O)CC(=O)N(C)C)C[C@@H]1O 1048539439 GYYOANUDEZNFAT-RYUDHWBXSA-N 311.382 -0.539 30 20 DBED CCCCOCC(=O)N(C)[C@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1O 1048597063 IOSZLWXVCLJWHP-AGIUHOORSA-N 311.382 -0.007 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1049237849 WMOFFFFBPWGKFN-HCZIRCDUSA-N 320.389 -0.432 30 20 DBED C[C@H](NC(=O)CC(N)=O)[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 1050404020 MWGHVVKQAUAJHU-GXSJLCMTSA-N 317.349 -0.271 30 20 DBED CC#CCN1CCOC[C@@H]1CNC(=O)[C@@H]1COCCN1C(C)=O 1051251806 RTAYCWUIVILAPY-GJZGRUSLSA-N 323.393 -0.926 30 20 DBED CCn1ncnc1CNC[C@H]1CN(C(=O)[C@H](C)C#N)CCO1 1051494359 IBJYPFOSRWXCOY-NEPJUHHUSA-N 306.370 -0.225 30 20 DBED Cc1nccn1CC(=O)N1CC[C@H](N2CCN(CC#N)CC2)C1 1052117261 CJOJFKZMPKTXHU-HNNXBMFYSA-N 316.409 -0.066 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)[C@@]1(C)CCNC(=O)C1)CCO2 1053309029 VZHYMBXSYPKRHE-INIZCTEOSA-N 319.405 -0.161 30 20 DBED C[C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1CNC(=O)C#CC1CC1 1053479971 SWNLSVHIGZJWBM-TZMCWYRMSA-N 315.377 -0.098 30 20 DBED C#CCN1CC2(CC[C@@H](CNC(=O)[C@H]3CCC(=O)N3C)O2)C1 1053649329 JTSAANGGZCMSKX-QWHCGFSZSA-N 305.378 -0.410 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)c3cnn(CC)n3)CO2)C1 1053795146 HRWQQQVZPIELPL-GFCCVEGCSA-N 303.366 -0.106 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)[C@H]3CC(=O)N(CC)C3)CO2)C1 1053821086 UUSNZIIRAAYCIU-UONOGXRCSA-N 319.405 -0.162 30 20 DBED CCn1nc(C)c(C(=O)N[C@@H]2COC3(C2)CN(CC#N)C3)n1 1054025172 RXVZUBXDBZKOBW-NSHDSACASA-N 304.354 -0.297 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)[C@@H]1CN(C)C[C@H]1C 1057445532 YOHWTBKZFKRVDK-HUUCEWRRSA-N 323.437 -0.075 30 20 DBED CN1CCO[C@H](C(=O)N[C@@H]2CCN(c3ccncc3C#N)C2)C1 1058317041 NFDZIOLRAPHPNB-HIFRSBDPSA-N 315.377 -0.021 30 20 DBED C=C[C@@H](C)[C@H](C)C(=O)N(CCO)CCNC(=O)Cn1ncnn1 1058434939 APBVERALISIQCL-NEPJUHHUSA-N 324.385 -0.932 30 20 DBED CC[C@@H]1CCO[C@@H]1C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N 1058660431 AFXTWUODCYPENI-XQQFMLRXSA-N 311.382 -0.102 30 20 DBED C=CCOCC(=O)N1CC[C@@H](CCNC(=O)Cn2cnnn2)C1 1059334502 FSAUJSKGOJLTOP-GFCCVEGCSA-N 322.369 -0.770 30 20 DBED N#Cc1nccnc1N[C@H]1C[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 1059392254 VSSKHQCVUWGINM-NRPADANISA-N 301.310 -0.911 30 20 DBED C=CCOCC(=O)NCC[C@@H]1CCN(C(=O)Cn2ncnn2)C1 1059695529 NKTJIWUACCNWLU-GFCCVEGCSA-N 322.369 -0.770 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(CC1)CN(C(=O)[C@H](C)NC(N)=O)C2 1060985095 XCXWLTFCFZZDAY-QWRGUYRKSA-N 321.381 -0.346 30 20 DBED C#CCOCCC(=O)N1CCOC[C@H]1CNC(=O)c1ncc[nH]1 1061558891 VVKFCXLEHPZDKM-GFCCVEGCSA-N 320.349 -0.593 30 20 DBED N#Cc1ccc(N2C[C@@H]3C[C@H]2CN3C(=O)c2cnnc(O)c2)nn1 1062537653 GQVAFDCNHIXXEY-RYUDHWBXSA-N 323.316 -0.053 30 20 DBED CNC(=O)NCCC(=O)NC1(CNC(=O)C#CC2CC2)CCC1 1062974359 YBZPTBAKAGOEQZ-UHFFFAOYSA-N 320.393 -0.126 30 20 DBED Cn1nnc(C(=O)N2CCC[C@@H]2CNc2ccc(C#N)nn2)n1 1063544152 IPCQFSPDMMQEPG-SNVBAGLBSA-N 313.325 -0.412 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)[C@@H]2CCC(=O)NC2)CCC1 1063574768 GJHNSZNDNJUDDH-GHMZBOCLSA-N 306.366 -0.173 30 20 DBED CCn1nncc1C(=O)N[C@@H]1[C@H]2C[C@H]1N(c1ccnc(C#N)n1)C2 1064246084 GSONAHFQPSDFEZ-IMSIIYSGSA-N 324.348 -0.033 30 20 DBED Cn1nnc(C(=O)N[C@H]2[C@H]3C[C@H]2N(c2ccc(C#N)cn2)C3)n1 1064323813 AKBRQEFWGLJZCK-UMNHJUIQSA-N 310.321 -0.516 30 20 DBED CC(=O)NCC(=O)N1CCO[C@H](CNC(=O)C#CC(C)C)C1 1064775819 RYXWQGARXNJYHK-CYBMUJFWSA-N 309.366 -0.875 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CN(C(=O)c2cn(C)cn2)CCO1 1065046433 QCFPNKAPEYGPEJ-MNOVXSKESA-N 305.338 -0.463 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)[C@@H]2CCN(C)C2=O)CCO1 1065479915 CZJUXTOAURXQMH-QWHCGFSZSA-N 323.393 -0.226 30 20 DBED Cc1cnn(CC(=O)NC[C@@H]2CN(C(=O)[C@@H](C)C#N)CCO2)c1 1065557789 VGXBDZFZOJMCGJ-QWHCGFSZSA-N 319.365 -0.305 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H](CNC(=O)COC)C1 1065633607 QSFPGXZVQXUWQG-XQQFMLRXSA-N 312.366 -0.433 30 20 DBED N#Cc1ccc(NC[C@@H]2CN(C(=O)c3nc[nH]n3)CCO2)nn1 1066638183 OGHKKMSDOXSUDY-SNVBAGLBSA-N 314.309 -0.581 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCCN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 1067447450 NSQBLWXCMLIWMQ-UWVGGRQHSA-N 323.353 -0.949 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](CNC(=O)c3cnccn3)C2)nc1 1067644929 GKXRWYUDNFKRPA-OCCSQVGLSA-N 324.344 -0.030 30 20 DBED N#Cc1cncc(NCC2CC(NC(=O)[C@H]3COC(=O)N3)C2)n1 1067846035 RNXMRNMEWDXKOX-NWGYLPEXSA-N 316.321 -0.237 30 20 DBED C=CCCCC(=O)N1CCOC2(C1)CN(C(=O)CNC(N)=O)C2 1068447693 RQAZFGYJGNWKSP-UHFFFAOYSA-N 324.381 -0.549 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1COC2(C1)CN(C(=O)CCN(C)C)C2 1069007494 GNOKABTYVFBZED-NEPJUHHUSA-N 308.382 -0.416 30 20 DBED C=C(C)CN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H]2CCC(=O)N2)C1 1069903424 WCLYFQXCYXUGNE-UPJWGTAASA-N 318.381 -0.526 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CCCN(C(=O)c2cc(=O)n(C)o2)C1 1070662416 PLQQGSIVLBHVKN-NXEZZACHSA-N 306.322 -0.141 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)c4cnn(C)c4)C[C@@]3(C1)O2 1070758457 BUSGIMZZFXASAJ-IIAWOOMASA-N 300.362 -0.031 30 20 DBED C=CCCOCC(=O)N1CCC[C@@H](NC(=O)[C@@H]2CCC(=O)N2)C1 1070901179 NCTHBINWBHTUEU-OLZOCXBDSA-N 323.393 -0.035 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CN(C(=O)COC(C)C)C[C@@H]1C 1071750098 OSSZDTAHSAMMFT-STQMWFEESA-N 323.393 -0.486 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CCN(C(=O)Cn2ncnn2)CC1(C)C 1073485627 XPROFEIPLMMMOD-GHMZBOCLSA-N 319.369 -0.424 30 20 DBED C#CCCN1CCC2(C1)CN(C(=O)C[C@@H]1CC(=O)NC1=O)C2 1073492159 XGRVCGWURGIBBZ-LBPRGKRZSA-N 303.362 -0.403 30 20 DBED C#CCOCCC(=O)N1CC[C@H](NC(=O)CC(N)=O)[C@H](C)C1 1073850157 XPSOLSKKVKPLCB-NEPJUHHUSA-N 309.366 -0.745 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)CCc3cn(C)nn3)C[C@H]21 1074418935 BXHMCNOETMPWCQ-HUUCEWRRSA-N 317.393 -0.317 30 20 DBED C[C@@H](CCNC(=O)c1c[nH]c(C#N)c1)NC(=O)[C@@H]1CNC(=O)N1 1076216728 MVQJUXIUANHQBX-KWQFWETISA-N 318.337 -0.808 30 20 DBED C#CCOCCC(=O)N[C@@H](C)CCNC(=O)CCn1ccnn1 1076283652 DTNURLMMUSRBGV-ZDUSSCGKSA-N 321.381 -0.281 30 20 DBED C=CCN1C[C@@H]2CCN(C(=O)C3CC4(C3)NC(=O)NC4=O)[C@@H]2C1 1076351103 RATWXWKVPUBFLK-BYHRKAOISA-N 318.377 -0.307 30 20 DBED CC(C)C#CC(=O)N[C@@H](C)CCNC(=O)c1nnc(O)nc1O 1077578347 YCVUBEYRBSCQBS-VIFPVBQESA-N 321.337 -0.433 30 20 DBED C[C@@H](CCNC(=O)c1ccn2nnnc2c1)NC(=O)[C@@H](C)C#N 1077713096 FECJWYREHMGZHE-UWVGGRQHSA-N 315.337 -0.091 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)C2(N3CCOCC3)CCC2)C1 1077917680 FSWAMYQDRVGVJF-HUUCEWRRSA-N 321.421 -0.574 30 20 DBED C=CCOCC(=O)N(CC)C1CN(C(=O)c2nnn(C)c2C)C1 1079490446 PHJDNBROHJFPFT-UHFFFAOYSA-N 321.381 -0.001 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CO)(NC(=O)c2ccncn2)CC1 1080960063 BMIUIVDNBXGDLX-LLVKDONJSA-N 317.349 -0.280 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2ccnn2C)C1 1081321153 MCCSTINBJOUZHX-WCQYABFASA-N 306.366 -0.065 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)CC(C)(C)O)C[C@H]1O 1081347411 VWTIGVFHHUNUFN-NWDGAFQWSA-N 314.382 -0.715 30 20 DBED C=CC(C)(C)CC(=O)N1C[C@@H](O)[C@H](CNC(=O)CC(N)=O)C1 1081369131 WAMXLFCPWCYSDD-GHMZBOCLSA-N 311.382 -0.600 30 20 DBED C=CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1c[nH]c(C(N)=O)c1 1083276687 QLXHVNCSTBTULF-QWHCGFSZSA-N 304.350 -0.175 30 20 DBED CC(C)(C)N1C[C@@H](C(=O)N[C@@H]2CN(CC#N)C[C@@H]2O)CC1=O 1083504981 WUVMQOJWBDXFIT-TUAOUCFPSA-N 308.382 -0.682 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)c2ccc3nc(O)[nH]c3n2)C1 1083730470 BLECPJGLWILUKW-NEPJUHHUSA-N 315.333 -0.538 30 20 DBED C#CCCN1CC[C@@H]1CN(C)C(=O)C1CC2(C1)NC(=O)NC2=O 1085868729 XZIWTMSNXROFEP-BWBHSNQOSA-N 318.377 -0.469 30 20 DBED C=CCN[C@@H]1CN(C(=O)c2cnn[nH]2)C[C@H]1c1cnn(C)c1 1086986053 SOBAVCMFJVJATC-WCQYABFASA-N 301.354 -0.078 30 20 DBED N#CCN1C[C@H]2CC[C@H]1[C@@H]1CN(C(=O)Cn3cncn3)C[C@H]21 1087410898 QNMZMWXYLKXXSU-SYQHCUMBSA-N 300.366 -0.030 30 20 DBED C=C(C)CCN1CC[C@@H](NC(=O)CN2CCOCC2)[C@H](O)C1 1090204105 MTUJIBRJLABMCV-HUUCEWRRSA-N 311.426 -0.164 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)CC2CS(=O)(=O)C2)[C@H](O)C1 1090372044 PFIHVGCZOZTVIW-CHWSQXEVSA-N 316.423 -0.451 30 20 DBED C#CCN1CC[C@H](NC(=O)Cn2cnc3c2CCCC3)[C@H](O)C1 1090436124 NPEKOPVAMOOCMB-GOEBONIOSA-N 316.405 -0.054 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2c(OC)ccnc2O)[C@@H](O)C1 1090731788 WJCKQBGZHMINBB-MNOVXSKESA-N 305.334 -0.406 30 20 DBED CC(=O)N[C@@H](C)C(=O)NC[C@H]1C[C@@H](N=c2cc[nH]c(C#N)n2)C1 1091309554 QRULFYHZAPJUPZ-ZMLRMANQSA-N 316.365 -0.399 30 20 DBED CCC(=O)N[C@H](C)C(=O)N1CCN(c2ccc(C#N)nn2)CC1 1093200645 VIBPEFOAOPRXDN-LLVKDONJSA-N 316.365 -0.088 30 20 DBED Cn1nccc1COCC(=O)NCCN=c1cc[nH]c(C#N)n1 1093945283 ZLNQBEBCHIRABZ-UHFFFAOYSA-N 315.337 -0.751 30 20 DBED C=CCCN1CC(n2cc(CNC(=O)c3cn(C)nn3)nn2)C1 1094288087 FIUQCPWRIFIIQF-UHFFFAOYSA-N 316.369 -0.231 30 20 DBED C=C(C)CN1CC(N2C[C@@H](NC(=O)C3=COCCO3)CC2=O)C1 1094694067 WTRTXZDZYZHJHD-LBPRGKRZSA-N 321.377 -0.148 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)C34CCN(CC3)C4)CC2=O)C1 1094806314 MFSVPCADJHPGDO-ZDUSSCGKSA-N 318.421 -0.331 30 20 DBED N#Cc1ccc(NCCCNC(=O)C[C@@H]2NC(=O)NC2=O)nc1 1094869208 YDDRJCSUBCLDAY-JTQLQIEISA-N 316.321 -0.530 30 20 DBED CN1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC#N)S1(=O)=O 1096143836 GFQLMTBELGWZKG-NOOOWODRSA-N 312.395 -0.735 30 20 DBED CC(=O)N(C)CC(=O)N[C@@H]1CCCN(c2ccnc(C#N)n2)C1 1096169378 XRCBDTAJZNOZSV-GFCCVEGCSA-N 316.365 -0.088 30 20 DBED N#Cc1c(F)cccc1N1CCN(CCNC(=O)C(N)=O)CC1 1096304452 OBHDSLDLJMGSML-UHFFFAOYSA-N 319.340 -0.579 30 20 DBED C[C@@H](CNC(=O)C[C@H]1CCNC1=O)Nc1cnc(C#N)cn1 1098098240 WMNGTPITQCZTCE-VHSXEESVSA-N 302.338 -0.209 30 20 DBED Cc1cc(CC(=O)NC[C@H](C)N=c2cc[nH]c(C#N)n2)n(C)n1 1098155120 XAILPQGDYDJXKM-NSHDSACASA-N 313.365 -0.029 30 20 DBED COCC(=O)N(C)CC(=O)NC[C@@H](C)Nc1cncc(C#N)n1 1098329869 QDCKNOAZLPXDHT-SNVBAGLBSA-N 320.353 -0.630 30 20 DBED C#CCN(CCO)C1CCN(C(=O)c2cn(C)ccc2=O)CC1 1098423918 KUPIDIUGUGBKOW-UHFFFAOYSA-N 317.389 -0.083 30 20 DBED C[C@H](CCNC(=O)[C@H]1CCNC1=O)Nc1cnc(C#N)cn1 1099617409 UUBJEFIIMOZXNU-MWLCHTKSSA-N 302.338 -0.209 30 20 DBED C#CCCCC(=O)N[C@H]1CCN(CCS(C)(=O)=O)C[C@@H]1O 1099806713 FOLYZTMPZMUFKJ-STQMWFEESA-N 316.423 -0.614 30 20 DBED CC(C)C(C)(C)C(=O)N[C@@H]1CCN(CC(=O)NCC#N)C[C@H]1O 1099853258 MZGFPHCXUZVXNA-CHWSQXEVSA-N 324.425 -0.140 30 20 DBED CCN(C)CCC(=O)N[C@H]1CCN(CC#CCOC)C[C@H]1O 1100063705 BOTWKBUUHYEWGO-LSDHHAIUSA-N 311.426 -0.471 30 20 DBED CCS(=O)(=O)CC(=O)NCCN(C)c1cncc(C#N)n1 1100148077 LDTYXXSDULAGGR-UHFFFAOYSA-N 311.367 -0.665 30 20 DBED CCN1C[C@H](C(=O)NCCN(C)c2nccnc2C#N)CC1=O 1100384044 XDDAFZUAROCKFB-LLVKDONJSA-N 316.365 -0.231 30 20 DBED CCN(CCNC(=O)[C@H]1CCC(=O)N1)c1ccc(C#N)nn1 1100467053 HTBJVKRFSXJGON-LLVKDONJSA-N 302.338 -0.431 30 20 DBED CCN(CCNC(=O)[C@H](C)CC(N)=O)c1ccc(C#N)nn1 1100676468 JVMXKXRKAPIZPC-SNVBAGLBSA-N 304.354 -0.198 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CN(C(=O)[C@@H]3CCCO3)C[C@]2(C)C1 1101114244 YSRDCRSHPIKQLF-KEYYUXOJSA-N 319.405 -0.305 30 20 DBED CCNC(=O)CC(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1C#N 1102546862 VAOASNZDAPZNRI-QWRGUYRKSA-N 314.349 -0.336 30 20 DBED Cc1ccc(C#N)c(N2CC[C@H](N(C)C(=O)CNC(N)=O)C2)n1 1102668745 SQFKEOSXAVEPAA-LBPRGKRZSA-N 316.365 -0.033 30 20 DBED CC[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)Nc1nc(C)cc(C#N)n1 1103278198 XIJOERHCNCCAJK-ONGXEEELSA-N 317.353 -0.355 30 20 DBED Cc1cc(C#N)nc(NC[C@H](C)CNC(=O)Cn2cnnn2)n1 1103851234 DMEAJWVULLAJFD-SECBINFHSA-N 315.341 -0.492 30 20 DBED CNC(=O)NCC(=O)N(C)CCN(C)c1cnc(C#N)cn1 1105592267 BEGZIFJWLHEWML-UHFFFAOYSA-N 305.342 -0.828 30 20 DBED CC(=O)NCC(=O)NC[C@@H](O)CNc1ccc(C#N)c(C)n1 1105712230 WOEQSHUMPRCJIE-LBPRGKRZSA-N 305.338 -0.713 30 20 DBED Cn1cc(CC(=O)NC[C@H](O)CN=c2cc[nH]cc2C#N)cn1 1105782168 IMPIKWLBBWPHEA-CYBMUJFWSA-N 314.349 -0.760 30 20 DBED Cc1ccnc(C(=O)NC[C@H](O)CN=c2cc[nH]cc2C#N)n1 1105804217 LTKPYXQRPHUUHZ-GFCCVEGCSA-N 312.333 -0.324 30 20 DBED N#Cc1cccnc1NC[C@@H](O)CNC(=O)CN1CCOCC1 1105829688 WUYTZAFQDYVTFW-ZDUSSCGKSA-N 319.365 -0.826 30 20 DBED N#Cc1cccnc1NC[C@H](O)CNC(=O)Cc1nc[nH]n1 1105957323 CLRCCAMKKCUUSE-SNVBAGLBSA-N 301.310 -0.797 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H](O)CNc1cncc(C#N)n1 1105970740 MPDOUSHHIQOCFU-CMPLNLGQSA-N 303.322 -0.724 30 20 DBED C[C@@H]1CCCN1CC(=O)NC[C@@H](O)CN=c1cc[nH]cc1C#N 1106108872 QXDWLZGZWUBWAS-OCCSQVGLSA-N 317.393 -0.252 30 20 DBED C[C@H](CCNc1nccnc1C#N)NC(=O)Cn1cnnc1O 1106287737 SOYRZMIESKQUML-SECBINFHSA-N 316.325 -0.348 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)CN2CC(=O)N(C)C2=O)C[C@H]1C 1106872232 LDGADKRRQZFWFH-CHWSQXEVSA-N 320.393 -0.412 30 20 DBED CN1CCC[C@@H]1C(=O)NC/C=C\CN=c1cc[nH]c(C#N)n1 1107117326 RERKUPBDCTXIBY-ZZKXABKFSA-N 300.366 -0.051 30 20 DBED C[C@@H](CC(=O)NC/C=C\CNc1nccnc1C#N)NC(N)=O 1107350758 JDWWWMILXQJSAS-ZMWSMAPVSA-N 317.353 -0.121 30 20 DBED C#CCN1CC[C@@]2(CNC(=O)Cn3c(O)nnc3O)CCC[C@@H]12 1107619256 SPJVBIUVUQVDSO-IAQYHMDHSA-N 319.365 -0.317 30 20 DBED C[C@H](CN=c1cc[nH]cc1C#N)NC(=O)CC1CS(=O)(=O)C1 1107995692 MZMAIDQZKRJDDF-SNVBAGLBSA-N 322.390 -0.274 30 20 DBED COCC#CCN1CCO[C@@](C)(CNC(=O)c2cnn[nH]2)C1 1108044924 XGCCGAAXASKLTC-AWEZNQCLSA-N 307.354 -0.725 30 20 DBED CC#CCN1CCO[C@](C)(CNC(=O)c2nnc(O)nc2O)C1 1108051894 RBIVYZBDTKPZLK-CQSZACIVSA-N 321.337 -0.873 30 20 DBED C=CCN1CCO[C@@](C)(CNC(=O)[C@H]2CCS(=O)(=O)C2)C1 1108058114 SQLVERLWPKCIEA-JSGCOSHPSA-N 316.423 -0.186 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CC(=O)N(C2CN(Cc3cnon3)C2)C1 1108528807 ZAORNBFKXXTUMM-ZJUUUORDSA-N 318.337 -0.869 30 20 DBED C[C@H](CN(C)c1ccnc(C#N)n1)NC(=O)C(C)(C)C(N)=O 1109125678 WARRAFITRDQKEY-SECBINFHSA-N 304.354 -0.199 30 20 DBED CN(CCCN=c1cc[nH]c(C#N)n1)C(=O)[C@@H]1CCC(=O)NC1 1109664060 GOMPWNBODHQPPE-LLVKDONJSA-N 316.365 -0.443 30 20 DBED CC(=O)NCC(=O)N[C@@H]1[C@H]2C[C@H]1N(c1cnc(C#N)cn1)C2 1109671088 SOGBKGPRZCAHNK-DRCTWCGVSA-N 300.322 -0.822 30 20 DBED N#Cc1nccnc1N1CC[C@@](O)(CNC(=O)[C@H]2CCCO2)C1 1111030942 ACOIVJSRFMYWSZ-IUODEOHRSA-N 317.349 -0.415 30 20 DBED N#Cc1nccc(N2CC[C@](O)(CNC(=O)c3cocn3)C2)n1 1111040137 YHXZJFAGMLVTJD-AWEZNQCLSA-N 314.305 -0.293 30 20 DBED CN(CCCN(C)c1cncc(C#N)n1)C(=O)Cn1cncn1 1112087075 JCWTYGCKECNRIX-UHFFFAOYSA-N 314.353 -0.075 30 20 DBED CC(C)(O)CC(=O)NC[C@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1112717522 KVKHCIKVTHLULK-JQWIXIFHSA-N 319.365 -0.577 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)c2cc(=O)n(C)o2)CC1 1112803964 DADGOJQHXIDEKL-LLVKDONJSA-N 322.365 -0.573 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)C2(C(F)F)CC2)CC1 1112850079 WJEQEISAZPRYAO-UHFFFAOYSA-N 300.309 -0.184 30 20 DBED C[C@H](N=c1cc[nH]c(C#N)n1)[C@@H](C)NC(=O)COCCN(C)C 1113096260 IZPVXVXWTFPULB-NWDGAFQWSA-N 320.397 -0.347 30 20 DBED C[C@@H](CNC(=O)[C@@H]1COCCO1)N(C)c1cncc(C#N)n1 1113502401 ZOGUYUSCABPUBQ-JQWIXIFHSA-N 305.338 -0.295 30 20 DBED C[C@@H](CNC(=O)C[C@H]1CCNC1=O)N(C)c1nccnc1C#N 1113755532 FIULYEHEZRITFN-WDEREUQCSA-N 316.365 -0.185 30 20 DBED CN1CCC[C@@H](N2C[C@H]3[C@H](NC(=O)CSCC#N)[C@H]3C2)C1=O 1113897150 POEAGNDDHBFMON-CZXHOFHRSA-N 322.434 -0.090 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CCC(=O)NC1)N(C)c1ccc(C#N)nn1 1113961808 WSFNHNINEVQYPR-WDEREUQCSA-N 316.365 -0.185 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)Cc3ccon3)[C@H]2C1 1114079345 GTQWINZZWRVEMQ-RYUDHWBXSA-N 302.334 -0.987 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)c3cc(=O)n(C)cn3)[C@H]2C1 1114422454 BTUAXYRRICCMOB-JYAVWHMHSA-N 316.361 -0.910 30 20 DBED O=C(C#CC1CC1)NC[C@H]1[C@@H]2CN(c3ccc4nnnn4n3)C[C@H]12 1114544549 PLKQRMOKOVAUSA-XYYAHUGASA-N 323.360 -0.269 30 20 DBED N#CCNC(=O)CN1C[C@@H]2C(NC(=O)CC3=CCOCC3)[C@H]2C1 1114786028 ZPURBFLJONNAIN-STQMWFEESA-N 318.377 -0.591 30 20 DBED C[C@@H](CCCNc1ccc(C#N)nn1)NC(=O)Cn1cnnn1 1114839049 PPNDTPGYZLXETE-JTQLQIEISA-N 315.341 -0.268 30 20 DBED Cc1nc[nH]c1C(=O)NC1[C@H]2CN(CC(=O)NCC#N)C[C@H]12 1115356495 KQBAXGSGJXMMJD-UWVGGRQHSA-N 302.338 -0.982 30 20 DBED N#Cc1cncc(NCCCOCCNC(=O)CC(N)=O)n1 1115395483 GSNMPVOKQIFOMT-UHFFFAOYSA-N 306.326 -0.842 30 20 DBED N#Cc1nccnc1NCCCOCCNC(=O)c1nc[nH]n1 1115417662 YAZRPLIFKWNEJM-UHFFFAOYSA-N 316.325 -0.285 30 20 DBED C#CCNC1(CNC(=O)CN2CCNC(=O)C2)CCCCC1 1115663214 IXAJGNDUNBRTRR-UHFFFAOYSA-N 306.410 -0.540 30 20 DBED C[C@@H](CN(C)C(=O)c1cn(C)nn1)N=c1cc[nH]c(C#N)n1 1115703131 SRMJFVOYBCPFTA-VIFPVBQESA-N 300.326 -0.529 30 20 DBED C[C@H](CNC(=O)C(=O)N1CCC(C#N)CC1)S(C)(=O)=O 1117434659 XUFNVKYQIKDZRI-SECBINFHSA-N 301.368 -0.702 30 20 DBED CS(=O)(=O)C1(C(=O)N2CCN(CC#N)CC2)CCOCC1 1117712272 FAZRYDHLULYHNJ-UHFFFAOYSA-N 315.395 -0.752 30 20 DBED C#CCN(C(=O)NC[C@H]1CC[C@@H](N)C1)[C@@H]1CCS(=O)(=O)C1 1120567442 KCGGBWFUROZBTO-YNEHKIRRSA-N 313.423 -0.054 30 20 DBED N#Cc1c[nH]ccc1=N[C@H](CO)CNC(=O)[C@H]1CCCCO1 1121455480 QHUFUSYNIDSWRY-GXTWGEPZSA-N 304.350 -0.167 30 20 DBED Cn1ccc(C(=O)NC[C@H](CO)Nc2ncccc2C#N)n1 1121581497 QJENWSICLDPSDD-LLVKDONJSA-N 300.322 -0.110 30 20 DBED C=CCNC(=O)[C@H](C)NC1CC2(CC(NC(=O)C(N)=O)C2)C1 1121668290 RUUXLKZPSXFMER-YMPWGHJTSA-N 308.382 -0.821 30 20 DBED COCCNC(=O)[C@@H](C#N)C(=O)CCCN1C(=O)CCC1=O 1122707421 JVPFDFNFMGCNEP-JTQLQIEISA-N 309.322 -0.613 30 20 DBED CNC(=O)CC(=O)N[C@H]1CCCN(c2nccnc2C#N)[C@@H]1C 1123537136 FSKPIZNYCCYCOY-MNOVXSKESA-N 316.365 -0.042 30 20 DBED CN(C[C@H](O)CNc1ccc(C#N)nn1)C(=O)[C@H]1CCCN1C 1124208495 XDLICZIZHHCMBU-CHWSQXEVSA-N 318.381 -0.326 30 20 DBED CN(C[C@H](O)CNc1cncc(C#N)n1)C(=O)c1cnnn1C 1124271501 LIDGLTNPSNVURJ-SNVBAGLBSA-N 316.325 -0.978 30 20 DBED CO[C@H](C(=O)N(C)C[C@H](O)CN=c1cc[nH]c(C#N)n1)C1CC1 1124289783 JKYOJTUSBUKVSS-RISCZKNCSA-N 319.365 -0.574 30 20 DBED CN(C[C@@H](O)CNc1ccc(C#N)nc1)C(=O)C(C)(C)C(N)=O 1124553844 BTMFBNQTKUPSRQ-LBPRGKRZSA-N 319.365 -0.304 30 20 DBED CN(C(=O)CNC(N)=O)C1CC(Nc2ccc(C#N)nn2)C1 1126847839 XQRYODRYIOWZAL-UHFFFAOYSA-N 303.326 -0.582 30 20 DBED Cc1cc(C#N)nc(N2CC=C(CNC(=O)C(N)=O)CC2)n1 1127769462 QNZLMYHRWUYJJA-UHFFFAOYSA-N 300.322 -0.605 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1ccnn1C(F)F 1128227921 LSROSQLTLKSLBG-UHFFFAOYSA-N 301.297 -0.100 30 20 DBED CNC(=O)CCCC(=O)N1C[C@H](n2ccnn2)[C@H](NCC#N)C1 1129798407 UDZFUFNWEFNXCM-NEPJUHHUSA-N 319.369 -0.941 30 20 DBED C#CCN[C@@H]1CN(C(=O)CCCC(=O)NC)C[C@@H]1n1ccnn1 1129798459 WCTDSXJELXTNLZ-OLZOCXBDSA-N 318.381 -0.831 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@H](C)NC(C)=O)C[C@H]1c1cncn1C 1130908274 DTOZYPKWNIUIPG-IACUBPJLSA-N 317.393 -0.538 30 20 DBED COc1cccc(CCC(=O)NCCNCC(=O)NCC#N)c1 1131250360 NWLZVGGQLYSAAU-UHFFFAOYSA-N 318.377 -0.027 30 20 DBED C#CCNC(=O)CN1CCNC(=O)CCN(C(=O)C(C)C)CC1 1131325637 OKIZNVOATXAZGE-UHFFFAOYSA-N 322.409 -0.958 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1cnc2cnccc2c1 1131382973 YRNJKGIZPIMOFO-UHFFFAOYSA-N 312.333 -0.411 30 20 DBED C=C[C@H](CC)CC(=O)NCCNCC(=O)N1CCNC(=O)C1 1132660151 JOFVTKWCZSLYRI-GFCCVEGCSA-N 310.398 -0.747 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)[C@]2(C)CCC(=O)NC2)C1=O 1132719687 WXXISZMUGZQZJH-MLGOLLRUSA-N 322.409 -0.605 30 20 DBED C=CCNC(=O)CNC[C@@H]1CN(C(=O)CC(=O)NC)CC[C@H]1C 1132773615 NJFGVYKHGRACEU-CHWSQXEVSA-N 324.425 -0.501 30 20 DBED CC(C)C#CC(=O)N1CC[C@H](C)[C@@H](CNCC(=O)NC(N)=O)C1 1132809240 NEGIUQPVJTUHMD-STQMWFEESA-N 322.409 -0.085 30 20 DBED C#CCNC[C@H]1CN(C(=O)CN2CCC(=O)NC2=O)CC[C@@H]1C 1133234583 TXEHHQFUKGWSMX-STQMWFEESA-N 320.393 -0.364 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)CNC(=O)CC 1133946039 QBGRWZDMXNUJBX-RYUDHWBXSA-N 310.398 -0.865 30 20 DBED C=C(C)CN[C@@H](C)C[C@H](C)NC(=O)CNC(=O)CNC(C)=O 1134770684 PYZASFQCOBJBBI-RYUDHWBXSA-N 312.414 -0.312 30 20 DBED COCC#CCNCCNC(=O)c1ccc(CNC(C)=O)o1 1135397239 MOJOIMANAKLEAL-UHFFFAOYSA-N 307.350 -0.115 30 20 DBED CC#CCN[C@@H](C)C[C@@H](C)NC(=O)CN1CCC(=O)NC1=O 1135894131 XWWSUXJIEQUSHW-NWDGAFQWSA-N 308.382 -0.176 30 20 DBED COCC#CCN1CCC2(C1)CN(C(=O)[C@@H]1CC(=O)N(C)C1)C2 1147658522 VMMQXSPUHAHMNE-CQSZACIVSA-N 319.405 -0.351 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1ncoc1-c1ccon1 1147995075 XZCXPZZSYUYKHS-UHFFFAOYSA-N 317.305 -0.602 30 20 DBED CN(C)C(=O)CN1CCCO[C@@H](CNC(=O)C#CC2CC2)C1 1149694630 QRQNWUQDWAUEFS-AWEZNQCLSA-N 307.394 -0.305 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)c1ccnc(O)c1 1152736226 AVKVXPQNTCDXMZ-LLVKDONJSA-N 319.365 -0.133 30 20 DBED C=CCO[C@H](C)C(=O)NCCNC[C@H](C)CS(C)(=O)=O 1153160269 PSTIIVYJQJJWHE-NWDGAFQWSA-N 306.428 -0.036 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)c1cnc(C)cn1 1154304868 VHWKUBPVTBVNTD-LBPRGKRZSA-N 303.366 -0.368 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)NCCCNC(=O)c1ncc[nH]1 1157633552 YBKIWDCSZPIUKE-JTQLQIEISA-N 322.369 -0.481 30 20 DBED N#CCNC(=O)CNCCCNC(=O)[C@H]1C[C@@H]2CCCCN2C1 1158039742 UBVZBRAYQONALR-KBPBESRZSA-N 321.425 -0.404 30 20 DBED C#CCN1CCC(CNC(=O)C[C@@H]2CCNC2=O)(COC)CC1 1162299996 ARRYXGQLEOOPOP-AWEZNQCLSA-N 321.421 -0.009 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)[C@@H]2CCC(=O)N2C)C1=O 1164157772 AWPGSOJULGKMJK-OLZOCXBDSA-N 322.409 -0.510 30 20 DBED COCC#CCNCC1(CCNC(=O)[C@H]2COC(=O)N2)CC1 1164352077 PDKYWPHYVHPQBT-GFCCVEGCSA-N 309.366 -0.379 30 20 DBED CCc1c(C(=O)NCCCNCC(=O)NCC#N)ccn1C 1166662548 VMMPHUWTDAUUEH-UHFFFAOYSA-N 305.382 -0.063 30 20 DBED COCC#CCNCC1(CCNC(=O)CCn2cnnn2)CC1 1167520058 CBMHGMGMVHIRGC-UHFFFAOYSA-N 320.397 -0.411 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)[C@H](NC(C)=O)C(C)C 1171643118 BUNHUJNQXHIXCX-TZMCWYRMSA-N 324.425 -0.619 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)[C@@H]1CCCN1C(C)=O 1171643639 PLGLMUNNLUHIAT-OCCSQVGLSA-N 322.409 -0.769 30 20 DBED NC(=O)NC(=O)CNCCCNC(=O)CC#Cc1ccccc1 1176768154 JURKPPAFBNXOJT-UHFFFAOYSA-N 316.361 -0.281 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2cc(C)nn2C)[C@H]1C 1178217387 ZZESKEUSDMRAPL-STQMWFEESA-N 317.393 -0.329 30 20 DBED C#CCN[C@H]1CCN(C(=O)[C@H](C)NS(=O)(=O)CC)[C@H]1C 1178753396 MGLCWLUPRSCVIX-SRVKXCTJSA-N 301.412 -0.474 30 20 DBED C=CCOCCN[C@H]1CCN(C(=O)[C@H]2CN(C)C(=O)N2)[C@H]1C 1179300423 NGTXPYYALGCHJH-RWMBFGLXSA-N 310.398 -0.208 30 20 DBED C[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@@]1(C)CNCC(=O)NCC#N 1182917544 NSJIAMUYKHJWAZ-QMTHXVAHSA-N 319.369 -0.868 30 20 DBED CC#CCNC[C@H]1CCN(C(=O)CN2CCOCC2=O)C[C@@H]1C 1184578713 WHIICVVQTGZPOD-LSDHHAIUSA-N 321.421 -0.057 30 20 DBED N#CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3cn[nH]c3)[C@@H]2C1 1186959129 PICMLPQZDBITMR-CMPLNLGQSA-N 302.338 -0.804 30 20 DBED CN(CC(=O)NCC#N)[C@@H]1CCN(C(=O)CCn2cccn2)C1 1188907090 UOIDRQBBYQDVKR-CYBMUJFWSA-N 318.381 -0.554 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2nnn(C)c2C)C1 1189500024 LRMWEOYCPPHUST-GFCCVEGCSA-N 320.397 -0.428 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(CC(=O)Nc2ccon2)C[C@H]1O 1192805422 YWEITVJGRHBNRT-VXGBXAGGSA-N 320.349 -0.566 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)CN(C)CCc2ccccc2)C1 1196222709 XYUAJQBWQLBGEU-IAGOWNOFSA-N 315.417 -0.045 30 20 DBED C#CCNC(=O)[C@H](C)N1CCCN(C(=O)c2ccnnc2)CC1 1197254713 MCOCMPIBKOBTCL-ZDUSSCGKSA-N 315.377 -0.238 30 20 DBED C#CCOCCC(=O)N1CCC(NCC(=O)NCC=C)CC1 1200513523 GCOJLLMHIXJKNZ-UHFFFAOYSA-N 307.394 -0.091 30 20 DBED COCC#CCNCC1CCN(C(=O)C[C@@H](C)NC(N)=O)CC1 1205279454 VCCUMDBLLHCYIE-CYBMUJFWSA-N 324.425 -0.089 30 20 DBED COCC#CCN[C@@H]1CCCN(C(=O)[C@@H]2CN(C)CCO2)C1 1207733902 AQCDIYLTUJCPQF-CABCVRRESA-N 309.410 -0.453 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CCCN(C(=O)c2cnn[nH]2)C1 1208486731 RNWGNDRQZZIHKD-WDEREUQCSA-N 306.370 -0.310 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)c2ncccn2)C1 1210243310 CXPJITIJZWTESG-GFCCVEGCSA-N 303.366 -0.027 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)Cc2ncc[nH]2)C1 1210327338 HTBKQAZOWCQLDF-CHWSQXEVSA-N 317.393 -0.329 30 20 DBED CC#CCN[C@H]1CCCN(C(=O)CS(=O)(=O)N(C)C)C1 1210899017 FJDPHXAZYARVRT-LBPRGKRZSA-N 301.412 -0.518 30 20 DBED COCC#CCN1C[C@@H](NC(=O)[C@@]2(C)CCOC2)[C@H](OC)C1 1213615525 BURGBWIXAJBAKB-FMKPAKJESA-N 310.394 -0.122 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)Cc2cncn2C)C[C@H]1C 1216382764 CFOVTSSWYLEMNB-TZMCWYRMSA-N 319.409 -0.299 30 20 DBED C=C(Br)CN1C[C@H](O)[C@H](NC(=O)CC(=O)NC)C1 1219508270 UWIGBTVYRAVQCH-BDAKNGLRSA-N 320.187 -0.808 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)c2cnnn2CC)C1 1219563116 DRLFJJLTLNASCL-YPMHNXCESA-N 309.370 -0.725 30 20 DBED C=CCC(C)(C)C(=O)N[C@@H]1CN([C@@H]2CCC(=O)NC2=O)C[C@@H]1O 1220434289 CGBSVOPSBLVHOI-UTUOFQBUSA-N 323.393 -0.445 30 20 DBED COCC#CCN1CCC(CNC(=O)[C@]2(C)CNC(=O)C2)CC1 1223904097 ONZDCGBGPYLZFW-KRWDZBQOSA-N 321.421 -0.009 30 20 DBED CC#CCN1CCC(CNC(=O)CN2CCC(=O)NC2=O)CC1 1225094576 HWEMKWYOWVHATG-UHFFFAOYSA-N 320.393 -0.220 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)[C@@H](C)NC(C)=O)CC1 1225910238 DIXAPDYXRYFXLV-LLVKDONJSA-N 310.398 -0.606 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)C2CN(C(C)=O)C2)CC1 1227030065 FZYOUCHJWRAQTO-UHFFFAOYSA-N 322.409 -0.653 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)c2ncn(C)n2)CC1 1227174482 YGWKWJUTMLMRGT-UHFFFAOYSA-N 306.370 -0.689 30 20 DBED C#CCO[C@H](C)C(=O)NC1CCN(Cc2nnn(C)n2)CC1 1227342648 SPONYBTUOOBNNE-LLVKDONJSA-N 306.370 -0.671 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NC1CCN([C@H](C)C(N)=O)CC1 1229486465 SPNZBOKWVAYXLC-RISCZKNCSA-N 324.425 -0.088 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)Cn1cncn1 1230077815 PUTVVOFYAWYRIP-CHWSQXEVSA-N 320.397 -0.403 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC[C@@H]1CN(CC)CCS1(=O)=O 1230455008 KKDFRGVDMJQQAX-TZMCWYRMSA-N 318.439 -0.061 30 20 DBED C[C@H](C#N)C(=O)N(C)C[C@@H]1CCN1CC(=O)N1CCOCC1 1231247102 KWOGLIFZQKTLKL-OLZOCXBDSA-N 308.382 -0.462 30 20 DBED CCN(CCC#N)C(=O)CN1CC[C@H]1CN(C)C(=O)CC(N)=O 1231398881 RVFOLFHDKXKPGD-LBPRGKRZSA-N 323.397 -0.843 30 20 DBED COCC#CCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCNC(=O)C1 1233610040 DHNVQSGBUYDNAH-ZIAGYGMSSA-N 307.394 -0.305 30 20 DBED C=CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)c1cn(C)nn1 1234089946 WMZPDQPXYRRZGG-LLVKDONJSA-N 306.370 -0.736 30 20 DBED N#CCNC(=O)COC(=O)c1cccc(CS(N)(=O)=O)c1 1251721077 QXPOSMZIYCSZLD-UHFFFAOYSA-N 311.319 -0.728 30 20 DBED N#CCNC(=O)CNC(=O)NC[C@@H](CO)CC1CCOCC1 1261100148 JQQDZBZVGYURJB-LBPRGKRZSA-N 312.370 -0.649 30 20 DBED CNC(=O)[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)C1 1261449476 CFEGVFZZELMXFU-SDDRHHMPSA-N 306.366 -0.221 30 20 DBED C=CCC1(O)CCN(C(=O)C(=O)NC[C@H](COC)OC)CC1 1262134761 GUZZRFOSHYWBLR-GFCCVEGCSA-N 314.382 -0.306 30 20 DBED C=CCN1CCC(NC(=O)C(=O)NCCCC(=O)OC)CC1 1321343508 GWUCCMTUPXJXMW-UHFFFAOYSA-N 311.382 -0.178 30 20 DBED COC(=O)[C@@H]1CCN(C(=O)C(=O)N2CC[C@](F)(C#N)C2)[C@@H]1C 1325460498 RQZSXTCYUGZMGN-RULNRJAQSA-N 311.313 -0.139 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@@H]1CCO[C@H](C)C1 1329082842 TUOBUWWWKWQVAO-GHMZBOCLSA-N 318.395 -0.613 30 20 DBED C#CCCOC(=O)NCCN1CCN(S(C)(=O)=O)CC1 1331332829 FZVQLIZVIXEKQP-UHFFFAOYSA-N 303.384 -0.687 30 20 DBED C=CCN(C(=O)C(=O)N1C[C@@H](C(=O)OC)C[C@@H](O)C1)C(C)C 1332355972 MCFOSFPQVPSTQP-NWDGAFQWSA-N 312.366 -0.208 30 20 DBED Cc1ccc(CNC(=O)C(=O)N2CC[C@@](F)(C#N)C2)c(=O)n1C 1343452813 NSUWQJWVPGLUEO-OAHLLOKOSA-N 320.324 -0.226 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)C(=O)NCc2cccc(F)n2)C1 1345869669 BTPRNLZKMNYWJE-CQSZACIVSA-N 306.297 -0.286 30 20 DBED C=CCOCCNC(=O)C(=O)N1CCO[C@@H]([C@H]2CCCO2)C1 1350029739 SGRXTMXKAVKSBK-CHWSQXEVSA-N 312.366 -0.288 30 20 DBED CN(Cc1cn[nH]c1)C(=O)CCn1cc(C#N)c(O)nc1=O 1362298344 PSLRYBGAXQGUCS-UHFFFAOYSA-N 302.294 -0.408 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CCN(C(=O)CCn2cnnn2)C1 1372089049 PDWHCDLZCNURGQ-MNOVXSKESA-N 305.342 -0.718 30 20 DBED CNC(=O)NCC(=O)N[C@@H]1CC12CCN(C(=O)[C@H](C)C#N)CC2 1385839413 QZOCPMWYTNDZNG-GHMZBOCLSA-N 321.381 -0.428 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CCN(C(=O)c2ccoc2CC(N)=O)C1 1385885764 JGQBJLIADARULG-UWVGGRQHSA-N 318.333 -0.202 30 20 DBED COCC(=O)N(C)CC(=O)NC[C@H](C)N(C)C(=O)[C@@H](C)C#N 1395105545 OUAMDANQWGMTFW-QWRGUYRKSA-N 312.370 -0.786 30 20 DBED C=C(Cl)CNC[C@@H]1CCN(C(=O)CS(=O)(=O)NC)C1 1399234939 HOVRTQYLRBADJQ-JTQLQIEISA-N 309.819 -0.274 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@@H](O)CNC(=O)CC2(O)CCC2)c1 1410095495 ORXHCYJQRYLNAZ-NSHDSACASA-N 320.349 -0.602 30 20 DBED COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N1CCC[C@H](C#N)C1 1413894747 IVOLJGKQOAZNQL-GARJFASQSA-N 310.354 -0.002 30 20 DBED N#Cc1ncccc1S(=O)(=O)N[C@H]1CCc2nnnn2CC1 1414294226 SNBMNPAMAOQUSX-VIFPVBQESA-N 319.350 -0.377 30 20 DBED COCCN1C[C@@H](C(=O)NCCN(C)C(=O)[C@H](C)C#N)CC1=O 1415516580 KQPJOEDHWDZTPV-NEPJUHHUSA-N 324.381 -0.784 30 20 DBED C=C(Cl)CNC[C@@H](O)CNC(=O)c1cnc2c(c1)nnn2C 1422329550 LIDGPWNZCKSBTB-SNVBAGLBSA-N 324.772 -0.204 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCN(C(=O)CCCC(N)=O)C2)C1 1428604892 JVLDTEYYIGXDID-NSHDSACASA-N 306.366 -0.137 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C(=O)[C@@H](C)CS(C)(=O)=O)CC1 1453483614 BNATZKVDITZHRK-QWRGUYRKSA-N 315.395 -0.502 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](C)CNC(=O)COCc1ccnn1C 1454654613 MDIFUROSKXCURZ-WDEREUQCSA-N 307.354 -0.283 30 20 DBED N#CC[C@]1(O)CCN(C(=O)NCCN2CCC3(C2)OCCO3)C1 1548656299 IAWGOTKJESKSGX-AWEZNQCLSA-N 324.381 -0.505 30 20 DBED N#Cc1nc(N2CCC(n3ccnn3)CC2)cnc1-c1nn[nH]n1 1581879662 STJMMXNKOFIUQW-UHFFFAOYSA-N 323.324 -0.039 30 20 DBED N#Cc1ncc(N[C@H]2CCCS(=O)(=O)C2)nc1-c1nn[nH]n1 1581882554 CSLITPXKFXPZFM-ZETCQYMHSA-N 320.338 -0.483 30 20 DBED C#CCN(CC(=O)O)C(=O)C(=O)Nc1cccc(C(N)=O)c1 1588394652 GMWMJEPQAJOAGH-UHFFFAOYSA-N 303.274 -0.730 30 20 DBED C[C@]1(C#N)CN(S(=O)(=O)N2CCC(C(=O)O)CC2)CCO1 1589181302 FGFVUCWJWMGZGQ-LBPRGKRZSA-N 317.367 -0.358 30 20 DBED N#Cc1ncc(N2CCC3(C2)OCCO3)nc1-c1nn[nH]n1 1592708363 LUDLOXCZRPNYDA-UHFFFAOYSA-N 300.282 -0.518 30 20 DBED CC1(NC(=O)[C@H]2C[C@@H]2C(=O)O)CCN(CC(=O)NCC#N)CC1 1594051186 AVUSGLRHERMNLS-QWRGUYRKSA-N 322.365 -0.682 30 20 DBED N#CCn1cc(NC(=O)C(=O)N2CCC[C@@H]2CC(=O)O)cn1 1601079281 STEQSHHUFVFNKL-SNVBAGLBSA-N 305.294 -0.189 30 20 DBED C=CCOC[C@@H](NC(=O)c1cnc(C(=O)OC)cn1)C(=O)O 1602913325 NNSUQOSEGBDTFK-SNVBAGLBSA-N 309.278 -0.351 30 20 DBED C[C@@H]1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)[C@@H](C(=O)O)C1 1604757317 MSLUENQANUNODY-OUAUKWLOSA-N 317.367 -0.359 30 20 DBED N#Cc1cccc([C@@H](C(=O)O)N2CCN(CC(N)=O)C(=O)C2)c1 1608214787 FIZQQSCNORARNX-AWEZNQCLSA-N 316.317 -0.687 30 20 DBED C[C@H](OC(=O)[C@H](C#N)Cc1ccc(-c2nn[nH]n2)cc1)C(N)=O 1609130886 YLAHFQDBNSWWSX-KWQFWETISA-N 314.305 -0.034 30 20 DBED N#C[C@@]1(F)CCN(S(=O)(=O)N2CCC(C(=O)O)CC2)C1 1610620171 YKPWBKHZXQXQBI-NSHDSACASA-N 305.331 -0.035 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@H](CNCC(=O)N(C)C)C1 1752940813 SVZDGLYJIPRWRE-CABCVRRESA-N 320.437 -0.390 30 20 DBED CC(C)C#CC(=O)N1CCC[C@H](N(C)CC(=O)NC(N)=O)C1 1752990827 JKRWQZIKUUMWTL-LBPRGKRZSA-N 308.382 -0.237 30 20 DBED CCc1cc(C(=O)NCC[C@@H](C)NCC(=O)NCC#N)n(C)n1 1753016051 JSOSNDWFSVDTNF-LLVKDONJSA-N 320.397 -0.280 30 20 DBED CN(CC#N)C[C@@H]1CCN(C(=O)CS(=O)(=O)N(C)C)C1 1753358447 OLWQCAPYEDRWNS-NSHDSACASA-N 302.400 -0.818 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1CC(NC(=O)[C@H](C)C#N)C1 1753373194 NQPIGKVRCGSRQK-ZJUUUORDSA-N 307.354 -0.653 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1CN(Cc2cnn(CC)n2)C1 1753402722 CLLHXJVUSOBLEF-LBPRGKRZSA-N 305.382 -0.116 30 20 DBED CN(C(=O)[C@@H]1[C@H]2COC[C@H]21)[C@H]1CCN(CC(=O)NCC#N)C1 1753442004 TWBLJBAYBMRLOR-CIQGVGRVSA-N 306.366 -0.949 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@H](N(CC)C(=O)c2nc[nH]n2)C1 1753459506 QEAHFILXHSCFHM-NEPJUHHUSA-N 318.381 -0.521 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H]1CN(Cc2nccn2C)CCO1 1753648374 FMGSZIMRCHTRMV-KBPBESRZSA-N 320.393 -0.225 30 20 DBED C#CCNC(=O)CN[C@@H](CNC(=O)Cn1cc(C)cn1)C(C)C 1753825195 DPKNAOXJZZMIOJ-AWEZNQCLSA-N 319.409 -0.329 30 20 DBED Cc1ncoc1C(=O)N[C@@H]1[C@H]2C[C@H]1N(CC(=O)NCC#N)C2 1754421315 CCXZPTRACIYQOC-HOSYDEDBSA-N 303.322 -0.575 30 20 DBED CC#CCN1CC[C@](O)(CNC(=O)C2(C(=O)NC)CCC2)C1 1754761655 ZWLXSNCAQQMPLB-HNNXBMFYSA-N 307.394 -0.521 30 20 DBED Cn1cnnc1CN1C[C@H]2CN(C(=O)CSCC#N)C[C@H]2C1 1754840823 HFIRALWJMJEISY-TXEJJXNPSA-N 320.422 -0.038 30 20 DBED C#CCCNCC1(NC(=O)[C@H](C)S(C)(=O)=O)CCOCC1 1755095253 BAUVISHDXBPLPL-LBPRGKRZSA-N 316.423 -0.302 30 20 DBED C[C@H](CNC(=O)COc1cccnc1)N(C)CC(=O)NCC#N 1755317949 MIYYREXCDZPZMI-GFCCVEGCSA-N 319.365 -0.463 30 20 DBED C#CCN[C@H](C)[C@H]1CN(C(=O)CCN2CCCC2=O)CCO1 1755448981 ZSBRCJXTNUUUJF-ZIAGYGMSSA-N 307.394 -0.162 30 20 DBED C#CCN(C)CCOCCNC(=O)c1cc(C)c(C(N)=O)cn1 1755543922 CNVJDTHHCWCGFF-UHFFFAOYSA-N 318.377 -0.200 30 20 DBED C=CC(C)(C)C(=O)N(C)C[C@@H](C)NCC(=O)N1CCNC(=O)C1 1755599421 IELIFJMSIUVPOZ-GFCCVEGCSA-N 324.425 -0.407 30 20 DBED C#CCNC[C@H](O)CN(C)C(=O)c1cccc(OCC(N)=O)c1 1755780332 CZERZNISNIWVLP-ZDUSSCGKSA-N 319.361 -0.794 30 20 DBED C#CCNC(=O)CC(=O)N(C)[C@@H](C)CNC(=O)C[C@@H](C)OC 1756009581 RBSNPRNVWAOAFH-NWDGAFQWSA-N 311.382 -0.486 30 20 DBED C#Cc1ccc(C(=O)N[C@H](CO)CNC(=O)c2cccnn2)cc1 1756545204 NALGOJYOEMOIOS-AWEZNQCLSA-N 324.340 -0.021 30 20 DBED Cc1cn(C)nc1C(=O)NC[C@@H](O)CN(C)C(=O)C#CC1CC1 1756662360 KOMZUYGYTIASCE-CYBMUJFWSA-N 318.377 -0.309 30 20 DBED C=C[C@@H](CC)CC(=O)N[C@@H]1CN(C(=O)CC(=O)NC)C[C@H]1O 1757025321 GHSKICGJHUAXMC-QJPTWQEYSA-N 311.382 -0.587 30 20 DBED C#CCN1CCC(C(=O)N2C[C@H](O)[C@H](NC(=O)CCC)C2)CC1 1757150531 OGCDNUKRSWUTJR-CABCVRRESA-N 321.421 -0.180 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)CC(=O)NC 1757308037 HSJCPXLNTVAHGK-XQQFMLRXSA-N 323.393 -0.227 30 20 DBED C#CCCCC(=O)N1CCC[C@@H](N(CCO)C(=O)C(N)=O)C1 1757463770 ZDKHXNRBDCIVJF-GFCCVEGCSA-N 309.366 -0.913 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N1C[C@H]2COC[C@@]2(C(=O)O)C1 1776215332 JXLWQPVNMJHYLM-NHCYSSNCSA-N 317.367 -0.644 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)NC[C@]1(C(=O)O)CCCOC1 1776398544 OBVFQSPEBPDCJW-CMPLNLGQSA-N 319.383 -0.064 30 20 DBED C=CCSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN 1795523431 IPSQURMAGGBPSF-GNXNZQSNSA-N 313.423 -0.546 30 20 DBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830061685 RYRHPSDNSHQIKJ-INIZCTEOSA-N 319.361 -0.374 30 20 DBED NCC(=O)N1CC2(CCCN2C(=O)C#CC2(O)CCCCC2)C1 1844282478 VNJJVUARYRYFKA-UHFFFAOYSA-N 319.405 -0.153 30 20 DBED C=CCN(C(=O)CNC[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 152670357 PRSAMOVXZGDBLO-STQMWFEESA-N 316.423 -0.043 30 20 DBED CC(C)[C@@H](C#N)N1CCN(C(=O)Cn2cnc(C#N)n2)CC1 156440560 FFQJCGINWZJUGO-GFCCVEGCSA-N 301.354 -0.158 30 20 DBED C#CCN1CCN(S(=O)(=O)c2cnn([C@@H]3CCOC3)c2)CC1 161509588 DNPMQWHKLNIYRO-CYBMUJFWSA-N 324.406 -0.216 30 20 DBED C=C(C)CN/C(N)=N/CCS(=O)(=O)N1CCSCC1 262533692 OQZJEMMZKOCPOY-UHFFFAOYSA-N 306.457 -0.155 30 20 DBED CN(C)[C@@]1(CNc2c(C#N)c(=O)n(C)c(=O)n2C)CCSC1 267087921 LXULHTOHWOINAJ-CQSZACIVSA-N 323.422 -0.195 30 20 DBED C=CCNC(=O)CNC(=O)[C@H](C)Sc1nnnn1C1CC1 271979145 LXSBWTSNAFWFEK-QMMMGPOBSA-N 310.383 -0.093 30 20 DBED N#Cc1cccc(CS(=O)(=O)NCC(=O)N2CCOCC2)c1 272045147 YPEWIPKPXQFGJG-UHFFFAOYSA-N 323.374 -0.164 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N(CCO)CCCOC 275587702 FQFPTRGFRMBFGD-UHFFFAOYSA-N 308.400 -0.372 30 20 DBED CCc1ccc(C#CC(=O)N2CCN(S(N)(=O)=O)CC2)cc1 292994939 INMUBIIXALVQFH-UHFFFAOYSA-N 321.402 -0.052 30 20 DBED C[C@@H](CN1CCOCC1)N/C(O)=N/Cc1nc(N(C)C)no1 328900107 ZIYBFVMZUKFQOL-JTQLQIEISA-N 312.374 -0.140 30 20 DBED COC(=O)CN1CCN(S(=O)(=O)N(C)C[C@@H](C)C#N)CC1 330404110 VRWZPFHFEFTMJM-NSHDSACASA-N 318.399 -0.887 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)NCCCN1CCC(O)CC1 330407454 GSEBWTONBNMSRR-GFCCVEGCSA-N 318.443 -0.098 30 20 DBED CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCN2C(=O)NC(=O)[C@@H]2C1 330706768 MBEWMRIUCWFKMD-ZETOZRRWSA-N 321.381 -0.335 30 20 DBED C=CCNC(=O)C/N=C(/O)N1CCO[C@@H](c2noc(C)n2)C1 330787763 PQWOXQCGPOQOCM-SNVBAGLBSA-N 309.326 -0.032 30 20 DBED Cn1cc(S(=O)(=O)NCC(=O)N[C@@H](C#N)C(C)(C)C)cn1 331222306 YUTRUHDRLWKWSD-JTQLQIEISA-N 313.383 -0.247 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N[C@H]2c3ccccc3C[C@H]2O)CCO1 336882593 CAUOLGFNCRWSLK-BNOWGMLFSA-N 323.374 -0.297 30 20 DBED CC(C)N1CCC[C@H](NS(=O)(=O)N2CCO[C@H](C#N)C2)C1 336956017 ZACNDLZWGQGRIV-QWHCGFSZSA-N 316.427 -0.082 30 20 DBED CN(C)C1(CN(C)S(=O)(=O)N2CCO[C@@H](C#N)C2)CCC1 337167629 CNDGXBNOQLKZMM-LBPRGKRZSA-N 316.427 -0.128 30 20 DBED Cn1ccc(=O)n(CCCNC(=O)c2cc(C#N)c[nH]2)c1=O 339309462 IDRKWGUXCGEXDY-UHFFFAOYSA-N 301.306 -0.433 30 20 DBED Cn1c(NC[C@@](C)(O)C(F)(F)F)c(C#N)c(=O)n(C)c1=O 340588752 LEYJEIDGYUBSNK-SNVBAGLBSA-N 306.244 -0.319 30 20 DBED N#Cc1ncn(CCNC(=O)N2C[C@@H]3[C@@H](C2)[C@H]2CC[C@H]3O2)n1 347630071 HFCSUKXWJRZKCP-DDHJBXDOSA-N 302.338 -0.031 30 20 DBED N#CCC1(O)CN(C(=O)CNC(=O)COc2ccccc2)C1 352197471 SIFJVZHJYNZMJG-UHFFFAOYSA-N 303.318 -0.331 30 20 DBED COCCN([C@H](C)C(N)=O)S(=O)(=O)c1cncc(C#N)c1 352268024 VJMXZYOMGYTPBI-SECBINFHSA-N 312.351 -0.536 30 20 DBED N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2ncc[nH]2)cc1 354202640 HVWNFVRMDZKQNI-UHFFFAOYSA-N 319.346 -0.124 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCN2C(=O)OC[C@@H]2C1 374463794 ZOBVQNOJLJXJBX-UWVGGRQHSA-N 302.356 -0.541 30 20 DBED C=CCN1CC[C@@H](N2CCC[C@H]2C(=O)NCC(=O)OC)C1=O 419355015 LREAUXCVWUCMHI-NWDGAFQWSA-N 309.366 -0.473 30 20 DBED C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NCCC#N 427651902 SAPUZUPKOJYBSY-SECBINFHSA-N 324.362 -0.518 30 20 DBED CN(CCN(C)c1c(C#N)c(=O)n(C)c(=O)n1C)CC(F)F 439124087 NAAPVIYIQPKLMU-UHFFFAOYSA-N 315.324 -0.411 30 20 DBED C[C@@H]1C(=O)NCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N 443076759 XGQCJRBSJKXGFP-MRVPVSSYSA-N 324.318 -0.025 30 20 DBED C#CCNC(=O)CN1CCN(C[C@@H](O)Cc2ccccc2)CC1 491070736 DXZIMZHYLAVKCX-KRWDZBQOSA-N 315.417 -0.043 30 20 DBED CN1CCC[C@@H](CN(C)S(=O)(=O)N2CCO[C@@H](C#N)C2)C1 554533806 QCGJRMSQNYKEOZ-OLZOCXBDSA-N 316.427 -0.271 30 20 DBED N#CCC(=O)N1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)CC1 566440998 YJJBLRKKRMXTSY-SGMGOOAPSA-N 307.350 -0.378 30 20 DBED N#Cc1ccc(OC[C@H](O)CN2CC[C@H](CO)[C@@H](O)C2)cc1 570884020 JGSABOATFUSEDY-FMKPAKJESA-N 306.362 -0.027 30 20 DBED COC(=O)c1ccc(N2CC[C@H](S(N)(=O)=O)C2)c(C#N)n1 574100585 UQVCRZNKRBFEBG-QMMMGPOBSA-N 310.335 -0.393 30 20 DBED Cn1ncc(C#N)c1N1CCN(C(=O)C(=O)NC2CC2)CC1 596083684 VCSXKVDLNXYORK-UHFFFAOYSA-N 302.338 -0.781 30 20 DBED CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)N1CCO[C@H](C#N)C1 597170321 NDWLESTWBKNTJW-ZYHUDNBSSA-N 315.395 -0.156 30 20 DBED C=CCOC[C@H](NC(=O)[C@H](C)NS(=O)(=O)CC)C(=O)OC 597606104 DNPBCDAZMJAUGI-UWVGGRQHSA-N 322.383 -0.825 30 20 DBED C=CCNC(=O)CNS(=O)(=O)c1ccc2c(c1)nnn2C 645642723 XWWMRAVLDOOQJH-UHFFFAOYSA-N 309.351 -0.451 30 20 DBED CNC(=O)CNC(=S)NN=Cc1ccc(-c2nn[nH]n2)cc1 736875827 ZHRHEJWJWDHIBR-UHFFFAOYSA-N 318.366 -0.589 30 20 DBED C#Cc1ccc(C(=O)N(C)C[C@@H](O)CN2CCOCC2)nc1 751431101 HAWGQEZZWFSEDA-CQSZACIVSA-N 303.362 -0.172 30 20 DBED Cc1oc(S(N)(=O)=O)cc1C(=O)OCC(=O)NCCC#N 754141692 JLNAUSKJICGGJX-UHFFFAOYSA-N 315.307 -0.578 30 20 DBED C=CCCC(=O)COC(=O)CNS(=O)(=O)c1cnn(C)c1 761380747 GXIKUGYSRIGUFA-UHFFFAOYSA-N 315.351 -0.223 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)C2(N(C)C)CCC2)CC1 763038263 IDPVXWMXTOABSG-UHFFFAOYSA-N 306.410 -0.636 30 20 DBED CNC(=O)[C@H](C#N)C(=O)CNC(=O)CNC(=O)OC(C)(C)C 777298330 XLOKSUVCJFNNCR-MRVPVSSYSA-N 312.326 -0.918 30 20 DBED C#CCOCCNC(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O 784551827 KPQJBCPUZLNZQC-GFCCVEGCSA-N 305.338 -0.526 30 20 DBED CCOC(=O)c1cc(C=NNC(=S)NCC(=O)NC)on1 793014192 XYMMBNVOMUSRLD-UHFFFAOYSA-N 313.339 -0.605 30 20 DBED N#C[C@H]1CNC[C@@H]1NC(=O)CNC(=O)NCc1ccc(F)cc1 843459305 DLKBXUICNOEWTG-AAEUAGOBSA-N 319.340 -0.147 30 20 DBED C#C[C@@H](NC(=O)NCCNS(=O)(=O)N(C)C)C(C)(C)C 854108688 GHBHBCFFIBDIGG-SNVBAGLBSA-N 304.416 -0.271 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCS(=O)(=NS(C)(=O)=O)CC1 854592950 VQKYBHZVEJUBME-LLVKDONJSA-N 324.424 -0.417 30 20 DBED COC(=O)COCCNC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 858833290 GRNHJNMCJWURLY-LBPRGKRZSA-N 310.354 -0.442 30 20 DBED C#CCCOC(=O)N[C@H]1CC(=O)N(CCN(C)CCOC)C1 867709033 DKXYSRKLXBXNEJ-ZDUSSCGKSA-N 311.382 -0.085 30 20 DBED N#C[C@@H]1CNC[C@@H]1NC(=O)c1ccc(CN2CCOCC2)o1 884250386 CYGBSZVMKBYZMK-YPMHNXCESA-N 304.350 -0.047 30 20 DBED C#CCN1CCC[C@@H](NC(=O)N[C@H]2CCc3nnnn3CC2)C1 889257097 JRQIHMWNKREPAZ-QWHCGFSZSA-N 317.397 -0.225 30 20 DBED COCCS(=O)(=O)CC(=O)O[C@@H](C)C(=O)N(C)CCC#N 915554523 FZILBJFBWLCKQS-JTQLQIEISA-N 320.367 -0.649 30 20 DBED C#CCN1CCC(C(=O)NCCCN(C)S(C)(=O)=O)CC1 919965641 FRXBOVNGXHOICR-UHFFFAOYSA-N 315.439 -0.271 30 20 DBED C[C@@H](NS(=O)(=O)N(C)CCC#N)[C@H]1CN(C)CCN1C 920022446 VPYRCSXJGNUORK-VXGBXAGGSA-N 303.432 -0.699 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@@H]1CCN(C(=O)CC(N)=O)C1 942980427 PVMYTUBVEBYRAG-UPJWGTAASA-N 323.393 -0.098 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)[C@@H](C)C1 943229084 BQLKZRNPSMSIHY-AAEUAGOBSA-N 318.377 -0.843 30 20 DBED C#CCCN1CC[C@H](NC(=O)CN2C(=O)CNC2=O)C[C@@H]1C 948013235 UNCOADQJIPIKBZ-RYUDHWBXSA-N 306.366 -0.469 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1C 948051770 GRTJVAXJBGXBHT-LPWJVIDDSA-N 323.393 -0.194 30 20 DBED N#Cc1cc(C(=O)NC[C@H]2CCN2C(=O)c2cnon2)c[nH]1 949497063 DLKFFQJUIKJSPT-SNVBAGLBSA-N 300.278 -0.086 30 20 DBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CCN1C(=O)C(N)=O 950193268 UIWHQMUBACWAAY-WOPDTQHZSA-N 309.366 -0.440 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)[C@H]1CCCO1 950755103 DGAMXXIZCJTGCL-QLFBSQMISA-N 319.405 -0.020 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@]2(CCCN(C(=O)CC(N)=O)C2)C1 952944480 FSFIVFULXRPKMN-IAQYHMDHSA-N 306.366 -0.137 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@]2(CCN(C(=O)C3(C(N)=O)CC3)C2)C1 953210732 XMMZYLIGFNZUFN-XHDPSFHLSA-N 318.377 -0.137 30 20 DBED C=C(C)CN1C[C@@H](O)[C@@H](CNC(=O)c2ccn(C)c(=O)c2)C1 958184145 WGDXUXCOZCNHIT-UONOGXRCSA-N 305.378 -0.016 30 20 DBED C#CCCN1C[C@@H](O)[C@@H](CNC(=O)c2cc3ncccn3n2)C1 958493052 CSLCHYXSGLLHJI-GXTWGEPZSA-N 313.361 -0.225 30 20 DBED Cc1cc(C(=O)N(C)[C@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)n(C)n1 958674406 JOPKCEAEYDPUPZ-XDTLVQLUSA-N 319.365 -0.468 30 20 DBED Cc1nc(C(=O)N(C)[C@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)co1 958831554 UJXJSQACSOUVCY-ZHAHWJHGSA-N 306.322 -0.214 30 20 DBED C#CCN1C[C@H]2C(NC(=O)[C@@H]3CCc4nnc(O)n4C3)[C@@H]2C1 960661252 ZAMXCHQFJCCXSH-GMTAPVOTSA-N 301.350 -0.774 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H]2CN(C(=O)c3nc[nH]n3)C[C@@H]21 960878680 VNZURXDZFGXOJY-KXUCPTDWSA-N 304.310 -0.984 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)C2(F)CCOCC2)C1 967159400 QLGRQLDVSFCKOR-AXFHLTTASA-N 313.329 -0.647 30 20 DBED N#Cc1ccc(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@H]3CC34CC4)C2)[nH]1 970917677 RQNCNSYIULNWDD-RTXFEEFZSA-N 314.345 -0.012 30 20 DBED C#CCCN1C[C@H]2CC[C@H]1CN2C(=O)CN1C(=O)CN(C)C1=O 972091333 JYOORUDSXFJHTG-QWHCGFSZSA-N 318.377 -0.421 30 20 DBED N#Cc1cc(C(=O)N2C[C@H]3[C@H](NC(=O)Cn4ccnc4)[C@H]3C2)c[nH]1 976764715 JZEUKPSMRREQMX-NHAGDIPZSA-N 324.344 -0.030 30 20 DBED Cc1cnc2nc(C(=O)NCC3[C@@H]4CN(CC#N)C[C@@H]34)nn2c1 978312241 QLFCPLLOCJFSON-RYUDHWBXSA-N 311.349 -0.136 30 20 DBED C#CCCN1C[C@@H]2C(CNC(=O)c3cn(C)c(=O)cn3)[C@H]2C1 978544208 SYVWMMUUOWIWCQ-CHWSQXEVSA-N 300.362 -0.289 30 20 DBED C#CCN1CCC(C(=O)NC[C@H]2[C@@H]3CN(CC(N)=O)C[C@H]23)CC1 979090217 OVBIMYFAHXRGQB-QKDCVEJESA-N 318.421 -0.889 30 20 DBED N#Cc1c[nH]c(C(=O)NC2CCC(NC(=O)C(N)=O)CC2)c1 980114719 VGZYPCROXGGDHJ-UHFFFAOYSA-N 303.322 -0.471 30 20 DBED C#CCN1CCN(C(=O)N2CCN(C(=O)[C@@H](C)OC)CC2)CC1 985823248 UPKSRIMGFYPNCP-CQSZACIVSA-N 322.409 -0.464 30 20 DBED C[C@H]1C[C@@H](NCC#N)CN1C(=O)CCc1nnc(O)nc1O 989086739 IKPWRRFNBWPUFJ-DTWKUNHWSA-N 306.326 -0.682 30 20 DBED C=CCCn1cc(C(=O)N2CC(NC(=O)c3cn[nH]c3)C2)nn1 990320900 NREABGFGRFPPRV-UHFFFAOYSA-N 315.337 -0.168 30 20 DBED CN1C[C@H](C(=O)NC2CN(C(=O)c3cc(C#N)c[nH]3)C2)CC1=O 993783599 DWTXPMVWTBUZFB-SNVBAGLBSA-N 315.333 -0.695 30 20 DBED C#CCN[C@@H]1CCCN(C(=O)c2ccc(S(N)(=O)=O)o2)C1 999597899 RNTOLEWLTYDYTA-SNVBAGLBSA-N 311.363 -0.246 30 20 DBED C[C@H](NC(=O)c1cnnc(O)c1)C1CN(C(=O)[C@H](C)C#N)C1 1006257246 LWTTUMJSJKKTAD-BDAKNGLRSA-N 303.322 -0.081 30 20 DBED N#Cc1ccc(C(=O)N2CCN(C(=O)[C@H]3COC(=O)N3)CC2)[nH]1 1011017103 UWXLDYWBGVMTGD-LLVKDONJSA-N 317.305 -0.721 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(C(=O)c2cnnn2C)CC1 1011075922 CJVVQOMVNOFDDH-YPMHNXCESA-N 319.365 -0.309 30 20 DBED NC(=O)CC(=O)N1CCO[C@H]2CCN(C(=O)C#CC3CC3)C[C@H]21 1019879266 HMTYKTPROIPOIW-OLZOCXBDSA-N 319.361 -0.897 30 20 DBED C#CCN1CCC(C(=O)NC2CN([C@H]3CCN(C)C3=O)C2)CC1 1031435036 NTXVETHZHKRLKS-HNNXBMFYSA-N 318.421 -0.637 30 20 DBED C#CCCN1CCO[C@@H](CNC(=O)[C@@H]2CN(C(C)=O)CCO2)C1 1035593747 ZOOASTWBJLZFIL-GJZGRUSLSA-N 323.393 -0.926 30 20 DBED COc1cc(OC)nc(C(=O)N[C@H]2[C@H]3C[C@H]2N(CC#N)C3)n1 1037466394 BAALAHJNDAWKFG-SBMIAAHKSA-N 303.322 -0.180 30 20 DBED COc1ccc(C#N)cc1CN1C[C@H]2C[C@H]1[C@@H]2NC(=O)C(N)=O 1037563403 CTLSSWNXSJKRCO-MBNYWOFBSA-N 314.345 -0.259 30 20 DBED C=CCN1CC[C@@H](N2CC[C@H]2CNC(=O)c2nc[nH]n2)C1=O 1038824955 DWMDPIRVKBCDAP-WDEREUQCSA-N 304.354 -0.604 30 20 DBED Cc1nn[nH]c1C(=O)N1CC[C@@](O)(CNC(=O)C#CC2CC2)C1 1039685598 QDZAJCQZAAJQQL-OAHLLOKOSA-N 317.349 -0.780 30 20 DBED C=C(C)CCC(=O)NC[C@]1(O)CCN(C(=O)C2(C(N)=O)CC2)C1 1039986275 BEIVSSWKUBQHOH-OAHLLOKOSA-N 323.393 -0.312 30 20 DBED C=CCOCC(=O)N1CC[C@@](O)(CNC(=O)Cc2ncc[nH]2)C1 1040694865 OVADQSJEELUZSP-OAHLLOKOSA-N 322.365 -0.766 30 20 DBED CCCN(C)CC(=O)N1CC[C@](O)(CNC(=O)[C@@H](C)C#N)C1 1040759058 DNZIIFXWZVXXPQ-WFASDCNBSA-N 310.398 -0.433 30 20 DBED CC(=O)NC(C)(C)C(=O)N1CC[C@](O)(CNC(=O)[C@H](C)C#N)C1 1040764677 XOCXRTMXSZCAEC-BMIGLBTASA-N 324.381 -0.860 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)Cc3cccnc3)C2)nn1 1040990245 OIWQTDOTPTTYNZ-ZIAGYGMSSA-N 324.344 -0.348 30 20 DBED C#CCN1CC[C@H]2CCN(C(=O)Cn3nc(C)n(C)c3=O)C[C@@H]21 1042333539 PKZUKFPORGUNSX-KBPBESRZSA-N 317.393 -0.554 30 20 DBED C#CCCCCC(=O)N1CC(O)(CNC(=O)c2cn(C)nn2)C1 1042887961 VFODTFIYOBKTRX-UHFFFAOYSA-N 319.365 -0.688 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]3C=C[C@H]2O3)C1 1043616293 FTAGKMWOJMWJLQ-MGPQQGTHSA-N 318.373 -0.177 30 20 DBED CC#CCCCC(=O)NCC1(O)CN(C(=O)Cc2cnc[nH]2)C1 1045003093 MBFDHERQSFOUFM-UHFFFAOYSA-N 318.377 -0.165 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)[C@H](C)c2cnn(C)c2)C1 1045551656 KOGAZWCNAQYXKA-GHMZBOCLSA-N 319.365 -0.627 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)CCc2cnn(C)c2)C1 1045560757 ZIFPSMSXXAWQQT-NSHDSACASA-N 319.365 -0.798 30 20 DBED N#Cc1cnc(N[C@H]2C[C@@H](CNC(=O)[C@H]3CNC(=O)N3)C2)cn1 1046562649 VNVRQPJTDLDOEZ-WCABBAIRSA-N 315.337 -0.664 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1C[C@@H](CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 1046593639 ZTVFJCFEMBSUSA-MGAJPHDKSA-N 313.361 -0.197 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)c2nc(OC)cc(OC)n2)C1 1047429178 OCVCUNOEJQROQN-QWRGUYRKSA-N 322.365 -0.203 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCn3cncc3C2)C1 1047433132 YLAVUXJKVPUKOM-QEJZJMRPSA-N 302.378 -0.418 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cc(=O)c(OC)c[nH]2)C1 1047458670 ZIALOANNJZEZEX-AAEUAGOBSA-N 307.350 -0.313 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCc2ccon2)C1 1049075468 PSJDNWIGEXXHRJ-WXHSDQCUSA-N 320.349 -0.203 30 20 DBED C=CC(C)(C)C(=O)N(C)[C@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1O 1049176015 FUQAGYRZEDJRHE-UWVGGRQHSA-N 307.354 -0.339 30 20 DBED CC(C)[C@H](C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)C#N)C1)N(C)C 1049395750 XWGRLTRXLDIFFN-XDQVBPFNSA-N 324.425 -0.238 30 20 DBED N#CCN1CCOC[C@H]1CNC(=O)[C@H]1CCCN(C(N)=O)C1 1051014818 DZKRTHHGWBYRAO-NWDGAFQWSA-N 309.370 -0.882 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)c1cc(=O)c(OC)co1 1051026825 WUMPPOGSFXJNGP-LLVKDONJSA-N 306.318 -0.288 30 20 DBED CC#CCN1CCOC[C@@H]1CNC(=O)[C@@H]1CCCN1C(N)=O 1051268766 NELOSRIDEHHKJX-STQMWFEESA-N 308.382 -0.630 30 20 DBED C#CCCN1CCN([C@H]2CCN(C(=O)Cn3cncn3)C2)CC1 1052115188 USMJXLNYVQPGTG-HNNXBMFYSA-N 316.409 -0.480 30 20 DBED N#CCN1CC2(C1)CN(C(=O)[C@H]1CN3CCC[C@@H]3CO1)CCO2 1053262847 FCZQKSBKOMBTIF-ZIAGYGMSSA-N 320.393 -0.714 30 20 DBED C#CCN1CC2(C1)CN(C(=O)Cn1ccc(C)cc1=O)CCO2 1053452980 KYXJZMAEWGUQBM-UHFFFAOYSA-N 315.373 -0.297 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)[C@@]3(C)CNC(=O)C3)CO2)C1 1053879676 XEMYCFTYJVHOLU-IUODEOHRSA-N 305.378 -0.505 30 20 DBED N#Cc1cnc(N2CCN(C(=O)CCn3cncn3)CC2)cn1 1055729992 XZJOTNKDPDFKQO-UHFFFAOYSA-N 312.337 -0.321 30 20 DBED C=CCOCC(=O)N1CCC[C@@](CO)(NC(=O)c2cnon2)C1 1056071496 BXEBSYAYHMDBQX-CQSZACIVSA-N 324.337 -0.645 30 20 DBED C[C@H](C#N)C(=O)N[C@]1(CO)CCCN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1056098018 YILZFPKTXWIMMJ-XRMRDTNMSA-N 321.377 -0.492 30 20 DBED C=CC(C)(C)C(=O)NCCN(CCO)C(=O)CS(C)(=O)=O 1057127027 ZQMVEJPJPZPFJN-UHFFFAOYSA-N 320.411 -0.820 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCN(CCO)C(=O)[C@H]1CCOC1 1057145396 AUTBUMMXOIVUIU-SWLSCSKDSA-N 314.382 -0.713 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)Cc1cncnc1 1057454057 HTDYFGHKJJNJOC-UHFFFAOYSA-N 306.366 -0.078 30 20 DBED COC(=O)[C@H]1C[C@H]1C(=O)NCCN(CCO)C(=O)C#CC(C)C 1057516976 FZHAQMSLSJVJOI-OLZOCXBDSA-N 324.377 -0.608 30 20 DBED C=C[C@](C)(O)CC(=O)NCCN(CCO)C(=O)c1ncc[nH]1 1057518983 GWVYQRDPZMTPTH-AWEZNQCLSA-N 310.354 -0.713 30 20 DBED N#Cc1cncc(N2CCC(NC(=O)Cc3nc[nH]n3)CC2)n1 1057900702 NFECNTGLPDXINP-UHFFFAOYSA-N 312.337 -0.206 30 20 DBED O=C(C#CC1CC1)NCCN(CCO)C(=O)c1cncnc1O 1057927115 YMHCQIPSWZQCIC-UHFFFAOYSA-N 318.333 -0.854 30 20 DBED C[C@@]1(C(=O)N[C@@H]2CCN(c3cncc(C#N)n3)C2)CNC(=O)C1 1058494320 PDJFDOOJGYQDAO-BMIGLBTASA-N 314.349 -0.431 30 20 DBED N#Cc1nccnc1N1CC[C@H](NC(=O)[C@@H]2CCNC2=O)C1 1058507756 MFNRYNGRJPPHGZ-VHSXEESVSA-N 300.322 -0.821 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)C(=O)NCC1CC1 1058587420 ZWKVUECCWLOXMT-UHFFFAOYSA-N 311.382 -0.584 30 20 DBED CN(C[C@H]1CCCN(C(=O)CC(N)=O)C1)c1ccnc(C#N)n1 1058681533 DKUPDLLGQDQLSA-LLVKDONJSA-N 316.365 -0.102 30 20 DBED C#CCNC(=O)CC(=O)N1CCOC[C@@H]1CNC(=O)CC1CC1 1061177243 ACQOVESGCNKBCL-ZDUSSCGKSA-N 321.377 -0.730 30 20 DBED CC(C)C#CC(=O)N1CCOC[C@H]1CNC(=O)[C@H]1COCCO1 1061322502 DXQPDQLQAGAXAV-ZIAGYGMSSA-N 324.377 -0.595 30 20 DBED C=CCOCC(=O)N1CCOC[C@H]1CNC(=O)Cn1ccnc1 1061682317 IMEMFHGYKMCLDP-CYBMUJFWSA-N 322.365 -0.571 30 20 DBED COCC1(C(=O)NC[C@H]2COCCN2C(=O)[C@H](C)C#N)CC1 1061703051 KKLKRRUTAKNGBR-NEPJUHHUSA-N 309.366 -0.084 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)CN1CCCC1=O 1061845106 CMXFXXDYGKQQHP-NWDGAFQWSA-N 322.365 -0.888 30 20 DBED C#CCOCCC(=O)NCC1(NC(=O)CCCC(N)=O)CCC1 1063042472 WDLCSIISNXWNDA-UHFFFAOYSA-N 323.393 -0.163 30 20 DBED N#Cc1nccnc1N1C[C@H]2C[C@H]1[C@@H]2NC(=O)Cn1cccn1 1064216641 KQYKDLHGMVXTRR-SCDSUCTJSA-N 309.333 -0.062 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)c2c[nH]c(=O)cn2)CCC1 1064254435 JIGKBTYZUZLTTM-SECBINFHSA-N 303.322 -0.302 30 20 DBED N#Cc1cncc(N2CC[C@@]3(CCN(C(=O)C(N)=O)C3)C2)n1 1064640683 OXENTUSDDLBUCJ-CQSZACIVSA-N 300.322 -0.738 30 20 DBED C=CCCC(=O)N1CCO[C@@H](CNC(=O)c2cnn(C)n2)C1 1064956152 RZXFNYJLJWUGBY-NSHDSACASA-N 307.354 -0.262 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CN(C(=O)c2cnn(C)c2N)CCO1 1065071942 SFFCVIOETXGMLB-NXEZZACHSA-N 320.353 -0.881 30 20 DBED O=C(Cc1cnoc1)NC[C@@H]1CN(C(=O)C#CC2CC2)CCO1 1065137598 XJDJUWHUDZVRFU-CQSZACIVSA-N 317.345 -0.026 30 20 DBED C#CCO[C@H](C)C(=O)N1CCO[C@@H](CNC(=O)COCC)C1 1065152598 MJMZPVTVXYZQTK-OLZOCXBDSA-N 312.366 -0.595 30 20 DBED C=CCOCC(=O)N[C@H]1CCCN(C(=O)CNC(N)=O)CC1 1065985008 KNJZYNLAOARUCP-NSHDSACASA-N 312.370 -0.645 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H]1CCCN(C(=O)CC(=O)NC)CC1 1066170795 YAEXQPPEUBNJAR-STQMWFEESA-N 323.393 -0.342 30 20 DBED N#Cc1nccnc1N1CCOC[C@@H]1CNC(=O)c1cnon1 1066496788 HIUOKGMTLLTYBL-VIFPVBQESA-N 315.293 -0.634 30 20 DBED N#Cc1cncc(NCC2CC(NC(=O)[C@@H]3CCNC3=O)C2)n1 1067875656 JSAOVTVNCNMFIH-RTYFJBAXSA-N 314.349 -0.209 30 20 DBED N#Cc1cccnc1NCC1CC(NC(=O)[C@H]2CNC(=O)N2)C1 1067883100 DNVMIGZMXSZJIV-QEWOUOOISA-N 314.349 -0.059 30 20 DBED C=C(C)CCC(=O)N1CC2(CN(C(=O)CNC(C)=O)CCO2)C1 1068280409 QSGALDCFNBPERE-UHFFFAOYSA-N 323.393 -0.081 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC2(C1)CN(C(=O)[C@H](C)C#N)CCO2 1068450955 CNKWAYKZTSDDSL-OLZOCXBDSA-N 319.361 -0.376 30 20 DBED CN(C(=O)[C@H]1COCCO1)C1CC(N=c2cc[nH]c(C#N)n2)C1 1069706847 JKEUQZFWHAGQKJ-HTAVTVPLSA-N 317.349 -0.413 30 20 DBED CC(=O)N[C@H](C)C(=O)NCC1(NC(=O)[C@@H](C)C#N)CCOCC1 1070230708 BVJUEYNBBTWQJZ-WDEREUQCSA-N 324.381 -0.548 30 20 DBED C=CCOCC(=O)N1CCC[C@@H](NC(=O)CCCC(N)=O)C1 1070554597 XZIFAVJWJIMVPQ-GFCCVEGCSA-N 311.382 -0.048 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CCCN(C(=O)CC(=O)NC)C1 1070653670 DGBZLBBEXHPKII-NWDGAFQWSA-N 309.366 -0.732 30 20 DBED C=CCOCC(=O)N[C@@H]1CCCN(C(=O)c2c[nH]c(=O)cn2)C1 1071198007 COBCGHBMTKJDHB-LLVKDONJSA-N 320.349 -0.307 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CCCN(C(=O)c2c[nH]c(=O)cn2)C1 1071198320 QYBDICFBYPWVSF-GFCCVEGCSA-N 314.345 -0.096 30 20 DBED C[C@@H]1CN(C(=O)CNC(=O)C2CC2)C[C@H]1NC(=O)C#CC1CC1 1071686851 AGXWMQKCSBVFBR-BXUZGUMPSA-N 317.389 -0.111 30 20 DBED C[C@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@@H]1NC(=O)C#CC1CC1 1072293570 GLUYTIXQWPOIJQ-JQWIXIFHSA-N 305.378 -0.126 30 20 DBED C[C@@H](C#N)C(=O)NC1(C)CCN(C(=O)[C@@H]2CCC(=O)N2)CC1 1073174652 PFUHVNHBJPJGRQ-QWRGUYRKSA-N 306.366 -0.078 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)[C@@H]2COCCN2CC)C1 1073670964 SSIIJOWMXUUFHQ-GJZGRUSLSA-N 309.410 -0.453 30 20 DBED C=CCCN1CCCO[C@H](CNC(=O)[C@@H]2CN(C)C(=O)N2)C1 1073726681 PCEGZRQTRAFSNF-OLZOCXBDSA-N 310.398 -0.207 30 20 DBED C=CC(C)(C)CC(=O)N1CCC(O)(CNC(=O)C(N)=O)CC1 1074599133 XJJAXXAADAOULP-UHFFFAOYSA-N 311.382 -0.456 30 20 DBED C=CCOCC(=O)NCC[C@H](C)NC(=O)[C@@H](COC)OC 1075919114 UFERSOORIZORFC-NWDGAFQWSA-N 302.371 -0.139 30 20 DBED C[C@@H](CCNC(=O)[C@H](C)N1CCOCC1)NC(=O)[C@@H](C)C#N 1077313971 SDDCULXIPDKJAT-AVGNSLFASA-N 310.398 -0.122 30 20 DBED C#CCOCCC(=O)N[C@@H](C)CCNC(=O)[C@@H]1CCC(=O)N1 1077638272 CJXSMKHVICDTRP-RYUDHWBXSA-N 309.366 -0.684 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)c2cn([C@@H]3CCOC3)nn2)C1 1077964286 WHEOVKNVQOCXEO-NQBHXWOUSA-N 307.354 -0.800 30 20 DBED COCc1nc(CC(=O)N[C@@H]2CN(CC#N)C[C@H]2O)cs1 1077968233 JSXCRGHFRRCJNH-GHMZBOCLSA-N 310.379 -0.483 30 20 DBED Cn1c(O)ncc(C(=O)N[C@H]2C[C@@H](NCC#N)C23CCC3)c1=O 1078697676 GGPNXDVBBYRJTM-MNOVXSKESA-N 317.349 -0.360 30 20 DBED CCN(C(=O)CNC(=O)C1CC1)C1CN(C(=O)[C@@H](C)C#N)C1 1079380730 AHYUSQFYTVGANW-JTQLQIEISA-N 306.366 -0.268 30 20 DBED C#CCCN1C[C@@H](NC(=O)[C@H](C)N2C(=O)CCC2=O)[C@H](C)C1 1079803253 NTNDVAJACCLQAJ-FRRDWIJNSA-N 305.378 -0.016 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(N(CC)C(=O)[C@@H]2CCNC2=O)C1 1080218231 WGGWXCWXZBGPFA-MLGOLLRUSA-N 323.393 -0.491 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCC(CO)(NC(=O)[C@H](C)C#N)CC1 1080980125 KWZUEMCONCDYQG-DOMZBBRYSA-N 323.393 -0.057 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)C(C)(C)F)C[C@H]1O 1081344855 VUVGPGMJGJSSKG-WDEREUQCSA-N 302.346 -0.127 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)c2cc[nH]n2)C[C@H]1O 1081441227 FZRXZQMGFZLINA-DGCLKSJQSA-N 304.350 -0.238 30 20 DBED C#CCCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)CCOCC#C)C1 1081487966 BFOVHIWCYQUGGB-HUUCEWRRSA-N 320.389 -0.235 30 20 DBED C=C(Cl)C(C)(C)C(=O)NC[C@H]1CN(C(=O)C(N)=O)C[C@@H]1O 1081513149 AYINDENSENQIGS-IUCAKERBSA-N 317.773 -0.814 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)c2c[nH]nc2[C@@H]2CCOC2)C1 1083674333 WDLUBEKQAJGUNC-BNOWGMLFSA-N 318.377 -0.288 30 20 DBED CN(C[C@@H]1CCN1[C@H]1CCNC1=O)C(=O)c1ccc(C#N)[nH]1 1085553598 QKKBFZJAFKFWOW-AAEUAGOBSA-N 301.350 -0.079 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2CCN(Cc3cnon3)C[C@@H]2O)[nH]1 1090204988 YDKQRZWGEAMILL-AAEUAGOBSA-N 316.321 -0.365 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2ccnn2CC(F)F)[C@H](O)C1 1090264838 IEQNHYCDVMUTBA-ZYHUDNBSSA-N 312.320 -0.054 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2cn(CCC=C)nn2)[C@H](O)C1 1090637842 LUGVEBPTCMMJHD-TZMCWYRMSA-N 303.366 -0.348 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2cc(C(N)=O)c[nH]2)[C@H](O)C1 1090675919 LOGJGLSENFBWLY-WCQYABFASA-N 304.350 -0.698 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2cnn3cc[nH]c23)[C@H](O)C1 1090763936 NXFJPZYIXFHUOE-CHWSQXEVSA-N 301.350 -0.149 30 20 DBED COC[C@H](C)C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@@H]1O 1091088515 GWUCBSLKMFYDGF-WCQGTBRESA-N 305.338 -0.704 30 20 DBED CC#CCN1C[C@@H]2CN(C(=O)Cn3cnnc3O)C[C@]2(C)C1 1091613760 NBWJSCUUOZAJBL-DOMZBBRYSA-N 303.366 -0.213 30 20 DBED CC(=O)NCC(=O)N[C@H]1CCN(c2ncccc2C#N)C[C@@H]1O 1092126478 NDEZASCXMJVDEE-STQMWFEESA-N 317.349 -0.855 30 20 DBED COCC(=O)NC[C@@]1(C)CN(c2ccnc(C#N)n2)CCO1 1092720021 ZTVJEBJZNRLWID-AWEZNQCLSA-N 305.338 -0.294 30 20 DBED COC(=O)NCC(=O)N[C@H]1[C@@H]2CN(c3ccc(C#N)nc3)C[C@@H]21 1093240343 UXWSGAYFKZQWKE-IMRBUKKESA-N 315.333 -0.140 30 20 DBED C#CCCCC(=O)NC1[C@@H]2CN(c3ccc4nnnn4n3)C[C@@H]12 1093257908 GMAGNWSJWMNSNA-GHMZBOCLSA-N 311.349 -0.126 30 20 DBED C=CCn1cc(C(=O)NCCNc2cc(C)nc(CO)n2)nn1 1094164164 GMPAEIGDYJRPGH-UHFFFAOYSA-N 317.353 -0.103 30 20 DBED COCC(=O)N[C@@H](C)C(=O)NCCNc1cncc(C#N)n1 1094185592 TYJQROBIWYDFIC-VIFPVBQESA-N 306.326 -0.973 30 20 DBED CC#CCN1CC(n2cc(CNC(=O)[C@@H]3CCOC3)nn2)C1 1094279241 DODWRXLKQDHBHU-GFCCVEGCSA-N 303.366 -0.189 30 20 DBED C=C[C@](C)(O)CC(=O)NCCCNc1nccn2nnnc12 1094384389 RFWJUDNHXQDYME-ZDUSSCGKSA-N 305.342 -0.235 30 20 DBED N#CCN1CC(N2C[C@@H](NC(=O)c3cncc(F)c3)CC2=O)C1 1094721361 AILPAOMCDNZENT-LBPRGKRZSA-N 317.324 -0.241 30 20 DBED N#CCN1CC(N2C[C@H](NC(=O)[C@H]3CCCCO3)CC2=O)C1 1094726914 DMUUDMLNJZGJTD-DGCLKSJQSA-N 306.366 -0.520 30 20 DBED CCn1cnc(C(=O)N[C@H]2CC(=O)N(C3CN(CC#N)C3)C2)c1 1094807661 DJDHPVYZORHKSU-NSHDSACASA-N 316.365 -0.559 30 20 DBED CCNC(=O)CC(=O)N1CC[C@H](N=c2cc[nH]c(C#N)n2)C1 1096937052 GOQSSGXJOFRLIF-JTQLQIEISA-N 302.338 -0.691 30 20 DBED C[C@H](C(=O)N[C@H]1C[C@@H](N=c2cc[nH]c(C#N)n2)C1)S(C)(=O)=O 1097264948 PCYVRXJYDVULIG-BBBLOLIVSA-N 323.378 -0.738 30 20 DBED C=CCN1CC[C@H](NC(=O)CNC(=O)c2ccoc2)[C@H](O)C1 1099848242 SYCFXOFHUHUAIP-QWHCGFSZSA-N 307.350 -0.253 30 20 DBED CN(CCNC(=O)c1ccc(=O)n(C)n1)c1ccc(C#N)nn1 1100095534 QXQVWXZNZURYED-UHFFFAOYSA-N 313.321 -0.692 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)CS(=O)(=O)C(C)C)[C@@H](O)C1 1100116378 WVLNMGOCIHCCAS-STQMWFEESA-N 318.439 -0.063 30 20 DBED CN(CCNC(=O)c1cn(C)c(=O)n1C)c1ccc(C#N)cn1 1100153346 IERGBSSSRNVDHO-UHFFFAOYSA-N 314.349 -0.143 30 20 DBED C=C(C)CCNC1CC(CNC(=O)Cn2cnc(C(N)=O)n2)C1 1100346873 ZQIYVKPNPZQMSE-UHFFFAOYSA-N 320.397 -0.172 30 20 DBED CCN(CCNC(=O)[C@H]1CN(C)C(=O)N1)c1nccnc1C#N 1100695938 DWBKNAGFOSTBRT-LLVKDONJSA-N 317.353 -0.686 30 20 DBED N#Cc1cnc(N2CC[C@H](CNC(=O)Cn3nccn3)C2)cn1 1101019067 HMUJIZSUTAGDFP-LLVKDONJSA-N 312.337 -0.418 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)c1cccc(=O)n1C 1101946139 BDHCVDNEYDHDOQ-UHFFFAOYSA-N 312.333 -0.347 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)c1cnc(O)n1C 1104157922 XDRUKPMABXITJZ-VIFPVBQESA-N 315.337 -0.313 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CC(=O)N(C)C1)CNc1cncc(C#N)n1 1104254338 FIRMBXHFUFDPIM-GHMZBOCLSA-N 316.365 -0.009 30 20 DBED Cc1nc(N2CCO[C@@H](CNC(=O)CC(N)=O)C2)ccc1C#N 1104305022 GQDSRRILMDLSRG-LBPRGKRZSA-N 317.349 -0.542 30 20 DBED Cc1ccc(C#N)c(N2CCO[C@H](CNC(=O)C(N)=O)C2)n1 1104344624 DOJDPHUXWQICDV-LLVKDONJSA-N 303.322 -0.932 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(n2cc(CNCC#N)nn2)C1 1105227624 QWQRYZWVJBAEIJ-CQSZACIVSA-N 304.354 -0.398 30 20 DBED C=CCNCc1cn(C2CN(C(=O)c3[nH]nnc3C)C2)nn1 1105294974 RNOLAMVZDGNRMW-UHFFFAOYSA-N 302.342 -0.323 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)CNC(=O)C2CC2)cn1 1105720840 ZHAJKPKGTMQANN-ZDUSSCGKSA-N 317.349 -0.632 30 20 DBED CC(=O)N[C@@H](C)C(=O)NC[C@H](O)CNc1nc(C)cc(C#N)n1 1105735301 ONUFXHHHOQCALF-CABZTGNLSA-N 320.353 -0.930 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)[C@@H]2CCCOC2)nn1 1105741214 BBFRMWOTYVTJPO-ZYHUDNBSSA-N 305.338 -0.336 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)CO[C@@H]2CCOC2)cn1 1105973563 ZKOYXABFLMZWQZ-ZIAGYGMSSA-N 320.349 -0.352 30 20 DBED CN1C(=O)CC[C@H]1C(=O)NC[C@H](O)CNc1ccc(C#N)cn1 1106053946 FCRUEMINZCBRSR-NEPJUHHUSA-N 317.349 -0.537 30 20 DBED CCN(CCNc1cncc(C#N)n1)C(=O)[C@@H]1COC(=O)N1 1106754376 MLLONSDPCCSZTN-JTQLQIEISA-N 304.310 -0.283 30 20 DBED N#Cc1c[nH]ccc1=NC/C=C/CNC(=O)[C@@H]1COCCO1 1107050707 JOSSUNORLOOKRQ-YUKKFKLSSA-N 302.334 -0.125 30 20 DBED N#Cc1nccnc1NC/C=C/CNC(=O)C[C@@H]1CCNC1=O 1107375416 RIWCMQSKLJHOID-GXFZAYBSSA-N 314.349 -0.041 30 20 DBED CNS(=O)(=O)CC(=O)N[C@H](C)CNc1ccc(C#N)cn1 1107781527 NMISLEZEFAURIO-SECBINFHSA-N 311.367 -0.581 30 20 DBED C[C@@]1(CNC(=O)c2cc(C#N)c[nH]2)CN(CC(N)=O)CCO1 1107851121 XSSUQCWIIZQRID-CQSZACIVSA-N 305.338 -0.808 30 20 DBED C[C@H](CNc1ccc(C#N)nn1)NC(=O)[C@@H]1CCCNC1=O 1107990035 LYEDURXJAGHGHY-MWLCHTKSSA-N 302.338 -0.209 30 20 DBED C[C@@H](CNc1cncc(C#N)n1)NC(=O)CNC(=O)C1CC1 1108264249 BFSIWUGKZPQMAU-VIFPVBQESA-N 302.338 -0.209 30 20 DBED COCC#CCN1CC(N2C[C@H](NC(=O)[C@H](C)OC)CC2=O)C1 1108516458 XFUCSBHUXCXCGJ-QWHCGFSZSA-N 323.393 -0.928 30 20 DBED CNC(=O)C1(C(=O)N[C@H](C)CN(C)c2ccc(C#N)nn2)CC1 1109018236 LUGLAOGGAHAQPE-SNVBAGLBSA-N 316.365 -0.185 30 20 DBED CNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H](C)C#N 1109080016 ISEUZHWLWQVVAG-VLEAKVRGSA-N 307.354 -0.677 30 20 DBED C[C@@H](CN(C)c1cncc(C#N)n1)NC(=O)[C@H]1CCCNC1=O 1109127923 CMXPWVDFFBVEMF-JQWIXIFHSA-N 316.365 -0.185 30 20 DBED N#Cc1nc(=NC[C@@H](NC(=O)[C@H]2COCCO2)C2CC2)cc[nH]1 1109797271 ASOHXTCYIHGRRU-VXGBXAGGSA-N 317.349 -0.508 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cccnn1 1109872494 QBHHDDZBTCDQEB-XBFCOCLRSA-N 313.361 -0.439 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H](C)CC(N)=O 1110894312 ZZDYDDIVRYOQGY-DGAVXFQQSA-N 307.394 -0.131 30 20 DBED CN(C)CCC(=O)NC[C@]1(O)CCN(c2ccc(C#N)cn2)C1 1111125360 GUUNLFXJQMKPJJ-MRXNPFEDSA-N 317.393 -0.038 30 20 DBED N#Cc1cncc(N2[C@H]3CC[C@@H]2C[C@H](CNC(=O)C(N)=O)C3)n1 1111271661 APOHACAIYUDWNE-YHPBZONMSA-N 314.349 -0.303 30 20 DBED C#CCNC(=O)CC(=O)N(CCO)CCNc1nccc(C)n1 1111454748 SRJHNYVGYGIMST-UHFFFAOYSA-N 319.365 -0.843 30 20 DBED N#Cc1nc(=NCCN(CCO)C(=O)Cc2cnoc2)cc[nH]1 1111542465 AEBVDOZWFIJQDW-UHFFFAOYSA-N 316.321 -0.766 30 20 DBED Cc1cc(C#N)nc(NC2(CNC(=O)CNC(N)=O)CCC2)n1 1111762503 ZBGYSFNKUFQMLG-UHFFFAOYSA-N 317.353 -0.224 30 20 DBED N#Cc1ccc(N2CCC[C@H](NC(=O)CNC(N)=O)CC2)nn1 1111966379 NKSNVPCRALQAMQ-JTQLQIEISA-N 317.353 -0.508 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@]12CCC[C@H]1CN(C(=O)COC)C2 1112220716 JRPYBBQUHFTUHY-ZQIUZPCESA-N 321.421 -0.011 30 20 DBED C=CCN1CC[C@H](N2CCN(C(=O)CC(=O)NCC)CC2)C1=O 1112777903 RSFVFWIVGHKBHC-ZDUSSCGKSA-N 322.409 -0.556 30 20 DBED C#CCOCCC(=O)N1CCN([C@H](C)C(=O)NC(=O)NC)CC1 1112844944 NKMQPUNBBAXNCB-GFCCVEGCSA-N 324.381 -0.985 30 20 DBED Cc1cc(CCC(=O)N2CCN(CC(=O)NCC#N)CC2)no1 1113335925 WHSSWTAIKGDISB-UHFFFAOYSA-N 319.365 -0.300 30 20 DBED C=CCn1cc(C(=O)N2CCN(CC#CCOC)CC2)nn1 1113413028 CJMXPUJRIQTNQI-UHFFFAOYSA-N 303.366 -0.128 30 20 DBED C[C@H](CNC(=O)Cn1cncn1)N(C)c1cnc(C#N)cn1 1113609607 OTKLCBHNRVDIPU-SNVBAGLBSA-N 300.326 -0.419 30 20 DBED C[C@H](C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21)n1cccn1 1113894377 UFHSTLHYLPVAOI-NMKXLXIOSA-N 316.365 -0.870 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CN(c2ncccn2)CC[C@@H]1C 1114011747 UZPTVLXWJASXNL-STQMWFEESA-N 315.377 -0.053 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)CCn3ccnc3)[C@H]2C1 1114645302 XGNOYLWJPPGYSA-VIKVFOODSA-N 317.393 -0.378 30 20 DBED C[C@H](C(=O)NC1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]12)C(F)(F)F 1114703067 LMWBAJJMWWNKEG-IWSPIJDZSA-N 318.299 -0.129 30 20 DBED CNC(=O)CC(=O)N[C@@H](C)CCCN=c1cc[nH]c(C#N)n1 1114906426 DGLNQSFJOFAWEV-JTQLQIEISA-N 304.354 -0.397 30 20 DBED CC1(C(=O)NC2[C@H]3CN(CC(=O)NCC#N)C[C@H]23)CCOCC1 1114977821 JEGNUSHSWODUOG-RYUDHWBXSA-N 320.393 -0.511 30 20 DBED CN(c1nccnc1C#N)C1CCN(C(=O)CNC(N)=O)CC1 1115129398 OVFWZDDFQAVUAA-UHFFFAOYSA-N 317.353 -0.556 30 20 DBED CN(CCOCCNC(=O)C(N)=O)c1ncc(C#N)cc1F 1115249996 CGBFAUPVGHFGNH-UHFFFAOYSA-N 309.301 -0.853 30 20 DBED CCN1CCO[C@@H](C(=O)N[C@H]2[C@@H]3CN(CC#CCOC)C[C@@H]32)C1 1115270266 WHYGFFRJBRMGQW-QXSJWSMHSA-N 321.421 -0.597 30 20 DBED CC(=O)N1CC(C(=O)N(C)C[C@H](C)N=c2cc[nH]c(C#N)n2)C1 1115673094 IXJFVMQZKASERL-JTQLQIEISA-N 316.365 -0.493 30 20 DBED CN(CCC#N)C(=O)CCN1CCC2(CC1)NC(=O)N(C)C2=O 1116457700 JAORZWOUEZKRIP-UHFFFAOYSA-N 321.381 -0.235 30 20 DBED C[C@@H](CN(C)C(=O)[C@H]1CCNC1=O)N=c1cc[nH]cc1C#N 1120410023 XSGDBXOLQRKGSC-JQWIXIFHSA-N 301.350 -0.230 30 20 DBED C[C@@H](C#N)C(=O)NC1CC2(C1)CC(N[C@H](C)C(=O)NC(N)=O)C2 1120859244 PQZZIARXTUOECQ-RBHBVPTPSA-N 321.381 -0.254 30 20 DBED CO[C@H](C)CC(=O)NC[C@H](CO)Nc1nc(C)cc(C#N)n1 1121192514 XNVROAVBJQOVFH-ZYHUDNBSSA-N 307.354 -0.029 30 20 DBED COCCOCCC(=O)NC[C@H](CO)Nc1cnc(C#N)cn1 1121698796 KXARRDQATYIFTM-GFCCVEGCSA-N 323.353 -0.710 30 20 DBED C=CCCOCC(=O)NC[C@H](CO)Nc1cnc(C#N)cn1 1121749623 QZKRMSABFRALSI-GFCCVEGCSA-N 305.338 -0.170 30 20 DBED N#Cc1cnc(N[C@@H](CO)CNC(=O)Cc2ncc[nH]2)c(F)c1 1121977360 OYRKALPVLLXVHW-SNVBAGLBSA-N 318.312 -0.053 30 20 DBED Cc1cc(C#N)nc(N[C@H](CO)CNC(=O)[C@@H](C)CC(N)=O)n1 1122355560 MGLKVEAGYDZVPP-KWQFWETISA-N 320.353 -0.943 30 20 DBED CC(C)(C(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1)C(F)F 1122501172 REJSONAXOHRMSF-QMMMGPOBSA-N 313.308 -0.050 30 20 DBED N#CCSCC(=O)NCCNC[C@H]1CCCS(=O)(=O)C1 1123792307 ROMKBTPMVBQNBP-LLVKDONJSA-N 319.452 -0.226 30 20 DBED Cc1cc(NC[C@@H](O)CN(C)C(=O)C#CC2CC2)nc(CO)n1 1124283749 PHBHESBOWAXZPO-CYBMUJFWSA-N 318.377 -0.078 30 20 DBED CN(C[C@H](O)CNc1ccc(C#N)nn1)C(=O)CCCC(N)=O 1124394624 YRJDZRQOPVZTAY-LLVKDONJSA-N 320.353 -0.765 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)COCCOC 1124921813 XWHQUMAGNJGQKZ-UHFFFAOYSA-N 314.386 -0.883 30 20 DBED C#CCO[C@@H](C)C(=O)NCCNCCCS(=O)(=O)N(C)C 1127051198 CWYGCIHXVOVOCX-LBPRGKRZSA-N 319.427 -0.988 30 20 DBED COCC[C@@H](C)C(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1 1129445655 SFONGISQUUSJNF-UPJWGTAASA-N 306.370 -0.184 30 20 DBED C#CCNC(=O)CC(=O)NCc1c[nH]nc1[C@@H]1CCN(CC)C1 1130383723 LUEVLCYTYIOTHZ-GFCCVEGCSA-N 317.393 -0.025 30 20 DBED CCC(=O)N[C@@H](C)C(=O)N1C[C@H]2C[C@@H]3CN(CC#N)C[C@]2(C1)O3 1131230563 LLXMNHXZAWCKRA-VPWBDBDCSA-N 320.393 -0.274 30 20 DBED CC#CCN1C[C@@H](NC(=O)CCn2ncn(C)c2=O)CC[C@H]1C 1132199040 FCTQAARSDRHILX-KGLIPLIRSA-N 319.409 -0.036 30 20 DBED C[C@H]1CCN(C(=O)c2cn[nH]c2)C[C@H]1CNCC(=O)NCC#N 1132658514 GZQSXUZCRWVHMH-WCQYABFASA-N 318.381 -0.263 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1ccc(C)nc1OCC 1146215311 HQADHSBKVCAJNZ-UHFFFAOYSA-N 318.377 -0.142 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)CCc2cnccn2)C1=O 1146727064 CGQPPMAIOORYAP-CQSZACIVSA-N 317.393 -0.098 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1cc2c([nH]1)CCCC2 1146889844 MOQPPXAUWBBCDZ-UHFFFAOYSA-N 303.366 -0.147 30 20 DBED C=CCNC(=O)CN(CC)[C@H](C)CNC(=O)CN(C)C(C)=O 1151960502 KPTSTJRJRIYMEU-GFCCVEGCSA-N 312.414 -0.407 30 20 DBED C[C@H](C#N)C(=O)NCCCNCC(=O)NC(=O)NC(C)(C)C 1155848894 RGINNBFETALQNX-SNVBAGLBSA-N 311.386 -0.134 30 20 DBED CCOCCNC(=O)CNCCCNC(=O)c1cc(C#N)c[nH]1 1156296321 MMAOYIJUFKGIIM-UHFFFAOYSA-N 321.381 -0.251 30 20 DBED N#CCNC(=O)CNCC1(CCNC(=O)[C@H]2CCCOC2)CC1 1163757488 SOYGIMWLVAYOOI-ZDUSSCGKSA-N 322.409 -0.071 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)NCCCNCc1nc(O)n[nH]1 1167683615 CGVAELDHMAITDA-LLVKDONJSA-N 324.385 -0.423 30 20 DBED C=CCNCC1(CCNC(=O)CN2C(=O)CN(C)C2=O)CC1 1168023294 DGDMPUUHAUXVSY-UHFFFAOYSA-N 308.382 -0.058 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)C23CCN(CC2)C3)C1=O 1171293288 GXUYEGCTNFSWSK-CQSZACIVSA-N 320.437 -0.035 30 20 DBED C#CCN1CCC(C(=O)NCCCN[C@@H]2CCN(C)C2=O)CC1 1176926702 UIBDGYWRBBWVQH-OAHLLOKOSA-N 320.437 -0.342 30 20 DBED CC#CCN1CCO[C@@H]2CCN(C(=O)CNC(=O)OC)C[C@@H]21 1176937943 QDBGYPRTMSWKFN-QWHCGFSZSA-N 309.366 -0.333 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H]2OCCN(CCOC)[C@@H]2C1 1176982550 FNJNJIDWHQSYEA-KGLIPLIRSA-N 323.393 -0.926 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2cc(C)no2)C1 1180939388 DWPFESHTWVBOOJ-VXGBXAGGSA-N 304.350 -0.075 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)CNC(=O)CCC)C1 1181369981 PLZTWWPVJYNXLG-GFCCVEGCSA-N 310.398 -0.605 30 20 DBED CC(=O)N1CCO[C@@H](C(=O)N2C[C@@H](C)[C@](C)(CNCC#N)C2)C1 1183298144 PJSNZWNPFOVWCX-XNRPHZJLSA-N 322.409 -0.169 30 20 DBED CN1CCC[C@H]1C(=O)N1CC[C@@H](N(C)CC(=O)NCC#N)C1 1189389916 MERAOLSZEHROBD-OLZOCXBDSA-N 307.398 -0.747 30 20 DBED Cc1nocc1CN1C[C@@H](O)[C@H](NC(=O)CSCC#N)C1 1191149494 VTXSPCQGWCLZQH-VXGBXAGGSA-N 310.379 -0.099 30 20 DBED C=CCCN(C)[C@H]1CCN(C(=O)CNS(=O)(=O)NC)C1 1191543746 RTDNZFAZLZQYKH-NSHDSACASA-N 304.416 -0.851 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CN(Cc2nnc(C3CC3)n2C)C[C@H]1O 1191853932 HODJXKKUZXTLSH-YUSALJHKSA-N 318.381 -0.487 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)C[C@H](C)COC)C1 1193154774 CWAFAGYYRMTEJQ-UONOGXRCSA-N 309.410 -0.059 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)CS(=O)(=O)CC(C)C)C1 1194185073 QIVSYOWBOUCKOH-CHWSQXEVSA-N 316.423 -0.758 30 20 DBED CC(C)C#CC(=O)N1CCCN(CCNS(C)(=O)=O)CC1 1195780268 AQGDTAZHZASGHO-UHFFFAOYSA-N 315.439 -0.271 30 20 DBED CCc1n[nH]cc1C(=O)N1CCCN(CC(=O)NCC#N)CC1 1196395201 NLRMDUYHMJLCMM-UHFFFAOYSA-N 318.381 -0.240 30 20 DBED C=CCOCC(=O)N1CCCO[C@@H](CNCc2cnn(C)n2)C1 1200108651 GJYVMVLLZOGLQD-AWEZNQCLSA-N 323.397 -0.275 30 20 DBED C#CCNC[C@@H]1CN(C(=O)C(=O)NCC(F)F)CCCO1 1200874309 ROKLEIRDHSHWKR-SNVBAGLBSA-N 303.309 -0.792 30 20 DBED Cn1cnn(CCC(=O)N[C@@H]2C[C@H](NCC#N)C23CCC3)c1=O 1203218389 BLXGUHQPXJLPLZ-NWDGAFQWSA-N 318.381 -0.488 30 20 DBED C#CCN[C@@H]1C[C@H](NC(=O)CCCS(N)(=O)=O)C12CCC2 1203326619 VCTUIQOCFJYVEW-NEPJUHHUSA-N 313.423 -0.295 30 20 DBED C#CCCNC1CCN(C(=O)Cn2nc(C)n(C)c2=O)CC1 1203545504 ZHQSWQKQLVQWFY-UHFFFAOYSA-N 305.382 -0.506 30 20 DBED C=CCCC(=O)N[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1C 1206544516 KLOJKQDXJLTXMN-VXGBXAGGSA-N 303.428 -0.062 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CN(CC(=O)NC(=O)NC2CC2)C[C@H]1C 1206641675 YJPCQCAOXHPUGQ-CKYFFXLPSA-N 321.381 -0.429 30 20 DBED C=CCNC(=O)CNCC1CCN(C(=O)Cn2cncn2)CC1 1206916530 QHTVKMUBEZONTA-UHFFFAOYSA-N 320.397 -0.592 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)c2ncn(C)n2)[C@H](C)C1 1206932504 HMYCXYIHTPRHJZ-IJLUTSLNSA-N 318.381 -0.997 30 20 DBED Cc1nc[nH]c1C(=O)N1CCC(CNCC(=O)NCC#N)CC1 1206977725 VUQOQRJWEYEWOW-UHFFFAOYSA-N 318.381 -0.200 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)[C@@H]2CCC(=O)NC2)[C@H](C)C1 1207794622 BYBNTZQUPUUEPN-JHJVBQTASA-N 322.409 -0.749 30 20 DBED CC#CCN1C[C@@H](NC(=O)CNC(=O)c2ccoc2)[C@H](OC)C1 1212313184 IQCPZWPXOXDZSL-ZIAGYGMSSA-N 319.361 -0.152 30 20 DBED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)[C@@H]1CC12CCC2 1213494121 TYRDJCWKYHPMLP-YNEHKIRRSA-N 320.393 -0.368 30 20 DBED C#CCCN1C[C@@H](NC(=O)CCCn2cncn2)[C@H](OC)C1 1213676109 PNYRVISSXPONRW-ZIAGYGMSSA-N 305.382 -0.103 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)c2cnsn2)C[C@H]1C 1214219745 VNDZGBVKTCOTEX-MWLCHTKSSA-N 309.395 -0.110 30 20 DBED N#CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)CC1CC1 1217175719 FMDUFYVAQYLHPA-QWHCGFSZSA-N 306.366 -0.662 30 20 DBED C=CCN1CC[C@@H](N2C[C@H](O)[C@H](NC(=O)CC(C)C)C2)C1=O 1219123061 OMSAHKNLWLIGJW-MCIONIFRSA-N 309.410 -0.019 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2coc(C)n2)C1 1219508404 ZVKFOROWKCTEDT-PWSUYJOCSA-N 308.338 -0.940 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(Cc2noc(CC)n2)C[C@@H]1O 1219527660 XQRIMDMUUYJKAV-JRPNMDOOSA-N 324.381 -0.380 30 20 DBED Cc1csc(C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@@H]2O)c1 1219567969 NNYSTSAWNZWHJM-MNOVXSKESA-N 322.390 -0.529 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H](C)C(F)(F)F)C1 1220157932 ARZPYZNQWIVOBP-BBBLOLIVSA-N 321.299 -0.905 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)c2c(C)ncnc2O)C1 1220199481 PVBNKLMSHDERSU-NEPJUHHUSA-N 322.365 -0.532 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](NC(=O)CCCS(C)(=O)=O)C1 1220536503 FYHQRDCSHSIZOW-OLZOCXBDSA-N 318.439 -0.061 30 20 DBED N#CCNC(=O)CN1CCC(CNC(=O)C[C@@H]2CCOC2)CC1 1222700586 HGWXSLQXXGIIGP-AWEZNQCLSA-N 322.409 -0.119 30 20 DBED C[C@H](C#N)C(=O)NC1CCN(CCCN2C(=O)CNC2=O)CC1 1226640492 NSZLLTGKKIPYRH-LLVKDONJSA-N 321.381 -0.331 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCC(NC(=O)c2nnn(C)n2)CC1 1228693699 PXBZSOKXZIQJIC-SNVBAGLBSA-N 321.385 -0.905 30 20 DBED CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NC1CCN(CC#N)CC1 1228984947 UUSZXWQXRSLETL-AWEZNQCLSA-N 318.381 -0.439 30 20 DBED CCO[C@@H]1COCC[C@H]1NC(=O)C(=O)N1CCO[C@@H](C#N)C1 1261083809 QTNOJFIDKAQGBN-QJPTWQEYSA-N 311.338 -0.952 30 20 DBED N#C[C@]1(F)CCN(C(=O)C(=O)N2CCC3(CCNC3=O)CC2)C1 1261898390 BRJGISKUGKWTPP-OAHLLOKOSA-N 322.340 -0.421 30 20 DBED N#C[C@]1(F)CCN(C(=O)C(=O)N2CCC[C@H]2C(=O)NC2CC2)C1 1325131593 LRKDEVBFZQZXQM-XHDPSFHLSA-N 322.340 -0.280 30 20 DBED C=C(C)COCCNC(=O)C(=O)N[C@@H]1C[C@@H]2CCCCN2C1=O 1326359701 KSBASQXDVFKLDG-QWHCGFSZSA-N 323.393 -0.035 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)NCc1ccnc(N(C)C)n1 1327185129 XMJDDUXNZTVXJN-UHFFFAOYSA-N 313.361 -0.356 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CCO[C@@H](C)[C@@H]2C)nn1 1329222489 LYADPFXJUCLHFF-QWRGUYRKSA-N 307.354 -0.284 30 20 DBED C=CCN(C(=O)C(=O)N(C)CCS(C)(=O)=O)[C@@H](C)COC 1329751628 ZBYOIERBQPHIBC-NSHDSACASA-N 320.411 -0.461 30 20 DBED CC[C@@H]1C(=O)N(CC)CCN1C(=O)C(=O)N1CC[C@@](F)(C#N)C1 1331199243 YYLIICGCWULKNF-IAQYHMDHSA-N 324.356 -0.080 30 20 DBED C[C@H]1CCN1C(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1331522885 YEFZCGOHLUACEI-QZOQKNACSA-N 306.322 -0.750 30 20 DBED C=CCn1c(N2C[C@H]3C(=O)N(C)C(=O)[C@H]3C2)nnc1C1(O)CC1 1340341261 AEOUREYLVLCWRU-AOOOYVTPSA-N 317.349 -0.504 30 20 DBED C=CCCC(=O)CN1C(=O)N[C@H](CCS(C)(=O)=O)C1=O 1341310318 PHMXZYXYBYITDF-SNVBAGLBSA-N 302.352 -0.123 30 20 DBED C=CCn1c(N2CCN(C)C(=O)[C@H]2C)nnc1[C@@]1(O)CCOC1 1342443088 PVVDZPCOHFOLOI-IAQYHMDHSA-N 321.381 -0.261 30 20 DBED COc1ncc(C)cc1NC(=O)C(=O)NCC(=O)NCC#N 1346617493 MMXLKPQBHJPZRL-UHFFFAOYSA-N 305.294 -0.907 30 20 DBED COC(=O)CCN(C(=O)Cn1cc(C#N)c(O)nc1=O)C(C)C 1362145109 FUHKEVLTMYELSE-UHFFFAOYSA-N 322.321 -0.379 30 20 DBED N#Cc1cn(CC(=O)N2CCOC3(CCC3)C2)c(=O)nc1O 1362255511 KZIWQYNNHXEQLE-UHFFFAOYSA-N 304.306 -0.398 30 20 DBED COC1(CNC(=O)Cn2cc(C#N)c(O)nc2=O)CCOCC1 1362639992 GSONNKXWDRNOJB-UHFFFAOYSA-N 322.321 -0.868 30 20 DBED C[C@H]1OC(=O)N[C@@H]1C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N 1363504290 NCIWJROMMCNKAK-APPZFPTMSA-N 320.309 -0.447 30 20 DBED Cn1c(=O)[nH]c(N2CC[C@@](O)(C(F)(F)F)C2)c(C#N)c1=O 1363729002 GVBUJEKVKSFFSM-JTQLQIEISA-N 304.228 -0.551 30 20 DBED C[C@@H](CNC(=O)c1ncn(C)n1)N(C)C(=O)c1ccc(C#N)[nH]1 1369833591 NXZCFCGRVGFREF-VIFPVBQESA-N 315.337 -0.095 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](NC(=O)CCN2CCOCC2)C1 1372282331 OWPPAYCKIUETHX-OLZOCXBDSA-N 308.382 -0.415 30 20 DBED CCN(CCNC(=O)[C@@H](C)C#N)C(=O)CN(C)C(=O)COC 1387303516 WVYCWNBYUHHJJX-NSHDSACASA-N 312.370 -0.784 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H]1CNC(=O)CCn1cnnn1 1387377813 PNNSYFASFUVGPO-GHMZBOCLSA-N 305.342 -0.670 30 20 DBED CCN(CCNC(=O)[C@H](C)C#N)C(=O)[C@H]1CCCN(C(N)=O)C1 1388408040 QMCLCUTXDZDTMZ-NEPJUHHUSA-N 323.397 -0.099 30 20 DBED C=C(Cl)CN[C@H](C)[C@H]1CN(C(=O)CNC(=O)NC)CCO1 1394331944 GDPKJDMHXOAOJK-GHMZBOCLSA-N 318.805 -0.127 30 20 DBED COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)CNc1ccc(C#N)cn1 1412743996 WNVYMCHIRHOZPE-MNOVXSKESA-N 304.306 -0.500 30 20 DBED CCN1CCC[C@@H]1CNC(=O)Cn1cc(C#N)c(O)nc1=O 1412826311 JRGILOHNVVNJTC-LLVKDONJSA-N 305.338 -0.579 30 20 DBED Cn1c(=O)[nH]c(N[C@H]2Cc3ccccc3NC2=O)c(C#N)c1=O 1413899151 BMGOAYCTGSVSSC-NSHDSACASA-N 311.301 -0.079 30 20 DBED C[C@H](C#N)C(=O)NC[C@]1(C)CCN(C(=O)CS(C)(=O)=O)C1 1417359285 MCEUDCDIMXJHLG-MFKMUULPSA-N 315.395 -0.455 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCNC(=O)c1ccc2nnc(O)n2c1 1429362382 YNPMGROFRXWMGA-VIFPVBQESA-N 316.321 -0.217 30 20 DBED C[C@H](Cc1cnn(C)c1)NC(=O)NCCn1cnc(C#N)n1 1434799179 INZRYLPHGKVYEK-SNVBAGLBSA-N 302.342 -0.186 30 20 DBED CCS(=O)(=O)NCC(=O)N1CCC(C#N)(C(=O)OC)CC1 1467991335 JNBDCOOOOKBIOL-UHFFFAOYSA-N 317.367 -0.769 30 20 DBED C[C@H]1CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)C[C@@H]1CO 1470415545 CEIKTJMCUPYIBK-CMPLNLGQSA-N 320.349 -0.312 30 20 DBED CNC(=O)NC(=O)CN1CC[C@]2(CCN(C(=O)[C@H](C)C#N)C2)C1 1483840348 ASPQHNYQZDHBCP-ABAIWWIYSA-N 321.381 -0.474 30 20 DBED C[C@@H](C#N)C(=O)NCC1(C)CCN(CC(=O)NC(N)=O)CC1 1484131896 FNGACDITFNAYCC-JTQLQIEISA-N 309.370 -0.441 30 20 DBED COC[C@H](O)CN1CC=C(CNC(=O)CSCC#N)CC1 1486502014 IHUWFQUEDWWPFJ-CYBMUJFWSA-N 313.423 -0.001 30 20 DBED Cc1nc(CC(=O)N2CCC(NC(=O)[C@@H](C)C#N)CC2)n[nH]1 1492088951 XIVREGODUCAXDM-VIFPVBQESA-N 304.354 -0.078 30 20 DBED CCN(CCNC(=O)[C@H](C)C#N)Cc1nnc2n1CCOC2 1492926983 OSCJSTUFOSPZIH-LLVKDONJSA-N 306.370 -0.094 30 20 DBED C=C[C@](C)(CC)C(=O)N[C@@H]1CN(C(=O)CNC(=O)O)C[C@H]1O 1573347801 OICUITPKAJVBCA-GPCCPHFNSA-N 313.354 -0.456 30 20 DBED C#CCN(CC(=O)O)C(=O)C(=O)Nc1ccc([S@@](C)=O)cc1 1588395285 LGBDRBLUAYZRAQ-JOCHJYFZSA-N 322.342 -0.091 30 20 DBED C=C(C)CCNC[C@@H](O)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 1588424912 QGLZDBFOPKKCRN-SNVBAGLBSA-N 319.369 -0.159 30 20 DBED C=CCC1(O)CCN(C(=O)C(=O)N[C@H]2C[C@@H](C(=O)O)C2)CC1 1588457571 GBCSKCNAJYAJIN-PHIMTYICSA-N 310.350 -0.105 30 20 DBED C=CC[C@@H](CO)NS(=O)(=O)c1ccc(-c2nn[nH]n2)nc1 1588545802 OIBJVMYDJQWDRB-QMMMGPOBSA-N 310.339 -0.523 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)c2cc(C(=O)O)nn2C)C1=O 1602722759 NCSNMBZXZCZOHL-SNVBAGLBSA-N 306.322 -0.023 30 20 DBED C=CCOCCNC(=O)C(=O)NCc1cc(C(=O)O)c(C)n1C 1602915091 CNUMCPAXFWJCCP-UHFFFAOYSA-N 323.349 -0.033 30 20 DBED C[C@]1(C(=O)O)CCCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)C1 1604496938 YPCQCKONHPBEHG-JQWIXIFHSA-N 317.367 -0.358 30 20 DBED CC(=O)N1C[C@@H]2[C@@H](CCC[C@H]2NC(=O)Cn2cnc(C#N)n2)C1 1647204902 IOXSGPGSGOQGIL-YNEHKIRRSA-N 316.365 -0.087 30 20 DBED N#CCCN(Cc1cccnc1)C(=O)Cn1cnc(C(N)=O)n1 1649859783 ZLLXWQOAJSSCQK-UHFFFAOYSA-N 313.321 -0.286 30 20 DBED N#CCNC(=O)CN1CCC[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 1665050045 MYTOLLFCAUHYDC-LBPRGKRZSA-N 314.349 -0.280 30 20 DBED N#CCNC(=O)CNC[C@H]1CCCN1C(=O)CCc1ccon1 1666439699 YAXOXEYZODCGRV-CYBMUJFWSA-N 319.365 -0.172 30 20 DBED CC#CCN(C)CCCNC(=O)CCCN1C(=O)CNC1=O 1752111412 MDPLJNLQHZTJBJ-UHFFFAOYSA-N 308.382 -0.220 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H]2CC[C@H](C1)N2C(=O)CCN(C)C 1752542188 HPPRVPVPVXVKRN-SOUVJXGZSA-N 320.437 -0.249 30 20 DBED C=CCNC(=O)CN[C@H]1C[C@H](NC(=O)CCc2cncnc2)C1 1752642114 RAGBGXCESWNIJS-HDJSIYSDSA-N 317.393 -0.052 30 20 DBED C=CCNC(=O)NC(=O)CN[C@@H](C)CNC(=O)c1ccnnc1 1752903157 FUSFCJUWLDSIEG-JTQLQIEISA-N 320.353 -0.804 30 20 DBED C=C(C)CNC[C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 1752942134 XPICNZNODWSLCH-NSHDSACASA-N 306.370 -0.609 30 20 DBED C#CCN1CCC(C(=O)NC[C@@H](O)CN[C@H](C)COC)CC1 1753946054 CXHJXRPBISPZRD-HIFRSBDPSA-N 311.426 -0.567 30 20 DBED C#CCNC(=O)CN1CC[C@@](C)(NC(=O)[C@@H](OC)C2CC2)C1 1754672948 RIENTXOCKMLDSI-GOEBONIOSA-N 307.394 -0.259 30 20 DBED C=CCCN1CCC[C@@](CO)(NC(=O)C[C@@H](C)NC(N)=O)C1 1754856371 KALQQGOPIQNHBC-IUODEOHRSA-N 312.414 -0.048 30 20 DBED C#CCN1CCC[C@](CO)(NC(=O)[C@@H]2CN(CC)CCO2)C1 1754861144 KFWDBDDZOXDDPJ-HOCLYGCPSA-N 309.410 -0.717 30 20 DBED C#CCN1CC[C@@H](NC(=O)CCNS(C)(=O)=O)C(C)(C)C1 1755139277 VDIGZKRVAUYHPN-GFCCVEGCSA-N 315.439 -0.224 30 20 DBED Cn1nccc1CCC(=O)NC1(CO)CCN(CC#N)CC1 1755178018 MUJIQTHRFDZXSS-UHFFFAOYSA-N 305.382 -0.181 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H](CO)NCCn1cccn1 1755641747 HQLRXMMOWXZKAD-ILXRZTDVSA-N 322.409 -0.069 30 20 DBED C#CCNC(=O)CC(=O)N1CC([C@@H](C)NC(=O)C[C@@H](C)OC)C1 1756130790 VHXPBINAYGGTCO-VXGBXAGGSA-N 323.393 -0.486 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H](NC(=O)[C@H](C)C#N)C(C)(C)C1 1756183167 JBZKLPGOJIWETR-NEPJUHHUSA-N 318.377 -0.361 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@H](CO)NC(=O)c1oncc1C 1756515731 OMRMPWMXNKIWBT-YGRLFVJLSA-N 311.338 -0.483 30 20 DBED C=C(C)C(C)(C)C(=O)NC[C@H](O)CN(C)C(=O)c1cnn(C)n1 1756667989 AUMTVXPMGAQIQQ-NSHDSACASA-N 323.397 -0.034 30 20 DBED Cc1nc[nH]c1C(=O)N[C@@H]1CN(C(=O)CSCC#N)C[C@H]1O 1757013169 AHTFNNNAFSMCAG-NXEZZACHSA-N 323.378 -0.724 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccn1)C2 1800450591 GWKFZJBFHLXPLC-GNXNZQSNSA-N 300.318 -0.687 30 20 DBED C#CC(=O)N1CCCC[C@H]1C1CCN(C(=O)CNC(=N)N)CC1 1831321352 LJLOKLAHNMPYSH-ZDUSSCGKSA-N 319.409 -0.278 30 20 DBED C[C@@H](S)C(=O)N1CCCC12CN(C(=O)Cn1cncn1)C2 1846367848 UOKZABVJYBYVMH-SNVBAGLBSA-N 309.395 -0.200 30 20 DBED C[C@H](C(=O)N(C)CCC#N)N1CCN(CC(=O)NC2CC2)CC1 72878551 VRCKPOCFXUCNCX-CYBMUJFWSA-N 321.425 -0.357 30 20 DBED C[C@@H](CC#N)N(C)C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 103443543 SVQUHQONDOBOCX-VIFPVBQESA-N 318.337 -0.806 30 20 DBED C#CCN1CCN(C(=O)CCNC(=O)c2ccncc2)CC1 112920684 MZJYEXOYIFVXKD-UHFFFAOYSA-N 300.362 -0.021 30 20 DBED CC#CCNC(=O)[C@H](C)NS(=O)(=O)c1c(C)nn(C)c1C 121469707 NAGJJHXDNAPXBV-JTQLQIEISA-N 312.395 -0.157 30 20 DBED C#CCN1CCN(C(=O)c2ccc(=O)n(CCOC)n2)CC1 128321390 HNTSYUBPRIGVQP-UHFFFAOYSA-N 304.350 -0.719 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CC[C@@H](C)O2)CC1 152700850 WGFRHDOGFUVPSH-ZIAGYGMSSA-N 307.394 -0.162 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)c2ccc[nH]2)c1=O 198171942 KLFRXHUOTOPLLP-UHFFFAOYSA-N 316.317 -0.245 30 20 DBED N/C(=N\C[C@H](O)COc1ccc2c(c1)OCO2)N1CCOCC1 264073885 FDUYCBJSTMOSRN-NSHDSACASA-N 323.349 -0.198 30 20 DBED CC(C)OCCS(=O)(=O)NCC(=O)N(CC#N)CC#N 267188969 YEZKHEKBNCEBTM-UHFFFAOYSA-N 302.356 -0.793 30 20 DBED C=CCn1c(SCC(=O)NCCC(=O)OC)n[nH]c1=O 268305811 IKDIPFMDFIIZPI-UHFFFAOYSA-N 300.340 -0.471 30 20 DBED COC[C@H](O)CNc1ccc(C#N)c(NC[C@@H](O)COC)n1 278431608 PQWOEDLNGHRYOC-VXGBXAGGSA-N 310.354 -0.208 30 20 DBED CCC[C@@]1(CO)CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)C1 288883975 MIPFKECNMJUPOK-OAHLLOKOSA-N 306.366 -0.055 30 20 DBED C#CCNC(=O)CCN(CCC(=O)OC)CC(OC)OC 294716920 VLVGSKCGGSZZQW-UHFFFAOYSA-N 300.355 -0.390 30 20 DBED N#CCCN(CCC#N)C(=O)CN1CCOC[C@H]1CC(=O)O 317166879 VVORKJFOJZPIEZ-GFCCVEGCSA-N 308.338 -0.182 30 20 DBED C[C@@H]1OCC[C@@]12CN(/C(O)=N/CCn1cnc(C#N)n1)CCO2 329362826 IZEFECGXIXUFNC-SMDDNHRTSA-N 320.353 -0.056 30 20 DBED C[C@H]1CN(/C(O)=N/CCN2CCOCC2)C[C@@H](C)S1(=O)=O 329707155 KJBNUKCBXLDZBW-TXEJJXNPSA-N 319.427 -0.260 30 20 DBED C[C@H](O)C[C@@H]1COCCN1C(=O)CNc1ccc(C#N)cn1 330992656 SQWNIJRLVJBTIL-WCQYABFASA-N 304.350 0.363 30 20 DBED C[C@@H]1CCCN(CCNS(=O)(=O)N2CCO[C@@H](C#N)C2)C1 336908452 GFXOUOGANRULKJ-OLZOCXBDSA-N 316.427 -0.223 30 20 DBED N#Cc1ncn(CCNC(=O)N[C@H]2CC(=O)N(C3CC3)C2)n1 345388380 XVCUITCKLAOXQW-VIFPVBQESA-N 303.326 -0.788 30 20 DBED COC(=O)[C@@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)[C@@H](C)O 353855015 AGDLHSWNPHVZLF-RNCFNFMXSA-N 319.317 -0.673 30 20 DBED C[C@H](CS(C)(=O)=O)NC(=O)CNC(=O)c1ccc(C#N)cc1 354949896 CJGHANCLDVKOJB-SNVBAGLBSA-N 323.374 -0.163 30 20 DBED C=CCN(C)C(=O)C(=O)N[C@H]1CCOC[C@H]1OCCOC 360199738 NQBICNLOQGLNIG-NWDGAFQWSA-N 300.355 -0.433 30 20 DBED C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1C[C@H]2[C@H](O)CC[C@H]2C1 425902574 VZBOCHNMPWYTAX-QNSTZXKLSA-N 308.378 -0.077 30 20 DBED CCN(C(=O)CNc1ccc(C#N)cn1)[C@@H]1CC(=O)NC1=O 448840710 MWPOPZDKSACCRR-SNVBAGLBSA-N 301.306 -0.371 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2cc(OC)no2)CC1 491073027 XEYPVCJIZZENCZ-UHFFFAOYSA-N 306.322 -0.810 30 20 DBED N#Cc1cccc(NC(=O)C(=O)N2CCN3C(=O)OC[C@@H]3C2)n1 496660141 JGOKIBFHJPEDPD-JTQLQIEISA-N 315.289 -0.445 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)c2csc(O)n2)CC1 525924641 BIELCSOXFDOOQV-UHFFFAOYSA-N 310.379 -0.091 30 20 DBED C[C@@H](C(=O)NCC1(C#N)CC1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 565400278 BABAMJFKDSEYHB-MTVMDMGHSA-N 317.345 -0.043 30 20 DBED C[C@@H](CCC#N)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 576827487 TXCPRKNKUUKDSV-LBPRGKRZSA-N 306.366 -0.028 30 20 DBED CC(C)NC(=O)C(=O)N1CCN(c2cc(C#N)ncn2)CC1 577258057 MIYBYMKADKKHDP-UHFFFAOYSA-N 302.338 -0.479 30 20 DBED Cc1nc(SCC(=O)NC[C@@H](O)C(N)=O)c(C#N)c(C)c1C 597583434 DOHXHZUYBRYRPL-LLVKDONJSA-N 322.390 -0.067 30 20 DBED N#CCCN1CCN(C(=O)C(=O)NCCOCC2CC2)CC1 602239707 XBLYXXHWPQZJPL-UHFFFAOYSA-N 308.382 -0.413 30 20 DBED CCOCCS(=O)(=O)NCC(=O)N[C@H](C#N)CC(C)C 610712566 MNKOTWAWHRZCIO-NSHDSACASA-N 305.400 -0.003 30 20 DBED C=C[C@H](CO)NCC(=O)Nc1cc(S(N)(=O)=O)ccc1C 662168450 HCFJIGCHRKWOGZ-SNVBAGLBSA-N 313.379 -0.283 30 20 DBED C=CCn1c(COC)nnc1N1CCN(CCOC)C(=O)C1 669812527 SFIGYPZCGCMROH-UHFFFAOYSA-N 309.370 -0.095 30 20 DBED N#CCNC(=O)COC(=O)CN1C(=O)NC2(CCCCC2)C1=O 731233526 KFUFTKLKTKFWEU-UHFFFAOYSA-N 322.321 -0.576 30 20 DBED CNC(=O)CNC(=S)NN=C1C(=O)Nc2ccc(OC)cc21 731927085 MHRMIPXCPKVMEE-UHFFFAOYSA-N 321.362 -0.439 30 20 DBED C#CCCCNC(=O)C(=O)N[C@H]1CCN(C2CCN(C)CC2)C1 806209889 GSUZGPIQLBGUBO-AWEZNQCLSA-N 320.437 -0.199 30 20 DBED C#CCCCNC(=O)C(=O)N1CCN(CCC(=O)OC)C[C@@H]1C 806908531 IOTAZILAVODXRG-ZDUSSCGKSA-N 323.393 -0.388 30 20 DBED N#C[C@@H](C(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)C(=O)NC1CC1 815908501 CQVRRRXALWXQSL-TUAOUCFPSA-N 315.329 -0.075 30 20 DBED CCC1(CC)NC(=O)N(CC(=O)N[C@H]2CNC[C@H]2C#N)C1=O 834517805 ZIPNFLAZQQVYIR-ZJUUUORDSA-N 307.354 -0.675 30 20 DBED C=C(C)CN(CC)C(=O)COC(=O)[C@H]1CCS(=O)(=O)N1 845370343 WKUNGOQOWNOWDY-SNVBAGLBSA-N 304.368 -0.354 30 20 DBED O=C1COc2ccc(S(=O)(=O)O[C@H]3CNOC3)cc2N1 845932437 TXYWWGZCJYQCBL-ZETCQYMHSA-N 300.292 -0.374 30 20 DBED C#C[C@H](NC(=O)C(=O)NC[C@H](C(=O)O)C(C)C)[C@@H]1CCCO1 848610043 JGRJCKSRWIWCJX-SRVKXCTJSA-N 310.350 -0.244 30 20 DBED C#C[C@@H](CC)NC(=O)N1CCN(S(=O)(=O)NC(C)C)CC1 854079118 WFUNJKIKUIJEMN-LBPRGKRZSA-N 316.427 -0.032 30 20 DBED C=CCSCCNC(=O)C(=O)NCCO[C@@H]1CCOC1 929752197 HDKJWAVRNMUCQA-LLVKDONJSA-N 302.396 -0.057 30 20 DBED C#CCN1CCN(C(=O)[C@@H]2CC(c3cn(C)nc3C)=NO2)CC1 932710419 TXVRYXRMKPJCIV-HNNXBMFYSA-N 315.377 -0.001 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](NC(=O)c2ccc3nn[nH]c3n2)C1 941067440 MUSVEQFTLFUSHB-RKDXNWHRSA-N 313.321 -0.157 30 20 DBED C[C@H]1CN(CC#N)CC[C@@H]1NC(=O)CN1C(=O)CN(C)C1=O 944790303 PHYLVFRAGWDYHT-QWRGUYRKSA-N 307.354 -0.769 30 20 DBED CCN(C(=O)[C@@H]1CCc2nnnn2CC1)C1CN(CC#N)C1 952297030 HQJLTQGNHXAEBL-LLVKDONJSA-N 303.370 -0.318 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@](C)(NC(=O)c2cc(C(N)=O)c[nH]2)C1 957437624 BTYWPCNBKYFXTN-VFZGTOFNSA-N 317.349 -0.006 30 20 DBED Cn1ncc(CN2C[C@@H]3C(NC(=O)c4cc(C#N)c[nH]4)[C@H]3C2)n1 958500918 VFARSHDSEJGONL-RYUDHWBXSA-N 311.349 -0.125 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NC1[C@@H]2CN(CC(=O)NC)C[C@@H]12 959943957 FJWKWRDHPFIOJB-LPWJVIDDSA-N 307.394 -0.240 30 20 DBED C#CCN1C[C@@H]2C(NC(=O)c3ccc(=O)n(CCOC)n3)[C@H]2C1 960935753 YZUCJXCARZHXEZ-RYUDHWBXSA-N 316.361 -0.817 30 20 DBED C[C@H](C#N)C(=O)N1CCOC2(CN(C(=O)C3=COCCO3)C2)C1 965475404 WLERCNRHBCNXKU-LLVKDONJSA-N 321.333 -0.526 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)CN3CCOCC3)[C@@H]2C1 971853579 VOVZMAQZEKRZBG-MGPQQGTHSA-N 320.393 -0.462 30 20 DBED C#Cc1cncc(C(=O)NC[C@H]2[C@@H]3CN([C@@H]4CCNC4=O)C[C@H]23)c1 978704708 YJXWAOMFPAVCSU-LVQVYYBASA-N 324.384 -0.141 30 20 DBED N#Cc1cc(C(=O)NC[C@H]2C[C@@H](NC(=O)c3cnn[nH]3)C2)c[nH]1 978739926 QMLYRDCNQMOLGB-WAAGHKOSSA-N 313.321 -0.057 30 20 DBED C=CCCN1CCCN(C(=O)Cn2cnc(C(N)=O)n2)CC1 981197512 FMGIDEWTBMQUCV-UHFFFAOYSA-N 306.370 -0.513 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](CNC(=O)C2CC(=O)NC(=O)C2)C1 983216800 QUXKKTVUGMTKEJ-UWVGGRQHSA-N 320.349 -0.836 30 20 DBED C[C@H]1[C@@H](NCC#N)CCN1C(=O)CN1CCCCS1(=O)=O 986569909 CLAPGKOWHQVEGN-RYUDHWBXSA-N 314.411 -0.485 30 20 DBED C#Cc1cncc(C(=O)N2CC(NC(=O)c3cnnn3CC)C2)c1 991209033 USCMVJVWNGWCRT-UHFFFAOYSA-N 324.344 -0.071 30 20 DBED C[C@@H](C#N)C(=O)N1CC(n2cc(CNC(=O)C3CC3)nn2)C1 994727824 VXZZYURSGOHOLB-VIFPVBQESA-N 302.338 -0.153 30 20 DBED C[C@@]1(C(=O)NC2CN(C(=O)c3ccc(C#N)[nH]3)C2)CNC(=O)C1 996255813 GIWUEVFNOVIQAY-HNNXBMFYSA-N 315.333 -0.647 30 20 DBED COc1ccnc(O)c1C(=O)NC1CN(C(=O)[C@@H](C)C#N)C1 996479586 JEANPMMWGCALBL-QMMMGPOBSA-N 304.306 -0.104 30 20 DBED C=C(C)CNC1CC(N(C)C(=O)[C@H]2CCS(=O)(=O)N2)C1 999848991 AIQLGKWLVANGIL-HTAVTVPLSA-N 301.412 -0.167 30 20 DBED C[C@H](C#N)C(=O)N1CC(CNC(=O)c2coc(C(N)=O)c2)C1 1003291085 VCTGGTVTTQKMRE-MRVPVSSYSA-N 304.306 -0.274 30 20 DBED O=C1CC[C@H](C(=O)N2C[C@H]3CC[C@H]2CN3C(=O)C#CC2CC2)N1 1007193601 LNRCZGMSMPTZQM-HZSPNIEDSA-N 315.373 -0.120 30 20 DBED C=CCN1CC[C@@H](N2CC[C@H](NC(=O)Cn3nccn3)C2)C1=O 1014563155 CSVCPYPOJZZTAI-QWHCGFSZSA-N 318.381 -0.745 30 20 DBED N#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)CC[C@H]1NC(=O)NC1=O 1018250287 ZPUKOGWNAXHIPW-OUAUKWLOSA-N 305.338 -0.827 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2CC[C@@H](C)N(C(=O)C(N)=O)C2)c1 1018405171 RUYLCWYRQNJXEX-ZWNOBZJWSA-N 314.345 -0.343 30 20 DBED CC(=O)N1CC(C(=O)N2CCC3(C2)CN(C(=O)[C@H](C)C#N)C3)C1 1019363701 ZGVDYAPUVSNVPX-LLVKDONJSA-N 318.377 -0.315 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCN(C(=O)[C@H]3CCC(=O)N3C)C2)C1 1019364918 PEIFNXKOUMBEEK-VXGBXAGGSA-N 318.377 -0.172 30 20 DBED C=C(Cl)CN[C@H]1CCN(C(=O)CC[C@H]2NC(=O)NC2=O)C1 1019752608 ROMWECYPHYIIQQ-VHSXEESVSA-N 314.773 -0.082 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H](NCCN2CCNC2=O)C1 1022736972 LJWMXZQIDQIYRH-RQJABVFESA-N 322.409 -0.161 30 20 DBED C#CCN(C)[C@@H]1CCCN(C(=O)C2CC3(C2)NC(=O)NC3=O)C1 1027612552 KRYZBNNCCXZKQB-BWBHSNQOSA-N 318.377 -0.469 30 20 DBED C#CCN1CC[C@@H](CNC(=O)c2ccc(=O)n(CCOC)n2)C1 1028676356 NATIOQWMWSJZLW-ZDUSSCGKSA-N 318.377 -0.425 30 20 DBED C#CCOc1ncccc1C(=O)NC[C@H]1CCN(CC(N)=O)C1 1028937118 MFIJBWCWROTILX-GFCCVEGCSA-N 316.361 -0.369 30 20 DBED C[C@@H](C(=O)N1C[C@@H]2CC[C@H](C1)N2CC#N)N1C(=O)CCC1=O 1029330356 MFNYXYGPIFPHDY-SDDRHHMPSA-N 304.350 -0.277 30 20 DBED N#CCN1[C@H]2CC[C@H]1CN(C(=O)CCN1C(=O)CCC1=O)C2 1029383405 TXZJISFVIXMOLX-RYUDHWBXSA-N 304.350 -0.276 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)c3ccnn3C)C2)C1=O 1030146107 MCKNSSVUSBJHPM-CYBMUJFWSA-N 303.366 -0.379 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)c3cnn(CC)n3)C2)C1=O 1030280727 GUSIPFAKBGBQLU-CYBMUJFWSA-N 318.381 -0.501 30 20 DBED C=CCn1cc(C(=O)NC2CN(CCn3cncn3)C2)nn1 1031071312 OADAAMRHKCFGQR-UHFFFAOYSA-N 302.342 -0.830 30 20 DBED C#Cc1ccc(C(=O)NC2CN(Cc3nc(=O)n(C)[nH]3)C2)nc1 1031277275 CEHLFJOLAYVIBN-UHFFFAOYSA-N 312.333 -0.901 30 20 DBED C#CCCN1CCO[C@@H](CNC(=O)[C@@H]2CCS(=O)(=O)C2)C1 1035438336 LILPPIOVLVJNPQ-OLZOCXBDSA-N 314.407 -0.739 30 20 DBED CC#CCN1CCO[C@H](CNC(=O)c2cc(C(N)=O)ccn2)C1 1035632223 ZFNLDNHTLXBOKA-CYBMUJFWSA-N 316.361 -0.366 30 20 DBED C[C@H]1CN(C(=O)CN2CC(=O)N(C)C2=O)CC[C@@H]1NCC#N 1036263556 RJIBIRYQFKYEJZ-QWRGUYRKSA-N 307.354 -0.769 30 20 DBED C#CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)c1coc(S(N)(=O)=O)c1 1037471125 AWZDUEPVLFMBQZ-QRTLGDNMSA-N 309.347 -0.637 30 20 DBED C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CC(=O)NC1=O 1039477986 RSBONNXLULASHZ-XQQFMLRXSA-N 303.362 -0.262 30 20 DBED CC(C)C#CC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2CCCO2)C1 1039664045 KDNXBSPACDUCKL-BBRMVZONSA-N 308.378 -0.096 30 20 DBED C=CCCC(=O)N1CC[C@@](O)(CNC(=O)[C@H]2CN(C)C(=O)N2)C1 1040485813 OAZKHBCXRONXBU-IAQYHMDHSA-N 324.381 -0.944 30 20 DBED CC(C)C#CC(=O)N1CC[C@@](O)(CNC(=O)[C@H]2CCCN2C)C1 1040494526 FIRYEYOAEAFWJV-RHSMWYFYSA-N 321.421 -0.180 30 20 DBED Cc1ccc(C#N)c(N2C[C@@H](O)[C@H](NC(=O)c3cnn[nH]3)C2)n1 1041434648 NGPMHMJZHBDXDC-VXGBXAGGSA-N 313.321 -0.641 30 20 DBED C[C@H](C(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1)n1cccn1 1041611063 AICHGCJEJLANAI-GFCCVEGCSA-N 316.361 -0.453 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]2OCC)C1 1041685527 IPUAXXOSFIEQRW-VXGBXAGGSA-N 312.366 -0.697 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)[C@H]2OCCO[C@H]2C)C1 1041973404 YWBLBPAGHOXMJV-AAEUAGOBSA-N 312.366 -0.554 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)c2cscn2)C1 1042017585 JRAZYYZOTFOIOM-UHFFFAOYSA-N 311.363 -0.351 30 20 DBED C#CCCN1CC[C@H]2CCN(C(=O)CN3CCOCC3=O)C[C@@H]21 1042098221 NYSHIDPFSMRNFK-GJZGRUSLSA-N 319.405 -0.209 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)Cc2ccon2)C1 1042210251 YPYIZYMHQQRRSO-UHFFFAOYSA-N 305.334 -0.290 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)C2[C@@H]3CCC[C@@H]23)C1 1042386657 LKVFBCUPQWPHDW-VXGBXAGGSA-N 308.378 -0.075 30 20 DBED N#Cc1c[nH]c(C(=O)NCC2(O)CN(C(=O)c3cnco3)C2)c1 1042403473 MCDRTXGSXBFMKJ-UHFFFAOYSA-N 315.289 -0.509 30 20 DBED CCO[C@@H]1C[C@@H]1C(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042959032 UBDBGKARBSCBTC-QWHCGFSZSA-N 306.362 -0.486 30 20 DBED CCc1ncoc1C(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042960999 RAXPDACDEVUJIC-UHFFFAOYSA-N 317.345 -0.047 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042963826 WNTVTUPYXBUGHO-UHFFFAOYSA-N 304.346 -0.871 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)C2CCOCC2)C1 1043040539 UQAILDRJRPRFAL-GFCCVEGCSA-N 324.377 -0.859 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@@H](C)CO2)C1 1044557799 PVYNZLPEFPHTAQ-OLZOCXBDSA-N 308.378 -0.096 30 20 DBED N#CCN1CCC2(CC1)CO[C@@H](CNC(=O)c1cnn[nH]1)C2 1045674932 INAABHYATXKBEV-LLVKDONJSA-N 304.354 -0.071 30 20 DBED C=C[C@@](C)(CC)C(=O)NCC1(O)CN(C(=O)c2cn(C)nn2)C1 1045777872 PWBIJQAOYZLWQO-AWEZNQCLSA-N 321.381 -0.280 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)[C@@H](C)c2cnn(C)c2)C1 1046929828 PNPQWYBHOBVVPD-QWRGUYRKSA-N 319.365 -0.627 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccnn2CCOC)C1 1047422183 HBDFNNXNBYVPMZ-KBPBESRZSA-N 306.366 -0.720 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)c2nc3nccc(C)n3n2)C1 1047618350 CALNQHHNHJTEEN-RYUDHWBXSA-N 316.365 -0.264 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cc2n[nH]c(C)n2)C1 1048817095 NIPNDYQQEUJOBT-RYUDHWBXSA-N 321.381 -0.348 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)c2csnn2)C[C@@H]1O 1049402588 VKEBCDUQENCLKY-HGNGGELXSA-N 309.351 -0.659 30 20 DBED C=CCN1CCOC[C@@H]1CNC(=O)[C@@H]1CCc2nncn2C1 1051255484 QLNFKENRDRAYAS-OLZOCXBDSA-N 305.382 -0.157 30 20 DBED CC(C)C#CC(=O)N1C[C@H](C)[C@H](CNC(=O)CCNC(N)=O)C1 1052549591 VSKWBDOFMDKOEW-QWHCGFSZSA-N 322.409 -0.085 30 20 DBED C#CCN1CC2(C1)CN(C(=O)[C@@H](OC)c1cnn(C)c1)CCO2 1053358715 YKGVGASVXHEZPT-AWEZNQCLSA-N 318.377 -0.346 30 20 DBED C#CCCN1CC2(CC[C@H](CNC(=O)[C@@H]3COCCO3)O2)C1 1053578202 AVWCMDAFVJOUMQ-KGLIPLIRSA-N 308.378 -0.225 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)C[C@@H]3COC(=O)C3)CO2)C1 1053778035 VADOCMWMFHYFRK-STQMWFEESA-N 306.362 -0.078 30 20 DBED CN1CC[C@H](C(=O)N[C@@H]2COC3(C2)CN(CC#N)C3)CC1=O 1053849786 UQMNLPRSJKPPHY-RYUDHWBXSA-N 306.366 -0.662 30 20 DBED Cc1cc(C#N)nc(N2CCN(C(=O)c3cnnn3C)CC2)n1 1055785176 AXYVFOLEQPPFCC-UHFFFAOYSA-N 312.337 -0.252 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@](CO)(NC(=O)c2ccon2)C1 1055801573 OVZDCMPJLONQLW-QMTHXVAHSA-N 306.322 -0.082 30 20 DBED CN1CC[C@H](C(=O)NC2[C@@H]3CN(c4ccc(C#N)nn4)C[C@@H]23)C1 1056228009 NNJYFCOGUFSSGY-CYZMBNFOSA-N 312.377 -0.149 30 20 DBED N#Cc1cnc(N2C[C@H]3C(NC(=O)[C@@H]4CCNC4=O)[C@@H]3C2)cn1 1056355497 LCLPMOQSEPCMFK-GMTAPVOTSA-N 312.333 -0.965 30 20 DBED CC#CCCCC(=O)NCCN(CCO)C(=O)CNC(C)=O 1056817463 SPKNSELDGVDZEU-UHFFFAOYSA-N 311.382 -0.747 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)c1cc(CC)[nH]n1 1057193878 RUKJZZPQYWONPA-UHFFFAOYSA-N 324.381 -0.275 30 20 DBED C=CCCCC(=O)NCCN(CCO)C(=O)[C@@H]1COC(=O)N1 1057478722 QXKBFKOAKXKBNH-NSHDSACASA-N 313.354 -0.612 30 20 DBED C#CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)c1ccoc1 1057583531 SMNZONJOQNFPHP-LBPRGKRZSA-N 308.334 -0.131 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)CCCN1CCCC1 1057859214 VFIZHEIVTMGASF-AWEZNQCLSA-N 324.425 -0.041 30 20 DBED Cc1nc[nH]c1CC(=O)N(CCO)CCNC(=O)[C@@H](C)C#N 1058261784 GMYAPXSBSJFVKS-JTQLQIEISA-N 307.354 -0.643 30 20 DBED C=C[C@](C)(O)CC(=O)NCCN(CCO)C(=O)c1ncccn1 1058520420 HRLODWRUDSHHEW-HNNXBMFYSA-N 322.365 -0.646 30 20 DBED Cc1cc(N2CC[C@@H](NC(=O)[C@H]3CNC(=O)N3)C2)c(C#N)cn1 1058531086 GXPPPZDCBSYVGL-VXGBXAGGSA-N 314.349 -0.362 30 20 DBED Cn1cc(C(=O)N[C@@H]2CCN(c3ccnc(C#N)n3)C2)nc1O 1058532968 POJHGKONCUUXOJ-SECBINFHSA-N 313.321 -0.204 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)CCc1cnn[nH]1 1058870703 MATAYLOLYLKYOW-UHFFFAOYSA-N 321.381 -0.522 30 20 DBED C[C@]1(C(=O)N2CC[C@H](Nc3cncc(C#N)n3)C2)CNC(=O)C1 1059007644 IHVMFKNVIJXQIV-ZUZCIYMTSA-N 314.349 -0.113 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@H]1COCCN1C(=O)c1cc[nH]n1 1061542045 HJADVQGOCVKYDA-ABAIWWIYSA-N 322.365 -0.306 30 20 DBED C=CCOCC(=O)N1CCOC[C@@H]1CNC(=O)c1cnco1 1061731265 ZSEMGYJINFTWFV-NSHDSACASA-N 309.322 -0.166 30 20 DBED C#CCOCCC(=O)NCC1(NC(=O)[C@@H]2CCC(=O)N2)CCC1 1063038577 LQSIIOWVGXUSFH-LBPRGKRZSA-N 321.377 -0.540 30 20 DBED C=CCCC(=O)N1CCO[C@H](CNC(=O)[C@@H](COC)OC)C1 1064957731 PBMBTMBHTMMCAK-CHWSQXEVSA-N 314.382 -0.042 30 20 DBED O=C(Cc1cnoc1)NC[C@H]1CN(C(=O)C#CC2CC2)CCO1 1065137597 XJDJUWHUDZVRFU-AWEZNQCLSA-N 317.345 -0.026 30 20 DBED CN(C(=O)[C@@H]1CCOC1)[C@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1065572969 BTBDYSUHYRWKCC-WOPDTQHZSA-N 317.349 -0.607 30 20 DBED C[C@H]1CN(C(=O)Cn2nccn2)C[C@@H]1Nc1cncc(C#N)n1 1067152837 DARPKBQSIOQJTN-JQWIXIFHSA-N 312.337 -0.101 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)CCCN(C)C(=O)c1cnnn1C 1067310638 OPXKJZXKRZGWTD-LBPRGKRZSA-N 321.381 -0.226 30 20 DBED CCN(CC1CCN(C(=O)C(N)=O)CC1)c1ccnc(C#N)n1 1067637655 IFSCKUBAIUCUBK-UHFFFAOYSA-N 316.365 -0.102 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CCC2(CN(C(=O)c3nc[nH]n3)C2)O1 1068621218 XDGQRYPAXUPNDE-VHSXEESVSA-N 318.337 -0.546 30 20 DBED Cc1cc(C#N)nc(N[C@H]2CCN(C(=O)CC(N)=O)[C@@H]2C)n1 1068808174 VNMFAMKTVKHTNO-KOLCDFICSA-N 302.338 -0.067 30 20 DBED C=CCN[C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@@H]1n1ccnn1 1070212518 ILYDVMUQBLGOJS-MNOVXSKESA-N 306.370 -0.683 30 20 DBED C=CCOCC(=O)N1CCC[C@@H](NC(=O)[C@@H]2CCNC(=O)C2)C1 1070554677 ZVFITYVGYVAIPX-CHWSQXEVSA-N 323.393 -0.178 30 20 DBED C=CCN[C@@H]1CN(C(=O)[C@@H]2COC(=O)N2)C[C@H]1c1cncn1C 1070643153 OKQYOQJJMXHHRV-UTUOFQBUSA-N 319.365 -0.402 30 20 DBED Cn1cncc1[C@@H]1CN(C(=O)c2csnn2)C[C@H]1NCC#N 1070674419 MNLVGPNUFALUCN-NXEZZACHSA-N 317.378 -0.007 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CCCN(C(=O)c2cnnn2C)C1 1070680544 RZNZEKDEUVWLNT-VXGBXAGGSA-N 319.365 -0.426 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)c2ccc(O)nn2)CC1 1070933562 SXUZGQOMEHHXFU-UHFFFAOYSA-N 317.349 -0.921 30 20 DBED C[C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1NC(=O)C#CC(C)(C)C 1071573655 HEWXIYJUUWFDRU-GHMZBOCLSA-N 308.382 -0.333 30 20 DBED Cn1cc(C(=O)N2CC[C@@H]3OCCN(CC#N)[C@@H]3C2)ccc1=O 1074284307 NDIWDWUPOCJUKX-KGLIPLIRSA-N 316.361 -0.176 30 20 DBED C[C@@H](CCNC(=O)c1ccc(C#N)[nH]1)NC(=O)c1cnn[nH]1 1076184187 HLVQFJBNBWMADP-QMMMGPOBSA-N 301.310 -0.057 30 20 DBED C#CCOCCC(=O)N[C@@H](C)CCNC(=O)[C@H]1COC(=O)N1 1076346113 VIURQUXOLRQADF-WDEREUQCSA-N 311.338 -0.854 30 20 DBED C=C(C)CN1C[C@@H]2CCN(C(=O)CN3CC(=O)N(C)C3=O)[C@@H]2C1 1076456770 ZKCPNQYRAVFQEC-QWHCGFSZSA-N 320.393 -0.011 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3cncn3C2)C1 1077260777 VOZHPWMVDLXAAL-BPLDGKMQSA-N 302.378 -0.370 30 20 DBED Cc1nn(CC(=O)N2C[C@H]3CC[C@H]2[C@@H](NCC#N)C3)c(=O)n1C 1079098582 WUNGUFBIOYCNIF-AVGNSLFASA-N 318.381 -0.617 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)Cc2ccn(C)n2)C[C@H]1O 1081336235 VVZNAMWAHANKSO-GXTWGEPZSA-N 320.393 -0.136 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2ncoc2C)C[C@@H]1O 1081343458 CIAOXMHZBHPNRB-RYUDHWBXSA-N 323.349 -0.265 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)CC(C)(C)O)C[C@@H]1O 1081441561 JIQJVLGHTZICCE-STQMWFEESA-N 310.394 -0.114 30 20 DBED C=CCCOCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2cnon2)C1 1081684379 FOLDBEPPZKIVFL-ZYHUDNBSSA-N 324.337 -0.789 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H]2CN(Cc3cncn3C)C[C@@H]21 1083026052 MHPOFSFBEIZGBN-FPMFFAJLSA-N 303.366 -0.009 30 20 DBED C=C(C)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1COCCN1C 1083056266 HOCKHRFLHVGHIW-SOUVJXGZSA-N 309.410 -0.195 30 20 DBED Cn1ncc(C2CCC2)c1C(=O)N[C@@H]1CN(CC#N)C[C@@H]1O 1083475653 WHZMVEIUXGSJLT-OLZOCXBDSA-N 303.366 -0.014 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2ccc3c(n2)OCCO3)C1 1083602916 UFIDAWHEJSCEQZ-MNOVXSKESA-N 304.306 -0.849 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2cnc(C3CC3)nc2O)C1 1083839296 QIXAIVKGGNPPOR-NEPJUHHUSA-N 302.334 -0.532 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCCCN2C(=O)C(C)C)C1 1084084846 CUOPMIUZGDMDJN-ILXRZTDVSA-N 321.421 -0.182 30 20 DBED CN(C[C@H]1CCN1[C@H]1CCNC1=O)C(=O)c1ccc(C#N)[nH]1 1085553601 QKKBFZJAFKFWOW-YPMHNXCESA-N 301.350 -0.079 30 20 DBED C#CCN[C@H]1C[C@H](CNC(=O)[C@H]2CCc3nnc(O)n3C2)C1 1086405178 BSHKVUPAXYRRMV-SRVKXCTJSA-N 303.366 -0.336 30 20 DBED C#CCCN1CC[C@@H]2CN(C(=O)CCn3cnnn3)C[C@@H]2C1 1088150040 IKTDCBMOTOFLNT-KGLIPLIRSA-N 302.382 -0.133 30 20 DBED C#CCN1C[C@H]2[C@@H]3CC[C@@H](CN3C(=O)CS(C)(=O)=O)[C@H]2C1 1089782127 VNMJPPNXRGRBII-DGAVXFQQSA-N 310.419 -0.167 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2ccc3nc[nH]c3n2)[C@@H](O)C1 1090352710 NRVPYSVJJYDNBK-SKDRFNHKSA-N 300.322 -0.354 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2cccc(=O)n2C)[C@@H](O)C1 1090552750 FWHZHQOMMSLTLE-JSGCOSHPSA-N 303.362 -0.426 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2nccn3ccnc23)[C@@H](O)C1 1090580549 KLIRJAYXLSCMHX-OLZOCXBDSA-N 313.361 -0.082 30 20 DBED COCc1ncsc1C(=O)N[C@@H]1CCN(CC#N)C[C@H]1O 1090635024 YWXVGVHXHFCRKX-MWLCHTKSSA-N 310.379 -0.022 30 20 DBED CNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1 1092550939 YZAOTEGKHBVLDQ-GHMZBOCLSA-N 303.366 -0.070 30 20 DBED CC(C)C#CC(=O)NC1[C@H]2CN(c3ccc4nnnn4n3)C[C@H]12 1093256836 VVJXQFOWIDBGRC-QWRGUYRKSA-N 311.349 -0.271 30 20 DBED C[C@H](NC(N)=O)C(=O)N[C@H]1[C@@H]2CN(c3ccncc3C#N)C[C@@H]21 1093258528 MKISXCLHZZYSKH-MVVXRAEJSA-N 314.349 -0.439 30 20 DBED C=CCN1CC(OC2CCN(C(=O)[C@H]3COC(=O)N3)CC2)C1 1093532878 LJTOVLOEZLXFES-CYBMUJFWSA-N 309.366 -0.027 30 20 DBED CC(=O)N1CC[C@H](C(=O)NCCNc2ccc(C#N)nn2)C1 1093781436 MPGCPGNLJKHZFF-NSHDSACASA-N 302.338 -0.255 30 20 DBED Cc1cc(C#N)nc(NCCNC(=O)C[C@@H](C)NC(N)=O)n1 1093884378 ADWPSXKVUXTMSI-SECBINFHSA-N 305.342 -0.368 30 20 DBED Cn1ncc(Cl)c1C(=O)NCCN=c1cc[nH]c(C#N)n1 1093889743 LUDASPWBHRPJJB-UHFFFAOYSA-N 305.729 -0.001 30 20 DBED N#Cc1nc(=NCCNC(=O)c2ccc3nnnn3c2)cc[nH]1 1093986110 APGOFJXCYKZVPZ-UHFFFAOYSA-N 309.293 -0.950 30 20 DBED N#Cc1c(F)cccc1NCCNC(=O)C[C@@H]1NC(=O)NC1=O 1094214838 RRWFLHBRUVHHPY-NSHDSACASA-N 319.296 -0.176 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)Cc3cnoc3)CC2=O)C1 1094779530 TVAORAKFFJNBAX-LBPRGKRZSA-N 302.334 -0.748 30 20 DBED C#CCCN1CC(N2C[C@H](NC(=O)[C@H]3OCC[C@H]3C)CC2=O)C1 1094787286 QYIIFCSJVVGAGS-IOASZLSFSA-N 319.405 -0.164 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)CC2=O)C1 1094787895 JWWNZMFCRUXGRZ-NGFQHRJXSA-N 317.389 -0.412 30 20 DBED CCC(=O)NCC(=O)NCCCN(C)c1ccc(C#N)nn1 1095498647 YWAUVOFZYJQJAG-UHFFFAOYSA-N 304.354 -0.183 30 20 DBED CN(CCCNC(=O)C1CS(=O)(=O)C1)c1cncc(C#N)n1 1095649787 PTUNEDBXBVBUTH-UHFFFAOYSA-N 323.378 -0.665 30 20 DBED N#Cc1cncc(N[C@H](CNC(=O)[C@H]2C[C@H]2C(N)=O)C2CC2)n1 1096808732 BPXKOMGEWKIBFN-GRYCIOLGSA-N 314.349 -0.224 30 20 DBED CC(=O)N(C)CC(=O)N[C@H]1C[C@@H](N=c2cc[nH]c(C#N)n2)C1 1097151624 BMJOGKPSCXIISB-PHIMTYICSA-N 302.338 -0.692 30 20 DBED C[C@H](CNC(=O)CNC(=O)C1CC1)N=c1cc[nH]cc1C#N 1097687454 ZCLMXONCANROFS-SNVBAGLBSA-N 301.350 -0.182 30 20 DBED CCCC(=O)NCC(=O)NC[C@H](C)N=c1cc[nH]c(C#N)n1 1097699817 PVIPHQKMSJQRBN-JTQLQIEISA-N 304.354 -0.397 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H](C)N=c1cc(C)[nH]cc1C#N 1097768892 UYXNQCRXCIHPFL-GFCCVEGCSA-N 313.361 -0.260 30 20 DBED C[C@@H](CNC(=O)[C@H](C)N1CCOCC1)Nc1ccc(C#N)nn1 1097925299 LKPLJBIHWYCGJW-RYUDHWBXSA-N 318.381 -0.014 30 20 DBED C[C@@H](CC(=O)NC[C@@H](C)Nc1cncc(C#N)n1)NC(N)=O 1098075961 JLWSLGXZOWJTSP-DTWKUNHWSA-N 305.342 -0.288 30 20 DBED CCN1CCOC[C@H]1C(=O)NC[C@H](C)Nc1nccnc1C#N 1098128346 DITWVMFVFGXIMA-AAEUAGOBSA-N 318.381 -0.014 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CCS(=O)(=O)C1)N=c1cc[nH]cc1C#N 1098136324 FCPKPBWBCCRYRB-WDEREUQCSA-N 322.390 -0.274 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)[C@H]1CNC(=O)N1)C[C@H](C)O2 1098630550 HYTJKNPVSKYAET-QWHCGFSZSA-N 320.393 -0.617 30 20 DBED C[C@@H](CCNC(=O)Cn1cncn1)Nc1cncc(C#N)n1 1099147075 JLDYHXFQTWNGNO-JTQLQIEISA-N 300.326 -0.053 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)C2=CCCC2)[C@@H](O)C1 1099766035 FSNSJKQWXDJJFX-KGLIPLIRSA-N 305.378 -0.603 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)C(C)=C2CCC2)[C@H](O)C1 1099811944 AGTKNJVVKVCIIL-HUUCEWRRSA-N 319.405 -0.212 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)CC(C)(F)F)[C@H](O)C1 1099991127 FZEQBQFONPWUCT-WDEREUQCSA-N 317.336 -0.668 30 20 DBED C=C(Cl)CN1CC[C@@H](NC(=O)CCNC(N)=O)[C@@H](O)C1 1100103605 OSUCWHAAAWSVJQ-ZJUUUORDSA-N 304.778 -0.651 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@H]2CN(CC(=O)NCC)C[C@@]2(C)C1 1101233636 OXSAZIJITIGYGB-CPUCHLNUSA-N 321.421 -0.059 30 20 DBED C#CCNC(=O)CC(=O)NCCN(c1cnc(F)cn1)C1CC1 1101317525 DSBMXDFROCYZHC-UHFFFAOYSA-N 319.340 -0.160 30 20 DBED C=CCOCC(=O)N(C)CCN=c1cc[nH]c(C(=O)OC)n1 1101546309 VGYSNVJPMQJDIY-UHFFFAOYSA-N 308.338 -0.242 30 20 DBED COCC(=O)NCCC(=O)N(C)CCNc1nccnc1C#N 1102004366 NPIABUXHVWAUPF-UHFFFAOYSA-N 320.353 -0.629 30 20 DBED CC[C@H](CNC(=O)[C@@H]1COCCN1C)Nc1nccnc1C#N 1103036748 QTRSJKWNEJMSIE-YPMHNXCESA-N 318.381 -0.014 30 20 DBED C[C@@H](CNC(=O)c1ncn(C)n1)CNc1nccnc1C#N 1103929418 YETSKCYCWLSWDO-SECBINFHSA-N 300.326 -0.045 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)[C@@H]1CCC(=O)N1C 1104180546 WUDDGNOTOSPYPU-MNOVXSKESA-N 316.365 -0.445 30 20 DBED C[C@@H](CNC(=O)c1nnn(C)n1)CNc1nccnc1C#N 1104181711 IENXDZKVLOHUGG-MRVPVSSYSA-N 301.314 -0.650 30 20 DBED C#CCNCc1cn(C2CN(C(=O)[C@H]3C[C@H]4CC[C@H]3O4)C2)nn1 1105195104 ZAOSGEXXIOXHDL-QLFBSQMISA-N 315.377 -0.048 30 20 DBED CN(CCN(C)c1ccc(C#N)cn1)C(=O)C1CS(=O)(=O)C1 1105479880 SYBQZLXIGHEQNZ-UHFFFAOYSA-N 322.390 -0.108 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H](O)CNC(=O)C[C@H]1CCCO1 1105718703 PEAQJZDUQKQDCJ-CHWSQXEVSA-N 304.350 -0.167 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H](O)CNC(=O)Cc1cccnc1 1105819375 DIMRSTMWVBOKPK-CQSZACIVSA-N 311.345 -0.098 30 20 DBED Cc1nonc1C(=O)NC[C@H](O)CNc1nccnc1C#N 1105884701 OPDRMMOOAMEZAL-MRVPVSSYSA-N 303.282 -0.758 30 20 DBED C=CCO[C@@H](C)C(=O)NC[C@H](O)CNc1cnc(C#N)cn1 1105892313 VJPAZXNVERRXOA-CMPLNLGQSA-N 305.338 -0.172 30 20 DBED C[C@H]1CCN(CC(=O)NC[C@H](O)CNc2cncc(C#N)n2)C1 1106104068 GZUYPNKAMHKZFG-WCQYABFASA-N 318.381 -0.421 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@@H](C)[C@H](CNCC(=O)NC2CC2)C1 1106111755 QYRVZSJZIBCUHF-MGPQQGTHSA-N 321.421 -0.013 30 20 DBED C=CCNC[C@@H]1CN(C(=O)c2cn(CC(N)=O)nn2)C[C@H]1C 1107034101 ITOQCUICAHJOIH-GHMZBOCLSA-N 306.370 -0.753 30 20 DBED N#Cc1cnc(NC/C=C/CNC(=O)[C@@H]2COCCO2)cn1 1107043556 FSBRCXYZYVHNBQ-ISUDXETCSA-N 303.322 -0.152 30 20 DBED CN(CC(=O)NCc1cn(C2CN(CC#N)C2)nn1)C1CCC1 1107179087 AHIDORJOHXDFNE-UHFFFAOYSA-N 317.397 -0.241 30 20 DBED N#Cc1cnc(NC/C=C/CNC(=O)c2c[nH]c(=O)cn2)cn1 1107490979 ZQSJNQMEQNTXFF-OWOJBTEDSA-N 311.305 -0.170 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)c1cnn(C)c1N 1107690330 UPHKXSBELLPVIO-MRVPVSSYSA-N 300.326 -0.684 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)CNc1nccnc1C#N 1107695854 QTBZMNGPRSQNKV-SNVBAGLBSA-N 300.322 -0.596 30 20 DBED COc1ccc(C(=O)N[C@@H](C)CN=c2cc[nH]c(C#N)n2)nn1 1108500093 ZETNSKVSDKZPCT-VIFPVBQESA-N 313.321 -0.201 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)C[C@@H](C)NC(N)=O)CC2=O)C1 1108544799 KGWXTEGUPIBOIV-MNOVXSKESA-N 323.397 -0.979 30 20 DBED Cc1cc(=NCCCN(C)C(=O)[C@@H]2CNC(=O)N2)c(C#N)c[nH]1 1109598732 LGOVEXLXAKSWFB-ZDUSSCGKSA-N 316.365 -0.375 30 20 DBED N#Cc1cnc(NC[C@@H](NC(=O)Cn2cnnn2)C2CC2)cn1 1109775088 ABKVWKIONWNFJO-LLVKDONJSA-N 313.325 -0.658 30 20 DBED C#CCOCCC(=O)NC[C@@]1(O)CCN(c2ccc(C)nn2)C1 1111097569 CBLJHKQGOCJGTO-INIZCTEOSA-N 318.377 -0.118 30 20 DBED C[C@H](NC(N)=O)C(=O)NCC1(Nc2cnc(C#N)cn2)CCC1 1111786414 QATIKRPLHUZZKX-VIFPVBQESA-N 317.353 -0.144 30 20 DBED C#CCNC(=O)CC(=O)N1CCN(CC[C@H]2CCCO2)CC1 1112777998 WJFKDABIMKZYLT-CQSZACIVSA-N 307.394 -0.161 30 20 DBED C=C(C)CCN1CCN(C(=O)CNC(=O)CNC(C)=O)CC1 1113030182 OOHXVJDZQWAQFX-UHFFFAOYSA-N 310.398 -0.651 30 20 DBED C[C@H](CNC(=O)[C@H]1CCC(=O)N1C)N(C)c1cnc(C#N)cn1 1113830580 WBPVLCQJUMUEKF-ZYHUDNBSSA-N 316.365 -0.090 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)c3ccnn3C)[C@@H]2C1 1113990119 JLMDBVNGNFNBKU-QJPTWQEYSA-N 317.393 -0.229 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC)C[C@@H]21 1114420943 KCKYXRRSFIOLOM-KNCOVGOOSA-N 318.421 -0.734 30 20 DBED Cc1ncnc(O)c1CCC(=O)NC1[C@@H]2CN(CC#N)C[C@@H]12 1114516284 UZOJVNIEBMTZSX-VXGBXAGGSA-N 301.350 -0.007 30 20 DBED COCC(C)(C)C(=O)NC1[C@H]2CN(CC(=O)NCC#N)C[C@H]12 1114568491 QKPZHPCFVZWSET-QWRGUYRKSA-N 308.382 -0.655 30 20 DBED C=CCCCC(=O)NC1[C@H]2CN(CCNS(C)(=O)=O)C[C@H]12 1114759280 GGNWYCRXSSBPCP-RYUDHWBXSA-N 315.439 -0.062 30 20 DBED C[C@H](CCCN=c1cc[nH]c(C#N)n1)NC(=O)[C@@H]1COCCO1 1114865754 CDTDHPDOTHDKGD-NEPJUHHUSA-N 319.365 -0.118 30 20 DBED C=CCOCCN1C[C@@H]2C(NC(=O)C3CC(=O)NC(=O)C3)[C@H]2C1 1114965315 IFYFVETWMRSVQL-RYUDHWBXSA-N 321.377 -0.712 30 20 DBED C#CCN1C[C@@H]2C(NC(=O)COCc3nc(CC)no3)[C@H]2C1 1115100905 LLXKMAUNYMEBRE-QWRGUYRKSA-N 304.350 -0.172 30 20 DBED C[C@@H](CN(C)C(=O)[C@@H]1COCCN1C)Nc1ccc(C#N)nn1 1115682009 FDRWDOVXVCRQOS-AAEUAGOBSA-N 318.381 -0.062 30 20 DBED C[C@@H](CN(C)C(=O)Cn1cnnc1O)Nc1nccnc1C#N 1115687357 OOOLVGVWIWRACK-VIFPVBQESA-N 316.325 -0.396 30 20 DBED C#CCN1CCN(C(=O)CN[C@H](C(=O)OCC)C2CC2)CC1 1118224559 JQWPBSBKYJYTSQ-HNNXBMFYSA-N 307.394 -0.305 30 20 DBED CC#CC[C@@H](CO)NC(=O)C(=O)Nc1cccc(C(=O)OC)n1 1118245328 BKSCHEWRAYZENB-JTQLQIEISA-N 319.317 -0.303 30 20 DBED C=CC(C)(C)Cn1nnnc1N1CCN2C(=O)NC(=O)[C@@H]2C1 1120247034 NQVDAHWGMMXTEZ-VIFPVBQESA-N 305.342 -0.374 30 20 DBED CC(C)(C#N)C[C@H](O)CNCCN1CCS(=O)(=O)CC1 1120481533 QOIMETBGPJVYHE-LBPRGKRZSA-N 303.428 -0.393 30 20 DBED CCC(=O)N[C@H](C)C(=O)N(C)C[C@H](C)N=c1cc[nH]c(C#N)n1 1120799686 GPGOTJCDDWFGBH-WDEREUQCSA-N 318.381 -0.056 30 20 DBED Cc1cccc(C(=O)NC[C@H](CO)N=c2cc[nH]c(C#N)n2)n1 1121072815 BOKYCZUELPYZPS-LLVKDONJSA-N 312.333 -0.324 30 20 DBED N#Cc1nc(=N[C@H](CO)CNC(=O)Cc2ccsc2)cc[nH]1 1121151056 UDXXZIDIPWBPPS-NSHDSACASA-N 317.374 -0.037 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@H](CO)Nc1cncc(C#N)n1 1121405415 NEZRELGWBNJSED-RISCZKNCSA-N 305.338 -0.436 30 20 DBED C=CCn1c([C@H](O)COC)nnc1N(C)CCS(C)(=O)=O 1121732616 PPCYKSZIHHXBOT-SNVBAGLBSA-N 318.399 -0.375 30 20 DBED Cc1noc(C(=O)NC[C@@H](CO)N=c2cc[nH]c(C#N)n2)c1C 1122171023 ZIEVTKRYRHWDBB-JTQLQIEISA-N 316.321 -0.422 30 20 DBED CN(C[C@H](O)CNc1cncc(C#N)n1)C(=O)c1cnn(C)c1 1124030942 WAIYELVTQYTCOR-GFCCVEGCSA-N 315.337 -0.373 30 20 DBED CCNC(=O)CC(=O)N(C)C[C@H](O)CNc1ccc(C#N)nn1 1124314647 HBZKRIKSQYKNIZ-LLVKDONJSA-N 320.353 -0.894 30 20 DBED CN(C[C@H](O)CNc1ccc(C#N)nn1)C(=O)[C@]1(F)CCOC1 1124665899 VIJQIQFGTXURFV-RISCZKNCSA-N 323.328 -0.292 30 20 DBED CO[C@@H](C(=O)N(C)C[C@H](O)CN=c1cc[nH]c(C#N)n1)C(C)C 1124729213 XXXCUOLYSPIYGS-BXUZGUMPSA-N 321.381 -0.328 30 20 DBED CN(C[C@H](O)CN(C)c1cnc(C#N)cn1)C(=O)c1cnon1 1125139733 NOVOYIGVKGLDSX-SNVBAGLBSA-N 317.309 -0.699 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)c1ccc(C#N)[nH]1 1125776094 GTQMBPFVLXIPKT-UHFFFAOYSA-N 316.365 -0.032 30 20 DBED C=C(C)[C@H](CC(=O)NCCNCC(=O)NC(=O)NC)OCC 1128528415 MJLBMTVSVJMJSM-NSHDSACASA-N 314.386 -0.481 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1cncc(COC)c1 1129779434 HVOXQQKYPSTATF-UHFFFAOYSA-N 306.366 -0.150 30 20 DBED COCC#CCNCCNC(=O)COc1c(C)occc1=O 1131138283 UTAHKOPIQFDUHA-UHFFFAOYSA-N 308.334 -0.317 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)[C@@H](COC)OC)C[C@@]3(C1)O2 1131264278 MAOBNKUVNFJYKB-DSJMHWKBSA-N 308.378 -0.417 30 20 DBED COCC#CCN1C[C@H](NC(=O)CNC(=O)OC)CC[C@@H]1C 1131843860 OLNNNHXLQCNRKE-QWHCGFSZSA-N 311.382 -0.039 30 20 DBED C=CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)CS(C)(=O)=O 1133834819 CYTGDJCSQUCHLC-MNOVXSKESA-N 319.427 -0.794 30 20 DBED CC#CCN[C@@H](C)C[C@@H](C)NC(=O)CN(C)S(C)(=O)=O 1134509096 MSHGZMUXRWPBFT-NWDGAFQWSA-N 303.428 -0.226 30 20 DBED C=CCCCN[C@H](C)C[C@@H](C)NC(=O)CNS(=O)(=O)NC 1135118296 HHGRPHNKCDEMJL-VXGBXAGGSA-N 320.459 -0.121 30 20 DBED CC#CCN(CC)[C@H](C)CNC(=O)c1cn(C)c(=O)nc1O 1156882744 LEMPTRSAQUAXPW-LLVKDONJSA-N 306.366 -0.051 30 20 DBED CN(CC#N)C[C@H]1CCCCN1C(=O)CN(C)S(C)(=O)=O 1158035843 MXNUYBKKOUASTB-GFCCVEGCSA-N 316.427 -0.286 30 20 DBED C#Cc1cncc(C(=O)NCCCN[C@H]2CCC(=O)NC2=O)c1 1166299268 OLUKEFMZUREWFO-ZDUSSCGKSA-N 314.345 -0.422 30 20 DBED N#CCNC(=O)CNCCCNC(=O)c1nccc2[nH]ccc12 1166918740 YLXXQBRRRTYUCF-UHFFFAOYSA-N 314.349 -0.088 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1c(C)nn(C)c1OC 1167491816 QGYAWZVGGKKMET-UHFFFAOYSA-N 321.381 -0.804 30 20 DBED C=C(Cl)CNCCCNC(=O)[C@H]1CCN(C)S1(=O)=O 1168086493 UITIBGCMCNUJFJ-SNVBAGLBSA-N 309.819 -0.131 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)CCc1ncccn1 1168882766 GSIGXMGXVBQMHU-ZDUSSCGKSA-N 317.393 -0.357 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1cc(CC)cnc1O 1169817123 BMYWNNKZHMXEDJ-UHFFFAOYSA-N 318.377 -0.192 30 20 DBED C=CCNC[C@H]1C[C@H]2CC[C@H]1N(C(=O)CS(=O)(=O)NC)C2 1177947036 NLAHFRDKOBPZJN-JHJVBQTASA-N 315.439 -0.062 30 20 DBED COCC#CCN[C@H]1CCN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)[C@H]1C 1179538879 JSVAAFHDGHRXJN-XGUBFFRZSA-N 321.421 -0.061 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)CC2OCCCO2)C1 1182173670 OMNYCIHGVJRAEG-GFCCVEGCSA-N 309.366 -0.921 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)c2cn3c(n2)COCC3)C1 1183621991 QZEPIEQLGUWMJQ-CYBMUJFWSA-N 318.377 -0.133 30 20 DBED Cc1cc(C(=O)N2CC[C@H](N(C)CC(=O)NCC#N)C2)n(C)n1 1189116769 XHTZTJYKWQHAFQ-LBPRGKRZSA-N 318.381 -0.485 30 20 DBED CN(CC(=O)NCC#N)[C@@H]1CCN(C(=O)Cc2cccnc2)C1 1189651949 LSTZTTUBJGRENL-CQSZACIVSA-N 315.377 -0.203 30 20 DBED Cc1nnccc1C(=O)N1CC[C@H](N(C)CC(=O)NCC#N)C1 1191159855 BJYLDRFIEHYTGL-LBPRGKRZSA-N 316.365 -0.429 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)[C@]2(C)CNC(=O)C2)C1 1191490902 QPORDPFKFIWBKH-WBMJQRKESA-N 322.409 -0.653 30 20 DBED C=CCOCC(=O)N[C@@H]1CN([C@@H]2CCN(CC=C)C2=O)C[C@H]1O 1191771850 SAPDGIZTWHRXCQ-MGPQQGTHSA-N 323.393 -0.863 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C[C@H]2CCc3ncnn32)C[C@H]1O 1191777210 GKISFRWFJWLYPB-JHJVBQTASA-N 321.381 -0.871 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(C[C@H](O)COC)C[C@H]2O)cc1 1195204380 DPQIJKFYZOVVGQ-ARFHVFGLSA-N 318.373 -0.550 30 20 DBED C#CCNC(=O)CC(=O)N1CCCN([C@H](C)C(=O)N(C)C)CC1 1195588873 XVRMBPITSGHDST-CYBMUJFWSA-N 322.409 -0.863 30 20 DBED CCn1nccc1C(=O)N1CCCN(CC(=O)NCC#N)CC1 1195606051 ZDUYCIXWVULCAA-UHFFFAOYSA-N 318.381 -0.309 30 20 DBED CC[C@@H](C)C(=O)N1CCCO[C@@H](CNCC(=O)NCC#N)C1 1199886031 DTFIOXXBRNZPDN-OLZOCXBDSA-N 310.398 -0.121 30 20 DBED C=CCOCCCC(=O)N1CCCO[C@H](CNCC(N)=O)C1 1200206740 KZRXTUKTNLOJKH-CYBMUJFWSA-N 313.398 -0.338 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)Cc2cncnc2)CC1 1200291611 MNPCINIYDACBPL-UHFFFAOYSA-N 317.393 -0.098 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC(NCC(=O)N2CCC2)CC1 1200494389 BJSQUSFBPBXMHT-CYBMUJFWSA-N 307.394 -0.162 30 20 DBED N#CCNC(=O)CNC1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 1202575649 SUVWNUVDMSHVJS-MCIONIFRSA-N 320.393 -0.226 30 20 DBED C#CCNC(=O)CN[C@@H]1C[C@@H](NC(=O)c2nc[nH]n2)C12CCC2 1203499536 IBKMVHOYDNUJJN-GHMZBOCLSA-N 316.365 -0.815 30 20 DBED C=CCNC(=O)CNCC1CCN(C(=O)CNC(C)=O)CC1 1204310068 VXQPVAYTMUQNLF-UHFFFAOYSA-N 310.398 -0.747 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2CCNC(=O)C2)C1 1207789838 OVDVDZQMDXLNJR-OLZOCXBDSA-N 322.409 -0.605 30 20 DBED C=CCCOCC(=O)N1CCC[C@H](NCc2nnnn2C)C1 1211355817 XHNIFUXRHUNPIG-LBPRGKRZSA-N 308.386 -0.117 30 20 DBED C=CCOCC(=O)N[C@@H]1CN([C@H]2CCCNC2=O)C[C@H]1OC 1212032355 WXSTYXJNDDCYCI-FRRDWIJNSA-N 311.382 -0.717 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2cc[nH]c2C)[C@H](OC)C1 1212087062 NJHUFCXBRFAFOR-ZIAGYGMSSA-N 318.377 -0.498 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(CCOCC=C)C[C@H]1OC 1212150407 XAYOHLGQAAJCMY-ZIAGYGMSSA-N 323.393 -0.856 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)C(C)(C)C=C)[C@H](OC)C1 1213268662 PGGLJAFVWSUGMA-CHWSQXEVSA-N 307.394 -0.237 30 20 DBED CC#CCN1C[C@@H](NC(=O)COC[C@H]2CCOC2)[C@H](OC)C1 1213507114 XZSJGSXRNGCJOB-RRFJBIMHSA-N 310.394 -0.122 30 20 DBED C=C(C)CCN1C[C@@H](NC(=O)CCn2cnnn2)[C@H](OC)C1 1213618081 MSUYSSDFBMEDGE-CHWSQXEVSA-N 308.386 -0.155 30 20 DBED C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1NCc1nc(O)n[nH]1 1214169871 HLXHBMQPMLXQOK-RKDXNWHRSA-N 310.383 -0.296 30 20 DBED COC[C@@H](O)CN[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C 1214406906 LBZCXAFMZDLXGU-SCDSUCTJSA-N 306.366 -0.056 30 20 DBED C=CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)COCc1ncnn1C 1218886713 FFAMWZFTTIMGAK-QWHCGFSZSA-N 321.381 -0.571 30 20 DBED CCN(C(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H](C)C#N)C1)C1CC1 1219383197 GKDSUHDCGLIPEV-UHTWSYAYSA-N 308.382 -0.682 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)[C@H]2CN3CCC2CC3)C1 1219643031 BVIYQEKZWAEFFN-XHSDSOJGSA-N 321.421 -0.861 30 20 DBED C=CCCCN1C[C@H](O)[C@H](NC(=O)c2cnc(O)n(C)c2=O)C1 1220118707 RMAYUMYOHOUNMF-NEPJUHHUSA-N 322.365 -0.773 30 20 DBED C[C@H](C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@@H]1O)c1ccco1 1220342617 IEKOBJBIFITHFU-TUAOUCFPSA-N 320.349 -0.816 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@@](C)(NC(C)=O)C2CC2)C1 1220744434 JLSLGBYSYYZJPG-YCPHGPKFSA-N 307.394 -0.524 30 20 DBED CC(C)N1CCC(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)CC1 1256862173 AHVUCGYDTJBWPD-ZDUSSCGKSA-N 308.382 -0.274 30 20 DBED C=C[C@H](COC)NC(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1 1320322820 UNNSVXRLFOBPPQ-NXEZZACHSA-N 316.383 -0.596 30 20 DBED CNC(=O)Cn1cc(NC(=O)C(=O)N2CC[C@](F)(C#N)C2)cn1 1321711964 HTPDRCOKYWCFEO-ZDUSSCGKSA-N 322.300 -0.968 30 20 DBED COCCN1CC[C@@H](NC(=O)C(=O)N2CC[C@](F)(C#N)C2)C1 1322811945 QGDIERRFTPFOTM-RISCZKNCSA-N 312.345 -0.713 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)NC[C@H](OC)C(C)C 1329802684 ZYOVOOYZQWSZRC-NSHDSACASA-N 320.411 -0.509 30 20 DBED C=C[C@@H]1CCCCN1C(=O)C(=O)N1C[C@H]2C(=O)N(C)C(=O)[C@H]2C1 1330479193 UMRFYWMLIVMGMG-UTUOFQBUSA-N 319.361 -0.373 30 20 DBED C=C[C@@H]1CCCCN1C(=O)C(=O)N(C)CCNS(C)(=O)=O 1331234292 SGABOBAECBEUQR-LLVKDONJSA-N 317.411 -0.439 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1Cn1nnnc1N1CC(=O)N[C@@H](C)C1 1344129151 BJGQBWZWAYWCJI-LOWVWBTDSA-N 306.370 -0.021 30 20 DBED C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)OCC(=O)NC1(C#N)CCC1 1346189528 IJEPYDGCBXQPJH-CABZTGNLSA-N 323.349 -0.632 30 20 DBED N#Cc1ccc(NC(=O)C(=O)NCCN2CCCOCC2)nc1 1347665866 CEHSZGBJDALSQQ-UHFFFAOYSA-N 317.349 -0.270 30 20 DBED N#CC1CCC(CNC(=O)C(=O)N2CCC(O)(CO)CC2)CC1 1350854170 WEPOJNVLWGHRAW-UHFFFAOYSA-N 323.393 -0.222 30 20 DBED CON(C)C(=O)[C@@H](C)NC(=O)C(=O)Nc1ccn(CCC#N)n1 1351606218 VWLXGJPIAJKORU-SECBINFHSA-N 322.325 -0.740 30 20 DBED C=CCN1CC[C@H](OC(=O)[C@]2(OC)CCS(=O)(=O)C2)C1=O 1353348991 PYCMOCDNGMYIRP-GWCFXTLKSA-N 317.363 -0.480 30 20 DBED Cn1ccnc1CNC(=O)CCn1cc(C#N)c(O)nc1=O 1362112372 VUVGGSIYCYGGIH-UHFFFAOYSA-N 302.294 -0.739 30 20 DBED C[C@H]1CN(C(=O)CCn2cc(C#N)c(O)nc2=O)CC[C@@H]1O 1362688609 PNMBEFUBGJCWJL-ONGXEEELSA-N 306.322 -0.560 30 20 DBED CC[C@H](C)[C@@H](CNC(=O)Cn1cc(C#N)c(O)nc1=O)OC 1363297767 HANJVOBEDQASIO-GXSJLCMTSA-N 308.338 -0.002 30 20 DBED N#Cc1cn(CCNC(=O)NCc2cccnc2)c(=O)nc1O 1364192072 MUMQFCLNNCKBND-UHFFFAOYSA-N 314.305 -0.285 30 20 DBED C=C(Cl)CN[C@@H](C)CCNC(=O)Cn1ncn(C)c1=O 1371777567 CWBKRSPMPJEATA-JTQLQIEISA-N 301.778 -0.181 30 20 DBED COC(=O)NCC(=O)N[C@@H](C)CNC(=O)c1ccc(C#N)[nH]1 1372852804 MXDLFCYHCJEZMN-QMMMGPOBSA-N 307.310 -0.523 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CN(C)C(=O)C1(C)CCOCC1 1384250426 ZVIMTSGETXWFNU-NEPJUHHUSA-N 311.382 -0.102 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CCCN(C(=O)c2cc(=O)n(C)cn2)C1 1388969559 PCHFROQNCVODNK-QWRGUYRKSA-N 317.349 -0.339 30 20 DBED C[C@@H](CNC(=O)[C@H](C)C#N)NC(=O)[C@@H]1Cc2cncn2C(=O)N1 1389475798 XESSEWVFBSIBBJ-YWVKMMECSA-N 318.337 -0.854 30 20 DBED C=C(Cl)CN[C@H](C)[C@@H]1CN(C(=O)CNC(=O)NC)CCO1 1394331946 GDPKJDMHXOAOJK-MNOVXSKESA-N 318.805 -0.127 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1ncn(C(C)(C)C)n1 1399869365 NMJPFCKFIGMRBK-VHSXEESVSA-N 322.369 -0.600 30 20 DBED N#Cc1cn(CCNC(=O)C[C@@H]2CCCC[C@H]2O)c(=O)nc1O 1413305164 AKZNHRZWOVSQCT-CMPLNLGQSA-N 320.349 -0.122 30 20 DBED CCNC(=O)NC(=O)[C@@H](C)N1CC(CNC(=O)[C@H](C)C#N)C1 1419011888 XHJWLCMMOGKSSQ-NXEZZACHSA-N 309.370 -0.572 30 20 DBED C[C@H](C#N)C(=O)N(C)C1CCN(C(=O)CCn2cnnn2)CC1 1424830734 WYIXHKCKSXPUOZ-LLVKDONJSA-N 319.369 -0.328 30 20 DBED CC1(C)[C@@H](O)C[C@H]1NC(=O)CCn1cc(C#N)c(O)nc1=O 1433917664 FQWLSDBICCDUOG-ZJUUUORDSA-N 306.322 -0.514 30 20 DBED C[C@H](C#N)C(=O)N1CCC(NC(=O)CCS(C)(=O)=O)CC1 1446776396 YYCFNXGHMUVYKP-SNVBAGLBSA-N 315.395 -0.312 30 20 DBED COCCN(CCNC(=O)[C@H](C)C#N)C(=O)Cn1ccnc1C 1452150857 KFIRSNDOXTXLIL-GFCCVEGCSA-N 321.381 -0.058 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)C2(NC(N)=O)CC2)CCCC1 1457035269 IRMKXMASCRATHH-JTQLQIEISA-N 321.381 -0.108 30 20 DBED C#CCN(C)CCCNC(=O)NCCN1CCC2(C1)OCCO2 1527878910 UNVSJLUBBAFWKM-UHFFFAOYSA-N 324.425 -0.311 30 20 DBED N#CC1(C(=O)O)CCN(C(=O)c2cnn(C[C@@H](O)CO)c2)CC1 1571152460 BWDHUDBFJAIPDS-LLVKDONJSA-N 322.321 -0.933 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 1573570785 UBEMHYAMYGBMSJ-VIFPVBQESA-N 313.325 -0.535 30 20 DBED N#CC1(C[C@@H](O)CN2CCOC[C@@]2(CN)CO)CCOCC1 1580038985 XCTHLVZLOQXBLG-UKRRQHHQSA-N 313.398 -0.920 30 20 DBED C#CCC1(O)CCN(C(=O)CN2CCC[C@@H](C(=O)O)C2=O)CC1 1588431921 RBJBOOLCRWOWCL-GFCCVEGCSA-N 322.361 -0.314 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)Cn2ccc(C(=O)O)n2)C1=O 1588836838 KAHLTIFSKZJTQV-NSHDSACASA-N 306.322 -0.173 30 20 DBED C[C@](O)(CNC(=O)CNC(=O)c1ccc(C#N)cc1)C(=O)O 1589139249 PQMMUAZCGCBZSJ-AWEZNQCLSA-N 305.290 -0.760 30 20 DBED CC(C)C#CC(=O)NC[C@H](CO)Nc1ncc(C(=O)O)cn1 1590928071 QHMJJFOPPCMRLD-LLVKDONJSA-N 306.322 -0.277 30 20 DBED N#CCC1(O)CN(S(=O)(=O)c2csnc2C(=O)O)C1 1608181803 OMULLCADMAXXMG-UHFFFAOYSA-N 303.321 -0.510 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@H](NC[C@@H](O)COC)C1 1713924420 REBGZRJDXUOZRY-ZNMIVQPWSA-N 309.410 -0.718 30 20 DBED C#CCNC[C@@H]1CCN(C(=O)C[C@@]2(C)CCS(=O)(=O)N2)C1 1752957749 GBQLBZYDURWDSD-GXTWGEPZSA-N 313.423 -0.470 30 20 DBED C=CCN1CC[C@H](N2CC[C@@H](CCNC(=O)C(N)=O)C2)C1=O 1753334781 HJPADYWSFCHCTG-NEPJUHHUSA-N 308.382 -0.913 30 20 DBED CCN(C(=O)C[C@@H](C)OC)[C@@H]1CCN(CC(=O)NCC#N)C1 1753453178 MMCNFKLUNVOTPL-CHWSQXEVSA-N 310.398 -0.026 30 20 DBED C=CCN1CCC(CCNC(=O)CN2C(=O)CNC2=O)CC1 1753600168 XHTBIDKAEDISNV-UHFFFAOYSA-N 308.382 -0.058 30 20 DBED C#CCCNC[C@@H](O)CNC(=O)c1cnn(-c2ccccn2)c1 1753929882 LWGHIHMDXYFQOP-CQSZACIVSA-N 313.361 -0.029 30 20 DBED C#CCNC(=O)[C@H](C)NCC[C@H](C)NC(=O)c1[nH]c(O)nc1C 1753973608 UPJJZXIGXPLGFS-ONGXEEELSA-N 321.381 -0.340 30 20 DBED C=C(C)CNC1(CNC(=O)C2CS(=O)(=O)C2)CCOCC1 1754736142 CTMWJWHQXURODJ-UHFFFAOYSA-N 316.423 -0.138 30 20 DBED CC#CCN1CC(O)(CNC(=O)C[C@H]2CCOC[C@H]2OC)C1 1754768347 JVZIIJWXTBCTGN-ZIAGYGMSSA-N 310.394 -0.386 30 20 DBED N#CCSCC(=O)NC[C@@H]1COCCN1Cc1cnon1 1754963279 CYIWIOXEQYVCCE-LLVKDONJSA-N 311.367 -0.357 30 20 DBED C#CCCN[C@@]1(CO)CCCN(C(=O)[C@H](C)S(C)(=O)=O)C1 1755086514 SYEVVNUUESUSIT-JSGCOSHPSA-N 316.423 -0.614 30 20 DBED C#CCN[C@@]1(CO)CCCN(C(=O)CS(=O)(=O)CCC)C1 1755092037 TUBOLFYHQXILIV-AWEZNQCLSA-N 316.423 -0.613 30 20 DBED C#CCN1CC(CCO)(NC(=O)[C@]23C[C@H]4C[C@H](C(=O)N2)[C@H]3C4)C1 1755334211 WTIYTZDREBNBJE-APNQJHFZSA-N 317.389 -0.913 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@H]2CC[C@H]1CN2CCn1cncn1 1755395411 MTSPCHJLXFPGMS-KFWWJZLASA-N 317.393 -0.008 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H](CO)NCC(=O)N(C)C 1755641865 KLBKQSCVERLTBM-DYEKYZERSA-N 313.398 -0.878 30 20 DBED C=CC(C)(C)CC(=O)NC[C@H](O)CN(C)C(=O)Cc1nc[nH]n1 1756680455 YJOVDBZZLLQAEW-NSHDSACASA-N 323.397 -0.115 30 20 DBED C=CCOCC(=O)N1CCC(C2(NC(=O)CC(N)=O)CC2)CC1 1756752839 OWOSNMSQFKUBMU-UHFFFAOYSA-N 323.393 -0.048 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(C(=O)Cc2ccc[nH]2)C[C@H]1O 1756997384 QACWVGSMHDYKMB-IACUBPJLSA-N 319.361 -0.717 30 20 DBED C#CCNC(=O)CNS(=O)(=O)c1ccc(CC)c(C(=O)O)c1 1776135034 ISRWHQXUYYXYQB-UHFFFAOYSA-N 324.358 -0.025 30 20 DBED CO[C@@H]1C[C@@H](C(=O)O)CN(S(=O)(=O)N(C)C[C@H](C)C#N)C1 1777158839 GYQVSNDLJQVWFH-GMTAPVOTSA-N 319.383 -0.256 30 20 DBED N#Cc1ccc(N2CCN(CC(=O)N3CCOCC3)CC2)nc1 58482232 DIZMQSJJPLUACH-UHFFFAOYSA-N 315.377 -0.066 30 20 DBED N#Cc1ccccc1S(=O)(=O)N1CCN2C(=O)NC[C@@H]2C1 91756209 YESAIEUZAHQXAV-LLVKDONJSA-N 306.347 -0.044 30 20 DBED CNS(=O)(=O)c1ccc2c(c1)N(CC(=O)NCC#N)CC2 127194542 NSHVJAMPUOBTKE-UHFFFAOYSA-N 308.363 -0.403 30 20 DBED C=CC[C@@H](NC(=O)NCC(C)(C)NS(C)(=O)=O)C(=O)O 159885392 IQVOPMBBJBYECD-MRVPVSSYSA-N 307.372 -0.357 30 20 DBED CC(C)[C@@H](C#N)N1CCN(C(=O)CSc2nnnn2C)CC1 179936118 BYSZRLQEKMILBD-LLVKDONJSA-N 323.426 -0.005 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N1CC[C@H](C)S(=O)(=O)CC1 277213726 WYUJDMWHROJGHW-WDEREUQCSA-N 317.411 -0.104 30 20 DBED CS(=O)(=O)NCCCNS(=O)(=O)c1cncc(C#N)c1 289743782 JVQTUBBQEUJDOM-UHFFFAOYSA-N 318.380 -0.829 30 20 DBED C=C[C@H](CO)NS(=O)(=O)c1ccc(S(C)(=O)=O)nc1 290307829 XZKJFVRONNIMRG-MRVPVSSYSA-N 306.365 -0.690 30 20 DBED C/N=C(/O)NC1CN(/C(O)=N/Cc2nnc3n2CCCC3)C1 328724799 YRZMGSFLRPLVPV-UHFFFAOYSA-N 307.358 -0.154 30 20 DBED O/C(=N/C[C@H](O)CN1CCOCC1)c1cnn2ncccc12 329604830 HBLHVKRKPUQMFE-NSHDSACASA-N 305.338 -0.273 30 20 DBED CN1CN(C(O)=Nc2cnn(CCN3CCOCC3)c2)CC1=O 329826816 IPDRFXNDPZXGNL-UHFFFAOYSA-N 322.369 -0.508 30 20 DBED C[C@H](CNS(=O)(=O)N1CCO[C@H](C#N)C1)N(C)C1CC1 337089966 IZUULCKWDRQZRO-ZYHUDNBSSA-N 302.400 -0.472 30 20 DBED COC(=O)[C@@H]1CN(S(=O)(=O)N(C)C[C@H](C)C#N)C[C@@H](C)O1 337984162 DTTRILPHVMHKPE-MXWKQRLJSA-N 319.383 -0.415 30 20 DBED C[C@@H]1CCC[C@]1(O)CNS(=O)(=O)N1CCO[C@H](C#N)C1 339094649 BZGMWEBCHPBYBU-UTUOFQBUSA-N 303.384 -0.404 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)NCCCN(C)CCN(C)C 341639981 GJFGCYPCYHKINT-ZDUSSCGKSA-N 319.475 -0.062 30 20 DBED Cc1ccn2c(=O)c(C(=O)NCCn3cnc(C#N)n3)cnc2c1 342874492 SLJSCERPDYATAB-UHFFFAOYSA-N 323.316 -0.104 30 20 DBED C=CCNC(=O)CNC(=O)N[C@@H]1CCO[C@@H]1c1nccn1C 345590770 KLWHHHHDQQFIDL-PWSUYJOCSA-N 307.354 -0.149 30 20 DBED C=CCNC(=O)CNC(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O 345652788 CIJPCWIVYTYQTP-PHIMTYICSA-N 305.334 -0.644 30 20 DBED C=C(C)COCCNC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 354041321 HYXVBFBSFYDISK-OXHZDVMGSA-N 322.361 -0.142 30 20 DBED CO[C@@H]1CCN(C(=O)C(=O)Nc2nn(C(C)C)cc2C#N)C1 359239839 GJHXGQIPKUQLCF-LLVKDONJSA-N 305.338 0.521 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H]1CCCS(=O)(=O)C1 407954196 FQTAJLVNYOSQAO-GHMZBOCLSA-N 323.440 -0.120 30 20 DBED C[C@H]1CN(S(=O)(=O)N(C)CCC#N)CCN1CC(C)(C)O 408439633 SYILBTMVNAEWNU-LBPRGKRZSA-N 318.443 -0.146 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CCC([C@@H](C)N)CC2)nn1 424547495 OMRCWCXAKRBVAN-LLVKDONJSA-N 320.397 -0.334 30 20 DBED C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1C[C@@H]2CC[C@H](O)[C@H]2C1 425902573 VZBOCHNMPWYTAX-PEDHHIEDSA-N 308.378 -0.077 30 20 DBED C#CCN1CCN(C(=O)Cn2nnc(-c3ccco3)n2)CC1 491044904 JHZWZWLBOJWVSJ-UHFFFAOYSA-N 300.322 -0.290 30 20 DBED C#CCN(C)C(=O)Cc1c(C)nn(-c2cncc3nnnn23)c1C 491680983 KZDLPZMSZPYZMS-UHFFFAOYSA-N 324.348 -0.044 30 20 DBED CCC[C@H](C#N)NC(=O)Cn1ccc2c(=O)n(C)c(=O)n(C)c21 524718898 UFLOPMHOAUQLIB-SNVBAGLBSA-N 317.349 -0.153 30 20 DBED CNS(=O)(=O)[C@@H]1CCN(C(=O)Cc2noc(C)c2C#N)C1 542784813 QDXMDHWFWZALGO-SECBINFHSA-N 312.351 -0.453 30 20 DBED C[C@](CNS(=O)(=O)c1ccc(C#N)o1)(CC(=O)O)C(=O)O 548768177 SYUDZJYWIZNYMA-LLVKDONJSA-N 316.291 -0.005 30 20 DBED C[C@@H]1CN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)C[C@@H]1O 589471965 OCGXLBNRBPPOBS-MFKMUULPSA-N 323.374 -0.324 30 20 DBED CC#CC[C@H](CO)NC(=O)Nc1ncn(CC(=O)OCC)n1 592265246 VCWXTAFEKIZURF-SNVBAGLBSA-N 309.326 -0.263 30 20 DBED CC1(C(=O)O)CCN(C(=O)C(=O)N2CCO[C@@H](C#N)C2)CC1 592427785 BNGWBIOSMILTDU-JTQLQIEISA-N 309.322 -0.549 30 20 DBED CCN(CCC#N)S(=O)(=O)NCC[C@@]1(O)CCCOC1 593660553 JPXYDUYOHNOYLO-LBPRGKRZSA-N 305.400 -0.012 30 20 DBED CC(C)(C)[C@@H](C#N)NC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1 597351372 QGNKZESWXKHZQL-NXEZZACHSA-N 302.400 -0.044 30 20 DBED CCOC(=O)CNC(=O)[C@@H]1COCCN1C(=O)[C@H](C#N)CC 597631991 OUURODSKKWJGFB-QWRGUYRKSA-N 311.338 -0.557 30 20 DBED C[C@H](C(=O)N(CCC#N)CCN1CCOCC1)[C@H]1CCC(=O)N1 599230255 OEJPHAPOCHVOMA-UONOGXRCSA-N 322.409 -0.024 30 20 DBED COC(=O)C[C@@H](O)CNC(=O)C(=O)Nc1ccc(F)cc1C#N 600061569 XCJWJNRNBMSAKF-SNVBAGLBSA-N 323.280 -0.324 30 20 DBED C[C@H](N)[C@@H]1CCCN(C(=O)C(=O)N2CCN(CCC#N)CC2)C1 601580787 DHYFQXOZVCJBOI-UONOGXRCSA-N 321.425 -0.370 30 20 DBED C[C@@H]1COCCN1CCNc1c(C#N)c(=O)n(C)c(=O)n1C 609150173 SFAHBGBBTHOHDE-SNVBAGLBSA-N 307.354 -0.912 30 20 DBED COCCN1CC[C@@H](NC(=O)NC2CCN(CC#N)CC2)C1 609920046 WEEBQISWEQASMV-CQSZACIVSA-N 309.414 -0.006 30 20 DBED COC(=O)[C@@H](COC(C)C)N(C)S(=O)(=O)N(C)CCC#N 610803388 TWEHIWACRHCCKG-LLVKDONJSA-N 321.399 -0.025 30 20 DBED N#Cc1nc(NC(=O)[C@@H]2C[C@H]3CC[C@H]2O3)[nH]c1-c1nn[nH]n1 737704630 IGDUNTHBRKKMEG-ATRFCDNQSA-N 300.282 -0.033 30 20 DBED CN(C)S(=O)(=O)c1ccc(C(=O)n2ncc(C#N)c2N)o1 746888809 IRRLPCWYQSTUJK-UHFFFAOYSA-N 309.307 -0.131 30 20 DBED C#CCOCCOC(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 762730004 INQLXYNKBMLSET-IMIFBBOLSA-N 303.314 -0.014 30 20 DBED CCOC(=O)CON=C(C(=O)NN1CCCC1=O)c1cc[nH]n1 772539029 VVKKWWXYZJLZDN-UHFFFAOYSA-N 323.309 -0.653 30 20 DBED C#C[C@H](NC(=O)NCCNC(=O)c1cc[nH]n1)[C@@H]1CCCO1 773438195 WLZQARZODPKDBK-JQWIXIFHSA-N 305.338 -0.381 30 20 DBED C#CCOCCNC(=O)NCCCN1CCC[C@H](C(N)=O)C1 784289269 OAJHJEZGMWCWRR-ZDUSSCGKSA-N 310.398 -0.477 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CCCO[C@@H]2C)CC1 790582674 RPXWZGYXXFFWPH-KGLIPLIRSA-N 307.394 -0.305 30 20 DBED CCN(CCC#N)S(=O)(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 800034771 YODQTMTWVJDPBG-CHWSQXEVSA-N 316.427 -0.080 30 20 DBED C#CCCS(=O)(=O)NC(=O)Cn1c(=O)n(C)c2ccccc21 810783781 DZGLXAILIGZMBA-UHFFFAOYSA-N 321.358 -0.191 30 20 DBED C=CCC1(S(=O)(=O)NC(=O)CN2CCOCC2=O)CC1 810988429 IVKIMARIYLWCFB-UHFFFAOYSA-N 302.352 -0.600 30 20 DBED C#CCN1CCN(S(=O)(=O)c2ccc3c(c2)nnn3C)CC1 827395300 LGSKDHKRJNEEAO-UHFFFAOYSA-N 319.390 -0.092 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](CC)SC)CC1 831565623 WSMXCWUPEPBMLQ-LLVKDONJSA-N 319.452 -0.260 30 20 DBED C#CCNC(=O)[C@H](C)N1[C@H]2CC[C@H]1[C@H](C(=O)OC)[C@@H]2C(=O)O 833365935 XYBJJAOERZALSR-NGDQXYMTSA-N 308.334 -0.539 30 20 DBED C#CC[C@H](NC(=O)[C@@H]1COCCN1CC(F)(F)F)C(=O)OC 837945974 CNAFXRHURUOCBS-UWVGGRQHSA-N 322.283 -0.069 30 20 DBED C#CCNS(=O)(=O)N1CCN(C[C@H]2CCO[C@@H]2C)CC1 878314215 LUENLGSKSYSOJT-CHWSQXEVSA-N 301.412 -0.503 30 20 DBED C#CCN1CCN(C(=O)Cn2nnc(C(F)(F)F)n2)CC1 902643834 VOFMDLDBYWZFKB-UHFFFAOYSA-N 302.260 -0.531 30 20 DBED CN1CC[C@@H]2CN(S(=O)(=O)N3CCO[C@@H](C#N)C3)C[C@@H]2C1 916662234 QAYNUBCSKANQRF-AGIUHOORSA-N 314.411 -0.661 30 20 DBED Cc1nn[nH]c1C(=O)N1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 940095383 RZKRMRFFUMWJPS-SNVBAGLBSA-N 313.321 -0.043 30 20 DBED C#CCN1CC[C@H](NC(=O)c2nc(O)nc(O)c2OC)[C@@H](C)C1 944135265 JMVCBMDOBJVQLC-UWVGGRQHSA-N 320.349 -0.030 30 20 DBED Cc1cc(C(=O)NC[C@@H]2CN(C(=O)[C@@H](C)C#N)CCO2)n[nH]1 944504220 RGGRQBJXXMTSDK-GXSJLCMTSA-N 305.338 -0.165 30 20 DBED C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)CC[C@H]1NC(=O)C(N)=O 945250295 CSXGZMLTRJSVQA-PSASIEDQSA-N 303.322 -0.662 30 20 DBED CO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)c1cnon1 946099740 GYCLMNWFUXYUOB-VXGBXAGGSA-N 304.306 -0.561 30 20 DBED C#Cc1ccc(C(=O)N2C[C@H]3C[C@H]2[C@H]3NC(=O)c2nc[nH]n2)nc1 947756012 OTOKYIJNKHRNSF-WXHSDQCUSA-N 322.328 -0.176 30 20 DBED Cn1cc(C(=O)N[C@@H]2[C@H]3C[C@H]2N(C(=O)C#CC2CC2)C3)nc1O 947966055 RPYUNSWTZWXUMZ-ZKYQVNSYSA-N 314.345 -0.132 30 20 DBED C#CCCN1CCN(C(=O)[C@@H](Cn2cccn2)N(C)C)CC1 948749835 BMVWIAYXOXZDPN-OAHLLOKOSA-N 303.410 -0.019 30 20 DBED N#Cc1cc(C(=O)NC[C@H]2CCN2C(=O)[C@H]2C[C@H]2C(N)=O)c[nH]1 949497179 FXSHVKCOZPATES-UTUOFQBUSA-N 315.333 -0.662 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2CCN2C(=O)[C@@H](C)OC)nn1 950052084 BMYXCFIJSRNSDA-GHMZBOCLSA-N 307.354 -0.170 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H](NC(=O)C(N)=O)C1 950971530 GMOSFFLILZHWTQ-SRVKXCTJSA-N 309.366 -0.440 30 20 DBED C[C@@H](C#N)C(=O)N1CC(N(C)C(=O)c2nc3ncccn3n2)C1 955087834 YPJLZCKRELAWPX-VIFPVBQESA-N 313.321 -0.433 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N(C)C(=O)Cc2nc[nH]n2)C1 955389454 YEFBJMCBTVBUPW-NEPJUHHUSA-N 319.365 -0.393 30 20 DBED C=C(C)CN1C[C@H](CNC(=O)c2cc(=O)n(C)cn2)[C@@H](O)C1 958149734 WCFBYUGTXAJMCW-AAEUAGOBSA-N 306.366 -0.621 30 20 DBED C=CCN1CC[C@@H](N2C[C@H]3[C@H](NC(=O)c4cc[nH]n4)[C@H]3C2)C1=O 958298120 PKTVJWAHXWPRHE-WVWOOGAGSA-N 315.377 -0.143 30 20 DBED C#Cc1cncc(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)C(F)F)C2)c1 958376944 RUFFZYFDVXHQCP-RYUDHWBXSA-N 323.299 -0.028 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CN(C(=O)c3ccc(O)nn3)C[C@H]2C1 959812366 ZICCDGWRVSLBGH-MXWKQRLJSA-N 315.333 -0.128 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H]2CN(C(=O)Cn3ccnc3)C[C@@H]21 960877739 HPXIIOSIXRNTNJ-RWMBFGLXSA-N 317.349 -0.519 30 20 DBED CCn1nncc1C(=O)NC[C@@H]1COCCN1C(=O)[C@H](C)C#N 964177896 IHGSGACLWZFMEP-GHMZBOCLSA-N 320.353 -0.585 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)c1cc(=O)n(C)o1 964179003 NCJIDAOEUIYSGM-VHSXEESVSA-N 322.321 -0.905 30 20 DBED C=CCNC1CC2(C1)CC(NC(=O)CN1CC(=O)NC1=O)C2 965467248 BKSSDZDVJPFODQ-UHFFFAOYSA-N 306.366 -0.259 30 20 DBED C[C@H](C#N)C(=O)N1CCOC2(C1)CN(C(=O)[C@H]1CCCO1)C2 965471005 ITGHKMPKFJGAJR-VXGBXAGGSA-N 307.350 -0.235 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)[C@@H]3CCCNC3=O)C2)C1 972420433 VJSREAKNDUZFTI-CZUORRHYSA-N 305.378 -0.551 30 20 DBED C=CCn1cc(C(=O)N2CC[C@]3(CN(CC#N)CCO3)C2)nn1 972585370 LPJAQQFBUZYNEZ-HNNXBMFYSA-N 316.365 -0.095 30 20 DBED C#CCN1C[C@@H]2C(CNC(=O)c3cccc(C(=O)NC)n3)[C@H]2C1 979008509 QSBPJVVOZLURFA-CHWSQXEVSA-N 312.373 -0.018 30 20 DBED CC(=O)N1CCO[C@H](C(=O)NCC2[C@@H]3CN(CC#N)C[C@@H]23)C1 979019786 ZIRBGQCFWLWOFF-IHRRRGAJSA-N 306.366 -0.949 30 20 DBED C#CCN1CCCC2(C1)CN(C(=O)[C@@H]1COCCN1C(C)=O)C2 982158162 HVVBAWCEGPCQMM-HNNXBMFYSA-N 319.405 -0.209 30 20 DBED CN(C(=O)[C@@H]1CNC(=O)N1)[C@H]1CCCN(C(=O)C#CC2CC2)C1 984183958 IIVDUUZRRJUQKJ-STQMWFEESA-N 318.377 -0.469 30 20 DBED C=C(C)CN[C@H]1C[C@@H](C)N(C(=O)Cn2cnc(C(N)=O)n2)C1 988850862 APIXBQWCWMWEBH-MNOVXSKESA-N 306.370 -0.468 30 20 DBED C[C@H](C#N)C(=O)N1CC(NC(=O)[C@H]2CCc3nnc(O)n3C2)C1 994579679 KXHBIQXOBNUPFK-BDAKNGLRSA-N 318.337 -0.967 30 20 DBED C=CCN[C@H]1CN(C(=O)CN2CC(=O)N(C)C2=O)CC1(C)C 996510318 DGJOPHCOJMLWKD-NSHDSACASA-N 308.382 -0.107 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)c3cn(C)nn3)C2)nc1 997087694 LABYRADPHBIPJC-UHFFFAOYSA-N 310.317 -0.554 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)[C@@]2(C)CCNC2=O)C1 999803664 JFIADNPFGMJBPM-WQGACYEGSA-N 321.377 -0.569 30 20 DBED N#CCN1CCC(CNC(=O)[C@@H]2Cc3cncn3C(=O)N2)CC1 1001675174 WVHRUHQFQLRHMV-ZDUSSCGKSA-N 316.365 -0.283 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnon3)C2)C1 1007706663 POZHTDCEYLPEAU-HZMBPMFUSA-N 319.321 -0.327 30 20 DBED CC#CCN1CCC[C@@H](NC(=O)[C@H]2COCCN2C(C)=O)C1 1009567736 FHGGXCOFGNNWIW-HUUCEWRRSA-N 307.394 -0.162 30 20 DBED C#CCN1CC[C@H](NC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1 1015696422 AAXFIJTYPBBXMH-SOUVJXGZSA-N 319.405 -0.020 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CCN(Cc3nc(O)n[nH]3)C2)nc1 1016020688 UEMWODNFLSXYPA-LLVKDONJSA-N 312.333 -0.109 30 20 DBED C=C(Cl)CN1CC[C@H](NC(=O)Cn2c(O)nnc2O)C1 1016111513 RJTQDMAXZQFFRR-QMMMGPOBSA-N 301.734 -0.368 30 20 DBED CC#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CN(C(C)=O)CCO1 1018226367 HWYZXRWMKRTQMG-OWCLPIDISA-N 319.405 -0.068 30 20 DBED C[C@H](C#N)C(=O)N1CCCO[C@H](CNC(=O)c2ccnn2C)C1 1019547384 ZMSVZKWDURFCBY-VXGBXAGGSA-N 319.365 -0.073 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)c2cc(=O)n(C)cn2)[C@@H]1C 1020536858 FDXITXUCAQPJFI-DCAQKATOSA-N 317.349 -0.341 30 20 DBED C[C@H]1CN(C(=O)C(N)=O)CC[C@@H]1CNC(=O)c1cc(C#N)c[nH]1 1020798635 JXPNNNSPXVKCMY-GXSJLCMTSA-N 317.349 -0.414 30 20 DBED N#Cc1cc(C(=O)N2C[C@@H]3CCN(C(=O)C(N)=O)[C@@H]3C2)c[nH]1 1022548181 FNKHVDSEUQSXSD-GZMMTYOYSA-N 301.306 -0.955 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)CN2CCCC2=O)C1 1023018298 LTZRIOSUNDOORD-VXGBXAGGSA-N 323.393 -0.491 30 20 DBED C#CCN1CCC(C(=O)NCC2CN([C@@H](C)C(=O)NC)C2)CC1 1032207524 VPQLWUMMPOHHMA-ZDUSSCGKSA-N 320.437 -0.486 30 20 DBED C#CCN1CCC(C(=O)N(C)[C@@H]2CCN(CC(=O)NC)C2)CC1 1033684122 DDMYTPCWNTZGGU-OAHLLOKOSA-N 320.437 -0.390 30 20 DBED CN(C)C(=O)Cn1cc(C(=O)N(C)[C@@H]2CCN(CC#N)C2)nn1 1033690617 ZRANIEJYZZSUAR-LLVKDONJSA-N 319.369 -0.964 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)C1 1035520100 LUJWOXYALAZCHF-SOUVJXGZSA-N 302.378 -0.026 30 20 DBED C[C@H]1[C@@H](N=c2cc[nH]c(C#N)n2)CCN1C(=O)Cn1nccn1 1040188169 UQGHICUXGJDQCK-QWRGUYRKSA-N 312.337 -0.537 30 20 DBED CCCN(C)CCC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H](C)C#N)C1 1040447305 QBPRWUXKXUQWKM-BBRMVZONSA-N 324.425 -0.042 30 20 DBED O=C(NC[C@@]1(O)CCN(C(=O)C#CC2CC2)C1)c1cccnn1 1040682637 SATWUAKQTHDJNC-INIZCTEOSA-N 314.345 -0.417 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)C(=O)C(C)(C)C)C1 1042158978 KGXTVXLAWCNWNZ-UHFFFAOYSA-N 324.377 -0.669 30 20 DBED C=CCn1cc(C(=O)N2CC(O)(CNC(=O)/C(C)=C/C)C2)nn1 1042445410 HTXVWYMMBKOXEY-VZUCSPMQSA-N 319.365 -0.267 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)[C@H]2CCN(C)C2)C1 1042940650 DMOHYGGBGGYQNU-ZDUSSCGKSA-N 307.394 -0.713 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)c2c(C)nnn2CC)C1 1043362647 LVLDVGYRBHOAFM-UHFFFAOYSA-N 321.381 -0.124 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)COCCC=C)C1 1043567776 GNZODQRZFNCMKI-ZDUSSCGKSA-N 324.377 -0.693 30 20 DBED COCC1(C(=O)NCC2(O)CN(C(=O)[C@H](C)C#N)C2)CCC1 1043920301 KBSOYSPNFGEFSR-LLVKDONJSA-N 309.366 -0.348 30 20 DBED C=C(C)CCC(=O)N1CC(O)(CNC(=O)[C@@H](C)CC(N)=O)C1 1044419780 ZZGXPPPMWMTUQP-NSHDSACASA-N 311.382 -0.456 30 20 DBED C=C[C@H](CC)CC(=O)NCC1(O)CN(C(=O)c2nnn(C)n2)C1 1045072871 USMQJRBEFGFWAE-SNVBAGLBSA-N 322.369 -0.885 30 20 DBED C=CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)c2conc2C)C1 1045535343 GGBQBMMARBYYFQ-LLVKDONJSA-N 323.349 -0.123 30 20 DBED Cc1nn(C)c(F)c1C(=O)N1CC(O)(CNC(=O)[C@@H](C)C#N)C1 1045547376 ZFTGLDXIALGQAH-QMMMGPOBSA-N 323.328 -0.670 30 20 DBED N#CCN1CC[C@H](N2CCN(C(=O)C34CCN(CC3)C4)CC2)C1 1046075624 CLJIXDOBJZPDTF-HNNXBMFYSA-N 317.437 -0.176 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCN(C(N)=O)C2)C1 1047450017 NQFJCKZIFKMDDU-RDBSUJKOSA-N 322.409 -0.696 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cc3n(n2)CCCO3)C1 1047452974 KQMCIRMZXOAGHY-STQMWFEESA-N 306.366 -0.031 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)Cn2nnc3c2CCCC3)C1 1047528756 ABQNOUBVEFKUPV-GJZGRUSLSA-N 317.393 -0.706 30 20 DBED C=CCOCC(=O)N(C)[C@H]1CN(C(=O)CSC)C[C@@H]1O 1048551529 KGHFERPHNVIYQV-QWRGUYRKSA-N 302.396 -0.418 30 20 DBED N#Cc1ccc(C(=O)N2C[C@@H]3CN([C@H]4CCNC4=O)C[C@@H]3C2)[nH]1 1048771512 NSCKFZSOZLRQFS-WDMOLILDSA-N 313.361 -0.221 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)[C@H]1CN(C(=O)c2ccon2)C[C@@H]1O 1048852814 SICMJBCHFFMWCX-DRZSPHRISA-N 321.333 -0.643 30 20 DBED C#CCCN1C[C@@H]2CCCN(C(=O)C3CS(=O)(=O)C3)[C@@H]2C1 1050054963 VWTROCHQMCXGPM-GXTWGEPZSA-N 310.419 -0.023 30 20 DBED C#CCCN1CCOC[C@@H]1CNC(=O)[C@@H]1CCCN1CC#C 1050962293 IJYLQTYJFRNMSB-HOTGVXAUSA-N 303.406 -0.076 30 20 DBED N#CCN1CCOC[C@@H]1CNC(=O)[C@H]1CCc2nccn2C1 1050988552 GTGDJRMMZVNBGX-STQMWFEESA-N 303.366 -0.214 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)c1cc(C)c(C(N)=O)cn1 1051120394 KFJYUSRVUXDLKU-GFCCVEGCSA-N 316.361 -0.447 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)[C@@H]1CCN(C(=O)CC)C1 1051198412 SSCITHIGQJVXCH-KGLIPLIRSA-N 307.394 -0.305 30 20 DBED C#CCCN1CCOC[C@@H]1CNC(=O)[C@H]1CCC(=O)N(C)C1 1051256884 BVFGSWHJDIBFJE-KBPBESRZSA-N 307.394 -0.305 30 20 DBED C=CCOCC(=O)N[C@@H](C)[C@@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 1051454722 VUOIBCUMYGBAHW-NWDGAFQWSA-N 323.393 -0.192 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)CNC(C)=O)C[C@H]1C 1051824156 GFFROGOARJTNDI-DGCLKSJQSA-N 311.382 -0.464 30 20 DBED C#CCCN1CCN([C@H]2CCN(C(=O)Cn3nccn3)C2)CC1 1052033882 WTPHDYSXQQMCJA-HNNXBMFYSA-N 316.409 -0.480 30 20 DBED C#CCCN1CCC[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)CC1 1052946513 VBLIQVXBLRMIKF-OLZOCXBDSA-N 313.423 -0.328 30 20 DBED C=CCN1CC2(CC[C@@H](CNC(=O)C3CC(=O)NC(=O)C3)O2)C1 1053678660 IUBNMTVCVSSHMZ-LBPRGKRZSA-N 321.377 -0.425 30 20 DBED COc1ccc(C#N)cc1CN[C@H]1CN(C(=O)C(N)=O)C[C@@H]1C 1055020862 UXNWFCSPYOAJLQ-GWCFXTLKSA-N 316.361 -0.011 30 20 DBED C=CCOCC(=O)N1C[C@@H]2CN(C(=O)CCCC(N)=O)C[C@@H]2C1 1055250983 RRADIRMXYNUWRU-BETUJISGSA-N 323.393 -0.239 30 20 DBED C=CCCC(=O)N[C@]1(CO)CCCN(C(=O)[C@@H]2CCC(=O)N2)C1 1055824400 STXXFHZNSSVHLD-BLLLJJGKSA-N 323.393 -0.299 30 20 DBED CN1CC[C@H](C(=O)N[C@H]2[C@@H]3CN(c4nccnc4C#N)C[C@@H]32)C1 1056228633 UBYRMNMTZWIOQU-CIQGVGRVSA-N 312.377 -0.149 30 20 DBED N#Cc1nc(=N[C@@H]2CCN(C(=O)[C@@H]3CCC(=O)N3)C2)cc[nH]1 1056674539 RUYZPDSMUWRUHR-ZJUUUORDSA-N 300.322 -0.938 30 20 DBED CNC(=O)CC(=O)N1C[C@@H]2CCCN(C(=O)[C@@H](C)C#N)[C@@H]2C1 1056713946 VYINUHLUXLLWSV-SDDRHHMPSA-N 306.366 -0.268 30 20 DBED C=CC(C)(C)C(=O)NCCN(CCO)C(=O)[C@H](C)NC(C)=O 1056886564 XSQVTCFQUVFRTK-NSHDSACASA-N 313.398 -0.340 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)c1cnn(C)c1C 1056975258 YGLQYAHGNKHRTP-UHFFFAOYSA-N 324.381 -0.518 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)c1cc(C)no1 1057193342 FDZIGZJJVJBIAG-UHFFFAOYSA-N 311.338 -0.264 30 20 DBED CCc1nc[nH]c1C(=O)NCCN(CCO)C(=O)C#CC1CC1 1057533589 SDJUDPKRKHLYED-UHFFFAOYSA-N 318.377 -0.064 30 20 DBED C#CCO[C@H](C)C(=O)N(CCO)CCNC(=O)C1CC=CC1 1057583746 YUTDSWVJYNBFGX-CYBMUJFWSA-N 308.378 -0.072 30 20 DBED CC1CCN(CC(=O)NCCN(CCO)C(=O)[C@@H](C)C#N)CC1 1058654620 BYXNOLROFXVYAN-AWEZNQCLSA-N 324.425 -0.185 30 20 DBED C=CCOCC(=O)N1CC[C@@H](CCNC(=O)[C@H]2C[C@H]2C(N)=O)C1 1059337777 PJNDZTWHAVAMPT-UPJWGTAASA-N 323.393 -0.335 30 20 DBED CC(=O)NCC(=O)NC[C@@H]1COCCN1C(=O)C#CC(C)(C)C 1061216126 FNJWDYPJWSZWTQ-CYBMUJFWSA-N 323.393 -0.484 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@H]1COCCN1C(=O)c1cnon1 1061542603 LLQAAZQFKUYICS-HZMBPMFUSA-N 324.337 -0.646 30 20 DBED O=C(C#CC1CC1)NC[C@H]1COCCN1C(=O)[C@@H]1CCOC1 1061569842 MZQFGCYNHLFFNP-KGLIPLIRSA-N 306.362 -0.220 30 20 DBED C#CCNC(=O)CC(=O)NCC1(NC(=O)C#CC2CC2)CCC1 1062829343 JPAWEMBFTKGBOB-UHFFFAOYSA-N 315.373 -0.306 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)CCn2cncn2)CCC1 1064301935 AWHKDLZWOWUWQL-LLVKDONJSA-N 304.354 -0.017 30 20 DBED C[C@H](C#N)C(=O)N1CC2(C1)CN(C(=O)[C@H](C)CC(N)=O)CCO2 1068423764 UYKZGYPSRRQSFN-GHMZBOCLSA-N 322.365 -0.903 30 20 DBED N#Cc1ccc(NC[C@H]2C[C@H](NC(=O)[C@H]3CCNC3=O)C2)nn1 1068562068 XDHPSYVOXWNNER-DLOVCJGASA-N 314.349 -0.209 30 20 DBED Cc1cc(C#N)nc(N[C@H]2C[C@H](C)N(C(=O)CC(N)=O)C2)n1 1069049082 JKYTYOGTXRCHNA-ONGXEEELSA-N 302.338 -0.067 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)Cn2cccn2)CCOCC1 1069985664 ZYMAXAAMYNMKFW-LBPRGKRZSA-N 319.365 -0.176 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC[C@@H](NC(=O)C(N)=O)C1 1070725350 FEYRXWRSBARWIF-NEPJUHHUSA-N 324.381 -0.950 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)c2cccn3c(O)nnc23)C1 1077995855 UVASUZSOAHTZJD-GHMZBOCLSA-N 303.322 -0.604 30 20 DBED C[C@@H](CCNC(=O)COCc1ncnn1C)NC(=O)[C@@H](C)C#N 1078159881 YIFKBVKCESWUFB-QWRGUYRKSA-N 322.369 -0.498 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)c2cccnc2N(C)C)C1 1078173300 RCGRKPMJBNJSQC-ZIAGYGMSSA-N 302.378 -0.054 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@H](CNC(=O)CCCF)C1 1081659897 DFVKWOZKDVMTKR-VXGBXAGGSA-N 302.346 -0.126 30 20 DBED CC#CCCCC(=O)NC[C@@H]1CN(C(=O)CNC(C)=O)C[C@H]1O 1081669487 UDNDFIFDTLCCAN-ZIAGYGMSSA-N 323.393 -0.748 30 20 DBED C=CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CC[C@@H](C(N)=O)O1 1083191705 MTGMFHQXGWRWKZ-WUHRBBMRSA-N 309.366 -0.883 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 1083664678 WQZOANYMTRHPFV-XQQFMLRXSA-N 319.365 -0.897 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)C[C@@H]2CCCCN2C(C)=O)C1 1083855444 MJUGWGFAOQWVBC-XHSDSOJGSA-N 321.421 -0.038 30 20 DBED C=CCN1CC[C@@H]2CN(C(=O)C[C@@H]3NC(=O)NC3=O)C[C@@H]2C1 1087997593 OLEKBYPPOBFFOT-WOPDTQHZSA-N 306.366 -0.449 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2ccc3nncn3c2)[C@@H](O)C1 1090645198 BEEWGSWTOCULEW-KGLIPLIRSA-N 313.361 -0.082 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2cnn(C)c2OC)[C@@H](O)C1 1090760189 NRZCEQNBUKEXQU-STQMWFEESA-N 306.366 -0.383 30 20 DBED COCCOCC(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@@H]1O 1091079072 ILMLYFVHUMTCJG-OLZOCXBDSA-N 320.349 -0.718 30 20 DBED COCC[C@@H](C)C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1091109541 ZZCWZCSKHFVJLZ-RTXFEEFZSA-N 319.365 -0.313 30 20 DBED CO[C@H]1C[C@H](C(=O)NC[C@@H]2CN(CC#N)C[C@H]2C)N(C(C)=O)C1 1092857398 BRWYFSLCUKPFJE-REBRKWNGSA-N 322.409 -0.170 30 20 DBED Cc1cc(C#N)nc(NCCNC(=O)CCn2cncn2)n1 1093523721 JKPUFHMCHCCZMF-UHFFFAOYSA-N 300.326 -0.133 30 20 DBED C[C@@]1(C(=O)NCCNc2nccnc2C#N)CCCS1(=O)=O 1093721447 PNBMDOHBZKUZOZ-ZDUSSCGKSA-N 323.378 -0.156 30 20 DBED COc1cncc(C(=O)NCCCN=c2cc[nH]c(C#N)n2)n1 1094586119 JYMXASXWOHKKAT-UHFFFAOYSA-N 313.321 -0.199 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)c3cnn(C)n3)CC2=O)C1 1094795044 GATRLQJQVGGQPC-JTQLQIEISA-N 304.354 -0.984 30 20 DBED CN(CCCNC(=O)CCNC(N)=O)c1ccnc(C#N)n1 1095556787 LVSJFAXTBBPVDK-UHFFFAOYSA-N 305.342 -0.651 30 20 DBED CC(=O)N(C)CC(=O)N[C@@H]1CCCN(c2ccc(C#N)nn2)C1 1096169404 YBRXBVZXRCULQG-CYBMUJFWSA-N 316.365 -0.088 30 20 DBED CNC(=O)NCC(=O)N[C@H]1CCN(c2ncccc2C#N)C1 1096492775 BXIBBZUMPRJTGF-NSHDSACASA-N 302.338 -0.423 30 20 DBED N#Cc1cnc(N[C@H]2C[C@H](NC(=O)CCn3cnnn3)C2)cn1 1097055309 DGWMXMVFRLQXGF-MGCOHNPYSA-N 313.325 -0.516 30 20 DBED N#Cc1nccc(N2CCCC[C@H]2CNC(=O)CC(N)=O)n1 1097401564 NPVKEWRHQCDCGW-JTQLQIEISA-N 302.338 -0.301 30 20 DBED C[C@@H](CNC(=O)Cn1cnnc1O)Nc1cnc(C#N)cn1 1097787198 CKSBCQODXFXAAL-QMMMGPOBSA-N 302.298 -0.738 30 20 DBED CCN1CCO[C@H](C(=O)NC[C@@H](C)Nc2ccc(C#N)nn2)C1 1097874230 DXSVOPXPALXGOT-YPMHNXCESA-N 318.381 -0.014 30 20 DBED C[C@H](CNC(=O)C1CC(=O)NC(=O)C1)N=c1cc[nH]cc1C#N 1097936940 OLRWVBDNRQDYNT-SECBINFHSA-N 315.333 -0.655 30 20 DBED C[C@H](CNC(=O)CN1CC(=O)NC1=O)Nc1ccc(C#N)cn1 1098008429 OZPOFPWERCACGU-SECBINFHSA-N 316.321 -0.578 30 20 DBED C[C@H](CNC(=O)[C@@H]1CCC(=O)N1C)Nc1nccnc1C#N 1098200531 YWAOFDKTLPOQTN-KOLCDFICSA-N 302.338 -0.114 30 20 DBED C=C(C)CN(CCO)C1CCN(C(=O)c2nnn(C)n2)CC1 1098454392 DUCRFHCFXYPGDW-UHFFFAOYSA-N 308.386 -0.315 30 20 DBED C=CCC[C@@H](C)NCc1cn([C@@H]2CCN(C(=O)C(N)=O)C2)nn1 1098710614 HSKVRPAHJZXVIJ-DGCLKSJQSA-N 320.397 -0.019 30 20 DBED C[C@H](CCNC(=O)c1nccnc1N)N=c1cc[nH]c(C#N)n1 1098915410 GZNDRLRBTQLNEQ-SECBINFHSA-N 312.337 -0.237 30 20 DBED C[C@H](CCNC(=O)[C@H]1CN(C)CCO1)Nc1cnc(C#N)cn1 1098999261 VWZIFNGLXRORQV-DGCLKSJQSA-N 318.381 -0.014 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(Cc2ncnn2C)C[C@H]1O 1099741425 SWWHZJHWPPVVSK-VXGBXAGGSA-N 309.370 -0.931 30 20 DBED Cn1ncc(CN2CC[C@@H](NC(=O)C#CC3CC3)[C@@H](O)C2)n1 1099826661 OJFGOECXSVOPFY-KGLIPLIRSA-N 303.366 -0.720 30 20 DBED Cc1nc(C)n(CCCC(=O)N[C@@H]2CCN(CC#N)C[C@H]2O)n1 1100071775 JRRQAHFZPPKGBV-ZIAGYGMSSA-N 320.397 -0.250 30 20 DBED C#CCNC1CC(CNC(=O)CNC(=O)c2ccncc2)C1 1100350950 FMRPJUTUDOSKDL-UHFFFAOYSA-N 300.362 -0.071 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)c2coc(OC)n2)C1 1100538153 GUKGRJRECAQILV-UHFFFAOYSA-N 320.349 -0.469 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)c2oncc2C)C1 1100820805 AJYBVBOJMPCNDZ-UHFFFAOYSA-N 304.350 -0.170 30 20 DBED C[C@@]12CN(CC(=O)NCC#N)C[C@@H]1CN(C(=O)[C@@H]1CCOC1)C2 1101150794 MUSPPIFSNLNTBV-IOASZLSFSA-N 320.393 -0.557 30 20 DBED C=CCO[C@H](C)C(=O)NC[C@@H]1CN(Cc2nnnn2C)C[C@H]1C 1102609514 CBZZNYUHAUJLQN-JHJVBQTASA-N 322.413 -0.015 30 20 DBED CC[C@@H](CNC(=O)C1CS(=O)(=O)C1)Nc1cncc(C#N)n1 1103200420 XPFCLBAUPRFUHD-JTQLQIEISA-N 323.378 -0.300 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)c1cnnn1C 1104545212 NFDAPLUHFBBFKW-VIFPVBQESA-N 300.326 -0.529 30 20 DBED C[C@H](CNc1nccnc1C#N)N(C)C(=O)C1(C(N)=O)CC1 1104793049 MVNVPVVFOBNOHN-SECBINFHSA-N 302.338 -0.127 30 20 DBED COC(=O)[C@@H]1C[C@@H]1C(=O)N1CC(n2cc(CNCC#N)nn2)C1 1105187630 BGUCQRTYCPSCSL-NWDGAFQWSA-N 318.337 -0.916 30 20 DBED N#CCNCc1cn(C2CN(C(=O)[C@H]3C[C@H]4C=C[C@H]3O4)C2)nn1 1105272238 DDBSHYPPJQQYSU-HZSPNIEDSA-N 314.349 -0.382 30 20 DBED C#CCNCc1cn(C2CN(C(=O)[C@H](COC)OC)C2)nn1 1105323510 DIMSXSKHUWROCS-ZDUSSCGKSA-N 307.354 -0.954 30 20 DBED Cc1cc(C#N)nc(N(C)CCN(C)C(=O)Cn2nccn2)n1 1105483279 HFLVWTVRQSFICB-UHFFFAOYSA-N 314.353 -0.157 30 20 DBED Cc1ncncc1C(=O)NC[C@@H](O)CNc1cncc(C#N)n1 1105723527 RLCDBMDFGNDMOJ-NSHDSACASA-N 313.321 -0.351 30 20 DBED C=CCOCC(=O)NC[C@H](O)CNc1cc(OCC)ncn1 1105748744 ZFFYFJOFPIKMJC-LLVKDONJSA-N 310.354 -0.033 30 20 DBED Cn1cc(C(=O)NC[C@@H](O)CNc2ncc(C#N)cc2F)nn1 1105816028 PJEPYBDKLPYHCI-VIFPVBQESA-N 319.300 -0.576 30 20 DBED CC[C@H](NC(C)=O)C(=O)NC[C@H](O)CNc1ccc(C#N)nc1 1106123053 IZSLGSRRVDESBG-KGLIPLIRSA-N 319.365 -0.243 30 20 DBED CCN(CCNc1cncc(C#N)n1)C(=O)[C@H]1CCNC1=O 1106910303 YIKGGYGHCWWMDN-NSHDSACASA-N 302.338 -0.255 30 20 DBED C=CCCOCC(=O)NCc1cn(C2CN(CCO)C2)nn1 1107241507 XJDMYRLNPXDPOH-UHFFFAOYSA-N 309.370 -0.664 30 20 DBED CN(C)C(=O)CN1CCO[C@](C)(CNC(=O)C#CC2CC2)C1 1107932792 SIWIWQJDQVMYHQ-MRXNPFEDSA-N 307.394 -0.305 30 20 DBED C=CCN1CCO[C@](C)(CNC(=O)CN(C)C(=O)COC)C1 1107979529 IBXQLXPHZOHBCU-OAHLLOKOSA-N 313.398 -0.516 30 20 DBED C[C@H](CNc1cnc(C#N)cn1)NC(=O)CN1CCCNC1=O 1108208645 MUPOLJOUVOGUEL-SNVBAGLBSA-N 317.353 -0.320 30 20 DBED C[C@@H](CNc1ccc(C#N)cn1)NC(=O)CN1CC(=O)NC1=O 1108483199 VNHBMKHXDJQYHJ-VIFPVBQESA-N 316.321 -0.578 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1CC(=O)N(C2CN(C[C@@H](C)O)C2)C1 1108560350 JYMNGNXJDSDAIX-VXGBXAGGSA-N 309.410 -0.019 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1 1108594218 MKRPMCLOYGLBCG-NWDGAFQWSA-N 306.366 -0.498 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)c1ccc(=O)n(C)c1 1108797121 PKTLFQDEPPNSBD-JTQLQIEISA-N 312.333 -0.301 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CN(C)c1nccc(OC)n1 1108940674 HEDNZKMHGXMPEF-NSHDSACASA-N 319.365 -0.434 30 20 DBED C[C@H](CN(C)c1ccc(C#N)nn1)NC(=O)[C@H]1CCC(=O)NC1 1109306032 XVGSRKCFTSMOLT-MNOVXSKESA-N 316.365 -0.185 30 20 DBED CN(CCCNc1cncc(C#N)n1)C(=O)C1(C(N)=O)CC1 1109613010 DLRJREMMEIGXRG-UHFFFAOYSA-N 302.338 -0.126 30 20 DBED Cc1c[nH]c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCC#N)n1 1109819460 MLJNZFXYPVGTDE-WOPDTQHZSA-N 316.365 -0.307 30 20 DBED N#Cc1nccnc1NC1(CNC(=O)[C@@H]2CNC(=O)N2)CC1 1110324432 OFIKWNDRHXUZSQ-VIFPVBQESA-N 301.310 -0.910 30 20 DBED CCOCC(=O)N(C)[C@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1111169675 FIUPHTRUWYOEKC-QWRGUYRKSA-N 305.338 -0.607 30 20 DBED CC(C)(C(N)=O)C(=O)N(CCO)CCN=c1cc[nH]cc1C#N 1111519529 PZJYWYYGAZAKID-UHFFFAOYSA-N 319.365 -0.881 30 20 DBED N#Cc1cncc(N2CCC[C@H](NC(=O)CC(N)=O)CC2)n1 1111980125 SGOPZGVZFYBPCB-JTQLQIEISA-N 302.338 -0.301 30 20 DBED C=CCNC(=O)NC(=O)CN1CCN(C(=O)c2cn[nH]c2)CC1 1112634508 PEIKPINWFKTEHA-UHFFFAOYSA-N 320.353 -0.821 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)c2coc(C)n2)CC1 1112788052 RQRSQXAGHJOXAV-LLVKDONJSA-N 304.350 -0.121 30 20 DBED COCC#CCN1CCN(C(=O)CCS(C)(=O)=O)CC1 1113024455 PNWDHYAQPVJNAV-UHFFFAOYSA-N 302.396 -0.785 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)[C@@]2(F)CCOC2)CC1 1113257493 WSEHJTDPUAOEBW-IUODEOHRSA-N 311.357 -0.603 30 20 DBED CNC(=O)NCC(=O)N[C@H](C)[C@H](C)Nc1nccnc1C#N 1113349533 FWKGTRQESYFOOR-BDAKNGLRSA-N 305.342 -0.418 30 20 DBED COC(=O)NCC(=O)NC[C@H](C)N(C)c1nc(C)cc(C#N)n1 1113512356 HZPQAMXRNIONBN-JTQLQIEISA-N 320.353 -0.046 30 20 DBED Cc1cc(C#N)nc(N(C)[C@@H](C)CNC(=O)[C@@H]2CCNC2=O)n1 1113802930 XQROCCYXRKOWMM-CMPLNLGQSA-N 316.365 -0.266 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)Cc3ccon3)[C@H]2C1 1114095160 CTFYAKNROQLITQ-RYUDHWBXSA-N 304.350 -0.434 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)c3cnc(C)n3C)[C@H]2C1 1114731320 SPHPUPLPTBJPNL-RYUDHWBXSA-N 317.393 -0.309 30 20 DBED CC#CCN1C[C@H]2C(NC(=O)C(C)(C)NS(C)(=O)=O)[C@@H]2C1 1114942399 LJGKHYLAKJVDKG-GHMZBOCLSA-N 313.423 -0.616 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)C[C@H]3CCN(C)C3)[C@@H]2C1 1115119414 WXOAFSBFJGDDPY-MGPQQGTHSA-N 318.421 -0.876 30 20 DBED C=CCCOCC(=O)NC1[C@H]2CN(Cc3nnn(C)n3)C[C@H]12 1115324340 PAYBWJQLNYXEIX-QWRGUYRKSA-N 306.370 -0.651 30 20 DBED COCC#CCN1C[C@@H]2C(NC(=O)CCOCCOC)[C@H]2C1 1115335876 ASXVTUUZLGUUQF-KBPBESRZSA-N 310.394 -0.264 30 20 DBED C=CCSCCNC(=O)C(=O)NCC1(S(C)(=O)=O)CC1 1117147250 NMEQRBSWMXOZPO-UHFFFAOYSA-N 320.436 -0.285 30 20 DBED C=CCn1cc(CNC(=O)C(=O)NCc2cc(CC)[nH]n2)nn1 1118110385 CFKAEADOQZXOQO-UHFFFAOYSA-N 317.353 -0.318 30 20 DBED C=C(C)CN(C)C(=O)C(=O)N1CC[C@H](S(=O)(=O)NCC)C1 1118823248 DGGREXRAIMCXFY-NSHDSACASA-N 317.411 -0.439 30 20 DBED C#CCN(C(=O)C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1)C(C)C 1119801566 IVXRSTBNPVOZMD-LLVKDONJSA-N 315.395 -0.993 30 20 DBED C#CCNC(=O)CN1CCN(c2ccnc(COC)n2)CC1 1120020510 TWSKLSVILMGEOF-UHFFFAOYSA-N 303.366 -0.506 30 20 DBED C[C@@H](CN(C)C(=O)Cn1ncnn1)N=c1cc[nH]cc1C#N 1120128215 HJRVIHXHKDDCSC-JTQLQIEISA-N 300.326 -0.679 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)[C@H]2CCC(=O)N2)cn1 1121331535 HHILZMRTRNGGSI-NWDGAFQWSA-N 303.322 -0.879 30 20 DBED N#Cc1cnc(N[C@H](CO)CNC(=O)C[C@@H]2CCOC2)cn1 1121400172 VHOQAQIUROLXCU-JQWIXIFHSA-N 305.338 -0.336 30 20 DBED Cc1ccnc(C(=O)NC[C@@H](CO)Nc2cnc(C#N)cn2)n1 1121506851 YZZGIHOFQNQUAT-NSHDSACASA-N 313.321 -0.351 30 20 DBED CCCN(C)CC(=O)NC[C@H](CO)Nc1ccc(C#N)nn1 1121889113 ZICXPXVUIYHKIG-GFCCVEGCSA-N 306.370 -0.421 30 20 DBED CN1C[C@H](C(=O)NC[C@H](CO)Nc2ncccc2C#N)CC1=O 1122718114 LPONNPVRZABXPY-VXGBXAGGSA-N 317.349 -0.679 30 20 DBED Cn1cnc([N+](=O)[O-])c1CNCCNC(=O)CSCC#N 1123787887 XEMHTDHBBNSGRK-UHFFFAOYSA-N 312.355 -0.209 30 20 DBED CC(=O)NCC(=O)N(C)C[C@H](O)CNc1nc(C)ccc1C#N 1124087163 ZUNHZAXUHHAFOT-CYBMUJFWSA-N 319.365 -0.371 30 20 DBED C=C[C@](C)(O)CC(=O)NCCN[C@@H](C)C(=O)NCCCOC 1126385062 SQEOKTIQIUVHGD-WFASDCNBSA-N 315.414 -0.440 30 20 DBED C#CCN1CCn2ncc(CNC(=O)[C@@H](CC)NC(C)=O)c2C1 1128498825 IZOHMVWSZJSWIE-CQSZACIVSA-N 317.393 -0.137 30 20 DBED C#CCCN[C@@H]1CN(C(=O)[C@@H]2CCCO2)C[C@@H]1n1ccnn1 1129553139 QGRYUXWLWHDCFL-RDBSUJKOSA-N 303.366 -0.178 30 20 DBED C=C(C)CN[C@@H]1CN(C(=O)CNC(=O)CC)C[C@@H]1n1ccnn1 1129683740 AITLNLYHKOVJLT-OLZOCXBDSA-N 320.397 -0.278 30 20 DBED N#CCNC(=O)CN1C[C@H]2C[C@H]3CN(C(=O)C4CC4)C[C@@]3(C1)O2 1131167871 NCOPITVCIMLUJM-WOSRLPQWSA-N 318.377 -0.662 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)c1cnc2nccn2c1 1131343152 VMRGGRHYIYPSGZ-LLVKDONJSA-N 316.365 -0.261 30 20 DBED C[C@@H]1CCN(C(=O)c2cnn[nH]2)C[C@H]1CNCC(=O)NCC#N 1132944878 AVWBYTJXSQQURU-GHMZBOCLSA-N 319.369 -0.868 30 20 DBED C=CCC1(C(=O)NCCNCCN2C(=O)CNC2=O)CCC1 1133395703 XETZKSOQTGAJOD-UHFFFAOYSA-N 308.382 -0.010 30 20 DBED Cc1ccc(C(=O)N[C@H](C)C[C@@H](C)NCC(=O)NCC#N)nn1 1134332876 IQWREBAKDVTSIR-VXGBXAGGSA-N 318.381 -0.089 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)CN1CCCC1 1146341401 XPESJDWAIUOIJK-ZIAGYGMSSA-N 308.426 -0.296 30 20 DBED C=CCOc1cccnc1C(=O)NCCNCc1nc(O)n[nH]1 1147290314 DHJHLCGKHNFWES-UHFFFAOYSA-N 318.337 -0.010 30 20 DBED C=CCOc1cccnc1C(=O)NCCNC[C@H](O)COC 1147290722 QJIWOTLIZDTBTO-LBPRGKRZSA-N 309.366 -0.027 30 20 DBED COCC#CCN1CCCO[C@@H](CNC(=O)c2cn[nH]c2)C1 1149215557 XMJRBSNCORFZGW-AWEZNQCLSA-N 306.366 -0.120 30 20 DBED COc1ccc(C#N)cc1CNCCNC(=O)CCNC(N)=O 1150424576 ULRPMEJAMMLYTI-UHFFFAOYSA-N 319.365 -0.169 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)CCn1cc(C)cn1 1152376758 LXHLEULWJACUOY-CYBMUJFWSA-N 307.398 -0.022 30 20 DBED C=CCCOCC(=O)NCCNCC(=O)NC(=O)NCC 1153080705 CPCJCAWIRCIKFD-UHFFFAOYSA-N 300.359 -0.869 30 20 DBED C=CCN(CC)[C@H](C)CNC(=O)CN(C)S(=O)(=O)N(C)C 1153312960 ODBKXSSXSGMDPP-GFCCVEGCSA-N 320.459 -0.263 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)[C@@]1(C)CNC(=O)C1 1154448580 UBRXCBBEYUVGSH-MLGOLLRUSA-N 322.409 -0.911 30 20 DBED C#CCOCCC(=O)NCCCNCc1ncnn1CCF 1157859378 JFYZUBKNOLZZKK-UHFFFAOYSA-N 311.361 -0.117 30 20 DBED CC[C@H](OC)C(=O)NCCC1(CNCC(=O)NCC#N)CC1 1163724762 FMCIWLYJARRHAV-LBPRGKRZSA-N 310.398 -0.073 30 20 DBED COCC#CCNCCCNC(=O)[C@H]1CCCS(=O)(=O)C1 1167535611 PTCNHKCJPIYAEE-ZDUSSCGKSA-N 316.423 -0.443 30 20 DBED C#CCNC(=O)[C@H](C)NCCCC[C@@H](C)NC(=O)CC(=O)NC 1170336871 DXXSLKYRNIOGOG-OLZOCXBDSA-N 324.425 -0.475 30 20 DBED N#CCNC(=O)CNCCCCCCNC(=O)[C@@]12COC[C@@H]1C2 1178531478 KBWYQYKSCRHEPW-BBRMVZONSA-N 322.409 -0.071 30 20 DBED C=CCNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)C(F)F)C1 1180562873 IQJDTYWRAVTQJQ-MRVPVSSYSA-N 304.297 -0.546 30 20 DBED C=CCNC[C@]1(C)CN(C(=O)CNC(=O)CNC(C)=O)C[C@H]1C 1181930866 LHTSJYALRWHLLW-MLGOLLRUSA-N 324.425 -0.501 30 20 DBED C=CCNC[C@@H]1CCN(C(=O)CS(=O)(=O)NC)C[C@H]1C 1185711078 YIUUKNUZPHBOQR-NEPJUHHUSA-N 303.428 -0.204 30 20 DBED COCC#CCN1C[C@@H]2CCN(C(=O)C[C@@H]3CCC(=O)N3)[C@@H]2C1 1189398932 SZBDBEVFTSYJQM-SOUVJXGZSA-N 319.405 -0.162 30 20 DBED N#Cc1cc(CN2C[C@@H](O)[C@H](NC(=O)CC(N)=O)C2)ccc1F 1191967780 RGSYEKVLXUECMW-CHWSQXEVSA-N 320.324 -0.766 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN([C@@H](C)C(=O)NCC(C)C)C[C@H]1O 1192805041 PQJHCIHCNSMPPQ-RRFJBIMHSA-N 323.437 -0.032 30 20 DBED COCCOc1ccc(C(=O)N[C@@H]2CN(CC#N)C[C@H]2O)cn1 1193536061 RPGACHGMZHBHMT-CHWSQXEVSA-N 320.349 -0.595 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(CCCOCC)C[C@H]1O 1193848823 CNXQFPCQHYIWOZ-OWCLPIDISA-N 323.437 -0.328 30 20 DBED CC#CCCCC(=O)N[C@@H]1CN(Cc2cnn(C)n2)C[C@H]1O 1195466656 DEFAGGYUZXTDNQ-ZIAGYGMSSA-N 305.382 -0.330 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCCN(C(=O)c2ncn(C)n2)CC1 1195737027 URJWVODVBXIKPG-GFCCVEGCSA-N 320.397 -0.346 30 20 DBED C#CCNC(=O)[C@H](C)N1CCCN(C(=O)c2cccnn2)CC1 1197527361 AAPKIIKPQGFUTM-ZDUSSCGKSA-N 315.377 -0.238 30 20 DBED CNC(=O)[C@H](C)NC[C@H]1CN(C(=O)C#CC2CC2)CCCO1 1200452554 JCYMWBKXIXLZBB-JSGCOSHPSA-N 307.394 -0.259 30 20 DBED C#CCO[C@H](C)C(=O)N1CCCO[C@H](CNCC#CCOC)C1 1200479255 PCWMTGBIJBBLNG-HZPDHXFCSA-N 322.405 -0.118 30 20 DBED C=CCNC(=O)[C@H](C)NC1CCN(C(=O)Cn2nccn2)CC1 1200776501 UCUBFOKDEJSIJT-LBPRGKRZSA-N 320.397 -0.451 30 20 DBED Cn1cc(C(=O)N2CCCO[C@@H](CNCC#N)C2)ccc1=O 1200872770 BGRJCSIJYIVTTD-ZDUSSCGKSA-N 304.350 -0.270 30 20 DBED C=CCNC[C@H]1CN(C(=O)Cn2nc(C)n(C)c2=O)CCCO1 1201983563 PXBZBIJJXBOZQY-ZDUSSCGKSA-N 323.397 -0.717 30 20 DBED CC(=O)CCCC(=O)N1CCC[C@H](NCC(=O)NCC#N)C1 1207305560 AXSZGNHJWMQGFO-ZDUSSCGKSA-N 308.382 -0.034 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@H](NCc2nonc2C)C1 1207870035 OPGPDJJLXYSWNK-LBPRGKRZSA-N 319.365 -0.402 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)[C@@H](CC)NC(C)=O)[C@H](C)C1 1208816969 JXZYCBSQYOOYKE-MRVWCRGKSA-N 324.425 -0.360 30 20 DBED Cc1ccnn1CC(=O)N1CCC[C@H](NCC(=O)NCC#N)C1 1209865299 FXNXJAZTIWSJJK-ZDUSSCGKSA-N 318.381 -0.588 30 20 DBED CNC(=O)C1(C(=O)N2CCC[C@@H](NCC#CCOC)C2)CC1 1210125487 RYDHCNPZIYOTPP-CYBMUJFWSA-N 307.394 -0.257 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2CCN(C)C2)C1 1211065587 XSHXLKHBAKDRRD-KGLIPLIRSA-N 308.426 -0.179 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)COCCC=C)[C@H](C)C1 1211420254 AIAFTDBCUHALPK-ZIAGYGMSSA-N 307.394 -0.235 30 20 DBED C=CCC[C@H](C)N1C[C@@H](NC(=O)c2nnn(C)n2)[C@H](OC)C1 1213275494 GUCFVFCISYSCMF-QJPTWQEYSA-N 308.386 -0.006 30 20 DBED C=CCOCCN1C[C@@H](NC(=O)[C@H](COC)OC)[C@H](OC)C1 1213414023 IEGLJMZPTVSCQF-MCIONIFRSA-N 316.398 -0.334 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)CNC(=O)CC)C[C@H]1C 1214338120 JZUAIKDYJNXKMB-VXGBXAGGSA-N 310.398 -0.749 30 20 DBED Cc1nccc(C(=O)N2C[C@@H](NCC(=O)NCC#N)[C@H](C)C2)n1 1216766728 IUWDLXUCJKFUMJ-ZWNOBZJWSA-N 316.365 -0.525 30 20 DBED C[C@@H]1CN(C(=O)CCNC(=O)[C@@H]2CCCO2)C[C@H]1NCC#N 1217037728 GRORQYWGKPWOEH-UPJWGTAASA-N 308.382 -0.368 30 20 DBED CC(C)C#CC(=O)N1CCO[C@@H]2CN([C@H]3CCN(C)C3=O)C[C@@H]21 1217839251 GYROSGCBYBDHJU-SOUVJXGZSA-N 319.405 -0.212 30 20 DBED C#CCC1(C(=O)N[C@@H]2CN([C@@H](C)C(=O)NC)C[C@@H]2O)CCC1 1219785716 XWMNLMSDBHGLKW-XQQFMLRXSA-N 307.394 -0.524 30 20 DBED CCOCC1(C(=O)N[C@@H]2CN(CC#CCOC)C[C@@H]2O)CC1 1219905233 XBMNQPOONOGWDR-KGLIPLIRSA-N 310.394 -0.386 30 20 DBED C#CCN[C@H]1CCCN(C(=O)CCNC(=O)[C@H]2CCCO2)C1 1222123460 QXGKVHDVBJCVJF-UONOGXRCSA-N 307.394 -0.115 30 20 DBED C=CCNC(=O)CN1CCC(CNC(=O)[C@@H]2CCNC2=O)CC1 1224025556 WBRJLOUYGCPXFC-CYBMUJFWSA-N 322.409 -0.747 30 20 DBED C=CCN1CCC(CNC(=O)[C@H](C)NS(C)(=O)=O)CC1 1224656873 LWACHRCIWMDNOJ-NSHDSACASA-N 303.428 -0.062 30 20 DBED O=C(NCCN/C(O)=C1/N=CC=CC1=O)NCC1(CO)CC1 1319038208 NMQPEXBTMNHVTK-QXMHVHEDSA-N 308.338 -0.416 30 20 DBED C=CCCOCC(=O)NC1(C(=O)OC)CCS(=O)(=O)CC1 1321238507 AZKPCAPFDKNIDR-UHFFFAOYSA-N 319.379 -0.184 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)NC[C@@H]2COC3(CCCC3)O2)CCO1 1322916746 QSIVUQMJHHBDQM-NWDGAFQWSA-N 323.349 -0.461 30 20 DBED C=CCS(=O)(=O)CCNC(=O)NCCC1(O)CCOCC1 1323303542 BBRPEUNIQIFATP-UHFFFAOYSA-N 320.411 -0.182 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N[C@@H]1CCN(C(=O)NCC)C1 1323527527 GRIRVCXXSUPTGG-WDEREUQCSA-N 312.370 -0.776 30 20 DBED C#CCOCCNC(=O)C(=O)Nc1cccc(C(N)=O)c1C 1325241234 XASZNNOXYFPIQM-UHFFFAOYSA-N 303.318 -0.202 30 20 DBED C=CCOC[C@@H](NC(=O)CN1CCC(CO)CC1)C(=O)OC 1337218512 JHZKIQHZNDIPFP-CYBMUJFWSA-N 314.382 -0.449 30 20 DBED C=CC[C@H](NC(=O)[C@@]1(OC)CCS(=O)(=O)C1)C(=O)OCC 1339407926 GHVHHHYZCDALRH-GXFFZTMASA-N 319.379 -0.186 30 20 DBED CNS(=O)(=O)N1CCC(C(=O)NC2(C#N)CCC2)CC1 1345413000 JSTIAFNJLJONEK-UHFFFAOYSA-N 300.384 -0.275 30 20 DBED CN1CC[C@@H](CNC(=O)CCn2cc(C#N)c(O)nc2=O)C1 1362140002 YSAFIKSDORJFGF-JTQLQIEISA-N 305.338 -0.721 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)NCCS(=O)(=O)C1CC1 1363943558 RKDNEACEWHTRDM-SNVBAGLBSA-N 323.440 -0.120 30 20 DBED CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)Nc1ccnc(C#N)c1 1364410044 UZDAEEKEBRYVRX-GHMZBOCLSA-N 310.335 -0.113 30 20 DBED CN(C)C(=O)OC1CCN(c2[nH]c(=O)n(C)c(=O)c2C#N)CC1 1364564182 ZPYNXETWTWLTKH-UHFFFAOYSA-N 321.337 -0.388 30 20 DBED C[C@@H](C(=O)N(C)C)N1CCN(CCN(C)C(=O)[C@H](C)C#N)CC1 1366853484 VMOXRLNQQIVQJT-KGLIPLIRSA-N 323.441 -0.301 30 20 DBED CCN(CCC#N)C(=O)CN1CC[C@@H](NC(=O)c2cnn[nH]2)C1 1369996575 LQPDYSJWLDZNDX-LLVKDONJSA-N 319.369 -0.629 30 20 DBED CNC(=O)NCC(=O)NC[C@@H](O)CNCc1ccccc1C#N 1401534047 BGHBVVOACNXNOQ-ZDUSSCGKSA-N 319.365 -0.946 30 20 DBED CNC(=O)NCCC(=O)N1CC[C@@H](CN(C)C(=O)[C@@H](C)C#N)C1 1415930275 DIYKRPKZFANXEW-RYUDHWBXSA-N 323.397 -0.228 30 20 DBED C[C@H](CNC(=O)[C@H](C)C#N)NC(=O)c1cnn(CCN(C)C)c1 1416821190 ZZGDSIFVGWWYMG-VXGBXAGGSA-N 320.397 -0.161 30 20 DBED CCC(=O)NCC(=O)NC[C@@H](O)CNCc1ccccc1C#N 1438988266 YJEBEIPOUAZKBS-AWEZNQCLSA-N 318.377 -0.349 30 20 DBED C=C(Cl)CN1CC[C@H]1CNC(=O)CN1CCN(C)C(=O)C1 1439527711 CUQJXSJEFSFHSZ-LBPRGKRZSA-N 314.817 -0.297 30 20 DBED C#CCNC[C@@H]1CCCCN1C(=O)CCS(=O)(=O)N(C)C 1485041409 JEXGEYMYJZJNBM-ZDUSSCGKSA-N 315.439 -0.128 30 20 DBED C[C@H](C#N)C(=O)N(CCNC(=O)CN1CCCNC1=O)C1CC1 1529800773 OPIZYPPSHBPYCI-LLVKDONJSA-N 321.381 -0.331 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@@H]2CC[C@H](C1)N2C(=O)CNC(=O)O 1573367790 AGTVDTSKEWJSOZ-UTUOFQBUSA-N 324.381 -0.380 30 20 DBED CN1C[C@H](N(C)c2cnc(C#N)c(-c3nn[nH]n3)n2)CCC1=O 1579320173 JNQWSZYZGZVQID-MRVPVSSYSA-N 313.325 -0.415 30 20 DBED C#CCCCC(=O)NCCNc1cncc(-c2nn[nH]n2)n1 1588339974 BGHAQTYNKNOQSB-UHFFFAOYSA-N 300.326 -0.012 30 20 DBED C#CCN1CCN(C(=O)CN2C[C@H](C(=O)O)CC[C@@H]2C)CC1 1588430806 OWOXVSUTUXSBNE-UONOGXRCSA-N 307.394 -0.051 30 20 DBED C=C[C@H](C(=O)O)N(CC)CC(=O)N[C@@H]1CCS(=O)(=O)C1 1588663739 KIOVGSUDUICWGN-NXEZZACHSA-N 304.368 -0.749 30 20 DBED CC(C)[C@@H](C(=O)O)C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1588816134 LPKYDAGCGWYCNI-SNVBAGLBSA-N 320.305 -0.439 30 20 DBED C=CCOC[C@@H](NC(=O)N(C)[C@@H]1CCS(=O)(=O)C1)C(=O)O 1588857264 WOCKNYZQNIXMHO-NXEZZACHSA-N 320.367 -0.529 30 20 DBED CCN(C(=O)CCn1cc(C#N)c(O)nc1=O)[C@H](C)C(=O)O 1589700297 XTONBBQIXMZGLI-MRVPVSSYSA-N 308.294 -0.468 30 20 DBED C#CC[C@@H](NC(=O)c1cc(S(=O)(=O)NC)cs1)C(=O)O 1602691892 CSXZWDGEORBPAN-MRVPVSSYSA-N 316.360 -0.138 30 20 DBED C=CCn1cc(C(=O)NS(=O)(=O)[C@@H](C)[C@@H](C)C(=O)O)nn1 1602937801 HOPBKVOUJSOKSE-SFYZADRCSA-N 316.339 -0.367 30 20 DBED CN(C[C@@H]1CCN1CC#N)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 1604748659 DMVBAQMXOPINJM-JTQLQIEISA-N 300.326 -0.135 30 20 DBED C#CCNC(=O)CN[C@H](C)CNC(=O)CCc1ccncc1 1752885151 JBZMTOIKWHIBGV-CYBMUJFWSA-N 302.378 -0.142 30 20 DBED C#CCCN(C)[C@@H]1CCCN(C(=O)CS(=O)(=O)N(C)C)C1 1752996806 IYCIHKWQGDQRBY-CYBMUJFWSA-N 315.439 -0.176 30 20 DBED C=CCOCC(=O)N1C[C@@H]2CC[C@H](C1)N2Cc1nnnn1C 1753303558 BLMWHOPSCFLRIB-TXEJJXNPSA-N 306.370 -0.412 30 20 DBED COCC#CCN1CC(CNC(=O)CCS(C)(=O)=O)C1 1753405922 WBQFONWFBQSOBP-UHFFFAOYSA-N 302.396 -0.881 30 20 DBED C=C(C)CN1CC[C@H](N(C)C(=O)CN(C)S(C)(=O)=O)C1 1753437801 ZPLSBUKAUBGMBX-LBPRGKRZSA-N 303.428 -0.013 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H](CC)CNC(=O)c1cc(OC)no1 1753474097 YHZKRRNDWVMFGG-MNOVXSKESA-N 322.365 -0.081 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CC[C@H](NCCN2C(=O)CNC2=O)CC1 1753579163 LUKCPBSSUCEDHN-SRVKXCTJSA-N 321.381 -0.285 30 20 DBED C#CCNC(=O)CNC[C@@H](C)CNC(=O)c1cncc(C#C)c1 1753631528 YNDDQBIKVSEGFB-CYBMUJFWSA-N 312.373 -0.232 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)[C@@H](NC(N)=O)C(C)(C)C)C1 1753655623 DEECIKZKXMXOJI-NWDGAFQWSA-N 310.398 -0.480 30 20 DBED COCC#CCNC[C@H](O)CNC(=O)C(C)(C)N1CCCC1 1753924265 YIEFNCGDCPAICZ-AWEZNQCLSA-N 311.426 -0.423 30 20 DBED C#CCCCC(=O)NC/C=C\CN[C@H](C)C(=O)NC(=O)NC 1754116697 VDQMOCQWKUVSBD-QDZRJHCZSA-N 308.382 -0.104 30 20 DBED C#Cc1cncc(C(=O)N[C@@]2(CO)CCCN(CC(N)=O)C2)c1 1754857192 BCFBFQGKPWDTKL-INIZCTEOSA-N 316.361 -0.895 30 20 DBED C#CCNC(=O)[C@H](C)NCC[C@H]1CCN(C(=O)COCC)C1 1754902312 NHEDYEYSBNCMPX-KBPBESRZSA-N 309.410 -0.011 30 20 DBED C#CCN[C@H](C)[C@H](C)NC(=O)Cn1[nH]cc2c(=O)ncnc1-2 1755260487 QLZQADYLEFVDCP-ZJUUUORDSA-N 302.338 -0.813 30 20 DBED C=C(C)CCN1CC(CCO)(NC(=O)[C@@H]2CN(C)CCO2)C1 1755331394 DFYGEIQCYVSTJQ-AWEZNQCLSA-N 311.426 -0.164 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@@H](C)N(C(=O)c2c[nH]c(C#N)c2)C1 1755674913 NLPNODPINTYMKT-RISCZKNCSA-N 313.361 -0.172 30 20 DBED CS(=O)(=O)CC(=O)NCC1[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]12 1756192587 QNDINWCSDOIMAZ-STQMWFEESA-N 324.402 -0.735 30 20 DBED C#CCCCCC(=O)NC[C@@H](CO)NC(=O)c1c[nH]c(=O)cn1 1756513487 ISYXLRWSYNWOGG-NSHDSACASA-N 320.349 -0.830 30 20 DBED C#CCCCC(=O)N(C)C[C@H](O)CNC(=O)[C@H]1CCCNC1=O 1756660283 DKUFTFSKGOMKHH-OLZOCXBDSA-N 323.393 -0.748 30 20 DBED C#CCOCCC(=O)N1C[C@@H](O)[C@H](NC(=O)C[C@@](C)(O)C=C)C1 1756992399 WTRWVROMMITVGY-IOASZLSFSA-N 324.377 -0.959 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1C[C@@H](NC(=O)CN2C(=O)CCC2=O)C1 1757329838 XFGJQFVDCZGZEI-GARJFASQSA-N 320.349 -0.694 30 20 DBED C=CCCC(=O)N[C@H]1CCN(C(=O)c2nnn(C)c2C)C[C@H]1O 1757561255 GPBJSBPJSHYVEH-NWDGAFQWSA-N 321.381 -0.219 30 20 DBED COC(=O)c1ncccc1S(=O)(=O)N1CC(O)(CC#N)C1 1771772683 MGCBNWCZJMWIBH-UHFFFAOYSA-N 311.319 -0.483 30 20 DBED C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)N(C)CC)C2)C1 1782620824 VOUBAQWSQXJTGV-CZUORRHYSA-N 307.394 -0.210 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(=O)cco1)CCO2 1783049830 VYVOCPCGQKIFBM-INIZCTEOSA-N 316.313 -0.284 30 20 DBED Cc1n[nH]cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC#N)C2 1798658086 GRELFSYHZGDCCU-GNXNZQSNSA-N 317.349 -0.165 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)OC)C2 1800450867 KZWJEQGLEFXSJD-QHBPRCKVSA-N 308.334 -0.838 30 20 DBED NCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)C#CC(=O)O)n[nH]1 1822200090 HBVLMMSCCXHTEH-SNVBAGLBSA-N 319.321 -0.552 30 20 DBED CCNC(=O)CN1CCN(CC(=O)N[C@](C)(C#N)C2CC2)CC1 74160821 WXLKBYDHYOEWIU-MRXNPFEDSA-N 321.425 -0.451 30 20 DBED CN1C(=O)C[C@@H](NS(=O)(=O)c2ccc(CC#N)cc2)C1=O 118434322 LONIIDJVEOIEBW-LLVKDONJSA-N 307.331 -0.212 30 20 DBED C#CC[C@@H](NC(=O)CS[C@@H]1CCS(=O)(=O)C1)C(=O)O 149697416 AIQDJJNEVLUIQL-RKDXNWHRSA-N 305.377 -0.501 30 20 DBED Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)N1CCOC[C@H]1C#N 175882447 KEGWBHRHXJRITP-LLVKDONJSA-N 315.333 -0.067 30 20 DBED C=CCN(C(=O)[C@@H]1C[C@H]1C(=O)OC)[C@@H]1CCS(=O)(=O)C1 263895296 NHTJWDQKYFYSPT-GMTAPVOTSA-N 301.364 -0.003 30 20 DBED Cn1cc(C[C@H](NS(=O)(=O)CC2(C#N)CC2)C(=O)O)cn1 275210892 HQQTULLVGJLGSF-JTQLQIEISA-N 312.351 -0.361 30 20 DBED C=CC[C@H](CC)NC(=O)N1CCN(C(=O)Cn2cnnn2)CC1 281280106 HYOIXXRKULNGOB-LBPRGKRZSA-N 321.385 -0.118 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2[C@H](C)CCN[C@@H]2C)C1=O 286007574 JAZKMCSHXXOPFJ-CKYFFXLPSA-N 322.365 -0.534 30 20 DBED C#CCNC(=O)CCN1C[C@H](C(=O)NCCOC)CC[C@@H]1C 293386874 GPJBXCFNRGNHAT-UONOGXRCSA-N 309.410 -0.011 30 20 DBED C[C@@H](CNS(=O)(=O)N(C)CCC#N)CN1CCN(C)CC1 330491865 PTVUDVXLBFMBHS-ZDUSSCGKSA-N 317.459 -0.450 30 20 DBED COC(=O)[C@@H]1CN([C@H](C)C(=O)N/C(O)=N/C(C)C)CCO1 330514022 DHNPHWIWPIITHK-ZJUUUORDSA-N 301.343 -0.313 30 20 DBED CN(CC(=O)N1CC(O)(CC#N)C1)S(=O)(=O)c1cccnc1 331944438 YNDCOONBLUKZSV-UHFFFAOYSA-N 324.362 -0.811 30 20 DBED CCN(CCC#N)S(=O)(=O)N(CC)[C@@H]1CCS(=O)(=O)C1 336901315 BUABJNAZZXZVJA-LLVKDONJSA-N 323.440 -0.024 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H]2CCC[C@@H](O)C2)C1=O 357140103 ZZIVGBRWQPEZTB-WDEREUQCSA-N 323.349 -0.370 30 20 DBED COC(=O)CN1CCN(C(=O)CNc2ccc(C#N)cn2)CC1 359813697 ZLCTUQPICWPLFV-UHFFFAOYSA-N 317.349 -0.318 30 20 DBED CC[C@H](C)N(CC(=O)O)S(=O)(=O)N1CCO[C@@H](C#N)C1 417422093 NPOVTZCIZJWWPE-UWVGGRQHSA-N 305.356 -0.359 30 20 DBED N#Cc1ncn(CC(=O)N2CCS(=O)(=O)[C@H]3CCCC[C@@H]32)n1 426875840 QCUQOKYKQQUHPL-QWRGUYRKSA-N 323.378 -0.282 30 20 DBED C=CCN(C)C(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 428271394 ZMKZIZLPIJWHBH-UHFFFAOYSA-N 300.340 -0.964 30 20 DBED Cn1cc(C#N)c(NS(=O)(=O)c2cc(C(N)=O)n(C)c2)n1 443420803 WNJZFXAZROFTSV-UHFFFAOYSA-N 308.323 -0.470 30 20 DBED COCCN(CC#N)CC(=O)NCC(C)(C)N1CCOCC1 459543289 LJFKRPSVRYHXIE-UHFFFAOYSA-N 312.414 -0.315 30 20 DBED C#CCNS(=O)(=O)CCCS(=O)(=O)Nc1ncccn1 491554565 KGRKDYGRAZFGEA-UHFFFAOYSA-N 318.380 -0.839 30 20 DBED Cn1nnc(CNC[C@H](O)COc2ccc(CC#N)cc2)n1 564864768 QXEZBYUDIVYQKE-LBPRGKRZSA-N 302.338 -0.194 30 20 DBED Cc1cccc(S(=O)(=O)N[C@]2(C(N)=O)CCOC2)c1C#N 573137198 GPYLGYUGAZOTNH-CYBMUJFWSA-N 309.347 -0.211 30 20 DBED C=C(C)COCCNC(=O)N[C@H]1CCN(S(C)(=O)=O)C1 576760001 OLVWVSCUUZXMHD-NSHDSACASA-N 305.400 -0.088 30 20 DBED N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2nc[nH]n2)cc1 589327907 QCLYGCODHDFBMU-UHFFFAOYSA-N 320.334 -0.729 30 20 DBED CN(C)c1nc(N)nc(C(=O)NCC2CCN(CC#N)CC2)n1 593892563 DDULYMHAYZNRKB-UHFFFAOYSA-N 318.385 -0.515 30 20 DBED C=C[C@](C)(O)C(=O)NC[C@@H](O)CS(=O)(=O)c1cccs1 612844885 IDHZDWXNAJKBSU-SKDRFNHKSA-N 319.404 -0.064 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1cnn(C[C@@H](O)CO)c1 614375680 VBQKSUJSSPRTRO-BNOWGMLFSA-N 309.366 -0.053 30 20 DBED C=C[C@H](CO)NC(=O)C(=O)Nc1ccc2c(c1)OCC(=O)N2C 658918841 JTZPMEQOWDGZKJ-SECBINFHSA-N 319.317 -0.357 30 20 DBED CS(=O)(=O)NCCC(=O)NCC(=O)c1ccc(C#N)cc1 671863020 LRWISUKLIJJQHB-UHFFFAOYSA-N 309.347 -0.204 30 20 DBED N#Cc1ccc([C@@H](OC(=O)CN2C(=O)CCC2=O)C(N)=O)cc1 734558640 OPHAWRJCCDOQSG-CQSZACIVSA-N 315.285 -0.223 30 20 DBED CN1CC[C@H](NC(=O)NCCNc2ccc(C#N)cn2)C1=O 738461585 VTBWOPASNCWBEQ-NSHDSACASA-N 302.338 -0.105 30 20 DBED C#CCCN1CCC(NC(=O)[C@@H](C)NS(C)(=O)=O)CC1 743493481 VQUOJWMTYQAGIC-LLVKDONJSA-N 301.412 -0.472 30 20 DBED C#CCOCCC(=O)N1CCC[C@H](CNS(C)(=O)=O)C1 755508502 NMYXUUWCCVNUMC-GFCCVEGCSA-N 302.396 -0.186 30 20 DBED C#C[C@H](NC(=O)C1CCN(S(N)(=O)=O)CC1)[C@H]1CCCO1 772881555 SDDFDPGIZDXMBX-NWDGAFQWSA-N 315.395 -0.801 30 20 DBED C#C[C@@H](NC(=O)N1CCN(CC(=O)N(C)C)CC1)[C@H]1CCCO1 776228038 NWPQGGASZCUDKG-ZIAGYGMSSA-N 322.409 -0.417 30 20 DBED C#CCOCCNS(=O)(=O)c1ccc2c(c1)NC(=O)CO2 784456802 CCOHOYBHBASTTL-UHFFFAOYSA-N 310.331 -0.054 30 20 DBED COCCN(CCC(=O)OC)S(=O)(=O)N(C)C[C@H](C)C#N 800052592 CKLGNPXQFRGNHZ-LLVKDONJSA-N 321.399 -0.166 30 20 DBED COC[C@H](C)NC(=O)NC(=O)COC(=O)c1cnccc1C#N 805718657 WHSISIRVYWNMET-VIFPVBQESA-N 320.305 -0.029 30 20 DBED C#CCCS(=O)(=O)NC(=O)[C@H](C)Sc1nncn1C 810786846 ZNWBNAKGUHPDOE-QMMMGPOBSA-N 302.381 -0.235 30 20 DBED NS(=O)(=O)c1ccc(C=Nn2c(O)nnc2O)cc1Cl 814232661 HKDFXCDMOVVFAE-UHFFFAOYSA-N 317.714 -0.128 30 20 DBED C=C(C)CONC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 846538251 OMOXDWLJEBZZOJ-UHFFFAOYSA-N 304.306 -0.130 30 20 DBED N#CCCNC(=O)COC(=O)c1ccc(-n2cnnn2)cc1 848979733 GPWBJUVLSMTMFR-UHFFFAOYSA-N 300.278 -0.151 30 20 DBED C#CCCN(CCOC)Cc1nc2c(=O)n(C)c(=O)n(C)c2[nH]1 852750911 IZTLTUDMYULMFO-UHFFFAOYSA-N 319.365 -0.568 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H]2C[C@H]1CN2[C@H](C)C(=O)NCC#C 879354094 RHQXSVBWYKHRNI-XGUBFFRZSA-N 316.405 -0.979 30 20 DBED C#CCN1CCC[C@H](NC(=O)NCCCn2cc(CO)nn2)C1 890365025 NUEUUXQVYAGJGW-ZDUSSCGKSA-N 320.397 -0.443 30 20 DBED C#CCN1CCC[C@H](NC(=O)NCCN2CCC(O)CC2)C1 896487844 FGRRWMMDPZLOFW-AWEZNQCLSA-N 308.426 -0.160 30 20 DBED C#CCNC(=S)N1CCN(c2nc(N)nc(C3CC3)n2)CC1 899633732 IJDHIHSMAWFSJP-UHFFFAOYSA-N 317.422 -0.039 30 20 DBED S=C(NCCN1CCOCC1)NN=C1CN2CCC1CC2 915047998 NKQJSIBRGSCKMU-UHFFFAOYSA-N 311.455 -0.136 30 20 DBED CCN(C1CCN(C(=O)NCC#CCO)CC1)S(C)(=O)=O 923779007 BDZCFQVHXSEIEZ-UHFFFAOYSA-N 317.411 -0.562 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cnn[nH]2)C1 938173844 YJMMSTUCLLLBID-AAEUAGOBSA-N 316.365 -0.767 30 20 DBED CO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1NC(=O)c1cnc(C)[nH]1 941359711 ZPUBREAHUJZPLF-GGZOMVNGSA-N 305.338 -0.167 30 20 DBED Cn1nnc(C(=O)N[C@@H]2CCCCN(C(=O)C#CC3CC3)C2)n1 943449353 UZTAFLUHALNXQF-GFCCVEGCSA-N 316.365 -0.266 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(O)(CN[C@H]2CCCNC2=O)CC1 946918897 VBQIKKYTOHLVNN-RYUDHWBXSA-N 308.382 -0.632 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)CC(N)=O)C[C@H]2C)nc1 948043385 REDANDWGTYWFSL-ZWNOBZJWSA-N 314.345 -0.485 30 20 DBED COc1c[nH]c(C(=O)N(C)C2CN(C(=O)[C@H](C)C#N)C2)cc1=O 954773064 YEMSOWXRTWHSJU-SECBINFHSA-N 318.333 -0.174 30 20 DBED COCC(=O)N1CC[C@H](N2CCN(C(=O)[C@@H](C)C#N)CC2)C1 956605568 LDVNPTFVONLOMH-STQMWFEESA-N 308.382 -0.462 30 20 DBED CC#CCN1CC(N(CC)C(=O)[C@@H]2COCCN2C(C)=O)C1 957404166 IROMBNRPBSRWPE-HNNXBMFYSA-N 307.394 -0.210 30 20 DBED C[C@@]1(NC(=O)[C@@H]2CNC(=O)N2)CCN(C(=O)C#CC2CC2)C1 957454508 CLHRWHUECARZBJ-XHDPSFHLSA-N 304.350 -0.812 30 20 DBED CC#CCN1C[C@H](CNC(=O)c2ccc3nnnn3c2)[C@@H](O)C1 958254232 NJDICMMEADAQQF-STQMWFEESA-N 314.349 -0.830 30 20 DBED C#CCCN1C[C@@H](O)[C@@H](CNC(=O)c2cn(CC3CC3)nn2)C1 958527251 XOARDUGGKHJYMR-DZGCQCFKSA-N 317.393 -0.266 30 20 DBED C#CCN1C[C@H]2C(NC(=O)[C@@H]3CCc4nnnn4CC3)[C@@H]2C1 961843821 CACSBZDKFDQQCS-IJLUTSLNSA-N 300.366 -0.695 30 20 DBED CC#CCN1C[C@@H]2C(NC(=O)Cc3c(C)nc(O)nc3O)[C@H]2C1 962132471 RFXIBOYQASEMOL-RYUDHWBXSA-N 316.361 -0.192 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)c1cnccn1 964065419 INBYDHZDNKXSKD-MNOVXSKESA-N 303.322 -0.407 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCCN(C(=O)C(N)=O)CC2)nn1 964907747 UZQPXKZANFMZID-JTQLQIEISA-N 320.353 -0.940 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)C1CN(C(=O)CC(N)=O)C1 968005086 GKFJDAFDAOPTFT-OLZOCXBDSA-N 323.393 -0.098 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(CC)C1CN(C(=O)CC(N)=O)C1 968081264 UQMMPAPMJFRCJK-ZDUSSCGKSA-N 320.393 -0.981 30 20 DBED C#CCCN1CC[C@H](C)[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)C1 968628143 SVSUDFOWQAOXMS-STQMWFEESA-N 320.393 -0.270 30 20 DBED C[C@@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)[C@@H]1CC(=O)N(C)C1)C2 969811360 KQKRFSFWZJZOBD-RNJOBUHISA-N 318.377 -0.174 30 20 DBED C=C(C)CN1CC([C@@H](C)NC(=O)[C@H]2CCS(=O)(=O)N2)C1 970890899 GQUAJYIOGCNXQX-ZYHUDNBSSA-N 301.412 -0.309 30 20 DBED CC#CCN1CCO[C@]2(CCN(C(=O)[C@H]3CCNC(=O)C3)C2)C1 972338700 JKTHLWZYVBBXMV-WMLDXEAASA-N 319.405 -0.161 30 20 DBED C=CCN1C[C@@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)C(C)(C)C1 975104433 XHFFSLANVAKACM-SNVBAGLBSA-N 322.365 -0.580 30 20 DBED N#Cc1ccc(C(=O)NC[C@H]2CCCN(C(=O)CC(N)=O)C2)[nH]1 975218119 GFIQPLHOYODPPF-SNVBAGLBSA-N 317.349 -0.270 30 20 DBED Cn1nnc(C(=O)NC[C@@H]2CCCN(C(=O)C#CC3CC3)C2)n1 975458991 MNQWWRKAGLZIHJ-LBPRGKRZSA-N 316.365 -0.408 30 20 DBED CNC(=O)CN1C[C@@H]2C(CNC(=O)c3ccc(C#N)[nH]3)[C@H]2C1 978023050 RCUITLHNTKATIQ-VXGBXAGGSA-N 301.350 -0.460 30 20 DBED N#Cc1cc(C(=O)N[C@H]2C[C@H](CNC(=O)c3nc[nH]n3)C2)c[nH]1 980141612 GZWRXYYIAGWEFD-CZMCAQCFSA-N 313.321 -0.057 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](CNC(=O)c2cc(=O)n(C)cn2)C1 983215318 LAJRGDKVDADOLZ-GHMZBOCLSA-N 317.349 -0.482 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](NC(=O)c2nnc(O)nc2O)[C@H]1C 989115230 ZRLADDYGACSNDM-PRJMDXOYSA-N 320.309 -0.838 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(NC(=O)c2cn(C)nn2)C1 991179906 LGQGVBPUXNSTSW-AAEUAGOBSA-N 319.365 -0.263 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)c2ccc(N(C)C)nn2)C1 996509618 UABWDEXBARXZAT-VIFPVBQESA-N 302.338 -0.357 30 20 DBED Cn1cc(C(=O)NCC2CN(C(=O)C#CC3CC3)C2)ncc1=O 1003591445 UKVZFBSUZSGBFJ-UHFFFAOYSA-N 314.345 -0.618 30 20 DBED C[C@@]1(C(=O)NC2[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]23)CCC(=O)N1 1013731720 YAQOWODMDGREDD-QFSBIZTOSA-N 315.373 -0.359 30 20 DBED CC#CCN1CC[C@H](NC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1 1015695856 QNJPQNRNRXCKNY-MJBXVCDLSA-N 307.394 -0.164 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCN(CC(=O)N3CCC3)C2)nn1 1015812842 IMEUKSQEIPVTIM-GFCCVEGCSA-N 318.381 -0.500 30 20 DBED C[C@H]1CCN(C(=O)C(N)=O)C[C@H]1CNC(=O)c1ccc(C#N)[nH]1 1018616138 CBKGVEQFOCBHEX-VHSXEESVSA-N 317.349 -0.414 30 20 DBED N#Cc1cccc(CN[C@H]2C[C@H](NC(=O)Cn3ncnn3)C2)c1 1020156402 KSJMBGCEIYARQK-HDJSIYSDSA-N 311.349 -0.018 30 20 DBED C#Cc1cncc(C(=O)N2C[C@@H]3[C@@H](CC[C@H]3NCC(N)=O)C2)c1 1026354535 ALRHHMPTBIVIJX-NWANDNLSSA-N 312.373 -0.012 30 20 DBED C=CCCn1cc(C(=O)NCC2CN([C@@H](CC)C(N)=O)C2)nn1 1032042256 WILRSUDIJQEREF-ZDUSSCGKSA-N 320.397 -0.220 30 20 DBED C#CCCN1CC[C@H](N(C)C(=O)Cn2ccc(=O)n(C)c2=O)C1 1033126646 NSIFWITWNPZBLD-ZDUSSCGKSA-N 318.377 -0.897 30 20 DBED N#CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)Cn1nnc(-c2ccco2)n1 1037474315 ZJTOZPIYFBUHTB-GBIKHYSHSA-N 313.321 -0.354 30 20 DBED C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cn(CC(N)=O)nn1 1039474322 BLIIQQMPQMHUIS-NEPJUHHUSA-N 316.365 -0.925 30 20 DBED C#CCCCC(=O)NC[C@]1(O)CCN(C(=O)c2cc[nH]n2)C1 1039573182 GKTKZNGXCVYJLH-OAHLLOKOSA-N 304.350 -0.094 30 20 DBED O=C(C#CC1CC1)NC[C@]1(O)CCN(C(=O)Cc2cnoc2)C1 1039685530 PBABFHADAOJFRS-MRXNPFEDSA-N 317.345 -0.290 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)Cn2ccccc2=O)C1 1041963207 JWCYUWLDQRQVDU-UHFFFAOYSA-N 319.361 -0.496 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)C[C@H]2COC(=O)C2)C1 1042553766 FKMHQTWTLTUREK-GFCCVEGCSA-N 322.361 -0.712 30 20 DBED C=C(C)CCC(=O)N1CC(O)(CNC(=O)C2(NC(N)=O)CC2)C1 1042649048 YQLWWDASOHKTTD-UHFFFAOYSA-N 324.381 -0.767 30 20 DBED CCOCCC(=O)N1CC(O)(CNC(=O)c2c[nH]c(C#N)c2)C1 1042669109 GDXFUELMMNSLIJ-UHFFFAOYSA-N 320.349 -0.384 30 20 DBED C=C[C@@](C)(CC)C(=O)N1CC(O)(CNC(=O)c2cn(C)nn2)C1 1042888134 ZKHOJTVEQOBDOH-AWEZNQCLSA-N 321.381 -0.280 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2cscn2)C1 1043040917 ZPNKHPVICHAIPL-JTQLQIEISA-N 323.374 -0.516 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)CN(C)C2CCC2)C1 1043536715 QEEZTBHFQKMPQN-UHFFFAOYSA-N 321.421 -0.036 30 20 DBED C=CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)CCCOC)C1 1043570737 KCZPEFCMGOSINE-GFCCVEGCSA-N 314.382 -0.306 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)CCCC)C1 1043651027 YJLWHPCKVGSIJJ-AWEZNQCLSA-N 321.421 -0.036 30 20 DBED N#Cc1nccc(N2C[C@H](O)[C@H](NC(=O)c3cccnn3)C2)n1 1044132926 OPUSDMPEUKNJDP-MNOVXSKESA-N 311.305 -0.882 30 20 DBED N#Cc1ccc(C(=O)N2CCC[C@H]2CN[C@H]2CCNC2=O)[nH]1 1044999586 FOUKSUTVCVZRFG-RYUDHWBXSA-N 301.350 -0.031 30 20 DBED Cc1ccnn1CC(=O)N1CC(O)(CNC(=O)[C@H](C)C#N)C1 1045554848 KSGWTRRRCFBYKQ-SNVBAGLBSA-N 305.338 -0.959 30 20 DBED CN1CCO[C@H](C(=O)NC[C@H]2CN(CC#N)CCC2(F)F)C1 1046926326 OXKINGWRGATDSA-RYUDHWBXSA-N 316.352 -0.086 30 20 DBED C=C(C)CN1C[C@H]2C[C@@H](NC(=O)CN3CCNC(=O)C3)C[C@H]1C2 1047122758 NLPPTYPRZDNKSO-RRFJBIMHSA-N 320.437 -0.037 30 20 DBED C=C[C@@](C)(O)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)COCC)C1 1048124269 XOYHULFVSUKBNU-SLEUVZQESA-N 314.382 -0.620 30 20 DBED N#CCN1C[C@@H]2CCCN(C(=O)CC[C@H]3NC(=O)NC3=O)[C@@H]2C1 1050196814 MRZLFNAFVZMIGK-QJPTWQEYSA-N 319.365 -0.579 30 20 DBED C#CCOCCC(=O)N[C@H](C)[C@@H]1CCN(C(=O)CC(=O)NC)C1 1050558376 NDNIJZSKSFHSRV-CHWSQXEVSA-N 323.393 -0.484 30 20 DBED CC(=O)N1CCC[C@H](C(=O)NC[C@H]2COCCN2CC#N)C1 1051008537 XREVDIPFOVLINN-KBPBESRZSA-N 308.382 -0.415 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2COCCN2CC(=O)NC)cn1 1051214326 KZJCWANJGTWJAB-AWEZNQCLSA-N 316.361 -0.761 30 20 DBED C=CCOCC(=O)N1C[C@@H](C)[C@H](CNC(=O)Cn2ncnn2)C1 1052221842 UKIACVNFYTWFQI-VXGBXAGGSA-N 322.369 -0.914 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1CNC(=O)CNC(N)=O 1052548210 MHCXDPXDUZUMSB-PWSUYJOCSA-N 306.366 -0.721 30 20 DBED CCN1CC[C@H](N2CC3(CN(C(=O)[C@@H](C)C#N)CCO3)C2)C1=O 1053191048 KUEGRIPOHDIANF-STQMWFEESA-N 320.393 -0.320 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC2(CN(CCN3CCNC3=O)C2)C1 1053191690 SVIOQNKKPWJVIR-LBPRGKRZSA-N 321.381 -0.916 30 20 DBED C=CCN1CC2(C1)CN(C(=O)[C@@H]1CN3CCC[C@@H]3CO1)CCO2 1053262829 FAPWXJSSPKLYQU-CABCVRRESA-N 321.421 -0.051 30 20 DBED C=C(C)CN1CC2(C1)CN(C(=O)C[C@@H]1NC(=O)NC1=O)CCO2 1053291402 NGJCQBZJCLNRML-NSHDSACASA-N 322.365 -0.926 30 20 DBED C=C(C)CCN1CC2(C1)CN(C(=O)[C@H]1CN(C)C(=O)N1)CCO2 1053374605 HTIFMNJVPIQVMB-CYBMUJFWSA-N 322.409 -0.111 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)C[C@H]3CCC(=O)N3C)CO2)C1 1053889170 CMEZQOZIWFLJKZ-CHWSQXEVSA-N 305.378 -0.410 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)[C@H]3CCCN3C(C)=O)CO2)C1 1054019276 RROBJEQVEYJCPQ-HUUCEWRRSA-N 319.405 -0.020 30 20 DBED C[C@H](C#N)C(=O)NC1CCN(CCNC(=O)[C@H]2CCOC2)CC1 1055540254 XGTGBMOZKZXVJS-OLZOCXBDSA-N 322.409 -0.121 30 20 DBED COCC(=O)N[C@@]1(CO)CCCN(C(=O)c2ccc(C#N)[nH]2)C1 1055704904 CFBDBZUDMLQMLK-HNNXBMFYSA-N 320.349 -0.384 30 20 DBED N#Cc1ccc(N2CCN(C(=O)[C@H]3CCC(=O)N3)CC2)nn1 1055746269 OPVNYLOSBQMJIM-LLVKDONJSA-N 300.322 -0.725 30 20 DBED C=CCO[C@H](C)C(=O)NCCN(CCO)C(=O)c1cnccn1 1056837055 PYDCMPYQRXNKTN-GFCCVEGCSA-N 322.365 -0.382 30 20 DBED CSCCC(=O)N(CCO)CCNC(=O)CSCC#N 1056907758 WXNGDASBCOQEQM-UHFFFAOYSA-N 319.452 -0.067 30 20 DBED CC(C)[C@@H](O)C(=O)NCCN(CCO)C(=O)CSCC#N 1057026492 ASSFRWAQFJFZMI-GFCCVEGCSA-N 317.411 -0.803 30 20 DBED N#Cc1nccnc1N1CCCN(C(=O)[C@H]2CCC(=O)N2)CC1 1057106190 OAHGHBFOAUOHSO-LLVKDONJSA-N 314.349 -0.334 30 20 DBED C=CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)[C@H](CC)OC 1057156776 JNZQSXFFXKADIU-STQMWFEESA-N 316.398 -0.060 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)[C@@H]1C[C@H]1C(=O)OC 1057177581 HQUYXZLQMKJGIP-CHWSQXEVSA-N 324.377 -0.464 30 20 DBED CS(=O)(=O)CC(=O)N1CCC(N=c2cc[nH]c(C#N)n2)CC1 1057292080 BYPVGLIOOISMNR-UHFFFAOYSA-N 323.378 -0.782 30 20 DBED C#CCO[C@H](C)C(=O)NCCN(CCO)C(=O)Cc1ccoc1 1057418568 CIXFQWAMSKSSLR-CYBMUJFWSA-N 322.361 -0.203 30 20 DBED O=C(CCn1cncn1)NCCN(CCO)C(=O)C#CC1CC1 1057531763 YGHWFKJXUCZGDD-UHFFFAOYSA-N 319.365 -0.981 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)c1cc(C2CC2)[nH]n1 1058933756 OKICLZNKEFCLDW-JTQLQIEISA-N 319.365 -0.003 30 20 DBED N#Cc1nc(=NC[C@@H]2CCCCN2C(=O)CC(N)=O)cc[nH]1 1060227001 AZOROBRHPAECPQ-JTQLQIEISA-N 302.338 -0.561 30 20 DBED N#Cc1cnc(NC[C@H]2CCN(C(=O)Cc3nc[nH]n3)C2)cn1 1060918851 RTVODMPEVKILOA-SNVBAGLBSA-N 312.337 -0.031 30 20 DBED CC(=O)N(C)CC(=O)NC[C@@H]1COCCN1C(=O)C#CC1CC1 1061321266 AKWOTRUMTVFJQI-CQSZACIVSA-N 321.377 -0.778 30 20 DBED N#Cc1nccc(N2CCC[C@H]2CNC(=O)[C@H]2CCC(=O)N2)n1 1061328840 YDPSCLPLYXSROJ-WDEREUQCSA-N 314.349 -0.288 30 20 DBED N#Cc1ccc(N2CCC[C@H]2CNC(=O)[C@H]2CNC(=O)N2)cn1 1061441059 NWWPJRIYOXCOOW-WCQYABFASA-N 314.349 -0.280 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)Cc1ccn(C)n1 1061576304 JYMMOBBRAAYIBX-DGCLKSJQSA-N 319.365 -0.534 30 20 DBED Cn1nncc1C(=O)NC[C@@H]1CCN(c2cncc(C#N)n2)C1 1061593088 URENZRTYCYCLNO-JTQLQIEISA-N 312.337 -0.267 30 20 DBED C=CCOCC(=O)N1CCOC[C@H]1CNC(=O)c1ccncn1 1061806124 HSLNAVGISJYJNH-GFCCVEGCSA-N 320.349 -0.364 30 20 DBED CN(CC1CCN(C(=O)C(N)=O)CC1)c1ccnc(C#N)n1 1062228697 JGVJLUMJZUZENX-UHFFFAOYSA-N 302.338 -0.492 30 20 DBED N#Cc1cncc(N2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CCC(=O)N2)n1 1062513782 GUJFMJYYXKGSCS-SRVKXCTJSA-N 312.333 -0.584 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CN(C(=O)c2cc[n+]([O-])cc2)CCO1 1064807774 FGYUTULVDCJXEN-WCQYABFASA-N 318.333 -0.563 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H]1CCCN1C(=O)[C@H]1CCNC1=O 1064983556 AOVIYLVBZSGXJS-STQMWFEESA-N 313.361 -0.086 30 20 DBED COCC(=O)N1CCO[C@@H]([C@H](C)N=c2cc[nH]c(C#N)n2)C1 1068218004 HUNLEEYUQMATQF-WDEREUQCSA-N 305.338 -0.556 30 20 DBED C#CCO[C@H](C)C(=O)N1CC2(C[C@H](NC(=O)C3CC3)CO2)C1 1068641717 GWXKZDQQWCETGV-YPMHNXCESA-N 306.362 -0.079 30 20 DBED C=CCOCC(=O)N1CCC[C@@H](NC(=O)[C@@H]2CN(C)C(=O)N2)C1 1070554070 DTQJOTPCARMFND-NEPJUHHUSA-N 324.381 -0.680 30 20 DBED CC[C@H](C(N)=O)N1CCNC(=O)CCN(C(=O)[C@H](C)C#N)CC1 1070948528 PYXORUQKZBVUDM-VXGBXAGGSA-N 323.397 -0.940 30 20 DBED C#CCN1CC[C@]2(C1)CN(C(=O)CN1CCCC1=O)C[C@@H](C)O2 1071133519 CEMOQWXBIPWZQK-PBHICJAKSA-N 319.405 -0.066 30 20 DBED CC#CCCCC(=O)N[C@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1C 1071555299 BDFHTVIBDJGONC-STQMWFEESA-N 318.381 -0.170 30 20 DBED C=CCCC(=O)N1C[C@H](C)[C@@H](NC(=O)c2nnc(O)nc2O)C1 1071787545 PIZKJLHTARHDOR-IUCAKERBSA-N 321.337 -0.174 30 20 DBED C[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1NC(=O)CC(N)=O 1071926521 ZHKTYOAZZWIVAO-KWQFWETISA-N 303.322 -0.662 30 20 DBED C[C@@H](C#N)C(=O)NC1(C)CCN(C(=O)Cn2ncnn2)CC1 1073048332 SLSWPGBAICEBAO-JTQLQIEISA-N 305.342 -0.670 30 20 DBED CCOCC(=O)N1CCN(C2CN(C(=O)[C@H](C)C#N)C2)CC1 1073531302 SBMZRLMSKOCEKG-GFCCVEGCSA-N 308.382 -0.462 30 20 DBED C=CCOCC(=O)N1CC[C@H](NC(=O)CNC(C)=O)[C@@H](C)C1 1073657234 ZDKPLAHUTQTCRE-AAEUAGOBSA-N 311.382 -0.322 30 20 DBED C#CCCN1CCCO[C@H](CNC(=O)c2cn(C)c(=O)cn2)C1 1073703131 GFVIRDRAFDEHHM-CYBMUJFWSA-N 318.377 -0.376 30 20 DBED C#CCCN1CCCO[C@@H](CNC(=O)[C@H]2CN(C)C(=O)N2)C1 1073727178 VITZEEBSUOKPGF-QWHCGFSZSA-N 308.382 -0.760 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)C3CN(C(C)=O)C3)C[C@@H]21 1074225540 FQWBCQQJHBEVGG-LSDHHAIUSA-N 305.378 -0.600 30 20 DBED COCC(=O)N1CCC(O)(CNC(=O)c2ccc(C#N)[nH]2)CC1 1074416593 ZCDRGLHWBMCPDZ-UHFFFAOYSA-N 320.349 -0.384 30 20 DBED C=CCOCC(=O)N1CC[C@H](NC(=O)C2(C(N)=O)CC2)C[C@H]1C 1075140087 SZKQZPVDIHTXPC-NEPJUHHUSA-N 323.393 -0.050 30 20 DBED CNC(=O)CC(=O)NCC[C@H](C)NC(=O)c1c[nH]c(C#N)c1 1076254097 CGNAMIFGNRADBI-VIFPVBQESA-N 305.338 -0.353 30 20 DBED C#CCOCCC(=O)NCC[C@H](C)NC(=O)CNC(=O)OC 1076504133 NHKJJHBESXRRSM-NSHDSACASA-N 313.354 -0.607 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CN(Cc3cnns3)C[C@H]2O)c[nH]1 1076907540 SNEWGDWLEUALME-VXGBXAGGSA-N 318.362 -0.287 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)c2cccn3nnnc23)C1 1077056475 XEBFQLDSPVHODR-VXGBXAGGSA-N 302.338 -0.525 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCN(C)C2=O)C1 1077533608 KNWDVSNOJRRKMC-HBNTYKKESA-N 301.774 -0.622 30 20 DBED C=C(Cl)CN1C[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)[C@H](C)C1 1079875889 FPWKRSBUTOEGNH-FKTZTGRPSA-N 314.773 -0.227 30 20 DBED C=C(C)CCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cnnn2C)C1 1081446584 BZKIEKLJPUZPQC-YPMHNXCESA-N 321.381 -0.280 30 20 DBED C#CCCN1C[C@@H](NC(=O)CC2CS(=O)(=O)C2)[C@H](OC)C1 1081872060 PMALVILGMQFWEB-CHWSQXEVSA-N 314.407 -0.740 30 20 DBED CC#CCN1C[C@@H](NC(=O)[C@H]2CCC(=O)N(C)C2)[C@H](OC)C1 1082385967 NJIDQYYVNYQLGB-BFHYXJOUSA-N 307.394 -0.307 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)c2c[nH]nc2[C@H]2CCOC2)C1 1083674128 OAHVFWNGMJRNKH-YUTCNCBUSA-N 318.377 -0.288 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)c2cc(Cn3cccn3)on2)C1 1083932200 VFDQQNJEVGQLLD-KGLIPLIRSA-N 317.349 -0.120 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)CN2CCc3sccc3C2)C1 1084083198 CJGKYKKJDMPGQL-OLZOCXBDSA-N 320.418 -0.209 30 20 DBED C#CCCN1CC[C@H]1CN(C)C(=O)c1cn(C)c(=O)nc1O 1085967877 XJFWQGRNAMMBDV-NSHDSACASA-N 304.350 -0.345 30 20 DBED CCN(c1cnc(C#N)cn1)[C@H](C)CNC(=O)CNC(N)=O 1089571995 RXRNFSISVVVEGQ-SECBINFHSA-N 305.342 -0.652 30 20 DBED CC(C)Oc1cnc(C(=O)N[C@@H]2CCN(CC#N)C[C@H]2O)cn1 1090270791 ZSVCPKKUTNKEHP-DGCLKSJQSA-N 319.365 -0.048 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2cc3c(cn2)OCCO3)[C@@H](O)C1 1090329717 LUQRGBDLQUEVHO-PWSUYJOCSA-N 318.333 -0.459 30 20 DBED Cc1nc2c(C(=O)N[C@H]3CCN(CC#N)C[C@@H]3O)ccnc2[nH]1 1090447271 YFEFUHJIMPXZDW-RYUDHWBXSA-N 314.349 -0.045 30 20 DBED C#CCCN1CC[C@H](NC(=O)C(C)(C)N2CCOCC2)[C@@H](O)C1 1090640870 LDADKMLEZZAXPI-GJZGRUSLSA-N 323.437 -0.328 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2ccc(OC)nn2)[C@@H](O)C1 1090703124 BHXCNBGGFVFRIE-AAEUAGOBSA-N 304.350 -0.327 30 20 DBED C[C@@H]1[C@@H](NC(=O)CCNC(N)=O)CCN1c1cnc(C#N)cn1 1091969157 ONDZMYTZTMBASP-KOLCDFICSA-N 317.353 -0.510 30 20 DBED N#Cc1cncc(NC2CC(CNC(=O)CNC(N)=O)C2)n1 1092186567 SSVPHWXOLIIGCV-UHFFFAOYSA-N 303.326 -0.677 30 20 DBED C#CCN1C[C@@H]2CN(C(=O)Cn3c(O)nnc3O)C[C@]2(C)C1 1092232329 HQUOPOSFKJMZFS-YGRLFVJLSA-N 305.338 -0.897 30 20 DBED C=CCCN1C[C@@H](C)[C@H](CNC(=O)c2cn(CC(N)=O)nn2)C1 1093225551 NHXINHQWMSMADU-VXGBXAGGSA-N 320.397 -0.363 30 20 DBED Cc1cc(COCC(=O)NCCN=c2cc[nH]c(C#N)n2)no1 1093964954 SKBZQZREHNEVAZ-UHFFFAOYSA-N 316.321 -0.189 30 20 DBED CC[C@@]1(C(=O)NCCNc2cncc(C#N)n2)CCNC1=O 1094219520 YLPASIJBRNOIJC-CQSZACIVSA-N 302.338 -0.207 30 20 DBED C=C(C)CN1CC(n2cc(CNC(=O)[C@@H]3COC(=O)N3)nn2)C1 1094287220 FWIHJGCVHCUMRO-LBPRGKRZSA-N 320.353 -0.565 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)c3snnc3C)CC2=O)C1 1094702922 HOZWBWXUMFZYKU-JTQLQIEISA-N 319.390 -0.505 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)c3c[nH]c(C#N)c3)CC2=O)C1 1094722828 XSYONEQAMYSWHM-ZDUSSCGKSA-N 311.345 -0.466 30 20 DBED C#CCCN1CC(N2C[C@@H](NC(=O)c3cncn3C)CC2=O)C1 1094753518 MMHGEYUWVLGRLA-LBPRGKRZSA-N 315.377 -0.542 30 20 DBED Cc1ncccc1C(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1 1094776859 IBMCSGARKHIMTB-LBPRGKRZSA-N 313.361 -0.072 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)Cc3cnc[nH]3)CC2=O)C1 1094793276 PEHLWQURYPMBKH-LBPRGKRZSA-N 303.366 -0.461 30 20 DBED Cn1cnc(C(=O)N2C[C@H]3C[C@H](NCC#N)C[C@H]2C3)cc1=O 1094941633 RBCRBIKFOHDXKL-SDDRHHMPSA-N 301.350 -0.113 30 20 DBED CN(CCCNC(=O)Cn1cnnc1O)c1cncc(C#N)n1 1095541319 RMMZMOGEIBQHTI-UHFFFAOYSA-N 316.325 -0.712 30 20 DBED CN(CCCNC(=O)CCNC(N)=O)c1ccc(C#N)nn1 1095557026 ZXDBOBYUQIMQQQ-UHFFFAOYSA-N 305.342 -0.651 30 20 DBED C[C@H](C(=O)N[C@@H]1CCN(c2cncc(C#N)n2)C1)S(C)(=O)=O 1096502043 JCTHBTLGLAIDIZ-NXEZZACHSA-N 323.378 -0.524 30 20 DBED CCS(=O)(=O)CC(=O)N1CC[C@H](Nc2ccc(C#N)nn2)C1 1096943256 SMHPRKDUORRJJC-NSHDSACASA-N 323.378 -0.204 30 20 DBED CC(=O)N[C@@H](C)C(=O)N[C@H]1C[C@@H](N=c2cc[nH]c(C#N)n2)C1 1097144593 IWRUMEYYODJOBF-INTQDDNPSA-N 302.338 -0.646 30 20 DBED COCCCOCC(=O)NC[C@H](C)N=c1cc[nH]c(C#N)n1 1098048926 GBSITQDKUKTOAS-NSHDSACASA-N 307.354 -0.260 30 20 DBED Cc1ccc(C#N)c(N[C@@H](C)CNC(=O)Cn2ncnn2)n1 1098084335 IONMTGSYOABDCG-JTQLQIEISA-N 300.326 -0.135 30 20 DBED C[C@H](CNC(=O)Cn1ncn(C)c1=O)Nc1ccc(C#N)nc1 1098123379 AKNVSDAUPTYRLY-SNVBAGLBSA-N 315.337 -0.535 30 20 DBED CCN1CCOC[C@H]1C(=O)NC[C@H](C)N=c1cc[nH]c(C#N)n1 1098129154 WKEUGROXZOXJMJ-RYUDHWBXSA-N 318.381 -0.593 30 20 DBED CC(=O)N[C@H](C)C(=O)N1CC[C@H](n2cc(CNCC#N)nn2)C1 1098607964 JQJQVPGZUIUQOS-MFKMUULPSA-N 319.369 -0.811 30 20 DBED C[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)CC2(CCN(CC#N)CC2)O1 1098630461 FSDIRBXYUHWLLT-VXGBXAGGSA-N 321.381 -0.727 30 20 DBED N#CCNCc1cn([C@H]2CCN(C(=O)CC3(O)CCC3)C2)nn1 1098668937 CTUKZYOOBAQAKL-ZDUSSCGKSA-N 318.381 -0.030 30 20 DBED C#CCN[C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1C(F)(F)F 1099340649 XNGJHGUVJUQENZ-NXEZZACHSA-N 301.272 -0.110 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)C2CC=CC2)[C@H](O)C1 1099743352 IDEZMVPOJBXUIQ-UONOGXRCSA-N 305.378 -0.747 30 20 DBED C=CCOCCCC(=O)N[C@@H]1CCN(CCCO)C[C@@H]1O 1099766811 QNERAELNCGDJIB-KGLIPLIRSA-N 300.399 -0.097 30 20 DBED C=CCCN1CC[C@H](NC(=O)CCN2C(=O)CCC2=O)[C@@H](O)C1 1099908451 DLANOGWLMUHQEN-STQMWFEESA-N 323.393 -0.347 30 20 DBED C=C(C)C(C)(C)C(=O)N[C@@H]1CCN(Cc2nnn(C)n2)C[C@H]1O 1099947554 XUEXSZSTVLPQLZ-VXGBXAGGSA-N 322.413 -0.136 30 20 DBED C=C(Cl)CN1CC[C@@H](NC(=O)CC(=O)N(C)C)[C@@H](O)C1 1100027126 MJLNKJQDPOLIDX-MNOVXSKESA-N 303.790 -0.231 30 20 DBED C#CCNC(=O)CC(=O)NCCN(C)c1ccc(C#N)c(C)n1 1100037617 JEHTYTKGAOXZMX-UHFFFAOYSA-N 313.361 -0.046 30 20 DBED CN1CC[C@@H](C(=O)NCCN(C)c2ccnc(C#N)n2)CC1=O 1100398380 FRZNSADYYPVROR-LLVKDONJSA-N 316.365 -0.231 30 20 DBED N#Cc1cccnc1N1CCC[C@H]1CNC(=O)Cn1cnnn1 1100776379 GVFZBDSTEJKAHM-LBPRGKRZSA-N 312.337 -0.275 30 20 DBED N#CCN1CC[C@H](Oc2ccnc(CNC(=O)CC(N)=O)c2)C1 1101092824 YITFGDTYNBPOTG-ZDUSSCGKSA-N 317.349 -0.450 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)CCCC(N)=O)c3nccn32)C1 1101654396 QPHPLQSHRKAKTD-NSHDSACASA-N 316.365 -0.366 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](C)[C@H](CNC(=O)c2cnn[nH]2)C1 1102118374 BIEVBAWSRWQCNW-GRYCIOLGSA-N 318.381 -0.760 30 20 DBED CN(C(=O)CCNC(N)=O)[C@H]1CCN(c2cncc(C#N)n2)C1 1102709736 LOHIPIQAFPQXKT-NSHDSACASA-N 317.353 -0.556 30 20 DBED CC[C@H](CNC(=O)c1nnn(C)n1)Nc1cnc(C#N)cn1 1103276225 YZEOKEAPADBBFP-MRVPVSSYSA-N 301.314 -0.508 30 20 DBED CC[C@@H](CNC(=O)CNC(=O)NC)Nc1ccc(C#N)nn1 1103352730 MYCPPUYYFAWYTH-VIFPVBQESA-N 305.342 -0.416 30 20 DBED COC(=O)NCC(=O)NC[C@H](C)CN=c1cc[nH]cc1C#N 1103856440 BXYUBEZDYOLANJ-SNVBAGLBSA-N 305.338 -0.105 30 20 DBED C[C@@H](CNC(=O)[C@H]1CN(C)CCO1)CNc1cnc(C#N)cn1 1103889899 KIIATJVXLFRPHM-DGCLKSJQSA-N 318.381 -0.157 30 20 DBED C[C@H](CNC(=O)[C@@H]1COC(=O)N1)CNc1cnc(C#N)cn1 1103943506 KYGGQMRFDNOCHI-WPRPVWTQSA-N 304.310 -0.379 30 20 DBED Cc1cc(=NC[C@@H](C)CNC(=O)[C@@H]2CCNC2=O)c(C#N)c[nH]1 1104157666 RDZQJXMDMFBUSY-ZWNOBZJWSA-N 315.377 -0.016 30 20 DBED CN(C)CCC(=O)NC[C@H]1CN(c2cncc(C#N)n2)CCO1 1104347076 VVUUTGIIWGZOAG-ZDUSSCGKSA-N 318.381 -0.379 30 20 DBED C[C@H](CN=c1cc[nH]cc1C#N)N(C)C(=O)CN1CCOCC1 1104527417 MMMLWEXAQRHMKA-CYBMUJFWSA-N 317.393 -0.034 30 20 DBED C[C@@H](CNc1cncc(C#N)n1)N(C)C(=O)CCNC(N)=O 1104565261 POOOBYLQGKNTBS-VIFPVBQESA-N 305.342 -0.335 30 20 DBED C=CCNCc1cn(C2CN(C(=O)Cc3ccnn3C)C2)nn1 1105223862 LYQHUSPIGUYFKK-UHFFFAOYSA-N 315.381 -0.087 30 20 DBED N#CCNCc1cn(C2CN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C2)nn1 1105308616 RUGUHUVSQXOUAV-ITGUQSILSA-N 302.338 -0.833 30 20 DBED Cn1nccc1C(=O)NC[C@@H](O)CNc1nccnc1C#N 1105738824 BEZSZZBIHQMNCH-VIFPVBQESA-N 301.310 -0.715 30 20 DBED CCC(=O)NCC(=O)NC[C@H](O)CN=c1cc(C)[nH]cc1C#N 1105771800 TWQONVOFJWEDEH-GFCCVEGCSA-N 319.365 -0.901 30 20 DBED CC[C@H](C(=O)NC[C@H](O)CNc1ccc(C#N)nn1)N(C)C 1105926421 UVFVCHXIULFDTF-VXGBXAGGSA-N 306.370 -0.423 30 20 DBED Cc1ncn(C)c1C(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1 1105999166 LRVBULNAZRSKIS-SNVBAGLBSA-N 315.337 -0.985 30 20 DBED CN(C)CC1(C(=O)NC[C@H](O)CN=c2cc[nH]c(C#N)n2)CC1 1106100746 WTOUMYYBMSEEOD-LLVKDONJSA-N 318.381 -0.999 30 20 DBED CN1CC[C@@H](C(=O)NC/C=C\CN=c2cc[nH]c(C#N)n2)C1 1107200847 VMHCZTDLXDYGHZ-ZZKXABKFSA-N 300.366 -0.194 30 20 DBED C[C@H](CNc1nccnc1C#N)NC(=O)[C@H]1CCNC(=O)C1 1107687350 VPBHKWMQKGIBJA-ZJUUUORDSA-N 302.338 -0.209 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@]1(C)CN(Cc2cn(C)nn2)CCO1 1107821444 PASKUJQNBZHKBW-FZMZJTMJSA-N 306.370 -0.318 30 20 DBED C[C@@H](CN=c1cc[nH]cc1C#N)NC(=O)[C@H]1CN(C)CCO1 1108303822 ZOWFNIFMJQUKAI-SMDDNHRTSA-N 303.366 -0.378 30 20 DBED C[C@@H](CNc1cnc(C#N)cn1)NC(=O)[C@H]1CCCS1(=O)=O 1108405475 DPQVGXRGQWSPSK-GXSJLCMTSA-N 323.378 -0.158 30 20 DBED C[C@@H](CN=c1cc[nH]cc1C#N)NC(=O)c1cn(C)c(=O)n1C 1108411613 AZWFOIZNTOGCLY-JTQLQIEISA-N 314.349 -0.357 30 20 DBED CO[C@@H](C)CN1CC(N2C[C@@H](NC(=O)C#CC3CC3)CC2=O)C1 1108545486 WWNLNIKIDIUAJL-JSGCOSHPSA-N 319.405 -0.164 30 20 DBED Cc1cc(C#N)nc(N(C)C[C@H](C)NC(=O)[C@H](C)NC(N)=O)n1 1108915037 BYUOOXGYXYNZII-UWVGGRQHSA-N 319.369 -0.346 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H](NC(=O)[C@H]1CNC(=O)N1)C1CC1 1109963795 PIPDPOQZXSPMIZ-CHWSQXEVSA-N 314.349 -0.637 30 20 DBED CC(=O)NCC(=O)N1CC[C@H](N=c2cc[nH]c(C#N)n2)C[C@@H]1C 1110499075 GIOMRNTZAIBXNC-JQWIXIFHSA-N 316.365 -0.302 30 20 DBED CCCN(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1111309222 MEIQVEINPUVMPB-MCIONIFRSA-N 321.425 -0.311 30 20 DBED C#CCN1C[C@@H]2CCC[C@]2(NC(=O)CCNC(=O)COC)C1 1111769075 NQQBXJQTQPJGOJ-BBRMVZONSA-N 307.394 -0.257 30 20 DBED CSCC(=O)NC[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1O 1112697043 JNFKRMTXOWKBBG-NXEZZACHSA-N 307.379 -0.375 30 20 DBED C=CCOCC(=O)N1CCN(CCN(C)S(C)(=O)=O)CC1 1112708713 UDTWEHHDTJPNCI-UHFFFAOYSA-N 319.427 -0.775 30 20 DBED C#CCNC(=O)CC(=O)N1CCN([C@@H](C)C(=O)NCCC)CC1 1112779340 WFONAKXBAHADFP-ZDUSSCGKSA-N 322.409 -0.815 30 20 DBED C[C@H](NC(=O)CS(C)(=O)=O)[C@H](C)Nc1nccnc1C#N 1112926271 QXMXNVUXNTYZQD-IUCAKERBSA-N 311.367 -0.302 30 20 DBED C[C@H](NC(=O)CNC(=O)C1CC1)[C@@H](C)N=c1cc[nH]c(C#N)n1 1112962124 BWKQGKVLFCSGAN-ZJUUUORDSA-N 316.365 -0.399 30 20 DBED C[C@@H](C(=O)N(C)C)N1C[C@H]2[C@H](NC(=O)CSCC#N)[C@H]2C1 1113899821 VATZGILEQNBUGI-MEWQQHAOSA-N 310.423 -0.234 30 20 DBED C[C@H](C#N)C(=O)NC1[C@H]2CN(CC(=O)NCC(F)(F)F)C[C@H]12 1114063292 ANOKCYDPLBNACL-VGMNWLOBSA-N 318.299 -0.129 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1[C@@H]2CN(CC#CCOC)C[C@@H]21 1114421945 UCGNXIAFOBMZPQ-VVLHAWIVSA-N 315.417 -0.220 30 20 DBED COCCC(=O)N1CCO[C@H]([C@H](C)N=c2cc[nH]c(C#N)n2)C1 1114628044 HQZXZPPAWZNLOT-RYUDHWBXSA-N 319.365 -0.166 30 20 DBED CCOCC(=O)NCCOCCN(C)c1nccnc1C#N 1115175453 TVBJMSWXPUKKLW-UHFFFAOYSA-N 307.354 -0.046 30 20 DBED C[C@@H](CN(C)C(=O)[C@H]1CCC(=O)N1)Nc1cnc(C#N)cn1 1115656792 RDCPDBPSLXBANB-GXSJLCMTSA-N 302.338 -0.114 30 20 DBED COC(=O)Cn1cc(CCSc2nnc(CC#N)n2C)nn1 1116887110 WIRJESMYABQQDX-UHFFFAOYSA-N 321.366 -0.020 30 20 DBED C=CCN(CC=C)C(=O)C(=O)N[C@@H]1CCS(=O)(=O)[C@@H]1C 1119255879 GJDCVQUBLXILRV-GHMZBOCLSA-N 300.380 -0.121 30 20 DBED CCn1nncc1C(=O)NC[C@H](CO)Nc1cnc(C#N)cn1 1121472214 PIPQEKSRBPUWPE-SNVBAGLBSA-N 316.325 -0.838 30 20 DBED C=CCn1c(N2CC(=O)N(C)C[C@@H]2C)nnc1[C@](C)(O)COC 1121577643 WGZPGXZGSOGLDN-XHDPSFHLSA-N 323.397 -0.015 30 20 DBED C#CCOCCC(=O)NC[C@@H](CO)Nc1ncnc2[nH]cnc12 1122027203 GOAARMWWTPUGBK-JTQLQIEISA-N 318.337 -0.718 30 20 DBED C#CCOCCC(=O)NC[C@H](CO)Nc1ccc(C#N)nc1 1122029374 SMEJKXBFZWDDAI-CQSZACIVSA-N 302.334 -0.118 30 20 DBED CCC(=O)NCC(=O)N(C)C[C@@H](O)CNc1ncccc1C#N 1124184161 FIJXIBXJGGQTIT-LBPRGKRZSA-N 319.365 -0.289 30 20 DBED CN(C[C@@H](O)CNc1cncc(C#N)n1)C(=O)Cc1ccon1 1124199909 HYRUWGUOHSRMSQ-LBPRGKRZSA-N 316.321 -0.190 30 20 DBED C#CCNC(=O)CC(=O)NCCN[C@H](C)C(=O)N(CC)CC 1125997599 BMGWBPCMEOGNGB-GFCCVEGCSA-N 310.398 -0.911 30 20 DBED C=CCCO[C@@H](C)C(=O)N1C[C@H](n2ccnn2)[C@H](NCCO)C1 1129656275 NILWTXILUISOCC-MJBXVCDLSA-N 323.397 -0.407 30 20 DBED N#CCN1CC[C@H](c2n[nH]cc2CNC(=O)Cn2cnnn2)C1 1130342300 FOSVLGNKUHUANF-JTQLQIEISA-N 315.341 -0.975 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CC[C@H](C)N(CC(=O)N(C)C)C1 1131979853 CHQDWRSJFAEKHU-STQMWFEESA-N 322.409 -0.817 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)CC(=O)N(C)C)CC[C@H]1C 1132345684 RTKNUYZGUDGPDA-OLZOCXBDSA-N 322.409 -0.817 30 20 DBED CCS(=O)(=O)N(C)CC(=O)N[C@@H]1CC[C@H](C)N(CC#N)C1 1132393201 XPMYBSNCJBMQTF-NWDGAFQWSA-N 316.427 -0.239 30 20 DBED C#CCNC[C@H]1CN(C(=O)CCn2ncn(C)c2=O)CC[C@H]1C 1132996523 BWXFAEAVOHOPJD-KGLIPLIRSA-N 319.409 -0.321 30 20 DBED C=CCCCC(=O)NCCNCC(=O)NCC(=O)N1CCCC1 1133157746 OKGIIVAEXHHHIN-UHFFFAOYSA-N 324.425 -0.213 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1cc(C(F)F)[nH]n1 1133667232 BHVGHDUCWPZDIS-MRVPVSSYSA-N 313.308 -0.195 30 20 DBED C[C@@H](C[C@H](C)NC(=O)C#CC1CC1)NCc1nc(=O)n(C)[nH]1 1134325878 JPNGHBIATZSNLD-QWRGUYRKSA-N 305.382 -0.105 30 20 DBED C=CCn1cc(C(=O)NCCNCCNC(=O)NC(C)C)nn1 1134970030 OOQLEWAJLVNKJW-UHFFFAOYSA-N 323.401 -0.509 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)Cc1cncn1C 1147900859 XDKPZJMXGCIKQT-UHFFFAOYSA-N 320.397 -0.569 30 20 DBED COCC#CCN1CCC2(C1)CN(C(=O)[C@]1(C)CCNC1=O)C2 1148278199 UJFBQGXRHQYLQV-MRXNPFEDSA-N 319.405 -0.303 30 20 DBED CO[C@@H](C(=O)NCCNCC(=O)NCC#N)c1ccccc1 1148460851 BYQOEEFNSYWOJO-CQSZACIVSA-N 304.350 -0.280 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1ccn(C(C)C)n1 1167494646 VCFMDIJEPXKFTC-UHFFFAOYSA-N 305.382 -0.077 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@H](C)OCCOC 1167546777 NETCCJWLNYEMTL-LBPRGKRZSA-N 301.387 -0.564 30 20 DBED COCC#CCNCCCC[C@@H](C)NC(=O)[C@@H]1CN(C)C(=O)N1 1174693959 GAUYUKRIFLTSQM-KGLIPLIRSA-N 324.425 -0.076 30 20 DBED C#CCNC(=O)CNCCCC[C@@H](C)NC(=O)[C@@H]1CCN(C)C1 1176563951 IMIPBZWQQUQPCZ-HUUCEWRRSA-N 322.453 -0.048 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)CC(=O)NCC)[C@H]1C 1178513068 YQSTUEAUADCVKZ-AGIUHOORSA-N 322.409 -0.771 30 20 DBED C[C@@H]1OCCO[C@@H]1C(=O)N1CC[C@H](NCC(=O)NCC#N)[C@@H]1C 1178921220 CXSYDKPMWYHFJM-MNXVOIDGSA-N 324.381 -0.991 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)c2cccnn2)[C@H]1C 1179774698 CXQYFXPNIAMBSN-RYUDHWBXSA-N 303.366 -0.029 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](C)[C@](C)(CNCC(=O)NC(N)=O)C1 1181460581 OJPWXTXNYRDDMM-MLGOLLRUSA-N 322.409 -0.085 30 20 DBED CCN(CCC#N)C(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CCOC2)C1 1181469307 KYUYAEKEFJNWCP-ZIAGYGMSSA-N 322.409 -0.024 30 20 DBED Cc1cc(CC(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)n[nH]1 1181951162 ZQWWSVNNGDETDZ-LLVKDONJSA-N 304.354 -0.909 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2ccnc(O)c2)C1 1181980357 WIPQNJZZRXIDEJ-WCQYABFASA-N 316.361 -0.271 30 20 DBED CC(C)n1ncnc1CN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)C#N)C1 1191855059 VRZJQOVCVBIROR-QJPTWQEYSA-N 306.370 -0.320 30 20 DBED CN(CC#N)[C@@H]1CCN(C(=O)C(C)(C)NS(C)(=O)=O)C1 1192750341 XZUZQJDJAZNVCC-SNVBAGLBSA-N 302.400 -0.630 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)Cc2[nH]cnc2C)C1 1193697316 YAKMLXWNSZUSQD-CYBMUJFWSA-N 317.393 -0.457 30 20 DBED C#CCCN(C)[C@H]1CCN(C(=O)CCCN2C(=O)CNC2=O)C1 1193940331 IHEITYWIXHFUPB-ZDUSSCGKSA-N 320.393 -0.126 30 20 DBED CS(=O)(=O)NCCN1CCCN(C(=O)C#CC2CC2)CC1 1195755042 VRUDNSKMYIJSIC-UHFFFAOYSA-N 313.423 -0.517 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC(NCc2cnn(C)n2)CC1 1200532468 RKCQEZFCUKYAOR-LBPRGKRZSA-N 305.382 -0.066 30 20 DBED C#CCNC[C@@H]1CN(C(=O)[C@H]2CCc3nn[nH]c3C2)CCCO1 1201849919 ZYAKHVQDCKRJNC-QWHCGFSZSA-N 317.393 -0.250 30 20 DBED C=CCOCC(=O)N1CCC[C@H](N[C@@H](C)C(=O)NC(N)=O)C1 1207680229 KQWIGLXOHQYYSZ-QWRGUYRKSA-N 312.370 -0.647 30 20 DBED CC#CCN1C[C@@H](NC(=O)CNC(=O)[C@H](C)CC)[C@H](OC)C1 1213871631 ACDUGMNJJIJMQJ-MGPQQGTHSA-N 309.410 -0.013 30 20 DBED C=CCCOCC(=O)N1C[C@@H](N[C@@H]2CCC(=O)NC2=O)[C@H](C)C1 1216919268 PNAHBJZCDPZIHL-JHJVBQTASA-N 323.393 -0.179 30 20 DBED C=CCOCC(=O)N[C@@H]1CN([C@H](C)c2noc(C)n2)C[C@@H]1O 1219364084 XGXXZSJEEMJJRX-JLLWLGSASA-N 310.354 -0.197 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(CC2CCOCC2)C[C@@H]1O 1219607597 TXYGPRIYEKGDBQ-CFVMTHIKSA-N 310.394 -0.387 30 20 DBED C=CCC[C@H](C)N1C[C@H](O)[C@H](NC(=O)c2nnc(O)nc2O)C1 1219947256 AFKPVWBKDUDSJB-AEJSXWLSSA-N 323.353 -0.588 30 20 DBED C=CCN1CC[C@@H]2CCN(C(=O)CS(=O)(=O)N(C)C)C[C@@H]21 1224036138 DKEAVZMWTJYJNV-OLZOCXBDSA-N 315.439 -0.013 30 20 DBED C#CCNC(=O)CC(=O)NC1CCN(Cc2nncn2C)CC1 1226961543 HKTMODLYQXUIJJ-UHFFFAOYSA-N 318.381 -0.965 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CCCC(N)=O 1230361000 AIQPNXBQFWWPEL-CHWSQXEVSA-N 324.425 -0.039 30 20 DBED C=CCCCN1CCS(=O)(=O)[C@@H](CCNC(=O)C(N)=O)C1 1230495175 YAFFDSXJZMVMJB-NSHDSACASA-N 317.411 -0.957 30 20 DBED C#CCNC(=O)[C@H](C)N(C)CCCNC(=O)c1cc(C)nn1C 1234602466 KKAQHPCIXJQMHO-ZDUSSCGKSA-N 319.409 -0.082 30 20 DBED N#CCN1CCC(NC(=O)C(=O)N2CC[C@@](F)(C#N)C2)CC1 1258234950 NHJUOHJGROWRLG-CQSZACIVSA-N 307.329 -0.445 30 20 DBED C#CCOCCn1nnnc1N1CCC[C@H](C2OCCO2)C1 1262445361 UVSYOPBPAHTXOQ-LBPRGKRZSA-N 307.354 -0.088 30 20 DBED C#CCN(C)c1nnnn1Cc1cccc(OCC(=O)NC)c1 1262462213 JDNCMYBMHASSBD-UHFFFAOYSA-N 314.349 -0.084 30 20 DBED C#CCCNC[C@H]1CCCN1C(=O)COCc1nncn1C 1319122832 QFGRWMPYPDPGPG-CYBMUJFWSA-N 305.382 -0.064 30 20 DBED CCn1cc([C@H]2C[S@@](=O)CCN2CC(=O)NCC#N)cn1 1320719169 RAIACKWUCJSVBF-GTJPDFRWSA-N 309.395 -0.352 30 20 DBED N#C[C@@]1(F)CCN(C(=O)C(=O)NCCOC[C@H]2CCOC2)C1 1322813311 YRGHSYWJSIDIIZ-FZMZJTMJSA-N 313.329 -0.380 30 20 DBED N#CCNC(=O)CNC(=O)N1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 1323174080 KIARBUMRQDVTDJ-RKDXNWHRSA-N 322.287 -0.172 30 20 DBED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NCCn1cncn1 1323174907 OUZSIQUJQBLCTM-NWDGAFQWSA-N 307.354 -0.508 30 20 DBED Cn1nnc(CNC(=O)C(=O)NCC2CCC(C#N)CC2)n1 1323686980 YWTJJWJLZMMDHF-UHFFFAOYSA-N 305.342 -0.728 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)NCc1cccc(C(N)=O)c1 1325559230 PAIHDSZLDJYQDG-UHFFFAOYSA-N 311.341 -0.113 30 20 DBED C=CCNC(=O)CNC(=O)c1nnn(Cc2cc(C)no2)c1C 1326315403 RQLLXICNQNEKEE-UHFFFAOYSA-N 318.337 -0.037 30 20 DBED CC(C)C[C@H](CCO)CNC(=O)C(=O)N1CCO[C@H](C#N)C1 1327211646 PYCRJEOCRDZMHM-QWHCGFSZSA-N 311.382 -0.102 30 20 DBED C#C[C@@H](NC(=O)C(=O)NCc1nnc(C)s1)[C@H]1CCCO1 1327228277 XSCAXGVRIRVONG-NXEZZACHSA-N 308.363 -0.240 30 20 DBED C=CCn1cc(CNC(=O)C(=O)NC[C@@H]2CCCCN2)nn1 1327962347 USMHHHKQQXMQFG-NSHDSACASA-N 306.370 -0.661 30 20 DBED CN1CCC[C@@H](NC(=O)C(=O)Nc2cccc(C#N)n2)C1=O 1329009800 WAHYOKLJSOMJDD-SNVBAGLBSA-N 301.306 -0.371 30 20 DBED C=C(C)CN(C)C(=O)C(=O)N1CCN(c2nc(N)ns2)CC1 1331377678 AFEFKHNQXNNTNH-UHFFFAOYSA-N 324.410 -0.197 30 20 DBED CNC(=O)C1CCC(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)CC1 1341028998 KHYXCTRYDDAVQJ-MCIGGMRASA-N 322.365 -0.842 30 20 DBED C#CCN1CCN(c2nnc(CN3CCC(O)CC3)n2C)CC1 1341667888 FQEIHXNCVDFONA-UHFFFAOYSA-N 318.425 -0.473 30 20 DBED CCn1nc(C)c(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)n1 1343916238 LWPMWPTTZSMBGK-OWBHPGMISA-N 318.337 -0.137 30 20 DBED CC(=O)NC1CCN(C(=O)C(=O)N2CCC[C@H](C#N)C2)CC1 1356236409 PPQIAHPFCQVCRL-GFCCVEGCSA-N 306.366 -0.124 30 20 DBED CCN1CCN(CC(=O)[C@H](C#N)c2nccn2C)C(=O)C1=O 1356579084 WQDLELGRTRELDI-JTQLQIEISA-N 303.322 -0.713 30 20 DBED CCn1cc(CNC(=O)Cn2cc(C#N)c(O)nc2=O)cn1 1362441667 UFBJWBPHWMQZNB-UHFFFAOYSA-N 302.294 -0.647 30 20 DBED CC(=O)N1CCC(NC(=O)CN2CC[C@](O)(CC#N)C2)CC1 1364456982 RACKUNXKDQTROI-OAHLLOKOSA-N 308.382 -0.536 30 20 DBED C[C@H](NC(=O)CSc1nnc(CC#N)n1C)C(=O)N(C)C 1365257192 CRLQVLCEHSDZKP-QMMMGPOBSA-N 310.383 -0.434 30 20 DBED CN(CCNC(=O)C[C@H]1CCC(=O)N1)c1ccnc(C#N)n1 1374793720 UYTJEUNVPPVMDC-SNVBAGLBSA-N 302.338 -0.431 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNCc1ccc2nonc2c1 1379182824 GJJRNDIPXKEQKC-KOLCDFICSA-N 303.322 -0.051 30 20 DBED CC(C)c1cc(C(=O)NC[C@@H](O)CNC(=O)[C@H](C)C#N)n[nH]1 1392157481 HNFNIYQDEHHOMN-ZJUUUORDSA-N 307.354 -0.100 30 20 DBED C=C(Cl)CN[C@H](C)CNC(=O)c1cn(C)c(=O)nc1O 1399108620 OUUVAOCFZMXJNI-MRVPVSSYSA-N 300.746 -0.054 30 20 DBED CCN(CCNC(=O)[C@H](C)C#N)[C@@H](C)C(=O)NC(=O)NC1CC1 1399695089 VXAXHRUFKYXWAX-MNOVXSKESA-N 323.397 -0.039 30 20 DBED COc1cccc(C(=O)NC[C@H](O)CNC(=O)[C@H](C)C#N)n1 1399871113 NQBDRXPMVRLRBF-NXEZZACHSA-N 306.322 -0.543 30 20 DBED COCCN(CCNC(=O)[C@H]1CC(=O)N(C)C1)C(=O)[C@@H](C)C#N 1405761905 VFTLCLNWOLKCJE-RYUDHWBXSA-N 324.381 -0.784 30 20 DBED C[C@@H](CNC(=O)C(C)(C)NS(C)(=O)=O)NC(=O)[C@H](C)C#N 1408180534 YDQHABINAZWWLG-BDAKNGLRSA-N 318.399 -0.905 30 20 DBED CCN(CCNC(=O)[C@@H](C)C#N)C(=O)[C@@H]1CCN(C)C(=O)C1 1415720545 NMICEURNEGYEBU-NWDGAFQWSA-N 308.382 -0.021 30 20 DBED C[C@H](C#N)C(=O)NC1CN(C(=O)[C@@H]2CCCCN2C(N)=O)C1 1416047179 PERQNQDXBIUBHE-KOLCDFICSA-N 307.354 -0.594 30 20 DBED C[C@@H](CNC(=O)[C@@H](C)C#N)NC(=O)C1CCS(=O)(=O)CC1 1416950216 DTEADXDMTVSFFS-UWVGGRQHSA-N 315.395 -0.408 30 20 DBED Cn1nncc1C(=O)NCC1(NC(=O)c2c[nH]c(C#N)c2)CC1 1417131852 NGJVZILTDGMPMI-UHFFFAOYSA-N 313.321 -0.293 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)C2CCOCC2)C1 1417437164 XIUBRERSURCRKW-XHDPSFHLSA-N 309.366 -0.348 30 20 DBED C[C@H](O)C(=O)N1CCN(C(=O)CNc2ccc(C#N)cn2)CC1 1433872926 BIGVIPUEDMCGOF-NSHDSACASA-N 317.349 -0.583 30 20 DBED C[C@H](CN(C)C(=O)c1cnnn1C)NC(=O)c1c[nH]c(C#N)c1 1443793775 VQZQJFSDMCJPBQ-SECBINFHSA-N 315.337 -0.095 30 20 DBED C[C@H](CNC(=O)c1ccc(C#N)[nH]1)CNC(=O)[C@@H]1COCCO1 1451511579 WWYVGPWDXKIALK-MFKMUULPSA-N 320.349 -0.216 30 20 DBED COC[C@@H](C)[C@@H](C)C(=O)NCCn1cc(C#N)c(O)nc1=O 1453843182 NGRBZJRYZZQXHS-NXEZZACHSA-N 308.338 -0.145 30 20 DBED N#Cc1cn(CCC(=O)NCCc2cc[nH]n2)c(=O)nc1O 1455310892 NAHVPEKQPSCNLW-UHFFFAOYSA-N 302.294 -0.707 30 20 DBED CCCN1C[C@H](C(=O)N2CC(NC(=O)[C@@H](C)C#N)C2)CC1=O 1456399791 VXUYEEXNCWFMJO-WDEREUQCSA-N 306.366 -0.268 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@H]1CCCN1C(=O)c1nonc1C 1483958950 WEANKDNEDYHNBT-VXGBXAGGSA-N 319.365 -0.290 30 20 DBED CNC(=O)NCCC(=O)N[C@@](C)(CNC(=O)[C@H](C)C#N)C1CC1 1499629069 KQNQICJZSPDNMU-BMIGLBTASA-N 323.397 -0.134 30 20 DBED CC[C@H]1CN(c2[nH]c(=O)n(C)c(=O)c2C#N)C[C@]1(F)C(=O)O 1573826145 NCCQGNPQMLZWGD-WPPNPWJKSA-N 310.285 -0.416 30 20 DBED C#CCN(C)c1nnc([C@H]2COCCN2)n1C[C@@H](C)N(C)C 1574615039 RLIIKTCFIZIEMQ-CHWSQXEVSA-N 306.414 -0.042 30 20 DBED C#CC1CCN(C(=O)[C@@H](C)n2cnc(-c3nn[nH]n3)n2)CC1 1588330501 FMISTAKECBGHBA-SECBINFHSA-N 300.326 -0.109 30 20 DBED C=CC[C@@H](CO)NS(=O)(=O)c1cncc(-c2nn[nH]n2)c1 1588545233 BFEYQHWZPYQALS-VIFPVBQESA-N 310.339 -0.523 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@H]1C[C@@H](N=c2cc[nH]c(C(=O)O)n2)C1 1588684377 PMZHBOAMIKUSOK-HFBDOXOYSA-N 320.349 -0.017 30 20 DBED N#Cc1ccc(NC(=O)C(=O)NCCOCC(=O)O)c(F)c1 1608206264 SGQOBXBVDXGHOW-UHFFFAOYSA-N 309.253 -0.147 30 20 DBED N#Cc1nc(NC(=O)[C@H]2CC23CCNCC3)[nH]c1-c1nn[nH]n1 1609496567 UXGUFGGBMDSFTL-SSDOTTSWSA-N 313.325 -0.210 30 20 DBED O=C(COc1ccccc1-c1nn[nH]n1)N[C@H]1CCN(O)C1=O 1609532767 WJAVANSOSICCIQ-VIFPVBQESA-N 318.293 -0.648 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H]1CCCN(CC(=O)NC2CC2)C1 1713789504 ZNCOBGHYZGXPNQ-OCCSQVGLSA-N 307.394 -0.116 30 20 DBED C#CCNC(=O)CNC[C@H]1CCCN(C(=O)[C@@H](OC)C2CC2)C1 1752796543 OVQHDFHOKXSVKM-CJNGLKHVSA-N 321.421 -0.011 30 20 DBED Cc1cn(C)nc1C(=O)NC[C@H]1CCCN1CC(=O)NCC#N 1753104213 FGTOSZFOLODPTK-GFCCVEGCSA-N 318.381 -0.438 30 20 DBED CCCN(CC#CCOC)CCNC(=O)[C@@H]1CC[C@@H]1C(N)=O 1753146480 XDIMSKXPLWKSRI-UONOGXRCSA-N 309.410 -0.024 30 20 DBED C=CCCCN1CCO[C@H](CNC(=O)C[C@H]2CC(=O)NC2=O)C1 1753657871 ITNPMJDWEGWEMA-QWHCGFSZSA-N 323.393 -0.178 30 20 DBED CC#CCNC[C@@H](C)N(C)C(=O)[C@@H](C)NS(=O)(=O)CC 1753692015 HVURLDWVAGMJOI-VXGBXAGGSA-N 303.428 -0.226 30 20 DBED CC(C)[C@H](CNC(=O)[C@@H](C)n1cncn1)NCC(=O)NCC#N 1753831016 ZURKHMQSBNALMS-NEPJUHHUSA-N 321.385 -0.791 30 20 DBED C#CCCCC(=O)N1CC[C@@H]2[C@@H](CCN2CC(=O)NC(N)=O)C1 1753873232 VFIRMGOCHJLHRB-QWHCGFSZSA-N 320.393 -0.092 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCC[C@H]1CNCc1nnn(C)n1 1753884383 HRUUBKPMKQYJHT-QWHCGFSZSA-N 320.397 -0.376 30 20 DBED COCC#CCN1CC[C@@](O)(CNC(=O)c2nccc(C)n2)C1 1754748442 IWGFSSTWHOFCBJ-MRXNPFEDSA-N 318.377 -0.399 30 20 DBED C#CCN1CC[C@](O)(CNC(=O)c2cn(C)nc2COC)C1 1754752697 NZEZQPWDOTZCBK-HNNXBMFYSA-N 306.366 -0.634 30 20 DBED C=CCNC(=O)CN1CC[C@](O)(CNC(=O)c2ccns2)C1 1754754749 QTSDOLNVVKYFGE-AWEZNQCLSA-N 324.406 -0.388 30 20 DBED C#CCNC(=O)CN[C@H](C)[C@@H](C)NC(=O)c1cnnn1CC 1755234108 LRAJADITEAYAFE-GHMZBOCLSA-N 306.370 -0.856 30 20 DBED Cc1cc(C(=O)N[C@H](C)[C@@H](C)NCC(=O)NCC#N)cnn1 1755234656 SFIVRTAZRGPYKA-GHMZBOCLSA-N 304.354 -0.479 30 20 DBED C#CCOCCC(=O)N(C)C[C@@H](C)N[C@@H](C)C(=O)NC(N)=O 1755587038 VBKZBGPRCYERGV-MNOVXSKESA-N 312.370 -0.954 30 20 DBED C=C(C)CCN[C@@H](CO)CNC(=O)[C@H]1CCS(=O)(=O)C1 1755633146 OORHXOGASSMFIC-NWDGAFQWSA-N 304.412 -0.546 30 20 DBED C#CCN[C@H]1C[C@H](C)N(C(=O)CS(=O)(=O)NC(C)(C)C)C1 1755694925 XFLIMIGGTVPSAS-RYUDHWBXSA-N 315.439 -0.084 30 20 DBED CN(C[C@@H](O)CNCC#N)C(=O)CCNC(=O)c1ccco1 1755795540 HEUMGBPEPXTCGU-NSHDSACASA-N 308.338 -0.668 30 20 DBED CN(CC(=O)NCC#N)C[C@@H](O)CN(C)C(=O)[C@@H]1C[C@@H]2C[C@@H]2C1 1755805052 SQSGXKTZSZRGNY-ZOBORPQBSA-N 322.409 -0.577 30 20 DBED C[C@H](NC(=O)CSCC#N)[C@@H](C)NC(=O)CCn1cncn1 1755951126 JVKIZMDIPWIKMS-MNOVXSKESA-N 324.410 -0.066 30 20 DBED C=C(C)C(C)(C)C(=O)N[C@@H](CO)CNC(=O)c1nccnc1N 1756509519 QSADCFMCHPPMLF-SNVBAGLBSA-N 321.381 -0.132 30 20 DBED C=CCCC(=O)NC[C@H](CO)NC(=O)[C@H]1CC(=O)N(CC)C1 1756518599 KEBYUINSRWMLHK-NWDGAFQWSA-N 311.382 -0.586 30 20 DBED C=CCCCC(=O)N[C@H](CO)CNC(=O)[C@@H]1CCCNC1=O 1756528014 MKFLFADXAUJPKH-NWDGAFQWSA-N 311.382 -0.538 30 20 DBED C=C1CC(C)(C(=O)NC[C@@H](CO)NC(=O)Cn2ccnc2)C1 1756547957 GWJYGKXQHBDRAM-LBPRGKRZSA-N 306.366 -0.167 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1C[C@H](C)N(C(=O)CCOC)C1 1756574017 FYGJSTNOJDIEIJ-NWDGAFQWSA-N 309.366 -0.732 30 20 DBED Cc1c[nH]nc1C(=O)N1C[C@H](O)[C@H](NC(=O)CSCC#N)C1 1757155452 HHQPFNOLENFYDL-ZJUUUORDSA-N 323.378 -0.724 30 20 DBED C[C@H](NC=O)C(=O)N1CC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1781246127 XZNSPFNZAZRJCD-WFASDCNBSA-N 322.365 -0.745 30 20 DBED C/C=C/C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1783064257 FPHOJEQSHCSNIO-XYBNCVKDSA-N 306.318 -0.520 30 20 DBED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc[nH]n3)C[C@@H]21 1790789907 QKKFKJHNBHMLLG-GVXVVHGQSA-N 302.334 -0.364 30 20 DBED COc1ccc(/C(N)=N\OCc2cc(=O)n(C)c(=O)n2C)cc1 60881431 GVGSZQIQUHHDGG-UHFFFAOYSA-N 318.333 -0.070 30 20 DBED N#Cc1ccccc1CS(=O)(=O)N[C@H](CC(=O)O)C(=O)O 166502935 ANUIMMPSKYFVIU-SNVBAGLBSA-N 312.303 -0.094 30 20 DBED Cn1c(NCCN2CCOCC2(C)C)c(C#N)c(=O)n(C)c1=O 170869511 PEUWBQOXZQQVDS-UHFFFAOYSA-N 321.381 -0.522 30 20 DBED C#CCSCCNC(=O)NCCN1CCCS1(=O)=O 265739690 DQFGBICSSHJIBM-UHFFFAOYSA-N 305.425 -0.313 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCCn2cccc2)C1=O 267227993 PANCBTVRSDKRQS-UHFFFAOYSA-N 304.306 -0.419 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)Nc1ccn(CCC(N)=O)n1 271043677 STDAKUZSEGGLAI-SECBINFHSA-N 308.342 -0.429 30 20 DBED C=CCNC(=O)CNC(=O)CN(C)c1ncnc2nc[nH]c12 271980596 MTIMSGQIVLMOPC-UHFFFAOYSA-N 303.326 -0.793 30 20 DBED C[C@H]1C(=O)NCCCN1CC#CCN1CCCNC(=O)[C@@H]1C 284148073 PFBWGSIUFQNTLW-KBPBESRZSA-N 306.410 -0.589 30 20 DBED C#CCN(CC#C)C(=O)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1 287685090 LPHHXWWWQKFCRO-UONOGXRCSA-N 304.346 -0.512 30 20 DBED C#CCONC(=O)c1cccc(S(=O)(=O)NCCOC)c1 291307715 RJPZZJIKKPBVND-UHFFFAOYSA-N 312.347 -0.094 30 20 DBED C#CCN(C)CCCNC(=O)C(=O)Nc1c2c(nn1C)CCC2 293476072 VGHDVDKVYKGAEK-UHFFFAOYSA-N 317.393 -0.081 30 20 DBED C=CCN(C(=O)CN1CSCC1=O)[C@H]1CCS(=O)(=O)C1 299155906 MVUQOTHABIKRRI-JTQLQIEISA-N 318.420 -0.279 30 20 DBED N#Cc1cncc(S(=O)(=O)N2CCN([C@@H]3CCNC3)CC2)c1 320582957 NOPMVLYKWQHQRQ-CYBMUJFWSA-N 321.406 -0.379 30 20 DBED CN1C(=O)[C@]2(CCN(C/C(O)=N/C[C@@H]3CCCO3)C2)N=C1O 329040133 DHHPROPUFCYVSG-IINYFYTJSA-N 310.354 -0.048 30 20 DBED C[C@H]1[C@@H](C)N(/C(O)=N/C[C@H]2COCCO2)CCS1(=O)=O 329614497 RZALWEYKPYPQGU-VWYCJHECSA-N 306.384 -0.177 30 20 DBED Cn1c(=O)ccn(C/C(O)=N/CCN2C(=O)CCCC2=O)c1=O 329834549 UPKJOXPTAMTXPE-UHFFFAOYSA-N 322.321 -0.957 30 20 DBED N#Cc1ncn(CC(=O)N2CCO[C@@H](COCC3CC3)C2)n1 330123705 AVDRDCBYYBUSAD-GFCCVEGCSA-N 305.338 -0.196 30 20 DBED CCCS(=O)(=O)N1CCC(NC(=O)CN/C(O)=N/C)CC1 330498511 BJHRSCLOPNLOSV-UHFFFAOYSA-N 320.415 -0.560 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@H]1CCCN(C)C1=O 337076846 SMUXJSAWNQZLGX-QWRGUYRKSA-N 302.400 -0.077 30 20 DBED CO[C@]1(C)CCCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)C1 337192023 SXLQUZYYDNXQNQ-NWDGAFQWSA-N 303.384 -0.044 30 20 DBED CN(C)C(=O)[C@@H]1CC[C@@H](CNS(=O)(=O)CCCC#N)O1 341208740 ZLUVNNFASREIME-QWRGUYRKSA-N 303.384 -0.155 30 20 DBED C=CCN(C)S(=O)(=O)CCCS(=O)(=O)Nc1nc[nH]n1 349529542 AJRSIPVAYHWFQU-UHFFFAOYSA-N 323.400 -0.616 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N(C)CCNC(=O)N(C)C 352327700 CFDXTEHIYYPJBJ-JTQLQIEISA-N 305.404 -0.332 30 20 DBED Cc1cc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)n[nH]1 352455098 XJSRYTXKVOHRKK-UHFFFAOYSA-N 319.346 0.507 30 20 DBED COC[C@@H](CO)NS(=O)(=O)c1ccc(C#N)cc1OC 352515751 SNHIFPZBMNFJBL-SNVBAGLBSA-N 300.336 -0.148 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@@H](N)C(F)(F)F)CC1 353460546 OZLPFHKFAGWCPY-SNVBAGLBSA-N 308.304 -0.678 30 20 DBED C[C@@H]([C@H](C)S(C)(=O)=O)N(C)S(=O)(=O)N(C)CCC#N 354545784 XXFQMCXNKCKUGA-UWVGGRQHSA-N 311.429 -0.170 30 20 DBED N#Cc1c(F)cccc1-n1ccc(NC(=O)NC[C@@H](O)CO)n1 359039459 NHYUABFRGLOHIC-SECBINFHSA-N 319.296 0.358 30 20 DBED N#C[C@H]1COCCN1C(=O)CCCC(=O)N1CCOC[C@@H]1C#N 362411936 WSVKPGMVZRLDAR-STQMWFEESA-N 320.349 -0.341 30 20 DBED COCCN1CCN(C(=O)C(=O)NCC(C)(C)CC#N)CC1 422492425 VWGUTMPMNFLVCS-UHFFFAOYSA-N 310.398 -0.167 30 20 DBED Cn1nnnc1-c1cccc(NC(=O)Cn2cnc(C#N)n2)c1 425948255 BMRJBHYVVHJBBO-UHFFFAOYSA-N 309.293 -0.021 30 20 DBED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N(C)CCC(=O)NC 430369109 IEXMSZFNHFCEOL-WCQYABFASA-N 311.382 -0.322 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@@]23CCNC3)CC1 444166124 JOUUVWWSTAJQQD-XJKSGUPXSA-N 306.410 -0.568 30 20 DBED COCCN(CC#N)C(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 457184582 SCONKSKEUNUQBB-AUZPSNTRSA-N 317.345 -0.208 30 20 DBED CN1CCN(C)[C@H](CNC(=O)C(=O)Nc2cccc(C#N)c2)C1 478734106 ALVFYAQGMVGTTG-CQSZACIVSA-N 315.377 -0.141 30 20 DBED C#CCN(CC)C(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C 490574182 IPELZSGZKVESDA-UHFFFAOYSA-N 302.334 -0.329 30 20 DBED C#CCN1CCN(C(=O)CN2CCN(CC3CC3)CC2)CC1 490760714 OQPNBTOZZLLUMT-UHFFFAOYSA-N 304.438 -0.209 30 20 DBED C#CCN1CCN(C(=O)Cn2cccc([N+](=O)[O-])c2=O)CC1 490764010 YUZASLBOKZRTML-UHFFFAOYSA-N 304.306 -0.466 30 20 DBED C#CCN1CCN(C(=O)CN[C@@H](COC)[C@H]2CCCO2)CC1 491567401 KVTMFBSZVSJATA-LSDHHAIUSA-N 309.410 -0.453 30 20 DBED N#CCCCOc1cccc(NC(=O)C(=O)NC[C@@H](O)CO)c1 527351456 PTRSHXOHQWXPFD-GFCCVEGCSA-N 321.333 -0.223 30 20 DBED COC(=O)CC[C@@H](NS(=O)(=O)N(C)C[C@H](C)C#N)C(=O)O 563224446 AMNNVPIQZXJGLO-RKDXNWHRSA-N 321.355 -0.681 30 20 DBED CC(C)(C#N)CCS(=O)(=O)N1CCN(S(C)(=O)=O)CC1 576669245 AFRCEJNSMPSHEF-UHFFFAOYSA-N 323.440 -0.167 30 20 DBED CNC(=O)N[C@H]1CCN(C[C@H]2CNc3c(C#N)cnn3C2)C1 581429780 BBRAJYSHGHQTRW-PWSUYJOCSA-N 303.370 -0.200 30 20 DBED C[C@@H](C#N)NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 604543767 GWBYHALIZOQAAW-VIFPVBQESA-N 313.335 -0.058 30 20 DBED C#CCN(C)CCCNC(=O)[C@H]1CCCN1S(C)(=O)=O 700584469 GEEKXPYFQCOHOP-GFCCVEGCSA-N 301.412 -0.518 30 20 DBED C=CCN(CC=C)C(=O)[C@@H](C)OC(=O)c1cn(CC(N)=O)nn1 745469219 TWGJPYYJWGYACX-SNVBAGLBSA-N 321.337 -0.491 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 753127658 NOTGSQDSPGWIBO-STQMWFEESA-N 313.423 -0.518 30 20 DBED C#CCOCCC(=O)OCC(=O)N1CCC(C(=O)OC)CC1 756310351 VABYXUXECRPUNK-UHFFFAOYSA-N 311.334 -0.019 30 20 DBED C[C@H]1CN(c2nccnc2C#N)CCN1CCS(N)(=O)=O 756908785 FYDYWFKNNPHQBP-JTQLQIEISA-N 310.383 -0.853 30 20 DBED C=CCNC(=O)CNC(=O)c1ccc(N2CCOCC2)nc1 777513473 GGPREXAUNFRQJR-UHFFFAOYSA-N 304.350 -0.050 30 20 DBED Cn1nnc(CON=C2C(=O)Nc3cc4c(cc32)OCCO4)n1 809992346 MCKLSJYTRRJGFY-UHFFFAOYSA-N 316.277 -0.146 30 20 DBED C#CC[C@@H](NC(=O)[C@@H]1CC(c2cn(C)nc2C)=NO1)C(=O)OC 822415016 CAXOJAWMHBMWKR-YPMHNXCESA-N 318.333 -0.097 30 20 DBED N#C[C@@H]1CNC[C@H]1NC(=O)CN1C(=O)NC2(CCCCC2)C1=O 834505475 LNYAEVLCNWSVOM-GHMZBOCLSA-N 319.365 -0.531 30 20 DBED C=C[C@H](O)C(=O)NCCc1csc(NC(=O)[C@H](O)C=C)n1 834659918 ITNXLUDUDVRPFW-VHSXEESVSA-N 311.363 -0.166 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCN(Cc2nc[nH]n2)CC1 846525555 PLRZRFCNEZORKD-ZDUSSCGKSA-N 302.382 -0.454 30 20 DBED C#C[C@H](NC(=O)C(=O)NC[C@@H]1CC(=O)N(CC)C1)[C@@H]1CCCO1 846737878 MTBPBJIQMVUEHD-AVGNSLFASA-N 321.377 -0.732 30 20 DBED CNC[C@@H](C)NC(=O)C(=O)NCCNc1ccc(C#N)cn1 851692406 WVDKBCFAYZOPEV-SNVBAGLBSA-N 304.354 -0.795 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)OCCOCCC)CC1 858941633 FYLXLWZXIZIHOX-UHFFFAOYSA-N 311.382 -0.083 30 20 DBED N#C[C@]1(NC(=O)CN2CCNC(=O)C2)CCc2ccccc2C1 907449383 CISAGMMAZWIBNV-KRWDZBQOSA-N 312.373 -0.014 30 20 DBED CS(=O)(=O)N1CC[C@@H](NC(=O)N2CCC[C@H](C#N)C2)C1 923071678 ZKXGLUCBCIGWSK-GHMZBOCLSA-N 300.384 -0.035 30 20 DBED CO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1NC(=O)C12CCN(CC1)C2 943608819 SDVLWKVAMBITCN-YNEHKIRRSA-N 320.393 -0.416 30 20 DBED CO[C@H](C)C(=O)N1CCO[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1 944558760 ULPNUWBEOCOVAH-ZYHUDNBSSA-N 320.349 -0.122 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(CC1)CN(C(=O)[C@H]1CNC(=O)N1)C2 945029653 ABUDOXZZHXMNNR-WDEREUQCSA-N 319.365 -0.722 30 20 DBED CC#CCN1CC[C@H](NC(=O)CN2CCOCC2=O)C[C@@H]1C 947399799 KYBMSLFWWHHPDN-KBPBESRZSA-N 307.394 -0.162 30 20 DBED C#CCN1CCC[C@H](N(C)C(=O)Cn2ccc(O)nc2=O)CC1 948590884 OHNJMJBLHJWNBZ-ZDUSSCGKSA-N 318.377 -0.105 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1cc[nH]n1 948901301 SSVJBGYPJMGCJB-JSGCOSHPSA-N 315.377 -0.162 30 20 DBED C=CCN1CC(N(CC)C(=O)c2cn(C)c(=O)n(C)c2=O)C1 952390021 PJIUXGCAJVEKAG-UHFFFAOYSA-N 306.366 -0.584 30 20 DBED N#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cc(C(F)(F)F)n[nH]2)C1 958486133 WRVIIOPDLWDFSS-IONNQARKSA-N 317.271 -0.025 30 20 DBED C=CCN1C[C@@H](O)[C@@H](CNC(=O)c2c(OC)ncnc2OC)C1 958759196 WCCWPVKJEOSUNY-WDEREUQCSA-N 322.365 -0.298 30 20 DBED C=C(C)CN1C[C@H]2[C@H](NC(=O)CN3C(=O)CN(C)C3=O)[C@H]2C1 962483610 MUINUYDEDJBGHE-YABSGUDNSA-N 306.366 -0.497 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)c1cnn(C)c1N 964154837 GNRNTRLZSFGTIX-NXEZZACHSA-N 320.353 -0.881 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C2CN(C(=O)c3ccon3)C2)CC1 967245818 VIKXPABBZNTIPX-LLVKDONJSA-N 317.349 -0.197 30 20 DBED N#Cc1ccc(CN[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)C2)s1 969766447 NFPGOEAYLGGXBX-SKDRFNHKSA-N 319.390 -0.008 30 20 DBED C#CCN(C)[C@H]1CCN(C(=O)[C@@H](Cn2cccn2)N(C)C)C1 971676171 CKNZCFAZHYPYEO-LSDHHAIUSA-N 303.410 -0.021 30 20 DBED C=CCn1cc(C(=O)N2C[C@H]3CC[C@H]2CN3CC(=O)NC)nn1 971899584 IOTQAXJMYDLVAL-NEPJUHHUSA-N 318.381 -0.501 30 20 DBED CN(CC#N)[C@H]1CCN(C(=O)[C@H]2CCc3nnnn3CC2)C1 972384885 PDMXQFGGRIHHDF-RYUDHWBXSA-N 303.370 -0.318 30 20 DBED C#CCN[C@@H]1CCC[C@H](NC(=O)CN2CCCS2(=O)=O)C1 981125078 QBPJXAKWZDBAQA-OLZOCXBDSA-N 313.423 -0.328 30 20 DBED CC#CCN1CCCN(C(=O)CN2CCN(C)C(=O)C2)CC1 981495256 QHPTYUXGTRQETL-UHFFFAOYSA-N 306.410 -0.682 30 20 DBED Cn1cc(C(=O)N[C@@H]2CCC[C@@H](NCC#N)C2)c(O)nc1=O 981519291 ZQEIVCCUUGKNOG-NXEZZACHSA-N 305.338 -0.360 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](CNC(=O)c2ccc(C(N)=O)[nH]2)C1 983210853 FXTQNULSSRGOCB-UWVGGRQHSA-N 317.349 -0.148 30 20 DBED O=C(N[C@H]1CCN(C(=O)C#CC2CC2)C[C@H]1O)c1cn[nH]c1 991304516 YWBFYGNCSUZABC-QWHCGFSZSA-N 302.334 -0.485 30 20 DBED C[C@H](C#N)C(=O)N1CC(NC(=O)[C@@H]2CN3CC4CC3(CO2)C4)C1 997055950 VLQHWAKORJQXRZ-YPPMETMDSA-N 318.377 -0.664 30 20 DBED Cn1cncc1C(=O)NCc1cn([C@@H]2CCN(CC#N)C2)nn1 1000002191 IFHNNAJYYOFJCA-GFCCVEGCSA-N 314.353 -0.288 30 20 DBED C#CCN1CC[C@H](n2cc(CNC(=O)c3nonc3C)nn2)C1 1000044502 WBZCTLWXKOMEEE-LBPRGKRZSA-N 315.337 -0.220 30 20 DBED C[C@@H](C#N)C(=O)N1CC(CNC(=O)c2cnc(N(C)C)cn2)C1 1002065815 FULQFUPDDOLWDY-JTQLQIEISA-N 316.365 -0.110 30 20 DBED C[C@H](C#N)C(=O)N1CC(CNC(=O)c2cnc3n2CCOC3)C1 1002870800 LQYLNUJJLPGKGZ-SNVBAGLBSA-N 317.349 -0.239 30 20 DBED N#CCN1CCC(NC(=O)[C@@H]2Cc3cncn3C(=O)N2)CC1 1003370281 SRRGNKSKFGSWSR-LBPRGKRZSA-N 302.338 -0.530 30 20 DBED C=C1CCC(C(=O)NCC2CN(C(=O)Cn3ncnn3)C2)CC1 1004118276 HMYPNQXUEKURKG-UHFFFAOYSA-N 318.381 -0.006 30 20 DBED NC(=O)CC(=O)N1CC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1007616113 XYOOFNZPEAABRP-MRXNPFEDSA-N 319.361 -0.895 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CCN([C@H]3CCCNC3=O)C2)[nH]1 1010647418 YVNDZHXGEGZCFJ-YPMHNXCESA-N 301.350 -0.031 30 20 DBED N#Cc1c[nH]c(C(=O)N2CCN(C(=O)Cc3nc[nH]n3)CC2)c1 1010925434 PAAJOHAVXRFRNX-UHFFFAOYSA-N 313.321 -0.468 30 20 DBED CN1CC[C@@H](C(=O)N2CCN(C(=O)C#CC3CC3)CC2)CC1=O 1011107617 JGAKRGANQVRYJA-CQSZACIVSA-N 317.389 -0.061 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C(=O)CCN2C(=O)CCC2=O)CC1 1011491919 WAMVCLQTCUDWFF-LLVKDONJSA-N 320.349 -0.644 30 20 DBED C=CCCN1CC[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C1 1014626240 FSDXRJAJFPPADW-LBPRGKRZSA-N 306.366 -0.686 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CCN(CCS(C)(=O)=O)C2)nc1 1016024871 SFGNVRAFOLRJBN-CYBMUJFWSA-N 321.402 -0.088 30 20 DBED Cc1nc(CC(=O)N2CC3(CCN(C(=O)[C@H](C)C#N)C3)C2)n[nH]1 1019009063 JSULIYPBPYLIND-SNVBAGLBSA-N 316.365 -0.124 30 20 DBED C#CCN1[C@H]2CC[C@H]1CC(NC(=O)[C@@H]1COCCN1C(C)=O)C2 1021464728 KJQUFTFPMLRIDE-JYJNAYRXSA-N 319.405 -0.022 30 20 DBED COCc1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2O)no1 1023757783 BRFRLJAUJIJWIO-XXILOJSOSA-N 322.321 -0.718 30 20 DBED CC#CCN1CCCC[C@@H]1CNC(=O)c1cn(CC(N)=O)nn1 1024813760 GKPLVTMWKLBRIZ-GFCCVEGCSA-N 318.381 -0.629 30 20 DBED COCCn1cc(C(=O)N2C[C@H]3[C@@H](NCC#N)CC[C@H]3C2)nn1 1026261881 BCKHFNHIRDVULH-XQQFMLRXSA-N 318.381 -0.112 30 20 DBED C#CCN[C@@H]1CC[C@@H]2CN(C(=O)Cn3c(O)nnc3O)C[C@@H]21 1026407294 MUXPQOJNQTZXST-OUAUKWLOSA-N 305.338 -0.851 30 20 DBED C=CCN(C)[C@H]1CCCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)C1 1027605194 VATXHKOYSGRUAU-NSHDSACASA-N 322.365 -0.484 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)[C@@H]3CCC(=O)N3C)C2)C1=O 1030804940 IMKBULBHDIADPO-STQMWFEESA-N 320.393 -0.806 30 20 DBED C#CCN1CC[C@H](N(CC)C(=O)C2CC3(C2)NC(=O)NC3=O)C1 1033984542 TZTJNBPUFLQCDK-BGMSHATGSA-N 318.377 -0.469 30 20 DBED C=CCN[C@H]1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)C[C@H]1C 1036204034 QNRUCEKWVAUYDP-YPMHNXCESA-N 320.393 -0.290 30 20 DBED Cn1cc(CC(=O)NCC2(O)CN(C(=O)C#CC3CC3)C2)cn1 1041952853 ZMFIYVLQYQTBEN-UHFFFAOYSA-N 316.361 -0.935 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCO[C@H]2C=C)C1 1042052193 FYMITMPGQJFATI-OLZOCXBDSA-N 324.377 -0.530 30 20 DBED CO[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1NC(=O)[C@H]1CCOC1 1042779605 RUJZNYBFUWEZHI-QJPTWQEYSA-N 317.349 -0.295 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)C2=CCOCC2)C1 1043033117 QXBNYCRBKLNKFD-UHFFFAOYSA-N 322.361 -0.938 30 20 DBED C=CCN1CC[C@@H](N2CC(N(C)C(=O)c3cncn3C)C2)C1=O 1043240480 SXTSUJBMRJYTEG-CYBMUJFWSA-N 317.393 -0.037 30 20 DBED C=C(C)CCC(=O)NCC1(O)CN(C(=O)CC(=O)NCC)C1 1043310100 CGRXNLLSWXYEPE-UHFFFAOYSA-N 311.382 -0.442 30 20 DBED CN1CCC[C@@H]1C(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@@H]1O 1043875750 PZMBWSXCZGWYLK-YUELXQCFSA-N 315.377 -0.287 30 20 DBED Cc1nc[nH]c1C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1044035558 VYXWKRVLLMKPDA-ZJUUUORDSA-N 313.321 -0.641 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(c3ncccn3)C[C@@H]2O)nc1 1044074430 ZEMAKJQWZWIHSI-KGLIPLIRSA-N 309.329 -0.168 30 20 DBED C=CCN[C@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)[C@@H](C)C1 1044608479 QWEOVVOGWRTDHL-QWRGUYRKSA-N 306.370 -0.468 30 20 DBED C#CCN1CC[C@@H](N2CCN(C(=O)CO[C@@H]3CCOC3)CC2)C1 1046027265 LRUHXFYUGVVMLH-HZPDHXFCSA-N 321.421 -0.356 30 20 DBED C#CCCN1CC[C@@H](N2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)C1 1046063521 QJNOPXPKRODFOP-KFWWJZLASA-N 318.421 -0.650 30 20 DBED Cn1nnc(CN2CC[C@@](C)(NC(=O)c3c[nH]c(C#N)c3)C2)n1 1046252639 FQXIZLQSSUNKPS-CQSZACIVSA-N 314.353 -0.196 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCN(C(C)=O)C2)C1 1047450042 OBOGNPAMVBADHD-JYJNAYRXSA-N 321.421 -0.228 30 20 DBED C=C(C)CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCN2C(N)=O)C1 1047648679 YIMGZCAPIPYUJT-IHRRRGAJSA-N 324.425 -0.001 30 20 DBED CCN(C)CCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C#CC2CC2)C1 1048825073 RTJMRQRZTBTPKI-GJZGRUSLSA-N 321.421 -0.228 30 20 DBED Cc1cnc(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)C#N)C2)cn1 1049388751 QCVDBTQNXDQAOT-ICCXJUOJSA-N 317.349 -0.412 30 20 DBED C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)CN1C(=O)CCC1=O 1049889747 RJPKUTGOYRTYCT-QWHCGFSZSA-N 303.362 -0.166 30 20 DBED C=CCN1C[C@@H]2CCCN(C(=O)CN3CCNC(=O)C3)[C@@H]2C1 1050110651 UIDNVDSYLJGPJD-UONOGXRCSA-N 306.410 -0.473 30 20 DBED CC(C)C#CC(=O)N[C@@H](C)[C@H]1CCN(C(=O)Cn2ncnn2)C1 1050809961 WNTLCNJKCNBDKM-STQMWFEESA-N 318.381 -0.314 30 20 DBED N#CCN1CCOC[C@H]1CNC(=O)c1nc[nH]c2nccc1-2 1051006082 JLWQVFMDFZIFSK-SNVBAGLBSA-N 300.322 -0.136 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)c1ccc(C(N)=O)s1 1051167796 YOOZBFANXVMPAN-JTQLQIEISA-N 307.375 -0.089 30 20 DBED CC#CCN1CCN([C@H]2CCN(C(=O)[C@H]3CCNC3=O)C2)CC1 1052059150 CSGMZDNLHVZZOH-GJZGRUSLSA-N 318.421 -0.636 30 20 DBED N#CCN1CCC[C@@H](NC(=O)C2CC3(C2)NC(=O)NC3=O)CC1 1052784121 NPKZDODKKHFTCF-LOIXOFCESA-N 319.365 -0.531 30 20 DBED N#CCN1CC2(CC[C@@H](CNC(=O)[C@H]3CCCNC3=O)O2)C1 1053613408 CVTVVTWJQUJXDF-RYUDHWBXSA-N 306.366 -0.614 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)C[C@H]3CCN(C)C3=O)CO2)C1 1053841094 ACZQGXSICXMVBI-CHWSQXEVSA-N 305.378 -0.553 30 20 DBED C=CCN[C@@H]1CN(C(=O)c2nc(C)n(-c3nc[nH]n3)n2)C[C@H]1C 1054955881 ZVZISZCQGNPHPA-MWLCHTKSSA-N 316.369 -0.070 30 20 DBED C=CCCC(=O)N1C[C@H]2CN(C(=O)Cn3cnnn3)C[C@H]2C1 1055158937 ALNMICGAFZEJMG-TXEJJXNPSA-N 304.354 -0.444 30 20 DBED CS(=O)(=O)CC(=O)N1CCN(c2ccc(C#N)nn2)CC1 1055734327 TZPAKXADUWLIQC-UHFFFAOYSA-N 309.351 -0.959 30 20 DBED C[C@@H](C(=O)N[C@H]1[C@@H]2CN(c3cncc(C#N)n3)C[C@@H]21)n1cncn1 1056169290 UDJJFPPOAZDHCP-PQFRYHKHSA-N 324.348 -0.248 30 20 DBED CCn1ncc(C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N)n1 1057502020 WPDPTQPFRHOCGX-JTQLQIEISA-N 308.342 -0.992 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)c1ccn(CC)n1 1057570714 VLJJVXLCMCAXNN-UHFFFAOYSA-N 324.381 -0.344 30 20 DBED C#CCOCCC(=O)N(CCO)CCNC(=O)c1cn(C)cn1 1057580298 BQBNPFDLILHWPE-UHFFFAOYSA-N 322.365 -0.989 30 20 DBED C#CCOCCC(=O)N(CCO)CCNC(=O)[C@H](F)CC 1057584967 SLANVBMUWQEYPF-GFCCVEGCSA-N 302.346 -0.289 30 20 DBED Cc1nnc(CC(=O)N[C@@H]2CCN(c3cnc(C#N)cn3)C2)o1 1058347434 URZYMUSMIMYPAD-SNVBAGLBSA-N 313.321 -0.023 30 20 DBED CCn1nncc1C(=O)N[C@H]1CCN(c2cnc(C#N)cn2)C1 1058353925 SJNDIUMBDIPGTJ-JTQLQIEISA-N 312.337 -0.032 30 20 DBED N#Cc1cncc(N2CC[C@H](NC(=O)Cn3ccccc3=O)C2)n1 1058367387 MHYOPVDYHLERQY-LBPRGKRZSA-N 324.344 -0.095 30 20 DBED CC#CCCCC(=O)N(CCO)CCNC(=O)c1nc[nH]n1 1058442931 XNWPGUVCWOAKKG-UHFFFAOYSA-N 307.354 -0.451 30 20 DBED N#Cc1cncc(N[C@H]2CCN(C(=O)[C@@H]3CCNC(=O)C3)C2)n1 1058872601 WFNJHYPFDHHQIZ-MNOVXSKESA-N 314.349 -0.113 30 20 DBED C=C[C@H](C)[C@H](C)C(=O)NCCN(CCO)C(=O)Cc1nc[nH]n1 1058891456 HVOHCGBSNVVHBS-RYUDHWBXSA-N 323.397 -0.258 30 20 DBED C=C[C@](C)(O)CC(=O)NCCN(CCO)C(=O)Cc1cnc[nH]1 1058948126 LUVVRQMCXHLLJX-HNNXBMFYSA-N 324.381 -0.784 30 20 DBED Cn1nncc1C(=O)NC[C@H]1CCCN1c1ccc(C#N)nn1 1061353699 OJFPJMDEHGHRBQ-LLVKDONJSA-N 312.337 -0.124 30 20 DBED Cn1nnc(C(=O)NC[C@@H]2CCCN2c2ccc(C#N)cn2)n1 1061429518 YYVBYUJSBMMJTJ-NSHDSACASA-N 312.337 -0.124 30 20 DBED C=C(C)CCC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1CNC(=O)N1 1061828622 YRKQZTNVQACXMU-RYUDHWBXSA-N 324.381 -0.632 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)c1cnn(C)c1 1061846080 MZTKOYQPEVYXIY-PWSUYJOCSA-N 305.338 -0.463 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(NC(=O)c2nnn(C)n2)CCC1 1062870549 GYELIMMODYYERJ-CYBMUJFWSA-N 322.369 -0.694 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)CSC)CCO1 1064818815 UFXOFHGPJRGEPU-NSHDSACASA-N 302.396 -0.104 30 20 DBED N#Cc1nccnc1N1[C@H]2CC[C@H]1CN(C(=O)C(N)=O)CC2 1065162858 FGTHJTVYTRLKIE-UWVGGRQHSA-N 300.322 -0.597 30 20 DBED C=CCCOCC(=O)N1CCO[C@H](CNC(=O)c2cnn[nH]2)C1 1065278652 MOVCNRNQYCZHDS-LLVKDONJSA-N 323.353 -0.645 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)COCC2CC2)C1 1065557265 OOQQXOWAUREJLG-AAEUAGOBSA-N 309.366 -0.084 30 20 DBED C=C[C@](C)(CC)C(=O)N[C@H]1COC2(C1)CN(C(=O)CC(N)=O)C2 1069016560 BIAVEIAJAMHHBE-IAQYHMDHSA-N 323.393 -0.050 30 20 DBED C#CCCN1CCn2ncc(CNC(=O)c3ncn(C)n3)c2C1 1069860013 ZNCWHVDOFXSWSR-UHFFFAOYSA-N 313.365 -0.220 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2nn(C)cc2C)C1 1069925979 HZYRIIVIWDOHIK-OLZOCXBDSA-N 313.365 -0.391 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2cn(C)c(O)n2)C[C@@H]1n1ccnn1 1070267649 JZNSNRREDGQDRV-PWSUYJOCSA-N 315.337 -0.994 30 20 DBED CN1CCC[C@H]1C(=O)N1C[C@@H](NCC#N)[C@H](c2cncn2C)C1 1070629217 FMGIRYKKABSTSH-MCIONIFRSA-N 316.409 -0.078 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)Cc4nc[nH]n4)C[C@@]3(C1)O2 1070878839 FJMURBXTZJSHMK-YWPYICTPSA-N 301.350 -0.718 30 20 DBED C=CCOCC(=O)N[C@@H]1CCCN(C(=O)CCn2cnnn2)C1 1071172678 QELLWAXPEBSQKK-GFCCVEGCSA-N 322.369 -0.627 30 20 DBED CO[C@@H](C)CC(=O)N1CCN(C2CN(C(=O)[C@@H](C)C#N)C2)CC1 1073549690 ROZWAYAVAPIULG-STQMWFEESA-N 322.409 -0.074 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](NC(=O)CC(=O)NC)[C@H](C)C1 1073910630 XALVNNBKDPHFQN-CHWSQXEVSA-N 323.393 -0.484 30 20 DBED C#CCCCC(=O)NCC[C@H](C)NC(=O)Cn1c(O)nnc1O 1076297977 SMIIPNNXWWSGHR-JTQLQIEISA-N 323.353 -0.496 30 20 DBED C#CCOCCC(=O)NCC[C@H](C)NC(=O)CN(C)C(C)=O 1076504145 NPTGTQURSIRMTB-LBPRGKRZSA-N 311.382 -0.484 30 20 DBED C#CCO[C@H](C)C(=O)NCC[C@H](C)NC(=O)CNC(=O)C1CC1 1076509299 UBHGICARTLSCBT-NWDGAFQWSA-N 323.393 -0.438 30 20 DBED C#CCCN1C[C@@H]2CCN(C(=O)C[C@H]3CC(=O)NC3=O)[C@@H]2C1 1076645692 NQIJUYGCWIHWMI-YNEHKIRRSA-N 303.362 -0.405 30 20 DBED C=CCO[C@@H](C)C(=O)NCC[C@H](C)NC(=O)Cn1nccn1 1077067625 GMJRWPMQMFCDES-RYUDHWBXSA-N 309.370 -0.120 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)C2CCN(CC3CC3)CC2)C1 1077975697 WOBMYADFZCWJQF-HZPDHXFCSA-N 305.422 -0.097 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H](C)CCNC(=O)CCn1cnnn1 1078023470 ZIBUCZHSGHKJFF-SMDDNHRTSA-N 324.385 -0.599 30 20 DBED CCN(C(=O)[C@]1(C)CNC(=O)C1)C1CN(C(=O)[C@@H](C)C#N)C1 1080121610 HTRUUKQTEZIONX-BONVTDFDSA-N 306.366 -0.268 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@@H]1Cc2cncn2C(=O)N1 1080181623 ALTASTIWALPERE-ADEWGFFLSA-N 302.338 -0.674 30 20 DBED C=CCCn1cc(C(=O)N[C@@H]2CN(CC(=O)NC)C[C@H]2C)nn1 1080584873 UYQRQTNOEDZFFY-VXGBXAGGSA-N 320.397 -0.350 30 20 DBED C=CC(C)(C)C(=O)N1CCC(CO)(NC(=O)CC(N)=O)CC1 1080787358 XNUWSFBFDMSLLO-UHFFFAOYSA-N 311.382 -0.456 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CNC(=O)CC)C1 1081349270 NZQWFCCRPZZASM-NWDGAFQWSA-N 311.382 -0.586 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)c2ccncn2)C[C@H]1O 1081464241 XIKIZLDOVUMGDP-TZMCWYRMSA-N 316.361 -0.315 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(C(=O)c2ccoc2)C[C@@H]1O 1081485051 FDDBLETTWAPRNY-KGLIPLIRSA-N 320.345 -0.131 30 20 DBED C=CCOCC(=O)N1C[C@H](CNC(=O)c2ccn(C)n2)[C@@H](O)C1 1081496384 JMBVLUMJJXHQGC-AAEUAGOBSA-N 322.365 -0.828 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@@H]2CCc3nccn3C2)[C@H](OC)C1 1081867573 ZHLLHNQRTGQPJG-MGPQQGTHSA-N 302.378 -0.106 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1OCCO[C@H]1C 1083109474 AEXYXKXIDCISFH-XQLPTFJDSA-N 308.378 -0.275 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CCC(=O)N1C 1083172955 KSZSDZIDZLVJGI-HZSPNIEDSA-N 305.378 -0.458 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2cc(O)nc(C3CC3)n2)C1 1083551326 FZSWIRCHSDGYFY-NEPJUHHUSA-N 302.334 -0.532 30 20 DBED N#CCN[C@@H]1CCCC[C@H]1NC(=O)C1CC2(C1)NC(=O)NC2=O 1085360501 JDVVXQCBIOHGFB-YJVGMPMCSA-N 319.365 -0.485 30 20 DBED N#CCN[C@H]1C[C@H](CNC(=O)[C@]23C[C@H]4C[C@H](C(=O)N2)[C@H]3C4)C1 1086410937 MGYJVOUQNLQLIR-BMBUUVGOSA-N 302.378 -0.091 30 20 DBED C=C(C)CN[C@@H]1CC[C@H](CNC(=O)c2cn(CC(N)=O)nn2)C1 1086882913 TYQVSUNAGZJVEC-NWDGAFQWSA-N 320.397 -0.172 30 20 DBED C=C(Cl)CN1CC[C@@H](NC(=O)C2CS(=O)(=O)C2)[C@@H](O)C1 1090293042 QZYVMKIXXVLNMF-MNOVXSKESA-N 322.814 -0.665 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cnn3c2OCCC3)[C@H](O)C1 1090396274 IHPHYEMYBQNZTJ-QWHCGFSZSA-N 304.350 -0.536 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1O 1090490047 KBHJIQTWXVZDEF-KCPJHIHWSA-N 314.345 -0.343 30 20 DBED C=CCCC(=O)N[C@@H]1CN(c2ncnc3[nH]cnc23)C[C@@H]1O 1091074529 BIHPGWJQPOFTOK-ZJUUUORDSA-N 302.338 -0.015 30 20 DBED CC(=O)N[C@H](C)C(=O)NC[C@H]1C[C@H](N=c2cc[nH]c(C#N)n2)C1 1091416835 QRULFYHZAPJUPZ-YUSALJHKSA-N 316.365 -0.399 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1C[C@H](CNC(=O)C2(C(N)=O)CC2)C1 1091506408 UPGRHQDAZLJEMI-UMSPYCQHSA-N 313.361 -0.053 30 20 DBED N#Cc1c(F)cccc1N1CC[C@@H](NC(=O)CC(N)=O)[C@H](O)C1 1092135471 YKMDVMMSQGJAHX-DGCLKSJQSA-N 320.324 -0.371 30 20 DBED Cc1cc(C#N)nc(NC2CC(CNC(=O)CNC(N)=O)C2)n1 1092186693 YPQWNYLWSZTFHJ-UHFFFAOYSA-N 317.353 -0.368 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)c3ncn(C)n3)c3nccn32)C1 1092367677 ADOJEFLQWQPPRV-NSHDSACASA-N 311.349 -0.470 30 20 DBED N#Cc1nccnc1N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CC(N)=O 1092810281 YDLROUZDVZWIRB-YWVKMMECSA-N 300.322 -0.550 30 20 DBED CCNC(=O)CC(=O)NC1[C@@H]2CN(c3cncc(C#N)n3)C[C@@H]12 1093266650 PQIUKIWYGORUHY-GHMZBOCLSA-N 314.349 -0.575 30 20 DBED N#Cc1nc(=NCCCNC(=O)CCn2cncn2)cc[nH]1 1094308904 RSLVCBRKKHBKLA-UHFFFAOYSA-N 300.326 -0.630 30 20 DBED Cc1nocc1C(=O)NCc1cn(C2CN(CC#N)C2)nn1 1094314170 QATZIJLBRWJVPV-UHFFFAOYSA-N 301.310 -0.115 30 20 DBED CCc1nc(C#N)cc(NCCCNC(=O)Cn2ncnn2)n1 1094599251 CGRGEIQKTQBFPM-UHFFFAOYSA-N 315.341 -0.484 30 20 DBED C#CCN1CCN(C(=O)c2nc(C)c[nH]2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094667374 OCMCZVJBQMWUHI-NWDGAFQWSA-N 322.390 -0.725 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)c3cnnn3CC)CC2=O)C1 1094735458 OKPOGMVJZHVYIT-NSHDSACASA-N 318.381 -0.501 30 20 DBED C[C@]1(C(=O)N[C@H]2CC(=O)N(C3CN(CC#N)C3)C2)CCOC1 1094802236 SYKRWDZHWHRAPT-NHYWBVRUSA-N 306.366 -0.662 30 20 DBED CN(CCCNC(=O)[C@@H]1COC(=O)N1)c1cnc(C#N)cn1 1095546513 CAAYMDXXPCVGHH-JTQLQIEISA-N 304.310 -0.601 30 20 DBED CN(C(=O)CNC(N)=O)C1CCN(c2cnc(C#N)cn2)CC1 1096092988 HVFUXCQJGPJBRT-UHFFFAOYSA-N 317.353 -0.556 30 20 DBED N#Cc1nccnc1N1CC[C@@H](NC(=O)CNC(=O)C2CC2)C1 1096320583 FVKTXZUHBOAAFE-LLVKDONJSA-N 314.349 -0.431 30 20 DBED C[C@@H]1CN(C(=O)c2nnn(C)n2)CC2(CCN(CC#N)CC2)O1 1098627432 RKEUPCMQCSFCOB-LLVKDONJSA-N 319.369 -0.571 30 20 DBED C[C@@H](CCNC(=O)CO[C@@H]1CCOC1)N=c1cc[nH]c(C#N)n1 1099545891 LEGNGBJUVFFJCP-NWDGAFQWSA-N 319.365 -0.118 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)c2cnns2)[C@@H](O)C1 1099695803 OBUZFQFTPLXBOY-QWRGUYRKSA-N 312.395 -0.094 30 20 DBED C#CCCCCC(=O)N[C@H]1CCN(Cc2nnn(C)n2)C[C@@H]1O 1099787123 UDHZRWXXHOWGIE-STQMWFEESA-N 320.397 -0.545 30 20 DBED C#CCCCC(=O)N[C@H]1CCN(Cc2cn(C)nn2)C[C@@H]1O 1099804956 VCRCWPKUPYAHFD-KBPBESRZSA-N 305.382 -0.330 30 20 DBED CCCNC(=O)CN1CC[C@H](NC(=O)C#CC2CC2)[C@H](O)C1 1099825866 BLGGOIKXWDAPKN-UONOGXRCSA-N 307.394 -0.523 30 20 DBED CC#CCCCC(=O)N[C@@H]1CCN(Cc2nnn(C)n2)C[C@@H]1O 1099962055 IMJZPZRCANQYFU-OLZOCXBDSA-N 320.397 -0.545 30 20 DBED C=CCCN1CC[C@@H](NC(=O)CCc2cnn(C)n2)[C@@H](O)C1 1100008830 OVHBNWRSFWKVMD-KGLIPLIRSA-N 307.398 -0.125 30 20 DBED C[C@H](C(=O)NCCN(C)c1ccc(C#N)nn1)n1cncn1 1100028304 NTUMFVZANIXXIB-SNVBAGLBSA-N 300.326 -0.247 30 20 DBED N#CCN1CC[C@@H](NC(=O)CNC(=O)c2ccsc2)[C@@H](O)C1 1100119983 SOANSESDXYJCAQ-NEPJUHHUSA-N 322.390 -0.447 30 20 DBED CN(CCNC(=O)[C@@H]1CCCS1(=O)=O)c1nccnc1C#N 1100135639 ZRURRKMKFASINW-NSHDSACASA-N 323.378 -0.522 30 20 DBED C#CCCNC1CC(CNC(=O)[C@@H](C)NS(=O)(=O)CC)C1 1100350927 DLDLUJJAGZEHEA-PNESKVBLSA-N 315.439 -0.178 30 20 DBED CCN(CCNC(=O)C1CN(C(C)=O)C1)c1cnc(C#N)cn1 1100521672 UBQKLLHKYMJPPB-UHFFFAOYSA-N 316.365 -0.231 30 20 DBED CCN(CCNC(=O)[C@]1(C)CNC(=O)C1)c1ccnc(C#N)n1 1100671125 QNRYFVCSGVUDEO-HNNXBMFYSA-N 316.365 -0.183 30 20 DBED C#Cc1ccc(C(=O)NCC2CC(NCC(=O)NC)C2)nc1 1100887315 BHGVTTKGGDCBSQ-UHFFFAOYSA-N 300.362 -0.093 30 20 DBED CC(=O)N(C)CC(=O)NC[C@H]1CCN(c2ccnc(C#N)n2)C1 1100959881 OTXGGFIBAMYHBQ-GFCCVEGCSA-N 316.365 -0.231 30 20 DBED N#Cc1nccc(N(CCNC(=O)Cn2nccn2)C2CC2)n1 1101395313 KAPZFMQZUZHCHT-UHFFFAOYSA-N 312.337 -0.275 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1CNC(=O)CN1CCCC1 1102579801 QGVQSYFSZKYVRS-ZIAGYGMSSA-N 321.425 -0.594 30 20 DBED COC(=O)NCC(=O)N(C)[C@@H]1CCN(c2nccnc2C#N)C1 1102670997 ATMKFZAFSUKKGS-SNVBAGLBSA-N 318.337 -0.259 30 20 DBED CC[C@H](CNC(=O)[C@H]1CCNC1=O)Nc1ccc(C#N)nn1 1103258987 ASKLCPCQHJMVAV-KOLCDFICSA-N 302.338 -0.209 30 20 DBED CC[C@@H](CNC(=O)[C@H]1CCC(=O)N1C)N=c1cc[nH]c(C#N)n1 1103271864 GNMRSUMUTYKSOQ-WDEREUQCSA-N 316.365 -0.302 30 20 DBED C[C@H](CNC(=O)[C@H]1CN(C)CCO1)CNc1ccc(C#N)nn1 1103890476 YFMZOMRNRBAMTC-WCQYABFASA-N 318.381 -0.157 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)CNc1ccc(C#N)nn1 1104183290 DLJHEFXBFMYRMP-SCZZXKLOSA-N 303.326 -0.806 30 20 DBED CC(C)[C@@H](O)C(=O)NC[C@H]1CN(c2nccnc2C#N)CCO1 1104305614 SOYPAJGDWMRWGY-WCQYABFASA-N 319.365 -0.313 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)[C@@]1(C)CNC(=O)C1 1104746902 CUMXJEIGJINABM-ZUZCIYMTSA-N 316.365 -0.445 30 20 DBED CC(C)(C)C#CC(=O)N1CC(n2cc(CNCC(N)=O)nn2)C1 1105238034 HNEMQMAEDGAPKA-UHFFFAOYSA-N 318.381 -0.714 30 20 DBED COC(=O)c1cnc(NC[C@@H](O)CNC(=O)[C@H](C)C#N)nc1 1105773728 MHIXQSRMEIXCAC-SCZZXKLOSA-N 307.310 -0.688 30 20 DBED Cn1ncc(C(=O)NC[C@@H](O)CNc2ccc(C#N)nc2)c1N 1105800592 UWNKDIDUDRNBLX-NSHDSACASA-N 315.337 -0.528 30 20 DBED N#Cc1nc(=NC[C@@H](O)CNC(=O)[C@H]2CCCOCC2)cc[nH]1 1105802897 UEMKXUANZKFOJQ-NWDGAFQWSA-N 319.365 -0.524 30 20 DBED CCN(CC)CC(=O)NC[C@H](O)CNc1cncc(C#N)n1 1105869398 RLEQGCXXOMUFAT-GFCCVEGCSA-N 306.370 -0.421 30 20 DBED COCCOCCC(=O)NC[C@H](O)CNc1ncccc1C#N 1105880551 DNXGPEAVLQTVQJ-ZDUSSCGKSA-N 322.365 -0.105 30 20 DBED C=CCNC(=O)[C@H](C)NC[C@@H]1CN(C(=O)CC(=O)NC)C[C@H]1C 1106047027 CLDZUVHFKYJJGF-FRRDWIJNSA-N 324.425 -0.503 30 20 DBED CCN(CCNc1ccc(C#N)nc1)C(=O)Cn1cnnn1 1106680125 ZWRWLJFTTJPGBO-UHFFFAOYSA-N 300.326 -0.100 30 20 DBED N#Cc1ccc(NC/C=C/CNC(=O)[C@@H]2CC[C@@H]2C(N)=O)nn1 1107450711 GEUDJHGGAVZKJU-FGXISPTISA-N 314.349 -0.056 30 20 DBED C=C(Cl)CN1CCO[C@](C)(CNC(=O)CS(C)(=O)=O)C1 1107786438 XYUWINRXJNOMFT-GFCCVEGCSA-N 324.830 -0.009 30 20 DBED C=CCN1CCO[C@@](C)(CNC(=O)CCCS(N)(=O)=O)C1 1108171979 WNRVMBABKDAEMF-ZDUSSCGKSA-N 319.427 -0.552 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H](C)CN(C)c1ccc2nnnn2n1 1109102063 LFCSBVCOUJETOO-QWRGUYRKSA-N 317.353 -0.502 30 20 DBED N#Cc1nccnc1N1C[C@H]2C[C@H]1[C@H]2NC(=O)CCn1ccnn1 1109696538 ABDTXWATYMANCS-OSMZGAPFSA-N 324.348 -0.277 30 20 DBED CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N)N(C)C 1109731630 DTRNWUXYQGZZHY-RFGFWPKPSA-N 321.425 -0.312 30 20 DBED CN(C)C(=O)CC(=O)N[C@H](CN=c1cc[nH]c(C#N)n1)C1CC1 1109992538 FLLVSNMQUPRKGK-LLVKDONJSA-N 316.365 -0.445 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CC[C@H]1NC(=O)NC1=O 1110078686 ZBKKSKXZBLZNPD-WYUUTHIRSA-N 304.350 -0.671 30 20 DBED CN(C)CCOCC(=O)NCC1(Nc2cncc(C#N)n2)CC1 1110190084 FFEDDQJMLMHHMV-UHFFFAOYSA-N 318.381 -0.013 30 20 DBED C[C@@H](CC(=O)NCC1(Nc2cncc(C#N)n2)CC1)NC(N)=O 1110237229 GJFDXIYQRHDDFD-VIFPVBQESA-N 317.353 -0.144 30 20 DBED N#Cc1cnc(NC2(CNC(=O)C[C@H]3CCNC3=O)CC2)cn1 1110250534 MSZCTQBHBOHCSP-SNVBAGLBSA-N 314.349 -0.065 30 20 DBED N#Cc1ccc(N2CC[C@@](O)(CNC(=O)c3ccon3)C2)nn1 1111052189 KYUULGKUEUOLKG-CQSZACIVSA-N 314.305 -0.293 30 20 DBED CN(CCCN(C)c1ccnc(C#N)n1)C(=O)CNC(N)=O 1112033876 DUJMZZLTWKMLRX-UHFFFAOYSA-N 305.342 -0.699 30 20 DBED Cc1cc(N2C[C@@H](O)[C@@H](CNC(=O)CC(N)=O)C2)c(C#N)cn1 1112725678 OTLZXXOFWRZARA-WCQYABFASA-N 317.349 -0.950 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)CCc2ncc[nH]2)CC1 1112812205 PBCCEGPUMUUDJL-CYBMUJFWSA-N 317.393 -0.376 30 20 DBED CCCN1CCC[C@@H]1C(=O)N1CCN(CC(=O)NCC#N)CC1 1112920921 LFWOPGVTVWVRQP-CQSZACIVSA-N 321.425 -0.355 30 20 DBED C[C@@H](CNC(=O)CCNC(N)=O)N(C)c1ccncc1C#N 1113609906 YBVMGMZIVOZVAC-JTQLQIEISA-N 304.354 -0.047 30 20 DBED COCCCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@@H](C)C#N)[C@H]2C1 1114067889 YCIAFMNDUXTWJI-CIQGVGRVSA-N 308.382 -0.655 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)C[C@H](C)SC)[C@@H]2C1 1114149160 PULFRILKSMFKGA-QJPTWQEYSA-N 309.435 -0.076 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1[C@@H]2CN(Cc3ccnn3C)C[C@@H]21 1114158273 SWYATVSYJPNFJD-VIKVFOODSA-N 315.377 -0.894 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@@H]2CN(Cc3cnoc3C)C[C@@H]12 1114160311 VXMBILFBMPKQQO-CHWSQXEVSA-N 316.361 -0.331 30 20 DBED CCc1[nH]ccc1C(=O)NC1[C@H]2CN(CC(=O)NCC#N)C[C@H]12 1114215109 QAVJXAAGLRBDDF-RYUDHWBXSA-N 315.377 -0.123 30 20 DBED O=C(C#CC1CC1)NC1[C@@H]2CN(C[C@@H](O)Cn3cccn3)C[C@@H]12 1114257599 CDPWFIOJJAOUAU-RBSFLKMASA-N 314.389 -0.296 30 20 DBED C=C(C)CCN1C[C@H]2C(NC(=O)CNS(=O)(=O)CC)[C@@H]2C1 1114363437 DBLBTUXASZVZAC-VXGBXAGGSA-N 315.439 -0.062 30 20 DBED CN(c1cncc(C#N)n1)C1CCN(C(=O)CNC(N)=O)CC1 1115129400 OWCLHKOHCFSJLA-UHFFFAOYSA-N 317.353 -0.556 30 20 DBED CCOCC(=O)NCCOCCN(C)c1cncc(C#N)n1 1115175551 WSBGCCSEYJNAKJ-UHFFFAOYSA-N 307.354 -0.046 30 20 DBED C#CCCN1C[C@@H]2C(NC(=O)CCCN3C(=O)CNC3=O)[C@H]2C1 1115218582 GMCGYAYEHOTBNJ-RYUDHWBXSA-N 318.377 -0.612 30 20 DBED C[C@@H](CN(C)C(=O)[C@@H]1CCC(=O)N1)Nc1nccnc1C#N 1115787590 FVSKEJPIGLHSST-UWVGGRQHSA-N 302.338 -0.114 30 20 DBED CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2CC[C@](O)(CC#N)C2)C1 1118189359 OOGOJBGODGXCSD-XJKSGUPXSA-N 322.409 -0.195 30 20 DBED C#CCNC(=O)[C@H](C)NC1CC2(CC(NC(=O)COC)C2)C1 1120488977 HKWBGSQBQWUCBK-KWDKGFIESA-N 307.394 -0.212 30 20 DBED Cc1ocnc1C(=O)NC[C@H](CO)N=c1cc[nH]cc1C#N 1121166231 XWXHCOYDTHNYSK-LLVKDONJSA-N 301.306 -0.126 30 20 DBED N#Cc1nccnc1N[C@H](CO)CNC(=O)c1ccc(O)nn1 1121177397 LJFCQTOUOXXQKC-QMMMGPOBSA-N 315.293 -0.953 30 20 DBED Cc1cc(C#N)nc(N[C@H](CO)CNC(=O)c2cocn2)n1 1121332286 OFLUHBNUQSKBOE-JTQLQIEISA-N 302.294 -0.153 30 20 DBED N#Cc1c[nH]ccc1=N[C@H](CO)CNC(=O)Cc1cc[nH]n1 1121398981 LGLMGHDXWXNWDC-LBPRGKRZSA-N 300.322 -0.770 30 20 DBED Cc1cc(C#N)nc(N[C@@H](CO)CNC(=O)CC2(O)CCC2)n1 1121528029 HFBJPPGRVDBECR-GFCCVEGCSA-N 319.365 -0.149 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H](CO)Nc1ccc(C#N)cn1 1122035943 KCEABBGDEGSQGN-DGCLKSJQSA-N 302.334 -0.119 30 20 DBED Cc1cc(=N[C@H](CO)CNC(=O)[C@@]2(F)CCOC2)c(C#N)c[nH]1 1122412196 WOQGSYPPYIDDTA-SWLSCSKDSA-N 322.340 -0.299 30 20 DBED COCCOC[C@H](O)CNCCNC(=O)c1cc(C#N)c[nH]1 1125361156 QGAWOYDYKUJKNP-GFCCVEGCSA-N 310.354 -0.770 30 20 DBED C=C(C)CN(CC)C(=O)CNCCNC(=O)[C@H]1COC(=O)N1 1126548470 LWCBXKGVOGVWBQ-LLVKDONJSA-N 312.370 -0.775 30 20 DBED CC(=O)NCC(=O)N(C)C1CC(Nc2nccnc2C#N)C1 1126835776 BYPJPWXATHFHIS-UHFFFAOYSA-N 302.338 -0.114 30 20 DBED CN(C(=O)CCNC(N)=O)C1CC(Nc2cnc(C#N)cn2)C1 1126945653 ISEWHFBRBNYBOJ-UHFFFAOYSA-N 317.353 -0.192 30 20 DBED CCC(=O)N1CCCC[C@@H]1C(=O)NCCNCC(=O)NCC#N 1128017991 DINCMNUCTJEZQL-GFCCVEGCSA-N 323.397 -0.877 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1c2c(nn1C)CCCC2 1128315803 ZJAYSEJEUIDOLY-UHFFFAOYSA-N 319.409 -0.080 30 20 DBED C=CCCN1CCNC(=O)CCN(C(=O)CC(=O)NC)CC1 1131351385 LONWPQJJQGAYKC-UHFFFAOYSA-N 310.398 -0.651 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)CN(C)C(C)=O)CC[C@@H]1C 1131829522 HMPSPUAYZUNDEH-JSGCOSHPSA-N 324.425 -0.264 30 20 DBED CC#CCN1C[C@@H](NC(=O)CCn2ncn(C)c2=O)CC[C@@H]1C 1132199039 FCTQAARSDRHILX-KBPBESRZSA-N 319.409 -0.036 30 20 DBED C#CCCN1C[C@H](NC(=O)CS(=O)(=O)N(C)C)CC[C@H]1C 1132453396 OHEWBBGBYBYZPL-CHWSQXEVSA-N 315.439 -0.130 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)COCC)CC[C@@H]1C 1132614210 RXNQQXVBWQOUHL-UONOGXRCSA-N 309.410 -0.154 30 20 DBED C[C@@H]1CCN(C(=O)c2cc(=O)n(C)cn2)C[C@H]1CNCC#N 1132900826 IIKRYZHUKFAJRV-VXGBXAGGSA-N 303.366 -0.008 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)c2nnc(O)nc2O)CC[C@@H]1C 1132953691 GWYWWVRLKUNFIL-WDEREUQCSA-N 319.365 -0.006 30 20 DBED C[C@@H](C[C@H](C)NC(=O)c1cnsn1)NCC(=O)NCC#N 1133779198 LWYQKVMPGILMAH-IUCAKERBSA-N 310.383 -0.336 30 20 DBED C=C(C)CN[C@H](C)C[C@H](C)NC(=O)CNS(=O)(=O)N(C)C 1135569048 ZYZKBUUDLGEXEY-NEPJUHHUSA-N 320.459 -0.169 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC2(CN(C(=O)c3nc[nH]n3)C2)C1 1148462592 HWTUVCAIGFDTDO-NSHDSACASA-N 316.365 -0.910 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1cnc(C2CC2)s1 1148602812 GQSMSJJPLKBXKO-UHFFFAOYSA-N 307.379 -0.020 30 20 DBED C#CCNC(=O)CN1CCCO[C@@H](CNC(=O)[C@H](C)C2CC2)C1 1149473742 PBCJGKHOETVCKB-HIFRSBDPSA-N 321.421 -0.011 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(Cc2nnnn2C)CCCO1 1149672334 AHQMXLTYZRTXPJ-CYBMUJFWSA-N 320.397 -0.423 30 20 DBED COC[C@H](O)CN1CCCO[C@H](CNC(=O)C#CC2CC2)C1 1149694766 UFHXYPLVJJQMNN-HUUCEWRRSA-N 310.394 -0.386 30 20 DBED CC#CCN1CCCO[C@@H](CNC(=O)C[C@H]2CCNC2=O)C1 1149853865 DVQDQVVPKFXCDO-KGLIPLIRSA-N 307.394 -0.257 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)C[C@@H]1COC(=O)C1 1152764412 YDZWKNPSDBIJLQ-OLZOCXBDSA-N 323.393 -0.484 30 20 DBED CN(CC#N)C[C@H]1CCCCN1C(=O)[C@H]1CCS(=O)(=O)N1 1158872147 DRECYPFHDRDALU-VXGBXAGGSA-N 314.411 -0.485 30 20 DBED C=CCOCCNCCCNC(=O)CN(C)S(C)(=O)=O 1159183918 CRSWJMRGZIMRCZ-UHFFFAOYSA-N 307.416 -0.824 30 20 DBED C#CCC1(C(=O)NCCCNCCOCCO)CCOCC1 1159644673 SNZYIBXUZGDNSA-UHFFFAOYSA-N 312.410 -0.089 30 20 DBED C#CCNC(=O)CNCCCNC(=O)CC[C@@H]1CCCN1C 1160274429 SFYAIJCESBNWHH-AWEZNQCLSA-N 308.426 -0.294 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 1160336964 PKWQALBOWMTACN-JHJVBQTASA-N 317.393 -0.253 30 20 DBED C#CCNC(=O)CNCCCNC(=O)C12CCCN(CCC1)C2 1160835324 YRZGDIPTYXFDQH-UHFFFAOYSA-N 320.437 -0.292 30 20 DBED C[C@H](CCCCNCC(=O)NCC#N)NC(=O)Cn1cncn1 1176476757 SHHMPTNOICBLLV-GFCCVEGCSA-N 321.385 -0.818 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)COCCN(C)C)C[C@H]21 1177139657 SVGFXZZGCMBMMD-HUUCEWRRSA-N 309.410 -0.501 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2cnnc(O)c2)C1 1183465685 NMCXDEFDELICCK-ZYHUDNBSSA-N 317.349 -0.876 30 20 DBED C=CCNC(=O)CNC[C@H]1CCN(C(=O)CC(N)=O)C[C@@H]1C 1184098197 IUYRURJZTSQSLH-NWDGAFQWSA-N 310.398 -0.762 30 20 DBED CC#CCNC[C@@H]1CCN(C(=O)Cn2ncn(C)c2=O)C[C@@H]1C 1184684385 OZPSIDXHVJYLBT-KBPBESRZSA-N 319.409 -0.321 30 20 DBED C[C@@H]1CN(C(=O)c2cnon2)CC[C@H]1CNCC(=O)NCC#N 1185338813 SFQYDCGFLCJPBB-MNOVXSKESA-N 320.353 -0.603 30 20 DBED C=CCN1CC[C@@H](N[C@@H]2CCN(C(=O)CCN(C)C)C2)C1=O 1185407797 CDKBEFWFOOGPIU-ZIAGYGMSSA-N 308.426 -0.085 30 20 DBED C#CCNC[C@@H]1CCN(C(=O)Cn2c(O)nnc2O)C[C@@H]1C 1185572903 KVWFMDYEPUGPNG-QWRGUYRKSA-N 307.354 -0.603 30 20 DBED C=CCNC(=O)CNCc1cn([C@H]2CCCN(C(C)=O)C2)nn1 1185856601 SKFCKOKTRWZHFM-AWEZNQCLSA-N 320.397 -0.147 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2cc(CC)on2)C1 1187177189 YAODASHKRWVOMJ-LLVKDONJSA-N 304.350 -0.210 30 20 DBED C=CCOCCN[C@@H]1CCN(C(=O)[C@@H]2CCCS2(=O)=O)C1 1187975653 JPTAZSXBUCQMHV-OLZOCXBDSA-N 316.423 -0.043 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2cnn(CC)c2)C1 1189418354 KYWMCLPHWLKCNO-AWEZNQCLSA-N 317.393 -0.201 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2n[nH]c(C)c2O)C1 1189663515 FSSBHYDLWGAMNL-LLVKDONJSA-N 319.365 -0.681 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](N(C)Cc2ccnn2C)C1 1189760402 KZOJSQCIHHHTTQ-ZDUSSCGKSA-N 317.393 -0.408 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)CC(C)(C)C)C1 1191090541 RVFVRCXELHHGMC-YNEHKIRRSA-N 309.410 -0.278 30 20 DBED C#CCN(C)[C@@H]1CCN(C(=O)[C@H](CCC)S(N)(=O)=O)C1 1191550276 AWSHXTPMVMLRHD-NEPJUHHUSA-N 301.412 -0.391 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)[C@H](CC)NC(C)=O)C1 1192473120 SRXUJOKMFRVGHX-KGLIPLIRSA-N 322.409 -0.817 30 20 DBED CN1CCC[C@H](N2C[C@@H](O)[C@H](NC(=O)C#CC3CC3)C2)C1=O 1192821489 LRDUOYQKXRAEFA-HZSPNIEDSA-N 305.378 -0.818 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)[C@H](C)NC(=O)CC)C1 1193180728 BFWVYMLFLWDGKY-HBNTYKKESA-N 303.790 -0.185 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@H]1CCN(C(=O)CN2CCCC2)C1 1194041220 VTNAUYBXUFOCAQ-GJZGRUSLSA-N 320.437 -0.247 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)CCS(C)(=O)=O)C1 1194168498 RUOXENYRYDDTMX-NXEZZACHSA-N 310.803 -0.665 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@]2(C)C[C@@H]3C[C@@H]3C2)C1 1194893042 NSXFLFBSWCFCSK-QFRSUPTLSA-N 321.421 -0.114 30 20 DBED N#CCNC(=O)CN1CCCN(C(=O)[C@H]2CCCCO2)CC1 1195487501 GMCQRTOLTKYZRL-CYBMUJFWSA-N 308.382 -0.270 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCC(=O)N2)C1 1196846150 WWFWWBNUUQTWSO-YNEHKIRRSA-N 311.382 -0.981 30 20 DBED N#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C(C2CC2)C2CC2)C1 1197637480 NYZTUCBZGUUJKK-CHWSQXEVSA-N 320.393 -0.776 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(Cc2nc(CC)no2)C[C@H]1O 1199307337 IVXUCELPVPGWNQ-VXGBXAGGSA-N 324.381 -0.114 30 20 DBED CNC(=O)CCCC(=O)N1CCC(NCC(=O)NCC#N)CC1 1200194890 RJEZJRUJEPDVAN-UHFFFAOYSA-N 323.397 -0.877 30 20 DBED C#CCNCC1CCN(C(=O)[C@H](CCC)S(N)(=O)=O)CC1 1205762776 NMKGXNPJOVARSW-ZDUSSCGKSA-N 315.439 -0.095 30 20 DBED CN1CCC[C@@H]1C(=O)N1CCC[C@H](NCC(=O)NCC#N)C1 1207689019 VGYBQECVDHLUJQ-QWHCGFSZSA-N 307.398 -0.699 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1 1207857456 ZGMZIZLWMICXMM-CYBMUJFWSA-N 313.361 -0.170 30 20 DBED C[C@@H]1CCN(CC(=O)N2C[C@@H](NCC(=O)NCC#N)[C@H](C)C2)C1 1215544239 LZZXZZNSQUUBGQ-MGPQQGTHSA-N 321.425 -0.596 30 20 DBED C[C@@H]1CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C[C@H]1NCC(=O)NCC#N 1215602945 SOBMELYPDRDYEB-KSTCHIGDSA-N 320.393 -0.370 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H](C)OCC=C)C[C@H]1C 1216930226 KFNJHOSWBCXGCW-MGPQQGTHSA-N 307.394 -0.237 30 20 DBED C#CCCCC(=O)N[C@@H]1CN([C@@H](C)C(=O)NCC=C)C[C@@H]1O 1219523622 KKPUBUHZGGPDTD-MJBXVCDLSA-N 307.394 -0.358 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)COCCOc2ccccc2)C1 1219930676 MZVDATWTXGYUJN-CABCVRRESA-N 319.361 -0.233 30 20 DBED CCO[C@H]1C[C@@H]1C(=O)NC1CCN(CC(=O)NCC#N)CC1 1226228203 GMJDFGXEYSFBFB-STQMWFEESA-N 308.382 -0.368 30 20 DBED CCS(=O)(=O)NCC(=O)N[C@@H]1CCCC[C@H]1NCC#N 1226572998 MGRSLZHYFZSIJT-GHMZBOCLSA-N 302.400 -0.534 30 20 DBED C[C@@H](C#N)C(=O)NC1CCN(CC(=O)NC[C@@H]2CCOC2)CC1 1226640519 ODUYIXIFYFCQGF-STQMWFEESA-N 322.409 -0.121 30 20 DBED CC#CCN[C@@H]1CCCC[C@H]1NC(=O)C[C@H](NC(C)=O)C(N)=O 1228961240 NKXGAPHMJUODQY-MCIONIFRSA-N 322.409 -0.593 30 20 DBED C[C@H]1OCC[C@@H]1C(=O)NC1CCN(CC(=O)NCC#N)CC1 1229732668 NIFQXOGHNGBZLZ-YPMHNXCESA-N 308.382 -0.368 30 20 DBED Cc1ncoc1C(=O)N(C)C[C@@H]1CCN1CC(=O)NCC#N 1231404586 ATCKZVNFYIYJQH-NSHDSACASA-N 305.338 -0.231 30 20 DBED CN1CCN(C)[C@@H](CNC(=O)C(=O)N2CCC[C@](C)(C#N)C2)C1 1258383945 QEEAENVUXXQTHN-XJKSGUPXSA-N 321.425 -0.499 30 20 DBED CC1=CC(=O)[C@@H](C(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)C(=O)O1 1317779406 IHPJJNOHZPTKLY-ZYOFXKKJSA-N 318.285 -0.688 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1C[C@@H](C)O[C@@H](COC)C1 1323528472 QLTRTQOJUXZAIW-IJLUTSLNSA-N 300.355 -0.434 30 20 DBED N#CCNC(=O)CNC(=O)N1CC[C@@H](CN2CCCC2=O)C1 1327740521 JQBUSDYJEKLACY-NSHDSACASA-N 307.354 -0.720 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)Nc1ccnc(OCCO)c1 1330298637 FVXDUMSGQXQSTI-SNVBAGLBSA-N 309.322 -0.292 30 20 DBED C#CC1(O)CN(C(=O)c2n[nH]cc2I)C1 1334059710 KLANQUVJJLUKNR-UHFFFAOYSA-N 317.086 -0.166 30 20 DBED C=C(C)CCn1nnnc1N1CCN(S(=O)(=O)NC)CC1 1334451766 IXZYUIPMDVFVCP-UHFFFAOYSA-N 315.403 -0.775 30 20 DBED COc1ncc(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)cn1 1339084199 RDHIDJLRGHVJES-ACCUITESSA-N 317.305 -0.259 30 20 DBED O=C1C=CC=N/C1=C(\O)NCCN1C(=O)NC2(CCC2)C1=O 1340012906 WAYBEFOCPITILO-KHPPLWFESA-N 304.306 -0.013 30 20 DBED COCCCNC(=O)[C@@H](C#N)C(=O)c1ccc(C(N)=O)nc1 1344557548 JXJPTWUKHHMQEM-JTQLQIEISA-N 304.306 -0.344 30 20 DBED N#CC[C@@]1(O)CCN(CCOCCN2CC[C@@](O)(CC#N)C2)C1 1345780991 LADDCVUGJNNZAE-IYBDPMFKSA-N 322.409 -0.296 30 20 DBED CN1CCC[C@@H](NC(=O)C(=O)N2CCC[C@](C)(C#N)C2)C1=O 1352329886 MOOUGMNAMBEHKH-IAQYHMDHSA-N 306.366 -0.124 30 20 DBED CN1CCCC[C@@H]1CNC(=O)CCn1cc(C#N)c(O)nc1=O 1365137910 NCQZOIIEZKFWCO-GFCCVEGCSA-N 319.365 -0.189 30 20 DBED C=C(Cl)CN1CC[C@H](NC(=O)CCS(=O)(=O)NC)C1 1367013094 JVDHZDQVEPFRPL-JTQLQIEISA-N 309.819 -0.131 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNCc1nc(C(F)F)no1 1367584578 RMHCPLVRXWHSSG-RNFRBKRXSA-N 303.269 -0.266 30 20 DBED C[C@@H](C#N)C(=O)NCCN1CCN(C(=O)[C@H]2CCCCO2)CC1 1372215709 BVWOUONWEXMREW-UONOGXRCSA-N 322.409 -0.024 30 20 DBED COCCn1cc(C(=O)N[C@H](C)CNC(=O)[C@H](C)C#N)cn1 1400047595 KESAYDFJFGEAJN-GHMZBOCLSA-N 307.354 -0.076 30 20 DBED C[C@@H](C#N)C(=O)N(C)C[C@H]1CCCN1C(=O)Cn1ncnn1 1404053257 OQBHLAIOWBZWDN-WDEREUQCSA-N 305.342 -0.718 30 20 DBED C[C@H](O)[C@@H](NC(=O)C1CCCC1)C(=O)N1CCO[C@@H](C#N)C1 1411751753 FISIDZCZFNICNB-WCFLWFBJSA-N 309.366 -0.207 30 20 DBED COCCN(CCC#N)S(=O)(=O)N(C)[C@]1(CO)CCOC1 1414271070 PSBHCMJICIIKRE-LBPRGKRZSA-N 321.399 -0.824 30 20 DBED COC[C@@H](OC)C(=O)N1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 1414775853 STGWMWIFVFMMDU-DGCLKSJQSA-N 320.349 -0.122 30 20 DBED C[C@@H](CNC(=O)CN1CCCC1=O)NC(=O)c1cc(C#N)c[nH]1 1415099401 JUDWSOWKRHFLAG-JTQLQIEISA-N 317.349 -0.257 30 20 DBED CCN(CCC#N)C(=O)CN1CC(NC(=O)C2(COC)CC2)C1 1418978214 YWXMHNYGOLEMPC-UHFFFAOYSA-N 322.409 -0.024 30 20 DBED N#C[C@@H]1CSCCN1C(=O)c1cn(C[C@@H]2CNC(=O)O2)nn1 1435720572 XZUMSONZBUJWIY-BDAKNGLRSA-N 322.350 -0.532 30 20 DBED C[C@H](CNC(=O)c1cc(C#N)c[nH]1)N(C)C(=O)[C@H]1CCC(=O)N1 1442703361 IRVQDLZJWSPLGH-MWLCHTKSSA-N 317.349 -0.258 30 20 DBED C[C@H](C#N)C(=O)NCC1CN(Cc2cc(=O)n3nccc3[nH]2)C1 1443574273 WNGNILTYIXKDBV-SNVBAGLBSA-N 314.349 -0.270 30 20 DBED Cc1nccnc1CCNC(=O)Cn1cc(C#N)c(O)nc1=O 1450317412 YJOQRPXEVPLJBQ-UHFFFAOYSA-N 314.305 -0.722 30 20 DBED CCN(CCNC(=O)[C@@H](C)C#N)C(=O)Cn1ccc(O)nc1=O 1455660470 WENQHVFKMWJVRN-JTQLQIEISA-N 321.337 -0.927 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)[C@H](C)NC(=O)c2ccoc2)C1 1498230328 ZTLPHUVWDCCRJP-UWVGGRQHSA-N 318.333 -0.115 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)[C@H]2C[C@H]2C(=O)O)CC1 1573368241 KLXHUPBIJWIMQF-NWDGAFQWSA-N 309.366 -0.410 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)NC[C@@]1(C(=O)O)CCCOC1 1573398868 IWABUXWAIZJZDO-JQWIXIFHSA-N 319.383 -0.206 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCN[C@H](C)C(=O)NCc1cnn[nH]1 1575178583 PDZGSPWDCWQCPF-VHSXEESVSA-N 307.358 -0.983 30 20 DBED CCN(CCNC(=O)[C@H](C)C#N)c1ccnc(-c2nn[nH]n2)n1 1577923149 FTLILORQVZAYNT-SECBINFHSA-N 315.341 -0.241 30 20 DBED CN(C(=O)[C@@H]1NCCc2cc(C#N)ccc21)[C@@H]1COC[C@H]1O 1578373330 YTWIOXIOEGHGKE-RBSFLKMASA-N 301.346 -0.037 30 20 DBED COCCN(CC(=O)OC)c1cnc(-c2nn[nH]n2)c(C#N)n1 1579793378 SWYZADVBHDDBHW-UHFFFAOYSA-N 318.297 -0.846 30 20 DBED C#CCN(CC(=O)O)c1nnc([C@H]2C[C@@H](O)CN2C)n1CC=C 1588426761 BGPNRFNFUWYJCR-VXGBXAGGSA-N 319.365 -0.274 30 20 DBED C#CCN(CC(=O)O)c1nnnn1C[C@@H]1CCOC[C@@H]1OC 1588427180 PQMHIRSQYKHTOJ-QWRGUYRKSA-N 309.326 -0.751 30 20 DBED C[C@@H](C(=O)N[C@@H](Cc1ccncc1)C(=O)O)n1cnc(C#N)n1 1588552647 YATMDVIVTLWYKE-ONGXEEELSA-N 314.305 -0.082 30 20 DBED C=C[C@H](CO)NCC(=O)NCc1ccc(-c2nn[nH]n2)cc1 1588728590 SQIORWAPOFGUEZ-GFCCVEGCSA-N 302.338 -0.381 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2C[C@H]2C(=O)O)C1=O 1588837171 SJWPFIUXQITZRC-MXWKQRLJSA-N 323.349 -0.931 30 20 DBED C=CCOC[C@@H](NC(=O)c1ccc2nnc(O)n2c1)C(=O)O 1588862441 YGLLHKJFIQLYAE-SECBINFHSA-N 306.278 -0.180 30 20 DBED COCCN(CCC(=O)O)C(=O)C(=O)N1CCC[C@@H](C#N)C1 1594000940 HJCNWSJMOAGQFR-NSHDSACASA-N 311.338 -0.302 30 20 DBED COC(=O)[C@@H]1CN(S(=O)(=O)CC(C)(C)C#N)C[C@H]1C(=O)O 1598828479 WUJCRLMBLKKOHP-RKDXNWHRSA-N 318.351 -0.328 30 20 DBED COc1cc(C#N)ccc1OCC(=O)N1CC[C@@](O)(C(=O)O)C1 1607065262 TUNISPPYPIXSAJ-HNNXBMFYSA-N 320.301 -0.006 30 20 DBED N#CC1CCN(C(=O)C(=O)N2C[C@@H](C(=O)O)C[C@@H](O)C2)CC1 1608179705 ZATYFPVHWUVPCO-WDEREUQCSA-N 309.322 -0.957 30 20 DBED N#C[C@]12CN(C(=O)[C@H]3C[C@@H](C(=O)O)C3)C[C@H]1CS(=O)(=O)C2 1608192146 VCXLEUYIACXVQZ-MPXOCVNLSA-N 312.347 -0.506 30 20 DBED Cc1nc(C)c(C(=O)N[C@@H]2CCN(CC(=O)NCC#N)C2)o1 1649443736 GEGXXUYKLIKXMV-LLVKDONJSA-N 305.338 -0.265 30 20 DBED N#CCCN1CCN(CC(=O)NCC(=O)N2CCCC2)CC1 1649966096 AZRXMEVXXFKQHX-UHFFFAOYSA-N 307.398 -0.744 30 20 DBED C#CCOCCC(=O)N(C)C1CCN(Cc2nnn(C)n2)CC1 1752299312 CEMBRQDNXIRCCE-UHFFFAOYSA-N 320.397 -0.327 30 20 DBED CC(C)[C@H]1C[C@@H]1C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1752846165 QCBBNURPHROTRS-JYKNGBAOSA-N 304.394 -0.035 30 20 DBED C[C@@H](CNC(=O)c1cn(C(C)(C)C)nn1)NCC(=O)NCC#N 1752877032 LOVBWLZQPJYCML-JTQLQIEISA-N 321.385 -0.619 30 20 DBED C#CCOCCC(=O)NC[C@H]1CCCN1CCn1cncn1 1753102094 DBSBYRLGEFWPMY-CQSZACIVSA-N 305.382 -0.101 30 20 DBED C=CCN1CCC[C@@H]1CNC(=O)CN1C(=O)C(=O)N(C)C1=O 1753112680 GCWPUPWPJDAUNH-SNVBAGLBSA-N 308.338 -0.826 30 20 DBED C#CCNC(=O)CN[C@H](CNC(=O)c1cncnc1O)C(C)C 1753831908 CJZUADUAALGUQN-GFCCVEGCSA-N 319.365 -0.724 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@@H](C)NC(=O)CCc1nc(C)no1 1754237041 QHEJQSNWSGCFQJ-GHMZBOCLSA-N 321.381 -0.457 30 20 DBED CC#CCN[C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C[C@@H]1CC 1754470954 SUZIVOLYPPXVBH-LSDHHAIUSA-N 320.437 -0.342 30 20 DBED C=CCN1CC[C@@]2(CCN(C(=O)CN(C)S(C)(=O)=O)C2)C1 1754564555 GPRXMPBRDJUPJE-CQSZACIVSA-N 315.439 -0.012 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@]1(O)CCN(CCn2cccn2)C1 1754751525 NZLUWACMFGERNQ-HOCLYGCPSA-N 320.393 -0.526 30 20 DBED N#CCN1CCOC[C@@H]1CNC(=O)CCOC[C@@H]1CCCO1 1754968611 IDLSCCZOWQQKSA-KBPBESRZSA-N 311.382 -0.087 30 20 DBED C#CCNC[C@@H]1CN(C(=O)c2nnn(C(C)(C)C)n2)CCO1 1755001003 SNQZNKPQXFTDSA-LLVKDONJSA-N 306.370 -0.508 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)Cc2ncc[nH]2)CCO1 1755013318 UMFWOBKNTMUMLE-CYBMUJFWSA-N 306.366 -0.581 30 20 DBED C#CCNCC1(O)CCN(C(=O)Cn2nnnc2C(C)C)CC1 1755153858 SPOSWBSDOJPXRQ-UHFFFAOYSA-N 320.397 -0.627 30 20 DBED CC(C)C#CC(=O)NC1(CO)CCN(Cc2cnnn2C)CC1 1755177040 BDDFJQQUJXOCNI-UHFFFAOYSA-N 319.409 -0.082 30 20 DBED C[C@H](NCC(=O)NCC#N)[C@@H](C)NC(=O)c1ccc(F)nc1 1755233114 YMJRSGWKGATHNI-VHSXEESVSA-N 307.329 -0.043 30 20 DBED CC#CCCCC(=O)NC1(CCO)CN([C@@H]2CCNC2=O)C1 1755334659 GRXFUNAOQWEIBR-CYBMUJFWSA-N 307.394 -0.379 30 20 DBED CC#CCN1CC(CCO)(NC(=O)c2ccc(C(N)=O)cc2)C1 1755338470 WXNAFLOMRSGJRY-UHFFFAOYSA-N 315.373 -0.025 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](CNC(=O)[C@H](C)NC(C)=O)[C@H]2C1 1755435791 VIJCUUSQGBMJFO-DOERSZECSA-N 322.409 -0.893 30 20 DBED COCC#CCN[C@H](CO)CNC(=O)C[C@@H](C)n1ccc(C)n1 1755633795 DBNZCFGMDPIVSG-CABCVRRESA-N 322.409 -0.141 30 20 DBED COCC#CCN1CCC[C@@H](NC(=O)CNC(=O)OC)[C@@H]1C 1755713973 GGFWSHAIULIGDK-QWHCGFSZSA-N 311.382 -0.039 30 20 DBED C=CCNC(=O)[C@H](C)N(C)C[C@@H](O)CN(C)C(=O)c1ccon1 1755798164 PJAQYKVUYNPDQO-NWDGAFQWSA-N 324.381 -0.270 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)[C@@H](C)NC(=O)C1CCOCC1 1755945992 ORKGJYFUBNVFQN-NWDGAFQWSA-N 323.393 -0.438 30 20 DBED C#CCCCC(=O)N1CC(CCO)(NC(=O)[C@@H]2CCC(=O)N2)C1 1756086210 IAGLPGKICFDOFF-LBPRGKRZSA-N 321.377 -0.852 30 20 DBED C=CCO[C@@H](C)C(=O)N1C[C@H]2CC[C@H]1CN2C(=O)CNC(C)=O 1756162507 STYCIPCFNOPWHW-YUTCNCBUSA-N 323.393 -0.085 30 20 DBED CS(=O)(=O)CC(=O)NC[C@H]1[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]12 1756192588 QNDINWCSDOIMAZ-XYYAHUGASA-N 324.402 -0.735 30 20 DBED CC(C)C#CC(=O)N[C@H](CO)CNC(=O)Cc1cscn1 1756523648 XZDWKPLXOOMPON-LBPRGKRZSA-N 309.391 -0.062 30 20 DBED C=CCOCC(=O)NC[C@H](O)CN(C)C(=O)c1c[nH]nc1C 1756672143 PWXLCDUODCIGPM-NSHDSACASA-N 310.354 -0.530 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(C(=O)Cc2ccc[nH]2)C[C@H]1O 1757564054 QSXFQPSESVZXKN-ZIAGYGMSSA-N 321.377 -0.162 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)/C=C/c1cnc[nH]1)CCO2 1783054493 WZXPQBROIYQGRY-QDLOVBKTSA-N 314.345 -0.114 30 20 DBED CC[C@@H](NC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC#N)C[C@@H]21 1786966654 DBPQMQQRPOSOFQ-FQUUOJAGSA-N 322.409 -0.122 30 20 DBED N#CC1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN)C[C@@H]32)CCC1 1792139191 RPELUEVXKKDDTL-AVGNSLFASA-N 320.393 -0.381 30 20 DBED C#CC(=O)N[C@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825670455 CVBJHHWXQKXKOY-QMMMGPOBSA-N 317.326 -0.224 30 20 DBED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc[nH]n1)CCO2 1831768710 ZQKYWOSNLPDWDL-OAHLLOKOSA-N 318.333 -0.887 30 20 DBED C=CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)C(=O)N(C)C)C1 1842835445 ATGQUHVABGYCNP-GFCCVEGCSA-N 323.393 -0.131 30 20 DBED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)[C@@H]1CCCO1)C2 1846197062 OTBNKUBFPZWIND-NSHDSACASA-N 306.318 -0.543 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)C2CN(C)C2)C1 1846714301 LNJQUONXBPKAAT-ZDUSSCGKSA-N 319.405 -0.210 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)CN2CCC[C@@H]2C)CC1 77987122 DPLBVVQRSFFLDQ-HNNXBMFYSA-N 320.437 -0.246 30 20 DBED CCNS(=O)(=O)[C@@H]1CCN(CCC(=O)N(C)CCC#N)C1 92842738 GONIUULRKYKGGE-GFCCVEGCSA-N 316.427 -0.238 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2C[C@H]2OCC)CC1 171975972 IQOXRECSZUYQIB-ZIAGYGMSSA-N 307.394 -0.305 30 20 DBED CC(=O)NC[C@@H]1CN(CC(=O)N[C@@](C)(C#N)C2CC2)CCO1 172187126 RCIIAUZHEGANRG-HIFRSBDPSA-N 308.382 -0.368 30 20 DBED C=CCNC(=O)NC(=O)CN1CCN(c2nc(C)ns2)CC1 175003790 ABUJCZNLCOYGSW-UHFFFAOYSA-N 324.410 -0.020 30 20 DBED CN1CCC(CN(C)c2c(C#N)c(=O)n(C)c(=O)n2C)CC1 264244203 VUVUQJSXTNGTQY-UHFFFAOYSA-N 305.382 -0.266 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N1CC[C@@H](C)S(=O)(=O)CC1 277213716 WYUJDMWHROJGHW-GHMZBOCLSA-N 317.411 -0.104 30 20 DBED C#CCO[C@H](C)C(=O)N1CCN(CC(=O)N2CCCC2)CC1 294206389 BXSZHRXOQVTIRI-CQSZACIVSA-N 307.394 -0.209 30 20 DBED COCCN1C[C@@H](C(=O)Nc2nc(C#N)c(C#N)[nH]2)CC1=O 298473117 ZXOFLVHXEQRHBZ-QMMMGPOBSA-N 302.294 -0.414 30 20 DBED Cc1ncc(/C(O)=N/[C@H](C)C(=O)N2CCS(=O)(=O)CC2)[nH]1 328778296 LSNWUZREJQMRFO-MRVPVSSYSA-N 314.367 -0.332 30 20 DBED Cn1c(=O)c2c(ncn2C/C(O)=N/[C@@H]2[C@H]3COC[C@H]32)n(C)c1=O 330061252 NZKIDDBCDQXPHC-MBTKJCJQSA-N 319.321 -0.965 30 20 DBED CC(C)N1C[C@H](N/C(O)=N/C[C@H]2CN(C)CCN2C)CC1=O 330262273 UTNTWAIEUFXMST-OLZOCXBDSA-N 311.430 -0.255 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC[C@H](S(N)(=O)=O)C1 336956876 ZYRXSGZTJNQJPX-UWVGGRQHSA-N 324.428 -0.924 30 20 DBED C=CCN1CC[C@H](N2CCN(CC(=O)NCCOC)CC2)C1=O 337133468 MBMPGPMFJLHNIM-AWEZNQCLSA-N 324.425 -0.847 30 20 DBED CC(C)n1cc(C#N)c(NC(=O)C(=O)N[C@@H](C)C[C@H](C)O)n1 340851823 IYHGQJITHLQLEV-UWVGGRQHSA-N 307.354 0.550 30 20 DBED CCOCCOC[C@H](O)CNS(=O)(=O)c1ccc(C#N)o1 344764261 VIZFMLYLRKPRSK-SNVBAGLBSA-N 318.351 -0.156 30 20 DBED C[C@H](CO)N1CCCN(S(=O)(=O)N(C)CCC#N)CC1 345322224 BPVGJTHKEMYVCJ-GFCCVEGCSA-N 304.416 -0.535 30 20 DBED COCC[C@@H]1COCCN1S(=O)(=O)N1CCO[C@H](C#N)C1 360423838 ZDQIPLYQLGXGMS-VXGBXAGGSA-N 319.383 -0.807 30 20 DBED C#CCCS(=O)(=O)N1CC[C@H](n2cc(C(=O)OC)nn2)C1 377377626 HRIAKWBUZNDDLX-JTQLQIEISA-N 312.351 -0.335 30 20 DBED C=C(C)[C@H](CC(=O)N1CCN(S(=O)(=O)NC)CC1)OCC 412321479 PQALEJUWOAPSCA-LBPRGKRZSA-N 319.427 -0.034 30 20 DBED CCN(C(=O)Cn1cnc(C#N)n1)[C@@H](C)CS(=O)(=O)CC 426770751 VOYLWNCOYUJYID-JTQLQIEISA-N 313.383 -0.179 30 20 DBED C=CCNC(=O)c1ccc(NC(=O)C(=O)NC(CO)CO)cc1 490199376 HIWNDGKQJOUOMO-UHFFFAOYSA-N 321.333 -0.990 30 20 DBED C#CCN(C)C(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 491783935 OLYAVYKKAKTKAZ-JTQLQIEISA-N 323.374 -0.456 30 20 DBED N#CC1(NC(=O)Cn2cc(Br)c(O)nc2=O)CC1 523157988 BHVDJUKQRHQWJX-UHFFFAOYSA-N 313.111 -0.116 30 20 DBED CC[C@](C)(C#N)NC(=O)CN1CCN(S(C)(=O)=O)CC1 531841915 RXZDLTJHNCYBBM-GFCCVEGCSA-N 302.400 -0.628 30 20 DBED CCN(CCC#N)S(=O)(=O)N(CCN(C)C)CCN(C)C 554534049 BUNSFWBDFDITOB-UHFFFAOYSA-N 319.475 -0.108 30 20 DBED CN(CCC#N)C[C@H](O)CN[C@H]1CCCN(S(C)(=O)=O)C1 584405364 BPKJGIVBKAPGSK-QWHCGFSZSA-N 318.443 -0.794 30 20 DBED CC(C)C[C@H](C#N)NC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1 597073436 HUPLDKANNXZWNC-GHMZBOCLSA-N 302.400 -0.044 30 20 DBED CC#CC[C@H](CO)NC(=O)C(=O)Nc1cncc(N(C)C)c1 635203673 MIOHWEMWDJXNNW-LLVKDONJSA-N 304.350 -0.023 30 20 DBED C=C(C)Cn1cc(CNS(=O)(=O)N2CCNCC2)nn1 640803542 LZCOCVQCIZREHR-UHFFFAOYSA-N 300.388 -0.906 30 20 DBED CC#CC[C@@H](CO)NC(=O)c1cccc(CS(N)(=O)=O)c1 649188464 KYSABMYCBQOZNP-ZDUSSCGKSA-N 310.375 -0.021 30 20 DBED C#CCOc1cccc(NC(=O)C(=O)NCc2nn[nH]n2)c1 737268749 QTTRKRRTORICBV-UHFFFAOYSA-N 300.278 -0.533 30 20 DBED C#CCNC(=O)[C@@H](C)OC(=O)c1ccc(S(N)(=O)=O)s1 745252178 FYUNMQDMWOGSQE-SSDOTTSWSA-N 316.360 -0.310 30 20 DBED CN1N=C(C(=O)OCC(=O)N[C@@](C)(C#N)C2CC2)CCC1=O 753989872 KCCULSMDCNNHRK-AWEZNQCLSA-N 306.322 -0.054 30 20 DBED CC(C)[C@@](C)(C#N)NC(=O)COC(=O)[C@@H](C)NS(C)(=O)=O 758477472 PGEOBQMIJLTSMV-BXKDBHETSA-N 319.383 -0.478 30 20 DBED C#C[C@H](NC(=O)[C@@H](NS(C)(=O)=O)C(C)C)[C@H]1CCCO1 775325500 CHFKOUQUUPMJJR-TUAOUCFPSA-N 302.396 -0.143 30 20 DBED Cc1nn(C)c(-n2cccn2)c1C(=O)OCC(=O)NCC#N 778475224 HSWKDKWVLNQZEZ-UHFFFAOYSA-N 302.294 -0.289 30 20 DBED C#CCNS(=O)(=O)N1CCN([C@H](C)c2noc(C)n2)CC1 809968553 VLLHWXXHTMNMGL-SNVBAGLBSA-N 313.383 -0.476 30 20 DBED O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CC[C@@H](C(=O)O)C1 819691535 OQEOFRJQALNSFE-MMZVIXLHSA-N 307.306 -0.164 30 20 DBED N#Cc1cccnc1NCCNC(=O)[C@@H]1CC(=O)NC(=O)N1 823627819 VLGZYBWPXOIWNQ-VIFPVBQESA-N 302.294 -0.921 30 20 DBED C#CCN(CC(=O)O)S(=O)(=O)c1cnn([C@H]2CCOC2)c1 849219153 KCNXZAKPYXXCOA-JTQLQIEISA-N 313.335 -0.447 30 20 DBED C#CCCOC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 858886793 ULJJAHKGTNLQBD-UHFFFAOYSA-N 323.349 -0.851 30 20 DBED C#CCSCC(=O)OCC(=O)N1CCN(C(=O)C2CC2)CC1 885896513 IDDHFFDZTKOMBP-UHFFFAOYSA-N 324.402 -0.023 30 20 DBED CS(=O)(=O)N1CC(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1 900673593 UTYJFSYJOFPCKR-LBPRGKRZSA-N 312.395 -0.923 30 20 DBED C=CCCn1cc(C(=O)N[C@@H](CO)Cc2cnn(C)c2)nn1 911119620 CKOHTYCOWCKSBU-GFCCVEGCSA-N 304.354 -0.079 30 20 DBED C=CCN(C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)C(C)C 914682786 HQLQYRYPNHZHMR-UHFFFAOYSA-N 319.365 -0.143 30 20 DBED C#CCN1CCC[C@H](NC(=O)[C@](C)(O)Cn2ccccc2=O)C1 923561162 STPAUBXZSUGKMO-WMLDXEAASA-N 317.389 -0.187 30 20 DBED C=CCSCCNC(=O)C(=O)N1CCOC[C@H]1COC 929751891 BOLFSTLDPOXNQL-LLVKDONJSA-N 302.396 -0.104 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](N(C)C(=O)c2c[nH]c(C(N)=O)c2)C1 939406025 KGFLDDXEQDKHEB-GXSJLCMTSA-N 317.349 -0.054 30 20 DBED C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(C(=O)C#CC3CC3)C2)C1 942467059 KNVYJLJHVUILTB-TZMCWYRMSA-N 317.389 -0.015 30 20 DBED Cn1cc(C(=O)NC[C@@H]2CN(C(=O)C#CC3CC3)CCO2)cn1 944471251 UHSXJHILKIIAEO-CQSZACIVSA-N 316.361 -0.209 30 20 DBED C#CCN1C[C@H]2CCN(C(=O)C[C@@H]3CC(=O)NC3=O)CC[C@H]2C1 946915894 VSPRHONFOCROCV-MJBXVCDLSA-N 317.389 -0.157 30 20 DBED CC#CCN1CCC2(CC1)CN(C(=O)[C@@H]1CCC(=O)N1)CCO2 949233427 PMAUSTHYOHJOLZ-AWEZNQCLSA-N 319.405 -0.018 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@@H]2CCN2C(=O)[C@@H]2COC(=O)N2)c1 949283522 PMIKHSAROHIGKW-ONGXEEELSA-N 317.305 -0.675 30 20 DBED N#Cc1cc(C(=O)NC[C@@H]2CCN2C(=O)[C@H]2CCNC2=O)c[nH]1 949485306 CHZUWWRIVKYYHC-RYUDHWBXSA-N 315.333 -0.647 30 20 DBED C=C(Cl)CN1CCN(C(=O)Cn2c(O)nnc2O)CC1 957464683 LEPWVPXJMXVFMK-UHFFFAOYSA-N 301.734 -0.414 30 20 DBED Cn1nnc2cc(C(=O)NC[C@@H]3CN(CC#N)C[C@@H]3O)ccc21 958184053 UFQZJQCZCDFWME-RISCZKNCSA-N 314.349 -0.486 30 20 DBED N#CCN1C[C@@H](O)[C@H](CNC(=O)c2cnn3c2CCCC3)C1 958558342 GPSVYOKOALDVOK-BXUZGUMPSA-N 303.366 -0.235 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cnn3c2CCCC3)C1 958559718 SDFACXWRXHVQLC-SWLSCSKDSA-N 302.378 -0.125 30 20 DBED C#CCCN1C[C@H](CNC(=O)c2cnn(C)c2OC)[C@@H](O)C1 958624932 FUVCRNIKGLGVLY-AAEUAGOBSA-N 306.366 -0.526 30 20 DBED C#Cc1cncc(C(=O)NC2[C@@H]3CN(Cc4nnnn4C)C[C@@H]23)c1 961724566 VFCOVAOGPQWKEB-CHWSQXEVSA-N 323.360 -0.553 30 20 DBED N#CCN1C[C@H]2[C@H](NC(=O)[C@H]3CCc4nnnn4CC3)[C@H]2C1 961847569 PWWALKMFGKAWJA-MEWQQHAOSA-N 301.354 -0.804 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@H](NC(=O)[C@H]2CCCN2C)C1 961930750 GFYVZOFBQAJGKP-UPJWGTAASA-N 309.410 -0.019 30 20 DBED C=C(C)CN1C[C@H]2[C@H](NC(=O)c3nccnc3C(N)=O)[C@H]2C1 962513255 RVUCYTZMHBRVRU-URLYPYJESA-N 301.350 -0.188 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CN(C(=O)C(C)(C)C)C[C@@H]2O)nn1 963309375 CZRHAXGXRPKUCI-PWSUYJOCSA-N 321.381 -0.188 30 20 DBED C=CCCN1CC[C@@H](C)[C@@H](NC(=O)CN2CC(=O)NC2=O)C1 968430524 DPXABTDYZYVIQA-NEPJUHHUSA-N 308.382 -0.059 30 20 DBED Cn1cc(C(=O)N[C@H]2C[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)nn1 973995066 NWUQTKHYERCRHP-AOOOYVTPSA-N 313.321 -0.294 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]1CN(C)C(=O)c1cc(=O)n(C)o1 977637898 JEIRCLDTUUJVTP-UWVGGRQHSA-N 306.322 -0.189 30 20 DBED C#CCN1C[C@H]2[C@H](CNC(=O)c3cn4c(n3)COCC4)[C@H]2C1 978341478 VDWQYHCRTRXWIX-XYYAHUGASA-N 300.362 -0.046 30 20 DBED CN(C)C(=O)Cn1cc(C(=O)N2CC[C@@H](N(C)CC#N)C2)nn1 980483554 QXGUKICCGFCWFX-LLVKDONJSA-N 319.369 -0.964 30 20 DBED C#Cc1ccc(C(=O)N2CCC[C@@H](N(C)C(=O)C(N)=O)C2)cn1 984437907 ACBLOCGHEYNNOG-CYBMUJFWSA-N 314.345 -0.389 30 20 DBED C=C(Cl)CN1CCCN(C(=O)[C@@H]2CCS(=O)(=O)N2)CC1 989688573 XUBZXWXCXOWVTL-NSHDSACASA-N 321.830 -0.035 30 20 DBED N#Cc1ccc(C(=O)NC2CN(C(=O)CO[C@@H]3CCOC3)C2)[nH]1 990888034 QDBGRFQSTIAFRR-GFCCVEGCSA-N 318.333 -0.368 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN(C(=O)c2cnc(C)[nH]2)C1 994752796 VRPPJQVBWVYPMK-AWEZNQCLSA-N 315.377 -0.244 30 20 DBED C=CCN[C@@H]1CN(C(=O)CCn2cc[nH]c(=O)c2=O)CC1(C)C 996420940 YRWARDGGSDGCPV-GFCCVEGCSA-N 320.393 -0.061 30 20 DBED N#CCN1CC[C@H](n2cc(CNC(=O)c3cnns3)nn2)C1 999957587 WCNLGFFWABUCCR-JTQLQIEISA-N 318.366 -0.170 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2CCN([C@@H]3CCCNC3=O)C2)[nH]1 1010647417 YVNDZHXGEGZCFJ-WCQYABFASA-N 301.350 -0.031 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2CCN(CC(=O)N3CCC3)C2)[nH]1 1010647947 CMBALBMLWWNHKH-LBPRGKRZSA-N 301.350 -0.077 30 20 DBED C[C@H]1[C@H](NC(=O)c2cnnn2C)CCN1C(=O)C#CC1CC1 1011739929 WVXQNYNTGZUULI-CMPLNLGQSA-N 301.350 -0.052 30 20 DBED N#Cc1cc(C(=O)NC2[C@H]3CN(C(=O)Cn4cccn4)C[C@H]23)c[nH]1 1012978382 KDYYKVOTTCMPEA-STQMWFEESA-N 324.344 -0.030 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H]2C(NC(=O)[C@H]3C[C@H]3C(N)=O)[C@H]2C1 1013806988 JAIJWZVIKLROCW-RCWTZXSCSA-N 305.378 -0.107 30 20 DBED CC#CCN1CC[C@@H](NC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 1015367969 GQUPIQCRQVLWSV-YPMHNXCESA-N 301.350 -0.421 30 20 DBED C[C@H](C#N)C(=O)N1CC=C(CNC(=O)[C@@H]2CCCNC2=O)CC1 1017513938 GNAXVAXWSKTESI-DGCLKSJQSA-N 318.377 -0.053 30 20 DBED C#CCN1CC[C@@H]2[C@H](CCCN2C(=O)CN2CCOCC2=O)C1 1021605136 KIZJJBZTDNCVNC-HUUCEWRRSA-N 319.405 -0.209 30 20 DBED CCN(C(=O)c1nc(O)nc(O)c1OC)[C@H]1CCN(CC#N)C1 1034019732 YFQFQGDCDZXDPZ-VIFPVBQESA-N 321.337 -0.044 30 20 DBED CC#CCN1CC[C@H]2CN(C(=O)C3CC(=O)NC(=O)C3)CC[C@@H]21 1036842352 NUQXTDRUNFGEGC-JSGCOSHPSA-N 317.389 -0.015 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)Cc2ccc[nH]2)C1 1039877395 FUSZFVAGZXWTBS-IAQYHMDHSA-N 304.350 -0.204 30 20 DBED C[C@H]1[C@@H](N=c2cc[nH]c(C#N)n2)CCN1C(=O)[C@H]1CCNC1=O 1040213661 TTWJPGMTORVMAG-DCAQKATOSA-N 314.349 -0.692 30 20 DBED C=CCCC(=O)N1CC[C@](O)(CNC(=O)[C@H](C)CC(N)=O)C1 1040476476 MAPOWJPQSCAGFY-ABAIWWIYSA-N 311.382 -0.456 30 20 DBED C[C@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)c2cccn2C)C1 1040759363 AEXSXMKIOPYWOE-ABAIWWIYSA-N 304.350 -0.122 30 20 DBED Cn1cc(C(=O)NCC2(O)CN(C(=O)C#CC3CC3)C2)cn1 1041412965 OOOCOFDMGYSHSB-UHFFFAOYSA-N 302.334 -0.863 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)CC(C)(C)O)C1 1042040671 XIETWTMKMOMRMU-UHFFFAOYSA-N 300.355 -0.961 30 20 DBED CC#CCN1CC[C@@H]2CCN(C(=O)c3nnc(O)nc3O)C[C@@H]21 1042135389 VBPCYBCKPANEIR-MNOVXSKESA-N 317.349 -0.158 30 20 DBED N#Cc1cc(C(=O)NCC2(O)CN(C(=O)c3ncc[nH]3)C2)c[nH]1 1042669227 IZYNYOGBMFPVQJ-UHFFFAOYSA-N 314.305 -0.774 30 20 DBED CO[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1NC(=O)[C@H]1CCOC1 1042779616 SFIXZIGWUZUNGP-CYZMBNFOSA-N 317.349 -0.295 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)c2cccnc2)C1 1043040964 CZADTFWVQGLIJP-GFCCVEGCSA-N 317.345 -0.577 30 20 DBED C=CCCOCC(=O)NCC1(O)CN(C(=O)COCC=C)C1 1043566579 VVPYFUUDIXFNNE-UHFFFAOYSA-N 312.366 -0.529 30 20 DBED C=CCN1CC(N(C)C(=O)C2(n3cnnn3)CCOCC2)C1 1044030657 NLSMXZTYCIGRKT-UHFFFAOYSA-N 306.370 -0.493 30 20 DBED C=C1CC(C)(C(=O)N2CC(O)(CNC(=O)[C@@H]3[C@H]4COC[C@H]43)C2)C1 1045018020 QWFBOXZNKJLQGU-ITGUQSILSA-N 320.389 -0.075 30 20 DBED C[C@]1(NC(=O)[C@H]2CN3CC4CC3(CO2)C4)CCN(CC#N)C1 1046501072 IQWXHQQVNLKROE-QSTLKDOJSA-N 304.394 -0.046 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2cc(OC)ncn2)C1 1047381642 PIGYVSSWERSENK-STQMWFEESA-N 304.350 -0.374 30 20 DBED COc1cccnc1CC(=O)N(C)[C@H]1CN(CC#N)C[C@@H]1O 1047503901 PKZIYOWJBMZOQU-STQMWFEESA-N 304.350 -0.340 30 20 DBED Cn1nnc2cccc(C(=O)NC[C@@H]3COCCN3CC#N)c21 1051270328 LTXLXPUAXYIQNE-LLVKDONJSA-N 314.349 -0.078 30 20 DBED N#Cc1nccc(N2CC[C@@H](NC(=O)c3ccon3)[C@H](O)C2)n1 1051631985 NCJVIBUPWVSRNJ-MWLCHTKSSA-N 314.305 -0.294 30 20 DBED CC#CCN1CCN([C@H]2CCN(C(=O)[C@@H]3COCCO3)C2)CC1 1051989008 BJVJONDQPNJKGA-HOTGVXAUSA-N 321.421 -0.356 30 20 DBED C=CCN1CCC[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)CC1 1052427683 BJLMVPBANPOHKN-ZDUSSCGKSA-N 320.393 -0.296 30 20 DBED C[C@@H](c1nnnn1C)N1CC2(CN(C(=O)[C@H](C)C#N)CCO2)C1 1053192153 XHNCCTXKQACAJB-MNOVXSKESA-N 319.369 -0.656 30 20 DBED C[C@H]1CCN(C(=O)C(=O)N2CCOC3(CN(CC#N)C3)C2)C1 1053501869 BHQQIJIETLQYTB-LBPRGKRZSA-N 306.366 -0.708 30 20 DBED C[C@H](C(N)=O)N1CC2(C[C@@H](NC(=O)c3ccc(C#N)[nH]3)CO2)C1 1053774289 WWZFPASEUOJPPH-MWLCHTKSSA-N 317.349 -0.667 30 20 DBED C=C(C)CCN1CC2(C[C@H](NC(=O)Cn3ncnn3)CO2)C1 1053802916 GUHRNXOGUUQJSX-LBPRGKRZSA-N 306.370 -0.401 30 20 DBED COc1c(C(=O)N[C@@H]2COC3(C2)CN(CC#N)C3)c(C)nn1C 1053945474 XKDAHHRNWZWERP-NSHDSACASA-N 319.365 -0.166 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)C(C)(C)N3CCOCC3)CO2)C1 1053957232 XLIAINVSLVVGIB-AWEZNQCLSA-N 321.421 -0.310 30 20 DBED Cn1ncc(C(=O)N[C@H]2[C@@H]3CN(c4ccc(C#N)nc4)C[C@@H]32)n1 1056257344 PVRMAICJNOXQFC-IMRBUKKESA-N 309.333 -0.054 30 20 DBED N#Cc1cnc(N2C[C@@H]3C(NC(=O)C45CCN(CC4)C5)[C@H]3C2)cn1 1056265988 KLWHMBXZVDSDMJ-STQMWFEESA-N 324.388 -0.005 30 20 DBED C=C[C@](C)(CC)C(=O)NCCN(CCO)C(=O)CNC(C)=O 1056815809 CSCKUABLXUGOPV-OAHLLOKOSA-N 313.398 -0.338 30 20 DBED O=C(C#CC1CC1)NCCN(CCO)C(=O)c1cnns1 1057090544 RJKRVNVEJHEGJR-UHFFFAOYSA-N 308.363 -0.498 30 20 DBED C=CCCO[C@H](C)C(=O)N(CCO)CCNC(=O)COCC 1057143915 DZXYKBZGRNBJON-CYBMUJFWSA-N 316.398 -0.059 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)[C@@H](C)S(C)(=O)=O 1057174848 KIAOVOIEMWIOJK-LLVKDONJSA-N 320.411 -0.677 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)C1CCN(C)CC1 1057994266 PSMBIVKWOXRYMR-UHFFFAOYSA-N 323.437 -0.075 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)Cc1nonc1C 1058688146 HWWOXYXGXBALBA-UHFFFAOYSA-N 310.354 -0.176 30 20 DBED C=CCCC1(C(=O)N(CCO)CCNC(=O)CC(N)=O)CC1 1058726524 ASMBYTFUTAZRQR-UHFFFAOYSA-N 311.382 -0.455 30 20 DBED C=C(C)C[C@H](C)C(=O)NCCN(CCO)C(=O)Cn1cncn1 1058885316 LFEZVFRQGYMOJO-ZDUSSCGKSA-N 323.397 -0.183 30 20 DBED N#Cc1cccnc1NC[C@H]1CCN(C(=O)Cn2ncnn2)C1 1060927208 KGTFOXHTCOFKJE-LLVKDONJSA-N 312.337 -0.100 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)Cc1cnn(C)c1 1061845601 JNPCHUCXBLAFLT-YPMHNXCESA-N 319.365 -0.534 30 20 DBED CN(C(=O)[C@H]1C[C@H]1C(N)=O)[C@H]1CCN(c2ccc(C#N)nn2)C1 1063031737 FFIUQHURRNEPDX-TUAOUCFPSA-N 314.349 -0.493 30 20 DBED C=CCO[C@@H](C)C(=O)NCC1(NC(=O)CNC(N)=O)CCC1 1063425340 FCCASJUHOVLTGI-JTQLQIEISA-N 312.370 -0.599 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCO[C@@H](CNC(=O)c2cc[nH]n2)C1 1065095281 APQIRKBPKMJTMW-XHDPSFHLSA-N 322.365 -0.306 30 20 DBED CC(C)C#CC(=O)N1CCO[C@H](CNC(=O)[C@H]2CCC(=O)N2)C1 1065129756 JFVZVEBIFXOMRF-CHWSQXEVSA-N 321.377 -0.732 30 20 DBED C=CC(C)(C)C(=O)N1CCO[C@H](CNC(=O)C2(C(N)=O)CC2)C1 1065422447 YVPXEQIKAOVOJR-LLVKDONJSA-N 323.393 -0.192 30 20 DBED C#CCCCC(=O)N[C@@H]1CCCN(C(=O)CNC(N)=O)CC1 1066096900 HUFKYFDVMXKGAM-GFCCVEGCSA-N 308.382 -0.045 30 20 DBED C=C[C@@](C)(O)CC(=O)N(C)CCCN(C)C(=O)Cc1nc[nH]n1 1067292705 VOPOEXHKDJVQJH-OAHLLOKOSA-N 323.397 -0.019 30 20 DBED N#Cc1nc(=NCC2CC(NC(=O)Cn3cccn3)C2)cc[nH]1 1067828715 TWRSRVFMMSWNGI-UHFFFAOYSA-N 311.349 -0.026 30 20 DBED N#CCN1CCn2ncc(CNC(=O)c3ccc(O)nn3)c2C1 1069852598 YRAYLOIKNPDTED-UHFFFAOYSA-N 313.321 -0.352 30 20 DBED C#CCN1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2COC(=O)N2)C1 1070407965 KNUDTMVRRVWLPJ-ZYHUDNBSSA-N 317.349 -0.443 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CCCN(C(=O)Cn2cnnn2)C1 1070410409 FKRRXHKSDIDPEG-BXUZGUMPSA-N 322.369 -0.893 30 20 DBED C#CCN[C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2COC(=O)N2)CC1 1071053218 ITRVWNJKUZKNKQ-MCIONIFRSA-N 321.377 -0.286 30 20 DBED C=C(C)CN1CCN([C@@H]2CCCN(C(=O)CC(N)=O)C2)C(=O)C1 1071259117 YTCIQYHTCRDFJB-CYBMUJFWSA-N 322.409 -0.427 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3nncn3C2)C1 1078219820 OJJYZKBMQAZOMY-YNEHKIRRSA-N 305.382 -0.422 30 20 DBED C[C@@H](CCNC(=O)Cc1nc[nH]n1)NC(=O)CSCC#N 1078593024 RGRPGWXMYXPLFG-VIFPVBQESA-N 310.383 -0.385 30 20 DBED C#CCNC(=O)CC(=O)N(CC)C1CN(C(=O)[C@H]2C[C@H]2C)C1 1079644742 RARMYTWTCWZAJD-YPMHNXCESA-N 305.378 -0.159 30 20 DBED Cc1nn[nH]c1C(=O)N1CCC(CO)(NC(=O)[C@H](C)C#N)CC1 1080983109 FLGPHHDRFQPPFH-SECBINFHSA-N 320.353 -0.644 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H](O)[C@H](CNC(=O)CCCC)C1 1081270827 MSDPPIFEGTXYQQ-OLZOCXBDSA-N 323.393 -0.748 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@@H]1O 1081441581 JOYXADFXIOTTKY-YPMHNXCESA-N 319.365 -0.832 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)COCC=C)C[C@@H]1O 1081442206 RWUDVNKUPJHWOM-KBPBESRZSA-N 308.378 -0.072 30 20 DBED C=CCCOCC(=O)NC[C@H]1CN(C(=O)c2cnon2)C[C@H]1O 1081569993 WNYUOZSSWYKQKR-CMPLNLGQSA-N 324.337 -0.789 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)C[C@@H]1CCC(=O)N1C 1083161633 LVGXQTIIUOITJO-SOUVJXGZSA-N 319.405 -0.068 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CCC(=O)N(C)C1 1083285176 IJASFTAVVFLVKD-HZSPNIEDSA-N 305.378 -0.600 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCc3cnc(C)n3C2)C1 1083731853 QRTCFMCQTNYQBS-CFVMTHIKSA-N 302.378 -0.452 30 20 DBED N#CCN1C[C@@H](NC(=O)Cn2ncnn2)[C@H](c2ccccc2)C1 1086587865 QZSRDKLSGDHKHW-UONOGXRCSA-N 311.349 -0.219 30 20 DBED Cc1c(C(=O)N[C@H]2CCN(CC#N)C[C@H]2O)nn2c1OCCC2 1090313875 UJJPZAFZPBFSIU-NWDGAFQWSA-N 319.365 -0.337 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1O 1090445671 NRFWPSIPAWJGKQ-CYZMBNFOSA-N 317.349 -0.395 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2ccc(C(N)=O)cc2)[C@@H](O)C1 1090803223 ZFJKRSFYEABHSU-GJZGRUSLSA-N 315.373 -0.026 30 20 DBED C=CCCN1CC[C@H](NC(=O)c2ccc(C(N)=O)nc2)[C@H](O)C1 1090851650 HAAJDIAITQPREX-GXTWGEPZSA-N 318.377 -0.078 30 20 DBED C=CCCC(=O)N[C@@H]1CN(c2nc(C)nc(N(C)C)n2)C[C@@H]1O 1091075036 PSGRLBLELGDRIW-NEPJUHHUSA-N 320.397 -0.122 30 20 DBED N#Cc1nc(=N[C@H]2C[C@@H](CNC(=O)C3(C(N)=O)CC3)C2)cc[nH]1 1091395018 FPJHRWPACAFHHL-AOOOYVTPSA-N 314.349 -0.658 30 20 DBED CC[C@@H]1[C@@H](NC(=O)CNC(C)=O)CCN1c1cncc(C#N)n1 1091752330 GCNOJSOADCPKAM-QWHCGFSZSA-N 316.365 -0.042 30 20 DBED C#CCN1C[C@@H](C)[C@H](CNC(=O)[C@H]2CCc3nnnn3CC2)C1 1092983104 FYFIFGAPVYJDGZ-HZSPNIEDSA-N 316.409 -0.057 30 20 DBED C[C@@H](CC(N)=O)C(=O)N1CCN(c2nccnc2C#N)CC1 1093194512 ONPQCEALEIWSQZ-JTQLQIEISA-N 302.338 -0.492 30 20 DBED COC(=O)NCC(=O)NC1[C@@H]2CN(c3ccc(C#N)cn3)C[C@@H]12 1093240294 UCVIWPNKKXBJMF-GHMZBOCLSA-N 315.333 -0.140 30 20 DBED CCN1CCOC[C@H]1C(=O)NCCN=c1cc[nH]c(C#N)n1 1093978019 SZICQPJDRVZGGV-NSHDSACASA-N 304.354 -0.981 30 20 DBED Cc1nc(NCCNC(=O)[C@@H]2CN(C)C(=O)N2)ccc1C#N 1094060710 POMIYWNCIRESCW-NSHDSACASA-N 302.338 -0.187 30 20 DBED C=CCN1CC[C@@H](N2CC(N3C[C@H](NC(C)=O)CC3=O)C2)C1=O 1094686981 HBRGNKXBIYIHMI-TZMCWYRMSA-N 320.393 -0.806 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)Cc3ccnn3C)CC2=O)C1 1094730667 HKTBXGGCETXXPU-GFCCVEGCSA-N 317.393 -0.450 30 20 DBED CN1CC(=O)N(CC(=O)N2C[C@H]3C[C@H](NCC#N)C[C@H]2C3)C1=O 1095052710 YCKUHGIYLXAUIK-SDDRHHMPSA-N 319.365 -0.627 30 20 DBED C[C@@H](CC(=O)N[C@@H]1CCN(c2ccnc(C#N)n2)C1)NC(N)=O 1096439979 PKQAVJUGOWJKGO-VHSXEESVSA-N 317.353 -0.510 30 20 DBED CC[C@H](NC(C)=O)C(=O)N[C@H]1CCN(c2cnc(C#N)cn2)C1 1096484980 DMEADZVXSRWOEB-AAEUAGOBSA-N 316.365 -0.042 30 20 DBED CCC(=O)NCC(=O)NC[C@@H](N=c1cc[nH]c(C#N)n1)C1CC1 1096599560 BVFQQKFPOWABJL-LLVKDONJSA-N 316.365 -0.397 30 20 DBED C[C@@H](CNC(=O)CN1CCCC1=O)Nc1cnc(C#N)cn1 1097697009 RFJWPRJVLUGLJW-JTQLQIEISA-N 302.338 -0.113 30 20 DBED Cc1cc(=N[C@H](C)CNC(=O)[C@@H]2CNC(=O)N2)c(C#N)c[nH]1 1098251711 YMGAOBSATIVMOC-SKDRFNHKSA-N 302.338 -0.718 30 20 DBED N#CCNCc1cn([C@@H]2CCN(C(=O)Cc3cc[nH]n3)C2)nn1 1098641045 PQZYZGHEYKSBQM-CYBMUJFWSA-N 314.353 -0.370 30 20 DBED Cc1c(C(=O)NCC[C@H](C)N=c2cc[nH]c(C#N)n2)nnn1C 1098994204 KPEYHQMWOFDCGC-VIFPVBQESA-N 314.353 -0.172 30 20 DBED C#CCOCCC(=O)NCC[C@@H](C)Nc1nccn2nnnc12 1099515980 NEEGEXQFXUUGLH-LLVKDONJSA-N 317.353 -0.134 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2ccc(C)nn2)[C@@H](O)C1 1099813629 RSLNGXKPNRJVSH-ZFWWWQNUSA-N 318.377 -0.400 30 20 DBED CC(C)NC(=O)CN1CC[C@@H](NC(=O)C#CC2CC2)[C@H](O)C1 1099826331 JKUCJQVYWSNPPB-ZIAGYGMSSA-N 307.394 -0.524 30 20 DBED CCC[C@@H](NC(N)=O)C(=O)NCC1CC(NCC#CCOC)C1 1100918475 YAFWPTAJOUMIOY-JXQTWKCFSA-N 324.425 -0.042 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)CNC(=O)C1CC1 1101505879 BVLURFXXCHJZJZ-UHFFFAOYSA-N 302.338 -0.833 30 20 DBED C#CCNC(=O)CC(=O)N(C)CCNc1ccc([N+](=O)[O-])cn1 1101551221 ZGLFXXCDCNYNCX-UHFFFAOYSA-N 319.321 0.000 30 20 DBED C[C@@H](CC(=O)N(C)CCN=c1cc[nH]c(C#N)n1)NC(N)=O 1101785836 LKVCAFFNXONVBM-VIFPVBQESA-N 305.342 -0.913 30 20 DBED CN(CCNc1ncccc1C#N)C(=O)C1CS(=O)(=O)C1 1101794598 PWNUNTDYFZBGDI-UHFFFAOYSA-N 308.363 -0.132 30 20 DBED COCC(=O)NCCC(=O)N(C)CCNc1ccc(C#N)nn1 1102004590 WETJYXGFJZZOCI-UHFFFAOYSA-N 320.353 -0.629 30 20 DBED CC[C@@H](CNC(=O)[C@@H]1CCC(=O)N1)N=c1cc[nH]c(C#N)n1 1103144171 QLAPHBJWQPPFEW-UWVGGRQHSA-N 302.338 -0.645 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CN(c2cncc(C#N)n2)CCO1 1104302542 XOALSBBZLMLNLD-JQWIXIFHSA-N 300.322 -0.171 30 20 DBED C=CCNCc1cn(C2CN(C(=O)[C@@H]3C[C@H]3C(=O)OC)C2)nn1 1105188185 RAOSLJQYJQDWJV-CHWSQXEVSA-N 319.365 -0.254 30 20 DBED CCN(CC)CC(=O)N1CC(n2cc(CNCC#N)nn2)C1 1105348247 ZQDDASRLGDYSFO-UHFFFAOYSA-N 305.386 -0.384 30 20 DBED CN(CCN(C)c1nccnc1C#N)C(=O)C[C@H]1CCNC1=O 1105483355 KWVIROVGMZTNCK-LLVKDONJSA-N 316.365 -0.231 30 20 DBED C#CCCCC(=O)NC[C@H](O)CNc1cc(C)nc(CO)n1 1105795790 HONLLARPWDSILZ-GFCCVEGCSA-N 306.366 -0.030 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)Cc2ccc[nH]2)nn1 1105863849 SYRNVEHMOAHFOO-GFCCVEGCSA-N 300.322 -0.192 30 20 DBED CCN(CC)CC(=O)NC[C@H](O)CNc1ccc(C#N)nn1 1105869077 LSLCWKCJYHBGSD-GFCCVEGCSA-N 306.370 -0.421 30 20 DBED COC[C@H](C)CC(=O)NC[C@H](O)CNc1cncc(C#N)n1 1105941427 XQZUYJQFAXFTNZ-ZYHUDNBSSA-N 307.354 -0.090 30 20 DBED CN(C)[C@@H](C(=O)NC[C@@H](O)CNc1ccc(C#N)nn1)C1CC1 1105995109 MXSYKEMBSHTCSC-GXTWGEPZSA-N 318.381 -0.423 30 20 DBED N#Cc1nc(=NC[C@H](O)CNC(=O)c2ccsn2)cc[nH]1 1106009706 FSBNKOJDIYNVQZ-QMMMGPOBSA-N 304.335 -0.571 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](O)CNC(=O)[C@@H](C)CC(N)=O)n1 1106060090 NLJZEPYUBDQGTC-KWQFWETISA-N 320.353 -0.943 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)[C@H](C)OCC#C)C[C@H]1C 1106111061 GKPOPYMXNDDUIW-QLFBSQMISA-N 319.405 -0.542 30 20 DBED CCN(CCN=c1cc(C)[nH]cc1C#N)C(=O)c1nnn(C)n1 1106918360 DYSGRHVDIRHTGV-UHFFFAOYSA-N 314.353 -0.219 30 20 DBED CC(=O)NCC(=O)NC/C=C\CNc1nc(C)cc(C#N)n1 1107010437 BMLAJDKOUIIWHW-ARJAWSKDSA-N 302.338 -0.123 30 20 DBED C[C@H](NC(N)=O)C(=O)NC/C=C/CNc1cncc(C#N)n1 1107169199 YMUJOAJHPVVWMV-HPOULIHZSA-N 303.326 -0.511 30 20 DBED C#CCO[C@@H](C)C(=O)NCc1cn(C2CN(CCCO)C2)nn1 1107169375 FDPRRKVKRISGQR-LBPRGKRZSA-N 321.381 -0.828 30 20 DBED CC(C)(C(N)=O)C(=O)NC/C=C\CNc1nccnc1C#N 1107386429 IGAOXEQBOMCNRB-ARJAWSKDSA-N 302.338 -0.056 30 20 DBED CC#CCN1CCO[C@](C)(CNC(=O)CCn2cncn2)C1 1107743797 YOZPVSSERUNLOC-OAHLLOKOSA-N 305.382 -0.101 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@]1(C)CN(Cc2nnnn2C)CCO1 1107818900 IDZXRMGKJVGVOR-GWCFXTLKSA-N 307.358 -0.923 30 20 DBED C[C@]1(CNC(=O)CCN2CCOCC2)CN(CC#N)CCO1 1108279980 LGOJAMZEGVMNSW-HNNXBMFYSA-N 310.398 -0.561 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)CCCN(C)C)CC2=O)C1 1108567062 UJOCPKVBLXJYCP-ZDUSSCGKSA-N 308.426 -0.085 30 20 DBED C[C@@H](CN(C)c1ccnc(C#N)n1)NC(=O)C[C@@H]1CCC(=O)N1 1109006779 LEWDSTXPUKUJMF-QWRGUYRKSA-N 316.365 -0.042 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@@H]1CCOC1 1109175274 DCINDVYILZYBDO-XGUBFFRZSA-N 319.405 -0.116 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H](C)NS(=O)(=O)CC 1109313834 UBCPGWQURSYEJR-NDBYEHHHSA-N 313.423 -0.331 30 20 DBED CN(CCCN=c1cc[nH]cc1C#N)C(=O)[C@H]1COC(=O)N1 1109424829 VYGWLCHSPAFSSQ-GFCCVEGCSA-N 303.322 -0.256 30 20 DBED Cc1cc(=NCCCN(C)C(=O)c2nnn(C)n2)c(C#N)c[nH]1 1109587945 GWJBVGWDKZTAQY-UHFFFAOYSA-N 314.353 -0.219 30 20 DBED C[C@@]1(CNc2cnc(C#N)cn2)CCN(C(=O)CNC(N)=O)C1 1110829192 SPTZIZGGUDINIY-AWEZNQCLSA-N 317.353 -0.333 30 20 DBED N#Cc1nccnc1N1CCC[C@H](NC(=O)CC(N)=O)CC1 1111977853 NURIYGSUJWKTKA-JTQLQIEISA-N 302.338 -0.301 30 20 DBED CC(=O)NCC(=O)N(C)CCCN(C)c1ccc(C#N)nn1 1112028617 WRRLHFYROHTOAG-UHFFFAOYSA-N 304.354 -0.231 30 20 DBED C#CCO[C@@H](C)C(=O)NC1(CO)CCN(c2ncccn2)CC1 1112668713 YDSUWRGQJSVUTN-ZDUSSCGKSA-N 318.377 -0.038 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(c2cnc(F)cn2)C[C@H]1O 1112721055 UJNGNGZQAUHSOD-NWDGAFQWSA-N 304.325 -0.058 30 20 DBED C#CCOCCC(=O)N1CCN(C[C@@H](O)Cn2cccn2)CC1 1112844778 FVZYXROJZXLLAP-OAHLLOKOSA-N 320.393 -0.572 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)C(C)(C)C(N)=O)CC1 1112985881 RYLIUPYATGASFG-NSHDSACASA-N 310.398 -0.667 30 20 DBED C[C@H](Nc1ccc(C#N)nn1)[C@@H](C)NC(=O)Cn1ncnn1 1113193902 MWMCFCYMQIUCQE-DTWKUNHWSA-N 301.314 -0.660 30 20 DBED C=CCN1CC[C@@H](N2CCN(C(=O)[C@@H](C)CC(N)=O)CC2)C1=O 1113196452 RTZBYERRTNJEFM-QWHCGFSZSA-N 322.409 -0.571 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)[C@@H](OC)C(C)C)CC1 1113297986 RMGQMDVZJXYBSJ-KGLIPLIRSA-N 309.410 -0.061 30 20 DBED C#Cc1ccccc1CC(=O)N1CCN(CC(=O)NCC#N)CC1 1113580069 BPNKSUIPRMWWKS-UHFFFAOYSA-N 324.384 -0.006 30 20 DBED Cc1nn(C)c(F)c1C(=O)N1CCN(CC(=O)NCC#N)CC1 1113589836 HFRAZFLZSNXPGE-UHFFFAOYSA-N 322.344 -0.735 30 20 DBED CCc1onc(C)c1C(=O)N1CCN(CC(=O)NCC#N)CC1 1113620508 AQAKQGVLHBBHAI-UHFFFAOYSA-N 319.365 -0.057 30 20 DBED COCC#CCN1CCN(C(=O)CS(=O)(=O)C(C)C)CC1 1113644158 IZKPAUFODKHMRU-UHFFFAOYSA-N 316.423 -0.396 30 20 DBED C[C@@H](CNC(=O)[C@@]1(C)CNC(=O)C1)N(C)c1nccnc1C#N 1113783917 PZCPYFOEOCXKRA-ZUZCIYMTSA-N 316.365 -0.185 30 20 DBED C=CCOCCN1C[C@@H]2C(NC(=O)CN3CCOCC3)[C@H]2C1 1114147062 PCPJXAXJXJDOQW-KBPBESRZSA-N 309.410 -0.432 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@@H](C3CC3)N(C)C)[C@H]2C1 1114409054 FTVSFOLTHYJQBQ-BFJAYTPKSA-N 320.437 -0.325 30 20 DBED CC1(C)CN(c2cncc(C#N)n2)C[C@H]1NC(=O)CNC(N)=O 1114424429 XJWWZUZWEQNEIY-SNVBAGLBSA-N 317.353 -0.652 30 20 DBED COCC#CCN1C[C@@H]2C(NC(=O)CCCCNC(N)=O)[C@H]2C1 1114535456 IEINVJOUVAXPRB-STQMWFEESA-N 322.409 -0.479 30 20 DBED C[C@H](CN(C)C(=O)[C@H]1CCC(=O)N1)N=c1cc[nH]c(C#N)n1 1115656088 AIOHIHWJCXGQMP-NXEZZACHSA-N 302.338 -0.692 30 20 DBED C#CCN1CCC(C(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)CC1 1116203330 GGYMXYRGOPWNKB-GFCCVEGCSA-N 304.350 -0.906 30 20 DBED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1ccn(CCCOC)n1 1116908340 OLPMXSMEMWVUMY-GFCCVEGCSA-N 322.365 -0.251 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)N2CC[C@@H](CCCO)C2)C1 1118250765 XKKGLIOIBMKOPT-DOMZBBRYSA-N 309.366 -0.516 30 20 DBED COC1(CO)CCN(C(=O)C(=O)NCC2(CC#N)CC2)CC1 1118387663 UTAFBHORGJIEOS-UHFFFAOYSA-N 309.366 -0.204 30 20 DBED Cc1nnsc1C(=O)NC[C@H](CO)Nc1cnc(C#N)cn1 1121030278 DZEQQFAQAMOIQZ-SECBINFHSA-N 319.350 -0.289 30 20 DBED CC(=O)CCCC(=O)NC[C@@H](CO)Nc1cncc(C#N)n1 1121051409 ZAHPDAJBXFEJGD-LBPRGKRZSA-N 305.338 -0.003 30 20 DBED Cn1cc(C(=O)NC[C@H](CO)Nc2ncccc2C#N)nn1 1121432369 MABZSGPCJCZSSL-SNVBAGLBSA-N 301.310 -0.715 30 20 DBED Cc1ccnc(C(=O)NC[C@H](CO)Nc2ccc(C#N)nn2)n1 1121505247 LODSFILVXGPUGH-LLVKDONJSA-N 313.321 -0.351 30 20 DBED C#CCNC(=O)C1CCN(c2nnc(CO)n2CC=C)CC1 1121701467 XAEZGVHYCXKBNS-UHFFFAOYSA-N 303.366 -0.078 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)C23CCN(CC2)C3)cn1 1121805857 FKIAHYHXSHTWCC-AWEZNQCLSA-N 315.377 -0.062 30 20 DBED C#CCOCCC(=O)NC[C@@H](CO)Nc1cc(C)nc(OC)n1 1122026577 DJWAGLIDQRDQMT-LBPRGKRZSA-N 322.365 -0.277 30 20 DBED COCC1(C(=O)NC[C@@H](CO)Nc2cncc(C#N)n2)CC1 1122246170 LQTOBJBDOLNFCD-NSHDSACASA-N 305.338 -0.336 30 20 DBED Cc1ncc(C(=O)NC[C@H](CO)Nc2cncc(C#N)n2)n1C 1122404708 BKQREFUUZRFWOP-LLVKDONJSA-N 315.337 -0.407 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H](CO)CNC(=O)c1csc(O)n1 1122430423 NXAFMBXDFZBYDV-SECBINFHSA-N 319.346 -0.260 30 20 DBED C[C@H](C#N)C(=O)NCCN[C@H](C)C(=O)NC(=O)NC(C)(C)C 1124895318 FYBJZIXUGCAMMO-NXEZZACHSA-N 311.386 -0.135 30 20 DBED CO[C@@H](C)C(=O)N(C)C[C@@H](O)CN(C)c1nccnc1C#N 1124956980 GPQQCLJOCJVKRW-QWRGUYRKSA-N 307.354 -0.361 30 20 DBED C[C@H](C#N)C(=O)N(C)CCOCCN=c1cc[nH]c(C#N)n1 1127259289 QZPQVYRVASUXPV-LLVKDONJSA-N 302.338 -0.183 30 20 DBED CC(C)C#CC(=O)NCc1nc([C@H]2COCCN2CCO)n[nH]1 1130842110 DTOTVCGLZFLEBM-GFCCVEGCSA-N 321.381 -0.554 30 20 DBED C#CCCCC(=O)NCc1nc([C@H]2COCCN2CCO)n[nH]1 1130845657 MCBCALLJZBIWML-GFCCVEGCSA-N 321.381 -0.410 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)[C@H](C)NC(=O)CC)CC1 1131362221 PMXGCRGQUNZNGG-ZDUSSCGKSA-N 324.425 -0.262 30 20 DBED C[C@@H]1CC[C@@H](NC(=O)CSCC#N)CN1CC(=O)NCC#N 1131825040 GEKIHFAIKKVLAC-VXGBXAGGSA-N 323.422 -0.148 30 20 DBED C[C@@H]1CC[C@H](NC(=O)c2ncccn2)CN1CC(=O)NCC#N 1132376259 LXFAJPBCWAUQKR-NEPJUHHUSA-N 316.365 -0.301 30 20 DBED Cc1cc(C2(C(=O)NCCNCC(=O)NCC#N)CC2)on1 1132840379 DMPBNXQINZFDFK-UHFFFAOYSA-N 305.338 -0.640 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)CCNC(N)=O)CC[C@H]1C 1133301898 MFWDCIROUGUEHP-ZIAGYGMSSA-N 324.425 -0.231 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)CN2CCC[C@@H]2C)C1=O 1133824039 WJWXKCVNWSKRML-UONOGXRCSA-N 308.426 -0.037 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)C[C@@H](C)NCc1ccn(C)n1 1134131358 VFMVOTQTIGBSBU-CHWSQXEVSA-N 319.409 -0.068 30 20 DBED C#CCCN[C@@H](C)C[C@H](C)NC(=O)Cn1ccc(=O)n(C)c1=O 1134541756 WNEXOBWTYSAGIW-STQMWFEESA-N 320.393 -0.557 30 20 DBED C#CCN[C@H](C)C[C@H](C)NC(=O)Cn1ncn2nccc2c1=O 1135614517 VHRXFANSTNUSGU-NEPJUHHUSA-N 316.365 -0.603 30 20 DBED N#CCSCC(=O)N1CC2(CCN(CCOCCO)C2)C1 1147031506 WQNXYWZGADGYAS-UHFFFAOYSA-N 313.423 -0.214 30 20 DBED C=CCNC(=O)CN1CCC2(C1)CN(C(=O)[C@H]1CCCN1C)C2 1147212151 OPKUTLPCCCDQSM-CQSZACIVSA-N 320.437 -0.083 30 20 DBED C=CCNC(=O)CN1CCCO[C@H](CNC(=O)c2ccon2)C1 1149273594 YSPZWYUKUBMAOQ-GFCCVEGCSA-N 322.365 -0.203 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CN(CC(=O)N(C)C2CC2)CCCO1 1149400331 WKTFSWQFGWVSBZ-JSGCOSHPSA-N 322.409 -0.026 30 20 DBED C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CN(CC#N)CCCO2)C1 1150572902 WXEVXVSUFROMSX-OLZOCXBDSA-N 308.382 -0.415 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)CCN(C)CC 1156193884 KDGWXSZGXWTCSP-CQSZACIVSA-N 310.442 -0.096 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)[C@H](C)n1cncn1 1156805383 FTOAFZFWQAUTMT-RYUDHWBXSA-N 306.370 -0.927 30 20 DBED C#CCNC(=O)CC(=O)NCCCNCc1cnc(C)cn1 1156852735 MOXLXODASCEZIH-UHFFFAOYSA-N 303.366 -0.480 30 20 DBED N#CCNCC1(CCNC(=O)[C@H]2CCc3nnc(O)n3C2)CC1 1165819873 XZIHLLHFTQDVJE-NSHDSACASA-N 318.381 -0.054 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NCCCN[C@H]1CCCNC1=O 1167685502 UZNLPWIJCKGOCM-KBPBESRZSA-N 324.425 -0.168 30 20 DBED N#CCNC(=O)CNCCCNC(=O)CCc1cnccn1 1170244760 MJJIRYBWAZHFSG-UHFFFAOYSA-N 304.354 -0.855 30 20 DBED C#CCNC(=O)CNCCCC[C@@H](C)NC(=O)c1ncn(C)n1 1170587902 QBNHETXQRAPFCQ-GFCCVEGCSA-N 320.397 -0.557 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@H]1CCc2n[nH]cc2C1 1171047191 UMUCIVXIJPGKKK-LBPRGKRZSA-N 317.393 -0.640 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)C[C@H]1CCN(C)C1 1171226672 JCHDTTJAONNQQP-ZIAGYGMSSA-N 308.426 -0.438 30 20 DBED C[C@@H](C#N)C(=O)NCCCCCCNCCNS(C)(=O)=O 1178059250 LAXYUKPQQLRMLI-LBPRGKRZSA-N 318.443 -0.039 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)CCn2cncn2)[C@H]1C 1178120016 AGINZQLLPXJSGT-STQMWFEESA-N 320.397 -0.451 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2ccccn2)C1 1188627060 WUDTULRVNRLFMR-CYBMUJFWSA-N 300.362 -0.023 30 20 DBED COCC#CCN(C)[C@@H]1CCN(C(=O)[C@H]2CCC(=O)NC2)C1 1191092334 WCTYYLUASNVPGE-UONOGXRCSA-N 307.394 -0.305 30 20 DBED C=CCCC(=O)N[C@@H]1CN(CC(=O)Nc2ccon2)C[C@H]1O 1191645681 OLPNJMDBIZNBHB-GHMZBOCLSA-N 308.338 -0.259 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)CNS(=O)(=O)CC)C1 1193447188 MJKQWMVVDMQLRM-VXGBXAGGSA-N 319.427 -0.947 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)CCc2cn[nH]c2)C1 1196811783 CLHJYISBYDWNFT-ZIAGYGMSSA-N 306.366 -0.847 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)CNC(=O)CCC2CCCC2)C1 1196961177 KTBJFORUDQDFNG-ZIAGYGMSSA-N 322.409 -0.242 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)C2(C(=O)N(C)C)CC2)C1 1197690234 RTPMOBOHAIYUBW-CHWSQXEVSA-N 309.410 -0.018 30 20 DBED C=CCCC(=O)N1CCCO[C@@H](CNCc2nnnn2C)C1 1200074388 NSDUHBMTOAILNF-LBPRGKRZSA-N 308.386 -0.117 30 20 DBED CCN1C[C@@H](C(=O)N2CCCO[C@@H](CNCC#N)C2)CC1=O 1200634200 BBXKSAYWETVAST-STQMWFEESA-N 308.382 -0.415 30 20 DBED C#CCNC[C@@H]1CN(C(=O)[C@H](C)N2C(=O)CCC2=O)CCCO1 1200635900 XMCQRXAMKKRVER-QWHCGFSZSA-N 321.377 -0.636 30 20 DBED N#CCNC[C@@H]1CN(C(=O)[C@@H]2CCc3nncn3C2)CCCO1 1202127002 XGRZKGUBXLQXIV-CHWSQXEVSA-N 318.381 -0.429 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)Cn2cccn2)[C@H](C)C1 1205965456 UVRQPWUQTVNAGA-CHWSQXEVSA-N 305.382 -0.378 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)CC(=O)NCC)[C@H](C)C1 1206894091 XPNWNXQDLUGZPJ-FRRDWIJNSA-N 322.409 -0.913 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[nH]2)C[C@H]1C 1206964049 VFXDOGGHGKLCQJ-GRYCIOLGSA-N 321.381 -0.917 30 20 DBED N#CCNC(=O)CN[C@H]1CCCN(C(=O)c2ccccn2)C1 1207063127 KLRARPNVYZCCCR-LBPRGKRZSA-N 301.350 -0.084 30 20 DBED C[C@H]1CCN(CC(=O)N2CCC[C@H](NCC(=O)NCC#N)C2)C1 1209643631 UOYRONZIMPSNPR-KBPBESRZSA-N 321.425 -0.451 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)[C@@H](C)SC)[C@H](OC)C1 1211908858 KPIBFWKNIVNGKF-IJLUTSLNSA-N 315.439 -0.145 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)c2cscn2)[C@H](OC)C1 1211997510 XAVFNANOUFICOX-ZYHUDNBSSA-N 324.406 -0.126 30 20 DBED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)/C=C/C1CC1 1212085363 PYRPLIUPTHHFLH-IJWDBEHRSA-N 306.366 -0.592 30 20 DBED CO[C@@H]1CN(CC(N)=O)C[C@H]1NC(=O)CC#Cc1ccccc1 1213899486 CSHCIDJONGKUDG-HUUCEWRRSA-N 315.373 -0.271 30 20 DBED N#CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)CCCF 1218482096 WYWQHRJHNUGQER-NWDGAFQWSA-N 312.345 -0.713 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)c2cscn2)C1 1219353736 JUWMOFUNWJJWAL-UMNHJUIQSA-N 322.390 -0.944 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2conc2C)C[C@@H]1O 1219611796 JTKCTWLGXAJNAU-KGLIPLIRSA-N 307.350 -0.316 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)C(C)(C)S(C)(=O)=O)C1 1220463369 KWNMFJHMSIOMDI-MNOVXSKESA-N 304.412 -0.453 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)CCc2nc3cnccc3[nH]2)C1 1220703402 ULMVPMUXAQNDDL-OLZOCXBDSA-N 314.349 -0.425 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)C(=O)Nc2cc(C)on2)C1 1220974255 YNCFQAWINIVXBT-MNOVXSKESA-N 306.322 -0.894 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCC(NC(=O)CC(=O)NC)CC1 1227050107 RUWMIYLBZHDEBL-LLVKDONJSA-N 310.398 -0.606 30 20 DBED CC(C)C#CC(=O)NC1CCN(CCN2C(=O)CNC2=O)CC1 1227265239 GCNWGJMPWNBLMG-UHFFFAOYSA-N 320.393 -0.222 30 20 DBED CC(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H]1CCCC[C@H]1NCC#N 1229151648 YHGRTABIZDIPPY-JHJVBQTASA-N 323.397 -0.703 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)c1nnn(C)c1C 1231351475 XKDLGWLVLPAZLR-GFCCVEGCSA-N 318.381 -0.981 30 20 DBED C#CCN1CC[C@H]1CN(C)C(=O)[C@H](C)NS(=O)(=O)CC 1234447883 YJXUTXOCPMQBCF-RYUDHWBXSA-N 301.412 -0.520 30 20 DBED C=CCOCc1nnc(N(C)CC(=O)N2CCOCC2)n1C 1262886366 XOGDFVIJCXZMPP-UHFFFAOYSA-N 309.370 -0.187 30 20 DBED CCC[C@H](NC(=O)CCN/C(O)=C1/N=CC=CC1=O)C(N)=O 1322786829 VRPBQMOYHNIXAS-GCOCVTSNSA-N 308.338 -0.327 30 20 DBED C=CCCOCCNC(=O)C(=O)N1CCC2(CC1)CNC(=O)C2 1323665068 SGQHSKXJDASVEH-UHFFFAOYSA-N 323.393 -0.176 30 20 DBED COC(=O)c1cc(C=NNC2CCS(=O)(=O)CC2)on1 1324928390 RIGTXWGIPJNEIO-UHFFFAOYSA-N 301.324 -0.038 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@@H]1CC(=O)N(C2CC2)C1)[C@H]1CCCO1 1325430887 IDDDMGPZIPZDGQ-KGYLQXTDSA-N 319.361 -0.837 30 20 DBED N#CCNC(=O)CNC(=O)C(=O)Nc1ccc2c(c1)OCO2 1329190787 LQCSSIIDVHPBFB-UHFFFAOYSA-N 304.262 -0.890 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](n3ccnn3)C2)CCO1 1332003322 SRJUSLXOHSMAHX-NWDGAFQWSA-N 318.337 -0.807 30 20 DBED C=C(C)CCC(=O)N1CCN(S(=O)(=O)c2nc[nH]n2)CC1 1337165051 FYGCVQFTVCNMMS-UHFFFAOYSA-N 313.383 -0.006 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)Nc1cnn(CC(=O)NC)c1 1338707354 JGFWXGXUXNOAID-UHFFFAOYSA-N 315.333 -0.947 30 20 DBED C=CCn1nnnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1340208538 MBWIEEGKQOMTAR-UHFFFAOYSA-N 319.369 -0.870 30 20 DBED C=CCn1c(N(C)C[C@H](C)C(=O)NC)nnc1[C@]1(O)CCOC1 1340772298 QRDUYFNYVBETAJ-NHYWBVRUSA-N 323.397 -0.110 30 20 DBED N#Cc1ccnc(NC(=O)c2cn(C[C@@H]3CNC(=O)O3)nn2)c1 1361515707 WJOMRJXURDMHRV-VIFPVBQESA-N 313.277 -0.095 30 20 DBED C[C@H]1CN(C(=O)Cn2cc(C#N)c(O)nc2=O)CC[S@@](=O)C1 1362921452 GAWPEZHAEMHQMK-GTUYJWLHSA-N 324.362 -0.952 30 20 DBED CCOC(=O)[C@@H]1CCCN(c2[nH]c(=O)n(C)c(=O)c2C#N)C1 1364168252 FTTAIQFACAUGAH-SECBINFHSA-N 306.322 -0.275 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCN1CCN(C(=O)[C@H](C)C#N)CC1 1374448141 UKSCCHFOGWPERB-QWHCGFSZSA-N 305.382 -0.092 30 20 DBED CCN(CCC#N)C(=O)CN1CC(NC(=O)c2c[nH]nc2C)C1 1377903976 KHGSKECNLOUCNM-UHFFFAOYSA-N 318.381 -0.106 30 20 DBED Cc1occc1C(=O)NCC(=O)NC1CN(C(=O)[C@H](C)C#N)C1 1387748143 OHJKGKOTKMPMEU-SECBINFHSA-N 318.333 -0.196 30 20 DBED C[C@H](CNC(=O)c1cn(C)c(=O)n1C)CNC(=O)[C@H](C)C#N 1391288240 VIKLIKSTKDIONB-VHSXEESVSA-N 307.354 -0.634 30 20 DBED Cc1nc(CC(=O)NC[C@H](O)CNC(=O)[C@@H](C)C#N)cs1 1399859977 FHDVIROLVQHLRP-KWQFWETISA-N 310.379 -0.253 30 20 DBED C[C@@H](CNC(=O)c1ccn(CCN(C)C)n1)NC(=O)[C@@H](C)C#N 1410455913 YIYINYITSMCOEC-RYUDHWBXSA-N 320.397 -0.161 30 20 DBED N#Cc1cn(CC(=O)N2CCC[C@@H]2[C@@H]2CCCO2)c(=O)nc1O 1412108883 JMMOFKZPOGLRQU-NEPJUHHUSA-N 318.333 -0.009 30 20 DBED CC(C)[C@H](Nc1[nH]c(=O)n(C)c(=O)c1C#N)c1nncn1C 1421120960 GTMNRSYJXJZXKW-VIFPVBQESA-N 303.326 -0.117 30 20 DBED CCc1cc(C(=O)NC[C@H](O)CNC(=O)[C@H](C)C#N)cc(O)n1 1452379130 QMUYEHDEGVQHGU-BXKDBHETSA-N 320.349 -0.284 30 20 DBED N#CC1(C(=O)NCC2(OCCO)CCOCC2)CCOCC1 1467384597 LBAPTHOQYXNCHW-UHFFFAOYSA-N 312.366 -0.019 30 20 DBED CCN(CCC#N)C(=O)CN1CC(NC(=O)c2ccn(C)n2)C1 1481601630 CKOGYJBJUHTGMG-UHFFFAOYSA-N 318.381 -0.404 30 20 DBED CCOc1nc(C(=O)N[C@H]2CCN(CC(=O)NCC#N)C2)co1 1566670048 VVAORCZVECZDJQ-JTQLQIEISA-N 321.337 -0.483 30 20 DBED Cc1ncncc1C(=O)N1CCC[C@@H]1CNCC(=O)NCC#N 1569530204 GNLFGRBXLWWJAD-GFCCVEGCSA-N 316.365 -0.381 30 20 DBED C[C@]1(C(=O)O)CN(S(=O)(=O)c2cncc(C#N)c2)CCO1 1573605706 CLUWKTSVVXCLFV-GFCCVEGCSA-N 311.319 -0.183 30 20 DBED C[C@@H](C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[nH]1)[C@@H]1CCC(=O)N1 1573755495 QNEGPUAYMVOZMN-RITPCOANSA-N 315.297 -0.685 30 20 DBED C=CCCC[C@@H](NS(=O)(=O)N1CCNCC1)C(=O)OC 1574907525 PQEUMDLLLQRXQJ-LLVKDONJSA-N 305.400 -0.376 30 20 DBED C[C@H]1CN(C(=O)CCOCc2cnn[nH]2)C[C@H]1CNCC#N 1576123865 NELNDKMAIPLCNM-NWDGAFQWSA-N 306.370 -0.081 30 20 DBED N#Cc1cn(CC(=O)N[C@@H]2CC[C@@H]3CNC[C@@H]3C2)c(=O)nc1O 1580081036 PRLOHGNJNPBXEL-JFGNBEQYSA-N 317.349 -0.675 30 20 DBED C#CC[C@H](NC(=O)c1cc(C)ccc1S(N)(=O)=O)C(=O)O 1588414015 MPKBWJBWNWCBSU-JTQLQIEISA-N 310.331 -0.151 30 20 DBED C=C(C)C[C@H](NC(=O)CN1CCCCS1(=O)=O)C(=O)O 1588542109 AUFADAPTKFEYOH-JTQLQIEISA-N 304.368 -0.052 30 20 DBED N#C[C@H]1CC[C@@H](NC(=O)C(=O)N2CCC([C@H](O)C(=O)O)CC2)C1 1601079030 CTWFKCYSZNKAHX-WCQGTBRESA-N 323.349 -0.521 30 20 DBED N#Cc1ccc(NC(=O)C(=O)N2CCO[C@@H](C(=O)O)C2)cc1F 1601106972 LUEUYRGCBYFTAU-LLVKDONJSA-N 321.264 -0.052 30 20 DBED C#CC[C@H](NS(=O)(=O)c1cc(C(=O)OC)no1)C(=O)O 1602698574 LYCIBYRGQPGRQV-LURJTMIESA-N 302.264 -0.784 30 20 DBED N#CCN(CC(=O)O)C(=O)c1cnn(-c2ccccn2)c1N 1608183759 KTCKAZBXLLOYET-UHFFFAOYSA-N 300.278 -0.100 30 20 DBED N#Cc1ccc(NCC(=O)N2CCNC(=O)[C@H]2CC(=O)O)nc1 1608208886 QZJRLLJZLCTFTE-SNVBAGLBSA-N 317.305 -0.833 30 20 DBED N#Cc1c(N2C[C@H]3[C@@H](C2)[C@@H]3C(=O)O)cccc1S(N)(=O)=O 1610624073 JDIAFYXVVRRNIS-GDGBQDQQSA-N 307.331 -0.028 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@H](NCCN2C(=O)NC(C)(C)C2=O)C1 1752622003 KGXYMMZAALZBJD-GMTAPVOTSA-N 321.381 -0.287 30 20 DBED C#CCNC(=O)CNC[C@H]1CCCN(C(=O)COCC2CC2)C1 1752791567 UNKJWNCRFFLRPL-OAHLLOKOSA-N 321.421 -0.009 30 20 DBED C=CCCN[C@H](C)CNC(=O)c1nc(C)n(-c2nc[nH]n2)n1 1752893981 IIWMQNIWJXHJPZ-SECBINFHSA-N 304.358 -0.022 30 20 DBED CCN(CCNC(=O)C[C@H]1CCN(C)C1)CC(=O)NCC#N 1753093553 ZSIDECOTQJBCHU-CYBMUJFWSA-N 309.414 -0.594 30 20 DBED CC#CCN(C)C[C@@H]1CCN(C(=O)CN2CC(=O)N(C)C2=O)C1 1753358237 MPBLTGQFMYTVIX-ZDUSSCGKSA-N 320.393 -0.316 30 20 DBED C=CCNC(=O)[C@H](C)N1CC(CNC(=O)c2ccnn2C)C1 1753397401 MQAUXCRHNXDKHJ-NSHDSACASA-N 305.382 -0.228 30 20 DBED C#CCCN1CCO[C@@H](CNC(=O)CS(=O)(=O)C(C)C)C1 1753657431 BEKCLEDRWLIKRO-ZDUSSCGKSA-N 316.423 -0.350 30 20 DBED C=CCNC(=O)CN(C)CCN(C)C(=O)C[C@@H]1CCC(=O)NC1 1753854626 QROJEEXJOKCFMZ-ZDUSSCGKSA-N 324.425 -0.405 30 20 DBED C=CCCNC[C@@H]1CCC[C@H]1NC(=O)CN1C(=O)CNC1=O 1753897486 KLRGPKUTOYVJML-NWDGAFQWSA-N 308.382 -0.011 30 20 DBED CC#CCN1CC(O)(CNC(=O)c2ccoc2CC(N)=O)C1 1754772681 OMKONSXKJFIYKJ-UHFFFAOYSA-N 305.334 -0.893 30 20 DBED C=C(C)CNC[C@@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@@H]1C 1754815920 ZYDHHCCHFXESEU-NWDGAFQWSA-N 320.397 -0.363 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(NCc2nc(=O)n(C)[nH]2)CCC1 1754980379 AGSMTEJEZZRKFO-NSHDSACASA-N 321.381 -0.725 30 20 DBED CC#CCN[C@@]1(CO)CCCN(C(=O)C[C@H]2COC(=O)C2)C1 1755084058 FFJLRRGCSBHGEU-CJNGLKHVSA-N 308.378 -0.094 30 20 DBED C[C@H](NCC#N)[C@@H]1CN(C(=O)c2cnc3[nH]nnc3c2)CCO1 1755441483 GONSFTDAWUCFIS-CABZTGNLSA-N 315.337 -0.304 30 20 DBED C[C@@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)c1ccc(O)nc1 1755662474 DZDKFKQMVUIBFW-PWSUYJOCSA-N 317.349 -0.380 30 20 DBED C#CCN[C@@H]1C[C@@H](C)N(C(=O)CCC(=O)N2CCOCC2)C1 1755690454 WGXOIQVORGKXEP-ZIAGYGMSSA-N 307.394 -0.162 30 20 DBED Cc1cc(C(=O)N[C@H](CO)CNC(=O)CSCC#N)cnn1 1756503627 LHHKSOCREJQAHU-NSHDSACASA-N 323.378 -0.751 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H]1CC[C@H](NC(=O)C(F)F)C1 1756634045 XRDZYPKMYJKMHP-ZJUUUORDSA-N 315.320 -0.208 30 20 DBED C#CCNC(=O)CC(=O)NC1CC(N(C)C(=O)COCC=C)C1 1756736301 FWZZIOBHDSQVFS-UHFFFAOYSA-N 321.377 -0.566 30 20 DBED CC[C@@H](NS(=O)(=O)CCOC1(C#N)CCOCC1)C(=O)O 1776952999 UKKRMSUJVMPWEX-SNVBAGLBSA-N 320.367 -0.142 30 20 DBED CC(=O)N[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1783169823 LSTFPXVQCJCDIP-XHDPSFHLSA-N 322.365 -0.745 30 20 DBED N#CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(=O)C3CC3)[C@H]2C1 1784004302 IBFNOJHLMCQUHN-AVGNSLFASA-N 319.361 -0.141 30 20 DBED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cncn3C)C[C@@H]21 1790790769 DFCMYBGOKBTKKF-OBJOEFQTSA-N 316.361 -0.353 30 20 DBED CC[C@H](NC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC#N)C2 1795721924 VODCAPOVWLWZOV-XFMPKHEZSA-N 322.409 -0.122 30 20 DBED C[C@H](NC=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC#N)C2 1799286507 SITNBPBNYCAFCW-FMSGJZPZSA-N 322.365 -0.986 30 20 DBED C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCCS1(=O)=O 1801520996 OWJUCDQYANCKOL-RNJOBUHISA-N 324.402 -0.165 30 20 DBED N#CCC(=O)N[C@H]1CCc2nc(NC(=O)[C@@H](N)CN)sc2C1 1817061383 QOWBOODUOQISCP-YUMQZZPRSA-N 322.394 -0.745 30 20 DBED C#CC(=O)N1CCC(OC2CCN(C(=O)[C@H](C)O)CC2)CC1 1838743210 CJZXQXOEAXSMCR-LBPRGKRZSA-N 308.378 -0.001 30 20 DBED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)/C=C/OCC)CCO2 1840311103 GCCLYBMRMRUYFH-CDVVCGDMSA-N 322.361 -0.374 30 20 DBED CCCNC(=O)NC(=O)Cn1cc(C(=O)OC)cc(C#N)c1=O 25963602 DERISIXBEXNSHA-UHFFFAOYSA-N 320.305 -0.258 30 20 DBED CC#CCNC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 135994254 UKDAAMVTQUKJOZ-UHFFFAOYSA-N 306.366 -0.514 30 20 DBED C=CC[C@H](NC(=O)NCC(C)(C)NS(C)(=O)=O)C(=O)O 159885256 IQVOPMBBJBYECD-QMMMGPOBSA-N 307.372 -0.357 30 20 DBED N#Cc1cc(S(=O)(=O)N[C@H](CC(=O)O)C(=O)O)ccc1F 166507142 ZANNCXIPJDQPMW-SECBINFHSA-N 316.266 -0.096 30 20 DBED C=CCNC(=O)NC(=O)CN1CCN(C[C@H]2CCOC2)CC1 178480654 SIHVYOHVOLLFBL-CYBMUJFWSA-N 310.398 -0.348 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C2=NN(CCO)C(=O)CC2)C1=O 281684425 KXNBLLAWFAASST-GFCCVEGCSA-N 322.365 -0.798 30 20 DBED C[C@@]12CCC(=O)N1[C@@H](C(=O)NCCn1cnc(C#N)n1)CS2 286966497 SFQHACRYYLEZHA-NOZJJQNGSA-N 320.378 -0.280 30 20 DBED C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)NCC#CCO)C2=O 294377509 UQKMOPRMNDQTIG-IAQYHMDHSA-N 307.350 -0.401 30 20 DBED C/C(O)=N/[C@H]1CCCN(C(=O)Cn2nc3cnccn3c2=O)C1 328809731 AJVXBRKSLXNUCA-NSHDSACASA-N 318.337 -0.142 30 20 DBED CCOC(=O)[C@H](CO)NS(=O)(=O)N(CC)C[C@@H](C)C#N 336955195 YGBADDMNVPKXIE-UWVGGRQHSA-N 307.372 -0.774 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)NCCCO[C@H]2CCOC2)CCO1 336956238 ZEWABZHKODHKFD-NWDGAFQWSA-N 319.383 -0.759 30 20 DBED CCN1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)[C@@H](C)C1=O 337128918 BASFTYUFSZPIMO-WDEREUQCSA-N 316.383 -0.992 30 20 DBED C=CC[C@@H](CO)CNC(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 341826979 TZCMXIQZKIZLNZ-NEPJUHHUSA-N 319.427 -0.106 30 20 DBED COC(=O)Cn1cnc(NS(=O)(=O)c2ccc(C#N)o2)n1 342473604 CRRFQZWBAPEOQG-UHFFFAOYSA-N 311.279 -0.283 30 20 DBED N#Cc1ccc(NCC(=O)NCCCN2CCOCC2)nc1 345682887 PGHTWWBDMSUXQK-UHFFFAOYSA-N 303.366 0.204 30 20 DBED C[C@H](C#N)C(=O)N1CCN([C@H](C)C(=O)N2CCOCC2)CC1 347100290 GAASPZGFUDPAFX-CHWSQXEVSA-N 308.382 -0.462 30 20 DBED N#CCCn1ccc(NC(=O)NCc2nnnn2CC2CC2)n1 352589821 VCXATGTYAAJHBQ-UHFFFAOYSA-N 315.341 0.515 30 20 DBED C=C[C@@H](CO)NC(=O)C(=O)Nc1ncn(C2CCCCC2)n1 354671961 QGUNXJISLMUOHR-JTQLQIEISA-N 307.354 0.385 30 20 DBED CNS(=O)(=O)CC(=O)Nc1ccccc1-n1cnc(C#N)n1 366450333 HWDPWOHIAXZOTA-UHFFFAOYSA-N 320.334 -0.373 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N1CCSC[C@@H]1C(=O)O 417449656 ABSRGOGOAGQRQB-RKDXNWHRSA-N 307.397 -0.175 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H]2CC[C@H](C)O2)C1=O 457359342 IBVCUMFCISHKQJ-VHSXEESVSA-N 309.322 -0.353 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCOCC2)CC1 491727980 GPCGRKLUCMMEAJ-CQSZACIVSA-N 307.394 -0.303 30 20 DBED C#CCNC(=O)CN1CCN(Cc2nc(C3CC3)nn2C)CC1 491790365 YUMJHVKVHLMJSC-UHFFFAOYSA-N 316.409 -0.441 30 20 DBED COC(=O)CNC(=O)[C@H](C)N(C)CCCc1[nH]nc(N)c1C#N 534096591 MIPOWIHMHFOQPE-VIFPVBQESA-N 322.369 -0.594 30 20 DBED COCC[C@H](NS(=O)(=O)c1ccc(C#N)cc1F)C(N)=O 539386185 FDNGQIXNMIHCKU-JTQLQIEISA-N 315.326 -0.134 30 20 DBED COc1cc(C#N)ccc1OCC(=O)NC[C@H]1CNCCN1C 579607014 GLKBWINNUFFGRM-CYBMUJFWSA-N 318.377 -0.035 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N[C@H]1CCCN(CCCO)C1 594777159 LYTYTXYMTIBFEP-OLZOCXBDSA-N 318.443 -0.241 30 20 DBED N#Cc1ccccc1OC[C@@H](O)CNCCN1CC[C@H](O)C1 600762718 WEOXHNHQQUZTLR-GJZGRUSLSA-N 305.378 -0.046 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)c2cn(CCC)nn2)CC1 677995944 ANXOOAQDXYOEMX-UHFFFAOYSA-N 320.397 -0.252 30 20 DBED C#CC1(O)CCN(S(=O)(=O)N2CCC[C@H]2C(=O)O)CC1 708116686 QPUHPEDSRUIPNC-JTQLQIEISA-N 302.352 -0.760 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCCN(C)S(C)(=O)=O 730097766 JUORBEAQYZWKIX-LBPRGKRZSA-N 301.412 -0.518 30 20 DBED C=CCNC(=O)c1ccc(NC(=O)C(=O)NCC(=O)O)cc1 738495185 JIQJSYZAIPVZPC-UHFFFAOYSA-N 305.290 -0.258 30 20 DBED C#C[C@H](NC(=O)N1CC[C@H](S(=O)(=O)NC)C1)[C@@H]1CCCO1 773561776 UHUQXEAHQGQDGE-SRVKXCTJSA-N 315.395 -0.500 30 20 DBED C#C[C@@H](NC(=O)C(=O)N(C)Cc1cnn(C)c1)[C@H]1CCCO1 774248509 DWZMUWSHVWNDNQ-CHWSQXEVSA-N 304.350 -0.325 30 20 DBED C#CCNC(=O)COC(=O)c1cn(C)nc1-c1cnn(C)c1 781298689 XEZYXQADYIZKST-UHFFFAOYSA-N 301.306 -0.273 30 20 DBED COC[C@@H](C#N)OC(=O)CNS(=O)(=O)c1c(C)noc1C 785052486 QFDIOSSCTZCUGW-SECBINFHSA-N 317.323 -0.348 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CCCO[C@H]2C)CC1 790582671 RPXWZGYXXFFWPH-KBPBESRZSA-N 307.394 -0.305 30 20 DBED O=C(NCc1ccc(F)cc1)C(=O)N[C@@H]1CCCN(O)C1=O 820477115 UYEKJLJIHDYPLB-LLVKDONJSA-N 309.297 -0.062 30 20 DBED C#C[C@@H](NC(=O)C(=O)N[C@H]1CC[C@@H](C(=O)O)C1)[C@H]1CCCO1 843257442 PDGNNCMBNNSVES-WRWGMCAJSA-N 308.334 -0.347 30 20 DBED C#C[C@@H](C)NS(=O)(=O)CCCS(=O)(=O)Nc1ccon1 848965362 NEKZGNRDUNHKKD-SECBINFHSA-N 321.380 -0.253 30 20 DBED C#CCCN(CCNS(=O)(=O)c1cnn(C)c1)CCOC 852752444 YZMMMVODABMIFM-UHFFFAOYSA-N 314.411 -0.330 30 20 DBED C#CCN(CC(=O)N1CC(=O)N(C)C(=O)C1)C(=O)OC(C)(C)C 854381477 KNDWGISNSCUDEY-UHFFFAOYSA-N 323.349 -0.316 30 20 DBED CCOC(=O)CNC(=O)[C@@H]1COCCN1C(=O)C#CC1CC1 854383137 XDGGZKVOSVCLEX-LBPRGKRZSA-N 308.334 -0.694 30 20 DBED C#CC[C@H](CO)NS(=O)(=O)C1CN(C(=O)C2CCCC2)C1 882342097 WLUSXUUECCUHPO-GFCCVEGCSA-N 314.407 -0.309 30 20 DBED C#CC1(O)CN(C(=O)c2ccc(S(=O)(=O)NCC)cc2)C1 890519265 JADXMRBITQRDFW-UHFFFAOYSA-N 308.359 -0.195 30 20 DBED N#C[C@H]1CN(C(=O)NC[C@@H]2CNCCCO2)CCN1C1CC1 892167147 CCYXSCCXGKVEGK-KBPBESRZSA-N 307.398 -0.253 30 20 DBED C#CCCCc1nnc(N2C[C@H]3C(=O)N(C)C(=O)[C@H]3C2)n1C 908529773 RGVHYMIZHWMZIP-PHIMTYICSA-N 301.350 -0.178 30 20 DBED CN(C)C(=O)COc1cccc(CNC(=O)NCC#CCO)c1 923786080 RBMGQOOSENTLRJ-UHFFFAOYSA-N 319.361 -0.052 30 20 DBED C[C@@H]1CN(C[C@H](O)CC#N)CCN1c1nccn2cnnc12 930044183 YEQUFGPFZKZDHV-VXGBXAGGSA-N 301.354 -0.091 30 20 DBED N#Cc1cc(C(=O)N[C@H]2CCN(C(=O)[C@H]3CCC(=O)N3)C2)c[nH]1 937851528 OZGJDABRWNWYKI-CMPLNLGQSA-N 315.333 -0.504 30 20 DBED CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1CCN(C(=O)C#CC2CC2)C1 938832189 YYIZNODDJMEOIC-MELADBBJSA-N 317.389 -0.159 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@@H](NC(=O)[C@@H]3COCCO3)C2)c1 939504671 LTWDVBIKKXLXAC-YPMHNXCESA-N 318.333 -0.368 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CN2CC(=O)NC2=O)[C@@H](C)C1 943676414 TZZUHMUGEQFTED-NWDGAFQWSA-N 306.366 -0.612 30 20 DBED N#CCN1CCOC2(CCN(C(=O)[C@@H]3CCNC(=O)C3)CC2)C1 949340592 UZILSIHSKKRYEA-CYBMUJFWSA-N 320.393 -0.270 30 20 DBED CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(C(=O)c2cc(C#N)c[nH]2)C1 954239787 IIEZYGZSDXLWCX-ZYHUDNBSSA-N 317.305 -0.166 30 20 DBED N#CCN1C[C@H](CNC(=O)c2cn3cccnc3n2)[C@@H](O)C1 958215223 URXHBZFMISSPFU-JQWIXIFHSA-N 300.322 -0.725 30 20 DBED N#CCN1C[C@H]2C(NC(=O)[C@H](C3CC3)N3CCOCC3)[C@@H]2C1 962695080 ZHFRSIIAERRBOI-NFAWXSAZSA-N 304.394 -0.333 30 20 DBED Cc1cc(C(=O)NC[C@@H]2COCCN2C(=O)[C@H](C)C#N)n(C)n1 964099822 KBPJWMGWOVVFFW-ZYHUDNBSSA-N 319.365 -0.155 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CN(C(=O)c3n[nH]cc3F)CCO2)C1 965476973 KQOWOSOOFYYEKX-VIFPVBQESA-N 321.312 -0.238 30 20 DBED C[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)CN1CCCC1=O 966402545 SYMNJPFRHNNCQE-GXTWGEPZSA-N 317.389 -0.015 30 20 DBED C[C@@H](C#N)C(=O)N1CC(N2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 967177255 GAIPDWYWZMRLNR-JSGCOSHPSA-N 320.393 -0.320 30 20 DBED C=CCn1cc(C(=O)N[C@H](C)C2CN([C@@H](C)C(N)=O)C2)nn1 970544703 QCVAFBQWTRQACM-ZJUUUORDSA-N 306.370 -0.612 30 20 DBED CN(Cc1nc(=O)n(C)[nH]1)[C@H]1CCN(C(=O)C#CC2CC2)C1 971512389 CJVXWEVVOLZAIS-LBPRGKRZSA-N 303.366 -0.446 30 20 DBED C#CCN1C[C@H]2CC[C@H]1CN2C(=O)[C@@H]1CCc2nnc(O)n2C1 971536726 WOQPSSPKFGSOPM-FRRDWIJNSA-N 315.377 -0.146 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)[C@@]3(C)CCNC(=O)C3)C2)C1 972432098 YEWXAUGAIBVFLS-IRXDYDNUSA-N 319.405 -0.161 30 20 DBED C#CCN(C)[C@@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)C1 972720408 JQEMMBLFCZIVPL-SNVBAGLBSA-N 300.322 -0.803 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]2CCN(C(=O)C3(C(N)=O)CC3)C[C@@H]21 975942113 INMLPEALOOLAKF-WOPDTQHZSA-N 318.377 -0.139 30 20 DBED N#Cc1cc(C(=O)N2CC[C@@H](CNC(=O)c3nc[nH]n3)C2)c[nH]1 982665836 RLUWTLKRSMKINW-VIFPVBQESA-N 313.321 -0.103 30 20 DBED C=CCn1cc(C(=O)N(C)[C@H]2CCCN(C(=O)C(N)=O)C2)nn1 984576019 FLHRHDAXODAVNH-JTQLQIEISA-N 320.353 -0.988 30 20 DBED C#CCN(C)C1CCN(C(=O)C2CC3(C2)NC(=O)NC3=O)CC1 985695992 FMEZCFDZXAFJDM-UHFFFAOYSA-N 318.377 -0.469 30 20 DBED C[C@H](NC(=O)c1ccc(C#N)[nH]1)C1CCN(C(=O)C(N)=O)CC1 986976621 BNANKSPKZSRUDU-VIFPVBQESA-N 317.349 -0.271 30 20 DBED C=CCN[C@@H]1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)[C@H]1C 987103196 FFNRWACPPCTEBP-CMPLNLGQSA-N 306.366 -0.537 30 20 DBED C#Cc1ccc(C(=O)N2CC(NC(=O)[C@H]3CCC(=O)N3)C2)nc1 990484754 IMNBIPVQSUFXJP-GFCCVEGCSA-N 312.329 -0.718 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC(NC(=O)CN2CCCC2)C1 991758946 VYINWDBHAVBKMM-HNNXBMFYSA-N 318.421 -0.493 30 20 DBED C=CCN1CCC[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)[C@H]1C 993413181 KMENPLHTRJHZST-CHWSQXEVSA-N 320.393 -0.298 30 20 DBED Cn1[nH]c(CN[C@H]2CCCN(C(=O)C#CC3CC3)C2)nc1=O 999125600 AAZRLCQEPCBPJW-LBPRGKRZSA-N 303.366 -0.398 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC(NC(=O)Cc2cnc[nH]2)C1 1000564702 QBMCIPLLXFZOPH-AWEZNQCLSA-N 315.377 -0.623 30 20 DBED N#Cc1c[nH]c(C(=O)NCC2CN(C(=O)[C@@H]3CCNC3=O)C2)c1 1001347809 SXEMSYWRUZLHGM-LLVKDONJSA-N 315.333 -0.789 30 20 DBED C[C@@H](C#N)C(=O)N1CC([C@@H](C)NC(=O)c2cn(C)c(O)n2)C1 1006786063 MKYVHCUWPAWZOK-DTWKUNHWSA-N 305.338 -0.138 30 20 DBED N#Cc1ccc(C(=O)NC[C@H]2[C@@H]3CN(C(=O)CC(N)=O)C[C@H]23)[nH]1 1008951092 LUNWFZKMMVODIN-RTCCRHLQSA-N 315.333 -0.804 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2C(NC(=O)C(N)=O)[C@H]2C1 1013689995 RORMBWXFUVOFPO-GMOBBJLQSA-N 307.350 -0.974 30 20 DBED C#CCCN1CCC2(CC1)C[C@H]2NC(=O)c1nnc(O)nc1O 1016710543 SAENQSJHSLCIBU-SNVBAGLBSA-N 317.349 -0.110 30 20 DBED CC(=O)N1CCO[C@H](C(=O)N[C@H]2CC23CCN(CC#N)CC3)C1 1016953698 VPONQBBJCXJJJJ-KBPBESRZSA-N 320.393 -0.272 30 20 DBED C[C@H]1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)CN1C(=O)CC(N)=O 1018088186 MWMIBFJRGTXVSE-ONGXEEELSA-N 317.349 -0.129 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(C1)CN(C(=O)[C@@]1(C)CNC(=O)C1)C2 1019199694 CVJFEXDHUNBGJK-XHDPSFHLSA-N 318.377 -0.267 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H](NCc3nc(O)n[nH]3)C2)nn1 1019481973 AVSPNZCNXBDRRZ-VIFPVBQESA-N 318.341 -0.708 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)CC)C[C@H]2O)nn1 1023769545 WVCNLKMYFJHPHJ-NQBHXWOUSA-N 321.381 -0.188 30 20 DBED N#CCN[C@@H]1CC[C@@H]2CN(C(=O)CCN3C(=O)CCC3=O)C[C@H]21 1026306324 KQDXYQRLRQDTSK-JHJVBQTASA-N 318.377 -0.124 30 20 DBED C#CCN1CC[C@H](CNC(=O)c2cc(=O)n3[nH]cnc3n2)C1 1028928843 QYOQVDOKMDNVCS-SNVBAGLBSA-N 300.322 -0.898 30 20 DBED N#Cc1ccc(CN2CC(NC(=O)[C@H]3CNC(=O)N3)C2)cc1F 1030878951 ZWUYAUTWOYQFPM-CYBMUJFWSA-N 317.324 -0.321 30 20 DBED C=C(Cl)CN1CC(NC(=O)CN2C(=O)CN(C)C2=O)C1 1031362661 OGXVPTNAFXNICV-UHFFFAOYSA-N 300.746 -0.567 30 20 DBED CC#CCN1CCO[C@@H](CNC(=O)c2ccc3nnnn3c2)C1 1035444672 WTXGXHIVAJNXAS-ZDUSSCGKSA-N 314.349 -0.422 30 20 DBED C#Cc1cncc(C(=O)NC[C@H]2CN(CC(=O)NC)CCO2)c1 1035498444 BAXSYCJBJCCZDJ-AWEZNQCLSA-N 316.361 -0.761 30 20 DBED C#CCN1CC[C@H]2CN(C(=O)CN3C(=O)CN(C)C3=O)CC[C@@H]21 1036888778 PBGXSZNABUXTFT-STQMWFEESA-N 318.377 -0.564 30 20 DBED N#CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1ccc(S(N)(=O)=O)o1 1037490385 PAGJBZFCLDPJBP-VHSKPIJISA-N 310.335 -0.747 30 20 DBED CO[C@H](C(=O)N1CC[C@@](O)(CNC(=O)C#CC2CC2)C1)C1CC1 1039681077 SZPLFVACCZYIKF-DOTOQJQBSA-N 320.389 -0.096 30 20 DBED C#CCOCCC(=O)NC[C@]1(O)CCN(C(=O)c2cnco2)C1 1039720943 GQDPZFFZQFOXPZ-OAHLLOKOSA-N 321.333 -0.592 30 20 DBED C#CCOCCC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2C[C@H]2C)C1 1040499322 KYVWCADPYJEDHZ-IOASZLSFSA-N 308.378 -0.238 30 20 DBED C=C(C)CCC(=O)N1CC[C@@](O)(CNC(=O)Cc2nc[nH]n2)C1 1040968887 QHBUWBBHDSGXPE-OAHLLOKOSA-N 321.381 -0.217 30 20 DBED Cn1cnc(C(=O)N[C@@H]2CN(c3ccc(C#N)nc3)C[C@H]2O)c1 1040987701 OJLHMNLOGJXUOE-TZMCWYRMSA-N 312.333 -0.334 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)[C@@H](CC)N(C)C)C1 1042040888 ZZOIVQAQIIKUDP-GFCCVEGCSA-N 313.398 -0.781 30 20 DBED C=CCN1CC[C@@H](N2CC(N(C)C(=O)c3cn[nH]c3)C2)C1=O 1042503328 NGGOHUQQLBAVIW-CYBMUJFWSA-N 303.366 -0.047 30 20 DBED C[C@](O)(CC(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1)C1CC1 1042627546 NCRJQPOVZBURQM-INIZCTEOSA-N 320.389 -0.360 30 20 DBED NC(=O)CCCCC(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042960160 GBQVILWDEAFQKW-UHFFFAOYSA-N 321.377 -0.865 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)CC(C)(F)F)C1 1043042264 NVKNTJWYQPMWJI-JTQLQIEISA-N 318.320 -0.241 30 20 DBED C=CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)COCCC)C1 1043571551 QBOWKTMBWWQZRT-GFCCVEGCSA-N 314.382 -0.306 30 20 DBED C=CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1043576333 PANPIOWAAPWVIK-WUHRBBMRSA-N 324.377 -0.841 30 20 DBED N#Cc1nccc(N2C[C@H](O)[C@H](NC(=O)c3ccccn3)C2)n1 1043824195 ROEYVCOQKDDNIU-NEPJUHHUSA-N 310.317 -0.277 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CN(c3cc(F)ncn3)C[C@@H]2O)[nH]1 1043892365 VDWFBYHGVGFBHF-MNOVXSKESA-N 316.296 -0.205 30 20 DBED Cc1cnoc1C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@@H]1O 1044156580 MLAMWRRNZBFCNY-MNOVXSKESA-N 314.305 -0.376 30 20 DBED C=C[C@H](CC)CC(=O)NCC1(O)CN(C(=O)c2cnn[nH]2)C1 1045072478 LINMJTKCWSLNFV-SNVBAGLBSA-N 307.354 -0.290 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)C[C@H]2CCN(C)C2)C1 1045546261 JZBFBMKXCOZMDV-VXGBXAGGSA-N 308.382 -0.823 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)C[C@@H](C)n2cccn2)C1 1046609275 OQJMETWHKSJZRD-NWDGAFQWSA-N 319.365 -0.317 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)[C@H]2CN(C)C[C@@H]2C)C1 1046685249 RCKFEGKINQWAAV-KBPBESRZSA-N 321.421 -0.467 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CCC(=O)NC2)C1 1047406289 AHBXXJRZVNAEPD-IHRRRGAJSA-N 307.394 -0.571 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CCC(=O)N2)C1 1047562211 JQJHTACEAMGAQO-WOPDTQHZSA-N 315.801 -0.089 30 20 DBED C=CCCC(=O)N(C)[C@H]1CN(C(=O)[C@@H](C)NC(C)=O)C[C@@H]1O 1048506073 HFQYAXVBKNBSPM-WXHSDQCUSA-N 311.382 -0.493 30 20 DBED C=CCCOCC(=O)N(C)[C@H]1CN(C(=O)c2cnn[nH]2)C[C@@H]1O 1049011589 XMLFTOOWBZIUKQ-RYUDHWBXSA-N 323.353 -0.959 30 20 DBED Cc1cnn(C)c1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)C#N)C1 1049408216 PWDAOULJVIYDPI-DLOVCJGASA-N 319.365 -0.468 30 20 DBED CC#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1c(O)nnc1O 1049867823 PRMZEMWXXJWLDS-RYUDHWBXSA-N 319.365 -0.222 30 20 DBED N#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)CN1C(=O)CCC1=O 1049889048 MVTJIIXALXFNNK-NWDGAFQWSA-N 304.350 -0.276 30 20 DBED C#CCOCCC(=O)N[C@H](C)[C@H]1CCN(C(=O)CC(=O)NC)C1 1050558377 NDNIJZSKSFHSRV-OLZOCXBDSA-N 323.393 -0.484 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)[C@@H]1CC(=O)NC(=O)N1)C2 1050682743 MVGUNOVWQSRRSV-NSHDSACASA-N 304.350 -0.858 30 20 DBED C#CCCN1CCOC[C@H]1CNC(=O)[C@@H]1CCCN(C(N)=O)C1 1051012099 SXQSAVMXUPYEDU-ZIAGYGMSSA-N 322.409 -0.383 30 20 DBED C#Cc1cncc(C(=O)NC[C@@H]2COCCN2CC(=O)NC)c1 1051105690 GTWIHRKSLDVROF-CQSZACIVSA-N 316.361 -0.761 30 20 DBED N#Cc1ccc(N2CC[C@H](NC(=O)c3cn[nH]c3)[C@H](O)C2)nn1 1051626771 SZNXJUCKGRAMJQ-NWDGAFQWSA-N 313.321 -0.559 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](N2CCN(Cc3cnon3)CC2)C1 1051998391 SHMVJQCBFCDJFE-TZMCWYRMSA-N 318.381 -0.052 30 20 DBED C#CCN1CCN([C@H]2CCN(C(=O)C[C@H]3CCNC3=O)C2)CC1 1052036503 NTVUJDTWSJZUNE-CABCVRRESA-N 318.421 -0.636 30 20 DBED C#CCN1CCN([C@@H]2CCN(C(=O)[C@@H]3CCN(C)C3=O)C2)CC1 1052066703 XSIAFTJQLSFZTG-HUUCEWRRSA-N 318.421 -0.684 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)c1cccn(C)c1=O)CCO2 1053511606 AAIUYEGDSVUCOG-UHFFFAOYSA-N 315.373 -0.065 30 20 DBED CC#CCN1CC2(CC[C@@H](CNC(=O)[C@@H]3CC(=O)N(C)C3)O2)C1 1053607422 UOFQDOSEYOWSNP-KGLIPLIRSA-N 319.405 -0.162 30 20 DBED C=CCCN1CC2(C[C@H](NC(=O)c3c[nH]c(=O)cn3)CO2)C1 1053910232 VQCFOAYEVOSMSE-NSHDSACASA-N 304.350 -0.081 30 20 DBED C[C@]1(C(=O)N2CCN(c3cncc(C#N)n3)CC2)CNC(=O)C1 1055963110 SAEYPFAXZULGHO-OAHLLOKOSA-N 314.349 -0.477 30 20 DBED Cc1cc(C#N)nc(N2CCN(C(=O)[C@H]3CCNC3=O)CC2)n1 1055973737 CMKHGUUIBKRIHM-LBPRGKRZSA-N 314.349 -0.559 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)C(N)=O 1056537950 QPIHECUKPSLICO-GRYCIOLGSA-N 307.350 -0.898 30 20 DBED CN(c1ccc(C#N)nn1)[C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 1057012705 MWMAMQOFFPGUBM-WDEREUQCSA-N 315.337 -0.933 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)Cc1cnn(C)c1 1057165062 YYNUAZRKAOKPGU-NSHDSACASA-N 307.354 -0.941 30 20 DBED C#CCOCCC(=O)N(CCO)CCNC(=O)c1ccncc1 1057579543 PKYZZLDKEYEOSB-UHFFFAOYSA-N 319.361 -0.328 30 20 DBED C#CCOCCC(=O)N(CCO)CCNC(=O)c1cc[nH]n1 1057581857 XZTQIHQKBBUHTN-UHFFFAOYSA-N 308.338 -1.000 30 20 DBED Cn1cnc(C(=O)N[C@H]2CCCN(c3ccc(C#N)nn3)C2)n1 1058154046 SCPAYNIBUPGQGJ-NSHDSACASA-N 312.337 -0.124 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)C[C@@H]1CCN(C)C1 1058157751 HIOZZPMGFWSABZ-STQMWFEESA-N 310.398 -0.575 30 20 DBED CC#CCCCC(=O)NCCN(CCO)C(=O)c1nc[nH]n1 1058388406 DKTTXYOTBOFWFV-UHFFFAOYSA-N 307.354 -0.451 30 20 DBED Cc1nc(N2CC[C@H](NC(=O)c3nnn(C)n3)C2)ccc1C#N 1058516170 FYGYKHPMWJHKLN-NSHDSACASA-N 312.337 -0.206 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(CCO)CCNC(=O)COC 1058872744 CIGTVQXLNSVPEM-NEPJUHHUSA-N 300.355 -0.839 30 20 DBED CN1C(=O)CC[C@H]1C(=O)N1CC[C@H](Nc2nccnc2C#N)C1 1059028929 TXBHVGRNUKUTHO-JQWIXIFHSA-N 314.349 -0.018 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](CCNC(=O)c2c[nH]c(=O)cn2)C1 1060286076 ITFFPJVEFKIKRH-WDEREUQCSA-N 317.349 -0.102 30 20 DBED CC(=O)N[C@@H](C)C(=O)NC[C@H]1COCCN1C(=O)C#CC1CC1 1061253278 SEYSOBZDOYXMBJ-FZMZJTMJSA-N 321.377 -0.732 30 20 DBED C=CCOCC(=O)NC[C@H]1COCCN1C(=O)c1cnco1 1061419332 JLQXDSQUJSLEOW-NSHDSACASA-N 309.322 -0.166 30 20 DBED C#CCOCCC(=O)NC[C@H]1COCCN1C(=O)[C@H]1CCCO1 1061581059 KAIYFWXAQSIVIA-UONOGXRCSA-N 324.377 -0.451 30 20 DBED C=CCCC(=O)N1CCOC[C@H]1CNC(=O)C(C)(C)C(N)=O 1061659101 QTXKXZFDXYQJSC-LLVKDONJSA-N 311.382 -0.192 30 20 DBED C=CCCC(=O)N1CCOC[C@@H]1CNC(=O)[C@H]1CCNC1=O 1061748284 JNQQBCLRQPCWAJ-RYUDHWBXSA-N 309.366 -0.568 30 20 DBED N#Cc1cnc(N2CCO[C@@H](CNC(=O)c3cocn3)C2)cn1 1063618703 FAXSNGZUQIFMBW-NSHDSACASA-N 314.305 -0.029 30 20 DBED N#Cc1cnc(NC[C@@H]2CCCC[C@H]2NC(=O)C(N)=O)cn1 1064188023 KLXSLBZFVDWPGS-GXSJLCMTSA-N 302.338 -0.080 30 20 DBED C=C(C)CCC(=O)NC[C@@H]1CN(C(=O)CNC(N)=O)CCO1 1064837024 XPTVSJUUYLSPPP-LLVKDONJSA-N 312.370 -0.645 30 20 DBED C=CCn1cccc1C(=O)N1CCO[C@@H](CNC(=O)C(N)=O)C1 1065271121 KXMYSOYAMGAVIT-NSHDSACASA-N 320.349 -0.883 30 20 DBED CC#CCCCC(=O)N1CCO[C@H](CNC(=O)c2nc[nH]n2)C1 1065482993 CFCPNBZNCCGHSJ-GFCCVEGCSA-N 319.365 -0.045 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H]1CN(C(=O)c2cnon2)CCO1 1065509848 JKYSGOLWKOLVTR-MNOVXSKESA-N 322.321 -0.935 30 20 DBED N#Cc1cnc(NC[C@H]2CC[C@H](NC(=O)C(N)=O)CC2)cn1 1066443195 CTVZSZFZSVRYKB-MGCOHNPYSA-N 302.338 -0.080 30 20 DBED N#Cc1nccc(N2CC[C@]3(CCCN(C(=O)C(N)=O)C3)C2)n1 1066869470 AMPIOLNCMXHODQ-OAHLLOKOSA-N 314.349 -0.348 30 20 DBED N#Cc1cncc(N2C[C@H](CNC(=O)c3ccon3)[C@@H](O)C2)n1 1067654130 SVGYZRSPNUDQTG-CABZTGNLSA-N 314.305 -0.437 30 20 DBED Cn1nncc1C(=O)N1C[C@H]2CC[C@H]1CN2c1cncc(C#N)n1 1068040786 TWGCSDGRWUUFPY-NEPJUHHUSA-N 324.348 -0.030 30 20 DBED C=CCN1CCn2ncc(CNC(=O)[C@H]3CCN(C)C3=O)c2C1 1069870290 HDVHNUUVRAUOQU-CYBMUJFWSA-N 317.393 -0.021 30 20 DBED CC#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2[nH]cnc2C)C1 1070111619 RPRZVUIRGQXRCP-OLZOCXBDSA-N 313.365 -0.012 30 20 DBED N#CCN1C[C@H]2C[C@H]3CN(C(=O)[C@@H]4COCCO4)C[C@@]3(C1)O2 1070766985 NVAXCYGBIWHJJR-SFDCQRBFSA-N 307.350 -0.773 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1CCCN(C(=O)Cn2ncnn2)C1 1070775656 NUEYIPOSKCQSBN-LLVKDONJSA-N 306.370 -0.008 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)c2cn(C)nn2)CC1 1070961038 JQIPDLKVYDDCHD-UHFFFAOYSA-N 306.370 -0.735 30 20 DBED C#CCN[C@@H]1CCO[C@H]1C1CCN(C(=O)Cn2cncn2)CC1 1071102078 KFABQKHTVFXETH-ZBFHGGJFSA-N 317.393 -0.103 30 20 DBED C=CCOCC(=O)N1C[C@H](C)[C@H](NC(=O)C2(C(=O)NC)CC2)C1 1071809548 WEADBBKTVGJJQC-NWDGAFQWSA-N 323.393 -0.322 30 20 DBED C[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1NC(=O)C#CC1CC1 1072542819 BPLUKDBHKQGGCG-MWLCHTKSSA-N 302.338 -0.800 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(C)(NC(=O)CN2CCOCC2)CC1 1073228620 FADSALNVGDRGDG-ZDUSSCGKSA-N 322.409 -0.024 30 20 DBED COCCCC(=O)N1CCN(C2CN(C(=O)[C@H](C)C#N)C2)CC1 1073542393 SURZVYJMKDRFBV-CYBMUJFWSA-N 322.409 -0.072 30 20 DBED C#CCCN1CCCO[C@@H](CNC(=O)[C@@H]2CCC(=O)N2C)C1 1073732738 WKJMBXWTKNPPOW-KBPBESRZSA-N 307.394 -0.162 30 20 DBED C[C@@H]1C[C@H](NC(=O)CNC(N)=O)CCN1C(=O)C#CC1CC1 1074818605 IXQDLBHBLFPYCP-ZYHUDNBSSA-N 306.366 -0.436 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H](C)CCNC(=O)CNC(=O)C1CC1 1075741634 LSAFZJMSAXSYAY-NWDGAFQWSA-N 323.393 -0.438 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)c2c[nH]c3ccncc3c2=O)C1 1077072698 FWNIJPLLCHHYGA-ZIAGYGMSSA-N 314.345 -0.116 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2cc(Br)n[nH]2)C1 1077081903 QDCZPNUTZPVYCJ-RKDXNWHRSA-N 313.155 -0.420 30 20 DBED C=CCOCC(=O)N[C@@H](C)CCNC(=O)C(=O)NCC(F)F 1077223145 SMLKRQXMDXWIMY-VIFPVBQESA-N 321.324 -0.419 30 20 DBED C=CCCn1cc(C(=O)N[C@@H]2CN(C[C@H](C)OC)C[C@H]2O)nn1 1077812675 MHHTWFBVULEHNV-OUCADQQQSA-N 323.397 -0.336 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3nc[nH]c3C2)C1 1077962733 RPBOFTZUHFBDAZ-NILFDRSVSA-N 302.378 -0.301 30 20 DBED Cn1cnc(C(=O)N[C@H]2C[C@H](NCC#N)C23CCC3)cc1=O 1078649803 OFWOXFNPRFGCJR-RYUDHWBXSA-N 301.350 -0.066 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(N(CC)C(=O)CNC(C)=O)C1 1079226503 DHEAAVPRGIAHOH-HNNXBMFYSA-N 311.382 -0.491 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)CC(C)(C)O)C[C@H]1O 1081441558 JIQJVLGHTZICCE-CHWSQXEVSA-N 310.394 -0.114 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2nonc2C)C1 1081580404 OCZSUNGJXSNMDG-WDEREUQCSA-N 324.337 -0.870 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCCC[C@H]1CNC(=O)c1cnn[nH]1 1082075900 JDKUKWLSZVIDML-RYUDHWBXSA-N 319.365 -0.046 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN(Cc3ncnn3C)C[C@@H]2O)C1 1083756323 NTPKJQRKZHKTPN-NEPJUHHUSA-N 305.382 -0.167 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)Cn2nnc3c2CCCC3)C1 1083783091 ZKBXERAYKLMJOR-OCCSQVGLSA-N 305.382 -0.496 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2cnc(C3CC3)nc2O)C1 1083839033 ACYRKOQGPRCGMC-MNOVXSKESA-N 303.322 -0.642 30 20 DBED C=CCN1CC[C@H]1CN(C)C(=O)c1cn(CC(=O)N(C)C)nn1 1085986506 GJQFPSZZNNLQJH-LBPRGKRZSA-N 320.397 -0.301 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2cnon2)C[C@H]1c1cnn(C)c1 1087002869 UZLWSBKIQVRJMO-WCQYABFASA-N 300.322 -0.366 30 20 DBED CCN(c1ccnc(C#N)n1)[C@H](C)CNC(=O)CC(=O)NC 1089629829 RMPSRCPVIYMCOU-SNVBAGLBSA-N 304.354 -0.185 30 20 DBED N#Cc1c[nH]ccc1=NCC1(CCNC(=O)CNC(N)=O)CC1 1089902964 GHGPPLGLGQAMIV-UHFFFAOYSA-N 316.365 -0.258 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@@H]2CNC(=O)N2)CC2(CCOCC2)C1 1089953738 YISYANUVVJYSKS-STQMWFEESA-N 320.393 -0.712 30 20 DBED C=C(Cl)CN1CC[C@H](NC(=O)c2nccnc2N)[C@H](O)C1 1090145414 QRWCESJCWYVICA-VHSXEESVSA-N 311.773 -0.024 30 20 DBED COc1c[nH]c(C(=O)N[C@H]2CCN(CC#N)C[C@H]2O)cc1=O 1090432667 MBAXVKHUHMBDJR-JOYOIKCWSA-N 306.322 -0.928 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1O 1090489278 ZVVZFVSQIFXVRC-RAIGVLPGSA-N 315.333 -0.948 30 20 DBED C=CCN1CC[C@@H](NC(=O)c2cncc(C(N)=O)c2)[C@H](O)C1 1090822545 BGYKZDMHLKFVHV-CHWSQXEVSA-N 304.350 -0.469 30 20 DBED CC#CCN1C[C@@H](C)[C@H](CNC(=O)[C@H]2COCCN2C(C)=O)C1 1093210167 LLCGBAWVBZSMKN-FVQBIDKESA-N 321.421 -0.059 30 20 DBED COC(=O)[C@@H]1C[C@H]1C(=O)NCCNc1nc(C)cc(C#N)n1 1093518163 JUSNXHKTSMHTDW-GHMZBOCLSA-N 303.322 -0.006 30 20 DBED Cn1oc(C(=O)N2CCC(OC3CN(CC#N)C3)CC2)cc1=O 1093530979 JZBPJBRJNOLFQD-UHFFFAOYSA-N 320.349 -0.193 30 20 DBED N#Cc1nc(=NCCNC(=O)[C@@H]2CN3CCC2CC3)cc[nH]1 1093897652 BXYXLLWULKLBOR-GFCCVEGCSA-N 300.366 -0.360 30 20 DBED N#Cc1cnc(NCCNC(=O)C[C@H]2CCCC(=O)N2)cn1 1094258446 NHMVTKZZBMBXSD-SNVBAGLBSA-N 302.338 -0.065 30 20 DBED N#Cc1cncc(NCCCNC(=O)C[C@H]2CCC(=O)N2)n1 1094494802 XFMJCZUVHNHJGO-SNVBAGLBSA-N 302.338 -0.065 30 20 DBED CN1CC[C@@H](C(=O)NCCCNc2cncc(C#N)n2)C1=O 1094705697 USYBPSAXKZNQHE-NSHDSACASA-N 302.338 -0.255 30 20 DBED N#CCN1CC(N2C[C@H](NC(=O)c3csc(O)n3)CC2=O)C1 1094773957 IBRILYSFDPPERM-MRVPVSSYSA-N 321.362 -0.613 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)c3ccn(C)c3C)CC2=O)C1 1094781984 GFYROJLZJUZBAW-ZDUSSCGKSA-N 314.389 -0.018 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN1CC(=O)N(C)C1=O 1096334900 NNSLULYZPLVSLH-WOPDTQHZSA-N 304.350 -0.765 30 20 DBED N#Cc1ccc(N2CCC3(CC2)C[C@@H]3NC(=O)CC(N)=O)nn1 1096508415 XZBBISPWDIYIMB-NSHDSACASA-N 314.349 -0.301 30 20 DBED N#Cc1nc(=N[C@@H](CNC(=O)CCCC(N)=O)C2CC2)cc[nH]1 1096683914 VXFIPMMOBSGANF-NSHDSACASA-N 316.365 -0.268 30 20 DBED N#Cc1nccnc1N[C@H]1CCN(C(=O)C(=O)NCC2CC2)C1 1096953411 CRGOKGAMWNKTET-NSHDSACASA-N 314.349 -0.113 30 20 DBED N#Cc1ccc(N2CCCC[C@H]2CNC(=O)CNC(N)=O)nn1 1097393018 LLJFSQPJYJPYJE-NSHDSACASA-N 317.353 -0.508 30 20 DBED C[C@@H](CNC(=O)Cn1cnnc1O)Nc1nccnc1C#N 1097787882 QDTMEHQIVCYUGL-QMMMGPOBSA-N 302.298 -0.738 30 20 DBED C[C@@H](CNC(=O)C[C@H]1CCC(=O)NC1)N=c1cc[nH]c(C#N)n1 1098096544 XGBQQXXIYCYGLL-WDEREUQCSA-N 316.365 -0.397 30 20 DBED C[C@@H](CNC(=O)[C@@H](C)S(C)(=O)=O)Nc1cncc(C#N)n1 1098392721 JCIZDDSTEHZKKP-DTWKUNHWSA-N 311.367 -0.302 30 20 DBED C#CCN(CCO)C1CCN(C(=O)[C@@]2(C)CNC(=O)C2)CC1 1098437099 LODBDVBFOGLNRR-MRXNPFEDSA-N 307.394 -0.569 30 20 DBED Cn1nncc1C(=O)N1CC[C@@H](n2cc(CNCC#N)nn2)C1 1098666867 JLICRNVUDVFXLH-LLVKDONJSA-N 315.341 -0.893 30 20 DBED Cc1cc(=N[C@H](C)CCNC(=O)Cn2ncnn2)c(C#N)c[nH]1 1099553501 NNESKFUTVPDZLB-SNVBAGLBSA-N 314.353 -0.323 30 20 DBED C=CCCC(=O)N[C@@H]1CCN(CCNS(C)(=O)=O)C[C@H]1O 1099723084 DGNIIVUIRZSWOH-VXGBXAGGSA-N 319.427 -0.947 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2ccnc(O)c2)[C@@H](O)C1 1099765711 AKQNYYSCBBEUNW-KGLIPLIRSA-N 319.361 -0.398 30 20 DBED CCC(=CC(=O)N[C@@H]1CCN(CC(=O)NCC#N)C[C@@H]1O)CC 1099780647 KPELSBGXVJVMCF-KGLIPLIRSA-N 322.409 -0.076 30 20 DBED Cn1ccnc1COCC(=O)N[C@H]1CCN(CC#N)C[C@@H]1O 1099888774 ZGNHTTIRZLSBBH-RYUDHWBXSA-N 307.354 -0.988 30 20 DBED CCc1nc(C#N)cc(N(C)CCNC(=O)[C@@H]2COCCO2)n1 1099943335 ICVBIRVZXHTYKD-LBPRGKRZSA-N 319.365 -0.122 30 20 DBED CN(CCNC(=O)C1CS(=O)(=O)C1)c1ccc(C#N)nc1 1100164940 DYZOYRZYBTZKAH-UHFFFAOYSA-N 308.363 -0.450 30 20 DBED C#CCOCCC(=O)NCC1CC(N[C@H](C)c2nnnn2C)C1 1100325949 DFKFTAFEFQVIBR-PNESKVBLSA-N 320.397 -0.205 30 20 DBED CN(CCNC(=O)c1ccnc2[nH]nnc12)c1ccnc(C#N)n1 1100415070 WJPHEXNNNPJACP-UHFFFAOYSA-N 323.320 -0.119 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)CCCCC(N)=O)C1 1100842495 BSFRGMPMMXBGCE-UHFFFAOYSA-N 322.409 -0.734 30 20 DBED Cc1nonc1C(=O)NCC1CC(NCC(=O)NCC#N)C1 1101071642 SCIWKUMCYIWVNN-UHFFFAOYSA-N 306.326 -0.884 30 20 DBED C[C@H](NC(N)=O)C(=O)NCCN(c1cnc(C#N)cn1)C1CC1 1101326864 ABVMHHPIARJXBP-VIFPVBQESA-N 317.353 -0.510 30 20 DBED CNC(=O)NC(C)(C)C(=O)N(C)CCNc1nccnc1C#N 1101644194 GVVFCNTUNGUDMX-UHFFFAOYSA-N 319.369 -0.074 30 20 DBED COCC(=O)NCCC(=O)N(C)CCNc1ccc(C#N)nc1 1102004124 DMAGBLSEWIVKJP-UHFFFAOYSA-N 319.365 -0.024 30 20 DBED CC(=O)N[C@@H](C)C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(C#N)nn1 1102538190 OHLDPLXXBBJDMQ-XDTLVQLUSA-N 314.349 -0.338 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)C[C@@H]1CCC(=O)N1 1104614364 VTVSCOKMIMXYBQ-QWRGUYRKSA-N 316.365 -0.302 30 20 DBED CN(C)C(=O)CC(=O)N1CCC(OC2CN(CC#N)C2)CC1 1105726816 SYHFLIBNAKQMNO-UHFFFAOYSA-N 308.382 -0.320 30 20 DBED CCN(CC)CC(=O)NC[C@@H](O)CNc1nc(C)cc(C#N)n1 1105869326 POKNNBDVOCHVQJ-CYBMUJFWSA-N 320.397 -0.113 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H](O)CNc2cnc(C#N)cn2)cn1 1105909138 FARWYBDOOGETRB-AWEZNQCLSA-N 322.328 -0.073 30 20 DBED N#Cc1cccnc1NC[C@H](O)CNC(=O)C[C@H]1CCNC1=O 1106002070 CMQXTIVXXORIMN-ZYHUDNBSSA-N 317.349 -0.632 30 20 DBED C[C@]1(C(=O)NCc2cn(C3CN(CC#N)C3)nn2)CCOC1 1107222567 OOMRHQARETVWKE-AWEZNQCLSA-N 304.354 -0.299 30 20 DBED N#Cc1nccnc1NC/C=C/CNC(=O)[C@H]1CCCNC1=O 1107389538 MVZLDFAIWIPVOY-FMBMQGQPSA-N 314.349 -0.041 30 20 DBED N#Cc1nc(=NC/C=C\CNC(=O)C2(C(N)=O)CC2)cc[nH]1 1107480326 GGOZNCUTYDMQAV-UPHRSURJSA-N 300.322 -0.880 30 20 DBED CNC(=O)CN1CCO[C@@](C)(CNC(=O)c2ccc(C#N)[nH]2)C1 1107875971 GCJIOICMMZTQIT-HNNXBMFYSA-N 319.365 -0.547 30 20 DBED CC[C@H](C(N)=O)N1CCO[C@](C)(CNC(=O)C#CC2CC2)C1 1107932327 JZOWHJMPCZPRAM-CZUORRHYSA-N 307.394 -0.129 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)[C@@H]1CCCCC(=O)N1 1108105729 PKZIYHIMCCGEAZ-MNOVXSKESA-N 316.365 -0.254 30 20 DBED C[C@@H](CNc1nccnc1C#N)NC(=O)CN1CCOCC1 1108318583 AZOKZENKLFIGSS-NSHDSACASA-N 304.354 -0.403 30 20 DBED C[C@@H](CN=c1cc[nH]cc1C#N)NC(=O)c1cn(C)c(=O)cn1 1108792966 NMIMDXHRITVHEW-JTQLQIEISA-N 312.333 -0.301 30 20 DBED Cc1cc(N(C)C[C@@H](C)NC(=O)CNC(N)=O)c(C#N)cn1 1108816060 JDEHIMSNMUYCKX-SNVBAGLBSA-N 304.354 -0.129 30 20 DBED C[C@H](CN(C)c1ccnc(C#N)n1)NC(=O)c1cn(C)nn1 1108925056 JSELVLFAJHPCMI-SECBINFHSA-N 300.326 -0.269 30 20 DBED C[C@H](CN(C)c1ccncc1C#N)NC(=O)Cn1cnnc1O 1108944323 ACLKNYXWMNYINX-SNVBAGLBSA-N 315.337 -0.109 30 20 DBED C[C@@H](CN(C)c1cnc(C#N)cn1)NC(=O)[C@H]1CC(=O)N(C)C1 1109295791 OAKIDOBXKQUGDR-QWRGUYRKSA-N 316.365 -0.233 30 20 DBED CCOCC(=O)N1CCO[C@H](CN=c2cc[nH]c(C#N)n2)C1 1111928536 YAINEMXYNUZFSH-LLVKDONJSA-N 305.338 -0.554 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 1112966314 WQNSSPXJSIUIJB-HNNXBMFYSA-N 308.426 -0.227 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)[C@@]2(C)CNC(=O)C2)CC1 1113137384 VIXUHGBYTAUPHX-MLGOLLRUSA-N 322.409 -0.653 30 20 DBED C#CCOCCC(=O)N[C@@H](C)[C@@H](C)Nc1ccc2nnnn2n1 1113165453 KVCMNANIZSTVCT-MNOVXSKESA-N 317.353 -0.136 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)CNC(=O)C2CCC2)CC1 1113677788 OXOSIBGASTUMPK-UHFFFAOYSA-N 322.409 -0.651 30 20 DBED C[C@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)N(C)c1cncc(C#N)n1 1113802715 SMVFGWWJVMHIGJ-KOLCDFICSA-N 317.353 -0.687 30 20 DBED N#CCNC(=O)CN1C[C@H]2C(NC(=O)CCc3ccco3)[C@@H]2C1 1113852460 KROOPODSYIBUNF-CHWSQXEVSA-N 316.361 -0.102 30 20 DBED C[C@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)N(C)c1cncc(C#N)n1 1113882263 SAUOJVYPFAGUIW-IEBDPFPHSA-N 302.338 -0.589 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)CCc3nc[nH]n3)[C@H]2C1 1114117029 MHSASTRADQYOMV-HBYGRHMLSA-N 318.381 -0.914 30 20 DBED C=C(C)CN1C[C@H]2C(NC(=O)CCc3nnc(O)nc3O)[C@@H]2C1 1114512816 HCOWEHPXOVIQEF-NXEZZACHSA-N 319.365 -0.162 30 20 DBED C=C(C)CN(CC)C(=O)[C@H](C)N1C[C@H]2C(NC(=O)C(N)=O)[C@@H]2C1 1114754632 FHRVJKSXJLHFLR-QJPTWQEYSA-N 322.409 -0.669 30 20 DBED C=CCCCN1C[C@H]2C(NC(=O)[C@@H](C)NS(C)(=O)=O)[C@@H]2C1 1114888817 OLQPZSPORISUMD-IJLUTSLNSA-N 315.439 -0.063 30 20 DBED CC1(C(=O)NC2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]23)CCOCC1 1114977822 JEGNUSHSWODUOG-VXGBXAGGSA-N 320.393 -0.511 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)C(C)(C)NC(C)=O)[C@H]2C1 1114981744 AODAFCIAIRTYGE-WDNDVIMCSA-N 307.394 -0.403 30 20 DBED C#CCCN1C[C@H]2[C@H](NC(=O)CNC(=O)c3ccccn3)[C@H]2C1 1115282346 MYOXHUVEGITJSN-VIKVFOODSA-N 312.373 -0.119 30 20 DBED Cc1cc(NC(=O)C(=O)N2C[C@H](C)[C@@H](O)C2)n(CCC#N)n1 1116473900 SIHPBZPOFGBVPR-ONGXEEELSA-N 305.338 -0.117 30 20 DBED C[C@@H](CN(C)C(=O)[C@@H]1CNC(=O)N1)Nc1ccc(C#N)nn1 1120633916 IYMWIRKTPWPCTQ-WPRPVWTQSA-N 303.326 -0.712 30 20 DBED C=CCNC(=O)CNC1CC2(C1)CC(NC(=O)c1cnn[nH]1)C2 1121353944 MYEFQYTVXLJVEC-UHFFFAOYSA-N 318.381 -0.263 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)[C@H]2CCC(=O)NC2)cn1 1122830702 VOLLXTHIXZAVOW-GWCFXTLKSA-N 317.349 -0.632 30 20 DBED N#Cc1ccc(N2CC[C@]3(NC(=O)CC(N)=O)CCC[C@@H]23)nn1 1123393475 GYOCTLFBPBBBPW-IAQYHMDHSA-N 314.349 -0.159 30 20 DBED CCCN(C)CC(=O)N(C)C[C@H](O)CNc1cnc(C#N)cn1 1124442734 UEWXLUJXENTIGV-CYBMUJFWSA-N 320.397 -0.079 30 20 DBED COCCOC[C@@H](O)CNCCNC(=O)c1c[nH]c(C#N)c1 1125987916 HSTVENGXNORIHQ-ZDUSSCGKSA-N 310.354 -0.770 30 20 DBED N#CCNC(=O)CNCCNC(=O)[C@H]1C[C@@H]2CCCCN2C1 1127256645 QGQOSMTUIISXFX-STQMWFEESA-N 307.398 -0.794 30 20 DBED C=CCCC(=O)N[C@@H]1CN([C@@H](C)C(N)=O)C[C@@H]1n1ccnn1 1128816383 JPSDVLLUOBQKLP-TUAOUCFPSA-N 306.370 -0.540 30 20 DBED C=CCCN[C@@H]1CN(C(=O)CNC(=O)CC)C[C@@H]1n1ccnn1 1129685409 RJJNRECPTSEZFR-OLZOCXBDSA-N 320.397 -0.278 30 20 DBED C=C[C@](C)(O)CC(=O)N1C[C@H](n2ccnn2)[C@H](NCCOC)C1 1129795939 VCSCTMUZAIBQDU-IPYPFGDCSA-N 323.397 -0.407 30 20 DBED COC(=O)NCC(=O)N1C[C@@H]2C[C@@H]3CN(CC#N)C[C@]2(C1)O3 1131190593 KJEYPSLLBRCMHP-MISXGVKJSA-N 308.338 -0.832 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)COCC(F)F 1131765906 QAAJLUPCKRNWKV-UHFFFAOYSA-N 320.340 -0.264 30 20 DBED C#CCNC(=O)CN1C[C@H](NC(=O)c2[nH]nnc2C)CC[C@@H]1C 1132212454 YURCRCBHLTZUFX-CMPLNLGQSA-N 318.381 -0.555 30 20 DBED COc1ccc(CNCCNC(=O)[C@H]2C[C@H]2C(N)=O)cc1C#N 1133942856 IMJNEVCXYKNQCU-OLZOCXBDSA-N 316.361 -0.106 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)Cc1cc(C)[nH]n1 1134056439 PUCQPAFXSQTKQW-NEPJUHHUSA-N 319.409 -0.117 30 20 DBED CC#CCN[C@@H](C)C[C@@H](C)NC(=O)CCNS(C)(=O)=O 1134509592 VMAMORQZSIMMRS-NWDGAFQWSA-N 303.428 -0.178 30 20 DBED C=CCCn1cc(C(=O)N[C@H](C)C[C@@H](C)NCC(N)=O)nn1 1135667482 UBPXWKSFITXONX-GHMZBOCLSA-N 308.386 -0.174 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)c1cn(CCC)nn1 1135973301 VTCQNGHBZZOSDZ-NSHDSACASA-N 308.386 -0.302 30 20 DBED N#CCSCC(=O)N1CC2(CCN([C@@H]3CCNC3=O)C2)C1 1147031549 ZCBNKHBGTGWBBI-LLVKDONJSA-N 308.407 -0.334 30 20 DBED COCC#CCN1CCC2(C1)CN(C(=O)CNC(=O)OC)C2 1147082567 AYUZLFPRMXJLQW-UHFFFAOYSA-N 309.366 -0.474 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)C[C@@H](C)N1CCCC1=O 1147614656 GZRFZRCDECKDIF-OLZOCXBDSA-N 322.409 -0.769 30 20 DBED C#CCOc1ncccc1C(=O)NCCNCc1nncn1C 1148302629 SCGMFRXUVMQICG-UHFFFAOYSA-N 314.349 -0.258 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)CCc1cncn1C 1149570959 ILZVGGPNIWNLML-LBPRGKRZSA-N 305.382 -0.804 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)C[C@H]2CCC(=O)N2C)C1 1150077762 BBGKJBYAGLRWPU-ZIAGYGMSSA-N 307.394 -0.162 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)NCCNC[C@@H]1CCOC1 1152404444 CNRCVRCYLVAUOW-LBPRGKRZSA-N 312.414 -0.008 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H](C)N(CC)CC(=O)NC(N)=O 1153306026 DGFPAEPRCBUEIP-MNOVXSKESA-N 312.370 -0.954 30 20 DBED C#CCNC(=O)CC(=O)NCCCNC[C@@H](O)c1ccccc1 1156848361 ZIRULSJYVAXLLO-OAHLLOKOSA-N 317.389 -0.045 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)CO[C@H]1CCOC1 1157952305 AWAIFFLBNHOWAO-OLZOCXBDSA-N 313.398 -0.422 30 20 DBED C=CCn1cc(C(=O)NCCCNCc2ncnn2CC)nn1 1167839007 QCPVCCOPUAGFHF-UHFFFAOYSA-N 318.385 -0.015 30 20 DBED COCC#CCNCCCC[C@@H](C)NC(=O)[C@H]1CNC(=O)N1 1174972899 XQXLCHMNMKAQAC-CHWSQXEVSA-N 310.398 -0.418 30 20 DBED C=CCNC(=O)CNCCCCCCNC(=O)CNC(C)=O 1177780815 WFZJLOCTPJSQTC-UHFFFAOYSA-N 312.414 -0.309 30 20 DBED N#CCNC[C@H]1C[C@H]2CC[C@H]1N(C(=O)c1nnc(O)nc1O)C2 1177829913 NBVNIQLXQNXGQM-OPRDCNLKSA-N 318.337 -0.363 30 20 DBED C#CCCCC(=O)N1CC[C@H](NCc2nc(=O)n(C)[nH]2)[C@@H]1C 1178599372 CLOUEBJZOROBBC-RYUDHWBXSA-N 305.382 -0.009 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2cnn(CC)n2)[C@H]1C 1178621320 HWCBSOKBPJNSEF-RYUDHWBXSA-N 318.381 -0.760 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)c2cncnc2C)C1 1181194239 WZLRKCNAHQVKSV-GFCCVEGCSA-N 303.366 -0.109 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H](n2cc(CNCC(N)=O)nn2)C1 1185900142 RSGKMVKSZLZYGE-CMPLNLGQSA-N 319.369 -0.824 30 20 DBED C=CCOCC(=O)N1CC[C@H](N(C)[C@H](C)C(=O)NC(N)=O)C1 1189371360 QCMBFMHYNOTKLO-MNOVXSKESA-N 312.370 -0.695 30 20 DBED Cc1cc(NC(=O)CN2C[C@@H](O)[C@H](NC(=O)[C@@H](C)C#N)C2)on1 1191853520 DIPDLXIMSNTGEZ-JMJZKYOTSA-N 321.337 -0.758 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(Cc2cnnn2CC)C[C@H]1O 1192504084 VGBGSHCQXZXPLJ-ZIAGYGMSSA-N 305.382 -0.237 30 20 DBED C#CCCN(C)[C@@H]1CCN(C(=O)C(C)(C)NS(C)(=O)=O)C1 1192748636 CQRRKWJFGAXEHJ-GFCCVEGCSA-N 315.439 -0.130 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCCN([C@@H](C)c2nnnn2C)CC1 1195791863 LJIXOOOIVOZJPM-STQMWFEESA-N 320.397 -0.156 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)c2cccc(=O)n2C)C1 1196062308 QQGPTIPGXNEJMY-TZMCWYRMSA-N 321.377 -0.637 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)COC[C@H]2CCOC2)C1 1196583655 ZOQLPWGIMBQOGG-YNEHKIRRSA-N 318.801 -0.047 30 20 DBED C#CCNC[C@@H]1CN(C(=O)[C@]2(C)CCNC(=O)C2)CCCO1 1200796142 UDEBPYLRKSJYGC-CZUORRHYSA-N 307.394 -0.257 30 20 DBED Cc1nnccc1C(=O)N1CCC(NCC(=O)NCC#N)CC1 1201462121 KTYUPUBQGGNZGJ-UHFFFAOYSA-N 316.365 -0.381 30 20 DBED CC(=O)N1CC[C@@](C)(C(=O)N2CCCO[C@@H](CNCC#N)C2)C1 1201800640 NCCDOCJXJZTEBT-GOEBONIOSA-N 322.409 -0.024 30 20 DBED CNS(=O)(=O)CCC(=O)N[C@@H]1C[C@@H](NCC#N)C12CCC2 1202930414 UVPHAODHRCXDCK-GHMZBOCLSA-N 314.411 -0.534 30 20 DBED C#CCNC(=O)[C@@H](C)NCC1CCN(C(=O)CC(=O)NC)CC1 1205067882 FTIQGIUXDRZLQT-GFCCVEGCSA-N 322.409 -0.911 30 20 DBED COCC#CCN[C@H]1CCCN(C(=O)C2CN(C(C)=O)C2)C1 1207898209 MBMAYLVHDALWNN-HNNXBMFYSA-N 307.394 -0.305 30 20 DBED CO[C@@H](C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C)C(C)C 1208500847 WXHIARNEMXUNHK-YRGRVCCFSA-N 310.398 -0.266 30 20 DBED COCC#CCN[C@H]1CCCN(C(=O)c2cn(C)c(O)n2)C1 1209432583 LLBBJERCIDKWKR-LBPRGKRZSA-N 306.366 -0.030 30 20 DBED C=CCOCCN1C[C@@H](NC(=O)CN2CC(=O)NC2=O)[C@H](C)C1 1209566248 TZMRPDKJERLSCS-VXGBXAGGSA-N 324.381 -0.823 30 20 DBED C=C(C)CCN[C@@H]1CCCN(C(=O)C[C@H](NC(C)=O)C(N)=O)C1 1209974466 XKHFKLHPYHDQAJ-KGLIPLIRSA-N 324.425 -0.087 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCN(C(=O)C23CCN(CC2)C3)C1 1210674399 VAFLBZXEMAJFCF-CYBMUJFWSA-N 319.409 -0.697 30 20 DBED CO[C@@H]1CN(CCS(C)(=O)=O)C[C@H]1NC(=O)C#CC(C)C 1212233781 HIZWTUUFRFACAN-CHWSQXEVSA-N 316.423 -0.494 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)COC(C)C)C[C@H]1C 1214276318 ZMHWBSFLBLCTAH-MGPQQGTHSA-N 309.410 -0.014 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)CCSC)C1 1219167396 VSBNRELXIMONIJ-TUAOUCFPSA-N 315.439 -0.409 30 20 DBED C=CCCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2n[nH]c(C)n2)C[C@@H]1O 1219324456 QICSLMFRNFHKNF-UHTWSYAYSA-N 323.397 -0.244 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(CC(=O)N(C)C(C)C)C[C@@H]1O 1219361699 AAUWFRVCKMGTSC-OLZOCXBDSA-N 313.398 -0.783 30 20 DBED C[C@H](C(=O)NC1CC1)N1C[C@H](O)[C@H](NC(=O)C#CC2CC2)C1 1219594449 MACFGGKUCNSJFH-HONMWMINSA-N 305.378 -0.772 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)COCc2ncnn2C)C1 1220661828 CBOURPRIROOLDC-NEPJUHHUSA-N 309.370 -0.931 30 20 DBED C=CC[C@H](C(=O)N[C@@H]1CN(CC(N)=O)C[C@@H]1O)c1ccccc1 1221028731 ANUYLURHBZMLCH-ZNMIVQPWSA-N 317.389 -0.007 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)c2cnsn2)CC1 1222455842 VNFGAAVUYDUCMQ-UHFFFAOYSA-N 321.406 -0.271 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)C2=CCOCC2)CC1 1222921186 PUUIDPOTWGFCBP-UHFFFAOYSA-N 319.405 -0.089 30 20 DBED C=CCN1CCC(CNC(=O)CN2CC(=O)N(C)C2=O)CC1 1225148908 BEFMQUICRXWWAV-UHFFFAOYSA-N 308.382 -0.105 30 20 DBED C[C@](O)(CC(=O)NC1CCN(CC(=O)NCC#N)CC1)C1CC1 1226934817 WXVYNMVRCGBLOE-INIZCTEOSA-N 322.409 -0.242 30 20 DBED C#CCOCCC(=O)N(C)C[C@H]1CCN1[C@H]1CCCNC1=O 1234264839 DPIYTOKLOUIEBB-KGLIPLIRSA-N 307.394 -0.162 30 20 DBED C#CCNC(=O)CCNC[C@H]1CCCC[C@H]1NS(C)(=O)=O 1262573754 CGHJEJPBWSEFQO-CHWSQXEVSA-N 315.439 -0.177 30 20 DBED C[C@@H]1CCN(CCNC(=O)C(=O)Nc2cnn(CC#N)c2)C1 1319348527 UQEIXFMKKNHZDY-LLVKDONJSA-N 304.354 -0.197 30 20 DBED C=CCN(C)C(=O)C(=O)NC[C@@H]1CCC[C@]12NC(=O)N(C)C2=O 1324219697 VXKHLGPKZPMBAF-BONVTDFDSA-N 322.365 -0.533 30 20 DBED CN1C(=O)CC[C@H](NC(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)C1=O 1326731152 IGGOFVMMRBXDFL-AEJSXWLSSA-N 306.322 -0.942 30 20 DBED C#CC1CCN(C(=O)C(=O)N2CCN(C(C)=O)C[C@@H]2C)CC1 1328425334 IFIVPVCSLKEMCR-LBPRGKRZSA-N 305.378 -0.063 30 20 DBED C#CCN(CC1CC1)S(=O)(=O)CCS(=O)(=O)N(C)C 1331911739 UHWBDXHMEOJNAK-UHFFFAOYSA-N 308.425 -0.447 30 20 DBED C=CCN(C(=O)C(=O)NCCCS(=O)(=O)NC)C1CC1 1333203347 SYCDNSQVFLZMTE-UHFFFAOYSA-N 303.384 -0.781 30 20 DBED C#CCOCCNC(=O)C(=O)N(C)CC(C)(C)S(C)(=O)=O 1336139390 PAATYKCAKNZNNR-UHFFFAOYSA-N 318.395 -0.966 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)Nc1ccc(-n2cncn2)nc1 1338114360 ZGXPUVJZWSSRPN-SNVBAGLBSA-N 316.321 -0.082 30 20 DBED CN(C[C@@H](O)C1CC1)C(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1348619517 YDRMJXAUEJDXJP-ZIAGYGMSSA-N 320.393 -0.586 30 20 DBED C#CC1(O)CN(C(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)C1 1351988938 COZYIBWLKLECJS-QMMMGPOBSA-N 305.256 -0.461 30 20 DBED C=CCNC(=O)Cn1nnnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1355580670 BASJOFOYJHFNDW-NWDGAFQWSA-N 322.369 -0.641 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1C[C@@H](NC(=O)c2ccc(O)nn2)C1 1371706141 PKIWZGUFXBPOOG-BBBLOLIVSA-N 303.322 -0.034 30 20 DBED N#Cc1cc(CNC(=O)CN2CCS(=O)(=O)CC2)ccn1 1412101536 UCEKSCJZBSGRFI-UHFFFAOYSA-N 308.363 -0.700 30 20 DBED CC[C@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)[C@H]1COCCO1 1416197032 JPNPREWUROYUOD-DGCLKSJQSA-N 320.349 -0.074 30 20 DBED CCC[C@@](C)(NC(=O)Cn1cc(C#N)c(O)nc1=O)C(=O)OC 1433619414 CHEWMOIRVOOPMD-CQSZACIVSA-N 322.321 -0.331 30 20 DBED C=C(Cl)CN1CC[C@H]1CNC(=O)CN(C)S(C)(=O)=O 1439539669 QFDQCRUVMMYEKR-JTQLQIEISA-N 309.819 -0.179 30 20 DBED C=C(Cl)CN[C@H]1CN(C(=O)CS(=O)(=O)NC)C[C@@H]1C 1440596017 GSUCQBQGLCVZEM-WPRPVWTQSA-N 309.819 -0.275 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)CCn2ccnn2)C1 1479951694 YRUHLIDMNSAQGB-LBPRGKRZSA-N 306.370 -0.839 30 20 DBED C=C(Cl)CNC[C@H](O)CN(C)C(=O)c1cnnc(O)c1 1486282938 MTNJKWJRLLCXBY-JTQLQIEISA-N 300.746 -0.043 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C)C(=O)C[C@@H]1CCS(=O)(=O)C1 1496499089 ABTWLXSNZQIOBT-QWRGUYRKSA-N 315.395 -0.455 30 20 DBED CC(=O)NCC(=O)NC[C@H](NC(=O)c1ccc(C#N)[nH]1)C(C)C 1500719018 FFRDISSXXJQHBV-ZDUSSCGKSA-N 319.365 -0.107 30 20 DBED CC[C@H](C)C[C@@H](NS(=O)(=O)N1CCO[C@@H](C#N)C1)C(=O)O 1573676496 ABGCJPXRICVCKE-GARJFASQSA-N 319.383 -0.065 30 20 DBED CNC[C@@H](O)CN(C)C(=O)NCCNc1ccc(C#N)cn1 1578646780 KRPOFQZHWXVTOL-GFCCVEGCSA-N 306.370 -0.413 30 20 DBED N#Cc1ncc(N[C@H](CO)[C@H]2CCOC2)nc1-c1nn[nH]n1 1592710749 XVUKHBAPDRVAPH-IONNQARKSA-N 302.298 -0.662 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 1602722330 MOFWNMYMXXBYTH-NSHDSACASA-N 315.337 -0.741 30 20 DBED Cc1onc(CC(=O)N[C@H](CC2OCCO2)C(=O)O)c1C#N 1608058156 GFNUGAQZZATUGD-SNVBAGLBSA-N 309.278 -0.270 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N2CCC(CC(=O)O)CC2)CCO1 1610620859 PBUOXAGDEOWIJE-LLVKDONJSA-N 317.367 -0.358 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CCN(CC(=O)NC(=O)NC2CC2)C1 1690090293 DBFJKHVDBZSGSL-CYBMUJFWSA-N 320.393 -0.176 30 20 DBED N#CCNC(=O)CN[C@H]1C[C@@H](NC(=O)c2ccncc2F)C1 1752721796 HTUWCKAOQJYNOY-AOOOYVTPSA-N 305.313 -0.289 30 20 DBED CC(C)[C@H](C(=O)N[C@H]1C[C@@H](NCC(=O)NCC#N)C1)N(C)C 1752766138 QRNCXRBPICAXOL-MBNYWOFBSA-N 309.414 -0.551 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@@H](NC(=O)C[C@H](C)n2cccn2)C1 1752772062 MDHVOCLCCWCSAW-MELADBBJSA-N 317.393 -0.180 30 20 DBED C=CCNC(=O)[C@H](C)N[C@H](C)CNC(=O)c1cnc(O)n1C 1752891882 RVSCWNOGKFFVFZ-ZJUUUORDSA-N 309.370 -0.476 30 20 DBED CC(C)N1CCCC[C@H]1C(=O)NCCN(C)CC(=O)NCC#N 1753066965 VVCRDCATCFYBME-AWEZNQCLSA-N 323.441 -0.063 30 20 DBED C=CCNC(=O)CN1CC(NC(=O)CC2CCN(C)CC2)C1 1753388535 DPFRIUGIGCTAPV-UHFFFAOYSA-N 308.426 -0.179 30 20 DBED N#CCNC(=O)CN1CC(NC(=O)CC[C@H]2CCCCO2)C1 1753390718 XYHDRVSSOVAIMH-CYBMUJFWSA-N 308.382 -0.224 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCC1CN(CC(=O)NCCC)C1 1753403857 LLIBALLMFVGTLC-HNNXBMFYSA-N 320.437 -0.342 30 20 DBED C#CCNC(=O)[C@H](C)N1CC(CNC(=O)c2csc(O)n2)C1 1753408094 FKQUNGGXVWKCGT-VIFPVBQESA-N 322.390 -0.352 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@H](N(C)C(=O)Cc2cnoc2)C1 1753441120 CEXOFFAQLMIMEA-OCCSQVGLSA-N 318.377 -0.112 30 20 DBED CC#CCN[C@@H](CC)CNC(=O)CN(C)S(=O)(=O)CC 1753493325 YHXPYWNFSHEDHT-LBPRGKRZSA-N 303.428 -0.224 30 20 DBED C=CCNC[C@@](C)(NC(=O)CN(C)S(C)(=O)=O)C1CC1 1753519126 XHFPCJBYPLLYII-CYBMUJFWSA-N 303.428 -0.062 30 20 DBED CC#CCN1CC[C@@](O)(CNC(=O)[C@@H]2CC(=O)N(CC)C2)C1 1754754195 LXXDAJVJZAQBSM-CZUORRHYSA-N 307.394 -0.569 30 20 DBED C#CCCCCC(=O)NCC1(O)CN([C@@H]2CCC(=O)NC2=O)C1 1754775328 UNWQXTWZTMPIPU-GFCCVEGCSA-N 321.377 -0.852 30 20 DBED C[C@@H](NCC(=O)NCC#N)[C@H]1CCN(C(=O)CSCC#N)C1 1754788146 QYOYFBSOWPYJDE-NEPJUHHUSA-N 323.422 -0.290 30 20 DBED Cn1cnn(CCC(=O)N[C@H]2CC[C@H](CNCC#N)CC2)c1=O 1754955063 WUJMBRMPQQCOQQ-JOCQHMNTSA-N 320.397 -0.240 30 20 DBED CC#CCNC[C@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)CCO1 1755007781 BRVWEYQSZSFOTN-RDBSUJKOSA-N 307.394 -0.272 30 20 DBED CCN(CCC#N)C(=O)CN[C@H]1CN(C(=O)CC(N)=O)C[C@H]1C 1755107578 QCBWRCGZSHZUKX-NEPJUHHUSA-N 323.397 -0.940 30 20 DBED C#CCNC(=O)CN[C@H](C)[C@@H](C)NC(=O)CN1CCC(C)CC1 1755259422 CONUCSHWSHAFGT-HUUCEWRRSA-N 322.453 -0.050 30 20 DBED C=CCN(C)[C@H](C)CNC(=O)c1cn(CC(=O)N(C)C)nn1 1755329087 WBKQXXQTQZAAEN-LLVKDONJSA-N 308.386 -0.398 30 20 DBED COCc1nn(C)cc1C(=O)NC1(CCO)CN(CC#N)C1 1755332460 ALHGQHXWCSDIIF-UHFFFAOYSA-N 307.354 -0.743 30 20 DBED CCc1cc(C(=O)N[C@H](C)C2CN(CC(=O)NCC#N)C2)n[nH]1 1755370117 ISQUEMIVENCRKR-SNVBAGLBSA-N 318.381 -0.338 30 20 DBED C[C@H](NC(=O)c1cncc(F)c1)C1CN(CC(=O)NCC#N)C1 1755373004 IGVTUXSXNQXDSL-JTQLQIEISA-N 319.340 -0.089 30 20 DBED C#CCN[C@H](CO)CNC(=O)Cc1c(OC)cccc1OC 1755642288 KIKVSNUJIDXQSQ-LBPRGKRZSA-N 306.362 -0.054 30 20 DBED CN(CC#N)C[C@@H](O)CN(C)C(=O)[C@@H]1CCn2cncc2C1 1755802512 WRBJSHIECBPTOP-TZMCWYRMSA-N 305.382 -0.280 30 20 DBED C#CCOCCC(=O)N(C)C1CC(NCc2nnnn2C)C1 1755857046 XYKNVHKWFCAIIH-UHFFFAOYSA-N 306.370 -0.671 30 20 DBED C[C@@H](NC(=O)CC(=O)N(C)C)[C@@H](C)NC(=O)c1c[nH]c(C#N)c1 1755964605 MCLWSDQDIBXSFC-NXEZZACHSA-N 319.365 -0.012 30 20 DBED CC(=O)N1CC(C(=O)NC[C@H](C)N(C)C(=O)C#CC2CC2)C1 1756020515 KQZONKGDYKVSKR-NSHDSACASA-N 305.378 -0.159 30 20 DBED C=CCOCC(=O)N[C@@H](C)C1CN(C(=O)C2(C(N)=O)CC2)C1 1756130584 QVQWSGSRSNJJLA-JTQLQIEISA-N 309.366 -0.582 30 20 DBED C=CCCC(=O)N[C@@H](C)C1CN(C(=O)C[C@H]2CC(=O)NC2=O)C1 1756131067 ZKLSKBRJMAVRBZ-WDEREUQCSA-N 321.377 -0.032 30 20 DBED C#CCCCC(=O)NC[C@H](CO)NC(=O)c1cnn2c1CCC2 1756515344 KAMIHUWQGGFSLZ-GFCCVEGCSA-N 318.377 -0.160 30 20 DBED C=C(C)CCC(=O)N(C)C[C@H](O)CNC(=O)CNC(=O)OC 1756666336 XCEJNXBVRYQCDF-LLVKDONJSA-N 315.370 -0.366 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@H](C)NC(C)=O)C[C@@H]2O)C1 1757208688 AFRJZXRFQPNLPB-UHTWSYAYSA-N 323.393 -0.445 30 20 DBED C=CCC1(C(=O)N2CC[C@@H](NC(=O)CC(N)=O)[C@@H](O)C2)CCC1 1757564685 XWWGZUDTYAQCPC-NEPJUHHUSA-N 323.393 -0.314 30 20 DBED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)COCCO)C2 1781692256 KDZDQRKRQICKST-CZUORRHYSA-N 324.377 -0.858 30 20 DBED C#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN(C)C)C[C@@H]21 1792171823 KTWUPGRKVJMFAY-KKUMJFAQSA-N 321.421 -0.059 30 20 DBED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)O)CCO2 1840029015 QDJCGYQWPLQODD-IUODEOHRSA-N 312.366 -0.600 30 20 DBED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCN(C)C(=O)C2)CC1 180670451 DFFSITJUUVIBAB-CQSZACIVSA-N 321.425 -0.547 30 20 DBED COC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1cccnc1C#N 234565927 LHNJTVBZCUEGQW-WPRPVWTQSA-N 311.319 -0.750 30 20 DBED C/N=C(/NC[C@@H]1CN(C)CCN1C)N1CCO[C@H](COC)C1 261755708 CNSJDZYDRMDCQC-KGLIPLIRSA-N 313.446 -0.845 30 20 DBED C/N=C(/NCCN1C(=O)CNC1=O)N(C)Cc1cccn1C 261955847 ISBRYZWJEQANBE-UHFFFAOYSA-N 306.370 -0.416 30 20 DBED CC/N=C(/NC[C@]1(O)CCSC1)N1CCN(C(C)=O)CC1 262385712 LEXHGGANEPIMGY-CQSZACIVSA-N 314.455 -0.016 30 20 DBED CC1(C)NC(=O)N(CCCC(=O)N2CCN(CC#N)CC2)C1=O 266654836 GATDUECQGLNLOT-UHFFFAOYSA-N 321.381 -0.235 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N(CC)CCOCCO 283791965 MLQMQOCAQMJYJM-UHFFFAOYSA-N 308.400 -0.372 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCCC(C)(C)O)C1=O 288037113 OBJLSCLQFNADPY-LLVKDONJSA-N 311.382 -0.491 30 20 DBED CCOCCCN/C(N)=N/CCCN(C)S(=O)(=O)CC 303888897 LPQGXDMCSOOXPQ-UHFFFAOYSA-N 308.448 -0.011 30 20 DBED COC[C@H](C)N/C(N)=N/C[C@@H]1CCC[C@@H]1NS(C)(=O)=O 305020170 NPIHESJDHHXHTJ-DCAQKATOSA-N 306.432 -0.357 30 20 DBED O=S1(=O)CCCN1CC/C(O)=N/CCN1CCOCC1 328903077 HKDMYSHFBMXCDP-UHFFFAOYSA-N 305.400 -0.299 30 20 DBED CNS(=O)(=O)c1cc(/C(O)=N/[C@@H]2CCCNC2=O)co1 330458744 PUYDTCLTLGILFW-MRVPVSSYSA-N 301.324 -0.229 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)c2cc(C)nn2C)CC1 330480695 PTSXRJOZZFAHLW-UHFFFAOYSA-N 305.382 -0.211 30 20 DBED N#Cc1ccc(OCC(=O)N2CC[C@H](S(N)(=O)=O)C2)cc1 339721199 POYIPDIRYLMWAP-LBPRGKRZSA-N 309.347 -0.174 30 20 DBED COCCN(C)CCCNC(=O)C(=O)Nc1ccc(C#N)cn1 339866364 KLJGDKJDERHSPJ-UHFFFAOYSA-N 319.365 -0.024 30 20 DBED N#CCNC(=O)CNC(=O)CCCNC(=O)[C@H]1CC=CCC1 344146927 FMDPVPMCILNPLD-LBPRGKRZSA-N 306.366 -0.005 30 20 DBED CN(C(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C1CC(O)C1 355795356 MQBWAXBFGMTXFM-UHFFFAOYSA-N 323.374 -0.182 30 20 DBED CC1(C#N)CN(C(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)C1 361219847 HEPQFEHSNKCWON-UHFFFAOYSA-N 321.358 -0.069 30 20 DBED N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC1[C@@H]2CNC[C@@H]12 366302089 GKYPNLNHJXGICC-RKDXNWHRSA-N 308.319 -0.037 30 20 DBED Cn1nnc(CNC(=O)C(=O)Nc2cc(C#N)ccc2Cl)n1 427906504 QLWPEQIZUGUCEQ-UHFFFAOYSA-N 319.712 -0.010 30 20 DBED COC(=O)Cc1nnn(C[C@H](O)COc2ccc(C#N)cc2)n1 432730919 MUPNHEDFAQZPEF-NSHDSACASA-N 317.305 -0.300 30 20 DBED Cc1c(C(=O)N[C@@H](C)CC#N)cnc2c1c(=O)n(C)c(=O)n2C 438830378 NTCFVFHOCMHUBM-QMMMGPOBSA-N 315.333 -0.027 30 20 DBED N#Cc1ccc(N2CCN(C(=O)C(=O)NCC(F)F)CC2)nc1 444016462 AKEQHQZYJNUCNK-UHFFFAOYSA-N 323.303 -0.017 30 20 DBED Cn1nnc(CS(=O)(=O)CC(=O)Nc2ccc(C#N)cc2)n1 565232421 GOAHJQHBPRCKOI-UHFFFAOYSA-N 320.334 -0.365 30 20 DBED N#Cc1ccc(NCCN2CCN(c3ncccn3)CC2)nc1N 566479638 WHZOYSUSBJFJCS-UHFFFAOYSA-N 324.392 0.560 30 20 DBED CC(C)(C)NS(=O)(=O)CCNC(=O)[C@H](N)CCCC#N 570153867 GCYBDXFDDYVICB-SNVBAGLBSA-N 304.416 -0.158 30 20 DBED C=CCCn1cc(C(=O)N2C[C@@H](O)C[C@@H](C(=O)OC)C2)nn1 592924875 DCEBFGHQNPVEEB-MNOVXSKESA-N 308.338 -0.150 30 20 DBED COc1nccc(NC(=O)C(=O)N2CCC[C@H](CC#N)C2)n1 595086126 ZFJDLAFGLISMHY-SNVBAGLBSA-N 303.322 0.576 30 20 DBED CN(C)S(=O)(=O)NCCNC(=O)NCC1(C#N)CCC1 596614803 ZFFWJSDFHALHNO-UHFFFAOYSA-N 303.388 -0.625 30 20 DBED CCN(C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)[C@H](C)C#N 598352766 FOWGQKURVRHNKU-SECBINFHSA-N 318.337 -0.806 30 20 DBED C[C@H]1CCN(C(=O)C(=O)NC2CCN(CC#N)CC2)C[C@H]1CO 598680473 YCJKLOAMORQQBN-STQMWFEESA-N 322.409 -0.433 30 20 DBED CC(C)[C@H](C#N)NC(=O)C(=O)c1cc(S(N)(=O)=O)cn1C 613549508 MXBFZEZWVXOTQK-VIFPVBQESA-N 312.351 -0.480 30 20 DBED C#CCNC(=O)COC(=O)CCOc1ccccc1C(N)=O 750546415 ONXOGRFJEURPRM-UHFFFAOYSA-N 304.302 -0.153 30 20 DBED C=CCS(=O)(=O)CCNC(=O)c1cc([N+](=O)[O-])cnc1N 758636541 BZPIYSTXYMIMTJ-UHFFFAOYSA-N 314.323 -0.097 30 20 DBED C#CCOc1ccccc1NC(=O)C(=O)NCc1nn[nH]n1 773348174 SWPLJZLNWQITOF-UHFFFAOYSA-N 300.278 -0.533 30 20 DBED C#CCCS(=O)(=O)NC(=O)CSc1nnnn1C1CC1 810781551 SMEKNZNTRDYARQ-UHFFFAOYSA-N 315.380 -0.431 30 20 DBED CS(=O)(=O)CCNCCS(=O)(=O)c1ccc(C#N)cn1 818963309 OYSSNMBGHHTWPO-UHFFFAOYSA-N 317.392 -0.639 30 20 DBED C=CCCn1cc(C(=O)N2CCCN(CC(N)=O)CC2)nn1 819240401 AGTNFHKWFZGFKE-UHFFFAOYSA-N 306.370 -0.513 30 20 DBED C#CCNC(=O)C1CCN(C(=O)[C@@](C)(C#N)CC(=O)O)CC1 819700647 ADXJSQYAGHTFCL-OAHLLOKOSA-N 305.334 -0.021 30 20 DBED C=CCS(=O)(=O)CCNC(=O)c1cc(-c2nn[nH]n2)cn1C 823931824 GNEIXQNNZMLTRS-UHFFFAOYSA-N 324.366 -0.464 30 20 DBED C#CCOc1cccc(NC(=O)C(=O)NCC(=O)NOCC)c1 846131522 OVAQQLBFDGIOAL-UHFFFAOYSA-N 319.317 -0.179 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)Nc1cncnc1N(C)C 850725640 YBGVWOLXBYWIGI-UHFFFAOYSA-N 319.365 -0.021 30 20 DBED C#CCN(CC(=O)N[C@@H](CO)CN(C)C)C(=O)OC(C)(C)C 854467590 VXZZJIHKEOMTJT-GFCCVEGCSA-N 313.398 -0.105 30 20 DBED C#CC(=O)N1CCN(CCNS(=O)(=O)c2ccccc2)CC1 912943507 QMUPTSLZEJRNSD-UHFFFAOYSA-N 321.402 -0.258 30 20 DBED CN(C)CC#CCNC(=O)c1ccc(CNS(C)(=O)=O)o1 913519741 MIUCBKWSSAPTKA-UHFFFAOYSA-N 313.379 -0.376 30 20 DBED C[C@@H](C(=O)OCC(=O)N[C@@](C)(C#N)C1CC1)N1C(=O)CCC1=O 919259947 IKMJFWIBDJUZLA-VFZGTOFNSA-N 321.333 -0.124 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)CC(N)=O)C1 936955810 DEKDOIDMHLTUPF-OLZOCXBDSA-N 320.393 -0.981 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)c1 938832631 KXCRGINHOJPMEG-AXFHLTTASA-N 315.333 -0.662 30 20 DBED C[C@H](C#N)C(=O)N1CCCN(C(=O)[C@H]2CC(=O)N(C)C2)CC1 941316744 GHJFAEJOUYWCRI-NEPJUHHUSA-N 306.366 -0.315 30 20 DBED C=CCn1cccc1C(=O)NC[C@@H]1CN(C(=O)C(N)=O)CCO1 944637017 DUERCVCRSSHCGO-LLVKDONJSA-N 320.349 -0.883 30 20 DBED C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)CC[C@@H]1NC(=O)C(N)=O 945250310 CSXGZMLTRJSVQA-SCZZXKLOSA-N 303.322 -0.662 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(CCN2CCNC2=O)CC1 950597366 OIZBBJCETHWISO-KGLIPLIRSA-N 322.409 -0.253 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)c1nnn(C)n1 952580107 YQTCIAZTUUOFHN-AXFHLTTASA-N 317.353 -0.425 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CCC[C@H](C1)N2C(=O)[C@H]1COC(=O)N1 952784495 LVXAOLJUSYUHPI-WISYIIOYSA-N 320.349 -0.154 30 20 DBED C=C(C)CN1C[C@@H](O)[C@@H](CNC(=O)c2cccn3nnnc23)C1 958090974 DHFCYYVBFQJDJW-WCQYABFASA-N 316.365 -0.277 30 20 DBED Cn1nc(C(=O)NC[C@@H]2CN(CC#N)C[C@H]2O)cc1C1CC1 958122113 QBVYMPPXKMJPOK-BXUZGUMPSA-N 303.366 -0.156 30 20 DBED C=CCCN1C[C@H](CNC(=O)c2cccc(=O)n2C)[C@@H](O)C1 958394329 CQGJXFFJDZJWAC-JSGCOSHPSA-N 305.378 -0.016 30 20 DBED C=CCN1C[C@@H](O)[C@H](CNC(=O)c2cnc3cccnn23)C1 958468366 XDSXLYZDXYVPKJ-DGCLKSJQSA-N 301.350 -0.062 30 20 DBED Cn1ncc(CN2C[C@H]3C(NC(=O)c4ccc(C#N)[nH]4)[C@@H]3C2)n1 958589714 FPKDTDMQOFBGBX-VXGBXAGGSA-N 311.349 -0.125 30 20 DBED C#CCCN1C[C@H]2[C@H](NC(=O)CN3CCCS3(=O)=O)[C@H]2C1 960186974 VQKOOTHDEYKEOP-IMRBUKKESA-N 311.407 -0.908 30 20 DBED C#CCN1C[C@H]2C(NC(=O)c3ccc(=O)n(CCOC)c3)[C@@H]2C1 960768234 PMNAQEVLWMHZEO-ZIAGYGMSSA-N 315.373 -0.212 30 20 DBED O=C(C#CC1CC1)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cnon1 960825671 KFOYHRONIHDKEM-QWHCGFSZSA-N 316.317 -0.465 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1[C@@H]2CN(Cc3cnnn3C)C[C@@H]12 961828411 XCCWIAQFTNPKEA-SYQHCUMBSA-N 317.393 -0.047 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CC34CC4)C[C@@H]2O)c1 962134525 PENHEMLOMBHVAC-UHTWSYAYSA-N 314.345 -0.012 30 20 DBED C#CCCN1C[C@@H]2C(NC(=O)c3cc(=O)n4[nH]cnc4n3)[C@H]2C1 962277816 AVURVPCMRXUHMJ-UWVGGRQHSA-N 312.333 -0.899 30 20 DBED C=C(C)CN1C[C@H]2[C@H](NC(=O)CN3CC(=O)N(C)C3=O)[C@H]2C1 962288004 NDYNMYFLTHAVPT-YABSGUDNSA-N 306.366 -0.497 30 20 DBED N#CCNC1CC2(C1)CC(NC(=O)[C@H]1CC[C@@H](C(N)=O)O1)C2 965037439 XLAGGEOYTUUATQ-MRLMMZGASA-N 306.366 -0.440 30 20 DBED C[C@H](C#N)C(=O)N1CCOC2(CN(C(=O)c3cnn(C)c3)C2)C1 965471671 JYOCVRVCBQULSB-LLVKDONJSA-N 317.349 -0.367 30 20 DBED C#CCCN1CC[C@H](C)[C@H](NC(=O)CN2CCNC(=O)C2)C1 967727852 XLZSSQZFEJEPSZ-UONOGXRCSA-N 306.410 -0.732 30 20 DBED Cc1nc(CC(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)cs1 970751968 XGBMJJOUSWDIFU-FXAINCCUSA-N 322.390 -0.158 30 20 DBED CC#CCN1C[C@@H](NC(=O)CN2CCN(C)C(=O)C2)C(C)(C)C1 974749271 HQARRPZJELOLMZ-CQSZACIVSA-N 320.437 -0.390 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCN(C(=O)CC(N)=O)C1 982566893 HPRFWLMGFVTDHC-HUBLWGQQSA-N 323.393 -0.192 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCC[C@H](NC(=O)C(N)=O)C2)nn1 983607724 XPDZZHHWQDWMQL-UWVGGRQHSA-N 320.353 -0.893 30 20 DBED C=CCn1cc(C(=O)N2CC(NC(=O)Cn3ccnc3)C2)nn1 994915532 JNOSKCIAIUDEFT-UHFFFAOYSA-N 315.337 -0.699 30 20 DBED C=CCn1cc(C(=O)N2C[C@H](N[C@@H](C)C(N)=O)C(C)(C)C2)nn1 996388950 LOLPSZOJNYVKIJ-JQWIXIFHSA-N 320.397 -0.222 30 20 DBED C[C@@H](NC(=O)[C@H]1COCCO1)C1CN(C(=O)C#CC2CC2)C1 1005735393 ZBWRTEQUQXXQSP-BXUZGUMPSA-N 306.362 -0.222 30 20 DBED C#CCN1CCC(N(C)C(=O)[C@H]2COCCN2C(C)=O)CC1 1006429837 SMGLGTMTBBDDAR-OAHLLOKOSA-N 307.394 -0.210 30 20 DBED C=CCCN1CCC[C@H](NC(=O)CN2CCN(C)C(=O)C2)C1 1007684777 CENGMFHQVGKXRR-AWEZNQCLSA-N 308.426 -0.083 30 20 DBED CC1(C)CN(C(=O)C#CC2CC2)C[C@@H]1NC(=O)[C@@H]1COC(=O)N1 1008100200 MZIFINWUNIJRCF-RYUDHWBXSA-N 319.361 -0.139 30 20 DBED C=CCN1CCCC[C@@H]1CNC(=O)c1cn(C)c(=O)n(C)c1=O 1024684886 CJGCGRJNAYUSCB-GFCCVEGCSA-N 320.393 -0.146 30 20 DBED C=C(C)CNC1CCC(NC(=O)Cn2cnc(C(N)=O)n2)CC1 1026497156 PQWQCPCRUJQPCJ-UHFFFAOYSA-N 320.397 -0.030 30 20 DBED C#CCNC1CCC(NC(=O)[C@@H]2CN(C(C)=O)CCO2)CC1 1026600442 WSRKIPQWNDTTNI-NRXISQOPSA-N 307.394 -0.116 30 20 DBED COCCN1C[C@@H](C(=O)N2CCC[C@@H](N(C)CC#N)C2)CC1=O 1027431929 ORNOYVVTSUUVFV-UONOGXRCSA-N 322.409 -0.072 30 20 DBED C=C(C)CN1CC[C@@H](CNC(=O)C2CC3(C2)NC(=O)NC3=O)C1 1028865118 XGOCLFUYNIBFDF-FZWSLVFFSA-N 320.393 -0.011 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NC1CN([C@H]2CCC(=O)NC2=O)C1 1030332034 WAKMLXROGPWCCS-AGIUHOORSA-N 321.377 -0.427 30 20 DBED C#CCN1CCC(C(=O)NCC2CN(Cc3cnon3)C2)CC1 1032207509 UVKJAXZIKNWVAE-UHFFFAOYSA-N 317.393 -0.037 30 20 DBED C#CCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(-n2cnnn2)cn1 1032539227 MHWDVFVYJIGNNT-STQMWFEESA-N 309.333 -0.411 30 20 DBED C#CCN1CC[C@@H](N(CC)C(=O)[C@H]2CCN(C)S2(=O)=O)C1 1033986757 YFIQAZKFWPQXDE-CHWSQXEVSA-N 313.423 -0.424 30 20 DBED C=CCN1CCCC[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C1 1034531224 JPHAOQNWHPYFKB-NWDGAFQWSA-N 301.412 -0.165 30 20 DBED C[C@H]1CN(C(=O)CN2CCC(=O)NC2=O)CC[C@@H]1NCC#N 1036263125 LUVIPSQTSSXCQQ-QWRGUYRKSA-N 307.354 -0.722 30 20 DBED CC[C@@H]1CN(C(=O)Cn2nc(C)n(C)c2=O)CC[C@H]1NCC#N 1037963221 PPLKCPHDBJHNGQ-CHWSQXEVSA-N 320.397 -0.370 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@]1(O)CCN(C(=O)c2cnon2)C1 1039580718 YRMUBWFKLUIUSI-ZIAGYGMSSA-N 324.337 -0.910 30 20 DBED C=CCCCC(=O)NC[C@]1(O)CCN(C(=O)c2cnnn2C)C1 1040730644 ZXMMYEPSKHMJEJ-OAHLLOKOSA-N 321.381 -0.135 30 20 DBED C#CCC1(C(=O)N2CC(O)(CNC(=O)[C@H](C)OC)C2)CCC1 1041764511 PGWCZBYFXSWQJL-LBPRGKRZSA-N 308.378 -0.096 30 20 DBED C#CCCCCC(=O)NCC1(O)CN(C(=O)C2=COCCO2)C1 1042658737 QCVRMCNAKKRNME-UHFFFAOYSA-N 322.361 -0.242 30 20 DBED CO[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1NC(=O)c1ccon1 1042773738 CGAIHPNCVUDYNU-VXGBXAGGSA-N 314.305 -0.030 30 20 DBED C[C@@H]1C[C@@H](C(=O)N2CC(O)(CNC(=O)C#CC3CC3)C2)CCO1 1042960691 NBFNUDYQWBZLCF-OCCSQVGLSA-N 320.389 -0.096 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H]2CN(c3nccnc3C#N)C[C@@H]21 1043682196 WHBRMKZSWPSYPX-KGYLQXTDSA-N 312.333 -0.076 30 20 DBED N#Cc1cnccc1N1C[C@H](O)[C@H](NC(=O)c2cccnn2)C1 1044132908 NUHXHBXIPGBYAG-OCCSQVGLSA-N 310.317 -0.277 30 20 DBED C[C@@H]1C[C@H](NCC#N)CCN1C(=O)CCc1nnc(O)nc1O 1044655444 CEMHCHPNRORFQD-NXEZZACHSA-N 320.353 -0.292 30 20 DBED Cc1nc(C(=O)NCC2(O)CN(C(=O)[C@@H](C)C#N)C2)cs1 1045130348 LBCNFRKVZYPLGA-QMMMGPOBSA-N 308.363 -0.086 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)CCc2cn[nH]c2)C1 1045555538 SPCXAHWYHSBFRE-JTQLQIEISA-N 305.338 -0.809 30 20 DBED C#CCCN1CC[C@H](N2CCN(C(=O)c3nc[nH]n3)CC2)C1 1046071784 MRCWEEBMEIGOTI-ZDUSSCGKSA-N 302.382 -0.340 30 20 DBED C=CCCCC(=O)N1CC(O)(CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 1046717653 NBPQQANOOUIMDA-MNOVXSKESA-N 309.366 -0.846 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)C23CCCN(CCC2)C3)C1 1047424647 RYJBJUWJLFZHLT-GJZGRUSLSA-N 305.422 -0.001 30 20 DBED C=CCOCCCC(=O)N(C)[C@H]1CN(C(=O)COC)C[C@@H]1O 1048622355 DLAMWSDXIGOJGA-STQMWFEESA-N 314.382 -0.354 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CN(CCN3C(=O)CNC3=O)C[C@@H]2C1 1048725554 SUDVEQWBPCBEDU-UTUOFQBUSA-N 319.365 -0.912 30 20 DBED C#CCCCC(=O)N(C)[C@H]1CN(C(=O)c2cn(C)nn2)C[C@@H]1O 1048750380 RDQYYEFDDDXIPK-STQMWFEESA-N 319.365 -0.738 30 20 DBED C#CCCN1C[C@H]2CN(C(=O)c3nnc(O)nc3O)C[C@H]2C1 1048918767 DULMOCAHTJAUMM-AOOOYVTPSA-N 303.322 -0.690 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)C23CCN(CC2)C3)C[C@@H]1O 1049394160 ICWDIXQVPDEKKG-AGIUHOORSA-N 320.393 -0.728 30 20 DBED Cc1nc[nH]c1CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)C#N)C1 1049395763 YCYHEAVTGKHSJG-XDTLVQLUSA-N 319.365 -0.550 30 20 DBED C=CCOCC(=O)N[C@H](C)[C@@H]1CCN(C(=O)Cn2nccn2)C1 1050837670 YVOOFPVELDNDPS-CHWSQXEVSA-N 321.381 -0.166 30 20 DBED N#CCN1CCOC[C@H]1CNC(=O)c1cnc2[nH]ncc2c1 1050976301 SKNMLEKHDKOZJV-GFCCVEGCSA-N 300.322 -0.088 30 20 DBED C#CCCN1CCOC[C@H]1CNC(=O)[C@@H]1CCS(=O)(=O)C1 1051011576 KAFFYKCDJBYCGX-CHWSQXEVSA-N 314.407 -0.739 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)[C@H]1CCCCN1C(N)=O 1051202141 ZTWFVGJSVZZBOO-CHWSQXEVSA-N 308.382 -0.630 30 20 DBED COc1ncnc(OC)c1C(=O)NC[C@@H]1COCCN1CC#N 1051268497 KJWCBGALCVKOGI-SNVBAGLBSA-N 321.337 -0.552 30 20 DBED O=C(C#CC1CC1)N1CCO[C@@H](CNCc2nc(O)n[nH]2)C1 1051609499 UVQVOFDZCDSIMV-NSHDSACASA-N 305.338 -0.759 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H]1CN(C(=O)C2CC2)C[C@@H]1C 1051721628 TYZCCWWRZLUZHQ-AAEUAGOBSA-N 305.378 -0.253 30 20 DBED C=CCN1CCN([C@H]2CCN(C(=O)[C@@H]3CN(C)C(=O)N3)C2)CC1 1052060815 NBQVQXMYDMAORU-KBPBESRZSA-N 321.425 -0.586 30 20 DBED C#CCN1CCC[C@H](NC(=O)[C@@H]2CCN(C)S2(=O)=O)CC1 1052785468 HVWBUVKKBKVMJN-STQMWFEESA-N 313.423 -0.376 30 20 DBED C=C(C)CN1CCC[C@H](NC(=O)c2cn(CC(N)=O)nn2)CC1 1052954115 LHRQHKVIGPXKIC-LBPRGKRZSA-N 320.397 -0.076 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)c3cnn4ncccc34)CO2)C1 1053830483 CNLLBCVKYXTPGD-NSHDSACASA-N 312.333 -0.174 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)c3cncnc3O)CO2)C1 1053838632 HXVHKYUWASDHAZ-LLVKDONJSA-N 302.334 -0.221 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CC(N)=O 1054526499 BSMYWXODGGOALD-WISYIIOYSA-N 306.366 -0.093 30 20 DBED C=CCOCC(=O)N1C[C@@H]2CN(C(=O)[C@H](C)CC(N)=O)C[C@@H]2C1 1055250788 MSBRAAGKXROECD-UPJWGTAASA-N 323.393 -0.383 30 20 DBED C=CCCOCC(=O)N1C[C@@H]2CN(C(=O)CC(=O)NC)C[C@@H]2C1 1055300442 PESWABOIQQSZKM-BETUJISGSA-N 323.393 -0.368 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)CC(=O)N(C)C)C[C@@H]2C1 1055344295 ZKRMFPZEOPOVEM-UTUOFQBUSA-N 306.366 -0.459 30 20 DBED C=C(C)C[C@H](C)C(=O)NCCN1CCC(NC(=O)C(N)=O)CC1 1055620673 TVTDJLBWSWXERG-LBPRGKRZSA-N 324.425 -0.229 30 20 DBED Cn1cc(C(=O)NC2[C@H]3CN(c4cnc(C#N)cn4)C[C@H]23)nn1 1056198072 JESQFDMZTBEORL-UWVGGRQHSA-N 310.321 -0.659 30 20 DBED N#Cc1nccnc1N1C[C@@H]2C(NC(=O)Cc3ncc[nH]3)[C@H]2C1 1056277299 SZBHMYPIFOZBJK-UWVGGRQHSA-N 309.333 -0.135 30 20 DBED N#Cc1ccc(N2C[C@H]3[C@H](NC(=O)[C@H]4CNC(=O)N4)[C@H]3C2)nc1 1056392066 IYGBXYWJBBIGJO-XZUYRWCXSA-N 312.333 -0.815 30 20 DBED C=CCO[C@H](C)C(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)C(N)=O 1056449615 NWSMZWHTCCMYFS-IJLUTSLNSA-N 309.366 -0.345 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)[C@@H]1C[C@@H]1OCC 1057193216 BIMICHASFGLRPJ-OLZOCXBDSA-N 314.382 -0.449 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)[C@H](C)n1cncn1 1057516998 HACQSRPKBYSFGD-ZDUSSCGKSA-N 321.381 -0.564 30 20 DBED CN1CCOC[C@@H]1C(=O)N1CC[C@H](Nc2cncc(C#N)n2)C1 1058855065 SIWQSJWINUKYDF-WCQYABFASA-N 316.365 -0.308 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1CCN(C(=O)C[C@H]2CCNC2=O)C1 1058982910 KYPSLNJSMJIHMV-YPMHNXCESA-N 313.361 -0.086 30 20 DBED CN1CC[C@@H](C(=O)N2CC[C@H](N=c3cc[nH]c(C#N)n3)C2)C1=O 1059031398 BGFLOQWHNGLDPA-WDEREUQCSA-N 314.349 -0.739 30 20 DBED N#Cc1nccnc1N[C@H]1C[C@@H](NC(=O)[C@H]2CCNC2=O)C1 1059781826 NDPGDDBPZNWYDV-AEJSXWLSSA-N 300.322 -0.457 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCOC[C@H]1CNC(=O)CCOC 1061169115 WAHRTYBZHYKRTL-QWHCGFSZSA-N 314.382 -0.042 30 20 DBED C=CCCC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H](C)NC(C)=O 1061241091 OLRCXBWBRMDYHM-YPMHNXCESA-N 311.382 -0.179 30 20 DBED C=CCOCC(=O)N1CCOC[C@@H]1CNC(=O)COC(C)C 1061390404 WUIXSOJLMNHNTF-ZDUSSCGKSA-N 314.382 -0.042 30 20 DBED N#Cc1cncc(N2CCC[C@H]2CNC(=O)[C@H]2CCNC2=O)n1 1061423840 VZNMYZCMNYNFEG-RYUDHWBXSA-N 314.349 -0.431 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)CN(C)C1CCC1 1061663925 RYKWAUODKWAHPT-JSGCOSHPSA-N 322.409 -0.026 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)COCC(F)F 1061720767 SDOWAKUUMRUNEZ-ZJUUUORDSA-N 319.308 -0.229 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)C1(CN(C)C)CC1 1061825605 JYKOGZQKMBXPCX-QWHCGFSZSA-N 322.409 -0.169 30 20 DBED C#CCNC(=O)CC(=O)NC1(CNC(=O)c2cocn2)CCC1 1062705026 JUYQIBOQLAVMHX-UHFFFAOYSA-N 318.333 -0.417 30 20 DBED N#Cc1nccnc1N1C[C@H]2C[C@H]1[C@H]2NC(=O)Cn1nccn1 1064300724 HGQQREFVDKTPKR-CDMKHQONSA-N 310.321 -0.667 30 20 DBED Cn1cc(C(=O)N2C[C@@H]3CN(c4ccc(C#N)nn4)C[C@@H]3C2)nn1 1065999371 PWEWJHBCAGLTOP-PHIMTYICSA-N 324.348 -0.315 30 20 DBED N#Cc1cnccc1N1CCOC[C@@H]1CNC(=O)c1nc[nH]n1 1066495173 OHNSZUVJXAJCOT-NSHDSACASA-N 313.321 -0.293 30 20 DBED N#Cc1nccnc1N1C[C@@H](O)[C@H](CNC(=O)c2ccncc2)C1 1067643177 RBIWOUYFVSXPRJ-TZMCWYRMSA-N 324.344 -0.030 30 20 DBED N#Cc1cncc(NCC2CC(NC(=O)[C@H]3CNC(=O)N3)C2)n1 1067883223 KUJNHVKXJLYQIM-NWGYLPEXSA-N 315.337 -0.664 30 20 DBED C=C[C@@](C)(CC)C(=O)NC[C@@H]1CCC2(CN(C(=O)C(N)=O)C2)O1 1068623793 DXZBMSQRWJUXTB-NHYWBVRUSA-N 323.393 -0.050 30 20 DBED C#CCOCCC(=O)N1CC2(C[C@H](NC(=O)COC)CO2)C1 1068656198 IMSHSFDMWKJVTG-LBPRGKRZSA-N 310.350 -0.841 30 20 DBED C#CCCN1CCn2ncc(CNC(=O)[C@H]3COCCO3)c2C1 1069853686 CWRTXIKPJHOSKA-OAHLLOKOSA-N 318.377 -0.246 30 20 DBED C#CCCCC(=O)NCC1(NC(=O)CNC(N)=O)CCOCC1 1069975631 AUMMBGOUGKNCJI-UHFFFAOYSA-N 324.381 -0.760 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1c1cn(C)cn1 1070489230 QRMKTAYBTBNGQX-WCQYABFASA-N 313.365 -0.620 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@H](O)C(C)C)C[C@H]1c1cncn1C 1070643714 HINPKPMDWNMMPA-UMVBOHGHSA-N 304.394 -0.046 30 20 DBED C=CCCN1CCNC(=O)CCN(C(=O)[C@H]2CCC(=O)N2)CC1 1070948148 AMLACUZGLIYIEN-CYBMUJFWSA-N 322.409 -0.508 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)Cc2cc(C)on2)CC1 1070949611 NNJGCUQECBFLMF-UHFFFAOYSA-N 318.377 -0.191 30 20 DBED C[C@H]1CN(C(=O)Cn2nccn2)C[C@]2(CCN(CC#N)C2)O1 1071173551 KAMXEMKWUPKTST-GXTWGEPZSA-N 304.354 -0.507 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CCCN(C(=O)C2(C(N)=O)CC2)C1 1071219009 LROLSHAEKAYZRQ-VXGBXAGGSA-N 323.393 -0.050 30 20 DBED C=CCCC(=O)N[C@H]1CN(C(=O)Cn2cnnc2O)C[C@@H]1C 1071943985 UTLBUVXMDWEKAT-QWRGUYRKSA-N 307.354 -0.087 30 20 DBED CNC(=O)NCC(=O)N[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1C 1072046812 YFNJZYCPTOUSPG-JQWIXIFHSA-N 306.366 -0.708 30 20 DBED C#Cc1ccc(C(=O)N2C[C@H](C)[C@H](NC(=O)CC(N)=O)C2)nc1 1072466879 BNFGZFSUZSXLMY-GXFFZTMASA-N 314.345 -0.485 30 20 DBED C=CCC(C)(C)C(=O)N1CC(N2CCN(C(=O)C(N)=O)CC2)C1 1073596117 FNSNXVFNVAFCMF-UHFFFAOYSA-N 322.409 -0.571 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(C(=O)c2ncn(C)n2)C[C@H]1C 1073819795 JPHPVBLAWOMLAA-NEPJUHHUSA-N 321.381 -0.016 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)[C@@H]2CCCS2(=O)=O)C1 1073896045 JLJBUUAYXFBVIJ-STQMWFEESA-N 314.407 -0.596 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)[C@@H]2COCCN2C(C)=O)C1 1073896144 LUGYIECQAQYRGM-CABCVRRESA-N 323.393 -0.926 30 20 DBED C=C(Cl)CN1CCO[C@H]2CCN(C(=O)CC(N)=O)C[C@@H]21 1074199461 CDTFWXCJGMGOFL-QWRGUYRKSA-N 301.774 -0.084 30 20 DBED C=CCOCC(=O)NCC[C@H](C)NC(=O)c1ccc(C(N)=O)[nH]1 1075919994 KWBPOSDWGXVWSB-JTQLQIEISA-N 322.365 -0.059 30 20 DBED CCNC(=O)CC(=O)N1CC(N(CC)C(=O)C#CC2CC2)C1 1079736970 RHXDHDHFODUNFS-UHFFFAOYSA-N 305.378 -0.015 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)CC(=O)NCC)C[C@H]1O 1081441714 LQRDCXBQKKXONV-CHWSQXEVSA-N 323.393 -0.748 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(C(=O)c2ncc[nH]2)C[C@H]1O 1081471402 MVAOUFFMLPVXQI-VXGBXAGGSA-N 302.334 -0.628 30 20 DBED CC#CCCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2cnon2)C1 1081684157 BVIAJNCXIQBUNX-DGCLKSJQSA-N 320.349 -0.188 30 20 DBED N#Cc1cc(C(=O)N2CCCC[C@H]2CNC(=O)C(N)=O)c[nH]1 1082014702 MCTWMTNLHQIUMX-NSHDSACASA-N 303.322 -0.517 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H]2CN(CCn3cncn3)C[C@@H]21 1083024268 IDIFTZSRPGNQTM-FRRDWIJNSA-N 304.354 -0.651 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1C[C@@H](C)CC(=O)N1 1083084758 DOOCJVGCEKALEC-APIJFGDWSA-N 319.405 -0.164 30 20 DBED COCCn1nccc1C(=O)N1CCO[C@@H]2CN(CC#N)C[C@@H]21 1083115547 NLPDQTGWVBDZEY-UONOGXRCSA-N 319.365 -0.422 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2cnc(C(F)(F)F)nc2)C1 1083552539 JVXCEVSVQCYFQG-BDAKNGLRSA-N 315.255 -0.206 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)c2ccn3nnnc3c2)C1 1083695180 NREZRLPOAHGHKO-NEPJUHHUSA-N 302.338 -0.525 30 20 DBED Cc1cn2nc(C(=O)NC[C@H]3C[C@H](NCC#N)C3)cc2c(=O)[nH]1 1086438989 MMGVCRCITAZBSU-XYPYZODXSA-N 314.349 -0.047 30 20 DBED C=CCN[C@@H]1CCCCCN(C(=O)Cn2cnc(C(N)=O)n2)C1 1088316177 SQLQTJKKUCBWJG-GFCCVEGCSA-N 320.397 -0.076 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CN(c2ncnc3[nH]cnc23)C[C@H]1O 1090412964 HHFXLOVOIORWND-GHMZBOCLSA-N 312.333 -0.568 30 20 DBED C[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1NC(=O)CS(C)(=O)=O 1090662682 KIQYPQHZSSQXRC-MWLCHTKSSA-N 323.378 -0.666 30 20 DBED C=CCCN1CC[C@H](NC(=O)CN2CC(=O)N(C)C2=O)[C@H](O)C1 1090723453 WXZQYQUKAGFQGT-NWDGAFQWSA-N 324.381 -0.992 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2cc(C(N)=O)ccn2)[C@@H](O)C1 1090858734 PMEWDYHGJNLGRG-OCCSQVGLSA-N 316.361 -0.631 30 20 DBED N#Cc1cncc(N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)CC(N)=O)n1 1092954969 JOEKLJQHTXXJDT-MXWKQRLJSA-N 300.322 -0.550 30 20 DBED C#CCN1CC(OC2CCN(C(=O)[C@H]3CCN(C)C3=O)CC2)C1 1093561318 IMSZIJJRDGYHDQ-HNNXBMFYSA-N 319.405 -0.210 30 20 DBED CC(=O)N1CCO[C@@H](C(=O)NCCNc2nccnc2C#N)C1 1093799114 LEMSVKRTYNOYMU-GFCCVEGCSA-N 318.337 -0.876 30 20 DBED N#Cc1nc(=NCCNC(=O)[C@@H]2CCCS(=O)(=O)C2)cc[nH]1 1093867461 WMFQPCQCELYBMJ-SNVBAGLBSA-N 323.378 -0.877 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)c3coc(C)n3)CC2=O)C1 1094732163 YVKWXMVEILMCAH-LLVKDONJSA-N 302.334 -0.369 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)CN3CC[C@@H](C)C3)CC2=O)C1 1094786854 DISJAVPLCAMOHY-KGLIPLIRSA-N 320.437 -0.085 30 20 DBED Cc1n[nH]c(C)c1C(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1 1094798298 VVIVQIIUUYLKAV-NSHDSACASA-N 316.365 -0.435 30 20 DBED C=CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cn1cnc(C(N)=O)n1 1095438733 GBJGCIRZBLBMSF-VWYCJHECSA-N 304.354 -0.716 30 20 DBED Cn1nnc2c(N3CC[C@H](NC(=O)C#CC4CC4)C3)ncnc21 1096365048 QTJAPJATBKSSTA-NSHDSACASA-N 311.349 -0.133 30 20 DBED C[C@H](CCNC(=O)CS(C)(=O)=O)N=c1cc[nH]c(C#N)n1 1098853930 UBHMPLAFQOXLQK-SECBINFHSA-N 311.367 -0.879 30 20 DBED C[C@H](CCNC(=O)[C@@H]1CN(C)CCO1)Nc1ccc(C#N)nn1 1098998443 LOLHAWHEVJJPJK-YPMHNXCESA-N 318.381 -0.014 30 20 DBED CCCCCC(=O)N[C@@H]1CCN(CC(=O)NCC#N)C[C@@H]1O 1099675627 OZLZFHRLXCYXNI-OLZOCXBDSA-N 310.398 -0.242 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(CCn2cccn2)C[C@H]1O 1099738901 UCOGTYPMAHFKJJ-ZIAGYGMSSA-N 308.382 -0.363 30 20 DBED C=C(C)CCC(=O)N[C@@H]1CCN(CC(=O)NCC#N)C[C@@H]1O 1099855017 BDORGWUYOFAKSN-OLZOCXBDSA-N 308.382 -0.466 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)c2ccsn2)[C@@H](O)C1 1099887967 MZDTXLQLGOIESO-JQWIXIFHSA-N 322.390 -0.943 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)CCn2ncn(C)c2=O)[C@@H](O)C1 1099936048 YSAHPMGJGAYAFW-OLZOCXBDSA-N 323.397 -0.901 30 20 DBED CCN(C)CCC(=O)N[C@H]1CCN(CC#CCOC)C[C@@H]1O 1100063703 BOTWKBUUHYEWGO-GJZGRUSLSA-N 311.426 -0.471 30 20 DBED N#CCNC(=O)CNC1CC(CNC(=O)C[C@@H]2CCOC2)C1 1100214542 UZFSFFRWJGYXNA-HIFPTAJRSA-N 308.382 -0.463 30 20 DBED CN(CCNC(=O)COc1cnn(C)c1)c1cnc(C#N)cn1 1100300506 FFCDHJWHADOYBW-UHFFFAOYSA-N 315.337 -0.287 30 20 DBED CCN(CCNC(=O)[C@]1(C)CCNC1=O)c1cncc(C#N)n1 1100716484 ZIJKQQKUGHOCHG-OAHLLOKOSA-N 316.365 -0.183 30 20 DBED C=CCN1C[C@@H]2CN(C(=O)[C@@H](C)NS(C)(=O)=O)C[C@]2(C)C1 1101375148 DNFMCDGEBGBDKZ-BZPMIXESSA-N 315.439 -0.110 30 20 DBED CNC(=O)CN1CC2(C[C@@H](NC(=O)[C@H](C)C#N)c3nccn32)C1 1101618019 YZFGLCIPAOXDTI-GHMZBOCLSA-N 316.365 -0.639 30 20 DBED CN(CCNc1cncc(C#N)n1)C(=O)CCc1cn(C)nn1 1101671567 WHFUNSLIAWOTRW-UHFFFAOYSA-N 314.353 -0.020 30 20 DBED Cc1cc(=NCCN(C)C(=O)CCn2cnnn2)c(C#N)c[nH]1 1101740168 WNMDVNMORDVPBV-UHFFFAOYSA-N 314.353 -0.369 30 20 DBED Cc1cc(C#N)nc(NCCN(C)C(=O)[C@@H]2CN(C)C(=O)N2)n1 1101902821 GEDJWSOLRTZPPX-NSHDSACASA-N 317.353 -0.449 30 20 DBED CNC(=O)NCC(=O)N(C)CCNc1nc(C)cc(C#N)n1 1102017969 BSMFUADGLJVJRJ-UHFFFAOYSA-N 305.342 -0.544 30 20 DBED C=CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)c2nc[nH]n2)C1 1103551618 FJDGSGMBDVOQCC-VXGBXAGGSA-N 320.397 -0.205 30 20 DBED Cc1nc(C(=O)NC[C@H](O)CNc2cnc(C#N)cn2)co1 1105799288 ZNAHCCBDNCWQDJ-SNVBAGLBSA-N 302.294 -0.153 30 20 DBED C[C@]1(C(=O)NC[C@H](O)CN=c2cc[nH]c(C#N)n2)CCCOC1 1105955503 PREQAZVLFSDYSL-ABAIWWIYSA-N 319.365 -0.524 30 20 DBED Cc1nsc(NC[C@H](O)CNC(=O)[C@H]2C[C@H]2C(N)=O)c1C#N 1106119826 RIBAYBOIRVEYBJ-HLTSFMKQSA-N 323.378 -0.666 30 20 DBED CCC(=O)N[C@H](C)C(=O)NC[C@@H](O)CNc1ccc(C#N)nc1 1106140910 RGDUHXMWHLXYJF-MFKMUULPSA-N 319.365 -0.243 30 20 DBED N#Cc1nccnc1NC[C@@H](O)CNC(=O)CCc1cnc[nH]1 1106150059 JUKXHGQEQGXMCN-NSHDSACASA-N 315.337 -0.407 30 20 DBED CS(=O)(=O)CC(=O)NC/C=C\CN=c1cc[nH]cc1C#N 1107105305 MFVXZRBGIDIZPZ-IHWYPQMZSA-N 308.363 -0.496 30 20 DBED N#Cc1nc(=NC/C=C\CNC(=O)CO[C@H]2CCOC2)cc[nH]1 1107357113 FHGLULQNEOEOBM-BIOMNHJASA-N 317.349 -0.340 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)C[C@H]2CCC(=O)NC2)C1 1107993913 GFZTYOLMAFJPLG-CJNGLKHVSA-N 307.394 -0.257 30 20 DBED C=C(C)CCN1CCO[C@@](C)(CNC(=O)[C@H]2CNC(=O)N2)C1 1108166411 AVNCRLKGJZQCQR-DOMZBBRYSA-N 310.398 -0.159 30 20 DBED CC[C@H](C)C(=O)NCC(=O)N[C@@H](C)CN=c1cc[nH]c(C#N)n1 1108398756 JLWOUUYJUZVGFR-QWRGUYRKSA-N 318.381 -0.151 30 20 DBED C=CCN1CCO[C@@](C)(CNC(=O)[C@@H]2CCCS2(=O)=O)C1 1108410489 REFYLBNFVBQZHX-JSGCOSHPSA-N 316.423 -0.043 30 20 DBED CC(=O)NCC(=O)N1CC[C@@H](N=c2cc[nH]c(C#N)n2)C[C@@H]1C 1110499074 GIOMRNTZAIBXNC-CMPLNLGQSA-N 316.365 -0.302 30 20 DBED N#Cc1nccnc1NCCN(CCO)C(=O)c1cnsn1 1111425558 NUDWXXLXMRPHJL-UHFFFAOYSA-N 319.350 -0.254 30 20 DBED Cc1nonc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1111504550 TYRZLGFDAGHTQB-MXWKQRLJSA-N 318.337 -0.647 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCN(Cc2nc(=O)n(C)[nH]2)CC1 1112801379 PTWUHNHHULIYPW-AWEZNQCLSA-N 309.370 -0.920 30 20 DBED C[C@H](NC(=O)C1CS(=O)(=O)C1)[C@H](C)Nc1cncc(C#N)n1 1113182440 FUXRPPWTSAPIQF-IUCAKERBSA-N 323.378 -0.302 30 20 DBED C[C@H](CNC(=O)[C@H]1CN(C)CCO1)N(C)c1ccnc(C#N)n1 1113534354 YDLODOFHLGCTNC-VXGBXAGGSA-N 318.381 -0.380 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)CNC(=O)[C@H](C)CC)CC1 1113641141 CNZZEVPNBXAKEY-CYBMUJFWSA-N 322.409 -0.958 30 20 DBED C[C@H](c1nnnn1C)N1C[C@H]2C(NC(=O)CSCC#N)[C@@H]2C1 1113896508 CMJPNFHRIJEELW-OPRDCNLKSA-N 321.410 -0.426 30 20 DBED N#CCSCC(=O)NC1[C@@H]2CN(CCN3CCCC3=O)C[C@@H]12 1113899737 SONIOXHORKIGOU-VXGBXAGGSA-N 322.434 -0.088 30 20 DBED C[C@@H](OCC1CC1)C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1113992536 JAYAEDJBSKHYAN-PBOSXPJTSA-N 320.393 -0.512 30 20 DBED C[C@@H]1CCN(c2ncccc2C#N)C[C@H]1NC(=O)CNC(N)=O 1113997562 LDSDOQJSRRAXEM-ZYHUDNBSSA-N 316.365 -0.047 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)[C@H](CC)SC)[C@@H]2C1 1114151636 LDLONIXHUIUUMJ-UTUOFQBUSA-N 309.435 -0.076 30 20 DBED C#CCO[C@H](C)C(=O)NC1[C@H]2CN(CC(=O)NCCC)C[C@H]12 1114271609 YDXNAKXYFMYXBB-AGIUHOORSA-N 307.394 -0.403 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)c3cc(F)c[nH]3)[C@H]2C1 1114581251 CBJUNZQQUNYUDH-DLOVCJGASA-N 318.352 -0.048 30 20 DBED C=C(C)CN1C[C@@H]2C(NC(=O)CCn3ncn(C)c3=O)[C@H]2C1 1114615896 FTDUCMKVRBQNNG-RYUDHWBXSA-N 305.382 -0.406 30 20 DBED C=CCCCC(=O)NC1[C@@H]2CN(CC(=O)NC(=O)NC)C[C@@H]12 1114755794 QPPONCUIAWQFFK-GHMZBOCLSA-N 308.382 -0.155 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)Cc3ncc[nH]3)[C@H]2C1 1115021292 YVNPUNSMJFLSLV-UUIJZJDISA-N 317.393 -0.311 30 20 DBED C=C(C)CN1C[C@H]2[C@H](NC(=O)CC[C@@H]3NC(=O)NC3=O)[C@H]2C1 1115217626 YSABYQDVPJFWIG-SRRSOLGSSA-N 306.366 -0.403 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)Cn3ccnc3C)[C@@H]2C1 1115243345 MMLSGGKBNCZCLG-CHWSQXEVSA-N 317.393 -0.460 30 20 DBED C=CCN1C[C@@H]2C(NC(=O)CCNC(=O)c3cnccn3)[C@H]2C1 1115261674 VWPNJSDWYHDAIE-RYUDHWBXSA-N 315.377 -0.171 30 20 DBED N#CCN1CCC(NC(=O)NC[C@@H](CO)[C@@H]2CCOC2)CC1 1116898224 IXGCNXNHWMYYQX-OLZOCXBDSA-N 310.398 -0.081 30 20 DBED C=C[C@@H]1CCCCN1C(=O)C(=O)N(C)CC(=O)N1CCOCC1 1117969913 ZKYVWDCCVTVYOS-CYBMUJFWSA-N 323.393 -0.129 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N1CC[C@@](O)(C2CC2)C1 1118539385 NYUDHUNWUDDXPQ-INIZCTEOSA-N 308.378 -0.142 30 20 DBED C[C@@H](CN(C)C(=O)Cn1nccn1)Nc1cnc(C#N)cn1 1120201031 WRGCHSICTRRESI-JTQLQIEISA-N 300.326 -0.101 30 20 DBED C[C@@H](CN(C)C(=O)[C@@H]1CN(C)C(=O)N1)N=c1cc[nH]cc1C#N 1120409219 PXHYWXXOZFFGQP-GWCFXTLKSA-N 316.365 -0.342 30 20 DBED CCC(=O)NCC(=O)NC[C@@H](CO)N=c1cc(C)[nH]cc1C#N 1121242067 PFRYBOQRVSRPIF-LBPRGKRZSA-N 319.365 -0.901 30 20 DBED CCn1ccnc1C(=O)NC[C@H](CO)N=c1cc[nH]cc1C#N 1121412659 RRRYBUFITXTHAI-GFCCVEGCSA-N 314.349 -0.206 30 20 DBED N#Cc1nc(=N[C@H](CO)CNC(=O)CC[C@@H]2CCOC2)cc[nH]1 1121417542 FAEZUNKGMQAKHZ-NEPJUHHUSA-N 319.365 -0.524 30 20 DBED CC(C)[C@H](C(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1)N(C)C 1121839866 OEPPAULFQHPASB-SMDDNHRTSA-N 320.397 -0.755 30 20 DBED CN(C)CCCCC(=O)NC[C@@H](CO)N=c1cc[nH]cc1C#N 1121846758 AZNBGXYKEQRUKO-AWEZNQCLSA-N 319.409 -0.004 30 20 DBED CCO[C@@H](C(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1)C(C)C 1122045317 RAWRMHPOVQDXDQ-BXUZGUMPSA-N 321.381 -0.280 30 20 DBED C[C@H]1CCN(CC(=O)NC[C@@H](CO)Nc2nccnc2C#N)C1 1122527513 OYSIHFWEZWKWJW-RYUDHWBXSA-N 318.381 -0.421 30 20 DBED CC(=O)N(C)CC(=O)N(C)C[C@H](O)CNc1cnc(C#N)cn1 1124112646 YWIWXWPRACOBJG-GFCCVEGCSA-N 320.353 -0.942 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)c1nccs1 1124470786 DTVNKILMLGWLDS-SECBINFHSA-N 318.362 -0.228 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C[C@@H](O)CNc1nccnc1F 1124520388 SDFNSWGYNYPGQV-MNOVXSKESA-N 310.329 -0.115 30 20 DBED CC(C)[C@@H](F)C(=O)N(C)C[C@@H](O)CN=c1cc[nH]c(C#N)n1 1124648038 AOYOGXCDAULTCQ-GXFFZTMASA-N 309.345 -0.005 30 20 DBED CCS(=O)(=O)NCCNCCNC(=O)c1ccc(C#N)[nH]1 1125813948 NVIOONFZFFPERD-UHFFFAOYSA-N 313.383 -0.855 30 20 DBED COC[C@H](C)C(=O)N[C@H]1CCc2nnc(CNCC#N)n2CC1 1127959302 YRQPJDAKGXMXQD-RYUDHWBXSA-N 320.397 -0.005 30 20 DBED C#CCN1CCn2ncc(CNC(=O)[C@H](CC)NC(C)=O)c2C1 1128498824 IZOHMVWSZJSWIE-AWEZNQCLSA-N 317.393 -0.137 30 20 DBED C#CCN1CCOC[C@@H]1c1n[nH]c(CNC(=O)COC(C)C)n1 1130831394 FTNUJZRJVMEJDR-GFCCVEGCSA-N 321.381 -0.148 30 20 DBED C[C@H](C#N)C(=O)NCc1nc([C@H]2COCCN2CCCO)n[nH]1 1130839798 PKPOKZYDCIQFMF-GHMZBOCLSA-N 322.369 -0.664 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)CCc1nc(C)no1 1132121218 KHTLFBYHXOJZIW-SNVBAGLBSA-N 307.354 -0.846 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1c(O)nnc(C)c1C 1132191707 RWFWPQGEIOYJAT-LLVKDONJSA-N 319.365 -0.744 30 20 DBED C#CCNC(=O)CN1C[C@H](NC(=O)CN2CCCC2)CC[C@H]1C 1132489432 JJSGUPWIRABXKD-HUUCEWRRSA-N 320.437 -0.199 30 20 DBED C#CCNC[C@H]1CN(C(=O)CNS(=O)(=O)CC)CC[C@H]1C 1132864905 FEYFDFFRGMECFZ-OLZOCXBDSA-N 315.439 -0.367 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CCc2cccnc21 1132983587 DBXZBXYNQCPCHB-OCCSQVGLSA-N 314.389 -0.045 30 20 DBED CCn1ncc(C(=O)N[C@H](C)C[C@H](C)NCC(=O)NCC#N)n1 1134265228 KWSAWANQYUHQMQ-WDEREUQCSA-N 321.385 -0.576 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)CN(C)S(=O)(=O)N(C)C)NCC#N 1134351317 FSLMAZCHQSEYBL-WDEREUQCSA-N 319.431 -0.879 30 20 DBED C=CCN1CCCO[C@H](CNC(=O)CN2CCN(C)C(=O)C2)C1 1149936539 HXOBLZURBNPLBZ-CQSZACIVSA-N 324.425 -0.847 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@H](C(C)C)N1CCCC1=O 1153419891 BDUYWJBQCMGSIU-HNNXBMFYSA-N 322.409 -0.911 30 20 DBED C=CCNC(=O)CN(CC)[C@H](C)CNC(=O)[C@@H]1CCC(=O)NC1 1154119679 NAZGZYWSIOFEMR-CHWSQXEVSA-N 324.425 -0.359 30 20 DBED C=CCNC(=O)[C@@H](C)N(C)C[C@H]1CCCCN1C(=O)CC(N)=O 1157737544 CLJXPXIDAUXMSW-CHWSQXEVSA-N 324.425 -0.135 30 20 DBED C#CCOCCC(=O)NCCCNCCCS(=O)(=O)CC 1157846556 UENKLOQXDZNZDF-UHFFFAOYSA-N 318.439 -0.053 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)C[C@@H]1CCN(C)C1=O 1160592243 OHNRNNAXJBERLO-OLZOCXBDSA-N 322.409 -0.911 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)c1cncc(OC)n1 1167703906 PXLLLRPACHHYMF-LLVKDONJSA-N 321.381 -0.115 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)CCn1cc(C)cn1 1176942719 SIYAZIDUPDBRLC-CQSZACIVSA-N 319.409 -0.185 30 20 DBED C=CCO[C@H](C)C(=O)NCCCNC[C@@H](O)COCCOC 1177273104 HQPXGPVKJHDWEN-ZIAGYGMSSA-N 318.414 -0.303 30 20 DBED C#CCNC(=O)CNCCCNC(=O)CCCn1ccnc1 1177351663 MALWROBDYQJKMG-UHFFFAOYSA-N 305.382 -0.491 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)[C@@H](C)NC(C)=O)[C@H]1C 1178070213 VHCKWIJLGLJEJI-MDZLAQPJSA-N 310.398 -0.608 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)C2=COCCO2)C1 1180780268 JBDVBWARKZTQTK-VXGBXAGGSA-N 307.350 -0.797 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)c2cn(C)c(=O)cn2)C1 1184434394 XDPQDTANAWVOTL-GFCCVEGCSA-N 304.350 -0.766 30 20 DBED C[C@@H]1CN(C(=O)Cn2c(O)nnc2O)CC[C@@H]1CNCC#N 1185576245 ZQPRVAXNUOBBQQ-NXEZZACHSA-N 308.342 -0.713 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)CCn2cccn2)C1 1188905496 FVPKOMDPNAXQII-CQSZACIVSA-N 317.393 -0.445 30 20 DBED CCOC1CC(C(=O)N2CC[C@@H](N(C)CC(=O)NCC#N)C2)C1 1189955457 AOPZOOKQMIYXQE-ROKHWSDSSA-N 322.409 -0.026 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C[C@@H](C)C(C)C)C1 1191667362 FPLDEGLESFWQMI-MGPQQGTHSA-N 309.410 -0.421 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CN(Cc2ncnn2CCF)C[C@H]1O 1191854426 MLEUVYRTKLBNHO-HBNTYKKESA-N 310.333 -0.931 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(CC2=CCCCC2)C[C@H]1O 1192391560 LZZQMJTUJWMOSY-HUUCEWRRSA-N 319.405 -0.212 30 20 DBED CCc1occc1C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1O 1192590810 LOYTVWDABOBVDY-VXGBXAGGSA-N 320.349 -0.743 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(C[C@H](O)Cn2cccn2)C[C@H]1O 1192805284 WQTBUHVYVWHJNI-RRFJBIMHSA-N 320.393 -0.935 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)c2ncn(C)n2)CC1 1195709983 IVYFWEPFSJNHIK-UHFFFAOYSA-N 306.370 -0.735 30 20 DBED COCC#CCN1CCCN(C(=O)C[C@@H](C)NC(N)=O)CC1 1195853519 KQRHAKMEBKVBSD-CYBMUJFWSA-N 310.398 -0.383 30 20 DBED COCC#CCN1CCCN(C(=O)[C@@]2(C)CCNC2=O)CC1 1197141173 DTGSHJCPOLBZAY-INIZCTEOSA-N 307.394 -0.303 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)Cc2c(C)n[nH]c2C)C1 1198811779 YCCQIYNJQZTDMQ-COLVAYQJSA-N 304.394 0.000 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)[C@@]2(C)CNC(=O)C2)CCCO1 1201052761 WJPBRGDQNYJWLQ-CZUORRHYSA-N 307.394 -0.257 30 20 DBED C[C@H]1C[C@H](C(=O)N2CCC(NCC(=O)NCC#N)CC2)CO1 1201339284 WXTQIJSCXYPHLY-RYUDHWBXSA-N 308.382 -0.368 30 20 DBED N#CCNC[C@@H]1CN(C(=O)c2cc(C(N)=O)c[nH]2)CCCO1 1201718888 DZRPPWVPPXROPV-LLVKDONJSA-N 305.338 -0.542 30 20 DBED C=CCNC(=O)CN[C@@H]1C[C@H](NC(=O)c2nc[nH]n2)C12CCC2 1203500097 NEUZKAAEKCZWJT-MNOVXSKESA-N 318.381 -0.263 30 20 DBED CCc1cc(C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@H]2C)n[nH]1 1206066013 QGBQXPARUJNZDH-ZWNOBZJWSA-N 318.381 -0.338 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)Cn2cncc2C)[C@H](C)C1 1208005129 VHTQAKBQSCKCLE-TZMCWYRMSA-N 319.409 -0.070 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)Cc2ccn(C)n2)C1 1208010251 HKLMPYKUMBXWLA-AWEZNQCLSA-N 317.393 -0.707 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)C2CCC2)[C@H](OC)C1 1211754896 NMFKKXLNLFKPCF-IACUBPJLSA-N 307.394 -0.260 30 20 DBED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)[C@@H]1CCCCO1 1212122853 SXDMWEGXGWSKAE-FRRDWIJNSA-N 324.381 -0.989 30 20 DBED C=C(Cl)CN1C[C@@H](NC(=O)C2(C(N)=O)CC2)[C@H](OC)C1 1213355234 OCAZEDUEMIOHRL-NXEZZACHSA-N 301.774 -0.180 30 20 DBED C[C@@H]1CN(C(=O)[C@@H]2CCCCN2C)C[C@H]1NCC(=O)NCC#N 1214969361 PGCLILCMGLZKCK-MCIONIFRSA-N 321.425 -0.453 30 20 DBED C=CCCCN1C[C@H](O)[C@H](NC(=O)[C@@H](C)N2C(=O)CCC2=O)C1 1219746161 LUHFGCGROQIBQY-UPJWGTAASA-N 323.393 -0.349 30 20 DBED CCO[C@H](C(=O)N[C@@H]1CN(CC#N)C[C@@H]1O)C1CCOCC1 1220085566 FBDBNAJLESGYSD-RDBSUJKOSA-N 311.382 -0.497 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1CN(CC(=O)N(C)C2CC2)C[C@@H]1O 1220141467 SPWZOPUEIFGRNS-OLZOCXBDSA-N 309.410 -0.019 30 20 DBED C=CCN1CC[C@H](N2C[C@H](O)[C@H](NC(=O)CCCF)C2)C1=O 1220154853 OBABBRXTXURJQT-AGIUHOORSA-N 313.373 -0.316 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)CN2CCC[C@@H]2C)C1 1220351717 GDRHYQUUJPNTDY-ZNMIVQPWSA-N 311.426 -0.165 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)CNC(=O)C2CCCCC2)C1 1220895720 JGFLOXYXOCXRDB-KGLIPLIRSA-N 307.394 -0.523 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)c2cnns2)CC1 1222464245 GVFJABHLSPTPHF-UHFFFAOYSA-N 321.406 -0.271 30 20 DBED C#CCCN[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)NS(C)(=O)=O 1228791393 GVWHMVPOEXWNCO-JHJVBQTASA-N 315.439 -0.036 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC[C@@H]1CN(C)C(=O)c1cnnn1C 1233992482 WWQKMXOMOINHRJ-VXGBXAGGSA-N 320.397 -0.348 30 20 DBED CC[C@@H](CCO)NC(=O)NCCN/C(O)=C1/N=CC=CC1=O 1318663902 YZOXTWOSVSSZGF-AGKQBQDBSA-N 310.354 -0.027 30 20 DBED COC[C@](C)(C#N)NC(=O)c1cc(S(N)(=O)=O)c(C)o1 1319140819 KAYBQMMPIHITCH-NSHDSACASA-N 301.324 -0.106 30 20 DBED CC(=O)N1CCN(C(=O)C(=O)Nc2ccn(CCC#N)n2)CC1 1319194807 LQSIYDXTGQTMPN-UHFFFAOYSA-N 318.337 -0.574 30 20 DBED C#CCn1cc(CNC(=O)c2cn(CC(=O)N(C)C)nn2)cn1 1320981403 KROUAWIAFWAGAN-UHFFFAOYSA-N 315.337 -0.874 30 20 DBED CCC(=O)N1CC[C@H](NC(=O)C(=O)N2CCC(C#N)CC2)C1 1323576073 CYYZPNZBLMZEQH-LBPRGKRZSA-N 306.366 -0.124 30 20 DBED C[C@@H]1C[C@@H](NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)CO1 1326749943 OSAQRNYVUYKCQU-QNHQHOPMSA-N 308.338 -0.011 30 20 DBED Cn1nc2c(c1NC(=O)C(=O)N1CC[C@@](O)(CC#N)C1)CCC2 1328219029 BBWFCSIKYNSVSI-HNNXBMFYSA-N 317.349 -0.276 30 20 DBED C[C@H](CNC(=O)C(=O)N1CCC[C@@](C)(C#N)C1)S(C)(=O)=O 1329218318 GIHQTQQKRRNGSF-MFKMUULPSA-N 315.395 -0.312 30 20 DBED C[C@@H]1C[C@@H](NC(=O)C(=O)NCCNc2ccc(C#N)cn2)CO1 1329401169 SXQRNGBEQDAUMM-ZYHUDNBSSA-N 317.349 -0.225 30 20 DBED C#CCNC(=O)CCNC1CCN(CCS(C)(=O)=O)CC1 1331957715 GSAZQZCKLYBGKD-UHFFFAOYSA-N 315.439 -0.776 30 20 DBED C=CCN(C(=O)C(=O)N1CCO[C@H]([C@@H](C)N)C1)[C@@H](C)COC 1333652996 CKNMAIYSVJDBKS-XQQFMLRXSA-N 313.398 -0.390 30 20 DBED CN1CC[C@@H](NC(=O)C(=O)NCc2cc(C#N)ccc2F)C1=O 1335656419 KMHGJMMAXBKHMA-GFCCVEGCSA-N 318.308 -0.340 30 20 DBED C=C(Br)CNC(=O)C(=O)NCC(=O)N(CC)CC 1336660991 NBSDVQDUOLHLBM-UHFFFAOYSA-N 320.187 -0.004 30 20 DBED C=CCN(C)C(=O)C(=O)Nc1ccn(CCN2CCNC2=O)n1 1337930107 YEXHVXVHECMCQG-UHFFFAOYSA-N 320.353 -0.509 30 20 DBED C=CCn1c(CCO)nnc1N1CCC(NC(=O)NC)CC1 1339219014 CSOQJQAWYILPQX-UHFFFAOYSA-N 308.386 -0.103 30 20 DBED C=C(C)CN1CCC(NC(=O)C(=O)NCCC(=O)N(C)C)CC1 1340670766 AQQRCQTXWHRNPR-UHFFFAOYSA-N 324.425 -0.262 30 20 DBED C=CCN(C)C(=O)C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 1341033421 WPCYEILXDOPQRY-SNVBAGLBSA-N 303.384 -0.829 30 20 DBED CC#CCCNC(=O)C(=O)NC1CCN(CC(=O)N(C)C)CC1 1341968584 HYYQNHMVGIEDKA-UHFFFAOYSA-N 322.409 -0.815 30 20 DBED COC(=O)N1CC(NC(=O)C(=O)NCc2cccc(C#N)c2)C1 1345005451 JTCYRAQSOCDELE-UHFFFAOYSA-N 316.317 -0.259 30 20 DBED CN(C)CCN(CCN(C)C)C(=O)C(=O)N1CCC[C@H](C#N)C1 1345488790 VQADSKYRMATKNZ-CQSZACIVSA-N 323.441 -0.300 30 20 DBED CN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccn(CCC#N)n1 1351594132 AMAKMABBPCCJRF-LLVKDONJSA-N 304.354 -0.054 30 20 DBED CO[C@@H](C)CN(C)C(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1351845666 BJAPDCGCVPLVHT-AAEUAGOBSA-N 308.382 -0.322 30 20 DBED C[C@]1(CNC(=O)CCn2cc(C#N)c(O)nc2=O)CCOC1 1362158267 GVEJJFFZSKAPEV-CQSZACIVSA-N 306.322 -0.247 30 20 DBED Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H](CO)C(N)=O 1363178450 RHRUJQCPCRUKDX-LBPRGKRZSA-N 307.354 -0.691 30 20 DBED C=C(Cl)CN1CC(O)(CNC(=O)[C@H](CC)NC(C)=O)C1 1407438946 QOEZJFJUOWGRRP-NSHDSACASA-N 303.790 -0.184 30 20 DBED C[C@H](C#N)C(=O)N1CCN(CCNC(=O)C[C@H]2CCOC2)CC1 1407449806 SHYSCMXNHDEQJK-ZIAGYGMSSA-N 322.409 -0.167 30 20 DBED CO[C@@H]1[C@H](C)[C@H](NC(=O)Cn2cc(C#N)c(O)nc2=O)C1(C)C 1412750618 OBRWPDXFRSDIDA-JFUSQASVSA-N 320.349 -0.004 30 20 DBED Cc1cc(COCC(=O)NC2CN(C(=O)[C@H](C)C#N)C2)no1 1416009700 RRUWETHDWDDGIG-SECBINFHSA-N 306.322 -0.014 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)COCc2ccnn2C)C1 1428235958 RWDRXYYFRJDIFM-SRVKXCTJSA-N 319.365 -0.140 30 20 DBED CCS(=O)(=O)NCC(=O)NC[C@@H](C)N(C)C(=O)[C@H](C)C#N 1442774862 AUNBWJTVPYRVIO-NXEZZACHSA-N 318.399 -0.952 30 20 DBED N#Cc1cn(CC(=O)N[C@H]2CCC3(C2)OCCO3)c(=O)nc1O 1466455395 TUXIFSQBYVAOKW-JTQLQIEISA-N 320.305 -0.768 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)Cn2ccccc2=O)C1 1494048517 VFDUSDVUTOZXFI-SRVKXCTJSA-N 302.334 -0.229 30 20 DBED C=CCNC(=O)NC(=O)CN1CC(CNC(=O)[C@H]2C[C@@H]2C)C1 1494518885 HEJOQCWNQQGTFO-JQWIXIFHSA-N 308.382 -0.298 30 20 DBED C[C@H](C#N)C(=O)N(C)CCNC(=O)CNC(=O)c1ccncc1 1496127072 VGVVWKVAADVCKY-LLVKDONJSA-N 317.349 -0.454 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H]1CNC(=O)CN1CCOCC1=O 1497101257 DFWHTTPJHNKANY-VXGBXAGGSA-N 322.365 -0.888 30 20 DBED CCN1CCO[C@@H](C(=O)NCCN(CC)C(=O)[C@@H](C)C#N)C1 1528882172 KHXAGTBDZYTREO-QWHCGFSZSA-N 310.398 -0.169 30 20 DBED C#CCNC(=O)CN[C@H]1CC[C@H](NC(=O)CNC(=O)O)CC1 1573311651 VXSDGUZSJAQPCS-XYPYZODXSA-N 310.354 -0.980 30 20 DBED C[C@@H](Nc1cnc(C#N)c(-c2nn[nH]n2)n1)c1nnc(O)n1C 1575444383 LFTSYFJUAZBJQS-RXMQYKEDSA-N 313.285 -0.464 30 20 DBED N#CCN1CC=C(CNC(=O)CCOCc2cnn[nH]2)CC1 1577706888 YBCXNPFUQSILBA-UHFFFAOYSA-N 304.354 -0.017 30 20 DBED COC(=O)[C@H]1CCN(c2cnc(C#N)c(-c3nn[nH]n3)n2)C1 1579443228 OXTJVLHMDAKPSJ-ZETCQYMHSA-N 300.282 -0.472 30 20 DBED CC(=O)NCCN(C(=O)[C@@H](C)n1cnc(C#N)n1)[C@@H](C)C(=O)O 1588501788 KFJFEVNAHRIGMY-BDAKNGLRSA-N 322.325 -0.851 30 20 DBED C=CCO[C@H]1CCN(C(=O)[C@H](C)n2cnc(-c3nn[nH]n3)n2)C1 1588664956 AHGQFLVQFIRGRE-UWVGGRQHSA-N 318.341 -0.177 30 20 DBED C[C@](O)(CNS(=O)(=O)Cc1ccc(C#N)cc1F)C(=O)O 1589148499 ULETXDLKRKZLDT-LBPRGKRZSA-N 316.310 -0.048 30 20 DBED N#C[C@H]1CNC[C@@H]1NC(=O)c1ccc(-c2nn[nH]n2)cc1F 1592671506 ICZBAPGJXRIELG-KWQFWETISA-N 301.285 -0.153 30 20 DBED N#C[C@@H]1CNCC12CC(C(=O)N1CCCNC[C@H]1C(=O)O)C2 1601063740 YLBBMHKZWINUCZ-OOLXCHQQSA-N 306.366 -0.599 30 20 DBED C=CCOCC(=O)N1C[C@@H]2CN(C(=O)[C@H]3C[C@@H]3C(=O)O)C[C@@H]2C1 1602906739 MERMAQUGRHVSOJ-RNJOBUHISA-N 322.361 -0.174 30 20 DBED C[C@H]1CCN(c2cnc(-c3nn[nH]n3)c(C#N)n2)C[C@@H]1CO 1603910693 WDFLPGZMRAGOQG-DTWKUNHWSA-N 300.326 -0.017 30 20 DBED CN(C)C(=O)CSc1nc(N)c(C#N)cc1-c1nn[nH]n1 1604668268 JULOZEMLJHVJCH-UHFFFAOYSA-N 304.339 -0.104 30 20 DBED N#Cc1c(-c2nn[nH]n2)nc(N)n1CCCN1CCOCC1 1606355874 UQWCXMIYUTXNQW-UHFFFAOYSA-N 303.330 -0.761 30 20 DBED Oc1ncc2c(c1-c1nn[nH]n1)CCCC2=NNC1=NCCN1 1607088892 UNTXRQSANCNQQB-UHFFFAOYSA-N 313.325 -0.444 30 20 DBED COC(=O)N1CCCN(S(=O)(=O)N(C)CCC#N)CC1 1647077614 QREPTIUTONZDHJ-UHFFFAOYSA-N 304.372 -0.149 30 20 DBED C#CCO[C@@H](C)C(=O)NCCCN1CCN(C[C@H](C)O)CC1 1752344112 WLEUISIXSZRVHV-GJZGRUSLSA-N 311.426 -0.471 30 20 DBED C=C(C)CN1CCN(CCNC(=O)C[C@@H]2CC(=O)NC2=O)CC1 1752381497 CRAAWOHNTVRWQR-CYBMUJFWSA-N 322.409 -0.651 30 20 DBED C#CCN1CC[C@@H](CNC(=O)[C@H](C)NS(=O)(=O)CC)C1 1753128946 KXXACJJVVMWXTN-RYUDHWBXSA-N 301.412 -0.615 30 20 DBED C#CCNC(=O)[C@H](C)NCCN(C)C(=O)[C@H](C)Cc1cnc[nH]1 1753239987 FSHVREZISWQFIN-OLZOCXBDSA-N 319.409 -0.226 30 20 DBED C=CCNC(=O)CN[C@H](CNC(=O)C(N)=O)c1ccccc1 1753301547 KPJMAJFCXBTYPM-GFCCVEGCSA-N 304.350 -0.779 30 20 DBED CC[C@@H]1CN(C(=O)CCOC)CC[C@@H]1NCC(=O)NCC#N 1754476340 JGIZXKRJYDCSPR-OLZOCXBDSA-N 310.398 -0.121 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CNC(=O)C[C@@](C)(O)C1CC1 1754480429 HBSMOSXOSQLQLF-CZUORRHYSA-N 307.394 -0.523 30 20 DBED Cc1ncc(CC(=O)N[C@@]2(C)CCN(CC(=O)NCC#N)C2)o1 1754675653 SHTSUVQGRFGPLN-HNNXBMFYSA-N 319.365 -0.254 30 20 DBED C[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@@H]1CNCC(=O)NC(N)=O 1754814502 BMTGAQNITIIIIQ-NEPJUHHUSA-N 322.409 -0.085 30 20 DBED C=CCNCCN(CCO)C(=O)c1ccc2c(c1)C(=O)NC2=O 1754896521 KQTLGVPKMYCINY-UHFFFAOYSA-N 317.345 -0.220 30 20 DBED CC#CCN1CCC(CO)(NC(=O)[C@H](CC)NC(C)=O)CC1 1755181673 WVJGYDDREXOEBC-AWEZNQCLSA-N 309.410 -0.133 30 20 DBED C[C@]1(C(=O)NC2CC(CNCC(=O)NCC#N)C2)CCCOC1 1755219158 GLGIZNFCVYEIEP-ZUEPYMLJSA-N 322.409 -0.073 30 20 DBED Cn1nncc1CN1C[C@H]2C(CNC(=O)CSCC#N)[C@@H]2C1 1755418046 NHUSKZRIHDDTAL-STQMWFEESA-N 320.422 -0.134 30 20 DBED C[C@H]1[C@H](NC(=O)c2ccnnc2)CCCN1CC(=O)NCC#N 1755722869 PKQLQFCBVIAFBD-WCQYABFASA-N 316.365 -0.301 30 20 DBED C#CCNC(=O)[C@H](C)NC1CC(N(C)C(=O)CCOCC#C)C1 1755856569 DLRREKZBMMDDOB-NFOMZHRRSA-N 319.405 -0.257 30 20 DBED C=CCCC(=O)N(C)C[C@H](O)CNC(=O)c1cc2n(n1)CCO2 1756656273 RPKDXZCDXFYALP-LLVKDONJSA-N 322.365 -0.209 30 20 DBED C=C1CC(C)(C(=O)N(C)C[C@H](O)CNC(=O)C2(C(N)=O)CC2)C1 1756678830 SDADHWKOUCFWDI-LLVKDONJSA-N 323.393 -0.456 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N1CCC(S(C)(=O)=O)CC1 1771689207 JJJPFFKCSBQYSB-SNVBAGLBSA-N 323.440 -0.168 30 20 DBED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@]3(C)CCCN3)C[C@@H]21 1790792968 HSAVOBGYRBPWFL-AYMQEEERSA-N 319.405 -0.259 30 20 DBED CN1CCC[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC#N)C2 1793638437 NAVIOJAYYBJVPK-XFMPKHEZSA-N 320.393 -0.416 30 20 DBED C=CCC(=O)N1CC2(CCCN2C(=O)CN2C(=O)CNC2=O)C1 1841848806 JZTJPFUZUSZNLL-UHFFFAOYSA-N 320.349 -0.682 30 20 DBED CC[C@@H](C)[C@H](O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C#CC(=O)O 1847842542 MSZVNPGKTSQQRN-YXMPFFBPSA-N 322.361 -0.317 30 20 DBED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCO[C@H](C#N)C2)CC1 91558109 ZFWWDKNBNDHPOK-CABCVRRESA-N 319.409 -0.097 30 20 DBED C#CCN1CCN(C(=O)c2cccc(OCC(N)=O)c2)CC1 128280224 BJMBQTJBYPTBCP-UHFFFAOYSA-N 301.346 -0.058 30 20 DBED C#CC[C@@H](NS(=O)(=O)c1ccc(C)c(C(N)=O)c1)C(=O)O 159568777 LBCVFSHBFJKILV-LLVKDONJSA-N 310.331 -0.151 30 20 DBED C=C(C)CCOC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 174798335 GREOWBXGTHZQRB-UHFFFAOYSA-N 306.322 -0.057 30 20 DBED C/N=C(/NC[C@H](O)C(F)(F)F)N[C@H]1CCc2ncnn2C1 262765932 GARRXKDQXFIBNW-YUMQZZPRSA-N 306.292 -0.319 30 20 DBED C=CCNC(=O)CNS(=O)(=O)N1CCC[C@H]1C(=O)OCC 272022265 IAHLKXYBQIDLAT-JTQLQIEISA-N 319.383 -0.850 30 20 DBED C[C@H]1C(=O)NCCN1C(=O)C(=O)N1CCc2ccc(C#N)cc21 275798754 CXJLOLGJUBVINC-JTQLQIEISA-N 312.329 -0.206 30 20 DBED N#Cc1cc(Cl)ccc1S(=O)(=O)N1C[C@H](O)[C@H](O)C1 277593793 WACKIQPZJVXALP-AOOOYVTPSA-N 302.739 -0.062 30 20 DBED N#Cc1ncn(CCNC(=O)N2CCN(CC3CC3)CC2)n1 287879274 NYQZMDVDHHDULX-UHFFFAOYSA-N 303.370 -0.113 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(CC)C[C@@H]2CCCO2)C1=O 299521035 OQPBNWSDXPOJSX-NSHDSACASA-N 323.349 -0.009 30 20 DBED CC[C@H](N/C(O)=N/C[C@@]1(O)CCOC1)C(=O)N1CCOCC1 328831528 KYSPBAODALTCAL-FZMZJTMJSA-N 315.370 -0.721 30 20 DBED CN1CCN(C)[C@H](C/N=C(/O)CNc2ccc(C#N)cn2)C1 328995868 WJOAKVOFUMGVOU-CYBMUJFWSA-N 302.382 0.567 30 20 DBED C[C@@H](C/N=C(/O)CN1CCN(C)C(=O)C1)CN1CCOCC1 329634990 XLUVNCCHMSIWJG-ZDUSSCGKSA-N 312.414 -0.315 30 20 DBED CN1CCO[C@H](C/N=C(/O)N[C@H]2CCCS(=O)(=O)C2)C1 329794046 VVNBCECDEOYJGU-WDEREUQCSA-N 305.400 -0.602 30 20 DBED CN1C[C@H](/N=C(/O)N2CC(=O)N(CC(F)(F)F)C2)CC1=O 330132028 LGLPNZBTYHIPKS-SSDOTTSWSA-N 308.260 -0.205 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCCN2C(C)=O)CC1 330605756 JZURTHRMNJXULI-CQSZACIVSA-N 322.409 -0.556 30 20 DBED CC(C)(C)N1C[C@H](N/C(O)=N/CCNS(C)(=O)=O)CC1=O 331204794 XGHQNWUTPGTLJL-SECBINFHSA-N 320.415 -0.561 30 20 DBED CNS(=O)(=O)c1csc(C(=O)N2CC(O)(CC#N)C2)c1 331627271 YSVQHAQCMWFBNX-UHFFFAOYSA-N 315.376 -0.243 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@H](C(N)=O)C(C)C 337056054 CDVCCXOTJFYYBL-JTQLQIEISA-N 306.388 -0.807 30 20 DBED CC(C)(C)OC(=O)CNS(=O)(=O)N1CCO[C@@H](C#N)C1 337084504 CQERSTGNCYUQHW-VIFPVBQESA-N 305.356 -0.613 30 20 DBED C=CC[C@@H](CO)CNC(=O)NCc1cn(CC(=O)OC)nn1 341842525 KASGADOWNONISP-SNVBAGLBSA-N 311.342 -0.565 30 20 DBED Cc1ccc(S(=O)(=O)CCC(=O)NCC(=O)NCC#N)cc1 343551918 VPCBZDFXJYQQGV-UHFFFAOYSA-N 323.374 -0.085 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C)c2ccon2)C1=O 347649769 JHRULFSXBJZCFG-QMMMGPOBSA-N 306.278 -0.171 30 20 DBED CCOC(=O)CCCNC(=O)Cn1c(N)nc(C#N)c1C#N 356203051 TUDZZTAMEPRYEX-UHFFFAOYSA-N 304.310 -0.332 30 20 DBED N#CC1(CS(=O)(=O)NCCOCC(N)=O)CCCCC1 356498216 PIUQNJFAOGSAAH-UHFFFAOYSA-N 303.384 -0.118 30 20 DBED C=CCNC(=O)NC(=O)CN1CCN([C@H]2CCCN(C)C2)CC1 363218533 JMCCHZLAHMNXAX-AWEZNQCLSA-N 323.441 -0.290 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCC[C@H](C(N)=O)C1 407954332 NSJFBDBITWIDAM-MNOVXSKESA-N 302.400 -0.090 30 20 DBED C[C@H](O)CN1CCN(S(=O)(=O)N(C)C[C@H](C)C#N)[C@@H](C)C1 407955080 HFCRQIDBKDBWJB-AGIUHOORSA-N 318.443 -0.290 30 20 DBED N#Cc1ncn(CC(=O)NCC(=O)NCCc2ccccc2)n1 426408380 ACRMCSCUSKJKPS-UHFFFAOYSA-N 312.333 -0.375 30 20 DBED C=CCCO[C@@H](C)C(=O)N1C[C@@H](O)[C@H](N(C)CC(=O)O)C1 435689788 DDTWTANPJZBNGX-QJPTWQEYSA-N 300.355 -0.444 30 20 DBED C#CCNC(=O)C1CCN(C(=O)NCCN2CCCC2=O)CC1 491730514 PEQAUPCZWXCSRL-UHFFFAOYSA-N 320.393 -0.220 30 20 DBED COC(=O)N1CCN(S(=O)(=O)N(C)C[C@H](C)C#N)CC1 495709964 DEANLKTUQJGXFF-SNVBAGLBSA-N 304.372 -0.293 30 20 DBED N#Cc1cccc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1 514614975 NDILSCAGONWYMW-YPMHNXCESA-N 320.374 -0.509 30 20 DBED COC(=O)[C@@H](O)CNS(=O)(=O)c1ccc(C#N)cc1F 537602514 JCPYWIIXFSMPHQ-VIFPVBQESA-N 302.283 -0.490 30 20 DBED C=CCNC(=O)NC(=O)CN1CCC[C@@H](N2CCOCC2)C1 566425540 DWFOWGRIUAVXIE-CYBMUJFWSA-N 310.398 -0.205 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@H](CC(=O)O)OC 567170938 QFGSREZAONHBIS-ZJUUUORDSA-N 307.372 -0.208 30 20 DBED N#Cc1cc(F)ccc1CS(=O)(=O)N[C@H](CCO)C(=O)O 570636524 SLZHBPOPJGFCFI-LLVKDONJSA-N 316.310 -0.048 30 20 DBED N#CCc1cccc(NC(=O)C(=O)NC[C@@H]2COCCN2)c1 599898389 TXOARUZNDLYSFG-CYBMUJFWSA-N 302.334 -0.204 30 20 DBED C=C[C@@H](O)C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 613332393 VEVBNWZGYHZMRA-NWDGAFQWSA-N 318.395 -0.814 30 20 DBED C=CCCS(=O)(=O)NC[C@H]1CCC[C@@]12NC(=O)NC2=O 675756582 XVIKJJDNLBXZBI-BXKDBHETSA-N 301.368 -0.140 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](CCO)C2CC2)C1=O 757075607 KUUKMTRRBHQVCO-SNVBAGLBSA-N 309.322 -0.760 30 20 DBED CCOC(=O)CON=C(C(=O)N1CC[C@@H](OC)C1)c1cc[nH]n1 772347767 XORAWVDOMVCTSL-SNVBAGLBSA-N 324.337 -0.059 30 20 DBED CN1CC[C@@H](C(=O)NS(=O)(=O)CC(C)(C)C#N)CC1=O 776143889 UVIILKFPDHEUSE-SECBINFHSA-N 301.368 -0.149 30 20 DBED C#CCOCCC(=O)NS(=O)(=O)[C@@H](C)[C@@H](C)C(=O)OC 788039397 GZCJRQSJUAXAHJ-ZJUUUORDSA-N 305.352 -0.330 30 20 DBED C#C[C@H](NC(=O)N1CCC[C@H](S(N)(=O)=O)C1)[C@@H]1CCCO1 799974668 DMYFNXYXMUIHFV-SRVKXCTJSA-N 315.395 -0.370 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCC[C@H](CCC(=O)O)C1 817110740 MKGWMZJFXOJDFY-GFCCVEGCSA-N 310.350 -0.144 30 20 DBED N#C[C@@H]1COCCN1C(=O)COc1cccc(-c2nn[nH]n2)c1 822805955 HEQBPHCSRBRXRP-LLVKDONJSA-N 314.305 -0.004 30 20 DBED CCOC(=O)[C@H]1CCCN(C(=O)CN(CC#N)CC(=O)O)C1 829833279 ZLZIHIBVYJCZLM-NSHDSACASA-N 311.338 -0.302 30 20 DBED N#C[C@H]1CNC[C@@H]1NC(=O)Cn1nc(-c2ccccc2)oc1=O 834499739 MESIRWKVHUNXKZ-RYUDHWBXSA-N 313.317 -0.269 30 20 DBED C#CCN1CCN(C(=O)CCN2C(=O)CCNC2=S)CC1 847488968 ICGCRCWDMQWDIV-UHFFFAOYSA-N 308.407 -0.739 30 20 DBED C/N=C(/NCCN1CCOCC1)NC[C@]1(O)CCO[C@H]1C 849023758 CYPSHNNQEZJPGO-GXTWGEPZSA-N 300.403 -0.977 30 20 DBED C#CCNS(=O)(=O)N1CCN(c2nc(C)nc(C)c2C)CC1 872634050 UELCBWXNHZOMNB-UHFFFAOYSA-N 323.422 -0.009 30 20 DBED N#CCCN1CCN(C(=O)C(=O)NC[C@@H]2CCCCN2)CC1 884681639 BCFVFDJGJNAXJJ-ZDUSSCGKSA-N 307.398 -0.697 30 20 DBED C=CCN1CCC(NC(=O)C2CN(S(C)(=O)=O)C2)CC1 900597929 CINIBQHILUUAPF-UHFFFAOYSA-N 301.412 -0.356 30 20 DBED C#CCN(C)CCCNC(=O)N1CC[C@H](CS(N)(=O)=O)C1 922630069 OARPYOOOTUJBNI-LBPRGKRZSA-N 316.427 -0.739 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C(N)=O)c[nH]1 937563576 PTVWMSBCIYFWEZ-MIMYLULJSA-N 315.333 -0.301 30 20 DBED C=CCN1CCN(C(=O)CN2CCCCS2(=O)=O)CC1 949314530 KIRCVRAGQUYNQB-UHFFFAOYSA-N 301.412 -0.258 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]1CNC(=O)c1coc(C(N)=O)c1 951173897 XGYAPHLBDDOBRA-SCZZXKLOSA-N 304.306 -0.131 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@H]2CNC(=O)[C@H]2CCNC2=O)[nH]1 951460284 ULJBGAAQJKJKBO-QWRGUYRKSA-N 315.333 -0.647 30 20 DBED N#Cc1cc(C(=O)N2CC[C@H]2CNC(=O)[C@H]2C[C@H]2C(N)=O)c[nH]1 952162265 VEBCMAVWRAREFT-TUAOUCFPSA-N 315.333 -0.662 30 20 DBED CN(C(=O)[C@H]1CCC(=O)N1)C1CN(C(=O)c2ccc(C#N)[nH]2)C1 953891405 BCQDEUJAYCNWEX-LLVKDONJSA-N 315.333 -0.552 30 20 DBED C[C@@H]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)CC(N)=O 955604248 LHCLXAAWEJCXLH-MWLCHTKSSA-N 317.349 -0.129 30 20 DBED C=CCN1C[C@@H](O)[C@H](CNC(=O)c2cn(C)c(C)cc2=O)C1 958153095 RWZKYBLOVMVEQT-IUODEOHRSA-N 305.378 -0.098 30 20 DBED N#CCN1C[C@H]2[C@H](NC(=O)[C@@H]3CC(=O)N(c4cn[nH]c4)C3)[C@H]2C1 959877216 ROWBPYJLHPTPFS-WUWHUORYSA-N 314.349 -0.667 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1ccnn1C 960119460 QBPOHHYQWALHJV-WCFLWFBJSA-N 317.349 -0.368 30 20 DBED C#CCCN1C[C@H]2C(NC(=O)C[C@@H]3CCS(=O)(=O)C3)[C@@H]2C1 960894786 UTSNHUNUVHGIJG-YNEHKIRRSA-N 310.419 -0.119 30 20 DBED COCC(=O)N1CCOC[C@H]1CNC(=O)c1cc(C#N)c[nH]1 964147304 WOPPDPRYQTXKSH-LLVKDONJSA-N 306.322 -0.510 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CCCN(C(=O)CC(N)=O)CC2)c1 964816669 WNTAWHKWBHLRNU-LLVKDONJSA-N 317.349 -0.127 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)c2cc(Cl)no2)C1 970230792 YYJZZRBRXLHLIG-RNJXMRFFSA-N 312.713 -0.211 30 20 DBED C=CCn1cc(C(=O)N(C)C[C@@H]2CCN2C(=O)COC)nn1 977735347 XOQABBVXGSNUCJ-NSHDSACASA-N 307.354 -0.217 30 20 DBED C[C@H]1C[C@H](NCC#N)CN1C(=O)c1coc(S(N)(=O)=O)c1 989058746 WUUVXUVLJHGDID-WPRPVWTQSA-N 312.351 -0.357 30 20 DBED N#Cc1cc(C(=O)NC2CN(C(=O)CCc3nc[nH]n3)C2)c[nH]1 990920039 KVYADNJNPINKPS-UHFFFAOYSA-N 313.321 -0.422 30 20 DBED N#Cc1cc(C(=O)NC2CN(C(=O)CCn3ccnn3)C2)c[nH]1 990928246 JUMYQSZTXJNFRE-UHFFFAOYSA-N 313.321 -0.491 30 20 DBED O=C(NC1CN(C(=O)C#CC2CC2)C1)[C@H]1CCS(=O)(=O)C1 995417196 ZMKRRNVUKZYKJY-NSHDSACASA-N 310.375 -0.839 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C(N)=O)nc1 998954430 MSLHIQHJVAXQPC-WXHSDQCUSA-N 312.329 -0.590 30 20 DBED C[C@H](C#N)C(=O)N1CC(CNC(=O)[C@@H]2CCN(C)C(=O)C2)C1 1003065120 YHHFBWHRWFUHSV-ZYHUDNBSSA-N 306.366 -0.411 30 20 DBED C#CCN1CCC(N(C)C(=O)c2cnc(O)n(C)c2=O)CC1 1005812460 VRUHRLINKXIHAX-UHFFFAOYSA-N 304.350 -0.345 30 20 DBED C=CC(C)(C)C(=O)N1CCN(C(=O)c2nnc(O)nc2O)CC1 1011737561 KPYMSYWONUTZHI-UHFFFAOYSA-N 321.337 -0.221 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2cccc(OCC(N)=O)c2)C1 1014624993 LUKNVDOPABKRRK-GFCCVEGCSA-N 302.334 -0.122 30 20 DBED C=C(Cl)CN1CC[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)C1 1016200904 ZQCFUBFRCLWCBD-SNVBAGLBSA-N 314.773 -0.177 30 20 DBED C=CCN1CCC2(CC1)C[C@@H]2NC(=O)C[C@@H]1NC(=O)NC1=O 1016662677 ASBOZKMTYKAVJI-QWRGUYRKSA-N 306.366 -0.259 30 20 DBED O=C1CC[C@@H](C(=O)N2C[C@@H]3CCN(C(=O)C#CC4CC4)[C@@H]3C2)N1 1021588796 CVABOBQULHUBRW-MELADBBJSA-N 315.373 -0.262 30 20 DBED Cc1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2O)cnn1 1023521532 VFXNCIGGPADSLF-XXILOJSOSA-N 303.322 -0.754 30 20 DBED CCCc1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2O)n[nH]1 1024974124 AYSOFCDXCKZTHG-ZWKOPEQDSA-N 319.365 -0.177 30 20 DBED C#CCN(C)[C@@H]1CCCN(C(=O)c2cn(C)c(=O)nc2O)C1 1027677381 SOAKTUVEYMZQJW-LLVKDONJSA-N 304.350 -0.345 30 20 DBED N#Cc1cc(C(=O)NC[C@H]2CCN(Cc3nc(O)n[nH]3)C2)c[nH]1 1028489293 ZCYHXGCRJWWYED-SECBINFHSA-N 315.337 -0.038 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1 1035506446 SAWIVJMIYXHYKE-MJBXVCDLSA-N 323.393 -0.928 30 20 DBED C=CCN[C@@H]1CCN(C(=O)CN2CCC(=O)NC2=O)C[C@H]1C 1036248408 AXJVUPUBPYDICW-VXGBXAGGSA-N 308.382 -0.059 30 20 DBED CC[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)CC[C@H]1NCC#N 1037987462 UYPJOOZVKQEMQU-GHMZBOCLSA-N 307.354 -0.722 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@]1(O)CCN(C(=O)COCC)C1 1039722126 RSXGZSNMRJCKHM-SWLSCSKDSA-N 312.366 -0.859 30 20 DBED Cc1nccc(C(=O)NC[C@@]2(O)CCN(C(=O)[C@H](C)C#N)C2)n1 1039778646 CYOWDXOURYOTGX-BMIGLBTASA-N 317.349 -0.362 30 20 DBED C#CCCCC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1040613984 SYWJGPFBXJKKPS-RPCCPQHDSA-N 320.389 -0.238 30 20 DBED C[C@@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)Cc2cnoc2)C1 1040769929 OUQNHEOFYUMIGF-IINYFYTJSA-N 306.322 -0.544 30 20 DBED C=CCCO[C@H](C)C(=O)NCC1(O)CN(C(=O)CCOC)C1 1041873203 AZZPLXPWDMAJMW-GFCCVEGCSA-N 314.382 -0.306 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(O)(CNC(=O)C2=COCCC2)C1 1041977104 YSKCKOQJNUQRMT-OAHLLOKOSA-N 324.377 -0.303 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)[C@H]2CO[C@@H](C)C2)C1 1042053048 ZCGQJIXPAKAPDP-NWDGAFQWSA-N 312.366 -0.697 30 20 DBED C=CCCCC(=O)N1CC(O)(CNC(=O)C[C@@H]2COC(=O)C2)C1 1042554495 LJZPVWWQVQDEBG-LBPRGKRZSA-N 324.377 -0.015 30 20 DBED C[C@@H]1C[C@H]1C(=O)N1CC(O)(CNC(=O)c2ccc(C#N)[nH]2)C1 1042605741 OYWIYBVYCIZALZ-MWLCHTKSSA-N 302.334 -0.155 30 20 DBED C[C@@H]1CN(C)C[C@@H]1C(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042963656 QXEWNHHREDRUAA-OCCSQVGLSA-N 319.405 -0.713 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)[C@H]2C[C@H]2OCC)C1 1043033349 XNTDOGSRFSXDQJ-QWHCGFSZSA-N 324.377 -0.859 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)C2(CF)CC2)C1 1043039185 ABTHHEBRLVZCFO-NSHDSACASA-N 312.341 -0.536 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)c2c(F)cncc2F)C1 1043310814 RBMDODITRNRVBU-MRVPVSSYSA-N 324.287 -0.177 30 20 DBED C=CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)c2ccncc2)C1 1043568831 OYVRQRLPOUZOJS-GFCCVEGCSA-N 319.361 -0.024 30 20 DBED Cn1nccc1C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1043865839 VLUHWVCDPOMVSC-KOLCDFICSA-N 313.321 -0.939 30 20 DBED CN1CC[C@H](C(=O)N[C@@H]2CN(c3ccncc3C#N)C[C@@H]2O)C1 1043966053 MPGPTGAXNJJRCH-LNSITVRQSA-N 315.377 -0.429 30 20 DBED C=C(C)CN[C@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)[C@H](C)C1 1044606346 GKZZVMSRQIUPGR-NEPJUHHUSA-N 320.397 -0.078 30 20 DBED C=C[C@@H](CC)CC(=O)NCC1(O)CN(C(=O)[C@H]2CCNC2=O)C1 1045072123 CCEKCUXUEHENBE-RYUDHWBXSA-N 323.393 -0.586 30 20 DBED Cc1nc(C(=O)NCC2(O)CN(C(=O)[C@H](C)C#N)C2)cs1 1045130347 LBCNFRKVZYPLGA-MRVPVSSYSA-N 308.363 -0.086 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)[C@@H](C)OCC2CC2)C1 1045540368 GSXUXTXIASLBMZ-GHMZBOCLSA-N 309.366 -0.349 30 20 DBED Cc1ncncc1C(=O)N1CC(O)(CNC(=O)[C@H](C)C#N)C1 1045540670 KRGCMJHFKMMFPM-SECBINFHSA-N 303.322 -0.752 30 20 DBED CC(C)c1n[nH]cc1C(=O)N1CC(O)(CNC(=O)[C@H](C)C#N)C1 1045564772 NBTGUFNGXIKMDV-SNVBAGLBSA-N 319.365 -0.004 30 20 DBED C#CCN1CC[C@H](N2CCN(C(=O)[C@@H]3COCCN3C)CC2)C1 1046021599 ALLAHUCWGKIMKJ-HOTGVXAUSA-N 320.437 -0.831 30 20 DBED C=C1CC(C)(C(=O)NCC2(O)CN(C(=O)[C@H](C)NC(C)=O)C2)C1 1046303599 ZKUCKAGZJXDOSF-NSHDSACASA-N 323.393 -0.443 30 20 DBED CN(C(=O)c1n[nH]c2c1CCCC2)[C@H]1CN(CC#N)C[C@@H]1O 1047441202 IMGMEPNWUWNVLY-STQMWFEESA-N 303.366 -0.071 30 20 DBED C=C[C@@](C)(O)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cc[nH]n2)C1 1048327533 ONTJXTOUEMTCGI-SLEUVZQESA-N 322.365 -0.620 30 20 DBED CCO[C@H](C)C(=O)N(C)[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 1048349320 BVYDYNZUYHPRND-XBFCOCLRSA-N 308.378 -0.145 30 20 DBED CC(C)C#CC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CCCO2)C[C@@H]1O 1048797504 AABSSVBYQYZSSF-IHRRRGAJSA-N 308.378 -0.145 30 20 DBED C#CCCCC(=O)N[C@@H](C)[C@H]1CCN(C(=O)CNC(N)=O)C1 1049982179 BMHAZFWMFKIZNS-RYUDHWBXSA-N 308.382 -0.189 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H]([C@@H](C)NC(=O)COC)C1 1050489440 CBOCLTNVVWXGHQ-VXGBXAGGSA-N 309.366 -0.875 30 20 DBED N#CCN1CCOC[C@@H]1CNC(=O)[C@@H]1CCc2nncn2C1 1051256694 ZJMVNYMMJVDMCY-NEPJUHHUSA-N 304.354 -0.819 30 20 DBED N#Cc1ccc(N2CC[C@@H](NC(=O)c3cc[nH]n3)[C@@H](O)C2)nn1 1051611149 DQRGCUADPSQIBL-PWSUYJOCSA-N 313.321 -0.559 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(C(=O)CC(=O)NC)C[C@H]1C 1052450787 LBQQGROQDZASCE-CHWSQXEVSA-N 323.393 -0.627 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)C[C@@H]1COC(=O)C1)CCO2 1053221676 RQCYEBXRAPCMON-ZDUSSCGKSA-N 306.362 -0.124 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)c3cncc(OC)n3)CO2)C1 1053946162 OWXCYOZOCBQVGV-NSHDSACASA-N 302.334 -0.309 30 20 DBED Cn1oc(C(=O)N2CC[C@@H](Nc3ccc(C#N)nn3)C2)cc1=O 1056618077 MVKQNNKCBLICFH-SNVBAGLBSA-N 314.305 -0.033 30 20 DBED Cc1cc(=N[C@@H]2CCN(C(=O)[C@H]3CCNC3=O)C2)c(C#N)c[nH]1 1056745369 WWVWCVPCEWQAKL-OLZOCXBDSA-N 313.361 -0.168 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)c1ocnc1C 1057194057 XVSCSSFFVBBRLZ-UHFFFAOYSA-N 311.338 -0.264 30 20 DBED COCCC(=O)NCCN(CCO)C(=O)c1cc(C#N)c[nH]1 1057291465 FZDOYQOSSIXQHU-UHFFFAOYSA-N 308.338 -0.526 30 20 DBED C=C(C)CCC(=O)N(CCO)CCNC(=O)[C@@H]1CCC(=O)N1 1057804474 JTSMVTKBCOTCRU-LBPRGKRZSA-N 311.382 -0.442 30 20 DBED CN1CCOC[C@@H]1C(=O)N[C@H]1CCN(c2cnc(C#N)cn2)C1 1058318745 FPKLEKVPIDVFRP-WCQYABFASA-N 316.365 -0.626 30 20 DBED CC#CCCCC(=O)N(CCO)CCNC(=O)Cn1cncn1 1058442866 UYTDUCYNZDOYFZ-UHFFFAOYSA-N 321.381 -0.591 30 20 DBED N#Cc1nccc(N2C[C@@H]3CC[C@H](C2)N3C(=O)c2cnn[nH]2)n1 1058815737 PMMAPUHFBUJXGX-AOOOYVTPSA-N 310.321 -0.040 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)c1ccnnc1 1058937069 KUVUUQUYSMJCMI-UHFFFAOYSA-N 304.350 -0.313 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@H](CCNC(=O)c2nc[nH]n2)C1 1059646740 WZDHFPNGDOUABJ-NEPJUHHUSA-N 319.365 -0.189 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](CCNC(=O)c2cnn(C)n2)C1 1060289857 TVJGOYCPFXFSQA-QWRGUYRKSA-N 304.354 -0.057 30 20 DBED C=CCOCC(=O)N(C)Cc1ccccc1CNC(=O)C(N)=O 1060518459 UYQMHXAVWBJIEX-UHFFFAOYSA-N 319.361 -0.051 30 20 DBED C=CCOCC(=O)NC[C@H]1COCCN1C(=O)c1cnc(C)[nH]1 1061424026 PFEBUERFTYFEHT-LBPRGKRZSA-N 322.365 -0.122 30 20 DBED C=CCCCC(=O)NC[C@H]1COCCN1C(=O)[C@H]1CCNC1=O 1061829401 PXLAFHXJKIMTRT-STQMWFEESA-N 323.393 -0.178 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)Cn2c(O)nnc2O)CCC1 1063866010 RKPPKYXEYMEIIO-MRVPVSSYSA-N 322.325 -0.996 30 20 DBED C=C(C)CCC(=O)NC[C@H]1CN(C(=O)Cn2cnnn2)CCO1 1064841757 ZGTLUBUEYYMGQZ-LBPRGKRZSA-N 322.369 -0.627 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H]1CCCN1C(=O)[C@H]1CNC(=O)N1 1064997702 IDPRWURKJJCRIL-WCQYABFASA-N 314.349 -0.541 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CN(C(=O)Cc2cc[nH]n2)CCO1 1065004443 CAUWSMGHJKVQGX-JQWIXIFHSA-N 305.338 -0.545 30 20 DBED CC(C)C#CC(=O)N1CCO[C@@H](CNC(=O)Cc2ncc[nH]2)C1 1065129431 QIDWTJCGDAMEID-ZDUSSCGKSA-N 318.377 -0.045 30 20 DBED Cn1ncc(C(=O)N2CCO[C@@H](CNC(=O)C#CC3CC3)C2)n1 1065345877 YCBMKWCPSLMELD-LBPRGKRZSA-N 317.349 -0.814 30 20 DBED N#Cc1ccc(N2C[C@H](CNC(=O)c3cc[nH]n3)[C@@H](O)C2)cn1 1067650705 BNWRFLMDNDVHHW-HZMBPMFUSA-N 312.333 -0.097 30 20 DBED Cc1c(C(=O)N[C@@H]2CN(CC#N)C[C@@H]2n2ccnn2)cnn1C 1069896659 ARYWUGBBQDXIRU-OLZOCXBDSA-N 314.353 -0.501 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)Cc2nc[nH]n2)CCOCC1 1070262553 YYGMERBAKBGNSI-JTQLQIEISA-N 320.353 -0.712 30 20 DBED N#CCN1CCN([C@@H]2CCCN(C(=O)[C@H]3CCOC3)C2)C(=O)C1 1071255123 GHSLKBGUSYIGOP-UONOGXRCSA-N 320.393 -0.318 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@@H]1C 1072389731 HBWKXNIRUJRKRQ-WCQYABFASA-N 319.365 -0.568 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)c2cc(C(N)=O)ccn2)C1 1073914739 BFYWTWSWESYYDB-CYBMUJFWSA-N 316.361 -0.366 30 20 DBED C=CCCC(=O)N1CCC(O)(CNC(=O)c2cnn(C)n2)CC1 1074510916 VRCULNMTVBVKAE-UHFFFAOYSA-N 321.381 -0.135 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CCN(C(=O)Cc2cnc[nH]2)CC1 1074759804 YHUAKGPSYFIGAW-LLVKDONJSA-N 319.365 -0.418 30 20 DBED C[C@@H](CCNC(=O)C#CC1CC1)NC(=O)[C@H](C)S(C)(=O)=O 1076433687 LZNWGEKOWPOBHF-QWRGUYRKSA-N 314.407 -0.156 30 20 DBED COc1cccc2c(C(=O)N[C@@H]3CN(CC#N)C[C@H]3O)n[nH]c12 1077071152 KMADURMBUBCCAF-GHMZBOCLSA-N 315.333 -0.130 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2COCCN2C2CCCC2)C1 1077560963 PUDUYSCGUUVCCR-OWCLPIDISA-N 321.421 -0.576 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3nnn(C)c3C2)C1 1077576302 IUIPOEASDNPMRC-UXIGCNINSA-N 317.393 -0.895 30 20 DBED C=C1CCC(C(=O)N[C@@H]2CN([C@@H]3CCNC3=O)C[C@H]2O)CC1 1077621581 PXBNZBHZWXRJFH-MGPQQGTHSA-N 307.394 -0.217 30 20 DBED C[C@@H]1CCn2ncc(C(=O)N[C@@H]3CN(CC#N)C[C@H]3O)c2C1 1078090110 FGTZDIFNLOXWMT-MPKXVKKWSA-N 303.366 -0.236 30 20 DBED C=CCN[C@H]1C[C@H](NC(=O)CN2C(=O)CNC2=O)C12CCC2 1078803239 LQHCCJCSZWSACS-QWRGUYRKSA-N 306.366 -0.259 30 20 DBED CCN(C(=O)CSCC#N)C1CN(C(=O)c2cnn[nH]2)C1 1079342695 XUFQIDMDXWSZCR-UHFFFAOYSA-N 308.367 -0.266 30 20 DBED C=CCCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)CC(N)=O)C1 1079536169 XUKOZTNHOZKYBI-NSHDSACASA-N 311.382 -0.098 30 20 DBED CCN(C(=O)C#CC(C)C)C1CN(C(=O)[C@H]2CCC(=O)N2)C1 1079724363 KEQNQUFRDWRTAM-CYBMUJFWSA-N 305.378 -0.016 30 20 DBED C=C1CCC(C(=O)N2C[C@@H](O)[C@H](CNC(=O)CC(N)=O)C2)CC1 1081367908 IHRWJYLVEFFABG-CHWSQXEVSA-N 323.393 -0.456 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2ccnnc2)C1 1081797546 NCKYJYMAUYAFKR-OLZOCXBDSA-N 320.349 -0.772 30 20 DBED C=CCOCC(=O)N1CCCC[C@H]1CNC(=O)Cn1ncnn1 1081957903 MYABOJXUIIJTTQ-LBPRGKRZSA-N 322.369 -0.627 30 20 DBED C=CCN1C[C@@H](NC(=O)[C@H]2CCN(C)S2(=O)=O)[C@H](OC)C1 1082224640 SVCDDFKLUNNIMF-IJLUTSLNSA-N 317.411 -0.978 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CN1CCCCC1=O 1083129624 WVNYIVBIJMKOEN-QWHCGFSZSA-N 306.366 -0.566 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)C[C@@H]1CCC(=O)N1 1083222606 BFIXGYSRLQYWKT-MELADBBJSA-N 305.378 -0.410 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2ccc3c(c2)OCC(=O)N3)C1 1083526864 OBSCQTTZYGFLHV-OLZOCXBDSA-N 315.329 -0.574 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)C2CCS(=O)(=O)CC2)C1 1083829566 UZKPHGYVCZDNJI-NEPJUHHUSA-N 302.396 -0.842 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CN(C[C@@H](CC)OC)C[C@@H]2O)nn1 1083843354 DEEODZVVZNSTLJ-BZPMIXESSA-N 323.397 -0.336 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)c2cnn(CCOC)c2)C1 1084005184 MGZWNPODYDLLMY-KGLIPLIRSA-N 306.366 -0.672 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)c2cc(C(N)=O)ccn2)C1 1084133069 WPUPVUZUHKGPBM-OLZOCXBDSA-N 304.350 -0.469 30 20 DBED C#CCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCc2nnc(O)n2C1 1085680900 OVNDBGPLGXLDQO-VXGBXAGGSA-N 303.366 -0.288 30 20 DBED C#CCN1CC[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)CC(C)(C)C1 1089505362 FRQDOPOUEAQNIR-NEPJUHHUSA-N 320.393 -0.176 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2cc(OCC)n[nH]2)[C@@H](O)C1 1090354821 MAKHAIULPOYOMB-YPMHNXCESA-N 306.366 -0.003 30 20 DBED CC#CCN1CC[C@@H](NC(=O)Cn2nnnc2C(C)C)[C@H](O)C1 1090633286 MQIAFQCIPLFUBV-CHWSQXEVSA-N 320.397 -0.629 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2c[nH]c(C(N)=O)c2)[C@H](O)C1 1090813742 VQKAYWQFTZJSPD-WCQYABFASA-N 304.350 -0.698 30 20 DBED CCCOCC(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1091071293 BQOQOKOWJIPAGK-NEPJUHHUSA-N 305.338 -0.559 30 20 DBED CO[C@H](C)CC(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1091072711 APYMUKCNIZRBKS-MXWKQRLJSA-N 305.338 -0.561 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(c2nccc(C)n2)C[C@@H]1O 1091153285 ZEYTZYJMGNXKQJ-XQQFMLRXSA-N 304.350 -0.511 30 20 DBED COCC(=O)NC[C@@]1(C)CN(c2ccc(C#N)nn2)CCO1 1092719299 LREKXLJLEJDQDN-AWEZNQCLSA-N 305.338 -0.294 30 20 DBED CC(=O)N1CCO[C@H](C(=O)NC[C@@H]2CN(CC#N)C[C@H]2C)C1 1093170449 SIERIRLAXVMNFG-BNOWGMLFSA-N 308.382 -0.559 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H]1[C@@H]2CN(c3ccc(C#N)nn3)C[C@@H]21 1093309630 AABPQFRKDHUFFW-MUYACECFSA-N 311.345 -0.063 30 20 DBED N#Cc1nc(=NCCNC(=O)COC[C@@H]2CCCO2)cc[nH]1 1093710678 LHFHAOCRMLHNIU-NSHDSACASA-N 305.338 -0.506 30 20 DBED N#Cc1nccnc1NCCCNC(=O)C[C@@H]1CCC(=O)N1 1094494487 OPYYPMBSMAEVGL-JTQLQIEISA-N 302.338 -0.065 30 20 DBED CC1CC(C(=O)N2CCN(CC#N)[C@H]3CS(=O)(=O)C[C@H]32)C1 1094622815 JIDQBHKTXSGSIL-IFWUJCSASA-N 311.407 -0.134 30 20 DBED CCc1oncc1C(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1 1094792426 LZYOOXPCEXIEJC-JTQLQIEISA-N 317.349 -0.225 30 20 DBED CN(CCCNC(=O)[C@H]1CNC(=O)N1)c1ncccc1C#N 1095715230 LBGKFKOTEMBKBD-LLVKDONJSA-N 302.338 -0.423 30 20 DBED CCN(CCCNC(=O)[C@@H]1COC(=O)N1)c1ccc(C#N)nn1 1095870918 POELIYONFVIMAZ-NSHDSACASA-N 318.337 -0.211 30 20 DBED N#Cc1cncc(N(CCCNC(=O)CNC(N)=O)C2CC2)n1 1096001345 CNEREKNDDSQHNV-UHFFFAOYSA-N 317.353 -0.508 30 20 DBED Cn1nnc(C(=O)NC[C@@H](N=c2cc[nH]cc2C#N)C2CC2)n1 1096789008 UADJRSXXOKFEDC-GFCCVEGCSA-N 312.337 -0.481 30 20 DBED CCN1CCOC[C@@H]1C(=O)NC[C@@H](C)Nc1nccnc1C#N 1098128347 DITWVMFVFGXIMA-DGCLKSJQSA-N 318.381 -0.014 30 20 DBED C=C(C)CCNCc1cn([C@H]2CCN(C(=O)C(N)=O)C2)nn1 1098710646 IHJCBZOWLDJJMA-LBPRGKRZSA-N 306.370 -0.407 30 20 DBED N#CCNC(=O)CN1CC[C@H](NC(=O)CC2CCCC2)[C@H](O)C1 1099630695 QFSJOWUGXCLDNR-UONOGXRCSA-N 322.409 -0.242 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CCN(CC=C(C)C)C[C@@H]1O 1099788538 GLZPJRNTTICEDG-KBPBESRZSA-N 307.394 -0.357 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2ccsn2)[C@H](O)C1 1099887264 BOTYCEXLWWVTOD-WCQYABFASA-N 309.391 -0.042 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)Cn2cncc2C)[C@@H](O)C1 1099918963 UPYALWNLFQQSRA-GJZGRUSLSA-N 322.409 -0.054 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1CCN(Cc2nnn(C)n2)C[C@H]1O 1099944903 SGAUFCDNRJSWSN-GHMZBOCLSA-N 308.386 -0.526 30 20 DBED COCC#CCN1CC[C@H](NC(=O)Cc2nonc2C)[C@H](O)C1 1100056128 PFRIFHIBUDKJAH-GXTWGEPZSA-N 322.365 -0.878 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)c2nocc2C)[C@H](O)C1 1100064100 IBPBLCGNHIJNMF-VXGBXAGGSA-N 322.365 -0.550 30 20 DBED Cc1ncc(C(=O)NCC2CC(NCC(=O)NCC#N)C2)[nH]1 1100182845 AFNIHRWENRYFSK-UHFFFAOYSA-N 304.354 -0.544 30 20 DBED CCN(CCNC(=O)Cn1cnnn1)c1ccc(C#N)c(C)n1 1100439669 NVGHAHGUDJPKQP-UHFFFAOYSA-N 314.353 -0.109 30 20 DBED CCN(CCNC(=O)C[C@@H](C)NC(N)=O)c1nccnc1C#N 1100621930 TWBAEFDOJYZTNP-SNVBAGLBSA-N 319.369 -0.262 30 20 DBED CN(CCNc1cnc(C#N)cn1)C(=O)Cn1cnnc1O 1101552115 WMZZKGCXOUIVKD-UHFFFAOYSA-N 302.298 -0.784 30 20 DBED Cc1ocnc1C(=O)NC[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1101775542 DTVFYKPWHCXDEN-ZYHUDNBSSA-N 319.365 -0.080 30 20 DBED Cc1nc(C(=O)NC[C@@H]2CN(CC(=O)NCC#N)C[C@H]2C)co1 1101908462 VRBFRWWZINAPQX-ZYHUDNBSSA-N 319.365 -0.080 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1CNC(=O)Cc1cnoc1 1102266825 LQJVAKRDXWZIQC-DGCLKSJQSA-N 319.365 -0.459 30 20 DBED C[C@@H](CNc1cnc(C#N)cn1)N(C)C(=O)[C@H]1CCC(=O)N1 1104496238 LUJUIJILQUVJMZ-GXSJLCMTSA-N 302.338 -0.114 30 20 DBED C[C@H](CNc1ccc(C#N)nn1)N(C)C(=O)[C@@H]1CN(C)CCO1 1104538178 LMGAZHKBXQMRSS-YPMHNXCESA-N 318.381 -0.062 30 20 DBED Cc1cnoc1C(=O)N1CC(n2cc(CNCC#N)nn2)C1 1105356401 OVIIFQCWNCYNDO-UHFFFAOYSA-N 301.310 -0.115 30 20 DBED CC(=O)N1CCOC2(CCC(NCC(=O)NCC#N)CC2)C1 1105451930 IJWJUOXAYAPRGU-UHFFFAOYSA-N 308.382 -0.224 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H](O)CNC(=O)Cc1cc[nH]n1 1105761628 DNBRQRSNGMBGCO-LBPRGKRZSA-N 300.322 -0.770 30 20 DBED CC[C@@H](OC)C(=O)NC[C@H](O)CNc1nc(C)cc(C#N)n1 1105779965 MNEWCUIPKXQFDQ-NWDGAFQWSA-N 307.354 -0.029 30 20 DBED CN1CC[C@@H](CC(=O)NC[C@@H](O)CNc2cnc(C#N)cn2)C1 1105913525 DZDOEDFENPEYBX-AAEUAGOBSA-N 318.381 -0.421 30 20 DBED C[C@@]1(C(=O)NC[C@H](O)CN=c2cc[nH]cc2C#N)CCOC1 1105938140 BSIPQNCFLRUOLY-IUODEOHRSA-N 304.350 -0.309 30 20 DBED COCC(C)(C)CC(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1 1106030455 SSKGCDQWBXSABF-NSHDSACASA-N 321.381 -0.278 30 20 DBED C[C@H]1CCCN1CC(=O)NC[C@H](O)CN=c1cc[nH]cc1C#N 1106108870 QXDWLZGZWUBWAS-GXTWGEPZSA-N 317.393 -0.252 30 20 DBED N#Cc1nccnc1NC/C=C\CNC(=O)CCNC(N)=O 1107189680 OHCPSGZFMAGCOE-UPHRSURJSA-N 303.326 -0.509 30 20 DBED CC#CCN1CCO[C@](C)(CNC(=O)c2nccnc2N)C1 1107827106 IACRVBCUJUAKEQ-OAHLLOKOSA-N 303.366 -0.097 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@]1(C)CN(CCOC)CCO1 1108002002 SOCBFIUBHKLSPF-RDJZCZTQSA-N 323.437 -0.063 30 20 DBED Cn1c(C(=O)NC[C@]2(C)CN(CC#N)CCO2)cccc1=O 1108205251 KADHGTHQTVLSCD-OAHLLOKOSA-N 304.350 -0.270 30 20 DBED CC(=O)N1CC[C@](C)(C(=O)NC[C@]2(C)CN(CC#N)CCO2)C1 1108329807 VUFDOQZRPKLYSB-JKSUJKDBSA-N 322.409 -0.024 30 20 DBED CC#CCN1CCO[C@](C)(CNC(=O)C(C)(C)NC(=O)NC)C1 1108417471 BNUPGSUPNLIHFV-MRXNPFEDSA-N 324.425 -0.076 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)CC(=O)NCC)CC2=O)C1 1108538461 HVSSWWYXNJXQAK-LLVKDONJSA-N 308.382 -0.900 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)CO[C@@H]3CCOC3)CC2=O)C1 1108545455 WGJPZLNERLYKBR-GXTWGEPZSA-N 323.393 -0.621 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)[C@@H](CC)N(C)C)CC2=O)C1 1108554011 ZVGCPVHNQGHGOS-GXTWGEPZSA-N 306.410 -0.639 30 20 DBED C#CCNC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cn[nH]c1 1108980421 YXYCBTPADCFDPZ-ZZVYKPCYSA-N 315.377 -0.117 30 20 DBED N#Cc1nc(=NC[C@@H](NC(=O)Cn2cncn2)C2CC2)cc[nH]1 1109848320 DWEUINVOHPOTTD-LLVKDONJSA-N 312.337 -0.631 30 20 DBED CN1CCO[C@H](C(=O)NCC2(Nc3ccc(C#N)nn3)CC2)C1 1110090402 BFXBPCLICQGSEM-LBPRGKRZSA-N 316.365 -0.260 30 20 DBED Cc1cc(C#N)nc(N2CC[C@](C)(NC(=O)CC(N)=O)C2)n1 1110733448 LZEAZNXTOICWTI-AWEZNQCLSA-N 302.338 -0.383 30 20 DBED CCOCC(=O)NC[C@@H]1COCCN1c1ccc(C#N)nn1 1111651307 QNVXCMIEHOOGDP-GFCCVEGCSA-N 305.338 -0.294 30 20 DBED CC(C)OCC(=O)N1CCO[C@H](CN=c2cc[nH]c(C#N)n2)C1 1111945647 QYCGELHQVLYNHW-GFCCVEGCSA-N 319.365 -0.166 30 20 DBED C[C@H](NC(N)=O)C(=O)N(C)CCCN(C)c1ccnc(C#N)n1 1112067318 CUYHXFJAYJTZTN-JTQLQIEISA-N 319.369 -0.310 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CCN(c2ccnc(C#N)n2)C[C@H]1C 1112387081 AAVVXYWVFSUKFI-ZYHUDNBSSA-N 316.365 -0.185 30 20 DBED CCOCC(=O)NC[C@H]1CN(c2ccc(C#N)cn2)C[C@@H]1O 1112692348 LZWOMRQFGUMTLL-STQMWFEESA-N 304.350 -0.097 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)[C@@H]2CCN(C)[C@@H]2C)CC1 1112865914 GYBOEMBZRPLWNC-QLFBSQMISA-N 320.437 -0.391 30 20 DBED C[C@H](N=c1cc[nH]c(C#N)n1)[C@H](C)NC(=O)c1c[nH]c(=O)cn1 1113294473 ZIZHZGWBYXJLQV-IUCAKERBSA-N 313.321 -0.528 30 20 DBED C#CCC1(C(=O)NC2[C@H]3CN(CC(=O)NC)C[C@H]23)CCOCC1 1114389243 PGEQERUAAJPGRX-STQMWFEESA-N 319.405 -0.401 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3c[nH]nc3CC)[C@H]2C1 1114502253 QNTIHGRTMKRQAD-JYAVWHMHSA-N 317.393 -0.066 30 20 DBED CNC(=O)CC(=O)N[C@H]1C[C@H](CNc2ccc(C#N)nn2)C1 1114763299 TXAMGUPLOBPVIC-HOMQSWHASA-N 302.338 -0.209 30 20 DBED C[C@H](C#N)C(=O)NCCOCCCNc1ccc2nnnn2n1 1115390198 ATYFPINNFYEBCJ-SNVBAGLBSA-N 318.341 -0.386 30 20 DBED Cc1cc(C#N)nc(N[C@@H](C)CN(C)C(=O)CNC(N)=O)n1 1115603273 QGIFCNQOJAXKMA-VIFPVBQESA-N 305.342 -0.416 30 20 DBED C[C@H](CN(C)C(=O)Cn1cnnc1O)Nc1nccnc1C#N 1115687356 OOOLVGVWIWRACK-SECBINFHSA-N 316.325 -0.396 30 20 DBED C#CCSCCNC(=O)C(=O)N1CCSC[C@@H]1CCO 1117462344 WHZHOULXWYUPFC-NSHDSACASA-N 316.448 -0.205 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)NCC1(C(=O)NCC)CCC1 1117583066 WVXVKOVNNQIKFR-LLVKDONJSA-N 311.382 -0.274 30 20 DBED Cc1cc(C(=O)NC[C@H](CO)Nc2ccc(C#N)nn2)on1 1121061712 MQHXAVSBGSVHQW-SNVBAGLBSA-N 302.294 -0.153 30 20 DBED COCC#CCNC1CC2(C1)CC(NC(=O)Cn1nccn1)C2 1121169076 DWMQZZJOGOUIFG-UHFFFAOYSA-N 317.393 -0.055 30 20 DBED Cc1ccn(C)c1C(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1 1121359338 HJFIIVCBRVUMID-NSHDSACASA-N 314.349 -0.380 30 20 DBED COCCO[C@H](C)C(=O)NC[C@H](CO)N=c1cc[nH]cc1C#N 1122012379 JSUVKMHHIIWKKQ-DGCLKSJQSA-N 322.365 -0.684 30 20 DBED N#Cc1c(Cl)nsc1N[C@@H](CO)CNC(=O)C(N)=O 1122452112 PUHCCPJNQBITOC-SCSAIBSYSA-N 303.731 -0.958 30 20 DBED CNC(=O)CC(=O)N1C[C@@H](Nc2cncc(C#N)n2)C[C@@H]1C 1123202179 IHHWTNSZVOTOSG-UWVGGRQHSA-N 302.338 -0.114 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)c2cc(C)n(C)n2)C1=O 1124298052 OGFGUKFHNREGKR-LBPRGKRZSA-N 305.382 -0.165 30 20 DBED CN(C[C@H](O)CNc1cncc(C#N)n1)C(=O)c1ccn(C)n1 1124352016 JEROIYVFSRFDBQ-LLVKDONJSA-N 315.337 -0.373 30 20 DBED CN(C[C@@H](O)CNc1ccc(C#N)nn1)C(=O)c1ncccn1 1124456809 ZMVNBPOWMOXZNA-NSHDSACASA-N 313.321 -0.317 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)c1cn(C)cn1 1125676673 UJPVHIOBGVAUQG-UHFFFAOYSA-N 306.370 -0.498 30 20 DBED O=C(C#CC1CC1)NCCNCC(=O)N1CCOC[C@H]1C1CC1 1126875396 FBKYNGLHNAUGQR-HNNXBMFYSA-N 319.405 -0.257 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1c(C)noc1C(F)F 1130114058 FMNKKXYCYOWZKH-UHFFFAOYSA-N 314.292 -0.011 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@@H](NCC#N)[C@H](c2cncn2C)C1 1130991420 JGLTZVTXTWRZNW-BFHYXJOUSA-N 315.377 -0.134 30 20 DBED COCCS(=O)(=O)CC(=O)N[C@H]1CC[C@H](C)N(CC#N)C1 1132139668 BFEAVQRLHDDXFS-RYUDHWBXSA-N 317.411 -0.460 30 20 DBED C[C@@H]1CCN(C(=O)c2cnc(O)n(C)c2=O)C[C@H]1CNCC#N 1133026767 OVFFDHDQOFDTRP-GHMZBOCLSA-N 319.365 -0.303 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@H]1CCCc2nc[nH]c21 1133660099 QGZYOWCIMMOIDX-NSHDSACASA-N 305.382 -0.162 30 20 DBED CC#CCN[C@H](C)C[C@H](C)NC(=O)CN1CCCS1(=O)=O 1134557515 PFYJQVONKYFZFT-OLZOCXBDSA-N 315.439 -0.082 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1n[nH]c2c1C[C@@H](C)CC2 1146262543 OWZDMFINUVAIQU-NSHDSACASA-N 317.393 -0.397 30 20 DBED COCC#CCNCCNC(=O)c1cnn(CCCOC)c1 1147056081 LCSNNTBUTMSUIQ-UHFFFAOYSA-N 308.382 -0.111 30 20 DBED Cc1c(C(=O)NCCNCC(=O)NCC#N)cnn1C(C)C 1147301335 UIZFNRILNLHTJG-UHFFFAOYSA-N 306.370 -0.268 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)CNC(=O)c2ccoc2)C1 1149752527 FKDXCRMTGWCGSD-AWEZNQCLSA-N 319.361 -0.150 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1n[nH]c2c1CCCCC2 1151146948 ADAVRTMOCLAGKJ-UHFFFAOYSA-N 318.381 -0.362 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)c1ccnc(O)c1 1152718427 OZUBVUYRSWRPKC-GFCCVEGCSA-N 318.377 -0.023 30 20 DBED COc1ccc(C#N)cc1CNCCCNC(=O)CNC(N)=O 1154457314 DSRDVUDGACRGDR-UHFFFAOYSA-N 319.365 -0.169 30 20 DBED C=CCNC(=O)NC(=O)CNCCCNC(=O)[C@@H](CC)OC 1155493368 QSUDPVTXVDCXLQ-LLVKDONJSA-N 314.386 -0.481 30 20 DBED CC[C@@H]1OCCC[C@@H]1C(=O)NCCCNCC(=O)NCC#N 1159621882 VVQBEIGRYVUKRE-STQMWFEESA-N 310.398 -0.073 30 20 DBED N#CCNC(=O)CNCCCNC(=O)c1n[nH]c2c1CCCC2 1161697869 RVGRKXIDUCXSST-UHFFFAOYSA-N 318.381 -0.362 30 20 DBED C#CCCNCC1(CCNC(=O)C[C@H](NC(C)=O)C(N)=O)CC1 1167398903 BDGWKCQWSVEXRM-ZDUSSCGKSA-N 322.409 -0.734 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)[C@H]1CCN(C(C)=O)C1 1174851687 YEGGYWNWUZZLMH-JSGCOSHPSA-N 322.409 -0.911 30 20 DBED C=CCN1CCO[C@@H]2CCN(C(=O)CS(=O)(=O)NC)C[C@@H]21 1177169814 FKXABSYLAOQJPW-NWDGAFQWSA-N 317.411 -0.977 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2cc(C)ncn2)C1 1182033958 NQQCLLQWCZCPPH-GFCCVEGCSA-N 301.350 -0.661 30 20 DBED C#CCCNC[C@]1(C)CN(C(=O)CN2C(=O)CNC2=O)C[C@H]1C 1183356663 OSVRYVJEJSJACG-MLGOLLRUSA-N 320.393 -0.364 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)[C@@H](C)COC)[C@@H]2C1 1187295715 FASSHJMADXCHOV-MELADBBJSA-N 307.394 -0.449 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2nccn2CC)C[C@H]1O 1192844131 JOHDVPPTBZYDQA-BFHYXJOUSA-N 320.393 -0.397 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2nccc(C)n2)C[C@H]1O 1192886560 SEPWQOASWPEWCR-ZIAGYGMSSA-N 318.377 -0.514 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)COCc2nc(CC)no2)C1 1197650403 OEDOKXSARQLNOA-GHMZBOCLSA-N 310.354 -0.504 30 20 DBED COC[C@H](O)CNC1CCN(C(=O)CSCC#N)CC1 1199388003 RKBHEFDUAVDCCN-GFCCVEGCSA-N 301.412 -0.169 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)[C@@H](C)CC)CCCO1 1199885693 BUTTXMUIAHRDQC-UONOGXRCSA-N 309.410 -0.011 30 20 DBED CC[C@H](C)C(=O)N1CCCO[C@@H](CNCC(=O)NCC#N)C1 1199886034 DTFIOXXBRNZPDN-STQMWFEESA-N 310.398 -0.121 30 20 DBED N#CCNC(=O)CN[C@@H]1C[C@@H](NC(=O)c2cn[nH]c2)C12CCC2 1202492317 YTNRDBZSVHWCCS-VXGBXAGGSA-N 316.365 -0.320 30 20 DBED N#CCN[C@H]1C[C@H](NC(=O)CCCS(N)(=O)=O)C12CCC2 1203326322 UGTWXJFUDMRWTN-QWRGUYRKSA-N 314.411 -0.404 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)Cc2cccnc2)C1 1207801030 NCQGLJKBMYDTOB-OAHLLOKOSA-N 314.389 -0.046 30 20 DBED C=CCOCCN[C@H]1CCCN(C(=O)[C@@H]2CN(C)C(=O)N2)C1 1208961167 IGPUTUFAYRFBIZ-STQMWFEESA-N 310.398 -0.207 30 20 DBED COCC#CCN1C[C@@H](NC(=O)[C@H](C2CC2)N(C)C)[C@H](OC)C1 1212409463 GKOFQQGJKZGYQI-OAGGEKHMSA-N 323.437 -0.208 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)c2nccs2)C[C@H]1C 1216035132 DPGQIPVLQPAJPG-GHMZBOCLSA-N 306.391 -0.057 30 20 DBED C=CCO[C@@H](C)C(=O)N1C[C@@H](NCc2nc(=O)n(C)[nH]2)[C@H](C)C1 1216930277 LDQMQVCJZGAYOL-GRYCIOLGSA-N 323.397 -0.364 30 20 DBED C=CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CCS(C)(=O)=O 1218196598 SVXCAKJHLSNKPA-QWHCGFSZSA-N 316.423 -0.091 30 20 DBED C=CCC(C)(C)C(=O)N[C@@H]1CN(CCS(C)(=O)=O)C[C@@H]1O 1220434614 STGRDDKGQKPMEC-NEPJUHHUSA-N 318.439 -0.205 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@](C)(NC(C)=O)C(C)C)C1 1221129484 GWYODMWIEXWERO-IJEWVQPXSA-N 309.410 -0.278 30 20 DBED Cn1cccc1C(=O)NCC[C@@H]1CN(CC#N)CCS1(=O)=O 1230419774 MMVDSTOCWKYHHL-GFCCVEGCSA-N 324.406 -0.232 30 20 DBED C=CCCC(=O)NCC[C@@H]1CN(C[C@@H](C)O)CCS1(=O)=O 1230437233 XHMASSRLQUDZPM-CHWSQXEVSA-N 318.439 -0.061 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@@H]1CN(C)C(=O)CC1(O)CCC1 1234172015 UQQMKHZKSCCGIM-UONOGXRCSA-N 321.421 -0.038 30 20 DBED CC1(CNC(=O)C(=O)Nc2ccn(CCC#N)n2)OCCO1 1254129821 JCUXOLGXBKWJHE-UHFFFAOYSA-N 307.310 -0.386 30 20 DBED C#C[C@@H](NC(=O)NCc1nnc2n1CCOC2)[C@H]1CCCO1 1255680856 BDLOBFQIEHTARN-GHMZBOCLSA-N 305.338 -0.212 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)CNC(=O)C2CC2)C1 1267737480 OCZLQKDOMLZPQP-GFCCVEGCSA-N 308.382 -0.995 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2COC3(CCCC3)O2)CCO1 1322916750 QSIVUQMJHHBDQM-VXGBXAGGSA-N 323.349 -0.461 30 20 DBED C=C(C)CN1CCC(NC(=O)C(=O)NCc2ncn(C)n2)CC1 1323244798 CQQRYODJNXLFMU-UHFFFAOYSA-N 320.397 -0.412 30 20 DBED C#CCOCCNC(=O)C(=O)N(CCO)CCc1ccccc1 1323260515 OPBHBPSYACKGPP-UHFFFAOYSA-N 318.373 -0.184 30 20 DBED C#CCSCCNC(=O)C(=O)N(C)[C@H]1CCN(CC=C)C1=O 1323355071 FRHLXDMZEKBLJG-LBPRGKRZSA-N 323.418 -0.286 30 20 DBED C#CC1CCN(C(=O)C(=O)N[C@H]2CCN(C(=O)NCC)C2)CC1 1326422303 AFJQNISUSWEWMD-ZDUSSCGKSA-N 320.393 -0.222 30 20 DBED C=CCN(CC=C)C(=O)C(=O)N1C[C@@H](C(=O)OC)C[C@@H](O)C1 1326512183 CGJNFDAOUQUXFU-NWDGAFQWSA-N 310.350 -0.431 30 20 DBED C#CCn1ccc(CN(CC)C(=O)C(=O)N[C@H](C)CNC)n1 1327533092 PSAUPTLDFIMWAD-GFCCVEGCSA-N 305.382 -0.411 30 20 DBED CO[C@@H]1COC[C@H]1NC(=O)CCN/C(O)=C1/N=CC=CC1=O 1328578692 VVHOKRHSOHBUJU-STUSNAMOSA-N 309.322 -0.567 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3C[C@]3(CO)C2)CCN1C1CC1 1329482313 DOEBFEVGQFUSTH-NORZTCDRSA-N 318.377 -0.974 30 20 DBED C#CCN1CCC[C@H]1c1nnc(N2CC[C@H](C(N)=O)C2)n1C 1339718170 YWAUUUPTNFZOKK-RYUDHWBXSA-N 302.382 -0.103 30 20 DBED C=C[C@H](C(=O)OC)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 1339933291 PFTBBUPURAEMFZ-NWDGAFQWSA-N 302.396 -0.481 30 20 DBED O=C(NCCCCCO)NCCN/C(O)=C1/N=CC=CC1=O 1344116327 JBGNSTNHFSUVGH-SEYXRHQNSA-N 310.354 -0.025 30 20 DBED C=CC[C@H](CO)CNC(=O)NCCN1CCC2(C1)OCCO2 1346559818 VTOVBBMWYJKIKR-ZDUSSCGKSA-N 313.398 -0.081 30 20 DBED C=CCN(C(=O)C(=O)N1CCN(CC(=O)N(C)C)CC1)C(C)C 1348163076 HYTSDTGJIHEYBG-UHFFFAOYSA-N 324.425 -0.358 30 20 DBED C#C[C@H]1COCCN1C(=O)NC[C@H]1CC2(CCNCC2)C(=O)O1 1353477102 SSQPNTFRONOODO-QWHCGFSZSA-N 321.377 -0.285 30 20 DBED Cc1nn(C)c(C)c1NC(=O)Cn1cc(C#N)c(O)nc1=O 1361603683 DFJCHRGECTWOCR-UHFFFAOYSA-N 302.294 -0.190 30 20 DBED C[C@@H](CO)[C@H]1CCCCN1C(=O)Cn1cc(C#N)c(O)nc1=O 1363239518 MEFJSBLEFUYFSH-CMPLNLGQSA-N 320.349 -0.170 30 20 DBED CN(C)C(=O)Cn1cc(NC(=O)N2CC[C@@](O)(CC#N)C2)cn1 1365040275 JDOOHKZWFJULTH-AWEZNQCLSA-N 320.353 -0.146 30 20 DBED N#CCC1(CS(=O)(=O)NC[C@H]2CC[C@H](C(N)=O)O2)CC1 1365681845 YIXODCSQJKWPLK-NXEZZACHSA-N 301.368 -0.367 30 20 DBED COC(=O)NCC(=O)N(C)CCNC(=O)c1cc(C#N)c[nH]1 1373396628 MAZYDKDHVYCNMJ-UHFFFAOYSA-N 307.310 -0.569 30 20 DBED C[C@@H](CC(N)=O)C(=O)NC[C@H](O)CNCc1ccc(C#N)cc1 1379235585 XZGICCSIVGPGGF-SMDDNHRTSA-N 318.377 -0.364 30 20 DBED C[C@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)Cn1cncn1 1389283961 CLRVJYOLTLQTJN-SECBINFHSA-N 301.310 -0.587 30 20 DBED CN(CCN(C)C(=O)c1ccc(C#N)[nH]1)C(=O)Cn1cnnn1 1391731989 REAIVBQWFVFDJX-UHFFFAOYSA-N 316.325 -0.897 30 20 DBED CNC(=O)NCCC(=O)N1CC[C@](C)(CNC(=O)[C@@H](C)C#N)C1 1394405238 WJNASKWMRJRTNL-XHDPSFHLSA-N 323.397 -0.180 30 20 DBED CCNC(=O)NC(=O)[C@H](C)N(C)CCN(C)C(=O)[C@@H](C)C#N 1406082561 XEDKNWCXOULTDM-QWRGUYRKSA-N 311.386 -0.230 30 20 DBED CC(=O)N1CC(C(=O)N2CCC(NC(=O)[C@@H](C)C#N)CC2)C1 1407275703 FATKVYZNECBWIE-JTQLQIEISA-N 306.366 -0.268 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CN(C)C(=O)Cn2cnnn2)CC1 1409010531 FIAYOIBLCAWUAB-LLVKDONJSA-N 319.369 -0.470 30 20 DBED C[C@@H](NC(=O)CCn1cc(C#N)c(O)nc1=O)c1ccn(C)n1 1412232691 YAJSWNNDOMSGPW-SECBINFHSA-N 316.321 -0.178 30 20 DBED C[C@H](C#N)C(=O)NC1CN(C(=O)[C@@H]2CCCc3nn[nH]c32)C1 1416047201 PTGAZZLDUGONOT-PSASIEDQSA-N 302.338 -0.289 30 20 DBED CNC(=O)c1ccc(C(=O)NC[C@H](C)NC(=O)[C@@H](C)C#N)cn1 1416938337 AKXHZNJESIIMDS-UWVGGRQHSA-N 317.349 -0.165 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCC(=O)N1C)NC(=O)c1c[nH]c(C#N)c1 1428773023 VNGZBPCXQLGSAF-JOYOIKCWSA-N 317.349 -0.258 30 20 DBED CC(=O)N1CC[C@](C)(C(=O)N2CC(NC(=O)[C@H](C)C#N)C2)C1 1432342535 QUHVYKXZLYQVIH-BMIGLBTASA-N 306.366 -0.268 30 20 DBED Cc1nsc(N(C)C(=O)Cn2cnc(C(N)=O)n2)c1C#N 1436645775 PZUHIRNIMVDOAA-UHFFFAOYSA-N 305.323 -0.323 30 20 DBED Cn1c(N[C@@H](CO)[C@H]2CCCOC2)c(C#N)c(=O)n(C)c1=O 1458431936 SUGVROKGNZESKL-ONGXEEELSA-N 308.338 -0.845 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)CCn2cnccc2=O)CC1 1459095993 FSCDXHNZVMYBDE-LLVKDONJSA-N 317.349 -0.442 30 20 DBED N#Cc1ccc(CS(=O)(=O)N2C[C@@H](CO)[C@@H](CO)C2)cc1 1464329431 UIHUIYACPHVDOK-OKILXGFUSA-N 310.375 -0.079 30 20 DBED C[C@H]1C[C@H](NC(=O)CCn2cc(C#N)c(O)nc2=O)CCN1C 1465559820 KKKCZSSOZVWVNW-CMPLNLGQSA-N 319.365 -0.190 30 20 DBED C[C@H](C#N)C(=O)N(C)CCN(C)Cc1cc(=O)n(C)c(=O)n1C 1496680891 XYVZEAUAKUQTHQ-LLVKDONJSA-N 321.381 -0.866 30 20 DBED CC(=O)NCC(=O)NCCN(C(=O)c1ccc(C#N)[nH]1)C1CC1 1497364644 VFLJVEQGPFABBK-UHFFFAOYSA-N 317.349 -0.257 30 20 DBED CNC(=O)CN[C@H](C)[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCO1 1506829924 BETQJVGQSZCZJH-MFKMUULPSA-N 319.365 -0.549 30 20 DBED CCCC[C@@H](CNC(=O)[C@H](C)C#N)NC(=O)Cn1cnnn1 1509294083 ZYRMTTDHDDOSFI-MNOVXSKESA-N 307.358 -0.376 30 20 DBED C[C@H](C#N)C(=O)N1CCCO[C@H](CNC(=O)Cc2cnc[nH]2)C1 1512351814 RDVUIVLUMWRHDW-DGCLKSJQSA-N 319.365 -0.154 30 20 DBED C[C@@]1(C(=O)N2CCN(c3ncccc3C#N)CC2)C[C@@H](O)CN1 1573597493 RMPIDBVCDHISHK-CJNGLKHVSA-N 315.377 -0.285 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)Nc1c(C(=O)O)cnn1C 1588390384 TXFMHBCVVBQEBJ-VIFPVBQESA-N 322.321 -0.399 30 20 DBED C#CCn1ccc(CN(CC)C(=O)c2cn(CC(=O)O)nn2)n1 1588433154 LJYUWYSOUJCJLA-UHFFFAOYSA-N 316.321 -0.145 30 20 DBED C[C@H](CC#N)N(C)C(=O)C(=O)Nc1cccc(-c2nn[nH]n2)n1 1589787879 QXLSWFARPGPFQG-MRVPVSSYSA-N 314.309 -0.039 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](C)Nc1ccc(-c2nn[nH]n2)nn1 1589850002 YDTCZVQTEZDQGO-JGVFFNPUSA-N 301.314 -0.267 30 20 DBED N#Cc1cccc(CNC(=O)CN2CCOC[C@@H]2C(=O)O)c1 1594625530 KZTUFMWXEWJFLK-CYBMUJFWSA-N 303.318 -0.040 30 20 DBED N#CCNC(=O)CNC(=O)NCc1ccc(C(=O)O)cc1F 1601074784 QNYIZJHXPRNELQ-UHFFFAOYSA-N 308.269 -0.037 30 20 DBED N#Cc1ccc(OC[C@H](O)Cn2nnc(CC(=O)O)n2)cc1 1601110403 WROFGHHZQWUWEM-SNVBAGLBSA-N 303.278 -0.388 30 20 DBED C#CCNC(=O)[C@@H](C)OC(=O)c1ccc(-c2nn[nH]n2)c(C)n1 1602722275 JNXFOSPNFGMMJO-SECBINFHSA-N 314.305 -0.135 30 20 DBED C=CCCCS(=O)(=O)NCCn1cnc(-c2nn[nH]n2)n1 1602839735 GECHRENWHYRVFT-UHFFFAOYSA-N 312.359 -0.656 30 20 DBED Cc1nc2n(n1)C[C@H](NC(=O)NCCn1cnc(C#N)n1)CC2 1647190569 TZNVRPVIAMTBMV-SNVBAGLBSA-N 315.341 -0.636 30 20 DBED COC[C@](C)(O)c1nnc(N2CCN(CCC#N)CC2)n1C 1650278210 YXCZIPSSQSYSFZ-AWEZNQCLSA-N 308.386 -0.295 30 20 DBED N#CCNC(=O)CN[C@H](CNC(=O)[C@@]1(F)CCOC1)C1CC1 1752479539 GBGYCHABLQGZLW-BXUZGUMPSA-N 312.345 -0.761 30 20 DBED C#CCNC(=O)CN[C@H](CNC(=O)Cn1ccnc1C)C1CC1 1752498661 COBMSKNRDQDTPF-CQSZACIVSA-N 317.393 -0.575 30 20 DBED N#CCNC(=O)CNC1CCC(NC(=O)c2cnns2)CC1 1752847438 PKKIZWIGSYRDQM-UHFFFAOYSA-N 322.394 -0.192 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCC[C@@H](C)NCC(=O)N1CCC1 1753008312 VGWFVEXZLYINBU-CABCVRRESA-N 320.437 -0.199 30 20 DBED C#CCNC(=O)CN[C@H](C)CCNC(=O)Cn1nccc1C 1753014581 PMMCOADVLYGUBV-GFCCVEGCSA-N 305.382 -0.575 30 20 DBED C#CCNC(=O)[C@H](C)NCCN(C)C(=O)COc1cccnc1 1753242381 QOLZAOUEIGOGKZ-ZDUSSCGKSA-N 318.377 -0.354 30 20 DBED C=C(C)CCC(=O)NC1CN(CC(=O)N[C@H](C)C(=O)N(C)C)C1 1753379554 UJAAAYSIZRCKRR-GFCCVEGCSA-N 324.425 -0.264 30 20 DBED C#CCNC(=O)CN1CC[C@H](N(C)C(=O)CC2OCCCO2)C1 1753435789 YGUHGPNGRAVBJE-ZDUSSCGKSA-N 323.393 -0.578 30 20 DBED CCN(C(=O)CC1(O)CCC1)[C@@H]1CCN(CC(=O)NCC#N)C1 1753455954 OWZCIUUTJUALMV-CYBMUJFWSA-N 322.409 -0.146 30 20 DBED C#CCNC(=O)[C@@H](C)NCC[C@H](C)NC(=O)c1cn(C)nn1 1753962548 SGCYRUHRMWFXNQ-WDEREUQCSA-N 306.370 -0.949 30 20 DBED Cc1cn2c(n1)C[C@H](C(=O)NC[C@@]1(O)CCN(CC#N)C1)CC2 1754752274 FHHOXLUCTQZHTK-CJNGLKHVSA-N 317.393 -0.170 30 20 DBED C=CCN1CC[C@@](O)(CNC(=O)c2cnc3[nH]nnc3c2)C1 1754753716 JBDDWJUUGUQVPU-CQSZACIVSA-N 302.338 -0.295 30 20 DBED C#CCO[C@H](C)C(=O)N1CCO[C@H](CNCc2csnn2)C1 1755001839 GCLJQNMUKLOLIN-DGCLKSJQSA-N 324.406 -0.107 30 20 DBED C=C(C)CNC[C@@H]1CN(C(=O)CN2CCN(C)C(=O)C2)CCO1 1755004327 FZYPTUNVWZMFPF-CQSZACIVSA-N 324.425 -0.847 30 20 DBED C[C@@]1(C(=O)N2CCC[C@](CO)(NCC#N)C2)CCC(=O)NC1 1755087177 ATHSJTVGXMPCIP-CABCVRRESA-N 308.382 -0.631 30 20 DBED C#CCCN[C@]1(CO)CCCN(C(=O)[C@H]2CCN(C)C2=O)C1 1755087566 FFMDFKKKBYVZNI-XJKSGUPXSA-N 307.394 -0.569 30 20 DBED CN(C(=O)[C@@H]1[C@H]2COC[C@H]21)[C@@H](CNCC(=O)NCC#N)C1CC1 1755565197 ULEIZVVEYNDLEA-SFDCQRBFSA-N 320.393 -0.655 30 20 DBED C=C(C)CN[C@@H]1C[C@@H](C)N(C(=O)CNS(=O)(=O)NC)C1 1755683811 CKMAOVMQNZJUNF-GHMZBOCLSA-N 304.416 -0.805 30 20 DBED CC(C)C#CC(=O)N1C[C@H]2C(CNC(=O)Cn3ncnn3)[C@@H]2C1 1756202474 ZLDANBHGGUSBKV-STQMWFEESA-N 316.365 -0.847 30 20 DBED C=CCOCC(=O)NC[C@H]1C[C@H](NC(=O)C(C)(C)C(N)=O)C1 1756252417 KQVTWMCBXJESHJ-XYPYZODXSA-N 311.382 -0.289 30 20 DBED C[C@H](C#N)C(=O)NCCOCCN(C)C(=O)Cn1cncn1 1756381304 CXUKRWIEXSWCKU-LLVKDONJSA-N 308.342 -0.971 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@H](CNC(=O)CC(N)=O)C(C)(C)C 1756709213 IBGFSZBRUWEWHD-MEBBXXQBSA-N 313.398 -0.164 30 20 DBED COC(=O)Cc1coc(/C=C/C(=O)c2cn(CC(=O)O)nn2)n1 1777109690 MLROJIOHLOLORN-NSCUHMNNSA-N 320.261 -0.038 30 20 DBED C[C@H](O)C(=O)N1CC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1783516032 GQMDZCZZJDKTDJ-LRDDRELGSA-N 306.362 -0.390 30 20 DBED C/C(=C/C(=O)N1CC[C@]2(C1)CN(C(=O)CC#N)CCO2)C(=O)O 1785412468 PDBRIUMOETVNDI-QIENPNARSA-N 321.333 -0.239 30 20 DBED CNC(=O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC#N)[C@H]2C1 1786363889 GVLJLDJEQPFZAR-SRVKXCTJSA-N 322.365 -0.984 30 20 DBED C=CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)NC=O)[C@H]2C1 1789883184 GKVYVDMLMYMPFX-XUXIUFHCSA-N 323.393 -0.323 30 20 DBED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](N)[C@@H](C)CC)C[C@@H]21 1790790501 DWMBBSFWEXSUFF-YGJAXBLXSA-N 321.421 -0.027 30 20 DBED COCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C#CC(=O)O)C2 1795778376 JFZAQKLYGUJLTF-ZSBIGDGJSA-N 308.334 -0.251 30 20 DBED C=CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc[nH]n1 1796031733 FVLCGXIPSOQYLD-PEGIJTEDSA-N 305.338 -0.416 30 20 DBED COC(C)(C)C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1841110237 ZLYGKMUPHHFUKP-UHFFFAOYSA-N 308.334 -0.297 30 20 DBED C#CC(=O)N1CCCC12CN(C(=O)c1cnc(OC)cn1)C2 1845958536 UGFNWEKKBCSMOL-UHFFFAOYSA-N 300.318 -0.065 30 20 DBED CCCNC(=O)NC(=O)Cn1c(=O)c(C#N)cn(CC)c1=O 26158716 TWKMZIMAODKJNT-UHFFFAOYSA-N 307.310 -0.863 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCCN(C)[C@@H](C)CC)C1=O 66139972 PYUQDLQFLCVNLG-NSHDSACASA-N 324.381 -0.190 30 20 DBED C=CCNC(=O)NC(=O)CN(C)CCCc1n[nH]c(N)c1C#N 153260865 OCDOFHOTSQYTBG-UHFFFAOYSA-N 319.369 -0.260 30 20 DBED C=CCNC(=O)NC(=O)Cn1c(-c2cccnc2)noc1=O 161307358 DHCVYHGIIHEJCF-UHFFFAOYSA-N 303.278 -0.090 30 20 DBED C[C@H](CC#N)N(C)CC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O 161907581 XTBSGVIGEXVVCP-MRVPVSSYSA-N 305.338 -0.130 30 20 DBED N#Cc1ccc(CS(=O)(=O)N[C@H](CC(=O)O)C(=O)O)cc1 166494277 CCXLJQJKTKAXHE-SNVBAGLBSA-N 312.303 -0.094 30 20 DBED C=C(C)C/N=C(\NCC(=O)N(C)C)N[C@H]1CCC(=O)N(C)C1 262276285 HZRHPSDSFIHFOK-LBPRGKRZSA-N 309.414 -0.193 30 20 DBED C#CCNC(=O)CN1CCN(c2c([N+](=O)[O-])c(C)nn2C)CC1 264305834 MNEZGSBHQARGAG-UHFFFAOYSA-N 320.353 -0.492 30 20 DBED CC#CC[C@@H](NS(=O)(=O)c1cnn(CCOC)c1)C(=O)O 275032936 QGSIXVCMUZSPBI-LLVKDONJSA-N 315.351 -0.326 30 20 DBED C=C[C@H](CO)NC(=O)C(=O)Nc1c(OC)ncnc1N(C)C 289956850 DSMMZJWGTUFGMB-MRVPVSSYSA-N 309.326 -0.847 30 20 DBED Cn1ncc(CCCNc2c(C#N)c(=O)n(C)c(=O)n2C)n1 292705270 GJOFVDLCZMPGRB-UHFFFAOYSA-N 303.326 -0.871 30 20 DBED CN1CCO[C@H](C/N=C(/O)NC[C@H](O)C2CCOCC2)C1 329577997 KLSJAVJDDOSYMW-OLZOCXBDSA-N 301.387 -0.392 30 20 DBED CN(C[C@@H]1CCOC1)/C(O)=N/CCN1CCCS1(=O)=O 330168821 BCKSNRSPGJGCKN-NSHDSACASA-N 305.400 -0.096 30 20 DBED CN(CCC#N)C(=O)CCN1CCC[C@@H](S(N)(=O)=O)C1 330820702 HBWPIRBVJNAHJZ-LLVKDONJSA-N 302.400 -0.499 30 20 DBED COC(=O)[C@H]1CNC(=O)CN1C(=O)c1ccc(C#N)c(C)n1 330992640 SQVRLJQZJZIHMF-LLVKDONJSA-N 302.290 -0.625 30 20 DBED CC[C@@H](N/C(O)=N/[C@@H](C)C(=O)N(C)C)C(=O)N1CCOCC1 331145345 VRCFPHHPMHUYAR-WDEREUQCSA-N 314.386 -0.396 30 20 DBED C[C@@H]1[C@@H](NS(=O)(=O)N2CCO[C@H](C#N)C2)CCCN1C 336896524 NTEHYHYOYKPGPC-UTUOFQBUSA-N 302.400 -0.472 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)NCC(=O)NCC(F)(F)F 336914344 LOZDEMJWTUSPNN-ZETCQYMHSA-N 316.305 -0.409 30 20 DBED CCOC(=O)CN(CCOC)C(=O)[C@@H](C)n1cnc(C#N)n1 336963826 HDHGPGPACYAVNX-SNVBAGLBSA-N 309.326 -0.251 30 20 DBED Cc1cc(CNc2c(C#N)c(=O)n(C)c(=O)n2C)nc(C)n1 343164261 VDOYPQIJECOODF-UHFFFAOYSA-N 300.322 -0.025 30 20 DBED Cc1cc(C(=O)NCC(=O)NCC#N)c2c(O)nn(C)c2n1 343521292 JCSDBDZOUXUTTC-UHFFFAOYSA-N 302.294 -0.648 30 20 DBED CCS(=O)(=O)Nc1ccccc1C(=O)NCC(=O)NCC#N 343529586 UDXPRXCFVSIHLV-UHFFFAOYSA-N 324.362 -0.182 30 20 DBED N#CCNC(=O)CNC(=O)c1ccccc1CN1CCOCC1 343552791 WVOZCLNXXZRZBU-UHFFFAOYSA-N 316.361 -0.112 30 20 DBED C=CCN1CCC(NC(=O)C(=O)N2C[C@@H]3CC[C@H](O)[C@H]3C2)CC1 343770510 USLUDSZXDHPRER-QEJZJMRPSA-N 321.421 -0.018 30 20 DBED C[C@@H]1C(=O)Nc2cc(C(=O)NCC(=O)NCC#N)ccc2N1C 344117326 OQFYRKRHJFZAPB-SECBINFHSA-N 315.333 -0.167 30 20 DBED C=CC[C@H](CO)CNC(=O)c1cc(N2CCNC(=O)C2)ccn1 346587711 HNUUHAJCTQVNSG-LBPRGKRZSA-N 318.377 -0.068 30 20 DBED CC(C)(CO)[C@@H](NS(=O)(=O)N1CCO[C@@H](C#N)C1)C1CC1 352585633 HFGMTOSXWKVUCX-RYUDHWBXSA-N 317.411 -0.158 30 20 DBED CN(CC(=O)N1CCOCC1)[C@H](C(N)=O)c1ccc(C#N)cc1 360293765 ULUKASHMYMWHNR-HNNXBMFYSA-N 316.361 -0.125 30 20 DBED C#CCN(C)S(=O)(=O)CCCS(=O)(=O)NC(C)(C)C 491631525 OJFKFVFPURYOOX-UHFFFAOYSA-N 310.441 -0.011 30 20 DBED N#CC1(CS(=O)(=O)N[C@H](CC(=O)O)C(=O)O)CCCC1 548203089 NIMGZKZVHHKXIH-MRVPVSSYSA-N 304.324 -0.082 30 20 DBED C=CCn1cc(CNC(=O)N2CCN3CCOC[C@H]3C2)nn1 567743267 IWESQODDVINORC-CYBMUJFWSA-N 306.370 -0.310 30 20 DBED N#Cc1cncc(S(=O)(=O)N[C@H](C(=O)O)[C@@H]2CCOC2)c1 589542953 OZLQBHVYKBEJRJ-KOLCDFICSA-N 311.319 -0.279 30 20 DBED C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC(C)(C)C1 594636988 JQCZZKRPTGQSDB-JTQLQIEISA-N 323.440 -0.120 30 20 DBED C#CC[C@@H](CO)NC(=O)[C@@H](CCSC)NS(=O)(=O)CC 717769709 KQHLDCVSFQRABI-WDEREUQCSA-N 322.452 -0.452 30 20 DBED CN(C)CCOc1ccc(C=NNC(=S)NCC(N)=O)cc1 731929965 OFJPFTHLBRCNQI-UHFFFAOYSA-N 323.422 -0.090 30 20 DBED C[C@@H](O)C(=O)N1CCN(C(=O)COc2cccc(C#N)c2)CC1 766023810 PXBKRXQGAIUFTP-GFCCVEGCSA-N 317.345 -0.011 30 20 DBED CCS(=O)(=O)NCC(=O)O[C@H](C)C(=O)N(C)CCC#N 767389480 SRVMBIMXCOHKTK-SECBINFHSA-N 305.356 -0.771 30 20 DBED C#C[C@H](NC(=O)c1cn(CC(=O)N(C)C)nn1)[C@H]1CCCO1 772886614 RDDYYBJJWBZELP-CMPLNLGQSA-N 305.338 -0.723 30 20 DBED CN1CC[C@H](C(=O)NS(=O)(=O)CC2(C#N)CCCC2)C1=O 774305257 RDOPLGWYYHFTMH-SNVBAGLBSA-N 313.379 -0.005 30 20 DBED C#CCOCCNC(=O)N[C@H]1CCOC[C@H]1OCCOC 776908701 MQHQAAIBHZXIQB-QWHCGFSZSA-N 300.355 -0.244 30 20 DBED N#Cc1cccc(S(=O)(=O)NC(=O)CN2CCOCC2)c1 778597512 HLFJAKIQZJZIGR-UHFFFAOYSA-N 309.347 -0.305 30 20 DBED Cn1cnn(CC(=O)OCC(=O)Nc2sccc2C#N)c1=O 779127206 JRTWVRDMXRHFFV-UHFFFAOYSA-N 321.318 -0.303 30 20 DBED C=CCS(=O)(=O)CCNS(=O)(=O)c1ccc(C#N)nc1 782987044 IFJFCASKUTYFEP-UHFFFAOYSA-N 315.376 -0.168 30 20 DBED C=CCCn1cc(C(=O)NS(=O)(=O)c2cn(C)cn2)nn1 821366062 XLQACICWLFLRLE-UHFFFAOYSA-N 310.339 -0.294 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)NCC[S@@](=O)CC 828078674 FWXYUGYTGNYLFD-FQEVSTJZSA-N 302.396 -0.631 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)COCCC=C)CC1 831560613 CGMZKXKFQXPBBR-UHFFFAOYSA-N 315.395 -0.809 30 20 DBED C#CC1CCN(C(=O)C(=O)Nc2cccc(C(N)=O)n2)CC1 834304091 WIBKORPKUNIIDC-UHFFFAOYSA-N 300.318 -0.009 30 20 DBED C=CCS(=O)(=O)CCNC(=O)c1ccc2nc(O)[nH]c2n1 842245988 DMPRPKFDPSIJNL-UHFFFAOYSA-N 310.335 -0.006 30 20 DBED C#CCN(C)C(=O)C(=O)N(CCN1CCOCC1)CC1CC1 850700868 WSUJDWZOTKHLGQ-UHFFFAOYSA-N 307.394 -0.351 30 20 DBED C#CCN1CCN(C(=O)CN2CCc3cnc(N)nc3C2)CC1 857927321 NIQQMBZAYSNNTC-UHFFFAOYSA-N 314.393 -0.806 30 20 DBED C#C[C@@H](NC(=O)N1CCC(C(=O)NCCO)CC1)[C@@H]1CCCO1 875506092 CDMLBLBKEYPBIA-KGLIPLIRSA-N 323.393 -0.303 30 20 DBED COCCCNC(=O)[C@@H](C#N)C(=O)Cn1cc([N+](=O)[O-])cn1 916870856 NGKCQLHJHYREEI-JTQLQIEISA-N 309.282 -0.347 30 20 DBED CC(C)NC1(CO)CCN(S(=O)(=O)N(C)CCC#N)CC1 917528259 SPRJNXOYZLPXOA-UHFFFAOYSA-N 318.443 -0.098 30 20 DBED C#CCOCCNC(=O)NCC1(O)CCC2(CC1)OCCO2 921931637 HYKVGMJXJWOADV-UHFFFAOYSA-N 312.366 -0.016 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCN(C(=O)Cn3ncnn3)CC2)C1 944942825 ZWBRQRLSJMGCSZ-LLVKDONJSA-N 317.353 -0.716 30 20 DBED C#Cc1cncc(C(=O)NC[C@H]2CCC[C@@H]2NC(=O)C(N)=O)c1 946299141 PUGRTKCOLJDEIS-YPMHNXCESA-N 314.345 -0.437 30 20 DBED C#CCN1CC[C@H](NC(=O)c2nccnc2C(N)=O)C[C@@H]1C 948018078 ZEYQNUYTENHUDH-QWRGUYRKSA-N 301.350 -0.209 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@](C)(NC(=O)C2CC(=O)NC(=O)C2)C1 957202632 LJKHHTKAFJHTNP-BJOHPYRUSA-N 320.349 -0.694 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](CNC(=O)c2ccc(C(N)=O)o2)C1 958239014 IRNVJJRRBIPYHE-GHMZBOCLSA-N 307.350 -0.023 30 20 DBED C#CCCN1C[C@@H](O)[C@@H](CNC(=O)c2cc(=O)c(OC)co2)C1 958262088 GQUOPWTVWVLUPS-WCQYABFASA-N 320.345 -0.306 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cnccn2)C1 958451374 IJGQSKLXLNWVMO-USWWRNFRSA-N 303.322 -0.720 30 20 DBED Cn1nnnc1CN1C[C@H]2[C@H](NC(=O)c3c[nH]c(C#N)c3)[C@H]2C1 958588263 YEDPXJQLRVOQHX-PJXYFTJBSA-N 312.337 -0.730 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CN(C(=O)[C@@H]3COCCO3)C[C@H]2C1 961062439 CTJSOSHTJCJIDD-NDBYEHHHSA-N 307.350 -0.522 30 20 DBED C=C(C)CN1CC[C@H](C)[C@H](NC(=O)CN2CCNC(=O)C2)C1 967724241 PNUITYXNXBHDRD-UONOGXRCSA-N 308.426 -0.179 30 20 DBED C[C@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)[C@H]1CCC(=O)N1)C2 969805477 IWDBYASEHLGKLF-NOOOWODRSA-N 304.350 -0.374 30 20 DBED C=C1CC(C)(C(=O)N2C[C@H](O)[C@H](NC(=O)Cc3cnc[nH]3)C2)C1 970956662 JPYNWHYZQKTVCJ-OLZOCXBDSA-N 318.377 -0.004 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)c3cc(OC)n(C)n3)C2)C1 972461825 YOGRTTMZHCUKFO-MRXNPFEDSA-N 318.377 -0.021 30 20 DBED N#CCN1CCO[C@@]2(CCN(C(=O)c3ccc(C(N)=O)[nH]3)C2)C1 972554363 PMAYKLFGQPLHNE-HNNXBMFYSA-N 317.349 -0.446 30 20 DBED CN1C(=O)CCC[C@H]1C(=O)N1CC[C@]2(CN(CC#N)CCO2)C1 972659927 QKYQIVWRJVEHIX-BBRMVZONSA-N 320.393 -0.176 30 20 DBED C[C@@H](C(=O)N[C@H]1[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]21)N1CCOCC1 976812427 KUMFSKPZCCYTMF-BJJPWKGXSA-N 320.393 -0.560 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](CNC(=O)C2CC(=O)NC(=O)C2)C1 983216802 QUXKKTVUGMTKEJ-ZJUUUORDSA-N 320.349 -0.836 30 20 DBED C[C@@]1(CC(=O)N2CCCN(CC#N)CC2)CCS(=O)(=O)N1 989557231 DVUUYFCDIKHMEH-ZDUSSCGKSA-N 314.411 -0.484 30 20 DBED C=CCN[C@H]1C[C@@H](C)N(C(=O)CCn2cc[nH]c(=O)c2=O)C1 989561654 HMQGUMOUWOJIRY-NEPJUHHUSA-N 306.366 -0.308 30 20 DBED CN1CCO[C@@H](C(=O)N2CC(NC(=O)c3cc(C#N)c[nH]3)C2)C1 990695158 JOXYRQMATKCKID-CYBMUJFWSA-N 317.349 -0.842 30 20 DBED Cc1[nH]nc(C(=O)N2CC(NC(=O)c3cc(C#N)c[nH]3)C2)c1O 990695680 MGLVFOHUBVVLIC-UHFFFAOYSA-N 314.305 -0.122 30 20 DBED C=C(C)CN1CCC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@H]1C 993333696 HXONKGNOFZFRKL-VXGBXAGGSA-N 320.397 -0.078 30 20 DBED CC1(C)CN(C(=O)Cn2ccc(O)nc2=O)C[C@H]1NCC#N 996011192 XNACKWKUZPWYOK-SNVBAGLBSA-N 305.338 -0.701 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)[C@@]2(C)CNC(=O)C2)C1 996281455 JQHRTDKKWDIDJX-BFQNTYOBSA-N 321.377 -0.569 30 20 DBED O=C1CC[C@H](C(=O)NC2CN(C(=O)C#CC3CC3)C2)CCN1 996531268 AZENUIWINXVMBP-LBPRGKRZSA-N 303.362 -0.357 30 20 DBED C=CCN1CCC(CNC(=O)C2CC3(C2)NC(=O)NC3=O)CC1 1001919794 DGCHRDVDKMRMTG-UHFFFAOYSA-N 320.393 -0.011 30 20 DBED C[C@H](NC(=O)c1cnn(C)n1)C1CN(C(=O)C#CC2CC2)C1 1006425832 VALYLBCYGACYKP-JTQLQIEISA-N 301.350 -0.195 30 20 DBED CCN1C[C@@H](C(=O)N2CCN(C(=O)C#CC3CC3)CC2)CC1=O 1011111158 CJKMZURPHRTROR-AWEZNQCLSA-N 317.389 -0.061 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2C(NC(=O)c3c[nH]c(C(N)=O)c3)[C@H]2C1 1013135323 OMOSVBMWLCHPNV-JEZHCXPESA-N 315.333 -0.540 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@]2(NC(=O)c3nnn(C)n3)CCC[C@H]12 1014390171 AMHMAXSIPHUOIY-BFVZDQMLSA-N 317.353 -0.377 30 20 DBED CC#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)CC[C@H]1NC(=O)NC1=O 1018246366 MVWUSIRFPSKRPU-FRRDWIJNSA-N 318.377 -0.327 30 20 DBED CS(=O)(=O)CC(=O)N1CC2(CCN(C(=O)C#CC3CC3)C2)C1 1018850406 NVPMSWATVOJADQ-UHFFFAOYSA-N 324.402 -0.495 30 20 DBED C=C(C)CN[C@H]1C[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)C1 1022973563 PNPBUNSQQJVJEY-AOOOYVTPSA-N 302.338 -0.156 30 20 DBED Cc1ccc(C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2O)nn1 1023644499 VCDFLFIFSWQOKN-ZIAGYGMSSA-N 314.345 -0.500 30 20 DBED C#CCN[C@@H]1CC[C@H]2CN(C(=O)Cn3nc(C)n(C)c3=O)C[C@H]21 1026408879 HDSNHWMFEGQXST-BFHYXJOUSA-N 317.393 -0.650 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)Cc3[nH]cnc3C)C2)C1=O 1031314376 RTJBSGKEZLXMBC-AWEZNQCLSA-N 317.393 -0.152 30 20 DBED C=CCN1CCC2(CCN(C(=O)CN3CCNC(=O)C3)CC2)C1 1035213539 KZISNPKCRXIJLU-UHFFFAOYSA-N 320.437 -0.081 30 20 DBED N#Cc1ccc(N2C[C@@H]3CCN(C(=O)Cn4cncn4)[C@@H]3C2)nn1 1040627587 UASOHTQNRRLCRD-WCQYABFASA-N 324.348 -0.323 30 20 DBED Cc1cnoc1C(=O)N1CC[C@@](O)(CNC(=O)[C@H](C)C#N)C1 1040759286 GWIUFCKWRASFLR-YMTOWFKASA-N 306.322 -0.164 30 20 DBED N#Cc1cncc(N2C[C@@H](O)[C@H](NC(=O)c3ccncc3)C2)n1 1040909433 HZPGZVYRGMPMHX-CHWSQXEVSA-N 310.317 -0.277 30 20 DBED Cc1nccc(N2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)n1 1040956061 AMSAUYYQSQNCCF-CHWSQXEVSA-N 312.333 -0.036 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)nn1 1040964790 ITVZVOWAILXVNR-CHWSQXEVSA-N 323.316 -0.472 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)CSCC#N)C1 1041568031 DPQMBSDYFLHVFG-UHFFFAOYSA-N 309.391 -0.264 30 20 DBED C#CCCCCC(=O)NCC1(O)CN(C(=O)Cc2cc[nH]n2)C1 1042658427 IOYOMBKPZQHQRW-UHFFFAOYSA-N 318.377 -0.165 30 20 DBED CCN(C)CCC(=O)N1CC(O)(CNC(=O)C#CC(C)C)C1 1042937454 HUAIJYIITQJESI-UHFFFAOYSA-N 309.410 -0.323 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)C=C2CCC2)C1 1043033109 QVNNASYCACGVSF-UHFFFAOYSA-N 306.362 -0.174 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)[C@H](F)CC)C1 1043040840 XYFZKDNGGKEBLN-LLVKDONJSA-N 300.330 -0.536 30 20 DBED C#CCCN1CC(N(C)C(=O)Cn2nc3n(c2=O)CCCC3)C1 1044149270 SCEVKORMTPTPFT-UHFFFAOYSA-N 317.393 -0.453 30 20 DBED C=C[C@H](C)[C@H](C)C(=O)NCC1(O)CN(C(=O)c2nc[nH]n2)C1 1044978807 AAIQLKSDTAYKRW-UWVGGRQHSA-N 307.354 -0.434 30 20 DBED CN(C)CCn1ccc(C(=O)N(C)[C@H]2CN(CC#N)C[C@@H]2O)n1 1047383860 KIDGJHKHQMEXBF-KBPBESRZSA-N 320.397 -0.915 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2nonc2C)C1 1049034335 DVNJLTNNDIRIQN-QWRGUYRKSA-N 308.338 -0.012 30 20 DBED C#CCOCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCCF)C1 1049220527 QROVPRBJYISYLO-STQMWFEESA-N 314.357 -0.194 30 20 DBED CC#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)CN1CC(=O)NC1=O 1049789952 IUFZTLQTSPKNGG-STQMWFEESA-N 318.377 -0.373 30 20 DBED CC#CCN1CCC2(CC1)CN(C(=O)[C@@H]1CN(C)C(=O)N1)C2 1050618247 UGDJKILNOIFFNO-ZDUSSCGKSA-N 304.394 -0.042 30 20 DBED C=C(C)CN1CCOC[C@H]1CNC(=O)c1cn(C)c(=O)cn1 1051034264 NEPRIJHJXADXKN-GFCCVEGCSA-N 306.366 -0.213 30 20 DBED C[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1CNC(=O)Cn1cncn1 1052554833 SICQJACNBIWPNP-JSGCOSHPSA-N 315.377 -0.098 30 20 DBED CCN1C[C@@H](C(=O)NC[C@@H]2CCC3(CN(CC#N)C3)O2)CC1=O 1053605901 DBZZHRPYRZQCIL-STQMWFEESA-N 320.393 -0.272 30 20 DBED C#CCCN1CC2(CC[C@@H](CNC(=O)[C@@H]3CCCNC3=O)O2)C1 1053613348 BLAGYPCINLSRRS-UONOGXRCSA-N 319.405 -0.115 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2COC3(C2)CN(CCO)C3)nn1 1053949699 NXPXVSHHEMFQIS-NSHDSACASA-N 307.354 -0.971 30 20 DBED O=C(N[C@]1(CO)CCCN(C(=O)C#CC2CC2)C1)[C@@H]1CCOC1 1055817956 UBMRYVDBCVSSNP-RHSMWYFYSA-N 320.389 -0.094 30 20 DBED N#Cc1nccnc1N1C[C@H]2C(NC(=O)[C@H]3COC(=O)N3)[C@@H]2C1 1056196079 YUOWJTURXAUXHU-NQMVMOMDSA-N 314.305 -0.993 30 20 DBED N#Cc1cnccc1N1C[C@@H]2C(NC(=O)Cn3nccn3)[C@H]2C1 1056315968 NNXWTXNOLHMBIP-RYUDHWBXSA-N 309.333 -0.204 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)COC 1056350228 HUQTWFGRHIUCNW-CHWSQXEVSA-N 321.377 -0.636 30 20 DBED N#Cc1cnc(N[C@@H]2CCN(C(=O)CCn3cnnn3)C2)cn1 1056686385 GKQMGMRXXOZLRL-SNVBAGLBSA-N 313.325 -0.562 30 20 DBED C=C1CC(C)(C(=O)NCCN(CCO)C(=O)CNC(C)=O)C1 1056816175 QHTZRVZEEBQLME-UHFFFAOYSA-N 311.382 -0.584 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)CCc1cnn(C)n1 1057172426 CRVZUQLDGZYVMJ-UHFFFAOYSA-N 323.397 -0.349 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)c1nocc1C 1057194437 COCCVWZAMNWTGX-UHFFFAOYSA-N 311.338 -0.264 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)Cc1ccc[nH]1 1057197952 IJLCZPLFKHDXPB-UHFFFAOYSA-N 309.366 -0.303 30 20 DBED C=C(C)CCC(=O)NCCN(CCO)C(=O)CCn1ccnn1 1057436426 SWEUKHNZNIIPGB-UHFFFAOYSA-N 323.397 -0.038 30 20 DBED C#CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)COCCC 1057583191 JHTAFEBZQSNQCR-ZDUSSCGKSA-N 314.382 -0.612 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(CCO)CCNC(=O)C1CC1 1057961282 PMZZCTYPDHLFNB-AWEZNQCLSA-N 307.394 -0.569 30 20 DBED Cn1cnc(C(=O)N[C@H]2CCCN(c3cncc(C#N)n3)C2)n1 1058154121 VGSFZMGBHFBSJL-JTQLQIEISA-N 312.337 -0.124 30 20 DBED N#Cc1nccnc1N1CC[C@H](NC(=O)C2CS(=O)(=O)C2)C1 1058456320 MAFFKANNACPWKN-JTQLQIEISA-N 321.362 -0.912 30 20 DBED C=CCCC(=O)N1CCOC[C@H]1CNC(=O)[C@H](C)NC(C)=O 1061241090 OLRCXBWBRMDYHM-WCQYABFASA-N 311.382 -0.179 30 20 DBED C=C(C)C(C)(C)C(=O)NC[C@@H]1COCCN1C(=O)CC(N)=O 1061750541 YJYSGGCHCZCCLE-LLVKDONJSA-N 311.382 -0.192 30 20 DBED CN1CCO[C@@H](C(=O)NC2(CNC(=O)C#CC3CC3)CCC2)C1 1062974334 XFZCAZZHNUDBNS-CQSZACIVSA-N 319.405 -0.115 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(NC(=O)[C@@H](C)NC(C)=O)CCC1 1063041665 BDHBRBOZMWGJJA-VXGBXAGGSA-N 323.393 -0.296 30 20 DBED N#Cc1ccc(N2CCO[C@@H](CNC(=O)c3cocn3)C2)nn1 1063618664 DSWIYACFWFFOAF-NSHDSACASA-N 314.305 -0.029 30 20 DBED N#Cc1cnc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)c2ccc(O)nn2)cn1 1064216108 KWNGTSGWKZEJHA-FDLBOYPASA-N 323.316 -0.149 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)CCN(C)C)CCO1 1065571916 FEVZWHJYNQYSTJ-AWEZNQCLSA-N 309.410 -0.059 30 20 DBED C=CCOCC(=O)N[C@H]1CCCN(C(=O)[C@H]2CNC(=O)N2)CC1 1065988001 WHXBKBWRWUTPHN-NWDGAFQWSA-N 324.381 -0.632 30 20 DBED CN(CCCN(C)C(=O)c1cc(C#N)c[nH]1)C(=O)CC(N)=O 1067045469 GYBJWJXXVQDNPI-UHFFFAOYSA-N 305.338 -0.318 30 20 DBED N#Cc1nccc(N2C[C@H](CNC(=O)c3ccccn3)[C@@H](O)C2)n1 1067643445 WNRSGAYVNOFITO-AAEUAGOBSA-N 324.344 -0.030 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCOC2(CN(C(=O)[C@H](C)OC)C2)C1 1068397064 XDJBHLNRDCGJER-STQMWFEESA-N 324.377 -0.501 30 20 DBED CCN(CC)CC(=O)N[C@@H]1COC2(C1)CN(C(=O)[C@H](C)C#N)C2 1068875307 OXXFRESTMWVPGU-OLZOCXBDSA-N 322.409 -0.026 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1COC2(C1)CN(C(=O)Cc1ccon1)C2 1069002300 DGDQSMGADCTICJ-JQWIXIFHSA-N 318.333 -0.137 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)[C@H](C)CC(N)=O)CCOCC1 1070234302 SAJXJNZSZKEXMV-MNOVXSKESA-N 324.381 -0.561 30 20 DBED N#Cc1ccc(C(=O)N2CCC[C@@H](NC(=O)CC(N)=O)C2)[nH]1 1070623688 ZSBAJMZQZWUOQR-SNVBAGLBSA-N 303.322 -0.517 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)[C@@]4(C)CNC(=O)C4)C[C@@]3(C1)O2 1070828194 KTVTVIHJRDGTCY-BQGCOEIASA-N 317.389 -0.553 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)[C@@H]4CCN(C)C4=O)C[C@@]3(C1)O2 1070840229 SULXTWNTEYSIPU-VMUDFCTBSA-N 317.389 -0.600 30 20 DBED N#CCN1C[C@H]2C[C@H]3CN(C(=O)Cn4ccnc4)C[C@@]3(C1)O2 1070897909 XGZBYEQTDSNAHN-GZBFAFLISA-N 301.350 -0.292 30 20 DBED N#CCN1CCNC(=O)CCN(C(=O)[C@@H]2CC2(F)F)CC1 1070962334 PEKWHOFQSDJZIM-JTQLQIEISA-N 300.309 -0.184 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(C(=O)CNC(C)=O)C[C@H]1C 1071507600 YYPZSKXAEIAJSO-DGCLKSJQSA-N 311.382 -0.322 30 20 DBED C#CCOCCC(=O)NC1(C)CCN(C(=O)CC(=O)NC)CC1 1072973927 HYCRZQKZVKAVCO-UHFFFAOYSA-N 323.393 -0.340 30 20 DBED CC#CCN1CCO[C@@H]2CCN(C(=O)Cn3cnnc3O)C[C@@H]21 1074218665 CCZPXFVUKGZTNM-QWHCGFSZSA-N 319.365 -0.691 30 20 DBED CC(C)C#CC(=O)N1CCC(O)(CNC(=O)c2cnon2)CC1 1074579292 BFEISVAINPKTPU-UHFFFAOYSA-N 320.349 -0.188 30 20 DBED Cc1nn[nH]c1C(=O)N1CCC(O)(CNC(=O)[C@@H](C)C#N)CC1 1074658378 KMPHJBKTJSXHKC-VIFPVBQESA-N 320.353 -0.644 30 20 DBED CCCN(C)CC(=O)NCC1(O)CCN(C(=O)[C@H](C)C#N)CC1 1074705225 OZRZIRSAABQAQM-CYBMUJFWSA-N 324.425 -0.042 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)c2cn(C)nc2COC)C1 1077255801 QACGGMVQELBBLQ-TZMCWYRMSA-N 306.366 -0.635 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(C(N)=O)c2)C1 1078183320 LNRJKHNNCVVPFD-CHWSQXEVSA-N 306.366 -0.145 30 20 DBED Cn1nc(C(=O)N[C@H]2C[C@H](NCC#N)C23CCC3)ccc1=O 1078800127 IZZOEDGVDJXFNK-RYUDHWBXSA-N 301.350 -0.066 30 20 DBED C#CCOCCC(=O)N(CC)C1CN(C(=O)C2=COCCO2)C1 1079773398 JEWFMBVZPQCZFI-UHFFFAOYSA-N 322.361 -0.026 30 20 DBED C=CCOCC(=O)N1CC(N(CC)C(=O)[C@@H]2CCC(=O)N2)C1 1080184191 UTIYQJNTRFIKNM-LBPRGKRZSA-N 309.366 -0.473 30 20 DBED C=CCN1C[C@@H](NC(=O)c2c[nH]nc2S(N)(=O)=O)[C@H](C)C1 1080413553 CTXXQYSLCHAMGE-PSASIEDQSA-N 313.383 -0.707 30 20 DBED CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)[C@H]2COCCN2CC)C1 1080418675 WYFNPOCCAPXXPY-GXTWGEPZSA-N 322.409 -0.074 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@H](CNC(=O)CCCOC)C1 1081302662 MUWOXLNATINQBR-CHWSQXEVSA-N 314.382 -0.449 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)CCn2cncn2)C[C@@H]1O 1081333838 YHOPIKKZTRDGLK-OLZOCXBDSA-N 321.381 -0.430 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)c2n[nH]cc2F)C[C@@H]1O 1081465453 HJPXUVTUYSCVHI-PWSUYJOCSA-N 322.340 -0.243 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2n[nH]cc2F)C1 1081744744 RWDWPEVXXHVTNA-ZYHUDNBSSA-N 322.340 -0.243 30 20 DBED C=CCN1C[C@@H](NC(=O)c2cncc(C(N)=O)c2)[C@H](OC)C1 1082375048 AZWQGXOQKMYGKH-CHWSQXEVSA-N 304.350 -0.205 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)c2cn(CCOC)nn2)C1 1083452987 KYFIVFRJRWBEGM-YPMHNXCESA-N 309.370 -0.725 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2c[nH]nc2-c2ccoc2)C1 1083665139 QUGUZBLDCBOVHB-NEPJUHHUSA-N 301.306 -0.032 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CCN(CCN3C(=O)CCC3=O)C[C@H]21 1084232837 JRUZZCVNXOKFHM-YNEHKIRRSA-N 318.377 -0.172 30 20 DBED N#CCN1CC[C@@H]2CN(C(=O)Cc3ccc(C(N)=O)nc3)[C@@H]2C1 1084451740 BHJFTCOHORBZLY-TZMCWYRMSA-N 313.361 -0.221 30 20 DBED C=CCN1CC[C@@H]2CN(C(=O)CN3C(=O)C(=O)N(C)C3=O)[C@@H]2C1 1084699203 ARHQWKCTNGYULN-GHMZBOCLSA-N 320.349 -0.874 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)[C@H]3CCS(=O)(=O)C3)C[C@@H]2C1 1088032188 DKLCSPYLARTMIW-RDBSUJKOSA-N 310.419 -0.165 30 20 DBED C=C(C)CCN1CC[C@@H](NC(=O)CN2CCOCC2)[C@@H](O)C1 1090204103 MTUJIBRJLABMCV-CABCVRRESA-N 311.426 -0.164 30 20 DBED CCN(C)CCC(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1O 1090473892 XYTCCKZGRFTTKX-CHWSQXEVSA-N 318.381 -0.644 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cc(C)c(C(N)=O)cn2)[C@H](O)C1 1090571718 BQKDGIHLYSJZPP-GXTWGEPZSA-N 316.361 -0.713 30 20 DBED C#CCN1CC[C@H](NC(=O)Cn2c(C)cc(C)nc2=O)[C@@H](O)C1 1090674419 UXARHCLTOWQHIB-KBPBESRZSA-N 318.377 -0.955 30 20 DBED CNC(=O)NCC(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@H]1C 1090839105 YFGVAKZQPGLTIM-ZYHUDNBSSA-N 316.365 -0.177 30 20 DBED C#CCN1C[C@@H]2CN(C(=O)c3ccc(=O)n(C)n3)C[C@]2(C)C1 1092255447 NBAGHRKIPJLHAJ-WBMJQRKESA-N 300.362 -0.193 30 20 DBED C=CCN1CC(n2cc(CNC(=O)c3cc[n+]([O-])cc3)nn2)C1 1094274942 WBTKMTPYYSAWNL-UHFFFAOYSA-N 314.349 -0.116 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)c3cc[nH]c3C)CC2=O)C1 1094721349 AFBKAPXLOOVYSO-LBPRGKRZSA-N 300.362 -0.029 30 20 DBED Cc1n[nH]cc1C(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1 1094768753 WQMZRAMSUJZALV-SNVBAGLBSA-N 302.338 -0.743 30 20 DBED Cc1cnoc1C(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1 1094804503 VCCUCKUETDSISS-SNVBAGLBSA-N 303.322 -0.479 30 20 DBED CC#CCN1CC(N2C[C@H](NC(=O)c3nonc3C)CC2=O)C1 1094820306 HITXQIJHKPLCAQ-LLVKDONJSA-N 317.349 -0.584 30 20 DBED CN(C)C(=O)CC(=O)N1CCCN(c2nccnc2C#N)CC1 1095207788 XMRBKTRICHHVEN-UHFFFAOYSA-N 316.365 -0.135 30 20 DBED CC(=O)NCC(=O)N1CCC[C@H](Nc2cnc(C#N)cn2)C1 1095271781 GBAXHOJFQYBIJJ-NSHDSACASA-N 302.338 -0.113 30 20 DBED CC(=O)N(C)CC(=O)N[C@H]1CCN(c2nccnc2C#N)C1 1096328824 JTRNXDRKDNEFJY-NSHDSACASA-N 302.338 -0.479 30 20 DBED Cc1cc(C#N)nc(N2CC[C@@H](NC(=O)C(C)(C)C(N)=O)C2)n1 1096444321 FYQLTKATBXUQCC-SNVBAGLBSA-N 316.365 -0.137 30 20 DBED CC[C@@H](NC(C)=O)C(=O)N[C@H]1CCN(c2cnc(C#N)cn2)C1 1096484982 DMEADZVXSRWOEB-WCQYABFASA-N 316.365 -0.042 30 20 DBED N#Cc1nc(=N[C@H](CNC(=O)[C@@H]2CCNC2=O)C2CC2)cc[nH]1 1096784279 ZNBINMGJZFCHGO-GHMZBOCLSA-N 314.349 -0.787 30 20 DBED N#Cc1nc(=N[C@H]2C[C@@H](NC(=O)CO[C@H]3CCOC3)C2)cc[nH]1 1097224153 FNXMAUNZAJTNBV-TUAOUCFPSA-N 317.349 -0.365 30 20 DBED COCCOCCC(=O)NC[C@@H](C)N=c1cc[nH]c(C#N)n1 1097909405 DJCHWDGOBWJLIR-LLVKDONJSA-N 307.354 -0.260 30 20 DBED C[C@H](CNC(=O)C1CC(=O)NC(=O)C1)Nc1nccnc1C#N 1097937364 URWVQMLQEYBGNX-MRVPVSSYSA-N 316.321 -0.682 30 20 DBED C#CCN(CCO)C1CCN(C(=O)c2coc(C(N)=O)c2)CC1 1098440594 GEGSYTVYMDYJPP-UHFFFAOYSA-N 319.361 -0.089 30 20 DBED N#CCN(CCO)C1CCN(C(=O)CCCCC(N)=O)CC1 1098529043 USXMKWVJCBVCJW-UHFFFAOYSA-N 310.398 -0.159 30 20 DBED CN(c1ccnc(C#N)n1)[C@@H]1CCCN(C(=O)CNC(N)=O)C1 1098681769 WTOHNTHQCDRLID-SNVBAGLBSA-N 317.353 -0.556 30 20 DBED C[C@@H](CCNC(=O)[C@@H]1CCNC1=O)Nc1nccnc1C#N 1099617416 UWOPSIPUADNKDS-UWVGGRQHSA-N 302.338 -0.209 30 20 DBED CCn1nccc1C(=O)N[C@@H]1CCN(CC#CCOC)C[C@@H]1O 1099787983 ADFIGJMZKCIXRG-HIFRSBDPSA-N 320.393 -0.282 30 20 DBED C=CC(C)(C)C(=O)N[C@H]1CCN(Cc2nnnn2C)C[C@@H]1O 1099945028 TUDPEHZQAWGZRO-QWRGUYRKSA-N 308.386 -0.526 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)[C@@H]2C[C@@H]3C[C@@H]3C2)[C@@H](O)C1 1099952153 PCTCLOJTJNDAOQ-FQKPHLNHSA-N 321.421 -0.114 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)C2(CC)CCC2)[C@H](O)C1 1099952371 SMFVIPCXMGPCJJ-UONOGXRCSA-N 321.421 -0.133 30 20 DBED C=CCN1CC[C@H](NC(=O)CNC(=O)c2cccnc2)[C@H](O)C1 1100010499 IEKGAAFOPQZRRP-UONOGXRCSA-N 318.377 -0.451 30 20 DBED CN(CCNC(=O)[C@@]1(C)CNC(=O)C1)c1ccnc(C#N)n1 1100246807 NEMNTZZEUKEIFP-CQSZACIVSA-N 302.338 -0.573 30 20 DBED COCC#CCNC1CC(CNC(=O)C2CN(C(C)=O)C2)C1 1100272971 ZCEOLRLRBRUKCE-UHFFFAOYSA-N 307.394 -0.401 30 20 DBED Cc1cc(C#N)nc(N(C)CCNC(=O)[C@]2(C)CCC(=O)N2)n1 1100309928 UEKQKPLTXIJKKV-HNNXBMFYSA-N 316.365 -0.122 30 20 DBED C#CCCNC1CC(CNC(=O)CCCS(N)(=O)=O)C1 1100624355 HMQASGMZJBLVLC-UHFFFAOYSA-N 301.412 -0.437 30 20 DBED CC(=O)N[C@H](C)C(=O)NCCN(c1ccc(C#N)nn1)C1CC1 1101274271 XQXOLWXBBFXDBQ-SNVBAGLBSA-N 316.365 -0.042 30 20 DBED N#Cc1ccc(N(CCNC(=O)[C@@H]2CCC(=O)N2)C2CC2)nn1 1101368434 TUACHICDRFHSQW-LBPRGKRZSA-N 314.349 -0.288 30 20 DBED CN(CCNc1ccc(C#N)nn1)C(=O)Cn1cnnc1O 1101553160 FMUSAIQDSLEZJS-UHFFFAOYSA-N 302.298 -0.784 30 20 DBED COCC#CCN1C[C@@H](C)[C@H](CNC(=O)CS(C)(=O)=O)C1 1101783095 FWKUAHHLVHMWHP-CHWSQXEVSA-N 316.423 -0.635 30 20 DBED CCN1CCOC[C@@H]1C(=O)N(C)CCNc1nccnc1C#N 1101844506 DOFCUSIZYWURQB-CYBMUJFWSA-N 318.381 -0.061 30 20 DBED CN(CCN=c1cc[nH]cc1C#N)C(=O)c1ccn2nnnc2c1 1101890053 DYQNAMDYWLYYOV-UHFFFAOYSA-N 322.332 -0.003 30 20 DBED CCN(C(=O)CC(=O)NC)[C@@H]1CCN(c2ccnc(C#N)n2)C1 1102795526 HABJLZMOOCTCJH-LLVKDONJSA-N 316.365 -0.088 30 20 DBED CNC(=O)NCC(=O)N1CCC[C@@H]1CNc1cnc(C#N)cn1 1103824512 KISADLJUGHEDSS-LLVKDONJSA-N 317.353 -0.320 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)C(=O)NCC1CC1 1104663594 PUEDWOIUDNCPOJ-JTQLQIEISA-N 316.365 -0.445 30 20 DBED C#CCCNCC[C@@H]1CN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C[C@H]1C 1104735969 DYFQOWWSMKEXCE-UPJWGTAASA-N 320.393 -0.318 30 20 DBED C#CCNC(=O)CN[C@@H]1C[C@@]2(C[C@H]1O)CN(C(C)=O)[C@H]2C(C)C 1105581554 JVQYDWRUBKGZCA-TXCZRRACSA-N 321.421 -0.278 30 20 DBED N#Cc1cncc(NC[C@H]2CCC[C@@H]2NC(=O)CC(N)=O)n1 1105652015 OUAVLIFEVSZNDO-KOLCDFICSA-N 302.338 -0.080 30 20 DBED N#Cc1nccnc1NC[C@@H](O)CNC(=O)c1cnns1 1105723034 FRORVXWEXNGGOV-SSDOTTSWSA-N 305.323 -0.597 30 20 DBED C[C@H](C(=O)NC[C@@H](O)CNc1ccc(C#N)nn1)n1cccn1 1105766747 DXLUSHJQRRETFD-PWSUYJOCSA-N 315.337 -0.305 30 20 DBED Cc1ncoc1C(=O)NC[C@H](O)CNc1cncc(C#N)n1 1105808022 IOTPJVYBLIQRDA-SNVBAGLBSA-N 302.294 -0.153 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H](O)CNc2ccc(C#N)nn2)c1 1105809137 WUUYWRSZJYJTRN-LLVKDONJSA-N 311.305 -0.249 30 20 DBED CN1CC[C@@H](CC(=O)NC[C@@H](O)CN=c2cc[nH]c(C#N)n2)C1 1105913784 IZWQLIPUFCQDIU-RYUDHWBXSA-N 318.381 -0.999 30 20 DBED CCC(=O)NCC(=O)N1C[C@@H](C)[C@H](CNCC#CCOC)C1 1105948186 BMOXAAIZFANZAR-ZIAGYGMSSA-N 309.410 -0.154 30 20 DBED N#Cc1cncc(NC[C@@H](O)CNC(=O)c2n[nH]cc2F)n1 1106083232 KBNUQEOIIOGNIX-MRVPVSSYSA-N 305.273 -0.587 30 20 DBED C#CCOCCC(=O)N1C[C@@H](C)[C@H](CNC[C@@H](O)COC)C1 1106114712 HATRZFQLAKFKSF-RBSFLKMASA-N 312.410 -0.282 30 20 DBED C[C@@H](CCNc1cnc(C#N)cn1)NC(=O)[C@@H]1CNC(=O)N1 1106543779 SHOMKMRQWFFUPM-WPRPVWTQSA-N 303.326 -0.664 30 20 DBED N#Cc1nc(=NC/C=C\CNC(=O)[C@@H]2CCNC(=O)C2)cc[nH]1 1107122316 RZMKSEHFRVAWKQ-RFMOXSJOSA-N 314.349 -0.619 30 20 DBED Cn1ccc(CC(=O)NC/C=C/CN=c2cc[nH]c(C#N)n2)n1 1107165207 OEKRVERQMKLPGR-NSCUHMNNSA-N 311.349 -0.169 30 20 DBED C[C@H](NC(N)=O)C(=O)NC/C=C/CNc1nccnc1C#N 1107168314 DPTGBIGVLFTXEP-HPOULIHZSA-N 303.326 -0.511 30 20 DBED CNC(=O)NCC(=O)NC/C=C\CNc1nccnc1C#N 1107571524 GJEAUSRWALXDFO-IHWYPQMZSA-N 303.326 -0.638 30 20 DBED C[C@@H](CNc1ccc(C#N)nn1)NC(=O)CNC(=O)C1CC1 1108264509 HACCOTCSVKXVHX-VIFPVBQESA-N 302.338 -0.209 30 20 DBED C=CCCC(=O)N1CCN(CCOC)[C@H]2CS(=O)(=O)C[C@H]21 1108462317 NJMDRRSEOOZGMT-QWHCGFSZSA-N 316.423 -0.091 30 20 DBED N#CCN1CC(N2C[C@H](NC(=O)CC[C@H]3CCCO3)CC2=O)C1 1108506738 YVHHACHULCRXFY-TZMCWYRMSA-N 320.393 -0.130 30 20 DBED C#CCCCC(=O)N[C@H]1CC(=O)N(C2CN([C@H](C)C(N)=O)C2)C1 1108538553 KHTCKGUTALDHCH-NEPJUHHUSA-N 320.393 -0.935 30 20 DBED C#CCCN1CC(N2C[C@H](NC(=O)CN(C)C(C)C)CC2=O)C1 1108592601 ZAHOBFVJKPYUJK-CQSZACIVSA-N 320.437 -0.249 30 20 DBED CNS(=O)(=O)CCC(=O)N1C[C@H]2C[C@H](NCC#N)C[C@H]1C2 1108689263 WQXAGJVDKVINTM-SDDRHHMPSA-N 314.411 -0.582 30 20 DBED C[C@@H](CN(C)c1ccnc(C#N)n1)NC(=O)c1nccnc1N 1108885676 JJFVUXXJXATZBL-VIFPVBQESA-N 312.337 -0.025 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)CN(C)c1ccnc(C)n1 1108940825 KVRBVLRZOKULBY-LLVKDONJSA-N 303.366 -0.135 30 20 DBED C[C@H](CN(C)c1cncc(C#N)n1)NC(=O)C[C@@H]1CCC(=O)N1 1109008511 QLGOWQUVVQSYOL-MNOVXSKESA-N 316.365 -0.042 30 20 DBED CS(=O)(=O)CC(=O)N[C@@H]1[C@H]2C[C@H]1N(c1cnc(C#N)cn1)C2 1109692909 HXUNAYLEUAFGCX-IYYTYJHQSA-N 321.362 -0.914 30 20 DBED Cc1cc(C#N)nc(NC2(CNC(=O)CCNC(N)=O)CC2)n1 1110143070 KFVYMTXIWHXEJM-UHFFFAOYSA-N 317.353 -0.224 30 20 DBED N#Cc1nccc(NC2(CNC(=O)[C@H]3CCNC3=O)CC2)n1 1110301635 LSBLNKFBTXISAK-VIFPVBQESA-N 300.322 -0.455 30 20 DBED CO[C@H](C)C(=O)N[C@]1(CO)CCCN(c2ccc(C#N)nn2)C1 1111336263 MAVFPYAIHMJDFK-IAQYHMDHSA-N 319.365 -0.169 30 20 DBED N#Cc1c[nH]ccc1=NC1(CNC(=O)Cn2ncnn2)CCC1 1111851011 CWGSFWUSCNIOGY-UHFFFAOYSA-N 312.337 -0.487 30 20 DBED N#Cc1cncc(N2CCC[C@@H](NC(=O)CC(N)=O)CC2)n1 1111980126 SGOPZGVZFYBPCB-SNVBAGLBSA-N 302.338 -0.301 30 20 DBED C=C(C)CCN1CCN(C(=O)CNS(=O)(=O)NC)CC1 1113156605 NVWLPWIOEKSKCT-UHFFFAOYSA-N 304.416 -0.849 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)[C@@H]2[C@H]3COC[C@H]32)CC1 1113226295 VRMSHMRJWLPSAK-IGQOVBAYSA-N 307.394 -0.286 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)c3ccns3)[C@@H]2C1 1114351761 QZDYDZKXSQHNCF-HBNTYKKESA-N 318.402 -0.059 30 20 DBED C[C@@H](CCCNc1cnc(C#N)cn1)NC(=O)Cn1ncnn1 1115012041 FBXBPZNVGHMHGG-JTQLQIEISA-N 315.341 -0.268 30 20 DBED CC#CCN1C[C@H]2[C@H](NC(=O)CCCN3C(=O)CNC3=O)[C@H]2C1 1115218643 HSSRLIQUCDWYGU-JYAVWHMHSA-N 318.377 -0.612 30 20 DBED COC(=O)CN(CC#N)C(=O)CS[C@@H]1CCS(=O)(=O)C1 1116106119 SYDUXRNVZQYBPN-SECBINFHSA-N 320.392 -0.568 30 20 DBED CC1(C)C[C@@H](NC(=O)C(=O)N2CC[C@](O)(CC#N)C2)CCO1 1118151943 RJVAOZFQKBBHGP-XHDPSFHLSA-N 309.366 -0.063 30 20 DBED N#Cc1cccnc1N[C@@H](CO)CNC(=O)C1=COCCO1 1121003690 MHMVSSFUVLFFNV-LLVKDONJSA-N 304.306 -0.270 30 20 DBED N#Cc1nccnc1N[C@@H](CO)CNC(=O)[C@@H]1CCCOC1 1121196815 CGGUYDKBTMDRNA-GHMZBOCLSA-N 305.338 -0.336 30 20 DBED Cn1cnc(C(=O)NC[C@H](CO)Nc2ncccc2C#N)c1 1121295804 NAJMOFBMQNJRJH-LLVKDONJSA-N 300.322 -0.110 30 20 DBED N#Cc1cncc(N[C@H](CO)CNC(=O)C[C@H]2COC(=O)C2)n1 1121302931 JLPXKZFRMXOQPS-KOLCDFICSA-N 319.321 -0.810 30 20 DBED Cc1cc(=N[C@@H](CO)CNC(=O)c2nc[nH]n2)c(C#N)c[nH]1 1121892520 BICSPUJKYJIEPS-SNVBAGLBSA-N 301.310 -0.996 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)C(=O)NCC2CC2)nc1 1121926833 GFHQQSQNRQQOBO-LBPRGKRZSA-N 317.349 -0.632 30 20 DBED N#Cc1nc(=N[C@@H](CO)CNC(=O)CCn2cccc2)cc[nH]1 1121977155 MBCVYLBOJRUGOT-GFCCVEGCSA-N 314.349 -0.449 30 20 DBED C#Cc1cncc(C(=O)NC[C@@H](CO)Nc2cncc(C#N)n2)c1 1122508838 SWAYKRZSSLSEMX-AWEZNQCLSA-N 322.328 -0.073 30 20 DBED Cc1ncc(C(=O)N(C)C[C@H](O)CNc2cncc(C#N)n2)[nH]1 1124206629 CBXBVPNZWHABEG-LLVKDONJSA-N 315.337 -0.075 30 20 DBED CN(C[C@H](O)CNc1ncccc1C#N)C(=O)c1cn(C)nn1 1124296259 ZNZXHQBFVWKJCN-LLVKDONJSA-N 315.337 -0.373 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2 1124986929 ZIRZCPXLNDLGAD-IJLUTSLNSA-N 324.381 -0.729 30 20 DBED Cc1cc(=NCCOCCN(C)C(=O)CC(N)=O)c(C#N)c[nH]1 1127247612 HAUXRPUSFYLJAV-UHFFFAOYSA-N 319.365 -0.554 30 20 DBED C#CCOCCC(=O)NCc1cnn2c1CN(CCCO)CC2 1128362743 KZWIVQVIOKKAFA-UHFFFAOYSA-N 320.393 -0.263 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@@H](F)CN(CC)CC 1128534116 VXZXSAMCKWYGFJ-LBPRGKRZSA-N 300.378 -0.879 30 20 DBED C=CCCCCCN1C[C@H](n2ccnn2)[C@H](NC(=O)C(N)=O)C1 1129209971 MAMAVNANQWZFCD-OLZOCXBDSA-N 320.397 -0.149 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)Cc1cc(C2CC2)no1 1129256753 SUZDAEBPRYORFK-NSHDSACASA-N 318.377 -0.062 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)[C@@H](C2CC2)N(C)C)C1=O 1129443042 GXEFSQNEOKCPEZ-ZIAGYGMSSA-N 308.426 -0.181 30 20 DBED CNC(=O)NCCC(=O)N1C[C@@H](C)O[C@@]2(CCN(CC#N)C2)C1 1131657125 FKNOLLRLZAVCFM-IUODEOHRSA-N 323.397 -0.479 30 20 DBED C=C(Br)CNCCNC(=O)c1c[nH]c(=O)cn1 1133013604 QNRMNGYRYPCDCX-UHFFFAOYSA-N 301.144 -0.002 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)Cn1cccn1 1133675728 UWMHMSKHJGLDSN-QWHCGFSZSA-N 305.382 -0.495 30 20 DBED C#CCCN[C@H](C)C[C@H](C)NC(=O)Cn1ccc(=O)n(C)c1=O 1134541754 WNEXOBWTYSAGIW-OLZOCXBDSA-N 320.393 -0.557 30 20 DBED C#CCCN[C@@H](C)C[C@@H](C)NC(=O)CNC(=O)CNC(C)=O 1134769039 IGXUIQQOLYJSQS-NWDGAFQWSA-N 310.398 -0.865 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)c2cc(COC)on2)C1=O 1134913330 PJTQNYZROVFVQX-GFCCVEGCSA-N 322.365 -0.073 30 20 DBED C#CCN[C@H](C)C[C@@H](C)NC(=O)c1nc(C)n(-c2nc[nH]n2)n1 1135139631 HXYKJDRNNCRMBH-NXEZZACHSA-N 316.369 -0.186 30 20 DBED C[C@@H](C[C@H](C)NC(=O)c1ncccn1)NCC(=O)NCC#N 1135723752 DAALMZWKUAZPHV-QWRGUYRKSA-N 304.354 -0.397 30 20 DBED COCC#CCN1CCCO[C@H](CNC(=O)c2ncn(C)n2)C1 1149652681 DMOYWKKXPKBFJH-CYBMUJFWSA-N 321.381 -0.714 30 20 DBED C=CCN1CCCO[C@@H](CNC(=O)CN2CCCNC2=O)C1 1149946966 RQRRFEWFWORWJL-ZDUSSCGKSA-N 310.398 -0.205 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)CS(=O)(=O)C(C)C)C1 1150731318 HJHQUMIFXNYTHP-CYBMUJFWSA-N 316.423 -0.350 30 20 DBED COCCC1(NC(=O)[C@@H]2CNC(=O)N2)CCN(CC#N)CC1 1151281779 QNRRWRWOQIFHDY-NSHDSACASA-N 309.370 -0.821 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@H](C)N(CC)CC(=O)NC 1153864101 BASQUUHJIWPMRC-KGLIPLIRSA-N 308.426 -0.343 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)C[C@H]1CCNC1=O 1159809918 WKVLJZAXAPYQTF-VXGBXAGGSA-N 310.398 -0.701 30 20 DBED CNC(=O)NC(=O)[C@@H](C)NCC1(CCNC(=O)[C@H](C)C#N)CC1 1163840713 JNMYTVZLNKKXML-GHMZBOCLSA-N 323.397 -0.134 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)c1c(C)cnn1C 1164202116 XTTJMWFJSYFDJQ-LBPRGKRZSA-N 305.382 -0.424 30 20 DBED C#CCNCCCC[C@@H](C)NC(=O)Cn1ccc(O)nc1=O 1171703791 UJLLYGHQOSBUDB-GFCCVEGCSA-N 306.366 -0.153 30 20 DBED COCC#CCN1CCO[C@H]2CCN(C(=O)CCN(C)C)C[C@@H]21 1177081556 QXMIIOWAPIIBOR-HOTGVXAUSA-N 323.437 -0.110 30 20 DBED C=CCO[C@@H](C)C(=O)NCCCNC[C@@H](O)COCCOC 1177273103 HQPXGPVKJHDWEN-UONOGXRCSA-N 318.414 -0.303 30 20 DBED C[C@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)CCc1cn[nH]c1 1179685645 GUABKJJVWYKSKA-AAEUAGOBSA-N 318.381 -0.439 30 20 DBED N#CCNC(=O)CN[C@@H]1CCN(C(=O)c2ncccc2O)C1 1182157321 XWNPJEAGCQRMDK-SNVBAGLBSA-N 303.322 -0.769 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H](NCC(=O)NC(N)=O)C1 1182670246 MEGOGVQEWNVMGL-UTUOFQBUSA-N 324.381 -0.647 30 20 DBED C#CCNC[C@H]1CN(C(=O)c2cn(C)nn2)CC12CCOCC2 1186367642 BEFQCPIXUPEFEY-ZDUSSCGKSA-N 317.393 -0.093 30 20 DBED Cn1nnnc1CN1C[C@@H]2CCN(C(=O)CSCC#N)[C@@H]2C1 1186907198 CYYIQYVNWQHISP-WDEREUQCSA-N 321.410 -0.500 30 20 DBED C=CCOCC(=O)N1CC[C@H]2CN(CCN3CCNC3=O)C[C@H]21 1187320292 OUJUTIYWNJHOGV-UONOGXRCSA-N 322.409 -0.253 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)[C@H]2CCc3nncn3C2)C1 1188072016 DBRDZRHRYFPCLO-UONOGXRCSA-N 317.393 -0.319 30 20 DBED C=CCOCCCC(=O)N[C@@H]1CN(C[C@@H](O)COC)C[C@H]1O 1192053583 AJQGFVJDMDWZFL-MGPQQGTHSA-N 316.398 -0.862 30 20 DBED COCC#CCN(C)[C@H]1CCN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 1192378165 TUDKSYJUWSSHEM-ZNMIVQPWSA-N 321.421 -0.107 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2conc2C)C[C@H]1O 1192890757 CCNSVDFLAGTSHN-IACUBPJLSA-N 307.350 -0.317 30 20 DBED CC#CCN(C)[C@H]1CCN(C(=O)CC[C@@H]2NC(=O)NC2=O)C1 1193907376 YHQXNXBHIJQWOS-RYUDHWBXSA-N 306.366 -0.469 30 20 DBED COCC#CCN(C)[C@@H]1CCN(C(=O)C[C@@H]2CC(=O)NC2=O)C1 1194542948 AJOFDMHOSDTBTK-QWHCGFSZSA-N 321.377 -0.778 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H](C)CC(=C)C)C1 1195531755 IVXDINZOHLZVMB-MGPQQGTHSA-N 307.394 -0.501 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)CNC(=O)c2cccnc2)C1 1196333130 HVXFTKLXFZQUFB-CHWSQXEVSA-N 304.350 -0.841 30 20 DBED CCN1CCO[C@H](C(=O)N2CCCN(CC#CCOC)CC2)C1 1198190321 AOSLMCGCAYEGEW-INIZCTEOSA-N 323.437 -0.109 30 20 DBED C[C@@H](NC[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)CCCO1)C(N)=O 1200299331 JWGZUSKJEQSJOK-ZWNOBZJWSA-N 319.365 -0.419 30 20 DBED Cc1nnc(CC(=O)N2CCC(NCC(=O)NCC#N)CC2)o1 1200363396 KQOJRFCPOSBOTQ-UHFFFAOYSA-N 320.353 -0.859 30 20 DBED CNC(=O)NC(=O)CNC1CCN(C(=O)C#CC(C)C)CC1 1200448934 UXSULJYHAXDPRP-UHFFFAOYSA-N 308.382 -0.318 30 20 DBED C#CCNC[C@@H]1CN(C(=O)CN2CCCNC2=O)CCCO1 1200882093 ZWNKHFQHRNUCOH-CYBMUJFWSA-N 308.382 -0.758 30 20 DBED C=C(C)CNC[C@@H]1CN(C(=O)[C@H]2CN(C)C(=O)N2)CCCO1 1201154050 BXXOOPDZGMVAFT-CHWSQXEVSA-N 310.398 -0.207 30 20 DBED CN1CC[C@@H](C(=O)N2CCC(NCC(=O)NCC#N)CC2)C1 1203692074 DARCUGWDQPYGKD-GFCCVEGCSA-N 307.398 -0.842 30 20 DBED C#CCNC(=O)CC(=O)N1CCC(CN[C@H](C)COC)CC1 1205057380 ZYUIQTWCRKNNKO-CYBMUJFWSA-N 309.410 -0.011 30 20 DBED N#CCN[C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1c1cccc(F)c1 1205360514 BVJIMBNPRSCGAO-QWHCGFSZSA-N 319.340 -0.098 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)c1ncccc1O 1206892887 NDWNXVDNMDZGLI-GHMZBOCLSA-N 317.349 -0.523 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H](NCCNS(C)(=O)=O)C1 1207694028 SCNRNWWZQJFTDB-QWRGUYRKSA-N 302.400 -0.724 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCCN(C(=O)c2cnn(C)n2)C1 1210117474 ZOQQAJYYMSIOAU-NEPJUHHUSA-N 318.381 -0.853 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1C[C@@H]1C 1218439565 PHQTUUUMFUULMS-XDQVBPFNSA-N 305.378 -0.697 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)[C@@H](C)n2cccc2)C1 1219469712 VYZLWTNJVWCUGH-KFWWJZLASA-N 305.378 -0.140 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1CN([C@H]2CCCN(C)C2=O)C[C@@H]1O 1220141583 ZHJRPBYQOANVQT-AGIUHOORSA-N 309.410 -0.019 30 20 DBED COCC#CCN1CC[C@@H]2CCN(C(=O)Cn3cnnn3)C[C@@H]21 1222235846 OFHKRFJMNXGXQV-KGLIPLIRSA-N 318.381 -0.754 30 20 DBED N#CCNC(=O)CN1CC[C@@H]2CCN(C(=O)[C@@H]3CCOC3)C[C@@H]21 1222362241 NCPAZLLGVGMVKX-MCIONIFRSA-N 320.393 -0.415 30 20 DBED COCC#CCN1CCC(CNC(=O)[C@@H]2CN(C)C(=O)N2)CC1 1224013677 FASNSPFZUBYJKG-AWEZNQCLSA-N 322.409 -0.512 30 20 DBED C[C@H]1OCC[C@H]1C(=O)NCC1CCN(CC(=O)NCC#N)CC1 1224946172 CGXQSTSBXZOCPZ-TZMCWYRMSA-N 322.409 -0.121 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)Cc2ccon2)CC1 1226681670 QEYJEYIWAPYGLH-UHFFFAOYSA-N 304.350 -0.453 30 20 DBED C=C[C@](C)(O)CC(=O)NC1CCN([C@@H]2CCC(=O)NC2=O)CC1 1227124702 XIQCCSSYZMJVKE-WBMJQRKESA-N 323.393 -0.301 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)c1n[nH]c(C)c1C 1231322373 PUGLLFOZISILNS-ZDUSSCGKSA-N 317.393 -0.078 30 20 DBED C=CCN1CC[C@@H](N2CC[C@@H]2CN(C)C(=O)CC(N)=O)C1=O 1231402313 UBLRNDSVTOZDFN-VXGBXAGGSA-N 308.382 -0.819 30 20 DBED CN(C[C@@H]1CCN1CC(=O)NCC#N)C(=O)[C@H]1CCCCO1 1233683150 LWIAKKQZULPTKQ-QWHCGFSZSA-N 308.382 -0.272 30 20 DBED C#CCC1(C(=O)N(C)C[C@@H]2CCN2CC(N)=O)CCOCC1 1235142839 RIEMJJBYGDSKGM-ZDUSSCGKSA-N 307.394 -0.176 30 20 DBED C=CCS(=O)(=O)CC(=O)N(CC)[C@H]1CCS(=O)(=O)C1 1262166184 WQXOZTJASJBFCZ-JTQLQIEISA-N 309.409 -0.377 30 20 DBED C#CCNCC(=O)N(Cc1cccnc1)[C@H]1CCS(=O)(=O)C1 1263110672 DMPLJPNZQVJSHE-AWEZNQCLSA-N 321.402 -0.180 30 20 DBED C=C(Cl)CN1CC[C@@H](NC(=O)CC[C@H]2NC(=O)NC2=O)C1 1267755010 XJBQSSQDGUDPDU-NXEZZACHSA-N 314.773 -0.082 30 20 DBED C=CCOCC(=O)N1CCCC[C@H]1CNCc1nc(=O)n(C)[nH]1 1281853066 LBHNBQASAIWVBM-LBPRGKRZSA-N 323.397 -0.218 30 20 DBED C#CCOCCNC(=O)C(=O)N(C)Cc1cccc(C(N)=O)c1 1323258840 CKSMUXIAEISIAT-UHFFFAOYSA-N 317.345 -0.490 30 20 DBED C#CCSCCNC(=O)C(=O)NCc1nnnn1CC1CC1 1323750876 PNESOCIEIMWMNP-UHFFFAOYSA-N 322.394 -0.818 30 20 DBED N#CCn1cc(NC(=O)C(=O)NCCOC[C@@H]2CCCO2)cn1 1324219224 KFHMEVRJRWGZJD-LBPRGKRZSA-N 321.337 -0.343 30 20 DBED C=C[C@@H](COC)NC(=O)N1CCN(CC(=O)NC2CC2)CC1 1325635582 VOBAVQCSIUMHSG-LBPRGKRZSA-N 310.398 -0.207 30 20 DBED CCOC[C@@H]1CCN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)C1 1326227807 PPKJZOXCJSSFOV-IUODEOHRSA-N 309.366 -0.252 30 20 DBED C=C(C)CN(C)C(=O)C(=O)N1CCC(S(N)(=O)=O)CC1 1328561684 OUQRTYRPQDIJTE-UHFFFAOYSA-N 303.384 -0.700 30 20 DBED COC(=O)N(C)CCNC(=O)C(=O)N1CCC[C@@H](CC#N)C1 1330705327 ZRVFXLCCPIHCRE-NSHDSACASA-N 310.354 -0.047 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)NCCNC(=O)OC(C)(C)C 1343034763 YCOPCZLKCZBGNK-SNVBAGLBSA-N 315.370 -0.056 30 20 DBED COCCNC(=O)[C@H](C#N)C(=O)c1cccn2c(O)nnc12 1343464434 XLBHPVGWDHXDPX-SECBINFHSA-N 303.278 -0.480 30 20 DBED C=C(C)Cn1c(CO)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1343602146 FIYWOQVVGCRXAN-SNVBAGLBSA-N 300.384 -0.030 30 20 DBED CS(=O)(=O)Cc1noc(NC(=O)N2CCO[C@H](C#N)C2)n1 1364320933 AKMNJGUVPOKTKC-SSDOTTSWSA-N 315.311 -0.630 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](C)NC(=O)c1nc2ncccn2n1 1373061892 GSHZPHLPBCTATJ-DTWKUNHWSA-N 301.310 -0.482 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)CCCn2cncn2)CC1 1389973280 PRPPJNJWULOYPN-LLVKDONJSA-N 304.354 -0.017 30 20 DBED COCC(=O)NC[C@H](O)CNCc1ccc(OC)c(C#N)c1 1392342037 MQQOMEPTUWYVMU-CYBMUJFWSA-N 307.350 -0.220 30 20 DBED COC(=O)NCC(=O)NCC1(NC(=O)c2c[nH]c(C#N)c2)CC1 1410675032 CNYYTFAINQUNRW-UHFFFAOYSA-N 319.321 -0.379 30 20 DBED COC(=O)CNC(=O)CNC(=O)c1cc(F)c(C#N)c(F)c1 1412096277 LNLOGJVUKSYGJY-UHFFFAOYSA-N 311.244 -0.145 30 20 DBED C[C@@H](CN(C)C(=O)c1ccc2nnnn2c1)NC(=O)[C@H](C)C#N 1412617995 OQBNYRLASWYOBZ-ZJUUUORDSA-N 315.337 -0.139 30 20 DBED CC1(CO)CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)CC1 1412791560 BUGPXHPUBBJAAK-UHFFFAOYSA-N 306.322 -0.558 30 20 DBED CC[C@H](C)N(CC(=O)OC)C(=O)Cn1cc(C#N)c(O)nc1=O 1412931643 LYZQCWZILXAQJI-VIFPVBQESA-N 322.321 -0.379 30 20 DBED C[C@@H](C#N)C(=O)N(C)C[C@H]1CCCN(C(=O)Cn2cnnn2)C1 1414902395 VXJGEQQGMAJCAD-NWDGAFQWSA-N 319.369 -0.470 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@](C)(NC(=O)Cn1cncn1)C1CC1 1416371294 YCYVUDRSXRWSHK-IINYFYTJSA-N 304.354 -0.161 30 20 DBED C[C@@H](C#N)C(=O)NC1CN(C(=O)C(C)(C)S(C)(=O)=O)C1 1432345539 ZTFQDHAZZOITHY-QMMMGPOBSA-N 301.368 -0.704 30 20 DBED COC(=O)[C@@H]1C[C@@H]1C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N 1432835531 VJUVRUPJNWLHBI-DTWKUNHWSA-N 319.321 -0.134 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H](O)CNC(=O)c2ccncc2)c1 1433225025 OVMQPAIBBZJEKJ-GFCCVEGCSA-N 313.317 -0.198 30 20 DBED N#CCc1ccnc(NC(=O)N2CCN(CC(N)=O)C(=O)C2)c1 1434742132 OHMMFEAPVCJINP-UHFFFAOYSA-N 316.321 -0.691 30 20 DBED Cc1ncoc1C(=O)NC[C@]1(O)CCN(C(=O)[C@H](C)C#N)C1 1454077184 QBISTRHEWIGYNA-YMTOWFKASA-N 306.322 -0.164 30 20 DBED CN(C[C@H](O)CNCc1cnn(C)n1)C(=O)c1cc(C#N)c[nH]1 1507471637 SGPDISXZWXXGRG-GFCCVEGCSA-N 317.353 -0.762 30 20 DBED C=C(C)Cn1c([C@@H](C)O)nnc1N1CCO[C@@H](C(=O)NC)C1 1515482686 MQXMNXMQRSBPHE-GHMZBOCLSA-N 309.370 -0.141 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)CCCn1ccnc1 1533290909 ZOFVUQXFXUESBE-NEPJUHHUSA-N 307.354 -0.584 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CCN(c2cncc(-c3nn[nH]n3)n2)C1 1573578169 ZGGBIXPCKXDNPF-RKDXNWHRSA-N 313.325 -0.489 30 20 DBED C#CCN1CCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)o2)CC1 1588353213 KSQDVEKYOAPRFL-UHFFFAOYSA-N 322.350 -0.601 30 20 DBED C#CCN(C(=O)[C@@H]1C[C@H]1C(=O)O)C1CCN(CC(=O)NC)CC1 1588459606 DNPAHRJLZBRDMK-CHWSQXEVSA-N 321.377 -0.621 30 20 DBED C#CCOCCC(=O)NCC1(N=c2cc[nH]c(C(=O)O)n2)CC1 1588489582 FMMHUFYLHYIZGC-UHFFFAOYSA-N 318.333 -0.303 30 20 DBED C=CCOC[C@@H](NC(=O)c1ccc(-c2nn[nH]n2)cn1)C(=O)O 1588859256 FRCWGQCLXGQXKN-SNVBAGLBSA-N 318.293 -0.353 30 20 DBED CS(=O)(=O)CCCNc1cnc(C#N)c(-c2nn[nH]n2)n1 1591674964 KTDGFJDVQAPPHS-UHFFFAOYSA-N 308.327 -0.625 30 20 DBED N#CC[C@]1(O)CCN(C(=O)NCC2(C(=O)O)CCOCC2)C1 1594605799 IYRODAZXYFEERL-AWEZNQCLSA-N 311.338 -0.072 30 20 DBED CN(C(=O)COC(=O)Cn1cc(C(=O)O)nn1)C(C)(C)C#N 1598028814 NMBUOPXOTITRQF-UHFFFAOYSA-N 309.282 -0.720 30 20 DBED N#Cc1ncn(CC(=O)N[C@H](CC2CCOCC2)C(=O)O)n1 1601135055 GPDBYUHJNNOCCI-SNVBAGLBSA-N 307.310 -0.464 30 20 DBED N#Cc1ccncc1C(=O)NCCc1nnc2c(=O)[nH]ccn12 1644703141 HGQZTLYYYRBYRJ-UHFFFAOYSA-N 309.289 -0.343 30 20 DBED N#Cc1cnn(CCn2cc(CN3CCS(=O)CC3)nn2)c1 1649869980 MVKDTODFZAQTSD-UHFFFAOYSA-N 319.394 -0.389 30 20 DBED CC(C)[C@@H](C(=O)NC1CC(CNCC(=O)NCC#N)C1)N(C)C 1725073998 ITSFLKCZFYFBPP-PIMMBPRGSA-N 323.441 -0.303 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)COCC2CC2)C1 1752551432 IFQKCNMCBWAFMF-OCCSQVGLSA-N 307.394 -0.259 30 20 DBED C#CCOCCC(=O)NC[C@H]1CCCN1Cc1nnn(C)n1 1753103141 PQOQMIBHSJTUDE-GFCCVEGCSA-N 306.370 -0.669 30 20 DBED C=C(C)CN1CCO[C@H](CNC(=O)CCS(=O)(=O)NC)C1 1753648656 KUJRHSLBGKZHLL-GFCCVEGCSA-N 319.427 -0.681 30 20 DBED C=CCNC(=O)CN1CCO[C@@H](CNC(=O)Cc2cc[nH]n2)C1 1753659632 YKMCJRONEMQYRM-ZDUSSCGKSA-N 321.381 -0.929 30 20 DBED C#CCO[C@H](C)C(=O)N(C)CCN(C)[C@H]1CCC(=O)NC1=O 1753852954 GEWOZBZCTNZIOT-NEPJUHHUSA-N 309.366 -0.780 30 20 DBED C=CCN1CC[C@H](NCCCN(C)C(=O)[C@@H](C)NC(C)=O)C1=O 1754356028 DHVFULMQCFXEDQ-OCCSQVGLSA-N 324.425 -0.264 30 20 DBED C[C@@H](CC(N)=O)C(=O)N1CCN([C@H]2CCN(CC#N)C2)CC1 1754662646 CXODLAUITGWMKC-STQMWFEESA-N 307.398 -0.760 30 20 DBED C#CCN1CCC(C)(CNC(=O)CN(C)C(=O)COC)CC1 1754718297 WFZJKFMZBFKROW-UHFFFAOYSA-N 309.410 -0.057 30 20 DBED C#CCNCC[C@@H]1CCN(C(=O)[C@H](CCC)S(N)(=O)=O)C1 1754922937 CEIULLGMQBBOJK-OLZOCXBDSA-N 315.439 -0.095 30 20 DBED C#CCNC(=O)CN1CCOC[C@@H]1CNC(=O)[C@@]1(C)C=CCC1 1754970134 NJAZWDGFTPGKJS-YOEHRIQHSA-N 319.405 -0.091 30 20 DBED C#CCCN1CCOC[C@H]1CNC(=O)[C@H](C)CN1CCOCC1 1754975172 UVPBOVMHJBRKGK-HZPDHXFCSA-N 323.437 -0.205 30 20 DBED CC#CCNCC(C)(C)CN(C)C(=O)Cn1nc(C)n(C)c1=O 1755287049 LDRPJYFYNAEQOK-UHFFFAOYSA-N 321.425 -0.012 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@@H](C)CNC(=O)c1cnnc(C)c1 1755297490 XTDYSBKLSBGJFP-STQMWFEESA-N 317.393 -0.027 30 20 DBED C#CCCN1CC([C@@H](C)NC(=O)CCS(=O)(=O)N(C)C)C1 1755392765 XPWQNGDXJZJGHZ-GFCCVEGCSA-N 315.439 -0.272 30 20 DBED Cc1ccc(C(=O)NC[C@@H](CO)NCC(=O)NCC#N)nc1C 1755632732 JAGJNERCXAAEBJ-LBPRGKRZSA-N 319.365 -0.981 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@@H](NCC(=O)NCC)C(C)(C)C1 1755759597 UZRKRFKVGNVUHM-CHWSQXEVSA-N 309.410 -0.013 30 20 DBED CC(C)C#CC(=O)N[C@H](C)C1CN(C(=O)[C@H]2CN(C)C(=O)N2)C1 1756151470 ZOIQVWDKOPOWEN-DGCLKSJQSA-N 320.393 -0.368 30 20 DBED C#CCO[C@H](C)C(=O)N1CC2(CCCN(C(=O)CC(N)=O)C2)C1 1756235855 HDEYEPBVKOHWCL-GFCCVEGCSA-N 321.377 -0.649 30 20 DBED CC(C)C#CC(=O)N[C@H]1C[C@H](CNC(=O)Cn2cnnn2)C1 1756249731 SNIJGYYEDNWHBG-HAQNSBGRSA-N 304.354 -0.657 30 20 DBED C[C@@H](CN(C)C(=O)[C@@H]1CC(=O)N(C)C1)NC(=O)C#CC1CC1 1756462440 VMYFLCHBWRBBCM-WCQYABFASA-N 305.378 -0.159 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@H](CO)NC(=O)c1cc(C)ncn1 1756515665 NOXPXGPEKYKRLD-IAQYHMDHSA-N 322.365 -0.681 30 20 DBED Cc1nnccc1C(=O)NC[C@@H](CO)NC(=O)C#CC(C)C 1756534971 GFTFVJDOTRUUOR-LBPRGKRZSA-N 304.350 -0.349 30 20 DBED C#Cc1ccc(C(=O)NC[C@H](CO)NC(=O)c2cn[nH]c2)nc1 1756538696 RUYNYHNQEZSCMY-GFCCVEGCSA-N 313.317 -0.693 30 20 DBED CC(=O)NCC(=O)NCC1=CCN(C(=O)C#CC2CC2)CC1 1756755414 KNVATCRHUVIXIS-UHFFFAOYSA-N 303.362 -0.189 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H]2CCN(C(=O)COCC)[C@@H]2C1 1756944121 ZCCNWSDPHDYCEY-QWHCGFSZSA-N 321.377 -0.778 30 20 DBED C=CCOCCCC(=O)N[C@@H]1C[C@@H](NC(=O)C(N)=O)C12CCC2 1757042857 LICSWYQIYSLGBB-VXGBXAGGSA-N 323.393 -0.002 30 20 DBED Cc1nn(C)c(C)c1[C@H](O)CNC[C@H](O)CN(C)CCC#N 1772046819 MPRLIWMOUBQWSX-UONOGXRCSA-N 309.414 -0.134 30 20 DBED C=CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(C)=O)C[C@@H]21 1791277967 KGDBPRDWBWPWIT-IHRRRGAJSA-N 323.393 -0.322 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)CC(C)=O)C2 1800454891 OHWXHLJYHUTBJU-IKVITTDRSA-N 306.362 -0.176 30 20 DBED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](CC)NC)CCO2 1835918007 OBWZEJGQNOMEJM-CZUORRHYSA-N 323.393 -0.926 30 20 DBED N#CC1(C(=O)N2CC3(CCCN3C(=O)CNC(=N)N)C2)CCC1 1842884980 LXEMADOUQJSQIX-UHFFFAOYSA-N 318.381 -0.633 30 20 DBED CCC[C@H]1CN(CC(=O)NCC#N)CCN1CC(=O)NCC#N 125411935 KVALOFBMXNMXET-ZDUSSCGKSA-N 320.397 -0.948 30 20 DBED C=CCNC(=O)CNC(=O)N1CCN(c2ncccn2)CC1 181197351 ZILWYOWCIGBYLZ-UHFFFAOYSA-N 304.354 -0.390 30 20 DBED C/N=C(/NCC(=O)N(C)C)N1CC[C@@H](NC(=O)NC2CC2)C1 262316269 QQVSWXUXPDKOQY-LLVKDONJSA-N 310.402 -0.814 30 20 DBED COC(=O)[C@@H](NS(=O)(=O)c1ccc(F)cc1C#N)[C@@H](C)O 275829093 TXTHPEBKJUJRGU-HQJQHLMTSA-N 316.310 -0.102 30 20 DBED CN(C)[C@]1(CNC(=O)NCCn2cnc(C#N)n2)CCSC1 286689534 NESISNGQPNDSHO-ZDUSSCGKSA-N 323.426 -0.114 30 20 DBED CC(C)(C)OC(=O)NCCNC(=O)NCCn1cnc(C#N)n1 287675650 DOBVNQAKBAQIEV-UHFFFAOYSA-N 323.357 -0.026 30 20 DBED N#Cc1ccc(N2CC[C@H](C(=O)NC(CO)CO)C2)c(F)c1 287976299 AFRSFTKLTRGZBL-NSHDSACASA-N 307.325 -0.007 30 20 DBED COCCN(CCO)CCS(=O)(=O)c1ccc(C#N)cn1 290420693 URJKKVSTJRMBJO-UHFFFAOYSA-N 313.379 -0.332 30 20 DBED C=C[C@@H](CO)NC(=O)c1cccc(C(=O)N[C@@H](C=C)CO)c1O 292851246 XYDBRSMZWXBVGP-QWRGUYRKSA-N 320.345 -0.054 30 20 DBED C=CCN(C(=O)[C@H]1COCCN1C)[C@H]1CCS(=O)(=O)C1 328946722 GNYDDWIJCLDDLB-NWDGAFQWSA-N 302.396 -0.481 30 20 DBED CN(C)c1ncc(C/N=C(/O)N2CCN3C(O)=NC[C@H]3C2)n1C 329819066 XNCMTDQHZZABBU-NSHDSACASA-N 321.385 -0.186 30 20 DBED Cc1ncc(S(=O)(=O)N2C[C@@H]3OCCN(C)[C@H]3C2)cc1C#N 330197669 SDDNYZOBNMDUHF-KBPBESRZSA-N 322.390 -0.035 30 20 DBED C=CC[C@@H](CO)CNC(=O)C1CCN(S(C)(=O)=O)CC1 330706581 OVOOAGBYBDZGLM-LLVKDONJSA-N 304.412 -0.041 30 20 DBED CN(C)S(=O)(=O)c1cc(/C(O)=N/[C@@H]2CNC(=O)C2)co1 330886828 MPZGJTODPIURST-QMMMGPOBSA-N 301.324 -0.277 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)NCCNC(=O)N(C)C 332509269 WVLPMLWIENDIDU-JTQLQIEISA-N 305.404 -0.426 30 20 DBED CCOC(=O)c1cnn(CC(=O)N[C@@H](C)C(=O)N(C)C)c1C#N 352379345 QKPFDTFJFWJBIS-VIFPVBQESA-N 321.337 -0.476 30 20 DBED CC(C)(CO)[C@H](NS(=O)(=O)N1CCO[C@@H](C#N)C1)C1CC1 352585632 HFGMTOSXWKVUCX-NWDGAFQWSA-N 317.411 -0.158 30 20 DBED Cn1ncc(C(=O)NC[C@@](C)(O)CN2CCOCC2)c1C#N 356240990 CCUQHVJLTWVJCT-CQSZACIVSA-N 307.354 -0.895 30 20 DBED C=C[C@@H](CO)NC(=O)NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 358910155 YMHFNBNRUBGMBJ-PJSNJIKXSA-N 319.361 -0.360 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N[C@H]1CCCS(=O)(=O)C1 407958591 RWBJRYUVFSRURJ-UWVGGRQHSA-N 309.413 -0.511 30 20 DBED C[C@H](NC(=O)c1n[nH]c2ccccc12)C(=O)NCC#CCO 412325198 SZWNPYXDDOJVNW-JTQLQIEISA-N 300.318 -0.207 30 20 DBED COc1cc(N2CCN(S(=O)(=O)[C@H](C)C#N)CC2)ncn1 416465085 KIXJSFSGOFJCCM-SNVBAGLBSA-N 311.367 -0.151 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CCNC(C)(C)C2)nn1 424551624 WMKQSYBXEVECBK-UHFFFAOYSA-N 306.370 -0.709 30 20 DBED C#CCN1CCN(C(=O)CN2CCC(OCCOC)CC2)CC1 490780666 OAYQARKYIUETSO-UHFFFAOYSA-N 323.437 -0.109 30 20 DBED C#CCNC(=O)C1CCN(C(=O)N[C@H]2CCN(C)C2=O)CC1 491203522 XBRSVFKWPYWWAH-LBPRGKRZSA-N 306.366 -0.612 30 20 DBED C#CCn1ccc(CN(CC)C(=O)C(=O)N[C@H]2CCNC2)n1 491383196 LEEPSELBCKCDKR-LBPRGKRZSA-N 303.366 -0.657 30 20 DBED CCOC(=O)N1CCC(NC(=O)NCC(=O)NCC#N)CC1 496669270 WOYXTQBSCWOPLS-UHFFFAOYSA-N 311.342 -0.454 30 20 DBED CN1CC[C@@H](CNc2c(C#N)c(=O)n(C)c(=O)n2C)CC1=O 515377389 WCGDPZNALDPECY-SECBINFHSA-N 305.338 -0.764 30 20 DBED C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 565248970 CDNUJFLLLFYDQE-XQHKEYJVSA-N 308.382 -0.327 30 20 DBED N#CCNC(=O)CNC[C@@H](O)COc1cccc([N+](=O)[O-])c1 567494464 HWNWAPANHOSAAB-LLVKDONJSA-N 308.294 -0.436 30 20 DBED CC[C@](C)(C#N)C(=O)N1CCC(NS(=O)(=O)NC)CC1 568048636 WHSDOWFVAQNJAT-GFCCVEGCSA-N 302.400 -0.029 30 20 DBED Cn1c(N2CCOC[C@@H]2C2CCC2)c(C#N)c(=O)n(C)c1=O 575919108 VNRHOCKADDNSQX-GFCCVEGCSA-N 304.350 -0.039 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N(C)[C@H](COC)C(=O)O 582364110 VIKDLIIGOHPMGI-VHSXEESVSA-N 307.372 -0.256 30 20 DBED CC[C@@H](CNS(C)(=O)=O)NC(=O)N1CC[C@](O)(CC#N)C1 592027231 FUVJBUDQFSGHLY-CMPLNLGQSA-N 318.399 -0.626 30 20 DBED CN(CC1=CCCOC1)S(=O)(=O)N1CCO[C@H](C#N)C1 594843287 BPPCJMDBJOOWNA-GFCCVEGCSA-N 301.368 -0.266 30 20 DBED CC(=O)N[C@H]1CCCN(C(=O)Cn2ccc(C#N)cc2=O)C1 596328133 IPWHFKLRWUHJTQ-ZDUSSCGKSA-N 302.334 -0.153 30 20 DBED CC(C)NS(=O)(=O)N1CCN(C(=O)NC[C@@H](C)C#N)CC1 596549729 KCOVZYQKZJDRFD-NSHDSACASA-N 317.415 -0.284 30 20 DBED CC#CCNCc1cn([C@H]2CCN(CCC(=O)OC)C2=O)nn1 603239752 YLUSRCGBPWMNMY-ZDUSSCGKSA-N 319.365 -0.273 30 20 DBED C[C@H](C#N)CNC(=O)NCCN1CCN(S(C)(=O)=O)CC1 611623237 QUOOIPQPGHDCJJ-LLVKDONJSA-N 317.415 -0.978 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CCN([C@@H]2CCOC2)CC1 619712628 LVKVPNLSCLJEMM-CYBMUJFWSA-N 316.427 -0.127 30 20 DBED C=C[C@](C)(O)C(=O)N[C@@H]1CCCN(CCN2CCOCC2)C1 641671444 VTNQTPJUFCHQNC-ZBFHGGJFSA-N 311.426 -0.164 30 20 DBED C=C[C@H](CO)NCC(=O)c1c(N)n(CC(C)C)c(=O)n(C)c1=O 662166941 MONOMDZAPKEIFF-SNVBAGLBSA-N 324.381 -0.896 30 20 DBED C=CCn1nnn(CN2CC[C@H](S(=O)(=O)NC)C2)c1=S 749791638 NFUVVVARHLQDDL-VIFPVBQESA-N 318.428 -0.424 30 20 DBED C#CCOCCC(=O)N1CCN(C(=O)CN2CCOCC2)CC1 755438902 YEIHCEGXBXJPQE-UHFFFAOYSA-N 323.393 -0.971 30 20 DBED C=C(C)[C@H](C)OC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 755990456 XVMPISGRNBOSEU-VIFPVBQESA-N 306.322 -0.059 30 20 DBED C[C@@H]1C[C@H]1C=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 771897684 QJEFFEJNIGMKEI-SFYZADRCSA-N 300.340 -0.996 30 20 DBED COC[C@H](C#N)OC(=O)CNS(=O)(=O)c1ccccc1C#N 785139243 OQPYTGZWNMTIFM-NSHDSACASA-N 323.330 -0.082 30 20 DBED COC(=O)[C@@H]1CN(C(=O)C(=O)NCCC#N)c2ccccc2O1 787593854 KYCMWSBRLLTVKT-LBPRGKRZSA-N 317.301 -0.017 30 20 DBED C[C@H](Oc1ccc(C=NNC2=NC(=O)C(=O)N2)cc1)C(=O)O 794923210 MXBIPTLSECGMRZ-ZETCQYMHSA-N 304.262 -0.526 30 20 DBED C#CCCS(=O)(=O)N1C[C@@H](OCCOC)C[C@@H](CO)C1 808308638 MRVXXXNUWRTFNS-OLZOCXBDSA-N 305.396 -0.315 30 20 DBED C#CCOCCNC(=O)C(=O)Nc1cccc(-c2nn[nH]n2)c1 823856171 LQWKWSZGGXFTKS-UHFFFAOYSA-N 314.305 -0.429 30 20 DBED CC(C)[C@H](C#N)N1CCN(C(=O)CN2C[C@H]3C[C@H]2C(=O)O3)CC1 830688954 YQURZWFSKCUULB-RDBSUJKOSA-N 320.393 -0.322 30 20 DBED C#CCCCNC(=O)N1CC(S(=O)(=O)N2CCNCC2)C1 841887109 YCEUBEFEVDGVQD-UHFFFAOYSA-N 314.411 -0.971 30 20 DBED C#CC[C@@H](CO)NC(=O)[C@H](C)[C@@H](C)C(=O)N[C@@H](CO)CC#C 854541824 JKACAKAQERCPOZ-SYQHCUMBSA-N 308.378 -0.741 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCCC(=O)[C@@H]2C)C1=O 885040066 SCJMMGGRDDHOEN-VIFPVBQESA-N 307.306 -0.457 30 20 DBED C#CCN1CCC[C@@H](NC(=O)N2CCC(CO)(CO)CC2)C1 890361242 MPYADVWNDBAWOT-CQSZACIVSA-N 309.410 -0.140 30 20 DBED C#CC1(O)CN(C(=O)NCc2ccc(OCCOC)nc2)C1 891911702 ZKMCYPXRRQSYBT-UHFFFAOYSA-N 305.334 -0.004 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C2CN(S(C)(=O)=O)C2)C1=O 907959157 IDVDCYNOENKEHC-LLVKDONJSA-N 315.395 -0.877 30 20 DBED CN(C(=O)C[C@@H]1CCNC1=O)[C@@H]1CCN(C(=O)C#CC2CC2)C1 937352919 JUVRAMLXTLXPOV-UONOGXRCSA-N 317.389 -0.015 30 20 DBED Cn1cc(C(=O)N[C@@H]2CCN(C(=O)C#CC3CC3)C2)nc1O 942340877 SUOFWUPRCWNDFR-LLVKDONJSA-N 302.334 -0.130 30 20 DBED C[C@H]1CN(CC#N)CC[C@@H]1NC(=O)c1cnn2c(=O)cc[nH]c12 943467182 USDGKRQEFVSUTQ-JQWIXIFHSA-N 314.349 -0.014 30 20 DBED C=CC(C)(C)C(=O)N1CCC(NC(=O)Cn2cnnn2)CC1 947714815 CUSWHWRGAIDVSX-UHFFFAOYSA-N 306.370 -0.008 30 20 DBED COCCn1nccc1C(=O)N(C)C1CN(C(=O)[C@@H](C)C#N)C1 954578605 KOBHJCXZIKLJIE-NSHDSACASA-N 319.365 -0.028 30 20 DBED C=C(C)CN1C[C@@H](O)[C@@H](CNC(=O)c2cccn(C)c2=O)C1 958595632 STOXLQILKVHPDT-GXTWGEPZSA-N 305.378 -0.016 30 20 DBED CS(=O)(=O)CCN1C[C@H]2C(NC(=O)c3ccc(C#N)[nH]3)[C@@H]2C1 958601788 LELWVTAXXDRRCP-GHMZBOCLSA-N 322.390 -0.409 30 20 DBED NC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@H]2CN(C(=O)C#CC3CC3)C[C@H]2C1 961543324 VGQVPKGCUDPACV-RQJABVFESA-N 315.373 -0.562 30 20 DBED Cn1c(C(=O)NC2[C@H]3CN(CC#N)C[C@H]23)c2n(c1=O)CCCC2 961768558 CBYBZLFQHSUGJM-QWRGUYRKSA-N 315.377 -0.293 30 20 DBED Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)nn1 962907341 FBXKDLHGAIOKAB-FXAINCCUSA-N 303.322 -0.754 30 20 DBED Cc1n[nH]c(C)c1CC(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1O 962997922 NQHGKNATFKVMTQ-CKLFPEKLSA-N 319.365 -0.583 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC2(C1)CN(C(=O)C(C)(C)C(N)=O)C2 965465396 JTYTYNPYWPJUCO-JTQLQIEISA-N 322.365 -0.903 30 20 DBED CO[C@@H](C)C(=O)N1CC(N2CCN(C(=O)[C@H](C)C#N)CC2)C1 967244680 OGPPWHHAWJNHGZ-NEPJUHHUSA-N 308.382 -0.464 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCN(C)C1=O 969662455 XUMFFGVLRSMHCI-WUHRBBMRSA-N 318.377 -0.174 30 20 DBED C[C@@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)[C@@H]1COC(=O)N1)C2 969806018 PSEONFRTIXZSOR-NAKRPEOUSA-N 306.322 -0.544 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@H]1CN2Cc1nc(=O)n(C)[nH]1 971194943 LOMJHGCHTPOXEK-AXFHLTTASA-N 304.354 -0.557 30 20 DBED C#CCCN1CCO[C@]2(CCN(C(=O)c3nccnc3N)C2)C1 972309015 UDWRJNOTZVVZKT-MRXNPFEDSA-N 315.377 -0.001 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)Cc3ccnn3C)C2)C1 972363323 XOBDEGIXSIUOPK-MRXNPFEDSA-N 302.378 -0.101 30 20 DBED C#CCCN1CCO[C@@]2(CCN(C(=O)C[C@@H]3CCNC3=O)C2)C1 972408323 JUJLHFZEXSVDPK-YOEHRIQHSA-N 319.405 -0.161 30 20 DBED CC#CCN1CCO[C@]2(CCN(C(=O)C3(C(N)=O)CC3)C2)C1 972528666 SSIWZBRQLDLSRW-OAHLLOKOSA-N 305.378 -0.422 30 20 DBED CN(CC#N)[C@@H]1CCN(C(=O)C2CC3(C2)NC(=O)NC3=O)C1 972535061 WMXGWODUYYZEPL-OPASDULOSA-N 305.338 -0.969 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3CCNC3=O)C2)[nH]1 974045809 UDCHMQXMWBTNAI-AXFHLTTASA-N 315.333 -0.601 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2CCCN(C(=O)C(N)=O)C2)cn1 975432294 VAAQKSUCTGHTEZ-NSHDSACASA-N 314.345 -0.483 30 20 DBED CC1(C)CN(CC#N)C[C@H]1NC(=O)[C@H]1CCS(=O)(=O)N1 977608131 YNGZLGGVNNUQTK-NXEZZACHSA-N 300.384 -0.972 30 20 DBED C#Cc1cncc(C(=O)NCC2[C@@H]3CN([C@@H]4CCNC4=O)C[C@@H]23)c1 978704698 YJXWAOMFPAVCSU-HRCADAONSA-N 324.384 -0.141 30 20 DBED Cn1cc(C(=O)N[C@H]2CCC[C@H](NCC#N)C2)c(O)nc1=O 981519292 ZQEIVCCUUGKNOG-UWVGGRQHSA-N 305.338 -0.360 30 20 DBED CC#CCN1CCCC2(C1)CN(C(=O)C[C@H]1CC(=O)NC1=O)C2 982176810 QYRJFRBTTWFYOX-CYBMUJFWSA-N 317.389 -0.013 30 20 DBED C[C@@H]1C[C@@H](NCC#N)CN1C(=O)CCn1cc[nH]c(=O)c1=O 989561510 FFIQFKKFUXMKIQ-GHMZBOCLSA-N 305.338 -0.971 30 20 DBED C[C@@H]1CN(C)C[C@H](C(=O)NC2CN(C(=O)C#CC3CC3)C2)O1 994839149 BMZXGJFGJYWPIF-BXUZGUMPSA-N 305.378 -0.554 30 20 DBED N#CCN[C@H]1CCCN(C(=O)[C@@H]2CCc3nnc(O)n3C2)C1 999551888 ASAAGSKNYDWDQD-MNOVXSKESA-N 304.354 -0.350 30 20 DBED C=CCN[C@H]1CCCN(C(=O)CN2CCS(=O)(=O)CC2)C1 1000913877 WDMPKNHOPDQJDR-ZDUSSCGKSA-N 315.439 -0.517 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CCN(Cc3nc(O)n[nH]3)C2)c1 1010455762 BCSOYWXYMXLRLP-SECBINFHSA-N 301.310 -0.286 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2CCN([C@H]3CCCNC3=O)C2)[nH]1 1010647414 YVNDZHXGEGZCFJ-AAEUAGOBSA-N 301.350 -0.031 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)[C@H]2CCN(C)S2(=O)=O)C1 1015825818 SEEWKBRFFGKRJK-NWDGAFQWSA-N 301.412 -0.213 30 20 DBED C[C@@H]1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)CN1C(=O)C(N)=O 1018068398 DZNDNDSLTUTYBB-SCZZXKLOSA-N 303.322 -0.519 30 20 DBED COCC(=O)N1CC[C@@H]2OCCN(C(=O)C#CC3CC3)[C@@H]2C1 1019832071 AQXVJCZLBREVRI-KGLIPLIRSA-N 306.362 -0.126 30 20 DBED Cn1nnnc1CNC[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 1026793470 CPLNOFROVLKGEX-SNVBAGLBSA-N 314.353 -0.338 30 20 DBED C#CCN(C)[C@@H]1CCCN(C(=O)[C@@H]2CN(C(C)=O)CCO2)C1 1027666288 CUQZOFYBNLJXRE-CABCVRRESA-N 307.394 -0.210 30 20 DBED C#CCN1CCC[C@@H]1CNC(=O)[C@@H]1CCc2nnc(O)n2C1 1027978361 KOWNYNFDRMPEIH-VXGBXAGGSA-N 303.366 -0.240 30 20 DBED C=C(Cl)CN1CC(NC(=O)CN2C(=O)NC(C)(C)C2=O)C1 1031349431 ZWQBXBPIWZZHRH-UHFFFAOYSA-N 314.773 -0.130 30 20 DBED Cn1nnnc1CN1CC(CNC(=O)c2c[nH]c(C#N)c2)C1 1031622473 MWYMKLAGHIQWOH-UHFFFAOYSA-N 300.326 -0.728 30 20 DBED C#CCCN1CCO[C@@H](CNC(=O)c2cc(OC)ncn2)C1 1035366864 AEHSKXYRPZVQDW-LBPRGKRZSA-N 304.350 -0.061 30 20 DBED C#CCCN1CC2(CCN(C(=O)CN3C(=O)CNC3=O)CC2)C1 1035846889 ALARUOZWEGAKIO-UHFFFAOYSA-N 318.377 -0.514 30 20 DBED C#CCCN1CC[C@H]2CN(C(=O)Cn3ncn(C)c3=O)CC[C@H]21 1036754061 ZTGUJSOFHDBHBQ-UONOGXRCSA-N 317.393 -0.472 30 20 DBED CC(C)[C@@H](O)C(=O)NC[C@@]1(O)CCN(C(=O)C#CC2CC2)C1 1039626961 LDYBXKUCGZDMFB-ZBFHGGJFSA-N 308.378 -0.504 30 20 DBED C=CC(C)(C)C(=O)NC[C@]1(O)CCN(C(=O)c2cn(C)nn2)C1 1040488103 JBQUOMTXMABBDQ-OAHLLOKOSA-N 321.381 -0.280 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)CC2=CCOCC2)C1 1040819900 BVVOKSGDVGLHEI-MLGOLLRUSA-N 321.377 -0.038 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@]1(O)CCN(C(=O)C(F)F)C1 1040950406 OSMNTBZAFULLAV-BFVZDQMLSA-N 318.320 -0.078 30 20 DBED Cc1conc1C(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1O 1041158420 NGESMKHENKYWTL-GHMZBOCLSA-N 314.305 -0.376 30 20 DBED CO[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2c[nH]c(C#N)c2)C1 1041757850 AWJUVNQJZCZQON-VIFPVBQESA-N 306.322 -0.776 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)c2ccn(C)c2)C1 1043040911 ZJZULSMKKLQDKX-GFCCVEGCSA-N 319.361 -0.634 30 20 DBED C=C(C)CCC(=O)N1CC(O)(CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 1046718570 XRAHTJCWFCDFCL-MNOVXSKESA-N 309.366 -0.846 30 20 DBED NC(=O)NCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C#CC1CC1)C2 1047303990 RRDDRIFAPKLPIX-XQQFMLRXSA-N 318.377 -0.436 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCn3ccnc3C2)C1 1047435281 HEZSOSLLQLAYNC-ILXRZTDVSA-N 316.405 -0.028 30 20 DBED C=CCCC(=O)N(C)[C@H]1CN(C(=O)C2(C(=O)NC)CC2)C[C@@H]1O 1048523654 RDKFBPLROOOMLD-RYUDHWBXSA-N 323.393 -0.491 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)/C(C)=C/C)C1 1048651378 RAIDYMXQOPDHAL-NHFJXKHHSA-N 321.377 -0.878 30 20 DBED Cn1cnn(CC(=O)N2CCC[C@@H]3[C@@H]2CCN3CC#N)c1=O 1049561402 KSGGRYFEQORUNI-NEPJUHHUSA-N 304.354 -0.829 30 20 DBED CC(=O)N1CCOC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CCN2CC#N 1049908932 OBZKOZSFBVLRSU-QLFBSQMISA-N 320.393 -0.177 30 20 DBED CC#CCN1CCOC[C@H]1CNC(=O)c1cc(OC)n(C)n1 1051014379 VYTYOPAZABECPV-GFCCVEGCSA-N 306.366 -0.117 30 20 DBED Cc1c[nH]c(CC(N)=O)c1C(=O)NC[C@@H]1COCCN1CC#N 1051126373 FIXAYFJEKODZLJ-LLVKDONJSA-N 319.365 -0.695 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)c3cn(C)c(=O)cn3)CO2)C1 1053874918 NAQRMDPLSXDLKZ-GFCCVEGCSA-N 316.361 -0.623 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)c3c[nH]c(=O)cn3)CO2)C1 1053908826 AXBFHWDGRGZHCY-LLVKDONJSA-N 302.334 -0.634 30 20 DBED C#CCN[C@H]1CN(C(=O)CN2CCCCS2(=O)=O)C[C@H]1C 1054912519 VDCHCPJZNQLLPT-OLZOCXBDSA-N 313.423 -0.518 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@](CO)(NC(=O)c2cn(C)nn2)C1 1055925077 QWLANZGRIZCPHF-YGRLFVJLSA-N 320.353 -0.942 30 20 DBED C=CCCC(=O)N1CCC[C@@](CO)(NC(=O)Cn2nccn2)C1 1055961779 XEGZKTHJEHSCBJ-OAHLLOKOSA-N 321.381 -0.286 30 20 DBED N#Cc1ccc(N2C[C@@H]3C(NC(=O)C4=COCCO4)[C@H]3C2)nn1 1056099362 DZEQGFNKSLATIR-QWRGUYRKSA-N 313.317 -0.213 30 20 DBED N#Cc1cncc(N2C[C@H]3[C@H](NC(=O)Cn4cccn4)[C@H]3C2)n1 1056142579 ZLAOLRSJQXIXTN-JYAVWHMHSA-N 309.333 -0.204 30 20 DBED C#Cc1ccccc1CC(=O)NCCN(CCO)C(=O)COC 1056785220 BUXPPHFYTJVIIN-UHFFFAOYSA-N 318.373 -0.206 30 20 DBED C=C[C@](C)(O)CC(=O)NCCN(CCO)C(=O)[C@H](C)COC 1057188915 FXAQUEUHRJCFES-DOMZBBRYSA-N 316.398 -0.467 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)[C@H](C)OCC 1057194042 XRQSELWYQJQAPF-LBPRGKRZSA-N 302.371 -0.449 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)Cn1nccc1C 1057197916 GMTBTGHUYQPJFP-UHFFFAOYSA-N 324.381 -0.669 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)C[C@@H]1COC(=O)C1 1057347662 LDEZLZILMCDFPG-ZDUSSCGKSA-N 324.377 -0.464 30 20 DBED C#CCNC(=O)CC(=O)N(CCO)CCNC(=O)C(C)(C)C=C 1057394350 PQJZTWXYJHBIOM-UHFFFAOYSA-N 323.393 -0.725 30 20 DBED C=C1CC(C)(C(=O)NCCN(CCO)C(=O)c2ncn(C)n2)C1 1057498111 PJBITOIYTMVECV-UHFFFAOYSA-N 321.381 -0.278 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)CCCC(N)=O 1057524313 BOJPLOIATIALAJ-UHFFFAOYSA-N 311.382 -0.762 30 20 DBED O=C(NCCN(CCO)C(=O)C#CC1CC1)[C@@H]1C[C@H]2CC[C@H]1O2 1057530992 ANKGGNITTZFTFC-RBSFLKMASA-N 320.389 -0.096 30 20 DBED O=C(Cc1ccc[nH]1)NCCN(CCO)C(=O)C#CC1CC1 1057535558 BHSKXKVSVIWZFY-UHFFFAOYSA-N 303.362 -0.092 30 20 DBED C#CCOCCC(=O)N(CCO)CCNC(=O)/C=C\C1CC1 1057580258 AWLFAVUCPXNEJV-WAYWQWQTSA-N 308.378 -0.070 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)[C@@]12COC[C@@H]1C2 1057829244 IDGBYYHARARBMX-WFASDCNBSA-N 312.366 -0.837 30 20 DBED N#Cc1nccc(N2CCC(NC(=O)[C@H]3C[C@H]3C(N)=O)CC2)n1 1057944435 VSIPPZPXXBVYRK-MNOVXSKESA-N 314.349 -0.445 30 20 DBED C=CC(C)(C)C(=O)N(CCO)CCNC(=O)[C@@H]1CCNC1=O 1058306133 WPJNQSYYWSETGE-LLVKDONJSA-N 311.382 -0.728 30 20 DBED CN1CCO[C@@H](C(=O)N[C@H]2CCN(c3cnc(C#N)cn3)C2)C1 1058316796 HRJAYSQULOOTRE-WCQYABFASA-N 316.365 -0.626 30 20 DBED N#Cc1cccnc1N1CC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1 1058531076 GQAKNWQZPHXYNU-MNOVXSKESA-N 300.322 -0.670 30 20 DBED N#Cc1cncc(N2CC[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)n1 1058545565 ZNIRGXRNEAQFNR-IEBDPFPHSA-N 300.322 -0.835 30 20 DBED CCCN1CCC[C@@H]1C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N 1058660782 IJNGXOFOUDMGOO-UONOGXRCSA-N 324.425 -0.042 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(CCO)CCNC(=O)c1cocn1 1058873703 BVXOFLSFSROCGF-YPMHNXCESA-N 323.349 -0.184 30 20 DBED NC(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@H](CCNC(=O)C#CC2CC2)C1 1060411553 XDESNDHUDKPLBQ-MJBXVCDLSA-N 317.389 -0.124 30 20 DBED N#Cc1ccc(N[C@@H]2CC[C@H]3CN(C(=O)CC(N)=O)C[C@@H]32)nn1 1060522522 ADAAYIFHRAIZRU-ZMLRMANQSA-N 314.349 -0.127 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC2(CC1)CN(C(=O)CC(N)=O)C2 1060958383 OHTLEJXRGMRRHF-LBPRGKRZSA-N 321.377 -0.649 30 20 DBED Cn1cc(C(=O)NC[C@@H]2CCCN2c2ccc(C#N)nn2)nn1 1061349063 QRIWPTXLJZHYAZ-NSHDSACASA-N 312.337 -0.124 30 20 DBED Cc1cnn(CC(=O)NC[C@H]2COCCN2C(=O)[C@@H](C)C#N)c1 1061370589 WSGVZJQCJNUITK-STQMWFEESA-N 319.365 -0.305 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCOC[C@H]1CNC(=O)c1cocn1 1061419738 OUVZTGHBWLYQSR-IAQYHMDHSA-N 323.349 -0.041 30 20 DBED C=CCOCC(=O)NC[C@H]1COCCN1C(=O)c1cc[nH]n1 1061421863 WEMADXTWUWYZES-NSHDSACASA-N 308.338 -0.431 30 20 DBED C=CCOCC(=O)NC[C@H]1COCCN1C(=O)c1ccnnc1 1061423773 NIAZVYXYNKUBLP-ZDUSSCGKSA-N 320.349 -0.364 30 20 DBED N#Cc1cnc(N2C[C@@H]3C[C@H]2CN3C(=O)c2cnnc(O)c2)cn1 1062537525 AKLSIAYSYUBRIR-RYUDHWBXSA-N 323.316 -0.053 30 20 DBED C#CCO[C@H](C)C(=O)NC1(CNC(=O)[C@@H]2CCNC2=O)CCC1 1063910764 ZXWPDDUYRDEBJP-VXGBXAGGSA-N 321.377 -0.684 30 20 DBED CCn1cc(C(=O)N[C@H]2[C@H]3C[C@H]2N(c2cncc(C#N)n2)C3)nn1 1064289119 MQNGXAZINGVKJU-BHYNMZESSA-N 324.348 -0.033 30 20 DBED C=CCCC(=O)NC1(CNC(=O)CN2C(=O)CNC2=O)CCC1 1064600035 NGMAVCMODFDXAO-UHFFFAOYSA-N 322.365 -0.341 30 20 DBED C=C1CC(C)(C(=O)NC[C@@H]2CN(C(=O)CNC(N)=O)CCO2)C1 1064838863 MFIWQFOBCAVKKF-LLVKDONJSA-N 324.381 -0.645 30 20 DBED N#CCSCC(=O)N1CCO[C@@H](CNC(=O)c2cnn[nH]2)C1 1064882426 BTNFKYGKNNNOKF-VIFPVBQESA-N 324.366 -0.981 30 20 DBED C#CCCCCC(=O)N1CCO[C@@H](CNC(=O)c2cnn[nH]2)C1 1065066081 XQUPEVGAUBULOI-LBPRGKRZSA-N 319.365 -0.045 30 20 DBED C=CCCOCC(=O)NC[C@H]1CN(C(=O)c2cnn[nH]2)CCO1 1065328151 MGHABEAHYKBRLD-NSHDSACASA-N 323.353 -0.645 30 20 DBED Cc1cnn(C)c1C(=O)N1CCO[C@H](CNC(=O)[C@H](C)C#N)C1 1065475168 MJWHHLCNBNRYDA-ZYHUDNBSSA-N 319.365 -0.155 30 20 DBED C=CCOCC(=O)N[C@@H]1CCCN(C(=O)CC(=O)NC)CC1 1065986107 ZPAHGSJDJAHRPF-GFCCVEGCSA-N 311.382 -0.178 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CCCN(C(=O)Cn2cncn2)CC1 1066481718 RHUXCSWASARLLU-NEPJUHHUSA-N 304.354 -0.065 30 20 DBED N#CCSCC(=O)N1CC2(C[C@@H](NC(=O)C(F)F)CO2)C1 1068641084 SOWHHQFIMOCEPT-MRVPVSSYSA-N 319.333 -0.006 30 20 DBED C#CCCCCC(=O)N[C@H]1COC2(C1)CN(C(=O)CC(N)=O)C2 1068818720 ASOQJHFGFPMQMW-GFCCVEGCSA-N 321.377 -0.459 30 20 DBED CCCN(C)CC(=O)N[C@H]1COC2(C1)CN(C(=O)[C@H](C)C#N)C2 1068939392 DJBQHTPXIOZZPD-CHWSQXEVSA-N 322.409 -0.026 30 20 DBED N#CCN[C@@H]1CN(C(=O)Cn2cccn2)C[C@@H]1n1ccnn1 1070140931 CXUFAUNOSRDYBU-NEPJUHHUSA-N 300.326 -0.960 30 20 DBED N#CCN1C[C@H]2C[C@@H]3CN(C(=O)CCn4ccnn4)C[C@@]3(C1)O2 1070793570 KWDDJXHYZPEPOP-UMVBOHGHSA-N 316.365 -0.507 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)Cc4cnc[nH]4)C[C@@]3(C1)O2 1070862109 JGQNXADNQMIPFE-XNRPHZJLSA-N 300.362 -0.113 30 20 DBED C#CCCN1C[C@H]2C[C@@H]3CN(C(=O)Cn4cncn4)C[C@@]3(C1)O2 1070887463 LJXHCTGPFIHVJG-IIAWOOMASA-N 315.377 -0.397 30 20 DBED Cc1ccc(C(=O)N2CCC(=O)NCCN(CC#N)CC2)nn1 1070963368 OKXQURUJUCVJEB-UHFFFAOYSA-N 316.365 -0.427 30 20 DBED C#CCN1CC[C@]2(C1)CN(C(=O)Cn1cnnc1O)C[C@@H](C)O2 1071148826 AWIFMHQYSZMAAV-DOMZBBRYSA-N 319.365 -0.691 30 20 DBED C=CCOCC(=O)N1C[C@@H](NC(=O)CNC(=O)NC)[C@H](C)C1 1071804491 CHUYHSQDUGPLIQ-GHMZBOCLSA-N 312.370 -0.919 30 20 DBED C=CCOCCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)CC(N)=O)C1 1071871651 NGMWNZBDFTUFJD-NEPJUHHUSA-N 311.382 -0.192 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CN(C(=O)CC(C)(C)O)C[C@H]1C 1071987051 BWHAPXOGTUDZTQ-NEPJUHHUSA-N 323.393 -0.750 30 20 DBED C#CCOCCC(=O)N1C[C@H](C)[C@H](NC(=O)C2=COCCO2)C1 1072097205 KKYYCCHDQKGRTC-QWHCGFSZSA-N 322.361 -0.122 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(C(=O)Cn2nccn2)C[C@@H]1C 1072184711 ZGTWQHYLZBNZTC-QWHCGFSZSA-N 319.365 -0.719 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](NC(=O)CNC(N)=O)[C@H](C)C1 1073704526 JCFXMYYDHUHZGL-VXGBXAGGSA-N 324.381 -0.952 30 20 DBED COCC(=O)N1CCC(O)(CNC(=O)c2cc(C#N)c[nH]2)CC1 1074416328 NKXRGIUSSRKDEX-UHFFFAOYSA-N 320.349 -0.384 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CCN(C(=O)C2=COCCO2)CC1 1074449525 CNDCUTUXSNNBEA-LLVKDONJSA-N 323.349 -0.496 30 20 DBED C[C@@H](CCNC(=O)[C@@H]1COCCO1)NC(=O)c1cc(C#N)c[nH]1 1075698355 YBIFCBVMYSNDJF-GWCFXTLKSA-N 320.349 -0.074 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H](C)CCNC(=O)c1cnnn1CC 1076385973 XBZJZYMWFDXXSQ-NWDGAFQWSA-N 321.381 -0.039 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@H]3CN(CC(=O)NC)C[C@H]32)cn1 1076476869 GERADEVJBQMEAJ-DZGCQCFKSA-N 312.373 -0.045 30 20 DBED C=CCn1cc(C(=O)NCC[C@H](C)NC(=O)c2cnn[nH]2)nn1 1076576871 FLDUNHIGJQZKCS-VIFPVBQESA-N 318.341 -0.479 30 20 DBED C[C@@H](CCNC(=O)[C@H](C)S(C)(=O)=O)NC(=O)C#CC1CC1 1077262291 GGRKZBHHJZNFNA-QWRGUYRKSA-N 314.407 -0.156 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2cn(-c3ccccc3)nn2)C1 1077290437 KCPHDDFYBFPYDB-TZMCWYRMSA-N 312.333 -0.434 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)c2cnn(CCOC)c2)C1 1078090415 QPEAIEZENRJUSA-ZIAGYGMSSA-N 308.382 -0.120 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(C(N)=O)c2)C1 1078186123 VPQXVPTWFQAYCW-GHMZBOCLSA-N 312.757 -0.359 30 20 DBED CCN(C(=O)[C@@H]1CNC(=O)N1)C1CN(C(=O)C#CC(C)(C)C)C1 1080384931 BZGCRKDVMIQESN-LBPRGKRZSA-N 320.393 -0.223 30 20 DBED CC#CCCCC(=O)N1CCC(CO)(NC(=O)C(N)=O)CC1 1080978978 YCQAFBDHKVMHRV-UHFFFAOYSA-N 309.366 -0.865 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(C(=O)c2cocn2)C[C@H]1O 1081471983 ULKGJKYTBUORNP-DGCLKSJQSA-N 303.318 -0.363 30 20 DBED O=C(CN1CCCC1)NC[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1081499845 PGPYTVNNQBVUED-HUUCEWRRSA-N 319.405 -0.569 30 20 DBED C[C@@H](C#N)C(=O)N1CCCC[C@H]1CNC(=O)CCn1cnnn1 1082265943 NUJIAVNAAGMIBM-RYUDHWBXSA-N 319.369 -0.280 30 20 DBED C=CCn1cc(C(=O)N2CCO[C@@H]3CN(CCOC)C[C@@H]32)nn1 1083217699 LECWRWZPJQKLJW-UONOGXRCSA-N 321.381 -0.364 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCc3nccn3C2)C1 1083583635 MHKXUVJIWJTDDZ-MCIONIFRSA-N 302.378 -0.370 30 20 DBED N#Cc1ccc(NCC2(CCNC(=O)CNC(N)=O)CC2)nn1 1089903538 XLZCEOSNLUGISV-UHFFFAOYSA-N 317.353 -0.285 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(c2cc(C)ncn2)C[C@H]1O 1090408542 VBVHEVZRLSFDQT-JMSVASOKSA-N 306.366 -0.222 30 20 DBED C#CCN1CC[C@H](NC(=O)c2ccnc(N(C)C)c2)[C@H](O)C1 1090617323 UEOUNRYYWBOJFW-UONOGXRCSA-N 302.378 -0.054 30 20 DBED C=CCN1CC[C@@H](NC(=O)c2ccc(N(C)C)nn2)[C@H](O)C1 1090735132 UXUAPUJVLDNFJG-DGCLKSJQSA-N 305.382 -0.106 30 20 DBED N#Cc1cnc(NC2CC(CNC(=O)Cn3ncnn3)C2)cn1 1092241088 NABPVTHKAPVCOC-UHFFFAOYSA-N 313.325 -0.658 30 20 DBED C[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1CNC(=O)CNC(N)=O 1092322187 XJTZVDTXSNYZAL-NXEZZACHSA-N 317.353 -0.795 30 20 DBED CC(=O)NCC(=O)N1C[C@@H](C)[C@H](CNc2cnc(C#N)cn2)C1 1092628575 DMYZHHBWJDEVNX-ZYHUDNBSSA-N 316.365 -0.009 30 20 DBED C[C@@]1(CNC(=O)C(N)=O)CN(c2cccc(F)c2C#N)CCO1 1092775405 XUCXTSUABQCZPR-OAHLLOKOSA-N 320.324 -0.106 30 20 DBED N#Cc1nc(=NCCNC(=O)[C@H]2CCc3n[nH]cc3C2)cc[nH]1 1093760943 KWNYCYLTVGCRGZ-JTQLQIEISA-N 311.349 -0.174 30 20 DBED COCCCOCCC(=O)NCCN=c1cc[nH]c(C#N)n1 1093846228 VERZFZDCFKIMEI-UHFFFAOYSA-N 307.354 -0.259 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)c3cc(C)nn3C)CC2=O)C1 1094714384 VXZFQUYEEIMWTO-GFCCVEGCSA-N 317.393 -0.071 30 20 DBED C[C@]1(C(=O)NCCCNc2cnc(C#N)cn2)CCNC1=O 1094781084 QINFWVIMRGCFQI-CQSZACIVSA-N 302.338 -0.207 30 20 DBED CC#CCN1CC(N2C[C@H](NC(=O)[C@H]3OCC[C@H]3C)CC2=O)C1 1094787338 STIXMJXKFUCRTO-IOASZLSFSA-N 319.405 -0.164 30 20 DBED N#Cc1nc(=N[C@H]2CCN(C(=O)C(=O)NCC(F)F)C2)cc[nH]1 1096967007 IGKSLRJFOAXMQI-QMMMGPOBSA-N 324.291 -0.836 30 20 DBED CCS(=O)(=O)CC(=O)N[C@H]1C[C@H](Nc2cncc(C#N)n2)C1 1097032365 CDRICPTUARQESK-MGCOHNPYSA-N 323.378 -0.158 30 20 DBED CCC(=O)N[C@H](C)C(=O)N[C@H]1C[C@@H](N=c2cc[nH]c(C#N)n2)C1 1097262024 FYDNJKFERATTMY-MXWKQRLJSA-N 316.365 -0.256 30 20 DBED CC(=O)NC(C)(C)C(=O)NC[C@@H](C)N=c1cc[nH]c(C#N)n1 1097947159 NRTVHRCZHDYQEW-SECBINFHSA-N 304.354 -0.399 30 20 DBED Cn1cc(C(=O)N2CCC(N(CC#N)CCO)CC2)ccc1=O 1098418709 CQJOABXXEZUPRM-UHFFFAOYSA-N 318.377 -0.192 30 20 DBED C=CCCN1CC[C@@H](NC(=O)CCS(=O)(=O)NC)[C@@H](O)C1 1099832604 JWGYSJGYNXUSOL-NEPJUHHUSA-N 319.427 -0.947 30 20 DBED N#CCNC(=O)CN1CC[C@@H](NC(=O)CCC(F)F)[C@H](O)C1 1099919178 XUNMXJXQLXNAPG-NXEZZACHSA-N 318.324 -0.777 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)COCC(F)F)[C@@H](O)C1 1099934999 HNCDIJSCAOIGHD-NEPJUHHUSA-N 320.336 -0.531 30 20 DBED CC#CCCCC(=O)N[C@@H]1CCN(CCOCCO)C[C@@H]1O 1099961774 CJTHYSOQIZQTNG-CABCVRRESA-N 312.410 -0.260 30 20 DBED C#CCNC(=O)CC(=O)NCCN(C)c1ncncc1Cl 1100037508 CBAJEUHJZMRBAV-UHFFFAOYSA-N 309.757 -0.178 30 20 DBED CCNC(=O)NC(=O)CNC1CC(CNC(=O)[C@H](C)C#N)C1 1100191442 KQHDQXZFXSIHKP-KPPDAEKUSA-N 309.370 -0.524 30 20 DBED CCN(CCNC(=O)CN1CCCC1=O)c1nccnc1C#N 1100440759 KXKOYTRCPUZTPJ-UHFFFAOYSA-N 316.365 -0.087 30 20 DBED CCCN(CCNC(=O)[C@@H]1CCNC1=O)c1ccc(C#N)nn1 1101220973 YVLRBYRHGTZJSL-GFCCVEGCSA-N 316.365 -0.183 30 20 DBED CCN1CCO[C@H](C(=O)N(C)CCN=c2cc[nH]cc2C#N)C1 1101638153 MYAKZXHBZOPQML-HNNXBMFYSA-N 317.393 -0.034 30 20 DBED N#Cc1nc(=NCc2ccc(CNC(=O)C(N)=O)cc2)cc[nH]1 1103666307 QDOLYMICTIVDJQ-UHFFFAOYSA-N 310.317 -0.516 30 20 DBED CC(=O)NCC(=O)NCC[C@H]1CCCN1c1ccc(C#N)nn1 1103716382 MSFMLHKJAPCNPK-CYBMUJFWSA-N 316.365 -0.041 30 20 DBED C[C@H](CNC(=O)Cc1nc[nH]n1)CNc1nccnc1C#N 1104074619 CGUHYNARNAURCV-SECBINFHSA-N 300.326 -0.127 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)Cn1nccn1 1104110629 YJGNOWQVXGFGER-SNVBAGLBSA-N 300.326 -0.774 30 20 DBED C[C@@H](CN=c1cc[nH]cc1C#N)CNC(=O)[C@H]1C[C@H]1C(N)=O 1104209151 QYZJJZMXMAPAQH-WCQGTBRESA-N 301.350 -0.339 30 20 DBED C[C@@H](CNc1nccnc1C#N)N(C)C(=O)[C@@H]1CNC(=O)N1 1104784565 HGMPYTOIGQDZGY-WPRPVWTQSA-N 303.326 -0.712 30 20 DBED C=CCNCC[C@@H]1CN(C(=O)CS(=O)(=O)NC)C[C@H]1C 1105024603 BBNJCHSWPWNCTB-VXGBXAGGSA-N 303.428 -0.204 30 20 DBED CCNC(=O)CNCc1cn(C2CN(C(=O)[C@@H](C)C#N)C2)nn1 1105189309 BJUWZVVDXRPDFE-JTQLQIEISA-N 319.369 -0.953 30 20 DBED C=CCCOCC(=O)NC[C@@H](O)CNc1nccc(OC)n1 1105890532 SLJWUJYJVWDWAP-LLVKDONJSA-N 310.354 -0.033 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H](C)CCNc1ccc2nnnn2n1 1106443193 TWIJRHZMUHWLIZ-QWRGUYRKSA-N 317.353 -0.136 30 20 DBED CNC(=O)NCC(=O)N[C@@H](C)CCN=c1cc[nH]cc1C#N 1106615322 AUKFQSCKWXUDNB-JTQLQIEISA-N 304.354 -0.389 30 20 DBED C[C@@]1(C(=O)NC/C=C\CN=c2cc[nH]c(C#N)n2)CCNC1=O 1107508670 NIXHUSWJCNBZAM-GWQWAINWSA-N 314.349 -0.619 30 20 DBED Cc1cc(=NC[C@@H](C)NC(=O)[C@@H]2CN(C)CCO2)c(C#N)c[nH]1 1107666744 GRDPDNGLMRDKKI-DOMZBBRYSA-N 317.393 -0.069 30 20 DBED C[C@H](CNc1cncc(C#N)n1)NC(=O)[C@H]1CCC(=O)N1C 1108060931 SZVDNLBXBGJMBN-MWLCHTKSSA-N 302.338 -0.114 30 20 DBED C[C@]1(CNC(=O)[C@H]2CCNC(=O)CC2)CN(CC#N)CCO1 1108097119 BSAWLEFUHKEBHA-DOMZBBRYSA-N 308.382 -0.367 30 20 DBED CC#CCN1CC(N2C[C@@H](NC(=O)CCCOC)CC2=O)C1 1108513208 CWZUBQPWAVEKIT-ZDUSSCGKSA-N 307.394 -0.162 30 20 DBED C#CCCN1CC(N2C[C@H](NC(=O)[C@H](CC)OC)CC2=O)C1 1108517044 BEZAOIAAUWUOQM-OCCSQVGLSA-N 307.394 -0.164 30 20 DBED COCC1(C(=O)N[C@@H]2CC(=O)N(C3CN(CC#N)C3)C2)CCC1 1108556998 OUPVLBXWWGRZCQ-GFCCVEGCSA-N 320.393 -0.272 30 20 DBED C#CCOCCC(=O)N1C[C@H]2C[C@H](NCC(=O)NC)C[C@H]1C2 1108688253 WIPGDPHRBCBEFX-MELADBBJSA-N 307.394 -0.259 30 20 DBED C[C@@H](CN(C)c1cnc(C#N)cn1)NC(=O)[C@H]1CCNC(=O)C1 1108894091 AZMYRVNTHFIYFF-QWRGUYRKSA-N 316.365 -0.185 30 20 DBED C[C@@H](CN(C)c1cnc(C#N)cn1)NC(=O)c1cn(C)nn1 1108925553 WAKOGGQFQZNXDZ-VIFPVBQESA-N 300.326 -0.269 30 20 DBED C[C@@H](CN(C)c1cncc(C#N)n1)NC(=O)c1nnn(C)n1 1109181312 FJHVDPWLFWYYJN-QMMMGPOBSA-N 301.314 -0.874 30 20 DBED CCC(=O)NCC(=O)N[C@@H]1[C@H]2C[C@H]1N(c1cnc(C#N)cn1)C2 1109702918 UDSLRNNHHLGIHP-ZVWUFJHRSA-N 314.349 -0.432 30 20 DBED CNS(=O)(=O)CC(=O)NCC1(Nc2ccc(C#N)nc2)CC1 1110148448 BQVMNBJDPUKEKW-UHFFFAOYSA-N 323.378 -0.437 30 20 DBED CC1(CNC(=O)C(N)=O)CCN(c2ccnc(C#N)n2)CC1 1110892729 KELOWIZTTILSHK-UHFFFAOYSA-N 302.338 -0.444 30 20 DBED N#Cc1ccc(N2CC[C@@](O)(CNC(=O)[C@@H]3CCOC3)C2)nn1 1111043525 GVJZLJJACCFXRF-IAQYHMDHSA-N 317.349 -0.558 30 20 DBED N#Cc1nccnc1N1CC[C@@](O)(CNC(=O)[C@@H]2CCOC2)C1 1111044501 ZFBAYXDSKRCTNJ-IAQYHMDHSA-N 317.349 -0.558 30 20 DBED N#Cc1nc(=NCCN(CCO)C(=O)C[C@H]2CCCO2)cc[nH]1 1111432229 FFXHGLYYMZXYPC-GFCCVEGCSA-N 319.365 -0.428 30 20 DBED N#Cc1ccc(NCCN(CCO)C(=O)CCCC(N)=O)cn1 1111485851 NMKREXHWQMOIPC-UHFFFAOYSA-N 319.365 -0.158 30 20 DBED CC[C@H](C(=O)N(CCO)CCNc1ccc(C#N)nn1)N(C)C 1111492669 KUTASFXTLKXYCT-CYBMUJFWSA-N 320.397 -0.079 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1COCCN1c1cncc(C#N)n1 1111663268 SETSMTDDFFMQPI-CMPLNLGQSA-N 300.322 -0.171 30 20 DBED COC[C@H](C)C(=O)NC[C@@H]1COCCN1c1cncc(C#N)n1 1111666380 ZXADNBFIURFGHH-WCQYABFASA-N 319.365 -0.048 30 20 DBED CN(C)CCC(=O)NC[C@H]1COCCN1c1ccc(C#N)nn1 1111719499 OXUZWKMQWAIJGG-ZDUSSCGKSA-N 318.381 -0.379 30 20 DBED C[C@H](N=c1cc[nH]c(C#N)n1)[C@H](C)NC(=O)CN1CCOCC1 1112970692 GYUQUKSCDWZBPF-RYUDHWBXSA-N 318.381 -0.593 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)C2(COC)CC2)CC1 1113109147 TVXVZUMEXARGTD-CYBMUJFWSA-N 307.394 -0.305 30 20 DBED C[C@H]1OCC[C@@]1(C)C(=O)N1CCN(CC(=O)NCC#N)CC1 1113137583 ZJLXMOGRPNDYPB-IUODEOHRSA-N 308.382 -0.415 30 20 DBED C=CCOCCN1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)CC1 1113637638 VHBUGFMDCSOMPY-LBPRGKRZSA-N 317.411 -0.975 30 20 DBED C[C@@H]1CCN(c2ccc(C#N)nn2)C[C@H]1NC(=O)CNC(N)=O 1113998461 YJLQEQXWIXEKJN-MWLCHTKSSA-N 317.353 -0.652 30 20 DBED C=C(Cl)CN1C[C@H]2C(NC(=O)CCS(=O)(=O)NC)[C@@H]2C1 1114270612 IOZGQLIVMZYKGQ-NXEZZACHSA-N 321.830 -0.275 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)CCCN(C)C)[C@@H]2C1 1114743963 UBFFIJSHBUVQJX-CHWSQXEVSA-N 308.426 -0.323 30 20 DBED C#Cc1ccc(C(=O)NC2[C@H]3CN(CCOCCO)C[C@H]23)nc1 1115140074 QBIQDZRRKVNZAT-KBPBESRZSA-N 315.373 -0.268 30 20 DBED C[C@@H](CN(C)C(=O)Cn1cnnc1O)N=c1cc[nH]cc1C#N 1115687520 RWJXVSCDHQZESO-JTQLQIEISA-N 315.337 -0.369 30 20 DBED CC(=O)N[C@@H]1CCCN(C(=O)COC(=O)CSCC#N)C1 1115880668 PMUPXLJCPKDNMF-LLVKDONJSA-N 313.379 -0.087 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)N2CC[C@@](F)(C#N)C2)CCN1C1CC1 1118949353 ZJRABXLWKFINEF-SWLSCSKDSA-N 319.340 -0.351 30 20 DBED C[C@H](CN(C)C(=O)C[C@@H]1CCNC1=O)N=c1cc[nH]c(C#N)n1 1120192639 HFNYLIZJLXKHHY-MNOVXSKESA-N 316.365 -0.445 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)[C@H]2COCCO2)cn1 1121135584 FENKZDOPUJMFFN-CHWSQXEVSA-N 306.322 -0.742 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H](CO)Nc2ccc(C#N)nn2)cn1 1121848094 VIDQYKGSRFSPHS-AWEZNQCLSA-N 322.328 -0.073 30 20 DBED Cc1nc(N[C@@H](CO)CNC(=O)[C@@H](C)CC(N)=O)ccc1C#N 1122357091 SIXPJHZWTIMOOH-JOYOIKCWSA-N 319.365 -0.338 30 20 DBED Cc1nsc(N[C@@H](CO)CNC(=O)C2(C(N)=O)CC2)c1C#N 1122451421 IXKRWBFXBSNODE-MRVPVSSYSA-N 323.378 -0.522 30 20 DBED N#Cc1cnc(N[C@@H](CO)CNC(=O)Cc2cnc[nH]2)cn1 1122622055 NFDRBWAGDCVIJS-LLVKDONJSA-N 301.310 -0.797 30 20 DBED C[C@@H]1C[C@H](Nc2nccnc2C#N)CN1C(=O)CCNC(N)=O 1123230257 HKSQPKMWDAVVNU-ZJUUUORDSA-N 317.353 -0.192 30 20 DBED CCC(=O)NCC(=O)N(C)C[C@@H](O)CNc1ccc(C#N)cn1 1124186007 VFGCNRFZDRDHQT-LBPRGKRZSA-N 319.365 -0.289 30 20 DBED CN(C[C@H](O)CNc1ccc(C#N)nn1)C(=O)c1cocn1 1124199847 FOUZMILQUSJDEU-SNVBAGLBSA-N 302.294 -0.119 30 20 DBED CCS(=O)(=O)NCCNCCNC(=O)c1cc(C#N)c[nH]1 1125370292 LJXDNTMRGGQIJY-UHFFFAOYSA-N 313.383 -0.855 30 20 DBED C#CCO[C@@H](C)C(=O)NCCN[C@H](C)C(=O)NC(=O)NCC=C 1127052513 ZJWVRQVHQFUMNQ-NEPJUHHUSA-N 324.381 -0.869 30 20 DBED CC#CCNCc1ccncc1O[C@H]1CCN(C(=O)C(N)=O)C1 1127892248 HQLWVDJPGCHXMJ-ZDUSSCGKSA-N 316.361 -0.341 30 20 DBED CC(C)[C@@H](O)C(=O)N[C@H]1CCc2nnc(CNCC#N)n2CC1 1127983984 GMYUCPBAAQSKHW-SMDDNHRTSA-N 320.397 -0.271 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)CN(C)C(=O)C2CC2)C1=O 1128624387 ZTTKTFQBVDQZCA-ZDUSSCGKSA-N 322.409 -0.653 30 20 DBED C#CCOCCC(=O)N1C[C@@H](C)O[C@]2(CCN(CC(N)=O)C2)C1 1131662742 XHJHRTXVVKDWML-CJNGLKHVSA-N 323.393 -0.797 30 20 DBED CNS(=O)(=O)CCC(=O)N[C@H]1CC[C@@H](C)N(CC#N)C1 1132039257 XQBNTJGMICXCJM-MNOVXSKESA-N 302.400 -0.582 30 20 DBED C=CCCN1C[C@H](NC(=O)CNC(=O)CNC(C)=O)CC[C@@H]1C 1132131587 GRYPOTYHUNXSMF-GXTWGEPZSA-N 324.425 -0.216 30 20 DBED C#CCCNC[C@H]1CN(C(=O)c2nnc(O)nc2O)CC[C@H]1C 1132953443 FPEWSUBOHIZFEF-MNOVXSKESA-N 319.365 -0.006 30 20 DBED C=CCOCC(=O)N[C@H](C)C[C@H](C)NCC(=O)NC(N)=O 1133910320 YPGXUGMHSWICOC-VHSXEESVSA-N 300.359 -0.743 30 20 DBED C=CCN(CC=C)C(=O)CN[C@H](C)C[C@@H](C)NC(=O)CC(N)=O 1133985127 WMWHGPUFESTVFP-CHWSQXEVSA-N 324.425 -0.065 30 20 DBED C=CCn1cc(C(=O)NCCNCC(=O)N[C@H](C)C(C)C)nn1 1134970279 RGHQPMUEDCNGPA-GFCCVEGCSA-N 322.413 -0.056 30 20 DBED N#CCNC(=O)CN1CCC2(C1)CN(C(=O)Cc1ccco1)C2 1148472101 VYQPJBRBBZFZDK-UHFFFAOYSA-N 316.361 -0.004 30 20 DBED C=CCCN1CCCO[C@@H](CNC(=O)CN2C(=O)CCC2=O)C1 1150684965 DVNPVSZMUHHHJH-ZDUSSCGKSA-N 323.393 -0.081 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)[C@@H](C)CS(C)(=O)=O)C1 1150787633 NYRADWNAPINIGT-STQMWFEESA-N 316.423 -0.493 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)[C@@H]2CCN(C)C2=O)C1=O 1164296429 YTUBVIFYHAQADY-QWHCGFSZSA-N 322.409 -0.653 30 20 DBED C=CCNC(=O)CNCC1(CCNC(=O)Cc2nc[nH]n2)CC1 1167694473 MTSVUHYUCNAXDY-UHFFFAOYSA-N 320.397 -0.475 30 20 DBED C[C@H](CCCCNCC#N)NC(=O)C1CC2(C1)NC(=O)NC2=O 1175663133 AFTRVNXLOMZVHV-RWWNRMGGSA-N 321.381 -0.237 30 20 DBED C#CCNC(=O)CN1CCO[C@@H]2CCN(C(=O)C3CCC3)C[C@H]21 1176875905 KBYRUIFIWLJZIB-HUUCEWRRSA-N 319.405 -0.162 30 20 DBED CCc1cc(C(=O)N2CC[C@H](NCC(=O)NCC#N)[C@@H]2C)n[nH]1 1178143526 IUPMYLNWHGISEZ-JQWIXIFHSA-N 318.381 -0.196 30 20 DBED CCC(=O)N[C@@H](C)C(=O)N1CC[C@H](NCC(=O)NCC#N)[C@@H]1C 1178758415 UMCLTKXZAZOAIE-SRVKXCTJSA-N 323.397 -0.880 30 20 DBED C#CCCN[C@H]1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)[C@H]1C 1179735305 JZRHVMREWKPPCG-STQMWFEESA-N 318.377 -0.471 30 20 DBED C#CCNC(=O)CNC[C@@H]1CCN(C(=O)c2cc[nH]n2)C[C@H]1C 1183898947 NVQFFAAGOUNZCF-OLZOCXBDSA-N 317.393 -0.153 30 20 DBED CO[C@@H](C(=O)N1CC[C@@H](NCC(=O)NCC#N)C1)C1CCC1 1184654928 PZHJSXZYVXYDTR-TZMCWYRMSA-N 308.382 -0.368 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2cncc(C#C)c2)C1 1185558070 OPCOBXCDJZGFIM-OAHLLOKOSA-N 310.357 -0.384 30 20 DBED CN(CC(=O)NCC#N)[C@H]1CCN(C(=O)[C@H]2CCCCO2)C1 1189653743 YHDWQDAAXZFKES-QWHCGFSZSA-N 308.382 -0.272 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@H](N(C)CC(=O)N2CCC2)C1 1190094932 OSNCUANJAGCJIQ-KBPBESRZSA-N 307.394 -0.210 30 20 DBED COCC#CCN(C)[C@H]1CCN(C(=O)CO[C@@H]2CCOC2)C1 1190122028 VEWCJVKFOMXHAC-LSDHHAIUSA-N 310.394 -0.026 30 20 DBED C=CCCC(=O)N[C@@H]1CN(Cc2nc(N(C)C)no2)C[C@H]1O 1191622457 NFGPEVPBSOVYBQ-GHMZBOCLSA-N 309.370 -0.237 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@@H]1CCN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1191858604 BOCDJFMTIDPFCK-ZSAUSMIDSA-N 319.405 -0.451 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)CCC(=C)C)C1 1193377673 WTDIZQAVTHJEIJ-MGPQQGTHSA-N 307.394 -0.358 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCCN(C(=O)[C@@H](C)NC(C)=O)CC1 1194739131 KHGLIQNTIFUKFL-CHWSQXEVSA-N 324.425 -0.264 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)CCC(F)F)C1 1194745501 JHIUFCFKLQBNKV-HBNTYKKESA-N 317.336 -0.669 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC2(C)C)C1 1195518269 PWEWHHMRWCADAW-YNEHKIRRSA-N 309.410 -0.114 30 20 DBED C=CCOCC(=O)N1CCCO[C@H](CNCc2nncn2C)C1 1200108624 FWGVUFCNGSFXDH-CYBMUJFWSA-N 323.397 -0.275 30 20 DBED Cn1nc(C(=O)N2CCCO[C@H](CNCC#N)C2)ccc1=O 1201996902 CTOHCERPTKCYRD-LLVKDONJSA-N 305.338 -0.875 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)CN2CCCC2)CCCO1 1202048886 IQRVLSVOTXCXFO-MRXNPFEDSA-N 323.437 -0.061 30 20 DBED N#CCNC[C@H]1CN(C(=O)COC[C@@H]2CCCO2)CCCO1 1202243388 KWKCKYYHVMAHCR-KBPBESRZSA-N 311.382 -0.087 30 20 DBED C[C@@H]1CCO[C@@H]1C(=O)N1CCC(NCC(=O)NCC#N)CC1 1202547122 XLDMAFSFVHKPHM-RISCZKNCSA-N 308.382 -0.368 30 20 DBED N#CCNC(=O)CNC1CCN(C(=O)c2ccnnc2)CC1 1202644604 ZOVUAMDFVJNMKQ-UHFFFAOYSA-N 302.338 -0.689 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)c2[nH]nnc2C)CC1 1205839813 XCKJJIHOWIHHQG-UHFFFAOYSA-N 318.381 -0.696 30 20 DBED N#CCNC(=O)CN[C@H]1CCCN(C(=O)C[C@@H]2COC(=O)C2)C1 1207814698 XJQPMDGKMFDQBS-RYUDHWBXSA-N 322.365 -0.840 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC[C@@H](NCc2nnnn2C)C1 1208017254 AYKURMAWQPFYQU-VXGBXAGGSA-N 306.370 -0.671 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2cc(F)c[nH]2)[C@H](C)C1 1208019514 RJHZVPJUNIAOOW-ZWNOBZJWSA-N 306.341 -0.047 30 20 DBED C#CCOCCC(=O)N1CCC[C@@H](NCc2cn(C)nn2)C1 1208031880 GJKHRBYOPDHJOJ-CYBMUJFWSA-N 305.382 -0.064 30 20 DBED C=CCN1C[C@@H](NC(=O)CCS(=O)(=O)N(C)C)[C@H](C)C1 1211241574 LXGKHUGMEYGLTK-VXGBXAGGSA-N 303.428 -0.110 30 20 DBED CO[C@@H]1CN([C@@H](C)C(=O)NC(N)=O)C[C@H]1NC(=O)C#CC(C)C 1212244419 SMTSQUWVTVDWJD-QJPTWQEYSA-N 324.381 -0.955 30 20 DBED CO[C@@H]1CN([C@@H]2CCCNC2=O)C[C@H]1NC(=O)C#CC1CC1 1212246611 XAISGADZTRHCEU-MGPQQGTHSA-N 305.378 -0.506 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2ccns2)[C@H](OC)C1 1212344729 KBACBJXEWRTBPI-GHMZBOCLSA-N 322.390 -0.679 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)[C@H]2CCN(C)C2=O)C[C@H]1C 1215356354 XSLXFZFBVHDZEB-HZSPNIEDSA-N 307.394 -0.449 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2cccnn2)C[C@H]1C 1216036137 SZIJDFKUVSIVSB-YRGRVCCFSA-N 315.377 -0.335 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)CC2CCCCC2)C1 1219137161 BUVLFOWOSBUBJX-CABCVRRESA-N 321.421 -0.133 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)COCc2ccnc(O)c2)C1 1219875994 OMVQOAWYIDGOKY-OLZOCXBDSA-N 307.350 -0.349 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2CC23CCC3)C1 1220429899 CKNTVSNVBYWCCL-XQQFMLRXSA-N 307.394 -0.360 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)C[C@@H]2CCC(=O)N2)C1 1220528636 WWFWWBNUUQTWSO-XQQFMLRXSA-N 311.382 -0.981 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2cnnn2C)C[C@@H]1O 1221143606 KAECZOGHOLCXDH-UHTWSYAYSA-N 309.370 -0.933 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H]2CCN(C[C@H](C)O)[C@H]2C1 1222562334 DSSPJCRRBBMUEA-MJBXVCDLSA-N 307.394 -0.571 30 20 DBED Cc1nn(C)cc1C(=O)NC1CCN(CC(=O)NCC#N)CC1 1226608838 XCMLSXZYXALIDJ-UHFFFAOYSA-N 318.381 -0.438 30 20 DBED CC[C@H](F)C(=O)NCC[C@H]1CN(CC#N)CCS1(=O)=O 1230480282 AYERUHQQVXVWBT-QWRGUYRKSA-N 305.375 -0.137 30 20 DBED CN(C[C@@H]1CCN1CCS(C)(=O)=O)C(=O)CSCC#N 1230816104 XBNIZRVGHAEGIF-NSHDSACASA-N 319.452 -0.180 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCCO1 1233682410 DYLXIFJWLZUGIY-KGLIPLIRSA-N 307.394 -0.162 30 20 DBED C=CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)[C@H](C)n1cncn1 1233751798 PRYPAJQBKCRJPA-QWHCGFSZSA-N 320.397 -0.326 30 20 DBED CCn1nncc1C(=O)N(C)C[C@H]1CCN1CC(=O)NCC#N 1234100403 YQEQTHCTQXMQSU-LLVKDONJSA-N 319.369 -0.916 30 20 DBED CN(C[C@H]1CCN1CC#N)C(=O)CNC(=O)c1ccncc1 1234445098 JPDMCFUREQHKLG-CYBMUJFWSA-N 301.350 -0.132 30 20 DBED N#Cc1ncn(CC(=O)NCc2nc(-c3ccncc3)no2)n1 1253199928 FIHNJSRZOFCHDJ-UHFFFAOYSA-N 310.277 -0.089 30 20 DBED C=CCCCNC(=O)C(=O)NC[C@@H]1CC[C@@H](C(=O)N(C)C)O1 1261136836 RKBYOCLKPJUOAC-RYUDHWBXSA-N 311.382 -0.179 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)CCc2nnc(C)o2)CC1 1261909513 WIXQWFTVOOLEEB-UHFFFAOYSA-N 319.365 -0.796 30 20 DBED CCCNC(=O)CNC(=O)CCN/C(O)=C1/N=CC=CC1=O 1323392193 XUAYHCBPBTUPBE-YPKPFQOOSA-N 308.338 -0.455 30 20 DBED CC[C@H](C#N)NC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 1324007147 LVWRDJAWNRQWON-AXFHLTTASA-N 313.379 -0.560 30 20 DBED COC[C@@](C)(C#N)NC(=O)c1cc(S(N)(=O)=O)oc1C 1325108801 WZIUQVZTQCMXHQ-LLVKDONJSA-N 301.324 -0.106 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)Nc1ccc(-n2nccn2)nc1 1325616078 UHNLCEDQUXKGIH-JTQLQIEISA-N 316.321 -0.082 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2nc(C)n(C)n2)C1=O 1326286368 PNAKYLIACYDNKN-SNVBAGLBSA-N 320.353 -0.693 30 20 DBED C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](CC#N)C2)C[C@@H](CO)O1 1327394893 ZRPBUXKQMSCDSW-UPJWGTAASA-N 309.366 -0.253 30 20 DBED CCCN(C(=O)C(=O)N1CC[C@@](O)(CC#N)C1)[C@@H]1CCN(C)C1 1328445334 PSWQJABYKADYQD-CJNGLKHVSA-N 322.409 -0.194 30 20 DBED CC(=O)NCC(=O)N1CCc2cc(C(=O)NCC#N)ccc21 1328714618 PQDOFOOQUIGEIH-UHFFFAOYSA-N 300.318 -0.035 30 20 DBED CC(C)(C)n1nnc(CNC(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)n1 1329210228 BYGFNMOGELGUKX-VHSXEESVSA-N 319.369 -0.147 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)NCCOC2CCC2)CCN1C1CC1 1331025897 KLCLTVODGAEUCM-CYBMUJFWSA-N 320.393 -0.130 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC(n2cc(C(N)=O)nn2)CC1 1331704258 KTWSSCJOULCIRW-SNVBAGLBSA-N 305.338 -0.421 30 20 DBED C#CC1CCN(C(=O)C(=O)NCC(=O)N2CCCCC2)CC1 1332193099 DVLOBAWDAGFKFK-UHFFFAOYSA-N 305.378 -0.013 30 20 DBED CC(=O)N1C[C@H]2CN(C(=O)C(=O)N3CCC[C@H](C#N)C3)C[C@H]2C1 1338171812 HXPKKMKRFSRMNU-MCIONIFRSA-N 318.377 -0.315 30 20 DBED N#CCCNC(=O)C(=O)Nc1cc(-n2cnnn2)ccc1F 1339408579 WQKZGGRLSVXFLJ-UHFFFAOYSA-N 303.257 -0.230 30 20 DBED C#CCNCC(=O)NCc1ccc([C@]2(C)NC(=O)NC2=O)cc1 1340033398 KOWDRXYQHKTDLX-INIZCTEOSA-N 314.345 -0.420 30 20 DBED Cc1c(C(=O)[C@@H](C#N)C(=O)NC2CC2)nnn1-c1ccn(C)n1 1341821113 LXAYLLQVCVSRMB-SNVBAGLBSA-N 313.321 -0.090 30 20 DBED C#C[C@H](CCC)NC(=O)C(=O)Nc1ccn(CC(=O)N(C)C)n1 1343601240 IDFJUNDLDRXPMO-LLVKDONJSA-N 319.365 -0.172 30 20 DBED Cn1c(=O)[nH]c(NCC(=O)NC2CCCCC2)c(C#N)c1=O 1363730784 MAPZIJGVZVCBCU-UHFFFAOYSA-N 305.338 -0.194 30 20 DBED N#Cc1cn(CC(=O)N2CCC[C@@H]2C2OCCO2)c(=O)nc1O 1363802841 CJUUZVWJNKNERO-SNVBAGLBSA-N 320.305 -0.816 30 20 DBED N#CCc1ccnc(NC(=O)N2CCC(O)(C(N)=O)CC2)c1 1364160450 BNMDLCCLOWOYHN-UHFFFAOYSA-N 303.322 -0.008 30 20 DBED C[C@H](C#N)C(=O)NCCN1CCN(Cc2nncn2C)CC1 1365955111 FTKSTHPIGQUDGX-GFCCVEGCSA-N 305.386 -0.791 30 20 DBED C[C@@H](C#N)C(=O)NC[C@]1(C)CCN(C(=O)C2(NC(N)=O)CC2)C1 1390271206 CYRNQPXQJYWPJJ-HZMBPMFUSA-N 321.381 -0.298 30 20 DBED COCCc1noc(CN2CC(O)(CNC(=O)[C@H](C)C#N)C2)n1 1393305464 RVNKRTZGONGSOA-SNVBAGLBSA-N 323.353 -0.919 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CN(C)C(=O)c1ccc(O)nc1 1396050461 JWASIZSAWLWPNT-ONGXEEELSA-N 306.322 -0.504 30 20 DBED C[C@@H](C#N)C(=O)NC1CN(C(=O)[C@H]2CCc3nnn(C)c3C2)C1 1398676394 APDVVGNYLHQBEU-UWVGGRQHSA-N 316.365 -0.593 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1cnn2ncccc12 1399846226 HPGXMOWRCQMAEN-ZJUUUORDSA-N 316.321 -0.904 30 20 DBED Cc1cc(CC(=O)NCCn2cc(C#N)c(O)nc2=O)no1 1413311933 RBQSRUJLEORHEB-UHFFFAOYSA-N 303.278 -0.524 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCN1CCN(Cc2cnon2)CC1 1418911693 GVQKDYZVGCLHFX-LBPRGKRZSA-N 306.370 -0.195 30 20 DBED C=C(Br)CN1CC(NC(=O)CS(C)(=O)=O)C1 1418964864 ANCDBVZIFHGXDN-UHFFFAOYSA-N 311.201 -0.260 30 20 DBED C[C@H](C#N)C(=O)N(C)CCNC(=O)[C@H]1CCCS1(=O)=O 1431281142 JJDVVXSAYAYZOW-NXEZZACHSA-N 301.368 -0.702 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1cnn(C)c1Cl 1431571393 RYUFBHDECHWDMV-HTQZYQBOSA-N 313.745 -0.560 30 20 DBED N#Cc1cn(CC(=O)N2CC[C@@H](n3cccn3)C2)c(=O)nc1O 1450435148 WALVVJPZCBGTNX-LLVKDONJSA-N 314.305 -0.509 30 20 DBED CNC(=O)NCC(=O)N[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 1453550878 DQJDWOUTMOVWIR-SNVBAGLBSA-N 318.337 -0.854 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2ccc(O)nc2)C1 1480623301 IGVKXOHMPHQIDC-LBPRGKRZSA-N 302.334 -0.659 30 20 DBED CC[C@H](CNC(=O)CN1CCC(=O)NC1=O)NC(=O)[C@@H](C)C#N 1499372302 OBXWFVZVKRXAMZ-VHSXEESVSA-N 323.353 -0.901 30 20 DBED C[C@H](CNC(=O)c1cc(C#N)c[nH]1)N(C)Cc1nnn(C)n1 1505894511 RJHWYBMXZIFWJW-SECBINFHSA-N 302.342 -0.340 30 20 DBED CCCn1nccc1C(=O)NC[C@@H](O)CNC(=O)[C@@H](C)C#N 1533276053 LINUGLYEXKQNQR-QWRGUYRKSA-N 307.354 -0.340 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)CC2CCOCC2)C1 1566762153 LEULRDFKYOSTMN-AWEZNQCLSA-N 307.394 -0.257 30 20 DBED C#CCNC(=O)CN1CCC[C@H](NC(=O)C2(COC)CC2)C1 1567776274 WRIBCFREALSLSJ-ZDUSSCGKSA-N 307.394 -0.257 30 20 DBED C[C@@H](CCS(C)(=O)=O)Nc1cnc(C#N)c(-c2nn[nH]n2)n1 1574694485 PSOFCFDPQOKEKS-ZETCQYMHSA-N 322.354 -0.237 30 20 DBED CCN(C)C(=O)[C@H](C)Nc1cnc(-c2nn[nH]n2)c(C#N)n1 1577844207 FGVOWGRTKQMJAO-ZETCQYMHSA-N 301.314 -0.193 30 20 DBED CO[C@H]1COCC[C@H]1N(C)c1cnc(C#N)c(-c2nn[nH]n2)n1 1579618950 NMOQZTXUDPLDGM-ZJUUUORDSA-N 316.325 -0.232 30 20 DBED N#Cc1ccccc1S(=O)(=O)N[C@H]1CC(=O)N(C2CNC2)C1 1580080617 YTTBSIKIPIYIIZ-NSHDSACASA-N 320.374 -0.591 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCC[C@@H]1CC(=O)O)[C@@H]1CCCO1 1588371082 VLWXKVUIUQRODQ-WOPDTQHZSA-N 308.334 -0.251 30 20 DBED C=CCOC[C@H](NC(=O)c1ccc(-c2nn[nH]n2)cn1)C(=O)O 1588859255 FRCWGQCLXGQXKN-JTQLQIEISA-N 318.293 -0.353 30 20 DBED C[C@@H](C(=O)NC1(C#N)CCCC1)n1cnc(-c2nn[nH]n2)n1 1588970268 FVUNKQAZZXZJNR-QMMMGPOBSA-N 301.314 -0.028 30 20 DBED COC(=O)CN(CC#N)S(=O)(=O)c1cccnc1C(=O)O 1598860432 AIFFHFXVTFVKNI-UHFFFAOYSA-N 313.291 -0.533 30 20 DBED N#CCNC(=O)CNS(=O)(=O)C1CCC(C(=O)O)CC1 1601074469 ACNSAMGWDKAKGT-UHFFFAOYSA-N 303.340 -0.811 30 20 DBED N#Cc1ncn(CC(=O)N[C@H](C(=O)O)c2ccc(O)cc2)n1 1601135009 GCARCYWQSNQCMI-LBPRGKRZSA-N 301.262 -0.203 30 20 DBED C#CCSCCNC(=O)N1CCO[C@](COC)(C(=O)O)C1 1602704568 LDXYHHACHJREHJ-CYBMUJFWSA-N 316.379 -0.136 30 20 DBED N#Cc1ncc(NCCNc2ncccn2)nc1-c1nn[nH]n1 1606398127 NGWSNDWASUFVHM-UHFFFAOYSA-N 309.297 -0.158 30 20 DBED CC(=O)NC[C@@H]1CN(c2ccc(C(=O)O)nc2C#N)CCO1 1609621331 ATWNYSRPYYAMHZ-SNVBAGLBSA-N 304.306 -0.007 30 20 DBED CCN(CCCNC(=O)c1cnnc(C)c1)CC(=O)NCC#N 1752180162 DCFNZZOJEAZLFG-UHFFFAOYSA-N 318.381 -0.133 30 20 DBED N#CCNC(=O)CN(CCCNC(=O)c1cnn[nH]1)C1CC1 1752266236 DREZATOXRHJPRV-UHFFFAOYSA-N 305.342 -0.971 30 20 DBED CC(C)C#CC(=O)NCCCN1CCN([C@H](C)C(N)=O)CC1 1752344329 YYBFUQCXOAMHQR-CQSZACIVSA-N 308.426 -0.357 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H](C)CNC(=O)Cc1c(C)n[nH]c1C 1752917198 HIQLUBBIZSKHTM-MFKMUULPSA-N 319.409 -0.199 30 20 DBED C#CCNC(=O)[C@H](C)N(CC)CCNC(=O)c1ccc(C)nn1 1753081728 QHYGJNRMGOLKEI-ZDUSSCGKSA-N 317.393 -0.025 30 20 DBED C#CCNC[C@@H]1CCC[C@@H]1NC(=O)CN1CCCS1(=O)=O 1753886420 ANAYSNFRBRRJLO-STQMWFEESA-N 313.423 -0.470 30 20 DBED C[C@H](C(=O)N[C@H](C)CNCC(=O)NCC#N)c1cccnc1 1754248939 CMVBTRDDKHNQAC-NEPJUHHUSA-N 303.366 -0.081 30 20 DBED CC(C)C#CC(=O)N[C@@H](C)CNCC(=O)NC[C@H]1CCOC1 1754266045 FUVIFRQALSMNHK-UONOGXRCSA-N 309.410 -0.107 30 20 DBED C[C@@H](CNCC(=O)NC(=O)NC1CC1)NC(=O)C#CC1CC1 1754266538 XMBUPPNWIMWKRR-JTQLQIEISA-N 306.366 -0.518 30 20 DBED C#Cc1ccc(C(=O)N(C)C2CN(CCOCCO)C2)cn1 1754584947 PRAKESQRMKQRNS-UHFFFAOYSA-N 303.362 -0.172 30 20 DBED COCC#CCN1[C@H]2CC[C@H]1CN(C(=O)[C@H]1CNC(=O)N1)CC2 1754659199 HPBNVDDGYZQAAM-MELADBBJSA-N 320.393 -0.617 30 20 DBED C#CCCN1CC[C@@H](N2CCN(C(=O)[C@H](C)CC(N)=O)CC2)C1 1754662891 IREREFNSTAKFRD-HUUCEWRRSA-N 320.437 -0.260 30 20 DBED CC#CCN1CC[C@](O)(CNC(=O)c2cc(OC)n(C)n2)C1 1754752879 SDXFTQJESWJYCW-HNNXBMFYSA-N 306.366 -0.381 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@@H]1CN(C(=O)C#CC2CC2)CCO1 1755002496 SCEQPQCWXDNRIR-DZGCQCFKSA-N 317.389 -0.645 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@H]1COC2(C1)CN(CC#CCOC)C2 1755059188 OQJMUUJJVKIGEG-ZBFHGGJFSA-N 322.405 -0.077 30 20 DBED C#CCNC(=O)CN[C@H](C)[C@@H](C)NC(=O)c1cnc(C)nc1C 1755260768 UZMAWQARYGDBRN-GHMZBOCLSA-N 317.393 -0.061 30 20 DBED CS(=O)(=O)NCCC(=O)NC[C@@H]1CCCCCN1CC#N 1755364544 WGGDIGHKPBAIBM-LBPRGKRZSA-N 316.427 -0.190 30 20 DBED C#CCOCCC(=O)N[C@H]1CN(CC(=O)NCC)CC1(C)C 1755407880 OSIKXLYKMVXUNX-ZDUSSCGKSA-N 309.410 -0.011 30 20 DBED CCn1cc(C(=O)NC[C@H]2[C@@H]3CN(CC#CCOC)C[C@H]23)nn1 1755430861 SRKGTGHMQAQZSJ-ZSOGYDGISA-N 317.393 -0.145 30 20 DBED C#CCCN(C)C1CCN(C(=O)CN2CCOCC2=O)CC1 1755530675 KZXLYHIEHQFSLV-UHFFFAOYSA-N 307.394 -0.209 30 20 DBED C#CCN1CCC(C(=O)NC[C@@H](CO)NCc2ccon2)CC1 1755647605 NKTDKOBOUHEACT-HNNXBMFYSA-N 320.393 -0.414 30 20 DBED C#CCOCCC(=O)NCC1=CCN([C@@H](C)C(=O)NC)CC1 1755886545 LAHBETHZGAUIHW-ZDUSSCGKSA-N 307.394 -0.091 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1CC(NC(=O)c2ncn(C)n2)C1 1755933636 AVUMGMMXGKIJAE-QKFMDRJYSA-N 321.381 -0.233 30 20 DBED C[C@H](C#N)C(=O)N(C)CCOCCNC(=O)c1ccncn1 1756379673 FSPKJVWNNLISAW-LLVKDONJSA-N 305.338 -0.159 30 20 DBED C=CCCC(=O)NC[C@H](CO)NC(=O)[C@@H]1CC(=O)N(CC)C1 1756518601 KEBYUINSRWMLHK-VXGBXAGGSA-N 311.382 -0.586 30 20 DBED CC(C)C#CC(=O)NC[C@@H](O)CN(C)C(=O)[C@@H]1CC(=O)N(C)C1 1756667206 OWGGWFFVZIPONA-CHWSQXEVSA-N 323.393 -0.940 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(C)[nH]1)C2 1800450533 ACSWVKNKXUJVKZ-GNXNZQSNSA-N 302.334 -0.445 30 20 DBED N#Cc1ccc(OC[C@@H](O)CN2CCN(CC(N)=O)CC2)cc1 54978412 FXPYNVRQFNSONX-AWEZNQCLSA-N 318.377 -0.599 30 20 DBED C#CCNC(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 102544262 WALXAPYZPJWKGP-UHFFFAOYSA-N 316.365 -0.552 30 20 DBED C[C@@H]1CN([C@H](C(N)=O)c2ccc(C#N)cc2)C[C@@H](C(N)=O)O1 122132044 VDTCZGBMJFJCPR-ICCXJUOJSA-N 302.334 -0.341 30 20 DBED Cn1c(N[C@H](CO)Cc2ccccc2)c(C#N)c(=O)n(C)c1=O 127843266 RFRZXBHCYISFKI-LBPRGKRZSA-N 314.345 -0.029 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(CCOCCOC)c1=O 183241625 BDMCKPOGYMBLKE-UHFFFAOYSA-N 311.338 -0.793 30 20 DBED C/N=C(/NC)N1CCN(S(=O)(=O)CCOC(C)C)CC1 261749977 LSWGSKNEMDIPCW-UHFFFAOYSA-N 306.432 -0.436 30 20 DBED C#CCN/C(=N/C)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 261959856 JVCOWOSYDMGMAE-AWEZNQCLSA-N 305.426 -0.177 30 20 DBED C#CCN/C(=N\C)NCCS(=O)(=O)N1CCSCC1 262764478 FNBHNUQMSVPHJK-UHFFFAOYSA-N 304.441 -0.837 30 20 DBED N#Cc1ncccc1S(=O)(=O)N[C@H]1CC(=O)N(C2CC2)C1 277296373 ZYGNMXGXOLTHOP-VIFPVBQESA-N 306.347 -0.005 30 20 DBED N#CC1(CS(=O)(=O)N[C@H](CCCC(=O)O)C(=O)O)CC1 278829777 YPKCNCAVWDSIEH-MRVPVSSYSA-N 304.324 -0.082 30 20 DBED C#C[C@H](NC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)C(C)C 281921421 HAFRPCABTDTXNF-AXMVNOCNSA-N 304.346 -0.077 30 20 DBED CC(=O)N[C@H](C(=O)NCCn1cnc(C#N)n1)C1CCCC1 286094551 ANZIAPSPAOSPFW-ZDUSSCGKSA-N 304.354 -0.039 30 20 DBED N#Cc1ccc(S(=O)(=O)N(CCO)CC(=O)O)cc1F 291854091 JARFFGOQOATAJP-UHFFFAOYSA-N 302.283 -0.235 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C)Cn2cccn2)C1=O 299536913 OGXPBRWJDGTOGC-JTQLQIEISA-N 319.321 -0.635 30 20 DBED CN1C[C@H](/N=C(/O)N[C@H]2CCO[C@@H]2c2nccn2C)CC1=O 328974338 CJGZZEFFDHAXDK-SCVCMEIPSA-N 307.354 -0.016 30 20 DBED CCN1CCN(/C(O)=N/[C@@H]2CCCS(=O)(=O)C2)CC1=O 329844588 OJWMZLOYOSKDHU-SNVBAGLBSA-N 303.384 -0.358 30 20 DBED CCN1CCN(CC(O)=Nc2cc(C)cn(C)c2=O)C(=O)C1=O 330121068 JJTWITHVRNRRTB-UHFFFAOYSA-N 320.349 -0.028 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N[C@H](C)CN1CCN(C)CC1 330393608 QMCPGCKRJISTLT-QWHCGFSZSA-N 317.459 -0.452 30 20 DBED Cc1nc(C(=O)N[C@@H](CO)CN2CCOCC2)ccc1C#N 330439946 CWCIRHWLBNTBMJ-CYBMUJFWSA-N 304.350 -0.315 30 20 DBED COC(=O)C(C)(C)CS(=O)(=O)N1CCN(CC#N)CC1 330845805 ZSRKFENEIHUZKB-UHFFFAOYSA-N 303.384 -0.343 30 20 DBED N#C[C@H]1CN(S(=O)(=O)NCc2cccc(C(N)=O)c2)CCO1 336916029 MESSSDMDFDPIHB-LBPRGKRZSA-N 324.362 -0.656 30 20 DBED COC(=O)C[C@H]1CN(S(=O)(=O)N(C)C[C@H](C)C#N)CCO1 336937882 HBRNRQFMXUSWJD-MNOVXSKESA-N 319.383 -0.413 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CCS(=O)(=O)C[C@H](C)C1 337176562 JLGIVTHYBHQGDI-LLVKDONJSA-N 323.440 -0.167 30 20 DBED C[S@@](=O)C1(CNS(=O)(=O)N2CCO[C@@H](C#N)C2)CCC1 337206247 MCTWGANEPXQAOG-APBUJDDRSA-N 321.424 -0.654 30 20 DBED C=CCNC(=O)CNS(=O)(=O)c1ccc(C)c(C(N)=O)c1 346563996 LKTOLQVABMAJHL-UHFFFAOYSA-N 311.363 -0.326 30 20 DBED COC(=O)[C@H]1CC12CCN(C(=O)NCC(=O)NCC#N)CC2 358297791 RHGOFIUGBBSRFM-SNVBAGLBSA-N 308.338 -0.389 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(C)c2nnc(C)s2)C1=O 427728348 VDSJQCCOTJUAHZ-UHFFFAOYSA-N 323.334 -0.214 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@H](CO)[C@@H]2C)C1=O 427845278 XEDJNSHBGPRNDN-VHSXEESVSA-N 309.322 -0.808 30 20 DBED N#Cc1ccc(NCC(=O)NC[C@@H](O)CN2CCCCC2)nc1 450234648 UHPGLOGOWLUQCX-CQSZACIVSA-N 317.393 0.328 30 20 DBED C[C@H](Oc1ccc(C#N)cc1)C(=O)NCC(=O)N1CCNCC1 559142910 RYTMHIBUHADBKK-LBPRGKRZSA-N 316.361 -0.126 30 20 DBED CO[C@@H]1COC[C@H]1NC(=O)C(=O)N1CCc2ccc(C#N)cc21 563102239 YVBHLGYCHDRGOU-TZMCWYRMSA-N 315.329 -0.023 30 20 DBED C=CCC[C@H]1NC(=O)N([C@H]2CCN(S(C)(=O)=O)C2)C1=O 567999241 LYGZEABCLCQYSU-VHSXEESVSA-N 301.368 -0.093 30 20 DBED CCOC(=O)Cn1ccc(NC(=O)N2CCO[C@@H](C#N)C2)n1 594187267 URCJOIXMUXOPDB-JTQLQIEISA-N 307.310 0.202 30 20 DBED N#Cc1ccc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1 594874752 SSELBOCRKFXCAH-YPMHNXCESA-N 320.374 -0.509 30 20 DBED Cc1cccc(NC(=O)C(=O)NCCN2CC[C@@H](O)C2)c1C#N 600071368 ZQNIVCYHAAXMGZ-GFCCVEGCSA-N 316.361 -0.012 30 20 DBED CCN(CCCN(C)C)C(=O)C(=O)N1CCN(CCC#N)CC1 601471195 URIZXOFDONPNLY-UHFFFAOYSA-N 323.441 -0.156 30 20 DBED N#CCCN1CCN(C(=O)C(=O)N2CCC(CCO)CC2)CC1 601531387 CMUQUQZGEVJMMM-UHFFFAOYSA-N 322.409 -0.335 30 20 DBED C[C@@H](O)C(=O)N1CCN(C(=O)Nc2nn(C)cc2C#N)CC1 611228310 KLVZVWFUMCDSQT-SECBINFHSA-N 306.326 -0.651 30 20 DBED CS(=O)(=O)c1ccc(S(=O)(=O)NC2(C#N)CC2)cn1 619507434 SDAWCVDLWLYJFA-UHFFFAOYSA-N 301.349 -0.180 30 20 DBED C=CCCn1cc(C(=O)N(C)CC(=O)N2CCN(C)CC2)nn1 636316639 SWODEDKLWRYJIJ-UHFFFAOYSA-N 320.397 -0.300 30 20 DBED CC#CC[C@@H](CO)NC(=O)C(=O)Nc1cc(N(C)C)ncn1 646950640 DQABHWGXMKPRII-JTQLQIEISA-N 305.338 -0.628 30 20 DBED CC#CC[C@@H](CO)NC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C 649184108 CLLSNPUCGCMZSN-QWRGUYRKSA-N 304.412 -0.159 30 20 DBED C=CCCOCCNC(=O)N1CCN(CC(=O)N(C)C)CC1 677483316 GNGIEXIIQJMLBT-UHFFFAOYSA-N 312.414 -0.006 30 20 DBED C#CCCN1CCC(NC(=O)CNS(=O)(=O)CC)CC1 759148580 SIBIUYSINWUWRN-UHFFFAOYSA-N 301.412 -0.470 30 20 DBED C=CCNC(=O)COC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C 770116899 UDLVHHVPAAESCW-SNVBAGLBSA-N 306.384 -0.204 30 20 DBED COC[C@H](NS(=O)(=O)c1cc(C#N)ccc1Cl)C(N)=O 772865450 BLXZTBSUWPFJPB-VIFPVBQESA-N 317.754 -0.010 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C[C@H]1SC(=N)NC1=O 783618036 JIRLTJBCNAVMRE-SSDOTTSWSA-N 305.381 -0.740 30 20 DBED C#CCOCCOC(=O)C1CCN(S(=O)(=O)NC)CC1 797151900 VOQMVSNNFMBWCV-UHFFFAOYSA-N 304.368 -0.644 30 20 DBED C=C[C@@H](C)ONC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C 846551760 XDBSKBXJRFQEAH-MRVPVSSYSA-N 306.322 -0.188 30 20 DBED C#Cc1cccc(CNC(=O)C(=O)NC[C@@H]2COCCN2)c1 861733671 YUQHLZJNNVWKGT-CQSZACIVSA-N 301.346 -0.611 30 20 DBED C#Cc1ccc(C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)cc1 895661784 KHMCGANMPLWSTA-UHFFFAOYSA-N 324.344 -0.361 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)CC(=O)N1CCC(C(=O)O)CC1 909203567 GQXOXAACILCEBC-NSHDSACASA-N 310.350 -0.194 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)c2cc(C(N)=O)cn2C)C1 938352158 YRSASCDJWZFXRO-ONGXEEELSA-N 317.349 -0.386 30 20 DBED C[C@@H](C#N)C(=O)N1CCCN(C(=O)[C@@H]2CCNC(=O)C2)CC1 940734799 WSSFPVSSIHSMRX-NWDGAFQWSA-N 306.366 -0.267 30 20 DBED CO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1NC(=O)c1ncccc1O 941601327 SLQKWJDLNBHILQ-CKYFFXLPSA-N 318.333 -0.098 30 20 DBED O=C1NC[C@@H](C(=O)NC[C@H]2CCCN2C(=O)C#CC2CC2)N1 944008049 ACUZIZPPAAYKSS-NEPJUHHUSA-N 304.350 -0.812 30 20 DBED CN(C(=O)C[C@@H]1NC(=O)NC1=O)[C@@H]1CCCN(CC#N)CC1 948444557 FDQKZJSCPWUDLV-MNOVXSKESA-N 307.354 -0.579 30 20 DBED CC#CCN1CCC[C@H](N(C)C(=O)CN2CCNC(=O)C2)CC1 948673996 NGSHZYJPOTXDHY-HNNXBMFYSA-N 320.437 -0.246 30 20 DBED C=C(C)CN1CCN(C(=O)[C@H]2CCN(C)S2(=O)=O)CC1 951699708 LPIAJVJDHVZAHZ-GFCCVEGCSA-N 301.412 -0.259 30 20 DBED C#Cc1cncc(C(=O)NC[C@@H]2CCN2C(=O)c2cn(C)nn2)c1 952012276 NOYSUMMEWNJQOL-ZDUSSCGKSA-N 324.344 -0.164 30 20 DBED C#CCOc1ccc(C(=O)N2CC(N(C)C(=O)C(N)=O)C2)cc1 955162756 WRIXZCOIRFKMIX-UHFFFAOYSA-N 315.329 -0.533 30 20 DBED C[C@H](C#N)C(=O)N1CC(N(C)C(=O)c2ccc(C(N)=O)[nH]2)C1 955355371 MTXQIWIHYKHKPK-MRVPVSSYSA-N 303.322 -0.444 30 20 DBED CC#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cn3c(n2)COCC3)C1 958179634 PWFHDEAHJVAIDV-GXTWGEPZSA-N 318.377 -0.541 30 20 DBED C=CCN1C[C@H](O)[C@H](CNC(=O)c2cc3n(n2)CCCO3)C1 958255457 YMMMNWHEIAMIDT-YPMHNXCESA-N 306.366 -0.126 30 20 DBED COc1cc(C(=O)NC[C@H]2CN(CC#N)C[C@@H]2O)cc(C)n1 958334770 QBUBFJNGIAZYBT-STQMWFEESA-N 304.350 -0.055 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cc2cc[nH]n2)C1 958772873 RBPWMXTVIWLIPE-USWWRNFRSA-N 305.338 -0.858 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1[C@@H]2CN(Cc3cn(C)nn3)C[C@@H]21 961815296 NRASCSRQUMYBTN-MRLBHPIUSA-N 317.393 -0.047 30 20 DBED Cc1nn(C)cc1C(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1O 961931365 ICGWAFAYEGDDOE-AXTRIDKLSA-N 305.338 -0.810 30 20 DBED CN(C(=O)c1nnc(O)nc1O)C1CCC(NCC#N)CC1 963633305 RGJLGTOXMKHEAB-UHFFFAOYSA-N 306.326 -0.221 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](NC(=O)Cn2cnnn2)C(C)(C)C1 966959490 HNFSWJALFZWOCX-MNOVXSKESA-N 319.369 -0.424 30 20 DBED C=C(C)C(C)(C)C(=O)N1CCN(C2CN(C(=O)C(N)=O)C2)CC1 967231852 HTHUBMUQXGXAHN-UHFFFAOYSA-N 322.409 -0.571 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(CC1)CN(C(=O)CC(N)=O)CCO2 967689580 POKQDDJWEHVJRC-NSHDSACASA-N 322.365 -0.759 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CC[C@H]1CN2CC(=O)NC 971476430 ZDIPAYZIVVBCJR-ILXRZTDVSA-N 318.421 -0.495 30 20 DBED CN1CCO[C@H](C(=O)N(C)C[C@@H]2CCN2C(=O)C#CC2CC2)C1 977530919 ZIANXXSHMSFXRG-GJZGRUSLSA-N 319.405 -0.210 30 20 DBED C#CCN(C)C1CCN(C(=O)[C@H]2COCCN2C(C)=O)CC1 985800241 YQJWADSKIDHLBR-OAHLLOKOSA-N 307.394 -0.210 30 20 DBED C=CCN[C@@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)[C@H]1C 987357692 ZQCDVPTZAZJLKJ-VHSXEESVSA-N 302.338 -0.204 30 20 DBED CN1CC[C@@H](C(=O)NC2CN(C(=O)c3cc(C#N)c[nH]3)C2)C1=O 997917228 PGWDTSNVOIHDLX-NSHDSACASA-N 315.333 -0.695 30 20 DBED C#CCN1CC[C@@H](n2cc(CNC(=O)c3cnsn3)nn2)C1 999956125 OBZREAXHPYMFFD-LLVKDONJSA-N 317.378 -0.060 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)Cn2cncn2)C1 1000114833 FCTBUXAKSPAERZ-NEPJUHHUSA-N 305.338 -0.804 30 20 DBED C[C@H](C#N)C(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)C(N)=O)CC1 1001875358 BNQOZALIJLLWCS-JLLWLGSASA-N 322.365 -0.856 30 20 DBED COCCn1ccc(C(=O)NCC2CN(C(=O)[C@@H](C)C#N)C2)n1 1003416085 LKRVBKLXZKTAAJ-NSHDSACASA-N 319.365 -0.123 30 20 DBED C#Cc1ccc(C(=O)NCC2CN(C(=O)c3cnon3)C2)cn1 1003471669 NSNUOZPCAHIOQG-UHFFFAOYSA-N 311.301 -0.052 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CCN(Cc2nnn(C)n2)CC1 1003649110 GKYDEDFNJLQQTD-OLZOCXBDSA-N 320.397 -0.118 30 20 DBED N#CCN1CCC[C@@H](NC(=O)Cn2nc3ccccn3c2=O)C1 1008123575 YXSAYDPDSWMDGP-GFCCVEGCSA-N 314.349 -0.400 30 20 DBED C[C@H](C#N)C(=O)N1CCCC2(C1)CN(C(=O)[C@H]1CNC(=O)N1)C2 1010818827 XWYBJNYNSYYBOR-GHMZBOCLSA-N 319.365 -0.722 30 20 DBED N#Cc1c[nH]c(C(=O)NC2[C@@H]3CN(C(=O)Cn4cccn4)C[C@@H]23)c1 1012918181 HRWSTJSHNLPYLI-VXGBXAGGSA-N 324.344 -0.030 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2n[nH]c(C)n2)C1 1014780089 PCHILTOPINTDSU-KBPBESRZSA-N 316.409 -0.099 30 20 DBED C#CCCN1CCC2(CC1)C[C@H]2NC(=O)CN1CCNC(=O)C1 1016760622 ACZYXEZDPTVJBP-CQSZACIVSA-N 318.421 -0.588 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC34CC4)C[C@H]2O)c[nH]1 1023465963 LCIPBJIAUXHHAE-JHJVBQTASA-N 314.345 -0.012 30 20 DBED CC#CCN1CCC[C@@H](CNC(=O)c2cn(CC(N)=O)nn2)C1 1023763369 LBMMTCIRUHKMCF-LBPRGKRZSA-N 318.381 -0.772 30 20 DBED C=CCn1cc(C(=O)N(C)[C@@H]2CCN([C@@H]3CCNC3=O)C2)nn1 1033483592 JUVURVIXDBLEKB-DGCLKSJQSA-N 318.381 -0.501 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCCCN([C@H](C)C(N)=O)C2)nn1 1034433387 WHTFJQPPELJJSZ-NEPJUHHUSA-N 320.397 -0.078 30 20 DBED N#Cc1ccc(C(=O)N2CCC[C@@H]2CN[C@H]2CCNC2=O)[nH]1 1034911520 FOUKSUTVCVZRFG-NEPJUHHUSA-N 301.350 -0.031 30 20 DBED CC#CCN1CCO[C@@H](CNC(=O)c2cc(=O)n(C)cn2)C1 1035401346 ZZMXWWLHEYHPAQ-LBPRGKRZSA-N 304.350 -0.766 30 20 DBED CC(=O)N1CCC(C(=O)NC[C@H]2CN(CC#N)CCO2)CC1 1035600988 UUXBRZFGNMSMFP-AWEZNQCLSA-N 308.382 -0.415 30 20 DBED C#CCCCC(=O)NC[C@@]1(O)CCN(C(=O)Cc2ncc[nH]2)C1 1039574497 UGIDLTOYQQWIOB-INIZCTEOSA-N 318.377 -0.165 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)c2cccnn2)C1 1040675540 GZSJAXDBCOTDHM-IINYFYTJSA-N 303.322 -0.671 30 20 DBED C[C@@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)c2cc[n+]([O-])cc2)C1 1040762363 HNXITCQEGUVSIL-XHDPSFHLSA-N 318.333 -0.827 30 20 DBED C[C@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)Cc2cnoc2)C1 1040769935 OUQNHEOFYUMIGF-QMTHXVAHSA-N 306.322 -0.544 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)[C@@H](C)SC)C1 1041623081 HPZRRFGYQRTLCV-GHMZBOCLSA-N 314.407 -0.534 30 20 DBED CO[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1NC(=O)[C@@H]1CCCO1 1042749541 ZSXNIMONLSERHK-GRYCIOLGSA-N 317.349 -0.153 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)C2CCOCC2)C1 1043032868 KMGXMUJUHFOIRL-UHFFFAOYSA-N 324.377 -0.858 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)C(C)(C)C=C)C1 1043039395 BWNJKWKKUCFDGV-GFCCVEGCSA-N 308.378 -0.074 30 20 DBED C=C[C@@H](C)[C@H](C)C(=O)N1CC(O)(CNC(=O)Cn2nccn2)C1 1043214048 WPXQITHAUGHENB-NEPJUHHUSA-N 321.381 -0.574 30 20 DBED C[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)C[C@H]1Nc1ccc(C#N)nc1 1043472472 DEQWTDPRWRYPID-OASPWFOLSA-N 314.349 -0.107 30 20 DBED N#CCSCC(=O)N1CC(O)(CNC(=O)c2cnco2)C1 1044117717 AZSNNIZADITKGB-UHFFFAOYSA-N 310.335 -0.766 30 20 DBED C=C(C)C[C@H](C)C(=O)NCC1(O)CN(C(=O)CC(=O)NC)C1 1045055834 ZNIOQSCUQFDZAC-NSHDSACASA-N 311.382 -0.586 30 20 DBED C=CCCCC(=O)NCC1(O)CN(C(=O)COCCOC)C1 1045451518 SXJIDCBYPHRQRX-UHFFFAOYSA-N 314.382 -0.305 30 20 DBED C=C1CC(C)(C(=O)NCC2(O)CN(C(=O)CC(=O)NCC)C2)C1 1046307800 YKRFHFKISIOUQL-UHFFFAOYSA-N 323.393 -0.442 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C(N)=O)s2)C1 1047564018 JBABYEOLRFHPHO-QWRGUYRKSA-N 321.402 -0.013 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cnn3c2CCCC3)C1 1047586570 YSXZMUNMCBJZRS-GJZGRUSLSA-N 302.378 -0.030 30 20 DBED C=CCOCC(=O)N(C)[C@H]1CN(C(=O)c2c[nH]nc2C)C[C@@H]1O 1048558803 WNTJNAXNSGLOMF-STQMWFEESA-N 322.365 -0.436 30 20 DBED C=C[C@@](C)(O)CC(=O)N(C)[C@H]1CN(C(=O)[C@H]2C[C@@H]2C)C[C@@H]1O 1048761890 JQGGKUPUQKIUJN-AYZOYYRMSA-N 310.394 0.000 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)[C@H]1CCN(C(=O)COC)C1 1049766296 RYCXXOWJUPWXOA-RYUDHWBXSA-N 309.366 -0.875 30 20 DBED C=CCN1CCOC[C@H]1CNC(=O)[C@H]1CCS(=O)(=O)C1 1051009244 DIUOVMHXYGZHTM-NWDGAFQWSA-N 302.396 -0.576 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)[C@@H]1CC(=O)N(CCC)C1 1051137161 LCXUJITUBOETSU-KGLIPLIRSA-N 307.394 -0.305 30 20 DBED C=CCOCC(=O)N1C[C@@H](C)[C@@H](CNC(=O)c2cnnn2C)C1 1052220485 JZJMVXYXYBAMKG-NEPJUHHUSA-N 321.381 -0.158 30 20 DBED N#CCN1CC2(C1)CN(C(=O)c1cc3n(n1)CCO3)CCO2 1053289117 UAZQHDOFZJDHIE-UHFFFAOYSA-N 303.322 -0.674 30 20 DBED CCn1cc(CC(=O)N2CCOC3(CN(CC#N)C3)C2)nn1 1053353291 JNIQPYHYLJBGQE-UHFFFAOYSA-N 304.354 -0.723 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)c3ccc4nn[nH]c4n3)CO2)C1 1053823025 AZOJYFLLASIRQC-VIFPVBQESA-N 313.321 -0.550 30 20 DBED C=C(C)CN1CC2(C[C@H](NC(=O)CN3CC(=O)NC3=O)CO2)C1 1053959185 UCNNXEFSDNSDNL-NSHDSACASA-N 322.365 -0.926 30 20 DBED C=CCN1CC2(C[C@@H](NC(=O)CN3C(=O)CCC3=O)CO2)C1 1054003027 NWZMOLZPAHOIGO-LLVKDONJSA-N 307.350 -0.719 30 20 DBED C[C@H](C(=O)N[C@H]1COC2(C1)CN(CC#N)C2)N1CCCCC1=O 1054016848 MEKAWNJWTKRKRA-CHWSQXEVSA-N 320.393 -0.130 30 20 DBED N#Cc1ccc(C(=O)N(CCO)CCNC(=O)c2ccon2)[nH]1 1057367332 WNDGDTUDENIUDM-UHFFFAOYSA-N 317.305 -0.261 30 20 DBED N#Cc1cncc(NC2CCN(C(=O)Cn3ncnn3)CC2)n1 1057374510 AGYSSWUFYBGRCJ-UHFFFAOYSA-N 313.325 -0.562 30 20 DBED N#Cc1nccnc1N[C@@H]1CCCN(C(=O)[C@@H]2COC(=O)N2)C1 1057631301 NOZYNLKFNZJSFW-KOLCDFICSA-N 316.321 -0.140 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1CCCN(C(=O)[C@H]2CNC(=O)N2)C1 1057747932 CQDZYAWYIWRMOB-WCQYABFASA-N 314.349 -0.541 30 20 DBED N#Cc1nccc(N2CC[C@H](NC(=O)c3cc[n+]([O-])cc3)C2)n1 1058276791 QGPSIPMKPMBTHY-LBPRGKRZSA-N 310.317 -0.010 30 20 DBED C=C[C@H](C)[C@@H](C)C(=O)N(CCO)CCNC(=O)Cn1cnnn1 1058433112 JMYMQDHWZIVNJZ-NWDGAFQWSA-N 324.385 -0.932 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)[C@@H]1CCN(C)C1=O 1058451194 NDGCQMJFFZXLDL-CYBMUJFWSA-N 323.393 -0.795 30 20 DBED C=CCCCC(=O)N(CCO)CCNC(=O)CN(C)C(C)=O 1058621931 VEARVMUCCVWQCT-UHFFFAOYSA-N 313.398 -0.242 30 20 DBED Cc1cc(=N[C@H]2CCN(C(=O)CS(C)(=O)=O)C2)c(C#N)c[nH]1 1058847771 NXKYUCKGPHYUGP-LBPRGKRZSA-N 322.390 -0.259 30 20 DBED N#Cc1cncc(N[C@H]2CCN(C(=O)C3CS(=O)(=O)C3)C2)n1 1058974486 OAQYHPYUFIXNNS-JTQLQIEISA-N 321.362 -0.594 30 20 DBED N#Cc1nccnc1N[C@H]1C[C@H](NC(=O)[C@@H]2CC[C@@H]2C(N)=O)C1 1059368604 XXIFWLUMOSLYTO-XWLWVQCSSA-N 314.349 -0.081 30 20 DBED CC(C)C#CC(=O)NC[C@H]1COCCN1C(=O)[C@H]1C[C@H]1C(N)=O 1061568322 GHUCASLGUMSOQL-XQQFMLRXSA-N 321.377 -0.889 30 20 DBED CCC(=O)NCC(=O)N1CCOC[C@@H]1CNC(=O)C#CC1CC1 1061570070 SBWQVNNVZBNXJJ-ZDUSSCGKSA-N 321.377 -0.730 30 20 DBED Cn1nnc(C(=O)NC[C@@H]2CCN(c3ccncc3C#N)C2)n1 1061706500 RGTYPNDAGCKPGU-JTQLQIEISA-N 312.337 -0.267 30 20 DBED C=C[C@@](C)(O)CC(=O)NC1(CNC(=O)[C@H]2CCNC2=O)CCC1 1063908434 XCAJXWPZHQANCL-XHDPSFHLSA-N 323.393 -0.395 30 20 DBED C#CCO[C@@H](C)C(=O)NC1(CNC(=O)c2nnn(C)n2)CCC1 1064045789 GZTNMKMADHPYBV-JTQLQIEISA-N 320.353 -0.983 30 20 DBED N#Cc1cncc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)Cn2ccnc2)n1 1064269546 AEGPDZDUKBXXKT-GMXABZIVSA-N 309.333 -0.062 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CN(C(=O)c2ccnn2C)CCO1 1064943718 MFPQWCBULYGWJQ-QWRGUYRKSA-N 305.338 -0.463 30 20 DBED C[C@@]1(NC(=O)[C@H]2CCC(=O)N2)CCN(c2ccc(C#N)nn2)C1 1065223859 IOYCKHNIKAFDFK-IAQYHMDHSA-N 314.349 -0.288 30 20 DBED C=C(C)CCC(=O)NC[C@@H]1CN(C(=O)Cn2cncn2)CCO1 1065636672 LCPUQIVHRBGKSD-CYBMUJFWSA-N 321.381 -0.022 30 20 DBED N#Cc1cccnc1N1C[C@H]2CC[C@H]1CN2C(=O)Cn1cnnn1 1068026359 LRHUCDFBPGSBFW-OLZOCXBDSA-N 324.348 -0.180 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@@]2(CCN(C(C)=O)C2)C1 1069741097 JCTIWCYKLNAQHI-INIZCTEOSA-N 305.378 -0.013 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2cnn(C)c2C)C[C@@H]1n1ccnn1 1070140992 FXBFAFVXGMOTGY-KGLIPLIRSA-N 313.365 -0.391 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CCCN(C(=O)c2ncn(C)n2)C1 1070688822 DGGCPRGGQLQSOW-VXGBXAGGSA-N 319.365 -0.426 30 20 DBED Cn1cc(C(=O)N2C[C@H]3C[C@@H]4CN(CC#N)C[C@]3(C2)O4)cn1 1070759206 OFOSBIKWGGZBAS-UMVBOHGHSA-N 301.350 -0.141 30 20 DBED C[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@]2(CCN(CC#N)C2)O1 1071202544 WQZFGMNWHSDAQH-IAQYHMDHSA-N 317.349 -0.401 30 20 DBED C=CCCN1C[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)CC[C@H]1C 1071516575 AHFYDRDSKSLYQT-NEPJUHHUSA-N 320.397 -0.078 30 20 DBED C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1NC(=O)CC(N)=O 1071917710 FMGWAGXJCJNLMH-LDYMZIIASA-N 303.322 -0.662 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(C(=O)CC(=O)NCC#C)C[C@@H]1C 1071935321 ADVNJUIAPMWZCE-UONOGXRCSA-N 317.389 -0.108 30 20 DBED N#Cc1cc(C(=O)N2CC3(CCN([C@H]4CCNC4=O)C3)C2)c[nH]1 1072639745 CWVDVXVJFDGOSN-ZDUSSCGKSA-N 313.361 -0.077 30 20 DBED C#CCCN1CCC2(C1)CN(C(=O)CN1CC(=O)N(C)C1=O)C2 1073123323 RYSTYAFASZCZMG-UHFFFAOYSA-N 318.377 -0.562 30 20 DBED N#CCN1CCO[C@@H]2CCN(C(=O)CN3CCCC3=O)C[C@H]21 1074160392 RQJXJSCDVFPQJB-CHWSQXEVSA-N 306.366 -0.566 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCN(C)C2=O)C1 1077533605 KNWDVSNOJRRKMC-GMTAPVOTSA-N 301.774 -0.622 30 20 DBED Cc1cc(C)c(CC(=O)N[C@@H]2CN(CC#N)C[C@H]2O)c(O)n1 1077558711 NCUKQONASSBSMK-CHWSQXEVSA-N 304.350 -0.369 30 20 DBED C#CCOCCC(=O)N(C)[C@@H]1CCCN(C(=O)C(N)=O)CC1 1078960315 TWOGIEWUTNPYHL-GFCCVEGCSA-N 309.366 -0.649 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CO)(NC(=O)[C@H]2CCOC2)CC1 1080760442 FVGICNOQPHSUBT-RYUDHWBXSA-N 309.366 -0.348 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)Cc2ccoc2)C[C@@H]1O 1081347190 RXBCEHYVCMXLDT-KBPBESRZSA-N 322.361 -0.040 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2cnn(C)n2)C1 1081600430 GAJSSJKZWQFRAC-ZYHUDNBSSA-N 307.354 -0.670 30 20 DBED C=CC(C)(C)C(=O)NC[C@@H]1CN(C(=O)c2cnon2)C[C@@H]1O 1081643687 YCFLSUNPFVBBMB-KOLCDFICSA-N 308.338 -0.169 30 20 DBED C=CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)Cn1ncn(C)c1=O 1083125958 PBAFDKFUCWWJLR-QWHCGFSZSA-N 321.381 -0.931 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCCc3nn(C)cc32)C1 1083730094 NRKKZRXNVJTDNS-GLQYFDAESA-N 302.378 -0.366 30 20 DBED CN(C[C@@H]1CCN1Cc1nnn(C)n1)C(=O)c1cc(C#N)c[nH]1 1085534219 FNZAFMOTOITULJ-NSHDSACASA-N 314.353 -0.244 30 20 DBED C[C@@H](C[C@H](C)NC(=O)Cn1cncn1)N=c1cc[nH]c(C#N)n1 1089317077 WHOYGVXXOGKWBJ-QWRGUYRKSA-N 314.353 -0.243 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2cn3c(n2)COCC3)[C@H](O)C1 1090362385 WTWNJZUDSPHDRG-ZYHUDNBSSA-N 305.338 -0.898 30 20 DBED CCC(=O)NCC(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@H]1O 1090389569 NBSGSXLUXIJIDU-VXGBXAGGSA-N 317.349 -0.855 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1O 1090392537 WKNWPSIPBGLZMB-VXGBXAGGSA-N 303.322 -0.783 30 20 DBED C#CCN1CC[C@H](NC(=O)c2ccnc3c2ncn3C)[C@H](O)C1 1090565757 GQRGHSPVZLMAIW-QWHCGFSZSA-N 313.361 -0.234 30 20 DBED CC(C)N(C)CC(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@@H]1O 1091117752 RUBLVCPDAVPUSY-KGLIPLIRSA-N 317.393 -0.041 30 20 DBED CN(C)C(=O)CC(=O)NC[C@H]1C[C@@H](N=c2cc[nH]c(C#N)n2)C1 1091410358 SCQCKMHXNZNGCI-PHIMTYICSA-N 316.365 -0.445 30 20 DBED CCC(=O)NCC(=O)NC1[C@@H]2CN(c3nccnc3C#N)C[C@@H]12 1093235109 OJAGZKUZIOFLDG-NXEZZACHSA-N 314.349 -0.575 30 20 DBED C#CCN1CC(OC2CCN(C(=O)[C@H]3CC[C@@H]3C(N)=O)CC2)C1 1093557742 IHJGBXASKRNNRB-GJZGRUSLSA-N 319.405 -0.177 30 20 DBED CC(=O)N1CC(C(=O)NCCNc2nc(C)cc(C#N)n2)C1 1093576846 VWMIYQBTJUTQKD-UHFFFAOYSA-N 302.338 -0.337 30 20 DBED N#Cc1c[nH]ccc1=NCCNC(=O)[C@@H]1CN2CCC[C@H]2CO1 1094203007 JJLLFNWERGLGQX-ZFWWWQNUSA-N 315.377 -0.234 30 20 DBED N#Cc1nc(=NCCCNC(=O)CCCCC(N)=O)cc[nH]1 1094578506 UEHJJMKLZLDQQI-UHFFFAOYSA-N 304.354 -0.266 30 20 DBED CC#CCN1CC(N2C[C@@H](NC(=O)[C@H]3CCN(C)C3)CC2=O)C1 1094815406 SBDKZMLPEWGGQB-KBPBESRZSA-N 318.421 -0.637 30 20 DBED CN(CCCNC(=O)CCn1ccnn1)c1nccnc1C#N 1095536015 ZGVDNEMXPNDQEY-UHFFFAOYSA-N 314.353 -0.027 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCN(c2ccc(C#N)nn2)C1 1096359361 BERPBBZBAKDNEQ-GFCCVEGCSA-N 312.333 -0.817 30 20 DBED CC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1nccnc1C(N)=O 1096506224 CILORSWXABBOSZ-WOPDTQHZSA-N 313.361 -0.066 30 20 DBED C[C@@H](CNC(=O)CCCn1cncn1)N=c1cc[nH]c(C#N)n1 1098028593 IHQCMZAQYQRGOP-NSHDSACASA-N 314.353 -0.241 30 20 DBED C[C@@H](CNC(=O)[C@H](C)S(C)(=O)=O)Nc1cncc(C#N)n1 1098392723 JCIZDDSTEHZKKP-IUCAKERBSA-N 311.367 -0.302 30 20 DBED CC(C)(C(N)=O)C(=O)N1CC[C@H](n2cc(CNCC#N)nn2)C1 1098682982 MFTOBERKBQFYEI-NSHDSACASA-N 319.369 -0.824 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)C2=CCCC2)[C@H](O)C1 1099766037 FSNSJKQWXDJJFX-ZIAGYGMSSA-N 305.378 -0.603 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCN(C/C=C\Cl)C[C@@H]1O 1099788771 IMKDOJUAQBITEO-MEPZIYLKSA-N 313.785 -0.570 30 20 DBED C#CCNC(=O)CC(=O)NCCN(C)c1nccc(OC)n1 1100037793 SXRPVIYTQKVYDD-UHFFFAOYSA-N 305.338 -0.823 30 20 DBED CN(CCNC(=O)c1cc(C(N)=O)co1)c1cnc(C#N)cn1 1100320225 SCSVUZAFZMUNDA-UHFFFAOYSA-N 314.305 -0.094 30 20 DBED CC(C)[C@H](NS(C)(=O)=O)C(=O)NCC1CC(NCC#N)C1 1100739459 YSQLMNBPBFMXNQ-MCIGGMRASA-N 316.427 -0.432 30 20 DBED CN1C[C@H](C(=O)N(C)CCNc2ccc(C#N)nn2)NC1=O 1101902983 LICRXWKPIXKYQW-SNVBAGLBSA-N 303.326 -0.758 30 20 DBED CC#CCN1C[C@@H](C)[C@H](CNC(=O)Cn2nc(C)n(C)c2=O)C1 1102539482 GGKZQNCPBYRNIQ-TZMCWYRMSA-N 319.409 -0.402 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H]2C[C@H]1CN2c1cc(C)ncn1 1102546864 VCFJVKBDXXEWFF-STQMWFEESA-N 313.361 -0.286 30 20 DBED CN(C(=O)CNC(N)=O)[C@@H]1CCN(c2ccc(C#N)nn2)C1 1102668359 JNFFBCWCCYKXRQ-SNVBAGLBSA-N 303.326 -0.946 30 20 DBED CCC(=O)NCC(=O)N(C)[C@@H]1CCN(c2ccnc(C#N)n2)C1 1102701721 HIPGUZOJHPONFK-LLVKDONJSA-N 316.365 -0.088 30 20 DBED CCC(=O)NCC(=O)NC[C@H](CC)N=c1cc[nH]c(C#N)n1 1102994496 QMMLMPCLQIIQAR-JTQLQIEISA-N 304.354 -0.397 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H](CC)Nc1cncc(C#N)n1 1103039223 DYQLNBPWWUPNID-LLVKDONJSA-N 314.349 -0.206 30 20 DBED CNC(=O)NCCC(=O)NC[C@@H](C)CNc1cncc(C#N)n1 1103928726 DWAYRHMCULSQOJ-JTQLQIEISA-N 319.369 -0.168 30 20 DBED CNC(=O)NCCC(=O)NC[C@@H](C)CNc1cnc(C#N)cn1 1103929106 PAEKDHJUAQOETB-JTQLQIEISA-N 319.369 -0.168 30 20 DBED C[C@H](CNc1ccc(C#N)cn1)N(C)C(=O)Cn1ncnn1 1104689606 XNKVKUOGNYXYBL-SNVBAGLBSA-N 300.326 -0.101 30 20 DBED CC(C)[C@@H](CNC(=O)Cn1nccn1)N=c1cc[nH]c(C#N)n1 1105236982 DBUIZGIDDOZIJC-LLVKDONJSA-N 314.353 -0.385 30 20 DBED CN(CCN(C)c1nccnc1C#N)C(=O)[C@H]1C[C@H]1C(N)=O 1105559496 PTVCUKFMAZLWNP-ZJUUUORDSA-N 302.338 -0.636 30 20 DBED Cc1cc(=NC[C@H](O)CNC(=O)c2cnn(C)c2)c(C#N)c[nH]1 1105715753 AVHLEGFTUFWHHY-ZDUSSCGKSA-N 314.349 -0.380 30 20 DBED N#Cc1cccnc1NC[C@H](O)CNC(=O)c1nccnc1N 1105765803 GNFDVWVHMWXVHO-JTQLQIEISA-N 313.321 -0.472 30 20 DBED CO[C@H](C)CC(=O)NC[C@@H](O)CN=c1cc(C)[nH]cc1C#N 1105783168 WDAQLTFDODYVES-YPMHNXCESA-N 306.366 -0.002 30 20 DBED CNC(=O)CCCC(=O)NC[C@@H](O)CNc1ccc(C#N)cn1 1105794639 IMLXFYDZFOVEEX-LBPRGKRZSA-N 319.365 -0.241 30 20 DBED COc1ccnc(NC[C@H](O)CNC(=O)c2cc(C#N)c[nH]2)n1 1105808664 OEHBBPSQDPMORQ-SNVBAGLBSA-N 316.321 -0.112 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)CC2OCCCO2)cn1 1105809393 BMRXPIQOIRICOH-CYBMUJFWSA-N 320.349 -0.005 30 20 DBED N#Cc1nc(=NC[C@H](O)CNC(=O)[C@@]23CCC[C@@H]2C3)cc[nH]1 1106183089 PNUIBUZHBJRCGK-JRPNMDOOSA-N 301.350 -0.151 30 20 DBED CCN(CCNc1nc(C)cc(C#N)n1)C(=O)CNC(N)=O 1106690239 LWLUQRDQPWNFMA-UHFFFAOYSA-N 305.342 -0.415 30 20 DBED C=C(C)CNC[C@@H]1CN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C[C@H]1C 1106708452 UQFMVEOJVSTQLF-UTUOFQBUSA-N 308.382 -0.155 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)[C@@H]2CN(C(C)=O)CCO2)C[C@H]1C 1106935668 TUQQHVBNKKERJV-BMFZPTHFSA-N 321.421 -0.059 30 20 DBED C#CCCN1CC(n2cc(CNC(=O)CC(C)(C)O)nn2)C1 1107164447 BPCZLJYNXVOYLN-UHFFFAOYSA-N 305.382 -0.065 30 20 DBED N#Cc1c[nH]ccc1=NC/C=C/CNC(=O)C[C@H]1CCNC1=O 1107375278 PGWGMGWLRRJZKZ-YYRQZUAOSA-N 313.361 -0.014 30 20 DBED CC#CCN1CCO[C@@](C)(CNC(=O)CNC(=O)C2CC2)C1 1107767914 OMGYZFCGJJRZKY-INIZCTEOSA-N 307.394 -0.257 30 20 DBED C[C@H](CN=c1cc[nH]cc1C#N)NC(=O)[C@H]1CCCS1(=O)=O 1107773674 VRRGZEWTGUNROI-ZWNOBZJWSA-N 322.390 -0.131 30 20 DBED CC(=O)N1CC[C@](C)(C(=O)NC[C@@]2(C)CN(CC#N)CCO2)C1 1108329805 VUFDOQZRPKLYSB-HOTGVXAUSA-N 322.409 -0.024 30 20 DBED N#CCN1CC(N2C[C@@H](NC(=O)COCC3CC3)CC2=O)C1 1108513270 FOEZINQHRDJWQE-LBPRGKRZSA-N 306.366 -0.662 30 20 DBED C[C@@H](CNc1cncc(C#N)n1)NC(=O)CN1CCOCC1=O 1108754275 WGEJIDUGSFJZRU-JTQLQIEISA-N 318.337 -0.876 30 20 DBED C[C@H](CN(C)c1nccnc1C#N)NC(=O)c1ncn(C)n1 1108933727 UJNNDPFSOCHVEE-SECBINFHSA-N 300.326 -0.269 30 20 DBED Cc1nc(N(C)C[C@H](C)NC(=O)Cn2ncnn2)ccc1C#N 1109119620 ZJCGAVMQPCSRJA-JTQLQIEISA-N 314.353 -0.111 30 20 DBED CN(CCCNc1ccc(C#N)nn1)C(=O)[C@@H]1CCC(=O)N1 1109486435 AIVHIKOAQMHGLJ-NSHDSACASA-N 302.338 -0.113 30 20 DBED C[C@@]1(CNC(=O)C(N)=O)CCCN(c2nccnc2C#N)C1 1110954560 XJEHXUXNEMSTGI-AWEZNQCLSA-N 302.338 -0.444 30 20 DBED CC(=O)N[C@H](C)C(=O)N(CCO)CCNc1ccc(C#N)nn1 1111414022 SDPDLAKGJGZUBB-SNVBAGLBSA-N 320.353 -0.894 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1COCCN1c1ccnc(C#N)n1 1111662810 HKNYHYHHTHAEOY-GHMZBOCLSA-N 300.322 -0.171 30 20 DBED Cc1cc(C#N)nc(NC2(CNC(=O)CC(N)=O)CCC2)n1 1111776458 HHAJPYKTTXHXAR-UHFFFAOYSA-N 302.338 -0.017 30 20 DBED N#Cc1c(F)cccc1N1C[C@H](CNC(=O)C(N)=O)[C@@H](O)C1 1112751208 MICOSPUOJMTQNT-UFBFGSQYSA-N 306.297 -0.904 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)[C@@H]2CCCCO2)CC1 1112768712 JGOMXQJEBYYRPT-KGLIPLIRSA-N 307.394 -0.162 30 20 DBED CNC(=O)CCCC(=O)N[C@@H](C)[C@@H](C)N=c1cc[nH]c(C#N)n1 1112978017 JDHPPTTWGWGDMZ-MNOVXSKESA-N 318.381 -0.008 30 20 DBED CO[C@H]1CCC[C@@H]1C(=O)N1CCN(CC(=O)NCC#N)CC1 1113040454 MXECWLUPVJEDQH-STQMWFEESA-N 308.382 -0.415 30 20 DBED C[C@@H](NC(=O)C1CS(=O)(=O)C1)[C@@H](C)Nc1nccnc1C#N 1113182929 MFAYEEZBARYBFM-RKDXNWHRSA-N 323.378 -0.302 30 20 DBED C=CCN1CC[C@H](N2CCN(C(=O)CCN(C)C)CC2)C1=O 1113300072 FFSSBILQPRWBNZ-AWEZNQCLSA-N 308.426 -0.131 30 20 DBED CNC(=O)C1(C(=O)N2CCN(CC#CCOC)CC2)CCC1 1113573611 AMTFKLJLNAUICC-UHFFFAOYSA-N 307.394 -0.303 30 20 DBED C[C@H](CNC(=O)[C@@H]1COC(=O)N1)N(C)c1ccc(C#N)nn1 1113590353 BRDXJFBDXDEIQL-SCZZXKLOSA-N 304.310 -0.602 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)CO[C@@H](C)CC)[C@@H]2C1 1114153094 IWSJFPGTYPTJHS-YNEHKIRRSA-N 307.394 -0.403 30 20 DBED CC(=O)NCC(=O)NC[C@H]1[C@@H]2CN(c3ccncc3C#N)C[C@H]12 1114502915 CMKJOHOAUVLQHM-ZSOGYDGISA-N 313.361 -0.112 30 20 DBED C=CC(C)(C)C(=O)NC1[C@H]2CN(CCNS(C)(=O)=O)C[C@H]12 1114686413 LLXVGFRTMQSJJK-QWRGUYRKSA-N 315.439 -0.206 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)Cc3occc3C)[C@H]2C1 1114806115 PQKFPIAJYJFCAO-STQMWFEESA-N 315.373 -0.074 30 20 DBED C[C@@H](CN(C)C(=O)[C@@H]1COC(=O)N1)Nc1nccnc1C#N 1115703263 VSUPWQQYKBWPRV-WPRPVWTQSA-N 304.310 -0.285 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N[C@@H](C)CS(C)(=O)=O 1117377921 NPODHCJWVGYUEH-JTQLQIEISA-N 306.384 -0.803 30 20 DBED C#CCOCCNC(=O)C(=O)NCc1cccc(N(C)C)n1 1117390837 ITWXMEZDUPICHH-UHFFFAOYSA-N 304.350 -0.470 30 20 DBED N#Cc1ccc(CCNC(=O)C(=O)N2C[C@H](O)[C@@H](CO)C2)cc1 1118529304 ZDDXPRIHYZYKBF-KGLIPLIRSA-N 317.345 -0.971 30 20 DBED C#CCO[C@H](C)C(=O)NC1CC2(CC(NCC(=O)NC)C2)C1 1121097108 LGPJIYZOZUIIRC-MPXNVAGNSA-N 307.394 -0.212 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)[C@H]2CCCOC2)nn1 1121196916 DNQQELUQAGKDCI-JQWIXIFHSA-N 305.338 -0.336 30 20 DBED C=CCO[C@@H](C)C(=O)NC[C@@H](CO)Nc1nccnc1C#N 1121749593 PYEXMRKDTNNUEM-QWRGUYRKSA-N 305.338 -0.172 30 20 DBED Cc1ccc(C#N)c(N[C@H](CO)CNC(=O)c2nc[nH]n2)n1 1121892987 JAXUKIQCJRZUST-JTQLQIEISA-N 301.310 -0.417 30 20 DBED C[C@]1(C(=O)NC[C@H](CO)Nc2cncc(C#N)n2)CCOC1 1121914808 RIZCLALPKNPRIG-RISCZKNCSA-N 305.338 -0.336 30 20 DBED CN(C[C@@H](O)CN(C)c1ccnc(C#N)n1)C(=O)c1cc[nH]n1 1125017891 JUHATCSHFDDFNH-JTQLQIEISA-N 315.337 -0.359 30 20 DBED Cn1ncc2c(O)nc(CNCCNC(=O)C#CC3CC3)nc21 1126875862 PVYHAUPXPJYJJA-UHFFFAOYSA-N 314.349 -0.312 30 20 DBED C#CCOCCC(=O)NCCNCC(=O)Nc1cc(C)nn1C 1127027547 TVQAAQJKPHZUPU-UHFFFAOYSA-N 321.381 -0.587 30 20 DBED C#CCC1(C(=O)NCCNCc2cnnn2C)CCOCC1 1129116830 JSGZHNIBVHZKSE-UHFFFAOYSA-N 305.382 -0.159 30 20 DBED CN(C)CCC(=O)N1C[C@@H](NCC#N)[C@H](c2cn(C)cn2)C1 1130670094 QUHHBRRMRVLOLS-GXTWGEPZSA-N 304.398 -0.221 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1=O 1131520090 UAENHHZWSJGLHN-QLKXBERHSA-N 319.405 -0.098 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)COc2cnn(C)c2)C1=O 1132964292 IBFHVQKVEREGDH-ZDUSSCGKSA-N 321.381 -0.708 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)CCc1nc[nH]n1 1134041382 FYARMEUUGBGLRS-NWDGAFQWSA-N 320.397 -0.640 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)c1cc2ncccn2n1 1135586889 BBEGUYPEWLASLT-NSHDSACASA-N 316.365 -0.261 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)COCc1ccncc1 1135752793 RHVPBKHQDRGXTF-CYBMUJFWSA-N 318.377 -0.558 30 20 DBED Cn1nc2ccccc2c1C(=O)NCCNCC(=O)NCC#N 1146632178 OFRVLNSGQSECAG-UHFFFAOYSA-N 314.349 -0.468 30 20 DBED COCC#CCN1CCCO[C@H](CNC(=O)c2ccnn2C)C1 1149302011 NBDQIBITEQGYTF-CQSZACIVSA-N 320.393 -0.109 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(Cc2nnn(C)n2)CCCO1 1149331074 PLDDJOVZNZLXJW-GFCCVEGCSA-N 308.386 -0.117 30 20 DBED C=CCCO[C@@H](C)C(=O)NC[C@H]1CN(CC(N)=O)CCCO1 1149356755 SYRGCAZZPARLQW-STQMWFEESA-N 313.398 -0.340 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)[C@H](C)CN2CCOCC2)C1 1150725836 WKUKJVUUOFVYGZ-CVEARBPZSA-N 323.437 -0.205 30 20 DBED C=CCNC(=O)CNCCNC(=O)Cn1c(C)csc1=O 1150794219 LINYGAOUFNSBMM-UHFFFAOYSA-N 312.395 -0.774 30 20 DBED C#CCN1CCC(C(=O)NCCNCc2nc(C)no2)CC1 1152329862 CKYRESDHBFDHSW-UHFFFAOYSA-N 305.382 -0.071 30 20 DBED C[C@@H](C#N)C(=O)NCCCNCc1nnnn1CC(F)(F)F 1155842035 KEBBRFMDMMZNTB-QMMMGPOBSA-N 319.291 -0.009 30 20 DBED C#CCOCCC(=O)NCCCNCCN(C)S(C)(=O)=O 1157859557 NCTOTUMAZSHXEO-UHFFFAOYSA-N 319.427 -0.986 30 20 DBED C#CCO[C@H](C)C(=O)NCCCNCCN(C)S(C)(=O)=O 1157870187 YGCNVVFJMICMGD-GFCCVEGCSA-N 319.427 -0.988 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1cc(OCC)no1 1162674268 MYSWTRAJZIWUIZ-UHFFFAOYSA-N 308.338 -0.468 30 20 DBED C#CCO[C@@H](C)C(=O)NCCC1(CNCc2nnn(C)n2)CC1 1164504530 AQCNIONYMGKQPH-LBPRGKRZSA-N 320.397 -0.376 30 20 DBED Cc1nn(C)cc1CCC(=O)NCCCNCC(=O)NCC#N 1167579077 NMYQHAUJPSHHAQ-UHFFFAOYSA-N 320.397 -0.603 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NCCCN[C@H]1CCN(C)C1=O 1167678059 QFTDSEJTTIDHEC-KBPBESRZSA-N 324.425 -0.216 30 20 DBED C#CCNCCCC[C@@H](C)NC(=O)[C@@H](C)NS(C)(=O)=O 1175450625 DJYNITGPQBFKLK-VXGBXAGGSA-N 303.428 -0.178 30 20 DBED C=CCO[C@@H](C)C(=O)NCCCNCc1nnc2n1CCOC2 1177269813 WHTYBAMGGFTILY-LBPRGKRZSA-N 323.397 -0.005 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)CN(C)C(=O)C(C)C)C1 1182983413 ZLVVQZAPPLORGT-CYBMUJFWSA-N 322.409 -0.959 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2n[nH]cc2F)C1 1185487021 PBXYLDHOOZGCDE-VHSXEESVSA-N 307.329 -0.509 30 20 DBED C=CCn1cc(C(=O)N2CC[C@@H](NCC(=O)NCC)C2)nn1 1186193950 OLKNAAWSZXDQJU-LLVKDONJSA-N 306.370 -0.596 30 20 DBED CCn1nccc1C(=O)N1CC[C@H](N(C)CC(=O)NCC#N)C1 1189807772 JGXGFFRHHPLYNG-LBPRGKRZSA-N 318.381 -0.311 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)c2ccoc2)C1 1191005900 XWJMUWGGZTYHHS-RAIGVLPGSA-N 307.350 -0.255 30 20 DBED C=C(Cl)CN(C)[C@@H]1CCN(C(=O)CNS(=O)(=O)NC)C1 1191560217 BIHDQDUZNGQCCJ-SNVBAGLBSA-N 324.834 -0.675 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CN(Cc2cc3n(n2)CCC3)C[C@H]1O 1192822276 XGEFJXRSOSTFCG-HZPDHXFCSA-N 314.389 -0.096 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)NC(=O)C2CCCC2)C1 1193167448 UXPWUAGJFKDUOB-BPLDGKMQSA-N 321.421 -0.134 30 20 DBED C#CCCCC(=O)N1CCCN(CCNS(C)(=O)=O)CC1 1195681829 KBMYRCYPPQGQPU-UHFFFAOYSA-N 315.439 -0.127 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@H](C2CC2)N(C)C)CC1 1196163054 GNCQCDOKWHERMK-INIZCTEOSA-N 320.437 -0.390 30 20 DBED C=CCC[C@H](C)N1C[C@@H](O)[C@H](NC(=O)c2ccc(=O)n(C)n2)C1 1198400282 KWQHLWBBSKBACD-IACUBPJLSA-N 320.393 -0.090 30 20 DBED C=CCCCN1C[C@@H](O)[C@H](NC(=O)CCc2cn(C)nn2)C1 1199523870 KZCCBOABBWYKPO-ZIAGYGMSSA-N 307.398 -0.125 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)c2cnnn2C)CCCO1 1200397973 WUWMQZINZJLRFY-CYBMUJFWSA-N 321.381 -0.714 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC(N[C@@H]2CCN(C)C2=O)CC1 1200542308 YLCRZWMYIXRPCC-GXTWGEPZSA-N 307.394 -0.164 30 20 DBED N#CCNC(=O)CNCC1CCN(C(=O)C#CC2CC2)CC1 1205202224 CZZFFGJTGFZYCN-UHFFFAOYSA-N 302.378 -0.132 30 20 DBED C#CCOCCC(=O)N1CCC(CNCCOCCO)CC1 1205259148 UFTXONQXXWASCJ-UHFFFAOYSA-N 312.410 -0.137 30 20 DBED C[C@@H]1CO[C@H](C(=O)N2CCC(CNCC(=O)NCC#N)CC2)C1 1205721837 BVWIYBFNQPVILL-JSGCOSHPSA-N 322.409 -0.121 30 20 DBED C=CCN1CC[C@@H](N[C@H]2CCCN(C(=O)CC(=O)NC)C2)C1=O 1207902585 PAAKWAFJGVFSJB-QWHCGFSZSA-N 322.409 -0.510 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@H]2CCCNC2=O)C1 1208373903 RRSJXLXSUGYFTG-OLZOCXBDSA-N 322.409 -0.605 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)COCC(F)F)C1 1208706011 XHBHSMGFFCVNMI-NSHDSACASA-N 317.336 -0.402 30 20 DBED CC#CCN[C@@H]1CCCN(C(=O)[C@@H](CCC(N)=O)NC(C)=O)C1 1210154380 KHZDCBBZJFRHJN-ZIAGYGMSSA-N 322.409 -0.640 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2ccco2)[C@H](OC)C1 1211764390 FVPAITDTOINRFA-DGCLKSJQSA-N 305.334 -0.542 30 20 DBED CC#CCN1C[C@@H](NC(=O)CNC(=O)[C@@H](C)CC)[C@H](OC)C1 1213871630 ACDUGMNJJIJMQJ-BFHYXJOUSA-N 309.410 -0.013 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)C2=CCOCC2)C[C@H]1C 1214493561 PTQFFKQLPIPCME-VNHYZAJKSA-N 319.405 -0.093 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)C2(COC)CC2)C[C@H]1C 1215148215 ASJDNWBARKCEFU-MGPQQGTHSA-N 321.421 -0.013 30 20 DBED CCCC[C@@H](NC(N)=O)C(=O)N1CCO[C@@H]2CN(CC#N)C[C@@H]21 1219069098 YKQFCAWCTQYMET-FRRDWIJNSA-N 323.397 -0.351 30 20 DBED Cc1nn(C)cc1CN1C[C@H](O)[C@H](NC(=O)C#CC2CC2)C1 1219591913 ZPXLURMHTJVMJQ-CABCVRRESA-N 302.378 -0.197 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H](F)C(C)C)C1 1220174585 LAUDGMZZEFUWJD-MDZLAQPJSA-N 301.362 -0.556 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@H](C)C(C)(F)F)C1 1220381241 LSPHZXDXOQXILY-AXFHLTTASA-N 319.352 -0.259 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C2(CF)CCC2)C1 1220392852 OXISNUGHFAOAQW-NEPJUHHUSA-N 311.357 -0.963 30 20 DBED COCC#CCN1CC[C@@H]2CN(C(=O)CNC(=O)C3CC3)[C@@H]2C1 1221316833 XXRUQZLMRMQGDJ-HUUCEWRRSA-N 319.405 -0.305 30 20 DBED C[C@H](C#N)C(=O)NCC1CCN([C@H]2CCC(=O)NC2=O)CC1 1222641089 HBOJJYUFHUWVAP-PWSUYJOCSA-N 306.366 -0.221 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)[C@H]2C[C@H](C)CO2)CC1 1223854291 GFXXKKOLKOCCTR-DZGCQCFKSA-N 321.421 -0.011 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC(NC(=O)c2cncn2C)CC1 1228175651 GAXHKSVGBYBJTP-LBPRGKRZSA-N 317.393 -0.248 30 20 DBED CCN(CC#N)C(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1 1252182434 OLNMEHALJXKHIS-UHFFFAOYSA-N 309.347 -0.069 30 20 DBED N#CCCOCCOCCOC(=O)[C@@H]1CCS(=O)(=O)N1 1263521995 ALLJPKLFDXQIHH-JTQLQIEISA-N 306.340 -0.832 30 20 DBED C=CCCOCC(=O)OCC(=O)N[C@@H]1CCS(=O)(=O)C1 1317989946 IQPLRLCEVIETIX-SNVBAGLBSA-N 305.352 -0.574 30 20 DBED C=CCNC(=O)CNC(=O)NC1CCN(C(=O)C2CC2)CC1 1320096733 WDKSYLXSCWGYMK-UHFFFAOYSA-N 308.382 -0.011 30 20 DBED C[C@@H]1CCN(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)[C@@H]1CO 1320606024 KCZYSFCSLFAUAV-DLUIAHABSA-N 322.365 -0.075 30 20 DBED N#CCN1CCC(NC(=O)C(=O)N(CCO)C2CCC2)CC1 1324433604 DJNVXZHEBLADCU-UHFFFAOYSA-N 308.382 -0.536 30 20 DBED CCOCCOCCN(C)C(=O)C(=O)N1CC[C@](F)(C#N)C1 1325044791 BNFBZUGSPVVNBR-AWEZNQCLSA-N 315.345 -0.038 30 20 DBED C[C@@H]1CC(=O)NCCN1C(=O)C(=O)Nc1ccc(C#N)cn1 1326274531 LEYUAGVFNVHVTR-SECBINFHSA-N 301.306 -0.371 30 20 DBED CC[C@H](C)N1CCN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)CC1 1327042073 KSWGWALPQZCSFG-BBRMVZONSA-N 322.409 -0.194 30 20 DBED C#CCOCCNC(=O)C(=O)N1C[C@H](C)O[C@H](C(F)(F)F)C1 1329098699 JFDYKRXTGXHNIZ-UWVGGRQHSA-N 322.283 -0.069 30 20 DBED C#CC[C@@H]1NC(=O)N([C@H]2CCc3nc(COC)nn3C2)C1=O 1332447607 VDOSJYOZUNNIJR-UWVGGRQHSA-N 303.322 -0.317 30 20 DBED C#CCCCCNC(=O)C(=O)N[C@@H]1CCS(=O)(=O)[C@@H]1C 1332639579 GKSZBRCJDZIEKK-GHMZBOCLSA-N 300.380 -0.402 30 20 DBED C=CCC1(O)CCN(C(=O)C(=O)NCC(F)(F)CN)CC1 1333421686 CBSHTMRQDJATHP-UHFFFAOYSA-N 305.325 -0.374 30 20 DBED O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCOC[C@H]1C(=O)O 1333658895 RTURGRIISKALKD-LZTQFINJSA-N 323.305 -0.785 30 20 DBED C=CCSCCn1nnnc1N1CCO[C@@H](C(=O)OC)C1 1335243212 OUHWEZBQWBFULB-SNVBAGLBSA-N 313.383 -0.030 30 20 DBED C=C[C@@H](C(=O)OC)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 1339933290 PFTBBUPURAEMFZ-NEPJUHHUSA-N 302.396 -0.481 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)NCc1ccoc1 1344757699 NUHAGUCUYVLDBJ-UHFFFAOYSA-N 300.336 -0.387 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)N2CCn3cccc3C2)C1 1345718914 SLXWWLSKCZGUFW-HNNXBMFYSA-N 302.334 -0.293 30 20 DBED COCC#CC(=O)NCCS(=O)(=O)NCc1ccccc1 1347322397 KQWFDNGIGATHKT-UHFFFAOYSA-N 310.375 -0.128 30 20 DBED Cc1cc(F)cc(C#N)c1S(=O)(=O)N[C@@H](CO)C(N)=O 1363983241 UCSHEJIUKIVJKU-VIFPVBQESA-N 301.299 -0.870 30 20 DBED CN(C)c1cncc(NC(=O)Cn2cc(C#N)c(O)nc2=O)c1 1364414532 DHERINPVTZJYEF-UHFFFAOYSA-N 314.305 -0.080 30 20 DBED Cc1nc(CNC[C@@H](O)CN(C)C(=O)c2cc(C#N)c[nH]2)n[nH]1 1382406092 XZNAVPARRBDJPT-LLVKDONJSA-N 317.353 -0.464 30 20 DBED COc1cc(C(=O)N2CC[C@H](NC(=O)[C@H](C)C#N)C2)nn1C 1385612270 LMWMSQMKLZXOCS-ZJUUUORDSA-N 305.338 -0.081 30 20 DBED C[C@H](CCNC(=O)Cn1cncn1)NC(=O)c1ccc(C#N)[nH]1 1387587943 KGAGAVHSAOQOOW-SNVBAGLBSA-N 315.337 -0.197 30 20 DBED Cc1nn(CC(=O)NC[C@@H](C)N(C)C(=O)[C@H](C)C#N)c(=O)n1C 1395147884 BIIFUSNBGPTQTE-NXEZZACHSA-N 322.369 -0.987 30 20 DBED COCCn1cc(C(=O)NC[C@H](C)NC(=O)[C@H](C)C#N)nn1 1408168178 VLVHSUNEPFQWSU-ZJUUUORDSA-N 308.342 -0.681 30 20 DBED C[C@H](CNC(=O)c1c[nH]c(C#N)c1)NC(=O)[C@H]1CCC(=O)N1 1433370767 RKHYXTHDCWNBGB-LDYMZIIASA-N 303.322 -0.601 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CC[C@H](CN[C@H](C)C(=O)NC(N)=O)CC1 1447078534 OLWGFQTZTBNMFS-DDHJBXDOSA-N 323.397 -0.006 30 20 DBED CNC(=O)NCC(=O)NC1CN(Cc2ccccc2C#N)C1 1481561810 KTDZRCOTSFWDBU-UHFFFAOYSA-N 301.350 -0.212 30 20 DBED COCCN(CCNC(=O)c1cc(C#N)c[nH]1)[C@@H](C)C(N)=O 1508044044 TXRTWNXSCSTVRV-JTQLQIEISA-N 307.354 -0.562 30 20 DBED N#Cc1ccc(C(=O)NC[C@H](O)CNC(=O)[C@H]2CCCOC2)[nH]1 1533204886 JJWSBXKYJZPOSQ-CMPLNLGQSA-N 320.349 -0.480 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@@H](N)C2(C)C)CC1 1574707390 RDUFPCOFHGQUDT-QWHCGFSZSA-N 306.410 -0.747 30 20 DBED N#Cc1ccc(N2CCN(C(=O)N[C@@H]3CNOC3)CC2)cn1 1580067254 LSOMUGHCWGFTHX-GFCCVEGCSA-N 302.338 -0.312 30 20 DBED C#CC[C@@H](CCOC)NC(=O)[C@@H]1CCCN(CC(=O)O)C1=O 1588389382 UCSXIOHJARZMOB-RYUDHWBXSA-N 310.350 -0.146 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN(C)C[C@@H](C(=O)O)C1 1588547461 KFKBIMAYHJKMKM-OLZOCXBDSA-N 311.382 -0.068 30 20 DBED N#CCCCNC(=O)C(=O)NCc1ccc(-c2nn[nH]n2)cc1 1592676230 HKVCPGQWZNCXAD-UHFFFAOYSA-N 313.321 -0.097 30 20 DBED C[C@H]1CN(c2cnc(-c3nn[nH]n3)c(C#N)n2)CC[S@@](=O)C1 1603940875 KKUQNMRLRWFNET-QSIZCVBASA-N 318.366 -0.267 30 20 DBED N#Cc1ncn(CCNc2ncc(-c3nn[nH]n3)cc2F)n1 1606398529 IGVYTPHSGRQGCR-UHFFFAOYSA-N 300.261 -0.024 30 20 DBED Cn1cc(C#N)c(NC(=O)N2CCC([C@H](O)C(=O)O)CC2)n1 1608093557 MUNFMJWZIKSVON-JTQLQIEISA-N 307.310 -0.019 30 20 DBED C#CCCS(=O)(=O)NC(=O)c1cccc(-c2nn[nH]n2)n1 1609020503 MAKYCWRTPKGIIT-UHFFFAOYSA-N 306.307 -0.655 30 20 DBED CC#CC[C@H](NS(=O)(=O)c1cnn(CC(=O)O)c1)C(=O)O 1609489038 SCCBRMHXEFXBHS-VIFPVBQESA-N 315.307 -0.887 30 20 DBED CCN(CCC#N)C(=O)COC(=O)Cn1cc([C@@H](C)O)nn1 1649741548 IZFASDXZTIKPFW-SNVBAGLBSA-N 309.326 -0.363 30 20 DBED C[C@@H](NCC#N)[C@@H]1CCCN(C(=O)CS(=O)(=O)N(C)C)C1 1753801477 OJOITWIXEXYMPH-VXGBXAGGSA-N 316.427 -0.382 30 20 DBED C=CCNC(=O)[C@@H](C)NC[C@@H]1CCCN1C(=O)c1nnn(C)n1 1754615330 KOWRMZAUVSVILA-MNOVXSKESA-N 321.385 -0.905 30 20 DBED C=CCNCC[C@H]1CCN(C(=O)CNS(=O)(=O)NC)C1 1754923441 OYXXRBWCJPEKSB-NSHDSACASA-N 304.416 -0.946 30 20 DBED COCC#CCN1C[C@@H]2C(CNC(=O)Cc3ccn(C)n3)[C@H]2C1 1755424419 YVJFTIYNCNXKFU-HZPDHXFCSA-N 316.405 -0.094 30 20 DBED C#CCNC(=O)CNCCC[C@H](C)NC(=O)c1cnc(C)[nH]1 1755489920 GOHWUNQOXNVTPE-NSHDSACASA-N 305.382 -0.044 30 20 DBED CC#CCNC[C@@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1cncn1C 1755788532 VAPOJIFYLGYLEB-MGPQQGTHSA-N 304.394 -0.044 30 20 DBED C=C(C)CCNC[C@@H](O)CN(C)C(=O)c1cn(C)c(=O)nc1O 1755794877 AMRUZYPWQWGMKQ-LLVKDONJSA-N 324.381 -0.525 30 20 DBED C#CCNC(=O)CN(C)C[C@H](O)CN(C)C(=O)[C@@H]1[C@H]2CCC[C@H]21 1755799564 PSRCOQUMKAYOSN-TTZDDIAXSA-N 321.421 -0.467 30 20 DBED C=CCC1(C(=O)NC[C@H](CO)NC(=O)CNC(C)=O)CCC1 1756548694 SVZPLLVGLIEVFN-GFCCVEGCSA-N 311.382 -0.538 30 20 DBED C#CCOCCC(=O)N[C@H]1CCN(C(=O)CCNC(N)=O)[C@H]1C 1756565824 NMVJKPPARDNLJA-RYUDHWBXSA-N 324.381 -0.810 30 20 DBED C=CCCOCC(=O)N[C@H]1C[C@@H](C)N(C(=O)CNC(C)=O)C1 1756576416 SCUFGUCELFCCOM-YPMHNXCESA-N 311.382 -0.179 30 20 DBED NC[C@H](N)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC1CC1 1793469431 WPIKSJUSNGCXEW-CRWXNKLISA-N 304.394 -0.676 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cccnc1 1795864201 QCZLTRLKOWCJIA-XOIINTDNSA-N 313.357 -0.153 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccn(CC)n1)C2 1800451372 YZLQHUJOTOBWQX-JJLQDPRZSA-N 316.361 -0.261 30 20 DBED C=CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(=O)N(C)C)C2 1800997773 GOFCEIUUGNMEKZ-PTEHBNRSSA-N 309.366 -0.760 30 20 DBED N#CCCC(=O)N1CCCC2(CCN(C(=O)[C@@H](N)CN)CC2)C1 1809511237 YBGPEJNNSMZDLL-ZDUSSCGKSA-N 321.425 -0.193 30 20 DBED CC(F)(F)C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846195252 UBBUCQWJYBEQPJ-UHFFFAOYSA-N 300.261 -0.067 30 20 DBED C=CCNC(=O)CNC(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O 271970455 HRXLXCPPFISTBI-NSHDSACASA-N 320.353 -0.873 30 20 DBED C[C@@H](O)[C@H](NS(=O)(=O)c1c(F)cc(C#N)cc1F)C(=O)O 274970623 WGJQBEPMLANHKJ-ANLVUFKYSA-N 320.273 -0.051 30 20 DBED COCCN1CN(S(=O)(=O)c2ccc(C#N)cc2)CC1=O 282438928 MVFWBZLZFDUFGK-UHFFFAOYSA-N 309.347 -0.005 30 20 DBED C=CCS(=O)(=O)CCNS(=O)(=O)c1cncc(C#N)c1 289478584 NWYFVXSSFGMXLJ-UHFFFAOYSA-N 315.376 -0.168 30 20 DBED C=C[C@H](CO)NC(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O 290900695 CJNANEXQFQYTPJ-GHMZBOCLSA-N 307.354 -0.238 30 20 DBED C#CCNC(=O)CN1CCCN(c2nccc(OC)n2)CC1 299585757 JNYKCHQUKAFOIC-UHFFFAOYSA-N 303.366 -0.253 30 20 DBED CN1CCCC(C)(C)[C@@H]1CN/C(O)=N/CCS(N)(=O)=O 330370706 GEXOLPLWQCFGKB-JTQLQIEISA-N 306.432 -0.101 30 20 DBED CNC(=O)[C@@H]1CCCCN1S(=O)(=O)N1CCO[C@@H](C#N)C1 336936805 GJTBOXBRBKVPCQ-QWRGUYRKSA-N 316.383 -0.944 30 20 DBED C[C@]1(CNS(=O)(=O)N2CCO[C@@H](C#N)C2)CCCC[C@H]1O 337070656 OEOOEBUOBAPXMS-YNEHKIRRSA-N 317.411 -0.014 30 20 DBED CC[C@]1(CO)CCCN(S(=O)(=O)N2CCO[C@H](C#N)C2)C1 337161938 VDFOTYIOSOFRKY-OLZOCXBDSA-N 317.411 -0.060 30 20 DBED C=C[C@H](C)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O 342481448 PQSZGCTXJNFTAX-JRGKLULKSA-N 321.337 -0.576 30 20 DBED CCS(=O)(=O)N1CCC[C@@H](C(=O)N2CCOC[C@@H]2C#N)C1 408246438 MCHSSWBPIHOXPR-NEPJUHHUSA-N 315.395 -0.201 30 20 DBED Cc1ccoc1C(=O)NCCCNC(=O)Cn1cnc(C#N)n1 426866139 FVYUMHCITOEBCK-UHFFFAOYSA-N 316.321 -0.013 30 20 DBED COC(=O)CCN1CC[C@H](NC(=O)c2ccc(C#N)n2C)C1=O 450326442 HQPPMVJAIYFWOJ-NSHDSACASA-N 318.333 -0.209 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)C[C@](C)(O)C=C)CC1 491040435 UCYVWPHTXWZXKU-MRXNPFEDSA-N 307.394 -0.403 30 20 DBED C#CCNC(=O)CN1CCN(Cc2nc(CCOC)no2)CC1 491209130 CAPYDYYUEIWKNX-UHFFFAOYSA-N 321.381 -0.875 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)Cc2cnn(CC)c2)CC1 491535307 BKRTYWFXHKZCDN-UHFFFAOYSA-N 317.393 -0.661 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)CN2[C@H](C)CC[C@H]2C)CC1 491727667 GOOAYYTURXRKQK-HUUCEWRRSA-N 320.437 -0.247 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@@]2(C)C[C@H]3CC[C@H]2O3)CC1 491789390 ZOQAMSVNNFCCBX-CPUCHLNUSA-N 319.405 -0.162 30 20 DBED COc1cc(C#N)ccc1NC(=O)C(=O)N1CC[C@H](C(N)=O)C1 546003515 RFTXOAMFQAQMBP-JTQLQIEISA-N 316.317 -0.161 30 20 DBED CN(CCC#N)C[C@H](O)CN[C@@H]1CCN(c2cnn(C)c2)C1=O 568976000 ORNQRGWTTPXUAJ-ZIAGYGMSSA-N 320.397 -0.679 30 20 DBED Cc1cc(NC(=O)C(=O)N(C[C@@H](O)CO)C(C)C)ncc1C#N 576766469 SFVIHISBXKGNKC-GFCCVEGCSA-N 320.349 -0.210 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(Cc2snnc2C)c1=O 581432167 MNVPKFKQXWXPMC-UHFFFAOYSA-N 321.362 -0.248 30 20 DBED N#CCCN(Cc1ccco1)C(=O)Cn1cnc(C(N)=O)n1 593443322 ODSUDIKBFDHYOJ-UHFFFAOYSA-N 302.294 -0.088 30 20 DBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](C#N)CO 597740946 JJDLKTBBNVMRLF-GXSJLCMTSA-N 322.346 -0.774 30 20 DBED N#CCCN1CCN(C(=O)C(=O)N2C[C@H]3CCC[C@]3(N)C2)CC1 601583573 QRXXPUMZIJHZNQ-CJNGLKHVSA-N 319.409 -0.616 30 20 DBED Cc1nnc(CCNc2c(C#N)c(=O)n(C)c(=O)n2C)n1C 616176590 BNVUMQGRJUXRFF-UHFFFAOYSA-N 303.326 -0.953 30 20 DBED CC#CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)NC)cc1 682283021 WWOPTXRGWBMSEA-UHFFFAOYSA-N 309.347 -0.327 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N=c2sccn2C)C1=O 748523058 KECSWDCQHWHFQL-UHFFFAOYSA-N 308.319 -0.509 30 20 DBED C#C[C@@H](NCC(=O)N1CCN(C(=O)C2CC2)CC1)[C@@H]1CCCO1 775802009 XWZKJEKCRDZEBH-CABCVRRESA-N 319.405 -0.162 30 20 DBED C=CCS(=O)(=O)CCNC(=O)c1cccc(-n2cnnn2)c1 783546729 BOIZNAAKXHDXOX-UHFFFAOYSA-N 321.362 -0.007 30 20 DBED Cn1c(=O)c2nc(COC(=O)CSCC#N)[nH]c2n(C)c1=O 785156203 JKBXLJGMZAQDPA-UHFFFAOYSA-N 323.334 -0.740 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N1CC[C@@](C)(C(N)=O)C1 793043137 HMGSCSHOQPPJTH-GFCCVEGCSA-N 303.384 -0.506 30 20 DBED C[C@H]1COC(=O)C1=NNC(=S)NCCCN1CCOCC1 794869913 FVDHXUOVUWZVMI-JTQLQIEISA-N 314.411 -0.278 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCC(CO)(OC)CC1)[C@@H]1CCCO1 809312089 XRTSLUCTWKVQHW-STQMWFEESA-N 324.377 -0.717 30 20 DBED COC(=O)CN(CC#N)C(=O)c1cc(-c2nn[nH]n2)cn1C 821662585 JMDJZMOMAPQKFG-UHFFFAOYSA-N 303.282 -0.656 30 20 DBED C#Cc1cccc(NC(=O)C(=O)N[C@@H]2CCC(=O)N(C)C2=O)c1 824668036 KYZFJYHHKQRURE-GFCCVEGCSA-N 313.313 -0.130 30 20 DBED O=S1(=O)CC[C@H](NN=Cc2ccccc2-c2nn[nH]n2)C1 826496884 MQMHFVPFBYVNJB-JTQLQIEISA-N 306.351 -0.023 30 20 DBED C#CC[C@@H](NC(=O)c1cccc(S(=O)(=O)NC)c1)C(=O)OC 837929758 DGOSKMTYEFIIRN-GFCCVEGCSA-N 324.358 -0.111 30 20 DBED C[C@@H](C#N)CN(C)C(=O)C(=O)N1CC[C@@H]2COC(=O)N[C@H]2C1 843257957 WXSOKPOHLPVRQH-AXFHLTTASA-N 308.338 -0.439 30 20 DBED C[C@H](N)C[C@@H](C)NC(=O)C(=O)NCCNc1ncccc1C#N 843260172 VHXDIRMIKXCELZ-WDEREUQCSA-N 318.381 -0.277 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N1CCO[C@@H](COC)C1 875595316 AFEGGLMSXBCJON-QWHCGFSZSA-N 312.366 -0.595 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N1CCN(C(C)=O)C[C@@H]1C 875597423 CZIWKJGGOMXGSG-JSGCOSHPSA-N 323.393 -0.390 30 20 DBED C=C[C@](C)(O)Cc1nc(CCN2CCN(CC)C(=O)C2=O)no1 896174586 HODXPROGMYRKHH-HNNXBMFYSA-N 322.365 -0.218 30 20 DBED CCc1nsc(N2CCN(C(=O)NCC#CCO)CC2)n1 923778065 PAOZOBLOGCSOQI-UHFFFAOYSA-N 309.395 -0.072 30 20 DBED C#CCN1CCC(NC(=O)Cc2ccc(C(N)=O)nc2)CC1 928660661 NEEHHZOEHJULOH-UHFFFAOYSA-N 300.362 -0.063 30 20 DBED C[C@@H](C#N)C(=O)N1CCCN(C(=O)CCc2cnn[nH]2)CC1 942153052 NVHNHRDKWHGOEK-NSHDSACASA-N 304.354 -0.042 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)C[C@H]1C 948069209 DIKZNXVSMYIOKX-NEPJUHHUSA-N 318.381 -0.631 30 20 DBED CN(C(=O)[C@@H]1CC(=O)NC(=O)N1)[C@H]1CCCN(CC#N)CC1 948820918 UZYBRYDSPJPNHS-QWRGUYRKSA-N 307.354 -0.579 30 20 DBED C[C@H]1CC(=O)N[C@@H](C(=O)N(C)C2CN(C(=O)C#CC3CC3)C2)C1 954399205 RPGIVDVZFRBDKQ-BXUZGUMPSA-N 317.389 -0.016 30 20 DBED O=C1NC[C@H](C(=O)NC[C@@H]2CCCN2C(=O)C#CC2CC2)N1 956003800 ACUZIZPPAAYKSS-NWDGAFQWSA-N 304.350 -0.812 30 20 DBED C=CCCN1C[C@H](O)[C@H](CNC(=O)c2cn(C)ccc2=O)C1 958249261 SRQDADYLHCWXLL-DOMZBBRYSA-N 305.378 -0.016 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cnc(COC)s2)C1 958744058 FEEJMBZQEXGCNQ-WDEREUQCSA-N 309.391 -0.055 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(O)n2)C1 958787082 MUETYZRRRRSMMS-USWWRNFRSA-N 318.333 -0.409 30 20 DBED N#CCN1C[C@@H]2C(NC(=O)Cn3nnc(-c4ccco4)n3)[C@H]2C1 960721121 BACRJXNZTFXMMX-UWVGGRQHSA-N 313.321 -0.497 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H]2CN(C(=O)Cc3cnoc3)C[C@@H]21 960880297 UYOWCCBFWXVELE-KGYLQXTDSA-N 318.333 -0.185 30 20 DBED C=CCCN1CCN(S(=O)(=O)C2CN(C(C)=O)C2)CC1 961075998 PMAPTSQOSOTJFN-UHFFFAOYSA-N 301.412 -0.259 30 20 DBED C#Cc1ccc(C(=O)NC2[C@@H]3CN([C@@H]4CCNC4=O)C[C@@H]23)cn1 962326236 MWLBJBFSMQCDMT-MGPQQGTHSA-N 310.357 -0.389 30 20 DBED CCn1ncc(C(=O)NC[C@@H]2COCCN2C(=O)[C@H](C)C#N)n1 964181168 QSIFIFQKFIGSPR-GHMZBOCLSA-N 320.353 -0.585 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1COC(=O)N1 968939314 JQKUTLNKWBAVNG-CHWFTXMASA-N 306.322 -0.544 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CCNC1=O 969534620 CHIBRTDYIYTSOC-WYUUTHIRSA-N 304.350 -0.516 30 20 DBED C=C(C)CN[C@@H]1CCN(C(=O)c2cn(CC(=O)N(C)C)nn2)C1 970799458 DJUGJRDTMLMBIH-GFCCVEGCSA-N 320.397 -0.254 30 20 DBED C#CCCN1CCO[C@]2(CCN(C(=O)[C@@H]3COC(=O)N3)C2)C1 972365382 SIDVRELOMSJNPA-SWLSCSKDSA-N 307.350 -0.579 30 20 DBED C=CCN1CCO[C@@]2(CCN(C(=O)CN3C(=O)CNC3=O)C2)C1 972667681 QRASLQJSTRUIGE-HNNXBMFYSA-N 322.365 -0.973 30 20 DBED C#CCN1C[C@H]2C(CNC(=O)[C@H]3C[C@H](OC)CN3C(C)=O)[C@@H]2C1 978527221 QVZHHLAVVGGVCL-QCEMKRCNSA-N 319.405 -0.451 30 20 DBED Cn1cnn(CC(=O)N[C@@H]2CC[C@@H]3CN(CC#N)C[C@@H]3C2)c1=O 980080158 AZOPKIBJRBPODX-FRRDWIJNSA-N 318.381 -0.678 30 20 DBED C#CCN1CCCC2(C1)CN(C(=O)CN1C(=O)CNC1=O)C2 982141814 SSWGRNQIROWMQE-UHFFFAOYSA-N 304.350 -0.904 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2CCC[C@H](NC(=O)C(N)=O)C2)[nH]1 983574765 AMQJKPYVOIJFFU-IUCAKERBSA-N 303.322 -0.471 30 20 DBED C#Cc1ccc(C(=O)N2CCC[C@H](N(C)C(=O)C(N)=O)C2)nc1 984448248 YBSWGTYKYBXJTP-LBPRGKRZSA-N 314.345 -0.389 30 20 DBED COCCn1nc(C(=O)N2C[C@H](NCC#N)C[C@@H]2C)ccc1=O 989140903 CMFNHESTBWDZHG-NWDGAFQWSA-N 319.365 -0.394 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CCN(C(=O)C(F)F)C[C@@H]2O)c1 991377922 DTUWBOOVSHZVLK-SCZZXKLOSA-N 312.276 -0.157 30 20 DBED O=C(N[C@@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1O)[C@@H]1[C@H]2COC[C@H]21 991694054 JQWXIKMBCHQYRX-AQRJEWBLSA-N 318.373 -0.630 30 20 DBED C#CCNC1CC(N(C)C(=O)CN2C(=O)NC(=O)C2(C)C)C1 999648191 XDLHSMFHEZUWJE-UHFFFAOYSA-N 306.366 -0.471 30 20 DBED C#CCN1CC[C@@H](n2cc(CNC(=O)c3ccnnc3)nn2)C1 1000023507 CNMLSTVHQLPPKT-CQSZACIVSA-N 311.349 -0.122 30 20 DBED C=C(C)CN[C@H]1CCCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 1000961654 VHDYNVGSQSRKJQ-NWDGAFQWSA-N 301.412 -0.165 30 20 DBED NC(=O)C1(C(=O)N2C[C@H]3CC[C@H]2CN3C(=O)C#CC2CC2)CC1 1007314171 NCNIBAKUODXHTC-OLZOCXBDSA-N 315.373 -0.133 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CC[C@H]1CN2C(=O)C(N)=O 1007345344 JCJSKXIYDKMUPS-RNJOBUHISA-N 321.377 -0.345 30 20 DBED CC(C)(C(N)=O)C(=O)N1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 1011019707 HXSSNYDXHIRPOD-UHFFFAOYSA-N 317.349 -0.318 30 20 DBED CC#CCN1CC[C@H](NC(=O)Cc2ccc(C(N)=O)nc2)C1 1014942467 UHOQWJJGAZAUNH-ZDUSSCGKSA-N 300.362 -0.063 30 20 DBED C#CCN1CC[C@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 1015455896 KSFFYVKTWGFIKJ-JTQLQIEISA-N 300.326 -0.869 30 20 DBED Cn1cc(C(=O)N[C@H]2CC23CCN(CC#N)CC3)c(O)nc1=O 1016968945 QPGXBUGUZFPHTK-NSHDSACASA-N 317.349 -0.406 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)C(N)=O)C[C@H](C)O2)C1 1017850029 WAAZBXIGBAKLGN-ZBEGNZNMSA-N 323.393 -0.098 30 20 DBED C[C@H](C#N)C(=O)N1CCCO[C@H](CNC(=O)c2cncnc2)C1 1019571676 HQXNYIZAVOAECN-DGCLKSJQSA-N 317.349 -0.016 30 20 DBED C=CCN1CC[C@@H](N[C@H]2C[C@@H](NC(=O)Cn3cccn3)C2)C1=O 1021836665 WHUFVEVVSCEOON-HZSPNIEDSA-N 317.393 -0.093 30 20 DBED C#CCN1CCC[C@H](CNC(=O)[C@H]2CCN(C)S2(=O)=O)C1 1023645170 ZLJQSLQGLSIPSH-CHWSQXEVSA-N 313.423 -0.518 30 20 DBED C#CCN1CCCC[C@@H]1CNC(=O)c1cn(C)c(=O)n(C)c1=O 1024685879 POZAMCMVECLFOJ-GFCCVEGCSA-N 318.377 -0.699 30 20 DBED C=CCN[C@@H]1CC[C@H]2CN(C(=O)CN3C(=O)CN(C)C3=O)C[C@@H]21 1026415804 LUPJTPIDHVPXMO-RWMBFGLXSA-N 320.393 -0.107 30 20 DBED COc1c(O)nc(O)nc1C(=O)N1CCC[C@@H](N(C)CC#N)C1 1027648801 WLUVLZOZBHCFOD-SECBINFHSA-N 321.337 -0.044 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2CCN([C@H](CC)C(N)=O)C2)nn1 1028852683 MDHFXNYAPOHZSF-DGCLKSJQSA-N 320.397 -0.220 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)C[C@@H]3COC(=O)C3)C2)C1=O 1030216875 MXYICEFOUCJMGC-AAEUAGOBSA-N 321.377 -0.473 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)Cc3ccn(C)n3)C2)C1=O 1030295879 IPFHBJADEASYBA-AWEZNQCLSA-N 317.393 -0.450 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)[C@H]2CCc3cnn(C)c3C2)C1 1035491507 QPADTHWRFVPACE-ZFWWWQNUSA-N 316.405 -0.025 30 20 DBED C=CCN1CCO[C@@H](CNC(=O)[C@H]2CCCS2(=O)=O)C1 1035612376 YMVUYJYXJYELGP-NWDGAFQWSA-N 302.396 -0.433 30 20 DBED C=C(C)CN[C@H]1CCN(C(=O)CN2CC(=O)NC2=O)C[C@@H]1C 1036214519 JIJVTYQPFAYMRA-RYUDHWBXSA-N 308.382 -0.059 30 20 DBED N#CCN1CC[C@H]1CNC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 1038248852 ZGPDGPHLZZTMMN-QWRGUYRKSA-N 302.338 -0.523 30 20 DBED C#CCCCC(=O)NC[C@@]1(O)CCN(C(=O)c2ncccn2)C1 1039573905 MDGHEVVWIJMWGU-INIZCTEOSA-N 316.361 -0.027 30 20 DBED C#CCCCC(=O)NC[C@]1(O)CCN(C(=O)[C@H]2CCCN2C)C1 1039574504 ULNHCWYLPWOUQX-RHSMWYFYSA-N 321.421 -0.036 30 20 DBED CCn1ncc(C(=O)NC[C@@]2(O)CCN(C(=O)[C@@H](C)C#N)C2)n1 1039630857 CGRPKGWSPJUPEH-HZMBPMFUSA-N 320.353 -0.849 30 20 DBED C[C@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)c2cn(C)cn2)C1 1040763879 SHPGFRXMLDAHQU-QMTHXVAHSA-N 305.338 -0.727 30 20 DBED COc1nc(C(=O)N2CC[C@@](O)(CNC(=O)[C@H](C)C#N)C2)co1 1040765739 KPVSIENLKBFGBH-YMTOWFKASA-N 322.321 -0.464 30 20 DBED C#CCN1CC[C@]2(CCN(C(=O)CCn3ncn(C)c3=O)C2)C1 1041504897 DDRJJKOXLJDVMN-INIZCTEOSA-N 317.393 -0.471 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)c2ccccc2O)C1 1041543907 UOUMYWBNCGBNPT-JTQLQIEISA-N 303.318 -0.145 30 20 DBED CC#CCN1CC[C@]2(CCN(C(=O)C3CC(=O)NC(=O)C3)C2)C1 1041740869 FLHRENHMPPQTLS-KRWDZBQOSA-N 317.389 -0.013 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)C(=O)N2CC[C@H](C)C2)C1 1041960781 VGFAOZQABUUKHE-LBPRGKRZSA-N 323.393 -0.490 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)Cc2cccnc2)C1 1042562136 VBHXIWBAWBDQIR-UHFFFAOYSA-N 319.361 -0.484 30 20 DBED C=C(C)C(C)(C)C(=O)N1CC(O)(CNC(=O)CC(=O)NC)C1 1042741540 NPJPGYYPKBWPND-UHFFFAOYSA-N 311.382 -0.586 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(O)CN(C(=O)C2CC=CC2)C1 1042806521 HMUUFCUCOVDKBI-OAHLLOKOSA-N 308.378 -0.031 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(O)CN(C(=O)[C@H]2CCCO2)C1 1042810168 UYWVAIUCISXZLN-RISCZKNCSA-N 312.366 -0.818 30 20 DBED C=C1CC(C)(C(=O)N2CC(O)(CNC(=O)c3ncn(C)n3)C2)C1 1042895186 HQSUJKZSZHBRFF-UHFFFAOYSA-N 319.365 -0.526 30 20 DBED CN(C(=O)[C@H]1CNC(=O)N1)C1CN(Cc2ccccc2C#N)C1 1043711138 QHUSLMXPVYHGIM-CQSZACIVSA-N 313.361 -0.118 30 20 DBED N#Cc1nccnc1N1C[C@H](O)[C@H](NC(=O)c2ccncn2)C1 1044117817 MGZAVEMKHSIPTF-NEPJUHHUSA-N 311.305 -0.882 30 20 DBED N#Cc1cnc(N2C[C@H](O)[C@H](NC(=O)c3ccncn3)C2)cn1 1044118292 UCVUGOKGMGKHTM-NEPJUHHUSA-N 311.305 -0.882 30 20 DBED N#CCN1CCC2(CC1)CO[C@@H](CNC(=O)[C@H]1CCNC1=O)C2 1045676661 HQZUZAATBPUIOX-OLZOCXBDSA-N 320.393 -0.367 30 20 DBED C#CCCN1CCC(F)(F)[C@H](CNC(=O)[C@H]2CNC(=O)N2)C1 1046968598 KKCSBVCEXTYKTN-GHMZBOCLSA-N 314.336 -0.236 30 20 DBED C=CCOCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC(N)=O)C2 1047398966 HETJLFCHGUJQPX-SRVKXCTJSA-N 309.366 -0.440 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3cncn3C2)C1 1047436315 WRSIFHUKEGWXHH-BPUTZDHNSA-N 316.405 -0.028 30 20 DBED CN(C(=O)c1cnn2cccnc12)[C@H]1CN(CC#N)C[C@@H]1O 1047479445 MLSDUXLXQQMLGQ-RYUDHWBXSA-N 300.322 -0.630 30 20 DBED CC(=O)N1CCC(C(=O)N(C)[C@H]2CN(CC#N)C[C@@H]2O)CC1 1047621722 YXCATIRIWRGDPL-KBPBESRZSA-N 308.382 -0.728 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CC2CC2)C1 1048002749 DAQHGWGAMYBXEO-UBHSHLNASA-N 308.378 -0.145 30 20 DBED C=CCOCC(=O)N(C)[C@H]1CN(C(=O)c2ccn(C)c2)C[C@@H]1O 1048555428 XNYRHANWKGMDEP-KBPBESRZSA-N 321.377 -0.129 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1O 1049402674 VRJNSHIFBHFPTI-AVGNSLFASA-N 322.409 -0.340 30 20 DBED C#CCCN1CC[C@@H]2[C@@H]1CCCN2C(=O)CN1CCOCC1=O 1049521197 GXGIROCBZNPKTL-LSDHHAIUSA-N 319.405 -0.066 30 20 DBED C[C@@H]1[C@@H](NC(=O)[C@H]2CCC(=O)N2)CCN1c1cnc(C#N)cn1 1050095802 DGQAFYDKOJMRGZ-ADEWGFFLSA-N 314.349 -0.290 30 20 DBED CCCN1C[C@@H](C(=O)NC[C@H]2COCCN2CC#N)CC1=O 1051138475 XRPBUMGYQPWKMG-STQMWFEESA-N 308.382 -0.415 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2COCCN2C[C@H](C)O)nc1 1051215320 VHXSBSYYZORMJZ-GXTWGEPZSA-N 303.362 -0.126 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H](C)[C@H](CNC(=O)C(F)F)C1 1052396586 HAKDPAMPQNOTAI-VHSXEESVSA-N 315.320 -0.398 30 20 DBED CCN1CCO[C@H](C(=O)N2CCOC3(CN(CC#N)C3)C2)C1 1053537529 HWSJNKWQSTXJJG-ZDUSSCGKSA-N 308.382 -0.856 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)C3CCC(C(N)=O)CC3)CO2)C1 1053855661 SVBBPJHIASRWCQ-WXRRBKDZSA-N 320.393 -0.239 30 20 DBED C=CCN1CC2(C[C@@H](NC(=O)CN3CCC(=O)NC3=O)CO2)C1 1053976427 VABIBXIMHUYGNI-LLVKDONJSA-N 322.365 -0.926 30 20 DBED N#Cc1nccnc1N1CCN(C(=O)C[C@H]2CCNC2=O)CC1 1055923751 MKOJGKBBOWUZQC-LLVKDONJSA-N 314.349 -0.477 30 20 DBED C#CCO[C@H](C)C(=O)NCCN(CCO)C(=O)CCOCC 1057185512 PCXWRSUXWQUZHY-CYBMUJFWSA-N 314.382 -0.612 30 20 DBED C=CCO[C@H](C)C(=O)NCCN(CCO)C(=O)c1cnon1 1058513722 MESMBLMCETVOEJ-SNVBAGLBSA-N 312.326 -0.789 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)CN1CC[C@@H](C)C1 1058845875 YKLFDGWWHLZFJN-OLZOCXBDSA-N 310.398 -0.575 30 20 DBED N#Cc1cnc(N[C@H]2C[C@H](NC(=O)[C@H]3CC[C@H]3C(N)=O)C2)cn1 1059368384 QRARRQHBOMYXPJ-IQIPOGNMSA-N 314.349 -0.081 30 20 DBED N#Cc1cncc(N2CCC[C@@H]2CNC(=O)[C@@H]2COC(=O)N2)n1 1061353413 JNRJPVCLBBSUJK-MNOVXSKESA-N 316.321 -0.458 30 20 DBED C=CCOCC(=O)NC[C@H]1COCCN1C(=O)c1c[nH]nc1C 1061419371 JYCQYFNTMZJFEF-LBPRGKRZSA-N 322.365 -0.122 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)CCc1cn[nH]c1 1061853821 UXBJPECISPJJJA-WCQYABFASA-N 319.365 -0.154 30 20 DBED C#CCNC(=O)CC(=O)N1CCOC[C@@H]1CNC(=O)C(C)(C)C 1061890487 IDQBFXXQTFTPKS-LBPRGKRZSA-N 323.393 -0.484 30 20 DBED C=CCCOCC(=O)N1CCCC[C@@H]1CNC(=O)CC(N)=O 1062257721 VUHPQPWWZHOJDU-GFCCVEGCSA-N 311.382 -0.048 30 20 DBED Cn1ncc(C(=O)N2C[C@@H]3C[C@H]2CN3c2cncc(C#N)n2)c1N 1062479789 LRYUPTIZICPMEM-QWRGUYRKSA-N 324.348 -0.233 30 20 DBED N#Cc1cc(C(=O)NC2(CNC(=O)CC(N)=O)CCC2)c[nH]1 1062733019 MQSFVCBPWYKTBV-UHFFFAOYSA-N 303.322 -0.470 30 20 DBED CN(C(=O)Cn1nccn1)[C@@H]1CCN(c2nccnc2C#N)C1 1062983687 FYIYLXLSSBAINZ-LLVKDONJSA-N 312.337 -0.323 30 20 DBED N#Cc1nccc(N2CCO[C@H](CNC(=O)[C@H]3CCOC3)C2)n1 1063619301 RSQCOHTUGXGENM-NWDGAFQWSA-N 317.349 -0.294 30 20 DBED CO[C@@H](C)C(=O)NC[C@@H]1CN(C(=O)CSCC#N)CCO1 1064880714 GNQUOUHXCLWRKM-WDEREUQCSA-N 315.395 -0.378 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)c2cnnn2C)CCO1 1065108010 MOTHWNFTBUTMEY-LLVKDONJSA-N 307.354 -0.262 30 20 DBED CN(C)CCC(=O)NC[C@H]1CN(C(=O)C#CC2CC2)CCO1 1065137039 KVDSFNIYGNFZRE-AWEZNQCLSA-N 307.394 -0.305 30 20 DBED C=C(C)CCC(=O)N1CCO[C@@H](CNC(=O)c2nnn(C)n2)C1 1065226406 HREKTOXQXURZOB-NSHDSACASA-N 322.369 -0.476 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CN(C(=O)CCc2cnn[nH]2)CCO1 1065631836 DHGOVBAGMXUCOQ-ZYHUDNBSSA-N 320.353 -0.759 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H]1CN(C(=O)c2cnn[nH]2)CCO1 1066691308 PQVPMOTZONCJQN-LLVKDONJSA-N 313.321 -0.554 30 20 DBED C[C@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1Nc1nccnc1C#N 1067049063 INYKBUAKTVAXAO-GXSJLCMTSA-N 323.378 -0.348 30 20 DBED N#Cc1nccnc1N1C[C@H]2C(CNC(=O)c3cnon3)[C@@H]2C1 1068180318 HDECXODQGQRENV-UWVGGRQHSA-N 311.305 -0.157 30 20 DBED C=CCC(CC=C)C(=O)N1CCOC2(CN(C(=O)C(N)=O)C2)C1 1068400099 APHHRKPEOAUZNE-UHFFFAOYSA-N 321.377 -0.320 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC2(C[C@@H](NC(=O)C(F)F)CO2)C1 1068642423 UBBNDUDLIAEAPV-VHSXEESVSA-N 316.304 -0.224 30 20 DBED C=CCCOCC(=O)N[C@@H]1CCCN(C(=O)CNC(C)=O)C1 1070367986 NLRYDFFYWOMRRS-CYBMUJFWSA-N 311.382 -0.178 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CCCN(C(=O)CNC(N)=O)C2)c[nH]1 1070405138 APTFHAJEICJORL-SNVBAGLBSA-N 318.337 -0.725 30 20 DBED N#CCN1CCN([C@H]2CCCN(C(=O)[C@@H]3CCOC3)C2)C(=O)C1 1071255122 GHSLKBGUSYIGOP-KGLIPLIRSA-N 320.393 -0.318 30 20 DBED CC(C)C#CC(=O)N[C@H]1CN(C(=O)C2(NC(N)=O)CC2)C[C@H]1C 1071926459 YHWGKFVKEJRTDM-NEPJUHHUSA-N 320.393 -0.190 30 20 DBED CNC(=O)CC(=O)N1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@H](C)C1 1071968287 UVGHVMFHMHVUOR-BXKDBHETSA-N 317.349 -0.401 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)C(C)(C)C(N)=O 1072038590 GXZJDQSAYMBXSH-ZYHUDNBSSA-N 305.378 -0.126 30 20 DBED C=CCCOCC(=O)N1C[C@H](C)[C@@H](NC(=O)CNC(C)=O)C1 1072329333 JLDBBGGCVWYMIX-AAEUAGOBSA-N 311.382 -0.322 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)c2cncnc2O)C[C@@H]1C 1072339829 PXQPDUOWBRBPIT-CMPLNLGQSA-N 320.349 -0.039 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@H]3OCCN(CCO)[C@@H]3C2)c1 1074204842 IZNBVAWTUUBHBC-ZIAGYGMSSA-N 304.350 -0.206 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(O)(CNC(=O)c2n[nH]cc2F)CC1 1074706834 PRYYNNSESXAUQV-VIFPVBQESA-N 323.328 -0.208 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)c2cn(C)c(C)cc2=O)C1 1077181916 QLAPRZHDUJODAV-UKRRQHHQSA-N 303.362 -0.508 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)c2ccc3nnc(C)n3c2)C1 1077274069 WRKFNGXCFVOWDY-ZIAGYGMSSA-N 313.361 -0.164 30 20 DBED CC(=O)NCc1ccc(C(=O)N[C@@H]2CN(CC#N)C[C@H]2O)cc1 1077321708 KBMQMEXOXFXXNN-HUUCEWRRSA-N 316.361 -0.379 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCCCN2C(C)=O)C1 1077820598 BJJDZEDYVUPILI-RBSFLKMASA-N 307.394 -0.428 30 20 DBED CCN(C(=O)CNC(=O)C1CC1)C1CN(C(=O)C#CC2CC2)C1 1079380983 LPTJLLGLODJSGR-UHFFFAOYSA-N 317.389 -0.015 30 20 DBED C=CCCC(=O)N(CC)C1CN(C(=O)Cn2ncn(C)c2=O)C1 1079474470 YWRFSVSKMCDTHX-UHFFFAOYSA-N 321.381 -0.393 30 20 DBED C=C[C@](C)(O)CC(=O)N(CC)C1CN(C(=O)Cn2cncn2)C1 1079690234 SIPNMSMLEJXJLT-HNNXBMFYSA-N 321.381 -0.336 30 20 DBED CC#CCCCC(=O)N1CC(N(CC)C(=O)Cn2ncnn2)C1 1079828253 MJSULXQWBJOBOQ-UHFFFAOYSA-N 318.381 -0.074 30 20 DBED CCN(C(=O)[C@]1(C)CCNC1=O)C1CN(C(=O)[C@@H](C)C#N)C1 1080549156 SFYMGTDUZKKSGA-ZUZCIYMTSA-N 306.366 -0.268 30 20 DBED COCCC(=O)NC[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1O 1081150254 SCKOIYXRFYHHGM-WCQYABFASA-N 320.349 -0.528 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)c2[nH]nnc2C)C[C@H]1O 1081332453 GJBCUWGGULDBKE-GHMZBOCLSA-N 307.354 -0.372 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)CN2CCCC2)C[C@@H]1O 1081338967 YVOKNKBUGIZBSU-KBPBESRZSA-N 309.410 -0.016 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2cnn(CC)n2)C1 1081453685 XEEKVWDBGPYRAK-DGCLKSJQSA-N 321.381 -0.187 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(C(=O)c2ccc[nH]2)C[C@@H]1O 1081468363 IUWFOLDQHSUPFP-OCCSQVGLSA-N 301.346 -0.023 30 20 DBED CC(C)(C)C#CC(=O)NC[C@H]1CN(C(=O)c2cnon2)C[C@@H]1O 1081476664 JTFALRYURNNYLS-JQWIXIFHSA-N 320.349 -0.332 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(C(=O)C(C)(C)F)C[C@H]1O 1081486750 WMTTYCNRWNNBTQ-VXGBXAGGSA-N 314.357 -0.290 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2nonc2C)C1 1081580402 OCZSUNGJXSNMDG-MNOVXSKESA-N 324.337 -0.870 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)Cc2ccco2)C1 1081684892 MCGPQVSIDNAVFY-GXTWGEPZSA-N 322.361 -0.040 30 20 DBED C=CCCCC(=O)NC[C@@H]1CN(C(=O)Cn2cncn2)C[C@@H]1O 1081705910 WFPMERHGXGDKKF-OLZOCXBDSA-N 321.381 -0.430 30 20 DBED C=CCCC(=O)N1C[C@H](CNC(=O)Cn2cncn2)[C@@H](O)C1 1081787379 FOXZDRSLUVLUIS-RYUDHWBXSA-N 307.354 -0.820 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1ccc(N(C)C)nn1 1082330280 LYQMBBCOHBAFIM-VXGBXAGGSA-N 304.354 -0.505 30 20 DBED C=CCCN1C[C@@H](NC(=O)c2nccnc2C(N)=O)[C@H](OC)C1 1082361213 PFGBFHDYKDBPCR-GHMZBOCLSA-N 319.365 -0.419 30 20 DBED CC#CCN1CC[C@@H]2CCN(C(=O)[C@@H]3CN(C)C(=O)N3)C[C@@H]21 1085006341 ONXIJXJVVBHXBE-RDBSUJKOSA-N 304.394 -0.044 30 20 DBED Cn1nnc(CN[C@H]2C[C@@H](CNC(=O)c3cc(C#N)c[nH]3)C2)n1 1086054548 CBZPVIISZYNTTF-JGZJWPJOSA-N 314.353 -0.292 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCN(CC(=O)NC)[C@@H]2CC)nn1 1087754000 KHRDFIDAWHZGCE-WCQYABFASA-N 320.397 -0.207 30 20 DBED CC(=O)Nc1nc(C(=O)N[C@@H]2CCN(CC#N)C[C@H]2O)cs1 1090380637 FKIJRHWKKXENEF-MWLCHTKSSA-N 323.378 -0.210 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@H]1O 1090407781 CKUFPXFWSHMKCT-XPKDYRNWSA-N 316.361 -0.054 30 20 DBED COc1ccc(CC(=O)N[C@@H]2CCN(CC#N)C[C@@H]2O)nc1 1090509672 GVHAKYOAHHSZDV-KGLIPLIRSA-N 304.350 -0.292 30 20 DBED Cc1nc2ccnn2cc1C(=O)N[C@@H]1CCN(CC#N)C[C@H]1O 1090690889 VJJLZXYZEBOMQL-CHWSQXEVSA-N 314.349 -0.274 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@@H]1O 1091150459 OITUNOHVXCWCGH-OLZOCXBDSA-N 315.333 -0.946 30 20 DBED N#CCSCC(=O)N[C@H]1CCN(c2ncccn2)C[C@@H]1O 1092137182 KINNOOBBFBKTOG-QWRGUYRKSA-N 307.379 -0.211 30 20 DBED Cc1cc(N2C[C@@H](C)[C@H](CNC(=O)C(N)=O)C2)c(C#N)cn1 1092441551 CPCYBRHSFWARHL-BXKDBHETSA-N 301.350 -0.065 30 20 DBED CNC(=O)CCCC(=O)N1CCN(c2ccnc(C#N)n2)CC1 1093148472 KFUKJSYBTHWPAZ-UHFFFAOYSA-N 316.365 -0.087 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@H]2CN(c3cnc(F)cn3)C[C@H]12 1093267098 URCDQXSGHQOQTE-UWVGGRQHSA-N 317.324 -0.694 30 20 DBED C#CCNC(=O)CC(=O)NCCNc1ncnc2c1ncn2C 1093558297 MIXIWBKJERFNDG-UHFFFAOYSA-N 315.337 -0.969 30 20 DBED N#Cc1nccnc1NCCNC(=O)c1cccc(C(N)=O)n1 1093686862 VGGBXYKBAPHWMC-UHFFFAOYSA-N 311.305 -0.316 30 20 DBED CS(=O)(=O)C1(C(=O)NCCNc2nccnc2C#N)CCC1 1093826987 JNAMDWFSKCYGKR-UHFFFAOYSA-N 323.378 -0.156 30 20 DBED C#CCN1CC(n2cc(CNC(=O)c3ncoc3C)nn2)C1 1094277469 KMUIBUPIMXKFJL-UHFFFAOYSA-N 300.322 -0.006 30 20 DBED C#CCN1CC(n2cc(CNC(=O)[C@H]3C[C@@H]3C(=O)OC)nn2)C1 1094279236 DFFUBQZSHALHPV-STQMWFEESA-N 317.349 -0.807 30 20 DBED COc1nn(C)cc1C(=O)NCCCN=c1cc[nH]c(C#N)n1 1094700353 MJQMFBKRMJMQDQ-UHFFFAOYSA-N 315.337 -0.256 30 20 DBED Cc1c(C(=O)N[C@H]2CC(=O)N(C3CN(CC#N)C3)C2)cnn1C 1094702933 HXVFIUUHRGXBHK-NSHDSACASA-N 316.365 -0.733 30 20 DBED C#CCNC(=O)CC(=O)N1CCCN(c2nccc(C)n2)CC1 1095176289 YSAPCYHKQRBZOQ-UHFFFAOYSA-N 315.377 -0.037 30 20 DBED C[C@H](C#N)C(=O)NCCN1CCN(c2cncc(C#N)n2)CC1 1096278480 UIEBIUQYGRWGMG-GFCCVEGCSA-N 313.365 -0.254 30 20 DBED N#Cc1cnc(N[C@@H](CNC(=O)[C@H]2COC(=O)N2)C2CC2)cn1 1096659832 LNGCBDZGQMPNFD-WDEREUQCSA-N 316.321 -0.237 30 20 DBED C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cn(CC(N)=O)nn2)C1 1099174327 IJGLVKPVERKTMO-NHYWBVRUSA-N 318.381 -0.466 30 20 DBED CC1(C)CC[C@@H](CNC(=O)Cn2c(O)nnc2O)N(CC#N)C1 1099324486 MSHZZCMRDIYGGT-JTQLQIEISA-N 322.369 -0.180 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)c2cnn(C)c2)[C@@H](O)C1 1099651641 WMAUOVCNUGDMQO-KBPBESRZSA-N 308.382 -0.212 30 20 DBED N#CCSCC(=O)N[C@H]1CCN(CCn2cncn2)C[C@@H]1O 1099686079 ABPUFHQZLCQCBB-RYUDHWBXSA-N 324.410 -0.914 30 20 DBED COc1cc(CCC(=O)N[C@H]2CCN(CC#N)C[C@@H]2O)on1 1099852836 FVWGMXURAGUVFG-RYUDHWBXSA-N 308.338 -0.309 30 20 DBED N#Cc1nccnc1N1CC[C@H](CNC(=O)C2(C(N)=O)CC2)C1 1101048807 QCWQSQSWXSWWLQ-SNVBAGLBSA-N 314.349 -0.444 30 20 DBED CCCN(CCNC(=O)Cn1cncn1)c1ccc(C#N)nn1 1101145712 XSWNLJYLWGFYSP-UHFFFAOYSA-N 314.353 -0.027 30 20 DBED CN(CCNc1cnc(C#N)cn1)C(=O)c1ccc(=O)n(C)n1 1101613095 FDULLDOYAYPNGB-UHFFFAOYSA-N 313.321 -0.374 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)c1ccc2nn[nH]c2n1 1102015107 MONJSZZLXVHVCR-UHFFFAOYSA-N 323.320 -0.379 30 20 DBED CN(C)C(=O)CC(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(C#N)n1 1102574249 NCVXMODYNUVWFD-QWRGUYRKSA-N 314.349 -0.384 30 20 DBED COCCO[C@H](C)C(=O)NC[C@H](C)CN=c1cc[nH]c(C#N)n1 1104073514 LVCZUZOOONWMCI-VXGBXAGGSA-N 321.381 -0.014 30 20 DBED C[C@@H](CNC(=O)C[C@@H](C)NC(N)=O)CNc1ccc(C#N)nn1 1104098889 GGINYCOSYRFBID-NXEZZACHSA-N 319.369 -0.041 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CC(=O)N(C)C1)CNc1nccnc1C#N 1104254760 NFWXKLIMABGIKL-GHMZBOCLSA-N 316.365 -0.009 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](C)N(C)C(=O)Cn2cnnn2)n1 1104448167 YPWAWLLEPUMMQW-SNVBAGLBSA-N 315.341 -0.398 30 20 DBED C#CCNCc1cn(C2CN(C(=O)c3ncoc3C)C2)nn1 1105178696 LIPAXOOHPVEUSO-UHFFFAOYSA-N 300.322 -0.006 30 20 DBED C#CCCCC(=O)N1CC(n2cc(CN[C@H](C)C(N)=O)nn2)C1 1105225454 SVSRFEBOAALIOG-LLVKDONJSA-N 318.381 -0.572 30 20 DBED N#CCNCc1cn(C2CN(C(=O)CCCCC(N)=O)C2)nn1 1105358296 VRUNCUSEMXWXIQ-UHFFFAOYSA-N 319.369 -0.680 30 20 DBED CC#CCNCc1cn(C2CN(C(=O)[C@@H]3CCN(C)C3)C2)nn1 1105372713 UCHBLXVKURWGRK-CYBMUJFWSA-N 316.409 -0.274 30 20 DBED Cc1c(C(=O)NC[C@@H](O)CNc2nccnc2C#N)cnn1C 1105751378 GVDQMXCVDUUOJA-JTQLQIEISA-N 315.337 -0.407 30 20 DBED Cc1nccc(C(=O)NC[C@@H](O)CNc2nccnc2C#N)n1 1105861236 BPUCCZBNLWAAAM-JTQLQIEISA-N 313.321 -0.351 30 20 DBED COCC(C)(C)C(=O)NC[C@H](O)CNc1cnc(C#N)cn1 1106022956 KLDXWZZXQHOMJT-LLVKDONJSA-N 307.354 -0.090 30 20 DBED CN1C[C@@H](C(=O)NC[C@H](O)CNc2ccc(C#N)nc2)CC1=O 1106144135 OMHCQYFCNCEUKO-GXFFZTMASA-N 317.349 -0.679 30 20 DBED C[C@H](CCN=c1cc[nH]cc1C#N)NC(=O)CCNC(N)=O 1106327947 BFEREXLQJPVAPI-SNVBAGLBSA-N 304.354 -0.260 30 20 DBED C[C@@H](CCNc1cnc(C#N)cn1)NC(=O)C1(C(N)=O)CC1 1106550600 ZHBLPEIEOOWTPH-VIFPVBQESA-N 302.338 -0.080 30 20 DBED N#Cc1nccnc1NC/C=C\CNC(=O)[C@@H]1COCCO1 1107050183 DQYFOAHTEREIEI-BIOMNHJASA-N 303.322 -0.152 30 20 DBED C[C@H](CNc1ccc(C#N)nn1)NC(=O)c1cnn(C)c1N 1107689980 DYORAOSNTVEDTI-MRVPVSSYSA-N 300.326 -0.106 30 20 DBED C#CCNC(=O)CN1CCO[C@](C)(CNC(=O)c2ccc[nH]2)C1 1107733558 RAWZDCKWPGLIOX-MRXNPFEDSA-N 318.377 -0.415 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)COCc2nccn2C)C1 1108015035 MPABQLQQBMMHRE-MRXNPFEDSA-N 320.393 -0.223 30 20 DBED C[C@H](CNc1cncc(C#N)n1)NC(=O)[C@]1(C)CCC(=O)N1 1108091700 WPARLJCCKXWVKN-OTYXRUKQSA-N 302.338 -0.066 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)CCn1cncn1 1108271872 JMCUNAXIIRHRLB-JTQLQIEISA-N 300.326 -0.631 30 20 DBED C=CCOCCN1CCO[C@](C)(CNC(=O)Cc2nc[nH]n2)C1 1108335107 WRTRIDFFDIYFLJ-OAHLLOKOSA-N 323.397 -0.243 30 20 DBED COc1ncc(C(=O)N[C@@H](C)CN=c2cc[nH]c(C#N)n2)cn1 1108511996 KTCCKXADRLXEFU-VIFPVBQESA-N 313.321 -0.201 30 20 DBED CC[C@H](C(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1)N(C)C 1108553412 MCIUFVWCVCKRHB-WCQYABFASA-N 307.398 -0.749 30 20 DBED C[C@H](CN(C)c1ccnc(C#N)n1)NC(=O)[C@H]1CCNC(=O)C1 1108894922 NQAYYJLEGIOZRB-MNOVXSKESA-N 316.365 -0.185 30 20 DBED N#Cc1cccnc1N1C[C@H]2C[C@H]1[C@@H]2NC(=O)C1(C(N)=O)CC1 1109740859 YJMYQMGRGLLNSV-GRYCIOLGSA-N 311.345 -0.088 30 20 DBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C[C@H]1CCOC1 1110409327 UMQJICFGGMBZSD-SYQHCUMBSA-N 320.393 -0.226 30 20 DBED CC1(CNC(=O)C(N)=O)CCN(c2ccc(C#N)nn2)CC1 1110892827 OFSXYXJJKKXUEM-UHFFFAOYSA-N 302.338 -0.444 30 20 DBED C=CCOCC(=O)NC[C@@]1(O)CCN(c2cnc(F)cn2)C1 1111039661 MNFRCWLQSSWHOO-AWEZNQCLSA-N 310.329 -0.124 30 20 DBED CN(C)CCC(=O)NC[C@@]1(O)CCN(c2cnc(C#N)cn2)C1 1111124487 LYNTZFOMYQZUGV-HNNXBMFYSA-N 318.381 -0.643 30 20 DBED CC(=O)NCC(=O)N1CC[C@@H]([C@@H](C)N=c2cc[nH]c(C#N)n2)C1 1111202712 BQWQYNJMYNCAFC-ZYHUDNBSSA-N 316.365 -0.445 30 20 DBED COC[C@H](C)C(=O)N(CCO)CCNc1ccc(C#N)nn1 1111438336 STIRLKABHNWFTF-NSHDSACASA-N 307.354 -0.136 30 20 DBED N#Cc1nc(=NCCN(CCO)C(=O)/C=C\C2CC2)cc[nH]1 1111448086 TVDGMGOQWMPXMQ-ARJAWSKDSA-N 301.350 -0.031 30 20 DBED CN(CCCN(C)c1ccnc(C#N)n1)C(=O)[C@@H]1CCC(=O)N1 1112105536 RHAWGYSSRXQMGK-NSHDSACASA-N 316.365 -0.088 30 20 DBED C[C@@H]1CN(c2ncccc2C#N)CC[C@H]1NC(=O)CNC(N)=O 1112393309 QUODZLSCAZUDLA-ZYHUDNBSSA-N 316.365 -0.047 30 20 DBED COCCOC[C@@H](O)CN1CCN(C(=O)C#CC2CC2)CC1 1112824971 NMKQHUWLGSUBJZ-HNNXBMFYSA-N 310.394 -0.432 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 1112964918 CIECCJBAWAKLQO-HIFRSBDPSA-N 320.437 -0.391 30 20 DBED C=CCCN1CCN(C(=O)CN(C)S(=O)(=O)CC)CC1 1113483129 UFNYHFHDBPFGGY-UHFFFAOYSA-N 303.428 -0.012 30 20 DBED C=CCNC(=O)NC(=O)CN1C[C@@H]2C(NC(=O)CC3CC3)[C@H]2C1 1113770119 PHMNFOGXLJONTQ-RYUDHWBXSA-N 320.393 -0.155 30 20 DBED C[C@@H]1CCN(c2ccc(C#N)nn2)C[C@@H]1NC(=O)CNC(N)=O 1113998460 YJLQEQXWIXEKJN-KOLCDFICSA-N 317.353 -0.652 30 20 DBED N#Cc1nccnc1N1C[C@H]2[C@H](CNC(=O)Cn3cncn3)[C@H]2C1 1114552077 KURCJKLDTJSXDF-CNDDSTCGSA-N 324.348 -0.562 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)c3ccn(C)n3)[C@@H]2C1 1115244076 ZYECEZGWAOUVKC-QJPTWQEYSA-N 317.393 -0.229 30 20 DBED CC(C)(C)N1CC[C@@H](NC(=O)C(=O)N2CC[C@](F)(C#N)C2)C1=O 1118228779 VTHIDIFBCTWGGS-BMIGLBTASA-N 324.356 -0.034 30 20 DBED C=CCN(C(=O)C(=O)N1CC[C@@](O)(CC#N)C1)[C@H](C)COC 1118468366 QREIHEVYFLRUNM-DOMZBBRYSA-N 309.366 -0.087 30 20 DBED CCc1cc(C(=O)NC[C@H](CO)Nc2ccc(C#N)nn2)n[nH]1 1121135240 BJZIAZHRPFMRCW-LLVKDONJSA-N 315.337 -0.163 30 20 DBED CCC(=O)NCC(=O)NC[C@@H](CO)Nc1ccc(C#N)cn1 1121242171 PUNAYCVLWXOUBH-NSHDSACASA-N 305.338 -0.632 30 20 DBED Cc1cc(C(=O)NC[C@H](CO)N=c2cc[nH]cc2C#N)ncn1 1121310695 LDJVHBFPQWZGSF-GFCCVEGCSA-N 312.333 -0.324 30 20 DBED N#Cc1cncc(N[C@H](CO)CNC(=O)CC2OCCCO2)n1 1121359110 CYKYQKVTICRPQZ-NSHDSACASA-N 321.337 -0.610 30 20 DBED COCC(C)(C)C(=O)NC[C@H](CO)Nc1nccnc1C#N 1122230237 UZYZXQSLYBDXMC-SNVBAGLBSA-N 307.354 -0.090 30 20 DBED Cc1ccc(C#N)c(N[C@H](CO)CNC(=O)c2cnn[nH]2)n1 1122880709 YALAEMSEYSGPHR-JTQLQIEISA-N 301.310 -0.417 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]cc1C#N)C(=O)c1cn[nH]c1 1124179921 LSDNJFZXOOYBAS-GFCCVEGCSA-N 300.322 -0.357 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]cc1C#N)C(=O)c1ncn(C)n1 1124295962 QPZFXLNJYPHZDK-NSHDSACASA-N 315.337 -0.951 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)[C@@H]1CCCCO1 1124310248 PTBQLGYEAAHCHC-NEPJUHHUSA-N 319.365 -0.430 30 20 DBED CN(C[C@@H](O)CNc1cnc(C#N)cn1)C(=O)CCCC(N)=O 1124393669 KKSXIHWMJAOWKO-NSHDSACASA-N 320.353 -0.765 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)c1ccncn1 1124466427 QJMFDPXUNTYTLC-SNVBAGLBSA-N 313.321 -0.895 30 20 DBED CN(C)C(=O)CC(=O)N(C)C[C@@H](O)CNc1ccc(C#N)cn1 1124798662 SJWSMQUYANNTSO-LBPRGKRZSA-N 319.365 -0.337 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CCCN1C(C)C 1127082790 YVEUIZRPHOZQBC-ZIAGYGMSSA-N 308.426 -0.297 30 20 DBED C[C@H](OCC1CC1)C(=O)N1C[C@H](n2ccnn2)[C@H](NCC#N)C1 1129696366 SMFKEORJOWFQFI-YUTCNCBUSA-N 318.381 -0.042 30 20 DBED C=CCOCCNCCNC(=O)C1CC2(C1)CS(=O)(=O)C2 1130233938 JXNDQTHUXBFVDT-UHFFFAOYSA-N 316.423 -0.280 30 20 DBED C=CCOCC(=O)N1C[C@H]2C[C@@H]3CN(CCCO)C[C@]2(C1)O3 1131197991 VXYZWEJAWAVPOV-IIAWOOMASA-N 310.394 -0.127 30 20 DBED C=CCOCC(=O)N1CCC(=O)NCCN(CCF)CC1 1131339473 FBCRJCSDEOUBQY-UHFFFAOYSA-N 301.362 -0.191 30 20 DBED C=C(C)CN1CC[C@@]2(C1)CN(C(=O)CNC(N)=O)C[C@H](C)O2 1131628146 DWUZEHZBZUDIDR-SWLSCSKDSA-N 310.398 -0.077 30 20 DBED CNC(=O)NCC(=O)N[C@@H]1CC[C@@H](C)N(CC#CCOC)C1 1132090168 DRWLBPAWXZZFTC-CHWSQXEVSA-N 310.398 -0.466 30 20 DBED C#CCCN1C[C@@H](NC(=O)CS(=O)(=O)NC)CC[C@H]1C 1132494342 RKLWKAZWIARRBL-NEPJUHHUSA-N 301.412 -0.472 30 20 DBED C=CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)c1ncn(C)n1 1134303200 PIVVIEKETNDMBS-MNOVXSKESA-N 308.386 -0.396 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)C(C)(C)C(N)=O 1134658698 WQIJCUHLMNOMQZ-WDEREUQCSA-N 310.398 -0.880 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)c1cncnc1O 1134726973 WQXXFWHJSZRLRP-MNOVXSKESA-N 319.365 -0.582 30 20 DBED C=CCn1cc(C(=O)NCCN[C@@H]2CCN(CC)C2=O)nn1 1134973327 NALJACFHVBVZAF-LLVKDONJSA-N 306.370 -0.596 30 20 DBED C#CCNCCNC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1 1135115164 VJXWIZNJPSTZRX-DZGCQCFKSA-N 300.362 -0.060 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)c1cccnn1)NCC(=O)NCC#N 1135737836 BGKPJFGFILRSDV-WDEREUQCSA-N 304.354 -0.397 30 20 DBED CCS(=O)(=O)N(C)CC(=O)N[C@H](C)C[C@@H](C)NCC#N 1135820434 AWFYPGRXYKPSJB-GHMZBOCLSA-N 304.416 -0.336 30 20 DBED C[C@H](Oc1ccccn1)C(=O)NCCNCC(=O)NCC#N 1148109244 ZVIRZWHYIDWRBQ-NSHDSACASA-N 305.338 -0.806 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)[C@@H](C)CCOC)C2 1148791102 IROGAYLUFXTFDH-AWEZNQCLSA-N 321.421 -0.057 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)c2cnn(C)c2OC)C1=O 1149202293 NOLVTNGRPIABAH-LBPRGKRZSA-N 321.381 -0.465 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@H](C)N1CCCCC1=O 1152169790 MVVRVINNONKVMK-OLZOCXBDSA-N 322.409 -0.769 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)c1n[nH]c(C)c1O 1152782597 SXFZKWPYPAWAGT-SNVBAGLBSA-N 321.381 -0.387 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@H](C)c1c(C)nn(C)c1C 1153660538 WMSYIGIEAJMXHL-LLVKDONJSA-N 319.409 -0.404 30 20 DBED C#CCN1CC=C(CCNC(=O)CCNC(=O)COC)CC1 1160286469 RHTXEFSQJDPHCM-UHFFFAOYSA-N 307.394 -0.089 30 20 DBED CC#CCNCC1(CCNC(=O)c2cnc(O)n(C)c2=O)CC1 1166526018 YVNVGURHJDRHHP-UHFFFAOYSA-N 318.377 -0.001 30 20 DBED COCC#CCNCCCNC(=O)c1cccn2c(O)nnc12 1171054479 UINRRFOHVMFXMF-UHFFFAOYSA-N 317.349 -0.206 30 20 DBED C#CCNC(=O)CNCCCNC(=O)CCCC(=O)N(C)C 1171451826 VRBPKZZAYFASRE-UHFFFAOYSA-N 310.398 -0.910 30 20 DBED C[C@H](CCCCNCC#N)NC(=O)[C@H]1CCS(=O)(=O)N1 1176639245 QWAGJUMPJZCJID-GHMZBOCLSA-N 302.400 -0.534 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@H](C(C)C)N1CCCC1 1176997599 SXLPBHMOJSIJRB-INIZCTEOSA-N 322.453 -0.048 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)COCCN(C)C)C[C@@H]21 1177139658 SVGFXZZGCMBMMD-LSDHHAIUSA-N 309.410 -0.501 30 20 DBED Cc1ccn(CC(=O)N2CC[C@H](NCC(=O)NCC#N)[C@@H]2C)n1 1179553979 JGAOBQALBQQIOG-STQMWFEESA-N 318.381 -0.590 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](NCC(=O)Nc2ccon2)C1 1182521778 BLRQBJYFBLXMIG-GFCCVEGCSA-N 320.349 -0.157 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)[C@]2(C)CCNC(=O)C2)C1 1183593403 XLWJRBXGGRDVJS-CZUORRHYSA-N 307.394 -0.257 30 20 DBED COCCC(=O)N1CC[C@@H](CNCC(=O)NCC#N)[C@H](C)C1 1183678209 LZUIHSJSRSGTMA-OLZOCXBDSA-N 310.398 -0.263 30 20 DBED C=CCOCC(=O)N1CC[C@@H](CNCC(=O)NCC#N)[C@@H](C)C1 1184089166 OCQVIGJGEUVMKZ-KBPBESRZSA-N 322.409 -0.097 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)C(C)(C)NC(C)=O)C1 1186404662 ORKOCAXWFSEYEF-DGCLKSJQSA-N 322.409 -0.771 30 20 DBED CN(CC(=O)NCC#N)[C@H]1CCN(C(=O)C[C@@H]2CCCO2)C1 1189066519 GJTXQQLMMYDLGG-STQMWFEESA-N 308.382 -0.272 30 20 DBED C[C@@H](C(=O)N1CC[C@@H](N(C)CC(=O)NCC#N)C1)n1cncn1 1189705002 FUTTZJXXPWRHJU-NWDGAFQWSA-N 319.369 -0.988 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2ccnn2CC)C1 1189810223 USTJSARXWLWKQQ-CYBMUJFWSA-N 317.393 -0.201 30 20 DBED CCn1nncc1C(=O)N1CC[C@H](N(C)CC(=O)NCC#N)C1 1189983915 OZFKVZHRSHPHMD-NSHDSACASA-N 319.369 -0.916 30 20 DBED C=CCCO[C@@H](C)C(=O)N[C@@H]1CN(CC(=O)NCC)C[C@H]1O 1191615487 XVUPKHRIJLSSMD-YNEHKIRRSA-N 313.398 -0.735 30 20 DBED CC[C@H](C)NC(=O)CN1C[C@@H](O)[C@H](NC(=O)C#CC(C)C)C1 1192751716 HXMQWSFLCWUCKU-BFHYXJOUSA-N 309.410 -0.278 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2cncc(F)c2)C[C@H]1O 1192891070 GYESYHHYGNKRAP-KCPJHIHWSA-N 321.352 -0.080 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCCN(C(=O)[C@@H]2COCCO2)CC1 1194889066 FJHZGHCXDRTYSZ-KGLIPLIRSA-N 323.393 -0.926 30 20 DBED CCO[C@@H](C(=O)N1CCCN(CC(=O)NCC#N)CC1)C1CC1 1195873878 OJFDHDVVABXQHV-OAHLLOKOSA-N 322.409 -0.024 30 20 DBED C=CCOCCN1CCCN(C(=O)CN2C(=O)CNC2=O)CC1 1198053872 KJVKSZJFQMGBTG-UHFFFAOYSA-N 324.381 -0.725 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN([C@H](C)c2nnnn2C)C[C@H]1O 1199292699 QRYLCWIWFBILSK-IJLUTSLNSA-N 324.385 -0.975 30 20 DBED C=CCOCC(=O)N1CCC(NCCN2C(=O)CNC2=O)CC1 1199798049 XAZQTUWFCACMNR-UHFFFAOYSA-N 324.381 -0.679 30 20 DBED N#CCNC(=O)CNC1CCN(C(=O)CCc2ccon2)CC1 1201602442 DDICFMPNPGFMFD-UHFFFAOYSA-N 319.365 -0.172 30 20 DBED C#CCNC[C@H]1CN(C(=O)[C@H]2CCCN2C(C)=O)CCCO1 1202174087 PXYYBCQLDYPCMJ-LSDHHAIUSA-N 307.394 -0.162 30 20 DBED Cn1nnc(CNCC2CCN(C(=O)CSCC#N)CC2)n1 1204559446 AAFBVMQIYKJPTF-UHFFFAOYSA-N 323.426 -0.205 30 20 DBED COCC#CCNCC1CCN(C(=O)c2nnn(C)n2)CC1 1205938503 LQRRETWJULWCCP-UHFFFAOYSA-N 306.370 -0.698 30 20 DBED COCC#CCNCC1CCN(C(=O)Cc2nc[nH]n2)CC1 1206851402 WOIYZVNXYXMJFK-UHFFFAOYSA-N 305.382 -0.175 30 20 DBED COCC#CCN1C[C@@H](NC(=O)c2ccc(C(N)=O)[nH]2)[C@H](C)C1 1208637760 QOJGRQXTTOPUIM-BXUZGUMPSA-N 318.377 -0.187 30 20 DBED C#CCN[C@@H]1CCCN(C(=O)CCCN2C(=O)CNC2=O)C1 1211015894 XAXMWDZXXHWNQC-GFCCVEGCSA-N 306.366 -0.468 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)CN2CCCC2)C1 1211082729 UMYVQXLKPVGWPJ-CQSZACIVSA-N 308.426 -0.035 30 20 DBED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)CCC1CC1 1212057938 PMSFXZRGIWRZKS-CHWSQXEVSA-N 308.382 -0.368 30 20 DBED CCOCCNC(=O)CN[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1C 1214337889 FCOJOQDPLOJVIH-YNEHKIRRSA-N 310.398 -0.265 30 20 DBED C#CCCN[C@@H]1CN(C(=O)[C@@H]2CN(C(C)=O)CCO2)C[C@H]1C 1216627234 UAKPODPWFAITIW-YUELXQCFSA-N 307.394 -0.307 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1ccc[nH]1 1217270313 KYNKTXDUVRGDTC-UONOGXRCSA-N 318.377 -0.158 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)c2cnc3n2CCC3)C1 1219821489 NIFHKEUOWNPNIA-OCCSQVGLSA-N 320.393 -0.193 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)CCCn2ccccc2=O)C1 1220131949 BQQFKQXITKVRGD-CABCVRRESA-N 317.389 -0.187 30 20 DBED C=CCNC(=O)CN1CCC(CNC(=O)C(C)(C)C(N)=O)CC1 1223515888 FMQHZUWDJIOJAA-UHFFFAOYSA-N 324.425 -0.372 30 20 DBED C#CCN1CCS(=O)(=O)[C@@H](CCNC(=O)c2cccn2C)C1 1230419427 IMORMQXLLGELHJ-ZDUSSCGKSA-N 323.418 -0.123 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)c1cnn(CC)n1 1234058112 GBHSJYZUNBPVKV-LBPRGKRZSA-N 318.381 -0.806 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C[C@@H]1CCN1Cc1nc(=O)n(C)[nH]1 1234215719 OXYDXOODZVQXOV-RYUDHWBXSA-N 321.381 -0.821 30 20 DBED C=CCNC(=O)CNC(=O)c1cccc(CS(N)(=O)=O)c1 1319871614 PINLJEHHFCHPHO-UHFFFAOYSA-N 311.363 -0.493 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N[C@@H]2CC[C@H](OC)C2)nn1 1325941284 ZZDYSQJQODSPPL-PWSUYJOCSA-N 307.354 -0.236 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)NCCc2cscn2)C1 1326848588 GHXOEMNIQUPCKZ-ZDUSSCGKSA-N 308.363 -0.321 30 20 DBED C#C[C@H](NC(=O)C(=O)N1C[C@H](C)[C@](C)(CO)C1)[C@H]1CCCO1 1329030052 MIWXIHUTFCEBJP-JFILPPLUSA-N 308.378 -0.240 30 20 DBED C#CCOCCNC(=O)C(=O)NCC(C)(C)CN1CCCC1 1329304951 YZTKQMMKDUNVON-UHFFFAOYSA-N 309.410 -0.009 30 20 DBED CN(C)C1(CNC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)CCC1 1332224656 ROFKLOXIPZJSFD-HNNXBMFYSA-N 308.382 -0.536 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCOC3(CCC3)C2)CCO1 1347083745 CIIPYDPRDSXFQO-VXGBXAGGSA-N 307.350 -0.045 30 20 DBED CNC[C@H]1CCN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1 1348714362 LUTHJGDTUWPWPU-TZMCWYRMSA-N 319.409 -0.747 30 20 DBED CC[C@H](NC(C)=O)C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N 1361318041 KBRUYZXMPCUSDT-NSHDSACASA-N 320.353 -0.029 30 20 DBED N#Cc1ccc(F)c(C(=O)N2C[C@H](C(N)=O)[C@@H](C(N)=O)C2)c1 1362707053 NTRZJNKVOIWELR-UWVGGRQHSA-N 304.281 -0.644 30 20 DBED CN(Cc1cc(O)n2ncc(C#N)c2n1)CC(C)(CO)CO 1364353763 NMQGLDGDPAIJQX-UHFFFAOYSA-N 305.338 -0.271 30 20 DBED CC[C@@H](NS(=O)(=O)N(CCC#N)CCOC)C(=O)NC 1364867180 NITJYZNJRAOMFY-SNVBAGLBSA-N 306.388 -0.793 30 20 DBED COC(=O)Cn1ccc(NC(=O)N2CC[C@@](O)(CC#N)C2)n1 1365030229 DGLFWXGJGFVWSW-ZDUSSCGKSA-N 307.310 -0.062 30 20 DBED CN(CCNC(=O)CO[C@H]1CCOC1)c1cncc(C#N)n1 1366812196 NLMBOUFAAYLFDY-LBPRGKRZSA-N 305.338 -0.294 30 20 DBED C=C(Cl)CNC[C@H]1CN(C(=O)CS(=O)(=O)CC)CCO1 1376861037 JZLXKEBOZQNIEF-NSHDSACASA-N 324.830 -0.009 30 20 DBED C=C(Cl)CN(C)CCNC(=O)c1cn(CC(N)=O)nn1 1377274524 NVEVNQHXFXWAEV-UHFFFAOYSA-N 300.750 -0.823 30 20 DBED COc1cc(C(=O)N2CC[C@@H](NC(=O)[C@@H](C)C#N)C2)nn1C 1385612264 LMWMSQMKLZXOCS-VHSXEESVSA-N 305.338 -0.081 30 20 DBED C[C@H](C#N)C(=O)N[C@@H](CNC(=O)CCn1ccnn1)C1CC1 1385864236 GWYGLURMNWOYMZ-PWSUYJOCSA-N 304.354 -0.161 30 20 DBED COCCn1ccc(C(=O)NC[C@@H](C)NC(=O)[C@@H](C)C#N)n1 1397516936 OSOIXBGNHKHFNN-WDEREUQCSA-N 307.354 -0.076 30 20 DBED Cc1nc(CC(=O)N2CC[C@@H](CNC(=O)[C@H](C)C#N)C2)n[nH]1 1397652523 IDSUPNXTMATLGI-KOLCDFICSA-N 304.354 -0.220 30 20 DBED C[C@H](C#N)C(=O)NCCN(C)CC(=O)NC(=O)NC(C)(C)C 1399436363 JILVYQIXPYSRIA-SNVBAGLBSA-N 311.386 -0.182 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@@H](CNC(=O)c2c[nH]c(=O)cn2)C1 1406611689 SQKUBCCQHYFGHL-LPEHRKFASA-N 303.322 -0.446 30 20 DBED C[C@@H](C#N)C(=O)N1CC(CNC(=O)Cn2ccccc2=O)C1 1409140300 RLZNIXUUSNFWTB-NSHDSACASA-N 302.334 -0.417 30 20 DBED C[C@H](C#N)C(=O)NC[C@]1(C)CCN(C(=O)CCNC(N)=O)C1 1417366639 MXSWZIPPSSIIQA-YGRLFVJLSA-N 309.370 -0.441 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(N(CCO)Cc2cn(C)nn2)CC1 1418839722 VRRIGKOULVOAPO-LBPRGKRZSA-N 320.397 -0.240 30 20 DBED CCN(CCC#N)C(=O)CN1CCC[C@H](NC(=O)COC)C1 1419090750 RKLCTMGPSIWMOX-ZDUSSCGKSA-N 310.398 -0.024 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@@H](C)CNC(=O)c1ccc(C(N)=O)nc1 1424181504 AMPYEDVKBCRNAG-UWVGGRQHSA-N 317.349 -0.083 30 20 DBED C[C@H](C#N)C(=O)NC1CCC(NC(=O)CCn2cnnn2)CC1 1428480232 LWXMXFMUYRBEAQ-VOMCLLRMSA-N 319.369 -0.234 30 20 DBED C=C(Cl)CN(C)CCNC(=O)Cn1cnc(C(N)=O)n1 1437463135 POKPIMOKSFKGEA-UHFFFAOYSA-N 300.750 -0.823 30 20 DBED C[C@@H](CN(C)C(=O)c1ccc(C(N)=O)[nH]1)NC(=O)[C@@H](C)C#N 1451254515 KPEOYOYFUXLXPW-IUCAKERBSA-N 305.338 -0.150 30 20 DBED C[C@H](CNC(=O)CCn1cncn1)NC(=O)c1ccc(C#N)[nH]1 1454562962 UTQCLCXIPNGYOS-SNVBAGLBSA-N 315.337 -0.197 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@@H](CNC(=O)[C@H]2CCC(=O)N2C)C1 1514918523 UGVCTHSCNHHKDC-WISYIIOYSA-N 306.366 -0.222 30 20 DBED N#Cc1cc(F)ccc1N1CCN(C(=O)CNCCN)CC1 1522342839 MDGHGLVPRJLLEX-UHFFFAOYSA-N 305.357 -0.106 30 20 DBED C[C@H](C#N)C(=O)NC1CCN(C(=O)CN2CCCNC2=O)CC1 1523232842 SJNWMFFVAIRPJC-LLVKDONJSA-N 321.381 -0.331 30 20 DBED C=CCC1(C(=O)NC[C@@H](CO)NC(=O)CNC(=O)O)CCC1 1573352612 HCVHFDIRADRAPR-JTQLQIEISA-N 313.354 -0.406 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@](CO)(NCCc2cnn[nH]2)C1 1575175941 CILAQNNBCZIBDR-FZMZJTMJSA-N 306.370 -0.550 30 20 DBED C[C@]1(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[nH]2)CCC(=O)NC1 1575614751 OTVXEKSFIZKSFW-LBPRGKRZSA-N 315.297 -0.684 30 20 DBED COCC#CCN[C@@H](C)CCNC(=O)[C@H](C)OCc1cnn[nH]1 1576952384 HXJYYHOOCFMLSG-STQMWFEESA-N 323.397 -0.156 30 20 DBED N#CCN1CC[C@H](NC(=O)CCCCCc2cnn[nH]2)[C@@H](O)C1 1577706258 ADRCWNOTNOQEJT-KBPBESRZSA-N 320.397 -0.017 30 20 DBED N#Cc1ncc(N(CCO)C2CCOCC2)nc1-c1nn[nH]n1 1581881218 PYTQNBDOUZXONA-UHFFFAOYSA-N 316.325 -0.494 30 20 DBED N#Cc1ncn(CCNC(=O)c2csc(-c3nn[nH]n3)c2)n1 1581885811 NOJNKZBXFARGFY-UHFFFAOYSA-N 315.322 -0.179 30 20 DBED C#CCCS(=O)(=O)NC(=O)c1ccnc(-c2nn[nH]n2)c1 1588347711 UWPMKDJXKXQTCR-UHFFFAOYSA-N 306.307 -0.655 30 20 DBED C#CCN(CC#CC)S(=O)(=O)c1cncc(-c2nn[nH]n2)c1 1588350188 HNIOWRZZJARIAW-UHFFFAOYSA-N 316.346 -0.091 30 20 DBED C#CCN(CC(=O)O)c1nnc(CCO)n1C[C@H]1CCCCO1 1588427047 KTMRDLFEHOXVIK-GFCCVEGCSA-N 322.365 -0.094 30 20 DBED CSC[C@](C)(C#N)NC(=O)[C@@H](C)n1cnc(-c2nn[nH]n2)n1 1591691544 CVWAWTWLDVQTMN-HQJQHLMTSA-N 321.370 -0.219 30 20 DBED CN(CCCN(C)C(=O)[C@H]1C[C@H]1C(=O)O)CC(=O)NCC#N 1598477617 SOTCGFKCTAGTEY-WDEREUQCSA-N 310.354 -0.873 30 20 DBED N#Cc1ncn(CCNS(=O)(=O)CC2(C(=O)O)CCC2)n1 1601136388 PGAXCRTXZDYLKA-UHFFFAOYSA-N 313.339 -0.676 30 20 DBED C#CCN(CC(=O)O)[C@@H]1CCN(CC(=O)OC(C)(C)C)C1=O 1602695942 YKJUIMTVSIURDX-LLVKDONJSA-N 310.350 -0.051 30 20 DBED C[C@]1(C(=O)O)CCN(C(=O)C(=O)NC2CCN(CC#N)CC2)C1 1603297014 GBUNPZDTQIEXAS-HNNXBMFYSA-N 322.365 -0.586 30 20 DBED N#CCC1(O)CN(S(=O)(=O)c2ccc(CC(=O)O)cc2)C1 1608181812 OVHKLHRUAVDQIK-UHFFFAOYSA-N 310.331 -0.037 30 20 DBED N#Cc1ccc(S(=O)(=O)NCC(=O)NC2CC2)c(C(=O)O)c1 1608210105 BVFWSXRSYNTROV-UHFFFAOYSA-N 323.330 -0.187 30 20 DBED N#Cc1ncn(CC(=O)NCc2ccc3c(c2)C(=O)NCC3)n1 1645672589 DUZDMNHABKJBFY-UHFFFAOYSA-N 310.317 -0.248 30 20 DBED C=CCN1CCN(CCCNC(=O)CN2C(=O)CCC2=O)CC1 1752357087 MYBGWCYLYIYKFW-UHFFFAOYSA-N 322.409 -0.555 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCCN(C(=O)c2[nH]nnc2C)C1 1752995042 NNAKJVOUEHZAOI-GFCCVEGCSA-N 318.381 -0.601 30 20 DBED C=CCN1CCN(CCN(C)C(=O)[C@@H]2CN(CC)CCO2)CC1 1753344356 BSJDOJPXMNEIPZ-INIZCTEOSA-N 324.469 -0.031 30 20 DBED C=CCNC(=O)CN1CC(NC(=O)[C@H]2CCCCN(C)C2=O)C1 1753391878 FTPMBJBVHRIVIF-CYBMUJFWSA-N 322.409 -0.653 30 20 DBED Cc1ncc(C(=O)N(C)[C@H]2CCN(CC(=O)NCC#N)C2)n1C 1753441869 QNNSFKXJUVMJRR-LBPRGKRZSA-N 318.381 -0.485 30 20 DBED C=CCNC(=O)CN[C@@H](CC)CNC(=O)c1[nH]c(O)nc1C 1753478262 JQNDCZYADGPSGF-JTQLQIEISA-N 309.370 -0.176 30 20 DBED CCCNC(=O)NC(=O)CNC[C@@H](C)CNC(=O)C#CC1CC1 1753612270 BWUFQTPJWVKGTD-GFCCVEGCSA-N 322.409 -0.023 30 20 DBED C#CCNC(=O)CN[C@H](CNC(=O)c1cn(C)c(O)n1)C(C)C 1753838675 SWDMPCLCYBXBHE-LLVKDONJSA-N 321.381 -0.781 30 20 DBED C=CCCNC[C@@H](O)CNC(=O)c1cnc2c(c1)nnn2C 1753920801 GEMPCIGIEGDIFW-LLVKDONJSA-N 304.354 -0.380 30 20 DBED C=CC(C)(C)C(=O)NC[C@@H](O)CNCc1nc(N(C)C)no1 1753923103 CLUFYOXXPHNGEW-JTQLQIEISA-N 311.386 -0.086 30 20 DBED C#CCNC(=O)[C@H](C)NC1(CNC(=O)[C@H](C)OCC#C)CC1 1754515174 MNFYSBCZRFFFAG-STQMWFEESA-N 305.378 -0.599 30 20 DBED C=CCNC(=O)CN1CC[C@@](C)(NC(=O)c2ccn(C)n2)C1 1754681754 FWVCRVLUVQUKMK-OAHLLOKOSA-N 305.382 -0.084 30 20 DBED CCn1ncnc1CN1CC[C@](O)(CNC(=O)C#CC2CC2)C1 1754748429 IPKLKLJEAZQCHX-INIZCTEOSA-N 317.393 -0.236 30 20 DBED CC#CCNC[C@H]1CN(C(=O)CN2C(=O)CCC2=O)C[C@H]1C 1754826934 JLBOGBQOWDTNDJ-OLZOCXBDSA-N 305.378 -0.157 30 20 DBED C#CCNC(=O)CN[C@H]1CN(C(=O)CCCC(C)=O)C[C@@H]1C 1755102918 DAFKWTRWIIWTJJ-JSGCOSHPSA-N 307.394 -0.068 30 20 DBED C=CCOCCNCC1(O)CCN(C(=O)c2cnn[nH]2)CC1 1755150045 CUSIAOFKBORGNC-UHFFFAOYSA-N 309.370 -0.436 30 20 DBED C[C@H]1C[C@H](NC(=O)C2=COCCO2)CCN1CC(=O)NCC#N 1755157366 HNEQQUPTAHPEPO-NWDGAFQWSA-N 322.365 -0.517 30 20 DBED C#CCCCCC(=O)NC1(CCO)CN([C@@H]2CCN(C)C2=O)C1 1755331507 DKEVORIVVGZWBI-CQSZACIVSA-N 321.421 -0.036 30 20 DBED C[C@@H]1C[C@@H](NCC(=O)NCC#N)CN1C(=O)c1ccc(O)nc1 1755689606 QLNLNJUUPKWANP-ZYHUDNBSSA-N 317.349 -0.380 30 20 DBED Cc1ccnc2nc(C(=O)N(C)CCOCCNCC#N)nn12 1755878534 OXQKYGOGOHJJKL-UHFFFAOYSA-N 317.353 -0.366 30 20 DBED C=CCOCC(=O)N1C[C@H]2C(CNC(=O)CCNC(N)=O)[C@@H]2C1 1756202230 VYIWGQHTHWCKRT-RYUDHWBXSA-N 324.381 -0.932 30 20 DBED C#CCOCCC(=O)N[C@@H](C)CN(C)C(=O)[C@H]1COC(=O)N1 1756448553 VLOYRTVQSBRDIP-WDEREUQCSA-N 311.338 -0.902 30 20 DBED C#CCOCCC(=O)N[C@H](CO)CNC(=O)c1cccnc1 1756500975 IIKRRADQEJVWGA-ZDUSSCGKSA-N 305.334 -0.672 30 20 DBED C[C@H]1C[C@@H](NC(=O)C#CC2CC2)CN1C(=O)c1cnnn1C 1756588565 SSGVBDVZTILDCH-CMPLNLGQSA-N 301.350 -0.052 30 20 DBED C=CCCCC(=O)N(C)C[C@H](O)CNC(=O)c1cn(C)nn1 1756675852 CKQXSDFPRORHLH-LLVKDONJSA-N 309.370 -0.280 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C[C@H]1CCCCN1C(=O)C(N)=O 1756867619 OLNOESUFEHRSOC-NWDGAFQWSA-N 309.366 -0.651 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)[C@@H]1C 1757503224 IWHBDUGDMFRYSO-WOPDTQHZSA-N 309.366 -0.427 30 20 DBED COC(=O)Cn1cc(C(=O)/C=C\c2c(C(=O)O)cnn2C)nn1 1777109667 KGSCLSPJXLADRO-ARJAWSKDSA-N 319.277 -0.221 30 20 DBED CC(=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)S 1800984157 KNSQSNBIAOILGP-CHWFTXMASA-N 300.380 -0.517 30 20 DBED C=CCNS(=O)(=O)c1cccc(C(=O)N(C)CC(N)=O)c1 46979217 FBPZLEHHJKPUNG-UHFFFAOYSA-N 311.363 -0.292 30 20 DBED N#CC1CCN(CC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)CC1 57880482 WWTQLSUEDIQYIA-UHFFFAOYSA-N 317.349 -0.128 30 20 DBED Cn1c(NCCCOC2CCOCC2)c(C#N)c(=O)n(C)c1=O 78339038 VQQUBXCRDSWCAD-UHFFFAOYSA-N 322.365 -0.047 30 20 DBED COCCN(CCC#N)S(=O)(=O)N(C)CCC(=O)OC 88772552 TZQHDLGBGFBIMO-UHFFFAOYSA-N 307.372 -0.412 30 20 DBED C[C@@H](NS(=O)(=O)N(C)CCC#N)[C@@H](C)N1CCOCC1 104758094 GHBODZHBBCFMIF-VXGBXAGGSA-N 304.416 -0.225 30 20 DBED C=CCNC(=O)CN1CCN(Cc2nc(COC)no2)CC1 181932056 MKACKGKYGJDHSD-UHFFFAOYSA-N 309.370 -0.364 30 20 DBED C=C(Cl)CNC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 265597199 ZBPAWTYRLCMLBM-UHFFFAOYSA-N 311.729 -0.698 30 20 DBED COC[C@](C)(NS(=O)(=O)c1ccc(C#N)nc1)C(=O)OC 268257757 PYSMVKINMMAPKC-LBPRGKRZSA-N 313.335 -0.190 30 20 DBED Cn1cc(C[C@H](NS(=O)(=O)c2ccc(C#N)o2)C(=O)O)cn1 287325129 VNJGJMSYGKSALO-JTQLQIEISA-N 324.318 -0.141 30 20 DBED CC1(C)COCCN1CCNC(=O)NCCn1cnc(C#N)n1 287331946 GIYDDKINGREGPF-UHFFFAOYSA-N 321.385 -0.440 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@H]3CNC[C@@H]3C2)C1=O 290075714 INMQNELASKVBFN-WDEREUQCSA-N 320.349 -0.969 30 20 DBED CN(C(=O)C(=O)Nc1ccc(C#N)c(F)c1)[C@@H]1COC[C@H]1O 290543756 QRZSUHKRDHQDRO-VXGBXAGGSA-N 307.281 -0.146 30 20 DBED C[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccc(C#N)c(F)c1 291403833 WQSGOBBIIHDOAJ-QMMMGPOBSA-N 304.281 -0.017 30 20 DBED N#Cc1ccc2c(c1)N(C(=O)C(=O)N1CCOC[C@H](O)C1)CC2 296276848 HHDUFTWIGZKDKZ-CYBMUJFWSA-N 315.329 -0.333 30 20 DBED N#CC1(CS(=O)(=O)NCCN2CCCS2(=O)=O)CC1 329633213 SHWVHPDEEAPGQO-UHFFFAOYSA-N 307.397 -0.755 30 20 DBED CC/N=C(/O)N1CCN(C(=O)CN(C)C(=O)COC)CC1 330472811 GZQQXDCLCBCIMI-UHFFFAOYSA-N 300.359 -0.831 30 20 DBED CC(C)C/N=C(/O)NC(=O)[C@H](C)N1CCN2C(O)=NC[C@@H]2C1 331195414 TZKSIHTZZARQFW-WDEREUQCSA-N 311.386 -0.025 30 20 DBED CN(CC(=O)N[C@H]1C[C@@H](O)C1)S(=O)(=O)c1ccc(C#N)cc1 331391993 DJJOBFOJILVWHM-TXEJJXNPSA-N 323.374 -0.182 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)C[C@](C)(O)C2CC2)CC1 339432962 GPHHVZUYMZVFRJ-INIZCTEOSA-N 309.410 -0.016 30 20 DBED CNC(=O)[C@@H](CCSC)NS(=O)(=O)N(C)C[C@H](C)C#N 341666406 PECRBVSEDBXKRL-NXEZZACHSA-N 322.456 -0.220 30 20 DBED N#Cc1ccc(S(=O)(=O)NCCN2C(=O)CCCC2=O)cn1 342309614 YZZWHUMQBORGCU-UHFFFAOYSA-N 322.346 -0.229 30 20 DBED C=C[C@@H](CO)NC(=O)Nc1cccc(C(=O)N(C)CC(N)=O)c1 350639526 PQHUDKSXIWLQQS-NSHDSACASA-N 320.349 -0.088 30 20 DBED C=CCNC(=O)Cc1noc(-c2cn(CC(=O)N(C)C)nn2)n1 350719230 VTBPKARNXYBPJO-UHFFFAOYSA-N 319.325 -0.739 30 20 DBED CCOC(=O)c1cnn(C)c1NC(=O)Cn1cnc(C#N)n1 353751887 ZFWPYDIDJDCYCO-UHFFFAOYSA-N 303.282 -0.301 30 20 DBED N#CCNC(=O)CNC(=O)N1CCN(Cc2ccco2)CC1 358268633 BZLVRFBTIRCCJP-UHFFFAOYSA-N 305.338 -0.253 30 20 DBED Cn1nccc1[C@@H]1CCCN(C(=O)NCC(=O)NCC#N)C1 358319564 YNPGRNJTIKCKOF-LLVKDONJSA-N 304.354 -0.051 30 20 DBED C=CCCn1cc(C(=O)N[C@@H](CC)CNS(C)(=O)=O)nn1 424863542 JPTCWMKUQSSURB-JTQLQIEISA-N 315.399 -0.088 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(C2CC2)[C@@H]2CCNC2)C1=O 435245873 OJIMODAERCFREE-LLVKDONJSA-N 320.349 -0.684 30 20 DBED COC(=O)[C@H]1CNC(=O)CN1S(=O)(=O)CC(C)(C)CC#N 451474740 BETIJXKPADSOBZ-SECBINFHSA-N 317.367 -0.771 30 20 DBED C#CCN(CC#CC)C(=O)NC1CCN(CC(=O)NC)CC1 490698453 NHMUFKOZRMBFLC-UHFFFAOYSA-N 304.394 -0.135 30 20 DBED C#CCNC(=O)C1CCN(S(=O)(=O)c2ccnn2C)CC1 491191811 IEAYRHCCJBKFIF-UHFFFAOYSA-N 310.379 -0.430 30 20 DBED C#CCCN1CCN(CC(=O)N2CCN(CC#C)CC2)CC1 491220204 LISQJNQIGDPGOP-UHFFFAOYSA-N 302.422 -0.595 30 20 DBED C#C[C@H](CC)NC(=O)CCc1nc2c(O)nc(=O)n(C)c2[nH]1 491741913 WDCRPUFPMPRETN-MRVPVSSYSA-N 303.322 -0.177 30 20 DBED COC(=O)N1CC(NCCS(=O)(=O)c2ccc(C#N)cn2)C1 496969148 PWYMTVKZUJRSQO-UHFFFAOYSA-N 324.362 -0.233 30 20 DBED CCC(=O)C[C@@H](NS(=O)(=O)N(C)[C@@H](C)CC#N)C(=O)O 567593145 RTNVWNIDYNBSNE-WCBMZHEXSA-N 305.356 -0.123 30 20 DBED CCN(CC(=O)NC(C)C)C(=O)Cn1cnc(C#N)cc1=O 573247862 QSIKRVPUXZDIOH-UHFFFAOYSA-N 305.338 -0.512 30 20 DBED COCCN(CCC#N)S(=O)(=O)N(C)Cc1cnc[nH]1 573699295 IXXRDSANIFZQJR-UHFFFAOYSA-N 301.372 -0.052 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)NCCN1CCO[C@H](C)C1 578084575 AZXIMPAIWSRITD-NWDGAFQWSA-N 304.416 -0.367 30 20 DBED N#Cc1cc(O)cc(C(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)c1 589190357 ZXKYZYOTLLQXIB-NSHDSACASA-N 300.274 -0.360 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1CC[C@@H](C)[C@@H]1C(=O)O 593270184 ZSTHVCRDLDFRCY-GHMZBOCLSA-N 319.383 -0.112 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@]1(C(=O)O)CCOC1 593271328 KBPKZXCUQXCBCL-GXSJLCMTSA-N 305.356 -0.454 30 20 DBED N#Cc1ncn(CCNC(=O)COc2ccc(CO)cc2)n1 597644913 OTORQBYNHQASRH-UHFFFAOYSA-N 301.306 -0.163 30 20 DBED CO[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(CCC#N)CC2)C1(C)C 602267912 YVERSXXIBADMGQ-CHWSQXEVSA-N 322.409 -0.026 30 20 DBED Cn1c(=O)n(C)c2cc(S(=O)(=O)NCC#CCO)ccc21 632516523 KPYQSWLNEQNJEZ-UHFFFAOYSA-N 309.347 -0.849 30 20 DBED C=C(C)COCCNC(=O)C(=O)N1CCO[C@@H](C(=O)O)C1 643169338 QUMSERQPKNDBBQ-SNVBAGLBSA-N 300.311 -0.993 30 20 DBED N#CC1(C(=O)N2CCC[C@H](S(N)(=O)=O)C2)CCOCC1 707431640 MBOZXUGPQBEQCG-JTQLQIEISA-N 301.368 -0.414 30 20 DBED C=CCCC(=O)OCCn1cnc2c1c(=O)n(C)c(=O)n2C 726652333 NQXUYSCXFXHXAS-UHFFFAOYSA-N 306.322 -0.057 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H](CC)C(=O)N1CCOCC1 752509530 LERUFJJHFVASOO-KGLIPLIRSA-N 307.394 -0.162 30 20 DBED Cn1nc(Br)cc1C(=O)OCC(=O)NCC#N 758814537 LLDNOPQIUPTSGS-UHFFFAOYSA-N 301.100 -0.021 30 20 DBED C#C[C@@H](NC(=O)NCC1CN(S(C)(=O)=O)C1)[C@H]1CCCO1 777637812 LJLFVQNNXVOXQZ-VXGBXAGGSA-N 315.395 -0.642 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC(n2cc(C(=O)OC)nn2)C1 779550135 SLRKFMDPGIKOFA-ZDUSSCGKSA-N 317.349 -0.454 30 20 DBED CCN(CC)C(=O)CNS(=O)(=O)N(CCC#N)CCOC 800019268 MVLPADPZFBPVMR-UHFFFAOYSA-N 320.415 -0.449 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@@H](C)CN1CCCC1=O)[C@H]1CCCO1 803119451 AOPKNDZSPVCFLH-RWMBFGLXSA-N 321.377 -0.590 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@H]1CCN(C(C)C)C1=O)[C@H]1CCCO1 806261209 QDYQWTZQEOWJEK-RWMBFGLXSA-N 321.377 -0.591 30 20 DBED O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@@H]1CCCN(O)C1=O 820470778 FYGSZURJCUUSBB-SECBINFHSA-N 310.266 -0.747 30 20 DBED C#CC1CCN(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2OC)CC1 821140803 BTTYRMRTYJGEKW-VXGBXAGGSA-N 300.380 -0.147 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)NCCCn1cccn1 826877325 DLQVZSXVWULGAM-UHFFFAOYSA-N 306.366 -0.112 30 20 DBED C#CCC[C@H](O)CNC(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 845423549 UPPNRENLFMOCIE-MNOVXSKESA-N 303.384 -0.906 30 20 DBED C#C[C@H](NC(=O)C(=O)NCCC1CCNCC1)[C@H]1CCCO1 846328425 HYXKJMCQKYUDFS-UONOGXRCSA-N 307.394 -0.211 30 20 DBED C[C@H](C#N)OCCN1CCS(=O)(=NS(C)(=O)=O)CC1 846917692 JALBOBVQFPERDM-SNVBAGLBSA-N 309.413 -0.342 30 20 DBED C#CC[C@@H](CCOC)NS(=O)(=O)N(C)CCC(=O)OC 859425573 IEACSJXZCJDATN-NSHDSACASA-N 306.384 -0.256 30 20 DBED C#CC[C@H](CCOC)NC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1 863781487 MRUDULKNHWUCKP-VXGBXAGGSA-N 317.411 -0.554 30 20 DBED C=C(Cl)C[C@@H](N)C(=O)N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 876702229 LVFDGPGGSTVWTF-ZJUUUORDSA-N 314.773 -0.049 30 20 DBED C#CCSCC(=O)N1CCS(=O)(=O)[C@@H]2COCC[C@H]21 909924510 ZGXXUXLYBRTXED-GHMZBOCLSA-N 303.405 -0.233 30 20 DBED CN(C)CC#CCNC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O 913514933 BCLDWXHPPPINBM-STQMWFEESA-N 305.378 -0.157 30 20 DBED C=C(Cl)CN1C(=O)N[C@@H](CC(=O)N2CCOCC2)C1=O 914685812 HNIQRPQUIDOSPI-VIFPVBQESA-N 301.730 -0.092 30 20 DBED C#CC1(O)CN(CC(=O)Nc2c(C(=O)OCC)cnn2C)C1 934446753 IUDJRHCQSQTGMF-UHFFFAOYSA-N 306.322 -0.785 30 20 DBED CN(C(=O)[C@]1(C)CCNC1=O)[C@@H]1CCN(C(=O)C#CC2CC2)C1 937351934 CVOGBURDEKLOTG-CXAGYDPISA-N 317.389 -0.015 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)CC(C)(C)O)C1 941238157 VWURBTMLDUMYRP-KGLIPLIRSA-N 321.421 -0.038 30 20 DBED CCN(C(=O)[C@H]1COC(=O)N1)[C@H]1CCN(C(=O)C#CC2CC2)C1 942767922 DZMVLBYBACYTHD-QWHCGFSZSA-N 319.361 -0.042 30 20 DBED Cn1cc(C(=O)NC2CCN(C(=O)C#CC3CC3)CC2)nn1 946690873 VSGGIWOZZSRXDK-UHFFFAOYSA-N 301.350 -0.051 30 20 DBED C=C(C)C(C)(C)C(=O)N1C[C@H]2C[C@H]1[C@@H]2NC(=O)Cn1ncnn1 947215075 GRXAXYRAQIPOSQ-NTZNESFSSA-N 318.381 -0.009 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)c1cc(=O)n(C)o1)CCO2 949081126 OFMOYMPXYCWIAO-UHFFFAOYSA-N 319.361 -0.082 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]1CNC(=O)c1ccc2nnnn2c1 951063773 OEMGHFBFFIHCOH-KOLCDFICSA-N 313.321 -0.385 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@H]2CCCO2)C1 953673796 UVWHYCXUKFQBFK-LSDHHAIUSA-N 319.405 -0.068 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)C1CCN(C(=O)C(N)=O)CC1 954044549 GPDSXTGYASXNPW-ZDUSSCGKSA-N 320.393 -0.981 30 20 DBED CN(C(=O)C[C@H]1CCC(=O)NC1)C1CN(C(=O)C#CC2CC2)C1 954457029 WKFGYDWUSWXAQV-CYBMUJFWSA-N 317.389 -0.015 30 20 DBED CN(C(=O)c1cnc(O)n1C)C1CN(C(=O)C#CC2CC2)C1 954956947 WHMQXXCBEZTLNF-UHFFFAOYSA-N 302.334 -0.178 30 20 DBED C#CCCN1C[C@H](CNC(=O)c2cnc3n2CCC3)[C@@H](O)C1 958150190 ZREFLVPVSZRGTO-JSGCOSHPSA-N 302.378 -0.125 30 20 DBED N#CCN1C[C@H](O)[C@H](CNC(=O)c2cc(C(F)F)ncn2)C1 958179031 GLVFBDJQVNFJKY-KCJUWKMLSA-N 311.292 -0.040 30 20 DBED C=CCCN1C[C@H](CNC(=O)c2cn(C)ccc2=O)[C@@H](O)C1 958249264 SRQDADYLHCWXLL-WFASDCNBSA-N 305.378 -0.016 30 20 DBED N#Cc1c[nH]c(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@H]3CCOC3)C2)c1 961801558 XYGRETGIJRHPOO-UHTWSYAYSA-N 318.333 -0.776 30 20 DBED C=CCN1CC[C@H](NCC2CC(NC(=O)c3cnn[nH]3)C2)C1=O 962027389 WNCWXMKAKMTUBL-MCIGGMRASA-N 318.381 -0.310 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(C[C@@H](NC(=O)c3ccnn3C)CO2)C1 965648284 YRORMDCZWOCGIS-WDEREUQCSA-N 317.349 -0.321 30 20 DBED CCN(C(=O)c1cn(C)c(=O)n1C)C1CN(C(=O)[C@@H](C)C#N)C1 968066101 IQESBJFXKOUMNS-JTQLQIEISA-N 319.365 -0.444 30 20 DBED C#CCN1CC([C@@H](C)NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 969668265 QHSRJJWTFPHTQG-VXGBXAGGSA-N 315.377 -0.168 30 20 DBED COc1cnc(C(=O)N[C@H]2[C@@H]3CN(C(=O)[C@H](C)C#N)C[C@@H]32)nc1 976896450 USLSJSUTIILHKT-YJQGPUDQSA-N 315.333 -0.169 30 20 DBED CN(C[C@@H]1CCN1C(=O)C#CC1CC1)C(=O)c1cnnn1C 977646467 PLTOHAQLKQOGMM-LBPRGKRZSA-N 301.350 -0.099 30 20 DBED CN(C[C@H]1CCN1C(=O)c1ccc(C#N)[nH]1)C(=O)c1nc[nH]n1 978197834 WTWZNZSULLRGTN-SNVBAGLBSA-N 313.321 -0.009 30 20 DBED C#CCN[C@H]1CCC[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C1 981124855 MPSPLRDMLZVGPG-QWHCGFSZSA-N 318.377 -0.803 30 20 DBED CN(CC#N)C1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)CC1 985754390 OFNHFYTYJMGKRT-UHFFFAOYSA-N 315.337 -0.522 30 20 DBED C#CCN1CCC[C@H](NC(=O)CN2CCCS2(=O)=O)[C@@H]1C 993424751 ZBENYVUWQADYPF-STQMWFEESA-N 313.423 -0.376 30 20 DBED C#CCNC1CCN(C(=O)c2ccc(-n3cnnn3)cn2)CC1 996856884 KPZJGUOWUWZKFY-UHFFFAOYSA-N 311.349 -0.115 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(NC(=O)c2nnn(C)n2)C1 997876389 RVAREMDYLUVNCJ-MNOVXSKESA-N 320.353 -0.868 30 20 DBED Cn1nncc1C(=O)NCc1cn([C@H]2CCN(CC#N)C2)nn1 999991343 NENAHMJMSGLCDC-NSHDSACASA-N 315.341 -0.893 30 20 DBED N#CCN1CC[C@@H](n2cc(CNC(=O)c3ncc[nH]3)nn2)C1 999992841 RUXQZLVKYFAPFE-LLVKDONJSA-N 300.326 -0.298 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)Cn2cncn2)C1 1000021525 FGSRTMFHEJPZKI-NEPJUHHUSA-N 305.338 -0.804 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)CC(N)=O)C1 1006896245 GCKOXRZPYKUIJW-JLLWLGSASA-N 309.366 -0.584 30 20 DBED COCC(=O)N1C[C@H]2[C@H](CNC(=O)c3cc(C#N)c[nH]3)[C@H]2C1 1008903172 HZZYTEJUEUWSOY-CNDDSTCGSA-N 302.334 -0.033 30 20 DBED O=C(C#CC1CC1)N1CCN(C(=O)c2cncnc2O)CC1 1011110529 CYWQSEZBWHTVOF-UHFFFAOYSA-N 300.318 -0.120 30 20 DBED C[C@H]1[C@H](NC(=O)c2ccc(C#N)[nH]2)CCCN1C(=O)C(N)=O 1014882033 QTJSAZICWUYKQF-WCBMZHEXSA-N 303.322 -0.519 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCN(Cc3cnn(C)n3)C2)nn1 1015811124 ZXFXUEORLQZHHU-NSHDSACASA-N 316.369 -0.403 30 20 DBED C[C@H]1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)CN1C(=O)C(N)=O 1018093110 QHAANVTUYQKHCK-WCBMZHEXSA-N 303.322 -0.519 30 20 DBED C=CCN1CC[C@H](N[C@H]2CCN(C(=O)c3[nH]nnc3C)C2)C1=O 1019224175 FORXJJBFEACCJJ-RYUDHWBXSA-N 318.381 -0.296 30 20 DBED C#Cc1ccc(C(=O)N2CCC3(CN(C(=O)C(N)=O)C3)C2)cn1 1019355067 HVMPFCLMYURRIU-UHFFFAOYSA-N 312.329 -0.777 30 20 DBED Cn1cnn(CC(=O)NC2C[C@@H]3CC[C@H](C2)N3CC#N)c1=O 1021304906 MGQWKOZPUBNHNT-YOGCLGLASA-N 304.354 -0.783 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]2CN(C(=O)Cc3nc[nH]n3)C[C@H]21 1022567047 PDFFMOZKQZPFMB-OUAUKWLOSA-N 302.338 -0.434 30 20 DBED C#CCN1CCC[C@H](CNC(=O)C2CC3(C2)NC(=O)NC3=O)C1 1023641237 WJBHQNUVBVPVTF-OPGSHWCFSA-N 318.377 -0.564 30 20 DBED Cn1nnnc1CNC[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 1026759440 HZXGSUOASCOPLZ-SNVBAGLBSA-N 314.353 -0.338 30 20 DBED CN(CC#N)[C@H]1CCCN(C(=O)CN2C(=O)NC(=O)C2(C)C)C1 1027641814 NWLSVKFAFOYXCO-NSHDSACASA-N 321.381 -0.237 30 20 DBED COCCN1C[C@H](C(=O)NC[C@H]2CCN(CC#N)C2)CC1=O 1028578798 VDTUOTIYNOARRN-CHWSQXEVSA-N 308.382 -0.557 30 20 DBED COc1c(O)nc(O)nc1C(=O)NC[C@@H]1CCN(CC#N)C1 1028927248 XLAUOHVMVHFCGI-QMMMGPOBSA-N 307.310 -0.528 30 20 DBED C#CCCN1[C@H]2CC[C@H]1CN(C(=O)Cn1nc(C)n(C)c1=O)C2 1029569988 JUUZXNQZPHGXOJ-KBPBESRZSA-N 317.393 -0.411 30 20 DBED C#Cc1cncc(C(=O)NCC2CN(Cc3nnn(C)n3)C2)c1 1031965330 ISXWINOOXOXDNM-UHFFFAOYSA-N 311.349 -0.552 30 20 DBED C=CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(=O)n2[nH]cnc2n1 1032731089 ZFJHBCFYLGYDKL-UWVGGRQHSA-N 300.322 -0.498 30 20 DBED CN(C(=O)CN1CCCCS1(=O)=O)[C@H]1CCN(CC#N)C1 1033270704 GDPCUUISZFDJJG-LBPRGKRZSA-N 314.411 -0.532 30 20 DBED C=C(C)CN1CCO[C@@H](CNC(=O)[C@@H]2CCS(=O)(=O)C2)C1 1035440753 ZBFBIXJBFCGICQ-OLZOCXBDSA-N 316.423 -0.186 30 20 DBED N#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CN1CCC(=O)NC1=O 1039459418 VSPPBXIMDZXOEJ-NEPJUHHUSA-N 319.365 -0.483 30 20 DBED CC(C)[C@@H](O)C(=O)NC[C@]1(O)CCN(C(=O)C#CC2CC2)C1 1039626959 LDYBXKUCGZDMFB-GDBMZVCRSA-N 308.378 -0.504 30 20 DBED C=CCCC(=O)N1CC[C@](O)(CNC(=O)[C@]2(C)CCC(=O)N2)C1 1040832941 MUTXGKMMIHDUIU-HOTGVXAUSA-N 323.393 -0.299 30 20 DBED C#CCN1CCC2(CC1)CCN(C(=O)Cn1c(O)nnc1O)C2 1040927204 SXAOKLVFJYKBOI-UHFFFAOYSA-N 319.365 -0.363 30 20 DBED N#Cc1cnccc1N1C[C@@H](O)[C@H](NC(=O)c2ncccn2)C1 1041136416 AGJJYLHSRCVXLO-DGCLKSJQSA-N 310.317 -0.277 30 20 DBED C#CCCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCOC2)C1 1041874850 WFXZLVCOHWEMMA-CYBMUJFWSA-N 308.378 -0.094 30 20 DBED COC[C@H](C)C(=O)N1CC(O)(CNC(=O)c2cc(C#N)c[nH]2)C1 1042400641 FMEXCCHOBBWWIX-JTQLQIEISA-N 320.349 -0.528 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)[C@H]2OCCO[C@H]2C)C1 1042806638 ISZVTFNZYNYXCY-JSGCOSHPSA-N 324.377 -0.717 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)Cc2nnc(C)o2)C1 1042886942 NIDDYLXXOADGPF-UHFFFAOYSA-N 320.349 -0.586 30 20 DBED C=CCC(C)(C)C(=O)NCC1(O)CN(C(=O)[C@H]2CCC(=O)N2)C1 1043059888 NDVBBKNTKJUJOC-LLVKDONJSA-N 323.393 -0.443 30 20 DBED C=CCCOCC(=O)NCC1(O)CN(C(=O)c2cccn2C)C1 1043565150 LFVXJAJQYMHMEN-UHFFFAOYSA-N 321.377 -0.079 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)COc2ccsc2)C1 1044018024 LTRIBQLJUKLIEV-JTQLQIEISA-N 323.374 -0.024 30 20 DBED COC1(CC(=O)N2CC(O)(CNC(=O)[C@@H](C)C#N)C2)CCC1 1045541632 ZOPHCVYFQYUSAY-NSHDSACASA-N 309.366 -0.205 30 20 DBED C=C1CCC(C(=O)NCC2(O)CN(C(=O)CC(N)=O)C2)CC1 1045768876 TWNVSOZKGYOCGY-UHFFFAOYSA-N 309.366 -0.702 30 20 DBED C#CCN1CC[C@H](N2CCN(C(=O)Cn3cccn3)CC2)C1 1046004910 GVERZHFFZRMQGY-HNNXBMFYSA-N 301.394 -0.265 30 20 DBED CC#CCN1CC[C@@H](N2CCN(C(=O)c3cnnn3C)CC2)C1 1046029120 ZTOIXGOILLEYNV-CQSZACIVSA-N 316.409 -0.330 30 20 DBED CN(C(=O)Cn1nnc2c1CCCC2)[C@H]1CN(CC#N)C[C@@H]1O 1047529330 YLCNBRWHLDDZOE-KBPBESRZSA-N 318.381 -0.816 30 20 DBED C=CCO[C@@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)OC)C1 1048424511 FVMWVBIFHUYUOD-CYDGBPFRSA-N 314.382 -0.358 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCOC2)C1 1048499952 FLBGOSGLRVMJJK-IHRRRGAJSA-N 308.378 -0.288 30 20 DBED C=CCCC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2COCCO2)C[C@@H]1O 1048505608 ADRNWXDRCYUZDK-AVGNSLFASA-N 312.366 -0.602 30 20 DBED C=CCOCC(=O)N(C)[C@H]1CN(C(=O)c2ccccn2)C[C@@H]1O 1048551325 GFFUSFXBJLJVRM-KBPBESRZSA-N 319.361 -0.072 30 20 DBED C=CCOCC(=O)N1CC[C@H]([C@H](C)NC(=O)CC(=O)NC)C1 1050298931 YZMKKKCDNCEAIL-RYUDHWBXSA-N 311.382 -0.322 30 20 DBED Cn1cncc1[C@@H]1C[C@H]1C(=O)NC[C@H]1COCCN1CC#N 1051121725 WXTQXDIMVYRYNS-YNEHKIRRSA-N 303.366 -0.136 30 20 DBED C[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1CNC(=O)CSCC#N 1053160873 MFKHTBQGHJIDAY-ZJUUUORDSA-N 322.394 -0.114 30 20 DBED C#CCN1CC2(C1)CN(C(=O)[C@@H]1CCN(C)C(=O)C1)CCO2 1053313926 HSPKUUBRDZSRCD-CYBMUJFWSA-N 305.378 -0.599 30 20 DBED C#CCN1CC2(C1)CN(C(=O)[C@@H]1CCn3cncc3C1)CCO2 1053314137 MPTMDAIDHBJAOF-CQSZACIVSA-N 314.389 -0.008 30 20 DBED C#CCN1CC2(C1)CN(C(=O)c1nn(CC)nc1C)CCO2 1053550847 BVSMUELYHXYUND-UHFFFAOYSA-N 303.366 -0.234 30 20 DBED CC#CCN1CC2(CC[C@H](CNC(=O)[C@H]3CCN(C)C3=O)O2)C1 1053642829 LTWYIMZJYWOFJE-ZIAGYGMSSA-N 319.405 -0.162 30 20 DBED C=CCN1CC2(C[C@H](NC(=O)Cn3ccccc3=O)CO2)C1 1054004004 FCJOHGHPUFMSNU-ZDUSSCGKSA-N 303.362 -0.006 30 20 DBED N#Cc1ccc(N2C[C@H]3[C@H](NC(=O)[C@@H]4COCCO4)[C@H]3C2)cn1 1056135184 MXVHSPRWEBUEDF-LJISPDSOSA-N 314.345 -0.081 30 20 DBED Cc1ccc(C#N)c(N[C@@H]2CCN(C(=O)[C@H]3CNC(=O)N3)C2)n1 1056764215 MBZGUYYIQDQVCH-VXGBXAGGSA-N 314.349 -0.044 30 20 DBED N#Cc1cnc(N2CCCN(C(=O)Cn3cncn3)CC2)cn1 1057139524 HOMOCIJTSPNXIO-UHFFFAOYSA-N 312.337 -0.321 30 20 DBED C#CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)c1cn(C)cn1 1057346406 AISZEOJODHKZDZ-LBPRGKRZSA-N 322.365 -0.991 30 20 DBED C#CCNC(=O)CC(=O)N(CCO)CCNC(=O)CCCC 1057390889 UIXONXNXUNSXPV-UHFFFAOYSA-N 311.382 -0.747 30 20 DBED CC(C)(C)C#CC(=O)N(CCO)CCNC(=O)[C@@H]1[C@H]2COC[C@H]21 1057540209 LAXYKFRDCNYRGB-NHAGDIPZSA-N 322.405 -0.135 30 20 DBED N#Cc1ccc(N2CCC(NC(=O)[C@@H]3COC(=O)N3)CC2)nn1 1057865033 VGFASDNNNRSXTO-NSHDSACASA-N 316.321 -0.458 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)C12CCN(CC1)C2 1058162080 KDUKWPLEBLOUGP-UHFFFAOYSA-N 321.421 -0.177 30 20 DBED Cc1cc(C#N)nc(N2CC[C@H](NC(=O)[C@H]3CCC(=O)N3)C2)n1 1058313299 LNILUDPILKMZPV-CMPLNLGQSA-N 314.349 -0.370 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)c1cn(CC)nn1 1058666417 ODKLIMFCSVDBCK-UHFFFAOYSA-N 321.381 -0.348 30 20 DBED N#Cc1cncc(NC[C@H]2CCN(C(=O)Cn3cnnn3)C2)n1 1060803473 OMRMRBDINCMWEU-SNVBAGLBSA-N 313.325 -0.705 30 20 DBED C=CCOCC(=O)NC[C@H]1COCCN1C(=O)Cc1ncc[nH]1 1061425515 DDPCIRZNZZJZHZ-LBPRGKRZSA-N 322.365 -0.502 30 20 DBED Cn1nncc1C(=O)NC[C@H]1CCN(c2ccnc(C#N)n2)C1 1061590683 BVHSVYJBQFNWGU-SNVBAGLBSA-N 312.337 -0.267 30 20 DBED C=CCC(C)(C)C(=O)NC[C@H]1COCCN1C(=O)CC(N)=O 1061590993 BMBWYMPDYONQLK-NSHDSACASA-N 311.382 -0.192 30 20 DBED C#CCCCCCC(=O)NC[C@@H]1COCCN1C(=O)CC(N)=O 1061756515 IMOHPZWCWXAMCJ-CYBMUJFWSA-N 323.393 -0.211 30 20 DBED N#Cc1cncc(N2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2COC(=O)N2)n1 1062480800 AWMWOSWELLJOPQ-DCAQKATOSA-N 314.305 -0.754 30 20 DBED C[C@@H]1C[C@H](N=c2cc[nH]c(C#N)n2)CCN1C(=O)c1cnn[nH]1 1064838112 VIVIKAJGLQCEGU-NXEZZACHSA-N 312.337 -0.007 30 20 DBED C=CCCO[C@@H](C)C(=O)N1CCO[C@@H](CNC(=O)COC)C1 1064941125 FHSHAXKXFUHURC-STQMWFEESA-N 314.382 -0.042 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H]1CCCN1C(=O)[C@@H]1CNC(=O)N1 1064997700 IDPRWURKJJCRIL-AAEUAGOBSA-N 314.349 -0.541 30 20 DBED C=C(C)CCC(=O)NC[C@H]1CN(C(=O)[C@H]2CCNC2=O)CCO1 1065423408 ZITIOOLFXSKQCW-STQMWFEESA-N 323.393 -0.178 30 20 DBED Cc1ccn(CC(=O)NC[C@@H]2CN(C(=O)[C@@H](C)C#N)CCO2)n1 1065557717 UOFQDBUSGCLCLB-WCQYABFASA-N 319.365 -0.305 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@H](NC(=O)[C@H](C)C#N)CC1 1066476116 VQTVKWXTNQOUKI-OLZOCXBDSA-N 318.377 -0.217 30 20 DBED N#Cc1cccnc1N1C[C@H](CNC(=O)c2nc[nH]n2)[C@@H](O)C1 1067676195 NXAMDWBXWVDRMI-QWRGUYRKSA-N 313.321 -0.702 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1COC2(C1)CN(C(=O)C1=CCOCC1)C2 1069003126 KFCKZTOAYBASRW-DGCLKSJQSA-N 319.361 -0.021 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](n2ccnn2)[C@H](NCc2cnon2)C1 1070161115 VKIAUOJKSKHOPS-JLLWLGSASA-N 316.325 -0.638 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)[C@H]2C[C@H]2C(N)=O)CCOCC1 1070255733 OXHSFPZIKNCIFX-AXFHLTTASA-N 322.365 -0.951 30 20 DBED C=CCCO[C@@H](C)C(=O)N[C@@H]1CCCN(C(=O)CC(N)=O)C1 1070574576 ZUDFWAVRFKCGNS-NWDGAFQWSA-N 311.382 -0.050 30 20 DBED C[C@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1NC(=O)C#CC1CC1 1072165798 SWFJAPGZRDZHSP-JQWIXIFHSA-N 302.338 -0.950 30 20 DBED C#CCOCCC(=O)NC1(C)CCN(C(=O)CNC(C)=O)CC1 1072834703 CMTZOMGRUWJIRX-UHFFFAOYSA-N 323.393 -0.340 30 20 DBED N#CCN1CCC2(C1)CN(C(=O)C1CCS(=O)(=O)CC1)C2 1073028507 QCGLVMYYUYLENF-UHFFFAOYSA-N 311.407 -0.131 30 20 DBED CC(C)N1CCO[C@H](C(=O)NC[C@H]2CN(CC#N)CCCO2)C1 1073741488 UNLSSSPHKBSULZ-GJZGRUSLSA-N 324.425 -0.174 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CCN(C(=O)c2cnco2)CC1 1074649777 JETHEWGZUIMXAN-JTQLQIEISA-N 306.322 -0.082 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2cnc(OC(C)C)cn2)C1 1076994589 LNSFUTSSRSVEKO-CHWSQXEVSA-N 304.350 -0.328 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)CN2C(=O)CC(C)(C)C2=O)C1 1077002871 KEJLJJLHYOYDKM-VXGBXAGGSA-N 323.393 -0.491 30 20 DBED C#CCOCCC(=O)N[C@@H](C)CCNC(=O)[C@@H]1CCC(=O)NC1 1077282508 DAYMQRHCZQMIOQ-QWHCGFSZSA-N 323.393 -0.437 30 20 DBED CCN(C(=O)CN1C(=O)CCC1=O)C1CN(C(=O)[C@H](C)C#N)C1 1079754214 HMBLYZCNFIZVIM-SNVBAGLBSA-N 320.349 -0.646 30 20 DBED C#CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)[C@@H](C)CC(N)=O)C1 1079775270 VVKZSWHOMUIXJV-NWDGAFQWSA-N 323.393 -0.405 30 20 DBED CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)CCNC(=O)COC)C1 1080420518 VSXITWIWRUZXIG-NSHDSACASA-N 324.381 -0.642 30 20 DBED O=C(NC1(CO)CCN(C(=O)C#CC2CC2)CC1)c1cnon1 1080963056 NKJWJMPLMDYIFW-UHFFFAOYSA-N 318.333 -0.434 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2ccccn2)C[C@H]1O 1081344468 QICISKAZTSJTRZ-GXTWGEPZSA-N 319.361 -0.167 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)Cc2ccoc2)C[C@@H]1O 1081347191 RXBCEHYVCMXLDT-KGLIPLIRSA-N 322.361 -0.040 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)Cc2cc[nH]n2)C[C@@H]1O 1081464075 VIFWIHBHMXDTHE-JSGCOSHPSA-N 318.377 -0.453 30 20 DBED CC(=O)N(C)CC(=O)N1C[C@@H](O)[C@H](CNC(=O)C#CC(C)C)C1 1081464153 WIGNWSPRXDPZLE-ZIAGYGMSSA-N 323.393 -0.940 30 20 DBED Cc1c[nH]nc1C(=O)N1C[C@@H](O)[C@H](CNC(=O)C#CC2CC2)C1 1081471139 JTCPLKAJLCQTBH-CHWSQXEVSA-N 316.361 -0.319 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(C(=O)c2cnco2)C[C@@H]1O 1081473773 KLWRZRBQVSZWJY-NEPJUHHUSA-N 303.318 -0.363 30 20 DBED C=CCCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)Cn2cncn2)C1 1081787315 DOPVYRZCHMNFBF-QWHCGFSZSA-N 321.381 -0.430 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H]2CN(Cc3nncn3C)C[C@@H]21 1083026263 UDMLCIHQLHNPQF-GRYCIOLGSA-N 304.354 -0.614 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCCN2C(=O)CCC)C1 1084084785 AUTCTACNBMBXPL-KFWWJZLASA-N 321.421 -0.038 30 20 DBED CC#CCN1CC[C@H](NC(=O)CN2CCC(=O)NC2=O)[C@H]1CC 1087786307 VUVMEKAPSKDXDC-QWHCGFSZSA-N 320.393 -0.079 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2cnn3ccncc23)[C@@H](O)C1 1090328294 ZWMNCOYQJRDSNR-HIFRSBDPSA-N 313.361 -0.082 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2cnc3[nH]nnc3c2)[C@@H](O)C1 1090328300 ZXKXXJIIKGSLLS-YPMHNXCESA-N 314.349 -0.459 30 20 DBED CCCOCC(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1O 1090380819 MCMRTJKMLASXKT-VXGBXAGGSA-N 305.338 -0.559 30 20 DBED CCOc1cc(N2C[C@@H](O)[C@H](NC(=O)[C@H](C)C#N)C2)ncn1 1090392251 RJJBXHMNIZUPOE-GMTAPVOTSA-N 305.338 -0.299 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCN(CCOC)C[C@@H]2O)nn1 1090632593 IOJAKORBTLAEMF-YPMHNXCESA-N 309.370 -0.725 30 20 DBED C[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1NC(=O)CS(C)(=O)=O 1090663288 WEMVTJDAHZUILC-MWLCHTKSSA-N 323.378 -0.666 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](Nc2ncccn2)[C@H](C)C1 1090972197 MEKHMIUMQCNBSN-VXGBXAGGSA-N 301.350 -0.125 30 20 DBED CO[C@@H](C)C(=O)N[C@@H]1CN(c2nc(C)ccc2C#N)C[C@@H]1O 1091067655 MCFIHDXMCLXIFL-UHTWSYAYSA-N 304.350 -0.038 30 20 DBED COCCCC(=O)N[C@@H]1CCN(c2cnc(C#N)cn2)C[C@H]1O 1092136100 DISIVQWNIDZNBH-CHWSQXEVSA-N 319.365 -0.169 30 20 DBED N#Cc1c[nH]ccc1=NC1CC(CNC(=O)C2(C(N)=O)CC2)C1 1092259200 UPGRHQDAZLJEMI-UHFFFAOYSA-N 313.361 -0.053 30 20 DBED C#CCN1CC(OC2CCN(C(=O)[C@H]3COC(=O)N3)CC2)C1 1093533018 UHAPCHZMAOJJDK-CYBMUJFWSA-N 307.350 -0.580 30 20 DBED CCn1ncc(C(=O)NCCCN=c2cc[nH]c(C#N)n2)n1 1094398977 NZMSWMAIGSZVBZ-UHFFFAOYSA-N 300.326 -0.386 30 20 DBED CO[C@H](C(=O)NCCCN=c1cc[nH]c(C#N)n1)[C@@H]1CCOC1 1094684333 SIOKRDKQOVSVOO-RISCZKNCSA-N 319.365 -0.260 30 20 DBED CN(CCCNC(=O)Cn1cnnn1)c1ccncc1C#N 1095485370 RGCBUVNVBOTZLV-UHFFFAOYSA-N 300.326 -0.418 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H](C)N1C(=O)CCC1=O 1095495501 RQOXXSDGRDYCTE-RNJOBUHISA-N 303.362 -0.121 30 20 DBED CO[C@@H](C)C(=O)NCCN1CCN(c2ccc(C#N)nn2)CC1 1096270877 LWJQHMJMXKTFTC-LBPRGKRZSA-N 318.381 -0.379 30 20 DBED CS(=O)(=O)CC(=O)N[C@H]1CCN(c2ncccc2C#N)C1 1096343701 UAFBTVFELBCNCO-NSHDSACASA-N 308.363 -0.307 30 20 DBED CC(=O)NCC(=O)N1[C@H]2CC[C@H]1CN(c1cnc(C#N)cn1)C2 1096879456 QVMPPTZKCNZVSO-STQMWFEESA-N 314.349 -0.336 30 20 DBED CC(=O)N[C@H](C)C(=O)N[C@H]1C[C@H](Nc2ccc(C#N)nn2)C1 1096987825 ZYDUPSMZAKTPTF-GGZOMVNGSA-N 302.338 -0.068 30 20 DBED CNC(=O)C1(C(=O)N[C@H]2C[C@@H](Nc3cncc(C#N)n3)C2)CC1 1097197407 FGDJUGYOGWOZBF-AOOOYVTPSA-N 314.349 -0.066 30 20 DBED CCN1CCO[C@H](C(=O)NC[C@H](C)Nc2ccc(C#N)nn2)C1 1097874227 DXSVOPXPALXGOT-AAEUAGOBSA-N 318.381 -0.014 30 20 DBED N#Cc1cnc(NC[C@@H]2CCN(C(=O)CNC(N)=O)C2)cn1 1098501085 QZGPTKBLTLVQJB-VIFPVBQESA-N 303.326 -0.723 30 20 DBED C#CCN(CCO)C1CCN(C(=O)COCCN(C)C)CC1 1098532701 AWBNJXPICGATKI-UHFFFAOYSA-N 311.426 -0.517 30 20 DBED Cc1cc(=N[C@@H](C)CCNC(=O)c2nnn(C)n2)c(C#N)c[nH]1 1099621346 JDGJFGKZGBWSHZ-VIFPVBQESA-N 314.353 -0.172 30 20 DBED C#CCCCCC(=O)N[C@H]1CCN(CC(=O)N(C)C)C[C@H]1O 1099787240 VIZGUXUROVGHNH-UONOGXRCSA-N 309.410 -0.180 30 20 DBED CCN(C)C(=O)CN1CC[C@H](NC(=O)C#CC2CC2)[C@H](O)C1 1099813252 MPWZLWJKRDOMIO-UONOGXRCSA-N 307.394 -0.571 30 20 DBED C#CCN1CC[C@@H](NC(=O)COCc2ccnc(O)c2)[C@H](O)C1 1099893196 WGFXORYDLVLSOB-ZIAGYGMSSA-N 319.361 -0.512 30 20 DBED CN(CCNC(=O)[C@H]1CCNC(=O)C1)c1ccnc(C#N)n1 1100007115 UHOWCGUVLHJSFR-JTQLQIEISA-N 302.338 -0.573 30 20 DBED Cc1cc(C#N)nc(N(C)CCNC(=O)[C@H]2COC(=O)N2)n1 1100049818 VQLPASIIPMBJQR-SNVBAGLBSA-N 304.310 -0.683 30 20 DBED CCN1CCO[C@H](C(=O)NCCN(C)c2cnc(C#N)cn2)C1 1100135402 QEMGWSILCJXPBG-ZDUSSCGKSA-N 318.381 -0.379 30 20 DBED CCN(CCNC(=O)[C@H]1COC(=O)N1)c1nc(C)cc(C#N)n1 1100511059 KOFDFNQXYNMUIX-LLVKDONJSA-N 318.337 -0.292 30 20 DBED CC(=O)N[C@H](C)C(=O)NC[C@H]1CCCN1c1cnc(C#N)cn1 1100775551 ZCRBGQCXCXKZBJ-ZWNOBZJWSA-N 316.365 -0.042 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CN(C(=O)CCOC)C[C@]2(C)C1 1101102441 GBKPXLPNNWDPFZ-CJNGLKHVSA-N 307.394 -0.447 30 20 DBED CN(CCNc1ccc(C#N)nn1)C(=O)CCn1cncn1 1101501790 LBGNLOMFSJRLHB-UHFFFAOYSA-N 300.326 -0.100 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H]1CCN(c2ncccn2)C1 1102316803 RPNXFHXORQAKPK-ZDUSSCGKSA-N 315.377 -0.051 30 20 DBED C=CCCN1C[C@@H](C)[C@H](CNC(=O)CN2CC(=O)NC2=O)C1 1102472813 WXIQMIAPAICREQ-VXGBXAGGSA-N 308.382 -0.202 30 20 DBED C[C@H](CNc1cncc(C#N)n1)N(C)C(=O)CCn1cnnn1 1104647669 LEEKSEMUOJQHDA-SNVBAGLBSA-N 315.341 -0.316 30 20 DBED C=C(C)CNCc1cn(C2CN(C(=O)[C@@H]3COCCO3)C2)nn1 1105165469 OXNAUCJPMYPSTG-AWEZNQCLSA-N 321.381 -0.258 30 20 DBED CC(=O)NCC(=O)N1C[C@]2(C[C@@H](O)[C@H](NCC#N)C2)[C@@H]1C(C)C 1105587328 FWRINCJDMNGSMK-VDERGJSUSA-N 322.409 -0.388 30 20 DBED C[C@H]1CCN(CC(=O)NC[C@H](O)CN=c2cc[nH]cc2C#N)C1 1106105859 YYBNNWRJDMZJDE-GXTWGEPZSA-N 317.393 -0.394 30 20 DBED CNC(=O)NCC(=O)N[C@@H](C)CCNc1cnc(C#N)cn1 1106615913 MFZXZGYEPQPSFD-VIFPVBQESA-N 305.342 -0.416 30 20 DBED C[C@@H]1CN(C(=O)CNC(=O)C2CCOCC2)C[C@H]1CNCC#N 1106778176 CJIRRQLRAQWTTL-TZMCWYRMSA-N 322.409 -0.263 30 20 DBED COCC#CCN1CC(n2cc(CNC(=O)[C@@H](C)OC)nn2)C1 1107139313 OMZKLHBAUYPQQI-GFCCVEGCSA-N 321.381 -0.564 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](C)NC(=O)[C@H]2CCC(=O)N2)n1 1107665258 SKHAIZFFUWCXRL-MWLCHTKSSA-N 302.338 -0.148 30 20 DBED C#CCNC(=O)[C@H](C)N1CCO[C@@](C)(CNC(=O)C2CC2)C1 1107675201 IDDDWFHRPHNCFO-LRDDRELGSA-N 307.394 -0.259 30 20 DBED C#CCCN1CCO[C@](C)(CNC(=O)Cn2cnnc2O)C1 1107887295 VISAJKWBPNPNIO-CQSZACIVSA-N 307.354 -0.786 30 20 DBED COCC#CCN1CCO[C@](C)(CNC(=O)Cn2nccn2)C1 1107973662 XIHLSOVTAPGAGR-OAHLLOKOSA-N 321.381 -0.865 30 20 DBED C=CCN1CCO[C@@](C)(CNC(=O)CN2CCC(=O)NC2=O)C1 1108329824 WJUUJXGWVSXFJP-HNNXBMFYSA-N 324.381 -0.679 30 20 DBED C[C@@H](CN(C)c1ccc(C#N)cn1)NC(=O)Cn1cnnn1 1108850925 SUZWQEBVFOHUDU-JTQLQIEISA-N 300.326 -0.419 30 20 DBED CNC(=O)CC(=O)N1CCC[C@H]1CNc1ccc(C#N)nn1 1110539744 JEQDYTLJULHPRF-NSHDSACASA-N 302.338 -0.113 30 20 DBED N#Cc1cncc(N2CC[C@@](O)(CNC(=O)[C@H]3CCOC3)C2)n1 1111043225 AEWJGXVJKWSHMU-XHDPSFHLSA-N 317.349 -0.558 30 20 DBED C[C@H](N=c1cc[nH]cc1C#N)[C@@H]1CCN(C(=O)CNC(N)=O)C1 1111205398 KUBXHKRXUINHOC-WDEREUQCSA-N 316.365 -0.308 30 20 DBED N#Cc1ccc(NCCN(CCO)C(=O)c2ccnnc2)nn1 1111567545 MMTNUUKYNVXVQZ-UHFFFAOYSA-N 313.321 -0.315 30 20 DBED CN(C)C(=O)CC(=O)N(CCO)CCNc1ncccc1C#N 1111573253 WNEOSZBWXVVNKF-UHFFFAOYSA-N 319.365 -0.336 30 20 DBED C#CCNC(=O)CNC[C@]12CCC[C@H]1CN(C(=O)[C@H](C)OC)C2 1112274790 XBTNPVNXEADZJN-ZQIUZPCESA-N 321.421 -0.011 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(c2nccnc2C#N)C[C@@H]1O 1112701280 FUPWAKFHPRGBJS-YPMHNXCESA-N 317.349 -0.536 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)CCc2ccon2)CC1 1113102343 DROHVXPFRXHUHK-ZDUSSCGKSA-N 318.377 -0.111 30 20 DBED C[C@@H](N=c1cc[nH]c(C#N)n1)[C@@H](C)NC(=O)Cc1nc[nH]n1 1113150651 PBDKCLQVHDXLJH-RKDXNWHRSA-N 300.326 -0.564 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)[C@@H](CC)NC(C)=O)CC1 1113368832 WVYPODFZGSKRQU-GXTWGEPZSA-N 324.425 -0.264 30 20 DBED COCC#CCN1CCN(C(=O)[C@H](C)CS(C)(=O)=O)CC1 1113693282 CRGXZJJICYCXOV-CYBMUJFWSA-N 316.423 -0.539 30 20 DBED CNC(=O)CCCCC(=O)N1CCN(CC(=O)NCC#N)CC1 1113707848 DHJRQRMNWSVJFJ-UHFFFAOYSA-N 323.397 -0.923 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3scnc3C)[C@H]2C1 1113912933 DHUZCDJZGKUJQH-PJXYFTJBSA-N 318.402 -0.139 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@H]2CN(Cc3cc(C)on3)C[C@H]12 1114158504 YQBRCONSKOKYDF-STQMWFEESA-N 316.361 -0.331 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@@H]2CN(Cc3cnns3)C[C@@H]12 1114160108 RQWDKWSWDPJMSW-GHMZBOCLSA-N 319.390 -0.776 30 20 DBED C=C(Cl)CN1C[C@@H]2C(NC(=O)CN(C)C(=O)COC)[C@H]2C1 1114365919 HNVZFOTYTMQHKO-QWRGUYRKSA-N 315.801 -0.110 30 20 DBED C=CCCCN1C[C@H]2[C@H](NC(=O)CNS(=O)(=O)NC)[C@H]2C1 1114624243 NXQOHVWGLUYFKI-PJXYFTJBSA-N 316.427 -0.947 30 20 DBED CO[C@H](CC(C)C)C(=O)NC1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]12 1114803682 MPVWLWLFEWCTDY-JHJVBQTASA-N 322.409 -0.266 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)Cc3cnc[nH]3)[C@H]2C1 1114885198 KOJIOPYWRIKEFO-JYAVWHMHSA-N 303.366 -0.699 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)[C@@H](C)OCCOC)[C@@H]2C1 1114918507 DFPDFCDRHBFQCU-MGPQQGTHSA-N 310.394 -0.266 30 20 DBED CN(CCOCCNC(=O)c1nc[nH]n1)c1ccc(C#N)cn1 1115226260 SCPRCOKCMKMKJF-UHFFFAOYSA-N 315.337 -0.046 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@H]1[C@@H]2CN(CC(=O)N3CCC3)C[C@@H]21 1115331986 HPVJDZBNDMAXHN-RMRHIDDWSA-N 307.394 -0.144 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](CO)Nc1ncnc2c1CN(C)CC2 1121205998 SNDQQTGCANGSHE-QWRGUYRKSA-N 318.381 -0.487 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)C[C@@H]2CCC(=O)N2)nc1 1121771539 UVFFGYMIZBAZLG-NWDGAFQWSA-N 317.349 -0.489 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H](CO)CNC(=O)[C@@]1(F)CCOC1 1122411500 QJTXBMYSLXPPQL-BXUZGUMPSA-N 308.313 -0.607 30 20 DBED N#Cc1nc(=N[C@@H](CO)CNC(=O)c2ccc(Cl)[nH]2)cc[nH]1 1122464388 AYDSNZFSTQQCHJ-MRVPVSSYSA-N 320.740 -0.046 30 20 DBED COC[C@H](OC)C(=O)NC[C@H](CO)Nc1ccc(C#N)nc1 1122466554 PMXCYLDVHVAATQ-OLZOCXBDSA-N 308.338 -0.496 30 20 DBED N#Cc1nc(=N[C@H](CO)CNC(=O)C2(CF)CCC2)cc[nH]1 1122585633 RKNBVIICGCHGCO-JTQLQIEISA-N 307.329 -0.201 30 20 DBED CN(C[C@H](O)CNc1nccnc1C#N)C(=O)CCCC(N)=O 1124394141 RTKDJSXWIPUCLD-SNVBAGLBSA-N 320.353 -0.765 30 20 DBED C=CCCO[C@H](C)C(=O)NCCNCCOCCNC(C)=O 1124488903 VYPDGUPKRMKWGR-CYBMUJFWSA-N 315.414 -0.174 30 20 DBED C=CCOCC(=O)NCCN[C@@H](C)C(=O)NC(=O)NC1CC1 1124772933 MBGFPJVFZJVQPB-JTQLQIEISA-N 312.370 -0.729 30 20 DBED CC(=O)NCC(=O)N(C)C[C@H](O)CN(C)c1ccncc1C#N 1124939752 LVDTUUCRCNYZPJ-CYBMUJFWSA-N 319.365 -0.655 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCNC[C@@H]1CCS(=O)(=O)C1 1126365768 NHVIUZWBXUJPMA-WCQYABFASA-N 304.412 -0.546 30 20 DBED CC(C)C#CC(=O)NCCNCC(=O)N1CCC[C@@H](C(N)=O)C1 1126834397 QDXKVTRAMRSLBB-CYBMUJFWSA-N 322.409 -0.925 30 20 DBED CCc1nccn1[C@H](C)CC(=O)NCCNCC(=O)NCC#N 1127679237 KLKGSYOCKBZCOR-GFCCVEGCSA-N 320.397 -0.258 30 20 DBED N#CCN1CCn2ncc(CNC(=O)CO[C@H]3CCOC3)c2C1 1128351349 WIHKQLGJWXQPAK-ZDUSSCGKSA-N 319.365 -0.356 30 20 DBED C#CCC1(C(=O)NCCN[C@H](C)C(=O)NC(N)=O)CCOCC1 1129121472 WKRDXYRFPRRFHA-LLVKDONJSA-N 324.381 -0.904 30 20 DBED C=CCOCC(=O)N1C[C@H](n2ccnn2)[C@H](NC[C@H](C)OC)C1 1129680841 CGBUDTIJMJYVKB-MJBXVCDLSA-N 323.397 -0.143 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CCn2cncc2C1 1130407695 WTOKCMCLWQGTKL-CHWSQXEVSA-N 319.409 -0.158 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@@H](NCC#N)[C@H](c2cncn2C)C1 1130991421 JGLTZVTXTWRZNW-MGPQQGTHSA-N 315.377 -0.134 30 20 DBED C[C@H](C[C@@H](C)NC(=O)c1ccc(O)nn1)NCC(=O)NCC#N 1133610601 HNECYIADUHKIPL-NXEZZACHSA-N 320.353 -0.692 30 20 DBED C=CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)CN(C)C(C)=O 1133740141 BDLHJCAKZDZLIO-NEPJUHHUSA-N 312.414 -0.360 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)Cc1cncnc1 1134218277 BJBGPWUGPKNVLM-QWHCGFSZSA-N 317.393 -0.359 30 20 DBED C[C@H](C[C@@H](C)NC(=O)C#CC1CC1)NCCN1C(=O)CNC1=O 1134323127 YQNXAGVHUSXCFX-VXGBXAGGSA-N 320.393 -0.176 30 20 DBED C=C(C)CN[C@H](C)C[C@H](C)NC(=O)CN1C(=O)C(=O)N(C)C1=O 1135592102 CARLGYJTVTVVBI-MNOVXSKESA-N 324.381 -0.144 30 20 DBED CCCn1cc(C(=O)NCCNCC(=O)NCC#N)c(C)n1 1135712080 RFEKGIXUZRPWMD-UHFFFAOYSA-N 306.370 -0.439 30 20 DBED C=CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)CCNC(N)=O 1146217103 VOVGHOGCDVBONX-WDEREUQCSA-N 313.402 -0.780 30 20 DBED CC(C)C#CC(=O)N1CC2(CCN(Cc3nnnn3C)C2)C1 1147499016 NIYZBKDIHWUPOO-UHFFFAOYSA-N 302.382 -0.096 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)[C@@H]1CO[C@H](C)C1)C2 1147811809 SBLJRAZXMXEQIU-KGLIPLIRSA-N 319.405 -0.305 30 20 DBED CC#CCN1CCCO[C@@H](CNC(=O)CCS(C)(=O)=O)C1 1149913025 BBTMVXJAOUEEAA-ZDUSSCGKSA-N 316.423 -0.349 30 20 DBED C=CCO[C@@H](C)C(=O)NCCNCCN(C)S(C)(=O)=O 1153135232 OFBLKDAPEMUDME-NSHDSACASA-N 307.416 -0.825 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)NCCCNC(=O)COCC 1154341335 PVRHNKHBEGHLHZ-LLVKDONJSA-N 314.386 -0.481 30 20 DBED C=CCOCC(=O)NCCCN[C@H](C)C(=O)NCCCOC 1155731705 FPDZHPJGPWDSCY-CYBMUJFWSA-N 315.414 -0.174 30 20 DBED C=C(Cl)CNCCCNC(=O)Cn1cnc(C(N)=O)n1 1158362582 GOOHNJLKCZWXFW-UHFFFAOYSA-N 300.750 -0.775 30 20 DBED Cc1nc(O)c(C(=O)NCCCNCC(=O)NCC#N)nc1C 1160752006 DSDILOUFQHXLJD-UHFFFAOYSA-N 320.353 -0.852 30 20 DBED C#CCO[C@H](C)C(=O)NCCC1(CN[C@H]2CCNC2=O)CC1 1164505272 WADKYVXIQKLGSS-OLZOCXBDSA-N 307.394 -0.211 30 20 DBED C#CCNCC1(CCNC(=O)[C@H]2CC(=O)N(CCOC)C2)CC1 1165307807 VQYCUDIESLNUAR-AWEZNQCLSA-N 321.421 -0.009 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)CCCCN[C@@H](CC)C(N)=O 1170310545 JGVBITVZUXIBGB-OLZOCXBDSA-N 324.425 -0.346 30 20 DBED C#CCCN1CCO[C@@H]2CCN(C(=O)CNC(=O)OC)C[C@H]21 1176938884 ZLGLTVCLCOSVIW-CHWSQXEVSA-N 309.366 -0.333 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)CCC(=O)NCC)C[C@H]21 1176962576 KGGIQRZDLZKDKW-ZIAGYGMSSA-N 307.394 -0.162 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)CC(=O)NCC3CC3)C[C@H]21 1177124344 JNARQBPQXZFYJK-HUUCEWRRSA-N 319.405 -0.162 30 20 DBED C#CCCNC[C@@H]1C[C@H]2CC[C@H]1N(C(=O)Cn1cnnn1)C2 1177595135 SRNRZWZTAOTTRQ-HZSPNIEDSA-N 302.382 -0.087 30 20 DBED CCCc1cc(C(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)n[nH]1 1184746921 QDYZHBLHIGSKFX-GFCCVEGCSA-N 318.381 -0.194 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)CCc2cnn[nH]2)C1 1185750314 VYJDFXSSKHLJEW-DGCLKSJQSA-N 320.397 -0.382 30 20 DBED C#CCOCCC(=O)N1CC[C@H](N(C)[C@@H]2CCN(C)C2=O)C1 1190115264 YNCPCUKQKMAFPR-UONOGXRCSA-N 307.394 -0.210 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)[C@H]2CCCC(=O)N2)C1 1190819671 ZSOJLYFKGJEXCN-QWHCGFSZSA-N 322.409 -0.510 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2cc(C)no2)C[C@H]1O 1192844578 YMSUSMKPERKDCB-IACUBPJLSA-N 307.350 -0.317 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)[C@H](C)NS(=O)(=O)CC)C1 1193141903 XCSLDXSWIMEATN-QJPTWQEYSA-N 319.427 -0.948 30 20 DBED C=C(Cl)C(C)(C)C(=O)N[C@@H]1CN(CC(=O)NC)C[C@H]1O 1193258418 JIDHPDNFWNAIFM-NXEZZACHSA-N 303.790 -0.328 30 20 DBED Cc1[nH]nc(C(=O)N2CCCN(CC(=O)NCC#N)CC2)c1O 1195487976 LSTCVJGVDDENME-UHFFFAOYSA-N 320.353 -0.789 30 20 DBED CC#CCCCC(=O)N1CCCN(CC(=O)NC(N)=O)CC1 1196839066 PZZXNNWKKQVHOU-UHFFFAOYSA-N 308.382 -0.091 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)N2CCCC2=O)C1 1199422389 LWROEQXPNDZZGG-IIAWOOMASA-N 321.421 -0.182 30 20 DBED CN1C(=O)CCC[C@H]1C(=O)N1CCCO[C@@H](CNCC#N)C1 1201965007 DNBYKBWQOYJICM-STQMWFEESA-N 308.382 -0.272 30 20 DBED CNC(=O)NC(C)(C)C(=O)N1CCC(NCC#CCOC)CC1 1203896116 IRRNZRXDSZXZJG-UHFFFAOYSA-N 324.425 -0.076 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)[C@H]2CCCNC2=O)C1 1208373905 RRSJXLXSUGYFTG-STQMWFEESA-N 322.409 -0.605 30 20 DBED COC[C@@H](O)CN1C[C@@H](NC(=O)CSCC#N)[C@H](OC)C1 1211886607 QONZNLBSCCFXPP-QJPTWQEYSA-N 317.411 -0.934 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)CCOCC)[C@H](OC)C1 1212017848 SQQHKUSVHZKNNZ-CHWSQXEVSA-N 313.398 -0.469 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2ncccn2)C[C@H]1OC 1212258275 PXQOHCWQWHAPBR-MGPQQGTHSA-N 318.377 -0.170 30 20 DBED C[C@@H]1CN(C(=O)c2ccnc(F)c2)C[C@H]1NCC(=O)NCC#N 1214267970 RCKBOSQKOUTPMG-ZYHUDNBSSA-N 319.340 -0.089 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@@H](NCC(=O)NCC#N)[C@H](C)C1 1214602643 VTRPUZRYBNBNOX-JHJVBQTASA-N 306.366 -0.899 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H](CCC)OC)C[C@H]1C 1215303114 PXBILFUOJUTRIU-MGPQQGTHSA-N 309.410 -0.013 30 20 DBED C=C(C)CCN[C@@H]1CN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C[C@H]1C 1215693440 OJKMSEOWOXPFNW-GRYCIOLGSA-N 308.382 -0.013 30 20 DBED CC(C)[C@H](C)C(=O)N1CCO[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1218709968 YXNAMTRRLQPIMF-MELADBBJSA-N 322.409 -0.170 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(CC/C=C/CC)C[C@@H]1O 1219487111 CYMKTOVTSLKVHG-IHDARNGBSA-N 307.394 -0.357 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN([C@H](C)c2nc(C)no2)C[C@@H]1O 1219600026 ZVHKYYAZSTZJFU-RTXFEEFZSA-N 322.365 -0.360 30 20 DBED N#CCN1CCC(CNC(=O)CCn2cnccc2=O)CC1 1225037373 BKMMFLJVJKCSLD-UHFFFAOYSA-N 303.366 -0.015 30 20 DBED C#CCO[C@@H](C)C(=O)NC1CCN(CC(=O)N2CCC2)CC1 1227299639 WMCIXCVRAUNVOX-ZDUSSCGKSA-N 307.394 -0.162 30 20 DBED C#CCOCCC(=O)NC1CCN(CC(=O)NC(=O)NC)CC1 1227332249 LSZFYLCGZQEFAJ-UHFFFAOYSA-N 324.381 -0.938 30 20 DBED CC#CCN1CCS(=O)(=O)[C@H](CCNC(=O)c2cn[nH]c2)C1 1230425305 IHIGIIUBHKAETQ-CYBMUJFWSA-N 324.406 -0.348 30 20 DBED C=CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)COCCOC 1231304443 TZTWGRIQWOSDKT-CYBMUJFWSA-N 313.398 -0.516 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)c1cccc(O)n1 1231405276 KLADULRIQKCUEY-LBPRGKRZSA-N 316.361 -0.317 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC[C@H]1CN(C)C(=O)CC(=O)NC 1233857150 OUVHDGHQNAFNMO-NEPJUHHUSA-N 310.398 -0.654 30 20 DBED N#Cc1ccc(NCCNC(=O)C(=O)NC[C@@H]2CCOC2)nc1 1256747791 BVASVUNSBBFHJR-LBPRGKRZSA-N 317.349 -0.366 30 20 DBED N#CCOc1cccc(NC(=O)C(=O)NCCOCCO)c1 1318634804 PGTYBBOILNFAOS-UHFFFAOYSA-N 307.306 -0.347 30 20 DBED CC(=O)NCCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N 1320031920 JYUQJCOUADKKRA-UHFFFAOYSA-N 320.353 -0.299 30 20 DBED C=C[C@H](COC)NS(=O)(=O)c1ccc(S(C)(=O)=O)nc1 1322471336 LOVSKHGOJKNSKH-SECBINFHSA-N 320.392 -0.036 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1323584645 HWWKWRMKTBUFKR-OUAUKWLOSA-N 320.411 -0.416 30 20 DBED COC[C@H](CNC(=O)C(=O)Nc1cc(C)n(CCC#N)n1)OC 1323627250 UZCWBZMEHDFGBN-NSHDSACASA-N 323.353 -0.179 30 20 DBED N#CCC1(CNC(=O)C(=O)NCCN2C(=O)CCC2=O)CC1 1324616265 STSIZEXQXYRDTA-UHFFFAOYSA-N 306.322 -0.938 30 20 DBED C#CCCS(=O)(=O)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1327116215 SHMFSJNQAZJORN-CYBMUJFWSA-N 313.379 -0.350 30 20 DBED C=C[C@H](CO)NC(=O)C(=O)Nc1ccc2c(c1)C(=O)N(C)CC2 1327444703 UNCTWJWHDMKTFC-LLVKDONJSA-N 317.345 -0.084 30 20 DBED C#Cc1ccc(C(=O)NN2C(=O)[C@@H]3[C@H]4C=C[C@@H](O4)[C@@H]3C2=O)cn1 1330282621 RMAOWXULIHVOCK-LPWJVIDDSA-N 309.281 -0.354 30 20 DBED C=C[C@H]1CCCCN1C(=O)C(=O)N[C@H]1CCS(=O)(=O)C1 1334808296 OCZGGPLVKPALFH-QWRGUYRKSA-N 300.380 -0.143 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C)c2ncon2)C1=O 1336744909 KKZXKHCZBAYXKU-ZETCQYMHSA-N 307.266 -0.776 30 20 DBED C#CCOCCn1nnnc1N1CCCN(CCC)C(=O)C1 1337491416 PUMZOBWJYXCASE-UHFFFAOYSA-N 306.370 -0.228 30 20 DBED CO[C@@H]1C[C@@H](NC(=O)C(=O)N2CCO[C@@H](C#N)C2)C12CCC2 1345437151 LBLKXVJJMLGULQ-QJPTWQEYSA-N 307.350 -0.189 30 20 DBED C#CC[C@@H]1NC(=O)N([C@@H]2CCN(C3CCOCC3)C2=O)C1=O 1351772403 URMCWUQMHDFJSF-NWDGAFQWSA-N 305.334 -0.290 30 20 DBED C[C@@]1(C#N)CCCN(C(=O)C(=O)N2CCOC[C@@H]2CCO)C1 1353106856 DTFKPJFLGHBMLO-WFASDCNBSA-N 309.366 -0.252 30 20 DBED CNS(=O)(=O)NC1CCN(C(=O)NC[C@H](C)C#N)CC1 1364259089 GEILBHQCPBNHMT-SECBINFHSA-N 303.388 -0.626 30 20 DBED CC[C@@H]1OCC[C@H]1NC(=O)NCCn1cc(C#N)c(O)nc1=O 1364663085 SZQAXOQGDLOWPM-MNOVXSKESA-N 321.337 -0.313 30 20 DBED CNC(=O)C[C@H](C)NC(=O)N(C)CCCc1[nH]nc(N)c1C#N 1365591074 YSAQFBVUYAEALM-VIFPVBQESA-N 321.385 -0.038 30 20 DBED C[C@@H](CNC(=O)[C@H](C)C#N)NC(=O)CCn1cnccc1=O 1373075766 UCHIFYABUPRFOR-MNOVXSKESA-N 305.338 -0.586 30 20 DBED C[C@H](CNC(=O)C(C)(C)S(C)(=O)=O)NC(=O)[C@H](C)C#N 1373127512 SRVJMTJPRCSPCM-RKDXNWHRSA-N 303.384 -0.410 30 20 DBED N#Cc1ccccc1CNC[C@@H](O)CNC(=O)[C@H]1CCC(=O)N1 1374593623 YQOIBFPEALFOGO-ZIAGYGMSSA-N 316.361 -0.596 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1cnn2ccccc12 1376678645 ZFCRKXMOCXADJR-WDEREUQCSA-N 315.333 -0.299 30 20 DBED Cc1cc(CCC(=O)NC[C@@H](O)CNC(=O)[C@H](C)C#N)no1 1389128649 OKDMTVWGLADJBD-BXKDBHETSA-N 308.338 -0.331 30 20 DBED C=C(Cl)CN1CC[C@H](NC(=O)CCNS(C)(=O)=O)C1 1389459951 UCOMXMZSTGHIPG-JTQLQIEISA-N 309.819 -0.131 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)[C@H]2CCc3nncn3C2)CC1 1389870274 IZWFNAVNQHFLNL-QWRGUYRKSA-N 316.365 -0.235 30 20 DBED CCN(CCNC(=O)[C@@H](C)C#N)C(=O)Cn1nc(C)n(C)c1=O 1408790799 SLSBIEWBFUKJTR-JTQLQIEISA-N 322.369 -0.985 30 20 DBED CN(CCNC(=O)c1cc(C#N)c[nH]1)C(=O)c1ccc(O)nn1 1415469698 CZDLRJFPPWAZAR-UHFFFAOYSA-N 314.305 -0.116 30 20 DBED CC[C@@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)[C@H]1COCCO1 1416197037 JPNPREWUROYUOD-WCQYABFASA-N 320.349 -0.074 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(CC(=O)NCC(C)(C)C)C1 1421417339 JZGJOPKSDPGUNE-NSHDSACASA-N 310.398 -0.529 30 20 DBED Cn1nncc1C(=O)NC[C@@H](O)CNCc1cccc(C#N)c1 1422298334 OGFJALBAJKOXAW-ZDUSSCGKSA-N 314.349 -0.433 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](C1CC1)N(C)C(=O)CCNC(N)=O 1424902633 QKCFTZDHFOAORL-KOLCDFICSA-N 309.370 -0.442 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CCN(C)C(=O)C2)C1 1430183654 RZHONUKVFNFFGG-DDHJBXDOSA-N 306.366 -0.222 30 20 DBED CCN(CCC#N)C(=O)CN[C@H](C)CNC(=O)c1ccn(C)n1 1437257619 CXSAQKIDPNCSIT-GFCCVEGCSA-N 320.397 -0.110 30 20 DBED C[C@H](C#N)C(=O)NC1CCC(N(C)C(=O)Cn2ncnn2)CC1 1442545946 GWKIVZZKEMTONW-VOMCLLRMSA-N 319.369 -0.281 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)COc1ccccc1 1458043040 ZMECNLVNGUTFIG-NEPJUHHUSA-N 305.334 -0.182 30 20 DBED C[C@@H](C(=O)NCc1nc([C@H]2CCCO2)n[nH]1)n1cnc(C#N)n1 1469517986 JTKAFIKHMRNTQD-DTWKUNHWSA-N 316.325 -0.003 30 20 DBED C[C@@H](CN(C)C(=O)CCn1ncn(C)c1=O)NC(=O)[C@@H](C)C#N 1487840666 SHMFHFSPNOHQEN-QWRGUYRKSA-N 322.369 -0.905 30 20 DBED CCN(CCC#N)C(=O)CN[C@@H](C)CNC(=O)c1cn(C)nn1 1491444140 FPJZSIGJBSZZTQ-NSHDSACASA-N 321.385 -0.715 30 20 DBED C=C(Cl)CN1CC(O)(CNC(=O)[C@@H]2CN(CC)CCO2)C1 1500980013 AAIZZLRKFOBMFI-LBPRGKRZSA-N 317.817 -0.378 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCCN([C@H](C)C(=O)NC(N)=O)C2)C1 1506854720 DINOKTNNMFYRHY-GHMZBOCLSA-N 321.381 -0.346 30 20 DBED C#CCNC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)CNC(=O)O 1573311695 WSKVCKOXOKASOB-NEPJUHHUSA-N 324.381 -0.780 30 20 DBED N#Cc1cn(C2CN(C(=O)[C@@H]3CC[C@H]3C(=O)O)C2)c(=O)nc1O 1574493071 HRPJWOUSNDGHFH-NXEZZACHSA-N 318.289 -0.685 30 20 DBED N#Cc1nc(N2CCC(CC(N)=O)CC2)cnc1-c1nn[nH]n1 1581878435 LNEYCLKUHPBCPL-UHFFFAOYSA-N 313.325 -0.380 30 20 DBED C#C[C@@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)o1)[C@H]1CCCO1 1588328435 HAVGORTXDBESOD-RKDXNWHRSA-N 323.334 -0.081 30 20 DBED CCCN(CC(=O)NC)c1cnc(-c2nn[nH]n2)c(C#N)n1 1590620248 JTXHQLDBILHSTO-UHFFFAOYSA-N 301.314 -0.509 30 20 DBED Cn1ncnc1CCCNc1cnc(C#N)c(-c2nn[nH]n2)n1 1592606783 JSFPRIPATWEGKA-UHFFFAOYSA-N 311.313 -0.298 30 20 DBED COC[C@]1(C(=O)O)CCN(C(=O)C(=O)N2CCC(C#N)CC2)C1 1593959431 YAFXIGAJAMKONI-HNNXBMFYSA-N 323.349 -0.302 30 20 DBED Cc1cc(NC(=O)C(=O)N(C)CCC(=O)O)n(CCC#N)n1 1594313265 CBQBHZYOBKWXJK-UHFFFAOYSA-N 307.310 -0.023 30 20 DBED N#CC1(CS(=O)(=O)N2CCNC(=O)[C@@H]2CC(=O)O)CCC1 1601058710 XSTCGMYIHFDIPH-VIFPVBQESA-N 315.351 -0.715 30 20 DBED O=C(O)c1cc(S(=O)(=O)NCC#CCO)cc(F)c1F 1602293461 BSRYLIQFACHXIW-UHFFFAOYSA-N 305.258 -0.063 30 20 DBED C=C(CCC(=O)O)C(=O)Nc1nc(C)n(C)c1C(=O)NCCO 1602787550 KKNSITVTUFASCQ-UHFFFAOYSA-N 324.337 -0.190 30 20 DBED C=CC[C@H](C(=O)OC)N1CCN([C@@]2(C(=O)O)CCOC2)CC1 1602836378 OZVWBAUHYDCPLU-DOMZBBRYSA-N 312.366 -0.035 30 20 DBED COC(=O)CN(CC#N)S(=O)(=O)CC1(C(=O)O)CCCC1 1606464276 VAASZEOMWWZSPI-UHFFFAOYSA-N 318.351 -0.040 30 20 DBED N#Cc1ncn(CCNC(=O)c2ccc(-c3nn[nH]n3)nc2)n1 1609501362 QQDVOSPMLGTCIN-UHFFFAOYSA-N 310.281 -0.845 30 20 DBED C#CCOCCC(=O)N[C@@H](C)C1CCN(C(=O)C(N)=O)CC1 1745562109 YJPSTFWQAPCDCH-NSHDSACASA-N 309.366 -0.745 30 20 DBED N#CCNC(=O)CN[C@H]1CCC[C@@H](NC(=O)Cn2cccn2)C1 1752966232 UKMLIHMJSUHWRY-QWHCGFSZSA-N 318.381 -0.460 30 20 DBED CCN(CCNC(=O)c1cccc(=O)n1C)CC(=O)NCC#N 1753088389 GQZGBMAIQFVFRR-UHFFFAOYSA-N 319.365 -0.923 30 20 DBED COCC(=O)N(C)CC(=O)N1CCC[C@@H](CCNCC#N)C1 1753547413 CFZKIGYFBRFKEC-ZDUSSCGKSA-N 310.398 -0.167 30 20 DBED C#CCNCC[C@H]1CCCN(C(=O)CCNC(=O)COC)C1 1753548393 OAJVZFOMRTYMFA-CQSZACIVSA-N 309.410 -0.009 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@@H](C)CNC(=O)c1cccc(O)n1 1753608929 SYBYCGJKKSORPI-VXGBXAGGSA-N 318.377 -0.119 30 20 DBED C#CCNC(=O)CN1CCO[C@H](CNC(=O)[C@@H](C)C(C)C)C1 1753653832 IVTSDYFXCISJJT-UONOGXRCSA-N 309.410 -0.155 30 20 DBED COCC#CCNC[C@@H](C)N(C)C(=O)C[C@H]1CC(=O)NC1=O 1753731221 NOVARVKACFXHQQ-VXGBXAGGSA-N 309.366 -0.875 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CNC(=O)[C@@H]1CCO[C@H]1CC 1754502104 OTURIFRZEUXADO-MJBXVCDLSA-N 307.394 -0.259 30 20 DBED C#CCNC(=O)CN1CC(N(C)C(=O)CC2(COC)CC2)C1 1754574862 GVRAYWAYTXRGLT-UHFFFAOYSA-N 307.394 -0.305 30 20 DBED C[C@H](CC(N)=O)C(=O)N1CCN([C@H]2CCN(CC#N)C2)CC1 1754662644 CXODLAUITGWMKC-OLZOCXBDSA-N 307.398 -0.760 30 20 DBED COCC#CCN1CCC[C@](C)(CNC(=O)[C@H]2CCNC2=O)C1 1754735738 JJMUFEXJLMFGMC-WMLDXEAASA-N 321.421 -0.009 30 20 DBED C#CCNC(=O)CN1CC[C@@](O)(CNC(=O)C(C)(C)C(C)C)C1 1754750902 AOPPSNNDLUJGNH-QGZVFWFLSA-N 323.437 -0.029 30 20 DBED N#CCNC(=O)CN1CCOC[C@@H]1CNC(=O)[C@H]1CC1(F)F 1754966393 UUSCLAHSNDLWTI-VHSXEESVSA-N 316.308 -0.902 30 20 DBED C#CCNCC1(O)CCN(C(=O)[C@@H]2CCCCN2C(N)=O)CC1 1755154861 MDSQTSPYUAMMAK-ZDUSSCGKSA-N 322.409 -0.504 30 20 DBED C[C@@H](CNC(=O)Cc1cncn1C)N(C)CC(=O)NCC#N 1755325444 VZFSGLQHXKPNMP-NSHDSACASA-N 306.370 -0.961 30 20 DBED C=CCNC(=O)CN1CC[C@@]2(NC(=O)CC(N)=O)CCC[C@@H]12 1755694599 ANYUJYSUBFPROH-ABAIWWIYSA-N 308.382 -0.723 30 20 DBED CC#CCNC[C@@H](O)CN(C)C(=O)c1cc(C)c(C(N)=O)cn1 1755788541 VEPQUFSEXCSGNY-GFCCVEGCSA-N 318.377 -0.465 30 20 DBED N#CCSCC(=O)NC1(CCO)CN(C(=O)c2cc[nH]c2)C1 1756076725 JGUCTNSJAAFBAZ-UHFFFAOYSA-N 322.390 -0.035 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCOCCNC(=O)Cc1cncn1C 1756378368 PORJURQVCMEMCE-LBPRGKRZSA-N 321.381 -0.287 30 20 DBED CNC(=O)NCC(=O)N[C@@H](C)CN(C)C(=O)CSCC#N 1756431575 JGLMVUKJJZHQPK-VIFPVBQESA-N 315.399 -0.865 30 20 DBED C#CCOCCC(=O)N(C)C[C@@H](C)NC(=O)c1cnn(C)c1N 1756453738 UPVIZXMACDVIJY-LLVKDONJSA-N 321.381 -0.381 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H](CO)CNC(=O)C=C(C)C 1756502073 FYVLMLOVVAMBHQ-KGLIPLIRSA-N 307.394 -0.357 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H](CO)CNC(=O)c1ncccc1F 1756544706 CRASBGOTZKDXSE-GHMZBOCLSA-N 323.324 -0.534 30 20 DBED C=CCCOCC(=O)N1C[C@H](O)[C@H](NC(=O)c2oncc2C)C1 1757206471 YFDXLHAXKAMSGR-NEPJUHHUSA-N 323.349 -0.123 30 20 DBED C=CCCCC(=O)N[C@@H]1CN(C(=O)c2cnnc(O)c2)C[C@@H]1O 1757207457 YJNWXZIFOFLYEB-NEPJUHHUSA-N 320.349 -0.160 30 20 DBED Cc1nn(CCC#N)c(C)c1CCC(=O)NCC(=O)NCCO 1771627678 LXEUCBZBWBIPSJ-UHFFFAOYSA-N 321.381 -0.429 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COC)C2 1793342685 ZIHZVYAJBXVYLG-XPCVCDNBSA-N 324.377 -0.739 30 20 DBED N#CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CCOC1=O 1793350262 FRNZXAFGDKWUMD-ZSBIGDGJSA-N 320.349 -0.010 30 20 DBED C=CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CC[C@H](N)C(N)=O 1796086177 KYWWRXNPDMZDHV-RNJOBUHISA-N 322.409 -0.207 30 20 DBED CN(CCC#N)C(=O)CCN1CCN(S(C)(=O)=O)CC1 62084106 RFNJRGGVTXWCCW-UHFFFAOYSA-N 302.400 -0.674 30 20 DBED C=CCCO[C@H](C)C(=O)NCCN1CCS(=O)(=O)CC1 119603901 KGPRIFZMTNTYPX-GFCCVEGCSA-N 304.412 -0.186 30 20 DBED C/N=C(/NC[C@H](O)c1ccc(C)o1)NC[C@@H]1CN2CCN1CC2 261967244 MZJDAVQNWNZSPS-KGLIPLIRSA-N 321.425 -0.214 30 20 DBED CCS(=O)(=O)NCCN/C(=N/C)N1CC[C@@]2(CCOC2)C1 261991018 RGNJTXQJFBDGQO-CYBMUJFWSA-N 318.443 -0.387 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H]2CCN(C)C2)C1=O 264716888 XAWQNIPNXMDUDR-JTQLQIEISA-N 308.338 -0.969 30 20 DBED Cc1cccc(NC(=O)C(=O)NCCNS(C)(=O)=O)c1C#N 266514313 ASPVCWGCZMZYMZ-UHFFFAOYSA-N 324.362 -0.529 30 20 DBED N#Cc1ccccc1OCC(=O)NC[C@H]1CC(C(N)=O)=NO1 276163903 AJULCCHIHZBNRG-SNVBAGLBSA-N 302.290 -0.317 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)CCS(=O)(=O)N(C)C)C1=O 281798559 STSXPRRRYAXDJJ-NSHDSACASA-N 317.411 -0.487 30 20 DBED Cc1nc2n(n1)C[C@@H](NS(=O)(=O)N(C)C[C@H](C)C#N)CC2 282792359 XSYOMZRQUGISSD-KOLCDFICSA-N 312.399 -0.173 30 20 DBED C=CCS(=O)(=O)CCNS(=O)(=O)c1c(N)noc1C 289967054 UDZCYYADBFSFGH-UHFFFAOYSA-N 309.369 -0.556 30 20 DBED Cn1c(N2CC[C@@H](O)CC(C)(C)C2)c(C#N)c(=O)n(C)c1=O 296142223 XHTQKWYTLROJHM-SNVBAGLBSA-N 306.366 -0.057 30 20 DBED CCC(=O)N1CC[C@H](/N=C(/O)N2CC(=O)N(CCOC)C2)C1 328661268 ACYIGRKUIFJQMA-NSHDSACASA-N 312.370 -0.341 30 20 DBED CC(C)[C@@](C)(C#N)NC(=O)CN1CCC[C@H](S(N)(=O)=O)C1 330647445 JJOBUKNFDJOCBE-WCQYABFASA-N 316.427 -0.206 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)NCC1(S(C)(=O)=O)CC1 331773979 QQYXLFLMPLPIGJ-VIFPVBQESA-N 309.413 -0.511 30 20 DBED CS[C@H](CO)[C@H](C)NS(=O)(=O)N1CCO[C@H](C#N)C1 336937037 GPNBKPBEHZJTIB-IVZWLZJFSA-N 309.413 -0.842 30 20 DBED COC(=O)C[C@H]1CN(S(=O)(=O)N(C)[C@@H](C)CC#N)CCO1 337902922 RTQKWHTXDNMSGT-QWRGUYRKSA-N 319.383 -0.271 30 20 DBED C=C(C)CN1CCC(NC(=O)C(=O)NCC(=O)N(C)C)CC1 340471751 YTHJUOWGCOTBHL-UHFFFAOYSA-N 310.398 -0.653 30 20 DBED CN(C)CCN1C[C@H](C(=O)N2CCSC[C@H]2C#N)CC1=O 342206234 ADJJXGSDCBITJS-VXGBXAGGSA-N 310.423 -0.136 30 20 DBED C=C[C@@H](CO)NC(=O)C(=O)Nc1ccc2c(c1)oc(=O)n2C 354689791 KWMJHNCNGSVHPA-QMMMGPOBSA-N 305.290 -0.267 30 20 DBED CC(C)n1cc(C#N)c(NC(=O)C(=O)NC[C@](C)(O)C2CC2)n1 359182666 DQOMRWKTPSBFIT-HNNXBMFYSA-N 319.365 0.551 30 20 DBED Cn1nnnc1N1CCC(NC(=O)c2cnccc2C#N)CC1 362744094 DOPOBJZXUXXKII-UHFFFAOYSA-N 312.337 -0.124 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCNC(=O)C[C@H]1C 376569926 IGVKANZXLSQRKQ-GHMZBOCLSA-N 302.400 -0.077 30 20 DBED Cc1ccc(C(=O)NCCCO)cc1S(=O)(=O)NCC#N 432691204 VRRNVYBJBGRAPO-UHFFFAOYSA-N 311.363 -0.091 30 20 DBED C=C(C)COCCNC(=O)NCc1cn(CC(=O)OC)nn1 433687620 FRZNMSARZKYCQM-UHFFFAOYSA-N 311.342 -0.157 30 20 DBED CNS(=O)(=O)NCC(=O)N[C@H](C#N)c1ccccc1F 448897769 SWAXEWVERARPQK-SNVBAGLBSA-N 300.315 -0.440 30 20 DBED CC(C)N1CC[C@H](N(C)S(=O)(=O)N2CCO[C@H](C#N)C2)C1 452098757 BJDULZMGBXRNGN-QWHCGFSZSA-N 316.427 -0.130 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)C[C@H]2CCOC2)CC1 491740416 HMZCHZNWOMHGEB-CQSZACIVSA-N 307.394 -0.303 30 20 DBED C#CCNC(=O)C1CCN([C@@H](C)C(=O)NC(=O)NC2CC2)CC1 491758584 IGQRNKQQZDUBIA-NSHDSACASA-N 320.393 -0.176 30 20 DBED C#CCNC(=O)CCNC1CCN(S(=O)(=O)CC)CC1 491807833 UUIWFAJCWMUWGC-UHFFFAOYSA-N 301.412 -0.470 30 20 DBED CN(CCC#N)S(=O)(=O)N[C@H](CCCC(=O)O)C(=O)O 515199353 KBTZOYRVHJEBEW-MRVPVSSYSA-N 307.328 -0.626 30 20 DBED N#CCCC1CCN(C(=O)C(=O)N2CCO[C@H](CN)C2)CC1 566233629 DZCAYJPQECSRRB-CYBMUJFWSA-N 308.382 -0.285 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N[C@H](CCCC(=O)O)C(=O)O 583087703 FHLJBBBGJBVZQC-DTWKUNHWSA-N 321.355 -0.380 30 20 DBED COC(=O)[C@@H]1C[C@H](O)CN(S(=O)(=O)N(C)[C@@H](C)CC#N)C1 592111810 CVOQXOOADKHBMB-AXFHLTTASA-N 319.383 -0.679 30 20 DBED CN(CCCc1[nH]nc(N)c1C#N)CC(=O)Nc1cnccn1 595396861 SUQJPMSYNWFNLN-UHFFFAOYSA-N 314.353 0.157 30 20 DBED C=CCCCN(C)C(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 595995669 WGPIPRYNOMGYAX-NEPJUHHUSA-N 308.382 -0.819 30 20 DBED N#Cc1ccc(CCNC(=O)N2CCO[C@H](C(N)=O)C2)cc1 596673202 NVAVFRKZFMFJIC-ZDUSSCGKSA-N 302.334 -0.004 30 20 DBED Cc1cccc(NC(=O)C(=O)N2C[C@@H](CO)[C@H](CO)C2)c1C#N 600019000 REBNQAXIGQPJND-RYUDHWBXSA-N 317.345 -0.136 30 20 DBED C[C@@H]1C[C@@H](CNC(=O)C(=O)N2CCN(CCC#N)CC2)[C@@H](C)O1 602277859 XWXQPYNLZOYCQB-MCIONIFRSA-N 322.409 -0.026 30 20 DBED Cn1c(NC2CCN(CC#N)CC2)c(C#N)c(=O)n(C)c1=O 609334270 UMBULLDFEHFZGJ-UHFFFAOYSA-N 302.338 -0.644 30 20 DBED CCOC(=O)[C@H](CO)NS(=O)(=O)c1ccc(C#N)cc1F 612631995 YPYLNRAOFZTBHJ-JTQLQIEISA-N 316.310 -0.100 30 20 DBED C=CCC[C@H](CO)NS(=O)(=O)CCCN1CCN(C)CC1 632425463 SVTXEMJQJCMHGK-CQSZACIVSA-N 319.471 -0.130 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)c1c(C)nn(C)c1OC 732850424 KANOIKSIEXIQGD-UHFFFAOYSA-N 310.310 -0.094 30 20 DBED C#CCNC(=O)CN1CCN(S(=O)(=O)C[C@@H](C)CC)CC1 733316246 KUXYATNUZWSZCO-ZDUSSCGKSA-N 315.439 -0.271 30 20 DBED CCCNC(=O)CCC(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[nH]1 736483812 PYMYBBJZPIYDLH-UHFFFAOYSA-N 317.313 -0.294 30 20 DBED COC(=O)CN(CC(=O)O)S(=O)(=O)c1cccc(C#N)c1 737619952 PQJRNJJJADMJEW-UHFFFAOYSA-N 312.303 -0.193 30 20 DBED CC(C)OCCS(=O)(=O)NCC(=O)N=C1C[C@H](C)ON1 765370034 UBBNWWSXYFPBGI-VIFPVBQESA-N 307.372 -0.431 30 20 DBED C#C[C@H](NC(=O)CNS(=O)(=O)CCCOC)[C@H]1CCCO1 772889843 IWTFDEHZWSGVPV-NWDGAFQWSA-N 318.395 -0.761 30 20 DBED C#CCNC(=O)[C@@H](C)OC(=O)CCn1c(C)cc(O)cc1=O 782293269 AVDLREUAYJBIHI-LLVKDONJSA-N 306.318 -0.066 30 20 DBED C#CCOCCNC(=O)C(=O)Nc1ccc(-n2nccn2)cc1 785153626 YCEWMCOFMGOLNK-UHFFFAOYSA-N 313.317 -0.028 30 20 DBED C=C(C)[C@@H]1OCC[C@H]1CNC(=S)NCCNS(C)(=O)=O 797792005 JBYXICYGLLURTL-QWRGUYRKSA-N 321.468 -0.019 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)OCCCN2CCCC2)C1=O 800159287 WWWUOCFWBCKHIY-UHFFFAOYSA-N 323.349 -0.008 30 20 DBED C=C[C@@H](O)C(=O)OCCN1C(=O)c2ccccc2S1(=O)=O 814543871 CPWHSEGGDDBPHW-SNVBAGLBSA-N 311.315 -0.079 30 20 DBED CN(C)CCCNC(=S)NN=C1CCN(CCO)CC1 819807639 JBLRFUDBKRKBJS-UHFFFAOYSA-N 301.460 -0.154 30 20 DBED C#CC[C@H](CO)NC(=O)[C@@H](C)NS(=O)(=O)c1cccs1 820059445 FPOUQHPPITZTPV-NXEZZACHSA-N 316.404 -0.085 30 20 DBED C[S@](=O)CCN1CCN(C(=O)[C@@](C)(C#N)CC(=O)O)CC1 820899663 AITNMYVLSGBFMT-ASSNKEHSSA-N 315.395 -0.486 30 20 DBED CC#CC[C@@H](CO)NC(=O)NC[C@@H]1COC2(CCOCC2)O1 826857052 OYICHZDEQRYJQL-QWHCGFSZSA-N 312.366 -0.018 30 20 DBED Cc1nc2ncnn2c(C)c1CCC(=O)N[C@@H]1CNC[C@H]1C#N 834511552 MGJGDKNNDKWTDD-DGCLKSJQSA-N 313.365 -0.098 30 20 DBED C#CC[C@H](NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1)C(=O)OC 837941101 CPOKBSBMFAYWQI-RYUDHWBXSA-N 309.366 -0.922 30 20 DBED C[C@@H](C[C@@H](C)N)NC(=O)C(=O)NCCNc1ccc(C#N)cn1 843264767 OSBUCJFWJHJDEQ-MNOVXSKESA-N 318.381 -0.277 30 20 DBED C=C[C@H](C)ONC(=O)N1CCN(S(=O)(=O)N(C)C)CC1 845638627 JDJUBSHXGZTXLT-JTQLQIEISA-N 306.388 -0.374 30 20 DBED C/N=C(/NCCN1CCOCC1)NC[C@H](CO)[C@H]1CCOC1 849025048 KWQFISKQHQJAEP-UONOGXRCSA-N 314.430 -0.871 30 20 DBED C#CCN1CCN(C(=O)CN2CC[C@@H](N3CCOC3=O)C2)CC1 852432844 MFDTZXVXUNXIAD-CQSZACIVSA-N 320.393 -0.710 30 20 DBED C#CCOCCOC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 853913282 KGPJBEHUHIGEBG-AWEZNQCLSA-N 324.377 -0.640 30 20 DBED O=C(OCC(=O)N1CCNC1=O)c1cccc(C#CCO)c1 860078342 GYJHLRJNIUZVBY-UHFFFAOYSA-N 302.286 -0.261 30 20 DBED C#CCC[C@@H](O)CNC(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1 861519048 DTYGQBDUBAPASC-DGCLKSJQSA-N 304.350 -0.337 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N1CC[C@](C)(C(=O)OC)C1 875597499 DPGNTRDCVSFNEJ-LRDDRELGSA-N 324.377 -0.057 30 20 DBED CC[C@@H](C#N)N(C)C(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C 892578379 LFMIBDWYTUNZDA-VIFPVBQESA-N 317.349 -0.050 30 20 DBED CS(=O)(=O)NC1CC(NC(=O)c2cccc(C#CCO)c2)C1 908037921 JRCGFLFURCBVQJ-UHFFFAOYSA-N 322.386 -0.160 30 20 DBED CCN(C[C@@H](C)C#N)C(=O)COC(=O)[C@@H]1CCS(=O)(=O)C1 919016531 UZRLMLVSUVAAJH-WDEREUQCSA-N 316.379 -0.028 30 20 DBED CCN(CCC#N)C(=O)COC(=O)[C@@H](C)N1C(=O)CCC1=O 919258841 FBTLRMVBSRUUSQ-SNVBAGLBSA-N 309.322 -0.171 30 20 DBED CCN(CC)CC(=O)N1CCN(C(=O)NCC#CCO)CC1 923780684 TXEMMVQDDJBREG-UHFFFAOYSA-N 310.398 -0.822 30 20 DBED COc1cc(C(=O)N[C@H]2CCN(C(=O)[C@@H](C)C#N)C2)ncn1 938003331 UQFXGGQNDACYFF-UWVGGRQHSA-N 303.322 -0.024 30 20 DBED CC[C@H](C(N)=O)N1CC(N2CCN(C(=O)[C@H](C)C#N)CC2)C1 941348597 PTMQKZAKLMQWMS-DGCLKSJQSA-N 307.398 -0.762 30 20 DBED C#Cc1cncc(C(=O)N2CC[C@@H](NC(=O)Cc3nc[nH]n3)C2)c1 942469694 GNUOWSJPXYMHDR-CYBMUJFWSA-N 324.344 -0.246 30 20 DBED C=CCN1CC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)[C@@H](C)C1 945089327 FZTSXLLLFHAPMW-WDEREUQCSA-N 306.370 -0.610 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(NC(=O)[C@@H]2CCCNC2=O)CC1 948099529 VCRPKXBYSNEILW-CMPLNLGQSA-N 306.366 -0.221 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)[C@@H]1CCC(=O)N1)CCO2 949233357 MFIPXWZXSULBSH-ZDUSSCGKSA-N 305.378 -0.408 30 20 DBED O=C1N[C@H](C(=O)N[C@@H]2CCCN(C(=O)C#CC3CC3)C2)CO1 950760151 YUEFCXYKTOWILK-NEPJUHHUSA-N 305.334 -0.385 30 20 DBED CN(C(=O)[C@H]1CCC(=O)N1)C1CN(C(=O)c2c[nH]c(C#N)c2)C1 953891622 KAZCVGNDCFDWCT-GFCCVEGCSA-N 315.333 -0.552 30 20 DBED C#CCCN1C[C@H](O)[C@H](CNC(=O)c2c(C)nnn2CC)C1 958135885 VGPYPABQRVQMJM-OLZOCXBDSA-N 305.382 -0.348 30 20 DBED C#CCCN1C[C@H](O)[C@H](CNC(=O)c2ccc(=O)n(C)c2)C1 958203459 QPJKPENKCKTMOY-KGLIPLIRSA-N 303.362 -0.569 30 20 DBED CC#CCN1C[C@H](O)[C@H](CNC(=O)c2cc(OC)n(C)n2)C1 958239301 MWCIGVXZKYUGNY-YPMHNXCESA-N 306.366 -0.526 30 20 DBED C=CCCN1C[C@H](O)[C@H](CNC(=O)c2ccc(C(N)=O)[nH]2)C1 958408575 KDHYUOCVTNGMNK-MFKMUULPSA-N 306.366 -0.288 30 20 DBED C=CCN1CC[C@H](N(C)C[C@@H]2CCCN2C(=O)CC(N)=O)C1=O 960496718 GJLCUVPWUSRNSP-STQMWFEESA-N 322.409 -0.429 30 20 DBED C=CCN1CC[C@H](N2C[C@@H]3C(NC(=O)c4cnn[nH]4)[C@H]3C2)C1=O 960742914 NGPZVOWECJWODS-NHCYSSNCSA-N 316.365 -0.748 30 20 DBED C=CCCN1C[C@@H]2C(NC(=O)Cn3ccc(O)nc3=O)[C@H]2C1 960867584 SRHARYXVRTYIGL-QWRGUYRKSA-N 304.350 -0.429 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CN(C(=O)[C@H]3CN(C)CCO3)C[C@H]2C1 961243436 CEWNHOWPWFIOMP-IGQOVBAYSA-N 320.393 -0.607 30 20 DBED O=C(NC[C@H]1COCCN1C(=O)C#CC1CC1)c1cnns1 964114634 UZWQPDPTPNIIAK-NSHDSACASA-N 320.374 -0.091 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@H](NC(=O)[C@@]23COC[C@@H]2C3)C1 965892668 JQAPTNQODUMREV-BUWBCJGYSA-N 308.378 -0.077 30 20 DBED C[C@@H](C#N)C(=O)N1CC(N2CCN(C(=O)c3cocn3)CC2)C1 967191552 NYMQEAPCKVLFEE-NSHDSACASA-N 317.349 -0.197 30 20 DBED CCN(C(=O)[C@@H]1CC[C@H]1C(N)=O)C1CN(C(=O)C#CC2CC2)C1 968207116 UMEQPDXQNVWWRV-ZIAGYGMSSA-N 317.389 -0.029 30 20 DBED C[C@H]1CCN(CC#N)C[C@@H]1NC(=O)CN1C(=O)NC(=O)C1(C)C 968508525 APKJABFDUSKNHH-QWRGUYRKSA-N 321.381 -0.333 30 20 DBED C#CCN1C[C@@H]2C(CNC(=O)c3coc(S(N)(=O)=O)c3)[C@H]2C1 978344811 AFNIWWIVWVMLDM-VXGBXAGGSA-N 323.374 -0.532 30 20 DBED C=CCN1C[C@@H]2CC[C@@H](NC(=O)CN3C(=O)CNC3=O)C[C@H]2C1 980247624 RVSPSZULAOWVMZ-RWMBFGLXSA-N 320.393 -0.059 30 20 DBED C#CCN1CCC(C(=O)NC[C@H]2CCN(C(=O)COC)C2)CC1 982350066 BSFRTXJUCQHLAB-CQSZACIVSA-N 321.421 -0.057 30 20 DBED N#Cc1cc(C(=O)NC2CN(C(=O)C[C@H]3CCC(=O)N3)C2)c[nH]1 990930439 GNJFTHVERMEGNL-SNVBAGLBSA-N 315.333 -0.504 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CN(C(=O)c2cnnn2C)C1 992027563 QVPMHIHWUARMDB-AAEUAGOBSA-N 319.365 -0.263 30 20 DBED O=C(CN1CCCNC1=O)NC1CN(C(=O)C#CC2CC2)C1 995220464 AZUOICRQSHOQQS-UHFFFAOYSA-N 304.350 -0.858 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCC(N[C@H](CC)C(N)=O)CC1 996683445 CTBPFKUDOUBECJ-CABCVRRESA-N 320.437 -0.072 30 20 DBED C#Cc1cncc(C(=O)N2CC(NC(=O)Cc3ncc[nH]3)C2)c1 998389136 LTKCEHKTAKAJCA-UHFFFAOYSA-N 309.329 -0.031 30 20 DBED C#CCN1CC[C@H](n2cc(CNC(=O)[C@H]3CCCN3C)nn2)C1 999963491 QZKMDHVBKMOOBT-LSDHHAIUSA-N 316.409 -0.132 30 20 DBED C[C@H](C#N)C(=O)N1CC(CNC(=O)c2nc3ncccn3n2)C1 1003803056 MXLXQNISBYHKIH-SECBINFHSA-N 313.321 -0.528 30 20 DBED Cn1nc(C(=O)NCC2CN(C(=O)C#CC3CC3)C2)ccc1=O 1004567152 NNEZWBAXLJQFHC-UHFFFAOYSA-N 314.345 -0.618 30 20 DBED C#Cc1cncc(C(=O)N2CCN(C(=O)Cc3nc[nH]n3)CC2)c1 1012520236 PWNNBFQLXFGKQM-UHFFFAOYSA-N 324.344 -0.292 30 20 DBED C=CCOc1cccnc1C(=O)N[C@H]1CCN(CC(N)=O)C1 1015969894 YIPNKCQYYHSGRF-NSHDSACASA-N 304.350 -0.064 30 20 DBED C[C@H]1[C@@H](NC(=O)c2nnc(O)nc2O)CCN1C(=O)[C@H](C)C#N 1020536125 ZRLADDYGACSNDM-CSMHCCOUSA-N 320.309 -0.838 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CN(C(=O)c3cc[nH]c3)C[C@H]2O)c1 1023331414 MMKSWKREEKHUQI-CHWSQXEVSA-N 313.317 -0.170 30 20 DBED CCN(C(=O)[C@@H]1CC(=O)N(CCOC)C1)[C@@H]1CCN(CC#N)C1 1033855230 YXSUPNYNMVNOPX-ZIAGYGMSSA-N 322.409 -0.072 30 20 DBED C=CCN1CCO[C@@H](CNC(=O)[C@@H]2CCS(=O)(=O)C2)C1 1035437791 IOSFHZSYQOVCDQ-NEPJUHHUSA-N 302.396 -0.576 30 20 DBED C#CCN1CCO[C@H](CNC(=O)[C@@H]2CCCc3nn[nH]c32)C1 1035486442 BFZRBMLMWLUSMW-VXGBXAGGSA-N 303.366 -0.325 30 20 DBED Cn1c(C(=O)NC[C@H]2CCN2CC#N)c2n(c1=O)CCCC2 1038713611 XYUJPMZJOMOWKM-LLVKDONJSA-N 303.366 -0.149 30 20 DBED C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cn(CC(N)=O)nn1 1039474740 YAFTZZLQPDVUPD-NEPJUHHUSA-N 318.381 -0.372 30 20 DBED Cn1nc(C(=O)N2C[C@@H]3CCC[C@H](C2)N3CC#N)ccc1=O 1039994618 BLKKUIYTVSAHMS-TXEJJXNPSA-N 301.350 -0.017 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)c2ccc(OC)nn2)C1 1041959972 DUSJVIIHVSYADO-UHFFFAOYSA-N 320.349 -0.246 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(O)(CNC(=O)c2cnc(C)[nH]2)C1 1042078818 NFEIRNUPTKYYFW-CQSZACIVSA-N 322.365 -0.652 30 20 DBED C=C(C)C[C@H](C)C(=O)N1CC(O)(CNC(=O)c2cn(C)nn2)C1 1042885045 GGLDVXIHRSWJCN-NSHDSACASA-N 321.381 -0.280 30 20 DBED COCCOCCC(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042964841 NVRHRSLXXXAJLV-UHFFFAOYSA-N 324.377 -0.858 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)c2coc(C)n2)C1 1043040674 VUTGKMDCEDKRTP-SNVBAGLBSA-N 321.333 -0.676 30 20 DBED C#CCCCCCC(=O)NCC1(O)CN(C(=O)CNC(C)=O)C1 1044463910 ISGPIJXOGAUEOK-UHFFFAOYSA-N 323.393 -0.604 30 20 DBED C=C[C@@H](C)[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2cnn[nH]2)C1 1044985833 NDYBZKOELNSKEV-NXEZZACHSA-N 307.354 -0.434 30 20 DBED COC[C@@H](C)CC(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1045626719 NICIMQPDYDQZFC-LBPRGKRZSA-N 308.378 -0.238 30 20 DBED Cc1c(C(=O)N2CCN([C@H]3CCN(CC#N)C3)CC2)nnn1C 1046017704 RIIGLRFRPVSZBX-ZDUSSCGKSA-N 317.397 -0.521 30 20 DBED C=CCN1CC[C@H](N2CCN(C(=O)c3cnn(C)n3)CC2)C1 1046069847 LSSDEKLYBUYPMH-ZDUSSCGKSA-N 304.398 -0.167 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCNC(=O)CC2)C1 1047470120 JFEFREOAIUFHQL-RDBSUJKOSA-N 307.394 -0.571 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CC(=O)NC)C1 1048733042 COSKIAPBZYYOLK-QWRGUYRKSA-N 311.382 -0.635 30 20 DBED C#CCOCCC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CC23CC3)C[C@@H]1O 1048847394 ITLZKZBEYWYFRR-IHRRRGAJSA-N 320.389 -0.144 30 20 DBED C=CCO[C@@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cnn[nH]2)C1 1049061333 KPQVRJKXLMYSPH-DLOVCJGASA-N 323.353 -0.961 30 20 DBED C#CCCN1C[C@H]2CN(C(=O)[C@H]3COCCN3C(C)=O)C[C@H]2C1 1049223285 MRUZRPHLAHEJMB-OWCLPIDISA-N 319.405 -0.353 30 20 DBED C#CCOCCC(=O)N[C@H](C)[C@H]1CCN(C(=O)CC(N)=O)C1 1050351203 WNQQIJOIPZKLEG-NEPJUHHUSA-N 309.366 -0.745 30 20 DBED C[C@H](NC(=O)CC(N)=O)[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 1050497495 BQFOTYLBITWXAV-VHSXEESVSA-N 317.349 -0.271 30 20 DBED C#CCCCC(=O)N1CC[C@@H]([C@@H](C)NC(=O)Cn2cnnn2)C1 1050580914 MLUCNUMZCFMACP-CHWSQXEVSA-N 318.381 -0.170 30 20 DBED C[C@@H](NC(=O)CNC(N)=O)[C@@H]1CCN(C(=O)C#CC2CC2)C1 1050666965 UNVKDHRYYARGIL-ZYHUDNBSSA-N 306.366 -0.579 30 20 DBED C[C@@H]1[C@@H](NC(=O)Cn2nccn2)CCN1c1cnc(C#N)cn1 1050667196 FPPKHMQGSCKZNB-PWSUYJOCSA-N 312.337 -0.277 30 20 DBED N#CCN1CCOC[C@H]1CNC(=O)[C@H]1CCc2nc[nH]c2C1 1051199676 HMGFIXQJDFWAOB-NWDGAFQWSA-N 303.366 -0.145 30 20 DBED COCc1noc(CNC[C@H]2CN(C(=O)[C@H](C)C#N)CCO2)n1 1051494248 GKVKTHNCNZXQOF-MNOVXSKESA-N 323.353 -0.307 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)CNC(N)=O)C[C@H]1C 1051935735 RRAVGYQAGFXXLA-NEPJUHHUSA-N 308.382 -0.475 30 20 DBED C=CCN1CCN([C@H]2CCN(C(=O)c3ncn(C)n3)C2)CC1 1052023865 ZDCWFFABNUGFCX-ZDUSSCGKSA-N 304.398 -0.167 30 20 DBED N#CCN1CCN([C@@H]2CCN(C(=O)[C@]3(F)CCOC3)C2)CC1 1052070647 KPMNJNPEIPNUTQ-HIFRSBDPSA-N 310.373 -0.143 30 20 DBED N#Cc1c[nH]ccc1=NC1CC(CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 1052089733 ZTVFJCFEMBSUSA-BVIDSFGJSA-N 313.361 -0.197 30 20 DBED COC(=O)NCC(=O)NC[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1C 1052547672 IIAPAGSTAUMTQI-YPMHNXCESA-N 321.377 -0.034 30 20 DBED C#CCN1CCC[C@H](NC(=O)Cn2nc(C)n(C)c2=O)CC1 1052900076 DLAVTQUCFUFVKV-ZDUSSCGKSA-N 305.382 -0.506 30 20 DBED C#CCN1CC2(C1)CN(C(=O)Cn1nc(C)ccc1=O)CCO2 1053513995 KJRGMJJEZZAUNE-UHFFFAOYSA-N 316.361 -0.902 30 20 DBED C#CCCN1CC2(CC[C@@H](CNC(=O)[C@@H]3COCCO3)O2)C1 1053578201 AVWCMDAFVJOUMQ-KBPBESRZSA-N 308.378 -0.225 30 20 DBED C=CCN[C@H]1CN(C(=O)c2nc(C)n(-c3nc[nH]n3)n2)C[C@H]1C 1054955880 ZVZISZCQGNPHPA-KOLCDFICSA-N 316.369 -0.070 30 20 DBED C=CCCC(=O)N1CCC[C@@](CO)(NC(=O)c2cnn(C)n2)C1 1056010650 BUOKOFAKPJQVSV-OAHLLOKOSA-N 321.381 -0.135 30 20 DBED CC(=O)N(C)CC(=O)N1CCC[C@](CO)(NC(=O)[C@H](C)C#N)C1 1056093837 OCXOQJSBCZSNTC-ABAIWWIYSA-N 324.381 -0.906 30 20 DBED C=C[C@@](C)(O)CC(=O)N(CCO)CCNC(=O)c1cocn1 1057449689 GELYPZRKOCWUAY-CQSZACIVSA-N 311.338 -0.448 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)c1ccnn1C 1057517290 OOTGDFAQKBMZOX-UHFFFAOYSA-N 306.366 -0.370 30 20 DBED C#CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)c1ncccn1 1057584107 FEWKVGZYRMNEFD-LBPRGKRZSA-N 320.349 -0.934 30 20 DBED N#Cc1ccc(N2CCC(NC(=O)Cn3ncnn3)CC2)nc1 1057903007 NDAGXBNSWZIFAV-UHFFFAOYSA-N 312.337 -0.275 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)[C@@H](CC)N(C)C 1057973976 GDEHGMMFZZJTBL-CYBMUJFWSA-N 315.414 -0.534 30 20 DBED Cc1nsc(N2CC[C@@H](NC(=O)Cn3cnnn3)C2)c1C#N 1058308319 NVORDADVVLFRLC-SECBINFHSA-N 318.366 -0.295 30 20 DBED N#Cc1cccnc1N1CC[C@@H](NC(=O)[C@@H]2COC(=O)N2)C1 1058350060 CLKOEHFWMOCQOE-MNOVXSKESA-N 301.306 -0.243 30 20 DBED C#CCO[C@H](C)C(=O)NCC[C@@H]1CCN(C(=O)CC(=O)NC)C1 1059526281 ODPGAYBYLKQTQW-CHWSQXEVSA-N 323.393 -0.484 30 20 DBED C[C@H](C#N)C(=O)NCC[C@@H]1CCN(C(=O)c2cnnn2C)C1 1059572948 XVSFMQUXHIKSII-GHMZBOCLSA-N 304.354 -0.057 30 20 DBED C[C@H](C#N)C(=O)NCC[C@H]1CCN(C(=O)c2cnnn2C)C1 1059572949 XVSFMQUXHIKSII-MNOVXSKESA-N 304.354 -0.057 30 20 DBED CN1CCOC[C@@H]1C(=O)N[C@H]1C[C@@H](N=c2cc[nH]c(C#N)n2)C1 1059597758 BWLLRJJGKAUVBP-GRYCIOLGSA-N 316.365 -0.840 30 20 DBED Cn1cc(C(=O)NC[C@@H]2CCCN2c2ccnc(C#N)n2)nn1 1061348237 CUGFMVWDLBOJKW-JTQLQIEISA-N 312.337 -0.124 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1COCCN1C(=O)[C@@H]1CCOC1 1061569844 MZQFGCYNHLFFNP-ZIAGYGMSSA-N 306.362 -0.220 30 20 DBED C#CCCCC(=O)N1CCOC[C@H]1CNC(=O)[C@H](C)CC(N)=O 1061749599 JCLSMXAEQPWUBS-CHWSQXEVSA-N 323.393 -0.355 30 20 DBED N#Cc1nccc(N2CCO[C@H](CNC(=O)[C@H]3CCCO3)C2)n1 1063605151 CFULSHOJGWNPTO-VXGBXAGGSA-N 317.349 -0.151 30 20 DBED C=CCCC(=O)N1CCO[C@@H](CNC(=O)[C@H](C)NC(N)=O)C1 1064955366 GOBDGIPVRIOBNY-QWRGUYRKSA-N 312.370 -0.647 30 20 DBED C=CCCCC(=O)N1CCO[C@@H](CNC(=O)[C@H]2CCC(=O)N2)C1 1065544556 VQGKOIVCVZKLQD-QWHCGFSZSA-N 323.393 -0.035 30 20 DBED C=CCCCC(=O)N1CCO[C@H](CNC(=O)Cn2ncnn2)C1 1065545011 GCJSWKWVGSJGMY-GFCCVEGCSA-N 322.369 -0.627 30 20 DBED CN(CCCN(C)C(=O)c1cc(C#N)c[nH]1)C(=O)CNC(N)=O 1066768900 JCWWPVNOSIJBPM-UHFFFAOYSA-N 320.353 -0.525 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)[C@H]4CCNC(=O)C4)C[C@@]3(C1)O2 1070785657 YYQVGTZKFBNESB-ZOMKSWQUSA-N 317.389 -0.553 30 20 DBED N#CCN1C[C@H]2C[C@@H]3CN(C(=O)C[C@H]4CCNC4=O)C[C@@]3(C1)O2 1070807985 OOXAFAVLMCMHAB-BRXULGCHSA-N 318.377 -0.662 30 20 DBED N#CCN1C[C@@H]2OC(=O)N([C@@H]3CCN(C(=O)C(F)F)C3)[C@@H]2C1 1070899130 NXUSWVMBOLANQV-BBBLOLIVSA-N 314.292 -0.119 30 20 DBED C[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@@]2(CCN(CC#N)C2)O1 1071164867 UBNWERNNWFXECC-RISCZKNCSA-N 304.354 -0.356 30 20 DBED C[C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@]2(CCN(CC#N)C2)O1 1071179007 ZFGFISPEIQPXDF-IAQYHMDHSA-N 308.382 -0.287 30 20 DBED C=CCOCC(=O)N1C[C@H](C)[C@H](NC(=O)C(=O)NCC2CC2)C1 1071808308 GOFOFMTYCGKTKG-WCQYABFASA-N 323.393 -0.322 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2CN(CCCO)CCCO2)nn1 1073807621 UVKXSLDRTAWCRS-ZDUSSCGKSA-N 323.397 -0.333 30 20 DBED C[C@@H]1CN(C(=O)Cn2cnnn2)CC[C@H]1NC(=O)C#CC1CC1 1073945730 IULBQPORTBLMGR-DGCLKSJQSA-N 316.365 -0.560 30 20 DBED N#CCN1CCO[C@H]2CCN(C(=O)c3coc(C(N)=O)c3)C[C@@H]21 1074302596 SYZMPDIUDQTYGZ-RYUDHWBXSA-N 318.333 -0.183 30 20 DBED O=C(C#CC1CC1)NCC1(O)CCN(C(=O)c2cnn[nH]2)CC1 1074637787 MCXJIQQVZKVPCP-UHFFFAOYSA-N 317.349 -0.699 30 20 DBED C=CCOCC(=O)N1CC[C@@H](NC(=O)CNC(C)=O)C[C@@H]1C 1074774180 WATPQASNXLQCHV-WCQYABFASA-N 311.382 -0.179 30 20 DBED CC#CCN1C[C@@H]2CCN(C(=O)CC3CS(=O)(=O)C3)[C@@H]2C1 1075970227 OYOCGKYTLGYBCX-UONOGXRCSA-N 310.419 -0.023 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H](C)CCNC(=O)c1cnn(C)c1N 1076239734 SQOIEDHWVCPFKY-WDEREUQCSA-N 321.381 -0.335 30 20 DBED C=CCO[C@@H](C)C(=O)NCC[C@H](C)NC(=O)C1(C(N)=O)CC1 1077068366 ZVYXVMHFRUZXMM-QWRGUYRKSA-N 311.382 -0.146 30 20 DBED C#CCN[C@H]1C[C@H](NC(=O)CN2C(=O)CCC2=O)C12CCC2 1078804311 UFUSDZKFUFZZRV-RYUDHWBXSA-N 303.362 -0.214 30 20 DBED CN1C(=O)CN(CC(=O)N2C[C@H]3CC[C@H]2[C@@H](NCC#N)C3)C1=O 1079087064 HNGMBCZQGGMFGF-SRVKXCTJSA-N 319.365 -0.627 30 20 DBED C#CCOCCC(=O)N1CC(N(CC)C(=O)C(C)(C)C(N)=O)C1 1079951197 ZQXDRDQVJLSGKB-UHFFFAOYSA-N 323.393 -0.403 30 20 DBED C=CCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 1079981379 PNYRMRPYFHRFGK-UHTWSYAYSA-N 323.393 -0.242 30 20 DBED C#CCCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CN(C)C(C)=O)C1 1081289937 QWDLTXFKSZKUCS-UONOGXRCSA-N 323.393 -0.796 30 20 DBED C#CCCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cn[nH]c2)C1 1081295774 VCLAEXRKVPYQJP-QWHCGFSZSA-N 304.350 -0.238 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)Cc2cncnc2)C1 1081447847 RXPUSOZECCLOMB-UONOGXRCSA-N 318.377 -0.079 30 20 DBED CC(C)OCC(=O)N1C[C@H](CNC(=O)C#CC2CC2)[C@@H](O)C1 1081472382 XUPMTVMSRLANQD-KBPBESRZSA-N 308.378 -0.240 30 20 DBED CN(C)CCC(=O)N1C[C@@H](O)[C@H](CNC(=O)C#CC(C)(C)C)C1 1081476778 KZILTTPUBBSJIQ-ZIAGYGMSSA-N 323.437 -0.077 30 20 DBED C#CCC1(C(=O)NC[C@@H]2CN(C(C)=O)C[C@H]2O)CCOCC1 1081534505 WTKJQCRTXYBUIR-ZIAGYGMSSA-N 308.378 -0.238 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@@H]2COCCN2CCCC)[C@H](OC)C1 1081985261 KPDZEWCKZYXCFL-OWCLPIDISA-N 323.437 -0.064 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)c2nc(OC)cc(OC)n2)C1 1083571987 VTOYNPYVCSJYFM-MNOVXSKESA-N 322.365 -0.155 30 20 DBED C=CCN1CC[C@@H](N2C[C@H](O)[C@H](NC(=O)c3cnco3)C2)C1=O 1083681832 WBJFFIBNLBRAGR-UTUOFQBUSA-N 320.349 -0.764 30 20 DBED C#CCN[C@@H]1CCCCCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 1088328065 HVCFUTSTXBIIMW-NEPJUHHUSA-N 306.366 -0.422 30 20 DBED C=CCCN1CC[C@H](NC(=O)C2CS(=O)(=O)C2)[C@@H](O)C1 1090294186 YGLADPYTSUZQQN-RYUDHWBXSA-N 302.396 -0.842 30 20 DBED COCCCCC(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1O 1090373319 CPPNMYIPWIQCDG-CHWSQXEVSA-N 319.365 -0.169 30 20 DBED CCO[C@H](CC)C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1O 1090377743 JXZVIHUHLJDBLK-JHJVBQTASA-N 319.365 -0.171 30 20 DBED N#Cc1ccc(N[C@H]2C[C@@H](CNC(=O)Cn3cnnn3)C2)nn1 1091310509 BNLXZXHGSJGWKX-JGZJWPJOSA-N 313.325 -0.658 30 20 DBED Cc1cc(C#N)nc(N2CC[C@H](NC(=O)CC(N)=O)[C@H]2C)n1 1091954205 ZNXQZNUSJNLDGE-KOLCDFICSA-N 302.338 -0.385 30 20 DBED CCCOCC(=O)N[C@H]1CCN(c2nccnc2C#N)C[C@H]1O 1092143004 PPDFNRKZWURBDF-WCQYABFASA-N 319.365 -0.169 30 20 DBED CC(C)(C(N)=O)C(=O)N[C@H]1[C@@H]2CN(c3nccnc3C#N)C[C@@H]21 1093316469 OMLYHGCVEISDBO-JZYVYDRUSA-N 314.349 -0.589 30 20 DBED C#CCNC(=O)CC(=O)NCCNc1nc(C)nc(C)c1F 1093558266 LBKFNZZSINQRCM-UHFFFAOYSA-N 307.329 -0.100 30 20 DBED CC[C@@H](C)C(=O)NCC(=O)NCCN=c1cc[nH]c(C#N)n1 1093648718 XYFGOXMTWGVNHP-SNVBAGLBSA-N 304.354 -0.539 30 20 DBED CN1C(=O)CC[C@@H]1CC(=O)NCCNc1cnc(C#N)cn1 1094055972 SQEYTNMFEKCXFS-LLVKDONJSA-N 302.338 -0.113 30 20 DBED C#CCOCCC(=O)NCCCN=c1cc[nH]c(C(=O)OC)n1 1094593629 GKRGZORGXLRHLT-UHFFFAOYSA-N 320.349 -0.357 30 20 DBED N#CCN1CCN(C(=O)c2cc[nH]c2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094635305 YRRHYGUTXYQBIV-NWDGAFQWSA-N 308.363 -0.538 30 20 DBED N#Cc1nccnc1NCCCNC(=O)C(=O)NCC(F)F 1094658857 UYHIULXZMZKYQA-UHFFFAOYSA-N 312.280 -0.352 30 20 DBED C#CCCN1CC(N2C[C@H](NC(=O)C[C@@H]3CCOC3)CC2=O)C1 1094716094 VPPVTOZTRUJFSC-UONOGXRCSA-N 319.405 -0.162 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)c3ccnc(O)c3)CC2=O)C1 1094724426 UKNVEGOIXOBTPS-LBPRGKRZSA-N 314.345 -0.565 30 20 DBED N#Cc1cnc(NC2CCN(C(=O)CCNC(N)=O)CC2)cn1 1095228652 OZJCLMJYYVJOOT-UHFFFAOYSA-N 317.353 -0.190 30 20 DBED CCOCC(=O)NCCN1CCN(c2ccnc(C#N)n2)CC1 1096262269 CMIPJBGKPVSODM-UHFFFAOYSA-N 318.381 -0.377 30 20 DBED C[C@H](NC(=O)C(N)=O)[C@@H]1CCCN(c2cncc(C#N)n2)C1 1097548194 RJYDXPWEMAJTBL-VHSXEESVSA-N 302.338 -0.445 30 20 DBED CC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cnc(O)n(C)c1=O 1097633901 YPDAVNQNPPYJPQ-RTXFEEFZSA-N 316.361 -0.156 30 20 DBED CC(=O)N(C)CCCC(=O)NC[C@H](C)N=c1cc[nH]c(C#N)n1 1097993739 FHWGNKAXLHEZFL-NSHDSACASA-N 318.381 -0.055 30 20 DBED C=CCCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H]1CCS(=O)(=O)N1 1098428420 LZPKXVKYTKOATG-XQHKEYJVSA-N 313.423 -0.024 30 20 DBED C#CCNCc1cn([C@@H]2CCN(C(=O)c3cnsn3)C2)nn1 1098626448 RGVFGXAINZUFAQ-LLVKDONJSA-N 317.378 -0.060 30 20 DBED C[C@H]1CN(C(=O)C2(C(N)=O)CC2)CC2(CCN(CC#N)CC2)O1 1098630237 CMGLHNPOSXVZMI-LBPRGKRZSA-N 320.393 -0.143 30 20 DBED C#CCNCc1cn([C@H]2CCN(C(=O)CNC(=O)CC)C2)nn1 1098644493 BGSMTNVHVZCWAI-ZDUSSCGKSA-N 318.381 -0.700 30 20 DBED C=CCNCc1cn([C@@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)C2)nn1 1098705172 AFRDZLXACPNWDJ-NEPJUHHUSA-N 319.369 -0.992 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)C(C)(F)F)[C@@H](O)C1 1099614676 XLALZMFJEZYYEZ-UWVGGRQHSA-N 305.325 -0.505 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)c2cncs2)[C@@H](O)C1 1099699472 ZCBNABCPNMTMDV-MNOVXSKESA-N 322.390 -0.943 30 20 DBED C=C(C)CCN1CC[C@@H](NC(=O)CCn2cnnn2)[C@@H](O)C1 1100046270 JGJJYWSESZZHKI-OLZOCXBDSA-N 308.386 -0.419 30 20 DBED C#CCNC1CC(CNC(=O)CN2CCCCS2(=O)=O)C1 1100512581 IDTVRGHBKCIECG-UHFFFAOYSA-N 313.423 -0.470 30 20 DBED CO[C@H](C(=O)NCC1CC(NCC(=O)NCC#N)C1)C1CCC1 1100540837 VEBKUNHYHYQZBP-HGMXIMQMSA-N 322.409 -0.074 30 20 DBED N#Cc1nccnc1N1CCC[C@@H]1CNC(=O)Cn1nccn1 1100871692 BZROXLSUJNYQOS-LLVKDONJSA-N 312.337 -0.275 30 20 DBED C=CCNC(=O)CN1C[C@@H]2CN(C(=O)c3cnn[nH]3)C[C@]2(C)C1 1101289513 TZFNWIQUZLCVCL-ABAIWWIYSA-N 318.381 -0.499 30 20 DBED CCC(=O)NCC(=O)NCCN(c1ccnc(C#N)n1)C1CC1 1101305721 RXSPIQWXGUJSDT-UHFFFAOYSA-N 316.365 -0.041 30 20 DBED N#Cc1cncc(N(CCNC(=O)[C@H]2CCNC2=O)C2CC2)n1 1101419185 XTFXACBWWQZPRE-LBPRGKRZSA-N 314.349 -0.431 30 20 DBED COCCCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)[C@@H](C)C#N)C1 1101824188 YNORFJKJYZLXML-BFHYXJOUSA-N 324.425 -0.017 30 20 DBED CN(CCN=c1cc[nH]cc1C#N)C(=O)[C@H]1CCCC(=O)N1 1101825677 IQLMUEBRNUJZPR-CYBMUJFWSA-N 301.350 -0.086 30 20 DBED CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N(C)CCN=c1cc[nH]c(C#N)n1 1101972080 JMRNIAHESASQSL-MNOVXSKESA-N 316.365 -0.635 30 20 DBED COCC(=O)N(C)CC(=O)N(C)CCNc1ncccc1C#N 1101999710 MXEAPCNSGCAYNX-UHFFFAOYSA-N 319.365 -0.072 30 20 DBED CC[C@@H](CNC(=O)Cn1cnnn1)N=c1cc[nH]cc1C#N 1102968922 QRZNFIJYIUOVKK-NSHDSACASA-N 300.326 -0.631 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCNC1=O)CNc1cncc(C#N)n1 1104157202 HSLFFAASGSGPOD-KOLCDFICSA-N 302.338 -0.351 30 20 DBED N#Cc1ccc(NC2(CNC(=O)CNC(N)=O)CCCC2)nn1 1104369069 FIENBMVDJRVQDR-UHFFFAOYSA-N 317.353 -0.143 30 20 DBED C[C@@H](CNc1nccnc1C#N)N(C)C(=O)Cc1nc[nH]n1 1104674357 YJLSXJRLECDOEF-VIFPVBQESA-N 300.326 -0.032 30 20 DBED CCOCC(=O)N1CC(n2cc(CNCC#CCOC)nn2)C1 1105151200 UGYXXCPYPGEUGG-UHFFFAOYSA-N 321.381 -0.563 30 20 DBED Cn1cc(CC(=O)NC[C@@H](O)CNc2ccc(C#N)cn2)cn1 1105783176 WEEOHGSCZKEABP-ZDUSSCGKSA-N 314.349 -0.182 30 20 DBED Cn1cncc1CC(=O)NC[C@H](O)CNc1ncccc1C#N 1105914557 XSQLMNLLWDYZIW-ZDUSSCGKSA-N 314.349 -0.182 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@@H](C)[C@H](CNCC(=O)NCC)C1 1106111956 UGLWWICFVNVNAY-HZSPNIEDSA-N 309.410 -0.155 30 20 DBED Cc1nc(NC[C@@H](O)CNC(=O)[C@H]2C[C@H]2C(N)=O)ccc1C#N 1106119696 QFWLXBHZLBCXIB-UTUOFQBUSA-N 317.349 -0.728 30 20 DBED Cc1nnccc1C(=O)NC[C@H](O)CNc1ccc(C#N)nn1 1106173012 DZSRZOLCAUBIRG-LLVKDONJSA-N 313.321 -0.351 30 20 DBED C[C@@H](CC(=O)NC/C=C\CNc1cncc(C#N)n1)NC(N)=O 1107350024 CAZQSSYSVSHIQT-ZMWSMAPVSA-N 317.353 -0.121 30 20 DBED N#Cc1cnc(NC/C=C\CNC(=O)C(=O)NCC(F)F)cn1 1107403097 SMHZZLHLWCXOJF-UPHRSURJSA-N 324.291 -0.186 30 20 DBED C#CCCN1CCO[C@@](C)(CNC(=O)CCn2cncn2)C1 1107742991 FYABOOYETRVQPH-HNNXBMFYSA-N 305.382 -0.101 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)C[C@@H]1CCNC1=O 1107978757 MZZTVSSFPYLTOD-ZJUUUORDSA-N 302.338 -0.787 30 20 DBED C[C@@H](C(=O)NC[C@]1(C)CN(CC#N)CCO1)N1C(=O)CCC1=O 1107982830 DEJFFHYONVQWGM-XHDPSFHLSA-N 322.365 -0.745 30 20 DBED C[C@@H](CN(C)c1ccc(C#N)nc1)NC(=O)C1CS(=O)(=O)C1 1109116456 JAMJRWXUTHEHRJ-JTQLQIEISA-N 322.390 -0.061 30 20 DBED C[C@@H](CN(C)c1nccnc1C#N)NC(=O)c1c[nH]c(=O)cn1 1109230604 FWVUJQKJVWSHDI-VIFPVBQESA-N 313.321 -0.314 30 20 DBED CN(CCCNc1ncccc1C#N)C(=O)Cn1ncnn1 1109527872 ASUNGAMNKOODFL-UHFFFAOYSA-N 300.326 -0.100 30 20 DBED Cc1cc(C#N)nc(N2CCC[C@@](C)(CNC(=O)C(N)=O)C2)n1 1110953370 DPGHRHWBYNWYRG-HNNXBMFYSA-N 316.365 -0.135 30 20 DBED CCCOCC(=O)NC[C@]1(O)CCN(c2cnc(C#N)cn2)C1 1111038132 SZSTZEZEYQKCFI-OAHLLOKOSA-N 319.365 -0.168 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1ncccn1 1111170700 ZMQLCKDBDFQPJN-UPJWGTAASA-N 313.361 -0.439 30 20 DBED Cc1nsc(N2C[C@H](O)[C@@H](N(C)C(=O)CC(N)=O)C2)c1C#N 1111176654 MTWJFWZDPYKHEI-UWVGGRQHSA-N 323.378 -0.794 30 20 DBED COCCOCC(=O)N(CCO)CCNc1ncccc1C#N 1111435747 BNIPHAIMWDRSQA-UHFFFAOYSA-N 322.365 -0.151 30 20 DBED C[C@H]1C[C@@H](NC(=O)CC(N)=O)CCN1c1nccnc1C#N 1112459993 QTRRHWIZLMNYSF-UWVGGRQHSA-N 302.338 -0.303 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)c2cncnc2C)CC1 1112645407 UAHQLYFIIDUVNT-ZDUSSCGKSA-N 315.377 -0.319 30 20 DBED C[C@H](N=c1cc[nH]c(C#N)n1)[C@H](C)NC(=O)C1=COCCO1 1112892150 JHHSIJTVLCHMRO-UWVGGRQHSA-N 303.322 -0.037 30 20 DBED C#Cc1ccc(C(=O)N2CCN(CC(=O)NC(N)=O)CC2)cc1 1113179698 HMAHDVVVYOMDLC-UHFFFAOYSA-N 314.345 -0.379 30 20 DBED C[C@@H](CNC(=O)[C@@H]1COCCO1)N(C)c1ccc(C#N)nn1 1113501881 PTNPJTALSIRJDC-JQWIXIFHSA-N 305.338 -0.295 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@@H]3CCN(C)[C@@H]3C)[C@H]2C1 1114298031 BDDLOFSPVJJLOM-FAHYXWLWSA-N 318.421 -0.878 30 20 DBED N#Cc1cnc(N2C[C@H]3C(CNC(=O)C(N)=O)[C@@H]3C2)c(F)c1 1114619862 FMTGWDHUEKQJMX-UWVGGRQHSA-N 303.297 -0.624 30 20 DBED C=CCCN1C[C@H]2C(NC(=O)C(C)(C)NS(C)(=O)=O)[C@@H]2C1 1114942155 IWOITCGFHHJXBI-GHMZBOCLSA-N 315.439 -0.063 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)CN(C)CCC)[C@H]2C1 1115150495 XMLWDJCVMYFYCU-STQMWFEESA-N 308.426 -0.323 30 20 DBED CC[C@@H](C#N)NC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 1116667824 LVWRDJAWNRQWON-VWYCJHECSA-N 313.379 -0.560 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)NCC1(S(C)(=O)=O)CCC1 1117686034 ZLKVVPBHVNZLTO-UHFFFAOYSA-N 324.402 -0.445 30 20 DBED CN(C)C[C@H]1CCN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)C1 1118249199 FCPZSVCAAIEABJ-DOMZBBRYSA-N 308.382 -0.726 30 20 DBED C=CCn1cc(CNC(=O)[C@@H]2CCc3nnnn3CC2)nn1 1118318539 ARGLEKBUJWPFAN-SNVBAGLBSA-N 302.342 -0.281 30 20 DBED C#CCOCCn1nnnc1N1CC[C@@H]2NC(=O)CC[C@H]2C1 1120159638 BTGSYSLRTPNRDU-RYUDHWBXSA-N 304.354 -0.572 30 20 DBED CCc1cc(C(=O)NC[C@@H](CO)Nc2nccnc2C#N)n[nH]1 1121135860 IRPYNBXSEYUNMM-JTQLQIEISA-N 315.337 -0.163 30 20 DBED N#Cc1nc(=N[C@@H](CO)CNC(=O)c2ccnc(F)c2)cc[nH]1 1121172373 NSZWEEASJAFURQ-SNVBAGLBSA-N 316.296 -0.493 30 20 DBED CCNC(=O)CC(=O)NC[C@H](CO)Nc1ccc(C#N)cn1 1121466165 ZVXKMGSDCUZBPE-LLVKDONJSA-N 305.338 -0.632 30 20 DBED COC[C@H](OC)C(=O)NC[C@H](CO)Nc1ncccc1C#N 1122466051 KYDPEWOWGCGUPT-NEPJUHHUSA-N 308.338 -0.496 30 20 DBED C[C@]1(C(=O)NC[C@@H](CO)Nc2ncccc2C#N)CCNC1=O 1122543681 OXCRFTSPRSCJNS-NHYWBVRUSA-N 317.349 -0.632 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)C(C)(C)F 1122569837 VBRFZQHCWARDOT-SECBINFHSA-N 302.350 -0.159 30 20 DBED C[C@@H](NC(=O)NC1CCN(CC#N)CC1)[C@@H]1CN(C)CCN1C 1123598626 DLELVWIJZUKJMB-HIFRSBDPSA-N 322.457 -0.092 30 20 DBED CC(=O)N[C@H](C)C(=O)N(C)C[C@@H](O)CNc1ccc(C#N)nc1 1124060125 RXNYQQDKWDKAEM-YGRLFVJLSA-N 319.365 -0.291 30 20 DBED CN(C[C@@H](O)CNc1cnc(C#N)cn1)C(=O)CC1(O)CCC1 1124278238 GOPHUBODQKEMIR-LBPRGKRZSA-N 319.365 -0.115 30 20 DBED CN(C[C@@H](O)CNc1ccc(C#N)nc1)C(=O)CCCC(N)=O 1124394157 RZYWKTBKZYLUFU-ZDUSSCGKSA-N 319.365 -0.160 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)c1cocn1 1124798721 NFOMVEMQHMHZIU-SECBINFHSA-N 309.326 -0.606 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C[C@@H](O)CN(C)c1cc(F)ncn1 1125161609 LVXDOZQVYMDABV-RYUDHWBXSA-N 324.356 -0.091 30 20 DBED N#Cc1c[nH]c(C(=O)NCCNCC(=O)N2CCOCC2)c1 1125390950 KPQWMFTXGMQCKB-UHFFFAOYSA-N 305.338 -0.935 30 20 DBED C#CCNC(=O)CC(=O)NCCNCc1noc2c1COCC2 1125999111 XNONFVKFGKKXFV-UHFFFAOYSA-N 320.349 -0.907 30 20 DBED C=CCCN[C@@H]1CCN(c2cccc(CNC(=O)C(N)=O)n2)C1 1127846772 ZRGWZTKIXPZAJY-CYBMUJFWSA-N 317.393 -0.073 30 20 DBED C#CCNC(=O)CN1C[C@H](NC(=O)Cn2cccn2)CC[C@@H]1C 1131788876 YVYAIYJVXVQYQB-UONOGXRCSA-N 317.393 -0.398 30 20 DBED C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)NCCNCC(=O)NCC#N)C1 1132829577 ASLSUBKXODZMCY-PWSUYJOCSA-N 318.381 -0.579 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)c1cc(C)n(C)n1 1133829819 IIJHGSSICMSDMW-VXGBXAGGSA-N 319.409 -0.036 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCCNCC(=O)NC(=O)NC1CC1 1134061970 LUZXOJJNUDIEPW-NEPJUHHUSA-N 324.381 -0.729 30 20 DBED N#CCNC(=O)CNCCNC(=O)[C@H]1[C@H]2c3ccccc3C[C@H]21 1134896016 KCMSQGPRBLGWGI-VNQPRFMTSA-N 312.373 -0.082 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)[C@@H]1C[C@@H]1OCC)C2 1147056315 FHQPMUZNSDRZAD-KGLIPLIRSA-N 319.405 -0.305 30 20 DBED C[C@@H]1C[C@H](C(=O)N2CC3(CCN(CC(=O)NCC#N)C3)C2)CO1 1147812791 WUXMYZXYBVQWTL-OLZOCXBDSA-N 320.393 -0.415 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@H](OC)c1ccc(F)cc1 1153073851 QPIWCZOBHXGTAU-OAHLLOKOSA-N 321.352 -0.032 30 20 DBED C#CCN(CC)[C@H](C)CNC(=O)[C@H]1CCN(C)S1(=O)=O 1155752086 XRYZANZMQLGXCC-VXGBXAGGSA-N 301.412 -0.520 30 20 DBED O=C(C#CC1CC1)NCCCNCC(=O)NC[C@@H]1CCCO1 1157705009 HESRIUIKGIRNQF-AWEZNQCLSA-N 307.394 -0.209 30 20 DBED C#CCNC(=O)CNCCCNC(=O)C1(c2cccnc2)CC1 1164456133 MHBUHNYZUUYIQN-UHFFFAOYSA-N 314.389 -0.042 30 20 DBED C#CCO[C@@H](C)C(=O)NCCC1(CNCCOCCO)CC1 1164509219 XPEKCTRRHOAANB-AWEZNQCLSA-N 312.410 -0.090 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@@H]1CCCCC(=O)N1 1166455694 YHBAZEXGKJRMEU-LBPRGKRZSA-N 310.398 -0.557 30 20 DBED CCNC(=O)NC(C)(C)C(=O)NCCCNCC#CCOC 1167575374 YGWHIZHROWQPAA-UHFFFAOYSA-N 312.414 -0.170 30 20 DBED C#CCCNCC1(CCNC(=O)Cn2nc(C)n(C)c2=O)CC1 1167942411 NTUYRGXSLYXFLQ-UHFFFAOYSA-N 319.409 -0.210 30 20 DBED COCC#CCNCCCNC(=O)[C@@H]1CCc2nnc(C)n2C1 1176827569 WPLUOFLJIGUNEO-CQSZACIVSA-N 319.409 -0.105 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@H](NCCS(C)(=O)=O)[C@@H]1C 1178678174 AULFAWMXPSSGHF-XQQFMLRXSA-N 316.423 -0.352 30 20 DBED C#CCNC(=O)CNCCCCCCNC(=O)CCN(C)C 1179461402 JUYBSWJDZHGVTE-UHFFFAOYSA-N 310.442 -0.046 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H](C)OCCC=C)C1 1181469405 MZCLFXYTQFAJNG-UONOGXRCSA-N 307.394 -0.093 30 20 DBED C=CCNC(=O)CNC[C@H]1CCN(C(=O)CNC(C)=O)C[C@@H]1C 1183735760 PARCSEXSMXGTAL-GXTWGEPZSA-N 324.425 -0.501 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1184416389 PFVHKIYDIPGBEZ-ULSDXFBPSA-N 319.405 -0.098 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)CCc2nccn2C)C1 1184492473 VRUCWMFBTQCQBW-CYBMUJFWSA-N 317.393 -0.707 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)C2(C(=O)N(C)C)CC2)C1 1186981266 LXMVEVHYGZGWDG-GFCCVEGCSA-N 322.409 -0.653 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2cn(C)cn2)C1 1189642205 MXWYWCALJJODGJ-LBPRGKRZSA-N 303.366 -0.684 30 20 DBED CN(CC(=O)NCC#N)[C@@H]1CCN(C(=O)C[C@H]2COC(=O)C2)C1 1189652304 PRLUBSKAKALROU-VXGBXAGGSA-N 322.365 -0.888 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(CCc2ccns2)C[C@H]1O 1192899050 GOERQHCVUUPKAC-MRVWCRGKSA-N 323.418 -0.115 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)C(C)(C)C)C1 1194136233 HHAXJOVNGVOUBW-JHJVBQTASA-N 309.410 -0.421 30 20 DBED C=C[C@@H](CC)CC(=O)N[C@@H]1CN(CCOCCO)C[C@H]1O 1195567711 RPRGAMNYVYVINV-BFHYXJOUSA-N 300.399 -0.241 30 20 DBED COc1ccccc1[C@H](CNC(=O)Cn1cnnn1)NCC#N 1198522356 KTGCKJQJQJSKAD-LBPRGKRZSA-N 315.337 -0.348 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(Cc2ccn(C)n2)C[C@H]1O 1199292853 UMHAKPJTYKYTKU-ZIAGYGMSSA-N 308.382 -0.326 30 20 DBED C/C=C(\C)C(=O)N1CCCO[C@@H](CNCC(=O)NCC#N)C1 1200216621 XTPZYBBBKXGUEL-QQFGACLNSA-N 308.382 -0.201 30 20 DBED N#CCNC[C@H]1CN(C(=O)C[C@H]2CCC(=O)NC2)CCCO1 1200673295 NLBVUBGRQWBNIF-OLZOCXBDSA-N 308.382 -0.367 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)[C@H]2CCCNC2=O)CCCO1 1200737675 RTJANMCIDRGDER-KGLIPLIRSA-N 307.394 -0.257 30 20 DBED C#CCNC[C@H]1CN(C(=O)c2nc(C)c(C)[nH]c2=O)CCCO1 1200786817 IWACUUVQDMZBFG-ZDUSSCGKSA-N 318.377 -0.159 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)CNC(=O)CCC)[C@H](C)C1 1206349558 AMXASNUXVGOYOX-CHWSQXEVSA-N 324.425 -0.359 30 20 DBED N#CCNC(=O)CN[C@H]1CCCN(C(=O)c2ncccn2)C1 1210243516 GOVSGSFBBHZUBE-NSHDSACASA-N 302.338 -0.689 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1CN(CCO)C[C@H]1OC 1213537282 GOMXDIGGWNMDLK-MGPQQGTHSA-N 313.398 -0.735 30 20 DBED COC1CC(C(=O)N2C[C@@H](NCC(=O)NCC#N)[C@H](C)C2)C1 1214919320 RYKVXYLGNVZCGX-IKWCTNDRSA-N 308.382 -0.512 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)Cc2cnc[nH]2)C[C@H]1C 1215680851 MAOURGZZFMPEKO-DGCLKSJQSA-N 305.382 -0.309 30 20 DBED C#CCCN[C@@H]1CN(C(=O)CCS(=O)(=O)N(C)C)C[C@H]1C 1216824907 QLDXFZOAKCWVCZ-CHWSQXEVSA-N 315.439 -0.272 30 20 DBED N#CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)C1CCC1 1217171724 DWPRCHGYHRKDJT-QWHCGFSZSA-N 306.366 -0.662 30 20 DBED CC[C@@H](C)C(=O)N1CCO[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1217296883 XTXHBXLAUTYHAY-FRRDWIJNSA-N 308.382 -0.416 30 20 DBED CC(C)N(C)C(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H](C)C#N 1217527552 DCAAXOMANRAPRJ-MELADBBJSA-N 322.409 -0.076 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)Cc2cc(C)on2)C1 1219376231 UQHQMEDUBXZIEL-KGLIPLIRSA-N 309.366 -0.111 30 20 DBED CC(C)n1ncnc1CN1C[C@H](O)[C@H](NC(=O)[C@@H](C)C#N)C1 1219379622 VRZJQOVCVBIROR-TUAOUCFPSA-N 306.370 -0.320 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(Cc2cnc(C)cn2)C[C@@H]1O 1219536496 SACATCHOUOVDIY-IJEWVQPXSA-N 320.393 -0.227 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(Cc2nnnn2C(C)C)C[C@@H]1O 1219581556 PNVMAQYPRWUKQA-OLZOCXBDSA-N 320.397 -0.425 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)CNC(=O)c2ccncc2)C1 1219674760 AVSARIUKDGPRFR-KGLIPLIRSA-N 318.377 -0.451 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)C2CC3(CC3)C2)C1 1220331307 QKJINLDEYHMQNH-BNOWGMLFSA-N 319.405 -0.524 30 20 DBED C=CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3cnon3)[C@@H]2C1 1221881189 DEWIYVBFEIDNLH-ZYHUDNBSSA-N 305.338 -0.482 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)[C@@H]2CCCOC2)CC1 1226494667 XWOKXUGVLYAEFT-CYBMUJFWSA-N 307.394 -0.257 30 20 DBED COCC#CCN1CCC(NC(=O)CCc2cn(C)nn2)CC1 1230472632 ROWKGXBMIASXNY-UHFFFAOYSA-N 319.409 -0.022 30 20 DBED C[C@@H](C#N)C(=O)N(C)C[C@@H]1CCN1CC(=O)N1CCOCC1 1231247104 KWOGLIFZQKTLKL-STQMWFEESA-N 308.382 -0.462 30 20 DBED C=CCNC(=O)[C@H](C)N1CC[C@@H]1CN(C)C(=O)CNC(=O)CC 1231270696 BPPKZFDOMGDQHJ-QWHCGFSZSA-N 324.425 -0.264 30 20 DBED CCNC(=O)[C@H](C)NC(=O)C(=O)Nc1cc(C)nn1CCC#N 1319554606 WGRKJXUGZHSIBN-JTQLQIEISA-N 320.353 -0.316 30 20 DBED CNC(=O)c1cccc(C(=O)NS(=O)(=O)CCCC#N)n1 1319833489 XUVFLGKABOOGGL-UHFFFAOYSA-N 310.335 -0.195 30 20 DBED C=CC[C@H](CO)CNC(=O)c1cn(Cc2noc(C)n2)nn1 1321081993 XJDCEHQNNUTXSS-JTQLQIEISA-N 306.326 -0.068 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCCNC(=O)C1CC1 1321925356 XEQFWAMSJCHFDL-OLZOCXBDSA-N 323.393 -0.274 30 20 DBED C=CCN(C(=O)C(=O)NC1CC(NS(C)(=O)=O)C1)C1CC1 1322529374 VPPGGZFXJZXBEP-UHFFFAOYSA-N 315.395 -0.640 30 20 DBED C=CCN(CCOC)C(=O)C(=O)NC[C@H]1CC(=O)N(C2CC2)C1 1322927148 PTTGAJVUXDKMJP-GFCCVEGCSA-N 323.393 -0.226 30 20 DBED C[C@H](NC(=O)C(=O)N1CC[C@@](O)(CC#N)C1)c1csnn1 1326167118 IBDQFWRHDLWGRT-UFBFGSQYSA-N 309.351 -0.408 30 20 DBED C=CCS(=O)(=O)CCNC(=O)NC[C@H]1CCCS1(=O)=O 1328106842 VNVVNGKDQFIPFV-SNVBAGLBSA-N 324.424 -0.536 30 20 DBED C=C[C@@H]1CCCCN1C(=O)C(=O)N1CCN(C(=O)COC)CC1 1328548328 YQOWNPLHVBGGJZ-CYBMUJFWSA-N 323.393 -0.129 30 20 DBED CN1CC[C@@]2(CCN(C(=O)C(=O)N3CC[C@](O)(CC#N)C3)C2)C1 1329465987 NLVRJMIETGFYCF-HZPDHXFCSA-N 320.393 -0.582 30 20 DBED CCN1C[C@H](CNC(=O)C(=O)Nc2cccc(C#N)n2)CC1=O 1332609652 CIWLLKJNUSICNG-JTQLQIEISA-N 315.333 -0.124 30 20 DBED C#CCN1CCC[C@H](NC(=O)C(=O)Nc2cc(OC)ncn2)C1 1333584244 LYKWFENSCMSPHK-NSHDSACASA-N 317.349 -0.363 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@@H]1CCCN(CC)C1=O)[C@@H]1CCCO1 1334244749 MUQDDCASQWNUKJ-XQQFMLRXSA-N 321.377 -0.590 30 20 DBED C[C@@H]1CN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C[C@@H](C)N1 1335585233 PRYBDSWOSUPTKM-BZPMIXESSA-N 319.409 -0.606 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)NC[C@@]1(C)CCC(=O)N1 1349405481 BDWAOFCWGMSNDU-XHDPSFHLSA-N 309.366 -0.684 30 20 DBED COC[C@H](CNC(=O)C(=O)Nc1cc(C)c(C#N)cn1)OC 1349787904 UOTKGTUJGZMMIT-NSHDSACASA-N 306.322 -0.022 30 20 DBED C=C[C@H](CO)NC(=O)C(=O)Nc1ccc(CC(=O)N(C)C)cc1 1350308793 GBVOPNXYLGQGPC-GFCCVEGCSA-N 319.361 -0.081 30 20 DBED N#Cc1cn(CC(=O)N2CC[C@@H](c3ncon3)C2)c(=O)nc1O 1362892893 UDKDPJCSFJAPJB-MRVPVSSYSA-N 316.277 -0.780 30 20 DBED Cn1c(CC#N)nnc1SCC(=O)N1CCC(C(N)=O)CC1 1363191198 VTVKAENGBYPSRO-UHFFFAOYSA-N 322.394 -0.303 30 20 DBED CCN(CCC#N)C(=O)CN[C@H]1CCN(C(=O)CNC(C)=O)C1 1366375595 NQISLKQGWJFJLI-ZDUSSCGKSA-N 323.397 -0.925 30 20 DBED COc1c[nH]c(C(=O)NC[C@@H](C)NC(=O)[C@H](C)C#N)cc1=O 1386928372 FZZORXSIUZKHRZ-RKDXNWHRSA-N 306.322 -0.222 30 20 DBED CC(C)OCCC(=O)NC[C@H](O)CNC(=O)c1cc(C#N)c[nH]1 1389070987 YZEAAKDRUPYXBS-LBPRGKRZSA-N 322.365 -0.092 30 20 DBED C[C@@H](CN(C)C(=O)Cc1nc[nH]n1)NC(=O)c1c[nH]c(C#N)c1 1395680149 PXLAFEOMTUQFOJ-VIFPVBQESA-N 315.337 -0.176 30 20 DBED C[C@@H](C#N)C(=O)NCCN1CCN(C(=O)C[C@H]2CCOC2)CC1 1407445000 CYDOOJWKANCEPH-UONOGXRCSA-N 322.409 -0.167 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H](O)CNC(=O)CC2(O)CCC2)c1 1410095492 ORXHCYJQRYLNAZ-LLVKDONJSA-N 320.349 -0.602 30 20 DBED COCC(C)(C)C(=O)NC[C@H](O)CNC(=O)c1cc(C#N)c[nH]1 1416754086 RGMWGMSDGWMQJH-LLVKDONJSA-N 322.365 -0.234 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNCC(=O)NCc1ccco1 1422270572 YUUOJDJBBIFXBZ-GHMZBOCLSA-N 308.338 -0.878 30 20 DBED COC(=O)NCC(=O)NC[C@H]1CCN1C(=O)c1c[nH]c(C#N)c1 1432009484 ACHWPVYQJHXVMA-LLVKDONJSA-N 319.321 -0.427 30 20 DBED C=C(Cl)CN1CCN(CCNC(=O)c2ncn(C)n2)CC1 1436703093 JLKJSIZAQFQBAZ-UHFFFAOYSA-N 312.805 -0.085 30 20 DBED C=C(Cl)CNC[C@@H](O)CNC(=O)C[C@@H]1CCN(C)C1=O 1445181098 DVKXJNIJZZSKCL-WDEREUQCSA-N 303.790 -0.326 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1C[C@@H](NC(=O)CS(C)(=O)=O)C1 1452979977 PRCFXHRLXCMILV-LPEHRKFASA-N 301.368 -0.798 30 20 DBED CC1(C)C[C@@H]1C(=O)NC[C@H]1COCCN1CC(=O)NCC#N 1501770745 RTWYWBFVFMRDKQ-NWDGAFQWSA-N 308.382 -0.511 30 20 DBED Cn1cccc1C(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1 1515068548 WWUDPXFRDVAWCN-SNVBAGLBSA-N 309.347 -0.395 30 20 DBED C#CCO[C@H](C)C(=O)N1CCOC2(CN(Cc3cnn[nH]3)C2)C1 1575013741 SWKXCQFYCYAPNO-GFCCVEGCSA-N 319.365 -0.744 30 20 DBED N#C[C@@H]1CNCC12CC(C(=O)N1CCN3C(=O)NC[C@@H]3C1)C2 1580042679 ZJBLADPBEAZPKA-HFXYEQLZSA-N 303.366 -0.638 30 20 DBED C#CCC[C@H](O)CNC(=O)CNc1ccc(-c2nn[nH]n2)cn1 1588337330 NEKWBZWMZNGWKD-NSHDSACASA-N 315.337 -0.436 30 20 DBED C#CCN(CC(=O)O)CC(=O)N1CC(=O)Nc2ccccc21 1588419953 JITVWBFMLKCKLV-UHFFFAOYSA-N 301.302 -0.009 30 20 DBED C#CCN(CC(=O)NCC[C@H](O)C(=O)O)C(=O)OC(C)(C)C 1588465766 GRWLNCWPUFWKEE-JTQLQIEISA-N 314.338 -0.192 30 20 DBED N#CC[C@@H]1CCCN(C(=O)C(=O)N2CCO[C@@H](CC(=O)O)C2)C1 1601063435 VLYJIJQDSQBVAA-RYUDHWBXSA-N 323.349 -0.159 30 20 DBED N#Cc1ccc(S(=O)(=O)N[C@]2(CC(=O)O)CCOC2)nc1 1601112795 OTDTXFKUQVAXQA-LBPRGKRZSA-N 311.319 -0.135 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H]1CCN(c2ccnc(C(=O)O)n2)C1 1602726509 QTUGAXCUEXBHQZ-QWRGUYRKSA-N 318.333 -0.092 30 20 DBED C=CCOC[C@@H](NC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C(=O)OC 1602869921 FRGYWCZWZJLLNX-SNVBAGLBSA-N 320.309 -0.331 30 20 DBED N#CCC1CN(S(=O)(=O)c2ccc(-c3nn[nH]n3)cn2)C1 1606345761 IPVQRPKNECZVIW-UHFFFAOYSA-N 305.323 -0.204 30 20 DBED C#CCSCCNC(=O)[C@@H](C)n1cnc(-c2nn[nH]n2)n1 1609021619 MZRPYQSIEVTJQE-MRVPVSSYSA-N 306.355 -0.498 30 20 DBED C#CC[C@@H](NC(=O)CCn1nnc2ccccc2c1=O)C(=O)O 1609079026 UAPHZWZGUUQEOT-GFCCVEGCSA-N 314.301 -0.226 30 20 DBED C#CCNC(=O)CNC[C@@]1(C)CCN(C(=O)C[C@H]2CCOC2)C1 1671719813 OLFFHHFLIWWRFW-RHSMWYFYSA-N 321.421 -0.009 30 20 DBED CC(C)C#CC(=O)N[C@H]1CCN(CC(=O)NC[C@H]2CCOC2)C1 1732152407 VCOLDWAAORERDC-CABCVRRESA-N 321.421 -0.011 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@H](NC(=O)c2cnc(C)cn2)C1 1752612219 GMUPJMLDLQBAAA-HAQNSBGRSA-N 301.350 -0.615 30 20 DBED C=CCNC(=O)[C@H](C)N1CC[C@@H](CNC(=O)c2[nH]nnc2C)C1 1753131524 XBNGUPJCAAZWFM-RYUDHWBXSA-N 320.397 -0.144 30 20 DBED COCC#CCN(CCNC(=O)[C@]1(C)CCC(=O)N1)C1CC1 1753158874 JDOUTJZQDMZBEK-INIZCTEOSA-N 307.394 -0.115 30 20 DBED C=CCNC(=O)CNCCN(C)C(=O)c1cnc2n1CCOC2 1753198773 BXJBKLGDPGSVGA-UHFFFAOYSA-N 321.381 -0.623 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC(CNC(=O)c2cnn(CC)n2)C1 1753402039 ZQQLPJMXTVHMMI-LLVKDONJSA-N 320.397 -0.350 30 20 DBED C=CCNC(=O)CN[C@H](CC)CNC(=O)c1[nH]c(O)nc1C 1753478264 JQNDCZYADGPSGF-SNVBAGLBSA-N 309.370 -0.176 30 20 DBED CC[C@H](CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)NCC(=O)NCC#N 1753484570 XWYBISSDWTYICL-SFDCQRBFSA-N 322.409 -0.074 30 20 DBED C#CCNCC[C@@H]1CCCN(C(=O)[C@@H](C)NS(C)(=O)=O)C1 1753556675 UWGFMLMXSVTZFV-OLZOCXBDSA-N 315.439 -0.224 30 20 DBED C=CCNC(=O)[C@@H](C)NCC[C@@H](C)NC(=O)c1nnn(C)c1C 1753954238 GEFDWBFXELVTIG-GHMZBOCLSA-N 322.413 -0.088 30 20 DBED C=CCNC(=O)CNC/C=C/CNC(=O)[C@@H]1CCN(C)[C@@H]1C 1754122115 WRTBISXLPQUOKC-QAMKJQMISA-N 308.426 -0.109 30 20 DBED COCC#CCN(C)C[C@@H](C)NC(=O)CCS(C)(=O)=O 1754315011 SWHPFQIHEMTSLL-GFCCVEGCSA-N 304.412 -0.493 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CCN1CC(=O)NC[C@H]1CCOC1 1754483555 JVKOTPRYZHCYHO-HUUCEWRRSA-N 321.421 -0.011 30 20 DBED N#CCNC(=O)CNC1(CNC(=O)[C@@H]2C[C@]23CCOC3)CC1 1754531076 OJFJQGLPBCECMF-FZMZJTMJSA-N 306.366 -0.709 30 20 DBED C#CCCN1CC[C@](O)(CNC(=O)[C@@H]2COCCN2CC)C1 1754752295 FSEJBPVVKHUSSP-HOCLYGCPSA-N 309.410 -0.717 30 20 DBED CC#CCNC[C@H]1CN(C(=O)CN(C)S(C)(=O)=O)C[C@@H]1C 1754819743 XEIUXPRYEOZUGN-STQMWFEESA-N 315.439 -0.415 30 20 DBED C=C(C)CN1CCOC[C@H]1CNC(=O)CS(=O)(=O)N(C)C 1754975216 VPWVPBWSCMCRBQ-GFCCVEGCSA-N 319.427 -0.729 30 20 DBED C=CCOCCNC[C@H]1CN(C(=O)Cc2nc[nH]n2)CCO1 1755013287 SZPSFWCNHZXYQQ-LBPRGKRZSA-N 309.370 -0.633 30 20 DBED N#CCN1CC(CCO)(NC(=O)COCc2ccnc(O)c2)C1 1755332795 MUWRQVZXVNODRH-UHFFFAOYSA-N 320.349 -0.620 30 20 DBED CN(CC#N)CCOCCNC(=O)[C@H](NC(N)=O)C(C)(C)C 1755545573 YXTGCEKUKPVMKT-NSHDSACASA-N 313.402 -0.342 30 20 DBED C#CCNC(=O)CN[C@H](CO)CNC(=O)c1cccc(CC)n1 1755630366 HYHHVAREHGFCFE-ZDUSSCGKSA-N 318.377 -0.926 30 20 DBED CN(C[C@H](O)CNCC#N)C(=O)c1ccc(S(C)(=O)=O)o1 1755789669 RGFPVCPUJNFGOT-SECBINFHSA-N 315.351 -0.771 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H]2CC[C@H]1CN2C(=O)[C@H](C)OC 1756162746 CBLHPPMMNDKKEI-RWMBFGLXSA-N 321.377 -0.637 30 20 DBED C=CCCOCC(=O)N[C@H]1C[C@@H](C)N(C(=O)Cn2ncnn2)C1 1756589773 ILVHKRLAFNLRCR-NEPJUHHUSA-N 322.369 -0.629 30 20 DBED C=C[C@@](C)(CC)C(=O)NC[C@H](O)CN(C)C(=O)Cn1cncn1 1756680217 VPKIOYIUNPVBPC-WFASDCNBSA-N 323.397 -0.184 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2nc(C)c[nH]2)C1 1757002921 ZPCQEROOQLXTIY-GHMZBOCLSA-N 308.338 -0.778 30 20 DBED C=C[C@@](C)(CC)C(=O)N[C@@H]1CN(C(=O)CNC(C)=O)C[C@H]1O 1757031641 JYKTXCWGUNAIEB-JMSVASOKSA-N 311.382 -0.587 30 20 DBED C=CCOCC(=O)N1C[C@@H](NC(=O)c2cnn(C)c2)[C@H](OC)C1 1757115911 YLOMQFWEFQGQFN-CHWSQXEVSA-N 322.365 -0.422 30 20 DBED C=CCC(=O)N1CC[C@]2(C1)CN(C(=O)CCNC(C)=O)CCO2 1783922361 VKORQVHTQKJXRP-INIZCTEOSA-N 323.393 -0.081 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nccn1C 1794878151 ANFWOPBRDAQMSF-PTEHBNRSSA-N 302.334 -0.744 30 20 DBED C=CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1C[C@H](O)CN1 1799923282 UZHJSSCDKYVXGM-NDKCEZKHSA-N 307.394 -0.077 30 20 DBED C=CCN(CCCS(=O)(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 66561053 LUOQEFFWVSHEKI-GFCCVEGCSA-N 324.468 -0.057 30 20 DBED CCN(CCC#N)C(=O)CN1CCN(C(=O)CN(C)C)CC1 112731193 DKBPJNBDVURJJG-UHFFFAOYSA-N 309.414 -0.546 30 20 DBED C=CCN(C)C(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 152890889 KLVPLFGHBLKTMV-GHMZBOCLSA-N 300.380 -0.334 30 20 DBED C=CCNC(=O)CNS(=O)(=O)c1cc(C(=O)OC)c(C)o1 272039190 KVWDUNMDJSFBCZ-UHFFFAOYSA-N 316.335 -0.045 30 20 DBED CCN(CCC#N)C(=O)CN1C(=O)c2cccnc2S1(=O)=O 279987503 QQRCSXNRJJBEJD-UHFFFAOYSA-N 322.346 -0.012 30 20 DBED N#Cc1cccnc1N1CCN(C(=O)[C@@H]2COC(=O)N2)CC1 283103524 CFCSNOXYINSFCK-NSHDSACASA-N 301.306 -0.290 30 20 DBED C=C[C@H](CO)NC(=O)NC1CCN(CC(=O)NCCC)CC1 292266518 GHEPZHHEICJDSD-GFCCVEGCSA-N 312.414 -0.177 30 20 DBED CCN1CCN(C[C@@H](C)C/N=C(/O)N2CC(=O)N(C)C2)CC1 329634541 TZPPZCQMXUBUDJ-ZDUSSCGKSA-N 311.430 -0.095 30 20 DBED CC(C)(CNC(=O)Cn1cnc(C#N)c1C#N)N1CCOCC1 330928507 ZNUYCNMQSFWTND-UHFFFAOYSA-N 316.365 -0.147 30 20 DBED CN(C)S(=O)(=O)CCCS(=O)(=O)N[C@@H]1CCC[C@@H]1C#N 331335188 JUHYSIDSMURFIB-GHMZBOCLSA-N 323.440 -0.120 30 20 DBED C[C@H](CC#N)NC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 338082165 ROXAUNURLJCAQB-CHWSQXEVSA-N 308.382 -0.415 30 20 DBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC(C)(O)C1 338608362 UHKWYYBCMSXTFC-JTQLQIEISA-N 323.374 -0.182 30 20 DBED N#Cc1ncn(CCNC(=O)c2cnc3c(c2)NC(=O)CO3)n1 343029328 BKPFPVYWLXKBIH-UHFFFAOYSA-N 313.277 -0.694 30 20 DBED N#Cc1ncn(CCNC(=O)CNc2ccccc2C(N)=O)n1 343040455 RWBHRQXSVXETKK-UHFFFAOYSA-N 313.321 -0.523 30 20 DBED N#CCCCCNC(=O)C(=O)N1CCN(c2cnccn2)CC1 343334291 IWUGRIRFJJXYEN-UHFFFAOYSA-N 316.365 -0.065 30 20 DBED C=CCN1CCC(NC(=O)C(=O)N(CCO)CC(F)F)CC1 343798316 YNVCGMYJHFWHPI-UHFFFAOYSA-N 319.352 -0.161 30 20 DBED CC(C)n1cc(C#N)c(NC(=O)C(=O)NC2(CO)CCC2)n1 447288605 SBEPJQNNFXPEQZ-UHFFFAOYSA-N 305.338 0.305 30 20 DBED C#CCN1CCN(C(=O)CN2CCC[C@@H]2C(=O)OCC)CC1 490973548 KWWBKVKOWZRCJT-CQSZACIVSA-N 307.394 -0.209 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@@H](CC)C(=O)OCC)CC1 491296345 LHHLQQSCZIBYIQ-CYBMUJFWSA-N 323.393 -0.531 30 20 DBED C#CCNC(=O)CN1CCN(c2cc(COC)ncn2)CC1 491395806 VFKKHAUBDPRWEG-UHFFFAOYSA-N 303.366 -0.506 30 20 DBED C#CCN1CCN(C(=O)CN(C)[C@H]2CCC(=O)N(C)C2)CC1 491640874 PHOYSUKXSJLQNJ-AWEZNQCLSA-N 306.410 -0.684 30 20 DBED CN1CCN(CC(=O)NC[C@@H]2CCCN(CC#N)C2)CC1=O 547745333 JKOOYWIPWFXKBX-ZDUSSCGKSA-N 307.398 -0.888 30 20 DBED CN(CCC#N)C[C@@H](O)CNCCCN1CCCS1(=O)=O 591732478 APSXJGMBLHCFLK-ZDUSSCGKSA-N 318.443 -0.792 30 20 DBED CCC1(CC)NC(=O)N(CC(=O)N2CC[C@@](O)(CC#N)C2)C1=O 592840871 YVPYXWCJFZOEPM-AWEZNQCLSA-N 322.365 -0.026 30 20 DBED COCCN(CCC#N)C(=O)Cn1nc2n(c1=O)CCCC2 593451227 IFVZUYWYLLBUMS-UHFFFAOYSA-N 307.354 -0.230 30 20 DBED CC[C@@H](C#N)C(=O)N(CCN1CCN(C)CC1)CC(=O)OC 593680061 HGMUMZGAMBOMPU-ZDUSSCGKSA-N 310.398 -0.215 30 20 DBED C[C@]1(CNC(=O)C(=O)N2CCN(CCC#N)CC2)CCCO1 602247898 VPVVYBIDONJOIZ-OAHLLOKOSA-N 308.382 -0.270 30 20 DBED N#C[C@H]1CN(S(=O)(=O)NCCOC[C@@H]2CCOC2)CCO1 619709589 GNSOXXPAXZKTLO-NEPJUHHUSA-N 319.383 -0.902 30 20 DBED C#C[C@@H](NS(=O)(=O)N(C)CCC(=O)OC)[C@H]1CCCO1 773052907 QVUKRQJGYPWRCD-GHMZBOCLSA-N 304.368 -0.504 30 20 DBED C=C(C)CS(=O)(=O)NC1CCN(CCS(C)(=O)=O)CC1 790017821 OEUVDTFKWMRTBZ-UHFFFAOYSA-N 324.468 -0.009 30 20 DBED CC(=O)N1CC[C@](C)(C(=O)NS(=O)(=O)CC2(C#N)CC2)C1 793203215 AXNHOWMPWBFPOF-LBPRGKRZSA-N 313.379 -0.005 30 20 DBED CC(C)S(=O)(=O)CCNS(=O)(=O)N(C)C[C@@H](C)C#N 808348664 SUSZCCJVSUFIDM-JTQLQIEISA-N 311.429 -0.265 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)NCCCc1cnn(C)n1 815053768 RKLITKOPMAJXQY-SNVBAGLBSA-N 300.388 -0.184 30 20 DBED N#CCCCS(=O)(=O)NC(=O)c1ccc(-c2nn[nH]n2)nc1 826381697 VNDUKWWYXHCPIN-UHFFFAOYSA-N 321.322 -0.375 30 20 DBED C#CCN1CCC[C@@H](NC(=O)C[C@]2(C)CCS(=O)(=O)N2)C1 829582435 MHZRIVHSANVGDM-OCCSQVGLSA-N 313.423 -0.328 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)C[C@@H](C)COC)CC1 831564734 FNCUSHWQZOTAEH-GFCCVEGCSA-N 317.411 -0.729 30 20 DBED C#CCNC(=O)[C@H](C)N1[C@H]2CC[C@H]1[C@@H](C(=O)OC)[C@@H]2C(=O)O 833365934 XYBJJAOERZALSR-KKJSVHSVSA-N 308.334 -0.539 30 20 DBED C[C@@H](OC(=O)[C@H]1CCS(=O)(=O)N1)C(=O)NC1(C#N)CCC1 845377061 XHFCMVPFEHPJDB-RKDXNWHRSA-N 315.351 -0.828 30 20 DBED COC(=O)C1(C(=O)COC(=O)[C@H](C)n2cnc(C#N)n2)CC1 848753089 FRHOQHFCWYICJW-QMMMGPOBSA-N 306.278 -0.224 30 20 DBED CCOC(=O)CON=C(C(=O)N1CCCCN1)c1cc[nH]n1 854427628 HQBOKGMAUCJHSI-UHFFFAOYSA-N 309.326 -0.180 30 20 DBED CON(C)C(=O)[C@@H](C)NC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 858993197 PUMIMWAFPIOYOZ-PWSUYJOCSA-N 309.370 -0.224 30 20 DBED C=CCC1(S(=O)(=O)NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 860772397 YHUXQVOWYFIOSO-DTWKUNHWSA-N 302.352 -0.426 30 20 DBED C#CCNCC(=O)NCCCN1C(=O)NC2(CCCC2)C1=O 912067534 DSOHIMCBKJRGPS-UHFFFAOYSA-N 306.366 -0.420 30 20 DBED C[C@@H](C(=O)NCC#CCN(C)C)N1C(=O)NC2(CCCC2)C1=O 913518545 UEWOEDZOZONNRI-LBPRGKRZSA-N 320.393 -0.079 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](N(C)C(=O)c2nnc(O)nc2O)C1 939398251 VNQIXZQSTXGHCK-HTQZYQBOSA-N 320.309 -0.885 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](NC(=O)C2CCN(C(N)=O)CC2)C1 940367257 VSMMKNKYHISBPE-CMPLNLGQSA-N 321.381 -0.346 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2cnc(O)n(C)c2=O)[C@H](C)C1 942555730 OYVWPSFLARRSPW-YPMHNXCESA-N 318.377 -0.051 30 20 DBED CCN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CCN(C(=O)CC(N)=O)C1 942728125 ABYKTYWUHRIPFW-LLVKDONJSA-N 317.349 -0.175 30 20 DBED CC#CCN1CCC2(CC1)CN(C(=O)[C@H]1CCC(=O)N1)CCO2 949051788 PMAUSTHYOHJOLZ-CQSZACIVSA-N 319.405 -0.018 30 20 DBED N#Cc1cc(C(=O)NC[C@@H]2CCN2C(=O)c2cnon2)c[nH]1 949497062 DLKFFQJUIKJSPT-JTQLQIEISA-N 300.278 -0.086 30 20 DBED C[C@@H]1CN(C(=O)c2cnn[nH]2)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 951185926 FCCIWUPXOFPCFI-PRHODGIISA-N 313.321 -0.105 30 20 DBED C#Cc1ccccc1CC(=O)N[C@@H]1CCCN(C(=O)C(N)=O)C1 951854359 VVFMKVSKAVTBTK-CQSZACIVSA-N 313.357 -0.197 30 20 DBED CC(C)N1CCO[C@@H](C(=O)N(C)C2CN(C(=O)[C@H](C)C#N)C2)C1 955078847 OHJULTSAKUBNOG-TZMCWYRMSA-N 322.409 -0.076 30 20 DBED C=C(Cl)CN1CCN(C(=O)CN2C(=O)CNC2=O)CC1 957584735 YUFQRWPHNYZOAC-UHFFFAOYSA-N 300.746 -0.565 30 20 DBED C=CCN1C[C@@H](O)[C@@H](CNC(=O)c2ccnc3c2nnn3C)C1 958351356 ZNHXKLJBTYNKHP-CMPLNLGQSA-N 316.365 -0.428 30 20 DBED C#CCCN1C[C@H](CNC(=O)c2cn(CC=C)nn2)[C@@H](O)C1 958471585 MNBNWJPFQJOCEI-JSGCOSHPSA-N 303.366 -0.490 30 20 DBED CN(C)c1ccc(C(=O)NC[C@H]2CN(CC#N)C[C@H]2O)nc1 958731754 JDBDSWMSVUSGCI-SMDDNHRTSA-N 303.366 -0.306 30 20 DBED C[C@H]1CN(C(=O)CC(N)=O)C[C@H]1CNC(=O)c1cc(C#N)c[nH]1 959411785 RAALOHCDXLGUMV-GXSJLCMTSA-N 317.349 -0.414 30 20 DBED N#CCN1C[C@H]2[C@H](NC(=O)c3cn(-c4cccnc4)nn3)[C@H]2C1 960216118 VXHVYBQDNAPOGN-IMRBUKKESA-N 309.333 -0.154 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]21 960879342 BHFJLLCMAXDZTN-FPMFFAJLSA-N 301.346 -0.002 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCOC3)C[C@@H]2O)c1 962116439 CEXPQSKECQIZDB-RTXFEEFZSA-N 318.333 -0.776 30 20 DBED COc1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)on1 962397734 YEBAZAXKXJKXJG-YIZRAAEISA-N 308.294 -0.856 30 20 DBED C=C[C@](C)(CC)C(=O)N1C[C@H](O)[C@H](NC(=O)c2ncn(C)n2)C1 962719828 XCALVNBKHFJRJF-JRPNMDOOSA-N 321.381 -0.281 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)CC)C[C@@H]2O)nn1 963303778 WVCNLKMYFJHPHJ-LOWVWBTDSA-N 321.381 -0.188 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)C1CCN(C)CC1 964237858 PZSWLIQNWUYDGJ-OCCSQVGLSA-N 322.409 -0.169 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C2CN(C(=O)[C@H]3CCOC3)C2)CC1 967245264 SLKXSEBIKOPVQU-STQMWFEESA-N 320.393 -0.462 30 20 DBED CN1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 968617451 ZFLHZJUVTKIGOB-KFWWJZLASA-N 319.405 -0.428 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)[C@@H]3CC(=O)N(C)C3)C2)C1 972406218 DQOMNXPXTAQNNK-CJNGLKHVSA-N 305.378 -0.599 30 20 DBED Cn1ccc(C(=O)N2CC[C@]3(CN(CC#N)CCO3)C2)cc1=O 972439111 VINIDMUCFGWQLG-INIZCTEOSA-N 316.361 -0.174 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)c3cnn[nH]3)C2)cn1 973436367 TZTIUOBZJGNUOO-HAQNSBGRSA-N 310.317 -0.128 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]1CN(C)C(=O)c1nnc(O)nc1O 978068634 FNRGYAOFCYRPNM-HTQZYQBOSA-N 320.309 -0.885 30 20 DBED N#CCN1C[C@@H]2CC[C@@H](NC(=O)C3CC(=O)NC(=O)C3)C[C@H]2C1 980181611 FUJUMFXHVZQXHK-WCFLWFBJSA-N 318.377 -0.221 30 20 DBED C#Cc1ccc(C(=O)N(C)C[C@@H]2CCN(C(=O)C(N)=O)C2)cn1 988278136 CSVKCXUQERWRNM-NSHDSACASA-N 314.345 -0.531 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC(NC(=O)c2[nH]cnc2C)C1 995260498 DOYFUNDEFHNKMN-ZDUSSCGKSA-N 315.377 -0.244 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)Cc2nonc2C)C1 998908157 FMIVOKYYUDNHPV-YPMHNXCESA-N 320.349 -0.161 30 20 DBED C#CCCN1CC=C(CNC(=O)[C@H]2CCS(=O)(=O)N2)CC1 1001457687 ZFJBLFGNXRMGFV-CYBMUJFWSA-N 311.407 -0.550 30 20 DBED C#CCCN1CCC(N(C)C(=O)C[C@H]2CC(=O)NC2=O)CC1 1006481516 AHKMKBVAEYYGOJ-GFCCVEGCSA-N 305.378 -0.015 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](NC(=O)Cc2nc[nH]n2)C(C)(C)C1 1008622056 DAWHKTKXVSPBGR-NXEZZACHSA-N 304.354 -0.140 30 20 DBED C[C@H](c1nnnn1C)N1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 1010478806 NFNOUCDULNYWRA-KOLCDFICSA-N 314.353 -0.025 30 20 DBED N#Cc1cc(C(=O)N2CCN(C(=O)C3(C(N)=O)CC3)CC2)c[nH]1 1011028320 VLEGWCFMGLWAOU-UHFFFAOYSA-N 315.333 -0.564 30 20 DBED N#Cc1cc(C(=O)N2C[C@H]3C(NC(=O)c4nc[nH]n4)[C@@H]3C2)c[nH]1 1013584930 YKGUUCNJYFXIHR-NXEZZACHSA-N 311.305 -0.495 30 20 DBED C[C@@H]1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)CN1C(=O)CC(N)=O 1018090771 APVHDXJPRUXETN-KOLCDFICSA-N 317.349 -0.129 30 20 DBED C=CCN1CC[C@@H](N[C@H]2CCN(C(=O)Cn3cccn3)C2)C1=O 1018503752 MYDGOIAMRAPDIT-UONOGXRCSA-N 317.393 -0.140 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2cc[nH]n2)C1 1023263248 CNRDGFVQKJITAT-VXGBXAGGSA-N 306.366 -0.148 30 20 DBED C=C[C@@](C)(CC)C(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2cncn2)C1 1025730353 ZBZWQIMJPVYSLM-JMSVASOKSA-N 321.381 -0.432 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)c3cncn3C)C2)C1=O 1030622117 GSDJFUUZSJLLQT-LBPRGKRZSA-N 303.366 -0.379 30 20 DBED COc1cc(OC)nc(C(=O)N[C@@H]2[C@H]3C[C@H]2N(CC#N)C3)n1 1037466397 BAALAHJNDAWKFG-YGOYTEALSA-N 303.322 -0.180 30 20 DBED C#CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)Cn1c(C)cc(C)nc1=O 1037641121 NQIBMDDJVYFYBK-VNHYZAJKSA-N 300.362 -0.318 30 20 DBED N#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H]1NC(=O)NC1=O 1039468184 XNOSKXQBGHLREU-WOPDTQHZSA-N 319.365 -0.437 30 20 DBED CC[C@@H](OC)C(=O)N1CC[C@@](O)(CNC(=O)C#CC2CC2)C1 1039677682 KYEZINVWKXAMBC-CZUORRHYSA-N 308.378 -0.096 30 20 DBED C=C(C)CCC(=O)NC[C@@]1(O)CCN(C(=O)C2(C(N)=O)CC2)C1 1039986268 BEIVSSWKUBQHOH-HNNXBMFYSA-N 323.393 -0.312 30 20 DBED Cn1cc(C(=O)N2C[C@@H]3CCC[C@H](C2)N3CC#N)c(O)nc1=O 1039998901 FGNHQFPCVKAQKF-PHIMTYICSA-N 317.349 -0.312 30 20 DBED CN1CCC[C@@H]1C(=O)NC[C@@]1(O)CCN(C(=O)C#CC2CC2)C1 1040494511 FBHMVJZOTAEIFE-PBHICJAKSA-N 319.405 -0.426 30 20 DBED Cc1nnc(CC(=O)N2CC[C@@](O)(CNC(=O)[C@H](C)C#N)C2)o1 1040759610 BQVABRLPVBIPIV-YMTOWFKASA-N 321.337 -0.840 30 20 DBED C[C@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)c2ccc(C#N)[nH]2)C1 1040763053 NHGFQJDYZYMYCG-MEBBXXQBSA-N 315.333 -0.261 30 20 DBED CC(=O)NC(C)(C)C(=O)N1CC[C@](O)(CNC(=O)[C@@H](C)C#N)C1 1040764678 XOCXRTMXSZCAEC-BONVTDFDSA-N 324.381 -0.860 30 20 DBED C[C@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)COCC(F)F)C1 1040766863 SULWIQKDPLJXEX-NOZJJQNGSA-N 319.308 -0.493 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(O)(CNC(=O)CCOC)C1 1041051601 ZCLGPKMNMQCDIQ-ZDUSSCGKSA-N 300.355 -0.961 30 20 DBED N#CCSCC(=O)N1CC(O)(CNC(=O)c2ccccn2)C1 1041164481 AVDMJHVRESFQOU-UHFFFAOYSA-N 320.374 -0.359 30 20 DBED CCCOCC(=O)N1CC(O)(CNC(=O)c2c[nH]c(C#N)c2)C1 1042669153 HJXHXFNTDIWPGF-UHFFFAOYSA-N 320.349 -0.384 30 20 DBED O=C(C#CC1CC1)NCC1(O)CN(C(=O)c2cnsn2)C1 1042959003 SIKYVYWHSGHBSY-UHFFFAOYSA-N 306.347 -0.745 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2coc(C)c2)C1 1043039150 DBJZTJWLITVIPH-LBPRGKRZSA-N 320.345 -0.071 30 20 DBED C=CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)CCOCC)C1 1043571022 LSBXNHVYTQYVGX-LBPRGKRZSA-N 314.382 -0.306 30 20 DBED C=CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)c2cncn2C)C1 1043575378 KDTOPOUKKPRWKJ-LLVKDONJSA-N 322.365 -0.686 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)C2(C)CC2)C1 1043650215 RLIXJVGRAGSDNT-ZDUSSCGKSA-N 319.405 -0.426 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)Cc3ccoc3)C2)nn1 1043921864 QJQDRPUBXFRQPC-OLZOCXBDSA-N 313.317 -0.150 30 20 DBED N#Cc1nccnc1N1C[C@H](O)[C@H](NC(=O)Cc2cnoc2)C1 1044410458 HQSDJMRBBYINCM-NEPJUHHUSA-N 314.305 -0.755 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)c2nnn(C)c2C)C1 1044455351 BKYJGKPTUXMVDE-UHFFFAOYSA-N 321.381 -0.361 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)CCn2cccc2)C1 1045546934 SSCMTMKJWBWBFL-GFCCVEGCSA-N 304.350 -0.273 30 20 DBED C[C@@H]1CCN(CC(=O)NCC2(O)CN(C(=O)[C@H](C)C#N)C2)C1 1046677077 OTDJGGFQOQUGSO-VXGBXAGGSA-N 308.382 -0.823 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCC1(O)CN(C(=O)C(F)F)C1 1046820921 YVVCCEOEFLVZIR-BDAKNGLRSA-N 304.293 -0.468 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C(N)=O)cc2)C1 1047623453 MABCRLCHODFIOB-GJZGRUSLSA-N 315.373 -0.074 30 20 DBED C#CCCCC(=O)N(C)[C@H]1CN(C(=O)c2cncn2C)C[C@@H]1O 1048753811 GWGVFYDMPIACQJ-KBPBESRZSA-N 318.377 -0.133 30 20 DBED CN(C(=O)C#CC1CC1)[C@H]1CN(C(=O)[C@@H]2CCCOC2)C[C@@H]1O 1048821403 NCHFULIJQNDCDV-ILXRZTDVSA-N 320.389 -0.144 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cnco2)C1 1049121195 GODUGJMKZJKASM-RYUDHWBXSA-N 305.334 -0.022 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)C2=COCCC2)C[C@@H]1O 1049388044 FFCDNCVWERBMES-WXHSDQCUSA-N 307.350 -0.130 30 20 DBED N#CCN1CCOC[C@H]1CNC(=O)c1cnc2nccn2c1 1051028843 ZLYJSAGJJZUARG-GFCCVEGCSA-N 300.322 -0.317 30 20 DBED CC(C)N1C(=O)CC[C@H]1C(=O)NC[C@@H]1COCCN1CC#N 1051085681 HQCNBSMUFSLCLN-OLZOCXBDSA-N 308.382 -0.274 30 20 DBED C=CCN1CCOC[C@H]1CNC(=O)[C@H]1COCCN1C(C)=O 1051251101 MOYBJWGIXSRORA-ZIAGYGMSSA-N 311.382 -0.763 30 20 DBED N#CCN1CCOC[C@H]1CNC(=O)[C@H]1CCc2nncn2C1 1051256695 ZJMVNYMMJVDMCY-NWDGAFQWSA-N 304.354 -0.819 30 20 DBED N#Cc1nccc(N2CC[C@H](NC(=O)c3cn[nH]c3)[C@H](O)C2)n1 1051627009 WVSPELNFKARMDD-WDEREUQCSA-N 313.321 -0.559 30 20 DBED C#CCCN1CCN([C@@H]2CCN(C(=O)Cn3cncn3)C2)CC1 1052115190 USMJXLNYVQPGTG-OAHLLOKOSA-N 316.409 -0.480 30 20 DBED C#CCC1(C(=O)NC[C@@H]2CN(C(=O)C(N)=O)C[C@H]2C)CCC1 1053307274 UELPBEXSPUUFBI-VXGBXAGGSA-N 305.378 -0.124 30 20 DBED Cn1c(C(=O)N2CCOC3(CN(CC#N)C3)C2)cccc1=O 1053421573 MPQYYABUKRPBFV-UHFFFAOYSA-N 302.334 -0.564 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)Cc3nnc(C)o3)CO2)C1 1053794001 BVJZWULTXNSBIK-LBPRGKRZSA-N 304.350 -0.097 30 20 DBED C=C(C)CN1CC2(C[C@@H](NC(=O)CN3CCOCC3=O)CO2)C1 1053831265 YJOOMYIQLFERAW-CYBMUJFWSA-N 323.393 -0.619 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)[C@@H]3C[C@H]3c3cnc[nH]3)CO2)C1 1053832348 IFUCRCNUOSAWJR-QJPTWQEYSA-N 301.350 -0.004 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)c3ccnn3CCOC)CO2)C1 1053838585 GTCJHIHMBDXWGJ-ZDUSSCGKSA-N 318.377 -0.264 30 20 DBED C=CCN1CC2(C[C@H](NC(=O)c3ccc4nnnn4c3)CO2)C1 1053869294 JDZCPYBLWRYGLL-LBPRGKRZSA-N 314.349 -0.117 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)[C@]3(C)CNC(=O)C3)CO2)C1 1053879353 OLYZSFXVNNEGPZ-DOMZBBRYSA-N 305.378 -0.505 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)c3cc(C(N)=O)co3)CO2)C1 1053921690 LQJQPNXKIHVACQ-LLVKDONJSA-N 303.318 -0.415 30 20 DBED C=CCCC(=O)N[C@]1(CO)CCCN(C(=O)Cc2nc[nH]n2)C1 1055823691 IDYUQCBWHAQAMH-OAHLLOKOSA-N 321.381 -0.217 30 20 DBED C=CCCC(=O)N1CCC[C@@](CO)(NC(=O)[C@H]2CCNC2=O)C1 1056037222 YRVNCMHEAJUPIU-BLLLJJGKSA-N 323.393 -0.442 30 20 DBED Cn1nccc1C(=O)N[C@H]1[C@@H]2CN(c3cncc(C#N)n3)C[C@@H]21 1056136757 AJVSBHMKWVTQFL-YABSGUDNSA-N 309.333 -0.054 30 20 DBED CN(c1nccnc1C#N)[C@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 1057010789 FFCGSQCGQCXKOY-JTQLQIEISA-N 314.349 -0.349 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)c1cccnc1 1057199507 VEYHCKRJIVDIIQ-UHFFFAOYSA-N 307.350 -0.165 30 20 DBED C=C[C@@](C)(O)CC(=O)N(CCO)CCNC(=O)c1c[nH]nc1C 1057451345 JMVIEZRYFOCCHQ-OAHLLOKOSA-N 324.381 -0.404 30 20 DBED N#Cc1ccc(C(=O)NCCN(CCO)C(=O)C#CC2CC2)[nH]1 1057531531 SLGFIAJORRYFCA-UHFFFAOYSA-N 314.345 -0.150 30 20 DBED CCc1ocnc1C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N 1058652977 JLGXXDPIHAYSMI-JTQLQIEISA-N 308.338 -0.053 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)[C@@H](C)n1cccn1 1058653040 KXUAQQPXMQZEBF-VXGBXAGGSA-N 307.354 -0.459 30 20 DBED N#Cc1ccc(N2C[C@@H]3CC[C@H](C2)N3C(=O)c2cnn[nH]2)nn1 1058815611 JFBXXNPPLRUVJA-PHIMTYICSA-N 310.321 -0.040 30 20 DBED N#Cc1cnc(N[C@H]2CCN(C(=O)[C@@H]3COC(=O)N3)C2)cn1 1058883653 ONXHTNRIBDUDRG-WPRPVWTQSA-N 302.294 -0.531 30 20 DBED C=CCOCC(=O)NCC[C@H]1CCN(C(=O)Cn2cnnn2)C1 1059129987 TXPHWCYRJYXRGJ-LBPRGKRZSA-N 322.369 -0.770 30 20 DBED N#Cc1cncc(N[C@H]2C[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)n1 1059413778 YBTSPHLWGSBWCI-OYBPUVFXSA-N 300.322 -0.471 30 20 DBED Cn1nccc1CC(=O)N[C@H]1C[C@@H](N=c2cc[nH]c(C#N)n2)C1 1059621813 NISJFGKPNSPTNN-PHIMTYICSA-N 311.349 -0.195 30 20 DBED C[C@@H](C#N)C(=O)NCC[C@H]1CCN(C(=O)Cn2nccn2)C1 1059710842 WTHLSYKFTSJQCB-RYUDHWBXSA-N 304.354 -0.207 30 20 DBED Cc1nnsc1C(=O)N1CCOC[C@@H]1CNC(=O)[C@@H](C)C#N 1061845478 IEKLOWHENAFJHO-WPRPVWTQSA-N 323.378 -0.037 30 20 DBED Cn1cnc(C(=O)N2C[C@@H]3CC[C@H](C2)N3c2ccnc(C#N)n2)n1 1061958964 PPMMVKRFMPMEDX-PHIMTYICSA-N 324.348 -0.030 30 20 DBED Cn1nnc(C(=O)N2C[C@@H]3CC[C@H](C2)N3c2ccc(C#N)nc2)n1 1062015665 PYBJWJAEMQBODR-BETUJISGSA-N 324.348 -0.030 30 20 DBED N#Cc1cnc(N2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CCNC2=O)cn1 1062556224 WENBVPBMUXAYQU-SRVKXCTJSA-N 312.333 -0.726 30 20 DBED C#CCNC(=O)CC(=O)NC1(CNC(=O)COCCC)CCC1 1062664014 SUSDBVMNGTZUOX-UHFFFAOYSA-N 323.393 -0.292 30 20 DBED CN(C(=O)[C@H]1CCC(=O)N1)[C@H]1CCN(c2ccc(C#N)nn2)C1 1062898977 CXJBEUPDVZYUQH-NWDGAFQWSA-N 314.349 -0.336 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CN(C(=O)c2cnccn2)CCO1 1064789344 FYSFFKKRSGDSEV-GHMZBOCLSA-N 303.322 -0.407 30 20 DBED CC(C)C#CC(=O)N1CCO[C@@H](CNC(=O)[C@H](C)CC(N)=O)C1 1065126460 QBRATGRTWZMDKW-OLZOCXBDSA-N 323.393 -0.499 30 20 DBED Cc1cn(C)nc1C(=O)N1CCO[C@@H](CNC(=O)[C@@H](C)C#N)C1 1065138014 HOYRDPYVVINERA-JQWIXIFHSA-N 319.365 -0.155 30 20 DBED C=CCCO[C@H](C)C(=O)N1CCC[C@@H](NC(=O)C(N)=O)CC1 1066469460 BMRQTCFMNIKHDR-VXGBXAGGSA-N 311.382 -0.050 30 20 DBED C#CCCCCC(=O)NC[C@@H]1CCC2(CN(C(=O)C(N)=O)C2)O1 1068559848 GWFUKHAWLMKCSI-LBPRGKRZSA-N 321.377 -0.459 30 20 DBED C#CCCCCC(=O)N[C@@H]1COC2(C1)CN(C(=O)C(N)=O)C2 1068822359 YHDWYWICCMTCBX-NSHDSACASA-N 307.350 -0.849 30 20 DBED COCC(=O)NC1(CNC(=O)c2cc(C#N)c[nH]2)CCOCC1 1069944117 XUWRJBPRIFEEQI-UHFFFAOYSA-N 320.349 -0.072 30 20 DBED Cc1n[nH]c(C)c1C(=O)N1C[C@H](n2ccnn2)[C@H](NCC#N)C1 1070296299 FVDMOPWPXFDINF-NEPJUHHUSA-N 314.353 -0.203 30 20 DBED Cn1cnc([C@@H]2CN(C(=O)c3cn(C)nn3)C[C@H]2NCC#N)c1 1070491453 LPFAKBMKKVVGMJ-CMPLNLGQSA-N 314.353 -0.730 30 20 DBED CC#CCN1CCNC(=O)CCN(C(=O)[C@H]2CCCO2)CC1 1070936798 UEMRGYCPCBFTAU-CQSZACIVSA-N 307.394 -0.161 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)c2cn(C)c(O)n2)CC1 1070994924 JVBFQAPNFCAQMR-UHFFFAOYSA-N 319.365 -0.977 30 20 DBED C[C@H]1C[C@H](C(=O)N2CCC(=O)NCCN(CC#N)CC2)CCO1 1071010379 IYDAMRHOPOCGJN-UONOGXRCSA-N 322.409 -0.024 30 20 DBED C[C@H]1CN(C(=O)CCc2nc[nH]n2)C[C@@]2(CCN(CC#N)C2)O1 1071151647 LJEBGXBXCLJODF-WFASDCNBSA-N 318.381 -0.047 30 20 DBED C=CCCC(=O)N1C[C@H](C)[C@@H](NC(=O)C2CC(=O)NC(=O)C2)C1 1071786696 HXIJFYMBBNGUBP-JQWIXIFHSA-N 321.377 -0.032 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)c2cnco2)C1 1071940105 SYOKNSXFZRTSSY-MNOVXSKESA-N 318.333 -0.609 30 20 DBED C[C@@H]1CC[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)CN1CC#N 1071989464 PUSZDCOGRVSASP-GHMZBOCLSA-N 307.354 -0.627 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCN(CCN3C(=O)CNC3=O)C2)C1 1072552184 NDBDWLFTVCVLOD-LLVKDONJSA-N 319.365 -0.768 30 20 DBED C#CCOCCC(=O)NC1(C)CCN(C(=O)c2cnn[nH]2)CC1 1073143089 CERYFRICXJUWAD-UHFFFAOYSA-N 319.365 -0.045 30 20 DBED COC(=O)NCC(=O)NC1(C)CCN(C(=O)[C@@H](C)C#N)CC1 1073229115 QGIJHLSAANSKFF-JTQLQIEISA-N 310.354 -0.001 30 20 DBED COCc1nn(C)cc1C(=O)NC[C@H]1CN(CC#N)CCCO1 1073667487 HMVFYWFMNHMZDT-LBPRGKRZSA-N 321.381 -0.089 30 20 DBED C#CCCN1CCCO[C@@H](CNC(=O)[C@H]2CCN(C)C2=O)C1 1073732562 REBLPWWUXGUPOE-UONOGXRCSA-N 307.394 -0.305 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)CC[C@H]1NC(=O)CCNC(N)=O 1073954527 KTEVTMUZLBKFSB-DGCLKSJQSA-N 320.393 -0.189 30 20 DBED C=CCOCC(=O)N1C[C@H]2CCN(C(=O)CC(N)=O)CC[C@H]2C1 1074311686 ZHRFYJAJFRTKCP-BETUJISGSA-N 323.393 -0.239 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H](N[C@@H](C)C(N)=O)[C@@H]2C)nn1 1074949430 AMWJFQSEVFFLGX-DCAQKATOSA-N 306.370 -0.470 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)c1ccc[nH]1 1075590493 VCHDVRAYBWWRDQ-NSHDSACASA-N 304.350 -0.221 30 20 DBED CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)CSCC#N 1076219938 IXRTZGBGWNVUMM-JTQLQIEISA-N 314.411 -0.220 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2CN(C[C@H]3CCOC3)C[C@H]2O)c1 1077649823 HFRBYQPCXYYCIV-FVQBIDKESA-N 315.373 -0.126 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)CN(C)CCC 1077661790 IOOROIJQRGUMJM-ZDUSSCGKSA-N 324.425 -0.521 30 20 DBED C#CCNC(=O)CC(=O)N(CC)C1CN(C(=O)C[C@@H](C)OC)C1 1079644959 ZBFHWRJKFQGTCD-GFCCVEGCSA-N 323.393 -0.390 30 20 DBED CCN(C(=O)C[C@@H]1CC(=O)NC1=O)C1CN(C(=O)[C@H](C)C#N)C1 1080071642 DADFKEXNBOXOAK-ZJUUUORDSA-N 320.349 -0.742 30 20 DBED CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)CN2CCOCC2)C1 1080410984 BPSVHYAGOOYUJO-LBPRGKRZSA-N 308.382 -0.462 30 20 DBED N#CCN[C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1c1ccccc1 1081085962 XVZNYEZZJNHJMZ-UONOGXRCSA-N 311.349 -0.219 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2cncn2C)C[C@@H]1O 1081347605 XXXYVAAVQMGTOZ-YPMHNXCESA-N 322.365 -0.828 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(C(=O)c2n[nH]cc2F)C[C@@H]1O 1081471473 NXZFNBULIXQMSK-PWSUYJOCSA-N 320.324 -0.489 30 20 DBED COCCN1C[C@@H](C(=O)N2C[C@@H](NCC#N)[C@H](C)C2)CC1=O 1082542020 UQFDLEDIROZYQF-FRRDWIJNSA-N 308.382 -0.559 30 20 DBED C[C@@H]1CN(C(=O)c2cn(C[C@H]3CCOC3)nn2)C[C@H]1NCC#N 1082829546 AEXBFGCMTPPGFB-JHJVBQTASA-N 318.381 -0.112 30 20 DBED CNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1c[nH]c(C#N)c1 1083054630 QONMCVHJKXLHFD-QWHCGFSZSA-N 317.349 -0.842 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cnn(C)c1N 1083057992 KTODFKOVFBNJHY-QWHCGFSZSA-N 303.366 -0.449 30 20 DBED Cn1cc(C(=O)N[C@@H]2CN(CC#N)C[C@@H]2O)c(C(F)(F)F)n1 1083816159 DDUCJLJWXKECHU-BDAKNGLRSA-N 317.271 -0.263 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)c2cn([C@H]3CCOC3)nn2)C1 1083929820 NHPYMAJBSPKMDS-SCRDCRAPSA-N 319.365 -0.962 30 20 DBED N#Cc1cc(C(=O)N2C[C@H]3CCN([C@H]4CCNC4=O)C[C@H]32)c[nH]1 1084293321 AEAQZDPYAZJVEM-DDTOSNHZSA-N 313.361 -0.079 30 20 DBED C#CCN[C@H]1C[C@H](CNC(=O)[C@@H]2CCc3nnc(O)n3C2)C1 1086405177 BSHKVUPAXYRRMV-IJLUTSLNSA-N 303.366 -0.336 30 20 DBED CN1CC[C@@H](C(=O)NC[C@H]2C[C@H](NCC#N)C2)S1(=O)=O 1086503173 GXBJDLSGYKBUAP-DCAQKATOSA-N 300.384 -0.972 30 20 DBED N#CCN1C[C@H]2CC[C@H]1[C@@H]1CN(C(=O)CCn3cnnn3)C[C@@H]21 1087399863 YLAXTCOZTAOBSF-RQJABVFESA-N 315.381 -0.244 30 20 DBED CCN(c1ccc(C#N)cn1)[C@H](C)CNC(=O)CNC(N)=O 1089572007 SHRHZBXQIXRAHQ-SNVBAGLBSA-N 304.354 -0.047 30 20 DBED CCN(c1ccc(C#N)nn1)[C@H](C)CNC(=O)Cn1nccn1 1089697237 MBIWUJPWBIKHDU-LLVKDONJSA-N 314.353 -0.029 30 20 DBED CCCOCC(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1O 1090380761 KLOCNMZHIFWQHD-VXGBXAGGSA-N 305.338 -0.559 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2cc(OC)n(C)n2)[C@@H](O)C1 1090420062 FGXKJORVTSTPEB-AAEUAGOBSA-N 306.366 -0.383 30 20 DBED CCCN(C)CC(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1O 1090464727 QCJKKKXIVJYLOD-CHWSQXEVSA-N 318.381 -0.644 30 20 DBED C=C(Cl)CN1CC[C@@H](NC(=O)c2nnn(C)n2)[C@H](O)C1 1090495425 HFAYMDPOWQORDO-RKDXNWHRSA-N 300.750 -0.872 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2nc3ncccn3n2)[C@@H](O)C1 1090658314 WAPHVIGQLYDYSO-NEPJUHHUSA-N 314.349 -0.687 30 20 DBED C=CCCn1cc(C(=O)NCC2CC(N[C@@H](C)C(N)=O)C2)nn1 1091273914 CPOOBYJFJXEAHB-UNXYVOJBSA-N 320.397 -0.174 30 20 DBED C=CCN1C[C@@H]2CN(C(=O)c3cn(CC(N)=O)nn3)C[C@]2(C)C1 1092301376 GARXFLKLSHDWQS-ABAIWWIYSA-N 318.381 -0.657 30 20 DBED CNC(=O)CN1CC(OC2CCN(C(=O)[C@@H](C)C#N)CC2)C1 1093517600 SNOBWZMGZGICBB-NSHDSACASA-N 308.382 -0.416 30 20 DBED CC(=O)N1CC(C(=O)NCCN=c2cc(C)[nH]cc2C#N)C1 1093576833 VEYXSVRACQYTPB-UHFFFAOYSA-N 301.350 -0.310 30 20 DBED CCCS(=O)(=O)CC(=O)NCCN=c1cc[nH]cc1C#N 1093661190 PPEKLHSKOCVEMN-UHFFFAOYSA-N 310.379 -0.272 30 20 DBED C[C@H](CS(C)(=O)=O)C(=O)NCCNc1cnc(C#N)cn1 1093680874 HSYQOEMUEZFJIS-SECBINFHSA-N 311.367 -0.443 30 20 DBED C#CCCN1CC(n2cc(CNC(=O)c3cncnc3)nn2)C1 1094287989 ZVVOGBPSJBGNOZ-UHFFFAOYSA-N 311.349 -0.122 30 20 DBED C=C(C)CN1CC(N2C[C@@H](NC(=O)Cn3cncn3)CC2=O)C1 1094813790 RGNRZGHSAFJQKN-LBPRGKRZSA-N 318.381 -0.745 30 20 DBED CNC(=O)NCC(=O)NCCCN(C)c1ccc(C#N)cn1 1095763122 YDINVOIJEVVBIK-UHFFFAOYSA-N 304.354 -0.175 30 20 DBED CN(C(=O)CC(N)=O)C1CCN(c2cncc(C#N)n2)CC1 1096099601 RZBNZUQZBIMUMF-UHFFFAOYSA-N 302.338 -0.349 30 20 DBED N#Cc1nccnc1N1CC[C@H](NC(=O)CCc2nc[nH]n2)C1 1096367314 NFPMRPCFSAGHAV-JTQLQIEISA-N 312.337 -0.206 30 20 DBED CNC(=O)C1(C(=O)N[C@H]2C[C@@H](Nc3cnc(C#N)cn3)C2)CC1 1097197958 UQLAZMNZNSVHQJ-AOOOYVTPSA-N 314.349 -0.066 30 20 DBED Cc1nsc(N[C@H](C)CNC(=O)Cn2cnnn2)c1C#N 1097695254 BJXRWCOXDKWOEO-SSDOTTSWSA-N 306.355 -0.074 30 20 DBED C[C@@H](CNC(=O)COCCN(C)C)Nc1cncc(C#N)n1 1097953370 BECAATQQANUPMT-NSHDSACASA-N 306.370 -0.157 30 20 DBED C=CCN[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)C[C@H]1C(F)(F)F 1099300255 WCEONCDGTPUXGM-HRDYMLBCSA-N 306.288 -0.167 30 20 DBED CC(=O)NC(C)(C)C(=O)NCC[C@@H](C)N=c1cc[nH]c(C#N)n1 1099326571 QPINURFVMJUKMN-SNVBAGLBSA-N 318.381 -0.008 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2ncoc2C)[C@H](O)C1 1099713157 UDOMGZBPSAGDFC-QWHCGFSZSA-N 307.350 -0.202 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2n[nH]c(C)c2C)[C@@H](O)C1 1099753873 BMPBHHVBIHVBJJ-KGLIPLIRSA-N 320.393 -0.159 30 20 DBED C#CCCCC(=O)N[C@@H]1CCN(CCN2CCNC2=O)C[C@@H]1O 1099804917 UIGZBIZMSUDVGN-KGLIPLIRSA-N 322.409 -0.634 30 20 DBED C=C(Cl)CN1CC[C@@H](NC(=O)C2(C(N)=O)CC2)[C@@H](O)C1 1099978741 KQEGBKSVJADCNQ-ZJUUUORDSA-N 301.774 -0.444 30 20 DBED COCC#CCN1CC[C@H](NC(=O)Cn2ccc(C)n2)[C@H](O)C1 1100005586 FDXQHVFULSCACX-LSDHHAIUSA-N 320.393 -0.607 30 20 DBED C=CCC(C)(C)C(=O)N[C@@H]1CCN(CC(=O)NCC#N)C[C@@H]1O 1100021136 YPCQVSJVAQJTQU-OLZOCXBDSA-N 322.409 -0.220 30 20 DBED Cc1cc(N(C)CCNC(=O)[C@@H]2COC(=O)N2)c(C#N)cn1 1100049341 BMTOOKMNFOXEAM-NSHDSACASA-N 303.322 -0.078 30 20 DBED C=CCCN1CC[C@@H](NC(=O)COCc2nncn2C)[C@@H](O)C1 1100057959 LDJGTUOQYQFKIG-OLZOCXBDSA-N 323.397 -0.541 30 20 DBED CN(CCNC(=O)CCCn1ccnn1)c1ccc(C#N)nn1 1100179178 MVIMUBCDYXHAPH-UHFFFAOYSA-N 314.353 -0.027 30 20 DBED C=CCn1cc(C(=O)NCC2CC(NCC(=O)NCC)C2)nn1 1100739014 DDFDGTBBWDTGDA-UHFFFAOYSA-N 320.397 -0.302 30 20 DBED N#Cc1cnc(N2CCC[C@H]2CNC(=O)Cn2cnnn2)cn1 1100776222 BNIKWZYOEDTNRI-NSHDSACASA-N 313.325 -0.880 30 20 DBED C#CCCNC1CC(CNC(=O)COCc2nncn2C)C1 1100813644 JFDBBAJDDSIHGE-UHFFFAOYSA-N 305.382 -0.161 30 20 DBED CCc1nc(C#N)cc(N2CCC[C@@H]2CNC(=O)C(N)=O)n1 1100894046 OORXPBPJZBKKKQ-SNVBAGLBSA-N 302.338 -0.519 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1CNC(=O)C[C@@H]1CCOC1 1101845402 WMEXRKWVPCGCJY-HZSPNIEDSA-N 322.409 -0.263 30 20 DBED C#CCNC(=O)CC(=O)N(C)[C@H]1CCN(c2ccnc(C)n2)C1 1102693821 NPGAYLSTGOOQMD-ZDUSSCGKSA-N 315.377 -0.038 30 20 DBED Cc1cc(=NC[C@H](C)CNC(=O)CNC(N)=O)c(C#N)c[nH]1 1103869278 CEVQWUPBEIKOCK-VIFPVBQESA-N 304.354 -0.484 30 20 DBED CC(=O)N1CC(C(=O)NC[C@@H](C)CN=c2cc[nH]c(C#N)n2)C1 1103941172 HRQBWXONBLQBNC-JTQLQIEISA-N 316.365 -0.587 30 20 DBED C[C@H](CNC(=O)Cn1ncnn1)CNc1nccnc1C#N 1104095488 WRLYSYFMCCBPOQ-SECBINFHSA-N 301.314 -0.801 30 20 DBED CC(=O)NCC(=O)N(C)CCN(C)c1nc(C)cc(C#N)n1 1105317485 AUJBFYLSNFEQIK-UHFFFAOYSA-N 304.354 -0.313 30 20 DBED CC(=O)N[C@H](C)C(=O)NC[C@H](O)CN=c1cc(C)[nH]cc1C#N 1105735717 YAPLDWSNOBRLIC-ZWNOBZJWSA-N 319.365 -0.903 30 20 DBED C=CCOCC(=O)NC[C@H](O)CNc1nc(C)cc(C#N)n1 1105748739 ZCWHOLACOIZIBW-LBPRGKRZSA-N 305.338 -0.252 30 20 DBED Cc1nc(NC[C@@H](O)CNC(=O)c2ncn(C)n2)ccc1C#N 1105815420 ITIPBGWAKDYRHX-LLVKDONJSA-N 315.337 -0.407 30 20 DBED C[C@@H]1CN(C(=O)c2cn(C)cn2)C[C@H]1CNCC(=O)NCC#N 1106008564 VQIDNAGZBKJZFB-VXGBXAGGSA-N 318.381 -0.642 30 20 DBED COc1nc(C(=O)NC[C@@H](O)CNc2cncc(C#N)n2)co1 1106050365 QSXUYDXWACFYAV-VIFPVBQESA-N 318.293 -0.452 30 20 DBED C[C@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)c1cnn(C)c1N 1106296223 LDCNINXUUPBRHI-SECBINFHSA-N 314.353 -0.294 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1C 1106668775 PHPXRJOZCQWUDA-SYQHCUMBSA-N 307.394 -0.558 30 20 DBED C#CCN1CC(n2cc(CNC(=O)Cc3cnn(C)c3)nn2)C1 1107142821 RARHJSHXXFCHER-UHFFFAOYSA-N 313.365 -0.640 30 20 DBED CNC(=O)NCCC(=O)NC/C=C\CNc1ccc(C#N)nn1 1107151720 PWDSWIFOFGZNEV-IHWYPQMZSA-N 317.353 -0.248 30 20 DBED N#Cc1ccc(NC/C=C/CNC(=O)[C@@H]2COC(=O)N2)nn1 1107176443 YLBUYCBPYUTVPD-YOLVWIGZSA-N 302.294 -0.459 30 20 DBED C#CCNC(=O)CN1CCO[C@@](C)(CNC(=O)[C@@H](F)CC)C1 1108124879 UIWGSBQFODRZAU-WFASDCNBSA-N 313.373 -0.309 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)[C@H]1CCN(C)C(=O)C1 1108211929 LDGZADHQSWVVLW-MNOVXSKESA-N 316.365 -0.445 30 20 DBED C[C@H](CN(C)c1cncc(C#N)n1)NC(=O)[C@H]1CCCC(=O)N1 1109131409 JINKELKCZCQARP-ZYHUDNBSSA-N 316.365 -0.042 30 20 DBED N#Cc1cccnc1N1C[C@H]2C[C@H]1[C@H]2NC(=O)C1(C(N)=O)CC1 1109740860 YJMYQMGRGLLNSV-WOPDTQHZSA-N 311.345 -0.088 30 20 DBED C[C@@H](CC(N)=O)C(=O)NCC1(Nc2ccc(C#N)nn2)CC1 1110298103 GQXDPJMCQMMOFI-VIFPVBQESA-N 302.338 -0.080 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)CCc2cnc[nH]2)CC1 1112938528 LQWLJSMTAFYNOT-ZDUSSCGKSA-N 317.393 -0.376 30 20 DBED C[C@@H](N=c1cc[nH]cc1C#N)[C@@H](C)NC(=O)CCNC(N)=O 1113038676 JVJNYENEIXAQCY-NXEZZACHSA-N 304.354 -0.261 30 20 DBED N#CCNC(=O)CN1C[C@@H]2C(NC(=O)C3CCOCC3)[C@H]2C1 1113768969 CWQPQUBQBHLGIP-RYUDHWBXSA-N 306.366 -0.901 30 20 DBED C[C@@H](CNC(=O)[C@]1(C)CCC(=O)N1)N(C)c1cnc(C#N)cn1 1113867401 PKEQEINJUACQKZ-BONVTDFDSA-N 316.365 -0.042 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@H]1[C@@H]2CN(Cc3nnn(C)n3)C[C@@H]21 1114194841 WNZGQBDLGCEWGN-PJQZNRQZSA-N 306.370 -0.916 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3ccsn3)[C@H]2C1 1114447665 SPCVYPOEJBSFIO-IWIIMEHWSA-N 304.375 -0.448 30 20 DBED N#Cc1cncc(N2C[C@H]3[C@H](CNC(=O)CC(N)=O)[C@H]3C2)n1 1114547047 OYTWDGGEWTXWCK-RTCCRHLQSA-N 300.322 -0.978 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)C3CCN(C)CC3)[C@@H]2C1 1114773802 CGGOQINKBOCLAA-ZIAGYGMSSA-N 320.437 -0.323 30 20 DBED CS(=O)(=O)C1(C(=O)N[C@H]2[C@@H]3CN(CC#N)C[C@@H]32)CCCC1 1114969628 ZKKVTHDZYCKIOZ-GDNZZTSVSA-N 311.407 -0.086 30 20 DBED C[C@@H](CCCNc1ccc(C#N)nn1)NC(=O)[C@@H]1CNC(=O)N1 1115062502 UPYJBGHEDMJKEB-ONGXEEELSA-N 317.353 -0.274 30 20 DBED C=CCCOCC(=O)N[C@H]1[C@@H]2CN(Cc3nnnn3C)C[C@@H]21 1115323990 JFDWDOKOYLRKMH-YABSGUDNSA-N 306.370 -0.651 30 20 DBED C[C@@H](CN(C)C(=O)[C@H]1CN(C)CCO1)N=c1cc[nH]cc1C#N 1115664300 MRXBMLVXPKHJRV-SWLSCSKDSA-N 317.393 -0.035 30 20 DBED CC(=O)NCCCOC(=O)CCN/C(O)=C1\N=CC=CC1=O 1116120712 YSLNYFJFBGWRDJ-BUHFOSPRSA-N 309.322 -0.028 30 20 DBED C#CCNC(=O)C1CCN(C(=O)C(=O)N[C@H]2CO[C@H](C)C2)CC1 1118232878 VQVQUOJKIIQYMS-DGCLKSJQSA-N 321.377 -0.732 30 20 DBED C[C@H](CCN1CCN(C)CC1)NC[C@H](O)CN(C)CCC#N 1120588940 IXILXAZZKUSUOD-CVEARBPZSA-N 311.474 -0.192 30 20 DBED C[C@@H](CN(C)C(=O)[C@@H]1CNC(=O)N1)Nc1cncc(C#N)n1 1120635099 RHORWYHRUMGSSO-WPRPVWTQSA-N 303.326 -0.712 30 20 DBED Cn1cccc1C(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1 1121067525 NPFJBQDTIMQEJW-SNVBAGLBSA-N 300.322 -0.689 30 20 DBED Cn1nccc1C(=O)NC[C@H](CO)Nc1ccc(C#N)cn1 1121176994 CDURJNBKJBEVSG-LLVKDONJSA-N 300.322 -0.110 30 20 DBED CCS(=O)(=O)NCC(=O)NC1CC2(CC(NCC#N)C2)C1 1121189140 GFDQZXIMZULNQC-UHFFFAOYSA-N 314.411 -0.534 30 20 DBED Cc1cc(=N[C@@H](CO)CNC(=O)[C@@H]2CCCOC2)c(C#N)c[nH]1 1121205347 OCDBGTWCLJWHEJ-TZMCWYRMSA-N 318.377 -0.001 30 20 DBED Cn1ccc(C(=O)NC[C@H](CO)Nc2cnc(C#N)cn2)c1 1121296042 QIQPNDNGFKHOKA-GFCCVEGCSA-N 300.322 -0.110 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)CN2CCOCC2)nc1 1121345683 CSHOONUEOSJOMM-CYBMUJFWSA-N 319.365 -0.826 30 20 DBED Cc1ccc(C(=O)NC[C@@H](CO)N=c2cc[nH]cc2C#N)nn1 1121447344 WBHIUKMBAWXCMU-LBPRGKRZSA-N 312.333 -0.324 30 20 DBED Cc1c[nH]nc1C(=O)NC[C@@H](CO)Nc1cncc(C#N)n1 1121529134 VCSSTSYMQZOWLS-JTQLQIEISA-N 301.310 -0.417 30 20 DBED Cc1cc(=N[C@H](CO)CNC(=O)c2ccn(C)n2)c(C#N)c[nH]1 1121580072 DVBJUPSMJZXBQI-LBPRGKRZSA-N 314.349 -0.380 30 20 DBED C[C@@H]1CCN(CC(=O)NC[C@@H](CO)Nc2cncc(C#N)n2)C1 1122526865 MSHIOSCYFUTVMH-YPMHNXCESA-N 318.381 -0.421 30 20 DBED Cc1ccnn1CC(=O)NC[C@@H](CO)Nc1cncc(C#N)n1 1122659181 HTHFTNRKARHRRY-LBPRGKRZSA-N 315.337 -0.558 30 20 DBED CN(C[C@H](O)CNc1ccc(C#N)cn1)C(=O)[C@@H]1CCC(=O)N1 1124429475 ZBRFWSWKXXLNLK-NEPJUHHUSA-N 317.349 -0.537 30 20 DBED C#CCOCCC(=O)N(C)C[C@@H](O)CNc1cc(F)ncn1 1124518627 BVLDLIRWIZDNIG-NSHDSACASA-N 310.329 -0.113 30 20 DBED CCC[C@H](OC)C(=O)N(C)C[C@H](O)CN=c1cc[nH]c(C#N)n1 1124673068 YHAPTSYFXBPGRY-NEPJUHHUSA-N 321.381 -0.184 30 20 DBED C#CCNC(=O)CC(=O)NCCNCc1cccc(OCC)n1 1125978169 NELMFQWBVVBKRL-UHFFFAOYSA-N 318.377 -0.174 30 20 DBED CNC(=O)CC(=O)N(C)C1CC(Nc2ccc(C#N)nn2)C1 1126896781 RZOOZSBFQZNSOC-UHFFFAOYSA-N 302.338 -0.114 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1c2c(nn1C)CCCC2 1128306279 WAJOBZMOPMIOAE-UHFFFAOYSA-N 317.393 -0.632 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)c1cccc2ncnn12 1130908132 HPWHXEBYVIBZJJ-LLVKDONJSA-N 316.365 -0.261 30 20 DBED C=CCOCC(=O)N1C[C@@H](NC[C@H](C)O)[C@H](c2cncn2C)C1 1130948679 UCMBPBVXEWTSAZ-BFHYXJOUSA-N 322.409 -0.113 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1snnc1CC 1130961605 WVCMLBYYBKZWGS-VIFPVBQESA-N 309.395 -0.442 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1c(C)cc(=O)oc1C 1131075417 GGJCELMVPCNKGO-LLVKDONJSA-N 319.361 -0.286 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1cccc2nccn12 1131273042 CESPXILVCKMDDS-GFCCVEGCSA-N 313.361 -0.208 30 20 DBED C=CCO[C@H](C)C(=O)N1C[C@@H]2C[C@@H]3CN(CC(N)=O)C[C@]2(C1)O3 1131298261 YIHLQLRFPKAXRE-OQMKEHIESA-N 323.393 -0.636 30 20 DBED C#CCN1CCN([C@@H]2CCCN(C(=O)COCC=C)C2)C(=O)C1 1131709981 PMTAJGNWZBTPRU-OAHLLOKOSA-N 319.405 -0.043 30 20 DBED C[C@@H]1CC[C@@H](NC(=O)C(C)(C)C(N)=O)CN1CC(=O)NCC#N 1132120423 ROSMZJBAVDANRQ-GHMZBOCLSA-N 323.397 -0.893 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)[C@H]1OCC[C@H]1C 1134033190 JYCHZIWSDSSPJG-PWSUYJOCSA-N 312.370 -0.871 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)c1ccccn1)C2 1146875767 IQCHBHSMMPLNBU-UHFFFAOYSA-N 312.373 -0.021 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@H](NC(C)=O)C(C)C 1148470617 LCGSOUBOOAAXDC-DGCLKSJQSA-N 312.414 -0.456 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H]1CN(CC#CC)CCCO1 1149598544 BLIUNWKWNIRAOM-AWEZNQCLSA-N 305.378 -0.644 30 20 DBED CN1CC[C@@H](CC(=O)NC[C@@H]2CN(CC#N)CCCO2)C1=O 1149890829 VQLOXRMXNBWCJR-QWHCGFSZSA-N 308.382 -0.415 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)COCc2nncn2C)C1 1150542306 XXQKBHMKGJTYNB-CYBMUJFWSA-N 321.381 -0.828 30 20 DBED CCC[C@@H](NC(N)=O)C(=O)NC[C@@H]1CN(CC#N)CCCO1 1150652663 BTNXUGYQSZFFDH-VXGBXAGGSA-N 311.386 -0.446 30 20 DBED COCCC1(NC(=O)CNC(=O)OC)CCN(CC#N)CC1 1150970817 QHETVOWPDHFPTJ-UHFFFAOYSA-N 312.370 -0.147 30 20 DBED C=C(Br)CNCCNC(=O)C[C@H]1CC(=O)NC1=O 1153886613 DVLYVVKJMSTNRE-QMMMGPOBSA-N 318.171 -0.346 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)Cn1ccc(C)n1 1155300884 YEWIBKOCXHXQPX-CQSZACIVSA-N 319.409 -0.232 30 20 DBED C#CCNC(=O)CNCCCC[C@@H](C)NC(=O)[C@@H]1[C@H]2COC[C@H]21 1174804657 BSJSUQCPDHBTNW-NYTXWWLZSA-N 321.421 -0.107 30 20 DBED C#CCNC(=O)CN1CCO[C@H]2CCN(C(=O)COCC)C[C@H]21 1176900511 MILVRNRUWAJHTM-KGLIPLIRSA-N 323.393 -0.926 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2nccn2CC)[C@H]1C 1178563024 DXAGMDQSSDTOKK-STQMWFEESA-N 317.393 -0.155 30 20 DBED COCC#CCN[C@H]1CCN(C(=O)C[C@H](C)NC(N)=O)[C@H]1C 1178689658 UWUPVXPCGHDEPZ-AVGNSLFASA-N 310.398 -0.338 30 20 DBED Cc1conc1C(=O)N1CC[C@H](NCC(=O)NCC#N)[C@@H]1C 1179861081 KPLMDINAWPVGDO-QWRGUYRKSA-N 305.338 -0.185 30 20 DBED CC(C)c1cc(C(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)n[nH]1 1185797864 SSJHWDMINOROPT-LLVKDONJSA-N 318.381 -0.023 30 20 DBED C#CCNCc1cn([C@@H]2CCCN(C(=O)c3nc[nH]n3)C2)nn1 1186011862 QDJYDOXYQGPJPK-GFCCVEGCSA-N 314.353 -0.404 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2cnc(C)nc2C)C1 1186421093 YHRDQHSMDNFNRM-CYBMUJFWSA-N 315.377 -0.353 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2ccncn2)C1 1186466193 SWHSITPTACUROA-VXGBXAGGSA-N 301.350 -0.581 30 20 DBED N#CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3ccon3)[C@@H]2C1 1187072472 NGNXBFQAHFHBLO-CMPLNLGQSA-N 303.322 -0.539 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@H]1CCN(C(=O)CC(=O)NCC)C1 1189787716 PVFOOXXPDKZRFW-STQMWFEESA-N 322.409 -0.817 30 20 DBED C=CC(C)(C)CC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[nH]2)C[C@H]1O 1193327778 OTHNWJHUXKLQRJ-GHMZBOCLSA-N 323.397 -0.628 30 20 DBED CCc1cc(C(=O)N2CCCN(CC(=O)NCC#N)CC2)n[nH]1 1194913032 OBQJIFKLHKGTIG-UHFFFAOYSA-N 318.381 -0.240 30 20 DBED C=CCNC(=O)[C@@H](C)NC[C@@H]1CN(C(=O)COC)CCCO1 1199601954 XVJHKLYSBBVOHY-CHWSQXEVSA-N 313.398 -0.469 30 20 DBED CCCNC(=O)CNC[C@@H]1CN(C(=O)[C@@H](C)C#N)CCCO1 1200114615 GPMUCOYSOJSYLP-QWHCGFSZSA-N 310.398 -0.121 30 20 DBED N#CCNC[C@H]1CN(C(=O)COC[C@H]2CCOC2)CCCO1 1201548406 WSMLZWHNORHWRB-KBPBESRZSA-N 311.382 -0.230 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)c2nc(C)c[nH]2)CC1 1202856545 WFACOCMUIUWPFJ-UHFFFAOYSA-N 303.366 -0.338 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)c1cc[n+]([O-])cc1 1205822785 PLBSTZZXNNCLSK-DGCLKSJQSA-N 317.349 -0.990 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)CCOCC1CC1 1206961025 GBBKMOXGIOWLFS-TZMCWYRMSA-N 322.409 -0.121 30 20 DBED N#CCNC(=O)CN[C@H]1CCCN(C(=O)CCc2ncc[nH]2)C1 1207923890 FZIXOSFWSONRTH-LBPRGKRZSA-N 318.381 -0.437 30 20 DBED Cc1ccc(C(=O)N2CCC[C@@H](NCC(=O)NCC#N)C2)nn1 1208006213 XYXOPVZUTGGHQS-GFCCVEGCSA-N 316.365 -0.381 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)CCc2cnc[nH]2)C1 1208299563 PDQWFFDCRYKAPQ-AWEZNQCLSA-N 317.393 -0.328 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)c2nc(C)c[nH]2)C1 1210045405 MIRZTUPXMDXHGY-GFCCVEGCSA-N 303.366 -0.338 30 20 DBED CC#CCN[C@@H]1CCCN(C(=O)CN2C(=O)CN(C)C2=O)C1 1210983628 FADCCUGESPHGNX-GFCCVEGCSA-N 306.366 -0.516 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)c2cc(C)on2)C[C@H]1C 1214097863 JGMYQISLGZKPJG-ZWNOBZJWSA-N 304.350 -0.217 30 20 DBED CCc1cc(C(=O)N2C[C@@H](NCC(=O)NCC#N)[C@H](C)C2)n[nH]1 1214179413 KGAGQBGDJSVZEC-ZWNOBZJWSA-N 318.381 -0.338 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)COCC=C)C[C@H]1C 1214329367 FELGEKPYNRHBDM-MGPQQGTHSA-N 307.394 -0.237 30 20 DBED COCCS(=O)(=O)CC(=O)N1C[C@@H](NCC#N)[C@H](C)C1 1214984491 PVTPZAZZWFQKFS-GHMZBOCLSA-N 303.384 -0.992 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)C(C)(F)F 1217180771 SAHVNGKUVAAGGL-WDEREUQCSA-N 317.336 -0.145 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CNC(=O)CCC 1217434875 IBJOOEZGCOCLRO-UONOGXRCSA-N 307.394 -0.162 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(CC(=O)N[C@H](C)C(C)C)C[C@@H]1O 1219581092 GKETUFMLEFBXOC-KFWWJZLASA-N 323.437 -0.032 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)c2c[nH]nc2C)C1 1220107756 OQWVSQOZJVPCAT-UHTWSYAYSA-N 321.381 -0.816 30 20 DBED C=CCCCN1C[C@H](O)[C@H](NC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 1220359444 MRYYBGWJIYIVOE-DGAVXFQQSA-N 309.410 -0.162 30 20 DBED C=CCC(C)(C)C(=O)N[C@@H]1CN(CC(=O)N2CCC2)C[C@@H]1O 1220434742 ZVDCLYHBGTWXPI-OLZOCXBDSA-N 309.410 -0.018 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)CCc2nc(C3CC3)no2)C1 1220504648 LODHNJYZOQXSHC-MNOVXSKESA-N 305.338 -0.436 30 20 DBED CC#CCN1CCC(CNC(=O)Cn2ccc(O)nc2=O)CC1 1223757241 BDADNENASINLNB-UHFFFAOYSA-N 318.377 -0.200 30 20 DBED CNC(=O)NC(=O)[C@@H](C)N1CCC(NC(=O)[C@@H](C)C#N)CC1 1226647828 DQGRDVMQUJAKID-VHSXEESVSA-N 309.370 -0.429 30 20 DBED CN(C[C@@H]1CCN1Cc1nc(=O)n(C)[nH]1)C(=O)CSCC#N 1230815531 PBPYKGOSLCCNRW-JTQLQIEISA-N 324.410 -0.602 30 20 DBED C=C[C@@](C)(O)CC(=O)N(C)C[C@@H]1CCN1Cc1nc(O)n[nH]1 1233976769 HTLFLUOWSKYPOE-IINYFYTJSA-N 309.370 -0.130 30 20 DBED C[C@@H](C(=O)NC(N)=O)N1CC[C@H]1CN(C)C(=O)C#CC1CC1 1234195056 HXQPAUCSFSXMLD-JQWIXIFHSA-N 306.366 -0.484 30 20 DBED C#CCNC(=O)[C@H](C)N(C)CCCNC(=O)CCC(=O)NCC 1235625809 IIIPVQPFPQDAPX-ZDUSSCGKSA-N 324.425 -0.521 30 20 DBED CC(=O)NCCCNC(=O)C(=O)NCC#Cc1ccccc1 1256945146 ZPACICZWDHKHNH-UHFFFAOYSA-N 301.346 -0.203 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)NCCc2cccc(O)c2)C1 1261466626 PWGJWAICPOBLQF-INIZCTEOSA-N 317.345 -0.072 30 20 DBED COC[C@@]1(C)CCN(C(=O)C(=O)N2CCN(CCC#N)CC2)C1 1261873058 KNZRGNIVFDBCOV-INIZCTEOSA-N 322.409 -0.071 30 20 DBED C=CCn1c([C@@H](C)CO)nnc1N1CCN(C(=O)COC)CC1 1262976492 ISJMYBGMNUBJJJ-LBPRGKRZSA-N 323.397 -0.145 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)[C@@H]2CCNC(=O)C2)C1 1265278320 DJENFHCWFKCYPG-NEPJUHHUSA-N 308.382 -0.995 30 20 DBED C[C@H]1C(=O)NCCN1C(=O)C(=O)NCc1ccc(C#N)cc1 1322410145 RMPWZGFYXJZEGU-JTQLQIEISA-N 300.318 -0.479 30 20 DBED N#CCNC(=O)CNC(=O)NC[C@H]1CCC2(CCOCC2)[C@@H]1O 1323413742 NGLHPLRXBRNLJL-DGCLKSJQSA-N 324.381 -0.507 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@@H]1CCCOCC1 1323414428 WZDSZNHBXVWDTI-LLVKDONJSA-N 318.395 -0.611 30 20 DBED Cn1ncc(COC(=O)CCN/C(O)=C2/N=CC=CC2=O)n1 1323923561 MUIMUGYOZDBBJY-SEYXRHQNSA-N 305.294 -0.225 30 20 DBED N#CCCCC(=O)NCCNS(=O)(=O)Cc1ccon1 1324010642 NNVQOXKCKMPGSO-UHFFFAOYSA-N 300.340 -0.096 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)NCC1(OC)CCC1 1325559996 QHFLEIARTNIFBX-UHFFFAOYSA-N 318.395 -0.611 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCCO[C@@H](C)C1 1325695871 HCGZPVQYZAOBMK-NSHDSACASA-N 318.395 -0.659 30 20 DBED C#CCNC(=O)C1CCN(C(=O)C(=O)NC[C@H](C)COC)CC1 1325914224 KAZRJBGJMMOWFI-LBPRGKRZSA-N 323.393 -0.627 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)COCc2nncn2C)C1=O 1326464455 DBINPIZNNGWFBJ-NSHDSACASA-N 307.354 -0.423 30 20 DBED C=CCn1cc(C(=O)NCCOCCS(C)(=O)=O)nn1 1326628505 FSXDGJNHADATKJ-UHFFFAOYSA-N 302.356 -0.745 30 20 DBED CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)C(=O)N1CC[C@](O)(CC#N)C1 1329350410 YIYIHOKXGDTRLO-LSSIXWDNSA-N 321.377 -0.207 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H](n3ccnn3)C2)CCO1 1332003318 SRJUSLXOHSMAHX-NEPJUHHUSA-N 318.337 -0.807 30 20 DBED C#CCNC(=O)CCNC[C@H]1CCC[C@H]1NS(C)(=O)=O 1336810302 HFERJBLZZDGUNM-VXGBXAGGSA-N 301.412 -0.567 30 20 DBED C#C[C@@H](C)N(C)c1nnc(-c2cn(CCO)nn2)n1CCOC 1341750422 BJHCDBDWBHJBJQ-LLVKDONJSA-N 319.369 -0.367 30 20 DBED N#Cc1cc(NC(=O)C(=O)N2C[C@@H](CO)[C@H](CO)C2)ccc1F 1348358346 SFXIDOHWDBHAIX-QWRGUYRKSA-N 321.308 -0.305 30 20 DBED N#Cc1cn(CC(=O)NCCc2ccccc2O)c(=O)nc1O 1362263976 REERMMLBCSTIGJ-UHFFFAOYSA-N 314.301 -0.115 30 20 DBED N#Cc1ccc(NCC(=O)N2CCC(CO)(CO)CC2)nc1 1363563813 AZIRFOPJFMFRAU-UHFFFAOYSA-N 304.350 -0.041 30 20 DBED CN1CCCC[C@H]1CNS(=O)(=O)N1CCO[C@@H](C#N)C1 1364051103 BZUXFXPAQANIOJ-RYUDHWBXSA-N 302.400 -0.471 30 20 DBED CN(CCNC(=O)Cn1ncnn1)Cc1ccc(C#N)cc1F 1377153289 KRMPQMYBARQVCQ-UHFFFAOYSA-N 317.328 -0.068 30 20 DBED N#Cc1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)CCCF)C2)[nH]1 1384734470 UEHSHFYOZWHYIF-VXGBXAGGSA-N 308.313 -0.062 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(CCNC(=O)[C@H]2CCCO2)CC1 1385521180 VLGVYNUPDSSDMA-QWHCGFSZSA-N 308.382 -0.415 30 20 DBED C[C@@H](C(=O)Nc1ncccn1)N1CC(NC(=O)[C@H](C)C#N)C1 1391414359 CXGHAMNAFYZGMN-ZJUUUORDSA-N 302.338 -0.236 30 20 DBED CS(=O)(=O)CC(=O)NC1CN(Cc2ccccc2C#N)C1 1400322073 JMPMZGDUQGMDHB-UHFFFAOYSA-N 307.375 -0.097 30 20 DBED CNC(=O)NC(=O)CNCC(C)(C)CN(C)C(=O)[C@@H](C)C#N 1403057547 PDTJMOLTHNUWPE-JTQLQIEISA-N 311.386 -0.324 30 20 DBED Cc1nn[nH]c1C(=O)N1CCN(CCNC(=O)[C@@H](C)C#N)CC1 1407443545 CJQFHVVHFISQSB-JTQLQIEISA-N 319.369 -0.853 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1cnoc1C1CC1 1416781425 IEHXXJNHTIGRCR-WCBMZHEXSA-N 306.322 -0.081 30 20 DBED COCCN(CCNC(=O)[C@@H](C)C#N)C(=O)[C@@H](C)NC(C)=O 1426069991 GDMCTULQPPKRTF-WDEREUQCSA-N 312.370 -0.738 30 20 DBED COCCN(CCNC(=O)[C@H](C)C#N)C(=O)[C@@H]1CCNC(=O)C1 1426072932 RCELIGGVMMCLEF-VXGBXAGGSA-N 324.381 -0.737 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1C[C@@H](NC(=O)C[C@@H]2CCC(=O)N2)C1 1445958561 OSPXTQRXDVHJMV-WYUUTHIRSA-N 306.366 -0.174 30 20 DBED CC[C@@H](C)OCC(=O)NC[C@@H](O)CNC(=O)c1c[nH]c(C#N)c1 1452331636 QDZNLBGHKZJZOW-ZWNOBZJWSA-N 322.365 -0.092 30 20 DBED C[C@@H](CNC(=O)c1ncn(C)n1)NC(=O)c1c[nH]c(C#N)c1 1454601719 KTWYPZRLCRDDEV-QMMMGPOBSA-N 301.310 -0.437 30 20 DBED CCS(=O)(=O)NCC(=O)N(C)CCN(C)C(=O)[C@H](C)C#N 1457799773 UVMMBVGHRYDNJC-SNVBAGLBSA-N 318.399 -0.998 30 20 DBED C#C[C@@H](CCC)NC(=O)Cn1cc(-c2nn[nH]n2)c(O)nc1=O 1573278988 AYTGQUIMONEXMU-QMMMGPOBSA-N 317.309 -0.953 30 20 DBED N#Cc1cn(CCC(=O)N2CCCC[C@H]2C(=O)O)c(=O)nc1O 1574249034 PSCWNALGFDMEAP-JTQLQIEISA-N 320.305 -0.324 30 20 DBED C#CCN(C)c1nnc([C@H]2COCCN2)n1CC(=O)NCCC 1574615275 ZQAVYQVBXLHZAR-GFCCVEGCSA-N 320.397 -0.465 30 20 DBED COc1cc(CS(=O)(=O)N[C@@H]2CNC[C@@H]2C#N)sn1 1579153896 OJYRTSZEIHSFLC-IONNQARKSA-N 302.381 -0.317 30 20 DBED N#C[C@H]1CNCC12CC(C(=O)N1CCC(OCC(N)=O)CC1)C2 1580041546 CGHCYUOCQPJUSX-BGMSHATGSA-N 320.393 -0.381 30 20 DBED C#CC[C@H](NC(=O)[C@](C)(O)Cn1c(C)cccc1=O)C(=O)O 1588399820 XLDWWCAHKHIMFD-XHDPSFHLSA-N 306.318 -0.500 30 20 DBED C#CC[C@H](NC(=O)[C@@H]1CCC(=O)N(c2cnn(C)c2)C1)C(=O)O 1588405539 HFZGTJZWRZPXIM-PWSUYJOCSA-N 318.333 -0.244 30 20 DBED C#CCN(CC(=O)O)[C@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 1588420172 ORHXOZXPBWUOED-GHMZBOCLSA-N 316.379 -0.960 30 20 DBED C#CCNC(=O)C1CCN(C(=O)C2(C(=O)O)CCOCC2)CC1 1588431249 UZJBIWWHSDKFML-UHFFFAOYSA-N 322.361 -0.144 30 20 DBED C=C[C@H](COC)NC(=O)N1C[C@@H](C(=O)O)[C@H](C(=O)OC)C1 1588692737 IYXHTTBQRHXZFY-OPRDCNLKSA-N 300.311 -0.297 30 20 DBED N#C[C@]12CN(C(=O)C3(C(=O)O)CCC3)C[C@H]1CS(=O)(=O)C2 1594611847 IIEWXAWJRLXAOU-JOYOIKCWSA-N 312.347 -0.362 30 20 DBED CC[C@H](C)[C@H](NC(=O)Cn1c(=O)[nH]cc(C#N)c1=O)C(=O)O 1594908321 FUQRZGKZJHFDGR-XVKPBYJWSA-N 308.294 -0.976 30 20 DBED COC[C@]1(C(=O)O)CCCN1c1c(C#N)c(=O)n(C)c(=O)n1C 1599194921 NHGQUTJVNRTHPC-AWEZNQCLSA-N 322.321 -0.974 30 20 DBED N#CCNC(=O)CNS(=O)(=O)[C@@H]1CCCC[C@@H]1C(=O)O 1601074646 KOISFNGHFZJJTK-DTWKUNHWSA-N 303.340 -0.811 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](CO)Nc1ccc(-c2nn[nH]n2)cn1 1602983959 PYLAPMBFULMOIJ-SCZZXKLOSA-N 316.325 -0.690 30 20 DBED N#C[C@@]12CN(c3nccc(C(=O)O)n3)C[C@H]1CS(=O)(=O)C2 1608190054 CVRMBMVPHLAWPM-UFBFGSQYSA-N 308.319 -0.451 30 20 DBED C[C@H](C(=O)O)S(=O)(=O)NC(=O)COc1ccccc1C#N 1609642091 CSSOBVPTOHWHOU-MRVPVSSYSA-N 312.303 -0.144 30 20 DBED CN1CCC(C(=O)N2CCC[C@@H]2CNCC(=O)NCC#N)CC1 1699758704 SKSMHNSKXKFIPP-CQSZACIVSA-N 321.425 -0.451 30 20 DBED C#CCNC(=O)[C@H](C)N(C)CCNC(=O)[C@H](NC(C)=O)C(C)C 1753071526 RNOFXCGVMGHTBS-GXTWGEPZSA-N 324.425 -0.667 30 20 DBED C=CCNC(=O)CN1CC(CNC(=O)c2csc(O)n2)C1 1753407941 BEHRCAHLDFTEPN-UHFFFAOYSA-N 310.379 -0.188 30 20 DBED C#CCNC(=O)CN(C)CCN(C)C(=O)C[C@](C)(O)C1CC1 1753851145 ULQNYBQZCMNMAO-INIZCTEOSA-N 309.410 -0.323 30 20 DBED C=C(Br)CNC/C=C\CNC(=O)[C@H]1CNC(=O)N1 1754164486 MDPYCTJZTYZLHH-PKRMOACSSA-N 317.187 -0.162 30 20 DBED C=CCNC(=O)[C@H](C)NC[C@@H](C)NC(=O)c1cnn(C)c1OC 1754252681 FXGREMRWARHCKJ-MNOVXSKESA-N 323.397 -0.173 30 20 DBED C=CCNC(=O)CNC[C@H](C)NC(=O)c1ccc(C(N)=O)s1 1754288902 JNNBGHMDINASFM-VIFPVBQESA-N 324.406 -0.143 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(NCCCO)CCOCC1 1754738165 NEPGGOXQRYALSY-CQSZACIVSA-N 300.399 -0.049 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(O)CN(Cc2nncs2)C1 1754776185 YVBXEYQFIHXUFU-GFCCVEGCSA-N 312.395 -0.472 30 20 DBED C#CCNC(=O)CN(C)[C@@H](C)CNC(=O)c1c[nH]c(C#N)c1 1755295822 DJVHAOSWKCNENF-NSHDSACASA-N 301.350 -0.314 30 20 DBED COCC#CCN[C@H](C)CN(C)C(=O)C(C)(C)S(C)(=O)=O 1755605405 DFGMVJKLNSXALV-GFCCVEGCSA-N 318.439 -0.104 30 20 DBED C=CCN1CC=C(CNC(=O)Cn2ccc(O)nc2=O)CC1 1755889862 SAWYYFXAFLHZRE-UHFFFAOYSA-N 304.350 -0.117 30 20 DBED C=C[C@@](C)(CC)C(=O)NC[C@H](CO)NC(=O)CS(C)(=O)=O 1756548314 PFHQNCHPFSKYPR-MFKMUULPSA-N 320.411 -0.773 30 20 DBED C=CCCOCC(=O)N1C[C@H](NC(=O)C2(C(N)=O)CC2)C[C@H]1C 1756593052 PTSOCUYBRSCYPB-VXGBXAGGSA-N 323.393 -0.050 30 20 DBED CC(C)N(CCN(C)C(=O)C#CC1CC1)C(=O)[C@H]1CNC(=O)N1 1756700073 NCWMGHGLRRGYDE-CYBMUJFWSA-N 320.393 -0.223 30 20 DBED C[C@H](C#N)C(=O)NC1CC(N(C)C(=O)C(=O)NCC2CC2)C1 1756747458 FALHNSHNCFJZRC-OIKLOGQESA-N 306.366 -0.222 30 20 DBED C=C[C@@](C)(O)CC(=O)N1C[C@H](O)[C@H](NC(=O)c2nc(C)c[nH]2)C1 1757177557 JDLRFLJBOQCWTA-JRPNMDOOSA-N 322.365 -0.653 30 20 DBED C=CCCC(=O)N1CC[C@@H](NC(=O)CN2CCCC2=O)[C@@H](O)C1 1757558717 FHYNLXJVZGRKPW-OLZOCXBDSA-N 323.393 -0.347 30 20 DBED C=CCOCC(=O)N1CC[C@H](NC(=O)c2cnccn2)[C@H](O)C1 1757560756 ZEWKVFQFZJHVOV-WCQYABFASA-N 320.349 -0.629 30 20 DBED CN(CCC#N)C(=O)CCN1CCN(CC[S@](C)=O)CC1 1771641070 GTKOMBFOCSFIFP-NRFANRHFSA-N 314.455 -0.255 30 20 DBED C[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)O)[C@H]2C1 1791056465 RVJYRSNRQJXSHC-DGORSVRFSA-N 316.423 -0.335 30 20 DBED CN(C)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CC1 1795408035 MJLKQDMCMBVJGX-DABQJJPHSA-N 320.393 -0.559 30 20 DBED COCC(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834759692 ABAWFUKAOCKMJT-CQSZACIVSA-N 311.338 -0.997 30 20 DBED C#CC(=O)N1CCCC12CN(C(=O)[C@@H](C)Cn1cncn1)C2 1845959498 XNYSWRCENPEFJM-LBPRGKRZSA-N 301.350 -0.249 30 20 DBED N#CC1(C(=O)N2CC3(CCCN3C(=O)CNC(N)=O)C2)CCC1 1847108481 SOTZRAJPDUTUEC-UHFFFAOYSA-N 319.365 -0.448 30 20 DBED Cc1oc(NC(=O)CN2CCO[C@@H](C(N)=O)C2)c(C#N)c1C 51106013 KUBUELGSOLTYCG-LLVKDONJSA-N 306.322 -0.107 30 20 DBED C#CCOc1ccccc1CN1CCN2C(=O)C(=O)NC[C@@H]2C1 91866621 BZGOBSZMVOLUGH-CQSZACIVSA-N 313.357 -0.159 30 20 DBED C=CCNC(=O)CNC(=O)N[C@H](C)CCN1CCN(C)CC1 185928115 VGAWODALEHBHML-CYBMUJFWSA-N 311.430 -0.386 30 20 DBED CC(C)(C)[C@H](NCC#CCN[C@@H](C(N)=O)C(C)(C)C)C(N)=O 284240150 VQJXVJQVRUQCJJ-TXEJJXNPSA-N 310.442 -0.031 30 20 DBED CN(CCS(=O)(=O)c1ccc(C#N)cn1)[C@@H]1COC[C@H]1O 289378536 IXIWUFYDWORSEP-VXGBXAGGSA-N 311.363 -0.582 30 20 DBED CCN1CCC[C@H]1CN/C(N)=N/CCCNS(C)(=O)=O 303900153 SBZKTFOEBLOAJC-NSHDSACASA-N 305.448 -0.686 30 20 DBED N#C[C@@H]1CC[C@H](N[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)C1 328825355 IYVZXHBCMGZQDA-RQJABVFESA-N 313.423 -0.234 30 20 DBED C[C@@H](C/N=C(/O)N1CCCS(=O)(=O)CC1)N1CCOCC1 328994194 JGFHHFQKSRZMFS-LBPRGKRZSA-N 319.427 -0.258 30 20 DBED C[C@H]1CN(C(=O)Cn2cnc(C#N)n2)CCN1CC(C)(C)O 331304007 TUYPDYIAHIEPPM-NSHDSACASA-N 306.370 -0.547 30 20 DBED N#CCCN(CCN1CCOCC1)C(=O)C(=O)NCC1CC1 336936470 GDKJRQQFKXAGGN-UHFFFAOYSA-N 308.382 -0.413 30 20 DBED COCC1(C#N)CCN(S(=O)(=O)N2CCOCC2)CC1 340764048 BQQMIZDWEFVKJX-UHFFFAOYSA-N 303.384 -0.184 30 20 DBED CC#CCNC(=O)c1ccc2c(c1)S(=O)(=O)N=C1N=CNN12 343005058 WOGKTCNHQQWYGX-UHFFFAOYSA-N 317.330 -0.149 30 20 DBED C=C(C)CN(C)C(=O)C(=O)N[C@@H]1CCc2nc(COC)nn2C1 346484604 NSXCCGUXQRBFKT-LLVKDONJSA-N 321.381 -0.110 30 20 DBED C[C@@H](CC#N)N(C)C(=O)CN1CCN(S(C)(=O)=O)CC1 346681029 OBKCEMJQBOGMGU-NSHDSACASA-N 302.400 -0.676 30 20 DBED CN1C(=O)CO[C@H](C(=O)NCCCC#N)[C@H]1c1cnn(C)c1 348413904 SPZNFKFAJMGRMP-OLZOCXBDSA-N 305.338 -0.262 30 20 DBED C=CCN(C(=O)[C@@H]1CN(CC)CCO1)[C@H]1CCS(=O)(=O)C1 355252886 ILRJYCRZSGSEPL-STQMWFEESA-N 316.423 -0.091 30 20 DBED N#CCNC(=O)CNC(=O)N[C@H](CO)c1c(F)cccc1F 358304278 ZOLHRDCIZKZXTR-SNVBAGLBSA-N 312.276 -0.063 30 20 DBED C=CCCN(C)C(=O)C(=O)N[C@@H]1CCOC[C@H]1OCCOC 360198841 JKEVPEZOQDFPBE-CHWSQXEVSA-N 314.382 -0.042 30 20 DBED C=CCN(CC(=O)O)C(=O)N[C@H]1CCN(S(C)(=O)=O)C1 400210288 VIGXJFODMBPTQP-VIFPVBQESA-N 305.356 -0.698 30 20 DBED CC(C)[C@H]1C(=O)NCCN1S(=O)(=O)N(C)C[C@H](C)C#N 407956419 LUSVFBATDOGNMV-MNOVXSKESA-N 302.400 -0.221 30 20 DBED COC(=O)[C@@H](NS(=O)(=O)c1cnc(C)c(C#N)c1)[C@H](C)O 489652989 KAQUIFHYKYXXTQ-KWQFWETISA-N 313.335 -0.538 30 20 DBED N#Cc1ccccc1OC[C@H](O)CN1CCN(C(=O)CO)CC1 528427155 OCNIQEOFJPWKBD-CQSZACIVSA-N 319.361 -0.566 30 20 DBED C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 567917585 WFRMTRBQABBRFR-LOWDOPEQSA-N 308.382 -0.469 30 20 DBED N#Cc1cccc(CNC(=O)CN[C@]2(C(N)=O)CCOC2)c1 568103740 IYUJABGRWPXONO-OAHLLOKOSA-N 302.334 -0.592 30 20 DBED CCc1nncn1CCNS(=O)(=O)N(C)[C@H](C)CC#N 569690596 KULQKTRRQPTACM-SNVBAGLBSA-N 300.388 -0.091 30 20 DBED CC[C@H](C#N)N(C)C(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 594088728 KGSWBYKFWJSORS-NPNZPCOPSA-N 305.334 -0.091 30 20 DBED N#Cc1ccc(N2CC[C@H](C(=O)NC[C@@H](O)C(N)=O)C2)c(F)c1 597587244 WQQSCIGDIIBRRQ-GXFFZTMASA-N 320.324 -0.514 30 20 DBED N#Cc1ccc(NC(=O)C(=O)NCCN2CC[C@H](O)C2)c(F)c1 600100173 USUKQRAEEFBIRZ-NSHDSACASA-N 320.324 -0.181 30 20 DBED N#Cc1ncn(CC(=O)N2CCN(C[C@@H]3CCCO3)CC2)n1 610879004 FZRNXPYIMXNUFQ-LBPRGKRZSA-N 304.354 -0.527 30 20 DBED CS(=O)(=O)N1CC(CNC(=O)N2CC[C@](F)(C#N)C2)C1 615551475 WCBRQQMKLDKZLU-NSHDSACASA-N 304.347 -0.475 30 20 DBED Cn1cc(S(=O)(=O)NCC(=O)N2CC[C@](F)(C#N)C2)cn1 615826615 VSZBUSVKDCRGFV-NSHDSACASA-N 315.330 -0.837 30 20 DBED C=CCC1(NC(=O)CN(C)S(=O)(=O)N(C)C)CCOCC1 618250862 RUEKVHUSWBTELU-UHFFFAOYSA-N 319.427 -0.034 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)NC1CC(NS(C)(=O)=O)C1 619751881 OBPAZXHAFNSUSZ-XNWIYYODSA-N 324.428 -0.865 30 20 DBED CS(=O)(=O)CCNC(=O)NCCNc1ccc(C#N)cn1 746513611 LSDLAGQQGUZXSS-UHFFFAOYSA-N 311.367 -0.291 30 20 DBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1CCOC1 752372784 CJFMBCLQFATVEJ-VIFPVBQESA-N 309.347 -0.370 30 20 DBED N#Cc1cccnc1NCCNC(=O)C(=O)NC[C@@H]1CCCO1 774461175 RMFGPZXSWJBLLM-LBPRGKRZSA-N 317.349 -0.223 30 20 DBED C#C[C@H](NC(=O)N1CCN2C(=O)NC(=O)[C@H]2C1)[C@H]1CCCO1 776236113 XUXXGTDFYBSEIA-HBNTYKKESA-N 306.322 -0.887 30 20 DBED N#CCn1cc(NC(=O)C(=O)N2CCOC[C@@H]2C2CC2)cn1 785007794 VLNURBSEIYWHMS-GFCCVEGCSA-N 303.322 -0.017 30 20 DBED CCOC(=O)[C@@H](C)NS(=O)(=O)N(CCC#N)CCOC 800015998 SWMQVRMNINNJQS-SNVBAGLBSA-N 307.372 -0.366 30 20 DBED C#C[C@H](NC(=O)C(=O)N(C)C[C@@H](O)C(F)(F)F)[C@H]1CCCO1 809312676 NSALTUBFPTURTD-IVZWLZJFSA-N 322.283 -0.335 30 20 DBED CC#CCS(=O)(=O)NC(=O)[C@@H]1COCCN1CC(F)F 810775014 VPWMPZYPJGEQHX-VIFPVBQESA-N 310.322 -0.578 30 20 DBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)O[C@H]1CNOC1 819749709 WZLQJCOMIJOKSZ-QMMMGPOBSA-N 311.319 -0.828 30 20 DBED CN(CCC#N)S(=O)(=O)N(CC(=O)O)C1CCOCC1 830726997 CKKRYKUZSUEBQP-UHFFFAOYSA-N 305.356 -0.358 30 20 DBED C=CCONC(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 838708368 SPHPFTMNMLECHG-NSHDSACASA-N 321.399 -0.108 30 20 DBED C=C[C@H](C)ONC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 846543841 SQEXKICQPPPPGD-QMMMGPOBSA-N 307.310 -0.944 30 20 DBED C=CCNC(=O)COC(=O)[C@H](NS(=O)(=O)C1CC1)C(C)C 849882383 SWBDVNHOAAKBJS-GFCCVEGCSA-N 318.395 -0.062 30 20 DBED COCCNC(=O)[C@H](C#N)C(=O)Cc1nnn(C(C)(C)C)n1 850757648 NUEQXZBLRVNSBJ-SECBINFHSA-N 308.342 -0.558 30 20 DBED CN(C)CCCS(=O)(=O)N1CCN(C2CC2)[C@H](C#N)C1 866777726 XDNGBKQLUYJELM-CYBMUJFWSA-N 300.428 -0.060 30 20 DBED N#Cc1cnc(N2CCN[C@H](C(N)=O)C2)c(Br)c1 881780640 AFZLBTVBQKSZDR-VIFPVBQESA-N 310.155 -0.021 30 20 DBED C#CC1(O)CN(C(=O)NCCS(=O)(=O)Cc2ccccc2)C1 892321488 VCHSGOANPCZBRU-UHFFFAOYSA-N 322.386 -0.009 30 20 DBED N#CCOc1ccc(CNC(=O)CN2CCNC(=O)C2)cc1 900534533 GLZYDQFVRBWFTD-UHFFFAOYSA-N 302.334 -0.363 30 20 DBED CCS(=O)(=O)N1CCN(S(=O)(=O)CC(C)(C)C#N)CC1 914020428 BGAHLOANWLDCPJ-UHFFFAOYSA-N 323.440 -0.167 30 20 DBED C#CCOc1ccc(C(=O)N[C@H]2CCN(C(=O)C(N)=O)C2)cc1 937970790 KLNSXKWJLHERFV-LBPRGKRZSA-N 315.329 -0.485 30 20 DBED NC(=O)c1ccc(C(=O)N[C@H]2CCN(C(=O)C#CC3CC3)C2)[nH]1 938839584 BBVAPHNNOUXSKW-NSHDSACASA-N 314.345 -0.142 30 20 DBED CC(=O)N1CC[C@H](C(=O)N[C@@H]2CCN(C(=O)C#CC3CC3)C2)C1 942106161 VTPLEXFIHFIUGH-LSDHHAIUSA-N 317.389 -0.015 30 20 DBED C[C@H](C#N)C(=O)N1CCC(O)(CN[C@@H]2CCN(C)C2=O)CC1 946919091 XUJAQIXNUIMHGU-VXGBXAGGSA-N 308.382 -0.680 30 20 DBED N#CCN1CCC2(CC1)CN(C(=O)[C@@H]1CC[C@@H]1C(N)=O)CCO2 949154111 PEDOMXTUIPVRBF-QWHCGFSZSA-N 320.393 -0.285 30 20 DBED N#Cc1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C(=O)C(N)=O)c[nH]1 952589688 ZZZPIVWNHZDKSN-NEPJUHHUSA-N 315.333 -0.423 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CCC[C@H](C1)N2C(=O)[C@@H]1CCNC1=O 952785441 KNFFROHKVQGSNC-WUHRBBMRSA-N 318.377 -0.126 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CCC[C@H](C1)N2C(=O)[C@H]1CNC(=O)N1 952785643 ONOWTBCNOLPAOO-WISYIIOYSA-N 319.365 -0.581 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@](C)(NC(=O)c2cn(C)c(=O)n2C)C1 957139405 VOMMMCGXAKGPMB-BONVTDFDSA-N 319.365 -0.396 30 20 DBED N#CCN1C[C@H](CNC(=O)c2cn3c(n2)CCCC3)[C@@H](O)C1 958117954 XDEUKYGGVRFJTJ-AAEUAGOBSA-N 303.366 -0.235 30 20 DBED CC#CCN1C[C@H](CNC(=O)c2c(C)nnn2CC)[C@@H](O)C1 958131281 RBYZTBPNQRFENN-STQMWFEESA-N 305.382 -0.348 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](CNC(=O)c2cncnc2O)C1 958166765 AMKSVKQOWSVXLT-KOLCDFICSA-N 312.757 -0.043 30 20 DBED COCCn1nccc1C(=O)NC[C@@H]1CN(CC#N)C[C@@H]1O 958170856 ALOBJOIEXNONQF-YPMHNXCESA-N 307.354 -0.924 30 20 DBED C#CCCN1C[C@H](O)[C@H](CNC(=O)c2ccc(C(N)=O)s2)C1 958477248 WXVPYENCQSPPPP-MNOVXSKESA-N 321.402 -0.107 30 20 DBED C=CCN1C[C@H](CNC(=O)c2cnn(CCOC)c2)[C@@H](O)C1 958634272 AGVKOODWIQBYGQ-JSGCOSHPSA-N 308.382 -0.262 30 20 DBED Cc1c[nH]c(C(=O)N(C)[C@H]2CN(C(=O)C#CC3CC3)C[C@@H]2O)n1 958856749 PBRLVIOXIAMWQB-STQMWFEESA-N 316.361 -0.225 30 20 DBED CCc1n[nH]cc1C(=O)N(C)[C@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1O 958887269 HYDVGKJASMLUMF-XDTLVQLUSA-N 319.365 -0.225 30 20 DBED CC#CCN1C[C@H]2[C@H](NC(=O)[C@@H]3CC(=O)N(CCOC)C3)[C@H]2C1 960170073 WHGCFTQQVWUKGW-NYTXWWLZSA-N 319.405 -0.449 30 20 DBED C#CCN1C[C@H]2C(NC(=O)c3ccc(-n4ccnc4)nn3)[C@@H]2C1 962024062 ZMTDEUCNHHKWLF-VXGBXAGGSA-N 308.345 -0.045 30 20 DBED N#CCN1CCC[C@H]1[C@@H]1CCCN(C(=O)Cn2cnnn2)C1 963264608 OUQIASWKPARILN-OLZOCXBDSA-N 303.370 -0.100 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCOC2(CN(C(=O)COC)C2)C1 965496706 CQUIKMFEBFBZRJ-OLZOCXBDSA-N 324.377 -0.336 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CN([C@@H](C)C(N)=O)CC2(C)C)nn1 977276553 ZNDLZBUWIPFIJI-CMPLNLGQSA-N 320.397 -0.222 30 20 DBED C=CCN1C[C@@H]2C(CNC(=O)[C@@H]3CC(=O)N(CCOC)C3)[C@H]2C1 978241396 ILWQNYPNUROALI-BPLDGKMQSA-N 321.421 -0.039 30 20 DBED C[C@@H](C#N)C(=O)N1CCCCC[C@H](NC(=O)Cn2cnnn2)C1 987129198 KDBJSVZFMPMPDB-RYUDHWBXSA-N 319.369 -0.280 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@H](NC(=O)C3CC3)[C@H](O)C2)[nH]1 991196575 VVIGQSYPVPOBQU-WCQYABFASA-N 302.334 -0.012 30 20 DBED C#CCOc1ccc(C(=O)NC2CN(C(=O)CC(N)=O)C2)cc1 991652719 UQFLZLMAQWXPHB-UHFFFAOYSA-N 315.329 -0.485 30 20 DBED C=CCOc1cccnc1C(=O)N1CC(NC(=O)C(N)=O)C1 998714821 LOZMCRNLERUYPH-UHFFFAOYSA-N 304.306 -0.928 30 20 DBED N#CCN1CC[C@H](n2cc(CNC(=O)c3cncnc3)nn2)C1 999987765 XTMAKCAKCOXWBH-ZDUSSCGKSA-N 312.337 -0.232 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)[C@@H]2CCCCN2C(N)=O)C1 1000218656 NTHQHDUTNSXADV-ONGXEEELSA-N 307.354 -0.594 30 20 DBED Cc1cc(C(=O)NC2CN(C(=O)[C@@H](C)C#N)C2)ncc1C(N)=O 1000302589 XNIMWIISKOAMKF-VIFPVBQESA-N 315.333 -0.411 30 20 DBED Cn1nnc(CN2CCC[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)n1 1007045897 OAFAWBKVANPZMW-NSHDSACASA-N 314.353 -0.196 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H](C)OC)CC1 1010571948 IAZMYZHLVQBKLJ-KBPBESRZSA-N 307.394 -0.210 30 20 DBED Cn1nnnc1CN1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 1010666185 ATWQRLNDPNRPIF-SNVBAGLBSA-N 300.326 -0.586 30 20 DBED O=C1CC[C@H](C(=O)N2CCN(C(=O)C#CC3CC3)CC2)CCN1 1011111315 JSIQOJOGZYZHJL-AWEZNQCLSA-N 317.389 -0.013 30 20 DBED C=CCn1cccc1C(=O)N1C[C@@H](NC(=O)C(N)=O)C[C@@H]1C 1012920641 BLFKGLYAVHQJIH-QWRGUYRKSA-N 304.350 -0.121 30 20 DBED O=C1CCC[C@H](C(=O)NC2[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]23)N1 1013267519 BMTOHPQCFRWUBN-JHJVBQTASA-N 315.373 -0.359 30 20 DBED C#Cc1ccc(C(=O)NC2[C@H]3CN(C(=O)c4cnon4)C[C@H]23)cn1 1013514021 VHCAGXUPLDSQPO-RYUDHWBXSA-N 323.312 -0.054 30 20 DBED C[C@H]1[C@H](NC(=O)c2c[nH]c(C#N)c2)CCCN1C(=O)CC(N)=O 1014887322 YTVKPEYTTVSVAN-JOYOIKCWSA-N 317.349 -0.129 30 20 DBED N#Cc1ccc(C(=O)NC[C@H]2CC[C@H](NC(=O)C(N)=O)C2)[nH]1 1015549852 CGJNDXHBWJTXNL-IUCAKERBSA-N 303.322 -0.614 30 20 DBED C[C@@H]1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)CN1C(=O)CC(N)=O 1018072178 WKONLYMFKDYOBZ-MWLCHTKSSA-N 317.349 -0.129 30 20 DBED C[C@H](N[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1)c1nnnn1C 1018683071 WTTQVTKLCWJRJY-ONGXEEELSA-N 314.353 -0.025 30 20 DBED Cc1cnccc1CC(=O)N[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1O 1023846639 MJFDVTQHJYKROC-LERXQTSPSA-N 316.361 -0.220 30 20 DBED COc1c(O)nc(O)nc1C(=O)N1CCC[C@H](N(C)CC#N)C1 1027648802 WLUVLZOZBHCFOD-VIFPVBQESA-N 321.337 -0.044 30 20 DBED C#Cc1cncc(C(=O)NC2CN([C@@H](C)c3nnnn3C)C2)c1 1030928123 GREZEELHSUCUKA-JTQLQIEISA-N 311.349 -0.238 30 20 DBED C#CCN1CC(CNC(=O)c2cn(C[C@@H]3CCOC3)nn2)C1 1032083604 ZFVRJRMOHLEMKO-LBPRGKRZSA-N 303.366 -0.391 30 20 DBED CC#CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCN(C)S1(=O)=O 1032677155 UOJCXCHRALVGFE-AVGNSLFASA-N 311.407 -0.671 30 20 DBED N#CCN1CCO[C@H](CNC(=O)c2cnn3cccnc23)C1 1035472017 XBAZLCSFKLGEDX-LLVKDONJSA-N 300.322 -0.317 30 20 DBED Cc1c[nH]c(CC(N)=O)c1C(=O)NC[C@@H]1CN(CC#N)CCO1 1035519139 JJXJCQOGQFAGFQ-LLVKDONJSA-N 319.365 -0.695 30 20 DBED C=C(C)CN1C[C@H]2C[C@H]1[C@H]2NC(=O)c1cc(=O)n2[nH]cnc2n1 1037673815 XZPSFBBEEGCLIP-CDMKHQONSA-N 314.349 -0.204 30 20 DBED C=C(C)CN1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1cn(CC(N)=O)nn1 1037743644 NXKMMQBJLFRMOW-SUZMYJTESA-N 304.354 -0.858 30 20 DBED C=C(C)CCC(=O)N1CC[C@@](O)(CNC(=O)C2(C(N)=O)CC2)C1 1040743670 VCUCGFIPXWHOSL-OAHLLOKOSA-N 323.393 -0.312 30 20 DBED Cc1conc1C(=O)NC[C@]1(O)CCN(C(=O)[C@@H](C)C#N)C1 1040905593 ALZZWFWBKXWCOD-LKFCYVNXSA-N 306.322 -0.164 30 20 DBED CN1CC[C@@H](C(=O)N[C@@H]2CN(c3ccncc3C#N)C[C@H]2O)C1 1041049513 MPGPTGAXNJJRCH-UXIGCNINSA-N 315.377 -0.429 30 20 DBED C#CCN1CC[C@]2(CCN(C(=O)[C@@H]3CCS(=O)(=O)C3)C2)C1 1041450249 CHGAKIIANDOPHG-HIFRSBDPSA-N 310.419 -0.021 30 20 DBED CO[C@@H](C)C(=O)N1CCCO[C@H](CN=c2cc[nH]c(C#N)n2)C1 1041488003 YIGLMODXVASUOI-NWDGAFQWSA-N 319.365 -0.166 30 20 DBED N#Cc1cnc(NC[C@H]2CN(C(=O)CC(N)=O)CCCO2)cn1 1041488467 SRADCZAPHDYFER-NSHDSACASA-N 318.337 -0.747 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)C2[C@H]3CCC[C@H]23)C1 1042398449 ZANCMVFXKOGYDJ-STQMWFEESA-N 320.389 -0.238 30 20 DBED N#Cc1c[nH]c(C(=O)NCC2(O)CN(C(=O)CCCF)C2)c1 1042401996 SOXLXJGQIXBZTM-UHFFFAOYSA-N 308.313 -0.061 30 20 DBED CC(C)[C@@H](O)C(=O)NCC1(O)CN(C(=O)C#CC(C)(C)C)C1 1042878043 ZLRIUZITNAWRDT-CYBMUJFWSA-N 310.394 -0.258 30 20 DBED C[C@]1(C(=O)N2CC(O)(CNC(=O)C#CC3CC3)C2)CCCOC1 1042961331 UJVQPZLQIOEPBC-INIZCTEOSA-N 320.389 -0.094 30 20 DBED Cc1ncn(C)c1C(=O)NCC1(O)CN(C(=O)C#CC(C)C)C1 1043475917 MKVWDFVJPCHDRW-UHFFFAOYSA-N 318.377 -0.309 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)c2cnc3n2CCC3)C1 1043645666 FZIPKOCMSBDULF-SNVBAGLBSA-N 317.349 -0.708 30 20 DBED C=C(Br)CN1CC(N(C)C(=O)[C@H]2CNC(=O)N2)C1 1043703223 BJXGDXRIRLRQJH-SECBINFHSA-N 317.187 -0.281 30 20 DBED Cn1nccc1C(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@@H]1O 1043864945 NPSBRNNSLUGIBH-YPMHNXCESA-N 312.333 -0.334 30 20 DBED C=C(Cl)CN1CC(N(C)C(=O)Cn2c(O)nnc2O)C1 1044231745 XMRGUYAUKHYBIS-UHFFFAOYSA-N 301.734 -0.416 30 20 DBED C=C[C@](C)(CC)C(=O)NCC1(O)CN(C(=O)c2cnn[nH]2)C1 1045782197 CGOLGNKGOVXPFE-CYBMUJFWSA-N 307.354 -0.290 30 20 DBED N#CCN1CC[C@H](N2CCN(C(=O)[C@H]3CCCNC3=O)CC2)C1 1046037720 WWTATDZSZPQOQR-KBPBESRZSA-N 319.409 -0.745 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccnc3c2CC(=O)N3)C1 1047441652 LCEUSKOEVYEIEN-STQMWFEESA-N 316.361 -0.121 30 20 DBED CN(C(=O)[C@H]1Cc2ccncc2C1)[C@H]1CN(CC#N)C[C@@H]1O 1047529160 SOINZONQYMPBGU-QEJZJMRPSA-N 300.362 -0.177 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)COCC(F)F)C[C@@H]1O 1049402201 RGWHEDMKAKNTCI-UTLUCORTSA-N 319.308 -0.542 30 20 DBED C=CCN1CC[C@@H](NCC[C@@H]2CCN(C(=O)CC(N)=O)C2)C1=O 1050222593 BZLDMHMVQMXIKB-CHWSQXEVSA-N 322.409 -0.523 30 20 DBED C=CCOCC(=O)N1CC[C@@H]([C@H](C)NC(=O)CC(=O)NC)C1 1050298930 YZMKKKCDNCEAIL-NWDGAFQWSA-N 311.382 -0.322 30 20 DBED CC#CCN1CCOC[C@H]1CNC(=O)[C@@H]1COCCN1CC 1050993310 RNBBPMPQQCJCIS-CABCVRRESA-N 309.410 -0.453 30 20 DBED CC#CCN1CCOC[C@@H]1CNC(=O)c1cc(C(N)=O)cn1C 1051002989 JZSYHWYDEWDARW-ZDUSSCGKSA-N 318.377 -0.422 30 20 DBED CCN1CC[C@@H](NC[C@@H]2CN(C(=O)C#CC3CC3)CCO2)C1=O 1051609438 SPPWRDWDZUWRBI-HUUCEWRRSA-N 319.405 -0.162 30 20 DBED N#Cc1nccc(N2CC[C@H](NC(=O)c3cocn3)[C@@H](O)C2)n1 1051637906 JOGNOTCWFFMDSE-ONGXEEELSA-N 314.305 -0.294 30 20 DBED N#Cc1cncc(N2CC[C@@H](NC(=O)c3cocn3)[C@H](O)C2)n1 1051637923 JXEPDFAMMAZHOK-ZYHUDNBSSA-N 314.305 -0.294 30 20 DBED C=CC(C)(C)C(=O)N1CCO[C@@H](CN[C@H]2CCC(=O)NC2=O)C1 1051752586 MLRQHMIFCIDBKH-RYUDHWBXSA-N 323.393 -0.179 30 20 DBED CO[C@H](C(=O)N1CCOC2(CN(CC#N)C2)C1)c1cnn(C)c1 1053358565 UELXODMOIBJNPO-ZDUSSCGKSA-N 319.365 -0.456 30 20 DBED CN1CC[C@@H](C(=O)NC[C@@H]2CCC3(CN(CC#N)C3)O2)CC1=O 1053619175 MWMJZJFQAIFCPU-OLZOCXBDSA-N 320.393 -0.272 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)c3cnn(C)c3N)CO2)C1 1053782852 DAAIDJDAGXHKEJ-LLVKDONJSA-N 303.366 -0.401 30 20 DBED Cc1cncn1CC(=O)N1CC[C@@H](N=c2cc[nH]c(C#N)n2)C1 1056737437 HIYDACWLWVXQBK-GFCCVEGCSA-N 311.349 -0.012 30 20 DBED CN(c1ccnc(C#N)n1)[C@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 1057010623 AIEFYGAGTGQIHS-JTQLQIEISA-N 314.349 -0.349 30 20 DBED N#Cc1c[nH]ccc1=NC1CCN(C(=O)[C@H]2CNC(=O)N2)CC1 1057409138 OSXQDAYPJQJYNE-CYBMUJFWSA-N 314.349 -0.541 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)CCn1ccnc1 1057525401 REMNWHQPKPDKOX-UHFFFAOYSA-N 320.393 -0.130 30 20 DBED Cc1conc1C(=O)NCCN(CCO)C(=O)C#CC1CC1 1057533602 SSCZGRBLDNJCTP-UHFFFAOYSA-N 305.334 -0.053 30 20 DBED C#CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)Cc1ccc[nH]1 1057584522 MXUFWCNHMWGRAN-ZDUSSCGKSA-N 321.377 -0.467 30 20 DBED N#Cc1cnc(N[C@@H]2CCCN(C(=O)[C@@H]3CNC(=O)N3)C2)cn1 1057749103 PWMGGGMSSUKVOZ-KOLCDFICSA-N 315.337 -0.567 30 20 DBED Cc1cc(OCC(=O)N(CCO)CCNC(=O)[C@H](C)C#N)no1 1057877715 FXWHHYJJSXCWNP-SNVBAGLBSA-N 324.337 -0.541 30 20 DBED C=CCCOCC(=O)N(CCO)CCNC(=O)[C@@H](CC)OC 1057919314 VRMFGURPMWSPFC-CYBMUJFWSA-N 316.398 -0.059 30 20 DBED C=CCCOCC(=O)N(CCO)CCNC(=O)c1ccnnc1 1057919885 AXCKYKIVGILQOI-UHFFFAOYSA-N 322.365 -0.380 30 20 DBED N#Cc1ccc(N2CCC(NC(=O)[C@@H]3CNC(=O)N3)CC2)nn1 1057934127 OWLRIUNWVDRRRG-NSHDSACASA-N 315.337 -0.885 30 20 DBED CCn1cc(C(=O)N[C@H]2CCN(c3ccc(C#N)nn3)C2)nn1 1058432202 OBABQEOFNHPSRG-NSHDSACASA-N 312.337 -0.032 30 20 DBED C=C[C@H](C)[C@H](C)C(=O)N(CCO)CCNC(=O)c1cnn[nH]1 1058438103 PIACHZYARQMHNN-QWRGUYRKSA-N 309.370 -0.186 30 20 DBED N#Cc1ccc(N[C@H]2CCN(C(=O)[C@@H]3CCCNC3=O)C2)nn1 1058985367 MMAYGYYJLGPLPW-NWDGAFQWSA-N 314.349 -0.113 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H](N=c3cc[nH]c(C#N)n3)C2)nn1 1059086353 JNHRDPQPDVLSCW-NSHDSACASA-N 324.348 -0.126 30 20 DBED Cc1cc(C#N)nc(N[C@H]2C[C@H](NC(=O)[C@H]3COC(=O)N3)C2)n1 1059212046 PFFJMAMGXFCHGO-FXPVBKGRSA-N 316.321 -0.176 30 20 DBED Cn1nnc(C(=O)NC[C@@H]2CCN(c3nccnc3C#N)C2)n1 1061705597 GZAYVFAKUGBXOR-VIFPVBQESA-N 313.325 -0.872 30 20 DBED C=CCOCC(=O)N1CCOC[C@@H]1CNC(=O)c1cccnn1 1061810077 OITKRPIQXGRERU-LBPRGKRZSA-N 320.349 -0.364 30 20 DBED C=CCOCC(=O)NC[C@H]1CCCCN1C(=O)CNC(N)=O 1061995505 JYOYVFGRTZPIDX-LLVKDONJSA-N 312.370 -0.645 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(NC(=O)[C@H]2CCC(=O)N2)CCC1 1062869557 FXKUWWBEPWISNV-ABAIWWIYSA-N 323.393 -0.253 30 20 DBED CC(C)C#CC(=O)NCC1(NC(=O)[C@H]2COC(=O)N2)CCC1 1062956375 GWMSNQZFOWHGSN-LLVKDONJSA-N 307.350 -0.091 30 20 DBED C[C@@H]1CN(C(=O)c2cnn[nH]2)CC[C@@H]1N=c1cc[nH]c(C#N)n1 1063807214 BQHDYQJYYYIWND-ZJUUUORDSA-N 312.337 -0.149 30 20 DBED Cc1cc(C#N)nc(N2CC[C@@H]3CN(C(=O)C(N)=O)CC[C@@H]32)n1 1064032672 DBOPCJYBWABFRI-PWSUYJOCSA-N 314.349 -0.431 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)C[C@@H]2CC(=O)NC2=O)CCC1 1064309877 CMNXIPYQQYYTLR-ZJUUUORDSA-N 320.349 -0.646 30 20 DBED C#CCCCCC(=O)N1CCO[C@H](CNC(=O)c2cnn[nH]2)C1 1065066080 XQUPEVGAUBULOI-GFCCVEGCSA-N 319.365 -0.045 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)[C@@]2(C)CNC(=O)C2)CCO1 1065365620 KNLLHTHUURGDKX-BLLLJJGKSA-N 323.393 -0.178 30 20 DBED C=CCCCC(=O)N1CCO[C@@H](CNC(=O)[C@@H]2CCC(=O)N2)C1 1065544557 VQGKOIVCVZKLQD-STQMWFEESA-N 323.393 -0.035 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CN(C(=O)c2ccnnc2)CCO1 1065666884 CEVCANCLBJLLMP-CMPLNLGQSA-N 303.322 -0.407 30 20 DBED C#CCOCCC(=O)N1CCC[C@H](NC(=O)CNC(N)=O)CC1 1065829313 SULUJBFRDCBYFZ-LBPRGKRZSA-N 324.381 -0.808 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CCCN(C(=O)Cn2cncn2)CC1 1066481719 RHUXCSWASARLLU-NWDGAFQWSA-N 304.354 -0.065 30 20 DBED C[C@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1N=c1cc[nH]cc1C#N 1067186038 BNISBBADTHJSBI-GXFFZTMASA-N 313.361 -0.101 30 20 DBED Cc1cc(C(=O)N2CC3(C[C@H](NC(=O)[C@@H](C)C#N)CO3)C2)n[nH]1 1069004642 XYRUEVPXUYPMPI-ONGXEEELSA-N 317.349 -0.023 30 20 DBED C#CCN[C@@H]1CN(C(=O)Cc2ccnn2C)C[C@@H]1n1ccnn1 1070184158 LUKATDLKSWRQJD-KGLIPLIRSA-N 313.365 -0.771 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2csc(O)n2)C[C@@H]1n1ccnn1 1070255348 WUVLQYCPNRMDDA-KOLCDFICSA-N 318.362 -0.271 30 20 DBED C#CCOCCC(=O)N1CCC[C@@H](NC(=O)c2cnn(C)n2)C1 1070728350 OVAYUKFKCXOHKJ-GFCCVEGCSA-N 319.365 -0.424 30 20 DBED C=CCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)CN2C(=O)CNC2=O)C1 1071785996 XTNBHJILHHPEJV-MNOVXSKESA-N 322.365 -0.533 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2(C)CC2)C1 1071943675 QCUQLUYRDPSURH-NEPJUHHUSA-N 305.378 -0.111 30 20 DBED C#CCOCCC(=O)N[C@H]1CCN(C(=O)CC(N)=O)C[C@@H]1C 1073959127 CKFAYGJZTISBKK-RYUDHWBXSA-N 309.366 -0.745 30 20 DBED C#CCCN1CCO[C@@H]2CCN(C(=O)CN3CCOCC3)C[C@@H]21 1074216290 WEWSVJIZHCXLHL-JKSUJKDBSA-N 321.421 -0.356 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)CN3CCCCC3=O)C[C@@H]21 1074284792 SEMFIJDBNZHMDJ-LSDHHAIUSA-N 319.405 -0.066 30 20 DBED CNC(=O)CC(=O)NCC1(O)CCN(C(=O)C#CC(C)C)CC1 1074578990 XYZVNYDMDCKXTO-UHFFFAOYSA-N 323.393 -0.748 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC(O)(CNC(=O)[C@@H](C)C#N)CC1 1074588785 SSJMAOYZCMKFJP-QWHCGFSZSA-N 321.377 -0.346 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(C(=O)Cn2ncnn2)[C@H](C)C1 1074894287 OGKHFNSHZBKIFR-VXGBXAGGSA-N 322.369 -0.629 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CCN(C(=O)COC)[C@H](C)C1 1074941438 KORIDLMPBYMOPB-NEPJUHHUSA-N 309.366 -0.732 30 20 DBED C#CCOCCC(=O)N[C@@H](C)CCNC(=O)c1nnn(C)c1C 1076021075 KRHVFSOANVCYGD-NSHDSACASA-N 321.381 -0.212 30 20 DBED C=CCOCC(=O)N[C@@H](C)CCNC(=O)[C@@]1(C)CNC(=O)C1 1077452126 KALGGLOUSCSJAH-XHDPSFHLSA-N 311.382 -0.274 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)CN2C(=O)Cc3ccccc32)C1 1077739285 LCEWAXHAEKFHEP-UKRRQHHQSA-N 313.357 -0.630 30 20 DBED C#CCNC(=O)CC(=O)N1CCOC2(CCN(C(C)=O)CC2)C1 1079138364 AWYZPYMKKZLZJL-UHFFFAOYSA-N 321.377 -0.634 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)COC)C1 1079194215 NJFWDUXQUUPQGC-AWEZNQCLSA-N 307.394 -0.210 30 20 DBED C=C[C@](C)(O)CC(=O)N(CC)C1CN(C(=O)c2cn(C)nn2)C1 1079684827 SCJUNRWGOKXASD-HNNXBMFYSA-N 321.381 -0.185 30 20 DBED CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)Cc2n[nH]c(C)n2)C1 1080413282 VHGZLEYPZMFDBY-VIFPVBQESA-N 304.354 -0.125 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2ccccn2)C1 1081169597 NUKCYZRSDGYLTB-OCCSQVGLSA-N 319.361 -0.167 30 20 DBED C#CCOCCC(=O)N1C[C@H](CNC(=O)C=C(C)C)[C@@H](O)C1 1081228993 VLRNSGOXQPXKGV-KBPBESRZSA-N 308.378 -0.072 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)Cn2cccn2)C1 1081253312 FCYVZYSYVPLSQO-QWHCGFSZSA-N 306.366 -0.215 30 20 DBED C=C1CC(C)(C(=O)N2C[C@H](CNC(=O)CC(N)=O)[C@@H](O)C2)C1 1081371319 NBROOEQLPGVXPP-QWRGUYRKSA-N 309.366 -0.846 30 20 DBED C=CCCC(=O)N1C[C@H](CNC(=O)[C@@H]2[C@H]3COC[C@H]32)[C@@H](O)C1 1081672281 WDMNZPZHEDIIKU-DKBOKBLXSA-N 308.378 -0.220 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2cn([C@@H]3CCOC3)nn2)C[C@H]1C 1082847725 VQORONNXNAYYAG-JHJVBQTASA-N 303.366 -0.077 30 20 DBED CCc1ncnc(CC)c1C(=O)N[C@@H]1CN(CC#N)C[C@@H]1O 1083786301 SMKZEJYWPWKLAI-OLZOCXBDSA-N 303.366 -0.100 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2cc(Cn3cccn3)on2)C1 1083932182 UIZCQLJPLDLBDQ-KGLIPLIRSA-N 315.333 -0.673 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)c2c(OC)ncnc2OC)C1 1084118483 AIISRNGPTYHDEL-MNOVXSKESA-N 320.349 -0.708 30 20 DBED Cn1cc([C@@H]2CN(C(=O)c3cn(C)nn3)C[C@H]2NCC#N)cn1 1086977999 YJGZGLPPGAELCI-NWDGAFQWSA-N 314.353 -0.730 30 20 DBED CC[C@@H]1[C@@H](NC(=O)CN2CCN(C)C(=O)C2)CCN1CC#N 1087630738 VGYITZSUBNOKRN-QWHCGFSZSA-N 307.398 -0.747 30 20 DBED N#CCN1CC[C@@H](NC(=O)Cc2n[nH]c3c2CCCC3)[C@H](O)C1 1090265111 JWXADKGKFRBOEV-UKRRQHHQSA-N 317.393 -0.094 30 20 DBED CC(C)N(C)CC(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1O 1090440056 RLXRVPJIFVBLSP-CHWSQXEVSA-N 318.381 -0.646 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(c2cc(F)ncn2)C[C@H]1O 1090488371 HVAVCDYXEHTKRA-GMTAPVOTSA-N 308.313 -0.680 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(c2cccc(F)n2)C[C@H]1O 1090495804 ZJMPOGLOERQXBH-VXGBXAGGSA-N 307.325 -0.074 30 20 DBED Cc1ccn(CC(=O)N[C@@H]2CCN(CC#N)C[C@@H]2O)c(=O)c1 1090604109 ANCZPXZCJLQEPM-OLZOCXBDSA-N 304.350 -0.768 30 20 DBED C#CCN1CC[C@@H](NC(=O)C2(N3CCOCC3)CCC2)[C@@H](O)C1 1090687042 RJEQMJSKNGREBV-CABCVRRESA-N 321.421 -0.574 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)c2cccnc2C(N)=O)[C@H](O)C1 1090824087 KRQNXPJHPXVWAN-QWHCGFSZSA-N 318.377 -0.078 30 20 DBED COc1ncnc(OC)c1C(=O)N[C@H]1CCN(CC#N)C[C@@H]1O 1090843077 GAWLHVVJXMMKQB-UWVGGRQHSA-N 321.337 -0.818 30 20 DBED COC[C@@H](C)CC(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1091137884 XMQMIYQFSVCVPN-UHTWSYAYSA-N 319.365 -0.313 30 20 DBED CCCOCC(=O)N[C@H]1CCN(c2cncc(C#N)n2)C[C@@H]1O 1092141997 CKHGYTGKOBRPJR-STQMWFEESA-N 319.365 -0.169 30 20 DBED N#Cc1nc(=NCCCNC(=O)c2ccn3nnnc3c2)cc[nH]1 1094700265 HMDZYKYSNSLZOM-UHFFFAOYSA-N 323.320 -0.560 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H]1CCN(C(=O)CNC(=O)C2CC2)C1 1095014419 ALUHXNDYMACOJO-CYBMUJFWSA-N 313.361 -0.086 30 20 DBED N#Cc1c[nH]ccc1=N[C@H](CNC(=O)C1(C(N)=O)CC1)C1CC1 1096794791 DYWVBICFMXIYFW-CYBMUJFWSA-N 313.361 -0.053 30 20 DBED CC(C)C[C@@H](C(N)=O)C(=O)NC[C@H](C)N=c1cc[nH]c(C#N)n1 1097935500 ZDQSVFDNXKSPRF-QWRGUYRKSA-N 318.381 -0.166 30 20 DBED CNC(=O)NCCC(=O)N1CCC(N(CC#N)CCO)CC1 1098362589 RGQFKXYBTGJYHH-UHFFFAOYSA-N 311.386 -0.886 30 20 DBED C#CCN1C[C@@H]2CCC[C@]2(NC(=O)Cn2ccc(O)nc2=O)C1 1098927844 WNVLJVGXCVFCAH-LRDDRELGSA-N 316.361 -0.447 30 20 DBED C=CCCC(=O)N[C@@H]1CCN(Cc2nc(=O)n(C)[nH]2)C[C@H]1O 1099728263 WFPMSOYWXOYUIV-GHMZBOCLSA-N 309.370 -0.874 30 20 DBED Cc1cc(N(C)CCNC(=O)CS(C)(=O)=O)c(C#N)cn1 1099976453 JMFVMVNFSAAMOK-UHFFFAOYSA-N 310.379 -0.141 30 20 DBED N#CCNC(=O)CNC1CC(CNC(=O)c2ccc(F)nc2)C1 1100189233 ZRQIFYFXLDAGGK-UHFFFAOYSA-N 319.340 -0.042 30 20 DBED CCN(CCNC(=O)[C@H]1CCCNC1=O)c1cncc(C#N)n1 1100640142 LJDXVZGSAKMORD-LBPRGKRZSA-N 316.365 -0.183 30 20 DBED C#CCNC(=O)CC(=O)NCCN(c1nccnc1F)C1CC1 1101317438 AGFWEZIFGNWWFD-UHFFFAOYSA-N 319.340 -0.160 30 20 DBED CNC(=O)CC(=O)NCCN(c1ccnc(C#N)n1)C1CC1 1101327558 VJQZRIPKDYDGPQ-UHFFFAOYSA-N 302.338 -0.431 30 20 DBED CN(CCN=c1cc[nH]cc1C#N)C(=O)c1cccn2nnnc12 1101789485 FZOQIKGGUOXOKR-UHFFFAOYSA-N 322.332 -0.003 30 20 DBED CC[C@H](CNC(=O)CO[C@@H]1CCOC1)N=c1cc[nH]c(C#N)n1 1103196184 KNSDMFUUMRYGFB-VXGBXAGGSA-N 319.365 -0.118 30 20 DBED COCC#CCNCC[C@@H]1CN(C(=O)CNC(C)=O)C[C@H]1C 1103826111 RVCGQIDEQKQVCQ-UKRRQHHQSA-N 309.410 -0.154 30 20 DBED C[C@@H](CNC(=O)Cn1ncnn1)CNc1ccc(C#N)nn1 1104095524 XQMUGJFMUDFWOH-SECBINFHSA-N 301.314 -0.801 30 20 DBED C[C@H](CNC(=O)CC(=O)N(C)C)CNc1nccnc1C#N 1104229848 WZWDZLSTXOCGJQ-SNVBAGLBSA-N 304.354 -0.009 30 20 DBED C#CCNCC[C@@H]1CN(C(=O)CN(C)S(C)(=O)=O)C[C@H]1C 1104257965 LJVFVWWIFDHHDZ-CHWSQXEVSA-N 315.439 -0.415 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)[C@@H]1CCC(=O)NC1 1104263824 RUDGSDMMQRFLTN-WDEREUQCSA-N 316.365 -0.539 30 20 DBED C#CCNCc1cn(C2CN(C(=O)[C@@H]3C[C@H]3OCC)C2)nn1 1105171152 AVVQCGBSVQXPQN-ZIAGYGMSSA-N 303.366 -0.191 30 20 DBED CC(=O)NCC(=O)NC[C@H](O)CNc1cccc(F)c1C#N 1105711324 APKJMKSBHWQUDO-SNVBAGLBSA-N 308.313 -0.278 30 20 DBED CCCOCC(=O)NC[C@@H](O)CNc1nc(C)cc(C#N)n1 1105732221 LQIXZGZEJJZWFH-GFCCVEGCSA-N 307.354 -0.028 30 20 DBED Cc1cc(C#N)nc(NC[C@H](O)CNC(=O)[C@@H]2CCOC2)n1 1105738074 OFTXBEBYALFOIV-ZYHUDNBSSA-N 305.338 -0.418 30 20 DBED C=CCOCC(=O)NC[C@@H](O)CNc1cc(COC)ncn1 1105747596 KEFSFLMWLBMXFO-LBPRGKRZSA-N 310.354 -0.285 30 20 DBED CN1CCOC[C@H]1C(=O)NC[C@H](O)CNc1ncccc1C#N 1105829436 SDROMQNWUWXIKH-OLZOCXBDSA-N 319.365 -0.827 30 20 DBED C=CCO[C@@H](C)C(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1 1105891576 GRTVQHALLMXCSS-QWRGUYRKSA-N 305.338 -0.750 30 20 DBED CC(=O)NC(C)(C)C(=O)NC[C@H](O)CNc1ncccc1C#N 1105898729 QPCLPKOJKGEWPI-GFCCVEGCSA-N 319.365 -0.243 30 20 DBED CCN(C)CCC(=O)NC[C@H](O)CNc1cnc(C#N)cn1 1105943833 BYCVMKVJIISKPB-GFCCVEGCSA-N 306.370 -0.421 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)[C@H]2CCN(C)C2)C[C@H]1C 1106981087 GBPQGHOXYVSIFC-QLFBSQMISA-N 320.437 -0.628 30 20 DBED C=CCOCC(=O)NCc1cn(C2CN(C[C@H](C)O)C2)nn1 1107146714 OKYXSCXXSQKZEP-NSHDSACASA-N 309.370 -0.666 30 20 DBED CN(C)C1(C(=O)NCc2cn(C3CN(CC#N)C3)nn2)CCC1 1107179675 PYFNBEHVVVXUIS-UHFFFAOYSA-N 317.397 -0.241 30 20 DBED C=CCOCC(=O)NC[C@@]1(C)CN(Cc2nncn2C)CCO1 1107810644 FNBAULPCGTZNTA-HNNXBMFYSA-N 323.397 -0.275 30 20 DBED COCC#CCN1CCO[C@](C)(CNC(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1108142040 JVJJWFUYCMEJAI-WBTNSWJXSA-N 322.405 -0.264 30 20 DBED C[C@H](CNc1cncc(C#N)n1)NC(=O)[C@H]1CN(C)C[C@@H](C)O1 1108191255 ZCGPREHIVGGWSA-NQBHXWOUSA-N 318.381 -0.016 30 20 DBED C[C@@H](CNc1ccc(C#N)cn1)NC(=O)CN1CCNC(=O)C1 1108633094 XYHOFZAGUGPAMQ-NSHDSACASA-N 316.365 -0.698 30 20 DBED Cc1ccc(C#N)c(NC[C@H](C)NC(=O)[C@@H]2CNC(=O)N2)n1 1108669099 NDJUUKOHXJJRKG-ONGXEEELSA-N 302.338 -0.140 30 20 DBED C[C@H](CN(C)c1cnc(C#N)cn1)NC(=O)c1nccnc1N 1108885465 CZHAQVPEWQCTFR-SECBINFHSA-N 312.337 -0.025 30 20 DBED C[C@@H](CN(C)c1cncc(C#N)n1)NC(=O)c1cn(C)nn1 1108925645 YMUFZRIYRUQGRS-VIFPVBQESA-N 300.326 -0.269 30 20 DBED COC[C@H](OC)C(=O)N[C@@H](C)CN(C)c1ccc(C#N)nn1 1109219664 MZRUDLBVRHQXKL-JQWIXIFHSA-N 307.354 -0.049 30 20 DBED C[C@@H](CN(C)c1ccc(C#N)nn1)NC(=O)[C@H]1C[C@H]1C(N)=O 1109243558 ZJFMQMLVJGXXEJ-GDPRMGEGSA-N 302.338 -0.589 30 20 DBED CS(=O)(=O)CC(=O)NCC1(Nc2ccnc(C#N)n2)CC1 1110073689 JCZKQWMYFXRYHU-UHFFFAOYSA-N 309.351 -0.546 30 20 DBED C[C@@]1(NC(=O)Cn2ncnn2)CCN(c2ccncc2C#N)C1 1110786611 XTNHOSQSWUTYFF-CQSZACIVSA-N 312.337 -0.275 30 20 DBED C[C@]1(CNc2cncc(C#N)n2)CCN(C(=O)CNC(N)=O)C1 1110829235 UFEJYZJERACELB-CQSZACIVSA-N 317.353 -0.333 30 20 DBED N#Cc1cnc(NCCN(CCO)C(=O)[C@@H]2[C@H]3COC[C@H]32)cn1 1111536580 VDPONINAHDLBEP-IMRBUKKESA-N 317.349 -0.527 30 20 DBED CCN(CCC#N)C(=O)CN1CCN(C(=O)c2cn[nH]c2)CC1 1112634681 WPGNLGOLCAHLQH-UHFFFAOYSA-N 318.381 -0.070 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)[C@H]2COCCN2C)CC1 1112770300 JTQKPGXEOYMXTQ-ZIAGYGMSSA-N 324.425 -0.848 30 20 DBED C[C@H](Nc1cncc(C#N)n1)[C@@H](C)NC(=O)Cn1cnnn1 1112904933 FTGQCKCVKKQEHJ-DTWKUNHWSA-N 301.314 -0.660 30 20 DBED COCC#CCN1CCN(C(=O)C[C@H]2CCC(=O)N2C)CC1 1113183163 GYVDVZFOMVCQOI-CQSZACIVSA-N 307.394 -0.209 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)CC(=O)N(C)C)CC1 1113413325 SRNOWNOHUXQCKO-GFCCVEGCSA-N 310.398 -0.700 30 20 DBED CC(=O)NCC(=O)N[C@H]1CN(c2ccc(C#N)nn2)CC[C@H]1C 1113994615 PTQLMWICVRGREL-MFKMUULPSA-N 316.365 -0.185 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)C3=COCCC3)[C@H]2C1 1114001574 FGBMYEQSWHQSHT-RZFFKMDDSA-N 317.389 -0.135 30 20 DBED C=CCOCCN1C[C@@H]2C(NC(=O)C(=O)NCC(F)F)[C@H]2C1 1114508038 QOMQJBSUZZYGMJ-UWVGGRQHSA-N 317.336 -0.383 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@@H](C)CCCOC)[C@H]2C1 1115086337 SCSGUDXIQANMQI-TTZDDIAXSA-N 321.421 -0.155 30 20 DBED Cc1nsc(N(C)CCOCCNC(=O)C(N)=O)c1C#N 1115250274 LRTHLWAIMIAZBA-UHFFFAOYSA-N 311.367 -0.623 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)[C@H](CC(C)C)C(N)=O)[C@@H]2C1 1115360568 JPLNQYRYXOFKFV-MGPQQGTHSA-N 321.421 -0.170 30 20 DBED N#Cc1cncc(NCCCOCCNC(=O)c2cnn[nH]2)n1 1115456996 QUVDHBXYUCFYDN-UHFFFAOYSA-N 316.325 -0.285 30 20 DBED CN(C[C@H]1COCCO1)C(=O)C(=O)Nc1cccc(C#N)n1 1118444475 NIIIYJGLYMFXFE-NSHDSACASA-N 304.306 -0.234 30 20 DBED C=CCSCCNC(=O)C(=O)N1CCC(O)(CO)CC1 1118665897 HBCKDOPGMSWFST-UHFFFAOYSA-N 302.396 -0.632 30 20 DBED C#CC[C@H](NC(=O)CN1CCN(c2ccccn2)CC1)C(=O)O 1119644776 LAFGSLNVGOGUOH-ZDUSSCGKSA-N 316.361 -0.204 30 20 DBED C[C@H](CN(C)C(=O)C1(C(N)=O)CC1)Nc1ccc(C#N)nn1 1120554714 LNLRPCPYTJFPCI-SECBINFHSA-N 302.338 -0.127 30 20 DBED C[C@H](C(=O)NC[C@H](CO)Nc1ncccc1C#N)n1cncn1 1121345896 HPGNUNHAVAIZRB-ZYHUDNBSSA-N 315.337 -0.305 30 20 DBED CN1CC[C@H](C(=O)NC[C@H](CO)Nc2cncc(C#N)n2)C1 1121591521 QBTKTDSOINCTAG-CMPLNLGQSA-N 304.354 -0.811 30 20 DBED Cc1nonc1CC(=O)NC[C@@H](CO)Nc1ncccc1C#N 1121955985 GQJCMXFXQRJGFV-NSHDSACASA-N 316.321 -0.224 30 20 DBED N#Cc1cnc(N[C@@H](CO)CNC(=O)c2cncnc2O)cn1 1122170375 BRIBXGXREAUMFT-SECBINFHSA-N 315.293 -0.953 30 20 DBED N#Cc1cnc(N[C@@H](CO)CNC(=O)[C@]2(F)CCOC2)cn1 1122411520 QOPSLKGUCQYCPD-MFKMUULPSA-N 309.301 -0.634 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)CCc2cnn[nH]2)nc1 1122586217 WVHPBFWFSPQZRS-LBPRGKRZSA-N 315.337 -0.407 30 20 DBED C=CCn1cc(C(=O)NC[C@H](CO)Nc2nccnc2F)nn1 1122673858 OPPFPYKVOXDSOE-SECBINFHSA-N 321.316 -0.404 30 20 DBED CNC(=O)CC(=O)N1CC[C@@H](Nc2cncc(C#N)n2)[C@H]1C 1122972056 SKGPMOBIUKYASP-MWLCHTKSSA-N 302.338 -0.114 30 20 DBED C[C@H]1C[C@H](Nc2nccnc2C#N)CN1C(=O)CNC(N)=O 1123144245 ABUPRSASTYATAD-IUCAKERBSA-N 303.326 -0.582 30 20 DBED CC(=O)NCC(=O)N[C@H]1CCCN(c2cnc(C#N)cn2)[C@@H]1C 1123514326 PYUXZULQOSWDIJ-MFKMUULPSA-N 316.365 -0.042 30 20 DBED Cc1ncc(C(=O)N(C)C[C@@H](O)CNc2nccnc2C#N)[nH]1 1124208271 WTMSWEBGNQRWDF-JTQLQIEISA-N 315.337 -0.075 30 20 DBED COCCN(CCNC(=O)CC(N)=O)c1ncc(C#N)cc1F 1126254712 MXFWYJIQFMQPDQ-UHFFFAOYSA-N 323.328 -0.463 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CCc2nnc(CNCCO)n2CC1 1127965346 SMFRSVQDEBLBEG-GHMZBOCLSA-N 306.370 -0.659 30 20 DBED CCC(=O)N[C@@H](C)C(=O)NCc1cnn2c1CN(CC#N)CC2 1128363350 XUDNJXVZSOKDKA-NSHDSACASA-N 318.381 -0.247 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](n2ccnn2)[C@H](NCC(=O)NC)C1 1129959405 URAWFBLEVPHGGO-NEPJUHHUSA-N 320.397 -0.422 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1ccc2nc[nH]c2n1 1130122361 RAFAJEMNNPAXHJ-UHFFFAOYSA-N 302.338 -0.421 30 20 DBED C=C(C)CN1CCNC(=O)CCN(C(=O)CC(=O)NCC)CC1 1131357084 GQIURMZVOBJTIH-UHFFFAOYSA-N 324.425 -0.261 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2cn(C)cn2)CC[C@@H]1C 1131955724 PSZYWLNDSMPSCZ-STQMWFEESA-N 317.393 -0.248 30 20 DBED C#CCN1C[C@H](NC(=O)CCS(=O)(=O)NC)CC[C@H]1C 1132038154 PKDLYESURPDFNF-VXGBXAGGSA-N 301.412 -0.472 30 20 DBED C=CCNC(=O)CN1C[C@H](NC(=O)c2cnon2)CC[C@@H]1C 1132368485 NWZGWEKVKGDAJL-WDEREUQCSA-N 307.354 -0.046 30 20 DBED C#CCOCCC(=O)N[C@@H](C)C[C@@H](C)NCC(=O)NC(N)=O 1134352372 QCSZCZUHLMDJHA-MNOVXSKESA-N 312.370 -0.906 30 20 DBED C#CCNC(=O)CN1CCCO[C@@H](CNC(=O)[C@H]2C[C@@H]2C)C1 1150085523 PGKWQUZCFFZJHQ-IHRRRGAJSA-N 307.394 -0.401 30 20 DBED COc1ccccc1CCC(=O)NCCNCC(=O)NCC#N 1150218759 HPHLDQKBJBODMO-UHFFFAOYSA-N 318.377 -0.027 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)[C@@H](C)N1CCCCC1=O 1152169112 IQELEXSZAVOCIJ-QWHCGFSZSA-N 324.425 -0.216 30 20 DBED C=CCCOCC(=O)NCCNCC(=O)NC(=O)NCCC 1153081422 RRPILCNIAZPWQX-UHFFFAOYSA-N 314.386 -0.479 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1cc(N(C)C)ccn1 1153350565 CIGNZGPPQFVVRT-LBPRGKRZSA-N 317.393 -0.395 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)[C@@H](C)NC(=O)C1CCC1 1153699458 DQXFEQKHHXEPDR-NWDGAFQWSA-N 324.425 -0.312 30 20 DBED CCN(CC#CCOC)[C@H](C)CNC(=O)C[C@H]1CCNC1=O 1153798793 DABLSYDCGSNVNA-ZIAGYGMSSA-N 309.410 -0.011 30 20 DBED C#CCN1CCC(C(=O)NC[C@@H](C)N(CC)CC(=O)NC)CC1 1157092073 JARJPWJHXQPRFO-CQSZACIVSA-N 322.453 -0.096 30 20 DBED N#CCNC(=O)CNCCCNC(=O)CCCNC(=O)C1CC1 1159270261 MLTWYUUBPKSGMX-UHFFFAOYSA-N 323.397 -0.972 30 20 DBED C#CCCN1CC=C(CCNC(=O)Cn2ncn(C)c2=O)CC1 1160560174 ZUWCRSAEQWSQDN-UHFFFAOYSA-N 317.393 -0.257 30 20 DBED C[C@H](NS(C)(=O)=O)C(=O)NCCC1=CCN(CC#N)CC1 1161320967 RYTNLDRDVLJHSV-NSHDSACASA-N 314.411 -0.414 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NCCCNCc1nnn(C)n1 1167685837 XYQAJBYVLZVRMA-LBPRGKRZSA-N 323.401 -0.723 30 20 DBED C=CCNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)CCOC)C1 1180592551 AJMAXOMHSRMCHS-LLVKDONJSA-N 312.370 -0.775 30 20 DBED C[C@@H]1CN(C(=O)CN(C)S(C)(=O)=O)CC[C@H]1CNCC#N 1184523709 NMTVTQGEBMPEQT-NEPJUHHUSA-N 316.427 -0.524 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2cnc(O)n2C)C1 1184850305 ZFMNDMUFMZBKIB-WDEREUQCSA-N 319.365 -0.932 30 20 DBED C[C@@H]1CN(C(=O)CN2C(=O)CCC2=O)CC[C@@H]1CNCC#N 1185643395 WUPDFDYFDZFIDP-VXGBXAGGSA-N 306.366 -0.267 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H]2CCN(C(=O)CCN(C)C)[C@@H]2C1 1189062288 QKZIIMMUVGIABF-SOUVJXGZSA-N 320.437 -0.391 30 20 DBED C[C@@H]1CCCN1CC(=O)N1CC[C@@H](N(C)CC(=O)NCC#N)C1 1192342573 HAQJSNBXQVIEKR-ZIAGYGMSSA-N 321.425 -0.357 30 20 DBED C=CCNC(=O)NC(=O)CN1CCCN(C(=O)COC)CC1 1194589964 BLJSHSGKMYYTIF-UHFFFAOYSA-N 312.370 -0.821 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)c2oncc2C)C1 1197433076 FDBBHSOFSWTFJU-IJLUTSLNSA-N 322.365 -0.551 30 20 DBED C=CCNC[C@H]1CN(C(=O)CN(C)S(C)(=O)=O)CCCO1 1200647914 CYTRJPBVGZDSLY-LBPRGKRZSA-N 319.427 -0.729 30 20 DBED CN1CC[C@@H](C(=O)N2CCCO[C@@H](CNCC#N)C2)CC1=O 1200824809 SDYCZAVQUBGUKQ-OLZOCXBDSA-N 308.382 -0.415 30 20 DBED C#CCNC[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)C2)CCCO1 1200909965 CBUUCDUODFPIKM-CHWSQXEVSA-N 314.407 -0.739 30 20 DBED C#CCCNC[C@H]1CN(C(=O)[C@@H]2CCCN2C(N)=O)CCCO1 1202235738 MJJUKKBJYCJIHK-KBPBESRZSA-N 322.409 -0.240 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)c2ccnn2C)[C@H](C)C1 1206447016 DRQFDOTVSRCXNH-FRRDWIJNSA-N 317.393 -0.392 30 20 DBED C#CCNCC1CCN(C(=O)[C@@H]2CCN(C)S2(=O)=O)CC1 1206556311 OWEXTXOBHJLGFY-ZDUSSCGKSA-N 313.423 -0.518 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)c2cnsn2)C1 1207498853 ONBNOJCYWSXNSD-SNVBAGLBSA-N 307.379 -0.518 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)c2[nH]c(O)nc2C)[C@H](C)C1 1207656206 YTWPYYHLNCSZKW-MWLCHTKSSA-N 321.381 -0.224 30 20 DBED CC(C)N(C)C(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H](C)C#N 1217527546 DCAAXOMANRAPRJ-HZSPNIEDSA-N 322.409 -0.076 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CN(Cc2ccccc2C#N)C[C@@H]1O 1219104775 CKIXKRPODUAAEA-CABCVRRESA-N 316.361 -0.644 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CN(Cc2ncnn2CCF)C[C@@H]1O 1219379061 MLEUVYRTKLBNHO-MXWKQRLJSA-N 310.333 -0.931 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(CCn2cccn2)C[C@@H]1O 1219517043 OFNNIMUDTHMDLQ-IPYPFGDCSA-N 308.382 -0.629 30 20 DBED C=C[C@](C)(CC)C(=O)N[C@@H]1CN(CC(=O)N2CCC2)C[C@@H]1O 1220292387 WQEYJMCFYCHQTR-DVOMOZLQSA-N 309.410 -0.018 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)[C@H]2CCCOC2)CC1 1222578650 CSJNYLRSXFWPMT-HNNXBMFYSA-N 321.421 -0.009 30 20 DBED COCC#CCN1CCC(NC(=O)[C@H]2CCC(=O)NC2)CC1 1228114084 PNIGUQDWMHADTF-ZDUSSCGKSA-N 307.394 -0.257 30 20 DBED C=CCNC(=O)NC(=O)CN1CC[C@@H]1CN(C)C(=O)C(F)F 1230575992 QTPZMUWCOQLJEK-SECBINFHSA-N 318.324 -0.204 30 20 DBED CN(C[C@H]1CCN1CC(=O)NCC#N)C(=O)C[C@H]1CCCO1 1230865649 GMRRMSYAQRAKOR-CHWSQXEVSA-N 308.382 -0.272 30 20 DBED C=CCn1c(-c2nc[nH]n2)nnc1N1CC(=O)N(C)C[C@@H]1C 1262984439 QDMOFUKDMSLOPE-VIFPVBQESA-N 302.342 -0.084 30 20 DBED CCNC(=O)[C@@H](C)NC(=O)C(=O)Nc1cc(C)nn1CCC#N 1319554608 WGRKJXUGZHSIBN-SNVBAGLBSA-N 320.353 -0.316 30 20 DBED COC(=O)[C@@H](C)CNC(=O)C(=O)Nc1ccn(CCC#N)n1 1322448911 HGISQYPIZATCOD-VIFPVBQESA-N 307.310 -0.339 30 20 DBED CN(C[C@@H](O)C1CC1)C(=O)C(=O)NC1CCN(CC#N)CC1 1322624247 ZNILLJBYERATHN-CYBMUJFWSA-N 308.382 -0.680 30 20 DBED C=CCN(C(=O)c1ccc(C(N)=O)nc1)[C@H]1CCS(=O)(=O)C1 1324553831 VWCQSCPMGPSXKD-NSHDSACASA-N 323.374 -0.004 30 20 DBED C=C[C@@H](COC)NC(=O)CNC(=O)CNC(=O)OC(C)(C)C 1325637960 BJWBCKWQGJJZBW-JTQLQIEISA-N 315.370 -0.056 30 20 DBED C=CCNC(=O)C[S@](=O)Cc1nnn(CC(F)(F)F)n1 1327381887 IZMDILWSLFLYQC-HXUWFJFHSA-N 311.289 -0.214 30 20 DBED C=CCN(CC=C)C(=O)C(=O)NC1CCN(CC(=O)NC)CC1 1327544248 WKZKEPSFVNCZJW-UHFFFAOYSA-N 322.409 -0.486 30 20 DBED C=C[C@H](O)C(=O)NCc1cccnc1N1CCC(C(N)=O)CC1 1328209649 POVFMXPTNBSXKM-ZDUSSCGKSA-N 318.377 -0.054 30 20 DBED N#Cc1ncn(CCNC(=O)C2(C(=O)NC3CC3)CCC2)n1 1328587109 ZAYYNCPMABWGIH-UHFFFAOYSA-N 302.338 -0.285 30 20 DBED CC(C)N[C@@H]1CCCN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)C1 1332371791 IADNJSPUDVMZHU-CZUORRHYSA-N 322.409 -0.148 30 20 DBED C[C@H](NC(=O)C(=O)N1CCC[C@H](C#N)C1)[C@H]1CN(C)CCO1 1333530846 ZWKNUDRFSWZJIB-YNEHKIRRSA-N 308.382 -0.416 30 20 DBED C#CCN1CCC[C@H](NC(=O)C(=O)Nc2cncnc2OC)C1 1333584937 UFCCVRYIQGTPRJ-NSHDSACASA-N 317.349 -0.363 30 20 DBED O=C(NCC#CCO)N1CCC[C@]2(CCS(=O)(=O)C2)C1 1334341017 IOYQDYHBAUBFCH-ZDUSSCGKSA-N 300.380 -0.408 30 20 DBED CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)NCC#N)cc1 1339478833 BLGMLKUBMUYJCD-UHFFFAOYSA-N 309.347 -0.198 30 20 DBED CCC(=O)N1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)C1 1345700954 WJHOKKNHJNIBDC-TUAOUCFPSA-N 306.366 -0.078 30 20 DBED N#CCCN1CCN(C(=O)C(=O)NCc2cccc(F)n2)CC1 1349331924 ORMCNEKFSSQZHY-UHFFFAOYSA-N 319.340 -0.105 30 20 DBED C#CCN(CC)c1nnnn1C[C@@H]1CC[C@H](C(=O)N(C)C)O1 1352613490 ZFDCSLBUTGCHFH-NWDGAFQWSA-N 306.370 -0.232 30 20 DBED C[C@@H]1CN(C(=O)Cn2cc(C#N)c(O)nc2=O)C[C@]1(C)CO 1362680341 CFFUUJQBRGLDHO-YMTOWFKASA-N 306.322 -0.703 30 20 DBED Cc1cc(CNC[C@@H](O)CNC(=O)c2cc(C#N)c[nH]2)nn1C 1379181940 NRNKUSXLNZPFBP-CYBMUJFWSA-N 316.365 -0.191 30 20 DBED CC(C)N(C(=O)CNC[C@H](O)CNC(=O)[C@H](C)C#N)C(C)C 1379189822 OPFGUDQTVJEFOB-OLZOCXBDSA-N 312.414 -0.142 30 20 DBED C[C@H](C#N)C(=O)N1CCN(CCNC(=O)c2cc[nH]n2)CC1 1385519312 IRVKQSMVMFNZRA-LLVKDONJSA-N 304.354 -0.557 30 20 DBED COc1nn(C)cc1C(=O)NC1(CNC(=O)[C@@H](C)C#N)CC1 1389966142 YFGOQUPEGMDGEJ-VIFPVBQESA-N 305.338 -0.033 30 20 DBED CCOc1nc(C(=O)NC[C@@H](O)CNC(=O)[C@H](C)C#N)co1 1392142294 HGYPBEBZKPMSJK-BDAKNGLRSA-N 310.310 -0.560 30 20 DBED C[C@H](C#N)C(=O)NCC1CN(C(=O)[C@H]2CCN(C)C(=O)C2)C1 1398817576 XHLVMZKCOGWPOR-PWSUYJOCSA-N 306.366 -0.411 30 20 DBED CC(C)n1ncnc1CN1CC(O)(CNC(=O)[C@H](C)C#N)C1 1402322926 QFFUWAMDVXCPPF-LLVKDONJSA-N 306.370 -0.318 30 20 DBED CN1CCCC[C@@H](CNC(=O)Cn2cc(C#N)c(O)nc2=O)C1 1413268201 CSCKGGSEBZCERR-NSHDSACASA-N 319.365 -0.331 30 20 DBED Cn1c(=O)[nH]c(N2CCC(N3CCOC3=O)CC2)c(C#N)c1=O 1413899786 GXRGHBIHKZLKNL-UHFFFAOYSA-N 319.321 -0.634 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NCC(=O)NC2CCOCC2)CC1 1420923413 UXBYSKFIMZRQCA-NSHDSACASA-N 308.382 -0.320 30 20 DBED C[C@H](C#N)C(=O)NCC1CN(CC(=O)Nc2cnccn2)C1 1421126420 CECUUSCKZCORCU-SNVBAGLBSA-N 302.338 -0.377 30 20 DBED Cc1cc(NC(=O)CN2CC(O)(CNC(=O)[C@@H](C)C#N)C2)on1 1423828720 KXKIAGDPTVCVLZ-VIFPVBQESA-N 321.337 -0.756 30 20 DBED COCCN(CCNC(=O)[C@H](C)C#N)C(=O)[C@@H]1COCCO1 1426071925 PCKVCQDDVPRBMZ-NEPJUHHUSA-N 313.354 -0.847 30 20 DBED CC1(C)C[C@@](C)(NC(=O)NCCn2cnc(C#N)n2)C(=O)O1 1427471594 OZSZVMIKHPXJPN-CYBMUJFWSA-N 306.326 -0.067 30 20 DBED CC[C@@]1(C)CN(C(=O)Cn2cc(C#N)c(O)nc2=O)CCO1 1433920105 FJZKLXBLKOXRQU-AWEZNQCLSA-N 306.322 -0.152 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1C[C@@H](NC(=O)C[C@H]2CCC(=O)N2)C1 1445958550 OSPXTQRXDVHJMV-KKOKHZNYSA-N 306.366 -0.174 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@@H](NC(=O)c2ccnc(C)n2)C1 1494790792 FNOPZJJUSNZEIS-WCQYABFASA-N 315.377 -0.273 30 20 DBED CC(C)C#CC(=O)N(C)C[C@@H](C)NCC(=O)NCc1cnn[nH]1 1575318907 SNDWYKZECJGDDC-GFCCVEGCSA-N 320.397 -0.483 30 20 DBED C#CCN(CC(=O)O)C(=O)c1ccc2c(c1)NC(=O)CNC2=O 1588418834 GVEOSBQKCXCIDH-UHFFFAOYSA-N 315.285 -0.472 30 20 DBED C#CCC1(O)CCN(C(=O)C(=O)N2CCC(C(=O)O)CC2)CC1 1588431969 SYGQNFNOCBBKTB-UHFFFAOYSA-N 322.361 -0.314 30 20 DBED C[C@H]1CN(CCc2cn(CC(=O)O)nn2)C[C@H](C)N1CC#N 1594532550 XYEHJNVHJOJHJW-RYUDHWBXSA-N 306.370 -0.177 30 20 DBED CN(C(=O)c1ccc(C#N)[nH]1)C1CN(C(=O)[C@H]2C[C@H]2C(=O)O)C1 1598083139 LJNAYZWDFRCMFL-WDEREUQCSA-N 316.317 -0.110 30 20 DBED COC(=O)c1cc(C(=O)O)nn1CC(=O)NC1(C#N)CCC1 1598923087 MJSZDUYFFYCSBU-UHFFFAOYSA-N 306.278 -0.070 30 20 DBED C#CCN(CC(=O)O)C(=O)C(=O)Nc1cc(C)n(CCC#N)n1 1602678989 JDFYJHHWIYICKZ-UHFFFAOYSA-N 317.305 -0.410 30 20 DBED C#CC[C@@H](NC(=O)[C@@H](C)S(=O)(=O)C1CCOCC1)C(=O)O 1602685348 RUXQTJNTPITEAW-MWLCHTKSSA-N 317.363 -0.439 30 20 DBED N#C[C@@H]1CNCC12CC(C(=O)N1CCO[C@H](CC(=O)O)C1)C2 1608179052 FIAMKBDONAEBBR-HFXYEQLZSA-N 307.350 -0.172 30 20 DBED N#Cc1ncn(CCNC(=O)N2CCC(C#N)(C(=O)O)CC2)n1 1608225639 WJKZQGFHLQYPPG-UHFFFAOYSA-N 317.309 -0.450 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)NCC1CCS(=O)(=O)CC1 1645764687 TZYHYHCQLGOJTP-SNVBAGLBSA-N 323.440 -0.120 30 20 DBED CCn1nncc1C(=O)NCC[C@H](C)NCC(=O)NCC#N 1700323165 SOLSGHIPFPXZMN-JTQLQIEISA-N 307.358 -0.964 30 20 DBED COC[C@H](O)CN1CCN(CCN(C)C(=O)C#CC2CC2)CC1 1714886008 IGHHGTLDCMPPMK-MRXNPFEDSA-N 323.437 -0.517 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)CCc2cncnc2)C1 1732152809 RSPXLOCMYQQHGJ-AWEZNQCLSA-N 317.393 -0.098 30 20 DBED C#CCNC(=O)CNC[C@H]1C[C@H](NC(=O)[C@H]2CCCN2C)C1 1734204561 QNLLXTNYVCZUIC-MGPQQGTHSA-N 306.410 -0.686 30 20 DBED CC#CCNC[C@@H]1CCN(C(=O)[C@@H](CCC)S(N)(=O)=O)C1 1752946452 WSBVDBCJHAZWHI-QWHCGFSZSA-N 315.439 -0.095 30 20 DBED C#CCNC(=O)[C@H](C)N(CCC)CCNC(=O)c1nc[nH]n1 1753148340 HTSHNDPMAOILRM-NSHDSACASA-N 306.370 -0.616 30 20 DBED C#CCNC(=O)[C@@H](C)NCCN(C)C(=O)c1cc(OC)ccn1 1753219404 OHXQJZCVAZPSAE-GFCCVEGCSA-N 318.377 -0.110 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC(NC(=O)c2coc(OCC)n2)C1 1753380935 ADSVDESMYGOFRB-SNVBAGLBSA-N 320.349 -0.375 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NC1CN([C@@H](C)C(=O)N(C)C)C1 1753388196 MJUORBRAVOAXDS-FZMZJTMJSA-N 324.425 -0.266 30 20 DBED C=CCNC[C@](C)(NC(=O)CN(C)S(C)(=O)=O)C1CC1 1753519127 XHFPCJBYPLLYII-ZDUSSCGKSA-N 303.428 -0.062 30 20 DBED C#CCNC(=O)CNC[C@@H](O)CNC(=O)C1(C(F)F)CCC1 1753926880 YSJXTNJJEWHHKL-SNVBAGLBSA-N 317.336 -0.762 30 20 DBED CNC(=O)NC(=O)CNCC[C@H](C)NC(=O)CSCC#N 1753949660 ATONMVMJXJHZCW-VIFPVBQESA-N 315.399 -0.817 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@@H]1CNC(=O)CCc1ccon1 1754489005 OKFXENSWFSILIK-GXTWGEPZSA-N 318.377 -0.064 30 20 DBED CC#CCN[C@@H]1CCN(C(=O)CCS(=O)(=O)NC)[C@H](C)C1 1754594797 HAANNPHJKQFRQO-CHWSQXEVSA-N 315.439 -0.082 30 20 DBED C#CCN(C(=O)Cc1ncc[nH]1)C1CCN(CC(=O)NC)CC1 1754642374 WRVBYTJYDKEPTI-UHFFFAOYSA-N 317.393 -0.376 30 20 DBED C#CCNC(=O)CN1CCC[C@](CO)(NC(=O)CCCC)C1 1754851401 MBTHDBZCSUAFKR-INIZCTEOSA-N 309.410 -0.131 30 20 DBED Cc1nc(CN2CC3(C[C@H](NC(=O)C#CC4CC4)CO3)C2)n[nH]1 1755061864 SLJQQSLMIIREIH-ZDUSSCGKSA-N 315.377 -0.014 30 20 DBED N#CCNC(=O)CNCC1(NC(=O)c2ccoc2)CCOCC1 1755093704 XTCGRLLGNRPBFC-UHFFFAOYSA-N 320.349 -0.212 30 20 DBED C#CCNC(=O)CN[C@H]1CN(C(=O)c2n[nH]c(C)c2C)C[C@H]1C 1755104669 IJKWFNCBCJIPLG-MFKMUULPSA-N 317.393 -0.174 30 20 DBED C#CCCN[C@@H](C)[C@H]1CN(C(=O)c2ccc(=O)n(C)n2)CCO1 1755447414 FTXLMWOYZAMOSF-GXTWGEPZSA-N 318.377 -0.377 30 20 DBED C=CCN[C@@H](CO)CNC(=O)c1ccnc(N2CCCC2)n1 1755644249 RPMRWZWSFDBOGJ-GFCCVEGCSA-N 305.382 -0.057 30 20 DBED C=CCOCC(=O)N[C@@H]1CCC[C@@H](NC(=O)c2nnn(C)n2)C1 1756228949 OJXSUCSDIRCGHT-GHMZBOCLSA-N 322.369 -0.430 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C1CCN(C(=O)c2cnn[nH]2)CC1 1756362247 SUYDGVDNHGLOMG-LLVKDONJSA-N 319.365 -0.094 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 1757167348 SLTFVNOFFPNVBF-OLZOCXBDSA-N 318.333 -0.610 30 20 DBED C[C@H](OC(=O)C1(C#N)CCC1)C(=O)N[C@@H]1CCS(=O)(=O)C1 1771675678 MMJXCFYEMFNSII-VHSXEESVSA-N 314.363 -0.085 30 20 DBED CC(=O)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)S)C2)C1 1783890151 PEXXSJMBEJSKQP-ZWNOBZJWSA-N 300.380 -0.276 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846194710 ISGHYOLXLDZPDP-LBPRGKRZSA-N 320.345 -0.131 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@@H](N)CCSC)CC1 40467190 MGWAFPLFRFHPAE-LBPRGKRZSA-N 314.455 -0.487 30 20 DBED O=C1CN=C(/N=C(\O)CNC(=O)c2cccc([N+](=O)[O-])c2)N1 50222759 ZDGUWLJUQLSXMC-UHFFFAOYSA-N 305.250 -0.233 30 20 DBED CCNC(=O)CN1CCN(CC(=O)N(CC)C[C@H](C)C#N)CC1 52534195 IWXXMSWGHAQOKG-CQSZACIVSA-N 323.441 -0.252 30 20 DBED N#Cc1c(F)cccc1S(=O)(=O)N1C[C@H](O)C[C@@H]1C(=O)O 69412933 PBCUAWYPEBSUCZ-GMSGAONNSA-N 314.294 -0.094 30 20 DBED COC(=O)C[C@H](NS(=O)(=O)c1ccccc1C#N)C(=O)O 70141571 RSKKVUPFQCAAEP-VIFPVBQESA-N 312.303 -0.147 30 20 DBED CN(CC#N)CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 78529560 OFORREMVDROKGW-UHFFFAOYSA-N 309.414 -0.499 30 20 DBED C#CCNS(=O)(=O)c1cccc(C(=O)Nc2nncn2C)c1 162986246 DNBXNCSLNTVGPS-UHFFFAOYSA-N 319.346 -0.021 30 20 DBED CCN1CCC[C@@H]1CN/C(N)=N/CCS(=O)(=O)NC(C)C 170913073 HPRPUWJHKWNRMO-GFCCVEGCSA-N 319.475 -0.297 30 20 DBED C=CCNC(=O)CNC(=O)Cn1c(=O)cnc2ccccc21 181666920 USSIJFNRTTZACG-UHFFFAOYSA-N 300.318 -0.185 30 20 DBED Cc1c(Br)cc(C#N)c(=O)n1CC(=O)NC(N)=O 185925104 IGTHLHKBDYGKRH-UHFFFAOYSA-N 313.111 -0.014 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCCOCC2CC2)C1=O 264509566 XKQRSUUPPJVXEO-UHFFFAOYSA-N 309.322 -0.494 30 20 DBED C=CCN1CC[C@@H](N2CCN(CC(=O)NC3CC3)CC2)C1=O 281869102 CAYVEKZQVWFRAJ-CQSZACIVSA-N 306.410 -0.331 30 20 DBED CC[C@](C)(C#N)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 285272868 YNTPJPYIYUPQLG-OAHLLOKOSA-N 306.366 -0.124 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)[C@H](CO)NC(=O)C(C)C)C1=O 291684161 NMXLMJOBJOTFRD-NWDGAFQWSA-N 311.382 -0.635 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 295756252 HMCCMNFGVGZSOY-UONOGXRCSA-N 323.393 -0.926 30 20 DBED C[C@@H]1CN(CCS(=O)(=O)c2ccc(C#N)cn2)CC(=O)N1 296261858 PXHPXUNWEFDFJJ-SNVBAGLBSA-N 308.363 -0.453 30 20 DBED O=C(CC/N=C(/O)N1[C@H]2CC[C@H]1[C@H](CO)C2)N1CCOCC1 329607520 MVEQESWYXNQAGJ-AVGNSLFASA-N 311.382 -0.006 30 20 DBED Cc1nc2n(n1)C[C@H](/N=C(/O)N1C[C@@H]3OCCN(C)[C@@H]3C1)CC2 329944880 WZTHWDBQICIJBC-UPJWGTAASA-N 320.397 -0.170 30 20 DBED CCCNC(=O)CC/N=C(/O)N1CC[C@H](S(C)(=O)=O)C1 330430276 VMPOIAPPYJNAKO-JTQLQIEISA-N 305.400 -0.064 30 20 DBED CN(CCC#N)S(=O)(=O)N1CC(=O)N(CC(F)(F)F)C1 331118487 ONOMUYMJFXHEQX-UHFFFAOYSA-N 314.289 -0.259 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@H](CCO)COC 336949764 SCZJUBIXHRQRNQ-LLVKDONJSA-N 309.388 -0.920 30 20 DBED COC(=O)[C@@H]1CCCCN1S(=O)(=O)N1CCO[C@@H](C#N)C1 336954453 XPZQMYBJPSWNGR-QWRGUYRKSA-N 317.367 -0.517 30 20 DBED CC(C)COC[C@H](O)CNS(=O)(=O)N1CCO[C@@H](C#N)C1 337085479 DKCCVRIEZBEEOG-NEPJUHHUSA-N 321.399 -0.921 30 20 DBED N#C[C@H]1CN(S(=O)(=O)NC[C@H](O)C2CCCCC2)CCO1 337090715 KCCACNALHXAKEO-STQMWFEESA-N 317.411 -0.014 30 20 DBED COCCO[C@H]1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)C1 337156804 PEKICAPZWDIISL-NWDGAFQWSA-N 319.383 -0.807 30 20 DBED C=CCn1c(COCC)nnc1N1CCO[C@H](C(=O)NC)C1 337810915 KWQUYSGZYNKUGM-NSHDSACASA-N 309.370 -0.048 30 20 DBED Cc1ccc(NS(C)(=O)=O)c(C(=O)NCC(=O)NCC#N)c1 344154677 PQTDNJXMSJQDQA-UHFFFAOYSA-N 324.362 -0.264 30 20 DBED N#CCNC(=O)CNS(=O)(=O)c1cccc2c1OCCO2 352538478 KSSVOFMNBJSKGS-UHFFFAOYSA-N 311.319 -0.624 30 20 DBED CC[C@@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C(N)=O 355271552 ZOPSCURPTQXFLI-GFCCVEGCSA-N 323.374 -0.147 30 20 DBED C=CCN(CCOC)S(=O)(=O)c1cnn(CC(=O)OC)c1 360044673 GYJCJPIOLYIBSG-UHFFFAOYSA-N 317.367 -0.121 30 20 DBED C#CCNC(=O)c1ccc(N2CCCN(CC(N)=O)CC2)nc1 365268031 QHSQPDDBTSTLEG-UHFFFAOYSA-N 315.377 -0.558 30 20 DBED C#CCOCCC(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 372306201 AXSFOGLQSFBKLD-CQSZACIVSA-N 323.393 -0.924 30 20 DBED C=CCOCCCC(=O)N1CCS(=O)(=O)[C@H](C(=O)O)C1 424249143 SUTJSUGWAFXMIM-JTQLQIEISA-N 305.352 -0.321 30 20 DBED C#CCNS(=O)(=O)CCCS(=O)(=O)Nc1nncs1 491624564 QTMZXLJEJQQTRT-UHFFFAOYSA-N 324.409 -0.778 30 20 DBED C=CCN1CC[C@@H](N2CCCN(C(=O)CNC(C)=O)CC2)C1=O 528733559 BKYYUTMLCHMROM-CQSZACIVSA-N 322.409 -0.556 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)NCCCCn2ccnc2)CCO1 554518206 FLSRLSFQCRRGAS-GFCCVEGCSA-N 313.383 -0.278 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)c2cc3n(n2)CCO3)CC1 564573639 CVZCWFOUHURTTK-UHFFFAOYSA-N 319.365 -0.665 30 20 DBED COc1cc(C#N)ccc1S(=O)(=O)N1C[C@H](O)[C@@H](CO)C1 575002455 LHPBUEKVFPLUIQ-MNOVXSKESA-N 312.347 -0.459 30 20 DBED CN1CCN(C(=O)C(=O)NCc2cccc(C#N)c2)[C@@H](CN)C1 576966384 POCSXXMVCXJCKK-AWEZNQCLSA-N 315.377 -0.724 30 20 DBED N#Cc1ncn(CCNC(=O)N2CCC[C@@H]2C(=O)NC2CC2)n1 588731267 MAFXDWNGYGNXTD-LLVKDONJSA-N 317.353 -0.398 30 20 DBED CCN(C[C@@H]1CCOC1)C(=O)C(=O)N1CCN(CCC#N)CC1 601431882 SDOWQEGMFVXVIR-AWEZNQCLSA-N 322.409 -0.071 30 20 DBED COCCN(CCC#N)C(=O)Nc1ncn(CC(=O)N(C)C)n1 610559546 XYGQZHQQCOGICG-UHFFFAOYSA-N 323.357 -0.240 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H](OCC)C2)C1=O 623228798 BBWUEYAFNDQAKZ-LLVKDONJSA-N 323.349 -0.009 30 20 DBED C=CCOCCCNC(=O)NCCS(=O)(=O)NC1CC1 663701919 RKEKAGAKAAUSND-UHFFFAOYSA-N 305.400 -0.040 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1ccc(=O)n(CC)n1 732370641 PTUARQDWWMFWOD-VIFPVBQESA-N 322.321 -0.180 30 20 DBED C=CCN(CC(=O)O)C(=O)Cc1ccc(S(N)(=O)=O)cc1 762047233 FWBCLYUSWNOPRK-UHFFFAOYSA-N 312.347 -0.024 30 20 DBED C#C[C@@H](NC(=O)N1CCN(C(=O)COC)CC1)[C@@H]1CCCO1 773553167 BHEXLINDDOQBAA-OLZOCXBDSA-N 309.366 -0.333 30 20 DBED C#CCC[C@H](O)CNC(=O)[C@@H](O)[C@@H](O)c1nc2ccccc2[nH]1 799077893 SYPZNOCLYJYHFW-GDLCADMTSA-N 317.345 -0.152 30 20 DBED C#CCOCCNC(=O)NCC1(OCCO)CCOCC1 800716256 WWVRMLVXWWEOHT-UHFFFAOYSA-N 300.355 -0.507 30 20 DBED CC1=C(C(=O)NCC(=O)NCC#N)[C@H](C)n2ncnc2N1C 804820876 QEUOZCMVZVPQKH-VIFPVBQESA-N 303.326 -0.681 30 20 DBED N#Cc1cc(S(N)(=O)=O)ccc1N1CCO[C@H](C(=O)O)C1 819095702 HQNXPAVVVVGLAD-NSHDSACASA-N 311.319 -0.505 30 20 DBED C#CCOCCNC(=O)[C@@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F 821881301 JMKGWBIFGIBRHG-BDAKNGLRSA-N 313.297 -0.025 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)C2(N(C)C)CC2)CC1 826554762 MUSHSKIOGRRMRD-UHFFFAOYSA-N 306.410 -0.636 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)CC[C@H](C)OC)CC1 831568947 VIFURYMHFZDCMD-LBPRGKRZSA-N 317.411 -0.587 30 20 DBED C#C[C@H](NC(=O)C(F)(F)C(=O)N1CCOCC1)[C@H]1CCCO1 836209311 YAVPJTXLASYZLQ-WDEREUQCSA-N 316.304 -0.223 30 20 DBED C=CCn1cc(C(=O)NS(=O)(=O)C[C@@H]2CCOC2)nn1 842747504 JHXYHGWDZCFIAY-SECBINFHSA-N 300.340 -0.440 30 20 DBED CC[C@@H](CNS(=O)(=O)N(CCC#N)CCOC)C(=O)O 844786635 QHCDKKPQPSJXOY-JTQLQIEISA-N 307.372 -0.206 30 20 DBED C=CCNC(=O)[C@@H](C)OC(=O)Cn1nc2n(c1=O)CCCC2 845232767 ROGVWBRNKWJMAJ-SNVBAGLBSA-N 308.338 -0.385 30 20 DBED C#CC[C@@H](CCOC)NC(=O)N1CC[C@H](S(=O)(=O)NC)C1 859024536 GNBCKQZGAUDUGN-RYUDHWBXSA-N 317.411 -0.252 30 20 DBED C=CCNC(=O)[C@@H](C)OC(=O)CN1CCCCS1(=O)=O 884690529 CTPCMCDFUYUPSA-SNVBAGLBSA-N 304.368 -0.354 30 20 DBED CN1CCN(C(=O)N2CCN(C(=O)C#CC3CC3)CC2)CC1 900618756 ZBGAOXMBBDEDCS-UHFFFAOYSA-N 304.394 -0.089 30 20 DBED C#CCN[C@@H]1CN(C(=O)CN2C(=O)NC(=O)C2(C)C)C[C@H]1C 939479572 KCQAAGSLJUSPCT-GHMZBOCLSA-N 306.366 -0.614 30 20 DBED CC#CCN1CCN(C(=O)c2ccc(S(N)(=O)=O)o2)CC1 949091481 ZZFADRKPRWISIE-UHFFFAOYSA-N 311.363 -0.292 30 20 DBED C[C@@H](C#N)C(=O)N1CC(N(C)C(=O)c2ccc(=O)n(C)c2)C1 954729992 ZLXVGMPHJFHYGW-JTQLQIEISA-N 302.334 -0.172 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@@H](CNC(=O)C2CN(C(C)=O)C2)C1 958014364 FLYQTJYMRNXQND-WCQYABFASA-N 315.801 -0.374 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](CNC(=O)c2cc(=O)n(C)o2)C1 958020476 PPYYMUVWRIQBIJ-ZJUUUORDSA-N 315.757 -0.247 30 20 DBED N#CCN1C[C@H](O)[C@H](CNC(=O)c2cnc3nccnc3c2)C1 958140047 PZWQCTUFWCIJGC-YPMHNXCESA-N 312.333 -0.429 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2cnc3[nH]c(O)nc3c2)C1 958195855 LMLSUCRPUZEJJQ-PWSUYJOCSA-N 315.333 -0.681 30 20 DBED C=CCN1C[C@@H](O)[C@@H](CNC(=O)c2cc3n(n2)CCCO3)C1 958255456 YMMMNWHEIAMIDT-WCQYABFASA-N 306.366 -0.126 30 20 DBED C#CCCN1C[C@H](CNC(=O)c2cn(CCC=C)nn2)[C@@H](O)C1 958467572 JLELKNUTKTZLNT-ZFWWWQNUSA-N 317.393 -0.100 30 20 DBED C#CCCN1C[C@H](CNC(=O)c2ccc(C(N)=O)s2)[C@@H](O)C1 958477249 WXVPYENCQSPPPP-QWRGUYRKSA-N 321.402 -0.107 30 20 DBED C#CCN1C[C@@H]2C(NC(=O)[C@H]3C[C@H](OC)CN3C(C)=O)[C@H]2C1 961355345 HGKUQYWJEYHMAJ-XDQVBPFNSA-N 305.378 -0.698 30 20 DBED Cc1cc(C(=O)N2CCOC3(C2)CN(C(=O)[C@H](C)C#N)C3)n[nH]1 965321495 ANXHQJZCRMNZFJ-SNVBAGLBSA-N 317.349 -0.069 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC2(CN(C(=O)c3cnns3)C2)C1 965467903 CYHKIWDYCYPLGF-VIFPVBQESA-N 321.362 -0.249 30 20 DBED C[C@H](C#N)C(=O)N1CCOC2(CN(C(=O)c3cnccn3)C2)C1 965472501 KZYGLLNDADCINJ-LLVKDONJSA-N 315.333 -0.310 30 20 DBED C=C(C)CN1CCO[C@]2(CCN(C(=O)[C@@H]3COC(=O)N3)C2)C1 972358857 UJOIMVWWZHSACH-SWLSCSKDSA-N 309.366 -0.026 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]1CN(C)C(=O)c1cc(C(N)=O)c[nH]1 978273479 ZHTHOOZAEKAUKL-GXSJLCMTSA-N 317.349 -0.054 30 20 DBED C#CCN1C[C@H]2[C@H](CNC(=O)c3cnc4c(c3)nnn4C)[C@H]2C1 978489510 FGQPQZBVSRAAOD-XYYAHUGASA-N 310.361 -0.096 30 20 DBED C#CCN[C@H]1CCN(C(=O)c2cn(CC(=O)N(C)C)nn2)[C@@H]1C 987573369 APPZUBBCLXUMKW-NEPJUHHUSA-N 318.381 -0.808 30 20 DBED C=C(C)CN[C@H]1C[C@@H](C)N(C(=O)CN2CCN(C)C(=O)C2)C1 989066767 CJJWOMIKLMBKDG-KGLIPLIRSA-N 308.426 -0.085 30 20 DBED CCn1nncc1C(=O)N1CC(NC(=O)c2cc(C#N)c[nH]2)C1 990696502 SXDWJDKIYKXJCZ-UHFFFAOYSA-N 313.321 -0.248 30 20 DBED C=CCN[C@@H]1CN(C(=O)CN2C(=O)C(=O)N(C)C2=O)CC1(C)C 996372918 HUCCHRRLAQTLSW-SNVBAGLBSA-N 322.365 -0.580 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)[C@H]2CCc3nnn(C)c3C2)C1 998494413 UWMWTMQDAIABFB-UWVGGRQHSA-N 316.365 -0.593 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H](NCCN2C(=O)CNC2=O)C1 998750424 DDUQWMAGVMDBCD-MNOVXSKESA-N 307.354 -0.722 30 20 DBED C#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)C(N)=O)nc1 999877742 BAMRYPXWHRFXJT-WXHSDQCUSA-N 312.329 -0.590 30 20 DBED C#CCN1CC[C@H](n2cc(CNC(=O)[C@@H]3COCCO3)nn2)C1 999957663 WRYCXIBNVFZMCL-KBPBESRZSA-N 319.365 -0.810 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)C[C@@H]2CCC(=O)N2)C1 1000009643 RAFXIZMZVVLQHX-UHTWSYAYSA-N 321.377 -0.427 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](NC(=O)CN2CCOCC2)C(C)(C)C1 1008053195 KQBOAHOFYXDJHV-QWHCGFSZSA-N 322.409 -0.169 30 20 DBED COCC(=O)N1CCO[C@@H]([C@H](C)NC(=O)c2cc(C#N)c[nH]2)C1 1009614053 VKBSZCMBFRHDJM-GXFFZTMASA-N 320.349 -0.122 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CCN(CCN3CCNC3=O)C2)[nH]1 1010660162 YQLSCHLFKZAEQY-GFCCVEGCSA-N 316.365 -0.284 30 20 DBED C#Cc1ccc(C(=O)N2CCN(C(=O)c3cnnn3C)CC2)nc1 1011074699 JTONCGYRCPCHOV-UHFFFAOYSA-N 324.344 -0.210 30 20 DBED CC#CCN1CC[C@H](NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 1014431585 YAHCZSQITOXFHG-OLZOCXBDSA-N 315.377 -0.024 30 20 DBED C#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)c1cn(C)c(=O)n(C)c1=O 1018021486 BDRPWBMMYOCXMQ-TXEJJXNPSA-N 316.361 -0.994 30 20 DBED CC(C)c1nnnn1CC(=O)N1[C@H]2CC[C@H]1CN(CC#N)C2 1018038191 OCLBOZVBRFXLBJ-RYUDHWBXSA-N 303.370 -0.005 30 20 DBED C[C@@H](C#N)C(=O)N1CCCO[C@H](CNC(=O)c2cc[nH]n2)C1 1019537297 NXXNAYCDQQBKPX-WDEREUQCSA-N 305.338 -0.083 30 20 DBED Cn1[nH]c(CN[C@H]2C[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)nc1=O 1020088369 KHXKGYKNVWJTHG-MGCOHNPYSA-N 315.337 -0.641 30 20 DBED C#CCN1CCCC[C@H]1CNC(=O)[C@H]1COCCN1C(C)=O 1024806548 JRNJVEUFSXQEJD-LSDHHAIUSA-N 307.394 -0.162 30 20 DBED C=CCN1CC[C@H](N2C[C@H]3[C@H](NC(=O)[C@@H]4CCOC4)[C@H]3C2)C1=O 1025701132 OYBRWEKVYHXVPG-MRLBHPIUSA-N 319.405 -0.144 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc[nH]c2)C[C@H]1O 1025712703 ZUBQEUCHFAXXBM-SYQHCUMBSA-N 319.361 -0.093 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)C3CC(OC)C3)C2)C1=O 1030490874 OLNGEGDGAIZBDQ-UXUKBGGZSA-N 307.394 -0.001 30 20 DBED C#CCN[C@H]1CCN(C(=O)CN2C(=O)CN(C)C2=O)C[C@H]1CC 1037982716 BVCUTTNXTDRUOG-OLZOCXBDSA-N 320.393 -0.270 30 20 DBED C#CCN1[C@H]2CCC[C@H]1CN(C(=O)CN1CC(=O)N(C)C1=O)C2 1039972273 JIPGUEUDMVNKAJ-STQMWFEESA-N 318.377 -0.421 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CN(c3ncc(F)cn3)C[C@H]2O)[nH]1 1040965361 PQTTUADRQKJYSN-VXGBXAGGSA-N 316.296 -0.205 30 20 DBED Cn1cnc(C(=O)N[C@@H]2CN(c3ccc(C#N)nc3)C[C@H]2O)n1 1041014446 LWCGMYKUYZRDQL-VXGBXAGGSA-N 313.321 -0.939 30 20 DBED N#Cc1nccc(N2C[C@@H](O)[C@H](NC(=O)c3ccnnc3)C2)n1 1041357302 CCEHHKOHMTYGNK-GHMZBOCLSA-N 311.305 -0.882 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)C[C@@H]2CCOC2)C1 1042236846 QBDRVWKOIJCNTI-LBPRGKRZSA-N 312.366 -0.695 30 20 DBED COC[C@H](C)C(=O)N1CC(O)(CNC(=O)c2ccc(C#N)[nH]2)C1 1042608664 JCSBOGGRAQKQGM-JTQLQIEISA-N 320.349 -0.528 30 20 DBED CN(C)[C@@H](C(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1)C1CC1 1043461060 AZBHQUVJEHTLHT-OAHLLOKOSA-N 319.405 -0.571 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)C3=COCCO3)C2)cn1 1043837785 VYOXHZBSSMSIIF-OLZOCXBDSA-N 316.317 -0.493 30 20 DBED C=C[C@@H](C)[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2[nH]nnc2C)C1 1044370822 SHUYHNNNSYKCET-NXEZZACHSA-N 321.381 -0.126 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)C[C@@H]2CCC(=O)N2)C1 1044460644 WDTVLZZEAWXZEE-NSHDSACASA-N 323.393 -0.443 30 20 DBED CCc1nc(C(=O)N2CC(O)(CNC(=O)[C@H](C)C#N)C2)co1 1045541389 VSHJUYVXUYJNNH-SECBINFHSA-N 306.322 -0.300 30 20 DBED COc1ccc(C(=O)N2CC(O)(CNC(=O)[C@@H](C)C#N)C2)cn1 1045554826 KEEPECIPKAXNFF-JTQLQIEISA-N 318.333 -0.447 30 20 DBED C=CCN1[C@H]2CC[C@H]1CN(C(=O)[C@@H]1CCS(=O)(=O)N1)CC2 1045892668 NPGJLQQIDDTHSU-AVGNSLFASA-N 313.423 -0.071 30 20 DBED C[C@H]1CCN(CC(=O)NCC2(O)CN(C(=O)C#CC3CC3)C2)C1 1046676324 FIZJKAYDBIFRDW-ZDUSSCGKSA-N 319.405 -0.569 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC(=O)N(C)C2)C1 1047402926 ZFYJPQSNERWQTA-WOPDTQHZSA-N 315.801 -0.279 30 20 DBED C=C1CC(C)(C(=O)N(C)[C@H]2CN([C@H]3CCNC3=O)C[C@@H]2O)C1 1047516808 MDUMCGRHYKONIQ-AVGNSLFASA-N 307.394 -0.265 30 20 DBED C=C[C@@](C)(O)CC(=O)N(C)[C@H]1CN(C(=O)C(C)(F)F)C[C@@H]1O 1048740413 BXIRLXQCJHTJDK-OUJBWJOFSA-N 320.336 -0.001 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCCCN(C)C)C1 1049139610 GYYGKACZWUARHY-RDBSUJKOSA-N 324.425 -0.092 30 20 DBED CCCN(C)CCC(=O)N(C)[C@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1O 1049144687 DGZNWVZIORJCAV-RDBSUJKOSA-N 324.425 -0.092 30 20 DBED CCCCOCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)C#N)C1 1049389268 WASZWKLDQOALGM-AVGNSLFASA-N 311.382 -0.007 30 20 DBED C#CCOCCC(=O)N[C@@H](C)[C@@H]1CCN(C(=O)CC(N)=O)C1 1050351207 WNQQIJOIPZKLEG-NWDGAFQWSA-N 309.366 -0.745 30 20 DBED C[C@@H]1[C@@H](NC(=O)c2nnn(C)n2)CCN1c1cnc(C#N)cn1 1050897321 YERQYCPZFOUUNY-SCZZXKLOSA-N 313.325 -0.731 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)[C@H]1C[C@H]1C(=O)OC)CCO2 1053186419 YXLORQUPLXCBDS-QWHCGFSZSA-N 306.362 -0.268 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)[C@]1(C)CCC(=O)N1)CCO2 1053416327 VGDMLWJZCOLLHN-HNNXBMFYSA-N 305.378 -0.408 30 20 DBED C[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1NCCN1C(=O)CNC1=O 1054647436 BXBZJVBPVZVXIU-AAEUAGOBSA-N 318.377 -0.612 30 20 DBED N#Cc1cncc(N2C[C@@H]3C(NC(=O)C4=COCCO4)[C@H]3C2)n1 1056099396 FIWIIFWZJJYUBG-QWRGUYRKSA-N 313.317 -0.213 30 20 DBED C=C[C@@H](C)[C@H](C)C(=O)NCCN(CCO)C(=O)CC(=O)NC 1057417004 MKQKFXOIIWUTML-NEPJUHHUSA-N 313.398 -0.482 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)[C@@H]1CC[C@H]1C(N)=O 1057525251 MKAXOKXNCNDAEK-CHWSQXEVSA-N 323.393 -0.906 30 20 DBED C#CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)c1ccccn1 1057583672 WQLLXEWIDYBNDU-ZDUSSCGKSA-N 319.361 -0.329 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)c1nc(C)c[nH]1 1057710030 TUWDSDCEFBEJKC-UHFFFAOYSA-N 310.354 -0.529 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)C[C@H]1CCC(=O)N1 1058073112 CHOYMTMNGKJNIM-CYBMUJFWSA-N 323.393 -0.748 30 20 DBED N#Cc1cnc(N2CC[C@@H](NC(=O)[C@H]3CCC(=O)N3)C2)cn1 1058313704 XAKBUZJZUISALV-MWLCHTKSSA-N 300.322 -0.678 30 20 DBED C=C[C@H](C)[C@H](C)C(=O)N(CCO)CCNC(=O)c1nc[nH]n1 1058435655 ONYLKVPTIVHDEY-QWRGUYRKSA-N 309.370 -0.186 30 20 DBED C=CCCCC(=O)N(CCO)CCNC(=O)CC(=O)NCC 1058622065 ZJBRXNJLSYYFJR-UHFFFAOYSA-N 313.398 -0.194 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)c1ccc(C(N)=O)o1 1058652564 AGXMZRCYWRLXQK-SECBINFHSA-N 322.321 -0.911 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)CCc1cnc[nH]1 1058661027 NDWPHVBEKBLSRX-NSHDSACASA-N 307.354 -0.561 30 20 DBED N#Cc1nccnc1N[C@H]1CCN(C(=O)[C@H]2CCC(=O)NC2)C1 1059114177 GTRPMTFJRBUFNS-QWRGUYRKSA-N 314.349 -0.113 30 20 DBED C=C(C)C[C@@H](C)C(=O)N1CCOC[C@H]1CNC(=O)CC(N)=O 1061443145 LKVJSKQNMNSNQT-VXGBXAGGSA-N 311.382 -0.192 30 20 DBED CN(C(=O)Cc1nc[nH]n1)[C@@H]1CCN(c2ccc(C#N)nn2)C1 1062976669 RFMOAHIORIHBEP-LLVKDONJSA-N 312.337 -0.254 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)[C@H]2CN(C)C(=O)N2)CCC1 1063915920 UXQPSFXZYAAKHB-VHSXEESVSA-N 307.354 -0.675 30 20 DBED Cc1cc(C#N)nc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)Cn2cncn2)n1 1064257034 NYMJBRQRLOKZEM-OSMZGAPFSA-N 324.348 -0.358 30 20 DBED C[C@]1(NC(=O)[C@@H]2COC(=O)N2)CCN(c2ccnc(C#N)n2)C1 1065251161 RHRHZNDLRGSXJB-XPTSAGLGSA-N 316.321 -0.458 30 20 DBED C[C@@H]1CN(C(=O)Cc2cnc[nH]2)C[C@@H]1N=c1cc[nH]c(C#N)n1 1067209014 YVJDCIQOUYQMPZ-PWSUYJOCSA-N 311.349 -0.005 30 20 DBED N#Cc1ccc(N2C[C@H](CNC(=O)c3cnn[nH]3)[C@@H](O)C2)nc1 1067697781 NWYLJZPLBHAYAF-JQWIXIFHSA-N 313.321 -0.702 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)[C@@]4(C)CCNC4=O)C[C@@]3(C1)O2 1070853519 GSMOGIQMSYUQIX-UTJXIGIESA-N 317.389 -0.553 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(C(=O)C(C)(F)F)C[C@@H]1C 1071464473 CYKXCXBWCLMTEL-VHSXEESVSA-N 315.320 -0.256 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](NC(=O)C2(NC(N)=O)CC2)[C@H](C)C1 1072035858 QPIQMTRMZYBVJK-VXGBXAGGSA-N 320.393 -0.190 30 20 DBED C=CCCOCC(=O)N1C[C@H](C)[C@H](NC(=O)c2nnn(C)n2)C1 1072338868 IJYFMJOYCMRTNJ-WDEREUQCSA-N 322.369 -0.621 30 20 DBED C#CCCCCC(=O)N[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1C 1072542992 FMIBTGROUZAEJQ-VXGBXAGGSA-N 318.381 -0.020 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@@H]1C 1072632382 LRKFZZLKHYGNBW-NWDGAFQWSA-N 321.377 -0.745 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CCN(C(=O)c2nnn(C)n2)C[C@@H]1C 1073938575 OKZAHRAXVQZIGW-NWDGAFQWSA-N 318.381 -0.164 30 20 DBED C=CCOCC(=O)N1CC[C@H](NC(=O)c2nc[nH]n2)[C@H](C)C1 1074107208 NLFXQSOPGRNLLI-MNOVXSKESA-N 307.354 -0.026 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CCN(C(=O)CCCN(C)C)CC1 1074696471 AKVRVFCEWHUCOF-ZDUSSCGKSA-N 324.425 -0.042 30 20 DBED C=CCCO[C@H](C)C(=O)NCC[C@H](C)NC(=O)Cn1cnnn1 1075846467 OZJBOZGCKRFMPA-NWDGAFQWSA-N 324.385 -0.335 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H](C)CCNC(=O)C(C)(C)C(N)=O 1076966677 LQRMBVPWZQZQGG-QWRGUYRKSA-N 311.382 -0.453 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)Cc2ccnc(OC)c2)C1 1077682003 ZWFISQJMFDWOTH-ZIAGYGMSSA-N 303.362 -0.183 30 20 DBED CCCC(=O)N1CCC[C@@H](C(=O)N[C@@H]2CN(CC#N)C[C@H]2O)C1 1078222953 YLTWDTZTOXEDGJ-MGPQQGTHSA-N 322.409 -0.290 30 20 DBED C=CCOCC(=O)N(CC)C1CN(C(=O)C(=O)NCC2CC2)C1 1079491339 DPYVAACPJDOIMX-UHFFFAOYSA-N 323.393 -0.226 30 20 DBED C=C[C@@H](C)[C@H](C)C(=O)NC1(CO)CCN(C(=O)C(N)=O)CC1 1080951769 FTYXXKPGVKXBCA-MNOVXSKESA-N 311.382 -0.600 30 20 DBED C#Cc1ccc(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C(F)F)C2)nc1 1081151836 DHLONLPXSVZTDZ-CMPLNLGQSA-N 323.299 -0.123 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CC(=O)N(C)C)C1 1081496973 QXAZTZIPQJQBSB-NWDGAFQWSA-N 311.382 -0.634 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@H](CNC(=O)c2ccncn2)C1 1081679441 KORSHLIYWXIKSZ-OCCSQVGLSA-N 316.361 -0.315 30 20 DBED C=CCC1(C(=O)N2C[C@H](O)[C@H](CNC(=O)C(N)=O)C2)CCCC1 1081718895 JSLRTKQTDQHJJX-NEPJUHHUSA-N 323.393 -0.456 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1ccc(NC(C)=O)cn1 1081775838 VROMWCKSOVWQBT-ZIAGYGMSSA-N 317.349 -0.007 30 20 DBED C#Cc1ccc(C(=O)N2CCO[C@@H]3CN(CC(N)=O)C[C@@H]32)cc1 1083160152 LJTYIHDRFBNLFE-LSDHHAIUSA-N 313.357 -0.322 30 20 DBED C=CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)C1CC(=O)NC(=O)C1 1083223390 VCPAVFBCGXQPEP-QWHCGFSZSA-N 321.377 -0.473 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)c2cnn(CCN(C)C)c2)C1 1083851322 ZHTATTIIFCUZIL-KGLIPLIRSA-N 307.398 -0.594 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)c2c[nH]c(C(N)=O)c2)C1 1084061867 VPQXVPTWFQAYCW-MNOVXSKESA-N 312.757 -0.359 30 20 DBED C#CCN[C@@H]1CCCCCN(C(=O)CC[C@@H]2NC(=O)NC2=O)C1 1088421826 AMUWCNWUDHTUJA-OLZOCXBDSA-N 320.393 -0.031 30 20 DBED C[C@@H]1CC[C@H](NC(=O)CNC(N)=O)CN1c1ccc(C#N)nn1 1089110189 OHBYTVFVVGQGST-KOLCDFICSA-N 317.353 -0.510 30 20 DBED CCN(c1cncc(C#N)n1)[C@H](C)CNC(=O)[C@@H]1COC(=O)N1 1089635909 GFPQBWXFAWVPJT-KOLCDFICSA-N 318.337 -0.212 30 20 DBED C#CCN1C[C@@H]2[C@@H]3CC[C@@H](CN3C(=O)c3nnn(C)n3)[C@H]2C1 1089847231 RYGNTKLLYSMBIM-RNJOBUHISA-N 300.366 -0.374 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1091093239 TVXOZPOYQXXYQW-XUJVJEKNSA-N 317.349 -0.659 30 20 DBED CNC(=O)CC(=O)NC1[C@H]2CN(c3cnc(C#N)cn3)C[C@H]12 1093241592 ICWGIYMQWVZSQG-UWVGGRQHSA-N 300.322 -0.965 30 20 DBED N#Cc1c[nH]ccc1=NCCNC(=O)[C@H]1CCCCN1C(N)=O 1093856000 LFBPYCVVBQRAID-CYBMUJFWSA-N 316.365 -0.164 30 20 DBED COCCn1cc(C(=O)NCCN=c2cc[nH]cc2C#N)nn1 1093892986 IZGNAYYOATYECM-UHFFFAOYSA-N 315.337 -0.545 30 20 DBED Cn1nccc1COCC(=O)NCCN=c1cc[nH]cc1C#N 1093944656 AXGSVRKABKTSAO-UHFFFAOYSA-N 314.349 -0.146 30 20 DBED CCc1c(C(=O)NCCN=c2cc[nH]c(C#N)n2)nnn1CC 1094136798 AXTSNKXKEYEERI-UHFFFAOYSA-N 314.353 -0.214 30 20 DBED N#Cc1cnc(NCCNC(=O)CN2CCCCC2=O)cn1 1094256936 UPFGEMVRCPNUNS-UHFFFAOYSA-N 302.338 -0.111 30 20 DBED Cc1ccc(C(=O)N[C@@H]2CC(=O)N(C3CN(CC#N)C3)C2)n1C 1094701650 QTGKATINEBTWGO-GFCCVEGCSA-N 315.377 -0.128 30 20 DBED CNC(=O)CC(=O)N1CC[C@@H](N(C)c2nccnc2C#N)C1 1095113127 MTMCVLHZVUGYLB-SNVBAGLBSA-N 302.338 -0.479 30 20 DBED CN(CCCNC(=O)[C@@H]1CCC(=O)N1)c1ccnc(C#N)n1 1095597420 IBZHVOFVYMXWHO-JTQLQIEISA-N 302.338 -0.431 30 20 DBED CNC(=O)NCC(=O)N[C@H]1CCCN(c2ccncc2C#N)C1 1096239390 GOQDCPOUJQVWPU-LBPRGKRZSA-N 316.365 -0.033 30 20 DBED N#Cc1cnccc1N1CC[C@@H](NC(=O)CCNC(N)=O)C1 1096377741 HOULKHCUXXKZIG-LLVKDONJSA-N 302.338 -0.293 30 20 DBED COCCO[C@@H](C)C(=O)NC[C@H](C)N=c1cc[nH]c(C#N)n1 1098055433 ZYCMGDPVEIPCPX-QWRGUYRKSA-N 307.354 -0.262 30 20 DBED C#CCOCCC(=O)NC[C@H](C)Nc1nccn2nnnc12 1098059115 KSTJQEFXDALKHR-JTQLQIEISA-N 303.326 -0.524 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CCN(C)C1=O)N=c1cc[nH]cc1C#N 1098193321 CEBYQLZKGGOTDB-JQWIXIFHSA-N 301.350 -0.230 30 20 DBED C[C@@H](CNC(=O)[C@]1(C)CCNC1=O)Nc1nccnc1C#N 1098261084 LVWAVOKTAIPQAP-LKFCYVNXSA-N 302.338 -0.209 30 20 DBED C[C@H](CCNC(=O)[C@@H]1CCC(=O)N1)Nc1cncc(C#N)n1 1099362465 XYJAMWMOCLKSKE-KOLCDFICSA-N 302.338 -0.066 30 20 DBED C=CCCC(=O)N[C@H]1CCN(CCNS(C)(=O)=O)C[C@H]1O 1099723082 DGNIIVUIRZSWOH-NWDGAFQWSA-N 319.427 -0.947 30 20 DBED CC(C)(C)/C=C\C(=O)N[C@@H]1CCN(CC(=O)NCC#N)C[C@@H]1O 1099747363 WIEKEHQRUMRIFM-RMKKPPKKSA-N 322.409 -0.220 30 20 DBED C=CCCN1CC[C@@H](NC(=O)CCn2ncn(C)c2=O)[C@@H](O)C1 1099934724 BLIZIQQQNTVRRC-OLZOCXBDSA-N 323.397 -0.901 30 20 DBED CN(CCNC(=O)[C@@H]1CCNC(=O)C1)c1ccnc(C#N)n1 1100007116 UHOWCGUVLHJSFR-SNVBAGLBSA-N 302.338 -0.573 30 20 DBED N#Cc1cccnc1N1CC[C@H](CNC(=O)CNC(N)=O)C1 1100927277 CMFLDZVLVPMSLI-SNVBAGLBSA-N 302.338 -0.436 30 20 DBED C[C@H](CC(=O)N(C)CCNc1ccc(C#N)nn1)NC(N)=O 1101786086 PDUDULNJVOVYNJ-SECBINFHSA-N 305.342 -0.335 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1101916800 OUHVABGNQZDVTP-IOASZLSFSA-N 322.409 -0.363 30 20 DBED C[C@@H]1CN([C@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)C#CC1CC1 1101951214 GHGIGDQAGYQPMT-BNOWGMLFSA-N 317.389 -0.111 30 20 DBED C=CCOCC(=O)N1C[C@@H]2C[C@H]1CN2c1nccn2nnnc12 1102544630 WNYRXBMVZRDMSV-QWRGUYRKSA-N 315.337 -0.489 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H]2C[C@H]1CN2c1cc(F)ncn1 1102547848 ROYLHUZNCHXPNT-QWRGUYRKSA-N 317.324 -0.455 30 20 DBED CN(C(=O)C(C)(C)C(N)=O)[C@H]1CCN(c2cnc(C#N)cn2)C1 1102740424 OHAUJOOLLBXZJB-NSHDSACASA-N 316.365 -0.103 30 20 DBED CC[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)Nc1ccc(C#N)nc1 1103277402 HUYCMCWEZDHRDC-CABZTGNLSA-N 302.338 -0.059 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)CNC(=O)C1CC1 1103854061 WYVBHUBTAYBYAT-SNVBAGLBSA-N 316.365 -0.539 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H](C)CNc1cnc(C#N)cn1 1103955826 BFJWQFRXQSVHIE-NSHDSACASA-N 314.349 -0.348 30 20 DBED CC(=O)N[C@H](C)C(=O)NC[C@H](N=c1cc[nH]c(C#N)n1)C(C)C 1105112004 AOEVFPQORFMPDW-PWSUYJOCSA-N 318.381 -0.153 30 20 DBED COC(=O)[C@@H]1C[C@H]1C(=O)N1CC(n2cc(CNCC#N)nn2)C1 1105187634 BGUCQRTYCPSCSL-VXGBXAGGSA-N 318.337 -0.916 30 20 DBED N#CCNCc1cn(C2CN(C(=O)Cc3cc[nH]n3)C2)nn1 1105199962 QIQJOJOAAVQBFQ-UHFFFAOYSA-N 300.326 -0.760 30 20 DBED CCn1nncc1C(=O)N1CC(n2cc(CNCC#N)nn2)C1 1105230432 GQBGMGRCFDDNAO-UHFFFAOYSA-N 315.341 -0.800 30 20 DBED CCC(=O)NCC(=O)N(C)CCN(C)c1ccc(C#N)nn1 1105370471 ACSYASLURPHHHQ-UHFFFAOYSA-N 304.354 -0.231 30 20 DBED N#Cc1nc(=NC[C@@H](O)CNC(=O)C2(CCF)CC2)cc[nH]1 1106030043 KASSKPZPGOUKQM-SNVBAGLBSA-N 307.329 -0.201 30 20 DBED CN1CCCC[C@H]1C(=O)NC[C@@H](O)CNc1nccnc1C#N 1106057429 BORLPOMDGOAGKH-AAEUAGOBSA-N 318.381 -0.278 30 20 DBED C=CCNC(=O)CNC[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1C 1106083423 SBBIKUOZIFOUMH-VXGBXAGGSA-N 320.397 -0.585 30 20 DBED C=C1CC(C)(C(=O)NC[C@@H](O)CNc2ccc3nnnn3n2)C1 1106094106 FESJWKJFGGUAHG-JTQLQIEISA-N 317.353 -0.235 30 20 DBED C#CCNC[C@@H]1CN(C(=O)CCc2nnc(O)nc2O)C[C@H]1C 1106365762 FTJWSAFSBDQOKV-GHMZBOCLSA-N 319.365 -0.467 30 20 DBED C[C@@H](CCNc1cnc(C#N)cn1)NC(=O)Cn1nccn1 1106460285 KKAYROOUWANIBA-JTQLQIEISA-N 300.326 -0.053 30 20 DBED C[C@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)[C@@H]1CCC(=O)N1C 1106534689 GUHYWIJQSQAEHJ-MNOVXSKESA-N 316.365 -0.302 30 20 DBED C=C(C)CN1CC(n2cc(CNC(=O)CCCC(N)=O)nn2)C1 1107241694 CLGMMMXFUFUOBW-UHFFFAOYSA-N 320.397 -0.017 30 20 DBED N#Cc1cnc(NC/C=C/CNC(=O)[C@@H]2CCCNC2=O)cn1 1107389556 NAFBGOQTYOWHDN-ISUDXETCSA-N 314.349 -0.041 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)CNc1cc(C)nc(OC)n1 1107695499 HVYWFINIRCNCNX-LLVKDONJSA-N 319.365 -0.150 30 20 DBED C#CCNC(=O)CN1CCO[C@@](C)(CNC(=O)C2CC=CC2)C1 1107833606 LDLZKVWZVGJEIG-KRWDZBQOSA-N 319.405 -0.091 30 20 DBED CNC(=O)[C@H](C)N1CCO[C@](C)(CNC(=O)C#CC(C)C)C1 1107926250 DBYVULSVSZYGOA-XJKSGUPXSA-N 309.410 -0.013 30 20 DBED CC#CCN1CCO[C@@](C)(CNC(=O)c2cc(=O)n(C)cn2)C1 1108005236 NQZRGZCSCQWXKV-INIZCTEOSA-N 318.377 -0.376 30 20 DBED COCC(=O)N[C@H](C)C(=O)N[C@H](C)CNc1cnc(C#N)cn1 1108173897 DVOSKGDZAAASEG-NXEZZACHSA-N 320.353 -0.584 30 20 DBED C[C@@H](CNc1ccc(C#N)nn1)NC(=O)[C@H]1CCNC(=O)C1 1108335076 HAXRZHCYEHBDGS-UWVGGRQHSA-N 302.338 -0.209 30 20 DBED C=CCCOCC(=O)NC[C@]1(C)CN([C@@H](C)C(N)=O)CCO1 1108429401 HFAOCHORTLLCNS-SWLSCSKDSA-N 313.398 -0.340 30 20 DBED N#CCN1CC(N2C[C@@H](NC(=O)CC(F)(F)F)CC2=O)C1 1108516997 AGACIAXXXZTXCD-QMMMGPOBSA-N 304.272 -0.136 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)C[C@](C)(O)C=C)CC2=O)C1 1108538906 QFPWKVCBRNUAQH-MLGOLLRUSA-N 307.394 -0.099 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)CCc3ccon3)CC2=O)C1 1108555760 YFJALJVPIVLTPE-CYBMUJFWSA-N 316.361 -0.358 30 20 DBED CN(CCCN=c1cc[nH]c(C#N)n1)C(=O)C[C@@H]1CCNC1=O 1109540247 NGTQJGSZTPXWAH-NSHDSACASA-N 316.365 -0.443 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@]1(C)CNC(=O)C1 1109545619 FLLZTHPZJJBAFV-XJIUQZFPSA-N 319.405 -0.116 30 20 DBED N#Cc1nccnc1N1C[C@H]2C[C@H]1[C@@H]2NC(=O)CCCC(N)=O 1109712141 SFYIOKMFCHJEAL-OLUVUFQESA-N 314.349 -0.303 30 20 DBED N#Cc1nc(=NC[C@@H](NC(=O)[C@H]2COC(=O)N2)C2CC2)cc[nH]1 1109832849 OVKWKBBCVOVCBB-NXEZZACHSA-N 316.321 -0.815 30 20 DBED N#Cc1cnc(NC2(CNC(=O)[C@H]3CC[C@H]3C(N)=O)CC2)cn1 1110300011 MJLXTKJAFKWLMI-MNOVXSKESA-N 314.349 -0.080 30 20 DBED C#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NC(=O)NC 1110493550 VSSIYZKRJQKRFL-UPJWGTAASA-N 320.393 -0.033 30 20 DBED C#CCNC(=O)CC(=O)N1CCN(C[C@@H]2C[C@H]3CC[C@H]2O3)CC1 1112777960 UOROBPQMMHXURJ-RRFJBIMHSA-N 319.405 -0.162 30 20 DBED N#Cc1nccnc1NCC1CC(NC(=O)CNC(N)=O)C1 1112815702 ASVZEHRSWDCYIE-UHFFFAOYSA-N 303.326 -0.677 30 20 DBED Cc1cc(C#N)nc(N(C)[C@@H](C)CNC(=O)c2nnn(C)n2)n1 1113814362 BMCPFZGLIGVJMY-VIFPVBQESA-N 315.341 -0.565 30 20 DBED C[C@H](CNC(=O)[C@@H]1CCN(C)C1=O)N(C)c1cnc(C#N)cn1 1113826807 MPWLMDAQRJKTFZ-PWSUYJOCSA-N 316.365 -0.233 30 20 DBED Cc1cc(C(=O)N[C@H]2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]32)on1 1113853240 YPGMQAMUATVICY-IWIIMEHWSA-N 303.322 -0.717 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)CSCC#N)[C@H]2C1 1113899902 WNMBGCNSCBMOHT-CIQGVGRVSA-N 322.434 -0.020 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3cscn3)[C@H]2C1 1114012018 ASRJFPZMKSTWCX-IWIIMEHWSA-N 304.375 -0.448 30 20 DBED N#CCNC(=O)CN1C[C@H]2C(NC(=O)c3ccncc3F)[C@@H]2C1 1114088642 RQDTWCKQEKZJEP-GHMZBOCLSA-N 317.324 -0.480 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)c3cnnn3CC)[C@@H]2C1 1114225873 CDTYZGFJGMJHTN-GHMZBOCLSA-N 318.381 -0.740 30 20 DBED C=CCCN1C[C@H]2C(NC(=O)CCc3nnc(O)nc3O)[C@@H]2C1 1114512559 BWOURSUYXFSUHM-NXEZZACHSA-N 319.365 -0.162 30 20 DBED C[C@@H](CN(C)C(=O)Cn1cnnc1O)Nc1cnc(C#N)cn1 1115687303 NBDUFCOXSWBKRB-VIFPVBQESA-N 316.325 -0.396 30 20 DBED C[C@H]1CN(C(=O)C(=O)NCC#Cc2ccccc2)C[C@@H](CO)O1 1116987016 ALOZLVXLBYTYLB-ZFWWWQNUSA-N 316.357 -0.238 30 20 DBED COC1(CNC(=O)C(=O)N2CC[C@](F)(C#N)C2)CCOCC1 1117439252 ZBFJCGVADLGRNA-ZDUSSCGKSA-N 313.329 -0.238 30 20 DBED C[C@H](CN(C)C(=O)CO[C@@H]1CCOC1)N=c1cc[nH]c(C#N)n1 1120111754 YGYQRMOLOXLJOT-VXGBXAGGSA-N 319.365 -0.166 30 20 DBED C=CCN(CCOC)c1nnnn1C[C@@H]1CCS(=O)(=O)C1 1120126926 RZXZWQUMTFNKDH-NSHDSACASA-N 315.399 -0.253 30 20 DBED C[C@H](CN(C)C(=O)c1nnn(C)n1)Nc1cncc(C#N)n1 1120501890 HWFJRCNSICAIKM-MRVPVSSYSA-N 301.314 -0.556 30 20 DBED CCn1nccc1C(=O)NC[C@@H](CO)Nc1cncc(C#N)n1 1121378530 XCHZUQJHROVYRU-NSHDSACASA-N 315.337 -0.233 30 20 DBED C=CCCOCC(=O)NC[C@@H](CO)Nc1nccn2nnnc12 1121750013 VINCMJBOUVTXAU-JTQLQIEISA-N 321.341 -0.999 30 20 DBED C#CCNCC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 1121827185 UEFASBJAFYZPHO-UHFFFAOYSA-N 315.373 -0.002 30 20 DBED CCc1nc[nH]c1C(=O)NC[C@H](CO)Nc1nccnc1C#N 1121874290 CYIOQCLARMJIBT-SECBINFHSA-N 315.337 -0.163 30 20 DBED Cc1nocc1C(=O)NC[C@H](CO)Nc1cnc(C#N)cn1 1122437545 KLRYBAJBUUIYLM-SNVBAGLBSA-N 302.294 -0.153 30 20 DBED Cc1nonc1C(=O)N(C)C[C@H](O)CN=c1cc[nH]cc1C#N 1124399330 OLFBMTPLDISKIJ-LLVKDONJSA-N 316.321 -0.388 30 20 DBED CN(C)CCC(=O)N[C@H]1CCc2nnc(CNCC#N)n2CC1 1128032637 JFOBXOJQSCRTIS-LBPRGKRZSA-N 319.413 -0.336 30 20 DBED C=CCCN[C@@H]1CN(C(=O)[C@H]2COCCO2)C[C@@H]1n1ccnn1 1129594187 IIWHICSYSDIOBE-HZSPNIEDSA-N 321.381 -0.389 30 20 DBED C#CCCCC(=O)N1C[C@H](n2ccnn2)[C@H](NCCCO)C1 1129833843 HDFKREOKAUXXTG-KGLIPLIRSA-N 305.382 -0.195 30 20 DBED COCC#CCNCCNC(=O)C(C)(C)CN1CCOCC1 1130229824 AOGKQYAOWDQWQD-UHFFFAOYSA-N 311.426 -0.300 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@H](c2n[nH]cc2CNC(C)=O)C1 1130331874 HRJHBQLSCFALNT-AAEUAGOBSA-N 317.393 -0.027 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)C[C@H](C)COC)CC1 1131390468 HTFKAEPONPAQHV-AWEZNQCLSA-N 309.410 -0.057 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)Cc1cn(CC)nn1 1131630869 VAORQTDKYLTYKV-NSHDSACASA-N 308.386 -0.763 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2ccn(C)n2)CC[C@H]1C 1132482685 YFRDOZTVGUZUFB-OLZOCXBDSA-N 317.393 -0.248 30 20 DBED C[C@H]1CCN(C(=O)c2nc[nH]n2)C[C@@H]1CNCC(=O)NCC#N 1133181815 ITOIJHUYRYPIDU-QWRGUYRKSA-N 319.369 -0.868 30 20 DBED C[C@H](C[C@@H](C)NC(=O)[C@@H]1[C@H]2COC[C@H]21)NCC(=O)NCC#N 1135231325 ZFYHVJCNCJTOKK-SSKLVLDBSA-N 308.382 -0.609 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1cnn2ccccc12 1135450307 PUDSYOKKXPFMEA-UHFFFAOYSA-N 300.322 -0.707 30 20 DBED C#CCNC(=O)CNCCNC(=O)C(=O)N1[C@@H](C)CCC[C@H]1C 1135913915 OBICVXCFKCODND-BETUJISGSA-N 322.409 -0.769 30 20 DBED N#CCNC(=O)CN1CCC2(C1)CN(C(=O)C[C@H]1CCCO1)C2 1147039503 AMWZHXGMDKDBDP-CYBMUJFWSA-N 320.393 -0.270 30 20 DBED C#CCNC(=O)CN1CCCO[C@@H](CNC(=O)C(C)(F)F)C1 1149002343 IIVQFSQTPSDBBO-NSHDSACASA-N 317.336 -0.402 30 20 DBED N#Cc1ccc(CNCCNC(=O)[C@@H]2CCS(=O)(=O)N2)cc1 1151301694 VWFASOAFWOBTCU-ZDUSSCGKSA-N 322.390 -0.544 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)CS(=O)(=O)C(C)C 1151404630 BZPALYUAZRVWMC-NSHDSACASA-N 319.427 -0.794 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)CCc1cnn(C)c1 1152216157 RYMSKPUVVHYBOQ-LBPRGKRZSA-N 305.382 -0.804 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)NCCNC[C@@H](C)OC 1152398501 ATFIADICKAJWDW-LLVKDONJSA-N 300.403 -0.009 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)c1cncnc1O 1153957621 XREVQRLCLNLMPK-LLVKDONJSA-N 319.365 -0.628 30 20 DBED C=CCNC(=O)NC(=O)CNCCCNC(=O)c1n[nH]cc1C 1157669974 NLHVKURAGXAQIB-UHFFFAOYSA-N 322.369 -0.561 30 20 DBED CCOCC(=O)NCCC1=CCN(CC(=O)NCC#N)CC1 1159143744 CSEORNYNFXSUFF-UHFFFAOYSA-N 308.382 -0.199 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC=C(CCNC(=O)CC(N)=O)CC1 1159646854 UPTRGDXOBKEQAD-GFCCVEGCSA-N 322.409 -0.309 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1cnn2ncccc12 1160048482 YDFNIVNUIWBSCN-UHFFFAOYSA-N 314.349 -0.812 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)c1[nH]c(O)nc1C 1160521936 QZTOLHSYRNSTAC-JTQLQIEISA-N 307.354 -0.729 30 20 DBED COCC#CCNCC1(CCNC(=O)C[C@H](C)NC(N)=O)CC1 1164523938 JZYADBIYULSJLT-ZDUSSCGKSA-N 324.425 -0.041 30 20 DBED C#CCNCC1(CCNC(=O)[C@@H](C)NS(C)(=O)=O)CC1 1167328808 VIEIFEWHJJDAGC-LLVKDONJSA-N 301.412 -0.567 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1cn(CCC)nn1 1169509627 IJTGFSFTKANBTM-UHFFFAOYSA-N 306.370 -0.853 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@@H]1CCCN1C(C)=O 1171628146 HIMUSXHPPAQZRS-ZDUSSCGKSA-N 310.398 -0.605 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@H](CC(C)C)NC(C)=O 1171646874 NTNLGFJGCLVKTJ-AWEZNQCLSA-N 324.425 -0.618 30 20 DBED C#CCCNCCCC[C@H](C)NC(=O)Cn1c(O)nnc1O 1176358486 DTWHQOAVOPPGQO-NSHDSACASA-N 309.370 -0.023 30 20 DBED N#CCN1CCO[C@H]2CCN(C(=O)C(=O)NCC3CC3)C[C@@H]21 1177125078 NAHQNJRUOMFPOV-STQMWFEESA-N 306.366 -0.662 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC[C@H](NCCN2CCNC2=O)[C@@H]1C 1178572221 BAFKWASAKDLCFE-XEZPLFJOSA-N 324.425 -0.082 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@H](NCc2cnnn2C)[C@@H]1C 1178678367 HVSVRPNQONLUDA-SCRDCRAPSA-N 305.382 -0.068 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)Cc2cnc[nH]2)[C@H]1C 1179617720 MTYNUAZKLXHSFH-DYEKYZERSA-N 317.393 -0.331 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)Cc2ncc[nH]2)[C@H]1C 1179783377 LXECAEAONSUBKV-RYUDHWBXSA-N 303.366 -0.719 30 20 DBED Cc1nnccc1C(=O)N1CC[C@@H](NCC(=O)NCC#N)C1 1183978262 RSUQMMUAKULGRN-LLVKDONJSA-N 302.338 -0.771 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2ncccc2F)C1 1186555474 QEDCTRPXMIUJJM-LLVKDONJSA-N 304.325 -0.226 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)C[C@@H]2COC(=O)C2)C1 1189654183 YWYMDRWEFOGBBW-STQMWFEESA-N 323.393 -0.226 30 20 DBED COCC#CCN(C)[C@@H]1CCN(C(=O)c2cnn(C)c2N)C1 1189751724 IQSWCQGZBPAUPJ-GFCCVEGCSA-N 305.382 -0.202 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@H]1CCN(C(=O)CCOCC#C)C1 1190111980 BQDPICMAQBFLNL-GJZGRUSLSA-N 319.405 -0.303 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@H](N(C)CC(=O)NCC)C1 1190721386 BOEVADAAJQYEBP-GJZGRUSLSA-N 320.437 -0.247 30 20 DBED COCc1noc(CN2C[C@@H](O)[C@H](NC(=O)[C@@H](C)C#N)C2)n1 1191855143 XFMROAOFWKQHQJ-IVZWLZJFSA-N 309.326 -0.963 30 20 DBED COCC#CCN(C)[C@@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1 1191997294 HMXRVVROUVTBEZ-GFCCVEGCSA-N 304.350 -0.434 30 20 DBED C#CCCCCC(=O)N[C@@H]1CN([C@H]2CCCNC2=O)C[C@H]1O 1192320999 PNNQOBPECASFJF-HZSPNIEDSA-N 307.394 -0.380 30 20 DBED C#CCCCCCC(=O)N[C@@H]1CN([C@@H]2CCN(C)C2=O)C[C@H]1O 1195307107 OARPZFSAHKTRDG-RBSFLKMASA-N 321.421 -0.038 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)[C@H](CC(C)C)OC)C1 1196036195 ACPDHERMWYWZOX-KFWWJZLASA-N 312.410 -0.141 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2nccs2)C1 1197132137 YMTNGHYWSZMNRS-NXEZZACHSA-N 310.379 -0.780 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)CCn2cnccc2=O)C1 1197333548 ASSQKKPJDJXKHC-ZIAGYGMSSA-N 320.393 -0.239 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)Cn2cncn2)CC1 1198046776 POHJJJCTAODCLI-UHFFFAOYSA-N 306.370 -0.885 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)[C@H](C)NC(=O)CC)CC1 1200720556 HCMJSCOOCSIKCL-LBPRGKRZSA-N 322.409 -0.769 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)c2ccnnc2)CC1 1202644040 QYTYUSBZAUBVEA-UHFFFAOYSA-N 301.350 -0.580 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)c2nonc2C)CC1 1204092123 CGUSWUYTULEKBI-UHFFFAOYSA-N 305.338 -0.678 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[nH]2)C[C@H]1C 1206607642 UIVZGFASAKQQLL-GHMZBOCLSA-N 309.370 -0.753 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)c2cc(C)nn2C)C1 1207546522 USNABQHLFZNZLH-ZDUSSCGKSA-N 317.393 -0.328 30 20 DBED CC#CCN1C[C@@H](NC(=O)[C@H](C)NS(C)(=O)=O)[C@H](C)C1 1208924595 OAADVQXZHPMTIE-GRYCIOLGSA-N 301.412 -0.616 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)CN(CC)CC)[C@H](C)C1 1209642111 BFCINZJAXDEBBV-QLFBSQMISA-N 322.453 -0.097 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)c2cc[n+]([O-])cc2)C[C@H]1C 1214084749 ACQROUMWMXMJRW-TZMCWYRMSA-N 316.361 -0.881 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2cnsn2)C[C@H]1C 1214221149 NCAOGJCKOOIFNE-CKYFFXLPSA-N 321.406 -0.274 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H](C)OCCOC 1218716076 SMTNQAYIOZNKQT-QLFBSQMISA-N 310.394 -0.027 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(CC(=O)NCCCC)C[C@@H]1O 1219361855 IPZQKRWYWFZCKH-OLZOCXBDSA-N 313.398 -0.733 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@H](C)C2CCC2)C1 1219863154 ZATJZTLYSNQNHE-BNOWGMLFSA-N 309.410 -0.114 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)COc2cccnc2)C1 1220550193 MLBDHQAXDGYQOH-CABCVRRESA-N 319.361 -0.729 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@H]2CC[C@H](C)CC2)C1 1220809331 SUSRMIYRLQYFMM-TUVASFSCSA-N 321.421 -0.277 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)CNC(=O)C2CCCCC2)C1 1220895970 VSYWBMCJTILGHS-OLZOCXBDSA-N 308.382 -0.632 30 20 DBED Cc1cc(C(=O)N2C[C@H]3CCN(CC(=O)NCC#N)C[C@H]32)n[nH]1 1221323914 AXXVMCZFVGWKDK-DGCLKSJQSA-N 316.365 -0.496 30 20 DBED COCC#CCN1CCC(CNC(=O)[C@H]2CN(C)CCO2)CC1 1222682556 XRGFIRLWBIYEJE-MRXNPFEDSA-N 323.437 -0.205 30 20 DBED CC#CCN1CCC(NC(=O)[C@@H](C)NS(=O)(=O)CC)CC1 1227480028 BNQPEANGDYHABJ-GFCCVEGCSA-N 315.439 -0.082 30 20 DBED C#CCN1CCS(=O)(=O)[C@H](CCNC(=O)[C@@H](F)CC)C1 1230480916 IYYZOFKQNAYAAH-NEPJUHHUSA-N 304.387 -0.027 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)c1cc[n+]([O-])cc1 1230655445 ZYUKKGPGLZZUQW-AWEZNQCLSA-N 316.361 -0.784 30 20 DBED C#CCNC(=O)CC(=O)N(C)C[C@H]1CCN1Cc1cncn1C 1233810038 ODCFYWVKAUVIEL-CYBMUJFWSA-N 317.393 -0.408 30 20 DBED COCC#CCN1CC[C@H]1CN(C)C(=O)c1cc(=O)n(C)o1 1233866694 TZJCJDFCKOGYGE-LBPRGKRZSA-N 307.350 -0.226 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C[C@H]1CCN1Cc1nncn1C 1234216039 RSULKOFFBXRBMW-QWHCGFSZSA-N 305.382 -0.114 30 20 DBED C=CCNC(=O)CN1CC[C@H]1CN(C)C(=O)[C@H](C)NC(=O)CC 1234490809 SKOPPJMZHFHAPW-STQMWFEESA-N 324.425 -0.264 30 20 DBED C[C@@]1(CO)CCCN(C(=O)C(=O)Nc2cnn(CC#N)c2)C1 1319433254 HYHIROYHRUKZAI-CQSZACIVSA-N 305.338 -0.034 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CCC[C@H](N2CCCC2=O)C1 1324239686 XKGCRPKHPYEMAX-OLZOCXBDSA-N 323.393 -0.083 30 20 DBED C#CCCCCNC(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 1326741874 MOYVPJADZOUPFO-KBPBESRZSA-N 307.394 -0.115 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCN(C(=O)CC(C)C)CC1 1329098231 CWOWTAYNQXPRRG-UHFFFAOYSA-N 323.393 -0.531 30 20 DBED O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)N[C@@H]1C=CCC1 1330468808 TXAXTIDWOQWRIF-LRZCVGBLSA-N 318.333 -0.536 30 20 DBED N#CCC1(O)CN(c2ncnc(N3CCOCC3)c2[N+](=O)[O-])C1 1334651144 VDTSNUPWZMOCTP-UHFFFAOYSA-N 320.309 -0.314 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[C@@H]1CNCCS1(=O)=O 1341010479 KWUODJZCFKVIKG-AGIUHOORSA-N 316.423 -0.140 30 20 DBED C#CCN(C)c1nnc([C@H]2SCCNC2=O)n1CCOC 1341187309 JEYDWUPGTCDEIN-SNVBAGLBSA-N 309.395 -0.102 30 20 DBED C#CCN(C(=O)C(=O)N1CCC([C@@H](O)C(=O)OC)CC1)C(C)C 1353073501 HFFAOPUAYQNWPT-CYBMUJFWSA-N 324.377 -0.371 30 20 DBED C=CCn1c([C@H]2CCOC2)nnc1N1CCO[C@H](C(N)=O)C1 1355929693 OEQJQYYRWYTYPU-QWRGUYRKSA-N 307.354 -0.342 30 20 DBED Cn1c(=O)[nH]c(N2CCC[C@H](CCC(N)=O)C2)c(C#N)c1=O 1364538838 ORJMJIBKHQEMGJ-SECBINFHSA-N 305.338 -0.573 30 20 DBED N#Cc1ccc(CNC(=O)CN2CC[C@@H](O)[C@@H](CO)C2)cc1 1364730991 QYRPVBDRSQRZKO-HUUCEWRRSA-N 303.362 -0.150 30 20 DBED CNC(=O)N[C@@H]1CCCN(C(=O)[C@@H](C)n2cnc(C#N)n2)C1 1364787373 BKZQSBSMBALHPX-NXEZZACHSA-N 305.342 -0.369 30 20 DBED C[C@H](Cc1cnn(C)c1)NS(=O)(=O)N1CCO[C@H](C#N)C1 1365402679 NAWQNUTVIVIJBP-ZYHUDNBSSA-N 313.383 -0.590 30 20 DBED C[C@H](C#N)C(=O)NCCC1CCN([C@H](C)C(=O)NC(N)=O)CC1 1373936732 XXQROQSUYPWDLL-GHMZBOCLSA-N 323.397 -0.052 30 20 DBED CNC(=O)NCCC(=O)N1CCC[C@H]1CN(C)C(=O)[C@H](C)C#N 1380226973 GVXXPTFTIPUMQW-NEPJUHHUSA-N 323.397 -0.085 30 20 DBED C[C@@H](C#N)C(=O)N1CC([C@H](C)NC(=O)CCN2CCOCC2)C1 1383296643 OBXXHMRRCNRCPL-STQMWFEESA-N 322.409 -0.169 30 20 DBED CC(=O)N(C)CC(=O)N(C)[C@@H](CNC(=O)[C@@H](C)C#N)C1CC1 1383586233 FXFPGEGWBSYZRO-GWCFXTLKSA-N 308.382 -0.022 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](C)CNC(=O)CNC(=O)N1CCCC1 1389267258 RBFSGCVWTLBLDN-WDEREUQCSA-N 309.370 -0.428 30 20 DBED CN(CCC#N)S(=O)(=O)N1CCCC[C@H]1CS(C)(=O)=O 1414268408 OCYFDSUFNJTTQV-NSHDSACASA-N 323.440 -0.024 30 20 DBED CN(CCC#N)S(=O)(=O)NC[C@@H](CO)Cc1cccnc1 1414295081 VLNANRSHRWJRQY-ZDUSSCGKSA-N 312.395 -0.088 30 20 DBED COC(=O)NCC(=O)NC[C@H](C)CNC(=O)c1ccc(C#N)[nH]1 1416435373 OUKLFNMYGJHSLZ-VIFPVBQESA-N 321.337 -0.276 30 20 DBED CC(C)[C@@H](CNC(=O)c1cc(=O)n(C)cn1)NC(=O)[C@H](C)C#N 1431270379 QOLMFRLXWZSLLC-ZYHUDNBSSA-N 319.365 -0.189 30 20 DBED Cn1c(=O)[nH]c(N2CCC(O)(C(F)(F)F)CC2)c(C#N)c1=O 1434442855 OUKXIYXBSLEJGG-UHFFFAOYSA-N 318.255 -0.161 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1C[C@@H](NCC(=O)N2CCOCC2)C1 1436338626 HYADNAFQRHASME-RWMBFGLXSA-N 308.382 -0.511 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)[C@@H]2CCC(=O)N2)CCCC1 1451206256 MINGMSOIMFCDJR-QWRGUYRKSA-N 306.366 -0.030 30 20 DBED C#CCCNC[C@H]1CCCCN1C(=O)CS(=O)(=O)N(C)C 1480365404 FJNNBCDBCQUJHJ-CYBMUJFWSA-N 315.439 -0.128 30 20 DBED CNC(=O)NCC(=O)NC[C@@H](C)NC(=O)c1ccc(C#N)[nH]1 1494760976 CCLHPAXXTXOMFS-MRVPVSSYSA-N 306.326 -0.950 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@@H](C)CNC(=O)c1cc(C(N)=O)c[nH]1 1509040725 VZRZIXOOAOEPCP-IUCAKERBSA-N 305.338 -0.150 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H](C)CCNC(=O)CN(C)C(C)=O 1570454106 STEVJIDVDFSGDS-RYUDHWBXSA-N 310.398 -0.913 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)NC[C@H]1CCO[C@H]1C(=O)O 1571087882 NSNOXRRAJKDKJN-IVZWLZJFSA-N 305.356 -0.456 30 20 DBED CC(=O)N1CCN(c2cnc(-c3nn[nH]n3)c(C#N)n2)[C@H](C)C1 1573451433 WDXJDSXRSXCPFY-MRVPVSSYSA-N 313.325 -0.415 30 20 DBED C#CC[C@H](CO)NC(=O)Nc1cnc(OC)c(-c2nn[nH]n2)c1 1588330737 DFSUFLVQXDGRAE-MRVPVSSYSA-N 317.309 -0.224 30 20 DBED C#CCN(CC(=O)O)c1nnc(-c2ncccn2)n1CCOC 1588426153 AHFMUWVAMSYLNV-UHFFFAOYSA-N 316.321 -0.094 30 20 DBED C#CCOCCC(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2C(=O)O)C1 1588489508 BIZRUCANDWZJQR-WRWGMCAJSA-N 308.334 -0.490 30 20 DBED C[C@H](C(=O)NC1(C#N)CCCC1)n1cnc(-c2nn[nH]n2)n1 1588970267 FVUNKQAZZXZJNR-MRVPVSSYSA-N 301.314 -0.028 30 20 DBED Cc1cnc(Cn2c(=O)c(C#N)cn(CC(=O)O)c2=O)s1 1594431007 YMRKUUNYGQHHLE-UHFFFAOYSA-N 306.303 -0.221 30 20 DBED CCOC(=O)CON=C(C(=O)N1CC[C@@H]1C(=O)O)c1cc[nH]n1 1596628192 BFBKFOUKJGTLII-SECBINFHSA-N 324.293 -0.621 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)NC[C@@H](CC(=O)O)C2CC2)CCO1 1601062833 KIPVWOOENKQORK-GHMZBOCLSA-N 317.367 -0.454 30 20 DBED N#C[C@]12CN(C(=O)CCCC(=O)O)C[C@H]1CS(=O)(=O)C2 1601079948 QNPZYMHPHQSEMX-JOYOIKCWSA-N 300.336 -0.362 30 20 DBED N#Cc1cnn2cc(CN3C[C@@H](O)C[C@@H](C(=O)O)C3)cnc12 1601131413 ZVHJRLAULSEQJM-PWSUYJOCSA-N 301.306 -0.132 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@H](NCC(=O)N(C)C)C2)nc1 1714333444 CVSHABAVDLVVJI-ZDUSSCGKSA-N 300.362 -0.045 30 20 DBED C#CCNC(=O)CN(C)CCCNC(=O)Cc1ncccc1F 1752046891 TYTWMPXOUSUPCM-UHFFFAOYSA-N 320.368 -0.049 30 20 DBED C=C[C@](C)(O)CC(=O)N(C)CCNCC(=O)Nc1cnccn1 1753184899 YIDOHCDYAJVRPE-HNNXBMFYSA-N 321.381 -0.210 30 20 DBED C#CCNC(=O)CN[C@H](CC)CNC(=O)c1ccc(=O)n(C)c1 1753476382 AMWLMZVCUHNZGB-CYBMUJFWSA-N 318.377 -0.767 30 20 DBED C=CCNC(=O)CN1CC[C@@H]1CNC(=O)CN1CC[C@@H](C)C1 1754493732 FDCLFUNYHIKCJZ-ZIAGYGMSSA-N 308.426 -0.179 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(N[C@H]2CCN(CC)C2=O)CC1 1754513481 ACWLMWWBVMIAMM-STQMWFEESA-N 307.394 -0.116 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@]1(C)CCN(CC(=O)NC(=O)NC)C1 1754671497 ZJDLSCCDLXBBKD-NHYWBVRUSA-N 324.381 -0.939 30 20 DBED C#CCNC(=O)CNC1(CNC(=O)C[C@@H]2CCC(=O)N2)CCC1 1754988918 PYMJOPQDMABKOE-LBPRGKRZSA-N 320.393 -0.967 30 20 DBED C=CCCN1CC2(C1)CN(C(=O)C[C@@H](C)NC(N)=O)CCO2 1755051858 JETVVWNWPWMISN-GFCCVEGCSA-N 310.398 -0.077 30 20 DBED C[C@@H](NC(=O)C(C)(C)C)C(=O)NC1(CCO)CN(CC#N)C1 1755335641 PLHFKYKREZFJGV-LLVKDONJSA-N 310.398 -0.386 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H](CO)CNC(=O)c1cncc(F)c1 1755626173 AJCGOPXMXNKKNT-MFKMUULPSA-N 322.340 -0.961 30 20 DBED C#CCCN(C)C[C@@H](O)CN(C)C(=O)c1cc(C(N)=O)c[nH]1 1755807046 PCTNHEYJSNJXBF-GFCCVEGCSA-N 306.366 -0.498 30 20 DBED C#Cc1ccc(C(=O)N[C@H](CO)CNC(=O)[C@H](O)C(C)C)cc1 1756515741 OPSAZGQOXQWHCK-LSDHHAIUSA-N 318.373 -0.108 30 20 DBED C=CCO[C@H](C)C(=O)N1C[C@@H](NC(=O)c2cn(C)nn2)[C@H](C)C1 1757067107 KRZSIYUQRIPOMV-IJLUTSLNSA-N 321.381 -0.017 30 20 DBED C#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)C(=O)N(C)C)CCO2 1785423428 VEEXCMFTIRZYBN-MRXNPFEDSA-N 321.377 -0.682 30 20 DBED C=C1CC(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@@H](N)CN)C3)C1 1792501109 PGUADCSNEYUDMK-CRWXNKLISA-N 306.410 -0.123 30 20 DBED CO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)S)C2 1801046695 WKEGRQSVDXFANC-PZWNZHSQSA-N 316.423 -0.071 30 20 DBED C#CC(=O)N1CCC2(CCCN(C(=O)C(=O)N(C)C)C2)CC1 1809579563 FLBSRXQQHATDKF-UHFFFAOYSA-N 305.378 -0.061 30 20 DBED C[C@H](O)C(=O)N1CCC(N2CCC(NC(=O)CC#N)CC2)CC1 1834402880 AOIFLXSHDHLUEI-LBPRGKRZSA-N 322.409 -0.148 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)c2cccc(O)c2)CC1 81012093 FQHSQHRXIZRJRH-UHFFFAOYSA-N 302.334 -0.210 30 20 DBED N#C[C@H]1CN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CCO1 106235558 QZRGDALVPOIXDG-QMMMGPOBSA-N 308.319 -0.231 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC(N(CC)S(C)(=O)=O)CC1 109010411 SYIKREKWUUJVBK-LBPRGKRZSA-N 315.439 -0.130 30 20 DBED C=CC[C@@H](C)NS(=O)(=O)c1cnc2[nH]c(=O)[nH]c(=O)c2c1 176718647 KDOOXZIVEZAKBZ-SSDOTTSWSA-N 310.335 -0.146 30 20 DBED C/N=C(\NCc1ccc(C(N)=O)o1)N1CCO[C@H](COC)C1 261817210 ICIKKRIJFJPRIC-NSHDSACASA-N 310.354 -0.199 30 20 DBED COc1ccc(N/C(N)=N/CCN2C(=O)CNC2=O)cc1OC 267392837 DKWJOUGZXSCCEE-UHFFFAOYSA-N 321.337 -0.018 30 20 DBED C[C@@H]1CN(c2c(C#N)c(=O)n(C)c(=O)n2C)CCN(C2CC2)C1 295019825 URZPFSKPGNCKDI-NSHDSACASA-N 317.393 -0.124 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H]2CCCCO2)C1=O 299620805 ZUTZHENOCNAPEG-JTQLQIEISA-N 309.322 -0.352 30 20 DBED CN1CCC[C@@H]1/C(O)=N/[C@@H]1CC(=O)N(CCN2CCOCC2)C1 329763605 UTQPESSXYRZUQG-ZIAGYGMSSA-N 324.425 -0.030 30 20 DBED CS(=O)(=O)c1ccc(N=C(O)N2CCO[C@@H](CO)C2)cn1 331130642 GLJIPNXSUBMDIT-SNVBAGLBSA-N 315.351 -0.276 30 20 DBED CN1CCO[C@H](C/N=C(/O)N2CCC(N(C)CCO)CC2)C1 331134915 UTVONMJRVFCQCC-CQSZACIVSA-N 314.430 -0.381 30 20 DBED Cc1cc(N/C(O)=N/CCNS(=O)(=O)N(C)C)n(C)n1 331226488 CQNMFBFFZPIPTB-UHFFFAOYSA-N 304.376 -0.550 30 20 DBED C[C@@H](O)C[C@@H]1COCCN1C(=O)C(=O)Nc1ccc(C#N)cn1 340346382 VRFLDJOOSZYRNX-ZYHUDNBSSA-N 318.333 -0.110 30 20 DBED C=CCc1ccc(OCC(=O)N[C@H](CO)C(N)=O)c(OC)c1 341751453 ZTHXWBVBSVNAQK-LLVKDONJSA-N 308.334 -0.235 30 20 DBED N#C[C@@H]1CSCCN1C(=O)C1CCN(S(N)(=O)=O)CC1 342213828 IMDWYOYXNODEIR-SNVBAGLBSA-N 318.424 -0.631 30 20 DBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCCO 343126681 MLCRJDDMTFVCRU-JTQLQIEISA-N 311.363 -0.276 30 20 DBED C=CCN(C(=O)[C@@H]1CN(CC)CCO1)[C@@H]1CCS(=O)(=O)C1 355252884 ILRJYCRZSGSEPL-OLZOCXBDSA-N 316.423 -0.091 30 20 DBED CC#CCCNC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 361640172 SHLCYDNDRXVXCI-UHFFFAOYSA-N 306.366 -0.468 30 20 DBED COc1cc(C#N)ccc1S(=O)(=O)N(CCO)CCCO 362131516 WOERQUSRWWWSND-UHFFFAOYSA-N 314.363 -0.068 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@H]2CN(C)C[C@@H]2C)CC1 362450070 CRVBALOBYMDCLD-KBPBESRZSA-N 308.426 -0.370 30 20 DBED C=CCN(CC=C)C(=O)C(=O)N1CCN([C@@H]2CCNC2)CC1 423005208 LVGLEBKSBAOCAU-CQSZACIVSA-N 306.410 -0.307 30 20 DBED C#C[C@@H](CC)NC(=O)NCCC(=O)N1CCN(C(C)=O)CC1 491747091 CEKURWYUKCOJNJ-ZDUSSCGKSA-N 308.382 -0.222 30 20 DBED C#CCN1CCC(C(=O)OCc2cc(=O)n(C)c(=O)n2C)CC1 491783118 OTOSGOGIRBQDPC-UHFFFAOYSA-N 319.361 -0.528 30 20 DBED CN1C[C@@H](C(=O)N(C)CCCc2[nH]nc(N)c2C#N)CC1=O 540453073 NCPUXSJREIMQMQ-VIFPVBQESA-N 304.354 -0.267 30 20 DBED O=c1onc(-c2ccccc2)n1C[C@@H](O)CNCC#CCO 567877170 IPQCOBDQHJYSEC-ZDUSSCGKSA-N 303.318 -0.551 30 20 DBED COCC[C@@H](CO)NCCS(=O)(=O)c1ccc(C#N)cn1 583630941 BBYSLIMFVCBYDX-LBPRGKRZSA-N 313.379 -0.286 30 20 DBED CN(C)C(=O)Cn1cnc(NC(=O)N2CCC[C@H](CC#N)C2)n1 596768890 CAJQQIUTCDNCBD-LLVKDONJSA-N 319.369 0.524 30 20 DBED COCCCCN(C)C(=O)C(=O)N1CCN(CCC#N)CC1 601496620 HXFOGPOUJJPULW-UHFFFAOYSA-N 310.398 -0.071 30 20 DBED CCN(CC)CCNC(=O)C(=O)N1CCN(CCC#N)CC1 602221004 PFTGVGDVCDOVIA-UHFFFAOYSA-N 309.414 -0.498 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN(CC(=O)NCC)CC1 665999972 WZZGTKHQBMMSKX-CQSZACIVSA-N 324.425 -0.262 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)c1ccc(CS(N)(=O)=O)cc1 746628889 SALDGSUBZJCDBG-JTQLQIEISA-N 324.358 -0.230 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[C@H](OC)C2)c1=O 751947302 OJZNETHSBRKPLM-LBPRGKRZSA-N 322.365 -0.778 30 20 DBED C#CCCCOC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 766899433 AHVDAMMBTHGFGV-UHFFFAOYSA-N 313.335 -0.652 30 20 DBED COCC#CCOC(=O)CNS(=O)(=O)c1ccccc1N 800233499 ZUIBSGUYEFQEPX-UHFFFAOYSA-N 312.347 -0.260 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCC[C@@H]2COC[C@@H]21)[C@@H]1CCCO1 817838874 UAGWMYCDQRHKOT-RFGFWPKPSA-N 306.362 -0.079 30 20 DBED CC1(C)NC(=O)N(CCn2cnc(-c3nn[nH]n3)c2C#N)C1=O 824812236 MFQDBYTWCZUAHW-UHFFFAOYSA-N 315.297 -0.735 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H]1CCC[C@@H]1NS(C)(=O)=O 826860799 MVQQERFUGDFTPP-WOPDTQHZSA-N 302.396 -0.141 30 20 DBED Cc1ccc(C(=O)N(CC#N)CC(=O)O)cc1S(N)(=O)=O 832912336 JZYFQEZSNWILBU-UHFFFAOYSA-N 311.319 -0.307 30 20 DBED CON=CC(=O)NC[C@H](NS(=O)(=O)N(C)C)C1CCCC1 837705670 MTTZFOUUULFPPX-NSHDSACASA-N 320.415 -0.310 30 20 DBED CCN(CC)CC#C[C@@H](C)OC(=O)[C@H]1CCS(=O)(=O)N1 845498322 XYKYMUBQBAVKRH-VXGBXAGGSA-N 302.396 -0.045 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 850712748 QURLXDCXBLBDTI-UONOGXRCSA-N 307.394 -0.353 30 20 DBED C#C[C@H](NC(=O)C(=O)N1C[C@@H]2CCNC[C@@H]2C1)[C@@H]1CCCO1 911148620 YGVJNKRGWXVDQA-CRWXNKLISA-N 305.378 -0.649 30 20 DBED O=C(N[C@@H]1CCN(C(=O)C#CC2CC2)C1)c1cccn2nnnc12 940648115 UWXVVSGUPCNCMO-GFCCVEGCSA-N 324.344 -0.132 30 20 DBED Cc1ncc(C(=O)NC[C@@H]2CN(C(=O)[C@@H](C)C#N)CCO2)n1C 944733348 JSWQYNQIRBZBET-CMPLNLGQSA-N 319.365 -0.155 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)c2cn(C)c(O)n2)C1 944758330 ABWBJVCHZSYUTE-ZJUUUORDSA-N 321.337 -0.757 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C[C@@H]1C 947324011 OTXBYWNJHJBMJO-NWDGAFQWSA-N 320.397 -0.078 30 20 DBED N#Cc1ccc(C(=O)NC[C@H]2CCN2C(=O)[C@@H]2CCNC2=O)[nH]1 949448369 BOHDBZUEVJCLLR-GHMZBOCLSA-N 315.333 -0.647 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CCCN(C(=O)CC(N)=O)C2)c1 950253353 ILCHKCFXRRVHLL-SNVBAGLBSA-N 303.322 -0.517 30 20 DBED Cn1ncc(C(=O)NC[C@@H]2CCN2C(=O)c2ccc(C#N)[nH]2)n1 951087063 QHYFVPFZURPOAJ-JTQLQIEISA-N 313.321 -0.341 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@@]3(CCN(C(=O)C(N)=O)C3)C2)[nH]1 953152451 KXGWITUNRIMLQA-OAHLLOKOSA-N 315.333 -0.564 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@]2(CCN(C(=O)c3nnn(C)n3)C2)C1 953204234 KFFXMBSLWFKHLC-HZMBPMFUSA-N 317.353 -0.566 30 20 DBED COCCn1cc(C(=O)N(C)C2CN(C(=O)[C@H](C)C#N)C2)nn1 954278808 PPRGADOSVMGKPB-SNVBAGLBSA-N 320.353 -0.633 30 20 DBED C[C@]1(NC(=O)[C@@H]2CNC(=O)N2)CCN(C(=O)C#CC2CC2)C1 957454507 CLHRWHUECARZBJ-NHYWBVRUSA-N 304.350 -0.812 30 20 DBED C=CCN1C[C@@H](O)[C@@H](CNC(=O)c2ccnn2CCOC)C1 958171973 OFHZUQXWHVHVIY-GXTWGEPZSA-N 308.382 -0.262 30 20 DBED C=CCN1C[C@@H](O)[C@H](CNC(=O)c2cnc3nccn3c2)C1 958258918 XNZBJVGBEHUONW-DGCLKSJQSA-N 301.350 -0.062 30 20 DBED C#CCCN1C[C@@H]2C(NC(=O)c3ccc(-n4cnnn4)cn3)[C@H]2C1 961361145 UKZLNHRZASZZTA-STQMWFEESA-N 323.360 -0.259 30 20 DBED C#CCN1C[C@H]2C(NC(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)[C@@H]2C1 961744869 NBGFHGIKZOPPJB-LPWJVIDDSA-N 305.378 -0.698 30 20 DBED C#Cc1ccc(C(=O)NC2[C@@H]3CN(CC(=O)N4CCC4)C[C@@H]23)cn1 962346229 XUIRLGOJORTBKL-HUUCEWRRSA-N 324.384 -0.045 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCCCN1C(=O)C(N)=O 964569545 WDLFZMDKTUBOPZ-UPJWGTAASA-N 323.393 -0.050 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CN(C(=O)c3cn[nH]c3)CCO2)C1 965313426 LQXGKMRCMHECHD-SNVBAGLBSA-N 303.322 -0.377 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC2(CN(C(=O)c3cnco3)C2)C1 965478957 WYVBIWJBNUYZRW-JTQLQIEISA-N 304.306 -0.112 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1NC(=O)Cn1ncnn1 966407428 HVEZQVJDUYLPTC-PWSUYJOCSA-N 302.338 -0.950 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CN(C)CCO1 968736747 UHILOZSMCMPGGJ-FQUUOJAGSA-N 320.393 -0.322 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)[C@H]3CCN(C(C)=O)C3)C2)C1 972655798 PFZFEYJOJSVOPV-RDJZCZTQSA-N 319.405 -0.209 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3COCCO3)C2)[nH]1 973031755 UGJHCSCQNACEGI-GVXVVHGQSA-N 318.333 -0.321 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)C(N)=O)cn1 977028373 DQPNFRUEZPQKSJ-CHWSQXEVSA-N 314.345 -0.295 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]1CN(C)C(=O)c1c[nH]c(=O)cn1 978280212 NLMKVRFABHRKHD-UWVGGRQHSA-N 303.322 -0.398 30 20 DBED C#Cc1ccc(C(=O)NC2CCC(NC(=O)C(N)=O)CC2)nc1 980417132 WTDQMGASNUDDIB-UHFFFAOYSA-N 314.345 -0.295 30 20 DBED C#CCN1CCCC2(C1)CN(C(=O)CN1C(=O)CCC1=O)C2 982143839 HWOUDEUGGWENGR-UHFFFAOYSA-N 303.362 -0.307 30 20 DBED C=CCN1CC[C@H](NC[C@H]2C[C@H](NC(=O)c3cnn[nH]3)C2)C1=O 984187251 WNCWXMKAKMTUBL-SRVKXCTJSA-N 318.381 -0.310 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@H](NC(=O)Cn2nccn2)[C@H](O)C1 991505214 WTZWJPITYVDCBP-NWDGAFQWSA-N 321.381 -0.432 30 20 DBED C=CCN1CCC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@@H]1C 993332320 AYDMVVYXZGJWMS-WDEREUQCSA-N 306.370 -0.468 30 20 DBED CC1(C)CN(C(=O)CC[C@H]2NC(=O)NC2=O)C[C@@H]1NCC#N 996583181 GKXQFZPAQFWBDN-ZJUUUORDSA-N 307.354 -0.675 30 20 DBED O=C1CCN(C(=O)C2CC2)CCN(C(=O)C#CC2CC2)CCN1 1001708369 NJAXKUBHRVUQKJ-UHFFFAOYSA-N 317.389 -0.013 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C(=O)C[C@H]2CCC(=O)NC2)CC1 1011234397 RAZPGXHETVWBEK-NWDGAFQWSA-N 306.366 -0.267 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C(=O)[C@@H]2CCCCN2C(N)=O)CC1 1012330559 HXXHBTCUDQBCIZ-NEPJUHHUSA-N 321.381 -0.250 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@H](N[C@@H]2CCCNC2=O)C1 1018986062 QEABYCGYEKVEIF-ZNMIVQPWSA-N 318.421 -0.447 30 20 DBED C=CC(C)(C)C(=O)N1CC2(CCN(C(=O)[C@@H]3CNC(=O)N3)C2)C1 1019255231 FGCNNUHTALJFGM-NSHDSACASA-N 320.393 -0.059 30 20 DBED C=C1CC(C)(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CCC(=O)N3)C2)C1 1023202742 CCEPOZLIBRCJTO-IJLUTSLNSA-N 321.377 -0.691 30 20 DBED CCc1ncoc1C(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1O 1025548443 DMWVOGVBXMUUKI-JMJZKYOTSA-N 306.322 -0.302 30 20 DBED C#CCCN1CCC[C@@H]1CNC(=O)[C@@H]1Cc2cncn2C(=O)N1 1028043821 XYHRQVXPMOENRC-OCCSQVGLSA-N 315.377 -0.031 30 20 DBED Cn1nnnc1CN1[C@H]2CC[C@H]1CN(C(=O)C#CC1CC1)C2 1029301522 UGUYINWYFSUDQB-STQMWFEESA-N 300.366 -0.201 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)c3nccc(C)n3)C2)C1=O 1030263667 QEZBKKKUVOEMPG-ZDUSSCGKSA-N 315.377 -0.014 30 20 DBED C#CCCN1CC[C@@H](N(C)C(=O)CN2CCCS2(=O)=O)C1 1033131370 MCKKCMCGWKFOJQ-CYBMUJFWSA-N 313.423 -0.422 30 20 DBED C=CCN1CCO[C@H](CNC(=O)[C@H]2CN(C(C)=O)CCO2)C1 1035593779 ZYMNCYCRUDKTRT-ZIAGYGMSSA-N 311.382 -0.763 30 20 DBED C#CCN1CCO[C@H](CNC(=O)c2ccc(C(N)=O)nc2)C1 1035622563 RWYWCQOOOXVKRI-GFCCVEGCSA-N 302.334 -0.756 30 20 DBED C#CCCN1CC[C@H]2CN(C(=O)CN3CCNC(=O)C3)CC[C@H]21 1036792338 NXJIIDTWDXMERT-LSDHHAIUSA-N 318.421 -0.636 30 20 DBED C=CCN1CC[C@H](N2CC[C@@H]2CNC(=O)c2nc[nH]n2)C1=O 1038824953 DWMDPIRVKBCDAP-MNOVXSKESA-N 304.354 -0.604 30 20 DBED C#CCCCC(=O)NC[C@]1(O)CCN(C(=O)[C@H](O)C(C)C)C1 1039574011 MQQUIUYQKWPIJO-GDBMZVCRSA-N 310.394 -0.114 30 20 DBED C=C(C)CCC(=O)NC[C@]1(O)CCN(C(=O)Cn2ncnn2)C1 1039986676 FZVAABDXLJLNCP-CQSZACIVSA-N 322.369 -0.891 30 20 DBED COc1nc(C(=O)NC[C@@]2(O)CCN(C(=O)[C@H](C)C#N)C2)co1 1040370247 ATCPICVGVNADCV-OTYXRUKQSA-N 322.321 -0.464 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)CCCN(C)C)C1 1040759516 IYOVJGUFUUTGFD-WFASDCNBSA-N 310.398 -0.433 30 20 DBED C[C@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)c2cnccn2)C1 1040764108 UUBYXPPPCNYOGK-YGRLFVJLSA-N 303.322 -0.671 30 20 DBED Cn1ccc(C(=O)N[C@@H]2CN(c3ccnc(C#N)n3)C[C@H]2O)c1 1040987812 QFEMKEAXAXCIKK-VXGBXAGGSA-N 312.333 -0.334 30 20 DBED N#Cc1cnc(N2C[C@@H](O)[C@H](NC(=O)c3cnon3)C2)c(F)c1 1041135564 YCJLOEMMNCDKFQ-GHMZBOCLSA-N 318.268 -0.545 30 20 DBED C=CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)c2cc(C)no2)C1 1041438165 ISYREJBJGYUMIM-LLVKDONJSA-N 323.349 -0.123 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(O)(CNC(=O)CCCOC)C1 1041672838 JEVSRZRBFPRUDJ-CQSZACIVSA-N 314.382 -0.570 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCCNC2=O)C1 1041963241 KZGWBVXFHZQYPU-LLVKDONJSA-N 309.366 -0.832 30 20 DBED Cc1cc(CC(=O)NCC2(O)CN(C(=O)[C@H](C)C#N)C2)no1 1042162740 VAXOYFAIRCVHGT-SECBINFHSA-N 306.322 -0.625 30 20 DBED Cn1cnn(CCC(=O)N2CC[C@@H]3CCN(CC#N)[C@H]3C2)c1=O 1042163612 WWDUCPDGDOXLIX-STQMWFEESA-N 318.381 -0.582 30 20 DBED Cn1cc(C(=O)N2CC[C@@H]3CCN(CC#N)[C@H]3C2)c(O)nc1=O 1042353218 JXSZJYRQABPXOC-JQWIXIFHSA-N 317.349 -0.454 30 20 DBED C=C[C@H](CC)CC(=O)N1CC(O)(CNC(=O)CC(=O)NC)C1 1042741163 GXOCQPWZWOMONK-LLVKDONJSA-N 311.382 -0.586 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)c2ncccc2O)C1 1042936527 LCGJRXCLOIUHPV-UHFFFAOYSA-N 317.345 -0.250 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)C(=O)C(C)(C)C)C1 1042936913 UPLITCVWTXGPBX-UHFFFAOYSA-N 308.378 -0.050 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)C1CN(Cc2ncnn2C)C1 1042959958 HQBBZGCCNNUGDE-AWEZNQCLSA-N 316.409 -0.445 30 20 DBED C=CCC(CC=C)C(=O)NCC1(O)CN(C(=O)CC(=O)NC)C1 1043187731 QLSYUUCEPHAOBT-UHFFFAOYSA-N 323.393 -0.420 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CC(=O)N(C)C2)C1 1043410250 QIHPQCRWHRUNKR-LLVKDONJSA-N 309.366 -0.880 30 20 DBED Cc1c[nH]nc1C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@@H]1O 1043929284 NVCCHTANJMEMFX-MNOVXSKESA-N 313.321 -0.641 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)C(C)(C)c2cnc[nH]2)C1 1044014340 AWLYWFFVPVPYMZ-JTQLQIEISA-N 319.365 -0.464 30 20 DBED C=C(C)C[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2cnn(C)n2)C1 1045058569 GJAMJOYUPBUBLU-LLVKDONJSA-N 321.381 -0.280 30 20 DBED Cc1cnccc1CC(=O)N1CC(O)(CNC(=O)[C@H](C)C#N)C1 1045552222 RDKGDMCGFWCXRI-LLVKDONJSA-N 316.361 -0.218 30 20 DBED C#CCN1CC[C@@H](N2CCN(C(=O)c3cn(C)nn3)CC2)C1 1046028651 DPWIPNGAIHCJLP-CYBMUJFWSA-N 302.382 -0.720 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCN([C@@H]2CCN(CCO)C2)CC1 1046065244 IONVFYWFACTOAE-OAGGEKHMSA-N 323.437 -0.212 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)[C@]2(C)CCC(=O)N2)C1 1046203164 VVWFKSBWVKNWMW-HNNXBMFYSA-N 321.377 -0.852 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(O)(CNC(=O)c2nocc2C)C1 1046559891 JPBHGGVYNMIRSR-AWEZNQCLSA-N 323.349 -0.387 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@@H](N(C)C(=O)c2cc(=O)n(C)o2)C1 1047363674 NLKRAJJGFALEJQ-UWVGGRQHSA-N 315.757 -0.152 30 20 DBED CN(C(=O)c1cc(C2CC2)nn1C)[C@H]1CN(CC#N)C[C@@H]1O 1047400378 RSNKYBLHZJKOSD-KBPBESRZSA-N 303.366 -0.062 30 20 DBED COCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C#N)[nH]2)C1 1048692231 ZTBCLADYTLQDIB-STQMWFEESA-N 320.349 -0.433 30 20 DBED C#CCOCCC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CCCO2)C[C@@H]1O 1048844093 CVDSZQIQWLZESX-IHRRRGAJSA-N 324.377 -0.765 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cnn[nH]2)C1 1049061088 ITCHQGTXWDVQIG-RYUDHWBXSA-N 305.338 -0.892 30 20 DBED C=CCN1CC[C@@H](N2C[C@@H]3CCCN(C(=O)C(N)=O)[C@@H]3C2)C1=O 1050130851 INRMLTUZIYWHQS-YNEHKIRRSA-N 320.393 -0.819 30 20 DBED C#CCCN1CCOC[C@@H]1CNC(=O)[C@@H]1CCCCN1C(N)=O 1051200932 FOOYKKIPSVDTAV-KBPBESRZSA-N 322.409 -0.240 30 20 DBED N#Cc1cc(CNC[C@H]2CN(C(=O)C(N)=O)CCO2)ccc1F 1051795362 FLHNBFBCLTXPRF-LBPRGKRZSA-N 320.324 -0.500 30 20 DBED C[C@H]1CN(C(=O)CSCC#N)C[C@H]1CNC(=O)c1cnn[nH]1 1052045322 QLOPBVRRKOZJQK-VHSXEESVSA-N 322.394 -0.114 30 20 DBED C#CCCN1CC2(CC[C@@H](CNC(=O)[C@@H]3COC(=O)N3)O2)C1 1053596171 MCIULTAGJWPWFP-RYUDHWBXSA-N 307.350 -0.532 30 20 DBED C[C@@H](C#N)C(=O)N[C@]1(CO)CCCN(C(=O)CC(=O)N(C)C)C1 1056097409 PRAQHEPBHYTOFC-XHDPSFHLSA-N 324.381 -0.906 30 20 DBED Cn1nnc(C(=O)NC2[C@@H]3CN(c4ncccc4C#N)C[C@@H]23)n1 1056371680 ADDRXHAEOVMVQQ-NXEZZACHSA-N 310.321 -0.659 30 20 DBED C#CCO[C@H](C)C(=O)NCCN(CCO)C(=O)[C@@H](C)SC 1057056048 NVHWBSUAWHORNX-VXGBXAGGSA-N 316.423 -0.287 30 20 DBED CN(C)CCC(=O)NCCN(CCO)C(=O)C#CC(C)(C)C 1057540124 HWZULTKXLIYEOI-UHFFFAOYSA-N 311.426 -0.075 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)Cc1cscn1 1057619361 JZRCQBIKQDNCON-SNVBAGLBSA-N 310.379 -0.218 30 20 DBED Cn1cc(C(=O)N2CCC[C@@H](N=c3cc[nH]c(C#N)n3)C2)nn1 1057637649 MAKPQVLUUDSVIB-SNVBAGLBSA-N 312.337 -0.385 30 20 DBED N#Cc1cncc(N2CCC[C@@H](NC(=O)[C@@H]3COC(=O)N3)C2)n1 1058152293 PKTQXBDPKLNGAW-KOLCDFICSA-N 316.321 -0.458 30 20 DBED CO[C@@H](C(=O)N(CCO)CCNC(=O)[C@H](C)C#N)C1CCC1 1058184715 ZGGDCJGCJRXEFH-DGCLKSJQSA-N 311.382 -0.102 30 20 DBED N#Cc1ccc(N2CCC3(CC2)C[C@@H]3NC(=O)C(N)=O)nn1 1058646014 WAHCMVKWFKXOSD-JTQLQIEISA-N 300.322 -0.691 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)c1cc2n(n1)CCC2 1058661166 PWBQXFJVBULUAD-LLVKDONJSA-N 319.365 -0.460 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)CCCCC(N)=O 1058834295 SALNWVHABVYHRG-NSHDSACASA-N 312.370 -0.871 30 20 DBED N#Cc1cncc(N[C@H]2C[C@H](NC(=O)[C@H]3COCCO3)C2)n1 1059161310 GRQDKVAEPMPKJP-CKYFFXLPSA-N 303.322 -0.177 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1COCCN1C(=O)Cc1ncc[nH]1 1061566719 SNULLKQNBOXQJM-CYBMUJFWSA-N 318.377 -0.045 30 20 DBED C=CCOCC(=O)N1CCOC[C@@H]1CNC(=O)c1cnon1 1061806986 ZMLUKHUZSKGJID-JTQLQIEISA-N 310.310 -0.771 30 20 DBED CNC(=O)CC(=O)NCC1(NC(=O)c2c[nH]c(C#N)c2)CCC1 1062843107 RVBOBXMOPKOMCA-UHFFFAOYSA-N 317.349 -0.209 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)NCC1(NC(=O)C(N)=O)CCC1 1063034325 YAHOPICBAFEPLZ-LLVKDONJSA-N 324.381 -0.902 30 20 DBED N#Cc1cncc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)c2ccc(O)nn2)n1 1064216439 NYTZPEFYNTWNMJ-YKHWKNEFSA-N 323.316 -0.149 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@H]1CN(C(=O)C(F)F)CCO1 1064717888 WAPCHPIUFANQOC-TVQRCGJNSA-N 306.309 -0.078 30 20 DBED C=C(C)C[C@@H](C)C(=O)NC[C@H]1CN(C(=O)CC(N)=O)CCO1 1065000724 FMLNFFHYAPSQIS-NEPJUHHUSA-N 311.382 -0.192 30 20 DBED CC(C)C#CC(=O)N1CCO[C@@H](CNC(=O)[C@@H](C)CC(N)=O)C1 1065126462 QBRATGRTWZMDKW-STQMWFEESA-N 323.393 -0.499 30 20 DBED Cc1nc(O)[nH]c1C(=O)N1CCO[C@@H](CNC(=O)[C@H](C)C#N)C1 1065265768 NVRYPZVLDFVVFL-SCZZXKLOSA-N 321.337 -0.459 30 20 DBED C=CCO[C@H](C)C(=O)N1CCO[C@H](CNC(=O)c2cnon2)C1 1065278032 FOXQSZFMKUTTAH-GHMZBOCLSA-N 324.337 -0.382 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CN(C(=O)c2cnc(O)n2C)CCO1 1065420521 JIXCADRYQKJGKA-VHSXEESVSA-N 321.337 -0.757 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CCCN(C(=O)c2nnn(C)n2)CC1 1066138056 WUDNLEITXDFGMC-GFCCVEGCSA-N 318.381 -0.020 30 20 DBED C[C@H](Nc1ccc(C#N)cn1)[C@H]1CN(C(=O)CC(N)=O)CCO1 1068226894 CGQUJQBBTHAISZ-CMPLNLGQSA-N 317.349 -0.144 30 20 DBED CC(C)N(C)CC(=O)N1CCOC2(C1)CN(C(=O)[C@H](C)C#N)C2 1068405610 KOIWVNNCQBEXGY-CYBMUJFWSA-N 322.409 -0.074 30 20 DBED N#CCN1CCn2ncc(CNC(=O)c3cc[n+]([O-])cc3)c2C1 1069851658 OVZCUNKCKRDZJH-UHFFFAOYSA-N 312.333 -0.214 30 20 DBED CC(C)C#CC(=O)NC1(CNC(=O)CNC(N)=O)CCOCC1 1070107671 NWMJJWJFZXGQPB-UHFFFAOYSA-N 324.381 -0.904 30 20 DBED N#CCN[C@@H]1CN(C(=O)[C@@H]2CCCCO2)C[C@@H]1n1ccnn1 1070177562 BEPALNQPEYPUHP-AGIUHOORSA-N 304.354 -0.288 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@@H](NC(=O)C#CC2CC2)C1 1070636250 PPOLMXOMTBMCJX-CQSZACIVSA-N 315.373 -0.354 30 20 DBED Cc1c(C(=O)N2CCC(=O)NCCN(CC#N)CC2)cnn1C 1070937689 VCZDGVNILDVNFE-UHFFFAOYSA-N 318.381 -0.484 30 20 DBED C=C(Cl)CN1CCNC(=O)CCN(C(=O)CC(N)=O)CC1 1070948693 WQGWOVAIDGNLMV-UHFFFAOYSA-N 316.789 -0.735 30 20 DBED CC#CCN1CCNC(=O)CCN(C(=O)c2[nH]nnc2C)CC1 1070985705 SPQZZXOEAFSOFX-UHFFFAOYSA-N 318.381 -0.599 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CCCN(C(=O)c2c[nH]c(=O)cn2)C1 1071198132 INCAKRUNYAIZKG-NXEZZACHSA-N 303.322 -0.350 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@@H]1C 1072014228 NQDKWJLHJDDFQR-NWDGAFQWSA-N 319.365 -0.568 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CCN(C(=O)C(N)=O)CC1(C)C 1073380793 ZWSFEVXSHDLGGK-MEBBXXQBSA-N 311.382 -0.458 30 20 DBED C#CCCN1CCC2(C1)CN(C(=O)[C@@H]1CCS(=O)(=O)N1)C2 1073438806 BTFGTOXYDVPUBI-LBPRGKRZSA-N 311.407 -0.764 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(O)CCN(C(=O)COC)CC1 1074416582 YTPZNTQHRSZCHX-CQSZACIVSA-N 314.382 -0.570 30 20 DBED C[C@H]1[C@@H](N[C@H]2CCNC2=O)CCN1C(=O)c1cc(C#N)c[nH]1 1074589112 MWUNFWAMHYAXPQ-DLOVCJGASA-N 301.350 -0.033 30 20 DBED C[C@@H](CCNC(=O)[C@H]1CCC(=O)N1)NC(=O)c1cc(C#N)c[nH]1 1075927239 YRUUTVNLOSEIKP-GXSJLCMTSA-N 317.349 -0.210 30 20 DBED C#Cc1ccc(C(=O)N[C@@H](C)CCNC(=O)CC(N)=O)cn1 1075993991 PINDOSQWGJDUQJ-JTQLQIEISA-N 302.334 -0.437 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)[C@H]1CC1(F)F 1076219238 ZHVLHYIXIKLBKG-VHSXEESVSA-N 315.320 -0.208 30 20 DBED C#CCO[C@@H](C)C(=O)NCC[C@H](C)NC(=O)CN1CCCC1=O 1076508638 BXGNLYQQTOSNKA-STQMWFEESA-N 323.393 -0.342 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)c2nnn(C(C)(C)C)n2)C1 1077033954 AOCFSJMIRWCGOX-GHMZBOCLSA-N 308.386 -0.221 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)c2c(C)c(C)nn(C)c2=O)C1 1077487853 NZOIDMGSRZVQJI-CHWSQXEVSA-N 320.393 -0.252 30 20 DBED CC(C)C#CC(=O)N[C@@H](C)CCNC(=O)CN1CCNC(=O)C1 1077721666 KBFRWRCCQNVNHJ-ZDUSSCGKSA-N 322.409 -0.911 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)c2cccc(C(=O)NC)n2)C1 1078099056 RRWAALZYVLAYNJ-ZIAGYGMSSA-N 318.377 -0.208 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C[C@H]1O 1081340684 GPEXRZJGZCEFPR-RLPMIEJPSA-N 324.377 -0.983 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)c2cnco2)C[C@@H]1O 1081463281 KZHUZLVFHKPSOK-RYUDHWBXSA-N 305.334 -0.117 30 20 DBED C=CCCOCC(=O)NC[C@@H]1CN(C(=O)c2ccon2)C[C@@H]1O 1081569356 NHVODVXQWJKCJL-YPMHNXCESA-N 323.349 -0.184 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2ncccn2)C1 1081688900 XTQSYISSQRYNFI-OLZOCXBDSA-N 316.361 -0.171 30 20 DBED C=CCCCC(=O)NC[C@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1O 1081704384 CHVLLVVIFHBCFZ-WDEREUQCSA-N 307.354 -0.290 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@@H]2CCc3cncn3C2)[C@H](OC)C1 1081871092 XPNXXBHMQJIAGI-BPLDGKMQSA-N 302.378 -0.106 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN([C@@H](C)C(N)=O)C[C@H]2OC)nc1 1082331497 QIDGLYMJGGZXJK-ZLKJLUDKSA-N 316.361 -0.634 30 20 DBED COc1ccc2ncc(C(=O)N[C@@H]3CN(CC#N)C[C@@H]3O)n2n1 1083581033 HYDKASWEXVJZMO-KOLCDFICSA-N 316.321 -0.964 30 20 DBED CC(=O)Nc1nc(C(=O)N[C@@H]2CN(CC#N)C[C@@H]2O)cs1 1083596723 MPYZUPMVWHEBDK-SCZZXKLOSA-N 309.351 -0.600 30 20 DBED CC#CCN1CC[C@@H]2CN(C(=O)c3ccc(=O)n(C)n3)[C@@H]2C1 1084814492 HQKKDVNJALAMIM-TZMCWYRMSA-N 300.362 -0.050 30 20 DBED CNC(=O)NCC(=O)N[C@@H](C)C[C@H](C)N=c1cc[nH]cc1C#N 1089498572 IZKYHCOQFYYHRC-QWRGUYRKSA-N 318.381 -0.001 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2cnn3ccncc23)[C@H](O)C1 1090328295 ZWMNCOYQJRDSNR-UKRRQHHQSA-N 313.361 -0.082 30 20 DBED N#CCSCC(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1O 1090394668 OAOCGAIEFJRUND-CHWSQXEVSA-N 317.374 -0.124 30 20 DBED C#CCN1CC[C@H](NC(=O)c2ncn(C(C)(C)C)n2)[C@@H](O)C1 1090570431 QROTWAQFUVANLM-RYUDHWBXSA-N 305.382 -0.169 30 20 DBED C#CCN1CC[C@H](NC(=O)c2ccnc(N(C)C)c2)[C@@H](O)C1 1090617321 UEOUNRYYWBOJFW-KBPBESRZSA-N 302.378 -0.054 30 20 DBED CC#CCN1CC[C@H](NC(=O)C2CCN(C(C)=O)CC2)[C@@H](O)C1 1090795838 ZMDDQNZDGWFCIT-HOTGVXAUSA-N 321.421 -0.180 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2cnc(OCC)cn2)[C@@H](O)C1 1090856204 YEHGWMHTMYVNSB-YPMHNXCESA-N 304.350 -0.327 30 20 DBED Cc1nc(N(C)C)nc(N2C[C@H]3[C@H](NC(=O)[C@H](C)C#N)[C@H]3C2)n1 1093235356 PPSWVAGRVNWRBO-YJQGPUDQSA-N 315.381 -0.044 30 20 DBED N#CCNC1CCC2(CC1)CN(C(=O)[C@H]1CNC(=O)N1)CCO2 1093404122 QZCCADKMAMFMKO-MQYJIDSJSA-N 321.381 -0.679 30 20 DBED CCc1nc(C#N)cc(NCCNC(=O)[C@H]2COCCN2C)n1 1093554712 OACWAEYCKQYEJD-GFCCVEGCSA-N 318.381 -0.231 30 20 DBED C[C@@]1(C(=O)NCCN=c2cc[nH]cc2C#N)CCCS1(=O)=O 1093721178 DMUWZNSUEOLDAR-AWEZNQCLSA-N 322.390 -0.129 30 20 DBED Cc1nsc(NCCNC(=O)CCn2cnnn2)c1C#N 1093823316 AWVKLHKVAOEGFF-UHFFFAOYSA-N 306.355 -0.072 30 20 DBED N#Cc1cnc(NCCNC(=O)CC(=O)NCC2CC2)cn1 1093845975 KWCROAUJWJGGCM-UHFFFAOYSA-N 302.338 -0.207 30 20 DBED CCc1nc(C#N)cc(NCCNC(=O)[C@@H](C)CC(N)=O)n1 1094033763 ZXTVKZUXLRXQPT-VIFPVBQESA-N 304.354 -0.050 30 20 DBED C#CCN1CC(n2cc(CNC(=O)[C@@H]3CCO[C@@H]3C)nn2)C1 1094330636 OCJLYXAKSSXOGK-BXUZGUMPSA-N 303.366 -0.191 30 20 DBED CN1CCO[C@H](C(=O)NCCCNc2nccnc2C#N)C1 1094349447 VZHLOXJGDWVYQB-LBPRGKRZSA-N 304.354 -0.403 30 20 DBED Cn1cc(C(=O)NCCCNc2ccc(C#N)nn2)n(C)c1=O 1094464043 HODWPSGOOAMRLZ-UHFFFAOYSA-N 315.337 -0.383 30 20 DBED C#CCCN1CC(N2C[C@H](NC(=O)c3ccnn3C)CC2=O)C1 1094712044 SXSUEXDJZMYVEY-GFCCVEGCSA-N 315.377 -0.542 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)c3cn(C)nc3C)CC2=O)C1 1094713860 KFPOXUVQMHPHAS-GFCCVEGCSA-N 315.377 -0.623 30 20 DBED C=CCCN1CC(N2C[C@@H](NC(=O)Cn3nccn3)CC2=O)C1 1094742043 MYLVHUIEKCSFJM-LBPRGKRZSA-N 318.381 -0.745 30 20 DBED C=CCCN1CC(N2C[C@@H](NC(=O)[C@H]3CCN(C)C3)CC2=O)C1 1094815394 RVRAYSRSUGQCDH-KBPBESRZSA-N 320.437 -0.085 30 20 DBED CNC(=O)C1(C(=O)N2CC[C@@H](Nc3ccc(C#N)nn3)C2)CC1 1095047022 BZZUVDVXSDPWIL-LLVKDONJSA-N 314.349 -0.113 30 20 DBED CNC(=O)NCC(=O)N1CC[C@@H](Nc2ccc(C#N)nc2)C1 1095084851 CUYZUFMHNQVZHR-GFCCVEGCSA-N 302.338 -0.105 30 20 DBED C#CCCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cn1ccc(O)nc1=O 1095706494 QHUBKJOVPVOWCM-AGIUHOORSA-N 316.361 -0.306 30 20 DBED N#Cc1cncc(N2CCC[C@@H](NC(=O)C3(C(N)=O)CC3)C2)n1 1096227893 CPSGNZYQPZVGST-SNVBAGLBSA-N 314.349 -0.301 30 20 DBED N#Cc1nccc(N2CC[C@@H](NC(=O)CCCC(N)=O)C2)n1 1096391066 BKYFBBCGHVJUAN-SNVBAGLBSA-N 302.338 -0.301 30 20 DBED CNC(=O)C1(C(=O)N[C@@H]2CCN(c3cncc(C#N)n3)C2)CC1 1096396431 XNXUTOYLXLQOHS-SNVBAGLBSA-N 314.349 -0.431 30 20 DBED N#Cc1nc(=N[C@@H](CNC(=O)C2(C(N)=O)CC2)C2CC2)cc[nH]1 1096795739 UIWZOBDTPUIISY-JTQLQIEISA-N 314.349 -0.658 30 20 DBED N#Cc1c[nH]ccc1=N[C@H](CNC(=O)[C@H]1CNC(=O)N1)C1CC1 1096801224 XIMSXLGFVOTJLQ-CHWSQXEVSA-N 314.349 -0.637 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1C[C@H](NC(=O)C(=O)NCC(F)F)C1 1097078398 NJZGVTJYOKUIED-MGCOHNPYSA-N 323.303 -0.184 30 20 DBED CC(C)(C(N)=O)C(=O)N[C@H]1C[C@@H](Nc2cnc(C#N)cn2)C1 1097228042 SLDWSDCHZPYTBZ-DTORHVGOSA-N 302.338 -0.081 30 20 DBED CCS(=O)(=O)CC(=O)NC[C@H](C)Nc1cnc(C#N)cn1 1097900435 OUHVPDSVWOOWTH-VIFPVBQESA-N 311.367 -0.300 30 20 DBED C[C@H](CNC(=O)c1cccn(C)c1=O)N=c1cc[nH]c(C#N)n1 1097959873 YEDXEDQFDMFGJA-SNVBAGLBSA-N 312.333 -0.301 30 20 DBED C[C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)Nc1ccc(C#N)nc1 1098264867 WONUHKZLGRXXDA-TVYUQYBPSA-N 317.349 -0.097 30 20 DBED CC#CCN(CCO)C1CCN(C(=O)Cc2n[nH]c(C)n2)CC1 1098364221 MWBZZWJHJCUXJZ-UHFFFAOYSA-N 319.409 -0.036 30 20 DBED C[C@H](CNC(=O)[C@@H](C)S(C)(=O)=O)Nc1nccnc1C#N 1098392616 HIOZJIJNUHIEAZ-RKDXNWHRSA-N 311.367 -0.302 30 20 DBED C[C@H](CNC(=O)[C@@H]1CCC(=O)NC1)N=c1cc[nH]c(C#N)n1 1098397394 MNGDNBAXHCPDGT-NXEZZACHSA-N 302.338 -0.787 30 20 DBED C#CCCCC(=O)N1CC[C@H](n2cc(CNCCO)nn2)C1 1098669804 YEQGRCQFHUZKKX-AWEZNQCLSA-N 305.382 -0.063 30 20 DBED Cn1cncc1C(=O)N1CC[C@@H](n2cc(CNCC#N)nn2)C1 1098688609 UKVGTJGQHMKUIF-GFCCVEGCSA-N 314.353 -0.288 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)/C=C(\C)C2CC2)[C@H](O)C1 1099709788 NLCZGNXYNYTWEX-XMSFRJSPSA-N 319.405 -0.357 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2ncccc2O)[C@@H](O)C1 1099783199 MICRPMCHPJDCGZ-JSGCOSHPSA-N 319.361 -0.398 30 20 DBED C#CCCCC(=O)N[C@H]1CCN(CC(=O)NCCC)C[C@H]1O 1099804154 IZHZOEWSEVDNSP-UONOGXRCSA-N 309.410 -0.133 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)C2(C)CCCC2)[C@H](O)C1 1099935682 SDYUKCMIQGBQHG-ZIAGYGMSSA-N 321.421 -0.133 30 20 DBED N#CCNC1CC(CNC(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)C1 1100519232 WUBSJAKHXLJZIG-TUUUFIMRSA-N 308.382 -0.193 30 20 DBED N#Cc1cnc(N2CCC[C@@H]2CNC(=O)Cn2cnnn2)cn1 1100776221 BNIKWZYOEDTNRI-LLVKDONJSA-N 313.325 -0.880 30 20 DBED N#Cc1ccc(N2CC[C@H](CNC(=O)CNC(N)=O)C2)nc1 1100927798 QBQKPEJZYTXBKV-LLVKDONJSA-N 302.338 -0.436 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@@H]2CN(C(=O)CC(N)=O)C[C@]2(C)C1 1101183517 VDQUNIRACXTZCO-HSMVNMDESA-N 322.409 -0.667 30 20 DBED CN(CCNc1cncc(C#N)n1)C(=O)c1cn(C)c(=O)n1C 1101655787 ZZPGCHVIBNRGMQ-UHFFFAOYSA-N 315.337 -0.430 30 20 DBED CCn1cc(CC(=O)N(C)CCN=c2cc[nH]c(C#N)n2)nn1 1102062756 XPCBKXXWXIZPKG-UHFFFAOYSA-N 314.353 -0.505 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)c2ccnnc2)C1 1102398779 FUDXTYNAYKYWAW-TZMCWYRMSA-N 315.377 -0.476 30 20 DBED CC[C@H](CNC(=O)Cn1cnnn1)Nc1ccc(C#N)cn1 1102968687 JYYOVXBCQHIXMH-LLVKDONJSA-N 300.326 -0.053 30 20 DBED CNC(=O)NCCC(=O)NC[C@H](C)CNc1nccnc1C#N 1103929478 ZKNWJMGVHVGNLJ-JTQLQIEISA-N 319.369 -0.168 30 20 DBED C[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1CCNCC(=O)NCC#N 1104810322 MRNPQQOYPGDFPH-GHMZBOCLSA-N 319.369 -0.868 30 20 DBED CN(CCN(C)c1ccnc(C#N)n1)C(=O)[C@H]1CC[C@@H]1C(N)=O 1105521115 BNCSVCZNOBFAJI-QWRGUYRKSA-N 316.365 -0.246 30 20 DBED Cc1cc(=NC[C@@H](O)CNC(=O)[C@@H]2CCCO2)c(C#N)c[nH]1 1105737727 JWFCKFWFCVEEGB-OCCSQVGLSA-N 304.350 -0.248 30 20 DBED CCn1cnc2c(NC[C@H](O)CNC(=O)[C@H](C)C#N)ncnc21 1105773506 IQJFMSNOUJUFQP-ZJUUUORDSA-N 317.353 -0.105 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)[C@H]2CCNC(=O)C2)nc1 1105790652 KUBDDCWGIWVPEI-RYUDHWBXSA-N 317.349 -0.632 30 20 DBED Cn1ccc(C(=O)NC[C@H](O)CNc2cncc(C#N)n2)c1 1105791930 HPFMWIMQMXJGGD-GFCCVEGCSA-N 300.322 -0.110 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)Cn2cncn2)nc1 1105839319 SFAVIINMJNAYFT-LLVKDONJSA-N 301.310 -0.866 30 20 DBED Cc1cc(=NC[C@@H](O)CNC(=O)Cc2cnoc2)c(C#N)c[nH]1 1106070710 ZXOGEUQTUIGZEC-CYBMUJFWSA-N 315.333 -0.197 30 20 DBED COC[C@@H](OC)C(=O)NC[C@H](O)CN=c1cc(C)[nH]cc1C#N 1106088172 ZXHWNENDMPTHJX-TZMCWYRMSA-N 322.365 -0.766 30 20 DBED N#Cc1ccc(NC/C=C\CNC(=O)CCn2cnnn2)nn1 1107299930 JROIVDRACHQDNC-UPHRSURJSA-N 313.325 -0.491 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](C)NC(=O)Cn2nccn2)n1 1107956672 QUECKGWRKRQQPB-SNVBAGLBSA-N 300.326 -0.135 30 20 DBED C#CCCN1CCO[C@@](C)(CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 1108025006 SICGKULXJVTSFA-INMHGKMJSA-N 323.437 -0.064 30 20 DBED C#CCCN1CCO[C@](C)(CNC(=O)[C@H]2CCC(=O)N2C)C1 1108157226 RHESBUPDJQOLDT-CZUORRHYSA-N 307.394 -0.162 30 20 DBED C=CCN1CCO[C@@](C)(CNC(=O)CS(=O)(=O)CC)C1 1108419472 MMAQYQGPCNSRLO-ZDUSSCGKSA-N 304.412 -0.186 30 20 DBED N#CCNC(=O)CN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ncc[nH]1)C2 1108678779 KSGVUJZGJKHSEV-SRVKXCTJSA-N 316.365 -0.368 30 20 DBED C[C@H](CN(C)c1cnc(C#N)cn1)NC(=O)[C@@H]1CCCNC1=O 1109128947 WXJQABHDXRMYQD-ZYHUDNBSSA-N 316.365 -0.185 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H]1CNC(=O)N1 1109652574 ANRUFHOCRVNVBP-VOAKCMCISA-N 306.366 -0.961 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cn1cnnn1 1110266920 KZPITKVJCPFQBK-UPJWGTAASA-N 304.354 -0.956 30 20 DBED COc1ccnc(N2CC[C@@](O)(CNC(=O)[C@H](C)C#N)C2)n1 1111041537 IYJLJELEEYMUMA-QMTHXVAHSA-N 305.338 -0.298 30 20 DBED CCN(C)CCC(=O)N(CCO)CCN=c1cc[nH]cc1C#N 1111507024 LFKOBQXXPSMYPC-UHFFFAOYSA-N 319.409 -0.050 30 20 DBED C[C@@H](CC(N)=O)C(=O)N(CCO)CCNc1ncccc1C#N 1111535206 NJCPXZOUNDBOEF-NSHDSACASA-N 319.365 -0.302 30 20 DBED C#CCNC(=O)CNC[C@]12CCC[C@H]1CN(C(=O)COCC)C2 1112245822 KKJBZVAEVJNQFP-YOEHRIQHSA-N 321.421 -0.009 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)c2n[nH]c(C)c2C)CC1 1112732599 REODSVWLIBGYPW-CYBMUJFWSA-N 317.393 -0.078 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)[C@H](F)C(F)(F)F)CC1 1112868495 PXGZILIMFPWYHL-VIFPVBQESA-N 310.251 -0.329 30 20 DBED C[C@H](N=c1cc[nH]c(C#N)n1)[C@@H](C)NC(=O)c1cnnc(O)c1 1113195340 BLDQRPWUJOWNGC-DTWKUNHWSA-N 313.321 -0.115 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)Cc2ncc[nH]2)CC1 1113455581 OYISZOIAIMJFOH-GFCCVEGCSA-N 303.366 -0.766 30 20 DBED C=CCOCCN1CCN(C(=O)COCc2nncn2C)CC1 1113482991 MMTYXCNYZGFEAX-UHFFFAOYSA-N 323.397 -0.322 30 20 DBED C[C@H](CNC(=O)[C@H]1COCCO1)N(C)c1cnc(C#N)cn1 1113501717 NBXQZSVPKHEURJ-ZYHUDNBSSA-N 305.338 -0.295 30 20 DBED C[C@H](CNC(=O)[C@]1(C)CNC(=O)C1)N(C)c1nccnc1C#N 1113783914 PZCPYFOEOCXKRA-BMIGLBTASA-N 316.365 -0.185 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)CCCOCC)[C@H]2C1 1113926420 ATFYSUPCMVGBNI-TTZDDIAXSA-N 321.421 -0.013 30 20 DBED C=CCCC(=O)N[C@H]1[C@@H]2CN(CCNS(=O)(=O)CC)C[C@@H]21 1114024523 BCZMYYZANQLQOB-IMRBUKKESA-N 315.439 -0.062 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)Cc3ccon3)[C@H]2C1 1114095159 CTFYAKNROQLITQ-JYAVWHMHSA-N 304.350 -0.434 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1[C@@H]2CN(CCn3cccn3)C[C@@H]21 1114160008 PDOXHSCGHCZHBE-VIKVFOODSA-N 315.377 -0.931 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)C3CN(C(C)=O)C3)[C@@H]2C1 1114182331 KBXFXCCALFTTDG-ZIAGYGMSSA-N 305.378 -0.839 30 20 DBED C=CCOCCN1C[C@@H]2C(NC(=O)[C@H]3CCCC(=O)N3)[C@H]2C1 1114445721 WAZVWCJLMQFFFQ-RWMBFGLXSA-N 307.394 -0.096 30 20 DBED N#Cc1ccc(NC[C@H]2C[C@H](NC(=O)CNC(N)=O)C2)nn1 1114736121 ZVTLGVQPMHILCX-CZMCAQCFSA-N 303.326 -0.677 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3nccs3)[C@H]2C1 1115008331 YXQIEUSLBSPBSH-IAZYJMLFSA-N 304.375 -0.448 30 20 DBED C#CCNC1(CNC(=O)C[C@@H]2NC(=O)NC2=O)CCCCC1 1115576287 JUCDPEGPRKSVAK-NSHDSACASA-N 306.366 -0.374 30 20 DBED C[C@@H](CN(C)C(=O)CS(C)(=O)=O)Nc1cnc(C#N)cn1 1115632652 RMVGBPLXXJSCDK-VIFPVBQESA-N 311.367 -0.348 30 20 DBED O=C(Cn1ccc(C=NO)nc1=O)N1CCC2(CC1)OCCO2 1116402316 QWXGAFSKVICSPC-UHFFFAOYSA-N 322.321 -0.583 30 20 DBED N#CCNC(=O)CNC(=O)NC1CCN(C[C@@H]2CCCO2)CC1 1117477528 IKTPORSEPIBTSJ-ZDUSSCGKSA-N 323.397 -0.431 30 20 DBED Cc1ncoc1C(=O)NC[C@H](CO)Nc1cnc(C#N)cn1 1121432307 KOGHSCXCUBWLHG-SNVBAGLBSA-N 302.294 -0.153 30 20 DBED CNC(=O)NCCC(=O)NC[C@@H](CO)Nc1ccc(C#N)cn1 1121439718 RHVPZBQJIBMMAM-NSHDSACASA-N 320.353 -0.839 30 20 DBED N#Cc1cnc(N[C@H](CO)CNC(=O)CC2(O)CCC2)cn1 1121529037 SLCQIFOCJXQIGO-NSHDSACASA-N 305.338 -0.458 30 20 DBED Cn1cncc1CC(=O)NC[C@@H](CO)Nc1ccc(C#N)nc1 1121801617 VOYUBUJDROKXRH-ZDUSSCGKSA-N 314.349 -0.182 30 20 DBED CCCN(C)CC(=O)NC[C@@H](CO)Nc1ccc(C#N)nn1 1121889114 ZICXPXVUIYHKIG-LBPRGKRZSA-N 306.370 -0.421 30 20 DBED N#Cc1cnc(N[C@@H](CO)CNC(=O)Cn2nccn2)c(F)c1 1122098414 RJUFYUNPSDZGJI-SNVBAGLBSA-N 319.300 -0.727 30 20 DBED CCc1ncoc1C(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1 1122501598 XLFPUVGAAQMBJP-SECBINFHSA-N 316.321 -0.477 30 20 DBED C#CCNC(=O)CC(=O)N(C)C[C@H](O)CNc1nccc(C)n1 1124314717 KAZXQQRLWJXYFS-GFCCVEGCSA-N 319.365 -0.844 30 20 DBED CN(C[C@H](O)CN(C)c1ccc(C#N)nn1)C(=O)CC(C)(C)O 1125099530 BNJWYWKSFSBXKD-GFCCVEGCSA-N 321.381 -0.235 30 20 DBED C=CCOCCCC(=O)NCCNCC(=O)NCCCOC 1125248258 RTXJSTYWLKQVKD-UHFFFAOYSA-N 315.414 -0.172 30 20 DBED CC(C)C#CC(=O)NCCNCCN1C(=O)NC(C)(C)C1=O 1126833977 IMMXDCMFVQQIBO-UHFFFAOYSA-N 308.382 -0.318 30 20 DBED N#CCNCc1nnc2n1CC[C@H](NC(=O)c1ncc[nH]1)CC2 1127983996 GXBXHMXBIGNSQO-SNVBAGLBSA-N 314.353 -0.251 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1ccn(C(F)F)n1 1128228181 XRSNALLOIZCSTO-UHFFFAOYSA-N 300.269 -0.763 30 20 DBED C=CC(C)(C)CC(=O)N[C@@H]1CN(CC(N)=O)C[C@@H]1n1ccnn1 1129020588 VCPYJVXLSWLWMW-NEPJUHHUSA-N 320.397 -0.293 30 20 DBED C=CCCN[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@@H]1n1ccnn1 1129803275 DFGNFQMKJHKHEN-YPMHNXCESA-N 316.369 -0.362 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)Cn1nc(C)cc1C 1131064467 NWJZBASWCPELNJ-CYBMUJFWSA-N 305.382 -0.656 30 20 DBED C#CCN1CC[C@@]2(C1)CN(C(=O)CNC(=O)C1CC1)C[C@H](C)O2 1131631750 INNSGIJYYOCNGG-SUMWQHHRSA-N 319.405 -0.162 30 20 DBED COCC#CCNCCNC(=O)[C@H]1COCCN1CC1CCC1 1131824475 BOOREICIKAFJHZ-MRXNPFEDSA-N 323.437 -0.157 30 20 DBED C=CCCn1cc(C(=O)NCCNCC(=O)NCC(C)C)nn1 1135075462 LIOXSMFWUWSQJE-UHFFFAOYSA-N 322.413 -0.054 30 20 DBED C#CCN[C@@H](C)C[C@H](C)NC(=O)Cn1ncn2nccc2c1=O 1135614519 VHRXFANSTNUSGU-RYUDHWBXSA-N 316.365 -0.603 30 20 DBED CC(=O)NCCOCCN1CCC2(C1)CN(C(=O)[C@@H](C)C#N)C2 1147225029 GHBUITIHPQEABR-ZDUSSCGKSA-N 322.409 -0.167 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)Cc1cnn(CC)c1 1147402459 QCFYVBUKRLTMKL-LBPRGKRZSA-N 305.382 -0.711 30 20 DBED C#CCNC(=O)CN1CCCO[C@H](CNC(=O)CCCF)C1 1150108274 DCXXYJNMMIUNAJ-CYBMUJFWSA-N 313.373 -0.307 30 20 DBED N#CCN1CCCO[C@H](CNC(=O)CNC(=O)c2ccco2)C1 1150664490 WLWWCMZLVNRMAX-GFCCVEGCSA-N 320.349 -0.260 30 20 DBED COCCC1(NC(=O)c2c[nH]c(=O)cn2)CCN(CC#N)CC1 1151274752 KIOSGECWUNNZCJ-UHFFFAOYSA-N 319.365 -0.106 30 20 DBED C#CCN1CCC(C(=O)NCCNCCN2CCCC2=O)CC1 1152330355 MMRWFECKRDUKSS-UHFFFAOYSA-N 320.437 -0.340 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@@H](C)OC[C@@H]1CCCO1 1153176999 NCFJVPHZNDYMFV-OLZOCXBDSA-N 313.398 -0.422 30 20 DBED N#Cc1ccccc1CNCCNC(=O)C[C@H]1CC(=O)NC1=O 1153882837 PQFLMXUOXQJMEC-ZDUSSCGKSA-N 314.345 -0.183 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)[C@H](C)c1cnn(C)c1 1154014163 VGUHRSBSXQMTHX-NEPJUHHUSA-N 307.398 -0.080 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)NCCCNC(=O)CSC 1154429821 ODXGXFGFPOPMJL-SNVBAGLBSA-N 316.427 -0.154 30 20 DBED C#CCNC(=O)CC(=O)NCCCNCc1ncc(CC)o1 1156853018 UXEHKQMGDHYTDF-UHFFFAOYSA-N 306.366 -0.028 30 20 DBED C#CCNC(=O)CC(=O)NCCCN[C@@H](C)C(=O)NCCC 1156857607 XGXAIVOGPPWJPB-LBPRGKRZSA-N 310.398 -0.864 30 20 DBED O=C(C#CC1CC1)NCCCNCC(=O)Nc1nncs1 1157705360 YINFVRJRRVMKLM-UHFFFAOYSA-N 307.379 -0.014 30 20 DBED C=CCNC(=O)CNCCCNC(=O)c1cnn2cccnc12 1163722886 FWRIRVCHTWVNSB-UHFFFAOYSA-N 316.365 -0.259 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@@H]1CN(CC)CCO1 1176637187 ZDXVQELIWHEPQI-ZDUSSCGKSA-N 312.414 -0.895 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)C(C)(C)NC(C)=O)C[C@@H]21 1177108202 ZHLPYBCKQLDBIF-UONOGXRCSA-N 307.394 -0.164 30 20 DBED C#CCCN1CCO[C@@H]2CCN(C(=O)COCCN(C)C)C[C@H]21 1177137808 GSLMWPUBOKUZKD-HZPDHXFCSA-N 323.437 -0.110 30 20 DBED C[C@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)C[C@@H]1CCCO1 1178174403 GORSZCGGYJGVSJ-AVGNSLFASA-N 308.382 -0.226 30 20 DBED C#CCCN[C@H]1CCN(C(=O)Cn2ccc(O)nc2=O)[C@H]1C 1179087005 KTZIJSDNIDXQFM-RYUDHWBXSA-N 304.350 -0.449 30 20 DBED C#CCNC(=O)CNC[C@]1(C)CN(C(=O)[C@H]2CCOC2)C[C@H]1C 1180813993 PCOJUMPMCYSXSK-JKIFEVAISA-N 321.421 -0.154 30 20 DBED N#CCNC(=O)CN[C@@H]1CCN(C(=O)CC2CCOCC2)C1 1181750886 DNVHIWUTNZJFEV-CYBMUJFWSA-N 308.382 -0.367 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2cnnn2CC)C1 1182336001 ICBCBIWODRINMQ-VXGBXAGGSA-N 318.381 -0.760 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)CCc2cnc[nH]2)C1 1183127013 ZABHGJZBYBRCRW-TZMCWYRMSA-N 317.393 -0.329 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 1183403797 WXCQCRBVFYZREO-JHJVBQTASA-N 315.377 -0.547 30 20 DBED C=CCCN[C@@H]1CCN(C(=O)c2cn(CC(=O)N(C)C)nn2)C1 1188124978 HMENTDZEQMEXSM-GFCCVEGCSA-N 320.397 -0.254 30 20 DBED C=CCNC(=O)NC(=O)CN(C)[C@H]1CCN(C(=O)C2CC2)C1 1188555189 MRVQMHIHXPNLEH-LBPRGKRZSA-N 308.382 -0.059 30 20 DBED C=CCOCC(=O)N[C@@H]1CN([C@H](CCCC)C(N)=O)C[C@H]1O 1191777799 PLWQRFRPHRJJAY-JHJVBQTASA-N 313.398 -0.606 30 20 DBED Cc1ccn(CC(=O)N2CC[C@H](N(C)CC(=O)NCC#N)C2)n1 1192406712 MZCADGVNQPIRPG-ZDUSSCGKSA-N 318.381 -0.636 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(CC(=O)NCC2CC2)C[C@H]1O 1192503432 DEJCUWLMIVDIMA-ZIAGYGMSSA-N 307.394 -0.523 30 20 DBED C=C(C)CCC(=O)N[C@@H]1CN(CCN2C(=O)CNC2=O)C[C@H]1O 1193370402 VYFLADNZYRYOKY-VXGBXAGGSA-N 324.381 -0.944 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@H](N(C)CC(=O)NC)C2)nc1 1193543004 OFMHCQBWEINNNP-ZDUSSCGKSA-N 300.362 -0.045 30 20 DBED C#CCNC(=O)CC(=O)N1CCCN(Cc2ccn(C)n2)CC1 1195536559 XRWVKVNTTVPTGL-UHFFFAOYSA-N 317.393 -0.406 30 20 DBED C#CCNC(=O)[C@H](C)N1CCCN(C(=O)[C@@H](CC)N(C)C)CC1 1196282675 VMRGRSBGWAAFLU-LSDHHAIUSA-N 322.453 -0.001 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)COC[C@H](C)N2CCCC2)C1 1196298828 CMLKBRHFZPEEJP-RRFJBIMHSA-N 311.426 -0.165 30 20 DBED C[C@@H](NC(=O)CC(C)(C)C)C(=O)N[C@@H]1CN(CC#N)C[C@H]1O 1197723015 CELVPDFAJVGCDG-IJLUTSLNSA-N 310.398 -0.388 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)CCC(=O)N(CC)CC)C1 1198933648 CPTOHMLSDZBRKS-ZIAGYGMSSA-N 309.410 -0.180 30 20 DBED N#CCNC(=O)CNC1CCN(C(=O)[C@H]2CCCOC2)CC1 1199706589 MLIGTDODIYWYCA-LBPRGKRZSA-N 308.382 -0.367 30 20 DBED C#CCCCC(=O)N1CCCO[C@H](CNCC(=O)NCC#C)C1 1200403845 BEKSGFKCRDBRJE-OAHLLOKOSA-N 319.405 -0.254 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)[C@@H]2COCCO2)[C@H](C)C1 1206155523 PCEBEIDRNRWEEU-UPJWGTAASA-N 311.382 -0.860 30 20 DBED C=CCCC(=O)N[C@@H]1CN(CCN2C(=O)CNC2=O)C[C@H]1C 1206544465 IZFPBMRZTWLSLL-VXGBXAGGSA-N 308.382 -0.059 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)c2cc[n+]([O-])cc2)C1 1207149962 AOSWHOXFESMLSH-CQSZACIVSA-N 318.377 -0.184 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)N1CCC[C@H](NCCO)C1 1211262535 UPDUOALMJYOMGQ-LBPRGKRZSA-N 312.414 -0.177 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)Cc2n[nH]c(C)n2)C[C@H]1C 1214585779 QBJRGYHHIOLVEW-ZYHUDNBSSA-N 320.397 -0.606 30 20 DBED CC1CC(C(=O)N2CCO[C@@H]3CN(CC(=O)NCC#N)C[C@@H]32)C1 1217620578 QKPIXIOXYRCVLE-CLRIEMFWSA-N 320.393 -0.416 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)CCCC(C)=O)C1 1219185926 NJUOTSDSNJFLHH-MJBXVCDLSA-N 323.393 -0.955 30 20 DBED CCn1nc(C)c(CN2C[C@H](O)[C@H](NC(=O)[C@H](C)C#N)C2)n1 1219381087 HWMJSCVODFDGEX-WQAKAFBOSA-N 306.370 -0.573 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2ncccn2)C[C@@H]1O 1219605134 JZHWYQSFMMHLAV-UPJWGTAASA-N 304.350 -0.824 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)[C@]3(F)CCOC3)[C@@H]2C1 1221765330 ANHVQLYCICVSDM-IOASZLSFSA-N 323.368 -0.603 30 20 DBED C#CCN[C@@H]1CCCN(C(=O)CCNC(=O)[C@@H]2CCCO2)C1 1222123458 QXGKVHDVBJCVJF-KGLIPLIRSA-N 307.394 -0.115 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@@H]1CC[C@H](OC)C1 1323587264 UCWQPPMINGLZPB-MNOVXSKESA-N 318.395 -0.613 30 20 DBED N#CCCCC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 1325996436 QTCNCJKOSUQPPR-VXGBXAGGSA-N 315.395 -0.706 30 20 DBED C=CCn1cc(CNC(=O)C(=O)NCc2cc(CC)no2)nn1 1326701205 IIANJOCFEUSYMW-UHFFFAOYSA-N 318.337 -0.053 30 20 DBED C=CCSCCNC(=O)C(=O)N[C@H]1CCC(=O)N(C)C1=O 1326701214 ITLCXDRLFKAVKM-VIFPVBQESA-N 313.379 -0.715 30 20 DBED C#CC1CCN(C(=O)C(=O)NCc2cc(C(N)=O)no2)CC1 1326882915 OYCHHVRGAHFUOX-UHFFFAOYSA-N 304.306 -0.739 30 20 DBED C=CCN(C(=O)C(=O)NC[C@]1(C)CCC(=O)N1)[C@H](C)COC 1329083458 XPLAMRIVRRAJDX-ABAIWWIYSA-N 311.382 -0.179 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)N2CC[C@@H](N3CC=CC3)C2)C1 1332387067 SNUNAWVCOOMUSE-CJNGLKHVSA-N 318.377 -0.664 30 20 DBED COC[C@H](C)CC(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1 1341899046 PNHXAAUTODABOH-MNOVXSKESA-N 316.379 -0.375 30 20 DBED C[C@@H](CCS(C)(=O)=O)NC(=O)C(=O)Nc1cccc(C#N)n1 1345810388 CSEYJOWTLPLUGR-VIFPVBQESA-N 324.362 -0.169 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)c2ccncc2)C1 1380107208 MUBSELDVFZRMKV-IAQYHMDHSA-N 302.334 -0.066 30 20 DBED CN(C[C@H](O)CNCc1ncnn1C)C(=O)c1cc(C#N)c[nH]1 1382402803 RYECPDMOWLYXRI-LLVKDONJSA-N 317.353 -0.762 30 20 DBED CNC(=O)NCCC(=O)NC[C@H]1CCCN1C(=O)[C@@H](C)C#N 1387350825 ZPSHFIUAFSCACN-WDEREUQCSA-N 309.370 -0.428 30 20 DBED Cc1nonc1CN1CCN(CCNC(=O)[C@H](C)C#N)CC1 1389403975 BNNISSWDXDMHIS-LLVKDONJSA-N 306.370 -0.229 30 20 DBED CC(=O)N1CC(C(=O)N2CC[C@H](CNC(=O)[C@H](C)C#N)C2)C1 1397651966 GUGFOKPMWKWGAQ-ZYHUDNBSSA-N 306.366 -0.411 30 20 DBED C[C@H](CNC(=O)C(C)(C)NS(C)(=O)=O)NC(=O)[C@H](C)C#N 1408180590 YDQHABINAZWWLG-RKDXNWHRSA-N 318.399 -0.905 30 20 DBED CCC(O)(CC)CCNC(=O)Cn1cc(C#N)c(O)nc1=O 1412841673 SDHFYJOFSZTHBU-UHFFFAOYSA-N 308.338 -0.122 30 20 DBED N#C[C@H]1CCCN(C(=O)[C@H]2CCCN(S(N)(=O)=O)C2)C1 1413545994 YHCJSBLZNRFELP-MNOVXSKESA-N 300.384 -0.336 30 20 DBED COCCn1cc(C(=O)NC[C@H](C)NC(=O)[C@H](C)C#N)cn1 1416940653 QRSWBOGXPTZPLI-MNOVXSKESA-N 307.354 -0.076 30 20 DBED C[C@@H](NC(=O)Cn1cc(C#N)c(O)nc1=O)c1nccn1C 1418667319 XOKMTVATIBPJMV-MRVPVSSYSA-N 302.294 -0.569 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNCc1nnn(C(C)(C)C)n1 1420095874 FHRLHWZXQQSJRK-ZJUUUORDSA-N 309.374 -0.846 30 20 DBED N#Cc1ccc(CN2CC(NC(=O)CCNC(N)=O)C2)s1 1421098608 AGOWOOGRFKAKAQ-UHFFFAOYSA-N 307.379 -0.021 30 20 DBED COc1cc(CNC[C@@H](O)CNC(=O)c2cc(C#N)c[nH]2)on1 1422270205 FNNZZELOXCLQGX-SNVBAGLBSA-N 319.321 -0.237 30 20 DBED C=C(Cl)CN[C@@H](CNC(=O)Cn1ncn(C)c1=O)C1CC1 1490681503 BXEZOVKTUAWRLA-NSHDSACASA-N 313.789 -0.181 30 20 DBED CCCN(C)CC(=O)N1CCN(CCNC(=O)[C@@H](C)C#N)CC1 1524093885 BVVVHJDANBIOBR-AWEZNQCLSA-N 323.441 -0.252 30 20 DBED C=CCNC(=O)CN1C[C@H](NC(=O)CNC(=O)O)CC[C@H]1C 1573368281 LSBRHPCSIPIOKF-GHMZBOCLSA-N 312.370 -0.475 30 20 DBED C=CCN1CC[C@H](N2CCC[C@@H](NC(=O)CNC(=O)O)C2)C1=O 1573368873 SKYQXCQQDPIHKQ-NEPJUHHUSA-N 324.381 -0.379 30 20 DBED CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CO)C(=O)O 1573496975 DAMHYUVWMALBKQ-VHSXEESVSA-N 314.338 -0.145 30 20 DBED N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)CCNC(=O)O 1574242507 YRFHNFNGGUWWHU-UHFFFAOYSA-N 308.298 -0.286 30 20 DBED CC(C)OC[C@H](CO)N(C)c1cnc(-c2nn[nH]n2)c(C#N)n1 1574318830 ZJRUKULERBQHBV-VIFPVBQESA-N 318.341 -0.250 30 20 DBED CO[C@H](CS(=O)(=O)N1CCNC[C@@H]1C#N)C1CCOCC1 1578913327 VSEQJVMBGZJTTG-QWHCGFSZSA-N 317.411 -0.445 30 20 DBED N#CC1(C(=O)N[C@@H]2CC(=O)N(C3CNC3)C2)CCSCC1 1580036233 QISKXOREGZTFPC-SNVBAGLBSA-N 308.407 -0.288 30 20 DBED C#CCN(C(=O)Cn1cnc(-c2nn[nH]n2)n1)C1CSC1 1588348277 ORICGRLWGCPBGH-UHFFFAOYSA-N 304.339 -0.965 30 20 DBED C[C@](C#N)(CC(=O)O)C(=O)N1CCO[C@@H](Cn2ccnn2)C1 1588538543 KMSACSXLEMQWMT-ZWNOBZJWSA-N 307.310 -0.490 30 20 DBED C=C(C)C[C@H](NC(=O)CN1CCS(=O)(=O)CC1)C(=O)O 1588542311 FVULQVKSHPJRGM-JTQLQIEISA-N 304.368 -0.748 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)O 1588684853 ZLHDLQXGDNHZJU-BXKDBHETSA-N 305.352 -0.586 30 20 DBED N#Cc1cccc(CNC(=O)C(=O)N2CCO[C@H](C(=O)O)C2)c1 1594625769 OQDKFCJDKSQSKJ-LBPRGKRZSA-N 317.301 -0.514 30 20 DBED N#Cc1ncccc1S(=O)(=O)N[C@]1(CC(=O)O)CCOC1 1601135261 MNOHCSNYPVDXEM-LBPRGKRZSA-N 311.319 -0.135 30 20 DBED COCC#CCNC[C@H]1CCCN(C(=O)Cc2nc[nH]n2)C1 1752809066 BDPVBBXULDUWOX-CYBMUJFWSA-N 305.382 -0.175 30 20 DBED Cc1cc(C(=O)N(C)[C@H]2CCN(CC(=O)NCC#N)C2)cnn1 1753435661 WCPWLKNFEHKZHS-ZDUSSCGKSA-N 316.365 -0.429 30 20 DBED C#CCNC(=O)[C@H](C)NCCCN(C)C(=O)c1cnc(O)n1C 1754389243 YFTYUPFPVVHVEZ-NSHDSACASA-N 321.381 -0.685 30 20 DBED C#CCCNC1(CNC(=O)C[C@H](C)NC(N)=O)CCOCC1 1754736696 XKSURWSGCALUGU-LBPRGKRZSA-N 310.398 -0.288 30 20 DBED C#CCN1CCC[C@](CO)(NC(=O)[C@@H]2CC(=O)N(CCC)C2)C1 1754859280 TTWXZVRYQASSAA-PBHICJAKSA-N 321.421 -0.179 30 20 DBED C[C@]1(C(=O)N2CCC[C@](CO)(NCC#N)C2)CCC(=O)NC1 1755087178 ATHSJTVGXMPCIP-GJZGRUSLSA-N 308.382 -0.631 30 20 DBED C=CCNC(=O)CN[C@H](C)[C@H](C)NC(=O)c1cnc(OC)nc1 1755264413 WVOSWPOFQHCZDE-MNOVXSKESA-N 321.381 -0.116 30 20 DBED C=CCCN(C)[C@H](C)CNC(=O)CN1C(=O)C(=O)N(C)C1=O 1755320240 PARFBBLJHZOTRN-SNVBAGLBSA-N 310.354 -0.580 30 20 DBED CN(CCOCCNC(=O)C#CC1CC1)CC(=O)NC1CC1 1755544486 JRLHNRSECOEJQY-UHFFFAOYSA-N 307.394 -0.257 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H](CO)CNC(=O)c1ccc(F)cc1 1755621028 GKTLNMJORYLRTH-SMDDNHRTSA-N 321.352 -0.356 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H](CO)CNC(=O)Cc1ccc(C)o1 1755625636 OPQCKMZWMHKRHI-STQMWFEESA-N 321.377 -0.665 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H](CO)NCc1nncs1 1755630309 GQBMGCSCAJFYQF-NEPJUHHUSA-N 323.422 -0.798 30 20 DBED CC#CCN[C@@H](CO)CNC(=O)CCNC(=O)c1cccs1 1755646273 MKSYTKZHGNTBMB-GFCCVEGCSA-N 323.418 -0.042 30 20 DBED C=CCNC[C@@H]1CC[C@@H](NC(=O)CCn2cc[nH]c(=O)c2=O)C1 1755745875 KFKCXTJOFCJLPY-CHWSQXEVSA-N 320.393 -0.013 30 20 DBED CC#CCN(C)C[C@@H](O)CN(C)C(=O)CN1CCCCC1=O 1755803616 YQPIXTVUTDRJQH-CQSZACIVSA-N 309.410 -0.227 30 20 DBED C#CCN1CCC(C(=O)N(C)[C@@H](C)CNC(=O)COC)CC1 1756000891 ZHWFSLHNNOMXCR-ZDUSSCGKSA-N 309.410 -0.059 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)[C@H](C)CNC(=O)CC(=O)NCC 1756019752 DKIMFNZOWDVDBJ-NEPJUHHUSA-N 311.382 -0.486 30 20 DBED C#CCOCCC(=O)N1CC([C@@H](C)NC(=O)C2=COCCO2)C1 1756128446 ZRGLILLUBZTDGF-GFCCVEGCSA-N 322.361 -0.122 30 20 DBED C=CC(C)(C)C(=O)N(CCNC(=O)c1nnn(C)n1)CCOC 1756728734 MFEAHUDEXPYHHV-UHFFFAOYSA-N 324.385 -0.373 30 20 DBED CC(C)C#CC(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)[C@@H]2C1 1756970167 CXTLIDWGKIBKOC-RWMBFGLXSA-N 318.377 -0.614 30 20 DBED C=CCCCC(=O)N1C[C@@H](O)[C@H](NC(=O)CS(C)(=O)=O)C1 1756982587 MWSDNPHJMIYNQS-GHMZBOCLSA-N 318.395 -0.925 30 20 DBED C=CCC(=O)N1CC[C@@]2(C1)CN(C(=O)CNC(N)=O)CCO2 1783923974 MHICJCUCAREKKP-CQSZACIVSA-N 310.354 -0.939 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cn(C)nc1C 1793543988 JRHQSWIYMKPKIM-JJLQDPRZSA-N 316.361 -0.435 30 20 DBED C#CCNS(=O)(=O)c1cccc(/C(O)=N/C2=NC(=O)CN2)c1 50222394 OPDJBJCHROFUQZ-UHFFFAOYSA-N 320.330 -0.612 30 20 DBED C[C@H]1CCCC[C@@]12NC(=O)N(C/C(O)=N/C1=NCC(=O)N1)C2=O 50222895 OSAJXGFXVDOIME-RMLUDKJBSA-N 321.337 -0.071 30 20 DBED CCCCn1c(N)c(N(CC)CC(=O)NCC#N)c(=O)[nH]c1=O 102823033 JNXGFWWOOYHEPC-UHFFFAOYSA-N 322.369 -0.615 30 20 DBED N#Cc1ccccc1S(=O)(=O)NC[C@@H]1CN2CCN1CC2 178878689 CQXLJBFHQMAYSP-CYBMUJFWSA-N 306.391 -0.164 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)c2cnsn2)CC1 264816719 CRCHNYQSOJASPH-UHFFFAOYSA-N 307.379 -0.565 30 20 DBED C=C(Cl)CNC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 265496197 HEPBUFMGOSLTDQ-VHSXEESVSA-N 320.798 -0.109 30 20 DBED CS(=O)(=O)N1CCN(c2nccc(C#N)c2[N+](=O)[O-])CC1 268523500 VPBPGXQLAWEEPM-UHFFFAOYSA-N 311.323 -0.057 30 20 DBED C=CCS(=O)(=O)CCNC(=O)[C@H](CCCC)NC(N)=O 273041987 GHCCYCCPKPGHEX-JTQLQIEISA-N 305.400 -0.070 30 20 DBED C[C@H](C(=O)NCCCC#N)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 273043393 POOMTXWVEGAPTK-JCIQBVFBSA-N 305.334 -0.043 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCc2ncc(CC)o2)C1=O 275292323 VPMUXDZJEGBHCZ-UHFFFAOYSA-N 320.305 -0.170 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N[C@H](C)CC)c1=O 299285730 YHUPTOGNLNBDTB-LLVKDONJSA-N 322.365 -0.542 30 20 DBED C[C@@H](CN1CCCC1=O)/N=C(/O)N[C@@H]1CS(=O)(=O)C[C@@H]1C 329690333 GLYCIROSPLZJGO-GARJFASQSA-N 317.411 -0.066 30 20 DBED COC(=O)c1cc(S(=O)(=O)N2CCOC[C@H]2C#N)cn1C 330862409 SPCKGAPAZBGEJL-SECBINFHSA-N 313.335 -0.275 30 20 DBED C=C[C@H](CO)NC(=O)[C@@H](C)NS(=O)(=O)c1c(C)noc1C 356857597 SEGSPILITNZIPG-PSASIEDQSA-N 317.367 -0.379 30 20 DBED COC(=O)[C@](C)(O)CNC(=O)CNC(=O)c1ccc(C#N)cc1 362422389 KEMRNTXSNBDLNS-OAHLLOKOSA-N 319.317 -0.672 30 20 DBED CCNC(=O)N1CCN(S(=O)(=O)N(C)C[C@H](C)C#N)CC1 407955525 RONHDVQMJXGHAL-LLVKDONJSA-N 317.415 -0.330 30 20 DBED C[C@H]1CN(C(=O)C(=O)N(C)C[C@@H](C)C#N)CCN1CC(C)(C)O 410847478 LGDODTJJNLXCFP-STQMWFEESA-N 324.425 -0.092 30 20 DBED COCCN(CCC#N)S(=O)(=O)N(C[C@@H](O)CO)C(C)C 420773124 WJAHYSSQIDBYQP-GFCCVEGCSA-N 323.415 -0.843 30 20 DBED COCC(C)(C)N1CCN(C(=O)NCC(=O)NCC#N)CC1 425780463 LHFJLHIWCQDUGQ-UHFFFAOYSA-N 311.386 -0.622 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)CCc2ccncn2)CC1 426885413 BEEBXKRARHBLMH-UHFFFAOYSA-N 317.393 -0.144 30 20 DBED C=CCNC(=O)[C@H](C)N1CCC[C@H](C(=O)N2CCNCC2)C1 430665896 NOCJEMGFUOHFMS-KBPBESRZSA-N 308.426 -0.179 30 20 DBED N#Cc1ccc(C(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)cc1O 442644242 DOXIGLUGZOPSDQ-SNVBAGLBSA-N 300.274 -0.360 30 20 DBED CC[C@@H]1CN(CC)CCN1S(=O)(=O)N1CCO[C@@H](C#N)C1 451937755 VSGPUBIQKOKMGC-OLZOCXBDSA-N 316.427 -0.128 30 20 DBED CN(CCC#N)S(=O)(=O)N(C)[C@@H]1CCN(S(C)(=O)=O)C1 490107230 LVMKOKRHRGTREG-SNVBAGLBSA-N 324.428 -0.958 30 20 DBED N#C[C@H]1CN(S(=O)(=O)N2CCOC[C@H]2C2CCC2)CCO1 572398859 GGPOURCQDNEJQE-STQMWFEESA-N 315.395 -0.044 30 20 DBED CS(=O)(=O)c1ccc(C(=O)NCC#CCO)cc1[N+](=O)[O-] 572984807 OGQISLIWRQGZCP-UHFFFAOYSA-N 312.303 -0.276 30 20 DBED COCCN([C@H](C)C(=O)O)S(=O)(=O)N(C)C[C@@H](C)C#N 573254856 AWFILQWUHXAVTA-VHSXEESVSA-N 307.372 -0.256 30 20 DBED N#Cc1cc(NCCN2CCN(c3ncccn3)CC2)ncn1 578110527 SUYHSPAXCXXRJB-UHFFFAOYSA-N 310.365 0.372 30 20 DBED CCN(CCCN(C)C)C(=O)C(=O)NC1CCN(CC#N)CC1 588124640 DLLYXNNFMXUBGN-UHFFFAOYSA-N 323.441 -0.109 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)Cn2nc3ccccn3c2=O)C1 592840142 SAPRWLRCRYNQLX-CQSZACIVSA-N 301.306 -0.627 30 20 DBED CN(CC(N)=O)C[C@@H]1CN(C[C@@H](O)CC(C)(C)C#N)CCO1 598621115 UTIOBIVQNBZZOM-QWHCGFSZSA-N 312.414 -0.595 30 20 DBED CC(C)(C#N)C[C@@H](O)CN1CCOC[C@H]1CNS(C)(=O)=O 599667684 SXMNGQYAISLPEA-VXGBXAGGSA-N 319.427 -0.463 30 20 DBED CCOC(=O)C[C@H](O)Cn1cc(C(=O)OC)cc(C#N)c1=O 600515980 KZKDSQOOQXWJQD-NSHDSACASA-N 308.290 -0.179 30 20 DBED CC[C@@H]1CN(C(=O)C(=O)N2CCN(CCC#N)CC2)CC[C@@H]1N 601582753 NCAMLBIBTIKPDB-KGLIPLIRSA-N 321.425 -0.370 30 20 DBED CC(C)(C)NS(=O)(=O)CC(=O)Nc1nc(C#N)c(C#N)[nH]1 609473542 JFUDDAKZLRHUKT-UHFFFAOYSA-N 310.339 -0.191 30 20 DBED CCOC(=O)[C@@H](CO)NS(=O)(=O)c1cccc(CC#N)c1 619495037 HQBLUPRKDARVEJ-GFCCVEGCSA-N 312.347 -0.045 30 20 DBED C=C[C@@](C)(O)C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 669167807 BZALLVZNEKYYAM-CQSZACIVSA-N 309.370 -0.564 30 20 DBED C#CCNC(=S)NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 758245986 IRKSUOGBSVXGAF-FIQHERPVSA-N 303.387 -0.109 30 20 DBED C#CCCCC(=O)OCC(=O)NCCCN(C)S(C)(=O)=O 759181774 DLYPZNYDXRBLEQ-UHFFFAOYSA-N 318.395 -0.269 30 20 DBED C#CCN1CCN(C(=O)CN2CCN(CCC#N)CC2)CC1 760943371 LKDVKZPTHNAYRA-UHFFFAOYSA-N 303.410 -0.705 30 20 DBED C#C[C@H](C)NC(=O)Cn1c(=O)oc2cc(S(N)(=O)=O)ccc21 775375474 QMZQBESQBKHMDV-QMMMGPOBSA-N 323.330 -0.620 30 20 DBED CC#CCCNC(=O)NCCS(=O)(=O)N1CCOCC1 776126430 CUMLUXOFAPPKBW-UHFFFAOYSA-N 303.384 -0.639 30 20 DBED Cn1c(C=NN2CCCNC2=O)nc2c1c(O)nc(=O)n2C 777902961 POQHSAXAMWXASO-UHFFFAOYSA-N 305.298 -0.878 30 20 DBED COCCS(=O)(=O)CCCn1ccc(C=NO)nc1=O 778592717 HWOVPXBUIOERQH-UHFFFAOYSA-N 303.340 -0.497 30 20 DBED COc1ccc(NN=Cc2c(N)n(C)c(=O)n(C)c2=O)nc1 780267264 IUPPUBPHZZDSJS-UHFFFAOYSA-N 304.310 -0.484 30 20 DBED C#CCCS(=O)(=O)N1CCCN(CC(=O)NCC#C)CC1 808294325 ZSYSHRPCBLXECJ-UHFFFAOYSA-N 311.407 -0.903 30 20 DBED N#Cc1c(N2CC[C@@H](CO)[C@H](O)C2)cccc1S(N)(=O)=O 811837780 DJLCRDKVIMRVND-JOYOIKCWSA-N 311.363 -0.615 30 20 DBED N#CCCOCCOC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 815215372 SQJXGLLNAYRGDY-FPQZTECRSA-N 322.317 -0.378 30 20 DBED C#CCN(C)CCCNC(=O)CS(=O)(=O)NC(C)(C)C 818595782 NLGGTKMAFTWRJG-UHFFFAOYSA-N 303.428 -0.224 30 20 DBED COCCOc1ccc(C#N)cc1NC(=O)C(=O)NCC(=O)O 820733137 QOPYYRRQMZBPOV-UHFFFAOYSA-N 321.289 -0.277 30 20 DBED Cc1csc2ncc(C(=O)N[C@@H]3CNC[C@@H]3C#N)c(=O)n12 834483825 ADPWPTXASOINLR-WCBMZHEXSA-N 303.347 -0.094 30 20 DBED N#C[C@@H]1CNC[C@@H]1NC(=O)c1cccnc1N1CCOCC1 834484668 LMFIOIVIBKXIPK-YPMHNXCESA-N 301.350 -0.240 30 20 DBED N#C[C@H]1CNC[C@H]1NC(=O)CCn1nnc2ccccc2c1=O 834510290 AACOHDLROSBRTE-GXFFZTMASA-N 312.333 -0.591 30 20 DBED C#C[C@H](C)NS(=O)(=O)CCCS(=O)(=O)N(C)[C@@H](C)C#N 848964511 AHQIRAWUPRXIKI-QWRGUYRKSA-N 321.424 -0.509 30 20 DBED C#CCOCCC(=O)N1CCCC[C@H]1CNS(N)(=O)=O 854840844 UBRQEORHEZTVMK-NSHDSACASA-N 303.384 -0.800 30 20 DBED C#CCNS(=O)(=O)N1CCN(c2cc(CC)nc(C)n2)CC1 872632913 BUBDUEFLJZNLJF-UHFFFAOYSA-N 323.422 -0.063 30 20 DBED C#CCN1CCN(C(=O)CONC(=N)CN2CCCCC2)CC1 902656275 LITUVOXJHCLWRE-UHFFFAOYSA-N 321.425 -0.252 30 20 DBED N#Cc1ccc(-c2nc(-c3cn(CCO)c(=O)nc3O)no2)[nH]1 904858128 MCKFBOMJLZAWPR-UHFFFAOYSA-N 314.261 -0.142 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)O 909593899 JRHDFOBOOUKDMO-STQMWFEESA-N 323.393 -0.184 30 20 DBED CC#CCN1CC[C@H](NC(=O)Cn2c(O)nnc2O)C[C@H]1C 947981500 WXNPTEYEJGIIHZ-MNOVXSKESA-N 307.354 -0.318 30 20 DBED CN(C(=O)c1c[nH]c(C#N)c1)C1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 954108277 TVDPTWXUPVCWMG-NEPJUHHUSA-N 315.333 -0.709 30 20 DBED C[C@@H]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)C(N)=O 955797300 SIDPKSXCAVDITC-SCZZXKLOSA-N 303.322 -0.519 30 20 DBED CC(=O)Nc1ccc(C(=O)NC[C@@H]2CN(CC#N)C[C@@H]2O)nc1 958122015 OHIYDLGEEPAICY-RISCZKNCSA-N 317.349 -0.414 30 20 DBED Cc1nn(C)c(Cl)c1C(=O)NC[C@@H]1CN(CC#N)C[C@@H]1O 958296232 DGLVMIVOHCYCFZ-ZJUUUORDSA-N 311.773 -0.072 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C2CCOCC2)C1 958406937 NWLJCRWLQQUIJJ-WXHSDQCUSA-N 309.366 -0.397 30 20 DBED C#CCCN1C[C@@H](O)[C@H](CNC(=O)c2cnc(O)cc2OC)C1 958412608 GWJADIDCLQBIGW-DGCLKSJQSA-N 319.361 -0.158 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2cnn(CCOC)c2)C1 958635386 IOGFPCCEVVGBRF-OCCSQVGLSA-N 306.366 -0.815 30 20 DBED C#CCCN1C[C@H]2[C@H](NC(=O)c3cn([C@@H]4CCOC4)nn3)[C@H]2C1 962232828 SNBVSWMUAHKGKQ-CXTNEJHOSA-N 315.377 -0.077 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)c2ncc(F)cc2F)C1 968631732 LOKUYRFZEHOYPN-XROYCOCOSA-N 324.287 -0.179 30 20 DBED CC(=O)N1CC(C(=O)N2[C@H]3CC[C@H]2CN(C(=O)[C@H](C)C#N)C3)C1 968908548 RWNSMGNEGTVXSY-SWHYSGLUSA-N 318.377 -0.174 30 20 DBED C=C(C)CCN1CCO[C@@]2(CCN(C(=O)Cn3cnnn3)C2)C1 972249215 NOATZJGZCSEHSQ-HNNXBMFYSA-N 320.397 -0.057 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)C(=O)N3CC[C@@H](C)C3)C2)C1 972632461 SMUMOZMVZOBDRL-RHSMWYFYSA-N 319.405 -0.209 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)Cn2cnnn2)C1 972950714 ARTRZTZKJZDVPF-KKOKHZNYSA-N 320.353 -0.972 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CNC(=O)N3)[C@@H]2C1 974944760 ICCQITPHUOWIMH-IJLUTSLNSA-N 320.393 -0.061 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)[C@]3(C)CCC(=O)N3)[C@H]2C1 977137187 DHBXZXDLOOKINL-FBSDCJDYSA-N 304.350 -0.612 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)c3cccc(=O)n3C)[C@H]2C1 977156364 NSDHOQHGDBQQKT-PUHVVEEASA-N 314.345 -0.268 30 20 DBED C=CCN1C[C@H](NC(=O)c2cn(CC(N)=O)nn2)C(C)(C)C1 977623795 WQWNBPJKXSWLHM-NSHDSACASA-N 306.370 -0.610 30 20 DBED CC#CCN1C[C@H]2[C@H](CNC(=O)c3nccnc3C(N)=O)[C@H]2C1 979054262 HLQNGRRXKKMVJS-CNDDSTCGSA-N 313.361 -0.494 30 20 DBED C=CCN[C@@H]1CCC[C@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)C1 981365687 VDJQNCZRZBWZRB-MNOVXSKESA-N 322.365 -0.390 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)C3(C(N)=O)CC3)C[C@@H]2C1 986581762 LKJHIVIUYHZSQK-TUAOUCFPSA-N 318.377 -0.282 30 20 DBED C[C@H]1[C@H](NCC#N)CCN1C(=O)CN1C(=O)NC(=O)C1(C)C 987314346 CKQPKHFVCSYDQH-VHSXEESVSA-N 307.354 -0.581 30 20 DBED C[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)CC(N)=O 987652442 PNFCQWYVHYHJLX-KCJUWKMLSA-N 303.322 -0.519 30 20 DBED N#Cc1c[nH]c(C(=O)NC2CN(C(=O)[C@@H]3CC[C@H]3C(N)=O)C2)c1 990724097 UKNQWEHZVBQRHU-GHMZBOCLSA-N 315.333 -0.662 30 20 DBED O=C(N[C@@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1O)c1ccon1 991307585 QKJZRQPKMXDQJX-YPMHNXCESA-N 303.318 -0.220 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)Cc2ccn(C)n2)C1 991308554 ADVZHQCFBAAIKH-KGLIPLIRSA-N 318.377 -0.119 30 20 DBED N#CCN[C@@H]1CCCN(C(=O)[C@H]2CN3CC4CC3(CO2)C4)C1 999766133 QTTPZSBXKSQDBC-MYMJJRTCSA-N 304.394 -0.046 30 20 DBED Cc1cc(C)n(CC(=O)N2CCC[C@@H](NCC#N)C2)c(=O)n1 1000554262 QKQOZYARRZEJFT-CYBMUJFWSA-N 303.366 -0.036 30 20 DBED C=CCn1cc(C(=O)NCC2=CCN([C@H](C)C(N)=O)CC2)nn1 1001240289 BWAOCZZZVNFNHD-LLVKDONJSA-N 318.381 -0.300 30 20 DBED O=C(NC[C@H]1[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]12)[C@@H]1COCCO1 1008804405 AGSKFFRDGCXGFY-XQLPTFJDSA-N 318.373 -0.364 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)C1 1019367025 OHWRNFDCESBYNG-AXFHLTTASA-N 304.350 -0.672 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)c2cc(=O)n(C)o2)[C@@H]1C 1020535271 DZOMPQJYHRQGNV-GUBZILKMSA-N 306.322 -0.143 30 20 DBED CC(=O)N1CCO[C@H](C(=O)NC2C[C@@H]3CC[C@H](C2)N3CC#N)C1 1021450609 VEZNYDMGXOVXIP-DKUMPPAJSA-N 320.393 -0.131 30 20 DBED Cc1cc(C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2O)on1 1023037241 WDUFCWAFSXHEGI-VXGBXAGGSA-N 303.318 -0.302 30 20 DBED C=CCN[C@H]1C[C@@H](NC(=O)CN2CCS(=O)(=O)CC2)C1 1023081125 YUUSOQQEHWSINP-TXEJJXNPSA-N 301.412 -0.860 30 20 DBED O=C(C[C@H]1CCOC1)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1023260108 GXOVFBKHLAEBQQ-MGPQQGTHSA-N 306.362 -0.486 30 20 DBED C#CCN[C@@H]1CC[C@H]2CN(C(=O)C3CC(=O)NC(=O)C3)C[C@H]21 1026374698 INCWHABUFAMJMS-CYZMBNFOSA-N 303.362 -0.501 30 20 DBED C=C(C)CCN1CC(NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 1031041935 FHLCCQDXPRXNBF-UHFFFAOYSA-N 306.366 -0.536 30 20 DBED C=CCn1cc(C(=O)NC2CN([C@@H](C)c3nnnn3C)C2)nn1 1031070267 WAJHMFMXEBOSKY-VIFPVBQESA-N 317.357 -0.837 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)C[C@H]3CCC(=O)N3)C2)C1=O 1031094236 PZGHWSSVJCTJCK-YPMHNXCESA-N 320.393 -0.758 30 20 DBED CCn1nc(C(=O)NC[C@@H]2CN(CC#N)CCO2)ccc1=O 1035552703 ZFWWQHVDYCFLDZ-LLVKDONJSA-N 305.338 -0.783 30 20 DBED Cc1ccc(=O)n(CC(=O)N2CCC3(CC2)CN(CC#N)C3)n1 1035841165 ATHIJCBJTCCCCU-UHFFFAOYSA-N 315.377 0.000 30 20 DBED C=CCN[C@@H]1CCN(C(=O)CCn2ncn(C)c2=O)C[C@H]1C 1036115590 NRHVFNBSJQJVNG-CHWSQXEVSA-N 307.398 -0.016 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@]1(O)CCN(C(=O)CCOC)C1 1039580189 OSOICQXKUNZRFS-CABCVRRESA-N 314.382 -0.570 30 20 DBED CC(C)C#CC(=O)N1CC[C@@](O)(CNC(=O)c2ccnnc2)C1 1041019548 UNCMPCIEFXZVIL-MRXNPFEDSA-N 316.361 -0.171 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(O)(CNC(=O)c2cc(C)no2)C1 1041432813 KUCUSJPTXUORBA-AWEZNQCLSA-N 323.349 -0.387 30 20 DBED CC(C)COCCC(=O)NCC1(O)CN(C(=O)[C@@H](C)C#N)C1 1041637419 NFHHBBXGTNURGA-LBPRGKRZSA-N 311.382 -0.102 30 20 DBED Cc1ccc(=O)n(CC(=O)N2CC[C@]3(CCN(CC#N)C3)C2)n1 1041798501 XVOPDLWRJCGZSI-INIZCTEOSA-N 315.377 0.000 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)CC(=O)NCC)C1 1042675182 WGXKTMIYGHARDW-UHFFFAOYSA-N 309.366 -0.994 30 20 DBED CC#CCN1CC(N(C)C(=O)Cc2ccc(C(N)=O)nc2)C1 1043085498 HEDIKFFUDLOXQD-UHFFFAOYSA-N 300.362 -0.111 30 20 DBED C=CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)c2ncc[nH]2)C1 1043572790 YYYMYYAVNUVOEC-SNVBAGLBSA-N 308.338 -0.696 30 20 DBED N#Cc1nccc(N2C[C@H](O)[C@H](NC(=O)c3cncs3)C2)n1 1043872562 PLBJTSVMNBIBEP-BDAKNGLRSA-N 316.346 -0.216 30 20 DBED Cc1ccnc(N2C[C@H](O)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)n1 1043876520 CLONGJDNAUWWSR-OLZOCXBDSA-N 312.333 -0.036 30 20 DBED C[C@@H]1C[C@H](NCC#N)CCN1C(=O)CCn1cc[nH]c(=O)c1=O 1044777179 QSLYHGBANZCASK-VXGBXAGGSA-N 319.365 -0.581 30 20 DBED C=CCCCC(=O)N1CC(O)(CNC(=O)Cc2ncc[nH]2)C1 1045281344 FKOFUTAVQMJMOD-UHFFFAOYSA-N 306.366 -0.002 30 20 DBED C=C[C@](C)(CC)C(=O)N1CC(O)(CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 1046717656 NESVDAFTVDYQIV-JRPNMDOOSA-N 323.393 -0.600 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1C[C@H](CNC(=O)[C@H]2CCC(=O)N2)C1 1046749335 CMPBZAGBQHETDE-MPKXVKKWSA-N 313.361 -0.040 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2nnn(C(C)(C)C)n2)C1 1047388715 JMECAJCGFAQYAM-RYUDHWBXSA-N 320.397 -0.432 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C(C)(C)F)C1 1048011348 WWZOFYBNJJHNTO-WOPDTQHZSA-N 314.357 -0.197 30 20 DBED C=CCCC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CCNC2=O)C[C@@H]1O 1048540307 SLSLFPUCQPYQKJ-WOPDTQHZSA-N 309.366 -0.881 30 20 DBED C#CCCCC(=O)N(C)[C@H]1CN(C(=O)c2ncc[nH]2)C[C@@H]1O 1048750204 NKRSQBQDQDEZKF-RYUDHWBXSA-N 304.350 -0.143 30 20 DBED C[C@H](NC(=O)CNC(N)=O)[C@H]1CCN(C(=O)C#CC2CC2)C1 1050666963 UNVKDHRYYARGIL-JQWIXIFHSA-N 306.366 -0.579 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)[C@H]1CCc2nc(C)nn2C1 1051045925 ZWVLOSOVKZRFBJ-KBPBESRZSA-N 317.393 -0.401 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)[C@@H]1CCCc2nn[nH]c21 1051086155 JONLGGQKEHSYPL-NWDGAFQWSA-N 303.366 -0.325 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)CO[C@@H]1CCOC1)CCO2 1053254913 VQHRUPHSRRRSQS-CQSZACIVSA-N 308.378 -0.272 30 20 DBED CCCn1cc(C(=O)N[C@@H]2COC3(C2)CN(CC#N)C3)nn1 1053969245 JCCDYUAXFCHIJG-NSHDSACASA-N 304.354 -0.215 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)c3ccc(C(N)=O)nc3)CO2)C1 1054023544 BQDYXPQILILFAG-NSHDSACASA-N 315.333 -0.723 30 20 DBED O=C(C#CC1CC1)N[C@@]1(CO)CCCN(C(=O)c2cnon2)C1 1055939220 UQSHPHGVSYSURN-HNNXBMFYSA-N 318.333 -0.434 30 20 DBED Cc1cc(C(=O)N2CCC[C@](CO)(NC(=O)[C@@H](C)C#N)C2)n[nH]1 1056095013 ZYTZYJXRWPOUEN-BONVTDFDSA-N 319.365 -0.039 30 20 DBED Cc1cc(C#N)nc(N2C[C@@H]3C(NC(=O)c4cnon4)[C@H]3C2)n1 1056274885 CHFCRILKHBOFJO-UWVGGRQHSA-N 311.305 -0.096 30 20 DBED N#Cc1sc(N2C[C@@H]3C(NC(=O)C(N)=O)[C@H]3C2)nc1Cl 1056381664 ASEPVWYMJDVPHA-WHFBIAKZSA-N 311.754 -0.296 30 20 DBED C=C[C@](C)(O)CC(=O)NCCN(CCO)C(=O)[C@@H]1CCOC1 1057145394 AUTBUMMXOIVUIU-DOMZBBRYSA-N 314.382 -0.713 30 20 DBED C=CCO[C@H](C)C(=O)NCCN(CCO)C(=O)CCOCC 1057185481 OAQUCDNJGZPGTN-CYBMUJFWSA-N 316.398 -0.059 30 20 DBED C=C[C@](C)(O)CC(=O)N(CCO)CCNC(=O)Cc1ccc[nH]1 1057451530 NHXITGDZUBZHHS-INIZCTEOSA-N 323.393 -0.179 30 20 DBED C=CCn1cc(C(=O)N(CCO)CCNC(=O)C2(C)CC2)nn1 1057625540 GGPCWZCWTDGWAE-UHFFFAOYSA-N 321.381 -0.185 30 20 DBED Cn1ncc(C(=O)NC2CCN(c3ccc(C#N)nn3)CC2)n1 1057883974 HHMWHYBKJWSBDC-UHFFFAOYSA-N 312.337 -0.124 30 20 DBED Cc1nsc(N2CC[C@@H](NC(=O)[C@@H]3CNC(=O)N3)C2)c1C#N 1058531462 QAMYUGPKVIRULA-SCZZXKLOSA-N 320.378 -0.301 30 20 DBED Cc1cc(C#N)nc(N2CC[C@H](NC(=O)[C@H]3CNC(=O)N3)C2)n1 1058531573 STYCAXVIPTYJLU-GXSJLCMTSA-N 315.337 -0.967 30 20 DBED N#Cc1cnc(N2CC[C@@H](NC(=O)c3c[nH]c(=O)cn3)C2)cn1 1058533050 SHCKERSPZGWWNR-SECBINFHSA-N 311.305 -0.560 30 20 DBED N#Cc1nccc(N2CCC[C@H]2CNC(=O)[C@H]2C[C@H]2C(N)=O)n1 1061445563 USDDHMKDCPIZEO-AXFHLTTASA-N 314.349 -0.445 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1COCCN1C(=O)Cn1nccn1 1061566243 ITACJAKNKYYJIW-CYBMUJFWSA-N 319.365 -0.719 30 20 DBED N#Cc1nccc(N2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2COC(=O)N2)n1 1062481665 VGYHRTPSJIJHOY-LPEHRKFASA-N 314.305 -0.754 30 20 DBED CC(=O)N1CC(C(=O)NCC2(NC(=O)[C@H](C)C#N)CCC2)C1 1062855624 KPUWALYFCVSKRY-SNVBAGLBSA-N 306.366 -0.221 30 20 DBED CN(C(=O)[C@@H]1CCNC1=O)[C@@H]1CCN(c2ccc(C#N)nn2)C1 1063004926 RYJMJCDRRKAUFW-VXGBXAGGSA-N 314.349 -0.479 30 20 DBED C#CCOCCC(=O)NCC1(NC(=O)Cn2cncn2)CCC1 1063040134 IHZLIFVOOFKQSZ-UHFFFAOYSA-N 319.365 -0.527 30 20 DBED Cc1cc(CC(=O)N2CCO[C@@H](CNC(=O)[C@H](C)C#N)C2)n[nH]1 1065034102 GJLCHJSGUUBATA-MFKMUULPSA-N 319.365 -0.236 30 20 DBED C#CCCCC(=O)N1CCO[C@H](CNC(=O)[C@H]2COC(=O)N2)C1 1065093215 SJNNQJOJNDRTCX-VXGBXAGGSA-N 323.349 -0.758 30 20 DBED C#CCCCC(=O)N1CCO[C@@H](CNC(=O)CC(=O)NC)C1 1065093641 ZEPUQFJUBSBUMD-LBPRGKRZSA-N 309.366 -0.730 30 20 DBED CC(C)C#CC(=O)N1CCO[C@H](CNC(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1065126393 PFWVRELKDIZQKI-NYTXWWLZSA-N 320.389 -0.118 30 20 DBED C=C(C)C[C@@H](C)C(=O)N1CCO[C@@H](CNC(=O)CC(N)=O)C1 1065490753 HCTHCSORSWQQLW-NEPJUHHUSA-N 311.382 -0.192 30 20 DBED COC(=O)NCC(=O)N[C@@H]1CCCN(C(=O)[C@@H](C)C#N)CC1 1065917863 IQIWMQRMMCNUBX-WDEREUQCSA-N 310.354 -0.001 30 20 DBED Cc1nn[nH]c1C(=O)N1C[C@@H]2CN(c3cnc(C#N)cn3)C[C@@H]2C1 1066050625 HLGWNRGTWDRNDN-PHIMTYICSA-N 324.348 -0.017 30 20 DBED N#Cc1nccc(N2CCOC[C@H]2CNC(=O)c2cn[nH]c2)n1 1066465115 BLOZICREHAEIRO-LLVKDONJSA-N 313.321 -0.293 30 20 DBED N#Cc1nc(=NC[C@H]2CN(C(=O)[C@H]3CCCO3)CCO2)cc[nH]1 1066587251 WFFXZLUYRCKPGH-NWDGAFQWSA-N 317.349 -0.412 30 20 DBED N#Cc1nc(=NC[C@@H]2CN(C(=O)c3cnon3)CCO2)cc[nH]1 1066640355 TVWXWPPTJRPSPP-SECBINFHSA-N 315.293 -0.894 30 20 DBED C[C@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1Nc1ccc(C#N)cn1 1067148962 KKJWCVMRYXIQIW-JQWIXIFHSA-N 312.337 -0.101 30 20 DBED N#Cc1cncc(N2C[C@@H](O)[C@H](CNC(=O)c3ccon3)C2)n1 1067654129 SVGYZRSPNUDQTG-BXKDBHETSA-N 314.305 -0.437 30 20 DBED N#Cc1cccnc1N1CCO[C@]2(CCN(C(=O)C(N)=O)C2)C1 1068083675 JPGDGGKJBJRQOM-OAHLLOKOSA-N 315.333 -0.754 30 20 DBED C=CCCC(=O)N[C@@H]1COC2(C1)CN(C(=O)[C@@H]1CCNC1=O)C2 1068751212 MJJAZOBCGAFYFA-NWDGAFQWSA-N 321.377 -0.425 30 20 DBED CC(=O)NCC(=O)N1CC2(C[C@@H](NC(=O)C#CC(C)C)CO2)C1 1068849156 IAJMECVEQNIKKS-CYBMUJFWSA-N 321.377 -0.732 30 20 DBED C#CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2cnon2)C1 1070058468 FJKJEECHAQQPHZ-NEPJUHHUSA-N 301.310 -0.660 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCCN(C(=O)CC(=O)NCC)C1 1070642632 OXLFIWURWJVSBK-CYBMUJFWSA-N 323.393 -0.340 30 20 DBED C=CCN1C[C@H]2C[C@H]3CN(C(=O)CS(C)(=O)=O)C[C@@]3(C1)O2 1070766708 GWZIEQLRPGZEOT-OUCADQQQSA-N 314.407 -0.481 30 20 DBED C=CCN1C[C@H]2C[C@H]3CN(C(=O)[C@@H]4CCC(=O)N4)C[C@@]3(C1)O2 1070882591 XBTNUUWOUDICIY-RSUWNVLCSA-N 305.378 -0.247 30 20 DBED N#CCN1CCNC(=O)CCN(C(=O)c2ccncn2)CC1 1071009117 AUPGDIQMEUHPLR-UHFFFAOYSA-N 302.338 -0.736 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)c2nonc2C)CC1 1071025705 SGGLWWXVMTVFJH-UHFFFAOYSA-N 307.354 -0.172 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CCC(=O)N2)C1 1071044647 DKIDQQAKEGKFRW-BFQNTYOBSA-N 323.393 -0.301 30 20 DBED C=CCN1CCN([C@@H]2CCCN(C(=O)CC(N)=O)C2)C(=O)C1 1071258215 ANQWJPDEJCPVGQ-GFCCVEGCSA-N 308.382 -0.817 30 20 DBED C#CCCCC(=O)N1C[C@H](C)[C@H](NC(=O)Cn2ncnn2)C1 1071991541 KDGYFCQRIWZMIJ-NWDGAFQWSA-N 304.354 -0.560 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1C 1072165518 OYPKBUWVUOKLPT-NWDGAFQWSA-N 304.354 -0.704 30 20 DBED C#CCCN1CCC2(C1)CN(C(=O)[C@H]1CN(C(C)=O)CCO1)C2 1073158117 MVOWVLFKMCZSRC-OAHLLOKOSA-N 319.405 -0.209 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)c3[nH]c(O)nc3C)C[C@@H]21 1074270129 CAHVPWPISCLPDQ-NWDGAFQWSA-N 304.350 -0.028 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CCN(C(=O)C(F)F)CC1 1074393528 DQCVEUCLKSJPPX-JTQLQIEISA-N 318.320 -0.241 30 20 DBED C#CCCCC(=O)N1CCC(O)(CNC(=O)CC(N)=O)CC1 1074565580 MRORTYUEIUJLHQ-UHFFFAOYSA-N 309.366 -0.865 30 20 DBED Cc1nn[nH]c1C(=O)NCC1(O)CCN(C(=O)[C@H](C)C#N)CC1 1074707367 YWHWOIJWZWICBG-SECBINFHSA-N 320.353 -0.644 30 20 DBED C=CCN[C@H]1CCN(C(=O)[C@@H]2CCN(C)S2(=O)=O)[C@H]1C 1074962295 MUPMXKCGKKGQRY-SRVKXCTJSA-N 301.412 -0.215 30 20 DBED C#CCOCCC(=O)N[C@@H](C)CCNC(=O)Cc1nnc(C)o1 1076372525 ABLPCMNDGDGWDD-NSHDSACASA-N 322.365 -0.029 30 20 DBED C[C@@H](CCNC(=O)CCNC(N)=O)NC(=O)c1cc(C#N)c[nH]1 1076450317 VIKBHEYIWMDATK-VIFPVBQESA-N 320.353 -0.431 30 20 DBED C#CCOCCC(=O)NCC[C@H](C)NC(=O)C[C@H]1COC(=O)C1 1076504098 MGIJTSNHUJJUOT-QWHCGFSZSA-N 324.377 -0.010 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 1077434582 VEYLXNZXGKFMCS-YNEHKIRRSA-N 319.365 -0.897 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)c2cnn3ccc(C)nc23)C1 1078022073 RJJWVSRCGHQUKM-CHWSQXEVSA-N 301.350 -0.001 30 20 DBED C[C@@H](CCNC(=O)CCc1cnn(C)n1)NC(=O)[C@@H](C)C#N 1078495626 ASOPRKVTRKMXIC-QWRGUYRKSA-N 306.370 -0.082 30 20 DBED C=CCOCC(=O)N1CC(N(CC)C(=O)C[C@@H]2CCNC2=O)C1 1079897239 SENYTAZJDSCZHQ-LBPRGKRZSA-N 323.393 -0.226 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2nc(C)c[nH]2)C[C@H]1O 1081346273 GGRRSBOPOCOTSV-VXGBXAGGSA-N 322.365 -0.530 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(C(=O)Cn2ccnc2)C[C@@H]1O 1081473559 HZMGELXMASPXKP-KGLIPLIRSA-N 316.361 -0.768 30 20 DBED C=C(Cl)CN[C@@H]1CN(C(=O)C[C@@H]2NC(=O)NC2=O)C[C@H]1C 1082567168 MNTJAPVYPLINHH-FKTZTGRPSA-N 314.773 -0.227 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cn2c(n1)COCC2 1083120893 KDODRLPWJFZGMK-UONOGXRCSA-N 316.361 -0.428 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CCC(=O)N1C 1083172931 JRSTZUFSHCTDLA-HZSPNIEDSA-N 305.378 -0.458 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H](C)N1CCCCC1=O 1083282823 VELFAZRPTGQZFI-SOUVJXGZSA-N 319.405 -0.068 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCCS(=O)(=O)C2)C1 1083829609 WWYCQIJCROUTFR-XQQFMLRXSA-N 316.423 -0.451 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2cc3n(n2)CCO3)[C@H](O)C1 1090326302 HVKJDLWOEVJDRP-DGCLKSJQSA-N 304.350 -0.536 30 20 DBED C=CCN1CC[C@H](NC(=O)c2ccnn2CCOC)[C@H](O)C1 1090348777 FRXFTORAOHBWNJ-GXTWGEPZSA-N 308.382 -0.120 30 20 DBED CCCN(C)CC(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1O 1090464646 MCBYNLIFIFOVAA-HUUCEWRRSA-N 317.393 -0.039 30 20 DBED C=CCCN1CC[C@H](NC(=O)CN2CCC(=O)NC2=O)[C@H](O)C1 1090710440 VCDHJKOEYCFSRV-NWDGAFQWSA-N 324.381 -0.944 30 20 DBED CC#CCN1CC[C@@H](NC(=O)C2CCN(C(N)=O)CC2)[C@@H](O)C1 1090793786 IAAUMAAZQNYULO-KGLIPLIRSA-N 322.409 -0.648 30 20 DBED C=CCN1CC[C@H](NC(=O)c2cncc(C(N)=O)c2)[C@@H](O)C1 1090822548 BGYKZDMHLKFVHV-STQMWFEESA-N 304.350 -0.469 30 20 DBED CN(C)CCC(=O)N[C@@H]1CCN(c2ncccc2C#N)C[C@H]1O 1092173282 KJGFQJHZKKJZKG-ZIAGYGMSSA-N 317.393 -0.039 30 20 DBED C=CCN1CC2(C[C@H](NC(=O)[C@H]3CNC(=O)N3)c3nccn32)C1 1092391303 SLWWKQFXZVPNNH-WDEREUQCSA-N 316.365 -0.678 30 20 DBED C#CCCCC(=O)NC1[C@H]2CN(c3ccc4nnnn4n3)C[C@H]12 1093257910 GMAGNWSJWMNSNA-QWRGUYRKSA-N 311.349 -0.126 30 20 DBED CC(C)(C(N)=O)C(=O)N1CCC(OC2CN(CC#N)C2)CC1 1093543001 GOBAMPKGNHVKCY-UHFFFAOYSA-N 308.382 -0.287 30 20 DBED N#Cc1cnc(NCCNC(=O)CN2CC(=O)NC2=O)c(F)c1 1093787970 PJPZHHLYDNUSGM-UHFFFAOYSA-N 320.284 -0.828 30 20 DBED Cn1cnn(CC(=O)NCCNc2cccc(F)c2C#N)c1=O 1093963389 KTMJLDNDJOTSBR-UHFFFAOYSA-N 318.312 -0.179 30 20 DBED N#Cc1cnc(NCCNC(=O)CCN2C(=O)CCC2=O)cn1 1093975996 NEBMZXWYRPURTJ-UHFFFAOYSA-N 316.321 -0.585 30 20 DBED CO[C@H](C(=O)NCCN=c1cc[nH]cc1C#N)[C@@H]1CCOC1 1094011297 DKCMLFRGEHWZJM-RISCZKNCSA-N 304.350 -0.045 30 20 DBED N#Cc1c[nH]ccc1=NCCNC(=O)[C@H]1CN2CCC[C@H]2CO1 1094203004 JJLLFNWERGLGQX-DZGCQCFKSA-N 315.377 -0.234 30 20 DBED Cc1cc(=NCCCNC(=O)[C@H](C)NC(N)=O)c(C#N)c[nH]1 1094379525 PRMYGGXLOMJNHY-JTQLQIEISA-N 304.354 -0.341 30 20 DBED CC(F)(F)C(=O)N1CCN(CC#N)[C@H]2CS(=O)(=O)C[C@H]21 1094598020 COSHAEHDTPUKKJ-DTWKUNHWSA-N 307.322 -0.525 30 20 DBED N#Cc1nc(=NCCCNC(=O)C[C@@H]2CCNC2=O)cc[nH]1 1094617981 XHSCDNPDXKBTPN-JTQLQIEISA-N 302.338 -0.785 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CCN(c2ncnc3c2nnn3C)C1 1096338039 HZLJEKZTBDLHHK-RKDXNWHRSA-N 300.326 -0.387 30 20 DBED C[C@@H](CNC(=O)c1ccc(=O)n(C)n1)Nc1nccnc1C#N 1097851524 UPDZHHWXLDVLQK-VIFPVBQESA-N 313.321 -0.328 30 20 DBED C[C@H](CNC(=O)[C@@H](C)CS(C)(=O)=O)N=c1cc[nH]cc1C#N 1097895853 FTZIPBRRGAIQDR-WDEREUQCSA-N 324.406 -0.028 30 20 DBED CCc1nc(C#N)cc(N[C@@H](C)CNC(=O)CNC(=O)NC)n1 1098338840 MMHYNOAMWIRAOY-VIFPVBQESA-N 319.369 -0.244 30 20 DBED N#Cc1ccc(CN2CC[C@H](NC(=O)CC(N)=O)[C@H](O)C2)s1 1099758419 SKOIYIDUUQGJHX-NWDGAFQWSA-N 322.390 -0.453 30 20 DBED C#CCCCC(=O)N[C@H]1CCN(Cc2nnnn2C)C[C@@H]1O 1099806456 BBZSNRDGEZIMAC-RYUDHWBXSA-N 306.370 -0.935 30 20 DBED C#CCCCC(=O)N[C@@H]1CCN(Cc2cnnn2C)C[C@H]1O 1099807417 PNBSLKMMAGTNMW-ZIAGYGMSSA-N 305.382 -0.330 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)CC(C)(C)O)[C@@H](O)C1 1099810809 TZVRZGMELODDIJ-STQMWFEESA-N 300.399 -0.099 30 20 DBED C#CCCCCCC(=O)N[C@H]1CCN(CC(=O)NC)C[C@@H]1O 1099957618 UFPBPTDVFXVFKF-KBPBESRZSA-N 309.410 -0.133 30 20 DBED CC#CCCCC(=O)N[C@@H]1CCN(Cc2nnnn2C)C[C@H]1O 1099960167 PCQVOCOLFHKTOS-CHWSQXEVSA-N 320.397 -0.545 30 20 DBED C=CC(C)(C)C(=O)N[C@H]1CCN(CCN2CCNC2=O)C[C@@H]1O 1099960686 XLVWBWGZUPQEGR-STQMWFEESA-N 324.425 -0.225 30 20 DBED C#CCNC(=O)CC(=O)NCCN(CC)c1nccc(OC)n1 1100492967 XFANWSOPUFAYRN-UHFFFAOYSA-N 319.365 -0.433 30 20 DBED CCN(CCNC(=O)C1(C(N)=O)CC1)c1nc(C)cc(C#N)n1 1100698805 MKVRWRUKEOFCHU-UHFFFAOYSA-N 316.365 -0.135 30 20 DBED C=CCOCC(=O)N1C[C@H]2CN(Cc3nnnn3C)C[C@@]2(C)C1 1101174042 BSFVSTAURZEKGF-DOMZBBRYSA-N 320.397 -0.307 30 20 DBED CN(C(=O)CS(C)(=O)=O)[C@@H]1CCN(c2nccnc2C#N)C1 1102684448 XVLWXVYYEGGFCS-SNVBAGLBSA-N 323.378 -0.570 30 20 DBED C[C@H](CNC(=O)[C@@H]1CNC(=O)N1)CNc1ccc(C#N)cn1 1104183640 MKWRABANUAMZPJ-ONGXEEELSA-N 302.338 -0.201 30 20 DBED C[C@H](CNc1cnc(C#N)cn1)N(C)C(=O)[C@@H]1COC(=O)N1 1104546074 XHIIBXIHYLXPIR-SCZZXKLOSA-N 304.310 -0.285 30 20 DBED C=CCNCc1cn(C2CN(C(=O)c3nnn(C)c3C)C2)nn1 1105199888 MRLRVFAZUJZYGW-UHFFFAOYSA-N 316.369 -0.312 30 20 DBED CC(C)[C@H](C(=O)N1CC(n2cc(CNCC#N)nn2)C1)N(C)C 1105320966 RIKQVYBEHAHAKO-CQSZACIVSA-N 319.413 -0.139 30 20 DBED Cc1cc(C#N)nc(N(C)CCN(C)C(=O)c2cn(C)nn2)n1 1105383703 AYTHJALOIMBUAQ-UHFFFAOYSA-N 314.353 -0.006 30 20 DBED CN(CCN(C)c1ccc(C#N)nn1)C(=O)[C@@H]1CCC(=O)N1 1105440436 WDVUHKKUIFSLSK-NSHDSACASA-N 302.338 -0.479 30 20 DBED CN(CCN(C)c1cncc(C#N)n1)C(=O)[C@@]1(C)CCNC1=O 1105557218 AQRUAUXTKWIMPC-HNNXBMFYSA-N 316.365 -0.231 30 20 DBED CCc1nc(C#N)cc(NC[C@H](O)CNC(=O)c2cn[nH]c2)n1 1105718437 MLTLASDEGOANCU-NSHDSACASA-N 315.337 -0.163 30 20 DBED Cc1c(C(=O)NC[C@H](O)CN=c2cc[nH]c(C#N)n2)cnn1C 1105749604 BRCWIBWTCLWORN-SNVBAGLBSA-N 315.337 -0.985 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNc1ncnc2c1ncn2C 1105774017 OYRDJNLQPITNPZ-BDAKNGLRSA-N 303.326 -0.588 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)CC2OCCCO2)nc1 1105810076 NEDVGQIGSZMYEW-LBPRGKRZSA-N 320.349 -0.005 30 20 DBED Cc1nc[nH]c1C(=O)NC[C@@H](O)CNc1nccnc1C#N 1105887946 JWKSEJCOIOGFGV-VIFPVBQESA-N 301.310 -0.417 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H](O)CN=c1cc(C)[nH]cc1C#N 1105970320 FIXBHZSVBFHQJI-OCCSQVGLSA-N 316.361 -0.389 30 20 DBED N#Cc1nccnc1NC[C@H](O)CNC(=O)Cc1cncs1 1105993027 DNSRYNUVYYWINL-SECBINFHSA-N 318.362 -0.064 30 20 DBED CN(C)CCCC(=O)NC[C@H](O)CNc1cncc(C#N)n1 1106075812 LCRLYZAYMBSPTJ-GFCCVEGCSA-N 306.370 -0.421 30 20 DBED CC#CCN1CCO[C@](C)(CNC(=O)[C@H]2CN(C)CCO2)C1 1107839651 RORGVJXRJDLCJE-GDBMZVCRSA-N 309.410 -0.453 30 20 DBED Cn1nccc1COCC(=O)NC[C@]1(C)CN(CC#N)CCO1 1108018206 CCWGANYJHOIXKS-OAHLLOKOSA-N 321.381 -0.333 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)CCCCOC)CC2=O)C1 1108521664 HISNIOHFTPUTAP-ZDUSSCGKSA-N 307.394 -0.162 30 20 DBED CNC(=O)NCC(=O)N[C@H](C)CN(C)c1nccnc1C#N 1109287052 CBGOOHUWASYWHB-SECBINFHSA-N 305.342 -0.782 30 20 DBED C[C@@H](CC(N)=O)C(=O)N[C@@H](CN=c1cc[nH]c(C#N)n1)C1CC1 1109946566 WBNYHCGQLUIXHC-ONGXEEELSA-N 316.365 -0.412 30 20 DBED C[C@]1(NC(=O)Cn2ncnn2)CCN(c2ncccc2C#N)C1 1110785550 AHPRKWFPENVVQD-AWEZNQCLSA-N 312.337 -0.275 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1COCCN1c1ccc2nnnn2n1 1111662959 KVXMJTYZOBXXEV-ZJUUUORDSA-N 316.325 -1.000 30 20 DBED CN(CCCN(C)c1ccnc(C#N)n1)C(=O)c1nnn(C)n1 1112156158 BVHCTVHVFLLWGA-UHFFFAOYSA-N 315.341 -0.530 30 20 DBED C[C@@H]1CN(c2cncc(C#N)n2)CC[C@H]1NC(=O)CNC(N)=O 1112392456 HATGFLKQMHRNDH-MWLCHTKSSA-N 317.353 -0.652 30 20 DBED CCCOCC(=O)NC[C@@H]1CN(c2nccnc2C#N)C[C@@H]1O 1112710750 ZUSFCLHXHYTCHN-YPMHNXCESA-N 319.365 -0.312 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(c2ncc(F)cn2)C[C@H]1O 1112721135 VNYCKZGJPWJLFH-DGCLKSJQSA-N 304.325 -0.058 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN(CC(=O)NCC#N)CC1 1113420894 GMLUOPICULOBOM-ZFWWWQNUSA-N 320.393 -0.248 30 20 DBED C[C@H](CNC(=O)[C@@H]1CCN(C)C1=O)N(C)c1nccnc1C#N 1113826724 LDPKUEQGBSWIKC-MNOVXSKESA-N 316.365 -0.233 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3oc(C)nc3C)[C@H]2C1 1114093155 KADXTGFROKLFHM-IMRBUKKESA-N 316.361 -0.299 30 20 DBED C#CCC1(C(=O)NC2[C@@H]3CN(CC(=O)NC)C[C@@H]23)CCOCC1 1114389241 PGEQERUAAJPGRX-CHWSQXEVSA-N 319.405 -0.401 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)c3ncccn3)[C@@H]2C1 1114998840 WZLDLMJKLMMQKB-GHMZBOCLSA-N 301.350 -0.561 30 20 DBED CO[C@@H](C)C(=O)NCCOCCN(C)c1cncc(C#N)n1 1115183580 RIHMRYDFDQJATP-NSHDSACASA-N 307.354 -0.048 30 20 DBED C#CCCN1C[C@@H]2C(NC(=O)CNC(=O)c3ccccn3)[C@H]2C1 1115282345 MYOXHUVEGITJSN-STQMWFEESA-N 312.373 -0.119 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)CCCOC(C)C)[C@@H]2C1 1115345597 INPXBJFHWPQOKQ-ZIAGYGMSSA-N 321.421 -0.013 30 20 DBED CS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](C#N)C2)C1 1120446794 QRLDSTLKKOOJPO-WDEREUQCSA-N 313.379 -0.606 30 20 DBED N#Cc1nc(=N[C@@H](CO)CNC(=O)COC2CCCC2)cc[nH]1 1121086106 KNUILDHSVITGJD-LLVKDONJSA-N 319.365 -0.382 30 20 DBED Cc1nnc(CC(=O)NC[C@H](CO)Nc2cnc(C#N)cn2)o1 1121432727 PEFSTQLLNFINEM-SNVBAGLBSA-N 317.309 -0.829 30 20 DBED Cc1[nH]nc(C(=O)NC[C@@H](CO)Nc2ncccc2C#N)c1O 1121453313 BQLANNIYUWAKJA-JTQLQIEISA-N 316.321 -0.107 30 20 DBED CO[C@@H](C(=O)NC[C@@H](CO)Nc1nccnc1C#N)C1CC1 1121504305 CYLFWFAMUXTSLT-CMPLNLGQSA-N 305.338 -0.338 30 20 DBED N#CCNC1CC2(C1)CC(NC(=O)CC[C@@H]1NC(=O)NC1=O)C2 1122161674 GGZYHCIOIRNQMU-RUIJOYPPSA-N 319.365 -0.485 30 20 DBED N#Cc1cccnc1N[C@@H](CO)CNC(=O)c1c[nH]c(=O)cn1 1122515427 YESPIHHCWGAMFC-SNVBAGLBSA-N 314.305 -0.761 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]cc1C#N)C(=O)c1cnns1 1124091092 PBLDSCARXJSIDM-SNVBAGLBSA-N 318.362 -0.228 30 20 DBED CCOCC(=O)N(C)C[C@H](O)CN(C)c1cncc(C#N)n1 1124952866 XVBHBHRCCHHMJB-GFCCVEGCSA-N 307.354 -0.360 30 20 DBED C[C@H](C#N)C(=O)N(C)C[C@H](O)CN(C)c1nccnc1C#N 1124987512 AXUIVBXHRWJNOC-GHMZBOCLSA-N 302.338 -0.237 30 20 DBED CN(C[C@H](O)CN(C)c1cncc(C#N)n1)C(=O)c1cn[nH]c1 1125030083 OWBIRKIGCMMCCI-GFCCVEGCSA-N 315.337 -0.359 30 20 DBED CC[C@@H](C)n1nccc1C(=O)NCCNCC(=O)NCC#N 1128444163 MCHUQYKXIRFULE-LLVKDONJSA-N 306.370 -0.187 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@H](n2ccnn2)[C@H](NCCOC)C1 1129829444 HWXBKPQTZIWLGY-MJBXVCDLSA-N 321.381 -0.696 30 20 DBED C#CCCN[C@@H]1CN(C(=O)[C@@]2(F)CCOC2)C[C@@H]1n1ccnn1 1129978263 XUWWHZFEAUUJHX-VNHYZAJKSA-N 321.356 -0.229 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@H](C)N(C)CC(F)(F)F 1132791446 ZTVFOVRJKWCQSM-JTQLQIEISA-N 322.331 -0.676 30 20 DBED C[C@H](C[C@@H](C)NC(=O)CSCC#N)NCC(=O)NCC#N 1133735357 CSZVXHNURWWBGB-GHMZBOCLSA-N 311.411 -0.244 30 20 DBED C[C@@H](C[C@@H](C)NCC(=O)NCC#N)NC(=O)c1nccnc1N 1133953381 IFAPMUXDTSZGCD-ZJUUUORDSA-N 319.369 -0.815 30 20 DBED C[C@@H](C[C@@H](C)NCC(=O)NCC#N)NC(=O)c1csnn1 1135100800 GHHQLWLJFKJQDK-BDAKNGLRSA-N 310.383 -0.336 30 20 DBED C=C(C)CCN[C@H](C)C[C@H](C)NC(=O)CNS(=O)(=O)NC 1135119946 QWLUPIRSLMGMKO-NEPJUHHUSA-N 320.459 -0.121 30 20 DBED C=CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)c1[nH]nnc1C 1135161279 LNFVXNPRECRAED-ZJUUUORDSA-N 308.386 -0.098 30 20 DBED C#CCN[C@H](C)C[C@@H](C)NC(=O)Cn1nc2n(c1=O)CCCC2 1135879164 DYEWIYZDRDDIEX-CHWSQXEVSA-N 319.409 -0.113 30 20 DBED COCC#CCN1CCCO[C@@H](CNC(=O)Cn2cccn2)C1 1149159967 OAYOZDVZBIWZDF-HNNXBMFYSA-N 320.393 -0.260 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)[C@@H]2CCN(C(C)=O)C2)C1=O 1149317849 PTJHQLJKRYQNNK-ZIAGYGMSSA-N 322.409 -0.653 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)C(=O)NCC(F)F)C1 1149930164 IGEFZVNVRMRSLY-JTQLQIEISA-N 303.309 -0.792 30 20 DBED CCN(CC#CCOC)[C@H](C)CNC(=O)CCS(C)(=O)=O 1154042614 VTGVFMMFTZKINH-CYBMUJFWSA-N 318.439 -0.103 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)c2cnccn2)C1=O 1154256802 GEQIWRLSWIIITD-LBPRGKRZSA-N 303.366 -0.027 30 20 DBED Cc1c(CC(=O)NCCCNCC(=O)NCC#N)cnn1C 1159588477 KNWMRPPNISFHEX-UHFFFAOYSA-N 306.370 -0.993 30 20 DBED N#CCNC(=O)CNCCCNC(=O)CCc1cccnc1 1161931747 QKEKPZZAYRVFBU-UHFFFAOYSA-N 303.366 -0.250 30 20 DBED C#CCN1CCC(CNC(=O)[C@@H]2CCC(=O)NC2)(COC)CC1 1162343313 JPBJCBQAVWGRIJ-CQSZACIVSA-N 321.421 -0.009 30 20 DBED C=CCOCC(=O)NCCC1(CNCC(=O)NC(N)=O)CC1 1163790955 HXXLRFWXECSLDT-UHFFFAOYSA-N 312.370 -0.740 30 20 DBED C=CCNC(=O)NC(=O)CNCCCNC(=O)[C@@H](F)CC 1164022940 WGRSIZAJRFNUFP-JTQLQIEISA-N 302.350 -0.158 30 20 DBED C#CCNC(=O)CNCC1(CCNC(=O)c2n[nH]cc2F)CC1 1167080530 POLUWGPCRRIQFI-UHFFFAOYSA-N 321.356 -0.212 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)c1ccn(CC)n1 1167651089 ZEKDIEFIJRNFAZ-LBPRGKRZSA-N 305.382 -0.250 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@@H]1CCC[C@H]2CCCN21 1168030384 NVHZCMTVHCTIBJ-GJZGRUSLSA-N 320.437 -0.151 30 20 DBED C=CCNC(=O)CNCCCNC(=O)c1cc(C(N)=O)cs1 1177060273 YIGWQZDMFAAUAE-UHFFFAOYSA-N 324.406 -0.141 30 20 DBED C=C(Cl)CN[C@H]1CCN(C(=O)CS(=O)(=O)NC)[C@H]1C 1180157068 UKFNRDZNEDZSOI-UWVGGRQHSA-N 309.819 -0.133 30 20 DBED CN1CCC[C@@H]1C(=O)N1CC[C@H]2CN(CC(=O)NCC#N)C[C@H]21 1187326071 ISJAWGWJTJWTKQ-BFHYXJOUSA-N 319.409 -0.747 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@@H]1CCN(C(=O)c2cnn(C)c2)C1 1188814988 YITVBXOLIRMPQW-GXTWGEPZSA-N 317.393 -0.296 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](N(C)CC(=O)NCC#N)C1 1190120062 FOCLKZDZDNYIIC-CYBMUJFWSA-N 306.366 -0.801 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](N(C)Cc2nc(=O)n(C)[nH]2)C1 1190121860 UDECXWXLWHKFDI-GFCCVEGCSA-N 321.381 -0.819 30 20 DBED COCC#CCN(C)[C@@H]1CCN(C(=O)C[C@@H](C)NC(N)=O)C1 1190155988 PIPHOBAUBOYWSX-CHWSQXEVSA-N 310.398 -0.384 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C[C@H]2C=CCC2)C1 1190904964 NRMPBEIYKHQCDP-BFHYXJOUSA-N 305.378 -0.747 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(CC(=O)N[C@@H](C)CC)C[C@H]1O 1191770588 FYBIRBQGUAUVHK-YNEHKIRRSA-N 313.398 -0.735 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2ccc(C#C)cn2)C1 1193543619 VZHBEDUXAUJGIM-HNNXBMFYSA-N 324.384 -0.041 30 20 DBED C#CCNC(=O)[C@H](C)N1CCCN(C(=O)[C@@H](C)NC(C)=O)CC1 1194738716 BNUZQCWWYXKBBK-OLZOCXBDSA-N 322.409 -0.817 30 20 DBED C[C@H](C#N)C(=O)N1CCCN(CC(=O)NC(=O)NC2CC2)CC1 1195314408 MPBBSTJIKLCTQO-LLVKDONJSA-N 321.381 -0.331 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)OCc2ccncc2)C1 1196298877 DOKOSSDBBCYBGB-BPLDGKMQSA-N 303.362 -0.219 30 20 DBED C#CCCN1CCCN(C(=O)[C@H](CCC(N)=O)NC(C)=O)CC1 1197461152 NLMMGYTYBRTCSJ-AWEZNQCLSA-N 322.409 -0.686 30 20 DBED COc1ccccc1[C@H](CNC(=O)[C@H]1CNC(=O)N1)NCC#N 1198875500 BFGSCGLYDDEULH-NWDGAFQWSA-N 317.349 -0.353 30 20 DBED C#CCNC[C@@H]1CN(C(=O)[C@@H]2CCNC(=O)CC2)CCCO1 1201081316 UZXLIRKDXXZSDR-UONOGXRCSA-N 307.394 -0.257 30 20 DBED N#CCNC[C@H]1CN(C(=O)c2cc(C(N)=O)c[nH]2)CCCO1 1201718889 DZRPPWVPPXROPV-NSHDSACASA-N 305.338 -0.542 30 20 DBED C=CCOCC(=O)N[C@@H]1C[C@@H](NCC(=O)NCC#N)C12CCC2 1202635017 VYMJCGHHYLRABH-CHWSQXEVSA-N 320.393 -0.154 30 20 DBED C#CCCCC(=O)N1CCC[C@H](NCc2nc(=O)n(C)[nH]2)C1 1207944083 IHTYPHIWCUVKFP-LBPRGKRZSA-N 305.382 -0.008 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)[C@H](OC)C2CCC2)[C@H](C)C1 1208220100 NHPKZTXJFSXWRY-XNRPHZJLSA-N 321.421 -0.013 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)c2nc(C)c[nH]2)[C@H](C)C1 1209309441 NPGUMGQENZAIDU-RAIGVLPGSA-N 317.393 -0.094 30 20 DBED COCC#CCN1C[C@@H](NC(=O)C2CCOCC2)[C@H](OC)C1 1211759666 RTGOQNUKPFTJLM-HUUCEWRRSA-N 310.394 -0.122 30 20 DBED CC#CCN[C@@H]1CN(C(=O)[C@@H]2CCN(C)S2(=O)=O)C[C@H]1C 1215864868 APMDCOUQQKWHOC-UPJWGTAASA-N 313.423 -0.520 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H](C)OC 1217409104 SWRKUZWPGHKXJD-RWMBFGLXSA-N 311.382 -0.765 30 20 DBED C#CCO[C@H](C)C(=O)N1CCO[C@@H]2CN(Cc3cnon3)C[C@@H]21 1217876662 QSLJGAKPQWMSHK-KWCYVHTRSA-N 320.349 -0.481 30 20 DBED COCC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cnco1 1218387989 DMVJZOYVYKJMCT-GXTWGEPZSA-N 305.334 -0.150 30 20 DBED C=CCCOCC(=O)N1CCO[C@@H]2CN([C@@H](C)C(N)=O)C[C@@H]21 1219060589 QVBCFFIBBMYIPC-RWMBFGLXSA-N 311.382 -0.636 30 20 DBED C=CCN1CC[C@H](N2C[C@H](O)[C@H](NC(=O)/C=C/C3CC3)C2)C1=O 1219430886 RKIRNYAUBHFFOK-TXUBFAOLSA-N 319.405 -0.099 30 20 DBED C[C@@]1(C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@@H]2O)C[C@@H]2C[C@@H]2C1 1220052079 RNFLZYLRANMYQW-CRQFQMBKSA-N 320.393 -0.776 30 20 DBED C#CCCCCCC(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@@H]1O 1220144671 JYFPHJBBXRIHAQ-KGLIPLIRSA-N 320.393 -0.629 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C[C@@H](C=C)CC)C1 1220203419 GCXCYJLJONWXEP-MJBXVCDLSA-N 307.394 -0.501 30 20 DBED C[C@@H](C(=O)N[C@@H]1CN(CC#N)C[C@@H]1O)N(C)CC(F)(F)F 1220210741 AFFLWZHMQMWZHA-AEJSXWLSSA-N 308.304 -0.446 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)C2(C(=O)N(C)C(C)C)CC2)C1 1220646547 CCUZIJWOKZUILH-OLZOCXBDSA-N 309.410 -0.019 30 20 DBED N#CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3cccnc3)[C@@H]2C1 1221227001 DQEAPQSZQSCGEJ-ZIAGYGMSSA-N 313.361 -0.132 30 20 DBED CN(CC(=O)N[C@@H]1CCCC[C@H]1NCC#N)S(C)(=O)=O 1226579721 MEBQZJTXCDDIKZ-GHMZBOCLSA-N 302.400 -0.582 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)[C@@H]2CCN(C)[C@@H]2C)CC1 1227444350 QJJUFFXIZFFFHF-UKRRQHHQSA-N 320.437 -0.343 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC(NC(=O)Cc2cnoc2)CC1 1228818553 CRPKYEHAYHPEKW-GFCCVEGCSA-N 318.377 -0.064 30 20 DBED C=CCN1CC[C@H]1CN(C)C(=O)Cn1ccc(=O)n(C)c1=O 1235007617 QJDQPTYZLANFCQ-LBPRGKRZSA-N 306.366 -0.734 30 20 DBED N#CC1(NC(=O)CCn2cc[nH]c(=O)c2=O)CCSCC1 1319593532 PDIODJPWSVWAIJ-UHFFFAOYSA-N 308.363 -0.168 30 20 DBED C=CCN(C(=O)C(=O)NC[C@H]1CC[C@H](C(=O)N(C)C)O1)C1CC1 1324403979 NJPQQUSICISNBY-CHWSQXEVSA-N 323.393 -0.085 30 20 DBED CC[C@@H](C)N1CCN(C(=O)C(=O)N2CCO[C@@H](C#N)C2)CC1 1324889448 GTVBKCWXYHSRTJ-OLZOCXBDSA-N 308.382 -0.320 30 20 DBED C=CC[C@@H](NS(=O)(=O)c1cnn2c1OCCC2)C(=O)O 1326330776 PPJPVRAGVXXLLR-MRVPVSSYSA-N 301.324 -0.027 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2Cc3cncnc3C2)C1=O 1326806074 PTMAKLXFTRGPIE-UHFFFAOYSA-N 315.289 -0.704 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N(CC)[C@H](C)CS(C)(=O)=O 1327260452 ZXQZKNSFJRIWQY-GHMZBOCLSA-N 320.411 -0.415 30 20 DBED Cn1c(N)nc(Cl)c1C=Nn1cnc2c(cnn2C)c1=O 1330310492 JFENCUZESIEYGW-UHFFFAOYSA-N 306.717 -0.019 30 20 DBED C[C@H](C#N)CN(C)C(=O)C(=O)N1CC[C@H]2NC(=O)CC[C@@H]2C1 1330475276 TUVWIWHPGVXSBV-IJLUTSLNSA-N 306.366 -0.268 30 20 DBED C=CCOCCNC(=O)C(=O)N[C@H](C)CO[C@@H]1CCOC1 1330760985 MQDSSXNRMXJDPU-VXGBXAGGSA-N 300.355 -0.385 30 20 DBED C=CCN(CCOC)c1nnnn1CCS(=O)(=O)C1CC1 1335924417 JUSSYEVJBLHQEG-UHFFFAOYSA-N 315.399 -0.111 30 20 DBED CN1C(=O)[C@@H]2CN(c3nnc([C@H]4C[C@H]4C#N)n3C)C[C@@H]2C1=O 1339700945 PKDSKSVSPHQDAQ-AATLWQCWSA-N 300.322 -0.507 30 20 DBED CN(C)CCOC1CCN(C(=O)NCC(=O)NCC#N)CC1 1342599428 GARAAULBNXLXEP-UHFFFAOYSA-N 311.386 -0.622 30 20 DBED C#CC1CCN(C(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)CC1 1349213614 WTUDEDXIFFLWTD-GJZGRUSLSA-N 319.405 -0.162 30 20 DBED N#Cc1cc(CNC(=O)[C@H]2CCCN(S(N)(=O)=O)C2)ccn1 1362422494 WEYSNFHTDCXAJA-NSHDSACASA-N 323.378 -0.515 30 20 DBED CNC(=O)c1nn[nH]c1NC(=O)N(CCC#N)CCCN(C)C 1365525875 GEOACGJGZFSWDY-UHFFFAOYSA-N 322.373 -0.136 30 20 DBED Cn1cc(C#N)c(NC(=O)N[C@H]2CCc3nnnn3CC2)n1 1365768609 PTFHFIRFRYWNTD-VIFPVBQESA-N 301.314 -0.195 30 20 DBED N#Cc1cccc(CNC[C@H](O)CNC(=O)Cn2cncn2)c1 1367634952 ZDLJVVOSZKXPSF-AWEZNQCLSA-N 314.349 -0.583 30 20 DBED C[C@H](C#N)C(=O)N(C)CCN1CCN(C(=O)[C@H](C)C#N)CC1 1374448137 UKSCCHFOGWPERB-CHWSQXEVSA-N 305.382 -0.092 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)[C@@H]2CCCC(=O)N2C)CC1 1379084430 YKCDWROTRUPDKW-MNOVXSKESA-N 306.366 -0.078 30 20 DBED CC(=O)N(C)CC(=O)N[C@H]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 1385910999 RQUKKDDXTNMBEC-HAQNSBGRSA-N 317.349 -0.258 30 20 DBED C[C@H](C#N)C(=O)N(C)CCN(C)C(=O)[C@@H]1CCCCN1C(N)=O 1391879603 BSQJRFVGOCZJJS-NEPJUHHUSA-N 323.397 -0.004 30 20 DBED CC(C)c1cc(C(=O)NC[C@H](O)CNC(=O)[C@@H](C)C#N)n[nH]1 1392157476 HNFNIYQDEHHOMN-VHSXEESVSA-N 307.354 -0.100 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)CCc2cnccn2)C1 1396444439 UDQQMHGSIAHHSZ-UHTWSYAYSA-N 317.349 -0.743 30 20 DBED C[C@H](CN(C)C(=O)c1ccc2nnnn2c1)NC(=O)[C@H](C)C#N 1412617980 OQBNYRLASWYOBZ-NXEZZACHSA-N 315.337 -0.139 30 20 DBED C[C@H](C#N)C(=O)NCCN1CCN(Cc2cnsn2)CC1 1417915021 CLUASECRJKKSOY-LLVKDONJSA-N 308.411 -0.068 30 20 DBED C=C(Cl)CNC[C@@H](O)CNC(=O)c1cc2n(n1)CCO2 1422307405 AEFVNSVDYHAXSP-SECBINFHSA-N 300.746 -0.292 30 20 DBED CCO[C@@H](C)C(=O)N1CCN(CCNC(=O)[C@H](C)C#N)CC1 1427704672 SZKWJWSYUGUGSD-OLZOCXBDSA-N 310.398 -0.169 30 20 DBED CC(=O)N[C@H](C)C(=O)N1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 1429457817 PWPMCQCSGLLHSQ-SNVBAGLBSA-N 317.349 -0.305 30 20 DBED C[C@H](C#N)C(=O)N1CCN(CCNC(=O)Cc2ncc[nH]2)CC1 1429793135 ANRGLAREXLABIS-GFCCVEGCSA-N 318.381 -0.628 30 20 DBED CS(=O)(=O)C1(C(=O)N2CC(O)(CC#N)C2)CCOCC1 1433920502 ZHVBQSJBJHGADH-UHFFFAOYSA-N 302.352 -0.933 30 20 DBED Cn1c(=O)[nH]c(NCCc2cn3c(n2)SCC3)c(C#N)c1=O 1434446629 OJMBBNRUVGNTRJ-UHFFFAOYSA-N 318.362 -0.098 30 20 DBED CC(=O)N(C)CC(=O)NC[C@@H](O)CNCc1ccccc1C#N 1438973142 KTMDRLCANWUAIZ-HNNXBMFYSA-N 318.377 -0.397 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](CNC(=O)CN1CCOCC1)C1CC1 1447144245 RPSNTZJOCMUIGY-WCQYABFASA-N 308.382 -0.511 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C(=O)COCc2nncn2C)CC1 1453517643 GGFQVNXCGGLVDN-NSHDSACASA-N 320.353 -0.838 30 20 DBED CC[C@H](CNC(=O)c1cnnn1C)NC(=O)c1ccc(C#N)[nH]1 1456780868 JXNNIOVOMZAMBJ-SECBINFHSA-N 315.337 -0.047 30 20 DBED CN(C)CC(C)(C)CNC(=O)Cn1cc(C#N)c(O)nc1=O 1457462540 GUWDJOPQYJNYPQ-UHFFFAOYSA-N 307.354 -0.475 30 20 DBED CS[C@@H](C)C(=O)NC[C@H](O)CNC(=O)c1ccc(C#N)[nH]1 1457909181 DUXLWZXLIQKAPE-WPRPVWTQSA-N 310.379 -0.155 30 20 DBED CNC(=O)NCCC(=O)NC[C@H]1CCCN(C(=O)[C@@H](C)C#N)C1 1494279766 OSXLOAGUYHUDBJ-NWDGAFQWSA-N 323.397 -0.180 30 20 DBED C[C@@H](C#N)C(=O)NCC1CN(C(=O)CCn2ccccc2=O)C1 1498677455 JZVOELDMFJMTRH-LBPRGKRZSA-N 316.361 -0.027 30 20 DBED C#CCNC[C@@H]1CCCCN1C(=O)CCn1cc[nH]c(=O)c1=O 1505409607 GWXNQPBXWJERGV-ZDUSSCGKSA-N 318.377 -0.469 30 20 DBED CCS(=O)(=O)CC(=O)N[C@]1(C)CCN(C(=O)[C@@H](C)C#N)C1 1506455641 JCVRQQONQBHDDR-GXFFZTMASA-N 315.395 -0.312 30 20 DBED C[C@H](C#N)C(=O)N(C)CC(C)(C)CNC(=O)[C@@H]1COC(=O)N1 1508689787 JXLOITDKWNRYEY-ZJUUUORDSA-N 310.354 -0.145 30 20 DBED N#CCN1CCC(CNC(=O)[C@@]23CNC[C@@H]2CCOC3)CC1 1580052529 PJGDPCGEJFKXHT-GOEBONIOSA-N 306.410 -0.036 30 20 DBED C#CCN1CCN(C(=O)CN2CCC[C@@]2(COC)C(=O)O)CC1 1588477649 XNKYIUZCVXDLKR-MRXNPFEDSA-N 323.393 -0.671 30 20 DBED C=CC[C@@H](C(=O)O)N(CC)CC(=O)N[C@@H]1CCS(=O)(=O)C1 1588729691 SZEUUZFPIBEZQE-MNOVXSKESA-N 318.395 -0.359 30 20 DBED C[C@](O)(CNS(=O)(=O)c1ccc(F)cc1C#N)C(=O)O 1589147970 LDHZQBFFOZZKIZ-NSHDSACASA-N 302.283 -0.189 30 20 DBED CS(=O)(=O)CCNN=Cc1nc(-c2nn[nH]n2)cs1 1591675265 JBDRTNPQWAMNHV-UHFFFAOYSA-N 301.357 -0.709 30 20 DBED N#CCNC1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 1592678943 ZNCAYXZWPMTPKG-UHFFFAOYSA-N 300.326 -0.087 30 20 DBED CC[C@H](C)[C@H](NC(=O)Cn1c(=O)c(C#N)cn(C)c1=O)C(=O)O 1594908812 KOBAACGGHKAUMO-KWQFWETISA-N 322.321 -0.966 30 20 DBED CO[C@]1(C(=O)O)CCN(C(=O)C(=O)Nc2cccc(C#N)n2)C1 1599071068 ZQKZVDVSWKVVIQ-CQSZACIVSA-N 318.289 -0.406 30 20 DBED CS(=O)(=O)C1(C(=O)N(CC#N)CCC(=O)O)CCOCC1 1599744393 VZBDLHBILZFRRR-UHFFFAOYSA-N 318.351 -0.593 30 20 DBED N#CCC(=O)N1CCN(S(=O)(=O)C2(C(=O)O)CCC2)CC1 1601060913 OQIFUKBTZGJLKB-UHFFFAOYSA-N 315.351 -0.619 30 20 DBED N#Cc1ccc([C@H](C(=O)O)N2C[C@@H](C(N)=O)[C@H](C(N)=O)C2)cc1 1601093874 CFKBJRIWSHFWMF-IJLUTSLNSA-N 316.317 -0.797 30 20 DBED CN1CCC(C#N)(NC(=O)c2cccn(CC(=O)O)c2=O)CC1 1604203264 QKIXMFUMGJRUBZ-UHFFFAOYSA-N 318.333 -0.349 30 20 DBED C#CCOCCC(=O)N1CC[C@H](N[C@@H]2CCCN(C)C2=O)C1 1714324081 CYSUSESFBZAIOC-UONOGXRCSA-N 307.394 -0.162 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1C[C@@H](NC(=O)c2cn(C)c(O)n2)C1 1752757508 DPLHADMZSWFDBD-MXWKQRLJSA-N 319.365 -0.886 30 20 DBED C#CCN1CC[C@H](N(CCC)C(=O)CN2CCNC(=O)C2)C1 1753318020 ALCHPHPRTCFWPN-AWEZNQCLSA-N 306.410 -0.636 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)CNC(=O)CC)C[C@H]1C 1753771390 YUGJUQXNMCRFCS-CHWSQXEVSA-N 324.425 -0.359 30 20 DBED CCN(CCNCC(=O)NCC#N)C(=O)[C@H]1CCOC[C@@H]1C 1754066054 WOGZIABQFNPWIC-STQMWFEESA-N 310.398 -0.263 30 20 DBED CC(C)(C)NS(=O)(=O)CC(=O)NC/C=C/CNCC#N 1754208561 ODMCRAZECIBBJW-SNAWJCMRSA-N 302.400 -0.510 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@@H](C)NC(=O)c1ncccc1O 1754222579 DOMJMGHHIRDVGC-GHMZBOCLSA-N 304.350 -0.367 30 20 DBED CC#CCNC[C@H](NC(=O)COCc1nncn1C)C1CC1 1754454376 FQXKSNWYBAWZMO-ZDUSSCGKSA-N 305.382 -0.161 30 20 DBED C=CCNC(=O)CN1CC(O)(CNC(=O)CCC(F)(F)F)C1 1754766090 DWUUAQZGJZGCKD-UHFFFAOYSA-N 323.315 -0.206 30 20 DBED C=CCCCN1CC(O)(CNC(=O)c2cc(C(N)=O)c[nH]2)C1 1754777251 LUOONKYDBWUZNG-UHFFFAOYSA-N 306.366 -0.144 30 20 DBED C=CCC[C@H](C)N1CCC[C@@](CO)(NC(=O)Cn2ncnn2)C1 1754856792 RJPCLOXXSJCTKE-DZGCQCFKSA-N 322.413 -0.029 30 20 DBED C=CCN1CCC[C@@](CO)(NC(=O)CCCS(C)(=O)=O)C1 1754858947 MGCIRLALTPWCCC-CQSZACIVSA-N 318.439 -0.060 30 20 DBED C#CCNC[C@H]1CN(C(=O)C2CCS(=O)(=O)CC2)CCO1 1755009581 NQRMBRUJOCODEA-ZDUSSCGKSA-N 314.407 -0.739 30 20 DBED CC#CCN1CCN([C@H]2CCN(C(=O)CNC(=O)NC)C2)CC1 1755020178 ZLWXJCVTQADAIX-AWEZNQCLSA-N 321.425 -0.843 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)Cc2cc[nH]n2)C[C@@H]1C 1755168964 IZRVJDMFERZHIG-QWHCGFSZSA-N 317.393 -0.329 30 20 DBED CC#CCN1CCC(CO)(NC(=O)Cc2nnc(C)o2)CC1 1755177337 MCALUZRBIWTWOQ-UHFFFAOYSA-N 306.366 -0.113 30 20 DBED C#CCN1CC(CCO)(NC(=O)c2c(OC)ccnc2OC)C1 1755333676 IMIRUYDBFVWERT-UHFFFAOYSA-N 319.361 -0.101 30 20 DBED C#CCNC(=O)CNC[C@H]1C[C@H](NC(=O)c2csnn2)C1 1755475788 KLQUGMCQZYTEDH-MGCOHNPYSA-N 307.379 -0.615 30 20 DBED C#CCCN[C@H]1C[C@H](C)N(C(=O)CCCN2C(=O)CNC2=O)C1 1755687914 DYDNSBLDCGXHDE-STQMWFEESA-N 320.393 -0.079 30 20 DBED C#CCNC(=O)CN1CCC[C@H](NC(=O)Cc2cnc[nH]2)[C@H]1C 1755724173 UHCBHSSHLAJMOO-OCCSQVGLSA-N 317.393 -0.329 30 20 DBED CC(C)[C@H](C)NC(=O)CNC[C@H](O)CN(C)C(=O)C#CC1CC1 1755777444 JZTSYVPHBFDOSJ-ZFWWWQNUSA-N 323.437 -0.031 30 20 DBED CNC(=O)C1(C(=O)N(CCNC(=O)[C@@H](C)C#N)CCOC)CC1 1756729477 RAGMFTXJVVUZQI-NSHDSACASA-N 324.381 -0.737 30 20 DBED C=CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1nc[nH]n1)CCO2 1783912889 DRIWIQDCVHVZIT-CQSZACIVSA-N 305.338 -0.176 30 20 DBED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)no3)[C@H]2C1 1788976226 HJIATVBCESCGNT-NHCYSSNCSA-N 319.317 -0.393 30 20 DBED C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cn1ccncc1=O)C2 1801601206 BBZZHERJAFQKMM-CLLJXQQHSA-N 314.345 -0.485 30 20 DBED N#CCC(=O)N1CCC(N2CCC(NC(=O)CN)CC2)CC1 1834667164 MLTNMJUYZCICES-UHFFFAOYSA-N 307.398 -0.570 30 20 DBED C[C@H](S)C(=O)N1CCCC12CN(C(=O)[C@@H]1CNC(=O)O1)C2 1846366330 IMJKHYDKJWAAAZ-IUCAKERBSA-N 313.379 -0.384 30 20 DBED COC(=O)NCC(=O)N1CCCC12CN(C(=O)C#CC1CC1)C2 1846510604 DFHWVHLFPOEUKM-UHFFFAOYSA-N 319.361 -0.041 30 20 DBED C/N=C(/NCC(=O)NC1CC1)N1CCN(C[C@H]2CCOC2)CC1 261828460 VDBMDLCSJVEYCB-CYBMUJFWSA-N 323.441 -0.506 30 20 DBED C#CCSCCNC(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 269991592 UDIFSKOERAVHKR-NSHDSACASA-N 319.452 -0.067 30 20 DBED CCOC(=O)CO/N=C(/C(=O)N[C@H](C)CCO)c1cc[nH]n1 278488185 JSYATSDKVIMNQY-OTIXUJTRSA-N 312.326 -0.419 30 20 DBED C[C@H](CS(C)(=O)=O)NS(=O)(=O)c1cncc(C#N)c1 289541686 SZNSEQIXEPRGRZ-MRVPVSSYSA-N 303.365 -0.335 30 20 DBED Cn1ncc(CCCNS(=O)(=O)c2ccc(C#N)nc2)n1 292880872 UDJDTXAMZMVFNF-UHFFFAOYSA-N 306.351 -0.007 30 20 DBED N#Cc1ncccc1S(=O)(=O)N1CC[C@H](N2CCNCC2)C1 318839909 GLGWVINCSQTWHO-LBPRGKRZSA-N 321.406 -0.379 30 20 DBED C[C@@H](C/N=C(/O)Cn1ccc(O)nc1=O)CN1CCOCC1 329455631 PVNWOUBWMACBQX-NSHDSACASA-N 310.354 -0.126 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H]1CCc2ncnn2C1 330396949 SCKZZAZLPUAVNU-MNOVXSKESA-N 312.399 -0.091 30 20 DBED COCCN1CCN(C(=O)Cc2noc(C)c2C#N)CC1=O 330768642 SRIYSGBBZGYBTP-UHFFFAOYSA-N 306.322 -0.286 30 20 DBED CN1CCN(CCCN(C)S(=O)(=O)N(C)CCC#N)CC1 330845342 UQEQUSZGZRSQIQ-UHFFFAOYSA-N 317.459 -0.354 30 20 DBED COC(=O)[C@@H](CC(C)C)NS(=O)(=O)N1CCO[C@@H](C#N)C1 336928104 YQESDQVKRDMADB-WDEREUQCSA-N 319.383 -0.367 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@H]1CCCS1(=O)=O 336938306 HMSJXCISIGUHKA-GHMZBOCLSA-N 323.440 -0.120 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N1C[C@@H](CO)OC[C@H]1C 336953825 WXKGCPHRPMMRCT-UTUOFQBUSA-N 305.400 -0.206 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@H](O)[C@H]1CCOC1 337084535 CQVMIWMQHIEDTF-WOPDTQHZSA-N 305.400 -0.300 30 20 DBED C[C@H](O)C[C@H]1COCCN1S(=O)(=O)N(C)[C@@H](C)CC#N 337846034 WYGZPHARQZNKDS-SRVKXCTJSA-N 305.400 -0.063 30 20 DBED C=CCn1c(O)nnc1S(=O)(=O)[C@H](C)C(=O)NC1CC1 341336724 ULQNXMUMAYGJBQ-SSDOTTSWSA-N 300.340 -0.390 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCCN(C)[C@@H]2C)C1=O 343459067 WIPDJTUWHWKBFU-MNOVXSKESA-N 322.365 -0.438 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)c2cc(OC)n(C)n2)CC1 355222949 PFVPMVBMOPUICF-UHFFFAOYSA-N 321.381 -0.511 30 20 DBED CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)NCC(=O)c1ccc(C#N)cc1 356167571 RVSZHSNXZMZVBV-UONOGXRCSA-N 315.329 -0.161 30 20 DBED CN(C)C(=O)[C@H]1CCC[C@@H](NC(=O)NCC(=O)NCC#N)C1 358275812 NTOPPSMBNCZPHA-WDEREUQCSA-N 309.370 -0.428 30 20 DBED CC(C)n1cc(C#N)c(NC(=O)C(=O)N(C)[C@H]2CCOC2)n1 359235478 AZCWRHGUGCMRRM-NSHDSACASA-N 305.338 0.521 30 20 DBED CO[C@](C)(CNS(=O)(=O)N1CCO[C@@H](C#N)C1)C1CC1 360255277 ZDPYABYZKYIRKX-NWDGAFQWSA-N 303.384 -0.140 30 20 DBED C[C@H](C#N)S(=O)(=O)N1CCCC[C@@H]1C(=O)N1CCOCC1 416392891 VUOXWKAABNVQAC-VXGBXAGGSA-N 315.395 -0.058 30 20 DBED C=CCn1cc(CNC(=O)Nc2ccn(CCN(C)C)n2)nn1 425661113 ZTEPPONCTGWMGG-UHFFFAOYSA-N 318.385 0.544 30 20 DBED C=CC[C@@H](CO)CNC(=O)C(=O)Nc1ccn([C@@H](C)COC)n1 426957705 UVTPUBGNTAVMNJ-NWDGAFQWSA-N 324.381 0.330 30 20 DBED COCCO[C@@H]1C[C@@H](CO)CN(S(=O)(=O)CCCC#N)C1 447848547 MASUDXAIRZBAMF-CHWSQXEVSA-N 320.411 -0.034 30 20 DBED C#CCNC(=O)CN1CCN([C@@H](C)C(=O)N(C)CCC#N)CC1 491125793 HDDUEWYZCPCPLU-AWEZNQCLSA-N 319.409 -0.886 30 20 DBED C#CCN(C)CCCNC(=O)c1ccc(=O)n(CCOC)n1 491666707 QODNZUFEIUPGJB-UHFFFAOYSA-N 306.366 -0.425 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@@H](C)Cc2cnc[nH]2)CC1 491724820 HAVMOLOLVGYYBB-ZDUSSCGKSA-N 317.393 -0.518 30 20 DBED C#CCNC(=O)CN1CCN(c2cc(C)nc(OC)n2)CC1 491730121 HGEGLPSMEDLNKR-UHFFFAOYSA-N 303.366 -0.335 30 20 DBED C#CCN1CCN(C(=O)CN2CCOC[C@@H]2[C@H]2CCCO2)CC1 491777925 XIKHIBLMRIJVKN-HZPDHXFCSA-N 321.421 -0.356 30 20 DBED N#C[C@]1(NC(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)CCOC1 547490388 JNNKVPJARDZMSS-LTNQRRLNSA-N 315.329 -0.408 30 20 DBED CCS(=O)(=O)C1CN(C(=O)Nc2ccn(CCC#N)n2)C1 566071222 SHSLYVOWZNEKNY-UHFFFAOYSA-N 311.367 0.448 30 20 DBED CC[C@H](CO)NC(=O)CNS(=O)(=O)c1cccc(C#N)c1 582196645 UUQZTXFRBYRMEQ-LLVKDONJSA-N 311.363 -0.276 30 20 DBED C=CCC(=O)N1CCN(C(=O)c2ccc3c(c2)COB3O)CC1 584985575 NWKHVWBPTHSFJV-UHFFFAOYSA-N 314.150 -0.235 30 20 DBED C=CCOC[C@@H](NC(=O)[C@@H]1CCCS1(=O)=O)C(=O)OC 594351219 KNGWIOGITHZXBF-ZJUUUORDSA-N 305.352 -0.576 30 20 DBED C=CCCCN(C)C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 595995671 WGPIPRYNOMGYAX-NWDGAFQWSA-N 308.382 -0.819 30 20 DBED N#CCNC(=O)CNC(=O)N[C@H]([C@@H]1CCCO1)C1(CO)CCC1 596599495 RAPOHWHXQVZIFN-WCQYABFASA-N 324.381 -0.364 30 20 DBED COC[C@](C)(C#N)NC(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1 599675131 OJGDGTZNSUVZIB-YGRLFVJLSA-N 305.338 -0.182 30 20 DBED COCCNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1F 610082384 SXYWSJCABMORKY-UHFFFAOYSA-N 315.326 -0.262 30 20 DBED CC(=O)NCC(=O)NCC(=O)N[C@H](C)c1cccc(C#N)c1 610361682 DXEUYDNSBYBRFE-SNVBAGLBSA-N 302.334 -0.012 30 20 DBED C=C[C@@H](O)C(=O)N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 613961648 JKHIXNOPNPQQBB-NWDGAFQWSA-N 320.411 -0.568 30 20 DBED C#CCNC(=O)C1CCN(C(=O)Nc2nccn(C)c2=O)CC1 757907106 OTTBIEAYBVJKDL-UHFFFAOYSA-N 317.349 -0.226 30 20 DBED C#CCNC(=S)NCCNS(=O)(=O)Cc1ccon1 758249235 ZAAJLJSGJWGZAR-UHFFFAOYSA-N 302.381 -0.809 30 20 DBED C#CCCCCNC(=O)CN1CCN(S(C)(=O)=O)CC1 759476534 XAFRCKMTOUMQGS-UHFFFAOYSA-N 301.412 -0.517 30 20 DBED C#CCNS(=O)(=O)N1CCN([C@@H](C)C(=O)OCCC)CC1 761029991 BVOMKUNUWRSYCW-LBPRGKRZSA-N 317.411 -0.587 30 20 DBED C#C[C@H](NC(=O)C(=O)NCCCn1ccnc1)[C@@H]1CCCO1 774460594 DQIXWIRBRXYLSL-STQMWFEESA-N 304.350 -0.314 30 20 DBED CC(C)(C#N)CS(=O)(=O)NC(=O)[C@@H]1CCCCS1(=O)=O 791866801 ORLKWPXXSSYRJC-VIFPVBQESA-N 322.408 -0.051 30 20 DBED C#CCNC(=O)N1CCN(S(=O)(=O)N(CC)CC)CC1 838536087 ZJERGOVCFOBALA-UHFFFAOYSA-N 302.400 -0.467 30 20 DBED CCOC(=O)c1cc(C=NNC(=S)NCC(=O)NC)[nH]n1 842527382 JFWJMMSAYSJYFH-UHFFFAOYSA-N 312.355 -0.870 30 20 DBED N#Cc1ccc(CS(=O)(=O)CC(=O)NC[C@H]2COCO2)cc1 861965513 JXIGOLVHQBOZJR-ZDUSSCGKSA-N 324.358 -0.038 30 20 DBED N#Cc1ccc(OC[C@H](O)CN2C[C@@H](CO)[C@@H](CO)C2)cc1 879692785 DCNQWXVZQMVQMJ-QLFBSQMISA-N 306.362 -0.169 30 20 DBED C#CCN1CCC[C@@H](NC(=O)N[C@@H]2CCc3nnnn3CC2)C1 889257095 JRQIHMWNKREPAZ-CHWSQXEVSA-N 317.397 -0.225 30 20 DBED C=CCNC(=O)CNC(=O)CN1CCC[C@@H](C(=O)OCC)C1 901346190 ZWYJBKCGWZEJHS-GFCCVEGCSA-N 311.382 -0.320 30 20 DBED CN1CCOC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)C#CC2CC2)C1 937347554 NKAPSAIKZCKTSS-CABCVRRESA-N 319.405 -0.210 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1cc(=O)n(C)cn1 937501866 OQRCELXONMGMBK-VWYCJHECSA-N 315.333 -0.635 30 20 DBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@H](N(C)C(=O)C(N)=O)C1 938587400 QSUJMPYKZYSJIS-AVGNSLFASA-N 323.393 -0.098 30 20 DBED C[C@@H](C#N)C(=O)N1CCCN(C(=O)[C@H]2CCNC(=O)C2)CC1 940734800 WSSFPVSSIHSMRX-RYUDHWBXSA-N 306.366 -0.267 30 20 DBED Cc1nnccc1C(=O)NC[C@H]1CN(C(=O)[C@H](C)C#N)CCO1 944691604 RKLGIJFFQKHLBR-PWSUYJOCSA-N 317.349 -0.098 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CNC(=O)[C@H]2C[C@H]2C(N)=O)CC1 949386863 DBRUMKFSAFWJTA-WCQGTBRESA-N 306.366 -0.378 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]1CNC(=O)c1cnc2[nH]nnc2c1 950599368 ADMULAIIJUTQCU-SCZZXKLOSA-N 313.321 -0.157 30 20 DBED CN1C[C@H](C(=O)N[C@H]2CCCN(C(=O)C#CC3CC3)C2)NC1=O 950761750 NEIWPLDOZAWOMP-QWHCGFSZSA-N 318.377 -0.469 30 20 DBED N#CCN1C[C@@H](O)[C@H](CNC(=O)C23CCCN(CCC2)C3)C1 958171792 MFASVHHKHBNRRH-ZIAGYGMSSA-N 306.410 -0.205 30 20 DBED C=CCCN1C[C@@H](O)[C@H](CNC(=O)c2cn(C)ccc2=O)C1 958249262 SRQDADYLHCWXLL-IUODEOHRSA-N 305.378 -0.016 30 20 DBED COc1ccnc(O)c1C(=O)NC[C@@H]1CN(CC#N)C[C@@H]1O 958593907 CUXFOAASVJLPEV-ZJUUUORDSA-N 306.322 -0.658 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CN(C(=O)[C@@]3(C)CCNC3=O)C[C@H]2C1 962261469 YRYLUMHIDZWNDJ-OVZMXSCWSA-N 318.377 -0.411 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCCO3)C[C@@H]2O)c[nH]1 962388294 WIQMERMYVMJYCL-FRRDWIJNSA-N 318.333 -0.633 30 20 DBED N#CCNC1CC2(C1)CC(NC(=O)C[C@@H]1CC(=O)NC1=O)C2 965954474 ATIFHXTUEMBATC-RURBXUPXSA-N 304.350 -0.420 30 20 DBED C[C@@H]1CCN(CC#N)C[C@H]1NC(=O)c1cnn2c(=O)cc[nH]c12 968399893 IPYIDJGZLZVJBQ-ZYHUDNBSSA-N 314.349 -0.014 30 20 DBED C#CCN1CC[C@@H](C)[C@H](NC(=O)c2nc(O)nc(O)c2OC)C1 968539233 MTVCWRDJJKOIOG-NXEZZACHSA-N 320.349 -0.030 30 20 DBED C#CCCN1CC([C@@H](C)NC(=O)[C@H]2COCCN2C(C)=O)C1 970902259 SKBJLFFKUOKEMH-IUODEOHRSA-N 307.394 -0.307 30 20 DBED CC#CCN1C[C@@H](NC(=O)c2cnc(O)n(C)c2=O)C(C)(C)C1 974923268 NIVCJKPFMHEESX-GFCCVEGCSA-N 318.377 -0.051 30 20 DBED C=C(C)CN[C@H]1C[C@H](C)N(C(=O)Cn2cnc(C(N)=O)n2)C1 988850864 APIXBQWCWMWEBH-QWRGUYRKSA-N 306.370 -0.468 30 20 DBED N#Cc1c[nH]c(C(=O)NC2CN(C(=O)c3cncnc3O)C2)c1 990715744 RCDMBPXHOMVBNM-UHFFFAOYSA-N 312.289 -0.364 30 20 DBED N#CCN[C@@H]1CCC[C@H]2CN(C(=O)Cn3c(O)nnc3O)C[C@H]21 992871759 KYQMZHTYPLKSII-HBNTYKKESA-N 320.353 -0.570 30 20 DBED CC#CCN1CCC[C@H](NC(=O)CN2CC(=O)N(C)C2=O)[C@H]1C 994214599 UXIZYEYJRLFMAK-OLZOCXBDSA-N 320.393 -0.127 30 20 DBED COCCN1C[C@@H](C(=O)NCC2=CCN(CC#N)CC2)CC1=O 1000749246 QSWINXARULXXBA-AWEZNQCLSA-N 320.393 -0.247 30 20 DBED CCCN1C[C@H](C(=O)NCC2CN(C(=O)[C@@H](C)C#N)C2)CC1=O 1001927042 GLAMCGLIEBYSLK-WCQYABFASA-N 320.393 -0.021 30 20 DBED C#Cc1ccc(C(=O)N2CC(CNC(=O)c3nc[nH]n3)C2)nc1 1003693149 UXPYISJFQONIEI-UHFFFAOYSA-N 310.317 -0.317 30 20 DBED C[C@@H](C#N)C(=O)N1CC([C@H](C)NC(=O)c2c[nH]c(C(N)=O)c2)C1 1006116283 HQYNXVPXJHHIOR-IUCAKERBSA-N 317.349 -0.150 30 20 DBED C#CCCN1CCC(N(C)C(=O)[C@H]2CCS(=O)(=O)N2)CC1 1006424776 FAIAHPCVEJFANW-CYBMUJFWSA-N 313.423 -0.376 30 20 DBED C=C(C)CN1CCC[C@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)C1 1008728541 SYLRDKQMHIDVIZ-NSHDSACASA-N 322.365 -0.436 30 20 DBED COCCn1cc(C(=O)N2CCN(C(=O)[C@@H](C)C#N)CC2)nn1 1011133691 LMUIGEYWXHUMAC-NSHDSACASA-N 320.353 -0.631 30 20 DBED C=CCCn1cc(C(=O)N[C@H]2CCN([C@H](CC)C(N)=O)C2)nn1 1015820472 HKOXQYUTAQWJRF-WCQYABFASA-N 320.397 -0.078 30 20 DBED CC(=O)N1CCO[C@@H](C(=O)N[C@@H]2CC23CCN(CC#N)CC3)C1 1016953701 VPONQBBJCXJJJJ-ZIAGYGMSSA-N 320.393 -0.272 30 20 DBED C[C@H]1CN(C(=O)C(N)=O)CC[C@H]1CNC(=O)c1ccc(C#N)[nH]1 1020796409 BLLMGJZTRWFFNM-UWVGGRQHSA-N 317.349 -0.414 30 20 DBED CC(C)[C@@H](O)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 1023428446 BFLDCJHBKVOHEJ-JHJVBQTASA-N 320.349 -0.795 30 20 DBED C=CCN1CC[C@H](NCC[C@@H]2CCCN(C(=O)C(N)=O)C2)C1=O 1034559275 OYDKEOVDTICHRK-STQMWFEESA-N 322.409 -0.523 30 20 DBED C[C@H](C(N)=O)N1CCO[C@@H](CNC(=O)c2c[nH]c(C#N)c2)C1 1035336618 LPVBXVJMEQAOAP-SKDRFNHKSA-N 305.338 -0.809 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)c2ccc3nn[nH]c3n2)C1 1035391235 MJIYZVYFNYXBNO-JTQLQIEISA-N 300.322 -0.583 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)c2ccnc3c2CC(=O)N3)C1 1035432840 AGWVNXIJTXESRC-NSHDSACASA-N 314.345 -0.360 30 20 DBED C=CCCN1CCO[C@H](CNC(=O)[C@@H]2CCS(=O)(=O)C2)C1 1035438770 MJYXOOFCCUFARG-CHWSQXEVSA-N 316.423 -0.186 30 20 DBED CC#CCN1CCO[C@H](CNC(=O)c2cc(C(N)=O)c[nH]2)C1 1035560201 QAOMACOATPZZPQ-GFCCVEGCSA-N 304.350 -0.433 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)c2cn([C@H]3CCOC3)nn2)C1 1035569852 ADSBNALGSLMRHW-STQMWFEESA-N 319.365 -0.697 30 20 DBED N#Cc1ccccc1CN1C[C@H]2C[C@H]1[C@H]2NC(=O)Cn1ncnn1 1037418540 DSJHNQUNBPDFBA-YCPHGPKFSA-N 323.360 -0.066 30 20 DBED CC#CCN1CC[C@@H]1CNC(=O)c1nc(O)nc(O)c1OC 1038921994 OENRUEBCESFVMB-SECBINFHSA-N 306.322 -0.276 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@]1(O)CCN(C(C)=O)C1 1039715101 JDRBRQOLQSUVJF-UKRRQHHQSA-N 311.382 -0.443 30 20 DBED Cc1cc(C#N)nc(N2C[C@@H](NC(=O)C(N)=O)CC[C@@H]2C)n1 1039801893 PHCKHUQFPXKSDB-UWVGGRQHSA-N 302.338 -0.385 30 20 DBED C#CCOCCC(=O)N1CC[C@](O)(CNC(=O)[C@H]2C[C@@H]2C)C1 1040577254 KYVWCADPYJEDHZ-XEZPLFJOSA-N 308.378 -0.238 30 20 DBED C[C@@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)Cc2cccnc2)C1 1040759617 BVVZODPABMWIRY-BLLLJJGKSA-N 316.361 -0.137 30 20 DBED Cc1cn(C)nc1C(=O)N1CC[C@@](O)(CNC(=O)[C@H](C)C#N)C1 1040764246 VDLINQNOHSSQKT-MEBBXXQBSA-N 319.365 -0.419 30 20 DBED Cc1conc1C(=O)NC[C@@]1(O)CCN(C(=O)[C@@H](C)C#N)C1 1040905595 ALZZWFWBKXWCOD-XPTSAGLGSA-N 306.322 -0.164 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)c2cc(CC)[nH]n2)C1 1041594513 RTRFUFNOJYNZIW-UHFFFAOYSA-N 322.365 -0.522 30 20 DBED Cc1cc(C#N)nc(N[C@H]2C[C@@H](NC(=O)C(N)=O)C23CCC3)n1 1041610893 LGUOFPPKRBFLKH-MNOVXSKESA-N 314.349 -0.019 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)c2cc(C)[nH]n2)C1 1041727485 WFDXUASASLSMJE-UHFFFAOYSA-N 308.338 -0.776 30 20 DBED CC#CCN1CC[C@]2(CCN(C(=O)CN3CC(=O)NC3=O)C2)C1 1041744190 YFSHFHCFIJSZKQ-INIZCTEOSA-N 318.377 -0.514 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)COCCC)C1 1041861340 GCOCDOLGXCZLBG-LBPRGKRZSA-N 312.366 -0.859 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)CCc2ncc[nH]2)C1 1042040622 WMLHEJGYAYBXAM-UHFFFAOYSA-N 322.365 -0.766 30 20 DBED C#CCN1CC[C@@H]2CCN(C(=O)Cn3ncn(C)c3=O)C[C@H]21 1042122112 MBAMNYABIYJKGQ-CHWSQXEVSA-N 303.366 -0.862 30 20 DBED CCn1ccnc1C(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1042820717 OLDIPJLFOFXYQH-UHFFFAOYSA-N 316.361 -0.381 30 20 DBED CCc1ocnc1C(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042958874 OLLZPKAHGZKCEX-UHFFFAOYSA-N 317.345 -0.047 30 20 DBED C[C@@H]1CN(C(=O)[C@@H]2CCNC2=O)C[C@H]1Nc1cncc(C#N)n1 1043428824 ALIAPGLRPKHBRV-YUSALJHKSA-N 314.349 -0.257 30 20 DBED CN1CCC(C(=O)NCC2(O)CN(C(=O)C#CC3CC3)C2)CC1 1043709530 YMXGBZWHNFHLLA-UHFFFAOYSA-N 319.405 -0.569 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)c2cccnn2)C1 1044460019 HMOCOYSOKOHZJT-UHFFFAOYSA-N 304.350 -0.008 30 20 DBED Cn1nccc1C(=O)N1CCN([C@@H]2CCN(CC#N)C2)CC1 1046010631 QHKHBISYJKUMSI-CYBMUJFWSA-N 302.382 -0.224 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cccc3ncnn23)C1 1047447044 VOVDTWMATSSQEY-KBPBESRZSA-N 313.361 -0.130 30 20 DBED C=CCCC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CCC(=O)N2)C[C@@H]1O 1048528163 VWTZUDCXNHEHSH-SRVKXCTJSA-N 309.366 -0.739 30 20 DBED C=CCOCC(=O)N(C)[C@H]1CN(C(=O)[C@@]23COC[C@@H]2C3)C[C@@H]1O 1048558792 WCQSUMGECSUOEY-QCQGSNGOSA-N 324.377 -0.744 30 20 DBED C#CCCCC(=O)N(C)[C@H]1CN(C(=O)CCCC(N)=O)C[C@@H]1O 1048757636 KPBZDSIEUGJQQG-STQMWFEESA-N 323.393 -0.524 30 20 DBED CC(=O)N1CCO[C@H](C(=O)N2CC3(CCN(CC#N)CC3)C2)C1 1050745831 NCAMGRRENXWQGH-AWEZNQCLSA-N 320.393 -0.318 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)[C@@H]1CCc2nccn2C1 1050988163 AZUVVHXAYOCGHP-KGLIPLIRSA-N 302.378 -0.104 30 20 DBED C#CCCN1CCN([C@H]2CCN(C(=O)[C@@H]3COCCO3)C2)CC1 1051990955 YRCSHVWPBLLPGK-HOTGVXAUSA-N 321.421 -0.356 30 20 DBED N#CCN1CCN([C@@H]2CCN(C(=O)C[C@@H]3CCC(=O)N3)C2)CC1 1052097003 RYPOAXVRXZMUDM-UONOGXRCSA-N 319.409 -0.603 30 20 DBED C#CCN1CC2(C1)CN(C(=O)[C@H]1CCCCN(C)C1=O)CCO2 1053506781 PZGRCABCSTZEIP-AWEZNQCLSA-N 319.405 -0.209 30 20 DBED C=CCN1CC2(C[C@@H](NC(=O)Cn3ccccc3=O)CO2)C1 1054004003 FCJOHGHPUFMSNU-CYBMUJFWSA-N 303.362 -0.006 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@](CO)(NC(=O)c2cnn(C)c2)C1 1055753865 BOULSQLUKSSQFU-NHYWBVRUSA-N 319.365 -0.337 30 20 DBED Cc1c(C(=O)NC2[C@H]3CN(c4cncc(C#N)n4)C[C@H]23)nnn1C 1056177006 ZIQCBZYMSTVXJH-QWRGUYRKSA-N 324.348 -0.350 30 20 DBED Cn1cnc(C(=O)N[C@H]2[C@@H]3CN(c4cncc(C#N)n4)C[C@@H]32)n1 1056202955 QJNNGHQZIJBXTJ-IAZYJMLFSA-N 310.321 -0.659 30 20 DBED CN1CC[C@@H](C(=O)N[C@H]2[C@@H]3CN(c4ccc(C#N)nn4)C[C@@H]32)C1 1056228012 NNJYFCOGUFSSGY-PBOSXPJTSA-N 312.377 -0.149 30 20 DBED CC(C)C#CC(=O)N1CCC[C@H]2CN(C(=O)CNC(N)=O)C[C@H]21 1056662513 VVTHKKLRRTUVBT-QWHCGFSZSA-N 320.393 -0.237 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)c1cn(CC=C)nn1 1057172845 UTGLMRGYOXORJE-UHFFFAOYSA-N 321.381 -0.019 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)[C@H]1CCCN1C 1057193410 GFOITBWEXNFNMD-CYBMUJFWSA-N 313.398 -0.780 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)[C@@H]1CCCN1C 1057211901 GHWXQPIRQJJSFT-AWEZNQCLSA-N 309.410 -0.179 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)C[C@@H]1COC(=O)C1 1057439307 HNJLJJCWMUNUSQ-ZDUSSCGKSA-N 324.377 -0.320 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)[C@@H]1CC[C@@H]1C(N)=O 1058294093 IHAVZRLBZRIIDW-QWHCGFSZSA-N 323.393 -0.906 30 20 DBED N#Cc1ccc(N2CC[C@@H](NC(=O)[C@H]3CCNC(=O)C3)C2)nn1 1058335836 GOZVSXZXPMBENG-CMPLNLGQSA-N 314.349 -0.431 30 20 DBED N#Cc1nccnc1N1CC[C@H](NC(=O)[C@@H]2CCNC(=O)C2)C1 1058336453 WVIGHZXCRBMQOJ-MNOVXSKESA-N 314.349 -0.431 30 20 DBED N#Cc1cnc(N2CC[C@H](NC(=O)[C@H]3COC(=O)N3)C2)c(F)c1 1058350495 MIRYJVQXDJROBX-GXSJLCMTSA-N 319.296 -0.104 30 20 DBED Cc1nsc(N2CC[C@H](NC(=O)c3nnn(C)n3)C2)c1C#N 1058517012 YXSBGDQVPOPTIE-QMMMGPOBSA-N 318.366 -0.145 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)C[C@H]1CCC(=O)N1C 1058660569 CPRVPSRHHHOKCS-VXGBXAGGSA-N 324.381 -0.906 30 20 DBED N#Cc1nc(=N[C@H]2C[C@H](NC(=O)[C@H]3CCCC(=O)N3)C2)cc[nH]1 1059329080 QZZJRXNKPAQKGZ-GMTAPVOTSA-N 314.349 -0.502 30 20 DBED C=CCOCC(=O)NC[C@@H]1COCCN1C(=O)[C@H](C)OCC 1061421764 UTWFLSVNZUPCCU-QWHCGFSZSA-N 314.382 -0.042 30 20 DBED C=CCOCC(=O)NC[C@H]1COCCN1C(=O)[C@@H](C)COC 1061422003 ZDOVSRQJHNSCTQ-STQMWFEESA-N 314.382 -0.185 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1COCCN1C(=O)c1cnccn1 1061569649 JDTGXYKHPZVFBU-CYBMUJFWSA-N 314.345 -0.153 30 20 DBED CCc1nc(C#N)cc(N2CC[C@H](N(C)C(=O)C(N)=O)C2)n1 1063019128 RXJCDJJZHUAROI-JTQLQIEISA-N 302.338 -0.567 30 20 DBED C=CCCC(=O)N1CCO[C@H](CNC(=O)CC(=O)N(C)C)C1 1064961516 LHJJSJGMHDZRBM-GFCCVEGCSA-N 311.382 -0.226 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@H](CNC(=O)CCc2cn[nH]c2)C1 1065557493 ROUGTFGIIUEEAL-WCQYABFASA-N 319.365 -0.154 30 20 DBED C[C@@H]1CN(C(=O)Cn2nccn2)C[C@@H]1Nc1nccnc1C#N 1067154187 ZXVSKIAPXJEDHI-PWSUYJOCSA-N 312.337 -0.101 30 20 DBED C[C@H]1CN(c2ncc(C#N)cc2F)CC[C@H]1NC(=O)C(N)=O 1067431128 SPMSRGLBALAGJL-GZMMTYOYSA-N 305.313 -0.091 30 20 DBED C=CCCC(=O)N1CCOC2(C1)CN(C(=O)[C@@H]1CCNC1=O)C2 1068344878 SQLZPQBLSGZNJZ-GFCCVEGCSA-N 321.377 -0.472 30 20 DBED C=CCN1CCn2ncc(CNC(=O)c3cnn(C)n3)c2C1 1069877659 HPNJIDXJMDPGLA-UHFFFAOYSA-N 301.354 -0.057 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)Cc2ccn(C)n2)C1 1069924758 DEQULBLRBDQRMO-KGLIPLIRSA-N 313.365 -0.771 30 20 DBED C=CCCC(=O)NC1(CNC(=O)[C@@H]2CNC(=O)N2)CCOCC1 1070032390 SRIZYBXYJGRHAH-NSHDSACASA-N 324.381 -0.584 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)c2ncn(C)n2)CCOCC1 1070101895 VTRHDTSUYMOZEH-JTQLQIEISA-N 320.353 -0.630 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)[C@H]2CCOC2)CCOCC1 1070231089 MQALSZTVZGOBRG-NEPJUHHUSA-N 309.366 -0.036 30 20 DBED N#CCN[C@@H]1CN(C(=O)CC2=CCOCC2)C[C@@H]1n1ccnn1 1070267857 UDIFSHFHVHIQKZ-KGLIPLIRSA-N 316.365 -0.120 30 20 DBED Cn1cnc([C@@H]2CN(C(=O)C(C)(C)C(N)=O)C[C@H]2NCC#N)c1 1070503562 DIMPOCWLAIQYBL-CMPLNLGQSA-N 318.381 -0.661 30 20 DBED N#CCN1CCOC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CCOC2)n1 1070581758 JMPDVEAKCXKYCG-GHMZBOCLSA-N 320.353 -0.646 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCC[C@@H](NC(=O)c2nc[nH]n2)C1 1070672567 MKCYXTWFDNATJD-YGRLFVJLSA-N 307.354 -0.147 30 20 DBED N#CCN1C[C@H]2C[C@H]3CN(C(=O)c4cc[n+]([O-])cc4)C[C@@]3(C1)O2 1070751350 HXFZQZKZAINQKU-SQWLQELKSA-N 314.345 -0.241 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)[C@H]4CC(=O)N(C)C4)C[C@@]3(C1)O2 1070806135 DHNLPZFOZMCHHH-ZOMKSWQUSA-N 317.389 -0.600 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)[C@H]4CCC(=O)NC4)C[C@@]3(C1)O2 1070818639 KRCCZDJHKINRDF-SZOQZIPDSA-N 317.389 -0.553 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)[C@]4(C)CNC(=O)C4)C[C@@]3(C1)O2 1070828197 KTVTVIHJRDGTCY-UWWPHRKUSA-N 317.389 -0.553 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)[C@@H]2C[C@@H]2C(=O)OC)CC1 1070945833 BEVROGLTHORRDY-OLZOCXBDSA-N 321.377 -0.921 30 20 DBED CC#CCN1CCNC(=O)CCN(C(=O)CN2CCCC2)CC1 1071020593 KUVBWWIKOCAGEJ-UHFFFAOYSA-N 320.437 -0.244 30 20 DBED Cc1c(C(=O)N2C[C@@H](C)O[C@]3(CCN(CC#N)C3)C2)nnn1C 1071149914 UAFKXAOPRRBXAR-ABAIWWIYSA-N 318.381 -0.048 30 20 DBED C#CCOCCC(=O)N1C[C@@H](NC(=O)CC(=O)N(C)C)[C@H](C)C1 1072097627 OZGCVNSSROEEJD-CHWSQXEVSA-N 323.393 -0.532 30 20 DBED N#CCN1CCCO[C@H](CNC(=O)c2cccnc2C(N)=O)C1 1073895724 AEFGZQZVNXYMPF-LLVKDONJSA-N 317.349 -0.475 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](NC(=O)COC)C[C@@H]1C 1074768400 MGVFREIOWKYIOD-NWDGAFQWSA-N 309.366 -0.732 30 20 DBED C=CCOCC(=O)N1CC[C@@H](NC(=O)Cn2cnnn2)C[C@@H]1C 1074807750 IVMATPANYIZQQI-NWDGAFQWSA-N 322.369 -0.629 30 20 DBED C#CCN1C[C@@H]2CCN(C(=O)c3cnn4c(=O)cc[nH]c34)[C@@H]2C1 1076334676 DDFGNERYTJWJFW-WCQYABFASA-N 311.345 -0.198 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H](C)CCNC(=O)c1cnnc(O)c1 1076984229 CMJALGMHJTURPF-QWRGUYRKSA-N 320.349 -0.155 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3nccn3C2)C1 1077259254 MHKXUVJIWJTDDZ-MGPQQGTHSA-N 302.378 -0.370 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)c2ccnc3[nH]nnc23)C1 1077363446 VTRCZMDDUNYLHZ-GHMZBOCLSA-N 300.322 -0.849 30 20 DBED CCN(C(=O)C#CC1CC1)C1CN(C(=O)[C@H]2COCCO2)C1 1079736632 CUXPSXKFWIDXKO-CQSZACIVSA-N 306.362 -0.126 30 20 DBED C#CCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)C2=COCCO2)C1 1079771156 UAPMRKOSFBQHNR-LBPRGKRZSA-N 322.361 -0.028 30 20 DBED C#CCOCCC(=O)N(CC)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1079772368 QBIFVKULMJIQBY-CHWSQXEVSA-N 323.349 -0.249 30 20 DBED CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)[C@@H](C)S(C)(=O)=O)C1 1080421756 PBFVFNZSZLITFD-VHSXEESVSA-N 315.395 -0.362 30 20 DBED C=CCOCC(=O)N1C[C@H](CNC(=O)c2cncnc2)[C@@H](O)C1 1081424194 BLBMAXDRFJPNGN-STQMWFEESA-N 320.349 -0.772 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@@H]1O 1081441245 GDNUXQDOEWCBCS-YPMHNXCESA-N 319.365 -0.832 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1ccc2c(n1)OCCO2 1081893209 GILKKZIZFMWHGO-DGCLKSJQSA-N 318.333 -0.195 30 20 DBED CCCCN1CCOC[C@@H]1C(=O)N[C@@H]1CN(CC#N)C[C@H]1OC 1081985251 KCUNMNMEMJFVSU-RBSFLKMASA-N 324.425 -0.174 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1[nH]c(O)nc1C 1083113601 JTNYGZVLMKYFBU-NWDGAFQWSA-N 304.350 -0.028 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCNC(=O)CC2)C1 1083671366 KYCVLHSLICLMEF-TUAOUCFPSA-N 315.801 -0.184 30 20 DBED C#CCN[C@H]1C[C@H](CNC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 1086366162 PDNYXLNXFYMORZ-JHJVBQTASA-N 315.377 -0.120 30 20 DBED COc1c(O)nc(O)nc1C(=O)NC[C@H]1C[C@H](NCC#N)C1 1086533007 SGTCYALSEJXAET-ZKCHVHJHSA-N 307.310 -0.482 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)Cc1nc[nH]n1)N=c1cc[nH]c(C#N)n1 1089393373 JNZKMFFEHOBASC-VHSXEESVSA-N 314.353 -0.174 30 20 DBED C=C(Cl)CN1CC[C@@H](NC(=O)Cc2n[nH]c(C)n2)[C@@H](O)C1 1090232931 CAOPJEALUXXXQM-MNOVXSKESA-N 313.789 -0.040 30 20 DBED C=CCN1CC[C@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)[C@@H](O)C1 1090785258 YTZCTGXEKBUYNX-QWRGUYRKSA-N 324.381 -0.946 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CN(c2cc(C)ncc2C#N)C[C@@H]1O 1091096337 MQVRCXMHSYKADQ-YPMHNXCESA-N 317.349 -0.937 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1CN(c2ccc3nnnn3n2)C[C@@H]1O 1091168309 IODDOQYMCSOKJC-ZJUUUORDSA-N 317.353 -0.603 30 20 DBED C#CCN1CCC(C(=O)NCC2CC(N[C@H](C)C(N)=O)C2)CC1 1091377247 DSZYNXJDBWTGFI-DNOWBOINSA-N 320.437 -0.310 30 20 DBED CSCC(=O)N[C@@H]1CCN(c2ccnc(C#N)n2)C[C@@H]1O 1092148810 UXZCTOOEYCFBOA-ZJUUUORDSA-N 307.379 -0.233 30 20 DBED C#CCCCC(=O)NC1[C@H]2CN(c3nccn4nnnc34)C[C@H]12 1093255783 DDWVSBMTWGAMAK-QWRGUYRKSA-N 311.349 -0.126 30 20 DBED N#Cc1cnc(NCCNC(=O)C[C@@H]2CCCS2(=O)=O)cn1 1094011625 NABADDDRWBSXKF-NSHDSACASA-N 323.378 -0.156 30 20 DBED C[C@@H]1C[C@H](C(=O)NCc2cn(C3CN(CC#N)C3)nn2)CO1 1094301813 FVYIUNOPYSFHKU-MNOVXSKESA-N 304.354 -0.300 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCCNc1ccc2nnnn2n1 1094384465 UYWOWDHQONWJRT-CYBMUJFWSA-N 305.342 -0.235 30 20 DBED CCc1nc(C#N)cc(NCCCNC(=O)c2nnn(C)n2)n1 1094724673 FSGRLPADFYDRML-UHFFFAOYSA-N 315.341 -0.334 30 20 DBED C=CCCN1CC(N2C[C@@H](NC(=O)[C@@H]3CCNC3=O)CC2=O)C1 1094768228 RMXAXTYADAYPRX-WCQYABFASA-N 320.393 -0.900 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)Cn3ccnc3C)CC2=O)C1 1094817245 KWFFXIMPHLIGNE-ZDUSSCGKSA-N 317.393 -0.221 30 20 DBED N#CCN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1ccc(O)nc1=O)C2 1094957657 CHGKNYCLIPJELU-SRVKXCTJSA-N 317.349 -0.558 30 20 DBED C[C@@H](C#N)C(=O)NC1CCN(c2ccc3nnnn3n2)CC1 1095399095 OCCPLBLNOAPRRJ-VIFPVBQESA-N 300.326 -0.236 30 20 DBED CN1CCN(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC#N)CC1=O 1095648188 MYRFSKOXOIBEDX-AGIUHOORSA-N 305.382 -0.995 30 20 DBED N#Cc1cncc(N2CC[C@@H](NC(=O)CCn3cncn3)C2)n1 1096315262 JTPHEGRJLLNVCR-LLVKDONJSA-N 312.337 -0.275 30 20 DBED CN(C)C(=O)CC(=O)N[C@@H]1CCN(c2cnc(C#N)cn2)C1 1096489013 YPRWKAXYWRHHLG-SNVBAGLBSA-N 302.338 -0.479 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](Nc1nccn2nnnc12)C1CC1 1096597567 DDXNSBANRRHDMC-WCBMZHEXSA-N 300.326 -0.014 30 20 DBED C[C@H](CC(=O)N[C@H]1C[C@@H](Nc2cnc(C#N)cn2)C1)NC(N)=O 1097225358 SWHGPUJRMIKACV-BBBLOLIVSA-N 317.353 -0.146 30 20 DBED COC(=O)NCC(=O)NC[C@@H](C)Nc1nc(C)cc(C#N)n1 1097694487 VVCRHELDMPQNSX-SECBINFHSA-N 306.326 -0.071 30 20 DBED C[C@@H](CNC(=O)C[C@@H]1CCC(=O)N1)Nc1nccnc1C#N 1097950458 PDGMSEOMCYBAKL-UWVGGRQHSA-N 302.338 -0.066 30 20 DBED C#CCCN(CCO)C1CCN(C(=O)[C@@H]2CCC(=O)NC2)CC1 1098416707 DLYKUGYZVQUYTA-CQSZACIVSA-N 321.421 -0.179 30 20 DBED N#CCN[C@@H]1CN(C(=O)CCn2cnnn2)C[C@H]1C(F)(F)F 1099325519 PZTCOLKGHQIKMF-RKDXNWHRSA-N 317.275 -0.434 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCN(CCCC=C)C[C@@H]1O 1099788364 DJVMMJMOPQDVAC-KGLIPLIRSA-N 307.394 -0.357 30 20 DBED Cc1noc(CN2CC[C@@H](NC(=O)C#CC3CC3)[C@H](O)C2)n1 1099812182 CBRCMOXIKLNHAW-CHWSQXEVSA-N 304.350 -0.157 30 20 DBED C#CCN1CC[C@H](NC(=O)COCc2nccn2C)[C@H](O)C1 1099887736 JZUNBWHIXXFFCE-QWHCGFSZSA-N 306.366 -0.879 30 20 DBED N#CCNC(=O)CNC1CC(CNC(=O)[C@H]2CCCCO2)C1 1100247864 RKSQBGAWCSMMOB-WXRRBKDZSA-N 308.382 -0.320 30 20 DBED CC(C)(C(N)=O)C(=O)NC[C@@H]1CCCN1c1ccnc(C#N)n1 1100876626 GVKNLRPPWALURL-JTQLQIEISA-N 316.365 -0.055 30 20 DBED CC(=O)N[C@@H]1CC2(CN(CC(=O)NCC#N)C2)n2ccnc21 1101602868 QYTYKMVRIXAVGX-LLVKDONJSA-N 302.338 -0.885 30 20 DBED C=CCOCC(=O)N1C[C@@H](C)[C@H](CCNCC(=O)NCC#N)C1 1103991827 YWAGXWYCBQNXEJ-ZIAGYGMSSA-N 322.409 -0.097 30 20 DBED C#CCNCc1cn(C2CN(C(=O)CCn3ccnn3)C2)nn1 1105221212 BVOSOOWBNHSGBU-UHFFFAOYSA-N 314.353 -0.934 30 20 DBED Cn1cc(C(=O)NC[C@H](O)CNc2ccc(C#N)nc2)cn1 1105716662 YNLPQICBFNNDQZ-CYBMUJFWSA-N 300.322 -0.110 30 20 DBED Cc1c(C(=O)NC[C@H](O)CNc2ncccc2C#N)nnn1C 1105763104 ZLBXAHALROGUJK-LLVKDONJSA-N 315.337 -0.407 30 20 DBED N#Cc1cnc(NC[C@@H](O)CNC(=O)[C@H]2CCCCO2)cn1 1105819773 LIGFOBZFKHEQIX-VXGBXAGGSA-N 305.338 -0.194 30 20 DBED CCN(C)CCC(=O)NC[C@@H](O)CNc1nc(C)cc(C#N)n1 1105944644 WHCAJDAVIFGDDZ-CYBMUJFWSA-N 320.397 -0.113 30 20 DBED CC[C@@H]1OCC[C@H]1C(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1 1106183092 PPWZYKCHSYFXIG-UTUOFQBUSA-N 319.365 -0.526 30 20 DBED C[C@@H]1CN(C(=O)COCc2ncnn2C)C[C@H]1CNCC#N 1106824883 MZISKTYFBHSELL-VXGBXAGGSA-N 306.370 -0.461 30 20 DBED N#Cc1cncc(NC/C=C\CNC(=O)[C@@H]2COCCO2)n1 1107050852 MCRYILBRWAXLBY-BIOMNHJASA-N 303.322 -0.152 30 20 DBED C#CCN1CC(n2cc(CNC(=O)CCN(C)CC)nn2)C1 1107225871 IZIZSDUFEYTRLV-UHFFFAOYSA-N 304.398 -0.274 30 20 DBED N#Cc1nc(=NC/C=C\CNC(=O)C23CCN(CC2)C3)cc[nH]1 1107276815 RHFFRLYNMLRKNT-UPHRSURJSA-N 312.377 -0.050 30 20 DBED CC#CCN1CCO[C@@](C)(CNC(=O)CN2CCOCC2)C1 1107879129 RHKMAPANSNHTGG-INIZCTEOSA-N 309.410 -0.451 30 20 DBED CC(C)N1CCO[C@H](C(=O)NC[C@@]2(C)CN(CC#N)CCO2)C1 1108159134 SAMQFYNDSHRUOD-HOCLYGCPSA-N 324.425 -0.174 30 20 DBED C[C@@]1(CNC(=O)C(=O)NCC(F)(F)F)CN(CC#N)CCO1 1108308326 HTVHSUPASOWFFN-LLVKDONJSA-N 322.287 -0.604 30 20 DBED C#CCCN1CC(N2C[C@@H](NC(=O)CCOCC)CC2=O)C1 1108522808 XONLQRUJUPJIPG-ZDUSSCGKSA-N 307.394 -0.162 30 20 DBED C#CCCN1CC(N2C[C@@H](NC(=O)CCN(C)CC)CC2=O)C1 1108584833 MMIMRYHQTJLRQM-AWEZNQCLSA-N 320.437 -0.247 30 20 DBED C#CCCN1CC(N2C[C@H](NC(=O)CN(C)CCC)CC2=O)C1 1108587646 SUTCVVLDLKVOHN-CQSZACIVSA-N 320.437 -0.247 30 20 DBED Cn1cnc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCC#N)c1 1109147021 MLVXLVSQTLKQDG-MDZLAQPJSA-N 316.365 -0.605 30 20 DBED N#Cc1cnc(NC[C@@H](NC(=O)[C@H]2CCNC2=O)C2CC2)cn1 1109945196 DZUKPJMAJJHNJS-NWDGAFQWSA-N 314.349 -0.209 30 20 DBED CC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CC[C@H]1NC(=O)NC1=O 1110076990 BFMNZXRQRRGVCK-NDBYEHHHSA-N 318.377 -0.281 30 20 DBED CCC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC#CCOC 1110393711 RFYNTYVHFIBUIY-MCIONIFRSA-N 307.394 -0.116 30 20 DBED N#Cc1cnccc1N1CC[C@](O)(CNC(=O)c2cnon2)C1 1111091478 RMWFVXSVHWGRIS-AWEZNQCLSA-N 314.305 -0.293 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@@H](NCC(N)=O)[C@H](C(F)(F)F)C1 1112100976 RZBUIBZWLYXEJK-IVZWLZJFSA-N 321.299 -0.511 30 20 DBED C[C@H](C(=O)N1CCN(CC(=O)NCC#N)CC1)n1cccc1 1112769014 SCMFBPYIZUOSET-CYBMUJFWSA-N 303.366 -0.167 30 20 DBED C[C@H](N=c1cc[nH]c(C#N)n1)[C@H](C)NC(=O)c1ccc(O)nn1 1112900653 SSAUFDVLMNPRAF-IUCAKERBSA-N 313.321 -0.115 30 20 DBED COCC1(C(=O)N2CCN(CC(=O)NCC#N)CC2)CCCC1 1112932628 BGQIBFIKKTUHIN-UHFFFAOYSA-N 322.409 -0.023 30 20 DBED C[C@H](Nc1cnc(C#N)cn1)[C@@H](C)NC(=O)CN1CCOCC1 1112971419 QWBZYMMGTIPVDG-NWDGAFQWSA-N 318.381 -0.014 30 20 DBED CNC(=O)NCCC(=O)N[C@@H](C)[C@H](C)Nc1nccnc1C#N 1113001600 LJSYTYYBCNVXGO-UWVGGRQHSA-N 319.369 -0.028 30 20 DBED C[C@H](CNC(=O)[C@@H]1CCC(=O)N1)N(C)c1nccnc1C#N 1113672555 MFQQHFWSBGXJOF-ZJUUUORDSA-N 302.338 -0.432 30 20 DBED C[C@@H](CNC(=O)c1c[nH]c(=O)cn1)N(C)c1ccnc(C#N)n1 1113849475 NANAORKYJPTOGU-VIFPVBQESA-N 313.321 -0.314 30 20 DBED C=C(C)CN(CC)C(=O)CN1C[C@H]2[C@H](NC(=O)CC(N)=O)[C@H]2C1 1114092997 HPSQGIAAMPQWCO-ATCWAGBWSA-N 322.409 -0.667 30 20 DBED Cc1cc(C(=O)NC2[C@H]3CN(CC(=O)NCC#N)C[C@H]23)ncn1 1114143984 XZPSIVDFFMPVKV-QWRGUYRKSA-N 314.349 -0.915 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)c3c[nH]c(C#N)c3)[C@@H]2C1 1114163642 LCTCSGKPJAMJEG-CHWSQXEVSA-N 313.361 -0.151 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)[C@@H]3CCN(C)C(=O)C3)[C@@H]2C1 1114471314 DHSNJLXJFSUBQO-MGPQQGTHSA-N 319.405 -0.449 30 20 DBED C#CCCN1C[C@H]2[C@H](NC(=O)CS(=O)(=O)CCOC)[C@H]2C1 1114481644 ZKVGDLKPGGGGIY-IMRBUKKESA-N 314.407 -0.883 30 20 DBED N#Cc1cccnc1NC[C@H]1C[C@H](NC(=O)CNC(N)=O)C1 1114736007 UKLSDQSHGAJJRD-HOMQSWHASA-N 302.338 -0.072 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)c3ccc(O)nc3)[C@@H]2C1 1115193145 ZSZBHXNBJYEILJ-VXGBXAGGSA-N 314.345 -0.803 30 20 DBED COC[C@@H](OC)C(=O)N(C)C[C@H](C)N=c1cc[nH]c(C#N)n1 1120627512 VFBSNZDKDVPZLL-WDEREUQCSA-N 307.354 -0.310 30 20 DBED CCn1ccnc1C(=O)NC[C@@H](CO)Nc1nccnc1C#N 1121412795 VFZKGLYIGLBSEY-JTQLQIEISA-N 315.337 -0.233 30 20 DBED N#Cc1cnc(N[C@H](CO)CNC(=O)[C@H]2CCCCO2)cn1 1121453845 FOOKFFJFLUDQCT-NWDGAFQWSA-N 305.338 -0.194 30 20 DBED C=CCO[C@H](C)C(=O)NC[C@@H](CO)Nc1ccc(C#N)nn1 1121750417 ZRNCKYHVVRYFJL-PWSUYJOCSA-N 305.338 -0.172 30 20 DBED COC[C@@H](C)CC(=O)NC[C@@H](CO)Nc1nccnc1C#N 1121984564 JFBAPEIADYVHAT-QWRGUYRKSA-N 307.354 -0.090 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)CCCCC(N)=O)nn1 1122044874 KYHAAZXFDXEZQZ-LLVKDONJSA-N 320.353 -0.717 30 20 DBED COCCCOCC(=O)NC[C@H](CO)Nc1cnc(C#N)cn1 1122052496 LAGKRKAPEPDCCR-GFCCVEGCSA-N 323.353 -0.710 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]cc1C#N)C(=O)C1=COCCO1 1124071740 FPRRURXCPCODJO-GFCCVEGCSA-N 318.333 -0.505 30 20 DBED CN(C[C@@H](O)CNc1cnc(C#N)cn1)C(=O)c1nc[nH]n1 1124461241 XMFDATFLDZBDHI-VIFPVBQESA-N 302.298 -0.989 30 20 DBED CNC(=O)NCC(=O)N(C)C[C@@H](O)CNc1ccc(C#N)nc1 1124845492 PZJKEEHQKSCYFW-LBPRGKRZSA-N 320.353 -0.887 30 20 DBED CN(C[C@H](O)CN(C)c1cnc(C#N)cn1)C(=O)c1cocn1 1124989283 SZLIQCVIMINHNX-LLVKDONJSA-N 316.321 -0.094 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)CO[C@H](C)CC 1125825472 ULEBGYBNUSNEPB-LLVKDONJSA-N 314.386 -0.481 30 20 DBED O=C(Cn1cnnc1O)NCCNCC#Cc1ccc(F)cc1 1126021218 IQEHSIFVWMJODK-UHFFFAOYSA-N 317.324 -0.120 30 20 DBED CC(C)(O)CC(=O)N[C@@H]1CCc2nnc(CNCC#N)n2CC1 1128006456 TYJDNXVTWJGPLX-LLVKDONJSA-N 320.397 -0.127 30 20 DBED COCC(C)(C)C(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1 1129106098 APAWEFOKUMRKDU-NEPJUHHUSA-N 306.370 -0.184 30 20 DBED C=C(C)CCN[C@@H]1CN(C(=O)CNC(N)=O)C[C@@H]1n1ccnn1 1129577931 BBELBSMCSZARQK-NEPJUHHUSA-N 321.385 -0.746 30 20 DBED C#CCCN1CC[C@H](Oc2cnccc2CNC(=O)C(N)=O)C1 1130323396 ILDMACDYGBNCEZ-ZDUSSCGKSA-N 316.361 -0.341 30 20 DBED C[C@H](CC(N)=O)C(=O)N1C[C@@H](NCC#N)[C@H](c2cn(C)cn2)C1 1130639581 KRYJHHADVYZTNU-NTZNESFSSA-N 318.381 -0.661 30 20 DBED C#CCNC(=O)CNCCNC(=O)C(=O)Nc1ccccc1 1130795966 QXJLTZHRJFTZPU-UHFFFAOYSA-N 302.334 -0.920 30 20 DBED COCC#CCNCCNC(=O)C[C@@H]1CCS(=O)(=O)C1 1130991180 YCCHGJYEFWXTTO-LBPRGKRZSA-N 302.396 -0.833 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1ncoc1[C@H]1CCCO1 1132350363 SNPMAPCEOMQZLO-LLVKDONJSA-N 320.349 -0.405 30 20 DBED C#CCNC[C@H]1CN(C(=O)CN(C)S(C)(=O)=O)CC[C@H]1C 1132865565 OZWFUPAHEDQWMB-OLZOCXBDSA-N 315.439 -0.415 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)CN2CCOCC2=O)CC[C@@H]1C 1132900794 HMCKYSMFHUVYKJ-LSDHHAIUSA-N 321.421 -0.057 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)c1cnoc1CC 1134546795 WFFJSDFVHWMBHX-UHFFFAOYSA-N 323.353 -0.432 30 20 DBED C=CCn1cc(C(=O)NCCNC[C@@H](O)Cn2cccn2)nn1 1134973266 KOGAVZLBDJGNDO-GFCCVEGCSA-N 319.369 -0.959 30 20 DBED C=CCCN[C@@H](C)C[C@@H](C)NC(=O)CNS(=O)(=O)NC 1135117996 GENLBHTUPVNSNU-WDEREUQCSA-N 306.432 -0.511 30 20 DBED COCC#CCN[C@H](C)C[C@H](C)NC(=O)CCn1cnnn1 1135763722 APVPLLXKIZPWNJ-OLZOCXBDSA-N 308.386 -0.414 30 20 DBED C#CCNC(=O)CN1CCCO[C@H](CNC(=O)[C@@H]2CCCO2)C1 1149090795 VTKPZXGSYGHJEO-KGLIPLIRSA-N 323.393 -0.878 30 20 DBED Cn1cnnc1COCC(=O)NC[C@H]1CN(CC#N)CCCO1 1150541750 RDOCLLNWYYENCW-LBPRGKRZSA-N 322.369 -0.938 30 20 DBED C=CCN1CCCO[C@H](CNC(=O)CN2CC(=O)N(C)C2=O)C1 1150578983 HPNMYWFQMVTWQT-GFCCVEGCSA-N 324.381 -0.727 30 20 DBED C#CCNC(=O)CNCCNC(=O)CCn1cc(Cl)cn1 1152177365 QPNFREARRMCSPA-UHFFFAOYSA-N 311.773 -0.618 30 20 DBED C=C(C)CCNCCNC(=O)c1cn(CC(=O)N(C)C)nn1 1152420786 JFLMEEARKASDRM-UHFFFAOYSA-N 308.386 -0.348 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)c1cncnc1 1152899609 HRVXLUSHENJVEL-LLVKDONJSA-N 304.354 -0.443 30 20 DBED C=CCO[C@H](C)C(=O)NCCNCCNC(=O)NC(C)C 1153149076 RUEINLFFHAEFEJ-GFCCVEGCSA-N 300.403 -0.009 30 20 DBED CC(=O)NCCOCCNCCCNC(=O)CSCC#N 1154815259 ZRJXRRLXXMGHOU-UHFFFAOYSA-N 316.427 -0.508 30 20 DBED C[C@H](NCCCNC(=O)c1c[nH]c(C#N)c1)c1nnnn1C 1156841896 VLXQRXQVTRHIQR-VIFPVBQESA-N 302.342 -0.119 30 20 DBED C#CCNCCN(CCc1ccccc1)C(=O)Cn1cnnn1 1162688852 RKMIQNJCEKRPIL-UHFFFAOYSA-N 312.377 -0.033 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)[C@@]1(C)CCC(=O)NC1 1164442403 ZWDPLWNXUIKAFU-LRDDRELGSA-N 324.425 -0.311 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@H]1CCCc2nn[nH]c21 1165277160 HIICYNXVBCWSTR-NSHDSACASA-N 320.397 -0.377 30 20 DBED C=CCCOCC(=O)NCCCNCC(=O)N1CCOCC1 1177264684 UQHFPBICQZCDQT-UHFFFAOYSA-N 313.398 -0.466 30 20 DBED C[C@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)CSCC#N 1178147885 LKSXPTMERATESQ-QWRGUYRKSA-N 309.395 -0.538 30 20 DBED C#CCCNC[C@]1(C)CN(C(=O)CN2CCOCC2=O)C[C@H]1C 1181745777 KEKNRBVBPZMNMM-RHSMWYFYSA-N 321.421 -0.057 30 20 DBED C#CCNC[C@@H]1CCN(C(=O)CN2CCOCC2=O)C[C@@H]1C 1184588179 XCELYULFFQOJAW-KBPBESRZSA-N 307.394 -0.447 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC[C@H]2CN(CC(=O)NC(N)=O)C[C@H]21 1187764390 YWCUFQXECONBFX-FIXISWKDSA-N 324.381 -0.959 30 20 DBED C=CCOCC(=O)N1CC[C@@H](N(C)CCN2CCNC2=O)C1 1189379622 LDUAXJMKKMSUPW-CYBMUJFWSA-N 310.398 -0.253 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)[C@@]2(C)CCNC2=O)C1 1192327266 YSYYXFCPHZRANF-LRDDRELGSA-N 322.409 -0.653 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(Cc2n[nH]c(C)n2)C[C@H]1O 1192530660 PKPRGGOOAJCXCE-GYSYKLTISA-N 309.370 -0.898 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN([C@H](C)C(=O)NC2CC2)C[C@H]1O 1192804804 JGJCTWZNDMSALA-MRVWCRGKSA-N 307.394 -0.526 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2nncs2)C[C@H]1O 1192892182 UTJSPPXNAUUCJW-HBNTYKKESA-N 310.379 -0.762 30 20 DBED C=CCCOCC(=O)N1CC[C@H](N(C)Cc2nc(=O)n(C)[nH]2)C1 1194381664 LCUJZSLPEUHTFI-LBPRGKRZSA-N 323.397 -0.266 30 20 DBED N#CCNC(=O)CN1CCCN(C(=O)Cn2cccn2)CC1 1194831683 WBOJJAFQNGPGDW-UHFFFAOYSA-N 304.354 -0.943 30 20 DBED C#CCCCCCC(=O)N[C@@H]1CN(CCOCCO)C[C@H]1O 1195307055 LOVWUBAWIXHSMH-HUUCEWRRSA-N 312.410 -0.260 30 20 DBED N#CCNC(=O)CN1CCCN(C(=O)Cc2ncc[nH]2)CC1 1197555462 OOBTVKSEJNGXLH-UHFFFAOYSA-N 304.354 -0.874 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CCN(C(=O)Cc2ccon2)CC1 1199911329 MCTWFPGLLPHMQZ-GFCCVEGCSA-N 318.377 -0.064 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC(NCc2nc(=O)n(C)[nH]2)CC1 1200494699 HRTTVOQIMGLJDX-NSHDSACASA-N 321.381 -0.773 30 20 DBED C#CCNC[C@@H]1CN(C(=O)[C@@H](OC)c2cnn(C)c2)CCCO1 1201081615 YFZCKFQZZGWTDP-CABCVRRESA-N 320.393 -0.052 30 20 DBED C=CCNC(=O)CNC[C@H]1CN(C(=O)c2cnon2)CCCO1 1201688240 NTITTYDHIZPWDN-NSHDSACASA-N 323.353 -0.808 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)c2ncn(C)n2)CC1 1205158643 LTKPOKPYHMPIHT-UHFFFAOYSA-N 318.381 -0.994 30 20 DBED CCN(C)CCC(=O)N1CCC(CNCC(=O)NCC#N)CC1 1206794154 JKRMVWNRPRLJNW-UHFFFAOYSA-N 323.441 -0.204 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(CCNC(=O)C2CC2)C[C@H]1C 1206965327 XXTRRWKXYJAGDX-VNHYZAJKSA-N 321.421 -0.013 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@H]1CCCN(C(=O)CN(C)C(C)=O)C1 1207440315 APNFHPTWWDPHSD-OCCSQVGLSA-N 324.425 -0.264 30 20 DBED N#CCNC(=O)CN[C@H]1CCCN(C(=O)Cc2cccnc2)C1 1207796120 PICICFTXZKDOMX-AWEZNQCLSA-N 315.377 -0.156 30 20 DBED N#CCNC(=O)CN[C@H]1CCCN(C(=O)c2csc(O)n2)C1 1209119520 AFLOASXOBGWALI-VIFPVBQESA-N 323.378 -0.317 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)Cc2ncc[nH]2)C1 1210305139 SXEZOVOTWKJQFR-LBPRGKRZSA-N 305.382 -0.165 30 20 DBED CO[C@@H]1CN(CC(=O)NC(C)(C)C)C[C@H]1NC(=O)[C@@H](C)C#N 1212039188 FUJABNBSBZFCPE-QJPTWQEYSA-N 310.398 -0.124 30 20 DBED C=CCOCCN1C[C@@H](NC(=O)Cc2nc[nH]n2)[C@H](OC)C1 1213700743 XRMIPYIVJUISPP-VXGBXAGGSA-N 309.370 -0.635 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@@H](NCCN2CCNC2=O)[C@H](C)C1 1214604469 CSNZVIPWUPBFPZ-MGPQQGTHSA-N 322.409 -0.514 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H](F)CC 1218428943 JEVUKJVGMAQRKO-RWMBFGLXSA-N 313.373 -0.052 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)C2CC=CC2)C1 1219401219 RUZJFVSPLRQXIF-BNOWGMLFSA-N 305.378 -0.748 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2[C@H]3CCCC[C@H]32)C1 1219416330 XLQRTNQHRSCPJX-AQRJEWBLSA-N 319.405 -0.667 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(CC(=O)N(C)CC2CC2)C[C@@H]1O 1219532070 HRPLZTHOCOQGJU-CABCVRRESA-N 321.421 -0.180 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)[C@@H](Cn2cccn2)N(C)C)C1 1219800529 PXSLQCALGMZLFR-KFWWJZLASA-N 321.425 -0.449 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)CCc2nccn2C)C1 1220053384 JLUTVHWPKYZZCW-KGLIPLIRSA-N 320.393 -0.836 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)[C@H](C)C(F)(F)F)C1 1220165443 AYZATWCRNSMFSC-AXFHLTTASA-N 308.300 -0.004 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)C(C)(C)c2cnc[nH]2)C1 1220757645 PYUGEFIYHISJAM-OLZOCXBDSA-N 320.393 -0.502 30 20 DBED CCc1noc(CCCC(=O)N[C@@H]2CN(CC#N)C[C@@H]2O)n1 1220973801 ZQLINMPCHHDMOK-MNOVXSKESA-N 307.354 -0.360 30 20 DBED C=CC[C@@H](C(=O)N[C@@H]1CN(CC(N)=O)C[C@@H]1O)c1ccccc1 1221028730 ANUYLURHBZMLCH-KFWWJZLASA-N 317.389 -0.007 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)CN(CC)CC)[C@@H]2C1 1221878632 YLFCDLRNWDYCBS-HUUCEWRRSA-N 320.437 -0.390 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)Cn2ccnc2)C1 1222097755 FKJSOMXREFWCQP-ZDUSSCGKSA-N 303.366 -0.787 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)[C@@]23COC[C@@H]2C3)CC1 1223260220 XFCYOESFFPQKIZ-YOEHRIQHSA-N 319.405 -0.400 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cn(C)nn1 1226010915 AIQXJIMRPOQIJD-VXGBXAGGSA-N 318.381 -0.805 30 20 DBED C=CCOCC(=O)NC1CCN([C@@H](C)C(=O)NC(N)=O)CC1 1226570436 CLJFZXHLCUGPOF-JTQLQIEISA-N 312.370 -0.647 30 20 DBED C#CCO[C@@H](C)C(=O)NC1CCN(Cc2nc(=O)n(C)[nH]2)CC1 1227332800 ZRPRBCLAOUDUJX-NSHDSACASA-N 321.381 -0.773 30 20 DBED CNC(=O)NC(=O)CN1CC[C@H]1CN(C)C(=O)C#CC1CC1 1234179230 TXONHYVQKKJMIV-LBPRGKRZSA-N 306.366 -0.612 30 20 DBED N#CCn1cc(NC(=O)C(=O)NCCN2CCSCC2)cn1 1253370612 XSCXQNLBQLJOBE-UHFFFAOYSA-N 322.394 -0.490 30 20 DBED Cn1cnc(CNC(=O)C(=O)NCC2CCC(C#N)CC2)n1 1260117784 LQWXTNQJNKJFIT-UHFFFAOYSA-N 304.354 -0.123 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)N2CC[C@@H]3CNC[C@@H]32)CCN1C1CC1 1261861189 QFVBETVTRGZXNQ-XBFCOCLRSA-N 317.393 -0.995 30 20 DBED CO[C@@H]1CCN(C(=O)C(=O)N2CCN(CCC#N)CC2)C[C@H]1C 1261872847 CKVJARFMSSQJKD-ZIAGYGMSSA-N 322.409 -0.072 30 20 DBED O=C(c1cccc(C#CCO)c1)N(CCO)CCOCCO 1262184833 TVXWIWWEUQENMW-UHFFFAOYSA-N 307.346 -0.526 30 20 DBED CC(C)[C@@H](C(=O)N[C@@H]1CCCN(CC(=O)NCC#N)C1)N(C)C 1266246830 XKLIYVKNMXLNSI-HIFRSBDPSA-N 323.441 -0.207 30 20 DBED C#CCN(CC1CC1)C(=O)CN1CCN(S(C)(=O)=O)CC1 1319457134 KILXBMDQKVJBSK-UHFFFAOYSA-N 313.423 -0.565 30 20 DBED COC(=O)C1(NC(=O)CCN/C(O)=C2\N=CC=CC2=O)CC1 1319635565 NLBVJIIRWFIBBQ-VAWYXSNFSA-N 307.306 -0.275 30 20 DBED N#CCOc1cc(F)ccc1NC(=O)C(=O)NC[C@@H](O)CO 1320563524 JZOODVNSNQLEPK-SECBINFHSA-N 311.269 -0.864 30 20 DBED C=C[C@H](COC)NC(=O)N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1321256463 KTSHYPZKIQEDLC-MNOVXSKESA-N 310.354 -0.135 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)NCCC(=O)N1CCCCC1 1322890645 LGRCYPNLQDLJRO-UHFFFAOYSA-N 317.389 -0.010 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)NC[C@@H]2CSCCS2)CCO1 1324694532 MFVIXLDSQJAKTH-VHSXEESVSA-N 315.420 -0.298 30 20 DBED C[C@H](C#N)CNC(=O)C(=O)Nc1ccc(S(C)(=O)=O)nc1 1324871500 NYUADBDJXHRPGQ-MRVPVSSYSA-N 310.335 -0.301 30 20 DBED C#CCC[C@@H](O)CNC(=O)[C@H](C)S(=O)(=O)C1CCOCC1 1325139837 PTNJCBQPJRLBJZ-NWDGAFQWSA-N 317.407 -0.141 30 20 DBED Cc1cc(NC(=O)C(=O)N2CC[C@](O)(CC#N)C2)cn(C)c1=O 1326088885 ZZYNSDAOEFCJJE-OAHLLOKOSA-N 318.333 -0.491 30 20 DBED C#CCCCCNC(=O)C(=O)N[C@@H]1CCN(C(=O)NCC)C1 1327261655 LSCZGIYYTIJPIL-GFCCVEGCSA-N 308.382 -0.174 30 20 DBED C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](CC#N)C2)C[C@H](CO)O1 1327394892 ZRPBUXKQMSCDSW-JHJVBQTASA-N 309.366 -0.253 30 20 DBED C#CCN(C)C(=O)C(=O)N1CCN(C(=O)N2CCCC2)CC1 1328284991 AJISXWITNMFZNS-UHFFFAOYSA-N 306.366 -0.562 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N[C@H]1C[C@@H]2CCCCN2C1=O 1328967540 GGTRWTDHWXYDFB-STQMWFEESA-N 323.393 -0.083 30 20 DBED C[C@@H](NC(=O)C(=O)N1CC[C@@](O)(CC#N)C1)c1cnn(C)c1 1329330071 DVULWDRWJCTNRQ-YGRLFVJLSA-N 305.338 -0.526 30 20 DBED C#CCn1ccc(CN(CC)C(=O)C(=O)NC[C@@H]2CCN2C)n1 1345339032 WRVAKMBKBZWHFL-AWEZNQCLSA-N 317.393 -0.315 30 20 DBED C#CCOCCN(C)C(=O)[C@@H](CO)NC(=O)OC(C)(C)C 1351167734 PUHWQVAZSXEADY-LLVKDONJSA-N 300.355 -0.020 30 20 DBED Cn1c(Cl)cnc1CNC(=O)Cn1cc(C#N)c(O)nc1=O 1362749141 SYBSZVCQIRBWGT-UHFFFAOYSA-N 322.712 -0.476 30 20 DBED N#Cc1cn(CC(=O)N[C@@H](CO)CC2CCC2)c(=O)nc1O 1362912771 IGIMDUDOQRRBFO-LLVKDONJSA-N 306.322 -0.512 30 20 DBED N#CCOc1ccccc1C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1O 1363497439 MPQLYBGLQQGSCQ-GHMZBOCLSA-N 310.331 -0.523 30 20 DBED COC(=O)C1=C(C)O[C@H](Cn2c(=O)c(C#N)c(C)n(C)c2=O)C1 1364300147 AMALFFLRVSDCTK-JTQLQIEISA-N 319.317 -0.037 30 20 DBED Cc1cc(C[C@H](C)NS(=O)(=O)N2CCO[C@H](C#N)C2)n[nH]1 1364870355 JTNLBGPQYUKCKM-CMPLNLGQSA-N 313.383 -0.292 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)Cn1cnnn1 1371736296 NOOOTIGZKHJTFN-WOPDTQHZSA-N 319.369 -0.424 30 20 DBED CCN1C[C@@H](C(=O)N2CC(CNC(=O)[C@@H](C)C#N)C2)CC1=O 1374901208 ZGKAOTJYYCCOHL-JQWIXIFHSA-N 306.366 -0.411 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1C[C@@H](NC(=O)CCn2cnnn2)C1 1396541298 SWVMZAAPZJBLJF-GARJFASQSA-N 305.342 -0.766 30 20 DBED CN1CCC[C@@H]1C(=O)NC[C@H](O)CNC(=O)c1cc(C#N)c[nH]1 1399816061 GPDFRIGDWRHGRZ-DGCLKSJQSA-N 319.365 -0.813 30 20 DBED COC(=O)[C@H]1CN(C)CCN(C(=O)[C@H](C)n2cnc(C#N)n2)C1 1412254116 XAQSBYLXVOVIEG-QWRGUYRKSA-N 320.353 -0.726 30 20 DBED CCN(CCC#N)C(=O)CN[C@H](C)CNC(=O)c1cnccn1 1418198069 UOKTXPJYFXLJTO-GFCCVEGCSA-N 318.381 -0.053 30 20 DBED C=C(Br)CN[C@@H](C)CNC(=O)Cn1ncnn1 1419753735 XYEKTSSIUQPZOU-QMMMGPOBSA-N 303.164 -0.324 30 20 DBED C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCC[C@H](C#N)C1 1422218992 UHKIRZXBPDPSRU-NXEZZACHSA-N 319.365 -0.527 30 20 DBED C[C@@H](C#N)C(=O)N(C)C1CCN(C(=O)CS(C)(=O)=O)CC1 1427315184 XGMNEYKPCKWQAE-JTQLQIEISA-N 315.395 -0.360 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@@H]1CCN(C(=O)c2ccc(C(N)=O)[nH]2)C1 1429624989 YOCQRODJANTBBE-NXEZZACHSA-N 317.349 -0.054 30 20 DBED CS(=O)(=O)CC(=O)NCC1(NC(=O)c2c[nH]c(C#N)c2)CC1 1432150316 BLYDBDCWZFDRNL-UHFFFAOYSA-N 324.362 -0.690 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)C[C@H]2CCN(C)C2=O)CC1 1432292552 FTUAOYHHPFAHMG-WDEREUQCSA-N 306.366 -0.221 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@]1(C)CCN(C(=O)Cn2cncn2)C1 1432712944 ZPWUTLGYRSMNSO-SMDDNHRTSA-N 304.354 -0.207 30 20 DBED CCC(=O)NCC(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1OC 1445619064 NESXLGUTPMYEIC-HBNTYKKESA-N 310.354 -0.986 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@]2(CCN(CC(=O)NC(N)=O)C2)C1 1446357427 VRHXGPYMNVSPCY-QMTHXVAHSA-N 307.354 -0.735 30 20 DBED COCCn1nc(C(=O)NCC2(C#N)CCOCC2)ccc1=O 1457112312 ULJXMLRFLWZKBQ-UHFFFAOYSA-N 320.349 -0.060 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(N(CCO)CC(=O)N(C)C)CC1 1479750484 IVKMYGDSSSVJKH-LBPRGKRZSA-N 310.398 -0.480 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@H](NCC(=O)NC(C)C)C1 1480615964 RZPKYGHCXOWIRY-GJZGRUSLSA-N 320.437 -0.201 30 20 DBED C=C(Cl)CNC[C@@H](O)CN(C)C(=O)CCc1cnn[nH]1 1507504951 GZCCLUXNLFMOAY-LLVKDONJSA-N 301.778 -0.101 30 20 DBED COCCNC(=O)[C@@H](C#N)C(=O)Cc1nc(C2CC2)nn1C 1515174332 VZEJFVNYHMHMDY-JTQLQIEISA-N 305.338 -0.294 30 20 DBED C=CCCNC[C@H](O)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 1573335870 WGEDACAIFQOVOL-JTQLQIEISA-N 305.342 -0.549 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)CNC(=O)O)CC[C@H]1C 1573368282 LSBRHPCSIPIOKF-MNOVXSKESA-N 312.370 -0.475 30 20 DBED C#CC[C@@]1(C(=O)N(C)Cc2nnc3c(=O)[nH]ccn23)CCCN1 1574504355 HKDSIRVSIMRCGB-HNNXBMFYSA-N 314.349 -0.479 30 20 DBED COCC#CCNC[C@@H](C)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 1579620166 ZODBCDRAHPXILX-SNVBAGLBSA-N 317.353 -0.448 30 20 DBED C=C[C@H](NCC(=O)NCC(=O)NCc1ccccc1)C(=O)O 1588698325 ZSAIDZRGVWMAED-LBPRGKRZSA-N 305.334 -0.352 30 20 DBED C=CC[C@H](CO)NC(=O)C(=O)Nc1cnn(C(C)(C)C(=O)O)c1 1588744347 KEHMAEUWXQXHHA-SECBINFHSA-N 324.337 -0.306 30 20 DBED C=CCn1cc(C(=O)N2CC[C@@H](C(=O)OC)C[C@@H]2C(=O)O)nn1 1588910392 WKQOKMOHLMPWTF-MWLCHTKSSA-N 322.321 -0.058 30 20 DBED Cc1c(C#N)c(=O)n(Cc2cc(-c3nn[nH]n3)ccn2)c(=O)n1C 1591800160 XETMBEISRSZGNZ-UHFFFAOYSA-N 324.304 -0.650 30 20 DBED N#C[C@@]1(F)CCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)cn2)C1 1592670432 AEBFLLHTIWKAQQ-NSHDSACASA-N 323.313 -0.112 30 20 DBED C#CCN(CC(=O)OC(C)(C)C)[C@@H]1CCN(CC(=O)O)C1=O 1602700861 MAIGRVFBPPMSQE-LLVKDONJSA-N 310.350 -0.051 30 20 DBED C=CCN1CC[C@H](N(C)CC(=O)N[C@H](C(=O)O)C(C)C)C1=O 1602897895 GTEQHALTGSKGMD-AAEUAGOBSA-N 311.382 -0.070 30 20 DBED C=CCOC[C@@H](NC(=O)c1ccc(C(=O)NC)nc1)C(=O)O 1602913253 MHYJQGCNSFZUTH-LLVKDONJSA-N 307.306 -0.173 30 20 DBED CON(C)C(=O)[C@@H](C)Nc1cnc(-c2nn[nH]n2)c(C#N)n1 1605141308 OZELYJXEVQYYQV-ZCFIWIBFSA-N 303.286 -0.651 30 20 DBED CO[C@]1(C(=O)O)CCN(C(=O)C(=O)N2CCC[C@H](C#N)C2)C1 1606691196 KINMGYBYGYZQTA-QMTHXVAHSA-N 309.322 -0.549 30 20 DBED C#CCOCCC(=O)NS(=O)(=O)c1scnc1C(=O)O 1609162223 NRVJMEJWCCNREX-UHFFFAOYSA-N 318.332 -0.314 30 20 DBED N#C[C@H]1COCCN1CC(=O)Nc1nc(CC(=O)O)cs1 1610621198 ZXYRNWRJELFIBG-VIFPVBQESA-N 310.335 -0.067 30 20 DBED Cn1ncc(C(=O)N2CCCC[C@@H]2CNCC(=O)NCC#N)n1 1673124689 VFDGDKCFBXOQLN-LLVKDONJSA-N 319.369 -0.961 30 20 DBED C#CCNC(=O)[C@H](C)N(C)CCCNC(=O)c1cncn1C 1752012700 KBCJRWQGVNWXMA-LBPRGKRZSA-N 305.382 -0.390 30 20 DBED CC#CCNC[C@@H]1CCN(C(=O)CC[C@H]2NC(=O)NC2=O)C1 1752971900 IJAWRMMAWSWTDW-NWDGAFQWSA-N 306.366 -0.564 30 20 DBED CCN1CCOC[C@H]1C(=O)N(C)CCCNCC#CCOC 1754381364 CLZCEKZYFQJLFW-HNNXBMFYSA-N 311.426 -0.205 30 20 DBED C=CCN1CC[C@@H](N2CC(O)(CNC(=O)[C@@H]3C[C@H]3C)C2)C1=O 1754771969 SFWXMUWNGLLXKE-JHJVBQTASA-N 307.394 -0.408 30 20 DBED C=CCNC(=O)CN1CCC[C@@](CO)(NC(=O)CCOC)C1 1754851678 REAKAEDRXZEFSR-OAHLLOKOSA-N 313.398 -0.732 30 20 DBED C#CCCN1CCOC[C@H]1CNC(=O)CCCn1cncn1 1754973144 XBXNDTFITCSMLS-CQSZACIVSA-N 305.382 -0.101 30 20 DBED C#CCNC(=O)CNC1(CNC(=O)CN2CC[C@@H](C)C2)CCC1 1754987468 SUIZZGVRAZMFRS-CQSZACIVSA-N 320.437 -0.294 30 20 DBED C=CCOCC(=O)N1CCO[C@H](CN[C@@H]2CCN(C)C2=O)C1 1754994741 AFQNHYUGJQFNIY-CHWSQXEVSA-N 311.382 -0.763 30 20 DBED N#CCNCC1(O)CCN(C(=O)[C@H]2CCc3n[nH]cc3C2)CC1 1755154916 NVFXLJPWVUIIFM-LBPRGKRZSA-N 317.393 -0.019 30 20 DBED C#CCCCC(=O)N1CC[C@@]2(C1)CN([C@@H](C)C(N)=O)CCO2 1755400149 CUTRJFBISKZLOT-BBRMVZONSA-N 307.394 -0.033 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)CNC(C)=O)C(C)(C)C1 1755402862 BZAOVONABCRPAB-DGCLKSJQSA-N 324.425 -0.360 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(CNC(=O)COCC=C)[C@@H]2C1 1755419166 CWODDDLSZGFHBU-KBPBESRZSA-N 305.378 -0.768 30 20 DBED C=CCCCN[C@@H](CO)CNC(=O)[C@@H]1CCc2nnnn2CC1 1755639531 RVRCNPAXUFIRQE-CHWSQXEVSA-N 322.413 -0.342 30 20 DBED C#CCCN[C@H](CO)CNC(=O)[C@@]1(C)CCCS1(=O)=O 1755641759 IDFIMVGEQDIAFB-WCQYABFASA-N 302.396 -0.956 30 20 DBED C=CCCN[C@@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)[C@H]1C 1755666401 CQFSVZLRSNPCTJ-WDEREUQCSA-N 306.370 -0.468 30 20 DBED C#CCN1CC=C(CNC(=O)[C@@H](C)NS(=O)(=O)CC)CC1 1755888267 SINFEWPTUMSKIE-GFCCVEGCSA-N 313.423 -0.304 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H](CO)CNC(=O)/C=C(\C)C1CC1 1756506185 QBGWBFJYBKZENN-MNFCOICASA-N 308.378 -0.026 30 20 DBED C=C(C)CCC(=O)NC[C@@H](CO)NC(=O)[C@H]1CCCC(=O)N1 1756529336 XDYFTPAKVHMKOA-NWDGAFQWSA-N 311.382 -0.395 30 20 DBED C=CCCCC(=O)NC[C@@H](CO)NC(=O)c1ccc(=O)n(C)n1 1756546247 LNKOWHOZKGWXQZ-NSHDSACASA-N 322.365 -0.657 30 20 DBED C=CCCCC(=O)NC[C@@H](CO)NC(=O)[C@H]1CC(=O)N(C)C1 1756547020 ZUBZFHWTPOWYNZ-RYUDHWBXSA-N 311.382 -0.586 30 20 DBED C=C1CC(C)(C(=O)N2C[C@@H](OCC)[C@H](CNC(=O)C(N)=O)C2)C1 1757392497 HDBGZJJYQZDXBZ-VXGBXAGGSA-N 323.393 -0.192 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H]2CC[C@H]1[C@@H]1CN(C(C)=O)C[C@H]21 1757425905 YIIJPKCEOPGNQL-TUVASFSCSA-N 317.389 -0.159 30 20 DBED C[C@@H]1CN(c2nnc(Cn3cnc(C#N)n3)n2C)CCCO1 1772150767 ZKWQRSVQMUTXQR-SNVBAGLBSA-N 302.342 -0.058 30 20 DBED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1C[C@H]1F)CCO2 1783565833 RIKSJGIZHOMCSU-FIXISWKDSA-N 324.308 -0.738 30 20 DBED C[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC#N)C[C@@H]21 1791049180 CILWFNWVLVSKFY-VOAKCMCISA-N 309.366 -0.349 30 20 DBED N#CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cocn1 1794934454 VJAFJDNTKZBEIP-DDFAGTSDSA-N 304.306 -0.209 30 20 DBED N#CC1(C(=O)N2CC3(CCCN3C(=O)C3=NNC(=O)C3)C2)CC1 1844222954 CJRZYKGMELZXTK-UHFFFAOYSA-N 315.333 -0.631 30 20 DBED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(C)=O 1847263323 XLALKJHYZSFJNU-AIMRDXAKSA-N 319.361 -0.364 30 20 DBED C#CCNS(=O)(=O)c1cccc(C(=O)NCCC(=O)OC)c1 32989785 WREYXUOEPGYYMM-UHFFFAOYSA-N 324.358 -0.109 30 20 DBED C[C@H]1[C@@H](C)N(c2c(C#N)c(=O)n(C)c(=O)n2C)CC[S@@]1=O 76693364 ZBBNXFSIVJVWAC-KRNBLGIKSA-N 310.379 -0.699 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@H](N)CCSC)CC1 130995414 MGWAFPLFRFHPAE-GFCCVEGCSA-N 314.455 -0.487 30 20 DBED CC(=O)c1cn(CC(=O)N[C@](C)(C#N)C(C)C)c(=O)n(C)c1=O 134565232 YUSUVTLFXMMFFH-OAHLLOKOSA-N 320.349 -0.196 30 20 DBED COC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)c1cccc(C#N)c1 274026250 MDGWKJXZFQXDLD-LBPRGKRZSA-N 322.342 -0.030 30 20 DBED N#CC1(CS(=O)(=O)N2CC[C@@H](C(=O)O)[C@H](C(=O)O)C2)CC1 275168746 VCQDVIROFUZCQO-RKDXNWHRSA-N 316.335 -0.273 30 20 DBED COC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)CC(C)(C)C#N 278764381 KLKGNMCXOBVEOM-VIFPVBQESA-N 302.352 -0.275 30 20 DBED Cn1c(NC[C@H](CO)[C@H]2CCOC2)c(C#N)c(=O)n(C)c1=O 281143110 ZQVFODZEZYTODK-VHSXEESVSA-N 308.338 -0.987 30 20 DBED C[C@H]1CCCN(/C(N)=N/CCS(=O)(=O)N2CCOCC2)C1 303970777 CWKJVBKCSBGQMN-LBPRGKRZSA-N 318.443 -0.305 30 20 DBED CN1C(=O)CC[C@@H](NC(=O)c2cccc(C#CCO)c2)C1=O 316282125 HOZNHXBIIWGAJA-CYBMUJFWSA-N 300.314 -0.092 30 20 DBED C[C@@H](C(O)=Nc1ncccn1)N1CCN2C(=O)C(=O)NC[C@@H]2C1 330133963 MFFFZEHLHMHEJG-VHSXEESVSA-N 318.337 -0.904 30 20 DBED COCCn1ccc(N/C(O)=N/CC2(O)CCN(C)CC2)n1 330858598 JNSNLDHJQCTNPE-UHFFFAOYSA-N 311.386 0.312 30 20 DBED CC(C)(C)C[C@@H](CO)NS(=O)(=O)N1CCO[C@@H](C#N)C1 336880292 BZIZKXHLUZPBBL-QWRGUYRKSA-N 305.400 -0.158 30 20 DBED CNC(=O)Cn1nc(N[C@H](C)C(=O)NC2(C#N)CCC2)cc1C 345122660 CWFHNZPKGSGCRX-LLVKDONJSA-N 318.381 0.300 30 20 DBED COC(=O)CN(CC#N)C(=O)c1nc2nc(C)cc(C)n2n1 348795220 CMVWRTYCRDLPIM-UHFFFAOYSA-N 302.294 -0.120 30 20 DBED COC(=O)CN(CC#N)C(=O)CCCN1C(=O)CN(C)C1=O 348803497 XIAXDWOZFLKLEI-UHFFFAOYSA-N 310.310 -0.814 30 20 DBED N#CCNC(=O)CNC(=O)Nc1nnc(-c2ccco2)s1 348827362 NFMIMZRAOMWTFI-UHFFFAOYSA-N 306.307 0.559 30 20 DBED N#CCCCCS(=O)(=O)NCCCN1CCNC(=O)C1 352428229 OVIMAXBSQDQIRM-UHFFFAOYSA-N 302.400 -0.578 30 20 DBED C[C@H]1CN(S(=O)(=O)N(C)CCC#N)C[C@@H](C)S1(=O)=O 352600618 SSOXYZFCHHWLAA-AOOOYVTPSA-N 309.413 -0.416 30 20 DBED COC(=O)C1=NC2=NS(=O)(=O)c3ccccc3N2N1CC#N 359912332 ZTOUFINAFFWVIH-UHFFFAOYSA-N 319.302 -0.123 30 20 DBED C=CCn1cc(CNC(=O)CS(=O)(=O)N(CC)CC)nn1 424910342 YWFKGMWCSPNUFV-UHFFFAOYSA-N 315.399 -0.248 30 20 DBED C=CCn1c(C)nnc1S(=O)(=O)CC(=O)NCCCOC 438747334 SJUZVWZTQQMVOB-UHFFFAOYSA-N 316.383 -0.301 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)Cc2cnn(C)c2C)CC1 491070642 DONHFTWKSIIWMS-UHFFFAOYSA-N 317.393 -0.835 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2ccnc(F)c2F)CC1 491523277 CTPUXXCYIQJONB-UHFFFAOYSA-N 322.315 -0.133 30 20 DBED CNS(=O)(=O)C[C@H]1CCCN1S(=O)(=O)CCCC#N 494787319 ZJSDQYIPTGABHR-SNVBAGLBSA-N 309.413 -0.366 30 20 DBED COC(=O)c1cccc(Cn2c(=O)c(C#N)cn(C)c2=O)n1 520497404 PCFSABJUCZBSFU-UHFFFAOYSA-N 300.274 -0.351 30 20 DBED N#Cc1cccc(NC(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)n1 564942194 JDVWSIRCIVUUCZ-SECBINFHSA-N 300.278 -0.279 30 20 DBED C[C@@H]1CCN(C(=O)C(=O)N2CCO[C@H](C#N)C2)C[C@H]1C(=O)O 577394437 ARRLGZCKUWKYPU-GMTAPVOTSA-N 309.322 -0.693 30 20 DBED C[C@@H](O)C[C@H]1COCCN1C(=O)C(=O)Nc1cccc(C#N)n1 582180283 HPDHRVNDSFZMEL-PWSUYJOCSA-N 318.333 -0.110 30 20 DBED C[C@H]1CO[C@H](C)CN1CCNc1c(C#N)c(=O)n(C)c(=O)n1C 596431739 QEOMVGBKEDECOO-WDEREUQCSA-N 321.381 -0.523 30 20 DBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H]1CCNC1=O 597373277 CINCCJUBXPLKPW-WDEREUQCSA-N 314.349 -0.479 30 20 DBED O=C(NCC#Cc1ccccc1)C(=O)N1CCO[C@@H](C(=O)O)C1 643152862 PRCOLBPXUQUUHM-CYBMUJFWSA-N 316.313 -0.534 30 20 DBED C=C[C@H](CO)N[C@H](C)C(=O)N(CC)[C@@H]1CCS(=O)(=O)C1 662168045 XLCNMRWCYHDGIY-IJLUTSLNSA-N 304.412 -0.453 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(CN(C)C2CCC2)c1=O 742170696 XFKHZHPWFBQQQN-UHFFFAOYSA-N 306.366 -0.015 30 20 DBED C#CCNC(=O)COC(=O)CCN1C(=O)NC2(CCCC2)C1=O 749972904 RSOCOTVNPABUFI-UHFFFAOYSA-N 321.333 -0.466 30 20 DBED C#CCCCNC(=O)NCCNS(=O)(=O)Cc1ccon1 750286537 CWPBHBBVIPSGLA-UHFFFAOYSA-N 314.367 -0.193 30 20 DBED C#CCOCCC(=O)N(CCN(C)C)[C@H]1CCS(=O)(=O)C1 755952903 ZINHQAUZMMQGBT-ZDUSSCGKSA-N 316.423 -0.396 30 20 DBED C#CCOCCNC(=O)[C@@H](CCSC)NS(=O)(=O)CC 784591171 FRBQVTIESYFLOH-LLVKDONJSA-N 322.452 -0.187 30 20 DBED C#CCN1CCN(C(=O)[C@](C)(O)Cn2c(C)cccc2=O)CC1 792173867 YPKFRISWFRUXEW-QGZVFWFLSA-N 317.389 -0.315 30 20 DBED N#CCC1(O)CN(C(=O)[C@@H]2Nc3ccccc3S(=O)(=O)N2)C1 793870817 WXILBTCSBCGDFI-LLVKDONJSA-N 322.346 -0.797 30 20 DBED COC(=O)CNC(=O)CNC(=O)/C=C\c1ccccc1C#N 819603633 RVRQDFSXMWVKKF-SREVYHEPSA-N 301.302 -0.023 30 20 DBED C[C@@](C#N)(CC(=O)O)C(=O)NCC1(CS(C)(=O)=O)CC1 819833291 FSAQYPNZTBNZLC-NSHDSACASA-N 302.352 -0.068 30 20 DBED C[C@](C#N)(CC(=O)O)C(=O)NCCCN1CCC[C@H](C(N)=O)C1 819834018 LMKKORBLDITIFK-XHDPSFHLSA-N 324.381 -0.305 30 20 DBED C#CCCN(CCOC)C(=O)N[C@H]1CS(=O)(=O)C[C@H]1OC 821141502 QGQHGVICSAHILA-NWDGAFQWSA-N 318.395 -0.520 30 20 DBED C#CCCCNC(=O)C(=O)N1CC[C@@H](CN2CCCC2=O)C1 828391071 GNXGFYJHUYISHH-ZDUSSCGKSA-N 305.378 -0.013 30 20 DBED CCN(CCC#N)C(=O)COC(=O)Cn1cc(C(=O)OC)cn1 859972288 HQBRGWMPBZYBDV-UHFFFAOYSA-N 322.321 -0.025 30 20 DBED Cc1ccc(S(N)(=O)=O)cc1C(=O)NCC#CCN(C)C 913515055 GWCPQVLZACOSRM-UHFFFAOYSA-N 309.391 -0.063 30 20 DBED C#CCNC(=O)[C@@H](C)OC(=O)CCN1CCCS1(=O)=O 919437281 VGHXPOCOJIBGHG-SNVBAGLBSA-N 302.352 -0.907 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCOC[C@H]1COC)[C@H]1CCCO1 930466955 MYGSKWZIDMQKKA-FRRDWIJNSA-N 310.350 -0.843 30 20 DBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CCN(C(=O)C(N)=O)C1 940688781 UWBPQLLVAOBODE-WOPDTQHZSA-N 309.366 -0.440 30 20 DBED CCN(C(=O)c1nnn(C)n1)[C@H]1CCN(C(=O)[C@@H](C)C#N)C1 942917236 HWUVVYMRBOBFEX-UWVGGRQHSA-N 305.342 -0.567 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CCCCN(C(=O)C(N)=O)C2)[nH]1 943191712 ZTAIPJPAPASPHE-SNVBAGLBSA-N 303.322 -0.517 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@H](CNC(=O)C2CCN(C)CC2)C1 944656103 YSXOAXVREXGXCB-TZMCWYRMSA-N 322.409 -0.169 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(NC(=O)[C@@H]2CN(C)C(=O)N2)CC1 948110394 YADUKABKXOVTOZ-ONGXEEELSA-N 307.354 -0.723 30 20 DBED Cn1cc(C(=O)NC[C@@H]2CCN2C(=O)C#CC2CC2)n(C)c1=O 950629420 DXPKRJQFZSTWQF-LBPRGKRZSA-N 316.361 -0.532 30 20 DBED COc1nn(C)cc1C(=O)NC[C@H]1CCN1C(=O)[C@H](C)C#N 951456758 BKPZYNBERIGHDV-NXEZZACHSA-N 305.338 -0.081 30 20 DBED C[C@H](C#N)C(=O)N1CC(N(C)C(=O)c2cn(C)c(=O)n2C)C1 954557591 PKTIMCQIXGLVNG-SECBINFHSA-N 305.338 -0.834 30 20 DBED COCCn1ccc(C(=O)N(C)C2CN(C(=O)[C@H](C)C#N)C2)n1 954888683 XYGGHCUESTZAIM-LLVKDONJSA-N 319.365 -0.028 30 20 DBED C=C1CC(C)(C(=O)N2CC(N(C)C(=O)c3nnn(C)n3)C2)C1 955030617 QKLMWBGLLKPOMV-UHFFFAOYSA-N 304.354 -0.151 30 20 DBED C#CCN1C[C@H](CNC(=O)c2cc(C3CC3)n(C)n2)[C@@H](O)C1 958121872 MZNMDFGPMKSISD-WFASDCNBSA-N 302.378 -0.047 30 20 DBED COCc1cncc(C(=O)NC[C@H]2CN(CC#N)C[C@@H]2O)c1 958156613 JRDVKUOCSKXOFA-KBPBESRZSA-N 304.350 -0.226 30 20 DBED CC#CCN1C[C@H](CNC(=O)c2cn(C)nc2OC)[C@@H](O)C1 958308913 CTWBLDFMZQUJPJ-AAEUAGOBSA-N 306.366 -0.526 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](NC(=O)c2cncnc2O)[C@H](C)C1 958376482 UZDPQSBBHVWVPQ-IQJOONFLSA-N 303.322 -0.081 30 20 DBED C#CCCN1C[C@@H](O)[C@@H](CNC(=O)c2cc(COC)on2)C1 958459406 PNOSUFQDHLODQK-SMDDNHRTSA-N 307.350 -0.133 30 20 DBED CN(C)C(=O)CN1C[C@H]2C(NC(=O)c3cc(C#N)c[nH]3)[C@@H]2C1 958500454 QKTXVFMYEJMYNC-GHMZBOCLSA-N 301.350 -0.365 30 20 DBED C#CCCN1C[C@H]2[C@H](NC(=O)CN3C(=O)CC(C)(C)C3=O)[C@H]2C1 959888912 BKRUALJVRKKQES-JYAVWHMHSA-N 317.389 -0.159 30 20 DBED CC(F)(F)C(=O)N[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1O 961163493 SDHXFZRQFKZCNY-ZJUUUORDSA-N 312.276 -0.157 30 20 DBED Cn1cncc1C(=O)NC[C@@H]1COCCN1C(=O)C#CC1CC1 964252934 HAJOYPUEIASQKK-CYBMUJFWSA-N 316.361 -0.209 30 20 DBED N#Cc1cc(C(=O)N2CCC[C@H](NC(=O)C(N)=O)CC2)c[nH]1 965133810 UJZAXTSLSQXRCX-JTQLQIEISA-N 303.322 -0.517 30 20 DBED C=CCN1CC[C@@H](C)[C@H](NC(=O)CN2CCC(=O)NC2=O)C1 968514930 ZXPWVNIFMWLFQM-VXGBXAGGSA-N 308.382 -0.059 30 20 DBED C#CCN(C)[C@H]1CCN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 972567638 IYEOCLWETZEKPK-NSHDSACASA-N 314.349 -0.763 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)C[C@@H]3CCC(=O)NC3)[C@H]2C1 976630261 WYKPUTJPVUSPJQ-TVEHIPJCSA-N 318.377 -0.365 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)[C@]3(C)CCC(=O)N3)[C@H]2C1 977137189 DHBXZXDLOOKINL-HGBDMZGYSA-N 304.350 -0.612 30 20 DBED CNC(=O)CN1C[C@H]2C(CNC(=O)c3c[nH]c(C#N)c3)[C@@H]2C1 978027810 IAJOBCODDCQCPZ-STQMWFEESA-N 301.350 -0.460 30 20 DBED C=CCN1C[C@H]2[C@H](CNC(=O)[C@@H]3CCN(C)S3(=O)=O)[C@H]2C1 978852499 GYCHIZPOZHGDMA-RVMXOQNASA-N 313.423 -0.500 30 20 DBED C[C@@H]1[C@@H](NC(=O)[C@@H]2CCNC2=O)CCN1C(=O)C#CC1CC1 989242571 GDIHHBYUINWZSJ-RTXFEEFZSA-N 303.362 -0.359 30 20 DBED CSCC(=O)N1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@H](O)C1 991400621 JHZCKNUKEBYOQJ-VXGBXAGGSA-N 322.390 -0.059 30 20 DBED O=C(N[C@H]1CCN(C(=O)C#CC2CC2)C[C@H]1O)c1cnco1 991648490 WPHJCWDUCLLIJB-NWDGAFQWSA-N 303.318 -0.220 30 20 DBED C#CCN1CC[C@]2(NC(=O)c3cnc(O)n(C)c3=O)CCC[C@@H]12 992100622 RROHIOGODQBQEK-MLGOLLRUSA-N 316.361 -0.154 30 20 DBED O=C(NC1CN(C(=O)C#CC2CC2)C1)[C@H]1CCCS1(=O)=O 992542291 MATNRFAXOGMKSL-GFCCVEGCSA-N 310.375 -0.696 30 20 DBED C=C1CCC(C(=O)NC2CN(C(=O)[C@@H]3CNC(=O)N3)C2)CC1 999093309 NWITZVGJIJVYML-LBPRGKRZSA-N 306.366 -0.259 30 20 DBED CCCN1C[C@@H](C(=O)NCC2CN(C(=O)[C@@H](C)C#N)C2)CC1=O 1001927040 GLAMCGLIEBYSLK-AAEUAGOBSA-N 320.393 -0.021 30 20 DBED CC#CCN1CCC(CNC(=O)C2CC(=O)NC(=O)C2)CC1 1001935578 WQKITWMCSCLKCN-UHFFFAOYSA-N 305.378 -0.109 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCCN(CC(=O)N(C)C)C2)nn1 1008792884 GSGKNCQMRAFWIT-GFCCVEGCSA-N 320.397 -0.254 30 20 DBED C[C@H]1C[C@@H](NC(=O)Cn2ncnn2)CN1C(=O)C#CC1CC1 1012591997 YFWGWLYOSNYCCE-CMPLNLGQSA-N 302.338 -0.808 30 20 DBED C=CCCn1cc(C(=O)N2C[C@H](NC(=O)C(N)=O)C[C@@H]2C)nn1 1012727572 IMXLKXHAPZCZHY-VHSXEESVSA-N 320.353 -0.941 30 20 DBED C#CCCN1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1c(O)nnc1O 1018217315 BKTGFODOUCXNHP-PHIMTYICSA-N 305.338 -0.612 30 20 DBED O=C(NC[C@H]1CN(C(=O)C#CC2CC2)CCCO1)c1cnn[nH]1 1019619716 XGAGGBHIFIGKEQ-LBPRGKRZSA-N 317.349 -0.435 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)CN2CCOCC2=O)[C@@H]1C 1020537292 QCHWIRHHHVAUSL-SRVKXCTJSA-N 322.365 -0.890 30 20 DBED C=C(C)CN1CCC[C@@H](CNC(=O)c2cn(CC(N)=O)nn2)C1 1023761910 MCSSKYSCPIAIFO-LBPRGKRZSA-N 320.397 -0.219 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCN(C)C2=O)C1 1025142923 KBBVUEXAHTYMEQ-IJLUTSLNSA-N 323.393 -0.635 30 20 DBED C[C@H](NC(=O)c1cn(CC(N)=O)nn1)[C@@H]1CCCN(CC#N)C1 1025630106 PAAFRTBSRMXORJ-WDEREUQCSA-N 319.369 -0.883 30 20 DBED CC#CCN1CC[C@@H](N(C)C(=O)[C@@H]2CN(C(C)=O)CCO2)C1 1033629768 DNHHXRZYJABKBD-CABCVRRESA-N 307.394 -0.210 30 20 DBED C=CCCn1cc(C(=O)N[C@@H]2CCCCN(CC(N)=O)C2)nn1 1034433948 UOWDWJMCDBKUHU-GFCCVEGCSA-N 320.397 -0.076 30 20 DBED C=C(C)CN1CCO[C@@H](CNC(=O)[C@@H]2CCCS2(=O)=O)C1 1035611310 RRYGRZUNOVTSLT-STQMWFEESA-N 316.423 -0.043 30 20 DBED C#CCN1CCC(C(=O)NC[C@@H]2CN(C[C@@H](C)O)CCO2)CC1 1035612782 BIRJGDVBDXQFIO-GDBMZVCRSA-N 323.437 -0.471 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@]1(O)CCN(C(=O)CSC)C1 1039720645 CRUQWVUWPVEBAR-RISCZKNCSA-N 314.407 -0.533 30 20 DBED C=CCCOCC(=O)NC[C@@]1(O)CCN(C(=O)COC)C1 1040156757 NFXKEXMNRGTEKT-AWEZNQCLSA-N 300.355 -0.695 30 20 DBED Cc1c[nH]nc1C(=O)N1CC[C@@](O)(CNC(=O)[C@@H](C)C#N)C1 1040763227 NYQOBWGSOHKHAO-LKFCYVNXSA-N 305.338 -0.429 30 20 DBED Cc1ncc(C(=O)N[C@@H]2CN(c3ccncc3C#N)C[C@H]2O)[nH]1 1040952634 YHOYYBVWBBUGKQ-TZMCWYRMSA-N 312.333 -0.036 30 20 DBED Cc1c[nH]c(C(=O)N[C@@H]2CN(c3cncc(C#N)n3)C[C@H]2O)n1 1041378339 TVSXGEWTSBFPCX-GHMZBOCLSA-N 313.321 -0.641 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)COCC(F)F)C1 1042052127 CFQPXODXDZEIND-UHFFFAOYSA-N 322.308 -0.840 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(O)CN(C(=O)[C@@H](C)OCC)C1 1042806370 GBCNHLSTCJUKNH-RISCZKNCSA-N 314.382 -0.572 30 20 DBED C=CC(C)(C)CC(=O)N1CC(O)(CNC(=O)[C@H]2CCNC2=O)C1 1044441371 AYWYLVLFYDCXFU-NSHDSACASA-N 323.393 -0.586 30 20 DBED CCc1nc[nH]c1C(=O)N1CC(O)(CNC(=O)[C@@H](C)C#N)C1 1045545796 BZIPMDJMVKPNTG-VIFPVBQESA-N 305.338 -0.565 30 20 DBED C=CCN1CCC(C)(NC(=O)[C@H]2CCS(=O)(=O)N2)CC1 1045642882 QUTFIPAPBLJUTH-LLVKDONJSA-N 301.412 -0.165 30 20 DBED C=CCCN1CC[C@H](N2CCN(C(=O)[C@@H]3CNC(=O)N3)CC2)C1 1046058973 WRFYDYBQHDPVLH-KBPBESRZSA-N 321.425 -0.538 30 20 DBED C#CCN1CC[C@@H](N2CCN(C(=O)Cn3cncn3)CC2)C1 1046080667 AZYROXKNFSSZBN-CQSZACIVSA-N 302.382 -0.870 30 20 DBED C#CCN1CC[C@H](N2CCN(C(=O)[C@@H]3CCN(C)C3)CC2)C1 1046082999 ZVVFPNPXDBPOGK-CVEARBPZSA-N 304.438 -0.210 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccoc2CC(N)=O)C1 1047504243 HQNNMDLVZLNQEU-RYUDHWBXSA-N 305.334 -0.942 30 20 DBED N#Cc1nc(=N[C@@H]2CC[C@H](CNC(=O)c3cnn[nH]3)C2)cc[nH]1 1047591598 AETFEWOTQVVROR-VHSXEESVSA-N 312.337 -0.101 30 20 DBED CC(C)C#CC(=O)N(C)[C@H]1CN(C(=O)c2cnn[nH]2)C[C@@H]1O 1048807824 SAQKHUKAVQIYGR-RYUDHWBXSA-N 305.338 -0.892 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H]2[C@@H]1CCN2Cc1nnn(C)n1 1049382463 ODCKSDYHRFFMHN-UTUOFQBUSA-N 303.370 -0.065 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)CC2CCOCC2)C[C@@H]1O 1049389272 WEWGNWVNDNWRNO-UBHSHLNASA-N 323.393 -0.007 30 20 DBED Cn1cc(C(=O)N2CCC[C@@H]3[C@@H]2CCN3CC#N)n(C)c1=O 1049918607 RSJWCJMRTRLZMM-NEPJUHHUSA-N 303.366 -0.074 30 20 DBED C=CCOCC(=O)N1CC[C@@H]([C@H](C)NC(=O)c2cnnn2C)C1 1050297645 OFDDCODCUYQTON-NWDGAFQWSA-N 321.381 -0.016 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)c1cc2c(cn1)OCCO2 1050958796 VYFQQWVLZXORCA-GFCCVEGCSA-N 317.345 -0.083 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@H]1COCCN1CC#CC 1050962681 NYLIGMHGGMIWFE-CVEARBPZSA-N 303.406 -0.076 30 20 DBED N#CCN1CCOC[C@H]1CNC(=O)[C@@H]1CCc2nccn2C1 1050988549 GTGDJRMMZVNBGX-CHWSQXEVSA-N 303.366 -0.214 30 20 DBED N#CCN1CCOC[C@@H]1CNC(=O)c1cccnc1C(N)=O 1051254909 OJIPEXNVOAMIGS-JTQLQIEISA-N 303.322 -0.865 30 20 DBED N#Cc1nccnc1N1CC[C@H](NC(=O)c2cocn2)[C@H](O)C1 1051637321 HPCBUUNBNMAJQS-JOYOIKCWSA-N 314.305 -0.294 30 20 DBED N#CCN1CCN([C@H]2CCN(C(=O)CCn3cncn3)C2)CC1 1051980565 ILIZXPQMHGKYDG-AWEZNQCLSA-N 317.397 -0.590 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)c1nccnc1N)CCO2 1053194981 HWKKZTCUEISZHS-UHFFFAOYSA-N 301.350 -0.391 30 20 DBED Cn1cc(C(N)=O)cc1C(=O)N1CCOC2(CN(CC#N)C2)C1 1053326905 OEOIFMWRJXZKEG-UHFFFAOYSA-N 317.349 -0.826 30 20 DBED C#CCCN1CC2(CC[C@@H](CNC(=O)[C@@H]3CN(C)C(=O)N3)O2)C1 1053643113 VCQSMRYFMZBEDS-STQMWFEESA-N 320.393 -0.617 30 20 DBED C=C(C)CN1CC2(C[C@H](NC(=O)C3CC(=O)NC(=O)C3)CO2)C1 1053955783 SEFBXKFWHITZAM-LBPRGKRZSA-N 321.377 -0.425 30 20 DBED C[C@@H](C#N)C(=O)N[C@]1(CO)CCCN(C(=O)c2cncn2C)C1 1056096858 LCQQZLXUHQBISJ-XHDPSFHLSA-N 319.365 -0.337 30 20 DBED Cn1cncc1C(=O)NC1[C@H]2CN(c3nccnc3C#N)C[C@H]12 1056335377 GXYKYENQQFRGKT-UWVGGRQHSA-N 309.333 -0.054 30 20 DBED CN(c1ncccc1C#N)[C@@H]1CCN(C(=O)Cn2ncnn2)C1 1056967612 FNGJSDPCDXTZQH-GFCCVEGCSA-N 312.337 -0.323 30 20 DBED CN(c1nccnc1C#N)[C@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 1057033207 MRPRSWUUDAEWDL-AXFHLTTASA-N 314.349 -0.493 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)[C@H](C)n1cccn1 1057050108 YOLMDNZPAMFXKL-RYUDHWBXSA-N 307.354 -0.459 30 20 DBED Cn1ncc(C(=O)N2CCC(N=c3cc[nH]c(C#N)n3)CC2)n1 1057345807 UOTNQXKNCOTJER-UHFFFAOYSA-N 312.337 -0.385 30 20 DBED N#Cc1nccc(N2CCC[C@H](NC(=O)Cn3cnnn3)C2)n1 1058118774 PGDLSAIRCOIYOR-JTQLQIEISA-N 313.325 -0.880 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)C[C@H]1CCCC(=O)N1 1058652861 GUGDXGYJJOHSHS-VXGBXAGGSA-N 324.381 -0.858 30 20 DBED Cn1nncc1C(=O)NC[C@@H]1CCCN1c1nccnc1C#N 1061353063 CRDJLBDEKUXDBY-JTQLQIEISA-N 312.337 -0.124 30 20 DBED C=CCOCC(=O)NC[C@H]1COCCN1C(=O)[C@H](C)OCC 1061421765 UTWFLSVNZUPCCU-STQMWFEESA-N 314.382 -0.042 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@H]1COCCN1C(=O)COCC 1061538448 OHLVXOPWWOIEOV-IUODEOHRSA-N 314.382 -0.306 30 20 DBED Cn1cnc(C(=O)NC[C@@H]2CCN(c3ccc(C#N)nn3)C2)n1 1061582830 KMCGKCJQGYKUJE-JTQLQIEISA-N 312.337 -0.267 30 20 DBED N#Cc1ccc(N2[C@H]3CC[C@H]2CN(C(=O)CC(N)=O)C3)nn1 1061938950 NODKLFNPMCRQMB-QWRGUYRKSA-N 300.322 -0.597 30 20 DBED N#Cc1ccc(N2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2COC(=O)N2)cn1 1062481415 NWYCVABZPVLHNS-RWMBFGLXSA-N 313.317 -0.149 30 20 DBED N#Cc1nccnc1N1CC[C@@H]2CN(C(=O)CC(N)=O)CC[C@@H]21 1064002123 ZSGZXGOAXKIRBV-PWSUYJOCSA-N 314.349 -0.349 30 20 DBED CC(=O)N1CC(C(=O)NC2(CNC(=O)[C@@H](C)C#N)CCC2)C1 1064302954 XNGAERHLMJNKQK-JTQLQIEISA-N 306.366 -0.221 30 20 DBED C=CCCC(=O)N1CCO[C@H](CNC(=O)C(=O)NCC2CC2)C1 1064957421 JFIGXNIEOZRRGV-CYBMUJFWSA-N 323.393 -0.178 30 20 DBED Cc1ccnn1CC(=O)N1CCO[C@H](CNC(=O)[C@@H](C)C#N)C1 1065162136 VHYUGLQKQJTRML-WCQYABFASA-N 319.365 -0.305 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)Cc2cncn2C)C1 1065556920 LIWLFOACUGEKNF-YPMHNXCESA-N 319.365 -0.534 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H]1CCCN(C(=O)CNC(C)=O)CC1 1066166809 OVROMKOXOSJDOZ-OCCSQVGLSA-N 323.393 -0.342 30 20 DBED C=CCCC(=O)N1CC2(C1)CN(C(=O)C1(C(N)=O)CC1)CCO2 1068447879 YQGKMDLQJVNOQJ-UHFFFAOYSA-N 321.377 -0.342 30 20 DBED CC#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2cnco2)C1 1069992639 MTILJWUFCXOGPG-NEPJUHHUSA-N 300.322 -0.055 30 20 DBED Cc1cncn1CC(=O)N1C[C@H](n2ccnn2)[C@H](NCC#N)C1 1070234969 QXFOHXMOKRPORA-OLZOCXBDSA-N 314.353 -0.652 30 20 DBED N#CCN1CCN([C@H]2CCCN(C(=O)[C@H]3CCCO3)C2)C(=O)C1 1071253362 KHRDAARLEKNZKY-UONOGXRCSA-N 320.393 -0.176 30 20 DBED C=CCOCC(=O)N1C[C@H](C)[C@@H](NC(=O)c2cnnn2C)C1 1071809457 VBLLXWMHCOVPNP-QWRGUYRKSA-N 307.354 -0.406 30 20 DBED C=CCCC(=O)N[C@H]1CN(C(=O)Cn2cnnc2O)C[C@H]1C 1071943984 UTLBUVXMDWEKAT-MNOVXSKESA-N 307.354 -0.087 30 20 DBED C=CC(C)(C)C(=O)N[C@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1C 1072535344 VZYPBLMHDAWJKN-ZJUUUORDSA-N 306.370 -0.001 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2CN(C[C@@H](C)O)CCCO2)nn1 1073807378 NRSKMHVCEJAHOE-CHWSQXEVSA-N 323.397 -0.334 30 20 DBED C#CCCN1CCCO[C@@H](CNC(=O)c2cc(C(N)=O)c[nH]2)C1 1073836334 AZWQQSYDNKBUCR-ZDUSSCGKSA-N 318.377 -0.042 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3cncn3C2)C1 1077260778 VOZHPWMVDLXAAL-NWANDNLSSA-N 302.378 -0.370 30 20 DBED C=CCCC(=O)N[C@@H](C)CCNC(=O)Cn1nc(C)n(C)c1=O 1077814762 VEUWNMSMIOGPDB-NSHDSACASA-N 323.397 -0.133 30 20 DBED C#CCOCCC(=O)N[C@@H](C)CCNC(=O)[C@@H]1CCC(=O)N1C 1077880684 MDCXTIAOFRBZMQ-STQMWFEESA-N 323.393 -0.342 30 20 DBED CCN(C(=O)Cn1cnnn1)C1CN(C(=O)C#CC(C)(C)C)C1 1079288754 VAPGNESEBQFCGT-UHFFFAOYSA-N 318.381 -0.218 30 20 DBED C#CCOCCC(=O)N(CC)C1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 1079773517 NZIQQDDRXLUQFZ-OLZOCXBDSA-N 321.377 -0.793 30 20 DBED CCN(C(=O)CCNC(=O)COC)C1CN(C(=O)[C@@H](C)C#N)C1 1079917830 QRRLAGLKSBDXCR-NSHDSACASA-N 324.381 -0.642 30 20 DBED C=CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)Cn2nccn2)C1 1079981424 QVXPEDLQUANRNW-GFCCVEGCSA-N 321.381 -0.072 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)Cc2cc[nH]n2)C[C@H]1O 1081332915 MOYWOFNLKMWYPW-WCQYABFASA-N 306.366 -0.146 30 20 DBED C#CCCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2ccn(C)n2)C1 1081495755 AKZGAZVESGTNFY-TZMCWYRMSA-N 318.377 -0.227 30 20 DBED C=C(C)CCC(=O)N1C[C@H](CNC(=O)Cn2nccn2)[C@@H](O)C1 1081519827 LHQZJTSBXSCYDC-STQMWFEESA-N 321.381 -0.430 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)C[C@@H]1CCN(C)C1=O 1083114566 MZIORLRHKQTPBJ-SOUVJXGZSA-N 319.405 -0.210 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cccc2ncnn12 1083132539 ANKYUFBSUATDIV-QWHCGFSZSA-N 312.333 -0.222 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)Cn1ccccc1=O 1083271260 ZPBIMOYDBPEAMU-LSDHHAIUSA-N 315.373 -0.217 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2ccc(Cn3ccnn3)o2)C1 1083661913 RCINAZVMYXTFFZ-OLZOCXBDSA-N 315.333 -0.673 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCc3n[nH]cc3C2)C1 1083949182 VHDBYJBDICRWMZ-GLQYFDAESA-N 302.378 -0.301 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)CN3C(=O)CN(C)C3=O)C[C@@H]2C1 1088193949 FJZCQSMUCICMJY-OLZOCXBDSA-N 318.377 -0.706 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2cccc3ncnn23)[C@@H](O)C1 1090402414 HQPUXAKVLLGFSR-JSGCOSHPSA-N 313.361 -0.082 30 20 DBED Cc1cc(C#N)nc(N2C[C@@H](O)[C@H](NC(=O)C#CC(C)C)C2)n1 1090411013 MNUFZULROJJSBZ-ZIAGYGMSSA-N 313.361 -0.018 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2CCN(CCOC)C[C@H]2O)c1 1090558077 CGVCGDIQTGNNOM-HUUCEWRRSA-N 303.362 -0.126 30 20 DBED C#CCOc1ncccc1C(=O)N[C@H]1CCN(CCO)C[C@H]1O 1090738225 XBJLTCNAMGZFNY-UONOGXRCSA-N 319.361 -0.749 30 20 DBED CC(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nccnc1C#N 1092797284 NITGQCNUPXCHCP-MDZLAQPJSA-N 314.349 -0.290 30 20 DBED CCc1nc(C#N)cc(NCCNC(=O)[C@H]2COCCO2)n1 1093486100 YCRZOGLHZALWCF-LLVKDONJSA-N 305.338 -0.146 30 20 DBED C#CCN1CC(OC2CCN(C(=O)[C@@H]3CN(C)C(=O)N3)CC2)C1 1093560264 HANVOFYHNQHLCP-AWEZNQCLSA-N 320.393 -0.665 30 20 DBED N#Cc1nc(=NCCNC(=O)c2nc3ncccn3n2)cc[nH]1 1093815046 NMJZTDZHQCAVDG-UHFFFAOYSA-N 309.293 -0.950 30 20 DBED Cn1cnn(CC(=O)NCCNc2ccc(C#N)nc2)c1=O 1093963776 UVSSNYCQONIZHB-UHFFFAOYSA-N 301.310 -0.923 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)c3c[nH]nc3C)CC2=O)C1 1094767926 KZNJZXBPRSVZMP-LLVKDONJSA-N 301.350 -0.634 30 20 DBED CN(CCCNC(=O)[C@@H]1CCNC1=O)c1nccnc1C#N 1095696573 GCHSPZOZBVTNSQ-JTQLQIEISA-N 302.338 -0.573 30 20 DBED CCC(=O)N(C)CC(=O)N1CCN(c2ccc(C#N)nn2)CC1 1096909138 LFYCDLYENASPKM-UHFFFAOYSA-N 316.365 -0.135 30 20 DBED COCCOCC(=O)N1CC[C@H](N=c2cc[nH]c(C#N)n2)C1 1096930991 RRKYGDZSERLGLF-NSHDSACASA-N 305.338 -0.554 30 20 DBED N#Cc1cncc(N[C@H]2C[C@@H](NC(=O)C(=O)NCC(F)F)C2)n1 1097229115 MTADUIOGNVJQJW-OCAPTIKFSA-N 324.291 -0.211 30 20 DBED CNC(=O)C1(C(=O)NC[C@@H](C)N=c2cc[nH]c(C#N)n2)CC1 1097938312 HIIATLVUXAMXCR-SECBINFHSA-N 302.338 -0.787 30 20 DBED C[C@@H](CNC(=O)CCN1CCOCC1)Nc1cncc(C#N)n1 1097945873 XYHAWBQLXRKEKG-LBPRGKRZSA-N 318.381 -0.013 30 20 DBED CC(=O)N[C@@H](C(=O)NC[C@@H](C)N=c1cc[nH]c(C#N)n1)C(C)C 1097967933 HXTLVUVBQWBCKM-QMTHXVAHSA-N 318.381 -0.153 30 20 DBED Cc1nc(O)nc(O)c1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC#N 1098094013 NFCMIGSADCRPMG-JLLWLGSASA-N 317.349 -0.016 30 20 DBED Cc1cc(C#N)nc(N[C@@H](C)CNC(=O)c2nnn(C)n2)n1 1098200592 ZTPJIBYSENCAMF-QMMMGPOBSA-N 301.314 -0.589 30 20 DBED C[C@@H](C(=O)NC[C@@H](C)Nc1cncc(C#N)n1)S(C)(=O)=O 1098392719 JCIZDDSTEHZKKP-BDAKNGLRSA-N 311.367 -0.302 30 20 DBED C=CCN(CCO)C1CCN(C(=O)c2cn(C)c(=O)n2C)CC1 1098575061 AOZKEYVMQCFTBL-UHFFFAOYSA-N 322.409 -0.191 30 20 DBED C[C@H]1CN(C(=O)Cn2nccn2)CC2(CCN(CC#N)CC2)O1 1098603727 VUBWSSMLKLVPMG-ZDUSSCGKSA-N 318.381 -0.116 30 20 DBED N#CCSCC(=O)N[C@@H]1CCN(Cc2ccon2)C[C@H]1O 1099686484 GLEDUEIKTHNVBT-VXGBXAGGSA-N 310.379 -0.017 30 20 DBED C=C(Cl)CN1CC[C@H](NC(=O)COCCOC)[C@H](O)C1 1099735339 DAKFMFYTGPNKPJ-NWDGAFQWSA-N 306.790 -0.047 30 20 DBED C=C(Cl)CN1CC[C@@H](NC(=O)CC(=O)NCC)[C@H](O)C1 1099789870 UBEXNJSGXMIYLR-GHMZBOCLSA-N 303.790 -0.184 30 20 DBED CC#CCCCC(=O)N[C@H]1CCN(CC(=O)N2CCC2)C[C@@H]1O 1099960152 OVQPWNBTOLRMAD-GJZGRUSLSA-N 321.421 -0.036 30 20 DBED CC(F)(F)CC(=O)N[C@@H]1CCN(CC(=O)NCC#N)C[C@@H]1O 1099991315 IPFGJOHDTCURHE-ZJUUUORDSA-N 318.324 -0.777 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCN(CCCOC)C[C@@H]2O)nn1 1100026751 HMMJOEQFBZGEOB-OCCSQVGLSA-N 323.397 -0.334 30 20 DBED CN(CCNC(=O)[C@@]1(C)CNC(=O)C1)c1cncc(C#N)n1 1100247143 VHIKWOMLEFHTKU-CQSZACIVSA-N 302.338 -0.573 30 20 DBED C[C@H](C(=O)NCCN(C)c1nccnc1C#N)[C@H]1CCC(=O)N1 1100334104 RWFHKIISLCDWQS-WDEREUQCSA-N 316.365 -0.185 30 20 DBED CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NCCN(C)c1nccnc1C#N 1100347856 VHFIKNKKTBYBGN-WDEREUQCSA-N 316.365 -0.375 30 20 DBED Cc1nocc1C(=O)NCC1CC(NCC(=O)NCC#N)C1 1100632503 CNMXKGJXIWXRCB-UHFFFAOYSA-N 305.338 -0.279 30 20 DBED N#Cc1cnc(N2CCC[C@@H]2CNC(=O)Cc2nc[nH]n2)cn1 1100860770 LNNSRKAPQMDOPS-LLVKDONJSA-N 312.337 -0.206 30 20 DBED N#Cc1nccnc1N1CC[C@@H](CNC(=O)Cc2nc[nH]n2)C1 1101011850 LYLOZBYOMQCFNO-JTQLQIEISA-N 312.337 -0.348 30 20 DBED N#CCNC1CC(CNC(=O)CNC(=O)c2ccccn2)C1 1101021872 NKARVYUGKUHWFY-UHFFFAOYSA-N 301.350 -0.181 30 20 DBED N#Cc1cnc(N(CCNC(=O)CCNC(N)=O)C2CC2)cn1 1101345488 PQWWGEIIDWDRSM-UHFFFAOYSA-N 317.353 -0.508 30 20 DBED CC(C)[C@@H](O)C(=O)N[C@@H]1CC2(CN(CC#N)C2)n2ccnc21 1101628067 UYQVDBTYCNGBIA-VXGBXAGGSA-N 303.366 -0.005 30 20 DBED CNC(=O)C1(C(=O)N(C)CCNc2cncc(C#N)n2)CC1 1101682765 YRWYRJTUKADBRP-UHFFFAOYSA-N 302.338 -0.255 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)CO[C@H]1CCOC1 1101786451 WTGWVLBBMRAFOD-NSHDSACASA-N 305.338 -0.554 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1CNC(=O)CN1C(=O)NC(=O)C1(C)C 1102495641 FRESBAUOHSHWHN-GHMZBOCLSA-N 321.381 -0.476 30 20 DBED C[C@H](CNC(=O)[C@H]1COCCN1C)CNc1nccnc1C#N 1103923485 YXAIPXHXANGOIA-WCQYABFASA-N 318.381 -0.157 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](C)[C@H](CCNCC(=O)NC(N)=O)C1 1104004836 MPNVZRUDIZICLY-HBNTYKKESA-N 309.370 -0.585 30 20 DBED C[C@H](CNC(=O)[C@H]1CNC(=O)N1)CNc1ncccc1C#N 1104184369 XNJWCAKWXASPRI-GXSJLCMTSA-N 302.338 -0.201 30 20 DBED CCNC(=O)CCC(=O)NC[C@H](O)CNc1cncc(C#N)n1 1105747277 ZJJYUYATJXRNGY-LLVKDONJSA-N 320.353 -0.846 30 20 DBED CC[C@@H](C)OCC(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1 1105791252 SHOVFCNIYBCCQC-MNOVXSKESA-N 307.354 -0.526 30 20 DBED N#Cc1cncc(NC[C@@H](O)CNC(=O)CC2(O)CCC2)n1 1105809501 FIHATJDRVMOYQO-LLVKDONJSA-N 305.338 -0.458 30 20 DBED N#Cc1nccnc1NC[C@@H](O)CNC(=O)CC1(O)CCC1 1105810784 XTURKVOMWNHBGS-JTQLQIEISA-N 305.338 -0.458 30 20 DBED CCCN(C)CC(=O)NC[C@H](O)CNc1nccnc1C#N 1105909301 GQQGNVUTXHMEPY-NSHDSACASA-N 306.370 -0.421 30 20 DBED N#Cc1nc(=NC[C@H](O)CNC(=O)[C@@H]2Cc3ccccc32)cc[nH]1 1106090757 BILMXRQZDGRKFO-GXTWGEPZSA-N 323.356 -0.001 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H](O)CNC(=O)Cc1cnc[nH]1 1106130274 SJHDMIAZEVJUPZ-GFCCVEGCSA-N 300.322 -0.770 30 20 DBED C[C@H](CCNc1ccc(C#N)nn1)NC(=O)[C@H]1COCCN1C 1106278252 SUNPNYHQALSHOU-DGCLKSJQSA-N 318.381 -0.014 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1C 1106959492 NIGAMLDYHCOOGB-ZIAGYGMSSA-N 305.382 -0.388 30 20 DBED C#CCN1CC(n2cc(CNC(=O)[C@@H](CC)NC(C)=O)nn2)C1 1107214030 NLDJSUCUSKMUJB-CQSZACIVSA-N 318.381 -0.701 30 20 DBED CNS(=O)(=O)CC(=O)N[C@H](C)CNc1ccc(C#N)nc1 1107781333 JGOZSJXTTJPLDM-SECBINFHSA-N 311.367 -0.581 30 20 DBED C[C@H](C#N)C(=O)NC[C@@]1(C)CN(CCNC(=O)C2CC2)CCO1 1107820966 GXCNFDCFRFAEFP-WBMJQRKESA-N 322.409 -0.121 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@]1(C)CN(CC(=O)NC2CC2)CCO1 1107822015 ZMVNQKFEKOIMTG-NHYWBVRUSA-N 308.382 -0.368 30 20 DBED C[C@]1(CNC(=O)CCS(C)(=O)=O)CN(CC#N)CCO1 1108027035 LBGFXYAOPJZHDQ-LBPRGKRZSA-N 303.384 -0.848 30 20 DBED N#CCN1CC(N2C[C@H](NC(=O)CCOCC3CC3)CC2=O)C1 1108546102 OKDFQMOOLBTZEP-CYBMUJFWSA-N 320.393 -0.272 30 20 DBED C[C@@H](CNc1ccc(C#N)nn1)NC(=O)[C@H]1CN(C)C(=O)N1 1108635853 RTWGEEUNFYHGHO-WCBMZHEXSA-N 303.326 -0.712 30 20 DBED N#Cc1nc(=NCCN(CCO)C(=O)[C@@H]2CC2(F)F)cc[nH]1 1111470096 ATSOTFIJYZATOM-VIFPVBQESA-N 311.292 -0.342 30 20 DBED N#CCNC(=O)CN1C[C@@H]2CCC[C@]2(NC(=O)c2cn[nH]c2)C1 1111608979 PWANEMNRXRILLX-WFASDCNBSA-N 316.365 -0.366 30 20 DBED C#CCOCCC(=O)N[C@]12CCC[C@H]1CN([C@@H]1CCNC1=O)C2 1111745204 LZDVLNITLWULJB-VBQJREDUSA-N 319.405 -0.115 30 20 DBED N#Cc1c[nH]ccc1=NC1(CNC(=O)CNC(N)=O)CCC1 1111762296 LVZHDZIKONROMC-UHFFFAOYSA-N 302.338 -0.506 30 20 DBED CC(=O)NCC(=O)N1C[C@H](C)[C@@H](Nc2cncc(C#N)n2)C1 1112295488 LUIJMGGAZIDLNZ-CABZTGNLSA-N 302.338 -0.257 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)C2CN(C(C)=O)C2)CC1 1112798120 PFYIIOZFWRAEQH-GFCCVEGCSA-N 322.409 -0.700 30 20 DBED C[C@H](NC(=O)c1nnn(C)n1)[C@@H](C)Nc1cncc(C#N)n1 1113259762 WBNHOTYIIGFAKV-SFYZADRCSA-N 301.314 -0.509 30 20 DBED COCC#CCN1CCN(C(=O)c2ccoc2CC(N)=O)CC1 1113260791 OKFJTYGJNGPOBE-UHFFFAOYSA-N 319.361 -0.285 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)[C@@]2(C)CCOC2)CC1 1113457732 AOEQODRCEPFGMG-BBRMVZONSA-N 307.394 -0.305 30 20 DBED C#CCOCCC(=O)NC1[C@@H]2CN(CC(=O)N(C)C(C)C)C[C@@H]12 1114265825 JRKZLZINOCPXLV-ZIAGYGMSSA-N 321.421 -0.061 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@H](OCC)C(C)C)[C@H]2C1 1114268640 OZWDNEMFNVGXDN-BFJAYTPKSA-N 321.421 -0.157 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)CCc3cnn[nH]3)[C@H]2C1 1114858419 AJWLGUHPAHUYMR-NHAGDIPZSA-N 303.366 -0.567 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)c3ccnc(C)n3)[C@@H]2C1 1115248358 WHEWMIARUICSQY-VXGBXAGGSA-N 313.361 -0.806 30 20 DBED C=CCCOCC(=O)NC1[C@H]2CN(Cc3ncnn3C)C[C@H]12 1115324179 MHVIUTSAGNOINR-RYUDHWBXSA-N 305.382 -0.046 30 20 DBED C=CCO[C@H](C)C(=O)NC1[C@H]2CN(CC(=O)NC(=O)NC)C[C@H]12 1115333260 VKGKCXGYHGZKMP-VWYCJHECSA-N 324.381 -0.921 30 20 DBED Cc1ccc(C#N)c(NCCCOCCNC(=O)C(N)=O)n1 1115447412 JJFZRKUSCZAZNR-UHFFFAOYSA-N 305.338 -0.318 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N(C)[C@@H](CO)COC(C)C 1117581880 OIBZGJXAIFQCRV-RYUDHWBXSA-N 302.371 -0.452 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)NCCCCC#N 1117582814 BGAJXDIANGVUER-UHFFFAOYSA-N 301.368 -0.487 30 20 DBED C[C@H]1CC(=O)NCCN1C(=O)C(=O)N1CCC[C@](C)(C#N)C1 1117866913 QNLGNHXIEFCJRP-XHDPSFHLSA-N 306.366 -0.124 30 20 DBED CC#CCn1nnnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1120154117 XGQJLZSKVPFGHU-UHFFFAOYSA-N 303.326 -0.783 30 20 DBED C[C@@]1(C(=O)NC[C@H](CO)Nc2ccc(C#N)nn2)CCOC1 1121914629 QCJVZQSVIIXNBD-BXUZGUMPSA-N 305.338 -0.336 30 20 DBED N#Cc1cnc(N[C@H](CO)CNC(=O)c2csnn2)cn1 1122363278 HFNMWNZFJAQURJ-QMMMGPOBSA-N 305.323 -0.597 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)C2(F)CCOCC2)nn1 1122748078 PBZPETDMRSZBHF-NSHDSACASA-N 323.328 -0.244 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H](CO)Nc1cc(C)ncn1 1122769389 IWYLZLCLGCKBCO-KGLIPLIRSA-N 317.393 -0.228 30 20 DBED COC[C@@H](C)C(=O)N(C)C[C@@H](O)CN=c1cc[nH]cc1C#N 1124195766 AJSUFAAHZXSJPR-YPMHNXCESA-N 306.366 -0.111 30 20 DBED CC[C@H](C)OCC(=O)N(C)C[C@@H](O)CN=c1cc[nH]c(C#N)n1 1124250695 LKUAUYIKBUTMPZ-RYUDHWBXSA-N 321.381 -0.184 30 20 DBED COCCOC[C@H](O)CNCCNC(=O)c1ccc(C#N)[nH]1 1125784118 WLAMIEIDORXXAP-GFCCVEGCSA-N 310.354 -0.770 30 20 DBED COCCN(CCNC(=O)c1cn[nH]c1)c1nccnc1C#N 1126226923 KXIBSXQASVLFMD-UHFFFAOYSA-N 315.337 -0.046 30 20 DBED C#CCO[C@H](C)C(=O)NCc1cnn2c1CN(CC#C)CC2 1128363312 WESWRDAXWJHHBI-CYBMUJFWSA-N 300.362 -0.014 30 20 DBED COCC(=O)N(C)CC(=O)NCCNCC#Cc1ccccc1 1128618834 BBBDVJDUFYIGFQ-UHFFFAOYSA-N 317.389 -0.151 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1cncc(OC)c1C 1130245735 AHOPRWGZZOFBHV-LBPRGKRZSA-N 318.377 -0.144 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)c1cn2c(n1)COCC2 1130248858 WOHQFFDHLGSEBS-LLVKDONJSA-N 321.381 -0.577 30 20 DBED C=CCN[C@@H]1CN(C(=O)CCNC(N)=O)C[C@H]1c1cncn1C 1131121260 PTERNMFNBQVSTM-VXGBXAGGSA-N 320.397 -0.452 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)c1cc(F)c[nH]1 1131462870 GJLJZBZFKMLCGR-UHFFFAOYSA-N 311.317 -0.515 30 20 DBED N#Cc1cccc(CNCCNC(=O)CN2CCNC(=O)C2)c1 1132316950 YFCSEZWINFWQMR-UHFFFAOYSA-N 315.377 -0.804 30 20 DBED C=CCOCCNC[C@@H]1CN(C(=O)CNC(N)=O)CC[C@@H]1C 1132634520 ZMZWOXYKUSSWCD-QWHCGFSZSA-N 312.414 -0.069 30 20 DBED C[C@@H]1CCN(C(=O)c2cn(C)c(=O)cn2)C[C@@H]1CNCC#N 1132993536 RYUIAAQTERRWEW-NEPJUHHUSA-N 303.366 -0.008 30 20 DBED C#Cc1cncc(C(=O)NCCNC[C@H](O)COCCOC)c1 1133592762 ALUZOEZABYDYGV-HNNXBMFYSA-N 321.377 -0.594 30 20 DBED C=CCn1cc(C(=O)NCCNCC(=O)N(CC)C2CC2)nn1 1134973423 QTLLTDBEKCNBPD-UHFFFAOYSA-N 320.397 -0.206 30 20 DBED C[C@H]1CCc2[nH]nc(C(=O)NCCNCC(=O)NCC#N)c2C1 1146261997 IJXUHJKMZZUGHJ-JTQLQIEISA-N 318.381 -0.506 30 20 DBED C=CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)CCCC(N)=O 1146798372 QTJUSFWWLKAVAG-NEPJUHHUSA-N 312.414 -0.183 30 20 DBED N#CCNC(=O)CN1CCC2(C1)CN(C(=O)C1=COCCC1)C2 1147146517 MNXRAJPSAKKAAI-UHFFFAOYSA-N 318.377 -0.145 30 20 DBED C=CCOCC(=O)N1CC2(CCN(Cc3nc(O)n[nH]3)C2)C1 1147260841 HTHBXSGYDIYABU-UHFFFAOYSA-N 307.354 -0.253 30 20 DBED CC[C@H](C(N)=O)N1CCCO[C@@H](CNC(=O)C#CC2CC2)C1 1149701244 QPVLXNOZRQWRPY-UONOGXRCSA-N 307.394 -0.129 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)Cc1cncnc1 1157226694 NKXGHVJLSYNCKQ-GFCCVEGCSA-N 305.382 -0.194 30 20 DBED C=CCNC(=O)CNCCCNC(=O)CNC(=O)C1CCCC1 1158623607 AMXITDKSVZPGMX-UHFFFAOYSA-N 324.425 -0.309 30 20 DBED N#CCNC(=O)CNCCCNC(=O)[C@H]1Cc2ccccc2O1 1162058340 AIKAIMOMDJEBQB-CQSZACIVSA-N 316.361 -0.274 30 20 DBED C#CCNC(=O)CNCCCNC(=O)CCc1cncnc1 1162565412 KXAKRGVIAGUXIG-UHFFFAOYSA-N 303.366 -0.746 30 20 DBED C#Cc1ccc(C(=O)NCCCNCC(=O)NC(=O)NC)cc1 1163740224 PBVBVLXORSTZSQ-UHFFFAOYSA-N 316.361 -0.167 30 20 DBED C[C@H]1CO[C@H](C(=O)NCCC2(CNCC(=O)NCC#N)CC2)C1 1166286677 PHIATQPVDRHIKK-OLZOCXBDSA-N 322.409 -0.073 30 20 DBED C#CCNC(=O)CNCCCNC(=O)C(=O)N1CCC[C@H](C)C1 1167737334 VTMFGRHQRMIJRV-ZDUSSCGKSA-N 322.409 -0.910 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@H](C)Cc1cnc[nH]1 1167985179 BPNJLPJPQZPHIW-GFCCVEGCSA-N 307.398 -0.014 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)C[C@@H]2CCC(=O)N2)C1=O 1168231629 KCSOEEKTQYFJOW-STQMWFEESA-N 322.409 -0.462 30 20 DBED CC#CCN1CCO[C@H]2CCN(C(=O)CNC(=O)OC)C[C@@H]21 1176937944 QDBGYPRTMSWKFN-STQMWFEESA-N 309.366 -0.333 30 20 DBED COCCC(=O)N1C[C@H]2CC[C@H]1[C@H](CNCC(=O)NCC#N)C2 1177563427 GXASBDBUTQPSBH-IHRRRGAJSA-N 322.409 -0.121 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2n[nH]c(C)c2C)[C@H]1C 1178376088 VODQSNRYDFTNBN-STQMWFEESA-N 317.393 -0.031 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@H](NCc2nnnn2C)[C@@H]1C 1178678947 WQQYODSTAOXKEX-TUAOUCFPSA-N 306.370 -0.673 30 20 DBED C=C(Br)CN[C@@H]1CCN(C(=O)CNC(N)=O)C1 1180897591 NSFHYLAGEVPFCC-MRVPVSSYSA-N 305.176 -0.246 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](NCCNC(=O)NC(C)C)C1 1182514961 XUWDSSVQCVGSNB-CQSZACIVSA-N 324.425 -0.076 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2OCC[C@H]2C(C)C)C1 1182654987 UUIUBFXMAKMWMG-YCPHGPKFSA-N 321.421 -0.013 30 20 DBED C=CCNC[C@H]1CCN(C(=O)CS(=O)(=O)NC)C[C@@H]1C 1185711079 YIUUKNUZPHBOQR-NWDGAFQWSA-N 303.428 -0.204 30 20 DBED C=CCCC(=O)N1CCC[C@@H](n2cc(CNCC(N)=O)nn2)C1 1185907117 DZJVMRIUDUFOGS-CYBMUJFWSA-N 320.397 -0.017 30 20 DBED CC#CCN[C@@H]1CCN(C(=O)Cc2c(C)nc(O)nc2O)C1 1186546337 RCCSRDWPTYNLTQ-LLVKDONJSA-N 304.350 -0.047 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)C3=COCCC3)[C@@H]2C1 1187192334 XEMMCCCGAGQDSC-DZGCQCFKSA-N 317.389 -0.037 30 20 DBED C=CCOCC(=O)N1CC[C@H]2CN([C@H]3CCC(=O)NC3=O)C[C@H]21 1187319926 FXLJGHMEYOLFKI-RWMBFGLXSA-N 321.377 -0.473 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C2CC(C)(C)C2)C1 1192599403 IMKBJEMMLJPXJY-CHWSQXEVSA-N 307.394 -0.667 30 20 DBED CC(C)(C)NC(=O)CN1C[C@@H](O)[C@H](NC(=O)C#CC2CC2)C1 1192770280 IDMJZQOBBOKXFQ-CHWSQXEVSA-N 307.394 -0.524 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)Cc2cncs2)C1 1193940963 KLPCXDPXGUFUNM-VXGBXAGGSA-N 324.406 -0.851 30 20 DBED CCOc1cc(C(=O)N[C@@H]2CN(CC#CCOC)C[C@H]2O)[nH]n1 1194015788 MUUMLQWNMFTLGP-CHWSQXEVSA-N 322.365 -0.767 30 20 DBED C=CCOCCN(C)[C@H]1CCN(C(=O)CS(=O)(=O)NC)C1 1194090303 WYLVVUNLUARADJ-LBPRGKRZSA-N 319.427 -0.729 30 20 DBED C=CCCCN1CCCN(C(=O)CNC(=O)CNC(C)=O)CC1 1196324972 FOCDXVGOMGSKKR-UHFFFAOYSA-N 324.425 -0.261 30 20 DBED C=CCNC(=O)[C@H](C)N1CCCN(C(=O)Cc2nc[nH]n2)CC1 1197767688 GSLBHWAQNDKJKO-LBPRGKRZSA-N 320.397 -0.428 30 20 DBED N#CCNC[C@@H]1CN(C(=O)CCN2C(=O)CCC2=O)CCCO1 1200911562 NHHVCIADOCMJJK-GFCCVEGCSA-N 322.365 -0.744 30 20 DBED Cc1csc(=O)n1CC(=O)N1CCCO[C@@H](CNCC#N)C1 1202042546 YECNNIJKTRLHSO-LBPRGKRZSA-N 324.406 -0.051 30 20 DBED C#CCNC(=O)[C@H](C)NCC1CCN(C(=O)c2cc[nH]n2)CC1 1204566817 ANUYIQJVJYINPB-LBPRGKRZSA-N 317.393 -0.011 30 20 DBED C#CCCNCC1CCN(C(=O)Cn2ncn(C)c2=O)CC1 1205567416 KBPPDXKAMJZFHK-UHFFFAOYSA-N 305.382 -0.567 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)CSCC#N)[C@H](C)C1 1206090372 QYXHAVLNCUDSBI-VXGBXAGGSA-N 308.407 -0.571 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN([C@@H]2CCCNC2=O)C[C@H]1C 1206959936 LALXDPWEEWRTGZ-MGPQQGTHSA-N 307.394 -0.259 30 20 DBED COCC#CCN1C[C@@H](NC(=O)c2cn(C)c(O)n2)[C@H](C)C1 1208494488 YSBSWTYBRVCPEI-VXGBXAGGSA-N 306.366 -0.174 30 20 DBED C[C@H](N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C)C(=O)NC(N)=O 1214587471 JIFKDPHYQGFQAP-JFGNBEQYSA-N 306.366 -0.580 30 20 DBED COCC1(CC(=O)N2C[C@@H](NCC(=O)NCC#N)[C@H](C)C2)CC1 1214593429 SRZCJCNHJBKPEW-CHWSQXEVSA-N 322.409 -0.121 30 20 DBED C#CCCN[C@@H]1CN(C(=O)CN(C)S(C)(=O)=O)C[C@H]1C 1214763927 MKVUWBNFAYTBFT-VXGBXAGGSA-N 301.412 -0.662 30 20 DBED CC#CCN[C@@H]1CN(C(=O)CN2CCCS2(=O)=O)C[C@H]1C 1214790149 DKJJFRJJOVNGRP-CHWSQXEVSA-N 313.423 -0.518 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)Cc2cncn2C)C[C@H]1C 1216383331 KKQCOQHYXBTRCH-TZMCWYRMSA-N 317.393 -0.852 30 20 DBED N#CCSCC(=O)N1CCO[C@@H]2CN([C@H]3CCNC3=O)C[C@@H]21 1217325710 ASQZZXFWUBAIBP-SDDRHHMPSA-N 324.406 -0.957 30 20 DBED CC(C)C#CC(=O)N1CCO[C@@H]2CN(Cc3nnnn3C)C[C@@H]21 1217843954 NQUIQBGUEIWTMY-QWHCGFSZSA-N 318.381 -0.719 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2cccnc2)C[C@@H]1O 1219613611 MJFOTIPHPJUWQS-CABCVRRESA-N 303.362 -0.217 30 20 DBED C=CCCCN1C[C@H](O)[C@H](NC(=O)c2ccc(C(N)=O)[nH]2)C1 1220369456 JZIHCKJDQJXDEP-OLZOCXBDSA-N 306.366 -0.145 30 20 DBED C=CCOCC(=O)N1C[C@H]2CCN([C@H]3CCC(=O)NC3=O)C[C@H]21 1221441732 RKPVSYMMMCGEGY-FRRDWIJNSA-N 321.377 -0.473 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1ccncn1 1229213936 NRSRKOYOASLHMI-CHWSQXEVSA-N 315.377 -0.143 30 20 DBED CCn1cc(C(=O)NC2CCN(CC(=O)NCC#N)CC2)nn1 1229796812 XIGAPLFPKFXDFZ-UHFFFAOYSA-N 319.369 -0.868 30 20 DBED C#CCNC(=O)CC(=O)N(C)C[C@@H]1CCN1Cc1csnn1 1233808748 CHDJARVBXLVUJI-LBPRGKRZSA-N 321.406 -0.290 30 20 DBED CC#CCN1CC[C@@H]1CN(C)C(=O)CN1CCCS1(=O)=O 1235089399 JCODHBJFONAPAT-CYBMUJFWSA-N 313.423 -0.422 30 20 DBED COCC(=O)NCCC(=O)OCC(=O)N[C@@](C)(C#N)C1CC1 1317848367 ILRUYUMTJVBJOS-AWEZNQCLSA-N 311.338 -0.509 30 20 DBED C[C@H](CNC(=O)C(=O)N1CC[C@@](O)(CC#N)C1)Cn1cccn1 1326069137 HXCWNQFUBFCRLB-DOMZBBRYSA-N 319.365 -0.488 30 20 DBED CC#CC[C@@H](CO)NC(=O)C(=O)Nc1cc(C)n(CCC#N)n1 1326088867 ZGLWXKVZGSDESZ-LBPRGKRZSA-N 317.349 -0.066 30 20 DBED C=C[C@H](C)ONC(=O)C(=O)Nc1cnn(CC(=O)N(C)C)c1 1326799139 AQWAHATYLPREPP-VIFPVBQESA-N 309.326 -0.468 30 20 DBED C[C@H]1CN(C(=O)C(=O)NC2CCN(CC#N)CC2)C[C@@]1(C)CO 1327967993 MYLLOVZJDXFDEG-LRDDRELGSA-N 322.409 -0.433 30 20 DBED COCC1CCN(C(=O)C(=O)NC2CCN(CC#N)CC2)CC1 1328685036 MGXHWTKVZITOTA-UHFFFAOYSA-N 322.409 -0.024 30 20 DBED C#CCCCCNC(=O)C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 1328931397 YPBRBDZTVNMRTL-LLVKDONJSA-N 315.395 -0.944 30 20 DBED C[C@@H]1CC2(CCNCC2)CN1C(=O)C(=O)N1CCO[C@H](C#N)C1 1329125045 HMDSZZGNAYUPCH-CHWSQXEVSA-N 320.393 -0.272 30 20 DBED CC(=O)N[C@H]1CCN(C(=O)C(=O)N2CCC[C@@H](CC#N)C2)C1 1333456146 NMDFCKVSUZHWOU-STQMWFEESA-N 306.366 -0.124 30 20 DBED CNC(=O)[C@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](C#N)C2)C1 1334963252 PZBCSCPQVSSVGZ-RYUDHWBXSA-N 306.366 -0.267 30 20 DBED CCCC[C@@H](CN)NC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1336962659 ZAIIHUFIAKLBFL-JSGCOSHPSA-N 321.425 -0.181 30 20 DBED C#CCN1CCN(c2nnc(C[C@H](C)O)n2CCOC)CC1 1342765975 CYOZAVUSEUQARQ-ZDUSSCGKSA-N 307.398 -0.397 30 20 DBED COCCOC[C@H](C)NC(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1349224465 YTRRFJNPHDYGDB-FZMZJTMJSA-N 313.354 -0.969 30 20 DBED Cn1nccc1[C@H]1C[C@@H](NC(=O)Cn2cnc(C#N)n2)CCO1 1362694490 RAVAZNCLDQERJV-CMPLNLGQSA-N 315.337 -0.080 30 20 DBED CC[C@H](NS(=O)(=O)N(CCC#N)CCOC)C(=O)NC 1364867179 NITJYZNJRAOMFY-JTQLQIEISA-N 306.388 -0.793 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](CNC(=O)c1cc(=O)n(C)cn1)C1CC1 1372405745 LEPGYCYXCARCMP-JOYOIKCWSA-N 317.349 -0.435 30 20 DBED C[C@H](CCNC(=O)c1cn(C)c(=O)n1C)NC(=O)[C@H](C)C#N 1373300748 MIPHMRCSFNFAIU-NXEZZACHSA-N 307.354 -0.492 30 20 DBED C[C@@H](C#N)C(=O)NC1CN(C(=O)c2ccc3nc(O)[nH]c3n2)C1 1374752496 XDXRKLIUSLQNAP-ZETCQYMHSA-N 314.305 -0.236 30 20 DBED COCC(=O)NCCC(=O)NCC1(NC(=O)[C@H](C)C#N)CC1 1378864529 RQCZRXOLZCVNIY-SNVBAGLBSA-N 310.354 -0.936 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CN(C)C(=O)C1CCN(C)CC1 1383022300 LQPHTUIIZJVXPQ-DGCLKSJQSA-N 310.398 -0.577 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@@H](CNC(=O)CN2CCCNC2=O)C1 1384967566 MEIMAGISFZFJLR-SDDRHHMPSA-N 321.381 -0.428 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](NC(=O)CNC(=O)N2CCCC2)C1 1385570729 IHPUFUXGSZFQFS-NEPJUHHUSA-N 321.381 -0.331 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CN(C)C(=O)c1ccc(F)cn1 1405587934 PBNWSASBNGPSAC-ONGXEEELSA-N 308.313 -0.071 30 20 DBED CNC(=O)c1ccc(C(=O)N[C@H](C)CNC(=O)[C@@H](C)C#N)cn1 1408315600 ULDAIYBTBDKALG-VHSXEESVSA-N 317.349 -0.165 30 20 DBED CN(CCNC(=O)c1cc(C#N)c[nH]1)C(=O)CCn1cncn1 1408545128 RJSZPBKKKBYXNT-UHFFFAOYSA-N 315.337 -0.244 30 20 DBED CC1(C)CN(C(=O)CCn2cc(C#N)c(O)nc2=O)CC[C@H]1O 1412026411 DRSJMGCCPOXSLY-LLVKDONJSA-N 320.349 -0.170 30 20 DBED N#Cc1cn(CCNC(=O)N[C@@H]2C[C@@H]3CC[C@H]2O3)c(=O)nc1O 1413957142 XAVODJHXRLEEBW-HBNTYKKESA-N 319.321 -0.560 30 20 DBED CSc1nc(O)c(C(=O)N[C@]2(C(N)=O)CCOC2)cc1C#N 1418218903 GTQMCLNDSYGTNB-CYBMUJFWSA-N 322.346 -0.245 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCNC(=O)[C@@H]1CCCS1(=O)=O 1431281143 JJDVVXSAYAYZOW-UWVGGRQHSA-N 301.368 -0.702 30 20 DBED COc1ncc(NC(=O)N2CCO[C@H](C(N)=O)C2)cc1C#N 1467269588 KBZHOWXUYMDIQV-JTQLQIEISA-N 305.294 -0.320 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CCN(C(=O)CCS(C)(=O)=O)C1 1493362801 PLQDWHAQINLGSQ-UWVGGRQHSA-N 301.368 -0.702 30 20 DBED CC(=O)NCC(=O)NC[C@@H](O)CNCc1ccc(C#N)s1 1496931556 GRWHDQMUHNEDGH-JTQLQIEISA-N 310.379 -0.677 30 20 DBED CC[C@H](C(=O)N1C[C@H](NCC(=O)NCC#N)C(C)(C)C1)N(C)C 1507440265 POMAGWHYZFDDBA-OLZOCXBDSA-N 323.441 -0.207 30 20 DBED C#CCN(C)c1nnc(C2CCNCC2)n1Cc1ncn(C)n1 1574615258 ZDVUTMBSTZKIML-UHFFFAOYSA-N 314.397 -0.009 30 20 DBED C#CCn1cc(CNC(=O)c2ccc(-c3nn[nH]n3)n2C)cn1 1588363834 DHTXROBEKSKLMW-UHFFFAOYSA-N 310.321 -0.035 30 20 DBED C#CCN(CC(=O)O)c1nnc(C2(O)CC2)n1C[C@@H]1CCCO1 1588426994 JLCSAVCFXYGBCB-NSHDSACASA-N 320.349 -0.037 30 20 DBED C#CCCCCNC(=O)C(=O)N1CCN(C(C)(C)C(=O)O)CC1 1588441424 GUYNUFDBPXWQQD-UHFFFAOYSA-N 323.393 -0.087 30 20 DBED C#CCO[C@@H](C)C(=O)NCCCN=c1cc[nH]c(C(=O)O)n1 1588490512 OFJUYWLXZFTNBY-JTQLQIEISA-N 306.322 -0.447 30 20 DBED C#CCSCCNC(=O)C(=O)N1CCO[C@@H](CC(=O)O)C1 1588506544 WDACHHNUPBTZRJ-JTQLQIEISA-N 314.363 -0.829 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@@H](N=c2cc[nH]cc2-c2nn[nH]n2)C1 1588930752 JXEXOIVWXJHIKU-LPEHRKFASA-N 312.337 -0.098 30 20 DBED C[C@@](O)(CNC(=O)C(=O)Nc1ccc(F)cc1C#N)C(=O)O 1589138563 RDJILJZGTKHPBO-CYBMUJFWSA-N 309.253 -0.412 30 20 DBED C[C@@H](CS(C)(=O)=O)Nc1cnc(-c2nn[nH]n2)c(C#N)n1 1589888999 NWDXGBMAYNMEEH-LURJTMIESA-N 308.327 -0.627 30 20 DBED Cc1[nH]c(-c2nn[nH]n2)cc1C(=O)N1CCN(CC#N)CC1 1591781851 RNEFKAKMHKYWKI-UHFFFAOYSA-N 300.326 -0.215 30 20 DBED N#CCSCC(=O)NCCNc1cncc(-c2nn[nH]n2)n1 1592679245 KBCZFMMYGZPFBG-UHFFFAOYSA-N 319.354 -0.558 30 20 DBED N#Cc1ncc(NCCN2CC[C@H](O)C2)nc1-c1nn[nH]n1 1592710181 IXHALCVKAXKCJZ-QMMMGPOBSA-N 301.314 -0.993 30 20 DBED Cn1cc([C@H]2C[C@@H](C(=O)O)CN(C(=O)NCC#CCO)C2)cn1 1594540757 QFAUUUYKWXCZMP-NWDGAFQWSA-N 320.349 -0.385 30 20 DBED COC(=O)CCNC(=O)Cn1cc(C(=O)O)cc(C#N)c1=O 1598853439 BHMPRYSCMZWDGW-UHFFFAOYSA-N 307.262 -0.903 30 20 DBED C#CC[C@H](NC(=O)[C@@H](CO)NC(=O)OC(C)(C)C)C(=O)O 1602692342 LUBKJAZDRJVLBY-DTWKUNHWSA-N 300.311 -0.535 30 20 DBED C#CCOCCC(=O)N[C@@H](C)[C@H](C)N=c1cc[nH]c(C(=O)O)n1 1602727663 CRZRREGXWRYICU-QWRGUYRKSA-N 320.349 -0.058 30 20 DBED Cn1ccnc(NN=Cc2nc(-c3nn[nH]n3)cs2)c1=O 1609480399 FMWFIURTIGRNSN-UHFFFAOYSA-N 303.311 -0.137 30 20 DBED Cc1cc(NC(=O)c2cnn(C[C@H](O)CO)c2)n(CCC#N)n1 1649893518 QNAMVFAKPBLWDZ-LBPRGKRZSA-N 318.337 -0.093 30 20 DBED C[C@H](C(=O)N1CC(N2CCN(C)CC2)C1)n1cnc(C#N)n1 1650021902 ZKMDPEGGZSXXHO-LLVKDONJSA-N 303.370 -0.831 30 20 DBED C=C(C)CNC[C@@H]1CCCCN1C(=O)CNC(=O)CNC(C)=O 1731548125 NXEGUKOASSKYMT-AWEZNQCLSA-N 324.425 -0.215 30 20 DBED COCC#CCN1CCN(CCNC(=O)Cn2cccn2)CC1 1752361375 UQQIOKLYSJSDFY-UHFFFAOYSA-N 319.409 -0.733 30 20 DBED C=C(C)CNC[C@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 1752963251 LLWMVOVOBFJSOP-LLVKDONJSA-N 306.370 -0.609 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC[C@@H](CNC(=O)c2[nH]nnc2C)C1 1753131522 XBNGUPJCAAZWFM-NEPJUHHUSA-N 320.397 -0.144 30 20 DBED C#CCNC(=O)CNCCN(C)C(=O)c1ccn(C(F)F)n1 1753194449 JMYAGDZRTXBOKJ-UHFFFAOYSA-N 313.308 -0.311 30 20 DBED C#CCNC(=O)CNC[C@H](C)NC(=O)c1c(C)cc(C)nc1O 1754277721 VPUZPUGVTGASOY-LBPRGKRZSA-N 318.377 -0.139 30 20 DBED CC1(NC(=O)Cn2ccnc2)CCN(CC(=O)NCC#N)CC1 1754629787 LRJWJQJIVCLCIU-UHFFFAOYSA-N 318.381 -0.506 30 20 DBED CN(C)S(=O)(=O)CC(=O)NC[C@@]1(C)CCCN(CC#N)C1 1754732889 DUKKZVYCWJZSIV-CYBMUJFWSA-N 316.427 -0.380 30 20 DBED COCC#CCN1CCC[C@](C)(CNC(=O)[C@@H]2CCNC2=O)C1 1754735737 JJMUFEXJLMFGMC-RHSMWYFYSA-N 321.421 -0.009 30 20 DBED C=CCNC(=O)CN1CC(O)(CNC(=O)c2ncoc2CC)C1 1754765941 AAXIRLPPQWNNIZ-UHFFFAOYSA-N 322.365 -0.684 30 20 DBED C#CCCN1CCC[C@@](CO)(NC(=O)c2nnn(C)c2C)C1 1754852653 LLHYNBUBYNDMKG-OAHLLOKOSA-N 305.382 -0.296 30 20 DBED C#CCNC(=O)CNC1(CNC(=O)Cn2nccc2C)CCC1 1754988266 XLHSBHPUIQTTQO-UHFFFAOYSA-N 317.393 -0.431 30 20 DBED CC(C)(C)N1C[C@@H](C(=O)N2CCO[C@@H](CNCC#N)C2)CC1=O 1754999914 FVSIUGLHWKSFHB-STQMWFEESA-N 322.409 -0.026 30 20 DBED C#CCNC1(C)CCN(C(=O)COCc2nncn2C)CC1 1755133917 HNZNDKRYLAZEQK-UHFFFAOYSA-N 305.382 -0.064 30 20 DBED C=CCN[C@H](C)[C@H]1CN(C(=O)CS(=O)(=O)N(C)C)CCO1 1755448741 WQKMEPBULGDCSB-VXGBXAGGSA-N 319.427 -0.731 30 20 DBED C#CCNC(=O)CNC[C@H](C1CC1)N(C)C(=O)[C@H]1CCOC1 1755555323 JAJXLGZLSLUYPL-UONOGXRCSA-N 307.394 -0.401 30 20 DBED C#CCNC[C@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1C(F)(F)F 1755769156 ZPWATTRVKVDKNO-UWVGGRQHSA-N 316.287 -0.467 30 20 DBED CC#CCNC[C@@H](O)CN(C)C(=O)c1c(O)nnc(C)c1C 1755784041 FVQKDZHASOFPHF-GFCCVEGCSA-N 306.366 -0.155 30 20 DBED C=CCOCC(=O)N(C)C[C@@H](C)NC(=O)c1cc(=O)n(C)cn1 1756438282 KQUCVMNZOUGJDG-LLVKDONJSA-N 322.365 -0.440 30 20 DBED CC(C)C#CC(=O)N[C@H](C)CN(C)C(=O)[C@H]1CN(C)CCO1 1756440931 HMRCGKLRCFQVOD-ZIAGYGMSSA-N 309.410 -0.061 30 20 DBED C[C@H](CN(C)C(=O)C#CC1CC1)NC(=O)[C@@]1(C)CNC(=O)C1 1756450964 PAVSIZUZUMGATG-BDJLRTHQSA-N 305.378 -0.111 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H](C)CN(C)C(=O)Cc1ncc[nH]1 1756485511 AAXCTXISHFZVDG-VXGBXAGGSA-N 306.366 -0.046 30 20 DBED Cc1cc(C(=O)N[C@H](CO)CNC(=O)CSCC#N)on1 1756503385 GUTSLXMCLWUPRZ-VIFPVBQESA-N 312.351 -0.553 30 20 DBED C=C(C)C[C@@H](C)C(=O)N[C@H](CO)CNC(=O)Cc1n[nH]c(C)n1 1756520949 HERBIQFMNXESID-PWSUYJOCSA-N 323.397 -0.149 30 20 DBED C=CCO[C@H](C)C(=O)N[C@H]1C[C@@H](CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 1757332381 GDWPOAQJWXUXEB-LBELIVKGSA-N 323.393 -0.290 30 20 DBED Cn1ncn(N=Cc2cn(C3CCOCC3)nc2C(=O)O)c1=O 1776112835 MGIHFTHIYSSCOQ-UHFFFAOYSA-N 320.309 -0.290 30 20 DBED C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3ccncc3O)C2)C1 1779412827 JIGKYSIDOHJWHR-MRXNPFEDSA-N 315.329 -0.136 30 20 DBED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3C[C@H]3F)C2)C1 1781089594 LJWQEDCZEKXJGE-FIXISWKDSA-N 324.308 -0.738 30 20 DBED C[C@@H](CN)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC#N)[C@H]2C1 1786365410 ITMUKJJJIWOODU-CYDGBPFRSA-N 308.382 -0.525 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)C(C)(C)C 1792920602 ZJSMDRANCHDYJN-ZMJPVWNMSA-N 308.378 -0.384 30 20 DBED C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(=O)n1O 1794670520 HCFWZCQSBGEKGE-ZSBIGDGJSA-N 315.329 -0.029 30 20 DBED CNCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC#N)C2 1795593168 LBJYZSHTCXJLLG-JJLQDPRZSA-N 308.382 -0.511 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc[n+]([O-])cc1 1798362557 CGULEQXVLJQHAG-AGGWBTHJSA-N 315.329 -0.844 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#C 1800450864 QHJCIZMWWDYGSU-GUIRCDHDSA-N 304.346 -0.753 30 20 DBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](CC)NC)C2)C1 1839807464 BRBSXSZXMVHKFF-BBRMVZONSA-N 323.393 -0.926 30 20 DBED CC(=O)C[C@H](C)C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846197152 ZQEAKEPTECZWSN-NSHDSACASA-N 320.345 -0.107 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(CN(CC)CCC#N)c1=O 64111156 FLLPYWFVCOIXOM-UHFFFAOYSA-N 319.365 -0.263 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1C[C@@H](C)[C@H](C(=O)O)C1 263122865 MEOWJDSAWHAXHM-GHMZBOCLSA-N 319.383 -0.254 30 20 DBED Cc1cccc(NC(=O)C(=O)N2CCO[C@H](C(N)=O)C2)c1C#N 266608537 ZJNBNLBQCGSKDD-LBPRGKRZSA-N 316.317 -0.482 30 20 DBED CN1CCN(C(=O)CC/N=C(/O)N(C)Cc2nccn2C)CC1 329368544 JFBOYEQGJWHNPB-UHFFFAOYSA-N 322.413 -0.070 30 20 DBED Cc1nc(CN/C(O)=N/CCC(=O)N2CCN(C)CC2)no1 329822126 PXHOXYBEZLDLGX-UHFFFAOYSA-N 310.358 -0.454 30 20 DBED CC/N=C(/O)N1CC[C@@H](NC(=O)CN(C)C(=O)COC)C1 330486921 FACYZRIILBNSLE-SNVBAGLBSA-N 300.359 -0.784 30 20 DBED CCCC/N=C(/O)NC(=O)CN1CCN(C(=O)[C@H](C)O)CC1 330598671 ZPFKBZBGYBCZLP-NSHDSACASA-N 314.386 -0.658 30 20 DBED COCCN(CCC#N)S(=O)(=O)NCc1ccnc(C)n1 336917245 NGVPPOMQLNNSBX-UHFFFAOYSA-N 313.383 -0.019 30 20 DBED COCCN(CCC#N)S(=O)(=O)NC[C@@]1(O)CCSC1 337082177 ZENXOAMDIQFIIA-NSHDSACASA-N 323.440 -0.449 30 20 DBED C[C@H](C(=O)N1CCOCC1)N1CCN(CCOCCC#N)CC1 338993258 ZCXAEIOMXBBHOH-OAHLLOKOSA-N 324.425 -0.218 30 20 DBED COCCCS(=O)(=O)NCC(=O)N1CCSC[C@H]1C#N 342227033 WDOPSTDFURMCJJ-SNVBAGLBSA-N 321.424 -0.590 30 20 DBED CC[C@@H]1CN(C(=O)Cn2cnc(C#N)n2)C[C@H](C)S1(=O)=O 346339310 PSXAKBBPXQRVPY-VHSXEESVSA-N 311.367 -0.426 30 20 DBED C[C@H]1CCCN1S(=O)(=O)CCCS(=O)(=O)NCC#N 349513671 XVYHKDSAZPYRLV-JTQLQIEISA-N 309.413 -0.366 30 20 DBED C=C[C@H](CO)NC(=O)N[C@@H]1CCC[C@@H]1CNS(C)(=O)=O 359099442 HBCBVEPWPGOGBB-GMTAPVOTSA-N 305.400 -0.450 30 20 DBED N#C[C@@H]1CCC[C@@H]1NS(=O)(=O)N1CCS(=O)(=O)CC1 360469635 VEUZAZYMDHRWQR-UWVGGRQHSA-N 307.397 -0.757 30 20 DBED CN1CCOC[C@@H]1C(=O)N1CCN(c2ccc(C#N)cn2)CC1 408036728 VGIVMRDOFDPVGZ-CQSZACIVSA-N 315.377 -0.068 30 20 DBED N#CCC1(O)CN(CCS(=O)(=O)c2ccc(C#N)cn2)C1 424134004 KELOFCCKBKXVRB-UHFFFAOYSA-N 306.347 -0.313 30 20 DBED N#CCNC(=O)CNC(=O)CNC(=O)OCc1ccccc1 496777402 MBWBQSDDEGNFNN-UHFFFAOYSA-N 304.306 -0.331 30 20 DBED COC[C@](C)(O)CNC(=O)CNC(=O)c1ccc(C#N)cc1 531119354 FDTDYXHTTZRQCJ-OAHLLOKOSA-N 305.334 -0.198 30 20 DBED CN(CCC#N)C[C@@H](O)CNCC1(S(C)(=O)=O)CCC1 564076685 QNIOKUFTBGOCLM-LBPRGKRZSA-N 303.428 -0.250 30 20 DBED N#CCNC(=O)CNC(=O)N1CCNC(=O)[C@@H]1c1ccccc1 577647253 CUWMRZWAGAZKOG-ZDUSSCGKSA-N 315.333 -0.491 30 20 DBED CN1C[C@H](NC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)C(=O)N1 590708592 MWQTUHNNOHSEOI-KBPBESRZSA-N 313.361 -0.012 30 20 DBED CO[C@H]1COC[C@H]1S(=O)(=O)NCC1CCN(CC#N)CC1 591696519 IAERWAAWKAYIKK-QWHCGFSZSA-N 317.411 -0.445 30 20 DBED N#CC[C@]1(O)CCN(CC(=O)NC(=O)NCC(F)(F)F)C1 592147031 HPGZIFBRBUYIMA-JTQLQIEISA-N 308.260 -0.275 30 20 DBED COC(=O)c1ccc(N2CCN3C(=O)[C@H](N)C[C@H]3C2)c(C#N)n1 596013270 HLWWSOAFZQSARS-VHSXEESVSA-N 315.333 -0.512 30 20 DBED CCN1C[C@@H](S(=O)(=O)N2CCSC[C@H]2C#N)CC1=O 601387309 UHFXZCOUVOMLHN-ZJUUUORDSA-N 303.409 -0.122 30 20 DBED N#CCCN1CCN(S(=O)(=O)N2CCCOCC2)CC1 601535362 JPYHYTBRYYZESR-UHFFFAOYSA-N 302.400 -0.515 30 20 DBED C=CCN(CCOC)C(=O)[C@@H]1CCCN(S(N)(=O)=O)C1 613932621 GCLKHVRCJUETOC-LLVKDONJSA-N 305.400 -0.437 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@H](C)[C@@H]2CCC(=O)N2)CC1 623603907 AAGSRGADRDAHPS-OLZOCXBDSA-N 322.409 -0.653 30 20 DBED C=CCNC(=O)[C@@H](C)OC(=O)c1ccnc(S(N)(=O)=O)c1 772430047 ZYUMSYRLDZODRX-MRVPVSSYSA-N 313.335 -0.424 30 20 DBED C#CCCN1CCN(S(=O)(=O)[C@@H](C)C(=O)N(C)C)CC1 774873163 GIMFVDWIYPFTLV-LBPRGKRZSA-N 301.412 -0.566 30 20 DBED C#C[C@@H](NC(=O)c1ccc(S(=O)(=O)NC)nc1)[C@@H]1CCCO1 775322740 GCTQHWXMCNZMFA-NEPJUHHUSA-N 323.374 -0.100 30 20 DBED COC[C@@H](C#N)OC(=O)C1=NC=CN2CCS(=O)(=O)N=C12 784984674 NYXPEQBWJSTNFY-MRVPVSSYSA-N 312.307 -0.962 30 20 DBED C#CCNC(=S)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F 795105324 CKTOUDHCOLNGSV-ZETCQYMHSA-N 317.358 -0.094 30 20 DBED COC(=O)c1cn(CCOC(=O)[C@@H](C)n2cnc(C#N)n2)nn1 798860963 CJKLUSKIOPRCRN-MRVPVSSYSA-N 319.281 -0.668 30 20 DBED N#Cc1cc(S(N)(=O)=O)ccc1N1CC[C@H](CO)[C@H](O)C1 811838497 LFUUOOVCYCCFKH-NOZJJQNGSA-N 311.363 -0.615 30 20 DBED C#C[C@@H](C)NC(=O)N(CC)CC(=O)N[C@H]1CCS(=O)(=O)C1 812902001 CRZRTIAJXWMTJW-MNOVXSKESA-N 315.395 -0.657 30 20 DBED CNS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@@](C)(C#N)CC(=O)O 820641297 PHLBBHUWUOMIGC-JOYOIKCWSA-N 317.367 -0.469 30 20 DBED N#C[C@@H]1CNC[C@H]1NC(=O)[C@@H]1COCCN1CC(F)(F)F 834506100 PVQVJSYSAAJEEB-BBBLOLIVSA-N 306.288 -0.523 30 20 DBED CCONC(=O)CNC(=O)C(=O)Nc1cc(C#N)ccc1C 846132193 YIEIMOXXOJMILQ-UHFFFAOYSA-N 304.306 -0.011 30 20 DBED C#CCCNC(=O)C(=O)Nc1cnn(C(C)(C)C(=O)OC)c1 850374577 MVHGOKFSRVWGKD-UHFFFAOYSA-N 306.322 -0.131 30 20 DBED C#CC[C@H](CO)NC(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 854547494 WNJSOXJZXDSWJU-GXTWGEPZSA-N 301.346 -0.070 30 20 DBED C=CCCONC(=O)CNS(=O)(=O)c1cn(C)c(C)n1 856031063 DCYMOGPBCOHOIV-UHFFFAOYSA-N 302.356 -0.369 30 20 DBED C#CC[C@@H](CCOC)NC(=O)NCCCN1C(=O)CNC1=O 858204619 PQAHPGOBINIQGM-NSHDSACASA-N 310.354 -0.344 30 20 DBED C#Cc1cccc(NC(=O)C(=O)NCCN2CCNC2=O)c1 891924786 RGBRUKFJDVKSHU-UHFFFAOYSA-N 300.318 -0.252 30 20 DBED C#CCSCC(=O)NS(=O)(=O)c1cnn2c1OCCC2 893081320 ZLEBCWPLVAQRAQ-UHFFFAOYSA-N 315.376 -0.163 30 20 DBED C#CC[C@@H](CO)NC(=O)NCCCN(CC)S(C)(=O)=O 914292694 YEYISUDEVSOZGB-NSHDSACASA-N 305.400 -0.659 30 20 DBED O=C(CNC(=O)NCC#CCO)NCCN1CCCCCC1 923765863 INCOYQTXFCQDKC-UHFFFAOYSA-N 310.398 -0.727 30 20 DBED O=C(NCC#CCO)N[C@@H]1CCCN(C(=O)N2CCCC2)C1 923769700 PFQJVZQDGPCLOS-CYBMUJFWSA-N 308.382 -0.039 30 20 DBED CN1N=C(C(=O)OCC(=O)N(CCC#N)CCC#N)CCC1=O 927569613 ILTSOEQOSAYVTD-UHFFFAOYSA-N 319.321 -0.206 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](NC(=O)Cn2nccn2)C1 936116490 KTIRSZZLUSJUOA-UPJWGTAASA-N 319.365 -0.414 30 20 DBED COc1nccc(C(=O)N[C@H]2CCN(C(=O)[C@H](C)C#N)C2)n1 938357735 ABFRDJLWSFNBPM-ZJUUUORDSA-N 303.322 -0.024 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2ncc[nH]2)C1 941237688 FWHVEBMLQMXYDL-OLZOCXBDSA-N 315.377 -0.162 30 20 DBED CC#CCN1CC[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)[C@@H](C)C1 944533316 PIJADUMYQPDEDJ-GXTWGEPZSA-N 319.409 -0.260 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]1CNC(=O)c1cccc(=O)n1C 952018737 NHWRJYFVPVVSDQ-GHMZBOCLSA-N 302.334 -0.124 30 20 DBED C=CCN1C[C@H](CNC(=O)c2cccc3ncnn23)[C@@H](O)C1 958223714 PWXIFKOKEDYSRH-AAEUAGOBSA-N 301.350 -0.062 30 20 DBED Cn1nc(C(F)F)cc1C(=O)NC[C@H]1CN(CC#N)C[C@H]1O 958254415 OXLBLXLRSONLJT-GZMMTYOYSA-N 313.308 -0.096 30 20 DBED C#CCN1C[C@H](CNC(=O)c2ccnc(N(C)C)c2)[C@@H](O)C1 958453049 KCSKEFPTVLLGGG-KBPBESRZSA-N 302.378 -0.197 30 20 DBED N#CCN1C[C@H]2[C@H](NC(=O)c3ccc(OCC(N)=O)cc3)[C@H]2C1 960918363 BTRBMICLCIBJMZ-NHAGDIPZSA-N 314.345 -0.266 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CN(C(=O)Cn3cccn3)C[C@H]2C1 961009391 CTMYMELNLMUEKL-UPJWGTAASA-N 301.350 -0.040 30 20 DBED C=C(Cl)CN1C[C@@H]2C(NC(=O)CN3CC(=O)NC3=O)[C@H]2C1 962078239 TZZKHYXATGEJKO-IUCAKERBSA-N 312.757 -0.663 30 20 DBED C#Cc1ccc(C(=O)NC2[C@H]3CN(CC(=O)N4CCC4)C[C@H]23)cn1 962346226 XUIRLGOJORTBKL-GJZGRUSLSA-N 324.384 -0.045 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CN(C(=O)c3cnco3)CCO2)C1 965429658 FSAXHGQCFSCGFT-JTQLQIEISA-N 304.306 -0.112 30 20 DBED C#CCNC1CC2(C1)CC(NC(=O)[C@H]1CN(C(C)=O)CCO1)C2 965893724 QDKICLDCGVHNBT-UKEPKTAJSA-N 319.405 -0.116 30 20 DBED CC#CCN1CC[C@H](C)[C@@H](NC(=O)CN2C(=O)CCC2=O)C1 968631982 LHDJPPCCBJTFSE-STQMWFEESA-N 305.378 -0.015 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@@H](N[C@H]2CCNC2=O)C1 968955002 ZLDCRLKXXFCUCR-RDBSUJKOSA-N 304.394 -0.837 30 20 DBED C=CCN[C@@H]1CCN(C(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 969524089 FIJUCALMTDHSNA-SNVBAGLBSA-N 302.342 -0.316 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)CC2=CCOCC2)C1 970335262 IZHGAZHPAKJSHJ-UHTWSYAYSA-N 307.350 -0.429 30 20 DBED C=CCN1C[C@H]2CC[C@H]1CN2C(=O)c1cc(=O)n2[nH]cnc2n1 972012776 BDVNUVDRQYDABI-WDEREUQCSA-N 314.349 -0.108 30 20 DBED CC#CCN1CCO[C@]2(CCN(C(=O)CCn3cnnn3)C2)C1 972611647 JUFVTIQIQXPTLF-OAHLLOKOSA-N 318.381 -0.610 30 20 DBED CC(=O)N1CC(C(=O)N(C)C[C@H]2CCN2C(=O)C#CC2CC2)C1 977638142 KRTYXZSFPCKPRY-OAHLLOKOSA-N 317.389 -0.063 30 20 DBED C#CCN[C@H]1CCC[C@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)C1 981504262 ZNKCHRXMUFNOQT-RYUDHWBXSA-N 320.393 -0.033 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](N(C)C(=O)C(N)=O)C1 984671831 ZABRSAUSPQJIQV-UTUOFQBUSA-N 309.366 -0.488 30 20 DBED C#CCN(C)C1CCN(C(=O)c2cn(C)c(=O)nc2O)CC1 985785866 AKLSNPXKRJVRAB-UHFFFAOYSA-N 304.350 -0.345 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)C(N)=O)[C@H]2C)nc1 989590072 UGEZUFFPEJQLFB-KOLCDFICSA-N 300.318 -0.733 30 20 DBED N#CCN1CC[C@@]2(NC(=O)c3cn(CC(N)=O)nn3)CCC[C@H]12 992533974 ZJTYGRDFKAETHP-FZMZJTMJSA-N 317.353 -0.986 30 20 DBED C=C(C)CN[C@@H]1CN(C(=O)C[C@@H]2NC(=O)NC2=O)CC1(C)C 995912166 VFEONTXDBKISPE-WDEREUQCSA-N 308.382 -0.013 30 20 DBED C=CCN[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)N2)CC1(C)C 996639746 BSODGFGGZCULIU-GHMZBOCLSA-N 301.412 -0.309 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)c3cnn(C)c3N)C2)cn1 997089202 DFLYCDUXNWMEFE-UHFFFAOYSA-N 324.344 -0.367 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 997638670 AQBQSYNWCKPPRE-XRRVDJEJSA-N 307.350 -0.475 30 20 DBED C#CCN[C@H]1CN(C(=O)Cn2cnnn2)CC[C@@H]1C(F)(F)F 998230739 HBEZIIUVTMEOKY-UWVGGRQHSA-N 316.287 -0.325 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)c2cn(C)c(O)n2)C1 999074542 KJZXMNKMXZEQDK-PWSUYJOCSA-N 320.349 -0.343 30 20 DBED C#CCN1CC[C@H](n2cc(CNC(=O)[C@@]34COC[C@@H]3C4)nn2)C1 999994563 YTKZJEIQJCLZJB-NOLJZWGESA-N 315.377 -0.189 30 20 DBED CC#CCN1CC[C@@H](n2cc(CNC(=O)c3nc[nH]n3)nn2)C1 1000028262 GPILIJUFCRIYOO-GFCCVEGCSA-N 314.353 -0.404 30 20 DBED C[C@@H](NC(=O)[C@H]1CCC(=O)N1)C1CN(C(=O)C#CC2CC2)C1 1005810250 KHZFVNXSQSZTEH-ZWNOBZJWSA-N 303.362 -0.359 30 20 DBED Cc1c(C(=O)N[C@H](C)C2CN(C(=O)[C@@H](C)C#N)C2)nnn1C 1005840184 DIGLVSNCSNQDQP-DTWKUNHWSA-N 304.354 -0.140 30 20 DBED C[C@H]1C[C@@H](CNC(=O)c2c[nH]c(C#N)c2)CN1C(=O)C(N)=O 1010286180 VBOQDXLGGACRAE-IUCAKERBSA-N 303.322 -0.662 30 20 DBED C#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1COCCN1C(C)=O 1018291623 HSMNRWIEYMFHNK-ZNMIVQPWSA-N 305.378 -0.458 30 20 DBED C[C@@H]1CN(C(=O)C(N)=O)CC[C@@H]1CNC(=O)c1cc(C#N)c[nH]1 1020798637 JXPNNNSPXVKCMY-MWLCHTKSSA-N 317.349 -0.414 30 20 DBED C=CCN1CC[C@@H](CNC(=O)c2cn(C)c(=O)n(C)c2=O)C1 1028841677 ZLEXMCFRVVNFGR-NSHDSACASA-N 306.366 -0.678 30 20 DBED CC#CCN1CC[C@H](CNC(=O)c2cn(C)c(=O)nc2O)C1 1028980430 QZTSQZMTVNGFEH-LLVKDONJSA-N 304.350 -0.439 30 20 DBED CC#CCN1CC(NC(=O)c2cn(C[C@@H]3CCOC3)nn2)C1 1031164695 NBIGLPMHAKVIHW-LBPRGKRZSA-N 303.366 -0.248 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2CC(=O)Nc1cnccn1 1032316793 GXZPVWBDNZVKPD-WOPDTQHZSA-N 314.349 -0.140 30 20 DBED N#CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1Cc2cncn2C(=O)N1 1032536637 SLGXZIRXKKOBEF-SRVKXCTJSA-N 300.322 -0.826 30 20 DBED C=CCCN1CC[C@@H](N(C)C(=O)c2cn(C)c(=O)n(C)c2=O)C1 1033472907 JRWOXOGUYGKMRL-GFCCVEGCSA-N 320.393 -0.194 30 20 DBED N#CCN1CCO[C@H](CNC(=O)c2cccc3nn[nH]c23)C1 1035386517 ZRZSIMJJJDVVQZ-SNVBAGLBSA-N 300.322 -0.088 30 20 DBED C#CCCN1CCO[C@H](CNC(=O)c2nccnc2C(N)=O)C1 1035598058 RSPBYBBBJPPQNA-LLVKDONJSA-N 317.349 -0.971 30 20 DBED C#CCN[C@@H]1CCN(C(=O)CCN2C(=O)CCC2=O)C[C@@H]1C 1036108293 IYJXVBANKKYZOC-QWHCGFSZSA-N 305.378 -0.015 30 20 DBED C[C@@H]1CN(C(=O)CCn2ncn(C)c2=O)CC[C@H]1NCC#N 1036115296 LLFLBURFNULMRI-VXGBXAGGSA-N 306.370 -0.678 30 20 DBED C#CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1coc(S(N)(=O)=O)c1 1037471129 AWZDUEPVLFMBQZ-UBHAPETDSA-N 309.347 -0.637 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@]1(O)CCN(C(=O)c2cocn2)C1 1039579021 CLHXWLZJAYLKBA-GJZGRUSLSA-N 323.349 -0.305 30 20 DBED O=C(C#CC1CC1)NC[C@@]1(O)CCN(C(=O)Cn2ccnc2)C1 1039685273 MCGARFQCTJWDFW-INIZCTEOSA-N 316.361 -0.624 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@](O)(CNC(=O)C2(C)CC2)C1 1040073823 MILNXARNRVFEJV-INIZCTEOSA-N 321.377 -0.994 30 20 DBED CCN(C)C(C)(C)C(=O)NC[C@@]1(O)CCN(C(=O)[C@H](C)C#N)C1 1040183176 XMYOBJSHBVPMDY-WBMJQRKESA-N 324.425 -0.044 30 20 DBED Cc1cncn1CC(=O)NC[C@]1(O)CCN(C(=O)[C@H](C)C#N)C1 1040316833 RCQQIXIVNAXNNJ-IAQYHMDHSA-N 319.365 -0.569 30 20 DBED C=CCCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2cn[nH]c2)C1 1041657084 DMBUFSDJINJRTE-NSHDSACASA-N 322.365 -0.306 30 20 DBED N#Cc1ccc(N[C@@H]2C[C@H]3CC[C@H]2N(C(=O)C(N)=O)C3)nn1 1041678709 KNKBZWLEOBXCON-FBIMIBRVSA-N 300.322 -0.375 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)C[C@H]2CCC(=O)NC2)C1 1041960259 KIWZFPWJIKOAFF-GFCCVEGCSA-N 323.393 -0.442 30 20 DBED C=CCN1CC[C@@H](N2CC(N(C)C(=O)[C@@H]3COCCO3)C2)C1=O 1042494694 LAQQFCWVLIUPCW-KGLIPLIRSA-N 323.393 -0.669 30 20 DBED N#Cc1ccc(C(=O)NCC2(O)CN(C(=O)c3cnco3)C2)[nH]1 1042612319 HBZLTHPTGYFMAX-UHFFFAOYSA-N 315.289 -0.509 30 20 DBED O=C(C#CC1CC1)NCC1(O)CN(C(=O)C[C@H]2CCOC2)C1 1042958360 LHBVTJNRDBHSSC-CYBMUJFWSA-N 306.362 -0.484 30 20 DBED CCO[C@H](C(=O)NCC1(O)CN(C(=O)[C@H](C)C#N)C1)C(C)C 1043034749 SMMOEJRMZBDNPI-NEPJUHHUSA-N 311.382 -0.103 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1043040377 RMEIMFQIXNLZJX-LBPRGKRZSA-N 304.346 -0.872 30 20 DBED CC(C)n1nccc1C(=O)NCC1(O)CN(C(=O)[C@H](C)C#N)C1 1043204563 ZIPOLNSPYPUEDU-LLVKDONJSA-N 319.365 -0.073 30 20 DBED CN(C(=O)C1(n2cnnn2)CCCCC1)C1CN(CC#N)C1 1043519096 AEQFXFDIGTVTAN-UHFFFAOYSA-N 303.370 -0.001 30 20 DBED C=C(C)C[C@@H](C)C(=O)N1CC(O)(CNC(=O)[C@@H]2CCNC2=O)C1 1044455626 HAKKMUPYQGOHGG-VXGBXAGGSA-N 323.393 -0.586 30 20 DBED CC#CCCCC(=O)NCC1(O)CN(C(=O)C2(C(N)=O)CC2)C1 1044993899 GQMXTTMFYIGLTH-UHFFFAOYSA-N 321.377 -0.865 30 20 DBED CC#CCCCC(=O)N1CC(O)(CNC(=O)c2ncccn2)C1 1045216751 IFROUPPKVKNNLY-UHFFFAOYSA-N 316.361 -0.027 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)C(=O)NCC2CC2)C1 1045352309 YBZMZLPYGGDWRL-UHFFFAOYSA-N 321.377 -0.994 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(O)(CNC(=O)c2oncc2C)C1 1045675491 IFOJESWJXVEZAL-AWEZNQCLSA-N 323.349 -0.387 30 20 DBED C=C[C@@](C)(CC)C(=O)NCC1(O)CN(C(=O)CNC(C)=O)C1 1045777091 DJIHAARIIWMSNE-AWEZNQCLSA-N 311.382 -0.586 30 20 DBED C#CCN1CC[C@H](N2CCN(C(=O)CN3CCCC3)CC2)C1 1046082909 YABXVDRUULXUCJ-INIZCTEOSA-N 304.438 -0.066 30 20 DBED C=CCN1CC[C@@H](NC[C@]2(C)CCN(C(=O)C(N)=O)C2)C1=O 1046903159 OPWIMNOEQJNOCY-ABAIWWIYSA-N 308.382 -0.913 30 20 DBED CN1C(=O)CN(CC(=O)N[C@@H]2C[C@H]3C[C@@H](C2)N(CC#N)C3)C1=O 1047181489 MWDSAWFORAIJSD-TUAOUCFPSA-N 319.365 -0.627 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CN(C)CCO2)C1 1047334830 UKKUKGHUZDVNLQ-AVGNSLFASA-N 317.817 -0.427 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2COCCN2CC)C1 1047433751 KNGLERSJVMHTFH-KKUMJFAQSA-N 309.410 -0.766 30 20 DBED C=C(C)CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 1047549290 RIBRSAPRVKHFIV-SRVKXCTJSA-N 324.381 -0.946 30 20 DBED C=CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC(=O)N(C)C2)C1 1047640196 LDPXCRXAAAHFQK-RDBSUJKOSA-N 309.410 -0.066 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2COCCO2)C1 1048328296 YIWFVQXCAIZBJN-RWMBFGLXSA-N 312.366 -0.602 30 20 DBED C=C(C)CCC(=O)N(C)[C@H]1CN(C(=O)c2cn(C)nn2)C[C@@H]1O 1048937525 OCGHIBUSZPKCBG-STQMWFEESA-N 321.381 -0.185 30 20 DBED C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1cnc(C(N)=O)n1 1049483518 YGOFLZLKENZVIG-RYUDHWBXSA-N 318.381 -0.372 30 20 DBED COc1ccnc(O)c1C(=O)NC[C@@H]1COCCN1CC#N 1051210850 OCRFAGNSKXDAOI-SNVBAGLBSA-N 306.322 -0.250 30 20 DBED N#Cc1cc(C(=O)N2CCO[C@@H](CN[C@H]3CCNC3=O)C2)c[nH]1 1051561991 DOPXCMTUOQQQMM-STQMWFEESA-N 317.349 -0.795 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)[C@H](OC)[C@@H]1CCOC1)CCO2 1053357572 WTTMWQOIZGYRRY-HUUCEWRRSA-N 322.405 -0.026 30 20 DBED C[C@H](O)CN1CC2(C[C@@H](NC(=O)c3ccc(C#N)[nH]3)CO2)C1 1053781464 KURKMNIMOZCPID-CMPLNLGQSA-N 304.350 -0.160 30 20 DBED C=CCN1CC2(C[C@@H](NC(=O)c3cn(CCOC)nn3)CO2)C1 1053796182 DFNYDXUXKZOWIM-GFCCVEGCSA-N 321.381 -0.316 30 20 DBED NC(=O)C(=O)N[C@@H]1COC2(C1)CN(CC#Cc1ccccc1)C2 1053911899 PJSTYNHNJSCJTF-AWEZNQCLSA-N 313.357 -0.517 30 20 DBED C=CCCC(=O)N[C@]1(CO)CCCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 1055823638 HKJIJSQETBLWSK-BFQNTYOBSA-N 323.393 -0.456 30 20 DBED Cc1cc(C#N)nc(N2CCN(C(=O)[C@@H]3CCNC3=O)CC2)n1 1055973736 CMKHGUUIBKRIHM-GFCCVEGCSA-N 314.349 -0.559 30 20 DBED Cn1ncc(C(=O)NC2[C@H]3CN(c4cncc(C#N)n4)C[C@H]23)c1N 1056176484 PPNQAWBAASOQEK-QWRGUYRKSA-N 324.348 -0.471 30 20 DBED N#Cc1cnc(N2C[C@H]3[C@H](NC(=O)[C@@H]4COC(=O)N4)[C@H]3C2)cn1 1056193123 BPYAWDIKSDASBV-MIZYBKAJSA-N 314.305 -0.993 30 20 DBED Cn1nncc1C(=O)NC1[C@H]2CN(c3ncccc3C#N)C[C@H]12 1056194917 PXGRZWXLQDUEBR-QWRGUYRKSA-N 309.333 -0.054 30 20 DBED Cn1cc(C(=O)N[C@H]2[C@@H]3CN(c4ccc(C#N)cn4)C[C@@H]32)nn1 1056198173 JLWWLSIGVGRICP-YABSGUDNSA-N 309.333 -0.054 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)[C@H]1CC[C@@H]1C(N)=O 1057174036 ODNPVPQLFLBWJT-RYUDHWBXSA-N 311.382 -0.599 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)c1cc(C#N)c[nH]1 1057291569 JNOXYHHQEXPYKV-SNVBAGLBSA-N 303.322 -0.403 30 20 DBED C=C[C@@](C)(CC)C(=O)NCCN(CCO)C(=O)c1cnnn1C 1057474149 CEQRXNSZDYZNBR-HNNXBMFYSA-N 323.397 -0.032 30 20 DBED Cc1ccc(C(=O)NCCN(CCO)C(=O)C#CC(C)C)nn1 1057517503 UXCIOERMOSKRFO-UHFFFAOYSA-N 318.377 -0.005 30 20 DBED N#Cc1nc(=N[C@H]2CCCN(C(=O)Cn3nccn3)C2)cc[nH]1 1057703264 PWDODLIOJXDSTC-NSHDSACASA-N 312.337 -0.535 30 20 DBED C=CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)CC(C)(C)O 1057922173 YREMKRFQYDUDGR-LBPRGKRZSA-N 316.398 -0.324 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)c1ccc(C(N)=O)o1 1058652565 AGXMZRCYWRLXQK-VIFPVBQESA-N 322.321 -0.911 30 20 DBED COc1cccc(C(=O)NCCN(CCO)C(=O)[C@H](C)C#N)n1 1058657420 YVBRQZOSVSNRKV-LLVKDONJSA-N 320.349 -0.199 30 20 DBED Cc1ccn(CC(=O)NCCN(CCO)C(=O)[C@@H](C)C#N)n1 1058658799 LWQPSAPOJCFUCM-NSHDSACASA-N 307.354 -0.712 30 20 DBED CN1CCOC[C@H]1C(=O)N[C@H]1C[C@@H](Nc2nccnc2C#N)C1 1059598110 TUHDQVKNEODLBW-LOWVWBTDSA-N 316.365 -0.262 30 20 DBED C[C@H](NC(N)=O)C(=O)NCC[C@@H]1CCN(C(=O)C#CC2CC2)C1 1059620740 HYEAZQKUTUOIQA-WCQYABFASA-N 320.393 -0.189 30 20 DBED C#CCOCCC(=O)N1CC[C@H](CCNC(=O)c2cnn[nH]2)C1 1059647851 IAUBFOMKPNDLBI-LBPRGKRZSA-N 319.365 -0.187 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](CCNC(=O)c2cn(C)nn2)C1 1060290130 XEHQBTRPNXVGGM-MNOVXSKESA-N 304.354 -0.057 30 20 DBED C=CCCOCC(=O)N[C@H]1CC[C@H](CNC(=O)C(N)=O)CC1 1060751740 XWXJGTTVMYZVCL-HAQNSBGRSA-N 311.382 -0.144 30 20 DBED N#CCSCC(=O)NC[C@H]1COCCN1C(=O)c1ccon1 1061318034 OGYLPOJJCITXNN-JTQLQIEISA-N 324.362 -0.111 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)CN1CCCC1 1061598995 JKKOHZYZMDFBIO-OLZOCXBDSA-N 308.382 -0.415 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CCCCN1C(=O)Cn1cnnc1O 1062144152 XYPNTAFXNYQARC-WDEREUQCSA-N 320.353 -0.359 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(NC(=O)CNC(C)=O)CCC1 1062866047 KLPMJHRWKKRPKM-AWEZNQCLSA-N 311.382 -0.395 30 20 DBED C#CCOCCC(=O)NC1(CNC(=O)c2cnnn2C)CCC1 1062900881 HQHKPEINBFLFFT-UHFFFAOYSA-N 319.365 -0.376 30 20 DBED CN(C(=O)[C@@H]1CCC(=O)N1)[C@H]1CCN(c2cncc(C#N)n2)C1 1062959947 LODOVYHGSYDLQR-RYUDHWBXSA-N 314.349 -0.336 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2)CCO1 1064974317 QKHZGFHEFRDGKE-VXGBXAGGSA-N 309.366 -0.425 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CN(C(=O)c2nccnc2N)CCO1 1064994054 XLZWCGAGVNQADI-NXEZZACHSA-N 318.337 -0.824 30 20 DBED C=CCO[C@H](C)C(=O)N1CCO[C@H](CNC(=O)c2nc[nH]n2)C1 1065278478 KSECEHHUVOIJKV-GHMZBOCLSA-N 323.353 -0.647 30 20 DBED CC#CCCCC(=O)N1CCO[C@H](CNC(=O)CNC(C)=O)C1 1065481105 RGSRDFIXGSGGDJ-CQSZACIVSA-N 323.393 -0.340 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CN(C(=O)c2ccc(O)nc2)CCO1 1065608272 IZKYTPVOWZOGQN-PWSUYJOCSA-N 318.333 -0.096 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCC[C@H](NC(=O)CC(N)=O)CC1 1066014474 JFANUDALEMCTKM-RYUDHWBXSA-N 311.382 -0.050 30 20 DBED N#Cc1ccc(NC[C@H]2CN(C(=O)CC(N)=O)CCO2)nc1 1066607630 SZMKFBDHZZJEDA-NSHDSACASA-N 303.322 -0.532 30 20 DBED N#Cc1ccc(N2C[C@H](CNC(=O)c3ccccn3)[C@@H](O)C2)nn1 1067642255 AGLWMSDPEOJYHH-FZMZJTMJSA-N 324.344 -0.030 30 20 DBED Cc1cc(C#N)nc(N2CC[C@@H](C)[C@H](NC(=O)C(N)=O)C2)n1 1067988670 FMYCZELMYZCVJH-LDYMZIIASA-N 302.338 -0.527 30 20 DBED C=C(C)CCC(=O)N1CCOC2(C1)CN(C(=O)CNC(N)=O)C2 1068402681 KEHGSZODBBGAKO-UHFFFAOYSA-N 324.381 -0.549 30 20 DBED C#CCOCCC(=O)N1CC2(C[C@H](NC(=O)[C@@H](C)OC)CO2)C1 1068733844 YYJHHGYRSUGZQV-OLZOCXBDSA-N 324.377 -0.453 30 20 DBED C=CCCC(=O)N[C@@H]1COC2(C1)CN(C(=O)CNC(N)=O)C2 1068748906 ZOQTVUNNWRJUOZ-JTQLQIEISA-N 310.354 -0.893 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)C[C@@H]2COC(=O)C2)C1 1069910029 BEEHERSISPZXHA-XQQFMLRXSA-N 317.349 -0.794 30 20 DBED C=CCOCC(=O)N1CCC[C@@H](NC(=O)C[C@@H]2CCC(=O)N2)C1 1070554256 NDGIDEPXTZLHFQ-QWHCGFSZSA-N 323.393 -0.035 30 20 DBED C[C@@H]1OCCC[C@H]1C(=O)N1CCC(=O)NCCN(CC#N)CC1 1070956627 VLMRIILLTAIELN-UONOGXRCSA-N 322.409 -0.024 30 20 DBED CN1CC[C@H](CC(=O)N2CCC(=O)NCCN(CC#N)CC2)C1 1071015876 XXTBOOIOLCSJCE-CQSZACIVSA-N 321.425 -0.498 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CCCN(C(=O)[C@]2(C)CCC(=O)N2)C1 1071277827 IERWHXHOITVSAT-RWSFTLGLSA-N 306.366 -0.078 30 20 DBED C[C@@H]1CC[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)CN1CC#N 1071549839 VDORRURIILJEBA-NEPJUHHUSA-N 319.365 -0.960 30 20 DBED C#CCOCCC(=O)N1CC[C@H](NC(=O)CNC(C)=O)[C@H](C)C1 1073660166 YPQVZQUNBPUOIR-OCCSQVGLSA-N 323.393 -0.484 30 20 DBED Cn1ccnc1CN1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 1076906258 SOWIALKKQGQTKF-CHWSQXEVSA-N 314.349 -0.405 30 20 DBED C#CCOCCC(=O)N[C@@H](C)CCNC(=O)c1c[nH]c(=O)cn1 1078078019 CUPKSMINFKWTLC-NSHDSACASA-N 320.349 -0.566 30 20 DBED CCN(C(=O)c1cc(C#N)c[nH]1)C1CN(C(=O)CNC(N)=O)C1 1079565154 GCKRYGHWXHTCHV-UHFFFAOYSA-N 318.337 -0.772 30 20 DBED C#CCCCC(=O)N1CC(N(CC)C(=O)[C@H](C)NC(N)=O)C1 1079664959 JDVKMICUMOJSPA-NSHDSACASA-N 308.382 -0.094 30 20 DBED C=CCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)[C@@H]2CCNC2=O)C1 1079982879 LQZWSALWFOTOOY-WCQYABFASA-N 323.393 -0.227 30 20 DBED CCN(C(=O)CCc1cnn(C)n1)C1CN(C(=O)[C@H](C)C#N)C1 1080566549 XXXOISARTLDPHN-LLVKDONJSA-N 318.381 -0.033 30 20 DBED C#CCC1(C(=O)N2C[C@@H](O)[C@@H](CNC(C)=O)C2)CCOCC1 1081129471 UUUJYWLHMJFUPV-UONOGXRCSA-N 308.378 -0.238 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C[C@H]1O 1081438431 CGKYHLLQIRIFLZ-ZHMBSYLPSA-N 320.389 -0.382 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)CCCC(N)=O)C[C@@H]1O 1081444356 HSRFXLGYADVQFE-OLZOCXBDSA-N 323.393 -0.619 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)Cc2ccnn2C)C1 1081444475 JJYKQJHVUQSLAK-GXTWGEPZSA-N 320.393 -0.136 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cnnc(O)c2)C1 1081556068 JRUWAHRYDPDFRU-NWDGAFQWSA-N 320.349 -0.303 30 20 DBED CCN(C)CCC(=O)NC[C@H]1CN(C(=O)C#CC(C)C)C[C@@H]1O 1081773704 FHAVNODHUDMXHI-GJZGRUSLSA-N 323.437 -0.077 30 20 DBED C[C@H](C#N)C(=O)N1CCCC[C@H]1CNC(=O)CCn1cnnn1 1082265942 NUJIAVNAAGMIBM-NEPJUHHUSA-N 319.369 -0.280 30 20 DBED C#CCN1C[C@@H](NC(=O)c2cccn3c(O)nnc23)[C@H](OC)C1 1082323916 SQHHESRGOLOHFJ-VXGBXAGGSA-N 315.333 -0.503 30 20 DBED C=C(C)CN[C@@H]1CN(C(=O)CC[C@@H]2NC(=O)NC2=O)C[C@H]1C 1082908590 SYVAZPMGEOBVEO-GRYCIOLGSA-N 308.382 -0.013 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)Cc2cc(=O)n(CC(C)C)[nH]2)C1 1083612068 ABVCVJCIULUWCV-KGLIPLIRSA-N 320.393 -0.831 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)Cn2cnc3c2CCCC3)C1 1083647123 NFWIWMOSAARPRD-HIFRSBDPSA-N 302.378 -0.444 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)c2ccc3nc(O)[nH]c3n2)C1 1083730672 LZVMZRRDBGTKJS-NEPJUHHUSA-N 315.333 -0.538 30 20 DBED C#CCN1C[C@H]2CC[C@H]1[C@@H]1CN(C(=O)Cn3cnnc3O)C[C@H]21 1087351204 OHURVPNOFCRJKH-SYQHCUMBSA-N 315.377 -0.214 30 20 DBED CCN(c1ccnc(C#N)n1)[C@H](C)CNC(=O)CNC(=O)NC 1089770451 XVVSMVJCSSXLBX-SNVBAGLBSA-N 319.369 -0.392 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CCN(Cc3cnon3)C[C@@H]2O)c[nH]1 1090195465 VBNCFEQXEINOIG-OLZOCXBDSA-N 316.321 -0.365 30 20 DBED CN(C)c1ccnc(C(=O)N[C@@H]2CCN(CC#N)C[C@@H]2O)c1 1090838900 GRNVKHKVRAXGJY-OCCSQVGLSA-N 303.366 -0.164 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CN(c2ccc3nccnc3n2)C[C@@H]1O 1091082943 OJVLVOQMCSBFRR-WCQGTBRESA-N 312.333 -0.150 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@@H]1O 1091092853 OKAFYGKSTZMXEN-WWGRRREGSA-N 316.361 -0.054 30 20 DBED N#CCSCC(=O)N[C@@H]1CCN(c2ncccn2)C[C@@H]1O 1092137181 KINNOOBBFBKTOG-MNOVXSKESA-N 307.379 -0.211 30 20 DBED CC(=O)N(C)CC(=O)N[C@H]1[C@@H]2CN(c3ccc(C#N)nc3)C[C@@H]21 1093218227 RWRLEZOSSVPCIZ-FOLVSLTJSA-N 313.361 -0.018 30 20 DBED N#Cc1ccc(NCCNC(=O)C[C@H]2CC(=O)NC2=O)nc1 1093717341 JCEYUDGRBQDTKL-JTQLQIEISA-N 301.306 -0.466 30 20 DBED N#Cc1nc(=NCCNC(=O)[C@H]2CN3CCC2CC3)cc[nH]1 1093897653 BXYXLLWULKLBOR-LBPRGKRZSA-N 300.366 -0.360 30 20 DBED CCN1CCOC[C@@H]1C(=O)NCCN=c1cc(C)[nH]cc1C#N 1093978055 VCDBRLODONKRAD-OAHLLOKOSA-N 317.393 -0.068 30 20 DBED N#Cc1nc(=NCCNC(=O)Cc2ccccc2C(N)=O)cc[nH]1 1094030592 VLCYLYXWQUWBID-UHFFFAOYSA-N 324.344 -0.360 30 20 DBED Cc1cnc(COCC(=O)NCCN=c2cc[nH]c(C#N)n2)o1 1094265555 MRTLKJIQQCXTGF-UHFFFAOYSA-N 316.321 -0.189 30 20 DBED Cn1cccc1C(=O)N1CCN(CC#N)[C@H]2CS(=O)(=O)C[C@H]21 1094606301 QLODDSYOMDTHIS-QWHCGFSZSA-N 322.390 -0.528 30 20 DBED N#Cc1cncc(NCCCNC(=O)[C@H]2CCCNC2=O)n1 1094628266 OPYYUWSITFTYNG-NSHDSACASA-N 302.338 -0.207 30 20 DBED C#CCCN1CC(N2C[C@H](NC(=O)[C@@]34COC[C@@H]3C4)CC2=O)C1 1094739999 FXQLOHPBDLSAAU-AHIWAGSCSA-N 317.389 -0.553 30 20 DBED CC(=O)NCC(=O)NC1CCN(c2nc(C)cc(C#N)n2)CC1 1095387570 HURUJOVXRKTVQG-UHFFFAOYSA-N 316.365 -0.122 30 20 DBED C[C@@H](C#N)C(=O)NCCN1CCN(c2nccnc2C#N)CC1 1096278557 VPSHGZDLADYUQP-LBPRGKRZSA-N 313.365 -0.254 30 20 DBED C[C@@H](CC(N)=O)C(=O)N[C@H]1C[C@@H](N=c2cc[nH]c(C#N)n2)C1 1097239855 DQOFNDCPVZMTOG-LPEHRKFASA-N 302.338 -0.659 30 20 DBED CNC(=O)CC(=O)NC[C@@H]1CCCN(c2ccc(C#N)nn2)C1 1097295679 LJXSMVGEMDJTME-NSHDSACASA-N 316.365 -0.183 30 20 DBED C[C@@H](CNC(=O)[C@H](C)N1CCOCC1)Nc1cncc(C#N)n1 1097925911 UXUGOEGOFPTABE-RYUDHWBXSA-N 318.381 -0.014 30 20 DBED C[C@H](CCNC(=O)[C@@H]1[C@H]2COC[C@H]21)N=c1cc[nH]c(C#N)n1 1099636617 OXDLSNRJGHEADT-PUHVVEEASA-N 301.350 -0.031 30 20 DBED CC(C)(C)C#CC(=O)N[C@@H]1CCN(Cc2nc(O)n[nH]2)C[C@@H]1O 1099830153 NMMXDZAJCFVVQE-MNOVXSKESA-N 321.381 -0.389 30 20 DBED C=CCCCC(=O)N[C@@H]1CCN(CCN2CCNC2=O)C[C@H]1O 1099976668 PVJXIEMLYOXTCL-ZIAGYGMSSA-N 324.425 -0.081 30 20 DBED Cc1cc(C#N)nc(N(C)CCNC(=O)CS(C)(=O)=O)n1 1099977063 SDCQCIMJZQTZQI-UHFFFAOYSA-N 311.367 -0.746 30 20 DBED COC[C@@]1(C(=O)NCCN(C)c2nccnc2C#N)CCOC1 1100238772 RKNPFPVDNWHMQG-HNNXBMFYSA-N 319.365 -0.046 30 20 DBED C#CCNC(=O)CC(=O)NCCN(CC)c1ccc(C)nn1 1100496854 HZCZPSMHROZJMW-UHFFFAOYSA-N 303.366 -0.133 30 20 DBED CC(C)(C(N)=O)C(=O)NC[C@@H]1CCCN1c1cncc(C#N)n1 1100876909 NRBAUTZGOZFJAX-NSHDSACASA-N 316.365 -0.055 30 20 DBED C#CCNC1CC(CNC(=O)CNS(=O)(=O)CCCC)C1 1100917792 PTIBCFVYDXAXCC-UHFFFAOYSA-N 315.439 -0.177 30 20 DBED Cc1cc(C#N)nc(NCCN(C)C(=O)[C@H]2CCC(=O)N2)n1 1101547333 VBASBIYPKBELSS-LLVKDONJSA-N 302.338 -0.194 30 20 DBED CN(CCNc1cnc(C#N)cn1)C(=O)c1ccc2nnnn2c1 1101856136 FZBWCJZSAKZAKQ-UHFFFAOYSA-N 323.320 -0.030 30 20 DBED Cc1cc(C#N)nc(N2CC[C@@H](N(C)C(=O)CNC(N)=O)C2)n1 1102667922 AAUQTULVKKZOOW-LLVKDONJSA-N 317.353 -0.638 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1CCNC(=O)c1cc(=O)n(C)cn1 1103100638 AYOSZMMNNQOYSA-VXGBXAGGSA-N 303.366 -0.008 30 20 DBED C[C@@](CN=c1cc[nH]cc1C#N)(NC(=O)CNC(N)=O)C1CC1 1103481621 VEXYARHTLDKRAZ-HNNXBMFYSA-N 316.365 -0.260 30 20 DBED C[C@@H](CNC(=O)c1cnnn1C)CNc1ccc(C#N)nn1 1103962490 YRYKKVRUGQHXGK-SECBINFHSA-N 300.326 -0.045 30 20 DBED C#CCCNCc1cn(C2CN(C(=O)C3=COCCO3)C2)nn1 1105145219 RWKZYLJQABXFKY-UHFFFAOYSA-N 317.349 -0.338 30 20 DBED C=CCNCc1cn(C2CN(C(=O)Cc3cncnc3)C2)nn1 1105224035 UOULDBZSXWCRFL-UHFFFAOYSA-N 313.365 -0.030 30 20 DBED C=CCNCc1cn(C2CN(C(=O)[C@@H](C)CC(N)=O)C2)nn1 1105301884 XZXWZOYLUYDDQW-JTQLQIEISA-N 306.370 -0.552 30 20 DBED CN(CCN(C)c1ccncc1C#N)C(=O)[C@H]1CNC(=O)N1 1105541302 SVPKWALVAYMTFG-LLVKDONJSA-N 302.338 -0.471 30 20 DBED CN1CCC[C@H]1C(=O)NC[C@@H](O)CNc1ncccc1C#N 1105756491 VKISWKOQWWZUSU-STQMWFEESA-N 303.366 -0.064 30 20 DBED Cc1conc1C(=O)NC[C@@H](O)CNc1nccnc1C#N 1105956322 YIGYZCDNOGXNIV-VIFPVBQESA-N 302.294 -0.153 30 20 DBED N#Cc1cccnc1NC[C@H](O)CNC(=O)[C@@H]1CCCNC1=O 1105998716 FBWNPJDHAQOUIB-NWDGAFQWSA-N 317.349 -0.632 30 20 DBED N#Cc1cnc(NC[C@@H](O)CNC(=O)C2(C(N)=O)CC2)c(F)c1 1106097991 OHEVPRVOTRRGOD-SECBINFHSA-N 321.312 -0.753 30 20 DBED C=CCNC(=O)CNC[C@@H]1CN(C(=O)c2cnn[nH]2)C[C@H]1C 1106370665 WITUVPCGTBRIAH-GHMZBOCLSA-N 306.370 -0.595 30 20 DBED CS(=O)(=O)CC(=O)NC/C=C\CNc1nccnc1C#N 1107105159 KVHULCAJUAULSS-IHWYPQMZSA-N 309.351 -0.523 30 20 DBED C=CCN1CC(n2cc(CNC(=O)CO[C@H]3CCOC3)nn2)C1 1107172891 QBJSJUYXRBHHLH-AWEZNQCLSA-N 321.381 -0.258 30 20 DBED N#CCN1CC(n2cc(CNC(=O)Cc3cnoc3)nn2)C1 1107198869 VXQOKHKRHHWSGG-UHFFFAOYSA-N 301.310 -0.495 30 20 DBED C[C@H](CC(=O)NC/C=C\CNc1cncc(C#N)n1)NC(N)=O 1107350021 CAZQSSYSVSHIQT-MXQLGCADSA-N 317.353 -0.121 30 20 DBED C[C@H](CC(N)=O)C(=O)NC/C=C/CN=c1cc[nH]cc1C#N 1107450979 HMJDDSKHOVHRAE-KXMPLOMGSA-N 301.350 -0.029 30 20 DBED C[C@H](CNc1ccc(C#N)nn1)NC(=O)C(=O)NCC(F)F 1108006381 JLYLHPSTPYCSKV-SSDOTTSWSA-N 312.280 -0.354 30 20 DBED C[C@H](CNc1nccnc1C#N)NC(=O)CCS(C)(=O)=O 1108198540 VOZGKDXUJHEEFG-SECBINFHSA-N 311.367 -0.300 30 20 DBED CC[C@@H]1C[C@H]1C(=O)NC[C@]1(C)CN(CC(=O)NCC#N)CCO1 1108228344 UMZGTQOYTHPSOP-XJKCOSOUSA-N 322.409 -0.121 30 20 DBED Cc1cc(C#N)nc(NC[C@H](C)NC(=O)Cn2cnnc2O)n1 1108315070 GHCKRHZNRZCCKA-VIFPVBQESA-N 316.325 -0.429 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)CCc3cnc[nH]3)CC2=O)C1 1108549399 JRSCAVFTIFCDLB-ZDUSSCGKSA-N 315.377 -0.623 30 20 DBED C#CCNC(=O)CC(=O)NCC1(Nc2nccnc2C#N)CC1 1110105900 VHMJFSFZDXJTBD-UHFFFAOYSA-N 312.333 -0.452 30 20 DBED CO[C@@H](C)C(=O)NC[C@]1(O)CCN(c2ccnc(C#N)n2)C1 1111025866 LLIKVTVFRVRCFP-IINYFYTJSA-N 305.338 -0.559 30 20 DBED N#Cc1nccc(N2CC[C@@](O)(CNC(=O)c3cc[nH]n3)C2)n1 1111031995 QBCPZCOTRMUKFX-CQSZACIVSA-N 313.321 -0.557 30 20 DBED CCCOCC(=O)N(C)[C@H]1CN(c2nccnc2C#N)C[C@@H]1O 1111184636 XHKZEWYMGMRWEF-STQMWFEESA-N 319.365 -0.217 30 20 DBED Cc1cc(C#N)nc(N(C)CCCN(C)C(=O)CNC(N)=O)n1 1112034123 SQNRSSQKYACLSW-UHFFFAOYSA-N 319.369 -0.390 30 20 DBED COCCC(=O)NC[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1O 1112689156 JJXMBHLSSQDYPC-GHMZBOCLSA-N 305.338 -0.702 30 20 DBED CC(=O)NCC(=O)NC[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1O 1112695419 USQHAUFBJPSVQW-CHWSQXEVSA-N 317.349 -0.997 30 20 DBED CSCC(=O)NC[C@H]1CN(c2nc(C)cc(C#N)n2)C[C@@H]1O 1112699890 KTOGBPAEYUDKMC-JQWIXIFHSA-N 321.406 -0.067 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(CCCS(=O)(=O)N(C)C)CC1 1112711216 UUCXNIHIVQDVSN-LBPRGKRZSA-N 316.427 -0.428 30 20 DBED CNC(=O)CC(=O)NC1CC(CNc2ccc(C#N)nn2)C1 1112830515 TXAMGUPLOBPVIC-UHFFFAOYSA-N 302.338 -0.209 30 20 DBED C#CCCN1CCN(C(=O)CNC(=O)C2CCOCC2)CC1 1113440724 LUVZVZZHDMSITB-UHFFFAOYSA-N 307.394 -0.303 30 20 DBED C=CCN1CC[C@H](N2C[C@H]3C(NC(=O)CCOC)[C@@H]3C2)C1=O 1113771097 ZIHYLLAKCQNPGW-UPJWGTAASA-N 307.394 -0.144 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)c3ncc[nH]3)[C@H]2C1 1114237928 VSZNQNNKSSWDFZ-DCAQKATOSA-N 303.366 -0.240 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)CCCn3ccnn3)[C@H]2C1 1114398129 AEPBWLYGYUKYLK-FOLVSLTJSA-N 317.393 -0.246 30 20 DBED N#Cc1ccc(N2C[C@H]3C(CNC(=O)CNC(N)=O)[C@@H]3C2)cn1 1114500898 QOTFBLHLRVVZKR-STQMWFEESA-N 314.349 -0.580 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)C3(COC)CC3)[C@H]2C1 1114559363 ADYSZOLVKYPIOT-RYUDHWBXSA-N 305.378 -0.791 30 20 DBED C#CCN1C[C@@H]2C(NC(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)[C@H]2C1 1114593434 WWMVYGPTOKGQDQ-VOAKCMCISA-N 305.378 -0.521 30 20 DBED CCn1ccc(C(=O)NC2[C@H]3CN(CC(=O)NCC#N)C[C@H]23)n1 1114921984 UOHLNLHYWQOUNB-QWRGUYRKSA-N 316.365 -0.797 30 20 DBED C=CCC[C@H](C)N1C[C@@H]2C(NC(=O)CN3CC(=O)NC3=O)[C@H]2C1 1114979752 DHRVJGRSCRURCB-SRVKXCTJSA-N 320.393 -0.061 30 20 DBED C=CCCOCC(=O)NC1[C@@H]2CN([C@H]3CCN(C)C3=O)C[C@@H]12 1115330787 TULAVAPVJXQBHJ-UPJWGTAASA-N 307.394 -0.144 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)CCc3cn(C)nn3)[C@H]2C1 1115359399 XAYKVENAHWTKTI-FOLVSLTJSA-N 317.393 -0.556 30 20 DBED COCCN1CC[C@@H](NC(=O)C(=O)Nc2ccc(C#N)cn2)C1 1117748658 HOVSYGKRWJCTJJ-GFCCVEGCSA-N 317.349 -0.271 30 20 DBED N#Cc1cnc(N[C@H](CO)CNC(=O)C2=COCCO2)c(F)c1 1121009919 GSIKMMMYDZRLQB-JTQLQIEISA-N 322.296 -0.130 30 20 DBED Cc1c(C(=O)NC[C@H](CO)Nc2cnc(C#N)cn2)cnn1C 1121045337 YJSOQBOQUVIDAH-LLVKDONJSA-N 315.337 -0.407 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H](CO)Nc2ccc(C#N)nn2)c1 1121264884 FQQOLEAFHXPXBQ-LLVKDONJSA-N 311.305 -0.249 30 20 DBED Cc1cc(=N[C@H](CO)CNC(=O)c2ncn(C)n2)c(C#N)c[nH]1 1121439410 JUKQZDPTKCDABZ-NSHDSACASA-N 315.337 -0.985 30 20 DBED Cn1cncc1CC(=O)NC[C@H](CO)Nc1ncccc1C#N 1121799121 CDTMXBFAPCGDOJ-GFCCVEGCSA-N 314.349 -0.182 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)C1CCOCC1 1122492095 FGIHHVXYQVDJMX-UHFFFAOYSA-N 310.398 -0.119 30 20 DBED N#Cc1cnc(N[C@H](CO)CNC(=O)c2n[nH]cc2F)cn1 1122494064 MDTJJWROLNPBLY-QMMMGPOBSA-N 305.273 -0.587 30 20 DBED C=CCn1cc(C(=O)NC[C@@H](CO)Nc2cnc(F)cn2)nn1 1122634536 BMSRKPJAKPKFJF-VIFPVBQESA-N 321.316 -0.404 30 20 DBED Cc1n[nH]cc1C(=O)N(C)C[C@@H](O)CNc1ccc(C#N)nn1 1124627156 BQAXDNPZGIONQY-NSHDSACASA-N 315.337 -0.075 30 20 DBED CN(C(=O)CNC(N)=O)C1CC(Nc2cncc(C#N)n2)C1 1126847679 UCCJHSZQOAHJIE-UHFFFAOYSA-N 303.326 -0.582 30 20 DBED C#CCOCCC(=O)NCCNCC(=O)NC[C@H]1CCCO1 1127031538 HFUSCEOIMAUTNI-CYBMUJFWSA-N 311.382 -0.973 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@H]1CCCc2n[nH]cc21 1127327789 WZUBGKXNWUCTJK-NSHDSACASA-N 305.382 -0.162 30 20 DBED C=C(C)CN1CCOC[C@@H]1c1n[nH]c(CNC(=O)CC(N)=O)n1 1130839438 LNCWWIHGIZMHPG-SNVBAGLBSA-N 322.369 -0.754 30 20 DBED C#CCOCCC(=O)N1C[C@H]2C[C@@H]3CN(CC#C)C[C@]2(C1)O3 1131227398 NUONVUGQYHJXQU-BFYDXBDKSA-N 302.374 -0.039 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)Cc2cc(C)nn2C)C1=O 1131286492 AERFVNOXJOIHEO-CQSZACIVSA-N 319.409 -0.236 30 20 DBED C[C@@H]1CCN(C(=O)c2ncc[nH]2)C[C@@H]1CNCC(=O)NCC#N 1132799826 NVNUBFLSPYQBEP-NEPJUHHUSA-N 318.381 -0.263 30 20 DBED C=CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)CN(C)C(C)=O 1133740142 BDLHJCAKZDZLIO-NWDGAFQWSA-N 312.414 -0.360 30 20 DBED COCC#CCN[C@@H](C)C[C@@H](C)NC(=O)CS(C)(=O)=O 1133836849 VBJOBKJSHZDLNJ-NWDGAFQWSA-N 304.412 -0.446 30 20 DBED C=C(C)CN(CC)C(=O)CNCCNC(=O)CCc1cnn[nH]1 1134014154 OUTOLARLIZTWIF-UHFFFAOYSA-N 322.413 -0.132 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)C[C@@H](C)NCc1nccn1C 1134131343 VAQAKYDWFSLMEH-OLZOCXBDSA-N 319.409 -0.068 30 20 DBED COCC#CCNCCNC(=O)c1c(C)c[nH]c1CC(N)=O 1134139299 RSPVYIJDKJSGOU-UHFFFAOYSA-N 306.366 -0.680 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCNCCN1CCNC1=O 1135142454 VJPUAUKGHLJCIU-STQMWFEESA-N 310.398 -0.301 30 20 DBED C[C@@H](C[C@@H](C)NCC(=O)NCC#N)NC(=O)c1cnc(O)n1C 1135188955 RPARHHWICSZTHC-ZJUUUORDSA-N 322.369 -0.748 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)Cc1cncn1C)NCC(=O)NCC#N 1135944619 NGIUKJZWMFIWIL-NWDGAFQWSA-N 320.397 -0.525 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1nc(C2CC2)oc1C 1136039956 IOWYONWKTHZHQP-UHFFFAOYSA-N 304.350 -0.071 30 20 DBED CN1CCC[C@H]1C(=O)N1CC2(CCN(CC(=O)NCC#N)C2)C1 1147212979 XSJMTVUXZWZFGR-ZDUSSCGKSA-N 319.409 -0.745 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CCc2nn[nH]c2C1 1147698171 FZLCGKSNMDATTD-WDEREUQCSA-N 320.397 -0.694 30 20 DBED C#CCNC(=O)CN1CCCO[C@H](CNC(=O)c2ccco2)C1 1149027952 JSKIRHQKZXCWBF-CYBMUJFWSA-N 319.361 -0.150 30 20 DBED COCC#CCNCCCNC(=O)c1cn(C)nc1COC 1161263212 SBBKJAYQVIASBJ-UHFFFAOYSA-N 308.382 -0.074 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@H]1C[C@H]1C(=O)N(C)C 1166765288 WEBXIJGHQPNLLC-NWDGAFQWSA-N 310.398 -0.891 30 20 DBED N#CCNCC1(CCNC(=O)CCCS(N)(=O)=O)CC1 1166919022 TYYBOGHLPPAMGR-UHFFFAOYSA-N 302.400 -0.545 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@H](C)OCCOCC 1176871691 XZUZCMMEGOZHQX-ZDUSSCGKSA-N 315.414 -0.174 30 20 DBED C=CCCOCC(=O)NCCCNC[C@H](O)Cn1cccn1 1177264624 QUXCFCFFVXWLAZ-AWEZNQCLSA-N 310.398 -0.067 30 20 DBED C#CCCN[C@H]1CCN(C(=O)CN(C)S(=O)(=O)CC)[C@H]1C 1179820848 AMFHADUWGQFRCL-STQMWFEESA-N 315.439 -0.130 30 20 DBED C#CCNC(=O)CNC[C@@H]1CCN(C(=O)CC(C)(C)O)C[C@H]1C 1184275029 VZFIWKNJCMCGFK-KGLIPLIRSA-N 323.437 -0.029 30 20 DBED C[C@@H]1CN(C(=O)c2nnc(O)nc2O)CC[C@@H]1CNCC#N 1184734006 FWNJDULRDVIXMZ-RKDXNWHRSA-N 306.326 -0.506 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2C)C1 1185109884 LSIFFKNOFNODND-JHJVBQTASA-N 322.409 -0.512 30 20 DBED C#CCNCc1cn([C@H]2CCCN(C(=O)c3cnn[nH]3)C2)nn1 1185964652 YSQIAJALTCZMFT-LBPRGKRZSA-N 314.353 -0.404 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2cnn(CCC)c2)C1 1185977186 NNYPPIQTHTZVFF-CQSZACIVSA-N 317.393 -0.153 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2cnn(C)c2)C1 1188803646 MOQYRUKFVUBIHC-ZDUSSCGKSA-N 305.382 -0.131 30 20 DBED C#CCCCCC(=O)N[C@@H]1CN([C@@H](C)C(=O)NCC#C)C[C@H]1O 1192375118 RUGNICQKINFDIX-RRFJBIMHSA-N 319.405 -0.521 30 20 DBED Cn1nccc1CCN1C[C@@H](O)[C@H](NC(=O)C#CC2CC2)C1 1192821219 IWBYAIGXMNJVMG-HUUCEWRRSA-N 302.378 -0.463 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2cnc(C)nc2)C[C@H]1O 1192891612 OLUYPGZQHBFGIV-KCPJHIHWSA-N 318.377 -0.515 30 20 DBED C=CCCN(C)[C@H]1CCN(C(=O)CN2CC(=O)N(C)C2=O)C1 1193441314 GJDYUQGSGNILCW-LBPRGKRZSA-N 308.382 -0.011 30 20 DBED COc1cccc(COCC(=O)N[C@@H]2CN(CC#N)C[C@H]2O)c1 1194351901 GRTMJHKIABWSPJ-HUUCEWRRSA-N 319.361 -0.103 30 20 DBED CCNC(=O)NC(=O)CN1CCCN(C(=O)[C@@H](C)C#N)CC1 1195313794 DELMVESCNIWQQJ-NSHDSACASA-N 309.370 -0.474 30 20 DBED C=CCNC(=O)[C@H](C)N1CCCN(C(=O)c2cn(C)nn2)CC1 1195710353 PLVITBBFTMSZIQ-LBPRGKRZSA-N 320.397 -0.346 30 20 DBED C[C@H]1CN(C)C[C@H]1C(=O)N1CCCN(CC(=O)NCC#N)CC1 1197158507 RADCILJXUBBALC-UONOGXRCSA-N 321.425 -0.642 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCC(NCC(=O)NC)CC1 1201093806 ITIGLOQPYGWNLR-AWEZNQCLSA-N 306.410 -0.589 30 20 DBED COCC#CCNCC1CCN(C(=O)[C@@H](C)CC(N)=O)CC1 1205873464 RWALFZGSKVSKMB-ZDUSSCGKSA-N 309.410 -0.024 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)C[C@H]2COC(=O)C2)C1 1207795656 KYHSCKGIXYXLMC-OLZOCXBDSA-N 321.377 -0.730 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)c2ncccc2O)C1 1207875758 WPKYVRMSFFYVDT-GFCCVEGCSA-N 316.361 -0.269 30 20 DBED C#CCOCCC(=O)N1CCC[C@@H](NCc2ncnn2C)C1 1208031622 APZSXQRVJCUHCA-CYBMUJFWSA-N 305.382 -0.064 30 20 DBED C[C@@H]1CN(C(=O)c2ccccn2)C[C@H]1NCC(=O)NCC#N 1214043030 HEMRUBDOKVKMFJ-DGCLKSJQSA-N 301.350 -0.229 30 20 DBED C#CCOCCC(=O)N1C[C@@H](NCC(=O)NCC#N)[C@H](C)C1 1214606719 MUFWYHROWRTTOQ-CHWSQXEVSA-N 306.366 -0.897 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2cncn2C)C[C@H]1C 1215073409 PITGSAKQAKMRIL-JHJVBQTASA-N 317.393 -0.392 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)N1C[C@@H](NCC(=O)NC)[C@H](C)C1 1215802966 ORYHMNROHOFYIZ-KWCYVHTRSA-N 324.425 -0.360 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2cnon2)C[C@H]1C 1216016479 LZODDDWIZUVUEA-CKYFFXLPSA-N 307.354 -0.190 30 20 DBED COCC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1n[nH]cc1C 1217826239 LUCYCIYKGWUHFB-UONOGXRCSA-N 318.377 -0.107 30 20 DBED CC(C)=C(C)CC(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@@H]1O 1220158132 JIVVCLJFRITXDM-OLZOCXBDSA-N 308.382 -0.466 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)CNC(=O)CCC2CCCC2)C1 1220553547 KTBJFORUDQDFNG-KGLIPLIRSA-N 322.409 -0.242 30 20 DBED C=CCCN1CC[C@@H]2CN(C(=O)CNS(=O)(=O)NC)[C@@H]2C1 1221714217 SOAHLWYUVWWELA-VXGBXAGGSA-N 316.427 -0.851 30 20 DBED N#CCNC(=O)CN1CCC(NC(=O)[C@@H]2[C@H]3COC[C@H]32)CC1 1228711853 AIHKLRTTXYMKTO-IMRBUKKESA-N 306.366 -0.901 30 20 DBED CC(F)(F)C(=O)NCC[C@@H]1CN(CC#N)CCS1(=O)=O 1230406388 MBECSOADKMQSKJ-SECBINFHSA-N 309.338 -0.230 30 20 DBED C#CCN1CCS(=O)(=O)[C@@H](CCNC(=O)[C@@H](C)SC)C1 1230422130 HCVDFZAECIDFID-NEPJUHHUSA-N 318.464 -0.024 30 20 DBED C#CCN1CCS(=O)(=O)[C@@H](CCNC(=O)Cn2ccnc2)C1 1230526690 FJQARKKYIWMNSF-ZDUSSCGKSA-N 324.406 -0.878 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@H]1CN(C)C(=O)c1cnns1 1230860187 DMCSTNBJHSHSMO-MNOVXSKESA-N 321.406 -0.178 30 20 DBED C=CCOCC(=O)N(C)C[C@@H]1CCN1[C@H](C)C(=O)NC(N)=O 1231246894 IVQZSTLZHODIPF-MNOVXSKESA-N 312.370 -0.695 30 20 DBED C#CCOCCC(=O)N(C)C[C@@H]1CCN1[C@@H](C)C(=O)NC(N)=O 1234246517 PKRPPTDQDGVBBK-RYUDHWBXSA-N 324.381 -0.858 30 20 DBED N#CCCNC(=O)COC(=O)c1cn(Cc2ccccn2)nn1 1252355612 MHTOTXQJLVGYSD-UHFFFAOYSA-N 314.305 -0.092 30 20 DBED C=C[C@](C)(O)C(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CCNCC1 1263129321 INPAADONMCILMT-ZENOOKHLSA-N 322.409 -0.330 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)C(=O)NCC(F)F)C1 1316980325 FNRZQSQOWMPSCV-SNVBAGLBSA-N 305.325 -0.239 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)[C@H]2COCCN2CC)C1 1317302282 QAEXKPNPGZQLOR-UONOGXRCSA-N 324.425 -0.800 30 20 DBED C#CCOCCNC(=O)C(=O)NCC(=O)N(C)C1CCCCC1 1323426150 DKAOJVJUBCPZCY-UHFFFAOYSA-N 323.393 -0.340 30 20 DBED CN(C[C@@H]1CCC[C@@H]1O)C(=O)C(=O)Nc1cnn(CC#N)c1 1324410414 QAGKETMXOCCJJE-JQWIXIFHSA-N 305.338 -0.035 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)CCO1 1326934214 NSGDRIHGMDLRSV-HZSPNIEDSA-N 320.393 -0.130 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H]2CCN(CC)C2=O)C1=O 1327070795 PJUBWRNRMKIWBP-VIFPVBQESA-N 323.305 -0.873 30 20 DBED C=C(C)COCCNC(=O)C(=O)N1CCCN(C(C)=O)CC1 1327311967 DWISOGRFNBDSET-UHFFFAOYSA-N 311.382 -0.224 30 20 DBED CNC(=O)CCCNC(=O)C(=O)NCC#Cc1ccccc1 1327380316 ZTMPBOAZVZWILD-UHFFFAOYSA-N 301.346 -0.203 30 20 DBED C=CCn1cc(C(=O)NC2CCC3(CC2)NC(=O)NC3=O)nn1 1329547833 OMCHHEVGLFTANU-UHFFFAOYSA-N 318.337 -0.285 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)c2nc3ncccn3n2)C1=O 1331171057 PUAACHBXRGMYEP-SNVBAGLBSA-N 300.322 -0.017 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCCCn1cncn1 1332441819 AJNAZEBUXYGNTO-OLZOCXBDSA-N 321.381 -0.118 30 20 DBED C#CCOCCn1nnnc1N1CCCN(C(=O)C2CC2)CC1 1334394638 ZGBICAUUDIFFTC-UHFFFAOYSA-N 318.381 -0.228 30 20 DBED C=CCS(=O)(=O)CCNC(=O)CSc1nncn1C 1336039684 SHKZMQLDIWVYCK-UHFFFAOYSA-N 304.397 -0.376 30 20 DBED C=CCN1CC[C@@H](n2cc(Cn3cc(CN)cn3)nn2)C1=O 1336895393 HPFSOBPUVYQFPZ-CYBMUJFWSA-N 301.354 -0.059 30 20 DBED N#Cc1ccc(CNC(=O)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 1337881000 OVWHKEZIYITINV-GFCCVEGCSA-N 321.358 -0.522 30 20 DBED C=CC[C@H]1NC(=O)N(CCS(=O)(=O)N2CCOCC2)C1=O 1340012901 VYMYCLRUACWNMF-SNVBAGLBSA-N 317.367 -0.855 30 20 DBED C#CCNC(=O)C1CCN(C(=O)[C@H](CO)NC(=O)C(C)C)CC1 1347498684 ZNMFBNPYIIKORI-ZDUSSCGKSA-N 323.393 -0.893 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N2C[C@H]3COC[C@H]3C2)CCN1C1CC1 1352137349 VYGADJGBCSOXQG-MBNYWOFBSA-N 318.377 -0.710 30 20 DBED N#Cc1cn(CC(=O)N2CC[C@@](O)(C3CC3)C2)c(=O)nc1O 1362738339 IEARQSAUXIZDQC-AWEZNQCLSA-N 304.306 -0.806 30 20 DBED Cc1nc(CNC(=O)Cn2cc(C#N)c(O)nc2=O)oc1C 1363308696 CBEKTALAMNZPAS-UHFFFAOYSA-N 303.278 -0.258 30 20 DBED C[C@@H](C#N)C(=O)N(C)C[C@H]1CCCN1C(=O)CN1CCOCC1 1380222740 ZHKCGHKMXZVHJH-UONOGXRCSA-N 322.409 -0.072 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CNC(=O)CCNC(N)=O)CC1 1385477821 XASUWOOFHOHWNL-SNVBAGLBSA-N 309.370 -0.441 30 20 DBED CCCC[C@@H](NC(N)=O)C(=O)NC1CN(C(=O)[C@H](C)C#N)C1 1409071538 VREBULFZUKKNMA-MWLCHTKSSA-N 309.370 -0.300 30 20 DBED N#Cc1cn(CC(=O)N2CC[C@@H](N3CCCC3)C2)c(=O)nc1O 1412485311 UMCWBRVNTLXDCT-GFCCVEGCSA-N 317.349 -0.483 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CN(C)C(=O)CCc1cncn1C 1425853279 LCCLAPJKRKKGIE-AAEUAGOBSA-N 321.381 -0.552 30 20 DBED COCCN(CCNC(=O)[C@@H](C)C#N)C(=O)[C@H](C)NC(C)=O 1426069989 GDMCTULQPPKRTF-QWRGUYRKSA-N 312.370 -0.738 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)CCc1ccnn1C 1431539576 MJBPEWMCVJOGQL-CMPLNLGQSA-N 307.354 -0.894 30 20 DBED C[C@@H](C#N)C(=O)NC1CC(N(C)C(=O)CCn2ccnn2)C1 1445016966 KDZCULINNCCUTP-UNXYVOJBSA-N 304.354 -0.067 30 20 DBED Cc1ncccc1CC(=O)NC[C@@H](O)CNC(=O)[C@H](C)C#N 1452401167 BDVPJLMXVLPGDK-ZWNOBZJWSA-N 304.350 -0.315 30 20 DBED C[C@H](C#N)C(=O)NCCN(C)C(=O)[C@H](C)CN1CCOCC1 1455432137 IARHTBQPGKYHEP-CHWSQXEVSA-N 310.398 -0.311 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N1CC[C@@H](CS(N)(=O)=O)C1 1464699103 LNHFJZSXIOEXCY-VHSXEESVSA-N 324.428 -0.924 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)c2ccsc2S(N)(=O)=O)C1 1469407072 ZVIAVODLXSCALY-LLVKDONJSA-N 315.376 -0.114 30 20 DBED C[C@@H](C#N)C(=O)NC1CN(CCc2nnn(C(C)(C)C)n2)C1 1481550537 PJJQLKIGCSAUEK-JTQLQIEISA-N 305.386 -0.069 30 20 DBED CCN(CCC#N)C(=O)CN1CC(NC(=O)[C@H](O)C(C)C)C1 1481556133 LAIOAUGEHFVDDJ-CQSZACIVSA-N 310.398 -0.434 30 20 DBED C[C@H](CCNC(=O)c1ccc(C(N)=O)nc1)NC(=O)[C@H](C)C#N 1495583474 KLFSJQLAWCEWRE-NXEZZACHSA-N 317.349 -0.035 30 20 DBED CN1C[C@@H](C(=O)NCCN(C)C(=O)c2c[nH]c(C#N)c2)CC1=O 1496135583 WZSIIRVFSHAMEN-NSHDSACASA-N 317.349 -0.447 30 20 DBED C=C(Br)CN1C[C@H](O)[C@H](NC(=O)CNC(=O)O)C1 1573313146 CDEYGGPLWNFXSA-SFYZADRCSA-N 322.159 -0.676 30 20 DBED C#Cc1cncc(C(=O)N[C@H](C)[C@H](C)NC(=O)CNC(=O)O)c1 1573313171 DNPUMTGGAINZKS-VHSXEESVSA-N 318.333 -0.047 30 20 DBED C=C(C)[C@H](CC(=O)N1CC(NC(=O)CNC(=O)O)C1)OCC 1573322424 YLYVOYJFLISLGT-NSHDSACASA-N 313.354 -0.048 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 1573562320 SGNMLAXYPNCNCT-QMMMGPOBSA-N 316.325 -0.457 30 20 DBED CCN(CCNC(=O)[C@H](C)C#N)c1cnc(-c2nn[nH]n2)cn1 1577924195 WGZJZZXJSGCHML-SECBINFHSA-N 315.341 -0.241 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N1CCC(C(=O)O)CC1 1588390228 OMYGUXTZSJFOMM-GFCCVEGCSA-N 310.350 -0.146 30 20 DBED N#CCCCS(=O)(=O)NC(=O)c1cccc(-c2nn[nH]n2)n1 1592676333 LKUMJJDRXJBJQZ-UHFFFAOYSA-N 321.322 -0.375 30 20 DBED C#CCN(CC(=O)O)C(=O)C(=O)Nc1ccc(N(C)C)nc1 1602679515 RDHMFYVAYKDTFO-UHFFFAOYSA-N 304.306 -0.368 30 20 DBED C#CC[C@H](NC(=O)[C@@H](O)[C@H](O)c1nc2ccccc2[nH]1)C(=O)O 1602684957 KKBVRQHNFPFJHZ-SRVKXCTJSA-N 317.301 -0.450 30 20 DBED C#CCSCCNC(=O)N1CCO[C@@](COC)(C(=O)O)C1 1602704569 LDXYHHACHJREHJ-ZDUSSCGKSA-N 316.379 -0.136 30 20 DBED CC(C)COC[C@H](O)CNc1cnc(-c2nn[nH]n2)c(C#N)n1 1603302339 DMTGCPDJGIZOKQ-SECBINFHSA-N 318.341 -0.026 30 20 DBED C[C@H]1C[C@@H](NCC#N)CN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1 1603859233 YWPHOBYRMYJSNT-DTWKUNHWSA-N 300.326 -0.089 30 20 DBED COC(=O)C1(C#N)CCN(c2nccnc2-c2nn[nH]n2)CC1 1604916609 PKLNBXSJJJWQOU-UHFFFAOYSA-N 314.309 -0.060 30 20 DBED CN(CCc1cnccn1)S(=O)(=O)N1CCO[C@@H](C#N)C1 1647178560 FTWWNUANCYOKCA-LBPRGKRZSA-N 311.367 -0.580 30 20 DBED C#CCNC[C@H]1CCCCN1C(=O)CCS(=O)(=O)N(C)C 1700126286 JEXGEYMYJZJNBM-CYBMUJFWSA-N 315.439 -0.128 30 20 DBED COCC#CCN[C@@H](CNC(=O)c1cncnc1O)C1CC1 1752469421 WRNYPFBNJDHAKE-ZDUSSCGKSA-N 304.350 -0.070 30 20 DBED C=CCOCC(=O)N1CCC[C@H](CN(C)CC(=O)NCC#N)C1 1752501756 BCOBFIUWEZNIFR-CQSZACIVSA-N 322.409 -0.001 30 20 DBED C#CCCN[C@H](C)CCNC(=O)c1cn(C)c(=O)n(C)c1=O 1753014316 JSJYZTKAXSENMP-LLVKDONJSA-N 306.366 -0.795 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@H](C)N(C)C(=O)c1ccc(C)nn1 1753690218 UNROPCOCVUCOGT-QWHCGFSZSA-N 317.393 -0.027 30 20 DBED CC#CCN[C@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C[C@H]1C 1753761067 KOMRUXDITOYIIM-YPMHNXCESA-N 305.378 -0.111 30 20 DBED C[C@H](CN(C)CC(=O)NCC#N)NC(=O)[C@@H]1CCO[C@H]1C1CC1 1754319652 WDLIXLJREGZNHJ-KYOSRNDESA-N 322.409 -0.122 30 20 DBED C=CCNC(=O)CNC[C@H](NC(=O)[C@@H]1CCC(=O)NC1)C1CC1 1754445412 RMTGSBHIBQNKHH-OLZOCXBDSA-N 322.409 -0.701 30 20 DBED C#CCNC[C@@]1(C)CCN(C(=O)c2cn(CCOC)nn2)C1 1754696330 ZNUQLXYMLSHVCC-OAHLLOKOSA-N 305.382 -0.001 30 20 DBED N#CCN1CC(O)(CNC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)C1 1754776580 GXEXMVHBVPKMLO-LBPRGKRZSA-N 320.393 -0.536 30 20 DBED N#CCN1CCC[C@](CO)(NC(=O)c2nccn3ccnc23)C1 1754858282 XWQDOWWEWOPIQN-HNNXBMFYSA-N 314.349 -0.190 30 20 DBED C#CCN[C@]1(CO)CCCN(C(=O)[C@@H](NC(N)=O)C(C)(C)C)C1 1755091131 VCKFZPLWKBMKOW-MLGOLLRUSA-N 324.425 -0.354 30 20 DBED N#CCN1CC(CCO)(NC(=O)c2nnc3ccccc3n2)C1 1755333917 OBFVCFVWRKHHIT-UHFFFAOYSA-N 312.333 -0.285 30 20 DBED C=CCN1C[C@H](NC(=O)CC[C@H]2NC(=O)NC2=O)C(C)(C)C1 1755416271 QGROZEQLJGSHLA-MNOVXSKESA-N 308.382 -0.013 30 20 DBED N#CCNC(=O)CNC[C@H]1C[C@H](NC(=O)[C@H]2CCCCO2)C1 1755469080 BLHNFXFSDFCKFV-JHJVBQTASA-N 308.382 -0.320 30 20 DBED C#CCNC(=O)CN[C@H](CCNC(=O)[C@@H]1[C@H]2COC[C@H]21)C(C)C 1755551874 OEQQWGUNWSUDFC-CTASWTNQSA-N 321.421 -0.251 30 20 DBED COCC#CCN[C@H](CO)CNC(=O)[C@@H]1CCc2n[nH]cc2C1 1755643157 FZOCYRZNAIFZKH-OCCSQVGLSA-N 320.393 -0.769 30 20 DBED C=CCNC(=O)CNC[C@@H](O)CN(C)C(=O)c1ccnnc1C 1755790253 FMJSRPNXMXZKIE-GFCCVEGCSA-N 321.381 -0.890 30 20 DBED CC#CCN(CCNC(=O)c1cc(C(N)=O)c[nH]1)CCOC 1755840585 DBCSQAINUJEVCK-UHFFFAOYSA-N 306.366 -0.185 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@H]1[C@@H]2CN(C(=O)CNC(C)=O)C[C@H]12 1756199890 KKQAVJVICPRAFI-JFILPPLUSA-N 323.393 -0.730 30 20 DBED C#Cc1ccc(C(=O)N[C@@H](CO)CNC(=O)[C@H](O)C(C)C)cc1 1756515740 OPSAZGQOXQWHCK-HUUCEWRRSA-N 318.373 -0.108 30 20 DBED CCOc1cc(C(=O)N[C@@H](CO)CNC(=O)C#CC2CC2)on1 1756520343 ZNWBXYWLPBVGNG-LLVKDONJSA-N 321.333 -0.306 30 20 DBED C=CCOCC(=O)N1CCN([C@H]2CCCN(C(C)=O)C2)C(=O)C1 1756788082 SBPBKCDIMPFVIF-AWEZNQCLSA-N 323.393 -0.129 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2ccon2)C1 1756986605 KUWFWQRKSYRKOI-CHWSQXEVSA-N 305.334 -0.436 30 20 DBED CC(C)C#CC(=O)NC[C@H]1C[C@@H](NC(=O)Cn2ncnn2)C1 1757317995 KQIDVZBBQKXGNG-TXEJJXNPSA-N 304.354 -0.657 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)NCc2nnc(C3CC3)o2)CCO1 1771690377 VTFSKCRPLODJMU-SECBINFHSA-N 313.339 -0.494 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)C#C)C2)C1 1783046540 LEFKRHUODFNGCC-XJKSGUPXSA-N 304.346 -0.512 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc[n+]([O-])cc1)CCO2 1783055037 SATVQUFMUPMIEB-MRXNPFEDSA-N 315.329 -0.603 30 20 DBED N#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CC(O)C1)C2 1795416695 IDOJNSKIDWOXJN-VAVWAEKOSA-N 321.377 -0.349 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](CC)NC(C)=O)C2 1800450788 NMJGZFFWMTXRDR-QVHKTLOISA-N 321.377 -0.876 30 20 DBED N#CCC(=O)N1CCCC12CN(C(=O)[C@@H]1CCNC(=O)C1)C2 1842623979 XAUMHDLAOVORLC-LLVKDONJSA-N 304.350 -0.370 30 20 DBED CC(F)(F)C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1842844039 DEJQTYXWBFNOMN-UHFFFAOYSA-N 300.261 -0.067 30 20 DBED C#CCNC(=O)c1ccccc1NCC(=O)N1CCNC(=O)C1 63462171 WABUCBXPEQGPMY-UHFFFAOYSA-N 314.345 -0.580 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(c2ncccc2C(N)=O)CC1 131908853 WDZIICIVKRGQEO-LBPRGKRZSA-N 317.393 -0.007 30 20 DBED C[C@H]1CN(C(=O)CN(CCC#N)CCN2CCOCC2)CCO1 174830373 MYYCTVPFSQEAMZ-HNNXBMFYSA-N 324.425 -0.218 30 20 DBED C#C[C@@H](C)NS(=O)(=O)CCCS(=O)(=O)N[C@H](C)C#C 195473791 GTHUYTBLHWCLSR-GHMZBOCLSA-N 306.409 -0.741 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCCC[C@@H]2O)C1=O 270265475 KMNCLCIBFPLKKL-ZJUUUORDSA-N 309.322 -0.617 30 20 DBED CNC(=O)[C@H]1CN(C(=O)C#Cc2ccc3c(c2)OCO3)CCO1 273126309 QNYKQFXJIXJJKT-CQSZACIVSA-N 316.313 -0.260 30 20 DBED COC(=O)[C@H](NS(=O)(=O)Cc1ccc(C#N)cc1)[C@H](C)O 289102428 HJVHEHKUYHCPOH-JOYOIKCWSA-N 312.347 -0.100 30 20 DBED C=C[C@@H](CO)NS(=O)(=O)c1ccc(OC)c(C(N)=O)c1 290184128 LJSKOHBPLAHWAF-QMMMGPOBSA-N 300.336 -0.381 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@H]3NCC[C@H]3C2)C1=O 293447032 PFHHYVOWXGJYRX-WDEREUQCSA-N 320.349 -0.826 30 20 DBED Cn1c(=O)c2cc(C(=O)NC3(C#N)CCC3)cnc2n(C)c1=O 299493749 HQLGMTQQQDECBP-UHFFFAOYSA-N 313.317 -0.192 30 20 DBED CS(=O)(=O)N1CCC[C@@H]1C/N=C(/O)Cn1cccnc1=O 328756928 UODFVUWKWGMZAQ-SNVBAGLBSA-N 314.367 -0.376 30 20 DBED N#Cc1cncc(S(=O)(=O)NC[C@@H]2CCCS2(=O)=O)c1 336842934 VRPMKQNZGNPHRW-JTQLQIEISA-N 315.376 -0.191 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)CN(C)S(C)(=O)=O)C1=O 337090087 JIBJGTAMMYXRBR-JTQLQIEISA-N 303.384 -0.877 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CCN(C[C@@H](C)O)C[C@H]1C 337191077 SFKOWWJFRMUFFX-CHWSQXEVSA-N 318.443 -0.146 30 20 DBED Cn1cc([C@H](CO)NS(=O)(=O)c2ccc(C#N)nc2)cn1 339787063 KEJHLCUNXAKVNN-LBPRGKRZSA-N 307.335 -0.301 30 20 DBED CN(CC(=O)NCC#N)C[C@@H]1C[C@H](F)CN1Cc1ncccn1 348119510 MSKXQHRMBHFCFM-STQMWFEESA-N 320.372 -0.039 30 20 DBED CN(C)C(=O)CN1CCN(C(=O)CN(CC#N)C2CC2)CC1 355940217 FTCYIWRXGQZDGH-UHFFFAOYSA-N 307.398 -0.793 30 20 DBED C=C(C)CS(=O)(=O)NCCNS(=O)(=O)Cc1ccon1 357549480 XZKIGMKARSMSJV-UHFFFAOYSA-N 323.396 -0.411 30 20 DBED N#CCC1(O)CN(S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)C1 373660169 RGBHINAFGVXUFF-UHFFFAOYSA-N 321.358 -0.378 30 20 DBED N#CCNC(=O)CN1CCC[C@H](N2CCCS2(=O)=O)C1 408402070 JUIPOYQCRVKGHB-NSHDSACASA-N 300.384 -0.874 30 20 DBED C=C[C@@H]1OCC[C@H]1CN1C(=O)[C@@H]2CS(=O)(=O)CCN2C1=O 424616754 GMSDLSUQCCHGLC-DCAQKATOSA-N 314.363 -0.361 30 20 DBED C=CCn1cc(CNC(=O)NCC2CCN(CCO)CC2)nn1 425685419 SPMDBXSQXCRPEN-UHFFFAOYSA-N 322.413 -0.032 30 20 DBED Cc1cc(NC(=O)C(=O)N2CC[C@H](C)[C@H]2CO)nn1CCC#N 443812839 GEJXSISGQMLMCC-CMPLNLGQSA-N 319.365 0.273 30 20 DBED C#C[C@H](C)N(C)S(=O)(=O)CCCS(=O)(=O)NCC#N 491485369 OQOUGNOMJFUQFU-JTQLQIEISA-N 307.397 -0.897 30 20 DBED C#CCN1CCN(C(=O)CN2CCC[C@@H](n3ccnn3)C2)CC1 491554740 LTCRJUPXUCAXJZ-OAHLLOKOSA-N 316.409 -0.308 30 20 DBED CCC[C@@H](C#N)NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 523282262 FJZYXPFDADRQNX-VIFPVBQESA-N 318.337 -0.758 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@H](C(=O)O)C1CCC1 567170678 HBENCXREOPRTIZ-NSHDSACASA-N 319.383 -0.064 30 20 DBED CN(C)S(=O)(=O)N(C)CC(=O)NCCc1cccc(C#N)c1 580654669 VZBNBVNGYCSVNJ-UHFFFAOYSA-N 324.406 -0.045 30 20 DBED N#Cc1ccc(S(=O)(=O)CCN2C[C@H]3CNC[C@@H]3C2)nc1 588957139 IHNBEFYSPMQRNL-CHWSQXEVSA-N 306.391 -0.122 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)NCc2ccc(CO)cc2)CCO1 592069474 QGGBCIODUMJVBY-CYBMUJFWSA-N 311.363 -0.262 30 20 DBED N#CCNC(=O)CNC(=O)N1CCC[C@@H](N2CCOCC2)CC1 596599893 WSBCRSCVMXDZCA-CYBMUJFWSA-N 323.397 -0.478 30 20 DBED CN(Cc1cnn(C)c1)C(=O)C(=O)N1CCN(CCC#N)CC1 601419502 MKACRIISWKGRHZ-UHFFFAOYSA-N 318.381 -0.564 30 20 DBED N#Cc1ncn(CC(=O)N2CCCN(C[C@@H]3CCCO3)CC2)n1 610882524 HNLFYFGCLOMDKT-ZDUSSCGKSA-N 318.381 -0.137 30 20 DBED CC#CC[C@H](CO)NC(=O)c1ccc(CS(N)(=O)=O)cc1 649188243 HGCBXGLNBRSHGC-CYBMUJFWSA-N 310.375 -0.021 30 20 DBED N#Cc1ccc(NCCNC(=O)NCCn2cncn2)nc1 726705593 NZZUKCVYAARPOH-UHFFFAOYSA-N 300.326 -0.044 30 20 DBED N#CCNC(=O)COC(=O)[C@H]1CC[C@H](C(F)(F)F)NC1=O 731240184 FMEOSBADUPZVRE-NKWVEPMBSA-N 307.228 -0.374 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCN(CC[S@](C)=O)CC1 741297823 VOOOVLLCWZYLPR-QKKBWIMNSA-N 311.451 -0.393 30 20 DBED C[C@H]1CC(=NC(=O)CN(C)S(=O)(=O)c2cccnc2)NO1 765378262 YTDHDCGQBLUTEF-VIFPVBQESA-N 312.351 -0.059 30 20 DBED N#Cc1cccc(OCC(=O)NC[C@H]2CC(C(N)=O)=NO2)c1 793906745 OPGBPJMWFGZXIU-LLVKDONJSA-N 302.290 -0.317 30 20 DBED C#CCNC(=O)COC(=O)[C@@]1(c2ccccc2)CNC(=O)C1 811235163 GEPGJEKEEVAKON-MRXNPFEDSA-N 300.314 -0.263 30 20 DBED C#CCn1ccc(CN(CC)C(=O)[C@@H]2CC(=O)NC(=O)N2)n1 834705945 VQCNGNWOLBAMNH-NSHDSACASA-N 303.322 -0.537 30 20 DBED O=C(C#CC1CC1)NCCS(=O)(=O)N1CCSCC1 837402510 RHKNWPHRNWIKKL-UHFFFAOYSA-N 302.421 -0.105 30 20 DBED C#CCN1CCN(S(=O)(=O)c2cc(C(=O)OC)no2)CC1 859085381 NZCVVWNCURBUDM-UHFFFAOYSA-N 313.335 -0.599 30 20 DBED C#CC1(O)CN(C(=O)[C@@H]2CN(C(=O)OC(C)(C)C)CCN2C)C1 890527041 JBDHYHGKZYQPJI-LBPRGKRZSA-N 323.393 -0.256 30 20 DBED C[C@H](NS(=O)(=O)c1cccnc1C#N)[C@H]1CN(C)CCN1C 919987940 ABGGMHKSQKTNLE-WCQYABFASA-N 323.422 -0.134 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2nc[nH]n2)C1 936116939 XWPZCUWPJOCUOH-MXWKQRLJSA-N 305.338 -0.274 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H]2CCN(C(=O)[C@@H]3COC(=O)N3)C2)c1 937796153 RCTHLPFJBXZPPB-ONGXEEELSA-N 317.305 -0.675 30 20 DBED O=C(NC[C@H]1CN(C(=O)C#CC2CC2)CCO1)[C@@H]1CCCO1 944464545 FFTZGSKSSFWTND-KBPBESRZSA-N 306.362 -0.078 30 20 DBED CC#CCN1CC[C@H](NC(=O)CN2CCN(C)C(=O)C2)C[C@H]1C 947458379 FXODAVYQFFNRGB-CABCVRRESA-N 320.437 -0.247 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2nnc(O)nc2O)C[C@@H]1C 947502023 IHMRYBZHXTVLOA-UWVGGRQHSA-N 305.338 -0.111 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)CN2CCNC(=O)C2)C[C@H]1C 947620910 QROMNOXABBQTAA-ZIAGYGMSSA-N 308.426 -0.037 30 20 DBED CN(C(=O)[C@H]1COCCO1)C1CN(C(=O)c2ccc(C#N)[nH]2)C1 953769384 IBVAAZBWPKWNTL-CYBMUJFWSA-N 318.333 -0.415 30 20 DBED N#CCN1C[C@@H](O)[C@H](CNC(=O)c2ccnc3[nH]cnc23)C1 958100923 IYHQBNFESYNIBA-MWLCHTKSSA-N 300.322 -0.496 30 20 DBED N#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cc3c(cn2)OCCO3)C1 958149085 NAZIDBQCUVLJAX-CMPLNLGQSA-N 318.333 -0.601 30 20 DBED C#CCCN1C[C@H](O)[C@H](CNC(=O)c2ccn3nnnc3c2)C1 958322144 YXSDNFOXLUTPAC-OLZOCXBDSA-N 314.349 -0.830 30 20 DBED CC#CCN1C[C@@H](O)[C@H](CNC(=O)c2coc(COC)n2)C1 958550656 DIFROXLLWHUHJI-DGCLKSJQSA-N 307.350 -0.133 30 20 DBED Cc1nc2ccnn2cc1C(=O)NC[C@@H]1CN(CC#N)C[C@H]1O 958557221 YVUJCMFAZDEVPL-DGCLKSJQSA-N 314.349 -0.416 30 20 DBED CNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)c3ccc(C#N)[nH]3)[C@H]2C1 958590048 KCENHHKEGAGWFF-MVVXRAEJSA-N 301.350 -0.319 30 20 DBED C#CCN1CCC(C(=O)NC[C@H]2CN(CC=C)C[C@H]2O)CC1 958723698 IXGCXNLDQASRCV-JKSUJKDBSA-N 305.422 -0.074 30 20 DBED C=CCN1C[C@H]2C(NC(=O)c3coc(S(N)(=O)=O)c3)[C@@H]2C1 960621399 KBTZNPNKUAFQBF-NXEZZACHSA-N 311.363 -0.227 30 20 DBED C=C(C)CN1C[C@H]2C(NC(=O)[C@@H]3CN(C(C)=O)CCO3)[C@@H]2C1 962438034 MTVQFPJBHOPBKI-MCIONIFRSA-N 307.394 -0.144 30 20 DBED N#Cc1cc(C(=O)N2CC[C@@H]3[C@H]2CCCN3C(=O)C(N)=O)c[nH]1 963513071 OWLHAENVWIUBEM-VXGBXAGGSA-N 315.333 -0.423 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(C[C@H](NC(=O)Cn3cccn3)CO2)C1 965615964 HUSRNXWSHAYCIU-RYUDHWBXSA-N 317.349 -0.471 30 20 DBED C#CCN(C)[C@H]1CCN(C(=O)[C@@H]2CC(=O)N(CCOC)C2)C1 971632339 BNBUCJCTBJFYHQ-KGLIPLIRSA-N 307.394 -0.353 30 20 DBED C=CCN(C)[C@@H]1CCN(C(=O)[C@@H]2CCN(C)S2(=O)=O)C1 972527126 OYOMAXOPXYSKEF-NEPJUHHUSA-N 301.412 -0.261 30 20 DBED C=CCn1cc(C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3CCOC3)C2)nn1 973082742 BFHANJWYVJADDB-SRVKXCTJSA-N 319.365 -0.122 30 20 DBED CC1(C)CN(CC#N)C[C@H]1NC(=O)[C@H]1CCc2nnnn2CC1 975066041 TXRMMAIHNFHXFV-NWDGAFQWSA-N 317.397 -0.024 30 20 DBED C#CCN1C[C@@H]2C(CNC(=O)c3nc4ncc(C)cn4n3)[C@H]2C1 978305409 DFAFXEJQTSABHE-CHWSQXEVSA-N 310.361 -0.026 30 20 DBED C#CCN1C[C@@H]2C(CNC(=O)[C@H]3CN4CC5CC4(CO3)C5)[C@H]2C1 978553196 GVTDWMXLFOAFDV-SFGPOHQJSA-N 315.417 -0.223 30 20 DBED C#CCN1CCN(C(=O)N2CCN(C(=O)[C@H](C)OC)CC2)CC1 985823245 UPKSRIMGFYPNCP-AWEZNQCLSA-N 322.409 -0.464 30 20 DBED N#CCN1CC[C@@]2(NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)CCC[C@H]12 992175163 TWRRXVCCAZVDKP-OXIQGZBJSA-N 306.366 -0.344 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)Cn3cncn3)C[C@]2(C)C1 993469209 JIIVQTIVGXARAU-SLEUVZQESA-N 316.365 -0.255 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)[C@H]2CCc3nn[nH]c3C2)C1 996393035 VTEUNDIVXHKGJO-IUCAKERBSA-N 302.338 -0.604 30 20 DBED C#CCNC1CCN(C(=O)CN2C(=O)NC(C)(C)C2=O)CC1 997257691 TZXVIRFFFXJQBS-UHFFFAOYSA-N 306.366 -0.469 30 20 DBED C#CCN1CCC(N(C)C(=O)CN2CCC(=O)NC2=O)CC1 1006254200 GUFICQFRVFTFJY-UHFFFAOYSA-N 306.366 -0.516 30 20 DBED C#Cc1ccc(C(=O)N2C[C@@H](NC(=O)C(N)=O)C(C)(C)C2)nc1 1008521689 MVVQCOFSQNUEOG-GFCCVEGCSA-N 314.345 -0.485 30 20 DBED C=C1CC(C)(C(=O)NC2[C@@H]3CN(C(=O)Cn4cnnn4)C[C@@H]23)C1 1013738591 UUMAGTAXDPJJJK-GHMZBOCLSA-N 316.365 -0.398 30 20 DBED COc1ccc(C#N)cc1CN1CC[C@H](NC(=O)C(N)=O)C1 1015637314 LRVJBIIYBPERAN-LBPRGKRZSA-N 302.334 -0.257 30 20 DBED C[C@H](C#N)C(=O)N1CCC2(C1)CN(C(=O)[C@H]1COCCO1)C2 1018810841 JOKZOWNQFKPPIQ-VXGBXAGGSA-N 307.350 -0.378 30 20 DBED C[C@H](C#N)C(=O)N1CCC2(CN(C(=O)C[C@@H]3CCNC3=O)C2)C1 1019088488 RHDIJANJWGVURW-NEPJUHHUSA-N 318.377 -0.267 30 20 DBED C=CCn1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)C(F)F)C2)nn1 1022863178 GXKZICNYLPQZDX-VXNVDRBHSA-N 315.280 -0.969 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CN(C(=O)/C(C)=C\C)C[C@H]2O)nn1 1023769186 LFEMLHZAWNTDDD-ITSNTBJPSA-N 319.365 -0.268 30 20 DBED CN(C(=O)CN1C(=O)NC(C)(C)C1=O)[C@@H]1CCN(CC#N)C1 1033637834 SPRCWQFAEIZOMC-SNVBAGLBSA-N 307.354 -0.627 30 20 DBED C#CCN1CCO[C@H](CNC(=O)c2nnn(C(C)(C)C)n2)C1 1035381048 CRWSHSPWBDVQDX-LLVKDONJSA-N 306.370 -0.508 30 20 DBED C=C(C)CCN1CCO[C@@H](CNC(=O)[C@@H]2CN(C)C(=O)N2)C1 1035475536 LOKWAQVYHJMGHQ-STQMWFEESA-N 310.398 -0.207 30 20 DBED Cn1ncc2c1C[C@@H](C(=O)NC[C@H]1CN(CC#N)CCO1)CC2 1035492247 WBOFWQAUGVPZMT-JSGCOSHPSA-N 317.393 -0.134 30 20 DBED COCCn1cc(C(=O)N2CC[C@@H](NCC#N)[C@@H](C)C2)nn1 1036023481 SYRHCEXTXWZHCO-NWDGAFQWSA-N 306.370 -0.112 30 20 DBED C=C(C)CN[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C[C@H]1C 1036283240 FJIFUJQXURXLLW-VXGBXAGGSA-N 308.382 -0.059 30 20 DBED C#CCCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1nc(O)nc(O)c1OC 1037671521 DKRHGLSLWJLNOT-KXUCPTDWSA-N 318.333 -0.278 30 20 DBED C=CCN1CC[C@@H](N2CC[C@H]2CNC(=O)c2[nH]nnc2C)C1=O 1038580819 CARHHMKLPSNGIH-NWDGAFQWSA-N 318.381 -0.296 30 20 DBED CCOCCC(=O)N1CC[C@@](O)(CNC(=O)C#CC2CC2)C1 1039677927 OIWUGGNFRZRUPN-MRXNPFEDSA-N 308.378 -0.094 30 20 DBED Cc1cc(N2C[C@@H](O)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)ncn1 1040965859 XOFHFVQNPLCHIM-CHWSQXEVSA-N 312.333 -0.036 30 20 DBED Cc1cc(C#N)nc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3C)C2)n1 1041282148 LHQZOBRZYBTGPK-HUXSOILUSA-N 301.350 -0.022 30 20 DBED C#CCC1(C(=O)N2CC(O)(CNC(=O)c3cc[nH]n3)C2)CCC1 1041607532 XPEZUDLSPZNASY-UHFFFAOYSA-N 316.361 -0.094 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(O)(CNC(=O)CCOCC)C1 1041994473 NADDODJAMIVUKQ-CQSZACIVSA-N 314.382 -0.570 30 20 DBED C=C[C@H](C)[C@H](C)C(=O)N1CC(O)(CNC(=O)c2ncn(C)n2)C1 1042897326 GTTKGGLCHWZMAW-QWRGUYRKSA-N 321.381 -0.424 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)[C@H](C)c2ccnn2C)C1 1043252868 CDXZOKQVGUGBAW-WDEREUQCSA-N 319.365 -0.627 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)CCCC(N)=O)C1 1043707809 LLCSFOAXQWZJNF-UHFFFAOYSA-N 311.382 -0.456 30 20 DBED Cc1cc(C(=O)N[C@@H]2CN(c3nccnc3C#N)C[C@@H]2O)n[nH]1 1043869024 IZRKRUKXSJKXEG-NEPJUHHUSA-N 313.321 -0.641 30 20 DBED N#Cc1cnccc1N1C[C@H](O)[C@H](NC(=O)C2=CCOCC2)C1 1043917795 HMPBQYKUBQBJSO-HIFRSBDPSA-N 314.345 -0.034 30 20 DBED CN1CC[C@H](CC(=O)NCC2(O)CN(C(=O)C#CC3CC3)C2)C1 1044011686 UAWNAUHABSAEME-CQSZACIVSA-N 319.405 -0.569 30 20 DBED Cc1ncccc1C(=O)NCC1(O)CN(C(=O)[C@H](C)C#N)C1 1044751362 NHUUYSIXKGRXMY-SNVBAGLBSA-N 302.334 -0.147 30 20 DBED N#CCN1CCC2(CC1)CO[C@H](CNC(=O)c1nc[nH]n1)C2 1045681198 CMLKYNFTDOKUBH-NSHDSACASA-N 304.354 -0.071 30 20 DBED C[C@@]1(NC(=O)c2cc(C#N)c[nH]2)CCN([C@H]2CCNC2=O)C1 1046224746 UVFQJSVTTHEVTB-SWLSCSKDSA-N 301.350 -0.031 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)C2(C(=O)N(C)C)CC2)C1 1046909956 QYGQVAZRQZVBAV-UHFFFAOYSA-N 323.393 -0.490 30 20 DBED C=C[C@](C)(O)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCOC)C1 1047991388 JVJNLAAGMCCUKM-HUBLWGQQSA-N 314.382 -0.620 30 20 DBED N#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)CN1CCOCC1=O 1049521073 FSAUSBHMMIOZJN-CHWSQXEVSA-N 306.366 -0.566 30 20 DBED Cc1c(C(=O)NC[C@@H]2COCCN2CC#N)nn2c1OCCC2 1050947185 QCIQSIMPAIVMNG-GFCCVEGCSA-N 319.365 -0.072 30 20 DBED Cn1cnc2cc(C(=O)NC[C@H]3COCCN3CC#N)cnc21 1051057313 FZVCGNRAEKKVQC-LBPRGKRZSA-N 314.349 -0.078 30 20 DBED C=C(C)CN1CCOC[C@H]1CNC(=O)c1cnc(O)n(C)c1=O 1051060731 JBPQDCWOIOTHOA-LLVKDONJSA-N 322.365 -0.507 30 20 DBED C=CCOCC(=O)N1C[C@@H](C)[C@H](CNC(=O)c2nnn(C)n2)C1 1052214419 KUHBVLPPYZVZGT-GHMZBOCLSA-N 322.369 -0.763 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)c3cnn(CC)n3)CO2)C1 1053794933 BAYUGJAEGSEXMS-LBPRGKRZSA-N 303.366 -0.106 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)c3cccc(C(N)=O)c3)CO2)C1 1053849227 FAOLDLIQWJZFDX-ZDUSSCGKSA-N 314.345 -0.118 30 20 DBED N#Cc1cnc(N2CCN(C(=O)CO[C@@H]3CCOC3)CC2)cn1 1055911145 QSKJWIDKMXYREC-CYBMUJFWSA-N 317.349 -0.198 30 20 DBED CCCN(C)CC(=O)N[C@]1(CO)CCCN(C(=O)[C@H](C)C#N)C1 1056031761 DJAXQNFOFFMMKS-CZUORRHYSA-N 324.425 -0.042 30 20 DBED Cc1nn[nH]c1C(=O)N[C@]1(CO)CCCN(C(=O)[C@H](C)C#N)C1 1056034513 XMINJSYBIPVTLE-YMTOWFKASA-N 320.353 -0.644 30 20 DBED C=C[C@](C)(CC)C(=O)N1CCC[C@@](CO)(NC(=O)C(N)=O)C1 1056087785 KDDALHJICWCMBV-HUUCEWRRSA-N 311.382 -0.456 30 20 DBED CN(c1ncccc1C#N)[C@@H]1CCN(C(=O)c2nnn(C)n2)C1 1057001967 GXVXKONVHBUNOH-LLVKDONJSA-N 312.337 -0.172 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)CSCC#N 1057026607 FIEPHOSZGIPMNP-UHFFFAOYSA-N 315.395 -0.617 30 20 DBED N#Cc1cnc(NC2CCN(C(=O)Cn3ncnn3)CC2)cn1 1057375106 ZGQSJCGMYLRGDI-UHFFFAOYSA-N 313.325 -0.562 30 20 DBED Cn1nnc(C(=O)N2CCC(N=c3cc[nH]cc3C#N)CC2)n1 1057405408 RXINSBNDQFJUKE-UHFFFAOYSA-N 312.337 -0.385 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)CNC(=O)C1CC1 1057439233 CXQRQHPMVUIGKO-UHFFFAOYSA-N 323.393 -0.747 30 20 DBED N#Cc1c[nH]ccc1=NCC1CCN(C(=O)CC(N)=O)CC1 1057484522 MIACUYBQHYBVKA-UHFFFAOYSA-N 301.350 -0.099 30 20 DBED Cc1nc(O)[nH]c1C(=O)N(CCO)CCNC(=O)[C@H](C)C#N 1057887963 UEAYUIUDLHZZQF-MRVPVSSYSA-N 309.326 -0.866 30 20 DBED N#Cc1cnc(N2CC[C@H](NC(=O)[C@@H]3COC(=O)N3)C2)c(F)c1 1058350498 MIRYJVQXDJROBX-ONGXEEELSA-N 319.296 -0.104 30 20 DBED C=C[C@@H](C)[C@H](C)C(=O)NCCN(CCO)C(=O)c1nnn(C)n1 1058421766 GRTCLCUAQJWQPO-MNOVXSKESA-N 324.385 -0.781 30 20 DBED C=C[C@@](C)(CC)C(=O)N(CCO)CCNC(=O)Cc1nc[nH]n1 1058731203 VNLRPSGQOOLSFF-HNNXBMFYSA-N 323.397 -0.113 30 20 DBED CC#CCCCC(=O)N1CCOC[C@H]1CNC(=O)CNC(N)=O 1061258741 KUCGTMCXYMWSOZ-GFCCVEGCSA-N 324.381 -0.808 30 20 DBED Cn1cc(C(=O)NC[C@H]2CCCN2c2ccnc(C#N)n2)nn1 1061348238 CUGFMVWDLBOJKW-SNVBAGLBSA-N 312.337 -0.124 30 20 DBED Cc1cc(C(=O)N2CCOC[C@H]2CNC(=O)[C@@H](C)C#N)nn1C 1061848205 XFIQRWMDAACFPG-CMPLNLGQSA-N 319.365 -0.155 30 20 DBED N#Cc1cnccc1N1CCO[C@H](CNC(=O)c2cnon2)C1 1063639377 PNXOEVOCBJBWOW-LLVKDONJSA-N 314.305 -0.029 30 20 DBED N#Cc1cnc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)Cn2ccnc2)cn1 1064270276 KYSRJPROCUOKBS-GMXABZIVSA-N 309.333 -0.062 30 20 DBED CCn1cc(C(=O)N[C@H]2[C@H]3C[C@H]2N(c2nccnc2C#N)C3)nn1 1064288729 BCKXMJUMTGNPPH-BIMULSAOSA-N 324.348 -0.033 30 20 DBED CCn1cc(C(=O)N[C@@H]2[C@H]3C[C@H]2N(c2ccnc(C#N)n2)C3)nn1 1064289433 WQWQCPOBMCNOCM-DRCTWCGVSA-N 324.348 -0.033 30 20 DBED C=CCO[C@H](C)C(=O)N1CCO[C@H](CNC(=O)c2cn[nH]c2)C1 1065277675 AOSMEBIWTUNNSE-DGCLKSJQSA-N 322.365 -0.042 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)CNC(=O)C2CC2)C1 1065555869 AVSSFAREKHZXCT-PWSUYJOCSA-N 322.365 -0.984 30 20 DBED C[C@H]1CN(C(=O)Cn2nccn2)C[C@H]1Nc1cnc(C#N)cn1 1067152421 AQLLBRMJTZQXBA-CMPLNLGQSA-N 312.337 -0.101 30 20 DBED CCc1nc(C#N)cc(N2CC[C@H](NC(=O)C(N)=O)C[C@@H]2C)n1 1067565107 HGIMRSOJRIVOOH-UWVGGRQHSA-N 316.365 -0.131 30 20 DBED Cc1cc(C#N)nc(NC[C@@H]2C[C@@H](C)N(C(=O)C(N)=O)C2)n1 1068369802 ZTGRAOSIRVETRF-ZJUUUORDSA-N 302.338 -0.209 30 20 DBED C=CCCN1CCn2ncc(CNC(=O)[C@H]3CNC(=O)N3)c2C1 1069872241 FCTSHYJIMKVUIF-GFCCVEGCSA-N 318.381 -0.428 30 20 DBED N#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H]2CCCCO2)C1 1069910633 DIZCUYYNPZQCCT-AGIUHOORSA-N 304.354 -0.288 30 20 DBED C#CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2[nH]nnc2C)C1 1069995199 GEGHZSJAWZYOAA-NEPJUHHUSA-N 314.353 -0.617 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)CCN(C)C)CCOCC1 1070232292 GLQIPYAWTBGQCJ-LBPRGKRZSA-N 310.398 -0.121 30 20 DBED Cn1cnc([C@@H]2CN(C(=O)c3ncccn3)C[C@H]2NCC#N)c1 1070547748 IFVUJJDAQCYXQA-WCQYABFASA-N 311.349 -0.069 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)[C@@H]4CN(C)CCO4)C[C@@]3(C1)O2 1070779775 HDXACBNFMINAKK-QSJFSLAZSA-N 319.405 -0.748 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H](NC(=O)CS(C)(=O)=O)C1 1071227120 ZYPXVVBWHCSSIV-NXEZZACHSA-N 301.368 -0.702 30 20 DBED C#CCN1CCN([C@H]2CCCN(C(=O)CC(C)(C)O)C2)C(=O)C1 1071264439 WFNAGJRUMPSBTD-AWEZNQCLSA-N 321.421 -0.084 30 20 DBED C=CCOCC(=O)N[C@H]1CN(C(=O)Cn2cnnc2O)C[C@@H]1C 1071941722 CZZFOBRQEKKEGA-QWRGUYRKSA-N 323.353 -0.851 30 20 DBED C=CCOCC(=O)N[C@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1C 1072636065 LFQZISLTCOZVPD-MNOVXSKESA-N 309.366 -0.582 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(C)(NC(=O)CCn2cnnn2)CC1 1073228615 DUKBDQNSZJUQFZ-NSHDSACASA-N 319.369 -0.280 30 20 DBED N#CCN1CCO[C@@H]2CCN(C(=O)c3cnnc(O)c3)C[C@H]21 1074270327 FYFSZHAQAPBRNI-VXGBXAGGSA-N 303.322 -0.379 30 20 DBED C#CCN[C@@H]1CCO[C@@H](C2CCN(C(=O)CC(N)=O)CC2)C1 1075388045 GRKXICYTCNHLRG-ZIAGYGMSSA-N 307.394 -0.129 30 20 DBED C#CCCCC(=O)NCC[C@H](C)NC(=O)Cn1cnnc1O 1076307610 RHRGDGSTNBVBMY-NSHDSACASA-N 307.354 -0.202 30 20 DBED C[C@@H](CCNC(=O)C#CC1CC1)NC(=O)Cn1c(O)nnc1O 1076427991 YGNKUVRRHCCNNR-VIFPVBQESA-N 321.337 -0.886 30 20 DBED CCS(=O)(=O)CC(=O)NCC[C@H](C)NC(=O)C#CC1CC1 1076922264 PKCGGCFIPWQHLA-NSHDSACASA-N 314.407 -0.155 30 20 DBED Cc1c(C(=O)N[C@@H]2CN(CC#N)C[C@H]2O)nn2c1OCCC2 1077098033 MUNGEVOITCVFLE-GHMZBOCLSA-N 305.338 -0.728 30 20 DBED COCC(=O)NC1(CO)CCN(C(=O)c2ccc(C#N)[nH]2)CC1 1080674040 QCEFDBIZUVTVGX-UHFFFAOYSA-N 320.349 -0.384 30 20 DBED C#CCCCC(=O)N1CCC(CO)(NC(=O)CC(N)=O)CC1 1080785872 NIGSLMZSUBBHLK-UHFFFAOYSA-N 309.366 -0.865 30 20 DBED C[C@@H](C#N)C(=O)NC1(CO)CCN(C(=O)c2cn(C)nn2)CC1 1080979864 CPFGLUDVQWAKPI-JTQLQIEISA-N 320.353 -0.942 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)Cc2ncc[nH]2)C[C@@H]1O 1081336485 ZCAPVFSTPMWTJD-RYUDHWBXSA-N 306.366 -0.146 30 20 DBED CCOCC(=O)N1C[C@H](CNC(=O)c2cc(C#N)c[nH]2)[C@@H](O)C1 1081373191 DSEIKWPIXTUYLE-AAEUAGOBSA-N 320.349 -0.528 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1O 1081439691 SRPCFIXVDBAJCK-WDEREUQCSA-N 305.338 -0.843 30 20 DBED C#CCCN1C[C@@H](NC(=O)[C@H]2COCCN2CC)[C@H](OC)C1 1081873361 RJOZXMKLJXDLHT-RBSFLKMASA-N 309.410 -0.454 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H]2CN(CCS(C)(=O)=O)C[C@@H]21 1083026397 YRVFGWGBBSZOQL-SDDRHHMPSA-N 315.395 -0.898 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CCn1ccnn1 1083062903 HRKMASGQKOGQSI-UONOGXRCSA-N 303.366 -0.397 30 20 DBED C=C(Cl)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1C[C@H]1C(N)=O 1083194883 PTAGQBHXBVFQPI-NOOOWODRSA-N 313.785 -0.228 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2ccc3c(c2)OCCO3)C1 1084050955 VLULJYBFFLCVIL-NEPJUHHUSA-N 303.318 -0.244 30 20 DBED CC#CCN1CC[C@@H]1CN(C)C(=O)[C@@H]1COCCN1C(C)=O 1085979528 VGYXDKKOQQLWKA-CABCVRRESA-N 307.394 -0.210 30 20 DBED C#CCN[C@H]1C[C@@H](CNC(=O)c2ccc(S(N)(=O)=O)o2)C1 1086137479 KLRWAPXQHDODHF-AOOOYVTPSA-N 311.363 -0.342 30 20 DBED N#CCN1CC[C@H](NC(=O)c2ccnc3c2CC(=O)N3)[C@H](O)C1 1090393384 KCYPCCITCJPRQI-NWDGAFQWSA-N 315.333 -0.735 30 20 DBED C#CCCN1CC[C@@H](NC(=O)Cc2cn(CC)nn2)[C@@H](O)C1 1090443539 YGCPQKSERCHEAN-KGLIPLIRSA-N 305.382 -0.585 30 20 DBED C=CCN1CC[C@H](NC(=O)c2cc(C)c(C(N)=O)cn2)[C@H](O)C1 1090574707 WIODEHXEXXUFHH-GXTWGEPZSA-N 318.377 -0.160 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2c(C)nn(C)c2OC)[C@@H](O)C1 1090614909 CFLFTPACNITXSB-STQMWFEESA-N 320.393 -0.075 30 20 DBED COCc1nc(CC(=O)N[C@H]2CCN(CC#N)C[C@H]2O)cs1 1090709970 RNTUEMKEQUUWGH-NWDGAFQWSA-N 324.406 -0.093 30 20 DBED Cc1csc(=O)n1CC(=O)N[C@H]1CCN(CC#N)C[C@@H]1O 1090793640 GSDYWZAOBLTQGM-QWRGUYRKSA-N 310.379 -0.707 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cc(N(C)C)ccn2)[C@@H](O)C1 1090840446 ZSAGMQQUKCAVET-ZFWWWQNUSA-N 302.378 -0.054 30 20 DBED CO[C@H](C)C(=O)N[C@@H]1CN(c2ncc(C#N)cc2F)C[C@@H]1O 1091067703 NPYHWHKWEMLYRP-FXAINCCUSA-N 308.313 -0.207 30 20 DBED C[C@@H](CC(N)=O)C(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@@H]1O 1091175207 WPTTZBWYWYKWCC-WCQGTBRESA-N 317.349 -0.870 30 20 DBED C[C@@H]1[C@@H](NC(=O)CNC(N)=O)CCN1c1ccc(C#N)nn1 1091922777 NZQZIBSXVPKHPI-SCZZXKLOSA-N 303.326 -0.900 30 20 DBED CN1CC(=O)N(CC(=O)N2C[C@H]3CN(CC#N)C[C@@]3(C)C2)C1=O 1092260064 JNNDDYBUILMSCW-ABAIWWIYSA-N 319.365 -0.816 30 20 DBED N#CCN1CC(OC2CCN(C(=O)CCn3ccnn3)CC2)C1 1093529766 HQZGAQPDYXHWRV-UHFFFAOYSA-N 318.381 -0.116 30 20 DBED C=C(C)CN1CC(n2cc(CNC(=O)[C@H]3CCC(=O)N3)nn2)C1 1094281242 OYXSJJGMJCXDQB-CYBMUJFWSA-N 318.381 -0.394 30 20 DBED CN1C[C@H](C(=O)NCCCNc2nccnc2C#N)CC1=O 1094847557 VFFBNAZXZHRICF-SNVBAGLBSA-N 302.338 -0.255 30 20 DBED CNC(=O)CC(=O)N1CC[C@@H](N(C)c2ccnc(C#N)n2)C1 1095112059 CGGMXKCGLSIHDO-SNVBAGLBSA-N 302.338 -0.479 30 20 DBED CCC(=O)NCC(=O)N1CCCN(c2cncc(C#N)n2)CC1 1095175406 CKAQFRQPVJEXCR-UHFFFAOYSA-N 316.365 -0.087 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CN(C)CCO1)N=c1cc[nH]c(C#N)n1 1097768964 WQBOKLWZTKBLGE-QWRGUYRKSA-N 304.354 -0.983 30 20 DBED C[C@@H](CNC(=O)CN1CCOCC1=O)Nc1cncc(C#N)n1 1098356948 XBLYJQYKRUFDQS-JTQLQIEISA-N 318.337 -0.876 30 20 DBED C[C@H](CCNC(=O)CS(C)(=O)=O)Nc1cnc(C#N)cn1 1098854170 WLOHWVFQWDFQND-SECBINFHSA-N 311.367 -0.300 30 20 DBED C[C@@H](CCNC(=O)[C@H]1CCC(=O)N1)Nc1cncc(C#N)n1 1098930997 XYJAMWMOCLKSKE-GXSJLCMTSA-N 302.338 -0.066 30 20 DBED C=C(C)CN1C[C@@H]2CCC[C@]2(NC(=O)CN2CCNC(=O)C2)C1 1098974497 WNNMTXMCBWZLSV-YOEHRIQHSA-N 320.437 -0.035 30 20 DBED CNC(=O)NCCC(=O)NCC[C@@H](C)Nc1ccc(C#N)nn1 1099095756 KRRQYZZNNAKCDH-SNVBAGLBSA-N 319.369 -0.026 30 20 DBED C#CCN1C[C@@H](NC(=O)CNC(=O)OC)CC2(CCOCC2)C1 1099566892 XIVNBDCCUAFWFP-ZDUSSCGKSA-N 323.393 -0.037 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)c2[nH]ccc2C)[C@@H](O)C1 1099799759 RSOWBGSEVWBRMR-OLZOCXBDSA-N 320.393 -0.210 30 20 DBED C#CCOCCC(=O)N[C@H]1CCN(CCOCC=C)C[C@@H]1O 1099835671 NAADXXRBTKBADE-GJZGRUSLSA-N 310.394 -0.220 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)C(C)(C)C(=C)C)[C@H](O)C1 1099947673 YZWWWTGMLNQITN-UONOGXRCSA-N 321.421 -0.111 30 20 DBED CC#CCN1CC[C@H](NC(=O)C(C)(C)NC(=O)NCC)[C@H](O)C1 1100023987 CBAWMYDNKXQVHX-QWHCGFSZSA-N 324.425 -0.341 30 20 DBED C[C@@H](C(=O)NCCN(C)c1ccc(C#N)cn1)S(C)(=O)=O 1100394246 UKVROTIFPHKWIG-JTQLQIEISA-N 310.379 -0.061 30 20 DBED CCN(CCNC(=O)CN1CCCC1=O)c1cnc(C#N)cn1 1100440944 WOPJJWQVQDNIOQ-UHFFFAOYSA-N 316.365 -0.087 30 20 DBED C#CCNC(=O)CC(=O)NCCN(CC)c1nccnc1F 1100497394 XMGZROADGNJFSP-UHFFFAOYSA-N 307.329 -0.302 30 20 DBED C=CCNC(=O)CNC1CC(CNC(=O)[C@H](C)CC(N)=O)C1 1100564725 UNVRIWVFQIWIJA-VOMCLLRMSA-N 310.398 -0.716 30 20 DBED CN(CCNc1ccc(C#N)nn1)C(=O)c1cc(C(N)=O)c[nH]1 1101728720 JXRJWEQOWZMCIV-UHFFFAOYSA-N 313.321 -0.041 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@H](C)C#N)C1 1102784023 KXCSMYGZKFBWEE-MGPQQGTHSA-N 304.394 -0.030 30 20 DBED C[C@H](CNC(=O)Cn1cncn1)CNc1cncc(C#N)n1 1103971244 YGHKZUGTOSNBPX-JTQLQIEISA-N 300.326 -0.196 30 20 DBED C[C@H]1CN(C(=O)CNC(N)=O)CC[C@@H]1N=c1cc[nH]cc1C#N 1105029538 DGZOPGUUKMUENQ-JQWIXIFHSA-N 316.365 -0.308 30 20 DBED C#CCNCc1cn(C2CN(C(=O)[C@H]3C[C@H](C)CO3)C2)nn1 1105285996 ZYTJEDJWWVDXEM-SMDDNHRTSA-N 303.366 -0.191 30 20 DBED C=C(C)CNCc1cn(C2CN(C(=O)c3cnn(C)n3)C2)nn1 1105340950 ZBRIRMBHPHELBZ-UHFFFAOYSA-N 316.369 -0.231 30 20 DBED CN(CCN(C)c1cncc(C#N)n1)C(=O)CCc1nc[nH]n1 1105376382 CEZCTHIIIFTXQZ-UHFFFAOYSA-N 314.353 -0.006 30 20 DBED CCCC(=O)NCC(=O)NC[C@@H](O)CNc1nccnc1C#N 1105727058 FUOMGHBOVVNILK-SNVBAGLBSA-N 320.353 -0.846 30 20 DBED Cc1cc(C(=O)NC[C@H](O)CNc2nccnc2C#N)ncn1 1105788003 DBVFXCFQDNJGCJ-SNVBAGLBSA-N 313.321 -0.351 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)CN2CCCC2)nc1 1105856055 MXPDGEVVQAXBOX-CYBMUJFWSA-N 303.366 -0.062 30 20 DBED C=CCOCC(=O)N1C[C@@H](C)[C@H](CNCc2nc(=O)n(C)[nH]2)C1 1105943180 YLHUUCQBIFYWBB-VXGBXAGGSA-N 323.397 -0.505 30 20 DBED C#CCOCCC(=O)N1C[C@@H](C)[C@H](CN[C@H]2CCN(C)C2=O)C1 1106117203 KGKAUJCMCRCFCR-KFWWJZLASA-N 321.421 -0.059 30 20 DBED Cc1nnccc1C(=O)NC[C@@H](O)CNc1nccnc1C#N 1106173339 ODDOBCPSIKGBAN-JTQLQIEISA-N 313.321 -0.351 30 20 DBED C#CCCCC(=O)NCc1cn(C2CN(C[C@@H](C)O)C2)nn1 1107164449 BQQNFJRNOXWVJX-GFCCVEGCSA-N 305.382 -0.065 30 20 DBED CNC(=O)C1(C(=O)NC/C=C/CNc2cnc(C#N)cn2)CC1 1107251949 BYJMUUIMJBTBNM-NSCUHMNNSA-N 314.349 -0.041 30 20 DBED CN1C[C@H](C(=O)NC/C=C\CN=c2cc[nH]cc2C#N)NC1=O 1107450596 GTQWRIVHKRTYQC-XQJDBVBESA-N 314.349 -0.517 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@]1(C)CN(CC#CC)CCO1 1107885236 UASSEWQSUZYAFV-INIZCTEOSA-N 305.378 -0.644 30 20 DBED Cn1ncnc1COCC(=O)NC[C@]1(C)CN(CC#N)CCO1 1108313319 AZGQUAGFZNYVOJ-CQSZACIVSA-N 322.369 -0.938 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)[C@@H]1CCNC(=O)C1 1108335785 VRSUVCPCJCBAOO-VHSXEESVSA-N 302.338 -0.787 30 20 DBED CN1C(=O)CCC[C@H]1C(=O)NC[C@@]1(C)CN(CC#N)CCO1 1108373163 PJOHAZQKLBTTQW-WFASDCNBSA-N 308.382 -0.272 30 20 DBED CC#CCN1CC(N2C[C@@H](NC(=O)[C@@H](C)COC)CC2=O)C1 1108524016 XKJQGHHKKQHMHI-STQMWFEESA-N 307.394 -0.307 30 20 DBED C=C(C)CN1CC(N2C[C@@H](NC(=O)[C@H](O)C(C)C)CC2=O)C1 1108540542 ASEUIRZVFHLUJZ-SWLSCSKDSA-N 309.410 -0.019 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)[C@H](C(C)C)N(C)C)CC2=O)C1 1108553421 MEPFEDMLKNODLK-BBRMVZONSA-N 320.437 -0.393 30 20 DBED C[C@@H](CNc1ccc(C#N)cn1)NC(=O)[C@@H]1CN(C)C(=O)N1 1108635631 NSTROXXXCAGZLV-ONGXEEELSA-N 302.338 -0.107 30 20 DBED Cc1cc(C#N)nc(N(C)C[C@H](C)NC(=O)[C@@H]2COC(=O)N2)n1 1108926846 LYWZYVOXVPUDSK-ONGXEEELSA-N 318.337 -0.294 30 20 DBED CC1(NC(=O)CC(N)=O)CCN(c2cncc(C#N)n2)CC1 1110589465 QZOHQRNSBKBPIE-UHFFFAOYSA-N 302.338 -0.301 30 20 DBED CCOCC(=O)N(C)[C@H]1CN(c2ccc(C#N)nc2)C[C@@H]1O 1111169767 IZNNZOLVAKFPPQ-KBPBESRZSA-N 304.350 -0.002 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(c2ccc3nnnn3n2)C[C@H]1O 1112715712 PZACWLLFBQLCNA-GHMZBOCLSA-N 317.353 -0.601 30 20 DBED CC(=O)N(C)CC(=O)N[C@@H](C)[C@@H](C)N=c1cc[nH]c(C#N)n1 1112962536 IMMPPYBOFRJFEL-ZJUUUORDSA-N 304.354 -0.446 30 20 DBED C[C@H](NC(=O)CN1CCOCC1)[C@H](C)Nc1ccc(C#N)nn1 1112970624 FYKYXCHJXPEXKW-RYUDHWBXSA-N 318.381 -0.014 30 20 DBED CCCc1cc(C(=O)N2CCN(CC(=O)NCC#N)CC2)n[nH]1 1113177126 MCULGBIJCKPURW-UHFFFAOYSA-N 318.381 -0.240 30 20 DBED C[C@H](CNC(=O)[C@H]1CN(C)C(=O)N1)N(C)c1ccncc1C#N 1113801783 ADAGSBLTQSWKIN-ZYHUDNBSSA-N 316.365 -0.082 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)COCC3CC3)[C@H]2C1 1113926578 CXPFTEJIJCDOSQ-STQMWFEESA-N 307.394 -0.238 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3cnsn3)[C@H]2C1 1113931729 JGJIYUYSYKUYJJ-GDGBQDQQSA-N 307.379 -0.500 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)CC(F)(F)F)[C@H]2C1 1113980134 XIWNIGPQBYMONC-GDGBQDQQSA-N 303.284 -0.265 30 20 DBED CSC[C@H](C)C(=O)NC1[C@H]2CN(CC(=O)NCC#N)C[C@H]12 1114041220 IFBNWCHPDYYBJG-DCAQKATOSA-N 310.423 -0.328 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3ccncc3F)[C@H]2C1 1114090726 JETYXAZAXQGWGM-RYUDHWBXSA-N 316.336 -0.370 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC3CC3)C[C@@H]21 1114193797 HPZISCXLTSDGFR-OSRSDYAFSA-N 321.421 -0.114 30 20 DBED C#CCOCCC(=O)NC1[C@H]2CN(CCS(C)(=O)=O)C[C@H]12 1114266268 NHNNPSMQWBVEIY-RYUDHWBXSA-N 314.407 -0.883 30 20 DBED C=C(C)CCN1C[C@H]2[C@H](NC(=O)[C@@H](C)NS(C)(=O)=O)[C@H]2C1 1114888387 GGXISIRSUUSGIE-NDBYEHHHSA-N 315.439 -0.063 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)COCCN(C)C)[C@H]2C1 1115126265 LHNKPRZBOGRCDD-FOLVSLTJSA-N 309.410 -0.739 30 20 DBED CN(C(=O)CNC(N)=O)[C@H](CNc1nccnc1C#N)C1CC1 1115466916 DFOVHEPYNHYQRH-LLVKDONJSA-N 317.353 -0.335 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCOC[C@H]1c1ccco1 1117437255 WMQAMKCNZSXMGR-LBPRGKRZSA-N 306.318 -0.055 30 20 DBED C#CCSCCNC(=O)C(=O)N1CC(=O)N[C@H]2CCCC[C@H]21 1117462495 YMYYULSKHVKYCL-NWDGAFQWSA-N 323.418 -0.261 30 20 DBED C#CCNC1CC2(C1)CC(NC(=O)CCNC(=O)COC)C2 1121194476 UTFLOIWAQQYDKC-UHFFFAOYSA-N 307.394 -0.211 30 20 DBED CCO[C@H](C)C(=O)NC[C@H](CO)N=c1cc(C)[nH]cc1C#N 1121220794 IMAMMFFNXGVQTB-DGCLKSJQSA-N 306.366 -0.002 30 20 DBED CN1CCC[C@H]1C(=O)NC[C@H](CO)Nc1ccc(C#N)cn1 1121240151 GBSLAKOXKHPJFF-OLZOCXBDSA-N 303.366 -0.064 30 20 DBED CCn1nncc1C(=O)NC[C@@H](CO)Nc1cncc(C#N)n1 1121471936 LAGMFZJRTMUWEP-JTQLQIEISA-N 316.325 -0.838 30 20 DBED CCc1nc(C(=O)NC[C@@H](CO)N=c2cc[nH]c(C#N)n2)co1 1121473678 YNXAODSVDQZHDA-VIFPVBQESA-N 316.321 -0.477 30 20 DBED C=CCO[C@H](C)C(=O)NC[C@H](CO)Nc1cncc(C#N)n1 1121757318 RRSXQYOUHSQOIJ-ZYHUDNBSSA-N 305.338 -0.172 30 20 DBED CN(C)CCCC(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1 1122416449 ISFWQZGQWVEJML-NSHDSACASA-N 306.370 -0.999 30 20 DBED N#Cc1sc(N[C@@H](CO)CNC(=O)C(N)=O)nc1Cl 1122451218 GJFCGPNHYREMRU-SCSAIBSYSA-N 303.731 -0.958 30 20 DBED CCC(=O)N[C@@H](C)C(=O)NC[C@@H](CO)Nc1ccc(C#N)cn1 1122752704 QFQURRQAELEYRA-JQWIXIFHSA-N 319.365 -0.243 30 20 DBED CC1(C)CN(C(=O)CNC(N)=O)C[C@H]1Nc1cncc(C#N)n1 1123900807 HCRNKTLMRVQVAB-SNVBAGLBSA-N 317.353 -0.335 30 20 DBED CS[C@H](C)C(=O)N(C)C[C@@H](O)CN=c1cc[nH]c(C#N)n1 1124105441 NEYNGPSLNJZKGG-ZJUUUORDSA-N 309.395 -0.247 30 20 DBED C[C@H](C#N)C(=O)N(C)C[C@H](O)CN=c1ccc2ncc[nH]c-2n1 1124190732 IZHVFPVDYOIVIX-GHMZBOCLSA-N 314.349 -0.211 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)c1cc(C)[nH]n1 1124247725 UYAFOMJDEWQTKE-JTQLQIEISA-N 322.369 -0.562 30 20 DBED C=CCOCC(=O)NCCN[C@@H](C)C(=O)NCCCOC 1124772623 HCQYCVXTKOWCNW-LBPRGKRZSA-N 301.387 -0.564 30 20 DBED COCC(=O)N(C)C[C@H](O)CN(C)c1ncc(C#N)cc1F 1124924243 BNPBQOZBWOGZDA-NSHDSACASA-N 310.329 -0.006 30 20 DBED C#CCOCCC(=O)N(C)C[C@@H](O)CN(C)c1nccnc1F 1125163201 XSBNMNYDEPDRAT-GFCCVEGCSA-N 324.356 -0.089 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)c1cn(C)nc1COC 1130449551 UIKNJMANLQPIGA-NSHDSACASA-N 323.397 -0.423 30 20 DBED CC(=O)N[C@@H](C(=O)NCCNCC(=O)NCC#N)C1CCCC1 1131080191 OEMBPNNCXHRSNY-CQSZACIVSA-N 323.397 -0.973 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCC(=O)NCCN(CCO)CC1 1131396775 CFHYEVRRXKGBRE-ZDUSSCGKSA-N 313.398 -0.780 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](C)O[C@@]2(CCN(CC(N)=O)C2)C1 1131662007 RYDMINQKONXRKE-CZUORRHYSA-N 307.394 -0.177 30 20 DBED C#CCNC[C@@H]1CN(C(=O)c2nccnc2C(N)=O)CC[C@@H]1C 1133297298 IVDXCPJHMWDBHL-NWDGAFQWSA-N 315.377 -0.104 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)CCc1nc[nH]n1 1134041383 FYARMEUUGBGLRS-RYUDHWBXSA-N 320.397 -0.640 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)NCCNCC(=O)N1CCC1 1134813036 XQPLDVGXOJTVFF-CYBMUJFWSA-N 310.398 -0.605 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)Cc1nonc1C 1135823436 AVAQQKCIUVDVAF-MNOVXSKESA-N 321.381 -0.457 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@H]1Cc2c(C)cccc2O1 1148000486 QXCLBDLAMIRLQM-OAHLLOKOSA-N 315.373 -0.246 30 20 DBED CCN(CCN(C)S(C)(=O)=O)[C@H](C)CNC(=O)[C@H](C)C#N 1152413766 QTQKYNHJDWQWCL-VXGBXAGGSA-N 318.443 -0.136 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)c1[nH]cnc1C 1153831746 LAPFKSIBWDMUGZ-JTQLQIEISA-N 322.369 -0.562 30 20 DBED CCN(CCC#N)C(=O)CNCCCNC(=O)c1cnn(C)c1 1154510173 ILROJUQJIRKHFM-UHFFFAOYSA-N 320.397 -0.108 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)NCCCNC(=O)[C@H](C)OC 1155260277 QIOAQZVCLNPDTA-MNOVXSKESA-N 314.386 -0.483 30 20 DBED O=C(Cn1ncnn1)NCCCNCC#Cc1ccc(F)cc1 1158163014 GBNJRRHLLUCSNC-UHFFFAOYSA-N 316.340 -0.040 30 20 DBED C=CCNC(=O)CNCCCNC(=O)c1cnn2c1CCC2 1159471704 PCMJOBMSZALSAY-UHFFFAOYSA-N 305.382 -0.159 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)CCCCC(N)=O 1170634078 COUICLHMOHTHLI-GFCCVEGCSA-N 310.398 -0.734 30 20 DBED COCC#CCNCCCNC(=O)c1nc2nccc(C)n2n1 1175239832 TWRJSWUGVWAEPW-UHFFFAOYSA-N 316.365 -0.208 30 20 DBED C[C@@H](CCCCNCC#N)NC(=O)c1cn(C)c(=O)n(C)c1=O 1175538478 OWWAKUXZAGATNM-NSHDSACASA-N 321.381 -0.514 30 20 DBED CC(C)(C)C(=O)N1CC[C@H]2OCCN(CC(=O)NCC#N)[C@@H]2C1 1177133251 ZFWFGDXDQXYJET-CHWSQXEVSA-N 322.409 -0.026 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)COCCN(C)C)C[C@H]21 1177139655 SVGFXZZGCMBMMD-CABCVRRESA-N 309.410 -0.501 30 20 DBED C=CCOCC(=O)N1CC[C@H](N[C@H](C)C(=O)NC(N)=O)[C@@H]1C 1178332166 HHSJDEOUJMZMBL-VWYCJHECSA-N 312.370 -0.649 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)CCOCC#C)[C@H]1C 1178688423 CLZBQDAQTAQLPI-ILXRZTDVSA-N 319.405 -0.257 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2c(C)noc2C)C1 1180913741 KZHZHIYMLKGXIS-GFCCVEGCSA-N 304.350 -0.155 30 20 DBED C=CCCCN[C@@H]1CCN(C(=O)[C@H](CCC(N)=O)NC(C)=O)C1 1186377267 NDIPQHJKHOUPLZ-KGLIPLIRSA-N 324.425 -0.087 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)Cn2ccnc2C)C1 1187852028 ZOEMRFRVHYJIAR-GXTWGEPZSA-N 317.393 -0.480 30 20 DBED C#CCN1C[C@@H]2CCN(C(=O)CN(C)CC(=O)NC(C)C)[C@@H]2C1 1188449932 FYFAITFRJKVSLC-LSDHHAIUSA-N 320.437 -0.391 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2cnsn2)C1 1189059425 PNCFBZXRFKZEIS-JTQLQIEISA-N 307.379 -0.566 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@H](N(C)Cc2cn(C)nn2)C1 1190105796 QEQALRSGTXUNEU-OCCSQVGLSA-N 305.382 -0.114 30 20 DBED C=CCCN(C)[C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 1190247550 QNXIGMMPFKOPDH-LLVKDONJSA-N 306.370 -0.514 30 20 DBED CN(CC(=O)NCC#N)[C@@H]1CCN(C(=O)c2cc(F)c[nH]2)C1 1191400622 VSQXLUSOEUGWHW-LLVKDONJSA-N 307.329 -0.060 30 20 DBED COCCc1noc(CN2C[C@@H](O)[C@H](NC(=O)[C@@H](C)C#N)C2)n1 1191853984 JBCZPGJGAONQKE-HBNTYKKESA-N 323.353 -0.921 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)COCCOC)C1 1191916821 RAESMYDVDPQGEP-CHWSQXEVSA-N 302.371 -0.987 30 20 DBED CN(CC(=O)NCC#N)[C@@H]1CCN(C(=O)Cc2cscn2)C1 1192696058 LFJHPWSFXJGMPZ-GFCCVEGCSA-N 321.406 -0.142 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCCN(C(=O)C2=COCCO2)CC1 1194725264 BNPZFFDSKQHLCM-CYBMUJFWSA-N 321.377 -0.453 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)CCn2ncn(C)c2=O)C1 1194952901 VHFPIYSPQMQMMU-CHWSQXEVSA-N 323.397 -0.901 30 20 DBED C=C(C)C(C)(C)C(=O)N[C@@H]1CN(C[C@H](O)COC)C[C@H]1O 1195255686 XYIKRBMQSXOMOD-YNEHKIRRSA-N 300.399 -0.243 30 20 DBED COCC#CCN1CCCN(C(=O)[C@@H]2CCCNC2=O)CC1 1196215354 CIJAPXDAKOZMQO-CQSZACIVSA-N 307.394 -0.303 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)CNC(=O)c2cccc(F)c2)C1 1198359644 QVJLFCQKXWPMOR-ZIAGYGMSSA-N 319.336 -0.650 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)c2cc(CC)n(C)n2)C1 1199480472 PJUXSIXJCCDQTQ-HUUCEWRRSA-N 322.409 -0.040 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)Cc2n[nH]c(C)n2)CCCO1 1200451942 ABDFMSONEROWCJ-CYBMUJFWSA-N 305.382 -0.114 30 20 DBED C[C@@H]1CN([C@@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)CSCC#N 1206090243 NQDXJAYJKNZLJB-GMTAPVOTSA-N 324.406 -0.515 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2cc(C)n(C)n2)[C@H](C)C1 1206273526 CJWNYVKBVYGQPD-BXUZGUMPSA-N 317.393 -0.472 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CN(C[C@H](O)COC)C[C@H]2C)nn1 1209254650 NRZHUAVMWOESLD-FRRDWIJNSA-N 323.397 -0.479 30 20 DBED C[C@@H]1CC[C@H](C(=O)N2CCC[C@H](NCC(=O)NCC#N)C2)O1 1209714669 ADLQXDLMNUMTRO-FRRDWIJNSA-N 308.382 -0.226 30 20 DBED C=CCN1C[C@@H](NC(=O)CNC(=O)c2ccccn2)[C@H](OC)C1 1213905758 MFYYMQPLMIOZPS-ZIAGYGMSSA-N 318.377 -0.187 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)C2=COCCO2)C[C@H]1C 1214080042 DPTFMZJGMHTNIE-VXGBXAGGSA-N 307.350 -0.940 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](NCc2cnsn2)[C@H](C)C1 1214471692 BAUOMNVMBZLNTE-ZYHUDNBSSA-N 321.406 -0.386 30 20 DBED CC[C@H](CN1C[C@H](O)[C@H](NC(=O)CSCC#N)C1)OC 1219218706 WCXLNFATGLXYFT-UTUOFQBUSA-N 301.412 -0.171 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)[C@H](C)NS(=O)(=O)CC)C1 1219672530 XCSLDXSWIMEATN-TUAOUCFPSA-N 319.427 -0.948 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)CCn2c(C)csc2=O)C1 1219806820 PXBVUDRBGKKCNK-NEPJUHHUSA-N 311.407 -0.044 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)CCc2ccncc2)C1 1219934082 BGSXBUNIJGSBHR-CVEARBPZSA-N 317.389 -0.175 30 20 DBED N#CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3ccc[nH]3)[C@@H]2C1 1221266942 DWCFISPNRADJJE-DGCLKSJQSA-N 301.350 -0.199 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)CCCC(N)=O)C1 1222111748 ULGPQQDJNUMSLX-GFCCVEGCSA-N 310.398 -0.475 30 20 DBED CCO[C@@H](C)C(=O)N1CC[C@H]2CCN(CC(=O)NCC#N)[C@H]2C1 1222310985 UKPYATANYZESJA-MJBXVCDLSA-N 322.409 -0.026 30 20 DBED C#CCNC(=O)[C@H](C)N(C)CCCNC(=O)Cn1cccn1 1233947456 PJVZLZHJRCFHMS-ZDUSSCGKSA-N 305.382 -0.541 30 20 DBED C=CCOC[C@H]1NC(=O)N(C[C@@H]2CCS(=O)(=O)C2)C1=O 1257783993 AMHBNKRCSSIILI-VHSXEESVSA-N 302.352 -0.456 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N(C)CCS(=O)(=O)CC 1261154889 VBZCYVOQUYEVMO-SNVBAGLBSA-N 306.384 -0.803 30 20 DBED C=CC[C@@H](CC)NC(=O)C(=O)Nc1ccc(=O)n(CC(N)=O)c1 1261513221 NKDLTRPGCQBRAT-SNVBAGLBSA-N 320.349 -0.257 30 20 DBED C#CCOCCNC(=O)C(=O)NCc1cc(N(C)C)ccn1 1262255665 UOTKCCZSVGQREU-UHFFFAOYSA-N 304.350 -0.470 30 20 DBED CN(CCNC(=O)C(=O)N1CCO[C@H](C#N)C1)CC(F)(F)F 1322263605 ZENSWCDWIMPYRD-SECBINFHSA-N 322.287 -0.652 30 20 DBED CCN(CC(C)(C)O)C(=O)C(=O)NC1CCN(CC#N)CC1 1322563193 QWHYBPXEVOHLTH-UHFFFAOYSA-N 310.398 -0.290 30 20 DBED C#CCNC(=O)C1CCN(C(=O)C(=O)NCC(C)(C)OC)CC1 1323665053 QFSIWMBNYJIOMA-UHFFFAOYSA-N 323.393 -0.484 30 20 DBED C=CCn1cc(CNC(=O)C(=O)NC2CCN(OC)CC2)nn1 1325973148 DCLQBQVYPRBZSF-UHFFFAOYSA-N 322.369 -0.778 30 20 DBED N#CC[C@H]1CCCN(C(=O)NCCOCCS(N)(=O)=O)C1 1330702261 BMPHLARGMYLYSA-LLVKDONJSA-N 318.399 -0.373 30 20 DBED C#CCN1CCC[C@H](NC(=O)N2CCO[C@@H](C(=O)NC)C2)C1 1330933209 CGEDUGFGISDUCB-QWHCGFSZSA-N 308.382 -0.760 30 20 DBED N#CCCN1CCN(C(=O)C(=O)NCCOC2CCC2)CC1 1331273676 FPUWQEMDPAFYPE-UHFFFAOYSA-N 308.382 -0.270 30 20 DBED C#CCSCCNC(=O)C(=O)N[C@H]1CS(=O)(=O)C[C@H]1C 1331699894 HAYMZBQEXFXTFV-ZJUUUORDSA-N 318.420 -0.982 30 20 DBED C[C@H](NC(=O)C(=O)N1CCC(C#N)CC1)[C@@H]1CN(C)CCO1 1343131406 PEKOYQRUBWNTSQ-AAEUAGOBSA-N 308.382 -0.416 30 20 DBED C=CCCOCCn1nnnc1N1CCO[C@@H](C(=O)NC)C1 1344022695 GHNJEVOCJLMQDA-LLVKDONJSA-N 310.358 -0.783 30 20 DBED CCN1CCN(CC(=O)OCC#Cc2ccccn2)C(=O)C1=O 1344857515 PFLISMXAXWSQOR-UHFFFAOYSA-N 315.329 -0.333 30 20 DBED C#CCOCCNC(=O)C(=O)NC[C@@H]1CSCCS1 1346391295 LVBVCFMFGPIOMA-SNVBAGLBSA-N 302.421 -0.283 30 20 DBED C=C(CO)C(=O)N1CCN(S(=O)(=O)N(CC)CC)CC1 1352243280 UWEKMQJLABPBOR-UHFFFAOYSA-N 305.400 -0.734 30 20 DBED C#CCSCCNC(=O)C(=O)N1CCOC[C@@H]1COC 1354623557 MYSVNCPMIVWPJY-NSHDSACASA-N 300.380 -0.657 30 20 DBED Cc1cccc(CCNC(=O)Cn2cc(C#N)c(O)nc2=O)n1 1362620320 MYLUSJMBXGQRBJ-UHFFFAOYSA-N 313.317 -0.117 30 20 DBED CC(C)(C)OC(=O)C1=NO[C@@H](C(=O)N2CC(O)(CC#N)C2)C1 1362960258 XFIKUZNVCDEXII-SNVBAGLBSA-N 309.322 -0.040 30 20 DBED COc1coc(C(=O)N2CC(NC(=O)[C@@H](C)C#N)C2)cc1=O 1387804478 CMACXCJVADETDD-QMMMGPOBSA-N 305.290 -0.251 30 20 DBED CC(=O)N1CC(C(=O)N2CCC[C@H](NC(=O)[C@@H](C)C#N)C2)C1 1388942359 GTWCJSOZTPXCND-GWCFXTLKSA-N 306.366 -0.268 30 20 DBED C[C@@H](C#N)C(=O)NCC1CN(C(=O)C[C@@H]2CCN(C)C2=O)C1 1389923875 QPMBLUABLJPNNM-JQWIXIFHSA-N 306.366 -0.411 30 20 DBED C[C@H](C#N)C(=O)N(C)CCN(C)CC(=O)Nc1cnccn1 1406083615 XLRMYELURKNEDC-LLVKDONJSA-N 304.354 -0.035 30 20 DBED CCN(C(=O)CNC(=O)NC)[C@@H]1CCN(C(=O)[C@@H](C)C#N)C1 1409208502 JUKJVWPUHQYUPV-WDEREUQCSA-N 309.370 -0.476 30 20 DBED COC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1ccc(C#N)n1C 1411639914 DLEOGSRUCLIBHR-LLVKDONJSA-N 304.306 -0.600 30 20 DBED Cc1cnn(CC(=O)N(C)C[C@H](O)CNC(=O)[C@H](C)C#N)c1 1413237364 PHGZYLWMXUEELS-VXGBXAGGSA-N 307.354 -0.713 30 20 DBED CC(=O)N[C@@H](C)C(=O)N1CCC2(CN(C(=O)[C@@H](C)C#N)C2)C1 1413740761 LTRWJEJENZVDEJ-QWRGUYRKSA-N 306.366 -0.268 30 20 DBED C[C@H](C#N)C(=O)NCC1CN(C(=O)C[C@H]2CCC(=O)N2C)C1 1416121117 RNFKCKTVYDBLBL-ZYHUDNBSSA-N 306.366 -0.268 30 20 DBED CCN(CCC#N)C(=O)CN[C@H](C)CNC(=O)c1ccnnc1 1419844701 BZTBURGIEHKGQR-GFCCVEGCSA-N 318.381 -0.053 30 20 DBED CN(CCN(C)C(=O)c1cc(C#N)c[nH]1)C(=O)Cn1ncnn1 1431358217 JMJHJHAQNQIKQM-UHFFFAOYSA-N 316.325 -0.897 30 20 DBED Cc1cc(OCC(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)no1 1445655529 UJPSTJLRQYQGLM-GDPRMGEGSA-N 322.321 -0.791 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](C)NC(=O)c1ccc2nnnn2c1 1448169795 GGIHBMAQZXPZTJ-DTWKUNHWSA-N 301.310 -0.482 30 20 DBED CC[C@H](C)[C@H](OC)C(=O)NCCn1cc(C#N)c(O)nc1=O 1453847438 ZITBURRXHWYHNQ-ONGXEEELSA-N 308.338 -0.002 30 20 DBED C=C(Cl)CN[C@H](C)CNC(=O)Cn1[nH]cc2c(=O)ncnc1-2 1491615086 SUTAYBUJPGFCDU-SECBINFHSA-N 324.772 -0.082 30 20 DBED CCO[C@H](CC)C(=O)NC[C@@H](O)CNC(=O)c1ccc(C#N)[nH]1 1501447000 VBMKMWABSIFFME-WCQYABFASA-N 322.365 -0.092 30 20 DBED CCCN(CCNC(=O)[C@@H](C)C#N)C(=O)[C@@H]1CC(=O)NC(=O)N1 1529649935 IDYPOTXZFYYJAO-UWVGGRQHSA-N 323.353 -0.901 30 20 DBED C#CCC1(C(=O)N[C@@H](CO)CNC(=O)CNC(=O)O)CCC1 1573303517 PDPGYLUPXAUNHH-SNVBAGLBSA-N 311.338 -0.959 30 20 DBED C[C@H](C#N)C(=O)N1CCN(c2nccnc2-c2nn[nH]n2)CC1 1573570862 VUYITVVLEAOTOV-SECBINFHSA-N 313.325 -0.535 30 20 DBED N#Cc1ccc(CN2CCCN(C(=O)C3(O)CNC3)CC2)cc1 1574245533 RBNXHNBLRRNYEQ-UHFFFAOYSA-N 314.389 -0.073 30 20 DBED C#CCOc1ccc(C(=O)N2CCOC[C@]2(CN)CO)cc1 1574736319 YVWIOVFQWFPXRC-INIZCTEOSA-N 304.346 -0.139 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N1CC[C@]2(CNCCO2)C1 1575045110 DHSFKGBAIAALDY-NEPJUHHUSA-N 302.400 -0.613 30 20 DBED N#CCSCC(=O)N1CCO[C@H](CNCc2cnn[nH]2)C1 1577710167 RFZAVVWXDRORPK-LLVKDONJSA-N 310.383 -0.622 30 20 DBED C#CCN(CC(=O)O)c1nnnn1[C@H]1CCN(C(C)(C)C)C1=O 1588427423 XGQPWYCIOOEKOC-JTQLQIEISA-N 320.353 -0.231 30 20 DBED C=C[C@H](CO)NC[C@H](O)COc1ccccc1-c1nn[nH]n1 1588728228 OZRUSKTVIKPOKL-MNOVXSKESA-N 305.338 -0.257 30 20 DBED Cc1ccc(C(=O)OCC(=O)NCC#N)cc1-c1nn[nH]n1 1592130877 HXJLPNVPOGOJHE-UHFFFAOYSA-N 300.278 -0.028 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N1C[C@H](C)O[C@H](C(=O)O)C1 1596230985 FKKBXBNTYBRWCB-VWYCJHECSA-N 319.383 -0.113 30 20 DBED CN1CCN(S(=O)(=O)c2ccc(C#N)cc2C(=O)O)CC1=O 1598621827 ZLKGIQNOZUCILL-UHFFFAOYSA-N 323.330 -0.281 30 20 DBED C=CCNC(=O)NC(=O)CN1CCC2(CC1)CC(C(=O)O)=NO2 1602902038 KRNZXYIRXDFWBB-UHFFFAOYSA-N 324.337 -0.306 30 20 DBED COC(=O)CCNC(=O)CCNC(=O)[C@@](C)(C#N)CC(=O)O 1604318062 NMBQQLLGFJXSCU-CYBMUJFWSA-N 313.310 -0.823 30 20 DBED CN1C[C@H](C(=O)O)N(C(=O)Cc2ccc(C#N)nc2)CC1=O 1606200325 QUQKPHCNJUWMNJ-LLVKDONJSA-N 302.290 -0.750 30 20 DBED C[C@@H](NC(=O)N1CCN(CCC#N)CC1)[C@H]1CN(C)CCN1C 1649314234 XHBKZCOAXPXOMC-HUUCEWRRSA-N 322.457 -0.138 30 20 DBED N#Cc1cccc(C(=O)Nc2cnn(CC(=O)NCCO)c2)n1 1649814514 NFBILZMOYKXGLD-UHFFFAOYSA-N 314.305 -0.489 30 20 DBED N#CCNC(=O)CN1CCCC[C@@H]1CNC(=O)[C@H]1CCCO1 1752813322 BIQBEKVNAKCVBV-CHWSQXEVSA-N 308.382 -0.224 30 20 DBED COCC#CCNCCN(C)C(=O)c1cccn2nnnc12 1753195599 ZNMLBZYHAJJPRS-UHFFFAOYSA-N 302.338 -0.564 30 20 DBED C=CCNC(=O)CN[C@H](C)C1CCN(C(=O)c2cnn[nH]2)CC1 1753274937 SSNMKNDEPAEGAH-LLVKDONJSA-N 320.397 -0.063 30 20 DBED C=CCNC(=O)NC(=O)CN1CC(NC(=O)c2ccoc2)C1 1753370338 XIEMNCCGNLHPSV-UHFFFAOYSA-N 306.322 -0.295 30 20 DBED C[C@H]1CN(C(=O)c2cc[nH]n2)CC[C@@H]1NCC(=O)NCC#N 1753751416 QJMJIDZLVMZLBP-QWRGUYRKSA-N 304.354 -0.510 30 20 DBED C=CCN1CC[C@@H](NC[C@H](O)CNC(=O)c2c[nH]nc2C)C1=O 1753921893 MKIFWYOLKJCRMV-WCQYABFASA-N 321.381 -0.815 30 20 DBED C#CCOCCC(=O)N1CCC(C)(NCC(=O)NCC#N)CC1 1755127157 DPPFYHMICOYHBV-UHFFFAOYSA-N 320.393 -0.363 30 20 DBED C=CCCCN1CC(N2CCN(C(=O)[C@@H]3COC(=O)N3)CC2)C1 1755145099 BQHABGAJYPLVJQ-AWEZNQCLSA-N 322.409 -0.111 30 20 DBED Cc1noc(CCC(=O)N[C@H](C)[C@@H](C)NCC(=O)NCC#N)n1 1755246328 NRFPVHDYVXABDE-NXEZZACHSA-N 322.369 -0.567 30 20 DBED C=CCNC(=O)CN1CC([C@H](C)NC(=O)c2c[nH]c(=O)cn2)C1 1755380842 AXLALIUOFGCFDW-JTQLQIEISA-N 319.365 -0.878 30 20 DBED COCC#CCN[C@@H](C)[C@H]1CN(C(=O)C2=COCCO2)CCO1 1755438840 LPTKBYGSQHBJJJ-UONOGXRCSA-N 324.377 -0.270 30 20 DBED C=CCOCC(=O)N1C[C@@H](NCCNS(C)(=O)=O)C[C@@H]1C 1755672149 HCWTWPMOLNHMMD-RYUDHWBXSA-N 319.427 -0.683 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@H](C)N(C(=O)c2nn(C)cc2C)C1 1755678978 QTNNQARWRORQHN-STQMWFEESA-N 317.393 -0.329 30 20 DBED CCCN(C)CC(=O)N[C@@H]1CCCN(CC(=O)NCC#N)[C@H]1C 1755720881 KCFFUOFFGMMJOR-UONOGXRCSA-N 323.441 -0.063 30 20 DBED C#CCNC[C@H](O)CN(C)C(=O)COCc1ccnc(O)c1 1755790088 BHZPHLYIQYVTMT-ZDUSSCGKSA-N 307.350 -0.654 30 20 DBED Cc1cnoc1C(=O)N(C)C1CC(NCC(=O)NCC#N)C1 1755863841 NLLYWMYWSWWISF-UHFFFAOYSA-N 305.338 -0.185 30 20 DBED C#CCOCCC(=O)N(C)[C@H](C)CNC(=O)c1cnnn1CC 1756023514 WTARQAXQJAUEMA-GFCCVEGCSA-N 321.381 -0.085 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)CNC(N)=O)C1 1756160214 PYMLSOGALLPSGD-WCQGTBRESA-N 324.381 -0.791 30 20 DBED C#CCCCC(=O)N[C@H]1C[C@H](CNC(=O)Cn2cnnc2O)C1 1756249230 VAQLTOYMSDNTGW-HAQNSBGRSA-N 319.365 -0.202 30 20 DBED CCn1cc(C(=O)NC[C@@H](CO)NC(=O)C#CC2CC2)c(C)n1 1756522436 JUESCLLNSFHFAM-ZDUSSCGKSA-N 318.377 -0.168 30 20 DBED CC(C)C#CC(=O)N[C@H](CO)CNC(=O)c1n[nH]c2c1CCC2 1756533685 SHVJONHFQFEGDQ-NSHDSACASA-N 318.377 -0.235 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@H](CO)CNC(=O)c1cccnn1 1756544892 HJMHBIAQDITDKK-HZMBPMFUSA-N 308.338 -0.989 30 20 DBED CC(=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(C#N)CC3)[C@H]2C1 1786694610 VBLXOOXEMNBVEU-AVGNSLFASA-N 319.361 -0.141 30 20 DBED COCCN(CCC#N)S(=O)(=O)c1cnn(CC(=O)O)c1 71228435 CMXVEQVUOYVZJV-UHFFFAOYSA-N 316.339 -0.482 30 20 DBED Cc1c(C(=O)NC2(C#N)CC2)cnc2c1c(=O)n(C)c(=O)n2C 123272305 CCLAOYDOMGQCEL-UHFFFAOYSA-N 313.317 -0.273 30 20 DBED COC(=O)[C@@H](c1cccc(C#N)c1)N1CCN(CC(N)=O)CC1 177024562 DYVRWZTZYJWALN-OAHLLOKOSA-N 316.361 -0.125 30 20 DBED Cn1cnc2c1c(=O)n(CC(=O)OCC(C)(C)C#N)c(=O)n2C 180127210 ZAWQZNZKDHRSOJ-UHFFFAOYSA-N 319.321 -0.473 30 20 DBED C#CCC(C)(C)C(=O)N1CCN(CC(=O)NCCOC)CC1 184945087 XOKJQHWXTMTFCJ-UHFFFAOYSA-N 309.410 -0.057 30 20 DBED C#CCOc1ccc(F)cc1NC(=O)C(=O)NC(CO)CO 267318645 FFIRLSDECIKCHU-UHFFFAOYSA-N 310.281 -0.754 30 20 DBED CC#CC(=O)N[C@H](C(=O)NCCN1CCOCC1)[C@H](C)CC 283318292 VOJKBWDAHPIXQU-HIFRSBDPSA-N 309.410 -0.011 30 20 DBED C#CCSCCNC(=O)C(=O)/N=c1/ccnc2n(C)[nH]cc1-2 287621120 MUGBHYBMXUEGBO-WQRHYEAKSA-N 317.374 -0.237 30 20 DBED CN1CCOC[C@H]1/C(O)=N/[C@@H]1CC(=O)N(C)[C@H]1c1ccnn1C 329123368 LJVNDFAHKWCWHM-SCDSUCTJSA-N 321.381 -0.021 30 20 DBED C[C@@H]1C[C@@H]1N1C[C@H](/N=C(/O)N2CCN3C(O)=NC[C@@H]3C2)CC1=O 329805214 MTEOZJGZSHLADG-KKOKHZNYSA-N 321.381 -0.177 30 20 DBED CS(=O)(=O)N1CCC(C/N=C(/O)N[C@@H]2[C@H]3COC[C@H]32)CC1 329997810 RDTXWKVEFVWVDI-GDNZZTSVSA-N 317.411 -0.194 30 20 DBED CC1(C)CN(C(=O)Cn2cnc(C#N)n2)C[C@@]2(CCOC2)O1 330075550 DJBYMTWHZSZNOF-CQSZACIVSA-N 305.338 -0.054 30 20 DBED C[C@@H](CN1CCOCC1)N(C)S(=O)(=O)N(C)C[C@@H](C)C#N 330373679 BLLSJOCITKIZFO-STQMWFEESA-N 318.443 -0.025 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1CC[C@@H](CN(C)C)C1 336949542 RUTGWJFUZVVDJA-ZDUSSCGKSA-N 318.443 -0.023 30 20 DBED CC[C@H](C)N(C)CCNS(=O)(=O)N1CCO[C@@H](C#N)C1 337094927 PKEPTSKJVSHBPC-RYUDHWBXSA-N 304.416 -0.225 30 20 DBED COCCN(C)CCNC(=O)C(=O)Nc1ccc(C#N)cn1 340036895 APJRTPSQUTXJDR-UHFFFAOYSA-N 305.338 -0.414 30 20 DBED C=CCCOCCNC(=O)C(=O)NCc1ccc(C(N)=O)nc1 342014566 GKHSLXVLWSQMQS-UHFFFAOYSA-N 320.349 -0.494 30 20 DBED N#CCNC(=O)CNC(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O 343521251 IMNINVVMGMCRPT-GHMZBOCLSA-N 320.349 -0.692 30 20 DBED N#CCNC(=O)CNC(=O)NCCNC(=O)c1cccs1 344319459 QLPSWZFSUONYAR-UHFFFAOYSA-N 309.351 -0.583 30 20 DBED COCCN(CCN(C)C)C(=O)CNc1ccc(C#N)cn1 345452954 PRYBLCKCWNYOLB-UHFFFAOYSA-N 305.382 0.402 30 20 DBED N#CCNC(=O)CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 352527850 GBCOXKUIVLVQMT-UHFFFAOYSA-N 312.307 -0.346 30 20 DBED COC[C@H](C)NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 355516330 RTZFKZPCWNZYIH-JTQLQIEISA-N 311.363 -0.012 30 20 DBED CC[C@@H](CCO)NC(=O)C(=O)Nc1nn(C(C)C)cc1C#N 359395367 VBHDTWMTNNJEKG-NSHDSACASA-N 307.354 0.551 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@@H](C)[C@@H](CO)C2)C1=O 360817754 DRAHHEZUXFQFTE-NXEZZACHSA-N 309.322 -0.950 30 20 DBED COc1cc(C#N)ccc1S(=O)(=O)NCC1(CO)COC1 361966709 YNFCWVUHZJOBCV-UHFFFAOYSA-N 312.347 -0.146 30 20 DBED C=CCCCC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 370065204 AWWPEXDIUFPOEX-CHWSQXEVSA-N 316.423 -0.043 30 20 DBED C[C@H]1[C@@H](C)N(S(=O)(=O)N(C)[C@H](C)CC#N)CCS1(=O)=O 407974120 CDKKGBJFFHJANJ-MXWKQRLJSA-N 323.440 -0.027 30 20 DBED N#Cc1ccc(NCC(=O)N[C@@H](CO)CN2CCCCC2)nc1 413796063 CNPSASSASVWEER-CQSZACIVSA-N 317.393 0.328 30 20 DBED CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CNC(=O)C1 440461813 BMCHXEAVDIMEIO-JTQLQIEISA-N 316.317 -0.100 30 20 DBED N#Cc1cc(NC(=O)C(=O)N2C[C@@H](O)C[C@H]2CO)ccc1F 442270383 LJSAUQIHBOQCKY-QWRGUYRKSA-N 307.281 -0.410 30 20 DBED C=CCCCS(=O)(=O)N(C)C[C@H](O)CN1CCOCC1 489562770 VWGVGNITGHDXAN-ZDUSSCGKSA-N 306.428 -0.093 30 20 DBED C#C[C@@H](NC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)C(C)C 491013033 HTJSMJSDQDBBHM-CYBMUJFWSA-N 320.393 -0.223 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)Cc2ccc(C#N)cc2)CC1 491125291 CSYFXVHORUAQBO-UHFFFAOYSA-N 324.384 -0.006 30 20 DBED C#CCN(C)CCCNC(=O)c1cn(CC(=O)N(C)C)nn1 491637600 WABMLMCXYXBHPU-UHFFFAOYSA-N 306.370 -0.949 30 20 DBED C#C[C@@H](NC(=O)CNS(=O)(=O)c1cnn(C)c1)C(C)(C)C 491710619 USMPUWYPSCYSOK-LLVKDONJSA-N 312.395 -0.138 30 20 DBED N#Cc1cc([N+](=O)[O-])cnc1N1CCN2C(=O)[C@H](N)C[C@H]2C1 566491129 QVODNVGYEDQKGF-WDEREUQCSA-N 302.294 -0.390 30 20 DBED CC(=O)[C@H](NC(=O)CN1CCN(C(=O)CC#N)CC1)C(C)C 570407894 OLCUWLJCYXCINL-OAHLLOKOSA-N 308.382 -0.226 30 20 DBED N#Cc1ncn(CCNC(=O)NCC(=O)NC2CCCC2)n1 588117383 GNLCXBNLTXHORM-UHFFFAOYSA-N 305.342 -0.492 30 20 DBED CC[C@H](NC[C@@H](O)CN(C)CCC#N)C(=O)N1CCOCC1 591750401 XKAOFMKNDHHSDS-KGLIPLIRSA-N 312.414 -0.580 30 20 DBED Cc1n[nH]c(C)c1CCNc1c(C#N)c(=O)n(C)c(=O)n1C 596262001 VTMBJUFOERDWTD-UHFFFAOYSA-N 302.338 -0.050 30 20 DBED Cc1nnc(N2CCN(S(=O)(=O)CC3(C#N)CC3)CC2)n1C 601455740 OHIZDYJFDJYYAC-UHFFFAOYSA-N 324.410 -0.121 30 20 DBED CN(C)C[C@](C)(C#N)NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 602335921 VOWMKXIOAAXUIH-AAEUAGOBSA-N 316.427 -0.382 30 20 DBED Cn1cc(S(N)(=O)=O)cc1C(=O)N1CC[C@@](F)(C#N)C1 615607250 HWUPVHZIJJPYBX-LLVKDONJSA-N 300.315 -0.250 30 20 DBED C=CCCNC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 617614231 RXWZRMORXMBOCZ-QWRGUYRKSA-N 300.380 -0.286 30 20 DBED C=CCCNC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 665945702 MZYIVBIITSCWIH-UHFFFAOYSA-N 322.365 -0.435 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@@H](C)NC(=O)CC)CC1 733149459 HBDOLABYVJZIBM-CYBMUJFWSA-N 322.409 -0.815 30 20 DBED N#CCN(CC(=O)O)C(=O)CCCS(=O)(=O)N1CCCC1 739077280 KYKKULGQANBZST-UHFFFAOYSA-N 317.367 -0.371 30 20 DBED CCN(CCC#N)C(=O)COC(=O)[C@@H](C)CS(C)(=O)=O 747075468 LJUXZOPKXBKZSH-JTQLQIEISA-N 304.368 -0.028 30 20 DBED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)Cn2cnnn2)C1 756921892 YHJRALSRLOVRDZ-VHSXEESVSA-N 321.341 -0.452 30 20 DBED CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)OCC(=O)NCCC#N 770101301 CXIXPNMLROGELY-SNVBAGLBSA-N 319.383 -0.477 30 20 DBED C#C[C@@H](NCC(=O)N1CCN(C(=O)C2CC2)CC1)[C@H]1CCCO1 775802077 XWZKJEKCRDZEBH-HUUCEWRRSA-N 319.405 -0.162 30 20 DBED C#CCOCCNC(=O)N1CCN(CC(=O)N2CCCC2)CC1 784549459 JLPLXDRXJIRILE-UHFFFAOYSA-N 322.409 -0.414 30 20 DBED C=CCN1CC[C@@H](N(C)CN2C[C@@H](C(=O)OC)CC2=O)C1=O 799142271 OOKJIFXMSMSXJM-NWDGAFQWSA-N 309.366 -0.316 30 20 DBED Cn1nnc2c(C(=O)NS(=O)(=O)CC(C)(C)C#N)ccnc21 802127063 IATRRJIAMUIZQC-UHFFFAOYSA-N 322.350 -0.027 30 20 DBED CON=CC(=O)N1CCN(C[C@@H]2CCCS2(=O)=O)CC1 824495509 LMKSXRPEWJRXLZ-NSHDSACASA-N 303.384 -0.660 30 20 DBED C[C@@H]1CC(=NC(=O)CNc2ccc(-c3nn[nH]n3)cn2)NO1 824883328 GMICISKAUDQIFP-SSDOTTSWSA-N 302.298 -0.088 30 20 DBED CCS(=O)(=O)NCCCn1cc(C(=O)O)cc(C#N)c1=O 833665190 AUGROMZORURNFB-UHFFFAOYSA-N 313.335 -0.252 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)NCCCC)CC1 872515567 QNFBDQPXFBZDEF-UHFFFAOYSA-N 302.400 -0.419 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)NCCC1(C)OCCO1 875221967 XHPDIDWDSZNIHY-LBPRGKRZSA-N 312.366 -0.200 30 20 DBED CN(C)S(=O)(=O)CCS(=O)(=O)N1CCC[C@@](C)(C#N)C1 882060544 QQHJQRHFONSRCI-NSHDSACASA-N 323.440 -0.167 30 20 DBED C#CCN1CCC[C@H](NC(=O)NC[C@@H]2CCCS2(=O)=O)C1 884226642 XULUOKNPBYGOKN-STQMWFEESA-N 313.423 -0.040 30 20 DBED C=CCCn1cc(C(=O)N[C@H](CO)Cc2cnn(C)c2)nn1 911119621 CKOHTYCOWCKSBU-LBPRGKRZSA-N 304.354 -0.079 30 20 DBED C#CC1(O)CN(Cc2nnc3n(C)c(=O)c4sccc4n23)C1 934449132 OXZDLRKCQRDSHJ-UHFFFAOYSA-N 315.358 -0.177 30 20 DBED CN1C[C@H](C(=O)N[C@H]2CCN(C(=O)C#CC3CC3)C2)CCC1=O 938099130 QMAWVGPYUCBKKA-KGLIPLIRSA-N 317.389 -0.015 30 20 DBED COc1c(C(=O)N[C@H]2CCN(C(=O)[C@@H](C)C#N)C2)cnn1C 938390136 MMDWIKFRWUKPSU-UWVGGRQHSA-N 305.338 -0.081 30 20 DBED C#CCN1CCC(C(=O)N2CCO[C@@H](CNC(C)=O)C2)CC1 944430750 YVAOAAOGEFJYEK-HNNXBMFYSA-N 307.394 -0.305 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CNC(=O)c2ncn(C)n2)CC1 949390661 JJMVTCHXQUYHCV-JTQLQIEISA-N 304.354 -0.057 30 20 DBED N#CCN1CCOC2(CCN(C(=O)Cc3nc[nH]n3)CC2)C1 949508989 JNVBWFSSSYYGME-UHFFFAOYSA-N 304.354 -0.436 30 20 DBED CN(C(=O)c1ccc(C#N)[nH]1)C1CN(C(=O)[C@H]2CCNC2=O)C1 954073873 VKYNQCPUXNDJHQ-NSHDSACASA-N 315.333 -0.695 30 20 DBED C[C@H](C#N)C(=O)N1CC(N(C)C(=O)C[C@H]2CCN(C)C2=O)C1 954532373 CJMQHOUSDVTLGM-GHMZBOCLSA-N 306.366 -0.316 30 20 DBED CN(C(=O)CN1CCCNC1=O)C1CN(C(=O)C#CC2CC2)C1 954735835 UTQGBYKJGLNCJI-UHFFFAOYSA-N 318.377 -0.516 30 20 DBED C#CCN1C[C@H](CNC(=O)c2ncn(C(C)(C)C)n2)[C@@H](O)C1 958400424 UQURWBWSRQBRSO-RYUDHWBXSA-N 305.382 -0.311 30 20 DBED C=CCN1CC[C@H](N2C[C@@H]3C(NC(=O)c4ncc[nH]4)[C@H]3C2)C1=O 958808895 QDTXJOIJTVDZEQ-SRVKXCTJSA-N 315.377 -0.143 30 20 DBED C=CCn1cc(C(=O)N(C)[C@H]2CN(C(=O)CCC)C[C@@H]2O)nn1 958849451 QZAVEQAANRVISB-STQMWFEESA-N 321.381 -0.092 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H]2CN(C(=O)C(C)(C)C(N)=O)C[C@@H]21 960873213 ADPVZZHUWUIKRU-GARJFASQSA-N 322.365 -0.904 30 20 DBED Cn1ccc(C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2O)c1 962256720 JDZNEMXZPHLOCN-KGLIPLIRSA-N 301.346 -0.260 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)COC)C[C@@H]2O)nc1 969336346 MACWCZPKKASXGJ-OLZOCXBDSA-N 303.318 -0.989 30 20 DBED N#CCN1C[C@H]2CC[C@H]1CN2C(=O)CC[C@@H]1NC(=O)NC1=O 972091670 QHAOFZHSFRJWJO-AXFHLTTASA-N 305.338 -0.827 30 20 DBED CNC(=O)CN1C[C@H]2[C@H](CNC(=O)c3cc(C#N)c[nH]3)[C@H]2C1 977951719 GMUVRAMURNKMTF-CNDDSTCGSA-N 301.350 -0.460 30 20 DBED CN(C[C@@H]1CCN1C(=O)C#CC1CC1)C(=O)[C@@H]1CCC(=O)N1 978103746 KNOKKSDTNSODSE-STQMWFEESA-N 303.362 -0.262 30 20 DBED C#CCN[C@@H]1CCC[C@H](NC(=O)CN2C(=O)CN(C)C2=O)C1 981506611 PSOLALQCAGACNG-NEPJUHHUSA-N 306.366 -0.469 30 20 DBED CN1C(=O)CC[C@H]1C(=O)N1CC(NC(=O)c2c[nH]c(C#N)c2)C1 990928868 LVLHHVMRAVQEAM-LBPRGKRZSA-N 315.333 -0.552 30 20 DBED C=CC(C)(C)C(=O)N1CC(NC(=O)CC2CS(=O)(=O)C2)C1 994972747 SWHULNACIBHGFB-UHFFFAOYSA-N 314.407 -0.040 30 20 DBED CC1(C)CN(C(=O)c2nccnc2C(N)=O)C[C@@H]1NCC#N 996584305 KQSOIMNBHCLIMG-VIFPVBQESA-N 302.338 -0.461 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cn1 997090249 MLYFMVBNJSSNOV-CHWSQXEVSA-N 314.301 -0.331 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC(NC(=O)[C@H]3CC[C@H]3C(N)=O)C2)c1 997406206 QMWTZUBMYJCTGD-MNOVXSKESA-N 315.333 -0.662 30 20 DBED C=CC(C)(C)C(=O)N1CC(NC(=O)CN2CCC(=O)NC2=O)C1 999671710 ADCWGUUTFVAHFT-UHFFFAOYSA-N 322.365 -0.533 30 20 DBED C#CCCN1CCC(N(C)C(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 1006070203 KJEXNNDMKKUPSM-LBPRGKRZSA-N 306.366 -0.469 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](CNC(=O)c3cc(=O)n(C)o3)[C@H]2C1 1009004089 RHPDZYZYUSPJMX-XWLWVQCSSA-N 318.333 -0.428 30 20 DBED C=C(C)C(C)(C)C(=O)N1CCN(C(=O)Cn2ncnn2)CC1 1011176333 AROBYPVXNZDZJX-UHFFFAOYSA-N 306.370 -0.054 30 20 DBED N#CCN1CC[C@H](NC(=O)[C@H]2COCCN2CC(F)F)C1 1015395210 BYCZKEXSUPQNDD-WDEREUQCSA-N 302.325 -0.334 30 20 DBED C[C@@H](N[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1)c1nnnn1C 1018738672 VCLCFKVYSYTTQV-KOLCDFICSA-N 314.353 -0.025 30 20 DBED C=CCN1CC[C@@H](N[C@H]2CCN(C(=O)c3[nH]nnc3C)C2)C1=O 1019224174 FORXJJBFEACCJJ-NWDGAFQWSA-N 318.381 -0.296 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(C1)CN(C(=O)C1(C(N)=O)CC1)C2 1019353832 BYZIKXNODAOHST-JTQLQIEISA-N 304.350 -0.528 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CN(C(=O)c3ccon3)C[C@H]2O)c1 1023328073 WAVXSODKPJPZPL-VXGBXAGGSA-N 315.289 -0.510 30 20 DBED N#CCN1CCC[C@H](CNC(=O)[C@H]2CCS(=O)(=O)N2)C1 1023753784 OOXUWFQQMXIIDU-GHMZBOCLSA-N 300.384 -0.970 30 20 DBED CC#CCN1CCCC[C@H]1CNC(=O)c1nnc(O)nc1O 1024533371 VITGBKXKDUSGDK-JTQLQIEISA-N 305.338 -0.110 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccon2)C[C@H]1O 1025709070 FMEBJLJBECCSNC-JHEVNIALSA-N 321.333 -0.433 30 20 DBED O=C1CC[C@@H](NC[C@@H]2CCN(C(=O)C#CC3CC3)C2)C(=O)N1 1026835390 WPYKUPPZAULPDD-QWHCGFSZSA-N 303.362 -0.357 30 20 DBED C=CCCn1cc(C(=O)NC[C@@H]2CCN(CC(=O)NC)C2)nn1 1028855086 SXXAFULEQFJYBC-LBPRGKRZSA-N 320.397 -0.348 30 20 DBED CC#CCN1CC[C@@H](CNC(=O)[C@H]2COCCN2C(C)=O)C1 1028994420 SBECNTYDNRMBLN-LSDHHAIUSA-N 307.394 -0.305 30 20 DBED C#CCCN1[C@H]2CC[C@H]1CN(C(=O)CN1C(=O)CCC1=O)C2 1029578171 UTBPRTBEEPKVPB-STQMWFEESA-N 303.362 -0.166 30 20 DBED N#CCN1CC(CNC(=O)[C@H]2COCCN2CC(F)F)C1 1031876521 VYKBHVJRBQXAJH-LLVKDONJSA-N 302.325 -0.476 30 20 DBED Cc1nn(C)c(=O)c(C(=O)N2C[C@@H]3C[C@H]2CN3CC#N)c1C 1032553055 KWSWSUHPZPIXTP-RYUDHWBXSA-N 301.350 -0.181 30 20 DBED C[C@@H]1CN(C(=O)CCc2nnc(O)nc2O)CC[C@H]1NCC#N 1036096260 IGNLOQVJBCBCFJ-NXEZZACHSA-N 320.353 -0.434 30 20 DBED C=C(Cl)CN1C[C@H]2C[C@H]1[C@@H]2NC(=O)Cn1ncn(C)c1=O 1037475906 MPQHELGDYGKILN-JFGNBEQYSA-N 311.773 -0.477 30 20 DBED C#CCCCC(=O)NC[C@]1(O)CCN(C(=O)c2ncn(C)n2)C1 1039573516 HWQMPTUTULNMHC-OAHLLOKOSA-N 319.365 -0.688 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@]1(O)CCN(C(=O)c2cnco2)C1 1039579797 KGLYEYIFBHVATN-HUUCEWRRSA-N 323.349 -0.305 30 20 DBED CC(C)C#CC(=O)NC[C@]1(O)CCN(C(=O)c2cn(C)cn2)C1 1039664497 REOQTBWRAIWBJS-MRXNPFEDSA-N 318.377 -0.227 30 20 DBED Cn1nncc1C(=O)N1CC[C@H]2CN(c3cnc(C#N)cn3)C[C@H]21 1040603380 NILLCCCCNMHYEW-GXFFZTMASA-N 324.348 -0.172 30 20 DBED C[C@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)Cc2cccnc2)C1 1040759620 BVVZODPABMWIRY-WBMJQRKESA-N 316.361 -0.137 30 20 DBED C[C@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)C2=CCOCC2)C1 1040763776 RKGSTOORBIYBJI-IAQYHMDHSA-N 307.350 -0.428 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)c3ccccn3)C2)nn1 1040909096 AFFQAXUADUOKRH-CHWSQXEVSA-N 310.317 -0.277 30 20 DBED Cc1ocnc1C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1O 1040927986 CNSHMCXMKYBKEB-GHMZBOCLSA-N 314.305 -0.376 30 20 DBED Cc1cc(C#N)nc(N2C[C@@H](O)[C@H](NC(=O)c3cc[nH]c3)C2)n1 1041390999 SJIJFFPZHTWMQB-CHWSQXEVSA-N 312.333 -0.036 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2ncoc2C)C1 1041818634 RMRWLPFJAUSZAI-NSHDSACASA-N 321.333 -0.676 30 20 DBED C#CCN1CC[C@H]2CCN(C(=O)c3cn(C)c(=O)nc3O)C[C@H]21 1042355406 YDVGSHRWTNDZML-WCQYABFASA-N 316.361 -0.345 30 20 DBED C#CCCCCC(=O)NCC1(O)CN(C(=O)c2ncc[nH]2)C1 1042654880 CRALPVZBIYUBJD-UHFFFAOYSA-N 304.350 -0.094 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)[C@@H](C)OCC#C)C1 1042801956 ZXERYTNFLJSNSI-CYBMUJFWSA-N 306.362 -0.482 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(O)CN(C(=O)c2coc(C)n2)C1 1042806769 JJLLCUOPGOLMKH-CQSZACIVSA-N 323.349 -0.387 30 20 DBED Cc1nn[nH]c1C(=O)N1CC(O)(CNC(=O)C#CC(C)C)C1 1042943567 SRDWQLIFGZZFJG-UHFFFAOYSA-N 305.338 -0.924 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)C#CC(C)C)C1 1042943905 ZPIVPTBJGZKEGR-ZDUSSCGKSA-N 308.378 -0.074 30 20 DBED CN1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)C#CC(C)(C)C)C1 1042965611 DNUHYVKVPXWJRT-CYBMUJFWSA-N 321.421 -0.180 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)[C@]2(C)CCOC2)C1 1043032884 LFMKWBRKEPNRAS-OAHLLOKOSA-N 324.377 -0.858 30 20 DBED C=CCC(C)(C)C(=O)NCC1(O)CN(C(=O)[C@@H]2CCC(=O)N2)C1 1043061717 NDVBBKNTKJUJOC-NSHDSACASA-N 323.393 -0.443 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)c2c(C)ncn2C)C1 1043480013 UZWLGELODKBXSJ-UHFFFAOYSA-N 306.366 -0.002 30 20 DBED C[C@@H]1C[C@@H](C(=O)NCC2(O)CN(C(=O)C#CC3CC3)C2)CO1 1043622303 BOEFZRMOFVSZDQ-DGCLKSJQSA-N 306.362 -0.486 30 20 DBED C[C@H]1C[C@@H](NCC#N)CCN1C(=O)CN1CCCS1(=O)=O 1044621928 CRZIRMPIOZLOOT-RYUDHWBXSA-N 314.411 -0.485 30 20 DBED COCCC[C@@H](C)C(=O)N1CC(O)(CNC(=O)[C@H](C)C#N)C1 1045550908 BPIKCTLTUXZNJR-VXGBXAGGSA-N 311.382 -0.102 30 20 DBED CC#CCN1CC[C@H](N2CCN(C(=O)[C@H]3COCCO3)CC2)C1 1046009074 LWQQOOBXJWTKFD-JKSUJKDBSA-N 321.421 -0.356 30 20 DBED C#CCN1CC[C@@H](N2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 1046010761 UHMLBPIQEKVMBR-HZPDHXFCSA-N 304.438 -0.068 30 20 DBED C=CCN1CC[C@H](N2CCN(C(=O)[C@@H]3COC(=O)N3)CC2)C1 1046027429 MBYPEBRTMOKSCZ-STQMWFEESA-N 308.382 -0.501 30 20 DBED C#CCCN1CC[C@](C)(NC(=O)[C@H]2CN(C(C)=O)CCO2)C1 1046815204 QAMFOZQUIGSHCZ-ZBFHGGJFSA-N 307.394 -0.162 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2COCCN2CCCC)C1 1047469858 AALCECGBQGQAPO-JYJNAYRXSA-N 323.437 -0.376 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCNC(=O)C2)C1 1048678888 YULYGGSMFVPVHZ-AGIUHOORSA-N 323.393 -0.491 30 20 DBED C=CC(C)(C)C(=O)N(C)[C@H]1CN(C(=O)CNC(C)=O)C[C@@H]1O 1049168443 LNFOUBCHGWFRAR-RYUDHWBXSA-N 311.382 -0.635 30 20 DBED C#CCCN1C[C@H]2CN(C(=O)c3ccc(=O)n(C)n3)C[C@H]2C1 1049203238 XUGZKYGOOJXRSS-BETUJISGSA-N 300.362 -0.193 30 20 DBED CCOCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)C#N)C1 1049388540 NEGZYDHCKOHXGB-AGIUHOORSA-N 311.382 -0.007 30 20 DBED CN1C[C@H](C(=O)N2CC[C@@H](N3CCN(CC#N)CC3)C2)CC1=O 1052036057 YICHQQVDKRBQQE-ZIAGYGMSSA-N 319.409 -0.793 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1C 1052670071 XCGUGKKVSUVSIE-VXGBXAGGSA-N 306.370 -0.150 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC2(C1)CN([C@@H]1CCCN(C)C1=O)C2 1053191403 QCGCZLSJAFSQQE-QWHCGFSZSA-N 320.393 -0.320 30 20 DBED C=CCCN1CC2(C[C@@H](NC(=O)c3cn(C)c(=O)cn3)CO2)C1 1053875072 RLRRYGJGDYQGME-GFCCVEGCSA-N 318.377 -0.071 30 20 DBED C[C@@H](C#N)C(=O)NC1CCN(CCNC(=O)c2nc[nH]n2)CC1 1055613720 KIUPTLYJTZWIIZ-JTQLQIEISA-N 319.369 -0.725 30 20 DBED Cc1c[nH]c(C(=O)N[C@]2(CO)CCCN(C(=O)[C@H](C)C#N)C2)n1 1055963572 SPRMJXCNFQPOKC-MEBBXXQBSA-N 319.365 -0.039 30 20 DBED N#Cc1cnccc1N1C[C@@H]2C(NC(=O)[C@H]3CCC(=O)N3)[C@H]2C1 1056147719 QLXIGKQLXHFFGM-SDDRHHMPSA-N 311.345 -0.217 30 20 DBED N#Cc1cnc(N2C[C@H]3C(NC(=O)Cn4cncn4)[C@@H]3C2)cn1 1056218335 VIDJFCWTKOOPFN-GHMZBOCLSA-N 310.321 -0.809 30 20 DBED Cc1cc(C#N)nc(N2C[C@@H]3C(NC(=O)c4cnn[nH]4)[C@H]3C2)n1 1056469926 DCINURMICJBGIQ-UWVGGRQHSA-N 310.321 -0.361 30 20 DBED N#Cc1nc(=N[C@@H]2CCN(C(=O)[C@@H]3COCCO3)C2)cc[nH]1 1056557085 QTJZDOXBPFOEIK-MNOVXSKESA-N 303.322 -0.802 30 20 DBED Cc1nonc1CC(=O)N1CC[C@@H](N=c2cc[nH]c(C#N)n2)C1 1056692721 MULARJDYAJSZFF-SNVBAGLBSA-N 313.321 -0.283 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 1056764432 VPBVARCCTOWYAV-ZYHUDNBSSA-N 300.322 -0.931 30 20 DBED N#Cc1nccc(N2CCCN(C(=O)[C@H]3COC(=O)N3)CC2)n1 1057132318 DFMKONNZLVACFR-SNVBAGLBSA-N 316.321 -0.505 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)C1=COCCC1 1057175228 ZINGQAXQYIBCCA-UHFFFAOYSA-N 312.366 -0.180 30 20 DBED N#Cc1ccc(N2CCCN(C(=O)C(N)=O)CC2)c([N+](=O)[O-])c1 1057222145 DPUNIUAGFCXKRR-UHFFFAOYSA-N 317.305 -0.010 30 20 DBED C#CCOCCC(=O)N(CCO)CCNC(=O)c1cc(C)on1 1057579903 UETRBAUEITWYOX-UHFFFAOYSA-N 323.349 -0.426 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)C1CCN(C)CC1 1057991753 LBRUVULHQBJSSV-LBPRGKRZSA-N 310.398 -0.575 30 20 DBED N#Cc1nccc(N2CCC[C@@H](NC(=O)[C@@H]3CCC(=O)N3)C2)n1 1058180220 DAODCNQGCAASBS-MNOVXSKESA-N 314.349 -0.288 30 20 DBED C[C@H]1OCC[C@H]1C(=O)N(CCO)CCNC(=O)C#CC1CC1 1058552648 NZOITJMITREWJX-TZMCWYRMSA-N 308.378 -0.238 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)CCc1cnn[nH]1 1058870798 PLWKKIPTYMXCHE-UHFFFAOYSA-N 321.381 -0.666 30 20 DBED C=CCOCC(=O)N1CC[C@H](CCNC(=O)c2cn(C)nn2)C1 1059334628 HRBSZVURIJIHMK-LBPRGKRZSA-N 321.381 -0.014 30 20 DBED C[C@@]1(C(=O)N[C@H]2C[C@H](Nc3ccc(C#N)nn3)C2)CCNC1=O 1059410253 UWVDKMZJWDLNDM-UEKVPHQBSA-N 314.349 -0.066 30 20 DBED Cc1cc(C#N)nc(N[C@H]2C[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)n1 1059823628 SZVHOHGXQMRYAF-DMWPJOQESA-N 314.349 -0.163 30 20 DBED N#Cc1cnc(N[C@@H]2CC[C@H]3CN(C(=O)C(N)=O)C[C@@H]32)cn1 1060552373 DTWYGGOLGVTASN-INTQDDNPSA-N 300.322 -0.518 30 20 DBED N#Cc1nccnc1NC[C@H]1CCN(C(=O)Cn2nccn2)C1 1060925097 BWKRDWOGCZSWFC-LLVKDONJSA-N 312.337 -0.100 30 20 DBED C=CCCC(=O)NC[C@@H]1COCCN1C(=O)c1cn(C)nn1 1061406204 IJTQUCQELPMPEB-LLVKDONJSA-N 307.354 -0.262 30 20 DBED C#CCOCCC(=O)NC[C@H]1COCCN1C(=O)[C@H]1CCOC1 1061581809 UTVMBCLUEJQZQZ-KBPBESRZSA-N 324.377 -0.594 30 20 DBED CC#CCCCC(=O)NC[C@H]1COCCN1C(=O)c1cnn[nH]1 1061790945 TVURYQSPBFVQTE-LBPRGKRZSA-N 319.365 -0.045 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)c1n[nH]cc1F 1061852914 OEUQNYCNLPZIEX-IUCAKERBSA-N 309.301 -0.334 30 20 DBED CN(C(=O)c1nnn(C)n1)[C@H]1CCN(c2ccnc(C#N)n2)C1 1063013644 WRIZCFCCNWKAPK-VIFPVBQESA-N 313.325 -0.777 30 20 DBED N#CCSCC(=O)NC1(CNC(=O)[C@H]2CCNC2=O)CCC1 1063906376 CLCBOJUUXQSYBF-JTQLQIEISA-N 324.406 -0.466 30 20 DBED C[C@@H]1CCCN(C(=O)C(N)=O)[C@@H]1CNc1cnc(C#N)cn1 1063957003 NUTUZKOXTKMNAN-MWLCHTKSSA-N 302.338 -0.127 30 20 DBED Cn1ncc(C(=O)N[C@H]2[C@H]3C[C@H]2N(c2cncc(C#N)n2)C3)c1N 1064245007 HZZDKDSFIUGZRD-KDDOJWQBSA-N 324.348 -0.329 30 20 DBED Cc1cc(C(=O)N2CCO[C@@H](CNC(=O)[C@H](C)C#N)C2)n[nH]1 1064912611 BOHBPNJUCCUSRE-KOLCDFICSA-N 305.338 -0.165 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)[C@H](C)NC(N)=O)CCO1 1065084296 XOSUGEPWSLGYDW-NWDGAFQWSA-N 324.381 -0.810 30 20 DBED CCc1nc(C#N)cc(N[C@@H]2CN(C(=O)C(N)=O)C[C@@H]2C)n1 1067190531 AUXORSSPIGKWIH-WCBMZHEXSA-N 302.338 -0.345 30 20 DBED C[C@@H]1C[C@H](Nc2cnc(C#N)cn2)CN1C(=O)c1nnn(C)n1 1069178302 MHTRNJUFJVKSIO-BDAKNGLRSA-N 313.325 -0.413 30 20 DBED Cc1cc(=NC[C@H]2CC[C@@H](NC(=O)C(N)=O)C2)c(C#N)c[nH]1 1069505696 QIIFDMIHGNEOTQ-CMPLNLGQSA-N 301.350 -0.134 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H]2CCN(C)C2=O)C1 1069997776 VYASYUHQVDCURL-XQQFMLRXSA-N 318.381 -0.716 30 20 DBED C[C@H](O)CN[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1n1ccnn1 1070192942 XPHDLDDMPXCFBV-YUTCNCBUSA-N 303.366 -0.586 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CCCN(C(=O)CN(C)C(C)=O)C1 1070456719 FLWXKNQVOVGOSY-TZMCWYRMSA-N 323.393 -0.390 30 20 DBED C=CCN1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)C(N)=O)n1 1070605618 RZTMRTGOVFGSHU-WDEREUQCSA-N 307.354 -0.418 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1 1070633542 LSDSTCJRUPEDEX-LLVKDONJSA-N 317.349 -0.257 30 20 DBED Cc1cc(C(=O)N2CCC(=O)NCCN(CC#N)CC2)cnn1 1070958508 DJOPRMGXQQVXBJ-UHFFFAOYSA-N 316.365 -0.427 30 20 DBED C=CCCN1CCNC(=O)CCN(C(=O)c2cnn[nH]2)CC1 1070976865 SDYMSBPBQBHIKG-UHFFFAOYSA-N 306.370 -0.355 30 20 DBED C#CCO[C@@H](C)C(=O)NC1(C)CCN(C(=O)CC(N)=O)CC1 1072915947 SEUVYIPMSOCZHK-NSHDSACASA-N 309.366 -0.603 30 20 DBED C#CCCCC(=O)N1CC[C@@H](NC(=O)Cn2cnnn2)[C@@H](C)C1 1073691308 BLHXGPFQNSHWNW-QWHCGFSZSA-N 318.381 -0.170 30 20 DBED C=CCN1CCO[C@@H]2CCN(C(=O)C3CC(=O)NC(=O)C3)C[C@@H]21 1074357356 ZCWNPMGRDGJGLV-QWHCGFSZSA-N 321.377 -0.473 30 20 DBED C=CCCC(=O)N1CCC(O)(CNC(=O)c2nnn(C)n2)CC1 1074511267 BDGUEJUPNDRNJK-UHFFFAOYSA-N 322.369 -0.740 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2c[nH]nc2-c2ccoc2)C1 1077436641 QUGUZBLDCBOVHB-VXGBXAGGSA-N 301.306 -0.032 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2ccc(CNC(C)=O)o2)C1 1077848566 FAGHXLLIDVEHQO-CHWSQXEVSA-N 305.334 -0.676 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)c2ccc(C(=O)NC)nc2)C1 1078021552 DPVWHUBWPVBTSZ-CHWSQXEVSA-N 304.350 -0.598 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)CCCN(C)C 1078083426 BTYLURLPYGCKNF-ZDUSSCGKSA-N 324.425 -0.521 30 20 DBED C[C@@H](CCNC(=O)[C@H](C)C#N)NC(=O)c1cccc(C(N)=O)n1 1078135281 VMBKLPCOUQZIRJ-ZJUUUORDSA-N 317.349 -0.035 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)c2c(C)nn3cccnc23)C1 1078196557 GYKYUSMGJFPXFS-VXGBXAGGSA-N 301.350 -0.001 30 20 DBED C#CCN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)Cn1c(O)nnc1O)C2 1079094301 GNKHBCPTFPBUBQ-GMTAPVOTSA-N 305.338 -0.708 30 20 DBED C#CCOCCC(=O)N1CC(N(CC)C(=O)[C@@H](C)NC(C)=O)C1 1079266890 GMPBRYIPEDSONE-GFCCVEGCSA-N 323.393 -0.390 30 20 DBED CCN(C(=O)CSCC#N)C1CN(C(=O)c2nc[nH]n2)C1 1079341861 QGIIPDCGNIHTKG-UHFFFAOYSA-N 308.367 -0.266 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)Cc2cc[nH]n2)C[C@@H]1O 1081442920 ZUVQHJNITUFOFY-OCCSQVGLSA-N 318.377 -0.309 30 20 DBED Cc1n[nH]cc1C(=O)N1C[C@@H](O)[C@H](CNC(=O)C#CC(C)C)C1 1081463847 SNPXTSDBSYPYAF-TZMCWYRMSA-N 318.377 -0.073 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cc2n(n1)CCO2 1083107016 IQERLJDQWVEEFO-QWHCGFSZSA-N 302.334 -0.566 30 20 DBED CN(C)Cc1cc(C(=O)N2CCO[C@@H]3CN(CC#N)C[C@@H]32)no1 1083126659 CCWRUWNHXYBBBH-UONOGXRCSA-N 319.365 -0.215 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1ccc(=O)n(C)c1 1083129985 PTCFTTZOLAQLRV-LSDHHAIUSA-N 315.373 -0.066 30 20 DBED Cn1cc(C(=O)N[C@@H]2CN(CC#N)C[C@@H]2O)c(C2CCC2)n1 1083581648 FELITYJCGTXPLK-OLZOCXBDSA-N 303.366 -0.014 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCc3nncn3CC2)C1 1083652990 PTECJKCBIXYCRY-MJBXVCDLSA-N 319.409 -0.032 30 20 DBED C=CCN[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)C[C@H]1c1cnn(C)c1 1087006783 WHMJCZNEAHXAMH-MELADBBJSA-N 317.393 -0.231 30 20 DBED Cc1nc(C(=O)N[C@@H]2CCN(CC#N)C[C@H]2O)c(=O)[nH]c1C 1090356742 YCNLDSVWLWKTED-GHMZBOCLSA-N 305.338 -0.925 30 20 DBED COc1nc(C)cc(N2C[C@@H](O)[C@H](NC(=O)C#CC3CC3)C2)n1 1090413385 QOYSAIWQDSHIME-CHWSQXEVSA-N 316.361 -0.127 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2ccc(C(N)=O)nc2)[C@@H](O)C1 1090852224 OQJPAQVVOABSTH-JSGCOSHPSA-N 316.361 -0.631 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(c2cc(F)ncn2)C[C@@H]1O 1091152775 HVAVCDYXEHTKRA-AXFHLTTASA-N 308.313 -0.680 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)c3nc[nH]n3)c3nccn32)C1 1092403834 JDGJXNMXPNPXND-LLVKDONJSA-N 311.349 -0.090 30 20 DBED CNC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(C#N)nn1 1092820129 ADHZONHBSRHUSR-WOPDTQHZSA-N 314.349 -0.290 30 20 DBED CCc1nc(C#N)cc(NCCNC(=O)CS(C)(=O)=O)n1 1093502220 SCNPEAIBNCYPSC-UHFFFAOYSA-N 311.367 -0.517 30 20 DBED CC(C)CCC(=O)NCC(=O)NCCN=c1cc[nH]c(C#N)n1 1093739093 PUAITKAJNVHIEM-UHFFFAOYSA-N 318.381 -0.149 30 20 DBED CN1CCOC[C@H]1C(=O)NCCCN=c1cc[nH]cc1C#N 1094395086 AHIBHYUZZATINS-AWEZNQCLSA-N 303.366 -0.376 30 20 DBED Cc1cc[nH]c1C(=O)N1CCN(CC#N)[C@H]2CS(=O)(=O)C[C@H]21 1094630037 VPHDQZAKAXFZNY-NWDGAFQWSA-N 322.390 -0.230 30 20 DBED C#CCN1CCN(C(=O)c2cc[nH]c2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094635282 XCHOLWIVYIPVKJ-QWHCGFSZSA-N 307.375 -0.429 30 20 DBED CN1CC[C@@H](CC(=O)N[C@@H]2CC(=O)N(C3CN(CC#N)C3)C2)C1 1094809763 PNPHMLBHODTOHP-QWHCGFSZSA-N 319.409 -0.747 30 20 DBED C#CCNC(=O)CC(=O)N1CCCN(c2ncc(F)cn2)CC1 1095175288 ABLFJBXVEAQUBJ-UHFFFAOYSA-N 319.340 -0.206 30 20 DBED C#CCNC(=O)CC(=O)NCCCN(C)c1ncc(F)cn1 1095523442 JCTFKHGCYJYWCU-UHFFFAOYSA-N 307.329 -0.302 30 20 DBED CN(CCCNC(=O)CCn1ccnn1)c1ccc(C#N)nn1 1095535259 FGUHGTWDUQLSKE-UHFFFAOYSA-N 314.353 -0.027 30 20 DBED CN(CCCNC(=O)[C@H]1CC[C@@H]1C(N)=O)c1ccnc(C#N)n1 1095696445 AXLPUTUFXOYXSD-QWRGUYRKSA-N 316.365 -0.198 30 20 DBED N#Cc1nccnc1N1CC[C@H](NC(=O)CO[C@H]2CCOC2)C1 1096439762 NLBFIJMXZGXURI-RYUDHWBXSA-N 317.349 -0.151 30 20 DBED N#Cc1nccnc1N1CC[C@H](NC(=O)C(=O)NCC(F)F)C1 1096446963 ZKQZINJVZZSURL-QMMMGPOBSA-N 324.291 -0.576 30 20 DBED Cc1cc(=N[C@@H](CNC(=O)CC(N)=O)C2CC2)c(C#N)c[nH]1 1096628244 UQPBIXVVASTGHM-ZDUSSCGKSA-N 301.350 -0.134 30 20 DBED CCS(=O)(=O)CC(=O)NC[C@@H](C)Nc1cncc(C#N)n1 1097900690 VDSMFOITTRAUDC-SECBINFHSA-N 311.367 -0.300 30 20 DBED C#CCN(CCO)C1CCN(C(=O)c2cnn(CC)n2)CC1 1098361321 BNWGDGHXDNIRFH-UHFFFAOYSA-N 305.382 -0.170 30 20 DBED C=CCOCCNCc1cn([C@H]2CCN(C(=O)COC)C2)nn1 1098586999 RSXHLZCEWUZPLX-AWEZNQCLSA-N 323.397 -0.010 30 20 DBED CC(C)(C)C#CC(=O)N[C@H]1CCN(CC(=O)NC2CC2)C[C@H]1O 1099830822 YPSYOGPZZJCTFH-UONOGXRCSA-N 321.421 -0.134 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CNC(=O)C2CCCC2)[C@H](O)C1 1099848164 SMYNPFMDXCLYPF-HUUCEWRRSA-N 321.421 -0.133 30 20 DBED Cc1cc(C#N)nc(N(C)CCNC(=O)CCn2cncn2)n1 1099934329 LSGIZAJIDOHHCP-UHFFFAOYSA-N 314.353 -0.109 30 20 DBED C=CCOCCNC1CC(CNC(=O)CCn2cnnn2)C1 1100784268 RWTONSXYAPDRQQ-UHFFFAOYSA-N 308.386 -0.250 30 20 DBED CCC(=O)NCC(=O)NC[C@@H]1CCCN1c1ccnc(C#N)n1 1100809458 CZUFTCOLHJEKMW-NSHDSACASA-N 316.365 -0.041 30 20 DBED CN(CCNc1cncc(C#N)n1)C(=O)CCc1nc[nH]n1 1101553471 WRGYTURZBBBQHP-UHFFFAOYSA-N 300.326 -0.031 30 20 DBED CN(CCN=c1cc[nH]cc1C#N)C(=O)[C@]1(C)CNC(=O)C1 1101876786 DKSSZBDRGWVZQF-HNNXBMFYSA-N 301.350 -0.228 30 20 DBED CC(=O)N[C@H](C)C(=O)N(C)[C@H]1CCN(c2ccc(C#N)nn2)C1 1102668804 UIGWFPNBJNEIMW-MFKMUULPSA-N 316.365 -0.090 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CCN(c2ncnc3c2nnn3C)C1 1102701834 JFKISVGTOJSYRP-ZJUUUORDSA-N 314.353 -0.045 30 20 DBED CO[C@@H](C(=O)N1CC(n2cc(CNCC#N)nn2)C1)C(C)C 1105317284 QKFCFFIWYRLYCB-CYBMUJFWSA-N 306.370 -0.054 30 20 DBED N#Cc1cnc(NC[C@@H]2CCC[C@@H]2NC(=O)CC(N)=O)cn1 1105653209 YKBJLSTZRRJQIF-ONGXEEELSA-N 302.338 -0.080 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)CCc2nc[nH]n2)nc1 1105784344 GNGWXIFUNVFETP-LLVKDONJSA-N 315.337 -0.407 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@H](O)CNc1nccnc1C#N 1105806223 SIGWMBWNVVWAGR-YGRLFVJLSA-N 305.338 -0.436 30 20 DBED Cc1cc(C(=O)NC[C@@H](O)CNc2nccnc2C#N)cnn1 1105813145 LCODJGBLIQYTFV-NSHDSACASA-N 313.321 -0.351 30 20 DBED Cc1cn(C)nc1C(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1 1105819070 TVYJKFHCEJZTEW-JTQLQIEISA-N 315.337 -0.985 30 20 DBED Cn1cncc1CC(=O)NC[C@H](O)CNc1nccnc1C#N 1105914318 UEDJUWYWDBHTSM-NSHDSACASA-N 315.337 -0.787 30 20 DBED C[C@]1(C(=O)NC[C@H](O)CNc2cnc(C#N)cn2)CCOC1 1105939389 QDJQDIJHDDOROV-RISCZKNCSA-N 305.338 -0.336 30 20 DBED COCCCOCC(=O)NC[C@@H](O)CNc1ncccc1C#N 1105960052 XGDATPTWFZGUKZ-CYBMUJFWSA-N 322.365 -0.105 30 20 DBED Cc1ncc(C(=O)NC[C@H](O)CN=c2cc[nH]c(C#N)n2)n1C 1106093297 WUVULCJZDYZODI-SNVBAGLBSA-N 315.337 -0.985 30 20 DBED CC(C)C#CC(=O)NCc1cn(C2CN([C@H](C)C(N)=O)C2)nn1 1107169836 WBZLZGHJCKFTJI-LLVKDONJSA-N 318.381 -0.716 30 20 DBED C[C@H](CNc1cnc(C#N)cn1)NC(=O)[C@]1(C)CNC(=O)C1 1108015888 FFUDFKQRUQGSMI-OTYXRUKQSA-N 302.338 -0.209 30 20 DBED C[C@@H](CNc1nccnc1C#N)NC(=O)[C@]1(C)CNC(=O)C1 1108610858 PDHUQFSPTKHSFD-XPTSAGLGSA-N 302.338 -0.209 30 20 DBED C#CCNC(=O)CN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC(C)(C)O)C2 1108671845 XLAGGNUNQWWKBW-MJBXVCDLSA-N 321.421 -0.134 30 20 DBED CCc1nc(C#N)cc(N(C)C[C@@H](C)NC(=O)CC(=O)NC)n1 1108949909 LUGGPGWVDIFLQO-SNVBAGLBSA-N 318.381 -0.012 30 20 DBED CNC(=O)NCC(=O)N[C@@H](C)CN(C)c1nccnc1C#N 1109287053 CBGOOHUWASYWHB-VIFPVBQESA-N 305.342 -0.782 30 20 DBED CCC(=O)NCC(=O)N[C@H]1[C@H]2C[C@H]1N(c1cnc(C#N)cn1)C2 1109702917 UDSLRNNHHLGIHP-ISOBSLSZSA-N 314.349 -0.432 30 20 DBED N#Cc1nccnc1NC[C@H](NC(=O)Cn1nccn1)C1CC1 1109912409 CJEBONTYIJAWPF-LBPRGKRZSA-N 312.337 -0.053 30 20 DBED N#Cc1ccc(NC[C@H](NC(=O)Cn2nccn2)C2CC2)nn1 1109913099 XSTIPMHSOPCIIQ-LBPRGKRZSA-N 312.337 -0.053 30 20 DBED C[C@]1(NC(=O)Cn2ncnn2)CCN(c2ccc(C#N)nc2)C1 1110785748 FZTLRONFLNPJMX-AWEZNQCLSA-N 312.337 -0.275 30 20 DBED CN1CCC[C@H]1C(=O)N(CCO)CCNc1cncc(C#N)n1 1111429377 IXJMXLHUAPWJPQ-ZDUSSCGKSA-N 318.381 -0.325 30 20 DBED N#Cc1ccc(NCCN(CCO)C(=O)c2cncnc2)nn1 1111465856 STFQHGSGCZLSEL-UHFFFAOYSA-N 313.321 -0.315 30 20 DBED CNC(=O)CC(=O)N[C@H]1CCN(c2nccnc2C#N)[C@@H](C)C1 1112469430 LCARHJOHKRHMSG-QWRGUYRKSA-N 316.365 -0.042 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)[C@@H](C)n2cccn2)CC1 1112624282 VJVYSXXFBROVIP-ZIAGYGMSSA-N 317.393 -0.274 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)c2cn(C)cn2)CC1 1112767455 TXXQEKLNJNPMNT-LBPRGKRZSA-N 305.382 -0.131 30 20 DBED CC#CCN1CCN(C(=O)CNC(=O)c2ccncc2)CC1 1112871123 IZZIXOAHAXUUHK-UHFFFAOYSA-N 300.362 -0.021 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@]2(C)CCO[C@H]2C)CC1 1113136541 AOMXJFCLBBQJCG-XJKSGUPXSA-N 307.394 -0.305 30 20 DBED CNC(=O)NCC(=O)N[C@H](C)[C@@H](C)Nc1nccnc1C#N 1113349536 FWKGTRQESYFOOR-RKDXNWHRSA-N 305.342 -0.418 30 20 DBED CC(=O)N1CC(C(=O)NC[C@H](C)N(C)c2cncc(C#N)n2)C1 1113579758 UKIBAZAVQJUQAS-JTQLQIEISA-N 316.365 -0.233 30 20 DBED N#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3ccccc3O)[C@H]2C1 1113883944 ZCAVZJNQOHSUJP-RYUDHWBXSA-N 314.345 -0.308 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)CNC(=O)OC)[C@@H]2C1 1113948011 KUKLOHNWKAZKIU-HBNTYKKESA-N 324.381 -0.921 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)CCCCOC)[C@H]2C1 1114012607 IMNPZTIENXKMDA-STQMWFEESA-N 307.394 -0.401 30 20 DBED Cc1nn(C)cc1C(=O)NC1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]12 1114053764 FUQNZDJBRVWBBC-VXGBXAGGSA-N 316.365 -0.972 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@H]2CN(Cc3nccn3C)C[C@H]12 1114158343 UYRZIVATPPAZPU-RYUDHWBXSA-N 315.377 -0.894 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@H]2CN(Cc3cnns3)C[C@H]12 1114160109 RQWDKWSWDPJMSW-QWRGUYRKSA-N 319.390 -0.776 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@H]1[C@@H]2CN(Cc3nc(O)n[nH]3)C[C@@H]21 1114194183 MERAGELFURGSHW-VILIVFPASA-N 307.354 -0.616 30 20 DBED CNC(=O)CC(=O)NCC1[C@H]2CN(c3cncc(C#N)n3)C[C@H]12 1114530669 OKQBSGFQHGMICN-VXGBXAGGSA-N 314.349 -0.717 30 20 DBED C=CCOCCN1C[C@@H]2C(NC(=O)c3cn(C)c(=O)cn3)[C@H]2C1 1114590247 OAOCJYGKFPZBAX-RYUDHWBXSA-N 318.377 -0.357 30 20 DBED C#CCCN1C[C@H]2[C@H](NC(=O)CNC(=O)C3CCOCC3)[C@H]2C1 1114988320 CUURMIKHGKVYNY-FOLVSLTJSA-N 319.405 -0.401 30 20 DBED N#CCN1C[C@H]2C(NC(=O)CNC(=O)C3CCOCC3)[C@@H]2C1 1114989797 VGZOJGHXQMPBGD-VXGBXAGGSA-N 306.366 -0.901 30 20 DBED N#CCN1CCC(NC(=O)NCC(=O)N2CCOCC2)CC1 1116478801 VDOJEPICKOHZKP-UHFFFAOYSA-N 309.370 -0.868 30 20 DBED Cc1cc(NC(=O)C(=O)N2CC(CC(N)=O)C2)n(CCC#N)n1 1116898425 PLVODDJGHNHUHB-UHFFFAOYSA-N 318.337 -0.623 30 20 DBED Cn1cc(CC(=O)NC[C@@H](CO)Nc2cncc(C#N)n2)cn1 1121190490 LJYXKJYCWKJNJT-LBPRGKRZSA-N 315.337 -0.787 30 20 DBED CC1(C(=O)NC[C@H](CO)N=c2cc[nH]c(C#N)n2)CCOCC1 1121785461 PGZCDMIFMCZIPL-LLVKDONJSA-N 319.365 -0.524 30 20 DBED CN(C[C@H](O)CNc1cncc(C#N)n1)C(=O)CSCC#N 1124111530 JCUQAMDMUDHNJB-LLVKDONJSA-N 320.378 -0.164 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)c1ccoc1 1124117867 ZFSIOYXIXPTWPI-NSHDSACASA-N 301.306 -0.092 30 20 DBED CN(C[C@@H](O)CNc1cncc(C#N)n1)C(=O)[C@@]1(F)CCOC1 1124665106 HNDGLWCFOJUMKM-SMDDNHRTSA-N 323.328 -0.292 30 20 DBED N#Cc1cc(C(=O)NCCNCC(=O)Nc2cnccn2)c[nH]1 1125987951 IZIXPTRBVOPJEM-UHFFFAOYSA-N 313.321 -0.366 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)[C@H](OC)C1CC1 1126486759 IGAIDPMLEMPHRL-CQSZACIVSA-N 310.398 -0.121 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)c1nn(C)cc1C 1126948726 HFAOLQVCNGMVCY-UHFFFAOYSA-N 322.369 -0.940 30 20 DBED C#CCOCCC(=O)NCCNCC(=O)N(C)Cc1ccco1 1127023174 CZLOTDJNHHEUCN-UHFFFAOYSA-N 321.377 -0.016 30 20 DBED CN(CCOCCN=c1cc[nH]c(C#N)n1)C(=O)c1cnon1 1127351639 OBSUWTBJUGUFET-UHFFFAOYSA-N 317.309 -0.646 30 20 DBED CC#CCN1C[C@H]2C[C@H]3CN(C(=O)[C@@H](C)CC(N)=O)C[C@@]3(C1)O2 1131252767 ZHLUMUHGGVWYGH-SZOQZIPDSA-N 319.405 -0.177 30 20 DBED C#CCNC(=O)CN1C[C@H](NC(=O)CCOCC#C)CC[C@H]1C 1132029747 PETYHZODNDSLSI-HUUCEWRRSA-N 319.405 -0.255 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)[C@@H](C)CC(N)=O 1132331744 WDBMGFDGEBRUEU-LBPRGKRZSA-N 310.398 -0.596 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)CNC(N)=O)CC[C@H]1C 1132637429 JGAXFWMLUWHVKC-CHWSQXEVSA-N 310.398 -0.621 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](C)[C@H](CNCCOC)C1 1132760688 AZUDYMVIEZHHDI-UONOGXRCSA-N 309.410 -0.154 30 20 DBED C=CCCCC(=O)NCCNCc1nc(CC(=O)NC)no1 1133144991 KNNOHTUQBOSTTH-UHFFFAOYSA-N 309.370 -0.080 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)c1cnn(C)c1)NCC(=O)NCC#N 1133666289 GLPJHDRVOJZTAS-WDEREUQCSA-N 306.370 -0.454 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC2(CN(C(=O)[C@H](C)OC)C2)C1 1147080152 WTAMCFHHPQCSIR-OLZOCXBDSA-N 307.394 -0.307 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)[C@H]1OCC[C@H]1C)C2 1148304581 IOARZTGBRPBCOZ-HIFRSBDPSA-N 319.405 -0.305 30 20 DBED C#CCNC(=O)CNCCNC(=O)C1(CC=C)CCOCC1 1149318290 ULLDSHIVFMMCSH-UHFFFAOYSA-N 307.394 -0.186 30 20 DBED C[C@H](C(=O)NC[C@@H]1CN(CC#N)CCCO1)N1C(=O)CCC1=O 1149817104 LVTLCFDSDDIBOK-VXGBXAGGSA-N 322.365 -0.745 30 20 DBED C=CCNC(=O)CN(CC)[C@H](C)CNC(=O)[C@@H]1CC(=O)N(C)C1 1153699726 LEFXRVZDAUDXSZ-CHWSQXEVSA-N 324.425 -0.407 30 20 DBED C=C(C)CN(CC)[C@H](C)CNC(=O)CNC(=O)Cn1cncn1 1157080894 CAMVMYABLBVREI-CYBMUJFWSA-N 322.413 -0.203 30 20 DBED CO[C@@H](C)C(=O)NCCC1=CCN(CC(=O)NCC#N)CC1 1159451995 DGBQDMMAALGJHI-LBPRGKRZSA-N 308.382 -0.201 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)[C@H](C1CC1)N(C)C 1159932980 XGLADDZBNSDWHK-OCCSQVGLSA-N 308.426 -0.440 30 20 DBED N#CCNCC1(CCNC(=O)CCN2C(=O)CCC2=O)CC1 1166041125 ISXNYKVIIZRPSC-UHFFFAOYSA-N 306.366 -0.075 30 20 DBED CC#CCN1CCO[C@H]2CCN(C(=O)CNC(=O)CC)C[C@H]21 1176961491 AAPFAHSUVKJLRX-KGLIPLIRSA-N 307.394 -0.162 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)CN(C)CCC)[C@H]1C 1179982601 BASVTWDNAITNJI-KBPBESRZSA-N 308.426 -0.343 30 20 DBED COCC#CCNC[C@]1(C)CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1C 1182624012 YDYVNEMPLRHRKZ-VWPFQQQWSA-N 321.421 -0.168 30 20 DBED C[C@H](NS(C)(=O)=O)C(=O)N1C[C@@H](C)[C@](C)(CNCC#N)C1 1182732497 OVBDNMHIYYTJGM-NTZNESFSSA-N 316.427 -0.478 30 20 DBED C=CCNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)c2cc[nH]c2)C1 1182755436 PRZKXUFRYJPSKU-GFCCVEGCSA-N 319.365 -0.169 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)C(=O)NCC(F)F)C1 1183853294 ARJAQUYEPQAKFK-SNVBAGLBSA-N 303.309 -0.792 30 20 DBED C[C@H]1CN(C(=O)c2cnon2)CC[C@@H]1CNCC(=O)NCC#N 1185338821 SFQYDCGFLCJPBB-WDEREUQCSA-N 320.353 -0.603 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)Cc2cnc[nH]2)C1 1185925843 OMSOJGZUHKLXIG-NWDGAFQWSA-N 303.366 -0.719 30 20 DBED C=CCNC[C@@H]1CN(C(=O)Cn2ncnn2)CC12CCOCC2 1186373998 PWMJZJABFCXJFM-CYBMUJFWSA-N 320.397 -0.296 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)CN(CC)CC)C1 1186496762 PZHDJLOTBQBGHB-ZIAGYGMSSA-N 308.426 -0.343 30 20 DBED C#CCN(C)[C@@H]1CCN(C(=O)[C@H](C)NS(=O)(=O)CC)C1 1190288663 BKNMEFAYISSLLM-NWDGAFQWSA-N 301.412 -0.520 30 20 DBED C=CCN(C)[C@H]1CCN(C(=O)CS(=O)(=O)CCOC)C1 1190973537 PPYNHZBPGBQGAM-LBPRGKRZSA-N 304.412 -0.234 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CN(CC(=O)NC2CCCCC2)C[C@H]1O 1191854765 ROXPEXMBGBXHQH-MRVWCRGKSA-N 322.409 -0.244 30 20 DBED CCCN(CCC)C(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)C#N)C1 1191864707 QKLWEHZRYYNICA-BFHYXJOUSA-N 324.425 -0.044 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 1192355282 QNXPXFKOICVCLO-CABCVRRESA-N 320.437 -0.390 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)CN(C)CCC)C1 1193620791 BAHHZGLHTGPQAW-AWEZNQCLSA-N 308.426 -0.390 30 20 DBED CNC(=O)NC(=O)CN1CCCN(C(=O)C#CC(C)C)CC1 1195774838 DGKNKPWMCCNQGC-UHFFFAOYSA-N 308.382 -0.364 30 20 DBED N#CCN1CCCN(C(=O)CCCN2C(=O)CCC2=O)CC1 1196060288 QZEWDEMPSMTWGC-UHFFFAOYSA-N 306.366 -0.027 30 20 DBED N#CCN1CCCN(C(=O)CCCn2c(O)nnc2O)CC1 1196366855 PGZYVOXKSZULAW-UHFFFAOYSA-N 308.342 -0.473 30 20 DBED C=CCCn1cc(C(=O)N[C@@H]2CN(CCCOC)C[C@H]2O)nn1 1196797588 DPALFDXDAJBOPT-TZMCWYRMSA-N 323.397 -0.334 30 20 DBED CC[C@H](CC(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1O)C(C)C 1197934781 HOORWFRKZSPJHZ-MGPQQGTHSA-N 324.425 -0.140 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN([C@H](C)c2nncn2C)C[C@H]1O 1199307262 GEFFYBCPBHBPIS-JHJVBQTASA-N 323.397 -0.370 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2cnn(C)c2)C[C@H]1O 1199313612 LPCOAYLYBPCFIS-IACUBPJLSA-N 308.382 -0.328 30 20 DBED N#CCNC(=O)CNC1CCN(C(=O)Cn2cccn2)CC1 1199320798 PECVAXBVNVVPRN-UHFFFAOYSA-N 304.354 -0.897 30 20 DBED CN(CC(=O)N[C@@H]1CN(CC#N)C[C@H]1O)Cc1ccccc1 1199377978 SKUWACGCDODZIQ-HUUCEWRRSA-N 302.378 -0.197 30 20 DBED C[C@H](NC[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCCO1)C(N)=O 1200199159 FEIBLVAQWVIYTG-JQWIXIFHSA-N 319.365 -0.419 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCC(NCc2nc(O)n[nH]2)CC1 1200335199 XZAXVQGBCQJDTK-AWEZNQCLSA-N 309.370 -0.082 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)[C@@H](CC)N(C)C)CC1 1201238704 CYJCQSUEVZVMEI-CQSZACIVSA-N 308.426 -0.343 30 20 DBED C=CCCC(=O)N1CCC[C@@H](NCC(=O)N2CCNC(=O)C2)C1 1207635709 MIAVKJMIEWLFDM-CYBMUJFWSA-N 322.409 -0.508 30 20 DBED C=CCCN1C[C@@H](NC(=O)CCn2ncn(C)c2=O)[C@H](C)C1 1208081658 PZLTXFHFYDTCFU-CHWSQXEVSA-N 307.398 -0.016 30 20 DBED CC#CCN1C[C@@H](NC(=O)CS(=O)(=O)N(C)C)[C@H](C)C1 1210700302 JQCAGPDPPAAGRS-VXGBXAGGSA-N 301.412 -0.662 30 20 DBED COCC#CCN1C[C@@H](NC(=O)[C@@H]2CCCOC2)[C@H](OC)C1 1211997114 HQMPBUKGICRVFO-RBSFLKMASA-N 310.394 -0.122 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)[C@@H](OC)C3CC3)[C@@H]2C1 1221516499 RJQWBIKNCJXLQH-FMKPAKJESA-N 319.405 -0.307 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@H]2CCN(Cc3nc(O)n[nH]3)C[C@H]21 1221544624 ZGIUHXPTOIDHOI-IJLUTSLNSA-N 319.365 -0.419 30 20 DBED CC(C)NC(=O)CN(C)CC(=O)N1C[C@H]2CCN(CC#N)C[C@H]21 1221670535 GSKMBNFZWVTOTG-ZIAGYGMSSA-N 321.425 -0.501 30 20 DBED COCC#CCN1CC[C@@H]2CN(C(=O)C[C@@H]3CCC(=O)N3)[C@@H]2C1 1221864295 SDGKFGMAYKRPQR-QLFBSQMISA-N 319.405 -0.162 30 20 DBED COCCOC[C@H](O)CN1CCC(NC(=O)[C@@H](C)C#N)CC1 1226640486 NSFAWZRJEJEFIV-GXTWGEPZSA-N 313.398 -0.249 30 20 DBED C#CCO[C@@H](C)C(=O)NC1CCN([C@@H]2CCCNC2=O)CC1 1227342191 KEUSDCMDBKLRKV-GXTWGEPZSA-N 307.394 -0.116 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)C[C@H](C)COC)CC1 1229849882 MWPHJZMAKIRSHI-ZDUSSCGKSA-N 309.410 -0.011 30 20 DBED C=CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)c1cn(C)cn1 1233610013 CYMWMEQYEHFNMT-GFCCVEGCSA-N 305.382 -0.131 30 20 DBED C#CCCN1CC[C@@H]1CN(C)C(=O)CCS(=O)(=O)NC 1234287841 WHYALIUOJFUIRK-GFCCVEGCSA-N 301.412 -0.518 30 20 DBED C[C@@]1(C#N)CCCN(C(=O)C(=O)N2CCN3CCOC[C@@H]3C2)C1 1261328582 KQLJQYFOBBSJRK-BBRMVZONSA-N 320.393 -0.318 30 20 DBED COC(=O)N(C)CCNC(=O)C(=O)N1CC[C@@](F)(C#N)C1 1261618075 AQZLNTGJVAPQFD-GFCCVEGCSA-N 300.290 -0.735 30 20 DBED COCCS(=O)(=O)CC(=O)NC1(C#N)CCN(C)CC1 1322635891 SRNVTVDHMFVTHN-UHFFFAOYSA-N 303.384 -0.848 30 20 DBED C#CCNC(=O)[C@@H](C)OC(=O)C[C@H]1CCCS(=O)(=O)C1 1324277914 DQJBRZRACZYTAG-GHMZBOCLSA-N 301.364 -0.118 30 20 DBED Cc1nc2[nH]n(C)c(=O)c2c(C)c1CCC(=O)NCC#CCO 1326799248 KDKVFFGATNGQLN-UHFFFAOYSA-N 316.361 -0.077 30 20 DBED C=C(C)COCCNC(=O)C(=O)NCc1nnn(C(C)(C)C)n1 1326915373 FWSXJEXQWXLODX-UHFFFAOYSA-N 324.385 -0.247 30 20 DBED C#C[C@@H](NC(=O)C(=O)NCc1cn(CC)nn1)[C@@H]1CCCO1 1330998299 KCSZIWWQUMIYJO-NEPJUHHUSA-N 305.338 -0.789 30 20 DBED C#CCNS(=O)(=O)c1ccc(C(=O)Nn2cnnc2)cc1 1337344519 KNNYWZGARNMLBI-UHFFFAOYSA-N 305.319 -0.427 30 20 DBED COCCNC(=O)[C@@H](C#N)C(=O)c1cccn2c(O)nnc12 1343464435 XLBHPVGWDHXDPX-VIFPVBQESA-N 303.278 -0.480 30 20 DBED C#C[C@H](CC)NC(=O)C(=O)Nc1ccc(=O)n(CCOC)c1 1343623179 YNCRZHXGXIDYHH-LLVKDONJSA-N 305.334 -0.039 30 20 DBED C#CCCCCNC(=O)C(=O)NCCNC(=O)c1cccnc1 1345018039 AMENTTNDRBLBEM-UHFFFAOYSA-N 316.361 -0.153 30 20 DBED C#CCNC(=O)C1CCN(C(=O)C(=O)NCCC(C)(C)O)CC1 1346685120 ZMDDTUORHOKXOA-UHFFFAOYSA-N 323.393 -0.748 30 20 DBED N#CCCN(CCN1CCOCC1)C(=O)CCCc1nn[nH]n1 1362094116 XXUWSHQHRQKNEN-UHFFFAOYSA-N 321.385 -0.403 30 20 DBED N#Cc1cn(CC(=O)NC2[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)c(=O)nc1O 1362193275 QTUCOPHYKAQDBB-LDDIKCJXSA-N 300.318 -0.019 30 20 DBED C[C@@H]1COCCCN1C(=O)CCn1cc(C#N)c(O)nc1=O 1362272405 QAUMUIRLSZEXNS-SNVBAGLBSA-N 306.322 -0.152 30 20 DBED N#Cc1ccc(NCC(=O)N2CCOC[C@@H]2c2nn[nH]n2)nc1 1363202068 AGCYCSAOVIYONC-SNVBAGLBSA-N 314.309 -0.522 30 20 DBED C=C(Cl)CNC[C@H](O)CNC(=O)[C@H]1CCc2nncn2C1 1367627738 GRWVRBRDMDMWGB-QWRGUYRKSA-N 313.789 -0.340 30 20 DBED C[C@H](CN(C)C(=O)c1cc(C#N)c[nH]1)NCc1nc(O)n[nH]1 1379090983 IKWONVNPSZEAFR-MRVPVSSYSA-N 303.326 -0.040 30 20 DBED C=C(Cl)CN1CC[C@@H]1CN(C)C(=O)Cn1ncn(C)c1=O 1388640911 KDGRZYXWJCFADC-LLVKDONJSA-N 313.789 -0.133 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CCNC(=O)CCNC(N)=O)CC1 1399216687 ITTVBIXLEZTWOR-NSHDSACASA-N 323.397 -0.051 30 20 DBED C=C(Cl)CNC1(CNC(=O)CS(=O)(=O)NC)CCC1 1407818406 DCROVZLHHLJHPE-UHFFFAOYSA-N 309.819 -0.083 30 20 DBED C=C(Cl)CNC[C@H](O)CN(C)C(=O)CS(=O)(=O)CC 1411128491 PLAOQLYTDLLNDX-JTQLQIEISA-N 312.819 -0.418 30 20 DBED CNc1nc(C(=O)NCCn2cc(C#N)c(O)nc2=O)cs1 1413312025 ZVFJYLMCUARVBN-UHFFFAOYSA-N 320.334 -0.251 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@@H]1CCN(C(=O)CN2CCOCC2)C1 1414591722 ACCLLKQFLDFLTK-QWHCGFSZSA-N 308.382 -0.462 30 20 DBED C[C@@H](C#N)C(=O)NCC1CN(C(=O)C[C@H]2CCC(=O)N2C)C1 1416121114 RNFKCKTVYDBLBL-CMPLNLGQSA-N 306.366 -0.268 30 20 DBED C[C@@H](NC[C@H](O)CNC(=O)c1cc(C#N)c[nH]1)C(=O)NC1CC1 1420118848 VHQFSGNNGRUKDY-SKDRFNHKSA-N 319.365 -0.766 30 20 DBED COC(=O)NCC(=O)N(C)C[C@@H](C)NC(=O)c1cc(C#N)c[nH]1 1424992836 QLTJLRSOMARXBU-SECBINFHSA-N 321.337 -0.181 30 20 DBED CCN1CCOC[C@@H]1C(=O)N(C)CCN(C)C(=O)[C@@H](C)C#N 1452167798 XJJIJLKFGLQTHT-QWHCGFSZSA-N 310.398 -0.216 30 20 DBED C[C@H](C(=O)N1CCC(C(=O)NCCO)CC1)n1cnc(C#N)n1 1470644377 MPUBNTCBNCGDDE-SNVBAGLBSA-N 320.353 -0.942 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)CNC(=O)N2CCCC2)C1 1494045053 DRRZQTMGFFCZPL-SRVKXCTJSA-N 321.381 -0.285 30 20 DBED C=C(C)CCNCc1cn(C2CN(C(=O)CNC(=O)O)C2)nn1 1573324841 ZUPGCJTUDUNGMU-UHFFFAOYSA-N 322.369 -0.015 30 20 DBED Cn1nccc1[C@@H]1CN(C(=O)N[C@H]2CNC[C@H]2C#N)CCO1 1580011736 YPIJVPSSBYBSPT-MDZLAQPJSA-N 304.354 -0.385 30 20 DBED N#CC1(CS(=O)(=O)NCc2ccnc(-c3nn[nH]n3)c2)CC1 1581857315 XNLVSLLSRGZRLO-UHFFFAOYSA-N 319.350 -0.015 30 20 DBED C#CCCN1CC(n2cc(CNC(=O)[C@@H]3C[C@@H]3C(=O)O)nn2)C1 1588447798 QJOIDGOFIYERSU-OLZOCXBDSA-N 317.349 -0.505 30 20 DBED COC(=O)CN(CC#N)C[C@H](O)c1cccc(-c2nn[nH]n2)c1 1591267220 WFNCIYNSHWTBLN-LBPRGKRZSA-N 316.321 -0.101 30 20 DBED C[C@@]1(C(=O)O)CCCN(C(=O)C(=O)N2CCO[C@@H](C#N)C2)C1 1593762766 SNGHRSBVPKBBOP-IINYFYTJSA-N 309.322 -0.549 30 20 DBED COC(=O)[C@H]1CC[C@H](C(=O)O)N(C(=O)Cn2cnc(C#N)n2)C1 1598775180 SFXIXDBGFOLFOB-DTWKUNHWSA-N 321.293 -0.985 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)NC[C@@H](CC2CC2)C(=O)O)CCO1 1601063751 YNVIQVHAUNSXEM-GHMZBOCLSA-N 317.367 -0.454 30 20 DBED C=CCOC[C@H](NC(=O)[C@@]12C[C@H]3C[C@H](C(=O)N1)[C@H]2C3)C(=O)O 1602909677 CMQSTLPZXPKVMT-AOVQSLKQSA-N 308.334 -0.327 30 20 DBED CSc1nc(O)c(C(=O)N[C@@](C)(CO)C(=O)O)cc1C#N 1607401939 DHMUWYXBGFMTNO-LBPRGKRZSA-N 311.319 -0.054 30 20 DBED C=CCNC(=O)CN1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1COCCO1 1752524349 PSDPQFNUDYFCGV-HZSPNIEDSA-N 323.393 -0.621 30 20 DBED C=CCNC(=O)CN1[C@H]2CC[C@H]1CC(NC(=O)CNC(C)=O)C2 1752690419 KVTQIXNJMOQLKD-KBPBESRZSA-N 322.409 -0.464 30 20 DBED CC#CCN[C@H]1C[C@@H](NC(=O)[C@H]2CCc3nnc(O)n3C2)C1 1752737205 KAJMDICJDCDIGI-SDDRHHMPSA-N 303.366 -0.194 30 20 DBED COCC#CCN1CCC[C@H]1CNC(=O)c1ccc(=O)n(C)n1 1753114134 CJTMXKPSSHDTGT-ZDUSSCGKSA-N 318.377 -0.376 30 20 DBED C#CCNC(=O)CNCCN(C)C(=O)c1nccn2ccnc12 1753240086 NXEUWNXQQCTRFX-UHFFFAOYSA-N 314.349 -0.860 30 20 DBED C=CCN1CC[C@H](N[C@@H](CC)CNC(=O)CNC(C)=O)C1=O 1753464723 RWWIURBWQOXZIK-STQMWFEESA-N 310.398 -0.606 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H](CCNCc2nc(=O)n(C)[nH]2)C1 1753544000 ZRIWADQFKRBNNW-RYUDHWBXSA-N 320.397 -0.014 30 20 DBED C#CCNC[C@H](C)N(C)C(=O)CS(=O)(=O)NC(C)(C)C 1753726821 RRMBTOBBKLUSGY-NSHDSACASA-N 303.428 -0.226 30 20 DBED C#CCNC[C@@H]1[C@@H](C)CCCN1C(=O)CN(C)C(=O)COC 1753815568 AHJFMAQKONPFDU-UONOGXRCSA-N 309.410 -0.059 30 20 DBED CCN(CCNCC(=O)NCC#N)C(=O)[C@@H]1CCOC[C@H]1C 1754066051 WOGZIABQFNPWIC-CHWSQXEVSA-N 310.398 -0.263 30 20 DBED C=CCNC(=O)CN(C)C[C@H](C)NC(=O)CN1CCOCC1 1754305321 QGMQZNBMVZLGDO-ZDUSSCGKSA-N 312.414 -0.943 30 20 DBED CCN1C[C@@H](C(=O)N[C@@H](CNCC#CCOC)C2CC2)CC1=O 1754442780 JDPHJLKXASMTPM-GJZGRUSLSA-N 321.421 -0.011 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CNC(=O)C[C@](C)(O)C1CC1 1754480428 HBSMOSXOSQLQLF-CJNGLKHVSA-N 307.394 -0.523 30 20 DBED C[C@H]1C[C@@H](NCC(=O)NCC#N)CCN1C(=O)Cc1ncc[nH]1 1754600855 INMJBPQHQSUHCL-RYUDHWBXSA-N 318.381 -0.439 30 20 DBED C#CCNC(=O)CN1CC[C@@](C)(NC(=O)c2cccnn2)C1 1754681350 FPXNQNSEOGYUJQ-OAHLLOKOSA-N 301.350 -0.580 30 20 DBED C=C(Cl)CN1CCOC[C@@H]1CNC(=O)C1(C(N)=O)CC1 1754971281 KGTYKEQUDZNTPD-JTQLQIEISA-N 301.774 -0.179 30 20 DBED C#CCO[C@@H](C)C(=O)NC1CC(CNCC(=O)N(C)CC)C1 1755211526 UAVMCZQQZCGSOA-HSBZDZAISA-N 309.410 -0.013 30 20 DBED C#CCNC(=O)CN[C@H](C)[C@H](C)NC(=O)c1cnc(C)nc1C 1755260769 UZMAWQARYGDBRN-MNOVXSKESA-N 317.393 -0.061 30 20 DBED CC#CCN1CCC[C@@H](NC(=O)CCS(=O)(=O)NC)[C@@H]1C 1755717321 FTKTVJKFZCVIPH-QWHCGFSZSA-N 315.439 -0.082 30 20 DBED Cn1cnnc1COCC(=O)N[C@H]1CC[C@@H](CNCC#N)C1 1755747971 YMELVIOYRSUYJB-NEPJUHHUSA-N 306.370 -0.270 30 20 DBED C[C@@H](CN(C)C(=O)c1ccc(C#N)[nH]1)NC(=O)CC(=O)N(C)C 1756445742 SXWPNNUPMNBWCO-JTQLQIEISA-N 319.365 -0.059 30 20 DBED C=C(C)CCC(=O)N[C@H](CO)CNC(=O)c1cnn(C)c1N 1756513482 IPKAFGFWTPRMFZ-JTQLQIEISA-N 309.370 -0.435 30 20 DBED C#CCOCCC(=O)NC[C@H](CO)NC(=O)c1c[nH]c(C#N)c1 1756520887 GLIANAXECHUZPH-CYBMUJFWSA-N 318.333 -0.867 30 20 DBED C#CCCCCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn(C)nn2)C1 1756993157 QOVJAXQRDMCYRV-DGCLKSJQSA-N 319.365 -0.690 30 20 DBED CO[C@@H]1CN(C(=O)c2cnn[nH]2)C[C@H]1NC(=O)C#CC(C)C 1757127497 IWZUKQLAOWVHPY-VXGBXAGGSA-N 305.338 -0.580 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@H](NC(=O)C2(C(=O)NC)CC2)C1 1757191542 WAPUAHPXDNZUIL-MNOVXSKESA-N 309.366 -0.833 30 20 DBED CN(C(=O)N[C@H](CCC#N)C(=O)O)[C@H]1CCS(=O)(=O)C1 1777022005 CYUDGJHKNHTJEE-DTWKUNHWSA-N 303.340 -0.428 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#C)C[C@@H]21 1784483388 VKAQQDGGOXJVBH-QPSCCSFWSA-N 318.373 -0.362 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccc(C)n1)C2 1800451211 SHVWZOMGFABJCP-YWVIFJGQSA-N 316.361 -0.586 30 20 DBED C#CCCC(=O)N1CC2(CCCN2C(=O)C[C@H](NC)C(=O)O)C1 1842953555 ANRGKPGDAORVOK-LBPRGKRZSA-N 321.377 -0.334 30 20 DBED C=CCNC(=O)[C@H](C)OC(=O)CCN1C(=O)NC(C)(C)C1=O 25039967 UFQMBDBIZZLWSE-VIFPVBQESA-N 311.338 -0.059 30 20 DBED C=CCNS(=O)(=O)c1cccc(C(=O)NCC(=O)NC)c1 25266950 GFGZRVPAEGWBLX-UHFFFAOYSA-N 311.363 -0.373 30 20 DBED COCC(=O)N1CCN(CC(=O)N[C@](C)(C#N)C2CC2)CC1 47995452 FEYOWXDKQVZSIR-OAHLLOKOSA-N 308.382 -0.415 30 20 DBED CCS(=O)(=O)N1CCN([C@H](C)C(=O)N(C)CCC#N)CC1 52113698 ARNQGNOXQPGBFU-GFCCVEGCSA-N 316.427 -0.286 30 20 DBED N#C[C@@H]1COCCN1CCC(=O)NC(=O)NCC(F)(F)F 177117071 VASTVZMXRNUKMZ-MRVPVSSYSA-N 308.260 -0.011 30 20 DBED N/C(=N/CCN1C(=O)c2ccccc2C1=O)N1CCOCC1 262003868 QUEFTOOPVSZQOD-UHFFFAOYSA-N 302.334 -0.071 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C)[C@H]2CCCNC2)C1=O 269219125 RXEVJZVITNFEJJ-MNOVXSKESA-N 322.365 -0.533 30 20 DBED Cn1cnn(CC(=O)N(CCC#N)Cc2ccccn2)c1=O 271320382 XCQGZFUVDFNMBD-UHFFFAOYSA-N 300.322 -0.081 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H](COC)C2CC2)C1=O 288144927 MBKRCCKFGLONHN-OLZOCXBDSA-N 323.393 -0.227 30 20 DBED C=C[C@@H](CO)NS(=O)(=O)N1CCC(C(=O)OCC)CC1 290188164 LRWOQQWDBWITSN-NSHDSACASA-N 306.384 -0.357 30 20 DBED CCOC(=O)[C@@H](F)C1CN(c2c(C#N)c(=O)n(C)c(=O)n2C)C1 293275314 XTBSICNMLMGYHW-JTQLQIEISA-N 324.312 -0.707 30 20 DBED N#CCCN(CCC#N)C(=O)CN1CCOC[C@@H]1CC(=O)O 317166882 VVORKJFOJZPIEZ-LBPRGKRZSA-N 308.338 -0.182 30 20 DBED C=CC/N=C(/O)NC(=O)CN1CCC[C@H](S(C)(=O)=O)C1 330889860 GXSBGLYVKUMYME-JTQLQIEISA-N 303.384 -0.288 30 20 DBED CC(C)/N=C(/O)N1CCO[C@H](CNc2nccn(C)c2=O)C1 331219526 SUBUDHJKZAPTAY-LLVKDONJSA-N 309.370 0.215 30 20 DBED CC(C)OC[C@H](CO)N(C)S(=O)(=O)N1CCO[C@H](C#N)C1 337164583 XVWCOEVSPQFAFU-NWDGAFQWSA-N 321.399 -0.827 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1CCC[C@@H]1CCO 337185487 OHPHHTDRYRKFSE-GFCCVEGCSA-N 305.400 -0.060 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1CC2(CCOC2)C1 339157357 DGGOWGIQMYRNQU-UHFFFAOYSA-N 303.384 -0.184 30 20 DBED C=C1CCN(CC(=O)N2CCN(CC(=O)N(C)C)CC2)CC1 341986073 TWMBUGUWLKVGFH-UHFFFAOYSA-N 308.426 -0.129 30 20 DBED N#CCNS(=O)(=O)CCCCS(=O)(=O)N1CCCC1 349562205 GMBCHGDNNACCJV-UHFFFAOYSA-N 309.413 -0.365 30 20 DBED N#CCNC(=O)CNC(=O)Nc1ccc(C(F)(F)F)nn1 351102115 PBICXJMJIPEYPC-UHFFFAOYSA-N 302.216 0.257 30 20 DBED N#Cc1cccc(NCC(=O)N2CCN(C(=O)CO)CC2)c1 351485704 KHMHDNXYSPRANV-UHFFFAOYSA-N 302.334 -0.367 30 20 DBED C[C@H]1CN(S(=O)(=O)N(C)[C@H](C)CC#N)C[C@H](C)S1(=O)=O 352592764 IPNCJRAPIFAQAF-VWYCJHECSA-N 323.440 -0.027 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H](C2CC2)N(C)C)C1=O 357251427 CIJMZRDRABSHQB-NSHDSACASA-N 322.365 -0.580 30 20 DBED N#Cc1cccc(NCC(=O)NCCN2C(=O)CNC2=O)c1 426742824 LGWCZKPUXLKHAJ-UHFFFAOYSA-N 301.306 -0.362 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)C[C@@](C)(O)C2CC2)CC1 491167342 XPYHBXHYHOBBNZ-MRXNPFEDSA-N 307.394 -0.569 30 20 DBED N#Cc1cc(C(=O)N2CCCC[C@@H]2CNS(N)(=O)=O)c[nH]1 597739929 YTYQTRZHUUCRQZ-LLVKDONJSA-N 311.367 -0.326 30 20 DBED COc1cc(C#N)ccc1NC(=O)C(=O)N1C[C@H](O)[C@@H](O)C1 600006690 CASFENHFIYLAJV-QWRGUYRKSA-N 305.290 -0.931 30 20 DBED CN(CC1(O)CCC1)C(=O)C(=O)N1CCN(CCC#N)CC1 601534604 WIJHGNDMJVBZCK-UHFFFAOYSA-N 308.382 -0.582 30 20 DBED N#Cc1ccc(N2CCN(C(=O)C(=O)NC3CC3)CC2)nn1 611239878 PGUTXGOTSHZCFH-UHFFFAOYSA-N 300.322 -0.725 30 20 DBED CN(CC(=O)NO)S(=O)(=O)c1ccc2c(c1)OCCCO2 671997467 VMWVSBITXRCQIR-UHFFFAOYSA-N 316.335 -0.026 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)OCc2nc(C)no2)C1=O 726043404 VZQJQPYCBCURRQ-UHFFFAOYSA-N 308.250 -0.602 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCN(C(=O)CN(C)C)CC1 730275716 UYUZIIKIXINSGJ-AWEZNQCLSA-N 306.410 -0.684 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)CCCS(C)(=O)=O 731258770 CGMCNSGDOMCMLO-UHFFFAOYSA-N 306.340 -0.634 30 20 DBED C=CCN1CCC(NC(=O)c2cn(C)c(=O)n(C)c2=O)CC1 735045177 DHJYVUNWZALPBY-UHFFFAOYSA-N 306.366 -0.536 30 20 DBED CC(=O)NCC(=O)NCC(=O)OCc1cc(F)ccc1C#N 759356883 DZXJUJKFMCTGKY-UHFFFAOYSA-N 307.281 -0.007 30 20 DBED C=CCCC(=O)COC(=O)Cn1cc(S(N)(=O)=O)cn1 761392750 LZBIVSNTATYFDE-UHFFFAOYSA-N 301.324 -0.391 30 20 DBED N#CCc1ccccc1CC(=O)N1CCN(CC(N)=O)CC1 777371603 YBJJCDJGXMJTBJ-UHFFFAOYSA-N 300.362 -0.075 30 20 DBED C#CCOCCNC(=O)N[C@H]1C[C@H](C)N(c2cnn(C)c2)C1=O 784550004 LWQBKWJXXCGIGM-AAEUAGOBSA-N 319.365 -0.137 30 20 DBED COC[C@@H](C#N)OC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C 785228479 NPYGPHYXKZIJAW-MRVPVSSYSA-N 320.305 -0.729 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)Cn2cc([C@H](C)O)nn2)C1=O 799027020 AEOZRAZBMQFWLU-CMPLNLGQSA-N 307.354 -0.423 30 20 DBED C#CCCCNC(=O)C(=O)N1CCN([C@H]2CCCN(C)C2)CC1 806914046 MSVQWFISLURMBQ-HNNXBMFYSA-N 320.437 -0.246 30 20 DBED COC(=O)C1CCN(S(=O)(=O)NC(=O)CCCC#N)CC1 813063401 QXTPBUHRIJDGCB-UHFFFAOYSA-N 317.367 -0.074 30 20 DBED COc1ccnc(C=NNC(=S)NCCN2CCOCC2)n1 842521287 AILJOCVKMYMAJQ-UHFFFAOYSA-N 324.410 -0.385 30 20 DBED Cc1ccc(-c2nnn(CC(=O)N[C@@H]3CNC[C@@H]3C#N)n2)cc1 843459219 DHZJQVWIPCQVPS-QWHCGFSZSA-N 311.349 -0.124 30 20 DBED C#CCCCNC(=O)CS(=O)(=O)CC(=O)NCCCC#C 847531701 GKAFXWFVJYIMGU-UHFFFAOYSA-N 312.391 -0.540 30 20 DBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@@H]1CCOC(=O)N1 860463612 WYNQLIWYQNJEMJ-JTQLQIEISA-N 306.326 -0.247 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@H](CC(C)=O)C(=O)O 863407277 GFQGTCDXRSICEN-SNVBAGLBSA-N 321.355 -0.885 30 20 DBED CC(C)N1C(=O)C(=O)N(CN2CCN(CCC#N)CC2)C1=O 872735707 VRFWVOXZCLRGJH-UHFFFAOYSA-N 307.354 -0.326 30 20 DBED C#C[C@H](NC(=O)N(CCO)CCOCCO)[C@H]1CCCO1 875506909 RCZJFGFCCYWPRO-QWHCGFSZSA-N 300.355 -0.820 30 20 DBED C#CC[C@H](CO)NS(=O)(=O)c1cnc2c(c1)c(C)nn2C 882342452 ALBKMJYREAFYAM-SNVBAGLBSA-N 308.363 -0.061 30 20 DBED C#CCN1CCC[C@H](NC(=O)N2C[C@@H](C(=O)OC)C[C@@H](O)C2)C1 890363555 PHFZIQKIQVHSIY-MELADBBJSA-N 323.393 -0.351 30 20 DBED C#Cc1cccc(NC(=O)CNC(=O)CN2CCNC(=O)C2)c1 900282424 WRGLTFXBWVIARY-UHFFFAOYSA-N 314.345 -0.846 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2[C@H]3CCC(=O)[C@@H]32)CC1 906553836 BEIPEDOKNAOPOF-NILFDRSVSA-N 303.362 -0.895 30 20 DBED O=C(NCC#CCO)N1CCN(C(=O)N2CCCCC2)CC1 923784371 CELMFVBOELKRQD-UHFFFAOYSA-N 308.382 -0.085 30 20 DBED O=C1CC[C@H](C(=O)NC[C@H]2CN(C(=O)C#CC3CC3)CCO2)N1 944522171 WSXAROIZVXMPBV-QWHCGFSZSA-N 319.361 -0.978 30 20 DBED C#Cc1cncc(C(=O)NC[C@@H]2CCN2C(=O)c2nc[nH]n2)c1 952014898 WTRNUYCVELXTSG-LBPRGKRZSA-N 310.317 -0.175 30 20 DBED Cc1[nH]nc2ncc(C(=O)NC[C@H]3CN(CC#N)C[C@@H]3O)cc12 958672036 INBISBLDYCCYHM-AAEUAGOBSA-N 314.349 -0.188 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CN(C(=O)CC(C)(C)O)CCO2)C1 965366451 YZHRZTRYAUXVOB-NSHDSACASA-N 309.366 -0.253 30 20 DBED N#CCN1CCO[C@]2(CCN(C(=O)c3cnnc(O)c3)C2)C1 972419299 CPYZBDBBZBFVIF-CQSZACIVSA-N 303.322 -0.377 30 20 DBED O=C1NCC[C@@H]1C(=O)NC[C@H]1CCCN(C(=O)C#CC2CC2)C1 975439999 VDJDKHBJFSCBKA-KGLIPLIRSA-N 317.389 -0.109 30 20 DBED CC1(C)CN(CC#N)C[C@@H]1NC(=O)C1CC2(C1)NC(=O)NC2=O 977310260 NKLNPPNYJJKULZ-VOZQYIJBSA-N 319.365 -0.675 30 20 DBED N#CCN1C[C@H]2[C@H](CNC(=O)[C@H]3CCCS(=O)(=O)C3)[C@H]2C1 978819999 CSOMSAHFVZHTRR-ZDEQEGDKSA-N 311.407 -0.371 30 20 DBED C#CCN1CC[C@]2(NC(=O)[C@@H]3CN(C(C)=O)CCO3)CCC[C@@H]12 992465234 JPJZYRWXGVDWAU-ZMSDIMECSA-N 319.405 -0.020 30 20 DBED Cn1cc(C(=O)N[C@]23CCC[C@H]2N(CC#N)CC3)c(O)nc1=O 992496941 OVOSXTMNMKWRIA-ABAIWWIYSA-N 317.349 -0.264 30 20 DBED C[C@H]1[C@H](NC(=O)Cn2ccc(O)nc2=O)CCCN1CC#N 993570907 QBCBSECMVCXSKH-WDEREUQCSA-N 305.338 -0.558 30 20 DBED C[C@@H]1[C@@H](NC(=O)c2nccnc2C(N)=O)CCCN1CC#N 994379378 UQABVUXQZGOTHF-ZJUUUORDSA-N 302.338 -0.318 30 20 DBED C[C@@H](NC(=O)c1cnn(C)n1)C1CN(C(=O)C#CC2CC2)C1 1006425833 VALYLBCYGACYKP-SNVBAGLBSA-N 301.350 -0.195 30 20 DBED C=CCn1cc(C(=O)N2CCO[C@H]([C@@H](C)NC(C)=O)C2)nn1 1009690436 PZPHOOSCHVFZFB-MFKMUULPSA-N 307.354 -0.170 30 20 DBED CN1CC[C@@H](N2CC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)C1=O 1010696078 GJGZIMQIOWVVJS-DGCLKSJQSA-N 301.350 -0.079 30 20 DBED C[C@@H](C#N)C(=O)N1CCCO[C@@H](CNC(=O)c2cc[nH]n2)C1 1019537296 NXXNAYCDQQBKPX-QWRGUYRKSA-N 305.338 -0.083 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@H]2OCCN(C(=O)C(N)=O)[C@@H]2C1 1019908697 UCEZKILHAFROBH-GHMZBOCLSA-N 309.366 -0.488 30 20 DBED Cc1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2O)ns1 1023531848 YTFDVEQTKMVHKY-WHGOUJPWSA-N 308.363 -0.087 30 20 DBED C[C@@H]1CCN(CC(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2O)C1 1025685575 OJFPDTIYMREEPN-BPLDGKMQSA-N 319.405 -0.571 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2C[C@H](NC(=O)C(N)=O)C23CCC3)c[nH]1 1025903383 CPFDZFOSSRVMCF-MNOVXSKESA-N 315.333 -0.471 30 20 DBED C#CCN[C@@H]1CC[C@@H]2CN(C(=O)c3nccnc3C(N)=O)C[C@@H]21 1026415438 HKGTWFYXLBSXFO-GRYCIOLGSA-N 313.361 -0.351 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN([C@H](C)c2nnnn2C)C1 1030464435 SPSXTZNNRSVVHL-YPMHNXCESA-N 317.397 -0.831 30 20 DBED CC#CCN1CC(NC(=O)[C@@H]2COCCN2CC(F)F)C1 1030742314 MBAFDQXKMQFAGL-LBPRGKRZSA-N 301.337 -0.224 30 20 DBED C#Cc1cncc(C(=O)NC2CN([C@@H]3CCC(=O)NC3=O)C2)c1 1030928376 POHLUSMYFARXAV-CYBMUJFWSA-N 312.329 -0.718 30 20 DBED C#CCN1CC(CNC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 1031668283 BSWUVBMBEPMOLK-LBPRGKRZSA-N 301.350 -0.556 30 20 DBED C=CCn1cc(C(=O)NCC2CN([C@H](C)C(=O)N(C)C)C2)nn1 1032034693 AVHKMHCMCSYJJP-LLVKDONJSA-N 320.397 -0.398 30 20 DBED C[C@@H]1CN(C(=O)CN2CCN(C)C(=O)C2)CC[C@H]1NCC#N 1036083562 YOYXQDMVPOJTPR-CHWSQXEVSA-N 307.398 -0.889 30 20 DBED CCn1cc(C(=O)N2CC[C@](O)(CNC(=O)[C@H](C)C#N)C2)nn1 1040759218 GDOCHAWDIGOHDL-YGRLFVJLSA-N 320.353 -0.849 30 20 DBED C=CCCOCC(=O)N1CC(O)(CNC(=O)[C@@H](C)OCC)C1 1041633972 ASTSELCPUXBPKK-GFCCVEGCSA-N 314.382 -0.306 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)c2cnc(O)n2C)C1 1041973172 SLEIQPXHHPEZRQ-UHFFFAOYSA-N 308.338 -0.605 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)CCOCC)C1 1042009720 SWHCRSDLBYPWJN-GFCCVEGCSA-N 312.366 -0.859 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)CCc2nc[nH]n2)C1 1042415828 VSPZBHFQNNRITM-UHFFFAOYSA-N 319.365 -0.770 30 20 DBED CCNC(=O)CCC(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042958854 NMTDXPUFOITVLR-UHFFFAOYSA-N 321.377 -0.994 30 20 DBED C=C(C)CCC(=O)NCC1(O)CN(C(=O)CCCC(N)=O)C1 1043315993 SWXGUULWVSITBV-UHFFFAOYSA-N 311.382 -0.312 30 20 DBED N#Cc1nccc(N2C[C@H](O)[C@H](NC(=O)[C@H]3CC3(F)F)C2)n1 1043927727 SAUWQLJPNHXZST-HLTSFMKQSA-N 309.276 -0.331 30 20 DBED CCCN(C)CCC(=O)NCC1(O)CN(C(=O)[C@H](C)C#N)C1 1044291422 QVZBRPMASOPSKU-GFCCVEGCSA-N 310.398 -0.433 30 20 DBED C#CCCN1CC[C@](C)(NC(=O)c2cc(=O)n3[nH]cnc3n2)C1 1046768866 JFLASFWZXROJMX-HNNXBMFYSA-N 314.349 -0.365 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CCC(=O)N2C)C1 1047480784 ROFXSPOJQYGYAF-RDBSUJKOSA-N 307.394 -0.476 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C(N)=O)cn2)C1 1047645036 BKBLJWIJTWFCQA-STQMWFEESA-N 304.350 -0.516 30 20 DBED C#CCOCCC(=O)N(C)[C@H]1CN(C(=O)c2ccc[nH]2)C[C@@H]1O 1048844266 GCMUTRKJNVKVAN-KBPBESRZSA-N 319.361 -0.302 30 20 DBED C=C(C)CCC(=O)N(C)[C@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1O 1048935518 VQNMZDIFLPQHJX-RYUDHWBXSA-N 322.369 -0.941 30 20 DBED C#CCN1C[C@H]2CN(C(=O)C3(S(C)(=O)=O)CCC3)C[C@H]2C1 1049145908 YMNVCIWFQGGCPA-BETUJISGSA-N 310.419 -0.023 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCn2cnnn2)C1 1049316217 IJAPCORUDJIRPJ-RYUDHWBXSA-N 322.369 -0.941 30 20 DBED Cc1ocnc1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)C#N)C1 1049388071 FXEKTCWXRRJYKZ-LSJOCFKGSA-N 306.322 -0.214 30 20 DBED C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1c(O)nnc1O 1049868803 XWJNWLIOHZVKIJ-WDEREUQCSA-N 307.354 -0.059 30 20 DBED C[C@@H]1[C@@H](NC(=O)Cn2cnnn2)CCN1c1ccc(C#N)cn1 1050061547 SFLLFJQZQRGTBJ-PWSUYJOCSA-N 312.337 -0.277 30 20 DBED C[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1CNC(=O)CNC(N)=O 1052558485 CUZQUVRDNNUVOA-VXGBXAGGSA-N 322.409 -0.085 30 20 DBED C=CCn1cc(C(=O)N2CCOC3(CN(CC#N)C3)C2)nn1 1053463718 KKNXPSPXQQMNRN-UHFFFAOYSA-N 302.338 -0.486 30 20 DBED CC#CCN1CC2(CC[C@@H](CNC(=O)[C@H]3COCCO3)O2)C1 1053578437 GNAJKXMFWVLBGO-UONOGXRCSA-N 308.378 -0.225 30 20 DBED COc1c(C(=O)NC[C@H]2CCC3(CN(CC#N)C3)O2)cnn1C 1053690629 PAULEKLZHRJVHP-LLVKDONJSA-N 319.365 -0.085 30 20 DBED N#Cc1ccc(N2C[C@H]3C(NC(=O)[C@H]4CCNC4=O)[C@@H]3C2)nn1 1056354975 CAPPQIGIURWGFH-HBNTYKKESA-N 312.333 -0.965 30 20 DBED N#Cc1cncc(N2C[C@H]3[C@H](NC(=O)[C@@]45COC[C@@H]4C5)[C@H]3C2)n1 1056450612 BUJUMUUSSSQUSV-VTTVJMOASA-N 311.345 -0.064 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H]1CCN(C(=O)[C@@H]2COCCO2)C1 1056556529 DAABCKNGSFYXBO-OCCSQVGLSA-N 302.334 -0.197 30 20 DBED C#CCO[C@H](C)C(=O)NCCN(CCO)C(=O)c1cocn1 1057201451 CODDKTWWPVBYHV-LLVKDONJSA-N 309.322 -0.736 30 20 DBED N#Cc1nccnc1NCC1CCN(C(=O)CC(N)=O)CC1 1057484772 SPQWPBRFPNABOA-UHFFFAOYSA-N 302.338 -0.126 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)CCCn1ccnn1 1057824403 APMMUMHBFOJNSC-LBPRGKRZSA-N 322.369 -0.845 30 20 DBED C=CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)c1cnc(C)[nH]1 1057921776 OXVMVPHJQULTKV-NSHDSACASA-N 324.381 -0.140 30 20 DBED C=CC(C)(C)C(=O)N(CCO)CCNC(=O)c1cn(C)nn1 1058302010 AXRMVXRTBHPDAZ-UHFFFAOYSA-N 309.370 -0.422 30 20 DBED CN1CCOC[C@H]1C(=O)N[C@H]1CCN(c2ccncc2C#N)C1 1058319068 MFOBJGKYBFFSGW-ZFWWWQNUSA-N 315.377 -0.021 30 20 DBED CN(C[C@@H]1CCCN(C(=O)C(N)=O)C1)c1ccnc(C#N)n1 1058702161 JUWPFKLUNXYYPD-JTQLQIEISA-N 302.338 -0.492 30 20 DBED Cc1ccn(CC(=O)N(CCO)CCNC(=O)C#CC(C)C)n1 1058864178 IVGHBYUTTKERBU-UHFFFAOYSA-N 320.393 -0.212 30 20 DBED N#Cc1cccnc1N[C@H]1C[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 1059391590 FJWRGRHEWZDLTN-DCAQKATOSA-N 300.322 -0.306 30 20 DBED C=CCOCC(=O)NC[C@@H]1COCCN1C(=O)CCOC 1061422680 AFXDLUKYBQUSCR-GFCCVEGCSA-N 300.355 -0.431 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)C(C)(C)C(N)=O 1061659585 ZNHAAAXINLSQLV-ZJUUUORDSA-N 310.354 -0.999 30 20 DBED Cc1nn[nH]c1C(=O)NC[C@@H]1COCCN1C(=O)C#CC(C)C 1061745040 ASLXRKLSYACCOO-GFCCVEGCSA-N 319.365 -0.270 30 20 DBED CC(C)C#CC(=O)N1CCOC[C@H]1CNC(=O)C1(C(N)=O)CC1 1061839249 ZZJTXLUSFVOSPF-GFCCVEGCSA-N 321.377 -0.745 30 20 DBED CC(C)(C)C#CC(=O)NC1(CNC(=O)Cn2ncnn2)CCC1 1063147144 VXXGDUPWBWJBCA-UHFFFAOYSA-N 318.381 -0.122 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(C(=O)[C@@H]2CCCO2)CCO1 1064815720 ZCPOJFFKRYVSOB-KGLIPLIRSA-N 306.362 -0.078 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)[C@H](C)OC)CCO1 1064919085 DHROSMHQOJBCBG-NWDGAFQWSA-N 300.355 -0.433 30 20 DBED C=CC(C)(C)CC(=O)NC[C@@H]1CN(C(=O)CC(N)=O)CCO1 1064998841 MOUMZFVNUZJSMJ-LLVKDONJSA-N 311.382 -0.192 30 20 DBED C=C(C)CCC(=O)N1CCO[C@H](CNC(=O)Cn2cnnn2)C1 1065220597 QRVXQLCPTVVQIC-GFCCVEGCSA-N 322.369 -0.627 30 20 DBED N#Cc1nccnc1N1CCOC[C@H]1CNC(=O)c1nc[nH]n1 1066494323 GEROSOISHUDONH-SECBINFHSA-N 314.309 -0.898 30 20 DBED N#Cc1cccnc1N1C[C@H](CNC(=O)c2ccnnc2)[C@@H](O)C1 1067694098 UMPXIXJLAWCTTA-KBPBESRZSA-N 324.344 -0.030 30 20 DBED Cn1cncc1[C@@H]1CN(C(=O)[C@]2(F)CCOC2)C[C@H]1NCC#N 1070682009 FLMACHPTWLZYEX-JMSVASOKSA-N 321.356 -0.044 30 20 DBED C=CCN[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1c1cncn1C 1070702162 OSRYQVYODLYKFB-GHMZBOCLSA-N 301.354 -0.078 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)[C@@H]2C[C@H]2C(=O)OC)CC1 1070945832 BEVROGLTHORRDY-CHWSQXEVSA-N 321.377 -0.921 30 20 DBED C[C@@H](C(=O)N1CCC[C@@H](NC(=O)[C@H](C)C#N)C1)N1CCOCC1 1070966438 WRHMBWANXJNPTN-HZSPNIEDSA-N 322.409 -0.026 30 20 DBED C[C@H]1CN(C(=O)CCc2cnn[nH]2)C[C@]2(CCN(CC#N)C2)O1 1071211585 KIHZVMNBHCQVFV-SWLSCSKDSA-N 318.381 -0.047 30 20 DBED C=CCOCC(=O)N1C[C@H](C)[C@@H](NC(=O)Cn2cnnc2O)C1 1071808905 MUACTUKZGJKYFC-QWRGUYRKSA-N 323.353 -0.851 30 20 DBED C[C@H]1CC[C@@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)CN1CC#N 1071968351 UHKIHBUTKTZLKA-WDEREUQCSA-N 321.381 -0.191 30 20 DBED C#CCN1C[C@H](NC(=O)CN2CC(=O)N(C)C2=O)CC[C@H]1C 1071987262 BROCOCSSQJHLSC-VXGBXAGGSA-N 306.366 -0.517 30 20 DBED C=CCCC(=O)N[C@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@H]1C 1072498934 QBHJLPUPSOBTIM-OLZOCXBDSA-N 322.409 -0.653 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(C(=O)Cc2nc[nH]n2)C[C@H]1C 1072776369 WXMALHAAEKYKOV-VXGBXAGGSA-N 321.381 -0.097 30 20 DBED COCCC(=O)N1CCN(C2CN(C(=O)[C@H](C)C#N)C2)CC1 1073520241 HSTMUCWKRDQPMQ-GFCCVEGCSA-N 308.382 -0.462 30 20 DBED C#CCCCC(=O)N1CC(N2CCN(C(=O)CC(N)=O)CC2)C1 1073555980 TYKOIFKDQHCNHI-UHFFFAOYSA-N 320.393 -0.980 30 20 DBED C=CCN1CC[C@@H](N2C[C@@H](O)[C@H](NC(=O)c3ccco3)C2)C1=O 1076688810 GUYWVPUMQJIXDL-JHJVBQTASA-N 319.361 -0.159 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@]2(C3CCCC3)CCNC2=O)C1 1077164989 DVYWYYQFXUAFIM-CPUCHLNUSA-N 319.405 -0.523 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)c2cc3c(nc2O)CCOC3)C1 1077981715 YOBVCGHRXXBYJQ-ZIAGYGMSSA-N 319.361 -0.179 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2COc3ccccc3O2)C1 1078123281 LJUFQALLRDOBJV-JTNHKYCSSA-N 303.318 -0.489 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)[C@H](C)NC(N)=O)C1 1079668293 YIEUPUVVNPUKEQ-QWRGUYRKSA-N 324.381 -0.859 30 20 DBED C#CCCCC(=O)N(CC)C1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 1079685018 WNWTYCPHXRWAKK-OLZOCXBDSA-N 305.378 -0.029 30 20 DBED C=CCCn1cc(C(=O)N[C@@H]2CN([C@H](C)C(N)=O)C[C@H]2C)nn1 1080585791 LGQVQUGDURPMOI-IJLUTSLNSA-N 320.397 -0.222 30 20 DBED C=CCOCC(=O)N1C[C@H](CNC(=O)c2nc(C)c[nH]2)[C@@H](O)C1 1081519318 FZIYMLGAELTXGJ-RYUDHWBXSA-N 322.365 -0.530 30 20 DBED C#CCCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2nonc2C)C1 1081580410 ODYKVEVHERGRNN-NWDGAFQWSA-N 320.349 -0.269 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cncn2C)C1 1081582096 CUJKVKXMKUTSOG-WCQYABFASA-N 322.365 -0.828 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1cn(C(C)(C)C)nn1 1081778385 VNLKJQDYGSAETB-ZYHUDNBSSA-N 306.370 -0.014 30 20 DBED C#Cc1ccc(C(=O)N2CCCC[C@H]2CNC(=O)C(N)=O)cn1 1082192408 IKOAOLPACGHJEO-ZDUSSCGKSA-N 314.345 -0.341 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@@H]2CCc3nc[nH]c3C2)[C@H](OC)C1 1082311760 ZDVGGVUBKMYYPR-KCPJHIHWSA-N 302.378 -0.037 30 20 DBED C=C(C)CN1C[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)[C@H](OC)C1 1082360420 AKOIBHKDZFPFCA-VXGBXAGGSA-N 324.381 -0.728 30 20 DBED C=CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cn(C)c(=O)n1C 1083285732 CUTNXICATXOFAO-GXTWGEPZSA-N 320.393 -0.175 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCCN(C(C)(C)C)C2=O)C1 1083717959 WCVVWMCESCDHMI-MCIONIFRSA-N 321.421 -0.182 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)c2cnc3c(cnn3C)c2)C1 1083893828 GAVXPXVBELDLIE-KGLIPLIRSA-N 313.361 -0.234 30 20 DBED C[C@H](C(N)=O)N1CC[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)[C@@H]2C1 1084293428 HAXCIYPTGCLBEC-GIPNMCIBSA-N 301.350 -0.094 30 20 DBED C#CCN[C@@H]1CCCCCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 1088428560 WMGNBBRHWYVQBN-OLZOCXBDSA-N 313.423 -0.328 30 20 DBED C=CCN1CC[C@@H](NC(=O)c2nnn(C(C)(C)C)n2)[C@@H](O)C1 1090278440 DPLXLJOIEFISDJ-MNOVXSKESA-N 308.386 -0.221 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2cnc3[nH]nnc3c2)[C@@H](O)C1 1090325388 BFBORLZRUVVNFS-PWSUYJOCSA-N 300.322 -0.849 30 20 DBED Cn1nnc2cc(C(=O)N[C@H]3CCN(CC#N)C[C@@H]3O)ccc21 1090358363 ADZXJNYMBTUKIC-FZMZJTMJSA-N 314.349 -0.343 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(c2ncncc2Cl)C[C@H]1O 1090488513 KTJARFSJZXQJOO-YUSALJHKSA-N 324.768 -0.166 30 20 DBED C=C(C)CCN1CC[C@H](NC(=O)C2CC(=O)NC(=O)C2)[C@H](O)C1 1090641499 QUZDCXBFGZPOQB-QWHCGFSZSA-N 323.393 -0.443 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2c(OC)ccnc2O)[C@H](O)C1 1090730344 KETNEQYMTZTGTR-VXGBXAGGSA-N 319.361 -0.016 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2cnccc2N(C)C)[C@@H](O)C1 1090732305 BJFKUSSHQKIOKK-HIFRSBDPSA-N 302.378 -0.054 30 20 DBED N#Cc1cncc(N[C@H]2C[C@H](CNC(=O)Cn3nccn3)C2)n1 1091482145 FXIPWMAAZWRQKC-XYPYZODXSA-N 312.337 -0.053 30 20 DBED CN(CCOCCN(C)c1cncc(C#N)n1)C(=O)CC(N)=O 1091884393 OESWJBSIGSXZLX-UHFFFAOYSA-N 320.353 -0.865 30 20 DBED Cn1cc(C(=O)N2C[C@H]3CN(CC#N)C[C@@]3(C)C2)c(O)nc1=O 1092270673 ODDHOCDHSNRSLU-BMIGLBTASA-N 317.349 -0.597 30 20 DBED C[C@@H]1CN(c2nccnc2C#N)C[C@H]1CNC(=O)CNC(N)=O 1092321958 NFKYUDXJFDWJQE-NXEZZACHSA-N 317.353 -0.795 30 20 DBED Cc1nsc(N2C[C@H]3C(NC(=O)CNC(N)=O)[C@@H]3C2)c1C#N 1093211919 WLPOXQCEVWUBKE-RKDXNWHRSA-N 320.378 -0.458 30 20 DBED Cc1cc(=NCCNC(=O)C[C@H]2CC(=O)NC2=O)c(C#N)c[nH]1 1093717232 IVHVPLMCIAFQAQ-JTQLQIEISA-N 315.333 -0.736 30 20 DBED C=CCCN1CC(n2cc(CNC(=O)[C@H]3COCCO3)nn2)C1 1094276454 OSSXBYNJVFCWKA-CQSZACIVSA-N 321.381 -0.258 30 20 DBED CNC(=O)NC(C)(C)C(=O)NCCCN=c1cc[nH]c(C#N)n1 1094461804 PUKYVASPDSIFKY-UHFFFAOYSA-N 319.369 -0.604 30 20 DBED N#CCN1CC(N2C[C@H](NC(=O)c3cncnc3)CC2=O)C1 1094726654 VUUZQUZYEUPBKF-LLVKDONJSA-N 300.322 -0.985 30 20 DBED CN(C)C(=O)CC(=O)N1CC[C@H](N(C)c2cncc(C#N)n2)C1 1095157423 SKCADJRKEDUDEE-LBPRGKRZSA-N 316.365 -0.136 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCC(N(CCO)C[C@@H](C)O)CC1 1098354334 SOVYWLAZIMYRRB-CJNGLKHVSA-N 314.426 -0.020 30 20 DBED CC(=O)NCC(=O)N1CCC[C@@H](N(C)c2cnc(C#N)cn2)C1 1098667982 QPOVDJRCCZJACZ-CYBMUJFWSA-N 316.365 -0.088 30 20 DBED C[C@@H](CCNC(=O)C1CS(=O)(=O)C1)Nc1ccc(C#N)nn1 1099520806 IDXDOEDLJXORMI-VIFPVBQESA-N 323.378 -0.300 30 20 DBED COCCCN1CC[C@H](NC(=O)CSCC#N)[C@H](O)C1 1099686126 AXCQILDGADTBTJ-NWDGAFQWSA-N 301.412 -0.169 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)c2ccn(C)c2)[C@@H](O)C1 1099762758 ATEUSOOCSPXULH-KGLIPLIRSA-N 320.393 -0.508 30 20 DBED CC#CCCCC(=O)N[C@H]1CCN(CC(=O)N(C)C)C[C@@H]1O 1099962478 PCFOLEJKOXKLPZ-KBPBESRZSA-N 309.410 -0.180 30 20 DBED CC#CCN1CC[C@@H](NC(=O)COc2cnn(C)c2)[C@H](O)C1 1099972598 ZCFRMIOZUZTBLW-ZIAGYGMSSA-N 306.366 -0.626 30 20 DBED N#CCN1CC[C@@H](NC(=O)CCNC(=O)C2CCC2)[C@@H](O)C1 1100032481 WETADODPFPNEGN-OLZOCXBDSA-N 308.382 -0.632 30 20 DBED Cc1nc(CC(=O)NCCN(C)c2ccc(C#N)nn2)n[nH]1 1100063154 SELPZCALRPLUCH-UHFFFAOYSA-N 300.326 -0.430 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2nonc2C)[C@H](O)C1 1100136888 UIJUHEZCAFCQGE-NWDGAFQWSA-N 308.338 -0.807 30 20 DBED CN(CCNC(=O)CCCn1ccnn1)c1ccnc(C#N)n1 1100179228 PIEHGVNNPJCONA-UHFFFAOYSA-N 314.353 -0.027 30 20 DBED CCc1nc(C#N)cc(N(C)CCNC(=O)CNC(=O)NC)n1 1100377260 SHZKVDXSVWEXBR-UHFFFAOYSA-N 319.369 -0.608 30 20 DBED CCN(CCNC(=O)CCNC(N)=O)c1cncc(C#N)n1 1100529338 WUDJNSFCZOFGAU-UHFFFAOYSA-N 305.342 -0.651 30 20 DBED CCN(CCNC(=O)CC(=O)N(C)C)c1ccc(C#N)nn1 1100743526 GIAWUWIQANBKPO-UHFFFAOYSA-N 304.354 -0.231 30 20 DBED C=CCOCCN1C[C@@H](C)[C@H](CNC(=O)CS(C)(=O)=O)C1 1101783473 WQRHTGHLGKDWQC-CHWSQXEVSA-N 318.439 -0.082 30 20 DBED COCC#CCN1C[C@@H](C)[C@H](CNC(=O)[C@@H]2CCC(=O)N2C)C1 1102241496 WZMQSQDFORSYLD-KFWWJZLASA-N 321.421 -0.059 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H](CC)Nc1nccnc1C#N 1103039191 CXDRBJKNDLBCKQ-LLVKDONJSA-N 314.349 -0.206 30 20 DBED Cc1c(C(=O)NC[C@@H](C)CN=c2cc[nH]c(C#N)n2)nnn1C 1103888339 IGDBOWFWOLNLQL-VIFPVBQESA-N 314.353 -0.315 30 20 DBED CC(=O)N1CC(C(=O)N(C)[C@@H](C)CN=c2cc[nH]c(C#N)n2)C1 1104538688 VNYSSDTYWLDZQO-JTQLQIEISA-N 316.365 -0.493 30 20 DBED C[C@H](CNc1cnc(C#N)cn1)N(C)C(=O)Cn1cncn1 1104570680 RUQXICOCCOIANN-SNVBAGLBSA-N 300.326 -0.101 30 20 DBED CC(C)C[C@@H](CNc1cnc(C#N)cn1)NC(=O)CNC(N)=O 1104907032 VTXCZVVJFJVMQT-JTQLQIEISA-N 319.369 -0.041 30 20 DBED C[C@@H]1COCC[C@H]1C(=O)N1CC(n2cc(CNCC#N)nn2)C1 1105322679 ZPPAGSGNIKKUFA-BXUZGUMPSA-N 318.381 -0.053 30 20 DBED Cc1cc(C#N)nc(N(C)CCN(C)C(=O)[C@@H]2CNC(=O)N2)n1 1105541394 XZMDQIZNMPEXPO-NSHDSACASA-N 317.353 -0.767 30 20 DBED COC(=O)c1nc(=NC[C@@H](O)CNC(=O)C#CC(C)C)cc[nH]1 1105809621 FWFLLVILMAWQQC-LLVKDONJSA-N 320.349 -0.767 30 20 DBED N#Cc1cncc(NC[C@H](O)CNC(=O)[C@@H]2CCCCO2)n1 1105819684 IRUUYIYYRQHUBL-RYUDHWBXSA-N 305.338 -0.194 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)CCCC(N)=O)cn1 1105882953 OHRCCAYYJLPALB-LBPRGKRZSA-N 305.338 -0.502 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)C[C@@H]2CCC(=O)N2)cn1 1105894873 WQKOBZIFJFQWEW-GXFFZTMASA-N 317.349 -0.489 30 20 DBED CCCN(C)CC(=O)NC[C@@H](O)CNc1ccc(C#N)nn1 1105909299 GPLGHCNHKQRCTB-LBPRGKRZSA-N 306.370 -0.421 30 20 DBED COCCO[C@H](C)C(=O)NC[C@@H](O)CNc1ccc(C#N)cn1 1105962152 CEOYMMYNJTZNRC-YPMHNXCESA-N 322.365 -0.106 30 20 DBED N#CCSCC(=O)NC/C=C/CNc1nccn2nnnc12 1107049582 UFXDWFJOAYCKFX-OWOJBTEDSA-N 318.366 -0.140 30 20 DBED N#Cc1c[nH]ccc1=NC/C=C/CNC(=O)[C@@H]1CCCNC1=O 1107389210 HLHHFXCBJKBIAM-AORQRIRUSA-N 313.361 -0.014 30 20 DBED CC(=O)NCC(C)(C)C(=O)N[C@H](C)CN=c1cc[nH]c(C#N)n1 1107822386 PUWHKPIWUSEMHO-SNVBAGLBSA-N 318.381 -0.151 30 20 DBED C[C@H](CNc1ccc(C#N)nc1)NC(=O)CCn1cnnn1 1107890960 BPWGLQAGQHVWEX-SNVBAGLBSA-N 300.326 -0.053 30 20 DBED C[C@H]1CC(=O)N[C@@H](C(=O)NC[C@@]2(C)CN(CC#N)CCO2)C1 1107951172 IRTJYXPQSNOMPD-JMSVASOKSA-N 308.382 -0.368 30 20 DBED C[C@H](CNc1nccnc1C#N)NC(=O)[C@H]1CCCNC1=O 1107990596 YIBOJVUHLVSVBU-ZJUUUORDSA-N 302.338 -0.209 30 20 DBED C[C@@]1(CNC(=O)c2ccc3nnnn3c2)CN(CC#N)CCO1 1108069779 ITHXVIAGTYOQTI-CQSZACIVSA-N 315.337 -0.531 30 20 DBED C=CCCN1CC(N2C[C@@H](NC(=O)CCNC(N)=O)CC2=O)C1 1108590611 NJLFLUODWHYSFA-NSHDSACASA-N 323.397 -0.978 30 20 DBED C[C@@H](CNc1ccc(C#N)nc1)NC(=O)[C@H]1CN(C)C(=O)N1 1108636331 ZBSNMYBJIZHZCT-JOYOIKCWSA-N 302.338 -0.107 30 20 DBED C[C@@H](CNc1ncccc1C#N)NC(=O)[C@@H]1CC(=O)NC(=O)N1 1108720546 OIAMGUFGPWAZTM-WPRPVWTQSA-N 316.321 -0.532 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cn1cccn1 1108924671 RZERLHQHBJCDRM-RDBSUJKOSA-N 315.377 -0.646 30 20 DBED C[C@@H](CN(C)c1ccc(C#N)nc1)NC(=O)[C@H]1CN(C)C(=O)N1 1109193179 BTELWAVIXLRNEE-GXFFZTMASA-N 316.365 -0.082 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)N(C)C 1109266978 KEWJNFAXOGZAAO-CRWXNKLISA-N 307.394 -0.166 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1[C@H]2C[C@H]1N(c1nccc(C)n1)C2 1109703854 FNBJDTJCEAMXPL-ZOWXZIJZSA-N 313.361 -0.382 30 20 DBED C=CCCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C[C@H](NC(C)=O)C(N)=O 1109808414 GLPDXAIVAKUCRW-RFGFWPKPSA-N 322.409 -0.336 30 20 DBED C=CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CC[C@@H]1NC(=O)NC1=O 1110078656 XKWDQSNJPLQLHK-RHYQMDGZSA-N 306.366 -0.118 30 20 DBED C=CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CNS(=O)(=O)CC 1110618893 HFEYZLRIHRHDLJ-UTUOFQBUSA-N 301.412 -0.167 30 20 DBED C[C@]1(NC(=O)CNC(N)=O)CCN(c2cnc(C#N)cn2)C1 1110708543 FIXKIKCOCRKNIE-ZDUSSCGKSA-N 303.326 -0.898 30 20 DBED C=CCNC(=O)NC(=O)CN1CCN(C(=O)[C@H](C)OC)CC1 1112653087 ZWMFYHPEDHZQPQ-NSHDSACASA-N 312.370 -0.823 30 20 DBED Cc1nc(CC(=O)N[C@@H](C)[C@H](C)N=c2cc[nH]c(C#N)n2)n[nH]1 1113003902 HQTAXTYBTBNFMI-IUCAKERBSA-N 314.353 -0.256 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)c3cc(C)nn3C)[C@@H]2C1 1113943375 WRWDMMWJTZLZAM-VXGBXAGGSA-N 315.377 -0.862 30 20 DBED C#CCO[C@H](C)C(=O)NC1[C@@H]2CN(Cc3ncnn3C)C[C@@H]12 1114271032 OCHDNNAMTBNQOQ-IJLUTSLNSA-N 303.366 -0.600 30 20 DBED C=CCOCCN1C[C@H]2[C@H](NC(=O)CCS(C)(=O)=O)[C@H]2C1 1114478498 WZTQZYSLPVAMOP-IMRBUKKESA-N 316.423 -0.330 30 20 DBED C=CCOCCN1C[C@H]2C(NC(=O)C[C@@H]3CC(=O)NC3=O)[C@@H]2C1 1115360844 ORSMKBLWSKMXJJ-IJLUTSLNSA-N 321.377 -0.712 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)NC1CCN(C(C)=O)CC1 1119060654 QNFNXFJDMBOBNR-ZDUSSCGKSA-N 323.393 -0.342 30 20 DBED C[C@H](CN(C)C(=O)[C@@H]1CN(C)C(=O)N1)N=c1cc[nH]cc1C#N 1120409221 PXHYWXXOZFFGQP-MFKMUULPSA-N 316.365 -0.342 30 20 DBED CN(C)CCC(=O)NC1CC2(CC(NCC(=O)NCC#N)C2)C1 1121696450 SQUVHHRERPQNHO-UHFFFAOYSA-N 321.425 -0.405 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)CCc2cnn[nH]2)nc1 1122586216 WVHPBFWFSPQZRS-GFCCVEGCSA-N 315.337 -0.407 30 20 DBED N#Cc1nc(=N[C@@H](CO)CNC(=O)[C@H]2CC23CCC3)cc[nH]1 1122630518 XXDYFWCMPXVEJN-GHMZBOCLSA-N 301.350 -0.151 30 20 DBED CN(CC(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1)C1CCC1 1122740557 IDEMOCJRLKZBFH-NSHDSACASA-N 318.381 -0.857 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)c2snnc2C)C1=O 1123387894 NSKHDWMULRDNHK-SNVBAGLBSA-N 309.395 -0.047 30 20 DBED CN(C[C@@H](O)CNc1ccc(C#N)nn1)C(=O)c1nc[nH]n1 1124460553 OLVHGTBRRQBWGY-VIFPVBQESA-N 302.298 -0.989 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C[C@@H](O)CNc1nccnc1C#N 1124520422 SLVUXHYTELQPDH-RYUDHWBXSA-N 317.349 -0.382 30 20 DBED COC[C@@H](C)C(=O)N(C)C[C@H](O)CN(C)c1ccnc(C#N)n1 1124989647 YVGNJIOBAXTMNP-VXGBXAGGSA-N 321.381 -0.114 30 20 DBED CN(C[C@@H](O)CN(C)c1ccnc(C#N)n1)C(=O)[C@H]1CCOC1 1124995546 STAVGLAMGKXEHX-RYUDHWBXSA-N 319.365 -0.360 30 20 DBED N#Cc1nccc(N2CCC(C3(NC(=O)C(N)=O)CC3)CC2)n1 1127141010 UAOOVTZZATXAPO-UHFFFAOYSA-N 314.349 -0.301 30 20 DBED N#CCN1CCn2ncc(CNC(=O)C[C@H]3CCNC3=O)c2C1 1128376517 IQFRLINSNOKXFN-LLVKDONJSA-N 316.365 -0.635 30 20 DBED C#CCC1(C(=O)NCCNCCCN2C(=O)CNC2=O)CCC1 1129124954 HPJPGEBGAVJKMQ-UHFFFAOYSA-N 320.393 -0.172 30 20 DBED C[C@@H](C#N)C(=O)NCc1nc([C@H]2CC[C@@H](CNCCO)O2)n[nH]1 1130770209 XPCXRLNKVXRJHA-GARJFASQSA-N 322.369 -0.617 30 20 DBED C=CCCCC(=O)N1CCC(=O)NCCN(CC(N)=O)CC1 1131378509 BXNPJBHJTQJFNL-UHFFFAOYSA-N 310.398 -0.522 30 20 DBED CC(=O)N(C)CC(=O)N1C[C@H](C)O[C@]2(CCN(CC#N)C2)C1 1131639328 UDKYTJVBEVQWKX-WFASDCNBSA-N 308.382 -0.320 30 20 DBED C[C@@H]1CC[C@H](NC(=O)c2cn(C)cn2)CN1CC(=O)NCC#N 1131967536 FGUBCSNAENOERG-NEPJUHHUSA-N 318.381 -0.357 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CC[C@H](C)N(CC(=O)NC(N)=O)C1 1132021216 LKXYKTKMTCSAHQ-NWDGAFQWSA-N 308.382 -0.190 30 20 DBED Cc1c[nH]nc1C(=O)N[C@H]1CC[C@@H](C)N(CC(=O)NCC#N)C1 1132021937 SCKXLFHCIROLKF-NEPJUHHUSA-N 318.381 -0.059 30 20 DBED C#CCNC(=O)CN1C[C@H](NC(=O)c2cnn(C)n2)CC[C@@H]1C 1132342663 CVZMOYRCGWKUJO-NWDGAFQWSA-N 318.381 -0.853 30 20 DBED C#CCNC(=O)CNC[C@H]1CN(C(=O)CC(C)(C)O)CC[C@H]1C 1132782058 INXXGZCLNZOCLK-KGLIPLIRSA-N 323.437 -0.029 30 20 DBED COCC(=O)NCCC(=O)N1CC[C@H](C)[C@@H](CNCC#N)C1 1132875513 ZMAJTOQLUBOZIT-STQMWFEESA-N 310.398 -0.263 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CCCc2nn[nH]c21 1132997780 LOCIHJYJMDYUGI-GHMZBOCLSA-N 320.397 -0.379 30 20 DBED C=CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)c1cc(=O)n(C)o1 1134219347 LQUNJNOIBOGKLQ-MNOVXSKESA-N 324.381 -0.233 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)C(C)(C)C(N)=O 1134658696 WQIJCUHLMNOMQZ-MNOVXSKESA-N 310.398 -0.880 30 20 DBED C#CCCN[C@H](C)C[C@@H](C)NC(=O)c1cnc(O)n(C)c1=O 1135167485 UYHXXIINRRCXSU-GHMZBOCLSA-N 306.366 -0.004 30 20 DBED Cc1nc[nH]c1C(=O)N[C@H](C)C[C@@H](C)NCC(=O)NCC#N 1146814188 PHKYRWJULAHCIO-NXEZZACHSA-N 306.370 -0.156 30 20 DBED C#CCOCCC(=O)N1CC2(CCN(Cc3nnn(C)n3)C2)C1 1147530014 DLHSQEADEXNUPF-UHFFFAOYSA-N 318.381 -0.716 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)C(C)(C)c1cnc[nH]1 1147907984 NQTCUWLRJSGENW-LLVKDONJSA-N 305.382 -0.469 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCCO[C@H](CNC(=O)C2CC2)C1 1148941340 KFGHOYITRSUXPJ-TZMCWYRMSA-N 307.394 -0.259 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)CNC(=O)C(C)(C)C 1150840214 ZYUIEIPTBFELMN-NSHDSACASA-N 312.414 -0.455 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H](C)N(CC)Cc1cnn(C)n1 1152854935 OQDBABPYHPEELY-GFCCVEGCSA-N 320.397 -0.719 30 20 DBED C=CCC[C@H](C)NCCCNC(=O)Cn1cnc(C(N)=O)n1 1158336933 DZXIEXJBDAWNAO-NSHDSACASA-N 308.386 -0.172 30 20 DBED C=CCNC(=O)CN1CC=C(CCNC(=O)CNC(N)=O)CC1 1159205957 HERSIHYJMNKMMI-UHFFFAOYSA-N 323.397 -0.905 30 20 DBED C#CCNC(=O)CNCC1(CCNC(=O)c2cn[nH]c2)CC1 1163573774 SXZFPLYTZURWBK-UHFFFAOYSA-N 303.366 -0.351 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCCCN[C@@H](C)c1nnnn1C 1166986395 GZGGKZKBKPVDQT-TUAOUCFPSA-N 308.386 -0.042 30 20 DBED Cc1nonc1C(=O)NCCC1(CNCC(=O)NCC#N)CC1 1168519569 KGUFTIWKNOHUJX-UHFFFAOYSA-N 320.353 -0.493 30 20 DBED N#CCNC(=O)CNCCCNC(=O)c1ncoc1C1CC1 1170171431 HCPSBOLWELDERL-UHFFFAOYSA-N 305.338 -0.099 30 20 DBED C#CCNC(=O)CNCCCC[C@@H](C)NC(=O)Cc1cnc[nH]1 1175460131 CPNSPQLOFALEBS-CYBMUJFWSA-N 319.409 -0.034 30 20 DBED C[C@H]1[C@@H](NCc2nnnn2C)CCN1C(=O)CSCC#N 1178148195 QRQSKABWQPCPMV-UWVGGRQHSA-N 309.399 -0.454 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)C2=COCCO2)C1 1180780910 XADYPOQPVKZPHH-VXGBXAGGSA-N 309.366 -0.244 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2ccncc2F)C1 1181793988 ZMDPGEMNTJWAIG-LLVKDONJSA-N 304.325 -0.226 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)c2cc(COC)on2)C1 1186145978 VCQWEBBRHVHOFE-LLVKDONJSA-N 322.365 -0.073 30 20 DBED C#CCNC[C@H]1CN(C(=O)[C@H]2CCNC2=O)CC12CCOCC2 1186445032 KVLFPHKBZYVLIA-KBPBESRZSA-N 319.405 -0.400 30 20 DBED C=CCOCCN[C@@H]1CCN(C(=O)c2nccnc2C(N)=O)C1 1187684924 TYDIVLDHHHEQEN-LLVKDONJSA-N 319.365 -0.418 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@@H]1CCN(C(=O)c2ncn(C)n2)C1 1189983241 HAURISWJJFVSBU-VXGBXAGGSA-N 318.381 -0.901 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)c2ccoc2C)C1 1190905322 SHFWVZZQPBUEDO-ZLKJLUDKSA-N 319.361 -0.499 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CN3CCC2CC3)C1 1193015342 BVIYQEKZWAEFFN-ARFHVFGLSA-N 321.421 -0.861 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)Cc2cnc(C)o2)C1 1193729395 YSXLUZCNRWRRPF-ZIAGYGMSSA-N 309.366 -0.111 30 20 DBED Cc1cc(C(=O)N2CCCN(CC(=O)NCC#N)CC2)on1 1194819720 VGADNBIYTDWORI-UHFFFAOYSA-N 305.338 -0.229 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)CS(=O)(=O)C(C)C)C1 1198736614 ZAGGTBUDZCLEMS-VXGBXAGGSA-N 304.412 -0.453 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2cn(CC)nn2)C[C@H]1O 1199317749 BQIHHYFJPBALLR-IACUBPJLSA-N 323.397 -0.450 30 20 DBED C[C@H](NC[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCCO1)C(N)=O 1200199158 FEIBLVAQWVIYTG-CMPLNLGQSA-N 319.365 -0.419 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)[C@@H]2[C@H]3COC[C@H]32)CCCO1 1201205877 SSZYUAPGZKXBBW-WCVJEAGWSA-N 322.405 -0.264 30 20 DBED C=CCn1cc(C(=O)N2CCCO[C@@H](CNCCOC)C2)nn1 1201585584 RHGVZJVDDZKKQD-ZDUSSCGKSA-N 323.397 -0.069 30 20 DBED C#CCNC[C@@H]1CN(C(=O)c2ccc(C(N)=O)nc2)CCCO1 1202227674 UBBUHGKSGVFBIR-CYBMUJFWSA-N 316.361 -0.366 30 20 DBED C#CCNC(=O)CN[C@@H]1C[C@H](NC(=O)c2cn[nH]c2)C12CCC2 1202489992 PJJKVDVTFPTWGM-OLZOCXBDSA-N 315.377 -0.210 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)Cc2[nH]cnc2C)CC1 1203494214 NAZLFGITNWJYCG-UHFFFAOYSA-N 317.393 -0.409 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2nnnn2C)C[C@H]1C 1206964010 UOIDCVPVLVOYNP-IJLUTSLNSA-N 306.370 -0.815 30 20 DBED Cc1cc(CC(=O)N2CCC[C@H](NCC(=O)NCC#N)C2)no1 1207698566 UAKVJDXAXCSDIU-LBPRGKRZSA-N 319.365 -0.254 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)c2cncn2C)C1 1208504630 KQNCYLYLEHQKFD-LBPRGKRZSA-N 305.382 -0.084 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(C/C=C/Cl)C[C@H]1OC 1212152730 ZIHIXCXWAVJOAD-GKUNOOHESA-N 313.785 -0.306 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)Cn2ccnc2)C[C@H]1C 1217010705 UAEIJSXWZAROEO-MGPQQGTHSA-N 317.393 -0.543 30 20 DBED COC[C@@H](O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)C#CC(C)(C)C 1217844371 ULMOWZOBXSUVSC-SOUVJXGZSA-N 324.421 -0.045 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)CCc2ccco2)C1 1219178828 PHIUJYVXBYZVFB-KGLIPLIRSA-N 319.361 -0.877 30 20 DBED C#CCCCCC(=O)N[C@@H]1CN(CCS(C)(=O)=O)C[C@@H]1O 1219482395 ZBHRRSOJROXISG-OLZOCXBDSA-N 316.423 -0.614 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2cnsn2)C[C@@H]1O 1219605707 ZXRYRMZPLRXGIO-WCQGTBRESA-N 310.379 -0.762 30 20 DBED C=CCCCC(=O)N[C@@H]1CN([C@@H](C)C(=O)NC(N)=O)C[C@@H]1O 1220249392 HAYRZCXSPLRKNS-AXFHLTTASA-N 312.370 -0.913 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@@H](C)Cc2c(C)n[nH]c2C)C1 1221010099 YCCQIYNJQZTDMQ-VQISRLSMSA-N 304.394 0.000 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2cn(C)nn2)C[C@@H]1O 1221143961 YAYCSXASFCMZGI-UHTWSYAYSA-N 309.370 -0.933 30 20 DBED COCC#CCN1CC[C@@H]2CN(C(=O)Cn3nccn3)[C@@H]2C1 1221576956 SQTIEVJSJHSJFF-ZIAGYGMSSA-N 303.366 -0.539 30 20 DBED CC#CCN1CC[C@@H]2CN(C(=O)CS(=O)(=O)N(C)C)[C@@H]2C1 1221988861 JEZHBXIMYQAJBN-CHWSQXEVSA-N 313.423 -0.566 30 20 DBED C[C@@H](C#N)C(=O)NCC1CCN([C@@H](C)C(=O)NC(N)=O)CC1 1222663594 BQKXHUPOJSBLND-UWVGGRQHSA-N 309.370 -0.442 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C[C@H]1CCN1Cc1nnnn1C 1234216481 YEWKTDROPHIGOS-NWDGAFQWSA-N 306.370 -0.719 30 20 DBED C#CCSCCNC(=O)C(=O)N[C@H](COC)[C@@H]1CCCO1 1261092847 QXBWVXZSASWNFZ-NEPJUHHUSA-N 314.407 -0.221 30 20 DBED C[C@@H]1CN2CCN1C[C@@H]2C(=O)NCCNc1ccc(C#N)cn1 1263706765 MTRYCCKKGFQOJE-TZMCWYRMSA-N 314.393 -0.130 30 20 DBED C=C[C@H](COC)NC(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 1320312489 NFAWWFZQQWJEDC-XMKDAVRRSA-N 322.361 -0.144 30 20 DBED C=CCOC[C@@H](NC(=O)c1ccoc1CC(N)=O)C(=O)OC 1321950611 SYPXCDKXKXAXFC-SNVBAGLBSA-N 310.306 -0.219 30 20 DBED C[C@@H]1CN(C(=O)C(=O)NCc2ccc(C#N)cc2)C[C@@H](CO)O1 1322161333 DSIYWIYGUHIDDC-RISCZKNCSA-N 317.345 -0.217 30 20 DBED N#C[C@@]1(F)CCN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 1323618314 XYJLJDNVTXMFOF-LBPRGKRZSA-N 324.272 -0.628 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)NC[C@H]1CCCS1 1323698697 DYWCINVVKGNOBB-SNVBAGLBSA-N 320.436 -0.285 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCN(C)C1=O 1324167432 QFJNSVHWBSENDT-WOPDTQHZSA-N 309.366 -0.569 30 20 DBED Cc1cc(NC(=O)C(=O)NCC(C)(C)C(N)=O)ncc1C#N 1326780273 HZFUYPMRIDJJFH-UHFFFAOYSA-N 303.322 -0.172 30 20 DBED C[C@H]1CN(C(=O)C(=O)N2CCO[C@H](C#N)C2)CC2(CCC2)O1 1327024648 OWQLFLGVTDJUMZ-NWDGAFQWSA-N 307.350 -0.093 30 20 DBED N#CCC1(CNC(=O)C(=O)N2CC[C@H]3NC(=O)CC[C@H]3C2)CC1 1329077360 SHEVHFSFNFBCSB-NWDGAFQWSA-N 318.377 -0.076 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)NC[C@@H]1CCCNC1=O 1331528540 NWSVWAHRTKPQLT-RYUDHWBXSA-N 309.366 -0.827 30 20 DBED Cn1cnc(CNC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1 1333894349 IDDKXZXNYYJFAP-ZDUSSCGKSA-N 316.365 -0.765 30 20 DBED C=C(C)Cn1nnnc1N1CCN(C(=O)CN2CCCC2)CC1 1334454770 UDMIXAGSYQMYLZ-UHFFFAOYSA-N 319.413 -0.006 30 20 DBED C=CCn1cc(Cn2nnnc2N2C[C@@H]3[C@@H](CO)[C@@H]3C2)nn1 1337678959 IDRSTDYUAYOJHV-GDNZZTSVSA-N 302.342 -0.827 30 20 DBED CCNC(=O)CN1CCN(c2nnc(CCCC#N)n2C)CC1 1338563068 ZGCGWEXHXRQABL-UHFFFAOYSA-N 319.413 -0.081 30 20 DBED C[C@@H](CNC(=O)C(=O)N1CCO[C@H](C#N)C1)Cn1cccn1 1340710777 SFYYOZCAAQRIIE-NWDGAFQWSA-N 305.338 -0.614 30 20 DBED COC[C@@H](C)CC(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1 1341899074 PNHXAAUTODABOH-WDEREUQCSA-N 316.379 -0.375 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CCC[C@H](OCCO)C1 1343080707 PKQFIYSLCKCXCQ-NEPJUHHUSA-N 300.355 -0.697 30 20 DBED CCOC(=O)C[C@H](C)CNC(=O)C(=O)N1CCO[C@H](C#N)C1 1343261713 FNLJTYJZLOWSHS-WDEREUQCSA-N 311.338 -0.557 30 20 DBED C=C(CC)CNC(=O)C(=O)NCCNS(=O)(=O)NC(C)C 1345389288 YIGWPRCXOSJKKD-UHFFFAOYSA-N 320.415 -0.983 30 20 DBED C#CCOCCNC(=O)C(=O)N(CCOC)Cc1cccnc1 1346542648 HENHABABIZINBU-UHFFFAOYSA-N 319.361 -0.177 30 20 DBED CCNC(=O)C(C)(C)CNC(=O)C(=O)N1CC[C@](O)(CC#N)C1 1349228450 VSHSFHXZXUVQOB-OAHLLOKOSA-N 324.381 -0.858 30 20 DBED COC(=O)C1(C#N)CCN(C(=O)Cn2cc(C(C)=O)nn2)CC1 1361383492 ZLIRTTJWLMGYII-UHFFFAOYSA-N 319.321 -0.214 30 20 DBED N#Cc1cn(CC(=O)NC[C@@H]2CCC[C@H](O)C2)c(=O)nc1O 1362333594 RPKQESYAUBWNJR-KOLCDFICSA-N 306.322 -0.512 30 20 DBED Cn1c(=O)[nH]c(N2CCN(C(=O)C3CC3)CC2)c(C#N)c1=O 1364145131 AIIQMXMTSCGSID-UHFFFAOYSA-N 303.322 -0.996 30 20 DBED Cn1c(=O)[nH]c(N2CC[C@H]3NC(=O)CC[C@H]3C2)c(C#N)c1=O 1364208563 HXHYFPHMKABWGB-WCBMZHEXSA-N 303.322 -0.950 30 20 DBED CC(=O)N1CCC(CNC(=O)NCCn2cnc(C#N)n2)CC1 1365325256 PVOAMIGEWQNSMC-UHFFFAOYSA-N 319.369 -0.293 30 20 DBED C=C(Cl)CN1CC(O)(CNC(=O)Cn2ccccc2=O)C1 1368321268 CDDCBNDZPWGZBZ-UHFFFAOYSA-N 311.769 -0.236 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](C1CC1)N(C)C(=O)Cn1ncnn1 1370407093 NHOSQBOODVZKOM-ONGXEEELSA-N 305.342 -0.814 30 20 DBED C=C(Cl)CN1CC(CNC(=O)[C@H](C)NS(C)(=O)=O)C1 1373534499 DMCUGVVCRZGARF-VIFPVBQESA-N 309.819 -0.275 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCN(C)C(=O)[C@H]1CCS(=O)(=O)C1 1376336305 CHFXLDRCZAXJJB-QWRGUYRKSA-N 315.395 -0.502 30 20 DBED COC(=O)NCC(=O)NC[C@@H](C)N(C)C(=O)c1cc(C#N)c[nH]1 1395053255 WYNJDQNDRHEBGL-SECBINFHSA-N 321.337 -0.181 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](NC(=O)CCCn2cncn2)C1 1396959215 ZBOZYWRPZWVGFZ-NWDGAFQWSA-N 304.354 -0.065 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](C)NC(=O)COCc1ccnn1C 1399997781 KCWNHYMITYMZCO-WDEREUQCSA-N 307.354 -0.283 30 20 DBED C=C(Cl)CNC1(CNC(=O)Cn2cnc(C(N)=O)n2)CC1 1401947537 MFRCGDRLHTZMRD-UHFFFAOYSA-N 312.761 -0.632 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](C)CNC(=O)CN1CCCNC1=O 1409719316 PPGVKFGIJIVMLB-QWRGUYRKSA-N 309.370 -0.570 30 20 DBED CC[C@@](C)(CC(=O)OC)NC(=O)Cn1cc(C#N)c(O)nc1=O 1411864471 UGWWUGICFIPJGH-AWEZNQCLSA-N 322.321 -0.331 30 20 DBED CNS(=O)(=O)C[C@H]1CCCN1S(=O)(=O)CC(C)(C)C#N 1414257771 OVVPGAJMOSFGDB-SNVBAGLBSA-N 323.440 -0.120 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C(=O)CCn1cnnn1)C1CC1 1415880645 FZGHYZXMYMGUPT-JTQLQIEISA-N 305.342 -0.670 30 20 DBED CCN(CCC#N)C(=O)CN1CC(N2CCN(C(C)=O)CC2)C1 1422095307 VMNOMXZEHMOADX-UHFFFAOYSA-N 321.425 -0.403 30 20 DBED COCCN(CCNC(=O)[C@H](C)C#N)C(=O)[C@@H]1CCN(C)C1 1426072040 PUVGQMXBGYGIEI-CHWSQXEVSA-N 310.398 -0.311 30 20 DBED C[C@H](CNC(=O)Cc1nc[nH]n1)NC(=O)c1ccc(C#N)[nH]1 1431626555 JBURNHXLBDFAOH-MRVPVSSYSA-N 301.310 -0.518 30 20 DBED CCN(CCNC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)[C@@H](C)C#N 1449450033 RVGOAFOPAASACR-WDEREUQCSA-N 315.395 -0.455 30 20 DBED CN1CC[C@@H]2CN(S(=O)(=O)N3CCO[C@H](C#N)C3)C[C@@H]21 1475317821 ZOXLBOGSMMFJIM-UTUOFQBUSA-N 300.384 -0.909 30 20 DBED C=C(Br)CNC[C@H](O)CN(C)C(=O)CNC(C)=O 1486256220 AWKLGRWDVRLPTK-JTQLQIEISA-N 322.203 -0.560 30 20 DBED CC(C)N(CC(=O)O)C(=O)CCn1cc(C#N)c(O)nc1=O 1573519728 UIPJVDOTUHXUIX-UHFFFAOYSA-N 308.294 -0.468 30 20 DBED C[C@H](O)C[C@H]1COCCN1c1cnc(C#N)c(-c2nn[nH]n2)n1 1575479555 DTEIJOWXMDLKKB-IUCAKERBSA-N 316.325 -0.496 30 20 DBED C[C@H]1[C@@H](C)N(c2cnc(C#N)c(-c3nn[nH]n3)n2)CC[S@]1=O 1575871039 XYYDUAKKTDKFMD-OZDLCJKSSA-N 318.366 -0.126 30 20 DBED C[C@H]1CC[C@H](C(N)=O)CN1c1cnc(C#N)c(-c2nn[nH]n2)n1 1576101473 SJBLMAMDKVVMNM-YUMQZZPRSA-N 313.325 -0.381 30 20 DBED CNC(=O)[C@H]1CCC[C@@H]1Nc1cnc(C#N)c(-c2nn[nH]n2)n1 1579386257 FOVRMEHQGIEMSO-YUMQZZPRSA-N 313.325 -0.145 30 20 DBED C#CCN(CC#C)C(=O)C(=O)Nc1cnn(C(C)(C)C(=O)O)c1 1588464843 PDOVQEGHCPVRTF-UHFFFAOYSA-N 316.317 -0.264 30 20 DBED C#Cc1cccc(NC(=O)C(=O)N2C[C@@H](C(=O)O)C[C@@H](O)C2)c1 1588523907 XXSZPNDQALQURG-WCQYABFASA-N 316.313 -0.100 30 20 DBED C=CCNCc1cn(C2CN(C(=O)[C@H]3C[C@H]3C(=O)O)C2)nn1 1588847887 QIBHEQHKWJVRCY-NWDGAFQWSA-N 305.338 -0.342 30 20 DBED C[C@@H]1C[C@H](C(=O)O)CN(S(=O)(=O)N2CCO[C@@H](C#N)C2)C1 1589282396 QDMWLYVCXUGNPW-VWYCJHECSA-N 317.367 -0.502 30 20 DBED CN1C[C@@H]2CN(c3cnc(C#N)c(-c4nn[nH]n4)n3)C[C@]2(C)C1 1591196071 CEOAILPARXXMFN-OTYXRUKQSA-N 311.353 -0.084 30 20 DBED C[C@@H]1[C@H](C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[nH]2)CCN1C 1591758986 YFKVDJAMIYUZPF-RNFRBKRXSA-N 301.314 -0.260 30 20 DBED Cn1ccc(CCC(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[nH]2)n1 1592578742 CZDVSLIBZREJJI-UHFFFAOYSA-N 312.297 -0.234 30 20 DBED C#C[C@H](CO)NC(=O)[C@@H](C#N)Cc1ccc(-c2nn[nH]n2)cc1 1602687587 CTBOEEZWPMXUSU-CHWSQXEVSA-N 310.317 -0.341 30 20 DBED CC(C)(C)n1nnnc1Cn1c(N)nc(C#N)c1-c1nn[nH]n1 1609083187 ZFERULMWMIKANO-UHFFFAOYSA-N 314.317 -0.693 30 20 DBED CC(C)S(=O)(=O)CCNC(=O)NCCn1cnc(C#N)n1 1645790961 BQBKKLIJCQJLJN-UHFFFAOYSA-N 314.371 -0.728 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)NC[C@H]1CCCS(=O)(=O)C1 1649798312 BEHQCDGTWNGBJB-GHMZBOCLSA-N 323.440 -0.120 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)CCCNC(=O)c1cncn1C 1752012699 KBCJRWQGVNWXMA-GFCCVEGCSA-N 305.382 -0.390 30 20 DBED C#CCN1CCC(C(=O)NCCCN(CC(N)=O)C2CC2)CC1 1752294464 XRBLSKRZLRAFJL-UHFFFAOYSA-N 320.437 -0.212 30 20 DBED C#CCNC(=O)CN(C)CCNC(=O)c1cnn2ncccc12 1753051573 IVIJLCUNRBMYRB-UHFFFAOYSA-N 314.349 -0.860 30 20 DBED C#CCN[C@H](C)C1CCN(C(=O)CCNC(=O)COC)CC1 1753275569 RVEAXLVAYYJYNB-CYBMUJFWSA-N 309.410 -0.011 30 20 DBED C=CCNC(=O)CN1CC(NC(=O)c2cnn3ncccc23)C1 1753378769 VTSKKMCFXBYHID-UHFFFAOYSA-N 314.349 -0.555 30 20 DBED CNC(=O)c1cccc(C(=O)NC2CN(CC#CCOC)C2)n1 1753391693 AWZGSEYWHHCYNE-UHFFFAOYSA-N 316.361 -0.495 30 20 DBED C#CCNC(=O)[C@H](C)N1CC(CNC(=O)[C@H](C)NC(=O)CC)C1 1753402669 AOOJIVSOAVPMKQ-RYUDHWBXSA-N 322.409 -0.913 30 20 DBED COc1cc(C(=O)NCC2CN(CC(=O)NCC#N)C2)sn1 1753403513 YGMFVBZBBGPHEH-UHFFFAOYSA-N 323.378 -0.547 30 20 DBED C=C(C)CN1CC[C@H](N(CC)C(=O)Cn2cnc(C(N)=O)n2)C1 1753456763 CJOMNWGYPOCHQE-LBPRGKRZSA-N 320.397 -0.124 30 20 DBED C[C@H](NCC#N)[C@H]1CCCN(C(=O)CS(=O)(=O)N(C)C)C1 1753801476 OJOITWIXEXYMPH-RYUDHWBXSA-N 316.427 -0.382 30 20 DBED C=CCNC(=O)[C@H](C)N(C)CCN(C)C(=O)c1cnnn1C 1753852056 ZSQOOKDBWYXGPZ-NSHDSACASA-N 308.386 -0.490 30 20 DBED CCc1nc(C(=O)N[C@@H](C)CCNCC(=O)NCC#N)co1 1753959209 OQKAQZFWFHFGBC-JTQLQIEISA-N 307.354 -0.025 30 20 DBED C=CCNC(=O)CN1CC[C@@H]1CNC(=O)c1cccc(=O)n1C 1754494045 KCTGQHRHCVFCRK-GFCCVEGCSA-N 318.377 -0.508 30 20 DBED N#CCNC[C@@H]1CCCN1C(=O)CCCN1C(=O)CNC1=O 1754621141 DCIYHSLFUJZEAU-NSHDSACASA-N 307.354 -0.577 30 20 DBED C#CCN1CC[C@H](N2CCN(C(=O)C[C@H](C)NC(N)=O)CC2)C1 1754662665 DIWHWLSYFPASHK-KBPBESRZSA-N 321.425 -0.715 30 20 DBED CCOCC(=O)NC[C@]1(C)CCCN(CC(=O)NCC#N)C1 1754723525 KGUGWHOEHWIFPA-HNNXBMFYSA-N 310.398 -0.119 30 20 DBED CC#CCN(C)[C@H](C)CNC(=O)[C@H](C)NS(=O)(=O)CC 1755302973 JMDVPBICRKHPFM-NEPJUHHUSA-N 303.428 -0.226 30 20 DBED CC(C)C[C@]1(C(=O)N(C)C[C@H](O)CNCC#N)CCNC1=O 1755781488 FYKAOUQBKIDNEY-IUODEOHRSA-N 310.398 -0.529 30 20 DBED C#CCNC(=O)CN(C)C[C@@H](O)CN(C)C(=O)c1ocnc1C 1755799115 HMLVBFXFPRFVEF-GFCCVEGCSA-N 322.365 -0.903 30 20 DBED C#Cc1ccc(C(=O)N2CCC[C@@H]2CN(C)C(=O)C(N)=O)nc1 1755919947 KGZCSDCUBAMDNU-GFCCVEGCSA-N 314.345 -0.389 30 20 DBED C[C@@H](NC(=O)CSCC#N)[C@@H](C)NC(=O)c1c[nH]c(=O)cn1 1755963324 AMSOWPVEUSCGLA-RKDXNWHRSA-N 323.378 -0.350 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2CCN(C)C2)C1 1756250141 HEVLKWZPJGJYDI-KBUPBQIOSA-N 321.421 -0.013 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C[C@@H](C)NC(=O)CNC(=O)OC 1756453561 QDNDRAQHUIHKIR-MNOVXSKESA-N 313.354 -0.656 30 20 DBED C#CCCCC(=O)NC[C@@H](CO)NC(=O)c1ccc(C(N)=O)o1 1756515826 QEJFDQUOQFRLDO-JTQLQIEISA-N 321.333 -0.611 30 20 DBED CN(C[C@@H](O)CNC(=O)[C@@H]1[C@H]2COC[C@H]21)C(=O)C#CC(C)(C)C 1756662229 DTHZCFVBZGPCEH-RMRHIDDWSA-N 322.405 -0.136 30 20 DBED CN(C[C@H](O)CN(C)C(=O)C(C)(C)C(N)=O)C(=O)C#CC1CC1 1756689542 ZBRNKSFHWRUAAB-LBPRGKRZSA-N 323.393 -0.811 30 20 DBED CNC(=O)C1(C(=O)N2C[C@@H](NC(=O)[C@H](C)C#N)[C@H](C)C2)CC1 1757100773 HCBGCILJKXJYCO-GMTAPVOTSA-N 306.366 -0.365 30 20 DBED C=CCCOCC(=O)N1C[C@H](O)[C@H](NC(=O)Cn2ccnc2)C1 1757187429 SWHIXNUNHDCKIG-OLZOCXBDSA-N 322.365 -0.836 30 20 DBED C=CCC(=O)N1CCO[C@]2(CCN(C(=O)CNC(C)=O)C2)C1 1783146709 NPJIQKPYOQCPNN-HNNXBMFYSA-N 309.366 -0.472 30 20 DBED C=CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)NC(C)=O)CCO2 1783922672 XCFUHCOJEDLUMD-LRDDRELGSA-N 323.393 -0.083 30 20 DBED C#CCCC(=O)N1CC[C@]2(CN(C(=O)CCC(N)=O)CCO2)C1 1785425622 SYQFNVFRDJCWJK-MRXNPFEDSA-N 321.377 -0.505 30 20 DBED C#CC(=O)N1CC[C@H](CNC(=O)C(O)O)[C@H]1c1cccnc1 1802927095 VNDCEDHNRQAZFX-DGCLKSJQSA-N 303.318 -0.969 30 20 DBED C#CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)COCCO)CC2 1825022364 GUJLOVUCWFQJIP-VIFPVBQESA-N 323.374 -0.303 30 20 DBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CC1CC1)CCO2 1835223791 MLYKYGFQTWMMKG-INIZCTEOSA-N 306.362 -0.124 30 20 DBED Cn1cncc1C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846195160 ISFXWNPDMFGUOT-UHFFFAOYSA-N 316.317 -0.675 30 20 DBED N#Cc1cccc(CS(=O)(=O)NCCN2CCNCC2)c1 36296456 SPGZYJUGSYIPAY-UHFFFAOYSA-N 308.407 -0.117 30 20 DBED C=CCNC(=O)CNC(=O)N1CCN(c2cnn(C)c2)CC1 181159097 DEUJFHPOOZFBBB-UHFFFAOYSA-N 306.370 -0.446 30 20 DBED C#CCNC(=O)[C@H](C)Sc1n[nH]c(=O)n1C[C@H]1CCCO1 253489293 DTHRYYLGFWTJEC-VHSXEESVSA-N 310.379 -0.020 30 20 DBED C=CCN(CC(=O)NCCC(=O)OC)[C@H]1CCS(=O)(=O)C1 264536892 GMNIZQOKHNSWES-NSHDSACASA-N 318.395 -0.659 30 20 DBED COC(=O)c1ccc(CNc2c(C#N)c(=O)n(C)c(=O)n2C)o1 265140624 QAXYBKCFHKUWHA-UHFFFAOYSA-N 318.289 -0.053 30 20 DBED C[C@@]1(C2CC2)NC(=O)N(CC(=O)N2CCOC[C@H]2C#N)C1=O 266230171 SVZLWMASYZGVHV-YGRLFVJLSA-N 306.322 -0.542 30 20 DBED CCN(CCC#N)C(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 269666862 WDLNRNMENPQWMT-FPQZTECRSA-N 305.334 -0.089 30 20 DBED CN1CCCN(/C(O)=N/C[C@H]2CCCN2S(C)(=O)=O)CC1 328745414 PHJHCBKGGJXKAP-GFCCVEGCSA-N 318.443 -0.038 30 20 DBED Cc1ocnc1C/N=C(/O)N1CCN(S(C)(=O)=O)CC1 329113922 LPXRCSQOPXJHTF-UHFFFAOYSA-N 302.356 -0.026 30 20 DBED CS[C@H](CO)[C@H](C)N/C(O)=N/CC(=O)N1CCOCC1 330676148 KBFVJOBNJUFQFD-VHSXEESVSA-N 305.400 -0.539 30 20 DBED C[C@H]1CCS(=O)(=O)CCN1S(=O)(=O)N(C)C[C@@H](C)C#N 332062808 ZFVLXVLEYXXNGT-QWRGUYRKSA-N 323.440 -0.168 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)CN(C)S(=O)(=O)CC)C1=O 337040788 AXXAIWGXSZZEIO-NSHDSACASA-N 317.411 -0.487 30 20 DBED C=CC[C@H](CO)NC(=O)Cn1ccc2c(=O)n(C)c(=O)n(C)c21 337042105 BZJFVSYCOUCDCC-SNVBAGLBSA-N 320.349 -0.908 30 20 DBED COC(=O)CCN1CC[C@@H](NC(=O)c2cnccc2C#N)C1=O 343662313 LYZNIBZDGVYADB-GFCCVEGCSA-N 316.317 -0.153 30 20 DBED CNC(=O)Cn1cc(N[C@H](C)C(=O)NC2(C#N)CCC2)cn1 345112099 LHKMULNOEWTLSH-SNVBAGLBSA-N 304.354 -0.008 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H]2C(C)(C)O)C1=O 345449036 NVOLBXAGMMECCK-SNVBAGLBSA-N 323.349 -0.275 30 20 DBED CCN(Cc1ccccc1)S(=O)(=O)NCC(=O)NCC#N 352513478 ZFLBMNBNFCEGOU-UHFFFAOYSA-N 310.379 -0.017 30 20 DBED C=C(C)CN(C)C(=O)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O 355973447 LOSXUPBHWFXDRJ-LBPRGKRZSA-N 319.365 -0.324 30 20 DBED COCCn1cc(S(=O)(=O)N2CC(O)(CC#N)C2)cn1 358905122 PHVRKXGHOBIZDM-UHFFFAOYSA-N 300.340 -0.821 30 20 DBED Cn1nnc(CNS(=O)(=O)c2c(F)cc(C#N)cc2F)n1 362986654 MOAFXNFEKWTWCZ-UHFFFAOYSA-N 314.277 -0.162 30 20 DBED CN1CCCc2ccc(S(=O)(=O)NCC(=O)NCC#N)cc21 370729520 JACDPRNASXUNHO-UHFFFAOYSA-N 322.390 -0.013 30 20 DBED C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1C[C@H]2CCNC[C@@H]2C1 424548886 QKIMCQAJIYVMRV-DGAVXFQQSA-N 307.394 -0.238 30 20 DBED C=C(C)C(C)(C)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 424635177 BIKLHZXLZJRQKE-UHFFFAOYSA-N 306.370 -0.054 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N[C@H]1CCC(=O)N(C)C1=O 425224676 ONSBJCUUMFGCLZ-BDAKNGLRSA-N 302.356 -0.798 30 20 DBED CNC(=O)[C@@H](CO)NS(=O)(=O)Cc1cc(C#N)ccc1F 440086333 GQIWOECMLQCSTF-LLVKDONJSA-N 315.326 -0.776 30 20 DBED CNS(=O)(=O)CCNC(=O)C(=O)Nc1cccc(C#N)c1 443789381 KDQLWYLFJINHFK-UHFFFAOYSA-N 310.335 -0.838 30 20 DBED N#Cc1ccc(S(=O)(=O)NCCC(=O)NC(N)=O)cc1F 489610828 ZWEKSGWGMOIQEI-UHFFFAOYSA-N 314.298 -0.439 30 20 DBED C#CCN1CCN(C(=O)CN2CCNC(=O)[C@]2(C)CCC)CC1 490721744 YLGMYTATRKHCPH-KRWDZBQOSA-N 320.437 -0.246 30 20 DBED C#CCN1CCN(C(=O)CN2C(=O)N[C@](C)(C(C)C)C2=O)CC1 490762072 FGKLSKCWZUEMPP-MRXNPFEDSA-N 320.393 -0.270 30 20 DBED N#Cc1ccc(NCC(=O)NCCN2C(=O)CCC2=O)nc1 534287696 WQUGDJHJFWNTHF-UHFFFAOYSA-N 301.306 -0.370 30 20 DBED N#CC1(CNC(=O)N2CCN(CC(=O)NC3CC3)CC2)CC1 562394304 MHKFCQJKVMMYCL-UHFFFAOYSA-N 305.382 -0.104 30 20 DBED CO[C@@H](C)CNC(=O)CNS(=O)(=O)c1cccc(C#N)c1 589492484 RDWKPKMYEDXVBO-JTQLQIEISA-N 311.363 -0.012 30 20 DBED N#CC1CN(C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)C1 590118840 CKNNNWYLOFAZCO-UHFFFAOYSA-N 318.337 -0.271 30 20 DBED C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CC(C#N)C1 590485326 YZYAYKJMCVAZIH-CQSZACIVSA-N 320.349 -0.416 30 20 DBED N#CC1CN(C(=O)CNS(=O)(=O)c2c[nH]c3ncccc23)C1 590489695 RFRZUPAILIHUMW-UHFFFAOYSA-N 319.346 -0.177 30 20 DBED N#CCNC(=O)CNC[C@@H](O)COc1ccc(CC#N)cc1 591767670 WJIDZKMAWBCORE-CYBMUJFWSA-N 302.334 -0.278 30 20 DBED CO[C@H]1CS(=O)(=O)C[C@H]1NS(=O)(=O)CC(C)(C)CC#N 594823027 QGLHNUURCDDOCU-ZJUUUORDSA-N 324.424 -0.342 30 20 DBED N#Cc1ncn(CCNC(=O)[C@@H]2CC(=O)N[C@@H]3CCCC[C@H]32)n1 597642566 GBPCHHKMMASMQY-QJPTWQEYSA-N 316.365 -0.039 30 20 DBED COc1cc(NC(=O)C(=O)N[C@H]2CNC(=O)C2)c(F)cc1C#N 599969412 CNVWNTDPIWOECY-MRVPVSSYSA-N 320.280 -0.351 30 20 DBED C[C@H]1CN(C(=O)C(=O)N2CCN(CCC#N)CC2)C[C@H](C)N1 601581557 IDPKGOFGTYWUGF-STQMWFEESA-N 307.398 -0.747 30 20 DBED N#CCCn1ccc(NC(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)n1 610743476 STRIZVRBMCBJQP-UWVGGRQHSA-N 306.326 -0.049 30 20 DBED C=CCNC(=O)NC(=O)CN(C)[C@@H](COC(C)C)C(=O)OC 610828634 IKCNWVAWOXNZLQ-NSHDSACASA-N 315.370 -0.103 30 20 DBED C=CCCn1cc(CNS(=O)(=O)[C@H](C)C(=O)N(C)C)nn1 632635853 PINGEYVHUIRWOK-SNVBAGLBSA-N 315.399 -0.250 30 20 DBED C=CCN1CC[C@@H](N(C)C[C@@H](O)CC2(O)CCOCC2)C1=O 639623758 TUMLJXNMSKRDRO-UONOGXRCSA-N 312.410 -0.002 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)NCC2CC2)C1=O 726042348 APCYXQAHHGRKQB-UHFFFAOYSA-N 323.305 -0.967 30 20 DBED N#CCNC(=O)COC(=O)CNC(=O)COc1ccccc1 731232453 UPMWGFJPGZWJHI-UHFFFAOYSA-N 305.290 -0.635 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCc2nc(COC)nn2C1 758200926 HAIOBGZPECPRIX-OLZOCXBDSA-N 317.393 -0.047 30 20 DBED C#C[C@@H](NS(=O)(=O)N(CCOC)CCOC)[C@H]1CCCO1 773058340 UAHKCJSOTMMZPR-CHWSQXEVSA-N 320.411 -0.404 30 20 DBED C#CCOCCNC(=O)NCCCN1CCC[C@@H](C(N)=O)C1 784289249 OAJHJEZGMWCWRR-CYBMUJFWSA-N 310.398 -0.477 30 20 DBED C#CCCCNC(=O)C(=O)N1CCC[C@@H](S(C)(=O)=O)C1 806913246 UDRFJPFOHHOGSX-LLVKDONJSA-N 300.380 -0.448 30 20 DBED C=CCNC(=O)[C@H](C)N1CCS(=O)(=NS(C)(=O)=O)CC1 821300858 ZOOVHSINJUNGHP-JTQLQIEISA-N 323.440 -0.580 30 20 DBED C#CCOCCC(=O)NS(=O)(=O)N1CCC(C(=O)O)CC1 833364845 YAZXREDFKDNGBT-UHFFFAOYSA-N 318.351 -0.816 30 20 DBED CN1C[C@@H](C(=O)N2CCN(c3ccc(C#N)nc3)CC2)NC1=O 834732601 JCLDQBDECCCTMF-ZDUSSCGKSA-N 314.349 -0.375 30 20 DBED C#CC[C@@H](CO)NC(=O)CNS(=O)(=O)c1ccccc1F 854548673 VNXXJOXAFMBRPC-JTQLQIEISA-N 314.338 -0.396 30 20 DBED C=C(Cl)C[C@H](N)C(=O)NCCC(=O)N1CCN(C)CC1 876720956 DQCDEZSKLUBDMA-NSHDSACASA-N 302.806 -0.263 30 20 DBED C#CCN1CCC[C@H](NC(=O)NC[C@@H](C)S(C)(=O)=O)C1 884236647 AZFUJFKMYTWDKR-NEPJUHHUSA-N 301.412 -0.184 30 20 DBED C#CC1(O)CN(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C1 892650031 UBPAUNQGKQOFBE-CYBMUJFWSA-N 322.409 -0.681 30 20 DBED CN(C)CC#CCNC(=O)CCNS(=O)(=O)c1cccnc1 913517081 RMLXDCJZPWWLPL-UHFFFAOYSA-N 324.406 -0.569 30 20 DBED CN1CCC(N2CCC(NC(=O)NCC#CCO)CC2)CC1 923782998 ZNQUPNCEEOEQQK-UHFFFAOYSA-N 308.426 -0.160 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](NC(=O)CN2C(=O)CCC2=O)C1 937931375 XOCIVKDCOHIVPW-ZJUUUORDSA-N 306.322 -0.988 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H]2CCCC[C@@H]2NC(=O)C(N)=O)c1 946428487 RLHUTHSCXWYWGK-MNOVXSKESA-N 317.349 -0.224 30 20 DBED C[C@H]1C[C@@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)CCN1CC#N 947999203 WBHADNBLQFOERF-QWRGUYRKSA-N 321.381 -0.191 30 20 DBED N#Cc1ccc(C(=O)NC[C@H]2CCN2C(=O)Cn2nccn2)[nH]1 949452370 JYYFJAHIDGZWAI-LLVKDONJSA-N 313.321 -0.491 30 20 DBED C[C@@H](C#N)C(=O)N1CC(N(C)C(=O)c2cccc(=O)n2C)C1 955265348 KPFGYPCHTFRZPJ-JTQLQIEISA-N 302.334 -0.172 30 20 DBED C#CCN1CC(N(CC)C(=O)c2cn(CC(=O)N(C)C)nn2)C1 957425921 PRJZMQZKRCRZFZ-UHFFFAOYSA-N 318.381 -0.854 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@](C)(NC(=O)c2ccc(C(N)=O)[nH]2)C1 957613739 XSXHJWKFFQZQJS-VFZGTOFNSA-N 317.349 -0.006 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2cc(C3CC3)nn2C)C1 958110413 HAIJXUCOOQADBM-DOMZBBRYSA-N 302.378 -0.047 30 20 DBED C#CCCN1C[C@H](O)[C@H](CNC(=O)c2cnn3c2CCC3)C1 958121945 NPMNYGKBRJIBAV-DOMZBBRYSA-N 302.378 -0.125 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)Cc1ccon1 960149874 VKBBCKAAGWRRNV-KGYLQXTDSA-N 318.333 -0.185 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H]2CN(C(=O)c3n[nH]cc3F)C[C@@H]21 960877478 LTMLCORTKYUWSB-DVVUODLYSA-N 321.312 -0.240 30 20 DBED C=C(C)CN1C[C@H]2[C@H](NC(=O)CN3C(=O)C(=O)N(C)C3=O)[C@H]2C1 961942037 XEMBODPMGVINPI-IAZYJMLFSA-N 320.349 -0.971 30 20 DBED O=C(Cc1cc[nH]n1)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 962010886 WFOHWIUDAAAAJQ-OLZOCXBDSA-N 302.334 -0.947 30 20 DBED Cc1c(C(=O)NC[C@@H]2COCCN2C(=O)[C@H](C)C#N)cnn1C 964103049 MCVZDIRJJUNDFX-ZYHUDNBSSA-N 319.365 -0.155 30 20 DBED O=C(NC[C@H]1COCCN1C(=O)C#CC1CC1)c1cnon1 964309419 OFUXEGYZKBNJHE-NSHDSACASA-N 304.306 -0.560 30 20 DBED C[C@H](C#N)C(=O)N1CCOC2(CN(C(=O)c3n[nH]cc3F)C2)C1 965467354 QPCWVGPRFCLPCC-SECBINFHSA-N 321.312 -0.238 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H](NC(=O)[C@]2(C)CCC(=O)N2)C1 965990820 YWPRSGLJLLMDMH-HFAKWTLXSA-N 306.366 -0.078 30 20 DBED CSCC(=O)N1CCN(C2CN(C(=O)[C@@H](C)C#N)C2)CC1 967178350 RVWHIDXITOSELF-NSHDSACASA-N 310.423 -0.136 30 20 DBED CC#CCN1CC([C@@H](C)NC(=O)C2CC3(C2)NC(=O)NC3=O)C1 970574269 HLARDPBAEMBDON-VHTNMKBUSA-N 318.377 -0.566 30 20 DBED C=CCN1C[C@H]2CC[C@H]1CN2C(=O)c1cn(CC(N)=O)nn1 972143421 NVFXHTPHMOKXFA-WDEREUQCSA-N 304.354 -0.762 30 20 DBED C[C@@]1(C(=O)N2CC[C@]3(CN(CC#N)CCO3)C2)CCNC1=O 972550089 VQTDIRQDRDWZOK-CABCVRRESA-N 306.366 -0.661 30 20 DBED Cc1c(C(=O)N(C)C[C@@H]2CCN2C(=O)[C@@H](C)C#N)nnn1C 977509921 WELPZQKMUQLDJQ-ONGXEEELSA-N 304.354 -0.044 30 20 DBED N#CCN1C[C@H]2C[C@@H](NC(=O)C3CS(=O)(=O)C3)CC[C@H]2C1 979735727 XDZSDFKFBKOMCF-LOWVWBTDSA-N 311.407 -0.229 30 20 DBED C#CCN1CCCN(C(=O)c2ccc(=O)n(CCOC)n2)CC1 981583401 XBOCEFXPRDBFCF-UHFFFAOYSA-N 318.377 -0.329 30 20 DBED C=C(C)CN[C@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)[C@H]1C 987577118 RVQMELIFYZOWTJ-QWRGUYRKSA-N 306.370 -0.468 30 20 DBED O=C(N[C@@H]1CCN(C(=O)C#CC2CC2)C[C@H]1O)c1csnn1 991619535 BXAZWEOBFSYPCN-ZYHUDNBSSA-N 320.374 -0.357 30 20 DBED C=CCn1cc(C(=O)NC2CN(C(=O)CC3(O)CCC3)C2)nn1 991673257 KTTGDPJVDIWKOC-UHFFFAOYSA-N 319.365 -0.290 30 20 DBED CN1CC(=O)N(CC(=O)N[C@@]23CCC[C@H]2N(CC#N)CC3)C1=O 992475098 NCGKNQQKEUTWJB-IAQYHMDHSA-N 319.365 -0.483 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1CNC(=O)[C@H]1CNC(=O)N1 994522371 IOVHKCIGMWHXPS-RAIGVLPGSA-N 318.377 -0.708 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](NCc2nc(=O)n(C)[nH]2)C(C)(C)C1 995562714 OHMUPUOBKKBZRO-ZJUUUORDSA-N 306.370 -0.405 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)[C@@H]2CCCCN(C)C2=O)C1 996385326 WKMWPOVKNUPXEE-JQWIXIFHSA-N 306.366 -0.268 30 20 DBED C=C(C)CN1CCC(N(C)C(=O)c2cn(CC(N)=O)nn2)CC1 1006444922 XQJRZRDHMBJVLU-UHFFFAOYSA-N 320.397 -0.124 30 20 DBED COc1cncc(C(=O)NC2[C@@H]3CN(C(=O)[C@@H](C)C#N)C[C@@H]23)n1 1013093242 MVZUGDPHOOQKJH-IVZWLZJFSA-N 315.333 -0.169 30 20 DBED N#CCN1CCC2(CC1)C[C@H]2NC(=O)CN1CCOCC1=O 1016660873 HQZMIEPMQXMOFH-GFCCVEGCSA-N 306.366 -0.661 30 20 DBED C#Cc1cncc(C(=O)N(C)C2CC(NC(=O)C(N)=O)C2)c1 1016998901 WWBZUKYGLKGSSK-UHFFFAOYSA-N 300.318 -0.733 30 20 DBED N#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCCN(C(N)=O)C1 1017718990 JNNGGAMYDDQZSC-UPJWGTAASA-N 305.382 -0.024 30 20 DBED C#CCN1CCCC[C@H]1CNC(=O)[C@H]1CCN(C)S1(=O)=O 1024704266 JIHNPHATCLKEFY-QWHCGFSZSA-N 313.423 -0.376 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1[C@@H]2CN([C@@H]3CCCNC3=O)C[C@@H]21 1026057028 SNUYETAYCOMPNZ-JEWKUQAESA-N 319.405 -0.098 30 20 DBED C=CCN1CC[C@@H](N2CC(CNC(=O)c3cnccn3)C2)C1=O 1031523336 BCUYAHRZZGBJNB-CQSZACIVSA-N 315.377 -0.075 30 20 DBED CC#CCN1CC[C@H](N(CC)C(=O)[C@@H]2CCS(=O)(=O)N2)C1 1034042634 AGPFFWRUBLKAJY-STQMWFEESA-N 313.423 -0.376 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)CN3CCC(=O)NC3=O)CC[C@H]21 1036865863 URUIYFMTKAUDJI-CHWSQXEVSA-N 318.377 -0.516 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)c3cn(C)c(=O)nc3O)CC[C@@H]21 1036893246 NYAGRGRSITZVEX-YPMHNXCESA-N 316.361 -0.345 30 20 DBED C#CCCN1CC[C@@H]1CNC(=O)c1coc(S(N)(=O)=O)c1 1038415578 FMNKUWTVIXKJPG-LLVKDONJSA-N 311.363 -0.246 30 20 DBED C=C(Cl)CN1CC[C@H]1CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 1038698425 WMVGRORUVUTNPC-GARJFASQSA-N 301.774 -0.038 30 20 DBED C=CCO[C@@H](C)C(=O)NC[C@@]1(O)CCN(C(=O)COCC)C1 1040160067 AGYGQJXKPOKNRK-WFASDCNBSA-N 314.382 -0.306 30 20 DBED Cc1c[nH]nc1C(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1O 1041004307 GWWLTCVTUVZHHS-CHWSQXEVSA-N 312.333 -0.036 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)c2ccn(CC)n2)C1 1042052069 AUQSINBHTUGQTO-UHFFFAOYSA-N 322.365 -0.591 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)[C@@H]2[C@H]3CCC[C@H]32)C1 1042397708 PUHJCVSIWISCSF-IGQOVBAYSA-N 320.389 -0.240 30 20 DBED CS[C@H](C)C(=O)N1CC(O)(CNC(=O)c2cc(C#N)c[nH]2)C1 1042401704 QSBHEOBYLMRZIR-SECBINFHSA-N 322.390 -0.059 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)C2=CCCC2)C1 1042531775 OGFMSNGPTCKYLZ-GFCCVEGCSA-N 306.362 -0.176 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)C[C@@H](C)OC)C1 1043039862 KHJRCQISWSTSGS-VXGBXAGGSA-N 312.366 -0.861 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(O)(CNC(=O)c2nc(C)c[nH]2)C1 1043222412 ONGKGOHCWWFDDA-AWEZNQCLSA-N 322.365 -0.652 30 20 DBED C=CCCC1(C(=O)N2CC(O)(CNC(=O)c3cnn[nH]3)C2)CC1 1043808143 PQEYQEOCVKXGDZ-UHFFFAOYSA-N 319.365 -0.146 30 20 DBED N#Cc1nccc(N2C[C@H](O)[C@H](NC(=O)Cc3ccc[nH]3)C2)n1 1043984303 GBDJFJJJRJPYCR-NEPJUHHUSA-N 312.333 -0.415 30 20 DBED C#CCCN1CC(N(C)C(=O)CN2C(=O)NC(=O)C2(C)C)C1 1044141266 OEZYXSLAPOIHHO-UHFFFAOYSA-N 306.366 -0.517 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)Cn2nccn2)C1 1044470347 NQSPVXJSVJVEPG-UHFFFAOYSA-N 307.354 -0.820 30 20 DBED C=CCCCC(=O)NCC1(O)CN(C(=O)[C@H]2C[C@@H]2C(=O)OC)C1 1045451471 RSRRZZSRHQFYAK-RYUDHWBXSA-N 324.377 -0.159 30 20 DBED CC[C@@H](C(=O)NCC1(O)CN(C(=O)[C@@H](C)C#N)C1)N(CC)CC 1046376279 NOMGSLLURHSXCD-STQMWFEESA-N 324.425 -0.044 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)c2cc(C3CC3)[nH]n2)C1 1047106158 WXJQZBDIFAAJGG-SECBINFHSA-N 317.349 -0.250 30 20 DBED C=CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC(=O)N(CC)C2)C1 1047401395 OYCQTOOQEXSIKI-RDBSUJKOSA-N 309.410 -0.066 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cnn3c2OCCC3)C1 1047444146 XXWPVYBHCUSSBX-KBPBESRZSA-N 318.377 -0.194 30 20 DBED Cc1nn(C)c(=O)c(C(=O)N(C)[C@H]2CN(CC#N)C[C@@H]2O)c1C 1047479685 XHSNBLVTHGALSC-RYUDHWBXSA-N 319.365 -0.962 30 20 DBED C=CCCO[C@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)COC)C1 1048023067 XBCXBZPNZWWQSG-AGIUHOORSA-N 314.382 -0.356 30 20 DBED CN(C(=O)C#CC1CC1)[C@H]1CN(C(=O)c2ccon2)C[C@@H]1O 1048821623 VAQGCFZJGXEELP-STQMWFEESA-N 303.318 -0.268 30 20 DBED COCC1(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)C#CC3CC3)C2)CC1 1048824541 DMUKGQBZGYHEQY-KBPBESRZSA-N 320.389 -0.144 30 20 DBED C=CCCCC(=O)N(C)[C@H]1CN(C(=O)c2cn(C)nn2)C[C@@H]1O 1049355556 FTRRJUBWUQXJBL-STQMWFEESA-N 321.381 -0.185 30 20 DBED CC#CCN1CCOC[C@@H]1CNC(=O)[C@H]1COCCN1C(C)=O 1051251808 RTAYCWUIVILAPY-LSDHHAIUSA-N 323.393 -0.926 30 20 DBED CCn1ncnc1CNC[C@@H]1CN(C(=O)[C@@H](C)C#N)CCO1 1051494363 IBJYPFOSRWXCOY-NWDGAFQWSA-N 306.370 -0.225 30 20 DBED C#CCN1CCC[C@@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)CC1 1052843254 IYFMPJBGDCHVQT-GFCCVEGCSA-N 320.393 -0.079 30 20 DBED C#CCN1CC2(C1)CN(C(=O)c1ccnn1CCOC)CCO2 1053301634 SFGXWEQEYXTMHN-UHFFFAOYSA-N 318.377 -0.311 30 20 DBED C=CCN1CC2(C1)CN(C(=O)c1nc3ncccn3n1)CCO2 1053476778 HSBSNISSGXETNV-UHFFFAOYSA-N 314.349 -0.163 30 20 DBED C#Cc1ccc(C(=O)N2CCOC3(CN(CCCO)C3)C2)nc1 1053512189 LYKYYUMQOYHKHH-UHFFFAOYSA-N 315.373 -0.028 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)c3nc4ncccn4n3)CO2)C1 1053961226 QSTOWBIWCZTZFB-JTQLQIEISA-N 313.321 -0.779 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)[C@@]3(C)CCN(C(C)=O)C3)CO2)C1 1053976482 GEWLBZOHRMVVBV-ZBFHGGJFSA-N 319.405 -0.162 30 20 DBED C#CCN1CC[C@@]2(CCCN(C(=O)Cn3c(O)nnc3O)C2)C1 1054233125 DBMAEFUPKYZMSV-HNNXBMFYSA-N 319.365 -0.363 30 20 DBED C#CCN[C@H]1CN(C(=O)c2ccc(=O)n(CCOC)n2)C[C@H]1C 1054879356 IHNUYFKJZJQYHM-OCCSQVGLSA-N 318.377 -0.427 30 20 DBED N#Cc1nccnc1N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cn1cncn1 1055021743 XMHDYQVNFMSARF-MDZLAQPJSA-N 324.348 -0.134 30 20 DBED C[C@]1(C(=O)N2CC[C@@H](N=c3cc[nH]c(C#N)n3)C2)CNC(=O)C1 1056738857 VDROZHXDIRVODK-MEBBXXQBSA-N 314.349 -0.691 30 20 DBED C=CCCOCC(=O)NCCN(CCO)C(=O)[C@@H](C)OCC 1057060247 HUQAXGXOYLHHSS-CYBMUJFWSA-N 316.398 -0.059 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)[C@H](C)SC 1057193970 VQANUKCYNUJWAO-NSHDSACASA-N 304.412 -0.122 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)c1c[nH]c(C#N)c1 1057392068 YRACHPFRILMEKP-JTQLQIEISA-N 303.322 -0.403 30 20 DBED C#CCCCCC(=O)NCCN(CCO)C(=O)c1cn(C)nn1 1057494162 PLVFBHJYDAKNSV-UHFFFAOYSA-N 321.381 -0.441 30 20 DBED CN1CC[C@H](C(=O)N[C@@H]2CCN(c3nccnc3C#N)C2)C1=O 1058514374 HXNFNGZHRQSUBV-GHMZBOCLSA-N 314.349 -0.479 30 20 DBED CN1C(=O)CC[C@@H]1C(=O)N[C@H]1CCN(c2ccc(C#N)nn2)C1 1058523114 HGRFFZYTYJBVOW-NWDGAFQWSA-N 314.349 -0.336 30 20 DBED Cc1nnc(CC(=O)NCCN(CCO)C(=O)[C@@H](C)C#N)o1 1058653150 NNLINWNKSXTVNP-VIFPVBQESA-N 309.326 -0.983 30 20 DBED C=C[C@](C)(O)CC(=O)NCCN(CCO)C(=O)CCN(C)C 1058708030 ZIPITJVKPNXGCI-HNNXBMFYSA-N 315.414 -0.798 30 20 DBED N#Cc1nc(=N[C@H]2CCN(C(=O)c3ccc(O)nn3)C2)cc[nH]1 1058820895 UUZDIDSLNLNHRY-VIFPVBQESA-N 311.305 -0.408 30 20 DBED C#CCO[C@@H](C)C(=O)NCC[C@@H]1CCN(C(=O)CNC(N)=O)C1 1059121108 MGZUDNMEEPPEKQ-NWDGAFQWSA-N 324.381 -0.952 30 20 DBED C=CCOCC(=O)N1CC[C@H](CCNC(=O)[C@H]2CCC(=O)N2)C1 1059335648 ZAWQJVFWWAUOCJ-QWHCGFSZSA-N 323.393 -0.178 30 20 DBED CN1C[C@@H](C(=O)N[C@H]2C[C@H](Nc3ccc(C#N)nn3)C2)NC1=O 1059365025 UYERUEKNZWQZTR-DCAQKATOSA-N 315.337 -0.569 30 20 DBED N#Cc1cncc(NC[C@@H]2CCN(C(=O)[C@@H]3COC(=O)N3)C2)n1 1060865001 HYVZOUARLPLMOF-ONGXEEELSA-N 316.321 -0.283 30 20 DBED C#CCOCCC(=O)N1CCOC[C@H]1CNC(=O)c1cocn1 1061415084 MFEQVAXGRMCCKO-GFCCVEGCSA-N 321.333 -0.328 30 20 DBED CCNC(=O)CC(=O)NC[C@@H]1COCCN1C(=O)C#CC1CC1 1061518199 JMKAKBHOXIJTRN-CYBMUJFWSA-N 321.377 -0.730 30 20 DBED C#CCO[C@H](C)C(=O)N1CCOC[C@H]1CNC(=O)c1cnco1 1061731871 YORVUFHWTYGSOX-VXGBXAGGSA-N 321.333 -0.330 30 20 DBED N#Cc1cnc(N2CC[C@@]3(CCN(C(=O)C(N)=O)C3)C2)cn1 1064640879 WBXIHZFEADEGLA-CQSZACIVSA-N 300.322 -0.738 30 20 DBED N#CCSCC(=O)NC[C@H]1CN(C(=O)c2ncc[nH]2)CCO1 1065119856 HFNQUOQKILSWSZ-JTQLQIEISA-N 323.378 -0.376 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)c2cnn(C)n2)CCO1 1065346826 DQXZIBMZAWLOEF-GFCCVEGCSA-N 319.365 -0.424 30 20 DBED N#Cc1cnc(NC[C@@H]2CN(C(=O)c3cnon3)CCO2)cn1 1066640381 UHPBRJXVVBBQSE-SNVBAGLBSA-N 315.293 -0.316 30 20 DBED Cc1cc(C#N)nc(N[C@@H]2CN(C(=O)CC(N)=O)C[C@@H]2C)n1 1067063315 VWTWRILFERDYHA-GZMMTYOYSA-N 302.338 -0.209 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(C1)CN(C(=O)[C@H](C)CC(N)=O)CCO2 1068423765 UYKZGYPSRRQSFN-MNOVXSKESA-N 322.365 -0.903 30 20 DBED C#CCCCC(=O)N[C@@H]1COC2(C1)CN(C(=O)CNC(C)=O)C2 1068833494 OMUMUAFXDUYODM-ZDUSSCGKSA-N 321.377 -0.588 30 20 DBED CC#CCN1CCNC(=O)CCN(C(=O)[C@@H]2COCCO2)CC1 1070942178 RMNLINGOMVKJAF-AWEZNQCLSA-N 323.393 -0.924 30 20 DBED C[C@@H]1CN(C(=O)CN2CCCC2=O)C[C@H]1NC(=O)C#CC1CC1 1071556387 IZQQCEYNFPNMET-TZMCWYRMSA-N 317.389 -0.015 30 20 DBED CNC(=O)C1(C(=O)N[C@H]2CN(C(=O)C#CC3CC3)C[C@H]2C)CC1 1072049395 SSUMHBQCUJIADZ-YPMHNXCESA-N 317.389 -0.111 30 20 DBED C=CCCOCC(=O)N1C[C@H](C)[C@H](NC(=O)CNC(N)=O)C1 1072329196 HUFKRRRSUAOICY-WDEREUQCSA-N 312.370 -0.790 30 20 DBED C[C@H](C(N)=O)N1CCCO[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 1073565314 DBPHUNMEBCWMNV-PWSUYJOCSA-N 319.365 -0.419 30 20 DBED C=CCO[C@@H](C)C(=O)NCC[C@H](C)NC(=O)CNC(=O)NC 1077068957 COVQTOOEMVPSMM-QWRGUYRKSA-N 314.386 -0.483 30 20 DBED C=CCCC(=O)N[C@@H](C)CCNC(=O)c1nnc(O)nc1O 1077578342 XXQVHZOFJNGWLS-QMMMGPOBSA-N 309.326 -0.126 30 20 DBED CCN(C(=O)CN1CCOCC1)C1CN(C(=O)[C@@H](C)C#N)C1 1079631538 QBPQRYMKRBXALT-LBPRGKRZSA-N 308.382 -0.462 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2cn[nH]c2)C[C@H]1O 1081343889 JEJCTYQVSCKGGV-NWDGAFQWSA-N 308.338 -0.839 30 20 DBED C#CCCCCC(=O)NC[C@@H]1CN(C(=O)CC(=O)NC)C[C@H]1O 1081417763 YEQQSQUJTYARJA-CHWSQXEVSA-N 323.393 -0.748 30 20 DBED CCN(CC)CC(=O)NC[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1081505701 JHYLOYUXGGQMBB-HUUCEWRRSA-N 321.421 -0.323 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cn(C)c(O)n2)C1 1081732642 JLVFXJYODBVMRW-PWSUYJOCSA-N 322.365 -0.359 30 20 DBED COCCn1cc(C(=O)N2CCO[C@@H]3CN(CC#N)C[C@@H]32)cn1 1083261705 INRUMXBMNYMKBT-UONOGXRCSA-N 319.365 -0.422 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)c2cn(CCOC)nc2C)C1 1083458381 LFONAQNUOUUXKO-CABCVRRESA-N 320.393 -0.364 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)c2cccn3c(O)nnc23)C1 1083947803 BBLNIAQZKNWHJZ-NEPJUHHUSA-N 315.333 -0.767 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)Cc2ccc(C(N)=O)cc2)C1 1084106315 SCZBXFRVINGJAZ-CABCVRRESA-N 315.373 -0.487 30 20 DBED C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cn(CC(N)=O)nn1 1085986742 LZBOSCNLAXTFRI-LBPRGKRZSA-N 320.397 -0.124 30 20 DBED C#CCCN1CC[C@@H]2CN(C(=O)Cn3ncn(C)c3=O)C[C@@H]2C1 1088019572 VQBVPPWOLADQJU-KGLIPLIRSA-N 317.393 -0.615 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)c1nnn(C)n1)Nc1nccnc1C#N 1089447152 DGQCHJDVUUZQSX-DTWKUNHWSA-N 315.341 -0.119 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2cc(OCC)n[nH]2)[C@H](O)C1 1090354819 MAKHAIULPOYOMB-DGCLKSJQSA-N 306.366 -0.003 30 20 DBED Cc1nn(C)c(C)c1CC(=O)N[C@H]1CCN(CC#N)C[C@H]1O 1090464293 RSOCSWBBIYVXIR-UONOGXRCSA-N 305.382 -0.346 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(c2nc(CC)ns2)C[C@H]1O 1090488677 NLWKLCOAHCCPRY-GMTAPVOTSA-N 324.406 -0.196 30 20 DBED CNC(=O)NCC(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1C 1090835454 JUBXCGUHURKQEX-NXEZZACHSA-N 317.353 -0.782 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(c2nccnc2C#N)C[C@@H]1O 1092153503 IOVQYDXHZHKEPR-YPMHNXCESA-N 317.349 -0.393 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)[C@H]3COCCO3)c3nccn32)C1 1092343870 LROLSKFSHRHFKU-NWDGAFQWSA-N 317.349 -0.606 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)[C@@H]3CCC(=O)N3)c3nccn32)C1 1092409413 PPVVSTWOTAYVII-NWDGAFQWSA-N 313.361 -0.633 30 20 DBED N#Cc1nc(NCCNC(=O)CNC(N)=O)sc1Cl 1093500626 DNYHCCFYSDROJX-UHFFFAOYSA-N 302.747 -0.135 30 20 DBED C#CCNC(=O)CC(=O)NCCNc1cc(C#N)nc(CC)n1 1093558489 YASILGIOFRWMKC-UHFFFAOYSA-N 314.349 -0.422 30 20 DBED COCC1(C(=O)NCCN=c2cc[nH]c(C#N)n2)CCOCC1 1094207997 IJKFNPCXDVRKGG-UHFFFAOYSA-N 319.365 -0.259 30 20 DBED C=CCN1CC(n2cc(CNC(=O)c3[nH]c(O)nc3C)nn2)C1 1094298671 WIPRSYXVJFETSE-UHFFFAOYSA-N 317.353 -0.012 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)c3nccc(C)n3)CC2=O)C1 1094731650 PYUIPVKUYZZGFO-LBPRGKRZSA-N 315.377 -0.014 30 20 DBED CC#CCN1CC(N2C[C@H](NC(=O)c3cnon3)CC2=O)C1 1094799929 UJKAFOMACOWLHE-SNVBAGLBSA-N 303.322 -0.892 30 20 DBED Cc1nc(C(=O)N[C@H]2CC(=O)N(C3CN(CC#N)C3)C2)c(C)o1 1094803217 JNLVXWCNHDFZLX-NSHDSACASA-N 317.349 -0.170 30 20 DBED C=CCn1cc(C(=O)N2C[C@H]3C[C@@H](NCC(N)=O)C[C@H]2C3)nn1 1095012105 YNOUEBIZIXZYJN-QJPTWQEYSA-N 318.381 -0.468 30 20 DBED CNC(=O)NCC(=O)N[C@@H]1CCCN(c2ccncc2C#N)C1 1096239389 GOQDCPOUJQVWPU-GFCCVEGCSA-N 316.365 -0.033 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H]1CCCN(C(=O)CNC(N)=O)C1 1097352598 USARSPXLLDQWND-LLVKDONJSA-N 316.365 -0.306 30 20 DBED C[C@@H](CNC(=O)CN1CCCC1=O)Nc1ccc(C#N)nn1 1097695206 AEDFHCKMYICCAM-JTQLQIEISA-N 302.338 -0.113 30 20 DBED CC(=O)N1CC(C(=O)NC[C@@H](C)Nc2ccc(C#N)nn2)C1 1097779242 HIJNEGFKRFKWID-SECBINFHSA-N 302.338 -0.257 30 20 DBED C=CCN(CCO)C1CCN(C(=O)CN2C(=O)CCC2=O)CC1 1098558785 YQHPVWACMVLOAC-UHFFFAOYSA-N 323.393 -0.393 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(Cc2nccn2C)C[C@@H]1O 1099741161 OQEJQGVCSXKTDC-STQMWFEESA-N 308.382 -0.326 30 20 DBED CCc1nc(C#N)cc(N(C)CCNC(=O)c2cnnn2C)n1 1100049647 NZKHVQUDGOKFIC-UHFFFAOYSA-N 314.353 -0.095 30 20 DBED CCS(=O)(=O)NCCNC1CC(CNC(=O)[C@@H](C)C#N)C1 1100197938 JAQHQFALMVJMPS-UNXYVOJBSA-N 316.427 -0.430 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1CC(NCc2nnnn2C)C1 1100285948 ZWRVSVWQYZFNDA-MGULZYLOSA-N 308.386 -0.478 30 20 DBED C#CCNC(=O)[C@H](C)NC1CC(CNC(=O)c2cnco2)C1 1100547105 IFLSXSVVLOAQMB-UNXYVOJBSA-N 304.350 -0.090 30 20 DBED C=CCCCNC1CC(CNC(=O)CN2C(=O)CNC2=O)C1 1100960872 XNSZFVAKXVYMDV-UHFFFAOYSA-N 308.382 -0.011 30 20 DBED N#Cc1cnc(N(CCNC(=O)C2(C(N)=O)CC2)C2CC2)cn1 1101442720 ATXVXVFGQICOHF-UHFFFAOYSA-N 314.349 -0.301 30 20 DBED Cc1cc(C#N)nc(NCCN(C)C(=O)c2cnnn2C)n1 1101572871 YVEGIUSABCNYPG-UHFFFAOYSA-N 300.326 -0.031 30 20 DBED C[C@H](CC(=O)N(C)CCN=c1cc[nH]cc1C#N)NC(N)=O 1101785667 JLQYVZUYQSYRRW-SNVBAGLBSA-N 304.354 -0.308 30 20 DBED N#Cc1cnc(NC[C@H]2CCCN2C(=O)CNC(N)=O)cn1 1103789359 WXLMBNMMYHMKJZ-SNVBAGLBSA-N 303.326 -0.581 30 20 DBED C[C@@H](CN=c1cc[nH]cc1C#N)N(C)C(=O)CCn1cnnn1 1104647122 ARTRBLSVOUPZRQ-NSHDSACASA-N 314.353 -0.289 30 20 DBED C#CCCNCc1cn(C2CN(C(=O)C(C)(C)C(N)=O)C2)nn1 1105262124 IGYBESGONDIVPW-UHFFFAOYSA-N 318.381 -0.714 30 20 DBED C=CCNCc1cn(C2CN(C(=O)CCOCCOC)C2)nn1 1105381049 MKTMDVIAWNRJQF-UHFFFAOYSA-N 323.397 -0.010 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)CNC(=O)C2CC2)cn1 1105720839 ZHAJKPKGTMQANN-CYBMUJFWSA-N 317.349 -0.632 30 20 DBED C=CCCOCC(=O)NC[C@@H](O)CN=c1cc[nH]cc1C#N 1105890646 VEYUWVKVRIAIAZ-ZDUSSCGKSA-N 304.350 -0.143 30 20 DBED CCCN(C)CCC(=O)NC[C@H](O)CN=c1cc[nH]cc1C#N 1105917492 JTZBXQVRMDYXES-CQSZACIVSA-N 319.409 -0.004 30 20 DBED C=CCCN1CC(n2cc(CNC(=O)CNC(=O)CC)nn2)C1 1107146175 YWUFGVKBLWOIGK-UHFFFAOYSA-N 320.397 -0.147 30 20 DBED C[C@H](C#N)C(=O)NC[C@]1(C)CN(CC(=O)N2CCCC2)CCO1 1107819662 SRDOAMQXYGZHFE-CZUORRHYSA-N 322.409 -0.024 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)[C@H]1CCCNC1=O 1107989829 BLSISTFVIIGHIP-ZJUUUORDSA-N 302.338 -0.787 30 20 DBED C[C@@]1(CNC(=O)[C@H]2CCNC(=O)CC2)CN(CC#N)CCO1 1108097120 BSAWLEFUHKEBHA-IUODEOHRSA-N 308.382 -0.367 30 20 DBED CCn1nc(C(=O)NC[C@]2(C)CN(CC#N)CCO2)ccc1=O 1108284596 XPAJUSRETWKTBF-OAHLLOKOSA-N 319.365 -0.393 30 20 DBED Cc1cc(C#N)nc(NC[C@H](C)NC(=O)Cn2cncn2)n1 1108382651 PCQCBTSSRFHISK-JTQLQIEISA-N 300.326 -0.135 30 20 DBED CCO[C@@H](CC)C(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1 1108513779 RDHCXTNENVAOPP-AAEUAGOBSA-N 308.382 -0.274 30 20 DBED COCCCN1CC(N2C[C@H](NC(=O)[C@H](C)C#N)CC2=O)C1 1108527385 ICDKPSZRLDMWCK-VXGBXAGGSA-N 308.382 -0.416 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)[C@H](F)C(F)(F)F)CC2=O)C1 1108548252 IHCXTLCQPNZZIO-KWQFWETISA-N 321.274 -0.079 30 20 DBED C[C@H](CN(C)c1nccnc1C#N)NC(=O)[C@@H]1COCCO1 1108829546 ONNLWNMBEQUXCP-PWSUYJOCSA-N 305.338 -0.295 30 20 DBED CCNC(=O)CC(=O)N[C@@H]1[C@H]2C[C@H]1N(c1ccnc(C#N)n1)C2 1109704071 KWNHEPLXNSBZHZ-FEUHOPSXSA-N 314.349 -0.432 30 20 DBED N#Cc1nccnc1NC[C@H](NC(=O)[C@H]1COC(=O)N1)C1CC1 1109832488 HJBINIIWHJTHTO-WDEREUQCSA-N 316.321 -0.237 30 20 DBED N#Cc1cnc(NCCN(CCO)C(=O)Cc2ccon2)cn1 1111440002 ULIAVBSVQGUNKF-UHFFFAOYSA-N 316.321 -0.188 30 20 DBED CNC(=O)CC(=O)NCC1(Nc2cnc(C#N)cn2)CCC1 1111786601 WGUPPEXXRBNELW-UHFFFAOYSA-N 302.338 -0.065 30 20 DBED COC[C@H](OC)C(=O)NC1CC(CN=c2cc[nH]c(C#N)n2)C1 1112868768 YWEVGCKZCFRZFA-MCIGGMRASA-N 319.365 -0.262 30 20 DBED C[C@H](NC(=O)Cn1cnnn1)[C@H](C)Nc1cnc(C#N)cn1 1112904634 AWKGZOYZVVHXBN-IUCAKERBSA-N 301.314 -0.660 30 20 DBED COCC#CCN1CCN(C(=O)C(=O)NCC(F)(F)F)CC1 1113465002 AIZFJUIKXCPPLH-UHFFFAOYSA-N 321.299 -0.541 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)CC[C@@H]2CCCOC2)CC1 1113473227 PRPMMCWIUOHEDP-AWEZNQCLSA-N 322.409 -0.023 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](C)N(C)c1ncnc2c1nnn2C 1113537323 LPZKWOFFVLBUMX-DTWKUNHWSA-N 302.342 -0.141 30 20 DBED C[C@H](CNC(=O)C[C@H]1CCC(=O)N1)N(C)c1cncc(C#N)n1 1113652518 YYBFVYVULUWBOM-GHMZBOCLSA-N 316.365 -0.042 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)c3cc[nH]n3)[C@@H]2C1 1113894432 URPUJTXAUZQNFK-HBNTYKKESA-N 301.350 -0.792 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)Cc3cc[nH]n3)[C@H]2C1 1114087883 DPJXQQZFKJIPDI-JYAVWHMHSA-N 303.366 -0.699 30 20 DBED C=CCOCCN1C[C@H]2C(NC(=O)c3nnn(C)c3C)[C@@H]2C1 1114091460 XGBUUIUQXFPYOZ-VXGBXAGGSA-N 305.382 -0.014 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H]1[C@@H]2CN(Cc3nncn3C)C[C@@H]21 1114270421 FEBPWPCMZLKENE-CIQGVGRVSA-N 303.366 -0.600 30 20 DBED C[C@@H](NC(=O)c1ccoc1)C(=O)N[C@H]1[C@@H]2CN(CC#N)C[C@@H]21 1114322402 YYCFRJDPOAUGSC-XEZLXBQYSA-N 302.334 -0.032 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)CCc3ccon3)[C@H]2C1 1114570719 KJEQABSGTBHKID-VIKVFOODSA-N 318.377 -0.044 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)c3c[nH]nc3C)[C@H]2C1 1114658598 SQUBVSNNIQIHQJ-RYUDHWBXSA-N 303.366 -0.320 30 20 DBED C#Cc1cncc(C(=O)N[C@H]2[C@@H]3CN(C[C@@H](O)COC)C[C@@H]32)c1 1114807746 DZTCSWKCAWWUMK-WCVJEAGWSA-N 315.373 -0.270 30 20 DBED C#CCCCNC(=O)C(=O)NC1CCN(CC(=O)N(C)C)CC1 1117288267 JINKTIAQDVCYOE-UHFFFAOYSA-N 322.409 -0.815 30 20 DBED CSC[C@](C)(C#N)NC(=O)Cn1[nH]cc2c(=O)ncnc1-2 1117520017 JHYZILBTQALNDT-LBPRGKRZSA-N 306.351 -0.167 30 20 DBED N#C[C@@]1(F)CCN(C(=O)C(=O)NCCCO[C@@H]2CCOC2)C1 1117534660 VHUZKLWRPGDSHQ-RISCZKNCSA-N 313.329 -0.238 30 20 DBED N#C[C@H]1CC[C@@H](NC(=O)C(=O)N2CCC[C@H](OCCO)C2)C1 1118181324 XLRXKWNXYUYYNX-XQQFMLRXSA-N 309.366 -0.205 30 20 DBED C=CCNC(=O)Cn1nnnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1120157292 ZWZWRIUIHOGXSK-RISCZKNCSA-N 322.369 -0.641 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)C[C@@H]2CCCO2)nn1 1121099364 GERPMOZTOSTTTH-NEPJUHHUSA-N 305.338 -0.194 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H](CO)CNC(=O)CCc1nc[nH]n1 1121411617 FNNALCTWIGMILL-LLVKDONJSA-N 315.337 -0.985 30 20 DBED C=CCn1c(N2C[C@H](OC)[C@H](OC)C2)nnc1[C@]1(O)CCOC1 1121722911 ODCWLFWPLXEGKA-ZOWXZIJZSA-N 324.381 -0.078 30 20 DBED Cc1n[nH]c(C)c1C(=O)NC[C@H](CO)Nc1cncc(C#N)n1 1121920073 GVBHWEQDNKFWKK-LLVKDONJSA-N 315.337 -0.109 30 20 DBED N#Cc1cncc(N[C@H](CO)CNC(=O)CCCCC(N)=O)n1 1122045866 YIUNFLZBHRFNGW-NSHDSACASA-N 320.353 -0.717 30 20 DBED C[C@H](CC(F)F)C(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1 1122267563 VGTJVVMQTCZLRL-BDAKNGLRSA-N 313.308 -0.050 30 20 DBED Cn1c(C(=O)NC[C@@H](CO)N=c2cc[nH]cc2C#N)cnc1O 1122305429 XHNCKHWALZJJTP-JTQLQIEISA-N 316.321 -0.983 30 20 DBED Cn1cc(C(=O)NC[C@H](CO)Nc2ccc(C#N)nc2)nc1O 1122445347 PSTHEYPODZDZQX-LLVKDONJSA-N 316.321 -0.405 30 20 DBED COC[C@@H](OC)C(=O)N(C)C[C@H](O)CNc1ccc(C#N)cn1 1124721904 RYWLXBYABDRCAG-CHWSQXEVSA-N 322.365 -0.154 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)c2cn(C)nc2C)C1=O 1124981104 ZNSRHFKRJLYABK-CYBMUJFWSA-N 305.382 -0.165 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)c1n[nH]c(C)c1O 1125745648 SCIVCPRTUUFFNH-UHFFFAOYSA-N 321.381 -0.056 30 20 DBED CCCNC(=O)CN(C)C(=O)CNCCNC(=O)C#CC1CC1 1126885985 MTAAVJFCLVTEHK-UHFFFAOYSA-N 322.409 -0.910 30 20 DBED C#CCNCc1nnc2n1CC[C@@H](NC(=O)[C@H](C)OC)CC2 1127944405 RWPYYLYDFLQRJM-RYUDHWBXSA-N 305.382 -0.143 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)CNC(=O)C1CCCC1 1127956914 PORHAHWJKQREHJ-GFCCVEGCSA-N 322.409 -0.864 30 20 DBED C#CCN1CCn2ncc(CNC(=O)CCS(C)(=O)=O)c2C1 1128397381 XBCJMDGMLJAAQN-UHFFFAOYSA-N 324.406 -0.617 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1cn(C(C)(C)C)nn1 1128959698 IEOWXKVCHVYKEW-UHFFFAOYSA-N 308.386 -0.345 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)[C@@H]2CCCNC2=O)C1=O 1129957723 SADJUJMDAVQRRR-VXGBXAGGSA-N 308.382 -0.995 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCC(=O)NCCN(CC#N)CC1 1131357119 IIDLGWJPEGAAAC-HNNXBMFYSA-N 308.382 -0.512 30 20 DBED C[C@H]1CCN(C(=O)c2cc[nH]n2)C[C@@H]1CNCC(=O)NCC#N 1132654981 GFMWOXHYEMVTQC-RYUDHWBXSA-N 318.381 -0.263 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)CCc2cnn(C)n2)C1=O 1133918389 SOZKHBPGGREJHL-ZDUSSCGKSA-N 320.397 -0.760 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)c1ncn(C)n1 1134260182 IMJHTFKFKNSOOX-QWRGUYRKSA-N 306.370 -0.949 30 20 DBED C#CCOCCC(=O)N[C@@H](C)C[C@H](C)NCc1nnn(C)n1 1134352893 UKCXGTCKPVWCFD-RYUDHWBXSA-N 308.386 -0.377 30 20 DBED C=CCC[C@@H](C)NCCNC(=O)c1cn(C)c(=O)n(C)c1=O 1134665504 NTMXUOMZPLVJSN-LLVKDONJSA-N 308.382 -0.242 30 20 DBED C=CCN[C@H](C)C[C@@H](C)NC(=O)CN1C(=O)C(=O)N(C)C1=O 1135598077 ZQNQRSLWWQNCCB-NXEZZACHSA-N 310.354 -0.534 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)C(=O)NCC(F)(F)F 1135911167 XHKBUJYPRFHEDB-MRVPVSSYSA-N 324.303 -0.939 30 20 DBED C=CCN1CCCO[C@H](CNC(=O)[C@H](C)NC(=O)COC)C1 1149764803 QIUWLUYBHNDSKR-QWHCGFSZSA-N 313.398 -0.469 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)[C@]2(C)CCC(=O)NC2)C1 1150159958 SVBCWUWLXYDJHO-XJKSGUPXSA-N 307.394 -0.257 30 20 DBED COCC#CCNCCNC(=O)COc1ccc(C(N)=O)cc1 1151512662 WMZAZYJBHLCWDH-UHFFFAOYSA-N 319.361 -0.480 30 20 DBED C=CCO[C@H](C)C(=O)NCCN[C@@H](C)C(=O)NC(=O)NCC 1153097963 XQKZMARHAZIAFW-WDEREUQCSA-N 314.386 -0.483 30 20 DBED C#CCN(CC)[C@H](C)CNC(=O)c1nc(O)nc(O)c1OC 1156354967 WRWSPOBUCFMNIK-SECBINFHSA-N 308.338 -0.030 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NCCCNCC(=O)NC(N)=O 1158313321 BJOINBVLRVSOCP-MNOVXSKESA-N 312.370 -0.742 30 20 DBED C=CCN1CCC(CNC(=O)Cn2cnnn2)(COC)CC1 1162091175 GLYRBOUMPJDDFG-UHFFFAOYSA-N 308.386 -0.296 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)C(=O)N1CC[C@@H](C)C1 1170651579 BVZCRYNIPMKOQB-OLZOCXBDSA-N 324.425 -0.359 30 20 DBED N#CCSCC(=O)N1CC[C@@H]2OCCN(CCCO)[C@H]2C1 1176929325 GHHOOUQBRCSUHC-STQMWFEESA-N 313.423 -0.073 30 20 DBED C=CCCO[C@H](C)C(=O)N1CC[C@@H](NCC(=O)NC(N)=O)C1 1181469949 WUCDXIBLTHIDAB-GHMZBOCLSA-N 312.370 -0.647 30 20 DBED C[C@@H]1CN(C(=O)CCN(C)C)C[C@@]1(C)CNCC(=O)NCC#N 1182486730 SEDPVMDRBIWVLN-CZUORRHYSA-N 323.441 -0.348 30 20 DBED COCC#CCN1C[C@@H]2CCN(C(=O)Cn3nccn3)[C@@H]2C1 1188057234 UAGXXHVDERQRMV-UONOGXRCSA-N 303.366 -0.539 30 20 DBED N#CCN1C[C@@H]2CCN(C(=O)C(=O)NCC(F)(F)F)[C@@H]2C1 1189583109 DQGMFYXGEYBQOP-DTWKUNHWSA-N 304.272 -0.279 30 20 DBED COCC#CCN1CCCN(C(=O)[C@@H]2C[C@H]2C(=O)OC)CC1 1195192038 RKWOBCASNNFBHG-ZIAGYGMSSA-N 308.378 -0.020 30 20 DBED C=CCC(C)(C)C(=O)N[C@@H]1CN(C[C@H](O)COC)C[C@H]1O 1196475308 RUTGLUQSIFOWJX-YNEHKIRRSA-N 300.399 -0.243 30 20 DBED C=C[C@@H](CC(=O)N[C@@H]1CN(CC(N)=O)C[C@H]1O)c1ccccc1 1198917544 LRMOCZCQIBJVRP-NWANDNLSSA-N 317.389 -0.007 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(Cc2cnnn2CC)C[C@H]1O 1199292285 GMXYYBNYTBFKNH-ZIAGYGMSSA-N 323.397 -0.448 30 20 DBED C[C@H](NC[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)CCCO1)C(N)=O 1200284665 YHBMVLPMXVNCBL-JQWIXIFHSA-N 319.365 -0.419 30 20 DBED CC#CCNC[C@H]1CN(C(=O)c2nnc(O)nc2O)CCCO1 1200893759 GMHVLVXHKDXICS-JTQLQIEISA-N 321.337 -0.873 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)c2ccn(C)n2)CCCO1 1202058307 KBSAIGTXZZPTEP-CQSZACIVSA-N 320.393 -0.109 30 20 DBED C#CCNC[C@H]1CN(C(=O)[C@H]2CCCS2(=O)=O)CCCO1 1202107467 AQYZSERBUVLNQY-QWHCGFSZSA-N 314.407 -0.596 30 20 DBED N#CCNC[C@H]1CN(C(=O)COC[C@H]2CCCO2)CCCO1 1202243389 KWKCKYYHVMAHCR-KGLIPLIRSA-N 311.382 -0.087 30 20 DBED COCC#CCN[C@H]1C[C@@H](NC(=O)Cn2cnnn2)C12CCC2 1202382681 HIOVUVHNICZHDU-QWHCGFSZSA-N 318.381 -0.660 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)c2nonc2C)[C@H](C)C1 1211458383 FSQHIKCHSQYPED-MWLCHTKSSA-N 307.354 -0.270 30 20 DBED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)[C@@H]1C[C@H]1C1CC1 1213553925 NYDHKWNWBGARTK-REWJHTLYSA-N 320.393 -0.512 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CNC(=O)C1CCC1 1219050475 FEZBZTSPTQVEHV-LSDHHAIUSA-N 319.405 -0.162 30 20 DBED CCCn1c(C)nnc1CN1C[C@H](O)[C@H](NC(=O)[C@@H](C)C#N)C1 1219378877 HSFBDRUPQURGBM-UHTWSYAYSA-N 320.397 -0.183 30 20 DBED C=CC(C)(C)CC(=O)N[C@@H]1CN(CC(=O)N2CCC2)C[C@@H]1O 1219705074 SGGOLRWTJCITCM-OLZOCXBDSA-N 309.410 -0.018 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@@]2(CC(C)C)CCNC2=O)C1 1219828132 WSYHXDIVEJALQQ-DVOMOZLQSA-N 307.394 -0.667 30 20 DBED C=CCC(C)(C)C(=O)N[C@@H]1CN(Cc2nnnn2C)C[C@@H]1O 1220434556 PKDABEZVVLJEGB-MNOVXSKESA-N 308.386 -0.526 30 20 DBED C=CCCCN1C[C@H](O)[C@H](NC(=O)Cn2nnnc2C(C)C)C1 1220509784 PBRSSTDXJBYZRW-OLZOCXBDSA-N 322.413 -0.076 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@@H]2CN(C(=O)CCN(C)C)[C@@H]2C1 1221793249 XSCMBLFRXVCQPX-RRFJBIMHSA-N 320.437 -0.391 30 20 DBED C#CCN1CCS(=O)(=O)[C@H](CCNC(=O)CCCF)C1 1230480537 CWGNBDPPLUHOCZ-GFCCVEGCSA-N 304.387 -0.025 30 20 DBED C[C@@H](C#N)C(=O)N(C)C[C@@H]1CCN1CCNS(C)(=O)=O 1231293351 MGWPIVPXPHNFEO-QWRGUYRKSA-N 302.400 -0.772 30 20 DBED CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)C(=O)N1CCO[C@H](C#N)C1 1261087385 OEMQEYZGFKGCNS-KKOKHZNYSA-N 307.350 -0.333 30 20 DBED CN1CCC[C@H](NC(=O)C(=O)N2CCC(C)(C#N)CC2)C1=O 1261925721 YYDRDMIFJMMPKT-NSHDSACASA-N 306.366 -0.124 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)CO[C@@H]1CCOC1 1318910778 PSPUZQGKAUQOMD-NXEZZACHSA-N 300.311 -0.265 30 20 DBED CC[C@H](C)NC(=O)CCNC(=O)C(=O)N1CCO[C@H](C#N)C1 1321985993 UARVJVWNIHBJPI-WDEREUQCSA-N 310.354 -0.842 30 20 DBED C[C@@H]1CN(C(=O)C(=O)NCc2ccc(C#N)cc2)C[C@H](CO)O1 1322161329 DSIYWIYGUHIDDC-BXUZGUMPSA-N 317.345 -0.217 30 20 DBED C#CCSCCNC(=O)C(=O)NCC1(OC)CCOCC1 1323272352 AKFFFNYMQMGGRU-UHFFFAOYSA-N 314.407 -0.219 30 20 DBED CCS(=O)(=O)C[C@H](C)NC(=O)C(=O)Nc1ccc(C#N)cn1 1324954212 XWYYOUKTPAGAHR-VIFPVBQESA-N 324.362 -0.169 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@H](COC)C1CC1 1326898500 DKIKUWDGAQDWCL-LLVKDONJSA-N 318.395 -0.755 30 20 DBED Cc1cc(NC(=O)C(=O)N[C@@H]2CCN(C)C2=O)ncc1C#N 1327618906 INTOZOZOKUWADV-SNVBAGLBSA-N 301.306 -0.453 30 20 DBED Cn1ccnc1[C@@H](NC(=O)NCC(=O)NCC#N)C(C)(C)CO 1327744349 YAMCLCVOVDOCEA-LLVKDONJSA-N 322.369 -0.581 30 20 DBED C=CCN(CCC#N)C(=O)C(=O)c1cc(S(N)(=O)=O)cn1C 1329309259 QZIQMKVWPQYAIV-UHFFFAOYSA-N 324.362 -0.217 30 20 DBED C[C@@H]1CN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CC[C@H]1N 1329945548 GQPGULFBKHWAPV-KWCYVHTRSA-N 319.409 -0.619 30 20 DBED C[C@@]1(CN)CCN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1 1330567885 NTMGAPTZBPROON-BBRMVZONSA-N 319.409 -0.618 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N(C)CC1(C)COC1 1333013449 RKHJUIZQJBWALQ-UHFFFAOYSA-N 318.395 -0.802 30 20 DBED C=CCOC[C@H]1NC(=O)N([C@H]2CS(=O)(=O)C[C@H]2C)C1=O 1334361182 QMRSMAWBCNMFNV-BBBLOLIVSA-N 302.352 -0.458 30 20 DBED N#C[C@H]1CCCN(C(=O)C(=O)NCC(=O)N2CCCCC2)C1 1334589660 KVGQSUWYVQYBQI-GFCCVEGCSA-N 306.366 -0.123 30 20 DBED C=C[C@@H](COC)NS(=O)(=O)CCCS(=O)(=O)N(C)C 1339287308 ILZKHGFRJSEVCU-JTQLQIEISA-N 314.429 -0.612 30 20 DBED C#C[C@H](NC(=O)C(=O)NCCC(=O)OC(C)C)[C@@H]1CCCO1 1340279343 QNCZDNXZEMZDNK-RYUDHWBXSA-N 310.350 -0.259 30 20 DBED C[C@]1(C(N)=O)CCN(C(=O)C(=O)Nc2cccc(C#N)n2)C1 1345813885 ZSNRFIHEULGNMR-AWEZNQCLSA-N 301.306 -0.384 30 20 DBED C=C(C)CN(C)C(=O)C(=O)N1CCC(C(=O)NCCO)CC1 1348630011 LPHTVBGVDKAMKU-UHFFFAOYSA-N 311.382 -0.632 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N1C[C@H](OC)[C@H](OC)C1 1352716779 DNTCJFAWHFEQAW-UPJWGTAASA-N 312.366 -0.597 30 20 DBED C[C@H]1CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)CC[S@]1=O 1362648778 VGVAVDDBNRGHFB-GTUYJWLHSA-N 324.362 -0.810 30 20 DBED C[C@H]1CC(=O)CC[C@@H]1C(=O)NCCn1cc(C#N)c(O)nc1=O 1362690321 QSUQHHRFWZJFET-CABZTGNLSA-N 318.333 -0.058 30 20 DBED CC[C@@H](COC)NC(=O)NCCn1cc(C#N)c(O)nc1=O 1365110393 YEQYYJPHSWIZHI-JTQLQIEISA-N 309.326 -0.455 30 20 DBED CO[C@]1(C(=O)NCC2(C#N)CCOCC2)CCS(=O)(=O)C1 1365150576 JZRAQRVATYXPES-CYBMUJFWSA-N 316.379 -0.373 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1C[C@@H](NC[C@H](O)Cn2cccn2)C1 1365809621 NPDWPMGRUSSFPB-FQUUOJAGSA-N 305.382 -0.112 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@@H](CNC(=O)CO[C@@H]2CCOC2)C1 1384479886 KNXYYFNOZJZCSE-FVCCEPFGSA-N 309.366 -0.037 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]1CN(C)C(=O)CS(C)(=O)=O 1384864918 CZDRJZYDTJOXSN-UWVGGRQHSA-N 301.368 -0.750 30 20 DBED COc1cc(C(=O)N2CC[C@H](NC(=O)[C@@H](C)C#N)C2)nn1C 1385612257 LMWMSQMKLZXOCS-UWVGGRQHSA-N 305.338 -0.081 30 20 DBED C[C@H](CCNC(=O)CCN1CCOCC1)NC(=O)[C@H](C)C#N 1415407556 UXUAZEVVUUWWFH-CHWSQXEVSA-N 310.398 -0.121 30 20 DBED Cc1ccn(CC(=O)N(C)CCNC(=O)[C@H](C)C#N)c(=O)c1 1415598008 LGPRKOMNPHTCTA-GFCCVEGCSA-N 304.350 -0.109 30 20 DBED C[C@H](C#N)C(=O)NCCN(C)CC(=O)NC(=O)NC1CCCC1 1418449381 UQFLEIZLFWWWTC-LLVKDONJSA-N 323.397 -0.038 30 20 DBED C[C@H](CNC(=O)[C@H](C)C#N)NC(=O)c1cccn2nnnc12 1433428638 OMZNCMTVXVAABD-RKDXNWHRSA-N 301.310 -0.482 30 20 DBED CCN(CCC#N)C(=O)CN[C@H](C)CNC(=O)[C@@H]1CCC(=O)N1 1437244245 XEAXWFFGGYXIGD-NEPJUHHUSA-N 323.397 -0.879 30 20 DBED C[C@@H](C#N)C(=O)NC1CN(C(=O)C(C)(C)N2CCOCC2)C1 1450494413 KLJUAMPGUCNLHM-NSHDSACASA-N 308.382 -0.416 30 20 DBED C[C@@H](CN(C)C(=O)Cn1ncnn1)NC(=O)c1c[nH]c(C#N)c1 1510582521 RACYZVCQWAPOID-VIFPVBQESA-N 316.325 -0.850 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 1566773901 XXEYDMYRLOAAJX-AWEZNQCLSA-N 322.453 -0.096 30 20 DBED C[C@@](C#N)(CC(=O)O)C(=O)N1CC[C@H](CNS(C)(=O)=O)C1 1573359903 LQQZEYWKHUMFQH-SKDRFNHKSA-N 317.367 -0.611 30 20 DBED CC(C)C[C@@H](NC(=O)Cn1cc(C#N)c(O)nc1=O)C(=O)O 1573528796 AONMZGQWDFMGQD-SECBINFHSA-N 308.294 -0.564 30 20 DBED C#C[C@@H]1COCCN1C(=O)C(=O)NCc1ncc(C(=O)O)s1 1588383463 AHYPGNRFFQVADV-MRVPVSSYSA-N 323.330 -0.682 30 20 DBED C[C@H](C(=O)O)S(=O)(=O)NC(=O)COc1ccc(C#N)cc1 1589492046 QGJNTLHPLHLMGW-MRVPVSSYSA-N 312.303 -0.144 30 20 DBED COC(=O)C1CC2(C1)CN(CC(=O)NCC#N)C[C@H]2C(=O)O 1593823940 HLNNJGDHQUIHAD-XIRUVYRFSA-N 309.322 -0.788 30 20 DBED N#CC1(C[C@H](O)CN2CCS(=O)(=O)C[C@H]2C(=O)O)CCC1 1594603882 KBIOINSAYKTMNP-QWRGUYRKSA-N 316.379 -0.385 30 20 DBED Cc1nn(C)c(N2CCN(C(=O)[C@H]3C[C@H]3C(=O)O)CC2)c1C#N 1600772856 ZBMFFTHTSLASEL-WDEREUQCSA-N 317.349 -0.031 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1602762619 BASMHIQHLFVONK-NEPJUHHUSA-N 317.353 -0.454 30 20 DBED CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)N(CC#N)CCC(=O)O 1603310566 PMWPJEHCSJRLMI-JTQLQIEISA-N 319.383 -0.223 30 20 DBED N#Cc1cc(O)cc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)O)c1 1605597347 NNDMVWCZOCKHFN-NSHDSACASA-N 324.314 -0.412 30 20 DBED CS(=O)(=O)N1CCC(CC(=O)N[C@@H]2CNC[C@H]2C#N)CC1 1647265313 ZDFVFFKFDOIQTI-VXGBXAGGSA-N 314.411 -0.724 30 20 DBED C[C@@H](O)c1cn(C2CN(S(=O)(=O)N(C)CCC#N)C2)nn1 1649757982 AKKSUJWGRQRCJM-SECBINFHSA-N 314.371 -0.722 30 20 DBED C#CCNC(=O)CN1CCC2(CC1)C[C@H]2NC(=O)[C@H](C)OC 1752416418 OGUOBFMFSGWKBV-QWHCGFSZSA-N 307.394 -0.259 30 20 DBED CC#CCN[C@@H](C)CNC(=O)c1ccc(=O)n(CCOC)n1 1752886815 KNTKCYUVXBGVBG-LBPRGKRZSA-N 306.366 -0.379 30 20 DBED C#CCNC(=O)CN[C@@H](C)CNC(=O)[C@H](C)c1c(C)n[nH]c1C 1752907491 DWVGDKVQZXZIGX-WDEREUQCSA-N 319.409 -0.026 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC[C@@H](CNC(=O)CNC(=O)CC)C1 1753124629 SBUUFZTYFRQEED-OLZOCXBDSA-N 324.425 -0.359 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(Cc2ncnn2C)CCO1 1753648778 NAZNBUBZHVESMM-CYBMUJFWSA-N 305.382 -0.209 30 20 DBED CN(CCN(C)C(=O)c1cc(Cl)no1)CC(=O)NCC#N 1753867375 PAYQNAMGZHAPDX-UHFFFAOYSA-N 313.745 -0.028 30 20 DBED COCC#CCNC[C@@H](NC(=O)[C@@H](C)S(C)(=O)=O)C1CC1 1754443916 AYORGJKUPPDKMC-DGCLKSJQSA-N 316.423 -0.446 30 20 DBED C#CCN1CC(O)(CNC(=O)c2cnc(C3CC3)nc2O)C1 1754776372 WAXFVLIVGULDIB-UHFFFAOYSA-N 302.334 -0.531 30 20 DBED C#CCCN1CC(O)(CNC(=O)Cc2nc(C3CC3)nn2C)C1 1754778689 GGPAEIFKZFNUJT-UHFFFAOYSA-N 317.393 -0.579 30 20 DBED C#CCNC(=O)CN1CCC[C@H](NC(=O)c2ccnnc2)CC1 1755030068 UMESJZFATRITQY-AWEZNQCLSA-N 315.377 -0.190 30 20 DBED C[C@H](NC(=O)CCc1ccn(C)n1)[C@@H](C)NCC(=O)NCC#N 1755238208 UUEAGTKPCQMJMG-NEPJUHHUSA-N 320.397 -0.525 30 20 DBED C=C(C)CN1CC(CCO)(NC(=O)c2c[nH]c(C(N)=O)c2)C1 1755338469 WWNIBKNVOWKPBL-UHFFFAOYSA-N 306.366 -0.144 30 20 DBED CC#CCN1CCCCC[C@@H]1CNC(=O)CN1C(=O)CNC1=O 1755368403 QLSMKBGHVYGOIC-CYBMUJFWSA-N 320.393 -0.078 30 20 DBED CC#CCN1CCCCC[C@H]1CNC(=O)CN1C(=O)CNC1=O 1755368404 QLSMKBGHVYGOIC-ZDUSSCGKSA-N 320.393 -0.078 30 20 DBED COCCOC[C@@H](O)CN1CC([C@@H](C)NC(=O)C#CC2CC2)C1 1755375035 VLOQLQREXOMETH-CJNGLKHVSA-N 324.421 -0.140 30 20 DBED C#CCCN(C)CCOCCNC(=O)[C@H]1CCc2nncn2C1 1755546002 IWUSOQMMVOCGNR-AWEZNQCLSA-N 319.409 -0.072 30 20 DBED C#CCCN[C@H]1CN(C(=O)CS(=O)(=O)NC)CC1(C)C 1755766856 SLTWIUVWDVJNQJ-NSHDSACASA-N 301.412 -0.615 30 20 DBED CC(C)[C@H](C)NC(=O)CNC[C@@H](O)CN(C)C(=O)C#CC1CC1 1755777441 JZTSYVPHBFDOSJ-DZGCQCFKSA-N 323.437 -0.031 30 20 DBED C=CCCC(=O)N[C@H](C)C1CN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 1756131080 ZTENKLTVTAGFCY-KOLCDFICSA-N 322.365 -0.486 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(C(=O)C#CC(C)C)C[C@@H]1O 1757173648 DQCXVGBHYSUOJS-KGLIPLIRSA-N 306.362 -0.626 30 20 DBED COc1cc(C(=O)N[C@H]2CNC[C@@H]2C#N)ccc1OCC(N)=O 1771746114 FNTBTXIHJJUXSV-QWRGUYRKSA-N 318.333 -0.599 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)CN1CCCC1=O)CCO2 1783049718 OAXSARXGLBUCEA-INIZCTEOSA-N 319.361 -0.928 30 20 DBED C=CC[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](N)CN)CCO2)C1 1783112531 RCONFRRSNKIVNP-DVOMOZLQSA-N 324.425 -0.686 30 20 DBED C=CCC(=O)N1CC[C@]2(C1)CN(C(=O)C(=O)N(C)C)CCO2 1783914058 HRYFCKSOLSMSBY-HNNXBMFYSA-N 309.366 -0.519 30 20 DBED C[C@@H](NC=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC#N)C2 1799286509 SITNBPBNYCAFCW-NRWUCQMLSA-N 322.365 -0.986 30 20 DBED CNC(=O)CCNC(=O)C(=O)Nc1cc(C#N)ccc1OC 50171462 SFHLCLQBLKVORG-UHFFFAOYSA-N 304.306 -0.242 30 20 DBED CCCN(CC#N)C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 56484271 SMCUVCCNUFXDNA-UHFFFAOYSA-N 318.337 -0.804 30 20 DBED C[C@](O)(CNS(=O)(=O)c1cccc(F)c1C#N)C(=O)O 90277020 ALBMVIVHIKDXGA-NSHDSACASA-N 302.283 -0.189 30 20 DBED CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCNC(=O)C1 143598707 HEMFVDYAWCXSHI-UHFFFAOYSA-N 316.317 -0.146 30 20 DBED CCN(CCO)CCNC(=O)C(=O)Nc1ccc(C#N)cc1 185601678 VSYOMOKJARNRIR-UHFFFAOYSA-N 304.350 -0.073 30 20 DBED C#CCN(C)S(=O)(=O)c1ccccc1S(=O)(=O)NC 195469597 GAZDIDUUYSGKSN-UHFFFAOYSA-N 302.377 -0.152 30 20 DBED CC(=O)N(C)CC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 268428873 XUEKIXGXXHEASG-NSHDSACASA-N 316.365 -0.136 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@]2(CC)CO)C1=O 275876709 LJLIGJHIDXKIKK-OAHLLOKOSA-N 323.349 -0.273 30 20 DBED CC[C@@H]1CN(c2c(C#N)c(=O)n(C)c(=O)n2C)C[C@@H](C)[S@]1=O 286274698 HPYFQHRKSDTNCU-VUHZHCFISA-N 324.406 -0.309 30 20 DBED CC(C)C(=O)NCCCNc1c(C#N)c(=O)n(C)c(=O)n1C 301833616 SEWQJZLTSIXYKX-UHFFFAOYSA-N 307.354 -0.470 30 20 DBED CN(C)c1noc(CNc2c(C#N)c(=O)n(C)c(=O)n2C)n1 302313001 POPTUWMIKISUAL-UHFFFAOYSA-N 305.298 -0.983 30 20 DBED CCN1CCN([C@H](C)C/N=C(/O)CN2CCOCC2=O)CC1 329862123 QVCYWFRXMLGFGG-CYBMUJFWSA-N 312.414 -0.172 30 20 DBED CCS(=O)(=O)C[C@H](C)/N=C(/O)N[C@@H]1CCc2ncnn2C1 330760549 LVBSAROBDRPNIM-VHSXEESVSA-N 315.399 -0.080 30 20 DBED COC(=O)CN(C(C)C)S(=O)(=O)N1CCO[C@H](C#N)C1 336913745 LEQCUAMOXJCLEC-SNVBAGLBSA-N 305.356 -0.661 30 20 DBED N#CCNC(=O)CNC(=O)CN1C(=O)CCc2ccccc21 343521468 QDBOIWFVRSLEAL-UHFFFAOYSA-N 300.318 -0.278 30 20 DBED CCOC(=O)[C@](C)(O)CNS(=O)(=O)c1ccc(C#N)o1 344670493 KNJFYZVEFFNCTH-LLVKDONJSA-N 302.308 -0.256 30 20 DBED N#CCCN(CCCN1C(=O)CNC1=O)CCN1CCOCC1 348636120 VNTRKSARASMYCY-UHFFFAOYSA-N 323.397 -0.524 30 20 DBED COC(=O)CN(CC#N)C(=O)CNC(=O)COc1ccccc1 348801373 SNKKJFZZPBIVAD-UHFFFAOYSA-N 319.317 -0.293 30 20 DBED CN(CCC#N)C(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 363213998 NTQATZQPNIRTNR-MNOVXSKESA-N 313.379 -0.606 30 20 DBED N#Cc1ccc(O[C@H]2CCN(C(=O)CCNC(N)=O)C2)nc1 368321816 PFUOBGOBFQINCM-NSHDSACASA-N 303.322 -0.009 30 20 DBED CN1CCNC[C@H]1CNS(=O)(=O)c1ccc(C#N)s1 394465480 VYQKLLRSWYOJDH-VIFPVBQESA-N 300.409 -0.198 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N1CCC[C@H](CC(N)=O)C1 407959688 XAUPUQOPNITAHF-GHMZBOCLSA-N 302.400 -0.090 30 20 DBED Cc1nc(S(=O)(=O)N2CCN(C(=O)CC#N)CC2)cn1C 408319116 FOAONZUGRMDDRI-UHFFFAOYSA-N 311.367 -0.525 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(C)nn2C)C1=O 440270297 WHTMQENQWSNVMU-LLVKDONJSA-N 319.365 -0.088 30 20 DBED CCN(CCC#N)S(=O)(=O)N[C@H]1CCCN(CCCO)C1 451673374 VISJWQNMUPHUHH-ZDUSSCGKSA-N 318.443 -0.097 30 20 DBED C#CCNC(=O)CN1CCN(Cc2nnc(C)n2CCC)CC1 491070293 ANUJDFQUHFYILN-UHFFFAOYSA-N 318.425 -0.136 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 491071294 JKZMLTMMXASNMG-UHFFFAOYSA-N 319.321 -0.570 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)Cc2[nH]cnc2C)CC1 491384948 QHHGMIXLWQKDQV-UHFFFAOYSA-N 303.366 -0.846 30 20 DBED C#CCNC(=O)CCN(CCOC)[C@@H]1CCS(=O)(=O)C1 491647684 YXYRKLYZFUHNBP-GFCCVEGCSA-N 302.396 -0.739 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N2CC[C@@H]3OCC[C@@H]3C2)CCO1 567497340 RKWQLEUYMXXCGD-UTUOFQBUSA-N 301.368 -0.434 30 20 DBED CN1CCC(N2CC[C@@H](NC[C@@H](O)CN(C)CCC#N)C2)CC1 591736935 PBEXYXLQIXUHND-NVXWUHKLSA-N 323.485 -0.049 30 20 DBED COC(=O)c1cc(S(=O)(=O)N2CC[C@](O)(CC#N)C2)c[nH]1 592077002 AKUUWIWXLKMNMV-GFCCVEGCSA-N 313.335 -0.160 30 20 DBED CC(C)(C#N)C[C@H](O)CN1CCOC[C@H]1CNS(C)(=O)=O 599667676 SXMNGQYAISLPEA-NEPJUHHUSA-N 319.427 -0.463 30 20 DBED C=CCCOCC(=O)N1CCC[C@@H](CNS(N)(=O)=O)C1 606838487 ZXFCNRFBAOEHTK-NSHDSACASA-N 305.400 -0.389 30 20 DBED COCCN(CCC#N)C(=O)[C@H]1CC(=O)N(CCN(C)C)C1 610987699 SCALJVUVNHBWHR-ZDUSSCGKSA-N 310.398 -0.215 30 20 DBED CN(CCS(N)(=O)=O)S(=O)(=O)Cc1ccc(C#N)cc1 719712551 DDKMJODHDQGLNF-UHFFFAOYSA-N 317.392 -0.392 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2cc(CCC)[nH]n2)CC1 728533564 OFDXTNADSGLMRB-UHFFFAOYSA-N 317.393 -0.131 30 20 DBED C#Cc1ccc(C(=O)OCC(=O)N[C@H](C)C(=O)N(C)C)nc1 729006886 NJLLBFQACKFQRN-SNVBAGLBSA-N 303.318 -0.187 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1ccc(C(N)=O)o1 747179749 CWRCBLWDDOPCFV-ZETCQYMHSA-N 309.278 -0.064 30 20 DBED CN1CCC(C#N)(NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)CC1 748843073 KWSCWBUMWZCNNA-LLVKDONJSA-N 316.365 -0.133 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)COc1c(C)nn(C)c1C 758995669 UJIRYTBCRQSYDY-UHFFFAOYSA-N 324.337 -0.029 30 20 DBED C=CCS(=O)(=O)CCNC(=O)NCCN1CCO[C@H](C)C1 783204566 MPLNSUNBSRRGIX-GFCCVEGCSA-N 319.427 -0.393 30 20 DBED COC(=O)[C@@H]1CCN(C(=O)C(=O)Nc2cnn(CC#N)c2)[C@@H]1C 787914195 MIZHJOFFNCNDJC-MWLCHTKSSA-N 319.321 -0.245 30 20 DBED C#CCC[C@@H](O)CNC(=O)NCCCN(C)S(C)(=O)=O 798366051 HSFVLGPFCKTZMR-LLVKDONJSA-N 305.400 -0.659 30 20 DBED O=C1CC(=NN=c2nc3[nH][nH]cc-3c(O)n2)[C@@H]2CCCCN12 799480402 VGYYFUSYOJVUEK-VIFPVBQESA-N 301.310 -0.015 30 20 DBED CNC(=O)CNC(=S)NN=Cc1cc(-c2nn[nH]n2)cs1 821633803 DSGWPVHUELIHMM-UHFFFAOYSA-N 324.395 -0.528 30 20 DBED C/N=C(/NCCN1CCOCC1)NC[C@H]1CC(=O)N(C2CC2)C1 849078050 GSNFVCZGDCOUAA-CYBMUJFWSA-N 323.441 -0.506 30 20 DBED N#CCCn1ccc(NC(=O)NN2CCS(=O)(=O)CC2)n1 860659755 DZHUQTYXQXTCLR-UHFFFAOYSA-N 312.355 -0.436 30 20 DBED COc1ccc(CNC(=O)C(=O)N(C)C[C@H](C)N)cc1C#N 861759984 YQRPFZYTYGMBEN-JTQLQIEISA-N 304.350 -0.011 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N[C@@H]1COCC[C@H]1OC 894124699 NWZFWYOUKRAXLN-GHMZBOCLSA-N 306.384 -0.310 30 20 DBED CCOC(=O)[C@H]1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)C1 921726013 PTMWKDMTQYUJHD-QWRGUYRKSA-N 317.367 -0.659 30 20 DBED CN(C(=O)NCC#CCO)[C@H]1CCN(CC(F)(F)F)C1=O 923780631 IYOVJDQVVIDBOZ-VIFPVBQESA-N 307.272 -0.213 30 20 DBED CCN1CCOC[C@@H]1C(=O)N[C@@H]1CCN(C(=O)C#CC2CC2)C1 941341742 PJMMQBAPZKIKCQ-HUUCEWRRSA-N 319.405 -0.162 30 20 DBED Cc1cnc(C(=O)NC[C@H]2CN(C(=O)[C@@H](C)C#N)CCO2)cn1 944455269 CVAOTKNEIYTIEJ-JQWIXIFHSA-N 317.349 -0.098 30 20 DBED CC[C@H]1CN(C(=O)C(N)=O)CC[C@H]1NC(=O)c1c[nH]c(C#N)c1 948524340 FGSJCFWECQAGLE-JOYOIKCWSA-N 317.349 -0.271 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)CN1CCOCC1)CCO2 949072284 SZLWTDDKOMEGES-UHFFFAOYSA-N 321.421 -0.355 30 20 DBED CN(C(=O)c1cnnc(O)c1)C1CN(C(=O)C#CC2CC2)C1 954524116 XHUCYJLHKKHTMC-UHFFFAOYSA-N 300.318 -0.122 30 20 DBED C#Cc1ccc(C(=O)N2CCN([C@H](C)C(=O)NC)CC2)cn1 957381192 JUKXQFJWBBXMFW-GFCCVEGCSA-N 300.362 -0.045 30 20 DBED CC#CCN1CC(N(CC)C(=O)[C@H]2COCCN2C(C)=O)C1 957404168 IROMBNRPBSRWPE-OAHLLOKOSA-N 307.394 -0.210 30 20 DBED C=CCCN1CCN(C(=O)CN2CCS(=O)(=O)CC2)CC1 957642081 RLANLNNCOXROFA-UHFFFAOYSA-N 315.439 -0.563 30 20 DBED C#CCCN1C[C@H](CNC(=O)c2ccnc3[nH]nnc23)[C@@H](O)C1 958248918 QIGUMELAGBTNRC-JQWIXIFHSA-N 314.349 -0.601 30 20 DBED Cn1cnc2c(C(=O)NC[C@@H]3CN(CC#N)C[C@H]3O)ccnc21 958399634 NGHWAODDSAXXRN-ZYHUDNBSSA-N 314.349 -0.486 30 20 DBED Cn1nc(C(=O)NC[C@@H]2CN(CC#N)C[C@H]2O)c2c1CCCC2 958407935 BFEWGHKBNFMHRO-BXUZGUMPSA-N 317.393 -0.155 30 20 DBED CS(=O)(=O)c1cc(C(=O)NC2[C@H]3CN(CC#N)C[C@H]23)co1 960002587 NHVLELFVGHJNCL-UWVGGRQHSA-N 309.347 -0.133 30 20 DBED C#CCN1C[C@@H]2C(NC(=O)c3cccc(OCC(N)=O)c3)[C@H]2C1 960183297 POYJKNUALCZLRT-KBPBESRZSA-N 313.357 -0.156 30 20 DBED C=C(C)CCN1C[C@@H]2C(NC(=O)Cn3c(O)nnc3O)[C@H]2C1 962395257 ABZLPCHRFULGIK-UWVGGRQHSA-N 307.354 -0.298 30 20 DBED C=CCCN1C[C@@H]2C(NC(=O)CN3C(=O)NC(C)(C)C3=O)[C@H]2C1 962458618 YUPLLGFHAZOGRM-QWRGUYRKSA-N 320.393 -0.061 30 20 DBED O=C(NC[C@@H]1COCCN1C(=O)C#CC1CC1)[C@@H]1CCCO1 964077768 GJTDGANRCJMLMA-KGLIPLIRSA-N 306.362 -0.078 30 20 DBED N#Cc1cc(C(=O)N[C@H]2CCCN(C(=O)CC(N)=O)CC2)c[nH]1 964846767 YIIPVKSASWHIKJ-NSHDSACASA-N 317.349 -0.127 30 20 DBED O=C(Cn1cnnn1)N1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC1CC1 968988916 JCDUPERYBOOLRM-BETUJISGSA-N 314.349 -0.712 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)CCn3cncn3)[C@@H]2C1 971349441 URASZFWMAHWHQQ-YNEHKIRRSA-N 316.365 -0.113 30 20 DBED O=C(C#CC1CC1)N1CC[C@@H]2CN(C(=O)[C@@H]3COCCO3)[C@@H]2C1 971397235 DKXFSSVKLIQPMT-KFWWJZLASA-N 318.373 -0.126 30 20 DBED C#CCCN1CCO[C@@]2(CCN(C(=O)[C@@]3(C)CCNC3=O)C2)C1 972548482 JIZQHUPYQGZEHV-IRXDYDNUSA-N 319.405 -0.161 30 20 DBED O=C1NCC[C@H]1C(=O)NC[C@H]1CCCN(C(=O)C#CC2CC2)C1 975440003 VDJDKHBJFSCBKA-ZIAGYGMSSA-N 317.389 -0.109 30 20 DBED C#CCCN1C[C@H]2C(CNC(=O)C3CC(=O)NC(=O)C3)[C@@H]2C1 978856439 MYDCGQLFIMJIKE-STQMWFEESA-N 303.362 -0.644 30 20 DBED C#CCN[C@@H]1CCN(C(=O)Cc2c(C)nc(O)nc2O)[C@@H]1C 987238378 RTDWBEZHNDOQAU-ZYHUDNBSSA-N 304.350 -0.049 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@H](NC(=O)c2ncn(C)n2)[C@@H](O)C1 991449216 YVZSBTNMPPHAMG-QWRGUYRKSA-N 321.381 -0.281 30 20 DBED N#Cc1ccc(C(=O)N2CC(NC(=O)C[C@H]3CCNC3=O)C2)[nH]1 993448310 KVNJNBBSOPTNHZ-SECBINFHSA-N 315.333 -0.647 30 20 DBED C[C@@H]1[C@@H](NC(=O)c2cnc(O)n(C)c2=O)CCCN1CC#N 993682080 HVSSDWRCFWTRPO-KOLCDFICSA-N 305.338 -0.408 30 20 DBED CO[C@H]1C[C@H](C(=O)N2C[C@@H](NCC#N)C(C)(C)C2)N(C(C)=O)C1 996092243 OXOLMHMTKNMGSG-BFHYXJOUSA-N 322.409 -0.028 30 20 DBED C=C(C)CN[C@H]1CN(C(=O)c2cn(CC(N)=O)nn2)CC1(C)C 996674708 VZWMVIQWMYXVIR-LBPRGKRZSA-N 320.397 -0.220 30 20 DBED N#CCN[C@H]1CCCN(C(=O)CN2CCCCS2(=O)=O)C1 999724872 KOSGJHUZNNHMGT-LBPRGKRZSA-N 314.411 -0.484 30 20 DBED CN(C)C(=O)[C@@H]1CC[C@H](C(=O)NCC2=CCN(CC#N)CC2)O1 1001143938 JIPZAONYBYAPNK-KGLIPLIRSA-N 320.393 -0.106 30 20 DBED C[C@@H](C#N)C(=O)N1CC(CNC(=O)c2cncc(C(N)=O)c2)C1 1002047172 ZGDMFUOFWDHPBM-VIFPVBQESA-N 315.333 -0.472 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCC1CN(C(=O)C(C)(C)C(N)=O)C1 1004535634 JDXIFJBLSQYMRY-NEPJUHHUSA-N 323.393 -0.336 30 20 DBED COCCN1C[C@@H](C(=O)N[C@H]2CCCN(CC#N)C2)CC1=O 1007447526 HWUDLDOAENWVRL-STQMWFEESA-N 308.382 -0.415 30 20 DBED O=C(NC[C@H]1[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]12)[C@H]1COCCO1 1008804398 AGSKFFRDGCXGFY-APIJFGDWSA-N 318.373 -0.364 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C(=O)[C@H]2CCC(=O)N(C)C2)CC1 1011257000 MDVPQWXMBSHBAB-RYUDHWBXSA-N 306.366 -0.315 30 20 DBED C=C[C@](C)(CC)C(=O)N1C[C@H]2C(NC(=O)c3nnn(C)n3)[C@@H]2C1 1013592630 KUKBJNMRLMYYJN-IQMDTDKHSA-N 318.381 -0.001 30 20 DBED N#CCN1CC[C@H](NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 1014423328 GISUBUZIHBNKHO-QWRGUYRKSA-N 302.338 -0.523 30 20 DBED C[C@@H]1CC[C@@H](NC(=O)C(N)=O)CN1C(=O)c1cc(C#N)c[nH]1 1018373022 RJEKCFPGYXSRLW-PSASIEDQSA-N 303.322 -0.519 30 20 DBED Cn1cc(C(=O)N2C[C@@H]3CC[C@@H](NCC#N)[C@H]3C2)c(O)nc1=O 1026418968 MOGJAKOENXEMDP-JBLDHEPKSA-N 317.349 -0.550 30 20 DBED C#CCCN1[C@H]2CC[C@H]1CN(C(=O)CC[C@@H]1NC(=O)NC1=O)C2 1029576923 XFXULEHBCIOHEB-AVGNSLFASA-N 318.377 -0.327 30 20 DBED C=CCN1CC[C@H](N2CC(CNC(=O)c3ccnnc3)C2)C1=O 1032004270 ABGSSSNPPQZASP-AWEZNQCLSA-N 315.377 -0.075 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)c2c(OC)ncnc2OC)C1 1035623866 JCVPYLBDBLSTOA-NSHDSACASA-N 320.349 -0.442 30 20 DBED C#CCCN1CC[C@@H]1CNC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 1038255783 OVEIJQHHNAGUAA-CHWSQXEVSA-N 315.377 -0.024 30 20 DBED C=CCO[C@H](C)C(=O)NC[C@]1(O)CCN(C(=O)C(F)F)C1 1040160279 CNHMKSQOUQRMBU-NOZJJQNGSA-N 306.309 -0.078 30 20 DBED C=CCCC(=O)N1CC[C@@](O)(CNC(=O)[C@@]2(C)CNC(=O)C2)C1 1040334866 LSAVRUQVKWCBKY-HZPDHXFCSA-N 323.393 -0.442 30 20 DBED C=CCCCC(=O)N1CC[C@@](O)(CNC(=O)[C@H]2CNC(=O)N2)C1 1040726236 ZPCQAFAAOSILPV-IAQYHMDHSA-N 324.381 -0.896 30 20 DBED C[C@@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)c2ccncn2)C1 1040761865 XGUWOLLFYUBNGQ-IINYFYTJSA-N 303.322 -0.671 30 20 DBED C[C@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)c2cnns2)C1 1040762252 GYWRJSQZTGEGQP-PRHODGIISA-N 309.351 -0.609 30 20 DBED N#Cc1cncc(N2C[C@@H](O)[C@H](NC(=O)c3cncs3)C2)n1 1040949058 CFQBXSVYBSJSKS-NXEZZACHSA-N 316.346 -0.216 30 20 DBED N#Cc1ccc(NC[C@@H]2CN(C(=O)CC(N)=O)CCCO2)nc1 1041486691 KDHJKLDRCIFCIU-GFCCVEGCSA-N 317.349 -0.142 30 20 DBED C=CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)c2ccon2)C1 1041709857 BBWSBZNMCRIORZ-SNVBAGLBSA-N 309.322 -0.431 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)CC2CCC2)C1 1042343245 WIYLSKOOBHDFDA-LBPRGKRZSA-N 308.378 -0.096 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(O)CN(C(=O)[C@@H]2CCCO2)C1 1042807500 UYWVAIUCISXZLN-FZMZJTMJSA-N 312.366 -0.818 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)Cc2ccc[nH]2)C1 1043041836 LBSYJIIDNJZUBS-GFCCVEGCSA-N 319.361 -0.715 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)CO[C@@H]2CCOC2)C1 1043049067 VWJFLZSKQRBWRP-CYBMUJFWSA-N 324.377 -0.715 30 20 DBED C=C(C)CN1CC(N(C)C(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 1044062147 ZXCIOOSYMFDXBL-UHFFFAOYSA-N 316.365 -0.210 30 20 DBED C=C[C@H](CC)CC(=O)N1CC(O)(CNC(=O)[C@@H]2CCC(=O)N2)C1 1044268976 DYZCYQMLXCSBPL-NEPJUHHUSA-N 323.393 -0.443 30 20 DBED C=C(C)CCN1CC(N(C)C(=O)c2cn(CC(N)=O)nn2)C1 1044334820 WXVGKRRBDFVMPY-UHFFFAOYSA-N 306.370 -0.514 30 20 DBED C[C@H]1C[C@H](NCC#N)CCN1C(=O)CN1CCN(C)C(=O)C1 1044658419 NESVTNZIPIEHFK-QWHCGFSZSA-N 307.398 -0.747 30 20 DBED C=C[C@@H](C)[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2[nH]nnc2C)C1 1044985826 NBTNLRFJSZRCIJ-NXEZZACHSA-N 321.381 -0.126 30 20 DBED Cc1cn(C)nc1C(=O)N1CC(O)(CNC(=O)[C@@H](C)C#N)C1 1045541298 SOUDSKKRFOSMRM-VIFPVBQESA-N 305.338 -0.809 30 20 DBED Cc1cc(=O)c(C(=O)NCC2(O)CN(C(=O)[C@H](C)C#N)C2)c[nH]1 1045689599 LEZUZLPGHMGLLK-SECBINFHSA-N 318.333 -0.854 30 20 DBED C#CCN1CC[C@@H](N2CCN(C(=O)c3n[nH]c(C)c3O)CC2)C1 1046023530 OXQUWLWAODDFIC-CYBMUJFWSA-N 317.393 -0.111 30 20 DBED C=C(C)CCC(=O)N1CC(O)(CNC(=O)[C@]2(C)CCNC2=O)C1 1046644656 VVXHVNCFMIDQNG-OAHLLOKOSA-N 323.393 -0.442 30 20 DBED CN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CN(Cc2cnon2)C[C@@H]1O 1047338026 PQRUYGHXQYIHCL-STQMWFEESA-N 316.321 -0.413 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCNC2=O)C1 1047482511 AQJSXSQJILMPEN-DCAQKATOSA-N 301.774 -0.622 30 20 DBED C#CCCCC(=O)N[C@@H](C)[C@@H]1CCN(C(=O)CNC(N)=O)C1 1049982178 BMHAZFWMFKIZNS-NWDGAFQWSA-N 308.382 -0.189 30 20 DBED Cn1cnc2cncc(C(=O)NC[C@H]3COCCN3CC#N)c21 1050960432 IXOBECHQSZFIPU-NSHDSACASA-N 314.349 -0.078 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)[C@H]1CCCN(C(N)=O)C1 1051017955 UFPXWJOBNGLVLD-STQMWFEESA-N 308.382 -0.773 30 20 DBED CC(=O)NCC(=O)N1C[C@H](CNC(=O)C#CC2CC2)[C@@H](C)C1 1051824802 JWGMEKMTVQCVAD-FZMZJTMJSA-N 305.378 -0.253 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1C 1051921395 KSUUOYXLNWVNIJ-CHWSQXEVSA-N 318.381 -0.457 30 20 DBED N#CCN1CCN([C@H]2CCN(C(=O)c3csnn3)C2)CC1 1052057594 QDIYEVAOGARHHI-NSHDSACASA-N 306.395 -0.106 30 20 DBED C#CCN1CC2(C1)CN(C(=O)[C@@H](OC)[C@@H]1CCOC1)CCO2 1053358361 PDBNPDTWSNAUDO-KGLIPLIRSA-N 308.378 -0.416 30 20 DBED C#CCN1CC2(C1)CN(C(=O)c1cn(C)nc1OC)CCO2 1053370492 JELRWYSKLYBOFV-UHFFFAOYSA-N 304.350 -0.411 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)C[C@H]3CCCCC(=O)N3)CO2)C1 1053993021 FNQFFBGGBAWXEC-CHWSQXEVSA-N 320.393 -0.082 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)c3c[nH]c(C(N)=O)c3)CO2)C1 1054009544 ZCVBDNWEFNOSFM-JTQLQIEISA-N 303.322 -0.790 30 20 DBED COC(=O)[C@H]1C[C@H]1C(=O)N1CCN(c2cnc(C#N)cn2)CC1 1055735201 KTLYEQGEADCIHV-NEPJUHHUSA-N 315.333 -0.194 30 20 DBED N#Cc1nccc(N2C[C@@H]3C(NC(=O)c4cncnc4O)[C@H]3C2)n1 1056329928 FZCGLXWEHLBUOA-UWVGGRQHSA-N 323.316 -0.292 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)[C@@H]1CCO[C@@H]1C 1057194677 LCCJXRZKTVLDBB-CHWSQXEVSA-N 314.382 -0.449 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)[C@H]1OCC[C@H]1C 1057196509 LEOIASNDTUVMAO-OCCSQVGLSA-N 314.382 -0.449 30 20 DBED N#Cc1cc([N+](=O)[O-])ccc1N1CCCN(C(=O)C(N)=O)CC1 1057222157 DSECFAXVLROBBJ-UHFFFAOYSA-N 317.305 -0.010 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)c1cnn(C)c1N 1057517042 IWPKLOHZKKUKEV-UHFFFAOYSA-N 321.381 -0.788 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)CCOCCOC 1057980818 KGQTWBAGWWNBMT-UHFFFAOYSA-N 316.398 -0.057 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)C[C@@H]1CCC(=O)N1 1058073257 HMCLVFXUWIIXCH-LBPRGKRZSA-N 311.382 -0.442 30 20 DBED N#Cc1nccnc1N1CC[C@H](NC(=O)C[C@@H]2CCNC2=O)C1 1058465236 NMPIRAWHDWZTHL-QWRGUYRKSA-N 314.349 -0.431 30 20 DBED N#Cc1nccnc1N1CC[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 1058545150 PSGPULWSWIHXCA-AEJSXWLSSA-N 300.322 -0.835 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)CCOCC1CC1 1058659487 ZYELRTLFGPWUCX-LBPRGKRZSA-N 311.382 -0.100 30 20 DBED N#Cc1cnc(N[C@H]2CCN(C(=O)CN3CCCC3=O)C2)cn1 1058837165 SMBMXHCIIMDZBD-NSHDSACASA-N 314.349 -0.017 30 20 DBED N#Cc1nc(=N[C@H]2C[C@H](NC(=O)CN3CCCC3=O)C2)cc[nH]1 1059159612 BWNAWOODERKWLX-XYPYZODXSA-N 314.349 -0.548 30 20 DBED N#Cc1cnc(NC[C@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)C2)cn1 1060972730 QZBVRBFGCKFGAP-KOLCDFICSA-N 315.337 -0.710 30 20 DBED C=CCCC(=O)NC[C@@H]1COCCN1C(=O)[C@H]1CN(C)C(=O)N1 1061401632 KENDHGLLTCURBC-VXGBXAGGSA-N 324.381 -0.680 30 20 DBED C=CCCC(=O)NC[C@H]1COCCN1C(=O)C[C@H]1CCC(=O)N1 1061407481 QEGDSMIKAZCCHT-OLZOCXBDSA-N 323.393 -0.035 30 20 DBED C=CCCC(=O)NC[C@@H]1COCCN1C(=O)Cc1nc[nH]n1 1061409798 FMIXOVLEOVLBBM-LLVKDONJSA-N 307.354 -0.343 30 20 DBED CC(C)C#CC(=O)N1CCOC[C@@H]1CNC(=O)Cn1nccn1 1061616249 GIAHNLMKWZEXSO-ZDUSSCGKSA-N 319.365 -0.719 30 20 DBED Cc1cncn1CC(=O)N1CCOC[C@@H]1CNC(=O)[C@H](C)C#N 1061852545 JNISNTTULMMWOI-YPMHNXCESA-N 319.365 -0.305 30 20 DBED C=CCOCC(=O)NC1(CNC(=O)Cn2cnnn2)CCC1 1062499585 PCBCERSUSBMTST-UHFFFAOYSA-N 308.342 -0.969 30 20 DBED CS(=O)(=O)CC(=O)N1CCC[C@@H]1CNc1cncc(C#N)n1 1063447802 FFFBRRNHJYMTQU-LLVKDONJSA-N 323.378 -0.204 30 20 DBED N#CCSCC(=O)N1CCO[C@H](CNC(=O)c2cnn[nH]2)C1 1064882425 BTNFKYGKNNNOKF-SECBINFHSA-N 324.366 -0.981 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)COC(C)C)CCO1 1064936415 DUFDFWLDSFQOTB-ZDUSSCGKSA-N 314.382 -0.042 30 20 DBED C#CCCCC(=O)N1CCO[C@@H](CNC(=O)[C@H]2CCNC2=O)C1 1065090385 JSTRUPJNMUUNIT-STQMWFEESA-N 321.377 -0.730 30 20 DBED N#Cc1ccc(N2C[C@H]3C[C@@H](NC(=O)C(N)=O)C[C@H]2C3)nn1 1065554332 YLLJWZMVIDEIMM-JMJZKYOTSA-N 300.322 -0.693 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H](NC(=O)CCNC(N)=O)CC1 1066161748 NUZHOGDINDJYQN-WDEREUQCSA-N 309.370 -0.298 30 20 DBED N#Cc1ccc(N2CCOC[C@@H]2CNC(=O)c2cc[nH]n2)nn1 1066464988 VRMICDKPUVPJTK-NSHDSACASA-N 313.321 -0.293 30 20 DBED N#Cc1cnc(N2CCOC[C@@H]2CNC(=O)c2cnn[nH]2)cn1 1066531627 UJFPDRRZTFYJFD-JTQLQIEISA-N 314.309 -0.898 30 20 DBED C=C(C)CCC(=O)N[C@H]1COC2(C1)CN(C(=O)CNC(N)=O)C2 1068890365 TUGAZEYZZCTYQW-LLVKDONJSA-N 324.381 -0.503 30 20 DBED CC(C)C#CC(=O)N1CCC[C@@H](NC(=O)[C@H]2COC(=O)N2)C1 1070703074 DMFSVRDSZDGFAN-VXGBXAGGSA-N 307.350 -0.139 30 20 DBED CC#CCN1C[C@@H](NC(=O)CN2CC(=O)NC2=O)CC[C@@H]1C 1071901797 XGCUKDLCKVXJML-RYUDHWBXSA-N 306.366 -0.469 30 20 DBED C=C[C@@H](C)[C@H](C)C(=O)N1CC(N2CCN(C(=O)C(N)=O)CC2)C1 1073596484 WQRDWWKILHCEIO-NEPJUHHUSA-N 322.409 -0.715 30 20 DBED C#CCCN1CCCO[C@@H](CNC(=O)[C@H]2CCCNC2=O)C1 1073649025 KJCSMSZWJGMADW-KBPBESRZSA-N 307.394 -0.257 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(C(=O)Cn2cncn2)C[C@@H]1C 1073817247 LZHPEMVVXUCZIF-QWHCGFSZSA-N 321.381 -0.166 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(C(=O)Cc2nc[nH]n2)C[C@@H]1C 1073818479 ZUJUYGCUERELSE-RYUDHWBXSA-N 321.381 -0.097 30 20 DBED Cc1nc(CC(=O)N2CC[C@H]3OCCN(CC#N)[C@@H]3C2)n[nH]1 1074239110 XAIMJVGETAYICO-VXGBXAGGSA-N 304.354 -0.519 30 20 DBED C#Cc1cncc(C(=O)N[C@@H](C)CCNC(=O)CC(N)=O)c1 1075991980 YGYMABBKEZZRAV-JTQLQIEISA-N 302.334 -0.437 30 20 DBED CCS(=O)(=O)CC(=O)N[C@@H](C)CCNC(=O)C#CC1CC1 1076431408 FGBBVZFOHNMZFP-NSHDSACASA-N 314.407 -0.155 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCS(=O)(=O)C2)C1 1077333829 QALGQGZQAZCMRI-YNEHKIRRSA-N 316.423 -0.451 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)Cc2ccc(OC)cn2)C1 1077569630 BECIRKZCXDSVRK-HUUCEWRRSA-N 303.362 -0.183 30 20 DBED Cc1nn(C)c(C)c1[C@H](C)C(=O)N[C@@H]1CN(CC#N)C[C@H]1O 1078279935 HAFOAMMZWSEHQH-ZWKOPEQDSA-N 305.382 -0.175 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H](C)CCNC(=O)Cn1cncn1 1078576700 OZTMHMSMQCCPPW-RYUDHWBXSA-N 309.370 -0.120 30 20 DBED C=CCCOCC(=O)N1CC(N(CC)C(=O)[C@H]2CNC(=O)N2)C1 1080386653 RYITYGILQBZNSZ-GFCCVEGCSA-N 324.381 -0.680 30 20 DBED CCOCC(=O)NC[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1O 1081220513 IWECTGMYQWGOJV-AAEUAGOBSA-N 320.349 -0.528 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2nocc2C)C[C@@H]1O 1081343518 DCVADKJQPZFYAG-RYUDHWBXSA-N 323.349 -0.265 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 1081471499 OIEAHIWFSFHEIW-CABCVRRESA-N 300.358 -0.251 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cnn(C)n2)C1 1081600799 KBFQMZWQIRTRKW-YPMHNXCESA-N 319.365 -0.832 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](CNC(=O)C2(C(N)=O)CC2)[C@@H](O)C1 1081721125 GVWQJJVHNAORAZ-QWRGUYRKSA-N 323.393 -0.600 30 20 DBED C=C(C)CCC(=O)N1C[C@@H](O)[C@H](CNC(=O)Cn2cncn2)C1 1081789290 WMTIJBGWFQQQJV-CHWSQXEVSA-N 321.381 -0.430 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)c2ccc(N(C)C)nn2)C1 1083962431 GFCMXNKUJJSGLC-OLZOCXBDSA-N 303.366 -0.659 30 20 DBED Cc1nc(N2CCCO[C@@H](CNC(=O)C(N)=O)C2)ccc1C#N 1089556782 LPROJROFJMZWNV-LBPRGKRZSA-N 317.349 -0.542 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2cnc3n2CCOC3)[C@H](O)C1 1090337431 RDYZMJVUVNFXOP-TZMCWYRMSA-N 318.377 -0.398 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cnc3n2CCOC3)[C@@H](O)C1 1090338239 ZLSVIMFDHNWJIM-AAEUAGOBSA-N 304.350 -0.789 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2cc(=O)c(OC)co2)[C@@H](O)C1 1090433133 OVELUIAGYGZTSV-YPMHNXCESA-N 320.345 -0.163 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1091091503 ALYVNKSEMPLBSY-XUJVJEKNSA-N 317.349 -0.659 30 20 DBED CC[C@@H]1[C@@H](NC(=O)CNC(C)=O)CCN1c1nccnc1C#N 1091752375 IGHIHPSHIOQSRF-WCQYABFASA-N 316.365 -0.042 30 20 DBED COCC(=O)N[C@@H]1CCN(c2ccc(C#N)c(C)n2)C[C@H]1O 1092126365 LJKHFZSGRWNUSA-CHWSQXEVSA-N 304.350 -0.036 30 20 DBED C#CCOCCC(=O)N[C@H]1CCN(c2nccnc2F)C[C@@H]1O 1092163770 GWRVCOGYHFLUAF-RYUDHWBXSA-N 322.340 -0.289 30 20 DBED Cc1cc(C#N)nc(NCCNC(=O)c2cn(C)c(=O)n2C)n1 1093684189 XKURRUCJHKWRRD-UHFFFAOYSA-N 315.337 -0.464 30 20 DBED Cc1cc(=NCCNC(=O)c2nc3ncccn3n2)c(C#N)c[nH]1 1093814943 KFKIVTKJEFPKIU-UHFFFAOYSA-N 322.332 -0.037 30 20 DBED CCc1nc(C#N)cc(NCCNC(=O)C2CS(=O)(=O)C2)n1 1093909661 GQPLLLJHBZXHDR-UHFFFAOYSA-N 323.378 -0.517 30 20 DBED CCN1C[C@@H](C(=O)NCCNc2cncc(C#N)n2)CC1=O 1094190667 SJKKPFTUMJFLGE-JTQLQIEISA-N 302.338 -0.255 30 20 DBED C=CCCN1CC(n2cc(CNC(=O)[C@@H]3CNC(=O)N3)nn2)C1 1094314970 FPEWODUVYUMORR-LBPRGKRZSA-N 319.369 -0.992 30 20 DBED Cc1cc(=NCCCNC(=O)[C@H]2COCCN2C)c(C#N)c[nH]1 1094395964 YBMMFZFOCHYRQQ-OAHLLOKOSA-N 317.393 -0.068 30 20 DBED Cn1cccc1C(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1 1094708232 XTBZLXLMEBOXTJ-NSHDSACASA-N 301.350 -0.436 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)c3cc[nH]c3C)CC2=O)C1 1094721347 AFBKAPXLOOVYSO-GFCCVEGCSA-N 300.362 -0.029 30 20 DBED CC(=O)N(C)CC(=O)N1CC[C@@H](N=c2cc[nH]cc2C#N)C1 1095020532 VGMLMOAFLCQEKJ-CYBMUJFWSA-N 301.350 -0.134 30 20 DBED CN(CCCNC(=O)[C@@]1(C)CCNC1=O)c1nccnc1C#N 1095736444 VSAZOWAZSFLNHS-OAHLLOKOSA-N 316.365 -0.183 30 20 DBED C[C@@H](CNC(=O)[C@H]1C[C@@H](C)CC(=O)N1)N=c1cc[nH]c(C#N)n1 1098322701 FHWBRHZTJYKOIS-OUAUKWLOSA-N 316.365 -0.399 30 20 DBED C#CCN(CCO)C1CCN(C(=O)C[C@@H]2CCNC2=O)CC1 1098390801 YDGLLFZBIJHODN-ZDUSSCGKSA-N 307.394 -0.569 30 20 DBED COc1nccc(C(=O)NC[C@@H](C)N=c2cc[nH]c(C#N)n2)n1 1098437544 GFFXRKXRYXLOPH-SECBINFHSA-N 313.321 -0.201 30 20 DBED N#CCNCc1cn([C@H]2CCN(C(=O)[C@H]3CCCO3)C2)nn1 1098604128 HTWVZSKFISGXBB-QWHCGFSZSA-N 304.354 -0.156 30 20 DBED CCn1cc(C(=O)N[C@H]2CCN(CC#CCOC)C[C@H]2O)cn1 1099738001 HFUPCOHDPYIBBP-LSDHHAIUSA-N 320.393 -0.282 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2ccn(C)c2)[C@H](O)C1 1099766525 LYCJJCHLNWFSMN-LSDHHAIUSA-N 305.378 -0.160 30 20 DBED C#CCN1CC[C@@H](NC(=O)C2(S(C)(=O)=O)CCC2)[C@@H](O)C1 1100057431 FWGVHZVXFXYABR-NEPJUHHUSA-N 314.407 -0.862 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2ccn(C)n2)[C@H](O)C1 1100110016 OEGDOHPZYQSUFV-GXTWGEPZSA-N 306.366 -0.765 30 20 DBED CCN(CCNC(=O)c1c[nH]c(=O)cn1)c1nccnc1C#N 1100701983 WDWYXDSIEVFKFF-UHFFFAOYSA-N 313.321 -0.312 30 20 DBED CCN(CCNC(=O)[C@@H]1CCC(=O)NC1)c1cncc(C#N)n1 1100765323 DJJOZFZTKHHBSW-LLVKDONJSA-N 316.365 -0.183 30 20 DBED N#Cc1cnc(N(CCNC(=O)[C@@H]2CCNC2=O)C2CC2)cn1 1101419147 WALAKHKWPVMWSA-GFCCVEGCSA-N 314.349 -0.431 30 20 DBED CC[C@@H](CNC(=O)Cn1cnnc1O)Nc1ccc(C#N)nn1 1103066489 ZUIHWIVIWXEMGA-VIFPVBQESA-N 316.325 -0.348 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1CCNC(=O)C[C@@H]1NC(=O)NC1=O 1103098599 ANDFNJHUJSXNPX-MXWKQRLJSA-N 307.354 -0.818 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)[C@]1(C)CCNC1=O 1104199844 IAUJPRWXQGXMRS-MEBBXXQBSA-N 316.365 -0.539 30 20 DBED N#CCNCc1cn(C2CN(C(=O)CCc3cnc[nH]3)C2)nn1 1105253878 IEUBNRSDJUCUNO-UHFFFAOYSA-N 314.353 -0.370 30 20 DBED CNC(=O)CC(=O)N1C[C@]2(C[C@@H](O)[C@H](NCC#N)C2)[C@H]1C(C)C 1105623547 RFGFQNCFDRTQII-BHTHQVBYSA-N 322.409 -0.388 30 20 DBED Cn1cnc(C(=O)NC[C@H](O)CNc2ncc(C#N)cc2F)n1 1105815144 DEXDVQGFQBTQKT-SECBINFHSA-N 319.300 -0.576 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)Cc2cccnc2)nn1 1105819763 LEGQTSHXBIOERE-ZDUSSCGKSA-N 312.333 -0.125 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C 1105847741 GBEDXCBAIIPWOI-CHWSQXEVSA-N 322.434 -0.323 30 20 DBED COC[C@H](C)CC(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1 1105941158 RVEFXWZEOKFVCE-GHMZBOCLSA-N 307.354 -0.668 30 20 DBED COCC(C)(C)C(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1 1106022703 GQDHRGJLTBNBGD-SNVBAGLBSA-N 307.354 -0.668 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)c2csc(O)n2)nn1 1106066872 MBLTXMHHXWZZMY-QMMMGPOBSA-N 320.334 -0.287 30 20 DBED C[C@H]1CCN(CC(=O)NC[C@@H](O)CNc2cncc(C#N)n2)C1 1106104066 GZUYPNKAMHKZFG-AAEUAGOBSA-N 318.381 -0.421 30 20 DBED C[C@@H]1CC[C@H](C(=O)NC[C@H](O)CNc2cnc(C#N)cn2)O1 1106110078 FVMYBPYIIRNNJI-YUSALJHKSA-N 305.338 -0.195 30 20 DBED Cc1cc(=NC[C@@H](O)CNC(=O)Cc2cnc[nH]2)c(C#N)c[nH]1 1106129181 DFWFTHXMQQGQGS-CYBMUJFWSA-N 314.349 -0.462 30 20 DBED N#Cc1cnc(NC[C@H](O)CNC(=O)CCc2cnc[nH]2)cn1 1106149715 DWJIJDQOAVMORU-LBPRGKRZSA-N 315.337 -0.407 30 20 DBED CCN(CCNc1ccc(C#N)nn1)C(=O)[C@@H]1CN(C)C(=O)N1 1106907093 VJASWMSPEJYKIN-NSHDSACASA-N 317.353 -0.368 30 20 DBED Cc1cc(C#N)nc(NC/C=C\CNC(=O)CS(C)(=O)=O)n1 1107105115 JVVMXWRQRWESPP-ARJAWSKDSA-N 323.378 -0.214 30 20 DBED COCC#CCN1CCO[C@@](C)(CNC(=O)c2[nH]nnc2C)C1 1108110510 QHMGPYZEXMSPAP-HNNXBMFYSA-N 321.381 -0.416 30 20 DBED COCC(=O)NCCC(=O)N[C@H](C)CNc1cncc(C#N)n1 1108166544 GHWBLPVRLCHZJC-SNVBAGLBSA-N 320.353 -0.582 30 20 DBED COc1ncc(C(=O)NC[C@@]2(C)CN(CC#N)CCO2)cn1 1108320717 NXKUQGBLFXHBTB-AWEZNQCLSA-N 305.338 -0.171 30 20 DBED C=CCN1CCO[C@@](C)(CNC(=O)[C@H]2CCCS2(=O)=O)C1 1108410490 REFYLBNFVBQZHX-OCCSQVGLSA-N 316.423 -0.043 30 20 DBED C=C(C)CN1CC(N2C[C@@H](NC(=O)CNC(C)=O)CC2=O)C1 1108496968 XSYQJCJMUVHUOF-LBPRGKRZSA-N 308.382 -0.900 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](C)CN(C)c1ncnc2c1nnn2C 1108880164 NYVZWEBMUGQNAD-DTWKUNHWSA-N 302.342 -0.141 30 20 DBED C[C@H](CN(C)c1ccc(C#N)nn1)NC(=O)[C@@H]1CCCNC1=O 1109128301 NTTCJUVSLAQCFU-ZYHUDNBSSA-N 316.365 -0.185 30 20 DBED CC(=O)NCC(=O)N[C@H]1CCN(c2cnc(C#N)cn2)C[C@H]1C 1112388445 PFHCLOGLTOMOSJ-MFKMUULPSA-N 316.365 -0.185 30 20 DBED CNC(=O)NCC(=O)N[C@H](C)[C@H](C)N=c1cc(C)[nH]cc1C#N 1113349604 GSWLAXLOMSUFQA-WDEREUQCSA-N 318.381 -0.082 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3cc(C)on3)[C@H]2C1 1113818477 CRCJISWPSACWTF-QWRGUYRKSA-N 302.334 -0.608 30 20 DBED N#CCNC(=O)CN1C[C@H]2C(NC(=O)Cc3cncs3)[C@@H]2C1 1114432525 CBHZTFNFVAJKCG-GHMZBOCLSA-N 319.390 -0.628 30 20 DBED C#CCN1C[C@@H]2C(NC(=O)COCc3ccnc(O)c3)[C@H]2C1 1114466043 MRRQLZNOODFYFO-STQMWFEESA-N 301.346 -0.017 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)C3(COC)CC3)[C@@H]2C1 1114559364 ADYSZOLVKYPIOT-VXGBXAGGSA-N 305.378 -0.791 30 20 DBED COCCC[C@H](C)C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1115086153 OSSBDZUUYVPERS-RMRHIDDWSA-N 322.409 -0.265 30 20 DBED Cc1cc(=N[C@H](C)CN(C)C(=O)[C@@H]2CNC(=O)N2)c(C#N)c[nH]1 1120632833 DLFSYTSEMDNJMZ-MFKMUULPSA-N 316.365 -0.376 30 20 DBED Cc1nn(C)cc1C(=O)NC[C@@H](CO)Nc1cnc(C#N)cn1 1121212945 KFPMUUWCJLNFHJ-NSHDSACASA-N 315.337 -0.407 30 20 DBED N#Cc1sc(N[C@H](CO)CNC(=O)CC(N)=O)nc1Cl 1121256695 DQHSFGKWHXVPKI-YFKPBYRVSA-N 317.758 -0.567 30 20 DBED CN1CCOC[C@@H]1C(=O)NC[C@@H](CO)Nc1ncccc1C#N 1121345877 HIWDCXYTAZHVKK-QWHCGFSZSA-N 319.365 -0.827 30 20 DBED COCC[C@@H](C)C(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1 1121606454 DQPJRIWYHXZSSO-GHMZBOCLSA-N 307.354 -0.668 30 20 DBED Cc1cc(=N[C@H](CO)CNC(=O)c2cnco2)c(C#N)c[nH]1 1122294927 YWDZADASHODFBN-NSHDSACASA-N 301.306 -0.126 30 20 DBED C[C@@H]1CCO[C@@H]1C(=O)NC[C@@H](CO)Nc1cncc(C#N)n1 1122584342 GKPPDKTYMRGMDY-CDMKHQONSA-N 305.338 -0.338 30 20 DBED N#Cc1nc(=NC[C@H]2CC[C@H](NC(=O)CC(N)=O)C2)cc[nH]1 1123750642 DFDPKOPXPONADN-UWVGGRQHSA-N 302.338 -0.658 30 20 DBED CC1(C)CN(C(=O)CNC(N)=O)C[C@@H]1Nc1cnc(C#N)cn1 1123902608 WJNIUPVOLUBGIP-JTQLQIEISA-N 317.353 -0.335 30 20 DBED C[C@H](NC(N)=O)C(=O)N(C)C[C@H](O)CNc1ccc(C#N)cn1 1124261813 HNSXXYSOHCXMPR-GXSJLCMTSA-N 320.353 -0.759 30 20 DBED CC(C)[C@@H](O)C(=O)N(C)C[C@H](O)CN=c1cc[nH]c(C#N)n1 1124295570 GFLVYJMQBZRIQO-ZWNOBZJWSA-N 307.354 -0.982 30 20 DBED C[C@@H](CC(N)=O)C(=O)N(C)C[C@@H](O)CNc1nccnc1C#N 1124688744 KDCVZJNTKDRODA-UWVGGRQHSA-N 320.353 -0.909 30 20 DBED CN(C[C@@H](O)CNc1ccc(C#N)nc1)C(=O)c1cnn[nH]1 1124898173 WSDAHKUWXBVEQB-NSHDSACASA-N 301.310 -0.384 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)c1ncccc1O 1126119869 YXQOPSFYPUGQEA-UHFFFAOYSA-N 321.337 -0.882 30 20 DBED C#CCN[C@@H]1CN(C(=O)CCN(C)CCC)C[C@@H]1n1ccnn1 1130096865 VSRQBTJBNBTAFP-CABCVRRESA-N 318.425 -0.015 30 20 DBED COc1cc(CC(=O)NCCNCC(=O)NCC#N)ccc1C 1131085791 SYWBNPIGOPCRMG-UHFFFAOYSA-N 318.377 -0.108 30 20 DBED CC#CCN1C[C@H](NC(=O)CCS(=O)(=O)NC)CC[C@@H]1C 1132037941 LDNOIAKEVUOLFF-QWHCGFSZSA-N 315.439 -0.082 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)Cc1nnc(C)o1 1134299340 QZBRMHIWCRPGON-MNOVXSKESA-N 321.381 -0.457 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1cnn(C(C)C)c1 1147579677 KCZLAVWQMSGLEH-LBPRGKRZSA-N 305.382 -0.079 30 20 DBED CN(C)c1cccc(C(=O)NCCNCC(=O)NCC#N)c1 1148948218 KQERBUAOTLVTSO-UHFFFAOYSA-N 303.366 -0.288 30 20 DBED C=C(Cl)CN1CCCO[C@@H](CNC(=O)Cn2cnnn2)C1 1149135889 AFLFPFJGGQTMCH-NSHDSACASA-N 314.777 -0.367 30 20 DBED C=CCNC(=O)CN(CC)[C@H](C)CNC(=O)C[C@H]1CCC(=O)N1 1155783831 WTVFJCHMPNKDRN-CHWSQXEVSA-N 324.425 -0.216 30 20 DBED CCN(CC#CCOC)[C@H](C)CNC(=O)c1ccc(=O)n(C)n1 1156758002 OMKAZHBZSPQALX-CYBMUJFWSA-N 320.393 -0.130 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@H]1CCCc2nn[nH]c21 1165278029 PVUYAHZPSWUESF-NSHDSACASA-N 318.381 -0.930 30 20 DBED CCOC1CC2(C1)C[C@@H]2C(=O)NCCCNCC(=O)NCC#N 1166585149 AIYFEWWZTAPQNY-MFOWVQHXSA-N 322.409 -0.073 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1c[nH]c(C)cc1=O 1170090087 WAVOMJNOHCHHCV-UHFFFAOYSA-N 304.350 -0.858 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)CNC(=O)C3CC3)C[C@@H]21 1176923020 FQGHRPXNDUKQBQ-KBPBESRZSA-N 305.378 -0.553 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)Cc2cc[nH]n2)[C@H]1C 1178396140 UJHRZYNAFFVEDT-AAEUAGOBSA-N 305.382 -0.167 30 20 DBED Cc1cc(C(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)n(C)n1 1181295291 RUWCGHNRSJUMOV-LLVKDONJSA-N 304.354 -0.828 30 20 DBED C#CCCNC[C@@H]1CCN(C(=O)CN2CCOCC2=O)C[C@H]1C 1184575441 CXZDCZDFVBESJM-CABCVRRESA-N 321.421 -0.057 30 20 DBED N#CCNCc1cn([C@@H]2CCCN(C(=O)c3cnn[nH]3)C2)nn1 1185963255 PRZCVCDLSLSRAN-LLVKDONJSA-N 315.341 -0.513 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)Cn2nccc2C)C1 1185985526 KXZVSQPUNAJKNU-UONOGXRCSA-N 317.393 -0.480 30 20 DBED C=CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3cn[nH]c3)[C@@H]2C1 1186960344 YTXJVIMQDSOUCI-WCQYABFASA-N 303.366 -0.142 30 20 DBED CN(CC(=O)NCC#N)[C@@H]1CCN(C(=O)C2CCOCC2)C1 1188579291 CNVHNVPXWHKRFZ-CYBMUJFWSA-N 308.382 -0.415 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)CCC(=O)NCC)C1 1189344431 BCJCZOVKDUNILZ-CYBMUJFWSA-N 324.425 -0.262 30 20 DBED C=CCN1CC[C@H](N2C[C@@H](O)[C@H](NC(=O)/C=C/C3CC3)C2)C1=O 1192062957 RKIRNYAUBHFFOK-IXSFSPNOSA-N 319.405 -0.099 30 20 DBED CCO[C@@H](C(=O)N[C@@H]1CN(CC#CCOC)C[C@H]1O)C(C)C 1192852172 FAGULLIGYSVETK-RBSFLKMASA-N 312.410 -0.141 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@@H]1CCN(C(=O)Cc2ncc[nH]2)C1 1193066081 GQOAJXRNIXQBNN-CHWSQXEVSA-N 317.393 -0.377 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)c2ccc(OC)nc2)C1 1194524066 SVEDMVDHHSGZDY-ZIAGYGMSSA-N 319.361 -0.485 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@@H]3C[C@@H]3C2)C1 1195525937 RJTPNCAWNOSEJW-PEZGRIKUSA-N 321.421 -0.116 30 20 DBED C=CCN1CC[C@@H](NC2CCN(C(=O)CNC(C)=O)CC2)C1=O 1199137764 IKQWAPOFXMPURH-CQSZACIVSA-N 322.409 -0.510 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H](CCCC)NC(N)=O)C1 1199345304 MILFGWQXSHXNPK-JHJVBQTASA-N 312.414 -0.049 30 20 DBED CC#CCNC[C@H]1CN(C(=O)CCn2cncn2)CCCO1 1199853422 NJJVYGCYXVUTNJ-AWEZNQCLSA-N 305.382 -0.101 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCCO[C@H](CNCC(=O)NC)C1 1200366273 BFNPBBYHTRXTGB-DOMZBBRYSA-N 313.398 -0.733 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H]2CC[C@H]1[C@H](NCCOC)C2 1204224920 DLHKONYEDYFTQS-MJBXVCDLSA-N 307.394 -0.259 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC(CNCc2nc(O)n[nH]2)CC1 1205265437 QGJLFRWHDRIMPZ-LLVKDONJSA-N 321.381 -0.123 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(CCC2CC2)C[C@H]1OC 1212149558 AHWQBCNVZMQGMT-ZIAGYGMSSA-N 307.394 -0.259 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)[C@H](C)N2CCOCC2)C[C@H]1C 1217099622 LFKUYXNKNBVBCC-OWCLPIDISA-N 323.437 -0.207 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CC1(C)C 1217648791 BQTNOHBBKZLRGH-MELADBBJSA-N 319.405 -0.307 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)c2coc(C(N)=O)c2)C1 1220055296 RHRAWSNFMOMUCG-NEPJUHHUSA-N 323.349 -0.644 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@H](C)C(F)(F)F)C1 1220157931 ARZPYZNQWIVOBP-AEJSXWLSSA-N 321.299 -0.905 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(CCCOC)C[C@@H]2O)cn1 1220793356 VLHFBZQBAYAPFC-CABCVRRESA-N 303.362 -0.126 30 20 DBED COCC#CCN1CC[C@@H]2CCN(C(=O)CNC(C)=O)C[C@@H]21 1222205213 AKRLVRQYODKZKY-CABCVRRESA-N 307.394 -0.305 30 20 DBED N#CCNC(=O)CN1CCC(NC(=O)C2=COCCC2)CC1 1226519062 QAJMDSOSAAXVLR-UHFFFAOYSA-N 306.366 -0.099 30 20 DBED C#CCO[C@H](C)C(=O)NC1CCN([C@H](C)C(=O)NC(N)=O)CC1 1227307522 CVRPDQRPHDAUTP-GHMZBOCLSA-N 324.381 -0.811 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[C@H]1C(N)=O 1228618530 MDFQIJGAOSCDFH-YVECIDJPSA-N 322.409 -0.573 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)c1cc(C)nn1C 1230906769 HNNIXPYRPMGDLM-CYBMUJFWSA-N 317.393 -0.376 30 20 DBED C#CCCCCC(=O)N(C)C[C@@H]1CCN1CC(=O)NC(N)=O 1233760303 AUUSWSFIVCKMAL-LBPRGKRZSA-N 308.382 -0.092 30 20 DBED C=CCNC(=O)NC(=O)CN(C)CCCNC(=O)c1cocn1 1235716076 KZCMSOJUWFIZRE-UHFFFAOYSA-N 323.353 -0.262 30 20 DBED C=CCN(C(=O)C(=O)N1CCN(CC)C(=O)C1)[C@H](C)COC 1261624236 PTNBQHFYWHYHJA-GFCCVEGCSA-N 311.382 -0.273 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)c(C(N)=O)c2)CCO1 1318367540 AXFBMYAPQCLJAX-SECBINFHSA-N 320.280 -0.386 30 20 DBED C#CCNC(=O)c1ccc(N(C)CCNS(C)(=O)=O)nc1 1318787197 HHXXWVJJDXVTQS-UHFFFAOYSA-N 310.379 -0.570 30 20 DBED COC(=O)[C@@H](NC(=O)CCN/C(O)=C1/N=CC=CC1=O)C1CC1 1319474892 OGWDSHCHLQLTLT-JOLOJFPGSA-N 321.333 -0.029 30 20 DBED C=CCCn1cc(C(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)nn1 1326162030 ZQHNORRGTFFJHE-JTQLQIEISA-N 304.310 -0.770 30 20 DBED N#C[C@]1(F)CCN(C(=O)C(=O)NCCCN2CCCCC2=O)C1 1326462400 JQJJFZRCZBDBSC-OAHLLOKOSA-N 324.356 -0.031 30 20 DBED CC[C@@H]1CO[C@H](C)CN1C(=O)C(=O)N1CC[C@](O)(CC#N)C1 1327020232 CVEYOSISEIEVMY-LALPHHSUSA-N 309.366 -0.111 30 20 DBED C[C@@H]1N(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)CCOC1(C)C 1327025070 RQHMSNMXQZLALZ-XHDPSFHLSA-N 309.366 -0.111 30 20 DBED CCNC(=O)C(C)(C)CNC(=O)C(=O)N1CCO[C@@H](C#N)C1 1327167259 PXIUJERWLRZKIP-JTQLQIEISA-N 310.354 -0.984 30 20 DBED Cn1cc([C@@H]2C[S@@](=O)CCN2CC(=O)NCCC#N)cn1 1328770485 HPWCHAPWSSIQCN-QKVFXAPYSA-N 309.395 -0.445 30 20 DBED C=CCN(C(=O)C(=O)NCc1nnc(C)n1C)[C@@H](C)COC 1330893596 MIEPNPMLJDSXII-JTQLQIEISA-N 309.370 -0.211 30 20 DBED CCN1CC[C@@H](NC(=O)C(=O)Nc2ccc(C#N)cn2)C1=O 1335852333 LLVDDVWLCNXDRB-SNVBAGLBSA-N 301.306 -0.371 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)NC2CCNCC2)CCN1C1CC1 1337455999 RDCNNLYAAPDGIL-CYBMUJFWSA-N 305.382 -0.947 30 20 DBED C=CCn1c(C[C@@H](C)O)nnc1N1CCN2CCOC[C@@H]2C1 1340326276 PDFZVSOIMYJRRX-OLZOCXBDSA-N 307.398 -0.092 30 20 DBED C#CCSCCNC(=O)C(=O)N1CCn2cnnc2[C@H]1C 1342541571 TZUNNFIYJAMPOB-SNVBAGLBSA-N 307.379 -0.336 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCC(C)(O)CC1 1347200432 KRIMPDZGBNQWFU-UHFFFAOYSA-N 318.395 -0.923 30 20 DBED CC(C)CN(CCN(C)C)C(=O)C(=O)N1CC[C@](O)(CC#N)C1 1349331049 PVAPBDITOYTEQT-MRXNPFEDSA-N 324.425 -0.090 30 20 DBED C#CCOCCN(C)C(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 1353520347 CZOGXRGZINABCW-RFHZTLPTSA-N 320.345 -0.743 30 20 DBED Cc1n[nH]c(C)c1CCNS(=O)(=O)N1CCO[C@@H](C#N)C1 1364894902 PQTSFNZZOBDSDA-NSHDSACASA-N 313.383 -0.372 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](C)CCNC(=O)c1cn(C)c(=O)n1C 1373300750 MIPHMRCSFNFAIU-VHSXEESVSA-N 307.354 -0.492 30 20 DBED CCN(CCNC(=O)C(C)(C)S(C)(=O)=O)C(=O)[C@H](C)C#N 1388454228 JEBAIBVPFPOEHB-SNVBAGLBSA-N 317.411 -0.066 30 20 DBED Cc1nn[nH]c1C(=O)N[C@H](C)CNC(=O)c1ccc(C#N)[nH]1 1389245109 QBXOQXKYRUWLGG-SSDOTTSWSA-N 301.310 -0.139 30 20 DBED CCCS(=O)(=O)CC(=O)NC[C@@H]1CCN1C(=O)[C@@H](C)C#N 1389638831 DDVCUPGTBQFWSG-QWRGUYRKSA-N 315.395 -0.312 30 20 DBED CC(C)c1nn(C)cc1C(=O)NC[C@@H](O)CNC(=O)[C@@H](C)C#N 1392099856 QLBFLZGWPFILTH-QWRGUYRKSA-N 321.381 -0.090 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2CCCN2C(N)=O)C1 1396539741 MGVGZTBBKRSXMD-YFKTTZPYSA-N 321.381 -0.300 30 20 DBED C[C@H](C#N)C(=O)NC1CN(C(=O)CCNC(=O)c2ccco2)C1 1398678223 CNVPDMODPMXRHH-SNVBAGLBSA-N 318.333 -0.114 30 20 DBED CC[C@@H](CNC(=O)c1ccc2nnnn2c1)NC(=O)[C@H](C)C#N 1399015784 BPZBQHDPRGJDOW-KOLCDFICSA-N 315.337 -0.091 30 20 DBED COCC(=O)NCCC(=O)N[C@H](C)C1CN(C(=O)[C@H](C)C#N)C1 1411963578 VISMAAFBYMFWDO-GHMZBOCLSA-N 324.381 -0.738 30 20 DBED COCCN(CCC#N)S(=O)(=O)NC[C@@]1(C)CCC(=O)N1 1424183323 CYTDXDWTQOOESQ-GFCCVEGCSA-N 318.399 -0.648 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@@H](C)CNC(=O)CCS(C)(=O)=O 1426693212 CDZGFDVZEPTHRG-UWVGGRQHSA-N 303.384 -0.456 30 20 DBED C[C@H](C#N)C(=O)N1CC([C@@H](C)NC(=O)CCn2cncn2)C1 1426994615 CNRSDTFPXTXTSG-GHMZBOCLSA-N 304.354 -0.209 30 20 DBED CC(C)(C)OC(=O)Cn1cc(C(=O)N2CCO[C@@H](C#N)C2)nn1 1443308590 CCZUEBQZYBIFST-JTQLQIEISA-N 321.337 -0.016 30 20 DBED C[C@H]1CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)C[C@H]1CO 1453948648 KSESECWNQLZYEH-ONGXEEELSA-N 306.322 -0.703 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CCN(C(=O)c2cc(C(N)=O)ccn2)C1 1454042989 DPBWPCVUJBZOIQ-GXSJLCMTSA-N 315.333 -0.329 30 20 DBED C[C@H](COCC1CC1)NC(=O)Cn1cc(C#N)c(O)nc1=O 1469829695 VNMLDNBPLJNBCT-SECBINFHSA-N 306.322 -0.248 30 20 DBED C[C@H](C#N)C(=O)N(C)CCN(C)c1cnc(-c2nn[nH]n2)cn1 1573560606 DLEGQZRJDBYEKE-SECBINFHSA-N 315.341 -0.289 30 20 DBED C#CCN1CCC(C(=O)N[C@@H](CC2CNC2)C(=O)OCC)CC1 1574673582 OGFVRXRYBVIIKD-HNNXBMFYSA-N 321.421 -0.011 30 20 DBED C[C@@H](Nc1cnc(-c2nn[nH]n2)c(C#N)n1)c1nnc(O)n1C 1575438101 FUSRGGYSGYBXSW-RXMQYKEDSA-N 313.285 -0.464 30 20 DBED N#C[C@@H]1CSCCN1C(=O)C[C@H]1CNCCS1(=O)=O 1580044919 MCOBNWFDUXBCOO-ZJUUUORDSA-N 303.409 -0.769 30 20 DBED C#C[C@H](CO)NS(=O)(=O)c1ccc(OCCC(=O)O)cc1 1588370834 OJWDYXGPAQSRIB-SNVBAGLBSA-N 313.331 -0.188 30 20 DBED C=CCS(=O)(=O)CCNC(=O)Cn1ccc(C(=O)O)n1 1588879281 YYGKWKXHDBQLDY-UHFFFAOYSA-N 301.324 -0.702 30 20 DBED C[C@](C#N)(NC(=O)CN1CCC([C@@H](O)C(=O)O)CC1)C1CC1 1589323391 CBNOLVKARIKCKA-UKRRQHHQSA-N 309.366 -0.048 30 20 DBED CON(C(=O)CCN/C(O)=C1\N=CC=CC1=O)[C@@H](C)C(=O)O 1594037102 UBGPHAUKCOARSE-BVKVCPRXSA-N 311.294 -0.234 30 20 DBED CN(C)c1cc(C#N)cc(C(=O)NCC(=O)NCC(=O)O)c1 1598288143 RSPOGZAAITYYAA-UHFFFAOYSA-N 304.306 -0.445 30 20 DBED N#C[C@H]1CN(S(=O)(=O)NC[C@H](CC(=O)O)C2CC2)CCO1 1601062842 KIPVWOOENKQORK-QWRGUYRKSA-N 317.367 -0.454 30 20 DBED C=CC[C@@H](C(=O)O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 1602835741 WJNUISCRVNRAGF-NEPJUHHUSA-N 302.396 -0.180 30 20 DBED C[C@H]1C[C@H](C(=O)O)CN(C(=O)Cn2cc(C#N)c(O)nc2=O)C1 1603360537 SQGSZSSKBMAQCR-IUCAKERBSA-N 320.305 -0.610 30 20 DBED CCN(CCCNC(=O)c1cncnc1C)CC(=O)NCC#N 1752169474 OAOYTUMPXZBPSL-UHFFFAOYSA-N 318.381 -0.133 30 20 DBED C#CCNC(=O)CN[C@@H](CNC(=O)[C@]1(C)CCOC1)C1CC1 1752489446 DWSBHTJVZSKKNN-XJKSGUPXSA-N 307.394 -0.353 30 20 DBED CN(CCNCC(=O)NCC#N)C(=O)C12CCCN1CCC2 1753207360 FDBPEHDPKOYBGH-UHFFFAOYSA-N 307.398 -0.697 30 20 DBED COCC#CCN1CC(NC(=O)[C@@H]2CCC[C@@H](C(N)=O)C2)C1 1753389758 POQOUZPBYCLMQO-CHWSQXEVSA-N 307.394 -0.272 30 20 DBED C=CCNC(=O)CNC[C@@H](C)N(C)C(=O)C[C@@H]1CCC(=O)N1 1753715667 BPEIQHYSAJXSMW-NEPJUHHUSA-N 310.398 -0.606 30 20 DBED C=C(C)CN(C)CCN(C)C(=O)CN1C(=O)C(=O)N(C)C1=O 1753864391 JTENREJLRUKVQD-UHFFFAOYSA-N 310.354 -0.627 30 20 DBED C=CCN1CC[C@H](NC[C@@H](C)NC(=O)[C@H]2CCCN2C)C1=O 1754238506 UPNUBQLSFWOPSI-HZSPNIEDSA-N 308.426 -0.038 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@H](C)NC(=O)Cc1cnn(C)c1 1754260800 NVAHOKLLPQBSHT-NWDGAFQWSA-N 305.382 -0.805 30 20 DBED COC[C@@H](C)CC(=O)N1CCC[C@H]1CNCC(=O)NCC#N 1754619478 ZVVHKTVRIMAFLB-STQMWFEESA-N 310.398 -0.121 30 20 DBED CCCN(C)CC(=O)N1CC[C@@](C)(CNCC(=O)NCC#N)C1 1754711171 VZAUJNVIWAHTQC-INIZCTEOSA-N 323.441 -0.204 30 20 DBED CC[C@@H](C)NC(=O)CN1CC[C@](O)(CNC(=O)C#CC2CC2)C1 1754748448 IZUHAMMHUUHGNP-DYVFJYSZSA-N 321.421 -0.133 30 20 DBED C[C@H]1CCCN(C(=O)C(=O)NC[C@]2(O)CCN(CC#N)C2)C1 1754758297 CTVZMISRICEZLD-SWLSCSKDSA-N 308.382 -0.679 30 20 DBED C=C(C)CN1CC(O)(CNC(=O)[C@H]2CCc3nnc(C)n3C2)C1 1754779539 POCJZQDVFQCNTR-ZDUSSCGKSA-N 319.409 -0.112 30 20 DBED C=C(C)CNC[C@H]1CN(C(=O)CN2C(=O)CNC2=O)C[C@H]1C 1754826617 DRYKEIHRSZZPHL-NEPJUHHUSA-N 308.382 -0.202 30 20 DBED C[C@H](C(N)=O)N1CCC[C@@](CO)(NC(=O)C#CC(C)(C)C)C1 1754856460 LNCNNGMQXBVLPF-MLGOLLRUSA-N 309.410 -0.147 30 20 DBED C=CCOCCN1C[C@H]2CC[C@H]1CN2C(=O)[C@@H]1COC(=O)N1 1755395514 XFQPVBMDGVPBNT-XQQFMLRXSA-N 309.366 -0.027 30 20 DBED C=CCCN[C@H](CO)CNC(=O)[C@H]1CCc2nnn(C)c2C1 1755637189 VKZMELPGVABQFA-RYUDHWBXSA-N 307.398 -0.437 30 20 DBED C#CCNC(=O)CN[C@H](CO)CNC(=O)c1cc(C)ccc1C 1755645533 SMKZMVMIKVQBOA-AWEZNQCLSA-N 317.389 -0.267 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@H](C)N(C)C(=O)CN(C)C(C)=O 1756019476 AFFULHVILCZFBR-IAQYHMDHSA-N 313.398 -0.245 30 20 DBED C=CCn1cc(C(=O)N[C@H](C)CN(C)C(=O)c2cnon2)nn1 1756486036 LAEDSGWSEUALAQ-SECBINFHSA-N 319.325 -0.262 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H](CO)CNC(=O)c1cscn1 1756519728 UFXAQVXEWNPWPV-NXEZZACHSA-N 313.379 -0.059 30 20 DBED C[C@@H]1C[C@H](NC(=O)CC(=O)N(C)C)CN1C(=O)C#CC1CC1 1756588128 NSUUJWPHZBOKQX-YPMHNXCESA-N 305.378 -0.016 30 20 DBED CC(C)N(CCN(C)C(=O)[C@@H]1CCNC1=O)C(=O)[C@@H](C)C#N 1756699683 GTEBXPANDMGRLY-NWDGAFQWSA-N 308.382 -0.022 30 20 DBED C=CCCO[C@H](C)C(=O)N1CC=C(CNC(=O)C(N)=O)CC1 1756780189 YCDCNIMRRMVHJM-LLVKDONJSA-N 309.366 -0.272 30 20 DBED C#CCOCCC(=O)N1C[C@H](O)[C@H](NC(=O)c2cnc(C)[nH]2)C1 1757161601 ICVCOSKTYNLNLZ-OLZOCXBDSA-N 320.349 -0.940 30 20 DBED CS(=O)(=O)CCNN=Cc1ccn([C@H]2C[C@H](C(=O)O)C2)n1 1776054231 QREDSZXPJXUIDX-HOMQSWHASA-N 314.367 -0.113 30 20 DBED C=CCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CNC(=O)C3)C2)C1 1783166585 LZLZCODUXPQYSU-BLLLJJGKSA-N 321.377 -0.472 30 20 DBED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)=O)CCO2 1834726729 YZOSYVRQXPBEKF-MRXNPFEDSA-N 322.361 -0.555 30 20 DBED C=C(C)CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@@H]1O 29229332 NEUYKBQKOBZILD-RTOGKPCTSA-N 321.337 -0.574 30 20 DBED CC[C@H](CC#N)NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 183923110 KLXLTRBKUGLNOC-SECBINFHSA-N 318.337 -0.758 30 20 DBED NC(=O)[C@@H]1CC[C@H](CNC(=O)C#Cc2ccc3c(c2)OCO3)O1 268555362 XDUHKBBNSPCVHI-YPMHNXCESA-N 316.313 -0.084 30 20 DBED C=C[C@@H](CO)NC(=O)[C@H](C)NC1=NS(=O)(=O)c2ccccc21 290604099 NITWOFLKHGVVFY-UWVGGRQHSA-N 323.374 -0.223 30 20 DBED C[C@@H](C/N=C(/O)N1C[C@H]2COC[C@@H](C1)O2)CN1CCOCC1 328761453 YCCMCOWILNQMOP-MELADBBJSA-N 313.398 -0.032 30 20 DBED O=C1CN(/C(O)=N/C[C@@H]2CCCS(=O)(=O)C2)CN1C1CC1 329366423 KKNTVSUOTKSAIK-JTQLQIEISA-N 315.395 -0.011 30 20 DBED CCN(CCC#N)S(=O)(=O)N[C@@H]1CCC[C@@H]1C(=O)NC 336883065 GFCNPAGBBKXHRN-WDEREUQCSA-N 302.400 -0.029 30 20 DBED CCN(C[C@H]1CCCO1)S(=O)(=O)N1CCO[C@H](C#N)C1 336928132 YQVYSYDMFQCHIE-VXGBXAGGSA-N 303.384 -0.044 30 20 DBED CC[C@H]1CN(S(=O)(=O)N2CCO[C@H](C#N)C2)CCCO1 337201438 FXXQVFDELOSRTQ-NWDGAFQWSA-N 303.384 -0.044 30 20 DBED COCCN(C)CCCNC(=O)C(=O)N1CCC(C#N)CC1 340585728 UESLWFFSHGPECQ-UHFFFAOYSA-N 310.398 -0.167 30 20 DBED CC#CCCCC(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 342190534 QWEFEYPDKHEPFT-GFCCVEGCSA-N 314.407 -0.010 30 20 DBED C[C@H](C(=O)NCC(=O)NCC#N)N1C(=O)[C@H]2CCCC[C@H]2C1=O 344181212 RMAPEGNEQVLSRA-MXWKQRLJSA-N 320.349 -0.694 30 20 DBED N#Cc1ncn(CCNC(=O)N2C[C@@H]3[C@H]4CC[C@@H](O4)[C@H]3C2)n1 347630072 HFCSUKXWJRZKCP-NNYUYHANSA-N 302.338 -0.031 30 20 DBED C[C@H](Oc1ccc(C#N)cc1)C(=O)NCCN1C(=O)CNC1=O 354464624 LPYUYLBHOQIICK-JTQLQIEISA-N 316.317 -0.006 30 20 DBED C=CCNC(=O)CN1CCN(c2cncc3nncn23)CC1 360141364 ATVLPIMNWVREAM-UHFFFAOYSA-N 301.354 -0.452 30 20 DBED C#CCCCS(=O)(=O)N1CCCN(S(C)(=O)=O)CC1 374002757 NJDSSRGTTVPGKE-UHFFFAOYSA-N 308.425 -0.303 30 20 DBED N#Cc1ccc(OCCNC(=O)C(=O)N[C@H]2CCCNC2)cc1 419461791 IJTOITHYQCMISP-ZDUSSCGKSA-N 316.361 -0.079 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CCNC(C)(C)C2)C1=O 423486761 CDWBWKSNXRKNIN-LBPRGKRZSA-N 322.409 -0.558 30 20 DBED C=CC[C@@H](CO)CNC(=O)NCCNS(=O)(=O)NC(C)C 429139024 WXNWWKNNWWHUOT-LLVKDONJSA-N 322.431 -0.697 30 20 DBED Cn1c(N2CC[C@@H]3C[C@H](O)CC[C@H]3C2)c(C#N)c(=O)n(C)c1=O 450814651 RGHGGFHPUWGUNE-GRYCIOLGSA-N 318.377 -0.057 30 20 DBED C#CCN1CCN(S(=O)(=O)c2ccc(C(=O)OC)nc2)CC1 491741749 ZNRIYIXPBBIQGL-UHFFFAOYSA-N 323.374 -0.192 30 20 DBED CNC(=O)OC[C@H]1CCCCN1C(=O)NCC(=O)NCC#N 497063181 MFCXGTVLPYDMRR-SNVBAGLBSA-N 311.342 -0.454 30 20 DBED C=CCOC[C@H](NS(=O)(=O)c1cnc2n1CCC2)C(=O)O 516058493 CKDUPRFWWWIHGQ-VIFPVBQESA-N 315.351 -0.237 30 20 DBED C[C@@H](NC(=O)Cc1ccc(C#N)nc1)C(=O)N1CCOCC1 528283272 NQNSMMGRMACHMJ-LLVKDONJSA-N 302.334 -0.141 30 20 DBED C[C@H]1CN(C[C@@H](O)CN2CCN(C(=O)CC#N)CC2)C[C@@H](C)O1 563363015 HTCGOCAVLGXXSR-ZNMIVQPWSA-N 324.425 -0.486 30 20 DBED CNS(=O)(=O)[C@H]1CCN(S(=O)(=O)c2ccc(C#N)o2)C1 577973004 VMQZWQALAZYCQJ-VIFPVBQESA-N 319.364 -0.537 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@H]1CC[C@@H](CO)C1 580725736 UTAHTFYIVQFWBV-NEPJUHHUSA-N 305.400 -0.156 30 20 DBED C[C@H](O)CN1CCN(C(=O)Nc2nn(C)cc2C#N)[C@H](C)C1 585797429 XDVIBDJAYVLMIA-MNOVXSKESA-N 306.370 0.211 30 20 DBED Cc1ccc2c(c1)N(C(=O)C(=O)NCC(=O)NCC#N)CC2 588719870 GVDNKMHHPFIACE-UHFFFAOYSA-N 300.318 -0.360 30 20 DBED CN1CCC(C#N)(NC(=O)Cn2nc3n(c2=O)CCCC3)CC1 593111550 MVXAUZJJDSPFAO-UHFFFAOYSA-N 318.381 -0.515 30 20 DBED CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N(C)CC(C)(C)C#N 596747830 KALPWHIOTUFPTG-VHSXEESVSA-N 303.384 -0.010 30 20 DBED Cc1cccc(NC(=O)C(=O)NC[C@@H]2COCCN2)c1C#N 599899079 LEIBSELMCDIHOA-LLVKDONJSA-N 302.334 -0.090 30 20 DBED C=CCCNC(=O)C(=O)Nc1cnn(CCN2CCOCC2)c1 658388748 BXNWGGWKZRSADV-UHFFFAOYSA-N 321.381 -0.154 30 20 DBED CN(CC#CCN(C)Cc1nnc(O)o1)Cc1nnc(O)o1 660845526 QPQRUHGKVGYFMI-UHFFFAOYSA-N 308.298 -0.569 30 20 DBED COC(=O)c1coc(Cn2c(N)nc(-c3nn[nH]n3)c2C#N)c1 736957476 RBGZHOHXTUIBNH-UHFFFAOYSA-N 314.265 -0.055 30 20 DBED COC(=O)[C@H](CC(=O)O)NS(=O)(=O)c1ccc(C#N)nc1 737576663 UDMRLMWPBMWNFW-VIFPVBQESA-N 313.291 -0.752 30 20 DBED C#CCOCCNC(=O)Nc1cnn(CC(=O)NCCOC)c1 752684056 DTFZTSMKXCNCEF-UHFFFAOYSA-N 323.353 -0.583 30 20 DBED C#CCNS(=O)(=O)N1CCN(CCCOC(C)C)CC1 761033652 YSMZGKCHLUMXJR-UHFFFAOYSA-N 303.428 -0.113 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2cn(CCC)nn2)CC1 766410542 HRGZQNTXWFQVSF-UHFFFAOYSA-N 318.381 -0.805 30 20 DBED CN(CCC#N)S(=O)(=O)N[C@H](CC1CCOCC1)C(=O)O 776598643 COOGWHNXQFLAOF-LLVKDONJSA-N 319.383 -0.064 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N1CCN(C(=O)OC)CC1 783296422 HDOPUNQOUDVYLK-UHFFFAOYSA-N 319.383 -0.319 30 20 DBED C#CCOCCNC(=O)C(=O)Nc1cc(C(=O)OC)n(C)c1 785165871 VBXCUZCOWCYCDW-UHFFFAOYSA-N 307.306 -0.484 30 20 DBED C#CCC[C@H](O)CNC(=O)Cc1ccc(S(N)(=O)=O)cc1 799081849 PHGNKNIRYHATDL-LBPRGKRZSA-N 310.375 -0.233 30 20 DBED C#C[C@H](NC(=O)N1CCC[C@H](S(N)(=O)=O)C1)[C@H]1CCCO1 799974667 DMYFNXYXMUIHFV-SDDRHHMPSA-N 315.395 -0.370 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)NCCNC(=O)c1ccco1 800002222 DOHZNIWLNUBLID-SNVBAGLBSA-N 314.367 -0.065 30 20 DBED C[C@H](O)[C@@H]1C[C@H](C)CCN1S(=O)(=O)N1CCO[C@H](C#N)C1 800123841 PZIYNQDIYGQHBW-XQHKEYJVSA-N 317.411 -0.063 30 20 DBED C#CCCCS(=O)(=O)N1CCN(S(=O)(=O)CC)CC1 804976063 QGXTUKVJZRWBKK-UHFFFAOYSA-N 308.425 -0.303 30 20 DBED C#CCCCNC(=O)C(=O)NC[C@H]1COC2(CCOCC2)O1 806708659 PMBNWDKDCYHTRZ-LBPRGKRZSA-N 310.350 -0.446 30 20 DBED C#CCCCNC(=O)C(=O)N1CC[C@H](NC(=O)NC2CC2)C1 806910985 GLNZVLWCTUQTNE-LBPRGKRZSA-N 306.366 -0.422 30 20 DBED N#Cc1cc(C(=O)OCCn2ncc(-c3nn[nH]n3)c2N)c[nH]1 826383664 KXKWMABGUWJHGO-UHFFFAOYSA-N 313.281 -0.298 30 20 DBED N#C[C@@H]1CNC[C@@H]1NC(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O 834511528 LZIQBERSWRSBPD-LPWJVIDDSA-N 318.377 -0.221 30 20 DBED N#Cc1cc(CN2CCOCC2)cn(CC2OCCO2)c1=O 853706550 LYLBACMNKCWUMJ-UHFFFAOYSA-N 305.334 -0.075 30 20 DBED COC(=O)COCCNC(=O)NCCNc1ncccc1C#N 858834630 JCFYGMGSWVAOMN-UHFFFAOYSA-N 321.337 -0.146 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)Nc1cncc(OC)n1 862192579 GRWWTQCLCUGIGR-JTQLQIEISA-N 306.322 -0.032 30 20 DBED C#CC1(O)CN(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)C1 890520353 WJAKSADHTICZGV-UHFFFAOYSA-N 308.359 -0.243 30 20 DBED Cc1nc(C#N)c(N2CCN(C(=O)CN3CC[C@H]3CO)CC2)o1 934021647 PKBRFRSWANIXBD-LBPRGKRZSA-N 319.365 -0.430 30 20 DBED C#Cc1cncc(C(=O)NC[C@@H]2CCCCN2C(=O)C(N)=O)c1 937465778 CNJUCWABAHUIQL-ZDUSSCGKSA-N 314.345 -0.341 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CCN1CCOCC1 937522311 XABHTBWZFAKOKY-IHRRRGAJSA-N 320.393 -0.320 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 940451888 WBGAOTISYKKGRG-ZJUUUORDSA-N 322.365 -0.486 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CCN(CC(N)=O)C[C@H]2C)cn1 944216287 YFJMLUJBCWRHJR-BXUZGUMPSA-N 300.362 -0.012 30 20 DBED Cn1nnc(C(=O)N2CC[C@H]2CNC(=O)c2cc(C#N)c[nH]2)n1 949301716 IBJCFIJCSIHJLO-VIFPVBQESA-N 314.309 -0.946 30 20 DBED O=C(NC[C@H]1CCN1C(=O)C#CC1CC1)[C@@H]1CCCS1(=O)=O 950264782 NJXASVBHNWZQBN-OLZOCXBDSA-N 324.402 -0.306 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]1CNC(=O)c1ccc2nn[nH]c2n1 950552582 GYGXZXYFBWLJEE-IUCAKERBSA-N 313.321 -0.157 30 20 DBED CC#CCN1CCN(C(=O)C2CC3(C2)NC(=O)NC3=O)CC1 951706778 KHRAHAZUFDIGCP-UHFFFAOYSA-N 304.350 -0.858 30 20 DBED C[C@@H](C(=O)N(C)C1CN(C(=O)C#CC2CC2)C1)[C@H]1CCC(=O)N1 955409546 FCDFXLNPLFNTDA-BXUZGUMPSA-N 317.389 -0.016 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2cn(C3CCC3)nn2)C1 958072803 GECMWQNELSYUGY-RISCZKNCSA-N 303.366 -0.341 30 20 DBED COCCn1cc(C(=O)NC[C@@H]2CN(CC#N)C[C@H]2O)cn1 958634951 DIESJLVNKDPERP-DGCLKSJQSA-N 307.354 -0.924 30 20 DBED C#CCCN1C[C@H](O)[C@H](CNC(=O)C2CCN(CC#C)CC2)C1 958723910 KJECISJKJPXNJG-SJORKVTESA-N 317.433 -0.236 30 20 DBED C#CCN1CCN(S(=O)(=O)C2CN(C(=O)C(C)C)C2)CC1 961072724 FHPGOAPBUHXHFQ-UHFFFAOYSA-N 313.423 -0.566 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1[C@@H]2CN(Cc3nnn(C)n3)C[C@@H]21 961826359 OLDVRYBOZXRBPO-JLDUMIBSSA-N 318.381 -0.652 30 20 DBED C#CCOc1ccc(C(=O)N[C@H]2[C@@H]3CN(CC(N)=O)C[C@@H]32)cc1 961994142 ODUAZNMILLXREM-FOLVSLTJSA-N 313.357 -0.156 30 20 DBED C#Cc1ccc(C(=O)NC2[C@H]3CN(CC(=O)N(C)C)C[C@H]23)cn1 962324907 GRHSXISYSZCLLQ-KBPBESRZSA-N 312.373 -0.189 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H]2CCCCN2C(=O)CC(N)=O)c1 964450746 IBQWCSFFAKBEHI-LLVKDONJSA-N 317.349 -0.127 30 20 DBED C=CCCN1CC[C@H](C)[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 966171053 ZPLVXHWHQJTUPB-NWDGAFQWSA-N 320.397 -0.220 30 20 DBED C#CCN1CCC(C(=O)N[C@@H]2CN(CC(N)=O)CC[C@@H]2C)CC1 968682536 SCDJFSQZHDTUTF-DZGCQCFKSA-N 320.437 -0.357 30 20 DBED CN1CCOC[C@@H]1C(=O)N1CC[C@@]2(CN(CC#N)CCO2)C1 972348406 MNBHDKSZRVGLGP-UKRRQHHQSA-N 308.382 -0.856 30 20 DBED C=CCN(C)[C@H]1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)C1 972554874 MBPZTZPQXLAUPZ-LBPRGKRZSA-N 306.366 -0.355 30 20 DBED Cn1cnc(C(=O)N[C@H]2C[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)n1 973142595 MPNYSLRHXBKUCJ-MGCOHNPYSA-N 313.321 -0.294 30 20 DBED C[C@H](C(N)=O)N1C[C@H]2[C@H](CNC(=O)c3c[nH]c(C#N)c3)[C@H]2C1 978030536 VVHOHJAESRGQEA-STRQVWJDSA-N 301.350 -0.332 30 20 DBED C#Cc1cncc(C(=O)N(C)C[C@H]2CCN2C(=O)C(N)=O)c1 978358487 CWPBFSBXHCBDMD-GFCCVEGCSA-N 300.318 -0.779 30 20 DBED C=CCCN1C[C@H]2C(CNC(=O)[C@H]3CC[C@@H](C(N)=O)O3)[C@@H]2C1 978710940 ZVFXXTSYDCMGKG-XDQVBPFNSA-N 307.394 -0.111 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H](N(C)C(=O)c2nnn(C)n2)C1 984584303 GVRFABQPIFKDFB-UWVGGRQHSA-N 305.342 -0.567 30 20 DBED C=C(C)CN[C@@H]1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)[C@H]1C 987104763 RYTURCWSCFVFGN-WCQYABFASA-N 320.393 -0.147 30 20 DBED CC(C)C(=O)N[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1n1ccnn1 990817175 XEXUZHCZYSBBDQ-UTUOFQBUSA-N 304.354 -0.038 30 20 DBED CC(=O)N1CC(C(=O)NC2CN(C(=O)c3ccc(C#N)[nH]3)C2)C1 991042175 GCFIYPDETFLMOW-UHFFFAOYSA-N 315.333 -0.695 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)c2ncn(C)n2)C1 991180607 VYIMZVXASSCWKK-MNOVXSKESA-N 305.338 -0.653 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)Cc3nc[nH]n3)C[C@]2(C)C1 993466186 FVFCXSDFEBESLN-ZIBATOQPSA-N 316.365 -0.186 30 20 DBED C[C@H](C#N)C(=O)N1CC(NC(=O)c2cccc(C(N)=O)n2)C1 994324569 QCRCRYXXVHYIMR-MRVPVSSYSA-N 301.306 -0.719 30 20 DBED CC(=O)N[C@@H]1CC(=O)N(C2CN(C(=O)c3c[nH]c(C#N)c3)C2)C1 995455688 MEKIMFCOLYZQOS-GFCCVEGCSA-N 315.333 -0.552 30 20 DBED C=CCN1CC[C@@H](N[C@H]2CN(C(=O)CC(N)=O)CC2(C)C)C1=O 995567959 VIMSBTDWPATNTO-NEPJUHHUSA-N 322.409 -0.525 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(NC(=O)c2cnon2)C1 998238546 HPVGSOFZFCFSMK-PWSUYJOCSA-N 306.322 -0.009 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C(N)=O)cn1 998956016 DVRYJVKIGMHFFE-AGIUHOORSA-N 312.329 -0.590 30 20 DBED CN1CC(=O)N(CC(=O)N(C)C2CCN(CC#N)CC2)C1=O 1006376313 BGTUXSGEJQEVTO-UHFFFAOYSA-N 307.354 -0.673 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)C(N)=O)[C@@H]2C)cn1 1012018309 ZSMMUDUWEHRRPT-BXKDBHETSA-N 300.318 -0.733 30 20 DBED C#Cc1cncc(C(=O)N2CCC[C@@H](NC(=O)C(N)=O)[C@H]2C)c1 1015197588 ZVESLRMNZSQFIK-ZWNOBZJWSA-N 314.345 -0.343 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCN([C@H](CC)C(N)=O)C2)nn1 1015810873 SZOSCHLMXAFWCE-CMPLNLGQSA-N 306.370 -0.468 30 20 DBED O=C(C#CC1CC1)N1CC2(CCN(C(=O)Cn3cncn3)C2)C1 1019011674 TVMUWHINSHLVTI-UHFFFAOYSA-N 313.361 -0.248 30 20 DBED C#CCN1[C@H]2CC[C@H]1CC(NC(=O)c1cn(C)c(=O)nc1O)C2 1021458807 WOQCJXBKTWELIO-RYUDHWBXSA-N 316.361 -0.156 30 20 DBED N#Cc1c[nH]c(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC3(F)F)C2)c1 1023613271 WBYYQOHOLSABGH-JMJZKYOTSA-N 324.287 -0.157 30 20 DBED N#CCN[C@@H]1CC[C@@H]2CN(C(=O)Cn3c(O)nnc3O)C[C@H]21 1026406979 IICFXZMHSFSTDM-OPRDCNLKSA-N 306.326 -0.961 30 20 DBED C#CCN1CC[C@@H](CNC(=O)c2cn(CC(=O)N(C)C)nn2)C1 1029003844 PSLFCNVBDABWKV-LBPRGKRZSA-N 318.381 -0.949 30 20 DBED C#CCN1[C@H]2CC[C@H]1CN(C(=O)[C@H]1COCCN1C(C)=O)C2 1029589482 LJEYLDLVPLWFME-SOUVJXGZSA-N 305.378 -0.458 30 20 DBED C=C(Br)CN1CC(NC(=O)Cn2ncnn2)C1 1030315794 LXECQJMACOHEAL-UHFFFAOYSA-N 301.148 -0.618 30 20 DBED N#Cc1c[nH]c(C(=O)NCC2CN(CC(=O)NC3CC3)C2)c1 1031603709 VVOPRHDBGXTHOY-UHFFFAOYSA-N 301.350 -0.173 30 20 DBED Cc1nc[nH]c1C(=O)NC[C@]1(O)CCN(C(=O)[C@H](C)C#N)C1 1040276566 YMTPLRJXBFCYCW-YMTOWFKASA-N 305.338 -0.429 30 20 DBED C[C@@]1(C(=O)NC[C@]2(O)CCN(C(=O)C#CC3CC3)C2)CCOC1 1040697903 AYLCCJWVAHNZIX-IAGOWNOFSA-N 320.389 -0.094 30 20 DBED Cc1cc(C(=O)N2CC[C@@](O)(CNC(=O)[C@H](C)C#N)C2)nn1C 1040762769 LEADXQSYCQEWAK-MEBBXXQBSA-N 319.365 -0.419 30 20 DBED Cc1cc(C(=O)N[C@@H]2CN(c3cnc(C#N)cn3)C[C@H]2O)on1 1040930216 AFPSDADKDUPPMH-GHMZBOCLSA-N 314.305 -0.376 30 20 DBED N#Cc1nccnc1N1C[C@@H](O)[C@H](NC(=O)[C@@]23COC[C@@H]2C3)C1 1041402366 WXPNBWUAPZLRKD-NFOTXUCKSA-N 315.333 -0.950 30 20 DBED O=C(NCC1(O)CN(C(=O)C#CC2CC2)C1)c1cncs1 1041742574 ALJQZVHOBSKHKK-UHFFFAOYSA-N 305.359 -0.140 30 20 DBED COc1cc(C(=O)NCC2(O)CN(C(=O)[C@H](C)C#N)C2)on1 1042688194 MJLADZUMLXQULK-MRVPVSSYSA-N 308.294 -0.854 30 20 DBED C=C(C)CCC(=O)N1CC(O)(CNC(=O)[C@H]2COC(=O)N2)C1 1042861339 FZHHINQDNCHYBG-SNVBAGLBSA-N 311.338 -0.859 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1044464505 PLVXZPNYTXKTRB-GDNZZTSVSA-N 308.378 -0.220 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)[C@@H](C)c2cnn(C)c2)C1 1045551659 KOGAZWCNAQYXKA-QWRGUYRKSA-N 319.365 -0.627 30 20 DBED C=C[C@@](C)(CC)C(=O)NCC1(O)CN(C(=O)c2cnnn2C)C1 1045777705 MTPOQDWFBYMRCB-AWEZNQCLSA-N 321.381 -0.280 30 20 DBED C#CCN1CC[C@@H](N2CCN(C(=O)C3CN(C(C)=O)C3)CC2)C1 1046024055 CUKAIPDMLHMHQS-MRXNPFEDSA-N 318.421 -0.684 30 20 DBED C#CCN1CC[C@H](N2CCN(C(=O)[C@H]3CCN(C)C3)CC2)C1 1046083000 ZVVFPNPXDBPOGK-HOTGVXAUSA-N 304.438 -0.210 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)c2nocc2C)C1 1046552494 FVGSCARCIUFGBY-UHFFFAOYSA-N 309.322 -0.511 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2coc(COC)n2)C1 1047581890 RUARYSADBMJGFE-STQMWFEESA-N 307.350 -0.039 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)C2CCN(C(C)=O)CC2)C1 1047620610 DQZPAVICASTMNP-GJZGRUSLSA-N 307.394 -0.618 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cn[nH]c2)C1 1048350845 VSFYRBIPYXOBAP-RYUDHWBXSA-N 308.338 -0.744 30 20 DBED C#CCO[C@H](C)C(=O)N(C)[C@H]1CN(C(=O)C(F)F)C[C@@H]1O 1048852666 RGNDTGMFHKBWMP-UTLUCORTSA-N 304.293 -0.680 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)Cc2ccnn2C)C[C@@H]1O 1049395276 RVXRZEJFSZJSQU-DRZSPHRISA-N 319.365 -0.848 30 20 DBED N#CCN1CCC2(CC1)CN(C(=O)Cn1ccc(O)nc1=O)C2 1050583883 SRBPMSYZGAGYIL-UHFFFAOYSA-N 317.349 -0.603 30 20 DBED C#CCCN1CCOC[C@H]1CNC(=O)c1cc(=O)n(C)cn1 1050964548 HCQOINGGKHFAED-GFCCVEGCSA-N 304.350 -0.766 30 20 DBED N#CCN1CCOC[C@H]1CNC(=O)c1ccc2oc(O)nc2n1 1051207690 UUGKOSVPBTWHJI-SECBINFHSA-N 317.305 -0.117 30 20 DBED CN1CCOC[C@@H]1C(=O)N1CC[C@H](N2CCN(CC#N)CC2)C1 1052017429 ISOZNXSCBDPRBN-LSDHHAIUSA-N 321.425 -0.941 30 20 DBED C#CCCN1CCC[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)CC1 1052905314 JFCVNHFRZIIISV-CQSZACIVSA-N 319.409 -0.116 30 20 DBED N#CCN1CC2(CC[C@H](CNC(=O)c3cc[n+]([O-])cc3)O2)C1 1053569125 TTYSINKZAKQZAR-CYBMUJFWSA-N 302.334 -0.193 30 20 DBED C=CCN1CC2(C[C@H](NC(=O)Cn3nc(C)n(C)c3=O)CO2)C1 1053996667 OXZPEXHDWPEXAI-LBPRGKRZSA-N 321.381 -0.964 30 20 DBED CC(=O)N1CC(C(=O)N2CCN(c3ccc(C#N)nn3)CC2)C1 1055783445 SFXCTANJZOEPLO-UHFFFAOYSA-N 314.349 -0.525 30 20 DBED Cn1c(C(=O)N2CCN(c3cncc(C#N)n3)CC2)cnc1O 1055974060 UDCMYKMEXRNRRJ-UHFFFAOYSA-N 313.321 -0.250 30 20 DBED NC(=O)NCC(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)C#CC1CC1 1056389369 KOSLJKOJDNTBCB-QWHCGFSZSA-N 318.377 -0.340 30 20 DBED CNC(=O)NCC(=O)N1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)C#N 1056540379 JMPVLPGUFKTRTJ-IJLUTSLNSA-N 321.381 -0.333 30 20 DBED Cc1ccc(C#N)c(N[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)C2)n1 1056764214 MBZGUYYIQDQVCH-NEPJUHHUSA-N 314.349 -0.044 30 20 DBED CN(c1cnc(C#N)cn1)[C@@H]1CCN(C(=O)[C@H]2COCCO2)C1 1056869831 RYKIDSZBORWRNQ-CHWSQXEVSA-N 317.349 -0.199 30 20 DBED C=C[C@](C)(O)CC(=O)NCCN(CCO)C(=O)[C@H](C)OC 1057112389 JYOVGQODBVESFW-FZMZJTMJSA-N 302.371 -0.715 30 20 DBED C=CCCCC(=O)NCCN(CCO)C(=O)[C@H]1COC(=O)N1 1057478720 QXKBFKOAKXKBNH-LLVKDONJSA-N 313.354 -0.612 30 20 DBED C=CCCOCC(=O)NCCN(CCO)C(=O)c1ncc[nH]1 1057522299 ZQPVALUWYJIGQI-UHFFFAOYSA-N 310.354 -0.447 30 20 DBED CN1C[C@H](C(=O)N[C@H]2CCN(c3cncc(C#N)n3)C2)NC1=O 1058504024 DHSOYWFQMALYBH-GXSJLCMTSA-N 315.337 -0.933 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)CCCn1ccnn1 1058656596 GZNNEHYSYVXMGV-GFCCVEGCSA-N 322.369 -0.845 30 20 DBED CNC(=O)NCC(=O)N1CC[C@H](CCNC(=O)[C@H](C)C#N)C1 1059783827 XJSUMKANZFVDLC-MNOVXSKESA-N 309.370 -0.570 30 20 DBED Cn1cnc(C(=O)N2CC[C@H](CN=c3cc[nH]c(C#N)n3)C2)n1 1060867616 ZNLQQBZIWOEHTA-SNVBAGLBSA-N 312.337 -0.527 30 20 DBED N#Cc1nccnc1NC[C@@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 1060955496 SXPDTLJGLPGRRM-WDEREUQCSA-N 314.349 -0.255 30 20 DBED C=CCCC(=O)NC[C@@H]1COCCN1C(=O)C[C@@H]1CCNC1=O 1061411314 ZJLFJESLFMZOMP-QWHCGFSZSA-N 323.393 -0.178 30 20 DBED N#Cc1cncc(N2CCC[C@H]2CNC(=O)[C@@H]2CCNC2=O)n1 1061423839 VZNMYZCMNYNFEG-NWDGAFQWSA-N 314.349 -0.431 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CN(C(=O)Cn2cccn2)CCO1 1064855317 QNJFCWZSIJHXNK-RYUDHWBXSA-N 305.338 -0.614 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H]1CN(C(=O)c2cn[nH]c2)CCO1 1064902889 VTFOKZCZWACTEK-YPMHNXCESA-N 320.349 -0.595 30 20 DBED C=CCOCC(=O)N1CCO[C@H](CNC(=O)c2nc(C)c[nH]2)C1 1064974188 NJUXZMHLQFHSKU-GFCCVEGCSA-N 322.365 -0.122 30 20 DBED C#CCOCCC(=O)N1CCO[C@H](CNC(=O)c2ncc[nH]2)C1 1065149465 BSLULAOCKZIVQH-GFCCVEGCSA-N 320.349 -0.593 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)c2cnn(C)n2)CCO1 1065346827 DQXZIBMZAWLOEF-LBPRGKRZSA-N 319.365 -0.424 30 20 DBED C=CCOCC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CCC(=O)N2)CC1 1065985491 QUBZEUCRHXMDGZ-OLZOCXBDSA-N 323.393 -0.035 30 20 DBED CC(C)C#CC(=O)N(C)CCCN(C)C(=O)[C@@H]1CN(C)C(=O)N1 1067362863 BXWHMPKTOURWRO-ZDUSSCGKSA-N 322.409 -0.024 30 20 DBED C#CCO[C@H](C)C(=O)N(C)CCCN(C)C(=O)[C@@H]1CNC(=O)N1 1067431492 RFKMXHWDPRLQEJ-NEPJUHHUSA-N 324.381 -0.987 30 20 DBED N#Cc1cnc(N2C[C@H](CNC(=O)c3ccc[nH]3)[C@@H](O)C2)cn1 1067657229 YRJAETGJMOEECD-GWCFXTLKSA-N 312.333 -0.097 30 20 DBED C=CCCC(=O)N1CCOC2(C1)CN(C(=O)c1cnnn1C)C2 1068346206 KQSOZDKHHRFEHN-UHFFFAOYSA-N 319.365 -0.165 30 20 DBED C=C[C@@H](C)[C@H](C)C(=O)N1CCOC2(CN(C(=O)CC(N)=O)C2)C1 1068436218 FWYIEYXSNUJLNM-NEPJUHHUSA-N 323.393 -0.240 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H]1CCC2(CN(C(=O)COC)C2)O1 1068574196 ZJZLZSFMLZUVPW-OLZOCXBDSA-N 324.377 -0.453 30 20 DBED C#CCC1(C(=O)N[C@H]2COC3(C2)CN(C(=O)C(N)=O)C3)CCC1 1068895534 MVYNZZKOQVPYKR-LLVKDONJSA-N 319.361 -0.849 30 20 DBED C=CCO[C@H](C)C(=O)N1CCC[C@]2(CCN(C(=O)C(N)=O)C2)C1 1069759981 LHXMJJXPOBDBOM-WBMJQRKESA-N 323.393 -0.096 30 20 DBED CCn1nncc1C(=O)NCc1cnn2c1CN(CC#N)CC2 1069860006 ZDCKAECMSWVXBF-UHFFFAOYSA-N 314.353 -0.236 30 20 DBED Cc1nonc1C(=O)NC1(CNC(=O)[C@H](C)C#N)CCOCC1 1070159314 YAKGRMAEFIUXFW-SECBINFHSA-N 321.337 -0.067 30 20 DBED N#CCN1C[C@H]2C[C@H]3CN(C(=O)CO[C@@H]4CCOC4)C[C@@]3(C1)O2 1070799830 LMAKYJGBNQZCJN-DSJMHWKBSA-N 321.377 -0.383 30 20 DBED C=C(C)CN1C[C@H]2C[C@H]3CN(C(=O)[C@H]4CNC(=O)N4)C[C@@]3(C1)O2 1070844559 GSFGECMHBWWCFL-VPWBDBDCSA-N 320.393 -0.454 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)c2cn(CC)nn2)CC1 1071011623 MUCSZXSYWOZUFF-UHFFFAOYSA-N 320.397 -0.252 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)Cn2ccnc2)CC1 1071024297 NHWUMYJETVKSAG-UHFFFAOYSA-N 303.366 -0.833 30 20 DBED CC#CCN1C[C@H](NC(=O)CN2CCNC(=O)C2)CC[C@@H]1C 1071739801 YLSJRHZEHROBEP-UONOGXRCSA-N 306.410 -0.589 30 20 DBED C=CCOCC(=O)N1C[C@@H](NC(=O)c2cn(C)nn2)[C@H](C)C1 1071808603 JJMDQEUNHBHAIV-GHMZBOCLSA-N 307.354 -0.406 30 20 DBED C[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1NC(=O)C#CC1CC1 1072013549 FWOVZPFKQLGHEL-ZYHUDNBSSA-N 301.350 -0.195 30 20 DBED C[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1NC(=O)COCCN(C)C 1072050197 ZFRGOXPQDSJRTO-ZFWWWQNUSA-N 321.421 -0.059 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(C(=O)c2nc[nH]n2)C[C@@H]1C 1073819862 KRDGKWJPUHNELA-WDEREUQCSA-N 307.354 -0.026 30 20 DBED CNC(=O)CC(=O)N1C[C@H]2CCN(C(=O)[C@H](C)C#N)CC[C@H]2C1 1074362052 VPNSTUHXXQVWGY-UPJWGTAASA-N 320.393 -0.021 30 20 DBED Cn1cc(C(=O)N2CC[C@@H]3OCCN(CC#N)[C@H]3C2)n(C)c1=O 1074415276 NXXTXZKAWJXFIF-AAEUAGOBSA-N 319.365 -0.837 30 20 DBED C=CCOCC(=O)NCC[C@H](C)NC(=O)CCn1ccnn1 1075917748 HNDUSCDGWLQJDF-LBPRGKRZSA-N 309.370 -0.118 30 20 DBED C=CCOCC(=O)NCC[C@H](C)NC(=O)C1(C(=O)NC)CC1 1075917987 RFEJBDSTWLLUOD-NSHDSACASA-N 311.382 -0.274 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)C[C@@H]1CCOC1 1076003325 DOACMSKVUXASEZ-STQMWFEESA-N 323.393 -0.437 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H](C)CCNC(=O)c1nnn(C)c1C 1076021046 JPVNHRRSWUIFRK-CMPLNLGQSA-N 321.381 -0.214 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC[C@H](C)NC(=O)c1cnn(C)c1N 1076300602 OLPJQVAXSIRQGI-ZUZCIYMTSA-N 323.397 -0.046 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)Cc2cc(=O)n(CC(C)C)[nH]2)C1 1077320384 ABVCVJCIULUWCV-ZIAGYGMSSA-N 320.393 -0.831 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)c2cnc(O)n(C)c2=O)C1 1077498545 JPKUJTBSCQHHTB-VXGBXAGGSA-N 322.365 -0.773 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)C2CCN(CC(F)F)CC2)C1 1077575365 SOYXKJWZNLRDGX-CHWSQXEVSA-N 315.364 -0.242 30 20 DBED Cc1cccc2c1O[C@@H](C(=O)N[C@@H]1CN(CC#N)C[C@H]1O)C2 1078302571 MMTWPWUDQQQTKI-MGPQQGTHSA-N 301.346 -0.017 30 20 DBED CNC(=O)NCC(=O)N(C)[C@H]1CCCN(C(=O)[C@H](C)C#N)CC1 1078982400 SBUBVPXSAXAASL-NEPJUHHUSA-N 323.397 -0.085 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)c2cnnn2C)C1 1079701696 LVUZOQWXVNYHAD-NSHDSACASA-N 319.365 -0.474 30 20 DBED CCN(C(=O)C#CC(C)C)C1CN(C(=O)Cn2ncnn2)C1 1079730293 RSMITRKWTIXZPC-UHFFFAOYSA-N 304.354 -0.608 30 20 DBED CCN(C(=O)[C@@H](C)NC(=O)COC)C1CN(C(=O)[C@@H](C)C#N)C1 1079914076 WNRSAHSPVUGCFQ-WDEREUQCSA-N 324.381 -0.644 30 20 DBED CCN(C(=O)[C@H]1CN(C)C(=O)N1)C1CN(C(=O)C#CC(C)C)C1 1080215788 CNNBRIGQFJDZEO-CYBMUJFWSA-N 320.393 -0.271 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)C2=CCOCC2)C[C@@H]1O 1081346527 JFOCHBRVSFVQDR-KGLIPLIRSA-N 324.377 -0.529 30 20 DBED Cc1cc(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C#CC3CC3)C2)no1 1081468817 OTTSROZLQRMNHI-GXTWGEPZSA-N 317.345 -0.054 30 20 DBED C#CCN1C[C@@H](NC(=O)Cn2c(C)cc(C)nc2=O)[C@H](OC)C1 1082277825 IUWYJXHUADFCCK-ZIAGYGMSSA-N 318.377 -0.691 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@@H](C)N2CCCCC2=O)[C@H](OC)C1 1082383001 DQGZKWHTAXAROU-MGPQQGTHSA-N 307.394 -0.164 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cc(OCC)n[nH]1 1083116654 BRBBLXDZPZMFLI-QWHCGFSZSA-N 304.350 -0.033 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CCc2nn[nH]c2C1 1083247453 QUUKPGBJZGBHEV-LEWSCRJBSA-N 316.365 -0.655 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CN(Cc3cnon3)C[C@@H]2O)c1 1083392728 VYOUACBMFGMZEY-NEPJUHHUSA-N 302.294 -0.756 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2ncoc2-c2ccon2)C1 1083959046 CJGXDMSVBHRKHZ-MNOVXSKESA-N 302.290 -0.262 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)C2CCC(NC(C)=O)CC2)C1 1084121584 LRESRYMITDWJMC-FJBKBRRZSA-N 321.421 -0.134 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)c3coc(S(N)(=O)=O)c3)[C@@H]2C1 1084462559 SNFUFXWUYCGZGE-ZYHUDNBSSA-N 323.374 -0.294 30 20 DBED C#CCCN1CC[C@@H]2CN(C(=O)C3CC(=O)NC(=O)C3)[C@@H]2C1 1084719825 OESSPCOPWJVRSR-DGCLKSJQSA-N 303.362 -0.405 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)Cc3c(C)nc(O)nc3O)[C@@H]2C1 1084736758 BDHMTBGLVZTMOG-DGCLKSJQSA-N 316.361 -0.095 30 20 DBED C=CCN1CC[C@@H]2CN(C(=O)CN3CCC(=O)NC3=O)C[C@@H]2C1 1088163378 LZNLSGWKIOGRAJ-OLZOCXBDSA-N 320.393 -0.105 30 20 DBED C=CCN1CC[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)[C@H]1C 1088605015 COQNCIUNRPPSIF-NEPJUHHUSA-N 306.366 -0.688 30 20 DBED C[C@@H]1[C@@H](NC(=O)c2cnn3c(=O)cc[nH]c23)CCN1CC#N 1088905954 YIFKGORRXHINFN-KOLCDFICSA-N 300.322 -0.261 30 20 DBED C[C@H]1CC[C@@H](NC(=O)CNC(N)=O)CN1c1ccc(C#N)nn1 1089110188 OHBYTVFVVGQGST-GXSJLCMTSA-N 317.353 -0.510 30 20 DBED C#CCN1C[C@H](NC(=O)Cn2nccn2)CC2(CCOCC2)C1 1089939245 PAYVTZOYJJOVET-CQSZACIVSA-N 317.393 -0.101 30 20 DBED C=CCN1CC[C@@H](NC(=O)Cn2cc(C3CC3)nn2)[C@H](O)C1 1090319857 SSPIPBMKUAPYOE-TZMCWYRMSA-N 305.382 -0.107 30 20 DBED Cn1cnc2cncc(C(=O)N[C@H]3CCN(CC#N)C[C@@H]3O)c21 1090334174 OVANOUWLXPLDAE-AAEUAGOBSA-N 314.349 -0.343 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2cnc3cccnn23)[C@H](O)C1 1090631615 UXZPCBOPGCTSSJ-TZMCWYRMSA-N 313.361 -0.082 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)c2ccc(C(N)=O)cn2)[C@@H](O)C1 1090845343 YPDMQGYTGQEDTP-OCCSQVGLSA-N 318.377 -0.078 30 20 DBED CNC(=O)CC(=O)NC[C@H]1C[C@@H](Nc2nccnc2C#N)C1 1091339759 BQXXBGFZIMOHQJ-AOOOYVTPSA-N 302.338 -0.209 30 20 DBED Cc1cc(N2C[C@H]3[C@H](NC(=O)CNC(N)=O)[C@H]3C2)c(C#N)cn1 1093210951 RDCIXMXEEBBYHU-YABSGUDNSA-N 314.349 -0.519 30 20 DBED C=CCN1CC(OC2CCN(C(=O)c3nnn(C)n3)CC2)C1 1093561494 RJBGKQFARJYLSB-UHFFFAOYSA-N 306.370 -0.299 30 20 DBED N#Cc1nc(=NCCNC(=O)CCOC2CCOCC2)cc[nH]1 1093855833 JUGPIFNRQJKTRE-UHFFFAOYSA-N 319.365 -0.116 30 20 DBED Cc1nsc(NCCCNC(=O)Cn2ncnn2)c1C#N 1094597953 DEXJYACAGAXISW-UHFFFAOYSA-N 306.355 -0.072 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)c3[nH]cnc3C)CC2=O)C1 1094820283 GULHAPSWNDWOLW-LLVKDONJSA-N 301.350 -0.634 30 20 DBED N#Cc1ccc(NCCCNC(=O)C[C@@H]2NC(=O)NC2=O)cn1 1094868394 LLSOJULYSVRYHH-NSHDSACASA-N 316.321 -0.530 30 20 DBED C[C@@H](CC(N)=O)C(=O)N1CCCN(c2ccc(C#N)nn2)CC1 1095202869 YANMCGWQNJCVPK-NSHDSACASA-N 316.365 -0.102 30 20 DBED CCNC(=O)CC(=O)NC1CCN(c2cnc(C#N)cn2)CC1 1095412461 XBFFEJLNIAWCSL-UHFFFAOYSA-N 316.365 -0.041 30 20 DBED CN(CCCNC(=O)CN1CCCC1=O)c1ccc(C#N)nn1 1095486115 GXSNRZSYQYKNGZ-UHFFFAOYSA-N 316.365 -0.087 30 20 DBED CN(CCCNC(=O)[C@@H]1COCCO1)c1nccnc1C#N 1095490280 VUFPVHSIXCMDQQ-LBPRGKRZSA-N 305.338 -0.294 30 20 DBED CN(CCCNC(=O)[C@H]1CC[C@H]1C(N)=O)c1cnc(C#N)cn1 1095697088 WKIANECSQSAXFM-NEPJUHHUSA-N 316.365 -0.198 30 20 DBED C=C(C)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN1CC(=O)NC1=O 1096188102 XWDSCVPUOVNEOQ-WOPDTQHZSA-N 306.366 -0.164 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CCN(c2cncc(C#N)n2)C1 1096361032 VXLZWYVGQHFKQS-NSHDSACASA-N 312.333 -0.817 30 20 DBED N#Cc1cncc(N2CC[C@H](NC(=O)CO[C@H]3CCOC3)C2)n1 1096439078 CAYGEBSYCZXOII-AAEUAGOBSA-N 317.349 -0.151 30 20 DBED C#CCN(CCO)C1CCN(C(=O)CC(=O)NCC2CC2)CC1 1098529013 UAPRYUSTHQDXRY-UHFFFAOYSA-N 321.421 -0.179 30 20 DBED C=CCNCc1cn([C@@H]2CCN(C(=O)Cn3ncnn3)C2)nn1 1098675819 GNKOSHVAFDUQKH-GFCCVEGCSA-N 317.357 -0.986 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(Cc2cc(C)n(C)n2)C[C@H]1O 1099741181 OZJKAZLRNBFBPY-LSDHHAIUSA-N 322.409 -0.017 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)C(F)=C(C)C)[C@@H](O)C1 1099780700 LNBKTUAOPNRNJE-RYUDHWBXSA-N 311.357 -0.449 30 20 DBED C#CCOCCC(=O)N[C@H]1CCN(Cc2cnon2)C[C@@H]1O 1099836405 ZHIUFYHWQKLOHM-STQMWFEESA-N 308.338 -0.839 30 20 DBED C#CCN1CC[C@H](NC(=O)C(=O)Nc2ccccc2)[C@H](O)C1 1099904135 QWTAFVRISKKOGO-UONOGXRCSA-N 301.346 -0.190 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)Cc2cnoc2)[C@@H](O)C1 1099962098 JCWXSNNTSUPSIA-KBPBESRZSA-N 309.366 -0.029 30 20 DBED Cc1cc(C#N)nc(N(C)CCNC(=O)[C@@H]2CCCNC2=O)n1 1100185383 XNTKNHGLSGHEPR-GFCCVEGCSA-N 316.365 -0.265 30 20 DBED CCCNC(=O)NC(=O)CNC1CC(CNC(=O)[C@H](C)C#N)C1 1100191399 JIUSLJFYQIZXAP-VOMCLLRMSA-N 323.397 -0.134 30 20 DBED COCC#CCNC1CC(CNC(=O)[C@@H]2CCCNC2=O)C1 1100423502 LGIQBHRVTILXJX-JXQTWKCFSA-N 307.394 -0.353 30 20 DBED CCN(CCNC(=O)COCCN(C)C)c1cnc(C#N)cn1 1100569438 BYNFCXHAOCNLAY-UHFFFAOYSA-N 320.397 -0.131 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CC(CNC(=O)CCN(C)C)C1 1100638492 NMIGPOZDNZCJNG-IYXRBSQSSA-N 308.426 -0.440 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CCN(c2nccn3nnnc23)C1 1100949390 AOXYUGMZMPWKOD-NXEZZACHSA-N 300.326 -0.379 30 20 DBED COCCOCC(=O)NC[C@H]1CCN(c2cnc(C#N)cn2)C1 1100950668 XNODFRCQIYKCNA-GFCCVEGCSA-N 319.365 -0.046 30 20 DBED CCCN(CCNC(=O)Cn1cnnn1)c1ccnc(C#N)n1 1101083550 IRQOVRMCTGSMPL-UHFFFAOYSA-N 315.341 -0.632 30 20 DBED Cc1c[nH]nc1C(=O)NC[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1101943475 VXNXLULSEWNVPG-VXGBXAGGSA-N 318.381 -0.344 30 20 DBED CN(CCNc1nccnc1C#N)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 1101959003 AISPBTZQCGUHGN-WDEREUQCSA-N 318.337 -0.749 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)[C@]2(C)CCOC2)C1 1102481903 YVMXAMYRCPABSI-CKEIUWERSA-N 321.421 -0.154 30 20 DBED C#CCN1C[C@@H](C)[C@H](CCNC(=O)CCn2ncn(C)c2=O)C1 1103267808 GXDHSQYQMDQFLB-ZIAGYGMSSA-N 319.409 -0.321 30 20 DBED CC(C)[C@@H](O)C(=O)NC[C@H]1CN(c2cncc(C#N)n2)CCO1 1104305705 VVRMFHTTZCOGHN-GXTWGEPZSA-N 319.365 -0.313 30 20 DBED CC(=O)NCC(=O)N1CC[C@@H](N=c2cc[nH]c(C#N)n2)[C@@H](C)C1 1105026826 XAPQENSDJDWSND-CMPLNLGQSA-N 316.365 -0.445 30 20 DBED CC(C)[C@@H](CNC(=O)c1nnn(C)n1)Nc1cncc(C#N)n1 1105266639 PYPGERCHTKCZMJ-SNVBAGLBSA-N 315.341 -0.262 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H](O)CNC(=O)C1CCOCC1 1105700385 FHPYGTQVSJOIDI-CYBMUJFWSA-N 304.350 -0.309 30 20 DBED Cc1ccn(C)c1C(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1 1105812401 BTYXAAXDQLEDFL-NSHDSACASA-N 314.349 -0.380 30 20 DBED CCn1nncc1C(=O)NC[C@H](O)CNc1ccc(C#N)cn1 1105822456 QGFJDKHCXCCLIP-LLVKDONJSA-N 315.337 -0.233 30 20 DBED CN1CC[C@H](C(=O)NC[C@H](O)CNc2cnc(C#N)cn2)C1 1105853754 QSCPRWUGJRRFAZ-CMPLNLGQSA-N 304.354 -0.811 30 20 DBED CCC[C@@H](OC)C(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1 1106040614 ZPDUPKZRSHFSMQ-GHMZBOCLSA-N 307.354 -0.526 30 20 DBED CNC(=O)NCC(=O)N[C@H](C)CCN=c1cc(C)[nH]cc1C#N 1106616333 WNQQWNUOFOWTSN-SNVBAGLBSA-N 318.381 -0.081 30 20 DBED CCN(CCN=c1cc[nH]cc1C#N)C(=O)[C@H]1C[C@H]1C(N)=O 1106951935 KFUAZBYWOMJCOV-NEPJUHHUSA-N 301.350 -0.243 30 20 DBED C[C@@H](C#N)C(=O)NC[C@]1(C)CN(Cc2nncn2C)CCO1 1107819481 PYEUSMONCUYHAL-SMDDNHRTSA-N 306.370 -0.318 30 20 DBED C#CCCN1CCO[C@@](C)(CNC(=O)CCNC(=O)NC)C1 1107920414 SMHIIDQPQNLJFN-HNNXBMFYSA-N 310.398 -0.464 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1nnn(C)n1 1109609587 DFYPAQSGVSWRHN-WOPDTQHZSA-N 304.354 -0.805 30 20 DBED CN(C)CCC(=O)N[C@H]1[C@H]2C[C@H]1N(c1cncc(C#N)n1)C2 1109740096 KZJPMIWBQBWUIR-NVBFEUDRSA-N 300.366 -0.007 30 20 DBED N#Cc1cncc(NC[C@H](NC(=O)[C@@H]2CNC(=O)N2)C2CC2)n1 1109960516 QZPPIJZRXSPNIS-QWRGUYRKSA-N 315.337 -0.664 30 20 DBED CC(=O)N[C@@H](C)C(=O)NCC1(N=c2cc[nH]cc2C#N)CC1 1110056236 MLXIQEJTZFDTPO-JTQLQIEISA-N 301.350 -0.040 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCN1CCNC1=O 1110401415 CDQPLENBBPGQAC-LPWJVIDDSA-N 305.382 -0.107 30 20 DBED C=CCOCC(=O)N[C@]12CCC[C@H]1CN(Cc1nnnn1C)C2 1111658939 VRIQNBIECPZEFP-WFASDCNBSA-N 320.397 -0.117 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)CCc2nc[nH]n2)CC1 1112757207 IXJUAJJJKDTLPA-GFCCVEGCSA-N 318.381 -0.981 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](C)N(C)c1ncnc2c1nnn2C 1113537324 LPZKWOFFVLBUMX-IUCAKERBSA-N 302.342 -0.141 30 20 DBED Cc1cc(N(C)[C@H](C)CNC(=O)Cn2ncnn2)c(C#N)cn1 1113723153 JVKPMDVRLHFUAW-LLVKDONJSA-N 314.353 -0.111 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)COC3CCCC3)[C@H]2C1 1113937430 FTRDNTKVQYGESK-KBPBESRZSA-N 319.405 -0.259 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)c3cocn3)[C@H]2C1 1114028632 SFBISBKGJLGEOY-DCQANWLSSA-N 302.334 -0.528 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)[C@H](C)n3cncn3)[C@@H]2C1 1114147356 WSJWMHIXJGTKRP-QJPTWQEYSA-N 318.381 -0.812 30 20 DBED CC(C)NC(=O)CN(C)CC(=O)NC1[C@@H]2CN(CC#N)C[C@@H]12 1114521004 GGIUVXARGPLYBS-VXGBXAGGSA-N 307.398 -0.987 30 20 DBED N#Cc1cnc(N2C[C@@H]3C(CNC(=O)C(N)=O)[C@H]3C2)c(F)c1 1114619860 FMTGWDHUEKQJMX-NXEZZACHSA-N 303.297 -0.624 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)[C@@H](OC)C3CCC3)[C@@H]2C1 1114639041 PLKZHZFQKYPRBH-IOASZLSFSA-N 319.405 -0.403 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)CCn3ccnc3)[C@@H]2C1 1114652383 LYUORPUUNOREDU-ZIAGYGMSSA-N 302.378 -0.031 30 20 DBED C[C@H](CCCN=c1cc[nH]c(C#N)n1)NC(=O)CC(=O)N(C)C 1115091579 ZZGVMABGJGJSGM-LLVKDONJSA-N 318.381 -0.055 30 20 DBED C[C@]1(CC(=O)NC2[C@@H]3CN(CC#N)C[C@@H]23)CCS(=O)(=O)N1 1115175911 FFDWPEIREOQUGN-GIPNMCIBSA-N 312.395 -0.972 30 20 DBED C=C(Cl)CN1C[C@@H]2C(NC(=O)CS(=O)(=O)N(C)C)[C@H]2C1 1115184374 KQHVFYOTNKVZFH-UWVGGRQHSA-N 321.830 -0.323 30 20 DBED N#CCNC(=O)CNC(=O)c1c[nH]c(C(=O)N2CCCC2)c1 1117460396 VFJMZTVIOIABGR-UHFFFAOYSA-N 303.322 -0.380 30 20 DBED CCc1nncn1CCNC(=O)C(=O)N[C@@H]1CC[C@H](C#N)C1 1118175138 TXKYRFJCEAXTEG-WDEREUQCSA-N 304.354 -0.235 30 20 DBED C[C@@H](C#N)CN(C)C(=O)C(=O)N1CCC2(CCNC2=O)CC1 1119025873 NETCPHJBCURAHP-NSHDSACASA-N 306.366 -0.267 30 20 DBED COC(=O)NCC(=O)NC[C@H](CO)Nc1ccc(C#N)c(C)n1 1121113081 MDYBLEWKYCTXOE-LLVKDONJSA-N 321.337 -0.493 30 20 DBED N#Cc1cccnc1N[C@@H](CO)CNC(=O)[C@H]1CCNC(=O)C1 1121310698 LDRWKAJQIKBXDC-CMPLNLGQSA-N 317.349 -0.632 30 20 DBED C=CCOCC(=O)NC[C@@H](CO)Nc1cc(C)nc(CO)n1 1121323458 CMWKLYUOCWBGBC-NSHDSACASA-N 310.354 -0.631 30 20 DBED Cc1cn(C)nc1C(=O)NC[C@@H](CO)N=c1cc[nH]cc1C#N 1121446565 NGNGLMMHGOLDKE-LBPRGKRZSA-N 314.349 -0.380 30 20 DBED N#Cc1nc(=N[C@H](CO)CNC(=O)c2cc(Cl)no2)cc[nH]1 1121481724 RHMXSGPMFWZTKE-ZETCQYMHSA-N 322.712 -0.386 30 20 DBED CN1CCC(C(=O)NC[C@@H](CO)Nc2ccc(C#N)nn2)CC1 1121718962 UOPLWKUQQJEFKB-ZDUSSCGKSA-N 318.381 -0.421 30 20 DBED CCn1cc(C(=O)NC[C@H](CO)Nc2ccc(C#N)cn2)nn1 1121929409 TZPWCGVSLUCSGJ-LLVKDONJSA-N 315.337 -0.233 30 20 DBED Cc1nc(N[C@H](CO)CNC(=O)Cc2nc[nH]n2)ccc1C#N 1121995659 YRNNHSDVOIWCEG-NSHDSACASA-N 315.337 -0.489 30 20 DBED N#Cc1nc(=N[C@@H](CO)CNC(=O)C2(CCF)CC2)cc[nH]1 1122275078 VWNSAUVHVBQVKL-SNVBAGLBSA-N 307.329 -0.201 30 20 DBED CCc1nocc1C(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1 1122494943 WICRUBUEISQBOM-VIFPVBQESA-N 316.321 -0.477 30 20 DBED C[C@@H]1[C@H](NC(=O)CNC(N)=O)CCCN1c1cncc(C#N)n1 1123512889 HNWFGYGFMGILHH-MWLCHTKSSA-N 317.353 -0.510 30 20 DBED C=CCCC(=O)N(C)C[C@H](O)CNc1ncnc2c1nnn2C 1124165194 YRMKNVRJUOQKJY-SNVBAGLBSA-N 319.369 -0.044 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)c2cc(C)nn2C)C1=O 1124257271 LPXKRKTYIUTYNI-LBPRGKRZSA-N 305.382 -0.165 30 20 DBED CN(C[C@@H](O)CNc1cncc(C#N)n1)C(=O)CC1(O)CCC1 1124283777 QASMBBMXJXUYKX-LBPRGKRZSA-N 319.365 -0.115 30 20 DBED C=CCOCC(=O)N(C)C[C@@H](O)CN(C)c1ccc(C#N)nn1 1124989333 UGCFTUVUGPNYEX-ZDUSSCGKSA-N 319.365 -0.194 30 20 DBED CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)c1c[nH]c(C#N)c1 1125981971 NOYWYGUKFDNKQZ-SECBINFHSA-N 320.353 -0.560 30 20 DBED C#CCCCC(=O)NCc1cnn2c1CN([C@H](C)C(N)=O)CC2 1128327784 ULGGRJUZIJZGEX-GFCCVEGCSA-N 317.393 -0.008 30 20 DBED COCCO[C@@H](C)C(=O)NCc1cnn2c1CN(CC#N)CC2 1128517454 KRFHFBSSHQTSBC-LBPRGKRZSA-N 321.381 -0.110 30 20 DBED C#CCCN1CCNC(=O)CCN(C(=O)C[C@@](C)(O)C=C)CC1 1131357359 RMLLBZNGAJUYDE-KRWDZBQOSA-N 321.421 -0.013 30 20 DBED C=CC(C)(C)C(=O)NCCNCC(=O)N[C@H](C)C(=O)N(C)C 1132398944 VNNMJWTYHXVJSW-LLVKDONJSA-N 312.414 -0.503 30 20 DBED CC#CCNC[C@H]1CN(C(=O)CN2CCOCC2=O)CC[C@H]1C 1132900791 HMCKYSMFHUVYKJ-CABCVRRESA-N 321.421 -0.057 30 20 DBED C#Cc1cncc(C(=O)NCCNCC(=O)NCC2CC2)c1 1133593195 SLDPTHRGQKLSEA-UHFFFAOYSA-N 300.362 -0.092 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H](C)Oc1cccnc1 1133625140 AEFJQDRTEQMPSV-CHWSQXEVSA-N 318.377 -0.307 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)Cn1ccnc1C 1146333314 NRGGEMPHTWPNIH-STQMWFEESA-N 319.409 -0.186 30 20 DBED C=CCCN[C@H](C)C[C@H](C)NC(=O)CNC(=O)Cn1cncn1 1146563627 XKDUXOBLRUSVEH-OLZOCXBDSA-N 322.413 -0.157 30 20 DBED CNC(=O)[C@H](C)N1CCCO[C@@H](CNC(=O)C#CC2CC2)C1 1149694021 GQTIKEYODUQBMC-JSGCOSHPSA-N 307.394 -0.259 30 20 DBED CC(C)(C)C(=O)NCC(=O)NC[C@H]1CN(CC#N)CCCO1 1150700094 RITBVRCANBZXER-LBPRGKRZSA-N 310.398 -0.121 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H](C)N(CC)C[C@H](O)COC 1153306634 NIVHIDOTAYPPIQ-RDBSUJKOSA-N 300.399 -0.141 30 20 DBED CS(=O)(=O)NCCNCCCNC(=O)c1c[nH]c(C#N)c1 1156847669 DWHIMWAGMKFYPV-UHFFFAOYSA-N 313.383 -0.855 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)c1cc(=O)n(C)o1 1157134635 OBMCMERKDPPECT-JTQLQIEISA-N 310.354 -0.622 30 20 DBED C[C@@H](NCCCNC(=O)C#CC1CC1)C(=O)NC(=O)NC1CC1 1157710522 CWYWJLOJFMCUHX-LLVKDONJSA-N 320.393 -0.128 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)[C@H]1CC(=O)N(CC)C1 1159276112 JOQHICKTPFMYST-OLZOCXBDSA-N 324.425 -0.359 30 20 DBED C#CCN1CC=C(CCNC(=O)Cn2ncn(C)c2=O)CC1 1160550811 DOUCKLDHYXMQIC-UHFFFAOYSA-N 303.366 -0.647 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1ncc2ccccn12 1162491943 TYXNQQADQRHOKX-UHFFFAOYSA-N 313.361 -0.207 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@@]1(C)CCC(=O)NC1 1164436649 MTKUQVIATWXXBS-HNNXBMFYSA-N 310.398 -0.699 30 20 DBED N#CCNC(=O)CNCCCNC(=O)CC[C@@H]1CCCOC1 1169613089 WQECUKVCJPDSOX-ZDUSSCGKSA-N 310.398 -0.071 30 20 DBED C[C@H](CCCCNCC(=O)NCC#N)NC(=O)c1ncc[nH]1 1170637248 CWXOOMBKJNBGQI-LLVKDONJSA-N 306.370 -0.072 30 20 DBED COCC#CCNCCCC[C@@H](C)NC(=O)[C@@H]1CNC(=O)N1 1174972905 XQXLCHMNMKAQAC-OLZOCXBDSA-N 310.398 -0.418 30 20 DBED CC#CCNCCCC[C@H](C)NC(=O)CS(=O)(=O)NC 1176638914 JXGJJIGLQPATGG-LBPRGKRZSA-N 303.428 -0.177 30 20 DBED COCC#CCN1CCO[C@H]2CCN(C(=O)c3cn[nH]c3)C[C@H]21 1176924249 MTGOBYUQMTYJBG-CABCVRRESA-N 318.377 -0.025 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)CCNC(=O)NC)C[C@@H]21 1176999586 GUWLMFGINRNVPT-QWHCGFSZSA-N 308.382 -0.760 30 20 DBED CN(CC(=O)N1CC[C@@H]2OCCN(CC#N)[C@@H]2C1)C(=O)C1CC1 1177029825 JPSQQVBSBYRGEK-KGLIPLIRSA-N 320.393 -0.320 30 20 DBED COCCC(=O)N1CC[C@H](CNCC(=O)NCC#N)[C@@H](C)C1 1183678210 LZUIHSJSRSGTMA-QWHCGFSZSA-N 310.398 -0.263 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)C[C@H]2CCC(=O)N2C)C1 1184792875 XEKSXCHVDNSYNW-ZIAGYGMSSA-N 307.394 -0.162 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3ccn(C)c3)[C@@H]2C1 1187517975 MNUGBYMAZFDCST-DZGCQCFKSA-N 314.389 -0.079 30 20 DBED CCn1cccc1C(=O)N1CC[C@@H](NCC(=O)NCC#N)C1 1187879313 ALOSRWBBAYXYNQ-GFCCVEGCSA-N 303.366 -0.048 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)Cc2ccc[nH]2)C1 1187993654 FHUCVEJVNXCTIO-GXTWGEPZSA-N 302.378 -0.114 30 20 DBED C=CCNC(=O)NC(=O)CN(C)[C@@H]1CCN(C(=O)[C@@H](C)C#N)C1 1189390688 TTYXUOJBERNVOI-NWDGAFQWSA-N 321.381 -0.309 30 20 DBED COCC#CCN(C)[C@H]1CCN(C(=O)[C@@H]2COCCN2C)C1 1189704719 DQUFEQDZSKYNFI-GJZGRUSLSA-N 309.410 -0.501 30 20 DBED COCC1(CC(=O)N2CC[C@H](N(C)CC(=O)NCC#N)C2)CC1 1190067942 VXFMSTSABFGAOI-ZDUSSCGKSA-N 322.409 -0.024 30 20 DBED C=CCNC(=O)NC(=O)CN1C[C@@H](O)[C@H](NC(=O)/C(C)=C\C)C1 1192119964 RUKCNPXWHJMLME-XRHVUQDBSA-N 324.381 -0.874 30 20 DBED C=CCN1CC[C@@H](N2C[C@@H](O)[C@H](NC(=O)/C(C)=C\C)C2)C1=O 1192127779 OIKBVJDSRADPNC-PUHLDHRLSA-N 307.394 -0.099 30 20 DBED C[C@H]1CCCN1CC(=O)N1CC[C@@H](N(C)CC(=O)NCC#N)C1 1192342572 HAQJSNBXQVIEKR-UONOGXRCSA-N 321.425 -0.357 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)Cc2ccnn2C)C1 1192483978 IANLUPMXOMZGFC-ZIAGYGMSSA-N 308.382 -0.674 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(CCc2ccnn2C)C[C@H]1O 1192531538 XKUZUNISPWMXIZ-FMKPAKJESA-N 322.409 -0.549 30 20 DBED CC#CCN(C)[C@@H]1CCN(C(=O)COCc2nncn2C)C1 1193205308 RDEYFBYAVCBYGW-CYBMUJFWSA-N 305.382 -0.112 30 20 DBED C=CCCCN1C[C@@H](O)[C@H](NC(=O)c2cccn3nnnc23)C1 1193258555 KVYTXDSVRXVKOA-CHWSQXEVSA-N 316.365 -0.135 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)c2cnc(O)cc2C)C1 1196082918 JEVUJORVYLYYJY-ZIAGYGMSSA-N 319.361 -0.480 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CN(C)C[C@H]2C)CC1 1197158676 UBRLEEJHLYHKTA-HUUCEWRRSA-N 320.437 -0.532 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)c2nccnc2N)CCCO1 1200145556 UOCKBPMQSDVJLV-GFCCVEGCSA-N 303.366 -0.097 30 20 DBED C=CCNC[C@@H]1CN(C(=O)C(=O)NCC(F)F)CCCO1 1200874581 UGQINKVZLWJKLS-SNVBAGLBSA-N 305.325 -0.239 30 20 DBED CN(C)c1ccc(C(=O)N2CCCO[C@H](CNCC#N)C2)nn1 1201878989 AZZLFXJYLIUPKB-GFCCVEGCSA-N 318.381 -0.113 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)C[C@@](C)(O)C=C)CC1 1205119632 XMUYIQCODBWLFI-KRWDZBQOSA-N 321.421 -0.109 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@@H](NCc2cncn2C)C1 1207869618 IOBGRXTYJOLJRK-CYBMUJFWSA-N 317.393 -0.360 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC[C@@H](NCc2cn(C)nn2)C1 1208025586 PFRONQOFMWMGFN-CHWSQXEVSA-N 305.382 -0.066 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC[C@H](NCc2cn(C)nn2)C1 1208025589 PFRONQOFMWMGFN-STQMWFEESA-N 305.382 -0.066 30 20 DBED C=CCNC(=O)[C@H](C)N[C@H]1CCCN(C(=O)Cn2nccn2)C1 1208231200 UHCWRWGJGXEHEV-STQMWFEESA-N 320.397 -0.451 30 20 DBED C=C(C)CN[C@H]1CCCN(C(=O)C[C@H](NC(C)=O)C(N)=O)C1 1209962512 BGKNHUXIGOTXSW-STQMWFEESA-N 310.398 -0.477 30 20 DBED CCCn1nnnc1CN1C[C@@H](NC(=O)[C@H](C)C#N)[C@H](OC)C1 1212045480 OWHFBWWPRRESRA-IJLUTSLNSA-N 321.385 -0.442 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2cc(F)c[nH]2)[C@H](OC)C1 1213179949 NNQLXJSMMQANEJ-CHWSQXEVSA-N 322.340 -0.668 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2cn[nH]c2)C[C@H]1C 1214198427 AZTCNHDIFZFVOU-NTZNESFSSA-N 303.366 -0.402 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)COCCC)C[C@H]1C 1214280425 SXTCHNHDHGTVRU-HZSPNIEDSA-N 309.410 -0.013 30 20 DBED C#CCCCCC(=O)N[C@@H]1CN([C@H]2CCN(C)C2=O)C[C@@H]1O 1219490323 CPWAPCHMLYNCSN-RDBSUJKOSA-N 307.394 -0.428 30 20 DBED C#CCCCC(=O)N[C@@H]1CN([C@H](CCCC)C(N)=O)C[C@@H]1O 1219542054 XENYFCDYINKENM-MCIONIFRSA-N 309.410 -0.005 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)c2cc(OCC)n[nH]2)C1 1219858034 FGEGFKYLPPYDTL-OLZOCXBDSA-N 324.381 -0.214 30 20 DBED CCN(CCC#N)C(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2C)C1 1220138118 PXVSVDKXDNRZAR-SYQHCUMBSA-N 322.409 -0.434 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2C2CC2)C1 1220514792 FLZXMYXMEPAHND-DGAVXFQQSA-N 307.394 -0.504 30 20 DBED C=CCNC(=O)CN1CCC(CNC(=O)Cn2nccn2)CC1 1223320158 HSQJCWYKTKZWLB-UHFFFAOYSA-N 320.397 -0.592 30 20 DBED C#CCOCCC(=O)NC1CCN(CC(=O)NC2CC2)CC1 1227332522 RVDAVSHECUUQLZ-UHFFFAOYSA-N 307.394 -0.115 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)c2cnc(O)n2C)CC1 1228589708 XZDJBKHGHLTTCH-UHFFFAOYSA-N 319.365 -0.931 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)C[C@@H]2CCN(C)C2)CC1 1230034658 LCYTYGAKAOSTFJ-AWEZNQCLSA-N 320.437 -0.342 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)COCCC=C)CC1 1230411518 KZVIKOPBEFCSHK-UHFFFAOYSA-N 307.394 -0.091 30 20 DBED C=CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)[C@H]1CC(=O)N(C)C1 1234634869 RSBLYJREXOZOPA-QWHCGFSZSA-N 322.409 -0.700 30 20 DBED C=CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)C[C@H]1CCNC1=O 1235283249 WPPVWYGAZHMMRL-CHWSQXEVSA-N 322.409 -0.653 30 20 DBED C=CCn1cc(CNC(=O)C(=O)NC[C@H](C)CCOC)nn1 1261448584 ZHGJFCUWZAPWGZ-LLVKDONJSA-N 309.370 -0.131 30 20 DBED C[C@H]1CCCN(CCNC(=O)C(=O)N2CC[C@](O)(CC#N)C2)C1 1261463767 AUPVFYWLMAOEDU-XJKSGUPXSA-N 322.409 -0.288 30 20 DBED N#C[C@]1(F)CCN(C(=O)C(=O)NCCCN2CCOCC2)C1 1321528548 IHGRLLBLSYDUAJ-CQSZACIVSA-N 312.345 -0.711 30 20 DBED CNC(=O)[C@@H]1CCC[C@H]1NC(=O)C(=O)NCC1(CC#N)CC1 1324829534 KARFEMMQOURECX-GHMZBOCLSA-N 306.366 -0.173 30 20 DBED O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@H](C(=O)O)C1CC1 1329962701 IOOCGTLLXDQUHW-QGDAWOFLSA-N 307.306 -0.260 30 20 DBED C=CCN(C(=O)C(=O)N(C)C[C@@H]1COCCO1)[C@H](C)COC 1330464372 YYCMKNIGFWDGBP-CHWSQXEVSA-N 314.382 -0.090 30 20 DBED CNC(=O)[C@]1(C)CCN(C(=O)C(=O)N2CCC[C@@H](C#N)C2)C1 1336466477 WUEHPIMCFCCYLQ-XHDPSFHLSA-N 306.366 -0.267 30 20 DBED C=CC[C@@H](CC)NC(=O)C(=O)NC1CCN(CC(=O)NC)CC1 1345053043 KTRDHDKRWGTFOV-GFCCVEGCSA-N 324.425 -0.216 30 20 DBED C#CCCCCNC(=O)C(=O)N(CC)[C@@H]1CCS(=O)(=O)C1 1346474610 MVDCUYVXGRCHSM-GFCCVEGCSA-N 314.407 -0.058 30 20 DBED C#CCOCCNC(=O)C(=O)N[C@@H]1CCN(c2ccccn2)C1 1346543863 PRIDVFFEOYIPTM-CYBMUJFWSA-N 316.361 -0.458 30 20 DBED C=CCN(C(=O)C(=O)Nc1ccc(=O)n(CC(N)=O)c1)C1CC1 1349565178 YXOXBQCYIRCTKB-UHFFFAOYSA-N 318.333 -0.551 30 20 DBED C=CCn1cc(CNC(=O)C(=O)NC2CCC(C)(O)CC2)nn1 1354529616 WMMQGZPLTRCEDJ-UHFFFAOYSA-N 321.381 -0.110 30 20 DBED C=CCNC(=O)[C@H](C#N)C(=O)C1CCN(S(C)(=O)=O)CC1 1357542482 HLEHMOOUZVZCJD-LLVKDONJSA-N 313.379 -0.331 30 20 DBED Cn1cc(Cl)c(C(=O)NCCn2cc(C#N)c(O)nc2=O)n1 1362689204 PZYZTWBCZPYYFA-UHFFFAOYSA-N 322.712 -0.363 30 20 DBED N#Cc1cn(CCNC(=O)[C@@H]2CC23CCOCC3)c(=O)nc1O 1362690385 SQWWVTSDKPDPHJ-NSHDSACASA-N 318.333 -0.247 30 20 DBED CC(C)c1nnnn1CC(=O)N(C)CCNC(=O)[C@@H](C)C#N 1373650216 SJJPVDFMRDLBEM-JTQLQIEISA-N 307.358 -0.469 30 20 DBED C[C@@H](CNC(=O)c1ncn(C)n1)CNC(=O)c1cc(C#N)c[nH]1 1375659176 HHCQYUVEVIMYMO-SECBINFHSA-N 315.337 -0.189 30 20 DBED N#Cc1ccc(CN2CC[C@@H]2CNC(=O)Cn2cnnn2)s1 1379937858 CFHCBHDLYHKGBI-SNVBAGLBSA-N 317.378 -0.003 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)CN2CCCNC2=O)CC1 1389952086 DZMNCMIMXXPUOM-SNVBAGLBSA-N 307.354 -0.674 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CC[C@H](NC(=O)Cn2ncnn2)CC1 1399250734 QUXMZNKVIRTKDS-GMTAPVOTSA-N 305.342 -0.624 30 20 DBED N#Cc1ccccc1CNC[C@H](O)CNC(=O)[C@@H]1COC(=O)N1 1406216866 MOBILTVBOCHBHB-STQMWFEESA-N 318.333 -0.767 30 20 DBED C[C@H]1CN(C(=O)CCn2cc(C#N)c(O)nc2=O)C[C@]1(C)CO 1412355007 FUTQPWSTCVHWEN-ZUZCIYMTSA-N 320.349 -0.312 30 20 DBED N#Cc1cn(CCNC(=O)C[C@H]2C[C@H]3CC[C@H]2O3)c(=O)nc1O 1418535814 BSFHJUNHWGQTMU-YUSALJHKSA-N 318.333 -0.106 30 20 DBED N#Cc1ccccc1CN1CC[C@@H]1CNC(=O)Cn1ncnn1 1423086320 AQOZTCVKJHSPEX-CQSZACIVSA-N 311.349 -0.065 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CN(C)C(=O)c1ccn(C)c(=O)c1 1425833581 LHHHGZNTUMKOHP-CMPLNLGQSA-N 320.349 -0.906 30 20 DBED COC(=O)CNC(=O)[C@@H]1CCCN1C(=O)c1ccc(C#N)n1C 1433531945 KWJYVZMSEAKUCN-NSHDSACASA-N 318.333 -0.209 30 20 DBED Cc1nnccc1C(=O)NCCn1cc(C#N)c(O)nc1=O 1434205822 CWGBHXYTZUUQDN-UHFFFAOYSA-N 300.278 -0.651 30 20 DBED C[C@@H](CNC(=O)Cn1ncnn1)NCc1ccc(F)c(C#N)c1 1441815672 CIDURGOYANGROZ-JTQLQIEISA-N 317.328 -0.022 30 20 DBED CO[C@@H](C(=O)NC[C@H](O)CNC(=O)c1cc(C#N)c[nH]1)C1CC1 1452321860 DCZNIVNIZFPCLO-DGCLKSJQSA-N 320.349 -0.482 30 20 DBED CC(C)[C@@H](C(=O)NC[C@H]1CCCN1CC(=O)NCC#N)N(C)C 1493108386 AWGIIUNYBXAJEF-HIFRSBDPSA-N 323.441 -0.207 30 20 DBED CCCNC(=O)NC(=O)CNC[C@H](C)CNC(=O)[C@H](C)C#N 1495633425 OUDXHOOOJBYZKD-WDEREUQCSA-N 311.386 -0.276 30 20 DBED Cn1c(O)nc(N2CC[C@H](NC(=O)C#CC3CC3)C2)cc1=O 1529163993 RFHXAHXCASSFOB-NSHDSACASA-N 302.334 -0.406 30 20 DBED C#CCN1CCC(C(=O)NCC[C@H](C)NCC(=O)NCC)CC1 1567241028 RTCDJUZEWWSLDZ-AWEZNQCLSA-N 322.453 -0.048 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](CO)Nc1ccc(-c2nn[nH]n2)nc1 1573577461 PSVWQPONTBNUEK-WPRPVWTQSA-N 316.325 -0.690 30 20 DBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1C[C@H](N)C1 1576253737 YWAINOHRURNLDV-DLOVCJGASA-N 322.390 -0.169 30 20 DBED C#CCN1CCC[C@@H](NS(=O)(=O)c2cc(C(=O)O)no2)C1 1588477132 KKCOWCHWMKDHDK-SECBINFHSA-N 313.335 -0.251 30 20 DBED C#CCN1CCC[C@H](NC(=O)N2CC[C@@](OC)(C(=O)O)C2)C1 1588477272 XKMPHSLGUSSVNX-WFASDCNBSA-N 309.366 -0.031 30 20 DBED C#CCSCCn1nnnc1N1CCO[C@H](CC(=O)O)C1 1588509796 NJBDTAQGSKDYLB-SNVBAGLBSA-N 311.367 -0.281 30 20 DBED CS(=O)(=O)CCCNc1cnc(-c2nn[nH]n2)c(C#N)n1 1591675117 VSQMPLVQVRZNMU-UHFFFAOYSA-N 308.327 -0.625 30 20 DBED C[C@@H]1CCN(C(=O)C(=O)N2CCC(C#N)(C(=O)O)CC2)CCO1 1594393454 ODCHZQOVLOUPNO-LLVKDONJSA-N 323.349 -0.159 30 20 DBED N#Cc1cccnc1NCCNC(=O)[C@@H]1CC(C(=O)O)=NO1 1594631892 PZWQQFHQLRJCGR-JTQLQIEISA-N 303.278 -0.289 30 20 DBED C[C@@H]1COCCN1CCn1c(N)nc(C#N)c1-c1nn[nH]n1 1603948547 NZPNHCYCXJMETE-MRVPVSSYSA-N 303.330 -0.762 30 20 DBED N#Cc1ncn(CC(=O)NOc2cccc(-c3nn[nH]n3)c2)n1 1606398786 VYXCRKDDZHSEBL-UHFFFAOYSA-N 311.265 -0.560 30 20 DBED N#C[C@H]1CN(S(=O)(=O)NCCCCCC(=O)O)CCO1 1611291432 ZWTNDIZAXGANBG-JTQLQIEISA-N 305.356 -0.310 30 20 DBED C[C@@H](C(=O)N(C)CCC#N)N1CCN(C(C)(C)C(N)=O)CC1 1645593070 FHULJSQXWZEHIG-LBPRGKRZSA-N 309.414 -0.372 30 20 DBED N#Cc1ccc(S(=O)(=O)NC2(C(N)=O)CCOCC2)cn1 1645928297 GXPWIAUKMYVVMI-UHFFFAOYSA-N 310.335 -0.734 30 20 DBED CNC(=O)[C@@H](O)CNC(=O)CCc1c(C)nc(O)c(C#N)c1C 1647166570 RUOUQMGXJGFSON-LBPRGKRZSA-N 320.349 -0.569 30 20 DBED C=CCNC(=O)[C@H](C)N1CC[C@@H](NC(=O)c2cnnn2CC)C1 1690089161 OTLZFPUCOHBJLP-NWDGAFQWSA-N 320.397 -0.207 30 20 DBED CCN1CCO[C@H](C(=O)NC[C@H](NCC#CCOC)C2CC2)C1 1752498865 FTVQTXLLSLAORL-HOTGVXAUSA-N 323.437 -0.159 30 20 DBED C=CCn1cc(C(=O)NC[C@@H](C)NCc2nncn2C)nn1 1752903549 QMROMJPQZRWDHM-SNVBAGLBSA-N 304.358 -0.499 30 20 DBED C#CCNC(=O)CN1CC[C@H](CCNC(=O)C2CC(OC)C2)C1 1753330446 JHRBBRNIGLQMAW-NFOMZHRRSA-N 321.421 -0.011 30 20 DBED C=CCNC(=O)CN[C@@H](CC)CNC(=O)[C@@H]1CCNC(=O)CC1 1753483344 OHOHYQJQCPJZFH-STQMWFEESA-N 324.425 -0.311 30 20 DBED N#CCNC(=O)CNCC1(NC(=O)c2cc[nH]n2)CCCC1 1753499678 FLVCPCCOUBNIDC-UHFFFAOYSA-N 304.354 -0.318 30 20 DBED CN1CC[C@H](C(=O)N[C@](C)(CNCC(=O)NCC#N)C2CC2)C1 1753528550 ZCIFPVQEHLSBSR-BLLLJJGKSA-N 321.425 -0.548 30 20 DBED C=CCOCC(=O)NCC1(NCC(=O)NC(N)=O)CCCC1 1753661368 INVKFKNIGUMMED-UHFFFAOYSA-N 312.370 -0.598 30 20 DBED C#CCNC(=O)CNCC[C@@H](C)NC(=O)C[C@@H]1CCCC(=O)N1 1753980312 FIAUCBORDYBKGE-OLZOCXBDSA-N 322.409 -0.721 30 20 DBED CC(C)C#CC(=O)NC/C=C/CNCCN(C)S(C)(=O)=O 1754133572 YSWMKIPQENIZQY-AATRIKPKSA-N 315.439 -0.201 30 20 DBED C=CCN1CC[C@@H](NC[C@@H](C)NC(=O)Cc2nonc2C)C1=O 1754247525 WZQJESSJEFDLCE-ZYHUDNBSSA-N 321.381 -0.198 30 20 DBED CN1CC[C@H](CC(=O)NCC2(NCC#N)CCOCC2)C1=O 1754737684 RKISGFZUUHQXJS-GFCCVEGCSA-N 308.382 -0.367 30 20 DBED CC#CCN1CCC[C@](CO)(NC(=O)C[C@@H]2CC(=O)NC2=O)C1 1754859835 DTLYYSAZKKJPPE-LRDDRELGSA-N 321.377 -0.994 30 20 DBED C#CCCNCC1(O)CCN(C(=O)CCCCC(N)=O)CC1 1755154561 AOMYRUMCZRYRKQ-UHFFFAOYSA-N 309.410 -0.002 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)c2ccn(C)n2)C[C@@H]1C 1755166149 WCAKGBLJYBVHBL-STQMWFEESA-N 317.393 -0.248 30 20 DBED C=CCNC(=O)CN(C)[C@H](C)CNC(=O)[C@H]1CCNC(=O)C1 1755298454 RNXJDTDDQGYEHC-NEPJUHHUSA-N 310.398 -0.749 30 20 DBED CC#CCN(C)[C@H](C)CNC(=O)C[C@@]1(C)CCS(=O)(=O)N1 1755324566 NQDQAOHEZCMXKQ-TZMCWYRMSA-N 315.439 -0.082 30 20 DBED C#CCN(C)CCOCCNC(=O)C(=O)N1CCC[C@@H](C)C1 1755544427 VLNKRDFJXAPWOO-CQSZACIVSA-N 309.410 -0.057 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](CO)NCCn1cccn1 1755639749 XFFVDRQPGXLRTR-MCIONIFRSA-N 308.382 -0.459 30 20 DBED C=CCNC[C@@H]1CC[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)C1 1755748678 YDKWGKPYKDVOSE-VXGBXAGGSA-N 308.382 -0.059 30 20 DBED C=CCNC(=O)CNC[C@H](O)CN(C)C(=O)c1ccnc(F)c1 1755774838 LJCJNGOPXXMIFB-LBPRGKRZSA-N 324.356 -0.455 30 20 DBED CN(C[C@@H](O)CNCC#N)C(=O)c1cnc2[nH]c(O)nc2c1 1755794562 SVBAAVHQHCSQRW-VIFPVBQESA-N 304.310 -0.790 30 20 DBED C=CC(C)(C)C(=O)NC[C@H](CO)NC(=O)Cc1cncn1C 1756540468 NEQXSDLNGIAGEJ-LLVKDONJSA-N 308.382 -0.232 30 20 DBED C#Cc1cncc(C(=O)NC[C@@H](C)N(CC)C(=O)CC(N)=O)c1 1756861777 QGMRJDASRJHVPE-LLVKDONJSA-N 316.361 -0.095 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(C)n2C)C1 1756976688 AYBBHXRYBWXLBT-TZMCWYRMSA-N 321.377 -0.162 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1CN(C(=O)[C@@]2(C)CNC(=O)C2)C[C@H]1O 1757022136 JPCNQUBYLAYLOD-GLKRBJQHSA-N 323.393 -0.587 30 20 DBED Cn1cc(C(=O)O)cc1C=NN1C(=O)[C@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C1=O 1776101932 BWXNCBBEEVRDKU-WYUUTHIRSA-N 315.285 -0.004 30 20 DBED C[C@]1(C(=O)O)CN(S(=O)(=O)N2CCC(C#N)CC2)CCO1 1776507705 XNFUNNUWNAOLBQ-GFCCVEGCSA-N 317.367 -0.358 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCCOC1)C2 1800456111 JSSULWPNTZSVEY-XPCVCDNBSA-N 306.362 -0.364 30 20 DBED N#CC1(C(=O)N2CCCC23CN(C(=O)[C@H]2CCC(=O)N2)C3)CC1 1842807574 RIHRVZJCKFNQEV-LLVKDONJSA-N 316.361 -0.228 30 20 DBED CN[C@@H](CC(=O)N1CCCC12CN(C(=O)CCC#N)C2)C(=O)O 1842950300 SVCBIDZAIVQNIH-NSHDSACASA-N 322.365 -0.444 30 20 DBED C[C@@H](S)C(=O)N1CCCC12CN(C(=O)[C@@H]1C[C@H](O)CN1)C2 1846370146 YDNSGGOGYIZVDR-VWYCJHECSA-N 313.423 -0.769 30 20 DBED C#CCNC(=O)COC(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O 18353936 IMUWCHOBDBNFAI-RYUDHWBXSA-N 320.345 -0.156 30 20 DBED C=CCN(CC=C)C(=O)[C@H](C)N1CCN2C(=O)C(=O)NC[C@@H]2C1 152671370 VRIPWEARHRHMCG-QWHCGFSZSA-N 320.393 -0.782 30 20 DBED CC(=O)NC[C@H]1CN(CC(=O)N[C@@](C)(C#N)C2CC2)CCO1 172187130 RCIIAUZHEGANRG-ZFWWWQNUSA-N 308.382 -0.368 30 20 DBED CCNS(=O)(=O)CCNS(=O)(=O)c1cccnc1C#N 233530951 IAHMJRVIIZZAOM-UHFFFAOYSA-N 318.380 -0.829 30 20 DBED CN/C(=N/[C@@H]1CCn2ccnc2C1)NCCN1CCOCC1 262491704 XKVLOZWFKWTLIT-CYBMUJFWSA-N 306.414 -0.305 30 20 DBED CC(C)(C#N)c1ccc(NC(=O)C(=O)N2C[C@H](O)[C@@H](O)C2)cc1 277535048 MUNXDSOWSDJINP-STQMWFEESA-N 317.345 -0.010 30 20 DBED C=CCCOCCNC(=O)C(=O)N[C@@H]1CCc2nc(C)nn2C1 285963221 APNQFTFTZCHLGJ-GFCCVEGCSA-N 321.381 -0.274 30 20 DBED Cc1nnc(CCNc2c(C#N)c(=O)n(C)c(=O)n2C)s1 291199671 UIEOFPBSNCVGPX-UHFFFAOYSA-N 306.351 -0.230 30 20 DBED C#CCSCCNC(=O)C(F)(F)C(=O)N1CCOCC1 296371210 RKAXYAUFEJJZOP-UHFFFAOYSA-N 306.334 -0.037 30 20 DBED Cc1cc(NC(=O)Cn2c(=O)c(C#N)cn(C)c2=O)n(C)n1 298302439 KHDAEWJQHTUUKP-UHFFFAOYSA-N 302.294 -0.901 30 20 DBED CCS(=O)(=O)N1CCC[C@@H](/C(O)=N/CCn2ncnn2)C1 328751785 NEDVYJFFCWUIQB-SNVBAGLBSA-N 316.387 -0.309 30 20 DBED CC/N=C(/O)N1CC[C@H](NS(=O)(=O)C[C@H](C)C(=O)OC)C1 330990353 RLECOQKWWYHYHL-UWVGGRQHSA-N 321.399 -0.277 30 20 DBED CCN(C)C(=O)C/N=C(/O)N1CCO[C@H](c2n[nH]c(C)n2)C1 331180063 REWYCOMHYHFQHN-JTQLQIEISA-N 310.358 -0.121 30 20 DBED C=CCOC[C@H](NS(=O)(=O)N(CC)CCC#N)C(=O)OC 337154676 NCAHXRIJSFOVGP-NSHDSACASA-N 319.383 -0.199 30 20 DBED CCN(CC)C[C@@H](C)NS(=O)(=O)N1CCO[C@@H](C#N)C1 337188598 QLGHBAOMTMKJPB-NEPJUHHUSA-N 304.416 -0.225 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N1CCN2C(=O)CC[C@@H]2C1 337757832 IQEJLNDYIQCGCV-GHMZBOCLSA-N 300.384 -0.228 30 20 DBED CNC(=O)N1CCN(C(=O)Nc2ccn(CCC#N)n2)CC1 345230659 ZOYXGRCMEVRSOG-UHFFFAOYSA-N 305.342 0.286 30 20 DBED CN(c1ccc(C#N)nc1)S(=O)(=O)CCCS(N)(=O)=O 349452872 OLQLYSINICCQJL-UHFFFAOYSA-N 318.380 -0.602 30 20 DBED C=C[C@@H](CO)NC(=O)C(=O)Nc1cccc2c1oc(=O)n2C 354561518 GJTKDNNKZWUJGU-QMMMGPOBSA-N 305.290 -0.267 30 20 DBED CC(=O)N[C@@H]1CCCN(C(=O)Cn2nc(C)c(C#N)c2N)C1 356014089 PYICSAZMMRCASR-LLVKDONJSA-N 304.354 -0.228 30 20 DBED C[C@@H]1CN(CCN(C)C(=O)NCC(=O)NCC#N)C[C@@H](C)O1 358273795 KUMQGIXRQKKVTG-VXGBXAGGSA-N 311.386 -0.623 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@@H]2CCC[C@@]23NC(=O)NC3=O)c1 359525578 NDHRZUVNWSNRBG-LKFCYVNXSA-N 301.306 -0.006 30 20 DBED C=CCCn1cc(C(=O)Nc2cc(C)n(CC(=O)NC)n2)nn1 424755486 CONLVJNZUCEFQZ-UHFFFAOYSA-N 317.353 0.357 30 20 DBED CC(C)N=c1[nH]c(N(C)CC(C)(C)C#N)nc(=NCCO)[nH]1 432151985 UKGSWIZJNBRICU-UHFFFAOYSA-N 307.402 -0.074 30 20 DBED C#CCN1CCN(C(=O)CN(CCOCCO)C(C)C)CC1 491067036 GCCYYIKFFYDHSQ-UHFFFAOYSA-N 311.426 -0.517 30 20 DBED CNC(=O)CNC(=S)NN=C1CCN(C(=O)OC)CC1 491320505 REJXVWFWWCGNDC-UHFFFAOYSA-N 301.372 -0.585 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@@H](C)c2cnn(C)c2)CC1 491535124 ABTMFPSJZGJODX-ZDUSSCGKSA-N 317.393 -0.583 30 20 DBED C#CCNC(=O)C1CCN(CCC(=O)N2CCN(C)CC2)CC1 491752677 MLMHFYAUBZFPFQ-UHFFFAOYSA-N 320.437 -0.388 30 20 DBED COC(=O)CC[C@@H](NS(=O)(=O)N(C)[C@H](C)CC#N)C(=O)O 517945084 SAGIPSUFJWONGQ-RKDXNWHRSA-N 321.355 -0.539 30 20 DBED C=CCOC[C@H](NC(=O)[C@@H]1CCCS1(=O)=O)C(=O)OC 594351217 KNGWIOGITHZXBF-UWVGGRQHSA-N 305.352 -0.576 30 20 DBED COCn1nccc1S(=O)(=O)N1CCN(CCC#N)CC1 601536289 KPCSMIITCRYJIE-UHFFFAOYSA-N 313.383 -0.293 30 20 DBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)Cn1cncn1 610690388 KHXIKRRWJBXRCK-NSHDSACASA-N 312.337 -0.323 30 20 DBED CN(C)CCO[C@H]1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)C1 610764469 UXCNVFKVHXYDHE-NSHDSACASA-N 321.381 -0.887 30 20 DBED C=CCn1cc(CNC(=O)N[C@H](C)[C@@H]2CN(C)CCO2)nn1 644943147 CQCTWXQWADAEQF-YPMHNXCESA-N 308.386 -0.018 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)c1ccc(-c2nn[nH]n2)cn1 735381137 MHASPAGMZGJFMR-QMMMGPOBSA-N 300.278 -0.444 30 20 DBED N#CCNC(=O)COC(=O)COc1ccc(-c2nn[nH]n2)cc1 737696880 WOCWAKZWPXQVBT-UHFFFAOYSA-N 316.277 -0.572 30 20 DBED C#CCN1CCN(C(=O)CS(=O)(=O)NC(C)(C)C)CC1 744418989 CYVYLWDBRTZXLC-UHFFFAOYSA-N 301.412 -0.518 30 20 DBED C#C[C@H](CC)NC(=O)NCCS(=O)(=O)N1CCOCC1 753121772 UGHWQENPOXFEGH-LLVKDONJSA-N 303.384 -0.641 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1cc(O)nc(OC)n1 770517675 OEIIERUCQRERQU-ZETCQYMHSA-N 324.293 -0.252 30 20 DBED C#C[C@@H](NS(=O)(=O)CCCN1CCOCC1)[C@@H]1CCCO1 773054366 KDVBWNLOAWNKSJ-KGLIPLIRSA-N 316.423 -0.191 30 20 DBED C#C[C@H](NC(=O)[C@H](NS(C)(=O)=O)C(C)C)[C@@H]1CCCO1 775325490 CHFKOUQUUPMJJR-SDDRHHMPSA-N 302.396 -0.143 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N[C@H](C)[C@H]1CN(C)CCO1 783010528 FXFXGYAEGGXNDL-VXGBXAGGSA-N 319.427 -0.395 30 20 DBED C#CCOCCNS(=O)(=O)N1CCC[C@@H]1C(=O)OCC 784457353 HWQLCNKQJMMKDU-LLVKDONJSA-N 304.368 -0.502 30 20 DBED C[C@@H](OC(=O)CN1C(=O)CCC1=O)C(=O)NC1(C#N)CCC1 787565512 RMNQVGYGZLYFHU-SECBINFHSA-N 307.306 -0.370 30 20 DBED C=CCN1CC[C@@H](N(C)CN2C(=O)C(=O)N(C(C)C)C2=O)C1=O 799143953 RTDGREZMODBGIY-LLVKDONJSA-N 322.365 -0.138 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)NC[C@H](O)c2ccccc2)CCO1 800057136 VJTKAYWZEQIXDI-OLZOCXBDSA-N 311.363 -0.221 30 20 DBED C#CCCS(=O)(=O)NCc1cc(S(N)(=O)=O)ccc1F 808292465 CLQYXRODENZZOF-UHFFFAOYSA-N 320.367 -0.084 30 20 DBED C#C[C@@H](NC(=O)C(=O)N1[C@H]2CC[C@H]1CC(O)C2)[C@H]1CCCO1 809307502 DUUMCMXNWZLRRM-CDGCEXEKSA-N 306.362 -0.202 30 20 DBED C#CCNC(=O)CCNC[C@H]1CCC[C@]12NC(=O)N(C)C2=O 819129448 JCTPRUVESITIIW-ABAIWWIYSA-N 306.366 -0.564 30 20 DBED Cn1c(NCC(C)(C)C#N)c(-c2nn[nH]n2)c(=O)n(C)c1=O 826355845 PNXABJSNPNBXIH-UHFFFAOYSA-N 304.314 -0.774 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N[C@H]1CCC[C@H]1C(=O)NC 829183363 XLRPDDYPWZDQCN-OLZOCXBDSA-N 323.393 -0.484 30 20 DBED C=CCn1cc(C(=O)OCC(=O)N[C@H](C)C(=O)N(C)C)nn1 830131347 TZWRCXJDRSPXFR-SECBINFHSA-N 309.326 -0.786 30 20 DBED C#CCN(CC(=O)NCCn1ncnn1)C(=O)OC(C)(C)C 830147149 PEWBFENDGNHHLL-UHFFFAOYSA-N 308.342 -0.340 30 20 DBED C#CCOc1ccccc1NC(=O)C(=O)N1CCO[C@@H](CN)C1 841217261 NLCGDAIIBBHZDC-LBPRGKRZSA-N 317.345 -0.177 30 20 DBED C=CCS(=O)(=O)CCNS(=O)(=O)c1cnc(C)n1C 859102109 CHKIDGQSBLTODP-UHFFFAOYSA-N 307.397 -0.392 30 20 DBED CC(C)[C@@](C)(C#N)NC(=O)COC(=O)CN1CC(=O)N(C)C1=O 860303493 LONPFNIULKLEDW-CQSZACIVSA-N 324.337 -0.522 30 20 DBED C#CCNS(=O)(=O)N1CCN(c2cc(C)ncc2C#N)CC1 872632232 WHVUKJBURMLRHA-UHFFFAOYSA-N 319.390 -0.149 30 20 DBED N#Cc1ccccc1OC[C@H](O)CN1C[C@@H](CO)[C@@H](CO)C1 879696876 PFHGIUQDTBVLIK-QLFBSQMISA-N 306.362 -0.169 30 20 DBED C#CC1(O)CN(S(=O)(=O)Cc2ccc(C(=O)OC)cc2)C1 908229641 IQWRJAISVWXKMN-UHFFFAOYSA-N 309.343 -0.017 30 20 DBED CN1C[C@@H](C(=O)N[C@@H]2CCN(C(=O)C#CC3CC3)C2)CCC1=O 940977911 QMAWVGPYUCBKKA-UONOGXRCSA-N 317.389 -0.015 30 20 DBED Cc1cc(C(=O)NC[C@H]2CN(C(=O)[C@H](C)C#N)CCO2)cnn1 944567139 MUQGHDZPACVWSN-MFKMUULPSA-N 317.349 -0.098 30 20 DBED O=C(N[C@H]1[C@H]2C[C@H]1N(C(=O)C#CC1CC1)C2)C1CS(=O)(=O)C1 947224137 UTJUIRWTKCNALI-SUHUHFCYSA-N 322.386 -0.840 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC2(CCN([C@@H]3CCNC3=O)CC2)C1 949054349 YKUUGOWCOCSRIK-QWHCGFSZSA-N 320.393 -0.272 30 20 DBED CN1C[C@H](C(=O)NC[C@@H]2CCCN2C(=O)C#CC2CC2)NC1=O 956002956 RPPJGQJMKFYTIZ-QWHCGFSZSA-N 318.377 -0.469 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](CNC(=O)C2CS(=O)(=O)C2)C1 958095809 CBGFTGKADZCRPB-YPMHNXCESA-N 316.423 -0.594 30 20 DBED COCCn1nccc1C(=O)NC[C@@H]1CN(CC#N)C[C@H]1O 958170854 ALOBJOIEXNONQF-DGCLKSJQSA-N 307.354 -0.924 30 20 DBED C=CCCN1C[C@H](CNC(=O)c2cc(=O)c(OC)c[nH]2)[C@@H](O)C1 958262039 FQBPJJHSISWLLW-FZMZJTMJSA-N 321.377 -0.018 30 20 DBED C#CCCN1C[C@@H](O)[C@H](CNC(=O)c2ccc(C(N)=O)cc2)C1 958661473 KTZYKIZXGGAYPA-HUUCEWRRSA-N 315.373 -0.169 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cc2cnc[nH]2)C1 958976873 AXJGXEDSPYYBOF-USWWRNFRSA-N 305.338 -0.858 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)Cc1cnoc1 960796481 IXCSEGIYAIADPW-KGYLQXTDSA-N 318.333 -0.185 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H]2CN(C(=O)c3cnn(C)n3)C[C@@H]21 960884573 SXMKLADHEWQDFK-ZMLRMANQSA-N 318.337 -0.973 30 20 DBED Cc1cccc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)n1 961612339 PWCBRBBXOOGSIZ-WQAKAFBOSA-N 302.334 -0.149 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CN(C(=O)CN3CCCC3)CCO2)C1 965387705 MQKPETGJGGUFNV-CYBMUJFWSA-N 320.393 -0.318 30 20 DBED C[C@H]1CCN(CC#N)C[C@H]1NC(=O)CN1CCCS1(=O)=O 966521972 IIIUQXBZRJYCND-NWDGAFQWSA-N 314.411 -0.628 30 20 DBED C#CCCN1CC[C@@H](C)[C@@H](NC(=O)CN2CC(=O)NC2=O)C1 968430018 ASSCRRYSQHCKKG-NEPJUHHUSA-N 306.366 -0.612 30 20 DBED C=C(C)CN(C)[C@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 971563978 RDVRERJUWDQESA-NSHDSACASA-N 306.370 -0.514 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)[C@H]3OCCO[C@H]3C)C2)C1 972417390 UNLLHQWKZBAFNF-OFQRWUPVSA-N 308.378 -0.273 30 20 DBED C=C(C)CN1CCO[C@@]2(CCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)C1 972555305 XDRXAICOUHFFGC-WWGRRREGSA-N 307.394 -0.013 30 20 DBED Cc1cc(CC(=O)N[C@H]2[C@@H]3CN(C(=O)[C@H](C)C#N)C[C@@H]32)n[nH]1 976348715 NFVVNIQXFUGQAM-XFOOOJQKSA-N 301.350 -0.007 30 20 DBED CN1C[C@H](C(=O)N(C)C[C@@H]2CCN2C(=O)C#CC2CC2)CC1=O 977845590 PRTHLIPXFCLHDG-KGLIPLIRSA-N 317.389 -0.063 30 20 DBED CN(C[C@H]1CCN1C(=O)c1cc(C#N)c[nH]1)C(=O)c1cnn[nH]1 977973123 VUTQCMAVFGPZNP-SNVBAGLBSA-N 313.321 -0.009 30 20 DBED CC#CCN1C[C@@H]2CC[C@@H](NC(=O)Cn3cnnn3)C[C@H]2C1 979513070 JYDILHMPNCGCSG-MELADBBJSA-N 302.382 -0.087 30 20 DBED C=C(C)CN[C@H]1CCC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 981098499 KLEYQYKPQQMAKS-NWDGAFQWSA-N 320.397 -0.030 30 20 DBED C#CCN1CCC[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)[C@@H]1C 993916169 KPYBKJIBOBMXBX-WCQYABFASA-N 318.377 -0.700 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)c2cnc3c(c2)nnn3C)C1 996182658 GVMLPWSCMQUSDK-QMMMGPOBSA-N 313.321 -0.536 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)c2cn(CC)nn2)C1 998791324 LYJWVVHHZGKJPQ-YPMHNXCESA-N 319.365 -0.170 30 20 DBED C=CCN1CC[C@@H](N2CC[C@@H](NC(=O)Cc3cc[nH]n3)C2)C1=O 1010412785 DVMWQYSOSXDPBW-ZIAGYGMSSA-N 317.393 -0.070 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C(=O)c2cn(C)c(=O)cn2)CC1 1011940614 ZXPPLQWUMSYQLL-SNVBAGLBSA-N 303.322 -0.776 30 20 DBED C#Cc1cncc(C(=O)N2CCC[C@H](NC(=O)C(N)=O)[C@H]2C)c1 1015197587 ZVESLRMNZSQFIK-MFKMUULPSA-N 314.345 -0.343 30 20 DBED C=C(Cl)CN1CC[C@H](NC(=O)CN2CCNC(=O)C2)C1 1015508164 HJRNEPOOPCHCQZ-NSHDSACASA-N 300.790 -0.639 30 20 DBED C=CCN1CC[C@@H](NC(=O)Cn2ncn3nccc3c2=O)C1 1015789654 SZTRIQHXQDIAEJ-LLVKDONJSA-N 302.338 -0.733 30 20 DBED Cc1nn(CC(=O)N[C@@H]2CC23CCN(CC#N)CC3)c(=O)n1C 1016954660 IWIWCUPLOULPMR-GFCCVEGCSA-N 318.381 -0.616 30 20 DBED C#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1ccc(O)nc1=O 1017713856 LYVJLXSNYDYVMY-TXEJJXNPSA-N 302.334 -0.743 30 20 DBED C[C@H]1CN(C(=O)C(N)=O)CC[C@H]1CNC(=O)c1cc(C#N)c[nH]1 1020798638 JXPNNNSPXVKCMY-ONGXEEELSA-N 317.349 -0.414 30 20 DBED C=CCN1CC[C@@H](N(C)[C@@H]2CCCN(C(=O)CC(N)=O)C2)C1=O 1027340200 BKQUJWVWVQCSQI-CHWSQXEVSA-N 322.409 -0.429 30 20 DBED CC#CCN1CCC[C@H]1CNC(=O)c1cn(C)c(=O)n(C)c1=O 1028179129 XFIOJDNSNKLLER-LBPRGKRZSA-N 318.377 -0.699 30 20 DBED N#Cc1ccc(CN2CC(NC(=O)Cn3cnnn3)C2)cc1F 1030091357 XRHCJXLKKBMAHW-UHFFFAOYSA-N 315.312 -0.316 30 20 DBED C#CCN1CC(CNC(=O)[C@H]2COCCN2CC(F)F)C1 1031875882 FEWMITLIDMIWHL-GFCCVEGCSA-N 301.337 -0.367 30 20 DBED C=C(Cl)CN1CCO[C@H](CNC(=O)C2CS(=O)(=O)C2)C1 1035386822 JGAPNCVHGKSMDX-LLVKDONJSA-N 322.814 -0.400 30 20 DBED N#CCN1CCO[C@@H](CNC(=O)[C@H]2CCc3c[nH]nc3C2)C1 1035612405 YVYVGROHUNRTSD-AAEUAGOBSA-N 303.366 -0.145 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)c3ccc(=O)n(C)n3)CC[C@H]21 1036887610 ULGFJSSOCXSQFI-TZMCWYRMSA-N 300.362 -0.050 30 20 DBED C=CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1nc(O)nc(O)c1OC 1037671449 DDGHFIMYSFJKSB-HRDYMLBCSA-N 306.322 -0.115 30 20 DBED C#CCN[C@@H]1CCN(C(=O)Cn2ncn(C)c2=O)C[C@@H]1CC 1037867180 AAYOKDDUIVZOLX-QWHCGFSZSA-N 305.382 -0.568 30 20 DBED C=C(C)CCN1CC[C@H]1CNC(=O)c1cn(CC(N)=O)nn1 1039044162 VSLGJQYPFATMBI-NSHDSACASA-N 306.370 -0.466 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@@]1(O)CCN(C(C)=O)C1 1039715102 JDRBRQOLQSUVJF-ZFWWWQNUSA-N 311.382 -0.443 30 20 DBED Cc1nn(C)cc1C(=O)N1CC[C@@](O)(CNC(=O)[C@@H](C)C#N)C1 1040759454 BATYDWRGFJBDIH-ZUZCIYMTSA-N 319.365 -0.419 30 20 DBED C[C@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)c2ccc(O)nn2)C1 1040759484 BLCKBWTXQAVUGJ-OTYXRUKQSA-N 319.321 -0.965 30 20 DBED C#CCN1CCC2(CC1)CCN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)C2 1040847390 NOPFYJUVOUIFLZ-UONOGXRCSA-N 319.405 -0.033 30 20 DBED Cc1c[nH]cc1C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1O 1041051050 NVSWPYJBWICXCI-CHWSQXEVSA-N 312.333 -0.036 30 20 DBED Cc1ncsc1C(=O)NCC1(O)CN(C(=O)[C@H](C)C#N)C1 1041655959 SLFQVSDNVVWEQO-MRVPVSSYSA-N 308.363 -0.086 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)c2cc(OC)no2)C1 1042687765 FEHWVEXKSQZCNF-UHFFFAOYSA-N 321.333 -0.210 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)C2(N(C)C)CCC2)C1 1042940393 OCUDYLZQPFWPJC-UHFFFAOYSA-N 321.421 -0.180 30 20 DBED CCC(=O)NCC(=O)N1CC(O)(CNC(=O)C#CC(C)(C)C)C1 1042966140 OOWDCBBOPBEWNI-UHFFFAOYSA-N 323.393 -0.748 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)C2CC(OC)C2)C1 1043510847 IVCPKJZWNSYJIC-HIFPTAJRSA-N 324.377 -0.861 30 20 DBED C=CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)c2ccon2)C1 1043572455 VRYOUEJGLXXREZ-SNVBAGLBSA-N 309.322 -0.431 30 20 DBED CCc1cc(C(=O)NCC2(O)CN(C(=O)[C@H](C)C#N)C2)nn1C 1043727393 WKUKVIYVHJNMAW-SNVBAGLBSA-N 319.365 -0.555 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)c2cncnc2)C1 1044456282 SEQGHFCWJDEXHJ-UHFFFAOYSA-N 304.350 -0.008 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)c2cnc(O)n2C)C1 1044463985 KCFRJTKLXSPOIU-UHFFFAOYSA-N 322.365 -0.359 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2conc2C)C1 1045535574 MMAGLIWRRFGRLU-NSHDSACASA-N 321.333 -0.676 30 20 DBED C#CCCN1CCC(C)(NC(=O)c2cn(CC(N)=O)nn2)CC1 1045645965 PJIWSAHDFPWAQP-UHFFFAOYSA-N 318.381 -0.629 30 20 DBED Cc1nccn1CC(=O)N1CCN([C@@H]2CCN(CC#N)C2)CC1 1046084818 VNHNOJUONGOTCE-OAHLLOKOSA-N 316.409 -0.066 30 20 DBED CC#CCN1C[C@H]2C[C@@H](NC(=O)Cn3c(O)nnc3O)C[C@H]1C2 1047185868 AVRKSFALEDSAGI-QJPTWQEYSA-N 319.365 -0.318 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCN(C(N)=O)C2)C1 1047450105 PMMJAFIPZHDZMS-RDBSUJKOSA-N 322.409 -0.696 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]c(=O)cn2)C1 1047505686 SNALVKFEXPQMHH-QWRGUYRKSA-N 312.757 -0.361 30 20 DBED N#CCSCC(=O)N1C[C@H]2C[C@H](NC(=O)C(N)=O)C[C@H]1C2 1047707950 IRLGUZCGHANRHR-LPEHRKFASA-N 310.379 -0.776 30 20 DBED C[C@@H](NCc1nnnn1C)[C@@H]1CCN(C(=O)C#CC2CC2)C1 1047842705 BDUQDTXMBXMVGM-DGCLKSJQSA-N 302.382 -0.050 30 20 DBED C=CCC1(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)CC(N)=O)C2)CCC1 1048605084 LNUUHSKOKCLCPB-RYUDHWBXSA-N 323.393 -0.362 30 20 DBED C=C(C)CCC(=O)N(C)[C@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@@H]1O 1048946426 ZIIJBXDBGOIKSX-VOAKCMCISA-N 323.393 -0.506 30 20 DBED C=CCCN1C[C@H]2CN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C[C@H]2C1 1049084524 OVWJBXZPKDYYIF-TUAOUCFPSA-N 306.366 -0.449 30 20 DBED N#CCN1CCC2(CC1)CN(C(=O)CC[C@H]1NC(=O)NC1=O)C2 1050748498 PWHCRGUUIMYRQK-LLVKDONJSA-N 319.365 -0.577 30 20 DBED C#CCCN1CCOC[C@@H]1CNC(=O)c1cn(CC=C)nn1 1051156783 YAMIBNQKORBPBT-ZDUSSCGKSA-N 303.366 -0.082 30 20 DBED N#CCN1CCOC[C@H]1CNC(=O)[C@H]1CCc2n[nH]cc2C1 1051205467 YBKIQELCCXSNAF-WCQYABFASA-N 303.366 -0.145 30 20 DBED C=C(C)CN1CCOC[C@H]1CNC(=O)[C@@H]1CCCS1(=O)=O 1051253849 CAGUXWSMFYVTDU-OLZOCXBDSA-N 316.423 -0.043 30 20 DBED C#CCN1CCC(C(=O)NC[C@H]2COCCN2CCCO)CC1 1051254811 MBIXDPXCQMNIEH-INIZCTEOSA-N 323.437 -0.469 30 20 DBED C#CCN1CCN([C@H]2CCN(C(=O)CN3CCOCC3)C2)CC1 1052011324 QQKRDVTUDMDBQJ-INIZCTEOSA-N 320.437 -0.830 30 20 DBED C=CCCN1CC2(C[C@@H](NC(=O)CN3CC(=O)NC3=O)CO2)C1 1053959162 TUTLWWPDBCMQON-LLVKDONJSA-N 322.365 -0.926 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)c3ccc(C(N)=O)cn3)CO2)C1 1054022878 QHFULHGFJCIRPM-LLVKDONJSA-N 315.333 -0.723 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@](CO)(NC(=O)c2ccncn2)C1 1056069747 DBKBNMQORXIYPF-NHYWBVRUSA-N 317.349 -0.280 30 20 DBED Cn1cc(CC(=O)N[C@H]2[C@@H]3CN(c4cncc(C#N)n4)C[C@@H]32)cn1 1056147824 RFCWHQNNWBWFBF-VIKVFOODSA-N 323.360 -0.125 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 1056618068 MSNCXCDCLSYHPB-ZYHUDNBSSA-N 301.306 -0.504 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)c1c[nH]c(C#N)c1 1057392069 YRACHPFRILMEKP-SNVBAGLBSA-N 303.322 -0.403 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)c1csnn1 1058186212 XNXVRZKDVZCCCN-UHFFFAOYSA-N 314.367 -0.709 30 20 DBED N#Cc1ccc(N2CC[C@H](NC(=O)CN3CCOCC3)C2)cn1 1058324804 UVBHWPPIBFJPFI-AWEZNQCLSA-N 315.377 -0.020 30 20 DBED Cc1cc(OCC(=O)NCCN(CCO)C(=O)[C@@H](C)C#N)no1 1058658866 NDCGISXTSJDPKN-JTQLQIEISA-N 324.337 -0.541 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)[C@@H]1CCCCC(=O)N1 1058787399 HPCONEUWIZUMFE-NEPJUHHUSA-N 324.381 -0.858 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](CCNC(=O)CS(C)(=O)=O)C1 1060288532 AVWUBRFAGUWIAH-MNOVXSKESA-N 315.395 -0.455 30 20 DBED C[C@H](NC(N)=O)C(=O)N[C@H]1CC[C@H](CNC(=O)[C@H](C)C#N)CC1 1060718351 ZZRWJUMLZAXAQI-WRWGMCAJSA-N 323.397 -0.006 30 20 DBED N#Cc1cncc(N2CC[C@@H](CNC(=O)c3nccnc3N)C2)n1 1061551531 OTQDVZZMFULBBW-JTQLQIEISA-N 324.348 -0.023 30 20 DBED Cc1ccc(C#N)c(N2C[C@@H]3C[C@H]2CN3C(=O)Cn2cnnn2)n1 1062448128 QVRUPHMAZLNADI-STQMWFEESA-N 324.348 -0.262 30 20 DBED O=C(C#CC1CC1)NCC1(NC(=O)C2CS(=O)(=O)C2)CCC1 1062978019 ZVJCPBMWJPNHGW-UHFFFAOYSA-N 324.402 -0.401 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(NC(=O)[C@H]2C[C@H]2C(N)=O)CCC1 1063042758 CSIYIBDSBVRJEW-UTUOFQBUSA-N 321.377 -0.699 30 20 DBED N#Cc1cncc(N2CC[C@H]3CN(C(=O)CC(N)=O)CC[C@H]32)n1 1063998351 BCXQESXEXWRXQW-CMPLNLGQSA-N 314.349 -0.349 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H]1CN(C(=O)CC2CC2)CCO1 1064740659 DNURQZKMGPDQSG-CYBMUJFWSA-N 321.377 -0.730 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCO[C@H](CNC(=O)COCC)C1 1065152599 MJMZPVTVXYZQTK-QWHCGFSZSA-N 312.366 -0.595 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCO[C@H](CNC(=O)COC)C1 1065293276 ZEQYKUNYOTXAOL-KGLIPLIRSA-N 323.393 -0.926 30 20 DBED C=CC(C)(C)C(=O)N1CCO[C@@H](CNC(=O)Cn2cnnn2)C1 1065420684 MZAKCGDQLJMRSD-NSHDSACASA-N 322.369 -0.771 30 20 DBED N#Cc1nccnc1N1CCOC[C@@H]1CNC(=O)c1cnco1 1066509522 HXVNEWAMAOSYJJ-JTQLQIEISA-N 314.305 -0.029 30 20 DBED C[C@H](C#N)C(=O)N(C)CCCN(C)C(=O)[C@@H]1CC(=O)N(C)C1 1067616539 CUTZWXVYUBHQFY-VXGBXAGGSA-N 308.382 -0.069 30 20 DBED N#Cc1ccc(C(=O)NC[C@H]2CN(c3ncccn3)C[C@H]2O)[nH]1 1067668561 YSCLUSQFBXMTSB-GXFFZTMASA-N 312.333 -0.097 30 20 DBED N#Cc1ccc(N2C[C@H]3[C@H](CNC(=O)c4cnon4)[C@H]3C2)nn1 1068180817 RHGGHDRIZGTTDG-RTCCRHLQSA-N 311.305 -0.157 30 20 DBED C[C@@H]1[C@@H](Nc2cnc(C#N)cn2)CCN1C(=O)Cn1cnnn1 1068777332 RGWKSQCHVIYBKJ-KOLCDFICSA-N 313.325 -0.564 30 20 DBED C[C@H]1C[C@H](N=c2cc[nH]c(C#N)n2)CN1C(=O)c1cn(C)nn1 1069087647 SCRBJLVDIITAIK-UWVGGRQHSA-N 312.337 -0.386 30 20 DBED CN(C(=O)[C@H]1C[C@H]1C(N)=O)C1CC(N=c2cc[nH]c(C#N)n2)C1 1069794295 OFYZOEKXJFFICA-LXKPXOPUSA-N 314.349 -0.707 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@]2(F)CCOC2)C1 1070006377 SKRWQLWPGFUPCZ-MBNYWOFBSA-N 307.329 -0.619 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1n1ccnn1 1070178611 ADUKUZRXWPYCPW-KGLIPLIRSA-N 309.333 -0.234 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(NC(=O)[C@H](C)C#N)CCOCC1 1070232009 AENFRVMBIZKKOK-CHWSQXEVSA-N 321.377 -0.034 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)CCc4cnn[nH]4)C[C@@]3(C1)O2 1070857010 MYVNUJDZPLKDMQ-XNRPHZJLSA-N 315.377 -0.328 30 20 DBED CC#CCN1C[C@@H]2OC(=O)N([C@H]3CCN(C(=O)COC)C3)[C@@H]2C1 1070899478 ZFXDURIYMKDSQC-MJBXVCDLSA-N 321.377 -0.238 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)c2cnns2)CC1 1070943555 UKMVDQIABJWJGA-UHFFFAOYSA-N 309.395 -0.012 30 20 DBED C=CCCN1CCC2(C1)CN(C(=O)C[C@@H]1NC(=O)NC1=O)C2 1072822520 LEKWYILJGYKVHY-NSHDSACASA-N 306.366 -0.305 30 20 DBED C=CCN1CCCO[C@@H](CNC(=O)c2cc(=O)n(C)cn2)C1 1073642892 XFJASJPVOZKETM-LBPRGKRZSA-N 306.366 -0.213 30 20 DBED C[C@H]1C[C@H](NC(=O)C#CC2CC2)CCN1C(=O)Cn1ncnn1 1074982700 WIADWHKFDNDLLX-WCQYABFASA-N 316.365 -0.418 30 20 DBED C=CCCC(=O)NCC[C@H](C)NC(=O)CCn1ncn(C)c1=O 1075887142 YJYDOOSQFCCTTQ-LBPRGKRZSA-N 323.397 -0.051 30 20 DBED C#CCCCC(=O)N[C@@H](C)CCNC(=O)C1CC(=O)NC(=O)C1 1077383376 XJEGNQRNXNBNIC-NSHDSACASA-N 321.377 -0.146 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)c2nc(O)nc(O)c2OC)C1 1077997306 YKQCGRJMJIESSA-RKDXNWHRSA-N 324.337 -0.753 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)c2cnccc2N(C)C)C1 1078018041 KVTZMBOKRBHRLR-UKRRQHHQSA-N 302.378 -0.054 30 20 DBED C[C@@H](CCNC(=O)[C@@H]1CNC(=O)N1)NC(=O)c1c[nH]c(C#N)c1 1078091569 YNUXFMAQYSSWDU-KWQFWETISA-N 318.337 -0.808 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1c2ccccc2CCN1C(=O)C(N)=O 1079129299 QXNOSSBJXKNXGO-MFKMUULPSA-N 314.345 -0.126 30 20 DBED C#CCN1C[C@@H](NC(=O)C2CC3(C2)CS(=O)(=O)C3)[C@H](C)C1 1079950405 QLWZJKWXEWHZAO-DGCLKSJQSA-N 310.419 -0.119 30 20 DBED C=CCCOCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2ccon2)C1 1081303647 YVFQBUWWBFNOPT-DGCLKSJQSA-N 323.349 -0.184 30 20 DBED C=C1CC(C)(C(=O)NC[C@@H]2CN(C(=O)CC(N)=O)C[C@@H]2O)C1 1081752350 ICNMRADRNVKACG-MNOVXSKESA-N 309.366 -0.846 30 20 DBED C=C(C)CN1C[C@@H](NC(=O)Cn2ccc(O)nc2=O)[C@H](OC)C1 1081906216 FFZATFNVSBCFHJ-VXGBXAGGSA-N 322.365 -0.660 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CCN1CCCC1=O 1083277180 SFGBOMVBPWCWQF-UONOGXRCSA-N 305.378 -0.456 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCCc3nccn32)C1 1083524140 JKVHLBVUIKVTFN-MCIONIFRSA-N 302.378 -0.055 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCCN2c2ncccn2)C1 1083539202 KSDWJZNUFPUKFF-RDBSUJKOSA-N 317.393 -0.207 30 20 DBED CC(=O)N1CCCC[C@H]1CC(=O)N[C@@H]1CN(CC#N)C[C@@H]1O 1083855073 UHRPNPUQFWATMA-MJBXVCDLSA-N 308.382 -0.538 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN([C@@H](C)COC)C[C@@H]2O)nc1 1083969805 VGXPTVVAOXEZEW-GLQYFDAESA-N 303.362 -0.127 30 20 DBED CN(C[C@@H]1CCN1CC#N)C(=O)c1ccc(S(N)(=O)=O)o1 1085696494 LDRJJKNAIAGTHA-VIFPVBQESA-N 312.351 -0.403 30 20 DBED N#CCN1CC[C@@H]2CN(C(=O)CC3CS(=O)(=O)C3)C[C@@H]2C1 1088018420 XFIOUWQNVGEZFB-OLZOCXBDSA-N 311.407 -0.275 30 20 DBED C[C@@H]1CC[C@@H](NC(=O)CC(N)=O)CN1c1cncc(C#N)n1 1089128596 XPISREBGVCQTOM-NXEZZACHSA-N 302.338 -0.303 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2cn(C3CCC3)nn2)[C@H](O)C1 1090274857 WYGZAVBQOUEMMC-DGCLKSJQSA-N 304.354 -0.308 30 20 DBED CCOCC(=O)N[C@@H]1CN(c2cc(C)ncc2C#N)C[C@H]1O 1090365433 RDBGXFZSUKZNRS-TZMCWYRMSA-N 304.350 -0.036 30 20 DBED C=CCCN1CC[C@H](NC(=O)Cn2nc(C)n(C)c2=O)[C@H](O)C1 1090771425 SAMSNCALLMDIDX-QWHCGFSZSA-N 323.397 -0.982 30 20 DBED C=CCN1CC[C@H](NC(=O)Cc2nc3ncccn3n2)[C@H](O)C1 1090808941 QLQNJGGXIHDECT-NWDGAFQWSA-N 316.365 -0.596 30 20 DBED CO[C@@H]1CN(c2cc(C)ncc2C#N)C[C@H]1NC(=O)CC(N)=O 1090877444 OCUKOJQHKVNQLY-DGCLKSJQSA-N 317.349 -0.543 30 20 DBED CO[C@@H](C(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@@H]1O)C(C)C 1091179476 VEYIYCPDIZXHTD-MBNYWOFBSA-N 319.365 -0.315 30 20 DBED C[C@@H]1[C@@H](NC(=O)CNC(N)=O)CCN1c1cnc(C#N)cn1 1091922468 FTQVJGQGPVGMTR-SCZZXKLOSA-N 303.326 -0.900 30 20 DBED C#CCOCCC(=O)N[C@H]1CCN(c2ncccn2)C[C@@H]1O 1092164546 NIOAWZABZJOMNY-STQMWFEESA-N 304.350 -0.428 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)Cn3cccn3)c3nccn32)C1 1092349345 CWBKHRYOOHZTGP-GFCCVEGCSA-N 311.349 -0.125 30 20 DBED C#CCCN1C[C@@H](C)[C@H](CNC(=O)c2nnc(O)nc2O)C1 1092784147 RZMGDIVMKCDJNT-NXEZZACHSA-N 305.338 -0.396 30 20 DBED CNC(=O)NCC(=O)N1CCN(c2ccc(C#N)c(C)n2)CC1 1093202129 IMXZQALGUXHVMF-UHFFFAOYSA-N 316.365 -0.161 30 20 DBED CNC(=O)NCC(=O)N[C@H]1[C@@H]2CN(c3ccncc3C#N)C[C@@H]21 1093361562 OXDITICZNRBTRK-YABSGUDNSA-N 314.349 -0.567 30 20 DBED N#Cc1ccc(NCCNC(=O)CC[C@@H]2NC(=O)NC2=O)cn1 1093624358 GGMJQPOYNRVIMB-NSHDSACASA-N 316.321 -0.530 30 20 DBED N#Cc1c(Cl)nsc1NCCNC(=O)[C@@H]1CNC(=O)N1 1094104276 HEVDHEJDTGUOGV-LURJTMIESA-N 314.758 -0.122 30 20 DBED CCN1CC(N2C[C@@H](NC(=O)c3ccc(C#N)[nH]3)CC2=O)C1 1094728542 YODIQTNDWSGFSW-NSHDSACASA-N 301.350 -0.079 30 20 DBED CN(CCCNC(=O)c1nnn(C)n1)c1ccc(C#N)nn1 1095698034 LHRSHMFDTCBTQC-UHFFFAOYSA-N 301.314 -0.872 30 20 DBED N#Cc1cnc(N2CC[C@H](NC(=O)CCc3cnn[nH]3)C2)cn1 1096488104 DXLIIBOSOPWFEH-NSHDSACASA-N 312.337 -0.206 30 20 DBED C[C@H](CNC(=O)C[C@H]1CCC(=O)N1)Nc1cncc(C#N)n1 1097949759 BCPDNDAYPLNIEE-NXEZZACHSA-N 302.338 -0.066 30 20 DBED COCC(=O)NCCC(=O)NC[C@H](C)Nc1nccnc1C#N 1098329182 DIQBDJUFFFVBDB-JTQLQIEISA-N 320.353 -0.582 30 20 DBED CC#CCN(CCO)C1CCN(C(=O)[C@H]2CCCC(=O)N2)CC1 1098401233 JABCHHQWRVFTDP-OAHLLOKOSA-N 321.421 -0.036 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)[C@@H]1CNC(=O)N1)C[C@H](C)O2 1098630553 HYTJKNPVSKYAET-STQMWFEESA-N 320.393 -0.617 30 20 DBED N#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCS(=O)(=O)N2)C1 1099167880 WVVPYFBQRFEUNT-LOWVWBTDSA-N 312.395 -0.828 30 20 DBED O=C(C#CC1CC1)N[C@H]1CCN(CCn2cncn2)C[C@@H]1O 1099826360 KFPTYIDLZJYVFL-KBPBESRZSA-N 303.366 -0.757 30 20 DBED C=CCCN1CC[C@H](NC(=O)CCS(=O)(=O)NC)[C@H](O)C1 1099832605 JWGYSJGYNXUSOL-NWDGAFQWSA-N 319.427 -0.947 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CCc2cncnc2)[C@H](O)C1 1099916243 KTHYMTLDGJYMOZ-HUUCEWRRSA-N 302.378 -0.016 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2cc(F)c[nH]2)[C@H](O)C1 1099922535 WMWACLQHXQECHA-TZMCWYRMSA-N 309.341 -0.031 30 20 DBED C#CCNC(=O)[C@H](C)NC1CC(CNC(=O)c2cocn2)C1 1100181842 BAHHQSRTIBYYHC-UNXYVOJBSA-N 304.350 -0.090 30 20 DBED C#CCOCCC(=O)NCC1CC(N[C@@H]2CCC(=O)NC2=O)C1 1100325872 AKCGESOGBOCBBE-WXRRBKDZSA-N 321.377 -0.684 30 20 DBED CCC(=O)NCC(=O)NC[C@H]1CCCN1c1ccc(C#N)nn1 1100810121 PAIOMBKCGTVEAM-GFCCVEGCSA-N 316.365 -0.041 30 20 DBED C=CCCNC1CC(CNC(=O)Cn2nc(C)n(C)c2=O)C1 1100934566 QKZNDZAPNNPNFD-UHFFFAOYSA-N 307.398 -0.049 30 20 DBED CCCN(CCNC(=O)CNC(N)=O)c1ccnc(C#N)n1 1101083543 IHQQEBXPFLDRNM-UHFFFAOYSA-N 305.342 -0.651 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CN(CC(=O)NCC#N)C[C@@]2(C)C1 1101173332 RRKZGHUVXAQRMT-ZOWXZIJZSA-N 303.366 -0.434 30 20 DBED CN(CCNc1cncc(C#N)n1)C(=O)c1cc(C(N)=O)c[nH]1 1101728641 FTNGQZDOPHZRTM-UHFFFAOYSA-N 313.321 -0.041 30 20 DBED Cc1cc(C#N)nc(N2CC[C@H](CCNC(=O)C(N)=O)C2)n1 1102387703 YNJJPMNSVHMWJR-JTQLQIEISA-N 302.338 -0.525 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@@H]1CCN(c2ccc3nnnn3n2)C1 1102701601 FPJIUZKBDUXGHG-VHSXEESVSA-N 300.326 -0.284 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)[C@@]1(C)CNC(=O)C1 1104746901 CUMXJEIGJINABM-MEBBXXQBSA-N 316.365 -0.445 30 20 DBED COC(=O)NCC(=O)N(C)CCN(C)c1ccc(C#N)nn1 1105355958 RYZWAULFRPNNTN-UHFFFAOYSA-N 306.326 -0.401 30 20 DBED C=CCN1CC(OC2CCN(C(=O)CCNC(N)=O)CC2)C1 1105733916 QONJFNRIMYFBDX-UHFFFAOYSA-N 310.398 -0.077 30 20 DBED Cn1nccc1C(=O)NC[C@H](O)CN=c1cc[nH]cc1C#N 1105740292 WYCNQOWVOHHKKC-LLVKDONJSA-N 300.322 -0.689 30 20 DBED N#Cc1cccnc1NC[C@H](O)CNC(=O)CCc1nc[nH]n1 1105783101 URCOBSUUNYWPEV-LLVKDONJSA-N 315.337 -0.407 30 20 DBED Cc1ncccc1C(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1 1105934072 AHUUEEMOBHERCY-LLVKDONJSA-N 312.333 -0.324 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@@H](C)[C@H](CNCC(=O)N(C)C)C1 1106111477 NJJIRTLFUOYWLY-HZSPNIEDSA-N 309.410 -0.203 30 20 DBED C[C@@H]1[C@H](C(=O)NC[C@H](O)CNc2cncc(C#N)n2)CCN1C 1106152722 GHMAPWMBJAGOPL-RAIGVLPGSA-N 318.381 -0.423 30 20 DBED CCC(=O)N[C@@H](C)C(=O)N[C@H](C)CCN=c1cc[nH]c(C#N)n1 1106618944 HWOSGDLFTFZHCW-MNOVXSKESA-N 318.381 -0.008 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)CS(C)(=O)=O 1106686189 DYGCOTJFKODJDG-UHFFFAOYSA-N 311.367 -0.925 30 20 DBED C#CCNC[C@@H]1CN(C(=O)CCCN2C(=O)CNC2=O)C[C@H]1C 1106966795 IQMNHKFGEPGZMW-CHWSQXEVSA-N 320.393 -0.364 30 20 DBED C#CCCN1CC(n2cc(CNC(=O)CN(C)C(C)=O)nn2)C1 1107132132 KTXCBZWKIWICFQ-UHFFFAOYSA-N 318.381 -0.747 30 20 DBED C#CCOCCC(=O)NCc1cn(C2CN(C[C@@H](C)O)C2)nn1 1107171330 SOWCGBRZVYODJT-GFCCVEGCSA-N 321.381 -0.828 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)c2ccc(C(N)=O)[nH]2)C1 1108219356 DZNYIOZYUBHLAX-HNNXBMFYSA-N 304.350 -0.433 30 20 DBED C=CC(C)(C)C(=O)N[C@H]1CC(=O)N(C2CN(CCCO)C2)C1 1108564306 IGSJALNOPRTOLW-LBPRGKRZSA-N 309.410 -0.018 30 20 DBED N#Cc1cnc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)CC(N)=O)c(F)c1 1109697386 HWCFSVRIWBDUQN-DVYJOKAKSA-N 303.297 -0.339 30 20 DBED N#Cc1cnc(NC[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C2CC2)cn1 1109978371 QILZQYULZFVMDU-WOPDTQHZSA-N 314.349 -0.224 30 20 DBED CN(C)C(=O)CC(=O)NCC1(N=c2cc[nH]cc2C#N)CC1 1110361899 IJVVDBZOPGFTOP-UHFFFAOYSA-N 301.350 -0.086 30 20 DBED C[C@]1(NC(=O)CCNC(N)=O)CCN(c2ccnc(C#N)n2)C1 1110760540 OYXMQOHORRTITB-AWEZNQCLSA-N 317.353 -0.508 30 20 DBED N#Cc1nccnc1N1CC[C@](O)(CNC(=O)[C@@H]2CCCO2)C1 1111030944 ACOIVJSRFMYWSZ-WFASDCNBSA-N 317.349 -0.415 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCN([C@@H](C)C(=O)NC(N)=O)CC1 1112804811 SEJSVIDXBRNKQM-HZMBPMFUSA-N 312.370 -0.959 30 20 DBED C#CCO[C@H](C)C(=O)N1CCN(CC(=O)NCC(C)C)CC1 1112846172 HWQRPUMBZUNSGA-CQSZACIVSA-N 309.410 -0.059 30 20 DBED C[C@H](N=c1cc[nH]cc1C#N)[C@@H](C)NC(=O)CS(C)(=O)=O 1112927230 YCDQULLDWKJMJE-VHSXEESVSA-N 310.379 -0.275 30 20 DBED C[C@H](CC(=O)N1CCN(CC(=O)NCC#N)CC1)[C@@H]1CCCO1 1113578718 PNRUNUCPPOCKGL-KGLIPLIRSA-N 322.409 -0.024 30 20 DBED Cc1cc(C#N)nc(N(C)[C@H](C)CNC(=O)CCNC(N)=O)n1 1113609643 PYUZNJLMBJCUBZ-SNVBAGLBSA-N 319.369 -0.344 30 20 DBED C[C@@H](CNC(=O)Cn1ncnn1)N(C)c1ccc(C#N)cn1 1113723640 RATIRSGMSZPYPP-JTQLQIEISA-N 300.326 -0.419 30 20 DBED CC(C)n1nnnc1CN1C[C@H]2[C@H](NC(=O)[C@@H](C)C#N)[C@H]2C1 1114064203 NQMDBZZWKMFYMN-MEWQQHAOSA-N 303.370 -0.040 30 20 DBED Cc1[nH]ccc1C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1114105760 KIOAHDSBDYFZSA-IMRBUKKESA-N 301.350 -0.377 30 20 DBED COCC(C)(C)C(=O)NC1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]12 1114568484 QKPZHPCFVZWSET-GHMZBOCLSA-N 308.382 -0.655 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)Cc3occc3C)[C@H]2C1 1114806114 PQKFPIAJYJFCAO-LAQFHYBYSA-N 315.373 -0.074 30 20 DBED CC(C)(C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21)C(F)F 1114816683 GXJFEKVGIKSDNG-JZYVYDRUSA-N 314.336 -0.036 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)C[C@H]3CCN(C)C3)[C@H]2C1 1115119416 WXOAFSBFJGDDPY-WVZRYYJFSA-N 318.421 -0.876 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3ccc(C#C)nc3)[C@H]2C1 1115139781 JOZCJVMCAILMFI-GJZGRUSLSA-N 322.368 -0.528 30 20 DBED COCCCCC(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1 1121182813 FEZBIIQMXUHXKA-LLVKDONJSA-N 307.354 -0.524 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)[C@@H]2CCCOC2)nn1 1121196917 DNQQELUQAGKDCI-PWSUYJOCSA-N 305.338 -0.336 30 20 DBED C[C@H](OCC1CC1)C(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1 1121278457 KHABRPSMRUYRNK-CMPLNLGQSA-N 319.365 -0.526 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)[C@H]2CCNC(=O)C2)cn1 1121310862 LYTXGAFLTZZWIJ-GWCFXTLKSA-N 317.349 -0.632 30 20 DBED CO[C@H](C(=O)NC[C@H](CO)Nc1ccc(C#N)nn1)C1CC1 1121506845 YWGWEEYKJGFUJN-YPMHNXCESA-N 305.338 -0.338 30 20 DBED N#Cc1nccnc1N[C@@H](CO)CNC(=O)CN1CCCC1 1121580575 KEVVDDFGWGSGGZ-LLVKDONJSA-N 304.354 -0.667 30 20 DBED CNC(=O)CC(=O)N[C@H]1CCCN(c2ccnc(C#N)n2)[C@H]1C 1123538637 NQEOLPFFBADMQE-QWRGUYRKSA-N 316.365 -0.042 30 20 DBED CN(C[C@H](O)CNc1ccc(C#N)cn1)C(=O)[C@@H]1COC(=O)N1 1124270695 BGBXOJNJXZEDLR-MNOVXSKESA-N 319.321 -0.707 30 20 DBED C=CCCO[C@H](C)C(=O)NCCNCc1nnc2n1CCOC2 1124484104 QLTSMEQJHBYXHU-GFCCVEGCSA-N 323.397 -0.005 30 20 DBED CN(C[C@@H](O)CNc1cncc(C#N)n1)C(=O)Cc1cnc[nH]1 1124785674 CSNNKCOQUROCDH-LBPRGKRZSA-N 315.337 -0.455 30 20 DBED C=C[C@](C)(O)CC(=O)NCCNCC(=O)Nc1cnccn1 1126365690 MOQPETZUNHYDGJ-AWEZNQCLSA-N 307.354 -0.552 30 20 DBED C#CCCN1CCn2ncc(CNC(=O)[C@@H](C)CC(N)=O)c2C1 1128432247 SZNLZFDVVMWUHH-LBPRGKRZSA-N 317.393 -0.150 30 20 DBED C=CCCC(=O)N[C@@H]1CN(CCOCCO)C[C@@H]1n1ccnn1 1128816628 ONLYIJFXKXYZGK-KGLIPLIRSA-N 323.397 -0.405 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)CCc2ncc[nH]2)C1 1128945271 RZZRFMOVWUNIHH-OLZOCXBDSA-N 313.365 -0.391 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)C[C@@H]1CCC(=O)NC1 1129270050 SNTWUBZOKDGGFV-RYUDHWBXSA-N 310.398 -0.701 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCNCc1nnnn1C1CC1 1129770464 GMEZJBYCNOZDDB-ZDUSSCGKSA-N 317.397 -0.689 30 20 DBED C=CCNC(=O)CNCCNC(=O)C12CCCN(CCC1)C2 1130167355 UEIVXCFGODRGLO-UHFFFAOYSA-N 308.426 -0.130 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)C2(C(=O)NC)CC2)CC1 1131388143 GAGKNLMHYJPDOU-UHFFFAOYSA-N 322.409 -0.651 30 20 DBED COCC#CCN1C[C@H](NC(=O)CCNC(N)=O)CC[C@H]1C 1132478182 JSWHQDCLFCCOBC-CHWSQXEVSA-N 310.398 -0.336 30 20 DBED C#CCNC[C@@H]1CN(C(=O)CN(C)C(=O)COC)CC[C@@H]1C 1132874796 MYWOBJIRQQABGO-UONOGXRCSA-N 309.410 -0.201 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)c1[nH]c(C)nc1C 1133988800 HNHAJKJASSWVSM-UHFFFAOYSA-N 322.369 -0.642 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)c1cnnn1C 1134288405 HUWVENLWFIVJBW-QWRGUYRKSA-N 306.370 -0.949 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)c1cnnc(O)c1)NCC(=O)NCC#N 1134677236 XIAORHNWWOEUCY-VHSXEESVSA-N 320.353 -0.692 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1scc2c1OCCO2 1146500653 MDPJRGVLHSLGCK-UHFFFAOYSA-N 323.374 -0.412 30 20 DBED C[C@@H]1CC[C@H](C(=O)N2CC3(CCN(CC(=O)NCC#N)C3)C2)O1 1148304536 GUHQTPZTVCQYEM-CHWSQXEVSA-N 320.393 -0.272 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H]1CN(CC#CCOC)CCCO1 1149707455 KIBTYOBDJGCPCU-JKSUJKDBSA-N 322.405 -0.118 30 20 DBED COCCC1(NC(=O)CC(=O)N(C)C)CCN(CC#N)CC1 1151352006 OVNCGVNCXDQHBJ-UHFFFAOYSA-N 310.398 -0.024 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)c2cncn2C)C1=O 1161919551 ZCEVZUJAVGHEEK-LBPRGKRZSA-N 305.382 -0.084 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)[C@H](C)CC(N)=O)C1=O 1163919448 WRCNHJFCKRBUTQ-VXGBXAGGSA-N 310.398 -0.619 30 20 DBED C=CCn1cc(C(=O)NCCCN[C@H](C)c2nnnn2C)nn1 1167839163 VVYQVLALTFGTIM-SNVBAGLBSA-N 319.373 -0.542 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)CCCn1ccnc1 1177351530 HCPKWGMHINQVCK-AWEZNQCLSA-N 319.409 -0.103 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H](NCCOCCO)[C@@H]2C)nn1 1179673966 DGGYHPOQGPLJIG-STQMWFEESA-N 323.397 -0.334 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC[C@H](NCC(=O)NC(N)=O)[C@@H]1C 1180269065 LIAIEDWJPOHHCV-DCAQKATOSA-N 312.370 -0.649 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2nonc2C)[C@H]1C 1180288195 SRVNAVHCCLWNJH-QWRGUYRKSA-N 305.338 -0.680 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2c(C)nnn2CC)C1 1183214903 VTTGCTROVHTWCO-GFCCVEGCSA-N 318.381 -0.840 30 20 DBED COCC(=O)NCCC(=O)N1CC[C@@H](CNCC#N)[C@H](C)C1 1184525284 VTFZCYCJCBZWMY-OLZOCXBDSA-N 310.398 -0.263 30 20 DBED C[C@H](C(=O)N1CC[C@@H](N(C)CC(=O)NCC#N)C1)n1cccn1 1188974826 XFBRMVDZNDIIBY-CHWSQXEVSA-N 318.381 -0.383 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC[C@H](N(C)CC(=O)NC(N)=O)C1 1189919255 ZYVFEERQLWGGEG-HZMBPMFUSA-N 312.370 -0.959 30 20 DBED N#CCSCC(=O)N[C@@H]1CN(CCOCC(F)F)C[C@H]1O 1191161504 DMCLTBREJZMTCM-NXEZZACHSA-N 323.365 -0.314 30 20 DBED C#CCCCCC(=O)N[C@@H]1CN(Cc2ncnn2C)C[C@H]1O 1192287865 CUCHXBRJSQXVGI-CHWSQXEVSA-N 305.382 -0.330 30 20 DBED CC#CCCCC(=O)N[C@@H]1CN(CCN2CCCC2=O)C[C@H]1O 1195423359 VFMYHLBKZPGSLX-HUUCEWRRSA-N 321.421 -0.036 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2occc2CC)C1 1195881682 PDWISCWTFIPVJW-CHWSQXEVSA-N 319.361 -0.634 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)CC2=CCOCC2)C1 1195949155 ZYDAPXSPIXCOEA-ZIAGYGMSSA-N 323.393 -0.813 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(CC(=O)NC(C)C)C[C@H]1O 1199292879 WCVZUOMMLOQHGY-CHWSQXEVSA-N 313.398 -0.735 30 20 DBED C#CCNC[C@@H]1CN(C(=O)CN(C)C(=O)C(C)C)CCCO1 1200634851 MXXCEFLGMISUAB-CQSZACIVSA-N 309.410 -0.059 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC(CNCc2nnnn2C)CC1 1205249234 POVDSSGXXBLBNM-GFCCVEGCSA-N 320.397 -0.423 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)[C@@H](OC)C2CC2)C1 1207935836 XBIIONJPLVAMNJ-ZFWWWQNUSA-N 307.394 -0.259 30 20 DBED C=CCN[C@H]1CCCN(C(=O)CNS(=O)(=O)N(C)C)C1 1209883286 CGGXPYUFGNGYBO-NSHDSACASA-N 304.416 -0.851 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2ccoc2)[C@H](OC)C1 1211842393 SWNBEGQNTSMBLT-CHWSQXEVSA-N 305.334 -0.542 30 20 DBED CCn1cc(C(=O)N2C[C@@H](NCC(=O)NCC#N)[C@H](C)C2)cn1 1214351800 DJZKAZQMZPCVLM-DGCLKSJQSA-N 318.381 -0.407 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](NCc2n[nH]c(C)n2)[C@H](C)C1 1214473492 KAUQHGXETAMZAT-ZYHUDNBSSA-N 318.381 -0.811 30 20 DBED C=CCn1cc(C(=O)N2C[C@@H](NC[C@H](O)COC)[C@H](C)C2)nn1 1215833268 ZVIJCNVVHRUAKF-FRRDWIJNSA-N 323.397 -0.479 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)Cn2ccnc2C)C[C@H]1C 1216756125 TUIGAPBOIILCPJ-TZMCWYRMSA-N 317.393 -0.623 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)CC(F)(F)F)C1 1219306667 WGXWRDVSTLMLHQ-BBBLOLIVSA-N 323.315 -0.209 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)[C@H](C)OCC2CC2)C1 1219320933 XXRRFFVDTDHNPN-CFVMTHIKSA-N 310.394 -0.387 30 20 DBED N#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C2=CCCCCC2)C1 1219511402 OEDIWEPOXIDOEJ-KGLIPLIRSA-N 320.393 -0.322 30 20 DBED C#CCCCCCC(=O)N[C@@H]1CN(Cc2nnnn2C)C[C@@H]1O 1220144943 PSRRHDQPWNVGIR-OLZOCXBDSA-N 320.397 -0.545 30 20 DBED C=CCCCN1C[C@H](O)[C@H](NC(=O)Cn2ccccc2=O)C1 1220942486 VBUCTYUMPRKIFK-KGLIPLIRSA-N 305.378 -0.024 30 20 DBED COCCN1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)C1 1261447304 UYLZURZMFAWAMS-XQQFMLRXSA-N 308.382 -0.368 30 20 DBED C=CCn1c(CCO)nnc1N(CC)CCS(C)(=O)=O 1262991210 CSCWQIJEESWQFT-UHFFFAOYSA-N 302.400 -0.130 30 20 DBED C#CCOCCN(C)CC(=O)NCC(C)(C)N1CCOCC1 1319552283 HPNSBSBCWNVHAZ-UHFFFAOYSA-N 311.426 -0.205 30 20 DBED CC[C@@H](CC#N)NC(=O)C(=O)Nc1ccn(CC(=O)N(C)C)n1 1320701474 HMEALGMRWNSRQR-JTQLQIEISA-N 320.353 -0.282 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N[C@H]1CCN(C(=O)NCC)C1 1323527524 GRIRVCXXSUPTGG-QWRGUYRKSA-N 312.370 -0.776 30 20 DBED C=CCCO[C@@H](C)C(=O)OCC(=O)N[C@@H]1CCS(=O)(=O)C1 1324480958 YJYSFZHBZMTAKX-WDEREUQCSA-N 319.379 -0.186 30 20 DBED C#CCOCCNC(=O)C(=O)NCCN(C)CC(F)(F)F 1324856848 CRHSFCLIJCHVKV-UHFFFAOYSA-N 309.288 -0.637 30 20 DBED C[C@H]1C(=O)N(C)CCN1C(=O)C(=O)N1CCC(C)(C#N)CC1 1324900271 CPXSWGMNWIKRLT-NSHDSACASA-N 306.366 -0.172 30 20 DBED CCCN(C(=O)C(=O)N1CC[C@](O)(CC#N)C1)[C@H]1CCN(C)C1 1328445336 PSWQJABYKADYQD-XJKSGUPXSA-N 322.409 -0.194 30 20 DBED C#C[C@@H](NC(=O)C(=O)N(C)Cc1cn(C)nn1)[C@@H]1CCCO1 1329031996 WBTSLEUJCGRDSO-NEPJUHHUSA-N 305.338 -0.930 30 20 DBED CCOC(=O)CNC(=O)C1CCN(C(=O)C#CCOC)CC1 1329209296 LZNKGFFJLDIQJW-UHFFFAOYSA-N 310.350 -0.446 30 20 DBED CC(C)OC[C@@H](CO)N(C)C(=O)C(=O)N1CCC[C@@H](C#N)C1 1335561690 RFPWEZSOVYENTH-QWHCGFSZSA-N 311.382 -0.007 30 20 DBED CNC(=O)[C@H](C#N)C(=O)c1cc(S(=O)(=O)N(C)C)oc1C 1342579943 PVLIPLUZJWNHCN-SECBINFHSA-N 313.335 -0.093 30 20 DBED C#CCNC(=O)C1CCN(C(=O)NCCCNC(C)=O)CC1 1344717023 FPRKRVOTSNICLH-UHFFFAOYSA-N 308.382 -0.316 30 20 DBED CCc1cc(NC(=O)C(=O)N2CC[C@](O)(CC#N)C2)nn1C 1345810505 RGSCOWLNOWLWGJ-CQSZACIVSA-N 305.338 -0.202 30 20 DBED Cc1ncc(CNC(=O)Cn2cc(C#N)c(O)nc2=O)s1 1362080495 WFABLIAHCCSKSS-UHFFFAOYSA-N 305.319 -0.098 30 20 DBED CN(CC1(O)CCCC1)C(=O)Cn1cc(C#N)c(O)nc1=O 1362310395 IGGSZJSJFWAISG-UHFFFAOYSA-N 306.322 -0.416 30 20 DBED N#Cc1cn(CCNC(=O)OC[C@H]2CCCO2)c(=O)nc1O 1364914191 ZGSCPMJOPDIIGB-SNVBAGLBSA-N 308.294 -0.274 30 20 DBED C[C@@H](C#N)C(=O)NCC(C)(C)CN(C)C(=O)C1(NC(N)=O)CC1 1380537631 AOAIJBVKYOYHLH-JTQLQIEISA-N 323.397 -0.052 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@@H]1CCN(C(=O)CCS(C)(=O)=O)C1 1385383890 ZBRTYRYXWRIHIM-GHMZBOCLSA-N 315.395 -0.360 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1cc(CN(C)C)on1 1389117276 VYNZKSORBVEEIO-VHSXEESVSA-N 323.353 -0.897 30 20 DBED Cc1nc(CC(=O)NC[C@@H](C)NC(=O)c2cc(C#N)c[nH]2)n[nH]1 1389164182 MLSRJKBKMAALQX-MRVPVSSYSA-N 315.337 -0.210 30 20 DBED Cn1c(=O)[nH]c(N2CCOC3(CCOCC3)C2)c(C#N)c1=O 1412878340 KPCJTALFJOUJIA-UHFFFAOYSA-N 306.322 -0.669 30 20 DBED C[C@H](CNCC(=O)NC(=O)NC1CC1)CNC(=O)[C@H](C)C#N 1419461582 YOGMZCGTSVBLFJ-NXEZZACHSA-N 309.370 -0.524 30 20 DBED CCN(CCNC(=O)[C@H](C)C#N)CCN1CCCS1(=O)=O 1420371656 VEGXBRHONNCBQW-GFCCVEGCSA-N 316.427 -0.380 30 20 DBED CNC(=O)NCC(=O)N1CC[C@H](CN(C)C(=O)[C@@H](C)C#N)C1 1430075890 GLLBEBLCQFRTIM-WDEREUQCSA-N 309.370 -0.618 30 20 DBED CCN(CCNC(=O)[C@@H](C)C#N)C(=O)[C@H]1CCCS1(=O)=O 1431686740 DCTIUBQJHJUKIL-WDEREUQCSA-N 315.395 -0.312 30 20 DBED Cn1cc([C@H]2C[C@@H](NC(=O)Cn3cnc(C#N)n3)CCO2)cn1 1434029337 HMURPBGOOQPWPI-NWDGAFQWSA-N 315.337 -0.080 30 20 DBED CC(C)(C#N)CS(=O)(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 1434594259 SEDCIJIFPJYMHI-SNVBAGLBSA-N 323.440 -0.120 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](C)CNC(=O)Cc1nc2ncccn2n1 1458291336 UWZJHVOYNBVBEK-VHSXEESVSA-N 315.337 -0.553 30 20 DBED Cc1cc(NC(=O)N2CCC(O)(C(N)=O)CC2)nn1CCC#N 1476352002 HXDKGDKBJGULPT-UHFFFAOYSA-N 320.353 -0.051 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@@H](C)CNC(=O)c1cc(=O)n(C)cn1 1486910210 WTMZYZJVSNPOFE-UWVGGRQHSA-N 305.338 -0.483 30 20 DBED Cc1cc(C)n(CC(=O)NC[C@H](O)CNC(=O)[C@H](C)C#N)n1 1533297843 CNZWEMXTDOUAAS-SKDRFNHKSA-N 307.354 -0.747 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CCN(C[C@H](O)COC)C2)nc1 1566679061 MLPZWNZEAUNBNW-KGLIPLIRSA-N 303.362 -0.126 30 20 DBED N#Cc1cn(CC(=O)N2CCC[C@@H]2CC(=O)O)c(=O)nc1O 1571092122 OVDAWKJEDQVMNS-SECBINFHSA-N 306.278 -0.714 30 20 DBED C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H](CNS(N)(=O)=O)C1 1574852577 VMVWWMZYIBAORA-ZJUUUORDSA-N 324.834 -0.512 30 20 DBED CS(=O)(=O)CC[C@H](N)C(=O)N[C@H](CC#N)C(F)(F)F 1579339892 NRQINNLHHQGTCN-NKWVEPMBSA-N 301.290 -0.291 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N2CCC[C@@H]3CC[C@@]32CN)CCO1 1580041941 KIQCILOMVNWDFC-JHJVBQTASA-N 314.411 -0.341 30 20 DBED N#Cc1ccc(CN2CC(=O)NCC23CNC3)c([N+](=O)[O-])c1 1580066693 QEFHUDPISAZPAA-UHFFFAOYSA-N 301.306 -0.260 30 20 DBED O=C(CCN/C(O)=C1\N=CC=CC1=O)N[C@@H]1COC2(CNC2)C1 1580536390 MQHUWVLBSDJKEC-NJERVBSYSA-N 320.349 -0.850 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCc1ccnc(-c2nn[nH]n2)c1 1588351491 WVZGPVIQWJLPID-ZDUSSCGKSA-N 311.349 -0.025 30 20 DBED C#CCN(CC(=O)O)S(=O)(=O)c1cncc(C(=O)OC)c1 1588426426 JICULYWKAONPNP-UHFFFAOYSA-N 312.303 -0.423 30 20 DBED C#CCN1CCC[C@@H](NC(=O)N2CCN(C)C[C@@H](C(=O)O)C2)C1 1588475893 ITNIBLKQFIQKDG-ZIAGYGMSSA-N 322.409 -0.258 30 20 DBED C#CCOCCC(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2C[C@H]2C(=O)O)C1 1588489507 BIZRUCANDWZJQR-WHOHXGKFSA-N 308.334 -0.490 30 20 DBED C#C[C@@H](CO)NC(=O)[C@@H](C#N)Cc1ccc(-c2nn[nH]n2)cc1 1602687589 CTBOEEZWPMXUSU-OLZOCXBDSA-N 310.317 -0.341 30 20 DBED C#CCN1C[C@@H]2CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)[C@@H]2C1 1602722378 OVLRUCWEPBOEMA-GXFFZTMASA-N 311.349 -0.026 30 20 DBED C=CCN1CC[C@H](N(C)[C@H]2CCN(CCC(=O)O)C2=O)C1=O 1602898512 VHUJSUXZMMNUHX-RYUDHWBXSA-N 309.366 -0.219 30 20 DBED C[C@](CO)(NS(=O)(=O)c1ccc(F)cc1C#N)C(=O)O 1604198753 LUUYOLHJKQBMQT-LLVKDONJSA-N 302.283 -0.189 30 20 DBED N#CCNC(=O)CNC(=O)NCc1ccc(CC(=O)O)cc1 1608188131 OHYHERDIJYHHQI-UHFFFAOYSA-N 304.306 -0.247 30 20 DBED N#CCN1CCC(NC(=O)c2cnccc2-c2nn[nH]n2)CC1 1609496051 IGVJKFHYOQGXSE-UHFFFAOYSA-N 312.337 -0.021 30 20 DBED C[C@H]1CN(CCC(=O)O)CCN1S(=O)(=O)N(C)CCC#N 1609876036 ZDTBLRPMHWONID-NSHDSACASA-N 318.399 -0.443 30 20 DBED Cn1c(=O)[nH]c(N2CCN(c3nccs3)CC2)c(C#N)c1=O 1650226182 BEAUXECSUKKASL-UHFFFAOYSA-N 318.362 -0.272 30 20 DBED C#CCN1CC[C@H](NC(=O)CNS(=O)(=O)CCCC)C1 1713088302 CGZZTYLFTWUAIS-LBPRGKRZSA-N 301.412 -0.470 30 20 DBED C#CCNC(=O)[C@H](C)N(C)CCCNC(=O)Cc1[nH]cnc1C 1752103271 GZJVMGRRFYVDIK-ZDUSSCGKSA-N 319.409 -0.163 30 20 DBED CC(C)N1CCCC[C@H]1C(=O)NC[C@@H](C)NCC(=O)NCC#N 1752902653 GEUJGBCHYCIMRN-KGLIPLIRSA-N 323.441 -0.017 30 20 DBED C#CCNC(=O)CN[C@H](C)CCNC(=O)c1cnc(C)cn1 1753001958 QWUIWKPVDAFMLI-LLVKDONJSA-N 303.366 -0.368 30 20 DBED C=CCNC(=O)CN1CCC[C@@H]1CNC(=O)C[C@@H]1CCC(=O)N1 1753113588 QSPVECAXIRBRNK-QWHCGFSZSA-N 322.409 -0.462 30 20 DBED CC(C)C#CC(=O)N(C)CCNCC(=O)N1CCO[C@H](C)C1 1753187525 KRJSPFSUOBHIIA-CQSZACIVSA-N 309.410 -0.059 30 20 DBED C=C(C)CN1CCN(CCN(C)C(=O)[C@H]2C[C@H]2C(N)=O)CC1 1753343443 PTTRKYFDTSARRV-KGLIPLIRSA-N 308.426 -0.240 30 20 DBED CC#CCN1CCN(CCN(C)C(=O)CN2CCCC2=O)CC1 1753344295 YVTTUDHQHOAMGT-UHFFFAOYSA-N 320.437 -0.292 30 20 DBED COCC#CCNC[C@H](C)CNC(=O)C(=O)NCC(F)F 1753622632 KSVSNXLIBWCESQ-JTQLQIEISA-N 305.325 -0.641 30 20 DBED CC(C)C#CC(=O)N[C@@H](CNCc1nc(=O)n(C)[nH]1)C1CC1 1754438656 CVLHUMRNKPSKLX-LBPRGKRZSA-N 305.382 -0.248 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)Cc2nc[nH]n2)[C@H](C)C1 1754603686 LFCXYSPHFLWGQW-CHWSQXEVSA-N 305.382 -0.034 30 20 DBED Cc1ncnc(O)c1CCC(=O)N(CCO)CCNCC#N 1754886573 WBRYOZLVUGARIZ-UHFFFAOYSA-N 307.354 -0.643 30 20 DBED C#CCOCCC(=O)N1CC[C@H](CCNCc2nnn(C)n2)C1 1754914751 MBSKPDBJDKGLMQ-ZDUSSCGKSA-N 320.397 -0.422 30 20 DBED COCC#CCNCC[C@@H]1CCN(C(=O)[C@@H]2CCN(C)C2=O)C1 1754928712 WSMWUNHZQTVSKD-HUUCEWRRSA-N 321.421 -0.057 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC2(C[C@@H](NC(=O)C(F)F)CO2)C1 1755056347 ALHQROFRDBPVDU-NXEZZACHSA-N 317.336 -0.098 30 20 DBED CC1(C)CN(CC(=O)NCC#N)CC[C@H]1NC(=O)[C@H]1CCOC1 1755137417 SCPNASGGKMAFIO-QWHCGFSZSA-N 322.409 -0.121 30 20 DBED C=CCNC(=O)CNCC1CC(NC(=O)c2cnn(CC)n2)C1 1755209720 OGSPBAUPPFCYSZ-UHFFFAOYSA-N 320.397 -0.302 30 20 DBED C#CCNC(=O)CN1CCC[C@@H](NC(=O)CN(C)C(C)=O)[C@H]1C 1755714370 LEALIUVBIXYOAC-TZMCWYRMSA-N 322.409 -0.817 30 20 DBED CN(C[C@H](O)CNCC#N)C(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 1755781612 XARWVXSEOGQRHJ-ZIAGYGMSSA-N 322.409 -0.433 30 20 DBED C#CCNC(=O)CN(C)C[C@@H](O)CN(C)C(=O)c1ccccc1 1755798238 QYVKWLYULYEAJD-OAHLLOKOSA-N 317.389 -0.199 30 20 DBED N#CCSCC(=O)NC[C@@H](CO)NC(=O)[C@H]1CCCOC1 1756504254 ZCQSHUKQZZRAST-QWRGUYRKSA-N 315.395 -0.737 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H]1C[C@@H](CNC(=O)c2cnn(C)n2)C1 1757324057 JQEFILQODHSKFP-SDDRHHMPSA-N 319.365 -0.522 30 20 DBED O=C(O)CNS(=O)(=O)c1ccc(C=NNCCCO)cc1 1776042928 LZJJYJPLCAGLLV-UHFFFAOYSA-N 315.351 -0.645 30 20 DBED CC[C@H](NN=C1CS(=O)(=O)N2C[C@H](OC)C[C@]12C)C(=O)O 1776067103 PVISEIBEZSBSJL-VDDIYKPWSA-N 319.383 -0.382 30 20 DBED C=CCN1C(=O)C(=O)N(Cc2nc([C@@H](N)CC(=O)O)no2)C1=O 1776181276 BIXMQBDMCDCPHX-LURJTMIESA-N 323.265 -0.979 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)NC(=O)CC 1793248842 DHDRPMWCUWDLGC-MCYUEQNJSA-N 321.377 -0.876 30 20 DBED N#CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCCOC1)C2 1795086143 SRANPQIISOXRHF-GUIRCDHDSA-N 321.377 -0.084 30 20 DBED CNCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C#CC(=O)O)C2 1796039646 IVMKJVUCZPFKSN-CLLJXQQHSA-N 321.377 -0.288 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(CO)on1)C2 1800454125 XAMAMSIGAKMKPG-WDAIWFPHSA-N 319.317 -0.997 30 20 DBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)C34CC(C3)C4)C2)C1 1839811087 GAPJHWDBAYTFSS-IMRCBTMISA-N 318.373 -0.124 30 20 DBED O=C(C#Cc1ccccc1)N1CC2(CCCN2C(=O)C(O)O)C1 1841235183 KFOPANRDGBXNJZ-UHFFFAOYSA-N 314.341 -0.448 30 20 DBED N#CC1(C(=O)N2CCCC23CN(C(=O)[C@@H]2CNC(=O)O2)C3)CC1 1842806727 YMMFXDFGDQLZAH-JTQLQIEISA-N 318.333 -0.398 30 20 DBED C=CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CNC(=N)N 1847811958 DISHHHBBYMGHMZ-WOPDTQHZSA-N 323.397 -0.738 30 20 DBED CN1CCO[C@H](C(=O)N(CCC#N)CCN2CCOCC2)C1 172726819 DELLAQSFBVURHW-AWEZNQCLSA-N 310.398 -0.609 30 20 DBED C=CCNC(=O)CNC(=O)NCc1c(CC)c(CC)n[nH]c1=O 180556372 IHUOCJCDBSYGFU-UHFFFAOYSA-N 321.381 -0.004 30 20 DBED C#CCCN/C(=N/C)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 261806442 SAOVACFGLKNBGA-HNNXBMFYSA-N 305.382 -0.105 30 20 DBED C/N=C(/NC[C@@H]1CN(C)CCN1C)N1CCC[C@@H](CC(N)=O)C1 261832833 VQZDNKYCEIBFSS-UONOGXRCSA-N 324.473 -0.605 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@](C)(CN)C2)C1=O 261994814 NBDSNVGTMGZIAZ-CQSZACIVSA-N 308.338 -0.840 30 20 DBED C#CC(C)(C)NC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C 265254732 UHKLSGSKUJRLJN-UHFFFAOYSA-N 300.318 -0.226 30 20 DBED CC(C)NC(=O)C(=O)N1CCN(c2ccc(C#N)nn2)CC1 301938786 SRRKCHOFJAFYIT-UHFFFAOYSA-N 302.338 -0.479 30 20 DBED CC[C@H](C)NC(=O)CC/N=C(\NC)NCCN1CCOCC1 303883467 MDILWTWSFQIJCE-ZDUSSCGKSA-N 313.446 -0.212 30 20 DBED CCNC(=O)CN1CCN(/C(O)=N/Cc2nc(C)no2)CC1 330477011 VSLKUJHSOLDYLY-UHFFFAOYSA-N 310.358 -0.454 30 20 DBED C[C@@H](NS(=O)(=O)N1CCO[C@H](C#N)C1)C1CCOCC1 336932429 CKRAHMFGYCIBPK-ZYHUDNBSSA-N 303.384 -0.140 30 20 DBED COCCN(CCC#N)S(=O)(=O)NC1(C(=O)OC)CCC1 336944942 MTXMJSINDWIDES-UHFFFAOYSA-N 319.383 -0.221 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)NC[C@H]1CC[C@@H](C(N)=O)O1 337764430 LTWIEXSDPYDOGW-BBBLOLIVSA-N 304.372 -0.912 30 20 DBED CS(=O)(=O)N1CCC(C(=O)Nc2ccc(C#N)cn2)CC1 346855926 MJJOZBJLSAKXHQ-UHFFFAOYSA-N 308.363 0.563 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@@H](C)c1n[nH]c(C)n1 352538853 QAQKYCLGGOABKF-VIFPVBQESA-N 316.387 -0.129 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N1CCN(C)C(=O)C1(C)C 407950633 AOCLVJDQZILFJA-SNVBAGLBSA-N 302.400 -0.125 30 20 DBED CNC(=O)[C@@H]1CCCN(S(=O)(=O)N(C)C[C@H](C)C#N)C1 407957682 PBEWFJPTUZFLHY-GHMZBOCLSA-N 302.400 -0.219 30 20 DBED CN(CCC#N)S(=O)(=O)N1CCOC[C@H]1[C@H]1CCCO1 408070279 INZFNLJGWCSABK-NWDGAFQWSA-N 303.384 -0.044 30 20 DBED C=CCCO[C@H](C)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)O)C1 424238987 JEMJLPPWNRBGIZ-NXEZZACHSA-N 305.352 -0.322 30 20 DBED C=CCn1cc(CNS(=O)(=O)c2ccnn2COC)nn1 425182158 YYCMLWAZLCBPNT-UHFFFAOYSA-N 312.355 -0.257 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2nocc2C)C1=O 440250703 BHZCHCAZXMTFBA-JTQLQIEISA-N 306.322 0.167 30 20 DBED CC(C)[C@@H](C#N)NC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 470355064 BKUBZTUVRWVWFJ-AIPRNEOBSA-N 305.334 -0.187 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)c2cncc(C#C)c2)CC1 490922688 GAOXAOTZHFUABS-UHFFFAOYSA-N 324.384 -0.040 30 20 DBED CC(C)(CC#N)CNC(=O)c1nc(N)nc(N2CCOCC2)n1 516188752 RLZWBLZKIMYHLN-UHFFFAOYSA-N 319.369 -0.040 30 20 DBED Cc1ccc(C#N)cc1S(=O)(=O)NC[C@@H](O)Cn1ccnn1 516878916 ZXEWZZYLVLSLFG-GFCCVEGCSA-N 321.362 -0.202 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1CC(n2ccnc2)C1 558561303 IVDXNFRCYKXYRG-UHFFFAOYSA-N 313.383 -0.153 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N(C)CCNC(C)=O 566796330 YQZPVOMLPDVTMN-OLZOCXBDSA-N 311.382 -0.322 30 20 DBED COC[C@H](O)CCNCCS(=O)(=O)c1ccc(C#N)cn1 579231506 IKJQJQPRVXVZKO-GFCCVEGCSA-N 313.379 -0.286 30 20 DBED C=CCC[C@@H](NC(=O)[C@@H]1CCS(=O)(=O)N1)C(=O)OCC 593738919 OGJJZBIXUJOYKO-VHSXEESVSA-N 304.368 -0.308 30 20 DBED CC[C@@H](C#N)N(C)S(=O)(=O)c1cnn(CC(=O)OC)c1 594579191 KDHYLQWMSOOKNF-VIFPVBQESA-N 300.340 -0.021 30 20 DBED N#CCC1(CN2C(=O)N[C@@H](CC(=O)N3CCOCC3)C2=O)CC1 596245788 FOVPGARKZFKUDM-NSHDSACASA-N 320.349 -0.150 30 20 DBED N#CCCN1CCN(C(=O)C(=O)NC[C@H]2CCSC2)CC1 602257537 OQHIYQZNHIHPIB-GFCCVEGCSA-N 310.423 -0.086 30 20 DBED COCCCS(=O)(=O)NCC(=O)N[C@@H](C#N)CC(C)C 610905525 JDSLAOXITIPBJM-LLVKDONJSA-N 305.400 -0.003 30 20 DBED CC(C)(CNC(=O)N1CC[C@@](F)(C#N)C1)NS(C)(=O)=O 615538411 CXSMNJJXWMYIAF-LLVKDONJSA-N 306.363 -0.039 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@@]2(N)CC2(F)F)CC1 638060034 YHHWIYQATXQHPX-LBPRGKRZSA-N 302.325 -0.831 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C)C[C@H]2CCOC2)C1=O 675358385 UIKAPXFTVODLLD-GHMZBOCLSA-N 323.349 -0.106 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCN(S(=O)(=O)N(C)C)CC1 685599835 WUWVNWKVVMSVGZ-LBPRGKRZSA-N 305.400 -0.736 30 20 DBED N#Cc1cnn(CCOC(=O)CCN2C(=O)CCC2=O)c1N 731773790 WVLBEPMWKGZEKW-UHFFFAOYSA-N 305.294 -0.581 30 20 DBED CNC(=O)CNC(=S)NN=C1CCC(C(=O)OC)CC1 754946191 YHLRKJCWRZMWCQ-UHFFFAOYSA-N 300.384 -0.084 30 20 DBED C=CCN(CC(=O)O)C(=O)CNS(=O)(=O)CCCOC 762023341 VXCDBHRBHOYKKN-UHFFFAOYSA-N 308.356 -0.959 30 20 DBED COC[C@@H](C#N)OC(=O)CCNS(=O)(=O)c1cccnc1 785155542 QCOYGTTWOIJJRM-SNVBAGLBSA-N 313.335 -0.168 30 20 DBED C=CCOC[C@@H]1NC(=O)N(CCS(=O)(=O)C(C)C)C1=O 809186321 JYIFDUDAODPUOM-JTQLQIEISA-N 304.368 -0.067 30 20 DBED C#C[C@@H](NC(=O)C(=O)N1CCCC2(C1)OCCO2)[C@@H]1CCCO1 809305556 FTJRACNFJUNVDI-OLZOCXBDSA-N 322.361 -0.351 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCn2nc(C)nc2C1)[C@@H]1CCCO1 809308370 KRFAFGYTEGWRFM-RYUDHWBXSA-N 317.349 -0.774 30 20 DBED C#CCCS(=O)(=O)NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 810781330 OQFTZMSOIVCWKA-UHFFFAOYSA-N 314.323 -0.004 30 20 DBED C=CCSCCNC(=O)C(=O)NCCN(C)C(=O)OC 827494223 HHMIBWXTKSPPKK-UHFFFAOYSA-N 303.384 -0.164 30 20 DBED COCCCS(=O)(=O)N1CCN(C(=O)C#CC2CC2)CC1 837482083 VTSBFZCVYQRNTL-UHFFFAOYSA-N 314.407 -0.090 30 20 DBED Cc1cc(C=NNC(=S)NCCN2CCOCC2)nn1C 841606893 NLOYQMAENRUXMX-UHFFFAOYSA-N 310.427 -0.141 30 20 DBED C[C@H](CNC(=O)C(=O)NCCNc1ccc(C#N)cn1)C(=O)O 848608207 BWBFYJHZXAOQJV-SECBINFHSA-N 319.321 -0.682 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)Cn1cc(C(=O)OC)cn1 859970355 KMJPMGSXCPOVAV-UHFFFAOYSA-N 324.293 -0.775 30 20 DBED COCCNC(=O)[C@H](C#N)C(=O)Cn1cc(C(=O)OC)cn1 860468068 IIENYKNTNNQCTR-SNVBAGLBSA-N 308.294 -0.859 30 20 DBED C#CCC[C@@H](O)CNC(=O)c1ccc(NS(C)(=O)=O)nc1 861519424 MLMJBGSQTVWUNO-LLVKDONJSA-N 311.363 -0.043 30 20 DBED C#CCN1CCC[C@H](NC(=O)N2C[C@H](O)C[C@@H](C(=O)OC)C2)C1 890363549 PHFZIQKIQVHSIY-HZSPNIEDSA-N 323.393 -0.351 30 20 DBED C#CC1(O)CN(C(=O)Cc2ccc(S(=O)(=O)NCC)cc2)C1 890523451 CGNWTEUXPYRXNH-UHFFFAOYSA-N 322.386 -0.266 30 20 DBED C=CCOC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 916599847 KTJSBVKTIWPPKT-VIFPVBQESA-N 300.336 -0.119 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@H]2CCC(=O)N2)C1 937752259 FOJBTVJFEMSTTG-LOWDOPEQSA-N 321.377 -0.427 30 20 DBED CCN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CCN(C(=O)C(N)=O)C1 942731192 UQLMIXPCUBUKOX-SNVBAGLBSA-N 303.322 -0.565 30 20 DBED NC(=O)CC(=O)N1CCC2(CC1)CN(C(=O)C#CC1CC1)C2 944890389 BVMKGUBBEIZXKG-UHFFFAOYSA-N 303.362 -0.274 30 20 DBED CN1CC[C@@H](NCC2(O)CCN(C(=O)C#CC3CC3)CC2)C1=O 946922687 USROHNZEZPJFNN-CQSZACIVSA-N 319.405 -0.426 30 20 DBED Cn1c(C(=O)N2CCC3(CC2)CN(CC#N)CCO3)cnc1O 949433328 OXQDAIXRQJIJIP-UHFFFAOYSA-N 319.365 -0.044 30 20 DBED C#CCN1CCOC2(CCN(C(=O)Cn3cncn3)CC2)C1 949523277 KSBUTULOQGKIIR-UHFFFAOYSA-N 303.366 -0.395 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]1CNC(=O)c1ccn2nnnc2c1 951455957 ZACMOJRWKKEPTD-KOLCDFICSA-N 313.321 -0.385 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(CC)C1CN([C@@H]2CCNC2=O)C1 951785376 KYUNDXISSWSJLL-MCIONIFRSA-N 307.394 -0.001 30 20 DBED Cn1nncc1C(=O)NC[C@@H]1CCCN1C(=O)C#CC1CC1 956005130 XSCBVLIIQPIAIA-LBPRGKRZSA-N 301.350 -0.051 30 20 DBED C=CCCN1C[C@@H](O)[C@H](CNC(=O)c2cnc3[nH]nnc3c2)C1 958149454 SXPKGMGKEMKSQA-DGCLKSJQSA-N 316.365 -0.049 30 20 DBED Cc1c(C(=O)NC[C@@H]2CN(CC#N)C[C@H]2O)c(Cl)nn1C 958630851 LZAOXXGOTHOUFJ-NXEZZACHSA-N 311.773 -0.072 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)CN1CCCC1 960407154 ALTOLQUCTLWIKL-HZSPNIEDSA-N 320.393 -0.320 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H]2CN(C(=O)C3=CCOCC3)C[C@@H]21 960884515 RWGVRUXVZNBGNC-FPMFFAJLSA-N 319.361 -0.069 30 20 DBED C#CCCN1C[C@H]2[C@H](NC(=O)[C@@H]3Cc4cncn4C(=O)N3)[C@H]2C1 961312492 MIEOXGHURJFZEK-RFQIPJPRSA-N 313.361 -0.565 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@@H](N[C@H]3CCCNC3=O)C2)[nH]1 968441778 GMXWYNVZDZUICU-NEPJUHHUSA-N 301.350 -0.031 30 20 DBED C=CCN1CC[C@@H](C)[C@H](NC(=O)c2cn(CC(N)=O)nn2)C1 968680764 DHDMDPLLUISFNV-GHMZBOCLSA-N 306.370 -0.610 30 20 DBED C#CCOc1ncccc1C(=O)N[C@@H]1CN(C(C)=O)C[C@@H]1O 969331656 FRYMVZASTXJFDD-OLZOCXBDSA-N 303.318 -0.585 30 20 DBED CCCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)nn1 970229486 HKZSYVJHKUXLOH-FOGDFJRCSA-N 320.353 -0.851 30 20 DBED C#CCN1C[C@H]2CC[C@H]1CN2C(=O)c1cn(C)c(=O)nc1O 972105910 AEMSNFWQCIZPGC-WDEREUQCSA-N 302.334 -0.592 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3COC(=O)N3)C2)[nH]1 973183492 SPXHWMGGKJWMDK-FXPVBKGRSA-N 317.305 -0.628 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)C3(C(N)=O)CC3)[C@@H]2C1 974951617 ASQONUZSIAAYLX-GMTAPVOTSA-N 304.350 -0.529 30 20 DBED Cn1cnn(CC(=O)N2CC3(CCCN(CC#N)C3)C2)c1=O 981861356 NKPUZRGIZLZEAH-UHFFFAOYSA-N 304.354 -0.970 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H]1CCN(C(=O)C(N)=O)C1 988274095 FDPXPYMKXLPYMB-TUAOUCFPSA-N 309.366 -0.630 30 20 DBED O=C(N[C@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1O)c1cocn1 991325108 BFAVCUGDFMPHBG-AAEUAGOBSA-N 303.318 -0.220 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)[C@H](C2CC2)N2CCOCC2)C1 992641723 JLFMOFCTHLEUTN-FZMZJTMJSA-N 320.393 -0.416 30 20 DBED O=C1CC[C@@H](NC2CCN(C(=O)C#CC3CC3)CC2)C(=O)N1 996395318 ZTPDOFNFVKFVLE-CYBMUJFWSA-N 303.362 -0.214 30 20 DBED Cn1cncc1CC(=O)NC1CN(C(=O)c2c[nH]c(C#N)c2)C1 996445321 XQRIFUAXDOUREJ-UHFFFAOYSA-N 312.333 -0.197 30 20 DBED C#CCN[C@H]1CN(C(=O)c2cc(=O)n3[nH]cnc3n2)CC1(C)C 996522152 YDHVXWYDYGKVDH-NSHDSACASA-N 314.349 -0.509 30 20 DBED CN(C(=O)c1ccc(C#N)[nH]1)C1CC(NCc2nnn(C)n2)C1 998644259 CQYWKAXIOIZXQO-UHFFFAOYSA-N 314.353 -0.197 30 20 DBED CC(=O)N1CC[C@@](C)(C(=O)NC2CN(C(=O)C#CC3CC3)C2)C1 999702959 OLRVHRPCLODOBH-QGZVFWFLSA-N 317.389 -0.015 30 20 DBED C#CCN1CC=C(CNC(=O)[C@@H]2CN(C(C)=O)CCO2)CC1 1001419267 QPBDFQWJJIGJFF-HNNXBMFYSA-N 305.378 -0.385 30 20 DBED CC1(C)CN(C(=O)CC(N)=O)C[C@@H]1NC(=O)c1cc(C#N)c[nH]1 1008017898 WPXLMBLAZRNYKM-NSHDSACASA-N 317.349 -0.271 30 20 DBED N#Cc1cc(C(=O)N2CCCC3(CN(C(=O)C(N)=O)C3)C2)c[nH]1 1010819901 FRVBTADTXHFKDV-UHFFFAOYSA-N 315.333 -0.564 30 20 DBED CC#CCN1CC[C@@H](NC(=O)Cn2nc3n(c2=O)CCCC3)C1 1015957056 MYJWBMQDRHWOLT-CYBMUJFWSA-N 317.393 -0.405 30 20 DBED O=C1NC[C@@H](C(=O)NCC2=CCN(C(=O)C#CC3CC3)CC2)N1 1017688020 IDEJPQIBRJKLQM-ZDUSSCGKSA-N 316.361 -0.644 30 20 DBED COc1ccc(CN[C@H]2CCN(C(=O)C(N)=O)C2)cc1C#N 1019313474 WOKOLAASSSMKPN-LBPRGKRZSA-N 302.334 -0.257 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCN(C(=O)c3cnc(O)n3C)C2)C1 1019364356 CNMUGOVUDDWULP-SNVBAGLBSA-N 317.349 -0.040 30 20 DBED C#CCN1CC[C@@H]2[C@H](CCCN2C(=O)CN2CC(=O)NC2=O)C1 1021689036 UUHCFGKPBRXSEE-CHWSQXEVSA-N 318.377 -0.516 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2CCCN(CC(N)=O)C2)nc1 1023708936 NBSRIYVKJSQGQM-ZDUSSCGKSA-N 300.362 -0.010 30 20 DBED Cc1nc[nH]c1CC(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1024958340 NPOJSEDJEJSGSH-ZIAGYGMSSA-N 316.361 -0.638 30 20 DBED C#CCN1CCC(C(=O)NC[C@@H]2CCN(CC(=O)NC)C2)CC1 1029001880 FEPBSAQGQNYPTO-AWEZNQCLSA-N 320.437 -0.484 30 20 DBED N#CCN1CCO[C@@H](CNC(=O)c2c[nH]nc2[C@@H]2CCOC2)C1 1035461194 OQAVDYRESFXISQ-NEPJUHHUSA-N 319.365 -0.132 30 20 DBED C#CCCN1CCO[C@@H](CNC(=O)[C@@H]2CCCN2C(C)=O)C1 1035589914 UWDNLKRRNXGDBT-GJZGRUSLSA-N 307.394 -0.162 30 20 DBED C#CCN1CC2(CCN(C(=O)Cn3ncn(C)c3=O)CC2)C1 1035737218 UMWMSVLINKRHQK-UHFFFAOYSA-N 303.366 -0.861 30 20 DBED C#CCN1CC[C@H]1CNC(=O)c1cn(C[C@@H]2CCOC2)nn1 1038869522 QLYJPQMCQUXOCK-STQMWFEESA-N 303.366 -0.248 30 20 DBED CC(C)C#CC(=O)NC[C@]1(O)CCN(C(=O)c2ccnnc2)C1 1039667986 LJHYFRNEXQOWPE-MRXNPFEDSA-N 316.361 -0.171 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@]1(O)CCN(C(=O)C2CC2)C1 1040184895 OJZPEZYFTWEUGW-WMLDXEAASA-N 319.405 -0.426 30 20 DBED C#Cc1ccc(C(=O)NC[C@@]2(O)CCN(C(=O)COC)C2)cn1 1040437066 UWTYEDZLKYLATK-INIZCTEOSA-N 317.345 -0.598 30 20 DBED CC(C)C#CC(=O)N1CC[C@](O)(CNC(=O)c2nc[nH]n2)C1 1040550769 MZPMIUDXJMWOHG-AWEZNQCLSA-N 305.338 -0.843 30 20 DBED Cc1[nH]nc(C(=O)N2CC[C@@](O)(CNC(=O)[C@H](C)C#N)C2)c1O 1040759975 FCSHGZPMLCWPRI-XLKFXECMSA-N 321.337 -0.723 30 20 DBED Cc1ncoc1C(=O)N1CC[C@@](O)(CNC(=O)[C@H](C)C#N)C1 1040763185 NWOVLNJEILYZNV-YMTOWFKASA-N 306.322 -0.164 30 20 DBED N#Cc1nccc(N2C[C@@H](O)[C@H](NC(=O)[C@]3(F)CCOC3)C2)n1 1041303697 CSYLVVJLDHJDBX-RULNRJAQSA-N 321.312 -0.857 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)[C@]3(F)CCOC3)C2)nc1 1041304753 QNEYVZKKRIPYMO-JMSVASOKSA-N 320.324 -0.252 30 20 DBED N#CCN1CC[C@H]2CCN(C(=O)CN3CCOCC3=O)C[C@@H]21 1042098772 RZUCNYCFDUJRLH-STQMWFEESA-N 306.366 -0.708 30 20 DBED N#CCN1CC[C@@H]2CCN(C(=O)CN3CCCNC3=O)C[C@@H]21 1042136171 RPLBIZZAWNPFMN-OLZOCXBDSA-N 305.382 -0.152 30 20 DBED C#CCN1CC[C@H]2CCN(C(=O)CN3CC(=O)NC3=O)C[C@H]21 1042273874 VOMHFVBWHQWEEW-NWDGAFQWSA-N 304.350 -0.906 30 20 DBED C=CCN1CC[C@@H](N2CC(N(C)C(=O)[C@H]3CCOC3)C2)C1=O 1042523091 IYBBPTRBQFDWOI-GXTWGEPZSA-N 307.394 -0.048 30 20 DBED CC(C)[C@@H](C(=O)NCC1(O)CN(C(=O)[C@H](C)C#N)C1)N(C)C 1043472009 NXUIKSWAJPBSBR-NEPJUHHUSA-N 310.398 -0.578 30 20 DBED C#Cc1cccc(NC(=O)CN2CC(N(C)C(=O)C(N)=O)C2)c1 1043715099 UGFKFWUSGCTKJJ-UHFFFAOYSA-N 314.345 -0.766 30 20 DBED CN1CC[C@@H](C(=O)N[C@@H]2CN(c3ccncc3C#N)C[C@@H]2O)C1 1043966051 MPGPTGAXNJJRCH-KYOSRNDESA-N 315.377 -0.429 30 20 DBED C=CCCn1cc(C(=O)N(C)C2CN([C@H](CC)C(N)=O)C2)nn1 1044030039 LDTYQICVNUIZRM-CYBMUJFWSA-N 320.397 -0.126 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)c3cccnn3)C2)nc1 1044133136 UTBWNBWNWAMJDD-OLZOCXBDSA-N 310.317 -0.277 30 20 DBED Cc1n[nH]cc1C(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@@H]1O 1044358725 WOISOMCCXCBSJQ-OCCSQVGLSA-N 312.333 -0.036 30 20 DBED CC#CCCCC(=O)N1CC(O)(CNC(=O)C2(C(N)=O)CC2)C1 1045493356 GFUXYJFYPGHULL-UHFFFAOYSA-N 321.377 -0.865 30 20 DBED Cc1cc(CCC(=O)N2CC(O)(CNC(=O)[C@@H](C)C#N)C2)no1 1045553050 ZWWCALQABHGUMQ-JTQLQIEISA-N 320.349 -0.235 30 20 DBED CCc1oncc1C(=O)N1CC(O)(CNC(=O)[C@H](C)C#N)C1 1045555665 UDLRSECSNDJVEZ-SECBINFHSA-N 306.322 -0.300 30 20 DBED C#CCN1CCC2(CC1)CO[C@@H](CNC(=O)[C@@H]1COC(=O)N1)C2 1045669852 JMXMPGIBZNQGCQ-OLZOCXBDSA-N 321.377 -0.285 30 20 DBED C#CCCN1CC[C@@H](N2CCN(C(=O)c3ncn(C)n3)CC2)C1 1046026294 SBFVFYOYVRAGRU-CQSZACIVSA-N 316.409 -0.330 30 20 DBED C=C(C)CN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCS2(=O)=O)C1 1047633872 PLVHDBQBJWNCRG-RWMBFGLXSA-N 316.423 -0.357 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)Cc2cc[nH]n2)C[C@@H]1O 1049389229 VIQXTBCOGGGQNR-USWWRNFRSA-N 305.338 -0.858 30 20 DBED Cn1cnc(C(=O)N2CCC[C@H]3[C@@H]2CCN3CC#N)cc1=O 1049530699 ZEZCQBBHQBWVGQ-STQMWFEESA-N 301.350 -0.017 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)[C@@H]1CCn2cncc2C1 1050980649 YSNOZJCOTPUKPH-UKRRQHHQSA-N 302.378 -0.104 30 20 DBED C=CCN1CCN([C@@H]2CCN(C(=O)[C@H]3CCN(C)C3=O)C2)CC1 1052066439 WBBVGNKLQDWGNY-CABCVRRESA-N 320.437 -0.131 30 20 DBED C=C(C)CN1CCN([C@H]2CCN(C(=O)c3nnn(C)n3)C2)CC1 1052068161 XGVBEFPFVMYYPF-ZDUSSCGKSA-N 319.413 -0.382 30 20 DBED C#CCN1CCN([C@H]2CCN(C(=O)[C@@]3(C)CCNC3=O)C2)CC1 1052082914 YAKZARHVEFXDSY-YOEHRIQHSA-N 318.421 -0.636 30 20 DBED CC(C)C#CC(=O)N1C[C@H](CNC(=O)Cn2ncnn2)[C@@H](C)C1 1052553055 GBWWBNKPIDWQRM-STQMWFEESA-N 318.381 -0.457 30 20 DBED C[C@@H]1CN(C(=O)c2cnn[nH]2)C[C@H]1CNC(=O)CSCC#N 1052918862 ACUDWSFYSCEAHF-NXEZZACHSA-N 322.394 -0.114 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)c1cc(=O)n(C)cn1)CCO2 1053291133 ADCUGJAZJDJLLN-UHFFFAOYSA-N 316.361 -0.670 30 20 DBED C=CCN1CC2(CC[C@H](CNC(=O)[C@@H]3COCCN3C)O2)C1 1053592820 SAQZSMQUDQAJAN-KGLIPLIRSA-N 309.410 -0.147 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)c3cnn(C)c3N)CO2)C1 1053782853 DAAIDJDAGXHKEJ-NSHDSACASA-N 303.366 -0.401 30 20 DBED C#CCN1CCC(C(=O)N[C@H]2COC3(C2)CN(CCO)C3)CC1 1054016296 YZJDNRAZPZFOGI-OAHLLOKOSA-N 321.421 -0.717 30 20 DBED Cc1cc(C#N)nc(N[C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)C(N)=O)C3)n1 1054839448 KCZGIDYIFBVKGX-UMNHJUIQSA-N 314.349 -0.067 30 20 DBED C#CCOCCC(=O)N1C[C@@H]2CN(C(=O)CCOC)C[C@@H]2C1 1055121021 MEQJXNGUGAVXPV-OKILXGFUSA-N 308.378 -0.020 30 20 DBED C=CCCCC(=O)N1C[C@H]2CN(C(=O)Cn3ncnn3)C[C@H]2C1 1055349772 JRCVBEFZAZSCAW-BETUJISGSA-N 318.381 -0.054 30 20 DBED CN1CCC[C@@H]1C(=O)N[C@H]1[C@@H]2CN(c3ccc(C#N)nn3)C[C@@H]21 1056150618 UNIFBWBIEPJKTO-COMQUAJESA-N 312.377 -0.007 30 20 DBED CN1CCOC[C@@H]1C(=O)N1CC[C@@H](N=c2cc[nH]cc2C#N)C1 1056609123 LVNKDPZYHKACDN-UKRRQHHQSA-N 315.377 -0.281 30 20 DBED Cn1oc(C(=O)N2CC[C@@H](N=c3cc[nH]c(C#N)n3)C2)cc1=O 1056617863 HYARLNOEVXQDCI-SECBINFHSA-N 314.305 -0.612 30 20 DBED N#Cc1nccnc1NC1CCN(C(=O)Cn2ncnn2)CC1 1057374822 MZRVYVLRKKGJJJ-UHFFFAOYSA-N 313.325 -0.562 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)Cc1ccoc1 1057414269 MAMOYKRFYNISGT-UHFFFAOYSA-N 310.350 -0.038 30 20 DBED C=C(C)C[C@H](C)C(=O)NCCN(CCO)C(=O)CC(=O)NC 1057417408 TVVJSWNQPWCFPQ-LBPRGKRZSA-N 313.398 -0.338 30 20 DBED N#Cc1cnc(NCC2CCN(C(=O)CC(N)=O)CC2)cn1 1057484419 JXCJWRRFOHUDGE-UHFFFAOYSA-N 302.338 -0.126 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)[C@H](F)C(F)(F)F 1057830930 XQECLPQDSQPXOF-YUMQZZPRSA-N 313.251 -0.016 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)[C@@H]1CCCNC1=O 1057882404 ODJSBASKZOEPBT-CYBMUJFWSA-N 323.393 -0.747 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)c1ccnnc1C 1058201909 JGONDIDGBPTVBS-UHFFFAOYSA-N 322.365 -0.462 30 20 DBED N#Cc1nccnc1N1CCC[C@@H](NC(=O)[C@H]2CCNC2=O)C1 1058220910 PFYZRRLRYVYCOP-MNOVXSKESA-N 314.349 -0.431 30 20 DBED N#Cc1ccc(N2CC[C@H](NC(=O)C3=COCCO3)C2)nn1 1058276921 SZMSXDWTZQMNSR-NSHDSACASA-N 301.306 -0.069 30 20 DBED N#Cc1nccc(N2CC[C@@H](NC(=O)c3c[nH]c(=O)cn3)C2)n1 1058533042 SABZDSOEQRRNTM-SECBINFHSA-N 311.305 -0.560 30 20 DBED C[C@H](OCC1CC1)C(=O)NCCN(CCO)C(=O)[C@H](C)C#N 1058652692 CKLHPAHKFFRBLD-NEPJUHHUSA-N 311.382 -0.102 30 20 DBED COc1cc(C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N)nn1C 1058654599 BNPPMWXALQTUFI-JTQLQIEISA-N 323.353 -0.861 30 20 DBED C=CCCC(=O)N1CC[C@H](CCNC(=O)[C@H]2CNC(=O)N2)C1 1059315399 GZXDKZVCCYUFFB-NWDGAFQWSA-N 308.382 -0.011 30 20 DBED C#Cc1cncc(C(=O)N2CC[C@@H](CCNC(=O)C(N)=O)C2)c1 1060374039 PYYWPDCAKBQLRM-GFCCVEGCSA-N 314.345 -0.483 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCOC[C@@H]1CNC(=O)COCC=C 1061423282 GZSXJSLMJUUZPP-KBPBESRZSA-N 324.377 -0.429 30 20 DBED C#CCO[C@H](C)C(=O)NC1(CNC(=O)CC(=O)NCC)CCC1 1062831188 WSIMYTQKIWTEMI-GFCCVEGCSA-N 323.393 -0.294 30 20 DBED Cc1c(C(=O)N[C@H]2[C@H]3C[C@H]2N(c2cncc(C#N)n2)C3)nnn1C 1064229115 DQFHEURINZMCFA-PXWWUCIGSA-N 324.348 -0.208 30 20 DBED C=CCO[C@H](C)C(=O)NC[C@H]1CN(C(=O)COC)CCO1 1064756339 IUOOPYSXCPZAEO-NEPJUHHUSA-N 300.355 -0.433 30 20 DBED C#CCOCCC(=O)NC[C@H]1CN(C(=O)[C@H](C)OC)CCO1 1064920918 DWXJGOLRIJQXDI-STQMWFEESA-N 312.366 -0.595 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)C2(C(N)=O)CC2)CCO1 1065545774 OWLZSNDENSRCAW-NSHDSACASA-N 309.366 -0.438 30 20 DBED C=CCCCC(=O)N1CCO[C@@H](CNC(=O)Cn2nccn2)C1 1065546043 RSKGPDNYYNWFTO-ZDUSSCGKSA-N 321.381 -0.022 30 20 DBED N#Cc1nccnc1NCC[C@@H]1CCN(C(=O)CC(N)=O)C1 1066290233 OWACXGNEVKPFJJ-SNVBAGLBSA-N 302.338 -0.126 30 20 DBED C#CCOCCC(=O)N[C@@H]1COC2(C1)CN(C(=O)[C@H](C)OC)C2 1068867795 DDRWQKKPYGTENY-STQMWFEESA-N 324.377 -0.453 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2coc(C)n2)C[C@@H]1n1ccnn1 1070181179 ZVTWWCUDBZCCCN-YPMHNXCESA-N 300.322 -0.137 30 20 DBED C[C@H]1CCCN1CC(=O)N1CCC(=O)NCCN(CC#N)CC1 1070998455 CRIOWZLMYULJID-AWEZNQCLSA-N 321.425 -0.355 30 20 DBED C#CCN1CC[C@]2(C1)CN(C(=O)c1ncn(C)n1)C[C@@H](C)O2 1071165137 XYOBIXAHDHSMGP-DOMZBBRYSA-N 303.366 -0.246 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H](NC(=O)CNC(=O)C2CC2)C1 1071226685 JSWKJGBFOCVKMK-CMPLNLGQSA-N 306.366 -0.221 30 20 DBED C#CCCN1CCCO[C@@H](CNC(=O)[C@H]2CC(=O)N(C)C2)C1 1073630221 PUILCKQIQGNQKU-KBPBESRZSA-N 307.394 -0.305 30 20 DBED N#CCN1CCCO[C@H](CNC(=O)[C@H]2CCCCC(=O)N2)C1 1073763040 UEVRLGJJMMJFRT-CHWSQXEVSA-N 308.382 -0.224 30 20 DBED CO[C@H](C)C(=O)NCC1(O)CCN(C(=O)C#CC2CC2)CC1 1074580900 BAIVVDAWIUZOJC-GFCCVEGCSA-N 308.378 -0.096 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CCN(C(=O)c2cnn[nH]2)CC1 1074637571 DHHNGAYWONDAPW-VIFPVBQESA-N 306.326 -0.952 30 20 DBED C[C@H]1C[C@@H](NC(=O)C#CC2CC2)CCN1C(=O)Cn1cnnn1 1074980289 WQEVJUCYENBIGC-AAEUAGOBSA-N 316.365 -0.418 30 20 DBED CC(C)C#CC(=O)N1CC[C@@H](NC(=O)c2nnn(C)n2)C[C@H]1C 1075109712 KMGJMMYGRNXNOC-VXGBXAGGSA-N 318.381 -0.021 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H](C)CCNC(=O)CNC(=O)OC 1075763872 VDCYBWONZHJKLS-WDEREUQCSA-N 313.354 -0.608 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)c2cn(CCOC)nc2C)C1 1076991077 VIDBKVNCYZDVBL-ZIAGYGMSSA-N 308.382 -0.201 30 20 DBED C=CCO[C@H](C)C(=O)NCC[C@H](C)NC(=O)c1nnn(C)n1 1077069055 GFEJKGPRQNQVNT-VHSXEESVSA-N 310.358 -0.574 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)c2noc3c2COCC3)C1 1078206726 FBWBEDBMXNJCGD-VXGBXAGGSA-N 305.334 -0.455 30 20 DBED C#Cc1cncc(C(=O)NCC[C@H](C)NC(=O)CC(=O)NC)c1 1078288683 LWINLQBJOKPLOY-NSHDSACASA-N 316.361 -0.176 30 20 DBED C#CCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)[C@@H]2CCNC2=O)C1 1079775073 RVAUUJAAYBYERA-WCQYABFASA-N 321.377 -0.780 30 20 DBED CC(F)(F)C(=O)NC[C@@H]1CN(C(=O)CSCC#N)C[C@@H]1O 1081183950 MTBLZCDMNCKEGR-BDAKNGLRSA-N 321.349 -0.166 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)Cc2cc[nH]n2)C[C@@H]1O 1081442919 ZUVQHJNITUFOFY-JSGCOSHPSA-N 318.377 -0.309 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)CC2(O)CCC2)C[C@H]1O 1081463346 LWKQETKJXDCZCD-ZIAGYGMSSA-N 322.405 -0.114 30 20 DBED Cn1nccc1C(=O)N1C[C@H](CNC(=O)C#CC2CC2)[C@@H](O)C1 1081471452 NQSBNNWVOXLEBJ-JSGCOSHPSA-N 316.361 -0.617 30 20 DBED C=C(C)CCC(=O)NC[C@H]1CN(C(=O)c2cnn(C)n2)C[C@@H]1O 1081530987 MRSSOZDDECNANB-AAEUAGOBSA-N 321.381 -0.280 30 20 DBED Cc1nc[nH]c1C(=O)NC[C@H]1CN(C(=O)C#CC(C)C)C[C@H]1O 1081591670 BNBFODXNORENKP-QWHCGFSZSA-N 318.377 -0.073 30 20 DBED C=CC(C)(C)C(=O)NC[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1O 1081641941 ABRMDXLLJHLEAY-ZJUUUORDSA-N 307.354 -0.434 30 20 DBED C#CCCN1C[C@@H](NC(=O)c2ccn(C)c(=O)c2)[C@H](OC)C1 1081861555 NVIUCSSSBXQPCK-ZIAGYGMSSA-N 303.362 -0.162 30 20 DBED CCc1cc(CC(=O)N[C@@H]2CN(CC#N)C[C@H]2OC)n(C)n1 1081970723 XSCOKMBUFCHWMH-ZIAGYGMSSA-N 305.382 -0.136 30 20 DBED CC(C)(C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CN(CC#N)C[C@@H]1O 1083482922 ACIMBLRGXHJMJG-UPJWGTAASA-N 322.409 -0.292 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCc3nnc(O)n3C2)C1 1083581509 YVVKLCBFWPYBJC-UTUOFQBUSA-N 321.381 -0.717 30 20 DBED C#CCCN1CC[C@@H]2CCN(C(=O)[C@@H]3CN(C)C(=O)N3)C[C@@H]21 1085006745 UZHYLCHWRZKZMM-RDBSUJKOSA-N 304.394 -0.044 30 20 DBED N#CCN[C@H]1C[C@@H](CNC(=O)[C@@]23C[C@H]4C[C@H](C(=O)N2)[C@H]3C4)C1 1086130276 MGYJVOUQNLQLIR-OFEHQHDKSA-N 302.378 -0.091 30 20 DBED C[C@H](C[C@@H](C)NC(=O)Cn1ncnn1)N=c1cc[nH]c(C#N)n1 1089401803 ZKGLDFSPAYPPEG-NXEZZACHSA-N 315.341 -0.848 30 20 DBED Cn1cc(C(=O)N[C@H]2CN(CC#N)CC3(CCOCC3)C2)nn1 1089935298 UPCWDYQXHTWCIA-GFCCVEGCSA-N 318.381 -0.060 30 20 DBED COCCOCC(=O)N1CC[C@H](N=c2cc[nH]c(C#N)n2)[C@@H]1C 1090207203 ZEMIZTKAKKOMFP-RYUDHWBXSA-N 319.365 -0.166 30 20 DBED N#CCN1CC[C@@H](NC(=O)Cn2ccc(C(F)F)n2)[C@@H](O)C1 1090314965 GPYNWVWWPINIDE-KOLCDFICSA-N 313.308 -0.104 30 20 DBED COCc1nc(C)cc(N2C[C@@H](O)[C@H](NC(=O)[C@@H](C)C#N)C2)n1 1090391740 LGCUAOOWMDPMPB-MVWJERBFSA-N 319.365 -0.243 30 20 DBED C=CCN1CC[C@H](NC(=O)c2cc(=O)c(OC)c[nH]2)[C@@H](O)C1 1090432157 ISOJDAWBEGEZKM-GWCFXTLKSA-N 307.350 -0.266 30 20 DBED C=CCN1CC[C@@H](NC(=O)c2cc(C)c(C(N)=O)cn2)[C@H](O)C1 1090574710 WIODEHXEXXUFHH-TZMCWYRMSA-N 318.377 -0.160 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2cnn(CCOC)c2)[C@@H](O)C1 1090767142 HWHSJBPZPVYDMX-CABCVRRESA-N 320.393 -0.282 30 20 DBED CCC(=O)NCC(=O)N1C[C@@H](N=c2cc[nH]c(C#N)n2)[C@H](C)C1 1090961360 ZKHRJWBLQQPUCF-GHMZBOCLSA-N 316.365 -0.445 30 20 DBED C=C(C)CNC1CC(CNC(=O)c2cn(CC(N)=O)nn2)C1 1091378655 RRFQKEQXDWPMNZ-UHFFFAOYSA-N 306.370 -0.563 30 20 DBED CC(=O)N[C@@H](C)C(=O)N[C@H]1CCN(c2cncc(C#N)n2)[C@@H]1C 1091922559 JHXCIPZIDIIWIC-CWSCBRNRSA-N 316.365 -0.044 30 20 DBED N#Cc1nc(=NCCCNC(=O)COC2CCOCC2)cc[nH]1 1094589780 CJPCRJHLQQBPLD-UHFFFAOYSA-N 319.365 -0.116 30 20 DBED CN(CCCNC(=O)c1nccnc1N)c1cnc(C#N)cn1 1095516234 ONQUHBCMCGWOCQ-UHFFFAOYSA-N 312.337 -0.023 30 20 DBED CN(CCCNC(=O)[C@H]1CCC(=O)N1C)c1cnc(C#N)cn1 1095706731 DVKGIHVSXVILIE-GFCCVEGCSA-N 316.365 -0.088 30 20 DBED C[C@H](CNC(=O)[C@@H]1CN(C)CCO1)Nc1cncc(C#N)n1 1097769018 XTQJHTRPENCETD-PWSUYJOCSA-N 304.354 -0.405 30 20 DBED C#CCN(CCO)C1CCN(C(=O)Cc2cncn2C)CC1 1098533045 PYMCBARWNUEYKY-UHFFFAOYSA-N 304.394 -0.119 30 20 DBED N#CCN[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)C[C@H]1C(F)(F)F 1099334320 NBYHGKBLQJZFND-HRDYMLBCSA-N 304.272 -0.233 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)C2=COCCO2)[C@@H](O)C1 1099642807 WTEGKAAACVPVGP-OLZOCXBDSA-N 312.366 -0.371 30 20 DBED CC#CCN1CC[C@H](NC(=O)CCCn2ccnn2)[C@H](O)C1 1099868736 DOQVKCOLVJKVJR-UONOGXRCSA-N 305.382 -0.367 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1CCN(Cc2nnnn2C)C[C@@H]1O 1099945027 TUDPEHZQAWGZRO-MNOVXSKESA-N 308.386 -0.526 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)Cc2cncn2C)[C@H](O)C1 1100073497 CXGZCPVKMJOMCS-LSDHHAIUSA-N 322.409 -0.283 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)c2c[nH]cc2C)[C@H](O)C1 1100108116 QPTIWYOVJKPQOU-ZIAGYGMSSA-N 318.377 -0.762 30 20 DBED CN(CCNC(=O)C[C@@H]1CCNC1=O)c1nccnc1C#N 1100193486 IASINNJWVCOWKL-JTQLQIEISA-N 302.338 -0.573 30 20 DBED CN(CCNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccnc(C#N)n1 1100227191 KNFCHBLOMJFKJF-SNVBAGLBSA-N 323.378 -0.665 30 20 DBED C=CCCNC1CC(CNC(=O)CNC(=O)CNC(C)=O)C1 1100455023 YEEDISWGSUVNCC-UHFFFAOYSA-N 310.398 -0.701 30 20 DBED CC(=O)NCC(=O)NC[C@H]1CCCN1c1nccnc1C#N 1100769957 GCYSHDRLXOJRBY-LLVKDONJSA-N 302.338 -0.431 30 20 DBED CN(C)C(=O)CC(=O)NC[C@H]1CCCN1c1cnc(C#N)cn1 1100913284 FDSXXBLZUWKOQP-GFCCVEGCSA-N 316.365 -0.088 30 20 DBED N#Cc1nccc(N2CC[C@H](CNC(=O)C3(C(N)=O)CC3)C2)n1 1101048731 OKELNUGFJWXOPZ-SNVBAGLBSA-N 314.349 -0.444 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1CNC(=O)CSCC#N 1101742335 XDTNRUFBMZFTHK-VXGBXAGGSA-N 323.422 -0.433 30 20 DBED CN(CCNc1ccc(C#N)nn1)C(=O)[C@@H]1CC[C@H]1C(N)=O 1101892757 HCWPHIDYADOTPH-GHMZBOCLSA-N 302.338 -0.270 30 20 DBED C=CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)[C@H]2CCNC2=O)C1 1102222843 IEIQHDBRAKDGIN-UPJWGTAASA-N 322.409 -0.891 30 20 DBED N#Cc1ccc(N2CC[C@H](CCNC(=O)CNC(N)=O)C2)cn1 1102282712 DYSHZIQNLLZDIZ-NSHDSACASA-N 316.365 -0.046 30 20 DBED COC[C@@H](OC)C(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(C#N)n1 1102571346 RGRYLDJASOYWJO-RWMBFGLXSA-N 317.349 -0.201 30 20 DBED CN(C(=O)CNC(N)=O)[C@@H]1CCN(c2ncccc2C#N)C1 1102668756 SYHBKKFQHMUXRB-LLVKDONJSA-N 302.338 -0.341 30 20 DBED CNC(=O)NCCC(=O)NC[C@@H](C)CN=c1cc[nH]c(C#N)n1 1103928672 CDYMWBXNWABBCD-JTQLQIEISA-N 319.369 -0.747 30 20 DBED C[C@H](CN=c1cc[nH]cc1C#N)CNC(=O)CCS(C)(=O)=O 1104255704 GURTVPRNYGRVBM-LLVKDONJSA-N 324.406 -0.026 30 20 DBED C[C@@H](O)CNCc1cn(C2CN(C(=O)CSCC#N)C2)nn1 1105169157 BPOJJVNQJPRJHB-SNVBAGLBSA-N 324.410 -0.611 30 20 DBED CN(CCN(C)c1nccnc1C#N)C(=O)CNC(=O)C1CC1 1105334023 VJCHUOPMTHCZGG-UHFFFAOYSA-N 316.365 -0.231 30 20 DBED CN1CC[C@@H](C(=O)N(C)CCN(C)c2nccnc2C#N)C1=O 1105525418 VBBGMLZSOPZRFD-LLVKDONJSA-N 316.365 -0.279 30 20 DBED CN(CCN(C)c1nccnc1C#N)C(=O)[C@H]1CCNC1=O 1105535763 VZLZXDQUHZLELE-JTQLQIEISA-N 302.338 -0.621 30 20 DBED CN1C[C@@H](C(=O)N(C)CCN(C)c2ccc(C#N)cn2)NC1=O 1105536266 UIPCTRKANKJSGS-LBPRGKRZSA-N 316.365 -0.129 30 20 DBED CO[C@H](C(=O)NC[C@@H](O)CN=c1cc(C)[nH]cc1C#N)C1CC1 1105833590 OGRKFBDZMOPCOQ-ZFWWWQNUSA-N 318.377 -0.002 30 20 DBED Cc1ccc(C#N)c(NC[C@@H](O)CNC(=O)[C@H]2COC(=O)N2)n1 1105835054 FIBASGWXPAXNEK-GHMZBOCLSA-N 319.321 -0.741 30 20 DBED C[C@@H]1CN(C(=O)C[C@@H]2CCCO2)C[C@H]1CNCC(=O)NCC#N 1105859373 YSRONWHCAJVSTE-MCIONIFRSA-N 322.409 -0.121 30 20 DBED N#Cc1cccnc1NC[C@@H](O)CNC(=O)C1(C(N)=O)CC1 1106098666 YGEBXEINQXPRLO-SNVBAGLBSA-N 303.322 -0.892 30 20 DBED CN(C)C(=O)CC(=O)NC[C@@H](O)CNc1ccc(C#N)cn1 1106133929 PHOJVDUSXZFQRQ-NSHDSACASA-N 305.338 -0.679 30 20 DBED C[C@H](CCNc1ncccc1C#N)NC(=O)Cn1cnnn1 1106193334 SFGKRLNRYWNCFM-SNVBAGLBSA-N 300.326 -0.053 30 20 DBED CCc1nc(C#N)cc(NC/C=C\CNC(=O)CC(N)=O)n1 1107087428 CLPPYSPXMHPYDW-ARJAWSKDSA-N 302.338 -0.130 30 20 DBED C#CCCN1CCO[C@@](C)(CNC(=O)[C@H]2CCN(C)C2=O)C1 1108147039 XMOIZYLBYRGWTL-CJNGLKHVSA-N 307.394 -0.305 30 20 DBED C#CCCN1CCO[C@@](C)(CNC(=O)CCN2CCOCC2)C1 1108280742 YESPFXKLGKKHTA-KRWDZBQOSA-N 323.437 -0.061 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)C2(C(=O)NC)CCC2)C1 1108356652 KLFCVYLZIFSQRU-HNNXBMFYSA-N 307.394 -0.257 30 20 DBED C[C@@H](CNc1ccc(C#N)nn1)NC(=O)CC1CS(=O)(=O)C1 1108596582 PMUNUUFATMQALV-VIFPVBQESA-N 323.378 -0.300 30 20 DBED C[C@@H](CN(C)c1cncc(C#N)n1)NC(=O)[C@@H]1COC(=O)N1 1108926700 IUKMWGLKOWLSFJ-WPRPVWTQSA-N 304.310 -0.602 30 20 DBED N#Cc1nccc(NC2(CNC(=O)[C@@H]3CCC(=O)N3)CC2)n1 1110189024 AWKVTKXLDBJKLS-VIFPVBQESA-N 300.322 -0.312 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCCOC 1110465917 ZICNWZMWOOQEMF-MCIONIFRSA-N 307.394 -0.116 30 20 DBED CC(C)(O)CC(=O)NC[C@@]1(O)CCN(c2ccnc(C#N)n2)C1 1111066086 MJFQCZIJSMMAHO-HNNXBMFYSA-N 319.365 -0.433 30 20 DBED COCC(=O)NCCN1CCC(Nc2nccnc2C#N)CC1 1111311945 FQZGVNSGQILAAE-UHFFFAOYSA-N 318.381 -0.013 30 20 DBED COCC(=O)NCCN1CCC(Nc2ccc(C#N)nn2)CC1 1111312175 RLGCHSPHBLCQEM-UHFFFAOYSA-N 318.381 -0.013 30 20 DBED Cn1cc(C(=O)N(CCO)CCNc2nccnc2C#N)nn1 1111461202 ZPMXLSKCJNYALA-UHFFFAOYSA-N 316.325 -0.977 30 20 DBED N#Cc1nccnc1NCCN(CCO)C(=O)c1csnn1 1111532558 BDGQOCHBIMBEKZ-UHFFFAOYSA-N 319.350 -0.254 30 20 DBED N#Cc1ccc(NCCN(CCO)C(=O)C(N)=O)c([N+](=O)[O-])c1 1111557485 RPCQCDFZLXNGGU-UHFFFAOYSA-N 321.293 -0.815 30 20 DBED COc1ccnc(N2CCOC[C@H]2CNC(=O)[C@H](C)C#N)n1 1111661890 YIFAKCNJVIINAZ-GHMZBOCLSA-N 305.338 -0.034 30 20 DBED CNC(=O)CC(=O)NC[C@H]1COCCN1c1ccncc1C#N 1111676621 XWIMMWJTYATHLE-LBPRGKRZSA-N 317.349 -0.589 30 20 DBED C#CCNC(=O)CC(=O)N1CCN(CCOCC(C)C)CC1 1112777785 MQNHOOJFLVTDFB-UHFFFAOYSA-N 309.410 -0.057 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)Cc2cn(C)nc2C)CC1 1112970057 QJUUZQHERWCWIK-UHFFFAOYSA-N 319.409 -0.283 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)c2ccc(C#C)nc2)CC1 1113559165 HGLBDSLKIVURST-AWEZNQCLSA-N 324.384 -0.041 30 20 DBED C[C@H](CNC(=O)c1ncn(C)n1)N(C)c1cnc(C#N)cn1 1113582388 GLBFDGPDTKVRQS-SECBINFHSA-N 300.326 -0.269 30 20 DBED Cc1cc(N(C)[C@@H](C)CNC(=O)[C@@H]2CNC(=O)N2)c(C#N)cn1 1113869718 RIHGQRWHATWQKA-JQWIXIFHSA-N 316.365 -0.116 30 20 DBED COCCc1noc(CN2C[C@H]3[C@H](NC(=O)[C@H](C)C#N)[C@H]3C2)n1 1114063960 KDRLFXAGVGTSOT-PUHVVEEASA-N 319.365 -0.035 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3cc(C#N)c[nH]3)[C@H]2C1 1114103143 GKZGTSMXBFNVEW-JYAVWHMHSA-N 313.361 -0.151 30 20 DBED CC(C)C#CC(=O)NC1[C@H]2CN(CC(=O)N3CCOCC3)C[C@H]12 1114237797 SPGXMRXWBBOXFJ-KBPBESRZSA-N 319.405 -0.449 30 20 DBED C#CCO[C@H](C)C(=O)NC1[C@@H]2CN(CC(=O)N3CCC3)C[C@@H]12 1114270668 JBDRIQDINMJWRM-JHJVBQTASA-N 305.378 -0.697 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H]1[C@@H]2CN(CC(=O)NC(C)(C)C)C[C@@H]21 1114271183 QREHEDFXHDGXFY-CXTNEJHOSA-N 321.421 -0.014 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)C(C)(C)N(C)CC)[C@H]2C1 1114488364 LXJIMNXVYWXKCO-STQMWFEESA-N 320.437 -0.488 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)c3ncccn3)[C@H]2C1 1115005247 IEPXXMPBEZQQIO-WUHRBBMRSA-N 313.361 -0.726 30 20 DBED C=C(C)CN1C[C@@H]2C(NC(=O)COCc3ncnn3C)[C@H]2C1 1115045882 BFZUUFXRZZLPNZ-RYUDHWBXSA-N 305.382 -0.046 30 20 DBED C[C@H](CCCNc1cncc(C#N)n1)NC(=O)c1nnn(C)n1 1115053365 ZPCBORKMSUQUMM-SECBINFHSA-N 315.341 -0.118 30 20 DBED CCn1cccc1C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1115248057 QGRPJHWOMWPKIG-JYAVWHMHSA-N 315.377 -0.192 30 20 DBED C[C@@H](CN(C)C(=O)CCn1cncn1)N=c1cc[nH]c(C#N)n1 1115596988 CRMSGNXSZHZYEQ-NSHDSACASA-N 314.353 -0.289 30 20 DBED C[C@H](CN(C)C(=O)[C@@H]1COCCN1C)N=c1cc[nH]cc1C#N 1115682531 QSWMDQSQZKVBGI-DOMZBBRYSA-N 317.393 -0.035 30 20 DBED C#CCNC1(CNC(=O)[C@H](C)NS(C)(=O)=O)CCCCC1 1115748720 DZKBYADZBHARCV-LBPRGKRZSA-N 315.439 -0.034 30 20 DBED COCCn1cc(NC(=O)C(=O)NCC2(C#N)CC2)ccc1=O 1116884560 QOJHCAFOOYISNL-UHFFFAOYSA-N 318.333 -0.147 30 20 DBED C#CCn1ccc(CN(CC)C(=O)C(=O)NCc2cc[nH]n2)n1 1116951525 ABNIBEIVINWCTH-UHFFFAOYSA-N 314.349 -0.096 30 20 DBED COC(=O)c1cnn(C)c1NC(=O)C(=O)N1CCC(C#N)CC1 1117748796 MAZJYBPUDRWRAG-UHFFFAOYSA-N 319.321 -0.093 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CC[C@H](C(=O)OCC)C1)[C@H]1CCCO1 1119781466 UYVJKCZSRHQISY-RWMBFGLXSA-N 322.361 -0.305 30 20 DBED COCC(=O)N1CCC[C@H]([C@@H]2CCCN2CC(=O)NCC#N)C1 1120279095 DUSZIWNLUMDHFA-KBPBESRZSA-N 322.409 -0.024 30 20 DBED C[C@H](C(=O)NC[C@H](CO)N=c1cc[nH]cc1C#N)n1cccn1 1121211860 ABARNWRNINITLA-DGCLKSJQSA-N 314.349 -0.278 30 20 DBED Cc1nc(C(=O)NC[C@H](CO)Nc2cncc(C#N)n2)co1 1121372612 XNBDBKMRPHEGBB-SNVBAGLBSA-N 302.294 -0.153 30 20 DBED N#Cc1c[nH]ccc1=N[C@H](CO)CNC(=O)C1CCC(O)CC1 1121498326 VYKJTIXIUVLSPX-QRMWWUJWSA-N 318.377 -0.185 30 20 DBED Cn1ccc(C(=O)NC[C@@H](CO)Nc2cnc(C#N)cn2)n1 1121583229 ZHHKCOHQARMDAW-JTQLQIEISA-N 301.310 -0.715 30 20 DBED CC(=O)NCC(=O)N1C[C@@H](N=c2cc[nH]cc2C#N)C[C@H]1C 1123122550 RZIMLJLLSZVKDN-MFKMUULPSA-N 301.350 -0.087 30 20 DBED CNC(=O)NCC(=O)N1C[C@@H](Nc2cncc(C#N)n2)C[C@@H]1C 1123318510 HCEGNSWNQXPBQG-UWVGGRQHSA-N 317.353 -0.321 30 20 DBED CC(=O)NCC(=O)N(C)C[C@@H](O)CNc1ncccc1C#N 1124086066 HKTFIXBLPRJDFQ-LBPRGKRZSA-N 305.338 -0.679 30 20 DBED CNC(=O)NCC(=O)N(C)C[C@H](O)CNc1ccc(C#N)cn1 1124845350 LWLZDCBLFKTOJV-LLVKDONJSA-N 320.353 -0.887 30 20 DBED C[C@@H](C#N)C(=O)NCCNCc1nnnn1CC1CCOCC1 1124896822 PXLFWFKYAUNIRC-NSHDSACASA-N 321.385 -0.535 30 20 DBED COCCN(CCNC(=O)CC(N)=O)c1ccc(C#N)nc1 1126255027 SCOKVJWHXYTASC-UHFFFAOYSA-N 305.338 -0.602 30 20 DBED C=CCNC(=O)CNCCNC(=O)C[C@H](C)N1CCCCC1=O 1127163673 ZQBGUZZMSFCNCJ-ZDUSSCGKSA-N 324.425 -0.215 30 20 DBED C#CCN1CCn2ncc(CNC(=O)CCCC(=O)NC)c2C1 1128321943 QLYBPORSNRZHRI-UHFFFAOYSA-N 317.393 -0.136 30 20 DBED CCCCOCC(=O)N1C[C@H](n2ccnn2)[C@H](NCC#N)C1 1129707901 BPXVJKBJSHREDT-OLZOCXBDSA-N 306.370 -0.040 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CCCN1CC(C)C 1130708664 CVQHXAYEENJYPY-CABCVRRESA-N 322.453 -0.050 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)CCC(=O)NCC)C[C@@]3(C1)O2 1131197068 FHXAUYVUKKTODY-JJRVBVJISA-N 319.405 -0.162 30 20 DBED CNC(=O)NCCC(=O)N1C[C@@H]2C[C@@H]3CN(CC#N)C[C@]2(C1)O3 1131226887 AFZXZUZNWBDSFJ-YWPYICTPSA-N 321.381 -0.869 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1C[C@H]1c1cncn1C 1134045436 GDSOZTHLVOWNNZ-JHJVBQTASA-N 319.409 -0.080 30 20 DBED C=C(C)CN[C@@H](C)C[C@@H](C)NC(=O)Cn1cnc(C(N)=O)n1 1134401782 WNEKYCLMWDNBAP-WDEREUQCSA-N 308.386 -0.174 30 20 DBED C#CCNC(=O)CNCCNC(=O)CCCOCCOCC 1147755606 YFBFXJWWOUUBBW-UHFFFAOYSA-N 313.398 -0.725 30 20 DBED COCC#CCN1CCCO[C@H](CNC(=O)c2cncnc2)C1 1149573377 JVYQXRDHHBUHTQ-OAHLLOKOSA-N 318.377 -0.053 30 20 DBED Cn1ccnc1COCC(=O)NC[C@@H]1CN(CC#N)CCCO1 1149888899 LXOSBOPNFPFELI-CYBMUJFWSA-N 321.381 -0.333 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)CCCn2cncn2)C1 1150546331 CTMGUJIZSDZZBV-CQSZACIVSA-N 305.382 -0.101 30 20 DBED COCc1ccc(C(=O)NCCNCC(=O)NCC#N)cc1 1150636302 VZJGDVVHDGRACL-UHFFFAOYSA-N 304.350 -0.208 30 20 DBED CC#CCN1CCCO[C@@H](CNC(=O)C[C@H]2CC(=O)NC2=O)C1 1150830161 CWHAVJSNGVSQTA-STQMWFEESA-N 321.377 -0.730 30 20 DBED C=CCOCC(=O)NC[C@@H](C)N(CC)Cc1nc(=O)n(C)[nH]1 1152370720 OEAQHZBOHAULNS-LLVKDONJSA-N 311.386 -0.362 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@H](C)N(CC)Cc1nnn(C)n1 1153012318 HCBWALNEHIHMME-RISCZKNCSA-N 310.402 -0.136 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)CCC(=O)NCC 1155684321 QSIBSUAXIANKSE-LBPRGKRZSA-N 310.398 -0.864 30 20 DBED COC[C@H](C)OC[C@@H](O)CNCCCNC(=O)C#CC1CC1 1157682411 FTXZQUWHGYEMIM-ZFWWWQNUSA-N 312.410 -0.092 30 20 DBED C#CCNC(=O)CN1CC=C(CCNC(=O)COCC)CC1 1159144074 SYJUBCVJIYAWLR-UHFFFAOYSA-N 307.394 -0.089 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)c1c(C)ncn1C 1160452537 OQZDEVWNSVRROX-LBPRGKRZSA-N 305.382 -0.424 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@@H](OC)[C@@H]1CCOC1 1163359562 VQCIRVYCWIRTCF-OCCSQVGLSA-N 313.398 -0.564 30 20 DBED C=CCNC(=O)CNCCCNC(=O)COCCCOC 1170540391 GUJBEROEVKQCRG-UHFFFAOYSA-N 301.387 -0.562 30 20 DBED C[C@@H](CCCCNCC(=O)NCC#N)NC(=O)c1ccnnc1 1175433840 NMZSOQHNWKPQML-LBPRGKRZSA-N 318.381 -0.005 30 20 DBED N#CCNC(=O)CNCCCNC(=O)CCCN1CCCCC1 1176318112 KGNDRXPDGCLCBE-UHFFFAOYSA-N 323.441 -0.012 30 20 DBED N#CCN1CCO[C@H]2CCN(C(=O)CNC(=O)C3CCC3)C[C@@H]21 1177158572 YLWOOPMPBWIJTG-KBPBESRZSA-N 320.393 -0.272 30 20 DBED C#CCCNC[C@H]1CCN(C(=O)Cn2c(O)nnc2O)C[C@@H]1C 1185576306 ZVWUNHRMPLVCKH-NWDGAFQWSA-N 321.381 -0.213 30 20 DBED C#CCOCCC(=O)N1CC[C@H]2CN(Cc3cnn(C)n3)C[C@H]21 1187874537 WHUJYJDABJSEAU-DZGCQCFKSA-N 317.393 -0.112 30 20 DBED CCn1cc(C(=O)N2CC[C@H](N(C)CC(=O)NCC#N)C2)cn1 1189419972 STDSEUSCMWQIMP-ZDUSSCGKSA-N 318.381 -0.311 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 1189688123 VYYCRERIQREEIH-CYBMUJFWSA-N 313.361 -0.218 30 20 DBED CCN(CCC#N)C(=O)CN1C[C@@H](O)[C@H](NC(=O)CC2CC2)C1 1190626549 IQRDRHWLBVYFEA-ZIAGYGMSSA-N 322.409 -0.290 30 20 DBED C[C@H](NC(=O)C1CCCC1)C(=O)N[C@@H]1CN(CC#N)C[C@H]1O 1193166984 RAXIOYGOXONBNE-CYZMBNFOSA-N 308.382 -0.634 30 20 DBED COCC#CCN(C)[C@H]1CCN(C(=O)c2ccc(=O)n(C)n2)C1 1193863610 BOBNJMVUVFIHFE-ZDUSSCGKSA-N 318.377 -0.424 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)COCc2nccn2C)C1 1193986792 HKINGVCCPLXZHK-CHWSQXEVSA-N 308.382 -0.326 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)[C@@H](C)CCOC)C1 1194134117 GPPHFKOTUKEIIS-UONOGXRCSA-N 309.410 -0.059 30 20 DBED C#CCNC(=O)CC(=O)N1CCCN(C[C@H]2CCOC2)CC1 1195588630 QABIGSXACRJBSS-CQSZACIVSA-N 307.394 -0.303 30 20 DBED Cc1n[nH]cc1C(=O)N1CCCN(CC(=O)NCC#N)CC1 1196698071 ROBCUNVFEMZTRY-UHFFFAOYSA-N 304.354 -0.494 30 20 DBED C=CCOCC(=O)N1CCCO[C@@H](CNCCn2cncn2)C1 1200116052 SCBZWLKSLOLXRK-AWEZNQCLSA-N 323.397 -0.312 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCC(NCCOCCO)CC1 1200334730 SNBHDSFIIBAEKO-OAHLLOKOSA-N 300.399 -0.097 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)[C@H](F)CC)CCCO1 1201147588 OLVSEJHLLLXNNC-CHWSQXEVSA-N 313.373 -0.309 30 20 DBED N#CCNC[C@@H]1CN(C(=O)c2cccc(C(N)=O)n2)CCCO1 1202182289 BAWVLYGRRXBPLX-LLVKDONJSA-N 317.349 -0.475 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)c2ccnn2C)CC1 1204685890 GIIATJKKKLSLNV-UHFFFAOYSA-N 317.393 -0.389 30 20 DBED C=C(C)CNCC1CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)CC1 1206508144 YJIWGRMRYGIJFS-AWEZNQCLSA-N 324.425 -0.229 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC[C@@H](NCC(=O)NCC=C)C1 1208014659 SAQGURBYMZBXPV-UONOGXRCSA-N 307.394 -0.093 30 20 DBED COCC#CCN1C[C@@H](NC(=O)[C@]2(C)CNC(=O)C2)[C@H](C)C1 1208054380 AOMYBHJZYGAQBL-IOASZLSFSA-N 307.394 -0.401 30 20 DBED COCC#CCN1C[C@@H](NC(=O)CCc2cnn(C)n2)[C@H](C)C1 1208658471 VXVJTIOWMKKDPC-UKRRQHHQSA-N 319.409 -0.166 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCCN(C(=O)Cc2cnoc2)C1 1209212268 AAHZZVWBYJMEIS-OCCSQVGLSA-N 318.377 -0.064 30 20 DBED C=CCN[C@@H]1CCCN(C(=O)[C@H](CCC(N)=O)NC(C)=O)C1 1210155022 PYCZFEIAGGCGHV-OLZOCXBDSA-N 310.398 -0.477 30 20 DBED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)c1ccncc1 1211764557 JZVHCACSZSNHJF-CHWSQXEVSA-N 317.349 -0.850 30 20 DBED C#CCN1C[C@@H](NC(=O)COCc2ncc(C)o2)[C@H](OC)C1 1213149533 VMPBCWDRVWFJLL-CHWSQXEVSA-N 307.350 -0.052 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)c2n[nH]cc2C)C[C@H]1C 1214573472 CKSXPUYYUUUZPL-VXGBXAGGSA-N 303.366 -0.482 30 20 DBED CC(C)C#CC(=O)N1CCO[C@@H]2CN(CCOCCO)C[C@@H]21 1217839831 RRSSTBNEIAEYIC-LSDHHAIUSA-N 310.394 -0.434 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C[C@@H]2C=CCC2)C1 1219156052 VYYHTKBYRWMMHT-MCIONIFRSA-N 307.394 -0.194 30 20 DBED COc1coc(CN2C[C@H](O)[C@H](NC(=O)[C@H](C)C#N)C2)cc1=O 1219381223 LJZZLDHGEAMSEK-XWIASGKRSA-N 321.333 -0.531 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)CCNC(=O)c2ccncc2)C1 1219736601 XIBZEHUZSZXWMX-KGLIPLIRSA-N 318.377 -0.451 30 20 DBED N#CCNC(=O)CN1CC[C@@H]2CN(C(=O)CN3CCCC3)[C@@H]2C1 1222016349 DCOJTIKTYOKPQG-ZIAGYGMSSA-N 319.409 -0.745 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)Cc2ncc[nH]2)CC1 1224957340 GIZZMAIHLOOESR-UHFFFAOYSA-N 317.393 -0.470 30 20 DBED COC[C@@H](C)C(=O)NCC[C@@H]1CN(CC#N)CCS1(=O)=O 1230435724 ICIPLMPVXONDEZ-VXGBXAGGSA-N 317.411 -0.602 30 20 DBED C=CCCN1CC[C@H]1CN(C)C(=O)Cn1cnc(C(N)=O)n1 1234415382 STTPKJIRMMLCHC-NSHDSACASA-N 306.370 -0.514 30 20 DBED C#CCCCNC(=O)C(=O)N[C@H]1CCC[C@H](S(C)(=O)=O)C1 1261095675 SDJXSSFHJUIRRC-RYUDHWBXSA-N 314.407 -0.012 30 20 DBED C=CCN(C(=O)C(=O)NC[C@H]1COCCO1)[C@@H](C)COC 1261687581 PUCUQZQQXJTECG-RYUDHWBXSA-N 300.355 -0.433 30 20 DBED CNS(=O)(=O)N1CCC(C(=O)N(CC#N)C2CC2)CC1 1321833262 JUYGOZNJQJYMMH-UHFFFAOYSA-N 300.384 -0.323 30 20 DBED N#CCN1CCC(NC(=O)C(=O)NCCOCC(F)F)CC1 1323842885 NJWALRIDPZAMLY-UHFFFAOYSA-N 318.324 -0.512 30 20 DBED C#CCSCCNC(=O)C(=O)NCc1ccc(C(N)=O)o1 1324178367 VOKNJGJTIGWUME-UHFFFAOYSA-N 309.347 -0.523 30 20 DBED COCC[C@@H](NC(=O)C(=O)Nc1cccc(C)c1C#N)C(N)=O 1324382527 HXKARBPTTUGUDQ-GFCCVEGCSA-N 318.333 -0.188 30 20 DBED C[C@@](O)(CNC(=O)C(=O)Nc1cnn(CC#N)c1)C(F)(F)F 1324520912 PXKCHWUUPWGPCJ-SNVBAGLBSA-N 319.243 -0.225 30 20 DBED CC(C)(CCCO)CNC(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1326135358 OJTSVJNRGYHTSX-HNNXBMFYSA-N 311.382 -0.222 30 20 DBED C=CCN(C(=O)C(=O)N1C[C@H](O)C[C@@H](C(=O)OC)C1)C1CC1 1326263035 CRIIXHAXGAXXFP-ZYHUDNBSSA-N 310.350 -0.454 30 20 DBED CCC[C@]1(CO)CCN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)C1 1326547331 OGYHLLIBSBPZNL-HOTGVXAUSA-N 323.393 -0.125 30 20 DBED C#CC1CCN(C(=O)C(=O)N[C@H]2CCc3nnnn3CC2)CC1 1326923833 RGEITIKMZQEAPG-LBPRGKRZSA-N 316.365 -0.634 30 20 DBED C[C@H]1N(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)CCOC1(C)C 1327025064 RQHMSNMXQZLALZ-IAQYHMDHSA-N 309.366 -0.111 30 20 DBED C#C[C@H](NC(=O)C(=O)Nc1cc(C)n(CC(=O)NC)n1)C(C)C 1327028877 GJHCCLARYNHSHO-NSHDSACASA-N 319.365 -0.350 30 20 DBED COC[C@](C)(C#N)NC(=O)CCn1cnc2c(N)ncnc21 1328255183 DVPGUZSRIKHWQT-ZDUSSCGKSA-N 303.326 -0.157 30 20 DBED C=CCn1c([C@@H]2CNC(=O)C2)nnc1N1CC(=O)N(C)C[C@@H]1C 1338785291 GUBCRSLNSXMUPW-QWRGUYRKSA-N 318.381 -0.266 30 20 DBED Cc1nc2n(n1)C[C@H](NC(=O)C(=O)N1CC[C@@](F)(C#N)C1)CC2 1341738191 XMPHNFKXXMUERO-QMTHXVAHSA-N 320.328 -0.518 30 20 DBED C=CCn1c(N2CCNC(=O)C2)nnc1[C@]1(O)CCSC1 1341980984 HOXVZTKWEYANLN-ZDUSSCGKSA-N 309.395 -0.275 30 20 DBED C=CCN(C(=O)C(=O)N[C@H](C)C[S@](C)=O)[C@@H](C)COC 1347587149 NJGFNESRFAPQTG-NLQQUQSOSA-N 304.412 -0.081 30 20 DBED N#CC1(CNC(=O)N2CC[C@@H](S(N)(=O)=O)C2)CCOCC1 1365675243 HEHIAXXAZOHTEL-SNVBAGLBSA-N 316.383 -0.621 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNCC(=O)N(C)CC(F)(F)F 1392362661 HUGFZWKQZDKBQK-RKDXNWHRSA-N 324.303 -0.767 30 20 DBED C=C(Cl)CN1CC[C@@H]1CNC(=O)CN1CCCS1(=O)=O 1392827795 ANOANURZWIQZKC-LLVKDONJSA-N 321.830 -0.035 30 20 DBED C=C(Cl)CNC[C@H](O)CN(C)C(=O)CCn1cncn1 1394726339 HCCGHVVFJYZLKO-NSHDSACASA-N 301.778 -0.170 30 20 DBED CNC(=O)NC(=O)[C@@H](C)N[C@H]1C[C@H](CNC(=O)[C@H](C)C#N)C1 1397110420 LQKVQOHJPFLLJI-GWOFURMSSA-N 309.370 -0.525 30 20 DBED C[C@H](CNC(=O)c1cn(C)nn1)NC(=O)c1c[nH]c(C#N)c1 1397429976 MNIXNJMOJDDBKI-MRVPVSSYSA-N 301.310 -0.437 30 20 DBED C[C@@H](CNC(=O)c1ccc(C#N)[nH]1)NC(=O)c1cnc(O)n1C 1400272822 FFXFBEIBIOMGBH-QMMMGPOBSA-N 316.321 -0.126 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CCN(C(=O)c2cn(C)c(=O)n2C)C1 1408391696 OCKBTYOLUOBGHE-QWRGUYRKSA-N 319.365 -0.538 30 20 DBED N#Cc1cn(CCNC(=O)CCc2cnc[nH]2)c(=O)nc1O 1412375624 URPLGOJBMURIDR-UHFFFAOYSA-N 302.294 -0.707 30 20 DBED N#Cc1cccc([C@@H](O)CN2C[C@@H](C(N)=O)[C@@H](C(N)=O)C2)c1 1422056378 YFGCCMAVTKIQHJ-XQQFMLRXSA-N 302.334 -0.890 30 20 DBED CN(C[C@@H](O)CNCC(=O)N1CCC1)C(=O)c1cc(C#N)c[nH]1 1425987144 MFHJSQZQIAOUAT-LBPRGKRZSA-N 319.365 -0.859 30 20 DBED COCCN(CCNC(=O)[C@@H]1CCC(=O)NC1)C(=O)[C@@H](C)C#N 1428411390 MZQAZTTWNMEPPZ-NWDGAFQWSA-N 324.381 -0.737 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@@H]2CNC(=O)Cc2nc[nH]n2)[nH]1 1433817471 ALFYIAZOZWFAFK-SNVBAGLBSA-N 313.321 -0.422 30 20 DBED N#Cc1ccc(NCC(=O)N[C@@H](CO)CC2OCCO2)nc1 1434344951 YBWPAKOCROAKJM-LLVKDONJSA-N 306.322 -0.395 30 20 DBED C[C@H](NCC(C)(C)CN(C)C(=O)[C@H](C)C#N)C(=O)NC(N)=O 1440871709 PKMGGPMVXBJBCN-ZJUUUORDSA-N 311.386 -0.196 30 20 DBED CC(=O)NCC(=O)NCC1(O)CN(Cc2cccc(C#N)c2)C1 1446819739 RXAWKVBELLXKPR-UHFFFAOYSA-N 316.361 -0.643 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)C[C@H]2CCN(C)C2=O)C1 1454332801 WWROWDWRMKYXDA-USZNOCQGSA-N 306.366 -0.222 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1C[C@@H](NC(=O)c2cnc(O)n2C)C1 1489845907 LNKQGAXPCXYEMN-BBBLOLIVSA-N 305.338 -0.090 30 20 DBED CCN(CCNC(=O)[C@@H](C)C#N)C(=O)c1c[nH]c(C(N)=O)c1 1496937451 IUSPBKFMPVFGNI-VIFPVBQESA-N 305.338 -0.148 30 20 DBED C[C@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)[C@H]1COC(=O)N1 1502139234 QLKCEHJAAVQTHK-GMSGAONNSA-N 305.294 -0.771 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CCN(C[C@@H](O)Cn2cccn2)C1 1567890602 BLVMHJVZMJGROF-HUUCEWRRSA-N 302.378 -0.152 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1[C@@H]2CN(c3ccc(-c4nn[nH]n4)cn3)C[C@@H]21 1573586922 UNOXVRZXWRSTQX-GOONRYMUSA-N 324.348 -0.028 30 20 DBED C[C@H](CNC(=O)[C@H](C)C#N)CNc1cnc(-c2nn[nH]n2)cn1 1574833999 AQEAITXOVLDENV-DTWKUNHWSA-N 315.341 -0.019 30 20 DBED C=C(C)CN1CC[C@@](O)(CNC(=O)CCOCc2cnn[nH]2)C1 1575047783 BVLUKZJDDZMBGA-OAHLLOKOSA-N 323.397 -0.160 30 20 DBED COC(=O)[C@]1(F)CCN(c2cnc(C#N)c(-c3nn[nH]n3)n2)C1 1579438431 HMRRKOZLJSUGMI-LBPRGKRZSA-N 318.272 -0.380 30 20 DBED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CC3(CNC3)C2)c1 1580078033 IETGZAMUKQNWGT-UHFFFAOYSA-N 320.374 -0.732 30 20 DBED C[C@@]1(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[nH]2)CCNC(=O)C1 1590071361 ZGKSXLOGRROUPH-GFCCVEGCSA-N 315.297 -0.684 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)C(=O)NC2CCC(C(=O)O)CC2)C1 1594606579 WEZUOBUGHUPVBC-QKFMDRJYSA-N 323.349 -0.377 30 20 DBED CCOC(=O)N1CSC[C@H]1C(=O)N(CC#N)CC(=O)O 1596655192 MXGGPWXHMBCNGI-QMMMGPOBSA-N 301.324 -0.045 30 20 DBED Cc1c(C(=O)O)cc(CNC(=O)NCC(=O)NCC#N)n1C 1599989595 QAMANKBPYBTDQG-UHFFFAOYSA-N 307.310 -0.529 30 20 DBED N#CCN(CC(=O)O)C(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 1601071604 ZGQVNOZCCUCYNN-UHFFFAOYSA-N 302.246 -0.733 30 20 DBED N#Cc1cccc(NC(=O)CN2[C@@H](C(=O)O)CCS2(=O)=O)c1 1601120886 RBPNWVLRRFFPKI-LLVKDONJSA-N 323.330 -0.015 30 20 DBED C#CCN(C(=O)[C@H]1C[C@H]1C(=O)O)C1CCN(C(=O)COC)CC1 1602711448 GWLDCCSLDUGWLP-QWHCGFSZSA-N 322.361 -0.194 30 20 DBED CCNC(=O)CN1CCCN(C(=O)C2(C#N)CCOCC2)CC1 1645552898 RFZXUFSBEHUBMU-UHFFFAOYSA-N 322.409 -0.023 30 20 DBED N#CC[C@]1(O)CCN(C(=O)NC[C@@H]2CCCS2(=O)=O)C1 1649842493 JTGXOMUJPUNZFK-JQWIXIFHSA-N 301.368 -0.376 30 20 DBED Cc1nn(C)c(N2CCN(C(=O)c3ncnn3C)CC2)c1C#N 1649888603 PEVFQPRKXCNGDK-UHFFFAOYSA-N 314.353 -0.309 30 20 DBED C#CCNC(=O)CNC[C@H]1CCCCN1C(=O)[C@H]1CCN(C)C1 1733711042 DZQUOABXEPMCCN-LSDHHAIUSA-N 320.437 -0.342 30 20 DBED Cc1ccc(C(=O)N2CC[C@H](NCC(=O)NCC#N)C2)nn1 1752564951 SSBLJMHRKRKUBG-NSHDSACASA-N 302.338 -0.771 30 20 DBED C=CCN1CC[C@H](N[C@@H](C)CNC(=O)c2nnn(C)c2C)C1=O 1752866835 UDIDNDRBZKXWLN-JQWIXIFHSA-N 320.397 -0.382 30 20 DBED CCN(CCC#N)C(=O)CN[C@H]1CCC[C@@H](NC(=O)C(N)=O)C1 1752975244 AJQOSLFEMNOEJD-NWDGAFQWSA-N 323.397 -0.749 30 20 DBED C#CCN1CCC(C(=O)NCCN(C2CC2)[C@H](C)C(N)=O)CC1 1753165200 QKGKZGSGLCKEOE-CYBMUJFWSA-N 320.437 -0.214 30 20 DBED C=C[C@@](C)(O)CC(=O)N1C[C@@H]2CC[C@H](C1)N2CC(=O)NC(N)=O 1753305482 PBQCRKWXEWUTPF-JRPNMDOOSA-N 324.381 -0.816 30 20 DBED C=CCOCCN1CC(NC(=O)[C@H]2CCCS2(=O)=O)C1 1753400393 WONWZEMTIYREFL-GFCCVEGCSA-N 302.396 -0.433 30 20 DBED O=C(C#CC1CC1)NCC1CN(CC(=O)NC(=O)NC2CC2)C1 1753402034 ZPVATJJJIDFYBA-UHFFFAOYSA-N 318.377 -0.564 30 20 DBED C#CCNC[C@H](O)CNC(=O)C[C@@H](C)NC(=O)C1CCCC1 1753950063 YXIZLKLVWVRFBV-OCCSQVGLSA-N 309.410 -0.229 30 20 DBED N#CCNC/C=C/CNC(=O)c1ccc(OCC(N)=O)cc1 1754146814 WQESCLKQHFVTCY-OWOJBTEDSA-N 302.334 -0.050 30 20 DBED C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CS(=O)(=O)N(C)C 1754543343 BMSBUVBYHOZESU-OLZOCXBDSA-N 313.423 -0.424 30 20 DBED C#CCNC(=O)CN(C)[C@@H](C)CNC(=O)[C@@H]1CCO[C@H]1C=C 1755316656 QEDUJTIASDOVEJ-MJBXVCDLSA-N 307.394 -0.237 30 20 DBED CC(=O)NCC(=O)NCC(=O)NC1(CNCC#N)CCCCC1 1755352669 JYEHWXXWGIUXRW-UHFFFAOYSA-N 323.397 -0.829 30 20 DBED C#CCNC(=O)CN1CC([C@H](C)NC(=O)c2cc(C)[nH]n2)C1 1755374499 MBQPKBAARKFUJS-NSHDSACASA-N 303.366 -0.482 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(CNC(=O)CNC(=O)CC)[C@H]2C1 1755421646 VCVVGOURWHCUPF-CHWSQXEVSA-N 322.409 -0.891 30 20 DBED CC#CCN[C@H](CO)CNC(=O)CN1CCCCCCC1=O 1755630583 MUYRKERILBFBPR-AWEZNQCLSA-N 309.410 -0.131 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@@H](NCC(=O)NCC)C(C)(C)C1 1755759599 UZRKRFKVGNVUHM-QWHCGFSZSA-N 309.410 -0.013 30 20 DBED C#CCOCCC(=O)N1CC([C@@H](C)NC(=O)c2cnnn2C)C1 1756140199 HLVUSTUMDZILBT-LLVKDONJSA-N 319.365 -0.568 30 20 DBED C#CCCCC(=O)N1CCC[C@@H](NC(=O)Cn2cnnn2)[C@@H]1C 1756618908 ROFYGVJAAXUMAM-QWHCGFSZSA-N 318.381 -0.028 30 20 DBED C=CCOCC(=O)NC1CC(N(C)C(=O)[C@]2(C)CCNC2=O)C1 1756750082 ONMREBDBTWWHFS-ZEPSKSRBSA-N 323.393 -0.179 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCNC(C)C)C2 1800452300 ZIAHRLNLEHFHGJ-YWVIFJGQSA-N 307.394 -0.403 30 20 DBED C#CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CCC(N)=O)CC2 1825024472 MWPRTCFBVUESPM-QMMMGPOBSA-N 320.374 -0.046 30 20 DBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)COC(C)C)C2)C1 1839805113 CEUSOALKRLYSLI-MRXNPFEDSA-N 324.377 -0.499 30 20 DBED CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)S)CCO2 1840158635 OCZHBPLQNAWQJJ-GWCFXTLKSA-N 302.396 -0.219 30 20 DBED C#CC(=O)N1CCCC12CN(C(=O)c1nc(C)c(C)[nH]c1=O)C2 1845958585 ZQXAFNDRXNEKQY-UHFFFAOYSA-N 314.345 -0.163 30 20 DBED C#CC(=O)N1CCCC12CN(C(=O)c1cnncc1C(=O)O)C2 1845959341 FYOQYQAOPSWYEN-UHFFFAOYSA-N 314.301 -0.375 30 20 DBED C/N=C(/NCCN1CCCS1(=O)=O)NC[C@@H]1CCCO1 72750391 BXFBOHNNMSIPLM-NSHDSACASA-N 304.416 -0.634 30 20 DBED C=C(C)CNS(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C 119193092 HTGBENVTGZIFKF-UHFFFAOYSA-N 310.335 -0.524 30 20 DBED COC[C@H](C)N/C(N)=N/CC1CCN(S(C)(=O)=O)CC1 261708821 VBMALULRICRVKU-JTQLQIEISA-N 306.432 -0.403 30 20 DBED C#CCOc1cccc(NC(=O)C(=O)NC[C@]2(O)CCOC2)c1 270029675 BQWMJXGXKMRSMB-MRXNPFEDSA-N 318.329 -0.095 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCOC[C@H]2C2CC2)C1=O 270506129 CDXBXHWGNZAMPG-NSHDSACASA-N 321.333 -0.399 30 20 DBED C=CCNC(=O)CNC(=O)NCCCN(CC)S(C)(=O)=O 272030586 ZOBCIOJMOPPUDP-UHFFFAOYSA-N 320.415 -0.741 30 20 DBED C#CCN(C)C(=O)C(=O)N1C[C@H](C(=O)NC)Oc2ccccc21 283671993 RDZSYIJKSJJGOM-CYBMUJFWSA-N 315.329 -0.382 30 20 DBED CC(C)NS(=O)(=O)N1CCN(c2nccnc2C#N)CC1 285644893 NXXMLVNCTKJUGF-UHFFFAOYSA-N 310.383 -0.287 30 20 DBED COCCOc1cncc(C(=O)NCCn2cnc(C#N)n2)c1 287110490 ZRPHXSIXSIJNAO-UHFFFAOYSA-N 316.321 0.000 30 20 DBED C=CCCOCCNC(=O)C(=O)N(C[C@@H](C)O)[C@H](C)CO 289422110 PWRLUPGFQMPMGP-VXGBXAGGSA-N 302.371 -0.715 30 20 DBED C[C@H]1CN(C(=O)Cn2c(=O)c(C#N)cn(C)c2=O)C[C@H](C)O1 294914780 IPTPWZUQFSZGPC-UWVGGRQHSA-N 306.322 -0.946 30 20 DBED C/N=C(/O)N1CCN(C(=O)c2cncc(-n3ccnn3)c2)CC1 328700120 MORVQCQMNXWANT-UHFFFAOYSA-N 315.337 -0.036 30 20 DBED C[C@@]1(/N=C(/O)CN2CCN(S(C)(=O)=O)CC2)CCOC1 328868017 ONRIHTYMTQHKQR-GFCCVEGCSA-N 305.400 -0.301 30 20 DBED COCCO[C@@H]1CCN(/C(O)=N/C[C@@H]2CN(C)CCN2C)C1 331236327 UHVIGFHKAJJCBQ-ZIAGYGMSSA-N 314.430 -0.117 30 20 DBED COC(=O)C1CCN(S(=O)(=O)N2CC(O)(CC#N)C2)CC1 332040326 XVKHQFCDOHJVBW-UHFFFAOYSA-N 317.367 -0.923 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1C[C@@H](CO)O[C@H](C)C1 337193093 UJCKGQJZSIVAAV-NEPJUHHUSA-N 321.399 -0.825 30 20 DBED C=CCNC(=O)NC(=O)CN1CCC[C@@H](n2cc(CO)nn2)C1 339412444 OJDGEGMXKHOHQO-GFCCVEGCSA-N 322.369 -0.581 30 20 DBED C=CCOC[C@H]1NC(=O)N(C[C@@H](C)CN2CCN(C)CC2)C1=O 348433093 TUHWFDVDXZDVRI-UONOGXRCSA-N 324.425 -0.007 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 352648661 XNPAUPYJQHMFLE-OUAUKWLOSA-N 321.424 -0.558 30 20 DBED C=C[C@H](CO)NC(=O)C(=O)Nc1ccc2c(c1)N(C)C(=O)CO2 354561490 FWFDTONYMVVDCW-SECBINFHSA-N 319.317 -0.357 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C)CN(C)C(C)C)C1=O 356751572 LXXQONQTCYRMIB-NSHDSACASA-N 324.381 -0.192 30 20 DBED N#CCNC(=O)CNC(=O)NCCNc1ccc([N+](=O)[O-])cc1 358277081 PBOKKYMPTSSBEX-UHFFFAOYSA-N 320.309 -0.054 30 20 DBED C[C@@H](C(=O)N1CCOC[C@H]1C#N)N1C(=O)NC2(CCCC2)C1=O 362907229 RKNJRGGZFDAMFY-WDEREUQCSA-N 320.349 -0.010 30 20 DBED CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)N1CCO[C@H](C#N)C1 408395140 POCQUIMRNCMGJF-ZJUUUORDSA-N 303.384 -0.299 30 20 DBED C=CCCn1cc(C(=O)NCCNC(=O)c2cc[nH]n2)nn1 424786495 MDBQSOXQYPGFGS-UHFFFAOYSA-N 303.326 -0.263 30 20 DBED C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@H]3O 425902172 UTQXDJPLDLBFFW-GALFJALPSA-N 320.389 -0.079 30 20 DBED Cn1c(N2CC[C@@H]3C[C@@H](O)CC[C@@H]3C2)c(C#N)c(=O)n(C)c1=O 450814653 RGHGGFHPUWGUNE-UTUOFQBUSA-N 318.377 -0.057 30 20 DBED Cc1ncc(S(=O)(=O)N2C[C@@H](C(N)=O)O[C@H](C)C2)cc1C#N 489604194 JHWAZSRPAWTHSV-PELKAZGASA-N 324.362 -0.475 30 20 DBED C#CCN1CCN(C(=O)COc2cccc(CC(N)=O)c2)CC1 490800872 XKOOROWJLCSZLD-UHFFFAOYSA-N 315.373 -0.129 30 20 DBED C#CCN(C)CCCNC(=O)C(=O)Nc1cncc(OC)n1 491709958 SOUVVNFKXUISPM-UHFFFAOYSA-N 305.338 -0.505 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)C[C@@H]2CCC(=O)[C@@H]2C)CC1 491729178 FFZGAVADIORRKA-KGLIPLIRSA-N 319.405 -0.115 30 20 DBED CCOCCNC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N 550840580 VUFXBKJSZQSILG-UHFFFAOYSA-N 322.369 -0.593 30 20 DBED N#C[C@H]1CN(S(=O)(=O)N[C@H](CO)CC2CCCC2)CCO1 572304853 AIGSRPAUPRHLGM-STQMWFEESA-N 317.411 -0.014 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1C 575020233 HMFZPCSINRVHJA-LPEHRKFASA-N 309.413 -0.655 30 20 DBED CN(CCC#N)S(=O)(=O)N1C[C@@H](C(=O)O)[C@H](C(F)F)C1 592446915 AYGPQAUXLLCUQR-HTQZYQBOSA-N 311.310 -0.026 30 20 DBED N#CCN1CCC(NC(=O)C(=O)NCC2(N)CCCC2)CC1 595282534 RMDRQDMJHNRIHP-UHFFFAOYSA-N 307.398 -0.522 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1CCN(Cc2cn[nH]c2)CC1 599440510 MGQKGIWNYBHJLM-LBPRGKRZSA-N 320.397 -0.072 30 20 DBED C[C@@H](NC(=O)N1CCN(CCC#N)CC1)[C@@H]1CN(C)CCO1 601585650 JIHJJXQARSOJED-KGLIPLIRSA-N 309.414 -0.054 30 20 DBED CC#CC[C@@H](CO)NC(=O)CN(C)c1ncnc2[nH]cnc12 649189511 HKHAPNZYTHNOGE-JTQLQIEISA-N 302.338 -0.320 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)NCCN1CCN(C(C)=O)CC1 666399890 XOOYQQWQRNVFSY-OAHLLOKOSA-N 324.425 -0.262 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](CCO)C2CC2)C1=O 757075599 KUUKMTRRBHQVCO-JTQLQIEISA-N 309.322 -0.760 30 20 DBED C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)OCC#N 762935911 HRGWDGQPDZJFTE-MRVPVSSYSA-N 311.319 -0.481 30 20 DBED CCCOC(=O)CCNS(=O)(=O)N1CCO[C@@H](C#N)C1 800070789 DQFIWOCHNASCGS-JTQLQIEISA-N 305.356 -0.612 30 20 DBED CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)N1CCC(C#N)CC1 821140902 CZSKWTULXDHOKO-GHMZBOCLSA-N 301.368 -0.256 30 20 DBED C#CCOc1ccccc1CNC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 827827387 UHZZFPOSCAFNKY-IIAWOOMASA-N 317.341 -0.272 30 20 DBED C=CCOC[C@@H](NC(=O)/C=C\CN1CCOCC1)C(=O)OC 867968965 JETQGWNPNKLWNJ-DSYXLKISSA-N 312.366 -0.265 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N1CCN2CCOC[C@H]2C1 875595589 CAZCZQXQAXIWJW-UONOGXRCSA-N 323.393 -0.926 30 20 DBED C#CCN1CCC[C@H](NC(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)C1 884218985 DNUMEOIZZAJRKX-XQQFMLRXSA-N 308.382 -0.584 30 20 DBED C[C@@H](OC(=O)CN1CCCS1(=O)=O)C(=O)N(C)CCC#N 919359344 UPFPZUATQPSYSK-SNVBAGLBSA-N 317.367 -0.674 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](NC(=O)c2ccc3nnnn3c2)C1 938265038 HKVJNTLRPSLWBR-KOLCDFICSA-N 313.321 -0.385 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](NC(=O)c2ccnc3[nH]nnc23)C1 941818015 HECXUSVNTCLBOG-DTWKUNHWSA-N 313.321 -0.157 30 20 DBED O=C(N[C@H]1[C@H]2C[C@H]1N(C(=O)C#CC1CC1)C2)c1ccc(O)nn1 946629353 LUGSXNHVEHXNHV-NVBFEUDRSA-N 312.329 -0.075 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2nccnc2C(N)=O)C[C@@H]1C 948018080 ZEYQNUYTENHUDH-WDEREUQCSA-N 301.350 -0.209 30 20 DBED CC#CCN1CCN(C(=O)Cn2nc3ccccn3c2=O)CC1 949560423 KVZMNRBNYFLUNQ-UHFFFAOYSA-N 313.361 -0.337 30 20 DBED COc1cc(C(=O)NC[C@@H]2CCN2C(=O)[C@@H](C)C#N)ncn1 950141665 CXZDCRZAZRKQGO-UWVGGRQHSA-N 303.322 -0.024 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cnn(CCOC)c2C)C1 958069667 OWSKSAJLZLKWMW-DZGCQCFKSA-N 320.393 -0.506 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2ccc3c(c2)NC(=O)C3)C1 958080607 CJZULHCFEJPHLZ-HIFRSBDPSA-N 313.357 -0.163 30 20 DBED C=CCOc1cccnc1C(=O)NC[C@H]1CN(CCO)C[C@@H]1O 958577594 LBLJOUNWLOUFQS-STQMWFEESA-N 321.377 -0.339 30 20 DBED C#CCN1CCC(C(=O)NC[C@H]2CN(CCCO)C[C@@H]2O)CC1 958724872 USICKYGSEDQUAZ-HOTGVXAUSA-N 323.437 -0.877 30 20 DBED N#CCN1C[C@H]2C(NC(=O)[C@H]3CN4CC5CC4(CO3)C5)[C@@H]2C1 961278895 GUTQJCLRYOCTAM-VECWZWDRSA-N 302.378 -0.580 30 20 DBED CC#CCN1C[C@H]2C(NC(=O)c3cnc(O)n(C)c3=O)[C@@H]2C1 961457175 MFIRHCMXNDRHQO-GHMZBOCLSA-N 302.334 -0.831 30 20 DBED C#CCCN1C[C@H]2C(NC(=O)Cc3c(C)nc(O)nc3O)[C@@H]2C1 962127966 HKAZIHJINZUOOZ-VXGBXAGGSA-N 316.361 -0.192 30 20 DBED N#CCN1C[C@H]2[C@H](NC(=O)[C@H](C3CC3)N3CCOCC3)[C@H]2C1 962695083 ZHFRSIIAERRBOI-YJNKXOJESA-N 304.394 -0.333 30 20 DBED C=CCCn1cc(C(=O)N[C@@H]2CN(C(=O)C(C)C)C[C@@H]2O)nn1 964300125 UHKXHNDVTZLLRL-YPMHNXCESA-N 321.381 -0.188 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CN(C(=O)Cc3ncc[nH]3)CCO2)C1 965466931 KSEBLCMCXYKDRH-LLVKDONJSA-N 317.349 -0.448 30 20 DBED N#Cc1cc(C(=O)N2[C@H]3CC[C@H]2CN(C(=O)CC(N)=O)C3)c[nH]1 968873243 PPSYVIDWTIWKNK-RYUDHWBXSA-N 315.333 -0.423 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CC[C@H]1CN2CCN1C(=O)CNC1=O 971192573 NDCPNVPEOYNLSR-UTUOFQBUSA-N 319.365 -0.627 30 20 DBED C#CCN1C[C@H]2CC[C@H]1CN2C(=O)CCn1ncn(C)c1=O 971640063 FUUCXQQJQMERRF-QWHCGFSZSA-N 303.366 -0.720 30 20 DBED CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N2C[C@H]3CC[C@H]2CN3CC#N)O1 971812147 SSLKBZLBQAJSRD-ZOBORPQBSA-N 320.393 -0.179 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CCOC2)C1 973079899 AUGKLTSIJFHGSG-TUVASFSCSA-N 319.405 -0.116 30 20 DBED CN1CCN(CC(=O)N[C@H]2CN(CC#N)CC2(C)C)CC1=O 974751230 KFDHINKTBAVBFU-LBPRGKRZSA-N 307.398 -0.889 30 20 DBED C=CCN[C@H]1CCN(C(=O)CCc2nnc(O)nc2O)[C@H]1C 986463717 PTJBSXQHGAEPFV-UWVGGRQHSA-N 307.354 -0.020 30 20 DBED C=CCn1cc(C(=O)N2CC(NC(=O)[C@H]3CCOC3)C2)nn1 990418607 MQOSTMQGYDUEFG-JTQLQIEISA-N 305.338 -0.559 30 20 DBED COc1c[nH]c(C(=O)NC2CN(C(=O)[C@H](C)C#N)C2)cc1=O 995612631 MYDWESXYFDKPDU-MRVPVSSYSA-N 304.306 -0.516 30 20 DBED O=C1N[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C#CC2CC2)CO1 996218209 MJBXSJPDKVTEHN-XQHKEYJVSA-N 317.345 -0.244 30 20 DBED C[C@@H](C#N)C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cn(C)nn1 996239397 UBBAJCTYPUPMAQ-WYFGTUCQSA-N 302.338 -0.164 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)Cc3ncc[nH]3)C2)cn1 997102058 ODTRORDEAXCQHM-UHFFFAOYSA-N 309.329 -0.031 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCC1CN(C(=O)CC(C)(C)O)C1 1002829661 NBEFEQHQSCXJFJ-AWEZNQCLSA-N 321.421 -0.180 30 20 DBED C[C@H](NC(=O)c1cc(C#N)c[nH]1)C1CN(C(=O)CC(N)=O)C1 1005863017 QJMWJSWONQMUHS-QMMMGPOBSA-N 303.322 -0.662 30 20 DBED C=CCCn1cc(C(=O)N[C@@H]2C[C@@H](C)N(C(=O)C(N)=O)C2)nn1 1013983162 MNQZJRVXPTUJHV-NXEZZACHSA-N 320.353 -0.941 30 20 DBED N#CCN1CC[C@@H](NC(=O)Cn2nc3ccccn3c2=O)C1 1015450832 BMZUMUGANGWNTC-LLVKDONJSA-N 300.322 -0.790 30 20 DBED N#Cc1ccc(CN2CC[C@H](NC(=O)[C@@H]3CNC(=O)N3)C2)cc1 1015634091 KYEJMYUHYDPVKJ-KBPBESRZSA-N 313.361 -0.070 30 20 DBED N#Cc1ccccc1CN1CC[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1 1015634339 LPFDLOKBCGVIOK-ZIAGYGMSSA-N 313.361 -0.070 30 20 DBED C=CCN1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1ccc(=O)n(C)c1=O 1017600649 ONZMEPPZMBQMFH-BETUJISGSA-N 318.377 -0.592 30 20 DBED C=CCCN1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1c(O)nnc1O 1018221880 FPZSVTYVEQOOBA-PHIMTYICSA-N 307.354 -0.059 30 20 DBED N#Cc1c[nH]c(C(=O)N2C[C@@H]3CCN(C(=O)C(N)=O)[C@@H]3C2)c1 1022548247 IQYMCZHTKYJCLJ-GXSJLCMTSA-N 301.306 -0.955 30 20 DBED Cc1ccncc1CC(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1O 1024360975 VVMDAYJHSXSVJC-IACUBPJLSA-N 316.361 -0.220 30 20 DBED C=C(C)CCN1CC(NC(=O)c2c[nH]nc2S(N)(=O)=O)C1 1030935053 XQQFOSTWDOCQHX-UHFFFAOYSA-N 313.383 -0.563 30 20 DBED C#CCN1CC[C@@H](N(CC)C(=O)c2cc(=O)n3[nH]cnc3n2)C1 1034019687 XKBTTWPUSDJQGP-LLVKDONJSA-N 314.349 -0.413 30 20 DBED N#CCN1CCO[C@H](CNC(=O)c2cn(C3CCC3)nn2)C1 1035368256 OISVZALCHFTSTG-GFCCVEGCSA-N 304.354 -0.043 30 20 DBED C#CCCN1CC[C@@H]2CN(C(=O)CN3CCNC(=O)C3)CC[C@@H]21 1036792335 NXJIIDTWDXMERT-CABCVRRESA-N 318.421 -0.636 30 20 DBED C[C@@H]1CN(C(=O)C(N)=O)C[C@@]1(C)CNc1cncc(C#N)n1 1040348599 PZWZMFMIJUUKOT-YMTOWFKASA-N 302.338 -0.270 30 20 DBED Cc1nn[nH]c1C(=O)NC[C@]1(O)CCN(C(=O)C#CC(C)C)C1 1040468291 WZXPDOICWPYYBG-OAHLLOKOSA-N 319.365 -0.534 30 20 DBED CCN(C)CCC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H](C)C#N)C1 1040901413 IOBXMLUIMWAWCW-WFASDCNBSA-N 310.398 -0.433 30 20 DBED N#CCSCC(=O)NCC1(O)CN(C(=O)Cc2ccon2)C1 1041568219 FSGQDMKXRUCELJ-UHFFFAOYSA-N 324.362 -0.837 30 20 DBED N#CCSCC(=O)NCC1(O)CN(C(=O)c2ccccn2)C1 1041568343 IFWJRRLDBUCQBJ-UHFFFAOYSA-N 320.374 -0.359 30 20 DBED CC(C)CO[C@H](C)C(=O)NCC1(O)CN(C(=O)[C@@H](C)C#N)C1 1041780495 LANRMNWDPWVYIX-NWDGAFQWSA-N 311.382 -0.103 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)c2cnn(CC)n2)C1 1041956577 QQZFVIYLOVNBOA-UHFFFAOYSA-N 307.354 -0.433 30 20 DBED N#Cc1cc(C(=O)N2CC[C@H]3CCN(CC(N)=O)[C@H]3C2)c[nH]1 1042018976 PJXLLPXGSJKLME-MFKMUULPSA-N 301.350 -0.092 30 20 DBED Cc1[nH]nc(C(=O)NCC2(O)CN(C(=O)C#CC(C)C)C2)c1C 1042194999 ZNZBODSEEBKSHA-UHFFFAOYSA-N 318.377 -0.011 30 20 DBED C=CCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1042976788 ULVWPSWWLDBJIQ-GHMZBOCLSA-N 311.338 -0.303 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)[C@H](C2CC2)N(C)C)C1 1043462178 HAAPATZFTHTDEJ-PWSUYJOCSA-N 308.382 -0.824 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)C[C@@H](C)n2ccnc2)C1 1045555031 NCZYIGVZQRKNFY-VXGBXAGGSA-N 319.365 -0.317 30 20 DBED C=CCOCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC(=O)NC)C2 1047398987 HVLFEXMOESDKSR-AVGNSLFASA-N 323.393 -0.179 30 20 DBED C=C(C)CCN1C[C@H](O)[C@@H](N(C)C(=O)Cn2ncn(C)c2=O)C1 1047433447 BREGPVOCIPWOCA-STQMWFEESA-N 323.397 -0.949 30 20 DBED C=CCCn1cc(C(=O)N(C)[C@H]2CN(CCOC)C[C@@H]2O)nn1 1047557976 SSMQMCRVRFTFFN-KBPBESRZSA-N 323.397 -0.382 30 20 DBED CC(C)C#CC(=O)N(C)[C@H]1CN(C(=O)c2cnnn2C)C[C@@H]1O 1048811233 QZDPARJSORQKMK-STQMWFEESA-N 319.365 -0.882 30 20 DBED N#Cc1ccc(N(CCO)[C@H]2CCCN(C(=O)C(N)=O)C2)cn1 1049163995 IMCZJHJEIFYGDF-ZDUSSCGKSA-N 317.349 -0.772 30 20 DBED CNC(=O)NCC(=O)N1CC[C@@H]([C@@H](C)NC(=O)C#CC(C)C)C1 1050936428 YWXGYTKFBPZGGB-CHWSQXEVSA-N 322.409 -0.072 30 20 DBED NC(=O)CN1CCN([C@@H]2CCN(C(=O)C#CC3CC3)C2)CC1 1052027253 ZOGJOZYCGQOSFD-CQSZACIVSA-N 304.394 -0.896 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](C)[C@@H](CNC(=O)CCOC)C1 1052398856 YEGZWWVJPRKIAE-OLZOCXBDSA-N 323.393 -0.627 30 20 DBED CC#CCN1CCC[C@@H](NC(=O)Cn2ncn(C)c2=O)CC1 1052506971 OYEDIKGALZUJAJ-CYBMUJFWSA-N 305.382 -0.424 30 20 DBED C=CCn1cc(C(=O)N2C[C@@H](C)[C@H](CNC(=O)COC)C2)nn1 1052620354 YPCVZUAVQHMSLG-VXGBXAGGSA-N 321.381 -0.065 30 20 DBED C#CCCN1CCC[C@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)CC1 1052946515 VBLIQVXBLRMIKF-STQMWFEESA-N 313.423 -0.328 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)C[C@H]3CCN(C)C3=O)CO2)C1 1053841095 ACZQGXSICXMVBI-OLZOCXBDSA-N 305.378 -0.553 30 20 DBED Cc1nc[nH]c1C(=O)N1CCC[C@](CO)(NC(=O)[C@H](C)C#N)C1 1056095514 CHKPJXCLSRXJPI-BMIGLBTASA-N 319.365 -0.039 30 20 DBED C[C@H](C#N)C(=O)N[C@]1(CO)CCCN(C(=O)CCCN(C)C)C1 1056095912 FHRQYEADNUBRLE-CZUORRHYSA-N 324.425 -0.042 30 20 DBED Cn1ncc(C(=O)N[C@H]2[C@@H]3CN(c4ncccc4C#N)C[C@@H]32)n1 1056256727 NCKAKOPZAFZMFU-PJXYFTJBSA-N 309.333 -0.054 30 20 DBED Cn1ncc(C(=O)NC2[C@H]3CN(c4ccc(C#N)cn4)C[C@H]23)n1 1056257024 OEFKTFFKCBAQSL-QWRGUYRKSA-N 309.333 -0.054 30 20 DBED Cc1cc(N2C[C@@H]3C(NC(=O)Cn4ncnn4)[C@H]3C2)c(C#N)cn1 1056308524 DODSAFLKLIFJAL-RYUDHWBXSA-N 324.348 -0.501 30 20 DBED CN(c1cncc(C#N)n1)[C@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 1057011470 OBKQPDKVEVAUCJ-NSHDSACASA-N 314.349 -0.349 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)c1cnc(C)cn1 1057199067 JLGCQXYZIFSAPY-UHFFFAOYSA-N 322.365 -0.462 30 20 DBED Cn1nnc(C(=O)N2CCC(Nc3cncc(C#N)n3)CC2)n1 1057405388 QYGASBWWJFTTOM-UHFFFAOYSA-N 313.325 -0.412 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)c1[nH]nnc1C 1057445441 VUGOBBYBQHMJBX-UHFFFAOYSA-N 307.354 -0.533 30 20 DBED N#Cc1nccnc1N1CCC(NC(=O)[C@@H]2CCC(=O)N2)CC1 1057886312 MGVANUYNOOHBDS-NSHDSACASA-N 314.349 -0.288 30 20 DBED C=C(C)C[C@H](C)C(=O)NCCN(CCO)C(=O)c1cnn[nH]1 1058060028 IOLQDKYYVGFSNN-NSHDSACASA-N 309.370 -0.042 30 20 DBED N#Cc1cnc(N2CC[C@H](NC(=O)[C@@H]3COCCO3)C2)cn1 1058304996 NVJCEIJMPBZVOU-JQWIXIFHSA-N 303.322 -0.541 30 20 DBED Cc1n[nH]c(C)c1C(=O)N(CCO)CCNC(=O)[C@H](C)C#N 1058366878 VYWINXLJTWVOQF-SECBINFHSA-N 307.354 -0.263 30 20 DBED N#Cc1nccnc1N1CC[C@@H](NC(=O)[C@@H]2CCCNC2=O)C1 1058467428 LQXYGGIRXOLKQY-GHMZBOCLSA-N 314.349 -0.431 30 20 DBED Cn1cc(C(=O)N[C@@H]2CCN(c3ccc(C#N)nn3)C2)nc1O 1058533191 WOEOFDCEVTYKIJ-SNVBAGLBSA-N 313.321 -0.204 30 20 DBED CN(c1ccnc(C#N)n1)[C@H]1CCCN(C(=O)CC(N)=O)C1 1061183109 WJNNGYTZQYJDDV-JTQLQIEISA-N 302.338 -0.349 30 20 DBED C=CCCC(=O)NC[C@H]1COCCN1C(=O)[C@H]1CCNC1=O 1061402924 ZNQGTQCTDQRNPT-RYUDHWBXSA-N 309.366 -0.568 30 20 DBED Cc1ccnn1CC(=O)N1CCOC[C@@H]1CNC(=O)[C@H](C)C#N 1061852525 JIJWZVHUFIVLNV-YPMHNXCESA-N 319.365 -0.305 30 20 DBED N#Cc1cnc(N2C[C@@H]3C[C@H]2CN3C(=O)C(N)=O)c(Cl)c1 1062566037 MVBTVYMOTYSHNW-IUCAKERBSA-N 305.725 -0.119 30 20 DBED N#Cc1cnc(N2C[C@@H]3C[C@H]2CN3C(=O)C2(C(N)=O)CC2)cn1 1062567770 ZNNKJDRWSJGHKO-QWRGUYRKSA-N 312.333 -0.597 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)CCn2ccnn2)CCC1 1062854193 MIASWYYGMLVQBH-NSHDSACASA-N 304.354 -0.017 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)[C@H]2CCCNC2=O)CCC1 1063372711 HGUABJPUVYFZRS-MNOVXSKESA-N 306.366 -0.173 30 20 DBED C=CCCOCC(=O)NCC1(NC(=O)[C@H]2CCNC2=O)CCC1 1063425303 CVQMHTXFNSZCNI-LBPRGKRZSA-N 323.393 -0.130 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)c2ccc(=O)n(C)n2)CCC1 1064590665 FACWYICFYMCLMB-JTQLQIEISA-N 317.349 -0.291 30 20 DBED N#Cc1nccnc1N1CC[C@H]2CCN(C(=O)CC(N)=O)C[C@@H]21 1064674346 FFCKNQPITLSTQS-PWSUYJOCSA-N 314.349 -0.349 30 20 DBED CC(=O)N[C@@H](C)C(=O)N1CCO[C@@H](CNC(=O)C#CC2CC2)C1 1064817924 MHZAHSCATWRSAA-FZMZJTMJSA-N 321.377 -0.732 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)[C@]2(C)CNC(=O)C2)CCO1 1065365623 KNLLHTHUURGDKX-WBMJQRKESA-N 323.393 -0.178 30 20 DBED Cc1ncc(C(=O)N2CCO[C@@H](CNC(=O)[C@H](C)C#N)C2)n1C 1065501517 IRULUNKBYHWXFU-PWSUYJOCSA-N 319.365 -0.155 30 20 DBED C[C@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@@H]1Nc1nccnc1C#N 1067186582 HJZYIJHIHKNIDK-ONGXEEELSA-N 314.349 -0.127 30 20 DBED CN(CCCN(C)C(=O)[C@@H]1COC(=O)N1)C(=O)C#CC1CC1 1067310205 MVSGVIBWSDOSCM-LBPRGKRZSA-N 307.350 -0.185 30 20 DBED C[C@@H](C(=O)N(C)CCCN(C)C(=O)[C@H](C)C#N)S(C)(=O)=O 1067739280 GFXIKEKVAYXIMB-MNOVXSKESA-N 317.411 -0.114 30 20 DBED C=CCCC(=O)N1CC2(CC[C@@H](CNC(=O)CNC(C)=O)O2)C1 1068497559 PCKXXHTYJXSVRP-ZDUSSCGKSA-N 323.393 -0.035 30 20 DBED C=CCOCC(=O)N1CC2(C[C@@H](NC(=O)[C@H](C)OC)CO2)C1 1068727558 POZAJTUJPCUKQA-NWDGAFQWSA-N 312.366 -0.290 30 20 DBED C#CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)Cc2ncc[nH]2)C1 1070063140 WVNXPWIYANUPDB-OLZOCXBDSA-N 313.365 -0.391 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCC[C@@H](NC(=O)Cc2nc[nH]n2)C1 1070672342 FNTFASYNSCLUDG-IAQYHMDHSA-N 321.381 -0.219 30 20 DBED N#CCN1C[C@H]2C[C@@H]3CN(C(=O)[C@H]4CCC(=O)N4)C[C@@]3(C1)O2 1070776101 DJHCGSCNHXVLFR-RTWAVKEYSA-N 304.350 -0.910 30 20 DBED C[C@@H]1CCN(CC(=O)N2CCC(=O)NCCN(CC#N)CC2)C1 1071000358 ZICGSORGPXDCOW-CQSZACIVSA-N 321.425 -0.498 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H](NC(=O)CCS(C)(=O)=O)C1 1071229680 WXTJBYDYDXWXLV-GHMZBOCLSA-N 315.395 -0.312 30 20 DBED CNC(=O)CC(=O)N1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@H](C)C1 1071967627 QAQHGLZUXXENEK-BXKDBHETSA-N 317.349 -0.401 30 20 DBED C[C@H]1CC[C@H](NC(=O)c2nccnc2C(N)=O)CN1CC#N 1072057740 AIEIWHJVEKYROT-UWVGGRQHSA-N 302.338 -0.318 30 20 DBED CC#CCCCC(=O)N1C[C@H](C)[C@H](NC(=O)Cn2cnnn2)C1 1072553948 BNQGAERTJBUKEF-QWHCGFSZSA-N 318.381 -0.170 30 20 DBED C[C@@H]1CN(C(=O)CNC(N)=O)CC[C@H]1NC(=O)C#CC1CC1 1073946380 QCYWKKAJSDZVAQ-ZYHUDNBSSA-N 306.366 -0.579 30 20 DBED C#CCCN1CCO[C@H]2CCN(C(=O)c3cnn(C)c3N)C[C@@H]21 1074222135 CFWIPOHLRQVLKH-KBPBESRZSA-N 317.393 -0.059 30 20 DBED N#CCN1CCO[C@@H]2CCN(C(=O)CN3CCCNC3=O)C[C@H]21 1074284322 NNVKQZCMACXVMN-CHWSQXEVSA-N 321.381 -0.773 30 20 DBED Cc1nonc1CC(=O)N1CC[C@@H]2OCCN(CC#N)[C@H]2C1 1074372377 WKRNULOCLOIHBL-STQMWFEESA-N 305.338 -0.254 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](NC(=O)CNC(N)=O)C[C@H]1C 1074819370 SDTRKUMEGFVBAI-VXGBXAGGSA-N 324.381 -0.810 30 20 DBED C[C@H]1C[C@@H](NC(=O)C#CC2CC2)CCN1C(=O)CNC(N)=O 1074979470 LQKLVSDZPBYXME-JQWIXIFHSA-N 306.366 -0.436 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)c2cc(C)c(C(N)=O)cn2)C1 1077704387 QXJDPGALDWFDER-ZIAGYGMSSA-N 318.377 -0.160 30 20 DBED N#CCN[C@@H]1C[C@H](NC(=O)CC2CS(=O)(=O)C2)C12CCC2 1078661582 VIOSOAGNEGQESH-NEPJUHHUSA-N 311.407 -0.038 30 20 DBED C#CCNC(=O)CC(=O)N1CC(N(CC)C(=O)[C@H](C)OC)C1 1079402280 DVPHNZYIWVEJEI-NSHDSACASA-N 309.366 -0.780 30 20 DBED CCN(C(=O)C#CC1CC1)C1CN(C(=O)[C@]2(C)CNC(=O)C2)C1 1079741312 BQPAZKADDMYMEN-KRWDZBQOSA-N 317.389 -0.015 30 20 DBED CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)C(C)(C)NC(=O)NC)C1 1080419638 DBOSMGLULGEAIM-SNVBAGLBSA-N 323.397 -0.087 30 20 DBED Cc1nonc1C(=O)NC1(CO)CCN(C(=O)[C@@H](C)C#N)CC1 1080906402 SXCNEGQJONUFQV-VIFPVBQESA-N 321.337 -0.379 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cc[nH]n2)C1 1081286818 PQUMFTQLTNJPCK-YPMHNXCESA-N 304.350 -0.382 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2nocc2C)C[C@H]1O 1081343517 DCVADKJQPZFYAG-NWDGAFQWSA-N 323.349 -0.265 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2ccn(C)c2)C[C@@H]1O 1081346366 HOBDMUOPYRJEDM-KBPBESRZSA-N 321.377 -0.223 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)c2ccn(C)n2)C[C@@H]1O 1081465756 LMKOGNWFXKNLFY-JSGCOSHPSA-N 318.377 -0.371 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)C2(C(N)=O)CC2)C1 1081714164 UIYOSJYVUNTAHQ-GHMZBOCLSA-N 309.366 -0.846 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@H]1CCc2nnn(C)c2C1 1082069792 ZTCZYODTYZIWAM-ZKYQVNSYSA-N 318.381 -0.741 30 20 DBED C#CCN1C[C@@H](NC(=O)c2ccnc3c2nnn3C)[C@H](OC)C1 1082070459 FYLQYEXKXNUMRT-VXGBXAGGSA-N 314.349 -0.575 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)Cc1ccc(C(N)=O)cc1 1082389654 ADEIWFPPDYNBMH-ZIAGYGMSSA-N 316.361 -0.333 30 20 DBED Cc1nonc1CN1C[C@H](O)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 1083414494 GMNUXRVKPBOEDT-OLZOCXBDSA-N 316.321 -0.447 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2sccc2-n2ccnn2)C1 1083552825 WYOZLIXKPLDEDB-PWSUYJOCSA-N 317.374 -0.263 30 20 DBED CN(C)c1ccc(C(=O)N[C@H]2CCN(CC#N)C[C@@H]2O)cn1 1090384205 IMKILUNJTQGZGH-STQMWFEESA-N 303.366 -0.164 30 20 DBED C#CCN1CC[C@@H](NC(=O)Cc2ccc(OC)cn2)[C@H](O)C1 1090510086 KAOPCVXXAIPORE-HUUCEWRRSA-N 303.362 -0.183 30 20 DBED CO[C@@H]1CN(c2ncc(C#N)cc2F)C[C@H]1NC(=O)CC(N)=O 1090876734 CBPAUJUBBUOAEI-GHMZBOCLSA-N 321.312 -0.712 30 20 DBED Cc1cc(N2CC[C@@H](NC(=O)CC(N)=O)[C@@H](O)C2)c(C#N)cn1 1092135181 VRKZILORNKFCAS-YPMHNXCESA-N 317.349 -0.807 30 20 DBED C#CCCN1C[C@@H](C)[C@H](CNC(=O)c2cn(CC(N)=O)nn2)C1 1093223941 JMEVNCNQGWKICK-VXGBXAGGSA-N 318.381 -0.916 30 20 DBED N#CCN1CC(N2C[C@H](NC(=O)C3CCOCC3)CC2=O)C1 1094693518 QNNRVXNIIKZVKV-GFCCVEGCSA-N 306.366 -0.662 30 20 DBED C#CCCN1CC(N2C[C@@H](NC(=O)c3n[nH]cc3F)CC2=O)C1 1094785812 QGBBMFBMJGYLJU-JTQLQIEISA-N 319.340 -0.413 30 20 DBED CN(CCCNC(=O)Cc1nc[nH]n1)c1nccnc1C#N 1095636732 JDIZJQZJODEJKF-UHFFFAOYSA-N 300.326 -0.348 30 20 DBED CN(CCCNC(=O)[C@@H]1CCNC1=O)c1ccc(C#N)nn1 1095696814 MYWOCMCOGCKRAS-NSHDSACASA-N 302.338 -0.573 30 20 DBED COCCOCC(=O)N[C@@H]1CCN(c2ccc(C#N)nn2)C1 1096340970 NZUOPQMTGLNWDC-GFCCVEGCSA-N 305.338 -0.294 30 20 DBED CC(=O)N[C@@H](C)C(=O)N[C@H]1C[C@H](N=c2cc[nH]c(C#N)n2)C1 1096986700 IWRUMEYYODJOBF-LSJOCFKGSA-N 302.338 -0.646 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1C[C@@H](Nc2ccnc(C)n2)C1 1097176637 PBUUJGODCFFGBP-TXEJJXNPSA-N 301.350 -0.016 30 20 DBED CNC(=O)CC(=O)NC[C@@H]1CCCN(c2cnc(C#N)cn2)C1 1097295518 JEGFMPBCOPYATD-NSHDSACASA-N 316.365 -0.183 30 20 DBED C[C@H](CNC(=O)[C@H]1CCCCC(=O)N1)N=c1cc[nH]c(C#N)n1 1098273934 IAUBZWHDYXBUGA-GHMZBOCLSA-N 316.365 -0.254 30 20 DBED C[C@@H](CNC(=O)c1cc(=O)n(C)cn1)N=c1cc[nH]c(C#N)n1 1098362934 KJFNBERZKTYMDZ-VIFPVBQESA-N 313.321 -0.906 30 20 DBED C=CCOCC(=O)N1CC[C@H](n2cc(CNC[C@H](C)O)nn2)C1 1098637129 IBWGSJCNTUUKET-JSGCOSHPSA-N 323.397 -0.276 30 20 DBED C#CCNCc1cn(-c2cccc(CNC(=O)C(N)=O)c2)nn1 1099605502 ZVTULQXQLNQRRB-UHFFFAOYSA-N 312.333 -0.908 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2cc(C)n(C)n2)[C@@H](O)C1 1099704833 RHIACSMQEOAUDS-ZFWWWQNUSA-N 320.393 -0.457 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)CCCOC)[C@H](O)C1 1099704980 TXGWDPUYFHABEN-QWHCGFSZSA-N 313.398 -0.733 30 20 DBED C#CCOCCC(=O)N[C@H]1CCN(Cc2nnc(C)o2)C[C@@H]1O 1099832435 HIDIKSQAOYXSBL-STQMWFEESA-N 322.365 -0.531 30 20 DBED C=C(Cl)CN1CC[C@H](NC(=O)C(C)(C)C(N)=O)[C@@H](O)C1 1099882427 RMOUUGPLHDPRBT-UWVGGRQHSA-N 303.790 -0.198 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CCc2cncnc2)[C@@H](O)C1 1099916241 KTHYMTLDGJYMOZ-CABCVRRESA-N 302.378 -0.016 30 20 DBED N#CCN1CC[C@@H](NC(=O)CCNC(=O)C2CCC2)[C@H](O)C1 1100032480 WETADODPFPNEGN-CHWSQXEVSA-N 308.382 -0.632 30 20 DBED C=CCCN1CC[C@@H](NC(=O)CS(=O)(=O)C(C)C)[C@H](O)C1 1100116363 WRTVXWBSAPYPRW-CHWSQXEVSA-N 318.439 -0.063 30 20 DBED CN(CCNC(=O)c1cc(=O)n(C)cn1)c1cncc(C#N)n1 1100390140 YHUKZYIGBQRNPE-UHFFFAOYSA-N 313.321 -0.692 30 20 DBED CCN(CCNC(=O)C[C@H]1CCC(=O)N1)c1ccnc(C#N)n1 1100568438 HBJRUJDZDWDZRS-LLVKDONJSA-N 316.365 -0.041 30 20 DBED CCCN(CCNC(=O)[C@@H]1CNC(=O)N1)c1cnc(C#N)cn1 1101235705 DIFSOMRDNXNHPQ-NSHDSACASA-N 317.353 -0.638 30 20 DBED N#Cc1nccc(N(CCNC(=O)[C@@H]2COCCO2)C2CC2)n1 1101285754 UJVQNMUPHFMBBA-LBPRGKRZSA-N 317.349 -0.151 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1101946617 AYOZZYGIGGEGBF-ZIAGYGMSSA-N 304.394 -0.030 30 20 DBED C=CCCN1C[C@@H](C)[C@H](CNC(=O)CN2C(=O)CNC2=O)C1 1102560747 LOMLHRSXMFPNDV-VXGBXAGGSA-N 308.382 -0.202 30 20 DBED CC[C@@H](CNC(=O)CS(C)(=O)=O)Nc1cncc(C#N)n1 1102997371 JKQMXWGTDCXFHF-VIFPVBQESA-N 311.367 -0.300 30 20 DBED C[C@H](CNC(=O)[C@H]1COCCO1)CNc1nccnc1C#N 1103877817 HNXKJOWPQZFBPR-CMPLNLGQSA-N 305.338 -0.072 30 20 DBED CN1CCCC[C@H]1C(=O)N1CC(n2cc(CNCC#N)nn2)C1 1105270722 JLKOYEIEPZUKSZ-AWEZNQCLSA-N 317.397 -0.241 30 20 DBED CN(CCN(C)c1nccnc1C#N)C(=O)C(C)(C)C(N)=O 1105490085 AHZCBZMYGOCHIO-UHFFFAOYSA-N 304.354 -0.246 30 20 DBED COCCCC(=O)NC[C@H](O)CN=c1cc(C)[nH]cc1C#N 1105722755 XMFAVWMXEXCGMS-CYBMUJFWSA-N 306.366 -0.001 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H](O)CNC(=O)c1cnsn1 1105723741 VMDPRKGMKGAQQU-VIFPVBQESA-N 304.335 -0.571 30 20 DBED Cc1cc(C(=O)NC[C@H](O)CNc2cnc(C#N)cn2)n[nH]1 1105725281 IVIYJGGZCPEDMV-SNVBAGLBSA-N 301.310 -0.417 30 20 DBED CCNC(=O)CC(=O)NC[C@@H](O)CNc1ccc(C#N)nc1 1105794753 LGAQXJRHGMTSFH-LBPRGKRZSA-N 305.338 -0.632 30 20 DBED C=CCCCC(=O)NC[C@@H](O)CNc1nccn2nnnc12 1106072214 AVSNRHQKFPEQKW-SNVBAGLBSA-N 305.342 -0.235 30 20 DBED C[C@@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)C[C@H]1CCC(=O)N1 1106376460 ZPAUXUPRJSYJRP-WDEREUQCSA-N 316.365 -0.254 30 20 DBED CCN(CCNc1nccnc1C#N)C(=O)Cn1cncn1 1106770323 DEXDNBUSVJQVHI-UHFFFAOYSA-N 300.326 -0.100 30 20 DBED COCC#CCN1CC(n2cc(CNC(=O)[C@H](C)OC)nn2)C1 1107139317 OMZKLHBAUYPQQI-LBPRGKRZSA-N 321.381 -0.564 30 20 DBED Cc1cc(=NC/C=C/CNC(=O)[C@H]2CNC(=O)N2)c(C#N)c[nH]1 1107492561 NHVFNTKTESZEHV-YWVDXFKGSA-N 314.349 -0.551 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@]1(C)CN(CC(=O)NCC2CC2)CCO1 1107819181 MEPUDGGQNXUNIV-LRDDRELGSA-N 322.409 -0.121 30 20 DBED C[C@H](CNc1ncccc1C#N)NC(=O)CCn1cnnn1 1107891296 VGBPWZPIDXHIJR-SNVBAGLBSA-N 300.326 -0.053 30 20 DBED C[C@H](CNc1ccc(C#N)nn1)NC(=O)CN1CCCNC1=O 1108208545 LTSAEJMMZKLLEU-SNVBAGLBSA-N 317.353 -0.320 30 20 DBED Cc1cc(C#N)nc(NC[C@H](C)NC(=O)Cn2cnnn2)n1 1108247371 PAVUAZJYCPXUGV-VIFPVBQESA-N 301.314 -0.740 30 20 DBED C=CCCCN1CC(N2C[C@H](NC(=O)c3cnn[nH]3)CC2=O)C1 1108555204 ICTRAFIOJALLFO-LLVKDONJSA-N 318.381 -0.214 30 20 DBED CCC[C@H](OC)C(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1 1108560567 LDDSPSRFQZJTOE-AAEUAGOBSA-N 308.382 -0.274 30 20 DBED C[C@H](CN(C)c1nccnc1C#N)NC(=O)CN1CCCC1=O 1108851496 YZTBFSQEIIUBQI-LLVKDONJSA-N 316.365 -0.088 30 20 DBED C[C@@H](CN(C)c1nccnc1C#N)NC(=O)C(=O)NCC1CC1 1109060388 COIMGMDCDDNDGB-JTQLQIEISA-N 316.365 -0.185 30 20 DBED C[C@@H](CN(C)c1cnc(C#N)cn1)NC(=O)[C@H]1C[C@H]1C(N)=O 1109235685 GQJNYCTUSMPJBL-GDPRMGEGSA-N 302.338 -0.589 30 20 DBED CC(C)OCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1110356459 HRVZJYIBRDBDQI-UPJWGTAASA-N 308.382 -0.227 30 20 DBED C#CCNC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cnn[nH]1 1110761354 SQEDJXISRFGJJX-UZWSLXQKSA-N 316.365 -0.722 30 20 DBED N#Cc1cncc(NCCN(CCO)C(=O)c2cnsn2)n1 1111425587 ONCXCQANTWNTTQ-UHFFFAOYSA-N 319.350 -0.254 30 20 DBED CC(=O)NCC(=O)N1C[C@@H](C)OC2(CCN(CC#N)CC2)C1 1111533869 OWAYMWYQJGEQAU-GFCCVEGCSA-N 308.382 -0.272 30 20 DBED C[C@@H](CNC(=O)c1ncn(C)n1)N(C)c1cnc(C#N)cn1 1113582389 GLBFDGPDTKVRQS-VIFPVBQESA-N 300.326 -0.269 30 20 DBED C[C@@H](CNC(=O)CCn1cnnn1)N(C)c1ncccc1C#N 1113685826 JYGREHMHICCREZ-NSHDSACASA-N 314.353 -0.029 30 20 DBED CS[C@H](C)CC(=O)NC1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]12 1114156653 ZYZNNCZRZGWECT-GMTAPVOTSA-N 310.423 -0.186 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@@H]2CN(C[C@H]3CCCOC3)C[C@@H]12 1114160240 UKTUMTGVUZUZOI-MGPQQGTHSA-N 319.405 -0.401 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@H]2CN(Cc3cnoc3C)C[C@H]12 1114160312 VXMBILFBMPKQQO-STQMWFEESA-N 316.361 -0.331 30 20 DBED N#Cc1nc(=NC[C@H]2C[C@H](NC(=O)CCNC(N)=O)C2)cc[nH]1 1114769137 DHAYMORDVFHMNK-MGCOHNPYSA-N 317.353 -0.865 30 20 DBED Cc1cc(C(=O)NC2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]23)ccn1 1114995228 WHLNXANNOHLADG-CHWSQXEVSA-N 313.361 -0.310 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)CCN(C)CC)[C@H]2C1 1115080778 DSFHMOWCHIMWSN-NYTXWWLZSA-N 320.437 -0.488 30 20 DBED C#CCCN1C[C@H]2[C@H](NC(=O)CNC(=O)c3cscn3)[C@H]2C1 1115083858 SPWAJNFIWZKJBV-YABSGUDNSA-N 318.402 -0.057 30 20 DBED C=C[C@@H](C)NC(=O)C(=O)Nc1cnn(CC(=O)NCCOC)c1 1116280145 XWBPGCOZSUEMPX-SNVBAGLBSA-N 323.353 -0.725 30 20 DBED C[C@@H](NC(=O)C(=O)N1CCO[C@@H](C#N)C1)C(C)(C)CN(C)C 1117440113 LTVWGEICHLBBGQ-NEPJUHHUSA-N 310.398 -0.170 30 20 DBED CCC(=O)N[C@@H](C)C(=O)N(C)C[C@H](C)N=c1cc[nH]c(C#N)n1 1120799685 GPGOTJCDDWFGBH-QWRGUYRKSA-N 318.381 -0.056 30 20 DBED N#Cc1nccnc1N[C@H](CO)CNC(=O)Cc1cc[nH]n1 1121399840 QVMMRCZJTXXYCM-JTQLQIEISA-N 301.310 -0.797 30 20 DBED COC[C@@H](C)CC(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1 1121984978 NNSVMDLCHRHPTG-QWRGUYRKSA-N 307.354 -0.668 30 20 DBED COC1CC(C(=O)NC[C@@H](CO)Nc2cncc(C#N)n2)C1 1122176801 BOMWPDWHOFEUEJ-ZYXZCXLHSA-N 305.338 -0.338 30 20 DBED CCN(C)C(C)(C)C(=O)NC[C@H](CO)N=c1cc[nH]cc1C#N 1122189385 FTRSQDIELTYRFW-CYBMUJFWSA-N 319.409 -0.006 30 20 DBED CC#CCCCC(=O)NC[C@@H](CO)Nc1nccn2nnnc12 1122371398 AWXVJZGDUQPBGA-NSHDSACASA-N 317.353 -0.398 30 20 DBED CN1C(=O)CC[C@@H]1C(=O)NC[C@@H](CO)Nc1ncccc1C#N 1122391920 URNGSWXHWWWAPM-NWDGAFQWSA-N 317.349 -0.537 30 20 DBED N#Cc1nc(N[C@@H](CO)CNC(=O)C(N)=O)sc1Cl 1122458596 SYWPNNLBNFIFPV-SCSAIBSYSA-N 303.731 -0.958 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H](CO)CNC(=O)CCc1cnn[nH]1 1122584679 KGBADPQPSRRFNY-GFCCVEGCSA-N 315.337 -0.985 30 20 DBED CN(C)C(=O)CC(=O)N(C)C[C@@H](O)CNc1cncc(C#N)n1 1124797673 GWYMIHUZBXBKCG-NSHDSACASA-N 320.353 -0.942 30 20 DBED C#CCCCC(=O)NCCNCC(=O)N[C@@H](C)C(=O)N(C)C 1126355541 BNRHBYJGTBPULS-LBPRGKRZSA-N 310.398 -0.911 30 20 DBED C#CCOCCC(=O)NCCNC[C@@H]1CCS(=O)(=O)C1 1127031565 IIVVPHODLVSNEI-LBPRGKRZSA-N 302.396 -0.833 30 20 DBED CN(CCOCCN=c1cc[nH]c(C#N)n1)C(=O)[C@H]1CCCO1 1127170563 SDLNUIOUIPOAIB-GFCCVEGCSA-N 319.365 -0.164 30 20 DBED C=C(C)[C@@H](CC(=O)NCCNCC(=O)NC(N)=O)OCC 1128527646 BGCFDHKTNYKHAM-SNVBAGLBSA-N 300.359 -0.742 30 20 DBED N#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)CC[C@H]2CCOC2)C1 1128892032 YFHBUHFPGFHBLL-MJBXVCDLSA-N 318.381 -0.040 30 20 DBED C#CCCN[C@@H]1CN(C(=O)[C@H]2CCCO2)C[C@@H]1n1ccnn1 1129553138 QGRYUXWLWHDCFL-HZSPNIEDSA-N 303.366 -0.178 30 20 DBED C=C(C)CN(CC)C(=O)CNCCNC(=O)[C@H]1CCNC1=O 1132358378 CNNCCWFTQMSRHU-LBPRGKRZSA-N 310.398 -0.747 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)c2cnon2)CC[C@@H]1C 1132368484 NWZGWEKVKGDAJL-QWRGUYRKSA-N 307.354 -0.046 30 20 DBED C#CCNC[C@@H]1CN(C(=O)CCn2ncn(C)c2=O)CC[C@@H]1C 1132996524 BWXFAEAVOHOPJD-UONOGXRCSA-N 319.409 -0.321 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)CNC(=O)C1CC1)NCC(=O)NCC#N 1133774745 QZIINTRORKMZAX-WDEREUQCSA-N 323.397 -0.975 30 20 DBED C[C@@H](C[C@H](C)NC(=O)CCc1cnc[nH]1)NCC(=O)NCC#N 1134545942 UCPDYIOIUUVWPQ-RYUDHWBXSA-N 320.397 -0.145 30 20 DBED C[C@@H](C[C@H](C)NC(=O)c1csnn1)NCC(=O)NCC#N 1135100802 GHHQLWLJFKJQDK-IUCAKERBSA-N 310.383 -0.336 30 20 DBED Cc1noc(Cl)c1CC(=O)NCCNCC(=O)NCC#N 1135280739 KCQBZKIJWBIXMA-UHFFFAOYSA-N 313.745 -0.476 30 20 DBED C=CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)CC(=O)N(C)C 1135636487 VKHLZSWANTZWJM-RYUDHWBXSA-N 312.414 -0.360 30 20 DBED CCCN(C)CC(=O)N[C@H](C)C[C@H](C)NCC(=O)NCC#N 1135975808 COQDAEXVUTUQLR-QWHCGFSZSA-N 311.430 -0.159 30 20 DBED N#CCSCC(=O)N1CC2(CCN([C@H]3CCNC3=O)C2)C1 1147031550 ZCBNKHBGTGWBBI-NSHDSACASA-N 308.407 -0.334 30 20 DBED C=CCCOCC(=O)N1CC2(CCN(Cc3nnn(C)n3)C2)C1 1148893979 ZBDUTJXTQCUXOZ-UHFFFAOYSA-N 320.397 -0.163 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(Cc2nc(O)n[nH]2)CCCO1 1149693976 FSBQOPIYMFIPCO-GFCCVEGCSA-N 319.365 -0.369 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)CC(=O)NCC2CC2)C1 1150571495 JDEXYHFSHUPVHG-AWEZNQCLSA-N 307.394 -0.257 30 20 DBED CC#CCN(CC)[C@H](C)CNC(=O)CN1CCC(=O)NC1=O 1156233781 MVFDUIUQRKRJFO-GFCCVEGCSA-N 308.382 -0.222 30 20 DBED C=CCO[C@H](C)C(=O)NC[C@@H](C)N(CC)CC(=O)NC(N)=O 1157217324 NJQPGGBOWMSNAY-GHMZBOCLSA-N 314.386 -0.401 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@H]1CCO[C@@H]1C(C)C 1159607712 QYXOJXNRAQVOBN-DZGCQCFKSA-N 309.410 -0.107 30 20 DBED C#CCNC(=O)CNCCCNC(=O)CCc1cccnc1 1161930708 BASUOLAZKSAUBQ-UHFFFAOYSA-N 302.378 -0.141 30 20 DBED C=CCNC(=O)CNCCCNC(=O)c1ccn(CCOC)n1 1162264816 WLAIWMNODRZDRD-UHFFFAOYSA-N 323.397 -0.459 30 20 DBED C#CCNC(=O)CNCCCNC(=O)Cc1c(C)noc1C 1175875768 PANBPNDICGBIIW-UHFFFAOYSA-N 306.366 -0.321 30 20 DBED C#CCNC(=O)CNCCCC[C@@H](C)NC(=O)Cc1nc[nH]n1 1176097155 VSCGAIMQJNROGU-GFCCVEGCSA-N 320.397 -0.639 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)CCc2ccncc2)C1 1183860017 HGQFDWDTOCOJSG-OAHLLOKOSA-N 314.389 -0.046 30 20 DBED CC#CCN(C)[C@H]1CCN(C(=O)CN(C)CC(=O)NC(C)C)C1 1191145751 YFBFKIKOFZLFTQ-HNNXBMFYSA-N 322.453 -0.001 30 20 DBED CCCCCCCN1C[C@@H](O)[C@H](NC(=O)Cn2ncnn2)C1 1193005605 RAOHOGGYFJTUGZ-CHWSQXEVSA-N 310.402 -0.195 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC(N[C@@H](C)c2nnnn2C)CC1 1200532366 PLQOKZZBZGZPGM-RYUDHWBXSA-N 320.397 -0.110 30 20 DBED C#CCCN[C@H]1C[C@H](NC(=O)CN2C(=O)CNC2=O)C12CCC2 1203694392 FKCMXDRXTDCLAE-RYUDHWBXSA-N 318.377 -0.422 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 1207685145 XLXIMNOIASFTMZ-KBPBESRZSA-N 306.410 -0.589 30 20 DBED CC(C)C#CC(=O)N1CCC[C@H](NCCN2C(=O)CNC2=O)C1 1208005448 GSXADKDCUMKWMY-ZDUSSCGKSA-N 320.393 -0.222 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 1209737324 RPQLJAOTIASETE-TUVASFSCSA-N 319.405 -0.116 30 20 DBED Cc1cnoc1C(=O)N1CCC[C@@H](NCC(=O)NCC#N)C1 1210457592 VEOTWGUPTZTSMP-LLVKDONJSA-N 305.338 -0.183 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)[C@H](C)OCC=C)[C@H](C)C1 1211425344 LJHOCCSHCRAPLF-HZSPNIEDSA-N 307.394 -0.237 30 20 DBED C=CCCCN1C[C@@H](NC(=O)Cn2cnnc2O)[C@H](OC)C1 1212141036 BNFINQCTZURZPU-VXGBXAGGSA-N 309.370 -0.235 30 20 DBED CO[C@@H]1CN([C@@H]2CCN(C)C2=O)C[C@H]1NC(=O)C#CC1CC1 1212251311 WPAYUHYTMAOSDW-MGPQQGTHSA-N 305.378 -0.554 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2n[nH]c(C)n2)C[C@H]1OC 1212262476 PLCWHQLLLAGYQN-CHWSQXEVSA-N 321.381 -0.532 30 20 DBED C#CCN1C[C@@H](NC(=O)CNC(=O)c2ccccn2)[C@H](OC)C1 1213906015 XRFZWPFGYIIWQZ-ZIAGYGMSSA-N 316.361 -0.740 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)c2cccnc2)C[C@H]1C 1214046911 MNSYYKOLQYBSDV-TZMCWYRMSA-N 300.362 -0.119 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H](COC)OC)C[C@H]1C 1215492940 FFRZJVIVWLJQNI-JHJVBQTASA-N 313.398 -0.614 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)CCOC 1217165379 FRTNIIRIZDFHCQ-QWHCGFSZSA-N 311.382 -0.763 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)CCCC(=O)NC)C1 1219497107 CLUCEOIIKUBKDG-MNOVXSKESA-N 303.790 -0.184 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)c2cnco2)C1 1220097481 PEZKUQZMWFQKCU-AXFHLTTASA-N 308.338 -0.860 30 20 DBED C=C(C)C[C@H](C)C(=O)N[C@@H]1CN(Cc2nnn(C)n2)C[C@@H]1O 1220201469 QYGVVUKBSPKYCE-TUAOUCFPSA-N 308.386 -0.526 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@H](C(C)C)N2CCCC2=O)C1 1221164556 LWROEQXPNDZZGG-YCPHGPKFSA-N 321.421 -0.182 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)c2cc(CC)n(C)n2)C1 1221176191 PJUXSIXJCCDQTQ-CABCVRRESA-N 322.409 -0.040 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)[C@@H](C)n2cncn2)CC1 1226905791 HWFHKBVWZNAJLK-GFCCVEGCSA-N 318.381 -0.831 30 20 DBED C#CCCN1CCS(=O)(=O)[C@@H](CCNC(=O)COCC)C1 1230413640 TYILJGRSCAPLGX-ZDUSSCGKSA-N 316.423 -0.349 30 20 DBED Cn1cc(CCCNC(=O)C(=O)N2CC[C@@](F)(C#N)C2)cn1 1258040981 PHNIJVRMWXGNAV-CQSZACIVSA-N 307.329 -0.067 30 20 DBED C=CCn1c(C(N)=O)nnc1N1CCN(C[C@H]2CCCO2)CC1 1262947738 SKZPMJOUQLAHLN-GFCCVEGCSA-N 320.397 -0.136 30 20 DBED C#CCOCCNC(=O)C(=O)N[C@@H]1CCC[C@H](C(=O)N(C)C)C1 1323259528 AJKOSWCDTBCVRU-QWHCGFSZSA-N 323.393 -0.484 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)N2CCCN3CCC[C@H]3C2)C1 1326249089 MOXVNSNRXWTNED-BBRMVZONSA-N 320.393 -0.440 30 20 DBED CCN(CCOCCO)C(=O)C(=O)Nc1cccc(C#N)n1 1326821443 SUDBHHWMGMQSFK-UHFFFAOYSA-N 306.322 -0.251 30 20 DBED Cc1nnc([C@H](C)NC(=O)C(=O)N2CCO[C@@H](C#N)C2)s1 1327259282 QEZUOMIRPXTULH-CBAPKCEASA-N 309.351 -0.225 30 20 DBED C#Cc1cccc(CNC(=O)C(=O)N2CCOC[C@@H]2CCO)c1 1334295160 ZNLWLCQPWLGJQR-HNNXBMFYSA-N 316.357 -0.106 30 20 DBED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H]1CCN(C(C)=O)C1 1334685604 YQLLDSVSTLHDAJ-BFHYXJOUSA-N 323.393 -0.179 30 20 DBED C#CCNCC(=O)N[C@H]1CCCN(CCN2CCOCC2)C1 1341607608 MTFVGXSYJYUXHO-HNNXBMFYSA-N 308.426 -0.878 30 20 DBED C#C[C@@H](CC)NC(=O)C(=O)Nc1ccc(=O)n(CCOC)c1 1343623181 YNCRZHXGXIDYHH-NSHDSACASA-N 305.334 -0.039 30 20 DBED C#CC[C@H](NC(=O)Cn1nc2n(c1=O)CCCCC2)C(=O)OC 1344547430 YFZBTQQDFWWZBZ-NSHDSACASA-N 320.349 -0.548 30 20 DBED C=CC1CCN(C(=O)C(=O)N2CCO[C@H](C(=O)OC)C2)CC1 1344756988 NEQLEXFYRUJTFV-LBPRGKRZSA-N 310.350 -0.189 30 20 DBED C[C@@H]1CN2CCN1C[C@H]2C(=O)NCCNc1ncccc1C#N 1345679324 CKXRJNLQUBREAW-OCCSQVGLSA-N 314.393 -0.130 30 20 DBED COCCOCCNC(=O)C(=O)NCc1ccc(C#N)cc1 1345747532 JNOMDIMSARBAMA-UHFFFAOYSA-N 305.334 -0.046 30 20 DBED COCC#CC(=O)N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1347380883 PMZQELBBCPYIMB-GFCCVEGCSA-N 303.380 -0.312 30 20 DBED C[C@@]1(C(N)=O)CCN(C(=O)C(=O)Nc2ccc(C#N)cn2)C1 1347669515 YCAQXPCTRSRPOY-CQSZACIVSA-N 301.306 -0.384 30 20 DBED CN1CCC(CNC(=O)Cn2cc(C#N)c(O)nc2=O)CC1 1362009207 CYEUUPOYHPHJHT-UHFFFAOYSA-N 305.338 -0.721 30 20 DBED COC[C@]1(CO)CCN(C(=O)NCCn2cnc(C#N)n2)C1 1364606998 LMMINESERYBAMF-CYBMUJFWSA-N 308.342 -0.810 30 20 DBED C[C@H](CN(C)CCS(C)(=O)=O)NC(=O)c1cc(C#N)c[nH]1 1375026779 VTKKJRJXQSDJCA-SNVBAGLBSA-N 312.395 -0.019 30 20 DBED C[C@H](C#N)C(=O)NC1CN(C(=O)Cc2nc(C3CC3)nn2C)C1 1389407312 QTDVDBHETZVPGW-SECBINFHSA-N 316.365 -0.278 30 20 DBED COCCN(CCNC(=O)[C@H](C)C#N)C(=O)Cn1cc(C)cn1 1396173649 QKPYFISZEXPQDX-CYBMUJFWSA-N 321.381 -0.058 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CCN(C(=O)c2cn(C)c(=O)n2C)C1 1396941691 GJCQNNPUAQTALU-VHSXEESVSA-N 305.338 -0.786 30 20 DBED CCNC(=O)CCC(=O)NCCN(C)C(=O)c1cc(C#N)c[nH]1 1397889768 YUJHHGBPJJWTOD-UHFFFAOYSA-N 319.365 -0.009 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C)C(=O)c1ccn2nnnc2c1 1398011633 MXAXVOLVDYNLCY-VIFPVBQESA-N 301.310 -0.528 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNCc1nnc2n1CCCC2 1401506563 SFOQZNNHALAEFJ-WDEREUQCSA-N 306.370 -0.659 30 20 DBED CCNC(=O)CCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)C#N 1409190695 XRNWZAMCNFMANR-SRVKXCTJSA-N 306.366 -0.126 30 20 DBED COc1ncc(NC(=O)c2cn(C)c(=O)n(C)c2=O)cc1C#N 1411544612 NEOWHVBMJOSLTK-UHFFFAOYSA-N 315.289 -0.388 30 20 DBED C[C@H](CNC(=O)Cn1ccccc1=O)CNC(=O)[C@@H](C)C#N 1416475049 SXGOZMXXBSMESN-NEPJUHHUSA-N 304.350 -0.124 30 20 DBED COc1coc(C(=O)NCCN(C)C(=O)[C@@H](C)C#N)cc1=O 1431377537 RDJUQWUWQQYPLD-VIFPVBQESA-N 307.306 -0.004 30 20 DBED COC(=O)C1(NC(=O)[C@H](C)n2cnc(C#N)n2)CCOCC1 1433485510 XKTYSPHOGNCANW-VIFPVBQESA-N 307.310 -0.451 30 20 DBED CNS(=O)(=O)CCNC(=O)Nc1cnc(OC)c(C#N)c1 1434748370 MAOKDFQUHFUOJV-UHFFFAOYSA-N 313.339 -0.367 30 20 DBED CCC(=O)NCC(=O)NC[C@@H](O)CNCc1ccc(C#N)cc1 1438977483 CDGLZAOGMZJCGN-AWEZNQCLSA-N 318.377 -0.349 30 20 DBED Cc1cnc(CNC(=O)Cn2cc(C#N)c(O)nc2=O)s1 1444248110 VXVPMYWTBDYERA-UHFFFAOYSA-N 305.319 -0.098 30 20 DBED CN(C[C@H](O)CNC(=O)c1cc[nH]n1)C(=O)c1cc(C#N)c[nH]1 1444613367 JLVSPQKSIDSRPP-SNVBAGLBSA-N 316.321 -0.528 30 20 DBED CO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1NC(=O)CN(C)C1CCC1 1452720749 LKIQQAWLSPASQC-IACUBPJLSA-N 322.409 -0.028 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CCCOCC2)C1 1491721428 JCBKVLBIONBSQL-KGLIPLIRSA-N 307.394 -0.257 30 20 DBED CCN(CCNC(=O)[C@H](C)C#N)C(=O)CN1CCCNC1=O 1496940024 ZBQBBYMBULTJFB-LLVKDONJSA-N 309.370 -0.474 30 20 DBED C[C@H](C#N)C(=O)NCC1CN(C(=O)C[C@H]2CCCC(=O)N2)C1 1530881294 WVNLNKGXLAQLHU-ZYHUDNBSSA-N 306.366 -0.221 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3C(=O)O)C2)[nH]1 1571129072 WTMOFXUGQILSJX-GWOFURMSSA-N 316.317 -0.016 30 20 DBED C#CC[C@@H](NC(=O)c1cccn(CC(=O)O)c1=O)C(=O)OC 1573318341 NRXANPFTSIPCSU-SNVBAGLBSA-N 306.274 -0.772 30 20 DBED N#Cc1cn(CCC(=O)N2CCC[C@H](C(=O)O)C2)c(=O)nc1O 1574248388 ITBDXFFDAYBBQC-VIFPVBQESA-N 320.305 -0.466 30 20 DBED CC[C@H]1NCC[C@H]1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1577304046 IQUYFQAGRTUDJU-FMCLSXCISA-N 311.407 -0.229 30 20 DBED C[C@]1(C(=O)O)CCN(C(=O)C(=O)N2CCO[C@@](C)(C#N)C2)C1 1589181284 DONHYQIUXUXJQH-KBPBESRZSA-N 309.322 -0.549 30 20 DBED CO[C@]1(C(=O)O)CCN(C(=O)C(=O)N2CC[C@](C)(C#N)C2)C1 1599068393 XWJNMEJCQMEESF-ZIAGYGMSSA-N 309.322 -0.549 30 20 DBED C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)nc2)C[C@@H](C(=O)O)O1 1599868437 QKUZIAGXOCGXLO-KCJUWKMLSA-N 311.319 -0.184 30 20 DBED N#CC1(CC(=O)N2CCC[C@@H]2C(=O)NCC(=O)O)CCOCC1 1601053678 ODDKNMLLFKJWLV-LLVKDONJSA-N 323.349 -0.111 30 20 DBED N#Cc1ccccc1OC[C@H](O)CN1CC[C@@](O)(C(=O)O)C1 1608219106 JUETVRBMGJLYQV-DOMZBBRYSA-N 306.318 -0.181 30 20 DBED C=CCNC(=O)CN(C)CCNC(=O)c1ccnc2[nH]nnc12 1753054341 JZPNUFYPOGEXPF-UHFFFAOYSA-N 317.353 -0.683 30 20 DBED C#CCN1CC[C@@H](N(CCC)C(=O)CN2CCNC(=O)C2)C1 1753318021 ALCHPHPRTCFWPN-CQSZACIVSA-N 306.410 -0.636 30 20 DBED CC(C)C#CC(=O)NCC1CN(CCCN2C(=O)CNC2=O)C1 1753401784 RCVXYXKDOGGKIC-UHFFFAOYSA-N 320.393 -0.364 30 20 DBED C=CCCOCC(=O)N(C)[C@@H]1CCN([C@H]2CCC(=O)NC2=O)C1 1753449191 DPNFSXCWSYZXOY-OLZOCXBDSA-N 323.393 -0.083 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H]1CN(Cc2n[nH]c(C)n2)CCO1 1753648749 MJKYGCPGUNBYNE-YPMHNXCESA-N 321.381 -0.532 30 20 DBED COCC#CCNC[C@@H](C)N(C)C(=O)CS(=O)(=O)C(C)C 1753726362 KWMUNLXIRBUWOB-CYBMUJFWSA-N 318.439 -0.104 30 20 DBED C[C@H](CNCC(=O)NCC#N)NC(=O)[C@@H]1CCn2cncc2C1 1754232036 VQARLHSTBKBLIX-VXGBXAGGSA-N 318.381 -0.820 30 20 DBED C#CCNCCCN(C)C(=O)C[C@@]1(C)CCS(=O)(=O)N1 1754411458 OFHCGJKGTKUKHY-CYBMUJFWSA-N 301.412 -0.470 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)CNC(=O)OC)[C@H](C)C1 1754590040 JWDWSIPBFBMUCJ-VXGBXAGGSA-N 324.381 -0.939 30 20 DBED C#CCNC(=O)CNC[C@@]1(C)CCN(C(=O)CCOCC)C1 1754691166 VNTQKUIESVJBTP-MRXNPFEDSA-N 309.410 -0.009 30 20 DBED C#Cc1ccc(C(=O)N2CCO[C@H](CN[C@H](C)C(N)=O)C2)cc1 1755006785 GQSCHEZCPVBPNE-IUODEOHRSA-N 315.373 -0.028 30 20 DBED COCC#CCN1CCC[C@H](NC(=O)[C@H](C)NC(N)=O)CC1 1755021811 IVGDMSNUKXACDJ-STQMWFEESA-N 310.398 -0.336 30 20 DBED Cc1nc(CNCC2(O)CCN(C(=O)C#CC3CC3)CC2)n[nH]1 1755148706 GIPQXJSVVMCCFM-UHFFFAOYSA-N 317.393 -0.030 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H]1C[C@H](NC(=O)[C@H]2CCN(C)C2)C1 1756252248 WENQKTRJRBCJOG-APIJFGDWSA-N 321.421 -0.013 30 20 DBED CC(C)C#CC(=O)NC[C@@H](CO)NC(=O)c1cnn2c1CCC2 1756517293 GZLNMISEDMDMNE-LBPRGKRZSA-N 318.377 -0.304 30 20 DBED CC(C)(C)C#CC(=O)N[C@H](CO)CNC(=O)COCC(F)F 1756536834 RHXGRYJTVOYNJW-JTQLQIEISA-N 320.336 -0.089 30 20 DBED C#CCOCCC(=O)N1C[C@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2CC)C1 1757214110 WKQNUIARUUXXPY-SYQHCUMBSA-N 308.378 -0.240 30 20 DBED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@H](C)NC=O)C2 1841601860 FXWHOEXWFOYYPD-QWHCGFSZSA-N 321.377 -0.637 30 20 DBED CCOC(=O)N[C@H](O)C(=O)N1CC2(CCCN2C(=O)CC#N)C1 1842622453 OFSQUTIECONVDN-LLVKDONJSA-N 324.337 -0.832 30 20 DBED N#CC1(C(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)CC1 1842809024 FDTDIHUIZPSFSH-UHFFFAOYSA-N 301.302 -0.418 30 20 DBED C#CCCC(=O)N1CCCC12CN(C(=O)Cn1cnnn1)C2 1846995604 BEDSQUGNTNCHTR-UHFFFAOYSA-N 302.338 -0.710 30 20 DBED Cc1nnc(SCC(=O)N[C@@](C)(C#N)C(C)C)n(N)c1=O 2637813 HUOAONKAUAUFNX-LBPRGKRZSA-N 310.383 -0.193 30 20 DBED N#Cc1ccc(NC(=O)C(=O)N2CCO[C@@H](C(N)=O)C2)cc1 51891717 NATDUOUEGQTGDL-LLVKDONJSA-N 302.290 -0.791 30 20 DBED C#CCN1CCN(CN2C(=O)C(=O)N(C3CCCC3)C2=O)CC1 74171309 VBXUKXUISCAKLR-UHFFFAOYSA-N 318.377 -0.072 30 20 DBED Cc1cc(S(=O)(=O)NCC(=O)NCC(=O)O)ccc1C#N 235773385 CAJZRWIZVHSNMD-UHFFFAOYSA-N 311.319 -0.654 30 20 DBED C/N=C(/NCCN1CCC1)N1CCN(c2ncccn2)CC1 261759260 QXAMLZBSKJARBV-UHFFFAOYSA-N 303.414 -0.120 30 20 DBED CC(C)C/N=C(/NCC(=O)N(C)C)N1CCN2C(=O)CC[C@@H]2C1 262289649 KXFIFMSZYUZKIO-CYBMUJFWSA-N 323.441 -0.017 30 20 DBED CNS(=O)(=O)CC(=O)N1CCN(c2ccc(C#N)cn2)CC1 267548262 BTJXVRNMJWSGGP-UHFFFAOYSA-N 323.378 -0.849 30 20 DBED C=CCNC(=O)CN(CC(=O)NCC=C)CC(=O)NC1CC1 298455736 XCOPWARXZDRMBB-UHFFFAOYSA-N 308.382 -0.829 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)c2cccc(O)n2)CC1 318576727 CUBUQQDPZQVRPK-UHFFFAOYSA-N 304.350 -0.153 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCN(CCCO)CC1 330379753 TXHKTIRRFRVIPE-LBPRGKRZSA-N 304.416 -0.677 30 20 DBED CCS(=O)(=O)C[C@H](C)/N=C(/O)N1CCO[C@@H](CN(C)C)C1 330842505 MVBLCOGNLYERJG-RYUDHWBXSA-N 321.443 -0.014 30 20 DBED CCN(CCC/N=C(/O)N1CCO[C@H](CO)C1)S(C)(=O)=O 331195010 RPMXNONTOKQKKF-NSHDSACASA-N 323.415 -0.735 30 20 DBED CCC[C@H]1C(=O)NCCN1S(=O)(=O)N1CCO[C@H](C#N)C1 336953114 WIIKWIQQTNNPRL-MNOVXSKESA-N 316.383 -0.944 30 20 DBED C[C@H](C#N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC(N)=O 339940127 SCSBUIHCGDVNOY-YPMHNXCESA-N 316.361 -0.135 30 20 DBED C[C@H](C#N)NC(=O)c1ccc(S(=O)(=O)N(C)CCO)cc1 344532570 GBAAQUBBVVWGDF-SNVBAGLBSA-N 311.363 -0.059 30 20 DBED C[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N(C)C1CC1 349515695 HZVVNZIPEYWQJF-SNVBAGLBSA-N 323.440 -0.026 30 20 DBED CCN1CN(C(=O)C(=O)Nc2nn(C(C)C)cc2C#N)CC1=O 362275397 COZHSHKZMHFLNB-UHFFFAOYSA-N 318.337 -0.078 30 20 DBED CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@@H](O)[C@H]1C(=O)OC 372556828 KUODZCLVWLPZSJ-BZPMIXESSA-N 311.382 -0.007 30 20 DBED CNCCCNC(=O)C(=O)N1CC(Oc2ccc(C#N)cc2)C1 419844859 MGEKOEHMSSYNSD-UHFFFAOYSA-N 316.361 -0.126 30 20 DBED Cn1cc(N2CCN(C(=O)[C@H](N)CCCC#N)CC2=O)cn1 424125602 OEVFCOXBPMYJOC-GFCCVEGCSA-N 304.354 -0.384 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CCC[C@H]([C@H](C)N)C2)nn1 424537394 CDBLDOJLOQHVBX-RYUDHWBXSA-N 320.397 -0.334 30 20 DBED CCN(CCC#N)C(=O)CN(C)[C@@H]1CCN(S(C)(=O)=O)C1 428783237 JJNCEHLYQZWMHC-GFCCVEGCSA-N 316.427 -0.286 30 20 DBED C[C@@H]1OCC[C@]1(O)CNC(=O)CNC(=O)c1ccc(C#N)cc1 447736010 IQRWSBNJKYAEJF-ZBEGNZNMSA-N 317.345 -0.056 30 20 DBED C=CCC[C@H](NC(=O)Cn1ccc(=O)n(C)c1=O)C(=O)OCC 456630269 QDYUAXXGBQRMLH-NSHDSACASA-N 323.349 -0.439 30 20 DBED C#CCN1CCN(C(=O)CON=C(C)c2cnn(C)c2)CC1 490763520 TTZPFFQCWRIIAA-UHFFFAOYSA-N 303.366 -0.062 30 20 DBED C#CCN1CCN(C(=O)CN(C)[C@H](C)C(=O)NC(C)(C)C)CC1 491021717 NDDCYWDTKOJKCD-CQSZACIVSA-N 322.453 -0.001 30 20 DBED C#CCNC(=O)C1CCN(C(=O)NCCNC(=O)C(C)C)CC1 491068749 QPCZXMOTSBGFDR-UHFFFAOYSA-N 322.409 -0.070 30 20 DBED C#CCNC(=O)CN1CCN(CCNC(=O)NC(C)C)CC1 491202318 NPEPTRDYRVNKNU-UHFFFAOYSA-N 309.414 -0.939 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@H](CC(C)C)OC)CC1 491754897 WIGYLAZBCMPWID-AWEZNQCLSA-N 309.410 -0.059 30 20 DBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)CN(C)S(=O)(=O)N(C)C 566349163 NFICNMNHRMZKNI-AAEUAGOBSA-N 319.427 -0.178 30 20 DBED C=CCn1cc(CNC(=O)N2CCS(=O)(=O)C[C@H]2C)nn1 567734170 QYHIPTAKCRCAGU-SNVBAGLBSA-N 313.383 -0.207 30 20 DBED CC[C@@H](CC#N)NCC(=O)N1CCN(CC(=O)N(C)C)CC1 573134529 MHCHDNKTGDYUQH-ZDUSSCGKSA-N 309.414 -0.499 30 20 DBED Cc1cc(NC(=O)C(=O)N2CCNC(=O)C[C@H]2C)ncc1C#N 594290959 FUSQKNYHZPRIHR-SNVBAGLBSA-N 315.333 -0.063 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N1CC[C@@H]2NC(=O)CC[C@@H]2C1 594849434 LTHDCWKIOLDUSB-UTUOFQBUSA-N 314.411 -0.077 30 20 DBED COC(=O)COCCNC(=O)C(=O)Nc1cccc(CC#N)c1 600047253 SCPUYJWHKUNTNI-UHFFFAOYSA-N 319.317 -0.003 30 20 DBED N#CCCN1CCN(C(=O)C(=O)N2C[C@@H]3CC[C@H](C2)N3)CC1 601585330 UQBCCACJFGLIKS-BETUJISGSA-N 305.382 -0.993 30 20 DBED CC#CCNCc1cn(CC(=O)NCC(=O)N2CCCC2)nn1 640929417 BZPISVHGLJFQSN-UHFFFAOYSA-N 318.381 -0.870 30 20 DBED CC#CC[C@H](CO)NC(=O)N[C@H]1CCc2nc(COC)nn2C1 645361909 VHQCIMJGLXGDFQ-NWDGAFQWSA-N 321.381 -0.187 30 20 DBED C=CCN1CC[C@@H](N(C)[C@H]2CS(=O)(=O)C[C@H]2OC)C1=O 660463924 JSBDYIFEBQZRCQ-GRYCIOLGSA-N 302.396 -0.483 30 20 DBED N#Cc1c[nH]c(C(=O)OCC(=O)N2CCCC[C@@H]2C(N)=O)c1 748228921 ZVWGOPOKWIBDQB-LLVKDONJSA-N 304.306 -0.090 30 20 DBED C#C[C@@H](NC(=O)NCC(C)(C)NS(C)(=O)=O)[C@H]1CCCO1 773297298 SPSSLZCYTXDXFR-GHMZBOCLSA-N 317.411 -0.206 30 20 DBED C#CCNC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cn1 776062197 UNHIUMINSDSTLR-UHFFFAOYSA-N 324.362 -0.143 30 20 DBED C[C@@H](NC(=O)C(=O)NCCS(C)(=O)=O)c1cccc(C#N)c1 788402618 SCABSDSLLWSDGO-SNVBAGLBSA-N 323.374 -0.104 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)NCCN1C(=O)CSC1=O 800013112 VGHFKCWSFKJZJS-MRVPVSSYSA-N 320.396 -0.392 30 20 DBED C#CCNC(=O)CCN[C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O 819123699 ZZZPSHNCDRZMFR-DGCLKSJQSA-N 303.366 -0.357 30 20 DBED C=C(Br)CNC(=O)Cn1cnc(-c2nn[nH]n2)n1 819719098 ZJHCRDLKQAMWCX-UHFFFAOYSA-N 313.119 -0.517 30 20 DBED COc1ccc2c(c1)C(=NOCC(=O)NCC(=O)O)C(=O)N2 820853790 UDBVBVFJXMDCMY-UHFFFAOYSA-N 307.262 -0.431 30 20 DBED COC(=O)CN(CC#N)CC(=O)NC1(C(=O)O)CCCCC1 831164672 REVUTJLPTSTSLW-UHFFFAOYSA-N 311.338 -0.111 30 20 DBED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)[C@@H]2CC(=O)N2)C1 832164064 XYQCMDGNHNXWET-GUBZILKMSA-N 308.338 -0.250 30 20 DBED C#CCCN(CC(F)(F)F)C(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 832275974 JYDMBRJFCFZISB-GMTAPVOTSA-N 307.268 -0.187 30 20 DBED C=C[C@@H](C)ONC(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1 846547570 PAXKWNYFPGYRCA-RKDXNWHRSA-N 302.356 -0.291 30 20 DBED C#CC[C@@H](CCOC)NC(=O)N1CCC[C@@H](S(N)(=O)=O)C1 859019482 RLUAZFUMNSFOLJ-NWDGAFQWSA-N 317.411 -0.123 30 20 DBED C#CCOc1cccc(NC(=O)C(=O)N[C@@H]2COCC[C@H]2O)c1 874098415 HIYHZSYTKYIIPA-ZIAGYGMSSA-N 318.329 -0.097 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N[C@@H]1CCc2n[nH]cc2C1 875082810 HPVCRNDXPTXHRF-CHWSQXEVSA-N 318.377 -0.072 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N1C[C@@H](CO)O[C@H](C)C1 875596928 WPFHHFDDWBFPQG-UPJWGTAASA-N 312.366 -0.861 30 20 DBED CCC#CCOC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 893832901 HWYRZZJYAXTNDI-UHFFFAOYSA-N 304.306 -0.610 30 20 DBED CN(C)C(=O)COC1CN(S(=O)(=O)CC(C)(C)C#N)C1 914231688 QPRVVGZUXHLRRO-UHFFFAOYSA-N 303.384 -0.345 30 20 DBED CN(C(=O)C1CS(=O)(=O)C1)[C@H]1CCN(C(=O)C#CC2CC2)C1 937352586 JRFIAAJSSQOZSH-ZDUSSCGKSA-N 324.402 -0.496 30 20 DBED CN(C(=O)c1c[nH]c(=O)cn1)[C@H]1CCN(C(=O)C#CC2CC2)C1 937354551 UOZLCJYUTALECH-LBPRGKRZSA-N 314.345 -0.144 30 20 DBED CCN1CCO[C@H](C(=O)N2CCCN(C(=O)[C@@H](C)C#N)CC2)C1 941239081 WKBOJADCTKGAGK-KBPBESRZSA-N 322.409 -0.072 30 20 DBED COc1c[nH]c(C(=O)N[C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)cc1=O 941544049 GUGQPORADNPUOM-VHSXEESVSA-N 318.333 -0.126 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCCN(C(=O)CC(N)=O)C1 943544983 IDOGSDQAQHYNDH-UPJWGTAASA-N 323.393 -0.050 30 20 DBED C#CCN1CC[C@@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)[C@@H](C)C1 943986847 HEPFHXDZFNKVGW-NWDGAFQWSA-N 320.393 -0.223 30 20 DBED CO[C@@H](C)C(=O)N1CCO[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1 944558757 ULPNUWBEOCOVAH-CMPLNLGQSA-N 320.349 -0.122 30 20 DBED C#CCN1CC[C@H](NC(=O)CN2CCC(=O)NC2=O)C[C@@H]1C 947899488 KJVIWKULNWNESW-RYUDHWBXSA-N 306.366 -0.469 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(NC(=O)[C@H](C)N2CCOCC2)CC1 948110033 PTFMMQAWBGOREE-STQMWFEESA-N 322.409 -0.026 30 20 DBED C#CCN1CCC[C@@H](N(C)C(=O)Cn2cnc(C(N)=O)n2)CC1 948380963 AGOVKENDDWGJGZ-GFCCVEGCSA-N 318.381 -0.677 30 20 DBED CN1C[C@H](C(=O)N2CCC3(CC2)CN(CC#N)CCO3)CC1=O 949379168 QNLBNYSFWZIPQF-CYBMUJFWSA-N 320.393 -0.318 30 20 DBED C=CCN1CCOC2(CCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)C1 949472587 IGYPCRQJFVRLDD-OLZOCXBDSA-N 307.394 -0.013 30 20 DBED CN(C(=O)c1ccc(C#N)[nH]1)C1CN(C(=O)CS(C)(=O)=O)C1 954079856 KBHUFOUOMNPCKE-UHFFFAOYSA-N 324.362 -0.786 30 20 DBED C#CCCN1C[C@H](CNC(=O)c2cc(OCC)n[nH]2)[C@@H](O)C1 958176670 XIBXDHSLVNNMBB-AAEUAGOBSA-N 306.366 -0.146 30 20 DBED N#CCN1C[C@@H](O)[C@H](CNC(=O)c2cc(C(F)F)ncn2)C1 958179033 GLVFBDJQVNFJKY-LDYMZIIASA-N 311.292 -0.040 30 20 DBED C#CCCN1C[C@@H](O)[C@H](CNC(=O)c2ccc(OC)nn2)C1 958570608 MPYPEWGLRQMAQM-DGCLKSJQSA-N 304.350 -0.469 30 20 DBED CC#CCN1C[C@H](CNC(=O)c2c(OC)ccnc2O)[C@@H](O)C1 958596016 XWNSHWFTFUMDAS-RYUDHWBXSA-N 319.361 -0.158 30 20 DBED C#CCN1CCC(C(=O)NC[C@H]2CN(CC#CC)C[C@H]2O)CC1 958723751 JMKNVLPEXYHAIH-DLBZAZTESA-N 317.433 -0.236 30 20 DBED CCn1ncc(C(=O)N(C)[C@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)n1 958840106 NIGUVFBPCKZECP-DLOVCJGASA-N 320.353 -0.899 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@H](NC(=O)Cc2nnc(C)o2)C1 962700450 YTYYIVXAFPXUHP-MNOVXSKESA-N 322.365 -0.179 30 20 DBED N#Cc1c[nH]c(C(=O)N2CCC[C@H]3[C@H]2CCN3C(=O)C(N)=O)c1 962881479 UTCNXOUCPDAGII-NWDGAFQWSA-N 315.333 -0.423 30 20 DBED C[C@@H]1CN(C(=O)CC(N)=O)C[C@@H]1NC(=O)c1cc(C#N)c[nH]1 966251259 SNTYQNWRXCIDPQ-KCJUWKMLSA-N 303.322 -0.662 30 20 DBED CCN(C(=O)[C@H]1CCC(=O)N1)C1CN(C(=O)C#CC2CC2)C1 967835802 AUBASRYZJAWFRF-CYBMUJFWSA-N 303.362 -0.262 30 20 DBED C#CCCN1CC[C@H](C)[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)C1 968603011 UVAFVLIFGDWSRB-JSGCOSHPSA-N 319.409 -0.260 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@H](NC(=O)c2cnc(O)n2C)C1 969533951 FKKHJCQPISMISF-KOLCDFICSA-N 322.365 -0.361 30 20 DBED C=CCn1cc(C(=O)N[C@@H](C)C2CN([C@H](C)C(=O)NC)C2)nn1 970544566 NYWBVFYKUFFIRW-WDEREUQCSA-N 320.397 -0.351 30 20 DBED Cc1conc1C(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 970571653 GIEPKCINMXLEQA-NEPJUHHUSA-N 303.318 -0.302 30 20 DBED CN([C@H]1CCNC1=O)[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 971367219 RHIHYSXCWYNRDX-YPMHNXCESA-N 301.350 -0.079 30 20 DBED C=C[C@](C)(CC)C(=O)N1C[C@H]2[C@H](NC(=O)Cn3ncnn3)[C@H]2C1 976558991 ZOJZELGQCPHWRZ-REJLFOLJSA-N 318.381 -0.152 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)C[C@H]3CCNC3=O)[C@H]2C1 976644193 UAOFCBLZMNLCGB-VLLVSFFDSA-N 304.350 -0.755 30 20 DBED C#CCN1C[C@H]2C(CNC(=O)c3cc(C(N)=O)cn3C)[C@@H]2C1 978448032 XECZKRNJLODSNH-STQMWFEESA-N 300.362 -0.335 30 20 DBED C#CCCN1C[C@H]2[C@H](CNC(=O)c3cn(C)c(=O)nc3O)[C@H]2C1 979056579 CMNUBOQPQRAJGA-CNDDSTCGSA-N 316.361 -0.583 30 20 DBED C=CCN1CCCC2(C1)CN(C(=O)[C@H]1CCS(=O)(=O)N1)C2 982154140 SWKZELGBRKSZIK-GFCCVEGCSA-N 313.423 -0.212 30 20 DBED C=CCCn1cc(C(=O)N2CCC(N(C)CC(N)=O)CC2)nn1 985699856 MCGAIGZWHLOKCT-UHFFFAOYSA-N 320.397 -0.124 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)c3cnnn3C)C[C@@H]2C1 986041676 MXGSFWDRHYSTEP-TUAOUCFPSA-N 316.365 -0.105 30 20 DBED COCC(=O)N1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H](O)C1 991388627 PYRQNKXJOPQXRD-PWSUYJOCSA-N 306.322 -0.776 30 20 DBED Cc1n[nH]cc1C(=O)N[C@H]1CCN(C(=O)C#CC2CC2)C[C@H]1O 991652835 ZLAAYZZZYBHOBY-UONOGXRCSA-N 316.361 -0.177 30 20 DBED N#CCN[C@@H]1CCC[C@H]2CN(C(=O)CN3CC(=O)NC3=O)C[C@@H]21 992865817 ZRAJIEWYIITHJI-SDDRHHMPSA-N 319.365 -0.722 30 20 DBED C=CCN[C@@H]1CN(C(=O)CC[C@H]2NC(=O)NC2=O)CC1(C)C 996585050 ODZKSQUVZOUPGO-GHMZBOCLSA-N 308.382 -0.013 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)[C@@H]3COC(=O)N3)C2)cc1 997329580 VHBJLUKPSHMXRE-ZDUSSCGKSA-N 313.313 -0.283 30 20 DBED C=CCn1cc(C(=O)N2CC(CNC(=O)c3ccon3)C2)nn1 1001076377 IOPWGQSXKGVWMH-UHFFFAOYSA-N 316.321 -0.046 30 20 DBED Cn1nnnc1CN1CCC(NC(=O)c2ccc(C#N)[nH]2)CC1 1002624678 BVQWCWGNYZLXRZ-UHFFFAOYSA-N 314.353 -0.196 30 20 DBED C[C@@H](C#N)C(=O)N1CC([C@H](C)NC(=O)c2ccc(O)nn2)C1 1005643495 VCCUVOCRJIMHON-IUCAKERBSA-N 303.322 -0.081 30 20 DBED C#CCCN1CCC(N(C)C(=O)C2CC(=O)NC(=O)C2)CC1 1006135298 CULHROOULVNXPJ-UHFFFAOYSA-N 305.378 -0.015 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NC(=O)C(N)=O)C(C)(C)C1 1008529952 WTJKTLXKSMEXPR-OUAUKWLOSA-N 309.366 -0.584 30 20 DBED N#CCN1CCC[C@H](NC(=O)[C@H]2CCc3nnnn3CC2)C1 1008593807 XUNCEFVRVNYFRQ-RYUDHWBXSA-N 303.370 -0.270 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@H](CNC(=O)c3cn(C)c(O)n3)[C@H]2C1 1009468467 QHKVGTOTMCZKOT-DBIOUOCHSA-N 317.349 -0.280 30 20 DBED O=C(NC1[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]12)c1cncnc1O 1013296323 RKWCYLCWWMWPDV-VXGBXAGGSA-N 312.329 -0.218 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCN(C(=O)[C@@]3(C)CNC(=O)C3)C2)C1 1019364676 JNSFQBNNBASXTH-XHDPSFHLSA-N 318.377 -0.267 30 20 DBED C=CCCn1cc(C(=O)N2CC[C@H](N[C@@H]3CCNC3=O)C2)nn1 1019493536 CHZOOAUPFLSLPG-NWDGAFQWSA-N 318.381 -0.453 30 20 DBED O=C(Cc1cccnc1)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1023410763 PCTNFSRGNZSLEU-HUUCEWRRSA-N 313.357 -0.275 30 20 DBED C#CCN1CCC(C(=O)NC[C@H]2CCCN2CC(N)=O)CC1 1028333749 QHZNXBMSBCEZNS-CQSZACIVSA-N 306.410 -0.603 30 20 DBED C=CCN1CC[C@@H](CNC(=O)c2c[nH]nc2S(N)(=O)=O)C1 1028791788 UYKJWTSJQQLMSM-VIFPVBQESA-N 313.383 -0.705 30 20 DBED N#Cc1ccc(CN2CC(NC(=O)C3CS(=O)(=O)C3)C2)cc1 1030368269 FKQUOBGLPSIDKA-UHFFFAOYSA-N 319.386 -0.097 30 20 DBED C=C(Br)CN1CC(NC(=O)C2CS(=O)(=O)C2)C1 1030368756 ZREQFDPSFLETIJ-UHFFFAOYSA-N 323.212 -0.260 30 20 DBED C=CCN1CC[C@@H](N2CC(CNC(=O)c3ncn(C)n3)C2)C1=O 1031651670 GYUSSMLBHZIWQW-GFCCVEGCSA-N 318.381 -0.736 30 20 DBED C#CCCN1CC[C@@H](N(C)C(=O)c2cnc(O)n(C)c2=O)C1 1033324069 NRHHXEKWMYLOMI-LLVKDONJSA-N 304.350 -0.345 30 20 DBED C=CCN1CCO[C@@H](CNC(=O)[C@@H]2CCc3nn[nH]c3C2)C1 1035572790 FJJCJUZVCZAWNY-NEPJUHHUSA-N 305.382 -0.087 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@]1(O)CCN(C(=O)COCC)C1 1039575726 FCBOOINNWPXTPG-HUUCEWRRSA-N 314.382 -0.570 30 20 DBED N#CCSCC(=O)N1CC[C@@](O)(CNC(=O)c2cc[nH]c2)C1 1040082622 SWCZPLXNFGJTLG-CQSZACIVSA-N 322.390 -0.035 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2CCC(=O)N2)C1 1040441454 YFKFBWZKZWALPN-MEDUHNTESA-N 323.393 -0.443 30 20 DBED C=CC(C)(C)C(=O)NC[C@]1(O)CCN(C(=O)C2(C(N)=O)CC2)C1 1040490488 JYGRCJOGTBPNFJ-OAHLLOKOSA-N 323.393 -0.456 30 20 DBED C[C@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)c2ccc(C#N)[nH]2)C1 1040763050 NHGFQJDYZYMYCG-BMIGLBTASA-N 315.333 -0.261 30 20 DBED Cc1cc(C#N)nc(N2C[C@@H](O)[C@H](NC(=O)c3cn[nH]c3)C2)n1 1040923627 LCPANHRGNYBZLC-VXGBXAGGSA-N 313.321 -0.641 30 20 DBED Cn1cnn(CC(=O)N2CC[C@@]3(CCN(CC#N)C3)C2)c1=O 1041422444 NYCDFRAFSMBEOY-CQSZACIVSA-N 304.354 -0.970 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(O)(CNC(=O)c2cocn2)C1 1042056077 QCBCWQRJMIIBTL-CYBMUJFWSA-N 309.322 -0.695 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)C2=CCOCC2)C1 1042723398 XLILGTKBDFEEFQ-UHFFFAOYSA-N 322.361 -0.938 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(O)CN(C(=O)c2cccnc2)C1 1042809576 NZSOKVOCLYGOOH-HNNXBMFYSA-N 319.361 -0.288 30 20 DBED C=C(C)C(C)(C)C(=O)N1CC(O)(CNC(=O)c2ncn(C)n2)C1 1042897601 KYZCJKDQAYLTHW-UHFFFAOYSA-N 321.381 -0.280 30 20 DBED CCc1cc(C(=O)N2CC(O)(CNC(=O)C#CC(C)C)C2)n[nH]1 1042936122 AJDVWRNVLOVIOY-UHFFFAOYSA-N 318.377 -0.065 30 20 DBED O=C(C#CC1CC1)NCC1(O)CN(C(=O)c2csnn2)C1 1042964265 BCNVFNNAFPYRKO-UHFFFAOYSA-N 306.347 -0.745 30 20 DBED C=C1CC(C)(C(=O)N2CC(O)(CNC(=O)CC(=O)N(C)C)C2)C1 1043102586 UTTQIRILEYOFHN-UHFFFAOYSA-N 323.393 -0.490 30 20 DBED C=C(C)CCC(=O)NCC1(O)CN(C(=O)[C@H](C)NC(C)=O)C1 1043312916 ZHZYGJNNDYRJPU-NSHDSACASA-N 311.382 -0.443 30 20 DBED C=CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2cncn2C)C1 1043575381 KDTOPOUKKPRWKJ-NSHDSACASA-N 322.365 -0.686 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)c2[nH]cnc2C)C1 1043827186 SLPAMVNRQFXURM-UHFFFAOYSA-N 308.338 -0.776 30 20 DBED C[C@@H]1C[C@H](NCC#N)CCN1C(=O)Cn1ccc(=O)n(C)c1=O 1044626749 SXHVQRAROMWYDU-VXGBXAGGSA-N 319.365 -0.960 30 20 DBED N#Cc1cc(C(=O)N2CC(O)(CNC(=O)CCCF)C2)c[nH]1 1044841519 GJUGDJDMCWINNB-UHFFFAOYSA-N 308.313 -0.061 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)c2ccnc(O)c2)C1 1045541313 SWUDSQLCBPWGKG-VIFPVBQESA-N 304.306 -0.750 30 20 DBED CCO[C@H](C(=O)N1CC(O)(CNC(=O)[C@@H](C)C#N)C1)C(C)C 1045551326 HKZFJXPFYKKZRK-RYUDHWBXSA-N 311.382 -0.103 30 20 DBED CN(C(=O)c1c2c(nn1C)CCC2)[C@H]1CN(CC#N)C[C@@H]1O 1047594527 GFMVUXHPIHPGEW-STQMWFEESA-N 303.366 -0.451 30 20 DBED C#CCOCCC(=O)N1C[C@H]2C[C@@H](NC(=O)C(N)=O)C[C@H]1C2 1047700958 LSIRODHMEKXQLY-QJPTWQEYSA-N 307.350 -0.993 30 20 DBED C=CCOCC(=O)N(C)[C@H]1CN(C(=O)[C@H]2CCOC2)C[C@@H]1O 1048554615 BFUUNWMMKIZUBS-AVGNSLFASA-N 312.366 -0.744 30 20 DBED C=C[C@@](C)(O)CC(=O)N(C)[C@H]1CN(C(=O)c2ncc[nH]2)C[C@@H]1O 1048761704 GDYRAEAWDBRGLB-ZIBATOQPSA-N 322.365 -0.620 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CC(=O)N(C)C)C1 1048869124 IMKYXCPVFXSUNI-STQMWFEESA-N 323.393 -0.702 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)c2cncn2C)C[C@@H]1O 1049401507 GYQFKFPPOKGMDC-DLOVCJGASA-N 305.338 -0.777 30 20 DBED C=C(C)CN1CCOC[C@H]1CNC(=O)[C@H]1CCS(=O)(=O)N1 1051247692 LIIWHOWSDQALFF-VXGBXAGGSA-N 317.411 -0.929 30 20 DBED C#CCCN1CCN([C@@H]2CCN(C(=O)C3(C(N)=O)CC3)C2)CC1 1052074074 SVRAEIDVGOMHPX-CQSZACIVSA-N 318.421 -0.506 30 20 DBED C#CCC1(C(=O)N2C[C@H](C)[C@H](CNC(=O)C(N)=O)C2)CCC1 1052747899 RBGFSNRFRZTEHJ-NWDGAFQWSA-N 305.378 -0.124 30 20 DBED CCn1ncc(CN2CC3(C2)CN(C(=O)[C@H](C)C#N)CCO3)n1 1053191059 KYNRENWZSXZSHW-GFCCVEGCSA-N 318.381 -0.129 30 20 DBED C=C(Cl)CN1CC2(C1)CN(C(=O)Cn1nccn1)CCO2 1053272906 NUMBORNCAIKRJS-UHFFFAOYSA-N 311.773 -0.056 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)C[C@H]3CCN(C)C3=O)CO2)C1 1053841153 BFBGEHJNKRRVKK-KGLIPLIRSA-N 319.405 -0.162 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)CN3CCCNC3=O)CO2)C1 1053857482 GEDGVBAUZBTPTC-CYBMUJFWSA-N 320.393 -0.616 30 20 DBED C#CCN1CC[C@]2(CCCN(C(=O)C3CC(=O)NC(=O)C3)C2)C1 1054213595 IINQOKFLFSNKQR-QGZVFWFLSA-N 317.389 -0.013 30 20 DBED C[C@@H]1CN(C(=O)Cc2ccc(C(N)=O)nc2)C[C@H]1NCC#N 1054798258 RWEDKCPJXRJWNL-ZWNOBZJWSA-N 301.350 -0.317 30 20 DBED CC(C)C#CC(=O)N1C[C@H]2CN(C(=O)[C@H](C)NC(N)=O)C[C@H]2C1 1055304125 LUIHCCBPFXPDFI-RWMBFGLXSA-N 320.393 -0.381 30 20 DBED N#Cc1nccc(N2CCN(C(=O)[C@H]3COC(=O)N3)CC2)n1 1055785653 MUENGDWFECWIFC-SECBINFHSA-N 302.294 -0.895 30 20 DBED C#CCOCCC(=O)N[C@@]1(CO)CCCN(C(=O)[C@@H](C)C#N)C1 1055944627 AOLLDPSMKYEQJX-BBRMVZONSA-N 321.377 -0.344 30 20 DBED N#Cc1cncc(N2C[C@H]3C(NC(=O)c4cc[n+]([O-])cc4)[C@@H]3C2)n1 1056101091 ZXYKOQFSGZXGOC-CHWSQXEVSA-N 322.328 -0.154 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@](CO)(NC(=O)Cc2cnc[nH]2)C1 1056165864 XNATWQUCOFBMGY-ABAIWWIYSA-N 319.365 -0.418 30 20 DBED Cc1cc(=N[C@@H]2CCN(C(=O)[C@H]3CNC(=O)N3)C2)c(C#N)c[nH]1 1056764182 LAIFDCQEEQBREQ-DGCLKSJQSA-N 314.349 -0.622 30 20 DBED C#Cc1cncc(C(=O)NCCN(CCO)C(=O)COC)c1 1056788713 HDUDMPLUTHRDHI-UHFFFAOYSA-N 305.334 -0.740 30 20 DBED CCO[C@H]1C[C@H]1C(=O)N(CCO)CCNC(=O)C#CC1CC1 1057089002 LLPCJWGMSYBJER-KGLIPLIRSA-N 308.378 -0.238 30 20 DBED N#Cc1cnc(N2CCCN(C(=O)Cn3nccn3)CC2)cn1 1057186092 RIWULVSNLAPEPP-UHFFFAOYSA-N 312.337 -0.321 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)C(=O)C(C)(C)C 1057227461 LYVTZFYYZOUOHX-UHFFFAOYSA-N 314.382 -0.259 30 20 DBED C=CCn1cc(C(=O)NCCN(CCO)C(=O)/C(C)=C/C)nn1 1057309790 LZOQCULPUMBFMF-LFYBBSHMSA-N 321.381 -0.019 30 20 DBED C=C[C@@](C)(O)CC(=O)N(CCO)CCNC(=O)c1ncccn1 1057452370 ZCMIUCLACMVDRB-OAHLLOKOSA-N 322.365 -0.646 30 20 DBED Cc1noc(C)c1CC(=O)N(CCO)CCNC(=O)[C@@H](C)C#N 1057561542 TUMDIFZZWQWXSK-JTQLQIEISA-N 322.365 -0.069 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)N(CCO)CCNC(=O)CC 1057577164 XEPWLEVEXOKRRA-CYBMUJFWSA-N 313.398 -0.196 30 20 DBED Cn1nnc(C(=O)N2CCC[C@@H](Nc3nccnc3C#N)C2)n1 1057738981 YZTHBEVTVLMCPQ-SECBINFHSA-N 313.325 -0.412 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)c1ccc(C(N)=O)o1 1058205156 QLVCSWLVKQZWHB-SECBINFHSA-N 322.321 -0.911 30 20 DBED CN1CCOC[C@@H]1C(=O)N[C@@H]1CCN(c2ccc(C#N)cn2)C1 1058319494 VSJYUNHTIYQCIA-ZIAGYGMSSA-N 315.377 -0.021 30 20 DBED N#Cc1nccnc1N1CC[C@@H](NC(=O)[C@H]2CCCC(=O)N2)C1 1058473441 XQRCFWHIHLNBQN-GHMZBOCLSA-N 314.349 -0.288 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)CC[C@H]1CCOC1 1058653459 VXZYTGOOIHCKIH-OLZOCXBDSA-N 311.382 -0.100 30 20 DBED COc1cnc(C(=O)NCCN(CCO)C(=O)[C@H](C)C#N)nc1 1058655198 SUPOGPFVJFOWNN-SNVBAGLBSA-N 321.337 -0.804 30 20 DBED CCCn1cc(C(=O)N(CCO)CCNC(=O)[C@H](C)C#N)nn1 1058664678 IDVRRLJZUGBHOW-LLVKDONJSA-N 322.369 -0.602 30 20 DBED N#CCSCC(=O)N1CC[C@H](CCNC(=O)CC(N)=O)C1 1059198521 UXVKWUZMRNBYEO-JTQLQIEISA-N 312.395 -0.527 30 20 DBED Cc1cc(=N[C@H]2C[C@@H](NC(=O)[C@H]3COC(=O)N3)C2)c(C#N)c[nH]1 1059626922 PGQXRZLZDPFRJP-NTZNESFSSA-N 315.333 -0.149 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)Cn1cccn1 1061284817 XCCURTKVGZOIGI-NEPJUHHUSA-N 305.338 -0.614 30 20 DBED N#Cc1cnc(N2CCC[C@H]2CNC(=O)[C@@H]2COCCO2)cn1 1061298130 KFGVRXPHONKADD-STQMWFEESA-N 317.349 -0.151 30 20 DBED Cn1nnc(C(=O)NC[C@@H]2CCCN2c2cncc(C#N)n2)n1 1061427691 JMASSRFGYCCAIE-JTQLQIEISA-N 313.325 -0.729 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)Cc1ncc[nH]1 1061815666 AGAOYDAKSTUXSS-WDEREUQCSA-N 305.338 -0.545 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)CCc1ncc[nH]1 1061848404 QOTYSIUGHKYNQV-NWDGAFQWSA-N 319.365 -0.154 30 20 DBED C=CCOCC(=O)NC[C@H]1CCCCN1C(=O)[C@H]1CCNC1=O 1062295411 GWECXEIYEKSXNX-OLZOCXBDSA-N 323.393 -0.178 30 20 DBED C#CCOCCC(=O)NC[C@H]1CN(C(=O)[C@@H](C)OC)CCO1 1064920916 DWXJGOLRIJQXDI-OLZOCXBDSA-N 312.366 -0.595 30 20 DBED C=CCOCC(=O)N1CCO[C@H](CNC(=O)[C@H](C)COC)C1 1064977830 XQTNXECJRQIPKM-CHWSQXEVSA-N 314.382 -0.185 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(C(=O)Cc2ccon2)CCO1 1064997237 RGJJFWFJGCQADL-CQSZACIVSA-N 317.345 -0.026 30 20 DBED Cc1cc(C#N)nc(N2C[C@H]3C[C@H](NC(=O)C(N)=O)C[C@H]2C3)n1 1065553536 BZSIWGKQGHYQTM-JBLDHEPKSA-N 314.349 -0.385 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@H](CNC(=O)CCCCC(N)=O)C1 1065557838 VXJGECIKMOLMPA-VXGBXAGGSA-N 324.381 -0.465 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC2(C1)CN(C(=O)[C@@H](C)C#N)CCO2 1068451094 GPCYUSMOPOPOGR-SWLSCSKDSA-N 321.377 -0.087 30 20 DBED C=CCCC(=O)N1CC2(C[C@H](NC(=O)CCNC(N)=O)CO2)C1 1068865235 SYGDSMZPJNHCRS-NSHDSACASA-N 324.381 -0.503 30 20 DBED C#CCN[C@@H]1CN(C(=O)Cn2ccnc2C)C[C@@H]1n1ccnn1 1070327917 JBPOJMGLQZZKCE-KGLIPLIRSA-N 313.365 -0.542 30 20 DBED C#CCN1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CCC(=O)N2)C1 1070400977 HHZPWKQGQOTXML-WCQYABFASA-N 315.377 -0.273 30 20 DBED N#CCN1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2COC(=O)N2)C1 1070407344 CWKIFWPBGQRMOA-GXSJLCMTSA-N 318.337 -0.553 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)[C@H]4CN(C)CCO4)C[C@@]3(C1)O2 1070779772 HDXACBNFMINAKK-KCYZZUKISA-N 319.405 -0.748 30 20 DBED C[C@@H](C(=O)N1C[C@H]2C[C@@H]3CN(CC#N)C[C@]2(C1)O3)n1cncn1 1070789575 CXFIWKLMKCBUQV-KYEXWDHISA-N 316.365 -0.336 30 20 DBED C#CCCN1C[C@H]2C[C@H]3CN(C(=O)c4ncn(C)n4)C[C@@]3(C1)O2 1070795544 XBFRMDGCUFISPC-WOSRLPQWSA-N 315.377 -0.246 30 20 DBED C=CCCOCC(=O)N[C@H]1CN(C(=O)c2nnn(C)n2)C[C@@H]1C 1072529663 BAVZWDVVRWTGOE-QWRGUYRKSA-N 322.369 -0.621 30 20 DBED N#CCN1CCC2(C1)CN(C(=O)c1ccc(S(N)(=O)=O)o1)C2 1072895054 ZHKDRPWJRSRNIU-UHFFFAOYSA-N 324.362 -0.402 30 20 DBED COCCn1cc(C(=O)NC[C@H]2CN(CC#N)CCCO2)nn1 1073595201 JCGMHOLBDZEHRR-LBPRGKRZSA-N 322.369 -0.731 30 20 DBED COC[C@H](C)C(=O)N1CC(N2CCN(C(=O)[C@H](C)C#N)CC2)C1 1073596659 BXELFVAWZCLSJO-OLZOCXBDSA-N 322.409 -0.216 30 20 DBED CCOCC(=O)N1CC(N2CCN(C(=O)[C@H](C)C#N)CC2)C1 1073597071 PPAFSTVLUPSSJX-GFCCVEGCSA-N 308.382 -0.462 30 20 DBED C=CCCC1(C(=O)NCC2(O)CCN(C(=O)C(N)=O)CC2)CC1 1074700972 NJHVCMAUBNRWRR-UHFFFAOYSA-N 323.393 -0.312 30 20 DBED CN(C)CCC(=O)N1CCC(O)(CNC(=O)C#CC2CC2)CC1 1074713277 PJBPYJYDDZYOOG-UHFFFAOYSA-N 321.421 -0.179 30 20 DBED C=CCN1CC[C@@H](N2C[C@@H]3CCN(C(=O)CC(N)=O)[C@@H]3C2)C1=O 1075630296 CEDRHCYRQIQICG-YNEHKIRRSA-N 320.393 -0.819 30 20 DBED C#CCOCCC(=O)NCC[C@H](C)NC(=O)CCn1ccnn1 1076503932 CYLFXBGIEGBSCB-ZDUSSCGKSA-N 321.381 -0.281 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3ncncc3C2)C1 1077116997 HZDBJUJKCCRSTB-DAXOMENPSA-N 314.389 -0.234 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2cnc3n2CCCCC3)C1 1077219797 YRXKWQFWFZKKMP-DGCLKSJQSA-N 303.366 -0.092 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCCC(=O)N2)C1 1077658590 FIZWKMZMJJUZTM-IJLUTSLNSA-N 315.801 -0.041 30 20 DBED Cn1cnn(CCC(=O)N2C[C@H]3CC[C@H]2[C@H](NCC#N)C3)c1=O 1079002455 QEIBMKWSDBCIJF-XQQFMLRXSA-N 318.381 -0.535 30 20 DBED Cn1cc(C(=O)N2C[C@H]3CC[C@H]2[C@H](NCC#N)C3)c(O)nc1=O 1079105755 QKMUJVVBZMFMLH-WCQGTBRESA-N 317.349 -0.408 30 20 DBED N#CCSCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CC2CC2)C1 1081158068 MIEBSDDZLUVJNT-NWDGAFQWSA-N 311.407 -0.021 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(C(=O)c2ncccn2)C[C@@H]1O 1081471256 LFZDNLUYEUGEQJ-OLZOCXBDSA-N 314.345 -0.561 30 20 DBED CC(C)(C)C(=O)C(=O)N1C[C@H](CNC(=O)C#CC2CC2)[C@@H](O)C1 1081472023 UTJAYYFWCHXYTJ-STQMWFEESA-N 320.389 -0.050 30 20 DBED C#CCOCCC(=O)NC[C@H]1CN(C(=O)C#CC(C)C)C[C@@H]1O 1081488409 HYRCPMHPTSOLQB-GJZGRUSLSA-N 320.389 -0.379 30 20 DBED C=C(C)C(C)(C)C(=O)NC[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1O 1081643375 TYMZXBLIMGEUOD-MNOVXSKESA-N 321.381 -0.044 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)Cn1cccc(C)c1=O 1081662409 YAXFGTWOFSSNAJ-CHWSQXEVSA-N 304.350 -0.504 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)CN2CCCCCCC2=O)C1 1083507015 MYOTYBWAGHUUGA-KGLIPLIRSA-N 307.394 -0.426 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)c2nc(C)c(C)[nH]c2=O)C1 1083559429 LMWVCOPQCDIMTE-NEPJUHHUSA-N 306.366 -0.262 30 20 DBED CC(=O)NCc1ccc(C(=O)N[C@@H]2CN(CC#N)C[C@@H]2O)o1 1083868470 KMXUNGFHJDUANA-NEPJUHHUSA-N 306.322 -0.786 30 20 DBED N#CCN[C@H]1C[C@@H](CNC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 1086085415 DGPSOOVSIBDNEW-SDDRHHMPSA-N 316.365 -0.229 30 20 DBED C#CCN[C@H]1CCCCCN(C(=O)CN2CCNC(=O)C2)C1 1088358449 CFZQMRWITHCQPO-AWEZNQCLSA-N 306.410 -0.588 30 20 DBED C=C(Cl)CN1CC[C@H](NC(=O)CN2CCNC(=O)C2)[C@H]1C 1088792404 LZFWAHKECUMIIZ-NEPJUHHUSA-N 314.817 -0.250 30 20 DBED C=C(Cl)CN1CC[C@@H](NC(=O)CN2CCOCC2)[C@@H](O)C1 1090203492 HIOUNCOPKPSAOJ-OLZOCXBDSA-N 317.817 -0.378 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2cc(CN(C)C)on2)[C@@H](O)C1 1090382396 QZDCAUXZEJKXON-HIFRSBDPSA-N 320.393 -0.076 30 20 DBED C=CCN1CC[C@@H](NC(=O)c2cccc(C(=O)NC)n2)[C@@H](O)C1 1090767563 KSKBIEHHHHIJHL-RISCZKNCSA-N 318.377 -0.208 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)c2ccc(C(N)=O)nc2)[C@H](O)C1 1090851472 DMNLJXYBEJKOPV-TZMCWYRMSA-N 318.377 -0.078 30 20 DBED CC(=O)NCC[C@H]1CN(c2cncc(C#N)n2)CCS1(=O)=O 1091303500 LAHZWCISLLFFFK-LBPRGKRZSA-N 323.378 -0.522 30 20 DBED CNC(=O)CC(=O)NC[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1C 1092356103 RKFDDULYDMJTJL-GHMZBOCLSA-N 316.365 -0.327 30 20 DBED CNC(=O)CC(=O)NC1[C@@H]2CN(c3ncc(C#N)cc3F)C[C@@H]12 1093241441 FCXGGXIYAWRHAR-NXEZZACHSA-N 317.324 -0.221 30 20 DBED N#Cc1ccc(NCCNC(=O)C2CC(=O)NC(=O)C2)cn1 1093741536 FQPBUQSLDODCKL-UHFFFAOYSA-N 301.306 -0.466 30 20 DBED N#Cc1ccc(NCCNC(=O)[C@H]2CCCS(=O)(=O)C2)nn1 1093867139 PQZPTWRDOBTSQJ-JTQLQIEISA-N 323.378 -0.299 30 20 DBED N#Cc1ccc(NCCNC(=O)c2cnc3n2CCOC3)nn1 1094220374 WNRSXCGOBYDHOO-UHFFFAOYSA-N 313.321 -0.083 30 20 DBED CC(=O)N[C@H](C)C(=O)NCCCN(C)c1cnc(C#N)cn1 1095487314 OPFZQFVHFKBSSC-SNVBAGLBSA-N 304.354 -0.185 30 20 DBED C=CCCOCC(=O)N[C@H]1CCN(c2ccc3nnnn3n2)C1 1096393027 FWQXHYMPIYASEG-NSHDSACASA-N 317.353 -0.193 30 20 DBED CC[C@H](NC(C)=O)C(=O)N[C@@H]1CCN(c2ccnc(C#N)n2)C1 1096486261 RYKCGUDNGYUNNS-NEPJUHHUSA-N 316.365 -0.042 30 20 DBED CNC(=O)NCC(=O)N[C@H]1CCN(c2nc(C)cc(C#N)n2)C1 1096493032 HTPUYCVNXDALRY-JTQLQIEISA-N 317.353 -0.719 30 20 DBED CNC(=O)CC(=O)NC[C@@H](Nc1ccc(C#N)nn1)C1CC1 1096651341 IUQQPLHVOOIUFF-LLVKDONJSA-N 302.338 -0.209 30 20 DBED C[C@H](CNC(=O)[C@H]1CCC(=O)NC1)Nc1cnc(C#N)cn1 1098396921 CZRFVBHVCSDEEL-ZJUUUORDSA-N 302.338 -0.209 30 20 DBED C[C@H](CCNC(=O)Cn1cnnn1)Nc1ccc(C#N)nc1 1098818092 WKFZPOSPZDQABP-SNVBAGLBSA-N 300.326 -0.053 30 20 DBED C[C@@H](CCNC(=O)[C@H]1COCCN1C)Nc1cncc(C#N)n1 1099022960 YGYFMQMRAVLRND-WCQYABFASA-N 318.381 -0.014 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(CC(=O)NCCC)C[C@@H]1O 1099737771 DLIPTAXHXMPWKQ-OLZOCXBDSA-N 313.398 -0.733 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCN(C/C=C/Cl)C[C@@H]1O 1099788770 IMKDOJUAQBITEO-CHULQOHASA-N 313.785 -0.570 30 20 DBED C=CCCN1CC[C@@H](NC(=O)CN(C)C(=O)COC)[C@H](O)C1 1099863112 IPDXNJWXQXVXQX-CHWSQXEVSA-N 313.398 -0.781 30 20 DBED CC#CCN1CC[C@H](NC(=O)CCc2ncccn2)[C@H](O)C1 1100043244 DOWGLGSHLACENO-UONOGXRCSA-N 302.378 -0.016 30 20 DBED CN(CCNc1cncc(C#N)n1)C(=O)c1ccc2nnnn2c1 1101856498 ZYVUNIHSEPDUJH-UHFFFAOYSA-N 323.320 -0.030 30 20 DBED CN(CCNc1cncc(C#N)n1)C(=O)[C@]1(C)CNC(=O)C1 1101877391 WKXHAGNDVQHKMO-AWEZNQCLSA-N 302.338 -0.255 30 20 DBED CN(CCNc1ccc(C#N)nn1)C(=O)[C@H]1CC[C@@H]1C(N)=O 1101892759 HCWPHIDYADOTPH-QWRGUYRKSA-N 302.338 -0.270 30 20 DBED C=CCCN1C[C@@H](C)[C@H](CNC(=O)C[C@H](NC(C)=O)C(N)=O)C1 1102439077 QOWQUDANHLYNDX-BNOWGMLFSA-N 324.425 -0.373 30 20 DBED CCNC(=O)CCC(=O)NC[C@H](CC)N=c1cc[nH]c(C#N)n1 1103038574 YWAPTMYOXPHHPW-NSHDSACASA-N 318.381 -0.007 30 20 DBED C[C@@H](CNC(=O)[C@@H]1COCCO1)CNc1cnc(C#N)cn1 1103877919 JAEKMXAXYVOQCM-PWSUYJOCSA-N 305.338 -0.072 30 20 DBED C[C@H](CNC(=O)[C@H]1COC(=O)N1)CNc1cnc(C#N)cn1 1103943505 KYGGQMRFDNOCHI-WCBMZHEXSA-N 304.310 -0.379 30 20 DBED N#CCNCc1cn(C2CN(C(=O)C3(F)CCOCC3)C2)nn1 1105254307 SYWKGAKZPBACHG-UHFFFAOYSA-N 322.344 -0.207 30 20 DBED Cc1cc(C#N)nc(N(C)CCN(C)C(=O)c2cnn(C)n2)n1 1105432744 XNKAKINZIRYWAN-UHFFFAOYSA-N 314.353 -0.006 30 20 DBED Cc1cn(C)nc1C(=O)NC[C@@H](O)CNc1ccc(C#N)nn1 1105818253 HMDIIVVNIXHSTB-NSHDSACASA-N 315.337 -0.407 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)c2cc(C)[nH]n2)C[C@H]1C 1105875759 CALGBOIYEZRMIR-DGCLKSJQSA-N 317.393 -0.235 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H](O)CN=c2cc[nH]cc2C#N)cn1 1105910528 WTSZOSQTQZYROV-HNNXBMFYSA-N 321.340 -0.046 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)[C@H]1C[C@H]1C(=O)OC 1106698689 IOSSRJFPXRMALV-WDEREUQCSA-N 317.349 -0.160 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)c2cn(CC(N)=O)nn2)C[C@H]1C 1107034064 GZWCQXYGOWGBIZ-VXGBXAGGSA-N 318.381 -0.916 30 20 DBED N#Cc1nc(=NC/C=C/CNC(=O)CCn2ccnn2)cc[nH]1 1107168025 AKTDKDGSQVMKDN-OWOJBTEDSA-N 312.337 -0.464 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)[C@@H]2CCCCC(=O)N2)C1 1108207808 RPJCUTHVKFABRV-BBRMVZONSA-N 307.394 -0.115 30 20 DBED Cc1cc(=NC[C@H](C)NC(=O)[C@@H]2CNC(=O)N2)c(C#N)c[nH]1 1108668442 BDVWMYMUCRNZQL-CABZTGNLSA-N 302.338 -0.718 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)[C@]1(C)CCNC(=O)C1 1108766598 LOBADQUCIDYMRG-ZUZCIYMTSA-N 316.365 -0.397 30 20 DBED CC(=O)N[C@H](C)C(=O)N[C@@H](C)CN(C)c1ccc(C#N)nn1 1108818399 MXDSWQWLXSMXFM-VHSXEESVSA-N 304.354 -0.186 30 20 DBED C[C@H](CN(C)c1cncc(C#N)n1)NC(=O)CS(C)(=O)=O 1108837400 SJFPHLMCKCMXIT-SECBINFHSA-N 311.367 -0.666 30 20 DBED N#Cc1nccnc1NC1(CNC(=O)[C@H]2CCNC(=O)C2)CC1 1110120640 OEJHPYQECMYSJS-JTQLQIEISA-N 314.349 -0.065 30 20 DBED Cn1nc(C(=O)NCC2(N=c3cc[nH]cc3C#N)CC2)ccc1=O 1110139662 DDEUYGDJCGOVQI-UHFFFAOYSA-N 324.344 -0.157 30 20 DBED N#Cc1c[nH]ccc1=NC1(CNC(=O)c2c[nH]c(=O)cn2)CC1 1110320365 PQHFNGDXLJBHAH-UHFFFAOYSA-N 310.317 -0.167 30 20 DBED C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2[C@@H]1CCC(=O)NC1=O 1110388587 DCXDEKOFQMXFIG-FVCCEPFGSA-N 321.377 -0.284 30 20 DBED CC(=O)NCC(=O)NC[C@]1(O)CCN(c2ccc(C#N)cn2)C1 1111037492 CUMRUFNROFJDKJ-OAHLLOKOSA-N 317.349 -0.853 30 20 DBED CO[C@@H](C)C(=O)N[C@]1(CO)CCCN(c2ccc(C#N)nn2)C1 1111336265 MAVFPYAIHMJDFK-XHDPSFHLSA-N 319.365 -0.169 30 20 DBED N#Cc1cnc(N2CCOC[C@@H]2CNC(=O)CC(N)=O)c(F)c1 1111679172 GLAGAMYQDOHENU-JTQLQIEISA-N 321.312 -0.711 30 20 DBED C=C(C)CN(CC)C(=O)CN1CCN(C(=O)CNC(C)=O)CC1 1112599156 ZATUXELRTZXJPF-UHFFFAOYSA-N 324.425 -0.309 30 20 DBED CCOCC(=O)NC[C@H]1CN(c2ncccc2C#N)C[C@@H]1O 1112691497 FYTZDPNZKJKWEX-STQMWFEESA-N 304.350 -0.097 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)[C@@H]2CCNC(=O)C2)CC1 1112765908 DZXNTYWBSQSFJS-QWHCGFSZSA-N 322.409 -0.653 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)c2ccn(C)c2)CC1 1112767414 REJCJRLDMBYWQS-CYBMUJFWSA-N 302.378 -0.079 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)c2nn(C)cc2C)CC1 1112836054 YQBZQSBAXREKTA-UHFFFAOYSA-N 305.382 -0.211 30 20 DBED C[C@H](N=c1cc[nH]cc1C#N)[C@@H](C)NC(=O)Cn1cnnc1O 1112977630 CVNOVSAXQPEAEN-VHSXEESVSA-N 315.337 -0.322 30 20 DBED C[C@H](N=c1cc[nH]c(C#N)n1)[C@@H](C)NC(=O)CCn1cnnn1 1113124467 NOPKPKNUPLKDDR-VHSXEESVSA-N 315.341 -0.848 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2conc2COC)CC1 1113528937 WVABZZXOGSLPNN-UHFFFAOYSA-N 320.349 -0.672 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)C[C@@H]2CCN(C)C2)CC1 1113536221 JGIFWULSWBPEAA-GJZGRUSLSA-N 320.437 -0.390 30 20 DBED COCC#CCN1CCN(C(=O)[C@H]2CN(C(C)=O)CCO2)CC1 1113595136 SXKCEHZEDLBQRX-OAHLLOKOSA-N 323.393 -0.972 30 20 DBED CC#CCN1CCN(C(=O)CCC(=O)N2CCOCC2)CC1 1113610248 RFKWPKLHGUJDOY-UHFFFAOYSA-N 307.394 -0.207 30 20 DBED C[C@@H](CNC(=O)C[C@@H]1CCC(=O)N1)N(C)c1ccc(C#N)nn1 1113651730 IAHUDHIIIJJDKT-QWRGUYRKSA-N 316.365 -0.042 30 20 DBED C[C@H](CNC(=O)C[C@@H]1CCC(=O)N1)N(C)c1ccnc(C#N)n1 1113651831 KLKRGKVACVKJEE-MNOVXSKESA-N 316.365 -0.042 30 20 DBED C#CCOCCC(=O)NC1[C@@H]2CN(CCn3cccn3)C[C@@H]12 1114263534 WTQNIDJPGVHOJE-ZIAGYGMSSA-N 302.378 -0.031 30 20 DBED C#CCO[C@H](C)C(=O)NC1[C@@H]2CN(Cc3cn(CC)nn3)C[C@@H]12 1114273538 OFSBLSFJBDPTOX-MRVWCRGKSA-N 317.393 -0.117 30 20 DBED C=CCCN1C[C@H]2C(NC(=O)CCn3ncn(C)c3=O)[C@@H]2C1 1114619262 SUMKRTBHLRRURS-VXGBXAGGSA-N 305.382 -0.406 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)c3cn(C)c(=O)n3C)[C@@H]2C1 1115306373 NOLUNCDBIFWZQK-VXGBXAGGSA-N 318.377 -0.966 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1C[C@@H](C)OC[C@H]1C 1117586231 DEYDLKTXMBCBLQ-GHMZBOCLSA-N 318.395 -0.661 30 20 DBED C=CCn1c(Cc2noc(CCN)n2)nnc1N1CCOCC1 1118184075 TYQGFVGQQRSNKQ-UHFFFAOYSA-N 319.369 -0.224 30 20 DBED C[C@H](NC(=O)C(=O)N1CC[C@@](O)(CC#N)C1)[C@H]1CCCOC1 1118222807 GOYRDAAJKOOGME-HUBLWGQQSA-N 309.366 -0.205 30 20 DBED COC1(CO)CCN(C(=O)C(=O)N2CCC[C@H](C#N)C2)CC1 1120475304 KRPMTKNBHQNBSE-GFCCVEGCSA-N 309.366 -0.252 30 20 DBED Cc1cc(C(=O)NC[C@H](CO)Nc2cnc(C#N)cn2)n(C)n1 1121149538 BANQWEOWCYNVPN-LLVKDONJSA-N 315.337 -0.407 30 20 DBED Cc1conc1C(=O)NC[C@H](CO)Nc1nccnc1C#N 1121976691 FTZGAYPMODDERP-SECBINFHSA-N 302.294 -0.153 30 20 DBED N#Cc1cncc(N[C@@H](CO)CNC(=O)CO[C@@H]2CCOC2)n1 1122070745 NQHBFAOYISRTMV-VXGBXAGGSA-N 321.337 -0.957 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)CCn2ccnc2)nn1 1122378813 MUNFQKFTOKGLHP-LBPRGKRZSA-N 315.337 -0.476 30 20 DBED CN1CCCC[C@@H]1C(=O)NC[C@@H](CO)Nc1ccc(C#N)nn1 1122861512 TXEXUKADJSKQDK-QWHCGFSZSA-N 318.381 -0.278 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]cc1C#N)C(=O)Cc1cnoc1 1124689595 VZWZEGIGUKATSV-CYBMUJFWSA-N 315.333 -0.163 30 20 DBED C=CCOCC(=O)NCCNCc1cn(C[C@@H]2CCOC2)nn1 1124768019 QMLQJPAQCXDIKY-ZDUSSCGKSA-N 323.397 -0.277 30 20 DBED C[C@H](C#N)C(=O)NCCNCC(=O)N(C)Cc1cnn(C)c1 1124904320 YYFWRBBTYVVHEG-LLVKDONJSA-N 306.370 -0.756 30 20 DBED CC(C)C#CC(=O)NCCN[C@H]1CCN(c2ccn(C)n2)C1=O 1126823110 PQFRYNITCLOKPH-ZDUSSCGKSA-N 317.393 -0.109 30 20 DBED CC#CCN1CCn2ncc(CNC(=O)CNC(=O)NC)c2C1 1128372084 JTDJCAZSPGQDPB-UHFFFAOYSA-N 318.381 -0.733 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@@H]2C[C@@H]3CN(CCCO)C[C@]2(C1)O3 1131231400 ZPNZEHJYXSDILB-JYYAWHABSA-N 322.405 -0.291 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)c2cnnn2C)CC[C@@H]1C 1132006542 MJUKRIFEJQACEM-RYUDHWBXSA-N 320.397 -0.300 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1nc(Cl)cs1 1132873191 ZVJPGWVRKVWEIV-UHFFFAOYSA-N 301.759 -0.244 30 20 DBED N#Cc1cccc(CNCCNC(=O)CCCS(N)(=O)=O)c1 1133148178 JFALNUVDHRAZMA-UHFFFAOYSA-N 324.406 -0.167 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NCCNCc1cnn(C)n1 1134817188 PQUAOJAAAMXRQB-ZDUSSCGKSA-N 308.386 -0.508 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@H](CC(=C)C)NC(C)=O 1134821384 PLKNTEACNRXYKV-JSGCOSHPSA-N 322.409 -0.699 30 20 DBED COc1c(O)nc(O)nc1C(=O)N[C@@H](C)C[C@@H](C)NCC#N 1135919535 FFADGHRJVDJIRU-SFYZADRCSA-N 309.326 -0.094 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)CCCn2ccnn2)C1 1149835839 RVJFIAWXAQTDQP-AWEZNQCLSA-N 305.382 -0.101 30 20 DBED N#CCNC(=O)CNCCNC(=O)CNC(=O)C1CCCCC1 1149870811 GFAXFPIVWZTSKG-UHFFFAOYSA-N 323.397 -0.972 30 20 DBED C#CCNC(=O)CNCCNC(=O)COc1ccc(OC)cc1 1150872695 SQTDDJVYSCYKDM-UHFFFAOYSA-N 319.361 -0.471 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)COCCOCC 1152542951 YIKSADYMQJYKGQ-GFCCVEGCSA-N 301.387 -0.564 30 20 DBED C=CCCO[C@H](C)C(=O)NCCCNCCNS(C)(=O)=O 1155456180 SWXPYELIAHDXBY-GFCCVEGCSA-N 321.443 -0.387 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)c2n[nH]c(C)c2O)C1=O 1156627279 VYPRCBXGDKYJKX-LLVKDONJSA-N 321.381 -0.080 30 20 DBED CC(C)C#CC(=O)NCCCNCc1cc(=O)n(C)c(=O)n1C 1157644314 SFVXRCNQBFTCOH-UHFFFAOYSA-N 320.393 -0.661 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)[C@@H](C)NC(=O)CC 1158663758 RHVSWDHPMCVYSP-VXGBXAGGSA-N 312.414 -0.312 30 20 DBED C#CCN(C)C[C@H]1CCCCN1C(=O)[C@@H]1CCS(=O)(=O)N1 1158872054 CJHXHTVLHXLMSL-OLZOCXBDSA-N 313.423 -0.376 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)[C@]1(CC)CCNC1=O 1160280546 MAPGWWICUHSVGH-LRDDRELGSA-N 324.425 -0.311 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)[C@@H](COC)OC 1166192534 PEGLKZYNAZCJFO-NWDGAFQWSA-N 301.387 -0.566 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1ccnc(N(C)C)c1 1167497905 RRFMDGTXIFRTAC-UHFFFAOYSA-N 317.393 -0.394 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)C(=O)NCC1CC1 1169444402 VJEWNKQOLPVXBS-NSHDSACASA-N 310.398 -0.701 30 20 DBED C#CCCN1CCO[C@@H]2CCN(C(=O)CCNC(=O)NC)C[C@@H]21 1176998424 AKINHRKKDIUYES-UONOGXRCSA-N 322.409 -0.370 30 20 DBED C=CCOCCN[C@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)[C@H]1C 1179617902 WMEUIADVHPRLMT-SRVKXCTJSA-N 324.381 -0.634 30 20 DBED N#CCNC(=O)CN[C@@H]1CCN(C(=O)Cc2cccnc2)C1 1182023900 NDHQCIOGXSYAEO-CYBMUJFWSA-N 301.350 -0.546 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 1182051432 YJJDUVGBGBMFKV-GFCCVEGCSA-N 301.350 -0.007 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)CNC(=O)c2ccoc2)C1 1182781396 JHPVEKFGUOBBAL-CQSZACIVSA-N 319.361 -0.150 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)[C@]2(C)CCCOC2)C1 1186607658 DGBKBWRFLKCTEB-CZUORRHYSA-N 307.394 -0.257 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2nocc2C)C1 1186842707 KTCJCFKHZZTCFS-NWDGAFQWSA-N 304.350 -0.075 30 20 DBED CN(CC(=O)NCC#N)[C@@H]1CCN(C(=O)C[C@@](C)(O)C2CC2)C1 1189696290 YNAKTGFKBCEBRA-CZUORRHYSA-N 322.409 -0.290 30 20 DBED COCC#CCN(C)[C@H]1CCN(C(=O)c2cc(=O)n(C)o2)C1 1189859173 YDAZGFXKPJQKFH-LBPRGKRZSA-N 307.350 -0.226 30 20 DBED C[C@@]1(C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@H]2O)C[C@@H]2C[C@@H]2C1 1194893372 RNFLZYLRANMYQW-FSPSUXSGSA-N 320.393 -0.776 30 20 DBED CCc1nc[nH]c1C(=O)N[C@@H]1CN(CC#CCOC)C[C@H]1O 1198233870 PJSGEUBZXUVTGW-CHWSQXEVSA-N 306.366 -0.603 30 20 DBED C#CCCNC[C@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)CCCO1 1200788304 YTQSXLQLDUZXQS-OWCLPIDISA-N 323.437 -0.064 30 20 DBED CC#CCNC[C@H]1CN(C(=O)CN2CCCNC2=O)CCCO1 1200880292 HYLWJVMCUGFZOL-AWEZNQCLSA-N 322.409 -0.368 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@H](NC(=O)c2cn[nH]c2)C12CCC2 1202489994 PJJKVDVTFPTWGM-STQMWFEESA-N 315.377 -0.210 30 20 DBED C=CCn1cc(C(=O)N2CCC(NCCOCCO)CC2)nn1 1202827198 UGXXOYYIYFSGLW-UHFFFAOYSA-N 323.397 -0.333 30 20 DBED COCC#CCNCC1CCN(C(=O)Cn2cnnn2)CC1 1204419035 INEUAQMONSOPTD-UHFFFAOYSA-N 306.370 -0.849 30 20 DBED Cn1ccc(C(=O)N2CCC[C@@H](NCC(=O)NCC#N)C2)n1 1211072227 ORIPLXKRBOAFET-LLVKDONJSA-N 304.354 -0.746 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)CCCC(N)=O)[C@H](C)C1 1211454552 PQJYAFZODBYNPB-JHJVBQTASA-N 322.409 -0.784 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2cccn2C)[C@H](OC)C1 1211855301 KCXAIXCEOIJGFD-TZMCWYRMSA-N 318.377 -0.797 30 20 DBED CO[C@@H]1CN(Cc2cnon2)C[C@H]1NC(=O)CSCC#N 1211886035 CIYDUPUOIUGAKT-GHMZBOCLSA-N 311.367 -0.358 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)[C@H](C)COC)[C@H](OC)C1 1212011295 BCCIGDAMPYHCQP-JHJVBQTASA-N 313.398 -0.614 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@@](C)(NC(C)=O)C(C)C)[C@H](OC)C1 1213954342 ZKTIHQDNARKCMK-FMKPAKJESA-N 309.410 -0.014 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)CNC(=O)C2CC2)C[C@H]1C 1214201141 NOBCLQCDFQTKGN-DGCLKSJQSA-N 322.409 -0.749 30 20 DBED C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1NCCS(C)(=O)=O 1214464001 KAYQLIKTIVYYJW-ZWNOBZJWSA-N 324.406 -0.019 30 20 DBED CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C 1214585442 KAPCLCPUFZPHMD-DGCLKSJQSA-N 320.393 -0.318 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(CCc2ccns2)C[C@@H]1O 1219605011 GOERQHCVUUPKAC-YUTCNCBUSA-N 323.418 -0.115 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2ccnn2C)C[C@@H]1O 1219613341 FCUPPMSPEKRHBF-KGLIPLIRSA-N 306.366 -0.879 30 20 DBED Cc1ccc(C(=O)NCC(=O)N[C@@H]2CN(CC#N)C[C@@H]2O)s1 1220899121 IFEBMZZBBKUVQS-MNOVXSKESA-N 322.390 -0.529 30 20 DBED C#CCN[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)NS(C)(=O)=O 1228791503 IOSZOTGSUURCMS-QJPTWQEYSA-N 301.412 -0.426 30 20 DBED C#CCCN1CCC(NC(=O)CCCN2C(=O)CNC2=O)CC1 1230226577 WXYVSBNXNNVJPO-UHFFFAOYSA-N 320.393 -0.078 30 20 DBED CN(C[C@@H]1CCN1CC(=O)NCC#N)C(=O)C1=COCCO1 1230654052 LILQLBBWQDDWQP-NSHDSACASA-N 308.338 -0.953 30 20 DBED C=CCNC(=O)CNC(=O)C(=O)Nc1cccc2c1CNC2=O 1260073288 JUQIBPHAOLNXSP-UHFFFAOYSA-N 316.317 -0.713 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)NCCS(=O)(=O)CC1CC1 1261154066 CJOVYDYMYWJUOV-NSHDSACASA-N 318.395 -0.755 30 20 DBED Cc1cc(NC(=O)C(=O)N[C@@H]2CC(=O)N(C)C2)nn1CCC#N 1319912618 ZYSBYXNNDPSLMD-SNVBAGLBSA-N 318.337 -0.609 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)NC[C@H]1CCCCS1(=O)=O 1323819068 DCMFSEVZKFNBGK-WDEREUQCSA-N 318.395 -0.613 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)C(=O)N2CCOCC3(CCC3)C2)C1 1328436049 KIQWPOBQUFJIQX-MRXNPFEDSA-N 321.377 -0.107 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1329454362 PVUXRIMDJLIDFL-CQSZACIVSA-N 320.393 -0.154 30 20 DBED CN1C[C@@H]2CCCN(C(=O)C(=O)N3CC[C@](O)(CC#N)C3)[C@@H]2C1 1329466116 NYGPJJGXGWSNHH-WOSRLPQWSA-N 320.393 -0.584 30 20 DBED CN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CCCNC(=O)C1 1329788822 BDMJXQCLKKTXNZ-UHFFFAOYSA-N 314.345 -0.135 30 20 DBED C#C[C@@H](NC(=O)C(=O)N(C)Cc1nc(C)no1)[C@H]1CCCO1 1329999872 HYDPXFIUQWVYJH-GHMZBOCLSA-N 306.322 -0.367 30 20 DBED N#CCN1CCC(NC(=O)C(=O)N2O[C@H]3C=C[C@H]2CC3)CC1 1330604372 ILEXQXODOTZAAX-STQMWFEESA-N 304.350 -0.048 30 20 DBED C#CCN1CCC(C(=O)N[C@@H](CO)Cc2cnn(C)c2)CC1 1332164595 CLPIUIOZOOILHO-OAHLLOKOSA-N 304.394 -0.215 30 20 DBED C#CCSCC(=O)N1CCS(=O)(=O)C[C@H]1C(=O)OC 1336730531 FZAFXCIAZNHEAY-VIFPVBQESA-N 305.377 -0.849 30 20 DBED Cc1cccnc1C(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1 1341784536 GEHMOIMIANJGRB-NSHDSACASA-N 321.358 -0.031 30 20 DBED C=CCn1c([C@H](C)O)nnc1N1CCN(CC(=O)N(C)C)CC1 1342114302 AHVGXZYZGHCUAR-LBPRGKRZSA-N 322.413 -0.272 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N1CCC[C@@H](Cn2ccnn2)C1 1343070770 SGMUAXQHCRMRRL-OLZOCXBDSA-N 321.381 -0.166 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)NC[C@]1(N(C)C)CCSC1 1345067541 RIQOHRIPHALLTQ-SMDDNHRTSA-N 315.439 -0.143 30 20 DBED C#CCNCC(=O)N[C@H](C)CN1CCN(c2ccccn2)CC1 1353559062 KQGKSPFHYYDAGQ-OAHLLOKOSA-N 315.421 -0.069 30 20 DBED C=CCn1c(N2CCO[C@@H](CNC(C)=O)C2)nnc1C1(O)CC1 1355980848 FQQVBWQKKLYVKF-LBPRGKRZSA-N 321.381 -0.213 30 20 DBED C[C@@H](NC(=O)CCn1cc(C#N)c(O)nc1=O)c1csnn1 1363363109 MVPQBXWCTQPFJT-SSDOTTSWSA-N 320.334 -0.060 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C)C(=O)c1cc(C(N)=O)ccn1 1373647943 UEWJZDRQXABFRN-VIFPVBQESA-N 303.322 -0.472 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CCCN1C(=O)c1cc(C(N)=O)c[nH]1 1388548331 RQUUAUWGJMPVQL-GXSJLCMTSA-N 317.349 -0.006 30 20 DBED C[C@@H](C#N)C(=O)NCC1CN(C(=O)c2nc3ncccn3n2)C1 1389925470 XWIOMWMZMPXELX-VIFPVBQESA-N 313.321 -0.528 30 20 DBED CC[C@@H](CNC(=O)[C@H]1CCC(=O)N1)NC(=O)c1cc(C#N)c[nH]1 1390321114 WKGORRLZIBTXSN-WDEREUQCSA-N 317.349 -0.210 30 20 DBED CC[C@@H](CNC(=O)c1ncn(C)n1)NC(=O)c1ccc(C#N)[nH]1 1398945762 MPXXEXSCCZXTMU-VIFPVBQESA-N 315.337 -0.047 30 20 DBED CCN(CCC#N)C(=O)CN(C)CCNC(=O)[C@H]1CCC(=O)N1 1399437286 MTOAQKALQGCTSF-GFCCVEGCSA-N 323.397 -0.925 30 20 DBED CCN(CCC#N)C(=O)CN1CC[C@@H]1CNC(=O)c1cn[nH]c1 1406816507 BWBDOSQPVMHXNJ-CYBMUJFWSA-N 318.381 -0.024 30 20 DBED CC[C@H](CNC(=O)c1ccc(=O)n(C)n1)NC(=O)[C@H](C)C#N 1409377784 DIZIAQSYHOYTDO-NXEZZACHSA-N 305.338 -0.435 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)Cc1ccc(F)cn1 1410151921 YRZOXMQPSGHNDC-JOYOIKCWSA-N 308.313 -0.484 30 20 DBED COc1nccc(C(=O)N(C)C[C@H](O)CNC(=O)[C@H](C)C#N)n1 1413299806 KDZSTCUGKUOAMQ-NXEZZACHSA-N 321.337 -0.806 30 20 DBED N#Cc1cncc(S(=O)(=O)NC[C@H]2CCN(C(N)=O)C2)c1 1414303187 SHEJMGYNSCDXFU-SECBINFHSA-N 309.351 -0.368 30 20 DBED CNC(=O)NCCC(=O)N1CCC[C@@H]1CNC(=O)[C@H](C)C#N 1415765532 CTOTXXDZPPFKGO-GHMZBOCLSA-N 309.370 -0.428 30 20 DBED CCO[C@@H](C)C(=O)N1CCN(CCNC(=O)[C@@H](C)C#N)CC1 1427704676 SZKWJWSYUGUGSD-STQMWFEESA-N 310.398 -0.169 30 20 DBED C=C(Cl)CNC[C@@H](O)CNC(=O)CN1CCCNC1=O 1438999678 JGFYLSFWULLKOB-SNVBAGLBSA-N 304.778 -0.779 30 20 DBED CCN(CCC#N)C(=O)CNC[C@@H]1CCCCN1C(=O)C(N)=O 1491261329 QGYVXXBVRSBKLO-LBPRGKRZSA-N 323.397 -0.795 30 20 DBED C[C@H](NC(=O)[C@H](C)C#N)C1CCN(C(=O)Cn2ncnn2)CC1 1511901143 SAXMCTUUPDHHRR-MNOVXSKESA-N 319.369 -0.424 30 20 DBED C=CCn1c(Cc2nc[nH]n2)nnc1N1CCN(C)C(=O)[C@@H]1C 1520391674 AUHQKIYOTNIZPY-JTQLQIEISA-N 316.369 -0.160 30 20 DBED COc1ncc(NC(=O)CN2CCN(C)C(=O)C2)cc1C#N 1548434076 JCOUWBUESXWQKD-UHFFFAOYSA-N 303.322 -0.326 30 20 DBED CC[C@@H](C(=O)NC[C@@H]1CCN(CC(=O)NCC#N)C1)N(C)C 1567416028 SZMAWGBKIHPQKR-STQMWFEESA-N 309.414 -0.596 30 20 DBED C=C(Cl)C[C@@H](N)C(=O)N(C)Cc1nnc2n1CCNC2=O 1574849312 MIVWELSTMBPKCM-MRVPVSSYSA-N 312.761 -0.550 30 20 DBED CCN(CCN=c1cc[nH]c(-c2nn[nH]n2)n1)C(=O)[C@H](C)C#N 1578127581 BFOBERDLUJMRTK-SECBINFHSA-N 315.341 -0.501 30 20 DBED C=C(C)CN[C@@H](CO)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 1588430464 QCYSVFFVUZMQEQ-SNVBAGLBSA-N 305.342 -0.549 30 20 DBED C[C@](C#N)(CC(=O)O)C(=O)N1CC(C2CS(=O)(=O)C2)C1 1588536261 VFXKCJIKFUOORP-GFCCVEGCSA-N 300.336 -0.506 30 20 DBED C=CCOC[C@H](NC(=O)c1ccc2nnc(O)n2c1)C(=O)O 1588862449 YGLLHKJFIQLYAE-VIFPVBQESA-N 306.278 -0.180 30 20 DBED CC(C)(C)C#CC(=O)NC[C@@H](O)CN=c1cc[nH]c(C(=O)O)n1 1589684107 AOQUJDOKYREWIE-JTQLQIEISA-N 320.349 -0.465 30 20 DBED C[C@@]1(CCCC(=O)N(CC#N)CCC(=O)O)NC(=O)NC1=O 1594001305 LRPUNIYYGUYSPT-ZDUSSCGKSA-N 310.310 -0.418 30 20 DBED Cc1c(C(=O)N2CCN(CC(=O)O)CC2)cnn1CCC#N 1599976978 QPYYOFFIWXQTSW-UHFFFAOYSA-N 305.338 -0.052 30 20 DBED N#CC1(C(=O)O)CCN(C[C@H](O)CC2(O)CCOCC2)CC1 1608174359 MADAJZMMVYOSPD-GFCCVEGCSA-N 312.366 -0.031 30 20 DBED C[C@@H]1[C@@H](NC(=O)Cn2cncn2)CCN1C(=O)CSCC#N 1701721140 GRLSMVVBUNXRED-MNOVXSKESA-N 322.394 -0.360 30 20 DBED N#CCNC(=O)CN[C@H]1C[C@H](NC(=O)c2ccc(O)nc2)C1 1752679832 RJBXTBPXGXZMIB-XYPYZODXSA-N 303.322 -0.723 30 20 DBED C#CCCN[C@H]1C[C@H](NC(=O)CCC(=O)N2CCOCC2)C1 1752679889 UHHCIURVBYJNBO-HDJSIYSDSA-N 307.394 -0.115 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)[C@@H](CCC)OC)[C@H]2C1 1752845010 CUTNYLBOZHGGCV-VQJWOFKYSA-N 321.421 -0.014 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H](C)CNC(=O)c1conc1COC 1752913640 LBAXHAURRNQZFT-QWRGUYRKSA-N 322.365 -0.333 30 20 DBED C#CCNC(=O)CN[C@H]1CCC[C@H](NC(=O)c2cnsn2)C1 1752966605 URBRDMNXYJDQSI-QWRGUYRKSA-N 321.406 -0.082 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC[C@H]1CNC(=O)CNC(=O)OC 1753099311 RMVMGDWVIIUWSP-RYUDHWBXSA-N 324.381 -0.939 30 20 DBED C=CCN1CCN(CCN(C)C(=O)CCn2ccnn2)CC1 1753342349 QRXYNGUAEPYXGY-UHFFFAOYSA-N 306.414 -0.070 30 20 DBED C=CCOCCNC[C@H](C)N(C)C(=O)C1CS(=O)(=O)C1 1753693515 OVTYAXORKGQSAS-NSHDSACASA-N 304.412 -0.330 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@@H](C)N(C)C(=O)C(C)(C)C(N)=O 1753697300 LSMJFUUNCNVQQE-MNOVXSKESA-N 310.398 -0.928 30 20 DBED C=CCNC(=O)CNC[C@@H]1[C@H](C)CCCN1C(=O)CC(N)=O 1753806053 VBGYTOLAVPHNAE-VXGBXAGGSA-N 310.398 -0.619 30 20 DBED C#CCNC(=O)CNC[C@@H](O)CNC(=O)c1cccc(C)c1C 1753935586 LUYVZFSTOQUPDP-CQSZACIVSA-N 317.389 -0.267 30 20 DBED C#CCNC(=O)[C@H](C)NC/C=C/CNC(=O)c1nnn(C)c1C 1754105675 OHROJZBNPDQXDR-MLRMMBSGSA-N 318.381 -0.863 30 20 DBED C#CCNC(=O)CNC[C@@H](C)NC(=O)c1cc(C(F)F)[nH]n1 1754244537 DSZVEMMZFJYFSZ-MRVPVSSYSA-N 313.308 -0.195 30 20 DBED C[C@H](CN(C)CC(=O)NCC#N)NC(=O)c1cccn(C)c1=O 1754330990 MLTTUBWGJPSZSU-LLVKDONJSA-N 319.365 -0.925 30 20 DBED C[C@H](NC(=O)CN1CC(O)(CNC(=O)C#CC2CC2)C1)C1CC1 1754767734 QRSMCYZCPMZWLW-LBPRGKRZSA-N 319.405 -0.523 30 20 DBED COc1ncnc(OC)c1C(=O)N1CCO[C@H](CNCC#N)C1 1755018459 XNFZQKNKYABKFQ-SNVBAGLBSA-N 321.337 -0.552 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)[C@H](CC(C)C)C(N)=O)CO2)C1 1755067874 LLPQWPJEOXENDT-QWHCGFSZSA-N 307.394 -0.273 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H](CO)CNC(=O)C1CCCCC1 1755621306 LHJQKRPETNHDLU-TZMCWYRMSA-N 309.410 -0.229 30 20 DBED C=CCNC(=O)CN1CC=C(CNC(=O)[C@H]2COCCO2)CC1 1755880707 FCRNFQGCHRORFM-CQSZACIVSA-N 323.393 -0.548 30 20 DBED CNC(=O)CC(=O)NCC1CC(NC(=O)c2c[nH]c(C#N)c2)C1 1755932560 UDFPVKBGKJJFKG-UHFFFAOYSA-N 317.349 -0.353 30 20 DBED C=CCOCC(=O)N[C@@H]1C[C@@H](C)N(C(=O)c2cnnn2C)C1 1756588853 WRZWGRAMHXHCTB-GHMZBOCLSA-N 307.354 -0.263 30 20 DBED C=C(C)C(C)(C)C(=O)N(C)C[C@H](O)CN(C)C(=O)CC(N)=O 1756683865 LNJDVJWQWVQWCV-LLVKDONJSA-N 313.398 -0.258 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(C(=O)CC(N)=O)CC[C@@H]1C 1756806373 YGOCKYBNUSPJDQ-QWHCGFSZSA-N 323.393 -0.498 30 20 DBED N#C[C@@H]1CN(c2cc(N3CCO[C@@H](C#N)C3)ncn2)CCO1 1771658629 UCXAEALAJVQLCN-TXEJJXNPSA-N 300.322 -0.066 30 20 DBED C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3cnc(O)[nH]3)C2)C1 1779646072 WAHZVNDFUGSVJO-CQSZACIVSA-N 304.306 -0.808 30 20 DBED NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21 1786795038 OOYFDBFFZLMXFP-IHRRRGAJSA-N 305.378 -0.662 30 20 DBED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(C)=O)C2 1792485837 SFVAUBZMQBFWOY-IEWDVVTQSA-N 321.377 -0.546 30 20 DBED C[C@@H](S)C(=O)N1CC2(CCCN2C(=O)[C@H]2CCC(=O)N2)C1 1842798273 SGDMLFGKXJHEQE-NXEZZACHSA-N 311.407 -0.213 30 20 DBED C[C@H]1CN(S(=O)(=O)N2CCN(CC#N)CC2)C[C@@H](C)O1 73614684 QMWTXNHSXDYXKJ-TXEJJXNPSA-N 302.400 -0.518 30 20 DBED C/N=C(/NCCNS(C)(=O)=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 128901674 JRPQEEKOMSMMMZ-GHMZBOCLSA-N 317.459 -0.674 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)CNC(=O)OCC)CC1 265097181 VYIQQLRGMPSCGZ-UHFFFAOYSA-N 324.381 -0.984 30 20 DBED COC(=O)[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)c(F)c1)OC 293197447 BLMUPLRLOLXTLH-LLVKDONJSA-N 323.280 -0.060 30 20 DBED C[C@H]1CN(C(=O)CNC(=O)c2ccc(C#N)cc2)CC(=O)N1 296335115 UDLPVSWEIBLVTH-JTQLQIEISA-N 300.318 -0.365 30 20 DBED CN(C)CCNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 298321884 ODIMIAOYGCLOML-UHFFFAOYSA-N 310.379 -0.486 30 20 DBED COCCNC(=O)CNS(=O)(=O)Cc1cccc(C#N)c1 298385461 DAXGBOSXYYTEEH-UHFFFAOYSA-N 311.363 -0.260 30 20 DBED COC(=O)CN(CC(=O)OC)C(=O)c1cccc(C#CCO)c1 320544747 LAJIZCWXZOKUEY-UHFFFAOYSA-N 319.313 -0.181 30 20 DBED CC[C@@H](C)N(CC(=O)OC)S(=O)(=O)N1CCO[C@@H](C#N)C1 337215156 YBQFUGPYTCTKRW-MNOVXSKESA-N 319.383 -0.271 30 20 DBED C=CCNC(=O)CNC(=O)Nc1cccc(OCC(N)=O)c1 348170013 XRFMHRLMBVTPNZ-UHFFFAOYSA-N 306.322 -0.026 30 20 DBED N#CCNS(=O)(=O)CCCS(=O)(=O)N1CC[C@@H](F)C1 349510018 PFRFVCCDFBWOLS-SECBINFHSA-N 313.376 -0.807 30 20 DBED N#Cc1ccc(S(=O)(=O)NCc2nnnn2CC2CC2)cn1 351581849 OJWMXBJHWJSJTQ-UHFFFAOYSA-N 319.350 -0.172 30 20 DBED CN(C)C[C@H](O)CNC(=O)C(=O)Nc1ccc(C#N)c(F)c1 354352697 KNABPOQATSDULU-LLVKDONJSA-N 308.313 -0.325 30 20 DBED C=CCn1cc(CNC(=O)CCS(=O)(=O)N(C)C)nn1 424909833 WIYPMURSNMWVIV-UHFFFAOYSA-N 301.372 -0.638 30 20 DBED N#CCCNC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 426429580 JCFRIFZSJHPEQW-UHFFFAOYSA-N 307.354 -0.624 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@H](C)n2cccn2)CC1 491166471 RRADSMRJHIVFAJ-ZDUSSCGKSA-N 303.366 -0.662 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2cn(C)nc2Cl)CC1 491496751 SRYAUCLFLXYGHI-UHFFFAOYSA-N 323.784 -0.419 30 20 DBED C#C[C@H](CCC)NC(=O)CNS(=O)(=O)c1cn(C)c(C)n1 491780684 MDDADXUNHXEWNI-LLVKDONJSA-N 312.395 -0.075 30 20 DBED CN(C)C[C@@](C)(C#N)NC(=O)CN1C(=O)NC2(CCCC2)C1=O 521239914 IMFUZUGFUIALQA-CQSZACIVSA-N 321.381 -0.189 30 20 DBED N#Cc1ccc(S(=O)(=O)N(CC(=O)O)CC(=O)O)cc1F 584029905 FKLCBLNYTONBQM-UHFFFAOYSA-N 316.266 -0.143 30 20 DBED CN(CCC#N)S(=O)(=O)N1CCN([C@@H]2CCOC2)CC1 611157837 HYLHLMFWLOGJDR-GFCCVEGCSA-N 302.400 -0.517 30 20 DBED C[C@H](C[C@H]1CCOC1)NS(=O)(=O)N1CCO[C@H](C#N)C1 619712134 JXXHTJWDAUHXRL-IJLUTSLNSA-N 303.384 -0.140 30 20 DBED C=CCN1CC[C@@H](n2cc(CNS(=O)(=O)CC)nn2)C1=O 641109992 XQCNRPUHBANHEW-LLVKDONJSA-N 313.383 -0.323 30 20 DBED C=C[C@H](O)C(=O)NCCCN1CCN(c2ncccn2)CC1 646632522 WVSGQSLBKCEWPS-ZDUSSCGKSA-N 305.382 -0.348 30 20 DBED CC#CC[C@@H](CO)NC(=O)Cc1c(C)nc2nc(=N)[nH]n2c1C 649238675 GDGLBBVHKURGRE-NSHDSACASA-N 316.365 -0.413 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@@]2(C(=O)O)CC2(C)C)CC1 663112297 GTEOUCGJVBDVIO-MRXNPFEDSA-N 323.393 -0.066 30 20 DBED C#CCC[C@H](O)CNC(=O)CS[C@@H]1CCS(=O)(=O)C1 717918842 FDUCSALCIKGTQS-WDEREUQCSA-N 305.421 -0.203 30 20 DBED CNC(=O)CNC(=S)NN=Cc1cc(OC)c2c(c1)OCO2 731929300 FBBBBXBRCCZORC-UHFFFAOYSA-N 324.362 -0.032 30 20 DBED N#Cc1nc(NC(=O)CNCC(F)(F)F)[nH]c1-c1nn[nH]n1 737705935 RNZNRXSNGLEFAJ-UHFFFAOYSA-N 315.219 -0.448 30 20 DBED C#CCNS(=O)(=O)N1CCN(CCCC(=O)OCC)CC1 761036214 DYZZWFIUKWPPCR-UHFFFAOYSA-N 317.411 -0.585 30 20 DBED CCN(C[C@@H](C)C#N)C(=O)COC(=O)CNS(=O)(=O)CC 767389883 PDECTHKINDJPSF-JTQLQIEISA-N 319.383 -0.523 30 20 DBED C#C[C@@H](C)NC(=O)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 784848300 HJERKORBKANYEI-SNVBAGLBSA-N 313.317 -0.353 30 20 DBED COc1cc(C=NNCC(=O)O)cc(OC)c1OCC(N)=O 814958617 GNBQXXYVUISAGI-UHFFFAOYSA-N 311.294 -0.424 30 20 DBED O=C(O)CNC(=O)COC(=O)C#Cc1ccc2c(c1)OCO2 821531238 GAZWZXJVMDVYOE-UHFFFAOYSA-N 305.242 -0.489 30 20 DBED C#CC[C@@H](NS(=O)(=O)c1cc(C(=O)OC)co1)C(=O)OC 841540521 MCOFUGXRODNTBS-SECBINFHSA-N 315.303 -0.091 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@H]2OCC[C@H]2C(C)C)CC1 843789491 RHKAEVFDHJHDQK-HOCLYGCPSA-N 321.421 -0.059 30 20 DBED Cn1c(N[C@H]2CCCC23OCCO3)c(C#N)c(=O)n(C)c1=O 882627704 SQBMUOIYYGLPKE-JTQLQIEISA-N 306.322 -0.337 30 20 DBED C#CCSCC(=O)OCC(=O)NC(=O)N[C@@H](C)COC 885889483 DVGNURYMPHMILW-VIFPVBQESA-N 302.352 -0.243 30 20 DBED CCC#CCOC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 893838860 RXYOIAYRMZQSPT-VXGBXAGGSA-N 313.375 -0.021 30 20 DBED CCn1ccc(=O)n(CC(=O)N(CCC#N)CCC#N)c1=O 913615453 ZBVBSCBHGFGREX-UHFFFAOYSA-N 303.322 -0.314 30 20 DBED N#Cc1nc(NC(=O)CCC(=O)N2CCOCC2)[nH]c1C#N 914535588 UTJCZNDVUFOUKD-UHFFFAOYSA-N 302.294 -0.269 30 20 DBED CN1CCN(c2ccc(CNC(=O)NCC#CCO)cn2)CC1 923787648 RQEDSCFDHQDGOC-UHFFFAOYSA-N 317.393 -0.372 30 20 DBED C=C1CC(C)(C(=O)N2CC[C@H](NC(=O)c3nnn(C)n3)C2)C1 938464529 YYVTVZGULREEJK-JTQLQIEISA-N 304.354 -0.103 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](N(C)C(=O)CN2CCOCC2)C1 939397471 OXOSQWGKLRNUIX-QWHCGFSZSA-N 308.382 -0.462 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2[C@H]3C[C@H]2N(C(=O)CC(N)=O)C3)[nH]1 946943927 NLCCWBNVTFMALF-JVQVWZCXSA-N 301.306 -0.909 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H]2C[C@H]1[C@@H]2NC(=O)Cn1cnnc1O 946958873 LQPLVYUBNAOFOY-JFGNBEQYSA-N 319.365 -0.089 30 20 DBED C[C@H](C#N)C(=O)N1CCC(NC(=O)[C@H]2CN(C)CCO2)CC1 948097221 YEKUKPCDPJTWMY-DGCLKSJQSA-N 308.382 -0.416 30 20 DBED CN1CCOC[C@H]1C(=O)N1CCOC2(CCN(CC#N)CC2)C1 949078746 QFRIMFVRROWNOP-AWEZNQCLSA-N 322.409 -0.466 30 20 DBED N#CCN1CCOC2(CCN(C(=O)CN3CCOCC3)CC2)C1 949338894 VNOWXNOOIRZVIX-UHFFFAOYSA-N 322.409 -0.464 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@H]1CNC(=O)[C@H]1CN(C)C(=O)N1 951468956 XBAQBMYSGRDAPC-WDEREUQCSA-N 308.382 -0.061 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@H]2CCCO2)C1 954630808 KQWPBDUZZIUPLU-LSDHHAIUSA-N 319.405 -0.068 30 20 DBED C#CCCN1C[C@@H](O)[C@@H](CNC(=O)c2cnc(C)nc2OC)C1 958121665 JMNNDXUDGRNGLQ-GXTWGEPZSA-N 318.377 -0.161 30 20 DBED C=CCN1C[C@@H](O)[C@H](CNC(=O)c2cn(C)nc2COC)C1 958183574 OZDOUSBIKFZURF-BXUZGUMPSA-N 308.382 -0.225 30 20 DBED C#CCCN1C[C@@H](O)[C@@H](CNC(=O)c2ccc3nnnn3c2)C1 958252687 CESRCUQSECZJRR-QWHCGFSZSA-N 314.349 -0.830 30 20 DBED Cc1nonc1C(=O)N(C)[C@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1O 958881889 QNZRLVZPYVPNGK-HGNGGELXSA-N 307.310 -0.819 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2nccs2)C1 958936821 XEMKKLNZHGFQCT-UTLUCORTSA-N 308.363 -0.054 30 20 DBED C#Cc1ccc(C(=O)N2C[C@H](O)[C@H](NC(=O)C(F)F)C2)nc1 961074231 ISAZCQOEBPCGKK-MNOVXSKESA-N 309.272 -0.371 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CN(C(=O)C(C)(C)C(N)=O)C[C@H]2C1 961757148 DLHYZFOLFQJAFU-MXWKQRLJSA-N 306.366 -0.426 30 20 DBED N#CCN1C[C@H]2[C@H](NC(=O)C3(N4CCOCC4)CCC3)[C@H]2C1 962161842 DNNCAMHMILFTAX-WDNDVIMCSA-N 304.394 -0.189 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C(C)(C)C)C[C@@H]1O 968345917 OXPHLUFRFBVWFD-RDBSUJKOSA-N 321.421 -0.182 30 20 DBED CC#CCN1CC[C@@H](C)[C@H](NC(=O)c2cn(CC(N)=O)nn2)C1 968681585 KDYUHMLOIPZIAR-VXGBXAGGSA-N 318.381 -0.773 30 20 DBED C#CCCN1CC([C@@H](C)NC(=O)[C@@H]2CC(=O)N(CCOC)C2)C1 969790259 VORAVLOGGKCUIY-ZIAGYGMSSA-N 321.421 -0.059 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)[C@@]3(CC)CCNC3=O)C2)C1 972424135 ZGTLCHOEYZPDJR-IRXDYDNUSA-N 319.405 -0.161 30 20 DBED C#CCCN1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C(C)(C)C1 975030990 OWVJKJCLDLWAPD-YNEHKIRRSA-N 307.394 -0.131 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CN([C@H](C)C(N)=O)CC2(C)C)nn1 977276569 ZNDLZBUWIPFIJI-ZYHUDNBSSA-N 320.397 -0.222 30 20 DBED CC(=O)N1CCOC[C@H]1C(=O)N[C@H]1CN(CC#N)CC1(C)C 977612391 HGDUICNDZCBOQO-STQMWFEESA-N 308.382 -0.416 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2C[C@H](NC(=O)C(N)=O)C2)nc1 980081267 IRWQQSABZFUZLN-XYPYZODXSA-N 300.318 -0.827 30 20 DBED C=C(C)CN[C@@H]1C[C@@H](C)N(C(=O)c2cn(C)c(=O)n(C)c2=O)C1 989510494 HCPUOTDUENASQZ-VXGBXAGGSA-N 320.393 -0.147 30 20 DBED CC#CCN1CCC[C@H](NC(=O)c2nnc(O)nc2O)[C@@H]1C 993547045 KZRCTTHLCAGCQZ-UWVGGRQHSA-N 305.338 -0.111 30 20 DBED Cc1nc(C(=O)N2CCC(NCC#N)CC2)nn1-c1nc[nH]n1 996865688 TYCWBBBQXCZLLU-UHFFFAOYSA-N 315.341 -0.588 30 20 DBED C[C@H](C#N)C(=O)N1CC(NC(=O)c2ccoc2CC(N)=O)C1 998521310 MUIINYLYZCXHEM-MRVPVSSYSA-N 304.306 -0.592 30 20 DBED CN(C(=O)[C@@H]1Cc2cncn2C(=O)N1)C1CC(NCC#N)C1 999159337 BYDDNKJZUAHZCN-CBINBANVSA-N 302.338 -0.532 30 20 DBED N#CCN1CC[C@@H](n2cc(CNC(=O)c3n[nH]cc3F)nn2)C1 1000012266 DBQRHZZIISUITJ-SNVBAGLBSA-N 318.316 -0.159 30 20 DBED CN1C[C@H](C(=O)NCC2CN(C(=O)C#CC3CC3)C2)CC1=O 1002459979 SIZKXZJVMCCNGB-CYBMUJFWSA-N 303.362 -0.547 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H]1CN(C)C(=O)c1nnn(C)n1 1002930943 LAGGTNHSMQPKRK-VHSXEESVSA-N 305.342 -0.567 30 20 DBED C[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1NC(=O)C(N)=O 1005208647 VCGAAOOPSCQZMV-KCJUWKMLSA-N 303.322 -0.662 30 20 DBED N#Cc1cc(C(=O)NC2[C@@H]3CN(C(=O)Cn4ccnc4)C[C@@H]23)c[nH]1 1012980846 BHLXRVRXAFUYFU-CHWSQXEVSA-N 324.344 -0.030 30 20 DBED C[C@@H](C#N)C(=O)N1CC=C(CNC(=O)c2cnn(C)n2)CC1 1017576047 GQHADTODBRCCCN-JTQLQIEISA-N 302.338 -0.137 30 20 DBED N#CCN[C@H]1CCN(C(=O)c2cnc3c(c2)NC(=O)CO3)C1 1019097080 UFXDKCQNWNWJNG-JTQLQIEISA-N 301.306 -0.260 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]2CN(C(=O)Cn3nccn3)C[C@H]21 1022566367 DXNSVKKNNUXNFJ-GRYCIOLGSA-N 302.338 -0.503 30 20 DBED Cn1cc(C(=O)NC[C@H]2CCCCN2CC#N)c(=O)n(C)c1=O 1024685496 JRHHZGVRHJKAFO-LLVKDONJSA-N 319.365 -0.808 30 20 DBED Cc1cncc(CC(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2O)c1 1024816466 COJAHUNTOBKSRD-MRVWCRGKSA-N 316.361 -0.220 30 20 DBED C[C@@H](NC(=O)C1CC(=O)NC(=O)C1)[C@@H]1CCCN(CC#N)C1 1025562937 WHZCQUACCOVOFP-GHMZBOCLSA-N 306.366 -0.221 30 20 DBED CC#CCN1CC[C@@H](N(C)C(=O)c2cnc(O)n(C)c2=O)C1 1033323087 COAIEDNVCKZMIW-LLVKDONJSA-N 304.350 -0.345 30 20 DBED C#CCCN1CCO[C@H](CNC(=O)c2ccc(N(C)C)nn2)C1 1035582491 HTKYYQXYEUDLKO-CYBMUJFWSA-N 317.393 -0.004 30 20 DBED C#CCCN1CCO[C@H](CNC(=O)c2cnn(C)c2OC)C1 1035594797 ZUTKLGCLWVZCJM-GFCCVEGCSA-N 306.366 -0.117 30 20 DBED C#CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1c(C)c(C)nn(C)c1=O 1037523898 BRWDJZIWPDVFAI-MBNYWOFBSA-N 300.362 -0.167 30 20 DBED C#CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)c1cnn(CCN(C)C)c1 1037619295 HRELOJBSVZCZHV-SNPRPXQTSA-N 301.394 -0.120 30 20 DBED CC#CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)Cn1nc(C)ccc1=O 1037678086 BSUAQXGGNKUYRX-DVOMOZLQSA-N 300.362 -0.236 30 20 DBED C#CCOc1ncccc1C(=O)N[C@@H]1[C@H]2C[C@H]1N(CC(N)=O)C2 1037681630 CWJNEQRLPTWRRM-ZKYQVNSYSA-N 314.345 -0.619 30 20 DBED CC#CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)CN1C(=O)CN(C)C1=O 1037712041 DIHJIJINDUCOGI-UHIISALHSA-N 304.350 -0.907 30 20 DBED O=C(C#CC1CC1)NC[C@]1(O)CCN(C(=O)c2cnns2)C1 1039677397 HNHPCIFFHOWGBX-CQSZACIVSA-N 320.374 -0.355 30 20 DBED CC(=O)NC(C)(C)C(=O)NC[C@]1(O)CCN(C(=O)[C@@H](C)C#N)C1 1040310714 VOUZEDSPZAIMNN-ZUZCIYMTSA-N 324.381 -0.860 30 20 DBED C[C@@H]1CN(C(=O)C(N)=O)C[C@@]1(C)CNc1cnc(C#N)cn1 1040348887 VAXJCKSEAVQTNV-YMTOWFKASA-N 302.338 -0.270 30 20 DBED C#CCCCC(=O)N1CC[C@@](O)(CNC(=O)CCN(C)C)C1 1040796421 WMOJKJHCJPFMBO-MRXNPFEDSA-N 309.410 -0.179 30 20 DBED C[C@@H]1C[C@@H]1C(=O)NCC1(O)CN(C(=O)c2ccc(C#N)[nH]2)C1 1041285936 OUTKROVRMBXQFU-KOLCDFICSA-N 302.334 -0.155 30 20 DBED C#CCC1(C(=O)N2CC(O)(CNC(=O)[C@H]3CCOC3)C2)CCC1 1041883952 OARJMQDXARPTBH-ZDUSSCGKSA-N 320.389 -0.094 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(O)CN(C(=O)c2ocnc2C)C1 1042806384 GGPGVQYVUDXVSI-CQSZACIVSA-N 323.349 -0.387 30 20 DBED C=C1CC(C)(C(=O)N2CC(O)(CNC(=O)[C@@H]3COC(=O)N3)C2)C1 1042863132 PEGGATONIVHWEZ-JTQLQIEISA-N 323.349 -0.859 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)CCc2cnc[nH]2)C1 1043524318 FMDIOMGANMZJKZ-UHFFFAOYSA-N 318.377 -0.309 30 20 DBED C=CCCOCC(=O)NCC1(O)CN(C(=O)C2=CCOCC2)C1 1043568949 RBGKLNYNLOQBQC-UHFFFAOYSA-N 324.377 -0.385 30 20 DBED Cc1c[nH]cc1C(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1043959033 MPQQOWITVBYPHQ-OLZOCXBDSA-N 312.333 -0.036 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CN([C@@H]2CCNC2=O)C1 1044038562 COFHGCVLKQEVGU-MJBXVCDLSA-N 307.394 -0.001 30 20 DBED C=CCC1(C(=O)N2CC(O)(CNC(=O)c3nc[nH]n3)C2)CCC1 1044783212 UYQRAJRHCZVWHO-UHFFFAOYSA-N 319.365 -0.146 30 20 DBED C=CCC1(C(=O)N2CC(O)(CNC(=O)C(N)=O)C2)CCCCC1 1045500792 VYZSYJQKQAYDDH-UHFFFAOYSA-N 323.393 -0.312 30 20 DBED Cc1c(C(=O)N2CC(O)(CNC(=O)[C@H](C)C#N)C2)cnn1C 1045539983 BNTKLNYFNAJSQB-SECBINFHSA-N 305.338 -0.809 30 20 DBED CC#CCN1CC[C@](C)(NC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 1046505361 HDFLPTVKKRMTQG-BBRMVZONSA-N 315.377 -0.031 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)CCc2cnn(C)n2)C1 1046725967 TWCPWGZGRQYXPI-UHFFFAOYSA-N 321.381 -0.597 30 20 DBED CN(C(=O)C(C)(F)F)[C@H]1CN(C(=O)CSCC#N)C[C@@H]1O 1048010645 JNWQOQIDOWVXMX-IUCAKERBSA-N 321.349 -0.072 30 20 DBED CC(C)C#CC(=O)N(C)[C@H]1CN(C(=O)c2cn[nH]c2)C[C@@H]1O 1048798595 LCNNOHBUFDTUPH-STQMWFEESA-N 304.350 -0.287 30 20 DBED CC#CCN1C[C@H]2CN(C(=O)CN3CCC(=O)NC3=O)C[C@H]2C1 1049154683 KOHMVGFTZYGVRR-BETUJISGSA-N 318.377 -0.658 30 20 DBED C#Cc1ccc(C(=O)N2C[C@@H]3CN([C@@H](C)C(N)=O)C[C@@H]3C2)nc1 1049177897 UBOMEOCAPRCKFI-FPMFFAJLSA-N 312.373 -0.060 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)C2=COCCC2)C[C@@H]1O 1049388043 FFCDNCVWERBMES-DRZSPHRISA-N 307.350 -0.130 30 20 DBED C#CCN1CCC(C(=O)NC[C@@H]2COCCN2CC#N)CC1 1051254593 KGTIHZGPLXJKMO-OAHLLOKOSA-N 304.394 -0.328 30 20 DBED N#CCN1CCOC[C@H]1CNC(=O)c1cc(C(N)=O)ccn1 1051273563 QIZKXSJJDWHEAC-LLVKDONJSA-N 303.322 -0.865 30 20 DBED N#CCN1CCN([C@@H]2CCN(C(=O)Cn3cncn3)C2)CC1 1052114274 JFLMKLUOIBBHBX-CYBMUJFWSA-N 303.370 -0.980 30 20 DBED CCn1ncc(C(=O)NC[C@@H]2CCC3(CN(CC#N)C3)O2)n1 1053595934 GZOYPPRIMWVZKA-NSHDSACASA-N 304.354 -0.215 30 20 DBED C#CCN1CC[C@@]2(CCCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)C1 1054196773 MVIAMWNMVXXZPF-VBQJREDUSA-N 319.405 -0.033 30 20 DBED C#CCN1CC[C@]2(CCCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C2)C1 1054206287 HBTYRDHTSPGPRZ-BLLLJJGKSA-N 318.377 -0.468 30 20 DBED N#Cc1ccc(N2CCN(C(=O)[C@@H]3COCCO3)CC2)nn1 1055727780 HJAPZIMSWZYQCS-LBPRGKRZSA-N 303.322 -0.588 30 20 DBED CN(C)CCC(=O)N[C@@]1(CO)CCCN(C(=O)C#CC2CC2)C1 1056103784 RPFRBCPHVCAMKU-KRWDZBQOSA-N 321.421 -0.179 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)CCNC(N)=O 1056537334 JHIPDPZVQYLNAR-UTUOFQBUSA-N 321.381 -0.204 30 20 DBED C=C[C@@](C)(O)CC(=O)N(CCO)CCNC(=O)c1ncc[nH]1 1057449392 BDFDTWKVASEFHQ-CQSZACIVSA-N 310.354 -0.713 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)c1cnnn1CC 1057505879 AQRDSQVXFDRORR-UHFFFAOYSA-N 321.381 -0.348 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)C1(COC)CC1 1058085694 RYZLYKFVNNGYSS-UHFFFAOYSA-N 314.382 -0.447 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)Cn1cncc1C 1058111028 HKSQPVXMTHJUQM-UHFFFAOYSA-N 324.381 -0.669 30 20 DBED CN1C[C@@H](C(=O)N[C@H]2CCN(c3nccnc3C#N)C2)CC1=O 1058578606 XEYRYNOEHVWTGG-QWRGUYRKSA-N 314.349 -0.479 30 20 DBED N#Cc1cnc(N[C@H]2C[C@H](NC(=O)[C@H]3CCNC(=O)C3)C2)cn1 1059184463 BCKAWJBCKISHLQ-DCAQKATOSA-N 314.349 -0.066 30 20 DBED C=CCOCC(=O)NCC[C@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1 1060029470 JWCZSRYUWMDDBP-STQMWFEESA-N 323.393 -0.178 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCN(C(=O)CCNC(N)=O)CC2)C1 1061112791 LLCARMPMOSWIFB-LLVKDONJSA-N 321.381 -0.345 30 20 DBED Cn1nnc(C(=O)NC[C@@H]2CCN(c3cnc(C#N)cn3)C2)n1 1061705683 IXQDEKPOCJXABR-VIFPVBQESA-N 313.325 -0.872 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)Cc1cnc[nH]1 1061853689 UNMGTVZLCIAXPX-PWSUYJOCSA-N 305.338 -0.545 30 20 DBED C#CCO[C@H](C)C(=O)N1CCCC[C@@H]1CNC(=O)c1cnn[nH]1 1062213818 JDKUKWLSZVIDML-VXGBXAGGSA-N 319.365 -0.046 30 20 DBED N#Cc1cccnc1N1CCO[C@@H](CNC(=O)c2cnon2)C1 1063638975 ISTXXRPXFWOXNC-NSHDSACASA-N 314.305 -0.029 30 20 DBED CCn1nncc1C(=O)N[C@H]1[C@H]2C[C@H]1N(c1ccc(C#N)nn1)C2 1064246065 GFFAHTVNZUCCBS-PXWWUCIGSA-N 324.348 -0.033 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCC1(NC(=O)CC(=O)NC)CCC1 1064583673 JHJIEBRRRSUXQN-NEPJUHHUSA-N 323.393 -0.131 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@H]1CN(C(C)=O)CCO1 1064711943 UXRKBUHJMLIKNR-KBPBESRZSA-N 311.382 -0.179 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CN(C(=O)C2=COCCO2)CCO1 1064801377 QEDCDHBRURYLPS-MNOVXSKESA-N 309.322 -0.622 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)[C@H](C)NC(N)=O)CCO1 1065082779 CZTDREWSDFTDBX-RYUDHWBXSA-N 324.381 -0.954 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)[C@@H]2COC(=O)N2)CCO1 1065109492 ZKWZVJDUCQGJJX-NEPJUHHUSA-N 323.349 -0.758 30 20 DBED C=C(C)CCC(=O)NC[C@H]1CN(C(=O)[C@@H]2CNC(=O)N2)CCO1 1065540740 VCQSMHUFVIKRCP-RYUDHWBXSA-N 324.381 -0.632 30 20 DBED C[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@@H]1N=c1cc[nH]c(C#N)n1 1067186036 BKOPYRGAXHQOBC-ZJUUUORDSA-N 314.349 -0.706 30 20 DBED N#Cc1nccnc1N1C[C@H](O)[C@H](CNC(=O)c2ccccn2)C1 1067642759 KAZTUSNHISEMDD-RISCZKNCSA-N 324.344 -0.030 30 20 DBED CNC(=O)C1(C(=O)N(C)CCCN(C)C(=O)[C@H](C)C#N)CC1 1067774087 LQLREIJRTSNJCO-LLVKDONJSA-N 308.382 -0.021 30 20 DBED C#CCCCC(=O)N1CC2(CN(C(=O)CNC(C)=O)CCO2)C1 1068279746 REOIQWOCBRWSHU-UHFFFAOYSA-N 321.377 -0.634 30 20 DBED C#CCO[C@H](C)C(=O)N1CCOC2(CN(C(=O)C3CC3)C2)C1 1068396936 SWXRTDBAKIZGAE-GFCCVEGCSA-N 306.362 -0.126 30 20 DBED CN(c1ccnc(C#N)n1)C1CCN(C(=O)CC(N)=O)CC1 1068658445 FOLUNSPXXBMRJT-UHFFFAOYSA-N 302.338 -0.349 30 20 DBED C=CCCC(=O)N1CC2(C[C@H](NC(=O)C3(C(N)=O)CC3)CO2)C1 1068993288 USHKTDMSRVDVMF-NSHDSACASA-N 321.377 -0.296 30 20 DBED CN(C(=O)c1nnn(C)n1)C1CC(N=c2cc[nH]c(C#N)n2)C1 1069790268 ZARDANGKAIFJCG-UHFFFAOYSA-N 313.325 -0.991 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](n2ccnn2)[C@H](NCc2ccon2)C1 1070157219 OBIRPMBFCUBAKP-UHTWSYAYSA-N 315.337 -0.033 30 20 DBED Cc1cnc(C(=O)N2CCC(=O)NCCN(CC#N)CC2)cn1 1070934660 MHMORKHLYBNXIO-UHFFFAOYSA-N 316.365 -0.427 30 20 DBED C[C@H]1CN(C(=O)CN2CCCC2=O)C[C@@]2(CCN(CC#N)C2)O1 1071133855 HUEWHLWUUNCETP-BBRMVZONSA-N 320.393 -0.176 30 20 DBED C#CCCN1CC[C@]2(C1)CN(C(=O)c1nnn(C)n1)C[C@@H](C)O2 1071197662 WKSFVIBZIAVNHL-DOMZBBRYSA-N 318.381 -0.461 30 20 DBED CC(=O)NCC(=O)N1C[C@@H](C)[C@@H](NC(=O)CSCC#N)C1 1071496212 QGOALSXKGJHBFN-KOLCDFICSA-N 312.395 -0.658 30 20 DBED CC#CCCCC(=O)N[C@H]1CN(C(=O)CNC(N)=O)C[C@@H]1C 1071555849 FOEHVAADDZQIRZ-RYUDHWBXSA-N 308.382 -0.189 30 20 DBED C#Cc1cncc(C(=O)N2CC[C@@H]3OCCN(CCO)[C@@H]3C2)c1 1074336693 UNAWCUMAIJNMAB-CVEARBPZSA-N 315.373 -0.030 30 20 DBED C=C[C@@](C)(O)CC(=O)N1C[C@H]2CCN(C(=O)C(N)=O)CC[C@H]2C1 1074360433 YHXMJBPPVIPTRH-BFQNTYOBSA-N 323.393 -0.504 30 20 DBED COc1ncc(C(=O)N2CC[C@H]3OCCN(CC#N)[C@H]3C2)cn1 1074377446 KSUIMXITVFIXNJ-QWHCGFSZSA-N 317.349 -0.076 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](NC(=O)COCC)C[C@H]1C 1074791898 NTWWNPVKGOJKOS-OLZOCXBDSA-N 323.393 -0.342 30 20 DBED C=CCOCC(=O)N[C@@H](C)CCNC(=O)Cc1n[nH]c(C)n1 1076435060 APDPLSQDSIRQKJ-JTQLQIEISA-N 309.370 -0.131 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)[C@H](C)OCC=C 1077066012 DQZDQFLMSWUQLN-STQMWFEESA-N 323.393 -0.272 30 20 DBED C[C@@H](CCNC(=O)[C@H](C)C#N)NC(=O)c1ccc(C(N)=O)nc1 1078134697 GLOVCAZMPPTILQ-ZJUUUORDSA-N 317.349 -0.035 30 20 DBED C=CCOCC(=O)N1CC(N(CC)C(=O)CC(=O)NCC)C1 1079646034 VBTXBMMKCUTOTN-UHFFFAOYSA-N 311.382 -0.226 30 20 DBED C=CCOCC(=O)N1CC(N(CC)C(=O)[C@H]2CCCNC2=O)C1 1079950053 ZEILXGHILFHXSW-ZDUSSCGKSA-N 323.393 -0.226 30 20 DBED C#CCNC(=O)CC(=O)N1CC(N(CC)C(=O)CCN(C)C)C1 1080442409 ZMEDZDIIDHWKCC-UHFFFAOYSA-N 322.409 -0.863 30 20 DBED Cc1ncc(C(=O)NC2(CO)CCN(C(=O)[C@@H](C)C#N)CC2)[nH]1 1080777108 HFWSHZZXOVFBTE-JTQLQIEISA-N 319.365 -0.039 30 20 DBED CCN(C)CCC(=O)N1CCC(CO)(NC(=O)[C@H](C)C#N)CC1 1080981621 ILDSRDPGRRLHTN-CYBMUJFWSA-N 324.425 -0.042 30 20 DBED C=C(C)C(C)(C)C(=O)N1C[C@H](O)[C@H](CNC(=O)CC(N)=O)C1 1081361032 XUSHAMOGPYOWBI-MNOVXSKESA-N 311.382 -0.600 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@@H]1O 1081463359 MCSACYLIILFZKX-NEPJUHHUSA-N 319.365 -0.976 30 20 DBED CNC(=O)CC(=O)N1C[C@H](CNC(=O)C#CC(C)(C)C)[C@@H](O)C1 1081472976 BFURIXMIHZTBPQ-RYUDHWBXSA-N 323.393 -0.893 30 20 DBED C=C1CC(C)(C(=O)NC[C@H]2CN(C(=O)CNC(C)=O)C[C@H]2O)C1 1081752343 IBJUKHJJHCTQJC-QWHCGFSZSA-N 323.393 -0.586 30 20 DBED C=CCO[C@H](C)C(=O)NC[C@@H]1CCCCN1C(=O)CC(N)=O 1081974611 TXHTZPNNUCWROP-NEPJUHHUSA-N 311.382 -0.050 30 20 DBED C=C(Cl)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)CS(C)(=O)=O 1083014193 XCEFRSFOWGMHNF-WDEREUQCSA-N 322.814 -0.305 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)Cc2cn(C)nc2Cl)C1 1083777847 PNPFACDIKXPXPP-NEPJUHHUSA-N 310.785 -0.199 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@@H](C2CC2)N2CCOCC2)C1 1084079874 WWTLVPXATHRIGI-OWCLPIDISA-N 321.421 -0.718 30 20 DBED N#CCN1CC[C@@H]2CCN(C(=O)[C@H]3CCS(=O)(=O)N3)C[C@@H]21 1085095731 HVKJIUBXESNXCJ-UTUOFQBUSA-N 312.395 -0.876 30 20 DBED N#CCN[C@H]1C[C@H](CNC(=O)[C@@]23C[C@H]4C[C@H](C(=O)N2)[C@H]3C4)C1 1086410940 MGYJVOUQNLQLIR-UVXMZDTFSA-N 302.378 -0.091 30 20 DBED CC[C@@H]1[C@@H](NC(=O)[C@H]2CCN(C)S2(=O)=O)CCN1CC#N 1087758173 FPAYSQWXZOTHQX-QJPTWQEYSA-N 314.411 -0.487 30 20 DBED C#CCN1C[C@@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CCn2cnnn2)C1 1089882325 XGBAUJCJAJXWFE-XQLPTFJDSA-N 314.393 -0.135 30 20 DBED N#CCN1C[C@@H](NC(=O)[C@H]2COCCO2)CC2(CCOCC2)C1 1089927791 UGINXAYRQQZSOI-UONOGXRCSA-N 323.393 -0.087 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2cn(CCOC)nn2)[C@H](O)C1 1090255144 DFTKJEOGNRVRHI-GXTWGEPZSA-N 321.381 -0.887 30 20 DBED C#CCCN1CC[C@H](NC(=O)Cc2cn(C)nc2C)[C@@H](O)C1 1090332380 XCNVITJEOPVEGV-GJZGRUSLSA-N 304.394 -0.154 30 20 DBED C#Cc1ccccc1CC(=O)N[C@H]1CCN(CCO)C[C@H]1O 1090763107 DJFJDSPUXBRHBM-JKSUJKDBSA-N 302.374 -0.246 30 20 DBED COC[C@@H](C)C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1OC 1090867984 GOJGBGQZWMNPGI-RAIGVLPGSA-N 319.365 -0.049 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CN(c2ncnc3c2cnn3C)C[C@@H]1O 1091079855 YIAGEIIAVKNXBO-IEBDPFPHSA-N 315.337 -0.811 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(c2cnc(F)cn2)C[C@@H]1O 1091092533 JYYQTLSDGMAQRG-ISTVAULSSA-N 310.329 -0.392 30 20 DBED Cc1nc(N2CC[C@H](NC(=O)CC(N)=O)[C@@H](O)C2)ccc1C#N 1092134802 RJUGIUHXTXZTRR-RYUDHWBXSA-N 317.349 -0.807 30 20 DBED C#CCNC(=O)CC(=O)N1CCN(c2cc(C)nc(C)n2)CC1 1093149134 ZHORGYFOVLLIIP-UHFFFAOYSA-N 315.377 -0.118 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCN(c2nccn3nnnc23)CC1 1093160537 CWAJNONZVTWKFS-NSHDSACASA-N 317.353 -0.241 30 20 DBED N#Cc1cnccc1N1C[C@H]2[C@H](NC(=O)CCNC(N)=O)[C@H]2C1 1093267825 MIPURDHKBUJZLD-YABSGUDNSA-N 314.349 -0.438 30 20 DBED N#Cc1ccc(NCCCNC(=O)C[C@H]2CC(=O)NC2=O)cn1 1094485747 PJTJJCKLGYADHA-JTQLQIEISA-N 315.333 -0.076 30 20 DBED C#CCN1CCN(C(=O)C2=COCCC2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094612102 FGEDIMRDSISFFV-UONOGXRCSA-N 324.402 -0.376 30 20 DBED N#CCN1CCN(C(=O)c2cocn2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094612152 GBIWFEDVUCNFDC-WDEREUQCSA-N 310.335 -0.878 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)C[C@@H]3CCCCO3)CC2=O)C1 1094719153 AEDKGVQTLGEHAX-HIFRSBDPSA-N 319.405 -0.020 30 20 DBED CNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1c[nH]c(C#N)c1 1095329251 CHPYFOPROXZPJW-AGIUHOORSA-N 301.350 -0.033 30 20 DBED C[C@@H](CC(N)=O)C(=O)N[C@@H]1CCN(c2ccc(C#N)nn2)C1 1096458257 QQPVXGJXAFLGHP-GXSJLCMTSA-N 302.338 -0.445 30 20 DBED CN(C)CCOCC(=O)N1CC[C@H](Nc2ccc(C#N)nn2)C1 1096947022 HTVJSFNEWKZIRH-ZDUSSCGKSA-N 318.381 -0.061 30 20 DBED C[C@@H](CC(N)=O)C(=O)N1CC[C@H](N=c2cc[nH]cc2C#N)C1 1096973780 RNKMJDVKUYFLMD-JQWIXIFHSA-N 301.350 -0.101 30 20 DBED N#Cc1nc(=N[C@H]2C[C@@H](NC(=O)CCc3nc[nH]n3)C2)cc[nH]1 1097174579 KHMMVRDJWKXNFP-AOOOYVTPSA-N 312.337 -0.420 30 20 DBED C[C@H](CNC(=O)[C@H]1COCCN1C)Nc1nccnc1C#N 1097764114 AXGXNKMEKMFMRX-ZYHUDNBSSA-N 304.354 -0.405 30 20 DBED C[C@@H](CNC(=O)c1cccn(C)c1=O)N=c1cc[nH]c(C#N)n1 1097959872 YEDXEDQFDMFGJA-JTQLQIEISA-N 312.333 -0.301 30 20 DBED C=C(C)CN(CCO)C1CCN(C(=O)[C@@H]2COC(=O)N2)CC1 1098360172 ZOIFHLKHMUAKBU-ZDUSSCGKSA-N 311.382 -0.044 30 20 DBED CCNC(=O)CC(=O)N1CC[C@H](n2cc(CNCC#N)nn2)C1 1098661008 ACYZKQHKCGCLRS-LBPRGKRZSA-N 319.369 -0.809 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(Cc2csnn2)C[C@@H]1O 1099741600 WAEWVIQBQUGHKD-RYUDHWBXSA-N 312.395 -0.208 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)c2cnn(C)c2N)[C@@H](O)C1 1099783843 XNULOACPCQSUPL-STQMWFEESA-N 323.397 -0.630 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCN(CCn2cccn2)C[C@H]1O 1099829866 JLPAZHDBFBGBAL-HUUCEWRRSA-N 320.393 -0.526 30 20 DBED C#CCOCCC(=O)NCCN(CC)c1nccn2nnnc12 1100620614 RAYRIWPGBONVHJ-UHFFFAOYSA-N 317.353 -0.498 30 20 DBED CNC(=O)CN1CC2(C[C@H](NC(=O)[C@@H](C)C#N)c3nccn32)C1 1101618021 YZFGLCIPAOXDTI-QWRGUYRKSA-N 316.365 -0.639 30 20 DBED CN(CCNc1cncc(C#N)n1)C(=O)C[C@@H]1CC(=O)NC1=O 1101680387 KOIWTYFOFKHEFM-VIFPVBQESA-N 316.321 -0.729 30 20 DBED CN(CCNc1ccc(C#N)cn1)C(=O)Cn1c(O)nnc1O 1101719463 ZABNTPGDJVFGSR-UHFFFAOYSA-N 317.309 -0.474 30 20 DBED CNC(=O)CC(=O)N1CC[C@H](CN(C)c2nccnc2C#N)C1 1102439862 OLYLBIBEUKNGHB-LLVKDONJSA-N 316.365 -0.231 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1CNC(=O)CCNC(=O)[C@@H]1CCCO1 1102616421 ZOIXLXKSXLDPOT-MCIONIFRSA-N 322.409 -0.121 30 20 DBED COC(=O)NCC(=O)NC[C@H](C)CNc1ccc(C#N)nn1 1103856623 HNSUQDJJMLVWBE-SECBINFHSA-N 306.326 -0.132 30 20 DBED C=CCNCC[C@@H]1CN(C(=O)c2cn(CC(N)=O)nn2)C[C@H]1C 1105064120 XTQJIYLYSNPIMQ-VXGBXAGGSA-N 320.397 -0.363 30 20 DBED C[C@H](O)CNCc1cn(C2CN(C(=O)CSCC#N)C2)nn1 1105169156 BPOJJVNQJPRJHB-JTQLQIEISA-N 324.410 -0.611 30 20 DBED CC[C@H](NCc1cn(C2CN(C(=O)[C@H](C)C#N)C2)nn1)C(N)=O 1105190376 VHWPANRMQMWUJH-SKDRFNHKSA-N 319.369 -0.825 30 20 DBED C=C(C)CNCc1cn(C2CN(C(=O)[C@H]3CNC(=O)N3)C2)nn1 1105314313 PVWFWPLWNJTJAL-GFCCVEGCSA-N 319.369 -0.992 30 20 DBED C#CCN1CC(OC2CCN(C(=O)[C@H](C)NC(C)=O)CC2)C1 1105684849 JGXPNRKBOJZGFF-LBPRGKRZSA-N 307.394 -0.164 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](O)CNC(=O)C2=CCOCC2)n1 1105798706 JMKYEJNVQJHGEY-ZDUSSCGKSA-N 317.349 -0.108 30 20 DBED CCn1cc(C(=O)NC[C@H](O)CN=c2cc[nH]cc2C#N)nn1 1105953997 NAOITGYLCUAJDW-LLVKDONJSA-N 315.337 -0.811 30 20 DBED Cc1nocc1C(=O)NC[C@@H](O)CN=c1cc[nH]cc1C#N 1106083271 LCOIYRJZIHSPKD-NSHDSACASA-N 301.306 -0.126 30 20 DBED Cc1cc(C#N)nc(NC/C=C\CNC(=O)[C@H]2CCNC2=O)n1 1107450680 FQAAQWYBDMLGOU-ZZKXABKFSA-N 314.349 -0.123 30 20 DBED COCC#CCN1CCO[C@@](C)(CNC(=O)c2cn(C)cn2)C1 1107871275 AZEQGZYSRMMAEX-INIZCTEOSA-N 320.393 -0.109 30 20 DBED CC#CCN1CCO[C@](C)(CNC(=O)[C@@H]2CCC(=O)N2C)C1 1108136927 VUSWMDKHQKVCBY-XJKSGUPXSA-N 307.394 -0.162 30 20 DBED C[C@@H](CNc1nccnc1C#N)NC(=O)c1ccc(=O)n(C)n1 1108378260 YVPWLLWPPGAPLD-VIFPVBQESA-N 313.321 -0.328 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)CN(C)C3CCC3)CC2=O)C1 1108552382 KSDFUTZNANDWLC-ZDUSSCGKSA-N 318.421 -0.495 30 20 DBED C#CCNC(=O)CN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCOC)C2 1108598802 NXEWULPLJZSXHC-MJBXVCDLSA-N 307.394 -0.259 30 20 DBED C=CCOCC(=O)N1C[C@H]2C[C@H](NCc3nnnn3C)C[C@H]1C2 1108649199 FMXBHVMDHBVSDP-RWMBFGLXSA-N 320.397 -0.118 30 20 DBED C[C@H](CN(C)c1ccnc(C#N)n1)NC(=O)COCCN(C)C 1109039067 GTWLSJYPYHRVOA-GFCCVEGCSA-N 320.397 -0.133 30 20 DBED C[C@H](CN(C)c1ccc(C#N)nn1)NC(=O)Cn1nccn1 1109104331 WHDBZGXHTJJOBE-SNVBAGLBSA-N 300.326 -0.419 30 20 DBED C[C@H](CN(C)c1cnc(C#N)cn1)NC(=O)[C@H]1C[C@H]1C(N)=O 1109235687 GQJNYCTUSMPJBL-IEBDPFPHSA-N 302.338 -0.589 30 20 DBED CN(C)C(=O)CC(=O)N[C@H]1[C@H]2C[C@H]1N(c1cnc(C#N)cn1)C2 1109743015 GXKAXQOMAQXBSW-ISOBSLSZSA-N 314.349 -0.480 30 20 DBED C[C@@]1(C(=O)NCC2(Nc3cnc(C#N)cn3)CC2)CCNC1=O 1110344850 ZYGWDVCJFSKUIU-CQSZACIVSA-N 314.349 -0.065 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H]1COCCN1c1nccnc1F 1111700194 KKXODTCVDJFUPW-VXGBXAGGSA-N 322.340 -0.025 30 20 DBED N#Cc1nccnc1NC1(CNC(=O)[C@H]2CCNC2=O)CCC1 1111880544 FOYHDCKSDUOBLW-JTQLQIEISA-N 314.349 -0.065 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(c2cc(F)ncn2)C[C@H]1O 1112720689 OLWFSXSQFQUXRO-VXGBXAGGSA-N 304.325 -0.058 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)CCc2nc[nH]n2)CC1 1112757209 IXJUAJJJKDTLPA-LBPRGKRZSA-N 318.381 -0.981 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)C23CCN(CC2)C3)CC1 1113543741 BBMADPRUWONPBH-CQSZACIVSA-N 318.421 -0.636 30 20 DBED C[C@H](CNC(=O)[C@@H]1COCCN1C)N(C)c1cncc(C#N)n1 1113561070 RRTIRZUUNIMNNP-YPMHNXCESA-N 318.381 -0.380 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)C(=O)C(C)(C)C)[C@H]2C1 1114077171 NPOVVKNOXBPTTJ-QWRGUYRKSA-N 307.394 -0.050 30 20 DBED COCC#CCN1C[C@@H]2C(NC(=O)Cc3ccnn3C)[C@H]2C1 1114185805 BODTXMHBQIJWBS-KBPBESRZSA-N 302.378 -0.341 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)[C@H](OC)C3CC3)[C@@H]2C1 1114203820 JWLQMOKRVAZGND-LALPHHSUSA-N 305.378 -0.793 30 20 DBED C=CCOCCN1C[C@H]2C(NC(=O)CN3CCOCC3=O)[C@@H]2C1 1114411547 GUSLEXKRLCTUSX-CHWSQXEVSA-N 323.393 -0.906 30 20 DBED COCC(C)(C)CC(=O)NC1[C@H]2CN(CC(=O)NCC#N)C[C@H]12 1114611154 QNGOZJQBWYFXQI-RYUDHWBXSA-N 322.409 -0.265 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)CCN(C)C)[C@H]2C1 1114780179 GGJGRDRENIBWJH-AVGNSLFASA-N 308.426 -0.325 30 20 DBED C=C1CC(C)(C(=O)NC2[C@@H]3CN([C@@H](C)C(=O)NC(N)=O)C[C@@H]23)C1 1114806563 YDHYAOMPDMOHAM-HBNTYKKESA-N 320.393 -0.028 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@H](C)CCCOC)[C@H]2C1 1115086336 SCSGUDXIQANMQI-NYTXWWLZSA-N 321.421 -0.155 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)CN3CCCC3)[C@H]2C1 1115243519 PHBFJUIMUNKQNJ-TTZDDIAXSA-N 318.421 -0.734 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)N2CC[C@H](CCCO)C2)C1 1118250799 XKKGLIOIBMKOPT-WFASDCNBSA-N 309.366 -0.516 30 20 DBED Cc1cc(=N[C@@H](CO)CNC(=O)C[C@@H]2CCOC2)c(C#N)c[nH]1 1121398322 HCNUZCMFUHZPNZ-GXTWGEPZSA-N 318.377 -0.001 30 20 DBED CN(C)CCOCC(=O)NC[C@H](CO)Nc1ccc(C#N)nc1 1121806213 JASQZLBBYWZIHH-CQSZACIVSA-N 321.381 -0.580 30 20 DBED CN(C)CCCC(=O)N(C)C[C@@H](O)CNc1cncc(C#N)n1 1124683963 VBBUYUZUJLQQED-ZDUSSCGKSA-N 320.397 -0.079 30 20 DBED C=CCCC(=O)N[C@H]1CCc2nnc(CNCC(N)=O)n2CC1 1127958252 AJFKSIYJMGOTPA-NSHDSACASA-N 320.397 -0.360 30 20 DBED CN(C)CCCC(=O)N1C[C@H](n2ccnn2)[C@H](NCC#N)C1 1129985080 OHXSTULSFGJUPC-OLZOCXBDSA-N 305.386 -0.515 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CCc2cncn2C1 1130487435 GPQJBIDSVQSYEP-OLZOCXBDSA-N 317.393 -0.711 30 20 DBED C#CCCN1CCOC[C@H]1c1n[nH]c(CNC(=O)[C@@H](C)C#N)n1 1130834520 AUEMXKQNTCOEPT-RYUDHWBXSA-N 316.365 -0.023 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H](C)[C@H](CNCC(N)=O)C2)nn1 1133153958 AMNKPTUIQJBXNR-NWDGAFQWSA-N 320.397 -0.363 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)C(C)(C)NC(C)=O 1135381078 MHFDCXOJLLNMAT-UHFFFAOYSA-N 324.425 -0.193 30 20 DBED N#CCNC(=O)CN1CCC2(C1)CN(C(=O)Cc1cnc[nH]1)C2 1148350933 FNYICAMMVUDYIX-UHFFFAOYSA-N 316.365 -0.874 30 20 DBED C=C(C)CN1CCC2(C1)CN(C(=O)C[C@H](NC(C)=O)C(N)=O)C2 1148390601 HGJZZRUIUKQJNP-ZDUSSCGKSA-N 322.409 -0.523 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CN(CC(=O)NC2CC2)CCCO1 1149409506 UTQQSDJCEOLBIR-WCQYABFASA-N 308.382 -0.368 30 20 DBED COCC#CCN1CCCO[C@H](CNC(=O)c2ccn(C)n2)C1 1150706436 JGQFFYVHQGUBCK-CQSZACIVSA-N 320.393 -0.109 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@@H](C)NC(=O)C1CCC1 1153694230 ZTCDZHAZGUNMMS-LLVKDONJSA-N 310.398 -0.701 30 20 DBED C=CCOCC(=O)NCCCNCC(=O)NC[C@@H]1CCOC1 1155712970 XHRUUJGVTSWHAY-ZDUSSCGKSA-N 313.398 -0.562 30 20 DBED C#CCO[C@H](C)C(=O)NCCCNCCCS(=O)(=O)CC 1157880851 UJDMTSMHOOWBEN-CYBMUJFWSA-N 318.439 -0.055 30 20 DBED C=CCNC(=O)CNCCCNC(=O)c1cc(C(N)=O)co1 1166478190 KEBRQXJYRPFSKX-UHFFFAOYSA-N 308.338 -0.610 30 20 DBED C=CCNC(=O)CNCCCNC(=O)c1cncc(OC)n1 1167704644 AIQHTKYDLKDGAR-UHFFFAOYSA-N 307.354 -0.503 30 20 DBED CC(C)=CC(=O)N1CC[C@@H]2OCCN(CC(=O)NCC#N)[C@@H]2C1 1176899485 AJGIZFNKQABVEX-KGLIPLIRSA-N 320.393 -0.106 30 20 DBED C/C=C(\C)C(=O)N1CC[C@@H]2OCCN(CC(=O)NCC#N)[C@H]2C1 1176969523 MQTBYQIHKTWUJS-ZBSJMHBDSA-N 320.393 -0.106 30 20 DBED Cc1noc(C)c1C(=O)N1CC[C@@H](NCC(=O)NCC#N)C1 1180915018 YGGPQAQHIHRTPE-LLVKDONJSA-N 305.338 -0.265 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)c2cncc(OC)n2)C1 1186096818 MQZZEQFQOGVODF-LLVKDONJSA-N 319.365 -0.409 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)CNC(N)=O)CC12CCOCC2 1186245155 GBOFLDSFAJDVHC-CYBMUJFWSA-N 322.409 -0.477 30 20 DBED CCS(=O)(=O)NCCN(C)[C@H]1CCN(C(=O)[C@@H](C)C#N)C1 1189401092 RYWNQBJBHZXPBR-RYUDHWBXSA-N 316.427 -0.382 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](N(C)Cc2ccon2)C1 1189759876 DFRIQNVJZBTMIS-ZDUSSCGKSA-N 304.350 -0.153 30 20 DBED CNC(=O)NCCC(=O)N1CC[C@@H](N(C)CC#CCOC)C1 1189983104 FEWFGRFZIXQWOO-CYBMUJFWSA-N 310.398 -0.512 30 20 DBED N#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)Cc2cccs2)C1 1190668071 GMZCYNQDMCIOGC-VXGBXAGGSA-N 322.390 -0.908 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2c[nH]nc2CC)C1 1191101707 UAIVFBFHPIIVQP-LBPRGKRZSA-N 317.393 -0.132 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C(=O)C(C)(C)C)C1 1191888049 HHYKIXDIEKNNJC-GHMZBOCLSA-N 311.382 -0.935 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2cc(C)sn2)C1 1192546996 KWBRGKHGVAIECW-VXGBXAGGSA-N 324.406 -0.471 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H](N(C)CC(=O)NCC)C2)nn1 1192724538 UXKLZUHYLSDKHY-LBPRGKRZSA-N 320.397 -0.254 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCN(C)[C@@H]2C)C1 1193102433 JMAHMFCZKNFUNS-KBUPBQIOSA-N 311.426 -0.310 30 20 DBED Cc1nonc1CC(=O)N1CC[C@@H](N(C)CC(=O)NCC#N)C1 1193169781 FDMFQHYQGXXOJF-LLVKDONJSA-N 320.353 -0.907 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCCN(C(=O)c2cncn2C)CC1 1196430844 VZEIXUZXRZNBSA-CYBMUJFWSA-N 317.393 -0.294 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)c2cnn(CCOCC)c2)C1 1197274044 NWAXQPSQPZSSGJ-HUUCEWRRSA-N 320.393 -0.282 30 20 DBED N#CCNC(=O)CNC[C@H]1CN(C(=O)c2ccon2)CCCO1 1199990718 RKWACNXUZUWAOX-NSHDSACASA-N 321.337 -0.865 30 20 DBED C#CCNC[C@@H]1CN(C(=O)c2nc(C)c(C)[nH]c2=O)CCCO1 1200786816 IWACUUVQDMZBFG-CYBMUJFWSA-N 318.377 -0.159 30 20 DBED C=CCCNC[C@H]1CN(C(=O)CS(=O)(=O)NC)CCCO1 1202089016 ZZWLIIQEIDNUEE-LBPRGKRZSA-N 319.427 -0.681 30 20 DBED N#CCNC(=O)CN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)c1cnco1)C2 1204606741 KMMQGCWUMVYICN-IJLUTSLNSA-N 317.349 -0.103 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)c2cnsn2)[C@H](C)C1 1206252233 DLHYAQBSUMDYSX-JFGNBEQYSA-N 321.406 -0.274 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@H]2CCCOC2)C1 1207660894 QWLSSLSDAKYXGA-QWHCGFSZSA-N 308.382 -0.367 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCCN(C(=O)CCOCC#C)C1 1208029061 NSIXADBHYBHWBP-CABCVRRESA-N 319.405 -0.255 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCCN(C(=O)c2nc[nH]n2)C1 1210205966 IDDLKSRKGVNIBB-MNOVXSKESA-N 304.354 -0.863 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCN(C(=O)CN2CCCC2)C1 1211080108 ASVOCOFEXGGQFX-CYBMUJFWSA-N 307.398 -0.697 30 20 DBED COCC#CCN1C[C@@H](NC(=O)c2nnn(C)c2C)[C@H](OC)C1 1212067586 ZTJZTHXOARTQRA-CHWSQXEVSA-N 321.381 -0.798 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)c2ocnc2C)[C@H](OC)C1 1212078450 HUMFSTKLTSUNDN-VXGBXAGGSA-N 322.365 -0.286 30 20 DBED C=CCOCCN[C@@H]1CN(C(=O)[C@H]2COCCN2C)C[C@H]1C 1214459236 SLKZEDXOGBSAGE-RBSFLKMASA-N 311.426 -0.044 30 20 DBED C[C@@H]1CN(C(=O)CCCN2C(=O)CCC2=O)C[C@H]1NCC#N 1214777750 HXWUJDWLCUMWCN-VXGBXAGGSA-N 306.366 -0.124 30 20 DBED C#CCC1(C(=O)N[C@@H]2CN([C@@H](C)C(=O)N(C)C)C[C@@H]2O)CCC1 1219785398 NBOVQVFVQJCFCG-MJBXVCDLSA-N 321.421 -0.182 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)COc2cnn(C)c2)C1 1220226921 DQPGKZAXFLHTMV-KGLIPLIRSA-N 324.381 -0.837 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C2CC3(CC3)C2)C1 1220334460 WIPKVCAQODLQNT-OLZOCXBDSA-N 307.394 -0.360 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)c2cn(C)cn2)CC1 1226851615 PXKXYODCXGGPIT-UHFFFAOYSA-N 303.366 -0.636 30 20 DBED C#CCCN[C@@H]1CCCC[C@H]1NC(=O)Cn1ccc(O)nc1=O 1227328425 DGYYPAUIXUPYSH-CHWSQXEVSA-N 318.377 -0.011 30 20 DBED C#CCOCCC(=O)NC1CCN(Cc2nnnn2C)CC1 1227332399 PXXYMCYFXFGALH-UHFFFAOYSA-N 306.370 -0.669 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)[C@@H]2CCN(C)C2=O)CC1 1228717335 FNKJDXHLYZCOFS-ZDUSSCGKSA-N 322.409 -0.653 30 20 DBED CS[C@H](C)C(=O)NCC[C@H]1CN(CC#N)CCS1(=O)=O 1230421999 DKNKWTVIZGVHOP-MNOVXSKESA-N 319.452 -0.133 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)c1coc(C)n1 1233857652 TVNKHDGYFBYFMM-GFCCVEGCSA-N 304.350 -0.121 30 20 DBED C#CCCCNC(=O)C(=O)N1CCC(NC(=O)COC)CC1 1259925494 JVCYPVLRYOHOSA-UHFFFAOYSA-N 309.366 -0.730 30 20 DBED C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOCC1 1262992016 DMEROCQJWJJGBE-JTQLQIEISA-N 315.399 -0.089 30 20 DBED N#CCn1cc(NC(=O)C(=O)N2CC[C@@H](N3CC=CC3)C2)cn1 1319556480 ACKGUUIJFZLSBT-CYBMUJFWSA-N 314.349 -0.182 30 20 DBED C=C[C@@H](COC)NC(=O)CSCC(=O)N1CCOCC1 1320441802 JOOCQVQHLVVAKD-NSHDSACASA-N 302.396 -0.104 30 20 DBED CNC(=O)Cn1nc(NC(=O)C(=O)N(C)C[C@@H](C)C#N)cc1C 1320573837 FPPAULYJKDBTDB-VIFPVBQESA-N 320.353 -0.506 30 20 DBED C[C@H](OC(=O)CN1CCC(=O)NC1=O)C(=O)NC1(C#N)CCC1 1320761627 QQQQEISCVZAOEH-VIFPVBQESA-N 322.321 -0.578 30 20 DBED C#C[C@@H](NC(=O)N1CCC(OCC(N)=O)CC1)[C@@H]1CCCO1 1321361187 VCDOWDYSWJFJLP-OLZOCXBDSA-N 309.366 -0.157 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN(C)C(=O)[C@@H]1C 1324401829 AQMMHAXNNBPHFB-XQQFMLRXSA-N 323.393 -0.227 30 20 DBED CNCCCc1[nH]nc(NC(=O)[C@@H]2CN(C)CCO2)c1C#N 1324502161 MMKCONXUCDLUHD-LBPRGKRZSA-N 306.370 -0.298 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@H]1CCO[C@@H](C)C1 1329082995 TUOBUWWWKWQVAO-QWRGUYRKSA-N 318.395 -0.613 30 20 DBED CNCCCN(C)C(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1329945555 GQWXIKJNUXKBJU-ZDUSSCGKSA-N 307.398 -0.747 30 20 DBED COCCN1CCN(C(=O)C(=O)N2CCC[C@@H](C#N)C2)CC1=O 1334983801 OMBZBPNTYJHZOB-LBPRGKRZSA-N 322.365 -0.934 30 20 DBED CN(C)S(=O)(=O)N(CC#N)Cc1noc2c1COCC2 1352760917 MRIAEYMDUWPUTC-UHFFFAOYSA-N 300.340 -0.121 30 20 DBED COC(=O)C1(C#N)CCN(C(=O)[C@H](C)N2CCN(C)CC2)CC1 1362442671 INHGFBKXVIASQA-ZDUSSCGKSA-N 322.409 -0.072 30 20 DBED CCN(CCC#N)C(=O)CNC[C@@H]1CCN(C(=O)COC)C1 1366393887 JWMMOFXZKKFQJE-ZDUSSCGKSA-N 310.398 -0.167 30 20 DBED C[C@@H](CNC(=O)Cn1ncnn1)NCc1cc(C#N)ccc1F 1376720460 DAACLZLGYACHCF-JTQLQIEISA-N 317.328 -0.022 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1C[C@@H](NC(=O)c2cnnc(O)c2)C1 1406610467 QCVMAMVJNPQENT-KKZNHRDASA-N 303.322 -0.034 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CCN(C(=O)CCc2cnn[nH]2)C1 1408414024 PTTWMIJLTQFVSH-GHMZBOCLSA-N 304.354 -0.138 30 20 DBED CSC[C@@H](CCO)NC(=O)Cn1cc(C#N)c(O)nc1=O 1411914689 YQXJTZLKNRFQHL-SECBINFHSA-N 312.351 -0.949 30 20 DBED CC(C)NC(=O)CN(C)C(=O)CCn1cc(C#N)c(O)nc1=O 1412377091 VRKAERWZOZBAKE-UHFFFAOYSA-N 321.337 -0.806 30 20 DBED CC(C)COC1CN(C(=O)Cn2cc(C#N)c(O)nc2=O)C1 1412624800 XMFMITDHNMYYTC-UHFFFAOYSA-N 306.322 -0.296 30 20 DBED C[C@H](C(=O)N[C@H](CO)CN1CCCCC1)n1cnc(C#N)n1 1412933275 SHWGPFMFZDRWDH-NEPJUHHUSA-N 306.370 -0.326 30 20 DBED CN(CC(C)(C)CO)C(=O)CCn1cc(C#N)c(O)nc1=O 1413027527 VAHUIKACURHCTM-UHFFFAOYSA-N 308.338 -0.312 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)C2CCN(C(N)=O)CC2)CC1 1417196226 HIHFIYCUZWPDES-JTQLQIEISA-N 321.381 -0.298 30 20 DBED CNC(=O)NC(=O)[C@@H](C)N(C)CCCN(C)C(=O)[C@@H](C)C#N 1421836128 CPQNAVHRPUSYFX-WDEREUQCSA-N 311.386 -0.230 30 20 DBED C=C(Cl)CN[C@@H](CNC(=O)CN1CCNC(=O)C1)C(C)C 1438806746 ATPUUMPPYXZILR-LBPRGKRZSA-N 316.833 -0.099 30 20 DBED CNC(=O)NC(=O)[C@H](C)NC[C@@H](C)NC(=O)c1cc(C#N)c[nH]1 1445375260 SFRJFXKYWNHKPR-BDAKNGLRSA-N 320.353 -0.562 30 20 DBED Cc1cnccc1CC(=O)NCCn1cc(C#N)c(O)nc1=O 1470360128 DJYUYIKKOHVSAB-UHFFFAOYSA-N 313.317 -0.117 30 20 DBED CC(C)(CC#N)CS(=O)(=O)N1CCN2C(=O)NC[C@@H]2C1 1475046122 WWGVAGZAWQGQNK-SNVBAGLBSA-N 300.384 -0.035 30 20 DBED Cc1ccnc2nc(C(=O)NC[C@H](C)NC(=O)[C@H](C)C#N)nn12 1495089297 CZCXNNFMQUSTQA-BDAKNGLRSA-N 315.337 -0.173 30 20 DBED C=C(Cl)C[C@@H](NC(=O)CS(=O)(=O)CCOC)C(=O)O 1573307586 LWZWOPRHXRXFBU-MRVPVSSYSA-N 313.759 -0.240 30 20 DBED C[C@H](O)C(=O)N1CCN(C(=O)C2CC3(CNC[C@H]3C#N)C2)CC1 1576267646 YJIFBYJPXCDLDY-OPXGVBIBSA-N 320.393 -0.823 30 20 DBED C[C@@H]1CS(=O)(=O)CCCN1C(=O)N[C@@H]1CNC[C@H]1C#N 1576860402 ITIMEPHHFHVZDS-GMTAPVOTSA-N 300.384 -0.683 30 20 DBED N#C[C@H]1CN(C(=O)C2=NO[C@@]3(CCNC3)C2)CCN1C1CC1 1580041751 GHRVVHJWCMSREO-WFASDCNBSA-N 303.366 -0.306 30 20 DBED C#CCOCCNC(=O)C(=O)Nc1sccc1-c1nn[nH]n1 1588363672 UBOSWJMHMGPIMY-UHFFFAOYSA-N 320.334 -0.367 30 20 DBED C#CCN(CC(=O)O)C(=O)CNC(=O)c1cccc(OC)c1 1588401702 AVFQLEZOJVHQRS-UHFFFAOYSA-N 304.302 -0.029 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](N=c2cc[nH]cc2-c2nn[nH]n2)C1 1588928500 BEIVDYLCOAZYSI-VHSXEESVSA-N 312.337 -0.144 30 20 DBED CC(C)(C)CNC(=O)Cn1c(N)nc(-c2nn[nH]n2)c1C#N 1589128485 CLFKXQDBNYYTRV-UHFFFAOYSA-N 303.330 -0.321 30 20 DBED Cc1cc(NC(=O)C(=O)NCCOCC(=O)O)ncc1C#N 1600263815 OXCGZGCROHQXKJ-UHFFFAOYSA-N 306.278 -0.582 30 20 DBED Cc1onc(CC(=O)N[C@H](Cc2cnc[nH]2)C(=O)O)c1C#N 1600864172 KAXZBYFHELPSSJ-LLVKDONJSA-N 303.278 -0.068 30 20 DBED N#Cc1cccc([C@@H](OC(=O)C[C@@H]2NC(=O)NC2=O)C(=O)O)c1 1601117038 ASWCYBOCRJGEIW-GXSJLCMTSA-N 317.257 -0.175 30 20 DBED C#CCN(CC(=O)O)C(=O)N[C@H]1CCN(c2cc(O)ncn2)C1 1602684300 UZJFVULKNLBYMI-JTQLQIEISA-N 319.321 -0.510 30 20 DBED C#CCNC(=O)[C@@H](C)OC(=O)c1cnccc1-c1nn[nH]n1 1602722232 HPOMRWGZSROWIK-MRVPVSSYSA-N 300.278 -0.444 30 20 DBED C[C@@H]1CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)C[C@@H]1C(=O)O 1603416826 BTLGGWIZYREASV-SCZZXKLOSA-N 320.305 -0.610 30 20 DBED CCC[C@@H](O)[C@H](CO)Nc1cnc(-c2nn[nH]n2)c(C#N)n1 1604143910 DVVZHDCKMZJREN-DTWKUNHWSA-N 304.314 -0.538 30 20 DBED COCC#CC(=O)N1C[C@H](C(=O)O)C2(CC(C(=O)OC)C2)C1 1604505022 MVJYCCJZSKQOLL-LOIXOFCESA-N 309.318 -0.251 30 20 DBED N#Cc1cc(C(=O)NC2(CNC(=O)[C@@H]3C[C@@H]3C(=O)O)CC2)c[nH]1 1608193870 MLDXKEOQWCQQFC-MNOVXSKESA-N 316.317 -0.014 30 20 DBED N#Cc1ccc(S(=O)(=O)N2CCN(CC(=O)O)CC2)nc1 1608210536 LVJVVPJKAHXOHU-UHFFFAOYSA-N 310.335 -0.656 30 20 DBED N#Cc1cccc([C@@H](C(=O)O)N2C[C@@H](C(N)=O)[C@@H](C(N)=O)C2)c1 1608215879 SLLWOEQWKXKVJP-TUAOUCFPSA-N 316.317 -0.797 30 20 DBED Cc1cc(C(=O)O)ccc1NC(=O)C(=O)NCC(=O)NCC#N 1610441183 UXOFQYFPEPRLGT-UHFFFAOYSA-N 318.289 -0.612 30 20 DBED CN1CCCC[C@H]1C(=O)NC[C@H]1CCCN1CC(=O)NCC#N 1663507816 DHKDYRKFZZICRZ-KGLIPLIRSA-N 321.425 -0.309 30 20 DBED CCNC(=O)CCC(=O)N1CCC[C@@H]1CNCC(=O)NCC#N 1698727637 GDVAPLMZHWQPIT-GFCCVEGCSA-N 323.397 -0.877 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC[C@H](NC(=O)c2ncc[nH]2)C1 1713788915 UZTXZOTZIVFNNU-NEPJUHHUSA-N 303.366 -0.258 30 20 DBED CCN(CCCNC(=O)[C@H](C)C#N)CC(=O)NC(=O)NC1CC1 1752170642 MPVJGMDADPBKHU-LLVKDONJSA-N 323.397 -0.038 30 20 DBED Cc1c(C(=O)N[C@H]2C[C@H](NCC(=O)NCC#N)C2)cnn1C 1752612138 GTGMBULULHJVQI-XYPYZODXSA-N 304.354 -0.781 30 20 DBED C=C[C@H](CC)CC(=O)NC1CN(CC(=O)N2CCNC(=O)C2)C1 1753385636 ZYFAWGLUNBSQTK-GFCCVEGCSA-N 322.409 -0.653 30 20 DBED C#CCNC[C@@H](C)CNC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 1753624796 FWIMUZNTDNFEHB-OAGGEKHMSA-N 323.437 -0.159 30 20 DBED C=CCN1CC[C@@H](NC[C@@H](C)N(C)C(=O)c2ncn(C)n2)C1=O 1753689859 NMBLOVAQLQUSSP-VXGBXAGGSA-N 320.397 -0.348 30 20 DBED C#CCNC(=O)CNC[C@@H](C)NC(=O)c1cn(C)nc1COC 1754232494 XBJCMBBFZUUNJH-LLVKDONJSA-N 321.381 -0.976 30 20 DBED C=CCNC(=O)NC(=O)CN(C)C[C@@H](C)NC(=O)[C@H](C)C#N 1754306604 QILAHCGEXYCZKA-GHMZBOCLSA-N 309.370 -0.406 30 20 DBED COCC#CCN1CC[C@@H]1CNC(=O)[C@H](C)N1C(=O)CCC1=O 1754484771 HQTXRAIPSOLSPY-QWHCGFSZSA-N 321.377 -0.636 30 20 DBED C#CCNC(=O)CNC1(CNC(=O)C[C@H]2CCCC(=O)N2)CC1 1754520117 FKSXHPHXSIDKOV-GFCCVEGCSA-N 320.393 -0.967 30 20 DBED C=C(Cl)CNC1(CNC(=O)CC[C@@H]2NC(=O)NC2=O)CC1 1754533669 XJQMELAPZFNYPW-VIFPVBQESA-N 314.773 -0.035 30 20 DBED C#CCNC(=O)CN1CCC[C@@H](NC(=O)Cc2ccon2)CC1 1755022746 VACIXEFMMNVEMM-CYBMUJFWSA-N 318.377 -0.063 30 20 DBED C=CCn1cc(C(=O)N2CCC[C@@](CO)(NC[C@H](C)O)C2)nn1 1755089425 OTVATXPFNJRMQC-SWLSCSKDSA-N 323.397 -0.598 30 20 DBED Cn1nncc1C(=O)N1CCC(C)(NCC(=O)NCC#N)CC1 1755127199 FVDBISALHUORQW-UHFFFAOYSA-N 319.369 -0.961 30 20 DBED C#CCNC(=O)CN1CC([C@H](C)NC(=O)[C@@H](C)OCC2CC2)C1 1755374148 JMSOYADKTWAAKK-QWHCGFSZSA-N 321.421 -0.013 30 20 DBED C=C(C)CCNC[C@H]1C[C@H](NC(=O)CN2C(=O)CNC2=O)C1 1755483238 VPOZWVMCMBWWKY-HAQNSBGRSA-N 308.382 -0.011 30 20 DBED C#CCCN[C@@H](CO)CNC(=O)Cn1ncc2cc(C)cnc21 1755633244 QFUUYEMECHJBIE-CQSZACIVSA-N 315.377 -0.170 30 20 DBED COCC#CCNC[C@@H](O)CN(C)C(=O)CCc1nccn1C 1755783844 AVMNXDIIBGEWRF-CQSZACIVSA-N 322.409 -0.589 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H](C)CN(C)C(=O)c1cnn(C)n1 1756471703 BDYMQKNRVAASAP-MNOVXSKESA-N 307.354 -0.570 30 20 DBED C=CCOCC(=O)N[C@@H](CO)CNC(=O)c1cnc(C)nc1C 1756541862 FCSLZMSQEVCGSW-GFCCVEGCSA-N 322.365 -0.497 30 20 DBED C#CCCCC(=O)NC[C@@H](O)CN(C)C(=O)Cn1cccn1 1756649469 MWVVPJAKLFHHNM-CYBMUJFWSA-N 306.366 -0.378 30 20 DBED CN(C[C@@H](O)CNC(=O)CCc1cn[nH]c1)C(=O)C#CC1CC1 1756661756 DYSWAGCNYKEVTM-AWEZNQCLSA-N 318.377 -0.309 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H](NC(=O)COC)CC[C@@H]1C 1756786290 DRXNIKQVLYCSGB-NWDGAFQWSA-N 309.366 -0.732 30 20 DBED N#CCC(=O)N1CCO[C@]2(CCN(C(=O)c3cccnn3)C2)C1 1779460367 WXGHSXNJVILOHJ-OAHLLOKOSA-N 315.333 -0.166 30 20 DBED CC[C@H](NC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC#N)[C@H]2C1 1786365705 UPRARDMJFAFVFQ-XUXIUFHCSA-N 322.409 -0.122 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)[C@H]1C[C@@H](O)C1)C2 1841600897 YLMXHVLUXOINJO-MELADBBJSA-N 320.389 -0.001 30 20 DBED C[C@@H](S)C(=O)N1CCCC12CN(C(=O)CS(C)(=O)=O)C2 1846367609 DVWNTHRYEZOXLB-SECBINFHSA-N 320.436 -0.447 30 20 DBED C#CCN1CCN(C(=O)CN2CCOC[C@@H]2C[C@@H](C)O)CC1 157153807 ZYBKPMKMMGLIJS-CABCVRRESA-N 309.410 -0.765 30 20 DBED COC(=O)c1cn(CC(=O)N(CCC#N)CCCN(C)C)nn1 267065036 XZMYEPAZWMPRDH-UHFFFAOYSA-N 322.369 -0.241 30 20 DBED N#Cc1ccc(NC(=O)C(=O)NCCN2CCNC(=O)C2)cc1 272890709 ISAOQUANTXPNOG-UHFFFAOYSA-N 315.333 -0.955 30 20 DBED C=CCSCCNC(=O)C(=O)N[C@H](C)CN1CCOCC1 284063121 QNPCHMDQLRPDSV-GFCCVEGCSA-N 315.439 -0.141 30 20 DBED N#Cc1ccc(CS(=O)(=O)NCC(=O)N2CCOCC2)cc1 289241647 STCYPKCYSNEUMB-UHFFFAOYSA-N 323.374 -0.164 30 20 DBED COC(=O)[C@@H]1CN(S(=O)(=O)c2cncc(C#N)c2)CCO1 314919504 KKAVQBLYJVUZNW-NSHDSACASA-N 311.319 -0.484 30 20 DBED CCN1CCN(/C(O)=N/C[C@@H]2CCCS2(=O)=O)CC1=O 329611988 RLDSXOGIRSLTBA-JTQLQIEISA-N 303.384 -0.358 30 20 DBED CN1CCO[C@H]2CN(C(=O)C(=O)Nc3ccc(C#N)cn3)C[C@@H]21 332264430 FCLXUUYECBOEGO-RYUDHWBXSA-N 315.333 -0.567 30 20 DBED CC[C@@H]1CO[C@@H](C)CN1S(=O)(=O)N1CCO[C@@H](C#N)C1 336917300 NKWKATSBHBFNPT-TUAOUCFPSA-N 303.384 -0.045 30 20 DBED CC(C)(C)[C@@H](CCO)NS(=O)(=O)N1CCO[C@@H](C#N)C1 337101225 VYMXMJMOCKQJDS-WDEREUQCSA-N 305.400 -0.158 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)NCC1CCN(CCO)CC1 337997985 QLYBURIFMNBJNA-GFCCVEGCSA-N 318.443 -0.241 30 20 DBED N#Cc1nc(NC(=O)CNC(=O)c2ncccc2O)[nH]c1C#N 343170707 NLKVEWPGHXGUCU-UHFFFAOYSA-N 311.261 -0.378 30 20 DBED C=CC[C@@H](C)NC(=O)CCS(=O)(=O)NCC(=O)NC(C)C 346201990 XNSLULFMXHNSPT-LLVKDONJSA-N 319.427 -0.099 30 20 DBED CC[C@@H](C)[C@@H](O)CNC(=O)C(=O)Nc1cc(C)n(CCC#N)n1 348810392 LXMBFRGQRGTHGP-PWSUYJOCSA-N 321.381 0.567 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)c2coc(C(N)=O)c2)CC1 352831377 GPESXQPFBRCXKQ-UHFFFAOYSA-N 320.349 -0.562 30 20 DBED C=C[C@@H](CO)NC(=O)NC[C@@H]1CCCCN1S(C)(=O)=O 359573630 WEWRAIILTIDWFB-QWRGUYRKSA-N 305.400 -0.353 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@H](C)[C@@H](CO)C2)C1=O 360817756 DRAHHEZUXFQFTE-VHSXEESVSA-N 309.322 -0.950 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 361799154 MDYKLNDOZNSFMK-OAHLLOKOSA-N 309.410 -0.451 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@@H](n2cc(C(=O)OC)nn2)C1 375212725 XRJSGLNTXCAUCP-GHMZBOCLSA-N 305.338 -0.551 30 20 DBED CCS(=O)(=O)N1CCN(S(=O)(=O)CCCC#N)CC1 408129044 XFTKPRUSPYVWSB-UHFFFAOYSA-N 309.413 -0.413 30 20 DBED Cn1c(NC(C)(C)CN2CCOCC2)c(C#N)c(=O)n(C)c1=O 413542120 LKLCQRWCOVQQMO-UHFFFAOYSA-N 321.381 -0.522 30 20 DBED C=CCCn1cc(C(=O)NCCCN2CCC[C@H]2C(N)=O)nn1 424665505 QSGXCGLUTHRQHK-ZDUSSCGKSA-N 320.397 -0.076 30 20 DBED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCN(C)C[C@H]2C)n1 440284507 NLMKVTSRHMCIPV-LLVKDONJSA-N 318.381 0.437 30 20 DBED N#CCCn1ccc(NC(=O)C(=O)NCCN2CCCCC2)n1 444592095 OVZXQLSWDNMAKD-UHFFFAOYSA-N 318.381 0.337 30 20 DBED CCOC(=O)N1CCC(NC(=O)CN2CCO[C@@H](C#N)C2)CC1 491245572 UQUBHVVSSYQKEJ-ZDUSSCGKSA-N 324.381 -0.052 30 20 DBED C#CCN1CCN(C(=O)CN(C)[C@@H]2CC(C)(C)OC2=O)CC1 491314050 CKPYMWYVTQRGFY-CYBMUJFWSA-N 307.394 -0.210 30 20 DBED C#C[C@@H](C)N(C)C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C 491453435 RFMRCOZZIADHOW-SECBINFHSA-N 300.318 -0.274 30 20 DBED C#C[C@H](CCC)NC(=O)c1nc(N)nc(N2CCOCC2)n1 491779162 GZKQRGSKJINYHC-SNVBAGLBSA-N 304.354 -0.178 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N1C[C@@H]2COC[C@]2(C(=O)O)C1 594690268 JXLWQPVNMJHYLM-HOSYDEDBSA-N 317.367 -0.644 30 20 DBED CO[C@@H]1CS(=O)(=O)C[C@H]1NS(=O)(=O)CC1(C#N)CC1 594823061 QPYXFAMNBDZLFI-RKDXNWHRSA-N 308.381 -0.978 30 20 DBED COCc1cc(C#N)ccc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 603306304 BWZQMMHISFLRQV-CYBMUJFWSA-N 314.345 -0.148 30 20 DBED CN1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)CC1(C)C 603374719 NFPLPYSIIQLEAT-LLVKDONJSA-N 302.400 -0.518 30 20 DBED CN(CCC#N)S(=O)(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 604032425 LMWCUMNNNTZLSL-SNVBAGLBSA-N 324.428 -0.910 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)c2nc(C)no2)C1=O 726043911 VSJKKOVDJFJDBR-SSDOTTSWSA-N 322.277 -0.041 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2ccc(C#C)nc2)CC1 728866828 STEMPFZZKFZSFL-UHFFFAOYSA-N 310.357 -0.430 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 730098086 UXMBGUFDDIXSCL-OLZOCXBDSA-N 313.423 -0.376 30 20 DBED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)Cn2cnnn2)C1 756921891 YHJRALSRLOVRDZ-UWVGGRQHSA-N 321.341 -0.452 30 20 DBED C#C[C@@H](NC(=O)CN1C(=O)C(=O)N(CC=C)C1=O)[C@@H]1CCCO1 772886010 OKDWJOZARLGQKD-MNOVXSKESA-N 319.317 -0.740 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@H]1COCCN1CC 775010757 BYYFBBBMMFHOMX-GHMZBOCLSA-N 313.354 -0.349 30 20 DBED C#C[C@@H](NC(=O)C(=O)NC1CCN(CC)CC1)[C@H]1CCCO1 775035854 RXPHBRRHSQKRBN-ZIAGYGMSSA-N 307.394 -0.116 30 20 DBED C#CCOCCNC(=O)N1CCN(CCC(=O)OC)C[C@@H]1C 784553825 MQZPMKSNOLRZDB-ZDUSSCGKSA-N 311.382 -0.085 30 20 DBED COC(=O)[C@@H]1[C@H]2CN(S(=O)(=O)N(C)C[C@H](C)C#N)C[C@H]21 813742515 WXDIBACTJHOXRA-ZNSHCXBVSA-N 301.368 -0.327 30 20 DBED C=CCOCCOC(=O)C1CCN(S(=O)(=O)NC)CC1 813894182 FUSSZEGCBBYIJU-UHFFFAOYSA-N 306.384 -0.092 30 20 DBED C=C[C@@H](O)C(=O)OCC(=O)CN1C(=O)c2ccccc2C1=O 814544434 HKOZUSXGKXTMRJ-GFCCVEGCSA-N 303.270 -0.058 30 20 DBED C[C@](C#N)(CC(=O)O)C(=O)N1CCC(CS(N)(=O)=O)CC1 819811464 PCJVZBBJLIDMOU-GFCCVEGCSA-N 317.367 -0.482 30 20 DBED C[C@H](C(=O)N[C@@H]1CNC[C@H]1C#N)N1C(=O)NC2(CCCC2)C1=O 834493083 AGGGAQPQHFYFPN-GMTAPVOTSA-N 319.365 -0.533 30 20 DBED N#C[C@H]1CNC[C@H]1NC(=O)CN1C(=O)COc2ccccc21 834504831 FPLPQFXWFMBBLN-WDEREUQCSA-N 300.318 -0.360 30 20 DBED Cc1cc(NC(=O)CSCC(=O)N[C@@H]2CNC[C@@H]2C#N)no1 834506838 WKSXQPRIGRJVJY-VHSXEESVSA-N 323.378 -0.118 30 20 DBED Cc1ccc2c(c1)C(=O)N(CC(=O)N[C@H]1CNC[C@H]1C#N)C2=O 834511761 NUBXNUQMHCVOJX-MFKMUULPSA-N 312.329 -0.181 30 20 DBED C#CCN(CC(=O)O)S(=O)(=O)c1cc(C(=O)OC)n(C)c1 849218961 CSKWCFQTJHDLJG-UHFFFAOYSA-N 314.319 -0.480 30 20 DBED C#C[C@@](C)(CC)NCC(=O)c1c(O)nc(=O)n(CCOC)c1N 852100016 FLKHUEFHDOHTMS-HNNXBMFYSA-N 322.365 -0.248 30 20 DBED C#CCN(C)CCCNC(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1 861837830 KAVZGFZTZXCREE-ZDUSSCGKSA-N 317.393 -0.156 30 20 DBED C=C[C@H](O)C(=O)N1[C@@H](C(=O)NCCC(=O)OC)CS[C@@H]1C 861984510 RTKFPRCJRZBGNH-BBBLOLIVSA-N 316.379 -0.497 30 20 DBED C#CC[C@H](CCOC)NC(=O)CN1CCN(CC)C(=O)C1=O 863788542 AXSMDNYLVAUHDU-GFCCVEGCSA-N 309.366 -0.778 30 20 DBED C#CCOCCNC(=O)[C@@H]1CC[C@H]1C(=O)NCCOCC#C 867369969 LDRBITXDZDCIKE-ZIAGYGMSSA-N 306.362 -0.455 30 20 DBED C#CCn1ccc(CN(CC)C(=O)CCCS(N)(=O)=O)n1 907838641 SGDRQMPOCUQJMF-UHFFFAOYSA-N 312.395 -0.067 30 20 DBED CCS(=O)(=O)CC(=O)OCC(=O)N(CCC#N)CCC#N 920596835 LYIFMCJVOOYJIG-UHFFFAOYSA-N 315.351 -0.380 30 20 DBED C#CCN1CCC(NC(=O)Cn2nc3n(c2=O)CCCC3)CC1 928650118 YUDVBJQATNJVOB-UHFFFAOYSA-N 317.393 -0.405 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCc2cn(C)cn2)C1=O 933872196 LWUFJQAVDYBLTN-LBPRGKRZSA-N 319.365 -0.718 30 20 DBED CN(C(=O)Cn1ncnn1)[C@H]1CCN(C(=O)C#CC2CC2)C1 937354966 XVMQNYYBSKRMNC-LBPRGKRZSA-N 302.338 -0.854 30 20 DBED O=C(N[C@H]1CCN(C(=O)C#CC2CC2)C1)c1ccc2nnnn2c1 938265209 KPOYYSQQGZZRMJ-ZDUSSCGKSA-N 324.344 -0.132 30 20 DBED O=C1C[C@@H](C(=O)N[C@@H]2CCN(C(=O)C#CC3CC3)C2)CCN1 939994620 NIYPVAUVAZKCCE-QWHCGFSZSA-N 303.362 -0.357 30 20 DBED Cn1nccc1C(=O)NC[C@H]1CN(C(=O)C#CC2CC2)CCO1 944513400 NLCSYWOTUXJRFH-ZDUSSCGKSA-N 316.361 -0.209 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2CN(C(=O)C3CC3)CCO2)nn1 944599218 KYTASRPMYMDJGE-LBPRGKRZSA-N 319.365 -0.169 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)C(N)=O)[C@@H](C)C2)cn1 945428953 LQXKWCXXZHFJBW-GXFFZTMASA-N 314.345 -0.485 30 20 DBED C[C@H](C#N)C(=O)N1CCC(NC(=O)[C@H]2CCCNC2=O)CC1 948099533 VCRPKXBYSNEILW-PWSUYJOCSA-N 306.366 -0.221 30 20 DBED CCN1CCOC[C@H]1C(=O)NC1CCN(C(=O)[C@@H](C)C#N)CC1 948102579 PDAOLQJVKORONR-JSGCOSHPSA-N 322.409 -0.026 30 20 DBED Cc1c(C(=O)NC[C@H]2CCN2C(=O)C#CC2CC2)nnn1C 949213728 CHMVQAHETBPUKW-GFCCVEGCSA-N 301.350 -0.132 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1ncn(C)n1 952172977 KFVVUAYIAPPFTO-UTUOFQBUSA-N 319.365 -0.263 30 20 DBED C=C(Cl)CN1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)CC1 957314420 HDIINBDMDQUFFH-UHFFFAOYSA-N 322.756 -0.072 30 20 DBED C=CCN1CC[C@@H](N2CCN(C(=O)Cn3ccnc3)CC2)C1=O 957900589 WRALPTVKHMCDDS-CQSZACIVSA-N 317.393 -0.186 30 20 DBED N#Cc1ccc(C(=O)NC[C@@H]2CN(Cc3cnon3)C[C@H]2O)[nH]1 957984934 AVUNZGMZTHKEHU-NOZJJQNGSA-N 316.321 -0.508 30 20 DBED N#Cc1c[nH]c(C(=O)NC2[C@H]3CN(Cc4nc(O)n[nH]4)C[C@H]23)c1 958501336 ZPMKOLYANICRPL-IUCAKERBSA-N 313.321 -0.430 30 20 DBED N#CCN1C[C@H](O)[C@H](CNC(=O)c2ncc3n2CCCC3)C1 958712901 CILZFPMQNVZAMI-YPMHNXCESA-N 303.366 -0.235 30 20 DBED C=C(C)CN1C[C@@H]2C(NC(=O)Cn3ccc(O)nc3=O)[C@H]2C1 960862287 GZEJJODKFNGHBN-QWRGUYRKSA-N 304.350 -0.429 30 20 DBED Cc1cc(C(=O)N2C[C@H]3[C@@H](C2)OCCN3C(=O)[C@@H](C)C#N)n[nH]1 960884967 VMAFXVCVOVBMDV-TVYUQYBPSA-N 317.349 -0.070 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)c1cnn(C)c1N 964154840 GNRNTRLZSFGTIX-UWVGGRQHSA-N 320.353 -0.881 30 20 DBED C[C@H](C#N)C(=O)N1CCOC2(CN(C(=O)CC3(O)CCC3)C2)C1 965475384 WKDOZUPPTHIKCL-GFCCVEGCSA-N 321.377 -0.109 30 20 DBED O=C(N[C@@H]1COC2(C1)CN(C(=O)C#CC1CC1)C2)[C@@H]1CCOC1 965648587 ZWDYCZRAHNEQIT-KGLIPLIRSA-N 318.373 -0.078 30 20 DBED C[C@@H](N[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1)c1nnnn1C 968344715 WTTQVTKLCWJRJY-MWLCHTKSSA-N 314.353 -0.025 30 20 DBED C#CCCN1CC[C@@H](C)[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1 968418975 PRJSBMARIBMAOW-DGCLKSJQSA-N 305.378 -0.111 30 20 DBED C[C@H](NC(=O)c1cc(C#N)c[nH]1)C1CN(Cc2nnn(C)n2)C1 969462364 FUJHBBUKQJDESI-VIFPVBQESA-N 314.353 -0.340 30 20 DBED C#CCCN1CC([C@@H](C)NC(=O)[C@H]2CCN(C)S2(=O)=O)C1 970570636 VTQFYKUZWXOLML-DGCLKSJQSA-N 313.423 -0.520 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)CCn3cnnn3)[C@@H]2C1 974901433 BBEKIJMFMYUAEE-IJLUTSLNSA-N 317.353 -0.718 30 20 DBED C=C(C)CN1C[C@H]2[C@H](CNC(=O)[C@@H]3CC(=O)NC(=O)N3)[C@H]2C1 978796878 PGMXODBZZHFEIQ-YFKTTZPYSA-N 306.366 -0.545 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H](N(C)C(=O)Cn2cncn2)C1 984595935 WYFCTEQXXMLMAX-VXGBXAGGSA-N 304.354 -0.113 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)C1CCN(C(=O)C(N)=O)CC1 986993293 UKPXLJPUGMCVMZ-RTXFEEFZSA-N 323.393 -0.194 30 20 DBED N#Cc1cc(C(=O)N2CC(NC(=O)c3cc[n+]([O-])cc3)C2)c[nH]1 990140273 JORKJALJLXGQMN-UHFFFAOYSA-N 311.301 -0.226 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CN(C(=O)c3cnnn3C)C[C@@]2(C)C1 993344570 NQPMXVGKUFECIN-ZIBATOQPSA-N 316.365 -0.105 30 20 DBED C[C@H]1C[C@H](C(=O)NC2CN(C(=O)C#CC3CC3)C2)CC(=O)N1 995010877 DTSRAOUTBACDCK-JQWIXIFHSA-N 303.362 -0.359 30 20 DBED C=CCOc1ccc(CC(=O)N2CC(NC(=O)C(N)=O)C2)cc1 998723898 YDIANONPEGUETH-UHFFFAOYSA-N 317.345 -0.394 30 20 DBED C=C(Cl)CN[C@@H]1CCCN(C(=O)Cn2ncn(C)c2=O)C1 999543044 SVKAHUDTRKKZMP-LLVKDONJSA-N 313.789 -0.085 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2COCCN2C)C1 1000005413 MEWZPPDZEISRPX-RDBSUJKOSA-N 323.393 -0.765 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(CNC(=O)c2cn(C)nn2)C1 1001721773 JXDSUXLRKXRONX-YPMHNXCESA-N 319.365 -0.406 30 20 DBED CCN1C[C@H](C(=O)N2CCN(C(=O)[C@H](C)C#N)CC2)CC1=O 1011247930 CIVHEKUERPBYLG-VXGBXAGGSA-N 306.366 -0.315 30 20 DBED C#CCCN1CC[C@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)C1 1015948002 RTFQSSCCQFRDKT-NSHDSACASA-N 306.366 -0.469 30 20 DBED C=CCN1CC[C@@H](N[C@H]2C[C@@H](NC(=O)c3nc[nH]n3)C2)C1=O 1022866863 MVFHGQXHFPNJFW-OUAUKWLOSA-N 304.354 -0.558 30 20 DBED CCn1nnc(C)c1C(=O)N[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1O 1024066453 SFWXBXXXYKQOAL-FBIMIBRVSA-N 320.353 -0.932 30 20 DBED COCc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2O)o1 1024616597 HMQMNFBXIBWXKZ-MVWJERBFSA-N 321.333 -0.113 30 20 DBED CC(=O)N1CCO[C@H](C(=O)NC2CCC(NCC#N)CC2)C1 1026600074 CAFGCCIJBFVDJD-RUXDESIVSA-N 308.382 -0.226 30 20 DBED CC(=O)N1CCOC[C@@H]1C(=O)NC1CCC(NCC#N)CC1 1026608143 KWJFWMBOYURING-JXQTWKCFSA-N 308.382 -0.226 30 20 DBED C#CCN(C)[C@H]1CCCN(C(=O)[C@H]2CCN(C)S2(=O)=O)C1 1027612149 BKWXHIRSUGRFHC-QWHCGFSZSA-N 313.423 -0.424 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CN(Cc2nnn(C)n2)C1 1031088073 JLKGJVXHFDXGHM-AAEUAGOBSA-N 306.370 -0.508 30 20 DBED N#Cc1ccc(F)c(CN2C[C@@H]3C[C@H]2CN3C(=O)C(N)=O)c1 1032596901 BPDMZMLHYNTGQW-RYUDHWBXSA-N 302.309 -0.032 30 20 DBED C#CCN[C@H]1CCN(C(=O)CN2CC(=O)N(C)C2=O)C[C@@H]1C 1036260400 MLGCBVAUZLHSKJ-RYUDHWBXSA-N 306.366 -0.660 30 20 DBED CC#CCN1CC[C@H]2CN(C(=O)CN3C(=O)CNC3=O)CC[C@@H]21 1036888010 BFPIUTBVKXBSNK-STQMWFEESA-N 318.377 -0.516 30 20 DBED C#CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)c1cnc2c(c1)NC(=O)CO2 1037485892 FRDQBNUKOQAABB-OSMZGAPFSA-N 312.329 -0.152 30 20 DBED CC[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)CC[C@H]1NCC#N 1037940628 MNAZJDWXQLYQBU-GHMZBOCLSA-N 307.354 -0.722 30 20 DBED CC#CCN1CC[C@H]1CNC(=O)[C@H]1CCc2nnnn2CC1 1038718785 FYGAHNCJAVAIGS-STQMWFEESA-N 302.382 -0.161 30 20 DBED C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCS(=O)(=O)N1 1039472678 FSKFPFZRAGUDBQ-FRRDWIJNSA-N 311.407 -0.623 30 20 DBED Cc1cnn(C)c1C(=O)NC[C@]1(O)CCN(C(=O)[C@@H](C)C#N)C1 1040597134 KRBZQTYFYYMIRS-ZUZCIYMTSA-N 319.365 -0.419 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)c2cccnc2)C1 1041199576 JUEBWUPHKKJPGS-UHFFFAOYSA-N 317.345 -0.575 30 20 DBED C=CCCCC(=O)N1CC(O)(CNC(=O)[C@@H](C)NC(C)=O)C1 1041337409 ADRABPNPDKPMIO-LLVKDONJSA-N 311.382 -0.443 30 20 DBED CC(C)(C)C#CC(=O)NCC1(O)CN(C(=O)Cc2ncc[nH]2)C1 1042966488 YYDAAWCXPJCTIN-UHFFFAOYSA-N 318.377 -0.309 30 20 DBED C=CCCOCC(=O)NCC1(O)CN(C(=O)c2cnc(C)[nH]2)C1 1043565719 PJTRUTRGMOBXHU-UHFFFAOYSA-N 322.365 -0.386 30 20 DBED C=CCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCNC(=O)C2)C1 1045450744 AVUNYZBXATVCSF-GFCCVEGCSA-N 323.393 -0.442 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)[C@@H]2CN3CCC2CC3)C1 1045551554 JMBWLJHWVMVYLV-WCQYABFASA-N 320.393 -0.823 30 20 DBED C=CCC1(C(=O)NCC2(O)CN(C(=O)CC(N)=O)C2)CCC1 1045794704 ROGLUCPROOSLIB-UHFFFAOYSA-N 309.366 -0.702 30 20 DBED C=CCN1CC[C@@H](N2CC[C@@](C)(NC(=O)c3nc[nH]n3)C2)C1=O 1046712432 WBSBUYCWZZYIMO-IAQYHMDHSA-N 318.381 -0.214 30 20 DBED C#CCCN1CC[C@@](C)(NC(=O)[C@@H]2CN(C(C)=O)CCO2)C1 1046815202 QAMFOZQUIGSHCZ-GOEBONIOSA-N 307.394 -0.162 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCn3cncc3C2)C1 1047432063 YMAPOUOEOXRVNZ-BPUTZDHNSA-N 316.405 -0.028 30 20 DBED CO[C@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CSCC#N)C1 1048302479 SPNXNHFSDPPHPA-VWYCJHECSA-N 315.395 -0.692 30 20 DBED CN(C(=O)CSCC#N)[C@H]1CN(C(=O)c2cn[nH]c2)C[C@@H]1O 1048302763 ZFIAXNMCGBKJBZ-QWRGUYRKSA-N 323.378 -0.690 30 20 DBED C=CCCC(=O)N(C)[C@H]1CN(C(=O)[C@H]2CCN(C)C2)C[C@@H]1O 1048531287 ZSLYYIIQVMKICR-IHRRRGAJSA-N 309.410 -0.066 30 20 DBED C#CCCN1C[C@H]2CN(C(=O)[C@H]3CCS(=O)(=O)C3)C[C@H]2C1 1048924072 OIMKCUKBQAQRHN-MELADBBJSA-N 310.419 -0.165 30 20 DBED C[C@@H]1C[C@H]1C(=O)N(C)[C@H]1CN(C(=O)CSCC#N)C[C@@H]1O 1049171771 IAILGPJDSRAIIP-WYUUTHIRSA-N 311.407 -0.071 30 20 DBED Cc1ncc(CC(=O)N2C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)C#N)C2)o1 1049401906 MGBHKIFHCNXDBO-XDTLVQLUSA-N 320.349 -0.285 30 20 DBED C#CCOCCC(=O)N[C@H](C)[C@@H]1CCN(C(=O)CNC(C)=O)C1 1049862604 LOLZHCYVACLPKS-TZMCWYRMSA-N 323.393 -0.484 30 20 DBED C=CCOCC(=O)N[C@@H](C)[C@@H]1CCN(C(=O)CNC(N)=O)C1 1049984072 QNELPBYVOCFDMZ-WDEREUQCSA-N 312.370 -0.790 30 20 DBED C=CCN1C[C@@H]2CCCN(C(=O)CN3C(=O)CNC3=O)[C@@H]2C1 1050197139 IFBPPOSCOMLDQK-NWDGAFQWSA-N 306.366 -0.353 30 20 DBED C=CCOCC(=O)N1CC[C@@H]([C@H](C)NC(=O)CNC(C)=O)C1 1050296712 HVPFICWWVICHSQ-WCQYABFASA-N 311.382 -0.322 30 20 DBED N#CCN1CCOC[C@@H]1CNC(=O)c1ccc2c(n1)OCCO2 1051002949 IQGBUQQQYAZYHC-NSHDSACASA-N 318.333 -0.193 30 20 DBED CC#CCN1CCOC[C@H]1CNC(=O)c1cncc(C(N)=O)c1 1051247172 CJKCLPWAXMFSBZ-CQSZACIVSA-N 316.361 -0.366 30 20 DBED O=C1CC[C@@H](NC[C@H]2CN(C(=O)C#CC3CC3)CCO2)C(=O)N1 1051609106 OBUKVUOUJBDEMW-QWHCGFSZSA-N 319.361 -0.978 30 20 DBED Cn1cnc(C(=O)N2CC[C@H](N3CCN(CC#N)CC3)C2)c1 1052012145 DNKUGEHIIRIRNW-ZDUSSCGKSA-N 302.382 -0.224 30 20 DBED C#CCN1CCN([C@H]2CCN(C(=O)c3cnn(CC)n3)C2)CC1 1052020768 JDZCOJSPNBERDF-AWEZNQCLSA-N 316.409 -0.237 30 20 DBED C=CCN1CCN([C@H]2CCN(C(=O)[C@H]3CCC(=O)NC3)C2)CC1 1052048243 OSMSRPRHSAYWRV-GJZGRUSLSA-N 320.437 -0.083 30 20 DBED C#CCN1CC2(C1)CN(C(=O)C(=O)N1CCC(C)CC1)CCO2 1053460092 PLQLXLWZPFALOE-UHFFFAOYSA-N 319.405 -0.209 30 20 DBED C=CCN1CC2(C1)CN(C(=O)[C@@H]1CCCN1C(N)=O)CCO2 1053550361 QRNAUKJIBQDYDA-LBPRGKRZSA-N 308.382 -0.371 30 20 DBED CC#CCN1CC2(CC[C@@H](CNC(=O)[C@@H]3COCCN3C)O2)C1 1053592602 OMSFQMDGYICQKZ-GJZGRUSLSA-N 321.421 -0.310 30 20 DBED C=CCn1cccc1C(=O)N[C@@H]1COC2(C1)CN(CC(N)=O)C2 1053829889 MISKGLOXYAIOLG-LBPRGKRZSA-N 318.377 -0.268 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)[C@@H]3CCCCC(=O)N3)CO2)C1 1053922014 TUGIMHDJECGZDM-STQMWFEESA-N 305.378 -0.362 30 20 DBED C=C(C)CN[C@@H]1CN(C(=O)CN2CCN(C)C(=O)C2)C[C@H]1C 1054814838 AGWSKEILMGVADG-ZIAGYGMSSA-N 308.426 -0.227 30 20 DBED N#Cc1nccnc1N1CCN(C(=O)C[C@H]2CCC(=O)N2)CC1 1055849031 KVKWJOXEGKOVMN-LLVKDONJSA-N 314.349 -0.334 30 20 DBED CN1CCOC[C@@H]1C(=O)N1CC[C@@H](N=c2cc[nH]c(C#N)n2)C1 1056609289 VCCCNEQQKBSAAX-VXGBXAGGSA-N 316.365 -0.886 30 20 DBED N#Cc1cncc(N[C@@H]2CCN(C(=O)[C@H]3COC(=O)N3)C2)n1 1056619110 WDAFGNKEGZABFI-PSASIEDQSA-N 302.294 -0.531 30 20 DBED CN(c1ccc(C#N)nn1)[C@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 1057032925 COEKMTUXRNDEBV-TUAOUCFPSA-N 314.349 -0.493 30 20 DBED C=CCO[C@H](C)C(=O)NCCN(CCO)C(=O)[C@@H](C)OC 1057114941 WJFUIAGPVAYJNC-VXGBXAGGSA-N 302.371 -0.451 30 20 DBED C#CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)[C@H](F)C(C)C 1057588061 RNCPKTKCEWMRHH-QWHCGFSZSA-N 316.373 -0.044 30 20 DBED C#CCC1(C(=O)N(CCO)CCNC(=O)c2cnn[nH]2)CCC1 1057823020 LTNBWQZHNUNXRS-UHFFFAOYSA-N 319.365 -0.451 30 20 DBED C=CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)c1ccnnc1 1057923443 UJINOVSTMYRCND-LBPRGKRZSA-N 322.365 -0.382 30 20 DBED N#Cc1cnc(N2CCC[C@H](NC(=O)Cn3cncn3)C2)cn1 1058160333 RIZLJZJMRZVTKN-NSHDSACASA-N 312.337 -0.275 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)c1cnn(C)c1OC 1058265129 ZNPCBGAFVHOEKU-UHFFFAOYSA-N 324.381 -0.054 30 20 DBED C#CCOCCC(=O)NCCN(CCO)C(=O)c1ncccn1 1058522215 FIHHTGJNBMKQGP-UHFFFAOYSA-N 320.349 -0.933 30 20 DBED C[C@@]1(C(=O)N[C@H]2CCN(c3nccnc3C#N)C2)CCNC1=O 1058541690 RAFPDTSRYVSLPJ-ZUZCIYMTSA-N 314.349 -0.431 30 20 DBED Cn1cnc(C(=O)N2[C@H]3CC[C@H]2CN(c2ccnc(C#N)n2)C3)n1 1058753123 CVRHVUJBIMCYQV-QWRGUYRKSA-N 324.348 -0.030 30 20 DBED C[C@H](C#N)C(=O)NCC[C@@H]1CCN(C(=O)C2(NC(N)=O)CC2)C1 1059498208 VZLRPQVXEKWFTQ-GHMZBOCLSA-N 321.381 -0.298 30 20 DBED COCC(=O)NC[C@@H]1COCCN1C(=O)CSCC#N 1061193533 TZVPVYOKLOQNJV-SNVBAGLBSA-N 301.368 -0.767 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1COCCN1C(=O)[C@@H]1COCCO1 1061569196 AAJGJPVVFJXCTG-KGLIPLIRSA-N 322.361 -0.841 30 20 DBED Cn1nnc(C(=O)NC[C@@H]2CCN(c3ccc(C#N)nn3)C2)n1 1061705577 GFSACTRIHVAMEY-VIFPVBQESA-N 313.325 -0.872 30 20 DBED C=CCCOCC(=O)NC1(CNC(=O)CNC(C)=O)CCC1 1062412822 DUPDVWGUQLDDST-UHFFFAOYSA-N 311.382 -0.130 30 20 DBED CC(C)C#CC(=O)NC1(CNC(=O)Cn2ncnn2)CCC1 1063147254 ZIHNIGXHNCTMRW-UHFFFAOYSA-N 304.354 -0.512 30 20 DBED N#Cc1nccnc1N1CC[C@@H]2CCN(C(=O)CC(N)=O)C[C@H]21 1064674345 FFCKNQPITLSTQS-CMPLNLGQSA-N 314.349 -0.349 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2cnc(C)[nH]2)CCO1 1064977131 BRGSRLBJPDFISA-LBPRGKRZSA-N 322.365 -0.122 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)C2(NC(N)=O)CC2)CCO1 1065060773 CMHKWOWXVYWLTJ-LLVKDONJSA-N 324.381 -0.503 30 20 DBED C#CCO[C@H](C)C(=O)N1CCO[C@H](CNC(=O)C(F)F)C1 1065155549 YHJNDUVEIYMJKC-NXEZZACHSA-N 304.293 -0.367 30 20 DBED C=CC(C)(C)CC(=O)N1CCO[C@H](CNC(=O)CC(N)=O)C1 1065194902 ICWGWXKSMAJKRN-LLVKDONJSA-N 311.382 -0.192 30 20 DBED C[C@@]1(NC(=O)[C@H]2COC(=O)N2)CCN(c2nccnc2C#N)C1 1065251101 PXFZWZPVQIRXOR-QMTHXVAHSA-N 316.321 -0.458 30 20 DBED C[C@@]1(CNc2cncc(C#N)n2)CCN(C(=O)CC(N)=O)C1 1065402529 DYHWTBKPJPNGMQ-AWEZNQCLSA-N 302.338 -0.126 30 20 DBED Cc1n[nH]cc1C(=O)N1CCO[C@@H](CNC(=O)[C@H](C)C#N)C1 1065414431 ZTTBQSXFQKOJSC-KOLCDFICSA-N 305.338 -0.165 30 20 DBED Cc1nc[nH]c1CC(=O)NC[C@@H]1CN(C(=O)[C@@H](C)C#N)CCO1 1065556393 HEUGJMXZZYOZMB-CMPLNLGQSA-N 319.365 -0.236 30 20 DBED Cc1cncn1CC(=O)NC[C@@H]1CN(C(=O)[C@@H](C)C#N)CCO1 1065560204 JDBYTYNCUDJCTL-WCQYABFASA-N 319.365 -0.305 30 20 DBED CN(C(=O)c1cn[nH]c1)[C@H]1CN(c2nccnc2C#N)C[C@@H]1O 1065567254 REYCEXYQPAEPJS-RYUDHWBXSA-N 313.321 -0.607 30 20 DBED C[C@H]1CN(C(=O)CC(N)=O)C[C@@H]1CN=c1cc[nH]cc1C#N 1065830293 ZSZGAFOUNQYPQO-JQWIXIFHSA-N 301.350 -0.243 30 20 DBED C#CCCCC(=O)N(C)CCCN(C)C(=O)Cn1cnnn1 1066782973 CHAXDEFPGNQACA-UHFFFAOYSA-N 306.370 -0.217 30 20 DBED C=CCCC(=O)N1CC2(CN(C(=O)Cn3cncn3)CCO2)C1 1068466442 OITIAALLRXIULL-UHFFFAOYSA-N 319.365 -0.316 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)Cn2nccn2)CCOCC1 1070232131 CMKYCXKYPZQSRA-LLVKDONJSA-N 320.353 -0.781 30 20 DBED C=C(C)CN[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@@H]1n1ccnn1 1070252978 IPJISAKFTABILD-MNOVXSKESA-N 317.357 -0.967 30 20 DBED C#CCCCC(=O)N[C@@H]1CCCN(C(=O)CCNC(N)=O)C1 1070714596 WAKNMWZGQJXATK-GFCCVEGCSA-N 308.382 -0.045 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)C4CN(C(C)=O)C4)C[C@@]3(C1)O2 1070792543 ZJIDZQSAUPZQNG-ZMSDIMECSA-N 317.389 -0.600 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)c2cncn2C)CC1 1070978929 JZUISDUPVBBOLH-UHFFFAOYSA-N 303.366 -0.683 30 20 DBED C[C@@H]1CN(C)C[C@@H]1C(=O)N1CCC(=O)NCCN(CC#N)CC1 1071000035 LBAMMHZFMQKOSQ-KGLIPLIRSA-N 321.425 -0.642 30 20 DBED C=CCOCC(=O)N1C[C@@H](C)[C@@H](NC(=O)CCn2cncn2)C1 1071807688 BAEYQYLQOKBWHL-OLZOCXBDSA-N 321.381 -0.166 30 20 DBED C=CCOCCCC(=O)N[C@@H]1CN(C(=O)CC(N)=O)C[C@@H]1C 1071839988 SFXYQLRNLOUMQX-NWDGAFQWSA-N 311.382 -0.192 30 20 DBED C=CCN1CCO[C@@H]2CCN(C(=O)CN3C(=O)CCC3=O)C[C@@H]21 1074403521 XLTQJRWAPZHPQQ-QWHCGFSZSA-N 321.377 -0.377 30 20 DBED C=CCCOCC(=O)N1CCC(O)(CNC(=O)COC)CC1 1074623377 IWFLEUPFMSYVBY-UHFFFAOYSA-N 314.382 -0.305 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)c2nnc3ccccc3n2)C1 1077397126 LYWXHDSNJYDPKN-ZIAGYGMSSA-N 311.345 -0.177 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCc3nn[nH]c32)C1 1077585292 YAIQRQVTQKNKRW-CYZMBNFOSA-N 305.382 -0.038 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC(=O)N(CCC)C2)C1 1077756579 DUBANWMRKLINDM-BFHYXJOUSA-N 307.394 -0.571 30 20 DBED C#CCN[C@H]1C[C@H](NC(=O)CN2CC(=O)N(C)C2=O)C12CCC2 1078782647 CYUBSGBLYINFSP-RYUDHWBXSA-N 318.377 -0.469 30 20 DBED CCN(C(=O)[C@H](C)N1CCOCC1)C1CN(C(=O)[C@H](C)C#N)C1 1080070870 VTCPGVZHQXGXOH-OLZOCXBDSA-N 322.409 -0.074 30 20 DBED C=CCn1cccc1C(=O)N1C[C@H](O)[C@H](CNC(=O)COC)C1 1081167551 WQDSAZRUHIKLLS-OCCSQVGLSA-N 321.377 -0.130 30 20 DBED C#CCOCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)C=C(C)C)C1 1081228996 VLRNSGOXQPXKGV-ZIAGYGMSSA-N 308.378 -0.072 30 20 DBED N#CCSCC(=O)NC[C@H]1CN(C(=O)c2ccon2)C[C@H]1O 1081285765 CHNDRTUUGNIKBY-GXSJLCMTSA-N 324.362 -0.520 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2ccncn2)C[C@H]1O 1081344741 UNLHLFGHZTVIAU-DGCLKSJQSA-N 320.349 -0.772 30 20 DBED C=CCCOCC(=O)NC[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 1081568849 IEESZDIXRZYNKY-CABCVRRESA-N 320.389 -0.072 30 20 DBED CCn1cc(CC(=O)N2CCO[C@@H]3CN(CC#N)C[C@@H]32)nn1 1083150901 XNQOPDAKARHPGR-QWHCGFSZSA-N 304.354 -0.724 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CN(Cc3ccon3)C[C@@H]2O)c1 1083390198 GNPUJYUHKWZEPV-OLZOCXBDSA-N 301.306 -0.151 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCCCN(C)C2=O)C1 1083947383 QXGUEOABHMBABZ-MJBXVCDLSA-N 309.410 -0.018 30 20 DBED Cn1cnn(CCC(=O)N2C[C@H]3CCN(CC#N)C[C@H]32)c1=O 1084545287 CNEHQZUHSQNDEO-VXGBXAGGSA-N 304.354 -0.972 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)Cc3nc4ncccn4n3)[C@@H]2C1 1084829583 NNKMSYXUJOOSOZ-CHWSQXEVSA-N 310.361 -0.167 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CCN(Cc3nnn(C)n3)C[C@H]2C1 1087910884 CHZWKOFXSOPGKB-UTUOFQBUSA-N 303.370 -0.350 30 20 DBED C#CCN[C@@H]1CCCCCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 1088391503 MIQVEKUAKYLAQN-NEPJUHHUSA-N 306.366 -0.422 30 20 DBED C#CCN[C@H]1CCCCCN(C(=O)CN2CC(=O)NC2=O)C1 1088400128 DXFHHWHZOQKFSD-LBPRGKRZSA-N 306.366 -0.468 30 20 DBED CCN(c1ccc(C#N)nn1)[C@H](C)CNC(=O)[C@H]1COC(=O)N1 1089636382 WZQUDBSKUWBLDH-MWLCHTKSSA-N 318.337 -0.212 30 20 DBED C#CCN1CC[C@H](NC(=O)c2ccnn2CC(F)F)[C@H](O)C1 1090264830 IEQNHYCDVMUTBA-CMPLNLGQSA-N 312.320 -0.054 30 20 DBED CN(C)c1cc(C(=O)N[C@@H]2CCN(CC#N)C[C@H]2O)ccn1 1090614599 APOYZPZDMZWQMN-CHWSQXEVSA-N 303.366 -0.164 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2cccn(C)c2=O)[C@H](O)C1 1090738055 VWLLLXIWENAMGR-UONOGXRCSA-N 303.362 -0.426 30 20 DBED C#CCCN1CC(n2cc(CNC(=O)[C@@H]3CCOC3)nn2)C1 1094279621 OPNNGYKFZVCGQK-GFCCVEGCSA-N 303.366 -0.189 30 20 DBED C=C(C)CN1CC(n2cc(CNC(=O)[C@H]3C[C@H]3C(N)=O)nn2)C1 1094319011 KMJZBUCYXGKCAC-OLZOCXBDSA-N 318.381 -0.552 30 20 DBED Cc1cnn(CC(=O)N[C@@H]2CC(=O)N(C3CN(CC#N)C3)C2)c1 1094707932 SBNPBQAJRSKTSW-GFCCVEGCSA-N 316.365 -0.884 30 20 DBED N#CCN1CC(N2C[C@@H](NC(=O)[C@@H]3C[C@H]3C3CC3)CC2=O)C1 1094795344 NJTQISPFRJRZMQ-FPMFFAJLSA-N 302.378 -0.043 30 20 DBED CNC(=O)CC(=O)N1CCCN(c2ccnc(C#N)n2)CC1 1095177433 RWFHUWWMXYEXPR-UHFFFAOYSA-N 302.338 -0.477 30 20 DBED CCCC(=O)NCC(=O)N[C@H]1C[C@@H](N=c2cc[nH]c(C#N)n2)C1 1097152586 KHCNPODOUUTYGP-PHIMTYICSA-N 316.365 -0.254 30 20 DBED C#CCN(CCO)C1CCN(C(=O)Cc2cncnc2)CC1 1098355149 QIRRNIXMZHDKNI-UHFFFAOYSA-N 302.378 -0.062 30 20 DBED C#CCCCCC(=O)N[C@H]1CCN(Cc2nnnn2C)C[C@@H]1O 1099785301 DODLTEHKXBCETM-STQMWFEESA-N 320.397 -0.545 30 20 DBED C[C@@H](C(=O)NCCN(C)c1nccnc1C#N)n1cncn1 1100028123 GNKQHRMYQXWTID-JTQLQIEISA-N 300.326 -0.247 30 20 DBED N#CCNC(=O)CN1CC[C@H](NC(=O)Cc2ccco2)[C@@H](O)C1 1100042320 XQGSMKUIUCYJJW-STQMWFEESA-N 320.349 -0.987 30 20 DBED C=CCCC(=O)NCC1CC(NCCNS(C)(=O)=O)C1 1100177082 TUPKDOAEBSHOSX-UHFFFAOYSA-N 303.428 -0.014 30 20 DBED CN(CCNC(=O)[C@@H]1CNC(=O)N1)c1ncc(C#N)cc1F 1100292678 LMZXYJGWBZAJSP-JTQLQIEISA-N 306.301 -0.674 30 20 DBED CN(CCNC(=O)[C@H]1CCCCC(=O)N1)c1ccc(C#N)nn1 1100320001 KSEQNLNGOPSVTQ-GFCCVEGCSA-N 316.365 -0.041 30 20 DBED C=CCNC(=O)CNC1CC(CNC(=O)[C@@]23COC[C@@H]2C3)C1 1100345906 GCGKDMDYIHPTMC-UWTNAYQSSA-N 307.394 -0.191 30 20 DBED C=CCN(CC=C)C(=O)CNC1CC(CNC(=O)C(N)=O)C1 1100628618 PWZPIPVEOLGURA-UHFFFAOYSA-N 308.382 -0.843 30 20 DBED CN(CCNc1ccc(C#N)nn1)C(=O)C1CS(=O)(=O)C1 1101794687 WHPWXAXVAMXDJL-UHFFFAOYSA-N 309.351 -0.737 30 20 DBED C[C@@H]1CN(C)C[C@H](C(=O)N(C)CCNc2cnc(C#N)cn2)O1 1102019872 FPBSIJWPXXGMCI-DGCLKSJQSA-N 318.381 -0.062 30 20 DBED CC#CCN1C[C@@H](C)[C@H](CCNC(=O)CN2CCOCC2=O)C1 1103092824 NACDJLPAPPYZIC-HUUCEWRRSA-N 321.421 -0.057 30 20 DBED C[C@H](CNC(=O)[C@@H]1COC(=O)N1)CNc1cncc(C#N)n1 1103944989 IAYLRIBECQBSRH-WPRPVWTQSA-N 304.310 -0.379 30 20 DBED CC[C@@H](NC(C)=O)C(=O)N1CC(n2cc(CNCC#N)nn2)C1 1105333746 NPUYPHLGSFPVHU-CYBMUJFWSA-N 319.369 -0.811 30 20 DBED CN1C[C@H](C(=O)N(C)CCN(C)c2cncc(C#N)n2)NC1=O 1105536155 OLKIYWHVUPAWRX-LLVKDONJSA-N 317.353 -0.734 30 20 DBED Cc1cnn(CC(=O)NC[C@H](O)CNc2ccc(C#N)nn2)c1 1105733630 XZDRKAQQHOAOPF-GFCCVEGCSA-N 315.337 -0.558 30 20 DBED CC[C@@H](NC(C)=O)C(=O)NC[C@@H](O)CNc1ccc(C#N)cn1 1106123229 KMQSPOZZSWCIPD-QWHCGFSZSA-N 319.365 -0.243 30 20 DBED N#Cc1c[nH]ccc1=NC/C=C\CNC(=O)C(=O)NCC1CC1 1107309035 FATSZRKXFMMRIC-UPHRSURJSA-N 313.361 -0.014 30 20 DBED C[C@@]1(C(=O)NC/C=C\CN=c2cc[nH]c(C#N)n2)CCC(=O)N1 1107492196 ILFGBMMGJSDKDF-GWQWAINWSA-N 314.349 -0.477 30 20 DBED C[C@H](CNc1cncc(C#N)n1)NC(=O)[C@@H]1CCNC(=O)C1 1107687022 OPQUUDIFTOEGMP-NXEZZACHSA-N 302.338 -0.209 30 20 DBED Cc1cc(=NC[C@@H](C)NC(=O)[C@H](C)NC(N)=O)c(C#N)c[nH]1 1107691436 BTYHJMYUAYXREU-ZJUUUORDSA-N 304.354 -0.343 30 20 DBED C=CCOCC(=O)NC[C@@]1(C)CN(CC(=O)N(C)C)CCO1 1107811851 UEZRDJJYJHTSKR-HNNXBMFYSA-N 313.398 -0.516 30 20 DBED COc1c(C(=O)N[C@H](C)CN=c2cc[nH]c(C#N)n2)cnn1C 1107876481 IIGNFBJLOLSYAJ-SECBINFHSA-N 315.337 -0.257 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)[C@@H]2CC(=O)N(CC)C2)C1 1107983481 METUQUNPGOQNMN-CJNGLKHVSA-N 307.394 -0.305 30 20 DBED C[C@@]1(CNC(=O)c2ccc3nn[nH]c3n2)CN(CC#N)CCO1 1107985479 LFTURQHLGMADOB-CQSZACIVSA-N 315.337 -0.303 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)[C@H](C)CS(C)(=O)=O)C1 1108424755 ROETYIJHPYEGCN-TZMCWYRMSA-N 316.423 -0.493 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)CO[C@@H](C)CC)CC2=O)C1 1108532368 GEJJYQRFSNOKMS-STQMWFEESA-N 307.394 -0.164 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCCC(N)=O 1110199478 JIHIDPABMAUWCP-AGIUHOORSA-N 320.393 -0.887 30 20 DBED C[C@H]1C[C@H](Nc2cncc(C#N)n2)CCN1C(=O)CNC(N)=O 1110507711 PRUMZKHQZGBMHK-VHSXEESVSA-N 317.353 -0.192 30 20 DBED C#CCN(C(=O)C(N)=O)C1CCN(c2nccc(OC)n2)CC1 1110628950 WGPJXVINKIHWLX-UHFFFAOYSA-N 317.349 -0.599 30 20 DBED CNC(=O)NCC(=O)N[C@]1(C)CCN(c2ccnc(C#N)n2)C1 1110822920 YNCSGFKMBUFJHJ-CQSZACIVSA-N 317.353 -0.638 30 20 DBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cc1nc[nH]n1 1111263290 KKUIJOCQALFBEJ-UTUOFQBUSA-N 318.381 -0.629 30 20 DBED CNC(=O)CC(=O)N[C@H]1CCN(c2ccc(C#N)nn2)C[C@H]1C 1112401162 XLVCVJWHCJVPFU-PWSUYJOCSA-N 316.365 -0.185 30 20 DBED CCN(CCC#N)C(=O)CN1CCN(C(=O)[C@@H]2CCOC2)CC1 1112671993 YFUFCEURVOJLPU-CQSZACIVSA-N 322.409 -0.071 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)Cc2ccn(C)n2)CC1 1112835701 KOHIGCADBMGYMR-CYBMUJFWSA-N 317.393 -0.755 30 20 DBED CC[C@H]1OCCC[C@@H]1C(=O)N1CCN(CC(=O)NCC#N)CC1 1112939598 CFGFQEXSZODTSA-UONOGXRCSA-N 322.409 -0.024 30 20 DBED C[C@@H](N=c1cc[nH]cc1C#N)[C@@H](C)NC(=O)CCn1cnnn1 1113124201 KDTPHNJQEZBPFG-GHMZBOCLSA-N 314.353 -0.243 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CCNC1=O)N(C)c1cncc(C#N)n1 1113802776 UMUAJNDFTRNREA-GXSJLCMTSA-N 302.338 -0.575 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)CCOCC(C)C)[C@H]2C1 1113921935 FSWDKKSBBMWYJD-KBPBESRZSA-N 321.421 -0.155 30 20 DBED C#CCOCCC(=O)N[C@H]1[C@@H]2CN(CC(=O)NC3CC3)C[C@@H]21 1114265492 FUQXNAFWODPTDI-VIKVFOODSA-N 305.378 -0.649 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC=C)C[C@@H]21 1114270289 CNYWWQRDSVYGGA-RMRHIDDWSA-N 305.378 -0.627 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)C3(C(F)F)CC3)[C@@H]2C1 1114282602 CBRPFQWKSDWPCX-NXEZZACHSA-N 311.332 -0.173 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)[C@]3(C)CCC(=O)N3)[C@@H]2C1 1114805521 FJIFKSAFEVQFBQ-UVWXRNBGSA-N 320.393 -0.996 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)c3cnoc3CC)[C@@H]2C1 1114899625 VZNWZKIDOQHTRD-VXGBXAGGSA-N 316.361 -0.354 30 20 DBED C=C(C)CN1C[C@H]2C(NC(=O)CCCN3C(=O)CNC3=O)[C@@H]2C1 1115219243 UJESHOGPKPJKIU-VXGBXAGGSA-N 320.393 -0.059 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3ccnc(C)n3)[C@H]2C1 1115248356 WHEWMIARUICSQY-JYAVWHMHSA-N 313.361 -0.806 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](O)C2)CCN1C1CC1 1119010663 PBNGCLKZSOSNFJ-OLZOCXBDSA-N 306.366 -0.832 30 20 DBED Cc1occc1C(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1 1121019129 XULODFWIEDTICV-JTQLQIEISA-N 301.306 -0.126 30 20 DBED Cn1ccc(CC(=O)NC[C@H](CO)Nc2ncccc2C#N)n1 1121481927 SSFRCDRIFNMEHX-CYBMUJFWSA-N 314.349 -0.182 30 20 DBED CNC(=O)NCC(=O)N1C[C@@H](N=c2cc[nH]c(C#N)n2)C[C@@H]1C 1123317967 CYMGAEGIRWXVAK-UWVGGRQHSA-N 317.353 -0.900 30 20 DBED C#C[C@@H](NC(=O)NCCN1CCC2(C1)OCCO2)[C@@H]1CCCO1 1123707821 LJSKCOQPNQBQTB-KGLIPLIRSA-N 323.393 -0.085 30 20 DBED COCCC(=O)N(C)C[C@@H](O)CNc1nc(C)cc(C#N)n1 1124017811 RNKZIEVDEKFGNI-LBPRGKRZSA-N 307.354 -0.076 30 20 DBED CN(C[C@@H](O)CNc1ncc(C#N)cc1F)C(=O)c1nc[nH]n1 1124461135 VOGKHVMTYHIXMJ-VIFPVBQESA-N 319.300 -0.245 30 20 DBED Cc1conc1C(=O)N(C)C[C@@H](O)CN=c1cc[nH]c(C#N)n1 1124489583 PGJDFLCADSJZNE-JTQLQIEISA-N 316.321 -0.388 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)C1[C@H]2CCC[C@H]12 1125353968 DYWKBBFRPUVGJE-QWRGUYRKSA-N 308.382 -0.250 30 20 DBED C#CCNC(=O)CC(=O)NCCNCc1nnsc1Cl 1125978336 OECIBDIFLFCWNI-UHFFFAOYSA-N 315.786 -0.463 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CN2CCC1CC2 1127481191 QRTRPYRTWLHVJJ-GXTWGEPZSA-N 306.410 -0.828 30 20 DBED NC(=O)CN1CCn2ncc(CNC(=O)C#CC3CC3)c2C1 1128347490 VHQOCUKWRHFBPO-UHFFFAOYSA-N 301.350 -0.786 30 20 DBED C=C(C)[C@@H](CC(=O)NCCNCc1nc(=O)n(C)[nH]1)OCC 1128528245 KQVAUDAZLFMYOR-LLVKDONJSA-N 311.386 -0.315 30 20 DBED Cc1nc2sccn2c1C(=O)NCCNCC(=O)NCC#N 1130239036 WQXIMYWHUDQYRQ-UHFFFAOYSA-N 320.378 -0.337 30 20 DBED C#CCCN[C@@H]1CN(C(=O)CNC(C)=O)C[C@H]1c1cncn1C 1130891376 BIDXGHKBKDRHSB-ZIAGYGMSSA-N 317.393 -0.537 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@@H]2C[C@@H]3CN(CC#N)C[C@]2(C1)O3 1131230155 GNALZNVXDQKERK-HLPPOEQASA-N 303.362 -0.150 30 20 DBED C=CCN1CC[C@]2(C1)CN(C(=O)CCNC(N)=O)C[C@H](C)O2 1131696836 BLPOPRMDPKJYDT-WFASDCNBSA-N 310.398 -0.077 30 20 DBED CN(C)CCC(=O)N1CCC[C@@H](N2CCN(CC#N)CC2=O)C1 1131716943 MWQGAASNMWDGAY-CQSZACIVSA-N 321.425 -0.403 30 20 DBED C[C@H]1Cc2c[nH]nc2[C@H](C(=O)NCCNCC(=O)NCC#N)C1 1132829575 ASLSUBKXODZMCY-CMPLNLGQSA-N 318.381 -0.579 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)CN(C)C(C)=O 1133741415 NPPBSARFLJTXJX-RYUDHWBXSA-N 310.398 -0.913 30 20 DBED CC#CCN[C@H](C)C[C@@H](C)NC(=O)CN1C(=O)C(=O)N(C)C1=O 1135594331 ZHIXXRKNPSNCIJ-GHMZBOCLSA-N 322.365 -0.697 30 20 DBED C#CCN[C@@H](C)C[C@@H](C)NC(=O)c1cc(=O)n2[nH]cnc2n1 1135923491 LDDPOOXQCQTRQG-VHSXEESVSA-N 302.338 -0.463 30 20 DBED CO[C@H](C)CC(=O)N1CC2(CCN(CC(=O)NCC#N)C2)C1 1147217377 BYVULNVGWSMJCV-GFCCVEGCSA-N 308.382 -0.415 30 20 DBED C#CCOCCC(=O)N1CC2(CCN([C@H]3CCN(C)C3=O)C2)C1 1147534929 REEBXCJEKJRZGE-AWEZNQCLSA-N 319.405 -0.209 30 20 DBED C#CCCN1CCCO[C@@H](CNC(=O)[C@@H](C)S(C)(=O)=O)C1 1149904707 VPBHKMQEKFEBNR-OLZOCXBDSA-N 316.423 -0.350 30 20 DBED C=CCCN1CCCO[C@H](CNC(=O)CCn2cnnn2)C1 1150499463 WKFIFNHFTYWVGP-CYBMUJFWSA-N 308.386 -0.154 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1cc(CC)n(C)n1 1153742193 SHGXTARPNCULIF-NSHDSACASA-N 305.382 -0.560 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)Cc1cnn(C)c1 1155563529 CNQCNPYMMXTJOE-LBPRGKRZSA-N 307.398 -0.251 30 20 DBED N#CCNC(=O)CNCCCNC(=O)[C@H]1CN2CCC1CC2 1158197369 XKIKXJGZHWDODB-ZDUSSCGKSA-N 307.398 -0.936 30 20 DBED N#CCN1CC=C(CCNC(=O)Cn2c(O)nnc2O)CC1 1161779317 HCLGVRPJTCMBQW-UHFFFAOYSA-N 306.326 -0.649 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)[C@@H]1CCCC(=O)N1C 1174942944 JDBCMVXIKVQCBY-STQMWFEESA-N 324.425 -0.216 30 20 DBED N#CCNC(=O)CNCCCNC(=O)c1cncnc1C1CC1 1174980343 JSHUNGNLLOUKAC-UHFFFAOYSA-N 316.365 -0.297 30 20 DBED C=CCNC(=O)CN1CCO[C@H]2CCN(C(=O)C(F)F)C[C@H]21 1176870374 FMRLRNPPVHKFNX-MNOVXSKESA-N 317.336 -0.145 30 20 DBED C#CCCN1CCO[C@H]2CCN(C(=O)CNC(=O)C3CC3)C[C@@H]21 1176936046 BPPNYTJTGBYOBP-GJZGRUSLSA-N 319.405 -0.162 30 20 DBED Cc1c(C(=O)N2CC[C@H](NCC(=O)NCC#N)[C@@H]2C)cnn1C 1178108260 BIMZRDHZCRHLOW-AAEUAGOBSA-N 318.381 -0.439 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2ccnnc2)[C@H]1C 1179594642 PELWMBPJUACNGN-AAEUAGOBSA-N 301.350 -0.581 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)c2coc(C(N)=O)c2)C1 1184560686 WDGOOELMEDIACS-LLVKDONJSA-N 320.349 -0.515 30 20 DBED C#CCCCC(=O)N1CC[C@H]2CN(Cc3nc(=O)n(C)[nH]3)C[C@H]21 1187729721 UBDZNANQXJMYRZ-QWHCGFSZSA-N 317.393 -0.055 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)[C@H](C)N2CCOCC2)C1 1188474885 IHULWJKVJKFPDZ-LSDHHAIUSA-N 309.410 -0.453 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 1189388390 FJGAQDJKNDRVNL-KBPBESRZSA-N 308.426 -0.085 30 20 DBED COCC#CCN1C[C@@H]2CCN(C(=O)C[C@H]3CCC(=O)N3)[C@@H]2C1 1189398931 SZBDBEVFTSYJQM-RRFJBIMHSA-N 319.405 -0.162 30 20 DBED CC[C@@H](CN1C[C@@H](O)[C@H](NC(=O)CSCC#N)C1)OC 1191162501 WCXLNFATGLXYFT-QJPTWQEYSA-N 301.412 -0.171 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(Cc2nnc(C)n2CC)C[C@H]1O 1191807167 LVAMRFDGDNHRMT-CHWSQXEVSA-N 323.397 -0.530 30 20 DBED CCC(CC)NC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H](C)C#N)C1 1191881878 JZUALAFNUIMESE-RAIGVLPGSA-N 310.398 -0.388 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(CC(=O)NCC(C)(C)C)C[C@H]1O 1192761884 PUTXFSOYQXUWIS-ZIAGYGMSSA-N 323.437 -0.031 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2nnc(C)o2)C[C@H]1O 1192892626 ZSPBWXABRHJPDA-YUSALJHKSA-N 308.338 -0.922 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)CN(C)S(C)(=O)=O)C1 1193465650 YQKVYIPQZSFVBU-VXGBXAGGSA-N 319.427 -0.995 30 20 DBED C#CCNC(=O)[C@H](C)N1CCCN(C(=O)c2cnn(C)c2)CC1 1194777155 DPGYYTLEWRBOHC-ZDUSSCGKSA-N 317.393 -0.294 30 20 DBED C#CCNC(=O)[C@H](C)N1CCCN(C(=O)c2ccon2)CC1 1195035591 QOVKYEBKRZBBAJ-LBPRGKRZSA-N 304.350 -0.040 30 20 DBED C#CCNC(=O)CC(=O)N1CCCN(Cc2cncn2C)CC1 1195536675 ZJWLQVPXMABKTK-UHFFFAOYSA-N 317.393 -0.406 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)[C@H](CC)NC(C)=O)C1 1196338369 HLCZGEOXBYXYTM-QJPTWQEYSA-N 303.790 -0.185 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)c2nnn(C)c2C)CC1 1199936264 RSOUCGLCIMWEMB-UHFFFAOYSA-N 320.397 -0.380 30 20 DBED N#CCNC(=O)CNC1CCN(C(=O)c2ncccc2O)CC1 1200178793 MVBDJQWMHCENGG-UHFFFAOYSA-N 317.349 -0.379 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)[C@@H]2CCN(C)C2=O)CCCO1 1201206241 WPPQBFVWZSWBSC-ZIAGYGMSSA-N 307.394 -0.305 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)[C@@H](OC)C(C)C)CC1 1202324513 UYSQHVFADDBOIX-HNNXBMFYSA-N 309.410 -0.013 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC(CNCC(=O)NC(N)=O)CC1 1205264473 GBLQVPIHYGJDON-LLVKDONJSA-N 324.381 -0.952 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)CO[C@H](C)CC)[C@H](C)C1 1206879743 NTMFLHFQKMGZIF-MGPQQGTHSA-N 309.410 -0.013 30 20 DBED COCC#CCN[C@H]1CCCN(C(=O)c2nccnc2N)C1 1207704278 CDQZKRHMJXDCGL-LBPRGKRZSA-N 303.366 -0.097 30 20 DBED N#CCNC(=O)CN[C@H]1CCCN(C(=O)c2ccns2)C1 1208258203 CPWLFIASQQLMOX-JTQLQIEISA-N 307.379 -0.023 30 20 DBED CO[C@H](C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C)C(C)C 1208500846 WXHIARNEMXUNHK-BZPMIXESSA-N 310.398 -0.266 30 20 DBED C#CCN[C@H]1CCCN(C(=O)CN(C)S(=O)(=O)CC)C1 1210416635 HKJKBWYOBPWMIS-LBPRGKRZSA-N 301.412 -0.518 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)c2ncc[nH]2)[C@H](OC)C1 1212231154 OENDNNDXPSQQAP-IJLUTSLNSA-N 321.381 -0.471 30 20 DBED Cc1cc(C(=O)N2C[C@@H](NCC(=O)NCC#N)[C@H](C)C2)on1 1214132303 SEDNDZSOKHBSPV-MWLCHTKSSA-N 305.338 -0.327 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)CC(=O)NCC2CC2)C[C@H]1C 1216295635 XOTBZHLCUZGADM-UKRRQHHQSA-N 321.421 -0.011 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(CCc2cnn(C)c2)C[C@@H]1O 1219604880 BTTWAOCHUYDKLM-CFVMTHIKSA-N 320.393 -0.838 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)COc2cccc(C(N)=O)c2)C1 1221071697 HENBHGNZGBYCFJ-KGLIPLIRSA-N 319.361 -0.488 30 20 DBED CN1C(=O)CN(CC(=O)NCC2CCN(CC#N)CC2)C1=O 1225148921 BSJJNXZNLIPIHB-UHFFFAOYSA-N 307.354 -0.768 30 20 DBED C=C[C@](C)(O)CC(=O)NC1CCN(C[C@H](O)COC)CC1 1227124336 RAEHATROMVMJAQ-ZFWWWQNUSA-N 300.399 -0.099 30 20 DBED C#CCO[C@@H](C)C(=O)NC1CCN(CC(=O)NCC#N)CC1 1227298876 FOPVGLSIXHOSQE-LBPRGKRZSA-N 306.366 -0.755 30 20 DBED CC#CCN1CCC(NC(=O)CCS(=O)(=O)NC)CC1 1227322831 DZKXMALSLCBKNO-UHFFFAOYSA-N 301.412 -0.470 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)c2c[nH]nc2C)CC1 1228527007 ZYUGANUFUMSWBY-UHFFFAOYSA-N 303.366 -0.338 30 20 DBED C=CCCC(=O)N(C)C[C@@H]1CCN1CC(=O)N1CCNC(=O)C1 1231121793 ILBCLAFMNMTOGW-ZDUSSCGKSA-N 322.409 -0.556 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)c1ocnc1C 1231406205 YNHQGLAXNRAQFI-LBPRGKRZSA-N 304.350 -0.121 30 20 DBED Cc1cc(NC(=O)C(=O)N[C@@H](C)C(=O)N(C)C)nn1CCC#N 1255739807 DJFRWBRSFMSFGO-JTQLQIEISA-N 320.353 -0.363 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)c2cccnc2OC)C1 1266339821 YQKYYLFFVLSCRL-LBPRGKRZSA-N 316.361 -0.356 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC[C@@H](NC(=O)Cc2nc[nH]n2)C1 1316954071 LFAOTTUZOTVJIG-VXGBXAGGSA-N 318.381 -0.934 30 20 DBED C#Cc1cccc(NC(=O)C(=O)N(C)CCNS(C)(=O)=O)c1 1318468588 XDEZXQWYVSWYER-UHFFFAOYSA-N 323.374 -0.386 30 20 DBED N#CCNC(=O)CNC[C@H]1CCCN1C(=O)Cc1cncs1 1319081104 XDTUSLZEYRFRQX-LLVKDONJSA-N 321.406 -0.094 30 20 DBED C#CCN(CC1CC1)S(=O)(=O)CCCS(=O)(=O)N(C)C 1320866866 VBIFCHFRIQPAKJ-UHFFFAOYSA-N 322.452 -0.057 30 20 DBED C#CCC[C@H](O)CNC(=O)c1ccnc2c(C(N)=O)cnn12 1321197509 IBOLOQSJCLQUSG-VIFPVBQESA-N 301.306 -0.668 30 20 DBED CO[C@@H]1[C@H](C)[C@H](NC(=O)C(=O)N2CCO[C@H](C#N)C2)C1(C)C 1323764059 QGMQAAQLJRBJIB-WISYIIOYSA-N 309.366 -0.087 30 20 DBED CNC(=O)c1ccc(CNC(=O)NCC(=O)NCC#N)cc1 1323828148 UOHAUKIZNLFDCI-UHFFFAOYSA-N 303.322 -0.515 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)N2CCN(C3CCC3)CC2)CCO1 1324891106 XCDIDMGQHXITIG-ZDUSSCGKSA-N 306.366 -0.566 30 20 DBED C#CCSCCNC(=O)C(=O)N[C@@H]1C[C@H](OCC)[C@H]1OC 1329182546 KOBNCFSHXSPIDY-WOPDTQHZSA-N 314.407 -0.222 30 20 DBED CC(C)[C@H](OC(=O)CCN/C(O)=C1/N=CC=CC1=O)C(N)=O 1329380311 USAYSFVGIZNIAZ-PBBNAPBQSA-N 309.322 -0.044 30 20 DBED N#CCCN1CCN(C(=O)C(=O)N2CCC[C@H](CCO)C2)CC1 1330541290 LOGGUBOCEFUBCN-CQSZACIVSA-N 322.409 -0.335 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@H]1C[C@H](C(=O)OC)C1)[C@H]1CCCO1 1330755283 LEGBABMPTFDGEZ-FIQHERPVSA-N 308.334 -0.649 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCC[C@@H]1C(=O)NC(C)(C)C 1334042544 FTLSFAIMQCTCCO-GFCCVEGCSA-N 323.393 -0.342 30 20 DBED C=CCN(C(=O)[C@@H]1CCNC(=O)C1)[C@@H]1CCS(=O)(=O)C1 1340363525 HPPZZAXGZLDDCB-GHMZBOCLSA-N 300.380 -0.286 30 20 DBED C=CCC1(O)CCN(C(=O)C(=O)N2CC(=O)N(C)C[C@H]2C)CC1 1345524753 XLDJFIQTHCSJFG-GFCCVEGCSA-N 323.393 -0.395 30 20 DBED CS(=O)(=O)Nc1ccc(C(=O)NCC(=O)NCC#N)cc1 1346131379 MWUFSCWEWKZGFG-UHFFFAOYSA-N 310.335 -0.572 30 20 DBED C=CCn1cc(CNC(=O)N[C@@H]2CCc3c(nnn3C)C2)nn1 1349783698 BKTHBOIKCNDSLF-SNVBAGLBSA-N 316.369 -0.051 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)[C@@H]2CN3CCN2C[C@@H]3C)C1=O 1349797002 BDENHVGTJAHJMS-IHRRRGAJSA-N 306.410 -0.380 30 20 DBED C[C@H](CS(C)(=O)=O)NC(=O)C(=O)N1CCC[C@H](CC#N)C1 1350752012 XYBOZYRSRLYNDC-GHMZBOCLSA-N 315.395 -0.312 30 20 DBED C=CCn1c(CCO)nnc1N1CCC(C(=O)NOC)CC1 1352102127 RNUROANIYVOBHP-UHFFFAOYSA-N 309.370 -0.107 30 20 DBED N#Cc1cn(CCN2C(=O)c3ccccc3S2(=O)=O)nn1 1363750287 CPHOZSURQPUCAZ-UHFFFAOYSA-N 303.303 -0.006 30 20 DBED C=C(Cl)CN1CC[C@@H]1CNC(=O)CCS(=O)(=O)NC 1367938447 ILGHLBRXCFFRBK-SNVBAGLBSA-N 309.819 -0.131 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(O)(CNCc2cn(C)nn2)CC1 1368679291 QSQDIYZYUQZEAO-NSHDSACASA-N 306.370 -0.582 30 20 DBED C=C(Cl)CNC[C@@H]1CN(C(=O)CNC(=O)OC)CCO1 1376846700 ZHQQKMRFNBITIL-SNVBAGLBSA-N 305.762 -0.088 30 20 DBED C=C(Cl)CN1CC(O)(CNC(=O)C[C@@H]2CCCC(=O)N2)C1 1380602188 ULVYKLABTNQGKI-NSHDSACASA-N 315.801 -0.039 30 20 DBED CCN(CCNC(=O)c1cn(C)c(=O)nc1O)C(=O)[C@H](C)C#N 1387208938 YWOFKQSEDHARKW-SECBINFHSA-N 321.337 -0.776 30 20 DBED COCC(=O)N(C)CC(=O)N(C)C1CC(NC(=O)[C@@H](C)C#N)C1 1405830085 KABKZWPPBCBCQY-UNXYVOJBSA-N 324.381 -0.644 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CCN(C(=O)CCn2ccnn2)C1 1428870329 ULCTYSAOFZSAKB-VXGBXAGGSA-N 304.354 -0.207 30 20 DBED CCN1CCO[C@H](C(=O)N[C@H]2C[C@@H](CNC(=O)[C@H](C)C#N)C2)C1 1429110627 CIBQUWJFALKWBI-MQYQWHSLSA-N 322.409 -0.122 30 20 DBED COc1ccc(NC(=O)c2cn(CC(N)=O)nn2)cc1C#N 1433545879 ZGEYBTIOMLQFPQ-UHFFFAOYSA-N 300.278 -0.104 30 20 DBED COC(=O)[C@@H]1CCN(c2[nH]c(=O)n(C)c(=O)c2C#N)C[C@@H]1C 1434446549 JLMWBPSQQADINK-DTWKUNHWSA-N 306.322 -0.419 30 20 DBED C=C(Cl)CN[C@H](CNC(=O)CN1CCNC(=O)C1)C1CC1 1436804365 VLUJSRZGNYJJKI-GFCCVEGCSA-N 314.817 -0.345 30 20 DBED C=C(Cl)CNC[C@@H](C)CNC(=O)Cn1cnc(C(N)=O)n1 1482103592 WQXXQLRAXIMBEP-MRVPVSSYSA-N 314.777 -0.529 30 20 DBED CN(CCNC(=O)c1cc(C#N)c[nH]1)C(=O)CO[C@H]1CCOC1 1495938836 VYKMFVKXEPTPTI-LBPRGKRZSA-N 320.349 -0.120 30 20 DBED N#Cc1ccccc1CNC[C@H](O)CNC(=O)c1cnn[nH]1 1497006210 PWTIEMSIVSJNRE-LBPRGKRZSA-N 300.322 -0.443 30 20 DBED CCS(=O)(=O)CC(=O)N[C@@]1(C)CCN(C(=O)[C@H](C)C#N)C1 1506455643 JCVRQQONQBHDDR-MFKMUULPSA-N 315.395 -0.312 30 20 DBED C=CCNC(=O)COC(=O)CCc1nc(O)c2cnn(C)c2n1 1518476047 NBNXTGIKGMLODE-UHFFFAOYSA-N 319.321 -0.153 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](CNC(=O)c1cnnc(O)c1)C1CC1 1524440034 JHFRJOVYMCJUHG-GZMMTYOYSA-N 303.322 -0.034 30 20 DBED C=CCNC(=O)CNC1(C)CCN(C(=O)[C@@H]2C[C@@H]2C(=O)O)CC1 1573367821 BIQMMXUBFABPOE-NEPJUHHUSA-N 323.393 -0.020 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](C)N(C)c1ccc(-c2nn[nH]n2)nn1 1573576849 KHDVLUPETOLNDM-RKDXNWHRSA-N 315.341 -0.243 30 20 DBED C[C@@H](CCN=c1cc[nH]c(-c2nn[nH]n2)n1)NC(=O)[C@H](C)C#N 1574671932 CSSKOFDKIYYTAH-BDAKNGLRSA-N 315.341 -0.455 30 20 DBED C#CCCCC(=O)N[C@H](C)CN[C@H](C)C(=O)NCc1cnn[nH]1 1574867136 PTAGQTRYTAPCIW-VXGBXAGGSA-N 320.397 -0.293 30 20 DBED C[C@]12CN(C(=O)[C@H](N)CCCCC#N)C[C@]1(C)C(=O)NC2=O 1576552855 FQANCVJNVYAGPK-VCTAVGKDSA-N 306.366 -0.091 30 20 DBED C#CCN(C)CCCNC(=O)[C@H]1CCCN(CC(=O)O)C1=O 1588396435 ZIOFMBPNPNCRBE-GFCCVEGCSA-N 309.366 -0.619 30 20 DBED C#CC[C@@H](NC(=O)[C@](C)(O)Cn1c(C)cccc1=O)C(=O)O 1588399817 XLDWWCAHKHIMFD-IAQYHMDHSA-N 306.318 -0.500 30 20 DBED CCN(CCC#N)C(=O)CN1C(=O)N[C@@](C)(CCC(=O)O)C1=O 1596299745 ZPUHTKGOGQCXPR-AWEZNQCLSA-N 324.337 -0.076 30 20 DBED C#CC1(O)CN(S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2C)C1 1602690983 OFBPYTCAROQIDM-UHFFFAOYSA-N 319.346 -0.456 30 20 DBED COC[C@@]1(C(=O)O)CCCN1c1[nH]c(=O)n(C)c(=O)c1C#N 1606833881 CVVOMMCPSNWGTP-CYBMUJFWSA-N 308.294 -0.985 30 20 DBED O=c1cnnc(S)n1N=Cc1ccc(-c2nn[nH]n2)cc1 1607090808 WSLYWQAEBOSRNV-UHFFFAOYSA-N 300.307 -0.011 30 20 DBED C[C@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)NCC#CCO 1609133890 QYDMUFIXHKRHCM-JTQLQIEISA-N 301.306 -0.254 30 20 DBED C[C@H](CN1CCN(C)CC1)NC(=O)N1CC[C@](O)(CC#N)C1 1645861587 IWYNTQUEVHADQF-UKRRQHHQSA-N 309.414 -0.318 30 20 DBED CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)N1CC[C@](O)(CC#N)C1 1647246610 OLIPLDHHFOUTEK-IAQYHMDHSA-N 324.381 -0.730 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[C@@H](O)[C@H](CO)C1 1649873484 KZKXSYBJHWDKAF-GRYCIOLGSA-N 305.400 -0.612 30 20 DBED C[C@@H]1COCC[C@@H]1C(=O)NCCCN(C)CC(=O)NCC#N 1752058931 TUEDJYCZLLOZTM-OLZOCXBDSA-N 310.398 -0.263 30 20 DBED CN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](NCC(=O)NCC#N)C1 1752642378 RUXWNIXCQCYVIG-JHJVBQTASA-N 307.398 -0.653 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1C[C@@H](NC(=O)COCC2CC2)C1 1752715199 FTNGWDRHHLPZTB-FPMFFAJLSA-N 307.394 -0.212 30 20 DBED C#CCCN1CC[C@H](CNC(=O)CCCS(N)(=O)=O)C1 1753134188 WTTCBVLJZGBJHK-GFCCVEGCSA-N 301.412 -0.484 30 20 DBED COCC#CCN1CC[C@H](CCNC(=O)c2cnnn2C)C1 1753326575 NBXRFRYCOGXOLU-ZDUSSCGKSA-N 305.382 -0.093 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@@H](C)N(C)C(=O)CCn1cncn1 1753679823 SHHZJNBYWFFRRL-OLZOCXBDSA-N 320.397 -0.757 30 20 DBED C=CCNC(=O)CNC[C@@H]1CCC[C@@H]1NC(=O)c1cnon1 1753900399 XQHTWUUGROFTNB-QWRGUYRKSA-N 307.354 -0.140 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)C1CC(F)(F)C1 1753916583 PSQNKDLDJRXQTL-MWLCHTKSSA-N 317.336 -0.764 30 20 DBED C#CCNC(=O)CNC[C@@H](O)CNC(=O)c1cccc(Cl)c1 1753935905 XXMPOXIGRICPQI-CYBMUJFWSA-N 323.780 -0.230 30 20 DBED C#CCNC(=O)CN(C)C[C@@H](C)NC(=O)[C@H]1CCCN1C(C)=O 1754335767 GROQOPDFQFBLTN-TZMCWYRMSA-N 322.409 -0.817 30 20 DBED C=CCOCCN1CC[C@@H]1CNC(=O)CN1C(=O)CN(C)C1=O 1754503435 YOPVLLKZQHDBFN-GFCCVEGCSA-N 324.381 -0.727 30 20 DBED C=CCCOCC(=O)NC[C@]1(O)CCN(Cc2nncn2C)C1 1754762178 KWDVTRZCUZBKAT-OAHLLOKOSA-N 323.397 -0.539 30 20 DBED N#CCSCC(=O)NCC1(NCC(=O)NC(N)=O)CCC1 1754978014 PNTXNIHIROOAJG-UHFFFAOYSA-N 313.383 -0.933 30 20 DBED C=CCCOCC(=O)N1CCO[C@@H](CNCc2nnnn2C)C1 1755017039 HJMAWZTWZAXVEG-LBPRGKRZSA-N 324.385 -0.880 30 20 DBED CNC(=O)NCCC(=O)N[C@H]1CCCN(CC#CCOC)CC1 1755023574 KATGDSUOPAAAKV-AWEZNQCLSA-N 324.425 -0.074 30 20 DBED C#CCOCCC(=O)N[C@@H](C)C1CN([C@H](C)C(=O)NC(N)=O)C1 1755375295 YDHVCEZEXCKTBA-WDEREUQCSA-N 324.381 -0.954 30 20 DBED COCC#CCN1C[C@@H](NC(=O)CN(C)C(C)=O)C(C)(C)C1 1755404527 FXSZJCAFKDCLBH-CQSZACIVSA-N 309.410 -0.059 30 20 DBED C#CCNCCCOCCNC(=O)c1ccn2nnnc2c1 1755553308 FYLSWVASTCYCLC-UHFFFAOYSA-N 302.338 -0.516 30 20 DBED CN(CC#N)C[C@@H](O)CN(C)C(=O)Cn1cc(C2CC2)nn1 1755801717 HVEMQAJQFRQCMD-GFCCVEGCSA-N 306.370 -0.570 30 20 DBED C=CCOCC(=O)NC[C@@H](O)CN(C)C(=O)c1[nH]c(C)nc1C 1756679408 LNVQLJXZDKXERL-GFCCVEGCSA-N 324.381 -0.222 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(C(=O)[C@H](C)OCC)C[C@H]1O 1756997124 GQZIGWREDAWLRE-YNEHKIRRSA-N 312.366 -0.861 30 20 DBED N#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncc[nH]1)C2 1795417507 PLMVBAKMDYJTFE-PTEHBNRSSA-N 317.349 -0.083 30 20 DBED N#CCC(=O)N1CC2(CCCN2C(=O)CN2CCCC2=O)C1 1842830121 FCFKPNXFYRECRW-UHFFFAOYSA-N 304.350 -0.274 30 20 DBED CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(O)O 1847446078 JEDCXMGBRSJYNT-VWYCJHECSA-N 313.354 -0.700 30 20 DBED COC(=O)C[C@H]1C(=O)NCCN1CC(=O)N[C@](C)(C#N)C1CC1 35770648 NLRWOHPFKLHWLH-XHDPSFHLSA-N 322.365 -0.842 30 20 DBED CN(C)CC(=O)N1CCN(S(=O)(=O)CCCCC#N)CC1 68881110 ZBUAEGRASRMIIY-UHFFFAOYSA-N 316.427 -0.284 30 20 DBED CCCCOCCNC(=O)Cn1c(=O)c(C#N)cn(CC)c1=O 77556438 AUCBXOUKWAMDFB-UHFFFAOYSA-N 322.365 -0.166 30 20 DBED CN1C[C@H](NC(=O)C(=O)N2CCc3ccc(C#N)cc32)CC1=O 270156980 HSBVTOOWJILAKX-GFCCVEGCSA-N 312.329 -0.206 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1C[C@H](C)S(=O)(=O)[C@H](C)C1 289725759 ZHIFGCYVCXUYKQ-AXFHLTTASA-N 317.411 -0.106 30 20 DBED C=CCSCCNC(=O)NCCNS(=O)(=O)N(C)C 297401295 XQLYOGAGBFNLLV-UHFFFAOYSA-N 310.445 -0.399 30 20 DBED N#Cc1ccc(N2CC[C@@H](N3CCO[C@H](C(N)=O)C3)C2=O)cc1 299478696 ZZOHGMJLXBLANE-KGLIPLIRSA-N 314.345 -0.150 30 20 DBED CN1CCO[C@@H]2CN(C/C(O)=N/CC(=O)N3CCCC3)C[C@H]21 329975980 YHXZTYXLMAQUGP-CHWSQXEVSA-N 310.398 -0.420 30 20 DBED CC(C)(C)OC(=O)CCNS(=O)(=O)N1CCO[C@@H](C#N)C1 336895638 MTANZUAMCDVHSP-JTQLQIEISA-N 319.383 -0.223 30 20 DBED COCCN(CCC#N)S(=O)(=O)NC[C@]1(OC)CCOC1 336937297 GTQSZTMDZGXHQI-GFCCVEGCSA-N 321.399 -0.512 30 20 DBED CC(=O)C[C@@H]1COCCN1S(=O)(=O)N1CCO[C@@H](C#N)C1 336946199 ODQWUVIOAWJDGE-NEPJUHHUSA-N 317.367 -0.865 30 20 DBED COC(=O)[C@H]1CCCCN1S(=O)(=O)N1CCO[C@H](C#N)C1 336954451 XPZQMYBJPSWNGR-GHMZBOCLSA-N 317.367 -0.517 30 20 DBED C[C@H](O)C[C@@H]1CCCN1S(=O)(=O)N1CCO[C@@H](C#N)C1 336955351 YITBMIIFXGKUFF-SRVKXCTJSA-N 303.384 -0.309 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CCC[C@H]2C(=O)NC[C@@H]21 337231500 IXOAPSXDIFOHAO-MNOVXSKESA-N 300.384 -0.323 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)Nc2nccc(C)n2)C1=O 337970210 OGLUSHLTLVIEMC-UHFFFAOYSA-N 303.278 -0.300 30 20 DBED CN(C)CCn1ccc(NC(=O)C(=O)N(C)CC(C)(C)C#N)n1 342934463 MOMWLNQJGAPMSO-UHFFFAOYSA-N 320.397 0.391 30 20 DBED COC(=O)[C@@H]1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)[C@@H]1C 344979739 GYEPCDVIFSTPOY-RKDXNWHRSA-N 306.322 -0.657 30 20 DBED COc1cc(C#N)ccc1S(=O)(=O)N(CCO)C[C@H](C)O 349807228 BFZIDAJKFNEDKM-JTQLQIEISA-N 314.363 -0.069 30 20 DBED CCN(CC#N)C(=O)CCS(=O)(=O)NCC(=O)NC(C)C 360090253 OOPMAKVDGZSQCP-UHFFFAOYSA-N 318.399 -0.807 30 20 DBED CC(C)OC[C@H]1CN(C(=O)NCCn2cnc(C#N)n2)CCO1 367867715 TZYXFYRBSGFKHK-GFCCVEGCSA-N 322.369 -0.015 30 20 DBED CS(=O)(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@H](N)CCCC#N 424186447 HLFBYXSTIZKIDI-IJLUTSLNSA-N 316.427 -0.016 30 20 DBED CN(C)C(=O)CNC(=O)C(=O)N(CCC#N)Cc1ccccn1 439592339 HFWBYRQSBNYLQB-UHFFFAOYSA-N 317.349 -0.472 30 20 DBED CCOC(=O)N1CCN(C(=O)[C@@H](C)N2CCO[C@H](C#N)C2)CC1 491520396 YOGBUNJWNIFODU-CHWSQXEVSA-N 324.381 -0.100 30 20 DBED C#CCNC(=O)CCN[C@H]1CCCN(c2ccn(C)n2)C1=O 491655382 RBZMDKSMGWYDDY-LBPRGKRZSA-N 303.366 -0.355 30 20 DBED N#Cc1ccc(NCC(=O)NC[C@@]2(O)CN3CCC2CC3)nc1 515867757 YGQNROAYBBMQBP-MRXNPFEDSA-N 315.377 -0.062 30 20 DBED COc1cc(C#N)ccc1OCC(=O)N[C@@H](CO)CN(C)C 588866959 UACUTBKYLHWWFA-GFCCVEGCSA-N 307.350 -0.016 30 20 DBED C[C@@H](CN)N(C)C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 592469602 ZOMQWVNIYVDIBE-JTQLQIEISA-N 310.379 -0.358 30 20 DBED CC(C)[C@H](C#N)N1CCN(C(=O)Cn2cnc(C(N)=O)n2)CC1 593443946 OWSWPPPWIULDFL-NSHDSACASA-N 319.369 -0.931 30 20 DBED CCN(CCn1cnc2c1c(=O)n(C)c(=O)n2C)[C@H](C)C#N 595817367 LAHAWZXGFQXZNG-SNVBAGLBSA-N 304.354 -0.332 30 20 DBED N#Cc1ccc(CNC(=O)NCCS(N)(=O)=O)cc1F 596625116 MYOMWSOSRJMPJO-UHFFFAOYSA-N 300.315 -0.215 30 20 DBED C[C@H](CN1CCOCC1)NC(=O)N1CCN(CCC#N)CC1 601549463 GYGDHHHDWXJFAA-CQSZACIVSA-N 309.414 -0.052 30 20 DBED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)CNS(=O)(=O)N(C)C 614375598 RKCBHVCXRTZGQC-ZYHUDNBSSA-N 305.400 -0.520 30 20 DBED N#C[C@H]1CN(S(=O)(=O)N[C@@H]2CCN(CC3CC3)C2)CCO1 619709624 SFEKBJLAAMOGHB-OLZOCXBDSA-N 314.411 -0.471 30 20 DBED C=C[C@@](C)(O)C(=O)N1CCN(c2ncnc3c2cnn3C)CC1 665844537 UXVPBSPTFODFPY-OAHLLOKOSA-N 316.365 -0.051 30 20 DBED COc1cc(C=NNC(=S)NCC(N)=O)cc2c1OCO2 731930272 UCZKMSYDHVIFFL-UHFFFAOYSA-N 310.335 -0.293 30 20 DBED CC(=NNC(=S)NCC(N)=O)c1ccc(-c2nn[nH]n2)cc1 735451277 WRKCWUVEVVOVKY-UHFFFAOYSA-N 318.366 -0.460 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ncc(C)cn2)C1=O 764400092 FYTHAGTZTATWKG-UHFFFAOYSA-N 303.278 -0.300 30 20 DBED C#CCNC(=O)COC(=O)c1ccc(S(N)(=O)=O)cc1F 769859910 IEMYGXDFAOULHT-UHFFFAOYSA-N 314.294 -0.621 30 20 DBED C#C[C@H](NC(=O)c1cn(Cc2noc(C)n2)nn1)[C@H]1CCCO1 784892522 HFDJVQLLDJNPNB-CMPLNLGQSA-N 316.321 -0.072 30 20 DBED C#CCNC(=O)[C@@H](C)OC(=O)CNc1ccc(C(N)=O)cc1 786269847 IVYYGFXNXOGZGH-SNVBAGLBSA-N 303.318 -0.122 30 20 DBED CCC(=O)N1CC[C@@H](C(=O)NS(=O)(=O)CC2(C#N)CC2)C1 793203514 MMNVRDFHJCFIHE-SNVBAGLBSA-N 313.379 -0.005 30 20 DBED COC(=O)CC(C)(C)NS(=O)(=O)N1CCO[C@@H](C#N)C1 800060885 YQGFARVDJFWSIX-VIFPVBQESA-N 305.356 -0.613 30 20 DBED C=CC[C@@H](CO)CNC(=O)C(=O)N=c1ccnc2n(C)[nH]cc1-2 806963819 RTATTXVVCDDVQT-SNVBAGLBSA-N 317.349 -0.419 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@@H]1CCn2ccnc2C1)[C@H]1CCCO1 809310779 UQCAXPGYHQPBIY-FRRDWIJNSA-N 316.361 -0.389 30 20 DBED C#C[C@@H](NC(=O)C(=O)N(C)CCN1CCCC1)[C@H]1CCCO1 809313191 ROLWXNSVXNVGDF-ZIAGYGMSSA-N 307.394 -0.162 30 20 DBED Cn1cnn(CCC(=O)OCC(=O)NC2(C#N)CCC2)c1=O 815266734 JNVCUVWXOWNKKI-UHFFFAOYSA-N 307.310 -0.922 30 20 DBED O=C(COc1ccccc1)NCC(=O)N[C@@H]1CCCN(O)C1=O 816756505 YOKHTWCTUYFXQV-GFCCVEGCSA-N 321.333 -0.322 30 20 DBED C#CCN(C)CCCNC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 818595660 HUIFAQFKYWHVGO-GFCCVEGCSA-N 303.366 -0.166 30 20 DBED CC1=NO[C@H](C(=O)NCC#CCNC(=O)[C@@H]2CC(C)=NO2)C1 831957415 SFAXTBRABLUXAI-RYUDHWBXSA-N 306.322 -0.448 30 20 DBED C#C[C@H](NC(=O)N1CCC[C@H](C(=O)NCCN)C1)[C@@H]1CCCO1 841881743 UOEUYFYBUDMHFD-IHRRRGAJSA-N 322.409 -0.336 30 20 DBED N#Cc1cccc(C(=O)COC(=O)[C@H]2CCS(=O)(=O)N2)c1 845377046 XDPCCXRYYXIOMU-LLVKDONJSA-N 308.315 -0.024 30 20 DBED C=C(C)CONC(=O)NCCS(=O)(=O)N1CCOCC1 845596548 YGXNTCOJUWNZBD-UHFFFAOYSA-N 307.372 -0.545 30 20 DBED C#C[C@H](NC(=O)C(=O)NCCN1CCCC1=O)[C@@H]1CCCO1 846737703 MBJCYIPUDNVQDY-RYUDHWBXSA-N 307.350 -0.978 30 20 DBED COCCCNC(=O)[C@H](C#N)C(=O)c1ccn2nnnc2c1 850753340 YBRPELJVHOCIFS-SNVBAGLBSA-N 302.294 -0.401 30 20 DBED C#CC[C@H](CO)NC(=O)[C@@](C)(O)CN1Cc2ccccc2C1=O 854543612 YKGAASACUUPDNT-DYVFJYSZSA-N 316.357 -0.106 30 20 DBED C#CC1(O)CN(S(=O)(=O)c2cc(C(=O)OC)ccc2F)C1 908232714 UTUNQHOVYOMUQF-UHFFFAOYSA-N 313.306 -0.019 30 20 DBED C=CCn1cc(C(=O)NCC(=O)NCCN2CCCCC2)nn1 909315825 RVWBAKMYFJBVNG-UHFFFAOYSA-N 320.397 -0.204 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)Cc3nc[nH]n3)C2)nc1 938900626 ISVKJVUCTGPXAM-LBPRGKRZSA-N 324.344 -0.246 30 20 DBED C=CCN1CC[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)[C@@H](C)C1 942106455 OTGJIZMPAVLHQH-QWHCGFSZSA-N 320.393 -0.440 30 20 DBED C[C@H]1C[C@H](NC(=O)Cn2ccc(O)nc2=O)CCN1CC#N 947512398 VNVPIORGLOVWKZ-WDEREUQCSA-N 305.338 -0.558 30 20 DBED C#CCN1CCOC2(CCN(C(=O)[C@@H]3COCCN3C)CC2)C1 949343725 ONFLBXLTDKSRFK-HNNXBMFYSA-N 321.421 -0.356 30 20 DBED C=CC(C)(C)C(=O)N1CC(N(C)C(=O)Cn2cnnc2O)C1 954110021 ODFGHWIOFZMETP-UHFFFAOYSA-N 307.354 -0.135 30 20 DBED CN(C(=O)[C@H]1CC[C@@H](C(N)=O)C1)C1CN(C(=O)C#CC2CC2)C1 955352593 UWOPOWUGQBWYAA-OLZOCXBDSA-N 317.389 -0.029 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2ccc(NC(C)=O)cn2)C1 958122719 ZWDRKCGBUBPWQZ-SWLSCSKDSA-N 316.361 -0.304 30 20 DBED C=CCN1C[C@@H](O)[C@@H](CNC(=O)c2cnn3cccnc23)C1 958309395 LAODFJPYUOYMFW-WCQYABFASA-N 301.350 -0.062 30 20 DBED CC#CCN1C[C@H](O)[C@H](CNC(=O)c2cc(C(N)=O)co2)C1 958403555 HLLRMVAICLVXLR-NEPJUHHUSA-N 305.334 -0.576 30 20 DBED C=CCN1C[C@H](CNC(=O)c2c(C)c[nH]c2CC(N)=O)[C@@H](O)C1 958409976 XUYJEHFFUNWANE-AAEUAGOBSA-N 320.393 -0.441 30 20 DBED C=CCN1C[C@@H](O)[C@H](CNC(=O)c2cn(CC3CC3)nn2)C1 958527146 VZLSOCKVIJZXBP-TZMCWYRMSA-N 305.382 -0.103 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cc2ccc[nH]2)C1 958861292 FYHQMPKPMSJUQR-WXHSDQCUSA-N 304.350 -0.253 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2ccns2)C1 958863233 QFWUUMDLIJXAMJ-UTLUCORTSA-N 308.363 -0.054 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cc2cnoc2)C1 958930723 YTTRTTAQHIYWOH-DLOVCJGASA-N 306.322 -0.593 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H]1CN(C)Cc1nc(=O)n(C)[nH]1 960488327 ATZRXEHMRKQQBJ-GHMZBOCLSA-N 306.370 -0.309 30 20 DBED C#CCN1C[C@@H]2C(NC(=O)c3c(C)c[nH]c3CC(N)=O)[C@H]2C1 961841917 XAQOWSKTXKVNNH-QWRGUYRKSA-N 300.362 -0.356 30 20 DBED C=CCCn1cc(C(=O)NC2[C@@H]3CN(CCCO)C[C@@H]23)nn1 962003859 RDKAFWCGTXNCDL-VXGBXAGGSA-N 305.382 -0.103 30 20 DBED C#Cc1ccc(C(=O)N2C[C@H]3CN(C(=O)C(N)=O)C[C@H]3C2)nc1 962015562 ILSJWAMJSQYHQW-TXEJJXNPSA-N 312.329 -0.921 30 20 DBED CN(C(=O)C1CC(=O)NC(=O)C1)C1CCC(NCC#N)CC1 964023927 BGAWRDFWVUYJOW-UHFFFAOYSA-N 306.366 -0.078 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(C[C@H](NC(=O)Cc3cc[nH]n3)CO2)C1 965663773 UGHSSBTXOSTTTL-JQWIXIFHSA-N 317.349 -0.402 30 20 DBED C[C@H](C#N)C(=O)N1CC2(C[C@H](NC(=O)c3ncn(C)n3)CO2)C1 965696303 PEUHOMLJXHSYHC-ZJUUUORDSA-N 318.337 -0.926 30 20 DBED C#CCCN1CC[C@H](C)[C@H](NC(=O)c2nnc(O)nc2O)C1 967258311 PKIPRUDOYZVYRM-VHSXEESVSA-N 305.338 -0.254 30 20 DBED C=CCCn1cc(C(=O)N(CC)C2CN(C(=O)C(N)=O)C2)nn1 968000834 RHOGABYJYFCDBM-UHFFFAOYSA-N 320.353 -0.988 30 20 DBED C=CCn1cc(C(=O)N2CC[C@@H](NCC(=O)N3CCC3)C2)nn1 970205841 NZUYLTQYHPZOEH-GFCCVEGCSA-N 318.381 -0.500 30 20 DBED C=CCN1CC[C@H](N[C@@H]2CCN(C(=O)Cc3ncc[nH]3)C2)C1=O 970341975 VMDHVWQQBGIGFD-OLZOCXBDSA-N 317.393 -0.070 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)[C@@H](C)n3cncn3)[C@H]2C1 976381582 XWANZABYEFRYOI-RNWYCLNJSA-N 302.338 -0.428 30 20 DBED C=CCN1C[C@@H]2C(CNC(=O)c3cnc(O)n(C)c3=O)[C@H]2C1 978595296 KDFOPDDBGWLSPR-VXGBXAGGSA-N 304.350 -0.421 30 20 DBED COc1ncnc(OC)c1C(=O)NCC1[C@@H]2CN(CC#N)C[C@@H]12 979133813 NXWUFCGWUYVSLY-QWRGUYRKSA-N 317.349 -0.075 30 20 DBED N#Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3cnn[nH]3)C2)[nH]1 982962526 DHLRYBQPVMTRMV-VIFPVBQESA-N 313.321 -0.103 30 20 DBED CN(CC#N)C1CCN(C(=O)CN2CCC(=O)NC2=O)CC1 985742491 PJAAVQJKPDRRIQ-UHFFFAOYSA-N 307.354 -0.625 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CN(C)C(=O)[C@H]2C[C@H]2C(N)=O)CC1 988623590 ASZRQWYSBBZGDM-UHTWSYAYSA-N 320.393 -0.036 30 20 DBED C#CCN1CCC[C@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)[C@H]1C 994178001 YLGGAHMQAILFQL-NEPJUHHUSA-N 320.393 -0.081 30 20 DBED C[C@H](C#N)C(=O)N1CC(NC(=O)c2cc(CN(C)C)on2)C1 995006420 UGYUXHFPDUMLEU-SECBINFHSA-N 305.338 -0.164 30 20 DBED O=C(C#CC1CC1)N1CCC[C@H](NCC(=O)N2CCOCC2)C1 999126038 DJBHWKJVXGRUFH-HNNXBMFYSA-N 319.405 -0.161 30 20 DBED C#Cc1cncc(C(=O)NC2CN(C(=O)Cc3n[nH]c(C)n3)C2)c1 999304575 NCEGVWVTXFLIHU-UHFFFAOYSA-N 324.344 -0.327 30 20 DBED C=CCN1CCC(N(C)C(=O)c2cn(CC(N)=O)nn2)CC1 1006444595 WEYNSDIDUSCELV-UHFFFAOYSA-N 306.370 -0.514 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C(=O)CCn2cnccc2=O)CC1 1012328231 QCQSIDUXVPZUTO-LBPRGKRZSA-N 317.349 -0.536 30 20 DBED C#CCN1CCC2(CC1)C[C@H]2NC(=O)c1cc(=O)n(C)cn1 1016671741 YNSXRQPCDJEOFT-CYBMUJFWSA-N 300.362 -0.002 30 20 DBED C=CCN1CCC2(CC1)C[C@@H]2NC(=O)CN1CC(=O)NC1=O 1016882065 MAJSVOCWCWOBJC-NSHDSACASA-N 306.366 -0.305 30 20 DBED C=CCn1cc(C(=O)N2[C@H]3CC[C@H]2CN(CC(N)=O)C3)nn1 1018044237 XLSWFGLMXTXBFI-QWRGUYRKSA-N 304.354 -0.762 30 20 DBED C=CCN1CC[C@H](N[C@H]2C[C@H](NC(=O)c3cnn(C)n3)C2)C1=O 1020744380 VDFLGLUEKSLWMB-SRVKXCTJSA-N 318.381 -0.548 30 20 DBED C=CCN1CC[C@@H](NC[C@@H]2CCCN(C(=O)C(N)=O)C2)C1=O 1024126123 CVXSROVVYWACTD-NWDGAFQWSA-N 308.382 -0.913 30 20 DBED N#CCN[C@@H]1CC[C@H]2CN(C(=O)CC3CS(=O)(=O)C3)C[C@@H]21 1026298472 QFGJPDNULMHIHA-RWMBFGLXSA-N 311.407 -0.229 30 20 DBED Cn1c(=O)ccn(CC(=O)NC2CCC(NCC#N)CC2)c1=O 1026502999 GQOHITDCASJPGW-UHFFFAOYSA-N 319.365 -0.912 30 20 DBED O=C1CC[C@H](N2[C@H]3CC[C@H]2CN(C(=O)C#CC2CC2)C3)C(=O)N1 1029302969 XVYXBFLYKHOGLG-IHRRRGAJSA-N 315.373 -0.120 30 20 DBED CC#CCN1C[C@@H]2C[C@H]1CN2C(=O)CCn1cc[nH]c(=O)c1=O 1032686544 XTDFMTBNIQJQKD-STQMWFEESA-N 316.361 -0.765 30 20 DBED C=C(C)CN1CC[C@H](N(C)C(=O)CN2CCN(C)C(=O)C2)C1 1033209175 YQYYUBOMULKDTI-AWEZNQCLSA-N 308.426 -0.131 30 20 DBED C=CCN1CC[C@@H](N2CC[C@@H](N(C)C(=O)c3nc[nH]n3)C2)C1=O 1033514615 XLYHEYCHOCYEDS-VXGBXAGGSA-N 318.381 -0.262 30 20 DBED N#CCN1CCO[C@H](CNC(=O)c2ccc3nn[nH]c3c2)C1 1035601969 DQAKMOVJQZNZBB-LLVKDONJSA-N 300.322 -0.088 30 20 DBED CC#CCN1CCO[C@@H](CNC(=O)[C@H]2CCc3nncn3C2)C1 1035610243 VMTBNYQXMZRLTG-KBPBESRZSA-N 317.393 -0.319 30 20 DBED C=C(C)CCC(=O)NC[C@@]1(O)CCN(C(=O)c2ncn(C)n2)C1 1039987851 ZFYHOENNPDABLT-HNNXBMFYSA-N 321.381 -0.135 30 20 DBED CN1CC(=O)N(CC(=O)N2C[C@@H]3CCC[C@H](C2)N3CC#N)C1=O 1039995724 SFLNJNHKXQMEID-TXEJJXNPSA-N 319.365 -0.531 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)CCCCN(C)C)C1 1040429696 IVHSUCWAHBYSMV-CJNGLKHVSA-N 324.425 -0.042 30 20 DBED O=C(NC[C@]1(O)CCN(C(=O)C#CC2CC2)C1)c1cccnn1 1040682650 SATWUAKQTHDJNC-MRXNPFEDSA-N 314.345 -0.417 30 20 DBED Cc1ncc(C(=O)N[C@@H]2CN(c3ccc(C#N)nn3)C[C@H]2O)[nH]1 1040951680 HOCHNERUDQCBQK-VXGBXAGGSA-N 313.321 -0.641 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@]2(CCN(Cc3nnn(C)n3)C2)C1 1041144879 BMCRKADGCUAXDU-SMDDNHRTSA-N 303.370 -0.206 30 20 DBED N#Cc1ccc(NC[C@H]2CN(C(=O)CC(N)=O)CCCO2)nn1 1041486084 DVMZFYAVDPPCKM-NSHDSACASA-N 318.337 -0.747 30 20 DBED N#Cc1nc(=N[C@H]2C[C@H]3CC[C@H]2N(C(=O)CC(N)=O)C3)cc[nH]1 1041650958 FNORHJDSWWKQEZ-OUAUKWLOSA-N 314.349 -0.563 30 20 DBED C#CCCN1CC[C@]2(CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)C1 1041676020 UHYXRRVOCVAVCF-VBQJREDUSA-N 319.405 -0.033 30 20 DBED N#CCN1CC[C@@]2(CCN(C(=O)c3nccnc3C(N)=O)C2)C1 1041822153 KSHYKKUFOARXTN-OAHLLOKOSA-N 314.349 -0.363 30 20 DBED C[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1NC(=O)[C@H]1C[C@H]1C(N)=O 1042496528 WDCJJMSXUZZUAW-KXGXSXBTSA-N 314.349 -0.589 30 20 DBED C#CCC1(C(=O)NCC2(O)CN(C(=O)CC)C2)CCOCC1 1043353095 QEMHWHLTSZHBCV-UHFFFAOYSA-N 308.378 -0.094 30 20 DBED Cc1cc[nH]c1C(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1043926021 XSXIKEBZRUMMHP-NEPJUHHUSA-N 312.333 -0.036 30 20 DBED N#Cc1cnc(N2C[C@H](O)[C@H](NC(=O)[C@H]3CC3(F)F)C2)cn1 1043926115 AZYKYEPVBXOORJ-BBBLOLIVSA-N 309.276 -0.331 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)[C@@H]2CC[C@H]2C(N)=O)C1 1044451863 LOFPJZNUZMGIIN-GHMZBOCLSA-N 323.393 -0.600 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)c2csc(O)n2)C1 1045050940 NUWFFXTXXIZLCP-UHFFFAOYSA-N 323.374 -0.189 30 20 DBED C=C[C@@H](C(=O)N1CC(O)(CNC(=O)C(N)=O)C1)c1ccccc1 1045500501 UIJJHKQGHATGIW-GFCCVEGCSA-N 317.345 -0.869 30 20 DBED Cc1nc(CC(=O)N2CCN([C@@H]3CCN(CC#N)C3)CC2)n[nH]1 1046028417 BNXQXNLOLBMBDX-CYBMUJFWSA-N 317.397 -0.602 30 20 DBED C#CCCN1CC[C@@H](N2CCN(C(=O)c3[nH]nnc3C)CC2)C1 1046051030 UVPOFXINDMBWPO-CQSZACIVSA-N 316.409 -0.031 30 20 DBED C=C(C)CN1CC[C@H](N2CCN(C(=O)[C@H]3CNC(=O)N3)CC2)C1 1046059116 ZJBKUCAVMDXTFH-UONOGXRCSA-N 321.425 -0.538 30 20 DBED C=C(C)CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCNC(=O)C2)C1 1047344543 BQTNNMDDKCLKGF-IHRRRGAJSA-N 309.410 -0.018 30 20 DBED C=C(C)CN1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C(N)=O)nc2)C1 1047648646 WXFWPDZOGWERHT-KBPBESRZSA-N 318.377 -0.126 30 20 DBED C=C(C)CCN1C[C@H]2CN(C(=O)C[C@@H]3NC(=O)NC3=O)C[C@H]2C1 1048868632 GSWBTUFILWXUTN-XQQFMLRXSA-N 320.393 -0.059 30 20 DBED C=C(C)CCC(=O)N(C)[C@H]1CN(C(=O)[C@H]2CCNC2=O)C[C@@H]1O 1048937637 REABOSBVBLWWPV-AVGNSLFASA-N 323.393 -0.491 30 20 DBED C=CCOCC(=O)N1CC[C@H]([C@@H](C)NC(=O)CC(=O)NC)C1 1050298929 YZMKKKCDNCEAIL-NEPJUHHUSA-N 311.382 -0.322 30 20 DBED CC(C)N1CCO[C@H](C(=O)NC[C@@H]2COCCN2CC#N)C1 1051081154 HRFHPWIVLIYHOD-KGLIPLIRSA-N 310.398 -0.564 30 20 DBED C=CCCn1cc(C(=O)NC[C@@H]2COCCN2C[C@@H](C)O)nn1 1051156796 YNEHWLOSBDKZJU-CHWSQXEVSA-N 323.397 -0.334 30 20 DBED C=C(C)CN1CCOC[C@@H]1CNC(=O)C1CC(=O)NC(=O)C1 1051163873 KAUNFKOUGUCQLH-LBPRGKRZSA-N 309.366 -0.568 30 20 DBED C=CCN1CCOC[C@@H]1CNC(=O)[C@@H]1CCc2nn[nH]c2C1 1051209797 NKIQTDALEUVTMU-NEPJUHHUSA-N 305.382 -0.087 30 20 DBED C=CCN1CCOC[C@H]1CNC(=O)[C@H]1CCc2nn[nH]c2C1 1051209798 NKIQTDALEUVTMU-NWDGAFQWSA-N 305.382 -0.087 30 20 DBED N#CCN1CCN([C@@H]2CCN(C(=O)CC3OCCCO3)C2)CC1 1052017706 ROCMUIVYDFIBEV-CQSZACIVSA-N 322.409 -0.118 30 20 DBED C#CCN1CCN([C@@H]2CCN(C(=O)[C@H]3CCC(=O)N3C)C2)CC1 1052068260 CVWCGPOHPAPUNB-HUUCEWRRSA-N 318.421 -0.541 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1C 1052660386 GVMYBXAFKHUPPG-QWHCGFSZSA-N 318.381 -0.313 30 20 DBED C#CCN1CC2(C1)CN(C(=O)[C@H]1CC(=O)N[C@H](C)C1)CCO2 1053321600 LSFBJPYZVCSNJJ-CHWSQXEVSA-N 305.378 -0.553 30 20 DBED N#CCN1CC2(C1)CN(C(=O)[C@@H]1CCCCN1C(N)=O)CCO2 1053504757 PFJTZMYRWDLMEU-LBPRGKRZSA-N 321.381 -0.644 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)c3cn(CC4CC4)nn3)CO2)C1 1053969661 UJMTXBSJOLIVFZ-GFCCVEGCSA-N 316.365 -0.215 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)[C@@H]1CCC(=O)N1C 1057173960 LPPHBEPXPHHXIH-LBPRGKRZSA-N 311.382 -0.490 30 20 DBED Cc1nccn1CC(=O)NCCN(CCO)C(=O)C#CC1CC1 1057535909 HUAVSFWYXHVTFP-UHFFFAOYSA-N 318.377 -0.458 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)[C@@H]1CCCNC1=O 1057882259 IMCFWXRLCCGRRE-CYBMUJFWSA-N 323.393 -0.891 30 20 DBED C=CCCOCC(=O)N(CCO)CCNC(=O)c1ccon1 1057919377 YLLOGPKJVHSTDH-UHFFFAOYSA-N 311.338 -0.182 30 20 DBED COc1cc(C(=O)N(CCO)CCNC(=O)[C@H](C)C#N)ccn1 1058053845 VLTMRKHSABFLMY-LLVKDONJSA-N 320.349 -0.199 30 20 DBED N#Cc1ccc(N2CCC[C@H](NC(=O)[C@H]3COC(=O)N3)C2)nn1 1058152375 RFCHHEQMYBKCOB-WDEREUQCSA-N 316.321 -0.458 30 20 DBED Cc1c(C(=O)N[C@H]2CCN(c3ccc(C#N)nn3)C2)nnn1C 1058334610 QDNVREUIBYOZCO-NSHDSACASA-N 312.337 -0.206 30 20 DBED N#Cc1ccc(C(=O)NCCN(CCO)C(=O)c2cnon2)[nH]1 1058510255 LNARSHXCPLVLDN-UHFFFAOYSA-N 318.293 -0.866 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)c1nccs1 1058532248 RDRZRVGJQMGOJF-UHFFFAOYSA-N 313.379 -0.104 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)[C@@H](C)c1cnn(C)c1 1058895274 SYWOCIPVNNPMRU-RYUDHWBXSA-N 321.381 -0.380 30 20 DBED C[C@]1(C(=O)N[C@H]2C[C@@H](Nc3nccnc3C#N)C2)CNC(=O)C1 1059773170 DTJDEHFNQLVDFZ-HFBDOXOYSA-N 314.349 -0.066 30 20 DBED N#Cc1nccnc1N[C@H]1C[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1 1059803175 VSSKHQCVUWGINM-KHQFGBGNSA-N 301.310 -0.911 30 20 DBED C=CCOCC(=O)N1CCOC[C@@H]1CNC(=O)c1cnccn1 1061222321 PVRYQRAKVYRUFH-LBPRGKRZSA-N 320.349 -0.364 30 20 DBED C=CCOCC(=O)N1CCOC[C@H]1CNC(=O)[C@@H](C)OCC 1061334133 HONMUXLQOMZCJK-CHWSQXEVSA-N 314.382 -0.042 30 20 DBED C=CCOCC(=O)N1CCOC[C@@H]1CNC(=O)c1ccnn1C 1061391714 GHPSAWNIGQPNQV-LBPRGKRZSA-N 322.365 -0.420 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1COCCN1C(=O)[C@H]1C[C@H]1C(N)=O 1061568321 GHUCASLGUMSOQL-UPJWGTAASA-N 321.377 -0.889 30 20 DBED CCN(CC)CC(=O)NC[C@H]1COCCN1C(=O)[C@H](C)C#N 1061603031 UVSOOAAYFAUIOG-OLZOCXBDSA-N 310.398 -0.169 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)Cc1cnc[nH]1 1061853688 UNMGTVZLCIAXPX-JQWIXIFHSA-N 305.338 -0.545 30 20 DBED C[C@H](C#N)C(=O)N1CCCC[C@@H]1CNC(=O)C1(C(N)=O)CC1 1062333283 LYKAFEOCUHFZJB-GHMZBOCLSA-N 306.366 -0.091 30 20 DBED C[C@@H](Nc1cnc(C#N)cn1)[C@H]1CCCN(C(=O)C(N)=O)C1 1063905438 YZTHWBMBCDDIET-ZJUUUORDSA-N 302.338 -0.127 30 20 DBED C=CCO[C@@H](C)C(=O)NC1(CNC(=O)c2nnn(C)n2)CCC1 1064050651 KIYGTKVZXGCACG-JTQLQIEISA-N 322.369 -0.430 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCO[C@@H](CNC(=O)c2cc[nH]n2)C1 1065151691 BLFDUJACIRIHKG-RYUDHWBXSA-N 320.349 -0.595 30 20 DBED C=CC(C)(C)C(=O)NC[C@@H]1CN(C(=O)[C@H]2CCNC2=O)CCO1 1065423135 XBBAQLWHMRDCIX-NEPJUHHUSA-N 323.393 -0.322 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)c2nnn(C)n2)CCO1 1065467744 IXPWVRCNTFCHQD-SNVBAGLBSA-N 308.342 -0.867 30 20 DBED CCOCC(=O)N1CCN([C@@H]2CCN(C(=O)[C@H](C)C#N)C2)CC1 1065710608 ASMDXWZWKZEUBQ-ZIAGYGMSSA-N 322.409 -0.072 30 20 DBED Cn1nnc(C(=O)NC2CC(CNc3cnc(C#N)cn3)C2)n1 1067878694 ISCPOQIEOFHQBA-UHFFFAOYSA-N 313.325 -0.508 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC2(CN(C(=O)C(F)F)CCO2)C1 1068266514 MBASZNXLQRLETR-JTQLQIEISA-N 316.304 -0.270 30 20 DBED C[C@H]1C[C@@H](CNc2cnc(C#N)cn2)CN1C(=O)CC(N)=O 1068304128 WYHWQRSBJNARNJ-UWVGGRQHSA-N 302.338 -0.127 30 20 DBED C[C@]12CN(C(=O)C(N)=O)C[C@@]1(C)CN(c1ccc(C#N)nn1)C2 1068426668 GEDHIDJPNFMGQY-GASCZTMLSA-N 314.349 -0.492 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC2(CC[C@H](CNC(=O)COC)O2)C1 1068493282 SFOPLDMVTPSAJU-QWHCGFSZSA-N 324.377 -0.453 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H]1CCC2(CN(C(=O)COC)C2)O1 1068574199 ZJZLZSFMLZUVPW-STQMWFEESA-N 324.377 -0.453 30 20 DBED C[C@@H]1[C@@H](Nc2ccc(C#N)nn2)CCN1C(=O)CS(C)(=O)=O 1068775326 WCBOHLPMCDJIMB-KOLCDFICSA-N 323.378 -0.206 30 20 DBED CO[C@H](C)C(=O)N1CC2(C[C@H](NC(=O)C#CC3CC3)CO2)C1 1068860744 QLXGECIVVNVDJQ-YPMHNXCESA-N 306.362 -0.079 30 20 DBED CN(C(=O)[C@@H]1CCNC1=O)C1CC(Nc2nccnc2C#N)C1 1069787858 GUHVWCJGRKTJGS-VQXHTEKXSA-N 314.349 -0.114 30 20 DBED CC(C)C#CC(=O)NCC1(NC(=O)CNC(N)=O)CCOCC1 1069976209 RGZGLPURIHNRDH-UHFFFAOYSA-N 324.381 -0.904 30 20 DBED COCC(=O)NCC1(NC(=O)CSCC#N)CCOCC1 1069998830 XIAQFFPOIKHCMK-UHFFFAOYSA-N 315.395 -0.329 30 20 DBED C=CCN[C@@H]1CN(C(=O)Cc2cnc[nH]2)C[C@@H]1n1ccnn1 1070284430 CDNZDFZICINOJH-OLZOCXBDSA-N 301.354 -0.229 30 20 DBED C=C(C)CN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C(N)=O)CC1 1070377248 NMYHQZXTBLWSJG-OCCSQVGLSA-N 322.409 -0.477 30 20 DBED CN(C)C(=O)CC(=O)N1CCC[C@@H](NC(=O)C#CC2CC2)C1 1070748917 ORAQHJUPSHPCNQ-CYBMUJFWSA-N 305.378 -0.015 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)C(C)(C)C(N)=O)C[C@@]3(C1)O2 1070812995 FBIVQELWPQVZLK-HWWQOWPSSA-N 305.378 -0.567 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CCCN(C(=O)c2cn(C)c(=O)n2C)C1 1070893856 WIHJTRRSCPEGAJ-GHMZBOCLSA-N 319.365 -0.396 30 20 DBED C=CCCOCC(=O)N1CCC[C@@H](NC(=O)CNC(N)=O)C1 1070901451 ZOMGYJRWAKREGH-LLVKDONJSA-N 312.370 -0.645 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(C(=O)CNC(C)=O)C[C@H]1C 1071509308 BJHXECWGBGHKIP-DGCLKSJQSA-N 309.366 -0.875 30 20 DBED C[C@H]1CN(C(=O)CSCC#N)C[C@@H]1NC(=O)c1cnon1 1071662262 TWVBMCDWKRHTHJ-WPRPVWTQSA-N 309.351 -0.097 30 20 DBED C#CCOCCC(=O)N1C[C@H](C)[C@@H](NC(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1072094744 WFHDNKAGEDKFAI-JHZZJYKESA-N 320.389 -0.118 30 20 DBED C#CCCN1CCC2(C1)CN(C(=O)CN1C(=O)CCC1=O)C2 1073415440 ZJYHVWCEDQDLSR-UHFFFAOYSA-N 303.362 -0.307 30 20 DBED C#CCOCCC(=O)N1CC(N2CCN(C(=O)CC)CC2)C1 1073518021 FNNPSQXYBTXJKY-UHFFFAOYSA-N 307.394 -0.209 30 20 DBED C=CCCC(=O)N1CC(N2CCN(C(=O)CC(=O)NC)CC2)C1 1073564579 DCAJASPCAOGONV-UHFFFAOYSA-N 322.409 -0.556 30 20 DBED C=CCOCCCC(=O)N1CC[C@H](NC(=O)C(N)=O)[C@H](C)C1 1074176753 ZTESDMWAJNPVNL-NEPJUHHUSA-N 311.382 -0.192 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2cccnc2N2CCCC2)C1 1077320714 RMNCLLNJOXAMGJ-ZIAGYGMSSA-N 315.377 -0.020 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2cncc(-n3ccnn3)c2)C1 1077449100 UHANYZDHAFEHOB-ZIAGYGMSSA-N 312.333 -0.930 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CN(C[C@@H]3CCOC3)C[C@H]2O)nn1 1077801598 YOECNSYEXWWASC-OUCADQQQSA-N 321.381 -0.725 30 20 DBED C#Cc1cncc(C(=O)NCC[C@H](C)NC(=O)CNC(C)=O)c1 1078287588 RHVQMEPFJRBUJD-NSHDSACASA-N 316.361 -0.176 30 20 DBED C=CCOCC(=O)N1CC(N(CC)C(=O)[C@@H](C)CC(N)=O)C1 1080216279 PFJQJTUBNBJANS-NSHDSACASA-N 311.382 -0.240 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2ncn(C)n2)C1 1081454812 FFKWJEMEQBFEKQ-NEPJUHHUSA-N 319.365 -0.832 30 20 DBED CC(=O)N(C)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C#CC(C)C)C1 1081464152 WIGNWSPRXDPZLE-UONOGXRCSA-N 323.393 -0.940 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CCCCN1C(=O)CS(C)(=O)=O 1081923960 IHRQXVHQNAIPRA-MNOVXSKESA-N 315.395 -0.312 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)c2ccn(C)c(=O)c2)C1 1083579185 YUFGJDYSYJSQTH-NEPJUHHUSA-N 311.769 -0.087 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)c2cn(C)nc2OC)C1 1083695128 KZQMPRIVFDIYLE-MNOVXSKESA-N 314.773 -0.044 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)Cn1cnnn1)N=c1cc[nH]cc1C#N 1089214585 IXAIWADVTSKGRB-WDEREUQCSA-N 314.353 -0.243 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2cn(CCOC)nc2C)[C@H](O)C1 1090259370 UDOHJVKPZJOBMI-HUUCEWRRSA-N 320.393 -0.364 30 20 DBED N#Cc1cnc(N2C[C@@H]3CCN(C(=O)CNC(N)=O)[C@@H]3C2)cn1 1090289405 YJYJAMWTWQVJMQ-GXSJLCMTSA-N 315.337 -0.946 30 20 DBED C=CCCN1CC[C@@H](NC(=O)C2CS(=O)(=O)C2)[C@H](O)C1 1090294187 YGLADPYTSUZQQN-VXGBXAGGSA-N 302.396 -0.842 30 20 DBED CC(C)(C)C(=O)C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1O 1090405536 PEMQLEIDCKCYNW-GHMZBOCLSA-N 317.349 -0.371 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2cnn3ccc(C)nc23)[C@H](O)C1 1090735271 WHQAXZFYNIEPAG-ZIAGYGMSSA-N 313.361 -0.164 30 20 DBED N#Cc1cncc(N2CCN(C(=O)C(=O)NCC(F)F)CC2)n1 1093185473 WORSZRPSJWVNKA-UHFFFAOYSA-N 324.291 -0.622 30 20 DBED Cc1cc(=NCCNC(=O)[C@H]2COCCN2C)c(C#N)c[nH]1 1093554611 LISXWEYNIXZMGU-CQSZACIVSA-N 303.366 -0.458 30 20 DBED C=CCCN1CC(n2cc(CNC(=O)[C@@H]3COC(=O)N3)nn2)C1 1094287154 DKBQJEZHXKIHTN-LBPRGKRZSA-N 320.353 -0.565 30 20 DBED Cn1cc(C(=O)NCCCNc2nccnc2C#N)n(C)c1=O 1094462712 CQRNOSYSDLYFIY-UHFFFAOYSA-N 315.337 -0.383 30 20 DBED CC#CCN1CCN(C(=O)c2ccc[nH]2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094606088 JWEFMNFZFFWXIW-UONOGXRCSA-N 321.402 -0.039 30 20 DBED N#Cc1nc(=NCCCNC(=O)c2coc(C(N)=O)c2)cc[nH]1 1094680858 LZSHRDPYQFLNDR-UHFFFAOYSA-N 314.305 -0.306 30 20 DBED COC1CC(C(=O)N[C@@H]2CC(=O)N(C3CN(CC#N)C3)C2)C1 1094749710 RGEFLDYQIQCFNJ-QWKFWESOSA-N 306.366 -0.664 30 20 DBED C[C@H](NC(N)=O)C(=O)N1CC[C@H](N(C)c2ccc(C#N)nn2)C1 1095113308 PFMRKVDEZRFDEI-ONGXEEELSA-N 317.353 -0.558 30 20 DBED N#Cc1cncc(N[C@H]2CCN(C(=O)C(=O)NCC3CC3)C2)n1 1096953576 HBLLEMJLIMFLBU-NSHDSACASA-N 314.349 -0.113 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CCS(=O)(=O)N1)Nc1ncccc1C#N 1097875623 VVDGQHCDKLUYNP-ONGXEEELSA-N 323.378 -0.438 30 20 DBED C[C@H](CNC(=O)[C@@H](C)S(C)(=O)=O)Nc1ccc(C#N)nn1 1098392606 HGPYCSFTXCSLGW-RKDXNWHRSA-N 311.367 -0.302 30 20 DBED N#CCNCc1cn([C@H]2CCN(C(=O)c3cnns3)C2)nn1 1098626686 ZBAMFRVWJMTXER-JTQLQIEISA-N 318.366 -0.170 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2cc[n+]([O-])cc2)[C@@H](O)C1 1099639586 MCCDMUMZXOUDMF-CABCVRRESA-N 319.361 -0.865 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)CCCS(N)(=O)=O)[C@H](O)C1 1099982135 YJTWHVREHHRNFM-VXGBXAGGSA-N 319.427 -0.817 30 20 DBED CN(CCNC(=O)CCc1nc[nH]n1)c1nccnc1C#N 1100017948 MHYQSKISXCKVDH-UHFFFAOYSA-N 300.326 -0.348 30 20 DBED C#CCN1CC[C@@H](NC(=O)CNC(=O)c2ccco2)[C@@H](O)C1 1100097039 QULGRROJTRJLIQ-NEPJUHHUSA-N 305.334 -0.806 30 20 DBED CN(CCNC(=O)C1CS(=O)(=O)C1)c1ccncc1C#N 1100165490 UBDSBWQKTBHPDM-UHFFFAOYSA-N 308.363 -0.450 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)c2cnnc(C)c2)C1 1100271535 DESYVWVQJSDWIU-UHFFFAOYSA-N 315.377 -0.368 30 20 DBED CCN(CCNC(=O)COCCN(C)C)c1ccc(C#N)nn1 1100569600 IQLQDYRXTWMSMT-UHFFFAOYSA-N 320.397 -0.131 30 20 DBED CN(CCNc1cnc(C#N)cn1)C(=O)c1c[nH]c(C(N)=O)c1 1101621356 PCWVCZVMTUAUSM-UHFFFAOYSA-N 313.321 -0.041 30 20 DBED C#CCN1C[C@@H](C)[C@H](CNC(=O)[C@H](C)NS(C)(=O)=O)C1 1102402294 YMGBZCZENLTNJQ-GRYCIOLGSA-N 301.412 -0.759 30 20 DBED CN(C(=O)CNC(N)=O)[C@@H]1CCN(c2nccnc2C#N)C1 1102668846 VIFMMPCEHXBXBE-SECBINFHSA-N 303.326 -0.946 30 20 DBED CN(C(=O)C1(C(N)=O)CC1)[C@@H]1CCN(c2nccnc2C#N)C1 1102755599 CHJAWZOLHVUJFJ-SNVBAGLBSA-N 314.349 -0.349 30 20 DBED CNC(=O)NCCC(=O)NC[C@H](C)CN=c1cc[nH]c(C#N)n1 1103928673 CDYMWBXNWABBCD-SNVBAGLBSA-N 319.369 -0.747 30 20 DBED C#CCN[C@@H]1C[C@]2(C[C@H]1O)CN(C(=O)CNC(C)=O)[C@@H]2C(C)C 1105588686 ZMMMDWVBHNDVAN-SRABZTEZSA-N 321.421 -0.278 30 20 DBED Cc1cc(C#N)nc(NC[C@H](O)CNC(=O)C2=COCCO2)n1 1105715606 YDEAVFSSTQLYOQ-LLVKDONJSA-N 319.321 -0.566 30 20 DBED Cc1cc(C(=O)NC[C@@H](O)CNc2cncc(C#N)n2)n(C)n1 1105732924 CRTOWADZVQXSBC-NSHDSACASA-N 315.337 -0.407 30 20 DBED Cn1cc(CC(=O)NC[C@H](O)CNc2cncc(C#N)n2)cn1 1105783398 YYRTUQHGONETCE-GFCCVEGCSA-N 315.337 -0.787 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)c2ccon2)C[C@H]1C 1105874486 KYGKCJLBTZVSLE-VXGBXAGGSA-N 304.350 -0.278 30 20 DBED COc1c(O)nc(O)nc1C(=O)N1C[C@@H](C)[C@H](CNCC#N)C1 1106872317 ONYJBPOJSXWECY-RKDXNWHRSA-N 321.337 -0.282 30 20 DBED C=CCO[C@H](C)C(=O)NCc1cn(C2CN(CC#N)C2)nn1 1107240859 HNDZUFXJSZVZSU-LLVKDONJSA-N 304.354 -0.134 30 20 DBED CCn1cc(C(=O)NC/C=C/CN=c2cc[nH]c(C#N)n2)nn1 1107308246 ORCGKRIJESOHSJ-ONEGZZNKSA-N 312.337 -0.220 30 20 DBED CN1CC[C@H](C(=O)NC/C=C\CN=c2cc[nH]c(C#N)n2)C1=O 1107458926 BAQSHHDFIVOTGU-OTDNITJGSA-N 314.349 -0.667 30 20 DBED CCS(=O)(=O)CC(=O)N[C@H](C)CN=c1cc[nH]c(C#N)n1 1107792443 ZEEGJOYRSLKZGG-SECBINFHSA-N 311.367 -0.879 30 20 DBED C[C@@]1(CNC(=O)[C@@H]2CCCN(C(N)=O)C2)CN(CC#N)CCO1 1108057340 GTGARXIICRIJJY-IUODEOHRSA-N 323.397 -0.492 30 20 DBED CCn1ncc(C(=O)N[C@@H](C)CN=c2cc[nH]c(C#N)n2)n1 1108349166 XZHHIPWFYMMRGW-VIFPVBQESA-N 300.326 -0.388 30 20 DBED COCC(=O)NCCC(=O)N1C[C@H]2C[C@@H](NCC#N)C[C@H]1C2 1108699857 OAJYRBJCUPDWSU-YNEHKIRRSA-N 308.382 -0.368 30 20 DBED C#CCCN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN1CCOCC1=O)C2 1108704454 MDELHINJJGZYOL-ZNMIVQPWSA-N 319.405 -0.162 30 20 DBED COCC(=O)N(C)CC(=O)N[C@@H](C)CNc1ccc(C#N)cn1 1108745426 FEWYRUBAAYWGOJ-NSHDSACASA-N 319.365 -0.025 30 20 DBED C=CCN(CC=C)C(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C(N)=O 1109658007 NNZZDLYWTVPJPY-AGIUHOORSA-N 320.393 -0.606 30 20 DBED N#Cc1nccnc1NC1(CNC(=O)[C@H]2C[C@H]2C(N)=O)CC1 1110347172 HRESZGDTJKMDSI-BDAKNGLRSA-N 300.322 -0.470 30 20 DBED N#Cc1ccc(N2CC[C@](O)(CNC(=O)c3cc[nH]n3)C2)nn1 1111031118 BSAIVEDRVDZFBZ-AWEZNQCLSA-N 313.321 -0.557 30 20 DBED COCC(=O)N(C)[C@H]1CN(c2snc(C)c2C#N)C[C@@H]1O 1111169026 ZEIMMBKLPVKJAI-QWRGUYRKSA-N 310.379 -0.023 30 20 DBED CCOCC(=O)N[C@@]1(CO)CCCN(c2cncc(C#N)n2)C1 1111326216 IJXXBLLZJOIVLF-HNNXBMFYSA-N 319.365 -0.168 30 20 DBED COC[C@@H](C)C(=O)NC[C@H]1COCCN1c1cncc(C#N)n1 1111666381 ZXADNBFIURFGHH-YPMHNXCESA-N 319.365 -0.048 30 20 DBED COC(=O)NCC(=O)N1C[C@H](C)[C@H](Nc2cncc(C#N)n2)C1 1112297659 FQFICXKDSXQYSV-GXSJLCMTSA-N 318.337 -0.037 30 20 DBED CNC(=O)CC(=O)NC[C@H]1CN(c2ccc(C#N)cn2)C[C@H]1O 1112710100 SSBSWSSTWWBCLS-NWDGAFQWSA-N 317.349 -0.997 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)c2n[nH]cc2C)CC1 1112827856 ABJLRSXBAWFIJO-LBPRGKRZSA-N 303.366 -0.386 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)C[C@H]2CCC(=O)N2)CC1 1113421952 IDNFVCSEBXWPEN-GFCCVEGCSA-N 308.382 -0.899 30 20 DBED C=CCCO[C@H](C)C(=O)NC1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]12 1113996759 ZOQGSAFYVFOFEN-JHJVBQTASA-N 320.393 -0.346 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)CCCCOC)[C@H]2C1 1114014040 HHPSWKRZHIMPLV-IHRRRGAJSA-N 321.421 -0.013 30 20 DBED C#CCO[C@H](C)C(=O)NC1[C@H]2CN(Cc3nncn3C)C[C@H]12 1114270424 FEBPWPCMZLKENE-WOPDTQHZSA-N 303.366 -0.600 30 20 DBED COCC(C)(C)C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1114568487 QKPZHPCFVZWSET-PJXYFTJBSA-N 308.382 -0.655 30 20 DBED COCCC(=O)N1CCO[C@H]([C@@H](C)N=c2cc[nH]c(C#N)n2)C1 1114628042 HQZXZPPAWZNLOT-NEPJUHHUSA-N 319.365 -0.166 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)c3cn(C)nc3OC)[C@@H]2C1 1114662946 PWEHNBXAWOGHBN-VXGBXAGGSA-N 318.377 -0.262 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)CCCCN(C)C)[C@H]2C1 1115144375 VZEAEJQFGIQSKW-KBPBESRZSA-N 320.437 -0.486 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3[nH]cnc3CC)[C@H]2C1 1115183895 BXCBSWJOZDXUCS-YABSGUDNSA-N 315.377 -0.619 30 20 DBED C#CCNC1(CNC(=O)CN2CCC(=O)NC2=O)CCCCC1 1115807054 KVEZPLJYUVLQJZ-UHFFFAOYSA-N 320.393 -0.030 30 20 DBED CCS(=O)(=O)C[C@H](C)N(C)C(=O)NCC(=O)NCC#N 1117430339 FSMBWOFMWZIYCN-VIFPVBQESA-N 304.372 -0.909 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)NCCOC1CCC1 1117441904 CFBNFQQEALVYKB-UHFFFAOYSA-N 318.395 -0.611 30 20 DBED C=C(C)COCCNC(=O)C(=O)NCC(C)(C)S(C)(=O)=O 1117570594 DXKZUDZSVMDCOV-UHFFFAOYSA-N 320.411 -0.365 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H](CC)CNS(C)(=O)=O 1119628672 QYFCVKUSCCQMPK-NEPJUHHUSA-N 301.412 -0.472 30 20 DBED C#CCNC(=O)C1CCN(C(=O)C(=O)N[C@@H]2COC[C@@H]2C)CC1 1119838967 XZDLXKLURKRROD-WCQYABFASA-N 321.377 -0.875 30 20 DBED CC#CCN(C)c1nnnn1CCCN(C)S(C)(=O)=O 1120301931 VYPGUYANGYZCPO-UHFFFAOYSA-N 300.388 -0.586 30 20 DBED CCc1cc(C(=O)NC[C@@H](CO)Nc2ccc(C#N)nn2)n[nH]1 1121135241 BJZIAZHRPFMRCW-NSHDSACASA-N 315.337 -0.163 30 20 DBED CO[C@@H](C(=O)NC[C@@H](CO)Nc1cnc(C#N)cn1)C1CC1 1121504853 ITVWBXPURCDPKK-WCQYABFASA-N 305.338 -0.338 30 20 DBED CO[C@H](C(=O)NC[C@@H](CO)Nc1ccc(C#N)nn1)C1CC1 1121506842 YWGWEEYKJGFUJN-AAEUAGOBSA-N 305.338 -0.338 30 20 DBED COC[C@H](C)C(=O)N(C)C[C@@H](O)CNc1ccc(C#N)nn1 1124196011 FPDWBXCDQISQNB-JQWIXIFHSA-N 307.354 -0.138 30 20 DBED C=CCCO[C@@H](C)C(=O)NCCNCC(=O)NCCOCC 1124482481 DAJNPTZRUQMPNN-ZDUSSCGKSA-N 315.414 -0.174 30 20 DBED C=CCOCC(=O)N(C)C[C@H](O)CN(C)c1nccnc1C#N 1124988544 KTKZGUZIXPDOSL-LBPRGKRZSA-N 319.365 -0.194 30 20 DBED C=CCNC(=O)CNCc1nnc2n1CC[C@H](NC(C)=O)CC2 1127919341 YDGUZYFYMFZHFY-GFCCVEGCSA-N 320.397 -0.489 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCNCC(=O)NCC1CCC1 1129775305 LYLYABBOOCAPIV-HNNXBMFYSA-N 320.437 -0.294 30 20 DBED CC#CCN1C[C@H]2C[C@H]3CN(C(=O)[C@H](C)CC(N)=O)C[C@@]3(C1)O2 1131252768 ZHLUMUHGGVWYGH-UMPJEAMMSA-N 319.405 -0.177 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)[C@H](C)CCOC)CC1 1131394985 NXEOEIPJWUKNOI-CQSZACIVSA-N 309.410 -0.057 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)Cc2cnc[nH]2)CC[C@@H]1C 1132322652 URWHCNBZOINURC-STQMWFEESA-N 317.393 -0.329 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)c2cnn(C)n2)CC[C@@H]1C 1132342515 BADXPWWMQYJPFU-RYUDHWBXSA-N 320.397 -0.300 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)c1cnn(C)c1 1133672071 ULGPZDCZRUYCCY-VXGBXAGGSA-N 305.382 -0.344 30 20 DBED C[C@H](C[C@@H](C)NC(=O)CCc1ncc[nH]1)NCC(=O)NCC#N 1134235211 NFQWXVGIEHHKDH-VXGBXAGGSA-N 320.397 -0.145 30 20 DBED C=C(C)CN[C@@H](C)C[C@H](C)NC(=O)Cn1cnc(C(N)=O)n1 1134401781 WNEKYCLMWDNBAP-QWRGUYRKSA-N 308.386 -0.174 30 20 DBED C=CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)C1(C(N)=O)CC1 1135348610 IERQUQJRKMIRDK-QWRGUYRKSA-N 310.398 -0.573 30 20 DBED C[C@@H](C[C@H](C)NC(=O)Cc1ncc[nH]1)NCC(=O)NCC#N 1135775438 ZNIUHDLCIZYMMH-QWRGUYRKSA-N 306.370 -0.535 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)Cc1cncn1C 1135943820 AMSKZGZELPKDCS-QWHCGFSZSA-N 319.409 -0.415 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)[C@@H]1C[C@H](C)CO1)C2 1147920184 IJLPJTMWZMRXPV-KBPBESRZSA-N 319.405 -0.305 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)CCCCC(=O)NC 1153065019 CSWNETHVIAWVNT-GFCCVEGCSA-N 310.398 -0.864 30 20 DBED CCOCCNC(=O)CNCCCNC(=O)c1c[nH]c(C#N)c1 1156841581 OSFBAMDJTVXDFV-UHFFFAOYSA-N 321.381 -0.251 30 20 DBED C#CCNC(=O)CC(=O)NCCCNCc1ccn(CC)n1 1156847747 GOWUKBGUTRAISC-UHFFFAOYSA-N 305.382 -0.362 30 20 DBED C#CCNC(=O)CC(=O)NCCCN[C@@H]1CCN(CC=C)C1=O 1156848320 XUYBFZDOKQLGFV-CYBMUJFWSA-N 320.393 -0.991 30 20 DBED C#CCNC(=O)CC(=O)NCCCNC[C@@H]1C[C@@]12CCOC2 1156853083 XRXXCZQENNWPOI-XJKSGUPXSA-N 307.394 -0.352 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)Cc1nnc(C)o1 1157493137 ATXPXCIODYPVQM-SNVBAGLBSA-N 307.354 -0.846 30 20 DBED C#CCN1CCC(CNC(=O)c2c[nH]c(=O)cn2)(COC)CC1 1162435248 YACHKKPFVHOKLI-UHFFFAOYSA-N 318.377 -0.139 30 20 DBED COCC#CCNCCCNC(=O)[C@H](OC)c1cnn(C)c1 1163349764 BZHKQBXXTUZBKJ-CQSZACIVSA-N 308.382 -0.147 30 20 DBED C=CCNC(=O)CNCCCNC(=O)CCc1cnccn1 1170258893 OFCTUBFRPMWIKO-UHFFFAOYSA-N 305.382 -0.193 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)c1ncccc1OC 1174594851 WKKVEOXDHUUMLP-GFCCVEGCSA-N 318.377 -0.062 30 20 DBED CC#CCN1CCO[C@H]2CCN(C(=O)CC(=O)NCC)C[C@H]21 1176996045 ZXMBOWJCLCRUEB-KGLIPLIRSA-N 307.394 -0.162 30 20 DBED COCC#CCN[C@H]1CCN(C(=O)[C@@H]2CCN(C)C2=O)[C@H]1C 1179365244 WYACDDJVYJQZIG-MJBXVCDLSA-N 307.394 -0.307 30 20 DBED COCC#CCNCCCCCCNC(=O)CCNC(N)=O 1180227693 LMUXWVTZOOPIDO-UHFFFAOYSA-N 312.414 -0.039 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2[nH]cnc2C)[C@H]1C 1180309963 NGLRCLOOCDTQHW-RYUDHWBXSA-N 303.366 -0.340 30 20 DBED C#CCNC(=O)CNC[C@]1(C)CN(C(=O)c2ncc[nH]2)C[C@H]1C 1181396148 YFVGZGXUIIVFDP-MLGOLLRUSA-N 317.393 -0.153 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)c2c(C)nnn2CC)C1 1183213275 DAUJTJWEIQHDNP-GFCCVEGCSA-N 320.397 -0.287 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 1183576080 BMTWGNDELCZCDF-RBSFLKMASA-N 309.410 -0.454 30 20 DBED C=CCOCC(=O)N1CC[C@@H](CNCc2nnnn2C)[C@H](C)C1 1184087171 AFCCHFDDOWAYSD-OLZOCXBDSA-N 322.413 -0.013 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)Cc2ccc(O)nc2)C1 1184361396 KGVXUXFCPQJSST-CYBMUJFWSA-N 318.377 -0.178 30 20 DBED C[C@H]1CN(C(=O)CCN(C)C)CC[C@H]1CNCC(=O)NCC#N 1185071782 BQBSVHOFZYKNGI-KBPBESRZSA-N 323.441 -0.348 30 20 DBED C#CCNC[C@H]1CCN(C(=O)CN2C(=O)CN(C)C2=O)C[C@H]1C 1185642911 VPINPCAPKUBVFB-CHWSQXEVSA-N 320.393 -0.412 30 20 DBED CN(CC(=O)NCC#N)[C@@H]1CCN(C(=O)c2cc[n+]([O-])cc2)C1 1188727520 WZQPPXDRESAEEF-CYBMUJFWSA-N 317.349 -0.894 30 20 DBED CN(CC(=O)NCC#N)[C@@H]1CCN(C(=O)[C@@H]2CCCCO2)C1 1189653742 YHDWQDAAXZFKES-OLZOCXBDSA-N 308.382 -0.272 30 20 DBED COc1cc(C(=O)N2CC[C@@H](N(C)CC(=O)NCC#N)C2)on1 1189735229 MHBNOIDQCICNJY-SNVBAGLBSA-N 321.337 -0.531 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)[C@H](C)CC(N)=O)C1 1191735011 JJMFXQUPUATXKG-NEPJUHHUSA-N 310.398 -0.667 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2cnc(C)o2)C[C@H]1O 1192892178 URTCHLLQVKLIGS-ZIAGYGMSSA-N 307.350 -0.316 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCCN(C(=O)[C@H]2CCCN2C)CC1 1195267448 JYMKQRHUTYBHOT-HUUCEWRRSA-N 320.437 -0.247 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)C(=O)Nc2cc(C)on2)C1 1198644903 ITLYSPZRBNOWSW-GHMZBOCLSA-N 308.338 -0.341 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)CN(C)C(=O)c2ccsc2)C1 1198827416 XTJUWESVKZILCD-CHWSQXEVSA-N 321.402 -0.385 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2ncnn2CC)C[C@H]1O 1199312317 DPLDWPWUJWYXJK-YNEHKIRRSA-N 323.397 -0.450 30 20 DBED C#CCCCC(=O)N1CCC(N[C@H](C)C(=O)NC(N)=O)CC1 1200317010 HIIHVFWDEFZNRZ-LLVKDONJSA-N 308.382 -0.046 30 20 DBED C#CCNC[C@@H]1CN(C(=O)C[C@@H]2CCN(C)C2=O)CCCO1 1200777905 MZZGYFKKMMQHTC-UONOGXRCSA-N 307.394 -0.305 30 20 DBED C#CCNC[C@H]1CN(C(=O)c2coc(C(N)=O)c2)CCCO1 1201062010 FMZSYHPNSZLAOC-LBPRGKRZSA-N 305.334 -0.168 30 20 DBED CC(C)(C)C(=O)NCC(=O)N1CCCO[C@H](CNCC#N)C1 1202048803 GQRBPVBQEAIINE-GFCCVEGCSA-N 310.398 -0.121 30 20 DBED C=CCCOCC(=O)N1CCCO[C@@H](CNCC(=O)NC)C1 1202190393 CEIATSMXJCHQBJ-ZDUSSCGKSA-N 313.398 -0.468 30 20 DBED C#CCNC[C@@H]1CN(C(=O)c2cc(C(N)=O)ccn2)CCCO1 1202250544 KSSIEKUMUJTJDZ-CYBMUJFWSA-N 316.361 -0.366 30 20 DBED CC[C@H](NC(C)=O)C(=O)N1CCC(NCC(=O)NCC#N)CC1 1202613693 RFKOKQGYPUHEBZ-ZDUSSCGKSA-N 323.397 -0.879 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CNCCNS(C)(=O)=O)CC1 1204811277 HFRHJHMSHIQNNC-NSHDSACASA-N 316.427 -0.477 30 20 DBED COCC#CCNCC1CCN(C(=O)[C@H]2CC[C@H]2C(N)=O)CC1 1205879254 RZMCRNQIBMYPFJ-CABCVRRESA-N 321.421 -0.024 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCCN(C(=O)c2ccncn2)C1 1210208845 WAGQCMQRWSBXLO-OLZOCXBDSA-N 315.377 -0.191 30 20 DBED CO[C@@H]1CN(Cc2n[nH]c(C)n2)C[C@H]1NC(=O)CSCC#N 1211886178 DQOQHRVWUQDMQS-GHMZBOCLSA-N 324.410 -0.315 30 20 DBED COCC#CCN1C[C@@H](NC(=O)c2cn(C)cn2)[C@H](OC)C1 1212117664 WLNFOQWRNHONIW-TZMCWYRMSA-N 306.366 -0.501 30 20 DBED C#CCOCCC(=O)N1C[C@@H](NCc2nc(O)n[nH]2)[C@H](C)C1 1214609021 VOQMPVRPDDZBJT-GHMZBOCLSA-N 307.354 -0.513 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)c2ncccn2)C[C@H]1C 1216020598 YIWDXWORFBVINL-VXGBXAGGSA-N 303.366 -0.171 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2n[nH]c(C)c2C)C1 1219394777 UJRPCICLCWGNCO-NEPJUHHUSA-N 321.381 -0.896 30 20 DBED C=CCCCN1C[C@H](O)[C@H](NC(=O)c2cn(CCOC)nn2)C1 1219602827 HGHMFTYQBUWPFV-OCCSQVGLSA-N 323.397 -0.334 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)c2ccnc(OC)c2)C1 1219926429 SGBDISBRSIPWEF-KGLIPLIRSA-N 319.361 -0.485 30 20 DBED C[C@H](CC(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@@H]1O)C(C)(C)C 1220850125 BZFQTUWIDVPQGJ-UPJWGTAASA-N 324.425 -0.140 30 20 DBED N#CCNC(=O)CN1CC[C@@H]2CN(C(=O)[C@H]3CC3(F)F)[C@@H]2C1 1221526745 YVJPVWOLTAADCQ-GMTAPVOTSA-N 312.320 -0.186 30 20 DBED CC#CCN1CCC(CNC(=O)CCn2ncn(C)c2=O)CC1 1223938444 YJEGFRDTGSFSKB-UHFFFAOYSA-N 319.409 -0.177 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cnccn1 1224556685 XAJMLABAIBBHBV-CHWSQXEVSA-N 315.377 -0.143 30 20 DBED COCC#CCN1CCC(CNC(=O)CCn2cnnn2)CC1 1224946188 CLVSKMPSZAPZON-UHFFFAOYSA-N 320.397 -0.459 30 20 DBED C#CCO[C@@H](C)C(=O)NC1CCN(Cc2nnnn2C)CC1 1227299664 XASWKKOLKIUBEP-NSHDSACASA-N 306.370 -0.671 30 20 DBED C[C@H](C#N)C(=O)N(C)C[C@H]1CCN1CCN(C)S(C)(=O)=O 1231294628 ZHJFBZCLJXFFET-VXGBXAGGSA-N 316.427 -0.430 30 20 DBED O=C1CNC(=O)N1CCC/N=C1/NS(=O)(=O)c2ccccc21 1251713028 DBNGFENCYDAUCL-UHFFFAOYSA-N 322.346 -0.333 30 20 DBED CC[C@@H](C)n1nc(NC(=O)C(=O)NCC(=O)NCC#N)cc1C 1261093850 UYYCUXBIOYELLQ-SECBINFHSA-N 320.353 -0.143 30 20 DBED C=CCNC(=O)Cn1nnnc1N1C[C@@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1 1262409787 KBVIYQRQDLCIRZ-NNYUYHANSA-N 302.338 -0.635 30 20 DBED C=CCNC(=O)CNC(=O)NCCN1CCC2(C1)OCCO2 1263749106 RDCHDRRWVKVAPF-UHFFFAOYSA-N 312.370 -0.963 30 20 DBED COCCN(CC(=O)NCCC#N)[C@H]1CCS(=O)(=O)C1 1319554252 QSEVVIRFNZPVRO-NSHDSACASA-N 303.384 -0.848 30 20 DBED C=CCS(=O)(=O)CCNC(=O)NC[C@H]1CN(C)CCN1C 1320131853 LGGRWKZIKPVMIB-LBPRGKRZSA-N 318.443 -0.868 30 20 DBED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccn(C)n2)CC1 1321273420 JCWVOTOKNRYTID-UHFFFAOYSA-N 317.349 -0.653 30 20 DBED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1ccn(CC(F)F)n1 1321661865 JBHMNLZNDNANOY-SECBINFHSA-N 314.292 -0.023 30 20 DBED C=CCCC[C@@H](C)NC(=O)C(=O)N(C)CCNS(C)(=O)=O 1323549196 ZRKLWONQZXESGB-LLVKDONJSA-N 319.427 -0.145 30 20 DBED COCC1(CNC(=O)C(=O)N2CC[C@](O)(CC#N)C2)CCC1 1326110024 FAWAYJGCHPSNSH-OAHLLOKOSA-N 309.366 -0.204 30 20 DBED C=CCS(=O)(=O)CCN1C(=O)[C@@H]2[C@@H](O)CCCN2C1=O 1326376429 WGYCOGMTJGXSJE-UWVGGRQHSA-N 302.352 -0.625 30 20 DBED C[C@]1(C#N)CCCN(C(=O)C(=O)NCCS(C)(=O)=O)C1 1327769212 KBGCAOWOQIGQEU-GFCCVEGCSA-N 301.368 -0.701 30 20 DBED CCN(CCS(C)(=O)=O)C(=O)C(=O)Nc1ccc(C#N)cn1 1327834427 NGFNGPTUJMKIJW-UHFFFAOYSA-N 324.362 -0.215 30 20 DBED CN(C(=O)C(=O)NC1CCN(CC#N)CC1)[C@@H]1CCCC[C@H]1O 1330606306 OYAGABZSINATLO-ZIAGYGMSSA-N 322.409 -0.148 30 20 DBED CCN1CCCN(C(=O)C(=O)N2CCC[C@@H](C#N)C2)CC1=O 1335010074 WJWLPIGCJVFGJM-LBPRGKRZSA-N 306.366 -0.171 30 20 DBED C#CCSCCn1nnnc1N1CC(S(=O)(=O)CC)C1 1343921672 MEXQMZDOCZOJDO-UHFFFAOYSA-N 315.424 -0.337 30 20 DBED CC#CC[C@@H](CO)NC(=O)C(=O)Nc1cnc2c(c1)COCC2 1349155227 FBPSURMFOVLABF-LBPRGKRZSA-N 317.345 -0.017 30 20 DBED C#Cc1ccc(NC(=O)C(=O)NCC(=O)N2CCOCC2)cc1 1354213994 QVOJKQWYOMHWHU-UHFFFAOYSA-N 315.329 -0.419 30 20 DBED CS(=O)(=O)N1CC(CNC(=O)NCC2(C#N)CCC2)C1 1369571203 USYBXTRMBIIKLP-UHFFFAOYSA-N 300.384 -0.129 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]1CN(C)C(=O)CCn1cnnn1 1371636256 YAUBXHWJUAUPSC-MNOVXSKESA-N 305.342 -0.718 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CN(C)C(=O)CCc1nccn1C 1384244145 KPZCJYSDOBSFOV-RYUDHWBXSA-N 321.381 -0.552 30 20 DBED CNC(=O)NCC(=O)N(C)C[C@@H](C)NC(=O)c1ccc(C#N)[nH]1 1395600007 VLZIATBGCXQVHL-SECBINFHSA-N 320.353 -0.608 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](C)NC(=O)c1cccc(C(N)=O)n1 1410235290 FKCVRIUSHGTIBK-DTWKUNHWSA-N 303.322 -0.425 30 20 DBED C[C@@H](C#N)C(=O)NC1CN(C(=O)[C@H]2CCCc3nn[nH]c32)C1 1416047204 PTGAZZLDUGONOT-WPRPVWTQSA-N 302.338 -0.289 30 20 DBED CC(=O)N1CC(C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H](C)C#N)C2)C1 1429074663 HJSKMDCHUMBJAI-XHVZSJERSA-N 306.366 -0.365 30 20 DBED CC(=O)O[C@@H]1CCCN(C(=O)Cn2cc(C#N)c(O)nc2=O)C1 1434430238 NTAZKCJQLDLSFJ-LLVKDONJSA-N 320.305 -0.625 30 20 DBED C[C@H](CNC(=O)c1cc2n(n1)CCO2)CNC(=O)[C@H](C)C#N 1451614700 XVXWEZZMWBBCBL-VHSXEESVSA-N 305.338 -0.083 30 20 DBED CC(=O)NCC(=O)N1C[C@H](NC(=O)c2c[nH]c(C#N)c2)C[C@@H]1C 1451639463 KPVPCCSYFYWWQP-TVQRCGJNSA-N 317.349 -0.258 30 20 DBED CCN(CCC#N)C(=O)CN[C@@H](C)CNC(=O)c1cn[nH]c1 1480427288 NOPJFALMRKIKQD-NSHDSACASA-N 306.370 -0.120 30 20 DBED C[C@H](C#N)C(=O)NCC1CN(C(=O)C[C@@H]2CCCC(=O)N2)C1 1530881293 WVNLNKGXLAQLHU-PWSUYJOCSA-N 306.366 -0.221 30 20 DBED CC[C@@H](C(=O)NC[C@H]1CCN(CC(=O)NCC#N)C1)N(C)C 1567416026 SZMAWGBKIHPQKR-OLZOCXBDSA-N 309.414 -0.596 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](CNCC(=O)NCc2cnn[nH]2)C1 1575176057 DJQTVOKAWZNBFO-GHMZBOCLSA-N 319.369 -0.981 30 20 DBED CCN(C[C@H](C)C#N)C(=O)CN1CCN(C(=O)C(=O)O)CC1 1589720049 KXDJJWXLUSUXKR-LLVKDONJSA-N 310.354 -0.777 30 20 DBED Cc1cc(C#N)c(O)nc1C(=O)NCCOCCOCC(=O)O 1594274171 URVJXKTXHRPBGO-UHFFFAOYSA-N 323.305 -0.185 30 20 DBED Cc1cc(C=NNC2=NC(=O)C(=O)N2)cc(C)c1OCC(=O)O 1600185291 LILVXDXDHADTIY-UHFFFAOYSA-N 318.289 -0.297 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)NC[C@H]1CCN(C)C(=O)C1 1646022774 KQJOMTHBDRXAMU-QWRGUYRKSA-N 302.400 -0.077 30 20 DBED COCC#CCN1CC[C@H](NC(=O)C[C@H]2CCCC(=O)N2)C1 1690097748 SCFNOOOIZOPCRQ-KGLIPLIRSA-N 307.394 -0.115 30 20 DBED C#CCN(CCCNC(=O)CC[C@@H]1NC(=O)NC1=O)C1CC1 1752284496 HSTRFDBEMNQZCL-LBPRGKRZSA-N 306.366 -0.422 30 20 DBED C=CCN1CC[C@H](N[C@H](CNC(=O)CC(N)=O)C2CC2)C1=O 1752448566 GVUMUPCIJOLXNW-NWDGAFQWSA-N 308.382 -0.867 30 20 DBED C=CCNC(=O)CN[C@H]1C[C@H](NC(=O)c2snnc2C)C1 1752611967 DKWYAVFBQOURMA-MGCOHNPYSA-N 309.395 -0.001 30 20 DBED C#CCN1CCC[C@@H](CNC(=O)CCS(=O)(=O)NC)C1 1752783722 NPOANYPGZZXVCE-LBPRGKRZSA-N 301.412 -0.613 30 20 DBED N#CCNC(=O)CN1CC(NC(=O)c2nccc3occc23)C1 1753382311 OMRWZPYCBQNXCJ-UHFFFAOYSA-N 313.317 -0.118 30 20 DBED CN1CCN(CC(=O)N2CCC(CCNCC#N)CC2)CC1=O 1753570806 PCJLSISRJAICNH-UHFFFAOYSA-N 321.425 -0.498 30 20 DBED CCc1cc(C(=O)NC[C@@H](O)CNCC#CCOC)n(C)n1 1753932804 WXRABOWYWAGEAJ-ZDUSSCGKSA-N 308.382 -0.687 30 20 DBED C=CCNC(=O)CNC[C@@H](C)NC(=O)[C@@H]1CCCCN(C)C1=O 1754249867 XNWUBADSLKGRSA-OLZOCXBDSA-N 324.425 -0.359 30 20 DBED Cn1ccc(C(=O)N2CCC[C@H]2CNCC(=O)NCC#N)c1 1754607623 GVKUUHLJHGLYPD-ZDUSSCGKSA-N 303.366 -0.141 30 20 DBED N#CCNC(=O)CN1CC(O)(CNC(=O)c2ccccc2F)C1 1754764035 NHINXVPAQCSZJX-UHFFFAOYSA-N 320.324 -0.758 30 20 DBED C=CCNC[C@H]1CN(C(=O)C[C@H]2CCS(=O)(=O)C2)CCO1 1755004841 KGHNJKWLSYCFJY-OLZOCXBDSA-N 316.423 -0.186 30 20 DBED COCCOC[C@@H](O)CN1CC([C@H](C)NC(=O)C#CC2CC2)C1 1755375034 VLOQLQREXOMETH-BBRMVZONSA-N 324.421 -0.140 30 20 DBED C[C@@H](NC(=O)COC(C)(C)C)C1CN(CC(=O)NCC#N)C1 1755375194 VMIYWELNKBUKMT-LLVKDONJSA-N 310.398 -0.122 30 20 DBED CCNC(=O)CC(=O)N[C@H]1CN(CC#CCOC)CC1(C)C 1755408471 WBGHIPSSDVLFEA-ZDUSSCGKSA-N 309.410 -0.011 30 20 DBED C=CCCN1C[C@@H]2C(CNC(=O)CN3C(=O)CNC3=O)[C@H]2C1 1755435352 FECFEKPGIHTKEP-VXGBXAGGSA-N 306.366 -0.592 30 20 DBED C#CCNC[C@H]1C[C@H](NC(=O)Cc2ccc(C(N)=O)nc2)C1 1755472978 DLTRLJXIPBNEIL-JOCQHMNTSA-N 300.362 -0.159 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@H]1C[C@H](NC(=O)c2nonc2C)C1 1755484592 VOCAGHNRVLZJNZ-SRVKXCTJSA-N 319.365 -0.386 30 20 DBED O=C(C#CC1CC1)NC[C@H](CO)NCc1nc(C2CC2)no1 1755627883 MDVFBPAWCZTDAO-GFCCVEGCSA-N 304.350 -0.073 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2cncnc2O)[C@@H]1C 1755655737 ASDBLFGLPACZRK-PWSUYJOCSA-N 317.349 -0.876 30 20 DBED C#CCOCCC(=O)N(C)C1CC(NCC(=O)NC2CC2)C1 1755856732 KGGBIAOZCPWTBL-UHFFFAOYSA-N 307.394 -0.116 30 20 DBED C=CCCC(=O)NC[C@@H](CO)NC(=O)c1cc2ncccn2n1 1756508697 ZYZUKZJKZVIFNT-NSHDSACASA-N 317.349 -0.098 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCN(C)C(=O)C2)C1 1757019836 UEJYJORQLLRGEB-JHJVBQTASA-N 323.393 -0.491 30 20 DBED C=CCCOCC(=O)N[C@@H]1C[C@H]2CC[C@H]1N(C(=O)CC(N)=O)C2 1757047288 SYDLEMGRVVACAW-JHJVBQTASA-N 323.393 -0.050 30 20 DBED C=CCOCC(=O)N[C@H]1C[C@@H](CNC(=O)[C@H]2CCN(C)C2=O)C1 1757327915 LDIPVCYIPJOGEK-FRRDWIJNSA-N 323.393 -0.322 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@H](NC(=O)c2cnnn2C)[C@H]1C 1757508579 CGMQIWRCUZDUEG-UTUOFQBUSA-N 319.365 -0.427 30 20 DBED C=C1CC(C(=O)N2CCCC23CN(C(=O)CNC(=N)N)C3)C1 1841018249 LPFYLCAMHIUXRX-UHFFFAOYSA-N 305.382 -0.361 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC3(CCCN3C(=O)C(O)O)C2)c1 1841235919 KFDJNCGAQROPTE-UHFFFAOYSA-N 304.306 -0.986 30 20 DBED O=C1CC[C@@H](C(=O)N2CC3(CCCN3C(=O)C#CC3CC3)C2)N1 1841540758 SUBCWRGTBORRRF-ZDUSSCGKSA-N 315.373 -0.118 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)c2ncon2)C1 1844591770 FVNAVQZCAPKFDK-NSHDSACASA-N 318.333 -0.075 30 20 DBED C[C@@H](C(=O)NC(=O)NCC(F)(F)F)N1CCO[C@H](C#N)C1 107307161 ZJAQIAFHVQAOHC-JGVFFNPUSA-N 308.260 -0.013 30 20 DBED N#Cc1c(F)cccc1S(=O)(=O)N[C@@H](CC(=O)O)C(=O)O 166511807 CQCGLZYRDRGDFC-QMMMGPOBSA-N 316.266 -0.096 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](CN)CCCC)C1=O 262588466 BBTHXALTGFBYDE-JTQLQIEISA-N 310.354 -0.403 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CCO[C@@H](CC)C2)C1=O 298009951 ZCXTXCPEJQSFAY-STQMWFEESA-N 323.393 -0.131 30 20 DBED CN1CCO[C@H](C/N=C(/O)NC[C@H]2CCCS2(=O)=O)C1 330084355 QWWZVRXOHUEFAX-GHMZBOCLSA-N 305.400 -0.602 30 20 DBED CNS(=O)(=O)c1cccc(N=C(O)N2CC(=O)N(C)C2)c1 330886916 MSADYYNEMYVROQ-UHFFFAOYSA-N 312.351 -0.128 30 20 DBED CCCN(CC(=O)OCC)S(=O)(=O)N1CCO[C@@H](C#N)C1 336931166 ZUECWTVKGZONNF-NSHDSACASA-N 319.383 -0.269 30 20 DBED CCOC[C@H]1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)C1 337063705 IXJQPYDVZQZUMR-RYUDHWBXSA-N 303.384 -0.186 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@H](C)c1ncnn1C 337193431 UNZLUSQXBXCVOR-SNVBAGLBSA-N 316.387 -0.427 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC[C@@H](OCCO)C1 337777353 QVBLNQVWKONGIL-NWDGAFQWSA-N 305.400 -0.062 30 20 DBED COC(=O)[C@@H]1CN(S(=O)(=O)N(C)[C@@H](C)CC#N)C[C@@H](C)O1 337985977 MZZRXTCVFYFUHK-AXFHLTTASA-N 319.383 -0.273 30 20 DBED C=CCNC(=O)CNC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccnn1C 345661740 WRFDPYGBDMVFML-QMTHXVAHSA-N 319.365 -0.642 30 20 DBED CN1CCOC[C@@H]1C(=O)N1CCN(c2cccc(C#N)n2)CC1 346406490 CNFGFUNPSNVLPQ-CQSZACIVSA-N 315.377 -0.068 30 20 DBED C[C@H]1CCC[C@H]1NS(=O)(=O)CCCS(=O)(=O)NCC#N 349612034 IBFDWDFIFPEMCR-WDEREUQCSA-N 323.440 -0.073 30 20 DBED CC[C@@H]1CN(C)CCCN1S(=O)(=O)N1CCO[C@H](C#N)C1 349632063 XVIURXBVSGYGSF-CHWSQXEVSA-N 316.427 -0.128 30 20 DBED CC[C@H]1CN(C(=O)NCC(=O)NCC#N)C[C@H](C)S1(=O)=O 362110473 DBAHDOZMDZLLFV-UWVGGRQHSA-N 316.383 -0.767 30 20 DBED C#CCSCCNC(=O)N1CC[C@H](S(=O)(=O)NC)C1 366662822 MELYRYJXDNMULW-JTQLQIEISA-N 305.425 -0.314 30 20 DBED COCC(=O)N(C)CC(=O)N1CC(=O)Nc2ccc(C#N)cc21 411098704 RTUVVQZZWDRDPU-UHFFFAOYSA-N 316.317 -0.052 30 20 DBED C=C(C)CN(CC)C(=O)C(=O)N1CCN([C@H]2CCNC2)CC1 422984897 BOCVHJYWNXNVRP-AWEZNQCLSA-N 308.426 -0.083 30 20 DBED CCOCCS(=O)(=O)NCC(=O)N[C@@H]1CC[C@H](C#N)C1 424963908 FHNNUFUNCHEOEU-WDEREUQCSA-N 303.384 -0.249 30 20 DBED C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H]2CNC(=O)C2)c1 444197925 SINPLKXYUWMQIN-LLVKDONJSA-N 323.374 -0.231 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)Cn2ccnc2)CC1 491748429 DXMKUTROOYZPDR-UHFFFAOYSA-N 303.366 -0.833 30 20 DBED CCN(CCC#N)C(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C 531229953 BHXYHZBMHKNSHZ-UHFFFAOYSA-N 317.349 -0.049 30 20 DBED O=C(NCC#CCO)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 565202438 BQCCHDOTSDDHLY-JTQLQIEISA-N 321.289 -0.096 30 20 DBED C=CCNC(=O)NC(=O)CN1[C@H]2C[C@H]3[C@H]([C@@H]2O)[C@@H]2C[C@H]3[C@H](O)[C@H]21 575872137 GSSTZGQRACTLPF-IZNOGUHPSA-N 321.377 -0.941 30 20 DBED CN(CCC#N)C[C@H](O)CNC[C@H]1CCCN1S(C)(=O)=O 577622934 YGUXHXCRGVRMJH-CHWSQXEVSA-N 318.443 -0.794 30 20 DBED C=CCSCCNC(=O)[C@H]1CCCN(S(N)(=O)=O)C1 590443780 AOCFYEUWMPQOMB-JTQLQIEISA-N 307.441 -0.063 30 20 DBED CC[C@H](CNS(C)(=O)=O)NC(=O)N1CC[C@@](F)(C#N)C1 590944186 RGHKBBHVQXFDEE-MWLCHTKSSA-N 306.363 -0.039 30 20 DBED C[C@@H](N)CNC(=O)C(=O)N1CCN(c2ccccc2C#N)CC1 591418536 GUISOWAHHJOOJM-GFCCVEGCSA-N 315.377 -0.330 30 20 DBED C[C@H](CO)C1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC1 593504489 HTCYIQGGLDPRPL-SNVBAGLBSA-N 306.366 -0.200 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@H]1C(=O)NCC1(C)C 595349748 DWAQFIGVNMKOPR-JTQLQIEISA-N 318.399 -0.793 30 20 DBED Cc1ncc(C(=O)N(CCC#N)CCN2CCOCC2)c(N)n1 597019619 CXHCNLADWJYBKD-UHFFFAOYSA-N 318.381 0.055 30 20 DBED CC#CC[C@@H](CO)NC(=O)NCCCN(C)S(C)(=O)=O 645176491 VLNZBNLICUTDTJ-NSHDSACASA-N 305.400 -0.659 30 20 DBED C=CCn1cc(C(=O)NC2CCN(CC(=O)N(C)C)CC2)nn1 648777434 DADRUIICTDNZLE-UHFFFAOYSA-N 320.397 -0.254 30 20 DBED C=CCOC[C@@H](NC(=O)NCc1nnnn1C1CC1)C(=O)O 684740563 IUEMUWAUHLMKHV-SECBINFHSA-N 310.314 -0.537 30 20 DBED N#Cc1cccc(S(=O)(=O)NCC(=O)O[C@H]2CCOC2=O)c1 769825114 PGXUHVULJTZOHA-NSHDSACASA-N 324.314 -0.305 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)OCCn2ccnc2C)C1=O 771944066 RISBPQRBKWJAEW-UHFFFAOYSA-N 320.305 -0.288 30 20 DBED COc1ccc(C#N)cc1COC(=O)CNC(=O)CNC(C)=O 772263689 VUASBTDBMCOTHQ-UHFFFAOYSA-N 319.317 -0.138 30 20 DBED CCS(=O)(=O)NCCCNS(=O)(=O)CC(C)(C)C#N 777819980 WBISAKIAJBYWOP-UHFFFAOYSA-N 311.429 -0.215 30 20 DBED CCN(C[C@H](C)C#N)C(=O)COC(=O)Cn1ncn(C)c1=O 781267661 VSTRCCBUDFFSPP-SNVBAGLBSA-N 309.326 -0.867 30 20 DBED C#C[C@@H](NC(=O)C(=O)NCCCn1ccnc1C)[C@H]1CCCO1 787657618 YATHNOAARSGZMW-ZIAGYGMSSA-N 318.377 -0.005 30 20 DBED CC1(C)OCC(NS(=O)(=O)N2CCO[C@H](C#N)C2)CO1 800108437 BNFLFKAJTLGISO-SNVBAGLBSA-N 305.356 -0.803 30 20 DBED C=CCNC(=O)NC(=O)CN1CCC(C(=O)N(C)OC)CC1 812869299 WDVYUYVHDDJKFD-UHFFFAOYSA-N 312.370 -0.270 30 20 DBED C#CC[C@@H](CO)NC(=O)c1cc(NS(C)(=O)=O)ccc1O 816672346 WZQYPSKSYDXSPJ-JTQLQIEISA-N 312.347 -0.122 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 828053472 YPWRPQXLTRVNRS-CQSZACIVSA-N 307.394 -0.305 30 20 DBED C=CCONC(=O)N1CCN(C(=O)CN2CCOCC2)CC1 838702331 QLTBETKGKVZAOH-UHFFFAOYSA-N 312.370 -0.710 30 20 DBED C#C[C@H](NC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C)[C@@H]1CCCO1 842163526 MTNQVKUKLVAKRL-VOAKCMCISA-N 323.393 -0.487 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H]1CCCN(CCN2CCOCC2)C1 882635675 JHOPJMAUCALGMG-CVEARBPZSA-N 323.437 -0.063 30 20 DBED C#CC1(O)CN(C(=O)NCCNS(=O)(=O)c2ccccc2)C1 891768310 SYDZZLUCCPQOCW-UHFFFAOYSA-N 323.374 -0.646 30 20 DBED CN1CCNC[C@H]1C(=O)N1CCN(c2cc(C#N)ccn2)CC1 911634433 BOSGRYGMJFCKLP-AWEZNQCLSA-N 314.393 -0.495 30 20 DBED CN(C)CC#CCNC(=O)c1ccc(NS(C)(=O)=O)nc1 913524513 PIAUWWMARKSOTC-UHFFFAOYSA-N 310.379 -0.252 30 20 DBED COc1nn(C)cc1C(=O)N[C@H]1CCN(C(=O)[C@H](C)C#N)C1 938404450 NAHGUVTXGNPDDJ-ZJUUUORDSA-N 305.338 -0.081 30 20 DBED C#Cc1cncc(C(=O)N2CC[C@@H](NC(=O)c3cnn(C)n3)C2)c1 941562456 KUYHZWKTXNPFKK-CYBMUJFWSA-N 324.344 -0.164 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@H](CNC(=O)c2ccc(O)nc2)C1 944773465 WDNZFRBGZUANRX-ZYHUDNBSSA-N 318.333 -0.096 30 20 DBED N#CCN1C[C@H]2CCN(C(=O)C3CC(=O)NC(=O)C3)CC[C@H]2C1 946820995 HFSFSOKGYVRSKX-TXEJJXNPSA-N 318.377 -0.267 30 20 DBED CS(=O)(=O)CC(=O)N1CCOC2(CCN(CC#N)CC2)C1 949038395 RPUHJKWCWVVXLN-UHFFFAOYSA-N 315.395 -0.752 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CCC[C@H](C1)N2C(=O)c1nnn(C)n1 952786483 HHASJUKSTKBOES-GARJFASQSA-N 317.353 -0.425 30 20 DBED C#CCN1CCC(C(=O)N2CCN([C@H](C)C(=O)NC)CC2)CC1 957776539 LOXODTMSJDEVJE-CQSZACIVSA-N 320.437 -0.390 30 20 DBED CC#CCN1C[C@H](CNC(=O)c2nnn(CC)c2CC)[C@@H](O)C1 958403240 BLVICPLLIWGNJQ-JSGCOSHPSA-N 319.409 -0.094 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H]2CN(C(=O)Cn3cnnn3)C[C@H]2C1 959829130 KNKFOMNJBZGNGL-TXEJJXNPSA-N 318.381 -0.198 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cc[nH]n1 960062618 ZCBJFOJCKJDMLN-ZMLRMANQSA-N 303.322 -0.379 30 20 DBED Cn1cnc(C(=O)N2C[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]3C2)n1 961509087 LUYIEJZXRKSQMF-BETUJISGSA-N 313.361 -0.241 30 20 DBED CCn1cc(C(=O)N2C[C@@H]3CN(C(=O)[C@H](C)C#N)C[C@@H]3C2)nn1 962256769 GVYJRUWXDNYNGL-UTUOFQBUSA-N 316.365 -0.012 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCOC3)C[C@@H]2O)[nH]1 962329163 QVHNATSIVQIWDJ-WQAKAFBOSA-N 318.333 -0.776 30 20 DBED CC1(C(=O)N2C[C@H](O)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)CC1 962392022 FVUDHNSUSQCISG-NEPJUHHUSA-N 302.334 -0.012 30 20 DBED O=C(NC[C@@H]1COCCN1C(=O)C#CC1CC1)c1csnn1 964268777 RELBFAYXMJOHJL-LLVKDONJSA-N 320.374 -0.091 30 20 DBED C#CCN1CC[C@H](C)[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 968375298 UVPQKMLQBRGDHN-WCQYABFASA-N 318.377 -0.843 30 20 DBED Cc1nocc1C(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 970213814 OKAHUGCUDFJDNK-OLZOCXBDSA-N 303.318 -0.302 30 20 DBED C=CCCN1CCO[C@@]2(CCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)C1 972553711 IMVUVBIPRLXMIW-WWGRRREGSA-N 307.394 -0.013 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]1CN(C)C(=O)c1cc(=O)n(C)o1 977637900 JEIRCLDTUUJVTP-VHSXEESVSA-N 306.322 -0.189 30 20 DBED CC#CCN1C[C@@H]2C(CNC(=O)[C@H]3CN(C(C)=O)CCO3)[C@H]2C1 979010606 DHHXPCDNMJSXPJ-BZUAXINKSA-N 319.405 -0.449 30 20 DBED CC(=O)N1CCO[C@@H](C(=O)N2CC3(CCCN(CC#N)C3)C2)C1 982135590 LVUWEPSQXZAYRT-CQSZACIVSA-N 320.393 -0.318 30 20 DBED C#CCCN1CCCN(C(=O)[C@H]2CCN(C)S2(=O)=O)CC1 982165905 USLXINUYMICXOR-CYBMUJFWSA-N 313.423 -0.422 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2CCC[C@H](NC(=O)C(N)=O)C2)cn1 983670886 CHYZHTFXOJWCFP-STQMWFEESA-N 314.345 -0.295 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CN(C)CCO2)C1 990629602 JHCSEYUNNYQVRJ-RDBSUJKOSA-N 323.393 -0.765 30 20 DBED C#CCN[C@@H]1CCC[C@@H]2CN(C(=O)CN3CC(=O)NC3=O)C[C@@H]21 992865701 YYIAULGMZPFTCN-FRRDWIJNSA-N 318.377 -0.612 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)c3cnn[nH]3)C[C@]2(C)C1 993104827 FUSCZBXQVJKVPL-RULNRJAQSA-N 302.338 -0.115 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)C3(C(N)=O)CC3)C[C@]2(C)C1 993332594 ILAHDYSRIJCBTN-RWSFTLGLSA-N 318.377 -0.282 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)Cn3cccn3)C2)nc1 997067924 HJKOAPRSZLARKW-UHFFFAOYSA-N 309.329 -0.100 30 20 DBED C#CCN1CCC([C@H](C)NC(=O)c2cn(CC(N)=O)nn2)CC1 997871878 QPFWUGRCCCAMQG-NSHDSACASA-N 318.381 -0.773 30 20 DBED C=C(Cl)CNC1CC(N(C)C(=O)Cn2ncn(C)c2=O)C1 999017169 YTOVOQZXGBFYNW-UHFFFAOYSA-N 313.789 -0.087 30 20 DBED C#CCNC1CC(N(C)C(=O)c2ccc(S(N)(=O)=O)o2)C1 999050924 PIEPSUWDIGRYHP-UHFFFAOYSA-N 311.363 -0.247 30 20 DBED C=CCN1CC[C@@H](n2cc(CNC(=O)c3ncn(C)n3)nn2)C1 999993571 WPKBIOCBGCHHHJ-GFCCVEGCSA-N 316.369 -0.231 30 20 DBED C=C(Br)CN1CC[C@@H](NC(=O)Cn2cnnn2)C1 1010094410 KEVDJHSPDMMIAS-SECBINFHSA-N 315.175 -0.228 30 20 DBED CS(=O)(=O)CCN1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 1010686462 CMRMOMNGWXZDNZ-NSHDSACASA-N 310.379 -0.265 30 20 DBED O=C(NC1[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]12)[C@H]1COCCO1 1012801017 RQOITHHLNQILCK-JHJVBQTASA-N 304.346 -0.612 30 20 DBED N#CCN1CC[C@H](NC(=O)c2cccc(OCC(N)=O)c2)C1 1014625012 LUKNVDOPABKRRK-LBPRGKRZSA-N 302.334 -0.122 30 20 DBED C#CCCN1CC[C@H](NC(=O)[C@H]2CC(=O)N(CCOC)C2)C1 1014632283 MYAKKFSYEMCZQG-KBPBESRZSA-N 307.394 -0.305 30 20 DBED C=C(Cl)CN1CC[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 1016283107 GUSRVGZLNWSGQO-ZJUUUORDSA-N 307.803 -0.379 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(C1)CN(C(=O)[C@@H]1CCC(=O)NC1)C2 1019173870 XIBYYAMAQYVRQD-NWDGAFQWSA-N 318.377 -0.267 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cccnn2)C1 1025271088 WJLMYNASWRCXAO-VXGBXAGGSA-N 304.350 -0.010 30 20 DBED C=CCN1CC[C@H](N2C[C@H]3[C@H](NC(=O)[C@H]4CCOC4)[C@H]3C2)C1=O 1025701134 OYBRWEKVYHXVPG-SBJFKYEJSA-N 319.405 -0.144 30 20 DBED C#CCN[C@@H]1CC[C@H]2CN(C(=O)CN3CCCNC3=O)C[C@H]21 1026301833 FKTSZUKKAFTPTQ-BFHYXJOUSA-N 304.394 -0.139 30 20 DBED C=CCCn1cc(C(=O)NC[C@@H]2CCCN2[C@@H](C)C(N)=O)nn1 1028192331 KNICAQRKDQGZEP-RYUDHWBXSA-N 320.397 -0.078 30 20 DBED C#CCCN1[C@H]2CC[C@H]1CN(C(=O)CN1CCC(=O)NC1=O)C2 1029543980 PHSIXBFXJXQRDO-STQMWFEESA-N 318.377 -0.373 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2CN(CCOC)CCO2)nn1 1035534867 DHEKXMXTFIRZFD-LBPRGKRZSA-N 309.370 -0.459 30 20 DBED CC[C@@H]1CN(C(=O)CN2CCNC(=O)C2)CC[C@@H]1NCC#N 1037890980 LGKDLFSOMFFZNC-OLZOCXBDSA-N 307.398 -0.842 30 20 DBED C#CCN1CC[C@@H]1CNC(=O)c1ccccc1OCC(N)=O 1038488437 KPCVLRZLLYKEAL-GFCCVEGCSA-N 301.346 -0.012 30 20 DBED N#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@@H](C(N)=O)O1 1039435856 GHLLWYXFVPEMME-MROQNXINSA-N 306.366 -0.392 30 20 DBED CC(C)C#CC(=O)N1CC[C@](O)(CNC(=O)Cn2ccnc2)C1 1040213977 DOZAQCRFAJEDFA-INIZCTEOSA-N 318.377 -0.378 30 20 DBED CO[C@H](C)C(=O)N1CC(O)(CNC(=O)c2c[nH]c(C#N)c2)C1 1042669259 JTIAOZICTMEOPN-SECBINFHSA-N 306.322 -0.776 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)[C@@H]2CN(C)C[C@H]2C)C1 1042941602 PJSSFCVHOPUCLX-ZIAGYGMSSA-N 321.421 -0.467 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)[C@H]2CC[C@@H](C)O2)C1 1043035970 HPOQWPCOVNPVHW-CHWSQXEVSA-N 324.377 -0.717 30 20 DBED C#CCCCCC(=O)N1CC(O)(CNC(=O)Cn2ccnc2)C1 1043711422 PRCNTXQESIONCS-UHFFFAOYSA-N 318.377 -0.234 30 20 DBED Cc1n[nH]c(C)c1C(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1044720257 KTBNFDFZLKGSBA-UHFFFAOYSA-N 316.361 -0.257 30 20 DBED C#CCCN1CC[C@@H](N2CCN(C(=O)c3cn(C)nn3)CC2)C1 1046029417 SPURNZNURZWNNQ-CQSZACIVSA-N 316.409 -0.330 30 20 DBED N#CCN1CC[C@@H](N2CCN(C(=O)[C@H]3CCCNC3=O)CC2)C1 1046037721 WWTATDZSZPQOQR-KGLIPLIRSA-N 319.409 -0.745 30 20 DBED COc1nc(C)ncc1C(=O)N(C)[C@H]1CN(CC#N)C[C@@H]1O 1047404918 ZZJJNLKPRXQUMU-RYUDHWBXSA-N 305.338 -0.566 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cnn3c2OCCC3)C1 1047443940 RJLHCMUHZRNZPV-STQMWFEESA-N 306.366 -0.031 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cc(=O)c(OC)c[nH]2)C1 1047458300 KTSPSLCJTZCGHK-AAEUAGOBSA-N 305.334 -0.866 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CN(Cc2cnon2)C[C@@H]1O 1047533587 YAMYCKMCDCEWBK-RFGFWPKPSA-N 322.365 -0.336 30 20 DBED C=C[C@](C)(O)CC(=O)N(C)[C@H]1CN(C(=O)CCOC)C[C@@H]1O 1048761871 JIPMBRZRBNLUDH-HUBLWGQQSA-N 314.382 -0.620 30 20 DBED Cc1cn(C)nc1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)C#N)C1 1049395284 SBQNCFIOLPRSAK-DLOVCJGASA-N 319.365 -0.468 30 20 DBED C#CCCN1CCOC[C@@H]1CNC(=O)c1cc(=O)n(C)cn1 1050964550 HCQOINGGKHFAED-LBPRGKRZSA-N 304.350 -0.766 30 20 DBED CC#CCN1CCOC[C@H]1CNC(=O)[C@H]1CCc2nncn2C1 1051256484 WMKHWGOZHAAXGJ-UONOGXRCSA-N 317.393 -0.319 30 20 DBED C=CCN1CC[C@@H](N2CCC[C@H](NC(=O)C(N)=O)CC2)C1=O 1052675109 WRXOVXTWPWXXFP-NWDGAFQWSA-N 308.382 -0.771 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)[C@H]1CCC(=O)N1C)CCO2 1053391470 LJPQTQVCNKDYBY-CYBMUJFWSA-N 305.378 -0.456 30 20 DBED CN1CCO[C@@H](C(=O)NC[C@@H]2CCC3(CN(CC#N)C3)O2)C1 1053586330 QLDLPMMECSMMLR-QWHCGFSZSA-N 308.382 -0.810 30 20 DBED CC#CCN1CC2(CC[C@@H](CNC(=O)c3cn(C)nn3)O2)C1 1053597386 CNFMEMRTPVSCBM-LBPRGKRZSA-N 303.366 -0.198 30 20 DBED COCCn1nccc1C(=O)N[C@H]1COC2(C1)CN(CC#N)C2 1053838416 APSFTNPBBWLGKO-GFCCVEGCSA-N 319.365 -0.374 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)CN3CCCCC3=O)CO2)C1 1053857238 ZBLLFMUQJRGUIF-CYBMUJFWSA-N 305.378 -0.408 30 20 DBED CCc1c(C(=O)N[C@@H]2COC3(C2)CN(CC#N)C3)nnn1CC 1053923130 OKCFJAGIGQUGLK-NSHDSACASA-N 318.381 -0.043 30 20 DBED C#CCN1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CNC(=O)N1 1054051980 LUJIADIVJZZVKC-HUUCEWRRSA-N 312.373 -0.156 30 20 DBED C#CCN1CC[C@]2(CCCN(C(=O)[C@H]3CN(C)C(=O)N3)C2)C1 1054178190 XVCOGADFHPCNFC-CZUORRHYSA-N 304.394 -0.042 30 20 DBED C#CCCCC(=O)N1C[C@H]2CN(C(=O)[C@@H]3CCNC3=O)C[C@H]2C1 1055310938 WPHKLVNXMLLIEB-HZSPNIEDSA-N 317.389 -0.157 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)CCCC(N)=O)C[C@@H]2C1 1055388043 BIKZSLPAKPGSQK-UTUOFQBUSA-N 306.366 -0.282 30 20 DBED N#Cc1cnc(N2CCN(C(=O)[C@H]3COC(=O)N3)CC2)cn1 1055785199 BFMIUWHUDJTSIJ-SNVBAGLBSA-N 302.294 -0.895 30 20 DBED CC(C)OCC(=O)N(CCO)CCNC(=O)c1c[nH]c(C#N)c1 1057136757 XPXROPBJMRKPKD-UHFFFAOYSA-N 322.365 -0.138 30 20 DBED N#Cc1cc(C(=O)NCCN(CCO)C(=O)[C@@H]2CCOC2)c[nH]1 1057145736 IALBVKQCUIHPEL-LLVKDONJSA-N 320.349 -0.526 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)Cn1ccnc1 1057196283 BIFNETNQKSARNY-UHFFFAOYSA-N 310.354 -0.977 30 20 DBED CN1CCC[C@H]1C(=O)N(CCO)CCNC(=O)C#CC1CC1 1057212778 VXMHEKHGDDYAIF-AWEZNQCLSA-N 307.394 -0.569 30 20 DBED N#Cc1ccc([N+](=O)[O-])c(N2CCCN(C(=O)C(N)=O)CC2)c1 1057222174 FQKXEJYKIYDPFB-UHFFFAOYSA-N 317.305 -0.010 30 20 DBED N#Cc1c[nH]c(C(=O)N(CCO)CCNC(=O)c2ncc[nH]2)c1 1057291351 BFIYUZLVHQSYKF-UHFFFAOYSA-N 316.321 -0.526 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)c1cn(C)cn1 1057344958 IBRLCPGRRBANHG-UHFFFAOYSA-N 310.354 -0.827 30 20 DBED C=CC(C)(C)CC(=O)NCCN(CCO)C(=O)c1ncn(C)n1 1057498180 SMJVBLOZYSBFIY-UHFFFAOYSA-N 323.397 -0.032 30 20 DBED CCn1cc(C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N)c(C)n1 1057612621 UEQNCLBBNVCYKI-NSHDSACASA-N 321.381 -0.078 30 20 DBED C=C(C)CCC(=O)N(CCO)CCNC(=O)Cc1nc[nH]n1 1057805373 BSDCBKQBDWQBTC-UHFFFAOYSA-N 309.370 -0.359 30 20 DBED CCn1cc(C(=O)N[C@@H]2CCN(c3cncc(C#N)n3)C2)nn1 1058432344 QVFKRBQVKRBFPT-SNVBAGLBSA-N 312.337 -0.032 30 20 DBED CN1CCC[C@@H]1C(=O)N1CC[C@H](N=c2cc[nH]c(C#N)n2)C1 1058849815 MTXWIZKRRAKORC-NWDGAFQWSA-N 300.366 -0.123 30 20 DBED NC(=O)NCC(=O)N1CC[C@@H](CCNC(=O)C#CC2CC2)C1 1059117031 JRSKHKQOUQYPSE-GFCCVEGCSA-N 306.366 -0.577 30 20 DBED C=CCOCC(=O)N1CCOC[C@@H]1CNC(=O)CCOC 1061160816 QDGGWBLVWFFCRM-LBPRGKRZSA-N 300.355 -0.431 30 20 DBED CC(=O)NCC(=O)NC[C@H]1COCCN1C(=O)C#CC(C)C 1061217134 PECHYCRVVYLLRO-ZDUSSCGKSA-N 309.366 -0.875 30 20 DBED C=CCOCC(=O)N1CCOC[C@@H]1CNC(=O)c1cnc(C)[nH]1 1061420914 GCTSDADSOVLTFX-LBPRGKRZSA-N 322.365 -0.122 30 20 DBED Cc1nn[nH]c1C(=O)N1CCOC[C@H]1CNC(=O)[C@@H](C)C#N 1061851736 PIPZGQBHRAFZSJ-WCBMZHEXSA-N 306.326 -0.770 30 20 DBED Cc1nsc(N2[C@H]3CC[C@H]2CN(C(=O)C(N)=O)C3)c1C#N 1062018588 KUFANROHHUYTRJ-IUCAKERBSA-N 305.363 -0.012 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)[C@@H]2CC(=O)N(C)C2)CCC1 1063327746 OOYFMTUCCPAYFJ-GHMZBOCLSA-N 306.366 -0.221 30 20 DBED N#Cc1nccnc1N1CCO[C@@H](CNC(=O)c2nc[nH]n2)C1 1063639151 NDUTWNWRIAJOLW-VIFPVBQESA-N 314.309 -0.898 30 20 DBED CN(CCC1CCN(C(=O)C(N)=O)CC1)c1cncc(C#N)n1 1063972390 YSPIUXFCIIWAAB-UHFFFAOYSA-N 316.365 -0.102 30 20 DBED N#Cc1ccc(N2CC[C@@H]3CN(C(=O)C(N)=O)CC[C@H]32)nn1 1064032848 GYQABBNXQUJCEH-MWLCHTKSSA-N 300.322 -0.739 30 20 DBED N#Cc1nccc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)c2ccc(O)nn2)n1 1064216769 PPDNVTDEHXGRKJ-IPURGOFSSA-N 323.316 -0.149 30 20 DBED Cn1nnc(C(=O)N[C@]2(C)CCN(c3cnc(C#N)cn3)C2)n1 1065316947 QGHDRVYPDNVANL-CYBMUJFWSA-N 313.325 -0.729 30 20 DBED N#Cc1nccc(N2C[C@@H](O)[C@@H](CNC(=O)c3ccncc3)C2)n1 1067643117 QCDYVXFLAQZQOG-QWHCGFSZSA-N 324.344 -0.030 30 20 DBED COCC(=O)N1CC2(CC[C@@H](CNC(=O)C#CC3CC3)O2)C1 1068571552 PCEPTJOPLJLHDO-ZDUSSCGKSA-N 306.362 -0.078 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1COC2(C1)CN(C(=O)Cc1cnoc1)C2 1069007093 AMEBBIQQPVMTHB-JQWIXIFHSA-N 318.333 -0.137 30 20 DBED N#Cc1c[nH]c(C(=O)NCc2cnn3c2CN(CCO)CC3)c1 1069856683 IFUDXPMFKNVJKJ-UHFFFAOYSA-N 314.349 -0.179 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2CN(CC#N)C[C@@H]2n2ccnn2)c1 1070022342 JYWZBTHYMKIRGA-CABCVRRESA-N 321.344 -0.167 30 20 DBED Cc1cnn(CC(=O)N2C[C@H](n3ccnn3)[C@H](NCC#N)C2)c1 1070151983 KSZTXSZALANDRH-OLZOCXBDSA-N 314.353 -0.652 30 20 DBED C=CCN[C@@H]1CN(C(=O)Cc2ccn(C)n2)C[C@@H]1n1ccnn1 1070193852 UKOMAIYJFRATMC-KGLIPLIRSA-N 315.381 -0.218 30 20 DBED N#CCN1C[C@H]2C[C@@H]3CN(C(=O)c4ccc(O)nn4)C[C@@]3(C1)O2 1070755994 YXEPWQRMTWEOCS-UEKVPHQBSA-N 315.333 -0.379 30 20 DBED N#CCN1CCNC(=O)CCN(C(=O)c2cscn2)CC1 1070946042 OOPMZIZEHUYOTO-UHFFFAOYSA-N 307.379 -0.069 30 20 DBED Cc1cc(C(=O)N2CCC(=O)NCCN(CC#N)CC2)ncn1 1070956712 ZHBZIXLBPUNUTM-UHFFFAOYSA-N 316.365 -0.427 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CN(C(=O)CC2CC2)C[C@@H]1C 1071450147 ZMSCLIJILCSZKM-AAEUAGOBSA-N 305.378 -0.111 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CN(C(=O)CC2CC2)C[C@H]1C 1071450150 ZMSCLIJILCSZKM-YPMHNXCESA-N 305.378 -0.111 30 20 DBED C[C@H]1CN(C(=O)c2cnnn2C)C[C@H]1NC(=O)CSCC#N 1072007869 XVKPJKVXALJDDW-VHSXEESVSA-N 322.394 -0.351 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2(NC(N)=O)CC2)C1 1072035855 QPIQMTRMZYBVJK-NEPJUHHUSA-N 320.393 -0.190 30 20 DBED C#CCC1(C(=O)N[C@H]2CN(C(=O)C(N)=O)C[C@H]2C)CCOCC1 1072639418 WLVRSPSFXFMTAN-NEPJUHHUSA-N 321.377 -0.745 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)[C@@H]2CCCN(C(N)=O)C2)C1 1073687544 UZICHMCZJISLSU-ZIAGYGMSSA-N 322.409 -0.383 30 20 DBED C=C(C)CCN1CCO[C@@H]2CCN(C(=O)Cn3ncnn3)C[C@H]21 1074242534 ZFBFJGFCMUSQGJ-ZIAGYGMSSA-N 320.397 -0.059 30 20 DBED C=CCCC(=O)NCC1(O)CCN(C(=O)c2cnn(C)n2)CC1 1074640836 CZFUPMBOCKZDJN-UHFFFAOYSA-N 321.381 -0.135 30 20 DBED C#CCCCC(=O)NCC1(O)CCN(C(=O)c2cnon2)CC1 1074687876 ASNYMPIDJNWNCG-UHFFFAOYSA-N 320.349 -0.044 30 20 DBED C=CCN1CC[C@H](N2C[C@@H]3CCN(C(=O)COC)[C@@H]3C2)C1=O 1075465049 FIHLDCJSEHZISA-MELADBBJSA-N 307.394 -0.048 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC[C@H](C)NC(=O)c1cnnn1C 1076300439 JXVGWQJXYDAUKT-IINYFYTJSA-N 309.370 -0.233 30 20 DBED C=CCCN1C[C@@H]2CCN(C(=O)CN3CC(=O)NC3=O)[C@@H]2C1 1076369002 CBOCIGXULJSPES-NWDGAFQWSA-N 306.366 -0.353 30 20 DBED C#CCOCCC(=O)NCC[C@H](C)NC(=O)Cn1nccn1 1076505054 FXGFHBTUFWNFPL-LBPRGKRZSA-N 307.354 -0.671 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCc3nn[nH]c32)C1 1077585293 YAIQRQVTQKNKRW-RAIGVLPGSA-N 305.382 -0.038 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(Cc2ccon2)C[C@H]1O 1077694180 HYTRGMOTEZKDKO-SYQHCUMBSA-N 307.350 -0.073 30 20 DBED CCNC(=O)CC(=O)NC[C@H]1CN(C(=O)C#CC(C)C)C[C@H]1O 1081425711 VSRZANJIWXKWEC-QWHCGFSZSA-N 323.393 -0.893 30 20 DBED CNC(=O)CC(=O)NC[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1O 1081434102 QRODPLAQNHHQIX-VXGBXAGGSA-N 323.393 -0.893 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)c2ncn(C)n2)C[C@@H]1O 1081463361 MCSACYLIILFZKX-RYUDHWBXSA-N 319.365 -0.976 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@H]1CCCc2nn[nH]c21 1082072746 GVMINMMGWBWMQX-MVWJERBFSA-N 304.354 -0.436 30 20 DBED CCCN1C[C@H](C(=O)N[C@@H]2CN(CC#N)C[C@H]2OC)CC1=O 1082188618 JHJDYKCWVAGWPO-JHJVBQTASA-N 308.382 -0.416 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cnnn1CC 1083074158 HDVOVVCFGACYRJ-UONOGXRCSA-N 303.366 -0.154 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)c2cn3nccc3nc2C)C1 1083902316 LRJDMUCJXXPYKQ-KGLIPLIRSA-N 313.361 -0.164 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)Cc2nc(C3CC3)nn2C)C1 1084075684 QFUVBMOMSCWCPM-NEPJUHHUSA-N 303.366 -0.971 30 20 DBED C=CCN1CC[C@@H]2CN(C(=O)CCn3cc[nH]c(=O)c3=O)[C@@H]2C1 1084724518 IBZBCWQTBQIELG-CHWSQXEVSA-N 318.377 -0.355 30 20 DBED C#CCN[C@@H]1CN(C(=O)Cn2cccn2)C[C@H]1c1cnn(C)c1 1086967321 XWUVWRURWJTHHH-LSDHHAIUSA-N 312.377 -0.166 30 20 DBED CC#CCN1CC[C@H](NC(=O)C2CC3(C2)NC(=O)NC3=O)[C@H]1C 1088915238 QNTFVNQRJJBSFH-ZWRZFFQRSA-N 318.377 -0.423 30 20 DBED C#CCN1C[C@H]2[C@H]3CC[C@@H]([C@H]2C1)N(C(=O)c1nnn(C)n1)C3 1089847229 RYGNTKLLYSMBIM-CYDGBPFRSA-N 300.366 -0.374 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)COCC3CC3)C2)nn1 1090396136 XRTSYEQKDAVUGG-CHWSQXEVSA-N 317.349 -0.559 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2ccc(C(=O)NC)nc2)[C@H](O)C1 1090733500 GYFBYHFIJXCOEL-TZMCWYRMSA-N 316.361 -0.761 30 20 DBED CC(C)OCC(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@@H]1O 1091078523 XUYJOGQHWNAZEK-NEPJUHHUSA-N 305.338 -0.561 30 20 DBED CNC(=O)NCC(=O)NC[C@H]1C[C@H](N=c2cc[nH]cc2C#N)C1 1091520366 KHRACOKAUKQSJF-UMSPYCQHSA-N 316.365 -0.389 30 20 DBED CSCC(=O)N[C@H]1CCN(c2cnc(C#N)cn2)C[C@@H]1O 1092149391 YBXGZURSIDIMNJ-QWRGUYRKSA-N 307.379 -0.233 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2CN(CC(=O)NC)C[C@H]2C)nn1 1093035079 LUKRCTIQGPEOIX-VXGBXAGGSA-N 320.397 -0.492 30 20 DBED COC(=O)NCC(=O)NC1[C@H]2CN(c3ccnc(C#N)n3)C[C@H]12 1093239252 JILYTUUXUSSGFA-IUCAKERBSA-N 316.321 -0.745 30 20 DBED C#CCNC(=O)CC(=O)NCCNc1nccc(SC)n1 1093558476 XIJSEYRZDPFYAF-UHFFFAOYSA-N 307.379 -0.134 30 20 DBED N#Cc1c[nH]ccc1=NCCNC(=O)[C@@H]1CCCCS1(=O)=O 1093923045 RSZSATQZOBQHIB-ZDUSSCGKSA-N 322.390 -0.129 30 20 DBED N#Cc1cncc(NCCCNC(=O)C[C@@H]2CCC(=O)N2)n1 1094494801 XFMJCZUVHNHJGO-JTQLQIEISA-N 302.338 -0.065 30 20 DBED Cn1cc(OCC(=O)NCCCN=c2cc[nH]c(C#N)n2)cn1 1094733445 KYACATYYUSBIFO-UHFFFAOYSA-N 315.337 -0.499 30 20 DBED N#CCN1CC(N2C[C@H](NC(=O)Cc3cscn3)CC2=O)C1 1094791670 HGKJIMAFSDWAHF-SNVBAGLBSA-N 319.390 -0.390 30 20 DBED CN(CCCNC(=O)c1cnnn1C)c1nccnc1C#N 1095537571 WUCLRZDAQSTCLC-UHFFFAOYSA-N 300.326 -0.267 30 20 DBED N#Cc1nc(=N[C@@H](CNC(=O)Cn2cncn2)C2CC2)cc[nH]1 1096676159 OQXXHQZRXCRUNG-NSHDSACASA-N 312.337 -0.631 30 20 DBED CC(=O)N[C@@H](C)C(=O)N1CC[C@H](N=c2cc[nH]cc2C#N)C1 1096913256 BHYGIYXSKNHJEL-GWCFXTLKSA-N 301.350 -0.087 30 20 DBED CN(C)C(=O)CC(=O)N[C@H]1C[C@H](Nc2ccc(C#N)nn2)C1 1097105781 DWLYBDKQRXLUIO-XYPYZODXSA-N 302.338 -0.114 30 20 DBED COC[C@]1(C(=O)NC[C@H](C)N=c2cc[nH]c(C#N)n2)CCOC1 1098166635 UEHUXJLAWQQGTC-XHDPSFHLSA-N 319.365 -0.260 30 20 DBED C[C@@H](CNC(=O)CN1CCOCC1=O)Nc1nccnc1C#N 1098355661 IKSILWCLBXCAML-JTQLQIEISA-N 318.337 -0.876 30 20 DBED N#Cc1ccc(NC[C@@H]2CCN(C(=O)CNC(N)=O)C2)cn1 1098500790 KNBOPPUNPMBPGJ-JTQLQIEISA-N 302.338 -0.118 30 20 DBED CNC(=O)CC(=O)N1CCC[C@@H](N(C)c2nccnc2C#N)C1 1098684235 OMCDLMRWEZYUBA-LLVKDONJSA-N 316.365 -0.088 30 20 DBED C=CCNCc1cn([C@@H]2CCN(C(=O)c3nc[nH]n3)C2)nn1 1098752345 WMXVQRSKEYCUJE-LLVKDONJSA-N 302.342 -0.241 30 20 DBED C[C@@H](CCNC(=O)[C@H]1C[C@H]1C(N)=O)N=c1cc[nH]c(C#N)n1 1099691959 QTZXKBKVNWBXKV-AEJSXWLSSA-N 302.338 -0.802 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)c2ccon2)[C@@H](O)C1 1099706947 KGDDQMUFQPPAHX-PWSUYJOCSA-N 308.338 -0.858 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCN(Cc2cnns2)C[C@@H]1O 1099835519 JFOMKQROLNFBOW-OLZOCXBDSA-N 324.406 -0.371 30 20 DBED Cc1c(C(=O)NCCN(C)c2cncc(C#N)n2)nnn1C 1099974557 HSNCBCFOCFZGHU-UHFFFAOYSA-N 300.326 -0.349 30 20 DBED CN(CCNC(=O)C[C@H]1CCNC1=O)c1nccnc1C#N 1100193487 IASINNJWVCOWKL-SNVBAGLBSA-N 302.338 -0.573 30 20 DBED N#CCNC(=O)CNC1CC(CNC(=O)c2ncccc2O)C1 1100266390 IPJYESPLRNRLEJ-UHFFFAOYSA-N 317.349 -0.475 30 20 DBED COC[C@@H](OC)C(=O)NCCN(C)c1nc(C)cc(C#N)n1 1100314501 SCIHWVHCAYGWIH-GFCCVEGCSA-N 307.354 -0.130 30 20 DBED CCCN(CCNC(=O)CNC(=O)NC)c1ccnc(C#N)n1 1101254737 HFMRDBNGGHVKMH-UHFFFAOYSA-N 319.369 -0.390 30 20 DBED N#Cc1nccnc1N1CC[C@@H](CCNC(=O)CNC(N)=O)C1 1102283166 OLCLNNHCLMEPBO-SNVBAGLBSA-N 317.353 -0.651 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1CNC(=O)CCn1cc[nH]c(=O)c1=O 1102469918 DOBQQDUQKBKYCH-VXGBXAGGSA-N 319.365 -0.866 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](C)CNC(=O)[C@H](C)NC(N)=O)n1 1103935140 SZLALZDRQSRUBC-WPRPVWTQSA-N 319.369 -0.122 30 20 DBED C=CCNCc1cn(C2CN(C(=O)[C@H]3CCNC(=O)C3)C2)nn1 1105209956 YRAIECYAZDYAMF-NSHDSACASA-N 318.381 -0.537 30 20 DBED CNC(=O)CC(=O)N1C[C@]2(C[C@@H](O)[C@H](NCC#N)C2)[C@@H]1C(C)C 1105623549 RFGFQNCFDRTQII-MPTQWLOMSA-N 322.409 -0.388 30 20 DBED CC#CCN1CC(OC2CCN(C(=O)CCNC(N)=O)CC2)C1 1105734101 ZKGWDCDZZCLDIS-UHFFFAOYSA-N 322.409 -0.240 30 20 DBED N#Cc1nc(=NC[C@@H](O)CNC(=O)C[C@H]2CCCCO2)cc[nH]1 1105789191 UEKNPIOGNLBHQJ-VXGBXAGGSA-N 319.365 -0.382 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)C2=CCOCC2)nn1 1105801680 BTZWLVIQGDKXKS-LBPRGKRZSA-N 303.322 -0.416 30 20 DBED N#Cc1nccnc1NC[C@@H](O)CNC(=O)C12CCN(CC1)C2 1105917445 IOZYCSVCCVMFBK-LLVKDONJSA-N 316.365 -0.667 30 20 DBED Cc1nc(C)c(C(=O)NC[C@H](O)CNc2nccnc2C#N)[nH]1 1106110560 VABFSUNKMURJQM-SNVBAGLBSA-N 315.337 -0.109 30 20 DBED C[C@@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)[C@@H]1CN(C)C(=O)N1 1106518774 FRSPEXKMADSPII-UWVGGRQHSA-N 317.353 -0.900 30 20 DBED C[C@H](CCNc1ccc(C#N)nc1)NC(=O)[C@@H]1CNC(=O)N1 1106544257 XVZRVDYZICUNLJ-SKDRFNHKSA-N 302.338 -0.059 30 20 DBED C[C@H](C(=O)NC/C=C/CN=c1cc[nH]c(C#N)n1)S(C)(=O)=O 1107576876 QZYVMGJRWADXNA-HMDXOVGESA-N 323.378 -0.712 30 20 DBED CC1(C(=O)NC[C@]2(C)CN(CC(=O)NCC#N)CCO2)CC1 1107959931 UDQDOJRUTWJDKP-OAHLLOKOSA-N 308.382 -0.367 30 20 DBED CC[C@]1(C(=O)NC[C@@]2(C)CN(CC#N)CCO2)CCNC1=O 1108008448 QJXPLVSHGWFWFE-GJZGRUSLSA-N 308.382 -0.367 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)[C@@]2(C)CCC(=O)NC2)C1 1108153319 NCERZPFVATWGGA-HOTGVXAUSA-N 307.394 -0.257 30 20 DBED C[C@@]1(CNC(=O)[C@H]2CC[C@@H](C(N)=O)C2)CN(CC#N)CCO1 1108217778 XRWQRWSJYJIENQ-TYNCELHUSA-N 308.382 -0.381 30 20 DBED C#CCCCC(=O)N[C@@H]1CC(=O)N(C2CN(C[C@H](C)O)C2)C1 1108538672 LJEWDPDHFIJGSI-QWHCGFSZSA-N 307.394 -0.428 30 20 DBED C[C@@H](CNc1ncc(C#N)cc1F)NC(=O)c1nnn(C)n1 1108642366 SOYFMGGLBHLSAQ-ZETCQYMHSA-N 304.289 -0.154 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C1(COC)CC1 1109519017 LYYLYOLPBWFKNK-RDBSUJKOSA-N 319.405 -0.116 30 20 DBED CN(CCCN=c1cc[nH]c(C#N)n1)C(=O)[C@@H]1CCN(C)C1=O 1109584182 YICVHKBPLMXHOI-NSHDSACASA-N 316.365 -0.491 30 20 DBED CC(=O)N[C@@H](C)C(=O)NCC1(Nc2cnc(C#N)cn2)CC1 1110056361 RKDGFLFIAINHRQ-VIFPVBQESA-N 302.338 -0.066 30 20 DBED C[C@]1(NC(=O)Cn2nccn2)CCN(c2cnc(C#N)cn2)C1 1110790096 RBVJDOXORALVJZ-AWEZNQCLSA-N 312.337 -0.275 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H]1CCNC1=O 1110894890 JKUXVNZKPQGNBR-RQJABVFESA-N 305.378 -0.506 30 20 DBED N#Cc1cnc(N2CCC[C@@H](NC(=O)CC(N)=O)CC2)cn1 1111977328 FYZXUTJGPFMZGJ-SNVBAGLBSA-N 302.338 -0.301 30 20 DBED CN(CCCN(C)c1ccc(C#N)nc1)C(=O)[C@H]1CNC(=O)N1 1112168288 GMSLPOIMJCHZFZ-CYBMUJFWSA-N 316.365 -0.081 30 20 DBED CC(C)OCC(=O)NC[C@@H]1CN(c2nccnc2C#N)C[C@@H]1O 1112709278 HPGDIPLURRTNTG-YPMHNXCESA-N 319.365 -0.313 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(c2nccnc2F)C[C@@H]1O 1112739423 YVPMDNOFXCWRJA-NEPJUHHUSA-N 322.340 -0.431 30 20 DBED C[C@H](Nc1cncc(C#N)n1)[C@@H](C)NC(=O)C1CS(=O)(=O)C1 1113182439 FUXRPPWTSAPIQF-DTWKUNHWSA-N 323.378 -0.302 30 20 DBED CO[C@@H]1CCCC[C@@H]1C(=O)N1CCN(CC(=O)NCC#N)CC1 1113701823 MBQFELYMLSSGGO-UONOGXRCSA-N 322.409 -0.024 30 20 DBED CO[C@H](C)CCC(=O)NC1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]12 1114168963 ZYXPTKZHRQFSLB-IJLUTSLNSA-N 308.382 -0.512 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)C(C)(C)COC)[C@@H]2C1 1114569433 ZKCCYFXQGALAAH-VXGBXAGGSA-N 307.394 -0.545 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)c3cnco3)[C@H]2C1 1114641884 LKTLGPSYYZXJKA-DCQANWLSSA-N 302.334 -0.528 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)CCc3cnn[nH]3)[C@H]2C1 1114858736 HKTWVCNPFAFSMW-JYAVWHMHSA-N 318.381 -0.914 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)COCCCOC)[C@@H]2C1 1115094885 BHBVNLMPNCYXAC-ZIAGYGMSSA-N 310.394 -0.264 30 20 DBED C[C@@H](CN(C)C(=O)Cn1cnnn1)Nc1ccc(C#N)nc1 1115603774 VSFYUHDRVICUNU-JTQLQIEISA-N 300.326 -0.101 30 20 DBED N#CCNC1(CNC(=O)CN2CCNC(=O)C2)CCCCC1 1115663526 RQKZEJNLGDUMAZ-UHFFFAOYSA-N 307.398 -0.650 30 20 DBED C[C@H](N)C[C@H](C)NC(=O)NCCN/C(O)=C1\N=CC=CC1=O 1118136951 ZLXHAHHQNLPROU-SCADTSMHSA-N 309.370 -0.062 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N[C@@H]1CCN(C(C)(C)C)C1=O 1118158381 OKDJQCVGLCKJIL-GHMZBOCLSA-N 311.382 -0.181 30 20 DBED C[C@H](O)C[C@@H]1CCCN1C(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1118184912 NSWWOLJZZRHNFP-HUBLWGQQSA-N 309.366 -0.375 30 20 DBED C[C@@H](CN(C)C(=O)c1nnn(C)n1)Nc1nccnc1C#N 1120502491 QDLJTBPJLQJTJK-QMMMGPOBSA-N 301.314 -0.556 30 20 DBED Cn1cccc1C(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1 1121067524 NPFJBQDTIMQEJW-JTQLQIEISA-N 300.322 -0.689 30 20 DBED COC(=O)c1cnc(N[C@H](CO)CNC(=O)C#CC2CC2)nc1 1121439079 DYINPOGZVRZWOK-LBPRGKRZSA-N 318.333 -0.434 30 20 DBED CC[C@@H](C(=O)NC[C@H](CO)Nc1nccnc1C#N)N(C)C 1121811677 DZKJVRJGRLPQJA-PWSUYJOCSA-N 306.370 -0.423 30 20 DBED COCCO[C@H](C)C(=O)NC[C@@H](CO)Nc1cnc(C#N)cn1 1122013677 UHWPBYFSSDCDHO-PWSUYJOCSA-N 323.353 -0.711 30 20 DBED CN(C[C@H](O)CNc1cnc(C#N)cn1)C(=O)c1ccnn1C 1124150861 YMDQPUCQYARSRF-LLVKDONJSA-N 315.337 -0.373 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)c1ccc[nH]1 1124174740 WIVBCGOXFVPXFE-JTQLQIEISA-N 300.322 -0.357 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]cc1C#N)C(=O)c1ccnnc1 1124754139 OILBMTKLSRWLOA-ZDUSSCGKSA-N 312.333 -0.290 30 20 DBED C#CCNC(=O)CC(=O)NCCNCc1cn(C(C)(C)C)nn1 1125999074 XDZWRJKFMPOLBZ-UHFFFAOYSA-N 320.397 -0.622 30 20 DBED C=C[C@](C)(O)CC(=O)NCCN[C@H](C)C(=O)Nc1ncccn1 1126366406 VAGNDVZUDFFLGH-ABAIWWIYSA-N 321.381 -0.164 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@H](C)c1ccnn1C 1127588543 DVRVDHNGAFWZTK-VXGBXAGGSA-N 307.398 -0.080 30 20 DBED C#CCNCc1nnc2n1CC[C@H](NC(=O)COCC)CC2 1127925073 NYUMVWPQUXTWFY-GFCCVEGCSA-N 305.382 -0.142 30 20 DBED C=CCOCC(=O)NCc1cnn2c1CN(C[C@H](C)O)CC2 1128259405 BUBTZTOBQTWUTL-LBPRGKRZSA-N 308.382 -0.102 30 20 DBED C#CCCN1CCn2ncc(CNC(=O)Cn3nccn3)c2C1 1128367198 SUMZOJUOYRZUFH-UHFFFAOYSA-N 313.365 -0.370 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)C[C@H]2CCCC(=O)N2)C1=O 1131097602 RXILWTIVTGHDCU-OLZOCXBDSA-N 322.409 -0.462 30 20 DBED C=CCOCC(=O)N1C[C@H]2C[C@@H]3CN(CC(=O)NC)C[C@]2(C1)O3 1131214220 QHDIFJGMNMPMFO-XJKCOSOUSA-N 323.393 -0.763 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)CCc1ccon1 1131344678 KSNYDZNMXQGKGH-UHFFFAOYSA-N 323.353 -0.675 30 20 DBED C=CCCN1CC[C@]2(C1)CN(C(=O)CNC(N)=O)C[C@H](C)O2 1131632265 MDDYMBRILCHEGC-WFASDCNBSA-N 310.398 -0.077 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)CNC(=O)OC)CC[C@@H]1C 1131839358 PVJVCAWXZWTEHK-RYUDHWBXSA-N 324.381 -0.939 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@@H]1CCCc2nc[nH]c21 1133663136 CKMVGHFHPIDCOG-LLVKDONJSA-N 303.366 -0.715 30 20 DBED C=C(C)CN(CC)C(=O)CNCCNC(=O)[C@@]1(C)CCNC1=O 1133754844 XUTXKIYVAFGIEC-INIZCTEOSA-N 324.425 -0.357 30 20 DBED N#Cc1ccc(CNCCNC(=O)[C@@H]2CC(=O)NC(=O)N2)s1 1134460796 JZCJJRMOGKNJAT-JTQLQIEISA-N 321.362 -0.576 30 20 DBED C[C@@H](C[C@@H](C)NCC#N)NC(=O)c1c[nH]nc1S(N)(=O)=O 1135460993 VVUPLKXWDDWLHL-SFYZADRCSA-N 314.371 -0.933 30 20 DBED C[C@H](C[C@@H](C)NC(=O)Cc1ncc[nH]1)NCC(=O)NCC#N 1135775436 ZNIUHDLCIZYMMH-GHMZBOCLSA-N 306.370 -0.535 30 20 DBED COC(=O)C1(C#N)CCN(C(=O)CCS(C)(=O)=O)CC1 1142532637 ZUJFFNQGKZSRPY-UHFFFAOYSA-N 302.352 -0.274 30 20 DBED C=CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)CCCC(N)=O 1146798375 QTJUSFWWLKAVAG-VXGBXAGGSA-N 312.414 -0.183 30 20 DBED CSCCC(=O)N1CC2(CCN(CC(=O)NCC#N)C2)C1 1146959362 QBBWUVSHAVGSMV-UHFFFAOYSA-N 310.423 -0.086 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)COCCCOC 1147064146 JNEIYBSLXNXVGJ-GFCCVEGCSA-N 301.387 -0.564 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)[C@@H](CC)OC)C2 1147116758 FLVGPYILCKAADB-CYBMUJFWSA-N 307.394 -0.305 30 20 DBED C=CCCCN1CCCO[C@@H](CNC(=O)c2nnn(C)n2)C1 1150091042 IYQRBFTTZSBPQM-LBPRGKRZSA-N 308.386 -0.003 30 20 DBED C#CCCN1CCCO[C@@H](CNC(=O)C[C@H]2CC(=O)NC2=O)C1 1150830668 IAFNRSJCNJXJNB-STQMWFEESA-N 321.377 -0.730 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1cnc(COC)s1 1153778511 DSHNDTADAUSMTO-SNVBAGLBSA-N 324.406 -0.253 30 20 DBED COCC(=O)NCCCNCC(=O)NCC#Cc1ccccc1 1153985499 VLRMFZHFCNTYDD-UHFFFAOYSA-N 317.389 -0.103 30 20 DBED C#CCN(CC)[C@H](C)CNC(=O)C[C@]1(C)CCS(=O)(=O)N1 1156612008 ARHSGJWCVCLKGY-OCCSQVGLSA-N 315.439 -0.082 30 20 DBED CC#CCN(CC)[C@H](C)CNC(=O)[C@@H]1CCS(=O)(=O)N1 1156948841 ATIVNJOHEDKMHP-NEPJUHHUSA-N 301.412 -0.472 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)c1ccn(C)c(=O)c1 1161179431 PDAPNUXKTXOWRO-GFCCVEGCSA-N 320.393 -0.215 30 20 DBED C#CCN1CC=C(CCNC(=O)c2cn(CC(N)=O)nn2)CC1 1161937681 DRYPKGMGDSTYST-UHFFFAOYSA-N 316.365 -0.851 30 20 DBED C=CCNC(=O)CNCCCNC(=O)Cc1cc(C)nn1C 1162451188 JAQDNJLCTICSOQ-UHFFFAOYSA-N 307.398 -0.331 30 20 DBED C=CCCCC(=O)NCCCNCC(=O)N1CCNC(=O)C1 1165535705 WIAMDRWMQHTNJU-UHFFFAOYSA-N 310.398 -0.603 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)c1cncc(C#C)c1 1166305375 VGTQPYILASVULK-CYBMUJFWSA-N 312.373 -0.090 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@H]1CCC[C@@H](C(N)=O)C1 1167505066 RGQJBXNZYAGWRH-OLZOCXBDSA-N 322.409 -0.877 30 20 DBED C#CCCN1CCO[C@@H]2CCN(C(=O)CN(C)C(C)=O)C[C@H]21 1176930235 QQQTUGZYBWJPPJ-HUUCEWRRSA-N 307.394 -0.210 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)CCOCCOC 1177301137 SBCVJBNARPYJDX-CYBMUJFWSA-N 313.398 -0.727 30 20 DBED C#CCCCC(=O)N1CC[C@H](NCCNS(C)(=O)=O)[C@@H]1C 1178581895 FTKFYYPLYDWLPL-STQMWFEESA-N 315.439 -0.082 30 20 DBED C=CCOCCN[C@H]1CCN(C(=O)c2nnc(O)nc2O)[C@H]1C 1179069919 YUEBBKOKTNLYIG-UWVGGRQHSA-N 323.353 -0.322 30 20 DBED CNS(=O)(=O)CC(=O)N1CC[C@@H](CNCC#N)[C@@H](C)C1 1185708663 BYWDFYXUOLFDCT-QWRGUYRKSA-N 302.400 -0.867 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)C(=O)NCC(F)(F)F)C1 1186646930 UFGDZMHMATUFJZ-SNVBAGLBSA-N 321.299 -0.495 30 20 DBED CNC(=O)[C@H](C)N1C[C@@H]2CCN(C(=O)CSCC#N)[C@@H]2C1 1186917407 NLOXRIHVJWJYBY-SDDRHHMPSA-N 310.423 -0.090 30 20 DBED CN(CC(=O)NCC#N)[C@H]1CCN(C(=O)C2=COCCO2)C1 1188717853 PGXTZYLAMUJVRA-NSHDSACASA-N 308.338 -0.953 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)CCCC(=O)NC)C1 1189770109 PDWMKOUVJCTIDD-ZDUSSCGKSA-N 322.409 -0.815 30 20 DBED COCC#CCN(C)[C@H]1CCN(C(=O)CN2CCOCC2=O)C1 1190684353 IFQNSOHCMUIXST-AWEZNQCLSA-N 323.393 -0.972 30 20 DBED COCC#CCN(C)[C@@H]1CCN(C(=O)[C@@]2(C)CNC(=O)C2)C1 1191478107 CTTILJXYOHOLCE-CZUORRHYSA-N 307.394 -0.305 30 20 DBED C=CCCO[C@H](C)C(=O)N[C@@H]1CN(CC(=O)N(C)C)C[C@H]1O 1191613931 CQOHQBFKPCGGLF-JHJVBQTASA-N 313.398 -0.783 30 20 DBED C#CCN(C)[C@@H]1CCN(C(=O)[C@@H](NS(C)(=O)=O)C(C)C)C1 1192735431 MAPWIDGGVLUYKD-OLZOCXBDSA-N 315.439 -0.274 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2[nH]c(C)cc2C)C1 1194128512 WDNNBVZXLFLJCX-CHWSQXEVSA-N 318.377 -0.844 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)c2cnnn2C)CC1 1195691481 KGTRNGQOOQRHDV-UHFFFAOYSA-N 306.370 -0.735 30 20 DBED CCC[C@H](C(=O)N1CCCN(CC#N)CC1)S(N)(=O)=O 1196648976 NZAYGLIOCVTVLR-LLVKDONJSA-N 302.400 -0.499 30 20 DBED C=CCOCCN1CCCN(C(=O)CN2C(=O)CCC2=O)CC1 1198058975 ZGZNWJCIVJHYMM-UHFFFAOYSA-N 323.393 -0.128 30 20 DBED C[C@H](C#N)C(=O)N1CCC(NCCN(C)S(C)(=O)=O)CC1 1199826146 HBHPIAZCMCENJJ-LLVKDONJSA-N 316.427 -0.382 30 20 DBED C=CCOCC(=O)N1CCCO[C@H](CNCc2cnn(C)n2)C1 1200108652 GJYVMVLLZOGLQD-CQSZACIVSA-N 323.397 -0.275 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)CCCF)CCCO1 1201177635 MHFWCDDJYCARKB-CYBMUJFWSA-N 313.373 -0.307 30 20 DBED C=CCn1cc(C(=O)N2CCCO[C@H](CNC[C@@H](C)O)C2)nn1 1201586119 XEISCXYTXKNQQG-CHWSQXEVSA-N 323.397 -0.334 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)c2cnn(C)n2)CCCO1 1201630260 VFFZUEROUPRAAV-CYBMUJFWSA-N 321.381 -0.714 30 20 DBED N#CCNC(=O)CN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)C(F)F)C2 1203844029 VTYQMYWPGGFVBZ-OPRDCNLKSA-N 300.309 -0.140 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)[C@@H](C)n2cncn2)[C@H](C)C1 1206878259 GAZNVNXLNRIMSN-JHJVBQTASA-N 318.381 -0.975 30 20 DBED C=CCCN1C[C@@H](NC(=O)CCS(=O)(=O)NC)[C@H](C)C1 1206970503 UPZVRPZKVJGZLO-VXGBXAGGSA-N 303.428 -0.062 30 20 DBED N#CCNC(=O)CN[C@H]1CCCN(C(=O)c2cccnn2)C1 1210255446 UZAYUABQKJKVTN-NSHDSACASA-N 302.338 -0.689 30 20 DBED CCNC(=O)CN1C[C@@H](NC(=O)C#CC(C)(C)C)[C@H](OC)C1 1212253439 FFUCMGXKAUPEAK-CHWSQXEVSA-N 309.410 -0.013 30 20 DBED CCCCOCC(=O)N1C[C@@H](NCC(=O)NCC#N)[C@H](C)C1 1214379998 JTLAIIHATFFSFZ-CHWSQXEVSA-N 310.398 -0.121 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1C 1215527488 CTNIJUWUQLKSLB-YIYPIFLZSA-N 323.393 -0.894 30 20 DBED C=CCOCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CNC(C)=O 1217212207 JICNXKLHYNOIOF-UONOGXRCSA-N 311.382 -0.763 30 20 DBED C=CCC[C@@H](C)N1C[C@H]2[C@@H](C1)OCCN2C(=O)CNC(N)=O 1217275503 IPPYOUYCPVRPJM-FRRDWIJNSA-N 310.398 -0.079 30 20 DBED C=C/C(C)=C/CC(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@@H]1O 1220170040 YMGGRARYJDADKJ-VVBALGDRSA-N 306.366 -0.690 30 20 DBED COCC#CCN1CC[C@@H]2CN(C(=O)c3cn(C)nn3)[C@@H]2C1 1221521298 JRZLQXDYOXNVOM-TZMCWYRMSA-N 303.366 -0.389 30 20 DBED C#CCOCCC(=O)NCC1CCN(Cc2nnn(C)n2)CC1 1223175177 YNKWDJJVQIAQOP-UHFFFAOYSA-N 320.397 -0.422 30 20 DBED Cc1ncoc1C(=O)NC1CCN(CC(=O)NCC#N)CC1 1226749337 CYKJHSNVHKXPQI-UHFFFAOYSA-N 305.338 -0.183 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1ccn(C)n1 1230138526 OUUANDAXYDBLNM-CHWSQXEVSA-N 317.393 -0.200 30 20 DBED C=CCCOCC(=O)NC1CCN([C@H]2CCC(=O)NC2=O)CC1 1230411738 QRLJULGJPXENQD-ZDUSSCGKSA-N 323.393 -0.035 30 20 DBED Cc1nonc1C(=O)NC1CCN(CC(=O)NCC#N)CC1 1230442412 JYZKZSWQVZFRHW-UHFFFAOYSA-N 306.326 -0.788 30 20 DBED CN(C[C@@H]1CCN1CC(=O)NCC#N)C(=O)c1cccc(O)n1 1231405859 REQOBGVRLRSNAF-NSHDSACASA-N 317.349 -0.427 30 20 DBED N#CCNC(=O)CNC(=O)NC[C@H](CO)CC1CCOCC1 1261100147 JQQDZBZVGYURJB-GFCCVEGCSA-N 312.370 -0.649 30 20 DBED C=C(CC)CNC(=O)C(=O)NC1CC(NS(C)(=O)=O)C1 1261405785 UPRUHEIJASBSIT-UHFFFAOYSA-N 303.384 -0.735 30 20 DBED Cc1cc(NC(=O)C(=O)N[C@@H](C)C(=O)N(C)C)n(CCC#N)n1 1320710394 WVZNZGIIIMGPLU-JTQLQIEISA-N 320.353 -0.363 30 20 DBED C#C[C@@H](CC)NC(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1 1321095585 VQTSCSFGEUREEL-VIFPVBQESA-N 309.347 -0.200 30 20 DBED C=CCOC[C@@H](NC(=O)c1cccc(C(=O)NC)n1)C(=O)OC 1321107495 SRXZGZDMBCJSJX-GFCCVEGCSA-N 321.333 -0.085 30 20 DBED CN(C)[C@H]1CCCN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)C1 1326529107 GFCFNWJHIGQGDE-WFASDCNBSA-N 308.382 -0.584 30 20 DBED C#CCSCCNC(=O)C(=O)N[C@@H]1C[C@@H](OCC)[C@H]1OC 1329182543 KOBNCFSHXSPIDY-UTUOFQBUSA-N 314.407 -0.222 30 20 DBED CC#CC[C@@H](CO)NC(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1 1329555456 UIZDLJBYSZBEGJ-GWCFXTLKSA-N 323.374 -0.393 30 20 DBED C#C[C@H](NC(=O)C(=O)NCc1ccc(C(N)=O)o1)[C@@H]1CCCO1 1329597751 OEHQHWYREGXHST-QWRGUYRKSA-N 319.317 -0.708 30 20 DBED COC(=O)N(C)CCNC(=O)C(=O)N1CCC[C@](C)(C#N)C1 1330200625 CTAXVSXOXLNBTO-CQSZACIVSA-N 310.354 -0.047 30 20 DBED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NCCCn1cncn1 1332441821 AJNAZEBUXYGNTO-QWHCGFSZSA-N 321.381 -0.118 30 20 DBED C=CCn1nnnc1N1CCC(O)(CN2CCOCC2)CC1 1335327037 GEDRDOXKKOQGOC-UHFFFAOYSA-N 308.386 -0.477 30 20 DBED C#CCN1CCC[C@H]1c1nnc(N2CCN(C)C(=O)C2)n1C 1339598284 BBXOYJAEHBTVLG-LBPRGKRZSA-N 302.382 -0.136 30 20 DBED Cc1nn(CCC#N)c(C)c1CCC(=O)NCCOCC(N)=O 1340993487 WVGIRHLCKRMIIC-UHFFFAOYSA-N 321.381 -0.036 30 20 DBED CCn1cc(-c2n[nH]cc2C(=O)NCC(=O)NCC#N)cn1 1346130466 DPYORIOBFLZJRX-UHFFFAOYSA-N 301.310 -0.337 30 20 DBED N#C[C@@H]1CCCN(C(=O)C(=O)N2CCN([C@H]3CCOC3)CC2)C1 1353035709 LGZUFOGUDDKRDN-KBPBESRZSA-N 320.393 -0.318 30 20 DBED N#Cc1cn(CCC(=O)N2CCc3c[nH]nc3C2)c(=O)nc1O 1362201902 PBVFUQIQNJLMSH-UHFFFAOYSA-N 314.305 -0.481 30 20 DBED COC(=O)C1(C#N)CCN(C(=O)[C@@H](O)c2cnn(C)c2)CC1 1362533548 DHVBJHBXFPEBMS-NSHDSACASA-N 306.322 -0.241 30 20 DBED CCOC(=O)C[C@H](O)Cn1c(=O)c(C#N)c(C)n(C2CC2)c1=O 1364615011 RSUJKCRBPFIFOH-NSHDSACASA-N 321.333 -0.161 30 20 DBED C[C@H](C#N)C(=O)N1CCC(O)(CNCC(=O)N2CCC2)CC1 1368678025 HFVRVEQPUOTDNY-GFCCVEGCSA-N 308.382 -0.679 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CCN(C(=O)C(C)(C)S(C)(=O)=O)C1 1372306145 WNUBJLGMQUZBBF-ZJUUUORDSA-N 315.395 -0.314 30 20 DBED C[C@@H](CNC(=O)[C@@H](C)C#N)NC(=O)C(C)(C)S(C)(=O)=O 1373073982 OWJSJVGZPQSEGI-IUCAKERBSA-N 303.384 -0.410 30 20 DBED C[C@H](C#N)C(=O)N(C)C[C@@H]1CCCN1C(=O)CN1CCOCC1 1380222738 ZHKCGHKMXZVHJH-KGLIPLIRSA-N 322.409 -0.072 30 20 DBED C[C@H](C#N)C(=O)N(C)CCNC(=O)[C@@H]1CCCCS1(=O)=O 1386941558 JGWCQXUEGZZNTK-MNOVXSKESA-N 315.395 -0.312 30 20 DBED CNC(=O)CCCC(=O)NC[C@]1(O)CCN(C(=O)[C@H](C)C#N)C1 1390429752 TVUPNVCLJZRBNU-IAQYHMDHSA-N 324.381 -0.858 30 20 DBED Cc1nnc(N2CCO[C@@H](C#N)C2)n1CC(=O)NCC1CC1 1390918530 LXBAMUGKJZYKQF-LBPRGKRZSA-N 304.354 -0.159 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CC[C@H](NC(=O)Cn2cnnn2)CC1 1390956473 MRGGCZUZBNPGBK-DCAQKATOSA-N 305.342 -0.624 30 20 DBED C[C@@H](CNC(=O)c1nc2ncccn2n1)NC(=O)[C@@H](C)C#N 1393047137 PMCATLNVJAVSBA-IUCAKERBSA-N 301.310 -0.482 30 20 DBED C[C@@H](C#N)C(=O)N(C)C[C@@H]1CCN(C(=O)CS(C)(=O)=O)C1 1408987282 SUJGIRAMQQJSRB-QWRGUYRKSA-N 315.395 -0.502 30 20 DBED CC(=O)NCC(=O)N1CC[C@@H]1CNC(=O)c1cc(C#N)c[nH]1 1410545428 DUOVACURRDRYFZ-LLVKDONJSA-N 303.322 -0.647 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1cc2cccn2cn1 1416772334 QWMWQCJPDPZFJK-PWSUYJOCSA-N 315.333 -0.299 30 20 DBED C[C@@H](C#N)C(=O)N(C)C1CCN(CCNS(C)(=O)=O)CC1 1419073582 PYLJRQLVZZVOBO-NSHDSACASA-N 316.427 -0.382 30 20 DBED N#CC[C@@H](O)CN1CCN(c2ccccc2S(N)(=O)=O)CC1 1422099412 HGEZPYKHVNDTOL-GFCCVEGCSA-N 324.406 -0.269 30 20 DBED N#Cc1cccc(CNC[C@H](O)CNC(=O)Cc2nc[nH]n2)c1 1422399190 MLPVZVOWGAXQMS-ZDUSSCGKSA-N 314.349 -0.514 30 20 DBED COCCN1CN(Cc2cc(O)n3ncc(C#N)c3n2)CC1=O 1434465281 CVYIZOPCIWIGBK-UHFFFAOYSA-N 316.321 -0.445 30 20 DBED C[C@H](C#N)C(=O)NCC1CCN(C(=O)Cc2nc[nH]n2)CC1 1453842256 RRVNZSWDZFCUMO-SNVBAGLBSA-N 304.354 -0.138 30 20 DBED Cn1cnn(CC(=O)OCCOC2(C#N)CCOCC2)c1=O 1525387920 SCUSEOTYRUJCAY-UHFFFAOYSA-N 310.310 -0.786 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CCN(C(=O)CCn2cnnn2)C1 1527257507 MFZKXRKXSUZKCS-MNOVXSKESA-N 305.342 -0.812 30 20 DBED C[C@H](NC(=O)[C@H](C)NS(=O)(=O)CC(C)(C)CC#N)C(=O)O 1571144286 IRYGDOLXJTZQJQ-IUCAKERBSA-N 319.383 -0.177 30 20 DBED C[C@@H](C(=O)O)C1CN(C(=O)CCn2cc(C#N)c(O)nc2=O)C1 1573400227 VHRVAJOBWIIDMA-MRVPVSSYSA-N 320.305 -0.610 30 20 DBED COC(=O)C1(C#N)CCN(C(=O)[C@@]23CNC[C@@H]2CCOC3)CC1 1578778741 VDQISYHULAYPLF-BLLLJJGKSA-N 321.377 -0.082 30 20 DBED N#C[C@@H]1CNCC12CC(C(=O)NCCN1C(=O)CCC1=O)C2 1580043022 GTJAWMLIDAHQKE-LOIXOFCESA-N 304.350 -0.609 30 20 DBED N#C[C@H]1CNCC12CC(C(=O)NCc1nnc3n1CCC3)C2 1580044009 VNQJHBYADMFAQH-VTWZXRTESA-N 300.366 -0.020 30 20 DBED Cc1cc(-c2nn[nH]n2)nc(NCCN(C)C(=O)[C@H](C)C#N)n1 1580741063 GVBSBOZUKIGPNO-MRVPVSSYSA-N 315.341 -0.005 30 20 DBED N#Cc1nc(NC(=O)c2cnc3cccnn23)[nH]c1-c1nn[nH]n1 1581860862 WYSQWVKEQOAURG-UHFFFAOYSA-N 321.264 -0.244 30 20 DBED C#CC[C@@H]1NC(=O)N([C@@H]2CCCCN(CC(=O)O)C2=O)C1=O 1588391178 CAPUDCDQKFYHEH-VHSXEESVSA-N 307.306 -0.604 30 20 DBED C#CCN(CC(=O)O)C(=O)C(=O)Nc1cn(C)nc1C(F)F 1588397881 XOAYZBYFRCSYNG-UHFFFAOYSA-N 314.248 -0.157 30 20 DBED C#CCn1ccc(CN(CCOC)Cn2cnc(C(=O)O)n2)n1 1588510388 FORBQDVVHUDIDM-UHFFFAOYSA-N 318.337 -0.088 30 20 DBED C=CC[C@H](CO)CNc1nc(O)n(C)c(=O)c1-c1nn[nH]n1 1588546022 UZACGFUSPFDUCI-ZETCQYMHSA-N 307.314 -0.738 30 20 DBED COCC#CCN(C)CCNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 1591362725 WSZRKPXVEXBVPW-UHFFFAOYSA-N 317.353 -0.494 30 20 DBED N#Cc1nc(NC(=O)CN2CCCCC2=O)[nH]c1-c1nn[nH]n1 1592683716 XRKQLCXBGFFJIG-UHFFFAOYSA-N 315.297 -0.588 30 20 DBED N#Cc1ccc(CC(=O)NS(=O)(=O)CCCC(=O)O)cn1 1601098832 YSLUQJRPFYEXAX-UHFFFAOYSA-N 311.319 -0.193 30 20 DBED C#C[C@@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)C1CCOCC1 1602688160 HHRZHRHVKSFSTD-SNVBAGLBSA-N 316.325 -0.997 30 20 DBED C#CCO[C@H](C)C(=O)NCCN(C)c1ccnc(C(=O)O)n1 1602726883 VYSPYYQOMWWBFJ-SNVBAGLBSA-N 306.322 -0.235 30 20 DBED C[C@@]1(C#N)CN(C(=O)[C@@H]2CCCN(CC(=O)O)C2=O)CCO1 1603290826 WSPXYVNOUNSCAE-QMTHXVAHSA-N 309.322 -0.549 30 20 DBED C[C@@H]1CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)C[C@H]1C(=O)O 1603416825 BTLGGWIZYREASV-PSASIEDQSA-N 320.305 -0.610 30 20 DBED CO[C@@H]1COCC[C@H]1CNc1cnc(C#N)c(-c2nn[nH]n2)n1 1605036102 DUZZYQOBVHBKSO-WCBMZHEXSA-N 316.325 -0.008 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC[C@@H](NC(=O)c2cn(C)cn2)C1 1713082062 XSNGHFFOJIZPQO-VXGBXAGGSA-N 305.382 -0.085 30 20 DBED C#CCNC(=O)CN(C)CCCNC(=O)[C@@H](C)[C@H]1CCC(=O)N1 1752071224 UNNRCMMGMSWREQ-QWHCGFSZSA-N 322.409 -0.911 30 20 DBED C#CCCN1C[C@@H]2CC[C@H](C1)N2C(=O)CNS(=O)(=O)CC 1752536190 QWNPPWYILRXNON-BETUJISGSA-N 313.423 -0.376 30 20 DBED CC#CCNC[C@H]1CCCN(C(=O)CCNS(C)(=O)=O)C1 1752798816 IOEBFJHQISRXEW-CYBMUJFWSA-N 315.439 -0.223 30 20 DBED C#CCNC(=O)CNC[C@@H]1CCN(C(=O)c2ncccn2)C1 1752953066 BKJRNOULUBEAMT-LBPRGKRZSA-N 301.350 -0.722 30 20 DBED C[C@H](CCNC(=O)Cc1cnn(C)c1)NCC(=O)NCC#N 1753002585 JHQSBFHPFAQNSE-LLVKDONJSA-N 306.370 -0.913 30 20 DBED C#CCNC(=O)CN(CC)CCNC(=O)[C@@H]1C[C@]12CCOC2 1753093273 YCDYKZCPJFXAKA-BBRMVZONSA-N 307.394 -0.400 30 20 DBED C=CCNC(=O)[C@H](C)N1CC(NC(=O)c2cnn(C)c2C)C1 1753370366 YCQITUDMBWUFEV-NSHDSACASA-N 305.382 -0.167 30 20 DBED COCC#CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@]1(C)CCNC1=O 1753425414 VFRCLPREVUSMSP-HEHGZKQESA-N 305.378 -0.553 30 20 DBED C#CCCN1CCO[C@H](CNC(=O)Cn2cc(C3CC3)nn2)C1 1753658031 WDUDKUADNQRFTN-CQSZACIVSA-N 317.393 -0.004 30 20 DBED C=CCNC(=O)CNC[C@@H](C)NC(=O)C[C@@H]1CCCC(=O)N1 1754234918 ZBDZOKAUPDZGKJ-NEPJUHHUSA-N 310.398 -0.558 30 20 DBED CC#CCCCC(=O)NC[C@]1(O)CCN(Cc2nnnn2C)C1 1754753840 DBIAHPHGNXSADB-OAHLLOKOSA-N 320.397 -0.543 30 20 DBED C[C@@H](CC(=O)NCC1(O)CN(CC(=O)NCC#N)C1)C1CC1 1754778688 GGIJRBAMVIUWDJ-NSHDSACASA-N 308.382 -0.775 30 20 DBED COCC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CNC(=O)N1 1754868976 RESNNSUELOASFX-MELADBBJSA-N 320.393 -0.617 30 20 DBED N#CCNC(=O)CNC[C@H]1CC[C@H](NC(=O)c2cc[nH]n2)CC1 1754949531 IDARIDBQLBEJQT-HAQNSBGRSA-N 318.381 -0.072 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H]1COCCN1Cc1nonc1C 1754967440 IIMCZFAWIJCWJR-STQMWFEESA-N 322.365 -0.267 30 20 DBED C=CCCOCC(=O)N1CCO[C@H](CNCc2nnnn2C)C1 1755017038 HJMAWZTWZAXVEG-GFCCVEGCSA-N 324.385 -0.880 30 20 DBED C=CCN1CC([C@@H](C)NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 1755387278 GLCBKSKXFQFNSY-SNVBAGLBSA-N 316.365 -0.306 30 20 DBED CCc1nnsc1C(=O)NC[C@@H](CO)NC(=O)C#CC1CC1 1756531638 CLHHPGPXCUEXEK-JTQLQIEISA-N 322.390 -0.279 30 20 DBED C#CCOCCC(=O)N[C@@H](CO)CNC(=O)[C@@H]1C[C@@H]2C[C@@H]2C1 1756543271 MQPQRFMUHDCUMR-ZOBORPQBSA-N 308.378 -0.334 30 20 DBED C=CCOCC(=O)N[C@H](CO)CNC(=O)c1c[nH]c(C)cc1=O 1756547695 JUCDEQJVVFSDKW-NSHDSACASA-N 323.349 -0.907 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@H](NC(=O)c2cn(C)nc2C)C1 1757163378 TXBUNIVLAKULJF-OLZOCXBDSA-N 322.365 -0.767 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H]1CCN(C(=O)Cn2cncn2)[C@@H]1C 1757511650 FTJWGOCEEBXEAK-UPJWGTAASA-N 319.365 -0.578 30 20 DBED C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCC(=O)N1C 1800195452 BATVDMHTAVEQHS-RNJOBUHISA-N 303.362 -0.121 30 20 DBED CO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)S)C2 1801046691 WKEGRQSVDXFANC-MJDLHHQISA-N 316.423 -0.071 30 20 DBED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)c1cccnn1)C2 1846196161 SVTKVDKJRCEXOU-UHFFFAOYSA-N 314.301 -0.618 30 20 DBED COC(=O)NCC(=O)N1CCCC12CN(C(=O)[C@H](C)S)C2 1846512825 AFCQTUBQVICRHL-VIFPVBQESA-N 315.395 -0.136 30 20 DBED C=C(C)CN1CCC(NC(=O)c2cn(CC(N)=O)nn2)CC1 80079776 DMRPHEZGRQDYJI-UHFFFAOYSA-N 306.370 -0.466 30 20 DBED C[C@@H](CC#N)OC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 113685807 TWVJGYCHFGAZFU-QMMMGPOBSA-N 305.294 -0.721 30 20 DBED CCc1c(C(=O)N[C@@H](C)C#N)cnc2c1c(=O)n(C)c(=O)n2C 133318465 IUPXNGNRTZZIQM-QMMMGPOBSA-N 315.333 -0.164 30 20 DBED CCOC1CC(C/N=C(\N)NCCOC)(N2CCOCC2)C1 193743053 JXYHMOMRLCRQPA-UHFFFAOYSA-N 314.430 -0.193 30 20 DBED C[C@](C#N)(NC(=O)COC(=O)CN1CCC(=O)NC1=O)C1CC1 215242333 GHNTYLWVBGELER-CQSZACIVSA-N 322.321 -0.720 30 20 DBED C/N=C(/NCC(=O)NC1CC1)N1CCO[C@@H](c2cnn(C)c2)C1 261825835 VAOYHJLBOPHMCG-CYBMUJFWSA-N 320.397 -0.353 30 20 DBED C[C@H]1CN(c2nccnc2C#N)CCN1CCC(=O)NC(N)=O 268252757 CHQWLBKIORPGJH-JTQLQIEISA-N 317.353 -0.556 30 20 DBED C[C@@H]1C(=O)NCCN1C(=O)C(=O)N1CCc2ccc(C#N)cc21 275798759 CXJLOLGJUBVINC-SNVBAGLBSA-N 312.329 -0.206 30 20 DBED C=CCSCCN1C(=O)[C@H]2CS(=O)(=O)CCN2C1=O 281102735 UETWYHBZIMXDPR-SECBINFHSA-N 304.393 -0.033 30 20 DBED N#Cc1ccc(/C=C/C(=O)NCCOCCS(N)(=O)=O)cc1 294353311 KLRRCZLOKHNOFR-AATRIKPKSA-N 323.374 -0.007 30 20 DBED C[C@H](C(O)=Nc1ncn(C)n1)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 329430306 IBMAWZFYJJPSCT-VFCFLDTKSA-N 319.321 -0.046 30 20 DBED CN1CCC[C@@H]1C(=O)N1CCN(/C(O)=N/[C@@H]2[C@H]3COC[C@H]32)CC1 330025268 KJBHKHXRNUUKNI-RQJABVFESA-N 322.409 -0.216 30 20 DBED Cn1c(=O)c2cc(/C(O)=N/[C@@H]3[C@H]4COC[C@H]43)cnc2n(C)c1=O 330060960 NORRZMVWZPCXKN-URLYPYJESA-N 316.317 -0.418 30 20 DBED CCNC(=O)C/N=C(/O)NC1CCN(S(=O)(=O)CC)CC1 330415891 OCDKLUAMVCNQFO-UHFFFAOYSA-N 320.415 -0.560 30 20 DBED CC[C@@H]1C(=O)NCCN1CC(=O)N/C(O)=N/[C@@H](C)COC 330897414 UFEAGTCROPELNQ-VHSXEESVSA-N 300.359 -0.738 30 20 DBED CN(C)CC(C)(C)CNS(=O)(=O)N1CCO[C@H](C#N)C1 336882154 BTAJVSTVNYWVBP-LLVKDONJSA-N 304.416 -0.367 30 20 DBED CCN(CCC#N)S(=O)(=O)N[C@H](C)CCS(C)(=O)=O 336939092 HXUOWUBWJLYEOH-SNVBAGLBSA-N 311.429 -0.120 30 20 DBED CC[C@@H](C#N)NC(=O)CCNS(=O)(=O)c1cn(C)c(C)n1 338929643 OMADFKIBOAKIPC-JTQLQIEISA-N 313.383 -0.185 30 20 DBED C=CCOC[C@H]1NC(=O)N(c2cc(C)n(CC(=O)NC)n2)C1=O 348474027 OJLLDLJTYIDRJI-SNVBAGLBSA-N 321.337 -0.435 30 20 DBED C=CCNC(=O)[C@H](C)S(=O)(=O)c1nnc(NC(C)=O)s1 350242566 SLMNCFJMUBEHCB-LURJTMIESA-N 318.380 -0.039 30 20 DBED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2C[C@H](F)C[C@@H]2CO)n1 356087570 KTSGGJOISADTMS-GHMZBOCLSA-N 323.328 0.205 30 20 DBED COC(=O)c1cc(CNC(=O)NCC(=O)NCC#N)oc1C 358317791 VKYZHTNQUYOURM-UHFFFAOYSA-N 308.294 -0.186 30 20 DBED N#Cc1cc(NC(=O)C(=O)NCCn2ncnn2)ccc1Cl 359378276 IADSNPXMSONUOO-UHFFFAOYSA-N 319.712 -0.047 30 20 DBED C=C[C@H](CO)NC(=O)N[C@H]1CC(=O)N(C)[C@@H]1c1ccnn1C 359470569 JVDTVUQRWYVHAJ-NRUUGDAUSA-N 307.354 -0.462 30 20 DBED C#CCCCS(=O)(=O)N1CCN(c2cnn(C)c2)C(=O)C1 376348489 GRQONFKBXCRGGJ-UHFFFAOYSA-N 310.379 -0.188 30 20 DBED N#CCNC(=O)CNC(=O)N[C@@H]1CCCC[C@@H]1N1CCOCC1 376376174 KMZCXZLWJMFACD-OLZOCXBDSA-N 323.397 -0.431 30 20 DBED C=CCNC(=O)CNC(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 378519536 LXYDYSXCBCUTAC-LBPRGKRZSA-N 316.361 -0.152 30 20 DBED C=C(C)CN(C)C(=O)C(=O)N1C[C@@H](N)[C@H](c2cnn(C)c2)C1 424491828 FZMJMWODQOFAHI-QWHCGFSZSA-N 305.382 -0.292 30 20 DBED C=CCCn1cc(C(=O)NC[C@@](C)(O)CN2CCOCC2)nn1 424698414 PSSLXJRZBUXMBD-OAHLLOKOSA-N 323.397 -0.333 30 20 DBED C#CCN1CCN(C(=O)CN2CCN(CCOCC)CC2)CC1 490778701 JIGVTPCWBNKLGY-UHFFFAOYSA-N 322.453 -0.582 30 20 DBED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CNC(=O)C2)c1 490949485 KSHZIMLRTAYJCD-NSHDSACASA-N 321.358 -0.784 30 20 DBED C#CCNC(=O)CCN1CCN(CC(=O)N2CCCC2)CC1 491201299 GGWAQAXXTYVKKR-UHFFFAOYSA-N 306.410 -0.634 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2ccc(C=O)[nH]2)CC1 491461383 DJERDNXABSGMNH-UHFFFAOYSA-N 302.334 -0.666 30 20 DBED C#CCN1CCN(C(=O)Cn2ccc(=O)c3cnn(C)c32)CC1 491701730 GGSGRBOGYIEEHG-UHFFFAOYSA-N 313.361 -0.488 30 20 DBED C#CCN1CCN(C(=O)CSc2nnc(O)n2CC)CC1 491761804 XFZZGRXEEABYFM-UHFFFAOYSA-N 309.395 -0.127 30 20 DBED CC1CC(C#N)(C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)C1 531750338 XAMNJMOZDQSNAC-UHFFFAOYSA-N 317.353 -0.716 30 20 DBED CN(CCC#N)S(=O)(=O)N[C@H](Cc1cnn(C)c1)C(=O)O 548224206 UKOVXHWDSGZOPB-SNVBAGLBSA-N 315.355 -0.904 30 20 DBED C=CCCCS(=O)(=O)N[C@H](CN1CCOCC1)C(=O)OC 555633944 XFPFMSVREHNRRH-GFCCVEGCSA-N 320.411 -0.254 30 20 DBED CN1C(=O)C(=O)N(CC(=O)N(C2CC2)C2(C#N)CCC2)C1=O 556454781 RRCUGQXHWGFLJK-UHFFFAOYSA-N 304.306 -0.156 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@H]1C=C[C@@H](C(=O)O)C1 563227202 TZZNLGOGFGMRAN-MNOVXSKESA-N 317.367 -0.288 30 20 DBED N#Cc1ccc(CS(=O)(=O)N[C@]2(C(N)=O)CCOC2)cc1 567752387 ILJSOJYJHGUJGP-CYBMUJFWSA-N 309.347 -0.378 30 20 DBED C=CCSCCNC(=O)C(=O)N[C@H](C)[C@@H]1CN(C)CCO1 586813218 APZZALFCWBNEGP-NEPJUHHUSA-N 315.439 -0.143 30 20 DBED CN1C(=O)N[C@@]2(CCC[C@@H]2CN=c2cc[nH]c(C#N)n2)C1=O 594553076 RHTCQDIUVYQPLR-YMTOWFKASA-N 300.322 -0.097 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)NCc1nc(C(N)=O)cs1 594860652 AAEZRYJZHCQPFU-SSDOTTSWSA-N 317.396 -0.190 30 20 DBED C[C@H]1CO[C@H](C)CN1CCNC(=O)NCCn1cnc(C#N)n1 596598319 LBOGGXDZXWVUNV-NWDGAFQWSA-N 321.385 -0.442 30 20 DBED CC#CC[C@@H](CO)NC(=O)c1cc(S(N)(=O)=O)oc1C 649181907 LHFWKRAOZYBVIU-VIFPVBQESA-N 300.336 -0.260 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC[C@@H](C)C(=O)O)C1=O 656001123 YQPFYOQRQBMPHG-ZJUUUORDSA-N 311.338 -0.931 30 20 DBED C=C(C)COCCNC(=O)N1CCN(CC(=O)N(C)C)CC1 676299296 JAJULYDUBOPXAZ-UHFFFAOYSA-N 312.414 -0.006 30 20 DBED N#C[C@@H]1CN([C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)CCO1 737679811 SWAKMQGCTPLINZ-NEPJUHHUSA-N 313.321 -0.383 30 20 DBED C[C@H]1CN(C(=O)C(=O)NCCNc2ncccc2C#N)CCO1 774176692 KRTSPRDFOIEOSC-NSHDSACASA-N 317.349 -0.271 30 20 DBED C#C[C@H](NC(=O)Cn1[nH]cc2c(=O)ncnc1-2)[C@@H]1CCCO1 775329757 NEKDPRNKNCIRDV-QWRGUYRKSA-N 301.306 -0.632 30 20 DBED NC[C@@H]1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 832544844 QKRHFLMUVSRFKL-JTQLQIEISA-N 322.390 -0.468 30 20 DBED C#CCSCCNC(=O)N1CCC[C@H](N2CCNCC2=O)C1 841831063 ANQYTSUTUMSVTA-ZDUSSCGKSA-N 324.450 -0.041 30 20 DBED CCOC(=O)CON=C(C(=O)N(C)C1(CO)CC1)c1cc[nH]n1 854435999 LIEHCBUTDXAEEB-UHFFFAOYSA-N 324.337 -0.323 30 20 DBED C#CCCN(CCOC)C(=O)Cn1[nH]cc2c(=O)ncnc1-2 856388031 HDPZMCMAVWMUQI-UHFFFAOYSA-N 303.322 -0.431 30 20 DBED C#CCn1ccc(CN(CC)C(=O)CN2CC(=O)N(C)C2=O)n1 861394578 SNENBDICVGNFIU-UHFFFAOYSA-N 317.349 -0.241 30 20 DBED N#C[C@H]1CN(CN2C(=O)c3nccnc3C2=O)CCN1C1CC1 872626265 GFCATXUYSLTCEE-NSHDSACASA-N 312.333 -0.298 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)[C@@H]1CNC(=O)C[C@H]1C(F)(F)F 873456861 VKOCCPFSXUVHQA-DJLDLDEBSA-N 320.267 -0.018 30 20 DBED C#CCSCC(=O)N1CCC(NS(=O)(=O)NC)CC1 897619274 LXHKROGGHIYYHZ-UHFFFAOYSA-N 305.425 -0.602 30 20 DBED O=C(NCC#CCO)NC[C@H](N1CCOCC1)C(F)(F)F 923769072 KSHBARMOSQIOLK-JTQLQIEISA-N 309.288 -0.456 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2cnnn2C)C1 937892265 CTLUIJCEIHSIRU-LOWVWBTDSA-N 319.365 -0.263 30 20 DBED C[C@@H](C#N)C(=O)N1CCCN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1 941485080 PQQHUKYPEWXZAV-BFHYXJOUSA-N 322.409 -0.074 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@@H](NC(=O)C2CC(=O)NC(=O)C2)C1 941554990 CWCARYVINQCLGF-LLVKDONJSA-N 321.377 -0.032 30 20 DBED CO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1NC(=O)c1c(C)ncn1C 942155761 JPPCAWBHUJDVLI-YUSALJHKSA-N 319.365 -0.156 30 20 DBED C[C@@H]1CN(CC#N)CC[C@H]1NC(=O)c1cc(=O)n2[nH]cnc2n1 944135636 OWCCLAJDWDEBCE-NXEZZACHSA-N 315.337 -0.619 30 20 DBED Cn1ncc(C(=O)NC2CCN(C(=O)C#CC3CC3)CC2)n1 946690528 PBYQVLKRSRIWGA-UHFFFAOYSA-N 301.350 -0.051 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2[C@H]3C[C@H]2N(C(=O)COC)C3)nn1 947165743 RKYCPZOEJFIAGJ-UFGOTCBOSA-N 305.338 -0.560 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CCN(C(=O)C(N)=O)CC1 953983046 YDZZXTKMDCISLV-OLZOCXBDSA-N 323.393 -0.098 30 20 DBED C#CCCN1C[C@H](O)[C@H](CNC(=O)c2cn(C)ccc2=O)C1 958250141 XQGWGVUNJZCOIR-DOMZBBRYSA-N 303.362 -0.569 30 20 DBED N#CCN1C[C@H](O)[C@H](CNC(=O)c2cnn3cccnc23)C1 958308939 DEULHPPIEMRJOK-PWSUYJOCSA-N 300.322 -0.725 30 20 DBED C#CCCN1C[C@H](O)[C@H](CNC(=O)c2cnc(O)cc2OC)C1 958412610 GWJADIDCLQBIGW-YPMHNXCESA-N 319.361 -0.158 30 20 DBED C#CCCN1C[C@@H](O)[C@H](CNC(=O)c2nccn3ccnc23)C1 958418890 XAIAHRSDXMULJH-CHWSQXEVSA-N 313.361 -0.225 30 20 DBED C#CCN1C[C@H](CNC(=O)c2c(OC)ccnc2O)[C@@H](O)C1 958593765 BMDGVVXXQHJOAT-QWRGUYRKSA-N 305.334 -0.549 30 20 DBED Cc1nn(C)cc1C(=O)N(C)[C@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1O 958753079 VZWNUZHJQSNQFS-ICCXJUOJSA-N 319.365 -0.468 30 20 DBED Cc1nc2n(n1)C[C@H](C(=O)NC1[C@@H]3CN(CC#N)C[C@@H]13)CC2 961316994 CDHDUNIVZJDYOG-IJLUTSLNSA-N 300.366 -0.281 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CN(C(=O)c3ccc[nH]3)C[C@@H]2O)c1 962140242 USQQSIFFFDFUCO-OLZOCXBDSA-N 313.317 -0.170 30 20 DBED C#CCNC1CCC(N(C)C(=O)Cn2c(O)nnc2O)CC1 964275462 BRNZIKXXDZQYSE-UHFFFAOYSA-N 307.354 -0.318 30 20 DBED CN(CC#N)[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 971526020 SRUUHBHTFPHTIG-VXGBXAGGSA-N 316.365 -0.181 30 20 DBED CC#CCN1CCO[C@@]2(CCN(C(=O)[C@@H]3CC(=O)N(C)C3)C2)C1 972409716 SPXYKJOUAHFKPF-PBHICJAKSA-N 319.405 -0.209 30 20 DBED CN1CC[C@@H](C(=O)N(C)C[C@@H]2CCN2C(=O)C#CC2CC2)C1=O 978217423 WPCKGGGKCLVTMB-UONOGXRCSA-N 317.389 -0.063 30 20 DBED C#CCN[C@H]1CCC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 981099161 UVYIIEPOJSKKGK-WDEREUQCSA-N 304.354 -0.973 30 20 DBED C=CCCn1cc(C(=O)N2C[C@H](NCC(N)=O)C[C@@H]2C)nn1 989543364 KREUIVSXGRHEAL-WDEREUQCSA-N 306.370 -0.468 30 20 DBED N#Cc1ccc(C(=O)NC2CN(C(=O)[C@@H]3CCC(=O)NC3)C2)[nH]1 990869181 UMKRMJNFPFXNOV-SECBINFHSA-N 315.333 -0.647 30 20 DBED C#Cc1ccc(C(=O)N2CC(NC(=O)Cn3ccnc3)C2)cn1 994923510 NTJDJFPURBKKGC-UHFFFAOYSA-N 309.329 -0.100 30 20 DBED C=C(C)C(C)(C)C(=O)N1CC(NC(=O)C[C@@H]2CC(=O)NC2=O)C1 995295660 SYOKXCYGDLGPPC-SNVBAGLBSA-N 321.377 -0.032 30 20 DBED COCCN1C[C@@H](C(=O)N2C[C@@H](NCC#N)C(C)(C)C2)CC1=O 995874298 UBKVDMCPIWHAQE-QWHCGFSZSA-N 322.409 -0.169 30 20 DBED C#CCN[C@@H]1CN(C(=O)Cn2ccc(O)nc2=O)CC1(C)C 996010389 VOUCOECJTOMUNF-LLVKDONJSA-N 304.350 -0.591 30 20 DBED C=CC(C)(C)C(=O)N1CC(NC(=O)Cn2c(O)nnc2O)C1 997257615 GVKCWRRLTGLYBZ-UHFFFAOYSA-N 309.326 -0.772 30 20 DBED N#CCN[C@H]1CN(C(=O)Cn2ncnn2)CC[C@H]1C(F)(F)F 998259739 KOIPLXCAVOWTAX-BDAKNGLRSA-N 317.275 -0.434 30 20 DBED CC#CCN1CC=C(CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 1001141595 JUTXYVPRWPGSFZ-UONOGXRCSA-N 305.378 -0.209 30 20 DBED N#Cc1c[nH]c(C(=O)NCC2CN(C(=O)[C@@H]3COCCO3)C2)c1 1001333280 AXWOKNKSZQFSFY-ZDUSSCGKSA-N 318.333 -0.510 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H]2CCCCCN2C(=O)C(N)=O)c1 1005395734 PUJBJSYGYFFORB-LLVKDONJSA-N 317.349 -0.127 30 20 DBED C[C@H](C#N)C(=O)N1CC([C@@H](C)NC(=O)c2c[nH]c(=O)cn2)C1 1006736498 FYJDIKBTIATINW-RKDXNWHRSA-N 303.322 -0.494 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CC[C@H]1CN2C(=O)Cn1ncnn1 1007335935 VZUGOYJLQZXSQA-MXWKQRLJSA-N 303.326 -0.965 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCCN(C(=O)[C@H]3CCNC3=O)C2)C1 1010837408 QMQJXPVUSGJXNU-RYUDHWBXSA-N 318.377 -0.267 30 20 DBED N#Cc1ccc(C(=O)N2CCN(C(=O)[C@@H]3CCNC3=O)CC2)[nH]1 1011020394 REPHEJYNRMTUDX-LLVKDONJSA-N 315.333 -0.693 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C(=O)[C@H]2CCS(=O)(=O)C2)CC1 1011495029 AZIQZONJCDDORY-QWRGUYRKSA-N 313.379 -0.748 30 20 DBED CC#CCN1CC[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 1015864891 KLVRUVOBELZBSW-NSHDSACASA-N 314.349 -0.715 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCN(C(=O)CS(C)(=O)=O)C2)C1 1019361640 NBNMLCOFNIOQLE-SNVBAGLBSA-N 313.379 -0.748 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCN(C(=O)[C@@H]3CCN(C)C3=O)C2)C1 1019364552 GUYLGSXRTFIOIS-NWDGAFQWSA-N 318.377 -0.315 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CC34CC4)C[C@H]2O)c1 1023335624 PENHEMLOMBHVAC-CYZMBNFOSA-N 314.345 -0.012 30 20 DBED CN1CC(=O)N(CC(=O)N2C[C@@H]3CC[C@@H](NCC#N)[C@H]3C2)C1=O 1026415355 FVWRUSHNPKIFPB-SDDRHHMPSA-N 319.365 -0.769 30 20 DBED C=CCN(C)[C@@H]1CCCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)C1 1027605193 VATXHKOYSGRUAU-LLVKDONJSA-N 322.365 -0.484 30 20 DBED C=CCN(C)[C@H]1CCCN(C(=O)CN2C(=O)CN(C)C2=O)C1 1027672965 AXRFHWJUGZQDPV-LBPRGKRZSA-N 308.382 -0.011 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)c3ccnn3C)C2)C1=O 1030146112 MCKNSSVUSBJHPM-ZDUSSCGKSA-N 303.366 -0.379 30 20 DBED C[C@H](C(=O)NC1CC1)N1CC(NC(=O)c2ccc(C#N)[nH]2)C1 1030223178 RZPXMZOEJXHXEJ-SECBINFHSA-N 301.350 -0.033 30 20 DBED C#CCN1C[C@@H]2C[C@H]1CN2C(=O)CN1C(=O)CC(C)(C)C1=O 1032402781 JINJYFIJRRMOQL-RYUDHWBXSA-N 303.362 -0.310 30 20 DBED CC#CCN1CCO[C@@H](CNC(=O)[C@@H]2CC(=O)N(CC)C2)C1 1035389394 CGHAGAPNOKRSEV-KGLIPLIRSA-N 307.394 -0.305 30 20 DBED Cn1nnc2ccc(C(=O)NC[C@H]3CN(CC#N)CCO3)cc21 1035589215 JCZNRLCHBQPSEX-LBPRGKRZSA-N 314.349 -0.078 30 20 DBED N#CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1cn(-c2cccnc2)nn1 1037436592 MQFGCVIDOLURME-DDTOSNHZSA-N 309.333 -0.012 30 20 DBED C#CCN[C@H]1CCN(C(=O)CN2CC(=O)N(C)C2=O)C[C@@H]1CC 1037965719 KVWPAJHWXJJUJL-STQMWFEESA-N 320.393 -0.270 30 20 DBED N#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CC(=O)NC1=O 1039477962 RJFFCDIXJXCSKR-TUAOUCFPSA-N 304.350 -0.372 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)CCc2cn[nH]c2)C1 1039829506 ZJJCIIBHTMYUNW-ABAIWWIYSA-N 319.365 -0.418 30 20 DBED C[C@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)CSCC#N)C1 1040759703 CIGBALACJPXYDM-MFKMUULPSA-N 310.379 -0.518 30 20 DBED C[C@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)c2cnns2)C1 1040762248 GYWRJSQZTGEGQP-PELKAZGASA-N 309.351 -0.609 30 20 DBED CC(=O)N1CCO[C@H](C(=O)N2CC[C@]3(CCN(CC#N)C3)C2)C1 1041812506 ZQVWKDKIAHNSSS-HOCLYGCPSA-N 320.393 -0.318 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)[C@H](C)OCC2CC2)C1 1041854622 VJUJRBFAHHECHT-QWRGUYRKSA-N 309.366 -0.349 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)[C@@H](CC)OC)C1 1041914278 WOBSLCFNBLSYEV-GFCCVEGCSA-N 312.366 -0.859 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)c2cccc(O)n2)C1 1042039922 LXZHRJQNTCQYQF-UHFFFAOYSA-N 321.333 -0.707 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)c2ccc(C#N)[nH]2)C1 1042608301 BGCQHIDUOACHFU-VIFPVBQESA-N 301.306 -0.651 30 20 DBED C=CCC(C)(C)C(=O)N1CC(O)(CNC(=O)c2ncn(C)n2)C1 1042895479 KPXMNQPDMHTWGH-UHFFFAOYSA-N 321.381 -0.280 30 20 DBED Cc1nocc1C(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042959991 AIRJZGNHKSZAAY-UHFFFAOYSA-N 303.318 -0.300 30 20 DBED CN1CC[C@H](C(=O)N2CC(O)(CNC(=O)C#CC(C)(C)C)C2)C1 1042969938 CVQOENYVUPARFN-ZDUSSCGKSA-N 321.421 -0.323 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2nccs2)C1 1043040804 XAMUHJALYJFTRQ-JTQLQIEISA-N 323.374 -0.516 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)Cc2n[nH]c(C)n2)C1 1044460452 RVWYNEXSOVFJBS-UHFFFAOYSA-N 321.381 -0.443 30 20 DBED Cn1[nH]c(CNC[C@@H]2CCCN2C(=O)C#CC2CC2)nc1=O 1045030574 LHUQHJNIZBNWQS-LBPRGKRZSA-N 303.366 -0.398 30 20 DBED C=CCCCC(=O)NCC1(O)CN(C(=O)c2cn(C)nn2)C1 1045451556 VGXCWTKAXHHWTB-UHFFFAOYSA-N 307.354 -0.526 30 20 DBED CCOc1nc(C(=O)N2CC(O)(CNC(=O)[C@@H](C)C#N)C2)co1 1045546627 OVQGBTXKTZNWKL-VIFPVBQESA-N 322.321 -0.464 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)Cc2ccc(F)cn2)C1 1045554791 JOEQXDCRGRVGAL-SNVBAGLBSA-N 320.324 -0.388 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@@H](C)C#N)C1 1045555326 PVWVBWVFJVTBNA-TUAOUCFPSA-N 307.350 -0.573 30 20 DBED N#Cc1nc(=N[C@H]2C[C@@H](CNC(=O)[C@@H]3COCCO3)C2)cc[nH]1 1046269620 VCXASECEAIMEHA-TUAOUCFPSA-N 317.349 -0.508 30 20 DBED C=CCN1CC[C@@](C)(NC(=O)c2cc(=O)n3[nH]cnc3n2)C1 1046769209 PIJGPOUBTJLNLZ-CQSZACIVSA-N 302.338 -0.202 30 20 DBED C#CCO[C@H](C)C(=O)N(C)[C@H]1CN(C(=O)c2ncc[nH]2)C[C@@H]1O 1048853124 YOUNENBJMWDIPC-WOPDTQHZSA-N 320.349 -0.908 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)[C@@H]1CC(=O)N(CC(C)C)C1 1050945262 KCJDEXSAHGFDIK-CABCVRRESA-N 321.421 -0.059 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC2(C1)CN([C@@H](C)C(=O)NC1CC1)C2 1053187217 GZUKCBGRHNTMRG-RYUDHWBXSA-N 320.393 -0.274 30 20 DBED C=CCN1CC2(CC[C@H](CNC(=O)[C@H]3CN(C)C(=O)N3)O2)C1 1053642763 JQVGKMABNJUCAI-VXGBXAGGSA-N 308.382 -0.454 30 20 DBED C=CCO[C@H](C)C(=O)N1C[C@@H]2CN(C(=O)CNC(N)=O)C[C@@H]2C1 1055154994 NGCYSOBRFJFPIM-UTUOFQBUSA-N 324.381 -0.837 30 20 DBED Cc1nc(N2C[C@H]3[C@H](NC(=O)Cn4cnnn4)[C@H]3C2)ccc1C#N 1056130069 YNCYQAUWNSCBTJ-JYAVWHMHSA-N 324.348 -0.501 30 20 DBED C#CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)c1ccon1 1057095325 YIPQBNSRTZOXBK-NSHDSACASA-N 309.322 -0.736 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)[C@@H](C)OCC=C 1057196789 WLZZQHKUADJXPT-CYBMUJFWSA-N 314.382 -0.283 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)Cc1ccon1 1057240781 VQFCMOVLPJSRAQ-UHFFFAOYSA-N 307.350 -0.186 30 20 DBED N#Cc1cnc(N2CCC(NC(=O)[C@@H]3CNC(=O)N3)CC2)cn1 1057934082 NEDYJFHLKJTJEX-NSHDSACASA-N 315.337 -0.885 30 20 DBED C[C@@H](N=c1cc[nH]c(C#N)n1)[C@@H]1CCCCN1C(=O)C(N)=O 1058023721 LBEULNNCQNEDFJ-ZJUUUORDSA-N 302.338 -0.563 30 20 DBED N#Cc1cnccc1N1CCC[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 1058231535 KASVORDFESLTCL-RYUDHWBXSA-N 314.349 -0.280 30 20 DBED N#Cc1nccc(N2CC[C@@H](NC(=O)C[C@@H]3CCC(=O)N3)C2)n1 1058396103 FCMRBRXKQYPYSD-WDEREUQCSA-N 314.349 -0.288 30 20 DBED N#Cc1cnc(N2CC[C@@H](NC(=O)C[C@H]3CCC(=O)N3)C2)cn1 1058396562 PJXLOJYAAMYYBL-GHMZBOCLSA-N 314.349 -0.288 30 20 DBED C[C@@H](C#N)C(=O)NCC[C@H]1CCN(C(=O)CS(C)(=O)=O)C1 1059272056 OHKSBUGNRRGUFZ-QWRGUYRKSA-N 315.395 -0.455 30 20 DBED C[C@]1(C(=O)N[C@H]2C[C@H](Nc3nccnc3C#N)C2)CCNC1=O 1059409901 DVGLFNBDIZOJFU-YHAQOWFVSA-N 314.349 -0.066 30 20 DBED C=CCO[C@H](C)C(=O)N1CCOC[C@H]1CNC(=O)CCOC 1061169113 WAHRTYBZHYKRTL-CHWSQXEVSA-N 314.382 -0.042 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)CCn1cncn1 1061285279 HXUGLHDHRIYSJY-RYUDHWBXSA-N 320.353 -0.829 30 20 DBED C=CCO[C@H](C)C(=O)N1CCOC[C@@H]1CNC(=O)c1nc[nH]n1 1061766491 LBEOCYCCCULJGE-MNOVXSKESA-N 323.353 -0.647 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCOC[C@@H]1CNC(=O)c1cnon1 1061806437 ODYJDYCWQJEMPA-IINYFYTJSA-N 324.337 -0.646 30 20 DBED C=CCCC(=O)N1CCOC[C@@H]1CNC(=O)Cn1cncn1 1061915127 VPHDQQLQLGFYAR-LBPRGKRZSA-N 307.354 -0.412 30 20 DBED N#Cc1cccnc1N1CCO[C@H](CNC(=O)c2nc[nH]n2)C1 1063639981 WANRJHYRJVAPIF-LLVKDONJSA-N 313.321 -0.293 30 20 DBED N#Cc1nc(=NC[C@@H]2CCCN2C(=O)[C@@H]2CCC(=O)N2)cc[nH]1 1064937893 RAJINPSDASGQRV-QWRGUYRKSA-N 314.349 -0.548 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@H](CNC(=O)CCCN(C)C)C1 1065556297 GGZWVMACQAZOOM-QWHCGFSZSA-N 310.398 -0.169 30 20 DBED COC[C@@H](OC)C(=O)N1CCO[C@H](CNC(=O)C#CC2CC2)C1 1065590628 COTIYABJJGMTOL-ZIAGYGMSSA-N 324.377 -0.595 30 20 DBED N#Cc1ccc(NC[C@H]2CN(C(=O)c3cnn[nH]3)CCO2)nn1 1066691455 SVZPBOPGNFFHEX-JTQLQIEISA-N 314.309 -0.581 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@@H](CNC(=O)c3cncnc3)C2)nc1 1067665891 VCKPJYIRVJHNEK-UONOGXRCSA-N 324.344 -0.030 30 20 DBED C[C@H](Nc1cnc(C#N)cn1)[C@@H]1CN(C(=O)CC(N)=O)CCO1 1068227641 NXDAJRRAKZDPMF-ONGXEEELSA-N 318.337 -0.749 30 20 DBED C=CCCC1(C(=O)N2CCOC3(CN(C(=O)C(N)=O)C3)C2)CC1 1068456884 BTEPSKMNLGLPLG-UHFFFAOYSA-N 321.377 -0.342 30 20 DBED C#CCCCC(=O)N1CC2(C[C@@H](NC(=O)CC(=O)NC)CO2)C1 1068826982 PPPNEDYLSOHOQE-GFCCVEGCSA-N 321.377 -0.588 30 20 DBED CCC1(NC(=O)C#CC2CC2)CCN(C(=O)CNC(N)=O)CC1 1069158334 KPFUESJKTWQMGI-UHFFFAOYSA-N 320.393 -0.045 30 20 DBED N#Cc1nc(=NC[C@@H]2CC[C@@H](NC(=O)c3nc[nH]n3)C2)cc[nH]1 1069481829 XSXNJHXLPHHPGE-NXEZZACHSA-N 312.337 -0.101 30 20 DBED C=CCO[C@H](C)C(=O)N1CC[C@@]2(CCCN(C(=O)C(N)=O)C2)C1 1069775964 HFNZSXVUCIMZCF-MLGOLLRUSA-N 323.393 -0.096 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)Cc2cc[nH]n2)C1 1069904669 LGTXPRYYDCGBMS-OLZOCXBDSA-N 301.354 -0.229 30 20 DBED N#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2ccc(F)cn2)C1 1069912159 PZTKKCSKGJRKOW-OLZOCXBDSA-N 315.312 -0.009 30 20 DBED N#CCN1C[C@H]2C[C@H]3CN(C(=O)CCc4nc[nH]n4)C[C@@]3(C1)O2 1070781645 KXBFFVMRWKHJDC-YWPYICTPSA-N 316.365 -0.437 30 20 DBED C[C@H](C(N)=O)N1C[C@H]2C[C@H]3CN(C(=O)C#CC4CC4)C[C@@]3(C1)O2 1070797872 CPMYCGTWOZAMJH-ABYLEIOUSA-N 317.389 -0.425 30 20 DBED C=CCCCC(=O)N[C@H]1CN(C(=O)Cn2cnnn2)C[C@H]1C 1071554175 REXKADXYVLCXIF-NEPJUHHUSA-N 306.370 -0.008 30 20 DBED CC#CCN1C[C@@H](NC(=O)CN2CCOCC2=O)CC[C@H]1C 1071575244 UFXHDGONVZCYSN-KGLIPLIRSA-N 307.394 -0.162 30 20 DBED C=C(C)CN1CCCO[C@H](CNC(=O)[C@H]2CN(C)C(=O)N2)C1 1073727116 SZGQEKZNJIFCAF-CHWSQXEVSA-N 310.398 -0.207 30 20 DBED C#CCCN1CCO[C@@H]2CCN(C(=O)CCn3ccnn3)C[C@@H]21 1074226610 SXYLPQHGDURHPU-LSDHHAIUSA-N 317.393 -0.007 30 20 DBED Cn1cncc1CC(=O)N1CC[C@@H]2OCCN(CC#N)[C@@H]2C1 1074384947 PGOHWQCFQVKAMF-KGLIPLIRSA-N 303.366 -0.212 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CCN(C(=O)c2ccnn2C)CC1 1074507517 OVTMXKABZMVFAK-NSHDSACASA-N 319.365 -0.337 30 20 DBED CC(C)C#CC(=O)NCC[C@H](C)NC(=O)CCn1cnnn1 1076412331 AGVMTHSUIXHUMX-LBPRGKRZSA-N 306.370 -0.266 30 20 DBED CNC(=O)C1(C(=O)N[C@@H](C)CCNC(=O)C#CC2CC2)CC1 1076423675 UAUBKYNGUGOKQT-NSHDSACASA-N 305.378 -0.063 30 20 DBED Cc1cccc2c1C[C@H](C(=O)N[C@@H]1CN(CC#N)C[C@H]1O)O2 1078016997 MYUUFHKEHGWYBY-UMVBOHGHSA-N 301.346 -0.017 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H](C)CCNC(=O)C1(C(N)=O)CC1 1078114264 XVMOSNNURJKWQV-WDEREUQCSA-N 311.382 -0.146 30 20 DBED C[C@@H](CCNC(=O)[C@H](C)C#N)NC(=O)c1nnc(O)nc1O 1078131015 UAHIFVJOJOGRRS-RQJHMYQMSA-N 308.298 -0.933 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)c2c(OC)ncnc2OC)C1 1078281038 JLVIYDHVJJYFSU-GHMZBOCLSA-N 320.349 -0.708 30 20 DBED CCN(C(=O)C#CC1CC1)C1CN(C(=O)[C@H]2CCNC(=O)C2)C1 1079737115 WWZOBRACZOKIJW-ZDUSSCGKSA-N 317.389 -0.015 30 20 DBED COCCC(=O)N1CCC(CO)(NC(=O)C#CC2CC2)CC1 1080854519 STAOAJNNZSAMBM-UHFFFAOYSA-N 308.378 -0.094 30 20 DBED CCN(CC)CC(=O)N1CCC(CO)(NC(=O)[C@@H](C)C#N)CC1 1080981832 NBTLQXCLLUSAJJ-ZDUSSCGKSA-N 324.425 -0.042 30 20 DBED C#CCOCCC(=O)N1C[C@H](CNC(=O)c2ccon2)[C@@H](O)C1 1081302070 GKUYPMXUBJTJDQ-AAEUAGOBSA-N 321.333 -0.736 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)Cn2ccnc2)C[C@@H]1O 1081333704 WWCHDWGPGARJOX-STQMWFEESA-N 306.366 -0.215 30 20 DBED Cc1ncc(C(=O)NC[C@@H]2CN(C(=O)C#CC(C)C)C[C@H]2O)[nH]1 1081346245 FZYULJUSSWAUNP-TZMCWYRMSA-N 318.377 -0.073 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)CC(=O)N(C)C)C[C@@H]1O 1081468862 PQBDDQGCHXEDTO-OLZOCXBDSA-N 323.393 -0.940 30 20 DBED C=CCCOCC(=O)N1C[C@H](CNC(=O)C#CC2CC2)[C@@H](O)C1 1081474131 NTSQSBAWUIEIKZ-GJZGRUSLSA-N 320.389 -0.072 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2[nH]nnc2C)C1 1081637709 PPSYKRFKQJIJAJ-WDEREUQCSA-N 307.354 -0.372 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CN1CCCCCC1=O 1083269772 VZEDONKOBBOYFF-UONOGXRCSA-N 320.393 -0.176 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@@]2(C3CCCC3)CCNC2=O)C1 1083536140 DVYWYYQFXUAFIM-JKIFEVAISA-N 319.405 -0.523 30 20 DBED C[C@@H]1CCc2[nH]nc(C(=O)N[C@@H]3CN(CC#N)C[C@@H]3O)c2C1 1083905319 YWWIHDGRSRGXDW-WQAKAFBOSA-N 303.366 -0.167 30 20 DBED CC(C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CN(CC#N)C[C@@H]1O 1084070481 PBGMSZOUTMDILZ-UPJWGTAASA-N 308.382 -0.682 30 20 DBED C=CCN1CC[C@H](N2CC[C@@H]3CCN(C(=O)C(N)=O)C[C@@H]32)C1=O 1085021362 PDELDXBKFQXUCZ-AVGNSLFASA-N 320.393 -0.819 30 20 DBED CC#CCN1C[C@H]2CC[C@H]1[C@H]1CN(C(=O)Cn3ncnn3)C[C@@H]21 1087359412 VTVRGYQYOFROHI-QPSCCSFWSA-N 314.393 -0.135 30 20 DBED Cn1nnc(C(=O)N[C@H]2CN(CC#N)CC3(CCOCC3)C2)n1 1089952395 VSXCVBCYCZBRCS-LLVKDONJSA-N 319.369 -0.665 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2cc(OCC)n[nH]2)[C@H](O)C1 1090354854 MLCRJFHPEULICG-DGCLKSJQSA-N 306.366 -0.003 30 20 DBED C[C@@H](CC(N)=O)C(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@H]1O 1090512437 IGGGQUBBIZASTK-UFGOTCBOSA-N 317.349 -0.870 30 20 DBED CN(C)CCCC(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1O 1090522374 IKZKPBZSFFKXKD-VXGBXAGGSA-N 318.381 -0.644 30 20 DBED C=CCCN1CC[C@@H](NC(=O)C2CC(=O)NC(=O)C2)[C@@H](O)C1 1090636689 BWOJYYUTDFQFJZ-NEPJUHHUSA-N 309.366 -0.833 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CN(Cc3nc(O)n[nH]3)C[C@@]2(C)C1 1091543154 DGRCSDPGCAQLHE-RBZYPMLTSA-N 304.354 -0.050 30 20 DBED C[C@H](C#N)C(=O)NCC1CC(Nc2ccc3nnnn3n2)C1 1092205459 BJAXZVJGLOVCMN-XNWIYYODSA-N 300.326 -0.014 30 20 DBED CC(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(C#N)nn1 1092797178 KMIIVVZLFBQVRE-AGIUHOORSA-N 314.349 -0.290 30 20 DBED N#Cc1ccc(N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)CNC(N)=O)cn1 1092938044 TYXMAKNEPSRQNT-RTXFEEFZSA-N 314.349 -0.153 30 20 DBED C=CCN1CC(OC2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)C1 1093575157 RHTZTZQVLNTZNY-KGLIPLIRSA-N 307.394 -0.014 30 20 DBED C[C@]1(C(=O)NCCN=c2cc[nH]c(C#N)n2)CCCS1(=O)=O 1093721536 VXULPRCYSMOALF-CYBMUJFWSA-N 323.378 -0.734 30 20 DBED N#Cc1cncc(NCCNC(=O)CCCn2ccnn2)n1 1093930986 ZTLXQPCOJWXNGT-UHFFFAOYSA-N 300.326 -0.052 30 20 DBED Cc1cc(C#N)nc(NCCNC(=O)c2ccn3nnnc3c2)n1 1094032841 XXGXLUSLWUUIJV-UHFFFAOYSA-N 323.320 -0.064 30 20 DBED N#Cc1cccnc1NCCCNC(=O)C[C@@H]1CC(=O)NC1=O 1094485194 AFNPIYLNBQHOBU-LLVKDONJSA-N 315.333 -0.076 30 20 DBED C#CCN1CCN(C(=O)c2ccncc2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094602169 WLKZJKDGAYDCJV-UONOGXRCSA-N 319.386 -0.362 30 20 DBED N#Cc1nccnc1N[C@@H]1CCN(C(=O)C(=O)NCC(F)F)C1 1095070440 GUDKHZFQUFMMDX-MRVPVSSYSA-N 324.291 -0.258 30 20 DBED C=C[C@](C)(O)CC(=O)NCCCN(C)c1ccc2nnnn2n1 1095527690 KWAQQSYNHJISBS-AWEZNQCLSA-N 319.369 -0.211 30 20 DBED COC(=O)NCC(=O)N[C@H]1CCCN(c2cnc(C#N)cn2)C1 1096137883 MHFCVIAPTRSDQT-JTQLQIEISA-N 318.337 -0.211 30 20 DBED CN(C)C(=O)CC(=O)N[C@H]1CCCN(c2ccnc(C#N)n2)C1 1096238533 ZFUGTSLRNQITCQ-NSHDSACASA-N 316.365 -0.088 30 20 DBED N#Cc1nc(=N[C@H](CNC(=O)C2=COCCO2)C2CC2)cc[nH]1 1096567374 JZNKESUUAUSYRX-LLVKDONJSA-N 315.333 -0.035 30 20 DBED C[C@H](CNC(=O)Cn1cnnc1O)Nc1nccnc1C#N 1097787881 QDTMEHQIVCYUGL-MRVPVSSYSA-N 302.298 -0.738 30 20 DBED C[C@H](CNC(=O)[C@@H]1CCN(C)C1=O)Nc1cncc(C#N)n1 1098193742 JJBABVGSWNNFNF-KOLCDFICSA-N 302.338 -0.257 30 20 DBED CCNC(=O)CC(=O)N1CC[C@H](CN=c2cc[nH]c(C#N)n2)C1 1098522408 YLVLJEXGZPFCNG-LLVKDONJSA-N 316.365 -0.443 30 20 DBED N#CCNCc1cn([C@H]2CCN(C(=O)c3ccon3)C2)nn1 1098626705 ZMJRSGWSJVFAAX-NSHDSACASA-N 301.310 -0.034 30 20 DBED N#CCNCc1cn([C@H]2CCN(C(=O)c3ncc[nH]3)C2)nn1 1098673610 SICKYTNKSUNKBF-NSHDSACASA-N 300.326 -0.298 30 20 DBED C[C@H](CCNC(=O)[C@H]1CCC(=O)N1)Nc1ccc(C#N)nn1 1098929421 BTXGZTJZCQVYAJ-MWLCHTKSSA-N 302.338 -0.066 30 20 DBED Cc1coc(C(=O)N[C@@H]2CCN(CC(=O)NCC#N)C[C@H]2O)c1 1099966814 CSSDWXKEPHHPEA-VXGBXAGGSA-N 320.349 -0.607 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CCc2cn(C)nn2)[C@H](O)C1 1100147666 TVRKGMXISXPVBK-ZIAGYGMSSA-N 305.382 -0.678 30 20 DBED CN(CCNC(=O)CCc1cnn(C)n1)c1cnc(C#N)cn1 1100329283 VOKQOIDWVBRROI-UHFFFAOYSA-N 314.353 -0.338 30 20 DBED CC[C@]1(C(=O)NCCN(C)c2ccc(C#N)nn2)CCNC1=O 1100401848 MNRYJHFNWPFBNE-HNNXBMFYSA-N 316.365 -0.183 30 20 DBED CCN(CCNC(=O)c1cn(C)nn1)c1ccc(C#N)nn1 1100506387 QGUNCVRUSNKPGA-UHFFFAOYSA-N 300.326 -0.267 30 20 DBED C=CCNC(=O)[C@H](C)NC1CC(CNC(=O)Cn2cncn2)C1 1100959411 UGYZCVZSNUCKIR-HIFPTAJRSA-N 320.397 -0.547 30 20 DBED COCC(C)(C)C(=O)NC[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1102147826 OJTZDAUCSOVMES-CHWSQXEVSA-N 324.425 -0.017 30 20 DBED C=CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)CNC(C)=O)C1 1102639832 QHPRHEKRPDBVLK-TZMCWYRMSA-N 324.425 -0.501 30 20 DBED C=CCOCCN1C[C@@H](C)[C@H](CCNC(=O)CNC(N)=O)C1 1102655250 XPQFGSVHPODETJ-CHWSQXEVSA-N 312.414 -0.069 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H](CC)Nc1ccc2nnnn2n1 1103197622 FBZLXUCDSLEZST-QWRGUYRKSA-N 317.353 -0.136 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)C[C@@H]1COC(=O)C1 1104527278 ZRSBCWVMDMJZNV-QWRGUYRKSA-N 317.349 -0.018 30 20 DBED C#CCNCc1cn(C2CN(C(=O)C[C@@H]3CCOC3)C2)nn1 1105197466 ULDHANCIEIIVOB-LBPRGKRZSA-N 303.366 -0.189 30 20 DBED N#CCNCc1cn(C2CN(C(=O)CCc3cn[nH]c3)C2)nn1 1105342755 VANQPNCTUQMJHN-UHFFFAOYSA-N 314.353 -0.370 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)[C@H]2CCC(=O)N2)cn1 1105750082 HBZUXWQTLYVXNU-NWDGAFQWSA-N 303.322 -0.879 30 20 DBED C#CCCCC(=O)NC[C@@H](O)CNc1nc[nH]c2ncnc1-2 1105798822 MLCNBKQTOYLXHM-SNVBAGLBSA-N 302.338 -0.003 30 20 DBED CCn1cc(C(=O)NC[C@@H](O)CNc2cncc(C#N)n2)nn1 1105953589 BYISCXXDWZYQJU-JTQLQIEISA-N 316.325 -0.838 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H](O)CNc1nccc(OC)n1 1105970144 AZZXXUVQNYKLPC-GHMZBOCLSA-N 308.338 -0.588 30 20 DBED CN(C)CC1(C(=O)NC[C@H](O)CNc2cnc(C#N)cn2)CC1 1106100320 MXMSUEGXWJSXDZ-GFCCVEGCSA-N 318.381 -0.421 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)[C@@H]2CCC(=O)NC2)cn1 1106170683 VNXFACHHHPABLN-ZWNOBZJWSA-N 317.349 -0.632 30 20 DBED C[C@@H](CCNc1nccnc1C#N)NC(=O)[C@H](C)NC(N)=O 1106298591 WLTGIHXDFVLWQA-IUCAKERBSA-N 305.342 -0.288 30 20 DBED C#CCNC[C@@H]1CN(C(=O)CN2CCN(C)C(=O)C2)C[C@H]1C 1106343311 YLXUYJBPEQCRGY-ZIAGYGMSSA-N 306.410 -0.922 30 20 DBED N#Cc1ccc(NC/C=C/CNC(=O)[C@H]2COCCO2)nn1 1107050136 DEKPSGIUECZTNE-YYRQZUAOSA-N 303.322 -0.152 30 20 DBED C[C@@H]1CN(C(=O)Cn2ccnc2)C[C@H]1CNCC(=O)NCC#N 1107077922 SOPPFJFURCNVHD-CHWSQXEVSA-N 318.381 -0.793 30 20 DBED C[C@H](CNc1cncc(C#N)n1)NC(=O)[C@H]1CCNC(=O)C1 1107687023 OPQUUDIFTOEGMP-ZJUUUORDSA-N 302.338 -0.209 30 20 DBED CC#CCN1CCO[C@@](C)(CNC(=O)[C@]2(C)CNC(=O)C2)C1 1108093040 QRMNYVNXLSQFIA-HOTGVXAUSA-N 307.394 -0.257 30 20 DBED C[C@@H](CN=c1cc[nH]cc1C#N)NC(=O)[C@H]1CCNC(=O)C1 1108335973 ZMKOYKADMNBZMW-QWRGUYRKSA-N 301.350 -0.182 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)[C@H](C)CN2CCOCC2)C1 1108401264 OYYSZWQXSBZYNN-WBVHZDCISA-N 323.437 -0.205 30 20 DBED N#CCNC(=O)CN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(F)F)C2 1108595768 XZHNWBZIMIFAJX-AEJSXWLSSA-N 300.309 -0.140 30 20 DBED COCC#CCN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CNC(N)=O)C2 1108616137 JMXBRUUOQNWAQN-AVGNSLFASA-N 308.382 -0.726 30 20 DBED N#CCN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)NCC(F)F)C2 1108716504 TZTRIKYWYCOPMN-AEJSXWLSSA-N 300.309 -0.140 30 20 DBED C[C@@H](CN=c1cc[nH]cc1C#N)NC(=O)[C@@H]1CCC(=O)NC1 1108776917 SURDOVXNBWZBNG-WDEREUQCSA-N 301.350 -0.182 30 20 DBED O=C(C#CC1CC1)N[C@H]1C[C@H]2CC[C@@H]1N2[C@@H]1CCC(=O)NC1=O 1109258048 YTVQJAOTCBFPRX-ZOBORPQBSA-N 315.373 -0.074 30 20 DBED CC(=O)N[C@H](C)C(=O)N(C)CCCN=c1cc[nH]c(C#N)n1 1109362223 GBOOTCGIGMFOBV-SNVBAGLBSA-N 304.354 -0.445 30 20 DBED N#Cc1ccc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)CCNC(N)=O)cn1 1109709226 YGUWXPFGPZKKOE-LJWDBELGSA-N 314.349 -0.295 30 20 DBED CNC(=O)CC(=O)N[C@H](CN=c1cc[nH]cc1C#N)C1CC1 1109841975 NSRXIZWZKWUYLF-CYBMUJFWSA-N 301.350 -0.182 30 20 DBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cn(C)nn1 1110521670 RTDBTPWIFWTGCY-WZRBSPASSA-N 318.381 -0.548 30 20 DBED C[C@H]1CN(C(=O)CNC(N)=O)C[C@H]1CNc1cncc(C#N)n1 1111241172 PQVREINGANCFQY-VHSXEESVSA-N 317.353 -0.477 30 20 DBED CCOCC(=O)N[C@]1(CO)CCCN(c2cncc(C#N)n2)C1 1111326217 IJXXBLLZJOIVLF-OAHLLOKOSA-N 319.365 -0.168 30 20 DBED COCCC(=O)N[C@@]1(CO)CCCN(c2nccnc2C#N)C1 1111329894 NSIRAUKWRXXUDH-HNNXBMFYSA-N 319.365 -0.168 30 20 DBED COC(=O)NCC(=O)N(CCO)CCNc1ccc(C#N)cn1 1111425621 QGYBUTUUJSLKJT-UHFFFAOYSA-N 321.337 -0.458 30 20 DBED N#Cc1c[nH]ccc1=NCCN(CCO)C(=O)c1cnsn1 1111425785 WUQWKEXEELXWHD-UHFFFAOYSA-N 318.362 -0.227 30 20 DBED N#Cc1cnc(N2C[C@@H](O)[C@@H](CNC(=O)C#CC3CC3)C2)cn1 1112720137 GNFLVUAJGUSIAF-GXTWGEPZSA-N 311.345 -0.325 30 20 DBED CCO[C@H](C(=O)N1CCN(CC(=O)NCC#N)CC1)C1CC1 1112859772 AGVZIOBMMZEZLD-AWEZNQCLSA-N 308.382 -0.415 30 20 DBED C=CCN1CC[C@@H](N2CCN(C(=O)[C@H](C)CC(N)=O)CC2)C1=O 1113196450 RTZBYERRTNJEFM-CHWSQXEVSA-N 322.409 -0.571 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)c3cnn(C)c3)[C@H]2C1 1113842625 WQBFWNMDURNLLG-ZZVYKPCYSA-N 317.393 -0.229 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)N(C)c1ccc(C#N)cn1 1113868882 DONUSOZCNRTNMB-ONGXEEELSA-N 302.338 -0.424 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)c3ccncc3F)[C@@H]2C1 1114090727 JETYXAZAXQGWGM-VXGBXAGGSA-N 316.336 -0.370 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)c3ccnnc3)[C@H]2C1 1114883277 VIZSFWPCRUHRPV-ZZVYKPCYSA-N 313.361 -0.726 30 20 DBED CCc1oncc1C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1114899305 PPWIRISEEGDPBA-YABSGUDNSA-N 317.349 -0.463 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)CN3CCCC3)[C@H]2C1 1115242915 GGBOQJIHRGBLHS-IHRRRGAJSA-N 320.437 -0.181 30 20 DBED COCC#CCNC1(CNC(=O)[C@@H]2CNC(=O)N2)CCCCC1 1115699288 BFCBLKUMHOHHEZ-ZDUSSCGKSA-N 322.409 -0.274 30 20 DBED C=CCNC(=O)[C@H](C)OC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1116347594 QXUBVYYNBLWXOA-VIFPVBQESA-N 309.278 -0.010 30 20 DBED C=CCCOCCNC(=O)C(=O)NC1CCN(C(C)=O)CC1 1116997850 SJONBHVVOKCOAX-UHFFFAOYSA-N 311.382 -0.178 30 20 DBED C=C[C@@H]1CCCCN1C(=O)C(=O)N1CCO[C@H](CNC(C)=O)C1 1117911726 FSASTXMYRPBMLE-ZIAGYGMSSA-N 323.393 -0.083 30 20 DBED C[C@H]1C(=O)N(C)CCN1C(=O)C(=O)N1CCC[C@@H](CC#N)C1 1118508533 FGOVVKNGTCCLIL-RYUDHWBXSA-N 306.366 -0.172 30 20 DBED O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCN2CC[C@H]1C2 1118709364 ITFLHEVXFLWQHK-AKCBPTIMSA-N 304.350 -0.181 30 20 DBED C[C@H](NC(N)=O)C(=O)NC[C@@H](CO)Nc1ncc(C#N)cc1F 1121377091 LWVHIMLICBDQQW-CBAPKCEASA-N 324.316 -0.962 30 20 DBED Cn1nncc1C(=O)NC[C@H](CO)Nc1ccc(C#N)cn1 1121387624 SQSZQFNYDXIIFS-SNVBAGLBSA-N 301.310 -0.715 30 20 DBED C#Cc1cncc(C(=O)NC[C@H](CO)Nc2nccnc2C#N)c1 1122509018 WHMMKHIQWRHNPN-CYBMUJFWSA-N 322.328 -0.073 30 20 DBED COCCOCC(=O)N1CC[C@@H](N=c2cc[nH]c(C#N)n2)[C@@H]1C 1122951925 ZEMIZTKAKKOMFP-NWDGAFQWSA-N 319.365 -0.166 30 20 DBED C[C@@H]1[C@@H](NC(=O)CNC(N)=O)CCCN1c1ccc(C#N)nn1 1123515549 XWBMVYMWYAYMEW-KOLCDFICSA-N 317.353 -0.510 30 20 DBED C[C@@H]1[C@@H](NC(=O)CC(N)=O)CCCN1c1cnc(C#N)cn1 1123522689 LYCIDFXTUGZNCX-KOLCDFICSA-N 302.338 -0.303 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)CNC(=O)C2CC2)C1=O 1124107797 DFZVNCOZNNHPLF-GFCCVEGCSA-N 308.382 -0.995 30 20 DBED C[C@@H](C#N)C(=O)N(C)C[C@@H](O)CN=c1ccc2ncc[nH]c-2n1 1124190734 IZHVFPVDYOIVIX-QWRGUYRKSA-N 314.349 -0.211 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)c1cnnn1C 1126540715 DZBOBTSGRMWDBW-UHFFFAOYSA-N 306.370 -0.665 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1ccnc2ccnn12 1129262866 TVTYMFZLEAFDQP-NSHDSACASA-N 314.349 -0.813 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)[C@@]1(CC)CCNC1=O 1129875784 YRTKFKFMCYJBGQ-NHYWBVRUSA-N 310.398 -0.701 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)c1ccc(C#N)[nH]1)NCC(=O)NC(N)=O 1134157066 URTFQJJGNCSCNV-DTWKUNHWSA-N 320.353 -0.432 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCN[C@H]1CCC(=O)NC1=O 1135142311 ORXMZLJKFRYVCK-GVXVVHGQSA-N 309.366 -0.521 30 20 DBED C=CCN[C@H](C)C[C@H](C)NC(=O)CCn1cc[nH]c(=O)c1=O 1135688024 YSIOZJLXJCPVHK-NEPJUHHUSA-N 308.382 -0.014 30 20 DBED C=CCNC(=O)CN1CCC2(C1)CN(C(=O)c1cn(C)cn1)C2 1147329513 XISVYEHGGHAYFF-UHFFFAOYSA-N 317.393 -0.130 30 20 DBED C#CCNC(=O)CNCCNC(=O)Cc1cccc(COC)c1 1147545591 BTBMJKKNZYFEAK-UHFFFAOYSA-N 317.389 -0.169 30 20 DBED C=CCCOCC(=O)NCCN[C@H](C)C(=O)NC(=O)NC 1153091470 PQIORDCTVYEMJQ-SNVBAGLBSA-N 300.359 -0.871 30 20 DBED CC(C)NC(=O)NC(=O)[C@H](C)NCCCNC(=O)[C@@H](C)C#N 1155854767 NZOXXPRKKNXYRD-QWRGUYRKSA-N 311.386 -0.135 30 20 DBED C#CCNC(=O)CNCCCNC(=O)CNC(=O)CCC(C)C 1168531532 KNCXWZWVIXRXGH-UHFFFAOYSA-N 324.425 -0.616 30 20 DBED C[C@H](CCCCNCC#N)NC(=O)Cn1cnc(C(N)=O)n1 1170879694 ZJYFYGZDDDBDEM-SNVBAGLBSA-N 307.358 -0.835 30 20 DBED COc1ccc(CC(=O)NCCCNCC(=O)NCC#N)cc1 1171908212 PLVSVSHFCMENFS-UHFFFAOYSA-N 318.377 -0.027 30 20 DBED C#CCNC(=O)CNCCCNC(=O)CNC(=O)CC(C)(C)C 1176422967 RRORIQTYZMZOJB-UHFFFAOYSA-N 324.425 -0.616 30 20 DBED CCNC(=O)CCC(=O)N1CC[C@@H]2OCCN(CC#N)[C@@H]2C1 1176962590 KLAVTARHIRSXPO-OLZOCXBDSA-N 308.382 -0.272 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)c2cnccn2)[C@H]1C 1178046989 VGCFIMYHAPBXJI-AVGNSLFASA-N 315.377 -0.193 30 20 DBED Cc1cc(C(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)nn1C 1181301726 JAJJEIZPPSXWLT-LLVKDONJSA-N 304.354 -0.828 30 20 DBED C#CCNC[C@H]1CCN(C(=O)CCCS(N)(=O)=O)C[C@@H]1C 1185040242 NNCVAMIETLRZLI-QWHCGFSZSA-N 315.439 -0.238 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)CCCC(=O)NCC)C1 1187185017 RWSHCKYWDKLGBV-CYBMUJFWSA-N 324.425 -0.215 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)c2cncnc2C)C1 1191295183 RQYNWLVUQPGULW-ZIAGYGMSSA-N 304.350 -0.790 30 20 DBED CCN1CC[C@@H](N2C[C@@H](O)[C@H](NC(=O)C#CC3CC3)C2)C1=O 1192826852 JWMOPEAYHLVINV-MGPQQGTHSA-N 305.378 -0.818 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN([C@@H](C)c2csnn2)C[C@H]1O 1192890761 CCXVATWTNHVWTC-DMDPSCGWSA-N 324.406 -0.200 30 20 DBED C=CC(C)(C)CC(=O)N[C@@H]1CN(CCOCCO)C[C@H]1O 1193337346 OOXUOXKZXCMQAG-CHWSQXEVSA-N 300.399 -0.241 30 20 DBED C=CCN(C)[C@@H]1CCN(C(=O)CCS(=O)(=O)N(C)C)C1 1194210302 ZFEPHSDNSASTPZ-GFCCVEGCSA-N 303.428 -0.013 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC[C@@H](N(C)Cc2nc(=O)n(C)[nH]2)C1 1194397466 VWOPMRWNWKSXOK-NWDGAFQWSA-N 323.397 -0.268 30 20 DBED C=CCOCC(=O)N1CCCN(CCS(C)(=O)=O)CC1 1195313820 DXPKXRXBFZXXJQ-UHFFFAOYSA-N 304.412 -0.232 30 20 DBED C=C(C)C[C@@H](C)C(=O)N[C@@H]1CN(CCN2CCNC2=O)C[C@H]1O 1195532005 KQTRSOPFLCWXPF-MGPQQGTHSA-N 324.425 -0.225 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C[C@H](C)CC(C)C)C1 1197698572 KOEJYCATHRBWMZ-RBSFLKMASA-N 323.437 -0.031 30 20 DBED N#CCN1CCCN(C(=O)CCC(=O)N2CCOCC2)CC1 1198046801 QYVOHVYIEHMZPK-UHFFFAOYSA-N 308.382 -0.317 30 20 DBED COCC#CCNC1CCN(C(=O)C[C@@H]2CCNC2=O)CC1 1201028056 FDIRLRWKCJDCSQ-ZDUSSCGKSA-N 307.394 -0.257 30 20 DBED C=CCOCCNC1CCN(C(=O)CS(=O)(=O)NC)CC1 1203741235 ZDDWYVRMSVMESK-UHFFFAOYSA-N 319.427 -0.681 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)[C@H](C)CCOC)CC1 1203780125 CLEOFMHDWRSTAP-CYBMUJFWSA-N 309.410 -0.011 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)C2=COCCO2)CC1 1204349679 IEHGPEVONKMOEC-UHFFFAOYSA-N 321.377 -0.548 30 20 DBED CCNC(=O)NC(=O)CNCC1CCN(C(=O)[C@H](C)C#N)CC1 1204799184 SIDOBRXAZQSZFW-LLVKDONJSA-N 323.397 -0.180 30 20 DBED C=CCOCC(=O)N1CCC[C@@H](N[C@H](C)C(=O)NC(N)=O)C1 1207680226 KQWIGLXOHQYYSZ-GHMZBOCLSA-N 312.370 -0.647 30 20 DBED CCn1nccc1C(=O)N1CCC[C@H](NCC(=O)NCC#N)C1 1207884930 DMAXZOMVHNNRPE-LBPRGKRZSA-N 318.381 -0.263 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCC[C@H](NCC(=O)NC(N)=O)C1 1207951240 RCPHTZDYANXAMW-HZMBPMFUSA-N 312.370 -0.911 30 20 DBED C=CCNC(=O)[C@H](C)N[C@H]1CCCN(C(=O)c2ncn(C)n2)C1 1207982686 DBHNVEXIJIKEEW-RYUDHWBXSA-N 320.397 -0.300 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCCN(C(=O)c2cnn(C)n2)C1 1210117476 ZOQQAJYYMSIOAU-RYUDHWBXSA-N 318.381 -0.853 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2ccoc2C)[C@H](OC)C1 1211817171 NFBIZGRQYVGJPM-ZIAGYGMSSA-N 319.361 -0.234 30 20 DBED C=CCOCCN1C[C@@H](NC(=O)Cc2nnc(C)o2)[C@H](OC)C1 1212214810 ZBWWXDRXFCJCPM-CHWSQXEVSA-N 324.381 -0.061 30 20 DBED C[C@@H]1CN(C(=O)C2=COCCC2)C[C@H]1NCC(=O)NCC#N 1214307450 FOBKGFRGLUXVAN-DGCLKSJQSA-N 306.366 -0.243 30 20 DBED C=C[C@](C)(O)CC(=O)N1C[C@@H](NCc2nnnn2C)[C@H](C)C1 1214520412 HQDVOYWDQSJBCI-GYSYKLTISA-N 308.386 -0.526 30 20 DBED C=C(C)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)CS(=O)(=O)CC 1219052141 HWWFADQJGHGWBH-QWHCGFSZSA-N 316.423 -0.091 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CN(Cc2noc3c2COCC3)C[C@@H]1O 1219381480 TTWMSLOTHXMTJL-BIMULSAOSA-N 320.349 -0.432 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)CCC(=C)C)C1 1219720719 WTDIZQAVTHJEIJ-MCIONIFRSA-N 307.394 -0.358 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)[C@@H]3[C@H]4COC[C@H]43)[C@@H]2C1 1221750297 ALTZSCSUKCVHJE-SSZWKKLZSA-N 317.389 -0.839 30 20 DBED C#CCCN1CCC(CNC(=O)CN2CCC(=O)NC2=O)CC1 1225093781 AUELXCNUMDVNPF-UHFFFAOYSA-N 320.393 -0.220 30 20 DBED C=CCNC(=O)NC(=O)CN1CC[C@H]1CN(C)C(=O)COC 1230539446 VZMDPGQMBRZIPP-NSHDSACASA-N 312.370 -0.823 30 20 DBED COCC#CCN1CC[C@H]1CN(C)C(=O)c1cnn(C)c1N 1233819906 RPTSKFJMLWUAFE-LBPRGKRZSA-N 305.382 -0.202 30 20 DBED C=CC[C@H](CC)NC(=O)C(=O)N1CCN(S(C)(=O)=O)CC1 1258513548 YRIXGXDQTPDADO-NSHDSACASA-N 317.411 -0.439 30 20 DBED C=CCNC(=O)[C@@H](C)NC[C@H]1CCCN1C(=O)c1nnn(C)n1 1319103540 KOWRMZAUVSVILA-GHMZBOCLSA-N 321.385 -0.905 30 20 DBED C=C[C@@H](COC)NC(=O)N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1321256467 KTSHYPZKIQEDLC-WDEREUQCSA-N 310.354 -0.135 30 20 DBED Cc1nc([C@@H]2CCCN(C(=O)NCC(=O)NCC#N)C2)n[nH]1 1323103978 VERXHUPOSPPSQY-SNVBAGLBSA-N 305.342 -0.358 30 20 DBED C#C[C@H](C)N(C)C(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1 1324685945 JSIDARYXHPHFFM-VIFPVBQESA-N 309.347 -0.247 30 20 DBED N#Cc1ccc(NC(=O)C(=O)NC[C@]2(O)CCSC2)nc1 1324950971 FQJKNYVZHPKSEO-CYBMUJFWSA-N 306.347 -0.124 30 20 DBED O=c1nc(C=NO)ccn1Cc1nnn(CC(F)(F)F)n1 1327518837 UMRYZJHGHOEROD-UHFFFAOYSA-N 303.204 -0.352 30 20 DBED C=CCN(C)C(=O)C(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 1330385171 KOLOHFPVCVJIKC-SNVBAGLBSA-N 303.384 -0.829 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CC[C@@H](N)[C@H](C)C2)nn1 1331950677 QKZGQOXJKKZJHX-ZYHUDNBSSA-N 306.370 -0.724 30 20 DBED C=CCS(=O)(=O)CCn1nnnc1N1CCOC(C)(C)C1 1332080769 BSYRSPSLXDATHY-UHFFFAOYSA-N 315.399 -0.111 30 20 DBED N#Cc1ncn(CCN2C(=O)N[C@H](Cc3ccncc3)C2=O)n1 1334275992 GFFLDJBYRKPRDI-LLVKDONJSA-N 311.305 -0.292 30 20 DBED N#C[C@]1(F)CCN(C(=O)C(=O)N2CC[C@@H](C3OCCO3)C2)C1 1335045712 KGGSMBAMSCARRH-QMTHXVAHSA-N 311.313 -0.328 30 20 DBED Cc1nc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)nn1C 1335850076 AXWNCSLESRDXRK-LLVKDONJSA-N 317.353 -0.739 30 20 DBED C#CCN1CCC(c2nnc(N3CCN(C)C(=O)C3)n2C)CC1 1339644024 PLGULQFIWAHKQZ-UHFFFAOYSA-N 316.409 -0.094 30 20 DBED CCS(=O)(=O)CCNC(=O)C(=O)N1CCC(CC#N)CC1 1341815471 ITZUECJWHZKSGC-UHFFFAOYSA-N 315.395 -0.310 30 20 DBED Cn1ccnc1C(=O)[C@@H](C#N)C(=O)CCC(=O)N1CCOCC1 1342640758 JQCCXYZFRMNWEY-NSHDSACASA-N 318.333 -0.049 30 20 DBED CCN(CCC#N)C(=O)CN[C@H]1CN(C(=O)COC)C[C@@H]1C 1368733303 RLTNVMVADDVXPT-STQMWFEESA-N 310.398 -0.169 30 20 DBED CCCN(CCNC(=O)c1cn(C)c(=O)n1C)C(=O)[C@@H](C)C#N 1374137570 BHVLGIGSAFFXQQ-NSHDSACASA-N 321.381 -0.148 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CN(C)C(=O)C1CCN(C)CC1 1383022303 LQPHTUIIZJVXPQ-YPMHNXCESA-N 310.398 -0.577 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]1CN(C)C(=O)CS(C)(=O)=O 1384864924 CZDRJZYDTJOXSN-ZJUUUORDSA-N 301.368 -0.750 30 20 DBED C[C@@H](C#N)C(=O)NC1CN(C(=O)[C@H](C)NC(=O)c2ccco2)C1 1387807517 YCLCXAPMHAFOSC-UWVGGRQHSA-N 318.333 -0.115 30 20 DBED COc1ccc(C(=O)N2CC(CNC(=O)[C@@H](C)C#N)C2)nn1 1387924680 HJZVCYVUYNMEGI-VIFPVBQESA-N 303.322 -0.167 30 20 DBED Cc1nc(CC(=O)N2CCC[C@@H]2CNC(=O)[C@@H](C)C#N)n[nH]1 1388348672 RDPFYRDVUVOBHH-GXSJLCMTSA-N 304.354 -0.078 30 20 DBED CCN(CCC#N)C(=O)CN[C@H](C)CNC(=O)c1cnn(C)c1 1390301073 UHGOSUFUHBXCQI-GFCCVEGCSA-N 320.397 -0.110 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1C[C@@H](NC(=O)COc2cnn(C)c2)C1 1396538926 KQHWCKNFNKJROK-UTUOFQBUSA-N 319.365 -0.030 30 20 DBED CCS(=O)(=O)CC(=O)N1CC[C@H](N(C)C(=O)[C@@H](C)C#N)C1 1396801527 XYPNBCMKEDYEKQ-QWRGUYRKSA-N 315.395 -0.360 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)[C@H](NC(N)=O)C(C)(C)C)C1 1398651120 WYKVJRKNHKVSJZ-WPRPVWTQSA-N 309.370 -0.444 30 20 DBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@H]1CO 1412700849 DHQGMZGDDIZHHI-PWSUYJOCSA-N 323.374 -0.182 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CN(C)C(=O)C1(F)CCOCC1 1413284141 YOSLJQRHRYAMKO-WDEREUQCSA-N 315.345 -0.400 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CCN(C(=O)c2ccc3nn[nH]c3n2)C1 1414806638 XLODVNXETQAZGU-BDAKNGLRSA-N 313.321 -0.157 30 20 DBED CCS(=O)(=O)CC(=O)N[C@H](C)C1CN(C(=O)[C@@H](C)C#N)C1 1427040096 XOOZQAGDWKCENW-VHSXEESVSA-N 315.395 -0.456 30 20 DBED COCCN(CCNC(=O)[C@H](C)C#N)C(=O)[C@H]1CCCN1C 1428426095 SAADSIOHHPATEC-CHWSQXEVSA-N 310.398 -0.169 30 20 DBED CCN(CCC#N)C(=O)CNC[C@@H](C)NC(=O)c1cncnc1 1445364060 OGGSVKKOJQESPH-GFCCVEGCSA-N 318.381 -0.053 30 20 DBED C[C@H](C#N)C(=O)N1CCC(N(CCO)C(=O)[C@@H]2CCOC2)CC1 1446191584 CPDGSEDBTYXEOC-CHWSQXEVSA-N 323.393 -0.006 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@@H](C)CNC(=O)c1cn(C)c(=O)n1C 1449979421 MTBWRQQPDRADQY-UWVGGRQHSA-N 307.354 -0.540 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C(=O)[C@@H](C)CS(C)(=O)=O)CC1 1453483613 BNATZKVDITZHRK-MNOVXSKESA-N 315.395 -0.502 30 20 DBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCOCN1 1455951086 KSBRRFSPVOMWCL-SNVBAGLBSA-N 324.362 -0.454 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC[C@H](NC(=O)c2nonc2C)C1 1494738174 NDMWIWRHFZISEF-MNOVXSKESA-N 307.354 -0.127 30 20 DBED COCC#CCNC[C@H]1CCCN1C(=O)[C@@H]1CN(C)CCO1 1568135965 FTAYSLQZPYYZAS-CABCVRRESA-N 309.410 -0.453 30 20 DBED Cn1cc(NC(=O)Cn2cc(C#N)c(O)nc2=O)cc1C(=O)O 1574213631 OOVCRWBUAYCXAA-UHFFFAOYSA-N 317.261 -0.504 30 20 DBED C[C@@H](C(=O)N(CCC#N)CCCN(C)C)N1CCNCC1=O 1575050047 XUNPZNTUZMSWHW-ZDUSSCGKSA-N 309.414 -0.499 30 20 DBED CN1CC2(CN(c3cnc(-c4nn[nH]n4)c(C#N)n3)C2)OC1=O 1579322997 NBQXOCYSQJWHOL-UHFFFAOYSA-N 313.281 -0.831 30 20 DBED C#CCOCCCOC(=O)[C@H](C)n1cnc(-c2nn[nH]n2)n1 1588362416 FNIMJCZSQVFVRG-VIFPVBQESA-N 305.298 -0.398 30 20 DBED C=C(C)COCCNC(=O)[C@@H](C)n1cnc(-c2nn[nH]n2)n1 1588428979 KSPKSMSBLUPCEJ-SECBINFHSA-N 306.330 -0.272 30 20 DBED C=CCNCc1cn(C2CN(C(=O)[C@H]3C[C@@H]3C(=O)O)C2)nn1 1588847888 QIBHEQHKWJVRCY-RYUDHWBXSA-N 305.338 -0.342 30 20 DBED N#CCNC[C@H](NC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C1CC1 1592678625 FZRLOUKJMBEQME-NSHDSACASA-N 300.326 -0.184 30 20 DBED C[C@H]1CN(S(=O)(=O)N2CCO[C@H](C#N)C2)CC[C@H]1C(=O)O 1599930809 BABOWQOZJLXGQI-HBNTYKKESA-N 317.367 -0.502 30 20 DBED N#Cc1ccsc1NC(=O)C(=O)N1CCC[C@@H](O)[C@@H]1C(=O)O 1601129503 HPARXBKNUNVJCI-RKDXNWHRSA-N 323.330 -0.005 30 20 DBED CC1(C#N)CN(C(=O)C2(C(=O)O)CCS(=O)(=O)CC2)C1 1603290921 ZDTLIJJCJDFVMD-UHFFFAOYSA-N 300.336 -0.362 30 20 DBED CN(C[C@@H]1COCCO1)c1cnc(C#N)c(-c2nn[nH]n2)n1 1604735904 JJWZMTLAGZEJEK-MRVPVSSYSA-N 302.298 -0.620 30 20 DBED CO[C@@H]1COCC[C@H]1CNc1cnc(-c2nn[nH]n2)c(C#N)n1 1605037029 NGENLYXNICCEDT-WCBMZHEXSA-N 316.325 -0.008 30 20 DBED N#Cc1ccc(CS(=O)(=O)N[C@H](CO)C(=O)O)c(F)c1 1610626906 AYGFUGRVGATVJT-SNVBAGLBSA-N 302.283 -0.438 30 20 DBED COCC#CCN1CCC[C@@H](NC(=O)CCc2nc[nH]n2)C1 1692084476 NXYZZWGAMWRQAD-CYBMUJFWSA-N 305.382 -0.032 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)CCN2CCCC2=O)C1 1713986738 RRGOBZUBHPBUSX-CYBMUJFWSA-N 322.409 -0.508 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)c2cnn(CC)c2)C1 1731431667 AFTXNTWDJHGWIJ-JSGCOSHPSA-N 317.393 -0.155 30 20 DBED C#CCNC(=O)CN1C[C@H](NC(=O)[C@H]2CCCN2C)C(C)(C)C1 1734142262 JUDGDPVZWGGJLP-KGLIPLIRSA-N 320.437 -0.343 30 20 DBED CC#CCN1CCC(N(C)C(=O)CCS(=O)(=O)NC)CC1 1752300191 VRKHOOBKFBEQRN-UHFFFAOYSA-N 315.439 -0.128 30 20 DBED Cn1cccc(C(=O)NCCCN2CCN(CC#N)CC2)c1=O 1752354933 HNMMQIWRAFAILI-UHFFFAOYSA-N 317.393 -0.354 30 20 DBED C#CCNC(=O)CN[C@@H](CNC(=O)c1cc(C)[nH]n1)C1CC1 1752451981 QSEIGWUHZKXEJT-ZDUSSCGKSA-N 303.366 -0.434 30 20 DBED N#CCNC(=O)CN[C@@H](CNC(=O)[C@]1(F)CCOC1)C1CC1 1752479540 GBGYCHABLQGZLW-FZMZJTMJSA-N 312.345 -0.761 30 20 DBED COCC#CCN[C@@H](C)CNC(=O)[C@H](C)N1C(=O)CCC1=O 1752877517 WJXAEDNGQVHSQB-RYUDHWBXSA-N 309.366 -0.732 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H]1CCCN1CC(=O)NC1CC1 1753103978 WMZYSNCZBGDWNU-TZMCWYRMSA-N 307.394 -0.116 30 20 DBED CCCN(CC#CCOC)CCNC(=O)[C@H]1CC[C@H]1C(N)=O 1753146479 XDIMSKXPLWKSRI-KGLIPLIRSA-N 309.410 -0.024 30 20 DBED CN(CCN1CC(NC(=O)C#CC(C)(C)C)C1)S(C)(=O)=O 1753377966 RMASXIFLYPVBOU-UHFFFAOYSA-N 315.439 -0.272 30 20 DBED C=C[C@H](CC)CC(=O)NC1CN(CCNS(C)(=O)=O)C1 1753384804 AECSPONKUWUTNR-LLVKDONJSA-N 303.428 -0.062 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@H](C)N(C)C(=O)c1ccc(C)nn1 1753690219 UNROPCOCVUCOGT-STQMWFEESA-N 317.393 -0.027 30 20 DBED C=C(C)CCNC[C@H](C)N(C)C(=O)CN1C(=O)C(=O)N(C)C1=O 1753725773 JRQFIVQCZHUWBX-NSHDSACASA-N 324.381 -0.190 30 20 DBED C#CCNC(=O)[C@@H](C)NCC[C@@H](C)NC(=O)c1cnn(C)c1C 1753950696 HDUOABHHDMJWSG-VXGBXAGGSA-N 319.409 -0.036 30 20 DBED C=CCNC(=O)[C@H](C)NC/C=C/CNC(=O)c1cnn(C)c1 1754094301 NEPNKAGOVUTOOE-FYJFLYSWSA-N 305.382 -0.014 30 20 DBED C#CCNC(=O)[C@H](C)NC1(CNC(=O)c2nccn2CC)CC1 1754513133 ILOURPBPMCDBIL-LBPRGKRZSA-N 317.393 -0.107 30 20 DBED C=CCN1CC[C@@](C)(NC(=O)CN2CCCS2(=O)=O)C1 1754674173 OYCYZYTXQDRUGL-CYBMUJFWSA-N 301.412 -0.212 30 20 DBED N#CCN1CC(O)(CNC(=O)c2c[nH]c3ccccc3c2=O)C1 1754769505 CGDIJCXOJCEOID-UHFFFAOYSA-N 312.329 -0.172 30 20 DBED C#CCNC(=O)[C@H](C)NCC[C@@H]1CCN(C(=O)COCC)C1 1754902314 NHEDYEYSBNCMPX-UONOGXRCSA-N 309.410 -0.011 30 20 DBED C#CCOCCC(=O)N1CCO[C@@H](CNCc2nccn2C)C1 1755002720 XEEMIHUQZIZYTQ-AWEZNQCLSA-N 320.393 -0.223 30 20 DBED C=CCNC[C@H]1CN(C(=O)CCS(=O)(=O)N(C)C)CCO1 1755018215 RKNIPMJDYRRMCY-LBPRGKRZSA-N 319.427 -0.729 30 20 DBED N#CCN[C@@]1(CO)CCCN(C(=O)[C@@H]2CCCS2(=O)=O)C1 1755091273 IFIXJMYWMXJNLQ-AAEUAGOBSA-N 315.395 -0.970 30 20 DBED CC(C)OCCC(=O)N1C[C@@H](C)[C@@H](NCC(=O)NCC#N)C1 1755103293 JXERSOWYPRNDHZ-OLZOCXBDSA-N 310.398 -0.122 30 20 DBED C#CCNC(=O)CNC1(C)CCN(C(=O)c2ccnnc2)CC1 1755133133 DAUINLRSJCAFSD-UHFFFAOYSA-N 315.377 -0.190 30 20 DBED C#CCOCCC(=O)N[C@H](C)C1CN(C(=O)[C@@H]2CCNC2=O)C1 1756142032 NSIIBKFSXUHKMX-DGCLKSJQSA-N 321.377 -0.875 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H](C)CN(C)C(=O)Cc1ncc[nH]1 1756485509 AAXCTXISHFZVDG-NWDGAFQWSA-N 306.366 -0.046 30 20 DBED C#CCC1(C(=O)NC[C@@H](CO)NC(=O)C(N)=O)CCCCC1 1756532060 PBAGHAOMPYPOAZ-NSHDSACASA-N 309.366 -0.961 30 20 DBED C=CCOCC(=O)N(C)C[C@H](O)CNC(=O)c1cnccn1 1756655333 FGTKRAQUFKWIDB-LLVKDONJSA-N 308.338 -0.772 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H](O)CN(C)C(=O)c1[nH]ccc1C 1756660885 OFGUIFBRHBWBDU-OLZOCXBDSA-N 321.377 -0.089 30 20 DBED CCO[C@@H](C)C(=O)N1C[C@@H](O)[C@H](NC(=O)CSCC#N)C1 1756979918 UXJFQASBUCDQPF-HBNTYKKESA-N 315.395 -0.644 30 20 DBED CCn1nccc1C(=O)N1C[C@@H](O)[C@H](NC(=O)C#CC2CC2)C1 1756993632 IUIRDMHWAQYKSL-TZMCWYRMSA-N 316.361 -0.382 30 20 DBED N#CCSCC(=O)N[C@@H]1CCN(C(=O)c2cn[nH]c2)C[C@@H]1O 1757562646 PCHRMAPKFLMJBC-MNOVXSKESA-N 323.378 -0.642 30 20 DBED O=C(O)CNS(=O)(=O)c1ccc(C=Nn2cnnc2)cc1 1776011463 DDTDHDBRLNCTDY-UHFFFAOYSA-N 309.307 -0.477 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cccnn1)CCO2 1783054222 HUNKPWMUBRZZBI-HNNXBMFYSA-N 300.318 -0.447 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C(\C)NC(C)=O 1800174941 VDUNZRGWZKSQCF-DOFQFUKMSA-N 319.361 -0.751 30 20 DBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)COCC)CCO2 1834989595 XGSAPSKCGOQWQD-HNNXBMFYSA-N 310.350 -0.888 30 20 DBED CNC(=O)CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(C)(C)C#N 1847344789 FXVCNJBTQOPMEG-QWRGUYRKSA-N 306.366 -0.126 30 20 DBED CC(C)Cn1c(N)c(C(=O)Cn2cnc(C#N)n2)c(=O)[nH]c1=O 14144497 FSNPPUZEXXFFSY-UHFFFAOYSA-N 317.309 -0.879 30 20 DBED C[C@H](C(=O)NC(N)=O)N1CCN(c2ccc(C#N)cn2)CC1 60481658 OYKJOOVHCDATMA-SNVBAGLBSA-N 302.338 -0.341 30 20 DBED C=C(Br)CN1CCN(CCS(N)(=O)=O)CC1 126638489 GYPSCUORRJGNFS-UHFFFAOYSA-N 312.233 -0.199 30 20 DBED C#CCN1CCN(C(=O)CN2CC(=O)N[C@@H]3CCCC[C@@H]32)CC1 132338259 CZZBHOGECKSKFU-CABCVRRESA-N 318.421 -0.493 30 20 DBED CCN(CCC#N)C(=O)CN1CCN(c2cnn(C)c2)C(=O)C1 177432485 DFCKJFKBQXFQCA-UHFFFAOYSA-N 318.381 -0.169 30 20 DBED C=CCNC(=O)CNC(=O)C1=C(C)N(C)c2ncnn2[C@H]1C 192578425 CDADVFIWUDBNGJ-JTQLQIEISA-N 304.354 -0.019 30 20 DBED Cc1cccc(S(=O)(=O)N[C@H](CC(N)=O)C(=O)O)c1C#N 274886290 DYNVTTQVUCIJDM-SECBINFHSA-N 311.319 -0.526 30 20 DBED C=C(C)CS(=O)(=O)NCCC(=O)N1CCN(C(C)=O)CC1 276577528 OEMFDTANEVJJOG-UHFFFAOYSA-N 317.411 -0.437 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Cn1ccc(=O)n(C)c1=O 281610536 WLFZBGDUJQROOG-RISCZKNCSA-N 307.350 -0.356 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)[C@@H](C)N2CCN(C)CC2)C1=O 281821007 VPXFSQFFQRPQDO-KGLIPLIRSA-N 308.426 -0.132 30 20 DBED N#Cc1cccc(NC(=O)CN2CCN(S(N)(=O)=O)CC2)c1 298061666 HJSYZNIBMVMJRW-UHFFFAOYSA-N 323.378 -0.682 30 20 DBED CCN1CCN(C/C(O)=N/CCc2n[nH]c(C)n2)C(=O)C1=O 329108858 IREARQKQLCZLFL-UHFFFAOYSA-N 308.342 -0.697 30 20 DBED O/C(=N/CCn1cncn1)N1CCO[C@@H](Cn2cccn2)C1 329486255 SXIGIGZZWWSZNA-GFCCVEGCSA-N 305.342 -0.210 30 20 DBED CN1C(=O)CC[C@H]1/C(O)=N/C[C@H]1CCCN1S(C)(=O)=O 329526283 HMPDCIYUNRMEME-ZJUUUORDSA-N 303.384 -0.012 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)NCCCN1CCC(O)CC1 330392515 PSYZYIAUHSSICI-GFCCVEGCSA-N 318.443 -0.241 30 20 DBED CCNC(=O)CN/C(O)=N/CC1CCN(S(C)(=O)=O)CC1 330448495 XEIHTGJKEGLDTD-UHFFFAOYSA-N 320.415 -0.702 30 20 DBED CNS(=O)(=O)CC/N=C(/O)N[C@@H](C)c1cn(C)nc1C 331259258 HUBRWIFEIDPTMN-QMMMGPOBSA-N 303.388 -0.158 30 20 DBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cnnn1C 337007481 ALELINRIDXBFRG-SNVBAGLBSA-N 312.337 -0.172 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N1C[C@@H](CO)O[C@H](C)C1 337167986 CSRXXGAXYVUDDC-UTUOFQBUSA-N 305.400 -0.206 30 20 DBED C[C@@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)N1CCC1 352124385 XWDBUTGUZJDVTM-LLVKDONJSA-N 322.394 -0.191 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N(C)CCNC(=O)N(C)C 352329468 KSILRHNYEUPDLU-SNVBAGLBSA-N 305.404 -0.474 30 20 DBED CC(C)NS(=O)(=O)CCNC(=O)N1CCO[C@H](C#N)C1 358328414 LPEHJSHOPYOXSK-SNVBAGLBSA-N 304.372 -0.752 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CCO[C@H]2C)CC1 362362442 MSUZWMNIBDWMMK-KBPBESRZSA-N 307.394 -0.305 30 20 DBED C[C@H]1CN(S(=O)(=O)N(C)CCC#N)C[C@@]2(CCOC2)O1 408340040 MYJPQUGBVRXJAX-NWDGAFQWSA-N 303.384 -0.044 30 20 DBED C#CCNC(=O)C1CCN(CC(=O)NC(=O)NC2CC2)CC1 491192636 QSOOVAAQTDMAPY-UHFFFAOYSA-N 306.366 -0.564 30 20 DBED C[C@@H](C#N)CNC(=O)[C@@](C)(O)CN1C(=O)NC2(CCCC2)C1=O 527244551 NMLXEVZGBNEYAP-HZMBPMFUSA-N 322.365 -0.122 30 20 DBED CN(C(=O)CNS(=O)(=O)c1cccc(C#N)c1)C1CC(O)C1 562192774 COHKEQCTXNRUCP-UHFFFAOYSA-N 323.374 -0.182 30 20 DBED C=CCn1cc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)nn1 564857181 JPZNBLRUDMURRK-GFCCVEGCSA-N 307.314 -0.281 30 20 DBED N#CCCC1CCN(C(=O)C(=O)N2CCO[C@@H](CN)C2)CC1 566233630 DZCAYJPQECSRRB-ZDUSSCGKSA-N 308.382 -0.285 30 20 DBED N#CCC1(CS(=O)(=O)N(CCO)CCOCCO)CC1 571464410 VIDXKRHKQUMIBA-UHFFFAOYSA-N 306.384 -0.687 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1CC([C@@H](C)C(=O)O)C1 571927307 VNWXXCKDUCGBCP-SNVBAGLBSA-N 319.383 -0.254 30 20 DBED C[C@@H]1CN(c2c(C#N)c(=O)n(C)c(=O)n2C)C[C@@H](C)S1=O 581523223 LCWSABQLSWUCIQ-RKDXNWHRSA-N 310.379 -0.699 30 20 DBED C[C@H]1C(=O)N(C)CCN1C(=O)C(=O)Nc1cccc(C#N)n1 592290597 LQOCKPDRRXGHQJ-VIFPVBQESA-N 301.306 -0.419 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)NCC[C@@]1(O)CCCOC1 593661689 URMSABZQPHCFDC-RYUDHWBXSA-N 305.400 -0.014 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1CC[C@@H]2NC(=O)CC[C@H]2C1 595743070 PPZKTJNDFLPWFR-SRVKXCTJSA-N 308.382 -0.013 30 20 DBED CNS(=O)(=O)CCNC[C@H](O)COc1ccccc1C#N 600736367 XZJOXHHXUGSIGH-LBPRGKRZSA-N 313.379 -0.563 30 20 DBED C[C@@H](NS(=O)(=O)c1cccnc1C#N)[C@@H]1CN(C)CCO1 617474975 GQMCDGCXNNOSBE-PWSUYJOCSA-N 310.379 -0.049 30 20 DBED C=CCCOCCNC(=O)C(=O)NC[C@@H]1CC(=O)N(CC)C1 653419590 MXURKGLJQADXQB-LBPRGKRZSA-N 311.382 -0.320 30 20 DBED C#CC[C@@H](CO)NS(=O)(=O)c1n[nH]cc1C(=O)OCC 717769680 KICQAEGRFMCSOG-QMMMGPOBSA-N 301.324 -0.751 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCCN(CC)S(C)(=O)=O 730280115 MAOWPLZYEMXFBZ-ZDUSSCGKSA-N 315.439 -0.128 30 20 DBED N#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCNC(=O)C1 761024136 FHXWLWRTDKHARB-UHFFFAOYSA-N 320.280 -0.375 30 20 DBED C#C[C@@H](NC(=O)N1CCN(C(C)(C)C(N)=O)CC1)[C@@H]1CCCO1 776225605 QFMHKAOVUVJRQR-OLZOCXBDSA-N 322.409 -0.242 30 20 DBED C#CCOCCNC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C 784365881 LUZHIVQQRVQRPI-AWEZNQCLSA-N 324.425 -0.122 30 20 DBED CN1CCC2(CC1)NC(=O)N(CN1CC[C@](F)(C#N)C1)C2=O 786108747 SPKHTJAXIRABAD-ZDUSSCGKSA-N 309.345 -0.102 30 20 DBED C#CCC[C@@H](O)CNC(=O)C1CCN(S(=O)(=O)CC)CC1 799080935 OPMBDENNRRDFCP-CYBMUJFWSA-N 316.423 -0.061 30 20 DBED C#C[C@H](NC(=O)C(=O)NCCCO[C@@H]1CCOC1)[C@H]1CCCO1 808274135 KMSMFXPEHNJFGU-HZSPNIEDSA-N 324.377 -0.405 30 20 DBED C#CCCS(=O)(=O)NC(=O)COc1ccc(C(N)=O)cc1 810779791 AWOQJJPYRQBHTN-UHFFFAOYSA-N 310.331 -0.366 30 20 DBED C#CC[C@@H](NS(=O)(=O)CC(C)(C)C(=O)OC)C(=O)OC 841538747 CVJMRHIEDNZPGW-SECBINFHSA-N 305.352 -0.330 30 20 DBED CC#CC[C@H](CO)NC(=O)c1cc(S(N)(=O)=O)ccc1F 844116567 ZFMOKBBZESYCKJ-SECBINFHSA-N 314.338 -0.023 30 20 DBED Cc1nn(CC(=O)[C@@H](C#N)C(=O)NC2CCCC2)c(=O)n1C 847625477 MXCSFMYLATWOJW-LLVKDONJSA-N 305.338 -0.342 30 20 DBED N#Cc1ccc(N2CCN(C(=O)C(=O)NC3CNC3)CC2)cc1 884693317 UXYCDNITMJMKAC-UHFFFAOYSA-N 313.361 -0.705 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1C[C@H]2CC[C@H]1[C@@H](O)C2 885816945 PQXQASMCHDKZCO-AVGNSLFASA-N 317.411 -0.062 30 20 DBED C#CC1(O)CN([C@H](C)C(=O)N2CCC[C@H](C(=O)OCC)C2)C1 934447061 LHBZAFDOHXPJOW-OLZOCXBDSA-N 308.378 -0.144 30 20 DBED NC(=O)c1cc(C(=O)N[C@H]2CCN(C(=O)C#CC3CC3)C2)c[nH]1 937984710 BYRUVBMNSDVNAZ-LBPRGKRZSA-N 314.345 -0.142 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@@H](NC(=O)[C@H]3COC(=O)N3)C2)c1 940234024 HOAGGNNUCBQJLZ-MWLCHTKSSA-N 317.305 -0.675 30 20 DBED C[C@@H](C#N)C(=O)N1CCCN(C(=O)c2ccc(=O)n(C)n2)CC1 942152885 JRBUDRURNOHLSX-NSHDSACASA-N 317.349 -0.386 30 20 DBED O=C(NC[C@H]1CN(C(=O)C#CC2CC2)CCO1)[C@H]1CCOC1 944506233 DKDDLQJFXDVPLI-KBPBESRZSA-N 306.362 -0.220 30 20 DBED C[C@H](C#N)C(=O)N1CCC2(CC1)CN(C(=O)[C@@H]1CCC(=O)N1)C2 945031224 RYFDBZDJSJEKGQ-NEPJUHHUSA-N 318.377 -0.124 30 20 DBED C=CCN1CC(N(CC)C(=O)[C@@H]2CCN(C)S2(=O)=O)C1 952446705 VTKMGGSQNZYMIT-LBPRGKRZSA-N 301.412 -0.261 30 20 DBED C[C@H](C#N)C(=O)N1CC(N(C)C(=O)[C@@H]2CCN(C)C(=O)C2)C1 954716669 LSHFJFDUDYTPGY-GHMZBOCLSA-N 306.366 -0.316 30 20 DBED C=CCCN1C[C@@H](O)[C@H](CNC(=O)c2cccn3nnnc23)C1 958092765 XVYSEGSTTCAJBH-DGCLKSJQSA-N 316.365 -0.277 30 20 DBED C=CCn1cccc1C(=O)NC[C@H]1CN(CC(N)=O)C[C@@H]1O 958138858 JDKIUUQWTCPDAY-AAEUAGOBSA-N 306.366 -0.818 30 20 DBED C#CCCN1C[C@@H](O)[C@@H](CNC(=O)c2cnc3n2CCC3)C1 958150189 ZREFLVPVSZRGTO-GXTWGEPZSA-N 302.378 -0.125 30 20 DBED C=CCN1C[C@H](CNC(=O)c2cncc(C(N)=O)c2)[C@@H](O)C1 958698098 SURBAKVTOBUUBK-STQMWFEESA-N 304.350 -0.611 30 20 DBED C#CCCN1C[C@@H](O)[C@H](CNC(=O)c2cc(C(N)=O)cs2)C1 958727488 GBJNICDIHIUDFR-VXGBXAGGSA-N 321.402 -0.107 30 20 DBED CCc1nc[nH]c1C(=O)N(C)[C@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1O 958918881 NUNIRTHCIGEEGS-DLOVCJGASA-N 319.365 -0.225 30 20 DBED N#CCN1C[C@H]2[C@H](NC(=O)c3ccc(S(N)(=O)=O)o3)[C@H]2C1 960774812 NMXDFJQUZXIJFL-VROVMSAKSA-N 310.335 -0.889 30 20 DBED C#CCN1C[C@H]2[C@H](NC(=O)CN3CCCCS3(=O)=O)[C@H]2C1 961138394 BGQUEFSJAOYENU-IMRBUKKESA-N 311.407 -0.908 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CN(C(=O)C3(CF)CC3)C[C@@H]2O)c1 962133543 IWJIUMLLBZXNTJ-NEPJUHHUSA-N 320.324 -0.062 30 20 DBED C=C(Cl)CN[C@@H]1CCN(C(=O)CC[C@@H]2NC(=O)NC2=O)C1 970671135 ROMWECYPHYIIQQ-ZJUUUORDSA-N 314.773 -0.082 30 20 DBED C=CCN[C@H]1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)[C@@H]1C 987187069 AFYZSTRCCMVMOX-NEPJUHHUSA-N 306.366 -0.308 30 20 DBED CN1CCO[C@@H](C(=O)N2CC(NC(=O)c3ccc(C#N)[nH]3)C2)C1 990890629 SVEJDVHRDIQKSW-CYBMUJFWSA-N 317.349 -0.842 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CN(C(=O)c2cnon2)C1 992032885 VNNADCQUZQJEOE-JQWIXIFHSA-N 306.322 -0.009 30 20 DBED Cn1cc(C(=O)N[C@@]23CCC[C@H]2N(CC#N)CC3)c(O)nc1=O 992496943 OVOSXTMNMKWRIA-IAQYHMDHSA-N 317.349 -0.264 30 20 DBED C#CCN1CC[C@]2(NC(=O)C[C@H]3CC(=O)NC3=O)CCC[C@@H]12 992543416 GPPGJLNSKHJTGA-XHBSWPGZSA-N 303.362 -0.214 30 20 DBED C#CCN[C@@H]1CCCN(C(=O)CCn2cc[nH]c(=O)c2=O)C1 1000467275 PVHZVVBOOLWALT-GFCCVEGCSA-N 304.350 -0.860 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)c2cnn[nH]2)C1 1006388711 JFKIKRATGRIEDF-XWIASGKRSA-N 319.365 -0.028 30 20 DBED C=C1CC(C)(C(=O)N2CC([C@H](C)NC(=O)[C@H]3CNC(=O)N3)C2)C1 1006744659 GIDKRZDKSLZKGN-CMPLNLGQSA-N 320.393 -0.013 30 20 DBED C=C(C)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)C(N)=O)C2)C1 1007710137 IFBHNSFMRGJPPM-INIZCTEOSA-N 323.393 -0.096 30 20 DBED C=C(Cl)CN1CCC[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 1008702396 FVZVUMJCUISICB-UWVGGRQHSA-N 314.773 -0.082 30 20 DBED CC(=O)N1CC[C@H](C(=O)N2CCN(C(=O)[C@@H](C)C#N)CC2)C1 1011986679 XPHMHHAKOQEQGY-AAEUAGOBSA-N 306.366 -0.315 30 20 DBED C=C(C)CCN1CC[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C1 1016283545 LWDKAFJIQIPPDN-NWDGAFQWSA-N 301.412 -0.165 30 20 DBED C=C(Cl)CN[C@H]1CCN(C(=O)[C@H]2CCN(C)S2(=O)=O)C1 1019498692 NLEJFIHVJALZPD-WDEREUQCSA-N 321.830 -0.037 30 20 DBED CC(=O)N1CCOC[C@@H]1C(=O)NC[C@@H]1CCCCN1CC#N 1024807848 XLKPTNRVMMRKEM-UONOGXRCSA-N 308.382 -0.272 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2CCN(CC(=O)N(C)C)C2)nn1 1028852523 KITKEFIGCYQOCQ-LBPRGKRZSA-N 320.397 -0.396 30 20 DBED C=CCN1CC[C@H](N2CC(CNC(=O)c3[nH]nnc3C)C2)C1=O 1031894935 YVOMZDCBBVXEGP-LBPRGKRZSA-N 318.381 -0.438 30 20 DBED CC#CCN1CC(CNC(=O)c2cn([C@H]3CCOC3)nn2)C1 1032112900 OCLBAZCXOJLWBF-ZDUSSCGKSA-N 303.366 -0.076 30 20 DBED C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)CN1CC(=O)N(C)C1=O 1032728998 PEBUTQOQRNSYSA-RYUDHWBXSA-N 304.350 -0.811 30 20 DBED CNC(=O)[C@H](C)N1CCO[C@@H](CNC(=O)c2c[nH]c(C#N)c2)C1 1035338648 PSWDMORGAHGMIP-GWCFXTLKSA-N 319.365 -0.549 30 20 DBED C#CCCN1CCO[C@@H](CNC(=O)c2cnc3n2CCOC3)C1 1035403529 DGOUSBPJGZTKEQ-ZDUSSCGKSA-N 318.377 -0.133 30 20 DBED N#CCN1CCO[C@H](CNC(=O)[C@@H]2CCc3nncn3C2)C1 1035610495 XJOZIOOUCYLZPT-VXGBXAGGSA-N 304.354 -0.819 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@@H](NCC(N)=O)[C@@H](C)C2)cn1 1036264166 LPVQGIKKPHJIOX-SMDDNHRTSA-N 300.362 -0.012 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2[C@H]3C[C@H]2N(CC(=O)N(C)C)C3)c1 1037583413 XMTWADNUIZHVFA-SQWLQELKSA-N 312.373 -0.046 30 20 DBED C#CCNC1C[C@@H]2CCC[C@H](C1)N2C(=O)[C@@H]1CC(=O)NC(=O)N1 1039302250 ZSKUYMATDKHYJN-WVMKXHBISA-N 318.377 -0.281 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@]1(O)CCN(C(=O)COCC)C1 1039722124 RSXGZSNMRJCKHM-DOMZBBRYSA-N 312.366 -0.859 30 20 DBED CC(=O)N1CCOC[C@H]1C(=O)N1C[C@@H]2CCC[C@H](C1)N2CC#N 1040009781 CKSNOMWCBYDMNY-ZNMIVQPWSA-N 320.393 -0.177 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)c2cnn(C)c2)C1 1041413580 XSZIJKGMWOXHPR-UHFFFAOYSA-N 304.350 -0.617 30 20 DBED Cc1c(C(=O)NCC2(O)CN(C(=O)C#CC(C)C)C2)cnn1C 1041479481 VREVTYVPDZJUAJ-UHFFFAOYSA-N 318.377 -0.309 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)CCCOC)C1 1041670241 FNJZUMQRPADOIW-LBPRGKRZSA-N 312.366 -0.859 30 20 DBED CC#CCN1CC[C@@]2(CCN(C(=O)C[C@H]3CC(=O)NC3=O)C2)C1 1041862358 YTQKYVWHEVHYNJ-CXAGYDPISA-N 317.389 -0.013 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)[C@@H]2CCCCO2)C1 1042567821 FNCDNJYUXLMORP-OLZOCXBDSA-N 324.377 -0.717 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)c2ncccc2O)C1 1042712790 INKCXAQZSHYVCV-UHFFFAOYSA-N 321.333 -0.707 30 20 DBED C=CCCOCC(=O)NCC1(O)CN(C(=O)Cc2ccc[nH]2)C1 1043571095 MCQVLZVIQIRALB-UHFFFAOYSA-N 321.377 -0.161 30 20 DBED C=CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2ccnnc2)C1 1043575905 LIPMUGURFHTXBP-NSHDSACASA-N 320.349 -0.629 30 20 DBED CC#CCN1CC(N(C)C(=O)CN2C(=O)NC(=O)C2(C)C)C1 1044141380 PQVIVFXFIKPQDH-UHFFFAOYSA-N 306.366 -0.517 30 20 DBED C=C(C)CCC(=O)N1CC(O)(CNC(=O)[C@H]2CC[C@H]2C(N)=O)C1 1044442761 JJFWIAAQWHYQJY-NEPJUHHUSA-N 323.393 -0.456 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(O)(CNC(=O)[C@@H](F)CC)C1 1044801175 QBEQTRWBASFKFC-GWCFXTLKSA-N 302.346 -0.249 30 20 DBED COCc1nc(C(=O)N2CC(O)(CNC(=O)[C@@H](C)C#N)C2)co1 1045546437 MCFCJSRJYIOZQT-VIFPVBQESA-N 322.321 -0.716 30 20 DBED N#CCN1[C@H]2CC[C@H]1CN(C(=O)CN1CCOCC1=O)CC2 1045796005 JAIZBSXABUMOER-STQMWFEESA-N 306.366 -0.566 30 20 DBED C[C@]1(NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)CCN(CC#N)C1 1046322756 WSDBSVAWQCWPJW-ABAIWWIYSA-N 316.365 -0.133 30 20 DBED C=CCCn1cc(C(=O)N[C@]2(C)CCN(CC(=O)NC)C2)nn1 1046689803 OUCVRELWZZAHBS-OAHLLOKOSA-N 320.397 -0.206 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCN(C)C(=O)C2)C1 1047433827 QVPZAZWQQBAEQS-RDBSUJKOSA-N 307.394 -0.618 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cc(OC)nc(OC)c2)C1 1047443361 DZJBWXDYXXAXOI-STQMWFEESA-N 319.361 -0.151 30 20 DBED Cc1nc(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)C#N)C2)co1 1049394189 IHZDTVGHAYAZEJ-ZHAHWJHGSA-N 306.322 -0.214 30 20 DBED N#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)CN1CCNC(=O)C1 1049640945 YGPJAKGUBTXOGG-STQMWFEESA-N 305.382 -0.993 30 20 DBED C=C(Cl)CN1CCOC[C@@H]1CNC(=O)[C@H]1CN(C)C(=O)N1 1051064681 RFIYWHGOVGDPLX-WDEREUQCSA-N 316.789 -0.421 30 20 DBED CCCn1nc(C(=O)NC[C@@H]2COCCN2CC#N)ccc1=O 1051238334 LATJHKXZCKNHAP-GFCCVEGCSA-N 319.365 -0.393 30 20 DBED C#CCN1CCN([C@@H]2CCN(C(=O)C[C@@H]3CCNC3=O)C2)CC1 1052036506 NTVUJDTWSJZUNE-LSDHHAIUSA-N 318.421 -0.636 30 20 DBED C#CCN1CCC[C@@H](NC(=O)[C@@H]2COCCN2C(C)=O)CC1 1052947366 OKWWPUCSIVCOMB-CABCVRRESA-N 307.394 -0.162 30 20 DBED C=CCN1CC2(C1)CN(C(=O)c1cn(CCOC)nn1)CCO2 1053251113 YVVWNFFEJBGZSG-UHFFFAOYSA-N 321.381 -0.363 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)[C@@H]3CCc4nccn4C3)CO2)C1 1053852185 HWJFWDJMLWIGSS-OLZOCXBDSA-N 315.377 -0.071 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)c3ccc(C(N)=O)o3)CO2)C1 1053863860 RVVROBOCKXVSRD-LLVKDONJSA-N 317.345 -0.025 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)[C@H]3CCNC(=O)CC3)CO2)C1 1053882071 SFQTUMXMRGHTMZ-NEPJUHHUSA-N 306.366 -0.614 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)[C@H]3CCCC(=O)N3C)CO2)C1 1053997934 ZWAUMLMQXGYNOZ-ZIAGYGMSSA-N 319.405 -0.020 30 20 DBED N#Cc1nccnc1N1CCN(C(=O)[C@H]2CCC(=O)N2)CC1 1055746310 PSKMJRJWUKIEFR-SNVBAGLBSA-N 300.322 -0.725 30 20 DBED C=C1CC(C)(C(=O)N2CCC[C@](CO)(NC(=O)C(N)=O)C2)C1 1056089114 KQDXIWBTMYATKH-HNNXBMFYSA-N 309.366 -0.702 30 20 DBED CCCN(C)CC(=O)N1CCC[C@](CO)(NC(=O)[C@H](C)C#N)C1 1056096836 KTEPJYZXFBIBBV-CJNGLKHVSA-N 324.425 -0.042 30 20 DBED Cc1cc(C#N)nc(N[C@@H]2CCN(C(=O)[C@H]3CCC(=O)N3)C2)n1 1056590746 HFXLEZWOFDRJPR-ZYHUDNBSSA-N 314.349 -0.052 30 20 DBED CC(=O)NCC(=O)N(CCO)CCNC(=O)C#CC(C)(C)C 1056814919 JYVUNNGAWIFESP-UHFFFAOYSA-N 311.382 -0.891 30 20 DBED C=C[C@@](C)(O)CC(=O)N(CCO)CCNC(=O)Cc1ccc[nH]1 1057451531 NHXITGDZUBZHHS-MRXNPFEDSA-N 323.393 -0.179 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)Cc1cncnc1 1057454710 UZARPOURFJWISS-UHFFFAOYSA-N 318.377 -0.240 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCN(CCO)C(=O)[C@H](O)C(C)C 1057485454 KQEGENMTNUVCQA-UKRRQHHQSA-N 316.398 -0.733 30 20 DBED N#Cc1nccc(N2CCC(NC(=O)[C@@H]3CCC(=O)N3)CC2)n1 1057886190 DBGGMBOYQRWNJN-NSHDSACASA-N 314.349 -0.288 30 20 DBED C[C@@H](C(=O)N[C@@H]1CCN(c2ccnc(C#N)n2)C1)n1cncn1 1058318786 GFXJUBNDYCCIJD-WDEREUQCSA-N 312.337 -0.104 30 20 DBED C=C[C@@H](CC)CC(=O)NCCN(CCO)C(=O)c1nc[nH]n1 1058388331 AZVBQSLWPBVUIU-NSHDSACASA-N 309.370 -0.042 30 20 DBED N#Cc1ccc(N[C@H]2CCN(C(=O)CN3CCOCC3)C2)nn1 1058862800 SIYARRPDJUOBEE-ZDUSSCGKSA-N 316.365 -0.307 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](CCNC(=O)CC(=O)N(C)C)C1 1060294629 LLXQCIQEIPBFSW-NEPJUHHUSA-N 308.382 -0.021 30 20 DBED CS(=O)(=O)CC(=O)N1CC[C@H](CNc2cncc(C#N)n2)C1 1060822680 DBAOBGQCTHLONZ-SNVBAGLBSA-N 323.378 -0.347 30 20 DBED C=CCCOCC(=O)NC[C@@H]1COCCN1C(=O)c1nc[nH]n1 1061667177 AFSXQNGBAQQOIX-LLVKDONJSA-N 323.353 -0.645 30 20 DBED C#CCOCCC(=O)N1CCOC[C@@H]1CNC(=O)[C@H](C)C#N 1061852959 OVEPENAFIXDOTM-OLZOCXBDSA-N 307.350 -0.470 30 20 DBED N#Cc1c(Cl)nsc1N1C[C@@H]2C[C@H]1CN2C(=O)C(N)=O 1062566058 NJRPDKVLCPFBAB-WDSKDSINSA-N 311.754 -0.057 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)[C@H]2CN(C)CCO2)CCC1 1062746463 LUBLFUKTGJBVFN-VXGBXAGGSA-N 308.382 -0.368 30 20 DBED CN(C(=O)Cn1cnnn1)[C@@H]1CCN(c2ccc(C#N)cn2)C1 1062882628 AHUDITGHTUGMOL-GFCCVEGCSA-N 312.337 -0.323 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@H]1CN(C(=O)CCOC)CCO1 1064706862 YXRMWAQNAVCMAO-WFASDCNBSA-N 314.382 -0.306 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(C(=O)Cc2cc[nH]n2)CCO1 1065004961 LFWDKDBGXLJZGA-CQSZACIVSA-N 316.361 -0.291 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CN(C(=O)CCc2nc[nH]n2)CCO1 1065025378 KMPACYMTRYHFJH-MNOVXSKESA-N 320.353 -0.759 30 20 DBED C#CCOCCC(=O)N1CCO[C@@H](CNC(=O)c2cn[nH]c2)C1 1065149664 CXUDFSFQJGLCAN-ZDUSSCGKSA-N 320.349 -0.593 30 20 DBED C=CC(C)(C)C(=O)N1CCO[C@H](CNC(=O)Cn2cnnn2)C1 1065420683 MZAKCGDQLJMRSD-LLVKDONJSA-N 322.369 -0.771 30 20 DBED C=CCCCC(=O)NC[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)CCO1 1065540883 VTIKARPCNFGVQS-VXGBXAGGSA-N 324.381 -0.632 30 20 DBED N#Cc1nccnc1N1CC[C@H]2[C@@H]1CCCN2C(=O)CC(N)=O 1066126290 DVDMITDESRWRNO-RYUDHWBXSA-N 314.349 -0.207 30 20 DBED N#Cc1ccc(N2C[C@@H]3C(CNC(=O)c4cnon4)[C@H]3C2)nn1 1068180815 RHGGHDRIZGTTDG-GHMZBOCLSA-N 311.305 -0.157 30 20 DBED CC(=O)N(C)CC(=O)N1CC2(C1)CN(C(=O)[C@@H](C)C#N)CCO2 1068451732 RCHDCRPAMWRRCE-NSHDSACASA-N 322.365 -0.936 30 20 DBED CO[C@@H](C)C(=O)N1CC2(C[C@H](NC(=O)C#CC3CC3)CO2)C1 1068860741 QLXGECIVVNVDJQ-AAEUAGOBSA-N 306.362 -0.079 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](n2ccnn2)[C@H](NCc2cnon2)C1 1070161116 VKIAUOJKSKHOPS-WCQGTBRESA-N 316.325 -0.638 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1 1070633831 YFJLUBVXDYWUHP-GFCCVEGCSA-N 317.349 -0.257 30 20 DBED C=CCN1C[C@H]2C[C@H]3CN(C(=O)Cn4cncn4)C[C@@]3(C1)O2 1070887741 STYVMZHCKFKUSN-GZBFAFLISA-N 303.366 -0.234 30 20 DBED Cn1ccc(C(=O)N2CCC(=O)NCCN(CC#N)CC2)n1 1071020677 OUBGLOZHZPMZAB-UHFFFAOYSA-N 304.354 -0.792 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCCN(C(=O)[C@H](C)CC(N)=O)C1 1071071102 AYCMAJCUVJSKCY-CHWSQXEVSA-N 323.393 -0.355 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H](C)[C@H](NC(=O)COC(C)C)C1 1071937025 XBNXMCIOQCSWQW-QWHCGFSZSA-N 323.393 -0.486 30 20 DBED C#CCOCCC(=O)N1C[C@H](C)[C@H](NC(=O)c2ncn(C)n2)C1 1072097872 SCCPKODXVSHYGA-NWDGAFQWSA-N 319.365 -0.568 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1C 1072632084 IMZUVQLVJYYVAW-VXGBXAGGSA-N 323.393 -0.192 30 20 DBED C=CCn1cccc1C(=O)NC[C@@H]1CN(CC(N)=O)CCCO1 1073637127 QYUDZOIKZAYPAG-CYBMUJFWSA-N 320.393 -0.020 30 20 DBED CC#CCN1CCO[C@H]2CCN(C(=O)Cn3nccn3)C[C@H]21 1074255236 BAYSISYCESLSTG-KGLIPLIRSA-N 303.366 -0.397 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CCN(C(=O)c2ccncn2)CC1 1074687276 HNVXNFKKWRDBNH-LLVKDONJSA-N 317.349 -0.280 30 20 DBED C#CCN1C[C@@H]2CCN(C(=O)Cn3nc(C)ccc3=O)[C@@H]2C1 1076485965 VSYAQLZJYQSHKE-UONOGXRCSA-N 300.362 -0.282 30 20 DBED CC(=O)N1CCO[C@@H](C(=O)N2CC[C@H]3CN(CC#N)C[C@H]32)C1 1076517183 KHZIWKSKPMJSNG-BFHYXJOUSA-N 306.366 -0.710 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)c2ccc3c(c2)NC(=O)C3)C1 1077050033 VCPDHPVWMMTIKI-HUUCEWRRSA-N 313.357 -0.021 30 20 DBED C[C@@H](CCNC(=O)[C@@H]1CCCN1C(N)=O)NC(=O)[C@@H](C)C#N 1077195118 JZYUNAJGGMNOMH-DCAQKATOSA-N 309.370 -0.300 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)c2ccn(C)c(=O)c2)C1 1077247468 YUFGJDYSYJSQTH-VXGBXAGGSA-N 311.769 -0.087 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H](C)CCNC(=O)c1[nH]nnc1C 1077704832 MMPJEAJYWQKOFS-ONGXEEELSA-N 307.354 -0.224 30 20 DBED C=CC(C)(C)C(=O)NCC[C@H](C)NC(=O)Cn1ncn(C)c1=O 1077742785 HDEXEJOOJAZQCZ-NSHDSACASA-N 323.397 -0.195 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)c2nc3ncccn3n2)C1 1077867714 ZUHGXHRBEPFPHM-GHMZBOCLSA-N 302.338 -0.525 30 20 DBED C=CCOCC(=O)N(CC)C1CN(C(=O)CCNC(N)=O)C1 1079493127 ZHWUWKGNIWOJDR-UHFFFAOYSA-N 312.370 -0.693 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)Cn2cccn2)C[C@H]1O 1081344064 LRNUCHWWMHOCGT-CHWSQXEVSA-N 322.365 -0.979 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2cc[nH]c2)C[C@H]1O 1081346882 NRRLIAFGUMQASN-CHWSQXEVSA-N 307.350 -0.234 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2ncc[nH]2)C1 1081455088 ILGQPCCYGABLNM-NEPJUHHUSA-N 304.350 -0.238 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cc[nH]c2)C1 1081539226 KRTUMRIPBFEBIH-QWHCGFSZSA-N 307.350 -0.234 30 20 DBED C=CC(C)(C)C(=O)NC[C@@H]1CN(C(=O)Cc2nc[nH]n2)C[C@@H]1O 1081642267 DNSFJYYSEKUPCP-MNOVXSKESA-N 321.381 -0.505 30 20 DBED C=CC(C)(C)C(=O)NC[C@H]1CN(C(=O)c2[nH]nnc2C)C[C@@H]1O 1081644490 BHHFKBPUIPNXHH-QWRGUYRKSA-N 321.381 -0.126 30 20 DBED C=CCCCC(=O)NC[C@H]1CN(C(=O)c2nnn(C)n2)C[C@@H]1O 1081703785 UXQAZEGORGDIGU-QWRGUYRKSA-N 322.369 -0.885 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCCC[C@H]1CNC(=O)CC(=O)NC 1082076309 VICQUUQSHPBSEN-STQMWFEESA-N 323.393 -0.342 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CN(CC)CCO1 1083279238 QNPHSMHJKUSKNI-XHSDSOJGSA-N 321.421 -0.358 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CN3CC4CC3(CO2)C4)C1 1083654430 NVJHWTJNWQIFCN-MXIHSMQYSA-N 307.394 -0.803 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1O 1090408467 RFXDZIRVAVLZDT-FMKPAKJESA-N 316.361 -0.054 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(c2nc(C)ns2)C[C@H]1O 1090488562 LTDYPYGPLITBMC-FBIMIBRVSA-N 310.379 -0.449 30 20 DBED CCCN(C)CC(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@@H]1O 1091130256 WZHKSPIRIQBZFW-OLZOCXBDSA-N 318.381 -0.644 30 20 DBED C[C@H](NC(N)=O)C(=O)N[C@H]1CCN(c2cnc(C#N)cn2)[C@@H]1C 1091963335 QMRIQDJHNBGJBB-NGZCFLSTSA-N 317.353 -0.512 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CCN(c2ccc(C#N)cn2)C[C@H]1O 1092149344 XNMQETKJUUNGRZ-VXGBXAGGSA-N 317.349 -0.855 30 20 DBED CC(=O)N(C)CC(=O)N[C@H]1[C@@H]2CN(c3ccc(C#N)cn3)C[C@@H]21 1093218885 WZKQMXAGTMLSAP-VIKVFOODSA-N 313.361 -0.018 30 20 DBED N#Cc1ccc(N2C[C@@H]3C(NC(=O)CCn4ccnn4)[C@H]3C2)nn1 1093260161 GQWRZIHNDKHULD-RYUDHWBXSA-N 324.348 -0.419 30 20 DBED C#CCCN1CC(N2C[C@@H](NC(=O)c3cnon3)CC2=O)C1 1094799640 NQLFKKWEQCAOLS-JTQLQIEISA-N 303.322 -0.892 30 20 DBED CNC(=O)NCC(=O)N[C@@H]1CCN(c2ccc(C#N)c(C)n2)C1 1096493514 UITDFZGWEMWUIF-GFCCVEGCSA-N 316.365 -0.114 30 20 DBED N#Cc1nccnc1N[C@H](CNC(=O)Cn1cncn1)C1CC1 1096675867 MOTJXRCQPPDFOF-GFCCVEGCSA-N 312.337 -0.053 30 20 DBED Cc1cc(=N[C@H]2C[C@H](NC(=O)CNC(N)=O)C2)c(C#N)c[nH]1 1096984131 PAWSXSSIADKXAP-XYPYZODXSA-N 302.338 -0.589 30 20 DBED CNC(=O)C1(C(=O)N[C@H]2C[C@@H](Nc3ccc(C#N)nn3)C2)CC1 1097197905 RASVRKUFKFVJBR-PHIMTYICSA-N 314.349 -0.066 30 20 DBED C=CCCN(CCO)C1CCN(C(=O)[C@@H]2CN(C)C(=O)N2)CC1 1098447168 BOLNMIKXENDPSL-AWEZNQCLSA-N 324.425 -0.129 30 20 DBED C[C@@H](CCNC(=O)[C@H]1COC(=O)N1)N=c1cc[nH]cc1C#N 1099076929 ICZONSRIBXIVMU-JOYOIKCWSA-N 303.322 -0.210 30 20 DBED Cc1nc(CN2CC[C@@H](NC(=O)C#CC3CC3)[C@@H](O)C2)n[nH]1 1099827317 VOAKNENHBSXSPM-OLZOCXBDSA-N 303.366 -0.422 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2ccnnc2)[C@H](O)C1 1100013935 VRXFOXJZLVYNOC-UONOGXRCSA-N 304.350 -0.709 30 20 DBED CN(CCNC(=O)Cn1ccccc1=O)c1ccnc(C#N)n1 1100108931 NPPNEXDEIMWFFQ-UHFFFAOYSA-N 312.333 -0.237 30 20 DBED CN(CCNC(=O)CNC(=O)C1CCC1)c1ccnc(C#N)n1 1100154357 GETCWQAZNVPOMO-UHFFFAOYSA-N 316.365 -0.183 30 20 DBED CN(CCNC(=O)c1coc(C(N)=O)c1)c1ccc(C#N)nn1 1100244603 WCUSKIWQSSMSMI-UHFFFAOYSA-N 314.305 -0.094 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)Cc2ccnn2C)C1 1100287169 FPOBCULETXPRDL-UHFFFAOYSA-N 317.393 -0.804 30 20 DBED CN(CCNC(=O)COc1cnn(C)c1)c1ccc(C#N)nn1 1100301128 XNBIBFJKUOUKBB-UHFFFAOYSA-N 315.337 -0.287 30 20 DBED C=CCCNC1CC(CNC(=O)Cn2cnc(C(N)=O)n2)C1 1100346693 SMFXZHZVVSVXSD-UHFFFAOYSA-N 306.370 -0.563 30 20 DBED CN(CCNc1ccc(C#N)nn1)C(=O)[C@@]1(C)CCNC1=O 1101959217 KMXPKQCDIHXLNJ-AWEZNQCLSA-N 302.338 -0.255 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCOC2)C1 1102747575 JXGVDUIFWSQTNU-RBSFLKMASA-N 321.421 -0.154 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CCNC1=O)CNc1nccnc1C#N 1104157141 GJGCJKRPSIHMKH-NXEZZACHSA-N 302.338 -0.351 30 20 DBED CC(=O)N[C@H](C)C(=O)N(C)[C@@H](C)CN=c1cc[nH]c(C#N)n1 1104478077 VQNWRXGDCUSJJT-VHSXEESVSA-N 304.354 -0.446 30 20 DBED C[C@H](O)CNCc1cn(C2CN(C(=O)C#CC3CC3)C2)nn1 1105233461 ZUKJGVVSKFXWAN-NSHDSACASA-N 303.366 -0.455 30 20 DBED Cc1nc(O)[nH]c1C(=O)N1CC(n2cc(CNCC#N)nn2)C1 1105264374 GYTPEQVLOYENOM-UHFFFAOYSA-N 316.325 -0.675 30 20 DBED CN1CCO[C@@H](C(=O)N(C)CCN(C)c2ccnc(C#N)n2)C1 1105355078 CYTWUOBWQJKQQQ-GFCCVEGCSA-N 318.381 -0.427 30 20 DBED CN(CCN(C)c1ccc(C#N)nn1)C(=O)[C@@H]1CC[C@@H]1C(N)=O 1105521399 ITBGMKKCMQUKJT-NWDGAFQWSA-N 316.365 -0.246 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H](O)CNC(=O)Cc1ccon1 1105763749 NXHMVZSXGJTWJO-GFCCVEGCSA-N 301.306 -0.505 30 20 DBED Cn1cnc(C(=O)NC[C@H](O)CNc2ccc(C#N)nc2)c1 1105791660 DHTGHIJXOUIIFI-GFCCVEGCSA-N 300.322 -0.110 30 20 DBED CN(C)C(=O)CC(=O)NC[C@@H](O)CNc1ncccc1C#N 1106134343 STRYCZYGAXGHRH-LLVKDONJSA-N 305.338 -0.679 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C[C@H]1C 1106707833 CVJFWTYYYZOWFL-UTUOFQBUSA-N 306.366 -0.708 30 20 DBED N#Cc1cnc(NC/C=C\CNC(=O)Cn2cnnn2)c(F)c1 1107027048 HDADCPHONYZKGR-UPHRSURJSA-N 316.300 -0.137 30 20 DBED C=CCNC(=O)CN1CCO[C@](C)(CNC(=O)C#CC2CC2)C1 1107931221 XANPNPYGDCSPEE-QGZVFWFLSA-N 319.405 -0.091 30 20 DBED CC#CCN1CC(N2C[C@H](NC(=O)C[C@H](C)OC)CC2=O)C1 1108517629 KSFNCRRPSPCSNI-QWHCGFSZSA-N 307.394 -0.164 30 20 DBED COCC#CCN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CNC(=O)OC)C2 1108630458 JPHBKKNYUGGCTK-IHRRRGAJSA-N 323.393 -0.039 30 20 DBED C#CCN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCNS(C)(=O)=O)C2 1108699768 LQXOWERGGGTREZ-AVGNSLFASA-N 313.423 -0.472 30 20 DBED CC(=O)N(C)CC(=O)N[C@H](C)CN(C)c1cnc(C#N)cn1 1108827131 HPLNIZVAUPLYKY-SNVBAGLBSA-N 304.354 -0.233 30 20 DBED C[C@H](CN(C)c1cncc(C#N)n1)NC(=O)CCn1ccnn1 1108917602 ISKLEDOAUYURRO-LLVKDONJSA-N 314.353 -0.029 30 20 DBED C[C@H](CN(C)c1cncc(C#N)n1)NC(=O)[C@]1(C)CCNC1=O 1109240524 NWKHLHRWGGMHAN-MEBBXXQBSA-N 316.365 -0.185 30 20 DBED N#Cc1ccc(NC[C@@H](NC(=O)Cn2ncnn2)C2CC2)nc1 1109918006 TVWOGHPIOQNDEG-GFCCVEGCSA-N 312.337 -0.053 30 20 DBED CCS(=O)(=O)CC(=O)NCC1(Nc2cncc(C#N)n2)CC1 1110157027 BQDHOBZLGZNNJO-UHFFFAOYSA-N 323.378 -0.156 30 20 DBED CN1C[C@H](C(=O)NCC2(Nc3cnc(C#N)cn3)CC2)NC1=O 1110301858 QIEAVOUNTOPBGT-SNVBAGLBSA-N 315.337 -0.567 30 20 DBED Cc1cc(C#N)nc(NC2(CNC(=O)[C@@H]3CCNC3=O)CC2)n1 1110301884 RBJRLACBSGPFNQ-LLVKDONJSA-N 314.349 -0.147 30 20 DBED C[C@@]1(NC(=O)CS(C)(=O)=O)CCN(c2cncc(C#N)n2)C1 1110718249 CVRJIHNXDQDZSI-CYBMUJFWSA-N 323.378 -0.522 30 20 DBED CN(C(=O)CSCC#N)[C@H]1CN(c2ncccn2)C[C@@H]1O 1111178886 KDEDMCGNHOBPJX-QWRGUYRKSA-N 307.379 -0.259 30 20 DBED Cc1c[nH]c(C(=O)N(CCO)CCNc2nccnc2C#N)n1 1111575182 NRFFMAFGMVJTEH-UHFFFAOYSA-N 315.337 -0.074 30 20 DBED C[C@H]1CN(C(=O)CNC(N)=O)C[C@@H]1Nc1ncccc1C#N 1112306550 HYKQCKKUYQHCAS-ONGXEEELSA-N 302.338 -0.120 30 20 DBED CO[C@@H](C)C(=O)NC1(CO)CCN(c2ccnc(C#N)n2)CC1 1112651301 LKMOKIJTWLUSSG-NSHDSACASA-N 319.365 -0.169 30 20 DBED CNC(=O)CC(=O)NC[C@H]1CN(c2ccncc2C#N)C[C@@H]1O 1112709167 GGFCNZBAENERFF-AAEUAGOBSA-N 317.349 -0.997 30 20 DBED C[C@@H](C#N)C(=O)N1CCN([C@@H](C)C(=O)NC(=O)NC2CC2)CC1 1112718214 FUKQHFIDLPRMGR-QWRGUYRKSA-N 321.381 -0.333 30 20 DBED O=C(CN1CCN(C(=O)C#CC2CC2)CC1)NC[C@@H]1CCCO1 1112824754 CYYPWANNFGCBDG-HNNXBMFYSA-N 319.405 -0.161 30 20 DBED C[C@H](CNC(=O)c1cnn(C)n1)N(C)c1nccnc1C#N 1113652186 RTMDVDYQJYMQCA-SECBINFHSA-N 300.326 -0.269 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCCNC1=O)N(C)c1ccc(C#N)nn1 1113743877 BZDQWTHQLFFSIZ-JQWIXIFHSA-N 316.365 -0.185 30 20 DBED C[C@H](CNC(=O)[C@H]1CCCC(=O)N1)N(C)c1ccc(C#N)nn1 1113750130 ZFIFBFASQFZOQE-ZYHUDNBSSA-N 316.365 -0.042 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)c3cnccn3)[C@H]2C1 1113790700 KTABHLXQXAQACM-NMKXLXIOSA-N 313.361 -0.726 30 20 DBED C[C@@H]1CCN(c2nccnc2C#N)C[C@@H]1NC(=O)CC(N)=O 1114007055 CMGQBLRFYORRIL-KOLCDFICSA-N 302.338 -0.445 30 20 DBED C=C[C@](C)(O)CC(=O)NC1[C@@H]2CN(Cc3n[nH]c(C)n3)C[C@@H]12 1114193956 JREIVFHVEIMGKA-HFAKWTLXSA-N 305.382 -0.013 30 20 DBED O=C(C#CC1CC1)NC1[C@@H]2CN(CCN3CCNC3=O)C[C@@H]12 1114256082 TUXUZZHIHHYEDI-CHWSQXEVSA-N 302.378 -0.529 30 20 DBED CC#CCN1C[C@H]2[C@H](NC(=O)[C@@H](C)NS(=O)(=O)CC)[C@H]2C1 1114311140 ILJLYRIIRKMCKG-NDBYEHHHSA-N 313.423 -0.616 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)c3coc(C(N)=O)c3)[C@@H]2C1 1114613999 VTUOFOCXLKXPEP-VXGBXAGGSA-N 317.345 -0.312 30 20 DBED C#CCN1C[C@H]2C(NC(=O)[C@@H](NC(=O)COC)C(C)C)[C@@H]2C1 1114939052 AYTFSNVUFSCDSI-BZPMIXESSA-N 307.394 -0.547 30 20 DBED COCC#CCN1C[C@@H]2C(NC(=O)c3ccc(OC)nn3)[C@H]2C1 1115069011 WOCPCVUOHICFNM-RYUDHWBXSA-N 316.361 -0.205 30 20 DBED COCC#CCN1C[C@@H]2C(NC(=O)CCCn3cncn3)[C@H]2C1 1115076976 QMTMQVUTBPGLNO-KBPBESRZSA-N 317.393 -0.246 30 20 DBED C#CCNC(=O)CC(=O)N(C)C[C@H](C)Nc1nccnc1C#N 1115684522 YXHMFGKITMXIQO-NSHDSACASA-N 314.349 -0.253 30 20 DBED COC[C@@](C)(C#N)NC(=O)CN(C)[C@@H]1CCS(=O)(=O)C1 1116778177 XERWFJLRPUWRAT-ZYHUDNBSSA-N 303.384 -0.850 30 20 DBED Cc1nccn1CCNC(=O)C(=O)N1CC[C@](O)(CC#N)C1 1118212372 PVBSICXWQJVCIP-CQSZACIVSA-N 305.338 -0.815 30 20 DBED Cc1cc(C(=O)NC[C@@H](CO)N=c2cc[nH]c(C#N)n2)no1 1121011174 VGFHZDDLEXZHDF-VIFPVBQESA-N 302.294 -0.731 30 20 DBED Cc1cc(=N[C@@H](CO)CNC(=O)c2cnn(C)c2)c(C#N)c[nH]1 1121024708 MEOWAJHLTCACJO-CYBMUJFWSA-N 314.349 -0.380 30 20 DBED Cc1cc(C#N)nc(N[C@H](CO)CNC(=O)COC(C)C)n1 1121277490 CASCEXSXKGZRDH-LBPRGKRZSA-N 307.354 -0.029 30 20 DBED Cc1cc(C(=O)NC[C@H](CO)Nc2ccc(C#N)nn2)ncn1 1121311741 VUAAXVHKHCRVHQ-LLVKDONJSA-N 313.321 -0.351 30 20 DBED N#Cc1c[nH]ccc1=N[C@H](CO)CNC(=O)CC1(O)CCC1 1121528654 PMSGKBFQSVDGBA-LBPRGKRZSA-N 304.350 -0.431 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)c2cncnc2O)nn1 1122170905 UVGGLTFCSPBVTC-SECBINFHSA-N 315.293 -0.953 30 20 DBED N#Cc1ccc(NC[C@H]2CC[C@H](NC(=O)CC(N)=O)C2)nn1 1123750307 ASBRFSYCPIBUCH-UWVGGRQHSA-N 302.338 -0.080 30 20 DBED CC(=O)N[C@@H](C)C(=O)N(C)C[C@H](O)CNc1ccc(C#N)cn1 1124059768 LUTGSJLNELSWHS-GXFFZTMASA-N 319.365 -0.291 30 20 DBED C=CCOCCCC(=O)NCCN[C@@H](C)C(=O)NC(N)=O 1125261564 XCKGJFRCUCPCRM-JTQLQIEISA-N 300.359 -0.742 30 20 DBED N#CCNC(=O)CNCCNC(=O)C1(c2ccccn2)CC1 1127246433 QZXMXASQRVXQGG-UHFFFAOYSA-N 301.350 -0.541 30 20 DBED C#CCNCc1nnc2n1CC[C@H](NC(=O)c1cnn[nH]1)CC2 1128006741 WXQLDIKAUMXQMW-SNVBAGLBSA-N 314.353 -0.746 30 20 DBED C#CCNC(=O)CNCCNC(=O)Cc1cc(C2CC2)no1 1129250451 TYBLDRPGSQNSDD-UHFFFAOYSA-N 304.350 -0.450 30 20 DBED C=CCCN[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1c1cn(C)cn1 1130542382 XUIKCQMMNPFSSU-WCQYABFASA-N 305.382 -0.244 30 20 DBED C[C@H](OCc1ccccc1)C(=O)NCCNCC(=O)NCC#N 1131188400 QGXBTBWBRQJTHE-ZDUSSCGKSA-N 318.377 -0.063 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H]2C[C@@H]3CN(C(C)C)C[C@]2(C1)O3 1131220107 IJTAPZMRCQGBQU-JJRVBVJISA-N 319.405 -0.164 30 20 DBED CC(C)C#CC(=O)N1CCC[C@H](N2CCN(CCO)CC2=O)C1 1131712760 XPVMULDAERYFRP-HNNXBMFYSA-N 321.421 -0.227 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)c2c(C)ncnc2O)C1=O 1132706831 ZGAYPFZIOFBLQI-NSHDSACASA-N 319.365 -0.403 30 20 DBED Cc1cc(C(=O)N[C@@H](C)C[C@@H](C)NCC(=O)NCC#N)n(C)n1 1133880523 KJBJNDZNJNIEMI-MNOVXSKESA-N 320.397 -0.145 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)c1ccn(CC)n1 1134770389 VNVDCPVTTAPKRI-UHFFFAOYSA-N 320.397 -0.015 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)c1cnn(CCOC)c1 1149345209 QTRSRXJHOXRRAL-LBPRGKRZSA-N 323.397 -0.460 30 20 DBED C=C(Cl)CN(CC)[C@H](C)CNC(=O)CN1CCNC(=O)C1 1154589177 SRZCEPIJYDWQSR-GFCCVEGCSA-N 316.833 -0.003 30 20 DBED C#CCNC(=O)CC(=O)NCCCNC[C@H](O)CC(F)(F)F 1156847816 HZEIHMYPUHZRAI-SNVBAGLBSA-N 323.315 -0.465 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1cn(C2CCC2)nn1 1158217549 QYZNVADPXRJQOB-UHFFFAOYSA-N 318.381 -0.538 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1cnc2ccccn12 1161467672 XMJUFVANVUCRJB-UHFFFAOYSA-N 313.361 -0.207 30 20 DBED C=CCNC(=O)CN1CC=C(CCNC(=O)c2nc[nH]n2)CC1 1161496985 MZEFEWJNZVTDJG-UHFFFAOYSA-N 318.381 -0.141 30 20 DBED C=CCNC(=O)CNCCCNC(=O)c1ccnc2[nH]nnc12 1162285440 QXLPBBRUEFMGFL-UHFFFAOYSA-N 317.353 -0.635 30 20 DBED N#CCN1CCN(Cc2ccc(CNC(=O)C(N)=O)cc2)CC1 1163029546 AGZPMEBGWOEXQZ-UHFFFAOYSA-N 315.377 -0.571 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)COCCCOC 1170529722 JOBYLYFXVQIUFQ-ZDUSSCGKSA-N 313.398 -0.727 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)CCn2cccn2)[C@H]1C 1178131698 YCODMQPJUGRWAV-KBPBESRZSA-N 317.393 -0.398 30 20 DBED C[C@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)C[C@H]1CCCO1 1178174406 GORSZCGGYJGVSJ-XQQFMLRXSA-N 308.382 -0.226 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](NCC(=O)NC(N)=O)[C@@H]1C 1179561909 XADIRTGHEUKAOE-USZNOCQGSA-N 324.381 -0.649 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2cnccn2)C1 1180736070 KZYCHIKKBVXVPE-VXGBXAGGSA-N 303.366 -0.029 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2ccc(O)nn2)C1 1180788136 PBIQBXOQCQTRSZ-GHMZBOCLSA-N 319.365 -0.323 30 20 DBED N#CCNC(=O)CN[C@@H]1CCN(C(=O)c2cncc(F)c2)C1 1181943712 ATWIWRULUFGUIL-GFCCVEGCSA-N 305.313 -0.335 30 20 DBED C=C(C)CCN[C@@H]1CCN(C(=O)CNC(=O)CNC(C)=O)C1 1183721964 NEOOBSKUXXECQA-CYBMUJFWSA-N 310.398 -0.605 30 20 DBED C#CCN1C[C@@H]2CCN(C(=O)CCCn3c(O)nnc3O)[C@@H]2C1 1188413684 STMCJIZXQVCDBE-NWDGAFQWSA-N 319.365 -0.365 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](N(C)Cc2ccon2)C1 1189759875 DFRIQNVJZBTMIS-CYBMUJFWSA-N 304.350 -0.153 30 20 DBED C#CCCN(C)[C@H]1CCN(C(=O)[C@H](CCC)S(N)(=O)=O)C1 1191552332 VLVIDDTVUICPAA-STQMWFEESA-N 315.439 0.000 30 20 DBED CO[C@H](C(=O)N1CC[C@@H](N(C)CC(=O)NCC#N)C1)C(C)C 1192162814 RRKZWFUIDSQLHQ-OCCSQVGLSA-N 310.398 -0.170 30 20 DBED COCC#CCN(C)[C@H]1CCN(C(=O)CCc2cnn[nH]2)C1 1192406593 KSFVGHJUQINIAN-AWEZNQCLSA-N 305.382 -0.080 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)c2coc(C)c2)C1 1192453796 RTPWRBPDNMHJMV-MRVWCRGKSA-N 319.361 -0.499 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)CO[C@@H]2CCOC2)CC1 1195807371 UKGRLIFCHONVER-CQSZACIVSA-N 323.393 -0.924 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)CCNC(=O)C2CCC2)C1 1196868376 WKQQQSPLMMEIAN-ZIAGYGMSSA-N 307.394 -0.523 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@H](NC(N)=O)C(C)(C)C)C1 1197811920 BVILBQZJJCRROI-UTUOFQBUSA-N 310.398 -0.746 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)c2cnccn2)CC1 1199130054 HKMGRAFQYAOXRZ-UHFFFAOYSA-N 301.350 -0.580 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 1200140397 VBEVMWAUZLFMBM-UHFFFAOYSA-N 313.361 -0.170 30 20 DBED C=CCNC(=O)[C@@H](C)NC1CCN(C(=O)c2nnn(C)n2)CC1 1202040366 KDDQHHDBGUJSIB-SNVBAGLBSA-N 321.385 -0.905 30 20 DBED C=CCNC[C@H]1CN(C(=O)CS(=O)(=O)CC)CCCO1 1202154698 QQKFWXSQGQEJJL-LBPRGKRZSA-N 304.412 -0.186 30 20 DBED N#CCNC(=O)CNCC1CCN(C(=O)COCC2CC2)CC1 1204608079 JWIOOHBWTSRGAC-UHFFFAOYSA-N 322.409 -0.119 30 20 DBED CC#CCNCC1CCN(C(=O)Cn2ncn(C)c2=O)CC1 1205568792 XHQLHEYIIZEFLB-UHFFFAOYSA-N 305.382 -0.567 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@H](NCc2ccnn2C)C1 1207870325 WHVMXLHIHAVTTG-ZDUSSCGKSA-N 317.393 -0.360 30 20 DBED C#CCOCCC(=O)N1CCC[C@H](N[C@@H](C)c2nnnn2C)C1 1208025778 RLLNKKHYRJOFHK-STQMWFEESA-N 320.397 -0.108 30 20 DBED CO[C@@H]1CN(CCNC(=O)C2CC2)C[C@H]1NC(=O)C#CC(C)C 1212240991 HHTXUTWRXQTBIW-HUUCEWRRSA-N 321.421 -0.013 30 20 DBED C=CCOCCN1C[C@@H](NC(=O)Cc2ccn(C)n2)[C@H](OC)C1 1212244075 CTEDPFAXAQWMJL-HUUCEWRRSA-N 322.409 -0.019 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)c2n[nH]c(C)c2C)C[C@H]1C 1214366607 IJKWFNCBCJIPLG-ZWNOBZJWSA-N 317.393 -0.174 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)c2ccn(C)n2)C[C@H]1C 1216752768 XVEUUKCJCREHCV-DGCLKSJQSA-N 303.366 -0.780 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CCNC(=O)NC 1217815195 SLHDVEVKPUWPSX-QWHCGFSZSA-N 308.382 -0.760 30 20 DBED CC[C@H](C)NC(=O)CN1C[C@H](O)[C@H](NC(=O)C#CC(C)C)C1 1219581139 HXMQWSFLCWUCKU-MJBXVCDLSA-N 309.410 -0.278 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)c2cc(C)nc(C)n2)C1 1220537691 DSRBVOBNBCSZRS-CABCVRRESA-N 318.377 -0.482 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)CS(=O)(=O)CCC)C1 1220996235 MWSJORAEPFBKGU-NEPJUHHUSA-N 304.412 -0.451 30 20 DBED CC(C)C#CC(=O)N1C[C@H]2CCN([C@H]3CCC(=O)NC3=O)C[C@H]21 1221533830 TXDNCDWMECTGMU-HZSPNIEDSA-N 317.389 -0.016 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@@H]2CN(C(=O)c3cnn[nH]3)[C@@H]2C1 1221667261 JMPMCXMRJJESJC-DMDPSCGWSA-N 316.365 -0.911 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCC(CNC(=O)c2cnn[nH]2)CC1 1223720284 URVDRQJFCVXDTQ-LLVKDONJSA-N 320.397 -0.063 30 20 DBED C=CCNC(=O)[C@H](C)N1CCC(NC(=O)c2cnn(C)n2)CC1 1229609461 DAXVOEGWNYZZIS-NSHDSACASA-N 320.397 -0.300 30 20 DBED CN(C[C@H]1CCN1Cc1nnnn1C)C(=O)CSCC#N 1230814975 JJAJKOSJSLBOKV-SNVBAGLBSA-N 309.399 -0.500 30 20 DBED C#CCCCC(=O)N(C)C[C@H]1CCN1CCN1C(=O)CNC1=O 1233947410 LRUXNXJSRNIVIG-CYBMUJFWSA-N 320.393 -0.126 30 20 DBED CN(C[C@H]1CCN1CC(=O)NCC#N)C(=O)Cc1ccnn1C 1233965794 FKYMAEMIRWJTNV-CYBMUJFWSA-N 318.381 -0.865 30 20 DBED C=C(C)COCCNC(=O)C(=O)N1CCOC[C@H]1C[C@H](C)O 1256792103 NLLWZGKHONIBEO-QWHCGFSZSA-N 314.382 -0.306 30 20 DBED C=CCNC(=O)[C@H](C)n1cc(CN2CCS(=O)CC2)nn1 1262025859 WZGPADVBAKUICK-NSHDSACASA-N 311.411 -0.294 30 20 DBED C#CCNCC(=O)NCCCN1CCN(c2ncccn2)CC1 1263103082 NMSTWJDHLQZGFD-UHFFFAOYSA-N 316.409 -0.672 30 20 DBED C[C@H](CN1CCOCC1)NC(=O)C(=O)Nc1cnn(CC#N)c1 1319554401 SZPGUHUSDPRGSF-LLVKDONJSA-N 320.353 -0.818 30 20 DBED CNCCCc1n[nH]c(NC(=O)C(=O)c2cnn(C)c2)c1C#N 1320269673 XDRVWPZNMDSOOZ-UHFFFAOYSA-N 315.337 -0.012 30 20 DBED C=C[C@@H](COC)NC(=O)N1CCC[C@@H](S(=O)(=O)NC)C1 1320299993 AAWLGMFOZYDBTR-WDEREUQCSA-N 305.400 -0.089 30 20 DBED CN(CCN1CCCCC1)C(=O)C(=O)N1CCO[C@H](C#N)C1 1327341989 TXDXHYIBSCRJQT-CYBMUJFWSA-N 308.382 -0.318 30 20 DBED C=CCOCCNC(=O)C(=O)N1CCN(c2cnccn2)CC1 1328696131 OPCIFHTYFJSIIJ-UHFFFAOYSA-N 319.365 -0.556 30 20 DBED C#Cc1ccc(NC(=O)C(=O)N2CC[C@H](O)[C@@H](CO)C2)cc1 1337366841 XKNNRWFDKIETBG-OCCSQVGLSA-N 302.330 -0.192 30 20 DBED C=CCn1c(C[C@H](O)CC#N)nnc1N1CC(=O)N(C)C[C@H]1C 1338944358 JPADHBPGQFLBST-VXGBXAGGSA-N 318.381 -0.052 30 20 DBED CCC[C@H](C#N)NC(=O)C1CCN(S(=O)(=O)NC)CC1 1345390697 NCZIMIQIIQLROX-LLVKDONJSA-N 302.400 -0.029 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)c2coc(C)n2)CC1 1348998397 QGMGGJAPKAHNMZ-UHFFFAOYSA-N 312.351 -0.792 30 20 DBED C#CCSCCn1nnnc1N(C)CCS(C)(=O)=O 1352339202 GGHHVPDEHWBPOH-UHFFFAOYSA-N 303.413 -0.480 30 20 DBED C[C@H](NC(N)=O)C(=O)N1CCC2(C1)CN(C(=O)[C@H](C)C#N)C2 1384561366 MIWISACVRWFWDR-ZJUUUORDSA-N 307.354 -0.736 30 20 DBED CO[C@H](C)CC(=O)N1CCN(CCNC(=O)[C@@H](C)C#N)CC1 1385571420 MLWLFTCUZQHQDQ-QWHCGFSZSA-N 310.398 -0.169 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)CCc2nccn2C)C1 1396434294 NZJFIWDMWLPEJP-UTUOFQBUSA-N 319.365 -0.800 30 20 DBED C[C@H](CN(C)C(=O)[C@H]1CCC(=O)N1)NC(=O)c1ccc(C#N)[nH]1 1405011955 WHDGTTHLMVSREA-BXKDBHETSA-N 317.349 -0.258 30 20 DBED N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)CCn1ccnn1 1414007188 RKCFFMVGFIZLCT-UHFFFAOYSA-N 316.325 -0.262 30 20 DBED CN(CCNC(=O)CCCC(N)=O)C(=O)c1ccc(C#N)[nH]1 1415539457 UNGXTAPBWAENBG-UHFFFAOYSA-N 305.338 -0.270 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(O)(CNCC(=O)NC2CC2)CC1 1424551285 ULJDIKNMTNNDQP-NSHDSACASA-N 308.382 -0.632 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](C)CN(C)C(=O)CN(C)C(=O)C1CC1 1425108520 ZWGHIFHWKAJHCY-WDEREUQCSA-N 308.382 -0.022 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CCN(C(=O)CCn2ccnn2)C1 1428870311 ULCTYSAOFZSAKB-NEPJUHHUSA-N 304.354 -0.207 30 20 DBED COc1ccnc(C(=O)N(C)C[C@@H](O)CNC(=O)[C@@H](C)C#N)c1 1444708348 SZDXZZNGALYLCC-QWRGUYRKSA-N 320.349 -0.201 30 20 DBED CC(=O)N[C@H](C)C(=O)NCC1CN(C(=O)c2cc(C#N)c[nH]2)C1 1456440607 AGYUUHLBBAVYBM-SECBINFHSA-N 317.349 -0.401 30 20 DBED CNC(=O)NC(=O)CNC1(CNC(=O)[C@@H](C)C#N)CCCC1 1482213387 MHZZJAZHSFZVOP-JTQLQIEISA-N 309.370 -0.380 30 20 DBED C[C@H](C#N)C(=O)NCCN(C)[C@H](C)C(=O)NCc1cnn[nH]1 1575179089 SLZUPKBOVJAKSY-NXEZZACHSA-N 307.358 -0.983 30 20 DBED C#CC[C@@H](NC(=O)CN1C(=O)NC(CC)(CC)C1=O)C(=O)O 1588406208 ZMGUSXOVMQMAKV-SECBINFHSA-N 309.322 -0.310 30 20 DBED C#Cc1ccc(Cn2nnnc2N2CCO[C@@H](C(=O)O)C2)cc1 1588438782 BHBMWQNLVZLYEI-CYBMUJFWSA-N 313.317 -0.008 30 20 DBED C=CCC[C@H](CO)NC(=O)C1(C(=O)O)CCS(=O)(=O)CC1 1588457233 QXVSPPFXUKXKAB-SNVBAGLBSA-N 319.379 -0.291 30 20 DBED O=C1N=C(NN=Cc2c(F)cc(-c3nn[nH]n3)cc2F)NC1=O 1593401887 SDQUXSWZHQWGKA-UHFFFAOYSA-N 320.219 -0.919 30 20 DBED N#CCN1CCN(C(=O)c2cccn(CC(=O)O)c2=O)CC1 1594609575 DRAODMVNOFFINX-UHFFFAOYSA-N 304.306 -0.786 30 20 DBED COC(=O)[C@H]1CC[C@H](C(=O)O)CN1C(=O)Cn1cnc(C#N)n1 1598764975 GNQCWOQGBRRISI-DTWKUNHWSA-N 321.293 -0.985 30 20 DBED N#CCN(CCC(=O)O)S(=O)(=O)C1CCS(=O)(=O)CC1 1601072964 VAXWSQXBXFBNSV-UHFFFAOYSA-N 324.380 -0.806 30 20 DBED N#Cc1cccc([C@@H](OC(=O)CN2CC(=O)NC2=O)C(=O)O)c1 1601117857 OXCJPCMKHHXWLC-GFCCVEGCSA-N 317.257 -0.221 30 20 DBED C#CCN(CC(=O)O)C(=O)C(=O)Nc1cnn(C(F)F)c1 1602678851 HTRNESXURXVMRP-UHFFFAOYSA-N 300.221 -0.237 30 20 DBED C[C@@H](CNc1nccnc1-c1nn[nH]n1)NC(=O)[C@@H](C)C#N 1602984192 UARJWOWTZADPSF-YUMQZZPRSA-N 301.314 -0.267 30 20 DBED C#CCNC(=O)CN(CCNC(=O)C1CC(OC)C1)C1CC1 1753155179 DKIPGAGOYOYUSA-UHFFFAOYSA-N 307.394 -0.259 30 20 DBED C=CCNC(=O)CN[C@@H](C)C1CCN(C(=O)c2cnn[nH]2)CC1 1753274938 SSNMKNDEPAEGAH-NSHDSACASA-N 320.397 -0.063 30 20 DBED CC(C)[C@H](CNC(=O)CSCC#N)NCC(=O)NC(N)=O 1753824700 OEHSCZXPAZIIHK-VIFPVBQESA-N 315.399 -0.832 30 20 DBED C#CCCNC[C@H]1CCC[C@@H]1NC(=O)Cn1ccc(O)nc1=O 1753887198 BKMADEQKQTVLQD-OLZOCXBDSA-N 318.377 -0.153 30 20 DBED C#CCNC(=O)CN1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1cc(C)on1 1754419634 UAURYCDZUSAOGL-SCDSUCTJSA-N 302.334 -0.465 30 20 DBED COCC#CCN1CC(N(C)C(=O)C(=O)NCC(F)F)C1 1754577412 UUPHDPHKZMGSTN-UHFFFAOYSA-N 303.309 -0.840 30 20 DBED C=CCN1CCC(C)(CNC(=O)c2cn(CC(N)=O)nn2)CC1 1754721762 ADGJVMUEOJVZOU-UHFFFAOYSA-N 320.397 -0.219 30 20 DBED C#CCNC(=O)CN[C@@H](C)[C@H](C)NC(=O)Cn1ccnc1C 1755271098 VJHRGVBXVJHHQK-RYUDHWBXSA-N 305.382 -0.576 30 20 DBED N#CCN[C@H](CO)CNC(=O)Cn1c(O)nc2ccccc21 1755641310 YZMKJYLAUZXNLL-JTQLQIEISA-N 303.322 -0.668 30 20 DBED C#CCNC(=O)CN1CC[C@]2(NC(=O)c3cc[nH]n3)CCC[C@@H]12 1755696213 XHTFDMMHUIIFNV-CZUORRHYSA-N 315.377 -0.114 30 20 DBED Cn1ncc(C(=O)NC2CC(CNC(=O)CSCC#N)C2)n1 1755939250 SLRLPUMUIFIUGD-UHFFFAOYSA-N 322.394 -0.304 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](CO)NC(=O)C#CC1CC1 1756525383 UOCPIRWWYRJGCO-DZKIICNBSA-N 320.389 -0.026 30 20 DBED C#Cc1ccc(C(=O)NC[C@H](O)CN(C)C(=O)COC)cc1 1756649641 ADZGPOLDMCVUJP-AWEZNQCLSA-N 304.346 -0.137 30 20 DBED CN(C[C@@H](O)CNC(=O)C#CC1CC1)C(=O)Cc1cc[nH]n1 1756657370 FTUKOQGGHZJMMB-ZDUSSCGKSA-N 304.350 -0.699 30 20 DBED C=CCOCCCC(=O)N1C[C@H](O)[C@H](NC(=O)[C@H](C)C#N)C1 1757206796 YMTRQOAZJZNOHC-UPJWGTAASA-N 309.366 -0.183 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1C[C@@H](NC(=O)CN2C(=O)CCC2=O)C1 1757329839 XFGJQFVDCZGZEI-MXWKQRLJSA-N 320.349 -0.694 30 20 DBED C=C(C)CCC(=O)N1CC[C@@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 1757559299 KYOVLAASCLREAU-NEPJUHHUSA-N 322.369 -0.893 30 20 DBED N#CCCN(CCN1CCOCC1)C[C@H]1CCS(=O)(=O)C1 1771679662 WQRANLBNRBGSOT-CQSZACIVSA-N 315.439 -0.031 30 20 DBED C[C@H](Oc1cccc(C=NNCCS(N)(=O)=O)c1)C(=O)O 1776047033 RYRFYPOXPYDYPU-VIFPVBQESA-N 315.351 -0.250 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C(O)O)c1 1792899009 BCDLSSXKFTUUGS-JGPRNRPPSA-N 318.333 -0.551 30 20 DBED N#CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncc[nH]1 1794500868 XMGYAJMWKBFLLX-PEGIJTEDSA-N 303.322 -0.473 30 20 DBED Cn1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CC#N)C3)cn1 1794748437 LDLWXXPPDUAODT-DABQJJPHSA-N 317.349 -0.463 30 20 DBED C=CC[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](N)CN 1796342893 UKQWVCIWBQBTHC-PEBLQZBPSA-N 324.425 -0.926 30 20 DBED COCC(=O)N1CCCC2(CCN(C(=O)C#CC(=O)O)CC2)C1 1809193594 ASJOXOOLUKPJEN-UHFFFAOYSA-N 322.361 -0.048 30 20 DBED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)COC(C)C)CCO2 1830023327 NULTWKXTEVFNHU-MRXNPFEDSA-N 324.377 -0.499 30 20 DBED C=C1CC(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CNC(N)=O)C1 1847226252 IIKAPCSFMLIGBT-RYUDHWBXSA-N 306.366 -0.177 30 20 DBED C[C@H]1CCCC[C@]12NC(=O)N(C/C(O)=N/C1=NCC(=O)N1)C2=O 50222893 OSAJXGFXVDOIME-RTHLEPHNSA-N 321.337 -0.071 30 20 DBED C=CCNC(=O)CN1CCN(S(=O)(=O)N(CC)CC)CC1 54640878 HSZCDROLIJKEAC-UHFFFAOYSA-N 318.443 -0.507 30 20 DBED C=C(Br)CNC(=O)Cn1ccc(=O)n(C)c1=O 68952349 BDXZUZOIZTXMDW-UHFFFAOYSA-N 302.128 -0.428 30 20 DBED COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(C#N)nc2)CCO1 169099182 OCDBFZWCZNCHEI-NSHDSACASA-N 311.319 -0.484 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)c2cc(C)n[nH]2)CC1 264963268 FQLUAKXZDSCBMZ-UHFFFAOYSA-N 303.366 -0.385 30 20 DBED CCOC(=O)C(=O)N1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 267254921 ZVOHGJIAEYFTHZ-UHFFFAOYSA-N 304.306 -0.266 30 20 DBED CC(C)NC(=O)N1CCC[C@H]1C(=O)NCCn1cnc(C#N)n1 286868186 NGEREANPQQCSLT-NSHDSACASA-N 319.369 -0.152 30 20 DBED C#CCN(C)CCCNC(=O)N1CCO[C@H](CC(=O)OC)C1 297609387 WQPBIFSAMHQTBY-CYBMUJFWSA-N 311.382 -0.085 30 20 DBED C=CCN(C(=O)CN(C)C(=O)OC)[C@@H]1CCS(=O)(=O)C1 299136923 GDZQOYBTXTTZPP-SNVBAGLBSA-N 304.368 -0.114 30 20 DBED C[C@H]1[C@@H](/N=C(/O)CN2CCN(C)C(=O)C2)CCS1(=O)=O 329241306 NNDUYMJMKYPWLY-UWVGGRQHSA-N 303.384 -0.708 30 20 DBED CN1CC[C@H](/N=C(/O)N2CC[C@H](N/C(O)=N/C3CC3)C2)C1=O 329447617 CWRKCDWNPWTTQD-QWRGUYRKSA-N 309.370 -0.129 30 20 DBED O=C(C/N=C(/O)N1CCO[C@@]2(CCOC2)C1)N1CCOCC1 329889936 FJBKRIPQVOXFKP-AWEZNQCLSA-N 313.354 -0.750 30 20 DBED COCCN(CCC#N)S(=O)(=O)NC1CCN(C)CC1 330383627 YMHXFTXBKKYTNE-UHFFFAOYSA-N 304.416 -0.223 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)NC[C@H](C)CN1CCOCC1 330384427 KMCUZBCXSBQDER-STQMWFEESA-N 318.443 -0.119 30 20 DBED CC/N=C(/O)N1CCN(C(=O)CCCS(C)(=O)=O)CC1 330672178 CYKWREFVIQPVJF-UHFFFAOYSA-N 305.400 -0.111 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N1CCS(=O)(=O)CC[C@@H]1C 332062806 ZFVLXVLEYXXNGT-MNOVXSKESA-N 323.440 -0.168 30 20 DBED CC(C)(C(N)=O)N1CCN(C(=O)C(=O)NCCCCC#N)CC1 343144163 SILMEZDRZGTCNZ-UHFFFAOYSA-N 323.397 -0.795 30 20 DBED CN1CCN(CCCNC(=O)CNc2ccc(C#N)cn2)CC1 345577017 YZGFBZPCBSCEME-UHFFFAOYSA-N 316.409 0.119 30 20 DBED N#Cc1cncc(S(=O)(=O)NCCN2C(=O)CCCC2=O)c1 352258330 VPIYXKXKZZIWNC-UHFFFAOYSA-N 322.346 -0.229 30 20 DBED COC(=O)c1cc(S(=O)(=O)NCC(=O)NCC#N)c(C)o1 352513121 VBRRNQAPCXPKKA-UHFFFAOYSA-N 315.307 -0.707 30 20 DBED COC(=O)[C@@H]1CC12CCN(C(=O)NCC(=O)NCC#N)CC2 358297789 RHGOFIUGBBSRFM-JTQLQIEISA-N 308.338 -0.389 30 20 DBED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N[C@H]2CCOC2)n1 359353544 VQZYTDKSDZWMOA-JTQLQIEISA-N 305.338 0.353 30 20 DBED COc1ccnc(N2CCN(S(=O)(=O)[C@@H](C)C#N)CC2)n1 416373038 PZARUFBVIGMCMZ-JTQLQIEISA-N 311.367 -0.151 30 20 DBED CCN(CC)S(=O)(=O)CCNC(=O)[C@H](N)CCCC#N 424140357 OCDFXPCKGMEIOK-LLVKDONJSA-N 304.416 -0.205 30 20 DBED C=CCC[C@@H](CO)NC(=O)N[C@@H](CC)CNS(C)(=O)=O 458953975 JYXDVJVCKWTLFJ-QWRGUYRKSA-N 307.416 -0.060 30 20 DBED C[C@@H]1CN(C(=O)C(=O)Nc2cccc(C#N)n2)C[C@@H](CO)O1 564948072 QXCDMPYDEYXJGO-KOLCDFICSA-N 304.306 -0.500 30 20 DBED C[C@H]1CN(C(=O)NCC(=O)NCC#N)C[C@@H](C(F)(F)F)O1 588746498 JFSFRQLDYIVGRK-YUMQZZPRSA-N 308.260 -0.013 30 20 DBED CCN1CC[C@H](NCCS(=O)(=O)c2ccc(C#N)cn2)C1=O 591765789 HWFPGGJQIIXYQZ-LBPRGKRZSA-N 322.390 -0.063 30 20 DBED COC(=O)[C@@H](CO)NC[C@@H](O)COc1ccc(CC#N)cc1 592429144 ALYQXEYIYTZGEY-TZMCWYRMSA-N 308.334 -0.384 30 20 DBED COC(=O)[C@@](C)(CO)NCC(=O)NCc1cccc(C#N)c1 595526226 HRCOJQKKNTYYEV-OAHLLOKOSA-N 305.334 -0.312 30 20 DBED N#Cc1ccc(N2CCC[C@@H](N=c3[nH]c(=N)[nH]c(=N)[nH]3)C2=O)cc1 599064692 FYVCJQGTGFMDNX-LLVKDONJSA-N 324.348 -0.402 30 20 DBED COC(=O)[C@@]1(C)CN(c2c(C#N)c(=O)n(C)c(=O)n2C)C[C@@H]1C 601213015 WJUYRUALTUOWRB-VFZGTOFNSA-N 320.349 -0.409 30 20 DBED CC(C)(C)CN(CCO)S(=O)(=O)N1CCO[C@H](C#N)C1 619710468 XJFHEVULTRJSRS-LLVKDONJSA-N 305.400 -0.204 30 20 DBED C=C[C@H](O)C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 646686851 AHRATHLHLGMSLY-ZDUSSCGKSA-N 317.345 -0.578 30 20 DBED NC(=O)CNC(=S)NN=C1CCN(c2ccccn2)CC1 731929739 KPCIIYFQOLIBFN-UHFFFAOYSA-N 306.395 -0.013 30 20 DBED N#CCN(CC(=O)O)C(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 739076039 RHTLIPMKHPDZMV-ZETCQYMHSA-N 307.228 -0.166 30 20 DBED CN(CC(=O)N1CCOCC1)C(=O)NCc1ccc(C#N)cn1 780652656 PSSIYCUDHOIECO-UHFFFAOYSA-N 317.349 -0.047 30 20 DBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NN1CCCC1=O 780698839 APFYXPSNGGXGFH-UHFFFAOYSA-N 322.346 -0.621 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)C1(OC)CCOCC1 792717102 BEPKYELBYCYLAO-UHFFFAOYSA-N 300.311 -0.263 30 20 DBED N#CCNC(=O)CNC(=O)NC[C@H](O)COc1cccc(F)c1 806227406 LUOHTHPTSOVBIN-NSHDSACASA-N 324.312 -0.496 30 20 DBED C#C[C@@H](NC(=O)NCCS(=O)(=O)N(C)C)[C@H]1CCCO1 811905944 NXLHUEGKIMGEQD-GHMZBOCLSA-N 303.384 -0.642 30 20 DBED C#CCC[C@@H](O)CNC(=O)CSc1nnc(CCC)n1N 813559696 FSQALROAENGXOH-SNVBAGLBSA-N 311.411 -0.073 30 20 DBED C=C[C@@H](O)C(=O)OCC(=O)NCCCN1CCCCCC1=O 814549513 LDIOUGCDERSYNU-GFCCVEGCSA-N 312.366 -0.015 30 20 DBED C#CC[C@H](CO)NC(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 816668935 CBJFUWXYKCFINF-APLVYKGISA-N 302.330 -0.706 30 20 DBED C#CCCN1CCN(C(=O)C2(n3cnnn3)CCOCC2)CC1 825077676 DZPYGSJBVMHAAU-UHFFFAOYSA-N 318.381 -0.654 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)C(C)(C)NC(=O)O 825687441 JYUKNZKPDCTMED-ZETCQYMHSA-N 301.299 -0.024 30 20 DBED N#CCCNC(=O)COC(=O)Cn1nnnc1-c1ccsc1 829630989 ILHRXHWNZPHVCM-UHFFFAOYSA-N 320.334 -0.025 30 20 DBED CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2CC(=O)N2)[C@@H](C#N)C1 829693718 CAKRYKRADBVPPN-VHSXEESVSA-N 308.338 -0.154 30 20 DBED C=CCCONC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C 856029810 FAASGWMQIVLZOS-UHFFFAOYSA-N 304.306 -0.130 30 20 DBED C#CC[C@H](CO)NS(=O)(=O)c1ccc2c(c1)C(=O)NCC2 882342738 JHOFZXIUHQXVAI-LLVKDONJSA-N 308.359 -0.365 30 20 DBED C#CCNS(=O)(=O)c1cccc(C(=O)N2CC(O)(C#C)C2)c1 890520054 GAKLDLVHSMAVHB-UHFFFAOYSA-N 318.354 -0.582 30 20 DBED C#CC1(O)CN(S(=O)(=O)C2CN(C(=O)C3CCCC3)C2)C1 908227704 GXXMIKPXLXNBDW-UHFFFAOYSA-N 312.391 -0.603 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCC(=O)NCCN1CCCCC1 909314473 AIYGRTNUCJMHQB-HNNXBMFYSA-N 320.437 -0.198 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)c2cncnc2O)C1 944640799 LJAYRBYFGHRSPO-ZJUUUORDSA-N 319.321 -0.701 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)[C@@H]1COCCN1C)CCO2 949078733 QDXDOHPYSUCPLC-HNNXBMFYSA-N 321.421 -0.356 30 20 DBED N#Cc1ccc(C(=O)NCC2CCN(C(=O)C(N)=O)CC2)[nH]1 949374799 VRJRJNLRBDXGJF-UHFFFAOYSA-N 303.322 -0.660 30 20 DBED C#CCN1CC(N(CC)C(=O)[C@H]2CC(=O)N(CCOC)C2)C1 950457318 BSEDVAGVZJRLKZ-ZDUSSCGKSA-N 307.394 -0.353 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@H]1CNC(=O)[C@@H]1CN(C)C(=O)N1 951468955 XBAQBMYSGRDAPC-QWRGUYRKSA-N 308.382 -0.061 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](NC(=O)c2cnnc(O)c2)[C@H](C)C1 958376332 LKKRINODVFPZCL-IQJOONFLSA-N 303.322 -0.081 30 20 DBED C#CCOc1ncccc1C(=O)NC[C@@H]1CN(CCO)C[C@@H]1O 958593622 ATJWBUFCMCQJDD-OCCSQVGLSA-N 319.361 -0.892 30 20 DBED Cc1nn2cccnc2c1C(=O)NC[C@@H]1CN(CC#N)C[C@@H]1O 958693879 HZOYDRIWRNFOAR-NEPJUHHUSA-N 314.349 -0.416 30 20 DBED Cc1[nH]nc(C(=O)N(C)[C@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)c1C 958757789 MLBJARNSTHFTCY-UWJYBYFXSA-N 319.365 -0.170 30 20 DBED Cc1cc2[nH]c(=O)c(C(=O)N[C@H]3[C@@H]4CN(CC#N)C[C@@H]43)cn2n1 962066836 NBDLHVJSJBBKNP-IWIIMEHWSA-N 312.333 -0.485 30 20 DBED Cc1n[nH]c(C)c1CC(=O)N[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1O 962997926 NQHGKNATFKVMTQ-WQHBLYJGSA-N 319.365 -0.583 30 20 DBED Cc1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)nc(C)n1 968876330 NZXGFNLXXFJXRU-CKLFPEKLSA-N 317.349 -0.445 30 20 DBED Cn1cnc(C(=O)N[C@H]2C[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)n1 974049522 RDVIHLYZHGBSLZ-AOOOYVTPSA-N 313.321 -0.294 30 20 DBED CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N[C@H]2CN(CC#N)CC2(C)C)O1 975028985 HGIMHSFLGDOBKI-AGIUHOORSA-N 322.409 -0.028 30 20 DBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H]2[C@H](NC(=O)C(N)=O)[C@H]2C1 977094855 KMTUHUXWNXVVCO-YYHQMBLXSA-N 321.377 -0.584 30 20 DBED C[C@@H]1[C@@H](NCC#N)CCN1C(=O)c1cc(=O)n2[nH]cnc2n1 987357201 YQDSTZZTELQLCM-BDAKNGLRSA-N 301.310 -0.866 30 20 DBED CCN1CCOC[C@H]1C(=O)NC1CN(C(=O)C#CC2CC2)C1 994993890 FXJQRYGIABNZJY-AWEZNQCLSA-N 305.378 -0.553 30 20 DBED Cn1[nH]c(CNC2CCN(C(=O)C#CC3CC3)CC2)nc1=O 996383991 SBIYRJVWITXEQP-UHFFFAOYSA-N 303.366 -0.398 30 20 DBED C=CCn1cc(C(=O)N2C[C@@H](N[C@@H](C)C(N)=O)C(C)(C)C2)nn1 996388947 LOLPSZOJNYVKIJ-CMPLNLGQSA-N 320.397 -0.222 30 20 DBED N#CCNC1CCN(C(=O)C2(n3cnnn3)CCOCC2)CC1 997081202 AMFJAYINSLVZNN-UHFFFAOYSA-N 319.369 -0.717 30 20 DBED C#CCN[C@@H]1CCCN(C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1 1000175110 FKXCNJRVHOCFIQ-HZSPNIEDSA-N 307.394 -0.164 30 20 DBED CN1C(=O)CCC[C@@H]1C(=O)NCC1CN(C(=O)C#CC2CC2)C1 1003658759 CLKCVFZPOMBXLM-CQSZACIVSA-N 317.389 -0.015 30 20 DBED C#Cc1cncc(C(=O)NCC2CN(C(=O)Cn3nccn3)C2)c1 1004198901 KTKSFZOSLHPPSP-UHFFFAOYSA-N 324.344 -0.457 30 20 DBED CC#CCN1CCC(N(C)C(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 1006069952 JHUJDGCGCHONEE-LBPRGKRZSA-N 306.366 -0.469 30 20 DBED C[C@@H](NC(=O)[C@H]1CCNC1=O)C1CN(C(=O)C#CC2CC2)C1 1006562001 HPLZURCSOWJCLW-MFKMUULPSA-N 303.362 -0.501 30 20 DBED COCCn1nc(C(=O)N[C@H]2CCN(CC#N)C2)ccc1=O 1015177734 OFSVXERJLLLACJ-NSHDSACASA-N 305.338 -0.783 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H]2CC[C@H](NC(=O)C(N)=O)C2)c1 1015556258 XSKQCWDRXBGIDU-WPRPVWTQSA-N 303.322 -0.614 30 20 DBED C=CCN1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CCC(=O)NC1=O 1018149525 JEXBLYHAGGCHSE-TXEJJXNPSA-N 306.366 -0.211 30 20 DBED C=C(C)CN1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCS(=O)(=O)N1 1018281736 DXUPEZAHULDVKT-XQQFMLRXSA-N 313.423 -0.071 30 20 DBED N#Cc1ccc(CN[C@H]2CCN(C(=O)Cn3cnnn3)C2)cc1 1018480670 WTMVLARJIARJLV-AWEZNQCLSA-N 311.349 -0.065 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCN(C(=O)C[C@H]3CCC(=O)N3)C2)C1 1019363488 VMLGQBQUFOLENU-VXGBXAGGSA-N 318.377 -0.124 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnn(CCF)c2)C1 1024462541 OLFUKIOFPDDPMV-MVWJERBFSA-N 323.328 -0.686 30 20 DBED C=CCN1CC[C@H](N(C)C[C@H]2CCN(C(=O)CC(N)=O)C2)C1=O 1029682688 YIVLVNXMNJGMPM-OLZOCXBDSA-N 322.409 -0.571 30 20 DBED CC#CCN1CC(CNC(=O)[C@H]2CCc3nnc(O)n3C2)C1 1031781246 LBVKXBUVROEHEI-LBPRGKRZSA-N 303.366 -0.383 30 20 DBED CCN(C(=O)[C@H]1CN(C(C)=O)CCO1)[C@H]1CCN(CC#N)C1 1034027959 AKOYPSNLGLVMQI-UONOGXRCSA-N 308.382 -0.320 30 20 DBED C=C(Br)CN1CC[C@H]1CNC(=O)[C@@H]1CNC(=O)N1 1038649575 ICHYKYFWHMXJPK-IUCAKERBSA-N 317.187 -0.233 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2CCN2Cc2nnnn2C)nc1 1038943855 YFRMOYFXYDUULO-GFCCVEGCSA-N 311.349 -0.409 30 20 DBED C#CCN1CC[C@H](C2CCN(C(=O)Cn3ncnn3)CC2)C1 1039129669 CFVAFDJKPYWETJ-AWEZNQCLSA-N 302.382 -0.133 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)c2ccncn2)C1 1040657411 ZOENOCFBVKWZMK-YGRLFVJLSA-N 303.322 -0.671 30 20 DBED C=CCC1(C(=O)N2CC[C@](O)(CNC(=O)C(N)=O)C2)CCC1 1040743934 QXUQCRKDRMOKRW-HNNXBMFYSA-N 309.366 -0.702 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)CCC(=O)NCC)C1 1042014040 RRRLIKDDQJREEF-UHFFFAOYSA-N 311.382 -0.442 30 20 DBED C=C[C@H](CC)CC(=O)N1CC(O)(CNC(=O)c2ncn(C)n2)C1 1042898742 YQVQISRFOLKXTO-LLVKDONJSA-N 321.381 -0.280 30 20 DBED Cn1cccc1C(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042958170 GGMAXAUQNBVMOO-UHFFFAOYSA-N 301.346 -0.258 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)[C@@H]2CCO[C@H]2C2CC2)C1 1044606136 FDJASENSFQWQDE-RTXFEEFZSA-N 321.377 -0.349 30 20 DBED C=CCCCC(=O)NCC1(O)CN(C(=O)CN(C)C(C)=O)C1 1045451647 ZRZCXDSCDPZTIJ-UHFFFAOYSA-N 311.382 -0.490 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)CCc2ccccn2)C1 1045564135 CISAOMLLTUOLDM-GFCCVEGCSA-N 316.361 -0.137 30 20 DBED C#CCN1CC[C@@H](N2CCN(C(=O)c3cc[n+]([O-])cc3)CC2)C1 1046000031 NKFWXCIXVSWMBN-MRXNPFEDSA-N 314.389 -0.215 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)[C@H]2OCC[C@H]2C)C1 1046788675 VDDHGDLDJFEGRX-OCCSQVGLSA-N 324.377 -0.859 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(N(C)C)cn2)C1 1047642821 CEEAHLPFDHMKLO-GJZGRUSLSA-N 302.378 -0.102 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(C)n2)C1 1049081616 JOXCEASOWWRVCC-RYUDHWBXSA-N 307.354 -0.575 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCN(C)C2=O)C1 1049242175 RXIQNWHSDBOMST-AVGNSLFASA-N 323.393 -0.539 30 20 DBED Cc1nonc1CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)C#N)C1 1049395704 WUADAUVTUCWXAA-UWJYBYFXSA-N 321.337 -0.890 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CCN2CC(N)=O 1049529529 OMXXQEMQOWFHQB-ILXRZTDVSA-N 318.421 -0.365 30 20 DBED C=C(Cl)CN1CCOC[C@H]1CNC(=O)[C@H]1CCC(=O)N1 1050848211 DLDMVYKRRRGLJM-GHMZBOCLSA-N 301.774 -0.166 30 20 DBED CC#CCN1CCOC[C@@H]1CNC(=O)c1ccc(C(N)=O)o1 1051012860 IUZDLFGRAJDGJS-NSHDSACASA-N 305.334 -0.168 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H]1CN(C(=O)CCOC)C[C@@H]1C 1051720483 HXYWXZLXPAOTQE-STQMWFEESA-N 323.393 -0.627 30 20 DBED N#CCN1CC2(CC[C@H](CNC(=O)[C@@H]3CCCNC3=O)O2)C1 1053613409 CVTVVTWJQUJXDF-VXGBXAGGSA-N 306.366 -0.614 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)c3nnn(C)c3C)CO2)C1 1053769204 UKYWQCQGQNOSLD-GFCCVEGCSA-N 303.366 -0.280 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)C[C@H]3CCCC(=O)N3)CO2)C1 1053866207 VEQCXIIMVGCNRE-VXGBXAGGSA-N 306.366 -0.472 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)C[C@H]3CCC(=O)N3)CO2)C1 1053954158 JTBWEMRUEXMLBA-OLZOCXBDSA-N 305.378 -0.362 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)[C@@H]3CCCN3C(C)=O)CO2)C1 1053987608 QDZLQYYZZDMWSN-GJZGRUSLSA-N 319.405 -0.020 30 20 DBED C=CCOCC(=O)N[C@@]1(CO)CCCN(C(=O)c2nc[nH]n2)C1 1055830984 HYJJUIGEGDQCPM-AWEZNQCLSA-N 323.353 -0.909 30 20 DBED O=C(N[C@]1(CO)CCCN(C(=O)C#CC2CC2)C1)c1ncc[nH]1 1055929411 NWLFDFQEHJWTRI-MRXNPFEDSA-N 316.361 -0.094 30 20 DBED N#Cc1cncc(N[C@@H]2CCN(C(=O)CN3CCCC3=O)C2)n1 1056579717 PPWXWPQDSOISQP-LLVKDONJSA-N 314.349 -0.017 30 20 DBED COC[C@@H](OC)C(=O)NCCN(CCO)C(=O)C#CC(C)C 1057524231 BTDVVOPOHGGRPT-CYBMUJFWSA-N 314.382 -0.756 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H]1CCCN(C(=O)[C@@H]2COC(=O)N2)C1 1057630922 GWHHLHJWUJZORV-YPMHNXCESA-N 315.333 -0.114 30 20 DBED N#Cc1cncc(N2CCC(NC(=O)[C@@H]3CCC(=O)N3)CC2)n1 1057886327 NEGPOQXBXSLFPX-LBPRGKRZSA-N 314.349 -0.288 30 20 DBED C=CCO[C@H](C)C(=O)N(CCO)CCNC(=O)COCC 1057921226 CIIXNVVGIUTGHC-GFCCVEGCSA-N 302.371 -0.449 30 20 DBED N#Cc1nccnc1N1CCC(NC(=O)[C@H]2CCNC2=O)CC1 1057925308 XNJANGAMVKGBOU-NSHDSACASA-N 314.349 -0.431 30 20 DBED CC#CCCCC(=O)N(CCO)CCNC(=O)c1ncn(C)n1 1058446361 ZHWXMXKOIZVCEC-UHFFFAOYSA-N 321.381 -0.441 30 20 DBED N#Cc1cnc(N2CC[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)cn1 1058545239 RVWRAJOSBNJAEM-IEBDPFPHSA-N 300.322 -0.835 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)c1cnn2c1CCC2 1058660823 JAUKFVZQIFYHEO-NSHDSACASA-N 319.365 -0.460 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)[C@H]1CCCCC(=O)N1 1058787400 HPCONEUWIZUMFE-NWDGAFQWSA-N 324.381 -0.858 30 20 DBED C=CCCOCC(=O)NCC[C@@H]1CCN(C(=O)CC(N)=O)C1 1059383312 QQBLVTJSMYJXHU-GFCCVEGCSA-N 311.382 -0.191 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1COCCN1C(=O)Cc1cnc[nH]1 1061571966 KZQBIDRRHYXUKL-CQSZACIVSA-N 316.361 -0.291 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1COCCN1C(=O)c1cnn[nH]1 1061573485 TUVWHEFRLFLRES-LLVKDONJSA-N 303.322 -0.825 30 20 DBED O=C(C#CC1CC1)N1CCOC[C@H]1CNC(=O)[C@@]1(F)CCOC1 1061807638 BAPJJBCGGVIIRT-CZUORRHYSA-N 324.352 -0.128 30 20 DBED N#Cc1cncc(N2C[C@@H]3C[C@H]2CN3C(=O)Cn2cncn2)n1 1062492606 CQDNFEIGPFPVQM-RYUDHWBXSA-N 310.321 -0.571 30 20 DBED COCCOCC(=O)N1CCO[C@H](CNC(=O)[C@@H](C)C#N)C1 1064985298 HHSHNAAKDVGTSJ-NWDGAFQWSA-N 313.354 -0.847 30 20 DBED C[C@@]1(NC(=O)[C@H]2CNC(=O)N2)CCN(c2ccnc(C#N)n2)C1 1065326311 OCXYXTCKQMEVGF-YMTOWFKASA-N 315.337 -0.885 30 20 DBED N#Cc1nccnc1N1C[C@H](O)[C@H](CNC(=O)c2cnco2)C1 1067686160 AESVUZNKIFJRAI-KOLCDFICSA-N 314.305 -0.437 30 20 DBED COC[C@H](C)C(=O)N1CC2(C1)CN(C(=O)[C@H](C)C#N)CCO2 1068450892 APHWGFTVDQKQQS-NEPJUHHUSA-N 309.366 -0.132 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1COC2(C1)CN(C(=O)C1CC1)C2 1068819751 LUSSGNJZIAZNMY-GFCCVEGCSA-N 319.361 -0.978 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1COC2(C1)CN(C(=O)CC(=O)N(C)C)C2 1069002793 HSCUZVIKDMJVJX-GHMZBOCLSA-N 322.365 -0.890 30 20 DBED C=CCOCC(=O)NCC1(NC(=O)c2cnn[nH]2)CCOCC1 1070164675 VLPHBTFEFOAGRK-UHFFFAOYSA-N 323.353 -0.598 30 20 DBED N#CCN[C@@H]1CN(C(=O)[C@@H]2CCCOCC2)C[C@@H]1n1ccnn1 1070185469 XLPSAGIAHPQSLJ-MCIONIFRSA-N 318.381 -0.040 30 20 DBED C=CCN1C[C@H]2C[C@H]3CN(C(=O)c4cnn(C)n4)C[C@@]3(C1)O2 1070867113 GDVMXDZFQFUIAY-YWPYICTPSA-N 303.366 -0.084 30 20 DBED N#CCN1CCNC(=O)CCN(C(=O)Cc2cncnc2)CC1 1070958873 XVSKROKAXZGUOF-UHFFFAOYSA-N 316.365 -0.807 30 20 DBED C#CCN1CCC2(C1)CN(C(=O)C1CC3(C1)NC(=O)NC3=O)C2 1073052280 MEDXKZZHNYHXSZ-UHFFFAOYSA-N 316.361 -0.858 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)C#CC(C)C 1076218919 LPYJGUUUFWABHY-ZDUSSCGKSA-N 305.378 -0.204 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3cccn3)nc2)C1 1077482026 SHZSHGSYXVBLGV-CHWSQXEVSA-N 312.333 -0.434 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3nnn(C)c3C2)C1 1077576178 CWXYHFUSYLBHLS-UXIGCNINSA-N 319.409 -0.343 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2cc(C)nc3[nH]nc(C)c23)C1 1077836461 RSIAJMYPPRPEIT-CHWSQXEVSA-N 313.361 -0.017 30 20 DBED C[C@@H](C#N)C(=O)N1CCCO[C@H](CNCc2nc(O)n[nH]2)C1 1078358405 PJZKMTJGSQTJNR-VHSXEESVSA-N 308.342 -0.623 30 20 DBED C=CCOCC(=O)N1CC(N(CC)C(=O)[C@]2(C)CCC(=O)N2)C1 1080487372 UWMUZDSRTQXOLV-INIZCTEOSA-N 323.393 -0.083 30 20 DBED C#CCCCC(=O)NC1(CO)CCN(C(=O)c2cnon2)CC1 1080834111 LNSVNWIJKRWCTL-UHFFFAOYSA-N 320.349 -0.044 30 20 DBED C=CCC(CC=C)C(=O)N1C[C@H](O)[C@H](CNC(=O)CC(N)=O)C1 1081368481 OEGATBHJJFFKSR-OLZOCXBDSA-N 323.393 -0.434 30 20 DBED C=CC(C)(C)C(=O)NC[C@@H]1CN(C(=O)c2cnn[nH]2)C[C@@H]1O 1081644645 DEFODDLGQMYTRY-KOLCDFICSA-N 307.354 -0.434 30 20 DBED CC#CCN1C[C@@H](NC(=O)[C@@H]2CCC(=O)N(C)C2)[C@H](OC)C1 1082385968 NJIDQYYVNYQLGB-MGPQQGTHSA-N 307.394 -0.307 30 20 DBED C=CCn1cc(C(=O)N2C[C@@H](N[C@@H]3CCNC3=O)[C@H](C)C2)nn1 1082791210 GCTASGMRFVPSJZ-IJLUTSLNSA-N 318.381 -0.597 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)C[C@@H]1CCCC(=O)N1 1083138003 BDXFINMQFUSKAS-SOUVJXGZSA-N 319.405 -0.020 30 20 DBED C=C(C)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)CN1CC(=O)NC1=O 1083225956 XRQPYGRFXUUWKB-NWDGAFQWSA-N 322.365 -0.974 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CCN(C(C)=O)C1 1083260779 PZTKPISLNMDZRJ-OWCLPIDISA-N 319.405 -0.210 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN(CC(=O)N3CCC3)C[C@@H]2O)C1 1083756089 BLFMTSFUIMSJBA-OLZOCXBDSA-N 307.394 -0.264 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2cc(-n3ccnc3)ccn2)C1 1083915534 WUQFXOQFZNMPDG-CABCVRRESA-N 311.345 -0.325 30 20 DBED C=CCn1cc(C(=O)N(C)C[C@@H]2CCN2[C@H](C)C(=O)NC)nn1 1085861252 UJVOUQZPZZIDEE-NEPJUHHUSA-N 320.397 -0.255 30 20 DBED CN(C[C@H]1CCN1CC#N)C(=O)c1cnn2c(=O)cc[nH]c12 1085861475 ZEZMTJMAIXPRLM-SNVBAGLBSA-N 300.322 -0.308 30 20 DBED N#CCN1C[C@H]2CC[C@H]1[C@H]1CN(C(=O)CCn3cnnn3)C[C@H]21 1087399861 YLAXTCOZTAOBSF-MQYQWHSLSA-N 315.381 -0.244 30 20 DBED C[C@H]1CC[C@H](NC(=O)CC(N)=O)CN1c1cnc(C#N)cn1 1089127757 SMNBMFQUCKMOLB-UWVGGRQHSA-N 302.338 -0.303 30 20 DBED Cc1nc2ccnn2cc1C(=O)N[C@H]1CCN(CC#N)C[C@H]1O 1090690891 VJJLZXYZEBOMQL-QWHCGFSZSA-N 314.349 -0.274 30 20 DBED C#CCCN1CC[C@H](NC(=O)Cn2ccccc2=O)[C@@H](O)C1 1090797530 CRWQRQQZSFVDER-KBPBESRZSA-N 303.362 -0.577 30 20 DBED N#CCSCC(=O)N[C@@H]1CN(c2cc(F)ncn2)C[C@@H]1O 1091071180 YZUQLRYUJHUUCP-BDAKNGLRSA-N 311.342 -0.462 30 20 DBED N#Cc1nc(=N[C@@H]2CC[C@H](CNC(=O)CNC(N)=O)C2)cc[nH]1 1091534693 IWKRCQRTRRQBBN-VHSXEESVSA-N 317.353 -0.865 30 20 DBED COCCOCC(=O)N1CCN(c2nc(C)cc(C#N)n2)CC1 1093151517 UJNORYOFXKPPFY-UHFFFAOYSA-N 319.365 -0.032 30 20 DBED CS(=O)(=O)CC(=O)N[C@H]1[C@@H]2CN(c3ccc(C#N)cn3)C[C@@H]21 1093224810 BVBDSQPZDFXNLA-YABSGUDNSA-N 320.374 -0.451 30 20 DBED CNC(=O)CC(=O)NC1[C@@H]2CN(c3cnc(C#N)cn3)C[C@@H]12 1093241591 ICWGIYMQWVZSQG-NXEZZACHSA-N 300.322 -0.965 30 20 DBED N#Cc1nccnc1N1C[C@H]2C(NC(=O)CCc3cnn[nH]3)[C@@H]2C1 1093362373 VIWQDLYPSRNFNT-GHMZBOCLSA-N 324.348 -0.350 30 20 DBED CNC(=O)[C@@H](C)N1CC(OC2CCN(C(=O)[C@@H](C)C#N)CC2)C1 1093517508 PXQWERWBCSKNEN-NWDGAFQWSA-N 322.409 -0.028 30 20 DBED Cc1cc(C#N)nc(NCCNC(=O)c2cc(C(N)=O)c[nH]2)n1 1093832144 KEMJMMLFUGIHQP-UHFFFAOYSA-N 313.321 -0.074 30 20 DBED CN(C)C(=O)C1(C(=O)NCCN=c2cc[nH]c(C#N)n2)CC1 1093852426 LDUJYTPFGBRXPT-UHFFFAOYSA-N 302.338 -0.833 30 20 DBED N#Cc1ccc(NCCNC(=O)CNC(=O)c2ccoc2)nn1 1094182744 MCFFAXCOWJXJJI-UHFFFAOYSA-N 314.305 -0.101 30 20 DBED N#Cc1nc(=NCCNC(=O)c2cnn3ncccc23)cc[nH]1 1094212091 XBFDHNIVSOUSMV-UHFFFAOYSA-N 308.305 -0.345 30 20 DBED CNC(=O)CC(=O)N1CCCN(c2nc(C)cc(C#N)n2)CC1 1095177319 OMHLFIUCLVJUAX-UHFFFAOYSA-N 316.365 -0.169 30 20 DBED CN(CCCNC(=O)CN1CCCC1=O)c1ccnc(C#N)n1 1095486027 BEXRAGIKHHDTIE-UHFFFAOYSA-N 316.365 -0.087 30 20 DBED C[C@H](NC(N)=O)C(=O)NCCCN(C)c1ncccc1C#N 1095534306 JEIRPNMGASTAOK-JTQLQIEISA-N 304.354 -0.047 30 20 DBED CNC(=O)NCCC(=O)NCCCN(C)c1ccnc(C#N)n1 1095537365 KMIZNSZKOALFQU-UHFFFAOYSA-N 319.369 -0.390 30 20 DBED N#Cc1cnc(N2CC[C@H](NC(=O)CO[C@@H]3CCOC3)C2)cn1 1096438961 ACKBAFDDSSGVTD-WCQYABFASA-N 317.349 -0.151 30 20 DBED C[C@@H](CCNC(=O)[C@@H]1COC(=O)N1)Nc1cnc(C#N)cn1 1099077361 MHKAWSGNZNXDHP-WPRPVWTQSA-N 304.310 -0.237 30 20 DBED C[C@@H](CCNC(=O)C1(C(N)=O)CC1)N=c1cc[nH]cc1C#N 1099658009 BDXXYBDHGIKRFJ-JTQLQIEISA-N 301.350 -0.053 30 20 DBED CNC(=O)NCC(=O)NCC[C@H](C)Nc1nc(C)cc(C#N)n1 1099748543 YOVAVMQBBLRTPT-VIFPVBQESA-N 319.369 -0.108 30 20 DBED C#CCN1CC[C@@H](NC(=O)CCn2c(C)csc2=O)[C@@H](O)C1 1099879301 ILXIBHOQWHIDAE-OLZOCXBDSA-N 323.418 -0.207 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2conc2C)[C@@H](O)C1 1099978442 GGIKVACJOVUNAD-KBPBESRZSA-N 307.350 -0.202 30 20 DBED CCc1nc(C#N)cc(N(C)CCNC(=O)[C@@H]2COC(=O)N2)n1 1100049455 GPWATGPLXCATBJ-JTQLQIEISA-N 318.337 -0.429 30 20 DBED C#CCN1CC[C@@H](NC(=O)COCc2nc(CC)no2)[C@H](O)C1 1100072543 XDXCKDOUTHRYSE-VXGBXAGGSA-N 322.365 -0.667 30 20 DBED C=CCn1cc(C(=O)NCC2CC(N[C@H](C)C(=O)NC)C2)nn1 1100739105 IDXLQUZZAGPFNK-VOMCLLRMSA-N 320.397 -0.303 30 20 DBED Cc1c(C(=O)N(C)CCNc2cncc(C#N)n2)nnn1C 1101535181 VSAZRVYORSNBMX-UHFFFAOYSA-N 300.326 -0.031 30 20 DBED CN(CCNc1cnc(C#N)cn1)C(=O)C[C@@H]1CC(=O)NC1=O 1101680355 JFAOFAUUEPNFQY-VIFPVBQESA-N 316.321 -0.729 30 20 DBED CC#CCN1C[C@@H](C)[C@H](CNC(=O)[C@@H](C)NC(=O)COC)C1 1101992594 VWJOPPSOVLRBDO-MGPQQGTHSA-N 309.410 -0.155 30 20 DBED CN1C[C@H](C(=O)N(C)CCNc2nccnc2C#N)CC1=O 1102004448 PZPCMINSGLEXKF-SNVBAGLBSA-N 302.338 -0.303 30 20 DBED COCC#CCN1C[C@@H](C)[C@H](CNC(=O)[C@H]2CC(=O)N(C)C2)C1 1102014223 RAZJGAMJGWRQGD-QLFBSQMISA-N 321.421 -0.201 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)Cc2cnoc2)C1 1102267732 CYWCQSPHUHECLQ-TZMCWYRMSA-N 318.377 -0.349 30 20 DBED C=CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)c2nc[nH]n2)C1 1102473792 QFRGJXVHEAQSDN-GHMZBOCLSA-N 306.370 -0.595 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1CNC(=O)C(=O)NCC(F)(F)F 1102487095 KSVXRWAJCHUWHH-RKDXNWHRSA-N 306.288 -0.127 30 20 DBED CC[C@@H](CNC(=O)[C@@H]1CN(C)CCO1)N=c1cc[nH]c(C#N)n1 1103032030 AQONEEZEIOHYBM-RYUDHWBXSA-N 318.381 -0.593 30 20 DBED CC[C@@H](CNC(=O)[C@@H]1COC(=O)N1)Nc1nccnc1C#N 1103052229 CHCGXIFBTLPIIL-WPRPVWTQSA-N 304.310 -0.237 30 20 DBED C[C@H](CNC(=O)C1CS(=O)(=O)C1)CNc1cncc(C#N)n1 1104096475 KGROKQAQFMDXNM-VIFPVBQESA-N 323.378 -0.443 30 20 DBED COCCC(=O)NC[C@H]1CN(c2ccc(C#N)nn2)CCO1 1104284857 PHOYLFMTFDAHDT-LBPRGKRZSA-N 305.338 -0.294 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CN(c2nccnc2C#N)CCO1 1104301577 HUVJIPZTGKYXMQ-GHMZBOCLSA-N 300.322 -0.171 30 20 DBED C[C@@H](CNc1nccnc1C#N)N(C)C(=O)Cn1cncn1 1104570795 VNTMVOMFEGZDJG-JTQLQIEISA-N 300.326 -0.101 30 20 DBED C[C@@H](CNc1nccnc1C#N)N(C)C(=O)C1CS(=O)(=O)C1 1104698023 MSQVTXFPCCDIDD-VIFPVBQESA-N 323.378 -0.348 30 20 DBED Cc1nn[nH]c1C(=O)N(C)[C@H](C)CN=c1cc[nH]c(C#N)n1 1104751874 FWXFQHGAOLEEGM-MRVPVSSYSA-N 300.326 -0.231 30 20 DBED C=CCOCC(=O)N1CC(n2cc(CNCCCOC)nn2)C1 1105191880 GFIAQGPAQZMYAD-UHFFFAOYSA-N 323.397 -0.010 30 20 DBED C#CCNC(=O)CC(=O)N(C)CCN(C)c1cc(F)ncn1 1105368694 WTKPYCWNSYPSEH-UHFFFAOYSA-N 307.329 -0.350 30 20 DBED C=CCCOCC(=O)N1CC(n2cc(CNCCCO)nn2)C1 1105380610 BNKRLXVKBTVBIF-UHFFFAOYSA-N 323.397 -0.274 30 20 DBED CN(CCN(C)c1cncc(C#N)n1)C(=O)Cn1cncn1 1105403610 LXJLRJKOWPWANY-UHFFFAOYSA-N 300.326 -0.465 30 20 DBED N#Cc1cncc(NC[C@@H](O)CNC(=O)Cn2cccn2)n1 1105722747 XFIPSZXIQAJGTH-LLVKDONJSA-N 301.310 -0.866 30 20 DBED Cc1nn(C)cc1C(=O)NC[C@H](O)CNc1cncc(C#N)n1 1105763446 IGOIBBQAPJLCTM-LLVKDONJSA-N 315.337 -0.407 30 20 DBED N#Cc1cnc(NC[C@H](O)CNC(=O)COCC(F)F)cn1 1106032955 YJNIGKNPLPNVRL-VIFPVBQESA-N 315.280 -0.481 30 20 DBED C[C@@H]1CC[C@H](C(=O)NC[C@H](O)CN=c2cc[nH]cc2C#N)O1 1106110487 RZJVAISKUUQWQV-MPKXVKKWSA-N 304.350 -0.168 30 20 DBED Cc1c[nH]c(C(=O)NC[C@@H](O)CN=c2cc(C)[nH]cc2C#N)n1 1106134932 JNMOLSFNNFEIPL-LBPRGKRZSA-N 314.349 -0.082 30 20 DBED C=CCN1CC(n2cc(CNC(=O)Cc3nonc3C)nn2)C1 1107225629 ASAZCLBMBLOUAN-UHFFFAOYSA-N 317.353 -0.129 30 20 DBED C#CCNC(=O)CN1CCO[C@](C)(CNC(=O)C2(C)CC2)C1 1107959388 JRNOAIMUCFFSRR-MRXNPFEDSA-N 307.394 -0.257 30 20 DBED C[C@H](CN=c1cc[nH]cc1C#N)NC(=O)[C@H]1CCC(=O)N1C 1108061115 WUVPTFHPUSBOBL-ZWNOBZJWSA-N 301.350 -0.087 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)c2cccc(=O)n2C)C1 1108205081 FMTNXMJNVBHXLE-MRXNPFEDSA-N 303.362 -0.161 30 20 DBED C[C@H](CNc1nccnc1C#N)NC(=O)CN1CCCNC1=O 1108208472 HNUIGYWXBZGSPZ-SNVBAGLBSA-N 317.353 -0.320 30 20 DBED C=CCCN1CCO[C@@](C)(CNC(=O)C2CC(=O)NC(=O)C2)C1 1108279026 XSUPDHDBIKHFCB-INIZCTEOSA-N 323.393 -0.178 30 20 DBED C#CCCN1CCO[C@@](C)(CNC(=O)[C@@H]2CN(CC)CCO2)C1 1108410415 QSRXFURIYHHXRO-RDJZCZTQSA-N 323.437 -0.063 30 20 DBED C[C@@H](CN=c1cc[nH]cc1C#N)NC(=O)[C@@H]1CCC(=O)N1C 1108642596 WUVPTFHPUSBOBL-GWCFXTLKSA-N 301.350 -0.087 30 20 DBED C[C@@H](CN(C)c1ccncc1C#N)NC(=O)CCn1cnnn1 1109052976 DDSVITWDTVJMGZ-NSHDSACASA-N 314.353 -0.029 30 20 DBED CN(CCCNc1ccc(C#N)nn1)C(=O)[C@@H]1COCCN1C 1109410334 XMWSLLSGRDNZII-ZDUSSCGKSA-N 318.381 -0.061 30 20 DBED C[C@H](NS(C)(=O)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC#N 1109760667 LUHCATQHIGQMSX-VLEAKVRGSA-N 300.384 -0.831 30 20 DBED CCOCCC(=O)NC[C@@]1(O)CCN(c2cnc(C#N)cn2)C1 1111042319 SLWWYKMTCRANIF-HNNXBMFYSA-N 319.365 -0.168 30 20 DBED COCCC(=O)N[C@@]1(CO)CCCN(c2ccc(C#N)nn2)C1 1111329582 FRPGAZMYXQLKSR-HNNXBMFYSA-N 319.365 -0.168 30 20 DBED N#Cc1cncc(NCCN(CCO)C(=O)c2cc[nH]n2)n1 1111426628 FRNOPOIXSNILSZ-UHFFFAOYSA-N 301.310 -0.382 30 20 DBED CNC(=O)CC(=O)N(CCO)CCN=c1cc(C)[nH]cc1C#N 1111458118 HSZYLCQPKVQTSC-UHFFFAOYSA-N 319.365 -0.948 30 20 DBED N#Cc1ccc(NCCN(CCO)C(=O)c2cnon2)nn1 1111494819 KRPDXIAXEPMEEK-UHFFFAOYSA-N 303.282 -0.722 30 20 DBED COC[C@H](C)[C@@H](C)C(=O)N1CCN(CC(=O)NCC#N)CC1 1112944423 DDMWAJUVOCUSJM-QWHCGFSZSA-N 310.398 -0.311 30 20 DBED C[C@H](NC(=O)Cn1cnnc1O)[C@@H](C)N=c1cc[nH]c(C#N)n1 1112978496 MPBMXGILIFJTIW-BDAKNGLRSA-N 316.325 -0.927 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)c2[nH]nnc2C)CC1 1113182004 SNFHHYWPJCOPEK-NSHDSACASA-N 304.354 -0.991 30 20 DBED C[C@@H](CNC(=O)Cn1cnnc1O)N(C)c1cncc(C#N)n1 1113569076 SDXRXCYSXHIXNX-VIFPVBQESA-N 316.325 -0.714 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCNC(=O)C1)N(C)c1ccc(C#N)nn1 1113575490 WFDQGUFRKBNAPT-QWRGUYRKSA-N 316.365 -0.185 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCNC1=O)N(C)c1nccnc1C#N 1113802219 JWFOIYCWALDKQQ-UWVGGRQHSA-N 302.338 -0.575 30 20 DBED CCCNC(=O)CN1C[C@H]2[C@H](NC(=O)CSCC#N)[C@H]2C1 1113890697 FJMZFZUFCPRVEW-YABSGUDNSA-N 310.423 -0.184 30 20 DBED C=CCOCC(=O)NC1[C@H]2CN(CC(=O)N(C)C3CC3)C[C@H]12 1114035017 QEFWCRVINPWPPH-STQMWFEESA-N 307.394 -0.144 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@@H]2CN(CC[C@@H]3CCOC3)C[C@@H]12 1114159539 HGVWADLVXHLCJR-MGPQQGTHSA-N 319.405 -0.401 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)C#CC(C)C)[C@H]2C1 1114234609 NVDYFSIHDDYOHM-IHRRRGAJSA-N 301.390 -0.170 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@H](C)NC(=O)CC)[C@H]2C1 1114321272 JRVQKJVHVTUCDC-UUIJZJDISA-N 322.409 -0.750 30 20 DBED CNC(=O)CC(=O)NC[C@H]1[C@@H]2CN(c3ncccc3C#N)C[C@H]12 1114529758 DPHPWINSCLFPAJ-XYYAHUGASA-N 313.361 -0.112 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](C2CC2)N(C)C(=O)C(N)=O)n1 1115566484 QIKKMTGBFJSNIO-NSHDSACASA-N 302.338 -0.209 30 20 DBED C#C[C@@H](C)NC(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 1116641813 IFOHZYJSYZAUBN-NXEZZACHSA-N 301.368 -0.999 30 20 DBED CC1(C)CN(C(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)C[C@H](CO)O1 1118118334 DXMRLZTZVKMOKX-QJPTWQEYSA-N 309.366 -0.207 30 20 DBED C=CCS(=O)(=O)CCn1nnnc1N1CC[C@@H](OC)C1 1120105994 HTGNXQUTOOSADO-SNVBAGLBSA-N 301.372 -0.501 30 20 DBED C[C@@H](CN(C)C(=O)Cn1ncnn1)Nc1ccc(C#N)nc1 1120127873 CMQXNFYCCSXNBU-JTQLQIEISA-N 300.326 -0.101 30 20 DBED N#Cc1cccnc1N[C@H](CO)CNC(=O)c1ccc(O)nn1 1121177120 GDBPCTHJVCONLR-JTQLQIEISA-N 314.305 -0.348 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H](CO)Nc1cc(C)nc(C)n1 1121353110 MFPULBLDXQTRBW-GFCCVEGCSA-N 319.365 -0.878 30 20 DBED Cc1cc(=N[C@H](CO)CNC(=O)c2nonc2C)c(C#N)c[nH]1 1121735638 YCCSJTUPDRMJII-NSHDSACASA-N 316.321 -0.422 30 20 DBED Cn1cncc1CC(=O)NC[C@@H](CO)Nc1nccnc1C#N 1121801650 WATBCQKXELKAOK-JTQLQIEISA-N 315.337 -0.787 30 20 DBED C=CCN(C(=O)C[C@@]1(O)CCCNC1)[C@@H]1CCS(=O)(=O)C1 1121852348 ULCWXNWCKCRXAX-OCCSQVGLSA-N 316.423 -0.307 30 20 DBED Cc1nc[nH]c1CC(=O)NC[C@H](CO)Nc1ccc(C#N)nn1 1121854546 OSKXCRPDQFEXHE-LLVKDONJSA-N 315.337 -0.489 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)C(C)(F)F 1122573602 AOJXYKAHSALRSH-MRVPVSSYSA-N 306.313 -0.252 30 20 DBED C=CCOCC(=O)NCCN[C@@H]1CCN(c2ccn(C)n2)C1=O 1124772448 DVNRKCLBTJVYGA-GFCCVEGCSA-N 321.381 -0.566 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)Cc1ccon1 1125098711 LSUMVRWYRWSMIB-SNVBAGLBSA-N 323.353 -0.677 30 20 DBED C#CCNC(=O)CC(=O)NCCNCc1nccn1C(F)F 1125978354 OVZVBSIJVONJBR-UHFFFAOYSA-N 313.308 -0.377 30 20 DBED C=C[C@](C)(O)CC(=O)NCCNCC[C@H]1CCS(=O)(=O)C1 1126366580 WXAQZLLWNKADQO-JSGCOSHPSA-N 318.439 -0.156 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@@H](C)c1ccnn1C 1127588536 DUQYYUNPWOOQOP-RYUDHWBXSA-N 305.382 -0.633 30 20 DBED C#CCCCCC(=O)N[C@@H]1CN(CCO)C[C@@H]1n1ccnn1 1128913525 JKISGWYYANCGFK-KGLIPLIRSA-N 305.382 -0.195 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@@H]1CCc2ncncc2C1 1129207370 GKOXUXPSPARZFE-GFCCVEGCSA-N 317.393 -0.411 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)C2CC2)C[C@@H]1n1ccnn1 1129511197 JZNDTLGQBIDZRX-OLZOCXBDSA-N 318.381 -0.668 30 20 DBED COCC#CCN1CC[C@]2(C1)CN(C(=O)CC(N)=O)C[C@H](C)O2 1131641706 HVPREKRKSNXMQZ-BBRMVZONSA-N 323.393 -0.797 30 20 DBED C=C[C@](C)(CCOC)C(=O)NCCNCCN1CCNC1=O 1131870316 PSRNDYVFYRUING-OAHLLOKOSA-N 312.414 -0.054 30 20 DBED C=CCNC(=O)CNC[C@@H]1CN(C(=O)c2cnn[nH]2)CC[C@@H]1C 1132946555 TVHPFXPRPFBNBZ-NWDGAFQWSA-N 320.397 -0.205 30 20 DBED C=C(C)CN(CC)C(=O)CNCCNC(=O)CC(=O)N(C)C 1134942072 XMCWXWYHKWVOHM-UHFFFAOYSA-N 312.414 -0.405 30 20 DBED Cc1nc[nH]c1CC(=O)N[C@H](C)C[C@@H](C)NCC(=O)NCC#N 1136031806 QOFBSFZTFUNRMH-GHMZBOCLSA-N 320.397 -0.227 30 20 DBED C#CCCN1CCC(CCOC)(NC(=O)Cn2ncnn2)CC1 1151138268 XPBLYIRYANITFH-UHFFFAOYSA-N 320.397 -0.316 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CCC(=O)N(C)C1 1152511309 ZLGXIKCKOPWHNM-NEPJUHHUSA-N 310.398 -0.749 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)CC[C@@]1(C)CCC(=O)N1 1153905982 MXMNZRPVPWNPDN-LRDDRELGSA-N 322.409 -0.721 30 20 DBED CCN(CC#CCOC)[C@H](C)CNC(=O)[C@@H](C)S(C)(=O)=O 1154038829 ORWBIYSYVZLDGV-CHWSQXEVSA-N 318.439 -0.104 30 20 DBED CN1CCC[C@@H]1C(=O)NCCC1(CNCC(=O)NCC#N)CC1 1163820204 DPXUWQMPHXQRBM-CYBMUJFWSA-N 321.425 -0.404 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@@H]1C[C@H]1c1cncn1C 1166961010 MVLRYCVKVVNFFH-CHWSQXEVSA-N 317.393 -0.631 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NCCCNC[C@H](O)COC 1167667250 HMPZVEHMDRJLDN-KBPBESRZSA-N 315.414 -0.440 30 20 DBED C[C@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)C[C@H]1COC(=O)C1 1178467771 OFOFHLWCDXWFNJ-TUAOUCFPSA-N 322.365 -0.842 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)c2nc[nH]n2)[C@H]1C 1179740452 RRNDPHDGQUOKEF-VWYCJHECSA-N 304.354 -0.865 30 20 DBED CC#CCN[C@@H]1CCN(C(=O)c2ccc(-n3cnnn3)cn2)C1 1184527088 JOJHGGLNFLVMJY-GFCCVEGCSA-N 311.349 -0.115 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)[C@@H]2C1 1188845534 FSVCAFZEKKUQMS-ZHMBSYLPSA-N 317.389 -0.839 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@@H]1CCN(C(=O)COCC=C)C1 1189370919 MJPJTCHVJHHPAC-ZIAGYGMSSA-N 307.394 -0.140 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@@H]2CCN(C(=O)c3nc[nH]n3)[C@@H]2C1 1189453223 FVTBLHZRXSZYNC-GRYCIOLGSA-N 318.381 -0.358 30 20 DBED CN(CC(=O)NCC#N)[C@H]1CCN(C(=O)CC[C@@H]2CCOC2)C1 1189592689 BABKZUFGBSPDIT-KGLIPLIRSA-N 322.409 -0.024 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C[C@@H]2CCc3ncnn32)C[C@H]1O 1191777213 GKISFRWFJWLYPB-YNEHKIRRSA-N 321.381 -0.871 30 20 DBED N#Cc1ccc(CN2C[C@@H](O)[C@H](NC(=O)CC(N)=O)C2)s1 1191967262 GMWQUEZGNYYLNH-GHMZBOCLSA-N 308.363 -0.844 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(Cc2nccc(C)n2)C[C@H]1O 1192524791 LYOKFVZHPOSQTI-IOASZLSFSA-N 320.393 -0.227 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CN(CCO[C@@H]2CC2(F)F)C[C@H]1O 1192828115 YVRSYQDCNZMYJE-JHJVBQTASA-N 314.332 -0.015 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)CCC(=C)C)C1 1193377672 WTDIZQAVTHJEIJ-BFHYXJOUSA-N 307.394 -0.358 30 20 DBED COCC#CCN(C)[C@@H]1CCN(C(=O)CN2C(=O)CCC2=O)C1 1193915507 RUNDUBNEUSPWLG-CYBMUJFWSA-N 321.377 -0.682 30 20 DBED COCC[C@@H](C)C(=O)N1CC[C@@H](N(C)CC(=O)NCC#N)C1 1194143915 FGGFBKVQEBUXCQ-CHWSQXEVSA-N 310.398 -0.169 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C2(C)CC(=C)C2)C1 1196021345 SWMGCKUMBLYMGW-CHWSQXEVSA-N 305.378 -0.747 30 20 DBED C=CCOCCN1CCCN(C(=O)c2nnc(O)nc2O)CC1 1196424514 ZCXJIYYFZDCSJW-UHFFFAOYSA-N 323.353 -0.367 30 20 DBED COCC#CCN1CCCN(C(=O)c2cn(C)c(=O)n2C)CC1 1198283270 RWGBEVCMOBEIOC-UHFFFAOYSA-N 320.393 -0.479 30 20 DBED C=CCOCC(=O)N1CCCO[C@@H](CN[C@H](CC)C(N)=O)C1 1200114710 HNHDEABWECRJGF-QWHCGFSZSA-N 313.398 -0.340 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CCN(C(=O)CC(C)(C)O)CC1 1200340855 HXQPYIYSBMHGAL-GFCCVEGCSA-N 309.410 -0.134 30 20 DBED C#CCOCCC(=O)N1CCC(NCc2nc(=O)n(C)[nH]2)CC1 1200513950 MMLYKYVUQRDJDW-UHFFFAOYSA-N 321.381 -0.771 30 20 DBED C#CCNC[C@H]1CN(C(=O)[C@H]2CCCCC(=O)N2)CCCO1 1201388819 HFHPZTKBXRFDRX-UONOGXRCSA-N 307.394 -0.115 30 20 DBED C[C@H]1COCC[C@@H]1C(=O)N1CCC(NCC(=O)NCC#N)CC1 1202380119 QBTPMQSQJDWLEP-JSGCOSHPSA-N 322.409 -0.121 30 20 DBED CN(C)CCC(=O)N[C@H]1C[C@@H](NCC(=O)NCC#N)C12CCC2 1203347561 AJHFFBANEMBQTG-OLZOCXBDSA-N 321.425 -0.405 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)[C@@]2(C)CCOC2)CC1 1206688108 JNLFMGAMNYTEGV-KRWDZBQOSA-N 321.421 -0.009 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)C[C@@H]1COC(=O)C1 1206870654 GQLKQQUQUQXBSJ-GRYCIOLGSA-N 322.365 -0.984 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@@H](NCC(=O)NCC=C)C1 1207870020 OKFMFMCRYCJQHF-CYBMUJFWSA-N 320.393 -0.991 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)c1csc(O)n1 1208360587 SLFGOKCVYAARRC-RKDXNWHRSA-N 323.378 -0.461 30 20 DBED CC[C@H](NC(C)=O)C(=O)N[C@@H]1CN(CC#CCOC)C[C@H]1C 1208826807 AEBDULVKRRPWFS-VHDGCEQUSA-N 309.410 -0.013 30 20 DBED CC#CCN1C[C@@H](NC(=O)CC[C@H]2NC(=O)NC2=O)[C@H](C)C1 1210884094 UYVBBRLTMKBNNQ-IJLUTSLNSA-N 306.366 -0.566 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2ccn(C)c2)[C@H](OC)C1 1212117685 XMJJNIONZUVTHZ-ZIAGYGMSSA-N 318.377 -0.797 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)CC(C)(C)O)[C@H](OC)C1 1212196625 YIZVLQKXGIEGSG-VXGBXAGGSA-N 313.398 -0.735 30 20 DBED CO[C@@H]1CN(Cc2cn(C)nn2)C[C@H]1NC(=O)C#CC(C)C 1212241714 WSTVOGFPPPPIDW-ZIAGYGMSSA-N 305.382 -0.210 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)C[C@@H](C)C2CC2)[C@H](OC)C1 1213938330 PGUZODQXQJHCPH-BPLDGKMQSA-N 321.421 -0.013 30 20 DBED C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1NCCn1cncn1 1214177326 VFRJSCUFSAZHFB-VXGBXAGGSA-N 308.411 -0.029 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)Cn2ccnc2)C[C@H]1C 1217000771 NEZKNACOEPICRF-CHWSQXEVSA-N 303.366 -0.931 30 20 DBED COCC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1ccon1 1217360079 HBZVXWVMOFZLSL-UONOGXRCSA-N 305.334 -0.150 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2ccc(F)cc2)C1 1219098855 VHKQNORHLQGZFT-KGLIPLIRSA-N 321.352 -0.097 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(Cc2ccn(CC)n2)C[C@@H]1O 1219536715 XATGPDJBSAMFTG-YCPHGPKFSA-N 322.409 -0.109 30 20 DBED CC(C)(CC(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@@H]1O)C1CC1 1219571557 VTWZSJXQTWRJAC-OLZOCXBDSA-N 322.409 -0.386 30 20 DBED C#CCC1(C(=O)N[C@@H]2CN(Cc3cnn(C)n3)C[C@@H]2O)CCC1 1219783608 BFPGRGJIXFRBOM-KGLIPLIRSA-N 317.393 -0.330 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)COCc2cc(C)no2)C1 1219866095 QGIVJRQWSQLHQY-KGLIPLIRSA-N 307.350 -0.316 30 20 DBED COc1cccc(COCC(=O)N[C@@H]2CN(CC#N)C[C@@H]2O)c1 1219932373 GRTMJHKIABWSPJ-CABCVRRESA-N 319.361 -0.103 30 20 DBED C#CCCN1CC[C@@H]2CN(C(=O)CCS(=O)(=O)NC)[C@@H]2C1 1221547452 OELSSPHPCMHABB-CHWSQXEVSA-N 313.423 -0.518 30 20 DBED C=CCO[C@H](C)C(=O)N1CCC[C@@H](NCC(=O)NC(N)=O)C1 1222068485 VHMUSHISRYDQRQ-GHMZBOCLSA-N 312.370 -0.647 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)[C@H]2C[C@@H]2OCC)CC1 1222455484 RTGMNUXNHSRKAA-GJZGRUSLSA-N 321.421 -0.011 30 20 DBED C#CCN1CCS(=O)(=O)[C@@H](CCNC(=O)c2nc(C)c[nH]2)C1 1230509351 YXAODFRLRNBTDN-LBPRGKRZSA-N 324.406 -0.430 30 20 DBED N#CCN1CCN(C(=O)c2ccc(CS(N)(=O)=O)cc2)CC1 1252320613 ZZVWJKJBRVKHNL-UHFFFAOYSA-N 322.390 -0.244 30 20 DBED C=CCn1c([C@H](O)COC)nnc1N1CCN(C(C)=O)CC1 1262997376 CLNOUEGEPRJEED-GFCCVEGCSA-N 309.370 -0.188 30 20 DBED O=C(NCCN/C(O)=C1/N=CC=CC1=O)N[C@@H](CCO)C1CC1 1318799636 NHKLLFDYBWRMPD-IVPXEPLCSA-N 322.365 -0.027 30 20 DBED C=CCOC[C@H](NC(=O)c1ccoc1CC(N)=O)C(=O)OC 1321950609 SYPXCDKXKXAXFC-JTQLQIEISA-N 310.306 -0.219 30 20 DBED CN(C[C@@H]1CCC[C@H]1O)C(=O)C(=O)NC1CCN(CC#N)CC1 1322621526 IPUOVPRFIHCGJW-GXTWGEPZSA-N 322.409 -0.290 30 20 DBED C#C[C@@H](NC(=O)C(=O)NCCOC(F)(F)F)[C@H]1CCCO1 1323495687 OCSSFUKMRFIENS-RKDXNWHRSA-N 308.256 -0.064 30 20 DBED COCCN1CC[C@@H](NC(=O)C(=O)N2CCC(CC#N)CC2)C1 1326491573 KUHNGGFOSDAUAI-CQSZACIVSA-N 322.409 -0.024 30 20 DBED COCCn1cc(C(=O)N[C@@H]2CCCN(O)C2=O)c(=O)cc1C 1326767819 MOMRXPBHBVGQCM-GFCCVEGCSA-N 323.349 -0.087 30 20 DBED Cc1cc(NC(=O)C(=O)N[C@@H](C)C(=O)NCCF)ncc1C#N 1327618604 FOOSWQIBWHFFMN-VIFPVBQESA-N 321.312 -0.209 30 20 DBED CN1CCN(C)[C@H](CNC(=O)C(=O)N2CCC[C@H](CC#N)C2)C1 1328920728 IIONAASQPAKXMA-ZIAGYGMSSA-N 321.425 -0.499 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CCO[C@H](C)[C@H]2C)nn1 1329222487 LYADPFXJUCLHFF-GHMZBOCLSA-N 307.354 -0.284 30 20 DBED CN[C@H]1CCCN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1 1329382955 MMALEECOQYXJMA-GXTWGEPZSA-N 319.409 -0.604 30 20 DBED N#CCn1cc(NC(=O)C(=O)N2CC[C@@]3(CCOC3)C2)cn1 1334541200 ZTKQOMUJBCEJIQ-CQSZACIVSA-N 303.322 -0.016 30 20 DBED C#CCN(C(=O)C(=O)N1C[C@H](C)O[C@H](C(=O)OC)C1)C(C)C 1336497075 STQKKBRIQXLUJV-RYUDHWBXSA-N 310.350 -0.355 30 20 DBED C=CCNC(=O)CNC(=O)CNC(=O)c1cc(Cl)ccn1 1337327734 PHWPVFMVMRMYLN-UHFFFAOYSA-N 310.741 -0.117 30 20 DBED C=CCn1c(C[C@@H](C)O)nnc1N1CCN2CCOC[C@H]2C1 1340326275 PDFZVSOIMYJRRX-CHWSQXEVSA-N 307.398 -0.092 30 20 DBED C=CCn1c([C@@H]2CNC(=O)C2)nnc1N(C)CCNC(C)=O 1341316745 TZXKYSRVSACOKS-NSHDSACASA-N 306.370 -0.360 30 20 DBED CC(C)(C)OCC(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1 1341901667 CDFGETUNXYBAFY-SNVBAGLBSA-N 316.379 -0.233 30 20 DBED N#CCOc1ccccc1C(=O)N1CCN(CC(N)=O)C(=O)C1 1363020977 VEWFZERSSJGUIV-UHFFFAOYSA-N 316.317 -0.641 30 20 DBED N#Cc1cccc(CNC(=O)N2CCN(CC(N)=O)C(=O)C2)c1 1364195041 KDKAZVQTVTXNDZ-UHFFFAOYSA-N 315.333 -0.603 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CC[C@H](C(=O)N(C)C)C1 1364883313 TYEDCWJPMRRKMS-NSHDSACASA-N 302.400 -0.123 30 20 DBED C[C@H](C#N)C(=O)NC[C@]1(C)CCN(C(=O)C2(NC(N)=O)CC2)C1 1390271223 CYRNQPXQJYWPJJ-YGRLFVJLSA-N 321.381 -0.298 30 20 DBED C=C(Br)CNC[C@H](O)CNC(=O)Cc1cc[nH]n1 1392361518 BTAAXBMFPMEOGZ-JTQLQIEISA-N 317.187 -0.073 30 20 DBED C[C@H](C#N)C(=O)N1CCN(CCN(C)C(=O)[C@@H]2CCCO2)CC1 1408977922 UDPIMGPWVZURCC-KGLIPLIRSA-N 322.409 -0.072 30 20 DBED COCC(=O)NCCC(=O)N[C@@H](C)C1CN(C(=O)[C@H](C)C#N)C1 1411963583 VISMAAFBYMFWDO-MNOVXSKESA-N 324.381 -0.738 30 20 DBED CCN(CCNC(=O)[C@@H]1CCC(=O)N1)C(=O)c1c[nH]c(C#N)c1 1415699202 SKIUVTMBQWPQFE-LBPRGKRZSA-N 317.349 -0.257 30 20 DBED C[C@H](C#N)C(=O)NCC1CN(C(=O)CN(C)C(=O)C2CC2)C1 1416118506 FDPHYSPPOBLTES-SNVBAGLBSA-N 306.366 -0.411 30 20 DBED CCOC[C@@H]1CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)C1 1417664254 PUWYXSACYJLMHX-SNVBAGLBSA-N 306.322 -0.294 30 20 DBED CNC(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)[C@H](C)CC#N)C1 1424661286 DGEBSPCBBBPITI-GHMZBOCLSA-N 317.415 -0.141 30 20 DBED C[C@H](C#N)C(=O)N(C)CCN(C)C(=O)c1ccc(=O)n(C)n1 1433236353 QKLOONKTNCOMDZ-SNVBAGLBSA-N 305.338 -0.530 30 20 DBED CCn1nc(C(=O)N2CC(CNC(=O)[C@@H](C)C#N)C2)ccc1=O 1450718101 ZBTQOWAZUQJASD-JTQLQIEISA-N 317.349 -0.389 30 20 DBED Cc1cc(CNC(=O)CCn2cc(C#N)c(O)nc2=O)n(C)n1 1467815665 BFEQWFNQVJKQDH-UHFFFAOYSA-N 316.321 -0.431 30 20 DBED C[C@@H](CN(C)C(=O)c1cc(C#N)c[nH]1)NC(=O)[C@@H]1CCC(=O)N1 1487743112 LDAJLWKYVXESHN-ONGXEEELSA-N 317.349 -0.258 30 20 DBED C=CCNC(=O)[C@H](C)N1CCC2(CN(C(=O)CNC(=O)O)C2)C1 1573368085 HXELBKADIWFETO-NSHDSACASA-N 324.381 -0.521 30 20 DBED C#CCCN1CC[C@H](NC(=O)CCCc2cnn[nH]2)[C@H](O)C1 1574883464 XLECXAXLUJPHKJ-UONOGXRCSA-N 305.382 -0.298 30 20 DBED N#Cc1nc(N[C@H](CO)[C@@H]2CCCOC2)cnc1-c1nn[nH]n1 1581880831 WTIFBPOCSJCINU-PSASIEDQSA-N 316.325 -0.272 30 20 DBED C=CCCCS(=O)(=O)N1CCC[C@H]1C(=O)NCC(=O)O 1588803971 QJCXGUCIWLNDMP-JTQLQIEISA-N 304.368 -0.052 30 20 DBED CSc1nc(O)c(C(=O)NC[C@@](C)(O)C(=O)O)cc1C#N 1594189109 PMJXQKWVJLZXJZ-GFCCVEGCSA-N 311.319 -0.054 30 20 DBED CN1C[C@@H](C(=O)O)N(S(=O)(=O)CC2(CC#N)CC2)CC1=O 1598566504 WTVLADYZJVDYJG-VIFPVBQESA-N 315.351 -0.763 30 20 DBED N#CC[C@H]1CCCN(C(=O)C(=O)N2CCO[C@@H](CC(=O)O)C2)C1 1601063432 VLYJIJQDSQBVAA-NEPJUHHUSA-N 323.349 -0.159 30 20 DBED C=CC[C@H](C(=O)O)N1CCCN(S(=O)(=O)N(C)C)CC1 1602836005 YXXDKGPLGWMNNA-LLVKDONJSA-N 305.400 -0.170 30 20 DBED COc1ccc(S(=O)(=O)O[C@H]2CNOC2)c(CC(=O)O)c1 1607290000 RQVMMXYNYCAYBA-JTQLQIEISA-N 317.319 -0.069 30 20 DBED N#CCSCC(=O)NCC1(NC(=O)[C@H]2C[C@@H]2C(=O)O)CC1 1608186715 FHGRJWNEHDEIOM-IUCAKERBSA-N 311.363 -0.271 30 20 DBED N#C[C@H]1CN(C(=O)c2ccc(CS(N)(=O)=O)cc2)CCO1 1645549159 JTRYGQKHDASHAR-LBPRGKRZSA-N 309.347 -0.160 30 20 DBED C=C(Cl)Cn1nnnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1646410700 NJFGRQTVIIZYLT-VIFPVBQESA-N 320.806 -0.104 30 20 DBED CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)c1ncncc1C#N 1647235497 JDBGTTDYMBADII-JTQLQIEISA-N 309.351 -0.912 30 20 DBED CNC(=O)[C@@H](CO)NC[C@H](O)COc1ccc(CC#N)cc1 1649849757 MDTKMTLLMFFJNU-GXTWGEPZSA-N 307.350 -0.811 30 20 DBED C#CCO[C@H](C)C(=O)NCCCN1CCN(C[C@H](C)O)CC1 1752344115 WLEUISIXSZRVHV-LSDHHAIUSA-N 311.426 -0.471 30 20 DBED C=CCNC(=O)CN[C@@H](C)CNC(=O)c1ccc(C(N)=O)o1 1752887319 VNQMBBKVRBVWJM-VIFPVBQESA-N 308.338 -0.611 30 20 DBED Cc1ncc(CC(=O)NC[C@H]2CCCN2CC(=O)NCC#N)o1 1753107054 XGOXPPWZPGBRSB-GFCCVEGCSA-N 319.365 -0.254 30 20 DBED C#CCNC(=O)CN(CCC)CCNC(=O)[C@@H]1CCC(=O)N1C 1753147292 YWFNMCLGVODQSH-ZDUSSCGKSA-N 322.409 -0.815 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](CN(C)CCN2C(=O)CNC2=O)C1 1753345225 GMFSHTNOKIKDQS-NEPJUHHUSA-N 321.381 -0.522 30 20 DBED C#CCN1CCN(CCN(C)C(=O)CS(=O)(=O)CC)CC1 1753347243 WSTXKUALGMZIPG-UHFFFAOYSA-N 315.439 -0.870 30 20 DBED N#CCNC(=O)CN1CC(NC(=O)c2cc3cnccc3[nH]2)C1 1753380499 JNHGYKBKMWECDX-UHFFFAOYSA-N 312.333 -0.383 30 20 DBED C=CCOCCN1CC(CNC(=O)c2nnc(O)nc2O)C1 1753406252 NTUDKIFRQPSEFO-UHFFFAOYSA-N 309.326 -0.853 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC(CNC(=O)[C@H]2CCC(=O)NC2)C1 1753406321 QKMRBEJHLZRLQN-YPMHNXCESA-N 322.409 -0.749 30 20 DBED C=CCN1CC[C@H](N[C@@H](CC)CNC(=O)c2cnon2)C1=O 1753491368 RXWCMZBSGSGTMX-QWRGUYRKSA-N 307.354 -0.046 30 20 DBED C=CCN1CC[C@@H](NC[C@H](C)N(C)C(=O)c2ncn(C)n2)C1=O 1753689857 NMBLOVAQLQUSSP-NWDGAFQWSA-N 320.397 -0.348 30 20 DBED C#CCNC(=O)[C@@H](C)NCC[C@@H](C)NC(=O)Cc1ccon1 1753951880 LEVDTCZKEDPWAJ-VXGBXAGGSA-N 306.366 -0.161 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)CCN(C)C)C[C@@H]1CC 1754470680 PCTPVWUNSJHEGI-GJZGRUSLSA-N 322.453 -0.096 30 20 DBED C#CCNC(=O)CNC1(CNC(=O)c2ccc(F)nc2)CC1 1754510912 OSBKMGNKBJRYKP-UHFFFAOYSA-N 304.325 -0.178 30 20 DBED C=CCNC(=O)CN1CC[C@@](C)(NC(=O)c2[nH]c(O)nc2C)C1 1754675302 MNFAWZDAAZLLCW-OAHLLOKOSA-N 321.381 -0.080 30 20 DBED N#CCNC1(CNC(=O)c2ccc3nn[nH]c3n2)CCOCC1 1754737440 MQJBNONFQREXJH-UHFFFAOYSA-N 315.337 -0.255 30 20 DBED C=CCOCCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CNC(=O)N1 1754868561 OYCQGTCOYXDTSP-MGPQQGTHSA-N 322.409 -0.064 30 20 DBED N#CCNC(=O)CNC[C@H]1CC[C@H](NC(=O)[C@@H]2CCOC2)CC1 1754949554 IXEZIPDIHCEIDJ-MGPQQGTHSA-N 322.409 -0.073 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)CCCCNC(N)=O)CO2)C1 1755063936 RLNOXLHUJDSIGO-GFCCVEGCSA-N 308.382 -0.582 30 20 DBED CC(C)OCC(=O)N1CCC[C@H]1CN(C)CC(=O)NCC#N 1755188945 FUQUXUFZFYXPDT-ZDUSSCGKSA-N 310.398 -0.026 30 20 DBED CC(C)C#CC(=O)NC[C@@H](CO)NCC(=O)NC1CCCC1 1755628233 RFKQSJXJZKPSBF-AWEZNQCLSA-N 309.410 -0.229 30 20 DBED C#CCNC(=O)CNC[C@H]1CC[C@H](NC(=O)Cc2cnc[nH]2)C1 1755741382 IFRZMQLPRLMNJE-STQMWFEESA-N 317.393 -0.424 30 20 DBED CN(C[C@@H](O)CNCC(=O)NCC#N)C(=O)[C@H]1CC12CCCC2 1755790799 DHSCHMUXMUYAIZ-QWHCGFSZSA-N 322.409 -0.385 30 20 DBED CC#CCN(CCNC(=O)[C@@]1(C)CCC(=O)NC1)CCOC 1755841120 XHMLVBGPWFXRSJ-INIZCTEOSA-N 309.410 -0.009 30 20 DBED C#CCNC(=O)CC(=O)N(C)[C@@H](C)CNC(=O)c1cncs1 1756005964 NUANJZLPAMJDHX-JTQLQIEISA-N 322.390 -0.141 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H](C)CNC(=O)CCCCNC(N)=O 1756044075 FFEXAGWGFAQKCS-WDEREUQCSA-N 311.386 -0.052 30 20 DBED C=CCCO[C@H](C)C(=O)NC[C@H]1[C@@H]2CN(C(=O)CC(N)=O)C[C@H]12 1756191956 GJRKKPRMZBVWQL-LPWJVIDDSA-N 323.393 -0.336 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@H]1[C@@H]2CN(C(=O)CNC(C)=O)C[C@H]12 1756199891 KKQAVJVICPRAFI-NFFDBFGFSA-N 323.393 -0.730 30 20 DBED C[C@@H](CCCNC(=O)c1ccc(=O)n(C)n1)NC(=O)[C@H](C)C#N 1756341409 IQQBAJKPCGUQOP-MNOVXSKESA-N 319.365 -0.045 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H](CO)CNC(=O)c1ncccc1C 1756511326 YNWOJYOFDVLRIT-QWHCGFSZSA-N 319.361 -0.365 30 20 DBED C=CCOCC(=O)N1C[C@H]2CCN(C(=O)c3nc[nH]n3)C[C@H]21 1757220432 CCJIMBKMLWKEOD-GHMZBOCLSA-N 305.338 -0.320 30 20 DBED C=CCCOCC(=O)N1CC[C@H]1CN(C)C(=O)[C@@H]1CNC(=O)N1 1757302848 ZCIHDBMLQYWXSL-RYUDHWBXSA-N 324.381 -0.680 30 20 DBED CC[C@@H]1[C@@H](NC(=O)CC(N)=O)CCN1C(=O)c1cc(C#N)c[nH]1 1757437405 ORMXQYAIOVPGDC-CMPLNLGQSA-N 317.349 -0.129 30 20 DBED N#CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccnnc1)C2 1795078025 KGAALDTXMQQMDX-DABQJJPHSA-N 315.333 -0.407 30 20 DBED CC[C@@H](NC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC#N)C2 1795721931 WBJLHJUQCAHKHV-GFQSEFKGSA-N 308.382 -0.512 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccnn1 1798059351 NELFNFZZTIDXMI-GNXNZQSNSA-N 300.318 -0.687 30 20 DBED CO[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C#CC(=O)O)C2 1802391699 RUAZVOZLNYCDCE-YFKTTZPYSA-N 308.334 -0.253 30 20 DBED N#CC1(C(=O)N2CC3(CCCN3C(=O)c3nc[nH]n3)C2)CC1 1843188821 OTOADMRDCNKBQO-UHFFFAOYSA-N 300.322 -0.075 30 20 DBED CN(C)C(=O)C(=O)N1CC2(CCCN2C(=O)C2(C#N)CCC2)C1 1846975973 RNZTVJYFXXEABO-UHFFFAOYSA-N 318.377 -0.028 30 20 DBED C#CCN1CCC(C(=O)N(C2CC2)[C@@H]2CC(=O)NC2=O)CC1 171035846 NZJKGXGLQRZNMZ-CYBMUJFWSA-N 303.362 -0.262 30 20 DBED C[C@@H](NS(=O)(=O)c1cccnc1C#N)C(=O)NCCF 282514417 ZXENYAYQEQHVHV-MRVPVSSYSA-N 300.315 -0.294 30 20 DBED CCN1CCC[C@@H]1CN/C(N)=N/C[C@@H]1CCCS1(=O)=O 305065822 IQVWRWHJPALPMC-NEPJUHHUSA-N 302.444 -0.048 30 20 DBED CN(CC(=O)N1CCOCC1)/C(O)=N/[C@@H]1CCc2nc[nH]c2C1 329724539 FYQCNVYMPLNBQB-LLVKDONJSA-N 321.381 -0.028 30 20 DBED O=S(=O)(CC/N=C(/O)N1CC(F)C1)N1CCSCC1 329728374 FNUDUTXJLKCHDV-UHFFFAOYSA-N 311.404 -0.067 30 20 DBED CCN1CCCN(/C(O)=N/[C@@H]2CCS(=O)(=O)C2)CC1=O 329863308 RTNSDFKGSCQBDT-SNVBAGLBSA-N 303.384 -0.358 30 20 DBED CN1CCN(C)[C@H](C/N=C(/O)N2CCO[C@@]3(CCOC3)C2)C1 329873954 CNPQJLUXPJIXGC-HIFRSBDPSA-N 312.414 -0.363 30 20 DBED Cn1ccnc(NC[C@@H]2CN(/C(O)=N/CC3CC3)CCO2)c1=O 330116383 VIJKFXCAHXVRHE-GFCCVEGCSA-N 321.381 0.217 30 20 DBED CC(=O)N1CCC[C@H](CNc2c(C#N)c(=O)n(C)c(=O)n2C)C1 330167932 WCWQDEBBEGKVAA-LLVKDONJSA-N 319.365 -0.374 30 20 DBED N#CCCCS(=O)(=O)N1CCC[C@@](O)(Cn2ccnn2)C1 330508915 GZYCXQVKXSIZBJ-GFCCVEGCSA-N 313.383 -0.261 30 20 DBED CC[C@H]1CN(C(=O)Cn2cnc(C#N)n2)CCN1CCOC 331128991 FSFVCIRTZIRCSA-LBPRGKRZSA-N 306.370 -0.281 30 20 DBED CNC(=O)[C@@H]1CCC[C@@H]1NS(=O)(=O)N(C)C[C@@H](C)C#N 336902616 XSOODGCKIZLPNY-AXFHLTTASA-N 302.400 -0.173 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N1C[C@H](C)O[C@@H](C(N)=O)C1 336955370 YJPFYAKSPYUTIA-OUAUKWLOSA-N 318.399 -0.713 30 20 DBED CC(C)(O)CN(C1CC1)S(=O)(=O)N1CCO[C@@H](C#N)C1 337163713 XAEZTIABKHPAHD-NSHDSACASA-N 303.384 -0.309 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC[C@@H](S(N)(=O)=O)C1 337772853 OVZPNMCIZQRMPP-VHSXEESVSA-N 324.428 -0.782 30 20 DBED C=CCCOCCNC(=O)C(=O)N1CCN(CC)C(=O)[C@@H]1C 341990674 BERXUGNVDQQSSW-LBPRGKRZSA-N 311.382 -0.226 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)Cn2cc(C(=O)OC)nn2)C1=O 343775574 GVAZYWASDZPSAM-LLVKDONJSA-N 321.337 -0.690 30 20 DBED CC[C@H](C#N)NC(=O)Cn1ccc2c(=O)n(C)c(=O)n(C)c21 345149079 MCAQCNPYOSKJKD-SECBINFHSA-N 303.322 -0.543 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)NC[C@@H]1CN2CCC[C@H]2CO1 374547578 CCBPLUPHIYNURN-FRRDWIJNSA-N 316.427 -0.082 30 20 DBED COC(=O)Cn1cc(CNC(=O)NCC2(CC#N)CC2)nn1 430915912 FOTRSPOIAOLSEE-UHFFFAOYSA-N 306.326 -0.056 30 20 DBED C#C[C@@H](C)N(C)C(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 491734570 LJTYYQQFBHDBOD-KGLIPLIRSA-N 307.394 -0.353 30 20 DBED COC[C@H](C#N)OC(=O)CNC(=O)CNC(=O)OC(C)(C)C 495155998 OYGSLRHIVMIFFA-VIFPVBQESA-N 315.326 -0.291 30 20 DBED CN(C)C[C@](C)(C#N)NC(=O)CN1C(=O)NC2(CCCC2)C1=O 521239907 IMFUZUGFUIALQA-AWEZNQCLSA-N 321.381 -0.189 30 20 DBED CCOC[C@@H](NS(=O)(=O)N(CC)C[C@H](C)C#N)C(=O)O 568001021 JGAGZQOJOYSYGT-NXEZZACHSA-N 307.372 -0.208 30 20 DBED COC(=O)[C@@H]1C[C@@H](O)CN1C[C@H](O)COc1ccccc1C#N 599286713 KGZVGPMGPUOOEL-RDBSUJKOSA-N 320.345 -0.094 30 20 DBED COCCN1CCN(C(=O)NC2CCN(CC#N)CC2)CC1 609340461 WHSLXDOHFFEOGZ-UHFFFAOYSA-N 309.414 -0.052 30 20 DBED CC(C)(CNS(=O)(=O)CC1(C#N)CC1)NS(C)(=O)=O 613265752 OSTVYQBIDXCTKP-UHFFFAOYSA-N 309.413 -0.463 30 20 DBED CCn1c(N)c(C(=O)CN2CC[C@](O)(CC#N)C2)c(O)nc1=O 646030564 RMQSLQYDWNFAQG-CQSZACIVSA-N 321.337 -0.916 30 20 DBED CNC(=O)CNC(=S)NN=C1C(=O)Nc2cc(F)ccc21 731927846 VSROAHZWYIGGFV-UHFFFAOYSA-N 309.326 -0.308 30 20 DBED C#CCOCCNC(=O)COc1ccc(S(N)(=O)=O)cc1 753521954 MHQJTUWZIJBGQG-UHFFFAOYSA-N 312.347 -0.521 30 20 DBED Cn1cc(C=NNC(=S)NCCCN2CCOCC2)nn1 755521739 SAQWFQKJQQIGEW-UHFFFAOYSA-N 311.415 -0.665 30 20 DBED C#CCOCCC(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 755837301 FIQNRKNIUCRDFY-CQSZACIVSA-N 307.394 -0.033 30 20 DBED C#CCNS(=O)(=O)N1CCN(Cc2ccc(OC)nc2)CC1 761030569 XWWBWQJYVAOUAM-UHFFFAOYSA-N 324.406 -0.325 30 20 DBED C#CCN1CCC[C@H]1C(=O)Nc1cc(C)n(CC(=O)NC)n1 767995946 VZSSGOXZVDDXOL-LBPRGKRZSA-N 303.366 -0.026 30 20 DBED N#CC1(CS(=O)(=O)NC(=O)COC[C@H]2CCCO2)CC1 793200463 BVTIPFSSAADHEX-SNVBAGLBSA-N 302.352 -0.068 30 20 DBED Cn1nnc(COC(=O)CNC(=O)c2ccc(C#N)cc2)n1 799483077 JXFCILYGTDURRU-UHFFFAOYSA-N 300.278 -0.445 30 20 DBED C#Cc1cncc(C(=O)N(CCO)CCN2CCOCC2)c1 807165753 KODJSEKGOQXGPL-UHFFFAOYSA-N 303.362 -0.170 30 20 DBED C#CCCS(=O)(=O)NCCNS(=O)(=O)c1cccnc1 808303035 QDRNMCUQWQAGAF-UHFFFAOYSA-N 317.392 -0.697 30 20 DBED C=C(Br)CNC(=O)C(=O)N[C@H](C)C[S@@](C)=O 809221353 DCWMQYRYEWEQEJ-VGDKGRGNSA-N 311.201 -0.106 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2ncccc2F)CC1 825975562 RLMSYDWUZONADK-UHFFFAOYSA-N 304.325 -0.272 30 20 DBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CNC(=O)O 826088196 WDFFVMUHSUFMPF-SECBINFHSA-N 304.310 -0.347 30 20 DBED C#CC1(O)CN(C(=O)NCc2cccc(OCC(=O)NC)c2)C1 892171840 RDFNZWQFPJZETD-UHFFFAOYSA-N 317.345 -0.299 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)COC)C1 936377587 MRQDGLOQKIGJIZ-KBPBESRZSA-N 307.394 -0.210 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@@H](NC(=O)Cn2cnnc2O)C1 940102571 ZWZCTOPZHTXUMQ-SNVBAGLBSA-N 307.354 -0.087 30 20 DBED C[C@@H]1CN(CC#N)CC[C@@H]1NC(=O)c1cc(=O)n2[nH]cnc2n1 944135639 OWCCLAJDWDEBCE-ZJUUUORDSA-N 315.337 -0.619 30 20 DBED Cc1nonc1C(=O)NC[C@H]1CN(C(=O)[C@@H](C)C#N)CCO1 944654610 PPCLOPVHVQZJPB-WPRPVWTQSA-N 307.310 -0.505 30 20 DBED C[C@H]1CN(C(=O)C#CC2CC2)CC[C@H]1NC(=O)Cn1ncnn1 945319517 VBYCEAFITQQOIH-WCQYABFASA-N 316.365 -0.560 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@H]3CN(C(=O)C(N)=O)CC[C@@H]32)[nH]1 946025031 LYLGCVJVRXAULC-CABZTGNLSA-N 315.333 -0.565 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@H]2COCCO2)C1 955364130 WMNHFCAAYDQYOO-RDBSUJKOSA-N 324.377 -0.338 30 20 DBED C#CCCN1C[C@H](O)[C@H](CNC(=O)c2cc3n(n2)CCC3)C1 958125797 CFCYOIQEDJKXLH-DOMZBBRYSA-N 302.378 -0.125 30 20 DBED N#CCN1C[C@@H](O)[C@@H](CNC(=O)c2ccnc3ccnn23)C1 958136172 ZKOWAQNFEKPNHL-CMPLNLGQSA-N 300.322 -0.725 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cccnc2N(C)C)C1 958676245 DJURPMRVQXRNDB-GXTWGEPZSA-N 302.378 -0.197 30 20 DBED N#CCN1C[C@@H]2C(NC(=O)Cn3nc4ccccn4c3=O)[C@H]2C1 961410447 JLRFSWRWDWJVLC-QWRGUYRKSA-N 312.333 -0.934 30 20 DBED C#Cc1cncc(C(=O)NC2[C@@H]3CN([C@H]4CCN(C)C4=O)C[C@@H]23)c1 961723441 RFZNKKWMXISUJX-KFWWJZLASA-N 324.384 -0.046 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2[C@@H]3CN([C@@H](C)C(=O)NC)C[C@@H]32)nc1 962343349 OWDQKPGPDDBBGR-MUYACECFSA-N 312.373 -0.143 30 20 DBED C#Cc1ccc(C(=O)NC2[C@@H]3CN([C@H]4CCN(C)C4=O)C[C@@H]23)nc1 962343910 QYGCSINUOBUUNP-NFAWXSAZSA-N 324.384 -0.046 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2COCCN2C(=O)C(N)=O)cc1 964289367 LUDAABRZGMEKTF-ZDUSSCGKSA-N 315.329 -0.890 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CN(C(=O)c3ccnn3C)CCO2)C1 965325557 USGOMBVOVROHCC-LLVKDONJSA-N 317.349 -0.367 30 20 DBED C=CCN[C@@H]1CCN(C(=O)Cn2ncn3nccc3c2=O)C1 970159036 TVAYIIMDUHSCKT-LLVKDONJSA-N 302.338 -0.733 30 20 DBED CN(CC#N)[C@H]1CCN(C(=O)c2cn([C@@H]3CCOC3)nn2)C1 972692311 ZPLRFENKAZQOJI-NWDGAFQWSA-N 304.354 -0.091 30 20 DBED C=CCN1CCO[C@]2(CCN(C(=O)C[C@H]3CC(=O)NC3=O)C2)C1 972705127 QODQYVBWEVBIAT-MLGOLLRUSA-N 321.377 -0.472 30 20 DBED COc1nccc(C(=O)N[C@H]2[C@@H]3CN(C(=O)[C@H](C)C#N)C[C@@H]32)n1 976903240 DADNRAUPGNCHBX-SVDPJWKOSA-N 315.333 -0.169 30 20 DBED C=CCn1cc(C(=O)N(C)C[C@@H]2CCN2C(=O)CC(N)=O)nn1 977728094 AZZIWANSCKJXIU-JTQLQIEISA-N 320.353 -0.988 30 20 DBED N#CCN1CCCN(C(=O)CCc2nnc(O)nc2O)CC1 981534865 LBHIDFIUUJWPBQ-UHFFFAOYSA-N 306.326 -0.727 30 20 DBED NC(=O)C(=O)N1C[C@H]2CC[C@H]1[C@H]1CN(C(=O)C#CC3CC3)C[C@H]21 984252400 NVUQCOHXQUZILN-MQYQWHSLSA-N 315.373 -0.420 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](CN(C)C(=O)c2nnn(C)n2)C1 988290557 CDXHTJSPHODJJG-ZJUUUORDSA-N 305.342 -0.710 30 20 DBED C[C@@H]1C[C@@H](NCC#N)CN1C(=O)c1ccc(-n2cnnn2)cn1 989225331 MVNROUGQFHXNNS-GHMZBOCLSA-N 312.337 -0.227 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)c2ccc(=O)n(C)n2)[C@H]1C 990265810 LWJDYFUUOHWXGW-AXFHLTTASA-N 317.349 -0.341 30 20 DBED N#Cc1ccc(C(=O)N2CC(NC(=O)[C@H]3CCNC(=O)C3)C2)[nH]1 990799126 TWWSZDTZIWEHEV-VIFPVBQESA-N 315.333 -0.647 30 20 DBED N#CCN1CC[C@]2(NC(=O)CN3CCOCC3=O)CCC[C@@H]12 991067767 MXJWFYQQHQHEGC-IUODEOHRSA-N 306.366 -0.518 30 20 DBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CN(C(=O)CC(N)=O)C1 991976374 BCKXGLHQNCQNAI-FZMZJTMJSA-N 309.366 -0.440 30 20 DBED N#CCN[C@@H]1CCC[C@@H]2CN(C(=O)CN3C(=O)CNC3=O)C[C@@H]21 992903748 RXUXMZCPNFUKIR-GRYCIOLGSA-N 319.365 -0.722 30 20 DBED C#CCN1CCC[C@@H](N(CC)C(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 998134434 JLMSIVWCVPVXEB-OLZOCXBDSA-N 320.393 -0.079 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCC1CN(C(=O)[C@H]2CCC(=O)N2)C1 1004521991 TWNJPKLJDTXRCB-UPJWGTAASA-N 321.377 -0.569 30 20 DBED C=C[C@@](C)(CC)C(=O)N1CCO[C@@]2(CCN(C(=O)C(N)=O)C2)C1 1007715256 OYTAFJFVNGHFLF-JKSUJKDBSA-N 323.393 -0.096 30 20 DBED C#CCN1CCC(C(=O)N[C@@H]2CCCN([C@@H](C)C(N)=O)C2)CC1 1009625598 FRIDTNMUACQTEY-DZGCQCFKSA-N 320.437 -0.214 30 20 DBED C=C(Br)CN1CC[C@H](NC(=O)Cn2cnnn2)C1 1010094411 KEVDJHSPDMMIAS-VIFPVBQESA-N 315.175 -0.228 30 20 DBED C#Cc1cncc(C(=O)NC[C@H]2C[C@@H](C)N(C(=O)C(N)=O)C2)c1 1010294901 KIUKPZQQJDIBBJ-ZYHUDNBSSA-N 314.345 -0.485 30 20 DBED CN1CC[C@H](CC(=O)N2CCN(C(=O)C#CC3CC3)CC2)C1=O 1011110100 LYLQUEHGLVIXAL-CQSZACIVSA-N 317.389 -0.061 30 20 DBED CCn1cc(CC(=O)N2CCN(C(=O)[C@H](C)C#N)CC2)nn1 1011974110 YSBOOBGRSCCZAX-LLVKDONJSA-N 304.354 -0.329 30 20 DBED C[C@@H]1C[C@H](NC(=O)Cn2nccn2)CN1C(=O)C#CC1CC1 1012589293 WQSNXYNHEUXDLL-YPMHNXCESA-N 301.350 -0.203 30 20 DBED C=CCN1CC[C@@H](N2CC[C@@H](NC(=O)c3cnn[nH]3)C2)C1=O 1015064681 AVFDRUKWQDRWTM-ZYHUDNBSSA-N 304.354 -0.604 30 20 DBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CC(N(C)C(=O)C(N)=O)C1 1016951102 VZVHPYVYJLHDAE-TYUFSLCMSA-N 323.393 -0.051 30 20 DBED C#Cc1cncc(C(=O)N2C[C@@H](NC(=O)C(N)=O)CC[C@H]2C)c1 1018377408 YLFWXPOPJLGCDQ-MFKMUULPSA-N 314.345 -0.343 30 20 DBED COCC(=O)N1CCCO[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 1019559308 GZRGIMRUQLQTCY-LBPRGKRZSA-N 320.349 -0.120 30 20 DBED C=CCN[C@H]1C[C@H](NC(=O)CN2CCCCS2(=O)=O)C1 1020398165 UKPXZYMFMWTTAY-HAQNSBGRSA-N 301.412 -0.165 30 20 DBED C#CCN1CCC[C@@H](CNC(=O)c2cn(C)c(=O)nc2O)C1 1023742077 BODAVDZGKHOQNO-NSHDSACASA-N 304.350 -0.439 30 20 DBED C=CCCN1CCC[C@H](CNC(=O)c2cn(CC(N)=O)nn2)C1 1023763344 JVZCCGMJVLTLJF-GFCCVEGCSA-N 320.397 -0.219 30 20 DBED C=CCN1CCC[C@@H]([C@H](C)NC(=O)c2cn(CC(N)=O)nn2)C1 1025629948 NGAQCGWPDLVMBX-NWDGAFQWSA-N 320.397 -0.220 30 20 DBED Cc1ccn(CC(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2O)n1 1025701894 OCQMJQMSCAHVNW-MVWJERBFSA-N 305.338 -0.961 30 20 DBED CN(CC#N)[C@H]1CCCN(C(=O)CCc2nnc(O)nc2O)C1 1027479067 XOCLZGBOAVHXGR-JTQLQIEISA-N 320.353 -0.338 30 20 DBED Cn1nnc(CN2CC[C@H](CNC(=O)c3cc(C#N)c[nH]3)C2)n1 1028470319 HNRHRGNHSZVHGC-SNVBAGLBSA-N 314.353 -0.338 30 20 DBED C#CCCN1CC(CNC(=O)c2ccc(=O)n(CCOC)n2)C1 1031830268 UEDWLWPWDZDFHU-UHFFFAOYSA-N 318.377 -0.425 30 20 DBED CC#CCN1CC(CNC(=O)[C@H]2C[C@H](OC)CN2C(C)=O)C1 1031878347 ZMGZTEOLGXMEQF-LSDHHAIUSA-N 307.394 -0.307 30 20 DBED Cn1[nH]c(CNC[C@H]2CCCN2C(=O)C#CC2CC2)nc1=O 1034935322 LHUQHJNIZBNWQS-GFCCVEGCSA-N 303.366 -0.398 30 20 DBED N#CCN1CCO[C@H](CNC(=O)c2cnc3[nH]nnc3c2)C1 1035399781 WNHAPQOAVLOHKJ-SNVBAGLBSA-N 301.310 -0.693 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)CN3CCOCC3=O)CC[C@H]21 1036738234 DDPJHSOMFQMESJ-ZIAGYGMSSA-N 305.378 -0.599 30 20 DBED C=C(C)CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)CN1CCNC(=O)C1 1037538056 DJDKQSCFDLDKHJ-WWGRRREGSA-N 306.410 -0.427 30 20 DBED C#CCN[C@H]1CCN(C(=O)CN2CCOCC2=O)C[C@H]1CC 1037860279 SJADVCOTOFKLAC-KGLIPLIRSA-N 307.394 -0.305 30 20 DBED CN1CC[C@H](N2CC[C@H]2CNC(=O)c2c[nH]c(C#N)c2)C1=O 1038169861 WRBTWJAAFRRWCR-STQMWFEESA-N 301.350 -0.079 30 20 DBED C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CN1C(=O)CNC1=O 1039467569 QJJFKIMTBNXEPB-NEPJUHHUSA-N 304.350 -0.763 30 20 DBED C#CCCCC(=O)NC[C@]1(O)CCN(C(=O)Cn2ccnc2)C1 1039580440 URDVAKJHAQQRPH-MRXNPFEDSA-N 318.377 -0.234 30 20 DBED CC#CCN1[C@H]2CCC[C@H]1CN(C(=O)CN1CC(=O)NC1=O)C2 1039946284 LXJXNASIKUTKDL-STQMWFEESA-N 318.377 -0.373 30 20 DBED Cc1cc(C(=O)N[C@@H]2CN(c3nccnc3C#N)C[C@H]2O)no1 1040897746 CXLPXWXGOUXHJU-VXGBXAGGSA-N 314.305 -0.376 30 20 DBED CC#CCN1CC[C@]2(CCN(C(=O)CN3CCNC(=O)C3)C2)C1 1041539432 HAQHIFJYIXUJJP-KRWDZBQOSA-N 318.421 -0.634 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)CSCC#N)C1 1042039868 KGYFFPKCMFMICN-UHFFFAOYSA-N 313.379 -0.865 30 20 DBED C#CCCCCC(=O)NCC1(O)CN(C(=O)c2ncccn2)C1 1042658716 OXTXYVUTILUKKX-UHFFFAOYSA-N 316.361 -0.027 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)c2occc2C)C1 1043036096 IWOCOMLTTFLHIA-GFCCVEGCSA-N 320.345 -0.071 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)[C@@H]2CCCCO2)C1 1043039945 KVYKYMYDTYGGTN-OLZOCXBDSA-N 324.377 -0.717 30 20 DBED CN(C(=O)[C@@H]1CC[C@H](C(=O)N2CCCC2)O1)C1CN(CC#N)C1 1043852012 NBXQLTPDOXHEOW-UONOGXRCSA-N 320.393 -0.177 30 20 DBED C=CCn1cc(C(=O)N(C)C2CN([C@@H](C)C(=O)NC)C2)nn1 1044022041 BNUBWLNWCKKVFO-JTQLQIEISA-N 306.370 -0.645 30 20 DBED N#CCN1CCC2(CC1)CO[C@H](CNC(=O)[C@H]1COCCO1)C2 1045660284 INGUKPHPULZZGL-UONOGXRCSA-N 323.393 -0.087 30 20 DBED C#CCN1CC[C@@H](N2CCN(C(=O)[C@@H]3COCCO3)CC2)C1 1046006265 IICHBSAKMGMVLJ-CABCVRRESA-N 307.394 -0.747 30 20 DBED N#Cc1c[nH]c(C(=O)N2CCN([C@H]3CCN(CCO)C3)CC2)c1 1046017470 MTDPNUYPTIVXIG-AWEZNQCLSA-N 317.393 -0.289 30 20 DBED C#CCN1CC[C@@](C)(NC(=O)[C@H]2CCc3nnc(O)n3C2)C1 1046432851 WZVHHESGOWXWNQ-XHDPSFHLSA-N 303.366 -0.240 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(O)(CNC(=O)c2ccnnc2)C1 1047120976 CIWJLCLZEDAIPA-CQSZACIVSA-N 320.349 -0.893 30 20 DBED C=C1CC(C)(C(=O)N(C)[C@H]2CN([C@H](C)C(=O)NC)C[C@@H]2O)C1 1047519942 YWEIWHFQXJOHDP-AGIUHOORSA-N 309.410 -0.019 30 20 DBED CC[C@H](OC)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C#CC2CC2)C1 1048821611 UMTMFKCUVSKUKF-IHRRRGAJSA-N 308.378 -0.145 30 20 DBED C#CCN1C[C@H]2CN(C(=O)[C@H]3CN4CCC[C@@H]4CO3)C[C@H]2C1 1048833363 NYIJJAHPIONJTJ-QKPAOTATSA-N 303.406 -0.127 30 20 DBED Cn1nc(C(=O)N2CCC[C@@H]3[C@@H]2CCN3CC#N)ccc1=O 1049882106 VCVKMLWZDRSANE-OLZOCXBDSA-N 301.350 -0.017 30 20 DBED C=CCN1CCOC[C@H]1CNC(=O)c1ccc2nn[nH]c2n1 1050946347 AQTXLRLDVHAECG-SNVBAGLBSA-N 302.338 -0.031 30 20 DBED CC(C)(C)n1cc(C(=O)NC[C@@H]2COCCN2CC#N)nn1 1050950061 UMJHKFKWIFSRMG-LLVKDONJSA-N 306.370 -0.013 30 20 DBED CC(C)(C)n1cnc(C(=O)NC[C@@H]2COCCN2CC#N)n1 1051110695 BKACELPYBVGYSO-LLVKDONJSA-N 306.370 -0.013 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)[C@@H]1CCCS(=O)(=O)C1 1051145037 FNFNUJNRXNPXCI-CHWSQXEVSA-N 314.407 -0.739 30 20 DBED N#Cc1nccc(N2CC[C@@H](NC(=O)c3cc[nH]n3)[C@@H](O)C2)n1 1051610308 ACYHTLJAGHSOAM-KOLCDFICSA-N 313.321 -0.559 30 20 DBED C#CCN1CC2(C1)CN(C(=O)CN1CCCCCC1=O)CCO2 1053527683 XGKKUILPMVVBOE-UHFFFAOYSA-N 319.405 -0.065 30 20 DBED C[C@@H]1OCCO[C@@H]1C(=O)NC[C@H]1CCC2(CN(CC#N)C2)O1 1053614063 QRSSKQDDWRZIAW-XQQFMLRXSA-N 309.366 -0.337 30 20 DBED C=CCN1CC2(C[C@@H](NC(=O)[C@@H]3COCCN3CC)CO2)C1 1053853553 ISDQCAJKLSFQTI-KGLIPLIRSA-N 309.410 -0.147 30 20 DBED C=CCN1CC2(C[C@H](NC(=O)[C@H]3CCS(=O)(=O)C3)CO2)C1 1053865058 QBAJUDXBNSMZPG-RYUDHWBXSA-N 314.407 -0.433 30 20 DBED C=C(Cl)CN1CC2(C[C@H](NC(=O)c3nnn(C)n3)CO2)C1 1053897228 NLEJSBZBDAKTDD-VIFPVBQESA-N 312.761 -0.464 30 20 DBED N#Cc1cnc(N2CCN(C(=O)[C@@H]3CCNC3=O)CC2)c(F)c1 1055973913 LGSXPDAKZFWWKJ-LLVKDONJSA-N 317.324 -0.123 30 20 DBED Cc1nn[nH]c1C(=O)NC1[C@H]2CN(c3nccnc3C#N)C[C@H]12 1056361707 CNDOIMDQGGORII-IUCAKERBSA-N 310.321 -0.361 30 20 DBED CN(c1ccnc(C#N)n1)[C@@H]1CCN(C(=O)Cn2cnnn2)C1 1056850164 UTZGLNPBVDEONN-SNVBAGLBSA-N 313.325 -0.928 30 20 DBED C#CCOCCC(=O)NCCN(CCO)C(=O)CCSC 1056911005 NZXVDHNVMKUXBD-UHFFFAOYSA-N 316.423 -0.284 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)c1ccc(C)nn1 1057193559 JEEYJILNFSXBAW-UHFFFAOYSA-N 322.365 -0.462 30 20 DBED O=C(C#CC1CC1)NCCN(CCO)C(=O)c1cncnc1 1057406077 AJRHOQRCWAMNFS-UHFFFAOYSA-N 302.334 -0.559 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)[C@@H]1CCN(C)C1=O 1057525443 TVHMKCMSRLUJBE-ZDUSSCGKSA-N 323.393 -0.939 30 20 DBED N#Cc1cnc(N2CCC(NC(=O)[C@H]3COC(=O)N3)CC2)cn1 1057864748 GYVCBUWSONLKJL-LLVKDONJSA-N 316.321 -0.458 30 20 DBED N#Cc1nccnc1N[C@H]1C[C@H](NC(=O)C[C@@H]2CCNC2=O)C1 1059324758 UKAPSSBRWLWZFM-DCAQKATOSA-N 314.349 -0.066 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@H](CCNC(=O)CC(N)=O)C2)c1 1059429544 DIWQLCYCBBRGCI-JTQLQIEISA-N 317.349 -0.270 30 20 DBED CN1CCC[C@H]1C(=O)N[C@H]1C[C@@H](N=c2cc[nH]c(C#N)n2)C1 1059586174 LMYDXENSJNUJII-TUAOUCFPSA-N 300.366 -0.077 30 20 DBED C#CCOCCC(=O)N1CCOC[C@H]1CNC(=O)C(F)F 1061177345 CJTUPGKTXPUJOA-SNVBAGLBSA-N 304.293 -0.365 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@H]1COCCN1C(=O)C(F)F 1061541536 AALXYAKITWYUNK-NOZJJQNGSA-N 306.309 -0.078 30 20 DBED C#CCNC(=O)CC(=O)N1CCCC[C@@H]1CNC(=O)COCC 1062140445 OTNNSVDHZXEZFO-CYBMUJFWSA-N 323.393 -0.340 30 20 DBED C=CCOCC(=O)NC1(CNC(=O)[C@@]2(C)CCNC2=O)CCC1 1064539777 KYDASMIOOQIPEW-HNNXBMFYSA-N 323.393 -0.130 30 20 DBED N#Cc1nccc(N2CCOC[C@@H]2CNC(=O)c2cnon2)n1 1066496812 IBDFTFLNNVMJHS-VIFPVBQESA-N 315.293 -0.634 30 20 DBED C[C@H]1CN(C(=O)Cn2cnnn2)C[C@H]1N=c1cc[nH]cc1C#N 1067042106 JWBKBNWOKDYXAX-GXFFZTMASA-N 312.337 -0.679 30 20 DBED N#Cc1ccc(N2C[C@H]3[C@H](CNC(=O)c4cnn[nH]4)[C@H]3C2)nn1 1068210063 PYHRLSAFKRCCLE-RTCCRHLQSA-N 310.321 -0.421 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H]1COC2(C1)CN(C(=O)CCOC)C2 1068867718 BUOOIQGSVVWPCM-CHWSQXEVSA-N 324.377 -0.453 30 20 DBED C=CC(C)(C)C(=O)N[C@H]1COC2(C1)CN(C(=O)CC(N)=O)C2 1068944601 JCUKPJRBTBFICN-SNVBAGLBSA-N 309.366 -0.440 30 20 DBED C=C(C)CN1CCn2ncc(CNC(=O)[C@H]3COC(=O)N3)c2C1 1069859436 UVYAAFGWBNBILD-GFCCVEGCSA-N 319.365 -0.001 30 20 DBED C=CCN[C@@H]1CN(C(=O)CO[C@H]2CCOC2)C[C@@H]1n1ccnn1 1070193501 BEUCXBCNHVVKNE-MJBXVCDLSA-N 321.381 -0.389 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCC[C@@H](NC(=O)Cn2nccn2)C1 1070672498 KQPSIRJUGMOUCG-IUODEOHRSA-N 321.381 -0.288 30 20 DBED N#CCN1C[C@H]2C[C@@H]3CN(C(=O)c4n[nH]cc4F)C[C@@]3(C1)O2 1070848646 UIZWEQLAVFXYKD-GPCCPHFNSA-N 305.313 -0.012 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)Cc2ccn(C)n2)CC1 1070963201 GPWAVTGHFOUILF-UHFFFAOYSA-N 317.393 -0.754 30 20 DBED C#CCN1C[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)CC[C@H]1C 1071862010 ULCZQAKUHGIBHT-VXGBXAGGSA-N 318.377 -0.700 30 20 DBED C#CCN1C[C@H](NC(=O)CN2C(=O)CN(C)C2=O)CC[C@@H]1C 1072054580 GKNZVXCHNKXVEB-NWDGAFQWSA-N 306.366 -0.517 30 20 DBED C=CCCOCC(=O)N1C[C@H](C)[C@H](NC(=O)Cn2nccn2)C1 1072335715 GGEHDTDJJVHNFD-QWHCGFSZSA-N 321.381 -0.166 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1C 1072390186 MZYUYVAUQJBSNE-DGCLKSJQSA-N 321.381 -0.016 30 20 DBED C=CCOCC(=O)N1CC(N2CCN(C(=O)[C@@H](C)C#N)CC2)C1 1073597105 QIECJNADFJMCDH-ZDUSSCGKSA-N 320.393 -0.296 30 20 DBED N#CCN1CCCO[C@@H](CNC(=O)c2cc(C(N)=O)ccn2)C1 1073914754 BQTIVMLRSIPEQO-LBPRGKRZSA-N 317.349 -0.475 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H](C)CCNC(=O)CNC(=O)C1CC1 1075741635 LSAFZJMSAXSYAY-RYUDHWBXSA-N 323.393 -0.438 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)c2cc3c([nH]2)CCOC3)C1 1077121058 DVJBUCAOBXBPLX-HUUCEWRRSA-N 303.362 -0.114 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCN2c2ncccn2)C1 1077164584 RLMCMPCTBIRXPV-JHJVBQTASA-N 316.365 -0.870 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)c2ccoc2CC(N)=O)C1 1077578806 WUIRNQBGZABNIT-VXGBXAGGSA-N 305.334 -0.894 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)C(=O)N2CCC[C@@H](C)C2)C1 1077790100 ZFDOUSNBZAOYSD-MGPQQGTHSA-N 307.394 -0.571 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)C[C@@H]2NC(=O)c3ccccc32)C1 1077876949 QZKAQPLLNZUSDW-BFHYXJOUSA-N 314.345 -0.454 30 20 DBED C[C@@H](C#N)C(=O)N1CCCO[C@@H](CNCc2cnnn2C)C1 1078358503 QUOLKLCBCAVRSE-AAEUAGOBSA-N 306.370 -0.318 30 20 DBED CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)CCc2cnn(C)n2)C1 1080415983 HCQZJDZMTGMKPV-LLVKDONJSA-N 318.381 -0.033 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CO)(NC(=O)c2ncn(C)n2)CC1 1080843969 HRPATKADZOWAJH-JTQLQIEISA-N 320.353 -0.942 30 20 DBED Cc1nc[nH]c1C(=O)NC1(CO)CCN(C(=O)[C@@H](C)C#N)CC1 1080911094 FXEGECOAJZJEID-JTQLQIEISA-N 319.365 -0.039 30 20 DBED C=C[C@@H](C)[C@@H](C)C(=O)NC1(CO)CCN(C(=O)C(N)=O)CC1 1080951768 FTYXXKPGVKXBCA-GHMZBOCLSA-N 311.382 -0.600 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2cn[nH]c2)C1 1081295924 XABCRVHPVDQDOQ-CHWSQXEVSA-N 304.350 -0.382 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@H](CNC(=O)CC(=O)NCC)C1 1081425082 NGCONVZHBILIOY-OLZOCXBDSA-N 323.393 -0.748 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)C2=COCCO2)C[C@@H]1O 1081441297 GPFCMVVRSAOVOJ-STQMWFEESA-N 322.361 -0.386 30 20 DBED C=CCCn1cc(C(=O)N[C@@H]2CN(CCOC)C[C@@H]2O)nn1 1083846559 GKZHNKOJJKGAJG-YPMHNXCESA-N 309.370 -0.725 30 20 DBED C#CCN[C@@H]1CC[C@H](CNC(=O)c2nccnc2C(N)=O)C1 1086870483 HKPOLEGDDACQCE-WDEREUQCSA-N 301.350 -0.303 30 20 DBED C#CCN1CC[C@H](NC(=O)Cn2ncc3cccnc32)[C@H](O)C1 1090436403 QNPSKXCCVGQBFI-UONOGXRCSA-N 313.361 -0.384 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2ccc(=O)n(CC)n2)[C@H](O)C1 1090655752 VLIJNTLSKBOZGQ-TZMCWYRMSA-N 318.377 -0.549 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2nn(CC)nc2C)[C@@H](O)C1 1090851247 AXOZIONLBSFZLD-STQMWFEESA-N 305.382 -0.205 30 20 DBED N#Cc1cnc(N2C[C@H](O)[C@H](NC(=O)CC(N)=O)C2)c(Cl)c1 1091077814 KRJFDBSIXWAGML-ZJUUUORDSA-N 323.740 -0.852 30 20 DBED C[C@@H](C(=O)NCCN=c1cc[nH]cc1C#N)N1CCOCC1 1093731279 UPJSIPJFMLGZEI-LBPRGKRZSA-N 303.366 -0.376 30 20 DBED C=C(C)CN1CC(N2C[C@@H](NC(=O)c3nonc3C)CC2=O)C1 1094820610 KLBGAUAZJGBDCP-NSHDSACASA-N 319.365 -0.031 30 20 DBED CN(CCCNC(=O)[C@@H]1COCCN1C)c1ccc(C#N)nn1 1095522355 ORNBNNOGPNUKMA-ZDUSSCGKSA-N 318.381 -0.379 30 20 DBED CN(CCCNC(=O)[C@@H]1CCC(=O)N1)c1nccnc1C#N 1095597286 AMPCZNHLIBFHSB-JTQLQIEISA-N 302.338 -0.431 30 20 DBED CS(=O)(=O)CC(=O)N[C@@H]1CCN(c2ccc(C#N)cn2)C1 1096341945 AAOZNHCSDBTPBF-LLVKDONJSA-N 308.363 -0.307 30 20 DBED COCCO[C@H](C)C(=O)N1CC[C@H](N=c2cc[nH]c(C#N)n2)C1 1096957132 FDKKMCVYFVENIF-NEPJUHHUSA-N 319.365 -0.166 30 20 DBED C[C@H](CNC(=O)CCS(C)(=O)=O)Nc1cncc(C#N)n1 1098393216 SFGUFWMOQQTIQV-SECBINFHSA-N 311.367 -0.300 30 20 DBED Cc1cc(C#N)nc(NC[C@@H]2CCN(C(=O)CNC(N)=O)C2)n1 1098501028 PRHWSQKYBZHYLM-JTQLQIEISA-N 317.353 -0.415 30 20 DBED C#CCCCC(=O)N[C@@H]1CCN(CCN2CCCC2=O)C[C@H]1O 1099805290 ZMBIYPNVQSBVLD-HUUCEWRRSA-N 321.421 -0.036 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)Cn2ccnc2C)[C@@H](O)C1 1100110404 VIMAOGQLAIGPHK-CABCVRRESA-N 322.409 -0.054 30 20 DBED CCOCCNC(=O)CNC1CC(CNC(=O)[C@@H](C)C#N)C1 1100190564 YNTUQSKRPKDRLR-HIFPTAJRSA-N 310.398 -0.217 30 20 DBED C#CCNC(=O)CC(=O)NCC1CC(N[C@@H](C)C(=O)N(C)C)C1 1100262866 KTVRUKODWZCGRF-HIFPTAJRSA-N 322.409 -0.913 30 20 DBED CC(C)C#CC(=O)NCC1CC(NCCN2C(=O)CNC2=O)C1 1100310473 UAZLMNHFVFEQIJ-UHFFFAOYSA-N 320.393 -0.318 30 20 DBED CN(CC(=O)NCCN(C)c1cnc(C#N)cn1)C(=O)C1CC1 1100375151 USMQLJQHDJDJNQ-UHFFFAOYSA-N 316.365 -0.231 30 20 DBED CCN(CCNC(=O)Cn1cnnn1)c1cc(C)ncc1C#N 1100439809 WGJYJTSKNDUBCH-UHFFFAOYSA-N 314.353 -0.109 30 20 DBED C=CCNC(=O)CNC1CC(CNC(=O)c2cn(C)c(O)n2)C1 1100638929 JLZBNAQHJCAOOY-UHFFFAOYSA-N 321.381 -0.474 30 20 DBED CCN(CCNC(=O)c1nnn(C)n1)c1ccc(C#N)cn1 1100679062 IEOHOGWIUWRZFM-UHFFFAOYSA-N 300.326 -0.267 30 20 DBED CCNC(=O)CC(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(C#N)cn1 1102546821 SIERVRLXTWKWKD-RYUDHWBXSA-N 314.349 -0.336 30 20 DBED C[C@@H](CNC(=O)c1ncn(C)n1)CNc1ccc(C#N)nn1 1103929494 ZTKJLMCDNJTYTR-SECBINFHSA-N 300.326 -0.045 30 20 DBED C[C@@H](CNC(=O)CCNC(N)=O)CNc1ccc(C#N)nn1 1103968144 YLQKHXVDDJQEGX-SECBINFHSA-N 305.342 -0.429 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H]1CCC[C@@H]1NC(=O)CC(N)=O 1105651346 KHDWDXDKLNBHGC-GWCFXTLKSA-N 301.350 -0.053 30 20 DBED Cc1nnsc1C(=O)NC[C@@H](O)CNc1cnc(C#N)cn1 1105744544 TVLLHTCZWYBPOT-VIFPVBQESA-N 319.350 -0.289 30 20 DBED Cc1cc(=NC[C@H](O)CNC(=O)C[C@H]2CCOC2)c(C#N)c[nH]1 1105759892 RHLCTIOBMCYCHC-OCCSQVGLSA-N 318.377 -0.001 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)C23CCN(CC2)C3)cn1 1105916869 BKWOTAOGXAJYNB-AWEZNQCLSA-N 315.377 -0.062 30 20 DBED Cc1n[nH]c(C)c1C(=O)NC[C@@H](O)CN=c1cc[nH]cc1C#N 1105932876 ZLRYAJHCUKCDDD-LBPRGKRZSA-N 314.349 -0.082 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)CCn2ccnc2)nn1 1106039330 QJHWOHZHLJOAPS-GFCCVEGCSA-N 315.337 -0.476 30 20 DBED N#Cc1cccnc1NC[C@@H](O)CNC(=O)[C@@]12COC[C@@H]1C2 1106145153 IUIQHVXJEWSQKB-ZOWXZIJZSA-N 302.334 -0.121 30 20 DBED C[C@@H](CCNc1cncc(C#N)n1)NC(=O)[C@@H]1CN(C)C(=O)N1 1106531815 QORMNCHDXCKSLB-ONGXEEELSA-N 317.353 -0.321 30 20 DBED CCN(CCNc1cncc(C#N)n1)C(=O)Cn1cnnn1 1106679163 CTEJQYBLXYZVPC-UHFFFAOYSA-N 301.314 -0.705 30 20 DBED CN1CCOC[C@@H]1C(=O)NC/C=C/CNc1cnc(C#N)cn1 1107161467 IOMPRNSXRRATBH-YWVDXFKGSA-N 316.365 -0.237 30 20 DBED C[C@@]1(C(=O)NC/C=C\CNc2nccnc2C#N)CNC(=O)C1 1107421115 ACJKWBWZWJSKNP-GWQWAINWSA-N 314.349 -0.041 30 20 DBED CC#CCN1CCO[C@@](C)(CNC(=O)c2cnn(C)c2N)C1 1107888226 LJJMMPLHTYNZTP-HNNXBMFYSA-N 305.382 -0.154 30 20 DBED COC[C@@]1(C(=O)NC[C@]2(C)CN(CC#N)CCO2)CCOC1 1108100667 YYAVLDFTEKDKCA-CABCVRRESA-N 311.382 -0.230 30 20 DBED COCC#CCN1CCO[C@@](C)(CNC(=O)c2ccncn2)C1 1108289727 PDEDJPWJYNTDLW-INIZCTEOSA-N 318.377 -0.053 30 20 DBED C=CCCC(=O)N[C@@H]1CC(=O)N(C2CN(CC(=O)NC)C2)C1 1108519745 IPHFFCGQHSEAOB-LLVKDONJSA-N 308.382 -0.900 30 20 DBED CCc1nc(C#N)cc(N(C)C[C@@H](C)NC(=O)CNC(C)=O)n1 1108811651 JWLWJNPUEXYCJP-SNVBAGLBSA-N 318.381 -0.012 30 20 DBED C[C@@H](CN(C)c1cnc(C#N)cn1)NC(=O)C[C@@H](C)NC(N)=O 1109096957 IHHONIBLXDZZAT-ZJUUUORDSA-N 319.369 -0.264 30 20 DBED C[C@H](CN(C)c1ccncc1C#N)NC(=O)c1nnn(C)n1 1109179807 VZEUWZXTLRYQGE-SECBINFHSA-N 300.326 -0.269 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NC(N)=O 1109213883 VQAFQCNVIFKORO-LMCGPQHNSA-N 324.381 -0.770 30 20 DBED C#CCN(C(=O)C(N)=O)C1CCN(c2cc(C)ncn2)CC1 1110628798 QVNYNRJQPJIENT-UHFFFAOYSA-N 301.350 -0.299 30 20 DBED Cc1cc(=NC2(CNC(=O)C(N)=O)CCOCC2)c(C#N)c[nH]1 1111000112 XIFLXQCWLDEOFM-UHFFFAOYSA-N 317.349 -0.754 30 20 DBED COc1ccnc(N2CC[C@](O)(CNC(=O)C#CC3CC3)C2)n1 1111069331 OCVCTHCDPIXOFO-INIZCTEOSA-N 316.361 -0.044 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(c2cnc(C#N)cn2)C[C@H]1O 1112701195 DKPZHVOBAKIYFS-WCQYABFASA-N 317.349 -0.536 30 20 DBED C[C@H](CNC(=O)C(=O)NCC1CC1)N(C)c1ccc(C#N)nn1 1113692090 LYZOEVCIFJIRGQ-SNVBAGLBSA-N 316.365 -0.185 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3cc(C)nn3C)[C@H]2C1 1113943410 XLQYBRUWNDQDSI-JYAVWHMHSA-N 317.393 -0.309 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@@H]2CN(Cc3cccnc3)C[C@@H]12 1114158176 QZBNXYCEAZNILI-ZIAGYGMSSA-N 312.373 -0.233 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)[C@H]3CC(=O)N(C)C3)[C@H]2C1 1114358509 XIYACLKLYXKHLO-RMRHIDDWSA-N 305.378 -0.839 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)c3cnc(O)n3C)[C@H]2C1 1114665279 DYBDOVXBTXKDDW-UWVGGRQHSA-N 319.365 -0.912 30 20 DBED C[C@H](CCCNc1nccnc1C#N)NC(=O)Cn1ncnn1 1115012258 LTNYSACMGOYOLW-SNVBAGLBSA-N 315.341 -0.268 30 20 DBED COc1ccc(C=NN2CC(=O)NC2=O)cc1OCC(N)=O 1115832738 HSZDCZWCAPNQNH-UHFFFAOYSA-N 306.278 -0.555 30 20 DBED CS(=O)(=O)N1CC(CNS(=O)(=O)CCCCC#N)C1 1116671106 YLMQDSJVPAONPE-UHFFFAOYSA-N 309.413 -0.509 30 20 DBED C=C[C@@H](COC)NC(=O)N(C)[C@@H]1CCN(S(C)(=O)=O)C1 1117714393 ZEWKGNDGKQAFCN-WDEREUQCSA-N 305.400 -0.137 30 20 DBED CNC(=O)NCC(=O)N1CC[C@@H](N=c2cc[nH]cc2C#N)[C@H]1C 1123112705 ZFOZRJQTVCMQGP-ZYHUDNBSSA-N 316.365 -0.295 30 20 DBED CC(=O)NCC(=O)N1C[C@@H](Nc2ccc(C#N)nn2)C[C@H]1C 1123121806 PCKZRBLTSWFPON-SKDRFNHKSA-N 302.338 -0.114 30 20 DBED Cc1cc(C#N)nc(NC[C@H](O)CN(C)C(=O)c2nc[nH]n2)n1 1124460026 GTFHLMPDNBVFOY-JTQLQIEISA-N 316.325 -0.680 30 20 DBED CC(C)CNC(=O)NC(=O)[C@H](C)NCCNC(=O)[C@@H](C)C#N 1124908105 DACDTRMYJOUHRW-QWRGUYRKSA-N 311.386 -0.278 30 20 DBED CN(C[C@@H](O)CN(C)c1cnc(C#N)cn1)C(=O)[C@H]1CCOC1 1124995034 OKTXJSXFUNBOJK-AAEUAGOBSA-N 319.365 -0.360 30 20 DBED C#CCNC(=O)CC(=O)NCCN[C@@H](C)C(=O)N(C)C(C)C 1125997981 JBVNZSYULNQMNB-LBPRGKRZSA-N 310.398 -0.913 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCNCC(=O)NC[C@@H]1CCCO1 1126366452 VQXVUMNSXBLWLX-SWLSCSKDSA-N 313.398 -0.686 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CC(=O)N(C(C)C)C1 1128643892 NGPJPOFAKAEQLY-CHWSQXEVSA-N 324.425 -0.360 30 20 DBED C#CCC1(C(=O)NCCNCC(=O)NCC=C)CCOCC1 1129117171 VGVMXMHMIKOZSB-UHFFFAOYSA-N 307.394 -0.186 30 20 DBED CO[C@H]1C[C@@H](c2n[nH]c(CNC(=O)[C@@H](C)OC)n2)N(CC#N)C1 1130253946 XOBXXLWUZUKBLM-VWYCJHECSA-N 322.369 -0.259 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cccc2ncn(C)c12 1130459709 LXEJYOINBSOWTG-UHFFFAOYSA-N 313.361 -0.358 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H]2C[C@@H]3CN(CCF)C[C@]2(C1)O3 1131217995 WCHJYYUSFPHOPP-XJKCOSOUSA-N 323.368 -0.603 30 20 DBED C=CCOCC(=O)N1CCC(=O)NCCN(C[C@@H](C)O)CC1 1131339375 AMGGBZSHUYPLPG-CYBMUJFWSA-N 313.398 -0.780 30 20 DBED CN(C)CCC(=O)N1CCC[C@H](N2CCN(CC#N)CC2=O)C1 1131716941 MWQGAASNMWDGAY-AWEZNQCLSA-N 321.425 -0.403 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cc(CC)nnc1C 1131793765 BKMZMIKJAXHUIC-UHFFFAOYSA-N 303.366 -0.584 30 20 DBED C=C[C@@](C)(CCOC)C(=O)NCCNCC(=O)NC(=O)NC 1131867572 RUSYQYGIUXMEFS-AWEZNQCLSA-N 314.386 -0.623 30 20 DBED C#CCOCCC(=O)N[C@@H](C)C[C@H](C)NCc1nc(=O)n(C)[nH]1 1134376859 UFHCIZOYXOCSFB-RYUDHWBXSA-N 323.397 -0.479 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1ccnc(N(C)C)c1 1134600614 YXRNXSRJPUIMOU-UHFFFAOYSA-N 303.366 -0.784 30 20 DBED Cc1nn[nH]c1C(=O)N[C@@H](C)C[C@@H](C)NCC(=O)NCC#N 1135161221 KLOJRMXETDKBON-BDAKNGLRSA-N 307.358 -0.761 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)c2cn(CCC)nn2)C1=O 1135969953 CZZLMQYBJZJDBC-GFCCVEGCSA-N 320.397 -0.206 30 20 DBED COCC#CCN[C@@H](C)C[C@@H](C)NC(=O)c1ccc(=O)n(C)n1 1136119191 QETVZQKYKZCYTE-QWHCGFSZSA-N 320.393 -0.083 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)CCc1cnccn1 1146736595 LRPOLGYTHZSOGR-LBPRGKRZSA-N 303.366 -0.747 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)CCOCCCOC 1147075581 MWYBDRNSVQLIFT-CYBMUJFWSA-N 313.398 -0.727 30 20 DBED CCO[C@@H]1C[C@@H]1C(=O)N1CC2(CCN(CC(=O)NCC#N)C2)C1 1147079916 VNRQCADTWPROAH-QWHCGFSZSA-N 320.393 -0.415 30 20 DBED COCCS(=O)(=O)CC(=O)N1CC2(CCN(CC#N)C2)C1 1147793517 HFKVEXUFXLSQTO-UHFFFAOYSA-N 315.395 -0.895 30 20 DBED CCNC(=O)CN1CCCO[C@@H](CNC(=O)C#CC2CC2)C1 1149694658 RDMJRBBBYXRBAC-AWEZNQCLSA-N 307.394 -0.257 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(CCn2cncn2)CCCO1 1149701988 WZDJHJNGCSDEOX-HNNXBMFYSA-N 317.393 -0.101 30 20 DBED CCN(CC#CCOC)[C@H](C)CNC(=O)[C@H]1CCNC(=O)C1 1152734316 RNIUEYPNUJKSBF-KGLIPLIRSA-N 309.410 -0.011 30 20 DBED C=CCCOCC(=O)NCCNCC(=O)NC(=O)NCC=C 1153080872 GQAUQLRXVXQBBG-UHFFFAOYSA-N 312.370 -0.703 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)c1nn(C)cc1C 1157790827 MJIYKOKIICMEQF-LBPRGKRZSA-N 305.382 -0.424 30 20 DBED COCC#CCN1CC=C(CCNC(=O)[C@H](C)NC(N)=O)CC1 1159928043 BECCCHMTEBHVDR-ZDUSSCGKSA-N 322.409 -0.169 30 20 DBED COCC#CCN1CC=C(CCNC(=O)[C@H]2CNC(=O)N2)CC1 1161051482 XLXCXXQRNARQCF-CQSZACIVSA-N 320.393 -0.544 30 20 DBED COCC1(CNC(=O)[C@H]2CCC(=O)NC2)CCN(CC#N)CC1 1162343309 JJQISOCUFHPJPL-ZDUSSCGKSA-N 322.409 -0.119 30 20 DBED COCC#CCNCCCNC(=O)c1c(C)c(C)nn(C)c1=O 1163704421 MHLWRYGMYVGNEA-UHFFFAOYSA-N 320.393 -0.244 30 20 DBED C=CCNC(=O)CNCCCNC(=O)c1coc(COC)n1 1169632734 NSRVFCIIBPPRPM-UHFFFAOYSA-N 310.354 -0.167 30 20 DBED C=CCN1CC[C@@H](NCCCC[C@@H](C)NC(=O)CC(N)=O)C1=O 1169936563 DHCAFKVIMNFUIC-CHWSQXEVSA-N 324.425 -0.087 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1cccnc1N(C)C 1176042340 CJBMZPLFOILYAS-UHFFFAOYSA-N 317.393 -0.394 30 20 DBED C=CCNC(=O)CNCCCNC(=O)CS(=O)(=O)CCC 1176357427 HEDJUTXJKPKHRT-UHFFFAOYSA-N 319.427 -0.791 30 20 DBED C#CCCNCCCC[C@@H](C)NC(=O)[C@H]1CCS(=O)(=O)N1 1176639199 PNCUEFUTYSNCHU-CHWSQXEVSA-N 315.439 -0.034 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1csc(COC)n1 1177359012 XIPNJVXINNYRPI-UHFFFAOYSA-N 324.406 -0.252 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)C[C@@H]2CCCC(=O)N2)C1 1184101088 WCUWFPLEPCWXAO-UONOGXRCSA-N 307.394 -0.115 30 20 DBED Cc1cc(C(=O)N2CC[C@H](N(C)CC(=O)NCC#N)C2)no1 1188777026 SCYZLVRXNLQKEG-NSHDSACASA-N 305.338 -0.231 30 20 DBED C#CCN1C[C@@H]2CCN(C(=O)CNC(=O)c3cccnc3)[C@@H]2C1 1189203243 BWBJOAXVMFFIPZ-LSDHHAIUSA-N 312.373 -0.023 30 20 DBED C#CCC1(C(=O)N2CC[C@H](N(C)CC(N)=O)C2)CCOCC1 1190585880 OEOIPVNKTCXWIQ-ZDUSSCGKSA-N 307.394 -0.176 30 20 DBED COCC1(C(=O)N2CC[C@H](N(C)CC(=O)NCC#N)C2)CC1 1191331093 NCZWZLHYQBGWRP-LBPRGKRZSA-N 308.382 -0.415 30 20 DBED CC#CCN(C)[C@@H]1CCN(C(=O)[C@@H](CCC)S(N)(=O)=O)C1 1191553022 YJEWYQKFUHEUAI-CHWSQXEVSA-N 315.439 0.000 30 20 DBED C=CCCC(=O)N[C@@H]1CN(CCN2C(=O)CCC2=O)C[C@H]1O 1191651302 FFKLEENBEABNBN-VXGBXAGGSA-N 309.366 -0.737 30 20 DBED C#CCCCCC(=O)N[C@@H]1CN(CC(=O)N2CCCC2)C[C@H]1O 1192287831 AYGOYNCKBVVRLC-HUUCEWRRSA-N 321.421 -0.036 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2nnc(C)o2)C[C@H]1O 1192892624 ZSPBWXABRHJPDA-MVWJERBFSA-N 308.338 -0.922 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)CCc2cncnc2)C1 1194711050 GJHAYSKVTCDSMT-HUUCEWRRSA-N 318.377 -0.780 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCCN(C(=O)[C@H](C)NC(C)=O)CC1 1194739134 KHGLIQNTIFUKFL-QWHCGFSZSA-N 324.425 -0.264 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)Cc2cscn2)C1 1196692065 SPGVYKMFECMRRP-VXGBXAGGSA-N 324.406 -0.851 30 20 DBED CC#CCN1CCCN(C(=O)CCCS(N)(=O)=O)CC1 1196993910 VUIYHNYAWLWVTN-UHFFFAOYSA-N 301.412 -0.387 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)CCc2cn(C)nn2)C1 1199524007 RTHPGTNNKSSFCR-ZIAGYGMSSA-N 323.397 -0.888 30 20 DBED C#CCNC(=O)[C@H](C)NC1CCN(C(=O)c2cnn[nH]2)CC1 1201428725 PERCDEZIXYQWBM-JTQLQIEISA-N 304.354 -0.863 30 20 DBED N#CCNC(=O)CNCC1CCN(C(=O)C2CCOCC2)CC1 1204238861 MEGFQHZODDZMJI-UHFFFAOYSA-N 322.409 -0.119 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1C 1206660168 YWZBXBHNWZWLHK-GMTAPVOTSA-N 302.400 -0.868 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@]2(C)CNC(=O)C2)C1 1208688837 XHAXUUIHSIEZKO-WBMJQRKESA-N 322.409 -0.605 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2ccsc2)[C@H](OC)C1 1211823005 RNKUKXFUILNJMY-CHWSQXEVSA-N 321.402 -0.074 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(CCS(C)(=O)=O)C[C@H]1OC 1212187399 RJFCMEWHOQXYNG-CHWSQXEVSA-N 316.423 -0.350 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)[C@H]2CCN(C)C2)[C@H](OC)C1 1213856974 BRJZRNSMISNWNP-BFHYXJOUSA-N 324.425 -0.944 30 20 DBED C=CCCCN1C[C@@H](NC(=O)C[C@H]2CC(=O)NC2=O)[C@H](OC)C1 1214001965 PYGWHCMWPHKLDA-YNEHKIRRSA-N 323.393 -0.179 30 20 DBED C=CCN[C@@H]1CN(C(=O)CN(C)S(=O)(=O)N(C)C)C[C@H]1C 1214619716 UZQPEOYRJCLKBV-VXGBXAGGSA-N 318.443 -0.653 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C)C2)C[C@H]1C 1214757698 UDAZOVPGYOBIIV-MGPQQGTHSA-N 307.394 -0.449 30 20 DBED N#CCSCC(=O)N[C@@H]1CN(CC[C@H]2CCOC2)C[C@@H]1O 1219216257 FMUIPELQRCQESR-XQQFMLRXSA-N 313.423 -0.169 30 20 DBED C[C@@H](C(=O)NC1CC1)N1C[C@H](O)[C@H](NC(=O)C#CC(C)(C)C)C1 1219589827 KLUBBQWREAANDH-YUTCNCBUSA-N 321.421 -0.136 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)Cc2cnn(C)c2C)C1 1219768076 BSSBWTZPVXKOTG-CABCVRRESA-N 322.409 -0.365 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)c2cn(C(C)C)nn2)C1 1220638272 YQUVHRVZEIXNFM-OCCSQVGLSA-N 323.397 -0.164 30 20 DBED C#CCOCCC(=O)N1C[C@H]2CCN(CC(=O)NCC#N)C[C@H]21 1221545140 YCVKOMSZBQHFMJ-ZIAGYGMSSA-N 318.377 -0.801 30 20 DBED C#CCNC(=O)CC(=O)NCC1CCN(C[C@@H](C)OC)CC1 1222907764 QFQKMUMEPHTNLH-CYBMUJFWSA-N 309.410 -0.011 30 20 DBED C=CCN[C@@H]1CCCC[C@H]1NC(=O)CNC(=O)Cn1cncn1 1230262382 WJKBAMTWLGDDPT-CHWSQXEVSA-N 320.397 -0.403 30 20 DBED C#CCCCC(=O)N(C)C[C@H]1CCN1[C@H](C)C(=O)NC(N)=O 1233946634 BYLREGFPAKEGCM-VXGBXAGGSA-N 308.382 -0.094 30 20 DBED C#CCNC(=O)[C@H](C)N(C)CCCNC(=O)[C@@H]1CCCOC1 1235581182 CNMSIDDXTNYNJH-UONOGXRCSA-N 309.410 -0.011 30 20 DBED COC(=O)C[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)CCO1 1261449543 FDVRKFXWKHWONT-TUAOUCFPSA-N 323.349 -0.415 30 20 DBED N#Cc1ccc(N2C[C@@H](C(=O)NOCC(N)=O)CC2=O)cc1 1319896229 OUFHDHKRZUYEAW-JTQLQIEISA-N 302.290 -0.556 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)NCc2nc(C3CC3)no2)C1 1326108050 OKRAOGGSGMDTOI-AWEZNQCLSA-N 319.321 -0.560 30 20 DBED C=C(C)COCCNC(=O)C(=O)N1CC[C@@](C)(C(=O)NC)C1 1327312031 GMEAOVLHLOJFCF-OAHLLOKOSA-N 311.382 -0.320 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N(CCO)C2CCC2)CCN1C1CC1 1329831077 IIVNYZNYLCTWBK-CQSZACIVSA-N 320.393 -0.441 30 20 DBED C[C@H](C(=O)NCC#CCN(C)C)S(=O)(=O)C1CCOCC1 1332708834 YOSVMCYOVFBPGL-GFCCVEGCSA-N 316.423 -0.350 30 20 DBED COC[C@@]1(CO)CCN(C(=O)C(=O)N2CCC[C@@H](C#N)C2)C1 1338081327 JPKLPZKYZYGUOX-WFASDCNBSA-N 309.366 -0.394 30 20 DBED COC1(OC)CC(CNc2c(C#N)c(=O)n(C)c(=O)n2C)C1 1338201296 SPMSEXOFJASKLY-UHFFFAOYSA-N 308.338 -0.233 30 20 DBED C#CCN(CC)c1nnc(C2=NO[C@@H](CO)C2)n1CCOC 1341235401 GYBVMLRCCBSDTK-LLVKDONJSA-N 307.354 -0.131 30 20 DBED CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)[C@H](C)C1 1345711176 FJABJCITXYYVPS-KGYLQXTDSA-N 306.366 -0.126 30 20 DBED C=CCNC(=O)Cn1nnnc1N1CCC[C@H](CCO)CC1 1352313587 AXUHTSOAKCICNE-LBPRGKRZSA-N 308.386 -0.036 30 20 DBED Cc1cnccc1CCNC(=O)Cn1cc(C#N)c(O)nc1=O 1362248454 WZTOFEBJGVOCJZ-UHFFFAOYSA-N 313.317 -0.117 30 20 DBED N#Cc1cn(CCNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)c(=O)nc1O 1362688118 KSWGJMGJPBTYBL-MXWKQRLJSA-N 304.306 -0.496 30 20 DBED Cc1noc(C)c1C(=O)NCCn1cc(C#N)c(O)nc1=O 1362689180 OZDVYMXTTCHXAN-UHFFFAOYSA-N 303.278 -0.145 30 20 DBED CCCN(C(=O)Cn1cc(C#N)c(O)nc1=O)[C@H](C)C(=O)OC 1362986988 NBGROVVRBQXGER-SECBINFHSA-N 322.321 -0.379 30 20 DBED N#Cc1cnn2c(O)cc(CN[C@@]3(C(N)=O)CCOC3)nc12 1364742255 WRNQIIDQBUNBOY-ZDUSSCGKSA-N 302.294 -0.959 30 20 DBED CCN(CCC#N)C(=O)CN[C@H](C)CNC(=O)c1ncn(C)n1 1371174277 VAVQORQHMGCPNL-LLVKDONJSA-N 321.385 -0.715 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CCN(C(=O)c2cnn(C)c2N)C1 1372076307 KTKPKZZSRZCPSU-UWVGGRQHSA-N 304.354 -0.165 30 20 DBED C[C@H](CNC(=O)c1cnc(O)n1C)NC(=O)c1ccc(C#N)[nH]1 1373015917 JISCVOMTOZNRDL-MRVPVSSYSA-N 316.321 -0.126 30 20 DBED CCN(CCNC(=O)[C@@H](C)C#N)C(=O)c1cc(C(N)=O)ccn1 1388415163 KTBMUPUCIKCJBF-JTQLQIEISA-N 317.349 -0.082 30 20 DBED C=C(Cl)CN1CC[C@@H]1CNC(=O)Cn1nc(C)n(C)c1=O 1392881015 UQZOIZPIXDRATQ-LLVKDONJSA-N 313.789 -0.167 30 20 DBED C[C@@H](CNC(=O)[C@@H](C)n1cncn1)NC(=O)c1cc(C#N)c[nH]1 1397412844 GKIKDGYVVZWTII-VHSXEESVSA-N 315.337 -0.026 30 20 DBED N#Cc1cc(C(=O)NC2(CNC(=O)[C@@H]3COCCO3)CC2)c[nH]1 1400533309 OTXNXWJYBSNMOA-LBPRGKRZSA-N 318.333 -0.320 30 20 DBED CCn1ncnc1CNCC1(O)CCN(C(=O)[C@@H](C)C#N)CC1 1402793760 DOJDHNHWQMULSI-LBPRGKRZSA-N 320.397 -0.099 30 20 DBED C[C@H](C#N)C(=O)NC1CN(C(=O)CCn2cnccc2=O)C1 1416047519 RGXRXMPISQEBQZ-SNVBAGLBSA-N 303.322 -0.880 30 20 DBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC=C(N)N1 1419740603 YUQLSLRDZUWGII-SECBINFHSA-N 321.362 -0.628 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](C)CNC(=O)CNC(=O)N1CCCC1 1432967803 CZNZLXJHNTYNSA-RYUDHWBXSA-N 323.397 -0.180 30 20 DBED COC(=O)c1cccn(CC(=O)N=c2cc[nH]cc2C#N)c1=O 1435071485 FFWVMESWSCTWMZ-UHFFFAOYSA-N 312.285 -0.038 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](C1CC1)N(C)C(=O)c1cn(C)nn1 1450834783 YKWYANUJNVRELW-SKDRFNHKSA-N 304.354 -0.058 30 20 DBED CNC(=O)NCCC(=O)N1CCC[C@@H](N(C)C(=O)[C@@H](C)C#N)C1 1454976644 AUBMVYRJVHEXEC-NWDGAFQWSA-N 323.397 -0.085 30 20 DBED CNC(=O)[C@H]1CN(C(=O)Nc2cnc(OC)c(C#N)c2)CCO1 1467270495 SCHGKEWRWXKWKM-LLVKDONJSA-N 319.321 -0.059 30 20 DBED CN(C)CC#CCNC(=O)NC1CCN(Cc2cnn[nH]2)CC1 1576748480 XSVURVVMAIIYKT-UHFFFAOYSA-N 319.413 -0.367 30 20 DBED C#CCN(CC(=O)O)c1nnnn1C[C@H]1CCOC[C@@H]1OC 1588427179 PQMHIRSQYKHTOJ-MNOVXSKESA-N 309.326 -0.751 30 20 DBED C#CCN1CCN(C(=O)CN2CCC(C#N)(C(=O)O)CC2)CC1 1588477379 OOVDYVDECHJQKI-UHFFFAOYSA-N 318.377 -0.546 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC[C@H]2C[C@H]2C(=O)O)C1=O 1588837170 SJWPFIUXQITZRC-GMTAPVOTSA-N 323.349 -0.931 30 20 DBED C[C@@H]1CCN(C(=O)C(=O)N2CCO[C@](C)(C#N)C2)C[C@H]1C(=O)O 1589332293 GLVZUMFDJFIOEX-UEKVPHQBSA-N 323.349 -0.303 30 20 DBED C[C@@H](C(=O)N1CCC(C#N)(C(=O)O)CC1)n1cnc(C#N)n1 1589345722 GDPMOYLOESPVGH-VIFPVBQESA-N 302.294 -0.072 30 20 DBED C#CC1(O)CN(Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C1 1602690692 HCSJLASSFFYIDE-UHFFFAOYSA-N 300.278 -0.045 30 20 DBED C=CCN1CC[C@H](N(C)S(=O)(=O)[C@H]2C[C@@H](C(=O)O)C2)C1=O 1602898784 ZAGCYLRYTIIKEV-AXFHLTTASA-N 316.379 -0.102 30 20 DBED C=CCCn1cc(C(=O)N2CCN(C)C[C@H](C(=O)O)C2)nn1 1609345882 LSGQHWGEDUGJPY-NSHDSACASA-N 307.354 -0.057 30 20 DBED N#Cc1nc(NC(=O)COC2CCNCC2)[nH]c1-c1nn[nH]n1 1609496429 LOGKVEHJVGWJCM-UHFFFAOYSA-N 317.313 -0.831 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)c2cc(C)nn2C)C1 1713145999 IAOFGDYGQMLMOZ-STQMWFEESA-N 317.393 -0.329 30 20 DBED C#CCN(C(=O)[C@H]1CCOC1)C1CCN(C[C@H](O)COC)CC1 1733366755 NNPQMKWJZCWKIE-HOCLYGCPSA-N 324.421 -0.044 30 20 DBED C#CCNC(=O)[C@H](C)N(C)CCCNC(=O)C(=O)NCC1CC1 1752089463 OBIOGHARYWUYSU-LBPRGKRZSA-N 322.409 -0.911 30 20 DBED C[C@@H](C#N)C(=O)NCCCN1CCN(Cc2ncnn2C)CC1 1752341681 MTWMHPJHZFTNSE-ZDUSSCGKSA-N 319.413 -0.401 30 20 DBED C=CCN1CCN(CCCNC(=O)c2nccnc2N)CC1 1752342234 UVOQIIFSBIYOQR-UHFFFAOYSA-N 304.398 -0.018 30 20 DBED C=CCOCC(=O)NCCN1CCN(Cc2ccnn2C)CC1 1752363339 MYAHDWSVFRVGJW-UHFFFAOYSA-N 321.425 -0.144 30 20 DBED N#CCNC(=O)CN1CCN(CCNC(=O)[C@@H]2CC23CC3)CC1 1752375243 URYYKVWCBGPWKN-ZDUSSCGKSA-N 319.409 -0.840 30 20 DBED C#CCNC(=O)CN[C@H](CNC(=O)C1CCC(O)CC1)C1CC1 1752458890 OGXOTQBJAVHKRH-YMAMQOFZSA-N 321.421 -0.229 30 20 DBED C=CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 1752583810 RMNXLKQBNBEIFM-MELADBBJSA-N 308.426 -0.038 30 20 DBED C#CCCNC[C@H]1CCCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 1752807834 OMLNXPJBROMMDG-NEPJUHHUSA-N 306.366 -0.564 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@H]1[C@@H]2CN([C@@H](C)C(=O)N(C)C)C[C@@H]21 1752844034 YIOAGCJKGUXCIQ-HCBXJVOMSA-N 309.410 -0.163 30 20 DBED C#CCNC(=O)CN(CC)CCNC(=O)Cc1ncccc1F 1753087684 NPPICRAWJFZZHU-UHFFFAOYSA-N 320.368 -0.049 30 20 DBED C#CCCN1CC[C@@H](CNC(=O)CN2CCC(=O)NC2=O)C1 1753137905 OVBPJGYXTQFHTA-LBPRGKRZSA-N 306.366 -0.610 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@@H](N(CC)C(=O)c2nc[nH]n2)C1 1753459509 QEAHFILXHSCFHM-VXGBXAGGSA-N 318.381 -0.521 30 20 DBED C#CCNCC[C@@H]1CCCN(C(=O)CCNC(=O)COC)C1 1753548392 OAJVZFOMRTYMFA-AWEZNQCLSA-N 309.410 -0.009 30 20 DBED C=C(C)CNC[C@@H](C)N(C)C(=O)CNS(=O)(=O)N(C)C 1753714929 MDNMRQXUNPVACI-LLVKDONJSA-N 306.432 -0.605 30 20 DBED C=CCn1cc(C(=O)NC[C@@H](O)CNCc2ncc(C)o2)nn1 1753929870 LQLACGOYJRZKFB-NSHDSACASA-N 320.353 -0.359 30 20 DBED Cc1nn(C)c(F)c1C(=O)N[C@@H](C)CCNCC(=O)NCC#N 1754017658 FVKKURFHQSBIJO-VIFPVBQESA-N 324.360 -0.395 30 20 DBED CCN(CCNC[C@@H](O)CN1C(=O)CCC1=O)C(=O)[C@@H](C)C#N 1754039330 UNTOZZPUWDTYGQ-NWDGAFQWSA-N 324.381 -0.906 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@@H](C)NC(=O)CCc1nc(C)no1 1754237042 QHEJQSNWSGCFQJ-MNOVXSKESA-N 321.381 -0.457 30 20 DBED C=C(C)CCN(C)C[C@@H](C)NC(=O)CN1C(=O)C(=O)N(C)C1=O 1754326825 RSWMQJIBXHZMFM-LLVKDONJSA-N 324.381 -0.190 30 20 DBED CN(CCCNCC#N)C(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 1754370429 BWKSDTVNTFZPHY-NSHDSACASA-N 304.354 -0.276 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@H]1CNC(=O)c1cnn(CC)c1 1754476631 AIZNGOQTTJNCNJ-OCCSQVGLSA-N 317.393 -0.155 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@@H]1CCCN1C(=O)Cn1cccn1 1754606086 CNMKPJMMMDOADR-KBPBESRZSA-N 317.393 -0.398 30 20 DBED C=CCCNC[C@@H]1CN(C(=O)c2nccnc2C(N)=O)CCO1 1755016150 WKAIEUZJYOFIJV-LLVKDONJSA-N 319.365 -0.418 30 20 DBED N#CCSCC(=O)N[C@@H]1COC2(C1)CN(Cc1cnon1)C2 1755059231 OPBSZLIKEMLTFJ-JTQLQIEISA-N 323.378 -0.214 30 20 DBED C=CCNCCC[C@@H](C)NC(=O)Cn1ncn2nccc2c1=O 1755518695 SKWVZHFJVXYANC-GFCCVEGCSA-N 318.381 -0.049 30 20 DBED C#Cc1ccc(C(=O)NC[C@H](CO)NCC#CCOC)nc1 1755645532 SFPORCXOXQGGIZ-CQSZACIVSA-N 301.346 -0.607 30 20 DBED C[C@@H]1C[C@@H](NCC(=O)NCC#N)CN1C(=O)Cc1cncn1C 1755690210 UEHLDTRELBMRQF-VXGBXAGGSA-N 318.381 -0.819 30 20 DBED C[C@H](NC[C@@H](O)CN(C)C(=O)C#CC(C)(C)C)C(=O)N(C)C 1755779085 COPFHRAVRBKHBR-QWHCGFSZSA-N 311.426 -0.079 30 20 DBED C#Cc1ccc(C(=O)N(C)C[C@H](O)CN(C)C[C@@H](C)O)cn1 1755806470 GSRKAUWXZJRVKJ-IUODEOHRSA-N 305.378 -0.192 30 20 DBED C=CC(C)(C)C(=O)N[C@H](C)C1CN(C(=O)[C@@H]2CNC(=O)N2)C1 1756152034 HXQXOOFKJYZSEV-KOLCDFICSA-N 308.382 -0.157 30 20 DBED C=C(C)C[C@H](C)C(=O)N[C@H](CO)CNC(=O)CS(C)(=O)=O 1756507440 CCVAUXUSYOADIC-QWRGUYRKSA-N 320.411 -0.773 30 20 DBED Cc1cc(OCC(=O)N[C@H](CO)CNC(=O)C#CC2CC2)no1 1756519940 QVMVFNWFNVGLRX-LBPRGKRZSA-N 321.333 -0.631 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H](CO)NC(=O)c1cccn1CC 1756521509 RLPDMUXKVGLRJE-CHWSQXEVSA-N 321.377 -0.247 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@H](NC(=O)c2snnc2C)C1 1757153464 UTWRLNYHPZWNHR-MNOVXSKESA-N 322.390 -0.048 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)CC2=CCOCC2)C[C@@H]1O 1757161421 BKSMHSAPTAHZKE-KGLIPLIRSA-N 324.377 -0.386 30 20 DBED C=CCO[C@H](C)C(=O)N[C@H]1C[C@@H](CNC(=O)Cn2cnnn2)C1 1757309053 DGSOCFKPTNHZMT-UTUOFQBUSA-N 322.369 -0.725 30 20 DBED COCCN(C(=O)CN[C@@H](C)CC#N)[C@@H]1CCS(=O)(=O)C1 1771861576 WDARXWZLWLWOHH-NWDGAFQWSA-N 317.411 -0.460 30 20 DBED C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@@]3(C)CCCN3)C2)C1 1781142680 JIRCJROWYPRHAQ-HZPDHXFCSA-N 305.378 -0.408 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(=O)oc1)CCO2 1783049527 CQBOKZBSVQRCDS-MRXNPFEDSA-N 316.313 -0.284 30 20 DBED C=CCC(=O)N1CC[C@@]2(C1)CN(C(=O)Cn1ccnn1)CCO2 1783914184 LIRMIGXJMSKTSE-OAHLLOKOSA-N 319.365 -0.316 30 20 DBED CN(C)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC#N)C[C@@H]21 1786718108 PPENSAAFBMLSRC-IHRRRGAJSA-N 322.409 -0.169 30 20 DBED C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCc1nc(N)n[nH]1 1798310570 NNYGDPFZSPZUGB-JGPRNRPPSA-N 316.365 -0.409 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccnn1)C2 1800453597 LDNVGJQYSNSCLZ-GNXNZQSNSA-N 300.318 -0.687 30 20 DBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCOCC)CCO2 1840524418 KGRHHVIMUFMZHQ-INIZCTEOSA-N 324.377 -0.497 30 20 DBED CC(C)(C#N)C(=O)N1CCCC12CN(C(=O)[C@H]1CNC(=O)C1)C2 1841139014 OWNCRBFDTLLEKA-LLVKDONJSA-N 318.377 -0.124 30 20 DBED CN(C)C(=O)CNC(=O)N1CCN(c2cc(C#N)ccn2)CC1 43714274 ZDNMQMUWOCMACB-UHFFFAOYSA-N 316.365 -0.127 30 20 DBED CN(C(=O)CN1CCN(C(=O)CO)CC1)C1(C#N)CCCCC1 89422874 YNGGFRUTPGRGPL-UHFFFAOYSA-N 322.409 -0.192 30 20 DBED C#CCN1CCN(C(=O)c2cnc3[nH]c(=O)[nH]c(=O)c3c2)CC1 112920167 KPSKYSWSIPXILO-UHFFFAOYSA-N 313.317 -0.998 30 20 DBED O=C1NC[C@@H]2CN(CC#Cc3ccc(F)cc3)CCN2C1=O 157128710 RALHGUSEUINXTN-CQSZACIVSA-N 301.321 -0.180 30 20 DBED C/N=C(/NC[C@@H]1CN2CCN1CC2)N1CCC[C@@H](CC(N)=O)C1 261717316 HZJQJIBXHHTXET-UONOGXRCSA-N 322.457 -0.851 30 20 DBED CCN(CC#N)C(=O)[C@@H](C)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 266706355 ZDXLJBSODNCTNS-OOCWMUITSA-N 305.334 -0.091 30 20 DBED COc1cc(C#N)ccc1OCC(=O)NN1CC(=O)N(C)C1=O 271231455 BHIDWMAVSOZBEQ-UHFFFAOYSA-N 318.289 -0.129 30 20 DBED C=CCNC(=O)CNC(=O)C(=O)Nc1cccc2c1OCCO2 272098505 YPWVXHQRUGKEBP-UHFFFAOYSA-N 319.317 -0.185 30 20 DBED N#Cc1ccc(NC(=O)C(=O)N2C[C@H](O)[C@H](O)C2)c(Cl)c1 277447231 FWRGOHNHURNGCB-PHIMTYICSA-N 309.709 -0.286 30 20 DBED C=CCN1CC[C@@H](N2CCN(C(=O)C(=O)NC(C)C)CC2)C1=O 282106774 WOTNDZBEAWGPGM-CYBMUJFWSA-N 322.409 -0.558 30 20 DBED CS(=O)(=O)NC(=O)CCNC(=O)c1ccc(F)c(C#N)c1 286471083 KRZRWYWXWXDJTO-UHFFFAOYSA-N 313.310 -0.107 30 20 DBED C#CCN(C)CCCNC(=O)C(=O)Nc1ccn(CCOC)n1 293198077 AFHYYKOZYKPIRO-UHFFFAOYSA-N 321.381 -0.461 30 20 DBED C#CCOc1cccc(NC(=O)C(=O)N2CC(=O)N[C@@H](C)C2)c1 296251214 QEVQSHZWAUERQB-NSHDSACASA-N 315.329 -0.016 30 20 DBED COCCN1CC[C@H](/N=C(/O)CN2CCCS2(=O)=O)C1 329309037 PFNCOCUMROQOAE-NSHDSACASA-N 305.400 -0.301 30 20 DBED C[C@H](/N=C(/O)c1cnc2c(c1)nnn2C)C(=O)N1CCOCC1 329623697 UWZXWKAOMHRURA-VIFPVBQESA-N 318.337 -0.085 30 20 DBED CNS(=O)(=O)c1cc(/C(O)=N/[C@H]2CCCNC2=O)co1 330458745 PUYDTCLTLGILFW-QMMMGPOBSA-N 301.324 -0.229 30 20 DBED C=CCN(C(=O)[C@@H]1CCC(=O)N1C)[C@H]1CCS(=O)(=O)C1 330753495 JCUDAEZFZDBLTP-QWRGUYRKSA-N 300.380 -0.191 30 20 DBED CC/N=C(/O)NC(=O)[C@@H](C)N1CCN(Cc2cnn(C)c2)CC1 331214343 BKKVTWVZAKRZMI-GFCCVEGCSA-N 322.413 -0.024 30 20 DBED C=CCNC(=O)[C@@H](C)S(=O)(=O)c1nnc(NC(C)=O)s1 350242574 SLMNCFJMUBEHCB-ZCFIWIBFSA-N 318.380 -0.039 30 20 DBED C[C@@H]1CCN(C(=O)C(=O)Nc2ccn(CCC#N)n2)C[C@@H]1O 357726152 CBLSBKPVKHMDGS-MNOVXSKESA-N 305.338 -0.035 30 20 DBED C=C[C@@H](CO)NC(=O)NCCNS(=O)(=O)c1cccs1 359208916 DGMGOZNXKINQCC-VIFPVBQESA-N 319.408 -0.128 30 20 DBED CN(CCC#N)C(=O)CCN(CCNS(C)(=O)=O)C1CC1 361372940 AQYFDEBJPZESRT-UHFFFAOYSA-N 316.427 -0.238 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)C[C@@](C)(O)C2CC2)CC1 366846698 WZBRTKVXTICSDV-QGZVFWFLSA-N 321.421 -0.179 30 20 DBED C=CCOC[C@@H](NC(=O)[C@H]1COCCN1CC)C(=O)OC 435947475 FFWMINMMYRYGLL-VXGBXAGGSA-N 300.355 -0.433 30 20 DBED C#CCN1CCN(C(=O)CN2CC[C@@](C)(C(=O)OC)C2)CC1 490802460 BHODBNDLZCIMES-MRXNPFEDSA-N 307.394 -0.351 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@H](C)n2cncn2)CC1 490892071 JOIYOEHPEOQYNZ-ZDUSSCGKSA-N 318.381 -0.877 30 20 DBED C#CCN(C)C(=O)NCCNS(=O)(=O)Cc1ccon1 491809248 XZKQFENQUSMGJK-UHFFFAOYSA-N 300.340 -0.631 30 20 DBED C#CCN1CCN(C(=O)Cn2nc(C3CC3)ccc2=O)CC1 491815879 VPBUFSZBKPCMNZ-UHFFFAOYSA-N 300.362 -0.102 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@H](C)CC(=O)OC 515657945 LAEFAWYVFJAUHG-SNVBAGLBSA-N 307.372 -0.366 30 20 DBED C=CCN(C)C(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1 525854495 NDVKTRMEQSGKDT-UHFFFAOYSA-N 321.381 -0.202 30 20 DBED CC1CC(C#N)(C(=O)NCCNS(=O)(=O)NC(C)C)C1 555689231 LSXJCEGEIVMMKC-UHFFFAOYSA-N 302.400 -0.125 30 20 DBED CC#CC[C@@H](NS(=O)(=O)N(CCC#N)CCOC)C(=O)O 593265010 ZKSZCXQKERGKQH-LLVKDONJSA-N 317.367 -0.451 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)NCc1nc(C(N)=O)co1 594803542 QKZMABVOWPKXBK-SSDOTTSWSA-N 301.328 -0.658 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)NCCN(C)CCCN(C)C 594821252 LMAFDOGRRRJYMB-ZDUSSCGKSA-N 319.475 -0.204 30 20 DBED C=CCSCCNC(=O)C(=O)N(C)C[C@H]1COCCO1 597218604 PJTVYDBFDGJGDW-NSHDSACASA-N 302.396 -0.104 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)Cn2cc(C(=O)OC)cn2)C1=O 599891111 LVWUEIOIYHLOKU-GFCCVEGCSA-N 320.349 -0.085 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1C[C@H]2COC[C@H]2C1 601980249 SYZAGWJQFNVIPA-TXEJJXNPSA-N 303.384 -0.329 30 20 DBED C=CCNC(=O)NC(=O)CN1CCc2nnc(NC)cc2C1 609258348 TVQVNKJOLLOSNQ-UHFFFAOYSA-N 304.354 -0.112 30 20 DBED N#C[C@@]1(F)CCN(C(=O)C2CCN(S(N)(=O)=O)CC2)C1 615594632 QCJKRHJKNVHBOZ-NSHDSACASA-N 304.347 -0.634 30 20 DBED C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCC#CCO 619873296 ASWIHQRXGVXNFZ-JTQLQIEISA-N 305.290 -0.175 30 20 DBED CC#CC[C@H](CO)NC(=O)C(=O)N=c1ccn([C@H](C)COC)[nH]1 646951968 VATJTZVGIIMJCF-VXGBXAGGSA-N 322.365 -0.659 30 20 DBED C=CCC[C@H](CO)NC(=O)NCCCN(C)S(C)(=O)=O 655078621 MYBIGGYZAPHKLJ-LLVKDONJSA-N 307.416 -0.106 30 20 DBED C=CCN1C(=O)C(=NNC(=S)NCC(N)=O)c2ccccc21 727066927 ZIHPACWDOGRZPB-UHFFFAOYSA-N 317.374 -0.127 30 20 DBED CCOC(=O)c1nn(C)cc1C=NNc1ccc(C(N)=O)nn1 769793379 MAZLSSYUZSLURS-UHFFFAOYSA-N 317.309 -0.068 30 20 DBED COCCNC(=O)[C@@H](C#N)C(=O)CCC(=O)c1cnn(C)c1 796633267 NIYZDSGDAXALEI-NSHDSACASA-N 306.322 -0.146 30 20 DBED CNC(=O)C1(C(=O)NS(=O)(=O)c2cncc(C#N)c2)CCC1 813981002 QTROYRHPJMVAJA-UHFFFAOYSA-N 322.346 -0.326 30 20 DBED C=CCCn1cc(C(=O)OCCCN2C(=O)CNC2=O)nn1 820976746 JIQYZBCLTLLNDM-UHFFFAOYSA-N 307.310 -0.047 30 20 DBED C[C@@H](CN)NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 834628855 UCXLLVDQZIFGCX-VIFPVBQESA-N 310.379 -0.421 30 20 DBED C=CCn1c(C(=O)NC(C)C)nnc1N1CCCNC(=O)C1 873665044 GVPFMXPPUHIAQL-UHFFFAOYSA-N 306.370 -0.071 30 20 DBED C#CCCS(=O)(=O)N(C)C(C(=O)OCC)C(=O)OCC 882214399 SGLUNBKQDRPTBD-UHFFFAOYSA-N 305.352 -0.234 30 20 DBED C#CC[C@@H](CCOC)Nc1nc2c([nH]1)c(=O)n(C)c(=O)n2C 894828166 LNMUIOIFFYDHJB-VIFPVBQESA-N 305.338 -0.199 30 20 DBED C#CC1(O)CN(S(=O)(=O)c2ccc(F)c(C(=O)OC)c2)C1 908232169 PEVOOWKCZKCCCY-UHFFFAOYSA-N 313.306 -0.019 30 20 DBED C#CC[C@@H]1NC(=O)N(CCCN2CCC[C@@H](C(N)=O)C2)C1=O 927425018 NLVLJCRBJISLOP-NEPJUHHUSA-N 306.366 -0.483 30 20 DBED COCCCS(=O)(=O)N1CCN(C[C@H](O)CC#N)CC1 929855973 FZWYLVQSPZIZNS-GFCCVEGCSA-N 305.400 -0.755 30 20 DBED CN(C(=O)[C@H]1C[C@H]1C(N)=O)[C@@H]1CCN(C(=O)C#CC2CC2)C1 937353025 OBVOEYJRMMKOAO-UPJWGTAASA-N 303.362 -0.420 30 20 DBED C=CCN1CC[C@H](NC(=O)CN2CCC(=O)NC2=O)[C@@H](C)C1 944016572 MTSXDYPKLDXRAM-RYUDHWBXSA-N 308.382 -0.059 30 20 DBED Cc1c[nH]nc1C(=O)NC[C@H]1CN(C(=O)[C@H](C)C#N)CCO1 944585018 BHNBCWPKCLXYBS-KOLCDFICSA-N 305.338 -0.165 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(O)(CN[C@@H]2CCN(C)C2=O)CC1 946919088 XUJAQIXNUIMHGU-NWDGAFQWSA-N 308.382 -0.680 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2cnc(O)n(C)c2=O)C[C@@H]1C 947603702 YEUJQLLCBWGWTD-WDEREUQCSA-N 304.350 -0.298 30 20 DBED N#Cc1c[nH]c(C(=O)N2C[C@H]3C[C@H]2[C@H]3NC(=O)c2cnon2)c1 947822401 BSCDDDTVKBVEHJ-ZHAHWJHGSA-N 312.289 -0.088 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CCN(C(=O)C(N)=O)CC1 948084068 KOFFIPKWOAJORM-RYUDHWBXSA-N 309.366 -0.440 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@@H]2CCN2C(=O)[C@@H]2COCCO2)c1 949283010 DZHUHIADPSXQFI-AAEUAGOBSA-N 318.333 -0.368 30 20 DBED CN1C[C@@H](C(=O)NC[C@H]2CCN2C(=O)C#CC2CC2)CC1=O 950405375 YETWWWFHEWHWKH-QWHCGFSZSA-N 303.362 -0.405 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@H]2CNC(=O)[C@H]2CCNC2=O)c1 951460578 ZELWWQUEKSJDQI-QWRGUYRKSA-N 315.333 -0.647 30 20 DBED C#Cc1cncc(C(=O)NC[C@H]2CCN2C(=O)c2cn(C)nn2)c1 952012275 NOYSUMMEWNJQOL-CYBMUJFWSA-N 324.344 -0.164 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CN(C(=O)c2cn(C)nn2)C1 955364371 DEAJTVNHZXNPRL-YPMHNXCESA-N 319.365 -0.311 30 20 DBED CC#CCN1C[C@@H](O)[C@H](CNC(=O)c2cnn(CCF)c2)C1 958199468 IVXLCMCMENBBQT-TZMCWYRMSA-N 308.357 -0.102 30 20 DBED N#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cnn3cccnc23)C1 958308937 DEULHPPIEMRJOK-CMPLNLGQSA-N 300.322 -0.725 30 20 DBED C#CCN1C[C@H](CNC(=O)c2occc2CN(C)C)[C@@H](O)C1 958345589 PFZUQSAAUGKPHU-KBPBESRZSA-N 305.378 -0.003 30 20 DBED CN1CC[C@@H](C(=O)N(C)[C@H]2CN(C(=O)C#CC3CC3)C[C@@H]2O)C1 958849666 ADWGGWUWLURHPY-ILXRZTDVSA-N 319.405 -0.618 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1[C@H]2CN(CCn3cncn3)C[C@H]12 961831742 IVOCKCZNOKHLEG-RFGFWPKPSA-N 317.393 -0.084 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@H]1COCCN1C(=O)COC 964233303 VVBWIYHKOPKJLI-KGLIPLIRSA-N 323.393 -0.926 30 20 DBED O=C(NC[C@H]1COCCN1C(=O)C#CC1CC1)c1nc[nH]n1 964311397 RUYAKXZRFDHBTI-NSHDSACASA-N 303.322 -0.825 30 20 DBED C#CCCN1CC[C@@H](C)[C@H](NC(=O)CN2CCN(C)C(=O)C2)C1 967036215 VTOOOHRZNBGKPC-HUUCEWRRSA-N 320.437 -0.390 30 20 DBED C[C@@H]1CCN(CC#N)C[C@@H]1NC(=O)Cn1ccc(O)nc1=O 967273261 KMWRWQOSIYEHIW-MNOVXSKESA-N 305.338 -0.701 30 20 DBED C[C@@H]1CCN(CC#N)C[C@@H]1NC(=O)CN1CCC(=O)NC1=O 968514772 XUYJGBMSISEVLN-MNOVXSKESA-N 307.354 -0.722 30 20 DBED N#CCN1C[C@H]2CC[C@H]1CN2C(=O)[C@H]1CCCN(C(N)=O)C1 971577869 CVINCCKTQQIPTR-RWMBFGLXSA-N 305.382 -0.024 30 20 DBED C[C@@]1(C(=O)N2CC[C@@]3(CN(CC#N)CCO3)C2)CCC(=O)N1 972540596 RHXICPWAKSTRQD-LSDHHAIUSA-N 306.366 -0.518 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)Cn2nccn2)C1 974171105 NBTFSNFROPRCFI-XQHKEYJVSA-N 319.365 -0.367 30 20 DBED CN1C[C@H](C(=O)N(C)C[C@@H]2CCN2C(=O)C#CC2CC2)NC1=O 978148505 QONGIFGDWNLVTN-QWHCGFSZSA-N 318.377 -0.517 30 20 DBED C=C(C)CN1CCCN(C(=O)Cn2ccc(=O)n(C)c2=O)CC1 981281668 HURKSSJJSSCGRN-UHFFFAOYSA-N 320.393 -0.343 30 20 DBED C[C@H]1C[C@H](NCc2nnn(C)n2)CN1C(=O)c1cc(C#N)c[nH]1 988499414 GNQHALMRPSWEDE-ONGXEEELSA-N 314.353 -0.197 30 20 DBED C#CCN[C@@H]1C[C@H](C)N(C(=O)Cc2ccc(C(N)=O)nc2)C1 989037412 XPCHOOGWLRFSET-WCQYABFASA-N 300.362 -0.065 30 20 DBED N#Cc1ccc(C(=O)NC2CN(C(=O)c3cc[n+]([O-])cc3)C2)[nH]1 990885730 ITHASMOYTZUDID-UHFFFAOYSA-N 311.301 -0.226 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](NC(=O)C(N)=O)CC2(CCOCC2)C1 991122299 IWEBSSOVYCMFQY-GHMZBOCLSA-N 322.365 -0.855 30 20 DBED C#CCN[C@@H]1CCC[C@H]2CN(C(=O)CN3CCOCC3=O)C[C@@H]21 992718151 XQEUYJVTXHBDFC-SOUVJXGZSA-N 319.405 -0.305 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)[C@H]2CCCCN(C)C2=O)C1 996385325 WKMWPOVKNUPXEE-CMPLNLGQSA-N 306.366 -0.268 30 20 DBED C#CCN1CCC[C@H](N(CC)C(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 998134436 JLMSIVWCVPVXEB-STQMWFEESA-N 320.393 -0.079 30 20 DBED C#Cc1ccc(C(=O)N[C@@H](C)C2CN(C(=O)C(N)=O)C2)cn1 1006531440 XMWBTCTVGDEQRI-VIFPVBQESA-N 300.318 -0.875 30 20 DBED C=CCN1CCC[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C1 1007454891 ALWODOZSLQBJFK-GFCCVEGCSA-N 306.366 -0.686 30 20 DBED C#CCCN1CCC[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)C1 1009199654 CJSFGKRZQFYTAJ-NSHDSACASA-N 314.349 -0.365 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2C(NC(=O)CN3CCCNC3=O)[C@@H]2C1 1013388477 XCBIHGFEZPYLIE-GMTAPVOTSA-N 319.365 -0.866 30 20 DBED N#CCN1CCC2(CC1)C[C@@H]2NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 1016833670 MXUJOGWMFFRCNR-TUAOUCFPSA-N 306.366 -0.486 30 20 DBED C[C@@H](C#N)C(=O)N1CC=C(CNC(=O)[C@@H]2COCCN2C)CC1 1017394998 NMZMYHDJHUSAGO-JSGCOSHPSA-N 320.393 -0.248 30 20 DBED C[C@@H](C#N)C(=O)N1CC=C(CNC(=O)[C@H]2CC(=O)N(C)C2)CC1 1017507754 QQVVWCDDOAFEEW-AAEUAGOBSA-N 318.377 -0.101 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)Cn3ccc(C)n3)C2)C1=O 1030973253 KNSGZKPYNUTYQR-AWEZNQCLSA-N 317.393 -0.221 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(Cc2nnnn2CCC)C1 1030978911 ZLUVJPJGIRQASH-OLZOCXBDSA-N 320.397 -0.025 30 20 DBED C=CCCn1cc(C(=O)N(C)[C@H]2CCN(CC(N)=O)C2)nn1 1033483755 LGYWVSPHCCEGCV-NSHDSACASA-N 306.370 -0.514 30 20 DBED CC#CCN1CC[C@@H](N(C)C(=O)CN2CCC(=O)NC2=O)C1 1033559199 YDNDUTNQZXUIOM-GFCCVEGCSA-N 306.366 -0.516 30 20 DBED C=C(C)CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)CN1CCNC(=O)C1 1037538055 DJDKQSCFDLDKHJ-DVOMOZLQSA-N 306.410 -0.427 30 20 DBED C#CCCCC(=O)NC[C@]1(O)CCN(C(=O)Cn2cccn2)C1 1039573445 HNXLNSIJTXMMEQ-MRXNPFEDSA-N 318.377 -0.234 30 20 DBED CC(C)C#CC(=O)NC[C@@]1(O)CCN(C(=O)c2ccncn2)C1 1039665500 NBDIHHUGORZGQJ-INIZCTEOSA-N 316.361 -0.171 30 20 DBED O=C(C#CC1CC1)NC[C@]1(O)CCN(C(=O)c2ccncn2)C1 1039681310 YQAYOJWXYIDMOQ-MRXNPFEDSA-N 314.345 -0.417 30 20 DBED C[C@@H]1C[C@H]1C(=O)NCC1(O)CN(C(=O)c2ccc(C#N)[nH]2)C1 1041285937 OUTKROVRMBXQFU-MWLCHTKSSA-N 302.334 -0.155 30 20 DBED C#CCCN1CC[C@@]2(CCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C2)C1 1041716885 GJLWFTCMOVDMMJ-BLLLJJGKSA-N 318.377 -0.468 30 20 DBED CC#CCCCC(=O)N1CC(O)(CNC(=O)CC(=O)NCC)C1 1042679002 HKUIHAYWUCCKNI-UHFFFAOYSA-N 323.393 -0.604 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)c2ccc(O)nn2)C1 1042802445 JFKHZMRBXVYGAZ-UHFFFAOYSA-N 318.333 -0.711 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCNC(=O)C2)C1 1042803356 XMQAQSDYXPZCAJ-GFCCVEGCSA-N 321.377 -0.994 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(O)CN(C(=O)c2oncc2C)C1 1042808769 CTDIHRFLXJLAQO-AWEZNQCLSA-N 323.349 -0.387 30 20 DBED Cc1cnc(C(=O)N2CC(O)(CNC(=O)C#CC(C)C)C2)cn1 1042936950 VHOSGIKEECIZEO-UHFFFAOYSA-N 316.361 -0.252 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)c2ccn(CC)n2)C1 1043018322 BVKHLLMVQGQEGK-UHFFFAOYSA-N 322.365 -0.591 30 20 DBED CC(C)[C@@H]1CCO[C@@H]1C(=O)NCC1(O)CN(C(=O)[C@@H](C)C#N)C1 1043253191 QOMYLLLOHLJMJF-AVGNSLFASA-N 323.393 -0.103 30 20 DBED C=CCCn1cc(C(=O)N(C)C2CN([C@@H](C)C(N)=O)C2)nn1 1044028697 UMGFGRLWBQSLLR-JTQLQIEISA-N 306.370 -0.516 30 20 DBED N#Cc1cncc(N2C[C@H](O)[C@H](NC(=O)c3cc(F)c[nH]3)C2)n1 1044337212 JLHMTEUOOMGZHD-NEPJUHHUSA-N 316.296 -0.205 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)C[C@H]2COC(=O)C2)C1 1044456345 SZHYNQHJQIFVBR-LLVKDONJSA-N 324.377 -0.159 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)[C@H](F)C(C)C)C1 1044964050 CRBSMOBUTOAFJQ-NWDGAFQWSA-N 314.357 -0.292 30 20 DBED C=CCCCC(=O)NCC1(O)CN(C(=O)Cn2ccnc2)C1 1045462326 FCFDNUNDOCLBOK-UHFFFAOYSA-N 306.366 -0.071 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)CCCn2cccn2)C1 1045555313 PTPCGXLTRLFOHN-GFCCVEGCSA-N 319.365 -0.488 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)c2cc3n(n2)CCC3)C1 1045560527 YEZQZBAZFCRTLI-JTQLQIEISA-N 317.349 -0.708 30 20 DBED N#Cc1ccc(C(=O)N2C[C@@H]3CN([C@@H]4CCNC4=O)C[C@@H]3C2)[nH]1 1048771510 NSCKFZSOZLRQFS-UHIISALHSA-N 313.361 -0.221 30 20 DBED CCOc1cnc(C(=O)NC[C@@H]2COCCN2CC#N)cn1 1051272459 DAKVVKCXZJLSAT-LLVKDONJSA-N 305.338 -0.171 30 20 DBED C#CCN1CCN([C@H]2CCN(C(=O)c3cnnn3C)C2)CC1 1052023295 RQUTWMRIGMWYMV-ZDUSSCGKSA-N 302.382 -0.720 30 20 DBED C#CCN1CCN([C@H]2CCN(C(=O)C[C@@H]3CCC(=O)N3)C2)CC1 1052096415 KACWENKQODSAQJ-GJZGRUSLSA-N 318.421 -0.493 30 20 DBED C#CCOCCC(=O)N1C[C@H](C)[C@H](CNC(=O)c2cnn[nH]2)C1 1052591819 DRWIFFAPDTUZDE-NWDGAFQWSA-N 319.365 -0.331 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)c1ccn(C)c(=O)c1)CCO2 1053312228 LUZJPVUQYYLMQU-UHFFFAOYSA-N 315.373 -0.065 30 20 DBED C#CCN1CC2(CC[C@@H](CNC(=O)c3ccn(C)c(=O)c3)O2)C1 1053619604 TYEDEJBEJSDCBV-AWEZNQCLSA-N 315.373 -0.018 30 20 DBED Cc1ncnc(O)c1C(=O)NC[C@H]1CCC2(CN(CC#N)C2)O1 1053652388 VOWCCRCTVNQMST-LLVKDONJSA-N 317.349 -0.023 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)CN3CCCCCC3=O)CO2)C1 1054002101 QMYYXQIVMKBKBL-AWEZNQCLSA-N 319.405 -0.018 30 20 DBED C=CCCCC(=O)N1CCC[C@](CO)(NC(=O)CC(N)=O)C1 1055848172 BSWJPUWZNOCVCJ-HNNXBMFYSA-N 311.382 -0.312 30 20 DBED C[C@H](C#N)C(=O)N[C@]1(CO)CCCN(C(=O)c2ccn(C)n2)C1 1056097729 UWWYCNBSCZWTQT-IAQYHMDHSA-N 319.365 -0.337 30 20 DBED C=CCOCC(=O)N1CC[C@H]2[C@H]1CCCN2C(=O)CC(N)=O 1056325403 RVHQYBXRDYRBEI-NEPJUHHUSA-N 309.366 -0.344 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)[C@H]1CCCO1 1056892976 OWHJGGUWTWOSEH-GFCCVEGCSA-N 300.355 -0.695 30 20 DBED C=C(C)C(C)(C)C(=O)NCCN(CCO)C(=O)c1cn(C)nn1 1057495477 LUVFNCDKRJFRON-UHFFFAOYSA-N 323.397 -0.032 30 20 DBED CCCN1CCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N 1057853507 RVDFDTAGTIVWKV-KBPBESRZSA-N 324.425 -0.042 30 20 DBED C=C(C)C[C@H](C)C(=O)N(CCO)CCNC(=O)c1ncn(C)n1 1058464305 SJEWRRIJNKSORA-LBPRGKRZSA-N 323.397 -0.032 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)c1ccnc(F)c1 1058653500 WMJCZZLPAIGJML-SNVBAGLBSA-N 308.313 -0.069 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)CCOCC(F)F 1058656920 MYRZDYOXRWZOBN-JTQLQIEISA-N 321.324 -0.245 30 20 DBED C=C(C)CCC(=O)NCCN(CCO)C(=O)Cc1nc[nH]n1 1058890755 IRNLFDJPTSDINF-UHFFFAOYSA-N 309.370 -0.359 30 20 DBED N#Cc1ccc(N[C@H]2C[C@@H](NC(=O)[C@@H]3COCCO3)C2)nn1 1059563517 CFPAPUFPXXRUQR-TUAOUCFPSA-N 303.322 -0.177 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CC[C@H](CNC(=O)Cn2cnnn2)CC1 1060812774 FHBICWFDFILAOF-SRVKXCTJSA-N 319.369 -0.376 30 20 DBED C=CCOCC(=O)N1CC2(CCN(C(=O)CNC(N)=O)CC2)C1 1060951951 KFECGXZNKFXDCJ-UHFFFAOYSA-N 324.381 -0.692 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)CCn1cncn1 1061285278 HXUGLHDHRIYSJY-NWDGAFQWSA-N 320.353 -0.829 30 20 DBED C=CCCC(=O)NC[C@H]1COCCN1C(=O)[C@@H](C)CC(N)=O 1061402006 PUKGXGJVHVSMHW-RYUDHWBXSA-N 311.382 -0.192 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)CCn1ccnn1 1061848880 WFRNQAOSPJZDMN-NWDGAFQWSA-N 320.353 -0.829 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)[C@H]2CCC(=O)N2C)CCO1 1065496788 MMINEELVYAPBKI-QWHCGFSZSA-N 323.393 -0.083 30 20 DBED Cc1cc(CC(=O)NC[C@@H]2CN(C(=O)[C@@H](C)C#N)CCO2)n[nH]1 1065557846 WAXIYZUPCGOLTE-GXFFZTMASA-N 319.365 -0.236 30 20 DBED N#Cc1cnc(N2CCOC[C@H]2CNC(=O)c2nc[nH]n2)cn1 1066496218 YNEMTUXRBOTYNC-SNVBAGLBSA-N 314.309 -0.898 30 20 DBED C#CCNC(=O)CC(=O)N(C)CCCN(C)C(=O)c1ccon1 1066940542 OUWMAUVKSPQWBA-UHFFFAOYSA-N 320.349 -0.265 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)CCCN(C)C(=O)c1cnn(C)n1 1067427003 FJVHVAYYHYDQJL-LBPRGKRZSA-N 321.381 -0.226 30 20 DBED N#Cc1nccnc1N1C[C@H](CNC(=O)c2cc[nH]n2)[C@@H](O)C1 1067652155 WBQHXEHZYJMPCW-CABZTGNLSA-N 313.321 -0.702 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](CNC(=O)c3cncnc3)C2)cn1 1067664879 GVSVJZHOIMIUKR-IUODEOHRSA-N 324.344 -0.030 30 20 DBED C[C@H](Nc1nccnc1C#N)[C@H]1CN(C(=O)CC(N)=O)CCO1 1068227258 ILCREFGORYRQLY-GXSJLCMTSA-N 318.337 -0.749 30 20 DBED C=CCN1CCn2ncc(CNC(=O)[C@@H]3COC(=O)N3)c2C1 1069859259 MNGYEYXQOAEWDF-NSHDSACASA-N 305.338 -0.391 30 20 DBED Cn1cnc([C@@H]2CN(C(=O)Cc3cc[nH]n3)C[C@H]2NCC#N)c1 1070478352 WHHCEYVHWRKUBK-GXTWGEPZSA-N 313.365 -0.207 30 20 DBED C=CCN[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1c1cn(C)cn1 1070535883 RQFZEEMLCIOYCE-OWTLIXCDSA-N 317.393 -0.389 30 20 DBED N#CCN1C[C@H]2C[C@@H]3CN(C(=O)C[C@@H]4CCC(=O)N4)C[C@@]3(C1)O2 1070867176 HFGYGYSXLVCMRI-OQMKEHIESA-N 318.377 -0.520 30 20 DBED N#CCN1C[C@@H]2OC(=O)N([C@H]3CCN(C(=O)C(F)F)C3)[C@@H]2C1 1070899129 NXUSWVMBOLANQV-AEJSXWLSSA-N 314.292 -0.119 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)c2ncn(C)n2)CC1 1070961021 ILDWNEBYXOGQIQ-UHFFFAOYSA-N 306.370 -0.735 30 20 DBED CC#CCN1CCNC(=O)CCN(C(=O)[C@@H]2[C@H]3COC[C@H]32)CC1 1070986748 AKSIHMNHKYIIRE-FOLVSLTJSA-N 319.405 -0.447 30 20 DBED C#CCCN1CC[C@]2(C1)CN(C(=O)Cn1nccn1)C[C@@H](C)O2 1071173318 HCKOFRLBTKODIJ-ZBFHGGJFSA-N 317.393 -0.007 30 20 DBED C[C@H]1CN(C(=O)c2nnn(C)n2)C[C@@]2(CCN(CC#N)C2)O1 1071197138 NWSNHZDKZUIQQS-GWCFXTLKSA-N 305.342 -0.961 30 20 DBED C[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@]2(CCN(CC#N)C2)O1 1071197141 NWSNHZDKZUIQQS-ZWNOBZJWSA-N 305.342 -0.961 30 20 DBED C#CCCCC(=O)N[C@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1C 1071558115 VQMSUYOKUCZPSE-RYUDHWBXSA-N 304.354 -0.560 30 20 DBED C[C@H]1CN(C(=O)CSCC#N)C[C@H]1NC(=O)c1cn(C)nn1 1071662427 VEFSBUICTXBZFA-VHSXEESVSA-N 322.394 -0.351 30 20 DBED C=CCCOCC(=O)N[C@H]1CN(C(=O)c2cn(C)nn2)C[C@@H]1C 1072014225 NPRFSCULAWQHIK-RYUDHWBXSA-N 321.381 -0.016 30 20 DBED C[C@@H](C#N)C(=O)NC1(C)CCN(C(=O)CCNC(N)=O)CC1 1073017993 JSZYYVVSCPBLDC-JTQLQIEISA-N 309.370 -0.298 30 20 DBED Cn1c(C(=O)N2CC[C@H]3OCCN(CC#N)[C@H]3C2)cccc1=O 1074336555 RLKZZGLGFQVDDW-UONOGXRCSA-N 316.361 -0.176 30 20 DBED C=CCCC(=O)N[C@@H](C)CCNC(=O)CCS(=O)(=O)NC 1076515311 TXXUZVILYHUDHJ-NSHDSACASA-N 319.427 -0.097 30 20 DBED Cc1cc(NC(=O)C(=O)N2CC[C@H]3CN(CC#N)C[C@H]32)no1 1076565872 FOLWIWXGWSIWEO-WDEREUQCSA-N 303.322 -0.022 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)[C@@]2(C3CCCC3)CCNC2=O)C1 1077165644 WWFQYBPEAGOKSS-XJKCOSOUSA-N 320.393 -0.632 30 20 DBED C[C@@H](CCNC(=O)CC1CS(=O)(=O)C1)NC(=O)[C@H](C)C#N 1077208471 NSHJXPFROFOMIE-ZJUUUORDSA-N 315.395 -0.408 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)Cc2ccc(C(N)=O)nc2)C1 1077230574 QZYVPYDFXFGYNH-CHWSQXEVSA-N 304.350 -0.930 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2ccccc2-n2ccnn2)C1 1078283808 OZTQXCAQJMWLGT-UKRRQHHQSA-N 311.345 -0.325 30 20 DBED CCNC(=O)CC(=O)NC1(CO)CCN(C(=O)[C@@H](C)C#N)CC1 1080824460 NECDDLQDWNLUBV-NSHDSACASA-N 324.381 -0.858 30 20 DBED C=CCC(CC=C)C(=O)N1C[C@@H](O)[C@@H](CNC(=O)CC(N)=O)C1 1081368482 OEGATBHJJFFKSR-QWHCGFSZSA-N 323.393 -0.434 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H]1CN(C(=O)CC(C)C)C[C@H]1O 1081417351 SBGBQYIJKUHIAS-CHWSQXEVSA-N 323.393 -0.893 30 20 DBED Cc1nn[nH]c1C(=O)N1C[C@@H](O)[C@H](CNC(=O)C#CC2CC2)C1 1081474679 STLJMKWIBYBOIS-VXGBXAGGSA-N 317.349 -0.924 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2[nH]c(O)nc2C)C1 1081557156 YCLNWMSBRFDWBA-GHMZBOCLSA-N 322.365 -0.061 30 20 DBED C#CCCCC(=O)N1C[C@H](CNC(=O)Cc2cnc[nH]2)[C@@H](O)C1 1081800350 NKSFUBNGFZPNRD-JSGCOSHPSA-N 318.377 -0.309 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCCN2c2ncccn2)C1 1083539248 MSUQQPKXARVAMV-RDBSUJKOSA-N 315.377 -0.760 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCS(=O)(=O)C2)C1 1083617886 HJYMAYUASAQOBE-UTUOFQBUSA-N 302.396 -0.842 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2conc2C(F)(F)F)C1 1083645905 AVDPVBMRKINMPS-SFYZADRCSA-N 304.228 -0.008 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)Cn2nc(C)ccc2=O)C1 1083977206 ZLTBQCYTTHKKSB-OLZOCXBDSA-N 306.366 -0.711 30 20 DBED C#CCCN1CC[C@@H]2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@@H]21 1085031091 IETBIDVHYFFUDC-CBBWQLFWSA-N 319.405 -0.035 30 20 DBED COc1c(O)nc(O)nc1C(=O)N(C)C[C@@H]1CCN1CC#N 1085924016 MBIQVHKLYJILIF-QMMMGPOBSA-N 307.310 -0.434 30 20 DBED C=CCN[C@H]1C[C@@H](CNC(=O)[C@H]2CCN(C)S2(=O)=O)C1 1086223412 OSGZUHZSSACJMR-GRYCIOLGSA-N 301.412 -0.309 30 20 DBED N#CCN1C[C@H]2CC[C@H]1[C@@H]1CN(C(=O)Cn3ncnn3)C[C@H]21 1087358938 ONAORGRHUMTFOC-LPWJVIDDSA-N 301.354 -0.635 30 20 DBED CC#CCN1CC[C@@H](NC(=O)Cn2cc(C3CC3)nn2)[C@@H](O)C1 1090319589 QZIWOXNSBNKFRA-HIFRSBDPSA-N 317.393 -0.270 30 20 DBED N#CCN1CC[C@H](NC(=O)c2cnn3ccncc23)[C@@H](O)C1 1090328090 XYYQHMZQYLXLSZ-AAEUAGOBSA-N 300.322 -0.582 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2cn(C)c(C)cc2=O)[C@H](O)C1 1090341975 MPVPWZSSNPCFBX-GOEBONIOSA-N 317.389 -0.118 30 20 DBED N#Cc1ccc(NCCNC(=O)C(=O)NCC(F)(F)F)nn1 1093810914 ZKVGHAQPOUBIOD-UHFFFAOYSA-N 316.243 -0.445 30 20 DBED C[C@@]1(C(=O)NCCCN=c2cc[nH]cc2C#N)CCC(=O)N1 1094765742 YUBKMEADGCDHQA-HNNXBMFYSA-N 301.350 -0.038 30 20 DBED CNC(=O)NCC(=O)N1CC[C@@H](Nc2nccnc2C#N)C1 1095084969 FUPCNLKUOCBSIC-SECBINFHSA-N 303.326 -0.710 30 20 DBED CCNC(=O)CC(=O)NC1CCN(c2nccnc2C#N)CC1 1095412484 YGEDTDJDZKBDMO-UHFFFAOYSA-N 316.365 -0.041 30 20 DBED COC(=O)NCC(=O)NCCCN(C)c1cncc(C#N)n1 1095483989 PTAKGDRFLJLYLG-UHFFFAOYSA-N 306.326 -0.353 30 20 DBED CO[C@H](C)C(=O)NCCN1CCN(c2ccnc(C#N)n2)CC1 1096270590 AYXBZBVCLGOJKN-GFCCVEGCSA-N 318.381 -0.379 30 20 DBED CNC(=O)NCC(=O)N[C@H]1CCN(c2ccc(C#N)c(C)n2)C1 1096493515 UITDFZGWEMWUIF-LBPRGKRZSA-N 316.365 -0.114 30 20 DBED CS(=O)(=O)CC(=O)NC[C@H](N=c1cc[nH]c(C#N)n1)C1CC1 1096610952 GETIELRNFVAROE-JTQLQIEISA-N 323.378 -0.879 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H](CNC(=O)[C@H]1CCNC1=O)C1CC1 1096783511 LFSYSMJWEULMKE-JSGCOSHPSA-N 313.361 -0.182 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CCNC(=O)C1)Nc1ccc(C#N)nn1 1097773632 IIDCARBYIGOXPH-VHSXEESVSA-N 302.338 -0.209 30 20 DBED Cc1ncnc(O)c1C(=O)NC[C@H](C)N=c1cc[nH]c(C#N)n1 1098229512 UIJOXNMYBIFANP-QMMMGPOBSA-N 313.321 -0.195 30 20 DBED C=C(C)CNCc1cn([C@@H]2CCN(C(=O)CC(=O)NC)C2)nn1 1098659446 PLNHDHWUVZOQSR-CYBMUJFWSA-N 320.397 -0.147 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)CCOCC)[C@@H](O)C1 1099730203 SIKHWXLVBFESKU-OLZOCXBDSA-N 313.398 -0.733 30 20 DBED C#CCN1CC[C@H](NC(=O)CNC(=O)c2ccoc2)[C@@H](O)C1 1099847171 IHRCWENVFHYPHK-STQMWFEESA-N 305.334 -0.806 30 20 DBED N#CCN1CC[C@@H](NC(=O)CCCCN2CCOCC2)[C@H](O)C1 1100035215 YSVDJOZHXUNBGE-HUUCEWRRSA-N 324.425 -0.436 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)Cc2ncc[nH]2)[C@H](O)C1 1100047908 CFBQGAFTMFVTMZ-CHWSQXEVSA-N 308.382 -0.294 30 20 DBED C#CCCNC1CC(CNC(=O)CNS(=O)(=O)CC)C1 1100379783 BKXOGZQHUAFYDN-UHFFFAOYSA-N 301.412 -0.567 30 20 DBED CCN(CCNC(=O)CNC(=O)NC)c1ccc(C#N)cn1 1100750329 RYQNKBUBAJAAAF-UHFFFAOYSA-N 304.354 -0.175 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CN(C(=O)[C@H](O)C(C)C)C[C@]2(C)C1 1101221532 VVTSEFSFTKYLNM-UNEWFSDZSA-N 321.421 -0.467 30 20 DBED Cc1noc(CCC(=O)N(C)CCN=c2cc[nH]c(C#N)n2)n1 1101891464 MXQNDRFBMZPSKW-UHFFFAOYSA-N 315.337 -0.035 30 20 DBED C=CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)c2ncn(C)n2)C1 1101937293 ZMGRLTNTQJIKNO-VXGBXAGGSA-N 320.397 -0.585 30 20 DBED COCC#CCN1C[C@@H](C)[C@H](CNC(=O)C[C@@H]2CCC(=O)N2)C1 1102462596 YRIPKFAYAWVPOD-KFWWJZLASA-N 321.421 -0.011 30 20 DBED CCN(C(=O)C(N)=O)[C@@H]1CCN(c2nc(C)cc(C#N)n2)C1 1102832958 DCWHEXQIMZWMBX-LLVKDONJSA-N 302.338 -0.431 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H](CC)Nc1ccc2nnnn2n1 1103197623 FBZLXUCDSLEZST-WDEREUQCSA-N 317.353 -0.136 30 20 DBED N#Cc1ccc(N2CCC(CCNC(=O)C(N)=O)CC2)nn1 1103699845 ZHAKNYKTZRLAKJ-UHFFFAOYSA-N 302.338 -0.444 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)CNc1ncccc1C#N 1104184370 XNJWCAKWXASPRI-KOLCDFICSA-N 302.338 -0.201 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)c1cnc(O)n1C 1104766617 NQZWFPPRAWNCJF-VIFPVBQESA-N 315.337 -0.218 30 20 DBED C=CCCNCc1cn(C2CN(C(=O)Cn3cnnn3)C2)nn1 1105152845 KATWOCIKVUPPGJ-UHFFFAOYSA-N 317.357 -0.986 30 20 DBED C=CCNCc1cn(C2CN(C(=O)[C@@H]3CCNC3=O)C2)nn1 1105297262 KKHCTBFDPHNNJY-GFCCVEGCSA-N 304.354 -0.927 30 20 DBED CN(CCN(C)c1ccncc1C#N)C(=O)Cn1cnnc1O 1105387953 QXAGMTRLQAUBDV-UHFFFAOYSA-N 315.337 -0.155 30 20 DBED Cc1ncc(C(=O)NC[C@H](O)CN=c2cc[nH]c(C#N)n2)[nH]1 1105750155 HRTJGJYGGWHLSY-SECBINFHSA-N 301.310 -0.996 30 20 DBED CC(=O)N1CC(C(=O)NC[C@@H](O)CNc2ccc(C#N)cn2)C1 1105795930 JGQLUSNWXGCICA-ZDUSSCGKSA-N 317.349 -0.679 30 20 DBED N#Cc1cnc(NC[C@H](O)CNC(=O)c2ccnc(O)c2)cn1 1105816547 GTZTYRFSWWCKEL-NSHDSACASA-N 314.305 -0.348 30 20 DBED Cc1cc(=NC[C@@H](O)CNC(=O)Cn2ccnc2)c(C#N)c[nH]1 1105882376 FWZUDIAAEBZBGZ-CYBMUJFWSA-N 314.349 -0.531 30 20 DBED Cc1ccc(C#N)c(NC[C@H](O)CNC(=O)[C@@H](C)CC(N)=O)n1 1106060215 QBHNWZOIOBEPSO-CABZTGNLSA-N 319.365 -0.338 30 20 DBED N#Cc1cncc(NC[C@@H](O)CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)n1 1106110072 FSOTYCFQWLPKKT-LPWJVIDDSA-N 317.349 -0.195 30 20 DBED CN1CCCC[C@@H]1C(=O)NC[C@@H](O)CNc1ccc(C#N)nn1 1106165573 RSXJQRAGFUXJHS-QWHCGFSZSA-N 318.381 -0.278 30 20 DBED Cn1cc(C(=O)NC/C=C\CN=c2cc[nH]c(C#N)n2)nc1O 1107486738 VCUMBEBWDJTJCD-IHWYPQMZSA-N 313.321 -0.393 30 20 DBED CSC[C@H](C)C(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1 1108522084 MWJHWKCHRZUGHF-QWRGUYRKSA-N 310.423 -0.090 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)[C@@H](CCC)OC)CC2=O)C1 1108560922 PWMAOUXYCWZSOS-TZMCWYRMSA-N 307.394 -0.164 30 20 DBED C[C@@H](CN(C)c1ccc(C#N)nn1)NC(=O)[C@H]1COC(=O)N1 1108927707 XIUZFGMMJGFMFQ-WCBMZHEXSA-N 304.310 -0.602 30 20 DBED C[C@H](CN(C)c1nccnc1C#N)NC(=O)Cn1cnnc1O 1108944336 AOCJSBYUYJBNAF-SECBINFHSA-N 316.325 -0.714 30 20 DBED C[C@H](CN(C)c1ccncc1C#N)NC(=O)Cn1ncnn1 1109116742 MXHNSWYXCISDPG-SNVBAGLBSA-N 300.326 -0.419 30 20 DBED C[C@@H](CN(C)c1ccc(C#N)cn1)NC(=O)[C@@H]1CNC(=O)N1 1109210612 DIGMAWNPUWAOLJ-ONGXEEELSA-N 302.338 -0.424 30 20 DBED CNC(=O)NCC(=O)N[C@@H](C)CN(C)c1ncc(C#N)cc1F 1109287519 NDUMUXVMYXXGNM-VIFPVBQESA-N 322.344 -0.038 30 20 DBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cc1ncc[nH]1 1109881485 WAFQCMIGYSFHOO-AGIUHOORSA-N 317.393 -0.024 30 20 DBED CSCC(=O)NC[C@@]1(O)CCN(c2ccnc(C#N)n2)C1 1111031208 DFIRADBWYVDFNE-ZDUSSCGKSA-N 307.379 -0.231 30 20 DBED N#Cc1nccnc1NCCN(CCO)C(=O)c1cc[nH]n1 1111426855 NBMGBWIJPUNUDB-UHFFFAOYSA-N 301.310 -0.382 30 20 DBED N#Cc1ccc(NCCN(CCO)C(=O)c2ncccn2)nn1 1111500937 BSJXOFNUBBWMSF-UHFFFAOYSA-N 313.321 -0.315 30 20 DBED CSCC(=O)NC[C@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1112698496 XEFJQGIDKDLRKT-ONGXEEELSA-N 307.379 -0.375 30 20 DBED C[C@H](NC(=O)Cn1nccn1)[C@H](C)Nc1cncc(C#N)n1 1113173069 JAKWPJFTVKNMNK-UWVGGRQHSA-N 300.326 -0.055 30 20 DBED C[C@H](Nc1cncc(C#N)n1)[C@@H](C)NC(=O)c1nnn(C)n1 1113259761 WBNHOTYIIGFAKV-JGVFFNPUSA-N 301.314 -0.509 30 20 DBED COCC#CCN1CCN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)CC1 1113349048 LYGXREWHHPEAIM-KGLIPLIRSA-N 307.394 -0.495 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)Cc2cncn2C)CC1 1113538555 UWEHCOOXCDPASG-CYBMUJFWSA-N 317.393 -0.755 30 20 DBED C[C@H](CNC(=O)Cn1cnnc1O)N(C)c1ccc(C#N)nn1 1113569221 VEKYYHDWAZAGNT-SECBINFHSA-N 316.325 -0.714 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)c3cncc(F)c3)[C@@H]2C1 1114125735 OENOOBRAFGIOLZ-CHWSQXEVSA-N 316.336 -0.370 30 20 DBED CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3c[nH]c(C#N)c3)[C@H]2C1 1114148927 MQXUHAQFCAKAJM-IMRBUKKESA-N 301.350 -0.318 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)CCn3ccnn3)[C@H]2C1 1114187453 VUFXUSYMFVVOJE-RYUDHWBXSA-N 318.381 -0.983 30 20 DBED C#CCOCCC(=O)NC1[C@@H]2CN(CC(=O)N3CCC3)C[C@@H]12 1114266842 XVNJCHUJPLDIQF-CHWSQXEVSA-N 305.378 -0.695 30 20 DBED CC#CCN1C[C@H]2[C@H](NC(=O)[C@@H](CCC)S(N)(=O)=O)[C@H]2C1 1114621952 UKDPNSWTJZPKIH-XQHKEYJVSA-N 313.423 -0.487 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)Cc3cnc[nH]3)[C@@H]2C1 1114889894 ZUTGQLSRGABOIO-CYZMBNFOSA-N 317.393 -0.311 30 20 DBED Cc1n[nH]c(C)c1C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1114978106 OQMVSVNDPZGGAW-YABSGUDNSA-N 316.365 -0.674 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)c3ccc(OC)nn3)[C@@H]2C1 1115069012 WOCPCVUOHICFNM-VXGBXAGGSA-N 316.361 -0.205 30 20 DBED C[C@H](CN(C)C(=O)CS(C)(=O)=O)Nc1cnc(C#N)cn1 1115632651 RMVGBPLXXJSCDK-SECBINFHSA-N 311.367 -0.348 30 20 DBED C[C@H](CN(C)C(=O)[C@H]1CN(C)CCO1)N=c1cc[nH]cc1C#N 1115664299 MRXBMLVXPKHJRV-IUODEOHRSA-N 317.393 -0.035 30 20 DBED C[C@@H](CN(C)C(=O)CN1CCOCC1)N=c1cc[nH]cc1C#N 1115679260 ZIRPBRXFUHKCLF-ZDUSSCGKSA-N 317.393 -0.034 30 20 DBED O=C(CCN/C(O)=C1\N=CC=CC1=O)NCCn1cccn1 1116175122 YOPZKJZMRWIMQL-BUHFOSPRSA-N 303.322 -0.084 30 20 DBED C=C(C)COCCNC(=O)C(=O)NCc1nnc2n1CCC2 1117005437 ZNFVJSFRPIBHJT-UHFFFAOYSA-N 307.354 -0.451 30 20 DBED C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)NCC(=O)NCC#N 1117478577 XZSITIRQPNINHL-IUCAKERBSA-N 304.372 -0.911 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2CC[C@@](O)(CC)C2)C1=O 1117963225 NUAGQIPDCFEOOZ-WBMJQRKESA-N 323.393 -0.395 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N1CCN([C@@H]2CCOC2)CC1 1118508822 LGZGWKXJICWSGK-OAHLLOKOSA-N 317.389 -0.595 30 20 DBED C[C@@H](CC#N)N(C)C(=O)C(=O)c1cc(S(N)(=O)=O)cn1C 1118563285 PWSHQSTVDBUYCK-QMMMGPOBSA-N 312.351 -0.384 30 20 DBED C[C@H](CN(C)C(=O)Cc1nc[nH]n1)Nc1cncc(C#N)n1 1120067281 DQKBGUQTMXGLHA-SECBINFHSA-N 300.326 -0.032 30 20 DBED Cn1cccc1C(=O)NC[C@@H](CO)Nc1cnc(C#N)cn1 1121068484 YTRVQDCTSFLQQR-NSHDSACASA-N 300.322 -0.110 30 20 DBED Cc1nc(C(=O)NC[C@@H](CO)Nc2cnc(C#N)cn2)co1 1121372075 UJPJTGCJLUCLNO-JTQLQIEISA-N 302.294 -0.153 30 20 DBED N#Cc1cncc(N[C@@H](CO)CNC(=O)Cn2ccnc2)n1 1121718855 RGXAZYZYMJWZBF-LLVKDONJSA-N 301.310 -0.866 30 20 DBED C=CC(C)(C)C(=O)NC[C@@H](CO)Nc1ncnc2c1nnn2C 1122310302 NMVSZTCZMSOKFH-VIFPVBQESA-N 319.369 -0.141 30 20 DBED CN(C[C@H](O)CNc1cncc(C#N)n1)C(=O)c1cn[nH]c1 1124179953 MLQDFHLDCMSUCQ-LLVKDONJSA-N 301.310 -0.384 30 20 DBED C#CCNC(=O)CC(=O)N(C)C[C@H](O)CNc1ccnc(C)n1 1124315615 YRCYRIKLXPCETH-GFCCVEGCSA-N 319.365 -0.844 30 20 DBED CN(C[C@@H](O)CNc1ncccc1C#N)C(=O)C(C)(C)C(N)=O 1124553647 AOVSTVYRPZFWFZ-NSHDSACASA-N 319.365 -0.304 30 20 DBED COC[C@@H](OC)C(=O)N(C)C[C@H](O)CNc1ccc(C#N)nc1 1124722091 USCZBIGSVONTIK-ZIAGYGMSSA-N 322.365 -0.154 30 20 DBED CN(C[C@@H](O)CN(C)c1ccc(C#N)cn1)C(=O)c1nc[nH]n1 1125139333 IWFFRXOANOPTBU-NSHDSACASA-N 315.337 -0.359 30 20 DBED CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)c1cc(C#N)c[nH]1 1125385207 IYOQUOXDGSVJRW-SECBINFHSA-N 320.353 -0.560 30 20 DBED N#Cc1cc(C(=O)NCCNCC(=O)N2CCOCC2)c[nH]1 1125988449 XBDXKXCOZVKKCA-UHFFFAOYSA-N 305.338 -0.935 30 20 DBED CO[C@@H](C)C(=O)N(C)CCOCCN=c1cc[nH]c(C#N)n1 1127185415 UKPXLIYKYYRHDE-NSHDSACASA-N 307.354 -0.308 30 20 DBED C#CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H](C)OCC#C)C1 1128989213 MSMKPAQPTDGVOR-ZNMIVQPWSA-N 315.377 -0.319 30 20 DBED C=CCCN[C@@H]1CN(C(=O)[C@@H]2COCCO2)C[C@@H]1n1ccnn1 1129594188 IIWHICSYSDIOBE-RDBSUJKOSA-N 321.381 -0.389 30 20 DBED C#CCCN[C@@H]1CN(C(=O)CCN(C)C)C[C@@H]1n1ccnn1 1129992151 NNKNBMDUGUFLIO-KGLIPLIRSA-N 304.398 -0.405 30 20 DBED C=C(C)CN1CCNC(=O)CCN(C(=O)CCCC(N)=O)CC1 1131399639 WLJDOMGCYIRFFK-UHFFFAOYSA-N 324.425 -0.131 30 20 DBED C#CCNC(=O)CNC[C@H]1CN(C(=O)c2cn[nH]c2)CC[C@@H]1C 1132658749 KJFRAVNVKWCRKK-JSGCOSHPSA-N 317.393 -0.153 30 20 DBED C#CCNC[C@H]1CN(C(=O)CN2C(=O)CN(C)C2=O)CC[C@@H]1C 1133305818 GGJVKPJTCQIDGQ-STQMWFEESA-N 320.393 -0.412 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)CSCC#N 1133736213 LWUZZENUXLTISJ-NEPJUHHUSA-N 310.423 -0.135 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)c1cc2ncccn2n1 1135586888 BBEGUYPEWLASLT-LLVKDONJSA-N 316.365 -0.261 30 20 DBED Cc1cc(C(=O)N2CC3(CCN(CC(=O)NCC#N)C3)C2)no1 1146957855 CLTTUVOBKUADIV-UHFFFAOYSA-N 317.349 -0.229 30 20 DBED C=CCN1CCC(CCOC)(NC(=O)c2nnn(C)n2)CC1 1151242267 MMQHOSPAMIVIEG-UHFFFAOYSA-N 308.386 -0.003 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)CCOCC#C 1153302907 XDCFOJBKLORLOW-CQSZACIVSA-N 307.394 -0.398 30 20 DBED C=CCNC(=O)CN(CC)[C@H](C)CNC(=O)c1cnn(C)n1 1155807525 VZQGICAFOYNFHB-LLVKDONJSA-N 308.386 -0.443 30 20 DBED C#CCN(C)C[C@H]1CCCCN1C(=O)CN1CCC(=O)NC1=O 1158709906 WSPWSKSTZRQRRY-CYBMUJFWSA-N 320.393 -0.126 30 20 DBED C=CCCn1cc(C(=O)NCCCNCc2cnn(C)n2)nn1 1167991272 LMTHUXFYSNVZSU-UHFFFAOYSA-N 318.385 -0.108 30 20 DBED C=CCNC(=O)NC(=O)CNCCCNC(=O)c1ccn(C)n1 1176079770 DZCRUILIAOAQCL-UHFFFAOYSA-N 322.369 -0.859 30 20 DBED CNC(=O)NCCC(=O)N1CC[C@@H]2OCCN(CC#N)[C@H]2C1 1177001752 WKDJRAGNKVSKIS-RYUDHWBXSA-N 309.370 -0.869 30 20 DBED C=CCNC(=O)NC(=O)CN[C@H]1CCN(C(=O)COC)[C@H]1C 1177973421 VQKNQQSBEYZIEQ-QWRGUYRKSA-N 312.370 -0.776 30 20 DBED C#CCNC(=O)CNCCCCCCNC(=O)Cn1cncn1 1180220112 LKCWHMFBMFICJW-UHFFFAOYSA-N 320.397 -0.706 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H](C)OCCC=C)C1 1181469406 MZCLFXYTQFAJNG-ZIAGYGMSSA-N 307.394 -0.093 30 20 DBED Cc1ncn(C)c1C(=O)N1CC[C@@H](NCC(=O)NCC#N)C1 1183450343 PQJLPFOBCYFRFU-LLVKDONJSA-N 304.354 -0.828 30 20 DBED COCC(=O)N(C)CC(=O)N1CC[C@H](CNCC#N)[C@@H](C)C1 1184534042 ISAOLTVSMVPJSY-QWHCGFSZSA-N 310.398 -0.311 30 20 DBED N#CCNC[C@H]1CN(C(=O)[C@@H]2CCC(=O)N2)CC12CCOCC2 1186561277 VKEMVBHVVJKLIO-STQMWFEESA-N 320.393 -0.367 30 20 DBED C#CCN(C)[C@H]1CCN(C(=O)[C@@H](C)NS(=O)(=O)CC)C1 1190288661 BKNMEFAYISSLLM-NEPJUHHUSA-N 301.412 -0.520 30 20 DBED N#CCSCC(=O)N[C@@H]1CN(CC[C@@H]2CCOC2)C[C@H]1O 1191161630 FMUIPELQRCQESR-JHJVBQTASA-N 313.423 -0.169 30 20 DBED CCCCn1nnnc1CN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)C#N)C1 1191882686 VSIQIAXZFWOVIT-QJPTWQEYSA-N 321.385 -0.706 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(Cc2cnns2)C[C@H]1O 1192530881 QQDOZSUAHZDFPH-WZRBSPASSA-N 312.395 -0.474 30 20 DBED CCN(CC)S(=O)(=O)CC(=O)N1CC[C@@H](N(C)CC#N)C1 1192631698 HXPAYPMZGNGOMV-GFCCVEGCSA-N 316.427 -0.286 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)C[C@@H](C)NC(N)=O)C1 1192940610 PYGCDGOTIXMGEW-OPRDCNLKSA-N 304.778 -0.653 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)C(C)(C)CN2CCOCC2)C1 1194102220 FFPXLUWDEWKDGS-HUUCEWRRSA-N 323.437 -0.471 30 20 DBED C#CCNC(=O)[C@H](C)N1CCCN(C(=O)[C@H](C)COC)CC1 1195267479 KFNPHTZHQRXOJU-KGLIPLIRSA-N 309.410 -0.059 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)C2(C)CCC2)C1 1195302071 YOFCDLLBJHMXMK-JHJVBQTASA-N 307.394 -0.524 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)C[C@@H]2COC(=O)C2)CC1 1195481180 VCIPJCXLIOEHFJ-ZDUSSCGKSA-N 321.377 -0.777 30 20 DBED C#CCNC(=O)CC(=O)N1CCCN(Cc2cnsn2)CC1 1195534491 AWCXDTAPHGZCSC-UHFFFAOYSA-N 321.406 -0.288 30 20 DBED CCCC1(C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@H]2O)CC1 1195989700 AFIUSTCPPKOMFW-VXGBXAGGSA-N 308.382 -0.632 30 20 DBED C#CCNC(=O)[C@H](C)N1CCCN(C(=O)CN(C)C(C)C)CC1 1198259907 UDSWVUVRLGGWJF-HNNXBMFYSA-N 322.453 -0.001 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)[C@@H]2CCCOC2)CC1 1199697815 FUOLLCAROGYERR-CYBMUJFWSA-N 307.394 -0.257 30 20 DBED C#CCNC(=O)[C@H](C)NC1CCN(C(=O)[C@@H]2CCCN2C)CC1 1199787726 CUUTUENHFKGQLP-ZFWWWQNUSA-N 320.437 -0.201 30 20 DBED C#CCNC[C@@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)CCCO1 1200796524 ZNPTWIRAWKXCAK-RBSFLKMASA-N 309.410 -0.454 30 20 DBED C#CCCNC[C@H]1CN(C(=O)C(=O)NCC2CC2)CCCO1 1201741045 QLVBBFHTQPMUMQ-AWEZNQCLSA-N 307.394 -0.257 30 20 DBED CO[C@@H](C(=O)N1CCC(NCC(=O)NCC#N)CC1)C(C)C 1202322349 GGAVCVDPLUTVOU-CQSZACIVSA-N 310.398 -0.122 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)C2(C(=O)NC)CC2)CC1 1202918444 GQYCFQAOBYOQNX-UHFFFAOYSA-N 322.409 -0.605 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)C[C@@](C)(O)C2CC2)[C@H](C)C1 1206883702 MHQLXWAWTLBACQ-SUYBPPKGSA-N 321.421 -0.277 30 20 DBED COC[C@@H](O)CN[C@H]1CCCN(C(=O)CSCC#N)C1 1207409421 DZRBAQJDWYEJGF-RYUDHWBXSA-N 301.412 -0.169 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCCN(C(=O)c2cc[nH]n2)C1 1207418281 BNVRMPRHPVISRW-RYUDHWBXSA-N 303.366 -0.258 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)Cc2cncs2)[C@H](C)C1 1207648342 WATBHZIHLWPEJW-DGCLKSJQSA-N 320.418 -0.129 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)c2ccc(C)nn2)C1 1208005886 QTHGKJSCZCQDDL-ZDUSSCGKSA-N 315.377 -0.271 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC[C@H](NCC(=O)NC(=O)NC)C1 1208018968 WXJRRTKTFPYMMQ-NEPJUHHUSA-N 324.381 -0.939 30 20 DBED COCC#CCN[C@@H]1CCCN(C(=O)CN2CCOCC2=O)C1 1208344061 VUJKIGCOGGPOAL-CQSZACIVSA-N 323.393 -0.924 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@]2(F)CCOC2)C1 1209242924 QVITXQKMALRTEN-RISCZKNCSA-N 312.345 -0.665 30 20 DBED CN(C)CCCC(=O)N1CCC[C@H](NCC(=O)NCC#N)C1 1209314457 IZWWKCPYTNAIRB-ZDUSSCGKSA-N 309.414 -0.451 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCCN(C(=O)c2nc[nH]n2)C1 1210205967 IDDLKSRKGVNIBB-QWRGUYRKSA-N 304.354 -0.863 30 20 DBED C=CCCN1C[C@@H](NC(=O)CN(C)S(C)(=O)=O)[C@H](OC)C1 1212358973 DIXDWVSGVRVLCG-VXGBXAGGSA-N 319.427 -0.731 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@H](C)Cc1cnn(C)c1 1213644779 CTQANDURLZTTGF-MRVWCRGKSA-N 305.382 -0.062 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2cccc(C)c2)C1 1219123178 UBWVAVUTPWNDNI-CABCVRRESA-N 315.373 -0.481 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2snnc2C)C[C@@H]1O 1219605123 JRJNMJWOLBUEOP-UTUOFQBUSA-N 324.406 -0.454 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)Cn2ccnc2C)C1 1220979076 DGIRTVRMPHJRQX-KGLIPLIRSA-N 308.382 -0.445 30 20 DBED CCO[C@H](CC)C(=O)N1C[C@H]2CCN(CC(=O)NCC#N)C[C@H]21 1221372025 IPYNTMJBKLTGFD-MGPQQGTHSA-N 322.409 -0.026 30 20 DBED N#CCNC(=O)CN1CCC(CNC(=O)[C@H]2CCOC2)CC1 1222543904 RWJTWFFNQIWYKM-ZDUSSCGKSA-N 308.382 -0.509 30 20 DBED C=CCNC(=O)CN1CC[C@@H]2CCN(C(=O)c3cnon3)C[C@@H]21 1223717020 VFLJDMRPYBIRSF-YPMHNXCESA-N 319.365 -0.092 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)[C@@H]2C[C@H](C)CO2)CC1 1223854294 GFXXKKOLKOCCTR-ZFWWWQNUSA-N 321.421 -0.011 30 20 DBED CC#CCCCC(=O)NC1CCN(CC(=O)NC(N)=O)CC1 1228770810 VDTRFYFRFFELNZ-UHFFFAOYSA-N 308.382 -0.045 30 20 DBED CN(C[C@H]1CCN1CC(=O)NCC#N)C(=O)c1cnn(C)c1 1230738705 IWLJWYJHLBHCHH-GFCCVEGCSA-N 304.354 -0.794 30 20 DBED C=CCNC(=O)CN(C)CCCNC(=O)CNC(=O)CCC 1234925424 WWPNUDTYTBOZMR-UHFFFAOYSA-N 312.414 -0.357 30 20 DBED Cn1ccc(C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)c1 1263291171 OHSAJNLIGNYOKY-LLVKDONJSA-N 309.347 -0.395 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@H](NC(=O)c2ccnc(C)n2)C1 1267734363 FNOPZJJUSNZEIS-AAEUAGOBSA-N 315.377 -0.273 30 20 DBED N#CCN1CCC(CNC(=O)C[C@@H]2SC(=N)NC2=O)CC1 1319136552 DLTWSRUKBUVPQY-JTQLQIEISA-N 309.395 -0.105 30 20 DBED N#CCn1cc(NC(=O)C(=O)N[C@H]2CC(=O)N(C3CC3)C2)cn1 1319359242 QAPMYXYAIJTSLB-VIFPVBQESA-N 316.321 -0.775 30 20 DBED C=CCS(=O)(=O)CCNC(=O)NC[C@@H](C)S(C)(=O)=O 1320130243 BZTKGPDHYHBCCP-SECBINFHSA-N 312.413 -0.681 30 20 DBED C=CC[C@H](CO)CNC(=O)C1CCN(S(=O)(=O)NC)CC1 1321862426 VJKLSFPQFFCUJP-NSHDSACASA-N 319.427 -0.537 30 20 DBED C#C[C@@H](C)N(C)C(=O)C(=O)Nc1ncn(CC(=O)OCC)n1 1325950024 ZYMPQQHONURKCC-SECBINFHSA-N 307.310 -0.740 30 20 DBED C#CCOCCNC(=O)C(=O)N(CC)[C@H](C)CS(C)(=O)=O 1326803922 MHYHVQYPLYAJQG-LLVKDONJSA-N 318.395 -0.966 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N[C@H](C)c1ncn(C)n1 1331024982 ZECWOXQQLYQZLC-LLVKDONJSA-N 307.354 -0.509 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCNC2)CCN1C1CC1 1331185140 IJXBLGPOFGRAMP-WCQYABFASA-N 305.382 -0.947 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)NCCc1cnn(C)c1 1332738619 MPRBILZDUMECJI-ZDUSSCGKSA-N 306.366 -0.377 30 20 DBED C=CCOCCNC(=O)C(=O)N1CC[C@@H]2COC(=O)N[C@H]2C1 1333181398 HOXYABRHCMVCPJ-MNOVXSKESA-N 311.338 -0.738 30 20 DBED C[C@@H]1COC[C@H]1NC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1333740560 KQENLUOZFJLLIX-KGYLQXTDSA-N 306.366 -0.664 30 20 DBED C#CCN(CC(=O)NCCCN(C)S(C)(=O)=O)CC1CC1 1341067750 UUJQBZGXISGRKW-UHFFFAOYSA-N 315.439 -0.271 30 20 DBED C#CCOCCn1nnnc1N1CCC(N2CCNC2=O)CC1 1344584696 SWVFNONENQHPMA-UHFFFAOYSA-N 319.369 -0.683 30 20 DBED C[C@@]1(O)CCN(C(=O)C(=O)NCCNc2ncccc2C#N)C1 1345022949 RNYBHTIZCUZDCI-OAHLLOKOSA-N 317.349 -0.535 30 20 DBED CN1C(=O)CC[C@@H](NC(=O)C(=O)N2CCC(C)(C#N)CC2)C1=O 1345710861 BNMBOSJZGREYGP-SNVBAGLBSA-N 320.349 -0.598 30 20 DBED C#CCOCCN(C)C(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1 1347683292 QEMQRUQODSDKER-LBPRGKRZSA-N 304.350 -0.119 30 20 DBED CC(=O)OC(C)(C)C(=O)NCCn1cc(C#N)c(O)nc1=O 1362998152 CQEIUWGQTASDJM-UHFFFAOYSA-N 308.294 -0.722 30 20 DBED C[C@H](CC(N)=O)C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N 1363503980 MLYJRRJMEWAIDV-MRVPVSSYSA-N 306.326 -0.432 30 20 DBED Cc1cc(NC(=O)NC[C@H](O)Cn2ccnn2)nn1CCC#N 1364324976 PXQCBWZRUKIEMJ-NSHDSACASA-N 318.341 -0.121 30 20 DBED N#CCC1(CS(=O)(=O)N2CCN(c3nc[nH]n3)CC2)CC1 1365734745 OEQXAIPDKYUURW-UHFFFAOYSA-N 310.383 -0.050 30 20 DBED CNC(=O)c1cccc(C(=O)NC[C@@H](C)NC(=O)[C@@H](C)C#N)n1 1373021350 NLGKQPLZNQNICW-VHSXEESVSA-N 317.349 -0.165 30 20 DBED C=C(Cl)CN[C@H](C)CN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 1379239084 ZPCYUBJCLLGVLX-BDAKNGLRSA-N 302.762 -0.227 30 20 DBED C[C@@H](C#N)C(=O)N(C)CC(C)(C)CNC(=O)[C@H]1C[C@H]1C(N)=O 1411467699 RRGQDPKUMOADSQ-AXFHLTTASA-N 308.382 -0.132 30 20 DBED C[C@H](CNC(=O)c1cnnn1C)N(C)C(=O)c1ccc(C#N)[nH]1 1411538407 CZTMNIPGUINTDF-SECBINFHSA-N 315.337 -0.095 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H]1CNC(=O)CS(C)(=O)=O 1416408711 MONLKTKMAZZXCQ-VHSXEESVSA-N 301.368 -0.702 30 20 DBED C[C@@H](CNC(=O)[C@@H](C)C#N)NC(=O)c1cnn(CCN(C)C)c1 1416916413 ZZGDSIFVGWWYMG-RYUDHWBXSA-N 320.397 -0.161 30 20 DBED C[C@H](C#N)C(=O)NCCN1CCN(CCc2ccnn2C)CC1 1417919345 YNNIDKOBAOLZPY-CQSZACIVSA-N 318.425 -0.144 30 20 DBED Cn1cc(C(=O)NC[C@H](O)CNC(=O)c2cc(C#N)c[nH]2)cn1 1431485699 BCNNLHJBIRXOFS-NSHDSACASA-N 316.321 -0.859 30 20 DBED Cc1ccncc1CC(=O)NC[C@H](O)CNC(=O)[C@@H](C)C#N 1433326030 YAYWUOGDOUNZMV-AAEUAGOBSA-N 304.350 -0.315 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCN(C)CCCS(=O)(=O)N(C)C 1438862623 GOPTXVOZTNOWEN-LBPRGKRZSA-N 318.443 -0.182 30 20 DBED N#Cc1ccc(C(=O)NC[C@@H](O)CNC(=O)COCC2CC2)[nH]1 1452303067 YYPBIMDMTJFYDK-LBPRGKRZSA-N 320.349 -0.480 30 20 DBED COCc1ccc(C(=O)NC[C@H](O)CNC(=O)[C@H](C)C#N)o1 1452383361 KHANVVLHIWOXSU-NXEZZACHSA-N 309.322 -0.207 30 20 DBED C[C@@H](CNC(=O)[C@@H](C)C#N)NC(=O)CNC(=O)c1ccccn1 1454728564 CREGQFIFVYPOEJ-QWRGUYRKSA-N 317.349 -0.408 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1C[C@@H](NC(=O)[C@H]2CN(C)CCO2)C1 1489845967 MNCXDVAMMYLVRX-WUHRBBMRSA-N 308.382 -0.512 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C)Cc1nnnn1CC(F)(F)F 1492217264 NDRQWBFPRRZLPA-QMMMGPOBSA-N 319.291 -0.057 30 20 DBED C[C@H](C#N)C(=O)NCCN(C)C(=O)C[C@H]1CCS(=O)(=O)C1 1496499072 ABTWLXSNZQIOBT-GHMZBOCLSA-N 315.395 -0.455 30 20 DBED C#CC1(O)CCN(C(=O)NCCS(=O)(=O)C2CC2)CC1 1520981384 CCZCKRINZKIGSV-UHFFFAOYSA-N 300.380 -0.267 30 20 DBED CC(C)[C@@H](CNC(=O)CN1CCOCC1=O)NC(=O)[C@H](C)C#N 1532767681 YBUJSUMMKXHEPA-VXGBXAGGSA-N 324.381 -0.738 30 20 DBED C#Cc1ccc(C(=O)NCC2CN(C[C@H](O)COC)C2)cn1 1567846411 UCSBWRXWMOCSCI-HNNXBMFYSA-N 303.362 -0.268 30 20 DBED CC[C@H](C(=O)N1CC(CCO)(NC(=O)C#CC2CC2)C1)N(C)C 1571883789 WVAIKIFMLLUFPC-CQSZACIVSA-N 321.421 -0.180 30 20 DBED C#CCCCC(=O)NC[C@H]1CC[C@@H](NC(=O)Cn2ncnn2)C1 1573170446 SIBLIKGOXXDHAS-QWHCGFSZSA-N 318.381 -0.122 30 20 DBED C=CC(C)(C)C(=O)N(CCO)CCNC(=O)[C@H]1C[C@@H]1C(=O)O 1573345346 QAGOYXNGZJWPRX-QWRGUYRKSA-N 312.366 -0.144 30 20 DBED C[C@H](CN1CCOCC1)Nc1cnc(C#N)c(-c2nn[nH]n2)n1 1574829498 DHIPKSMQRJTAAL-SECBINFHSA-N 315.341 -0.339 30 20 DBED CC(C)C#CC(=O)N(C)C[C@H](C)NCC(=O)NCc1cnn[nH]1 1575318908 SNDWYKZECJGDDC-LBPRGKRZSA-N 320.397 -0.483 30 20 DBED C#CCCCC(=O)NCCn1cc(-c2nn[nH]n2)c(O)nc1=O 1588340389 OAJRMDINPQSETG-UHFFFAOYSA-N 317.309 -0.951 30 20 DBED C=C[C@H](COC)NS(=O)(=O)c1cccnc1-c1nn[nH]n1 1588526478 XAIVYEKCSYWARY-MRVPVSSYSA-N 310.339 -0.259 30 20 DBED C=CCN(CCOC)C(=O)[C@@H](C)n1cnc(-c2nn[nH]n2)n1 1588632001 HAURYSQUWBOESV-SECBINFHSA-N 306.330 -0.320 30 20 DBED CC(C)C#CC(=O)NCCOCCN(C)C(=O)[C@H]1C[C@@H]1C(=O)O 1590928205 WOARPQOLHBWCTP-STQMWFEESA-N 324.377 -0.042 30 20 DBED C[C@H](OC(=O)c1cccc(C#CCO)c1)C(=O)NCC(=O)O 1593586474 XHTLFPTXLDSUBB-JTQLQIEISA-N 305.286 -0.224 30 20 DBED N#Cc1ccc(C(=O)NCC2CN(C(=O)[C@@H]3C[C@H]3C(=O)O)C2)[nH]1 1601092618 UZNMERRBWWOXOI-GHMZBOCLSA-N 316.317 -0.205 30 20 DBED C=CCCO[C@H](C)C(=O)NCCn1cnc(-c2nn[nH]n2)n1 1602841064 MDBNIXBYLORCDH-SECBINFHSA-N 306.330 -0.444 30 20 DBED N#Cc1nc(N[C@@H](CO)C[C@H]2CCCO2)cnc1-c1nn[nH]n1 1606393208 ROHYCEIGPHUUGN-RKDXNWHRSA-N 316.325 -0.130 30 20 DBED N#Cc1ccc(CNC(=O)C(=O)N2CCO[C@H](C(=O)O)C2)cc1 1608205228 YDINXOUOKJVZOX-LBPRGKRZSA-N 317.301 -0.514 30 20 DBED O=C(O)Cc1ccc(S(=O)(=O)NCC#CCO)cc1F 1608782584 KBAFJPYJENEAMJ-UHFFFAOYSA-N 301.295 -0.273 30 20 DBED C#CCNC[C@H]1CCCN1C(=O)[C@H]1CC(=O)N(CCOC)C1 1716778512 VIOHTBTXAQPLED-UONOGXRCSA-N 307.394 -0.305 30 20 DBED C#CCCN1CCN(CCNC(=O)CO[C@H]2CCOC2)CC1 1752365938 MPKHUCBWCYRSID-HNNXBMFYSA-N 309.410 -0.451 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCCN1CCN([C@H](C)C(N)=O)CC1 1752372875 KBPRQASCWSDOGZ-MCIONIFRSA-N 324.425 -0.815 30 20 DBED C=CCNC(=O)CN1CCC2(CC1)C[C@H]2NC(=O)CNC(C)=O 1752414315 BBMBGDWNBSJDMG-CYBMUJFWSA-N 322.409 -0.605 30 20 DBED C#CCN1CCC[C@@H]1CNC(=O)C[C@@]1(C)CCS(=O)(=O)N1 1753117115 VZGMMCMDGXSXFZ-TZMCWYRMSA-N 313.423 -0.328 30 20 DBED Cc1cn(C)nc1C(=O)NC[C@@H]1CCN(CC(=O)NCC#N)C1 1753125767 VSEKIVTXLMDPDG-LBPRGKRZSA-N 318.381 -0.580 30 20 DBED C=CCN1CC[C@H](NCCN(C)C(=O)CCc2nc[nH]n2)C1=O 1753179276 DPDRFGBNHNOOSO-LBPRGKRZSA-N 320.397 -0.428 30 20 DBED Cc1nonc1C(=O)N(C)[C@@H]1CCN(CC(=O)NCC#N)C1 1753451007 VOGHSERXLWMQTF-SNVBAGLBSA-N 306.326 -0.836 30 20 DBED CC(C)N(C)CC(=O)N1CC[C@H](NCC(=O)NCC#N)[C@@H](C)C1 1753768718 LVWUZWQUWZKKHI-KBPBESRZSA-N 323.441 -0.207 30 20 DBED CC#CCN[C@H](CNC(=O)CCn1ncn(C)c1=O)C(C)C 1753833510 DCNHTTXHZNLMES-CYBMUJFWSA-N 307.398 -0.274 30 20 DBED C#CCNC(=O)CNC[C@@H](C)NC(=O)C[C@@H](OC)C(F)(F)F 1754248716 UNPDJURFPGXZJS-NXEZZACHSA-N 323.315 -0.203 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CNC(=O)Cc1[nH]cnc1C 1754500250 HULCYDVYBMSVCP-LBPRGKRZSA-N 303.366 -0.799 30 20 DBED C#CCNC(=O)CN1CCC[C@@H](NC(=O)c2ccnnc2)CC1 1755030069 UMESJZFATRITQY-CQSZACIVSA-N 315.377 -0.190 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)c2cnnc(C)c2)C[C@@H]1C 1755107507 PFCSFBCWYZHKEB-SMDDNHRTSA-N 315.377 -0.415 30 20 DBED N#CCNCC1CC(NC(=O)CN2CCCCS2(=O)=O)C1 1755214269 PSXBLPDXZYAVGH-UHFFFAOYSA-N 314.411 -0.580 30 20 DBED C#CCNC(=O)CN[C@@H](C)[C@H](C)NC(=O)c1c[nH]nc1CC 1755242050 KPYXQTMTWFJRQV-QWRGUYRKSA-N 305.382 -0.182 30 20 DBED COCC#CCN1C[C@H](NC(=O)CN(C)C(C)=O)C(C)(C)C1 1755404526 FXSZJCAFKDCLBH-AWEZNQCLSA-N 309.410 -0.059 30 20 DBED CN1CC[C@H](N2C[C@@H]3C(CNC(=O)C#CC4CC4)[C@H]3C2)C1=O 1755422885 LEMOZKPIVUSUOS-KFWWJZLASA-N 301.390 -0.076 30 20 DBED C#CCCNC[C@H](NC(=O)Cn1cnc(C(N)=O)n1)C(C)(C)C 1755822772 XBUIQZRTDJFUQP-NSHDSACASA-N 320.397 -0.479 30 20 DBED C[C@@H](NC(=O)CCn1cncn1)[C@@H](C)NC(=O)CSCC#N 1755951125 JVKIZMDIPWIKMS-GHMZBOCLSA-N 324.410 -0.066 30 20 DBED Cc1ncc(CC(=O)N[C@@H]2CN(C(=O)C#CC(C)C)C[C@@H]2O)o1 1757182988 ULPQMKUVKUMGDW-KGLIPLIRSA-N 319.361 -0.127 30 20 DBED N#CC[C@@H](O)CN1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1771945621 WCCVCMXBCKAFSX-CHWSQXEVSA-N 317.411 -0.613 30 20 DBED N#CCCC(=O)N1CCO[C@@]2(CCN(C(=O)c3ncon3)C2)C1 1779867967 UHUBSYHHDIKFCC-AWEZNQCLSA-N 319.321 -0.183 30 20 DBED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCCO3)[C@H]2C1 1787130848 RHWJHTDNGCQNJL-FQUUOJAGSA-N 306.362 -0.222 30 20 DBED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)OC)CCO2 1840211479 DLUUYDNRNBBQKZ-IUODEOHRSA-N 310.350 -0.889 30 20 DBED CNC(=O)CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C1(C#N)CC1 1847764595 PISMOARVFOKQAQ-QWRGUYRKSA-N 304.350 -0.372 30 20 DBED C=CCNC(=O)CNC(=O)C(=O)Nc1cc(CCC)nn1C 179772858 WXAGNFFEWPYHHT-UHFFFAOYSA-N 307.354 -0.271 30 20 DBED C[C@H]1C(=O)N(C)CCN1C(=O)CNC(=O)c1ccc(C#N)cc1 186828454 WHGRHIROBNOCTK-NSHDSACASA-N 314.345 -0.023 30 20 DBED C#C[C@H](C)NS(=O)(=O)c1ccc(S(=O)(=O)NC)cc1 277612086 AZDQFYLWWADBAY-VIFPVBQESA-N 302.377 -0.105 30 20 DBED C=CCN(CC=C)C(=O)CN(CC#N)S(=O)(=O)N(C)C 283597556 SVLFYMXSFDYTCW-UHFFFAOYSA-N 300.384 -0.181 30 20 DBED Cc1noc(C)c1S(=O)(=O)NCC(=O)n1ncc(C#N)c1N 290213275 SHLLRJLAPHQVRG-UHFFFAOYSA-N 324.322 -0.439 30 20 DBED CO[C@@H](C)CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 290866127 ZWGAESLLYSKQRP-JTQLQIEISA-N 311.363 -0.012 30 20 DBED N#CCC1(O)CN(C(=O)Cn2c(=O)nc(O)c3ccccc32)C1 329384662 PMEBRFMVQVHAAV-UHFFFAOYSA-N 314.301 -0.411 30 20 DBED CC/N=C(/O)N1CC[C@H](N2C(=O)[C@@H]3[C@H](O)CCCN3C2=O)C1 330360447 XCWWEOUJXJJQPE-AXFHLTTASA-N 310.354 -0.218 30 20 DBED N#C[C@H]1CN(S(=O)(=O)N2CC[C@H](N3CC=CC3)C2)CCO1 337095083 PSXOVECBEDBJLN-STQMWFEESA-N 312.395 -0.598 30 20 DBED COc1ccc(NC(=O)C(=O)NCCn2cnc(C#N)n2)cc1 342881648 KDXCIOOFHVQKIB-UHFFFAOYSA-N 314.305 -0.087 30 20 DBED C=CCNC(=O)NC(=O)CN1C[C@H](C)S(=O)(=O)[C@H](CC)C1 347323479 VRSXCJYPUNQEIT-WDEREUQCSA-N 317.411 -0.104 30 20 DBED CO[C@@H]1CCN(C(=O)C(=O)Nc2cc(C)n(CCC#N)n2)C1 349281673 KODYXBMCCIYOSD-LLVKDONJSA-N 305.338 0.291 30 20 DBED N#Cc1cncn(CC(=O)NC(=O)NCc2ccco2)c1=O 351777777 DNCHGIOSKUBSBJ-UHFFFAOYSA-N 301.262 -0.266 30 20 DBED CCN(C)CCNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 354404106 RUBRRHJLKQKLFU-UHFFFAOYSA-N 324.406 -0.096 30 20 DBED Cc1cc(CN2CCN(C(=O)NCC(=O)NCC#N)CC2)no1 358284682 YUZVHNWKHHDQGX-UHFFFAOYSA-N 320.353 -0.550 30 20 DBED CNS(=O)(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 375705803 QBWXRYZKPMQHRC-GFCCVEGCSA-N 308.363 -0.287 30 20 DBED Cn1ccc(=O)n(C[C@@H](O)COc2ccc(C#N)cc2)c1=O 402409657 PVWMVJSUVJQMOL-GFCCVEGCSA-N 301.302 -0.141 30 20 DBED C=CCCn1cc(C(=O)NC2(C(=O)NCCOC)CC2)nn1 424884888 CKWBIKPOJSJVTN-UHFFFAOYSA-N 307.354 -0.121 30 20 DBED C=CC(C)(C)CNC(=O)CN1CCN(S(C)(=O)=O)CC1 456117226 OASJVCHLXDKRPY-UHFFFAOYSA-N 303.428 -0.108 30 20 DBED C#CCNS(=O)(=O)CCCS(=O)(=O)Nc1nccs1 491678968 CTYVFGHTGHSTBU-UHFFFAOYSA-N 323.421 -0.173 30 20 DBED CN(C)CCN1CCC(NC[C@@H](O)CN(C)CCC#N)CC1 567694248 MHEMCYWLWHSALK-MRXNPFEDSA-N 311.474 -0.192 30 20 DBED N#Cc1cc(NCCN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)ncn1 580989452 DRDOOAMLSFGNQG-DUBDDPSESA-N 309.329 0.567 30 20 DBED C[C@]1(CNC(=O)C(=O)NC2CCN(CC#N)CC2)CCCO1 588127810 RAHVROCAIZRVDM-OAHLLOKOSA-N 308.382 -0.224 30 20 DBED CN(C)C(=O)Cn1cnc(NC(=O)N(C)CC(C)(C)C#N)n1 590120701 TZLRXBKFCJKGRF-UHFFFAOYSA-N 307.358 0.380 30 20 DBED N#CCNC(=O)CNS(=O)(=O)c1cccc2c1OCCC2 593595649 QYDZMEHIACCEJE-UHFFFAOYSA-N 309.347 -0.070 30 20 DBED C#CCN(CC(=O)O)C(=O)NC[C@H]1CCCCS1(=O)=O 694074832 KOJMDTJAOADUGG-SNVBAGLBSA-N 302.352 -0.317 30 20 DBED C#CCNC(=O)CNc1cc(C(=O)NCCC(N)=O)ccc1F 749272763 WIPUOGFYZUGCKC-UHFFFAOYSA-N 320.324 -0.408 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)C1(O)CCSCC1 769812990 CWTGSVPNVFDDFV-UHFFFAOYSA-N 302.352 -0.201 30 20 DBED C#C[C@@H](NC(=O)NCCOCCS(C)(=O)=O)[C@@H]1CCCO1 773321751 LLYGGKSDSPNPHZ-NEPJUHHUSA-N 318.395 -0.472 30 20 DBED Cn1c(N)c(C=NN2Cc3ccccc3C2=O)c(=O)n(C)c1=O 781598737 MASIRXLVONJTCU-UHFFFAOYSA-N 313.317 -0.344 30 20 DBED N#CCNC(=O)CNC(=O)NC[C@@H](O)c1c(F)cccc1F 807553355 PSGWTJRYNOQAPS-SNVBAGLBSA-N 312.276 -0.063 30 20 DBED C=CCOCC(=O)Nc1n[nH]c(CCCNC)c1-c1nn[nH]n1 823925647 NIPGUEPKVZRNJN-UHFFFAOYSA-N 320.357 -0.117 30 20 DBED CN1C[C@H](C(=O)N2CCN(c3ccc(C#N)nc3)CC2)NC1=O 834732600 JCLDQBDECCCTMF-CYBMUJFWSA-N 314.349 -0.375 30 20 DBED C#CCC[C@H](C)OC(=O)CN1CCN(S(C)(=O)=O)CC1 839043631 TUFKPKHQHPVPKJ-LBPRGKRZSA-N 302.396 -0.091 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N1CC(N2CC[C@@H](O)C2)C1 845106547 IZHYCENPVOZPIZ-GFCCVEGCSA-N 317.411 -0.952 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)Nc1cncnc1OC 850725359 KSJILGYSRIAIPU-UHFFFAOYSA-N 306.322 -0.078 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2C=CCC2)CC1 895717711 BWVWIAJRZCJGPJ-LBPRGKRZSA-N 312.395 -0.500 30 20 DBED C#CCNCC(=O)Nc1cccc([C@]2(C)NC(=O)NC2=O)c1 912479556 TUTMPQPEATVUJC-HNNXBMFYSA-N 300.318 -0.098 30 20 DBED C#Cc1ccccc1CC(=O)N(C)[C@@H]1CCN(C(=O)C(N)=O)C1 939368837 CCGADKAFAPIQSP-CQSZACIVSA-N 313.357 -0.245 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2cnc(O)n(C)c2=O)[C@@H](C)C1 942553190 MOAQPFFQZAJWSG-CMPLNLGQSA-N 304.350 -0.441 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2CN(C(=O)COC)CCO2)nc1 944696003 ZMOFAONTYMNZEF-ZDUSSCGKSA-N 317.345 -0.334 30 20 DBED C=CCn1cccc1C(=O)N[C@@H]1[C@H]2C[C@H]1N(C(=O)CC(N)=O)C2 947353755 FJAJWZWHKQZIRR-JVLSTEMRSA-N 316.361 -0.121 30 20 DBED CN(C(=O)c1ccc(C#N)[nH]1)C1CCN(C(=O)C(N)=O)CC1 953877193 XFJHFURMERPIDV-UHFFFAOYSA-N 303.322 -0.565 30 20 DBED Cn1cc(C(=O)NC[C@@H]2CN(CC#N)C[C@@H]2O)c(C(F)F)n1 958145719 QBJQLFJRVSPUOF-SCZZXKLOSA-N 313.308 -0.096 30 20 DBED C#CCN1C[C@H]2[C@H](NC(=O)c3coc(S(C)(=O)=O)c3)[C@H]2C1 960001178 JVUFHYHZZXMUNY-PJXYFTJBSA-N 308.359 -0.024 30 20 DBED CC#CCN1C[C@H]2[C@H](NC(=O)C[C@@H]3CCS(=O)(=O)C3)[C@H]2C1 960894790 UTTZDGXKVXWHRO-RMRHIDDWSA-N 310.419 -0.119 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)c2ccnc(O)c2)C1 962212377 LVCMTOBSOKCWMN-IEBDPFPHSA-N 304.306 -0.752 30 20 DBED C[C@H](C#N)C(=O)N1CC2(C[C@@H](NC(=O)c3cn[nH]c3)CO2)C1 965651385 VZUVLQNWQCPRIX-MWLCHTKSSA-N 303.322 -0.331 30 20 DBED CC#CCN1CC[C@H](C)[C@@H](NC(=O)Cn2c(O)nnc2O)C1 968588968 OLCMHLVDIKHAAM-QWRGUYRKSA-N 307.354 -0.461 30 20 DBED C#CCN1CC([C@@H](C)NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 970243779 YAZVPQZAYHCSEK-SECBINFHSA-N 314.353 -0.623 30 20 DBED Cn1cncc1CC(=O)N1CC[C@]2(CN(CC#N)CCO2)C1 972637904 FONXDYNQPDNUKG-HNNXBMFYSA-N 303.366 -0.211 30 20 DBED O=C1CC[C@@H](C(=O)N[C@H]2[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]32)CN1 976795857 BUQYQZUTVAOYHG-FOCJUVANSA-N 315.373 -0.501 30 20 DBED C#Cc1ccc(C(=O)N2C[C@H]3[C@H](NC(=O)c4nc[nH]n4)[C@H]3C2)nc1 976983413 OHIRSXAGJOYBHT-PJXYFTJBSA-N 322.328 -0.319 30 20 DBED N#Cc1ccc(C(=O)N2C[C@H]3[C@H](NC(=O)c4cnon4)[C@H]3C2)[nH]1 977029959 FKBGQRDWMXZRMM-GDGBQDQQSA-N 312.289 -0.230 30 20 DBED CNC(=O)CN1C[C@@H]2C(CNC(=O)c3cc(C#N)c[nH]3)[C@H]2C1 977951734 GMUVRAMURNKMTF-VXGBXAGGSA-N 301.350 -0.460 30 20 DBED Cn1nnc2c(C(=O)NCC3[C@@H]4CN(CC#N)C[C@@H]34)ccnc21 978638143 GRYRFKMMZQXUCQ-RYUDHWBXSA-N 311.349 -0.206 30 20 DBED C=C(C)CN1C[C@@H]2C(CNC(=O)[C@@H]3CC(=O)NC(=O)N3)[C@H]2C1 978796875 PGMXODBZZHFEIQ-UTUOFQBUSA-N 306.366 -0.545 30 20 DBED C#CCN1C[C@@H]2CC[C@@H](NC(=O)Cn3cnnc3O)C[C@H]2C1 979619395 QHWWJXKZVMZTQI-RWMBFGLXSA-N 303.366 -0.166 30 20 DBED C#CCN1CCC(C(=O)N2CC(NC(=O)c3cc[nH]n3)C2)CC1 990292825 ARQVHONJEXRDSM-UHFFFAOYSA-N 315.377 -0.305 30 20 DBED N#Cc1c[nH]c(C(=O)NC2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c1 990690436 BBCBEAKOWSMXAE-MWLCHTKSSA-N 303.278 -0.508 30 20 DBED C#Cc1cncc(C(=O)N2CC(NC(=O)[C@H](C)n3cncn3)C2)c1 990916655 BWEQEWSKQUJSOV-NSHDSACASA-N 324.344 -0.144 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)Cc2ccnn2C)C1 991086510 ZHUXSQITAMCESJ-KGLIPLIRSA-N 318.377 -0.119 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)c3ncn(C)n3)C[C@]2(C)C1 992878431 PLXYQCCLFJPNQP-HFAKWTLXSA-N 316.365 -0.105 30 20 DBED C#CCN[C@H]1CN(C(=O)c2cn(C)c(=O)n(C)c2=O)CC1(C)C 996372146 CHNMHXMRWCRCCH-LBPRGKRZSA-N 318.377 -0.843 30 20 DBED C#CCN[C@@H]1CN(C(=O)CC[C@@H]2NC(=O)NC2=O)CC1(C)C 996583001 FJHLWYJIXZATDY-WDEREUQCSA-N 306.366 -0.566 30 20 DBED C#Cc1ccccc1CC(=O)NC1CN(C(=O)c2cnn(C)n2)C1 997235193 CAHOQWGLMDHLDQ-UHFFFAOYSA-N 323.356 -0.020 30 20 DBED C#CCN1CC[C@H](n2cc(CNC(=O)[C@@H]3CCOC3)nn2)C1 999964321 YUONQGTZSQEDKN-OCCSQVGLSA-N 303.366 -0.189 30 20 DBED N#Cc1cc(C(=O)N2CCN(C(=O)[C@@H]3CCNC3=O)CC2)c[nH]1 1011026859 LVJLCBTUFYDTFP-GFCCVEGCSA-N 315.333 -0.693 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C(=O)[C@]2(C)CCC(=O)NC2)CC1 1012108611 ZUVSUNJKROZNQF-XHDPSFHLSA-N 306.366 -0.267 30 20 DBED CC(=O)N1CCOC[C@@H]1C(=O)N[C@@H]1CC12CCN(CC#N)CC2 1016988037 XKCQEFHRRBJFQR-ZIAGYGMSSA-N 320.393 -0.272 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@@H](N[C@H]2CCN(C)C2=O)C1 1022221958 TWJVWZWHGMOBOV-XGUBFFRZSA-N 318.421 -0.449 30 20 DBED CCc1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2O)n[nH]1 1023092013 ZWMQMFAEGSHAJQ-XXILOJSOSA-N 305.338 -0.567 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2CCCCN2CC(=O)NC)nn1 1024696089 FDLFEXAHKAHAKS-LBPRGKRZSA-N 320.397 -0.206 30 20 DBED C#CCN1CCC[C@H]1CNC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 1027879569 UVFKQMOJUJYPFY-STQMWFEESA-N 315.377 -0.024 30 20 DBED CN(C)C(=O)CN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C#N)[nH]1 1032361788 BEOXXXNGMWTDKN-RYUDHWBXSA-N 301.350 -0.127 30 20 DBED CN(C(=O)c1cnn2c(=O)cc[nH]c12)[C@@H]1CCN(CC#N)C1 1033486423 WFAMGUWXQRWSEG-SNVBAGLBSA-N 300.322 -0.308 30 20 DBED COCCN1C[C@@H](C(=O)N[C@H]2CCCCN(CC#N)C2)CC1=O 1034232936 ZIXHBSVERMPMTR-KBPBESRZSA-N 322.409 -0.024 30 20 DBED C=CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)CN1CCCCS1(=O)=O 1037509687 XORURVCCIZBFOF-DYEKYZERSA-N 313.423 -0.213 30 20 DBED C#CCCCCC(=O)N1CC[C@](O)(CNC(=O)c2nc[nH]n2)C1 1040546988 NQXFUAGMLWJPEL-HNNXBMFYSA-N 319.365 -0.309 30 20 DBED CC(C)C#CC(=O)N1CC[C@](O)(CNC(=O)c2n[nH]cc2F)C1 1040835884 UNVDPWZOTIPYOF-HNNXBMFYSA-N 322.340 -0.099 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(O)(CNC(=O)[C@H](C)OC)C1 1041759083 OPNKTTAXKGWLCI-GXFFZTMASA-N 300.355 -0.962 30 20 DBED C=C(C)CCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@@H]2C(=O)OC)C1 1041983996 IOIOZVFNPYRFBM-NEPJUHHUSA-N 324.377 -0.159 30 20 DBED CC#CCN1CC[C@@H]2CCN(C(=O)c3nnc(O)nc3O)C[C@H]21 1042135388 VBPCYBCKPANEIR-GHMZBOCLSA-N 317.349 -0.158 30 20 DBED CSCC(=O)N1CC(O)(CNC(=O)c2ccc(C#N)[nH]2)C1 1042604691 DWOLUXYUVDRGMZ-UHFFFAOYSA-N 308.363 -0.448 30 20 DBED CC(C)(C)C#CC(=O)NCC1(O)CN(C(=O)c2cnn[nH]2)C1 1042970551 PCIQBIJNEJNANP-UHFFFAOYSA-N 305.338 -0.843 30 20 DBED C=CCC(C)(C)C(=O)NCC1(O)CN(C(=O)CC(=O)NC)C1 1043059139 FJNJGQUWMMJACG-UHFFFAOYSA-N 311.382 -0.586 30 20 DBED Cc1cc(C#N)nc(N2C[C@H](O)[C@H](NC(=O)c3cocn3)C2)n1 1043874508 MKYFGZONOMEHLP-PWSUYJOCSA-N 314.305 -0.376 30 20 DBED C[C@H]1C[C@H](NCC#N)CCN1C(=O)c1cnc(O)n(C)c1=O 1044707460 MTCXZWJVFWADIC-VHSXEESVSA-N 305.338 -0.408 30 20 DBED C=C[C@](C)(CC)C(=O)NCC1(O)CN(C(=O)Cn2nccn2)C1 1045782074 BTIVSQPYNXTJHU-CQSZACIVSA-N 321.381 -0.430 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cccn(C)c2=O)C1 1047602532 QTNKZWGAZYONEB-KBPBESRZSA-N 303.362 -0.474 30 20 DBED CC(C)C#CC(=O)N(C)[C@H]1CN(C(=O)c2ccnnc2)C[C@@H]1O 1048813739 JAGUYJSNSUIRCD-KBPBESRZSA-N 316.361 -0.220 30 20 DBED CN(C(=O)C#CC1CC1)[C@H]1CN(C(=O)c2ncccn2)C[C@@H]1O 1048825089 SHKKDQBCFIXQKL-STQMWFEESA-N 314.345 -0.466 30 20 DBED C=CCC(CC=C)C(=O)N(C)[C@H]1CN(C(=O)CC(N)=O)C[C@@H]1O 1048894271 ZAOLYMNYQNSIKT-STQMWFEESA-N 323.393 -0.340 30 20 DBED C#CCCCC(=O)N1CC[C@@H]([C@H](C)NC(=O)c2nnn(C)n2)C1 1050596149 TYDZJOYSVBNWFC-NWDGAFQWSA-N 318.381 -0.020 30 20 DBED C[C@@H]1[C@@H](NC(=O)Cn2ncnn2)CCN1c1ccc(C#N)nn1 1050640026 YWCOTVSXBWFSTG-KOLCDFICSA-N 313.325 -0.882 30 20 DBED CC#CCN1CCOC[C@H]1CNC(=O)[C@@H]1CCNC(=O)CC1 1051046531 PSZQYIBJSOGLGL-UONOGXRCSA-N 307.394 -0.257 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)c1cccn2c(O)nnc12 1051204547 NZKYUNAJUKHNAC-LLVKDONJSA-N 315.333 -0.501 30 20 DBED C=CCN1CCOC[C@H]1CNC(=O)c1cn(C)c(=O)nc1O 1051243893 OKBKPIQHGKBTBZ-SNVBAGLBSA-N 308.338 -0.898 30 20 DBED C[C@@H](C(N)=O)N1CCN([C@@H]2CCN(C(=O)C#CC3CC3)C2)CC1 1052024719 KYPGSWDPCVCDSG-DZGCQCFKSA-N 318.421 -0.508 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)[C@@H]3COCCN3CC)CO2)C1 1053853235 ZVUOMUPGJZSXLH-GJZGRUSLSA-N 321.421 -0.310 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@@](CO)(NC(=O)C2CC2)C1 1055684127 MRQZSHAOFBMENH-MRXNPFEDSA-N 321.377 -0.994 30 20 DBED N#Cc1nccc(N2CCN(C(=O)C[C@H]3COC(=O)C3)CC2)n1 1055769093 HKGRNBUBZVQYDQ-LLVKDONJSA-N 315.333 -0.050 30 20 DBED Cn1cc(CC(=O)NC2[C@@H]3CN(c4ccnc(C#N)n4)C[C@@H]23)cn1 1056147968 TYVHRAKAKMMBDS-VXGBXAGGSA-N 323.360 -0.125 30 20 DBED N#Cc1cncc(N[C@@H]2CCN(C(=O)[C@@H]3CCC(=O)NC3)C2)n1 1056817851 JZFPWDDUUUPNTO-GHMZBOCLSA-N 314.349 -0.113 30 20 DBED Cc1nnsc1C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N 1056936745 ITYTZWUVYLEOEX-QMMMGPOBSA-N 311.367 -0.443 30 20 DBED C=CCCCC(=O)NCCN(CCO)C(=O)c1cn(C)nn1 1057493405 BSTDDLKZJCVXPJ-UHFFFAOYSA-N 309.370 -0.278 30 20 DBED CC(C)N1CCC[C@@H]1C(=O)N(CCO)CCNC(=O)[C@H](C)C#N 1057587325 CWAVNCQUFZVCNL-ZIAGYGMSSA-N 324.425 -0.044 30 20 DBED C=CC(C)(C)C(=O)N(CCO)CCNC(=O)CCc1cnn[nH]1 1058304058 SBEJOBZIGJDKSO-UHFFFAOYSA-N 323.397 -0.113 30 20 DBED C=CCCCC(=O)N(CCO)CCNC(=O)c1nccnc1N 1058621856 SMHBRXBGIWIYAX-UHFFFAOYSA-N 321.381 -0.034 30 20 DBED CCOc1cc(C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N)on1 1058661520 YMHUTHVTGURJEV-JTQLQIEISA-N 324.337 -0.216 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@H](N=c2cc[nH]c(C#N)n2)C1 1059106844 TXZPAPHRXLVPEW-KBPBESRZSA-N 324.388 -0.119 30 20 DBED C=CCCC(=O)N1CCOC[C@@H]1CNC(=O)CCn1cncn1 1061285030 BWYZFXOAAQCCES-ZDUSSCGKSA-N 321.381 -0.022 30 20 DBED C=CCCC(=O)NC[C@H]1COCCN1C(=O)[C@H]1C[C@H]1C(N)=O 1061410931 VONICHIUNZMWAV-TUAOUCFPSA-N 309.366 -0.582 30 20 DBED CCC(=O)NCC(=O)NC[C@H]1COCCN1C(=O)C#CC(C)C 1061427588 CAPZIYRXBFPQOY-ZDUSSCGKSA-N 323.393 -0.484 30 20 DBED N#Cc1cncc(N2CC[C@@H](CNC(=O)[C@H]3CCNC3=O)C2)n1 1061694493 JRCPICJTKNOHBZ-JQWIXIFHSA-N 314.349 -0.573 30 20 DBED C=CCO[C@@H](C)C(=O)NCC1(NC(=O)CNC(C)=O)CCC1 1063425526 JSELNOUPHYQPML-NSHDSACASA-N 311.382 -0.131 30 20 DBED C[C@H]1CCCN(C(=O)CC(N)=O)[C@@H]1CN=c1cc[nH]c(C#N)n1 1063932504 PZLSXOCXAGXLBT-WDEREUQCSA-N 316.365 -0.315 30 20 DBED C#CCO[C@@H](C)C(=O)NC1(CNC(=O)c2cnon2)CCC1 1064173456 SIRNANYYWMMFRD-JTQLQIEISA-N 306.322 -0.123 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2cn[nH]c2)CCO1 1064895613 JDAXQKMGTXNSTK-LBPRGKRZSA-N 308.338 -0.431 30 20 DBED C=CCCC(=O)N1CCO[C@H](CNC(=O)[C@@H]2CCCNC2=O)C1 1064960442 XFAVTNZQJABPFC-CHWSQXEVSA-N 323.393 -0.178 30 20 DBED Cn1cc(C(=O)N[C@@]2(C)CCN(c3cnc(C#N)cn3)C2)nn1 1065248712 WWIAQCBMSGDROY-AWEZNQCLSA-N 312.337 -0.124 30 20 DBED C[C@@]1(NC(=O)[C@@H]2CNC(=O)N2)CCN(c2nccnc2C#N)C1 1065327404 XPVPWVXQRXXJHY-IINYFYTJSA-N 315.337 -0.885 30 20 DBED COCC1(C(=O)N2CCO[C@H](CNC(=O)[C@H](C)C#N)C2)CC1 1065340135 FVINLPGGOMMLHQ-VXGBXAGGSA-N 309.366 -0.084 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H]1CC[C@H](NC(=O)C(N)=O)CC1 1066444596 ZZSBNLYDRCRBDR-UMSPYCQHSA-N 301.350 -0.053 30 20 DBED N#Cc1cnc(N2CCOC[C@@H]2CNC(=O)c2cn[nH]c2)cn1 1066465719 HFSRCFWINWTUIM-LBPRGKRZSA-N 313.321 -0.293 30 20 DBED N#Cc1cccnc1NCC1(O)CCN(C(=O)CC(N)=O)CC1 1067470812 CXAKNECKMCAJQK-UHFFFAOYSA-N 317.349 -0.406 30 20 DBED C[C@H]1C[C@@H](Nc2nccnc2C#N)CN1C(=O)CS(C)(=O)=O 1069040415 ILODZFXKBDXCCM-VHSXEESVSA-N 323.378 -0.206 30 20 DBED C#CCN1CCn2ncc(CNC(=O)c3cncnc3O)c2C1 1069864386 NHMILQATIUKXFZ-UHFFFAOYSA-N 312.333 -0.243 30 20 DBED C#CCCN1CCNC(=O)CCN(C(=O)c2cc[nH]n2)CC1 1070941769 DCUQCJAJHNVVBX-UHFFFAOYSA-N 303.366 -0.303 30 20 DBED CC#CCN1CCNC(=O)CCN(C(=O)Cc2cnoc2)CC1 1070991257 JWRJFPNGSJKZTQ-UHFFFAOYSA-N 318.377 -0.109 30 20 DBED C#CCCN1CC[C@@]2(C1)CN(C(=O)c1nnn(C)n1)C[C@H](C)O2 1071197664 WKSFVIBZIAVNHL-SWLSCSKDSA-N 318.381 -0.461 30 20 DBED C=CCOCC(=O)N1C[C@@H](NC(=O)C(C)(C)C(N)=O)[C@H](C)C1 1071810667 CMYJBLCIBDBJRO-GHMZBOCLSA-N 311.382 -0.336 30 20 DBED C=CCCN1C[C@H](NC(=O)c2cn(CC(N)=O)nn2)CC[C@H]1C 1072099850 YDTXJJVDRVQATN-VXGBXAGGSA-N 320.397 -0.078 30 20 DBED C=CCN1CCO[C@@H]2CCN(C(=O)c3c[nH]c(=O)cn3)C[C@H]21 1074323230 BJDOCWIJXMQQBZ-CHWSQXEVSA-N 304.350 -0.129 30 20 DBED Cn1cc(CCC(=O)N2CC[C@H]3OCCN(CC#N)[C@H]3C2)nn1 1074418983 CUTDLPIPXXVVEH-UONOGXRCSA-N 318.381 -0.427 30 20 DBED C#CCCCC(=O)NCC1(O)CCN(C(=O)c2cnn[nH]2)CC1 1074638071 YFLBAQSOGHSHPA-UHFFFAOYSA-N 319.365 -0.309 30 20 DBED C=CCCC1(C(=O)N2CCC(O)(CNC(=O)C(N)=O)CC2)CC1 1074716648 MLLADIVLHWNADV-UHFFFAOYSA-N 323.393 -0.312 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)[C@@H](C)SC 1075709273 DRVVUEYAXQZLCJ-WDEREUQCSA-N 313.423 -0.112 30 20 DBED Cn1cc(CN2C[C@@H](O)[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)cn1 1076855562 BTCFLIWWPMRXSG-ZIAGYGMSSA-N 314.349 -0.405 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN([C@@H](C)COC)C[C@H]2O)cn1 1078033452 KSXOTVQUTLEYQM-NILFDRSVSA-N 303.362 -0.127 30 20 DBED C[C@@H](CCNC(=O)CCc1cnn(C)n1)NC(=O)[C@H](C)C#N 1078495625 ASOPRKVTRKMXIC-MNOVXSKESA-N 306.370 -0.082 30 20 DBED C=CCN1C[C@@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)[C@H](C)C1 1080890257 CKAYAWJYRBTQMJ-GHMZBOCLSA-N 308.382 -0.061 30 20 DBED C[C@H](C#N)C(=O)NC1(CO)CCN(C(=O)[C@H]2CCN(C)C2)CC1 1080981914 OTUMIFZHXBCDMP-OLZOCXBDSA-N 322.409 -0.433 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cncnc2)C1 1081424248 CEFXSBRTHUFMIA-KGLIPLIRSA-N 316.361 -0.315 30 20 DBED Cc1nonc1C(=O)N1C[C@@H](O)[C@@H](CNC(=O)C#CC2CC2)C1 1081474646 SIGOMJNEYXTTOG-NWDGAFQWSA-N 318.333 -0.659 30 20 DBED C=CCCOCC(=O)NC[C@H]1CN(C(=O)COC)C[C@H]1O 1081566720 MAXLBEQNACQELI-NWDGAFQWSA-N 300.355 -0.839 30 20 DBED C=CC(C)(C)C(=O)NC[C@H]1CN(C(=O)Cn2nccn2)C[C@@H]1O 1081642828 LMVNFNUOHDFJBZ-RYUDHWBXSA-N 321.381 -0.574 30 20 DBED C#CCCN1C[C@@H](NC(=O)[C@H]2CN(C(C)C)CCO2)[C@H](OC)C1 1082058108 RSZOATDIDBSXJC-BZUAXINKSA-N 323.437 -0.066 30 20 DBED C#CCCN1C[C@@H](NC(=O)C(C)(C)N2CCOCC2)[C@H](OC)C1 1082238861 OMJQITUFSLSCLP-HUUCEWRRSA-N 323.437 -0.064 30 20 DBED Cn1ccc(C(=O)N2CCO[C@@H]3CN(CC#N)C[C@@H]32)cc1=O 1083123556 IJQOWELPYKMIMO-QWHCGFSZSA-N 302.334 -0.566 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)c2cnc3c(c2)nnn3C)C1 1083649536 DMJFFUPPQRHPIR-OLZOCXBDSA-N 314.349 -0.839 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCCN2c2nccs2)C1 1083669278 BZALVCSFNPCZAY-AGIUHOORSA-N 320.418 -0.094 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)c2c3c(nn2C)CCC3)C1 1083947276 NLJZRPNFQCXXOS-KGLIPLIRSA-N 302.378 -0.293 30 20 DBED C#CCN[C@H]1C[C@@H](CNC(=O)c2nc(O)nc(O)c2OC)C1 1086252633 USTVUHCQALPESJ-DTORHVGOSA-N 306.322 -0.372 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)CCn3ncn(C)c3=O)C[C@@H]2C1 1088052492 UDHLDHKIJRMESG-KGLIPLIRSA-N 317.393 -0.615 30 20 DBED CC(C)(C)OCC(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1O 1090406515 BXCQRDLQEYLKRA-VXGBXAGGSA-N 319.365 -0.171 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2ccnc(N(C)C)c2)[C@@H](O)C1 1090617322 UEOUNRYYWBOJFW-KGLIPLIRSA-N 302.378 -0.054 30 20 DBED C#CCN1CC[C@H](NC(=O)C2(N3CCOCC3)CCC2)[C@@H](O)C1 1090687043 RJEQMJSKNGREBV-GJZGRUSLSA-N 321.421 -0.574 30 20 DBED C#CCN1CCC(C(=O)N[C@@H]2CCN(CC#N)C[C@H]2O)CC1 1090831280 SKYKPQLJFCFSBX-HUUCEWRRSA-N 304.394 -0.593 30 20 DBED COC(=O)NCC(=O)N1C[C@@H](Nc2ccc(C#N)nn2)[C@H](C)C1 1090961803 QYVLDAYNBNTCTK-MWLCHTKSSA-N 318.337 -0.037 30 20 DBED CCc1nc(C#N)cc(NCCCNC(=O)[C@H]2CCNC2=O)n1 1094706761 HYZQJKRPJOTJST-LLVKDONJSA-N 316.365 -0.035 30 20 DBED CNC(=O)NCC(=O)N1CCC(Nc2nccnc2C#N)CC1 1095250064 HFCFBEKHFMUBCP-UHFFFAOYSA-N 317.353 -0.320 30 20 DBED CC(=O)NCC(=O)N1CCC[C@@H](Nc2nccnc2C#N)C1 1095273242 SKZMOXPGAGXYAB-LLVKDONJSA-N 302.338 -0.113 30 20 DBED COCC(=O)NCCN1CCN(c2ccc(C#N)cn2)CC1 1096267683 IFZHJGBKDJYXLG-UHFFFAOYSA-N 303.366 -0.162 30 20 DBED N#Cc1cccnc1N[C@@H](CNC(=O)[C@H]1CNC(=O)N1)C1CC1 1096799785 ASYDTKVVDWFHFD-NWDGAFQWSA-N 314.349 -0.059 30 20 DBED C[C@@H](C(=O)N[C@H]1C[C@@H](Nc2ccc(C#N)nn2)C1)S(C)(=O)=O 1097264830 JLBHFPZQMLRVAL-INTQDDNPSA-N 323.378 -0.160 30 20 DBED C[C@H](CNC(=O)c1cnn2cc[nH]c12)N=c1cc[nH]c(C#N)n1 1097983441 TZUIDHFURFJYTQ-SECBINFHSA-N 310.321 -0.024 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CCS(=O)(=O)C1)Nc1cncc(C#N)n1 1098136523 IGZXOTKRSDJEQO-VHSXEESVSA-N 323.378 -0.300 30 20 DBED C=CCOCC(=O)N1CC[C@@H](n2cc(CNCCOC)nn2)C1 1098636657 CPSQTLLVFYCYAN-CQSZACIVSA-N 323.397 -0.010 30 20 DBED C#CCNCc1cn([C@@H]2CCN(C(=O)c3csnn3)C2)nn1 1098694621 FYYKRKFIWYTEKR-LLVKDONJSA-N 317.378 -0.060 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)Nc1cnc(C#N)cn1 1098983414 GXZMHOHAEHFNKJ-NSHDSACASA-N 314.349 -0.206 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)CCSC)[C@H](O)C1 1099656850 LEZLDBBOUVFUGF-NWDGAFQWSA-N 313.423 -0.960 30 20 DBED Cc1ccoc1C(=O)N[C@H]1CCN(CC(=O)NCC#N)C[C@@H]1O 1099662719 CNNRXPDRUCPEJQ-RYUDHWBXSA-N 320.349 -0.607 30 20 DBED Cn1ccnc1CN1CC[C@H](NC(=O)CSCC#N)[C@H](O)C1 1099690528 PUVCGTDYKAECSL-NWDGAFQWSA-N 323.422 -0.272 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCN(Cc2nnc(C)o2)C[C@H]1O 1099832432 HIDIKSQAOYXSBL-CHWSQXEVSA-N 322.365 -0.531 30 20 DBED C#CCCN1CC[C@H](NC(=O)CN(C)C(=O)C(C)C)[C@H](O)C1 1099861758 YJOUAFNPPVYGPE-UONOGXRCSA-N 309.410 -0.325 30 20 DBED C=CCCN1CC[C@@H](NC(=O)CN(C)C(=O)C2CC2)[C@H](O)C1 1099865073 YLGZJDLYKKQOJM-ZIAGYGMSSA-N 309.410 -0.018 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2c[nH]nc2C)[C@H](O)C1 1099937736 MUFYNMNOIMXSJG-UONOGXRCSA-N 306.366 -0.467 30 20 DBED C#CCNC(=O)CC(=O)NCCN(C)c1nc(C)ncc1C 1100037794 TUEKLZKCBRHYJC-UHFFFAOYSA-N 303.366 -0.215 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2ccnc(C)n2)[C@H](O)C1 1100113606 CUHZNHHOPAWBGW-DZGCQCFKSA-N 318.377 -0.400 30 20 DBED C=CCCN1CC[C@H](NC(=O)CS(=O)(=O)CC)[C@H](O)C1 1100130269 ZJIGTXYAGWVLOR-NWDGAFQWSA-N 304.412 -0.451 30 20 DBED C#CCNC(=O)CN1CC2(C[C@@H](NC(C)=O)c3nccn32)C1 1101599722 UOAVAYAMALKYME-GFCCVEGCSA-N 301.350 -0.776 30 20 DBED COC[C@H](C)C(=O)NCC[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1102773540 HUXXWINDXNLUFJ-HZSPNIEDSA-N 324.425 -0.017 30 20 DBED C[C@H](CNC(=O)C1(C(N)=O)CC1)CNc1cncc(C#N)n1 1104192001 PUPBJJHQNIVKSM-VIFPVBQESA-N 302.338 -0.222 30 20 DBED C[C@H](CNC(=O)CC(=O)N(C)C)CNc1ccc(C#N)nn1 1104229225 FLQIHQBJSDRPHV-JTQLQIEISA-N 304.354 -0.009 30 20 DBED Cc1cc(C#N)nc(NC[C@H](C)N(C)C(=O)[C@H]2CNC(=O)N2)n1 1104784432 GMKBYHCMKXNNNP-GXSJLCMTSA-N 317.353 -0.403 30 20 DBED CNC(=O)NCC(=O)N(C)[C@H](C)CN=c1cc(C)[nH]cc1C#N 1104855747 ARYAVUPMLSSIIS-LLVKDONJSA-N 318.381 -0.129 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)[C@@H]1CCC(=O)NC1 1104868140 SHLOLLHBNKBJNQ-GHMZBOCLSA-N 316.365 -0.445 30 20 DBED C=CCNCc1cn(C2CN(C(=O)Cc3ccn(C)n3)C2)nn1 1105238277 UAEDWLIBMHHELI-UHFFFAOYSA-N 315.381 -0.087 30 20 DBED C=CCNCc1cn(C2CN(C(=O)[C@@H]3CCC(=O)N3C)C2)nn1 1105305678 LZYZUYCRNXQBIG-ZDUSSCGKSA-N 318.381 -0.442 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNc1nc(O)c2cnn(C)c2n1 1105774931 XLFZXPCRVARDHP-JGVFFNPUSA-N 319.325 -0.882 30 20 DBED C#CCOCCC(=O)N(CC)CCNc1ccc2nnnn2n1 1106852446 FKKODNXBKOEHNB-UHFFFAOYSA-N 317.353 -0.180 30 20 DBED CC(=O)N[C@@H](C)C(=O)NC/C=C\CNc1cnc(C#N)cn1 1107021403 RYKSEXMSFFOHHR-XOULXFPDSA-N 302.338 -0.043 30 20 DBED C[C@H](CNc1nccnc1C#N)NC(=O)[C@@H]1CCCS1(=O)=O 1107773262 NZLLZPWFWDSESQ-KOLCDFICSA-N 323.378 -0.158 30 20 DBED CCCNC(=O)CCC(=O)N[C@H](C)CN=c1cc[nH]c(C#N)n1 1107868413 WIYQTFNITITERZ-LLVKDONJSA-N 318.381 -0.007 30 20 DBED C[C@H](CNc1cnc(C#N)cn1)NC(=O)[C@]1(C)CCNC1=O 1108105437 GMZRSXNQVHFRRS-YMTOWFKASA-N 302.338 -0.209 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1CC(=O)N(C2CN(C[C@H](C)O)C2)C1 1108560348 JYMNGNXJDSDAIX-NWDGAFQWSA-N 309.410 -0.019 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)[C@H]1CCNC(=O)CC1 1108614782 WOPBMRYXSUZWIT-WDEREUQCSA-N 316.365 -0.397 30 20 DBED C[C@@H](CNc1ccc(C#N)nc1)NC(=O)[C@@H]1CC(=O)NC(=O)N1 1108720489 MYZMUYNQZODYRY-KWQFWETISA-N 316.321 -0.532 30 20 DBED CN(CCCN=c1cc[nH]cc1C#N)C(=O)CN1CCOCC1 1109409085 KQGZRUVQMZINBQ-UHFFFAOYSA-N 317.393 -0.032 30 20 DBED C#CCOCCC(=O)N(C)CCCNc1nccn2nnnc12 1109524941 SFARAZHUSKYVOE-UHFFFAOYSA-N 317.353 -0.180 30 20 DBED C[C@H](NC(N)=O)C(=O)N[C@@H](CN=c1cc[nH]c(C#N)n1)C1CC1 1109843317 XVADKXIMAIANLV-WPRPVWTQSA-N 317.353 -0.866 30 20 DBED C[C@@H](C(=O)NCC1(Nc2cncc(C#N)n2)CC1)S(C)(=O)=O 1110391014 QTLKOZXNEOPTOI-VIFPVBQESA-N 323.378 -0.158 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H]1CNC(=O)N1 1110957783 ANRUFHOCRVNVBP-NDBYEHHHSA-N 306.366 -0.961 30 20 DBED CO[C@@H](C)CC(=O)NC[C@@]1(O)CCN(c2cncc(C#N)n2)C1 1111045307 HXAFZTMMXYFHGP-NHYWBVRUSA-N 319.365 -0.169 30 20 DBED C=CCOCC(=O)N(CCO)CCNc1nc[nH]c2ncnc1-2 1111445122 MHCOETRFLRECFQ-UHFFFAOYSA-N 320.353 -0.260 30 20 DBED Cc1c[nH]cc1C(=O)N(CCO)CCN=c1cc[nH]c(C#N)n1 1111475572 VRAGEWNTZVNGBL-UHFFFAOYSA-N 314.349 -0.047 30 20 DBED C#CCO[C@@H](C)C(=O)N(CCO)CCNc1ncc(F)cn1 1111510814 MIAKZIQVLACOTR-NSHDSACASA-N 310.329 -0.113 30 20 DBED N#CCNC(=O)CN1C[C@@H]2CCC[C@]2(NC(=O)c2cnon2)C1 1111906262 ABPSCFCJNRNUGA-HZMBPMFUSA-N 318.337 -0.706 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1C(F)(F)F 1112073099 BKKBABXOIYCBEX-NXEZZACHSA-N 321.299 -0.510 30 20 DBED C#CCNC(=O)CC(=O)N1CCN([C@@H](C)c2n[nH]c(C)n2)CC1 1112777886 QWAXHFYPIUVMNL-NSHDSACASA-N 318.381 -0.542 30 20 DBED CC(=O)NCC(=O)N1CCC[C@H]1CN(C)c1cnc(C#N)cn1 1112778484 MVOUAXKAVIIGOM-ZDUSSCGKSA-N 316.365 -0.088 30 20 DBED C=CCN1CC[C@@H](N2CCN(C(=O)CC(=O)NC)CC2)C1=O 1112794116 ZPROWRKPLFQCMR-GFCCVEGCSA-N 308.382 -0.946 30 20 DBED N#Cc1c[nH]ccc1=NCC1CC(NC(=O)CCNC(N)=O)C1 1112840419 YYVQISKUYJCUCH-UHFFFAOYSA-N 316.365 -0.260 30 20 DBED CNC(=O)NCCC(=O)N[C@H](C)[C@H](C)N=c1cc[nH]cc1C#N 1113002598 YKJUYYDYYVLIMH-WDEREUQCSA-N 318.381 -0.001 30 20 DBED C[C@H](CNC(=O)CN1CCCC1=O)N(C)c1ccc(C#N)nn1 1113488660 KFNDJAQIKFMIBT-LLVKDONJSA-N 316.365 -0.088 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)Cc2nc[nH]n2)CC1 1113518622 ULHIMNLLMRYPPW-LLVKDONJSA-N 306.370 -0.818 30 20 DBED Cc1cc(C#N)nc(N(C)[C@@H](C)CNC(=O)[C@H]2CCNC2=O)n1 1113802931 XQROCCYXRKOWMM-JQWIXIFHSA-N 316.365 -0.266 30 20 DBED Cc1noc(C)c1C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1113840462 ZZHBTMNNSYWFBB-YABSGUDNSA-N 317.349 -0.409 30 20 DBED Cc1ccc(C(=O)NC2[C@H]3CN(CC(=O)NCC#N)C[C@H]23)n1C 1113864876 PVBDJJAAHXNIBH-RYUDHWBXSA-N 315.377 -0.367 30 20 DBED C=CCCC(=O)NC1[C@@H]2CN(C[C@H](O)CN3CCCC3=O)C[C@@H]12 1114020903 LMFWXMBJYPYNED-BFHYXJOUSA-N 321.421 -0.018 30 20 DBED COCCCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@H](C)C#N)[C@H]2C1 1114067891 YCIAFMNDUXTWJI-NMKXLXIOSA-N 308.382 -0.655 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@@H](C)n3cncn3)[C@H]2C1 1114147355 WSJWMHIXJGTKRP-NMKXLXIOSA-N 318.381 -0.812 30 20 DBED C#CCOCCC(=O)N[C@H]1[C@@H]2CN(CC(=O)N(C)C(C)C)C[C@@H]21 1114265823 JRKZLZINOCPXLV-HALDLXJZSA-N 321.421 -0.061 30 20 DBED C#CCO[C@H](C)C(=O)NC1[C@H]2CN(Cc3cn(C)nn3)C[C@H]12 1114270227 BOLBODNLWRLFIU-WXHSDQCUSA-N 303.366 -0.600 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)c3c(C)ncn3C)[C@H]2C1 1114432112 ZNCHBILDEIPGEM-RYUDHWBXSA-N 317.393 -0.309 30 20 DBED C=CCOCCN1C[C@@H]2C(NC(=O)[C@H]3CN(C)C[C@@H](C)O3)[C@H]2C1 1114453867 ROWGVCJAWKGROG-CBBWQLFWSA-N 323.437 -0.046 30 20 DBED CCCNC(=O)CCC(=O)NC1[C@H]2CN(CC#CCOC)C[C@H]12 1115139358 BKKZDVBCDXANTQ-KBPBESRZSA-N 321.421 -0.011 30 20 DBED N#CC1(NC(=O)COC(=O)c2ccc(C(N)=O)nc2)CCC1 1117286576 NHPYQPUCMLTKMX-UHFFFAOYSA-N 302.290 -0.100 30 20 DBED Cn1nnc2c1CC[C@H](NC(=O)NC1CCN(CC#N)CC1)C2 1118309296 PEHJQPKPCZMPSJ-LBPRGKRZSA-N 317.397 -0.040 30 20 DBED C=CCOCCNC(=O)C(=O)N[C@@H]1CCN(C(C)(C)C)C1=O 1118564636 CXZCMZOBYFMQSA-LLVKDONJSA-N 311.382 -0.179 30 20 DBED C#CCN(C(=O)C(=O)NCC1(S(C)(=O)=O)CCC1)C(C)C 1119872560 JEBWTAFFZAZEOU-UHFFFAOYSA-N 314.407 -0.060 30 20 DBED CC(=O)N[C@H](C)C(=O)NC[C@H](CO)Nc1ncc(C#N)cc1F 1121177534 MJVKDZSPLMGIDA-LDYMZIIASA-N 323.328 -0.494 30 20 DBED Cc1cc(CC(=O)NC[C@H](CO)Nc2cnc(C#N)cn2)no1 1121229356 WJSUZIURXKEMTK-GFCCVEGCSA-N 316.321 -0.224 30 20 DBED CS[C@H](C)CC(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1 1121346120 LKRRXHGFWMIHKM-ZJUUUORDSA-N 309.395 -0.199 30 20 DBED C=CCO[C@@H](C)C(=O)NC[C@@H](CO)Nc1ncnc2[nH]cnc12 1121748516 BVULRTAIRSOLQV-UWVGGRQHSA-N 320.353 -0.167 30 20 DBED COC[C@H](C)CC(=O)NC[C@@H](CO)Nc1cnc(C#N)cn1 1121985888 VAPAWKULPVFZDO-PWSUYJOCSA-N 307.354 -0.090 30 20 DBED CO[C@H](C(=O)NC[C@@H](CO)Nc1cncc(C#N)n1)C(C)C 1122444965 LTCCLSXUCGGPBF-AAEUAGOBSA-N 307.354 -0.092 30 20 DBED C[C@H]1[C@H](NC(=O)CC(N)=O)CCCN1c1nccnc1C#N 1123523283 SOQCPLYXKMKGJQ-VHSXEESVSA-N 302.338 -0.303 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]cc1C#N)C(=O)[C@H]1CCCO1 1124066042 QQQSCIVFTORQPZ-TZMCWYRMSA-N 304.350 -0.215 30 20 DBED CN(C[C@H](O)CNc1cnc(C#N)cn1)C(=O)[C@]1(F)CCOC1 1124665109 HNHIKNOESYPRBF-RISCZKNCSA-N 323.328 -0.292 30 20 DBED CCC[C@@H](OC)C(=O)N(C)C[C@H](O)CN=c1cc[nH]c(C#N)n1 1124673071 YHAPTSYFXBPGRY-VXGBXAGGSA-N 321.381 -0.184 30 20 DBED C[C@@H]1CC[C@H](C(=O)N(C)C[C@@H](O)CN=c2cc[nH]c(C#N)n2)O1 1124769875 OUBIGPXBTBCKDO-GRYCIOLGSA-N 319.365 -0.431 30 20 DBED CN(C[C@H](O)CNc1cncc(C#N)n1)C(=O)Cc1cnc[nH]1 1124785673 CSNNKCOQUROCDH-GFCCVEGCSA-N 315.337 -0.455 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)[C@@H]2CCNC(=O)C2)C1=O 1125631113 SPFVDYSXBVPWGI-VXGBXAGGSA-N 308.382 -0.995 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)c1c(C)ccn1C 1126260720 FGIMZJDAZUGNAF-UHFFFAOYSA-N 321.381 -0.335 30 20 DBED C#CCO[C@H](C)C(=O)NCCNC[C@H]1CCCS(=O)(=O)C1 1127046831 UVQHGYYESWXPIL-CHWSQXEVSA-N 316.423 -0.445 30 20 DBED C=CCOCCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H](C)OC)C1 1128780732 VSOIBPGEOIOKIX-MJBXVCDLSA-N 323.397 -0.143 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CN(Cc2ccon2)C[C@@H]1n1ccnn1 1128829138 CDWDINCZAJXOGG-RTXFEEFZSA-N 315.337 -0.033 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)CCc2cnc[nH]2)C1=O 1128967393 OQZKNFDCWLZPKA-ZDUSSCGKSA-N 305.382 -0.165 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1cc2c([nH]1)CCOC2 1129234857 FZBLELYPOUPZRA-UHFFFAOYSA-N 306.366 -0.291 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)c1c(C)ncn1C 1129959696 JLKIAICAJHFRAD-UHFFFAOYSA-N 322.369 -0.940 30 20 DBED CC#CCN[C@@H]1CN(C(=O)Cc2ncc[nH]2)C[C@@H]1n1ccnn1 1130056931 AIUCXTQKNILQRS-OLZOCXBDSA-N 313.365 -0.391 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1cnc2[nH]ncc2c1 1130098664 JXITZBSOCVJYJL-SNVBAGLBSA-N 314.349 -0.585 30 20 DBED C#CCN1CC[C@H](c2n[nH]cc2CNC(=O)Cn2nccn2)C1 1130392597 QDGHHPFGBFUFCY-LBPRGKRZSA-N 313.365 -0.260 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1ccc(N(C)C)nc1 1130715774 JQXCXPKTNKAYNH-UHFFFAOYSA-N 305.382 -0.231 30 20 DBED C#CCN[C@@H]1CN(C(=O)COCCOC)C[C@H]1c1cncn1C 1130940868 LZNXDMIMAKYFOB-ZIAGYGMSSA-N 320.393 -0.400 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)COCCOCC)C[C@@]3(C1)O2 1131291541 QEURNIDSFROJQC-BFYDXBDKSA-N 322.405 -0.026 30 20 DBED CCOc1cccc(CC(=O)NCCNCC(=O)NCC#N)n1 1131576367 HBDFNVNKBWBDKN-UHFFFAOYSA-N 319.365 -0.632 30 20 DBED C=CCN1CC[C@@]2(C1)CN(C(=O)CNC(=O)NC)C[C@H](C)O2 1131666802 SEPMXVPLXPPHFB-SWLSCSKDSA-N 310.398 -0.207 30 20 DBED C=CCOCC(=O)N[C@@H]1CC[C@H](C)N(CC(=O)NCC#N)C1 1131947671 XKHYOOPMUANBHQ-QWHCGFSZSA-N 308.382 -0.202 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)C(C)(C)C(N)=O)CC[C@@H]1C 1132120417 RHQOGGYQMALOGI-RYUDHWBXSA-N 322.409 -0.784 30 20 DBED C#CCOCCC(=O)N[C@@H](C)C[C@@H](C)NCC(=O)NCC#N 1134372223 GPYINWNOZVBKIS-OLZOCXBDSA-N 308.382 -0.461 30 20 DBED Cc1nc[nH]c1C(=O)N[C@@H](C)C[C@@H](C)NCC(=O)NCC#N 1146814191 PHKYRWJULAHCIO-ZJUUUORDSA-N 306.370 -0.156 30 20 DBED CC#CCN1CCCO[C@H](CNC(=O)CN2CCOCC2)C1 1149580543 VDXJQQCXJKIVNE-OAHLLOKOSA-N 309.410 -0.451 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@H]1CN(CCCO)CCCO1 1149623519 KQMSBBWZNJJFSQ-DZGCQCFKSA-N 300.399 -0.097 30 20 DBED N#Cc1ccc(CN2CCCO[C@H](CNC(=O)C(N)=O)C2)s1 1150212621 UBFNJMYUEONVPT-SNVBAGLBSA-N 322.390 -0.188 30 20 DBED C=CCN1CCCO[C@@H](CNC(=O)CN2CCC(=O)NC2=O)C1 1150555215 ZLOTXRSMYAOUKG-LBPRGKRZSA-N 324.381 -0.679 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)c1cnc(C)n1C 1154844552 NANARNLJQBMXJI-LLVKDONJSA-N 320.397 -0.192 30 20 DBED C#CCNC(=O)CNCC1(CCNC(=O)c2ncc[nH]2)CC1 1164454616 ZXAACVXYSZQETN-UHFFFAOYSA-N 303.366 -0.351 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)c1cn(CC)nn1 1169586281 VHLVOYABHNPVAA-NSHDSACASA-N 308.386 -0.302 30 20 DBED C=CCOCCNCCCNC(=O)CCn1cnccc1=O 1169621466 UPSOWVQEVRVIEN-UHFFFAOYSA-N 308.382 -0.068 30 20 DBED C#CCNC(=O)CNCCCNC(=O)COc1ccsc1 1171252076 XILGSQBBEQYFTI-UHFFFAOYSA-N 309.391 -0.028 30 20 DBED CCS(=O)(=O)CC(=O)N1CC[C@H]2OCCN(CC#N)[C@@H]2C1 1177151862 WBDOJBNLLGONKK-VXGBXAGGSA-N 315.395 -0.754 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)Cc2cnn(C)c2)C1 1181487949 OHVAUYTTXQNSOK-TZMCWYRMSA-N 319.409 -0.156 30 20 DBED N#CCNC(=O)CN[C@@H]1CCN(C(=O)c2cccc(O)n2)C1 1181858710 DDWPHOGKNZIOPI-SNVBAGLBSA-N 303.322 -0.769 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2coc(OC)n2)C1 1184639217 YULNRCKSCQUAMZ-GHMZBOCLSA-N 320.349 -0.375 30 20 DBED C#CCNC[C@H]1CCN(C(=O)CN2CC(=O)N(C)C2=O)C[C@@H]1C 1185493379 VAMPEXZYHIIGLD-QWHCGFSZSA-N 320.393 -0.412 30 20 DBED C=CCNC(=O)[C@H](C)N(C)[C@H]1CCN(C(=O)CNC(=O)CC)C1 1189427940 LRHWOCONBVZTBO-STQMWFEESA-N 324.425 -0.264 30 20 DBED Cc1cc(C(=O)N2CC[C@@H](N(C)CC(=O)NCC#N)C2)cnn1 1189819813 ZRYMWECSVSNVRA-CYBMUJFWSA-N 316.365 -0.429 30 20 DBED CCc1ocnc1C(=O)N[C@@H]1CN(CC#CCOC)C[C@H]1O 1191945471 YIYAFBZPMUNGHC-VXGBXAGGSA-N 307.350 -0.338 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@@H]1CCN(C(=O)CCN(C)CC)C1 1193280252 VJBWZXFKRLATNP-LSDHHAIUSA-N 322.453 -0.001 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)[C@@H]2CCN(C)C2)C1 1194001994 MFNOOOLQTFVQFT-KGLIPLIRSA-N 306.410 -0.780 30 20 DBED C=C(C)C(C)(C)C(=O)N[C@@H]1CN(CCOCCO)C[C@H]1O 1195255212 OTKXBUHCQHEIJG-CHWSQXEVSA-N 300.399 -0.241 30 20 DBED C[C@@H]1CCCN1CC(=O)N1CCCN(CC(=O)NCC#N)CC1 1197150551 SCGFRQNTKMFDLF-CQSZACIVSA-N 321.425 -0.355 30 20 DBED C=CCOCC(=O)N1CCCO[C@H](CNC[C@H](O)COC)C1 1200109433 SSWYEBNTSNBCSE-UONOGXRCSA-N 316.398 -0.597 30 20 DBED CCCS(=O)(=O)CC(=O)N1CCCO[C@@H](CNCC#N)C1 1202087906 OSSXOCPQIJAJKC-LBPRGKRZSA-N 317.411 -0.458 30 20 DBED C#CCNC(=O)CN[C@@H]1C[C@@H](NC(=O)CCN(C)C)C12CCC2 1203358986 LWQGFQCPZISALO-ZIAGYGMSSA-N 320.437 -0.296 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)c2nnn(C)c2C)C1 1207732042 YXBFZBKNWGMMIJ-LBPRGKRZSA-N 318.381 -0.933 30 20 DBED CCN(CC)CC(=O)N1CCC[C@@H](NCC(=O)NCC#N)C1 1210217503 JJLNTEJEJWQMQP-CYBMUJFWSA-N 309.414 -0.451 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)CN(C)CCC)[C@H](C)C1 1210513927 PKQUEXDYPNRPBY-ZIAGYGMSSA-N 308.426 -0.486 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(CC(=O)N(C)CC)C[C@H]1OC 1212029907 LVEXAFXAHWEDQZ-CHWSQXEVSA-N 313.398 -0.517 30 20 DBED C=CCN1C[C@@H](NC(=O)CCN2C(=O)CCC2=O)[C@H](OC)C1 1213138970 ALTWWJZXPUYQSQ-VXGBXAGGSA-N 309.366 -0.473 30 20 DBED C=CCCCN1C[C@@H](NC(=O)CN2CCNC(=O)C2)[C@H](OC)C1 1213253913 GKVSFTXIMCNEOI-ZIAGYGMSSA-N 324.425 -0.800 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)CNC(=O)OC)C[C@H]1C 1214227281 VMHCNKASLKBPIZ-GHMZBOCLSA-N 312.370 -0.919 30 20 DBED C[C@@H]1CN(C(=O)Cc2cncnc2)C[C@H]1NCC(=O)NCC#N 1214516282 HBIDFDLTKAAOTM-DGCLKSJQSA-N 316.365 -0.905 30 20 DBED C[C@@H]1CN(C(=O)CC2(O)CCC2)C[C@H]1NCC(=O)NCC#N 1214573486 DEIPHQDARBFDSR-VXGBXAGGSA-N 308.382 -0.632 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H](OCC)C2CC2)C[C@H]1C 1214643318 MSQLOEKQOBGMQV-XPKDYRNWSA-N 321.421 -0.013 30 20 DBED C#Cc1ccc(C(=O)N2C[C@@H](NCC(=O)NC)[C@H](C)C2)cn1 1216447873 DDNIETMGGUGVTR-BXUZGUMPSA-N 300.362 -0.141 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H]2[C@@H](C1)OCCN2C(=O)C(F)F 1217166102 PVFMJOOWZYFWOS-OUAUKWLOSA-N 315.320 -0.699 30 20 DBED COC[C@@H](O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)C#CC1CC1 1217834142 DQVWDUVYJBTKQD-SOUVJXGZSA-N 308.378 -0.681 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CN(CC(=O)Nc2nccs2)C[C@@H]1O 1219378885 HYTCUTIGNLQVHS-BBBLOLIVSA-N 323.378 -0.597 30 20 DBED COCc1noc(CN2C[C@H](O)[C@H](NC(=O)[C@H](C)C#N)C2)n1 1219379715 XFMROAOFWKQHQJ-BBBLOLIVSA-N 309.326 -0.963 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2cnc(C)nc2)C[C@@H]1O 1219605307 OLUYPGZQHBFGIV-GLQYFDAESA-N 318.377 -0.515 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(CC[C@@H]2CCOC2)C[C@@H]1O 1219609439 RDMPVFZEZKQMSX-KFWWJZLASA-N 310.394 -0.386 30 20 DBED C=CCOCC(=O)N1C[C@H]2CCN(Cc3nnn(C)n3)C[C@H]21 1221443135 NQTXHZGACNDKCN-VXGBXAGGSA-N 306.370 -0.555 30 20 DBED COCC#CCN[C@H]1CCCN(C(=O)[C@H](C)N2CCOCC2)C1 1222143081 RPTYWLOEOYDTLS-HOTGVXAUSA-N 323.437 -0.063 30 20 DBED C=CCN1CCC(CNC(=O)CN(C)S(C)(=O)=O)CC1 1223374276 NTKJSYWKZFLHAC-UHFFFAOYSA-N 303.428 -0.108 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC(NC(=O)c2cnn(C)n2)CC1 1229609470 DGTUTADVMOMMKU-LLVKDONJSA-N 318.381 -0.853 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)c1cc(OC)no1 1233743418 XXCXQHMXWJIIBL-LLVKDONJSA-N 320.349 -0.421 30 20 DBED C#CCNC(=O)CC(=O)N(C)C[C@H]1CCN1Cc1cnns1 1233810984 SUTSEGVWTJOTLA-LLVKDONJSA-N 321.406 -0.290 30 20 DBED C[C@@H]1CCCN(CCNC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)C1 1261463765 AUPVFYWLMAOEDU-CJNGLKHVSA-N 322.409 -0.288 30 20 DBED CCOCCN(C)C(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1261849707 NFPCFPLETBMUHK-CYBMUJFWSA-N 308.382 -0.320 30 20 DBED CN(C[C@H](O)CNC(=O)C#CC1CC1)C(=O)[C@H]1CCCN1C 1288066248 HARXBKOROYCFIK-ZIAGYGMSSA-N 307.394 -0.571 30 20 DBED COC(=O)C1(NC(=O)CCN/C(O)=C2/N=CC=CC2=O)CC1 1319635564 NLBVJIIRWFIBBQ-QXMHVHEDSA-N 307.306 -0.275 30 20 DBED C=C(C)CN1CCC(NC(=O)C(=O)N2C[C@H]3C[C@]3(CO)C2)CC1 1322542796 ITLRFFAYFSIJNL-CXAGYDPISA-N 321.421 -0.016 30 20 DBED CSC[C@](C)(C#N)NC(=O)c1cn(CC(=O)N(C)C)nn1 1323538389 QSGQNOASRIBHTB-LBPRGKRZSA-N 310.383 -0.259 30 20 DBED N#Cc1ncn(CCNC(=O)c2ccc(-n3ccnc3)nn2)n1 1324353431 CQZSDISPNWDCPS-UHFFFAOYSA-N 309.293 -0.445 30 20 DBED CC#CC[C@H](CO)NC(=O)C(=O)Nc1cccc(C(N)=O)c1C 1326088862 ZBTOAJAHYDAFNY-LLVKDONJSA-N 317.345 -0.077 30 20 DBED Cc1nn(C)cc1[C@@H](C)NC(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1328258743 WJIWTCMDGQWALO-BMIGLBTASA-N 319.365 -0.217 30 20 DBED CCOC(Cn1cc(C(=O)NCC(=O)NCC#N)nn1)OCC 1328650033 PHWLAUVQXYAQMW-UHFFFAOYSA-N 324.341 -0.953 30 20 DBED CN(CCN1CCCC1=O)C(=O)C(=O)Nc1cccc(C#N)n1 1329287973 PFJAHKQLGIYWJS-UHFFFAOYSA-N 315.333 -0.027 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CC[C@@H](C)[C@@H]1C 1329811402 CKEGSCBSWQEGOD-MNOVXSKESA-N 302.396 -0.040 30 20 DBED N#CC1(NC(=O)[C@@H]2CCCN(S(N)(=O)=O)C2)CCOCC1 1330899785 HOXPXPJUFXSTCP-SNVBAGLBSA-N 316.383 -0.909 30 20 DBED C#CCNC(=O)C1CCN(C(=O)[C@@]2(CC)CCNC2=O)CC1 1332006349 INSHYKYNIHLJDM-INIZCTEOSA-N 305.378 -0.109 30 20 DBED C#CCSCCNC(=O)C(=O)N1CCOC[C@H]1CCO 1333356930 QARXRFYBHZBFOW-LLVKDONJSA-N 300.380 -0.921 30 20 DBED C#CCN1CCC[C@H](NC(=O)NC[C@@H](O)c2cnn(C)c2)C1 1333678495 RXIWHUUWALPAQF-UONOGXRCSA-N 305.382 -0.150 30 20 DBED C=CCCOCCn1nnnc1N1CC[C@@H](S(C)(=O)=O)C1 1334242330 YXXIMDPKJQAULR-LLVKDONJSA-N 315.399 -0.111 30 20 DBED C#CCOCCn1nnnc1N1CC[C@H]2COC(=O)N[C@@H]2C1 1334393026 NHQNLRQFFNRSKQ-WDEREUQCSA-N 306.326 -0.742 30 20 DBED CN1CCC[C@H](NC(=O)CCN/C(O)=C2/N=CC=CC2=O)C1=O 1335315302 ZWCBTOAXXJGOHP-DZOVYVGFSA-N 320.349 -0.360 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCc2ncccn2)C1=O 1336042146 VUBXWMMZVYESIW-UHFFFAOYSA-N 303.278 -0.930 30 20 DBED CC1CCN(CCNC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)CC1 1345841271 WHBLYEYDZOUSOB-INIZCTEOSA-N 322.409 -0.288 30 20 DBED CC1=NO[C@@H](CNC(=O)CCn2cc(C#N)c(O)nc2=O)C1 1363015584 GZOZKGIVMRMMFP-SNVBAGLBSA-N 305.294 -0.508 30 20 DBED N#Cc1cnn2c(O)cc(CN3CCSC[C@H]3C(N)=O)nc12 1364367138 UQAWMDHMFLNHAD-JTQLQIEISA-N 318.362 -0.291 30 20 DBED Cc1nonc1CC(=O)N(C)C[C@@H](O)CNC(=O)[C@H](C)C#N 1371031263 MNDGMEDJVNEHMP-SCZZXKLOSA-N 309.326 -0.984 30 20 DBED C[C@@H](C#N)C(=O)NCC1CCN(C(=O)Cn2cnnn2)CC1 1372147576 IPRZAHQUJKVAMP-JTQLQIEISA-N 305.342 -0.812 30 20 DBED CNC(=O)NCC(=O)N1CCC2(C1)CN(C(=O)[C@H](C)C#N)C2 1384561826 PXULMRZDQKOCNH-SNVBAGLBSA-N 307.354 -0.864 30 20 DBED C[C@H](C#N)C(=O)N1CCN(CCNC(=O)[C@@H]2CCOC2)CC1 1385549607 QHRXNQGLHKDPSG-CHWSQXEVSA-N 308.382 -0.557 30 20 DBED C[C@@H](CNC(=O)c1ccc(C#N)[nH]1)NC(=O)CS(C)(=O)=O 1386719448 JEDZIVPPUAHXJT-QMMMGPOBSA-N 312.351 -0.835 30 20 DBED C[C@H](CNC(=O)c1cn(C)nn1)NC(=O)c1cc(C#N)c[nH]1 1386755199 OQVNEEBGEJFLOF-MRVPVSSYSA-N 301.310 -0.437 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)[C@@H]2CCc3nncn3C2)CC1 1389960722 NCJRCNPBRQUBID-GHMZBOCLSA-N 316.365 -0.235 30 20 DBED CN(C[C@@H](O)CNCc1ncccn1)C(=O)c1cc(C#N)c[nH]1 1394736407 PYQLZCPWRFISCE-LBPRGKRZSA-N 314.349 -0.101 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](C)CN(C)C(=O)CCN1CCOCC1 1395627204 XYSHIDWAODPICE-QWHCGFSZSA-N 310.398 -0.169 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)C(C)(C)S(C)(=O)=O)C1 1397220114 BMCWGAOGTQSWHV-GUBZILKMSA-N 315.395 -0.267 30 20 DBED CC(=O)NCC(=O)N[C@H](C)CN(C)C(=O)c1cc(C#N)c[nH]1 1405011224 MBPPIPSBZCULQD-SECBINFHSA-N 305.338 -0.401 30 20 DBED C[C@H](C#N)C(=O)NCC1CCN(C(=O)[C@@H]2CC(=O)N(C)C2)CC1 1407342926 XHFPHOIUCLUHFN-DGCLKSJQSA-N 320.393 -0.021 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)CCn3ccnn3)[C@H]2C1 1408021387 UXYVRUWLZBPKMJ-MEWQQHAOSA-N 302.338 -0.599 30 20 DBED COC[C@@H](OC)C(=O)N1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 1414495238 MJIHNCATROLHCR-CYBMUJFWSA-N 320.349 -0.168 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)c2cccc(C(N)=O)n2)C1 1414967677 JLROYMSDUCJJJN-OPRDCNLKSA-N 315.333 -0.283 30 20 DBED C=C(Br)CNC[C@H](O)CNC(=O)[C@H]1CCC(=O)N1 1422267539 SCTTYYJWDDVMHZ-DTWKUNHWSA-N 320.187 -0.760 30 20 DBED C[C@H](CCNC(=O)c1cnn[nH]1)NC(=O)c1ccc(C#N)[nH]1 1431053070 KINQHBQKHGRRED-MRVPVSSYSA-N 301.310 -0.057 30 20 DBED CNC(=O)NCC(=O)NC[C@@]1(C)CCCN(C(=O)[C@H](C)C#N)C1 1434311504 SPPAYLXVCKGMEI-IAQYHMDHSA-N 323.397 -0.180 30 20 DBED COCC(=O)NCCC(=O)N1CC[C@H](NC(=O)[C@@H](C)C#N)C1 1447022753 FXKKPADUSLALGU-QWRGUYRKSA-N 310.354 -0.984 30 20 DBED COc1ccc(CN(C)c2[nH]c(=O)n(C)c(=O)c2C#N)cn1 1472829713 XJKGUNSJTOVZOL-UHFFFAOYSA-N 301.306 -0.015 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(NC(=O)CCn2cnnn2)CC1 1492125687 PHCGZVATJYQSJI-JTQLQIEISA-N 305.342 -0.670 30 20 DBED CNC(=O)NCC(=O)N1CCC[C@H](N(C)C(=O)[C@H](C)C#N)C1 1495381087 AIPLIGNGJZGWKK-MNOVXSKESA-N 309.370 -0.476 30 20 DBED C[C@H](C#N)C(=O)N(C)C1CC(NCC(=O)NCc2cnn[nH]2)C1 1575166598 DNCISGJIMUTPSS-GRZMOONWSA-N 319.369 -0.840 30 20 DBED O=C1c2ccccc2C(=O)N1CC#CCN1CCNC[C@@H]1CO 1580859059 SXDDMLSDMSIMGG-CYBMUJFWSA-N 313.357 -0.448 30 20 DBED C#CC1(NC(=O)NCCn2cnc(-c3nn[nH]n3)n2)CCCC1 1588333276 JVKGCARWAUNCPQ-UHFFFAOYSA-N 315.341 -0.297 30 20 DBED C#CCN(CC(=O)O)C(=O)N[C@H](CC)CNS(C)(=O)=O 1588409561 GRKDRXDYZFMXKO-SECBINFHSA-N 305.356 -0.956 30 20 DBED C=C(Cl)C[C@H](N)C(=O)N1C[C@@H](C(=O)O)[C@@H](C(=O)OC)C1 1588637017 CKOPJPOPTSOESZ-VGMNWLOBSA-N 304.730 -0.212 30 20 DBED C[C@@]1(C#N)CCCN(C(=O)C(=O)N2CCO[C@H](C(=O)O)C2)C1 1589181566 ABNAEAKLCMOQNP-HZMBPMFUSA-N 309.322 -0.549 30 20 DBED N#CC1(CS(=O)(=O)N2C[C@@H](O)C[C@@H](C(=O)O)C2)CCC1 1601057634 DOFAGIJMJDNCII-ZJUUUORDSA-N 302.352 -0.223 30 20 DBED N#Cc1c(-c2nn[nH]n2)nc(N)n1C[C@@H]1C[C@H]2COC[C@@H]2O1 1606355778 OGCAXGCLLDZTLE-ZKWXMUAHSA-N 302.298 -0.679 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2CN(C[C@@H](O)COC)C[C@@H]2C1 1699987064 FIDPMBKEUBRERT-BYNSBNAKSA-N 310.394 -0.578 30 20 DBED C#CCN(C)C[C@@H]1CCCN(C(=O)c2cn(C)c(=O)nc2O)C1 1752524922 JEBMQGMILTVJBI-LBPRGKRZSA-N 318.377 -0.097 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H](NCC#CCOC)C1 1752636604 VEVRZZVJDXOGQI-JYJNAYRXSA-N 303.406 -0.029 30 20 DBED C#CCCN[C@H]1C[C@@H](NC(=O)Cn2nc3ccccn3c2=O)C1 1752751517 WLYDGENAXDGPFF-BETUJISGSA-N 313.361 -0.244 30 20 DBED C#CCNC(=O)CN[C@@H](C)CNC(=O)[C@@H](C)Cn1ccc(C)n1 1752875870 YJGDIRFYNDZWPS-JSGCOSHPSA-N 319.409 -0.329 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@@H]1CCN(C(=O)CCOCC)C1 1752932326 JWRCXFZEFBBQFW-KGLIPLIRSA-N 309.410 -0.011 30 20 DBED C=CCNC(=O)CN1CC[C@H](CNC(=O)C(C)(C)NC(C)=O)C1 1753136122 SGGAEGISUSYQOS-CYBMUJFWSA-N 324.425 -0.359 30 20 DBED C=CCCO[C@@H](C)C(=O)NCC1CN([C@@H]2CCC(=O)NC2=O)C1 1753397810 UQOOYAAVCBYSKC-WCQYABFASA-N 323.393 -0.179 30 20 DBED N#CCNCc1ccc(CNC(=O)[C@H]2CCS(=O)(=O)N2)cc1 1753592156 BBHULDZEOIPTLA-CYBMUJFWSA-N 322.390 -0.392 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2ccnn2C)C[C@@H]1C 1753770584 WJYPLWRAQFKQJR-QWHCGFSZSA-N 317.393 -0.390 30 20 DBED C=CCCN(C)CCN(C)C(=O)CN1CCS(=O)(=O)CC1 1753868627 PFBKVCXTXSQICK-UHFFFAOYSA-N 317.455 -0.317 30 20 DBED C#CCCCC(=O)N[C@H]1[C@H]2C[C@H]1N(CC(=O)NC(=O)NC)C2 1754424008 NYSKVNKWIHMNRU-WDMOLILDSA-N 306.366 -0.566 30 20 DBED CC#CCNC[C@H](NC(=O)C(C)(C)NS(C)(=O)=O)C1CC1 1754455886 VKRCTDNSGRYODH-LBPRGKRZSA-N 315.439 -0.178 30 20 DBED C#CCN(C(=O)[C@H]1CN(C)C(=O)N1)C1CCN(CC#N)CC1 1754639738 UQYBPSKQUTWUIM-CYBMUJFWSA-N 303.366 -0.540 30 20 DBED C#CCNC(=O)CN1CC[C@](C)(NC(=O)[C@@H](OC)C2CC2)C1 1754672949 RIENTXOCKMLDSI-HOCLYGCPSA-N 307.394 -0.259 30 20 DBED CC#CCN1CC[C@@](O)(CNC(=O)[C@H](C)CS(C)(=O)=O)C1 1754762858 ZIKAHRWMQMCUNQ-TZMCWYRMSA-N 316.423 -0.757 30 20 DBED C=CCCOCC(=O)N1C[C@@H]2CN(CC(=O)NC(N)=O)C[C@@H]2C1 1754848073 QFWSMOAASGKNNF-TXEJJXNPSA-N 324.381 -0.836 30 20 DBED CCCC[C@@H](CNCC#CCOC)NC(=O)[C@@H]1CNC(=O)N1 1755359627 GXISVZRSDBPGHJ-STQMWFEESA-N 310.398 -0.418 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(CNC(=O)[C@]3(F)CCOC3)[C@H]2C1 1755427193 AUKGGSNOQMAUEW-IOASZLSFSA-N 323.368 -0.842 30 20 DBED C=CCNC(=O)CN[C@@H](C)[C@@H]1CN(C(=O)c2ccon2)CCO1 1755439518 QPVGHXKDJOPIFZ-AAEUAGOBSA-N 322.365 -0.204 30 20 DBED C#CCNC(=O)CNCCC[C@@H](C)NC(=O)c1cnn(C)c1N 1755494557 WFNCPYHRJXQQBR-LLVKDONJSA-N 320.397 -0.760 30 20 DBED C=CCN1CC[C@H](NC[C@@H](O)CN(C)C(=O)C(F)F)C1=O 1755770488 UUKPSNWIAHTACL-ZJUUUORDSA-N 305.325 -0.553 30 20 DBED C[C@H](NCCOCCN(C)C(=O)c1c[nH]c(C#N)c1)C(N)=O 1755872265 FDHJYMQPKBRUBY-JTQLQIEISA-N 307.354 -0.562 30 20 DBED C[C@@H](C#N)C(=O)NCCOCCCNC(=O)[C@@H]1CCC(=O)NC1 1756401359 HWUFWLMEWARGLE-NWDGAFQWSA-N 324.381 -0.689 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H](CO)NC(=O)Cc1cccs1 1756520758 CWYPIKZYCBIETR-VXGBXAGGSA-N 324.402 -0.078 30 20 DBED O=C(C#CC1CC1)N[C@H]1CC[C@@H](CNC(=O)Cn2cnnn2)C1 1756640054 NTNBJDONKHKERB-OLZOCXBDSA-N 316.365 -0.512 30 20 DBED Cn1c([C@H]2CCC(=O)NC2)nnc1N1CCN(CCC#N)CC1 1772158889 MSKCLGVJUMFYHV-LBPRGKRZSA-N 317.397 -0.156 30 20 DBED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C#N)CC3)C[C@@H]21 1790790553 KYYBWYPDWVIDCE-AVGNSLFASA-N 301.346 -0.097 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CCN(C)CC1)C2 1800451968 BAUIOEFSLKMAKB-MIFYACCESA-N 319.405 -0.449 30 20 DBED C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@](C)(O)CC(=O)O 1802331035 LVWOSMNRDVDEKF-BUWBCJGYSA-N 322.361 -0.126 30 20 DBED N#CCC(=O)N1CCCC12CN(C(=O)Cn1ccncc1=O)C2 1842623600 RYXLLQSXJDKJNJ-UHFFFAOYSA-N 315.333 -0.640 30 20 DBED C#CC(=O)N1CCCC12CN(C(=O)CCN1CCOC1=O)C2 1845959127 IHDHMTOIDOSGJA-UHFFFAOYSA-N 305.334 -0.335 30 20 DBED C#CCCN1CCN(C(=O)c2ccc(=O)n(CCOC)n2)CC1 139268924 QJHQSZYFHJYSCD-UHFFFAOYSA-N 318.377 -0.329 30 20 DBED CNC(=O)Cn1cnc(NC(=O)/C(=N/OC)c2ccco2)n1 266907396 MSKDXGQFZDXUKZ-LICLKQGHSA-N 306.282 -0.394 30 20 DBED C[C@H](C(=O)N1CC(C)(C#N)C1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 281751028 JVGGBVGEBOWIAA-LZQZFOIKSA-N 317.345 -0.091 30 20 DBED CCC[C@]1(CO)CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)C1 288883968 MIPFKECNMJUPOK-HNNXBMFYSA-N 306.366 -0.055 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@H]3NCC[C@H]3C2)C1=O 293447029 PFHHYVOWXGJYRX-QWRGUYRKSA-N 320.349 -0.826 30 20 DBED C#CCN(C)CCCNC(=O)NCCCN1CCC[C@@H]1C(N)=O 296782705 XOUPWHLBBYPYJA-CQSZACIVSA-N 323.441 -0.420 30 20 DBED Cn1nccc1N1CCC[C@H](/N=C(/O)Cn2cnnc2O)C1=O 330148438 MFERNEIPXTZYDH-VIFPVBQESA-N 319.325 -0.131 30 20 DBED CN(C[C@@H]1CCCC[C@H]1O)S(=O)(=O)N1CCO[C@H](C#N)C1 336897304 OHXBNILIVDWJBI-YNEHKIRRSA-N 317.411 -0.062 30 20 DBED CNC(=O)[C@@H]1CCC[C@H]1NS(=O)(=O)N(C)C[C@@H](C)C#N 336902618 XSOODGCKIZLPNY-HBNTYKKESA-N 302.400 -0.173 30 20 DBED CCN(CCC#N)S(=O)(=O)NC[C@H](O)COCC1CC1 337086421 FBYZFDQCDSKMIC-LBPRGKRZSA-N 305.400 -0.156 30 20 DBED CNC(=O)[C@]1(C)CCN(S(=O)(=O)N(C)[C@@H](C)CC#N)C1 337810796 LQHIZRUSBPZJCV-CMPLNLGQSA-N 302.400 -0.077 30 20 DBED N#CCNC(=O)CNC(=O)c1cnnn1-c1cccc(F)c1 344166933 DJRZJOOORXYCRU-UHFFFAOYSA-N 302.269 -0.224 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N1C[C@@H]2[C@H](CCS2(=O)=O)C1 352648659 XNPAUPYJQHMFLE-GMTAPVOTSA-N 321.424 -0.558 30 20 DBED Cn1ncc(C(=O)NC[C@H]2CCCN2S(C)(=O)=O)c1C#N 356583035 TXLHJKIYBVOVDQ-SECBINFHSA-N 311.367 -0.554 30 20 DBED COC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)Cc1cccc(C#N)c1 387549705 BHLQFOBSWFVGIB-STQMWFEESA-N 324.358 -0.004 30 20 DBED C=C(C)CN(C)S(=O)(=O)N1CCN(S(C)(=O)=O)CC1 408134858 WDDFPDULBAICQV-UHFFFAOYSA-N 311.429 -0.684 30 20 DBED C#CCN1CCN(C(=O)CN(C)[C@H](CO)COC(C)C)CC1 491676873 ZKVJFVNLDAKYSA-OAHLLOKOSA-N 311.426 -0.519 30 20 DBED N#Cc1ccc(S(=O)(=O)NCCn2cc(C(=O)O)nn2)o1 516329871 DXLPRSSJWQUFFB-UHFFFAOYSA-N 311.279 -0.581 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)[C@@H](C)N2C(=O)CCC2=O)C1=O 545251240 IRODOKJZSZHRHT-GHMZBOCLSA-N 307.350 -0.231 30 20 DBED N#Cc1ncn(CCNC(=O)NCCOC[C@H]2CCCO2)n1 553585384 MBNAPGYFUVXCOL-LLVKDONJSA-N 308.342 -0.355 30 20 DBED COCC[C@H](NS(=O)(=O)N(CCC#N)CCOC)C(=O)O 573124891 OJINEUDQCGMQQM-JTQLQIEISA-N 323.371 -0.827 30 20 DBED CC(C)OC[C@@H]1C(=O)N(CCn2cnc(C#N)n2)C(=O)N1C 586869286 WIPRPWUWPLIIQU-SNVBAGLBSA-N 306.326 -0.163 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)Nc2nnc3nc[nH]n23)cc1 590552986 RINOXMOSAHIIOH-UHFFFAOYSA-N 310.277 -0.307 30 20 DBED Cn1nnc(CNCCS(=O)(=O)c2ccc(C#N)cn2)n1 591763815 KNSYPKIQFBWWMZ-UHFFFAOYSA-N 307.339 -0.960 30 20 DBED Cc1nsc(N2CCN(C(=O)[C@@H]3CC(=O)N3)CC2)c1C#N 597667714 DZHPPYFTMAPOHD-JTQLQIEISA-N 305.363 -0.140 30 20 DBED N#Cc1ncccc1S(=O)(=O)NCc1nnnn1C1CC1 617472729 NMWOHYRIZIVVJL-UHFFFAOYSA-N 305.323 -0.247 30 20 DBED C=CCn1cc(C(=O)NCCCN2CCC[C@H](C(N)=O)C2)nn1 648762573 METSQDSJAIVAJJ-LBPRGKRZSA-N 320.397 -0.219 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H](CCO)C2)C1=O 677444800 LOOKJTGSNPEQMC-LLVKDONJSA-N 323.349 -0.416 30 20 DBED C=CCN(C)C(=O)C(=O)N[C@H]1C[C@H](C)N(c2cnn(C)c2)C1=O 685170844 UYKVKVUGOJESTI-JQWIXIFHSA-N 319.365 -0.326 30 20 DBED C#Cc1ccc(C(=O)N(C)C[C@H](O)CN2CCOCC2)cn1 751430431 DBXMCRDLRCZJHG-HNNXBMFYSA-N 303.362 -0.172 30 20 DBED C#CCNC(=O)COC(=O)[C@@H](C(C)C)N1CCCS1(=O)=O 773183756 XCJAKQHRWQCDDV-GFCCVEGCSA-N 316.379 -0.661 30 20 DBED C=CCS(=O)(=O)CCNC(=O)NCCOC[C@@H]1CCOC1 783003051 MXSHOBMPBPHREG-GFCCVEGCSA-N 320.411 -0.061 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCC[S@](C)=O 804996372 BDOYNDDLPLMWMQ-NLQQUQSOSA-N 302.396 -0.422 30 20 DBED CON=CC(=O)NCc1ccc([C@]2(C)NC(=O)NC2=O)cc1 809647134 KGSYSAXQZWYHLG-AWEZNQCLSA-N 304.306 -0.010 30 20 DBED C#CCCS(=O)(=O)NC(=O)CS(=O)(=O)N(CC)CC 810780503 FVSGKSSMZVNEIA-UHFFFAOYSA-N 310.397 -0.873 30 20 DBED N#C[C@H]1COCCN1S(=O)(=O)c1ccc(-c2nn[nH]n2)nc1 822806026 IFHJNZMOXWGBIW-QMMMGPOBSA-N 321.322 -0.825 30 20 DBED N#C[C@@H]1CNC[C@H]1NC(=O)c1cc(C(N)=O)n(-c2ccccc2)n1 834489855 QBLPILLEWWLDKF-ZWNOBZJWSA-N 324.344 -0.187 30 20 DBED C#CCOc1ccc(F)cc1NC(=O)C(=O)NC(C)(CO)CO 845964797 KULSXGLOPMILIC-UHFFFAOYSA-N 324.308 -0.364 30 20 DBED C#CC[C@@H](CCOC)NC(=O)c1ccnc(S(N)(=O)=O)c1 863783606 RXQXDSDPBNJPGQ-NSHDSACASA-N 311.363 -0.113 30 20 DBED CN(C)S(=O)(=O)CCS(=O)(=O)N1CCC[C@](C)(C#N)C1 882060542 QQHJQRHFONSRCI-LLVKDONJSA-N 323.440 -0.167 30 20 DBED C#CCNC(=O)c1ccccc1NC(=O)CN1CCNC(=O)C1 900401998 JCFWZNUYLDIFGK-UHFFFAOYSA-N 314.345 -0.580 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2c(Cl)n[nH]c2C)CC1 900560534 JZTRUIGZFRELAF-UHFFFAOYSA-N 323.784 -0.121 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)Cn3cncn3)C2)cn1 938883170 KNOPSNIEHNEEIT-AWEZNQCLSA-N 324.344 -0.315 30 20 DBED CO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1NC(=O)C1CCOCC1 940972986 WHMCIDRYUQNQMB-RAIGVLPGSA-N 309.366 -0.085 30 20 DBED Cc1nnsc1C(=O)NC[C@@H]1CN(C(=O)[C@@H](C)C#N)CCO1 944472020 XIUDDFZRTDSHIZ-WCBMZHEXSA-N 323.378 -0.037 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](NC(=O)c2nnn(C)n2)[C@H](OC)C1 945332147 WDMMGLZSSHWGDB-NXEZZACHSA-N 322.369 -0.622 30 20 DBED C#CCN1CC[C@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)C[C@H]1C 947895563 OMIYXKMMQBWUAC-NEPJUHHUSA-N 320.393 -0.081 30 20 DBED O=C(CN1CCOCC1)N[C@H]1CCCN(C(=O)C#CC2CC2)C1 950758560 KYOWUTNYZKGNHV-HNNXBMFYSA-N 319.405 -0.161 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](NC(=O)c2nccnc2N)[C@H](C)C1 958367943 GGSVCFZTJVSPQA-OPRDCNLKSA-N 302.338 -0.205 30 20 DBED C=CCN1C[C@H](O)[C@H](CNC(=O)c2ccc(C(=O)NC)nc2)C1 958597327 CSGIOMPZWFOAEM-OCCSQVGLSA-N 318.377 -0.350 30 20 DBED C#CCN1C[C@H](CNC(=O)c2ccc(N(C)C)cn2)[C@@H](O)C1 958734452 ZYDNRABJMHBQOK-WFASDCNBSA-N 302.378 -0.197 30 20 DBED CC#CCN1C[C@H]2C(NC(=O)c3ccc(-n4cnnn4)cn3)[C@@H]2C1 961353797 CLEKIDNEXUNQSU-CHWSQXEVSA-N 323.360 -0.259 30 20 DBED C=CCOc1cccnc1C(=O)NC1[C@@H]2CN(CC(N)=O)C[C@@H]12 962259164 GRYLSRBHMTXSBS-GHMZBOCLSA-N 316.361 -0.208 30 20 DBED C=CCn1cc(C(=O)N(C)C2CCC(NCC(N)=O)CC2)nn1 964017771 TWRHYSYRKBZQPG-UHFFFAOYSA-N 320.397 -0.078 30 20 DBED Cn1[nH]c(CN[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)nc1=O 968442112 PUPZKUFIHVPTCU-SNVBAGLBSA-N 315.337 -0.688 30 20 DBED CC1(C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2O)CCOCC1 968906244 OZHJBUCSSLNBHO-KGLIPLIRSA-N 320.389 -0.096 30 20 DBED CC#CCN1CC([C@H](C)NC(=O)[C@H]2CC(=O)N(CCOC)C2)C1 969787269 CJEVBWKBPBWKIA-KBPBESRZSA-N 321.421 -0.059 30 20 DBED N#Cc1cc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3COCCO3)C2)c[nH]1 973897353 LDJSZWQEEVFQAE-NTZNESFSSA-N 318.333 -0.321 30 20 DBED C#CCCN1C[C@@H](NC(=O)CN2CCOCC2=O)C(C)(C)C1 974701582 QHUJUSQVXMVDJO-CYBMUJFWSA-N 307.394 -0.305 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]2CCN(C(=O)Cn3cncn3)[C@H]2C1 975963777 NUCDYISKFCRCPZ-AVGNSLFASA-N 316.365 -0.113 30 20 DBED N#CCN1CCCC2(C1)CN(C(=O)[C@@H]1CC(=O)NC(=O)N1)C2 982042016 DUIQRQPBVDDXAX-JTQLQIEISA-N 305.338 -0.968 30 20 DBED O=C1CC[C@H](C(=O)NC[C@H]2CCN(C(=O)C#CC3CC3)C2)CN1 982740695 ZOZVHFYBCIRGRL-KGLIPLIRSA-N 317.389 -0.109 30 20 DBED COc1c[nH]c(C(=O)NC2CN(C(=O)C#CC3CC3)C2)cc1=O 995613494 QXGXKJOLTSCLAR-UHFFFAOYSA-N 315.329 -0.263 30 20 DBED CO[C@H]1C[C@H](C(=O)NC2CN(C(=O)[C@@H](C)C#N)C2)N(C(C)=O)C1 996552469 BLDPKFOQBRVUBB-TVYUQYBPSA-N 322.365 -0.891 30 20 DBED C#CCN1CC[C@@H](n2cc(CNC(=O)[C@H]3COCCO3)nn2)C1 999957673 WRYCXIBNVFZMCL-ZIAGYGMSSA-N 319.365 -0.810 30 20 DBED C#Cc1ccc(C(=O)N2CC(CNC(=O)c3cnn(C)n3)C2)cn1 1003233605 MMHSNMOPUIUEKL-UHFFFAOYSA-N 324.344 -0.307 30 20 DBED C[C@@H](C#N)C(=O)N1CC(CNC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 1004455926 QCPXVEVQOVBDIM-WCQGTBRESA-N 306.366 -0.378 30 20 DBED CN1C(=O)CN(CC(=O)N(C)C2CCN(CC#N)CC2)C1=O 1006284682 RKSAIFFQYAYUIK-UHFFFAOYSA-N 307.354 -0.673 30 20 DBED O=C1NCC[C@H]1C(=O)N1C[C@H]2CC[C@H]1CN2C(=O)C#CC1CC1 1007312193 GZPXMPRFCLUSGJ-HZSPNIEDSA-N 315.373 -0.262 30 20 DBED C=CCCN1CCC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 1007368929 MKBHYTVSGADPAU-NSHDSACASA-N 306.370 -0.466 30 20 DBED C=CCCn1cc(C(=O)NC2[C@@H]3CN(C(=O)COC)C[C@@H]23)nn1 1013160148 CXUSCYYLCUMJCD-GHMZBOCLSA-N 319.365 -0.313 30 20 DBED C#Cc1cncc(C(=O)N2C[C@H]3C(NC(=O)c4nc[nH]n4)[C@@H]3C2)c1 1013589001 PFPOGCOAJDRQBU-VXGBXAGGSA-N 322.328 -0.319 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2CCN(Cc3nnnn3C)C2)c1 1015678090 AZNWHNUUELTNLQ-CYBMUJFWSA-N 311.349 -0.409 30 20 DBED C#CCN1CCC2(CC1)C[C@@H]2NC(=O)[C@@H]1CCS(=O)(=O)N1 1016979060 MXJAPQPGPJMKNC-RYUDHWBXSA-N 311.407 -0.718 30 20 DBED C[C@H]1CCN(C(=O)C(N)=O)C[C@@H]1CNC(=O)c1cc(C#N)c[nH]1 1018620842 YSDRYQNIRBGXPM-ONGXEEELSA-N 317.349 -0.414 30 20 DBED C#Cc1ccc(C(=O)N2CC3(CCN(C(=O)C(N)=O)C3)C2)cc1 1019245564 ANNNHNAWCIELSK-UHFFFAOYSA-N 311.341 -0.172 30 20 DBED C=C(Cl)CN[C@H]1C[C@H](NC(=O)CN2CC(=O)N(C)C2=O)C1 1020919286 WDGRICFRYKUXCP-MGCOHNPYSA-N 314.773 -0.130 30 20 DBED N#CCN1CC[C@H]2[C@@H](CCCN2C(=O)CCn2cnnn2)C1 1021700149 OCNCYDITWSIUPI-STQMWFEESA-N 303.370 -0.100 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)Cn2ncn3nccc3c2=O)C1 1033472272 GBOCHUNGVLHGME-GFCCVEGCSA-N 316.365 -0.390 30 20 DBED C#CCN1CCO[C@H](CNC(=O)[C@@H]2CCc3n[nH]cc3C2)C1 1035575399 ZTLJQKSNLXKYGS-TZMCWYRMSA-N 302.378 -0.035 30 20 DBED C=C(C)CN[C@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C[C@@H]1C 1036040676 URDYAJGNJZOUIC-RYUDHWBXSA-N 320.397 -0.220 30 20 DBED C=C(C)CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)Cn1cnc(C(N)=O)n1 1037414978 FYVVKBVKMNVJIH-MDZLAQPJSA-N 318.381 -0.468 30 20 DBED COc1ccc(C#N)cc1CN1C[C@H]2C[C@H]1[C@H]2NC(=O)C(N)=O 1037563402 CTLSSWNXSJKRCO-DYEKYZERSA-N 314.345 -0.259 30 20 DBED C=CCN1CC[C@@H](N2CC[C@H]2CNC(=O)C2=COCCO2)C1=O 1038032000 KGQBNRLXRIIVHW-QWHCGFSZSA-N 321.377 -0.148 30 20 DBED C#CCCCC(=O)NC[C@]1(O)CCN(C(=O)c2cn[nH]c2)C1 1039574466 SXCUGMYBCXXSPN-OAHLLOKOSA-N 304.350 -0.094 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@]1(O)CCN(C(=O)c2cn[nH]c2)C1 1039576270 ONWLUPKRYRGDMB-HUUCEWRRSA-N 322.365 -0.570 30 20 DBED CCN(C)CCC(=O)N1CC[C@@](O)(CNC(=O)C#CC2CC2)C1 1039681256 XGMUBBKNVOMIBN-QGZVFWFLSA-N 321.421 -0.179 30 20 DBED Cc1cncn1CC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H](C)C#N)C1 1040316834 RCQQIXIVNAXNNJ-NHYWBVRUSA-N 319.365 -0.569 30 20 DBED C#CCN1CCC[C@@]2(CCN(C(=O)C3CC(=O)NC(=O)C3)C2)C1 1040445828 ICKSGEJSNASCSP-QGZVFWFLSA-N 317.389 -0.013 30 20 DBED CC#CCCCC(=O)NC[C@]1(O)CCN(C(=O)c2cnn[nH]2)C1 1040610992 WOLUCQCAUYKVFB-OAHLLOKOSA-N 319.365 -0.309 30 20 DBED N#Cc1cccnc1N1C[C@@H](O)[C@H](NC(=O)c2n[nH]cc2F)C1 1041327983 RPDKVWNLQLJFAQ-GHMZBOCLSA-N 316.296 -0.205 30 20 DBED N#Cc1ccc(NC[C@H]2CN(C(=O)C(N)=O)CCCO2)nc1 1041523677 GYEAFHTZEQZWDQ-NSHDSACASA-N 303.322 -0.532 30 20 DBED Cc1cc(C(=O)NCC2(O)CN(C(=O)C#CC3CC3)C2)n(C)n1 1041746584 IBADGSNHOPBZBV-UHFFFAOYSA-N 316.361 -0.555 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)c2ncoc2C)C1 1041814750 MRKYFHYQYHGSQF-UHFFFAOYSA-N 309.322 -0.511 30 20 DBED C#CCN1CC[C@H]2CCN(C(=O)Cn3ncn(C)c3=O)C[C@@H]21 1042122115 MBAMNYABIYJKGQ-STQMWFEESA-N 303.366 -0.862 30 20 DBED CN1CCN(CC(=O)N2CC[C@H]3CCN(CC#N)[C@H]3C2)CC1=O 1042124115 ZFGHKCKBEXDILV-KGLIPLIRSA-N 319.409 -0.793 30 20 DBED C=CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)c2cncnc2)C1 1042713319 STRVVKUHZLMJFZ-LLVKDONJSA-N 320.349 -0.629 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2[nH]cnc2C)C1 1043043190 DJCMKODLCJZMIU-NSHDSACASA-N 320.349 -0.940 30 20 DBED C=C(C)CCC(=O)N1CC(O)(CNC(=O)[C@@H]2CC(=O)N(C)C2)C1 1043406843 WRJHJZPIPHVGHO-GFCCVEGCSA-N 323.393 -0.490 30 20 DBED N#Cc1cnc(N2C[C@H](O)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)cn1 1043877944 QRNMPYSDZANNEP-OLZOCXBDSA-N 323.316 -0.472 30 20 DBED Cc1ccc(N2C[C@H](O)[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)nn1 1043888004 WJXVGQSJTGIZOK-OLZOCXBDSA-N 312.333 -0.036 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]2C)C1 1044513802 KUXXDSUPIZVCMH-MCIONIFRSA-N 319.405 -0.571 30 20 DBED C#CCN1CC[C@H](N2CCN(C(=O)c3nnn(C)c3C)CC2)C1 1046018083 UIQFIAFTJMWVLZ-AWEZNQCLSA-N 316.409 -0.411 30 20 DBED Cn1cnc(C(=O)N2CCN([C@H]3CCN(CC#N)C3)CC2)c1 1046019821 KTZAWUCFXPSPAF-ZDUSSCGKSA-N 302.382 -0.224 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCN(C(=O)CC)C2)C1 1047392535 MWCJHCAHVFVFHC-ILXRZTDVSA-N 321.421 -0.228 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)C(=O)N2CCC[C@H]2CC)C1 1047588693 PFEWGMAEGVIOPN-RDBSUJKOSA-N 307.394 -0.476 30 20 DBED C=C(C)CN1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]c(C(N)=O)c2)C1 1047628904 RHMICFMANWWCCK-STQMWFEESA-N 306.366 -0.193 30 20 DBED C#CCCCC(=O)N(C)[C@H]1CN(C(=O)[C@H]2CCCN2C)C[C@@H]1O 1048750643 ZOVPOEFTVABCMO-ILXRZTDVSA-N 321.421 -0.086 30 20 DBED C#CCO[C@H](C)C(=O)N(C)[C@H]1CN(C(=O)[C@H](C)OC)C[C@@H]1O 1048852610 QHSFSSFTCABDSZ-RNJOBUHISA-N 312.366 -0.910 30 20 DBED C=CCO[C@@H](C)C(=O)N(C)[C@H]1CN(C(=O)[C@H](C)OC)C[C@@H]1O 1049010663 FSBIZEQOWXRHKT-CYDGBPFRSA-N 314.382 -0.358 30 20 DBED C=C(C)CN1C[C@H]2CN(C(=O)CN3CC(=O)NC3=O)C[C@H]2C1 1049118211 QLLAPKHXXMPKBL-TXEJJXNPSA-N 306.366 -0.496 30 20 DBED CC#CCN1C[C@H]2CN(C(=O)C[C@H]3CC(=O)NC3=O)C[C@H]2C1 1049253934 FAIZYXZFJLJMBK-UPJWGTAASA-N 303.362 -0.547 30 20 DBED C#CCCN1CC[C@@H]2[C@H]1CCCN2C(=O)CN1CCOCC1=O 1049521195 GXGIROCBZNPKTL-HUUCEWRRSA-N 319.405 -0.066 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)c1cc(=O)n(C)cn1)C2 1050548890 DLDAQVKCOXSOCS-UHFFFAOYSA-N 300.362 -0.049 30 20 DBED N#Cc1cccc(CNC[C@H]2CN(C(=O)C(N)=O)CCO2)c1 1051796732 VAOVMSOSQVICKY-ZDUSSCGKSA-N 302.334 -0.639 30 20 DBED C#CCN1CC2(C1)CN(C(=O)CCN1C(=O)CCC1=O)CCO2 1053331895 BZNQCDYGOPOSHL-UHFFFAOYSA-N 319.361 -0.928 30 20 DBED N#CCN1CC2(C1)CN(C(=O)c1ccc(C(N)=O)nc1)CCO2 1053550127 LXTWIFFFFSQJDA-UHFFFAOYSA-N 315.333 -0.769 30 20 DBED Cn1ccc(C(=O)N[C@H]2COC3(C2)CN(CC#N)C3)cc1=O 1053849746 SPWJTTJIENVYNF-GFCCVEGCSA-N 302.334 -0.518 30 20 DBED N#CCN1CC[C@@]2(CCCN(C(=O)CN3CCNC(=O)C3)C2)C1 1054175597 RKNOEYSFPBWPRF-INIZCTEOSA-N 319.409 -0.744 30 20 DBED CC(C)C#CC(=O)N1C[C@H]2CN(C(=O)[C@@H]3COC(=O)N3)C[C@H]2C1 1055316568 IBVHKSBYRRYLLI-XQQFMLRXSA-N 319.361 -0.329 30 20 DBED Cc1nc(CC(=O)N2CCN(c3ccnc(C#N)n3)CC2)n[nH]1 1055799161 VDWYPHVDVGXILD-UHFFFAOYSA-N 312.337 -0.334 30 20 DBED C=CCCC(=O)N[C@@]1(CO)CCCN(C(=O)c2nc[nH]n2)C1 1055824169 PRBDJMSMYGBFIY-AWEZNQCLSA-N 307.354 -0.146 30 20 DBED N#Cc1ccc(N2CCN(C(=O)CCn3cnnn3)CC2)nn1 1055882781 JAAPYXACJFZIGM-UHFFFAOYSA-N 313.325 -0.926 30 20 DBED C#CCNC(=O)CC(=O)N[C@@]1(CO)CCCN(C(=O)C2CC2)C1 1055894304 AQDNEMBXKZCZAX-INIZCTEOSA-N 321.377 -0.994 30 20 DBED Cn1cnc(C(=O)NC2[C@@H]3CN(c4ccnc(C#N)n4)C[C@@H]23)n1 1056200794 GZRYDNGOZLRKNS-RKDXNWHRSA-N 310.321 -0.659 30 20 DBED Cc1cc(=N[C@@H]2CCN(C(=O)Cn3cnnn3)C2)c(C#N)c[nH]1 1056579741 QKTYZONMYUHVBL-GFCCVEGCSA-N 312.337 -0.617 30 20 DBED N#Cc1cnc(N[C@@H]2CCN(C(=O)c3c[nH]c(=O)cn3)C2)cn1 1056761924 MCLSMRWLQZDGQJ-SECBINFHSA-N 311.305 -0.242 30 20 DBED CN(c1ccc(C#N)nc1)[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 1057017669 IPGXZPHWEBYQSP-OLZOCXBDSA-N 314.349 -0.328 30 20 DBED CN(c1ccnc(C#N)n1)[C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 1057033572 XREGXRQSHICKOR-MXWKQRLJSA-N 314.349 -0.493 30 20 DBED Cc1cc(CC(=O)N(CCO)CCNC(=O)[C@H](C)C#N)no1 1057230313 CKCKRQSYMUWRQB-SNVBAGLBSA-N 308.338 -0.378 30 20 DBED C#CCCCCC(=O)N(CCO)CCNC(=O)c1ncn(C)n1 1057388638 VLDLIVUUBJNOKV-UHFFFAOYSA-N 321.381 -0.441 30 20 DBED C#CCNC(=O)CC(=O)N(CCO)CCNC(=O)[C@@H]1CC1(C)C 1057391039 ZQPZLHLFEUXIJU-LBPRGKRZSA-N 323.393 -0.891 30 20 DBED C=C(C)CCC(=O)NCCN(CCO)C(=O)CC(=O)NCC 1057395898 SUYCBOHGOJEHMX-UHFFFAOYSA-N 313.398 -0.194 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)CSCC#N 1057517551 VPTHVMDOFSDMFA-UHFFFAOYSA-N 311.407 -0.160 30 20 DBED CC(C)N1CCC[C@@H]1C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N 1057587324 CWAVNCQUFZVCNL-UONOGXRCSA-N 324.425 -0.044 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)[C@@H]1CCN(C)[C@@H]1C 1058661361 UQOJMSHMYDVYIJ-YNEHKIRRSA-N 310.398 -0.577 30 20 DBED N#Cc1nccnc1N[C@H]1C[C@@H](NC(=O)Cn2cnnc2O)C1 1059595032 LLLZWGSLXPXATE-DTORHVGOSA-N 314.309 -0.595 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](CCNC(=O)c2c[nH]c(=O)cn2)C1 1060286075 ITFFPJVEFKIKRH-QWRGUYRKSA-N 317.349 -0.102 30 20 DBED C=CCCC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1CCC(=O)NC1 1061402478 UHASMKYDHDJTMU-OLZOCXBDSA-N 323.393 -0.178 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCOC[C@H]1CNC(=O)c1ncc[nH]1 1061557786 CLNFGRKYYOAXQA-IAQYHMDHSA-N 322.365 -0.306 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)C(=O)NCC1CC1 1061848785 VHYCCPRFNRSXSW-CMPLNLGQSA-N 322.365 -0.984 30 20 DBED Cc1cc(C#N)nc(N(C)C[C@H]2CCN(C(=O)C(N)=O)C2)n1 1062164958 FTHPIHGDXOERMJ-SNVBAGLBSA-N 302.338 -0.573 30 20 DBED N#Cc1c[nH]c(C(=O)NC2(CNC(=O)CC(N)=O)CCC2)c1 1062733109 PVDFCUAAOHFCQS-UHFFFAOYSA-N 303.322 -0.470 30 20 DBED N#Cc1cnc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)Cn2cncn2)cn1 1064256818 HPBYNXPHBOMPTP-OLUVUFQESA-N 310.321 -0.667 30 20 DBED N#CCSCC(=O)NC1(CNC(=O)[C@H]2C[C@H]2C(N)=O)CCC1 1064559444 GHHIDOCGBRTPHQ-ZJUUUORDSA-N 324.406 -0.480 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCO[C@H](CNC(=O)c2ccon2)C1 1065096327 DBAACRJNSPNIBS-ABAIWWIYSA-N 323.349 -0.041 30 20 DBED CC(C)C#CC(=O)N1CCO[C@H](CNC(=O)Cn2ccnc2)C1 1065126790 SYBDCOBSACGSCK-CQSZACIVSA-N 318.377 -0.114 30 20 DBED CC(C)C#CC(=O)N[C@H]1CCCN(C(=O)c2nnn(C)n2)CC1 1066138057 WUDNLEITXDFGMC-LBPRGKRZSA-N 318.381 -0.020 30 20 DBED Cc1cc(=NC[C@H]2C[C@H](C)N(C(=O)C(N)=O)C2)c(C#N)c[nH]1 1068369782 ZQOGUTZJCKUVTA-WDEREUQCSA-N 301.350 -0.182 30 20 DBED C=CCCC(=O)N[C@@H]1COC2(C1)CN(C(=O)c1nnn(C)n1)C2 1068751569 QSORLOWOGYISOC-JTQLQIEISA-N 320.353 -0.724 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC[C@@]2(CCCN(C(=O)C(N)=O)C2)C1 1069776990 WIIDVAWLMXFDQB-HOTGVXAUSA-N 323.393 -0.360 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H](C)n2cncn2)C1 1069912046 KWZSKQOJNCPQGZ-UPJWGTAASA-N 316.369 -0.342 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@@H](NC(=O)[C@@H](CC)OC)C1 1070636443 XKODNZYGLGZANJ-CHWSQXEVSA-N 323.393 -0.342 30 20 DBED CC#CCN1CCNC(=O)CCN(C(=O)[C@H]2CCN(C)C2)CC1 1071020533 ICGGJCXKFNRIDP-HNNXBMFYSA-N 320.437 -0.388 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H](N2CCN(CC#N)CC2=O)C1 1071258814 RGECMMUOSOOYQK-STQMWFEESA-N 303.366 -0.195 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(C(=O)C(C)(F)F)C[C@H]1C 1071464471 CYKXCXBWCLMTEL-NXEZZACHSA-N 315.320 -0.256 30 20 DBED C#CCCCCC(=O)N1C[C@H](C)[C@H](NC(=O)c2nnn(C)n2)C1 1071930281 ZIGAQSKPBJSPCQ-NWDGAFQWSA-N 318.381 -0.020 30 20 DBED C#CCNC(=O)CC(=O)NC1(C)CCN(C(=O)COC)CC1 1072823403 VDOASESIKIOBGD-UHFFFAOYSA-N 309.366 -0.730 30 20 DBED C=CCCn1cc(C(=O)N2CC[C@H]3CN(CCO)C[C@H]32)nn1 1076344835 BFAJRNKSALAXCP-GXTWGEPZSA-N 305.382 -0.007 30 20 DBED CCN(C(=O)CNC(N)=O)C1CN(C(=O)c2cc(C#N)c[nH]2)C1 1079279354 FQGZGMLFYMEVGB-UHFFFAOYSA-N 318.337 -0.772 30 20 DBED C#CCCCC(=O)N1C[C@H](CNC(=O)c2cc[nH]n2)[C@@H](O)C1 1081285909 FLNHHXQEJQXPCJ-AAEUAGOBSA-N 304.350 -0.238 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)Cc2ccn(C)n2)C[C@@H]1O 1081336237 VVZNAMWAHANKSO-OCCSQVGLSA-N 320.393 -0.136 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2ccccn2)C[C@@H]1O 1081344469 QICISKAZTSJTRZ-JSGCOSHPSA-N 319.361 -0.167 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)Cc2cnc[nH]2)C[C@@H]1O 1081347670 YVQYKJQBZUPPKJ-AAEUAGOBSA-N 322.365 -0.910 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)CCN(C)C)C[C@H]1O 1081466366 SFGSTJYUSRTZMS-ZIAGYGMSSA-N 309.410 -0.467 30 20 DBED C=CCOCC(=O)N1C[C@H](CNC(=O)c2cccnn2)[C@@H](O)C1 1081688931 YCVLXDAHDOUBKH-AAEUAGOBSA-N 320.349 -0.772 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CO[C@H]1CCOC1 1083080118 GQJYKAKAWFAUAE-SOUVJXGZSA-N 308.378 -0.273 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cnn2cc[nH]c12 1083258984 GMZSFQHSTSVLAF-NWDGAFQWSA-N 300.322 -0.289 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)c2cn(C(C)(C)C)nn2)C1 1083511954 RVJUHLDKDORBDD-YPMHNXCESA-N 305.382 -0.169 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)c2c(C)nn(C)c2OC)C1 1083827318 LVJIXWMOYSTVDI-NEPJUHHUSA-N 306.366 -0.465 30 20 DBED C#CCN[C@H]1C[C@H](CNC(=O)c2cn([C@H]3CCOC3)nn2)C1 1086529255 KUHCGZONFYUSHD-AVGNSLFASA-N 303.366 -0.029 30 20 DBED C=C(Cl)CN1CC[C@H](NC(=O)Cn2ncn(C)c2=O)[C@H]1C 1088682030 FUNLBHKNZJIQQL-MNOVXSKESA-N 313.789 -0.087 30 20 DBED C[C@H](C[C@@H](C)NC(=O)CNC(N)=O)N=c1cc[nH]c(C#N)n1 1089216061 UCUWBEWNUPKFHQ-RKDXNWHRSA-N 305.342 -0.866 30 20 DBED CNC(=O)CC(=O)N1CC[C@H]2CN(c3cncc(C#N)n3)C[C@H]21 1090308948 APRBBUCJDAJKOK-CMPLNLGQSA-N 314.349 -0.479 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2nc(C)c(C)[nH]c2=O)[C@@H](O)C1 1090358112 JJIWJZLCQUWHPY-OLZOCXBDSA-N 318.377 -0.425 30 20 DBED CC(=O)N1CCC(C(=O)N[C@@H]2CCN(CC#N)C[C@H]2O)CC1 1090796913 RWLCNAFEUVREAF-ZIAGYGMSSA-N 308.382 -0.680 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(c2nc(CC)ns2)C[C@@H]1O 1091081889 QFWFQYLCILFAQM-ZJUUUORDSA-N 312.395 -0.031 30 20 DBED Cc1cc(N(C)CCOCCN(C)C(=O)C(N)=O)c(C#N)cn1 1091901486 ZMHCDIBCJPYTOS-UHFFFAOYSA-N 319.365 -0.342 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCN(c2nccnc2F)C[C@@H]1O 1092163768 GWRVCOGYHFLUAF-NEPJUHHUSA-N 322.340 -0.289 30 20 DBED CS(=O)(=O)CCC(=O)N1CCN(c2cnc(C#N)cn2)CC1 1093204645 DMZRSIJBRKEJPZ-UHFFFAOYSA-N 323.378 -0.568 30 20 DBED N#Cc1cnccc1N1C[C@H]2C(NC(=O)CCNC(N)=O)[C@@H]2C1 1093267823 MIPURDHKBUJZLD-GHMZBOCLSA-N 314.349 -0.438 30 20 DBED Cn1ncc(C(=O)N2CCC(OC3CN(CC#N)C3)CC2)c1N 1093529704 FFWREMWNOUYXJQ-UHFFFAOYSA-N 318.381 -0.169 30 20 DBED Cc1cc(C#N)nc(NCCCNC(=O)Cn2cncn2)n1 1094428721 XXLPPRFHXJAXOI-UHFFFAOYSA-N 300.326 -0.133 30 20 DBED C[C@H](CC(N)=O)C(=O)NC1CCN(c2cnc(C#N)cn2)CC1 1095438392 MTGLITNUXWPRKA-SNVBAGLBSA-N 316.365 -0.055 30 20 DBED CC(C)(C(N)=O)C(=O)N[C@H]1CCN(c2ccnc(C#N)n2)C1 1096444549 KQRMGAXNIONPRE-VIFPVBQESA-N 302.338 -0.445 30 20 DBED C[C@H](CNC(=O)CNC(=O)C(C)(C)C)N=c1cc[nH]c(C#N)n1 1097855167 HXWOBIFBCFFHQA-SNVBAGLBSA-N 318.381 -0.151 30 20 DBED C[C@@H](CNC(=O)C[C@@H](C)NC(N)=O)Nc1ccc(C#N)nn1 1098075892 ILQXEXGPOZTRPV-BDAKNGLRSA-N 305.342 -0.288 30 20 DBED Cc1cc(C#N)nc(N[C@@H](C)CNC(=O)Cn2nccn2)n1 1098078017 PEGQUZLOQCSFBR-JTQLQIEISA-N 300.326 -0.135 30 20 DBED C[C@H](CNC(=O)C[C@@H]1CCNC1=O)Nc1nccnc1C#N 1098098181 VHWHUWBNQUGUTP-ZJUUUORDSA-N 302.338 -0.209 30 20 DBED COCCOCC(=O)N1CC[C@H](n2cc(CNCC#N)nn2)C1 1098634753 WKYDKRLISMZZSR-ZDUSSCGKSA-N 322.369 -0.672 30 20 DBED C#CCC1(C(=O)N[C@H]2CCN(CCOCCO)C[C@H]2O)CCC1 1099875003 UGUMHWIDGNRHEM-LSDHHAIUSA-N 324.421 -0.260 30 20 DBED CC#CCN1CC[C@@H](NC(=O)COCc2ccnn2C)[C@H](O)C1 1099890142 NIZBEHPTOLBCDR-HUUCEWRRSA-N 320.393 -0.489 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)CC2(C)CC2)[C@@H](O)C1 1099929120 TUZCBZMMMXXPSD-STQMWFEESA-N 307.394 -0.523 30 20 DBED C=CCCCC(=O)N[C@@H]1CCN(CC(=O)NCC#N)C[C@@H]1O 1099976646 PORUZGBBOGFTCC-OLZOCXBDSA-N 308.382 -0.466 30 20 DBED C=CCCN1CC[C@@H](NC(=O)CCc2cnn(C)n2)[C@H](O)C1 1100008832 OVHBNWRSFWKVMD-ZIAGYGMSSA-N 307.398 -0.125 30 20 DBED C=C(Cl)CN1CC[C@H](NC(=O)CC(=O)N(C)C)[C@H](O)C1 1100027128 MJLNKJQDPOLIDX-WDEREUQCSA-N 303.790 -0.231 30 20 DBED C#CCCN1CC[C@H](NC(=O)C(C)(C)CNC(C)=O)[C@H](O)C1 1100031502 GEKYQHNCWSMEKV-UONOGXRCSA-N 309.410 -0.277 30 20 DBED O=C(CC#Cc1ccccc1)N[C@@H]1CCN(CCO)C[C@H]1O 1100122854 XMFVFVIERLNWBC-HZPDHXFCSA-N 302.374 -0.028 30 20 DBED COCC#CCNC1CC(CNC(=O)[C@@H]2COCCN2C)C1 1100253823 UNRUTHMPGWIBIE-NRXISQOPSA-N 309.410 -0.549 30 20 DBED CN1C[C@H](C(=O)NCCN(C)c2ccc(C#N)nc2)CC1=O 1100383761 MQHILMMYXGZBRR-LLVKDONJSA-N 301.350 -0.016 30 20 DBED CN(CCNC(=O)[C@@H]1CCC(=O)NC1)c1ccnc(C#N)n1 1100404365 XLPDTGZAYTUERC-SNVBAGLBSA-N 302.338 -0.573 30 20 DBED N#CCNC(=O)CNC1CC(CNC(=O)c2nccs2)C1 1100779103 ZNZIAPBJQQNLBW-UHFFFAOYSA-N 307.379 -0.119 30 20 DBED CS(=O)(=O)CC(=O)NC[C@@H]1CCN(c2ccncc2C#N)C1 1100962034 TZRCAEGYPFNMKV-NSHDSACASA-N 322.390 -0.060 30 20 DBED COCC#CCN1C[C@@H]2CN(C(=O)[C@H](C)CC(N)=O)C[C@]2(C)C1 1101324342 VYGOZOHSGMXHOG-CPUCHLNUSA-N 321.421 -0.072 30 20 DBED C#CCCN1C[C@@H](C)[C@H](CNC(=O)CCNC(=O)COC)C1 1102019367 GQQYMATVYSGNGJ-ZIAGYGMSSA-N 309.410 -0.154 30 20 DBED N#Cc1cccnc1N1[C@H]2CC[C@H]1CN(C(=O)CNC(N)=O)C2 1102183852 GOZVVBMEULVWFI-RYUDHWBXSA-N 314.349 -0.199 30 20 DBED CN(C[C@H]1CCN(C(=O)CNC(N)=O)C1)c1cncc(C#N)n1 1102427724 GMHJVDNVUJWYJE-SNVBAGLBSA-N 317.353 -0.699 30 20 DBED C#CCCNCC[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)C[C@H]1C 1104987636 YQJCMOQIIFDESG-CHWSQXEVSA-N 320.393 -0.364 30 20 DBED C=CCNCc1cn(C2CN(C(=O)CNC(=O)CCC)C2)nn1 1105178854 VKOVPLCZYFHLNW-UHFFFAOYSA-N 320.397 -0.147 30 20 DBED C#CCNCc1cn(C2CN(C(=O)c3cnc(O)n3C)C2)nn1 1105297453 NRVUQYCDGLNHSS-UHFFFAOYSA-N 315.337 -0.863 30 20 DBED CN(CCN(C)c1ccc(C#N)cn1)C(=O)Cn1cnnn1 1105344485 GXTJHQHDFWDQHO-UHFFFAOYSA-N 300.326 -0.465 30 20 DBED C[C@@H](C(=O)NC[C@@H](O)CNc1nccnc1C#N)n1cccn1 1105766795 FOSAKUHAIMGGHD-QWRGUYRKSA-N 315.337 -0.305 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)[C@H]2CCCCO2)nn1 1105819641 HSAMXGXUBIOQKM-VXGBXAGGSA-N 305.338 -0.194 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)C[C@@H](C)OC)C[C@H]1C 1105919027 BGRWAKYIKFDVFL-MGPQQGTHSA-N 309.410 -0.155 30 20 DBED N#Cc1nccnc1NC[C@@H](O)CNC(=O)CCc1ccon1 1106020211 YJXLELFYZYWUPD-NSHDSACASA-N 316.321 -0.142 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](O)CNC(=O)[C@@]23COC[C@@H]2C3)n1 1106145125 ICWIAUBCANVDCM-WBIUFABUSA-N 317.349 -0.418 30 20 DBED C[C@H](CCNc1cnc(C#N)cn1)NC(=O)[C@H]1CN(C)CCO1 1106293483 HVVZAIGZHRQECO-DGCLKSJQSA-N 318.381 -0.014 30 20 DBED CCN(CCN=c1cc[nH]cc1C#N)C(=O)[C@@H]1CCC(=O)N1 1106808818 SXPWYFUIUUXYJE-ZDUSSCGKSA-N 301.350 -0.086 30 20 DBED CN1CCO[C@@H](C(=O)NC/C=C\CN=c2cc[nH]cc2C#N)C1 1107094213 XCDSNDRRXHUYQQ-MPNWYJEXSA-N 315.377 -0.210 30 20 DBED CCS(=O)(=O)CC(=O)N[C@H](C)CNc1cnc(C#N)cn1 1107792345 VXPSNCOUTZFRLM-SECBINFHSA-N 311.367 -0.300 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)C[C@@H]2CCCC(=O)N2)C1 1108062559 DIYUYLAXIJEODM-XJKSGUPXSA-N 307.394 -0.115 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)CCCC(=O)NC)CC2=O)C1 1108538162 COQJFWPHHKYDEF-GFCCVEGCSA-N 322.409 -0.510 30 20 DBED C[C@@H](CNc1cnc(C#N)cn1)NC(=O)[C@@H]1CCC(=O)N1C 1108641828 GZMILVKHURMEHQ-ONGXEEELSA-N 302.338 -0.114 30 20 DBED CCc1nc(C#N)cc(NC[C@H](C)NC(=O)[C@H]2CNC(=O)N2)n1 1108669381 UONMHNJQPKJIEE-WCBMZHEXSA-N 317.353 -0.491 30 20 DBED CC(C)C#CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1nc(=O)n(C)[nH]1 1109246107 OYMMCPPEOHAPKT-AGIUHOORSA-N 317.393 -0.011 30 20 DBED COCCOCC(=O)N(C)CCCN=c1cc[nH]c(C#N)n1 1109393328 BGNCONWDMRJGFM-UHFFFAOYSA-N 307.354 -0.306 30 20 DBED C[C@@H]1C[C@H](Nc2cnc(C#N)cn2)CCN1C(=O)CNC(N)=O 1110507365 KODGWEHYYTZRGH-NXEZZACHSA-N 317.353 -0.192 30 20 DBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1ccnnc1 1111060032 FTNXBOSCACPGEH-UPJWGTAASA-N 314.349 -0.549 30 20 DBED C=CCOCC(=O)N(CCO)CCN=c1cc[nH]c(C#N)n1 1111445299 WDFYWGYVEUAKMS-UHFFFAOYSA-N 305.338 -0.794 30 20 DBED N#Cc1nc(=NCCN(CCO)C(=O)c2cccnn2)cc[nH]1 1111501122 KWOOQZMLXMGDGX-UHFFFAOYSA-N 313.321 -0.893 30 20 DBED C[C@H]1C[C@@H](C(=O)N(CCO)CCN=c2cc[nH]c(C#N)n2)CO1 1111522206 LTUIXYGLJPWDNH-NWDGAFQWSA-N 319.365 -0.572 30 20 DBED N#Cc1nccnc1NCCN(CCO)C(=O)c1cnn[nH]1 1111585949 XHQYVGPQFIMOSN-UHFFFAOYSA-N 302.298 -0.987 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)CCC(=O)NCC)CC1 1112698877 JMIVGINZXIZPLC-ZDUSSCGKSA-N 324.425 -0.262 30 20 DBED CCCOCC(=O)NC[C@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1112709503 KOURHUZLYQFEBB-AAEUAGOBSA-N 319.365 -0.312 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)[C@H]2CCCCN2C)CC1 1113018786 AAWAXRIOUSGMFJ-HUUCEWRRSA-N 320.437 -0.247 30 20 DBED C[C@H](N=c1cc[nH]c(C#N)n1)[C@H](C)NC(=O)C(=O)NCC1CC1 1113132699 JPQKPGGGTDMHKH-UWVGGRQHSA-N 316.365 -0.399 30 20 DBED CCc1nc(C#N)cc(N(C)[C@@H](C)CNC(=O)CC(=O)NC)n1 1113572328 SPCCUSHZUJDBDY-JTQLQIEISA-N 318.381 -0.012 30 20 DBED CC(=O)N1CC(C(=O)NC[C@H](C)N(C)c2cnc(C#N)cn2)C1 1113579198 IBTGEEKNZXSILX-JTQLQIEISA-N 316.365 -0.233 30 20 DBED C[C@@H](CNC(=O)CCCC(N)=O)N(C)c1ccc(C#N)nn1 1113645261 WZEQMBXNWJOZTD-JTQLQIEISA-N 304.354 -0.055 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3cncnc3C)[C@H]2C1 1113942007 GBXZGJSMITZOGY-NHAGDIPZSA-N 315.377 -0.253 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CN(c2ccc(C#N)nn2)CC[C@H]1C 1113994616 PTQLMWICVRGREL-ZWNOBZJWSA-N 316.365 -0.185 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3ccn(C)c3)[C@H]2C1 1114137106 RYBKTWYJZXMLMQ-STQMWFEESA-N 300.362 -0.566 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1[C@@H]2CN(CCCOC(C)C)C[C@@H]21 1114170696 VMDGEVJHFMXXBT-HALDLXJZSA-N 321.421 -0.013 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H]1[C@@H]2CN(Cc3cn(CC)nn3)C[C@@H]21 1114273540 OFSBLSFJBDPTOX-SPWCGHHHSA-N 317.393 -0.117 30 20 DBED N#CCN1C[C@H]2C(NC(=O)CCNC(=O)c3ccncc3)[C@@H]2C1 1114365806 FOBIGMRHOZGHRR-CHWSQXEVSA-N 313.361 -0.229 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)CCc3cnn[nH]3)[C@H]2C1 1114858737 HKTWVCNPFAFSMW-RYUDHWBXSA-N 318.381 -0.914 30 20 DBED COCCCNC(=O)CCC(=O)N[C@H]1[C@@H]2CN(CC#N)C[C@@H]21 1115102993 BWQNJVMBMJLSLH-JYAVWHMHSA-N 308.382 -0.511 30 20 DBED CC#CCN1C[C@H]2C(NC(=O)C(=O)Nc3cc(C)on3)[C@@H]2C1 1115234375 ZGLNVIHCOOLHJT-GHMZBOCLSA-N 302.334 -0.009 30 20 DBED N#Cc1cccnc1NCCNC(=O)C(=O)NC[C@@H]1CCOC1 1117038710 RBTTZFJKPDSMPE-NSHDSACASA-N 317.349 -0.366 30 20 DBED C#CCCCCNC(=O)C(=O)N1CCN([C@H]2CCOC2)CC1 1118685233 HQCHICUABRCKTC-AWEZNQCLSA-N 307.394 -0.161 30 20 DBED C=CCSCCn1nnnc1N1CC(=O)N(CCOC)C1 1120105695 QZHZBDVZZWAEQV-UHFFFAOYSA-N 312.399 -0.155 30 20 DBED N#Cc1cccnc1N[C@H](CO)CNC(=O)C1=COCCO1 1121003691 MHMVSSFUVLFFNV-NSHDSACASA-N 304.306 -0.270 30 20 DBED N#Cc1c[nH]ccc1=N[C@H](CO)CNC(=O)c1cnsn1 1121091897 GLNFFINMOHFWAD-VIFPVBQESA-N 304.335 -0.571 30 20 DBED N#Cc1cncc(N[C@@H](CO)CNC(=O)c2ccc(O)nn2)n1 1121177902 PUDVUEKMIJPGIO-SECBINFHSA-N 315.293 -0.953 30 20 DBED Cc1cc(C(=O)NC[C@H](CO)Nc2ccc(C#N)nn2)cnn1 1121359173 FSDSPOFXJMXOKF-GFCCVEGCSA-N 313.321 -0.351 30 20 DBED CNC(=O)CCCC(=O)NC[C@@H](CO)Nc1ccc(C#N)nc1 1121464687 NGPCGZKNMKZBON-ZDUSSCGKSA-N 319.365 -0.241 30 20 DBED Cc1ccnc(C(=O)NC[C@H](CO)N=c2cc[nH]cc2C#N)n1 1121506642 WRBAFUPGAGCSAP-GFCCVEGCSA-N 312.333 -0.324 30 20 DBED C=CCn1c(CCO)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1121620322 MBEXBTPMGOSUJJ-MNOVXSKESA-N 307.354 -0.066 30 20 DBED Cc1ccc(C#N)c(N[C@@H](CO)CNC(=O)c2cnon2)n1 1121882076 NYUWTQJUHIHVCL-SNVBAGLBSA-N 302.294 -0.153 30 20 DBED CN(C)[C@H](C(=O)NC[C@H](CO)N=c1cc[nH]cc1C#N)C1CC1 1122154571 ZBACLCLSAFHJQA-HIFRSBDPSA-N 317.393 -0.396 30 20 DBED CNC(=O)CC(=O)N1C[C@@H](Nc2cnc(C#N)cn2)C[C@H]1C 1123203804 RHGGZPUTQSTHHR-ZJUUUORDSA-N 302.338 -0.114 30 20 DBED CN(C[C@@H](O)CNc1ccc(C#N)cn1)C(=O)c1cnon1 1124466728 YQIMCGGSOSXIHG-JTQLQIEISA-N 302.294 -0.119 30 20 DBED CN(C[C@H](O)CNc1ncccc1C#N)C(=O)Cc1nc[nH]n1 1124498247 DKLJWLAOKPILLI-LLVKDONJSA-N 315.337 -0.455 30 20 DBED C[C@@H](C#N)C(=O)NCCNCc1nc(-c2ccncn2)no1 1124897142 RYDDMZIVJIPIBK-VIFPVBQESA-N 301.310 -0.108 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)CCc1ncc[nH]1 1126436656 GHNKDQZZOLADKH-UHFFFAOYSA-N 322.369 -0.940 30 20 DBED C#CCOCCC(=O)NCc1cnn2c1CN(CC#C)CC2 1128356021 PGMLYWIQESUYRK-UHFFFAOYSA-N 300.362 -0.012 30 20 DBED C=CCn1cccc1C(=O)NCCN[C@H](C)C(=O)NC(N)=O 1129517094 CXZLKAXTSQAIIF-SNVBAGLBSA-N 307.354 -0.423 30 20 DBED C=CCNC(=O)CNCCNC(=O)COCc1ccnc(O)c1 1130214224 HXGFTNLHENNDPC-UHFFFAOYSA-N 322.365 -0.688 30 20 DBED C#CCCN1CC[C@H](c2n[nH]cc2CNC(=O)CC(=O)NC)C1 1130381529 ZXJFKKLCGHDBRR-LBPRGKRZSA-N 317.393 -0.025 30 20 DBED C#CCN1CCOC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](C)OC)n1 1130835428 MOYSIHOQMKOQPK-GHMZBOCLSA-N 307.354 -0.538 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1coc(C(F)(F)F)n1 1130850586 CTJQOUGBBJVXNE-UHFFFAOYSA-N 318.255 -0.238 30 20 DBED CC#CCN1C[C@@H](NC(=O)CN(C)S(C)(=O)=O)CC[C@H]1C 1132076678 CFBWNSXDKKBCBK-OLZOCXBDSA-N 315.439 -0.130 30 20 DBED C[C@@H]1CC[C@@H](NC(=O)CCS(=O)(=O)N(C)C)CN1CC#N 1132505342 RCWLRVSFCAUTHT-VXGBXAGGSA-N 316.427 -0.239 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CCC(=O)N1C(C)C 1132808152 LTUQVQYMTAOODL-STQMWFEESA-N 324.425 -0.218 30 20 DBED C#CCNC[C@H]1CN(C(=O)c2nccnc2C(N)=O)CC[C@@H]1C 1133297299 IVDXCPJHMWDBHL-RYUDHWBXSA-N 315.377 -0.104 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)CN1CCCC1=O 1133636033 BGWPFPJQYRJBMZ-CHWSQXEVSA-N 322.409 -0.769 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)c1n[nH]cc1C 1134303249 QAKIPFHDXGYMID-RYUDHWBXSA-N 305.382 -0.046 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)NCCN[C@@H](C)C(=O)N(C)C 1134817482 YCAFJDPYHHFKJM-WCQYABFASA-N 312.414 -0.360 30 20 DBED COCC1(C(=O)N[C@@H](C)C[C@@H](C)NCC(=O)NCC#N)CC1 1134974446 JTLAOFJREFEROP-NEPJUHHUSA-N 310.398 -0.074 30 20 DBED C#CCN[C@@H](C)C[C@@H](C)NC(=O)Cn1ncn2nccc2c1=O 1135614518 VHRXFANSTNUSGU-NWDGAFQWSA-N 316.365 -0.603 30 20 DBED COCC#CCNCCNC(=O)CC(=O)NCC(F)(F)F 1136014262 ILJIZVUHWKEMDY-UHFFFAOYSA-N 309.288 -0.589 30 20 DBED CNC(=O)C1(C(=O)NC[C@@H]2CN(CC#N)CCCO2)CCC1 1150626902 ZTLHLABOXAMYDS-GFCCVEGCSA-N 308.382 -0.367 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1cccc(C(=O)NC)c1 1151621077 JFFHSDSKJYFNAU-UHFFFAOYSA-N 318.377 -0.332 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1cnc(COC)s1 1153765960 JKLUJCUKBCHBSF-UHFFFAOYSA-N 312.395 -0.089 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)Cc1cccnc1 1156609460 VLPXBLSLRRDNBJ-CYBMUJFWSA-N 302.378 -0.142 30 20 DBED C#CCO[C@@H](C)C(=O)NCCCNCC(=O)NCCOCC 1157869341 JTZVMCLOGTYEPX-ZDUSSCGKSA-N 313.398 -0.727 30 20 DBED C=CCNC(=O)CNCCCNC(=O)Cc1ccn(CC)n1 1158437350 VSSBCIURBLROQX-UHFFFAOYSA-N 307.398 -0.156 30 20 DBED C#CCNC(=O)CNCCCNC(=O)CCc1ccncn1 1159053476 FNQPXINDBGESKN-UHFFFAOYSA-N 303.366 -0.746 30 20 DBED CC(C)Cn1ccc(C(=O)NCCCNCC(=O)NCC#N)n1 1159059122 LTAOGJWCWCMKAR-UHFFFAOYSA-N 320.397 -0.112 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H](C)n2cccn2)C1 1181096720 BMFCWLXNMNUUQC-CHWSQXEVSA-N 303.366 -0.616 30 20 DBED CCS(=O)(=O)NCCCN[C@@H]1CCN(C(=O)[C@@H](C)C#N)C1 1181651680 DZSDLAHWHOLDMU-NWDGAFQWSA-N 316.427 -0.334 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H]2CCN(C(=O)c3cn[nH]c3)[C@@H]2C1 1186958605 LPMCDLDVOIJKIB-SGMGOOAPSA-N 315.377 -0.306 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2cnn(CC)n2)C1 1189973748 QUXFMUOODMLKPO-GFCCVEGCSA-N 318.381 -0.806 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@H](N(C)CCS(C)(=O)=O)C1 1190094533 LLNZCZFIGKUTLK-OLZOCXBDSA-N 316.423 -0.398 30 20 DBED COCC(=O)N[C@H](C(=O)N1CC[C@H](N(C)CC#N)C1)C(C)C 1192724052 QVUYMMNZCRRZBZ-JSGCOSHPSA-N 310.398 -0.170 30 20 DBED C#CCO[C@H](C)C(=O)N1CCCN(CCn2cncn2)CC1 1195807487 VHGCIEBKHONRJX-CQSZACIVSA-N 305.382 -0.149 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)CCCc2nc(C)no2)C1 1198639175 VJQYOZDFYGDCDX-CHWSQXEVSA-N 306.366 -0.115 30 20 DBED C=CCC[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)CS(=O)(=O)NC)C1 1198722060 HLTALWVHFOTEEG-IJLUTSLNSA-N 319.427 -0.948 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)CS(C)(=O)=O)C1 1199146303 SAZOQTVQPSRXKJ-JMJZKYOTSA-N 324.830 -0.419 30 20 DBED Cc1cc(C(=O)N2CCC(NCC(=O)NCC#N)CC2)no1 1199218834 SAGDTHRSBBHSTH-UHFFFAOYSA-N 305.338 -0.183 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)CCOCCOC)C1 1199330864 ISTZVQWHTDBDME-ZIAGYGMSSA-N 316.398 -0.597 30 20 DBED C=CCOCC(=O)N1CCC(NCC(=O)NC(=O)NC)CC1 1199788432 PZEOWJPHTDJHBQ-UHFFFAOYSA-N 312.370 -0.775 30 20 DBED CC#CCNC[C@H]1CN(C(=O)[C@H]2CCC(=O)N2C)CCCO1 1201239526 IYLXRISQADJSGZ-UONOGXRCSA-N 307.394 -0.162 30 20 DBED COCC#CCNC1CCN(C(=O)[C@@H](C)S(C)(=O)=O)CC1 1201273922 ABPVKYLZSLTGAS-GFCCVEGCSA-N 316.423 -0.350 30 20 DBED CC(=O)N1CCC[C@@H]1C(=O)N1CCCO[C@H](CNCC#N)C1 1202173726 LGQNFUBFVWJEAF-ZIAGYGMSSA-N 308.382 -0.272 30 20 DBED CCC[C@@H](C(=O)N1CCC(CNCC#N)CC1)S(N)(=O)=O 1205762560 JUNJZRLMOVRZSY-LBPRGKRZSA-N 316.427 -0.205 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2cccn2C)[C@H](C)C1 1205983276 GADBLTWVYJDCMK-CHWSQXEVSA-N 302.378 -0.175 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)c2ncn(C)n2)C1 1207983267 NFFPOTYTKUDDNE-VXGBXAGGSA-N 318.381 -0.853 30 20 DBED CC[C@H](C)CC(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1OC 1212182139 AHBBRZXJCIKSPZ-YNEHKIRRSA-N 310.398 -0.122 30 20 DBED COCCCNC(=O)CN[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1C 1214338203 LGSAREWLVYDMMS-YNEHKIRRSA-N 310.398 -0.265 30 20 DBED C=C(C)CN(CC)C(=O)CN[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1C 1214370455 ZIXYEWYDSKZULB-CHWSQXEVSA-N 324.425 -0.277 30 20 DBED C#CCCN[C@@H]1CN(C(=O)[C@H](CCC)S(N)(=O)=O)C[C@H]1C 1215228327 JXPPXDNKQRSKIV-UPJWGTAASA-N 315.439 -0.097 30 20 DBED C#CCCCC(=O)N1CCO[C@@H]2CN(CCOCCO)C[C@@H]21 1217758390 KVKGGABVTNHBRO-LSDHHAIUSA-N 310.394 -0.290 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2ccns2)C[C@@H]1O 1219604893 CIEMHGLSAWWETD-UHTWSYAYSA-N 309.391 -0.157 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)Cc2cscn2)C1 1220495511 ZLCSYGVNRRMZTM-OLZOCXBDSA-N 309.391 -0.503 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2cnn(CCCOC)c2)C1 1220708061 JJKMJPNKPOKFJU-KGLIPLIRSA-N 306.366 -0.672 30 20 DBED Cn1ccc(C(=O)NCC[C@@H]2CN(CC#N)CCS2(=O)=O)c1 1230445706 VFZYUFIRJKUQHX-CYBMUJFWSA-N 324.406 -0.232 30 20 DBED Cc1c(C(=O)N(C)C[C@H]2CCN2CC(=O)NCC#N)cnn1C 1230762169 IRIFUNJSMSMABE-GFCCVEGCSA-N 318.381 -0.485 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC[C@@H]1CN(C)C(=O)Cn1nccn1 1234583827 OZJMTASITZNZAP-CHWSQXEVSA-N 320.397 -0.499 30 20 DBED N#CCN1CC[C@H](NC(=O)COc2ccc(C(N)=O)cc2)C1 1316994503 JNFGUNVXHDFWFI-LBPRGKRZSA-N 302.334 -0.122 30 20 DBED C#CCNC(=S)N[C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 1319956004 URPZGWRTHWZNJV-PWSUYJOCSA-N 302.421 -0.180 30 20 DBED C#CCN(CC#N)C(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1 1321164657 KWCZIPVWGDDJOT-UHFFFAOYSA-N 320.330 -0.742 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@H](C)c1nc(C)no1)[C@@H]1CCCO1 1322599911 YUYKFYMYDXXSCT-MIMYLULJSA-N 306.322 -0.148 30 20 DBED C[C@@H]1C[C@@H](CNC(=O)C(=O)N2CC[C@](O)(CC#N)C2)CCO1 1326125104 BZZPIYWDFQOMCC-TYNCELHUSA-N 309.366 -0.205 30 20 DBED C#CCONC(=O)c1cc(S(=O)(=O)NCCOC)c[nH]1 1327627773 YUSRWXVIGNLOLZ-UHFFFAOYSA-N 301.324 -0.766 30 20 DBED CN(C[C@H]1CCOC1)C(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1329478649 NLMJUZIKXRZYBM-OCCSQVGLSA-N 320.393 -0.320 30 20 DBED CC(C)N(CCN(C)C)C(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1332371958 JOZHQGWLNWZMJN-HNNXBMFYSA-N 310.398 -0.338 30 20 DBED CO[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1 1332478621 XFRCNVHGIWEPPZ-MRVWCRGKSA-N 320.393 -0.131 30 20 DBED C=C(C)COCCn1nnnc1N1CCO[C@H](CNC(C)=O)C1 1335565690 YRJWUKGOHZPJMK-CYBMUJFWSA-N 324.385 -0.393 30 20 DBED C=CCC1(O)CCN(c2nnnn2[C@H]2CCN(C)C2=O)CC1 1335785681 SAMDGEVCMCIRDW-NSHDSACASA-N 306.370 -0.016 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N1CC[C@@H](C(=O)OCC)C1 1336457018 HSYXRTRSOMDIBP-CYBMUJFWSA-N 304.346 -0.117 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1O[C@H]2C=C[C@H]1CC2 1349384138 NGKYGXIAMQWAHU-QWRGUYRKSA-N 314.363 -0.436 30 20 DBED CN(C)CCCN(C)C(=O)CCn1cc(C#N)c(O)nc1=O 1362219538 GWRNITLEPPQVQH-UHFFFAOYSA-N 307.354 -0.379 30 20 DBED COCn1ccc(C(=O)NCCn2cc(C#N)c(O)nc2=O)n1 1363287186 MUYXWGBVXJFTKG-UHFFFAOYSA-N 318.293 -0.949 30 20 DBED Cc1c(C#N)c(=O)n(CCNS(C)(=O)=O)c(=O)n1C1CC1 1364615778 XIXMUSNLCGBYAX-UHFFFAOYSA-N 312.351 -0.926 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N[C@@H](CO)C[C@@H]1CCCO1 1364933654 GXVMMBJTZYXAFM-UTUOFQBUSA-N 305.400 -0.015 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](C)CNC(=O)c1ccc2nnc(O)n2c1 1377279779 WLADTVGCTJNYKD-DTWKUNHWSA-N 316.321 -0.171 30 20 DBED CN(CCNC(=O)c1ncn(C)n1)C(=O)c1cc(C#N)c[nH]1 1386878352 AHLIKUWHXXJBAE-UHFFFAOYSA-N 301.310 -0.483 30 20 DBED CCN(CCNC(=O)c1cnnn1C)C(=O)c1cc(C#N)c[nH]1 1387191536 KPWCNEKJVFPDGT-UHFFFAOYSA-N 315.337 -0.093 30 20 DBED CC1CCN(CC(=O)NC[C@@H](O)CNC(=O)[C@@H](C)C#N)CC1 1392161196 LPLSSDJKMNESNA-QWHCGFSZSA-N 310.398 -0.529 30 20 DBED CCN(CCNC(=O)[C@H](C)S(C)(=O)=O)C(=O)[C@H](C)C#N 1398105807 PYQZDMLUTFEPQO-ZJUUUORDSA-N 303.384 -0.456 30 20 DBED C[C@@H](CNC(=O)c1ncn(C)n1)N(C)C(=O)c1cc(C#N)c[nH]1 1404342769 HCFFMHBMMBGLRN-VIFPVBQESA-N 315.337 -0.095 30 20 DBED C=C(Cl)CN1CCOC[C@H]1CNC(=O)Cn1ncnn1 1407739168 AFGIQPKFDDPMLS-SNVBAGLBSA-N 300.750 -0.757 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CN(C)C(=O)CC1CCN(C)CC1 1413253863 GPHRKGMMPZHVRS-OCCSQVGLSA-N 324.425 -0.187 30 20 DBED C[C@@H](C#N)C(=O)N(CCNC(=O)CCn1cncn1)C1CC1 1415839441 XLQLUUCFPYJEQU-NSHDSACASA-N 304.354 -0.065 30 20 DBED COc1ccc(C(=O)NC[C@@H](O)CNC(=O)[C@H](C)C#N)cn1 1416782517 ZQKRFLWJGQSXPQ-KOLCDFICSA-N 306.322 -0.543 30 20 DBED CCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@@]1(O)CCOC1 1417502131 KSOGXUWAGQOWIJ-RISCZKNCSA-N 307.354 -0.279 30 20 DBED CCN(CCNC(=O)c1ncn(C)n1)C(=O)c1ccc(C#N)[nH]1 1431628249 AWCAOMBEQQTDOA-UHFFFAOYSA-N 315.337 -0.093 30 20 DBED C=C(Cl)CN1CCN(CCNC(=O)CN(C)C(C)=O)CC1 1441048457 ATHFFQAIZAHEPI-UHFFFAOYSA-N 316.833 -0.049 30 20 DBED Cc1ccnc2nc(C(=O)N[C@H](C)CNC(=O)[C@H](C)C#N)nn12 1448169092 BJFXIDOGKJMFCI-RKDXNWHRSA-N 315.337 -0.173 30 20 DBED C[C@H](C#N)C(=O)N[C@@H](CNC(=O)CCN1CCOCC1)C1CC1 1493623472 PVTOAFCIUGHUND-OCCSQVGLSA-N 322.409 -0.121 30 20 DBED CCN(CCNC(=O)[C@H](C)C#N)C(=O)c1ccc(C(N)=O)cn1 1496937383 HXUHVVHZSDZEAN-SNVBAGLBSA-N 317.349 -0.082 30 20 DBED CCN(CCNC(=O)[C@@H](C)C#N)C(=O)C(C)(C)S(C)(=O)=O 1529070143 UJAJPWVXTKETIB-JTQLQIEISA-N 317.411 -0.066 30 20 DBED C#CCN(C)c1nnc([C@H]2C[C@@H](N)C2)n1C[C@@]1(O)CCOC1 1574614650 HIZPYMXAJUIYFG-ZOWXZIJZSA-N 305.382 -0.296 30 20 DBED CCC[C@H]1C(=O)NCCN1c1cnc(C#N)c(-c2nn[nH]n2)n1 1577388648 UQLHWXZMNODEQK-VIFPVBQESA-N 313.325 -0.367 30 20 DBED N#Cc1ncc(N[C@@H]2CCCC[C@H]2C(N)=O)nc1-c1nn[nH]n1 1581883076 NZBPDCUZLGABPR-HTQZYQBOSA-N 313.325 -0.016 30 20 DBED C#CC[C@@H](NC(=O)CSc1nnc(CCC)n1N)C(=O)O 1588405259 LCZFCZJOCHLSHI-MRVPVSSYSA-N 311.367 -0.371 30 20 DBED C[C@@H](C(=O)N[C@H](Cc1ccncc1)C(=O)O)n1cnc(C#N)n1 1588552644 YATMDVIVTLWYKE-GXSJLCMTSA-N 314.305 -0.082 30 20 DBED C[C@H](C(=O)NCC(=O)O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 1589396796 MJPRBZUUTMPBGA-PWSUYJOCSA-N 318.333 -0.004 30 20 DBED CO[C@@H](Cn1c(N)nc(-c2nn[nH]n2)c1C#N)[C@@H]1CCOC1 1591333142 JEXXZQWFEOLQBZ-APPZFPTMSA-N 304.314 -0.431 30 20 DBED N#CCN1C[C@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@H]2C1 1592677959 MJEYRRMLDVATIH-AOOOYVTPSA-N 312.337 -0.278 30 20 DBED CC1(C)NC(=O)N(CCCC(=O)N(CC#N)CCC(=O)O)C1=O 1593968946 PIDXTGKZUWTWFC-UHFFFAOYSA-N 324.337 -0.076 30 20 DBED N#CCCN(CCC#N)C(=O)CNC1(C(=O)O)CCOCC1 1594609768 BEXRPAWPFWTITI-UHFFFAOYSA-N 308.338 -0.134 30 20 DBED C#CCOCCC(=O)NCC1(NC(=O)[C@@H]2C[C@@H]2C(=O)O)CCC1 1602728362 SKGSAZCJAMRNQN-NEPJUHHUSA-N 322.361 -0.098 30 20 DBED Cn1c(=O)[nH]c(N2CCC[C@@H]2CN2CCOCC2)c(C#N)c1=O 1650232986 JUZIELVISVQJQV-LLVKDONJSA-N 319.365 -0.754 30 20 DBED C=CCNC(=O)[C@H](C)N1CC[C@H](NC(=O)Cn2cccn2)C1 1713816508 DDPFREHIMLGDMM-STQMWFEESA-N 305.382 -0.236 30 20 DBED N#CCN1CCN(CCNC(=O)[C@H]2CCc3cncn3C2)CC1 1752367173 IFSQTZAWTYAXNB-AWEZNQCLSA-N 316.409 -0.297 30 20 DBED C#CCNC(=O)CN1CC[C@H](CNC(=O)Cc2cnn(C)c2)C1 1753123916 REZPQCSNLGYBGC-CYBMUJFWSA-N 317.393 -0.850 30 20 DBED C#CCNC(=O)CN(C)C[C@@H]1CCN(C(=O)C2CC(OC)C2)C1 1753352577 OHJPICWBJKVVRQ-NFOMZHRRSA-N 321.421 -0.059 30 20 DBED C#CCNC(=O)CN1CC(CNC(=O)c2ocnc2CC)C1 1753409608 UGGASSZLXNSUAJ-UHFFFAOYSA-N 304.350 -0.352 30 20 DBED C#CCN[C@H]1CCN(C(=O)CCNS(C)(=O)=O)C[C@@H]1C 1753755814 WLIKQPFKLKMNIW-RYUDHWBXSA-N 301.412 -0.615 30 20 DBED COCC#CCNC/C=C\CNC(=O)[C@@H]1CCc2nncn2C1 1754210078 QJNUOWGQFMMGCE-PYLYLYNFSA-N 317.393 -0.248 30 20 DBED C#CCNC(=O)CNC[C@H](C)NC(=O)CCc1cncn1C 1754294182 ZBYDDEZRAQYMNG-LBPRGKRZSA-N 305.382 -0.804 30 20 DBED CC(C)C[C@@]1(C(=O)NC[C@]2(O)CCN(CC#N)C2)CCNC1=O 1754754881 RGVAAVYSNSLFJI-CVEARBPZSA-N 322.409 -0.385 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)NCC1(O)CN(CCOC)C1 1754776085 OPKUKLSGXUDRNA-CYBMUJFWSA-N 313.398 -0.733 30 20 DBED Cc1cc(C(=O)NC[C@H]2COCCN2CC(=O)NCC#N)co1 1754966080 RYNYJVMFCKSBDX-ZDUSSCGKSA-N 320.349 -0.342 30 20 DBED C#CCN[C@@H](CO)CNC(=O)c1ccc2c(c1)NC(=O)CO2 1755632805 XUMWGFNQBWYLON-LLVKDONJSA-N 303.318 -0.669 30 20 DBED C#CCOCCC(=O)N(C)[C@H](C)CNC(=O)[C@@H](C)NC(C)=O 1756001625 BYALKDHNXJXKLV-VXGBXAGGSA-N 311.382 -0.486 30 20 DBED C=C(C)CCC(=O)NC[C@@H](C)N(C)C(=O)CS(=O)(=O)NC 1756036604 OZKZKCXIFXBYRW-LLVKDONJSA-N 319.427 -0.145 30 20 DBED C=C[C@@](C)(O)CC(=O)N(C)[C@H](CNC(=O)CC(N)=O)C1CC1 1756408673 DVSUFFAPTGNHOG-IAQYHMDHSA-N 311.382 -0.458 30 20 DBED Cn1ncc(C(=O)NC[C@@H](CO)NC(=O)C#CC(C)(C)C)c1N 1756513518 JFPAZOIBFJKXDG-JTQLQIEISA-N 321.381 -0.741 30 20 DBED C=CCC(C)(C)C(=O)N[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2)C[C@@H]1O 1757175285 YLZGJUKYVFKLML-UTUOFQBUSA-N 323.393 -0.445 30 20 DBED C=CCOCCCC(=O)N1CCCC12CN(C(=O)C(O)O)C2 1841603794 BSOVDBVGJMYPCL-UHFFFAOYSA-N 312.366 -0.517 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](C)NC=O 1847813786 SGHNFFOZCPGDJW-RFGFWPKPSA-N 323.393 -0.086 30 20 DBED CN(Cc1nc(N)nc(N)n1)S(=O)(=O)c1cccc(C#N)c1 54234153 IDSCYBPOWHRMCC-UHFFFAOYSA-N 319.350 -0.272 30 20 DBED C#CCNC(=O)c1ccccc1NC(=O)CN(C)S(C)(=O)=O 66289445 BFOOBOKSTGGAGV-UHFFFAOYSA-N 323.374 -0.121 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)CCCOCC=C)CC1 80003574 QUVLGRASKSLGGO-UHFFFAOYSA-N 307.394 -0.137 30 20 DBED CN1C(=O)C[C@@H](NS(=O)(=O)c2cccc(F)c2C#N)C1=O 88777780 QKAMFMMSSZAHDT-SECBINFHSA-N 311.294 -0.267 30 20 DBED C=C1CCN([C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1 264430926 CJYAQXRLMWQHKE-SNVBAGLBSA-N 306.366 -0.111 30 20 DBED N#Cc1cccc(S(=O)(=O)NC[C@H]2CC[C@H](C(N)=O)O2)c1 268316725 DJMPBTMHULARAJ-ZYHUDNBSSA-N 309.347 -0.131 30 20 DBED CCOC(=O)N1CCN(C(=O)Cn2cnc(C#N)c2C#N)CC1 272436156 ROYCNXVBRSYMRI-UHFFFAOYSA-N 316.321 -0.073 30 20 DBED C=CCS(=O)(=O)CCNC(=O)NC[C@]1(O)CCSC1 272849618 NICFKDJMDMMJFL-LLVKDONJSA-N 308.425 -0.246 30 20 DBED N#CCN1CCN(C(=O)CNC(=O)Cc2ccc(O)cc2)CC1 274288072 PGYMGBHACZMMLY-UHFFFAOYSA-N 316.361 -0.281 30 20 DBED COC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)C#Cc1ccccc1 275255209 IZKRAYCNMKOPKG-CYBMUJFWSA-N 321.354 -0.163 30 20 DBED C#C[C@@H](C)NC(=O)[C@@](C)(O)CN1C(=O)NC2(CCCC2)C1=O 281690126 VGSIVAUFYDSQKE-YGRLFVJLSA-N 307.350 -0.260 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@H]3CNC[C@H]3C2)C1=O 290075705 INMQNELASKVBFN-MNOVXSKESA-N 320.349 -0.969 30 20 DBED CS(=O)(=O)NCCNS(=O)(=O)Cc1cccc(C#N)c1 298417854 LDPVQXBQCWMEJO-UHFFFAOYSA-N 317.392 -0.473 30 20 DBED CS(=O)(=O)N1CCC[C@@H]1C/N=C(/O)N[C@@H]1[C@H]2COC[C@H]21 329986285 FCINCLDFSPAWIU-ZNSHCXBVSA-N 303.384 -0.441 30 20 DBED CN1C[C@H](/N=C(/O)N2CCN(C[C@@H]3CCOC3)CC2)CC1=O 330126796 IVFKJFXXNVQDJE-QWHCGFSZSA-N 310.398 -0.215 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H](CO)c1cnn(C)c1 330371396 IVGPFDWUGKDLRN-ZYHUDNBSSA-N 315.399 -0.231 30 20 DBED CNS(=O)(=O)c1cc(/C(O)=N/[C@H]2CNC(=O)C2)c(C)o1 330747302 WXSMHRXHJQVIPA-SSDOTTSWSA-N 301.324 -0.311 30 20 DBED C/N=C(/O)NCC(=O)N1CCC[C@H](n2cc(C(=O)OC)nn2)C1 330870344 FNVSGHVNTUGAFS-VIFPVBQESA-N 324.341 -0.638 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CCC[C@H](S(N)(=O)=O)C1 336955329 YHTKSLVLSZYUPR-JTQLQIEISA-N 324.428 -0.780 30 20 DBED C=CCNC(=O)NC(=O)CSc1nnnn1CCN(C)C 337956465 YZWVTTCCLKSCIO-UHFFFAOYSA-N 313.387 -0.661 30 20 DBED COC(=O)c1cn(C2CN(C(=O)c3c[nH]c(C#N)c3)C2)nn1 354705057 NVFSMWLWWPIDES-UHFFFAOYSA-N 300.278 -0.038 30 20 DBED CC[C@@H](C)[C@H](NS(C)(=O)=O)C(=O)N1CC(O)(CC#N)C1 356874238 LXGDMAGIEHHJDF-ZJUUUORDSA-N 303.384 -0.563 30 20 DBED N#CCC1(CNS(=O)(=O)N2CCS(=O)(=O)CC2)CC1 429982857 TUVVBOVUIDZEAV-UHFFFAOYSA-N 307.397 -0.755 30 20 DBED CN1CCN(C)[C@@H](CNC(=O)C(=O)Nc2ccc(C#N)cc2)C1 478804894 HJRVXWUSXIHXLR-AWEZNQCLSA-N 315.377 -0.141 30 20 DBED C#CCNS(=O)(=O)c1cccc(C(=O)NCCC(=O)O)c1 490829886 GVLMXGMYPIDGHW-UHFFFAOYSA-N 310.331 -0.197 30 20 DBED C#CCN(C)CCCNC(=O)N(C)[C@H]1CCS(=O)(=O)C1 491164769 FOYRFYBSSZPDPJ-LBPRGKRZSA-N 301.412 -0.230 30 20 DBED C#CCN(C)CCCNC(=O)N[C@H](CC)CNS(C)(=O)=O 491461469 FDPKWJOUYBBTRL-GFCCVEGCSA-N 318.443 -0.432 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N1CC[C@@H]2NC(=O)OC[C@H]2C1 495776616 HBWDXNZSYZEKCQ-MXWKQRLJSA-N 316.383 -0.105 30 20 DBED CNC(=O)[C@@H]1CN(C[C@H](O)COc2ccccc2C#N)CCO1 528443143 ORSPPEDNAMGXCE-ZFWWWQNUSA-N 319.361 -0.255 30 20 DBED COCCN1CCN(Cc2cnc3c(C#N)cnn3c2)CC1=O 578359510 YDIUMUVHHHZNFO-UHFFFAOYSA-N 314.349 -0.108 30 20 DBED CC[C@H]1C[C@H](C(=O)N2CCN(C(=O)CC#N)CC2)CC(=O)N1 583152478 VXIQVPAGQAWXGD-RYUDHWBXSA-N 306.366 -0.124 30 20 DBED N#Cc1cccc(C(=O)N2CCN(CC(=O)NC3CC3)CC2)n1 589258112 JIEZWNYCDZWBNE-UHFFFAOYSA-N 313.361 -0.010 30 20 DBED CO[C@@H](CS(=O)(=O)NCCn1cnc(C#N)n1)C(C)C 592053065 YKBQMSTUPGEUKH-JTQLQIEISA-N 301.372 -0.260 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N[C@]1(C(=O)O)CCOC1 593271332 KBPKZXCUQXCBCL-MWLCHTKSSA-N 305.356 -0.454 30 20 DBED C[C@H](CNC(=O)N(C)CCCc1[nH]nc(N)c1C#N)C(=O)O 594529174 PBMWCERZRIAIFP-MRVPVSSYSA-N 308.342 0.158 30 20 DBED C=CCCOCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 620163173 OXGLWZZGXBDNQG-ZDUSSCGKSA-N 316.423 -0.090 30 20 DBED O=C1CCc2cc(S(=O)(=O)NCC#CCO)c(F)cc2N1 632516402 FHPQEGNRWWDQNJ-UHFFFAOYSA-N 312.322 -0.016 30 20 DBED C[C@@H](O)c1cn(CC(=O)NCCNc2ccc(C#N)cn2)nn1 763026143 WYEKTSOMAXENJU-SNVBAGLBSA-N 315.337 -0.174 30 20 DBED C=CCS(=O)(=O)NC(=O)Cn1nnc2ccccc2c1=O 772718121 YCIKPCVTQNUMIN-UHFFFAOYSA-N 308.319 -0.577 30 20 DBED C=CCNC(=O)CNC(=O)c1ccc(F)c(S(N)(=O)=O)c1 777515497 SEZIVKXWMOQXAM-UHFFFAOYSA-N 315.326 -0.495 30 20 DBED N#Cc1cnn2c(O)cc(COC(=O)CNC(=O)C3CC3)nc12 782750174 MOTDLHNQJOQNGB-UHFFFAOYSA-N 315.289 -0.124 30 20 DBED C#CCC[C@@H](O)CNC(=O)NC[C@@H]1COC2(CCOCC2)O1 798449997 AIRWMPUFTLPXJM-CHWSQXEVSA-N 312.366 -0.018 30 20 DBED CC1(O)CCC(NS(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 800074845 UFQSZIXKMMDUNL-CXQJBGSLSA-N 303.384 -0.261 30 20 DBED N#Cc1ncn(CCNC(=O)c2ccc3nnc(S)n3c2)n1 804620165 JMKFFGSCYQPDRJ-UHFFFAOYSA-N 314.334 -0.089 30 20 DBED C#CCCCNC(=O)C(=O)N1CCN(c2cnccn2)CC1 806914751 YNJJMGASDKEVKJ-UHFFFAOYSA-N 301.350 -0.345 30 20 DBED C#CCONC(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1 812781184 JYFNXNIZBZMFEE-GFCCVEGCSA-N 304.281 -0.073 30 20 DBED N#C[C@@H]1CNC[C@H]1NC(=O)CCN1C(=O)[C@H]2CCCC[C@H]2C1=O 834511527 LZIQBERSWRSBPD-FVCCEPFGSA-N 318.377 -0.221 30 20 DBED Cc1ccc(S(N)(=O)=O)c(C(=O)N[C@@H]2CNC[C@@H]2C#N)c1 843460270 MXGNPIYJBPNLLN-GXSJLCMTSA-N 308.363 -0.516 30 20 DBED CCOC(=O)CNC(=O)[C@H]1COCCN1C(=O)C#CC(C)C 854383248 ZPWKNLJCPNBJNJ-GFCCVEGCSA-N 310.350 -0.448 30 20 DBED N#Cc1cnc(C(=O)NN2CCS(=O)(=O)CC2)c(Cl)c1 862734489 KBUQDMOLJYRGEI-UHFFFAOYSA-N 314.754 -0.018 30 20 DBED C#CCN1CCC[C@@H](NS(=O)(=O)CCCOC(C)=O)C1 885512490 WGTMUKKCKUUNGD-CYBMUJFWSA-N 302.396 -0.043 30 20 DBED C#CC1(O)CN(S(=O)(=O)c2ccsc2C(=O)OC)C1 908228269 BCEOHLZSLRYEGO-UHFFFAOYSA-N 301.345 -0.097 30 20 DBED C#CCN1CCC[C@H](NC(=O)CNS(=O)(=O)CCCC)C1 923566945 PHFSGPJENONQAA-ZDUSSCGKSA-N 315.439 -0.080 30 20 DBED C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1NC(=O)c1nc[nH]n1 939062813 UZYSFSUJQRKKFU-LDYMZIIASA-N 313.321 -0.105 30 20 DBED C[C@H](C#N)C(=O)N1CCC2(CC1)CN(C(=O)[C@H]1CNC(=O)N1)C2 945029650 ABUDOXZZHXMNNR-GHMZBOCLSA-N 319.365 -0.722 30 20 DBED Cc1nn(CC(=O)N[C@H]2CCN(CC#N)[C@@H](C)C2)c(=O)n1C 947984647 JFWFOGKEDMPGLH-JQWIXIFHSA-N 306.370 -0.617 30 20 DBED CC[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)CC[C@@H]1NC(=O)C(N)=O 948360245 WSOXDUKCGQZZHU-QWRGUYRKSA-N 317.349 -0.271 30 20 DBED CC[C@@H]1CN(C(=O)C(N)=O)CC[C@@H]1NC(=O)c1c[nH]c(C#N)c1 948524341 FGSJCFWECQAGLE-SKDRFNHKSA-N 317.349 -0.271 30 20 DBED CN1C[C@H](C(=O)NC[C@H]2CCN2C(=O)C#CC2CC2)NC1=O 951470592 HSHXXMFGCLRMBX-VXGBXAGGSA-N 304.350 -0.860 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H](NC(=O)CN2CCCNC2=O)C1 951868466 STTRGUAKLAKZNG-RYUDHWBXSA-N 321.381 -0.331 30 20 DBED C[C@@H](C#N)C(=O)N1CC(N(C)C(=O)[C@H]2CCc3nncn3C2)C1 954497004 RERJJTDRKXHRAI-QWRGUYRKSA-N 316.365 -0.331 30 20 DBED COCC(=O)N1CC[C@H](N2CCN(C(=O)[C@H](C)C#N)CC2)C1 956605564 LDVNPTFVONLOMH-OLZOCXBDSA-N 308.382 -0.462 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@](C)(NC(=O)c2cnn(C)c2N)C1 956844548 CZNRCOJRAHUAHA-LKFCYVNXSA-N 304.354 -0.117 30 20 DBED N#Cc1ccc(CN2C[C@H]3C(NC(=O)Cn4cnnn4)[C@@H]3C2)cc1 958181707 PMQIIUJZAJOSGP-ZIAGYGMSSA-N 323.360 -0.209 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2ccc(N(C)C)nc2)C1 958203908 VSYYZNJQPQEEDT-ZIAGYGMSSA-N 302.378 -0.197 30 20 DBED C#CCCN1C[C@@H](O)[C@@H](CNC(=O)c2cccc3ncnn23)C1 958224363 VHMWNWORLUNAIA-GXTWGEPZSA-N 313.361 -0.225 30 20 DBED C#CCCN1C[C@H](O)[C@H](CNC(=O)c2ccn(CCOC)n2)C1 958249842 WIUAZLABPRZPJL-HIFRSBDPSA-N 320.393 -0.425 30 20 DBED C#CCN1C[C@H](CNC(=O)c2cnn(CCN(C)C)c2)[C@@H](O)C1 958468064 RCODHJRXCYHGQN-ZFWWWQNUSA-N 319.409 -0.900 30 20 DBED Cc1cc(C(=O)N(C)[C@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)nn1C 958680621 XGERLGDCDSYVRY-XDTLVQLUSA-N 319.365 -0.468 30 20 DBED NC(=O)CC(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)C#CC1CC1 962885289 SYLORMOPPMBTHQ-CHWSQXEVSA-N 303.362 -0.133 30 20 DBED C=CCN[C@@H]1CCN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 970285389 MRPRJRWZHYCEGZ-SNVBAGLBSA-N 302.338 -0.552 30 20 DBED N#CCN1CCO[C@@]2(CCN(C(=O)C[C@@H]3CCC(=O)NC3)C2)C1 972411422 ZRCYCQSZEYIEFU-BBRMVZONSA-N 320.393 -0.270 30 20 DBED CC#CCN1CCO[C@]2(CCN(C(=O)Cn3cncn3)C2)C1 972667260 MFAPBFZXHQFJEF-OAHLLOKOSA-N 303.366 -0.395 30 20 DBED NC(=O)C(=O)N1CCC[C@@H]2CN(C(=O)C#CC3CC3)CC[C@@H]21 973749780 AZTHKOLPWZZYDD-OLZOCXBDSA-N 303.362 -0.275 30 20 DBED CCN1CCO[C@H](C(=O)N[C@H]2[C@@H]3CN(C(=O)[C@@H](C)C#N)C[C@@H]32)C1 976607129 RAYVBOMPIDXSRL-PDWCTOEPSA-N 320.393 -0.560 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(CC(N)=O)CC2(C)C)cn1 977528829 VYQVXFBBAOKHBI-CYBMUJFWSA-N 300.362 -0.012 30 20 DBED CC#CCN1C[C@@H](NC(=O)CN2C(=O)CNC2=O)C(C)(C)C1 977582243 ZOJIZBGTSMVJLI-LLVKDONJSA-N 306.366 -0.612 30 20 DBED C#CCN1C[C@@H]2CC[C@@H](NC(=O)C3CS(=O)(=O)C3)C[C@H]2C1 979722254 BOWOUFBRSTUMPB-SGMGOOAPSA-N 310.419 -0.119 30 20 DBED N#CCN1C[C@H]2C[C@@H](NC(=O)CN3C(=O)CNC3=O)CC[C@H]2C1 980249175 XDSXPGUXJRHEDK-TUAOUCFPSA-N 319.365 -0.722 30 20 DBED C=CCN[C@@H]1CCC[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 981361033 YAVGEIXVLWBSNJ-NEPJUHHUSA-N 320.393 -0.099 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)C1CCN(C(=O)C(N)=O)CC1 986993295 UKPXLJPUGMCVMZ-UHTWSYAYSA-N 323.393 -0.194 30 20 DBED C#CCN[C@@H]1C[C@H](C)N(C(=O)c2coc(S(N)(=O)=O)c2)C1 989058365 VHJZTEDNUVVHFU-GXSJLCMTSA-N 311.363 -0.247 30 20 DBED C=CCCn1cc(C(=O)N2CC(NC(=O)[C@H]3CCOC3)C2)nn1 990413908 BMILQKRKWDAXBY-NSHDSACASA-N 319.365 -0.169 30 20 DBED CC#CCN1CC[C@]2(NC(=O)CN3CCNC(=O)C3)CCC[C@H]12 992108337 PLKACNPFYZCWTG-WMLDXEAASA-N 318.421 -0.445 30 20 DBED C=CCN[C@@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)CC1(C)C 995827721 VNCIYJCZLUOIPX-SNVBAGLBSA-N 306.370 -0.610 30 20 DBED C[C@@H](C#N)C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cn1ncnn1 996694587 JGXIWORWIRYVJD-VLEAKVRGSA-N 303.326 -0.919 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CN[C@@H]2CCC(=O)NC2=O)CC1 997622755 DSGSOEDFIUAOOG-CMPLNLGQSA-N 306.366 -0.221 30 20 DBED C=CCNC1CC(N(C)C(=O)c2cc(=O)n3[nH]cnc3n2)C1 999683067 VQCGKZJQQDWYFV-UHFFFAOYSA-N 302.338 -0.204 30 20 DBED N#CCN1CC[C@H](n2cc(CNC(=O)[C@H]3COCCO3)nn2)C1 999955462 KWNZGJBOBZHAMA-QWHCGFSZSA-N 320.353 -0.920 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)CO[C@H]2CCOC2)C1 1000013587 KCLSENIKAZOBNS-MJBXVCDLSA-N 324.377 -0.290 30 20 DBED C#CCN[C@H]1CCCN(C(=O)C2CC3(C2)NC(=O)NC3=O)C1 1000441054 DACNZHJDMCSQPI-VTWZXRTESA-N 304.350 -0.812 30 20 DBED O=C(Cn1nccn1)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C#CC1CC1 1003012296 PVVXNPCDRLOYAJ-MCIONIFRSA-N 313.361 -0.060 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@]2(CN(C(=O)CC(N)=O)CCO2)C1 1007685168 NUVAXHTXPUZCKV-INIZCTEOSA-N 323.393 -0.096 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2CCN(CC(=O)NC3CC3)C2)[nH]1 1010647413 YVBBONTUQPISIH-LBPRGKRZSA-N 301.350 -0.031 30 20 DBED C[C@H]1[C@H](NC(=O)Cn2ncnn2)CCN1C(=O)C#CC1CC1 1011746395 MLDMFJMUZQYZHT-CMPLNLGQSA-N 302.338 -0.808 30 20 DBED N#Cc1c[nH]c(C(=O)NC2CC3(CC(NC(=O)C(N)=O)C3)C2)c1 1013992759 QCBQYWGQRTVQPQ-UHFFFAOYSA-N 315.333 -0.471 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCN(CC(=O)N2CCC2)C1 1014768952 GRTFKLRGVCEMMM-CABCVRRESA-N 318.421 -0.493 30 20 DBED C#CCN1[C@H]2CC[C@H]1CC(NC(=O)CN1CCC(=O)NC1=O)C2 1021430617 JWEDPPXZVQXTOX-STQMWFEESA-N 318.377 -0.327 30 20 DBED C=CCN1CC[C@H]2[C@H](CCCN2C(=O)CN2CCNC(=O)C2)C1 1021653215 VPKKWEZVDVHCHG-CABCVRRESA-N 320.437 -0.083 30 20 DBED C=CCCN1[C@H]2CC[C@H]1CN(C(=O)CN1C(=O)CNC1=O)C2 1029577077 FHJOKOQPDXLNRY-RYUDHWBXSA-N 306.366 -0.211 30 20 DBED C=C(C)CCN1CC(NC(=O)CN2CCS(=O)(=O)CC2)C1 1031381368 YPPCXORJKHLQGD-UHFFFAOYSA-N 315.439 -0.517 30 20 DBED CC#CCN1CC(CNC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 1031886453 LAZKBRRCWFHZOO-UHFFFAOYSA-N 314.353 -0.621 30 20 DBED C=CCCN1CC(CNC(=O)[C@@H]2CCN(C)S2(=O)=O)C1 1032045254 SHLZUFWNDORMET-LBPRGKRZSA-N 301.412 -0.356 30 20 DBED COCCN1C[C@H](C(=O)N[C@H]2CCCCN(CC#N)C2)CC1=O 1034232938 ZIXHBSVERMPMTR-KGLIPLIRSA-N 322.409 -0.024 30 20 DBED C=CCN1CCO[C@@H](CNC(=O)[C@H]2CCN(C)S2(=O)=O)C1 1035545471 SKWLMESJOFJYTR-NWDGAFQWSA-N 317.411 -0.977 30 20 DBED C[C@H](C#N)C(=O)N1CCC2(CC1)CN(Cc1nnn(C)n1)C2 1035673970 RJHSFUWXYLJXDY-LLVKDONJSA-N 303.370 -0.206 30 20 DBED N#CCN1CC[C@@H]2CN(C(=O)CN3CCOCC3=O)CC[C@@H]21 1036739340 XDXOKBYIDQGIGL-OLZOCXBDSA-N 306.366 -0.708 30 20 DBED C=CCN1CC[C@H](N2CC[C@H]2CNC(=O)c2cnn(C)n2)C1=O 1038804651 NQPCAMNBTKFIIP-AAEUAGOBSA-N 318.381 -0.594 30 20 DBED CC#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CN1CC(=O)NC1=O 1039453201 NRQNOCTWBINANN-OLZOCXBDSA-N 318.377 -0.373 30 20 DBED C#CCCCC(=O)NC[C@@]1(O)CCN(C(=O)c2cnn(C)n2)C1 1039574569 VWLOSLWRSCBDNM-HNNXBMFYSA-N 319.365 -0.688 30 20 DBED O=C(C#CC1CC1)NC[C@]1(O)CCN(C(=O)c2cnon2)C1 1039680358 DSLZRNSMBHVEBM-CQSZACIVSA-N 304.306 -0.824 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC[C@@](O)(CNC(=O)c2cnon2)C1 1040664433 DDHINXJZAHIBLZ-UONOGXRCSA-N 324.337 -0.910 30 20 DBED CCCC(=O)NCC(=O)N1CC[C@](O)(CNC(=O)[C@H](C)C#N)C1 1040764581 WZVNFEMONDDOIT-ABAIWWIYSA-N 324.381 -0.858 30 20 DBED N#Cc1nccnc1N1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCCO2)C1 1040930177 BTCSQFVRBWRXDF-CYZMBNFOSA-N 317.349 -0.417 30 20 DBED CC#CCCCC(=O)N1CC(O)(CNC(=O)Cn2cccn2)C1 1041464125 HACVNBUFEPKZOH-UHFFFAOYSA-N 318.377 -0.234 30 20 DBED C=C1CCC(C(=O)N2CC(O)(CNC(=O)CC(N)=O)C2)CC1 1042220104 JLHHMKRVVIRTMR-UHFFFAOYSA-N 309.366 -0.702 30 20 DBED C#CCN1CC[C@H]2CCN(C(=O)c3nccnc3C(N)=O)C[C@H]21 1042350262 XLMHQKDJTYCOSZ-NWDGAFQWSA-N 313.361 -0.255 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)CC2OCCCO2)C1 1042763629 RTSICAOCNHBZQF-UHFFFAOYSA-N 324.377 -0.368 30 20 DBED Cc1cc(CC(=O)N2CC(O)(CNC(=O)C#CC(C)C)C2)no1 1042936739 ORAZYTNCAKRBJJ-UHFFFAOYSA-N 319.361 -0.126 30 20 DBED CN1CCC[C@@H]1C(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@@H]1O 1043873520 CYHCVGUHJZHSGC-MCIONIFRSA-N 315.377 -0.287 30 20 DBED C[C@H]1C[C@@H](NCC#N)CCN1C(=O)CCn1ncn(C)c1=O 1044689188 NIFKOKCIPBQWMB-RYUDHWBXSA-N 306.370 -0.535 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)c2ccc(O)nc2)C1 1045552668 VLSKQKOBAGTQTG-SECBINFHSA-N 304.306 -0.750 30 20 DBED N#CCN1CC[C@@H](N2CCN(C(=O)c3cnsn3)CC2)C1 1046006474 MKWDQABIEKLENM-LLVKDONJSA-N 306.395 -0.106 30 20 DBED Cn1nnnc1CN1CC[C@@](C)(NC(=O)c2ccc(C#N)[nH]2)C1 1046251462 NADWSBDYKWYDSD-CQSZACIVSA-N 314.353 -0.196 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)c2cc(C(N)=O)co2)C1 1046619148 WYCBNELQAXYQRJ-UHFFFAOYSA-N 321.333 -0.352 30 20 DBED C=CCn1cc(C(=O)N[C@]2(C)CCN(CC(=O)NC)C2)nn1 1046682285 YIIAKBZFPRZYMS-CQSZACIVSA-N 306.370 -0.596 30 20 DBED C=C[C@@](C)(CC)C(=O)N1CC(O)(CNC(=O)Cc2nc[nH]n2)C1 1046905726 WKAJMVQWNFTKRB-AWEZNQCLSA-N 321.381 -0.361 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)[C@H]2CC[C@@H](C)O2)C1 1047026009 COTAPZWNQHFKKO-JHJVBQTASA-N 324.377 -0.718 30 20 DBED CN(C(=O)c1c2c(nn1C)CCCC2)[C@H]1CN(CC#N)C[C@@H]1O 1047397004 JFBOGZYSJVCPFI-KBPBESRZSA-N 317.393 -0.060 30 20 DBED CN(C(=O)c1cn(CC2CC2)nn1)[C@H]1CN(CC#N)C[C@@H]1O 1047581390 XXIVAKWMKWCRAS-STQMWFEESA-N 304.354 -0.671 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)C2CCN(C(C)=O)CC2)C1 1047621591 RYUQZTHHIMDQAZ-HOTGVXAUSA-N 321.421 -0.228 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C(=O)C(C)(C)C)C1 1048585552 BVRFUXFIOZSREZ-DCAQKATOSA-N 309.366 -0.209 30 20 DBED CC(C)N(C)CC(=O)N(C)[C@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1O 1048973167 OJNVKWCDAGTQLG-AVGNSLFASA-N 310.398 -0.484 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)c2ccnn2C)C[C@@H]1O 1049389276 WHTVAKQFJWTPIN-USWWRNFRSA-N 305.338 -0.777 30 20 DBED C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1ccc(O)nc1=O 1049579289 KDDJFCSIMMMOAT-STQMWFEESA-N 316.361 -0.353 30 20 DBED CC(C)C#CC(=O)N[C@H](C)[C@@H]1CCN(C(=O)CNC(N)=O)C1 1049982936 JMNFCOIYDHGSQQ-VXGBXAGGSA-N 308.382 -0.333 30 20 DBED C[C@@H]1[C@@H](NC(=O)[C@@H]2CNC(=O)N2)CCN1c1ccnc(C#N)n1 1050952516 SIBMNFNYDOHUGP-UTLUCORTSA-N 315.337 -0.887 30 20 DBED CC#CCN1CCOC[C@@H]1CNC(=O)[C@H]1CCc2nn[nH]c2C1 1051210021 RHXKTZDQKWAHBC-STQMWFEESA-N 317.393 -0.250 30 20 DBED C[C@H](C#N)C(=O)N1CCOC2(CN(CC(=O)NC3CC3)C2)C1 1053190854 HDHQKKMBCDJRSR-LLVKDONJSA-N 306.366 -0.662 30 20 DBED C#CCN1CC2(C1)CN(C(=O)[C@@H]1CC(=O)N[C@@H](C)C1)CCO2 1053321612 LSFBJPYZVCSNJJ-STQMWFEESA-N 305.378 -0.553 30 20 DBED C#CCN1CC2(C1)CN(C(=O)[C@H]1CN(C(C)C)CCO1)CCO2 1053392726 GBCFOOGAKNYRJE-OAHLLOKOSA-N 321.421 -0.358 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC2(CN(CC(N)=O)C2)O1 1053663098 GGLZGZPZBOGCPM-UPJWGTAASA-N 323.393 -0.588 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)Cc3n[nH]c(C)n3)CO2)C1 1053797153 VFXSBIRPJCCCJN-LBPRGKRZSA-N 303.366 -0.362 30 20 DBED C=CCOCC(=O)N[C@]1(CO)CCCN(C(=O)c2cn[nH]c2)C1 1055830683 AXXBTLUYCUDWMY-OAHLLOKOSA-N 322.365 -0.304 30 20 DBED Cn1cncc1CC(=O)NC1[C@H]2CN(c3ccc(C#N)nn3)C[C@H]12 1056252187 APGXDDIZZMEIFP-STQMWFEESA-N 323.360 -0.125 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)COCCC 1057141477 ZDGFBDWAPUUMHF-UHFFFAOYSA-N 302.371 -0.447 30 20 DBED C=C[C@](C)(O)CC(=O)N(CCO)CCNC(=O)CC(C)(C)O 1057449461 CQZOPGAYNDYBIF-HNNXBMFYSA-N 316.398 -0.588 30 20 DBED C=C(C)CCC(=O)NCCN(CCO)C(=O)CCNC(N)=O 1057552383 PYIQTVNGJIEQKH-UHFFFAOYSA-N 314.386 -0.662 30 20 DBED C=C(C)CCC(=O)NCCN(CCO)C(=O)CCCC(N)=O 1057989664 XSFLNRMFKPFMTH-UHFFFAOYSA-N 313.398 -0.065 30 20 DBED N#Cc1ccc(N2CC[C@H](NC(=O)c3nccnc3N)C2)nn1 1058315597 HKZBPXCPXGVEQB-JTQLQIEISA-N 310.321 -0.271 30 20 DBED C=C[C@@H](C)[C@H](C)C(=O)N(CCO)CCNC(=O)Cn1cncn1 1058438406 WGISZXHAJHRHCN-OLZOCXBDSA-N 323.397 -0.327 30 20 DBED O=C(C#CC1CC1)NCCN(CCO)C(=O)c1ccncn1 1058502264 XKKFUYBFYXSWDG-UHFFFAOYSA-N 302.334 -0.559 30 20 DBED Cc1nnccc1C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N 1058652708 CMUZXBVLEGTQNQ-JTQLQIEISA-N 305.338 -0.505 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)CCN1CCCCC1 1058661485 XOQCJGNSGNSZAF-CQSZACIVSA-N 324.425 -0.041 30 20 DBED N#Cc1nc(=N[C@H]2C[C@H](NC(=O)CC3OCCCO3)C2)cc[nH]1 1059198762 BDKFEARFMXVXTN-XYPYZODXSA-N 317.349 -0.018 30 20 DBED C=CCOCC(=O)N1CC[C@@H](CCNC(=O)[C@H]2CCC(=O)N2)C1 1059335647 ZAWQJVFWWAUOCJ-CHWSQXEVSA-N 323.393 -0.178 30 20 DBED N#Cc1nccnc1NC[C@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 1060992199 PDDHPEFSCTYYCV-MXWKQRLJSA-N 314.349 -0.270 30 20 DBED C=CCCC(=O)N1CCOC[C@@H]1CNC(=O)[C@H]1CCNC(=O)C1 1061497773 WCAOMLVAHHBUKS-STQMWFEESA-N 323.393 -0.178 30 20 DBED N#Cc1nccnc1N1CC[C@H](CNC(=O)c2nccnc2N)C1 1061551862 WFIZCLBRDUUCCL-SNVBAGLBSA-N 324.348 -0.023 30 20 DBED O=C(C#CC1CC1)NC[C@H]1COCCN1C(=O)c1n[nH]cc1F 1061571474 AKFNOBZCCJIDFJ-NSHDSACASA-N 320.324 -0.081 30 20 DBED O=C(C#CC1CC1)NC[C@H]1COCCN1C(=O)Cn1nccn1 1061571894 JDZOUYIPXAGGJR-ZDUSSCGKSA-N 317.349 -0.965 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)c1csnn1 1061853439 STMABRGUMQWSDS-RKDXNWHRSA-N 309.351 -0.345 30 20 DBED C#CCCCC(=O)N1CCCC[C@@H]1CNC(=O)[C@H]1CNC(=O)N1 1062166762 WKURFYBYFBAOKP-CHWSQXEVSA-N 320.393 -0.031 30 20 DBED C=CCCC(=O)N1CCO[C@@H](CNC(=O)[C@H]2CCNC(=O)C2)C1 1064956268 UZLWRNVGEREDJO-STQMWFEESA-N 323.393 -0.178 30 20 DBED C=CCCC(=O)N1CCO[C@@H](CNC(=O)c2c[nH]c(=O)cn2)C1 1064957702 OQDIHSBZOXEICS-NSHDSACASA-N 320.349 -0.307 30 20 DBED C=CCOCC(=O)N1CCO[C@@H](CNC(=O)[C@@H](C)COC)C1 1064977833 XQTNXECJRQIPKM-STQMWFEESA-N 314.382 -0.185 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CN(C(=O)c2cncnc2)CCO1 1065072606 FDVQJEHENCSJCB-ZYHUDNBSSA-N 303.322 -0.407 30 20 DBED C[C@@]1(NC(=O)[C@H]2COC(=O)N2)CCN(c2ccnc(C#N)n2)C1 1065251162 RHRHZNDLRGSXJB-YMTOWFKASA-N 316.321 -0.458 30 20 DBED C=CCCOCC(=O)N1CCO[C@@H](CNC(=O)c2nc[nH]n2)C1 1065277665 AHVUSXRPIZNZAD-NSHDSACASA-N 323.353 -0.645 30 20 DBED C=CC(C)(C)C(=O)NC[C@H]1CN(C(=O)c2nnn(C)n2)CCO1 1065474601 FCWPFDBYNJTYID-JTQLQIEISA-N 322.369 -0.621 30 20 DBED CC1(C)CN(c2ccc(C#N)nn2)CC[C@H]1NC(=O)C(N)=O 1067336125 FUZOAJYUVIRSQV-SNVBAGLBSA-N 302.338 -0.445 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC2(CN(C(=O)CC(=O)N(C)C)C2)C1 1068452101 YWRYAENLUDQKSV-NSHDSACASA-N 322.365 -0.936 30 20 DBED CNC(=O)CC(=O)NC[C@@H]1CCC2(CN(C(=O)[C@H](C)C#N)C2)O1 1068562677 CHHONLUXJGOCQC-MNOVXSKESA-N 322.365 -0.842 30 20 DBED N#CCN1C[C@H]2C[C@H]3CN(C(=O)[C@@H]4[C@H]5COC[C@H]54)C[C@@]3(C1)O2 1070840169 RKUBQAFODVTGNH-PILDCZIXSA-N 303.362 -0.296 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CN(C(=O)CCCOC)C[C@H]1C 1071700972 ZSAQHCOZGDUOPQ-OLZOCXBDSA-N 323.393 -0.484 30 20 DBED C[C@@H](C(N)=O)N1CCCO[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1 1073574443 SAIVAOYFYWINDF-CMPLNLGQSA-N 319.365 -0.419 30 20 DBED Cn1c(C(=O)N2CC[C@H]3OCCN(CC#N)[C@H]3C2)cnc1O 1074311903 DXMKWWNBXVGJAR-NWDGAFQWSA-N 305.338 -0.435 30 20 DBED C[C@H](C#N)C(=O)N1CCC(O)(CNC(=O)c2ccnn2C)CC1 1074704821 IWLDWUZWJIUVPE-LLVKDONJSA-N 319.365 -0.337 30 20 DBED C[C@@H](CCNC(=O)CSCC#N)NC(=O)c1cnn(C)n1 1075676080 ZXXLZHWFYBXQKZ-VIFPVBQESA-N 310.383 -0.304 30 20 DBED CNC(=O)NCC(=O)N[C@@H](C)CCNC(=O)CSCC#N 1075679198 JUGJICIPCWHFMP-VIFPVBQESA-N 315.399 -0.817 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2OCCO[C@H]2C)C1 1077161240 PKUDDJCULQMQPV-QCNOEVLYSA-N 304.774 -0.296 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)c2cncc3ncn(C)c23)C1 1077166651 HNCPBSCBCWYUAS-ZIAGYGMSSA-N 313.361 -0.234 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCNC2=O)C1 1077174598 QHUDLDAIMSVRBD-HBNTYKKESA-N 301.774 -0.574 30 20 DBED C#CCN[C@H]1C[C@H]2CC[C@H]1N(C(=O)CN1CCC(=O)NC1=O)C2 1079081167 BMJBLELBMZXSFW-FRRDWIJNSA-N 318.377 -0.469 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N(CC)C(=O)CNC(N)=O)C1 1079283006 AALASXPOOZDCTF-NEPJUHHUSA-N 324.381 -0.695 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CO)(NC(=O)Cc2cnoc2)CC1 1080957246 AGHWJHUIFQHELR-NSHDSACASA-N 320.349 -0.154 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)c2cc[n+]([O-])cc2)C[C@@H]1O 1081333177 PEOPHJHEBKKVHV-KBPBESRZSA-N 319.361 -0.165 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)C(C)(F)F)C[C@@H]1O 1081344141 MRRJDBKCGVEGOH-UWVGGRQHSA-N 306.309 -0.220 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(C(=O)CC2(O)CCC2)C[C@H]1O 1081470670 DJZCUPSDHBQUIU-ZIAGYGMSSA-N 320.389 -0.360 30 20 DBED CO[C@@H]1CN([C@@H](C)C(N)=O)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 1081501036 ZQTCSJMSTDSWRL-XXILOJSOSA-N 305.338 -0.811 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1ccnc2[nH]cnc12 1081745629 PTAGLXLCXZTSOJ-GHMZBOCLSA-N 300.322 -0.090 30 20 DBED C=C(C)CN1C[C@@H](NC(=O)CN2CCOCC2=O)[C@H](OC)C1 1081802867 ICKGTWYTDLCARH-CHWSQXEVSA-N 311.382 -0.763 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@H]2CC(=O)N(C(C)C)C2)C1 1083504011 MBNCEQUWWFZAAQ-MJBXVCDLSA-N 307.394 -0.572 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCn3ccnc3C2)C1 1083583609 LJSRIWDVPOMIKV-MJBXVCDLSA-N 302.378 -0.370 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)CN2C(=O)Cc3ccccc32)C1 1083813448 LCEWAXHAEKFHEP-HIFRSBDPSA-N 313.357 -0.630 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)C[C@H]2CCCCN2C(C)=O)C1 1083854278 KNSVBCXZROJQIE-OAGGEKHMSA-N 321.421 -0.038 30 20 DBED Cn1cc([C@@H]2CN(C(=O)c3cnon3)C[C@H]2NCC#N)cn1 1087002700 LHKROFMIOMGSEB-CMPLNLGQSA-N 301.310 -0.476 30 20 DBED CC#CCN1CC[C@@H]2CN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C[C@@H]2C1 1088123227 JWOOABPUIJRFGD-AGIUHOORSA-N 318.377 -0.612 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)Cn3nc(C)n(C)c3=O)C[C@@H]2C1 1088187330 RAVYYPXPBOJGMV-KGLIPLIRSA-N 317.393 -0.696 30 20 DBED CN(C)C(=O)CN1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H](O)C1 1090180618 SVVCNDHCUDFFTK-AAEUAGOBSA-N 319.365 -0.860 30 20 DBED C=CCn1cccc1C(=O)N[C@H]1CCN(CC(N)=O)C[C@@H]1O 1090322862 LUAFNCOAMPWDMA-AAEUAGOBSA-N 306.366 -0.676 30 20 DBED N#CCN1CC[C@H](NC(=O)c2cn3cccnc3n2)[C@H](O)C1 1090384218 IVWIHUDIIKHVGU-CMPLNLGQSA-N 300.322 -0.582 30 20 DBED N#CCSCC(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@H]1O 1090394257 HUUGGDONDUDJEM-VXGBXAGGSA-N 317.374 -0.124 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(c2cc(C)nc(C)n2)C[C@@H]1O 1091149604 AAQSGZXZVDBJKA-KGLIPLIRSA-N 318.377 -0.201 30 20 DBED C#CCN1C[C@@H]2CN(C(=O)c3nnc(O)nc3O)C[C@]2(C)C1 1091823915 LGDSNPBDZAQVAS-OTYXRUKQSA-N 303.322 -0.690 30 20 DBED N#Cc1cnc(NCCNC(=O)[C@H]2CCc3nn[nH]c3C2)cn1 1093761159 SSXHIZQMPIDJMK-VIFPVBQESA-N 312.337 -0.200 30 20 DBED N#Cc1ccc(NCCNC(=O)[C@H]2CCNC(=O)CC2)nn1 1094024016 KRAYFURWWBKFDK-SNVBAGLBSA-N 302.338 -0.207 30 20 DBED C#CCN1CC(n2cc(CNC(=O)c3cc(C)nn3C)nn2)C1 1094279169 ZKGWJVNBZMOSLD-UHFFFAOYSA-N 313.365 -0.260 30 20 DBED N#CCN1CCN(C(=O)Cc2ccc[nH]2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094681982 IQZLLBLUGSWKMO-QWHCGFSZSA-N 322.390 -0.609 30 20 DBED N#CCN1CC(N2C[C@H](NC(=O)C3(F)CCOCC3)CC2=O)C1 1094743887 MZKJJALTLQWSLH-LLVKDONJSA-N 324.356 -0.570 30 20 DBED C=CCOCC(=O)NCCCN(C)c1ccc2nnnn2n1 1095492639 NQJOWCOVOACVQG-UHFFFAOYSA-N 305.342 -0.336 30 20 DBED CC1(C)NC(=O)N(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC#N)C1=O 1096482572 CKHRWDLPVPMAOR-VWYCJHECSA-N 319.365 -0.438 30 20 DBED N#Cc1nccnc1N[C@H](CNC(=O)CCNC(N)=O)C1CC1 1096668395 GFOSXZDDDDTKTC-LLVKDONJSA-N 317.353 -0.287 30 20 DBED CNC(=O)NCC(=O)NC[C@@H](Nc1cnc(C#N)cn1)C1CC1 1096837457 SIMZJANCWGVNJE-LLVKDONJSA-N 317.353 -0.416 30 20 DBED C=CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cn1cnc(C(N)=O)n1 1097104598 GBJGCIRZBLBMSF-MXWKQRLJSA-N 304.354 -0.716 30 20 DBED N#Cc1nccc(N2CCC[C@@H](CNC(=O)CNC(N)=O)C2)n1 1097286815 SBYNIBKQFFAUOW-JTQLQIEISA-N 317.353 -0.651 30 20 DBED C[C@H](CNC(=O)CCn1cncn1)N=c1cc[nH]c(C#N)n1 1097655665 RLWGRVUDWBQWKK-SNVBAGLBSA-N 300.326 -0.631 30 20 DBED C[C@H](CNC(=O)CCc1cnn[nH]1)N=c1cc[nH]c(C#N)n1 1098294727 ZRRKWQFDZBPSAZ-SECBINFHSA-N 300.326 -0.562 30 20 DBED Cn1cc(C(=O)N2CCC(N(CC#N)CCO)CC2)ncc1=O 1098435713 JPAUICWAXUWOEX-UHFFFAOYSA-N 319.365 -0.797 30 20 DBED C[C@H](CCNC(=O)Cn1cnnc1O)N=c1cc[nH]c(C#N)n1 1098990299 UVIRCQQHMHXYIN-SECBINFHSA-N 316.325 -0.926 30 20 DBED C[C@@H](CCNC(=O)Cn1ncnn1)Nc1cncc(C#N)n1 1099553843 SXWGVMPXQFQYAO-VIFPVBQESA-N 301.314 -0.658 30 20 DBED C#CCCCCC(=O)N[C@H]1CCN(CC(=O)NCC#N)C[C@@H]1O 1099786958 SCZMNDDFDJZRRV-KBPBESRZSA-N 320.393 -0.629 30 20 DBED C#CCCCCC(=O)N[C@@H]1CCN(CC(=O)NCC#C)C[C@@H]1O 1099786986 SOLKIIJZWSOFGC-CABCVRRESA-N 319.405 -0.519 30 20 DBED CC#CCN1CC[C@H](NC(=O)CCN2C(=O)CCC2=O)[C@H](O)C1 1099909753 XILHLVRWTUPCLR-QWHCGFSZSA-N 321.377 -0.900 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)C2(C)CC=CC2)[C@@H](O)C1 1099979611 XRLCPPZFJPNSHF-KGLIPLIRSA-N 319.405 -0.357 30 20 DBED CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NCCN(C)c1ccnc(C#N)n1 1100347659 ONRBDRFOLPGMLU-WDEREUQCSA-N 316.365 -0.375 30 20 DBED CN1CC[C@H](C(=O)NCCN(C)c2nccnc2C#N)CC1=O 1100398723 SQJHZYYCHBQQBO-NSHDSACASA-N 316.365 -0.231 30 20 DBED C=CCOCCNC1CC(CNC(=O)[C@H]2CN(C)C(=O)N2)C1 1100563668 REWFQALONVBJRT-WXRRBKDZSA-N 310.398 -0.303 30 20 DBED CCN(CCNC(=O)Cc1nc[nH]n1)c1cncc(C#N)n1 1100611606 IXMHODKBCVKKHM-UHFFFAOYSA-N 300.326 -0.348 30 20 DBED CCN(CCNC(=O)[C@H]1CN(C)C(=O)N1)c1ccncc1C#N 1100684181 KBRZYMNUBYLGPB-GFCCVEGCSA-N 316.365 -0.081 30 20 DBED Cc1cc(C(=O)NC[C@@H]2CN(CC(=O)NCC#N)C[C@H]2C)n[nH]1 1101768101 XTYCDIMXSDBOGT-ZYHUDNBSSA-N 318.381 -0.344 30 20 DBED CC[C@H](CNC(=O)c1cnn(C)n1)N=c1cc[nH]c(C#N)n1 1103131898 FHVMLWRFPZXYIV-SECBINFHSA-N 300.326 -0.481 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)CNc1cncc(C#N)n1 1104177363 SNNJWIFZJRJBEZ-KOLCDFICSA-N 317.353 -0.464 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CN(c2nccn3nnnc23)CCO1 1104301478 GCDJDBMCOIMLDO-UWVGGRQHSA-N 316.325 -1.000 30 20 DBED C=CCOCC(=O)N(C)[C@@H](C)CNc1nccn2nnnc12 1104496018 GOPPTAPTLAZNDI-JTQLQIEISA-N 305.342 -0.019 30 20 DBED C=CCNCC[C@@H]1CN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C[C@H]1C 1104736044 JEQWOSCDNYHPFQ-UTUOFQBUSA-N 308.382 -0.155 30 20 DBED C=CCNCc1cn(C2CN(C(=O)Cc3cnc[nH]3)C2)nn1 1105335226 VAOUQOZJXFLWSB-UHFFFAOYSA-N 301.354 -0.097 30 20 DBED C#CCNCc1cn(C2CN(C(=O)c3cn(CC)cn3)C2)nn1 1105360811 JTRXVUDASQHNGE-UHFFFAOYSA-N 313.365 -0.086 30 20 DBED CN(CCN(C)c1ccc(C#N)cn1)C(=O)[C@H]1C[C@H]1C(N)=O 1105560406 PPNOVMGDZQHAHL-NEPJUHHUSA-N 301.350 -0.031 30 20 DBED Cc1cc(C(=O)NC[C@H](O)CNc2cnc(C#N)cn2)nn1C 1105733139 JTGOESDFQXSQGD-LLVKDONJSA-N 315.337 -0.407 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)C[C@@H]2COC(=O)C2)nc1 1105819150 BHNKGMLSZIMCIX-RYUDHWBXSA-N 318.333 -0.205 30 20 DBED COCCC[C@@H](C)C(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1 1105965832 HOLICTDDORWAOF-NEPJUHHUSA-N 321.381 -0.278 30 20 DBED C=CCn1cc(C(=O)NC[C@@H](O)CNc2ncc(F)cn2)nn1 1106131906 MWVGHMJMMTWIRT-SNVBAGLBSA-N 321.316 -0.404 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)[C@@H]2CCC(=O)NC2)nc1 1106170387 RCGICYOEPOGGHA-VXGBXAGGSA-N 317.349 -0.632 30 20 DBED C#CCN1CC(n2cc(CNC(=O)CN3CCCC3)nn2)C1 1107235696 JCOMIEQVMBYAGC-UHFFFAOYSA-N 302.382 -0.520 30 20 DBED Cn1ccc(=O)c(C(=O)NC/C=C\CN=c2cc[nH]c(C#N)n2)c1 1107595072 UVRJDIAAZSEUEW-IHWYPQMZSA-N 324.344 -0.133 30 20 DBED C#CCNC(=O)CN1CCO[C@](C)(CNC(=O)c2cocn2)C1 1107812802 FZXQZJHTOIKVQV-OAHLLOKOSA-N 320.349 -0.755 30 20 DBED C[C@@H](C(=O)N[C@H](C)CNc1nccnc1C#N)N1CCOCC1 1107823440 CGFSAQPZAKGXGQ-NEPJUHHUSA-N 318.381 -0.014 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)[C@@]2(C)CCNC(=O)C2)C1 1108024541 MIMXBGGMYPWOBS-JKSUJKDBSA-N 307.394 -0.257 30 20 DBED CC#CCN1CCO[C@](C)(CNC(=O)[C@H]2COCCN2CC)C1 1108039329 BHAUYGLVCHEJTO-NVXWUHKLSA-N 323.437 -0.063 30 20 DBED C[C@@]1(CNC(=O)COC[C@H]2CCOC2)CN(CC#N)CCO1 1108253526 LPLPHNZMPQYVRG-DZGCQCFKSA-N 311.382 -0.230 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)C[C@@H]1CCC(=O)N1 1108448630 VKHHURWGMMFMTM-UWVGGRQHSA-N 302.338 -0.645 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)[C@@H]1CC(=O)N(C)C1 1108748393 QOWQCKXMGNLSKK-VHSXEESVSA-N 302.338 -0.835 30 20 DBED C[C@@H](CN(C)c1ccc(C#N)nn1)NC(=O)[C@@H]1CCNC(=O)C1 1108895472 WFPSEQGPNNORGK-WDEREUQCSA-N 316.365 -0.185 30 20 DBED C[C@H](CN(C)c1cnc(C#N)cn1)NC(=O)C(=O)NCC1CC1 1109060735 LMLBONQILMUQDZ-SNVBAGLBSA-N 316.365 -0.185 30 20 DBED C=C(C)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CNS(=O)(=O)NC 1109564065 DQAPLTMPOHTZOZ-WOPDTQHZSA-N 316.427 -0.662 30 20 DBED N#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CNC(=O)C1CCOCC1 1109860025 GIPXGHGGHQLCPT-RDBSUJKOSA-N 320.393 -0.226 30 20 DBED C[C@@H](CC(N)=O)C(=O)N[C@]1(C)CCN(c2cnc(C#N)cn2)C1 1110802464 OKAROVBZBZVZQF-ZUZCIYMTSA-N 316.365 -0.055 30 20 DBED CCOCCC(=O)NC[C@]1(O)CCN(c2cnc(C#N)cn2)C1 1111042320 SLWWYKMTCRANIF-OAHLLOKOSA-N 319.365 -0.168 30 20 DBED CC(=O)NCC(=O)N1C[C@@H]2CN(c3cncc(C#N)n3)C[C@@H]2C1 1111286389 JVUFAMMDMRKEEK-TXEJJXNPSA-N 314.349 -0.621 30 20 DBED CNC(=O)CC(=O)N(C)CCCN(C)c1cncc(C#N)n1 1112070595 XNFJEWHBKCDLLC-UHFFFAOYSA-N 304.354 -0.231 30 20 DBED CN(CCCN(C)c1cnc(C#N)cn1)C(=O)[C@@H]1CNC(=O)N1 1112168537 SVOHWUPEEQEYKV-NSHDSACASA-N 317.353 -0.686 30 20 DBED COCCC(=O)NC[C@H]1CN(c2nc(C)cc(C#N)n2)C[C@H]1O 1112689174 JMHMCPYOPWRFNK-WCQYABFASA-N 319.365 -0.394 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(CC(=O)NC[C@@H]2CCCO2)CC1 1112711820 TXBCBIWFDNFHSC-STQMWFEESA-N 308.382 -0.415 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)Cc2ccnn2C)CC1 1112799515 LOPCIYXZISLNGX-CYBMUJFWSA-N 319.409 -0.203 30 20 DBED C[C@@H](N=c1cc[nH]c(C#N)n1)[C@@H](C)NC(=O)c1cc(=O)n(C)o1 1113009744 OLXDKHZDURSDEJ-RKDXNWHRSA-N 316.321 -0.319 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)c3cnn(C)c3N)[C@H]2C1 1114158004 OIEDYUVUSVBYFU-ITGUQSILSA-N 303.366 -0.688 30 20 DBED C=CCOCCN1C[C@H]2[C@H](NC(=O)[C@@H]3CCCNC3=O)[C@H]2C1 1114433202 ILLTVQNWSGUVPI-MQYQWHSLSA-N 307.394 -0.238 30 20 DBED CCN(C)C(C)(C)C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1114487914 CQZYSSJJDGLRPI-IMRBUKKESA-N 321.425 -0.597 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3conc3C)[C@H]2C1 1114760995 DKRZJFWVYHQMLZ-YABSGUDNSA-N 302.334 -0.608 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)c3cn(CC)nn3)[C@@H]2C1 1115031478 YIASGZGPPAZXGS-GHMZBOCLSA-N 318.381 -0.740 30 20 DBED CCOC(=O)[C@@H](C)NC(=O)CCN/C(O)=C1\N=CC=CC1=O 1116063084 ZZMWFQYGAOGHAW-TWLKNAOBSA-N 309.322 -0.029 30 20 DBED C#CCCOC(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 1118869943 XWZYATXMNIPSHC-SNVBAGLBSA-N 302.352 -0.571 30 20 DBED Cc1ccoc1C(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1 1121054610 FITCMXSIKYHRBG-SNVBAGLBSA-N 301.306 -0.126 30 20 DBED CCc1cc(C(=O)NC[C@H](CO)Nc2nccnc2C#N)n[nH]1 1121135861 IRPYNBXSEYUNMM-SNVBAGLBSA-N 315.337 -0.163 30 20 DBED CNC(=O)NCCC(=O)NC[C@H](CO)Nc1ccc(C#N)nc1 1121439961 XZFATEKUCJUCMY-GFCCVEGCSA-N 320.353 -0.839 30 20 DBED CCNC(=O)CC(=O)NC[C@@H](CO)Nc1ncc(C#N)cc1F 1121464297 KVOLOVUCKDWVII-JTQLQIEISA-N 323.328 -0.492 30 20 DBED C[C@H]1[C@H](Nc2cncc(C#N)n2)CCN1C(=O)CNC(N)=O 1122928720 ACXSIORAMOMMKC-WCBMZHEXSA-N 303.326 -0.582 30 20 DBED CN(C[C@@H](O)CNc1nccnc1C#N)C(=O)Cc1ccon1 1124201185 UJEXWUCTHBMSQJ-NSHDSACASA-N 316.321 -0.190 30 20 DBED CN(C[C@H](O)CNc1cnc(C#N)cn1)C(=O)c1cnnn1C 1124272531 SWOCKCCTRCIKKS-SNVBAGLBSA-N 316.325 -0.978 30 20 DBED C=CCCC(=O)NCCNCC(=O)N1CCC[C@@H](NC(C)=O)C1 1124635930 DLUDHCFGTKRUBZ-CQSZACIVSA-N 324.425 -0.215 30 20 DBED C=CCCC(=O)NCCNCC(=O)NCCCN1CCCC1=O 1124646619 WMWKPOTWFFPUDV-UHFFFAOYSA-N 324.425 -0.213 30 20 DBED COCCN(CCNC(=O)CC(N)=O)c1cc(C)ncc1C#N 1126255496 WYTCXDJJXTYDDZ-UHFFFAOYSA-N 319.365 -0.294 30 20 DBED CCNC(=O)CN1CCn2ncc(CNC(=O)[C@@H](C)C#N)c2C1 1128265142 UXFTUWCGUKQAAV-NSHDSACASA-N 318.381 -0.389 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](NCCCO)[C@H](c2cn(C)cn2)C1 1130546624 LCIUDZBSYAGFCH-SGMGOOAPSA-N 305.382 -0.154 30 20 DBED CC#CCN1CCOC[C@H]1c1n[nH]c(CNC(=O)[C@H](C)OC)n1 1130832598 YYCDIRZPSGRGAL-RYUDHWBXSA-N 321.381 -0.148 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)[C@H]1C[C@@H](C)CO1 1131536993 SPMNAODCXAUYIL-CHWSQXEVSA-N 310.398 -0.121 30 20 DBED C=CCn1cc(C(=O)NCCNCc2ncnn2CC)nn1 1134980713 JUFUCAUIJWIBLV-UHFFFAOYSA-N 304.358 -0.405 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)Cc1cnc[nH]1 1135552625 IOWZIFPLWMZTSE-RYUDHWBXSA-N 305.382 -0.426 30 20 DBED C#CCN1CCC(C(=O)N[C@H](C)C[C@H](C)NCC(=O)NC)CC1 1146569642 BORHIYDACDQXFR-UONOGXRCSA-N 322.453 -0.050 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)c1cnn(C)c1)C2 1146965897 OIQBKIXANGBLNK-UHFFFAOYSA-N 315.377 -0.683 30 20 DBED COCC#CCNCCNC(=O)c1cn([C@H]2CCOC2)nn1 1147016775 WVXTVSVILACQDR-LBPRGKRZSA-N 307.354 -0.791 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@H]1CN(CC(=O)NC)CCCO1 1149623932 PIEBETLFBRAGNL-WFASDCNBSA-N 313.398 -0.733 30 20 DBED C#CCCN1CCCO[C@H](CNC(=O)[C@@H](C)S(C)(=O)=O)C1 1149904705 VPBHKMQEKFEBNR-CHWSQXEVSA-N 316.423 -0.350 30 20 DBED C#CCCN1CCCO[C@H](CNC(=O)C(=O)NCC(F)F)C1 1149931241 YXGQMBVTZNGENU-LLVKDONJSA-N 317.336 -0.402 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)C(=O)N2CC[C@H](C)C2)C1 1150571876 KRUPOSFJEUAEAC-KBPBESRZSA-N 307.394 -0.305 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cc(-c2ccoc2)[nH]n1 1151107617 XUJQIXIYTRFZTO-UHFFFAOYSA-N 315.333 -0.262 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)Cn1cccn1 1151870475 MUOVBZVFRPQUHX-CYBMUJFWSA-N 305.382 -0.541 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)CCc1cnn(C)c1 1152215205 INLRXYSFOXMQBW-GFCCVEGCSA-N 307.398 -0.251 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)c1ccc(C(N)=O)cn1 1153388140 ZRRPGOMWNDJAOK-JTQLQIEISA-N 319.365 -0.809 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cccnc1OC(C)C 1153920531 BOLDTIMBFKZQCE-UHFFFAOYSA-N 318.377 -0.062 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)CCc1nc[nH]n1 1156349426 LBOUTMFDYXAIIY-NSHDSACASA-N 308.386 -0.476 30 20 DBED C#CCCCC(=O)NCCCNCC(=O)NC(=O)NC1CC1 1157164309 HBLIUHRGKSSVKZ-UHFFFAOYSA-N 308.382 -0.126 30 20 DBED C=CCN(CC=C)C(=O)CNCCCNC(=O)c1ncn(C)n1 1157493891 PYWFHOGUBCBIOL-UHFFFAOYSA-N 320.397 -0.275 30 20 DBED CC#CCN(C)C[C@H]1CCCCN1C(=O)CN1CC(=O)NC1=O 1158611237 CBXDZKIFMOKZRG-CYBMUJFWSA-N 320.393 -0.126 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1ncccc1OC 1174588261 XVOKEIQJYBTLSM-UHFFFAOYSA-N 304.350 -0.451 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)[C@@H]1CCC(=O)N(C)C1 1177025137 BVDKUTQBXBBHFL-QWHCGFSZSA-N 324.425 -0.359 30 20 DBED C[C@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)c1ncccn1 1179752187 SGHZJMZQBWLAJG-QWRGUYRKSA-N 302.338 -0.691 30 20 DBED C=CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)[C@H]1C 1179963619 RAVYBWVBZJPAOI-CYDGBPFRSA-N 322.409 -0.465 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2nccnc2N)C1 1181717041 ZHXYWVUQPZGWDL-GHMZBOCLSA-N 316.365 -0.999 30 20 DBED CCS(=O)(=O)NCCN[C@@H]1CCN(C(=O)C#CC2CC2)C1 1182415065 UPUDBQGFHLOZFR-CYBMUJFWSA-N 313.423 -0.470 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2cccnn2)C1 1186510995 BWFYTKRIZFXYLB-NWDGAFQWSA-N 303.366 -0.029 30 20 DBED C#CCNC[C@H]1CN(C(=O)CCNC(N)=O)CC12CCOCC2 1186551940 AOPPCYHGJGPHDQ-ZDUSSCGKSA-N 322.409 -0.477 30 20 DBED N#CCNC(=O)CN1C[C@@H]2CCN(C(=O)[C@@]3(F)CCOC3)[C@@H]2C1 1188926339 NUGMSQOCHUWQEH-YWPYICTPSA-N 324.356 -0.713 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](N(C)Cc2csnn2)C1 1189759619 AOGVPIPUOPDBCY-GFCCVEGCSA-N 321.406 -0.290 30 20 DBED CC(C)C#CC(=O)N1CC[C@H](N(C)CCN2C(=O)CNC2=O)C1 1190052985 BRCGBVAVZCRLDB-ZDUSSCGKSA-N 320.393 -0.270 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@H]1CCN(C(=O)c2cnco2)C1 1191617306 MGBHLHUPDICPMW-RYUDHWBXSA-N 304.350 -0.041 30 20 DBED CN(CC(=O)NCC#N)[C@@H]1CCN(C(=O)Cc2cnc[nH]2)C1 1192551851 UQAVLRIJBUKYKR-GFCCVEGCSA-N 304.354 -0.875 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)Cc2ncc[nH]2)C1 1193048194 LKGFXQLBMOZKHF-GFCCVEGCSA-N 303.366 -0.766 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)c2cncnc2)CC1 1195555577 GMMDVWQTHHYWPQ-UHFFFAOYSA-N 303.366 -0.073 30 20 DBED N#CCNC(=O)CN1CCCN(C(=O)CN2CCCC2)CC1 1198105156 AQAMZRMXVIXSNC-UHFFFAOYSA-N 307.398 -0.744 30 20 DBED C#CCOCCC(=O)N1CCCO[C@@H](CNCC#CCOC)C1 1200501662 RLAJOGLCOHCARN-INIZCTEOSA-N 322.405 -0.117 30 20 DBED C#CCNC[C@H]1CN(C(=O)C[C@@H]2CCC(=O)NC2)CCCO1 1200673070 KQIWIAAYZFRUHD-KBPBESRZSA-N 307.394 -0.257 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)[C@@H]2COCCN2CC)CCCO1 1200860037 RYROJJPCZAAGFJ-CVEARBPZSA-N 323.437 -0.063 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)C2(N(C)C)CCC2)CC1 1201038025 SENLBKGHTYGZJK-UHFFFAOYSA-N 320.437 -0.199 30 20 DBED N#CCNC[C@H]1CN(C(=O)[C@@H]2CCCCN2C(N)=O)CCCO1 1201823126 GKTYWHVLZKOXOR-STQMWFEESA-N 323.397 -0.350 30 20 DBED C#CCNC(=O)CN[C@@H]1C[C@H](NC(=O)CC(C)(C)O)C12CCC2 1202836118 WVCJLMKNRNRVRH-OLZOCXBDSA-N 321.421 -0.086 30 20 DBED C=CCCNC1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)CC1 1203725779 PJFFRMNLDVLNED-GFCCVEGCSA-N 301.412 -0.165 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC(CNCC(=O)N(C)C)CC1 1205264184 BLEUEXDDZNKAOJ-CYBMUJFWSA-N 309.410 -0.059 30 20 DBED CC(=O)N1CC2(CCN(CC(=O)NCC#N)CC2)[C@H]2COC[C@H]21 1205462539 PGVUQTKELRMSDF-UONOGXRCSA-N 320.393 -0.415 30 20 DBED Cc1ncc(C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@H]2C)[nH]1 1206552511 UCZUNVGAJGQJFP-BXKDBHETSA-N 304.354 -0.592 30 20 DBED C=CCNCC1CCN(C(=O)Cn2nc(C)n(C)c2=O)CC1 1206905933 VIAASRHTTRMOGX-UHFFFAOYSA-N 307.398 -0.096 30 20 DBED COCC#CCN1C[C@@H](NC(=O)[C@@H]2CC(=O)N(C)C2)[C@H](C)C1 1207273721 FRYCSWZQOIIRIH-MGPQQGTHSA-N 307.394 -0.449 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)CCc1cnc[nH]1 1207443947 HQKGPOWMYWKGDN-DGCLKSJQSA-N 318.381 -0.581 30 20 DBED COCC#CCN[C@H]1CCCN(C(=O)[C@H]2CN(C)CCO2)C1 1207733905 AQCDIYLTUJCPQF-LSDHHAIUSA-N 309.410 -0.453 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)CCc2nc[nH]n2)C1 1207764327 NEVNYMDJKIMQDG-LBPRGKRZSA-N 320.397 -0.380 30 20 DBED C#CCCN[C@@H]1CCCN(C(=O)CCc2nnc(O)nc2O)C1 1208486050 BFCHSLRVJMBHON-LLVKDONJSA-N 319.365 -0.181 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)c2cnn[nH]2)C1 1208486232 GTSLZLOELVIVHT-GHMZBOCLSA-N 304.354 -0.863 30 20 DBED C#CCN[C@@H]1CCCN(C(=O)[C@H](Cc2cnc[nH]2)NC(C)=O)C1 1209419091 INXTVSQVEZNOMU-HIFRSBDPSA-N 317.393 -0.329 30 20 DBED C=CCCC(=O)N1CCO[C@@H]2CN(CC(=O)NC(=O)NC)C[C@@H]21 1217475473 AKKALEMBZQKMIE-NWDGAFQWSA-N 324.381 -0.680 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)CCCOC)C1 1219264717 QBOQVJUFALDBLD-XQQFMLRXSA-N 313.398 -0.735 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1220033633 GEXLIRZWMXPGPM-QKMYFLCJSA-N 322.405 -0.226 30 20 DBED C=CCCC1(C(=O)N[C@@H]2CN(C[C@H](O)COC)C[C@@H]2O)CC1 1220290421 YOXWHWQMBIXSFD-MJBXVCDLSA-N 312.410 -0.099 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)c2cnn3cc[nH]c23)C1 1220847972 BWRPSOZJZSKBRD-OLZOCXBDSA-N 319.365 -0.360 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@@H]2CN(C(=O)c3nc[nH]n3)[C@@H]2C1 1221879450 DXDAQQUOJVBNHT-QJPTWQEYSA-N 316.365 -0.911 30 20 DBED N#CCNC(=O)CN1CCC(CNC(=O)C2=CCOCC2)CC1 1222921787 ZRTSNHJVEOXOCX-UHFFFAOYSA-N 320.393 -0.199 30 20 DBED C=CCN1CCC(CNC(=O)CCNS(C)(=O)=O)CC1 1223374999 WYQPRSGAVGISDP-UHFFFAOYSA-N 303.428 -0.060 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCCC[C@H]1N[C@@H](C)C(=O)NC 1225789119 OGNBUPIVIPXFGT-YNEHKIRRSA-N 322.409 -0.723 30 20 DBED C#CCN[C@@H]1CCCC[C@H]1NC(=O)CCn1cc[nH]c(=O)c1=O 1229150115 FDEPPIUNPIHUEB-CHWSQXEVSA-N 318.377 -0.423 30 20 DBED Cc1c[nH]nc1C(=O)N(C)C[C@H]1CCN1CC(=O)NCC#N 1234111254 IXOKNMJYYJWLHB-LLVKDONJSA-N 304.354 -0.496 30 20 DBED C=CCCOCCNC(=O)C(=O)NCC1(S(C)(=O)=O)CC1 1261135246 SZLHYHBWKQKBAZ-UHFFFAOYSA-N 318.395 -0.611 30 20 DBED N#C[C@H]1CC[C@@H](NC(=O)NCCOCCS(N)(=O)=O)C1 1261648932 VWJISNHUFWXUFK-VHSXEESVSA-N 304.372 -0.717 30 20 DBED COCCNC(=O)[C@@H](C#N)C(=O)COCc1nnc(C)s1 1263294275 QQFFEWQBULYALU-VIFPVBQESA-N 312.351 -0.165 30 20 DBED C[C@@H](CO)N(C[C@@H](C)O)C(=O)C(=O)Nc1ccn(CCC#N)n1 1320935379 ARHZQXIYJLHKEF-WDEREUQCSA-N 323.353 -0.675 30 20 DBED CC[C@@H](C)NC(=O)CCNC(=O)C(=O)N1CCO[C@H](C#N)C1 1321985988 UARVJVWNIHBJPI-GHMZBOCLSA-N 310.354 -0.842 30 20 DBED C#CCNC(=O)COC(=O)[C@H](C)S(=O)(=O)C1CCOCC1 1322668904 WQDHRQXHIUUVGB-JTQLQIEISA-N 317.363 -0.739 30 20 DBED CS(=O)(=O)CCCNC(=O)C(=O)N1CC[C@@](F)(C#N)C1 1323410357 YGAOQCZZBZJFGL-LLVKDONJSA-N 305.331 -0.999 30 20 DBED C[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccc(OCC#N)cc1 1324342248 ILANCNFNUQSKEB-JTQLQIEISA-N 316.317 -0.126 30 20 DBED COC(=O)N1CCN(C(=O)C(=O)N2CC[C@](F)(C#N)C2)CC1 1324837880 NAHMNGLYBCWBIU-ZDUSSCGKSA-N 312.301 -0.639 30 20 DBED COC(=O)c1ccsc1NC(=O)C(=O)NCC(=O)NCC#N 1324972840 BKRVXSGTMORPEW-UHFFFAOYSA-N 324.318 -0.771 30 20 DBED N#CCN1CCC(NC(=O)C(=O)N2CC[C@@]3(CCOC3)C2)CC1 1326505052 DLBUBNFFCRFBLV-MRXNPFEDSA-N 320.393 -0.270 30 20 DBED CN(C)C(=O)OCCNC(=O)C(=O)Nc1ccn(CCC#N)n1 1327671694 VMOPSIGYHODGFL-UHFFFAOYSA-N 322.325 -0.450 30 20 DBED CN1CCC(NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1 1327832765 OFIOXDNXQNXTFT-BUHFOSPRSA-N 321.381 -0.094 30 20 DBED CNC[C@@H](C)NC(=O)C(=O)NCc1ccc(OCC#N)cc1 1327835429 SDDNLPSHTVFXLB-LLVKDONJSA-N 304.350 -0.071 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N1CCN(C(=O)C2CC2)CC1 1329618108 HFOXKTDOYDUVKS-LBPRGKRZSA-N 309.366 -0.616 30 20 DBED C#CCO[C@@H](C)C(=O)NS(=O)(=O)C1CCN(C(C)=O)CC1 1333525238 WWWZSUOTXGYHHH-JTQLQIEISA-N 316.379 -0.518 30 20 DBED C#CCSCCNC(=O)C(=O)N1CC[C@@H](C(=O)OCC)C1 1335804251 VEUJHVCTMZRSAJ-LLVKDONJSA-N 312.391 -0.119 30 20 DBED C=CCN(CCOC)c1nnc(Cn2cc(CCO)nn2)n1C 1339314064 DEWQHVRPBVXOPI-UHFFFAOYSA-N 321.385 -0.372 30 20 DBED CC(C)CN1CCC(NC(=O)C(=O)N2CCO[C@H](C#N)C2)CC1 1340321822 DQJULLWFSUDFSQ-CQSZACIVSA-N 322.409 -0.026 30 20 DBED C#CCn1ccc(CN(CC)C(=O)CN2CCC(=O)NC2=O)n1 1344089182 DGEPHSORHHLVAW-UHFFFAOYSA-N 317.349 -0.193 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)NCc1nc(C(N)=O)cs1 1347586111 JSYWENBISKEZDW-ZETCQYMHSA-N 312.351 -0.825 30 20 DBED Cc1nc(C#N)c(N2CCC(C(=O)NC[C@@H](O)CO)CC2)o1 1364392391 ZWBOEASRISWQDH-LLVKDONJSA-N 308.338 -0.460 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@@H](C)c1nnnn1C 1364992011 UCHZZDUXEBSFAO-IUCAKERBSA-N 301.376 -0.413 30 20 DBED N#C[C@H]1CN(C(=O)NCC2CCS(=O)(=O)CC2)CCO1 1365365650 ZZRCUSCMXCDNGV-NSHDSACASA-N 301.368 -0.255 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(Cc2ccc(C(N)=O)cc2)C1 1376143049 QVJGHCNZMJHXIK-LLVKDONJSA-N 316.361 -0.392 30 20 DBED C[C@H](CNC(=O)c1c[nH]c(C#N)c1)NC(=O)c1cn(C)nn1 1376906356 JEITZAPUTHEDID-MRVPVSSYSA-N 301.310 -0.437 30 20 DBED CCN(CCC#N)C(=O)CN1CC(NC(=O)[C@H](OC)C2CC2)C1 1377892023 QFVISTKCOLAJIT-OAHLLOKOSA-N 322.409 -0.026 30 20 DBED COCCN(CCNC(=O)[C@H](C)C#N)[C@@H](C)c1nnnn1C 1380106987 VNXMEXJWKTWGRF-MNOVXSKESA-N 309.374 -0.505 30 20 DBED C[C@H](C#N)C(=O)NC1CCN(C(=O)[C@H]2CCC(=O)N2C)CC1 1385451457 ROVMENRVEOMQJB-ZYHUDNBSSA-N 306.366 -0.126 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1cc2ncccn2n1 1389119464 FNQZRPYXPQLROB-VHSXEESVSA-N 316.321 -0.904 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CN(CCCS(C)(=O)=O)C[C@@H]2C1 1393410302 BTHAALCYFZPJQB-UPJWGTAASA-N 313.423 -0.029 30 20 DBED C[C@H](C(=O)NCC1(OCCO)CCOCC1)n1cnc(C#N)n1 1412045800 XGBGFVLRAYWAMV-LLVKDONJSA-N 323.353 -0.615 30 20 DBED N#CCc1ccccc1CC(=O)N1C[C@@H](C(N)=O)[C@H](C(N)=O)C1 1412399508 LDVFRZZFRQECGE-CHWSQXEVSA-N 314.345 -0.660 30 20 DBED CCN1CCO[C@H](C(=O)N2CCC(NC(=O)[C@@H](C)C#N)CC2)C1 1414663366 IGLZBBOOKBNJCY-JSGCOSHPSA-N 322.409 -0.026 30 20 DBED C[C@H](C#N)C(=O)NCC1CCN(C(=O)CCNC(N)=O)CC1 1427608145 JXDGGLQUPQSVIK-SNVBAGLBSA-N 309.370 -0.441 30 20 DBED C[C@H](C#N)C(=O)N1CCC2(CN(C(=O)CCCC(N)=O)C2)C1 1428594209 MBDJFPSQJXTQCO-LLVKDONJSA-N 306.366 -0.137 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1C[C@@H](NC(=O)c2cc(=O)n(C)cn2)C1 1429122181 YYIUQUSNQRBTKI-MXWKQRLJSA-N 317.349 -0.435 30 20 DBED C[C@H](C#N)C(=O)N1CC(CNC(=O)[C@@H](C)S(C)(=O)=O)C1 1430406718 XAEKOVHNBBAACQ-RKDXNWHRSA-N 301.368 -0.846 30 20 DBED CCN(CCNC(=O)[C@@H](C)C#N)C(=O)[C@@H]1CCCS1(=O)=O 1431686738 DCTIUBQJHJUKIL-QWRGUYRKSA-N 315.395 -0.312 30 20 DBED CCS(=O)(=O)CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)C#N 1432503757 XHUMUGBMBVZYBM-DCAQKATOSA-N 313.379 -0.608 30 20 DBED Cc1nc(CC(=O)N2CC[C@H](N(C)C(=O)[C@H](C)C#N)C2)n[nH]1 1453650033 ACPFZAOPXLKLEY-KOLCDFICSA-N 304.354 -0.125 30 20 DBED C[C@H](C#N)C(=O)N(C)CCN1CCN(C(=O)c2cn[nH]c2)CC1 1456074399 UYDLLGSRLXWUEM-GFCCVEGCSA-N 318.381 -0.214 30 20 DBED CC[C@H](O)[C@H]1CCCCN1C(=O)Cn1cc(C#N)c(O)nc1=O 1469615019 HTQVPUPEXDFYFM-NEPJUHHUSA-N 320.349 -0.027 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H](C)CNC(=O)c1cc(=O)n(C)cn1 1486910211 WTMZYZJVSNPOFE-VHSXEESVSA-N 305.338 -0.483 30 20 DBED Cn1cccc1C(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1 1515068540 WWUDPXFRDVAWCN-JTQLQIEISA-N 309.347 -0.395 30 20 DBED C[C@@H](C#N)C(=O)NC1CCN(C(=O)[C@@H]2CCCN2C(N)=O)CC1 1523227210 QVNZOUMWFVHRGM-JQWIXIFHSA-N 321.381 -0.204 30 20 DBED C=CCNC(=O)[C@@H](C)NC[C@@H](C)N(C)C(=O)CNC(=O)O 1573369043 WBPJMBAIUSDXDC-NXEZZACHSA-N 300.359 -0.619 30 20 DBED C=CCCC[C@@H](N)C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)OC 1574902607 DEMBFRQGTQMQHH-GHMZBOCLSA-N 318.395 -0.531 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@@H](N)C(C)(C)C2)C1=O 1574936082 RFMNKMCMDBMCPL-SECBINFHSA-N 308.338 -0.841 30 20 DBED CN(c1cnc(-c2nn[nH]n2)c(C#N)n1)C1CCS(=O)CC1 1579283819 DWKVZVAEMBQBRD-UHFFFAOYSA-N 318.366 -0.124 30 20 DBED C#CCNC(=O)C1CCN(c2cc(-c3nn[nH]n3)ncn2)CC1 1588353613 YRDRONPXWROUJL-UHFFFAOYSA-N 312.337 -0.378 30 20 DBED C#CCCN1CC(n2cc(CNC(=O)[C@H]3C[C@@H]3C(=O)O)nn2)C1 1588447800 QJOIDGOFIYERSU-STQMWFEESA-N 317.349 -0.505 30 20 DBED C=C(C)C[C@@H](CO)NC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O 1588536922 VUUHOKZTNTZNDZ-GUBZILKMSA-N 301.343 -0.410 30 20 DBED CS(=O)(=O)CCCCNc1cnc(-c2nn[nH]n2)c(C#N)n1 1591674769 VEDJXJPLAWBUOT-UHFFFAOYSA-N 322.354 -0.235 30 20 DBED O=C(NCC#CCO)c1ccn(-c2cccc(-c3nn[nH]n3)c2)n1 1593005357 UJGAOCNUESYVGP-UHFFFAOYSA-N 323.316 -0.222 30 20 DBED C#C[C@H]1CCCN(C(=O)C(=O)N2CC[C@](OC)(C(=O)O)C2)C1 1602677344 USVZUDULGMOBOV-XHDPSFHLSA-N 308.334 -0.440 30 20 DBED C#CCNC(=O)CN1CCC(N2C[C@@H](C(=O)O)CC2=O)CC1 1602701871 AJPMINMQDHTPMU-NSHDSACASA-N 307.350 -0.867 30 20 DBED N#Cc1c(-c2nn[nH]n2)ncn1CC(=O)NCc1ccccn1 1606356328 OYJNGPARGFBSBX-UHFFFAOYSA-N 309.293 -0.354 30 20 DBED N#C[C@@H]1CSCCN1C(=O)CN1CCC[C@H](C(=O)O)C1=O 1608178879 CTNRMDRJCFSCIO-ZJUUUORDSA-N 311.363 -0.223 30 20 DBED N#Cc1ccc(C(=O)N2CC(CNC(=O)[C@@H]3C[C@@H]3C(=O)O)C2)[nH]1 1608198899 IROVJAPSOPKTBZ-MNOVXSKESA-N 316.317 -0.205 30 20 DBED N#Cc1cc(S(N)(=O)=O)ccc1N1CC[C@H](CC(N)=O)C1 1647193864 HZWFPOSNRKDUGW-SECBINFHSA-N 308.363 -0.093 30 20 DBED CNS(=O)(=O)N1CCN(c2ccc(C#N)cc2CO)CC1 1647627909 FADHTBOHYQZKQD-UHFFFAOYSA-N 310.379 -0.363 30 20 DBED C#Cc1ccc(C(=O)NCCCN(C)CC(=O)NCC#N)cn1 1752098672 ZQSYDMNJGWGQBS-UHFFFAOYSA-N 313.361 -0.246 30 20 DBED C#CCN[C@H](C)[C@@H]1CCCCN1C(=O)Cn1c(O)nnc1O 1752153947 APQICEULEAPMTR-MNOVXSKESA-N 307.354 -0.318 30 20 DBED C#CCCN1CCN(CCCNC(=O)c2cn(C)c(O)n2)CC1 1752352909 TXZWPLQBIRBDJF-UHFFFAOYSA-N 319.409 -0.114 30 20 DBED Cc1c(C(=O)N[C@H]2C[C@@H](NCC(=O)NCC#N)C2)cnn1C 1752712355 GTGMBULULHJVQI-PHIMTYICSA-N 304.354 -0.781 30 20 DBED C=CCNC(=O)CNC[C@H]1CCN(C(=O)CN2CCOCC2)C1 1752933202 BHURZOLGSWDDMK-CQSZACIVSA-N 324.425 -0.941 30 20 DBED C#CCNC(=O)CN[C@H](C)CCNC(=O)Cn1ccccc1=O 1753019826 QCHAIIZAEPHVOG-CYBMUJFWSA-N 318.377 -0.918 30 20 DBED CC#CCN(CC)CCNC(=O)c1cn(CC(=O)N(C)C)nn1 1753095410 WWPOAOFDFBZNCI-UHFFFAOYSA-N 320.397 -0.559 30 20 DBED C#CCNC(=O)CN1CC[C@H](CCNC(=O)[C@@]23COC[C@@H]2C3)C1 1753328451 TVAYDHPYESOVTF-ZQIUZPCESA-N 319.405 -0.400 30 20 DBED C=CCNC(=O)NC(=O)CN1CC(NC(=O)C#CC(C)C)C1 1753376050 FJGGXQVSDRJQKK-UHFFFAOYSA-N 306.366 -0.542 30 20 DBED C#CCNC(=O)CN[C@H]1CC[C@H](NC(=O)c2cnnn2C)CC1 1753580971 YYHRBLDGBNEVQT-HAQNSBGRSA-N 318.381 -0.805 30 20 DBED C[C@H](CNCC(=O)NCC#N)N(C)C(=O)CCc1ncccn1 1753718685 OPSBFSWYTFXSCK-GFCCVEGCSA-N 318.381 -0.515 30 20 DBED C#CCN1CC[C@H]2CN(C(=O)CCNS(C)(=O)=O)CC[C@H]21 1753871268 CTBMZDWFEHROQL-QWHCGFSZSA-N 313.423 -0.518 30 20 DBED CC(C)n1ncnc1CNC[C@H](O)CNC(=O)C#CC1CC1 1753911490 RNPYXNZCZPOEMQ-ZDUSSCGKSA-N 305.382 -0.161 30 20 DBED COCC#CCNC/C=C/CNC(=O)C[C@@H]1CCC(=O)NC1 1754128145 CDUOLGCGDIMGNT-HSWBROFVSA-N 307.394 -0.186 30 20 DBED C=CCN1CC[C@@H](NC[C@@H](C)NC(=O)c2cn(C)nn2)C1=O 1754224671 TVWHJIHFJLJYCU-GHMZBOCLSA-N 306.370 -0.690 30 20 DBED C#CCNC(=O)CNC[C@@H]1CCCN1C(=O)Cc1cc[nH]n1 1754607114 QHNRKSCQIYOOIH-ZDUSSCGKSA-N 303.366 -0.718 30 20 DBED C#CCNC(=O)CN1CC(O)(CNC(=O)c2ccc(Cl)[nH]2)C1 1754773459 PRGMUDMVIJWNLD-UHFFFAOYSA-N 324.768 -0.806 30 20 DBED C#CCCCCC(=O)NCC1(O)CN(CC(=O)N(C)C2CC2)C1 1754776175 YTGXJBLPLKOUMJ-UHFFFAOYSA-N 321.421 -0.036 30 20 DBED N#CCNCCN(CCO)C(=O)[C@@H]1CNC(=O)c2ccccc21 1754884031 RKDFHARSOSQGSP-CQSZACIVSA-N 316.361 -0.552 30 20 DBED C#CCNC(=O)CN1CCOC[C@@H]1CNC(=O)/C=C(\C)CC 1754964699 DSBTWWCXRVKOBH-SSUFTNFISA-N 307.394 -0.091 30 20 DBED C#CCCN1CC[C@H](NC(=O)CS(=O)(=O)NC)C[C@@H]1C 1755165152 GFOMQPVKUOZZMU-RYUDHWBXSA-N 301.412 -0.472 30 20 DBED C=CCCCN1CCC(CO)(NC(=O)c2nnn(C)n2)CC1 1755179630 ILZXGVKCULMMEC-UHFFFAOYSA-N 308.386 -0.267 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)CC(C)(C)CNCC(N)=O 1755282383 PVDJQVYIHPFMGY-ZDUSSCGKSA-N 308.426 -0.357 30 20 DBED C#CCN[C@H](C)[C@@H]1CN(C(=O)c2ccn3nnnc3c2)CCO1 1755446149 RRMXVJFIQKHDNG-YPMHNXCESA-N 314.349 -0.423 30 20 DBED C#CCNC(=O)CN[C@@H]1C[C@@H](C)N(C(=O)c2c[nH]c(C#N)c2)C1 1755674911 NLPNODPINTYMKT-BXUZGUMPSA-N 313.361 -0.172 30 20 DBED C#CCNC(=O)CN1CCC[C@@H](NC(=O)c2cnn(C)c2)[C@@H]1C 1755711371 FVTBHQVWMYJHLK-GXTWGEPZSA-N 317.393 -0.248 30 20 DBED CC#CCNC[C@@H]1CC[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1 1755742174 QHNQFEVVRLQUKY-YPMHNXCESA-N 305.378 -0.063 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C[C@H](O)CNCc1cncn1C 1755779701 OOPWZOPVYUDWAV-GXTWGEPZSA-N 308.382 -0.633 30 20 DBED C#Cc1ccc(C(=O)N(C)C[C@@H](C)NC(=O)CNC(C)=O)nc1 1756478010 DSOAYCWMHVEHOZ-LLVKDONJSA-N 316.361 -0.224 30 20 DBED CC(C)C#CC(=O)NC[C@H](CO)NC(=O)[C@H]1CN2CCC1CC2 1756517648 LZZLGYZKIINUOT-CABCVRRESA-N 321.421 -0.419 30 20 DBED C#CCCCCCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnn[nH]2)C1 1757019019 DLOLYNLNWMQBAG-CHWSQXEVSA-N 319.365 -0.310 30 20 DBED C=CCCOCC(=O)N1C[C@H](O)[C@H](NC(=O)[C@@H](CC)OC)C1 1757160636 YVGZDTUGPBZMEH-FRRDWIJNSA-N 314.382 -0.308 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CN(C(=O)c2cc(F)c[nH]2)C[C@@H]1O 1757171936 NVNWWJODPAEKAL-OLZOCXBDSA-N 305.309 -0.131 30 20 DBED CC[C@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)S)C2)C1 1783889023 OSEWSIZLDUJTTQ-COPLHBTASA-N 316.423 -0.095 30 20 DBED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN(C)C(C)C)[C@H]2C1 1791791042 KINRQLZDWGTZPR-KKUMJFAQSA-N 321.421 -0.061 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)C(C)=O 1793219707 KWPZNJYGLLBGQQ-DABQJJPHSA-N 306.362 -0.176 30 20 DBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(F)CC1 1800362418 QCPYBCNQQPIPBM-DDFAGTSDSA-N 324.308 -0.834 30 20 DBED C=CCNC(=O)CN1CCN([C@@H](C)C(=O)N2CCCC2)CC1 53423395 OXRMRHLBAYABFZ-AWEZNQCLSA-N 308.426 -0.083 30 20 DBED CC[C@@](C)(NCC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)C(N)=O 91623998 SMBPUAHVLZXCBF-XJKSGUPXSA-N 323.441 -0.078 30 20 DBED C=CCCN1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 172621651 CFXNRVKFJANPKP-LBPRGKRZSA-N 322.452 -0.303 30 20 DBED Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)N1CCOC[C@@H]1C#N 175882434 KEGWBHRHXJRITP-NSHDSACASA-N 315.333 -0.067 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(Cc2ncnn2CC)c1=O 195429899 OPWRIMWFZFPVBH-UHFFFAOYSA-N 318.337 -0.797 30 20 DBED CN/C(=N/CC1CN(S(C)(=O)=O)C1)NCc1ccco1 262454221 SIBLXUIFIQHNPK-UHFFFAOYSA-N 300.384 -0.164 30 20 DBED C=CCOC[C@@H](NC(=O)Cn1nc2ccccn2c1=O)C(=O)O 263012553 NFOFUKUNDFQZKR-SNVBAGLBSA-N 320.305 -0.732 30 20 DBED CO/N=C(/C(=O)NCCOCCS(C)(=O)=O)c1ccco1 266808728 CFNNCHVBHFEAAM-SDNWHVSQSA-N 318.351 -0.193 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(C)CCOCC2CC2)C1=O 268014492 RABAXCGOIGACQZ-UHFFFAOYSA-N 323.349 -0.152 30 20 DBED CNC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccc(C#N)cc2)CCO1 272890782 WRXSYEHNWSHJQN-LBPRGKRZSA-N 316.317 -0.530 30 20 DBED CS(=O)(=O)N1CCCN(/C(O)=N/C[C@H]2COCCO2)CC1 328795572 CKEKOWCKZMSRNU-NSHDSACASA-N 321.399 -0.717 30 20 DBED C[C@@H]1CN(/C(O)=N/Cc2nnn(C)n2)C[C@]2(CCCOC2)O1 330126156 MFSGUEOTVMHBEJ-MFKMUULPSA-N 310.358 -0.106 30 20 DBED CN(CC(=O)N1CCOCC1)/C(O)=N/[C@@H]1CC(=O)N(C2CC2)C1 330263038 WAJOAIRQEYFPRY-LLVKDONJSA-N 324.381 -0.546 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@H]1CN(C)CCO1 330375361 NTJHOTYIQFVXEZ-RYUDHWBXSA-N 304.416 -0.367 30 20 DBED COC[C@H](C)/N=C(/O)NC(=O)CN1CCC[C@H]1C(=O)N(C)C 330664938 ZDDGTLHIKJJYKV-QWRGUYRKSA-N 314.386 -0.396 30 20 DBED C[C@H](N/C(O)=N/CCNS(=O)(=O)N(C)C)C1CCOCC1 331241081 PSBVMKRIRXFRNQ-JTQLQIEISA-N 322.431 -0.299 30 20 DBED CC[C@@H]1CN(S(=O)(=O)N2CCO[C@H](C#N)C2)C[C@H](C)O1 337074753 QYQDOSHRHKLHJR-QJPTWQEYSA-N 303.384 -0.045 30 20 DBED C[C@@]1(O)CCCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 337150785 JEZNDMSUTSAABH-NWDGAFQWSA-N 303.384 -0.308 30 20 DBED C=CCN1CCC(NC(=O)C(=O)NCCn2ccnc2)CC1 339708546 MSABFWOXQBAEKR-UHFFFAOYSA-N 305.382 -0.234 30 20 DBED N#Cc1cnn(-c2ccc(C(=O)N3CCNC(=O)C3)cc2)c1N 340030290 MKHRBSWCUBDQMK-UHFFFAOYSA-N 310.317 -0.102 30 20 DBED N#Cc1cc(N2CC[C@@H](S(N)(=O)=O)C2)cc(N)c1[N+](=O)[O-] 342134385 QAYSEJQCXZBYKN-SECBINFHSA-N 311.323 -0.084 30 20 DBED CCNC(=O)CN1CCN([C@@H](C)C(=O)NC2(C#N)CCC2)CC1 345873360 ZPBOMKKTNNLGPV-ZDUSSCGKSA-N 321.425 -0.309 30 20 DBED C[C@@H](C#N)S(=O)(=O)N1CCN(CC(=O)NC2CC2)CC1 352407006 OMAUJNQZEYCUCS-JTQLQIEISA-N 300.384 -0.876 30 20 DBED CC[C@@H]1CN(C(=O)NCC(=O)NCC#N)C[C@H](C)S1(=O)=O 362110474 DBAHDOZMDZLLFV-VHSXEESVSA-N 316.383 -0.767 30 20 DBED CCS(=O)(=O)NCCS(=O)(=O)N[C@@H]1CC[C@H](C#N)C1 425191866 YIXQIXNJDIEUBS-VHSXEESVSA-N 309.413 -0.463 30 20 DBED N#Cc1ncccc1S(=O)(=O)NCc1nnc2n1CCC2 428253175 PRBYXKYIKDMIKF-UHFFFAOYSA-N 304.335 -0.031 30 20 DBED COCCCS(=O)(=O)NCC(=O)Nc1n[nH]c(C)c1C#N 431684112 FRMWJWPDRRHDPT-UHFFFAOYSA-N 315.355 -0.516 30 20 DBED C=CCNC(=O)NC(=O)CN[C@](C)(COC)CC(=O)OC 440564280 ZKFOXUVNRUVTIR-ZDUSSCGKSA-N 301.343 -0.444 30 20 DBED C=CCN(CC=C)C(=O)C(=O)N1CCN(CC(=O)NCC)CC1 459815714 GEIYHHZCVHQPJA-UHFFFAOYSA-N 322.409 -0.533 30 20 DBED C#CCN1CCN(C(=O)CN2C[C@H](C)O[C@]3(CCOC3)C2)CC1 491504200 GRACAUWKTVLRCV-DOTOQJQBSA-N 321.421 -0.356 30 20 DBED N#Cc1ncn(CC(=O)NCCS(=O)(=O)c2ccccc2)n1 495089208 XLTFUJBSDFMUBS-UHFFFAOYSA-N 319.346 -0.260 30 20 DBED CN(CCC#N)S(=O)(=O)N1CCC([C@@H]2OCC[C@H]2N)CC1 518533112 PAZJOFHMZXSNEZ-OLZOCXBDSA-N 316.427 -0.095 30 20 DBED C=CCC[C@H](CO)NC(=O)N[C@H]1CCN(S(C)(=O)=O)C1 519653858 OPUWBAQJFNKTNN-WDEREUQCSA-N 305.400 -0.353 30 20 DBED CC(=O)N1CC(C(=O)N(C)CCCc2[nH]nc(N)c2C#N)C1 530364411 MCSIYDSMRGYCRS-UHFFFAOYSA-N 304.354 -0.267 30 20 DBED COC(=O)[C@@H]1CNC(=O)CN1C(=O)Cc1cccc(C#N)c1 548399759 GABITGIJURBXJE-LBPRGKRZSA-N 301.302 -0.399 30 20 DBED Cc1oc(C#N)cc1C(=O)NCCNS(=O)(=O)N(C)C 570856308 HJKZMWVLYRGZAD-UHFFFAOYSA-N 300.340 -0.415 30 20 DBED C=CCNC(=O)NC(=O)CN1[C@H]2C[C@H]3[C@H]([C@@H]2O)[C@@H]2C[C@H]3[C@@H](O)[C@@H]21 575872138 GSSTZGQRACTLPF-NEPRZXBWSA-N 321.377 -0.941 30 20 DBED Cn1c(N[C@H]2CCN(C(C)(C)C)C2=O)c(C#N)c(=O)n(C)c1=O 579000431 IOGXDUPBQCCCKH-JTQLQIEISA-N 319.365 -0.233 30 20 DBED N#Cc1c[nH]c(C(=O)N2CCCC[C@@H]2CNS(N)(=O)=O)c1 597735313 FSNDMKIELOAKDZ-SNVBAGLBSA-N 311.367 -0.326 30 20 DBED CNC(=O)[C@H](C)NC(=O)C(=O)Nc1cc(OC)c(C#N)cc1F 599974776 JVEOLXDJTIBYRM-ZETCQYMHSA-N 322.296 -0.105 30 20 DBED C=C(C)[C@H]1OCC[C@H]1CNC(=O)N1CC(NS(C)(=O)=O)C1 637117272 NWEGLYWTOHICIS-CMPLNLGQSA-N 317.411 -0.089 30 20 DBED C#CCC[C@@H](O)CNC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 717936743 JUSCRARFVSKRRP-NWDGAFQWSA-N 302.396 -0.452 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)OCCN2CCCC2=O)C1=O 726043810 ZPDHLGWCRNWYQC-UHFFFAOYSA-N 323.305 -0.871 30 20 DBED COCCNC(=O)[C@H](C#N)C(=O)c1ccc(-c2nn[nH]n2)nc1 737003198 FGGFYLMUAWUMIG-SECBINFHSA-N 315.293 -0.653 30 20 DBED CC(C)N(CCS(C)(=O)=O)S(=O)(=O)N(C)CCC#N 753845935 SDNLBIJGWKMFCM-UHFFFAOYSA-N 311.429 -0.168 30 20 DBED C#C[C@H](NC(=O)CN(C)[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCCO1 776262632 FPBHDDWALDZUQS-AGIUHOORSA-N 314.407 -0.598 30 20 DBED CN(CCC#N)S(=O)(=O)N[C@@H](CC1CCOCC1)C(=O)O 776598646 COOGWHNXQFLAOF-NSHDSACASA-N 319.383 -0.064 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@H]1CCN(CCOC)C1)[C@@H]1CCCO1 804901702 YNAODMUDXYCSRH-IHRRRGAJSA-N 323.393 -0.880 30 20 DBED Cc1nsc(N2CCN(C(=S)NCC(N)=O)CC2)c1C#N 811711892 YXFWSSJSVURCEU-UHFFFAOYSA-N 324.435 -0.195 30 20 DBED COC(=O)c1cn(CC(=O)NCc2ccc(C#N)cn2)nn1 813707790 PRGZEIWTOYCYSE-UHFFFAOYSA-N 300.278 -0.352 30 20 DBED C#C[C@H](C)NC(=O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 820399659 IARWLVJWLRPJEV-JTQLQIEISA-N 311.367 -0.553 30 20 DBED N#C[C@@H]1CN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CCO1 822806434 MOERIUVPPJQCEX-SSDOTTSWSA-N 302.254 -0.101 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N[C@@H]1CCN(C(=O)CC)C1 828789471 RFQLJBYNKUELRH-CYBMUJFWSA-N 323.393 -0.388 30 20 DBED N#CCN(CC(=O)O)CC(=O)N1CC(=O)Nc2ccccc21 833065522 BMOBGTHWCJEZIT-UHFFFAOYSA-N 302.290 -0.118 30 20 DBED CNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CNC[C@@H]2C#N)cc1 834517457 VSQSJGPPYXQELP-CMPLNLGQSA-N 308.363 -0.564 30 20 DBED CNC(=O)[C@H](O)CNC[C@@H](O)COc1ccc(CC#N)cc1 843111500 SSKRLRYDHUTHAE-TZMCWYRMSA-N 307.350 -0.811 30 20 DBED C#C[C@](C)(CC)NCC(=O)N1CCN(CC(=O)N(C)C)CC1 852098571 QGIORDOAZJPXTN-MRXNPFEDSA-N 308.426 -0.390 30 20 DBED CO[C@@]1(C)C[C@H]1NC(=O)NCCN/C(O)=C1\N=CC=CC1=O 853712611 IYWACNULXLCPBG-SQXJLYEZSA-N 308.338 -0.011 30 20 DBED C=C[C@](C)(O)C(=O)N1CCS(=O)(=NS(C)(=O)=O)CC1 854590503 ZELSCNOPJQLAQB-JTQLQIEISA-N 310.397 -0.807 30 20 DBED C#CC[C@@H](NC(=O)c1cn(CC2(CC)COC2)nn1)C(=O)OC 854909596 DCRTVOXNAOZPIR-LLVKDONJSA-N 320.349 -0.001 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N1CC[C@@H](C)[C@@H](CO)C1 857096470 OCTCJNFIHOSLGQ-ZIAGYGMSSA-N 310.394 -0.038 30 20 DBED CC(C)[C@](C)(C#N)NC(=O)COC(=O)CN1CCCNC1=O 915433008 GSEBQQGRNFUIAC-AWEZNQCLSA-N 310.354 -0.001 30 20 DBED COCCNC(=O)[C@H](C#N)C(=O)[C@H](C)NC(=O)c1ccoc1 916890733 LOVNZXMVWNVHHQ-GXSJLCMTSA-N 307.306 -0.131 30 20 DBED CNC(=O)[C@H](C#N)C(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O 917005263 QDJVLUPVWDZVOU-FCHSOHFDSA-N 320.349 -0.058 30 20 DBED COCCCS(=O)(=O)NCC(=O)N1CCC[C@@H](C#N)C1 928220271 GDJKQKKMLKKRGA-NSHDSACASA-N 303.384 -0.296 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H](NC(=O)[C@@H]3CCOC3)C2)nn1 937732911 HCCHGQLEVSUYGM-NEPJUHHUSA-N 319.365 -0.169 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C2CN([C@H](C)C(=O)N(C)C)C2)CC1 941348387 MWGGJQASDZTCMJ-CHWSQXEVSA-N 321.425 -0.549 30 20 DBED Cn1nc2c(c1C(=O)NC[C@H]1CN(CC#N)C[C@H]1O)CCCC2 958100400 ADJRRNKJISYQQI-SMDDNHRTSA-N 317.393 -0.155 30 20 DBED CC#CCN1C[C@@H](O)[C@H](CNC(=O)c2cnc3n2CCC3)C1 958149944 XQOPQIIRMKPYSQ-TZMCWYRMSA-N 302.378 -0.125 30 20 DBED C=CCCN1C[C@@H](O)[C@@H](CNC(=O)c2ccc(C(N)=O)o2)C1 958240197 YLXVRDUZQYXKPY-WDEREUQCSA-N 307.350 -0.023 30 20 DBED C#CCN1CCC(C(=O)NC[C@H]2CN(CCOC)C[C@@H]2O)CC1 958724364 OCYYJYSRJHNQBW-HOTGVXAUSA-N 323.437 -0.613 30 20 DBED C#CCCN1C[C@@H](O)[C@@H](CNC(=O)c2cc(C(N)=O)cs2)C1 958727483 GBJNICDIHIUDFR-NWDGAFQWSA-N 321.402 -0.107 30 20 DBED Cc1nn(C)cc1C(=O)NC[C@@H]1COCCN1C(=O)[C@@H](C)C#N 964135530 OPIBDAODFSLURE-CMPLNLGQSA-N 319.365 -0.155 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)c1ccn(C)n1 964191942 ODGFFGGKJJNPAF-GHMZBOCLSA-N 305.338 -0.463 30 20 DBED COCC(=O)N1CCOC2(C1)CN(C(=O)c1ccc(C#N)[nH]1)C2 965268727 DGNGGGBUJBUKMH-UHFFFAOYSA-N 318.333 -0.414 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC2(C1)CN(C(=O)[C@H]1CCN(C)C1)C2 965469224 XBBWBCDHWMPPRE-STQMWFEESA-N 320.393 -0.462 30 20 DBED Cn1cc(C(=O)N2CC[C@]3(CN(CC#N)CCO3)C2)ccc1=O 972450661 XLANAPXCILEOBN-INIZCTEOSA-N 316.361 -0.174 30 20 DBED C=CCN1CCO[C@@]2(CCN(C(=O)c3nnc(O)nc3O)C2)C1 972453956 RPRAWFJGDAEFCY-AWEZNQCLSA-N 321.337 -0.614 30 20 DBED CC[C@@H]1[C@@H](NC(=O)Cn2cnnc2O)CCN1C(=O)[C@@H](C)C#N 984794927 RBWHNZKSSCAWLD-GARJFASQSA-N 320.353 -0.361 30 20 DBED C=C1CC(C)(C(=O)N2CC[C@H](NC(=O)c3nc[nH]n3)[C@H](O)C2)C1 991677656 XMVPQXOFTMKQPL-WDEREUQCSA-N 319.365 -0.147 30 20 DBED C[C@@H](C#N)C(=O)N1CC(N2C[C@H](NC(=O)C3(C)CC3)CC2=O)C1 995494360 MOUSHPLJNKKLOD-WDEREUQCSA-N 318.377 -0.126 30 20 DBED COCCn1cc(C(=O)N2C[C@H](NCC#N)C(C)(C)C2)nn1 995783850 KBZTXJUYVLHPHJ-LBPRGKRZSA-N 306.370 -0.112 30 20 DBED N#CCNC1CCN(C(=O)[C@H]2CCc3nnnn3CC2)CC1 997032367 XQHPBZVPVSJELS-NSHDSACASA-N 303.370 -0.270 30 20 DBED CC(=O)N1CCC[C@@H]1C(=O)NCC1CN(C(=O)[C@H](C)C#N)C1 1002646796 QWRKJYBIVWVTIH-ZWNOBZJWSA-N 306.366 -0.268 30 20 DBED C=CCCN1CCC[C@@H](NC(=O)CN2CCN(C)C(=O)C2)C1 1007684783 CENGMFHQVGKXRR-CQSZACIVSA-N 308.426 -0.083 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)C(N)=O)CCO2)C1 1007684790 LREIULAGHBBOEF-OAHLLOKOSA-N 309.366 -0.486 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@]23CCC[C@@H]2N(C(=O)C(N)=O)CC3)c1 1014232264 JZKOGAYTLOPUJZ-NHYWBVRUSA-N 315.333 -0.375 30 20 DBED C=C(Cl)CN1CC[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 1014770111 OKFRBMFFRUAWSC-IUCAKERBSA-N 300.746 -0.473 30 20 DBED C=CCCN1CC[C@@H](NC(=O)[C@@H]2CCN(C)S2(=O)=O)C1 1015825542 MAUJQIGJRASABE-NEPJUHHUSA-N 301.412 -0.213 30 20 DBED CC1(C)CC(=O)N(CC(=O)N2[C@H]3CC[C@H]2CN(CC#N)C3)C1=O 1017556831 LQEZFWJYPXZHCH-RYUDHWBXSA-N 318.377 -0.030 30 20 DBED C#Cc1ccc(C(=O)NCC2=CCN(C(=O)C(N)=O)CC2)nc1 1017605906 GQIAWQQNWVPHDR-UHFFFAOYSA-N 312.329 -0.563 30 20 DBED C=CCn1cc(C(=O)N2[C@H]3CC[C@H]2CN(CC(=O)NC)C3)nn1 1018042571 JMGFKAFFXYRJAY-RYUDHWBXSA-N 318.381 -0.501 30 20 DBED C#CCCN1C[C@@H]2CC[C@H](C1)N2C(=O)CC[C@H]1NC(=O)NC1=O 1018245144 ADLDCWINWKTYFR-FRRDWIJNSA-N 318.377 -0.327 30 20 DBED C=CCN1CC[C@@H](N[C@H]2CCN(C(=O)c3cnon3)C2)C1=O 1019540169 IQMCPVCNGLPLBQ-WDEREUQCSA-N 305.338 -0.339 30 20 DBED C[C@@H](C#N)C(=O)N1CCCO[C@@H](CNC(=O)c2cn(C)nn2)C1 1019581487 XRHAYBZIHSQFLT-QWRGUYRKSA-N 320.353 -0.678 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC34CC4)C[C@H]2O)[nH]1 1023439502 QOGOKHQSCOKQBI-RAIGVLPGSA-N 314.345 -0.012 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnn(CC)n2)C1 1023604843 NZBVPYWEQUNNOB-VXGBXAGGSA-N 321.381 -0.188 30 20 DBED C=CCN(C)[C@H]1CCCN(C(=O)Cn2cnc(C(N)=O)n2)C1 1027416900 OOCOHTXXJRJTJG-NSHDSACASA-N 306.370 -0.514 30 20 DBED C=CCn1cc(C(=O)NC2CN([C@H](C)C(=O)NC3CC3)C2)nn1 1031068703 DFPAOXBKZMNRBZ-SNVBAGLBSA-N 318.381 -0.455 30 20 DBED Cn1nnnc1CN1CC(CNC(=O)c2cc(C#N)c[nH]2)C1 1031602981 ATVMXDVRLQVDLC-UHFFFAOYSA-N 300.326 -0.728 30 20 DBED C=CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC(=O)N(CCOC)C1 1032431365 DBVRGWIDRAJZGH-IHRRRGAJSA-N 307.394 -0.048 30 20 DBED N#Cc1cc(C(=O)NC[C@@H]2CN(Cc3cnon3)CCO2)c[nH]1 1035338420 JOXMVLTUOVUFGV-CYBMUJFWSA-N 316.321 -0.100 30 20 DBED C#CCN1CCO[C@H](CNC(=O)[C@H]2CN3CC4CC3(CO2)C4)C1 1035445794 GJTKSUUXVRXDDM-GYMHETDLSA-N 319.405 -0.700 30 20 DBED C=CCN[C@@H]1CCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)C[C@@H]1C 1036205830 YBZMPZNNZBFGCM-WDEREUQCSA-N 322.365 -0.580 30 20 DBED C#CCCCC(=O)NC[C@@]1(O)CCN(C(=O)c2cn(C)nn2)C1 1039573869 LFOFMGNWBKSBOQ-HNNXBMFYSA-N 319.365 -0.688 30 20 DBED N#CCN1[C@H]2CCC[C@H]1CN(C(=O)CN1CCOCC1=O)C2 1039644893 AQLSVNPUANPZPX-STQMWFEESA-N 306.366 -0.566 30 20 DBED C=C(C)CCC(=O)NC[C@@]1(O)CCN(C(=O)c2cnn(C)n2)C1 1039986291 BFUQLBVRMVACAH-HNNXBMFYSA-N 321.381 -0.135 30 20 DBED CS[C@@H](C)C(=O)NCC1(O)CN(C(=O)CSCC#N)C1 1041616997 JSIYZUKMUFKNIY-VIFPVBQESA-N 317.436 -0.316 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)c2cscn2)C1 1042040535 UCNFBCABDYGGKT-UHFFFAOYSA-N 311.363 -0.351 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)c2cnc(C)[nH]2)C1 1042087843 KVMDSTKDTRUCJR-SNVBAGLBSA-N 320.349 -0.940 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)CCn2cccn2)C1 1042937007 WOOUJIOMQOENSC-UHFFFAOYSA-N 318.377 -0.378 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)[C@@H](C2CC2)N(C)C)C1 1043465084 SBNBZWDCPLXFDE-OAHLLOKOSA-N 321.421 -0.325 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)CCc2cncnc2)C1 1043876901 XEQXBJQRPCUYDG-LLVKDONJSA-N 317.349 -0.742 30 20 DBED C#Cc1ccc(C(=O)N(C)C2CN(CCS(C)(=O)=O)C2)nc1 1044199983 XBFHOWVIACNORP-UHFFFAOYSA-N 321.402 -0.136 30 20 DBED Cc1n[nH]cc1C(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@@H]1O 1044357980 CFFGTXJQXLHXFG-OLZOCXBDSA-N 312.333 -0.036 30 20 DBED N#CCSCC(=O)N1CC(O)(CNC(=O)c2ccncn2)C1 1045164963 IQQYNFGAYNUNRW-UHFFFAOYSA-N 321.362 -0.964 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)[C@@]2(C)CCOC2)C1 1045297392 APSMPHVWKSAEBO-HNNXBMFYSA-N 308.378 -0.238 30 20 DBED N#CCN1CC[C@@H](N2CCN(C(=O)c3ncccn3)CC2)C1 1046072874 PMXGMVBDNNIKDZ-CYBMUJFWSA-N 300.366 -0.168 30 20 DBED C=C(Cl)C(C)(C)C(=O)N(C)[C@H]1CN(C(=O)C(N)=O)C[C@@H]1O 1048908189 YUSICUBROJGIHY-IUCAKERBSA-N 317.773 -0.720 30 20 DBED C#CCN1C[C@H]2CN(C(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)C[C@H]2C1 1048940290 GHDBWQFAHICBBT-BARDWOONSA-N 319.405 -0.177 30 20 DBED C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1ccc(O)nc1=O 1049579286 KDDJFCSIMMMOAT-CHWSQXEVSA-N 316.361 -0.353 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)[C@H]1CCS(=O)(=O)C1)C2 1050585446 JGJYFOGUYBIAQZ-ZDUSSCGKSA-N 310.419 -0.021 30 20 DBED CC#CCN1CCOC[C@H]1CNC(=O)[C@H]1CCCCC(=O)N1 1051109087 COVMBLVYCNIENJ-ZIAGYGMSSA-N 307.394 -0.115 30 20 DBED C=CCN1CCN([C@@H]2CCN(C(=O)c3cnn(C)n3)C2)CC1 1052098262 HDLQDQKUBDPDFY-CYBMUJFWSA-N 304.398 -0.167 30 20 DBED C=CCOCC(=O)N1C[C@H](CNC(=O)Cc2nc[nH]n2)[C@@H](C)C1 1052220507 KGNBHNCSYPRNJI-RYUDHWBXSA-N 321.381 -0.240 30 20 DBED COC(=O)NCC(=O)NC[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C 1052547669 IIAPAGSTAUMTQI-DGCLKSJQSA-N 321.377 -0.034 30 20 DBED CNC(=O)NCC(=O)N1C[C@@H](C)[C@@H](CNC(=O)C#CC(C)C)C1 1052776353 MSUQQNHLHJOFIB-OLZOCXBDSA-N 322.409 -0.215 30 20 DBED C#Cc1ccc(C(=O)N2C[C@H](CNC(=O)C(N)=O)[C@@H](C)C2)cn1 1053088941 CXTFOQSIIKSCTR-JQWIXIFHSA-N 314.345 -0.628 30 20 DBED C=CC(C)(C)C(=O)N1CCOC2(CN(Cc3nnn(C)n3)C2)C1 1053374901 RKLKLLHMBYVCME-UHFFFAOYSA-N 320.397 -0.165 30 20 DBED C#CCN1CCC(C(=O)N[C@H]2COC3(C2)CN(CC#N)C3)CC1 1054017389 YGNDHCQWCSTXKD-OAHLLOKOSA-N 316.405 -0.185 30 20 DBED C[C@H]1CN(C(=O)Cc2ccc(C(N)=O)nc2)C[C@@H]1NCC#N 1054798255 RWEDKCPJXRJWNL-GWCFXTLKSA-N 301.350 -0.317 30 20 DBED C#CCN[C@H]1CN(C(=O)Cc2ccc(C(N)=O)nc2)C[C@H]1C 1054798672 XUNGIIXNDQRAQJ-RISCZKNCSA-N 300.362 -0.207 30 20 DBED N#Cc1cccnc1N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cn1cnnn1 1055283047 XHGJCZZGYZCPFH-UPJWGTAASA-N 324.348 -0.134 30 20 DBED N#Cc1cncc(N2CCN(C(=O)[C@@H]3COCCO3)CC2)n1 1055722393 XOFOSNUQKCFKAH-LBPRGKRZSA-N 303.322 -0.588 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@](CO)(NC(=O)c2cccnn2)C1 1056076345 HFHPZOQLYXUQOB-NHYWBVRUSA-N 317.349 -0.280 30 20 DBED N#Cc1cncc(N2C[C@@H]3C(NC(=O)c4nccnc4N)[C@H]3C2)n1 1056152430 HZKALMUTOSFJKJ-UWVGGRQHSA-N 322.332 -0.415 30 20 DBED Cn1nccc1CC(=O)NC1[C@@H]2CN(c3nccnc3C#N)C[C@@H]12 1056173928 RQZSZZNPUSAXOH-VXGBXAGGSA-N 323.360 -0.125 30 20 DBED N#Cc1nccc(N2C[C@@H]3C(NC(=O)Cc4cnc[nH]4)[C@H]3C2)n1 1056429172 ZDFFXOCNVFUKTJ-QWRGUYRKSA-N 309.333 -0.135 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)C[C@H]1COC(=O)C1 1057346648 DTDKRZATHLOKBI-GFCCVEGCSA-N 312.366 -0.157 30 20 DBED COC[C@H](OC)C(=O)NCCN(CCO)C(=O)C#CC(C)C 1057524233 BTDVVOPOHGGRPT-ZDUSSCGKSA-N 314.382 -0.756 30 20 DBED CC(C)(C)C#CC(=O)N(CCO)CCNC(=O)Cc1cnc[nH]1 1057541388 WZDQORHKDCKMJA-UHFFFAOYSA-N 320.393 -0.061 30 20 DBED C#CCOCCC(=O)N(CCO)CCNC(=O)[C@@H]1CC1(F)F 1057581403 SAPFOGCSHAZJRF-NSHDSACASA-N 318.320 -0.381 30 20 DBED CCO[C@H](C(=O)N(CCO)CCNC(=O)[C@H](C)C#N)C1CC1 1057670148 QWUQBWBDMVCXRR-YPMHNXCESA-N 311.382 -0.102 30 20 DBED N#Cc1ccc(N[C@H]2CCN(C(=O)[C@H]3CCCNC3=O)C2)nn1 1058985368 MMAYGYYJLGPLPW-RYUDHWBXSA-N 314.349 -0.113 30 20 DBED N#Cc1nc(=N[C@H]2C[C@@H](NC(=O)[C@@H]3CCC(=O)N3)C2)cc[nH]1 1059684036 WQAGIPGDQSDBJH-AEJSXWLSSA-N 300.322 -0.892 30 20 DBED N#Cc1ccc(N[C@@H]2CC[C@H]3CN(C(=O)C(N)=O)C[C@H]32)nn1 1060552993 MLTXFZGBESETFK-JMJZKYOTSA-N 300.322 -0.518 30 20 DBED N#CCSCC(=O)N1CCO[C@H](CNC(=O)c2cc[nH]n2)C1 1064881010 MMJTVERVPIYHSV-SNVBAGLBSA-N 323.378 -0.376 30 20 DBED C=CCCC(=O)N1CCO[C@@H](CNC(=O)C2(C(=O)NC)CC2)C1 1064955818 LPCSTODXDNZHOG-LBPRGKRZSA-N 323.393 -0.178 30 20 DBED CO[C@@H](C)C(=O)NC[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)CCO1 1065063607 JAYOXJGTMVYXJA-GXFFZTMASA-N 320.349 -0.122 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@H]1CN(C(=O)c2ncc[nH]2)CCO1 1065121492 YYZRUZCDXLZOQZ-XHDPSFHLSA-N 322.365 -0.306 30 20 DBED C#CCO[C@H](C)C(=O)N1CCO[C@H](CNC(=O)c2cocn2)C1 1065153498 XJUQCTKOVJVYST-VXGBXAGGSA-N 321.333 -0.330 30 20 DBED C=C(C)CCC(=O)N1CCO[C@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 1065224389 OOBDYILGWKIXJG-NEPJUHHUSA-N 324.381 -0.632 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CN(C(=O)CN(C)C2CCC2)CCO1 1065270994 IGWIUNAHIJXZGJ-OCCSQVGLSA-N 322.409 -0.026 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@H](CNC(=O)Cc2cnn(C)c2)C1 1065557655 TXRNTFBDTIMXAB-WCQYABFASA-N 319.365 -0.534 30 20 DBED N#Cc1cnc(N2CCOC[C@@H]2CNC(=O)[C@H]2CCCO2)cn1 1066457837 UAJCQFDVPXDWRX-QWHCGFSZSA-N 317.349 -0.151 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)CCCN(C)C(=O)[C@H]1CNC(=O)N1 1067431493 RFKMXHWDPRLQEJ-NWDGAFQWSA-N 324.381 -0.987 30 20 DBED N#Cc1nccnc1N1C[C@@H](O)[C@@H](CNC(=O)c2ccon2)C1 1067652312 BOIBHOFZOVLHJB-JOYOIKCWSA-N 314.305 -0.437 30 20 DBED C#CCOCCC(=O)N1CC2(CN(C(=O)COC)CCO2)C1 1068273976 RJDSBCMUFAPBMG-UHFFFAOYSA-N 310.350 -0.888 30 20 DBED CNC(=O)CC(=O)N1CCOC2(CN(C(=O)C#CC(C)C)C2)C1 1068387174 UHGAVOSLAXPVJG-UHFFFAOYSA-N 321.377 -0.778 30 20 DBED C=C(C)C[C@@H](C)C(=O)N1CC2(CN(C(=O)C(N)=O)CCO2)C1 1068448755 RNEHWIABIKPLNU-LLVKDONJSA-N 309.366 -0.486 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H]1COC2(C1)CN(C(=O)C(F)F)C2 1068868254 LHUHYUGPLIRCHT-NXEZZACHSA-N 316.304 -0.224 30 20 DBED C[C@H]1[C@H](N=c2cc[nH]cc2C#N)CCN1C(=O)Cn1ncnn1 1068901277 OQJOCJYNMIRUED-CMPLNLGQSA-N 312.337 -0.537 30 20 DBED C=CCN[C@@H]1CN(C(=O)CO[C@@H]2CCOC2)C[C@@H]1n1ccnn1 1070193500 BEUCXBCNHVVKNE-MCIONIFRSA-N 321.381 -0.389 30 20 DBED C#CCN1C[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)CC[C@H]1C 1071862007 ULCZQAKUHGIBHT-NEPJUHHUSA-N 318.377 -0.700 30 20 DBED C#CCCCC(=O)N[C@H]1CN(C(=O)CNC(=O)NC)C[C@H]1C 1072268737 RLOAUGRXPKLAQL-NEPJUHHUSA-N 308.382 -0.318 30 20 DBED C=CCCOCC(=O)N1C[C@@H](NC(=O)Cn2cnnn2)[C@H](C)C1 1072328776 BZBZAUVOLSELTK-VXGBXAGGSA-N 322.369 -0.771 30 20 DBED CC(=O)N1CC(C(=O)N2CC[C@H]3OCCN(CC#N)[C@@H]3C2)C1 1074225358 DWPFYRRIZFYMOP-ZIAGYGMSSA-N 306.366 -0.710 30 20 DBED Cc1nonc1CC(=O)N1CC[C@H]2OCCN(CC#N)[C@H]2C1 1074372376 WKRNULOCLOIHBL-QWHCGFSZSA-N 305.338 -0.254 30 20 DBED C[C@H](C#N)C(=O)N1CCC(O)(CNC(=O)c2cnn[nH]2)CC1 1074706166 HGWGTGOQDVFZMG-SECBINFHSA-N 306.326 -0.952 30 20 DBED C[C@H]1C[C@H](NC(=O)CC(N)=O)CCN1C(=O)c1cc(C#N)c[nH]1 1074908192 WIRMUZZGNAYVFA-GXSJLCMTSA-N 317.349 -0.129 30 20 DBED C#CCO[C@@H](C)C(=O)NCC[C@H](C)NC(=O)C1(NC(N)=O)CC1 1076510200 GOOMDMAEVRQNJV-QWRGUYRKSA-N 324.381 -0.763 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2nc[nH]c2C(F)(F)F)C1 1077137396 WBSZOALKJQUWEU-RNFRBKRXSA-N 303.244 -0.273 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CNC(=O)c3ccccc32)C1 1077147503 RZPFBPSZORBCPQ-RRFJBIMHSA-N 313.357 -0.692 30 20 DBED CCn1nnc2cc(C(=O)N[C@@H]3CN(CC#N)C[C@H]3O)ccc21 1078164838 CGCDEKWAGSYAHI-TZMCWYRMSA-N 314.349 -0.250 30 20 DBED CC(C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CN(CC#N)C[C@H]1O 1078198464 PBGMSZOUTMDILZ-JHJVBQTASA-N 308.382 -0.682 30 20 DBED CCCC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CN(CC#N)C[C@H]1O 1078222899 VOYKYEGPXMIMTE-JHJVBQTASA-N 308.382 -0.538 30 20 DBED C=CCN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)Cn1ncn(C)c1=O)C2 1078981663 ZTMYXQPFPIUUKQ-JHJVBQTASA-N 305.382 -0.263 30 20 DBED C=CCO[C@H](C)C(=O)N1CC(N(CC)C(=O)[C@H]2CCC(=O)N2)C1 1079486884 MBDNYCSZMBCMGQ-DGCLKSJQSA-N 323.393 -0.085 30 20 DBED C=CCOCC(=O)N(CC)C1CN(C(=O)[C@H]2CCC(=O)N2)C1 1079490558 UWUOZDDENFPGGC-GFCCVEGCSA-N 309.366 -0.473 30 20 DBED C#Cc1ccc(C(=O)N2CC(N(CC)C(=O)CC(N)=O)C2)cn1 1079529540 CJEQVTDOIJXAHN-UHFFFAOYSA-N 314.345 -0.389 30 20 DBED CCN(C(=O)C#CC1CC1)C1CN(C(=O)C2CN(C(C)=O)C2)C1 1079737132 XTMMCEXLQHAKDB-UHFFFAOYSA-N 317.389 -0.063 30 20 DBED C=CCOCC(=O)N1CC(N(CC)C(=O)[C@@]2(C)CNC(=O)C2)C1 1080121987 PYTIXYSRDLGBQH-MRXNPFEDSA-N 323.393 -0.226 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2ncn(C)n2)C1 1081455217 JXTILUKAYHPHCT-NWDGAFQWSA-N 319.365 -0.976 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)Cn2nccn2)C1 1081517672 SPRFNRPDGVYOHS-NWDGAFQWSA-N 307.354 -0.820 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@H](CNC(=O)Cc2nonc2C)C1 1081725546 WVZLBDYGPFQFHK-YPMHNXCESA-N 322.365 -0.178 30 20 DBED C=CCCN1C[C@@H](NC(=O)CN2C(=O)CCC2=O)[C@H](OC)C1 1082362781 YCABQEBQFXEXTE-VXGBXAGGSA-N 309.366 -0.473 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1ccc2nn[nH]c2n1 1083100139 XTRCCEUHVFCWGE-NWDGAFQWSA-N 313.321 -0.598 30 20 DBED CN1CC[C@H](CC(=O)N2CCO[C@@H]3CN(CC#N)C[C@@H]32)C1=O 1083112464 BYMJTBUKJNHTRW-FRRDWIJNSA-N 306.366 -0.710 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H](C)S(C)(=O)=O 1083120937 MVSCGXFLQINQAV-FRRDWIJNSA-N 314.407 -0.646 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CN1CCCNC1=O 1083130065 UHJXZPAOMTXZET-UONOGXRCSA-N 320.393 -0.663 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2ccc3c(n2)OCCO3)C1 1083602545 AMWSTKYCXQELGZ-NEPJUHHUSA-N 303.318 -0.739 30 20 DBED C=CCCn1cc(C(=O)N[C@@H]2CN([C@@H](C)COC)C[C@@H]2O)nn1 1083849287 XEXYATUEWISJTG-SCRDCRAPSA-N 323.397 -0.336 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)c2ccc(N(C)C)cn2)C1 1084101952 IOCFREPQBZWISZ-CABCVRRESA-N 302.378 -0.054 30 20 DBED C#CCN[C@@H]1CC[C@H](CNC(=O)[C@@H]2CC(=O)N(CCOC)C2)C1 1086710616 GPVVTFSEFRZOGB-RRFJBIMHSA-N 321.421 -0.011 30 20 DBED N#CCN1C[C@H](NC(=O)[C@H]2COC(=O)N2)CC2(CCOCC2)C1 1089940185 ZFZNXUFWVMPKOI-VXGBXAGGSA-N 322.365 -0.394 30 20 DBED N#CCN1C[C@H](NC(=O)c2nc[nH]n2)CC2(CCOCC2)C1 1089961141 CSGUTTJAFMSJJP-LLVKDONJSA-N 304.354 -0.071 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2cccn3c(O)nnc23)[C@H](O)C1 1090720712 BOQLFAQFZNYRHO-GHMZBOCLSA-N 316.321 -0.877 30 20 DBED Cn1nc(C2CC2)nc1CC(=O)N[C@@H]1CCN(CC#N)C[C@H]1O 1090825328 XXUUIMBEDVKJIN-VXGBXAGGSA-N 318.381 -0.690 30 20 DBED CN(C)CCC(=O)N[C@@H]1CN(c2ncc(C#N)cc2F)C[C@@H]1O 1091177971 KLWXEVVUEOWDDM-OLZOCXBDSA-N 321.356 -0.290 30 20 DBED CS(=O)(=O)CC(=O)NC[C@H]1C[C@H](Nc2nccnc2C#N)C1 1091429114 ONVRFCUGGMWAGZ-MGCOHNPYSA-N 323.378 -0.300 30 20 DBED Cc1cc(C#N)nc(NC2CC(CNC(=O)CC(N)=O)C2)n1 1092204687 SMRKZDVELOIHIX-UHFFFAOYSA-N 302.338 -0.161 30 20 DBED COCCn1cc(C(=O)NC[C@@H]2CN(CC#N)C[C@H]2C)nn1 1092597068 PIAOEIQGXUIFOP-VXGBXAGGSA-N 306.370 -0.254 30 20 DBED CCC(=O)N[C@@H](C)C(=O)N1CCN(c2cncc(C#N)n2)CC1 1093200551 PZDARZAMNFNHAP-NSHDSACASA-N 316.365 -0.088 30 20 DBED Cn1nnc2c(N3C[C@@H]4C(NC(=O)C#CC5CC5)[C@H]4C3)ncnc21 1093264252 UDXGAAGBLRRKBK-QWRGUYRKSA-N 323.360 -0.278 30 20 DBED CC#CCN1CC(OC2CCN(C(=O)[C@H]3CCC(=O)N3)CC2)C1 1093517151 WORFPOJCLAQDPM-OAHLLOKOSA-N 319.405 -0.020 30 20 DBED C[C@H]1CC(=O)N[C@@H](C(=O)NCCNc2nccnc2C#N)C1 1094178427 DOZBLCAHRRRDEY-NXEZZACHSA-N 302.338 -0.209 30 20 DBED N#Cc1ccc(NCCNC(=O)c2ccnc3[nH]nnc23)nn1 1094265404 DIIUDJAGIRUNRF-UHFFFAOYSA-N 309.293 -0.144 30 20 DBED C#CCN1CC(n2cc(CNC(=O)[C@@H]3CCCCN3C)nn2)C1 1094299529 AZGZYXJQFCVQLY-HNNXBMFYSA-N 316.409 -0.132 30 20 DBED CN1C[C@@H](C(=O)NC[C@]23CCC[C@H]2N(CC#N)CC3)NC1=O 1094488564 FWMSEOBBVDNNFN-YWPYICTPSA-N 305.382 -0.106 30 20 DBED N#Cc1nc(=NCCCNC(=O)[C@H]2CCCC(=O)N2)cc[nH]1 1094633822 VECHAZUPPUDJOK-SNVBAGLBSA-N 302.338 -0.643 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)CN3CC[C@H](C)C3)CC2=O)C1 1094786855 DISJAVPLCAMOHY-UONOGXRCSA-N 320.437 -0.085 30 20 DBED N#Cc1ccc(N2CCC[C@@H](NC(=O)CNC(N)=O)C2)nn1 1096136479 JFYUNTZFFNHYGU-SNVBAGLBSA-N 303.326 -0.898 30 20 DBED N#Cc1nc(=N[C@H]2C[C@@H](NC(=O)CCc3cnn[nH]3)C2)cc[nH]1 1097253483 AKOBECVRSZDSMN-PHIMTYICSA-N 312.337 -0.420 30 20 DBED C[C@@H](CNC(=O)c1cnn(C)c1N)Nc1cncc(C#N)n1 1097762102 CYBIIDVXBTVUTK-QMMMGPOBSA-N 300.326 -0.106 30 20 DBED C#CCN(CCO)C1CCN(C(=O)C[C@H](C)NC(N)=O)CC1 1098368902 LUUHHFQSSQONKS-LBPRGKRZSA-N 310.398 -0.648 30 20 DBED C=CCNCc1cn([C@H]2CCN(C(=O)CCNC(N)=O)C2)nn1 1098778757 APEDPXWUKPISTH-LBPRGKRZSA-N 321.385 -0.615 30 20 DBED C#CCOCCC(=O)N[C@H]1CCN(Cc2cncn2C)C[C@@H]1O 1099833469 WMJQBFBBZMZTAQ-GJZGRUSLSA-N 320.393 -0.489 30 20 DBED N#CCN1CC[C@H](NC(=O)CCCNC(=O)C2CC2)[C@H](O)C1 1099863014 HDKBXIKIGPNCBC-QWHCGFSZSA-N 308.382 -0.632 30 20 DBED C#CCN1CC[C@@H](NC(=O)COc2c(C)occc2=O)[C@@H](O)C1 1099916987 WUDZNTVLUAKGOQ-OCCSQVGLSA-N 320.345 -0.488 30 20 DBED CC#CCN1CC[C@H](NC(=O)CCNC(=O)C2CCC2)[C@H](O)C1 1100031819 KUIGEFQXKBXYTP-LSDHHAIUSA-N 321.421 -0.133 30 20 DBED CC(C)(C)S(=O)(=O)CC(=O)N[C@@H]1CCN(CC#N)C[C@@H]1O 1100076650 ORLZYVDPLNZWLG-MNOVXSKESA-N 317.411 -0.725 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)Cn2cncn2)[C@@H](O)C1 1100101860 UBNWFZBGRNWGKR-OLZOCXBDSA-N 309.370 -0.968 30 20 DBED C=CCCOCC(=O)N[C@H]1CCN(Cc2cnon2)C[C@H]1O 1100138812 LBOCTYTVPYOEEX-QWHCGFSZSA-N 310.354 -0.286 30 20 DBED C=CCCOCC(=O)N[C@H]1CCN(CCn2cncn2)C[C@@H]1O 1100138870 LYCKCRDUIZBFSE-KBPBESRZSA-N 323.397 -0.578 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)CC2(O)CCC2)C1 1100311145 AVQSZSZCYICAFX-UHFFFAOYSA-N 307.394 -0.475 30 20 DBED CN(CCNC(=O)c1ccnc2[nH]nnc12)c1ccc(C#N)nn1 1100415064 WALVBHLYVPNBPF-UHFFFAOYSA-N 323.320 -0.119 30 20 DBED Cc1ncc(C(=O)NCC2CC(NCC(=O)NCC#N)C2)n1C 1100606430 FHONMGZLGQAMGP-UHFFFAOYSA-N 318.381 -0.534 30 20 DBED CN1C[C@H](C(=O)N(C)CCN=c2cc[nH]c(C#N)n2)CCC1=O 1101659053 VRQDYHAVXRBASU-LLVKDONJSA-N 316.365 -0.491 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CCCCN(c2ccnc(C#N)n2)C1 1102838123 NMVBTNRWGMQXOG-GFCCVEGCSA-N 316.365 -0.041 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H](CC)Nc1nccc(OC)n1 1103039490 LVDRXPFFQFFJPL-NSHDSACASA-N 319.365 -0.069 30 20 DBED CC[C@@H](CNC(=O)Cn1nccn1)Nc1cncc(C#N)n1 1103214379 QDAIGEFFVRJSFG-JTQLQIEISA-N 300.326 -0.053 30 20 DBED Cc1cc(C#N)nc(NC[C@](C)(NC(=O)C(N)=O)C2CC2)n1 1103565976 MOAFDUFYWJGEMG-AWEZNQCLSA-N 302.338 -0.161 30 20 DBED C#CCNC(=O)CNCC[C@@H]1CN(C(=O)[C@H](C)OC)C[C@H]1C 1103945985 HHVHSLFOCUNUBF-HZSPNIEDSA-N 309.410 -0.155 30 20 DBED CC(=O)NCC(=O)NC[C@H]1CN(c2ccc(C#N)nc2)CCO1 1104283144 IAELFKISTUZMQM-AWEZNQCLSA-N 317.349 -0.589 30 20 DBED C[C@@H]1CN(C(=O)c2cn(C)c(=O)cn2)C[C@H]1CCNCC#N 1104431585 GKQXGIQDMJCROH-VXGBXAGGSA-N 303.366 -0.008 30 20 DBED CC[C@@H](NC(C)=O)C(=O)N(C)[C@@H](C)CN=c1cc[nH]c(C#N)n1 1104819189 LLVKEBXTANBNMD-CMPLNLGQSA-N 318.381 -0.056 30 20 DBED C=CCCNCc1cn(C2CN(C(=O)CNC(=O)NC)C2)nn1 1105256478 GAOYWXQXRKMKLG-UHFFFAOYSA-N 321.385 -0.744 30 20 DBED CC(C)[C@@H](CNC(=O)c1nnn(C)n1)Nc1nccnc1C#N 1105265888 GZHFEEKCNNSBGY-SNVBAGLBSA-N 315.341 -0.262 30 20 DBED C=CCNCc1cn(C2CN(C(=O)CCCC(N)=O)C2)nn1 1105383358 XKKLDBCQUQANDJ-UHFFFAOYSA-N 306.370 -0.407 30 20 DBED N#Cc1cccnc1NC[C@H](O)CNC(=O)C1=COCCO1 1105715423 SYVOZDGRRICBNW-NSHDSACASA-N 304.306 -0.270 30 20 DBED CCSCCC(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1 1105723971 XJZKYDXTBKCLPR-JTQLQIEISA-N 309.395 -0.198 30 20 DBED CCn1cc(C(=O)NC[C@H](O)CNc2cnc(C#N)cn2)cn1 1105765903 JVBWHZMRNCAQBG-GFCCVEGCSA-N 315.337 -0.233 30 20 DBED CC(C)(C)C(=O)C(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1 1105766119 PLQTUFTYBUUGLF-SECBINFHSA-N 305.338 -0.726 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H](O)CNC(=O)CCc1ccon1 1106018948 CFEFIMQVUHZIGN-ZDUSSCGKSA-N 315.333 -0.115 30 20 DBED CC(=O)N(C)CC(=O)NC/C=C/CN=c1cc[nH]c(C#N)n1 1107040426 ZVAIEZYEYBFGEZ-ONEGZZNKSA-N 302.338 -0.667 30 20 DBED COC[C@H](OC)C(=O)NC/C=C\CN=c1cc[nH]c(C#N)n1 1107497266 FWLMCLHDICDDMR-BYCRGOAPSA-N 305.338 -0.484 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@H](C)CN=c1cc[nH]c(C(=O)OC)n1 1107731126 KVXVLSCCVBIUBH-MEBBXXQBSA-N 322.365 -0.071 30 20 DBED CC#CCN1CCO[C@](C)(CNC(=O)C(=O)NCC2CC2)C1 1108309541 UMADIDLRABCMAT-MRXNPFEDSA-N 307.394 -0.257 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)CCc1nc[nH]n1 1108327096 MBYNXZVIHYBNIG-VIFPVBQESA-N 300.326 -0.562 30 20 DBED C#CCCN1CCO[C@](C)(CNC(=O)CS(=O)(=O)CC)C1 1108419776 QUNIJORPZYIDJP-CQSZACIVSA-N 316.423 -0.349 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)CCCn1cncn1 1108504789 NQDZXIYOZLDAIH-NSHDSACASA-N 314.353 -0.241 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)CC[C@H]3CCCO3)CC2=O)C1 1108506685 XKWMRDCSDHANQX-UKRRQHHQSA-N 319.405 -0.020 30 20 DBED CC#CCN1CC(N2C[C@H](NC(=O)CC(C)(C)O)CC2=O)C1 1108541616 XZGKSPSTJNPBSD-GFCCVEGCSA-N 307.394 -0.428 30 20 DBED N#CCNC(=O)CN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cnon1)C2 1108780489 CRHKLYGWWYNSKM-AXFHLTTASA-N 318.337 -0.708 30 20 DBED C[C@@H](CN(C)c1nccnc1C#N)NC(=O)C[C@@H](C)NC(N)=O 1109096388 AXNLQTOYESGLFH-ZJUUUORDSA-N 319.369 -0.264 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCc1nnc(O)nc1O 1109482215 SKTBUAUXOQNRRY-USWWRNFRSA-N 317.349 -0.430 30 20 DBED N#Cc1nc(=NC[C@H](NC(=O)[C@@H]2CCC(=O)N2)C2CC2)cc[nH]1 1109880966 XSUHTKYITDAYCM-QWRGUYRKSA-N 314.349 -0.645 30 20 DBED N#Cc1cnc(NC2(CNC(=O)[C@@H]3CCNC3=O)CC2)cn1 1110301411 HWMHFKFJWUMYAI-SNVBAGLBSA-N 300.322 -0.455 30 20 DBED CC(=O)N(C)CC(=O)N1CCC[C@H]1CN=c1cc[nH]c(C#N)n1 1110532647 XMSCMFFNVSETIJ-LBPRGKRZSA-N 316.365 -0.349 30 20 DBED CC(C)[C@@H](O)C(=O)N(C)[C@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1111181170 HXTITDIXHVGBMC-SGMGOOAPSA-N 319.365 -0.627 30 20 DBED C[C@H](C#N)C(=O)N1CCN(CCCS(=O)(=O)N(C)C)CC1 1112711215 UUCXNIHIVQDVSN-GFCCVEGCSA-N 316.427 -0.428 30 20 DBED COCC#CCN1CCN(C(=O)[C@]2(C)CCNC(=O)C2)CC1 1113008512 SCSHDMCKWOISCC-MRXNPFEDSA-N 307.394 -0.303 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)c2cn(C)ccc2=O)CC1 1113088150 NOANAJKTYXUYAH-UHFFFAOYSA-N 318.377 -0.555 30 20 DBED C[C@@H](CNC(=O)[C@@H]1COC(=O)N1)N(C)c1nccnc1C#N 1113590371 CAEVRBQCBWRQFV-WPRPVWTQSA-N 304.310 -0.602 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3cnn(C)c3C)[C@H]2C1 1113857113 JEDTZDPOJOENNP-NHAGDIPZSA-N 317.393 -0.309 30 20 DBED N#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3ccnc(F)c3)[C@H]2C1 1113978979 BKKUYLFZOSYEQP-QWRGUYRKSA-N 317.324 -0.480 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)[C@@H]3CCCN3C(C)=O)[C@@H]2C1 1115141539 BEBISXGKBGCPBD-KFWWJZLASA-N 319.405 -0.307 30 20 DBED CNC(=O)CCCC(=O)N(C)C[C@H](C)N=c1cc[nH]c(C#N)n1 1115687801 XYCWIFPSYIEJDJ-NSHDSACASA-N 318.381 -0.055 30 20 DBED CNC(=O)NCCC(=O)N(C)C[C@@H](C)Nc1ccc(C#N)nn1 1115704265 IZCYJCHLSIZIOV-SNVBAGLBSA-N 319.369 -0.074 30 20 DBED C#Cc1ccc(C(=O)OCC(=O)N2CCC(C(N)=O)CC2)cn1 1115984611 UZJPJWYVZOTTDI-UHFFFAOYSA-N 315.329 -0.056 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)NCc1c(CC)nn(C)c1OC 1117580275 CDZGHNSWICPTIE-SNVBAGLBSA-N 324.381 -0.076 30 20 DBED C[C@H](O)CN(C(=O)C(=O)Nc1ccc(C#N)cn1)[C@@H](C)CO 1117751895 VNNJDXCXWWITNJ-UWVGGRQHSA-N 306.322 -0.518 30 20 DBED C#CCOCCn1nnnc1N1CCC(NC(=O)COC)CC1 1120161062 ADFHBUFPDULPPV-UHFFFAOYSA-N 322.369 -0.946 30 20 DBED N#Cc1cnc(N[C@@H](CO)CNC(=O)c2cc[n+]([O-])cc2)cn1 1121009791 DFVMLKMIIOANSI-GFCCVEGCSA-N 314.305 -0.816 30 20 DBED Cc1cc(C#N)nc(N[C@H](CO)CNC(=O)c2cn(C)cn2)n1 1121302387 ANQCCUQIGZIJEO-NSHDSACASA-N 315.337 -0.407 30 20 DBED Cc1c(C(=O)NC[C@H](CO)Nc2ncccc2C#N)nnn1C 1121405864 QBNYGQYQKBJJSL-LLVKDONJSA-N 315.337 -0.407 30 20 DBED COCCOCCC(=O)NC[C@@H](CO)Nc1cnc(C#N)cn1 1121698797 KXARRDQATYIFTM-LBPRGKRZSA-N 323.353 -0.710 30 20 DBED CN(C)CCCC(=O)NC[C@@H](CO)Nc1cnc(C#N)cn1 1122417634 XUVQFFXBQOLDQS-LBPRGKRZSA-N 306.370 -0.421 30 20 DBED Cc1nc(N[C@H](CO)CNC(=O)CC(=O)N(C)C)ccc1C#N 1122634470 ABGPUCZVBARYIS-LBPRGKRZSA-N 319.365 -0.371 30 20 DBED C[C@@H]1C[C@H](Nc2nccnc2C#N)CN1C(=O)CNC(N)=O 1123144241 ABUPRSASTYATAD-BDAKNGLRSA-N 303.326 -0.582 30 20 DBED CN(C[C@@H](O)CNc1nccnc1C#N)C(=O)c1ccnn1C 1124150189 QXGSMOPZLYIBEB-JTQLQIEISA-N 315.337 -0.373 30 20 DBED CN(C[C@@H](O)CNc1ccc(C#N)nn1)C(=O)c1cnn(C)n1 1124415985 YAOGGSBZFZEMBZ-JTQLQIEISA-N 316.325 -0.978 30 20 DBED COC[C@H](OC)C(=O)N(C)C[C@@H](O)CNc1ncccc1C#N 1124721411 MYFYTEXCASGQHR-STQMWFEESA-N 322.365 -0.154 30 20 DBED C=CCOCC(=O)NCCN[C@H](C)C(=O)NCC(F)(F)F 1124772294 ASMYLSIRPCVESS-SECBINFHSA-N 311.304 -0.038 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]cc1C#N)C(=O)[C@@]12COC[C@@H]1C2 1124822579 SAHIJXZRUHOEPW-XEZPLFJOSA-N 316.361 -0.357 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)CCc1ccoc1 1125483510 GVBGWJGXZWWTNI-UHFFFAOYSA-N 322.365 -0.070 30 20 DBED COCCN(CCNC(=O)[C@H](C)OC)c1ccc(C#N)nn1 1126238002 HQUQEHGTCUYAKN-NSHDSACASA-N 307.354 -0.048 30 20 DBED CN(C(=O)C(C)(C)C(N)=O)C1CC(N=c2cc[nH]c(C#N)n2)C1 1127021293 RCRKVIDJHDESHT-UHFFFAOYSA-N 316.365 -0.317 30 20 DBED C#CCOCCC(=O)NCCNC[C@H]1CCCS(=O)(=O)C1 1127031926 LOTQUYFWNHQVJB-CYBMUJFWSA-N 316.423 -0.443 30 20 DBED COCCNCc1nnc2n1CC[C@@H](NC(=O)[C@H](C)C#N)CC2 1127964486 LSXZETYAHFICEO-NEPJUHHUSA-N 320.397 -0.005 30 20 DBED C#CCC1(C(=O)NCCNCC(=O)NC(=O)NCC=C)CCC1 1129120823 DYECWPLNIHOVMV-UHFFFAOYSA-N 320.393 -0.102 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@@H](C)NC(=O)CC)C[C@@H]1n1ccnn1 1129866443 BPROOLHMROYUEF-UPJWGTAASA-N 318.381 -0.833 30 20 DBED COCC#CCNCCNC(=O)c1c[nH]nc1[C@H]1CCOC1 1131907978 QNLFLYFAXDDXKX-LBPRGKRZSA-N 306.366 -0.117 30 20 DBED C#CCCN1C[C@@H](NC(=O)CNC(=O)CNC(C)=O)CC[C@@H]1C 1132131892 LSYAGZPKFTZMSD-JSGCOSHPSA-N 322.409 -0.769 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)c2cncc(OC)n2)C1=O 1134833262 SEJVPUBZHKGXAH-LLVKDONJSA-N 319.365 -0.409 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cn2nccc2nc1C 1136041625 MSHMTCGYKCUSRD-UHFFFAOYSA-N 314.349 -0.893 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC2(CCN(CCn3cncn3)C2)C1 1147541362 NRQYBWHFSOVGMS-AWEZNQCLSA-N 317.393 -0.149 30 20 DBED C#CCCN1CCCO[C@@H](CNC(=O)CN2CCCNC2=O)C1 1149945853 GNIVZLOLQKGLMC-AWEZNQCLSA-N 322.409 -0.368 30 20 DBED N#CCNC(=O)CNCCNC(=O)[C@@H]1Cc2cccc(F)c2O1 1151663357 GKKASOUHTLOIBV-LBPRGKRZSA-N 320.324 -0.525 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@H](C)OCCOCC 1152215951 QDEQYHAZZGSUEZ-OLZOCXBDSA-N 315.414 -0.176 30 20 DBED C#CCNC(=O)CC(=O)NCCCNCCOCC(F)F 1156847957 MLNODTUFPRBCAT-UHFFFAOYSA-N 305.325 -0.497 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCCNCCNS(=O)(=O)CC 1157202200 QDNKLBIXMHCFJI-CYBMUJFWSA-N 321.443 -0.651 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)Cn1ccnc1C 1176146531 CGPJABKQEYUPNF-LBPRGKRZSA-N 307.398 -0.022 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)COCCCOC)C[C@@H]21 1177131587 PTRRTDAMEPSFSL-GJZGRUSLSA-N 310.394 -0.026 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H]2CC[C@H]1[C@H](CNCCO)C2 1177711334 MKZJMMZLDOTVFN-IHRRRGAJSA-N 307.394 -0.665 30 20 DBED C=CCNC[C@H]1C[C@H]2CC[C@H]1N(C(=O)CN1CCNC(=O)C1)C2 1177876083 GDSQMPIWLMANBA-RBSFLKMASA-N 320.437 -0.179 30 20 DBED C=CCOCCN[C@H]1CCN(C(=O)C2CS(=O)(=O)C2)[C@H]1C 1178771365 FMNQNPJEIUXURC-AAEUAGOBSA-N 316.423 -0.187 30 20 DBED COCC#CCN[C@H]1CCN(C(=O)[C@H]2CCC(=O)N2C)[C@H]1C 1179392535 KDVHQFBGPCAHAE-MELADBBJSA-N 307.394 -0.164 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](CNCCOC)[C@@H](C)C1 1184239863 CYBNIHPJADFYIY-KBPBESRZSA-N 309.410 -0.154 30 20 DBED C=CCNC[C@@H]1CCN(C(=O)Cn2c(O)nnc2O)C[C@H]1C 1185575916 XTHABKQSNMRQGR-MNOVXSKESA-N 309.370 -0.051 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H]2CCN(C(=O)COCC=C)[C@@H]2C1 1187279888 FOJPKXCZGKZMSB-QLFBSQMISA-N 319.405 -0.140 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)C(C)(C)COC)C1 1191360432 ONVBXDLUAOMXNL-ZDUSSCGKSA-N 309.410 -0.059 30 20 DBED CCCC[C@@H](C(N)=O)N1C[C@@H](O)[C@H](NC(=O)C#CC2CC2)C1 1192826930 NDOAOPKKKUTZHK-HZSPNIEDSA-N 307.394 -0.395 30 20 DBED C#CCCN(C)[C@H]1CCN(C(=O)[C@H]2COCCN2C(C)=O)C1 1194124185 JIEWBDCPJQWKLO-LSDHHAIUSA-N 307.394 -0.210 30 20 DBED CC(C)(C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1O)C1CC1 1195567221 MLIICDHKPRNRKY-VXGBXAGGSA-N 308.382 -0.776 30 20 DBED C#CCCN1CCCN(C(=O)CCNS(C)(=O)=O)CC1 1196040019 APFHDUZSQBTIKU-UHFFFAOYSA-N 301.412 -0.517 30 20 DBED C#CCCN1CCCN(C(=O)C(C)(C)NS(C)(=O)=O)CC1 1197378779 FHZVMUYXACXTDW-UHFFFAOYSA-N 315.439 -0.128 30 20 DBED N#CCNC(=O)CNC1CCN(C(=O)C[C@H]2CCOC2)CC1 1199911111 IHGIFCOVXGPFDW-GFCCVEGCSA-N 308.382 -0.367 30 20 DBED CC#CCN[C@@H]1C[C@H](NC(=O)CS(=O)(=O)NC)C12CCC2 1203742039 LCISITNIFFASBD-NEPJUHHUSA-N 313.423 -0.424 30 20 DBED Cc1[nH]nc(C(=O)N2CCC[C@@H](NCC(=O)NCC#N)C2)c1C 1207722125 PUSSWHXSOLMISG-GFCCVEGCSA-N 318.381 -0.139 30 20 DBED CC#CCN1C[C@@H](NC(=O)CN(C)CC(=O)NC(C)C)[C@H](C)C1 1207865604 KOQYGUOUJZLNIC-HUUCEWRRSA-N 322.453 -0.097 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC[C@H](NCC(=O)N2CCC2)C1 1208014210 NNXWLMXKOIDAIN-KBPBESRZSA-N 307.394 -0.162 30 20 DBED COCC#CCN[C@@H]1CCCN(C(=O)c2cn(C)c(=O)cn2)C1 1208626178 OMBVAMKQXCWCMI-CYBMUJFWSA-N 318.377 -0.376 30 20 DBED C=CCCN1C[C@@H](NC(=O)CCn2cc[nH]c(=O)c2=O)[C@H](C)C1 1209555175 WWQRQKIPDURRIU-CHWSQXEVSA-N 320.393 -0.061 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2ccc(O)nc2)[C@H](C)C1 1210729461 HLCKEZFMUKEGLC-DGCLKSJQSA-N 316.361 -0.413 30 20 DBED C=CCOCC(=O)N[C@@H]1CN([C@@H]2CCN(C)C2=O)C[C@H]1OC 1212034608 YSIZFNZOOYPRMI-JHJVBQTASA-N 311.382 -0.765 30 20 DBED C=C(C)CCC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[nH]2)C[C@H]1OC 1212347009 OCZMTKMKMBUCLO-VXGBXAGGSA-N 323.397 -0.220 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@](C)(NC(C)=O)C2CC2)[C@H](OC)C1 1213713003 KDZBOIBSQSFZND-IIAWOOMASA-N 307.394 -0.260 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@H](CC(C)C)NC(C)=O 1213750016 NRIGTPNEQJMJGS-BFHYXJOUSA-N 310.398 -0.124 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1C 1214555535 KJARBFSYLKVJGQ-IJLUTSLNSA-N 320.397 -0.444 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2n[nH]cc2C)C[C@H]1C 1214582277 MLQDTYGIZYYZOG-JHJVBQTASA-N 317.393 -0.094 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1C 1215431733 MDIQTOQSWOOOKE-IJLUTSLNSA-N 322.409 -0.621 30 20 DBED C=CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CS(=O)(=O)NC 1219039324 GDTCBLWGENYMNJ-NWDGAFQWSA-N 317.411 -0.977 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2cnc(C)cn2)C[C@@H]1O 1219611666 CWCZGFFHCSUQEX-CABCVRRESA-N 318.377 -0.514 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)c2n[nH]c3c2CCC3)C1 1219930071 UDHZNGVNODGUFG-KGLIPLIRSA-N 318.377 -0.677 30 20 DBED CC#CCCCC(=O)N[C@@H]1CN([C@@H](C)c2nnnn2C)C[C@@H]1O 1220184242 AIGFBECAWJICEV-XQQFMLRXSA-N 320.397 -0.374 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(CCC[C@@H](C)O)C[C@@H]2O)nc1 1220793387 WHVOCDVHQRLIAF-WQVCFCJDSA-N 317.389 -0.001 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)CNC(=O)c2ccccc2F)C1 1220971351 DSFXANPTEJGCRB-KGLIPLIRSA-N 321.352 -0.097 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@@H]2CN(C(=O)c3ncc[nH]3)[C@@H]2C1 1221529686 MDIAVPXMMBPIIV-JHJVBQTASA-N 315.377 -0.306 30 20 DBED C[C@@H](C#N)C(=O)NC1CCN(CCN2C(=O)CNC2=O)CC1 1226641317 YKQGUWTZFHOURT-JTQLQIEISA-N 307.354 -0.722 30 20 DBED C=CCNC(=O)[C@H](C)N(C)CCCNC(=O)[C@H]1COCCO1 1234245082 ZJASRBWTXCOGQA-QWHCGFSZSA-N 313.398 -0.469 30 20 DBED C=CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)[C@@H](C)NC(=O)CC 1234490806 SKOPPJMZHFHAPW-CHWSQXEVSA-N 324.425 -0.264 30 20 DBED CS(=O)(=O)NC[C@H]1CCCN(CC(=O)NCCC#N)C1 1253402928 ABMIGVUHPYSEGT-LLVKDONJSA-N 302.400 -0.723 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)NCc1c(O)nnc(C)c1C 1258280986 WAOCLIGMINYDKE-SNVBAGLBSA-N 308.338 -0.268 30 20 DBED C#CCOc1ccccc1CNC(=O)C(=O)N1CCNC(=O)C1 1258286679 DOTZUAXZCUGFFY-UHFFFAOYSA-N 315.329 -0.727 30 20 DBED COC(=O)N1CCN(C(=O)C(=O)N2CCC[C@H](C#N)C2)CC1 1262509983 CCLTVLNMBPSRMQ-LLVKDONJSA-N 308.338 -0.341 30 20 DBED C#CCN1CCN(c2nnc(C[C@H](O)CC#N)n2CC)CC1 1263043941 ARIYHIZLVMKJQC-CYBMUJFWSA-N 302.382 -0.130 30 20 DBED CC#CCN1CC[C@H](NC(=O)[C@@H](NS(C)(=O)=O)C(C)C)C1 1267731340 YGCUTWQMQCVYFX-STQMWFEESA-N 315.439 -0.226 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N(C)CCS(C)(=O)=O 1320017218 ZPVYGDYZSRZAST-UHFFFAOYSA-N 312.413 -0.727 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CC[C@@H]2COC(=O)N[C@H]2C1 1326150717 SDAXDBBRLJRJNW-MXWKQRLJSA-N 311.338 -0.740 30 20 DBED CN1C(=O)CC[C@H](NC(=O)C(=O)N2CCC(CC#N)CC2)C1=O 1326258912 FZWBMFJHXNJRGK-NSHDSACASA-N 320.349 -0.598 30 20 DBED CO[C@@H]1CS(=O)(=O)C[C@@H]1/N=C/c1c(CO)cnc(C)c1O 1327264450 NHRLSORSOTWLRR-PWQCKGBASA-N 314.363 -0.181 30 20 DBED C[C@H]1CN(C(=O)C(=O)Nc2cnn(CC#N)c2)CC[C@H]1C(=O)O 1331481731 WRWXYMDPQBUBBD-GXSJLCMTSA-N 319.321 -0.086 30 20 DBED O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCOC[C@H]1C(=O)O 1333658898 RTURGRIISKALKD-XRNDOFNESA-N 323.305 -0.785 30 20 DBED C#CCN(C(=O)C(=O)NCCN1CCN(C)C(C)(C)C1)C(C)C 1333912543 NWLYDJSXQOCUQF-UHFFFAOYSA-N 322.453 -0.001 30 20 DBED C#CCN(C(=O)C(=O)N1CC[C@@H]2NC(=O)CC[C@H]2C1)C(C)C 1335122777 NQNHWWQKMSWDKY-STQMWFEESA-N 305.378 -0.016 30 20 DBED C#CCN1CCN(c2nnc([C@H]3CCNC(=O)CC3)n2C)CC1 1339424176 RWMHZEGFQSRDNJ-CYBMUJFWSA-N 316.409 -0.046 30 20 DBED C#CC1CCN(c2nnnn2CC2CN(S(C)(=O)=O)C2)CC1 1344744416 QFYRJUHHFWUHNR-UHFFFAOYSA-N 324.410 -0.586 30 20 DBED CC1(C)NC(=O)N(CCCNC(=O)[C@@H](N)CCCC#N)C1=O 1346097701 JSTCEXQIHFHZQI-JTQLQIEISA-N 309.370 -0.156 30 20 DBED CC(C)[C@@H](C#N)N1CCN(C(=O)c2nnc(O)nc2O)CC1 1361731915 NUGJUPVOJGDVJF-SECBINFHSA-N 306.326 -0.411 30 20 DBED C[C@H](C#N)C(=O)NC1CN(C(=O)[C@@H]2CCc3nccn3C2)C1 1387806639 SJZGNCBFHWQULR-GHMZBOCLSA-N 301.350 -0.068 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]1CNC(=O)CCS(C)(=O)=O 1389685436 AUGLZALRHJGUGA-UWVGGRQHSA-N 301.368 -0.702 30 20 DBED CCS(=O)(=O)CC(=O)N(C)C[C@@H](C)NC(=O)[C@@H](C)C#N 1395601503 NVLZVOJDNBGBBG-VHSXEESVSA-N 303.384 -0.456 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1cnn2ncccc12 1399846218 HPGXMOWRCQMAEN-NXEZZACHSA-N 316.321 -0.904 30 20 DBED CC(=O)N1CC(C(=O)NC[C@@H](NC(=O)[C@H](C)C#N)C(C)C)C1 1409863831 JAVAGRXRWLZMFC-ZWNOBZJWSA-N 308.382 -0.119 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCN(C)C(=O)[C@H](C)S(C)(=O)=O 1410048457 ZJOQGTOATFEFTP-UWVGGRQHSA-N 303.384 -0.504 30 20 DBED CN(CCOc1ccc(S(N)(=O)=O)cc1)C[C@H](O)CC#N 1412993313 MBJUGMPGYPKGDK-LLVKDONJSA-N 313.379 -0.081 30 20 DBED N#CC1(CNC(=O)N2CC[C@H]3OCC(=O)N[C@@H]3C2)CCOCC1 1414735208 JQQJXZZVRVAYHW-VXGBXAGGSA-N 322.365 -0.394 30 20 DBED C[C@H](C#N)C(=O)N1CC(CNC(=O)[C@H](NC(N)=O)C(C)(C)C)C1 1416107447 LYSHRKDFGHCJMD-KOLCDFICSA-N 323.397 -0.196 30 20 DBED C[C@@H](CNC(=O)c1cnnn1C)N(C)C(=O)c1c[nH]c(C#N)c1 1424120096 ORZGLSJXJPIVGI-VIFPVBQESA-N 315.337 -0.095 30 20 DBED Cc1c[nH]c(C(=O)N2CCN(CCNC(=O)[C@@H](C)C#N)CC2)n1 1429800232 QDOQTAIUGGYGAD-NSHDSACASA-N 318.381 -0.248 30 20 DBED N#Cc1cn(CC(=O)N2C[C@H]3CC[C@H]2[C@@H](O)C3)c(=O)nc1O 1434368315 DZQBGCPLHUMRRO-LSJOCFKGSA-N 304.306 -0.808 30 20 DBED C=C(Cl)CNC[C@@H](O)CNC(=O)C(C)(C)S(C)(=O)=O 1445265606 YHWHVGZFIXGVBN-SECBINFHSA-N 312.819 -0.371 30 20 DBED C[C@@H](C#N)C(=O)N1CCCCC[C@@H]1CNC(=O)Cn1ncnn1 1450288220 LIMVVNPPIBRDJC-NWDGAFQWSA-N 319.369 -0.280 30 20 DBED N#CC1(CNC(=O)c2cn(C[C@@H]3CNC(=O)O3)nn2)CCC1 1451665116 KKYFAWVKUNXJJN-VIFPVBQESA-N 304.310 -0.190 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)CCCN1CCCC1 1452398071 SSKIICQMYFQEKP-STQMWFEESA-N 310.398 -0.385 30 20 DBED Cn1c(=O)[nH]c(N[C@@H](CO)Cc2ccc(O)cc2)c(C#N)c1=O 1458226348 LGXNJKIRVUZGCF-SNVBAGLBSA-N 316.317 -0.334 30 20 DBED C=CCC[C@H](C)N[C@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 1480122183 TUSKJKDKIUGCPQ-RYUDHWBXSA-N 320.397 -0.078 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCN(C)CC(=O)N1CCO[C@H](C)C1 1482586707 PQDKCJXLLOCYEP-QWHCGFSZSA-N 310.398 -0.216 30 20 DBED C=C(Cl)CN1CC[C@](O)(CNC(=O)[C@H]2CCC(=O)N2C)C1 1500714264 LCAIQECSUWHPLK-RISCZKNCSA-N 315.801 -0.087 30 20 DBED CN(C[C@@H](O)CNCc1cnsn1)C(=O)c1cc(C#N)c[nH]1 1507470935 ODLIFIIBDQEGCJ-NSHDSACASA-N 320.378 -0.039 30 20 DBED C[C@@H](CNC(=O)c1cnn(C)n1)N(C)C(=O)c1cc(C#N)c[nH]1 1508956648 ARAJTGUTQJBION-VIFPVBQESA-N 315.337 -0.095 30 20 DBED CC(C)n1ccc(C(=O)NC[C@@H](O)CNC(=O)[C@@H](C)C#N)n1 1533320502 LICNSVRPYFRYAV-QWRGUYRKSA-N 307.354 -0.169 30 20 DBED C=CCOCC(=O)N[C@@H]1CCCN(C(=O)CNC(=O)O)CC1 1573369080 OCVSIDACYKRXJD-LLVKDONJSA-N 313.354 -0.046 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1[C@@H]2CN(Cc3cnn[nH]3)C[C@@H]21 1574985510 FAHDQQUYSGYQNX-LJISPDSOSA-N 314.393 -0.551 30 20 DBED CN(C)C(=O)CCCC(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[nH]1 1578956491 AKLQGVWRDGGIBV-UHFFFAOYSA-N 317.313 -0.342 30 20 DBED CCNC(=O)CN(CC)c1cnc(-c2nn[nH]n2)c(C#N)n1 1590740152 GTIMYEAQGQSAMC-UHFFFAOYSA-N 301.314 -0.509 30 20 DBED N#CCCCS(=O)(=O)NCc1cncc(-c2nn[nH]n2)c1 1592676165 CFTZWOXVUVVKPS-UHFFFAOYSA-N 307.339 -0.015 30 20 DBED Cc1cc(NC(=O)C(=O)NCC(=O)NCC#N)ccc1C(=O)O 1594313321 IMWXSTVQZVSAIE-UHFFFAOYSA-N 318.289 -0.612 30 20 DBED C[C@@H](CN(C1CC1)S(=O)(=O)N1CCO[C@@H](C#N)C1)C(=O)O 1604159071 KKHGMVGIKJULTA-ONGXEEELSA-N 317.367 -0.359 30 20 DBED COC(=O)[C@@H](CCC(=O)O)NS(=O)(=O)N(C)CCC#N 1606504661 AUEBUOKDSWJHPW-MRVPVSSYSA-N 307.328 -0.927 30 20 DBED C#Cc1ccc(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)O)nc1 1609624004 UEQYYMLRTYYFTP-LLVKDONJSA-N 308.315 -0.613 30 20 DBED CS(=O)(=O)Nc1ccccc1CC(=O)N[C@H]1CNC[C@@H]1C#N 1649851195 LASIPVPVIKDCKK-AAEUAGOBSA-N 322.390 -0.172 30 20 DBED COCCn1cc(NC(=O)N2CC(O)(CC#N)C2)ccc1=O 1649890494 HPNIDRJLYUDATH-UHFFFAOYSA-N 306.322 -0.013 30 20 DBED CN1CCCC[C@H]1C(=O)NC[C@@H]1CCN(CC(=O)NCC#N)C1 1691145979 KXJCKXOQQNUZCE-KBPBESRZSA-N 321.425 -0.451 30 20 DBED CN(CCCNC(=O)[C@H]1C[C@H]2CC[C@H]1O2)CC(=O)NCC#N 1751953471 UEDLYJLZWLNUQP-FRRDWIJNSA-N 308.382 -0.368 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCCN(C(=O)CCOCC#C)C1 1752991219 NIMWOEJATDHLFQ-OAHLLOKOSA-N 319.405 -0.302 30 20 DBED N#CCNC(=O)CN1CC[C@H](CNC(=O)c2ncccc2O)C1 1753122042 HLRHZNHNUFRQAT-LLVKDONJSA-N 317.349 -0.521 30 20 DBED C=CCNC(=O)NC(=O)CN(CCNC(=O)C1CC1)C1CC1 1753150930 UMZFYQDEVGWPNY-UHFFFAOYSA-N 308.382 -0.011 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC(NC(=O)Cc2cnn(CC)c2)C1 1753390914 BFXLFGSHDKFRME-GFCCVEGCSA-N 317.393 -0.616 30 20 DBED C=C1CCC(C(=O)NC[C@@H](O)CNCCS(C)(=O)=O)CC1 1753926666 ZIADEYYSLIIQDY-ZDUSSCGKSA-N 318.439 -0.156 30 20 DBED C=CCN1CC[C@@H](NCCCN(C)C(=O)[C@@H](C)NC(C)=O)C1=O 1754356029 DHVFULMQCFXEDQ-TZMCWYRMSA-N 324.425 -0.264 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CNC(=O)Cn1cncc1C 1754488775 KBTKLFJPAWSZMD-CYBMUJFWSA-N 303.366 -0.869 30 20 DBED CCc1cc(C(=O)NC[C@H]2CCN2CC(=O)NCC#N)nn1C 1754505057 PQDOZMIHPCRUMB-GFCCVEGCSA-N 318.381 -0.574 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@H]1CN(C(=O)c2cc[nH]c2)CCO1 1755000715 PMXCLTJDADWUQD-JSGCOSHPSA-N 318.377 -0.417 30 20 DBED COCC#CCNC[C@H]1CN(C(=O)Cc2ncc[nH]2)CCO1 1755013319 UMFWOBKNTMUMLE-ZDUSSCGKSA-N 306.366 -0.581 30 20 DBED COCC#CCNCC1CC(NC(=O)c2cnn(C)c2N)C1 1755210566 UPVSCOJYANFUDH-UHFFFAOYSA-N 305.382 -0.250 30 20 DBED Cc1cnn(CC(=O)N[C@H](C)[C@H](C)NCC(=O)NCC#N)c1 1755228921 VGYSTHGRLZCITN-NWDGAFQWSA-N 306.370 -0.686 30 20 DBED C=CCN1CC[C@@H](NC[C@@H](O)CN(C)C(=O)C(F)F)C1=O 1755770485 UUKPSNWIAHTACL-NXEZZACHSA-N 305.325 -0.553 30 20 DBED CC(C)C#CC(=O)NCC1=CCN([C@H](C)C(=O)NC(N)=O)CC1 1755886855 VIVDTMLEJWUVBF-GFCCVEGCSA-N 320.393 -0.023 30 20 DBED C=CCOCC(=O)N[C@@H]1CCC[C@H]2CN(C(=O)CC(N)=O)C[C@H]21 1756618973 IIGSKXAGYMDFKF-YNEHKIRRSA-N 323.393 -0.192 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H](O)CN(C)C(=O)c1cnn(C)c1 1756649150 HBLJGCPZGGDKDM-DGCLKSJQSA-N 322.365 -0.993 30 20 DBED C=CCO[C@@H](C)C(=O)NC[C@@H](O)CN(C)C(=O)c1cnn(C)c1 1756650525 SSNCBEJOLVCSJE-WCQYABFASA-N 324.381 -0.440 30 20 DBED C=C[C@H](CC)CC(=O)N[C@@H]1CN(C(=O)CC(=O)NC)C[C@H]1O 1757025320 GHSKICGJHUAXMC-IJLUTSLNSA-N 311.382 -0.587 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)CC(=O)NC 1757308036 HSJCPXLNTVAHGK-UPJWGTAASA-N 323.393 -0.227 30 20 DBED C=CCOCC(=O)NC[C@H]1CC[C@@H](NC(=O)[C@@H]2CCNC2=O)C1 1757341417 WGNRHQUWZJGCRD-YNEHKIRRSA-N 323.393 -0.274 30 20 DBED C=CCCC(=O)N[C@H]1CCN(C(=O)c2nnn(C)c2C)C[C@@H]1O 1757561256 GPBJSBPJSHYVEH-RYUDHWBXSA-N 321.381 -0.219 30 20 DBED C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCCCN3C)C2)C1 1781033124 OQGSWEBBUGVKPE-WMLDXEAASA-N 319.405 -0.066 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cn(C)nc1C)CCO2 1783046999 VDRPILBPSCLFCW-MRXNPFEDSA-N 316.361 -0.195 30 20 DBED C=CCC(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783567652 UWIDJHUNTHBHMC-HNNXBMFYSA-N 306.318 -0.520 30 20 DBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(F)CC1)C2 1800779161 WGVATCFDBRQNCN-DDFAGTSDSA-N 324.308 -0.834 30 20 DBED CC[C@H](C)[C@H](O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C#CC(=O)O 1847842539 MSZVNPGKTSQQRN-ASHKBJFXSA-N 322.361 -0.317 30 20 DBED C#CCNC(=O)[C@@H](C)OC(=O)c1cccc(S(=O)(=O)NC)c1 23286936 QUIITVVHRCHAHT-SNVBAGLBSA-N 324.358 -0.111 30 20 DBED C=CCn1nnnc1SCC(=O)NC(=O)N[C@H](C)COC 52895283 PRULUCDRJBYTOY-MRVPVSSYSA-N 314.371 -0.188 30 20 DBED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC[C@@H]2C(N)=O)CC1 92618568 PQXMHKIWGYCKLI-KGLIPLIRSA-N 321.425 -0.372 30 20 DBED Cc1ccn(CC(=O)N2CCCC[C@H]2C(N)=O)c(=O)c1C#N 163841943 WSAIPAZRYPVGNP-LBPRGKRZSA-N 302.334 -0.105 30 20 DBED CC[C@@H](CC#N)NC(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1 183969896 GTNMCRDCZSSNSJ-ZJUUUORDSA-N 313.383 -0.105 30 20 DBED C=C1CCN([C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1 264430919 CJYAQXRLMWQHKE-JTQLQIEISA-N 306.366 -0.111 30 20 DBED CN(CCC#N)C(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 266303317 UMZVTIXPAHHHPA-WFFHOREQSA-N 305.334 -0.089 30 20 DBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H]1COCCO1 268394271 QJUVBESAUFAECV-DGCLKSJQSA-N 317.349 -0.199 30 20 DBED C[C@@H](CO)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 269318291 BWOYBVQVVMSDDW-VHSXEESVSA-N 311.363 -0.278 30 20 DBED C=CCCS(=O)(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)OC 274943036 RIIZJYJESOHCEJ-SECBINFHSA-N 311.381 -0.836 30 20 DBED CC#CCNC(=O)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C 276080673 DLWRGRQFGKXVJJ-UHFFFAOYSA-N 300.318 -0.045 30 20 DBED CCOC(=O)CO/N=C(/C(=O)N1CCO[C@@H](C)C1)c1cc[nH]n1 276728982 SVUKOHNXWIPIBL-DLPJZNJTSA-N 324.337 -0.059 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@](C)(O)CC2)C1=O 279818023 AHXWLBKTQBUNIM-OAHLLOKOSA-N 323.349 -0.273 30 20 DBED C#CCCS(=O)(=O)NCCCn1nc2n(c1=O)CCCC2 281071099 ANODLKHMTKQIRL-UHFFFAOYSA-N 312.395 -0.286 30 20 DBED C=CCSCCNC(=O)C(=O)NC[C@H]1CN(C)CCN1C 285522988 AIVOUWMXGJPQNX-LBPRGKRZSA-N 314.455 -0.616 30 20 DBED C#CCOc1ccc(CNC(=O)Cn2ncn(C)c2=O)cc1 297049216 OTLSNURJDLVOBN-UHFFFAOYSA-N 300.318 -0.090 30 20 DBED COC(=O)[C@H]1CN(CC(=O)N(CCC#N)CCC#N)CCO1 317047572 WHQZXXFCBZWATM-GFCCVEGCSA-N 308.338 -0.484 30 20 DBED Cc1nccc(N=C(O)N(CCO)CCN2CCOCC2)n1 330140598 XCIWVBRLFOXZSE-UHFFFAOYSA-N 309.370 -0.043 30 20 DBED CS(=O)(=O)CC(=O)NCC/N=C(/O)NC1CCCCC1 330523589 NAFFSUXITYRTFY-UHFFFAOYSA-N 305.400 -0.017 30 20 DBED CC(C)N1C[C@@H](N/C(O)=N/CCNS(C)(=O)=O)CC1=O 331182428 MBSUJIWZEGIUQF-VIFPVBQESA-N 306.388 -0.952 30 20 DBED CNC(=O)C/N=C(/O)c1cc(S(=O)(=O)N(C)C)c(C)o1 331307585 SHAKKSPKZKLATP-UHFFFAOYSA-N 303.340 -0.111 30 20 DBED CN(C[C@@H]1CCC[C@H]1O)S(=O)(=O)N1CCO[C@@H](C#N)C1 336955398 YLRSYZVZYQZGEU-SDDRHHMPSA-N 303.384 -0.452 30 20 DBED CN(C)C[C@@](C)(O)CNC(=O)C(=O)Nc1sccc1C#N 340135457 SWMMXGQVAXEJDS-ZDUSSCGKSA-N 310.379 -0.013 30 20 DBED C=CC[C@H](CO)CNC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 342164027 PBJCJOIHFXMMPR-QPKSUZNQSA-N 322.361 -0.550 30 20 DBED C[C@@H](CO)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N 359127628 FNANNJLGXSWZCO-SECBINFHSA-N 307.354 0.193 30 20 DBED CC[C@H](NS(=O)(=O)CCCC#N)C(=O)N1CCOCC1 437286580 GOJNRBUOTFHOJQ-NSHDSACASA-N 303.384 -0.153 30 20 DBED CCS(=O)(=O)C1CN(C(=O)CNc2ccc(C#N)cn2)C1 456312742 JTKFPAYPFUFXCV-UHFFFAOYSA-N 308.363 0.011 30 20 DBED C#CCN1CCN(C(=O)CN2CCN(C3CCC3)CC2)CC1 490779155 RMJVBFHYJWRFSU-UHFFFAOYSA-N 304.438 -0.066 30 20 DBED C#CCNC(=O)C1CCN(S(=O)(=O)[C@H](C)COC)CC1 491047054 SSHWOBRDWPGBLY-LLVKDONJSA-N 302.396 -0.188 30 20 DBED COc1cc(C#N)ccc1NC(=O)C(=O)NCCn1ncnn1 547417145 QBGYAXHSSSKSSY-UHFFFAOYSA-N 315.293 -0.692 30 20 DBED C[C@@H]1CC[S@](=O)CCN1c1c(C#N)c(=O)n(C)c(=O)n1C 562421021 DHNCEDCALUGKSB-BTKVJGODSA-N 310.379 -0.697 30 20 DBED Cn1c(NC2[C@H]3CC[C@H]2CC(N)C3)c(C#N)c(=O)n(C)c1=O 563663362 KODQRQVGJSTLGB-RKVXJDFWSA-N 303.366 -0.117 30 20 DBED N#Cc1c[nH]c(=O)n([C@H]2CCN(CC(F)(F)F)C2=O)c1=O 567859457 CUARIHKKANZERZ-ZETCQYMHSA-N 302.212 -0.256 30 20 DBED N#Cc1cc(F)ccc1CS(=O)(=O)N1C[C@@H](CO)[C@@H](O)C1 573386802 PKMJHUCOPRFYIP-AAEUAGOBSA-N 314.338 -0.188 30 20 DBED Cn1cc(C#N)c(NC(=O)N2CC[C@@H](CS(C)(=O)=O)C2)n1 590121563 NLEHYZJGKLOCED-SECBINFHSA-N 311.367 0.190 30 20 DBED CC[C@@H](CNS(C)(=O)=O)NC(=O)N1CC[C@@](F)(C#N)C1 590944184 RGHKBBHVQXFDEE-GXSJLCMTSA-N 306.363 -0.039 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@H](CCF)C(=O)O 594573228 LHCMFNUJKUCAGE-SECBINFHSA-N 311.335 -0.504 30 20 DBED COC(=O)C(C)(C)n1cc(NC(=O)NCC(=O)NCC#N)cn1 597108569 QWQTVJHNYZQHRM-UHFFFAOYSA-N 322.325 -0.448 30 20 DBED CC#CCNCc1cn(CC(=O)NCC(=O)OC(C)(C)C)nn1 603252833 RSCWGAMCYOOPRJ-UHFFFAOYSA-N 321.381 -0.151 30 20 DBED C=C[C@H](C(=O)OC)N1CCN(C(=O)C(=O)N2CCCC2)CC1 619716349 LVDHMZPDFXAQJD-GFCCVEGCSA-N 309.366 -0.519 30 20 DBED C=C[C@@H](C(=O)OC)N(CC)CC(=O)N[C@H]1CCS(=O)(=O)C1 619716687 VYXZBJZYWFNJLG-QWRGUYRKSA-N 318.395 -0.661 30 20 DBED C=CCn1c(-c2cn[nH]c2)nnc1N1CCO[C@H](C(N)=O)C1 624845429 ABPIUVOMLBKAQQ-JTQLQIEISA-N 303.326 -0.455 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC[C@H]2CCCCN2)C1=O 642905601 QBNOMFRQYBLZQZ-CHWSQXEVSA-N 322.409 -0.510 30 20 DBED CC#CC[C@@H](CO)NC(=O)N[C@H](CC)C(=O)N1CCOCC1 645351995 IXGLACLUJNPIBH-QWHCGFSZSA-N 311.382 -0.303 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(C/C=C/C(=O)OCC)c1=O 755626407 LNPCWIOOADKOKR-BQYQJAHWSA-N 321.333 -0.337 30 20 DBED C=CCNC(=O)CNC(=O)NCCNc1ncccc1C#N 776958759 UEAPREDVCYBARV-UHFFFAOYSA-N 302.338 -0.033 30 20 DBED C#CCOCCNS(=O)(=O)c1ccc(S(N)(=O)=O)cc1 784456754 BNROMCHJTIAAMN-UHFFFAOYSA-N 318.376 -0.738 30 20 DBED C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N(C)C[C@H](O)CO 785115325 KFXZBXNYAMHSIA-QWRGUYRKSA-N 321.333 -0.272 30 20 DBED C#CCOCCNC(=O)C(=O)Nc1c(OC)ncnc1N(C)C 785162964 BAVZJEBCUZTUET-UHFFFAOYSA-N 321.337 -0.744 30 20 DBED C[C@@H](OC(=O)C1(S(C)(=O)=O)CC1)C(=O)N(C)CCC#N 795871932 MCOZOZJECJWAKQ-SECBINFHSA-N 302.352 -0.133 30 20 DBED C#CCCCS(=O)(=O)NC[C@H]1CC[C@@H](C(=O)N(C)C)O1 805053887 FEOBTGWQSOGPNG-NEPJUHHUSA-N 302.396 -0.045 30 20 DBED C#C[C@@H](NC(=O)C(=O)NCC(C)(C)C(=O)NC)[C@H]1CCCO1 809308281 HATKHFSNSNTSAM-GHMZBOCLSA-N 309.366 -0.828 30 20 DBED C[C@@](C#N)(CC(=O)O)C(=O)N1CCN(CC(=O)NC2CC2)CC1 819823424 UQXWHHJKWAEWPJ-HNNXBMFYSA-N 322.365 -0.586 30 20 DBED COC[C@](C)(C#N)NC(=O)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 826147785 MBFXPKKFLVAKGM-FZMZJTMJSA-N 316.321 -0.055 30 20 DBED CCOC(=O)C1CCN(C(=O)CN(CC#N)CC(=O)O)CC1 829838532 YXTVBETYVDXSHS-UHFFFAOYSA-N 311.338 -0.302 30 20 DBED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2C[C@H]3C[C@H]2C(=O)O3)CC1 830688953 YQURZWFSKCUULB-HZSPNIEDSA-N 320.393 -0.322 30 20 DBED O=S(=O)(O[C@H]1CNOC1)c1ccccc1Cn1cncn1 845932658 ITQVZXPCPGLMCC-NSHDSACASA-N 310.335 -0.065 30 20 DBED C#CCN(CC(=O)O)S(=O)(=O)c1cnn(CC(F)F)c1 849219343 QEOLODTURWHYNO-UHFFFAOYSA-N 307.278 -0.143 30 20 DBED CCCCCNC(=O)[C@H](C#N)C(=O)CN1CC(=O)N(C)C1=O 860463772 HEZHYTWKBWXSQL-SNVBAGLBSA-N 308.338 -0.104 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@@H](C(=O)OC)CC[C@H]1C(=O)OC 862824372 MHLHELRYLAKXCU-WOPDTQHZSA-N 311.334 -0.022 30 20 DBED C#CC[C@H](CCOC)NC(=O)[C@H]1CCCN1S(C)(=O)=O 876076053 YZQCASFNZYZNEA-VXGBXAGGSA-N 302.396 -0.045 30 20 DBED C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H]2CO)cc1 889129874 LJYXNZBWOJCJPB-GFCCVEGCSA-N 308.359 -0.195 30 20 DBED C#CC1(O)CN(C(=O)NC2CCN([C@H]3CCC[C@@H]3O)CC2)C1 893743299 PODFVYAUXHMWDP-KBPBESRZSA-N 307.394 -0.246 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)NOCC2CC2)CC1 895043017 DORGOYKJNSVGII-UHFFFAOYSA-N 316.383 -0.877 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C=C[C@H]2O1 913768149 XEUZBFJWDNYOIL-TXWLSFLZSA-N 318.329 -0.063 30 20 DBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H](NC(=O)C(N)=O)C1 942309079 LFFWHVODFIZSGN-WOPDTQHZSA-N 309.366 -0.440 30 20 DBED CN1C[C@H](C(=O)NC2CCN(C(=O)C#CC3CC3)CC2)NC1=O 946686717 LFNDADZVDNQAEJ-CYBMUJFWSA-N 318.377 -0.469 30 20 DBED CO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1NC(=O)c1ccc(O)nc1 946717339 NEZANBDNHKJUKX-YUSALJHKSA-N 318.333 -0.098 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)c1c[nH]c(=O)cn1)CCO2 949166939 HUXOJPXJGMTEAZ-UHFFFAOYSA-N 316.361 -0.290 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H](NC(=O)C2CS(=O)(=O)C2)C1 951867936 NGMSXJMROHSSTG-MWLCHTKSSA-N 313.379 -0.702 30 20 DBED CN1CC[C@@H](C(=O)NC[C@@H]2CCCN2C(=O)C#CC2CC2)C1=O 956002245 JHHMVTDQEMEWTD-KBPBESRZSA-N 317.389 -0.015 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@@H](CNC(=O)C2CS(=O)(=O)C2)C1 958095808 CBGFTGKADZCRPB-WCQYABFASA-N 316.423 -0.594 30 20 DBED CC#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cnn3c2CCC3)C1 958120908 BRTOIQHENDAZTC-SWLSCSKDSA-N 302.378 -0.125 30 20 DBED C=CCCN1C[C@@H](O)[C@H](CNC(=O)c2cc(=O)n(C)cn2)C1 958150206 ZWKTUNUNPCBOGA-DGCLKSJQSA-N 306.366 -0.621 30 20 DBED C=CCN1C[C@@H](O)[C@H](CNC(=O)c2ccc(C(N)=O)cc2)C1 958661182 FEZAJWIFDDJCGZ-ZIAGYGMSSA-N 303.362 -0.006 30 20 DBED Cn1nnc(C(=O)N[C@H]2[C@@H]3CN(Cc4ccc(C#N)cc4)C[C@@H]32)n1 961504630 KJRBHIPBLJIGSK-WDNDVIMCSA-N 323.360 -0.058 30 20 DBED C=C(C)CN1C[C@@H]2C(NC(=O)CN3CCC(=O)NC3=O)[C@H]2C1 962219196 RTENYRGDXBRXQD-QWRGUYRKSA-N 306.366 -0.449 30 20 DBED C=C(C)CCN1C[C@H]2C(NC(=O)[C@H]3CCS(=O)(=O)N3)[C@@H]2C1 962609343 SMBNQAFAZLLVGB-IJLUTSLNSA-N 313.423 -0.309 30 20 DBED C=CC(C)(C)C(=O)N1CC(N2CCN(C(=O)C(N)=O)CC2)C1 967251978 HBRIUYXIUSVHKE-UHFFFAOYSA-N 308.382 -0.961 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](N(C)C(=O)C(N)=O)CC1 967636815 SLSXQDAGSKFNAZ-UPJWGTAASA-N 323.393 -0.098 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](NCCN2CCCS2(=O)=O)C1 967942667 DTRQZELKUHORDZ-VXGBXAGGSA-N 314.411 -0.628 30 20 DBED C#CCCN1CC[C@@H](C)[C@@H](NC(=O)C2CC(=O)NC(=O)C2)C1 968418977 PRJSBMARIBMAOW-YPMHNXCESA-N 305.378 -0.111 30 20 DBED C#CCCN1CC[C@@H](C)[C@H](NC(=O)CN2C(=O)CNC2=O)C1 968626638 BZZYVCAVCQAIOK-VXGBXAGGSA-N 306.366 -0.612 30 20 DBED N#CCN1CCO[C@@]2(CCN(C(=O)[C@H]3CCCC(=O)N3)C2)C1 972424633 KVLFXSJBCFAVFE-DOMZBBRYSA-N 306.366 -0.518 30 20 DBED C=CCN1CCO[C@]2(CCN(C(=O)[C@H]3CCN(C)C3=O)C2)C1 972506922 ROFJPGFAASGEIH-XJKSGUPXSA-N 307.394 -0.046 30 20 DBED N#CCN1CCO[C@@]2(CCN(C(=O)c3cc(C(N)=O)c[nH]3)C2)C1 972614031 HSHYFJDJAWSPPB-HNNXBMFYSA-N 317.349 -0.446 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)CCc3cnn[nH]3)C[C@H]21 974986637 KRAJRPWRWBTXGU-DMDPSCGWSA-N 316.365 -0.044 30 20 DBED C=C(C)CN1C[C@H](NC(=O)c2cn(CC(N)=O)nn2)C(C)(C)C1 977620123 CRQQQJWZWFANFG-LBPRGKRZSA-N 320.397 -0.220 30 20 DBED C=C(C)CN1C[C@H]2[C@H](CNC(=O)[C@@H]3CCS(=O)(=O)N3)[C@H]2C1 979072503 KKGDXTWGMBOGEY-RVMXOQNASA-N 313.423 -0.452 30 20 DBED C#CCCN1CCCC2(C1)CN(C(=O)C[C@@H]1CC(=O)NC1=O)C2 982176103 CDEWYYJVTKUYPN-ZDUSSCGKSA-N 317.389 -0.013 30 20 DBED C[C@@H](C(=O)NC1CN(C(=O)c2c[nH]c(C#N)c2)C1)n1cncn1 990915014 LIYLTCZWTDTUQK-VIFPVBQESA-N 313.321 -0.320 30 20 DBED C#CCN1CC[C@]2(NC(=O)Cn3ncn(C)c3=O)CCC[C@H]12 991467911 AJWUZCULBOFXKO-SWLSCSKDSA-N 303.366 -0.672 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN(C(=O)c2cn(C)cn2)C1 994752326 RHSOPVVLBOLDQP-AWEZNQCLSA-N 315.377 -0.542 30 20 DBED C[C@H](C#N)C(=O)N1CC(NC(=O)c2cnc3c(c2)nnn3C)C1 996182654 GVMLPWSCMQUSDK-MRVPVSSYSA-N 313.321 -0.536 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)[C@@H](C)n3cncn3)C2)nc1 997086929 CEQULWZPXDVBKV-LLVKDONJSA-N 324.344 -0.144 30 20 DBED C=CCN1CC[C@@H](N[C@@H]2CCCN(C(=O)CC(N)=O)C2)C1=O 998782678 XLSQGGNFPAOJKK-VXGBXAGGSA-N 308.382 -0.771 30 20 DBED C#Cc1cncc(C(=O)NC2CN(C(=O)Cn3ccnc3)C2)c1 999320376 UGCOUUNWQDJZEO-UHFFFAOYSA-N 309.329 -0.100 30 20 DBED C#CCN1CCC(CNC(=O)C2CC3(C2)NC(=O)NC3=O)CC1 1001920216 GRIVWKWQRCKYEO-UHFFFAOYSA-N 318.377 -0.564 30 20 DBED C[C@H](C#N)C(=O)N1CC(CNC(=O)c2cccc(C(N)=O)n2)C1 1002668158 KTWRBBIKDSIGTQ-SECBINFHSA-N 315.333 -0.472 30 20 DBED C[C@H](NC(=O)c1cnn[nH]1)C1CN(C(=O)c2c[nH]c(C#N)c2)C1 1006399506 MMZBYMMECOMOHI-QMMMGPOBSA-N 313.321 -0.105 30 20 DBED Cc1nc(O)nc(O)c1CCC(=O)N1CC[C@H](NCC#N)C1 1019208902 WKHYFPKNQBKWFB-JTQLQIEISA-N 305.338 -0.157 30 20 DBED CC#CCN1CCC[C@H]1CNC(=O)[C@H]1CN(C(C)=O)CCO1 1028295535 PZZUSNWEVLAWDP-LSDHHAIUSA-N 307.394 -0.162 30 20 DBED C#CCCN1CCO[C@@H](CNC(=O)c2cccn3nnnc23)C1 1035387422 NKRHEGYIPUTJQF-LBPRGKRZSA-N 314.349 -0.422 30 20 DBED C#CCN1CCO[C@H](CNC(=O)[C@@H]2C[C@H]2c2cncn2C)C1 1035518198 LFZYOROPHJATSR-MGPQQGTHSA-N 302.378 -0.026 30 20 DBED C=CCN1CCO[C@@H](CNC(=O)[C@H]2CCCS(=O)(=O)C2)C1 1035531811 UFNBVXSKUZQINY-STQMWFEESA-N 316.423 -0.186 30 20 DBED N#CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)Cn1nc2ccccn2c1=O 1037525866 LNOGEWFITLDSKE-UHIISALHSA-N 312.333 -0.792 30 20 DBED N#CCN1CC[C@@H]1CNC(=O)[C@H]1COCCN1CC(F)F 1038552970 OOJYPOGLQXIJDT-GHMZBOCLSA-N 302.325 -0.334 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCN1Cc1nnnn1C 1038708455 PXUWFJRXEXQZPE-UTUOFQBUSA-N 306.370 -0.508 30 20 DBED N#Cc1nccnc1N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCCO2)C1 1040976815 WTRDQAKQLTVWMI-UPJWGTAASA-N 317.349 -0.417 30 20 DBED N#Cc1cncc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC3(F)F)C2)n1 1041012816 WUOFMRCFLGTVBX-OPRDCNLKSA-N 309.276 -0.331 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(O)(CNC(=O)[C@H]2CCCO2)C1 1041351292 YKSBBNNYIZMWKV-BXUZGUMPSA-N 312.366 -0.818 30 20 DBED C=CCCO[C@H](C)C(=O)NCC1(O)CN(C(=O)[C@H](C)OC)C1 1041874112 OUXUALGGJWFWAV-NEPJUHHUSA-N 314.382 -0.308 30 20 DBED C#CCN1CC[C@H]2CCN(C(=O)CN3C(=O)CCC3=O)C[C@@H]21 1042346251 QRPINBUHWIVIBY-STQMWFEESA-N 303.362 -0.309 30 20 DBED C=CCN1CC[C@@H]2CCN(C(=O)c3cn(CC(N)=O)nn3)C[C@@H]21 1042367334 FVFVSQPEESLNEE-YPMHNXCESA-N 318.381 -0.514 30 20 DBED CC(C)(O)CC(=O)N1CC(O)(CNC(=O)c2c[nH]c(C#N)c2)C1 1042669488 OWTKLDZDJBMBSJ-UHFFFAOYSA-N 320.349 -0.650 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)c2cnn(C)c2)C1 1042803202 UNVAHOMQTYHCFP-UHFFFAOYSA-N 304.350 -0.473 30 20 DBED Cc1cc(C(=O)N2CC(O)(CNC(=O)C#CC(C)C)C2)ncn1 1042936431 IDNOSUIEKBJDCX-UHFFFAOYSA-N 316.361 -0.252 30 20 DBED O=C(C#CC1CC1)NCC1(O)CN(C(=O)Cc2ccoc2)C1 1042959074 VFSCTENQGVCTGH-UHFFFAOYSA-N 302.330 -0.075 30 20 DBED CC#CCCCC(=O)N1CC(O)(CNC(=O)C(C)(C)C(N)=O)C1 1043470311 SIARRPBKBOSWHO-UHFFFAOYSA-N 323.393 -0.619 30 20 DBED N#Cc1cncc(N2C[C@H](O)[C@H](NC(=O)C3=CCOCC3)C2)n1 1043918165 NSZVHSNMPJPAPV-OLZOCXBDSA-N 315.333 -0.639 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CN(c3ncccn3)C[C@@H]2O)nn1 1044633038 CGUBNURWUDVEPB-PWSUYJOCSA-N 315.337 -0.766 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(O)(CNC(=O)Cc2cnoc2)C1 1045110578 QPQVXFVEQZWULK-CQSZACIVSA-N 323.349 -0.766 30 20 DBED C#CCCCCC(=O)N1CC(O)(CNC(=O)c2ccncn2)C1 1045165182 LSBJYLJJDFVLKD-UHFFFAOYSA-N 316.361 -0.027 30 20 DBED C=CCCCC(=O)NCC1(O)CN(C(=O)[C@H]2CCCC(=O)N2)C1 1045458382 BMQMNQLQLSPQJO-GFCCVEGCSA-N 323.393 -0.299 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)Cc2cnccc2OC)C1 1047425085 FKWNQJQTKBMMIN-KBPBESRZSA-N 303.362 -0.231 30 20 DBED C=CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2nc3ncccn3n2)C1 1047568486 HZSCDUMTSQLOKG-RYUDHWBXSA-N 316.365 -0.183 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(N(C)C)nn2)C1 1047598968 CCCHPGRNIGVALP-KBPBESRZSA-N 317.393 -0.317 30 20 DBED C#CCO[C@H](C)C(=O)N(C)[C@H]1CN(C(=O)c2ccco2)C[C@@H]1O 1048843900 ABUWHBBSJDSJJN-AGIUHOORSA-N 320.345 -0.038 30 20 DBED CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H]1NC(=O)NC1=O 1049527458 QIXCVMCKBCLKQB-YNEHKIRRSA-N 318.377 -0.327 30 20 DBED C#CCN1C[C@@H]2CCCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)[C@@H]2C1 1050138881 YLKOKGBMTMTDHT-RFQIPJPRSA-N 305.378 -0.425 30 20 DBED C=CCOCC(=O)N1CC[C@@H]([C@@H](C)NC(=O)c2ncn(C)n2)C1 1050298746 XVEYGIKSXNVKNG-VXGBXAGGSA-N 321.381 -0.016 30 20 DBED C=C(Cl)CN1CCOC[C@@H]1CNC(=O)[C@@H]1COCCN1C 1050878939 DOKXIWIVHWKJHD-STQMWFEESA-N 317.817 -0.114 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H](CNCc2nnnn2C2CC2)C1 1051494085 DMLIHYDKPGTXJE-PWSUYJOCSA-N 319.369 -0.515 30 20 DBED N#Cc1cccc(CNC[C@@H]2CN(C(=O)CC(N)=O)CCO2)c1 1051501259 BDOZFRUTLFQPLL-CQSZACIVSA-N 316.361 -0.249 30 20 DBED CN1CC[C@H](C(=O)N[C@@H]2CCCN(CC#N)CC2)S1(=O)=O 1052785666 KATUCDOEUHELJR-VXGBXAGGSA-N 314.411 -0.485 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2cnn[nH]2)C[C@@H]1C 1052922779 XXDYOCKWSCFAQU-WDEREUQCSA-N 307.354 -0.168 30 20 DBED C=CCN1CC2(C1)CN(C(=O)CCn1ncn(C)c1=O)CCO2 1053353822 BKCTZNYJAGEYBZ-UHFFFAOYSA-N 321.381 -0.929 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)[C@@H](OC)[C@H]1CCOC1)CCO2 1053357571 WTTMWQOIZGYRRY-GJZGRUSLSA-N 322.405 -0.026 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2COC3(C2)CN(CCOC)C3)nn1 1053950100 UTXVMJRFNWIRCJ-LBPRGKRZSA-N 321.381 -0.316 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H]2CN(C(=O)CC3CC3)C[C@@H]2C1 1055123184 OZBLVPKEZQFZCM-OKILXGFUSA-N 317.389 -0.157 30 20 DBED CC(C)[C@@H](O)C(=O)NCCN1CCC(NC(=O)[C@@H](C)C#N)CC1 1055570390 LTIPJAMQZRRKMP-GXTWGEPZSA-N 324.425 -0.140 30 20 DBED Cc1cc(C#N)nc(N2CCN(C(=O)[C@H]3COC(=O)N3)CC2)n1 1055785689 NLKOPMPZPLADCS-LLVKDONJSA-N 316.321 -0.586 30 20 DBED C=CCO[C@H](C)C(=O)N[C@]1(CO)CCCN(C(=O)COC)C1 1055986290 IBVDTQPFUQGXGM-IUODEOHRSA-N 314.382 -0.306 30 20 DBED N#Cc1ccc(N2CCN(C(=O)[C@@H]3CNC(=O)N3)CC2)cn1 1055998584 JXKVURJGBIOPPP-LBPRGKRZSA-N 300.322 -0.717 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@](CO)(NC(=O)c2cnn[nH]2)C1 1056003636 YOQWCYJUZCYHRB-ZANVPECISA-N 306.326 -0.952 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)c1cncs1 1057104463 YIUIOFSXKYUSKR-UHFFFAOYSA-N 313.379 -0.104 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)c1c[nH]c(C#N)c1 1057193277 CSBHHSRLLXXOOH-UHFFFAOYSA-N 320.349 -0.360 30 20 DBED C#CCCCCC(=O)N(CCO)CCNC(=O)[C@@H]1CCC(=O)N1 1057388332 NESQMKCHCJATPZ-ZDUSSCGKSA-N 323.393 -0.604 30 20 DBED C=C[C@@](C)(O)CC(=O)N(CCO)CCNC(=O)COCCC 1057450161 MHPQILOCZXXETL-OAHLLOKOSA-N 316.398 -0.323 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)[C@@H]1CCN(C)C1 1057631795 CNGKKZMINDZAKQ-CQSZACIVSA-N 309.410 -0.321 30 20 DBED Cc1cc(N2CC[C@@H](NC(=O)Cn3cnnn3)C2)c(C#N)cn1 1058307983 DJIGQKCBTSVSQP-GFCCVEGCSA-N 312.337 -0.357 30 20 DBED N#Cc1nccc(N2CC[C@@H](NC(=O)[C@@H]3CCNC(=O)C3)C2)n1 1058336104 NJDAIBJDJXZVBR-GHMZBOCLSA-N 314.349 -0.431 30 20 DBED CN1C[C@H](C(=O)N[C@H]2CCN(c3ccc(C#N)nc3)C2)NC1=O 1058504192 JEMLLAFZROKXNR-WCQYABFASA-N 314.349 -0.328 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)c1ccc(=O)n(C)c1 1058652845 GNSVPLMNNUOVFT-LLVKDONJSA-N 320.349 -0.904 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCOC[C@H]1CNC(=O)c1cn[nH]c1 1061332255 UXTFVVDNQAGPGX-DOMZBBRYSA-N 322.365 -0.306 30 20 DBED Cn1cnc(C(=O)NC[C@@H]2CCCN2c2cnc(C#N)cn2)n1 1061348989 PHLXHDINEUGSKG-NSHDSACASA-N 312.337 -0.124 30 20 DBED C#CCCCC(=O)NC[C@@H]1COCCN1C(=O)Cc1nc[nH]n1 1061539121 XKSQSPCVPLEQNQ-GFCCVEGCSA-N 319.365 -0.506 30 20 DBED Cc1nonc1CC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H](C)C#N 1061847480 LFUGKELKNXTDSI-ONGXEEELSA-N 321.337 -0.576 30 20 DBED C=CCOCC(=O)NC1(CNC(=O)[C@H]2CCC(=O)N2C)CCC1 1064131882 CCOMQUJABCFWCS-GFCCVEGCSA-N 323.393 -0.035 30 20 DBED N#Cc1cncc(N2CCC[C@]3(CCN(C(=O)C(N)=O)C3)C2)n1 1064567254 HXSZWUBWCIHYCP-HNNXBMFYSA-N 314.349 -0.348 30 20 DBED CCNC(=O)CC(=O)N1CCO[C@H](CNC(=O)[C@@H](C)C#N)C1 1065066877 FATUHATXWBLPPO-WDEREUQCSA-N 310.354 -0.984 30 20 DBED C[C@H]1CN(C(=O)Cc2ncc[nH]2)C[C@@H]1N=c1cc[nH]c(C#N)n1 1067140386 TWKVZLCYDIQQHK-QWRGUYRKSA-N 311.349 -0.005 30 20 DBED CCc1nc(C#N)cc(N2CC[C@@H](NC(=O)C(N)=O)C[C@H]2C)n1 1067565106 HGIMRSOJRIVOOH-NXEZZACHSA-N 316.365 -0.131 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCOC2(C1)CN(C(=O)COC)C2 1068388347 ANPKXJKULMSXAA-AWEZNQCLSA-N 312.366 -0.600 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1COC2(C1)CN(C(=O)Cc1ccon1)C2 1069002299 DGDQSMGADCTICJ-CMPLNLGQSA-N 318.333 -0.137 30 20 DBED C#CCCN1CCn2ncc(CNC(=O)c3cnn(C)n3)c2C1 1069877584 COPSKCYKSARZKZ-UHFFFAOYSA-N 313.365 -0.220 30 20 DBED COc1cc(C(=O)N[C@@H]2CN(CC#N)C[C@@H]2n2ccnn2)on1 1069911985 HJXPBQJQPYOTEJ-ZJUUUORDSA-N 317.309 -0.546 30 20 DBED N#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)C2=CCOCC2)C1 1069913901 HMRLFPMDNKXYHL-OLZOCXBDSA-N 302.338 -0.510 30 20 DBED C#CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@]2(F)CCOC2)C1 1070006972 RPCMSRTWAKVLOC-VNHYZAJKSA-N 321.356 -0.229 30 20 DBED C=C(C)CN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H]2CCC(=O)N2)C1 1070079840 WCLYFQXCYXUGNE-XQQFMLRXSA-N 318.381 -0.526 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)Cc2cnc[nH]2)CC1 1071004921 WPFGDMWEJFZGEG-UHFFFAOYSA-N 305.382 -0.211 30 20 DBED C=C(Cl)CN1CC[C@@]2(C1)CN(C(=O)C(N)=O)C[C@H](C)O2 1071206685 NUHSROWXZUPANM-GXFFZTMASA-N 301.774 -0.084 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(C(=O)c2cnnn2C)C[C@@H]1C 1072007548 SRUZYADXLXKCHV-NWDGAFQWSA-N 321.381 -0.016 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)C1(C(N)=O)CC1 1072039298 PTNVPASAMVZHHG-ZYHUDNBSSA-N 303.362 -0.372 30 20 DBED CC(C)OCC(=O)N1CC(N2CCN(C(=O)[C@H](C)C#N)CC2)C1 1073596969 MVHCQBQYWCPTQU-CYBMUJFWSA-N 322.409 -0.074 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)c3cc4n(n3)CCO4)C[C@H]21 1074266235 HBEYSQOBBHRPKR-ZIAGYGMSSA-N 316.361 -0.176 30 20 DBED C[C@@H]1C[C@@H](NC(=O)CC(N)=O)CCN1C(=O)c1cc(C#N)c[nH]1 1074908193 WIRMUZZGNAYVFA-KOLCDFICSA-N 317.349 -0.129 30 20 DBED C[C@@H](CCNC(=O)C#CC1CC1)NC(=O)CN1CCOCC1=O 1076432542 VHYDAAQHDYLXHT-LBPRGKRZSA-N 321.377 -0.730 30 20 DBED C#CCCCC(=O)N[C@@H](C)CCNC(=O)CN1C(=O)CCC1=O 1076454853 NYNJZMICEVVQBU-LBPRGKRZSA-N 321.377 -0.050 30 20 DBED C#CCOCCC(=O)NCC[C@H](C)NC(=O)[C@H](C)CC(N)=O 1076507426 GLZDTHPIPBGTBK-NEPJUHHUSA-N 311.382 -0.451 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCN(C)C2=O)C1 1077190523 GZYSNBQORCJQCQ-IJLUTSLNSA-N 315.801 -0.231 30 20 DBED N#Cc1ccccc1CN1C[C@@H](O)[C@H](NC(=O)c2cnn[nH]2)C1 1077287148 KXNNWFCZWKXIKS-ZIAGYGMSSA-N 312.333 -0.349 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)Cc2ccc(NC(C)=O)cc2)C1 1077321630 FGJORCWGVXWXBV-HZPDHXFCSA-N 315.373 -0.018 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCN(C(C)=O)C2)C1 1077333609 MMEXQKBIQFZBNM-RRFJBIMHSA-N 309.410 -0.018 30 20 DBED C[C@@H](CCNC(=O)[C@H](C)C#N)NC(=O)CCNS(C)(=O)=O 1078135353 XRVUGLAXIOXOTR-ZJUUUORDSA-N 318.399 -0.904 30 20 DBED CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)c2cn(C)c(=O)cn2)C1 1080413266 UVYSMVHOBOWPEJ-JTQLQIEISA-N 317.349 -0.387 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2ccc(O)nn2)C1 1081218524 VDONPYSLVKSQPX-CMPLNLGQSA-N 320.349 -0.303 30 20 DBED N#CCSCC(=O)NC[C@@H]1CN(C(=O)c2ccon2)C[C@H]1O 1081285767 CHNDRTUUGNIKBY-MWLCHTKSSA-N 324.362 -0.520 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)c2cnnn2CC)C[C@H]1O 1081335068 GWMGLQDGHNOXBJ-DGCLKSJQSA-N 321.381 -0.187 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H]1CN(C(=O)CCCC)C[C@H]1O 1081416127 BMRXOSZUZQRTOG-CHWSQXEVSA-N 323.393 -0.748 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(C(=O)C=C(C)C)C[C@H]1O 1081486718 WEBRKFXTXNEYBG-ZIAGYGMSSA-N 308.378 -0.072 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cnnn1CC 1083074365 QXRWJMUGMASRMM-UONOGXRCSA-N 303.366 -0.154 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CCn2ccnc2C1 1083125068 CJPXHQUJVSKIRW-QLFBSQMISA-N 314.389 -0.010 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCCCS2(=O)=O)C1 1083522119 UPGZWBBPUKOMRW-AGIUHOORSA-N 314.407 -0.862 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H]1C[C@H](N[C@@H](CC)C(N)=O)C1 1086390432 UFJKYKOEUUWWHV-AJNGGQMLSA-N 320.437 -0.168 30 20 DBED C#CCN1CC[C@H](NC(=O)c2c(O)nnc(C)c2C)[C@H](O)C1 1090483862 UXODWCCGJYKHOY-NWDGAFQWSA-N 304.350 -0.403 30 20 DBED C[C@H](C#N)C(=O)N1CCC(OC2CN(CC(=O)N(C)C)C2)CC1 1093517443 NHHJWLBDDIPHOO-GFCCVEGCSA-N 322.409 -0.074 30 20 DBED C#CCNC(=O)CC(=O)NCCNc1ncc([N+](=O)[O-])cc1F 1093558504 YWNNORIQQBZQSG-UHFFFAOYSA-N 323.284 -0.204 30 20 DBED CCc1nc(C#N)cc(NCCNC(=O)[C@H](C)NC(N)=O)n1 1093568889 IVCYENYLXHQZKS-QMMMGPOBSA-N 305.342 -0.504 30 20 DBED N#Cc1nccnc1NCCNC(=O)CC(=O)NCC1CC1 1093846067 QFXKQUXNIFAUKN-UHFFFAOYSA-N 302.338 -0.207 30 20 DBED Cc1cc(C#N)nc(NCCNC(=O)c2cccn3nnnc23)n1 1093896861 DTRAALQZEKSITI-UHFFFAOYSA-N 323.320 -0.064 30 20 DBED C=CCN1CC(n2cc(CNC(=O)[C@H]3CC[C@H]3C(N)=O)nn2)C1 1094309860 TXIFNFUTWMSXRP-OLZOCXBDSA-N 318.381 -0.552 30 20 DBED COC(=O)NCC(=O)NCCCN=c1cc(C)[nH]cc1C#N 1094334294 NLZNRTLEESUSLX-UHFFFAOYSA-N 305.338 -0.042 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)c3cnn(C)c3)CC2=O)C1 1094700928 JZYOFTJYPFNWPS-LBPRGKRZSA-N 301.350 -0.932 30 20 DBED C#CCCN1CC(N2C[C@@H](NC(=O)Cn3ccnc3)CC2=O)C1 1094822467 JAOGRLQJTABEIE-ZDUSSCGKSA-N 315.377 -0.692 30 20 DBED CN1CC[C@H](C(=O)NCCCN(C)c2nccnc2C#N)C1=O 1095701654 RJRGDBWJMCVDKZ-LLVKDONJSA-N 316.365 -0.231 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CCN(c2nccn3nnnc23)C1 1096442768 UNXVYKCQHAJGQU-GHMZBOCLSA-N 315.337 -0.748 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1C[C@@H](NC(=O)CCNC(N)=O)C1 1097184238 RQUJFNAGZUMKKH-PHIMTYICSA-N 302.338 -0.507 30 20 DBED Cc1cc(=N[C@H](C)CNC(=O)C2CS(=O)(=O)C2)c(C#N)c[nH]1 1098070875 IHEXXPFZSWNQPF-SNVBAGLBSA-N 322.390 -0.355 30 20 DBED C[C@@H](CNC(=O)c1coc(C(N)=O)c1)N=c1cc[nH]c(C#N)n1 1098163196 UPONTHKRVNIYJR-QMMMGPOBSA-N 314.305 -0.308 30 20 DBED C[C@H](CNC(=O)[C@]1(C)CCC(=O)N1)N=c1cc[nH]cc1C#N 1098238026 MSEIUTCMBBDWMQ-BMIGLBTASA-N 301.350 -0.040 30 20 DBED CC#CCN(CCO)C1CCN(C(=O)CCn2cnnn2)CC1 1098509426 IHVJIIMIAUDBGX-UHFFFAOYSA-N 320.397 -0.628 30 20 DBED C#CCNCc1cn([C@H]2CCN(C(=O)c3cnn(C)n3)C2)nn1 1098745709 KZEIYRTXHRUSEZ-LBPRGKRZSA-N 314.353 -0.783 30 20 DBED CC1(C)CC[C@H](CNC(=O)C[C@@H]2NC(=O)NC2=O)N(CC#N)C1 1099110559 GIFMZQHSHVNXAZ-MNOVXSKESA-N 321.381 -0.285 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@H]2CN(C)C(=O)N2)C[C@H]1C(F)(F)F 1099288503 OUNVGVRQJRSVSZ-OPRDCNLKSA-N 318.299 -0.378 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H]2CC[C@H]1[C@H]1CN(CC#C)C[C@H]21 1099468646 RKLSGYXACARCQX-WCVJEAGWSA-N 313.401 -0.072 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)c2coc(C)c2)[C@H](O)C1 1099788119 BQBYBXREWLVYBH-UONOGXRCSA-N 319.361 -0.498 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)c2[nH]c(O)nc2C)[C@@H](O)C1 1099884690 BGUCSGNEFMVTFX-NEPJUHHUSA-N 324.381 -0.209 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)CCCC2CC2)[C@@H](O)C1 1099967696 RTBVVOGRUORCOT-GJZGRUSLSA-N 321.421 -0.133 30 20 DBED C#CCCN1CC[C@H](NC(=O)CCc2cn(C)nn2)[C@H](O)C1 1100147665 TVRKGMXISXPVBK-UONOGXRCSA-N 305.382 -0.678 30 20 DBED CCN(CCNC(=O)c1nnn(C)n1)c1cncc(C#N)n1 1100679318 RGUFLRBLYGEVLU-UHFFFAOYSA-N 301.314 -0.872 30 20 DBED C=CCNC(=O)[C@H](C)NC1CC(CNC(=O)c2cnon2)C1 1100773728 QOBUVQWHWWJFIO-WHXUTIOJSA-N 307.354 -0.142 30 20 DBED N#Cc1cncc(N2CCC[C@@H]2CNC(=O)CNC(N)=O)n1 1100779226 DDBKQFBZCXIHLE-SNVBAGLBSA-N 303.326 -0.898 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)CCN(C)CCC)C1 1100898401 DBUKHRGTAXJNFO-UHFFFAOYSA-N 322.453 -0.048 30 20 DBED N#Cc1cnccc1N1CC[C@@H](CNC(=O)CCNC(N)=O)C1 1100980095 IWRXQNHFWZKLEP-NSHDSACASA-N 316.365 -0.046 30 20 DBED C[C@H](CC(N)=O)C(=O)NCCN(c1nccnc1C#N)C1CC1 1101430583 JLEUNFXIMLGHEW-SNVBAGLBSA-N 316.365 -0.055 30 20 DBED CC(=O)N(C)CCCC(=O)N(C)CCN=c1cc[nH]c(C#N)n1 1101714329 WNYAMEFVMOGGNU-UHFFFAOYSA-N 318.381 -0.101 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](C)CNC(=O)[C@H]2C[C@H]2C(N)=O)n1 1104208562 CEQBTWHYDONFOH-AXTRIDKLSA-N 316.365 -0.058 30 20 DBED CNC(=O)C1(C(=O)N(C)CCN(C)c2nccnc2C#N)CC1 1105431426 AJUDIERTSDVLLX-UHFFFAOYSA-N 316.365 -0.231 30 20 DBED Cc1cc(C#N)nc(NC[C@H](O)CNC(=O)c2cnccn2)n1 1105705031 CNQTZLJUJWVLJJ-LLVKDONJSA-N 313.321 -0.351 30 20 DBED C[C@@H](OCC1CC1)C(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1 1105732404 PCTWNZHQGOPDEM-ZYHUDNBSSA-N 319.365 -0.526 30 20 DBED CCO[C@@H](C)C(=O)NC[C@H](O)CNc1nc(C)cc(C#N)n1 1105768798 AAYDKEJQVQVWBZ-JQWIXIFHSA-N 307.354 -0.029 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNc1cc(-n2ccnc2)ncn1 1105773516 IYYPMIITUNADKO-MNOVXSKESA-N 315.337 -0.289 30 20 DBED N#Cc1cnc(NC[C@@H](O)CNC(=O)[C@H]2COCCO2)c(F)c1 1105780455 RWJRCTOLECEBGC-ZYHUDNBSSA-N 324.312 -0.603 30 20 DBED CCn1nccc1C(=O)NC[C@H](O)CNc1ccc(C#N)nn1 1105800107 GUCVOMLPGSTXEG-LLVKDONJSA-N 315.337 -0.233 30 20 DBED CCN(C)C(C)(C)C(=O)NC[C@H](O)CN=c1cc[nH]cc1C#N 1106010765 FRZCTKWZDMKSBB-CYBMUJFWSA-N 319.409 -0.006 30 20 DBED CC(=O)NCC(C)(C)C(=O)NC[C@]1(C)CN(CC#N)CCO1 1108274934 SQBPJDUTOORJBT-OAHLLOKOSA-N 310.398 -0.121 30 20 DBED C[C@@H](CN(C)c1nccnc1C#N)NC(=O)c1nnn(C)n1 1109178931 HGUSUEHCEURHLR-QMMMGPOBSA-N 301.314 -0.874 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H]1CCC(=O)NC1 1109473959 LNONDKJCFMXNPN-XGUBFFRZSA-N 319.405 -0.116 30 20 DBED N#Cc1nccc(NC2(CNC(=O)[C@@H]3COCCO3)CC2)n1 1110058686 SRWOVINGGTYKKC-JTQLQIEISA-N 303.322 -0.176 30 20 DBED N#Cc1cncc(NC2(CNC(=O)[C@H]3C[C@H]3C(N)=O)CC2)n1 1110347396 USXKYRYUJXZQNV-ZJUUUORDSA-N 300.322 -0.470 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@H](C)OC 1110465424 CEEYHYIANHOPJN-DGAVXFQQSA-N 307.394 -0.118 30 20 DBED C[C@@H](CC(N)=O)C(=O)N[C@@]1(C)CCN(c2cncc(C#N)n2)C1 1110802726 UFUDDOXMNQNBRG-BONVTDFDSA-N 316.365 -0.055 30 20 DBED CC1(CNC(=O)CC(N)=O)CCN(c2ccnc(C#N)n2)CC1 1110869448 WZFUKVYILNCNJX-UHFFFAOYSA-N 316.365 -0.054 30 20 DBED N#Cc1ccc(N2CC[C@@](O)(CNC(=O)[C@@H]3CCCO3)C2)nn1 1111032136 SWBYOJRELWDNAO-SWLSCSKDSA-N 317.349 -0.415 30 20 DBED C[C@@H](C#N)C(=O)N[C@]1(CO)CCCN(c2cnc(C#N)cn2)C1 1111342907 IHGKFDCMIATTIB-XHDPSFHLSA-N 314.349 -0.045 30 20 DBED CN(CCCN(C)c1cncc(C#N)n1)C(=O)Cn1ncnn1 1112131349 BTSOTNTWNOHFMQ-UHFFFAOYSA-N 315.341 -0.680 30 20 DBED CNC(=O)CC(=O)NC[C@H]1CN(c2ccc(C#N)nc2)C[C@H]1O 1112709144 FWKVTEKDBXMDII-GXFFZTMASA-N 317.349 -0.997 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)c2cc(C)ncn2)CC1 1112769759 WOFICDJXDWVCJW-CYBMUJFWSA-N 315.377 -0.319 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCN(CC(=O)NCC2CC2)CC1 1112801346 OSOVYXCYMKOWFX-INIZCTEOSA-N 309.410 -0.016 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCN(Cc2nc(=O)n(C)[nH]2)CC1 1112801380 PTWUHNHHULIYPW-CQSZACIVSA-N 309.370 -0.920 30 20 DBED CCNC(=O)NC(=O)[C@@H](C)N1CCN(C(=O)C#CC2CC2)CC1 1112828557 YOHLCFNGPBFALC-GFCCVEGCSA-N 320.393 -0.222 30 20 DBED CCc1cnc(CC(=O)N2CCN(CC(=O)NCC#N)CC2)[nH]1 1112978587 MYSSLKYDIVFSIX-UHFFFAOYSA-N 318.381 -0.701 30 20 DBED C=C(C)CN(CC)C(=O)[C@H](C)N1CCN(C(=O)C(N)=O)CC1 1113279663 AUSWVXAQBNPTET-LBPRGKRZSA-N 310.398 -0.571 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)c2ncoc2C2CC2)CC1 1113493616 LMEMGNVEWCANIM-UHFFFAOYSA-N 317.349 -0.050 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCNC(=O)C1)N(C)c1ccnc(C#N)n1 1113575500 WGWCWFQEKKCFED-QWRGUYRKSA-N 316.365 -0.185 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H]1[C@@H]2CN(CCn3cccn3)C[C@@H]21 1114263522 WPOIHSUKJCXHNI-KBXIAJHMSA-N 302.378 -0.032 30 20 DBED CC1(C)CN(c2ccnc(C#N)n2)C[C@@H]1NC(=O)CNC(N)=O 1114423349 IYBYXVGQEKAZEE-VIFPVBQESA-N 317.353 -0.652 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)CCCCNC(N)=O)[C@@H]2C1 1114535454 IEINVJOUVAXPRB-CHWSQXEVSA-N 322.409 -0.479 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3cncc(C#C)c3)[C@H]2C1 1114808839 ZJADKIVOARUBQT-QLPKVWCKSA-N 322.368 -0.528 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)Cc3ccc[nH]3)[C@H]2C1 1115270163 VBYIWBRSPFTRRN-VIKVFOODSA-N 302.378 -0.094 30 20 DBED N#Cc1ccc(NCCCOCCNC(=O)CC(N)=O)nn1 1115395707 NQLDDUWWWKZNOY-UHFFFAOYSA-N 306.326 -0.842 30 20 DBED CN(C(=O)c1cnn[nH]1)[C@@H](CN=c1cc[nH]c(C#N)n1)C1CC1 1115588292 NISACWPQCWLERY-NSHDSACASA-N 312.337 -0.149 30 20 DBED N#C[C@@]1(NC(=O)Cn2cc(S(N)(=O)=O)cn2)CCSC1 1116913254 UIAVGTSTDKVOLH-JTQLQIEISA-N 315.380 -0.954 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1C[C@H](C)[C@@H](C)C1 1117633630 FRYYXAININBHAH-QWRGUYRKSA-N 302.396 -0.182 30 20 DBED COCCn1cc(CNC(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)cn1 1118113874 WPMPZRGUJNJZBA-WCQYABFASA-N 319.365 -0.046 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)c2ccsc2)CC1 1119053818 MGFHAULEWHCPEV-UHFFFAOYSA-N 313.404 -0.027 30 20 DBED N#Cc1cncc(N[C@H](CO)CNC(=O)c2ncccc2O)n1 1121340514 YNPQXLLBGJNZPK-JTQLQIEISA-N 314.305 -0.348 30 20 DBED N#Cc1nccnc1N[C@@H](CO)CNC(=O)C[C@@H]1CCOC1 1121399630 QEYWSRAUJSQMSK-WDEREUQCSA-N 305.338 -0.336 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)CCc2nc[nH]n2)nc1 1121412846 WNBVSMMVDSIRNL-NSHDSACASA-N 315.337 -0.407 30 20 DBED Cc1cn(C)nc1C(=O)NC[C@@H](CO)Nc1nccnc1C#N 1121447323 VFPPFLYHRKVSDE-JTQLQIEISA-N 315.337 -0.407 30 20 DBED Cc1nsc(N[C@H](CO)CNC(=O)c2nc[nH]n2)c1C#N 1121893692 RRFYOMFEWCLXFV-ZETCQYMHSA-N 307.339 -0.356 30 20 DBED N#CCNC1CC2(C1)CC(NC(=O)CC[C@H]1NC(=O)NC1=O)C2 1122161668 GGZYHCIOIRNQMU-AIXFRAIASA-N 319.365 -0.485 30 20 DBED Cc1nsc(N[C@@H](CO)CNC(=O)[C@H]2C[C@H]2C(N)=O)c1C#N 1122567913 MUWYRRJDIHAXAY-HLTSFMKQSA-N 323.378 -0.666 30 20 DBED CN(C[C@H](O)CNc1cccc(F)c1C#N)C(=O)CC(N)=O 1124199868 GRAMFXNRUGULCT-SECBINFHSA-N 308.313 -0.196 30 20 DBED C=CCCO[C@@H](C)C(=O)NCCNCCNS(=O)(=O)CC 1124496165 XCTDWKXJBWQZQW-LBPRGKRZSA-N 321.443 -0.387 30 20 DBED COC[C@H](C)OC[C@H](O)CNCCNC(=O)c1ccc(C#N)[nH]1 1125776235 KCBIBHPFIGADKP-WCQYABFASA-N 324.381 -0.382 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)COC(C)(C)C 1125956414 JGBKZBXOPMVQPM-UHFFFAOYSA-N 314.386 -0.481 30 20 DBED CCOCC(=O)NCCN(CCOC)c1ccc(C#N)nn1 1126187658 SWCVKVHTLUOBRL-UHFFFAOYSA-N 307.354 -0.046 30 20 DBED C=C(Cl)CNCCNC(=O)Cn1ccc(=O)n(C)c1=O 1128763467 AQIRZYRNUDYPSV-UHFFFAOYSA-N 300.746 -0.995 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1 1128979842 BYIHHXXZUZCSPV-UPJWGTAASA-N 302.338 -0.819 30 20 DBED CC[C@@H](C(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1)N(C)C 1129271465 FXJLCVQXQPKRHF-AGIUHOORSA-N 305.386 -0.517 30 20 DBED CSCC(=O)NCc1nc([C@H]2COCCN2CC#N)n[nH]1 1130823828 XVMLVEWTKCHGBL-SECBINFHSA-N 310.383 -0.319 30 20 DBED C#CCN1CCOC[C@@H]1c1n[nH]c(CNC(=O)C#CC2CC2)n1 1130850238 YONICGPLKBQQAH-CYBMUJFWSA-N 313.361 -0.159 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)CCCN(C)C)CC1 1131379117 QXQHEJSMUPXKIR-UHFFFAOYSA-N 308.426 -0.388 30 20 DBED C[C@@H](C[C@@H](C)NCC(=O)NCC#N)NC(=O)Cc1cncnc1 1134228005 LNWZEFDBPCNDEV-NEPJUHHUSA-N 318.381 -0.468 30 20 DBED Cc1ccnn1CC(=O)N[C@@H](C)C[C@H](C)NCC(=O)NCC#N 1135575178 BSLMVFXPFXNPNS-RYUDHWBXSA-N 320.397 -0.296 30 20 DBED C=CCNC(=O)CNCCNC(=O)COCc1ccncc1 1135750289 ALZNSOMFNXMZEF-UHFFFAOYSA-N 306.366 -0.394 30 20 DBED CCCCCS(=O)(=O)CC(=O)NCCNCC#CCOC 1147440453 KSPOSRAZIFHZQC-UHFFFAOYSA-N 318.439 -0.053 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC2(CN(C(=O)CC(C)(C)O)C2)C1 1147462321 ZXBORUBWSBJURW-ZDUSSCGKSA-N 321.421 -0.180 30 20 DBED C=CCNC(=O)CN1CCC2(C1)CN(C(=O)c1cn(C)nn1)C2 1147476589 VAJPGDKJYATNNZ-UHFFFAOYSA-N 318.381 -0.735 30 20 DBED Cn1ccc(C(=O)N2CC3(CCN(CC(=O)NCC#N)C3)C2)n1 1148748115 ISPNTWHFSQPIKI-UHFFFAOYSA-N 316.365 -0.792 30 20 DBED C=CCO[C@H](C)C(=O)N1CC2(CCN(CC(=O)NCC#N)C2)C1 1148874258 OSQVXTJHULPLLV-CYBMUJFWSA-N 320.393 -0.248 30 20 DBED C#CCCN1CCCO[C@@H](CNC(=O)[C@@]2(C)CNC(=O)C2)C1 1150023254 SUZFBPNUMDLDHI-XJKSGUPXSA-N 307.394 -0.257 30 20 DBED N#CCNC(=O)CN1CCCO[C@@H](CNC(=O)CCCF)C1 1150107865 AGNMHAXNFWWKNH-LBPRGKRZSA-N 314.361 -0.417 30 20 DBED CC#CCN1CCCO[C@H](CNC(=O)C[C@H]2CC(=O)NC2=O)C1 1150830160 CWHAVJSNGVSQTA-QWHCGFSZSA-N 321.377 -0.730 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)[C@@H]2CN(CC)CCO2)C1=O 1151740928 ZOFOBNUVTJYRSI-KGLIPLIRSA-N 324.425 -0.800 30 20 DBED CC#CCN(CC)[C@H](C)CNC(=O)CS(=O)(=O)CCOC 1154046531 WQTGACJRZIQFQS-CYBMUJFWSA-N 318.439 -0.103 30 20 DBED C#CCNC(=O)CC(=O)NCCCNCc1c(C)nnn1CC 1156857483 PXJSJCWOICUMEW-UHFFFAOYSA-N 320.397 -0.658 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)[C@H]1CCNC(=O)CC1 1163318370 WGVBSJJJFVZNBZ-CHWSQXEVSA-N 322.409 -0.864 30 20 DBED CCS(=O)(=O)NCC(=O)NCCC1(CNCC#N)CC1 1165292148 HMSYCXLYAKZLQT-UHFFFAOYSA-N 302.400 -0.675 30 20 DBED N#CCNC(=O)CNCCCNC(=O)[C@H]1CCC[C@H]2CCCN21 1168023043 SUODBFACIOXZBK-UONOGXRCSA-N 321.425 -0.261 30 20 DBED C=CCNC(=O)CN1CCO[C@@H]2CCN(C(=O)COC)C[C@H]21 1176877475 VRDVVYFMHQYEPE-CHWSQXEVSA-N 311.382 -0.763 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)CCCn3cncn3)C[C@H]21 1177125744 SHQOHPKKMNNYBG-HUUCEWRRSA-N 317.393 -0.007 30 20 DBED C#CCNCCCCCCNC(=O)CN1CCCS1(=O)=O 1178639240 UVMDDAJLPCLEPR-UHFFFAOYSA-N 315.439 -0.079 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC(=O)N(C)C2)[C@H]1C 1178817346 AOSSHYNPSBWNFS-XQQFMLRXSA-N 322.409 -0.654 30 20 DBED C#CCCN[C@H]1CCN(C(=O)CCn2ncn(C)c2=O)[C@H]1C 1179214221 RLKMXRHIZKXMMA-STQMWFEESA-N 305.382 -0.426 30 20 DBED C#CCCNC[C@]1(C)CN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C[C@H]1C 1182767788 LKGAKNOAZLXDMT-BFQNTYOBSA-N 320.393 -0.318 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)[C@@H]3CCCO3)[C@@H]2C1 1186741872 YYLVZRDEAIHCSE-MJBXVCDLSA-N 305.378 -0.553 30 20 DBED CC#CCN[C@@H]1CCN(C(=O)CNS(=O)(=O)CCCC)C1 1187450115 INAMAVGEXPYDGN-CYBMUJFWSA-N 315.439 -0.080 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@H]1CCN(C(=O)c2cnccn2)C1 1188675773 NSWDODVCWLQESO-STQMWFEESA-N 315.377 -0.239 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@@H]1CCN(C(=O)CC2(O)CCC2)C1 1190015820 SSLZJMVLYDWSLF-ZIAGYGMSSA-N 321.421 -0.038 30 20 DBED COCC#CCN(C)[C@H]1CCN(C(=O)[C@H]2CN(C)C(=O)N2)C1 1191717834 BTVBOEQHLRQPPX-QWHCGFSZSA-N 308.382 -0.808 30 20 DBED COc1ncccc1CN1C[C@@H](O)[C@H](NC(=O)[C@H](C)C#N)C1 1191854709 PPXSOGYWJBIFCU-RAIGVLPGSA-N 304.350 -0.089 30 20 DBED C#CCCCCC(=O)N[C@@H]1CN(CC(=O)NC(C)C)C[C@H]1O 1192288136 GMXLHOCZSLQRIM-ZIAGYGMSSA-N 309.410 -0.134 30 20 DBED C=C(C)CCC(=O)N[C@@H]1CN([C@@H](C)c2nnnn2C)C[C@H]1O 1193400492 RQQNPXBNRHUVRH-QJPTWQEYSA-N 308.386 -0.211 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC2(F)F)C1 1194016128 OOALFEAEWLXWDB-QJPTWQEYSA-N 302.321 -0.157 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)c2ccnc(OC)n2)C1 1194593952 ODGJMLUIKXKITC-CHWSQXEVSA-N 322.365 -0.537 30 20 DBED C=C(C)C(C)(C)C(=O)N[C@@H]1CN([C@H]2CCC(=O)NC2=O)C[C@H]1O 1195255597 WCCHXTBGUJPJOO-GRYCIOLGSA-N 323.393 -0.445 30 20 DBED CC(C)(F)C(=O)N1CCCO[C@H](CNCC(=O)NCC#N)C1 1199683029 KWQOAPIYMIRNRV-LLVKDONJSA-N 314.361 -0.419 30 20 DBED C#CCNC(=O)CC(=O)N1CCC(NCCC[C@H](C)O)CC1 1200170562 BIEFECWLUYRICF-ZDUSSCGKSA-N 309.410 -0.133 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)C[C@@](C)(O)C=C)[C@H](C)C1 1206915518 BFASIGDVVOXWCZ-IOASZLSFSA-N 307.394 -0.501 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)[C@@H](C)NC(=O)CC)C1 1208120610 ICHIMUCDNBKECB-OLZOCXBDSA-N 322.409 -0.769 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)c2cnn(C)n2)[C@H](C)C1 1209446247 CUCKCNUMDOYABO-NTZNESFSSA-N 320.397 -0.444 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@@H](C)Cc1cnn(C)c1 1213644776 CTQANDURLZTTGF-IACUBPJLSA-N 305.382 -0.062 30 20 DBED C#CCCN1C[C@@H](NC(=O)CS(=O)(=O)CC)[C@H](OC)C1 1213925953 YRJHPZRPOKUAQN-VXGBXAGGSA-N 302.396 -0.740 30 20 DBED Cc1cc(CN2C[C@H](O)[C@H](NC(=O)CSCC#N)C2)ncn1 1219216289 GNFSRGYBSSEEIM-OLZOCXBDSA-N 321.406 -0.297 30 20 DBED COc1cncc(CN2C[C@H](O)[C@H](NC(=O)C#CC3CC3)C2)n1 1219593233 ISMJSKMERNDKQP-KGLIPLIRSA-N 316.361 -0.440 30 20 DBED C=CC(C)(C)CC(=O)N[C@@H]1CN([C@H]2CCN(C)C2=O)C[C@@H]1O 1219708007 LOQGDWPXUATSOS-AGIUHOORSA-N 309.410 -0.019 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H](C)C(C)(F)F)C1 1220381242 LSPHZXDXOQXILY-MXWKQRLJSA-N 319.352 -0.259 30 20 DBED C=C[C@](C)(O)CC(=O)N1C[C@H]2CCN(Cc3nc(O)n[nH]3)C[C@H]21 1221517889 MZOMOBHJMHUVFG-HFAKWTLXSA-N 321.381 -0.130 30 20 DBED C#CCO[C@H](C)C(=O)NCC1CCN([C@@H]2CCNC2=O)CC1 1223183481 ZUQDXLRUNDGPLS-TZMCWYRMSA-N 307.394 -0.259 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC(NC(=O)[C@@H](C)COC)CC1 1226579360 LTYIKYCWGKKCCB-QWHCGFSZSA-N 309.410 -0.013 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)[C@@H]2C[C@H]3CC[C@H]2O3)CC1 1226617579 JYULCVKRKFVTJQ-RBSFLKMASA-N 319.405 -0.116 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)Cc1ncc[nH]1 1229301292 OCNCGFMRLKADNX-VXGBXAGGSA-N 318.381 -0.391 30 20 DBED C#CCN1CCS(=O)(=O)[C@@H](CCNC(=O)C(C)(F)F)C1 1230406010 BTXCWHPFUNREHA-JTQLQIEISA-N 308.350 -0.120 30 20 DBED CC(=O)NCCOCCN1CC[C@H]1CN(C)C(=O)[C@H](C)C#N 1231292139 BBXHWEOYCBUHPC-OCCSQVGLSA-N 310.398 -0.169 30 20 DBED C=CCCSCCNC(=O)C(=O)N[C@H](C)CS(C)(=O)=O 1261698251 DTCFIARATQPNFH-SNVBAGLBSA-N 322.452 -0.039 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N1C[C@@H]2CN(C(C)=O)C[C@@H]2C1 1262513688 OBILPOODAOEXRF-GASCZTMLSA-N 315.373 -0.592 30 20 DBED CC(C)OC(=O)CNC(=O)CCN/C(O)=C1\N=CC=CC1=O 1318916355 MOTIEHXSSFEWDL-BUHFOSPRSA-N 309.322 -0.029 30 20 DBED COC(=O)N1CCN(C(=O)C(=O)N(C)CC(C)(C)C#N)CC1 1325649503 BOHWHLBVKHVTSC-UHFFFAOYSA-N 310.354 -0.095 30 20 DBED N#C[C@H]1CC[C@@H](NC(=O)C(=O)NCc2nnnn2C2CC2)C1 1329205776 YCTJPQFTEHFXQP-DTWKUNHWSA-N 303.326 -0.567 30 20 DBED CCN1C[C@@H](CNC(=O)C(=O)Nc2cccc(C#N)n2)CC1=O 1332609653 CIWLLKJNUSICNG-SNVBAGLBSA-N 315.333 -0.124 30 20 DBED CC#CCN(C)c1nnnn1CCCN(C)S(=O)(=O)CC 1334077070 IFMNMCWGZFFANN-UHFFFAOYSA-N 314.415 -0.196 30 20 DBED C#CC1(O)CN(C(=O)Nc2ccc(CNS(C)(=O)=O)cc2)C1 1334793150 FSUWNYPJUOLLKW-UHFFFAOYSA-N 323.374 -0.052 30 20 DBED COC(C)(C)CNC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1336138883 MCYHKRCPBIHWEF-GFCCVEGCSA-N 308.382 -0.274 30 20 DBED C[S@@](=O)C1(CNC(=O)C(=O)N2CC[C@@](F)(C#N)C2)CC1 1343470840 NENUTXOHYCFOOU-BIBXISHDSA-N 301.343 -0.522 30 20 DBED CCCN(CC(=O)OCC)C(=O)Cn1cc(C#N)c(O)nc1=O 1362244017 VTAXDEPFTDUJFE-UHFFFAOYSA-N 322.321 -0.378 30 20 DBED N#CCc1cccc(C(=O)N2C[C@@H](C(N)=O)[C@H](C(N)=O)C2)c1 1363321669 VFNJKVSGUOEQHD-VXGBXAGGSA-N 300.318 -0.589 30 20 DBED Cn1c(=O)[nH]c(N2CCOC3(CCOCC3)CC2)c(C#N)c1=O 1364174619 DTMGGLGKVAYJMX-UHFFFAOYSA-N 320.349 -0.279 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CCCN(C(=O)c2ccc(=O)n(C)n2)C1 1372198082 HSOWDLFEWQYSTN-QWRGUYRKSA-N 317.349 -0.339 30 20 DBED C=C(Cl)CNC[C@H](O)CNC(=O)c1nc2nccc(C)n2n1 1374684102 WAGVHSQKYOLHNV-JTQLQIEISA-N 324.772 -0.134 30 20 DBED C[C@@H](CNC(=O)c1c[nH]c(C(N)=O)c1)N(C)C(=O)[C@H](C)C#N 1380738998 XSXKABMIJNABCJ-BDAKNGLRSA-N 305.338 -0.150 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](NC(=O)Cn1ncnn1)C(C)(C)C 1383297195 QMDKGHHTBLHFOI-ZJUUUORDSA-N 307.358 -0.520 30 20 DBED Cc1cc(CC(=O)N(C)C[C@H](O)CNC(=O)[C@@H](C)C#N)no1 1384202680 VRRHITDJWWKMSV-JOYOIKCWSA-N 308.338 -0.379 30 20 DBED COc1ccnc(C(=O)NC[C@@H](O)CNC(=O)[C@@H](C)C#N)c1 1389096413 AQGURJMCCOFMIG-UWVGGRQHSA-N 306.322 -0.543 30 20 DBED CCOc1cc(C(=O)NC[C@@H](O)CNC(=O)[C@@H](C)C#N)on1 1389114361 NAYPJESYQRVEIS-IUCAKERBSA-N 310.310 -0.560 30 20 DBED C[C@@H](CNC(=O)[C@H](C)C#N)NC(=O)CCS(=O)(=O)N(C)C 1392860557 SVPPCJLFBVNBOD-ZJUUUORDSA-N 318.399 -0.952 30 20 DBED CC[C@H](CNC(=O)c1ccc2nnnn2c1)NC(=O)[C@H](C)C#N 1399015808 BPZBQHDPRGJDOW-MWLCHTKSSA-N 315.337 -0.091 30 20 DBED C=C(Br)CNC[C@@H](O)CNC(=O)[C@H]1COCCO1 1406186944 KBSKSWQUMVCYKF-NXEZZACHSA-N 323.187 -0.623 30 20 DBED COCC(=O)NCCC(=O)NC[C@H]1C[C@@H](NC(=O)[C@H](C)C#N)C1 1406577811 WWMXPASMTZZEAN-UTUOFQBUSA-N 324.381 -0.690 30 20 DBED N#Cc1cnn2c(O)cc(CN3CC[C@@H](CO)[C@@H](O)C3)nc12 1412975951 FQDKGNLQZXVJTM-CABZTGNLSA-N 303.322 -0.518 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNCC1CCS(=O)(=O)CC1 1422263989 JCGWEVMHNRBHAK-JQWIXIFHSA-N 317.411 -0.962 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](C)CN(C)C(=O)c1cc(C(N)=O)ccn1 1425134157 MPBGWWMSROJAOO-VHSXEESVSA-N 317.349 -0.083 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](NC(=O)CCn2cnccc2=O)C1 1427799835 BMUCOIQOLVGAOA-VXGBXAGGSA-N 317.349 -0.490 30 20 DBED COc1cncc(C(=O)N2CC[C@@H](NC(=O)[C@H](C)C#N)C2)n1 1429515196 HAVJTMBPTDBTLL-NXEZZACHSA-N 303.322 -0.024 30 20 DBED CN(CCN(C)C(=O)c1cc(C#N)c[nH]1)C(=O)Cn1cncn1 1433164759 MAWPRWIKVJPTDV-UHFFFAOYSA-N 315.337 -0.292 30 20 DBED N#CCc1ccccc1S(=O)(=O)NCCN1CCNC(=O)C1 1434563175 PZEJZNNLZGAQNE-UHFFFAOYSA-N 322.390 -0.537 30 20 DBED C[C@H](C#N)C(=O)NCC1(C)CCN(C(=O)Cn2cnnn2)CC1 1454001917 VSRXAGIVSRWNKU-LLVKDONJSA-N 319.369 -0.422 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@@H]1CCCN(C(=O)c2c[nH]c(=O)cn2)C1 1454954924 QOQPXSATIFUYNF-WDEREUQCSA-N 317.349 -0.007 30 20 DBED CC(=O)N[C@H](C)C(=O)NC[C@H](C)CNC(=O)c1ccc(C#N)[nH]1 1500057518 NJLXCKYNRBLTDS-VHSXEESVSA-N 319.365 -0.107 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CCN(C(=O)c2cnc(O)n2C)C1 1523140567 YRTSTVOULKFKED-UWVGGRQHSA-N 305.338 -0.042 30 20 DBED C=C(Cl)C[C@@H](NC(=O)Cn1cc(C(=O)OC)nn1)C(=O)O 1573307559 KVMQCUHFZXWBEW-SSDOTTSWSA-N 316.701 -0.223 30 20 DBED C=CCCC(=O)NC[C@H](C)NC(=O)CC(=O)NCc1cnn[nH]1 1575085099 FLHNBNQQJYWICN-JTQLQIEISA-N 322.369 -0.602 30 20 DBED C[C@@H]1CS(=O)(=O)CCN1C(=O)C1CC2(CNC[C@H]2C#N)C1 1576860368 ILLSFZHNCKXPTL-KTEZZQQRSA-N 311.407 -0.229 30 20 DBED CCOC(=O)[C@@](C)(O)CNc1cnc(-c2nn[nH]n2)c(C#N)n1 1578240928 GIKFGUOGCRKITJ-LBPRGKRZSA-N 318.297 -0.746 30 20 DBED N#Cc1ncn(CCNC(=O)N2C[C@@H](N)[C@H](C(F)(F)F)C2)n1 1580084375 JFPZJEWIKAXAGH-HTQZYQBOSA-N 317.275 -0.319 30 20 DBED N#Cc1ncc(N2CC[C@@H](c3cc(O)n[nH]3)C2)nc1-c1nn[nH]n1 1581882228 QANLAIKGJSTMDL-SSDOTTSWSA-N 324.308 -0.049 30 20 DBED C#C[C@@H](CO)NC(=O)Nc1ccc(-c2nn[nH]n2)cc1OC 1588327037 AMQWVTSLUUHQNZ-VIFPVBQESA-N 302.294 -0.009 30 20 DBED C#CCN(CC(=O)O)c1nnc(CCO)n1C[C@@H]1CCCCO1 1588427048 KTMRDLFEHOXVIK-LBPRGKRZSA-N 322.365 -0.094 30 20 DBED C=C[C@H](CO)NC[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 1588728883 WXVBYCDEJNJDFA-VXGBXAGGSA-N 305.338 -0.257 30 20 DBED CCNC(=O)NC(=O)Cn1c(C)nc(-c2nn[nH]n2)c1C#N 1590743819 FOLOENHMNSXDOS-UHFFFAOYSA-N 303.286 -0.911 30 20 DBED N#Cc1cccc(-c2nn[nH]n2)c1N1CC(S(N)(=O)=O)C1 1592698064 GSDQAXLOWTXNDQ-UHFFFAOYSA-N 305.323 -0.785 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@H]1CCO[C@H]1C(=O)O 1596231797 ULSRCZNLXYFNJG-HBNTYKKESA-N 319.383 -0.208 30 20 DBED C#CCOCCNC(=O)[C@H](O)c1ccc(-c2nn[nH]n2)cc1 1602729634 ZHGUZTMHCFNRAE-GFCCVEGCSA-N 301.306 -0.334 30 20 DBED C=CCN1CC[C@H](N(C)c2cc(-c3nn[nH]n3)cnn2)C1=O 1602863027 PTNHVPHONLNWBC-JTQLQIEISA-N 300.326 -0.120 30 20 DBED C=CCOC[C@@H](NS(=O)(=O)c1ccc(C#N)cn1)C(=O)O 1602915665 QVOOWEWEJVJQFI-SNVBAGLBSA-N 311.319 -0.113 30 20 DBED Cc1nc(C#N)c(-c2nn[nH]n2)n1CCN1CCCS1(=O)=O 1606023894 MOHPPQLRKMPKJD-UHFFFAOYSA-N 322.354 -0.721 30 20 DBED Cc1cc(C#N)cnc1C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O 1607565670 DLGAULBINMBAHF-IUCAKERBSA-N 304.306 -0.031 30 20 DBED Cn1ccc([C@@H](NS(=O)(=O)c2ccc(C#N)nc2)C(=O)O)n1 1608126472 JRCUJVBHXFCRKO-LLVKDONJSA-N 321.318 -0.209 30 20 DBED N#C[C@@H]1CNC[C@@H]1NC(=O)CS[C@H]1CCS(=O)(=O)C1 1645883559 SDACBAYJIRIKFK-UTLUCORTSA-N 303.409 -0.866 30 20 DBED COC(=O)c1c(S(=O)(=O)N2CCOC[C@@H]2C#N)n[nH]c1C 1649728317 KTSQNBGOXIAYHI-QMMMGPOBSA-N 314.323 -0.582 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)c2cc(C)nn2C)C1 1713145998 IAOFGDYGQMLMOZ-OLZOCXBDSA-N 317.393 -0.329 30 20 DBED CCN(CCCNC(=O)[C@H](C)C#N)CC(=O)N1CCOCC1 1752170743 PVTLXGZEESLMSD-CYBMUJFWSA-N 310.398 -0.167 30 20 DBED C=CCn1cc(C(=O)NC[C@@H](N[C@@H](C)C(=O)NC)C2CC2)nn1 1752511579 GYRYYWXXJFHDBH-CMPLNLGQSA-N 320.397 -0.303 30 20 DBED C=CCNC(=O)[C@@H](C)NC[C@H]1CCN(C(=O)c2cnon2)C1 1752953225 CTMXGUNPHVQNGV-GHMZBOCLSA-N 307.354 -0.188 30 20 DBED CN1C[C@@H](C(=O)NCc2ccc(CCNCC#N)cc2)NC1=O 1752985303 GMEHIABAMSADAG-AWEZNQCLSA-N 315.377 -0.018 30 20 DBED CN(CCNCC(=O)NCC#N)C(=O)c1cnn2ncccc12 1753197962 KMKAJENAPYQBHK-UHFFFAOYSA-N 315.337 -0.969 30 20 DBED CC#CCN(C)C[C@H]1CCN(C(=O)C[C@H]2CC(=O)NC2=O)C1 1753361318 COTFZBXXUHUDPC-CHWSQXEVSA-N 305.378 -0.157 30 20 DBED COCC#CCNC[C@H](C)N(C)C(=O)C[C@@H]1CC(=O)NC1=O 1753731220 NOVARVKACFXHQQ-RYUDHWBXSA-N 309.366 -0.875 30 20 DBED C=CCNC[C@@H](O)CNC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 1753918680 ABAIIEWKIUHWBJ-ZIAGYGMSSA-N 309.410 -0.112 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC[C@H]1CNC(=O)Cc1ccn(C)n1 1754483127 WGGXGXWTLXXVHH-OCCSQVGLSA-N 319.409 -0.156 30 20 DBED C#CCN(C(=O)CC)C1CCN(CC(=O)NC(=O)NC)CC1 1754632544 VKVBFUVBNDGTSX-UHFFFAOYSA-N 308.382 -0.222 30 20 DBED C#CCNC(=O)CNC[C@]1(C)CCN(C(=O)CCOCC)C1 1754691165 VNTQKUIESVJBTP-INIZCTEOSA-N 309.410 -0.009 30 20 DBED C=CCNCCN(CCO)C(=O)[C@H](NC(N)=O)C(C)(C)C 1754897016 ZZDSQMMYAOEWSO-NSHDSACASA-N 300.403 -0.334 30 20 DBED COCC#CCN1CC2(C[C@@H](NC(=O)CSCC#N)CO2)C1 1755059683 UFGUELINWKJLJD-CYBMUJFWSA-N 323.418 -0.148 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@@H](C)CNC(=O)C1CN(C(C)=O)C1 1755295961 HJXMBBWDCOSQPU-RYUDHWBXSA-N 322.409 -0.961 30 20 DBED C[C@H](CN(C)C(=O)c1cn(C[C@@H]2CCOC2)nn1)NCC#N 1755611265 NXPUXZYICGXUFC-NEPJUHHUSA-N 306.370 -0.112 30 20 DBED CN(C[C@@H](O)CNCC(=O)NCC(C)(C)C)C(=O)C#CC1CC1 1755779163 FHESNARTOOKSBE-AWEZNQCLSA-N 323.437 -0.029 30 20 DBED CC(C)C#CC(=O)N[C@H](C)[C@H](C)NC(=O)CN1CCNC(=O)C1 1755966482 HHKXJJDTCIZCQA-OLZOCXBDSA-N 322.409 -0.913 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)[C@@H](C)CNC(=O)Cc1cnc[nH]1 1756074178 WMPNLUVAOCQEAU-RYUDHWBXSA-N 306.366 -0.046 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1(CCO)CN(C(=O)C(C)C)C1 1756083894 GHIVOIFJPQUEOI-AWEZNQCLSA-N 321.421 -0.180 30 20 DBED C#Cc1ccc(C(=O)N[C@@H](CO)CNC(=O)c2ccc[nH]2)cn1 1756503938 SEBOQSKTQNRWGL-CYBMUJFWSA-N 312.329 -0.088 30 20 DBED C=CCCC(=O)N1CCCO[C@@H](CNC(=O)CNC(C)=O)C1 1756838692 YNVWMIFPUMMOIC-ZDUSSCGKSA-N 311.382 -0.178 30 20 DBED C[C@H](C(=O)O)N(C)S(=O)(=O)CCOC1(C#N)CCOCC1 1776226229 YWSSQRXAIIEHNV-SNVBAGLBSA-N 320.367 -0.190 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)C1(C(=O)OC)CC1)CCO2 1783056275 RGRAKYKMYMCGAH-HNNXBMFYSA-N 320.345 -0.597 30 20 DBED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnnn3C)[C@H]2C1 1785467522 IXHCNRGAJVHCNJ-GVXVVHGQSA-N 317.349 -0.958 30 20 DBED N#CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cn1nccn1)C2 1795464649 QIGKELRNEOXAIA-ZSBIGDGJSA-N 302.338 -0.170 30 20 DBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)OC)C2)C1 1839805110 CEQPZQMYOYEISC-MRXNPFEDSA-N 324.377 -0.499 30 20 DBED CC(C)OCC(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846194389 ALXVENPQCQMVQS-UHFFFAOYSA-N 308.334 -0.297 30 20 DBED N#Cc1ccc(CS(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)O)cc1 21053661 FOAJGYDYOQWFQJ-NEPJUHHUSA-N 310.331 -0.092 30 20 DBED C[C@@H](C(=O)N(C)CCC#N)N1CCN(S(C)(=O)=O)[C@@H](C)C1 181609891 HCGJRWOIMSLLAE-RYUDHWBXSA-N 316.427 -0.287 30 20 DBED N/C(=N\C[C@H](N1CCOCC1)C(F)(F)F)N1CCOCC1 262636252 GWFSQRVNVHXALW-JTQLQIEISA-N 310.320 -0.104 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)c2cccc(-n3cnnn3)c2)CCO1 264375358 JXHOJMYRWVEETE-LLVKDONJSA-N 320.334 -0.425 30 20 DBED C#CCOc1ccccc1NC(=O)C(=O)N1C[C@@H](O)C[C@H]1CO 276018982 HQHJNJWUHGHSTJ-RYUDHWBXSA-N 318.329 -0.409 30 20 DBED COC(=O)NCC(=O)N1CCN(c2cc(C#N)ccn2)CC1 299017022 WHQFRNUQOYUSCK-UHFFFAOYSA-N 303.322 -0.042 30 20 DBED Cc1nc2n(n1)C[C@H](/N=C(/O)N1CCN3CCOC[C@@H]3C1)CC2 329767857 DHVMRBUDOIQBSL-OLZOCXBDSA-N 320.397 -0.168 30 20 DBED C[C@@H]1CN(C2CCOCC2)CCN1C(=O)Cn1cnc(C#N)n1 330313764 OWBQUKVGAOKZKH-GFCCVEGCSA-N 318.381 -0.139 30 20 DBED C=CCN(C(=O)[C@@H]1CCC(=O)N1C)[C@@H]1CCS(=O)(=O)C1 330753494 JCUDAEZFZDBLTP-MNOVXSKESA-N 300.380 -0.191 30 20 DBED CN(CCCO)/C(O)=N/CC1CCN(S(C)(=O)=O)CC1 331273911 PAADBIXMHWAFPX-UHFFFAOYSA-N 307.416 -0.114 30 20 DBED COC(=O)[C@@H]1[C@H](O)CCCN1CC(=O)N[C@](C)(C#N)C1CC1 331961330 ZWMQNTGTEWTZMU-OSAQELSMSA-N 309.366 -0.207 30 20 DBED CN(C)[C@@H]1CCC[C@H](NS(=O)(=O)N2CCO[C@H](C#N)C2)C1 336885170 FJARVYRCURYAOE-YNEHKIRRSA-N 316.427 -0.082 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)NCC(=O)NCCOC 336926556 XGYPDDMKBZGDGI-SNVBAGLBSA-N 306.388 -0.935 30 20 DBED CC[C@@H]1CN(S(=O)(=O)N2CCO[C@@H](C#N)C2)C[C@H](C)O1 337074754 QYQDOSHRHKLHJR-TUAOUCFPSA-N 303.384 -0.045 30 20 DBED COC[C@H](NS(=O)(=O)N1CCO[C@@H](C#N)C1)[C@@H]1CCCO1 337160089 SLQNVNGHCORSDG-SRVKXCTJSA-N 319.383 -0.761 30 20 DBED CN(C)C1(CNS(=O)(=O)N2CCO[C@@H](C#N)C2)CCC1 337199264 YQERXIWSRSYALP-NSHDSACASA-N 302.400 -0.471 30 20 DBED C=C[C@H](C)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O 342481447 PQSZGCTXJNFTAX-GCVBLCJJSA-N 321.337 -0.576 30 20 DBED CS(=O)(=O)N1CC[C@H](CNC(=O)c2cnccc2C#N)C1 345353847 QWAQPKUZXJEGKY-SNVBAGLBSA-N 308.363 -0.035 30 20 DBED CC(C)NS(=O)(=O)CCCS(=O)(=O)N(C)[C@H](C)C#N 349598632 FLXCYHYNMAMGNA-SNVBAGLBSA-N 311.429 -0.122 30 20 DBED CC[C@@H](C)NS(=O)(=O)CCCS(=O)(=O)N(C)CC#N 356877378 PIWIGRRDTTUPBE-SNVBAGLBSA-N 311.429 -0.120 30 20 DBED N#Cc1cc([N+](=O)[O-])cnc1NCCCn1cc(CO)nn1 357579934 KEYIVDQDKGUMRV-UHFFFAOYSA-N 303.282 0.447 30 20 DBED CN(CCCNC(=O)C1CCC1)C(=O)NCC(=O)NCC#N 358314632 PEPZKMUSIWTRNM-UHFFFAOYSA-N 309.370 -0.426 30 20 DBED CC(C)N1CC[C@@H](NS(=O)(=O)N(C)C[C@H](C)C#N)C1=O 407956000 KXQWMDUDQPKTLL-GHMZBOCLSA-N 302.400 -0.078 30 20 DBED C[C@H](C#N)S(=O)(=O)N1CC(S(=O)(=O)NC2CCCC2)C1 416456477 MFCSUSHWWYSAMT-SECBINFHSA-N 321.424 -0.226 30 20 DBED C=CCn1c(O)nnc1S(=O)(=O)CC(=O)N(CC)CC 429907310 YSSGFADEWBWJEJ-UHFFFAOYSA-N 302.356 -0.188 30 20 DBED Cc1cccc(NC(=O)C(=O)NCCCS(N)(=O)=O)c1C#N 442003044 VAANDJMDJAHBAB-UHFFFAOYSA-N 324.362 -0.400 30 20 DBED CCN1C[C@H](NS(=O)(=O)N(CCC#N)CCOC)CC1=O 451873472 VWFSIJOELZBRJS-LLVKDONJSA-N 318.399 -0.696 30 20 DBED C#CCN1CCN(C(=O)CN2CCC(O)(C(F)F)CC2)CC1 491041084 XHBKVFJRPQEEBF-UHFFFAOYSA-N 315.364 -0.144 30 20 DBED CC(C)(C)OC(=O)NC[C@](C)(O)CNCC(=O)NCC#N 496160950 XNKNLRJLNFGDBL-CYBMUJFWSA-N 300.359 -0.509 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCO[C@@H](C(=O)O)C1 570284351 HAAVDWGZJYGCOL-VHSXEESVSA-N 305.356 -0.502 30 20 DBED CC(C)[C@@H](C#N)N1CCN(C(=O)CCn2ncn(C)c2=O)CC1 590201354 XJJRUJHTTPUPAL-CYBMUJFWSA-N 320.397 -0.336 30 20 DBED CS(=O)(=O)N1CCC[C@H](NC(=O)[C@@H](N)CCCCC#N)C1 594431068 GWPZSPKMOGUTMQ-RYUDHWBXSA-N 316.427 -0.062 30 20 DBED CO[C@@H]1CN(S(=O)(=O)N(C)CCC#N)[C@](C)(C(=O)O)C1 600656407 CNCUBUVPQKCZFE-ONGXEEELSA-N 305.356 -0.359 30 20 DBED C[C@H](N)[C@H]1CCN(C(=O)C(=O)N2CCN(CCC#N)CC2)C1 601580172 BGIGCIIRJYECTA-STQMWFEESA-N 307.398 -0.760 30 20 DBED CC(C)(O)C(C)(C)CNC(=O)C(=O)N1CCN(CCC#N)CC1 602278921 MVKNLRUNLNGPJZ-UHFFFAOYSA-N 324.425 -0.042 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N1CC2(C1)CS(=O)(=O)C2 603369415 JWPPGODAVCJGAH-VIFPVBQESA-N 307.397 -0.947 30 20 DBED C[C@H]1CN(C(=O)CCn2cc(C#N)c(O)nc2=O)C[C@@H](C)O1 603919142 WIGCXUSHZROGBF-AOOOYVTPSA-N 306.322 -0.154 30 20 DBED CC#CC[C@H](CO)NC(=O)CN(C)C(=O)[C@@H](C)n1cccn1 649189425 FJRGKCXNDNFHSH-CHWSQXEVSA-N 306.366 -0.207 30 20 DBED CC#CC[C@@H](CO)NC(=O)CN(C)C(=O)[C@H](C)n1cccn1 649189428 FJRGKCXNDNFHSH-STQMWFEESA-N 306.366 -0.207 30 20 DBED C=C[C@](C)(O)C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 669167806 BZALLVZNEKYYAM-AWEZNQCLSA-N 309.370 -0.564 30 20 DBED C=CCN(CC=C)C(=O)COC(=O)c1cn(C)c(=O)n(C)c1=O 735153884 SHEZFJVRAWDGFK-UHFFFAOYSA-N 321.333 -0.559 30 20 DBED C=CCNC(=O)COC(=O)[C@@H](NC(=O)C(C)(C)C)[C@H](C)O 745695482 JMBNQTXFXFOCRR-ONGXEEELSA-N 300.355 -0.257 30 20 DBED C#CCSCCNC(=O)N(C)C[C@@H](O)CN1CCOCC1 751798869 QQNJKJDKZILBMZ-CYBMUJFWSA-N 315.439 -0.313 30 20 DBED CCN(C[C@@H](C)C#N)C(=O)COC(=O)Cn1cc([C@H](C)O)nn1 777109209 HDCZMRPWQIFQCI-QWRGUYRKSA-N 323.353 -0.117 30 20 DBED C#C[C@H](NC(=O)N[C@H]1CCc2nnnn2CC1)[C@H]1CCCO1 817781642 UAKZEGJILHBODE-SDDRHHMPSA-N 304.354 -0.142 30 20 DBED C=CCN(C(=O)C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1OC)C(C)C 829929255 LLULDUBMZHPAPJ-GHMZBOCLSA-N 318.395 -0.662 30 20 DBED C#CC1CCN([C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1 830333587 CPMAZOTYNLUFMW-SNVBAGLBSA-N 318.377 -0.417 30 20 DBED CC(=Nn1cnnc1)c1ccc(S(=O)(=O)NCC(=O)O)cc1 839381921 OFHSKSHNNUIOJF-UHFFFAOYSA-N 323.334 -0.087 30 20 DBED C=CCN1CCN(CN2CC[C@@H](S(=O)(=O)NC)C2)C1=O 840031141 HIJIGKAKHCXSEG-LLVKDONJSA-N 302.400 -0.509 30 20 DBED C#Cc1cncc(C(=O)N2CCC(NS(=O)(=O)NC)CC2)c1 846056993 SQMQLSHDYXEOKV-UHFFFAOYSA-N 322.390 -0.279 30 20 DBED C/N=C(/NCCN1CCOCC1)NCC1(O)CCOCC1 848999505 MBGWUPWKMBAJJA-UHFFFAOYSA-N 300.403 -0.975 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N(C)Cc1cnccn1 850710318 ZIAXAIQJPLGLDW-UHFFFAOYSA-N 304.350 -0.067 30 20 DBED C#CCN1CCN(C(=O)CN2CC[C@H]3NC(=O)CC[C@@H]3C2)CC1 852497439 VTYAXYAIGHOCQN-HUUCEWRRSA-N 318.421 -0.636 30 20 DBED CCn1nc(C)c(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](O4)[C@@H]3C2=O)n1 872427099 BMEFCIZRXDDZII-WYUUTHIRSA-N 301.306 -0.121 30 20 DBED C#CC[C@@H](CO)NS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C 882342882 JWIFBSUBNOCIMW-JTQLQIEISA-N 323.374 -0.461 30 20 DBED C=C1CN(C(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1 898690834 AZAFIDPPVVNZOW-UHFFFAOYSA-N 303.322 -0.778 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)c2nccnc2N)C1 944522748 YPEOSELYPPFYRV-ZJUUUORDSA-N 318.337 -0.824 30 20 DBED C#CCCN1CC[C@@H](NC(=O)Cn2ncn(C)c2=O)C[C@H]1C 947464979 YHSGAMKERMMOAL-CHWSQXEVSA-N 305.382 -0.426 30 20 DBED C#CCCN1CCN(C(=O)[C@H](Cn2cccn2)N(C)C)CC1 948749833 BMVWIAYXOXZDPN-HNNXBMFYSA-N 303.410 -0.019 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@H]2CNC(=O)[C@@H]2CCC(=O)N2)c1 951382090 UEIZBOIIPVATCZ-QWRGUYRKSA-N 315.333 -0.504 30 20 DBED N#Cc1cc(C(=O)N2CC[C@@]3(CCN(C(=O)C(N)=O)C3)C2)c[nH]1 953157534 XBRYTICSJMYXAF-OAHLLOKOSA-N 315.333 -0.564 30 20 DBED Cc1nn[nH]c1C(=O)N(C)C1CN(C(=O)c2c[nH]c(C#N)c2)C1 954944917 JPPPKUQWWNYBJX-UHFFFAOYSA-N 313.321 -0.091 30 20 DBED C#CCCN1C[C@H](O)[C@H](CNC(=O)c2cnc3n2CCC3)C1 958150191 ZREFLVPVSZRGTO-OCCSQVGLSA-N 302.378 -0.125 30 20 DBED Cc1n[nH]c(C)c1C(=O)N(C)[C@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1O 958920376 IOCZGWZUNQPPCH-ZHAHWJHGSA-N 319.365 -0.170 30 20 DBED C=CCN1C[C@H]2C(NC(=O)c3cc(=O)n4[nH]cnc4n3)[C@@H]2C1 962277609 ABNZYKLQUCTLOQ-RKDXNWHRSA-N 300.322 -0.736 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)c1cnns1 964104807 DMQAXORNHNGPJQ-BDAKNGLRSA-N 309.351 -0.345 30 20 DBED C=CCN1CC[C@@H](N[C@@H]2CCN(C(=O)C3=COCCO3)C2)C1=O 966708947 JYFAIZYTTFYRMJ-CHWSQXEVSA-N 321.377 -0.148 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C2CN(C(=O)C(F)F)C2)CC1 967242817 CZSXADSLOJQYSO-SECBINFHSA-N 300.309 -0.234 30 20 DBED Cc1ncc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)c(C)n1 969724580 MDLQUECPCLUILL-WQHBLYJGSA-N 317.349 -0.445 30 20 DBED N#CCN1C[C@H]2CC[C@H]1CN2C(=O)Cn1ccc(O)nc1=O 971572322 CLTUCDTUUWOJMI-WDEREUQCSA-N 303.322 -0.852 30 20 DBED CN(CC#N)[C@@H]1CCN(C(=O)c2ccc(S(N)(=O)=O)o2)C1 971862298 YKIDNHBBNCTYFN-SECBINFHSA-N 312.351 -0.403 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@]2(CN(CC#N)CCO2)C1 972416998 PLPFGEMRLMOMQW-RDJZCZTQSA-N 316.405 -0.089 30 20 DBED Cc1cnn(CC(=O)N[C@H]2[C@@H]3CN(C(=O)[C@@H](C)C#N)C[C@@H]32)c1 976230490 SFBCKVOFQNKQFR-CIQGVGRVSA-N 301.350 -0.076 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)[C@H]3CN(C)CCO3)[C@H]2C1 976311187 NFIVUPONNIASPL-LBELIVKGSA-N 306.366 -0.950 30 20 DBED CCN1C[C@@H](C(=O)N[C@H]2[C@@H]3CN(C(=O)[C@H](C)C#N)C[C@@H]32)CC1=O 976665017 XJOVTUIDQOXNDM-MOWSAHLDSA-N 318.377 -0.413 30 20 DBED C#Cc1ccc(C(=O)N2C[C@H]3[C@H](NC(=O)c4cnn[nH]4)[C@H]3C2)nc1 976813263 ZAYJMZMFXWHXQD-YABSGUDNSA-N 322.328 -0.319 30 20 DBED CN(C[C@H]1CCN1C(=O)C#CC1CC1)C(=O)c1cnn(C)n1 978009262 NWIBGQVHUALQMN-GFCCVEGCSA-N 301.350 -0.099 30 20 DBED C#Cc1ccc(C(=O)N2CC(NC(=O)Cc3cnn(C)c3)C2)cn1 990433666 PDRVOBXISGUFLE-UHFFFAOYSA-N 323.356 -0.020 30 20 DBED O=C(Cn1cccn1)N[C@@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1O 991284447 MJQDNMAMIMOKAJ-KGLIPLIRSA-N 316.361 -0.626 30 20 DBED C=CCN1CC[C@]2(NC(=O)[C@@H]3CC(=O)NC(=O)N3)CCC[C@H]12 992260040 LDCDXQAKUHOTIO-ZIBATOQPSA-N 306.366 -0.116 30 20 DBED CC#CCN1CCC[C@H](NC(=O)Cn2ccc(O)nc2=O)[C@H]1C 993551406 BFLJDTUPHVYRPB-OLZOCXBDSA-N 318.377 -0.059 30 20 DBED CC(C)N1C[C@@H](C(=O)NC2CN(C(=O)C#CC3CC3)C2)CC1=O 993780179 IPRUAZHNRSINGO-ZDUSSCGKSA-N 317.389 -0.016 30 20 DBED COc1c(O)nc(O)nc1C(=O)N1CCC[C@H](NCC#N)C1 1000688391 PFIDLEHHMNPXEC-QMMMGPOBSA-N 307.310 -0.386 30 20 DBED C=CCN1CC=C(CNC(=O)c2cn(CC(N)=O)nn2)CC1 1001461943 BNKXDGGCGXHOPV-UHFFFAOYSA-N 304.354 -0.689 30 20 DBED Cn1ncc(C(=O)NC2[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]23)c1N 1012992402 VFWYVIRIVZYMSM-VXGBXAGGSA-N 313.361 -0.398 30 20 DBED Cc1cn2nc(C(=O)N[C@@H]3CCN(CC#N)C3)cc2c(=O)[nH]1 1015401391 CLKMYWOTEXVRKT-SNVBAGLBSA-N 300.322 -0.341 30 20 DBED C=CCN1CCC2(CC1)C[C@H]2NC(=O)[C@@H]1CC(=O)NC(=O)N1 1016859559 LVIOARKHRWSNRI-WDEREUQCSA-N 306.366 -0.259 30 20 DBED C=C(Cl)CN[C@H]1C[C@@H](NC(=O)Cn2c(O)nnc2O)C1 1023025413 ISIWXUGNUFMHCP-OCAPTIKFSA-N 301.734 -0.321 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc3n(n2)CCC3)C1 1024213578 LBDZTZKFBOLCJB-ZWKOPEQDSA-N 317.349 -0.710 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1[C@@H]2CN([C@@H](C)C(=O)NC)C[C@@H]21 1026056849 GFMLULCGUSXDPU-AJSWTNHPSA-N 307.394 -0.242 30 20 DBED C=CCN[C@@H]1CC[C@@H]2CN(C(=O)CN3CCOCC3=O)C[C@H]21 1026284992 HJZMRHLXLSGWPT-MGPQQGTHSA-N 307.394 -0.142 30 20 DBED C=CCN[C@@H]1CC[C@H]2CN(C(=O)CCn3ncn(C)c3=O)C[C@@H]21 1026314347 ADNDNVRKKBGFLV-MELADBBJSA-N 319.409 -0.016 30 20 DBED N#Cc1ccc(C(=O)NC[C@@H]2CCN(Cc3nc(O)n[nH]3)C2)[nH]1 1028487021 OQFZPKCCJGJARC-VIFPVBQESA-N 315.337 -0.038 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2CCN([C@H]3CCNC3=O)C2)nn1 1028850944 BOWPOKMRTSKFNW-YPMHNXCESA-N 318.381 -0.596 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)c3cnnn3CC)C2)C1=O 1030279901 AYTUQTWWSYYMJV-GFCCVEGCSA-N 318.381 -0.501 30 20 DBED N#Cc1cc(C(=O)NCC2CN([C@H]3CCC(=O)NC3=O)C2)c[nH]1 1031622796 IAFDDLWNMCEVBJ-LBPRGKRZSA-N 315.333 -0.647 30 20 DBED C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)CN1CCN(C)C(=O)C1 1032482117 AHTFXFJAOXKJPK-KBPBESRZSA-N 306.410 -0.378 30 20 DBED C=CCn1cc(C(=O)N(C)[C@H]2CCN([C@H]3CCNC3=O)C2)nn1 1033483587 JUVURVIXDBLEKB-AAEUAGOBSA-N 318.381 -0.501 30 20 DBED C=C(Cl)CN1CCO[C@@H](CNC(=O)[C@@H]2COC(=O)N2)C1 1035351972 JJSIZHNYUPQMQY-UWVGGRQHSA-N 303.746 -0.336 30 20 DBED CC#CCN1CCO[C@@H](CNC(=O)c2cn(C)nc2OC)C1 1035465199 CSAUHAKDIWPZLZ-LBPRGKRZSA-N 306.366 -0.117 30 20 DBED C#CCCN1CCO[C@@H](CNC(=O)[C@H]2CN(CC)CCO2)C1 1035611260 RKKYMGKACIXJRS-LSDHHAIUSA-N 309.410 -0.453 30 20 DBED CC(C)C#CC(=O)NC[C@@]1(O)CCN(C(=O)c2csnn2)C1 1039665376 KQPKIKOHUFOKGU-AWEZNQCLSA-N 322.390 -0.109 30 20 DBED CC(C)N(C)CC(=O)N1CC[C@](O)(CNC(=O)[C@@H](C)C#N)C1 1040765687 KFFQZJLMTSFOAW-WFASDCNBSA-N 310.398 -0.434 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@@]3(CCN(CC(N)=O)C3)C2)[nH]1 1041222191 QVRAGTQZAUFFLR-OAHLLOKOSA-N 301.350 -0.090 30 20 DBED C=CCOCCCC(=O)N1CC(O)(CNC(=O)COCC)C1 1041303039 DJTJSKKUJNEYMI-UHFFFAOYSA-N 314.382 -0.305 30 20 DBED C=CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)COCCC)C1 1041865033 GSQNTEGINPJMMX-GFCCVEGCSA-N 314.382 -0.306 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)CC2CCOCC2)C1 1042201670 YCJHQZCBSXXMTF-LLVKDONJSA-N 309.366 -0.348 30 20 DBED CN(C)CCC(=O)N1CC(O)(CNC(=O)c2cc(C#N)c[nH]2)C1 1042396794 JYIZLNMILJZQLG-UHFFFAOYSA-N 319.365 -0.859 30 20 DBED CN(C(=O)c1ccc(C#N)[nH]1)C1CN(Cc2nnn(C)n2)C1 1042625895 STUOSAZMTQUVKL-UHFFFAOYSA-N 300.326 -0.634 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)C[C@H]2CCC(=O)N2)C1 1042802488 KGSPZPLPCRJCTM-GFCCVEGCSA-N 321.377 -0.852 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)C[C@@H]2CCN(C)C2)C1 1042938207 RLCNEXSLDUNMME-AWEZNQCLSA-N 321.421 -0.323 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)COCCC=C)C1 1043042828 XSZYPJAGJXWEIY-CYBMUJFWSA-N 324.377 -0.693 30 20 DBED CN(CC(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1)C1CCC1 1043532532 AMUZGSWJCWNHCS-UHFFFAOYSA-N 319.405 -0.426 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CN(c3cc(F)ncn3)C[C@@H]2O)c[nH]1 1043878113 SRYNGRNAACCFMD-MNOVXSKESA-N 316.296 -0.205 30 20 DBED N#Cc1cncc(N2C[C@H](O)[C@H](NC(=O)[C@]3(F)CCOC3)C2)n1 1044425650 GSJQOGPBNVSLJM-SUNKGSAMSA-N 321.312 -0.857 30 20 DBED C=C(C)CCC(=O)N1CC(O)(CNC(=O)[C@H]2CCNC2=O)C1 1044451594 IWSJWUCGHWHIBZ-NSHDSACASA-N 309.366 -0.832 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)CCCC#CC)C1 1044999263 UXWDNAIJCGLNOU-CQSZACIVSA-N 320.389 -0.092 30 20 DBED C=C1CC(C)(C(=O)NCC2(O)CN(C(=O)CNC(C)=O)C2)C1 1046300802 BBGGTSUYSBIGBS-UHFFFAOYSA-N 309.366 -0.832 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1C[C@H](CNC(=O)[C@H]2CCNC2=O)C1 1046982770 RQYDPTXRIORTMV-DRZSPHRISA-N 313.361 -0.182 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CCCS2(=O)=O)C1 1047472430 KHBJORMFUSIJEV-AGIUHOORSA-N 314.407 -0.910 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@]2(C)CCN(C(C)=O)C2)C1 1047590096 XNUVWGWUYQFDHB-OFQRWUPVSA-N 309.410 -0.066 30 20 DBED C=CCCOCC(=O)N1C[C@H]2C[C@@H](NC(=O)C(N)=O)C[C@H]1C2 1047700688 HWGYNZUTBWOQHH-QJPTWQEYSA-N 309.366 -0.440 30 20 DBED N#CCN1CCC2(CC1)CN(C(=O)CN1C(=O)CCC1=O)C2 1050749541 PJZXURHRXMYPCW-UHFFFAOYSA-N 304.350 -0.417 30 20 DBED C=C(C)CN1CCOC[C@@H]1CNC(=O)c1ccc(=O)n(C)n1 1051237513 UPEKIXZEQRAWBR-LBPRGKRZSA-N 306.366 -0.213 30 20 DBED N#CCN1CCOC[C@H]1CNC(=O)C1CCN(C(N)=O)CC1 1051237665 ALGABVQCOHBHTJ-GFCCVEGCSA-N 309.370 -0.882 30 20 DBED C=CCN1CCN([C@H]2CCN(C(=O)[C@H]3CN(C)CCO3)C2)CC1 1051999184 FYFGTBNLZBUNAM-JKSUJKDBSA-N 322.453 -0.279 30 20 DBED N#CCN1CCN([C@@H]2CCN(C(=O)c3cccnn3)C2)CC1 1052099973 VXXCXSZQPLWRIT-CYBMUJFWSA-N 300.366 -0.168 30 20 DBED C#CCN1CC2(C1)CN(C(=O)C[C@H]1CCN(C)C1=O)CCO2 1053298485 VUCORHUBJXAIMB-CYBMUJFWSA-N 305.378 -0.599 30 20 DBED C#CCCN1CC2(CC[C@@H](CNC(=O)c3cnn(C)n3)O2)C1 1053679242 YTLDYCHULHLNEQ-LBPRGKRZSA-N 303.366 -0.198 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)c3cnn(CCF)c3)CO2)C1 1053851845 CPNZHVRDEGYLSN-LBPRGKRZSA-N 307.329 -0.051 30 20 DBED Cc1cc(C)n(CC(=O)N[C@H]2COC3(C2)CN(CC#N)C3)n1 1053863355 LJIGFJSMOXKUFK-CYBMUJFWSA-N 303.366 -0.017 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)[C@]3(C)CNC(=O)C3)CO2)C1 1053879675 XEMYCFTYJVHOLU-DOMZBBRYSA-N 305.378 -0.505 30 20 DBED CC(C)N1CCO[C@@H](C(=O)N[C@H]2COC3(C2)CN(CC#N)C3)C1 1053904055 DTRHZEPXFXRNRT-ZIAGYGMSSA-N 322.409 -0.421 30 20 DBED C=C1CC(C)(C(=O)N2C[C@H]3CN(C(=O)CNC(N)=O)C[C@H]3C2)C1 1055157440 ASJLEOUGJYXLGB-TXEJJXNPSA-N 320.393 -0.072 30 20 DBED N#Cc1nccnc1N1CCN(C(=O)C2CS(=O)(=O)C2)CC1 1055913887 BERCOPHVJYVBBY-UHFFFAOYSA-N 321.362 -0.959 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@](CO)(NC(=O)CC2(O)CCC2)C1 1055934995 LFFNOPSVMOLPOJ-DOMZBBRYSA-N 323.393 -0.079 30 20 DBED N#Cc1cnc(N2C[C@H]3[C@H](NC(=O)[C@H]4COC(=O)N4)[C@H]3C2)cn1 1056193120 BPYAWDIKSDASBV-KLBPJQLPSA-N 314.305 -0.993 30 20 DBED CNC(=O)NCC(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@@H](C)C#N 1056439903 NXGHGYBELYONTP-TUAOUCFPSA-N 321.381 -0.333 30 20 DBED CN(c1nccnc1C#N)[C@@H]1CCN(C(=O)CS(C)(=O)=O)C1 1056854499 DZNWHVYHAUJINW-SNVBAGLBSA-N 323.378 -0.570 30 20 DBED CCOCC(=O)N(CCO)CCNC(=O)CSCC#N 1056864988 UWXGAXGGMYQKAS-UHFFFAOYSA-N 303.384 -0.783 30 20 DBED C[C@@H](C(=O)N[C@@H]1CCN(c2cncc(C#N)n2)C1)n1cncn1 1058319248 PYYLIULRZDPXCN-WDEREUQCSA-N 312.337 -0.104 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@H]1C[C@@H]1C 1058409343 LDYINGCZBQFISU-KKUMJFAQSA-N 321.421 -0.323 30 20 DBED N#Cc1nccnc1N1CCC[C@H]1CNC(=O)[C@@H]1COCCO1 1061299903 XGOYRDFAINUEET-AAEUAGOBSA-N 317.349 -0.151 30 20 DBED Cn1ncc(C(=O)NC[C@H]2CCCN2c2nccnc2C#N)n1 1061375242 CNHOGAZCTHTNEY-SNVBAGLBSA-N 312.337 -0.124 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1COCCO1 1061566566 PLFNZTJFEAIOAG-KGLIPLIRSA-N 324.377 -0.595 30 20 DBED C#CCCCCC(=O)N1CCOC[C@H]1CNC(=O)c1cnn[nH]1 1061697531 SPMWQLPYVZLPQN-GFCCVEGCSA-N 319.365 -0.045 30 20 DBED C=CC(C)(C)C(=O)NC[C@H]1COCCN1C(=O)[C@H]1C[C@H]1C(N)=O 1061755209 DAXZBNUDOCOURZ-TUAOUCFPSA-N 323.393 -0.336 30 20 DBED C=CCCOCC(=O)NCC1(NC(=O)Cn2cnnn2)CCC1 1063426072 XJTCISSKELGTJQ-UHFFFAOYSA-N 322.369 -0.579 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(C(=O)C2=COCCO2)CCO1 1064802218 VZTPBWJSEZAXLF-CYBMUJFWSA-N 320.345 -0.368 30 20 DBED CN(C(=O)c1cc[nH]n1)[C@H]1CN(c2ccc(C#N)cn2)C[C@@H]1O 1065568697 KKXAWCAHWOADIB-STQMWFEESA-N 312.333 -0.002 30 20 DBED COCCC(=O)N1CC[C@H](N2CCN(C(=O)[C@@H](C)C#N)CC2)C1 1065676713 KORVSMCYFSGSHK-KBPBESRZSA-N 322.409 -0.072 30 20 DBED N#Cc1cccnc1N1C[C@H]2CN(C(=O)Cn3cnnn3)C[C@H]2C1 1065958113 DGPUQFPGYFMCMX-BETUJISGSA-N 324.348 -0.465 30 20 DBED C[C@H]1CN(C(=O)c2cnnn2C)C[C@H]1N=c1cc[nH]c(C#N)n1 1067085700 GLOCWTNOIUPMMR-VHSXEESVSA-N 312.337 -0.529 30 20 DBED N#Cc1cccnc1N1C[C@@H](O)[C@@H](CNC(=O)c2nc[nH]n2)C1 1067676196 NXAMDWBXWVDRMI-WDEREUQCSA-N 313.321 -0.702 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](CNC(=O)c3ccnnc3)C2)nc1 1067694453 ZWVMGKZGKFZYAL-ZIAGYGMSSA-N 324.344 -0.030 30 20 DBED Cn1cnc(C(=O)NCC2[C@H]3CN(c4nccnc4C#N)C[C@H]23)n1 1068171495 ZOOQFDRZRGAGPE-GHMZBOCLSA-N 324.348 -0.411 30 20 DBED C[C@@H]1C[C@H](CNc2cncc(C#N)n2)CN1C(=O)CC(N)=O 1068302717 JZTUEXOROQTPFK-NXEZZACHSA-N 302.338 -0.127 30 20 DBED C[C@H](C(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1)n1cccn1 1069898237 DMIMSRPPQSGVOD-UPJWGTAASA-N 314.353 -0.399 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)[C@@H]2COC(=O)N2)CCOCC1 1070098183 QZWUFMTXPHQWFO-ZJUUUORDSA-N 324.337 -0.964 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)CCCC(N)=O)CCOCC1 1070158021 UJQSFAZXQHRCDB-LLVKDONJSA-N 324.381 -0.417 30 20 DBED C#CCN[C@@H]1CN(C(=O)C[C@H]2CCOC2)C[C@@H]1n1ccnn1 1070172054 OGQMQYUVCFWKER-MCIONIFRSA-N 303.366 -0.321 30 20 DBED Cc1nonc1C(=O)NCC1(NC(=O)[C@H](C)C#N)CCOCC1 1070233667 BNLPDNRTFVFQAY-SECBINFHSA-N 321.337 -0.067 30 20 DBED C=CCN1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CNC(=O)N2)C1 1070422797 IPKZZICZCASUBF-ZYHUDNBSSA-N 318.381 -0.317 30 20 DBED C#CCCN1CC[C@@]2(C1)CN(C(=O)Cn1nccn1)C[C@H](C)O2 1071173316 HCKOFRLBTKODIJ-GOEBONIOSA-N 317.393 -0.007 30 20 DBED C#CCCN1CCN([C@H]2CCCN(C(=O)CC(N)=O)C2)C(=O)C1 1071260532 TVPCPCIVTDAGOG-ZDUSSCGKSA-N 320.393 -0.980 30 20 DBED C#CCCN1C[C@H](NC(=O)Cn2ccc(O)nc2=O)CC[C@@H]1C 1071660661 ZTJUELBIPTZRFJ-QWHCGFSZSA-N 318.377 -0.059 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1C 1072164032 COHOYLYQBBDWNL-VXGBXAGGSA-N 304.354 -0.560 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)CNC(=O)NC)C[C@@H]1C 1072268536 OSJHGQFTBPZAND-WDEREUQCSA-N 312.370 -0.919 30 20 DBED C#CCCN1CCO[C@@H]2CCN(C(=O)Cc3nc[nH]n3)C[C@@H]21 1074380757 UCVQCRLUKUPFCW-QWHCGFSZSA-N 303.366 -0.328 30 20 DBED COCCN1C[C@@H](C(=O)N2CC[C@H]3CN(CC#N)C[C@H]32)CC1=O 1075855580 KQJRYMLGRFEKQW-MELADBBJSA-N 320.393 -0.462 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)C2CC3(C2)CS(=O)(=O)C3)C1 1077221528 UADQIYLPQASHRR-VXGBXAGGSA-N 314.407 -0.842 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCCCN2C(C)=O)C1 1077825226 KNSVBCXZROJQIE-BZUAXINKSA-N 321.421 -0.038 30 20 DBED CC#CCCCC(=O)N(CC)C1CN(C(=O)[C@H]2CNC(=O)N2)C1 1080298333 JSOMDNLCLHZRHJ-CYBMUJFWSA-N 320.393 -0.079 30 20 DBED CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 1080416770 QOGBGHHPXLCUQG-ZMLRMANQSA-N 322.365 -0.762 30 20 DBED CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)[C@H]2CC(=O)N(C)C2)C1 1080420067 MPQQMFNSHSTEBA-QWRGUYRKSA-N 306.366 -0.316 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)C2=CCOCC2)C[C@@H]1O 1081463323 LLUJZJDXIPGHAE-CABCVRRESA-N 320.389 -0.072 30 20 DBED Cc1c[nH]c(C(=O)NC[C@H]2CN(C(=O)C#CC(C)C)C[C@@H]2O)n1 1081520996 VLMDHYYHARXOEY-STQMWFEESA-N 318.377 -0.073 30 20 DBED C=C(C)CCC(=O)NC[C@@H]1CN(C(=O)CC(=O)NC)C[C@H]1O 1081531514 TZVJZQULONAEIC-VXGBXAGGSA-N 311.382 -0.586 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1c[nH]nc1[C@@H]1CCOC1 1081987865 HWTUWQOJIQYOCA-RAIGVLPGSA-N 319.365 -0.134 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCc3nnn(C)c3C2)C1 1083730599 IUIPOEASDNPMRC-KYOSRNDESA-N 317.393 -0.895 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2cnc(C)nc2OC)[C@H](O)C1 1090310998 PDIGVLWLQMLOOY-CHWSQXEVSA-N 304.350 -0.408 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1O 1090490495 UKPVUFIMKKRTQY-IACUBPJLSA-N 314.345 -0.343 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)c2nccnc2C(N)=O)[C@@H](O)C1 1090795413 WPTDKZUEUHFANF-QWRGUYRKSA-N 319.365 -0.683 30 20 DBED C#CCN1C[C@@H](C)[C@H](CNC(=O)[C@H]2CC(=O)N(CCOC)C2)C1 1092654059 FUUOHHCQSBIGPZ-QLFBSQMISA-N 321.421 -0.201 30 20 DBED C[C@]1(CNC(=O)C(N)=O)CN(c2ncc(C#N)cc2F)CCO1 1092775076 NSLBJKVTWMMMHG-AWEZNQCLSA-N 321.312 -0.711 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H]1[C@@H]2CN(c3cnc(C#N)cn3)C[C@@H]21 1093311371 QLCBFLRTKLKHFS-MUYACECFSA-N 311.345 -0.063 30 20 DBED CN(C)CCC(=O)NC1[C@@H]2CN(c3cncc(C#N)n3)C[C@@H]12 1093342672 QOQNIEGDLPFNIV-VXGBXAGGSA-N 300.366 -0.149 30 20 DBED Cc1csc(=O)n1CC(=O)NCCN=c1cc[nH]c(C#N)n1 1093632495 YLYGEGRWSMHKGK-UHFFFAOYSA-N 318.362 -0.470 30 20 DBED N#Cc1cncc(NCCNC(=O)c2cnc3n2CCOC3)n1 1094220017 AABFQWOQJABGKJ-UHFFFAOYSA-N 313.321 -0.083 30 20 DBED C#CCCN1CC(n2cc(CNC(=O)c3cnn(C)c3)nn2)C1 1094272946 HBHHXGCTHQEHGX-UHFFFAOYSA-N 313.365 -0.178 30 20 DBED CC#CCN1CCN(C(=O)[C@@H](C)C#N)[C@@H]2CS(=O)(=O)C[C@@H]21 1094614824 QDVNZQDOZXCULG-RWMBFGLXSA-N 309.391 -0.521 30 20 DBED N#Cc1cncc(NCCCNC(=O)[C@H]2CCS(=O)(=O)C2)n1 1094662076 WEMCDNPFHJFEPZ-JTQLQIEISA-N 323.378 -0.299 30 20 DBED CN1CCCC[C@@H]1C(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1 1094750631 HYMGXRRMOFRVOX-TZMCWYRMSA-N 319.409 -0.604 30 20 DBED C[C@@]1(C(=O)NCCCNc2nccnc2C#N)CCC(=O)N1 1094764956 JPOMLXSLYSAWHG-AWEZNQCLSA-N 302.338 -0.065 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1 1094787955 LLJNXCUUHJJYJS-YUTCNCBUSA-N 318.377 -0.498 30 20 DBED C=C(C)CN1CC(N2C[C@H](NC(=O)c3nonc3C)CC2=O)C1 1094820608 KLBGAUAZJGBDCP-LLVKDONJSA-N 319.365 -0.031 30 20 DBED N#CCSCC(=O)N1CC[C@@H](Nc2nccn3nnnc23)C1 1095011479 TWXDDLLMHFQTDK-SECBINFHSA-N 318.366 -0.211 30 20 DBED CCC(=O)NCC(=O)N1CC[C@@H](N(C)c2ccc(C#N)nn2)C1 1095099077 FUTGEFMSYSFZBJ-GFCCVEGCSA-N 316.365 -0.088 30 20 DBED CN(CCCNC(=O)C[C@@H]1CCC(=O)N1)c1ccc(C#N)nn1 1095591508 CRZMSEPUQWQTDQ-NSHDSACASA-N 316.365 -0.041 30 20 DBED CC(=O)N[C@H](C)C(=O)N[C@@H]1CCN(c2ccnc(C#N)n2)C1 1096317259 OVEYNAAVSVTFBI-MWLCHTKSSA-N 302.338 -0.432 30 20 DBED CCC(=O)NCC(=O)N[C@H]1CCN(c2nccnc2C#N)C1 1096331886 TXEQKNQEWVYMEG-JTQLQIEISA-N 302.338 -0.431 30 20 DBED CNC(=O)C1(C(=O)N[C@@H]2CCN(c3cnc(C#N)cn3)C2)CC1 1096396508 YOKPQPMQKLGQSS-SNVBAGLBSA-N 314.349 -0.431 30 20 DBED C[C@@H](CC(=O)N[C@H]1CCN(c2cncc(C#N)n2)C1)NC(N)=O 1096432603 ZEBOWRAEUVODJH-UWVGGRQHSA-N 317.353 -0.510 30 20 DBED CCN1C[C@H](C(=O)NC[C@H](C)N=c2cc[nH]c(C#N)n2)CC1=O 1098346564 RLKGQALHPBLVCM-WDEREUQCSA-N 316.365 -0.445 30 20 DBED C[C@@H](CNC(=O)c1cc(=O)n(C)cn1)Nc1nccnc1C#N 1098362486 DEYNYZZLUCIFSY-VIFPVBQESA-N 313.321 -0.328 30 20 DBED C=CCN1CCC2(CC1)CN(C(=O)[C@H]1CNC(=O)N1)C[C@@H](C)O2 1098631140 QBYZWRZPUQLPSD-CHWSQXEVSA-N 322.409 -0.064 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(Cc2nncn2C)C[C@H]1O 1099740727 IRJLAHWJTMLQMM-NWDGAFQWSA-N 309.370 -0.931 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)Cc2n[nH]c(C)n2)[C@@H](O)C1 1099809177 DANQSKMNLKZNPU-STQMWFEESA-N 323.397 -0.590 30 20 DBED Cc1noc(CN2CC[C@H](NC(=O)C#CC3CC3)[C@H](O)C2)n1 1099812184 CBRCMOXIKLNHAW-QWHCGFSZSA-N 304.350 -0.157 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CCc2ccncn2)[C@@H](O)C1 1099856012 QMGLIXBKYMSODJ-CABCVRRESA-N 302.378 -0.016 30 20 DBED C#CCCN1CC[C@H](NC(=O)COCc2ccnn2C)[C@@H](O)C1 1099890973 YLBAWMLLPXGIIE-GJZGRUSLSA-N 320.393 -0.489 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)c2[nH]nnc2C)[C@H](O)C1 1099942402 RCOPQRFRZXKVFH-VXGBXAGGSA-N 309.370 -0.519 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)C(C)(C)C2CC2)[C@@H](O)C1 1099952686 XFKJXNNOURWJAE-KGLIPLIRSA-N 321.421 -0.277 30 20 DBED C[C@H](C#N)C(=O)NCCN(C)c1nc(O)c2cnn(C)c2n1 1100004725 CILJFUFEMBWFQN-MRVPVSSYSA-N 303.326 -0.219 30 20 DBED CC(C)N(C)C(=O)C1(C(=O)N[C@@H]2CCN(CC#N)C[C@H]2O)CC1 1100054504 WCALYVMXMINAJF-CHWSQXEVSA-N 322.409 -0.292 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)Cc2nc[nH]n2)[C@@H](O)C1 1100070066 OQYQSQFXZAUDPQ-NEPJUHHUSA-N 309.370 -0.899 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)c2nocc2C)C1 1100828956 DRWRDZXAFSGDLU-UHFFFAOYSA-N 304.350 -0.170 30 20 DBED C#CCCNC1CC(CNC(=O)CCCN2C(=O)CNC2=O)C1 1100964019 HFNOWRRMXQGHMD-UHFFFAOYSA-N 320.393 -0.174 30 20 DBED COCC#CCN1C[C@@H]2CN(C(=O)c3cn(C)nn3)C[C@]2(C)C1 1101221453 RZNDPZHEMDDNNO-CJNGLKHVSA-N 317.393 -0.141 30 20 DBED COC(=O)[C@@H]1C[C@@H]1C(=O)N(C)CCN=c1cc[nH]c(C#N)n1 1101542490 RGRQJAYZUIOPBU-VHSXEESVSA-N 303.322 -0.550 30 20 DBED N#Cc1cnc(N2[C@H]3CC[C@H]2CN(C(=O)CNC(N)=O)C3)cn1 1102183965 LYOQGINHKMWBCP-QWRGUYRKSA-N 315.337 -0.804 30 20 DBED CC[C@@H](CNC(=O)[C@H]1COC(=O)N1)Nc1ccc(C#N)nn1 1103053436 UNRMVZTXYYOJOH-WCBMZHEXSA-N 304.310 -0.237 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H](C)CNc1ccc2nnnn2n1 1104090114 VZXZEAWPHZBBGV-MNOVXSKESA-N 317.353 -0.278 30 20 DBED C#CCOCCC(=O)NC[C@H]1CN(c2nccnc2F)CCO1 1104330431 OZVHXWFTWPIRDJ-LBPRGKRZSA-N 322.340 -0.023 30 20 DBED C[C@H](CNc1nccnc1C#N)N(C)C(=O)[C@H]1C[C@H]1C(N)=O 1104826568 ACCFZKUFAVOWSK-BBBLOLIVSA-N 302.338 -0.272 30 20 DBED C=CCNCc1cn(C2CN(C(=O)c3cnn(C)c3N)C2)nn1 1105217841 NJJWSASYOQRDRN-UHFFFAOYSA-N 316.369 -0.434 30 20 DBED CNC(=O)NCC(=O)NC[C@H](N=c1cc[nH]c(C#N)n1)C(C)C 1105298753 QPGIBHIHLHUGTQ-JTQLQIEISA-N 319.369 -0.748 30 20 DBED C#CCNCc1cn(C2CN(C(=O)[C@H]3CCO[C@H]3C)C2)nn1 1105349411 IXADGPCAHKZUAO-FZMZJTMJSA-N 303.366 -0.191 30 20 DBED CN(CCN(C)c1ccnc(C#N)n1)C(=O)CCn1ccnn1 1105381737 NEJMGUNERLABRT-UHFFFAOYSA-N 314.353 -0.075 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)CN2CCCC2=O)nc1 1105715902 CUYDWEHGOGSANV-LBPRGKRZSA-N 317.349 -0.535 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)CCc2nc[nH]n2)cn1 1105784175 CYHYHRQJDLUIMV-LBPRGKRZSA-N 315.337 -0.407 30 20 DBED Cc1ccnc(C(=O)NC[C@H](O)CNc2cnc(C#N)cn2)n1 1105804441 RKJHDYLOELTOIJ-LLVKDONJSA-N 313.321 -0.351 30 20 DBED C[C@](O)(CC(=O)NC[C@H](O)CNc1cnc(C#N)cn1)C1CC1 1105826780 KCARQFMZWCBGHG-DOMZBBRYSA-N 319.365 -0.212 30 20 DBED C[C@](O)(CC(=O)NC[C@@H](O)CNc1cnc(C#N)cn1)C1CC1 1105826783 KCARQFMZWCBGHG-WFASDCNBSA-N 319.365 -0.212 30 20 DBED CCO[C@@H](C)C(=O)N1C[C@@H](C)[C@H](CNCC(=O)NCC#N)C1 1105854822 BJIDAGORTDJDKD-FRRDWIJNSA-N 310.398 -0.265 30 20 DBED C[C@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)[C@H]1COCCO1 1106233878 OWBDGPMOQLOSTP-GHMZBOCLSA-N 305.338 -0.508 30 20 DBED N#Cc1nc(=NC/C=C/CNC(=O)C2(C(N)=O)CC2)cc[nH]1 1107480325 GGOZNCUTYDMQAV-OWOJBTEDSA-N 300.322 -0.880 30 20 DBED C[C@H](CNc1cnc(C#N)cn1)NC(=O)[C@@H]1COCCN1C 1107694150 JLZOSHKMBIZPST-PWSUYJOCSA-N 304.354 -0.405 30 20 DBED CC(=O)N1CCC[C@H]1C(=O)N[C@H](C)CN=c1cc[nH]c(C#N)n1 1107861249 QYXHFQGXRFXVGA-PWSUYJOCSA-N 316.365 -0.302 30 20 DBED C=C(C)CN1CCO[C@](C)(CNC(=O)CCn2cnnn2)C1 1108301250 OCMWBHDZUSIKAK-CQSZACIVSA-N 308.386 -0.154 30 20 DBED C[C@@H](CNc1cncc(C#N)n1)NC(=O)c1cn(C)c(=O)n1C 1108411612 AZBXANDNSSMLFL-VIFPVBQESA-N 315.337 -0.384 30 20 DBED Cc1cc(=NC[C@H](C)NC(=O)[C@@H]2CCC(=O)N2)c(C#N)c[nH]1 1108470197 HBRNBBVLARKMPR-JQWIXIFHSA-N 301.350 -0.121 30 20 DBED CC#CCN1CC(N2C[C@@H](NC(=O)[C@H](O)C(C)C)CC2=O)C1 1108543349 WGPVWTITDDEAKS-SWLSCSKDSA-N 307.394 -0.572 30 20 DBED C#CCCN1CC(N2C[C@@H](NC(=O)CN(C)CCC)CC2=O)C1 1108587645 SUTCVVLDLKVOHN-AWEZNQCLSA-N 320.437 -0.247 30 20 DBED C[C@@H](CNc1ncccc1C#N)NC(=O)C[C@@H]1NC(=O)NC1=O 1108760171 NMYRCTUOIKFCGG-WPRPVWTQSA-N 316.321 -0.532 30 20 DBED C[C@H](CN(C)c1ccnc(C#N)n1)NC(=O)c1cnn(C)n1 1109014574 GMVJRGDGTBSGGS-SECBINFHSA-N 300.326 -0.269 30 20 DBED C#CCOCCC(=O)N[C@@H](C)CN(C)c1ccc2nnnn2n1 1109101976 JNADVPXUFIATQC-NSHDSACASA-N 317.353 -0.500 30 20 DBED C[C@@H](CN(C)c1nccnc1C#N)NC(=O)[C@H]1CCCNC1=O 1109128330 OMAUKPLRRPQDOT-QWRGUYRKSA-N 316.365 -0.185 30 20 DBED CN1CCO[C@H](C(=O)N(C)CCCNc2cnc(C#N)cn2)C1 1109418669 BIGHIHUDZFLMEJ-ZDUSSCGKSA-N 318.381 -0.061 30 20 DBED CC(=O)NCC(=O)N[C@@]1(C)CCN(c2nccnc2C#N)C1 1110718545 JSDAINYQPJJSOX-AWEZNQCLSA-N 302.338 -0.431 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@]1(O)CCN(c2nccnc2C#N)C1 1111041768 LMYJCLWKKCZGCO-HZMBPMFUSA-N 300.322 -0.435 30 20 DBED Cc1ccc(C#N)c(N2CC[C@](O)(CNC(=O)CC(N)=O)C2)n1 1111053700 KBCAKQWNLXCZIF-HNNXBMFYSA-N 317.349 -0.806 30 20 DBED CN(C)C(=O)CC(=O)N(CCO)CCNc1cnc(C#N)cn1 1111573040 QVZGLXXHDYYZKG-UHFFFAOYSA-N 320.353 -0.941 30 20 DBED CCOCCC(=O)NC[C@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1112703233 ZPBKTWYIKSHLSA-AAEUAGOBSA-N 319.365 -0.312 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(c2ncc(F)cn2)C[C@H]1O 1112721136 VNYCKZGJPWJLFH-WCQYABFASA-N 304.325 -0.058 30 20 DBED Cc1cc(C#N)nc(N[C@H](C)[C@@H](C)NC(=O)c2nnn(C)n2)n1 1113259374 SLNSOOPWEWVVME-RKDXNWHRSA-N 315.341 -0.201 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)c2ccnnc2)CC1 1113379135 IIBXOLKZCGJHSK-GFCCVEGCSA-N 303.366 -0.075 30 20 DBED C[C@@H](CNC(=O)CCCC(N)=O)N(C)c1ccnc(C#N)n1 1113644791 JNJPHWGQROJGOI-JTQLQIEISA-N 304.354 -0.055 30 20 DBED C[C@@H](CNC(=O)C(C)(C)C(N)=O)N(C)c1ccc(C#N)nn1 1113741509 UTCUZQPILCLXSF-VIFPVBQESA-N 304.354 -0.199 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)C3CC3)[C@H]2C1 1113765901 YUBVOODUEVEUBI-XEZLXBQYSA-N 320.393 -0.157 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CCN(C)C1=O)N(C)c1nccnc1C#N 1113826725 LDPKUEQGBSWIKC-QWRGUYRKSA-N 316.365 -0.233 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)CN(C)C(C)=O)[C@H]2C1 1113901176 FIHBFQBUSCLGAV-MUYACECFSA-N 322.409 -0.798 30 20 DBED C[C@@H]1CCN(c2ncccc2C#N)C[C@@H]1NC(=O)CNC(N)=O 1113997561 LDSDOQJSRRAXEM-PWSUYJOCSA-N 316.365 -0.047 30 20 DBED CC(C)(C)OCC(=O)NC1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]12 1114166634 VTWHEZULVJSWEP-GHMZBOCLSA-N 308.382 -0.512 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3c[nH]nc3CC)[C@H]2C1 1114502524 WRPBTHWRELCTHJ-RYUDHWBXSA-N 315.377 -0.619 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)[C@H]3OCC[C@H]3C)[C@H]2C1 1114851962 MJWXKXGHISXHTF-YXMPFFBPSA-N 305.378 -0.793 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)Cn3nccc3C)[C@@H]2C1 1114893901 ACWJCFZJXAQLKT-ZIAGYGMSSA-N 302.378 -0.112 30 20 DBED C=CCOCCN1C[C@H]2C(NC(=O)CN3C(=O)CCC3=O)[C@@H]2C1 1115216330 GRRATVJQJAUJRG-VXGBXAGGSA-N 321.377 -0.616 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CC[C@@H]([C@H](C)N)C2)nn1 1118146972 BDAPMYNGYLJORF-WDEREUQCSA-N 306.370 -0.724 30 20 DBED C=C[C@H](CO)NC(=O)Cc1ccc(S(=O)(=O)CCO)cc1 1118794360 OYYUMNGNTMIKGG-GFCCVEGCSA-N 313.375 -0.342 30 20 DBED N#CCSCC(=O)NC[C@H](CO)N=c1cc[nH]cc1C#N 1121078859 IFPRPIQMPUVIHL-LLVKDONJSA-N 305.363 -0.479 30 20 DBED Cc1ncc(C(=O)NC[C@H](CO)Nc2cnc(C#N)cn2)[nH]1 1121234924 JQGIBQFHWJVVQR-SNVBAGLBSA-N 301.310 -0.417 30 20 DBED C=CCOCC(=O)NC[C@H](CO)N=c1ccc2ncc[nH]c-2n1 1121324550 ORBYVNWBCMRINU-LLVKDONJSA-N 317.349 -0.510 30 20 DBED Cc1cc(C(=O)NC[C@@H](CO)Nc2nccnc2C#N)cnn1 1121359544 JOJSOFMGVQGDGY-NSHDSACASA-N 313.321 -0.351 30 20 DBED Cc1nnc(CC(=O)NC[C@@H](CO)Nc2cnc(C#N)cn2)o1 1121432726 PEFSTQLLNFINEM-JTQLQIEISA-N 317.309 -0.829 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)CC2(O)CCC2)nn1 1121528936 RAHPGHVJLLBHRX-NSHDSACASA-N 305.338 -0.458 30 20 DBED CC(C)C#CC(=O)NC[C@@H](CO)Nc1ncnc2c1ncn2C 1121529153 VILGDFOYBPHGFR-NSHDSACASA-N 316.365 -0.088 30 20 DBED C=C(C)CCC(=O)NC[C@H](CO)Nc1ccc2nnnn2n1 1122158504 QXPCTIAMJWULLX-SNVBAGLBSA-N 305.342 -0.235 30 20 DBED COC1CC(C(=O)NC[C@@H](CO)Nc2nccnc2C#N)C1 1122177019 IBSHJMNAUSYHCA-YVNMAJEFSA-N 305.338 -0.338 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)[C@@H]2CCC(=O)NC2)cn1 1122830705 VOLLXTHIXZAVOW-MFKMUULPSA-N 317.349 -0.632 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)c1ccon1 1124091554 SZCIFMGJIBDDMQ-SECBINFHSA-N 302.294 -0.697 30 20 DBED CCCN(C)CC(=O)N(C)C[C@@H](O)CNc1nccnc1C#N 1124441280 DFNTUXMUSULLAY-LBPRGKRZSA-N 320.397 -0.079 30 20 DBED C=CCOCC(=O)NCCNC[C@@H](O)COC[C@H]1CCCO1 1124773193 OIKWKFKVBMJMJF-ZIAGYGMSSA-N 316.398 -0.549 30 20 DBED COc1ccnc(N(C)C[C@@H](O)CN(C)C(=O)[C@@H](C)C#N)n1 1124988232 HHEOKJOACOSZNM-QWRGUYRKSA-N 307.354 -0.100 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)CCc1cnn(C)c1C 1128346820 YFOPYSXJAOTNHC-GFCCVEGCSA-N 319.409 -0.495 30 20 DBED C#CCCCC(=O)N[C@@H]1CN([C@H](C)C(N)=O)C[C@@H]1n1ccnn1 1128939341 LRPHEHMVJLGWCR-UPJWGTAASA-N 318.381 -0.703 30 20 DBED CC[C@H](OC)C(=O)NCc1nc([C@H]2COCCN2CC#N)n[nH]1 1130835767 QZTBIRRJJXILOS-MNOVXSKESA-N 322.369 -0.257 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)CCCC(=O)NC 1134131278 TXOYIESRXYHFIS-CHWSQXEVSA-N 324.425 -0.475 30 20 DBED N#CCNC(=O)CN1CCC2(C1)CN(C(=O)C1CCOCC1)C2 1146871168 DHECQKFJQYUWNV-UHFFFAOYSA-N 320.393 -0.413 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)c1n[nH]cc1C)C2 1147490927 QBXJULHSYWNNNF-UHFFFAOYSA-N 315.377 -0.385 30 20 DBED C#CCOc1ncccc1C(=O)NCCN[C@H](C)C(=O)NC 1148302089 BMDCHYWERRJVMZ-LLVKDONJSA-N 304.350 -0.453 30 20 DBED C#CCN(CC)[C@H](C)CNC(=O)CS(=O)(=O)CCOC 1154046169 KRPSTZVXLRKXHX-GFCCVEGCSA-N 304.412 -0.493 30 20 DBED C=CCCO[C@H](C)C(=O)NCCCNCC(=O)NC(N)=O 1155426773 KRXKHWTWUWYYLK-SNVBAGLBSA-N 300.359 -0.742 30 20 DBED C[C@H](C#N)C(=O)NCCCNCC(=O)NCc1cccnc1 1155828472 OCQDZNGPBJARQM-GFCCVEGCSA-N 303.366 -0.047 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)C[C@H]1COC(=O)C1 1156587164 VINKGAROLGZRAH-VXGBXAGGSA-N 311.382 -0.274 30 20 DBED C=C(C)CCNCCCNC(=O)CN1C(=O)C(=O)N(C)C1=O 1167568225 XVCSFASGHUJEQA-UHFFFAOYSA-N 310.354 -0.531 30 20 DBED COCC#CCNCCCNC(=O)C(C)(C)N1CCOCC1 1168434965 UQJCUBUQUMNLES-UHFFFAOYSA-N 311.426 -0.157 30 20 DBED C=CCNCCCC[C@H](C)NC(=O)Cn1ccc(=O)n(C)c1=O 1171121197 QWOPTTVKLGFVNE-ZDUSSCGKSA-N 322.409 -0.002 30 20 DBED C#CCOc1ncccc1C(=O)NCCCNC[C@H](O)COC 1171549308 ZPNLBMKCMCIAIS-ZDUSSCGKSA-N 321.377 -0.190 30 20 DBED CNC(=O)c1cccc(C(=O)NCCCNCC#CCOC)n1 1174936072 SZWAYAURVFFWHA-UHFFFAOYSA-N 318.377 -0.200 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1noc2c1COCC2 1176606444 XHJYZCKRIFGMKL-UHFFFAOYSA-N 320.349 -0.794 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@H]1CCc2c[nH]nc2C1 1176618464 WGIMZJNLAOUVIG-LBPRGKRZSA-N 317.393 -0.640 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CCO[C@H]2C=C)[C@H]1C 1179561600 KHSHRKUOHXVCNB-XGUBFFRZSA-N 319.405 -0.094 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)c2cnon2)[C@H]1C 1179750134 ADCCCWRCFMMCIR-DCAQKATOSA-N 305.338 -0.600 30 20 DBED C=CCOCC(=O)N1C[C@@H](C)[C@](C)(CNCc2nnn(C)n2)C1 1180900209 ZGTBSRZTCGMFCE-IUODEOHRSA-N 322.413 -0.013 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2cc(Cl)n(C)n2)C1 1184107059 BTFHFKRLNPOYNN-SNVBAGLBSA-N 323.784 -0.373 30 20 DBED C=CCn1cc(C(=O)N2CC[C@@H](N[C@H](C)C(=O)N(C)C)C2)nn1 1186177661 QEKJIFOUKTXZSU-VXGBXAGGSA-N 320.397 -0.255 30 20 DBED COCC#CCN1C[C@@H]2CCN(C(=O)c3nnn(C)c3C)[C@@H]2C1 1187439947 BXHJMCABMGHVSX-UONOGXRCSA-N 317.393 -0.080 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H]2CN(CCC[C@H](C)O)C[C@H]21 1187591237 ICXGTBFXTCJPDR-SOUVJXGZSA-N 321.421 -0.180 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H]2CN(CCCOC)C[C@H]21 1187598218 IARIVCYYVNJPHC-UONOGXRCSA-N 307.394 -0.305 30 20 DBED C[C@@H](C(=O)N1CC[C@@H](NCC(=O)NCC#N)C1)C1CCOCC1 1188483518 UGWWHAVTVOXSTR-TZMCWYRMSA-N 322.409 -0.121 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)Cc2ccnn2C)C1 1189872774 AJRJWGSSEDRJLJ-CQSZACIVSA-N 317.393 -0.755 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@H](N(C)CC(=O)NCC=C)C1 1190095351 TUEGMOXPHMDIMT-KGLIPLIRSA-N 307.394 -0.140 30 20 DBED C[C@@H]1[C@H](C(=O)N2CC[C@H](N(C)CC(=O)NCC#N)C2)CCN1C 1190238726 OXCPOVMBSDDRII-HZSPNIEDSA-N 321.425 -0.501 30 20 DBED C=C(C)CCN(C)[C@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 1190246930 HTTCKDDRTODBMU-LBPRGKRZSA-N 320.397 -0.124 30 20 DBED N#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C[C@@H]2C[C@H]2C2CC2)C1 1194832411 OAQHOGILGFLNRB-IGQOVBAYSA-N 320.393 -0.776 30 20 DBED N#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CCCOC2)CC1 1195182871 YBKWBJUGXSEYMR-CYBMUJFWSA-N 308.382 -0.413 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)CCc2nc[nH]n2)CC1 1195443885 KMKODTBSDKOMCT-UHFFFAOYSA-N 318.381 -0.979 30 20 DBED Cc1cc(C(=O)N2CCC(NCC(=O)NCC#N)CC2)ncn1 1200095823 MQUDEIASGKXDOL-UHFFFAOYSA-N 316.365 -0.381 30 20 DBED N#CCNC(=O)CNC1CCN(C(=O)[C@@H]2C[C@]23CCOC3)CC1 1203229365 ORMOWYAPDXFGOM-BBRMVZONSA-N 320.393 -0.367 30 20 DBED C[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 1206875532 PDRMCMADBHWHDH-LDYMZIIASA-N 318.337 -0.869 30 20 DBED CCC(=O)N[C@H](C)C(=O)N1CCC[C@@H](NCC(=O)NCC#N)C1 1208121969 TXTFJKDPWIUEGM-VXGBXAGGSA-N 323.397 -0.879 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCN(C(=O)CCn2ccnc2)C1 1208848144 BSDVGIBZYQJJQQ-CYBMUJFWSA-N 318.381 -0.506 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)C2CC=CC2)[C@H](OC)C1 1212064539 ZJTLVXXDISEVIJ-BPLDGKMQSA-N 319.405 -0.094 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)[C@@H]2CCN(C)C2)[C@H](OC)C1 1213856975 BRJZRNSMISNWNP-MGPQQGTHSA-N 324.425 -0.944 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)Cc2ncc[nH]2)C[C@H]1C 1216064998 KMRZXNFZOOIYAY-JHJVBQTASA-N 317.393 -0.473 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@]2(C)CCCOC2)C[C@H]1C 1216090283 CTDLGXODNOLSRJ-CKEIUWERSA-N 321.421 -0.011 30 20 DBED COCC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)Cc1cnoc1 1218510605 SYALHFINIQKAMQ-LSDHHAIUSA-N 319.361 -0.222 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2cncs2)C1 1219270094 XFFZLRNOLMVXGG-ZJUUUORDSA-N 310.379 -0.780 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)CCc2ncccn2)C1 1220592024 RBGCPWLKLWYTDU-KGLIPLIRSA-N 318.377 -0.780 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2cn(CC)nn2)C[C@@H]1O 1221145428 BQIHHYFJPBALLR-BNOWGMLFSA-N 323.397 -0.450 30 20 DBED CC(C)OCCC(=O)N1C[C@H]2CCN(CC(=O)NCC#N)C[C@H]21 1221288518 ZWIDZLCUOPCESE-ZIAGYGMSSA-N 322.409 -0.026 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)NC(C)=O 1224658530 UKYROXUOXLNUSB-MRVWCRGKSA-N 322.409 -0.723 30 20 DBED C=CCNC(=O)[C@H](C)N1CCC(NC(=O)CC(=O)NCC)CC1 1227007274 ZPPHBBZDJPFOMA-LBPRGKRZSA-N 324.425 -0.216 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)c1ccccn1 1230578101 GWRABHQFXPZFIX-CYBMUJFWSA-N 300.362 -0.023 30 20 DBED C#CCOCCNC(=O)C(=O)N(C)[C@@H](C)C1CCN(C)CC1 1260310435 XXZNRQFXRGWRED-ZDUSSCGKSA-N 309.410 -0.059 30 20 DBED Cc1csc(CCNC(=O)C(=O)N2CC[C@](O)(CC#N)C2)n1 1261463861 CHDZXPVUOAGSLS-CQSZACIVSA-N 322.390 -0.013 30 20 DBED C=CCNC[C@@H]1CCCCN1C(=O)Cn1cnc(C(N)=O)n1 1281861952 JCRNUJMVHNHFNY-NSHDSACASA-N 306.370 -0.466 30 20 DBED N#CCNC(=O)CN1CCC[C@@H](NC(=O)c2ccccn2)C1 1317918286 AKTLZPQSTVZBOP-GFCCVEGCSA-N 301.350 -0.084 30 20 DBED CC(C)CNC(=O)CNC(=O)C(=O)Nc1ccn(CCC#N)n1 1319037217 IPGKBGSRZBSWKZ-UHFFFAOYSA-N 320.353 -0.376 30 20 DBED C#C[C@@H](CCC)NC(=O)C(=O)Nc1cnn(CC(=O)NC)c1 1320726542 KJGWZVXXZYYPIV-JTQLQIEISA-N 305.338 -0.514 30 20 DBED N#CCNC(=O)CNC(=O)CCCNC(=O)c1cccnc1 1324390911 CAJXTQBKNXWIJO-UHFFFAOYSA-N 303.322 -0.652 30 20 DBED C#CCNC(=O)C1CCN(C(=O)NCC(=O)NCC(C)C)CC1 1325951265 GTUUKCVXAQTXKP-UHFFFAOYSA-N 322.409 -0.070 30 20 DBED CCCCN(CCCO)C(=O)C(=O)N1CC[C@](O)(CC#N)C1 1327040696 VBGNETYTIRJJDF-OAHLLOKOSA-N 311.382 -0.125 30 20 DBED CNS(=O)(=O)N1CCC(C(=O)OCCO[C@@H](C)C#N)CC1 1341126777 ZZJUALLFBQWJNM-JTQLQIEISA-N 319.383 -0.366 30 20 DBED CN(CCCNC(=O)N1CC[C@](O)(CC#N)C1)S(C)(=O)=O 1347190988 AQUSKFJSWLXOQK-GFCCVEGCSA-N 318.399 -0.672 30 20 DBED C=CCNC(=O)Cn1nnnc1N1C[C@H](C)O[C@@H](COC)C1 1355583056 VFOKLBPXSSSKOM-WDEREUQCSA-N 310.358 -0.785 30 20 DBED C[C@@H](C(=O)NCC1(C(N)=O)CCOCC1)n1cnc(C#N)n1 1361792976 QVZQBKPGMGETPI-VIFPVBQESA-N 306.326 -0.891 30 20 DBED CN(CCNC(=O)Cn1cc(C#N)c(O)nc1=O)C1CCCC1 1361818337 IGPIVVSYADGVKX-UHFFFAOYSA-N 319.365 -0.189 30 20 DBED N#Cc1ncn(CC(=O)NC2CCN([C@H]3CCOC3=O)CC2)n1 1362273247 XDALYKMURHUPHW-NSHDSACASA-N 318.337 -0.954 30 20 DBED COCC1(N(C)C(=O)CCn2cc(C#N)c(O)nc2=O)CC1 1362664272 WHIVTVRRVBIVMT-UHFFFAOYSA-N 306.322 -0.152 30 20 DBED Cc1onc(CC(=O)N2CCN(c3nc[nH]n3)CC2)c1C#N 1362871212 WUJUDJYHRXRTIT-UHFFFAOYSA-N 301.310 -0.136 30 20 DBED CC(C)(C#N)CS(=O)(=O)NC[C@@H](O)CN1CCCC1=O 1363789887 YVLZLGAKQOJIPW-SNVBAGLBSA-N 303.384 -0.561 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]1CN(C)C(=O)CCn1cnnn1 1371636260 YAUBXHWJUAUPSC-QWRGUYRKSA-N 305.342 -0.718 30 20 DBED Cc1ccn(CC(=O)NCC2CN(C(=O)[C@@H](C)C#N)C2)c(=O)c1 1374831633 KWXNMQHATKMPLE-LBPRGKRZSA-N 316.361 -0.109 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)C12CCCN1CCC2 1389123575 LYOVATCFMCTVOO-RYUDHWBXSA-N 308.382 -0.632 30 20 DBED C[C@H](CNC(=O)CN1CCCNC1=O)CNC(=O)[C@H](C)C#N 1409719256 PPGVKFGIJIVMLB-GHMZBOCLSA-N 309.370 -0.570 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@@H]2CNC(=O)Cn2cncn2)c1 1417084037 KUSNXLYTUKDZFN-LLVKDONJSA-N 313.321 -0.491 30 20 DBED COC(=O)[C@@H](CC1CC1)NC(=O)Cn1cc(C#N)c(O)nc1=O 1418095287 ZRMQSHVLQOHATB-SNVBAGLBSA-N 320.305 -0.722 30 20 DBED C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)NCc1nc(=O)n(C)[nH]1 1419715412 RQYCOOJCMDTIEY-QMMMGPOBSA-N 303.326 -0.784 30 20 DBED C[C@H](C#N)C(=O)N1CCN(CCNC(=O)c2cncn2C)CC1 1427695422 OXKKFYKFHBWXGH-GFCCVEGCSA-N 318.381 -0.546 30 20 DBED CCN(CCNC(=O)[C@H](C)NS(C)(=O)=O)C(=O)[C@@H](C)C#N 1429708324 JKSYRWQPQTZGBP-UWVGGRQHSA-N 318.399 -0.952 30 20 DBED CCC(=O)NCC(=O)N[C@H](C)CNC(=O)c1cc(C#N)c[nH]1 1433384404 PSQWPTWXVZJXFY-SECBINFHSA-N 305.338 -0.353 30 20 DBED CCC(=O)NCC(=O)N1C[C@H]2CCN(C(=O)[C@H](C)C#N)C[C@H]21 1445689566 LHQYJPPNQXSUFY-IJLUTSLNSA-N 306.366 -0.268 30 20 DBED CN(CCNC(=O)c1cc(C#N)c[nH]1)C(=O)c1ncn(C)n1 1448777581 ARWCCZPFEAXTRK-UHFFFAOYSA-N 301.310 -0.483 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1ncoc1C1CC1 1452405433 HSFBKGJHFHQTCT-WPRPVWTQSA-N 306.322 -0.081 30 20 DBED Cc1cc(CC(=O)NC[C@]2(O)CCN(C(=O)[C@@H](C)C#N)C2)no1 1454090508 YAOMNUJJBCWERD-ZUZCIYMTSA-N 320.349 -0.235 30 20 DBED CCCN(CCNC(=O)c1cc(C#N)c[nH]1)C(=O)CNC(C)=O 1455787385 KXGMJSIDJHQYDC-UHFFFAOYSA-N 319.365 -0.009 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1cnn(C)c1C1CC1 1458021885 VNRTWNVJNQQXGX-GXSJLCMTSA-N 319.365 -0.336 30 20 DBED COCCn1cc(C(=O)N2CC(CNC(=O)[C@H](C)C#N)C2)cn1 1498676526 DPYNHHSJOYGEHN-LLVKDONJSA-N 319.365 -0.123 30 20 DBED CNC(=O)NCC(=O)N[C@](C)(CNC(=O)[C@H](C)C#N)C1CC1 1499647161 TUNSZZMDCOLECP-YMTOWFKASA-N 309.370 -0.524 30 20 DBED C#CC1(O)CCN(C(=O)NCC2(CS(C)(=O)=O)CC2)CC1 1519063878 YEKNMXCIPRGVSZ-UHFFFAOYSA-N 314.407 -0.019 30 20 DBED C=CCNC(=O)CN1CCC(N(C)C(=O)[C@H]2C[C@H]2C(=O)O)CC1 1573369029 VNVTZKOAKYTWSM-QWHCGFSZSA-N 323.393 -0.068 30 20 DBED NC[C@@H]1CN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)CCCO1 1580268961 PZECWWKQHQQRMQ-BFWGRDPESA-N 322.365 -0.521 30 20 DBED C#CC1(O)CN(C(=O)[C@H](C)Oc2ccc(-c3nn[nH]n3)cc2)C1 1588333394 PEQGZPDSZQDLFH-JTQLQIEISA-N 313.317 -0.160 30 20 DBED C=CCOCCCNC(=O)[C@@H](C)n1cnc(-c2nn[nH]n2)n1 1588681949 JCCGORJXBCGGGM-SECBINFHSA-N 306.330 -0.272 30 20 DBED C[C@H]1CN(C(=O)C2CC3(CNC[C@@H]3C#N)C2)C[C@@H](C(=O)O)O1 1599914357 MWUWDKULUKMYTL-JLCINKGISA-N 307.350 -0.174 30 20 DBED C=CC(C)(C)CC(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]2C(=O)O)C1 1602805533 AAUCRTXAXRCMRJ-GHMZBOCLSA-N 324.377 -0.001 30 20 DBED C=CCOC[C@H](NC(=O)[C@]12C[C@H]3C[C@H](C(=O)N1)[C@H]2C3)C(=O)O 1602909679 CMQSTLPZXPKVMT-KVYUDQOQSA-N 308.334 -0.327 30 20 DBED C[C@@H](C#N)C(=O)NC/C=C/CN=c1cc[nH]c(-c2nn[nH]n2)n1 1602982949 BQDWUEYDJWZLTH-HPOULIHZSA-N 313.325 -0.677 30 20 DBED N#Cc1cn(CC(=O)N2C3CCC2(C(=O)O)CC3)c(=O)nc1O 1608222678 HDICJTOYYSPSPG-UHFFFAOYSA-N 318.289 -0.571 30 20 DBED C=CCOC[C@H](NC(=O)Cn1c(C)cc(C)nc1=O)C(=O)O 1609443236 WJSOSKYLTMCPJC-NSHDSACASA-N 309.322 -0.368 30 20 DBED COC(=O)c1cc(C#N)c(=O)n(C[C@@H]2CC(C(=O)O)=NO2)c1 1610195746 LDHAYAGBRIYABQ-VIFPVBQESA-N 305.246 -0.264 30 20 DBED N#Cc1ccc(C(=O)OCC(=O)N[C@H]2CCS(=O)(=O)C2)o1 1647204351 LANZRUGPNOQDKS-QMMMGPOBSA-N 312.303 -0.389 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@H](C)N(C)C(=O)c1cnnn1C 1753690860 XUWJTPHLKOCYIQ-QWRGUYRKSA-N 306.370 -0.997 30 20 DBED COCC#CCN(C)CCN(C)C(=O)[C@H]1CCN(C)C(=O)C1 1753857133 GQOZZAVUYDUICP-AWEZNQCLSA-N 309.410 -0.105 30 20 DBED CC(C)C#CC(=O)NC[C@]1(O)CCN(CC(=O)NCC(C)C)C1 1754748166 GEBVVHUYZPOBAB-QGZVFWFLSA-N 323.437 -0.029 30 20 DBED C=CCN1CC[C@@H](N2CC(O)(CNC(=O)c3ccon3)C2)C1=O 1754765527 NPWRVMHODOTLRC-GFCCVEGCSA-N 320.349 -0.762 30 20 DBED C=CCN[C@H](C)[C@@H]1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)C1 1754795682 RNZLANHGKKNCGI-CHWSQXEVSA-N 320.393 -0.440 30 20 DBED N#CCSCC(=O)N1C[C@@H]2CN(CCOCCO)C[C@@H]2C1 1754840977 IWUMSQIMXASNCD-BETUJISGSA-N 313.423 -0.358 30 20 DBED N#CCNC[C@H]1CN(C(=O)[C@H]2CCc3ncncc3C2)CCO1 1754999742 DJJBSHDZJNRURH-JSGCOSHPSA-N 315.377 -0.078 30 20 DBED C=CCCCN[C@@H](C)[C@H](C)NC(=O)Cn1ccc(=O)n(C)c1=O 1755237067 NAXGNBALAPPEQL-STQMWFEESA-N 322.409 -0.004 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@H](C)N(C)CCN1CCNC1=O 1755298993 PNYCFAYIMKXRFC-SWLSCSKDSA-N 312.414 -0.225 30 20 DBED C=CCCn1cc(C(=O)N[C@H]2C[C@H](CN[C@@H](C)C(N)=O)C2)nn1 1755481334 ZUCXCEYZIBQEIL-SRVKXCTJSA-N 320.397 -0.174 30 20 DBED C#CCNC(=O)CNC[C@H]1CC[C@H](NC(=O)c2cnccn2)C1 1755730345 ZLCWWUZIADGCDB-STQMWFEESA-N 315.377 -0.286 30 20 DBED C=CCCC(=O)NC[C@H](O)CN(C)C(=O)c1cnn(C)c1N 1756659938 XGXUYZQCNGISNY-JTQLQIEISA-N 309.370 -0.482 30 20 DBED CN1CCC(C(=O)N(C)C[C@H](O)CNC(=O)C#CC2CC2)CC1 1756667873 CMFHFFFMDJUQJT-OAHLLOKOSA-N 321.421 -0.323 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H](O)CN(C)C(=O)c1cnco1 1756671018 RNHQCKSJONHAKF-QWRGUYRKSA-N 309.322 -0.738 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(C(=O)C2(CC)CC2)C[C@H]1O 1756997005 CDGFOWGAKPIWRQ-YNEHKIRRSA-N 308.378 -0.097 30 20 DBED COc1cc(C(=O)O)ccc1C=NNCCS(N)(=O)=O 1776047190 ZPLMWKWSKYFSSU-UHFFFAOYSA-N 301.324 -0.395 30 20 DBED COCC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CC#N)C3)CC1 1793335940 ZIPZCUPBFCACIN-DABQJJPHSA-N 321.377 -0.084 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCC=CO1 1797722101 YUYIRLXWPSZQES-QVHKTLOISA-N 304.346 -0.098 30 20 DBED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)c1cnco1)C2 1846194667 CHQVKLMBQNRINJ-UHFFFAOYSA-N 303.274 -0.420 30 20 DBED C=CC[C@H](C)NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 116856555 RWSZENXOOCDABN-VIFPVBQESA-N 305.338 -0.486 30 20 DBED C[C@]1(NS(=O)(=O)c2ccc(C#N)nc2)CCS(=O)(=O)C1 165662122 CTPSTMNUUXLZTG-NSHDSACASA-N 315.376 -0.191 30 20 DBED CNC(=O)[C@@H](NC(=O)CN1CCOC[C@@H]1C#N)c1ccccc1 177112304 LRYAJGBLKCFKGQ-ZFWWWQNUSA-N 316.361 -0.186 30 20 DBED CN(CCN1CCNCC1)S(=O)(=O)c1cccnc1C#N 234267335 GOZHUDQRQIVQLA-UHFFFAOYSA-N 309.395 -0.521 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)CCn2ccnc2)CC1 265005570 LTLIPEMMAPVXTG-UHFFFAOYSA-N 317.393 -0.443 30 20 DBED N#Cc1ccc(NC(=O)C(=O)N2CCN3C(=O)NC[C@@H]3C2)cc1 267599877 ALTFQZJBTYFEQQ-GFCCVEGCSA-N 313.317 -0.267 30 20 DBED C#CCN(CC#N)C(=O)CNS(=O)(=O)CCOC(C)C 281964066 KQGLXGXVMPIWJJ-UHFFFAOYSA-N 301.368 -0.684 30 20 DBED CN(Cc1ccco1)C(=O)Cn1c(=O)c(C#N)cn(C)c1=O 294888556 FWRZUYUPSKNARC-UHFFFAOYSA-N 302.290 -0.330 30 20 DBED C=C(C)CN(CC)C(=O)C(=O)N1CCN(S(C)(=O)=O)CC1 298002562 ZAGYCGCHAHTFBP-UHFFFAOYSA-N 317.411 -0.485 30 20 DBED N#CCCN1CCN(S(=O)(=O)c2cc(C(=O)O)ccn2)CC1 320189493 ZZLMBJUXGCFVGQ-UHFFFAOYSA-N 324.362 0.000 30 20 DBED CN1C[C@@H](/N=C(/O)N[C@H]2CCO[C@@H]2c2nccn2C)CC1=O 328974337 CJGZZEFFDHAXDK-NHCYSSNCSA-N 307.354 -0.016 30 20 DBED CN1CCO[C@@H]2CN(/C(O)=N/CCN3CCN=C(O)C3)C[C@H]21 329266660 CWNKXVACTDYFGK-VXGBXAGGSA-N 311.386 -0.813 30 20 DBED COCCN(/C(O)=N/[C@@H]1[C@H]2COC[C@H]21)[C@H]1CCS(=O)(=O)C1 330031256 SXDAPNCHWDQRSH-NNYUYHANSA-N 318.395 -0.319 30 20 DBED CC[C@H](C)NC(=O)CN1CCN(CC(=O)N/C(O)=N/C)CC1 330439672 REOKMVBSOLAVEJ-NSHDSACASA-N 313.402 -0.821 30 20 DBED CN(C(=O)CNc1ccc(C#N)cn1)[C@@H]1CCS(=O)(=O)C1 330565179 VPVUUEPVRILPGH-LLVKDONJSA-N 308.363 0.011 30 20 DBED CC(=O)NC[C@@H]1CN(CC(=O)N/C(O)=N/C(C)(C)C)CCO1 330817422 LWEZOCJGKSIKJB-LLVKDONJSA-N 314.386 -0.348 30 20 DBED Cc1c(CN/C(O)=N/CCNS(=O)(=O)N(C)C)cnn1C 331229257 GGCMTMUOAVXZKC-UHFFFAOYSA-N 318.403 -0.872 30 20 DBED C[C@H](O)CN(/C(O)=N/CC(=O)N1CCCCC1)[C@@H](C)CO 331289961 OLFWQJPJKNZGGP-RYUDHWBXSA-N 301.387 -0.024 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)NCC1(CS(C)(=O)=O)CC1 331804457 UAYZVUCPFUSSGA-SNVBAGLBSA-N 323.440 -0.263 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N[C@H]1CC(=O)N(C2CC2)C1 331806469 WPDFIKKYOGZDHQ-ZJUUUORDSA-N 300.384 -0.324 30 20 DBED COCCN(CCC#N)S(=O)(=O)NC[C@@H]1COCCO1 336912060 JBJBUEXKDVPXSE-LLVKDONJSA-N 307.372 -0.902 30 20 DBED CNC(=O)[C@@H]1CCCCN1S(=O)(=O)N1CCO[C@H](C#N)C1 336936804 GJTBOXBRBKVPCQ-MNOVXSKESA-N 316.383 -0.944 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1CCO[C@@H](C#N)C1 337092270 MDOMVUYPLYXMDG-NSHDSACASA-N 302.356 -0.682 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)NC[C@H]2CC[C@H](CO)O2)cc1 349487151 LPUBTAHATCNOPO-ZIAGYGMSSA-N 317.345 -0.056 30 20 DBED C=CCNC(=O)Cc1noc(Cn2nc3n(c2=O)CCCC3)n1 351424719 FBCGILHIOXWFSA-UHFFFAOYSA-N 318.337 -0.343 30 20 DBED CC[C@H](C)[C@H](NC(=O)Cn1cncc(C#N)c1=O)C(=O)OC 351773772 MINRBEZUTCVIHD-CABZTGNLSA-N 306.322 -0.181 30 20 DBED CC[C@](C)(C#N)C(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 352983556 IOSUONNGFZNUMA-XJKSGUPXSA-N 322.409 -0.024 30 20 DBED COC(=O)CN(CC#N)C(=O)CNC(=O)c1ccc(C#N)cc1 353424014 BMKFAHFHDFSJBX-UHFFFAOYSA-N 314.301 -0.187 30 20 DBED C=C[C@H](CO)NC(=O)C(=O)Nc1cccc(Cn2cncn2)c1 354698328 UVHPYMKLTMOUET-GFCCVEGCSA-N 315.333 -0.072 30 20 DBED C=C(C)COCCNC(=O)N1CCS(=O)(=O)[C@H](C(=O)O)C1 424411614 OTQSIOAPXMDZHW-JTQLQIEISA-N 320.367 -0.528 30 20 DBED CNC(=O)N[C@@H]1CCN(S(=O)(=O)c2cccnc2C#N)C1 428389831 ACSHQAOKJAGQRS-SECBINFHSA-N 309.351 -0.355 30 20 DBED N#CCC1(O)CN(S(=O)(=O)c2cccc(-n3cnnn3)c2)C1 440096850 ZUZFXGANQZWIFM-UHFFFAOYSA-N 320.334 -0.689 30 20 DBED C#CCN(C)CCCNC(=O)N[C@@H](CC)C(=O)N1CCOCC1 491766139 GMKDHGXUGQIUQQ-AWEZNQCLSA-N 324.425 -0.122 30 20 DBED N#Cc1ccc(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)O)cc1F 570113709 GXLNLFLDRSOFOZ-VIFPVBQESA-N 315.282 -0.696 30 20 DBED Cc1[nH]nc(NC(=O)[C@@H]2CCCCN2S(C)(=O)=O)c1C#N 588718242 LJWIRDFRRDLGRG-JTQLQIEISA-N 311.367 0.342 30 20 DBED Cc1ncc(S(=O)(=O)Nc2n[nH]cc2C(N)=O)cc1C#N 589965481 FCPJCUDHCVMOKU-UHFFFAOYSA-N 306.307 -0.116 30 20 DBED CC#CC[C@@H](CO)NC(=O)C(=O)Nc1cc(C(=O)OC)n(C)c1 592319791 VBBLZMJQVDDEJU-JTQLQIEISA-N 321.333 -0.359 30 20 DBED CN1CCN(C(=O)C(=O)NCc2ccc(C#N)cc2F)CC1=O 593928257 NLUXEGLVPVDNLP-UHFFFAOYSA-N 318.308 -0.386 30 20 DBED C[C@H]1CCC[C@](C#N)(NC(=O)CNS(=O)(=O)N(C)C)C1 597258406 NILDQRDUORVUCH-JQWIXIFHSA-N 302.400 -0.029 30 20 DBED N#Cc1cc(C(=O)NC[C@@H](O)C(N)=O)cnc1C(F)(F)F 597586769 PUOFDSXCNLGPEH-SSDOTTSWSA-N 302.212 -0.452 30 20 DBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)Cn1cncn1 610690387 KHXIKRRWJBXRCK-LLVKDONJSA-N 312.337 -0.323 30 20 DBED CS(=O)(=O)N[C@H]1CCCN(S(=O)(=O)CC2(C#N)CC2)C1 613261712 IFAWJKGHFLCGMN-JTQLQIEISA-N 321.424 -0.366 30 20 DBED COc1cc(C#N)ccc1OCC(=O)NCc1nnnn1C 614712647 NQSQKECMJRIXSZ-UHFFFAOYSA-N 302.294 -0.214 30 20 DBED CN(C)c1ncncc1NC(=O)C(=O)N1CC[C@@](F)(C#N)C1 615629803 UBZHAONRGWKAAP-CYBMUJFWSA-N 306.301 -0.055 30 20 DBED C=CCCOCCNC(=O)C(=O)NC[C@H]1CC(=O)N(CC)C1 653419589 MXURKGLJQADXQB-GFCCVEGCSA-N 311.382 -0.320 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)[C@H](C)CS(C)(=O)=O 747078479 YDNPQJRKXAAXGM-MRVPVSSYSA-N 306.340 -0.778 30 20 DBED C#CCNS(=O)(=O)N1CCN(CCC(=O)OC(C)C)CC1 761022756 DGWAEUKXLFHWDH-UHFFFAOYSA-N 317.411 -0.587 30 20 DBED C[C@@H](C#N)COC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C 770947319 XQEWUXWLKULKCO-QMMMGPOBSA-N 302.290 -0.051 30 20 DBED C=C(CC)COC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 773466518 DQAFJCGTQFIVFY-UHFFFAOYSA-N 306.322 -0.057 30 20 DBED N#C[C@@H]1CSCCN1C(=O)Cn1[nH]cc2c(=O)ncnc1-2 775497297 HALIEZZUPWZYOL-MRVPVSSYSA-N 304.335 -0.461 30 20 DBED C[C@@H]1[C@@H](C)N(C(=O)C(=O)Nc2cnn(CC#N)c2)CCN1C 785297829 SWTQUCUZCPZJRK-GHMZBOCLSA-N 304.354 -0.104 30 20 DBED C=C(CN(C)C)C(=O)Nc1cnn(CC(=O)NCCOC)c1 791369619 AQTPWTVXAXBVII-UHFFFAOYSA-N 309.370 -0.298 30 20 DBED C#Cc1cc(F)c(NC(=O)C(=O)N[C@@H]2CNC(=O)C2)c(F)c1 802572025 SJAKDIGBMDBCCM-QMMMGPOBSA-N 307.256 -0.111 30 20 DBED CN(C)c1c(C=NNc2cccnn2)c(=O)n(C)c(=O)n1C 807971633 CQSDMHPNDXJECJ-UHFFFAOYSA-N 303.326 -0.614 30 20 DBED C[C@](C#N)(CC(=O)O)C(=O)N1CCC[C@H](CS(N)(=O)=O)C1 819811438 ORPFDQHGJQQWPR-JOYOIKCWSA-N 317.367 -0.482 30 20 DBED N#Cc1ccc(NCCCc2[nH]nc(N)c2-c2nn[nH]n2)nn1 826385559 RDMQVERGSLWQMZ-UHFFFAOYSA-N 311.313 -0.122 30 20 DBED C=CCNC(=O)NC(=O)Cn1nc(C(=O)O)cc1C(=O)OC 833376650 MSTOEQHLTYVFMD-UHFFFAOYSA-N 310.266 -0.620 30 20 DBED C#CCn1cc(CNC(=O)CN(C)c2ncnc3[nH]cnc23)cn1 834606965 ZBBGMLDMAULBDI-UHFFFAOYSA-N 324.348 -0.065 30 20 DBED C#C[C@@H](C)NS(=O)(=O)CCCS(=O)(=O)N[C@@H](C)C#N 848965752 WOMXYNMYFRBFQP-ZJUUUORDSA-N 307.397 -0.851 30 20 DBED C/N=C(/NCCS(=O)(=O)NC[C@H]1CCCCO1)NC1CC1 849008195 XOZJVZZRWLTPJY-GFCCVEGCSA-N 318.443 -0.198 30 20 DBED C#C[C@H](NC(=O)C(=O)NC[C@@H](C(=O)O)C1CCC1)[C@H]1CCCO1 853345831 KRSONFIELRVELO-FRRDWIJNSA-N 322.361 -0.100 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)NCC[S@](=O)CC 875196643 AIIFRSCBNILJIL-BIBXISHDSA-N 302.396 -0.584 30 20 DBED C#CC1(O)CN(C(=O)C[C@](O)(c2nccn2C)C(F)(F)F)C1 890521672 OHERPQHLJOQBAR-LBPRGKRZSA-N 317.267 -0.233 30 20 DBED N#CCCN1CCN(C(=O)C(=O)NC[C@@H]2CCCCCN2)CC1 911558372 WWXDJODFQYISAX-AWEZNQCLSA-N 321.425 -0.307 30 20 DBED C#Cc1cccc(NC(=O)CNC(=O)CCNS(C)(=O)=O)c1 918343785 MIGVKDSSLPAXEF-UHFFFAOYSA-N 323.374 -0.338 30 20 DBED COCCNC(=O)[C@H](C#N)C(=O)Cn1c(C)c(C)sc1=O 920107921 JZXZVPIYAHBQQV-SNVBAGLBSA-N 311.363 -0.002 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CCn1cnnn1 937563131 RCXMWVNIHJQKFV-DCAQKATOSA-N 303.326 -0.965 30 20 DBED Cn1nncc1C(=O)N[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 937888961 LCYLWGDUTQGAFQ-JTQLQIEISA-N 313.321 -0.341 30 20 DBED C=CCCN1CC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C[C@@H]1C 947323828 NEEQJFVKSZQXQK-NWDGAFQWSA-N 320.397 -0.078 30 20 DBED CN(C(=O)[C@H]1C[C@H]1C(N)=O)C1CN(C(=O)c2ccc(C#N)[nH]2)C1 955346256 GATHOXWQVMNFOH-MNOVXSKESA-N 315.333 -0.709 30 20 DBED C#CCOc1ccc(C(=O)NC2[C@H]3CN(CC(N)=O)C[C@H]23)cc1 961994146 ODUAZNMILLXREM-KBPBESRZSA-N 313.357 -0.156 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)c1cnn(C)c1 964070193 HFLJCAUQZUKARB-CMPLNLGQSA-N 305.338 -0.463 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)c1ccnnc1 964380632 WTOLAGCGVMZDFY-CMPLNLGQSA-N 303.322 -0.407 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H](NC(=O)Cn2ncnn2)CC1 964929549 WCYKCFOFDZLEPE-WDEREUQCSA-N 305.342 -0.670 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1COC2(C1)CN(C(=O)CC)C2 965735232 HVUIVVVMTBLWMK-KGLIPLIRSA-N 319.405 -0.020 30 20 DBED C#CCN(C)[C@@H]1CCN(C(=O)[C@H](Cn2cccn2)N(C)C)C1 971676168 CKNZCFAZHYPYEO-CABCVRRESA-N 303.410 -0.021 30 20 DBED C#CCN(C)[C@H]1CCN(C(=O)c2ccc(-n3cnnn3)cn2)C1 972006901 VYDZGARVGOQLPF-ZDUSSCGKSA-N 311.349 -0.163 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)CN3CCCC3=O)C2)C1 972250391 ZCPRXLADMPXXON-INIZCTEOSA-N 305.378 -0.455 30 20 DBED CN(C[C@H]1CCN1C(=O)C#CC1CC1)C(=O)[C@H]1COC(=O)N1 977657909 PVAMHVVGRSFGIY-VXGBXAGGSA-N 305.334 -0.433 30 20 DBED C#Cc1cncc(C(=O)N(C)C[C@@H]2CCN2C(=O)CC(N)=O)c1 978362223 RCLHBCNXASOKNT-ZDUSSCGKSA-N 314.345 -0.389 30 20 DBED C=CCN(C)[C@@H]1CCN(C(=O)c2cn(CC(=O)N(C)C)nn2)C1 980482838 CNXRZRJSAYETPL-GFCCVEGCSA-N 320.397 -0.301 30 20 DBED C#CCN1CCCC2(C1)CN(C(=O)Cn1nc(C)n(C)c1=O)C2 982135298 AOQOVBLSOLJODB-UHFFFAOYSA-N 317.393 -0.552 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)Cn3cnnn3)C[C@@H]2C1 985706520 RNZFVKYLBFPODN-UTUOFQBUSA-N 317.353 -0.860 30 20 DBED C[C@@H]1C[C@@H](NCC#N)CN1C(=O)CN1C(=O)NC(=O)C1(C)C 989647431 WIUDQYVYMDMGDX-NXEZZACHSA-N 307.354 -0.581 30 20 DBED CC#CCN1CCCN(C(=O)[C@@H]2COCCN2C(C)=O)CC1 989699927 XMSMAZCYXJAFPN-HNNXBMFYSA-N 307.394 -0.209 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC(NC(=O)Cc3cncnc3)C2)c1 991070147 GMLKHMTXYYKEAG-UHFFFAOYSA-N 310.317 -0.140 30 20 DBED O=C(N[C@@H]1CCN(C(=O)C#CC2CC2)C[C@H]1O)c1n[nH]cc1F 991759218 SSAHJCBBCPVDQT-VXGBXAGGSA-N 320.324 -0.346 30 20 DBED C#CCN[C@@H]1CCC[C@H]2CN(C(=O)CN3CCNC(=O)C3)C[C@H]21 992777358 MXEZHBCCLLKIKR-RRFJBIMHSA-N 318.421 -0.732 30 20 DBED Cn1cccc(C(=O)NCC2CN(C(=O)C#CC3CC3)C2)c1=O 1003450646 KAEUEZVSWVLJIW-UHFFFAOYSA-N 313.357 -0.013 30 20 DBED C=CCCN1CCC[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C1 1007458004 UMGYJYPCMJWLPS-ZDUSSCGKSA-N 320.393 -0.296 30 20 DBED C=CCN1CCC[C@H](NC(=O)C2(n3cnnn3)CCOCC2)C1 1008821544 SPVPSYRZEMWXLD-ZDUSSCGKSA-N 320.397 -0.055 30 20 DBED C=CCn1cc(C(=O)NC2[C@H]3CN(C(=O)C(F)F)C[C@H]23)nn1 1013113245 IBIQUKDYQSQPAJ-YUMQZZPRSA-N 311.292 -0.084 30 20 DBED CN1C(=O)CC[C@@H]1C(=O)NC1[C@H]2CN(C(=O)C#CC3CC3)C[C@H]12 1013625226 NMOKZIXGNZRHEG-RWMBFGLXSA-N 315.373 -0.406 30 20 DBED CC#CCN1CC[C@@H](NC(=O)[C@@H]2CC(=O)N(CCOC)C2)C1 1014639220 XCQCRYYPOASBEO-ZIAGYGMSSA-N 307.394 -0.305 30 20 DBED Cn1nnnc1CN1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC1CC1 1017540715 OAXGONOYLDPRGQ-BETUJISGSA-N 300.366 -0.201 30 20 DBED C=CCN1C[C@@H]2CC[C@H](C1)N2C(=O)c1cn(CC(N)=O)nn1 1018303269 LLPACUOVQKOVBD-PHIMTYICSA-N 304.354 -0.762 30 20 DBED N#CCN1CC[C@H]2[C@H](CCCN2C(=O)CCn2cnnn2)C1 1021700147 OCNCYDITWSIUPI-OLZOCXBDSA-N 303.370 -0.100 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2C[C@@H](N[C@H]3CCC(=O)NC3=O)C2)[nH]1 1021980943 CQLJHQLSKWZQNZ-UMNHJUIQSA-N 315.333 -0.458 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cncc(F)c2)C1 1023368958 CDDJCMJJOSDACH-XXILOJSOSA-N 306.297 -0.318 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@H]3COC(=O)N3)C[C@H]2O)C1 1025524286 MWSMYJCQFSAQNR-GMTAPVOTSA-N 323.349 -0.861 30 20 DBED C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)CCn1cc[nH]c(=O)c1=O 1032686486 VFJPATXNAKSTQY-STQMWFEESA-N 316.361 -0.765 30 20 DBED CC#CCN1C[C@@H]2C[C@H]1CN2C(=O)Cn1nc(C)ccc1=O 1032744178 ZDGLGGQTPDAIGP-KBPBESRZSA-N 300.362 -0.140 30 20 DBED C#CCN1CCCC[C@@H](NC(=O)c2cnc(O)n(C)c2=O)C1 1034345994 XCRMJOFXNADTCN-LLVKDONJSA-N 304.350 -0.297 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@]1(O)CCN(C(=O)C(F)F)C1 1039722201 SYUIDGNMGHHMAT-RNCFNFMXSA-N 304.293 -0.631 30 20 DBED C#CCCCC(=O)N1CC[C@](O)(CNC(=O)c2cnn(C)n2)C1 1040303611 XCXSKAUNUUSFOI-HNNXBMFYSA-N 319.365 -0.688 30 20 DBED C=CCCC(=O)N1CC[C@@](O)(CNC(=O)[C@H]2CCNC2=O)C1 1040486439 UEXSAPDENBNUKV-XHDPSFHLSA-N 309.366 -0.832 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)c2cc(OC)n(C)n2)C1 1041956571 QLMCVONZTFPTET-UHFFFAOYSA-N 322.365 -0.302 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)c2ccn(C)c2)C1 1042536900 BYMXKQZGFHELQO-UHFFFAOYSA-N 307.350 -0.469 30 20 DBED CC(C)(F)C(=O)N1CC(O)(CNC(=O)c2ccc(C#N)[nH]2)C1 1042605921 RZELSYBUVHJJOF-UHFFFAOYSA-N 308.313 -0.062 30 20 DBED CN1CC[C@H](CC(=O)N2CC(O)(CNC(=O)C#CC3CC3)C2)C1 1042959450 ZSZZSFANNCHKTA-CQSZACIVSA-N 319.405 -0.569 30 20 DBED CCN(C)C(C)(C)C(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042963249 KPPIYFOAGLECCU-UHFFFAOYSA-N 321.421 -0.180 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(O)(CNC(=O)c2cncn2C)C1 1043750229 KMJLWKSNKRUPHA-AWEZNQCLSA-N 322.365 -0.950 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)Cc2cnc[nH]2)C1 1044474974 HHFWPSJJWCNZIR-UHFFFAOYSA-N 306.366 -0.146 30 20 DBED C#CCN[C@@H]1CCN(C(=O)CN2CCCS2(=O)=O)[C@H](C)C1 1044622937 LKPXBZDCIALHSF-CHWSQXEVSA-N 313.423 -0.376 30 20 DBED N#Cc1cncc(N2CC[C@@H]3CCN(C(=O)CC(N)=O)C[C@@H]32)n1 1044956692 MWUNUFSBASOBMW-JQWIXIFHSA-N 314.349 -0.349 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)COC2CCCC2)C1 1045540378 GXNSAJJUNSLSCZ-LLVKDONJSA-N 309.366 -0.205 30 20 DBED C=C(C)CN1CC[C@@H](N2CCN(C(=O)Cn3cnnn3)CC2)C1 1046001110 GAYKCMVZJHYGTC-CQSZACIVSA-N 319.413 -0.532 30 20 DBED CC#CCN1CC[C@H](N2CCN(C(=O)Cn3nccn3)CC2)C1 1046032304 ADKGXSXOJZEWSW-HNNXBMFYSA-N 316.409 -0.480 30 20 DBED C=C(C)CCN1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CCNC2=O)C1 1047406662 KXWWFYYWQUISJM-RDBSUJKOSA-N 309.410 -0.018 30 20 DBED Cc1nc2nccc(C(=O)NC[C@H]3COCCN3CC#N)n2n1 1051209335 IVLOJHQKZKASCT-NSHDSACASA-N 315.337 -0.613 30 20 DBED Cn1cc(C(=O)N[C@H]2CCCN(CC#N)CC2)c(=O)n(C)c1=O 1052762400 XEDHYZPEVOKSNZ-NSHDSACASA-N 319.365 -0.808 30 20 DBED C[C@H](C#N)C(=O)N1CCOC2(C1)CN([C@H]1CCCN(C)C1=O)C2 1053191400 QCGCZLSJAFSQQE-OLZOCXBDSA-N 320.393 -0.320 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)c1cc(C(N)=O)c[nH]1)CCO2 1053486315 VSRQCZCVZIVXFM-UHFFFAOYSA-N 316.361 -0.336 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)c1cn(C)c(=O)n1C)CCO2 1053545161 NXGMGWQXZKFIKY-UHFFFAOYSA-N 318.377 -0.726 30 20 DBED CC#CCN1CC2(CC[C@H](CNC(=O)[C@H]3CCNC3=O)O2)C1 1053643001 RNKVRCMQHZNCDS-OLZOCXBDSA-N 305.378 -0.505 30 20 DBED C=C(C)CN1CC2(CC[C@@H](CNC(=O)[C@H]3CNC(=O)N3)O2)C1 1053655477 LZQFWQZEXUSDDD-NWDGAFQWSA-N 308.382 -0.407 30 20 DBED C#CCN1CC2(CC[C@@H](CNC(=O)[C@@H]3CCCC(=O)N3C)O2)C1 1053693715 IPNNHISIMIIMTN-KBPBESRZSA-N 319.405 -0.020 30 20 DBED CC(C)N1C[C@@H](C(=O)N[C@@H]2COC3(C2)CN(CC#N)C3)CC1=O 1053818580 ONMVETKMXDMDSC-STQMWFEESA-N 320.393 -0.274 30 20 DBED CO[C@H](C)C(=O)NCCN1CCC(NC(=O)[C@@H](C)C#N)CC1 1055534246 FCBAAGBDZLXDGH-NWDGAFQWSA-N 310.398 -0.122 30 20 DBED CO[C@H](C)C(=O)NC1CCN(CCNC(=O)[C@@H](C)C#N)CC1 1055630188 WFNWVMSYIZPGSB-NWDGAFQWSA-N 310.398 -0.122 30 20 DBED Cc1n[nH]cc1C(=O)N[C@]1(CO)CCCN(C(=O)[C@H](C)C#N)C1 1056033945 RHWNBRLMQJHWAY-MEBBXXQBSA-N 319.365 -0.039 30 20 DBED Cc1cc(C#N)nc(N[C@@H]2CCN(C(=O)CS(C)(=O)=O)C2)n1 1056580838 OYWRAISERPMXEM-SNVBAGLBSA-N 323.378 -0.286 30 20 DBED C=CCO[C@H](C)C(=O)N1C[C@@H]2CCCN(C(=O)C(N)=O)[C@@H]2C1 1056711428 ONAAOTPTQTXSEB-GRYCIOLGSA-N 309.366 -0.488 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](N(C)c2ncnc3c2nnn3C)C1 1056871422 KLXZXBZTMDQBEM-VHSXEESVSA-N 314.353 -0.045 30 20 DBED C=CCCO[C@H](C)C(=O)NCCN(CCO)C(=O)[C@H](C)OC 1057112951 UTAPRKHBRUSVKI-OLZOCXBDSA-N 316.398 -0.060 30 20 DBED C=C[C@](C)(O)CC(=O)N(CCO)CCNC(=O)[C@H]1CC1(F)F 1057450169 MNTWRCDOWHRWSJ-MFKMUULPSA-N 320.336 -0.094 30 20 DBED C=C[C@H](C)[C@@H](C)C(=O)NCCN(CCO)C(=O)c1cnnn1C 1057474166 CWJBAEZMYRRZKM-NWDGAFQWSA-N 323.397 -0.176 30 20 DBED Cc1cc(C(=O)NCCN(CCO)C(=O)C#CC2CC2)n[nH]1 1057531177 HWQPDRSAWUVYQD-UHFFFAOYSA-N 304.350 -0.318 30 20 DBED CCc1ncncc1C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N 1057648875 MFLIHZBJKSABBQ-NSHDSACASA-N 319.365 -0.251 30 20 DBED N#Cc1cncc(N2CC[C@@H](NC(=O)C[C@H]3CCNC3=O)C2)n1 1058465740 YGJQYNYAUIYZQY-GHMZBOCLSA-N 314.349 -0.431 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)Cn1ccc(C)n1 1058864040 AFJXZKFBSFATJJ-UHFFFAOYSA-N 320.393 -0.068 30 20 DBED CN1CCO[C@H](C(=O)N[C@H]2C[C@@H](Nc3cncc(C#N)n3)C2)C1 1059587006 AULMEQBMZSAZGH-LOWVWBTDSA-N 316.365 -0.262 30 20 DBED C=CCO[C@H](C)C(=O)N1CCOC[C@@H]1CNC(=O)COCC 1061244611 BKNAARZPYAFHLM-OLZOCXBDSA-N 314.382 -0.042 30 20 DBED CC(C)C#CC(=O)N1CCOC[C@H]1CNC(=O)Cn1nccn1 1061616248 GIAHNLMKWZEXSO-CYBMUJFWSA-N 319.365 -0.719 30 20 DBED N#CCSCC(=O)N1CCCC[C@@H]1CNC(=O)CC(N)=O 1062017791 AFQJEXIOWYZAFJ-SNVBAGLBSA-N 312.395 -0.384 30 20 DBED N#Cc1cnc(N2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CCC(=O)N2)cn1 1062458908 IFENNTAYIMWONA-SDDRHHMPSA-N 312.333 -0.584 30 20 DBED Cn1cc(C(=O)N2C[C@@H]3C[C@H]2CN3c2cnc(C#N)cn2)nn1 1062486866 ZUARZQQUPUGSGD-QWRGUYRKSA-N 310.321 -0.420 30 20 DBED C=CCOCC(=O)NC1(CNC(=O)C[C@@H]2CCNC2=O)CCC1 1063297859 PYVQJUFRHRFPHT-LBPRGKRZSA-N 323.393 -0.130 30 20 DBED N#Cc1nccc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)Cn2cccn2)n1 1064217357 ROLKTZOTLAEKHG-ZETOZRRWSA-N 309.333 -0.062 30 20 DBED CC[C@@H]1CN(C(=O)C(N)=O)CC[C@@H]1N=c1cc[nH]cc1C#N 1064413435 VHAZIJDNWNYIFV-MFKMUULPSA-N 301.350 -0.101 30 20 DBED CCC(=O)NCC(=O)NC[C@@H]1CN(C(=O)C#CC(C)C)CCO1 1065131058 SXBXORPFMPXSMO-CYBMUJFWSA-N 323.393 -0.484 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)Cn2nccn2)CCO1 1065195356 MVYMRSPUFPULMO-ZDUSSCGKSA-N 319.365 -0.575 30 20 DBED C=CCCCC(=O)N1CCO[C@H](CNC(=O)CNC(N)=O)C1 1065544488 UELGDOKWOQMSRE-LLVKDONJSA-N 312.370 -0.645 30 20 DBED C=CCOCC(=O)N[C@@H]1CCCN(C(=O)Cn2cnnn2)CC1 1065984418 BGNIWMJEFLIDLT-GFCCVEGCSA-N 322.369 -0.627 30 20 DBED N#Cc1nccnc1N1CC[C@@H]2[C@@H]1CCCN2C(=O)CC(N)=O 1066126289 DVDMITDESRWRNO-NWDGAFQWSA-N 314.349 -0.207 30 20 DBED COC(=O)NCC(=O)N1CCC[C@@H](NC(=O)[C@@H](C)C#N)CC1 1066474137 CJJMUKAFXSHNSR-WDEREUQCSA-N 310.354 -0.001 30 20 DBED C[C@@H]1CN(C(=O)Cc2ncc[nH]2)C[C@@H]1N=c1cc[nH]c(C#N)n1 1067140385 TWKVZLCYDIQQHK-MNOVXSKESA-N 311.349 -0.005 30 20 DBED C#CCOCCC(=O)N(C)CCCN(C)C(=O)[C@@H]1CNC(=O)N1 1067426939 CFOYSSFOKDBAFP-LBPRGKRZSA-N 324.381 -0.985 30 20 DBED N#Cc1cnc(N2C[C@H](CNC(=O)c3cn[nH]c3)[C@@H](O)C2)cn1 1067652075 UZSXARRVGCUBJM-JQWIXIFHSA-N 313.321 -0.702 30 20 DBED N#Cc1cc(C(=O)NC[C@@H]2CN(c3ncccn3)C[C@@H]2O)c[nH]1 1067659708 ZJYQDMDIPSRRPK-YPMHNXCESA-N 312.333 -0.097 30 20 DBED C=CCCC1(C(=O)N2CC3(CN(C(=O)C(N)=O)CCO3)C2)CC1 1068447314 BMKCWWSZVFEESV-UHFFFAOYSA-N 321.377 -0.342 30 20 DBED C=C(C)C(C)(C)C(=O)N[C@@H]1COC2(C1)CN(C(=O)C(N)=O)C2 1068948065 NYQQADUIMIIHJX-JTQLQIEISA-N 309.366 -0.440 30 20 DBED C=CCN1CCOC[C@H]1c1n[nH]c(CNC(=O)c2cnon2)n1 1070591818 SDIGSDUMAVKATM-JTQLQIEISA-N 319.325 -0.323 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CCCN(C(=O)c2cn(C)nn2)C1 1070687675 UAJCDBRQFDGYPU-VXGBXAGGSA-N 319.365 -0.426 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)[C@@H]4COCCO4)C[C@@]3(C1)O2 1070767199 SLONBCYHGUAKIK-KNCOVGOOSA-N 306.362 -0.663 30 20 DBED C#CCN1CCN([C@H]2CCCN(C(=O)[C@H](O)C(C)C)C2)C(=O)C1 1071264160 OZOLEONMAFHIJF-GOEBONIOSA-N 321.421 -0.228 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CCCN(C(=O)Cn2cncn2)C1 1071375115 VXGTXSQJDFISII-IUODEOHRSA-N 321.381 -0.288 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)c2ccc(O)nn2)C[C@@H]1C 1071533139 IEBVAPHMDHQYTI-CMPLNLGQSA-N 320.349 -0.039 30 20 DBED C[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@@H]1NC(=O)C#CC1CC1 1072542818 BPLUKDBHKQGGCG-KOLCDFICSA-N 302.338 -0.800 30 20 DBED C#CCOCCC(=O)N1CC(N2CCN(C(=O)C3CC3)CC2)C1 1073522320 ZJYQFQSKMNXKFM-UHFFFAOYSA-N 319.405 -0.209 30 20 DBED CC#CCN1CCCO[C@H](CNC(=O)[C@H]2CCCNC2=O)C1 1073649208 PHHQSKZMJRYAJP-KGLIPLIRSA-N 307.394 -0.257 30 20 DBED C[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)CC[C@@H]1NC(=O)CC(N)=O 1073840205 RGFIXWHUVUTNPN-ONGXEEELSA-N 317.349 -0.271 30 20 DBED C=CCOCC(=O)N1CCC(O)(CNC(=O)c2nc[nH]n2)CC1 1074515415 CLCMEPVAWAFUMW-UHFFFAOYSA-N 323.353 -0.909 30 20 DBED C#CCCCC(=O)N[C@@H]1CCN(C(=O)Cn2cnnn2)[C@H](C)C1 1074960422 KQYVCQNGVXQLDI-CHWSQXEVSA-N 318.381 -0.028 30 20 DBED C#CCCCC(=O)NCC[C@H](C)NC(=O)CN1CC(=O)NC1=O 1076298074 WZJDFONTVLDGOV-NSHDSACASA-N 322.365 -0.647 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H]3CN(C[C@@H](C)O)C[C@H]32)nn1 1076336091 JVMHIMILJSRHPZ-MBNYWOFBSA-N 305.382 -0.009 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN(CC(F)F)C2)C1 1077583617 DRXLWVNQHQMTPA-IJLUTSLNSA-N 316.352 -0.352 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2cc3c(nc2O)CCCC3)C1 1077879952 DCTWQTJYICFKAM-ZIAGYGMSSA-N 316.361 -0.036 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)C2CCN(C(C)=O)CC2)C1 1078150456 ABNVWOXSECUSQL-HUUCEWRRSA-N 309.410 -0.018 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)CN2CCc3sccc3C2)C1 1078222598 IZNWISNIOPYAQR-ZIAGYGMSSA-N 319.430 -0.099 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](O)[C@H](CNC(=O)C=C(C)C)C1 1081224915 BVRKECYSVUWVKU-CHWSQXEVSA-N 321.377 -0.972 30 20 DBED N#CCSCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2cc[nH]n2)C1 1081286333 KDDAVTDYNNCLIU-MWLCHTKSSA-N 323.378 -0.784 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@H](CNC(=O)Cn2ccnc2)C1 1081576648 DAUYZQWNLMJJQC-CHWSQXEVSA-N 322.365 -0.979 30 20 DBED CC(C)C#CC(=O)N1C[C@H](CNC(=O)c2csnn2)[C@@H](O)C1 1081624033 SKJBCYHYUZBZHL-JQWIXIFHSA-N 322.390 -0.253 30 20 DBED C=CCCC(=O)N1C[C@H](CNC(=O)c2ccncn2)[C@@H](O)C1 1081684676 JCGLEWBKQVNQAP-AAEUAGOBSA-N 304.350 -0.008 30 20 DBED C=CCN1C[C@@H](NC(=O)C[C@@H]2CCCS2(=O)=O)[C@H](OC)C1 1081985192 HSUHSYIEUGECEJ-YNEHKIRRSA-N 316.423 -0.045 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)C[C@@H]1CCCC(=O)N1 1083137774 PZZZLFGSIVBNCV-RWMBFGLXSA-N 306.366 -0.520 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2cccc(NC(N)=O)c2)C1 1084043302 LXHVCNSJSIRRIR-NEPJUHHUSA-N 303.322 -0.524 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)CC[C@H]3NC(=O)NC3=O)[C@@H]2C1 1084819959 ZFSWWHONYBMFIB-IJLUTSLNSA-N 304.350 -0.860 30 20 DBED C=CCN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCS(=O)(=O)N1 1085426769 WSNBJPGDFABJSB-UTUOFQBUSA-N 301.412 -0.119 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2ccc(NC(C)=O)cn2)[C@H](O)C1 1090312087 DGTXENPFFAGROG-UKRRQHHQSA-N 316.361 -0.162 30 20 DBED N#CCN1CC[C@H](NC(=O)Cc2ccccc2C(N)=O)[C@H](O)C1 1090483383 ROOYIJVHGCLITP-UONOGXRCSA-N 316.361 -0.597 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)c2cncc(C(N)=O)c2)[C@@H](O)C1 1090820301 PTADKSGWGSBVOU-KGLIPLIRSA-N 318.377 -0.078 30 20 DBED N#Cc1cc(C(=O)NCC2CC(N[C@@H]3CCNC3=O)C2)c[nH]1 1090991353 YZVDYEVYVHHTRR-QEIKUCIBSA-N 301.350 -0.127 30 20 DBED CCOCC(=O)N1CCO[C@@H]2CN(c3nccnc3C#N)C[C@@H]21 1091035070 PBFZSVRRKWNGED-QWHCGFSZSA-N 317.349 -0.199 30 20 DBED COCCCC(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1091089680 KZDLVJQOCVWTDW-NEPJUHHUSA-N 305.338 -0.559 30 20 DBED N#Cc1nc(=NC2CC(CNC(=O)Cc3nc[nH]n3)C2)cc[nH]1 1092236292 PROSUSZRLFONNJ-UHFFFAOYSA-N 312.337 -0.562 30 20 DBED C#CCNC1CCC2(CC1)CN(C(=O)[C@H]1C[C@H]1C(N)=O)CCO2 1093406522 DDAQSZBCQSMXIR-DLOXAQCQSA-N 319.405 -0.129 30 20 DBED CN1CCO[C@H](C(=O)NCCNc2ncc(C#N)cc2F)C1 1093543039 YSPDLISYTHZASS-LBPRGKRZSA-N 307.329 -0.049 30 20 DBED CN1CCN(CC(=O)NCCNc2ccc(C#N)nc2)CC1=O 1093961955 DZZROXFMWJTWGW-UHFFFAOYSA-N 316.365 -0.745 30 20 DBED Cn1ncc(C(=O)NCCCN=c2cc[nH]c(C#N)n2)c1N 1094375016 NEEXLCUERJJWPJ-UHFFFAOYSA-N 300.326 -0.682 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)c3ccnn3C)CC2=O)C1 1094713958 MNPYKEIJJTYWOB-NSHDSACASA-N 301.350 -0.932 30 20 DBED Cc1c[nH]cc1C(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1 1094815608 YKNKJNNNSYQLQL-LLVKDONJSA-N 301.350 -0.138 30 20 DBED C#CCN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1ncn(C)c1=O)C2 1094950863 TVHFOOPLXYDYAT-AVGNSLFASA-N 303.366 -0.816 30 20 DBED CC(=O)N[C@@H](C)C(=O)NCCCN(C)c1ccc(C#N)nn1 1095487533 XEHZOURXQUJIAK-JTQLQIEISA-N 304.354 -0.185 30 20 DBED Cc1cc(C#N)nc(N(C)CCCNC(=O)CCNC(N)=O)n1 1095556710 HNIRNQPATCZBEV-UHFFFAOYSA-N 319.369 -0.342 30 20 DBED CCS(=O)(=O)CC(=O)N[C@H]1CCN(c2ccc(C#N)nn2)C1 1096390328 XJJHLTNKLNYKML-NSHDSACASA-N 323.378 -0.522 30 20 DBED N#Cc1cnc(N2CC[C@@H](NC(=O)CCc3cnn[nH]3)C2)cn1 1096488103 DXLIIBOSOPWFEH-LLVKDONJSA-N 312.337 -0.206 30 20 DBED CNC(=O)NCCC(=O)N[C@H]1C[C@H](Nc2nccnc2C#N)C1 1097018539 QEZOMROJNSYKFT-MGCOHNPYSA-N 317.353 -0.274 30 20 DBED C[C@@H](CNC(=O)CCN1CCOCC1)Nc1ccc(C#N)nn1 1097945305 JKBMPRFTOPEYFO-LBPRGKRZSA-N 318.381 -0.013 30 20 DBED C[C@H](CNC(=O)[C@]1(C)CNC(=O)C1)N=c1cc[nH]cc1C#N 1098153198 MLFGOYIQJGXWGI-BMIGLBTASA-N 301.350 -0.182 30 20 DBED C[C@@H](CCNC(=O)[C@@H]1COC(=O)N1)Nc1nccnc1C#N 1099076627 DGEUHXIFAWEVJC-WPRPVWTQSA-N 304.310 -0.237 30 20 DBED C#CCCN1C[C@@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CNC(N)=O)C1 1099400440 DELJIMPPVKPDDK-FQUUOJAGSA-N 304.394 -0.153 30 20 DBED C[C@@H](CCNC(=O)[C@@H]1CCC(=O)N1C)N=c1cc[nH]c(C#N)n1 1099644175 QEPNNMRUOSTENZ-QWRGUYRKSA-N 316.365 -0.302 30 20 DBED C=CCCN1CC[C@H](NC(=O)CN(C)C(=O)COC)[C@H](O)C1 1099863114 IPDXNJWXQXVXQX-QWHCGFSZSA-N 313.398 -0.781 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)c2ccsn2)[C@H](O)C1 1099887273 BTZJNGNQQUBHOQ-ZYHUDNBSSA-N 324.406 -0.390 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)C(C)(C)CC)[C@H](O)C1 1099980117 BZVVOWGOZMIQSX-CHWSQXEVSA-N 309.410 -0.277 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2ncccn2)[C@H](O)C1 1100041175 FXWUTFAFKVTTBW-QWHCGFSZSA-N 304.350 -0.709 30 20 DBED CN(CCNC(=O)[C@H]1CCS(=O)(=O)N1)c1ccc(C#N)cn1 1100120722 NCBMXPOLXPUFSE-LLVKDONJSA-N 323.378 -0.803 30 20 DBED C=CCN1CC[C@H](NC(=O)CCS(=O)(=O)N(C)C)[C@H](O)C1 1100122673 VFYRBDKDEBKGIR-NWDGAFQWSA-N 319.427 -0.995 30 20 DBED CN(CCNC(=O)C[C@@H]1CCCC(=O)N1)c1cncc(C#N)n1 1100411921 AFHHMPVXYJFFNM-NSHDSACASA-N 316.365 -0.041 30 20 DBED C=CCCNC1CC(CNC(=O)[C@@H](C)NS(C)(=O)=O)C1 1100706781 XVHDVRHMYNFZHX-VOMCLLRMSA-N 303.428 -0.015 30 20 DBED N#Cc1cnc(N(CCNC(=O)Cn2cncn2)C2CC2)cn1 1101345292 DGFKNUPJRWWQEL-UHFFFAOYSA-N 312.337 -0.275 30 20 DBED Cn1ncc(C(=O)NCCN(c2ccc(C#N)nn2)C2CC2)n1 1101362615 VGLMELJSTGHJMF-UHFFFAOYSA-N 312.337 -0.124 30 20 DBED C=CCO[C@H](C)C(=O)N(C)CCNc1ccc2nnnn2n1 1101668282 MWWJWBMIFPFDIT-SNVBAGLBSA-N 305.342 -0.019 30 20 DBED C=CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)[C@H]2CCC(=O)N2)C1 1101810513 LALWKIMFFNJLMX-JHJVBQTASA-N 322.409 -0.749 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)C[C@@H]2CCOC2)C1 1101845990 BXKLSQREKJDHMM-QLFBSQMISA-N 321.421 -0.154 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)c1cn(C)c(=O)cn1 1102048245 PEVFKTMGJXLFHP-UHFFFAOYSA-N 313.321 -0.952 30 20 DBED CC[C@@H](CNC(=O)[C@H]1COCCN1C)N=c1cc[nH]c(C#N)n1 1103035886 ASXRGXPCZDDJMD-NWDGAFQWSA-N 318.381 -0.593 30 20 DBED C[C@@H]1CN(C(=O)[C@@H]2CCOC2)C[C@H]1CCNCC(=O)NCC#N 1103965441 RUDVCPLLKODUSK-MGPQQGTHSA-N 322.409 -0.263 30 20 DBED C[C@H](CNC(=O)[C@H]1CC(=O)N(C)C1)CNc1ccc(C#N)nn1 1104254918 QZVQPBIPOACLQW-QWRGUYRKSA-N 316.365 -0.009 30 20 DBED CO[C@@H](C)C(=O)NC[C@@H]1CN(c2ccnc(C#N)n2)CCO1 1104293247 QIPLWHNZWKEPBM-WDEREUQCSA-N 305.338 -0.295 30 20 DBED C=CCNCc1cn(C2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)nn1 1105328674 QASUONSSMJZPFD-NEPJUHHUSA-N 304.354 -0.942 30 20 DBED CN(CCN(C)c1cnc(C#N)cn1)C(=O)CS(C)(=O)=O 1105342233 UVDKMUYYRFCRTF-UHFFFAOYSA-N 311.367 -0.713 30 20 DBED Cc1cc(CC(=O)NC[C@H](O)CNc2cncc(C#N)n2)no1 1105766305 VEWALWMCSIZMLM-GFCCVEGCSA-N 316.321 -0.224 30 20 DBED CC(=O)N(C)CC(=O)NC[C@H](O)CN=c1cc(C)[nH]cc1C#N 1105777527 AUSZAPDVJNWLQC-CYBMUJFWSA-N 319.365 -0.949 30 20 DBED CCN(CC)CC(=O)NC[C@@H](O)CNc1ccc(C#N)nn1 1105869078 LSLCWKCJYHBGSD-LBPRGKRZSA-N 306.370 -0.421 30 20 DBED Cc1cnn(C)c1C(=O)NC[C@@H](O)CNc1ccc(C#N)nn1 1106059813 JURQRDKBGFWEOT-NSHDSACASA-N 315.337 -0.407 30 20 DBED C[C@@H]1CN(C(=O)CC2(O)CCC2)C[C@H]1CNCC(=O)NCC#N 1106095611 FDMRBIUIQUNJGO-CHWSQXEVSA-N 322.409 -0.385 30 20 DBED C=CCn1cc(C(=O)NC[C@H](O)CNc2ccnc(C)n2)nn1 1106131557 DPUHBUUKYUVPJS-LLVKDONJSA-N 317.353 -0.235 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)C1(C(N)=O)CC1 1106943072 PKANIROPMDFVHU-UHFFFAOYSA-N 302.338 -0.704 30 20 DBED N#Cc1ccc(NC/C=C/CNC(=O)[C@@H]2CC[C@H]2C(N)=O)nn1 1107450713 GEUDJHGGAVZKJU-NUYITTKVSA-N 314.349 -0.056 30 20 DBED Cc1c(C(=O)N[C@H](C)CN=c2cc[nH]c(C#N)n2)nnn1C 1107661676 SKEOBNBQUOQUQM-MRVPVSSYSA-N 300.326 -0.563 30 20 DBED C[C@H](CNc1ccc(C#N)nn1)NC(=O)Cn1cnnc1O 1107726935 YOUKYHQCRAGXGW-MRVPVSSYSA-N 302.298 -0.738 30 20 DBED C#CCCN1CCO[C@@](C)(CNC(=O)C[C@@H]2CCNC2=O)C1 1107995326 YZKXPAFCOXTXGX-BBRMVZONSA-N 307.394 -0.257 30 20 DBED C#CCCN1CCO[C@@](C)(CNC(=O)[C@@H]2COCCN2CC)C1 1108041077 ZYACHZHMOICDCP-RDJZCZTQSA-N 323.437 -0.063 30 20 DBED C=C(C)CN1CCO[C@@](C)(CNC(=O)CN2CCNC(=O)C2)C1 1108117320 JVJHZUPIJWSNLD-INIZCTEOSA-N 324.425 -0.799 30 20 DBED C[C@H](CNc1cnc(C#N)cn1)NC(=O)[C@H]1CCC(=O)NC1 1108204104 QALSPFUQTRBSBM-ZJUUUORDSA-N 302.338 -0.209 30 20 DBED C=C(C)CN1CCO[C@](C)(CNC(=O)CN2C(=O)CCC2=O)C1 1108387947 VBRIPKKOIMWGFX-MRXNPFEDSA-N 323.393 -0.081 30 20 DBED C[C@H](CN(C)c1ccnc(C#N)n1)NC(=O)CCn1cnnn1 1109054166 SRGCAFKJFDDMCG-SNVBAGLBSA-N 315.341 -0.634 30 20 DBED C[C@@H](CN(C)c1ccnc(C#N)n1)NC(=O)C(C)(C)C(N)=O 1109125679 WARRAFITRDQKEY-VIFPVBQESA-N 304.354 -0.199 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cn1cnnc1O 1109168409 WXJVLMVZVWEBPB-AGIUHOORSA-N 319.365 -0.645 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H](NC(=O)[C@@H]1CCC(=O)N1)C1CC1 1109880710 QZJHINCYQWLALR-KBPBESRZSA-N 313.361 -0.040 30 20 DBED CN1CCOC[C@H]1C(=O)NCC1(Nc2nccnc2C#N)CC1 1110110180 DJMJUJDFPCKVRJ-LBPRGKRZSA-N 316.365 -0.260 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCS(=O)(=O)N(C)C 1110138177 IDHAWSOCWRYZCJ-AGIUHOORSA-N 313.423 -0.377 30 20 DBED C[C@H](NC(N)=O)C(=O)N1CCC[C@H]1CNc1nccnc1C#N 1110539845 NQLMJWMKQTYNMC-UWVGGRQHSA-N 317.353 -0.192 30 20 DBED C#CCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2[C@H](C)C(=O)NC 1110551156 RGVIHSNRFLIHET-SYQHCUMBSA-N 307.394 -0.118 30 20 DBED N#Cc1cccnc1N1CC[C@](O)(CNC(=O)c2nc[nH]n2)C1 1111089229 NDZBSFFWKWOCMP-AWEZNQCLSA-N 313.321 -0.557 30 20 DBED C[C@H](Nc1cnc(C#N)cn1)[C@@H]1CCN(C(=O)CNC(N)=O)C1 1111205929 RJRSUJBVOYUNOM-VHSXEESVSA-N 317.353 -0.335 30 20 DBED C=C[C@](C)(O)CC(=O)N(CCO)CCNc1cnc(C#N)cn1 1111467181 ZNQBVACAXQBKSK-HNNXBMFYSA-N 319.365 -0.092 30 20 DBED CN(CCCN(C)c1cncc(C#N)n1)C(=O)CCNC(N)=O 1112089828 ANRBJTFOKFDBNS-UHFFFAOYSA-N 319.369 -0.309 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)COCC(F)F)CC1 1113144498 ORKBFIXCGLNJJW-UHFFFAOYSA-N 304.297 -0.948 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)c2cnc(O)n2C)CC1 1113190228 DJGPNUDDKRFALK-NSHDSACASA-N 319.365 -0.979 30 20 DBED C[C@H](CNC(=O)[C@H]1CCCNC1=O)N(C)c1nccnc1C#N 1113744199 LORVTTHINZOIDF-MNOVXSKESA-N 316.365 -0.185 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3snnc3C)[C@H]2C1 1113839572 PSAKUKBHTAGJFO-IAZYJMLFSA-N 321.406 -0.191 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3cccn3C)[C@H]2C1 1113860947 RTZXYPKVLJVNSI-JYAVWHMHSA-N 302.378 -0.013 30 20 DBED CCn1nccc1C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1114174635 XIIIENKRQZHBBQ-YABSGUDNSA-N 316.365 -0.797 30 20 DBED C=C[C@](C)(O)CC(=O)NC1[C@H]2CN(CC(=O)N3CCCC3)C[C@H]12 1114189383 NXZXDXTXIGPESD-DCGLDWPTSA-N 321.421 -0.018 30 20 DBED CC(=O)NCC(=O)N[C@H]1C[C@H](CNc2cncc(C#N)n2)C1 1114733354 AFYUPYFOVUNPRG-XYPYZODXSA-N 302.338 -0.209 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)C(C)(C)NC(C)=O)[C@@H]2C1 1114981742 AODAFCIAIRTYGE-CHWSQXEVSA-N 307.394 -0.403 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)C34CCN(CC3)C4)[C@H]2C1 1115121005 KAJLAPQHGACMNO-NHAGDIPZSA-N 318.421 -0.569 30 20 DBED C#CCNC1(CNC(=O)CN(C)S(C)(=O)=O)CCCCC1 1115561209 ORXWRUHJYWAMBQ-UHFFFAOYSA-N 315.439 -0.080 30 20 DBED CS(=O)(=O)NCc1ccc(C(=O)OCC(=O)NCC#N)o1 1116239050 DXMOMGKBCWGMIE-UHFFFAOYSA-N 315.307 -0.875 30 20 DBED C#CCCCCNC(=O)C(=O)N1CCC([C@H](O)C(=O)OC)CC1 1117374367 DFETZUSZGIGRQR-ZDUSSCGKSA-N 324.377 -0.321 30 20 DBED C=CCOCCNC(=O)C(=O)NCC1(C(=O)NCC)CCC1 1118623935 KXOCAAZYXGWQCA-UHFFFAOYSA-N 311.382 -0.272 30 20 DBED C[C@@H](CO)CCCNC(=O)C(=O)N1CCN(CCC#N)CC1 1119227347 ILDPTGDQMXDMSD-CYBMUJFWSA-N 310.398 -0.431 30 20 DBED C#CCOCCn1nnnc1N1CCN(c2cnn(C)c2)CC1 1120252634 QWMCJYBULXEJCQ-UHFFFAOYSA-N 316.369 -0.617 30 20 DBED N#Cc1cncc(N[C@@H](CO)CNC(=O)c2cnns2)n1 1121092827 SXHCTEKJXRAUIV-MRVPVSSYSA-N 305.323 -0.597 30 20 DBED Cc1cc(C(=O)NC[C@H](CO)Nc2cnc(C#N)cn2)n[nH]1 1121120654 RZGVHXCRALBQJN-SNVBAGLBSA-N 301.310 -0.417 30 20 DBED Cc1cnc(C(=O)NC[C@H](CO)Nc2cnc(C#N)cn2)cn1 1121150273 IXCSADQIRKQRJW-LLVKDONJSA-N 313.321 -0.351 30 20 DBED C#CCCCCC(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1 1121352854 GZVBPZLDTBVQTE-GFCCVEGCSA-N 301.350 -0.147 30 20 DBED CC#CCCCC(=O)NC[C@H](CO)Nc1ccc2nnnn2n1 1122371603 DLDBCJWTPXZHES-LLVKDONJSA-N 317.353 -0.398 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)c1snnc1C 1123373619 CTIUUNYZDHAPEK-UHFFFAOYSA-N 324.410 -0.072 30 20 DBED C[C@H]1[C@H](NC(=O)CNC(N)=O)CCCN1c1cnc(C#N)cn1 1123514942 TXTUGJUAEROONL-GXSJLCMTSA-N 317.353 -0.510 30 20 DBED CN(C)CCCC(=O)N(C)C[C@@H](O)CNc1nccnc1C#N 1124683691 MYRQIJFEFSNZOU-LBPRGKRZSA-N 320.397 -0.079 30 20 DBED C[C@H](CC(N)=O)C(=O)N(C)C[C@H](O)CNc1ccc(C#N)nc1 1124689786 ZAMVGKZEGUIJIA-ZWNOBZJWSA-N 319.365 -0.304 30 20 DBED C=C(C)CN(CC)C(=O)CNCCNC(=O)c1cc(=O)n(C)o1 1126291919 GTHXKXYZNXYREO-UHFFFAOYSA-N 324.381 -0.278 30 20 DBED C#CCOCCC(=O)NCCNCc1ncnn1CC(F)F 1127027765 YIDNEUGFGFTBQT-UHFFFAOYSA-N 315.324 -0.211 30 20 DBED C=CCOc1ccccc1C(=O)NCCNCC(=O)NC(N)=O 1130374595 YAQZADFOMWITHI-UHFFFAOYSA-N 320.349 -0.234 30 20 DBED C=CCCOCC(=O)N1C[C@@H]2C[C@@H]3CN(CC(N)=O)C[C@]2(C1)O3 1131291961 YHPXGAHYMZSRGD-WOSRLPQWSA-N 323.393 -0.634 30 20 DBED COCC#CCN1CCNC(=O)CCN(C(=O)[C@H]2C[C@@H]2C)CC1 1131323173 SICMAPSJHNISJT-GJZGRUSLSA-N 321.421 -0.057 30 20 DBED COc1ccc(C(=O)NCCNCC(=O)NCC#N)c(C)c1 1133193508 SPQAPNZPCCFNSV-UHFFFAOYSA-N 304.350 -0.037 30 20 DBED C[C@@H](CC(=O)NCCNCC(=O)NCC#N)c1cccnc1 1134730950 NFMCTIUVVOXSQG-LBPRGKRZSA-N 303.366 -0.079 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)C[C@H]1CCC(=O)N1 1135223589 TVTAQDHQEQCWDS-GFCCVEGCSA-N 323.397 -0.877 30 20 DBED C#CCN[C@@H](C)C[C@@H](C)NC(=O)Cn1nc2n(c1=O)CCCC2 1135879166 DYEWIYZDRDDIEX-QWHCGFSZSA-N 319.409 -0.113 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@@]1(C)CCN(C(C)=O)C1 1146994017 HYGIWWVIHNJGEQ-WBMJQRKESA-N 324.425 -0.359 30 20 DBED C=CCNC(=O)CN1CCCO[C@H](CNC(=O)c2cnon2)C1 1150462616 ZVAUYGGRJGVHQP-LLVKDONJSA-N 323.353 -0.808 30 20 DBED C=CCCN(CC)[C@H](C)CNC(=O)CN1C(=O)C(=O)N(C)C1=O 1155607567 QRMPXNZZOAXNCX-LLVKDONJSA-N 324.381 -0.190 30 20 DBED C#CCNCC1(CCNC(=O)Cn2ccc(O)nc2=O)CC1 1166019174 KHNARCVMFCDXFY-UHFFFAOYSA-N 304.350 -0.542 30 20 DBED C=CCNC(=O)CNCCCNC(=O)c1cc(COC)on1 1167763511 KOWZKWPITZQSLJ-UHFFFAOYSA-N 310.354 -0.167 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)C(C)(C)NC(C)=O)C1=O 1168481811 ZCRBOHQALFWZST-CYBMUJFWSA-N 324.425 -0.216 30 20 DBED C[C@@H](CCCCNCC(=O)NCC#N)NC(=O)c1cn(C)nn1 1170608890 SFLJADGJJLPNJL-NSHDSACASA-N 321.385 -0.667 30 20 DBED C[C@H](CCCCNCC(=O)NCC#N)NC(=O)c1nc[nH]n1 1175786744 OVLPRJSZLXCBBD-SNVBAGLBSA-N 307.358 -0.677 30 20 DBED CC#CCN1CCO[C@H]2CCN(C(=O)COCCN(C)C)C[C@@H]21 1177138175 JQWFNJBRLPRFIO-HOTGVXAUSA-N 323.437 -0.110 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)[C@H](C)NC(C)=O)[C@H]1C 1178070212 VHCKWIJLGLJEJI-GVXVVHGQSA-N 310.398 -0.608 30 20 DBED C[C@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)[C@@H]1CCN(C)[C@@H]1C 1178731378 UBKBSQGHSSCOLN-RQJABVFESA-N 321.425 -0.455 30 20 DBED C#CCCN[C@H]1CCN(C(=O)CNS(=O)(=O)CC)[C@H]1C 1178826090 OIKRRGVGVMYOLK-RYUDHWBXSA-N 301.412 -0.472 30 20 DBED C=CCNC(=O)CNCCCCCCNC(=O)c1nnn(C)n1 1179298094 KUFVSSMMKBGFHN-UHFFFAOYSA-N 323.401 -0.608 30 20 DBED C#CCN[C@H]1CCN(C(=O)CCNC(=O)[C@H]2CCCO2)[C@H]1C 1180295342 LVDRRQVKWVMTQX-MELADBBJSA-N 307.394 -0.116 30 20 DBED CN(CC(=O)N1CC[C@@H](NCC(=O)NCC#N)C1)C1CCC1 1183289489 ZURUJBYGCZKOSH-GFCCVEGCSA-N 307.398 -0.699 30 20 DBED CN1CCCC[C@H]1C(=O)N1CC[C@@H](NCC(=O)NCC#N)C1 1183648032 MSVHUDUHDMDDSZ-OLZOCXBDSA-N 307.398 -0.699 30 20 DBED CC#CCN[C@@H]1CCN(C(=O)CN2C(=O)NC(=O)C2(C)C)C1 1186790101 HGCMDXQRCJQCSD-LLVKDONJSA-N 306.366 -0.469 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)[C@H](NC(N)=O)C(C)(C)C)C1 1187098757 LUPGYISKUFHLEX-OLZOCXBDSA-N 324.425 -0.090 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(CC(=O)NCCCC)C[C@H]1O 1191770958 IPZQKRWYWFZCKH-CHWSQXEVSA-N 313.398 -0.733 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 1192061877 WROHKVMIRPYDHL-LLVKDONJSA-N 308.382 -0.913 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 1192189799 HRRPHHJHQJCSOT-GOEBONIOSA-N 322.453 -0.145 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H](NC(C)=O)C2CCCC2)C1 1194546327 WPVBBWLWRQVJRA-KFWWJZLASA-N 307.394 -0.524 30 20 DBED C#CCCCC(=O)N1CCCN(CCN2C(=O)CNC2=O)CC1 1195681964 MNMKCJZEUKCGMB-UHFFFAOYSA-N 320.393 -0.124 30 20 DBED CC#CCNC[C@H]1CN(C(=O)C[C@@H]2CCC(=O)N2)CCCO1 1201621942 RGKDZTCZJJOSPN-KBPBESRZSA-N 307.394 -0.115 30 20 DBED C=C(C)CNC[C@@H]1CN(C(=O)C2CC(=O)NC(=O)C2)CCCO1 1201622671 XGTIJHSMTXFGRX-CYBMUJFWSA-N 323.393 -0.178 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)Cn2cncn2)CCCO1 1202006429 QHMFWVJBCZFYLC-CQSZACIVSA-N 321.381 -0.865 30 20 DBED C#CCNC[C@H]1CN(C(=O)[C@@H]2CCCS2(=O)=O)CCCO1 1202107469 AQYZSERBUVLNQY-STQMWFEESA-N 314.407 -0.596 30 20 DBED C=CCOCC(=O)N[C@@H]1C[C@H](NCC(=O)NC(N)=O)C12CCC2 1202634540 SARRQBZOZVKFPZ-WDEREUQCSA-N 324.381 -0.599 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC(CNCC(=O)N(C)C)CC1 1205264185 BLEUEXDDZNKAOJ-ZDUSSCGKSA-N 309.410 -0.059 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)Cc1ccon1 1206720306 DGNXHYWSNIFGAE-ZYHUDNBSSA-N 305.338 -0.707 30 20 DBED C=CCCCN[C@H]1CCCN(C(=O)C[C@H](NC(C)=O)C(N)=O)C1 1209964628 YAEUTYHSHQABPS-KBPBESRZSA-N 324.425 -0.087 30 20 DBED C#CCCN[C@H]1CCCN(C(=O)[C@H]2CN(C(C)=O)CCO2)C1 1210891989 CSWNIYBNAQZPSE-LSDHHAIUSA-N 307.394 -0.162 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@H](OC)C(C)C)C[C@H]1C 1215465532 PQRRZJWRXGZMCG-UMVBOHGHSA-N 309.410 -0.157 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)c2cocn2)C1 1219357692 HIJZYNULUNNDSI-FOGDFJRCSA-N 308.338 -0.860 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(CCn2nc(C)nc2C)C[C@@H]1O 1219532385 XDTJXZXYMYEDLN-CABCVRRESA-N 319.409 -0.140 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)COCc2nccn2C)C1 1219856795 CEBZSPBQZXPLPR-OLZOCXBDSA-N 308.382 -0.326 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@@H]2CN(C(=O)c3cocn3)[C@@H]2C1 1221432825 HBPFWBCYZLBQRJ-OUCADQQQSA-N 316.361 -0.041 30 20 DBED C=CCNC(=O)CN1CCC(CNC(=O)[C@H]2C[C@H]2C(N)=O)CC1 1224545682 CBIKDYGEXZASCZ-OLZOCXBDSA-N 322.409 -0.762 30 20 DBED C=CCN1CCS(=O)(=O)[C@H](CCNC(=O)c2cn[nH]c2)C1 1230425379 JPOPWAYWBRCDKF-GFCCVEGCSA-N 312.395 -0.185 30 20 DBED CN(C[C@@H]1CCN1CC(=O)NCC#N)C(=O)C[C@](C)(O)C1CC1 1233794524 XQPSIZNDOADNOR-BBRMVZONSA-N 322.409 -0.290 30 20 DBED CN(C[C@H]1CCN1CC(=O)NC(N)=O)C(=O)C#CC(C)(C)C 1234194117 ATFFHXYSHXPVIL-LLVKDONJSA-N 308.382 -0.237 30 20 DBED CCS(=O)(=O)N1CCC(C(=O)OCC(=O)NCC#N)CC1 1318340258 MTYPHYVCQITAOE-UHFFFAOYSA-N 317.367 -0.769 30 20 DBED CN(C)[C@H](CNC(=O)C(=O)N1CCO[C@H](C#N)C1)c1ccco1 1322874265 ZIWUJZOZNXHTKS-VXGBXAGGSA-N 320.349 -0.251 30 20 DBED C#CCSCCNC(=O)C(=O)N1CC[C@@](C)(C(=O)NC)C1 1323794281 JFHKGWMYBXMLKE-CQSZACIVSA-N 311.407 -0.546 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)NCC(C)(C)S(C)(=O)=O 1324202684 JCRJGLPBDQIYHB-VIFPVBQESA-N 306.384 -0.757 30 20 DBED C#C[C@H](NC(=O)C(=O)NCCOCC(F)(F)F)[C@@H]1CCCO1 1327417330 GITZKXYQRKRYBI-UWVGGRQHSA-N 322.283 -0.022 30 20 DBED C=C[C@@H](COC)NC(=O)c1nc(N)nc(N2CCOCC2)n1 1328874194 NYQWMSQHJKVPFQ-VIFPVBQESA-N 308.342 -0.779 30 20 DBED N#CCOc1cccc(NC(=O)C(=O)NC[C@@H]2COCCN2)c1 1335200472 RKPWRXKVGVYQBN-GFCCVEGCSA-N 318.333 -0.368 30 20 DBED C#CCNC(=O)C1CCN(C(=O)C(=O)NCCCOCC)CC1 1344810868 WYHWUYSLMYCXEU-UHFFFAOYSA-N 323.393 -0.483 30 20 DBED C=C[C@@H](C(=O)OC)n1cc(CNC(=O)C2CCNCC2)nn1 1349751406 SURGWINQJPAENO-LBPRGKRZSA-N 307.354 -0.206 30 20 DBED CNC(=O)[C@@H]1CN(C(=O)c2cccc(C#CCO)c2)CCO1 1350716908 PHHXMXMPJJCMOT-AWEZNQCLSA-N 302.330 -0.383 30 20 DBED C=CCN1CCC(NC(=O)C(=O)N[C@H]2C[C@H](C(=O)OC)C2)CC1 1350967106 MCNPHKXSMQYSAK-AULYBMBSSA-N 323.393 -0.179 30 20 DBED N#Cc1ccc(F)c(C(=O)N2C[C@@H](C(N)=O)[C@@H](C(N)=O)C2)c1 1362707049 NTRZJNKVOIWELR-AOOOYVTPSA-N 304.281 -0.644 30 20 DBED C[C@@H](CNC(=O)c1cccc(C(N)=O)n1)N(C)C(=O)[C@H](C)C#N 1380783408 WZFCMZRDWBNZQN-ZJUUUORDSA-N 317.349 -0.083 30 20 DBED CC(C)c1cc(C(=O)NC[C@@H](O)CNC(=O)[C@@H](C)C#N)n[nH]1 1392157471 HNFNIYQDEHHOMN-UWVGGRQHSA-N 307.354 -0.100 30 20 DBED N#Cc1cc(C(=O)NC[C@H](O)CNC(=O)COCC2CC2)c[nH]1 1399810527 YRBWFRQRVSJSIT-CYBMUJFWSA-N 320.349 -0.480 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)CCc2cnn(C)c2)C1 1406386184 WKWOBPMRWITYQU-RTXFEEFZSA-N 319.365 -0.800 30 20 DBED C[C@H](C#N)C(=O)N(C)C[C@@H]1CCCN(C(=O)CCNC(N)=O)C1 1414904450 CLLWNFYUUQLABU-NEPJUHHUSA-N 323.397 -0.099 30 20 DBED COCCn1cc(C(=O)N[C@@H](C)CNC(=O)[C@@H](C)C#N)nn1 1415260389 WMWVFZXSBADXHM-UWVGGRQHSA-N 308.342 -0.681 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@](C)(CNC(=O)Cn2ncnn2)C1 1432744582 GRBGPWYQQPPOAO-BXUZGUMPSA-N 319.369 -0.422 30 20 DBED C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)N2CC(C#N)C2)cc1 1468496446 OBVUFJRNMGUGAH-SNVBAGLBSA-N 323.374 -0.059 30 20 DBED C#CCNC(=O)CNC(=O)[C@]1(N(C)C)COc2ccccc2C1 1548635525 DVZYDPRZBJCJJJ-QGZVFWFLSA-N 315.373 -0.213 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2cc(=O)c(OC)c[nH]2)C1 1567893885 VTAQEFNMHLQAHD-GFCCVEGCSA-N 319.361 -0.163 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)Nc2cccn(CC(=O)O)c2=O)C1 1574242604 XBEVVGOXVLURPJ-CQSZACIVSA-N 320.305 -0.185 30 20 DBED CC(C)C#CC(=O)NCCN[C@H](C)C(=O)NCc1cnn[nH]1 1575318135 HKESWVQKBNYKMO-LLVKDONJSA-N 306.370 -0.825 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCC[C@H]1CC(=O)O)[C@@H]1CCCO1 1588371081 VLWXKVUIUQRODQ-SRVKXCTJSA-N 308.334 -0.251 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCNc1cnc(-c2nn[nH]n2)cn1 1588505137 NJMHEJRTAHRVKQ-CYBMUJFWSA-N 318.341 -0.488 30 20 DBED C#Cc1ccc(C(=O)NCCN=c2cc[nH]c(C(=O)O)n2)cn1 1588511520 XVHRUPBVBMQLSA-UHFFFAOYSA-N 311.301 -0.185 30 20 DBED N#CCNC(=O)COC(=O)c1ccc(F)c(-c2nn[nH]n2)c1 1592677617 HGGFDLXGAUKHGI-UHFFFAOYSA-N 304.241 -0.198 30 20 DBED N#C[C@H]1CN(S(=O)(=O)NC[C@H](CC2CC2)C(=O)O)CCO1 1601063753 YNVIQVHAUNSXEM-QWRGUYRKSA-N 317.367 -0.454 30 20 DBED C#C[C@@H](NC(=O)C(=O)Nc1ccn(CC(=O)O)n1)[C@H]1CCCO1 1602672571 OFJKAUPLCAZEEW-NXEZZACHSA-N 320.305 -0.797 30 20 DBED C#CCN1CCN(S(=O)(=O)CC2(C(=O)O)CCC2)CC1 1602720233 NDYRCALXEVIVNH-UHFFFAOYSA-N 300.380 -0.178 30 20 DBED C=CCNC(=O)CNC(=O)c1cc(C)c(-c2nn[nH]n2)cn1 1602862346 BRBABOGLYYDLMT-UHFFFAOYSA-N 301.310 -0.398 30 20 DBED N#Cc1ncccc1S(=O)(=O)N1CCCNC[C@H]1C(=O)O 1610633886 CZEFOJFVVCWHHZ-JTQLQIEISA-N 310.335 -0.610 30 20 DBED N#Cc1ccccc1NC(=O)CCN1CCN(CC(N)=O)CC1 1647113279 IPRXCADGTDQQCM-UHFFFAOYSA-N 315.377 -0.010 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)[C@@H](C)Cc2cnc[nH]2)C1 1690106714 KHTZPAWBDISQKW-QWHCGFSZSA-N 317.393 -0.472 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)C[C@@H]2CCCC(=O)N2)C1 1731373255 MUVIKVDXNUJXJF-QWHCGFSZSA-N 322.409 -0.462 30 20 DBED C#CCOCCC(=O)N[C@H]1C[C@@H](NCCN2CCNC2=O)C1 1752732061 ZPLCHZPATMUSPL-BETUJISGSA-N 308.382 -0.712 30 20 DBED CN(CCNCCN1CCNC1=O)C(=O)c1cc(C#N)c[nH]1 1753179011 GTDVYKCZOLNNNF-UHFFFAOYSA-N 304.354 -0.427 30 20 DBED C#CCN1CC[C@@H](N(CCC)C(=O)[C@@H](C)NS(C)(=O)=O)C1 1753329152 VVOKYSUONGXHAV-CHWSQXEVSA-N 315.439 -0.130 30 20 DBED COCC#CCN(C)C[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1 1753358770 SGYCMAPTWDNZMM-KBPBESRZSA-N 307.394 -0.305 30 20 DBED C#CCCN[C@H]1CCN(C(=O)c2nnc(O)nc2O)C[C@H]1C 1753757819 WBVBAEMOGGUDER-ZJUUUORDSA-N 305.338 -0.254 30 20 DBED C#CCNC(=O)CNC[C@H](C)NC(=O)Cc1c(C)nn(C)c1C 1754277679 SWZBJYBCGNVEOD-NSHDSACASA-N 319.409 -0.577 30 20 DBED C#CCNC(=O)CNC1(CNC(=O)CN(C)CC(C)(C)C)CC1 1754525548 VIIZLMJQJFZOBL-UHFFFAOYSA-N 322.453 -0.048 30 20 DBED N#CCN1CC[C@@](O)(CNC(=O)C[C@@H]2CCCS2(=O)=O)C1 1754755635 BHPQMWNKMRFGOG-WCQYABFASA-N 315.395 -0.970 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H](C)CN(C)C(=O)c1ccnc(O)c1 1755583247 DNZBJWKTRAAGDL-NWDGAFQWSA-N 318.377 -0.025 30 20 DBED COCC#CCN[C@H](C)CN(C)C(=O)CC[C@H]1NC(=O)NC1=O 1755615790 CKYIMUNNIOYBJZ-VXGBXAGGSA-N 324.381 -0.939 30 20 DBED N#CCN1CC[C@]2(NC(=O)CC[C@H]3NC(=O)NC3=O)CCC[C@@H]12 1755704421 LLACOXVHRGJBNX-UEKVPHQBSA-N 319.365 -0.389 30 20 DBED C=CCNC[C@H]1CC[C@H](NC(=O)CCn2cc[nH]c(=O)c2=O)C1 1755745878 KFKCXTJOFCJLPY-STQMWFEESA-N 320.393 -0.013 30 20 DBED C=CCCC(=O)N[C@H](C)[C@@H](C)NC(=O)Cn1ncn(C)c1=O 1755954541 MPXFKCVNLLCIOW-GHMZBOCLSA-N 309.370 -0.443 30 20 DBED C=CCOCC(=O)N[C@@H](C)C1CN(C(=O)[C@@H]2CCC(=O)NC2)C1 1756134749 LAPVCKVFTVWDKY-NWDGAFQWSA-N 323.393 -0.322 30 20 DBED C[C@H](C#N)C(=O)NCCCOCCNC(=O)c1n[nH]cc1F 1756401249 DJWJFQMYMSSNSU-SECBINFHSA-N 311.317 -0.039 30 20 DBED Cc1nc(O)[nH]c1C(=O)NC[C@@H](O)CN(C)C(=O)C#CC(C)C 1756661994 HMRVIOUNILFMRF-LLVKDONJSA-N 322.365 -0.368 30 20 DBED C#Cc1ccc(C(=O)N(C)C[C@H](O)CNC(=O)C(F)F)nc1 1756671933 LVOQVTSWMCZCCB-SNVBAGLBSA-N 311.288 -0.123 30 20 DBED C#CCCCCC(=O)N1C[C@H](O)[C@H](NC(=O)[C@@H]2CCOC2)C1 1757160511 VUSQTXDAJXCZGU-MCIONIFRSA-N 308.378 -0.096 30 20 DBED C#CC(=O)N1CCO[C@]2(CCN(C(=O)/C=C(\C)NC(C)=O)C2)C1 1782628979 CSHJFDSFJHZTNP-YHVDPYDOSA-N 319.361 -0.511 30 20 DBED N#CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3C=CCN3)C[C@@H]21 1786366117 GRZDSOSJLJOZTG-XUXIUFHCSA-N 318.377 -0.592 30 20 DBED COCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(C#N)CC3)[C@H]2C1 1786694539 NKJDXZLNIBFEDX-AVGNSLFASA-N 321.377 -0.084 30 20 DBED C=CCSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN)C2 1793819930 GLKDFTHESGYWGD-GNXNZQSNSA-N 313.423 -0.546 30 20 DBED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncon1)C2 1802022380 VBJSCEMKVJIPTP-PTEHBNRSSA-N 318.333 -0.314 30 20 DBED C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCn1ccnn1 1803025675 VQVPTNDYIUQEAB-CLLJXQQHSA-N 301.350 -0.060 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)c1nc2nccc(C)n2n1 3365108 JONIGIUHSVBZCH-UHFFFAOYSA-N 318.293 -0.399 30 20 DBED C[C@H](C(N)=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 15545576 WEEAOEOJHKEMDY-LLVKDONJSA-N 322.390 -0.262 30 20 DBED CN(C)CCN1CCC(NC(=O)N2CCO[C@H](C#N)C2)CC1 106330748 NTXNHUWHDAGNBL-CQSZACIVSA-N 309.414 -0.054 30 20 DBED CN(CCCNC(=O)CN1CCC(C#N)CC1)S(C)(=O)=O 141959852 IUTCRSKVHHYIHT-UHFFFAOYSA-N 316.427 -0.380 30 20 DBED COc1ccc(C#N)cc1CN1CCN(S(N)(=O)=O)CC1 162963059 OQPAVJUXZVWAHF-UHFFFAOYSA-N 310.379 -0.112 30 20 DBED CN(C)C(=NCCC(=O)N[C@@H]1CCS(=O)(=O)C1)N(C)C 261972208 DLZLFRWKBUXATN-SNVBAGLBSA-N 304.416 -0.841 30 20 DBED CO/N=C(/C(=O)NCCN1CCCS1(=O)=O)c1ccco1 266123607 IOMPHBUEUPWCDC-SDNWHVSQSA-N 315.351 -0.218 30 20 DBED C=CCN1CCC(NC(=O)NCCN2CCNC(=O)C2)CC1 272912320 JOBKVWNMUSBPGP-UHFFFAOYSA-N 309.414 -0.632 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N1CC[C@@H](NC(=O)NC2CC2)C1 274120625 AMDBDKMXGTZKHB-ZYHUDNBSSA-N 323.397 -0.077 30 20 DBED CN(C)C(=O)CNc1ccc(C#N)c(NCC(=O)N(C)C)n1 278337387 IUVXINDRSDWIMT-UHFFFAOYSA-N 304.354 -0.047 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)NCCCN1C(=O)CCC1=O 283068036 UOSDYIIZHMKQEO-JTQLQIEISA-N 316.383 -0.406 30 20 DBED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@@H](O)C2)cc1 298788141 KZIHQNAYNIRXMS-GFCCVEGCSA-N 323.374 -0.180 30 20 DBED Cn1c(NCCNC(=O)C(C)(C)C)c(C#N)c(=O)n(C)c1=O 299645287 YUBIIBWOBYUCCC-UHFFFAOYSA-N 307.354 -0.470 30 20 DBED CN(C)c1ncc(C/N=C(/O)N2C[C@H]3COC[C@@H](C2)O3)n1C 328669209 FAQIKRYNXINATN-TXEJJXNPSA-N 309.370 0.000 30 20 DBED COC(=O)C[C@H]1CSCCN1C(=O)Cn1cnc(C#N)n1 330538135 LAFLJKOHTGKAEW-VIFPVBQESA-N 309.351 -0.343 30 20 DBED C[C@H](C#N)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 330685674 RRFHKZLQCCAVNB-SECBINFHSA-N 312.351 -0.323 30 20 DBED CNS(=O)(=O)c1cccc(C(=O)N2CCN(CC#N)CC2)c1 330775749 HYMWTPVHEBHWHT-UHFFFAOYSA-N 322.390 -0.124 30 20 DBED CO[C@H]1CN(/C(O)=N/[C@H](C)CN2CCN(C)CC2)C[C@H]1OC 331142762 XSOAECYVWZVNMV-MCIONIFRSA-N 314.430 -0.118 30 20 DBED C/N=C(/O)NC(=O)CCN1CCC([C@H](O)C(=O)OC)CC1 331262259 DAYVKYVYVCHHJB-NSHDSACASA-N 301.343 -0.718 30 20 DBED Cc1cccc(=O)n1C[C@@](C)(O)C(=O)N1CC(O)(CC#N)C1 332485501 RCZWJESWOAZPNQ-CQSZACIVSA-N 305.334 -0.605 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(C#N)cn2)C1=O 336929161 OIDIKYOQGLYCNB-UHFFFAOYSA-N 313.273 -0.131 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N[C@H](C)CN1CCOCC1 340252652 VKNGVHOOYGBPRG-CYBMUJFWSA-N 313.398 -0.516 30 20 DBED COCC[C@H](NC(=O)COc1ccc(C#N)cc1OC)C(N)=O 343288514 JICSURJUSJRWBA-NSHDSACASA-N 321.333 -0.048 30 20 DBED N#CC1(NC(=O)Cn2c(-c3ncccn3)noc2=O)CCC1 343793164 NXTODYPVZABZFJ-UHFFFAOYSA-N 300.278 -0.144 30 20 DBED C=CCNC(=O)CNC(=O)N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 346832042 NPXDIFFITFFFBK-NXEZZACHSA-N 305.400 -0.248 30 20 DBED CCOC(=O)c1nn(C)cc1CNCCn1cnc(C#N)n1 348871564 YAESNYJNLHIYNF-UHFFFAOYSA-N 303.326 -0.150 30 20 DBED N#Cc1cccc(F)c1CC(=O)N1CCN(CC(N)=O)CC1 351306207 RUMRGLRAIGYUCD-UHFFFAOYSA-N 304.325 -0.131 30 20 DBED C=CCNC(=O)CNS(=O)(=O)[C@H]1CCCC[C@H]1C(=O)OC 356617289 HPNJQDYVPWMMEN-MNOVXSKESA-N 318.395 -0.060 30 20 DBED C=C[C@H](CO)NC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 426859268 OIYJSPPDGSKJAK-MRVPVSSYSA-N 315.307 -0.481 30 20 DBED CC[C@H](CC#N)NC(=O)C(=O)Nc1cnc(OC)c(C(N)=O)c1 439562794 UVFXDOOLYFWFBW-MRVPVSSYSA-N 319.321 -0.064 30 20 DBED C#CCNC(=O)C1CCN(S(=O)(=O)c2ccn(C)n2)CC1 491414346 CCFZAGGWZKOMIS-UHFFFAOYSA-N 310.379 -0.430 30 20 DBED C#CCNC(=O)CCNC1CCN(S(=O)(=O)C2CC2)CC1 491727075 KVOGMDYYPBILMV-UHFFFAOYSA-N 313.423 -0.328 30 20 DBED C#CCNC(=O)CN1CCN(Cc2ccoc2C(=O)OC)CC1 491759584 NLKJUASFCJQOCJ-UHFFFAOYSA-N 319.361 -0.067 30 20 DBED CC(C)CCn1nccc1NC(=O)C(=O)NCC(=O)NCC#N 516859425 QOFOMRKZORIGJM-UHFFFAOYSA-N 320.353 -0.376 30 20 DBED C=CCc1ccccc1OC[C@H](O)CN[C@H](CO)C(=O)NC 578749202 VSCMWLJDXRKNTJ-ZIAGYGMSSA-N 308.378 -0.149 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H](CO)[C@@H]1CCCOC1 594783403 GJCTZUQXYDJMPW-UTUOFQBUSA-N 305.400 -0.300 30 20 DBED CC[C@@]1(CO)CCCN1C(=O)C(=O)N1CCN(CCC#N)CC1 601465222 VFFLMYQVFWYDMQ-INIZCTEOSA-N 322.409 -0.192 30 20 DBED Cc1c(C#N)c(=O)n(CC(=O)N2C[C@H](C)O[C@H](C)C2)c(=O)n1C 603359388 OLZWOIOVBIZZKN-AOOOYVTPSA-N 320.349 -0.637 30 20 DBED CC#CC[C@H](CO)NC(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 651242327 XJCDQGCZBSRMBO-GHMZBOCLSA-N 303.384 -0.906 30 20 DBED C=C[C@H](CO)N[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 662166892 KRYCVKCFEWTLPM-VHSXEESVSA-N 313.379 -0.203 30 20 DBED C=C[C@H](O)C(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 667117224 ROKUQQQNGPMNIF-TUAOUCFPSA-N 303.380 -0.272 30 20 DBED C#CCNC(=O)CN(C)CC(=O)N1CCC[C@@H](C(=O)OCC)C1 726185729 WYXBGBDUHHNVFG-CYBMUJFWSA-N 323.393 -0.531 30 20 DBED C=CCN(CC(=O)OCC)S(=O)(=O)N1CCC[C@H]1C(=O)O 737534679 YNGKNFZDWFXWDR-JTQLQIEISA-N 320.367 -0.169 30 20 DBED CNS(=O)(=O)c1cc(C(=O)OCC(=O)NCCC#N)co1 756403868 KXYSPRYUTHMIMU-UHFFFAOYSA-N 315.307 -0.626 30 20 DBED C#CCNC(=S)N1CCN(c2ncnc3c2cnn3C)CC1 758187570 XERGOZVSKYRQNH-UHFFFAOYSA-N 315.406 -0.007 30 20 DBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccoc2)CC1 795821444 CWMMEAWVBIOVGE-UHFFFAOYSA-N 311.363 -0.665 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)NCCS(=O)(=O)CC1CC1 800921794 FULCBQVUQFAMHV-JTQLQIEISA-N 323.440 -0.120 30 20 DBED C[C@@H](C#N)OCCOC(=O)c1cc(S(N)(=O)=O)cn1C 801814122 CXJDBDUAFMFPGA-QMMMGPOBSA-N 301.324 -0.242 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCN([C@H](C)C(=O)NC2CC2)CC1 822303694 ZVXMANKFEAQAPS-OLZOCXBDSA-N 307.394 -0.164 30 20 DBED COC(=O)CNC(=O)COC(=O)c1cccc(C#CCO)c1 860079383 KVYSDHBHUQTYPL-UHFFFAOYSA-N 305.286 -0.524 30 20 DBED CCOC(=O)C1(C)CC(=NNC(=S)NCC(=O)NC)C1 872349678 DIJLUNRSEXLOQJ-UHFFFAOYSA-N 300.384 -0.084 30 20 DBED C#CCN1CCN(C(=O)Cn2cc(S(C)(=O)=O)cn2)CC1 901603519 OSVSAGMACXWWOE-UHFFFAOYSA-N 310.379 -0.936 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CC[C@H](OCC)C2)C1=O 910692388 KBSVGTFEAVHRLC-STQMWFEESA-N 323.393 -0.131 30 20 DBED C=C(CN(C)C)C(=O)NC1(C)CN(C(=O)C(=C)CN(C)C)C1 913839749 CJOMHXRTLCNRKM-UHFFFAOYSA-N 308.426 -0.061 30 20 DBED C#CCN1CCC[C@H](NC(=O)CCC[C@]2(C)NC(=O)NC2=O)C1 923570371 JHRUKJAKTQQZLQ-LRDDRELGSA-N 320.393 -0.031 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C[C@H]1C 947761563 MWEPSLMZMMJHJW-NEPJUHHUSA-N 318.377 -0.700 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(NC(=O)[C@H]2C[C@H]2C(=O)N(C)C)CC1 948099120 PLBZUIXIEQTORF-WCFLWFBJSA-N 320.393 -0.022 30 20 DBED C[C@H](C#N)C(=O)N1CCC2(CC1)CN(CC(=O)N(C)C)CCO2 949319846 CSBVOBIEGUSPNL-CYBMUJFWSA-N 322.409 -0.072 30 20 DBED CC(=O)N1CC(C(=O)N2CCC3(CC2)CN(CC#N)CCO3)C1 949352500 YGPFRTHTFCDJPG-UHFFFAOYSA-N 320.393 -0.318 30 20 DBED C#CCCN1CCOC2(CCN(C(=O)Cn3nccn3)CC2)C1 949379025 KGOYQQUAPKEDCZ-UHFFFAOYSA-N 317.393 -0.005 30 20 DBED C=CCN1CC[C@@H](N2CCN(C(=O)C3(C(N)=O)CC3)CC2)C1=O 949986944 WJBBZQYWGWPQOD-GFCCVEGCSA-N 320.393 -0.817 30 20 DBED CCN(C(=O)[C@@]12C[C@H]3C[C@H](C(=O)N1)[C@H]2C3)C1CN(CC#N)C1 950675945 AFWYTWWNDKOWAR-VFFTVRQLSA-N 302.378 -0.043 30 20 DBED Cn1cnc(C(=O)N[C@@H]2CCCN(C(=O)C#CC3CC3)C2)n1 950758521 JQTMLUUKRFLNNH-GFCCVEGCSA-N 301.350 -0.051 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CCN(C(=O)C(N)=O)CC1 954788535 RWEJFTVOPOTNBU-NEPJUHHUSA-N 309.366 -0.488 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NC1(C)CCN(C(=O)C(N)=O)CC1 956385509 GVODFMGLCCMMCZ-NEPJUHHUSA-N 323.393 -0.050 30 20 DBED C=CCN1CC[C@H](N2CCN(C(=O)Cc3nc[nH]n3)CC2)C1=O 957134961 QBANIVZDJFGJBR-LBPRGKRZSA-N 318.381 -0.722 30 20 DBED Cc1nc2c(C(=O)NC[C@H]3CN(CC#N)C[C@@H]3O)ccnc2[nH]1 958273181 OUDYEMMCNKUOLF-JQWIXIFHSA-N 314.349 -0.188 30 20 DBED COc1nc(C)ccc1C(=O)NC[C@@H]1CN(CC#N)C[C@@H]1O 958458409 IIQXKMGSQZPFSE-YPMHNXCESA-N 304.350 -0.055 30 20 DBED Cc1cc(CC(=O)N(C)[C@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)n[nH]1 958814071 WFZLBOYJVGGPCR-XDTLVQLUSA-N 319.365 -0.550 30 20 DBED C#CCN1C[C@@H]2C(NC(=O)CN3CCCCS3(=O)=O)[C@H]2C1 961138396 BGQUEFSJAOYENU-RYUDHWBXSA-N 311.407 -0.908 30 20 DBED C#CCCN1C[C@H]2C(NC(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)[C@@H]2C1 961742400 HJQFPVFTKLCGTL-SYQHCUMBSA-N 319.405 -0.308 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@H](NC(=O)C[C@@H]2COC(=O)C2)C1 962280130 LVWXXEHMVKZJRA-TUAOUCFPSA-N 324.377 -0.160 30 20 DBED O=C(Cn1cnnn1)N[C@H]1CCCN(C(=O)C#CC2CC2)CC1 964726306 JHJKGRQMIVCCMH-ZDUSSCGKSA-N 316.365 -0.416 30 20 DBED N#CCNC1CC2(C1)CC(NC(=O)CN1CC(=O)NC1=O)C2 965470695 XWAMDSGTXGJZNM-UHFFFAOYSA-N 305.338 -0.921 30 20 DBED C[C@H](C#N)C(=O)N1CC2(C[C@@H](NC(=O)c3ccon3)CO2)C1 965636154 ACSSHEBPSDOBKW-NXEZZACHSA-N 304.306 -0.066 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(C[C@H](NC(=O)c3cnn[nH]3)CO2)C1 965744782 SQTHKQDYOZXQSM-IUCAKERBSA-N 304.310 -0.936 30 20 DBED CC#CCN1CCO[C@]2(CCN(C(=O)[C@H]3CCC(=O)N3)C2)C1 972302913 ZHWYHQZIEAKHBK-CZUORRHYSA-N 305.378 -0.408 30 20 DBED CN(C)C(=O)CN1C[C@@H]2C(CNC(=O)c3c[nH]c(C#N)c3)[C@H]2C1 978011331 AAMSIBODYHHVCJ-ZIAGYGMSSA-N 315.377 -0.118 30 20 DBED N#CCN1C[C@H]2[C@H](CNC(=O)c3cccn4c(O)nnc34)[C@H]2C1 978938241 CVCZAYGKGQSXRW-CNDDSTCGSA-N 312.333 -0.134 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2[C@@H]3CN([C@H]4CCNC4=O)C[C@H]23)cn1 979020275 QKRBRVHYTOMPMW-JONQDZQNSA-N 324.384 -0.141 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H](N(C)C(=O)Cn2cnnc2O)C1 984585477 LRACAUSSRQAYOY-WDEREUQCSA-N 320.353 -0.407 30 20 DBED C=CCN(C)C1CCN(C(=O)CN2CCN(C)C(=O)C2)CC1 985504917 GCJVDHQWZVUSKO-UHFFFAOYSA-N 308.426 -0.131 30 20 DBED C=CCCN1CCC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)[C@H]1C 994489162 SXIQEPCQPSKGQS-VXGBXAGGSA-N 320.397 -0.078 30 20 DBED N#CCNC1CCN(C(=O)[C@@H]2CN3CC4CC3(CO2)C4)CC1 996814989 YQQZKUBZSMBOEJ-UGWHAMFMSA-N 304.394 -0.046 30 20 DBED C#CCN1CCC([C@H](C)NC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 997781806 NSDCPCNZNSLRAG-JQWIXIFHSA-N 306.366 -0.566 30 20 DBED N#CCN[C@@H]1CCCN(C(=O)[C@H]2CCc3nnc(O)n3C2)C1 999551900 ASAAGSKNYDWDQD-WDEREUQCSA-N 304.354 -0.350 30 20 DBED COc1c(O)nc(O)nc1C(=O)N(C)C1CC(NCC#N)C1 999681500 HILFZWRJMJRPRR-UHFFFAOYSA-N 307.310 -0.387 30 20 DBED C=CCn1cc(C(=O)NCC2CN(C(=O)[C@H](C)C#N)C2)nn1 1001959719 CVGZGSFLXXCSFU-SNVBAGLBSA-N 302.338 -0.188 30 20 DBED CN(C[C@H]1CCCN1C(=O)CC(N)=O)C(=O)c1cc(C#N)c[nH]1 1002295323 WNGDBTUFFODZND-LLVKDONJSA-N 317.349 -0.175 30 20 DBED COCCn1nccc1C(=O)NCC1CN(C(=O)[C@H](C)C#N)C1 1002713967 FBUCQTWVOLUDPL-LLVKDONJSA-N 319.365 -0.123 30 20 DBED C[C@@]1(C(=O)N2CCN(C(=O)C#CC3CC3)CC2)CCNC(=O)C1 1011107647 KICADFPEUPFETQ-QGZVFWFLSA-N 317.389 -0.013 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C(=O)[C@@]2(C)CCC(=O)NC2)CC1 1012108608 ZUVSUNJKROZNQF-ABAIWWIYSA-N 306.366 -0.267 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2C(NC(=O)c3cn(C)c(=O)n3C)[C@H]2C1 1013287416 YASVZVJUGYERKE-UTLUCORTSA-N 317.349 -0.930 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2ncnn2C)C1 1014770084 NWWYSQVVZOVKCQ-KBPBESRZSA-N 316.409 -0.397 30 20 DBED C[C@H](C#N)C(=O)N1CCC2(CN(C(=O)[C@H]3CCNC3=O)C2)C1 1019251164 HGCAZFRXWHTESU-MNOVXSKESA-N 304.350 -0.657 30 20 DBED C[C@H]1[C@@H](NC(=O)[C@@H]2CC(=O)N(C)C2)CCN1C(=O)C#CC1CC1 1020249737 IHLROLBPEITRRP-YUTCNCBUSA-N 317.389 -0.016 30 20 DBED C[C@H]1C[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 1023463054 PSZWKLGSUUTVQE-HWNAMQAFSA-N 302.334 -0.156 30 20 DBED C#CCN1[C@H]2CC[C@H]1CN(C(=O)[C@H]1CCN(C)S1(=O)=O)C2 1029510758 KGXVNOJICOGSAQ-RWMBFGLXSA-N 311.407 -0.671 30 20 DBED C#CCN1[C@H]2CC[C@H]1CN(C(=O)CCn1cnccc1=O)C2 1029532011 QBWOKMHUDCFRTC-KBPBESRZSA-N 300.362 -0.058 30 20 DBED N#Cc1c[nH]c(C(=O)NCC2CN([C@@H]3CCCNC3=O)C2)c1 1031603205 LITJEKDGAFMCPL-CYBMUJFWSA-N 301.350 -0.173 30 20 DBED COc1cc(OC)nc(C(=O)N2C[C@@H]3C[C@H]2CN3CC#N)n1 1032477051 CPCIFUZDQDSUHZ-UWVGGRQHSA-N 303.322 -0.084 30 20 DBED C=CCN1CC[C@H](N2CC[C@@H](N(C)C(=O)c3nc[nH]n3)C2)C1=O 1033514612 XLYHEYCHOCYEDS-NEPJUHHUSA-N 318.381 -0.262 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)c2cn(CCC=C)nn2)C1 1035536388 PQBJKNFXDIUOLQ-ZDUSSCGKSA-N 303.366 -0.082 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)C3CC(=O)NC(=O)C3)CC[C@H]21 1036841892 GYRAUZYJDJRTBM-DGCLKSJQSA-N 303.362 -0.405 30 20 DBED CC#CCN1CC[C@H]2CN(C(=O)C3CC(=O)NC(=O)C3)CC[C@H]21 1036842351 NUQXTDRUNFGEGC-GXTWGEPZSA-N 317.389 -0.015 30 20 DBED Cc1nc(C)c(C(=O)NC[C@@]2(O)CCN(C(=O)[C@@H](C)C#N)C2)[nH]1 1040940264 IEWDIFPPDQPCGE-VFZGTOFNSA-N 319.365 -0.121 30 20 DBED N#Cc1nccc(N2C[C@@H](O)[C@H](NC(=O)c3cncs3)C2)n1 1040949508 PLBJTSVMNBIBEP-RKDXNWHRSA-N 316.346 -0.216 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(O)(CNC(=O)[C@H]2CCCO2)C1 1041351294 YKSBBNNYIZMWKV-RISCZKNCSA-N 312.366 -0.818 30 20 DBED C#CCCN1CC[C@@]2(CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)C1 1041676018 UHYXRRVOCVAVCF-JJRVBVJISA-N 319.405 -0.033 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]2C(=O)OC)C1 1041985583 VPNRNAXQMLJYGQ-GHMZBOCLSA-N 310.350 -0.549 30 20 DBED C#CCN1CC[C@@H]2CCN(C(=O)c3cnc(O)n(C)c3=O)C[C@@H]21 1042181389 GOIUGBZQVCLAAT-YPMHNXCESA-N 316.361 -0.345 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)c2c[nH]c(C#N)c2)C1 1042669663 UBQRNSGZUKYDLA-SECBINFHSA-N 301.306 -0.651 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)c2ncccc2O)C1 1042712678 FRIMIEUUMKZKEI-VIFPVBQESA-N 304.306 -0.750 30 20 DBED C=C(C)CCC(=O)N1CC(O)(CNC(=O)[C@H](C)NC(N)=O)C1 1042759971 HNSOFDNAKPQYOI-JTQLQIEISA-N 312.370 -0.911 30 20 DBED COCCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042963125 HQXPNZQMFMMODO-LBPRGKRZSA-N 324.377 -0.859 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)c2nonc2C)C1 1043717843 RINURQRLLJWKHB-UHFFFAOYSA-N 306.322 -0.515 30 20 DBED C[C@H]1OCC[C@@]1(C)C(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1043950305 PPXJNSDWPLGAOU-MLGOLLRUSA-N 320.389 -0.096 30 20 DBED C=C[C@@](C)(CC)C(=O)N1CC(O)(CNC(=O)[C@@H]2CCNC2=O)C1 1044451139 DNBUDKULBZNJCM-ABAIWWIYSA-N 323.393 -0.586 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(O)(CNC(=O)CCCF)C1 1044842509 UEMHMDAKKBONNK-ZDUSSCGKSA-N 302.346 -0.247 30 20 DBED CCn1cccc1C(=O)N1CC(O)(CNC(=O)[C@@H](C)C#N)C1 1045555494 RSPWIUDAIOUCNS-NSHDSACASA-N 304.350 -0.029 30 20 DBED C#CCN1CCC(C)(NC(=O)[C@@H]2CN(C(C)=O)CCO2)CC1 1045632909 HZOACTGDEZMUIF-AWEZNQCLSA-N 307.394 -0.162 30 20 DBED C[C@@H](C#N)C(=O)N1CCN([C@H]2CCN(CC(=O)N(C)C)C2)CC1 1046011721 GJJSKPFRWHWNBI-KBPBESRZSA-N 321.425 -0.547 30 20 DBED C=CCCN1CC[C@H](N2CCN(C(=O)[C@H]3CCNC3=O)CC2)C1 1046049679 VHOMIQPCIYJCJM-GJZGRUSLSA-N 320.437 -0.083 30 20 DBED C#CCN1CC[C@H](N2CCN(C(=O)c3cnc(O)n3C)CC2)C1 1046049715 WIXOUPMISXKJLQ-ZDUSSCGKSA-N 317.393 -0.409 30 20 DBED CC#CCCCC(=O)N1CC(O)(CNC(=O)Cn2cncn2)C1 1046875761 PMVTUXRQNUGYRM-UHFFFAOYSA-N 319.365 -0.839 30 20 DBED Cn1cc(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)N(CC#N)C3)ncc1=O 1047113178 AHLCZBVNCRACMC-TUAOUCFPSA-N 301.350 -0.113 30 20 DBED C=CCO[C@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cc[nH]n2)C1 1048335304 CGABXROFOHZSMA-WXHSDQCUSA-N 322.365 -0.356 30 20 DBED C=C[C@](C)(O)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cn[nH]c2)C1 1048350019 NDWOXHREQNYWIL-HUBLWGQQSA-N 322.365 -0.620 30 20 DBED C[C@H](C(=O)N1C[C@@H]2CN(CC#N)C[C@@H]2C1)N1C(=O)CCC1=O 1048848863 WLBYRRCMVGGOID-UTUOFQBUSA-N 304.350 -0.562 30 20 DBED Cc1cnoc1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)C#N)C1 1049394266 IQLQYOKMLIJZSW-LSJOCFKGSA-N 306.322 -0.214 30 20 DBED C=CCOCC(=O)N[C@H](C)[C@H]1CCN(C(=O)Cn2nccn2)C1 1050837672 YVOOFPVELDNDPS-OLZOCXBDSA-N 321.381 -0.166 30 20 DBED CNC(=O)CN1CCOC[C@@H]1CNC(=O)c1c[nH]c(C#N)c1 1050878701 XAPUPDRXNSHTTI-LBPRGKRZSA-N 305.338 -0.937 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)c1ccc(C(N)=O)cc1 1051238397 MEVDEIWMNXCGNV-CQSZACIVSA-N 301.346 -0.151 30 20 DBED N#CCN1CCN([C@@H]2CCN(C(=O)c3cnns3)C2)CC1 1051991592 JSKBZCQEVMZZCJ-LLVKDONJSA-N 306.395 -0.106 30 20 DBED C=CCCN1CCC[C@@H](NC(=O)CN2CCNC(=O)C2)CC1 1052622578 VIHNDYXHIIHDLJ-CQSZACIVSA-N 308.426 -0.035 30 20 DBED C=C(C)CCN1CC2(C1)CN(C(=O)CCn1cnnn1)CCO2 1053483363 MVZCSVUBIKQWJU-UHFFFAOYSA-N 320.397 -0.057 30 20 DBED C=CCN1CC2(C[C@H](NC(=O)c3cc(C(N)=O)cn3C)CO2)C1 1053858554 KMLHJNSPJGIELB-LBPRGKRZSA-N 318.377 -0.117 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)[C@H]3CCCN(C(C)=O)C3)CO2)C1 1053864443 AFIADYDBAGJKKN-LSDHHAIUSA-N 319.405 -0.162 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)c3ccc4nnnn4c3)CO2)C1 1053870014 ZTBUMJOIOJJXDA-GFCCVEGCSA-N 312.333 -0.669 30 20 DBED Cc1ccc(C#N)c(N2C[C@H]3C(NC(=O)c4nnn(C)n4)[C@@H]3C2)n1 1056372273 KNYBKQNZBWXVHX-GHMZBOCLSA-N 324.348 -0.350 30 20 DBED CN(c1cnc(C#N)cn1)[C@H]1CCN(C(=O)Cn2cnnn2)C1 1056849424 DTXHKVYZBINUDU-NSHDSACASA-N 313.325 -0.928 30 20 DBED CS(=O)(=O)CC(=O)N1CCCN(c2cnc(C#N)cn2)CC1 1057100770 WQHRDVARJBNEHC-UHFFFAOYSA-N 323.378 -0.568 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)C1CCOCC1 1057193536 IMWYXTMARPBVMG-UHFFFAOYSA-N 314.382 -0.447 30 20 DBED C#CCO[C@H](C)C(=O)NCCN(CCO)C(=O)c1cn(C)cn1 1057346403 AISZEOJODHKZDZ-GFCCVEGCSA-N 322.365 -0.991 30 20 DBED CC(C)(O)CC(=O)N(CCO)CCNC(=O)c1ccc(C#N)[nH]1 1057460827 OCTRZKHRNBJAQP-UHFFFAOYSA-N 322.365 -0.402 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)c1cc2n(n1)CCC2 1057896107 QYOTUSFMMNNZCL-LLVKDONJSA-N 319.365 -0.460 30 20 DBED C=C[C@@](C)(CC)C(=O)NCCN(CCO)C(=O)c1nnn(C)n1 1058422217 XXFADCHTIDYJOS-AWEZNQCLSA-N 324.385 -0.637 30 20 DBED CCCn1cc(C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N)nn1 1058664679 IDVRRLJZUGBHOW-NSHDSACASA-N 322.369 -0.602 30 20 DBED C#CCO[C@H](C)C(=O)NCCN(CCO)C(=O)[C@H]1CC12CC2 1058942491 DBDYDVIUUSMUTK-CHWSQXEVSA-N 308.378 -0.238 30 20 DBED COC(=O)NCC(=O)N1CC[C@H](CCNC(=O)[C@H](C)C#N)C1 1059241540 SOTUXZQYTKQJMR-MNOVXSKESA-N 310.354 -0.143 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)[C@]2(C)CNC(=O)C2)CCC1 1063679940 YYULFLOVGQDLLE-YGRLFVJLSA-N 306.366 -0.173 30 20 DBED Cn1nnc(C(=O)N[C@@H]2[C@H]3C[C@H]2N(c2ccc(C#N)cn2)C3)n1 1064323812 AKBRQEFWGLJZCK-HOSYDEDBSA-N 310.321 -0.516 30 20 DBED N#Cc1cncc(N2CC[C@]3(CCN(C(=O)CC(N)=O)C3)C2)n1 1064610443 WXDQIHPJWLZKQN-HNNXBMFYSA-N 314.349 -0.348 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)CN(C)C(C)=O)CCO1 1064883498 QFSBIEMVLZBKQY-CQSZACIVSA-N 323.393 -0.388 30 20 DBED C=CCOCC(=O)N1CCO[C@@H](CNC(=O)[C@H](CC)OC)C1 1064977705 WYSLYMDZOPTPAD-STQMWFEESA-N 314.382 -0.042 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)c2cnn(C)c2N)CCO1 1065071948 SGQHEFMAEHDSQL-LLVKDONJSA-N 321.381 -0.074 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H]1CN(C(=O)c2ncc[nH]2)CCO1 1065124615 OZYOZRJUZJWGEY-NEPJUHHUSA-N 320.349 -0.595 30 20 DBED C#CCOCCC(=O)N1CCO[C@@H](CNC(=O)[C@@H]2CCOC2)C1 1065150048 KHUZHSXZKVSLSU-KGLIPLIRSA-N 324.377 -0.594 30 20 DBED Cn1cc(C(=O)N[C@@]2(C)CCN(c3ccnc(C#N)n3)C2)nn1 1065246349 CTEQWPWQLODJGM-AWEZNQCLSA-N 312.337 -0.124 30 20 DBED C=CC(C)(C)C(=O)NC[C@H]1CN(C(=O)[C@@H]2CCNC2=O)CCO1 1065423136 XBBAQLWHMRDCIX-NWDGAFQWSA-N 323.393 -0.322 30 20 DBED C=CCOCC(=O)N1CC2(CN(C(=O)CCOC)CCO2)C1 1068268695 JVHXCBMQEZAQCV-UHFFFAOYSA-N 312.366 -0.335 30 20 DBED C[C@H]1C[C@@H](C(=O)N2CCC(=O)NCCN(CC#N)CC2)CCO1 1071010377 IYDAMRHOPOCGJN-KBPBESRZSA-N 322.409 -0.024 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CCN(C(=O)c2nnn(C)n2)CC1(C)C 1073484265 FCTGBQCGGZBZTR-NXEZZACHSA-N 319.369 -0.273 30 20 DBED C=CCOCC(=O)NCC[C@H](C)NC(=O)[C@@H]1CN(C)CCO1 1075917733 HAISLZTVVKOROD-STQMWFEESA-N 313.398 -0.469 30 20 DBED C#CCCN1C[C@@H]2CCN(C(=O)[C@H]3CCS(=O)(=O)N3)[C@@H]2C1 1076582048 ITUOUZYEVBNOFJ-YNEHKIRRSA-N 311.407 -0.766 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCN(C(C)=O)C2)C1 1077335399 PEKKUWKCVWILOW-RRFJBIMHSA-N 309.410 -0.018 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN([C@H]3CCC(=O)NC3=O)C[C@H]2O)C1 1077641730 DUVGIPPAXJUZRR-GRYCIOLGSA-N 321.377 -0.691 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)C2CCN(C(C)=O)CC2)C1 1078150664 KNWALVJMKREGHK-HUUCEWRRSA-N 309.410 -0.018 30 20 DBED CCN(C(=O)C(C)(C)C(N)=O)C1CN(C(=O)C#CC2CC2)C1 1079949531 GDQOOOKFRJRHMN-UHFFFAOYSA-N 305.378 -0.029 30 20 DBED C#Cc1cncc(C(=O)N2C[C@@H](O)[C@H](CNC(=O)COC)C2)c1 1081185706 FJXMGQHVBHTBAG-ZIAGYGMSSA-N 317.345 -0.742 30 20 DBED CSCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CSCC#N)C1 1081286213 ITXRYHBWVKCHOV-VHSXEESVSA-N 317.436 -0.458 30 20 DBED CSCC(=O)N1C[C@H](O)[C@H](CNC(=O)CSCC#N)C1 1081286214 ITXRYHBWVKCHOV-ZJUUUORDSA-N 317.436 -0.458 30 20 DBED N#CCSCC(=O)NC[C@@H]1CN(C(=O)c2cocn2)C[C@@H]1O 1081286752 OPVBWOROURPATQ-KOLCDFICSA-N 324.362 -0.520 30 20 DBED N#CCSCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2ccon2)C1 1081305783 VCLSNPRAWMXCBO-GXSJLCMTSA-N 324.362 -0.520 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)Cc2nnc(C)o2)C[C@@H]1O 1081335473 LSGADPOVBQMJHM-RYUDHWBXSA-N 322.365 -0.178 30 20 DBED C=CCCC(=O)N1C[C@H](CNC(=O)c2cnnn2CC)[C@@H](O)C1 1081460075 BWXOPTDUGDVUEO-AAEUAGOBSA-N 321.381 -0.187 30 20 DBED C#CCOCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C#CC(C)C)C1 1081465406 GWBBGNIUBAAXCZ-LSDHHAIUSA-N 320.389 -0.379 30 20 DBED Cn1cccc1C(=O)N1C[C@H](O)[C@H](CNC(=O)C#CC2CC2)C1 1081468814 OSJRDWYWSIIBPI-HIFRSBDPSA-N 315.373 -0.012 30 20 DBED C=CC(C)(C)C(=O)NC[C@H]1CN(C(=O)Cn2nccn2)C[C@H]1O 1081642827 LMVNFNUOHDFJBZ-NWDGAFQWSA-N 321.381 -0.574 30 20 DBED C=CCCC(=O)N1C[C@H](CNC(=O)CCc2cnn[nH]2)[C@@H](O)C1 1081779033 HVAMQDVBZQWCCQ-AAEUAGOBSA-N 321.381 -0.361 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H]2CN(CCN3CCNC3=O)C[C@@H]21 1083026846 PKXOJZOVVYKYTL-RWMBFGLXSA-N 321.381 -0.917 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cn2c(n1)CCC2 1083084389 NBAICSIPWMNOER-UONOGXRCSA-N 300.362 -0.012 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cn(CCC)nn1 1083236269 SUJKUMHFKIRCOC-UONOGXRCSA-N 303.366 -0.154 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCCN(C(C)=O)C2)C1 1083617291 DOXNOAGTXYQTPC-ZNMIVQPWSA-N 307.394 -0.571 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCc3nncn3C2)C1 1084086065 OJJYZKBMQAZOMY-UPJWGTAASA-N 305.382 -0.422 30 20 DBED CC#CCN1CC[C@H](OCC2CCN(C(=O)C(N)=O)CC2)C1 1088237485 VSFSDVFJDWPWLN-AWEZNQCLSA-N 307.394 -0.176 30 20 DBED C[C@@H]1CC[C@@H](NC(=O)CC(N)=O)CN1c1ccc(C#N)nn1 1089128034 UVNDWVYEJNWJDK-MWLCHTKSSA-N 302.338 -0.303 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2nnn(C(C)(C)C)n2)[C@H](O)C1 1090280417 TVXDLZVFCDTKBL-GHMZBOCLSA-N 306.370 -0.774 30 20 DBED C=CCN1CC[C@@H](NC(=O)Cn2cc(C3CC3)nn2)[C@@H](O)C1 1090319855 SSPIPBMKUAPYOE-OCCSQVGLSA-N 305.382 -0.107 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2nc[nH]c3nccc2-3)[C@H](O)C1 1090398164 VXEYZRHVNZPLGN-GHMZBOCLSA-N 300.322 -0.402 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2ncc(OC)cn2)[C@H](O)C1 1090419954 LZXZUBYURNYZOM-QWHCGFSZSA-N 304.350 -0.327 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2ccc3nnnn3c2)[C@@H](O)C1 1090430799 QGGNUUSQUSQSAQ-OLZOCXBDSA-N 314.349 -0.687 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cc(=O)c(OC)co2)[C@H](O)C1 1090432149 IPPIPUSBHFFIIY-CMPLNLGQSA-N 306.318 -0.553 30 20 DBED C#CCN1CC[C@@H](NC(=O)C(C)(C)N2CCOCC2)[C@@H](O)C1 1090639914 FNAVKQUQZOZBEZ-KGLIPLIRSA-N 309.410 -0.718 30 20 DBED N#CCN1CC[C@H](NC(=O)c2ccc3nncn3c2)[C@H](O)C1 1090640432 IICVDRLVTCNYRR-NWDGAFQWSA-N 300.322 -0.582 30 20 DBED C#CCNC1CC(CNC(=O)[C@@H]2CN3CC4CC3(CO2)C4)C1 1091151372 VHLNUKQIBSTLBN-RDVIWEACSA-N 303.406 -0.033 30 20 DBED N#Cc1nc(=N[C@@H]2CCCC[C@H]2NC(=O)CNC(N)=O)cc[nH]1 1091232921 ZPSLQXSIGURWQT-NXEZZACHSA-N 317.353 -0.722 30 20 DBED C#CCNC(=O)CC(=O)N1CCN(c2cc(F)ncn2)CC1 1093149066 UZTNWWKMCDRCGX-UHFFFAOYSA-N 305.313 -0.596 30 20 DBED N#Cc1ccc(N2CCN(C(=O)CCCC(N)=O)CC2)nn1 1093162025 LTTBMYQCXCCHCW-UHFFFAOYSA-N 302.338 -0.348 30 20 DBED CC(=O)NC(C)(C)C(=O)N1CCN(c2cnc(C#N)cn2)CC1 1093163471 BODOCMUMJPAEMN-UHFFFAOYSA-N 316.365 -0.088 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@@H]2CN(c3cc(F)ncn3)C[C@@H]12 1093265651 JSJKNLAUMLNVSQ-NXEZZACHSA-N 317.324 -0.694 30 20 DBED N#Cc1ccc(NCCNC(=O)[C@@H]2CCS(=O)(=O)C2)nn1 1093978728 QRNSLIKHISQVKO-SECBINFHSA-N 309.351 -0.689 30 20 DBED N#Cc1nc(=NCCNC(=O)c2nc[nH]c3nccc2-3)cc[nH]1 1094251190 ULTQRRGRGNMBPC-UHFFFAOYSA-N 308.305 -0.165 30 20 DBED C#CCN1CC(n2cc(CNC(=O)c3[nH]cnc3CC)nn2)C1 1094336548 HYTMIKFGILGAPE-UHFFFAOYSA-N 313.365 -0.017 30 20 DBED CC[C@@H](F)C(=O)N1CCN(CC#N)[C@H]2CS(=O)(=O)C[C@H]21 1094653163 DOBBFUPNFACQTF-OUAUKWLOSA-N 303.359 -0.432 30 20 DBED Cc1cc(C#N)nc(NCCCNC(=O)[C@@H]2CN(C)C(=O)N2)n1 1094709650 VCFMDIDLIMZPJI-NSHDSACASA-N 317.353 -0.402 30 20 DBED COCC(=O)NCCC(=O)NCCCNc1cnc(C#N)cn1 1094846803 IAZSFUQIPDDIPR-UHFFFAOYSA-N 320.353 -0.581 30 20 DBED C=CCN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN1C(=O)CNC1=O)C2 1095052211 LMDBTXUJGCHIIW-SRVKXCTJSA-N 306.366 -0.307 30 20 DBED CNC(=O)CC(=O)N1CCC[C@H](Nc2nccnc2C#N)C1 1095288667 JZZXBBKEJCFDPL-JTQLQIEISA-N 302.338 -0.113 30 20 DBED N#Cc1cncc(N[C@H](CNC(=O)Cn2cnnn2)C2CC2)n1 1096568572 ZWNBKGHJOHCYDK-LLVKDONJSA-N 313.325 -0.658 30 20 DBED CC#CCN(CCO)C1CCN(C(=O)[C@@H]2CCN(C)C2=O)CC1 1098456930 QYCXOQKXHAYKDN-OAHLLOKOSA-N 321.421 -0.227 30 20 DBED C#CCN1C[C@@H]2CCC[C@]2(NC(=O)Cn2c(O)nnc2O)C1 1099139175 XTWURNAWGPNANN-HZMBPMFUSA-N 305.338 -0.707 30 20 DBED CC(C)C#CC(=O)N[C@H]1CCN(CC(=O)NCC(C)C)C[C@H]1O 1099821753 XROBFGTULXWMHO-LSDHHAIUSA-N 323.437 -0.031 30 20 DBED C=CCN1CC[C@@H](NC(=O)CCCN2C(=O)CCC2=O)[C@@H](O)C1 1099864465 SIEPXFSCLWTBGL-OLZOCXBDSA-N 323.393 -0.347 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)C(C)(C)C2CC2)[C@@H](O)C1 1099952685 XFKJXNNOURWJAE-KBPBESRZSA-N 321.421 -0.277 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)CCCS(C)(=O)=O)[C@H](O)C1 1100032494 WJNGDOAAIARHSP-QWHCGFSZSA-N 318.439 -0.061 30 20 DBED Cc1cc(N(C)CCNC(=O)[C@H]2COC(=O)N2)c(C#N)cn1 1100049340 BMTOOKMNFOXEAM-LLVKDONJSA-N 303.322 -0.078 30 20 DBED C#CCN1CC[C@H](NC(=O)C(C)(C)NC(=O)NCC=C)[C@@H](O)C1 1100128891 FGLATOUNUMILHS-STQMWFEESA-N 322.409 -0.565 30 20 DBED CN(CCNC(=O)CNC(=O)C1CCC1)c1ccc(C#N)nn1 1100154286 BKNRJJOFLMIYAY-UHFFFAOYSA-N 316.365 -0.183 30 20 DBED CO[C@@H](C(=O)NCCN(C)c1ccnc(C#N)n1)[C@@H]1CCOC1 1100250567 IMXROGJVHUKQSV-BXUZGUMPSA-N 319.365 -0.048 30 20 DBED C#CCOCCC(=O)NCC1CC(NCC(=O)NC2CC2)C1 1100325233 YHJRMOCEUJJROZ-UHFFFAOYSA-N 307.394 -0.211 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CC(CNC(=O)C(C)(C)C(N)=O)C1 1100426608 QPHOVMPNWLSOAH-VOMCLLRMSA-N 322.409 -0.880 30 20 DBED CC#CCNC1CC(CNC(=O)[C@H](CCC(N)=O)NC(C)=O)C1 1100763251 PILWKCMBSUIVFM-RUXDESIVSA-N 322.409 -0.736 30 20 DBED N#Cc1ccc(N2CCC[C@H]2CNC(=O)CNC(N)=O)cn1 1100779168 BRSGGLJRNRTTMW-NSHDSACASA-N 302.338 -0.293 30 20 DBED CS(=O)(=O)CC(=O)NC[C@H]1CCN(c2ccc(C#N)nn2)C1 1100961278 GOGHBEJYLYMHTB-SNVBAGLBSA-N 323.378 -0.665 30 20 DBED C#CCNC(=O)[C@H](C)NC1CC(CNC(=O)Cn2ccnc2)C1 1101069117 IHIHPVLXZZFWQV-HSBZDZAISA-N 317.393 -0.495 30 20 DBED N#Cc1nccnc1N(CCNC(=O)C1(C(N)=O)CC1)C1CC1 1101442874 JMBACCHZOOSVBC-UHFFFAOYSA-N 314.349 -0.301 30 20 DBED CN(CCN=c1cc[nH]cc1C#N)C(=O)C1CS(=O)(=O)C1 1101794337 AQSDXANCLNBPIB-UHFFFAOYSA-N 308.363 -0.710 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H]1CN(Cc2cnon2)C[C@H]1C 1101900049 GHCXXRGTESXZDB-VXGBXAGGSA-N 319.365 -0.607 30 20 DBED CN(CCNc1cncc(C#N)n1)C(=O)c1nnc(O)nc1O 1102050463 QMSONZMQVVLWCY-UHFFFAOYSA-N 316.281 -0.871 30 20 DBED N#Cc1ccc(N2[C@H]3CC[C@H]2CN(C(=O)CNC(N)=O)C3)cn1 1102183831 FKFSWJUNIOWKNQ-STQMWFEESA-N 314.349 -0.199 30 20 DBED CC[C@H](CNC(=O)[C@@H]1CCNC1=O)Nc1cnc(C#N)cn1 1103259734 RRCBDZVZUSVCSP-MWLCHTKSSA-N 302.338 -0.209 30 20 DBED CCn1cc(C(=O)N2CC(n3cc(CNCC#N)nn3)C2)cn1 1105194637 BRNPYKJVYUHPJO-UHFFFAOYSA-N 314.353 -0.195 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)CN2CCCC2=O)cn1 1105716383 QIOBHHXZPKMBAB-ZDUSSCGKSA-N 317.349 -0.535 30 20 DBED C[C@@H](C(=O)NC[C@@H](O)CN=c1cc[nH]cc1C#N)n1cccn1 1105768300 XLNMSPHBVXIOJL-AAEUAGOBSA-N 314.349 -0.278 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@@H]1CN(C(=O)c2cn[nH]c2)C[C@H]1C 1105867773 OPHQINHNWUGOAM-MBNYWOFBSA-N 317.393 -0.155 30 20 DBED CCN(C)CCC(=O)NC[C@@H](O)CN=c1cc(C)[nH]cc1C#N 1105944730 YDVVGLUNRRKCAO-AWEZNQCLSA-N 319.409 -0.086 30 20 DBED Cc1cnn(C)c1C(=O)NC[C@H](O)CNc1ccc(C#N)nn1 1106059812 JURQRDKBGFWEOT-LLVKDONJSA-N 315.337 -0.407 30 20 DBED N#Cc1cncc(NC/C=C\CNC(=O)[C@@H]2CCCNC2=O)n1 1107390201 SILDEMFNLUWLCV-BIOMNHJASA-N 314.349 -0.041 30 20 DBED CN1C[C@@H](C(=O)NC/C=C\CNc2nccnc2C#N)NC1=O 1107452156 UKJQZBAECNCSLQ-QUCGXOGASA-N 315.337 -0.544 30 20 DBED N#Cc1cncc(NC/C=C\CNC(=O)[C@@H]2CCC(=O)NC2)n1 1107592395 DESARLJLMHMUQN-RFMOXSJOSA-N 314.349 -0.041 30 20 DBED C[C@@H](C#N)C(=O)NC[C@]1(C)CN(CC(=O)N2CCC2)CCO1 1107819704 TYSXMISKFSIZFV-SWLSCSKDSA-N 308.382 -0.415 30 20 DBED CC#CCN1CCO[C@](C)(CNC(=O)CCNC(=O)NC)C1 1107919760 DOLFFXPTSTYUMI-OAHLLOKOSA-N 310.398 -0.464 30 20 DBED C[C@@H](CNc1ccc(C#N)nn1)NC(=O)c1cnn(C)c1N 1108316162 DYORAOSNTVEDTI-QMMMGPOBSA-N 300.326 -0.106 30 20 DBED C[C@H](CN(C)c1ccc(C#N)nn1)NC(=O)CNC(=O)C1CC1 1108833636 NSQFKSACLAGUGI-SNVBAGLBSA-N 316.365 -0.185 30 20 DBED N#Cc1nccnc1N1C[C@H]2C[C@H]1[C@@H]2NC(=O)CCn1cncn1 1109681587 ZUOVCKIIYWNPIF-SCDSUCTJSA-N 324.348 -0.277 30 20 DBED N#Cc1cncc(NC[C@H](NC(=O)Cn2nccn2)C2CC2)n1 1109912677 LTSJARGAEHAMJK-LBPRGKRZSA-N 312.337 -0.053 30 20 DBED N#Cc1nccnc1NC1(CNC(=O)CCn2cnnn2)CC1 1110202242 NYFVKUYHHKAFFP-UHFFFAOYSA-N 313.325 -0.514 30 20 DBED CC(=O)N(C)CC(=O)N[C@]1(C)CCN(c2cncc(C#N)n2)C1 1110722820 QPGCJGZEYKKCDY-OAHLLOKOSA-N 316.365 -0.088 30 20 DBED CCC(=O)NCC(=O)N(CCO)CCNc1cncc(C#N)n1 1111429500 NVHKWROGXDXFSH-UHFFFAOYSA-N 320.353 -0.893 30 20 DBED CO[C@H](C)C(=O)NC[C@H]1COCCN1c1nccnc1C#N 1111656525 DKTRRUUIEIATMN-MNOVXSKESA-N 305.338 -0.295 30 20 DBED C[C@@H]1CN(C(=O)CCNC(N)=O)C[C@@H]1Nc1cnc(C#N)cn1 1112312299 FCKHNNPGLGGECY-KOLCDFICSA-N 317.353 -0.335 30 20 DBED CSCC(=O)NC[C@@H]1CN(c2nccnc2C#N)C[C@@H]1O 1112697904 PXDYODKWXFIEEP-KOLCDFICSA-N 307.379 -0.375 30 20 DBED COCC#CCN1CCN(C(=O)[C@H](C)[C@@H]2CCC(=O)N2)CC1 1113365281 CVVDDTFIRFYEHH-KGLIPLIRSA-N 307.394 -0.305 30 20 DBED C[C@@H](CNC(=O)[C@H](C)C#N)N(C)c1ncnc2c1nnn2C 1113537322 LPZKWOFFVLBUMX-BDAKNGLRSA-N 302.342 -0.141 30 20 DBED C=CCCO[C@@H](C)C(=O)N[C@H]1[C@@H]2CN(Cc3nnnn3C)C[C@@H]21 1113995585 FJZZZCCBKGMLLG-CIQGVGRVSA-N 320.397 -0.262 30 20 DBED CC1(C)CN(c2ccnc(C#N)n2)C[C@@H]1NC(=O)CC(N)=O 1114428107 YKEHGHFJVDIKOR-VIFPVBQESA-N 302.338 -0.445 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@@H]3CCC3(F)F)[C@H]2C1 1114447684 SYVOKPMTLLQMLV-SRRSOLGSSA-N 311.332 -0.173 30 20 DBED C=CCN1C[C@H]2[C@H](NC(=O)CS(=O)(=O)N(CC)CC)[C@H]2C1 1114904660 YAKISDNNAHDYOR-IMRBUKKESA-N 315.439 -0.110 30 20 DBED CNC(=O)CC(=O)N[C@H](C)CCCN=c1cc[nH]c(C#N)n1 1114906427 DGLNQSFJOFAWEV-SNVBAGLBSA-N 304.354 -0.397 30 20 DBED C#CCN1C[C@@H]2C(NC(=O)[C@@H](NC(=O)COC)C(C)C)[C@H]2C1 1114939054 AYTFSNVUFSCDSI-OBJOEFQTSA-N 307.394 -0.547 30 20 DBED C#CCN1C[C@H]2[C@H](NC(=O)CCCCCS(N)(=O)=O)[C@H]2C1 1115368489 RVZFMJGAXWWLHA-IMRBUKKESA-N 313.423 -0.485 30 20 DBED C[C@@H](CN(C)C(=O)Cn1cnnc1O)Nc1cncc(C#N)n1 1115687605 UDOQLBUQUAVCNE-VIFPVBQESA-N 316.325 -0.396 30 20 DBED C=CCN(C(=O)[C@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 1115890370 HZDHMUWESCTBJH-QWRGUYRKSA-N 321.420 -0.377 30 20 DBED C=CCN(CC=C)C(=O)C(=O)N[C@H]1CCCS(=O)(=O)C1 1117364893 GSJXQHDLCFERPD-NSHDSACASA-N 300.380 -0.120 30 20 DBED C=CCOCCNC1CC2(C1)CC(NC(=O)CNC(N)=O)C2 1120606118 HLZPRLXCDQBBKR-UHFFFAOYSA-N 310.398 -0.126 30 20 DBED CN1CCC[C@H]1C(=O)NC[C@@H](CO)Nc1ccc(C#N)cn1 1121240153 GBSLAKOXKHPJFF-STQMWFEESA-N 303.366 -0.064 30 20 DBED C=CCO[C@@H](C)C(=O)NC[C@@H](CO)Nc1ccc(C#N)nn1 1121750416 ZRNCKYHVVRYFJL-JQWIXIFHSA-N 305.338 -0.172 30 20 DBED C[C@@H]1CCCN1CC(=O)NC[C@H](CO)Nc1cnc(C#N)cn1 1122525914 GOLJRLPHHVBGNI-DGCLKSJQSA-N 318.381 -0.278 30 20 DBED CC1(C)CN(C(=O)CNC(N)=O)C[C@@H]1Nc1nccnc1C#N 1123901014 HQDOPQKKWNDCGT-JTQLQIEISA-N 317.353 -0.335 30 20 DBED CN(C[C@@H](O)CNc1ccc(C#N)nc1)C(=O)[C@@H]1CCNC1=O 1124693745 IQBPYJDFXBSQSX-QWHCGFSZSA-N 317.349 -0.679 30 20 DBED C#CCNCc1nnc2n1CC[C@H](NC(=O)CCOC)CC2 1127919325 XUEJRSHDECNQHW-GFCCVEGCSA-N 305.382 -0.142 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1cccc2nc(O)[nH]c12 1129687687 OWUCVCLIHRQVHC-UHFFFAOYSA-N 316.321 -0.772 30 20 DBED C#CCOCCC(=O)NCc1c[nH]nc1[C@@H]1CCN(CCO)C1 1130389369 PRYKQQKYJJKHTB-CYBMUJFWSA-N 320.393 -0.153 30 20 DBED C#CCN1C[C@H](NC(=O)CCn2cc[nH]c(=O)c2=O)CC[C@@H]1C 1132352946 CEXDWGUFYRJHHF-QWHCGFSZSA-N 318.377 -0.471 30 20 DBED COCC#CCNCCNC(=O)CCCn1ccccc1=O 1132370235 ORUILKNRMWZPSW-UHFFFAOYSA-N 305.378 -0.016 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)c1nccnc1N 1133954439 QJKMJSZYIMPVIM-WDEREUQCSA-N 318.381 -0.705 30 20 DBED COCC#CCNCCNC(=O)c1nnn(C)c1C(F)(F)F 1134973085 CPYJHMSORWTGPP-UHFFFAOYSA-N 319.287 -0.197 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)c1cccnn1 1135641167 NYXOZDWMNDXXIU-UHFFFAOYSA-N 304.354 -0.442 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)CNC(=O)C1CCOCC1)NCC#N 1135701515 LPOMXZNPGCWGPD-NWDGAFQWSA-N 310.398 -0.074 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)c1cnccn1)C2 1146905834 UKHURMPJVRUMJZ-UHFFFAOYSA-N 313.361 -0.626 30 20 DBED N#CCN1CCC2(C1)CN(C(=O)CCCn1c(O)nnc1O)C2 1147830448 TURFYOFEMXUKGV-UHFFFAOYSA-N 320.353 -0.473 30 20 DBED COCC#CCN1CCC2(C1)CN(C(=O)[C@H]1CN(C)C(=O)N1)C2 1148025372 ZZTXASWXDSMPEI-CYBMUJFWSA-N 320.393 -0.806 30 20 DBED CCOc1ccc(CC(=O)NCCNCC(=O)NCC#N)cc1 1150026199 OOEWOAFNOCNFMJ-UHFFFAOYSA-N 318.377 -0.027 30 20 DBED COCCC1(NC(=O)[C@@H]2CN(C)CCO2)CCN(CC#N)CC1 1151047674 VEPCQDDPUJICBU-AWEZNQCLSA-N 324.425 -0.172 30 20 DBED Cc1cc(O)nc(C)c1C(=O)NCCNCC(=O)NCC#N 1151815259 SJORANATDQAZRY-UHFFFAOYSA-N 305.338 -0.637 30 20 DBED CCN(CC#N)[C@H](C)CNC(=O)CNC(=O)C1CCOCC1 1155883852 MQCJXJWNPYZNOO-GFCCVEGCSA-N 310.398 -0.121 30 20 DBED C#CCO[C@@H](C)C(=O)NCCCNCc1nnnn1C(C)C 1157869321 JPPLXOXXOFMGHM-LBPRGKRZSA-N 308.386 -0.112 30 20 DBED C#CCO[C@H](C)C(=O)NCCCN[C@H]1CCN(CC=C)C1=O 1157874557 SSNXWNFTXLTPMB-KGLIPLIRSA-N 307.394 -0.093 30 20 DBED C=C[C@](C)(CC)C(=O)NCCCNCC(=O)N1CCNC(=O)C1 1165928832 FMURBRVJCMETFS-MRXNPFEDSA-N 324.425 -0.357 30 20 DBED COCC#CCNCC1(CCNC(=O)[C@@H]2CCN(C)C2=O)CC1 1166716430 QJCQPPQEJMMWDE-AWEZNQCLSA-N 321.421 -0.009 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1scnc1COC 1167871705 QIFREEJRSUIPGU-UHFFFAOYSA-N 324.406 -0.252 30 20 DBED C#CCNC(=O)CNCCCC[C@H](C)NC(=O)c1[nH]nnc1C 1174616004 XTVUOIFHRSQTDO-NSHDSACASA-N 320.397 -0.259 30 20 DBED C#CCNCCCC[C@H](C)NC(=O)CNC(=O)Cn1cncn1 1176739565 WSJRLBMALCVMLN-ZDUSSCGKSA-N 320.397 -0.708 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2ccc(O)nn2)C1 1180788126 OTXCVWKMWMWKCM-WDEREUQCSA-N 317.349 -0.876 30 20 DBED C#CCNC(=O)CNC[C@@H]1CCN(C(=O)c2cnn[nH]2)C[C@H]1C 1184723370 IKMDLIPSFVMGJH-NEPJUHHUSA-N 318.381 -0.758 30 20 DBED C#CCNCc1cn([C@@H]2CCCN(C(=O)CC(N)=O)C2)nn1 1185898817 GZUWNRUDMXCWSG-GFCCVEGCSA-N 304.354 -0.960 30 20 DBED C[C@]1(C(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)CCCOC1 1186607582 AIHBYJUKBCBBHV-DOMZBBRYSA-N 308.382 -0.367 30 20 DBED C=CCOCC(=O)N1CC[C@H]2CN([C@@H](C)C(=O)NC(N)=O)C[C@H]21 1187281649 YSLSDLHBMMNSOX-SDDRHHMPSA-N 324.381 -0.695 30 20 DBED C=CCOCCN[C@@H]1CCN(C(=O)CC[C@@H]2NC(=O)NC2=O)C1 1187684502 NMINUDWEFWPCHA-NEPJUHHUSA-N 324.381 -0.632 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C[C@@H]2C=CCC2)C1 1190904965 NRMPBEIYKHQCDP-MGPQQGTHSA-N 305.378 -0.747 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2cc(C)c(C)o2)C1 1192214036 IEEDPKGUATUGQD-CHWSQXEVSA-N 319.361 -0.579 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2nccc(C)n2)C[C@H]1O 1192891008 FYQLVASEPFUANN-MGPQQGTHSA-N 318.377 -0.515 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C[C@@H]2C[C@H]2C2CC2)C1 1194832084 LILNZLXUDRCVBI-BYNSBNAKSA-N 321.421 -0.114 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)c2nnn(C)c2C)CC1 1195394574 RMZXUZHSUYKACL-UHFFFAOYSA-N 320.397 -0.426 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)CCCOC2CCOCC2)C1 1197666807 HXSLMXGBCIMZIR-ZIAGYGMSSA-N 311.382 -0.353 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)c2ccc(C(N)=O)[nH]2)CCCO1 1201419545 GABDZOBKTNIJHA-GFCCVEGCSA-N 318.377 -0.042 30 20 DBED C=CCCNC[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)CCCO1 1201649768 SJGAXJUOFSYHIM-GFCCVEGCSA-N 324.381 -0.679 30 20 DBED Cn1cnn(CCC(=O)N[C@H]2C[C@H](NCC#N)C23CCC3)c1=O 1203218393 BLXGUHQPXJLPLZ-RYUDHWBXSA-N 318.381 -0.488 30 20 DBED C=CCNC(=O)CNCC1CCN(C(=O)[C@@H](C)CC(N)=O)CC1 1205871790 ARWAUJNAPVKDQW-LBPRGKRZSA-N 324.425 -0.372 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)Cc2ccon2)C1 1207721751 GPSLEYQAWGNCRM-CYBMUJFWSA-N 304.350 -0.453 30 20 DBED CCOCC1(C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@H]2C)CC1 1207754615 ZYZQFBXCUXNWCA-CHWSQXEVSA-N 322.409 -0.121 30 20 DBED C=CCCN1C[C@@H](NC(=O)CCS(C)(=O)=O)[C@H](OC)C1 1212476956 LAFRFRPHLPZKAT-VXGBXAGGSA-N 304.412 -0.187 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)[C@@H]2CCC2(C)C)[C@H](OC)C1 1213297663 NJSWMEGUYGKUSJ-BFHYXJOUSA-N 321.421 -0.013 30 20 DBED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)C[C@H](C)C1CC1 1213940722 PDYMOGXOLXYLCX-IACUBPJLSA-N 322.409 -0.122 30 20 DBED CC(C)N(C)C(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)C#CC2CC2)C1 1219594115 AVULLWDEBHITFW-YUELXQCFSA-N 321.421 -0.184 30 20 DBED C#CCC1(C(=O)N[C@@H]2CN([C@@H]3CCN(C)C3=O)C[C@@H]2O)CCC1 1219785017 AIIHUAFIFBCNIQ-MCIONIFRSA-N 319.405 -0.428 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](NC(=O)CCCCNC(N)=O)C1 1219963539 UGDXGFDFQJSZNY-OLZOCXBDSA-N 312.414 -0.048 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)CCN2CCOCC2)C1 1220553381 HIVOIGCVSRHWTE-OLZOCXBDSA-N 317.817 -0.378 30 20 DBED C[C@H](C#N)C(=O)NCC1CCN(CCNS(C)(=O)=O)CC1 1222664058 LOYQUVQMEWIYRV-LLVKDONJSA-N 316.427 -0.477 30 20 DBED C=CCN1CC[C@H](N(C)CCCNC(=O)[C@H](C)NC(C)=O)C1=O 1233580689 RAQDHPVWXNMPRH-JSGCOSHPSA-N 324.425 -0.264 30 20 DBED C=CCNC(=O)[C@H](C)N1CC[C@@H]1CN(C)C(=O)C(C)(C)C(N)=O 1235589273 PPIPZWZULWIOSS-NWDGAFQWSA-N 324.425 -0.279 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC[C@@H](NC(=O)c2nonc2C)C1 1317956402 GCJXDMSYDUUXHY-NWDGAFQWSA-N 319.365 -0.290 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)CCc2cncnc2)C1 1318345445 RSPXLOCMYQQHGJ-CQSZACIVSA-N 317.393 -0.098 30 20 DBED Cc1cccc(=O)n1C[C@@](C)(O)C(=O)OCC(=O)NCC#N 1321549697 CQBQJZDJFYIMIY-CQSZACIVSA-N 307.306 -0.909 30 20 DBED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NCc1nnc(C)n1C 1322021543 SICTZPRICNNEAD-WCQYABFASA-N 321.381 -0.163 30 20 DBED N#CCNC(=O)CNC(=O)Cc1csc(N2CCCC2=O)n1 1322594924 KOGSMWBHLHRGQE-UHFFFAOYSA-N 321.362 -0.432 30 20 DBED C#C[C@@H](NC(=O)C(=O)NCCOC(F)(F)F)[C@@H]1CCCO1 1323495682 OCSSFUKMRFIENS-BDAKNGLRSA-N 308.256 -0.064 30 20 DBED CC#CCN(C)C(=O)C(=O)N1CC(=O)N(CC(F)(F)F)C1 1325122905 KBIJSRYBWOZWSX-UHFFFAOYSA-N 305.256 -0.341 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)c2nccnc2C(N)=O)C1=O 1325129785 FDRFDTSNRAAHKC-SECBINFHSA-N 303.322 -0.566 30 20 DBED N#Cc1ccc(NC(=O)C(=O)N2CCC(O)(CO)CC2)cc1F 1327294786 LKIZSGYZQBXVEZ-UHFFFAOYSA-N 321.308 -0.018 30 20 DBED CC(=O)N[C@H]1CCN(C(=O)C(=O)Nc2cccc(C#N)n2)C1 1328221941 BTZFQMXIPNYSAZ-NSHDSACASA-N 301.306 -0.371 30 20 DBED C#CCn1cc(CNC(=O)[C@@H](NC(=O)C2CC2)[C@H](C)O)cn1 1328677307 YWVOIGANQSOQEH-GWCFXTLKSA-N 304.350 -0.592 30 20 DBED C#CC1CCN(C(=O)C(=O)N[C@@H]2CCN(C(C)C)C2=O)CC1 1329346883 IHOCDOBAHZJZCS-CYBMUJFWSA-N 305.378 -0.016 30 20 DBED CC1(O)CCN(C(=O)C(=O)N2CCN(CCC#N)CC2)CC1 1330418101 MUTUTJMJBBIPNZ-UHFFFAOYSA-N 308.382 -0.582 30 20 DBED C=CCN(C(=O)C(=O)N[C@H]1CC(=O)N(C2CC2)C1)[C@H](C)COC 1334087608 ZVGBVOLWXAWXAE-NEPJUHHUSA-N 323.393 -0.085 30 20 DBED C#CCCCn1nnnc1N1CC[C@H](S(=O)(=O)NCC)C1 1334180929 YFOCXASPGXJAAN-NSHDSACASA-N 312.399 -0.396 30 20 DBED C=CCn1cc(Cn2nnnc2N2CCOC[C@H](C)C2)nn1 1335938968 IIEKLSQZYZGLKY-LLVKDONJSA-N 304.358 -0.028 30 20 DBED C#Cc1ccc(NC(=O)C(=O)NCCN2CCNC2=O)cc1 1338191413 LTSYCJGPFFCBHN-UHFFFAOYSA-N 300.318 -0.252 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N1CC[C@@H]2NC(=O)CC[C@@H]2C1 1346966762 IXIGYRJPOXOHMH-OLZOCXBDSA-N 323.393 -0.226 30 20 DBED COCC#CC(=O)N(CCCOC)[C@H]1CCS(=O)(=O)C1 1347380887 PMZQELBBCPYIMB-LBPRGKRZSA-N 303.380 -0.312 30 20 DBED N#Cc1cn(CC(=O)N[C@@H]2CC23CCOCC3)c(=O)nc1O 1362465383 YFMHVLPJNGWIIT-SNVBAGLBSA-N 304.306 -0.494 30 20 DBED C[C@H]1CN(C(=O)[C@@H](C)n2cnc(C#N)n2)C[C@@H](C)N1CCO 1362576814 YMCZAMISENMMOD-GRYCIOLGSA-N 306.370 -0.376 30 20 DBED Cn1cc(C(=O)N2CC[C@@](O)(CC#N)C2)c(=O)c2cnn(C)c21 1362831107 QKDUDZVCUYTNOQ-HNNXBMFYSA-N 315.333 -0.237 30 20 DBED C=C(Cl)CN1CC[C@H]1CNC(=O)CCS(=O)(=O)NC 1367938441 ILGHLBRXCFFRBK-JTQLQIEISA-N 309.819 -0.131 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(CC(=O)Nc2nccs2)C1 1380582272 SNAWKYISRJEHOK-SECBINFHSA-N 323.378 -0.596 30 20 DBED C[C@H](C#N)C(=O)N1CCN(CCNC(=O)[C@H]2CCCOC2)CC1 1396878529 OMESHPQGXWQJOJ-KGLIPLIRSA-N 322.409 -0.167 30 20 DBED C[C@H]1c2nncn2CCN1C(=O)NCCn1cnc(C#N)n1 1414633471 NUYUCFVRXRCJGS-VIFPVBQESA-N 301.314 -0.472 30 20 DBED C=C(Cl)CNC[C@H](O)CNC(=O)[C@H]1CCCCN1C(N)=O 1422393852 FEWXKJCFOIECHR-WDEREUQCSA-N 318.805 -0.261 30 20 DBED C[C@H](C#N)C(=O)N[C@H](CNC(=O)CCc1nc[nH]n1)C1CC1 1427892819 DLAREDKOLDAOMV-MWLCHTKSSA-N 304.354 -0.092 30 20 DBED CCN(CCNC(=O)[C@@H](C)C#N)C(=O)Cn1nnnc1C(C)C 1429680994 IBHDXDKMUQCAHU-NSHDSACASA-N 321.385 -0.079 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(CCNC(=O)c2cnn(C)c2)CC1 1429785860 NJALWWMDHOLPRX-LBPRGKRZSA-N 318.381 -0.546 30 20 DBED CN(CCNC(=O)c1cnc(O)n1C)C(=O)c1ccc(C#N)[nH]1 1431417185 ZGLHXIGXIPYDST-UHFFFAOYSA-N 316.321 -0.173 30 20 DBED Cn1c(=O)[nH]c(NCC(=O)NCC(F)(F)F)c(C#N)c1=O 1434440605 GARYTCWEWUJKJK-UHFFFAOYSA-N 305.216 -0.964 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CC(=O)N1CCOCC1)C1CC1 1437779483 UEVVYSYBCWQZKQ-LBPRGKRZSA-N 308.382 -0.415 30 20 DBED CCNC(=O)NC(=O)CN(C)CCNC(=O)c1cc(C#N)c[nH]1 1442378517 QIXVGWIHBVNBDU-UHFFFAOYSA-N 320.353 -0.606 30 20 DBED Cc1nn(C)c(C)c1C(=O)NC[C@H](O)CNC(=O)[C@H](C)C#N 1452406338 WKLKOBSLNQFSCA-LDYMZIIASA-N 307.354 -0.596 30 20 DBED CCN(CCNC(=O)c1ncn(C)n1)C(=O)c1cc(C#N)c[nH]1 1455575955 FLGMLKKOBODNQU-UHFFFAOYSA-N 315.337 -0.093 30 20 DBED COCC#CCN1CCC[C@H](NC(=O)c2nnc(O)nc2O)C1 1494319936 VARLQYGLMLGMJE-JTQLQIEISA-N 321.337 -0.873 30 20 DBED COC(=O)NCC(=O)N1CCC(CNC(=O)[C@H](C)C#N)CC1 1523266551 RGQQGMRLOJLWFU-SNVBAGLBSA-N 310.354 -0.143 30 20 DBED C#CCNC(=O)CNC[C@H](NC(=O)[C@@H]1CCCCN1C)C1CC1 1569307504 JICIGRBSGYGRLZ-GJZGRUSLSA-N 320.437 -0.296 30 20 DBED N#C[C@H]1CN(S(=O)(=O)N2CC[C@@H]3[C@H](C2)[C@@H]3C(=O)O)CCO1 1574241561 NUYVKQGYERNQPM-ZRUFSTJUSA-N 315.351 -0.892 30 20 DBED N#CC[C@]1(O)CCN(C(=O)c2cccn(CC(=O)O)c2=O)C1 1574481313 YVBHYCMWNHXBHN-AWEZNQCLSA-N 305.290 -0.576 30 20 DBED N#CCCCCNC(=O)NCC[C@@H]1CNCCS1(=O)=O 1580051188 APSJLINCPYLHBX-LLVKDONJSA-N 302.400 -0.244 30 20 DBED N#Cc1ccc(CC(=O)NCCn2cnc(-c3nn[nH]n3)n2)cn1 1581869192 MFLPLUUQZKWICC-UHFFFAOYSA-N 324.308 -0.916 30 20 DBED C#CCN(CC(=O)O)C(=O)c1ccc(C)c(S(N)(=O)=O)c1 1588415877 BYQAOMZVJWAPJF-UHFFFAOYSA-N 310.331 -0.198 30 20 DBED C#CCN(CC(=O)O)[C@H](C)C(=O)NC(=O)NCC(F)(F)F 1588419712 BTILHUAKAGLYLT-SSDOTTSWSA-N 309.244 -0.217 30 20 DBED CC(C)(C#N)CNC(=O)C1(C(=O)O)CCS(=O)(=O)CC1 1588607668 PNEVVMMRQFQPEJ-UHFFFAOYSA-N 302.352 -0.068 30 20 DBED C=CCN1CC[C@H](N2C(=O)N[C@@](C)(CCC(=O)O)C2=O)C1=O 1588838433 DVSFAVAVASWTBI-XPTSAGLGSA-N 309.322 -0.051 30 20 DBED C=CCN1CC[C@H](N(C)S(=O)(=O)CC2(C(=O)O)CC2)C1=O 1588839201 PSZQMHHPLMNCSV-JTQLQIEISA-N 316.379 -0.100 30 20 DBED C[C@@H]1CN(CCC(=O)O)CCN1C(=O)NCC#CCN(C)C 1594514577 AGTRNXLXGMCASV-CYBMUJFWSA-N 310.398 -0.258 30 20 DBED CN1CCN(S(=O)(=O)c2ccc(C#N)o2)C[C@@H](C(=O)O)C1 1598621401 PNMJNUKNAGUYKG-VIFPVBQESA-N 313.335 -0.212 30 20 DBED C[C@H]1CN(S(=O)(=O)N2CCO[C@@H](C#N)C2)C[C@]1(C)C(=O)O 1599930840 FDAKHHAFRBPOSM-NHCYSSNCSA-N 317.367 -0.502 30 20 DBED Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H](CO)C(=O)O 1600783096 DYXHJICDWWKZAO-GFCCVEGCSA-N 308.338 -0.092 30 20 DBED N#CCOc1ccc(NC(=O)C(=O)NCCOCC(=O)O)cc1 1601074216 NKAZEEAGXBDOES-UHFFFAOYSA-N 321.289 -0.255 30 20 DBED CN1C[C@H](C(=O)O)N(CC(=O)Nc2sccc2C#N)CC1=O 1606203737 NASMCDXFTNKAEH-SECBINFHSA-N 322.346 -0.215 30 20 DBED C[C@@H]1CN(c2nccnc2C#N)CCN1C[C@@](C)(O)C(=O)O 1609875838 RINJFGMEDYLQIG-QMTHXVAHSA-N 305.338 -0.306 30 20 DBED Cn1cc(S(=O)(=O)NCCn2cnc(C#N)c2C#N)cn1 1647143555 YYIOGPBTRMYAJE-UHFFFAOYSA-N 305.323 -0.662 30 20 DBED C=CCNC(=O)CN1CCC[C@@H](NC(=O)c2nonc2C)C1 1732091002 WMFXOMXEZMRTHH-LLVKDONJSA-N 307.354 -0.126 30 20 DBED C#CCCNCCNC(=O)[C@H]1CCCN(C(=O)c2cc[nH]n2)C1 1752923332 BSMXCQVILIDLDB-ZDUSSCGKSA-N 317.393 -0.009 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@@H](N(C)C(=O)c2ncn(C)n2)C1 1753435343 QOUZLTQXDIHHHZ-NWDGAFQWSA-N 318.381 -0.901 30 20 DBED C=CCn1cc(C(=O)NC[C@@H](CC)N[C@H]2CCCNC2=O)nn1 1753487548 IDVYCAMBJMCFDQ-NEPJUHHUSA-N 320.397 -0.159 30 20 DBED C#CCNC(=O)CNC[C@@](C)(NC(=O)[C@@H]1CCCO1)C1CC1 1753513691 UHPCLZZWFSQGSC-XJKSGUPXSA-N 307.394 -0.211 30 20 DBED N#CCNC(=O)CNC/C=C\CNC(=O)C1CC(F)(F)C1 1754107729 VFZVXKPCJQDXSV-UPHRSURJSA-N 300.309 -0.067 30 20 DBED COC[C@H](C)[C@H](C)C(=O)N(C)C1CN(CC(=O)NCC#N)C1 1754576703 WAORMPXTFLWORX-RYUDHWBXSA-N 310.398 -0.313 30 20 DBED C=CCNC(=O)[C@H](C)N1CC[C@@](C)(NC(=O)c2cn(C)nn2)C1 1754672990 RYARGOXZEAMTNM-XHDPSFHLSA-N 320.397 -0.300 30 20 DBED C#CCN[C@@H](C)[C@H]1CN(C(=O)c2cnc(N(C)C)cn2)CCO1 1755441286 DKEYTKYBXICSBD-GXTWGEPZSA-N 317.393 -0.005 30 20 DBED CC#CCN[C@@H](C)[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)CCO1 1755444998 LSJJNSGITUUEGM-AAEUAGOBSA-N 304.350 -0.388 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@@H](CNCCN1C(=O)CNC1=O)C1CC1 1755555126 HIZNNNQMPJXTMW-JQWIXIFHSA-N 321.381 -0.476 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)c2cc[n+]([O-])cc2)[C@H]1C 1755649722 YLNKFISEVZFQJZ-GXTWGEPZSA-N 318.377 -0.185 30 20 DBED C#CCNC(=O)CN[C@@H]1C[C@@H](C)N(C(=O)CCOCC#C)C1 1755679122 SDUWBTBYQNABOH-ZIAGYGMSSA-N 305.378 -0.645 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@H](CO)CNC(=O)C1=CCOCC1 1756513374 GEOVSQGQXMMYDS-SWLSCSKDSA-N 312.366 -0.747 30 20 DBED COc1nn(C)cc1C(=O)N[C@H](CO)CNC(=O)C#CC1CC1 1756519632 MJPXBINOIPPHAT-NSHDSACASA-N 320.349 -0.951 30 20 DBED C=CCCOCC(=O)N1C[C@H](O)[C@H](NC(=O)c2ccn(C)c2)C1 1757166042 LRSHIUHITFLLKK-KGLIPLIRSA-N 321.377 -0.081 30 20 DBED CN(C)CCN(CC(=O)O)S(=O)(=O)c1ccc(C#N)cn1 1777031950 BMPKERRPIARBKN-UHFFFAOYSA-N 312.351 -0.410 30 20 DBED C#CCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NNC(=O)C1 1798373869 CCXMVMXNEBXHLL-ZSBIGDGJSA-N 316.361 -0.086 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc(C)cn1)C2 1800451789 JDPLXDAXORLRQZ-YWVIFJGQSA-N 316.361 -0.586 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CC[C@@H](C)O1)C2 1800452218 BJPUFOZPOAEFGN-ZHZXCYKASA-N 306.362 -0.223 30 20 DBED C[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)C)C2 1800983917 AABKAHUSKHGBLY-HNCHTBHHSA-N 315.439 -0.544 30 20 DBED CCN(CCC#N)C(=O)CN1CCNC(=O)[C@@H]1CC(=O)OC 51794633 NCHLKOOMCHAONY-NSHDSACASA-N 310.354 -0.888 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@@H](CC)N(C)C)CC1 125134582 JHWVVZXGSYNSAJ-CQSZACIVSA-N 308.426 -0.390 30 20 DBED C=CCN(C)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 137467788 ODIRMMZUSGJSBE-IDTAVKCVSA-N 321.337 -0.940 30 20 DBED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC[C@H]2C(N)=O)CC1 245563235 PQXMHKIWGYCKLI-KBPBESRZSA-N 321.425 -0.372 30 20 DBED C/N=C(/NCc1cc(C)no1)N1CCN(C(C)(C)C(N)=O)CC1 261742493 MPSNBAYZAURGEL-UHFFFAOYSA-N 322.413 -0.060 30 20 DBED C/N=C(/NC[C@@H]1CN2CCN1CC2)NC1CCN(C(C)=O)CC1 262759338 COGQNTCNXBVLSL-OAHLLOKOSA-N 322.457 -0.838 30 20 DBED C#CCCN1CCN(CC(=O)NC(=O)N[C@@H](C)COC)CC1 271884473 ADSRAFFPKDFDCK-ZDUSSCGKSA-N 310.398 -0.512 30 20 DBED CC(C)N1CC[C@@H](/N=C(/O)CN2CCS(=O)(=O)CC2)C1=O 329714718 TZGRFUVHFVPTBP-LLVKDONJSA-N 317.411 -0.317 30 20 DBED CCN(C)C(=O)[C@H](C)/N=C(/O)N1CC(=O)N(CCOC)C1 330398806 QPBNDYRQKZSHKH-JTQLQIEISA-N 300.359 -0.485 30 20 DBED CC(C)NC(=O)CC/N=C(/O)N1CC[C@H](S(C)(=O)=O)C1 330404938 HMDNQXHGRIHFDY-JTQLQIEISA-N 305.400 -0.066 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)NCCN1CCCS1(=O)=O 330420056 QVCTZJCPUORHPG-SNVBAGLBSA-N 324.428 -0.910 30 20 DBED COCCN1CN(S(=O)(=O)N(C)[C@@H](C)CC#N)CC1=O 330426148 VUIHRUGJFBDZEE-JTQLQIEISA-N 304.372 -0.787 30 20 DBED Cc1ccn(C[C@@](C)(O)C(=O)N2CC(O)(CC#N)C2)c(=O)c1 332489573 SJIKDDMLGRBLDR-CQSZACIVSA-N 305.334 -0.605 30 20 DBED COC(=O)[C@@H](O)C(C)(C)NS(=O)(=O)N(C)C[C@H](C)C#N 332499330 ICRZPAHGQOPPSK-RKDXNWHRSA-N 307.372 -0.775 30 20 DBED Cc1onc(CC(=O)N(C)C[C@H](O)CN2CCOCC2)c1C#N 332557672 OHHOFNPQPHNCQY-LBPRGKRZSA-N 322.365 -0.451 30 20 DBED CCN(CCC#N)S(=O)(=O)N[C@@H](CO)c1cnn(C)c1 336934334 DRWXSTUTRIWDDX-NSHDSACASA-N 301.372 -0.477 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@@H](C(N)=O)C(C)(C)C 336947322 PCBWIVITVRSGKE-JTQLQIEISA-N 320.415 -0.417 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)NC[C@@H](O)C2CCCCC2)CCO1 337090712 KCCACNALHXAKEO-CHWSQXEVSA-N 317.411 -0.014 30 20 DBED COCCN1CN(C(=O)Nc2ccn(CCC#N)n2)CC1=O 338408871 FBAXLRKFAHNWPA-UHFFFAOYSA-N 306.326 0.077 30 20 DBED C=CCCOCCNS(=O)(=O)N1CCS(=O)(=O)CC1 339783717 NNDKQCFSRFFBBP-UHFFFAOYSA-N 312.413 -0.856 30 20 DBED N#CCCN(CCN1CCOCC1)CCN1C(=O)CNC1=O 357930603 OMJMAKVAMMMEAR-UHFFFAOYSA-N 309.370 -0.914 30 20 DBED N#Cc1ccc(NCC(=O)NCCN2CCNC(=O)C2)cc1 358530132 DXICQARUTWTBDE-UHFFFAOYSA-N 301.350 -0.482 30 20 DBED CS(=O)(=O)Nc1ccc(S(=O)(=O)NCC#N)c(F)c1 359496011 VMTKMJDPIMMSIG-UHFFFAOYSA-N 307.328 -0.001 30 20 DBED C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@H]1[C@H]3O 425902174 UTQXDJPLDLBFFW-IAAUBURFSA-N 320.389 -0.079 30 20 DBED CC(=O)N[C@@H](C)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 471674443 SEFGYSKNOOKZTB-NSHDSACASA-N 318.381 -0.227 30 20 DBED CO[C@@H]1CN(C(=O)C(=O)Nc2ccn(CCC#N)n2)C[C@H]1OC 488663245 QKBHGAVSEYKTGN-GHMZBOCLSA-N 321.337 -0.393 30 20 DBED C#CCNC(=O)CCN1CCC(C(=O)NCCN(C)C)CC1 491122000 SWLJPGCNWUIHGS-UHFFFAOYSA-N 308.426 -0.484 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CC[C@@H](S(=O)(=O)NC)C1 554519304 QFQPIHCNZQBCTK-SNVBAGLBSA-N 324.428 -0.910 30 20 DBED COC(=O)C(C)(C)CS(=O)(=O)N1CC[C@](O)(CC#N)C1 592078239 OIBIRLCLIHNCKJ-GFCCVEGCSA-N 304.368 -0.134 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)NCc1nc(C(N)=O)cs1 594864603 RZONJHUYGXAXEL-SSDOTTSWSA-N 317.396 -0.332 30 20 DBED COCCN(CC#N)C(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1 600005434 QFNSOFTUSCGOLE-LLVKDONJSA-N 305.338 -0.228 30 20 DBED CC(C)[C@@](C)(C#N)NC(=O)COC(=O)C1CC(=O)NC(=O)C1 726820099 CCTPISBAAGRYEN-CQSZACIVSA-N 309.322 -0.363 30 20 DBED CNC(=O)CNC(=S)NN=C1CCN(c2cnccn2)CC1 731930068 ZPQIEZIZCCIHRU-UHFFFAOYSA-N 321.410 -0.357 30 20 DBED Cn1cc(C[C@H]2CC(=O)N(CN3CCOC[C@H]3C#N)C2=O)cn1 746380995 ULIXXIACUQTJMF-QWHCGFSZSA-N 317.349 -0.480 30 20 DBED CC[C@@]1(c2cnn(C)c2)NC(=O)N(CC(=O)NCCC#N)C1=O 755856558 JHNWLMNUTZHKEU-AWEZNQCLSA-N 318.337 -0.393 30 20 DBED C#CCOCCNC(=O)C(=O)Nc1ccc(OCCOC)nc1 785152685 LWDPSPVQGMDSEP-UHFFFAOYSA-N 321.333 -0.189 30 20 DBED C=CCS(=O)(=O)CCNS(=O)(=O)N(CC)C[C@H](C)C#N 800107330 OTCSKOBAEPJFOK-LLVKDONJSA-N 323.440 -0.097 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CC[C@@]2(CCOC2)C1)[C@H]1CCCO1 809313218 RXVGAYFDLXKKSN-WOSRLPQWSA-N 306.362 -0.078 30 20 DBED C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NCC#CCO)C1=O 819692125 GWMLASGREHFHOP-INIZCTEOSA-N 315.329 -0.435 30 20 DBED C#CCOCCNC(=O)[C@@H]1CS(=O)(=O)C[C@H]1C(F)(F)F 821881304 JMKGWBIFGIBRHG-RKDXNWHRSA-N 313.297 -0.025 30 20 DBED C#CCNC(=S)NCCCc1[nH]nc(N)c1-c1nn[nH]n1 823850289 MUCBKDIKXLEUBG-UHFFFAOYSA-N 305.371 -0.798 30 20 DBED N#Cc1nc(N)n(CCNC(=O)C2CCCC2)c1-c1nn[nH]n1 826387715 MXCXCWVSTGRKPY-UHFFFAOYSA-N 315.341 -0.177 30 20 DBED CC1CC(C#N)(C(=O)NN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C=C[C@H]3O2)C1 828668012 CPMBFXVPKUGJAR-LXFNJIGZSA-N 301.302 -0.104 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](C)SC)CC1 831556864 WSWWOKNKMMAXDA-SNVBAGLBSA-N 305.425 -0.650 30 20 DBED CN(C)CCN1C(=O)C(=NNC2=NCCN2)c2ccccc21 841658944 GDSUJZUYSMIFLU-UHFFFAOYSA-N 300.366 -0.152 30 20 DBED COC(=O)COc1ccc(S(=O)(=O)O[C@H]2CNOC2)cc1 845930924 JKQKMQWTFRRXBC-JTQLQIEISA-N 317.319 -0.153 30 20 DBED CNC(=O)CNC(=S)NN=Cc1cc(C(F)(F)F)nn1C 853306568 ZRKQQNQLHRVXJG-UHFFFAOYSA-N 322.316 -0.017 30 20 DBED C#CC[C@H](CO)NC(=O)[C@H](C)[C@@H](C)C(=O)N[C@@H](CO)CC#C 854541819 JKACAKAQERCPOZ-AAVRWANBSA-N 308.378 -0.741 30 20 DBED C#CCN1CCC[C@H](NC(=S)NCCS(C)(=O)=O)C1 905571129 NOQUKPFDYHIGBK-NSHDSACASA-N 303.453 -0.407 30 20 DBED C=CCNC(=S)N1CCN(C(=O)C(=O)N2CCCC2)CC1 916023937 VRSBUELRLDGRSS-UHFFFAOYSA-N 310.423 -0.187 30 20 DBED CN1C[C@H](C(=O)N(C)[C@H]2CCN(C(=O)C#CC3CC3)C2)CC1=O 937349474 HEKCELMEQQPCCV-KGLIPLIRSA-N 317.389 -0.063 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](N(C)C(=O)c2cc(C(N)=O)c[nH]2)C1 939398730 ZJGLCZRYCQHTDS-ONGXEEELSA-N 317.349 -0.054 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(CCN(C(=O)C(N)=O)CC2)C1 945031401 KUFQJWYFTGOOLD-NEPJUHHUSA-N 321.377 -0.486 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2nnc(O)nc2O)C[C@@H]1C 947502024 IHMRYBZHXTVLOA-VHSXEESVSA-N 305.338 -0.111 30 20 DBED C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1NC(=O)c1cnn[nH]1 948207094 CPIHQPHGULGZOA-PRHODGIISA-N 313.321 -0.105 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@H]2CNC(=O)[C@H]2COC(=O)N2)c1 949690312 NUBSPVXDSJORLM-GXSJLCMTSA-N 317.305 -0.675 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)CC(C)(C)O 950755357 KCNDPZIRJLPRKC-KBPBESRZSA-N 321.421 -0.038 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(CC)C1CN(Cc2nnnn2C)C1 951770918 RPVJAWVQQKJMNT-OLZOCXBDSA-N 320.397 -0.166 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H](NC(=O)CN2CCCC2=O)C1 951865719 XUZVKKJQEXLHRZ-NWDGAFQWSA-N 306.366 -0.124 30 20 DBED C=C(Cl)CN1CCN(C(=O)CN2CC(=O)N(C)C2=O)CC1 957310911 CDGHYNLUAHJPLQ-UHFFFAOYSA-N 314.773 -0.223 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@@H](CNC(=O)c2cc(=O)n(C)o2)C1 958020475 PPYYMUVWRIQBIJ-VHSXEESVSA-N 315.757 -0.247 30 20 DBED Cn1ncc2cc(C(=O)NC[C@@H]3CN(CC#N)C[C@@H]3O)cnc21 958525444 IBHNOXYZKWVUDN-OLZOCXBDSA-N 314.349 -0.486 30 20 DBED N#CCN1C[C@H](CNC(=O)c2cnn3c2CCCC3)[C@@H](O)C1 958558343 GPSVYOKOALDVOK-FZMZJTMJSA-N 303.366 -0.235 30 20 DBED CC#CCN1C[C@H](CNC(=O)C2CCN(C(N)=O)CC2)[C@@H](O)C1 958656889 AMAUIKHABFIBPG-KBPBESRZSA-N 322.409 -0.791 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1ncc[nH]1 960344929 ZJAHEXPEWNHHOP-OUAUKWLOSA-N 303.322 -0.379 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CN(C(=O)[C@H](C)n3cncn3)C[C@H]2C1 961408157 PQGWKQWLHUCATN-ZDEQEGDKSA-N 316.365 -0.084 30 20 DBED C[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)Cn1cncn1 966407219 HQJAOMRIHXSAPY-WCQYABFASA-N 301.350 -0.345 30 20 DBED C=C[C@H](C(=O)N1C[C@H](O)[C@H](NC(=O)C(N)=O)C1)c1ccccc1 970208833 YAIJNJGYPJIJEB-XQQFMLRXSA-N 317.345 -0.871 30 20 DBED CC#CCN1CC([C@@H](C)NC(=O)c2cn(C)c(=O)nc2O)C1 970869451 PSSADDHWELYZHE-SNVBAGLBSA-N 304.350 -0.441 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)COc3cnn(C)c3)C2)C1 972524624 UJMGZXGHDLYQLB-MRXNPFEDSA-N 318.377 -0.265 30 20 DBED N#Cc1cc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c[nH]1 974049436 OHZRRPIVJRUACB-RBLKWDMZSA-N 317.305 -0.071 30 20 DBED CC1(C)NC(=O)N(CC(=O)N[C@H]2CCC[C@H](NCC#N)C2)C1=O 981503277 SBBDLGFLWHTSHO-QWRGUYRKSA-N 321.381 -0.143 30 20 DBED C=C(Cl)CN1CCCN(C(=O)CN2CCNC(=O)C2)CC1 981741403 ZPDYLCHKANWKAZ-UHFFFAOYSA-N 314.817 -0.295 30 20 DBED Cc1c(C(=O)NC[C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)nnn1C 983209190 CZAIZXUUOFUKMU-ONGXEEELSA-N 304.354 -0.139 30 20 DBED CN(C(=O)C(N)=O)[C@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1 984091165 BHVBDPZKCBSMPC-JTQLQIEISA-N 303.322 -0.565 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@@H]1CCCN(C(=O)C(N)=O)C1 984578979 PXJHYAJCEADPNK-AGIUHOORSA-N 323.393 -0.098 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](CN(C)C(=O)c2cnn(C)n2)C1 988284292 JNMYVRPQDLHACB-WDEREUQCSA-N 304.354 -0.105 30 20 DBED N#Cc1ccc(C(=O)NC2CN(C(=O)[C@@H]3CC[C@H]3C(N)=O)C2)[nH]1 990868073 IMUKHEXUPPWOSM-GHMZBOCLSA-N 315.333 -0.662 30 20 DBED N#Cc1cc(C(=O)NC2CN(C(=O)[C@H]3CCC(=O)N3)C2)c[nH]1 990919595 GRRMIRIQLUAYDL-LLVKDONJSA-N 301.306 -0.894 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CN(C(=O)c2ncn(C)n2)C1 992027409 OFDBSPFYLCMHFX-RYUDHWBXSA-N 319.365 -0.263 30 20 DBED N#CCN1CC[C@@]2(NC(=O)[C@@H]3CC(=O)NC(=O)N3)CCC[C@@H]12 992254378 APDACDVKZMKAOQ-RBZYPMLTSA-N 305.338 -0.779 30 20 DBED N#Cc1ccc(C(=O)NCC2CN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C2)[nH]1 1001464079 UPOJYYFWLQKJFF-IMRBUKKESA-N 314.345 -0.033 30 20 DBED N#Cc1cc(C(=O)N2CC(CNC(=O)[C@H]3COC(=O)N3)C2)c[nH]1 1001669112 JZVOEANZWSQWAC-LLVKDONJSA-N 317.305 -0.817 30 20 DBED C[C@@H](C#N)C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cn1ncnn1 1002926560 JGXIWORWIRYVJD-ZDCRXTMVSA-N 303.326 -0.919 30 20 DBED C[C@@H](C#N)C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1nnn(C)n1 1005172139 BJMHYFCOHMFEPN-JLIMGVALSA-N 303.326 -0.769 30 20 DBED C#CCOc1ccc(C(=O)N2CCN(C(=O)C(N)=O)CC2)cc1 1011153905 AKRCUZJBBYCIKL-UHFFFAOYSA-N 315.329 -0.532 30 20 DBED C#Cc1cncc(C(=O)N2CC[C@@H](NC(=O)C(N)=O)[C@H]2C)c1 1012053692 ZNAGZJBEFGNYHY-BXKDBHETSA-N 300.318 -0.733 30 20 DBED C[C@@H]1C[C@@H](NC(=O)C2CS(=O)(=O)C2)CN1C(=O)C#CC1CC1 1012590094 IFAUUNFLFOPEGY-ZWNOBZJWSA-N 324.402 -0.450 30 20 DBED C[C@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCCN1C(=O)CC(N)=O 1014878961 QGQOROZGFCZIDS-ONGXEEELSA-N 317.349 -0.129 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)[C@H]2CCN(C)S2(=O)=O)C1 1015825820 SEEWKBRFFGKRJK-VXGBXAGGSA-N 301.412 -0.213 30 20 DBED O=C(C#CC1CC1)N1CCC2(C1)CN(C(=O)Cn1cncn1)C2 1019461674 CNEUNJCZMGKRCE-UHFFFAOYSA-N 313.361 -0.248 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CCN(C(=O)CN3CCCC3=O)[C@@H]2C1 1021043664 LQCAREPKPVYCNH-FRRDWIJNSA-N 318.377 -0.172 30 20 DBED O=C(N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O)c1ccnc(O)c1 1023375178 HZVVUJNKEVVSMO-CHWSQXEVSA-N 315.329 -0.498 30 20 DBED Cn1cc(C(=O)N2C[C@H]3[C@@H](NCC#N)CC[C@H]3C2)n(C)c1=O 1026429079 QZVRUPOUWSGVKN-TUAOUCFPSA-N 303.366 -0.312 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H](N(C)Cc2nc(=O)n(C)[nH]2)C1 1027336893 VPNOZAQUUNWLTK-MNOVXSKESA-N 306.370 -0.309 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCCN([C@@H](C)C(=O)NC)C1 1030024737 QXUWOULZFDMJDN-ZNMIVQPWSA-N 320.437 -0.201 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)[C@@H]2CCc3nc[nH]c3C2)C1 1035575111 PUNKJBCBIVOPKK-OLZOCXBDSA-N 302.378 -0.035 30 20 DBED C=CCn1cc(C(=O)N2CC[C@@H](NCC(N)=O)[C@@H](C)C2)nn1 1036219583 PSIVESPJXYIBKF-WDEREUQCSA-N 306.370 -0.610 30 20 DBED N#CCN1CC[C@H]2CN(C(=O)CN3CCC(=O)NC3=O)CC[C@H]21 1036865736 RRJMCEVRDLZQPO-NWDGAFQWSA-N 319.365 -0.625 30 20 DBED CN1C(=O)CN(CC(=O)N2CC[C@H]3[C@@H](CCN3CC#N)C2)C1=O 1036868633 PWTQIOZQIXLHKW-RYUDHWBXSA-N 319.365 -0.673 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@]1(O)CCN(C(=O)CCCF)C1 1039724781 BECDKWRWEOLBPJ-SWLSCSKDSA-N 314.357 -0.146 30 20 DBED Cc1nonc1C(=O)NC[C@]1(O)CCN(C(=O)C#CC(C)C)C1 1040221302 SHKPGYXYTSFWGQ-OAHLLOKOSA-N 320.349 -0.269 30 20 DBED C[C@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)Cc2cncn2C)C1 1040760151 MNTOYTOUWQHKEV-IAQYHMDHSA-N 319.365 -0.798 30 20 DBED C[C@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)c2cncnc2)C1 1040760167 FYERPITXLQOERN-QMTHXVAHSA-N 303.322 -0.671 30 20 DBED C=C(C)CCC(=O)N1CC[C@](O)(CNC(=O)Cn2cncn2)C1 1040963172 UBDMDQGIIKVCBS-HNNXBMFYSA-N 321.381 -0.286 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CN(c3ncccn3)C[C@H]2O)nn1 1041376966 CGUBNURWUDVEPB-ZYHUDNBSSA-N 315.337 -0.766 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(O)CN(C(=O)c2cnccn2)C1 1042809727 QRIUVHASDPGXLG-AWEZNQCLSA-N 320.349 -0.893 30 20 DBED Cc1nnc(CC(=O)NCC2(O)CN(C(=O)C#CC3CC3)C2)o1 1042886867 LFRIHRMLIPOFMV-UHFFFAOYSA-N 318.333 -0.977 30 20 DBED O=C(C#CC1CC1)NCC1(O)CN(C(=O)c2cscn2)C1 1042957876 AVEOWVVCVSLHEY-UHFFFAOYSA-N 305.359 -0.140 30 20 DBED COCCO[C@H](C)C(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042963124 HQXPNZQMFMMODO-GFCCVEGCSA-N 324.377 -0.859 30 20 DBED C=C(C)CCC(=O)NCC1(O)CN(C(=O)C[C@H]2CCC(=O)N2)C1 1043310094 CGMPZHDDMRTGFQ-GFCCVEGCSA-N 323.393 -0.299 30 20 DBED C=CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)Cc2cnc[nH]2)C1 1043573770 AVDRFIOTUQGHOM-NSHDSACASA-N 322.365 -0.767 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)[C@@H]3CCCO3)C2)cn1 1043848248 OHIXAYOIPYIKFD-RDBSUJKOSA-N 302.334 -0.202 30 20 DBED Cc1ccc(C#N)c(N2C[C@H](O)[C@H](NC(=O)c3cc[nH]n3)C2)n1 1043861599 LXJWRGQRLKVNJK-OLZOCXBDSA-N 312.333 -0.036 30 20 DBED Cc1n[nH]c(C)c1C(=O)NCC1(O)CN(C(=O)C#CC(C)C)C1 1044720502 OKHDAEZAVWTUBX-UHFFFAOYSA-N 318.377 -0.011 30 20 DBED C=CCN1CC[C@@H](N2CCN(C(=O)C[C@H]3CCNC3=O)CC2)C1 1046035190 GNSAKEDWXGSTRU-HUUCEWRRSA-N 320.437 -0.083 30 20 DBED C#CCN1C[C@H]2C[C@H](NC(=O)Cn3c(O)nnc3O)C[C@H]1C2 1047191475 RCJUAORNMGYUQF-GARJFASQSA-N 305.338 -0.708 30 20 DBED Cc1ncc(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)C#N)C2)[nH]1 1049389518 YNMVJGNWJAXCKL-ZHAHWJHGSA-N 305.338 -0.479 30 20 DBED C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1ncn(C)c1=O 1049562762 XZMISYZAOVNCHE-CHWSQXEVSA-N 305.382 -0.167 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)[C@H]1CCCN(C(C)=O)C1 1051008350 VGWWMBDJQCAKNK-GJZGRUSLSA-N 307.394 -0.305 30 20 DBED C=CCN1CCOC[C@@H]1CNC(=O)[C@H]1CCc2nnnn2CC1 1051124605 JCEOCFFGLIOFMX-STQMWFEESA-N 320.397 -0.371 30 20 DBED C#CCN1CCN([C@H]2CCN(C(=O)c3ncn(C)n3)C2)CC1 1052023562 UDGWWJPWDIJCEG-ZDUSSCGKSA-N 302.382 -0.720 30 20 DBED CN1CCN(CC(=O)N[C@@H]2CCCN(CC#N)CC2)CC1=O 1052501782 GDELKJRQDAGRJZ-CYBMUJFWSA-N 307.398 -0.745 30 20 DBED CN1CC(=O)N(CC(=O)N[C@H]2CCCN(CC#N)CC2)C1=O 1052919240 ITHYHNWMMSJWDB-NSHDSACASA-N 307.354 -0.625 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)Cc2nc[nH]n2)C[C@H]1C 1053480184 VNBNRPXKPFDONL-NEPJUHHUSA-N 321.381 -0.240 30 20 DBED C=CCN1CC2(C[C@H](NC(=O)CN3C(=O)CN(C)C3=O)CO2)C1 1054003248 QGAJOLRJLKQHMP-NSHDSACASA-N 322.365 -0.974 30 20 DBED C=C[C@](C)(O)CC(=O)N1C[C@H]2CN(C(=O)CC(N)=O)C[C@H]2C1 1055263673 LVYFXCSKIFKEMF-RWSFTLGLSA-N 309.366 -0.894 30 20 DBED CCn1cc(C(=O)N2CCN(c3ccc(C#N)nn3)CC2)nn1 1055885970 LCRCCUZZWWOHBJ-UHFFFAOYSA-N 312.337 -0.078 30 20 DBED C=CCn1cc(C(=O)N[C@]2(CO)CCCN(C(=O)CC)C2)nn1 1055951565 UXADWSHRZBYIOP-OAHLLOKOSA-N 321.381 -0.043 30 20 DBED N#Cc1cncc(N2C[C@@H]3C(NC(=O)c4cncnc4O)[C@H]3C2)n1 1056329704 ANWQJOWMFRTKRV-QWRGUYRKSA-N 323.316 -0.292 30 20 DBED C=CCCOCC(=O)N1C[C@@H]2CCCN(C(=O)CC(N)=O)[C@@H]2C1 1056635681 GHXWOHBVXKWKRG-QWHCGFSZSA-N 323.393 -0.096 30 20 DBED COC[C@H](C)C(=O)N(CCO)CCNC(=O)c1cc(C#N)c[nH]1 1057189237 MSYJCZHZYKETCK-NSHDSACASA-N 322.365 -0.280 30 20 DBED C=C[C@](C)(O)CC(=O)N(CCO)CCNC(=O)[C@H](C)OC 1057449582 FBGDYRORQKISIQ-FZMZJTMJSA-N 302.371 -0.715 30 20 DBED O=C(NCCN(CCO)C(=O)C#CC1CC1)c1cnsn1 1057531059 DFGZABVPQFBRTO-UHFFFAOYSA-N 308.363 -0.498 30 20 DBED CCn1nncc1C(=O)NCCN(CCO)C(=O)C#CC1CC1 1057531383 LZXJPDLZTYVLDS-UHFFFAOYSA-N 319.365 -0.738 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)C[C@H](C)NC(N)=O 1057591867 MGWFOMJVCMIHEX-NSHDSACASA-N 314.386 -0.663 30 20 DBED Cc1nonc1CC(=O)N[C@H]1CCN(c2cncc(C#N)n2)C1 1058430575 YBHXNADFTVREME-JTQLQIEISA-N 313.321 -0.023 30 20 DBED N#Cc1ccc(N2CC[C@@H](NC(=O)[C@@H]3CNC(=O)N3)C2)cn1 1058531701 WISFLBNHIZALFW-PWSUYJOCSA-N 300.322 -0.670 30 20 DBED C[C@H](C#N)C(=O)NCC[C@H]1CCN(C(=O)Cn2ncnn2)C1 1059695204 IHEJJRJHJIZHOB-MNOVXSKESA-N 305.342 -0.812 30 20 DBED C=CCCO[C@H](C)C(=O)NC[C@@H]1COCCN1C(=O)COC 1061393614 KMHCQDOJFHXXDZ-CHWSQXEVSA-N 314.382 -0.042 30 20 DBED Cn1nncc1C(=O)NC1(CNC(=O)CSCC#N)CCC1 1062579209 JXXISCOVMCGILW-UHFFFAOYSA-N 322.394 -0.159 30 20 DBED O=C(C#CC1CC1)NC1(CNC(=O)Cn2ncnn2)CCC1 1063146776 OSJLCAKYRPDQBR-UHFFFAOYSA-N 302.338 -0.758 30 20 DBED N#Cc1cncc(N2CCO[C@H](CNC(=O)c3cn[nH]c3)C2)n1 1063609506 LLLOARNEXPOVRJ-GFCCVEGCSA-N 313.321 -0.293 30 20 DBED CC[C@@H]1CN(C(=O)C(N)=O)CC[C@@H]1Nc1cncc(C#N)n1 1064413698 YYBAGCCCTVTVRF-KOLCDFICSA-N 302.338 -0.127 30 20 DBED N#Cc1nccc(N2CCC3(CCN(C(=O)C(N)=O)C3)CC2)n1 1064588039 WFKUFGRBKNJQMA-UHFFFAOYSA-N 314.349 -0.348 30 20 DBED N#Cc1nccc(N2CC[C@H]3CCN(C(=O)CC(N)=O)C[C@@H]32)n1 1064674581 ICZHYOJSTZWTMT-MNOVXSKESA-N 314.349 -0.349 30 20 DBED C#CCCCCC(=O)N1CCO[C@H](CNC(=O)CC(N)=O)C1 1065060931 GFXSKHVBLXPKHG-GFCCVEGCSA-N 309.366 -0.601 30 20 DBED C[C@@]1(NC(=O)[C@@H]2CCC(=O)N2)CCN(c2ccnc(C#N)n2)C1 1065269468 OYRRJNCUEAEMHG-ZUZCIYMTSA-N 314.349 -0.288 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@H]1CN(C(=O)c2cnn[nH]2)CCO1 1065326689 QSOBPERBKDGANX-HZMBPMFUSA-N 323.353 -0.911 30 20 DBED N#Cc1cncc(N2CCOC[C@@H]2CNC(=O)[C@H]2CCOC2)n1 1066470085 KJPGKPLUNBCPQF-AAEUAGOBSA-N 317.349 -0.294 30 20 DBED COCC(=O)N1CCC(O)(CNc2cncc(C#N)n2)CC1 1067462619 HXTKVVRSEBCLOD-UHFFFAOYSA-N 305.338 -0.240 30 20 DBED Cc1nn[nH]c1C(=O)NCC1[C@@H]2CN(c3ccc(C#N)nn3)C[C@@H]12 1068192996 UFQZOFKRFRTEBF-RYUDHWBXSA-N 324.348 -0.113 30 20 DBED C#CCCCCC(=O)N1CC2(C1)CN(C(=O)C(N)=O)CCO2 1068448620 PIHBWHRQJUSELR-UHFFFAOYSA-N 307.350 -0.895 30 20 DBED C#CCCCC(=O)NC[C@H]1CCC2(CN(C(=O)CC(N)=O)C2)O1 1068563245 NLYBYAMCAMCMKU-GFCCVEGCSA-N 321.377 -0.459 30 20 DBED C=C(C)C[C@H](C)C(=O)N1CC2(C[C@H](NC(=O)CC(N)=O)CO2)C1 1068781891 GNTAQCHMRVXDPN-RYUDHWBXSA-N 323.393 -0.050 30 20 DBED CCc1n[nH]cc1C(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1 1069966905 BANWJFQPJIQCFZ-OLZOCXBDSA-N 314.353 -0.258 30 20 DBED C=CCCOCC(=O)N1CCC[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1 1070902690 PPKYOWDLQOPQTA-VXGBXAGGSA-N 324.381 -0.632 30 20 DBED N#CCN1CCNC(=O)CCN(C(=O)C[C@H]2COC(=O)C2)CC1 1070956473 PDSXKMYTNGENIJ-GFCCVEGCSA-N 322.365 -0.886 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CN(C(=O)C2(C)CC2)C[C@H]1C 1072250425 QTKUKHRIIPRCTH-NEPJUHHUSA-N 305.378 -0.111 30 20 DBED Cn1cc(C(=O)N2CC[C@H]3OCCN(CC#N)[C@@H]3C2)ncc1=O 1074302118 LLPNBAFUKBYYFZ-CHWSQXEVSA-N 317.349 -0.781 30 20 DBED C[C@@H](CCNC(=O)c1cc(C#N)c[nH]1)NC(=O)Cn1nccn1 1076073927 HCHNNZSXWQOVGV-JTQLQIEISA-N 315.337 -0.197 30 20 DBED C[C@@H](CCNC(=O)C1CC(=O)NC(=O)C1)NC(=O)[C@H](C)C#N 1077383257 USBKJVQPESNGIR-BDAKNGLRSA-N 308.338 -0.790 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CCCN(C(=O)CNC(N)=O)CC1 1079059217 NCMLGBKAYVZDGE-MNOVXSKESA-N 309.370 -0.346 30 20 DBED C=CCCC(=O)N1C[C@H](CNC(=O)CNC(=O)OC)[C@@H](O)C1 1081305201 NFBCCXWHCZEGMG-QWRGUYRKSA-N 313.354 -0.756 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)c2[nH]nnc2C)C[C@H]1O 1081332456 GJBCUWGGULDBKE-WDEREUQCSA-N 307.354 -0.372 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)Cc2nc[nH]n2)C[C@@H]1O 1081335692 NYVSXWIAYWQXJH-MNOVXSKESA-N 307.354 -0.751 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2cnccn2)C[C@@H]1O 1081343884 JDXVFAFZZXESAJ-AAEUAGOBSA-N 320.349 -0.772 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2ccccn2)C[C@H]1O 1081344471 QICISKAZTSJTRZ-TZMCWYRMSA-N 319.361 -0.167 30 20 DBED CC(C)(O)CC(=O)NC[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 1081448160 WWKZCVMUXHLRMF-STQMWFEESA-N 308.378 -0.504 30 20 DBED C=CCCOCC(=O)NC[C@@H]1CN(C(=O)C(F)F)C[C@@H]1O 1081570236 ZRPHUUSGYQQCMJ-ZJUUUORDSA-N 306.309 -0.220 30 20 DBED C=CCCCC(=O)NC[C@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1O 1081704383 CHVLLVVIFHBCFZ-QWRGUYRKSA-N 307.354 -0.290 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CCN1CCOCC1 1083224924 WZZKHUKSTGTYRX-LSDHHAIUSA-N 307.394 -0.747 30 20 DBED C#Cc1ccc(C(=O)N2CCO[C@@H]3CN(C[C@H](C)O)C[C@@H]32)nc1 1083251968 QQIAWKJBDKRFQM-VBNZEHGJSA-N 315.373 -0.031 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)C(=O)N2CCC[C@H](C)C2)C1 1083838477 XIVZPJNKPZQKKJ-MJBXVCDLSA-N 307.394 -0.571 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)C(=O)N2CCC[C@@H]2CC)C1 1083929858 OGRHVQAXYYHVLE-MJBXVCDLSA-N 307.394 -0.428 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)c2ccc3c(c2)C(=O)NC3=O)C1 1083969142 WMFFWOCUJUEDSK-OLZOCXBDSA-N 315.329 -0.469 30 20 DBED C#CCN[C@H]1C[C@H](CNC(=O)c2ccc(=O)n(CCOC)n2)C1 1086422477 HSZRWDLBLCCHDS-JOCQHMNTSA-N 318.377 -0.379 30 20 DBED Cn1c(O)ncc(C(=O)NC[C@H]2CC[C@@H](NCC#N)C2)c1=O 1086774724 AXXFKILTYZIFMW-VHSXEESVSA-N 305.338 -0.502 30 20 DBED C#CCN[C@@H]1CCCCCN(C(=O)c2cn(CC(N)=O)nn2)C1 1088430609 UBKZWUIOXYJRBX-GFCCVEGCSA-N 318.381 -0.629 30 20 DBED C[C@@H](C[C@@H](C)N=c1cc[nH]c(C#N)n1)NC(=O)c1cnnn1C 1089292909 SYLSHHVSPPCQLO-ZJUUUORDSA-N 314.353 -0.092 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2cnc3[nH]nnc3c2)[C@H](O)C1 1090326561 JVHJOXCGPSSZMR-DGCLKSJQSA-N 314.349 -0.459 30 20 DBED C=CCCN1CC[C@H](NC(=O)c2cc(C(N)=O)cn2C)[C@H](O)C1 1090398933 JWFJLIHBAIUNGU-GXTWGEPZSA-N 320.393 -0.135 30 20 DBED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C2)cc1 1090535985 YOBLDULEDTXCBX-OLZOCXBDSA-N 302.334 -0.905 30 20 DBED COCC1(C(=O)N[C@@H]2CN(c3nccnc3C#N)C[C@@H]2O)CC1 1091162636 YJJVXFDSVJQSEV-NEPJUHHUSA-N 317.349 -0.559 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)[C@H]3COC(=O)N3)c3nccn32)C1 1092365284 GNWMPWDMJXCPFD-WDEREUQCSA-N 315.333 -0.803 30 20 DBED COC[C@@H](OC)C(=O)N1CCN(c2ccc(C#N)nn2)CC1 1093193599 RFSNWTJREMVMBA-GFCCVEGCSA-N 305.338 -0.342 30 20 DBED Cc1cc(=NCCNC(=O)[C@@]2(C)CCNC2=O)c(C#N)c[nH]1 1094135622 YZKAXNBAYSLTMS-HNNXBMFYSA-N 301.350 -0.262 30 20 DBED N#Cc1cnc(NCCNC(=O)c2cn3c(n2)COCC3)cn1 1094229795 JVLQIINDMCGTBA-UHFFFAOYSA-N 313.321 -0.083 30 20 DBED N#Cc1ccc(C(=O)NCCCNc2nccn3nnnc23)[nH]1 1094369097 JZPIBSAEUBHBGF-UHFFFAOYSA-N 311.309 -0.049 30 20 DBED N#Cc1ccc(NCCCNC(=O)c2nnc(O)nc2O)nn1 1094887888 GPXAAENIUQWGPZ-UHFFFAOYSA-N 316.281 -0.824 30 20 DBED Cn1nnc(C(=O)NC[C@H](Nc2cncc(C#N)n2)C2CC2)n1 1096787288 AEALUHYJKNDINF-JTQLQIEISA-N 313.325 -0.508 30 20 DBED Cc1cc(=N[C@H](C)CNC(=O)[C@@H]2CN(C)CCO2)c(C#N)c[nH]1 1097768009 FSVCOZKNZOXBLL-DOMZBBRYSA-N 317.393 -0.069 30 20 DBED CNS(=O)(=O)CC(=O)NC[C@H](C)Nc1ncccc1C#N 1097862948 HYFZEEMDXITUNK-VIFPVBQESA-N 311.367 -0.581 30 20 DBED C[C@@H](CNC(=O)C(=O)N1CC[C@@H](C)C1)N=c1cc[nH]c(C#N)n1 1098039381 JDNWTTFYFSQPIB-MNOVXSKESA-N 316.365 -0.445 30 20 DBED C[C@@H](CNC(=O)c1ccn(C)c(=O)c1)N=c1cc[nH]c(C#N)n1 1098387763 KCGSSLXJUWMOKD-JTQLQIEISA-N 312.333 -0.301 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCC(=O)NC1)Nc1cncc(C#N)n1 1098397745 TUURDAULYNHVFU-UWVGGRQHSA-N 302.338 -0.209 30 20 DBED C#CCNCc1cn([C@@H]2CCN(C(=O)CC(=O)NCC)C2)nn1 1098662180 YMDYYZHYSMYKTM-CYBMUJFWSA-N 318.381 -0.700 30 20 DBED C=CCN1C[C@@H]2CCC[C@]2(NC(=O)CN2CCNC(=O)C2)C1 1098973951 AOEVHFBNELRUHH-BBRMVZONSA-N 306.410 -0.425 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)CCS(=O)(=O)NC)[C@H](O)C1 1099832781 MKLCWCICNFLZJE-NWDGAFQWSA-N 319.427 -0.947 30 20 DBED Cc1[nH]nc(C(=O)NCCN(C)c2nccnc2C#N)c1O 1100014238 CPDFSGNFJQMUAH-UHFFFAOYSA-N 301.310 -0.048 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2nc(C)c[nH]2)[C@H](O)C1 1100029620 QVPLBWVFHYNRAV-QWHCGFSZSA-N 306.366 -0.467 30 20 DBED C#CCC1(C(=O)NCC2CC(NCC(N)=O)C2)CCOCC1 1100394378 AINGMRHMDMGBBM-UHFFFAOYSA-N 307.394 -0.224 30 20 DBED N#Cc1cccnc1N1CCC[C@H]1CNC(=O)Cn1ncnn1 1100868449 XEDNRHKFBKRZAY-LBPRGKRZSA-N 312.337 -0.275 30 20 DBED C#CCNC(=O)CC(=O)N(C)CCNc1cc(OCC)ncn1 1101550837 CVSTYJVLQJRSKF-UHFFFAOYSA-N 319.365 -0.115 30 20 DBED CN(CCNc1cnc(C#N)cn1)C(=O)[C@@H]1CCC(=O)NC1 1102027728 VLHNIRVPHSIQCK-SNVBAGLBSA-N 302.338 -0.255 30 20 DBED CNC(=O)CC(=O)N[C@H]1CCCCN(c2cncc(C#N)n2)C1 1102853882 FHRMTEHCPPMFKO-NSHDSACASA-N 316.365 -0.041 30 20 DBED CC[C@@H](CNC(=O)[C@@H]1CN(C)CCO1)Nc1cnc(C#N)cn1 1103031065 QNFYFKZRUKWJAK-AAEUAGOBSA-N 318.381 -0.014 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)Cn1cncn1 1103968847 AFVJQZUEJQOPMH-JTQLQIEISA-N 300.326 -0.774 30 20 DBED C[C@H](CN=c1cc[nH]cc1C#N)CNC(=O)Cn1ncnn1 1104095291 PXJCTQLMNJJPNS-SNVBAGLBSA-N 300.326 -0.774 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)CO[C@@H]1CCOC1 1104683027 FHZGAVYLKDJTIH-NWDGAFQWSA-N 319.365 -0.166 30 20 DBED C[C@H](CN=c1cc[nH]cc1C#N)N(C)C(=O)[C@H]1CNC(=O)N1 1104784386 FYICICWGPSKVDC-BXKDBHETSA-N 302.338 -0.685 30 20 DBED C#CCNCc1cn(C2CN(C(=O)c3cc(C)no3)C2)nn1 1105153749 ZMRBGCFNPADJEK-UHFFFAOYSA-N 300.322 -0.006 30 20 DBED C=CCCNCc1cn(C2CN(C(=O)c3cnn[nH]3)C2)nn1 1105276500 LQTZQHXORQEZKV-UHFFFAOYSA-N 302.342 -0.241 30 20 DBED C#CCNC(=O)CN1CC(OC2CCN(C(=O)COC)CC2)C1 1105680070 RPCSLPGRVUKUIR-UHFFFAOYSA-N 323.393 -0.926 30 20 DBED N#Cc1nccnc1NC[C@H](O)CNC(=O)C1CCOCC1 1105699463 WGTSDPMEPXFNJI-NSHDSACASA-N 305.338 -0.336 30 20 DBED Cc1cc(=NC[C@@H](O)CNC(=O)c2cn[nH]c2)c(C#N)c[nH]1 1105718331 LJXKIWKZGJJAOG-GFCCVEGCSA-N 300.322 -0.391 30 20 DBED CCCC(=O)NCC(=O)NC[C@@H](O)CNc1cncc(C#N)n1 1105726392 BKXMUDIAMSHNFO-NSHDSACASA-N 320.353 -0.846 30 20 DBED CCn1nncc1C(=O)NC[C@@H](O)CNc1ccc(C#N)nc1 1105822919 WOQMMUOADPQSQZ-LBPRGKRZSA-N 315.337 -0.233 30 20 DBED CCN(C)CCC(=O)NC[C@H](O)CNc1ccc(C#N)nn1 1105944103 JLHHEROBUYMZNO-GFCCVEGCSA-N 306.370 -0.421 30 20 DBED N#Cc1cncc(NC[C@@H](O)CNC(=O)[C@]2(F)CCOC2)n1 1106072480 IPGNIDTUMRNVEH-MFKMUULPSA-N 309.301 -0.634 30 20 DBED CCC(=O)N[C@H](C)C(=O)NC[C@@H](O)CNc1cncc(C#N)n1 1106141059 VRSGAKJDLPUYNM-KOLCDFICSA-N 320.353 -0.848 30 20 DBED C[C@H](CNc1cnc(C#N)cn1)NC(=O)C[C@@H]1CCC(=O)N1 1107839194 VEJHHTMQCHZDCV-ZJUUUORDSA-N 302.338 -0.066 30 20 DBED C=CCN1CCO[C@@](C)(CNC(=O)CN2CCOCC2=O)C1 1107997016 OCFXCYUVIQARDB-HNNXBMFYSA-N 311.382 -0.762 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)c2ccc(=O)n(CC)n2)C1 1108284737 YSHQZIBFHMYGSP-INIZCTEOSA-N 318.377 -0.283 30 20 DBED CC#CCN1CC(N2C[C@@H](NC(=O)COCCOC)CC2=O)C1 1108528339 VXOQCBXWRNQDPU-ZDUSSCGKSA-N 323.393 -0.926 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)[C@H](OCC)C3CC3)CC2=O)C1 1108546018 MDOHTNCVZBTWBF-CZUORRHYSA-N 319.405 -0.164 30 20 DBED Cc1ncoc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1109118159 APQOKPPBROLZHX-WOPDTQHZSA-N 317.349 -0.042 30 20 DBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H]1COC(=O)N1 1109218433 IIIONZYJZBBCOF-RHYQMDGZSA-N 322.365 -0.882 30 20 DBED C[C@@H](CN(C)c1nccnc1C#N)NC(=O)[C@]1(C)CCC(=O)N1 1109241942 BQTTTWYCHVXUET-BONVTDFDSA-N 316.365 -0.042 30 20 DBED N#Cc1ccc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)CCn2cnnn2)cn1 1109717880 ICTQSYXEXGTYST-DGFSRKRXSA-N 324.348 -0.277 30 20 DBED C#CCNC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cn[nH]c1 1110315535 YXYCBTPADCFDPZ-ZRJCITRHSA-N 315.377 -0.117 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@]1(O)CCN(c2ncc(F)cn2)C1 1111097797 GQQJNXWBPFXRLH-NHYWBVRUSA-N 322.340 -0.289 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@]1(O)CCN(c2ccc(C)nn2)C1 1111098030 KQFPYVYVAORXMB-CJNGLKHVSA-N 318.377 -0.119 30 20 DBED Cc1cc(C#N)nc(N2C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)C#N)C2)n1 1111176866 RPWIEJNWTKZFHX-ICCXJUOJSA-N 314.349 -0.176 30 20 DBED CN(C)CCC(=O)NC[C@@H]1COCCN1c1ccnc(C#N)n1 1111718775 GZBCXQZFKLWBDQ-GFCCVEGCSA-N 318.381 -0.379 30 20 DBED C#CCCN[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1C(F)(F)F 1112102354 DRXXPVRIHOMKAB-NXEZZACHSA-N 316.287 -0.325 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)C[C@@](C)(O)C=C)CC1 1112804525 MOLQRPLWBOIQBD-BBRMVZONSA-N 307.394 -0.404 30 20 DBED C[C@@H](CNC(=O)[C@@H]1COCCO1)N(C)c1cnc(C#N)cn1 1113501715 NBXQZSVPKHEURJ-JQWIXIFHSA-N 305.338 -0.295 30 20 DBED Cc1cc(C#N)nc(N(C)[C@@H](C)CNC(=O)CNC(N)=O)n1 1113508097 DVGLNYUELDTJNW-VIFPVBQESA-N 305.342 -0.734 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)c3cnsn3)[C@H]2C1 1113926253 XSGYLGBGCMYBTE-UXCLJVHYSA-N 319.390 -0.664 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)CNC(=O)CCC)[C@@H]2C1 1113969701 ZWOMDJXLTJMEOE-VXGBXAGGSA-N 322.409 -0.749 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3n[nH]c(C)c3O)[C@H]2C1 1114140789 LPLWQAOJZPVTKJ-IAZYJMLFSA-N 319.365 -0.614 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@H]2CN(Cc3nocc3C)C[C@H]12 1114159300 CJBSUJASUKHICG-RYUDHWBXSA-N 316.361 -0.331 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@H]2CN(CC3CCOCC3)C[C@H]12 1114170087 MIWBHCULPPYNQO-KBPBESRZSA-N 319.405 -0.401 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)Cc3nnc(C)o3)[C@H]2C1 1114217889 XGZLDACJMVJGDE-QWRGUYRKSA-N 319.365 -0.731 30 20 DBED Cn1nnnc1CN1C[C@H]2C(NC(=O)C#CC(C)(C)C)[C@@H]2C1 1114258316 PEQNUKBDWSKZAI-GHMZBOCLSA-N 302.382 -0.194 30 20 DBED C=CCC(C)(C)C(=O)N[C@H]1[C@@H]2CN(CC(=O)NC(N)=O)C[C@@H]21 1114896973 TWOARPGVDLIXOV-IAZYJMLFSA-N 308.382 -0.170 30 20 DBED C=C(Cl)CN1C[C@@H]2C(NC(=O)CS(=O)(=O)NC)[C@H]2C1 1115249720 LBKOIOWHUJDXCS-IUCAKERBSA-N 307.803 -0.666 30 20 DBED C=CCOCCN1C[C@H]2[C@H](NC(=O)C(C)(C)NC(=O)NC)[C@H]2C1 1115293925 FHINNLOSQHXSLJ-ITGUQSILSA-N 324.425 -0.057 30 20 DBED C=CCCOCC(=O)N[C@H]1[C@@H]2CN([C@@H]3CCC(=O)NC3=O)C[C@@H]21 1115330994 YCCYIAFAFGIXJJ-ZAZJYDDPSA-N 321.377 -0.569 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)NCC2CCN(C3CC3)CC2)CCO1 1117617279 XGEVKKLRLGWRSQ-CQSZACIVSA-N 320.393 -0.272 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@]1(O)CCS(=O)(=O)C1 1119572529 KKKJCQULHWNOTP-GVXVVHGQSA-N 303.380 -0.367 30 20 DBED C[C@@H](CN(C)C(=O)Cn1nccn1)N=c1cc[nH]c(C#N)n1 1120199397 IEJMUPCMISVPOS-JTQLQIEISA-N 300.326 -0.679 30 20 DBED Cc1cc(C(=O)NC[C@H](CO)Nc2nccnc2C#N)no1 1121010117 LCEXKWNGJONBEA-SECBINFHSA-N 302.294 -0.153 30 20 DBED C#CCCCCC(=O)NC[C@@H](CO)Nc1nccn2nnnc12 1121352801 FHJPFDFVABYJQO-NSHDSACASA-N 317.353 -0.398 30 20 DBED C=CCn1c(C(N)=O)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1121509251 GCGIQJVUXJIKHQ-YGRLFVJLSA-N 307.354 -0.053 30 20 DBED CN(C)CCOCC(=O)NC[C@@H](CO)Nc1ccc(C#N)nc1 1121806210 JASQZLBBYWZIHH-AWEZNQCLSA-N 321.381 -0.580 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H](CO)CNC(=O)c1cncnc1O 1122170662 LPUAPWXRYYFCDQ-SNVBAGLBSA-N 314.305 -0.926 30 20 DBED CN(C[C@H](O)CN(C)c1cnc(C#N)cn1)C(=O)c1cn[nH]c1 1125029769 HFEWCMBLXVFXMP-GFCCVEGCSA-N 315.337 -0.359 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCNCc1nnnn1CCC 1129770349 DQFGVQKLFALDAV-ZDUSSCGKSA-N 319.413 -0.614 30 20 DBED C=CCCN[C@@H]1CN(C(=O)CC(=O)NCC)C[C@@H]1n1ccnn1 1129798135 OBDYEOXOCLQLAV-OLZOCXBDSA-N 320.397 -0.278 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)c1cccc(C(N)=O)c1 1130367850 WBZFMXUQFGUSMO-NSHDSACASA-N 318.377 -0.204 30 20 DBED CC(C)C#CC(=O)N1CCC(=O)NCCN(CCCO)CC1 1131357271 NWJXXWRJKGFLSW-UHFFFAOYSA-N 309.410 -0.321 30 20 DBED C=CCN1C[C@H](NC(=O)CNC(=O)CNC(C)=O)CC[C@H]1C 1132139818 BXLHTIDRRQXKHP-DGCLKSJQSA-N 310.398 -0.606 30 20 DBED COCC#CCN1C[C@@H](NC(=O)Cc2nc[nH]n2)CC[C@@H]1C 1132416414 FCOAATAAMRWRMR-STQMWFEESA-N 305.382 -0.034 30 20 DBED C#CCCNC[C@H]1CN(C(=O)CN2CC(=O)NC2=O)CC[C@H]1C 1133173403 DVXVCLSGISPQEK-OLZOCXBDSA-N 320.393 -0.364 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)C[C@H]2CCC(=O)N2)C1=O 1135218584 JWWNQPUOWSWBIK-NEPJUHHUSA-N 308.382 -0.852 30 20 DBED C#CCN1CCC2(C1)CN(C(=O)CNC(=O)c1ccncc1)C2 1147610402 BVVQRUMBRIHKFA-UHFFFAOYSA-N 312.373 -0.021 30 20 DBED C=C(Cl)CN1CCCO[C@@H](CNC(=O)Cn2ncnn2)C1 1149739460 NHQXDKIGUZSINB-NSHDSACASA-N 314.777 -0.367 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)C[C@@H]2CCN(C)C2=O)C1 1149887626 GIMSPOMFIKONRN-KBPBESRZSA-N 307.394 -0.305 30 20 DBED C=C(C)CN1CCCO[C@H](CNC(=O)CN2CCNC(=O)C2)C1 1150080178 YZBIYCZJFFVMQS-CQSZACIVSA-N 324.425 -0.799 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)COC[C@@H]2CCOC2)C1 1150394982 OATDYULBNHJCES-HUUCEWRRSA-N 310.394 -0.120 30 20 DBED CC#CCN1CCCO[C@H](CNC(=O)COCCN(C)C)C1 1150590083 YIRIHIRFYGQDBY-OAHLLOKOSA-N 311.426 -0.205 30 20 DBED C=CCNC(=O)NC(=O)CNCCCNC(=O)[C@H](C)SC 1154930054 KASCCQIXHOIMPP-JTQLQIEISA-N 316.427 -0.154 30 20 DBED CCN(CC)CC(=O)NC[C@@H](C)N(CC)CC(=O)NCC#N 1155900550 YFGSPZOTPQRRDI-CYBMUJFWSA-N 311.430 -0.205 30 20 DBED C#CCNC(=O)CC(=O)NCCCNCc1nnc(CC)s1 1156848164 UHJOZHSZHJJJKY-UHFFFAOYSA-N 323.422 -0.164 30 20 DBED CCN(CCC#N)C(=O)CNCCCNC(=O)c1cn(C)nn1 1157454943 ZPLHDTKDZXVUFE-UHFFFAOYSA-N 321.385 -0.713 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@H]1CCO[C@H]1C(C)C 1159607715 QYXOJXNRAQVOBN-ZFWWWQNUSA-N 309.410 -0.107 30 20 DBED CS(=O)(=O)NCCC(=O)NCCC1=CCN(CC#N)CC1 1160279547 UYILJGWJFRCPOY-UHFFFAOYSA-N 314.411 -0.412 30 20 DBED C#CCNC(=O)CNCC1(CCNC(=O)Cc2ncc[nH]2)CC1 1167529031 WEPAZWKCDXFFPP-UHFFFAOYSA-N 317.393 -0.422 30 20 DBED CS(=O)(=O)CCC(=O)N1CC[C@H]2OCCN(CC#N)[C@H]2C1 1177043766 ZUXTYXCPCZYPIC-NWDGAFQWSA-N 315.395 -0.754 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@@H](NCC(=O)N(C)C2CC2)C1 1182473735 YMUXULPMKOWHAS-CHWSQXEVSA-N 307.394 -0.164 30 20 DBED C#CCNC[C@]1(C)CN(C(=O)CN2C(=O)CN(C)C2=O)C[C@H]1C 1183356313 FVEZNIPTHPLRIA-MLGOLLRUSA-N 320.393 -0.412 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2c[nH]nc2CCC)C1 1183877676 UMCLKKGLHWAIGF-GFCCVEGCSA-N 317.393 -0.084 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)c2ccnc(OC)n2)C1 1184148718 YAYYWWYGTHKPCG-LLVKDONJSA-N 319.365 -0.409 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@@H]1CCN(C(=O)CNC(=O)OC)C1 1189104513 KCFKIZYXKVUQJJ-NWDGAFQWSA-N 324.381 -0.987 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@H](N(C)CC(=O)NCC=C)C1 1190095350 TUEGMOXPHMDIMT-KBPBESRZSA-N 307.394 -0.140 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@H]1CCN(C(=O)C(C)(C)C(N)=O)C1 1190776480 OGYATVUQMJBPMT-NEPJUHHUSA-N 322.409 -0.832 30 20 DBED C=CCOCCN(C)[C@@H]1CCN(C(=O)c2nnc(O)nc2O)C1 1191163253 UQSJJHNGMPVVSG-SNVBAGLBSA-N 323.353 -0.368 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(Cc2cnc(C)nc2)C[C@H]1O 1191771431 OMQQQSGGVAXRPG-ZIAGYGMSSA-N 306.366 -0.351 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(Cc2nccc(C)n2)C[C@H]1O 1191806792 CUSHMPNVKAUMSA-CHWSQXEVSA-N 306.366 -0.351 30 20 DBED CC[C@@H](C)NC(=O)CN1C[C@@H](O)[C@H](NC(=O)C#CC(C)C)C1 1192751717 HXMQWSFLCWUCKU-MGPQQGTHSA-N 309.410 -0.278 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CN(CCCO[C@H]2CCOC2)C[C@H]1O 1192827143 QGJQOUAIIOMKRI-ARFHVFGLSA-N 322.405 -0.243 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 1193911716 NOQKACARQHKGNX-QHSBEEBCSA-N 318.377 -0.676 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)[C@@H]2CCN(C)C2)C1 1194002310 QZEVKTRGDUYDSV-KGLIPLIRSA-N 308.426 -0.227 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC[C@H](N(C)Cc2nnn(C)n2)C1 1194397499 WKWWANRTBVBSNW-RYUDHWBXSA-N 308.386 -0.166 30 20 DBED C=CCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCS(=O)(=O)C2)C1 1194519352 NHSVISPJWWNFNF-JHJVBQTASA-N 316.423 -0.451 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)CCC(=O)NCC)CC1 1195261207 XPLFUUGGJDTCOL-UHFFFAOYSA-N 324.425 -0.261 30 20 DBED C=C[C@H](CC)CC(=O)N[C@@H]1CN(CC(=O)N2CCC2)C[C@H]1O 1195554979 UZARVDWNTNTLMZ-MGPQQGTHSA-N 309.410 -0.018 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2nonc2C)C[C@H]1O 1199312731 GXTLRNQGRDIZGF-RAIGVLPGSA-N 310.354 -0.370 30 20 DBED C=CCCCNC[C@H]1CN(C(=O)Cn2cnnn2)CCCO1 1199786981 JBZRWDVAXRBFDZ-ZDUSSCGKSA-N 308.386 -0.154 30 20 DBED C#CCNC(=O)CC(=O)N1CCC(NCc2ccn(C)n2)CC1 1200170842 LSRKHSUZSKGYQO-UHFFFAOYSA-N 317.393 -0.360 30 20 DBED C=CCCCNC[C@@H]1CN(C(=O)c2nnn(C)n2)CCCO1 1201185645 CGBULPAVJCJNRD-GFCCVEGCSA-N 308.386 -0.003 30 20 DBED CN1C[C@@H](C(=O)N2CCCO[C@H](CNCC#N)C2)CCC1=O 1202154293 MMYLBNVTAOJHMX-QWHCGFSZSA-N 308.382 -0.415 30 20 DBED C#CCCN1C[C@@H](NC(=O)COCc2nncn2C)[C@H](OC)C1 1213652162 QBVSAGHOOQYIKN-CHWSQXEVSA-N 321.381 -0.830 30 20 DBED C#CCOCCC(=O)N1C[C@@H](NCCNC(=O)C2CC2)[C@H](C)C1 1214611018 LINTUWCJNYMRLC-UKRRQHHQSA-N 321.421 -0.011 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)c2c[nH]nc2CC)C[C@H]1C 1215038140 QGAUUKNWUBHQFA-BXUZGUMPSA-N 317.393 -0.228 30 20 DBED C[C@@H]1CN(C(=O)c2cncn2C)C[C@H]1NCC(=O)NCC#N 1215075620 SGEJMDIDRPKFPG-GHMZBOCLSA-N 304.354 -0.890 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)[C@@H]2CCNC(=O)CC2)C[C@H]1C 1215230713 SOMXTSSUBSPSSD-QLFBSQMISA-N 321.421 -0.011 30 20 DBED COCC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1ncc[nH]1 1217825924 IMWWJYGSOCFFNS-QWHCGFSZSA-N 304.350 -0.415 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)c2ccsc2)C1 1219155753 PGMVJKKWRFXNNX-UHTWSYAYSA-N 321.402 -0.339 30 20 DBED CC(C)c1n[nH]c(CN2C[C@H](O)[C@H](NC(=O)[C@H](C)C#N)C2)n1 1219379684 WLCCTQGFENZWFY-MXWKQRLJSA-N 306.370 -0.251 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(CCc2ccns2)C[C@@H]1O 1219611752 HTEPLKPUBWGEAC-KGLIPLIRSA-N 323.418 -0.113 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)Cn1nccn1 1226474989 UKHROYOXQGZWSI-CHWSQXEVSA-N 318.381 -0.956 30 20 DBED C[C@@H]1CCO[C@@H]1C(=O)NC1CCN(CC(=O)NCC#N)CC1 1229234138 RWIDCERBJPUTOX-RISCZKNCSA-N 308.382 -0.368 30 20 DBED CC#CC[C@@H](CO)NC(=O)NCCN/C(O)=C1/N=CC=CC1=O 1261452738 LADMYWYNJLQSFH-IVPXEPLCSA-N 320.349 -0.414 30 20 DBED COC(=O)CN(CC#N)C(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 1318637391 HIRDZTKCGKOSFI-UHFFFAOYSA-N 316.273 -0.645 30 20 DBED COC[C@H]1CN(C(=O)C(=O)Nc2ccn(CCC#N)n2)CCO1 1319535616 CQYNIYQOYBSYKR-LLVKDONJSA-N 321.337 -0.391 30 20 DBED COC[C@@H](O)CNC[C@@H]1CN(C(=O)C#CC(C)(C)C)CCO1 1326977062 FKHQNWDTMSEBKI-UONOGXRCSA-N 312.410 -0.140 30 20 DBED C#C[C@H](C)NC(=O)C(=O)Nc1cnn(C(C)(C)C(=O)OC)c1 1328086418 SDVFVJMRPDSWTP-VIFPVBQESA-N 306.322 -0.132 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)C(=O)NCCc2ccc(O)cc2)C1 1329320081 GSDAPEQGVCHKNF-MRXNPFEDSA-N 317.345 -0.072 30 20 DBED O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1[C@H]2CC[C@H]1CNC2 1330769339 DXZDKRZHHYIUGZ-HPQGGDDDSA-N 319.365 -0.341 30 20 DBED CC(C)N[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)C1 1332371790 IADNJSPUDVMZHU-CJNGLKHVSA-N 322.409 -0.148 30 20 DBED CN(C[C@H]1CCCOC1)C(=O)C(=O)N1CC[C@](O)(CC#N)C1 1332377938 WYNKHLFXJRUVMP-IUODEOHRSA-N 309.366 -0.252 30 20 DBED COC[C@]1(C)CCN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)C1 1332388381 YYIZSGOKUCUJMD-HUUCEWRRSA-N 309.366 -0.252 30 20 DBED CS(=O)(=O)NCCNC(=O)C(=O)Nc1sccc1C#N 1343910943 OEOHEGAZVDTFGJ-UHFFFAOYSA-N 316.364 -0.776 30 20 DBED C=CC[C@H]1NC(=O)N(c2ccn(CCN3CCNC3=O)n2)C1=O 1350693577 OGDYGCHPLTUXAI-SNVBAGLBSA-N 318.337 -0.091 30 20 DBED CN[C@H](C)CCNC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1353302773 MDRCFVXEWKLUIZ-DGCLKSJQSA-N 307.398 -0.701 30 20 DBED CCOC(=O)N1CC[C@@H](Nc2[nH]c(=O)n(C)c(=O)c2C#N)C1 1363161267 VSCNKVXQPMGWHM-MRVPVSSYSA-N 307.310 -0.412 30 20 DBED N#Cc1ncn(CC(=O)N2CC(=O)NC[C@H]2c2ccccc2)n1 1363617770 AXPAUGLCGNMXQS-LBPRGKRZSA-N 310.317 -0.151 30 20 DBED N#Cc1cnn2c(O)cc(CN3CC[C@H](S(N)(=O)=O)C3)nc12 1363785948 ZIXYLEMRWKIZHE-JTQLQIEISA-N 322.350 -0.831 30 20 DBED C=C(Cl)CN[C@H](C)CNC(=O)Cn1ccc(O)nc1=O 1366300360 WIHKBPSTESQOPY-SECBINFHSA-N 300.746 -0.204 30 20 DBED C[C@@H](CNC(=O)c1cc(C(N)=O)ccn1)N(C)C(=O)[C@H](C)C#N 1369890212 LFINDQMSWHAWLM-ZJUUUORDSA-N 317.349 -0.083 30 20 DBED CCOCC(=O)NCc1nc(O)cc(CNC(=O)[C@H](C)C#N)n1 1371747634 WUKWNJAEWKARCZ-SECBINFHSA-N 321.337 -0.389 30 20 DBED CCN(CCNC(=O)[C@H]1COCCN1CC)C(=O)[C@H](C)C#N 1373864922 IFCCPRKAAPUDIY-CHWSQXEVSA-N 310.398 -0.169 30 20 DBED CCc1nc(C(=O)N(C)C[C@@H](O)CNC(=O)[C@H](C)C#N)co1 1384220621 QMLKXGWWUVLPFM-ZJUUUORDSA-N 308.338 -0.054 30 20 DBED C=C(Cl)CN[C@@H](CC)CNC(=O)CN1CCNC(=O)C1 1391720239 RMKVCLNCHNUNCD-NSHDSACASA-N 302.806 -0.345 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]1CNC(=O)COCc1ccnn1C 1400451510 XAOQPKMGJMEIDZ-NEPJUHHUSA-N 319.365 -0.187 30 20 DBED CCN1CCC(NC(=O)Cn2cc(C#N)c(O)nc2=O)CC1 1433590151 WLZAZUDAYUNRBN-UHFFFAOYSA-N 305.338 -0.579 30 20 DBED CC(=O)N(C)CC(=O)N1CC[C@](C)(CNC(=O)[C@H](C)C#N)C1 1434212543 HEZLTARFHIXSRC-IAQYHMDHSA-N 308.382 -0.021 30 20 DBED C=C(Cl)CN1CC[C@H](NC(=O)CNC(=O)CNC(C)=O)C1 1441106264 VDYXBVGFCILWAQ-NSHDSACASA-N 316.789 -0.818 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)CCc3cnn[nH]3)[C@H]2C1 1454529785 WKOAPOYIRHBBFE-GOONRYMUSA-N 302.338 -0.530 30 20 DBED Cc1nn[nH]c1C(=O)NCCN(C)C(=O)c1cc(C#N)c[nH]1 1455381901 AHYPVXQIIMJVNP-UHFFFAOYSA-N 301.310 -0.185 30 20 DBED N#Cc1cn(CCC(=O)N2C[C@H]3CC[C@H]2[C@@H](O)C3)c(=O)nc1O 1455792234 MDAXRQCJMSXGFF-DLOVCJGASA-N 318.333 -0.418 30 20 DBED N#Cc1cn(CC(=O)N2CC[C@H](O)C23CCCC3)c(=O)nc1O 1468551474 KJKUNXDZZLDIGA-NSHDSACASA-N 318.333 -0.273 30 20 DBED C[C@H](C#N)C(=O)N1CCCC[C@@H]1CNCCN1C(=O)CNC1=O 1484614308 PMNNBAKDJVNERK-VXGBXAGGSA-N 321.381 -0.331 30 20 DBED CNC(=O)NCC(=O)N1[C@H]2CC[C@H]1CN(C(=O)[C@@H](C)C#N)CC2 1506230043 LDOLSNJSUWTBBK-SRVKXCTJSA-N 321.381 -0.333 30 20 DBED C=CCn1c([C@@H](O)COC)nnc1N(C)Cc1cn(C)nn1 1520650334 XSJJBIMDSFJCED-NSHDSACASA-N 307.358 -0.091 30 20 DBED CCOCCCn1c(CCO)nnc1N1CCO[C@@H](C#N)C1 1524644350 MCIHVHGXVSMZEL-LBPRGKRZSA-N 309.370 -0.032 30 20 DBED C[C@@H](C#N)C(=O)NC[C@](C)(NC(=O)Cn1ncnn1)C1CC1 1531724249 CDFCTTLAUFZWIA-ZANVPECISA-N 305.342 -0.766 30 20 DBED C#CCOCCC(=O)N(C)C1CC(NC(=O)CNC(=O)O)C1 1573311546 SVJOZQOHELLKSU-UHFFFAOYSA-N 311.338 -0.601 30 20 DBED C#CCO[C@H](C)C(=O)NCC1CC(NC(=O)CNC(=O)O)C1 1573311673 WHLPNJPDNPJVMW-KPPDAEKUSA-N 311.338 -0.697 30 20 DBED N#Cc1cn(CCNC(=O)[C@H]2CC[C@H]2C(=O)O)c(=O)nc1O 1574249091 RPUOZGQUCYXJFT-DTWKUNHWSA-N 306.278 -0.952 30 20 DBED C=CCCOCC(=O)N[C@H]1COC2(C1)CN(Cc1cnn[nH]1)C2 1575099695 BHVCOYZBYQMTBF-GFCCVEGCSA-N 321.381 -0.143 30 20 DBED N#Cc1ncc(NC[C@@H](O)COCC2CC2)nc1-c1nn[nH]n1 1581882565 CYMPJKDLWYBPRV-SECBINFHSA-N 316.325 -0.272 30 20 DBED C=C(CCC(=O)O)C(=O)N1CCN(S(=O)(=O)NC)CC1 1588615265 ORTQSJTUORTFGJ-UHFFFAOYSA-N 305.356 -0.984 30 20 DBED C[C@@H](C(=O)Nc1cc(-c2nn[nH]n2)ccn1)n1cnc(C#N)n1 1589011826 NQLRBBXCHDVUSA-ZETCQYMHSA-N 310.281 -0.075 30 20 DBED C[C@]1(C(=O)O)CCN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)C1 1589187437 SEMUWTPRDPVSLW-UONOGXRCSA-N 309.322 -0.813 30 20 DBED N#Cc1cccnc1NCCN(CCO)C(=O)[C@H]1C[C@H]1C(=O)O 1601128064 GMULXMKNNHSZJX-NWDGAFQWSA-N 318.333 -0.093 30 20 DBED C#CCN(CCOc1ccc(S(N)(=O)=O)cc1)CC(=O)O 1602701159 ZEVAVUSKEJQXRW-UHFFFAOYSA-N 312.347 -0.267 30 20 DBED N#CCc1cccc(NC(=O)C(=O)NC[C@H](O)CC(=O)O)c1 1608189730 JJWCREQFUAZNTH-LLVKDONJSA-N 305.290 -0.357 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N2CCC[C@@H]2CC(=O)O)CCO1 1610620254 DCDGUSQIQCASJR-NXEZZACHSA-N 303.340 -0.605 30 20 DBED CCN(CCC#N)S(=O)(=O)NCC1CCS(=O)(=O)CC1 1645759202 IZFMFCZXJXKMMZ-UHFFFAOYSA-N 323.440 -0.119 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H]1CCCN(Cc2ncnn2C)C1 1713789489 YPJGQEOVBYEHGX-OLZOCXBDSA-N 305.382 -0.066 30 20 DBED CCN(CCNC(=O)c1ccc(OC)o1)CC(=O)NCC#N 1753091779 JQVYUONDPUJKFI-UHFFFAOYSA-N 308.338 -0.020 30 20 DBED CC#CCN(CCCNC(=O)CS(=O)(=O)NC)C(C)C 1753295214 IHTSEGVHURKSFI-UHFFFAOYSA-N 303.428 -0.224 30 20 DBED N#CCNC(=O)CN1CC(CNC(=O)C2(C(F)F)CC2)C1 1753402929 IANALTWBTRSYPQ-UHFFFAOYSA-N 300.309 -0.281 30 20 DBED CC#CCN[C@H](CC)CNC(=O)c1nc(C)n(-c2nc[nH]n2)n1 1753481771 YFDVJABTVDSOCR-LLVKDONJSA-N 316.369 -0.185 30 20 DBED COCC#CCN1CCC2(CCN(C(=O)CC(N)=O)CC2)C1 1753602124 ASXVLSBDAKDDDB-UHFFFAOYSA-N 307.394 -0.174 30 20 DBED C#CCCNC[C@H]1[C@H](C)CCCN1C(=O)CN1CCNC(=O)C1 1753808926 HOLNUXYEQQTCRU-CABCVRRESA-N 320.437 -0.342 30 20 DBED COCC#CCNC[C@@H](O)CNC(=O)[C@H]1CN2CCC1CC2 1753911021 IUUGPSQSHHIIOD-CABCVRRESA-N 309.410 -0.955 30 20 DBED C#Cc1ccc(C(=O)N(CC)CCNCC(=O)NCC#N)cn1 1754076783 SMWYEOSCUFLOJS-UHFFFAOYSA-N 313.361 -0.246 30 20 DBED N#CCNC(=O)CNC/C=C/CNC(=O)C[C@@H]1CCCOC1 1754207090 NQUJRDSOYPVIQO-AORQRIRUSA-N 308.382 -0.295 30 20 DBED C#CCNC(=O)CNC[C@@H](C)NC(=O)c1ncc2n1CCCC2 1754253936 HWSWIJGMGRJQDZ-GFCCVEGCSA-N 317.393 -0.323 30 20 DBED COCC#CCN1CC[C@@H]1CNC(=O)C[C@H]1CCC(=O)NC1 1754485582 YBUHLDPIZCKLDS-ZIAGYGMSSA-N 307.394 -0.257 30 20 DBED Cc1c(C(=O)NC[C@]2(O)CCN(CC#N)C2)nnn1C(C)C 1754759064 CNJYBHAVXXNITN-CQSZACIVSA-N 306.370 -0.142 30 20 DBED C=CCOCCN1C[C@H]2C[C@@H](NC(=O)Cn3ncnn3)C[C@H]1C2 1754780700 GIZCSEQLFFXFDE-BFHYXJOUSA-N 320.397 -0.155 30 20 DBED C=CCNC(=O)CN1CCC[C@@](CO)(NC(=O)[C@@H](C)OC)C1 1754852711 MSHUZXBBVUZHME-IUODEOHRSA-N 313.398 -0.733 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC([C@@H](C)NC(=O)c2cncnc2)C1 1755374047 NSLNWFVBACBRMJ-VXGBXAGGSA-N 315.377 -0.335 30 20 DBED C#CCNC(=O)CN1CC([C@@H](C)NC(=O)C[C@@H]2CCOC2)C1 1755385431 WORWTXUYVXEMOT-OLZOCXBDSA-N 307.394 -0.401 30 20 DBED COc1cc(C(=O)N(C)C[C@@H](C)NCC(=O)NCC#N)nn1C 1755595886 CGXOQSDLGWODSZ-SNVBAGLBSA-N 322.369 -0.881 30 20 DBED C=C(C)CCNC[C@@H](O)CN(C)C(=O)Cn1ccc(O)nc1=O 1755783677 WOSQAYWBYBROCI-GFCCVEGCSA-N 324.381 -0.676 30 20 DBED C#CCOCCC(=O)N(C)[C@H](C)CNC(=O)[C@H](C)NC(C)=O 1756001559 BYALKDHNXJXKLV-NEPJUHHUSA-N 311.382 -0.486 30 20 DBED C=CCCC(=O)N[C@H](CO)CNC(=O)c1ccc2nnnn2c1 1756534565 YYFLVVYQCMAAMM-NSHDSACASA-N 318.337 -0.703 30 20 DBED C=C(C)C(C)(C)C(=O)N(C)C[C@@H](O)CNC(=O)Cc1nc[nH]n1 1756672591 ZJHARWIZRWWRNE-NSHDSACASA-N 323.397 -0.115 30 20 DBED C=CCOCC(=O)N1CCCC[C@@H]1CN(C)C(=O)CC(N)=O 1756865096 RDHOOBZRPWURDE-GFCCVEGCSA-N 311.382 -0.096 30 20 DBED CC(C)(C)C#CC(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2cccn2)C1 1756977927 XNIQYJQHPXPBGV-CHWSQXEVSA-N 318.377 -0.380 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@H](NC(=O)[C@H](CC)NC(C)=O)C1 1757213549 BLSBPASOWQUQHY-MJBXVCDLSA-N 323.393 -0.608 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)COCCN(C)C)C[C@H]21 1757244836 QWCLTSJGWRMQGX-BFHYXJOUSA-N 322.409 -0.216 30 20 DBED CC(=O)NCC(=O)N(C)C[C@H]1CCN1C(=O)CSCC#N 1757271942 DUDYSBVCZRKHCX-LLVKDONJSA-N 312.395 -0.561 30 20 DBED C[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)C#N)[C@H]2C1 1783685946 ZGZNFGSYLNEJTF-CYDGBPFRSA-N 323.393 -0.103 30 20 DBED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1C=CCN1)CCO2 1785422738 MMFKLSBAWNPQNR-YOEHRIQHSA-N 317.389 -0.242 30 20 DBED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(C)=O)C[C@@H]21 1790790790 GZUZZDDKVVYYSJ-IHRRRGAJSA-N 306.362 -0.032 30 20 DBED C=CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791078154 VJGBMFJTNBFIRR-AVGNSLFASA-N 320.345 -0.370 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCCCO1)C2 1800451976 BCKKJAMPMDUVHZ-XFMPKHEZSA-N 306.362 -0.222 30 20 DBED CC[C@@H](NC)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC(=O)O 1801988941 RZKSMFWXERWIIE-YVECIDJPSA-N 321.377 -0.289 30 20 DBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)COC)C2)C1 1839806162 CYJARSSLTRENEK-CZUORRHYSA-N 324.377 -0.642 30 20 DBED CC(C)[C@@H](S)C(=O)N1CCCC12CN(C(=O)C(O)O)C2 1841623476 UCZGFSWZHASUKT-SECBINFHSA-N 302.396 -0.545 30 20 DBED C=CCC(=O)N1CC2(CCCN2C(=O)C[C@H]2NC(=O)NC2=O)C1 1841962996 SGWTWSBHJLCXHQ-SNVBAGLBSA-N 320.349 -0.636 30 20 DBED C#CCN1CCN(C(=O)[C@H]2CCCN(S(C)(=O)=O)C2)CC1 128203993 MCHDHJANJZPCEL-ZDUSSCGKSA-N 313.423 -0.565 30 20 DBED CNC(=O)[C@@H]1CN(CC(=O)Nc2ccc(C#N)cc2)CCO1 184086335 PXSGGWRLLPGNBL-ZDUSSCGKSA-N 302.334 -0.056 30 20 DBED CN1CCN(C)[C@@H](CNS(=O)(=O)c2cccnc2C#N)C1 234346840 PCRCKCQAEVFAAV-NSHDSACASA-N 309.395 -0.523 30 20 DBED CN(C)C(=O)CN/C(=N/C1CC1)N1CCC[C@H](CC(N)=O)C1 262282882 JKUMZWQAMVONGT-LLVKDONJSA-N 309.414 -0.230 30 20 DBED C=CCN(C(=O)CNC(=O)OCC)[C@H]1CCS(=O)(=O)C1 270341211 NRQAXRCUNOJHKG-JTQLQIEISA-N 304.368 -0.066 30 20 DBED CN1CC[C@H]2CCN(c3c(C#N)c(=O)n(C)c(=O)n3C)[C@H]2C1 272257583 ZOJGWMGWSFZFSH-JQWIXIFHSA-N 303.366 -0.514 30 20 DBED C=CCS(=O)(=O)CCNC(=O)Cn1nc2ccccn2c1=O 272827803 HDLCVIXFILSQJU-UHFFFAOYSA-N 324.362 -0.787 30 20 DBED CNC(=O)[C@@H](NC(=O)CO/N=C(\N)CCO)c1ccccc1 275522001 OOJWAZXTLQCGBG-ZDUSSCGKSA-N 308.338 -0.739 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@H](OC)C[C@@H]2C)C1=O 281688695 FTDUNLZTBOAAKI-WDEREUQCSA-N 323.349 -0.011 30 20 DBED N#Cc1ccc(N2CCN(C(=O)[C@@H]3COC(=O)N3)CC2)nc1 283038806 NGOOWFGVCNMKNS-NSHDSACASA-N 301.306 -0.290 30 20 DBED Cc1cnn([C@@H]2CCN(c3c(C#N)c(=O)n(C)c(=O)n3C)C2)c1 290934387 ZFRNGABAXPLTAZ-LLVKDONJSA-N 314.349 -0.088 30 20 DBED C#CCN(C)CC(=O)c1c(N)n(CC(C)C)c(=O)n(C)c1=O 298465694 IIXBMKMYTGDFJR-UHFFFAOYSA-N 306.366 -0.467 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(CC)C[C@@H](C)C#N)C1=O 298794110 KOKJVNUHEOVGEH-JTQLQIEISA-N 306.322 -0.029 30 20 DBED N#C[C@H]1CC[C@@H](N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)C1 328710511 BRVYMFRGAQFYLL-QWHCGFSZSA-N 318.377 -0.028 30 20 DBED CN1CCOC[C@H]1/C(O)=N/CC1CCN(S(C)(=O)=O)CC1 328980105 XRNQYCHHBMPWSP-LBPRGKRZSA-N 319.427 -0.055 30 20 DBED C[C@H](/N=C(/O)[C@H]1CCCN1C)C(=O)N1CCS(=O)(=O)CC1 329345618 QZGSYZSBXVDFCE-WDEREUQCSA-N 317.411 -0.317 30 20 DBED C[C@H](CCS(C)(=O)=O)N/C(O)=N/C[C@@H]1CN(C)CCO1 331021897 KTNWDHJIXOJTKU-GHMZBOCLSA-N 307.416 -0.356 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCN2C(=N)O)CC1 331025577 AWPLFBAHEVVDHW-LBPRGKRZSA-N 323.397 -0.610 30 20 DBED C[C@@H](CS(C)(=O)=O)N(C)S(=O)(=O)N(C)[C@H](C)CC#N 332439120 DPXZYBKPXPBVGI-ZJUUUORDSA-N 311.429 -0.170 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)NCCCOCC2CC2)CCO1 336880757 AGTVTRHFMJCQSO-GFCCVEGCSA-N 303.384 -0.138 30 20 DBED COCCN(CCC#N)S(=O)(=O)N(C)CC(=O)NC(C)C 336903713 CWRVUGIBIGBOJZ-UHFFFAOYSA-N 320.415 -0.450 30 20 DBED CCN(CCC#N)S(=O)(=O)N(C)CC1(O)CCOCC1 337198559 YFPPGUDKTPKUPO-UHFFFAOYSA-N 305.400 -0.060 30 20 DBED CC(=O)NC[C@@H]1CN(S(=O)(=O)N(C)[C@H](C)CC#N)CCO1 337967274 HUAZACOVDMPSBF-ZYHUDNBSSA-N 318.399 -0.698 30 20 DBED CN1CCN(C(=O)CCNC(=O)C(=O)NCCCCC#N)CC1 340236090 NEZZFHZYSOACJN-UHFFFAOYSA-N 323.397 -0.923 30 20 DBED CN1C(=O)C(=O)N(CC(=O)N(CC#N)c2ccccc2)C1=O 342386792 HYRJKQLODATYEV-UHFFFAOYSA-N 300.274 -0.036 30 20 DBED N#Cc1cccc(CNC(=O)CN2CC[C@H](S(N)(=O)=O)C2)c1 357393089 SIMKLBYLBDZCJR-ZDUSSCGKSA-N 322.390 -0.463 30 20 DBED N#Cc1ccc(OCC(=O)NCCN2CCNC(=O)C2)cc1 357967253 KZOQCCPDKJXWOD-UHFFFAOYSA-N 302.334 -0.515 30 20 DBED C=CCN1CC[C@@H](N2CCC[C@H](S(=O)(=O)NC)C2)C1=O 366843926 HTSSLFJRTCTKCJ-NWDGAFQWSA-N 301.412 -0.213 30 20 DBED C=CCN1CC[C@@H](N2CCCN(S(C)(=O)=O)CC2)C1=O 369202133 GSQXFCGKPNNBDG-GFCCVEGCSA-N 301.412 -0.259 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@@]23CCOC3)CC1 491524911 OXPFEDXAVXEHCE-XJKSGUPXSA-N 305.378 -0.693 30 20 DBED C=CCC[C@@H]1NC(=O)N([C@@H]2CCN(S(C)(=O)=O)C2)C1=O 567999242 LYGZEABCLCQYSU-ZJUUUORDSA-N 301.368 -0.093 30 20 DBED CO[C@@H]1COC[C@H]1NCC(=O)N1CCN([C@H](C#N)C(C)C)CC1 570160053 VBEDMEJNZXRBEB-RBSFLKMASA-N 324.425 -0.318 30 20 DBED Cc1cc(NC(=O)C(=O)N2CCOC[C@H](O)C2)ncc1C#N 575135807 MAWPKGDUJVLLNM-LLVKDONJSA-N 304.306 -0.580 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)NC[C@@](C)(CO)CC(=O)O 583444024 KPYKEQMFEONCJR-ONGXEEELSA-N 307.372 -0.472 30 20 DBED C[C@@H](CC(N)=O)NC(=O)CNS(=O)(=O)c1cccc(C#N)c1 589430383 BYOZATPGDNZMCK-VIFPVBQESA-N 324.362 -0.783 30 20 DBED N#CCNC(=O)CNC(=O)N[C@H]1CC[C@@](O)(C(F)(F)F)C1 589931168 WLTQYQRBRJNOHV-XVKPBYJWSA-N 308.260 -0.229 30 20 DBED N#Cc1cccc(NC(=O)C(=O)N2CCC[C@H](OCCO)C2)n1 592285655 HMGLLBJOQALYJQ-LBPRGKRZSA-N 318.333 -0.108 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)O)C2)CCO1 592457249 DLZFKPHEQXBWRK-KXUCPTDWSA-N 303.340 -0.702 30 20 DBED COC(=O)COCCNC(=O)C(=O)Nc1ccc(C#N)c(F)c1 600046310 DMRZZFHVRLIYLQ-UHFFFAOYSA-N 323.280 -0.058 30 20 DBED COCCN(C)CCN1C[C@H](N=c2cc[nH]cc2C#N)CC1=O 601177987 GZXDIFJDBGKFCL-CQSZACIVSA-N 317.393 -0.034 30 20 DBED Cn1cc(CNC(=O)C(=O)N2CCN(CCC#N)CC2)cn1 602237719 AIOBDOKMNSSMLQ-UHFFFAOYSA-N 304.354 -0.906 30 20 DBED C=C[C@@](C)(O)C(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1 616484945 AYLOETPAESZGKO-OAHLLOKOSA-N 304.350 -0.234 30 20 DBED C=CCC[C@@H]1NC(=O)N([C@@H]2CS(=O)(=O)C[C@@H]2OC)C1=O 656834434 XVYQOAHEDQISPB-AEJSXWLSSA-N 302.352 -0.315 30 20 DBED C=CC[C@H](CO)CNC(=O)CNS(=O)(=O)c1cccnc1 685813553 DGBYLPNWUJBUJB-NSHDSACASA-N 313.379 -0.339 30 20 DBED Cc1nc(S(=O)(=O)NCC#CCO)c(Br)n1C 717554739 WBEWCXSIFDVUJD-UHFFFAOYSA-N 322.184 -0.235 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)C1(C(=O)NC2CC2)CC1 729713664 VRSYLIMQMGFICF-VIFPVBQESA-N 323.349 -0.011 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(CN(C)[C@@H]2CCOC2)c1=O 730259734 VTPIXJARABVPDY-GFCCVEGCSA-N 322.365 -0.778 30 20 DBED CNC(=O)CNC(=S)NN=Cc1c(CO)cnc(C)c1O 731927664 MXRHJXUZEJZHCL-UHFFFAOYSA-N 311.367 -0.868 30 20 DBED C=CCNC(=O)NC(=O)CN(CCC(=O)O)C[C@@H]1CCCO1 736105752 IBRJGVIZTQJUSO-NSHDSACASA-N 313.354 -0.046 30 20 DBED COCCNC(=O)[C@H](C#N)C(=O)CCn1cc([N+](=O)[O-])cn1 741111066 FKRHUBVZATWBRQ-SNVBAGLBSA-N 309.282 -0.347 30 20 DBED C#CCNS(=O)(=O)N1CCN(Cc2cccc(OC)n2)CC1 761033090 QTDWTZKCESBQDO-UHFFFAOYSA-N 324.406 -0.325 30 20 DBED COCCN1C[C@H](C(=O)NS(=O)(=O)CCCC#N)CC1=O 776122501 GFMFVSPACFOIFB-SNVBAGLBSA-N 317.367 -0.769 30 20 DBED CN1C(=O)CN(NC(=O)C#Cc2ccc3c(c2)OCO3)C1=O 779542287 XFHXGTJKDILKSQ-UHFFFAOYSA-N 301.258 -0.308 30 20 DBED C#C[C@H](NC(=O)C(=O)N(C)C[C@H](O)C(F)(F)F)[C@H]1CCCO1 809312673 NSALTUBFPTURTD-AEJSXWLSSA-N 322.283 -0.335 30 20 DBED CCN1C(=O)[C@H]2CN(C(=O)[C@](C)(C#N)CC(=O)O)CCN2C1=O 820348237 MSCARGJMEQNAPX-OTYXRUKQSA-N 322.321 -0.514 30 20 DBED CCS(=O)(=O)NCCCn1cnc(-c2nn[nH]n2)c1C#N 825663863 YGQDYISLLXIBOK-UHFFFAOYSA-N 310.343 -0.736 30 20 DBED N#Cc1ncn(Cc2cc(=O)n3ccccc3n2)c1-c1nn[nH]n1 826388244 ONMRKQZLOUORQM-UHFFFAOYSA-N 319.288 -0.009 30 20 DBED C=C[C@@H](C)ONC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 846551380 SFEDGJRVMPQAAV-CHWSQXEVSA-N 311.382 -0.211 30 20 DBED C#CCCCS(=O)(=O)NCCCN1CCC[C@H]1C(N)=O 859283126 IDOZAGGCDOARNE-LBPRGKRZSA-N 301.412 -0.341 30 20 DBED C#CC[C@@H](COC)NC(=O)CNS(=O)(=O)CCOC(C)C 863800726 MTVZRXDKCJBWAM-LBPRGKRZSA-N 320.411 -0.515 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N1CCNC(=O)C[C@H]1C 875600198 WMCFQHDRBJLTPV-VXGBXAGGSA-N 309.366 -0.732 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N(C)Cc1cnn(C)c1 875601730 RCLDSAQHEPMNKT-CYBMUJFWSA-N 306.366 -0.077 30 20 DBED C#C[C@H](NC(=O)C(=O)NC[C@H]1CCCCCN1)[C@@H]1CCCO1 911148636 YWELOHUUIQSBCX-RDBSUJKOSA-N 307.394 -0.068 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccc(=O)n(C)c1 919204260 NDCMOMARPSWHCX-SECBINFHSA-N 307.306 -0.058 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCN(CC(=O)NC)C[C@@H]2C)nn1 943480509 DTMXOVIDOWAPOF-NWDGAFQWSA-N 320.397 -0.350 30 20 DBED N#Cc1ccc(C(=O)N2[C@H]3CCC[C@H]2CN(C(=O)C(N)=O)C3)[nH]1 952781570 DDUZAFKZGNOJBM-QWRGUYRKSA-N 315.333 -0.423 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@H]2CCOC2)C1 954630751 ILYXUHYYJQFRJX-HIFRSBDPSA-N 319.405 -0.210 30 20 DBED C=CC(C)(C)C(=O)N1CC(N(C)C(=O)C[C@H]2CC(=O)NC2=O)C1 954741500 OOGUXLHLBFWIKH-SNVBAGLBSA-N 321.377 -0.079 30 20 DBED C#CCN1C[C@H](CNC(=O)c2cnc(N(C)C)cn2)[C@@H](O)C1 958070080 VYVJNBQMIZMGKT-AAEUAGOBSA-N 303.366 -0.802 30 20 DBED C#CCCN1C[C@@H](O)[C@@H](CNC(=O)c2cc3n(n2)CCCO3)C1 958255138 VGIBAWCROHQWCW-GXTWGEPZSA-N 318.377 -0.289 30 20 DBED Cn1nnnc1CN1C[C@@H]2C(NC(=O)c3c[nH]c(C#N)c3)[C@H]2C1 958588264 YEDPXJQLRVOQHX-QWRGUYRKSA-N 312.337 -0.730 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)C(F)F)C1 961084613 AXJLLLJMTVGPDI-IMSYWVGJSA-N 304.293 -0.470 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CN(C(=O)C(C)(C)C(N)=O)C[C@H]2C1 961757147 DLHYZFOLFQJAFU-GARJFASQSA-N 306.366 -0.426 30 20 DBED N#CCN1C[C@H]2C(NC(=O)[C@H]3CCc4nnnn4CC3)[C@@H]2C1 961847568 PWWALKMFGKAWJA-HBNTYKKESA-N 301.354 -0.804 30 20 DBED CCn1ccnc1C(=O)N[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1O 962568738 VDHFREPAOLCTIE-MXWKQRLJSA-N 305.338 -0.636 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]2[C@H]1CCCN2C(=O)Cn1cnnn1 962792880 YDASWCPBGWBTBT-UTUOFQBUSA-N 317.353 -0.575 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@H](NC(=O)[C@@H]2[C@H]3COC[C@H]32)C1 969815688 CJYXGHFBJFJRNU-FHUSYTEZSA-N 308.378 -0.221 30 20 DBED C=C(Cl)CN1CC([C@H](C)NC(=O)[C@H]2CCS(=O)(=O)N2)C1 970897664 GFEAEEVPLWXUKJ-GXSJLCMTSA-N 321.830 -0.133 30 20 DBED CC#CCN1C[C@H]2CC[C@H]1CN2C(=O)c1cn(CC(N)=O)nn1 972146113 GBSAIULHQHYTBC-NWDGAFQWSA-N 316.365 -0.925 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)C[C@@H]3CCC(=O)N3C)C2)C1 972493364 XRWBPKGEBALPMP-WMLDXEAASA-N 319.405 -0.066 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)c3ccc(=O)n(C)n3)C2)C1 972663709 ASZWLMISWLAXAM-INIZCTEOSA-N 316.361 -0.670 30 20 DBED C=CCn1cc(C(=O)N[C@H]2C[C@H](NC(=O)c3cnon3)C2)nn1 973284533 BLXYWSHCVLCDEC-KYZUINATSA-N 317.309 -0.462 30 20 DBED O=C1NC[C@@H](C(=O)NC[C@@H]2CCCN(C(=O)C#CC3CC3)C2)N1 975492342 UELREJDXXNEUTB-STQMWFEESA-N 318.377 -0.564 30 20 DBED CN(C[C@@H]1CCN1C(=O)C#CC1CC1)C(=O)[C@H]1CCCNC1=O 977868099 ZAYOAROTSOIKPP-KBPBESRZSA-N 317.389 -0.015 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCN(C(=O)C(N)=O)C1 983208819 XFNCXFALDPDUKO-WOPDTQHZSA-N 309.366 -0.582 30 20 DBED CN(CC1CCN(C(=O)C(N)=O)CC1)C(=O)c1c[nH]c(C#N)c1 988616831 DEDQJAFAXQHUIL-UHFFFAOYSA-N 317.349 -0.318 30 20 DBED Cc1[nH]nc(C(=O)NC2CN(C(=O)c3c[nH]c(C#N)c3)C2)c1O 990863051 BLHYAZRWOFAOGW-UHFFFAOYSA-N 314.305 -0.122 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2CCN(C(=O)COC)C[C@@H]2O)c1 991766238 XWALHHDNQXJUAD-KGLIPLIRSA-N 317.345 -0.599 30 20 DBED C#CCN1CC[C@@]2(NC(=O)CN3CCNC(=O)C3)CCC[C@H]12 992085320 NPMPMXOUGFUEJQ-BBRMVZONSA-N 304.394 -0.835 30 20 DBED C[C@@H]1[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)CCCN1CC#N 993411451 ICAIYZLEWKTZTO-NEPJUHHUSA-N 319.365 -0.960 30 20 DBED C=CCN1CCC[C@H](NC(=O)c2cn(CC(N)=O)nn2)[C@H]1C 994471764 BIMKICFYNCSXPL-MNOVXSKESA-N 306.370 -0.468 30 20 DBED CC(=O)N1CCOC[C@H]1C(=O)N[C@@H](C)C1CCN(CC#N)CC1 997871824 PHNHXPODXWTPNS-WFASDCNBSA-N 322.409 -0.026 30 20 DBED CN1C(=O)CC[C@@H]1C(=O)NC1CN(C(=O)c2c[nH]c(C#N)c2)C1 998073619 LPIRXTHXWVGOQW-GFCCVEGCSA-N 315.333 -0.552 30 20 DBED C=CCN[C@@H]1CCCN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 1000480206 NJIPUODDXAKSEJ-LLVKDONJSA-N 316.365 -0.162 30 20 DBED COCC(=O)N1CC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1007566977 HFWSXWUVHZLESV-INIZCTEOSA-N 306.362 -0.124 30 20 DBED CC#CCN1CCC[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)C1 1009202385 JSKJUIMVDGIEHH-LLVKDONJSA-N 314.349 -0.365 30 20 DBED CC#CCN1CCC2(CC1)C[C@@H]2NC(=O)CN1CC(=O)NC1=O 1016883023 WNXGWXSMYOITCD-LBPRGKRZSA-N 318.377 -0.468 30 20 DBED C[C@@H](C#N)C(=O)N1CCCC[C@@H]1CN(C)C(=O)c1nnn(C)n1 1019797516 UEIQTILLYACCRE-WDEREUQCSA-N 319.369 -0.177 30 20 DBED C=CCN1CC[C@H](N[C@H]2C[C@@H](NC(=O)[C@@H]3CCNC3=O)C2)C1=O 1022540962 BASQLRQNFZFZEJ-XQHKEYJVSA-N 320.393 -0.854 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CN(C(=O)CC3CC3)C[C@H]2O)c1 1023327046 HIAGYOUMQXLVEW-CHWSQXEVSA-N 302.334 -0.012 30 20 DBED C#CCN1CCCC[C@@H]1CNC(=O)[C@@H]1COCCN1C(C)=O 1024806418 JRNJVEUFSXQEJD-CABCVRRESA-N 307.394 -0.162 30 20 DBED C#CCN[C@@H]1CC[C@H]2CN(C(=O)Cn3ncn(C)c3=O)C[C@H]21 1026298697 SNKYVBSOJDESTC-YNEHKIRRSA-N 303.366 -0.958 30 20 DBED Cc1cc2[nH]c(=O)c(C(=O)NC[C@@H]3CCN(CC#N)C3)cn2n1 1028868480 FHIQGYQBXOQZKU-NSHDSACASA-N 314.349 -0.094 30 20 DBED N#Cc1ccc(CN2CC(NC(=O)Cn3cnnn3)C2)c(F)c1 1030090437 MJEWECUVSMRKJB-UHFFFAOYSA-N 315.312 -0.316 30 20 DBED C=CCN1CC[C@@H](N2CC(CNC(=O)[C@H]3COCCO3)C2)C1=O 1031557077 KSZREXOKQJZXJT-ZIAGYGMSSA-N 323.393 -0.763 30 20 DBED C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)N1C(=O)CCC1=O 1032432427 UHNSMCNRSVRNET-AGIUHOORSA-N 303.362 -0.168 30 20 DBED C#CCN1CCCC[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)C1 1034523961 QRSPKHUVNARKPH-GFCCVEGCSA-N 306.366 -0.516 30 20 DBED C#CCN1CCO[C@H](CNC(=O)[C@@H]2CCc3nc[nH]c3C2)C1 1035575110 PUNKJBCBIVOPKK-CHWSQXEVSA-N 302.378 -0.035 30 20 DBED C=CCN1CCO[C@H](CNC(=O)c2cncc(C(N)=O)c2)C1 1035613008 GBYJGKUOILCAOJ-CYBMUJFWSA-N 304.350 -0.203 30 20 DBED N#CCN1CC[C@@H]2CN(C(=O)CN3CCC(=O)NC3=O)CC[C@@H]21 1036865735 RRJMCEVRDLZQPO-NEPJUHHUSA-N 319.365 -0.625 30 20 DBED C=CCN1CC[C@@H](N2CC[C@H]2CNC(=O)c2cnn(C)n2)C1=O 1038804660 NQPCAMNBTKFIIP-WCQYABFASA-N 318.381 -0.594 30 20 DBED C#CCN1CC[C@@H]1CNC(=O)c1cn(C[C@@H]2CCOC2)nn1 1038869521 QLYJPQMCQUXOCK-QWHCGFSZSA-N 303.366 -0.248 30 20 DBED CC(C)C#CC(=O)NC[C@]1(O)CCN(C(=O)c2cn(C)nn2)C1 1039664707 WBXRDZZMLNVOSI-OAHLLOKOSA-N 319.365 -0.832 30 20 DBED C=CCN1[C@H]2CCC[C@H]1CN(C(=O)CN1CC(=O)NC1=O)C2 1039946300 MKKCNVIKJUWEPY-RYUDHWBXSA-N 306.366 -0.211 30 20 DBED C=C(C)CCC(=O)NC[C@]1(O)CCN(C(=O)Cc2nc[nH]n2)C1 1039987412 QKJUTIIHUJICMM-OAHLLOKOSA-N 321.381 -0.217 30 20 DBED CCc1nc(C#N)cc(N2C[C@@H](O)[C@H](NC(=O)C3CC3)C2)n1 1040893244 UDYNBAUSENTMJE-VXGBXAGGSA-N 301.350 -0.014 30 20 DBED Cc1nc[nH]c1C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1O 1041088353 VYXWKRVLLMKPDA-NXEZZACHSA-N 313.321 -0.641 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)[C@H]2CCCOC2)C1 1042802347 ILIQNXUCKJJZFZ-ZDUSSCGKSA-N 308.378 -0.094 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)[C@H](OC)C2CC2)C1 1043039360 FODHLFIHYGDTRG-WCQYABFASA-N 324.377 -0.861 30 20 DBED C[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1N=c1cc[nH]cc1C#N 1043337469 MCADSHWPFFDZST-ZWNOBZJWSA-N 312.337 -0.679 30 20 DBED C=C(C)C[C@H](C)C(=O)N1CC(O)(CNC(=O)[C@@H]2CCC(=O)N2)C1 1044269103 HWZHLBJAMVBIBO-RYUDHWBXSA-N 323.393 -0.443 30 20 DBED C=CCCCC(=O)NCC1(O)CN(C(=O)CCn2ccnn2)C1 1045451290 PTGUDTBKFRXRNQ-UHFFFAOYSA-N 321.381 -0.286 30 20 DBED C=C[C@@](C)(CC)C(=O)NCC1(O)CN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 1045782700 JPTZKKLMVPBICX-ZETOZRRWSA-N 323.393 -0.600 30 20 DBED C[C@]1(NC(=O)c2ccc(C#N)[nH]2)CCN([C@@H]2CCNC2=O)C1 1046249681 ZZLQOUOQYYTBFF-DOMZBBRYSA-N 301.350 -0.031 30 20 DBED C=CCN1C[C@H]2C[C@@H](NC(=O)Cn3ncn(C)c3=O)C[C@H]1C2 1047096595 BSSRECGWMCZEMF-YNEHKIRRSA-N 305.382 -0.263 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C(N)=O)o2)C1 1047451788 MBTBHVFLNPCQAF-QWRGUYRKSA-N 305.334 -0.481 30 20 DBED C=CCOCC(=O)N(C)[C@H]1CN(C(=O)c2ccc[nH]2)C[C@@H]1O 1048551546 KZAZBOIEKCGWQB-STQMWFEESA-N 307.350 -0.139 30 20 DBED CN(C(=O)C#CC1CC1)[C@H]1CN(C(=O)[C@@]23COC[C@@H]2C3)C[C@@H]1O 1048828477 POOMQDWSUYUQOJ-WSMBLCCSSA-N 318.373 -0.534 30 20 DBED C=CCn1cc(C(=O)N2C[C@@H]3CN([C@H](C)C(N)=O)C[C@@H]3C2)nn1 1049103118 GBAVWPJWQXGLRU-UTUOFQBUSA-N 318.381 -0.658 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCCF)C1 1049220960 YVIILQZENFNJQJ-AVGNSLFASA-N 314.357 -0.196 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)Cc2cc[nH]n2)C[C@@H]1O 1049389228 VIQXTBCOGGGQNR-DLOVCJGASA-N 305.338 -0.858 30 20 DBED COc1nc(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)C#N)C2)co1 1049401663 IREJCFGWJWJBHA-MIMYLULJSA-N 322.321 -0.513 30 20 DBED C=CCN1CCOC[C@@H]1CNC(=O)c1cn(CCOC)nn1 1050912038 YSGINKSBZNKIEW-LBPRGKRZSA-N 309.370 -0.459 30 20 DBED Cc1c(CC(=O)N2CCOC3(CN(CC#N)C3)C2)cnn1C 1053281232 VGVMVPLOFOIVEL-UHFFFAOYSA-N 303.366 -0.292 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)[C@H]3CCCCN3C(N)=O)CO2)C1 1053980555 QXWTYHJWSSLZAL-QWHCGFSZSA-N 320.393 -0.488 30 20 DBED Cn1nnc(C(=O)N[C@H]2[C@@H]3CN(c4ccc(C#N)nc4)C[C@@H]32)n1 1056372908 QFVLHKUATFLJLQ-GDNZZTSVSA-N 310.321 -0.659 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCN(CCO)C(=O)c1ccnn1C 1057152671 NAQODHSNPZLJRX-OAHLLOKOSA-N 324.381 -0.702 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)CO[C@H](C)CC 1057193284 CVMTTWFOFAPRJQ-CYBMUJFWSA-N 316.398 -0.059 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)CC(C)(C)O 1057193574 JVDPJLMXSLVRTD-UHFFFAOYSA-N 302.371 -0.713 30 20 DBED N#Cc1nccnc1N1CCCN(C(=O)[C@H]2CCNC2=O)CC1 1057205060 XKCVSPUPNUBGOR-NSHDSACASA-N 314.349 -0.477 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)[C@H]1CCC(=O)N1C 1057445400 TVMBDEAYNPXWML-CYBMUJFWSA-N 323.393 -0.652 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)C1(C(=O)NC)CC1 1058076179 WPHWZRNEFCHWRP-UHFFFAOYSA-N 311.382 -0.584 30 20 DBED C=CC(C)(C)C(=O)NCCN(CCO)C(=O)[C@@H]1CCC(=O)N1 1058243515 LSDRSMOTGXPYNN-NSHDSACASA-N 311.382 -0.586 30 20 DBED C=CCOCC(=O)N1CC[C@H](CCNC(=O)Cc2nc[nH]n2)C1 1059338020 WHFNBFRJTMCYJW-LBPRGKRZSA-N 321.381 -0.095 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1C[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1 1059803019 QZMFHUIOHHBQMF-JFGNBEQYSA-N 300.322 -0.884 30 20 DBED C#CCCCCC(=O)NC[C@@H]1COCCN1C(=O)CNC(C)=O 1061515946 SUYJFZBHPVVIQV-CQSZACIVSA-N 323.393 -0.340 30 20 DBED C#CCCCC(=O)NC[C@H]1COCCN1C(=O)c1cnn(C)n1 1061539840 CZVDOZKVLDBYHD-LBPRGKRZSA-N 319.365 -0.424 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)Cc1ncc[nH]1 1061815663 AGAOYDAKSTUXSS-GHMZBOCLSA-N 305.338 -0.545 30 20 DBED Cc1ccnc(C(=O)N2CCOC[C@@H]2CNC(=O)[C@@H](C)C#N)n1 1061847142 JJPZWNIHSDYXBR-JQWIXIFHSA-N 317.349 -0.098 30 20 DBED N#Cc1sc(N2C[C@@H]3C[C@H]2CN3C(=O)C(N)=O)nc1Cl 1062565584 DGMHHNKUAHKGCU-WDSKDSINSA-N 311.754 -0.057 30 20 DBED C=CCCC(=O)N1CCO[C@H](CNC(=O)[C@@]2(C)CNC(=O)C2)C1 1064961848 SLRDBWAPOGEINJ-MLGOLLRUSA-N 323.393 -0.178 30 20 DBED C=C(C)CCC(=O)N1CCO[C@H](CNC(=O)CNC(N)=O)C1 1065220278 MHVSZTMQWDLNDH-LLVKDONJSA-N 312.370 -0.645 30 20 DBED CNC(=O)NCCC(=O)N(C)CCCN(C)C(=O)[C@@H](C)C#N 1067334468 SCZQJVAGRIIUJI-NSHDSACASA-N 311.386 -0.228 30 20 DBED C=C(C)CCC(=O)N1CCOC2(C1)CN(C(=O)CNC(C)=O)C2 1068403075 ZYGFROWNNWUUDO-UHFFFAOYSA-N 323.393 -0.081 30 20 DBED CC(C)C#CC(=O)N[C@H]1COC2(C1)CN(C(=O)c1nc[nH]n1)C2 1068859482 RYPVBDYASSKWPW-LLVKDONJSA-N 317.349 -0.436 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1COC2(C1)CN(C(=O)c1ccn(C)n1)C2 1069009378 ZAKLRBPOEZAHJN-QWRGUYRKSA-N 317.349 -0.321 30 20 DBED C#CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)Cn2ccnc2)C1 1070109320 QYSJGBVQTPPQTP-KGLIPLIRSA-N 313.365 -0.460 30 20 DBED C#CCN1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CNC(=O)N2)C1 1070422763 HZIRAISCETXRKD-ZYHUDNBSSA-N 316.365 -0.870 30 20 DBED CC#CCN1CCNC(=O)CCN(C(=O)c2ccnn2C)CC1 1070947499 YWOYLAGWLMLEGJ-UHFFFAOYSA-N 317.393 -0.293 30 20 DBED C=CCCC(=O)N1C[C@@H](NC(=O)C2CS(=O)(=O)C2)[C@H](C)C1 1071790154 DLWCZKWVHUQJQW-ZYHUDNBSSA-N 314.407 -0.040 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H](C)[C@@H](NC(=O)c2cc[nH]n2)C1 1071932300 HHVQLAXTHFYMPS-JQWIXIFHSA-N 317.349 -0.874 30 20 DBED C[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)CC(=O)N(C)C 1072042577 MPOCKDHODPYHOD-WCQYABFASA-N 305.378 -0.159 30 20 DBED C#Cc1cncc(C(=O)N2C[C@H](C)[C@H](NC(=O)CC(N)=O)C2)c1 1072706841 RAOHFQZXNYUSOG-GXFFZTMASA-N 314.345 -0.485 30 20 DBED N#CCN1CCC2(C1)CN(C(=O)c1ccoc1CC(N)=O)C2 1072921953 WYJRQAWKRDQZQY-UHFFFAOYSA-N 302.334 -0.021 30 20 DBED C[C@@H](C#N)C(=O)NC1(C)CCN(C(=O)[C@H]2COC(=O)N2)CC1 1072993563 JPUOGSSORSXMHD-VHSXEESVSA-N 308.338 -0.248 30 20 DBED CC(C)N1CCO[C@@H](C(=O)NC[C@@H]2CN(CC#N)CCCO2)C1 1073741490 UNLSSSPHKBSULZ-HUUCEWRRSA-N 324.425 -0.174 30 20 DBED CN(C)c1ccc(C(=O)NC[C@@H]2CN(CC#N)CCCO2)nn1 1073857098 ZRTWWVRYSNKUFD-GFCCVEGCSA-N 318.381 -0.113 30 20 DBED CC(=O)NCC(=O)N[C@@H](C)CCNC(=O)c1ccc(C#N)[nH]1 1076177531 GAHGHZRBZZSBLE-VIFPVBQESA-N 305.338 -0.353 30 20 DBED C#CCO[C@H](C)C(=O)NCC[C@H](C)NC(=O)CCc1nc[nH]n1 1076510588 PNMBMGTWIZBIDX-NWDGAFQWSA-N 321.381 -0.213 30 20 DBED C[C@@H](CCNC(=O)C[C@@H]1CCNC1=O)NC(=O)C#CC1CC1 1076848744 AGRCBSWSOWUXRA-AAEUAGOBSA-N 305.378 -0.063 30 20 DBED C=CCO[C@H](C)C(=O)NCC[C@H](C)NC(=O)Cn1ncnn1 1077068075 SDTHYLZBMQTFNG-WDEREUQCSA-N 310.358 -0.725 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)c2cccc(C(N)=O)c2)C1 1077246087 OJMAUNWVGFLBSA-ZIAGYGMSSA-N 301.346 -0.416 30 20 DBED C[C@@H](CCNC(=O)Cn1cncn1)NC(=O)CSCC#N 1078570720 WRQZSGBEBSHQFR-JTQLQIEISA-N 310.383 -0.454 30 20 DBED C#CCN[C@@H]1C[C@H](NC(=O)CN2CC(=O)N(C)C2=O)C12CCC2 1078782645 CYUBSGBLYINFSP-NEPJUHHUSA-N 318.377 -0.469 30 20 DBED C=CCCOCC(=O)N1CCC[C@@H](N(C)C(=O)C(N)=O)CC1 1079055452 ZIMNKYCNGKPFPJ-GFCCVEGCSA-N 311.382 -0.096 30 20 DBED C=C[C@@](C)(O)CC(=O)N(CC)C1CN(C(=O)[C@@H]2CNC(=O)N2)C1 1079686852 KZSDGDGIIDZNGR-XHDPSFHLSA-N 324.381 -0.946 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)Cn2ccnc2)C[C@H]1O 1081341815 UYFRATGFFWPUOU-CHWSQXEVSA-N 322.365 -0.979 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2cc[nH]c2)C[C@@H]1O 1081346885 NRRLIAFGUMQASN-STQMWFEESA-N 307.350 -0.234 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)c2cnn(C)c2)C[C@H]1O 1081461398 UCFKCMJPMMCWCW-TZMCWYRMSA-N 318.377 -0.371 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1CC(=O)N(C)C 1085648252 HTYKWGWNIORPIG-GJZGRUSLSA-N 320.437 -0.295 30 20 DBED C=C(Cl)CN1CC[C@H](NC(=O)CN2CCCC2=O)[C@H](O)C1 1090060501 LAPWOTNRMAZZMX-NWDGAFQWSA-N 315.801 -0.087 30 20 DBED CCO[C@H](C)C(=O)N[C@@H]1CN(c2nc(C)cc(C#N)n2)C[C@H]1O 1090392110 PJOOMIABUMXALJ-RAIGVLPGSA-N 319.365 -0.253 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cnc3c(c2)nnn3C)[C@H](O)C1 1090441270 JWLRLLAWMATUOP-WCQYABFASA-N 314.349 -0.839 30 20 DBED C[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1NC(=O)CCNC(N)=O 1090711498 URTIGKJAYWXFBR-MWLCHTKSSA-N 317.353 -0.652 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2ccc(N(C)C)nn2)[C@H](O)C1 1090734375 LMOPCGBLFZXZFJ-DGCLKSJQSA-N 303.366 -0.659 30 20 DBED C#CCN1CC[C@H](NC(=O)c2ccc(N(C)C)nn2)[C@H](O)C1 1090734376 LMOPCGBLFZXZFJ-WCQYABFASA-N 303.366 -0.659 30 20 DBED C#CCN1CC[C@@H](NC(=O)Cc2ccc(C(N)=O)cc2)[C@@H](O)C1 1090840859 GVERUGWQPDRPSZ-CABCVRRESA-N 315.373 -0.487 30 20 DBED COCCCC(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@@H]1O 1091089885 XEFYXNXVABGMST-NEPJUHHUSA-N 305.338 -0.559 30 20 DBED COCC(C)(C)C(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1091160978 WLPCOXSTGXMKJA-NEPJUHHUSA-N 319.365 -0.313 30 20 DBED C=C(Cl)CNC1CC(CNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 1091260497 BRDGRSBYLCTDNX-RTBKNWGFSA-N 314.773 -0.179 30 20 DBED N#Cc1ccc(N[C@H]2C[C@H](CNC(=O)Cn3cncn3)C2)nn1 1091457766 VYQLJLKAKJTHOP-UMSPYCQHSA-N 312.337 -0.053 30 20 DBED N#Cc1cnc(N2C[C@H]3[C@H](NC(=O)CCc4cnn[nH]4)[C@H]3C2)cn1 1093361830 QYCKCFVTVTWGNZ-JYAVWHMHSA-N 324.348 -0.350 30 20 DBED C=CCCn1cc(C(=O)NCCN=c2cc[nH]c(C#N)n2)nn1 1094188606 FCGLLYUCXJRSEF-UHFFFAOYSA-N 312.337 -0.220 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)Cc3cnoc3)CC2=O)C1 1094779529 TVAORAKFFJNBAX-GFCCVEGCSA-N 302.334 -0.748 30 20 DBED Cc1cc(C#N)nc(N(C)CCCNC(=O)CNC(N)=O)n1 1095468952 LNFJQRYORYWIKT-UHFFFAOYSA-N 305.342 -0.733 30 20 DBED CC(=O)N(C)CC(=O)N[C@@H]1CCN(c2nc(C)cc(C#N)n2)C1 1096329429 PDCCTZVNRRFBES-GFCCVEGCSA-N 316.365 -0.170 30 20 DBED CC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H]1COCCN1C(C)=O 1096575736 WMKZYOWZHZDPBJ-UGUYLWEFSA-N 319.405 -0.022 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H]1COCCN1C(C)=O 1096575763 XFQWFUCTFCZUJI-QPSCCSFWSA-N 305.378 -0.412 30 20 DBED N#Cc1nccnc1N[C@@H](CNC(=O)Cn1cncn1)C1CC1 1096675868 MOTJXRCQPPDFOF-LBPRGKRZSA-N 312.337 -0.053 30 20 DBED C[C@H](CC(N)=O)C(=O)NC[C@H](N=c1cc[nH]c(C#N)n1)C1CC1 1096768010 CSCKOSPAKHSYHT-KOLCDFICSA-N 316.365 -0.412 30 20 DBED COC(=O)NCC(=O)N1CC[C@H](Nc2ccc(C#N)nn2)C1 1096919678 CHIPQQJHVOICPF-JTQLQIEISA-N 304.310 -0.283 30 20 DBED CS(=O)(=O)CC(=O)N[C@H]1C[C@H](Nc2ccc(C#N)nn2)C1 1096996346 SQYPWBQRWKKRKI-MGCOHNPYSA-N 309.351 -0.548 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1C[C@@H](NC(=O)C(=O)NCC2CC2)C1 1097209381 BNVVDVZCXWYKMO-BETUJISGSA-N 313.361 -0.040 30 20 DBED C=CCCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cn1ncn(C)c1=O 1097377977 IPXWOCGHGZJVLQ-UPJWGTAASA-N 305.382 -0.121 30 20 DBED CC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1nnc(O)nc1O 1097445617 FPFLFZURNKTNTG-BBBLOLIVSA-N 303.322 -0.359 30 20 DBED CNC(=O)NCCC(=O)NC[C@@H](C)N=c1cc[nH]cc1C#N 1097806902 YGBIYTNAKQQURR-SNVBAGLBSA-N 304.354 -0.389 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(CC(=O)NC(C)C)C[C@@H]1O 1099741245 PYRCVXQVCLMAEL-STQMWFEESA-N 313.398 -0.735 30 20 DBED C[C@H](CCNC(=O)[C@H]1CCC(=O)NC1)N=c1cc[nH]c(C#N)n1 1099775599 WHMPUTISVQLMOW-MNOVXSKESA-N 316.365 -0.397 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)Cc2cncnc2)[C@@H](O)C1 1099796356 BNMXUYLRPLMPNA-CABCVRRESA-N 320.393 -0.227 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1CCN(Cc2nnn(C)n2)C[C@@H]1O 1099944904 SGAUFCDNRJSWSN-MNOVXSKESA-N 308.386 -0.526 30 20 DBED C=C(Cl)CN1CC[C@H](NC(=O)COCCN(C)C)[C@H](O)C1 1100073940 HQYUNNTUMRIXMD-QWHCGFSZSA-N 319.833 -0.132 30 20 DBED N#CCNC(=O)CNC1CC(CNC(=O)c2ccnc(F)c2)C1 1100162749 FBFRIARHLYJWJV-UHFFFAOYSA-N 319.340 -0.042 30 20 DBED C=CCOCCNC1CC(CNC(=O)Cn2cnnc2O)C1 1100269811 PHEHLKYWPBPEHM-UHFFFAOYSA-N 309.370 -0.329 30 20 DBED C#CCOCCC(=O)NCC1CC(NCc2ncnn2C)C1 1100325169 VUTFPVRSXFVNHD-UHFFFAOYSA-N 305.382 -0.161 30 20 DBED CC(C)(C(N)=O)C(=O)NC[C@@H]1CCN(c2ccnc(C#N)n2)C1 1101022954 VRAQUOFXOKECBE-JTQLQIEISA-N 316.365 -0.198 30 20 DBED C=CCNC(=O)CN1C[C@@H]2CN(C(=O)c3nc[nH]n3)C[C@]2(C)C1 1101396854 NYSHQILKHCQEPQ-ABAIWWIYSA-N 318.381 -0.499 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)C(C)(C)C(N)=O)c3nccn32)C1 1101632537 KOYCACSXOFJJJT-NSHDSACASA-N 315.377 -0.400 30 20 DBED CNC(=O)NC(=O)CN1C[C@@H](C)[C@H](CNC(=O)C#CC(C)C)C1 1101946800 KQGWTMCEGBUZJZ-CHWSQXEVSA-N 322.409 -0.215 30 20 DBED C#CCNC(=O)CC(=O)N(C)[C@H]1CCN(c2ncc(F)cn2)C1 1102693977 RMYGKSQHAPTWTJ-LBPRGKRZSA-N 319.340 -0.208 30 20 DBED CO[C@H](C)CNCc1cn(C2CN(C(=O)[C@H](C)C#N)C2)nn1 1105190378 VKHXFJHOFWXJKJ-GHMZBOCLSA-N 306.370 -0.054 30 20 DBED Cc1c(C(=O)NC[C@@H](O)CN=c2cc[nH]c(C#N)n2)cnn1C 1105749603 BRCWIBWTCLWORN-JTQLQIEISA-N 315.337 -0.985 30 20 DBED N#Cc1nc(=NC[C@H](O)CNC(=O)/C=C/c2ccc[nH]2)cc[nH]1 1105812166 BDFQQVJESFRXDJ-PCAWENJQSA-N 312.333 -0.299 30 20 DBED CN1CC[C@H](CC(=O)NC[C@H](O)CN=c2cc[nH]cc2C#N)C1 1105913665 GKPMSDQGNYSGGA-TZMCWYRMSA-N 317.393 -0.394 30 20 DBED C[C@@H]1CN(C(=O)[C@@]2(C)CCOC2)C[C@H]1CNCC(=O)NCC#N 1106801032 TYDSRVBVMNRCJW-IOASZLSFSA-N 322.409 -0.263 30 20 DBED COCC(=O)N(C)CC(=O)N[C@H](C)CNc1ccc(C#N)cn1 1108173909 FEWYRUBAAYWGOJ-LLVKDONJSA-N 319.365 -0.025 30 20 DBED CNC(=O)NCCC(=O)N[C@@H](C)CN(C)c1nccnc1C#N 1108934018 ASNUXIKZWHIZTJ-JTQLQIEISA-N 319.369 -0.392 30 20 DBED CC(=O)NCC(=O)N[C@H]1[C@H]2C[C@H]1N(c1nc(C)cc(C#N)n1)C2 1109670855 NABYKJIHPYYMPB-SUHUHFCYSA-N 314.349 -0.514 30 20 DBED N#Cc1nccc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)C2(C(N)=O)CC2)n1 1109739581 CPYWCJKSVSIUCZ-PTRXPTGYSA-N 312.333 -0.693 30 20 DBED N#Cc1nccnc1N1CC[C@@](O)(CNC(=O)[C@@H]2CCCO2)C1 1111030943 ACOIVJSRFMYWSZ-SWLSCSKDSA-N 317.349 -0.415 30 20 DBED CN1CCC[C@@H]1C(=O)N(CCO)CCN=c1cc[nH]c(C#N)n1 1111429678 VYLCUXZIBVWHNR-GFCCVEGCSA-N 318.381 -0.903 30 20 DBED CC1(Nc2ccc(C#N)nn2)CCN(C(=O)CNC(N)=O)CC1 1112344591 KMOKPXZNAQARAK-UHFFFAOYSA-N 317.353 -0.190 30 20 DBED C#CCNC(=O)CC(=O)N1CCN([C@@H](C)c2noc(C)n2)CC1 1112777572 COPDOBLXVQXAME-NSHDSACASA-N 319.365 -0.277 30 20 DBED COCC#CCN1CCN(C(=O)[C@@H]2CC(=O)N[C@H](C)C2)CC1 1113054033 VJLACHQZCKDTEJ-KGLIPLIRSA-N 307.394 -0.305 30 20 DBED C[C@H](NC(=O)Cn1ncnn1)[C@@H](C)Nc1cncc(C#N)n1 1113194458 RFSYXYQRIYLSAA-BDAKNGLRSA-N 301.314 -0.660 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@@H](C)n3cccn3)[C@H]2C1 1113892883 FNLMSMVHVDDTQP-CXTNEJHOSA-N 315.377 -0.760 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1[C@@H]2CN(CCCN3C(=O)CNC3=O)C[C@@H]21 1114067059 MERBSZUVOWKAAB-MEWQQHAOSA-N 319.365 -0.866 30 20 DBED C#CCCCCC(=O)NC1[C@@H]2CN([C@@H](C)C(=O)NC(N)=O)C[C@@H]12 1114163459 ICAZYHADMJBWPS-QJPTWQEYSA-N 320.393 -0.190 30 20 DBED C[C@H](NC(=O)c1ccoc1)C(=O)NC1[C@@H]2CN(CC#N)C[C@@H]12 1114322401 YYCFRJDPOAUGSC-MVWJERBFSA-N 302.334 -0.032 30 20 DBED CC1(C)CN(c2cnc(C#N)cn2)C[C@@H]1NC(=O)CNC(N)=O 1114424434 XLTBMYSMUWBZMA-JTQLQIEISA-N 317.353 -0.652 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)c3ncc(OC)cn3)[C@H]2C1 1114543080 OJGUKJFFVLYFTM-WDNDVIMCSA-N 316.361 -0.205 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)c3conc3C)[C@@H]2C1 1114760993 DKRZJFWVYHQMLZ-GHMZBOCLSA-N 302.334 -0.608 30 20 DBED N#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@@H]3C[C@H]3C3CC3)[C@H]2C1 1114952240 QUUGGLIZVUBWBX-GGAZOKNXSA-N 302.378 -0.281 30 20 DBED CC[C@@H](C)C(=O)NCC(=O)N[C@H]1[C@@H]2CN(CC#CCOC)C[C@@H]21 1115255122 XAVUUWODFQOQEM-NYTXWWLZSA-N 321.421 -0.155 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)Cc3ccc[nH]3)[C@H]2C1 1115268556 YJGHXPNCEKIZRG-UBHSHLNASA-N 314.389 -0.259 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@H](C)OCC=C)[C@H]2C1 1115332871 QSKWAPJYEYLJBM-RMRHIDDWSA-N 307.394 -0.074 30 20 DBED N#Cc1cnc(N[C@@H](CO)CNC(=O)CCCCC(N)=O)cn1 1122045405 SLFPXIZXVHFMQP-LLVKDONJSA-N 320.353 -0.717 30 20 DBED N#Cc1nccnc1N[C@H](CO)CNC(=O)c1n[nH]cc1F 1122494066 MEJJBYQNIHIBOI-ZETCQYMHSA-N 305.273 -0.587 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)CCSC 1123192696 ZWCPOCGTBHIOFT-UHFFFAOYSA-N 302.400 -0.543 30 20 DBED CC(=O)N(C)CC(=O)N(C)C[C@@H](O)CNc1ccc(C#N)cn1 1124111205 DFKGNRJZGMZMGU-ZDUSSCGKSA-N 319.365 -0.337 30 20 DBED CCNC(=O)CC(=O)N(C)C[C@H](O)CNc1cncc(C#N)n1 1124315562 XOJDHRXRZVUDMA-LLVKDONJSA-N 320.353 -0.894 30 20 DBED C=CCCO[C@@H](C)C(=O)NCCN[C@H](C)C(=O)NC(N)=O 1124495912 SUPPOSXMDCYNGB-ZJUUUORDSA-N 300.359 -0.743 30 20 DBED CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)c1ccc(C#N)[nH]1 1125776038 FLSRLZCIJMHFIF-SECBINFHSA-N 320.353 -0.560 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)[C@H]1CC1(F)F 1126787380 FKTGTBYHWSATHT-RKDXNWHRSA-N 318.324 -0.252 30 20 DBED C=CCC[C@H](C)NCCNC(=O)CN(C)S(=O)(=O)N(C)C 1127099081 HVQLVHCMEKMETE-LBPRGKRZSA-N 320.459 -0.215 30 20 DBED C=CCN1CCn2ncc(CNC(=O)CCNC(=O)NC)c2C1 1128346916 GYHLRMACPRRXFN-UHFFFAOYSA-N 320.397 -0.180 30 20 DBED C=CCN[C@@H]1CN(C(=O)C(=O)NCC2CC2)C[C@@H]1n1ccnn1 1130062405 DKMSIOTUXKMVIU-OLZOCXBDSA-N 318.381 -0.668 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)c1n[nH]c2c1CCC2 1130738985 VLZYXHVIVJVUOR-JTQLQIEISA-N 305.382 -0.092 30 20 DBED CC#CCN[C@@H]1CCO[C@H]1C1CCN(C(=O)CNC(N)=O)CC1 1131418878 DZDIJNBXTLNNQU-HIFRSBDPSA-N 322.409 -0.336 30 20 DBED C#CCNC(=O)CN1C[C@H](NC(=O)c2cnnn2C)CC[C@H]1C 1132003458 VSBYNONUGHCKNA-VXGBXAGGSA-N 318.381 -0.853 30 20 DBED CNC(=O)NCCC(=O)N[C@@H]1CC[C@@H](C)N(CC#CCOC)C1 1132012936 FCPGSZMUJVYLQQ-ZIAGYGMSSA-N 324.425 -0.076 30 20 DBED C[C@@H]1CC[C@@H](NC(=O)CC2(O)CCC2)CN1CC(=O)NCC#N 1132017391 OSLKISQWBQVXBP-CHWSQXEVSA-N 322.409 -0.100 30 20 DBED C[C@H]1CCN(C(=O)CN2CCOCC2=O)C[C@H]1CNCC#N 1132902896 YELKYUQDPAUHDJ-QWHCGFSZSA-N 308.382 -0.557 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)CSCC#N)NCC(=O)NC(N)=O 1133735146 BFLDYXTYXSKLKI-DTWKUNHWSA-N 315.399 -0.689 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)c1nc(C)c[nH]1 1135065224 ZYYVQWYVCZBWAY-JTQLQIEISA-N 322.369 -0.562 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1ccnc(NC(C)=O)c1 1135580173 UDIFNKRVUHIMKN-UHFFFAOYSA-N 319.365 -0.338 30 20 DBED COCC#CCN1CCC2(C1)CN(C(=O)Cn1nccn1)C2 1147624903 LRWLFZDTVZIDPM-UHFFFAOYSA-N 303.366 -0.538 30 20 DBED COCC#CCN1CCCO[C@@H](CNC(=O)[C@@H]2CCOC2)C1 1149330616 LYOUAANUMPGVRS-CABCVRRESA-N 310.394 -0.120 30 20 DBED COCC#CCN1CCCO[C@H](CNC(=O)[C@H]2CCOC2)C1 1149330619 LYOUAANUMPGVRS-LSDHHAIUSA-N 310.394 -0.120 30 20 DBED C=CCNC(=O)CNCCNC(=O)CNC(=O)c1cccs1 1149858804 IRYJFIGIIRNSII-UHFFFAOYSA-N 324.406 -0.514 30 20 DBED C#CCCN1CCC(CCOC)(NC(=O)CNC(N)=O)CC1 1150937791 NIZLDYDFYNZCMO-UHFFFAOYSA-N 310.398 -0.335 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@@H](C)n1nc(C)cc1C 1153301716 RDCJBYFHDRWMDI-CYBMUJFWSA-N 305.382 -0.484 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)Cc1cnc[nH]1 1155460119 FBKJONSHAUQGDA-GFCCVEGCSA-N 305.382 -0.472 30 20 DBED C#CCCN(CC)[C@H](C)CNC(=O)CCn1cc[nH]c(=O)c1=O 1155850995 PUBQOSOKTJDRFN-CYBMUJFWSA-N 320.393 -0.223 30 20 DBED CC#CCN1CC=C(CCNC(=O)CN2CCNC(=O)C2)CC1 1160860718 NDSCISBJSJTOTK-UHFFFAOYSA-N 318.421 -0.420 30 20 DBED C#CCN1CCC(CNC(=O)[C@H]2CC[C@H]2C(N)=O)(COC)CC1 1162401724 UOZYQISRXDGINE-KGLIPLIRSA-N 321.421 -0.024 30 20 DBED N#CCNC(=O)CNCCCNC(=O)[C@H]1Cc2cccnc2C1 1174746295 QSRLLTWQWDOPIL-ZDUSSCGKSA-N 315.377 -0.468 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)C(C)(C)NC(=O)NC)C[C@@H]21 1177156518 JLOKKUJVWNJVIK-QWHCGFSZSA-N 322.409 -0.371 30 20 DBED C#CCCNC[C@H]1C[C@H]2CC[C@H]1N(C(=O)Cn1cnnn1)C2 1177595136 SRNRZWZTAOTTRQ-MGPQQGTHSA-N 302.382 -0.087 30 20 DBED C[C@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)[C@@]1(F)CCOC1 1179399494 WDQZIXUCECECLS-COPLHBTASA-N 312.345 -0.666 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)CN2CC[C@@H](C)C2)[C@H]1C 1179539300 UUMIPMXBHGBRLH-ILXRZTDVSA-N 320.437 -0.343 30 20 DBED N#Cc1cccc(CN[C@@H]2CCN(C(=O)CNC(N)=O)C2)c1 1180897548 LYVXDLNFODHJPZ-CYBMUJFWSA-N 301.350 -0.083 30 20 DBED COCC#CCNC[C@]1(C)CN(C(=O)c2nnn(C)n2)C[C@H]1C 1182278105 RZKKBANUNPMTJN-IUODEOHRSA-N 320.397 -0.452 30 20 DBED O=C(C#CC1CC1)N1CC[C@@H](NCCCN2C(=O)CNC2=O)C1 1182414223 HCXISWPKKRQDCJ-CYBMUJFWSA-N 318.377 -0.468 30 20 DBED CC(C)C#CC(=O)N1CC[C@@H](NCCNS(C)(=O)=O)C1 1182432342 WNNDZFXQASEHKB-GFCCVEGCSA-N 301.412 -0.615 30 20 DBED C=CCOCCN[C@@H]1CCN(C(=O)COCc2ncnn2C)C1 1186703840 RLHUOJLFNCCQKU-CYBMUJFWSA-N 323.397 -0.275 30 20 DBED CCNC(=O)CCC(=O)N1CC[C@@H](N(C)CC(=O)NCC#N)C1 1189344883 HTNPKMVOLVAJTA-GFCCVEGCSA-N 323.397 -0.925 30 20 DBED C=C(C)CN(C)[C@@H]1CCN(C(=O)CNC(=O)CNC(C)=O)C1 1190989751 UDQXJSJWWJFGPD-CYBMUJFWSA-N 310.398 -0.653 30 20 DBED C=CCCO[C@H](C)C(=O)N[C@@H]1CN(Cc2ncnn2C)C[C@H]1O 1191608136 KHNDZTZNQMXCLD-JHJVBQTASA-N 323.397 -0.542 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(Cc2cnnn2CC)C[C@H]1O 1191807149 KWGRFUXHXWXVEM-CHWSQXEVSA-N 309.370 -0.838 30 20 DBED CN(CC(=O)NCC#N)[C@H]1CCN(C(=O)CCc2cn[nH]c2)C1 1192758542 KMEORYPJLIVNCT-ZDUSSCGKSA-N 318.381 -0.485 30 20 DBED COCC#CCN1CCCN(C(=O)CN2CCCC2=O)CC1 1194769357 QISBGAHASCKQOA-UHFFFAOYSA-N 307.394 -0.207 30 20 DBED C[C@@H](COCC(=O)N[C@@H]1CN(CC#N)C[C@H]1O)N1CCCC1 1196298748 BEMGIHWJGKAQID-BFHYXJOUSA-N 310.398 -0.828 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)C(C)(C)CC=C)C1 1196444865 CCEGLWAUKUPULV-MGPQQGTHSA-N 321.421 -0.112 30 20 DBED C=CCNC[C@H]1CN(C(=O)c2nnc(O)nc2O)CCCO1 1200893294 AQJOKCLGNAGAEA-VIFPVBQESA-N 309.326 -0.711 30 20 DBED C=C(Cl)CNC[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)CCCO1 1201269225 LTSISLPYGRDOGG-GHMZBOCLSA-N 316.789 -0.373 30 20 DBED CCCN1C[C@H](C(=O)N2CCCO[C@@H](CNCC#N)C2)CC1=O 1201524943 NQLKNOTVKQGEBU-KGLIPLIRSA-N 322.409 -0.024 30 20 DBED C#CCN[C@H]1C[C@H]2CC[C@H]1N(C(=O)CN(C)S(C)(=O)=O)C2 1204399143 LBRTWXJLTMEGLF-FRRDWIJNSA-N 313.423 -0.520 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)c2cnccn2)C1 1207109137 RUINYNYPCNOOQN-LBPRGKRZSA-N 301.350 -0.580 30 20 DBED N#CCNC(=O)CN[C@H]1CCCN(C(=O)c2ncccc2O)C1 1207875581 SOKQRVQDSMZUOB-NSHDSACASA-N 317.349 -0.379 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@H](CCC)S(N)(=O)=O)C[C@H]1C 1215223817 AHCDOWPBZUWOQK-UTUOFQBUSA-N 301.412 -0.487 30 20 DBED N#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)Cc2ccsc2)C1 1219123108 QFZLUYQTNUAIMW-NEPJUHHUSA-N 322.390 -0.908 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CN(CCCN2CCCC2=O)C[C@@H]1O 1219383156 DTWCWLFWZGNNCW-XQQFMLRXSA-N 308.382 -0.680 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@@H]1O 1219509821 FKQJVZTYSZDAPM-KGLIPLIRSA-N 316.361 -0.644 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN([C@@H](C)c2nncn2C)C[C@@H]1O 1219587750 TYNQVFBJXOFVII-XQQFMLRXSA-N 305.382 -0.303 30 20 DBED CC(C)(C)C#CC(=O)N[C@@H]1CN(CCS(C)(=O)=O)C[C@@H]1O 1219596012 AGBKALLIQAKERX-NEPJUHHUSA-N 316.423 -0.758 30 20 DBED CCN1CC[C@H](N2C[C@H](O)[C@H](NC(=O)C#CC(C)(C)C)C2)C1=O 1219598160 LGGWUKRKJSXCMD-RDBSUJKOSA-N 321.421 -0.182 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)c2cc(F)c[nH]2)C1 1220026650 ZQIMUSRFFASDMS-BIMULSAOSA-N 324.356 -0.381 30 20 DBED C=CCOCCN1CCC(CNC(=O)Cn2cnnn2)CC1 1222359058 VOVUDDADTRVMKI-UHFFFAOYSA-N 308.386 -0.296 30 20 DBED N#CCN1CCS(=O)(=O)[C@H](CCNC(=O)[C@@H]2CCCO2)C1 1230416839 SITNFNSRSQNRHJ-NEPJUHHUSA-N 315.395 -0.706 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)c1ocnc1C 1231406204 YNHQGLAXNRAQFI-GFCCVEGCSA-N 304.350 -0.121 30 20 DBED C=CCNC(=O)[C@@H](C)N(C)CCCNC(=O)[C@H](C)NC(C)=O 1233590560 ZCHCEBMCRXEICE-NWDGAFQWSA-N 312.414 -0.360 30 20 DBED C#CCNC(=O)CC(=O)N(C)C[C@H]1CCN1Cc1nncs1 1233810054 OKRKCEGRNFIZAF-LLVKDONJSA-N 321.406 -0.290 30 20 DBED C=CCNC(=O)CN1CC[C@H]1CN(C)C(=O)Cc1n[nH]c(C)n1 1234205286 IBUNVPUFRTYDFM-LBPRGKRZSA-N 320.397 -0.509 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)N[C@@H]2CCC[C@H]3OCC[C@@H]23)C1 1261471209 MFCUBJLDKJSOBD-VLXAULBPSA-N 321.377 -0.063 30 20 DBED CC#CCN(C)C(=O)C(=O)N1CC[C@@H](CN2CCCC2=O)C1 1261628155 RFTUNUYYBCZNKX-ZDUSSCGKSA-N 305.378 -0.061 30 20 DBED C=CCNC(=O)CNC(=O)N(C)Cc1nc(CCOC)no1 1320094141 HUFAIRDRDNZQHN-UHFFFAOYSA-N 311.342 -0.298 30 20 DBED C=C[C@H]1CCCCN1C(=O)C(=O)NCCNS(C)(=O)=O 1322541484 VAUZEMMOQSFVME-JTQLQIEISA-N 303.384 -0.781 30 20 DBED C#CCn1ccc(CN(CC)C(=O)C(=O)N[C@@H]2CCOC2)n1 1322764188 JEWKIIWIQGOURZ-CYBMUJFWSA-N 304.350 -0.230 30 20 DBED C#CCNC(=O)C1CCN(C(=O)C(=O)NC[C@@H](C)COC)CC1 1325914222 KAZRJBGJMMOWFI-GFCCVEGCSA-N 323.393 -0.627 30 20 DBED COC[C@@H](CNC(=O)C(=O)NCc1ccc(C#N)cc1)OC 1326152570 KQLGVOYJCWPJAZ-CYBMUJFWSA-N 305.334 -0.048 30 20 DBED N#CC[C@@H]1CCCN(C(=O)C(=O)N2CCN3C(=O)NC[C@H]3C2)C1 1327719346 ACEVVPFILHSWAI-RYUDHWBXSA-N 319.365 -0.625 30 20 DBED C=CCN(C(=O)C(=O)NC1CN(C(=O)OC)C1)[C@@H](C)COC 1330556594 MIDGJBUPNGHIEU-JTQLQIEISA-N 313.354 -0.397 30 20 DBED C=CCSCCn1nnnc1N1CCO[C@H](C(=O)NC)C1 1335652587 LHHRMVYMYUVUTA-JTQLQIEISA-N 312.399 -0.457 30 20 DBED CN(C)S(=O)(=O)CCNC(=O)NC1CCN(CC#N)CC1 1343598764 JIRIYSIURNJTFN-UHFFFAOYSA-N 317.415 -0.835 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)N[C@H]2COc3ccccc3C2)CCO1 1345203085 GMMWTTBXBRTAOY-OLZOCXBDSA-N 315.329 -0.143 30 20 DBED Cc1ccnc([C@H](C)NC(=O)Cn2cc(C#N)c(O)nc2=O)n1 1362903465 IXQLHFGDLXFXKE-VIFPVBQESA-N 314.305 -0.204 30 20 DBED CC(C)Cn1c(N)c(C(=O)CN[C@H](C)CC#N)c(=O)n(C)c1=O 1364740146 FOLJYSOEGNPUEC-SNVBAGLBSA-N 321.381 -0.140 30 20 DBED COCCN(CCNC(=O)[C@@H](C)C#N)C(=O)Cc1nonc1C 1371151557 UCXRZQSOEHZTJW-JTQLQIEISA-N 323.353 -0.329 30 20 DBED CCCC[C@@H](NC(N)=O)C(=O)N(C)CCNC(=O)[C@@H](C)C#N 1373648822 GPOTWLKELFKIEC-WDEREUQCSA-N 311.386 -0.052 30 20 DBED CCN(CCNC(=O)[C@H](C)C#N)C(=O)c1cccc(C(N)=O)n1 1373936649 MBADVRUOWYCXLK-SNVBAGLBSA-N 317.349 -0.082 30 20 DBED CNC(=O)NCC(=O)N(C)[C@@H](CNC(=O)[C@@H](C)C#N)C1CC1 1381753794 YVSUMIIKGTYPBW-ONGXEEELSA-N 309.370 -0.572 30 20 DBED C[C@@H](CC(N)=O)C(=O)N1CC2(CCN(C(=O)[C@H](C)C#N)C2)C1 1383616779 XRMUNTHKKVPGGJ-WDEREUQCSA-N 306.366 -0.282 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)c2cn(C)c(=O)nc2O)C1 1386181568 CTMWQZHLCFMSKI-CIUDSAMLSA-N 319.321 -0.977 30 20 DBED CC(C)CS(=O)(=O)CC(=O)N(C)CCNC(=O)[C@@H](C)C#N 1387079388 DYOQJUZFMZNQHR-NSHDSACASA-N 317.411 -0.209 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)c2cccn3nnnc23)C1 1397200592 GXCYKDPPAQYEGW-GUBZILKMSA-N 313.321 -0.339 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](C)CNC(=O)c1cccn2nnnc12 1399385790 GEWCTPWXTJFLKY-ZJUUUORDSA-N 315.337 -0.234 30 20 DBED CNC(=O)NCCC(=O)N1CC[C@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]21 1413933089 WFMJFSPJZFLRMU-SDDRHHMPSA-N 321.381 -0.476 30 20 DBED CN(CCN(C)C(=O)c1cc(C#N)c[nH]1)CC(=O)NC(N)=O 1419962590 QGYMVXIKEDRYPD-UHFFFAOYSA-N 306.326 -0.915 30 20 DBED COC(=O)[C@@](C)(CO)NS(=O)(=O)Cc1ccc(C#N)cc1 1424200200 YINCQPFWIBOCCD-CYBMUJFWSA-N 312.347 -0.098 30 20 DBED COCc1nn(C)cc1C(=O)N(C)CCNC(=O)[C@@H](C)C#N 1429449392 BATLAMRQTQWEIR-JTQLQIEISA-N 307.354 -0.086 30 20 DBED C[C@@H](C#N)C(=O)NC1CCN(C(=O)c2ccc(C(N)=O)[nH]2)CC1 1429692453 YUMKJCQDUMAQTF-VIFPVBQESA-N 317.349 -0.006 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CCCN(C(=O)C2(NC(N)=O)CC2)C1 1448395219 QIKCXBXYZIAYCS-QWRGUYRKSA-N 321.381 -0.204 30 20 DBED C[C@H](C#N)C(=O)N(C)C[C@H]1CCCN1C(=O)Cn1cncn1 1449476070 WCHWUBWVCCOPTK-VXGBXAGGSA-N 304.354 -0.113 30 20 DBED CC[C@@H]1OCC[C@H]1NC(=O)CCn1cc(C#N)c(O)nc1=O 1451242680 MZPUFTITQNBSLC-MNOVXSKESA-N 306.322 -0.106 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](C)CN(C)C(=O)c1ccc(C(N)=O)[nH]1 1451254513 KPEOYOYFUXLXPW-DTWKUNHWSA-N 305.338 -0.150 30 20 DBED COCCN(CCNC(=O)[C@H]1COCCO1)C(=O)[C@@H](C)C#N 1452131191 ZYCHWOYSQUJQJC-NWDGAFQWSA-N 313.354 -0.847 30 20 DBED N#Cc1ccc(CNC[C@@H](O)CNC(=O)[C@@H]2COC(=O)N2)cc1 1482725247 UCDNXDACQIPOEX-OLZOCXBDSA-N 318.333 -0.767 30 20 DBED CCN1C[C@@H](C(=O)N(C)CCN(C)C(=O)[C@H](C)C#N)CC1=O 1501184077 GWKURRWUFNMZKJ-NEPJUHHUSA-N 308.382 -0.069 30 20 DBED CC(=O)NCC(=O)N1CC[C@@H](N(C)C(=O)c2c[nH]c(C#N)c2)C1 1523071684 YIINUJOZYQVDDX-CYBMUJFWSA-N 317.349 -0.305 30 20 DBED C[C@@H](C#N)C(=O)NCC1CN(C(=O)c2ccc(=O)n(C)n2)C1 1530880385 NCZSQKVKCGMIAV-VIFPVBQESA-N 303.322 -0.872 30 20 DBED CC[C@@H](CNC(=O)c1cnnn1C)NC(=O)c1cc(C#N)c[nH]1 1531172322 VIYMCGHAQVYFPI-JTQLQIEISA-N 315.337 -0.047 30 20 DBED C=C1CC(C)(C(=O)NCCN(CCO)C(=O)CNC(=O)O)C1 1573343687 ILTLSOGVGFHAJJ-UHFFFAOYSA-N 313.354 -0.453 30 20 DBED C#CCC[C@H](O)CNC(=O)N[C@H]1CC2(CNC2)n2ccnc21 1574545424 PQTYEDWFWKCIEA-RYUDHWBXSA-N 303.366 -0.300 30 20 DBED C=CCn1cc(CNC(=O)[C@@H]2CCCN(CCN)C2=O)nn1 1574960585 PBZNZTNJFSYKPM-LBPRGKRZSA-N 306.370 -0.722 30 20 DBED CC[C@H]1NCC[C@@H]1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1577304048 IQUYFQAGRTUDJU-FMSGJZPZSA-N 311.407 -0.229 30 20 DBED N#Cc1cc(C(=O)NC[C@]2(O)CCN(Cc3cnn[nH]3)C2)c[nH]1 1577712438 MUVCOWHHYJNAKX-CQSZACIVSA-N 315.337 -0.629 30 20 DBED O=C(NCCN/C(O)=C1/N=CC=CC1=O)N[C@H]1[C@@H]2CNC[C@@H]21 1580689472 LQOADVKQIVSQAS-CSNBYIIKSA-N 305.338 -0.970 30 20 DBED C#CC[C@@H](CO)NC(=O)c1ccc(-c2nn[nH]n2)c(OC)c1 1588331351 OAYLWQNMSBGGFI-JTQLQIEISA-N 301.306 -0.011 30 20 DBED C#C[C@H](CO)NS(=O)(=O)c1cc(C(=O)O)c(F)cc1OC 1588370512 GAKZXGONIWKGCQ-SSDOTTSWSA-N 317.294 -0.195 30 20 DBED C#CC[C@@H](NC(=O)CC1(n2cnnn2)CCOCC1)C(=O)O 1588405613 HSHNKCVGUVSCBR-SNVBAGLBSA-N 307.310 -0.838 30 20 DBED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)NC[C@H](F)C(=O)O 1588534374 GASUMUFVTYEPKV-KXUCPTDWSA-N 302.302 -0.377 30 20 DBED C=C[C@H](COC)NC(=O)N1C[C@@H](C(=O)O)[C@@H](C(=O)OC)C1 1588692735 IYXHTTBQRHXZFY-BBBLOLIVSA-N 300.311 -0.297 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)O 1599235916 XREXFAXEQGXTTP-MNOVXSKESA-N 319.383 -0.064 30 20 DBED N#CCN(CC(=O)O)C(=O)Cc1csc(N2CCOCC2)n1 1601070237 ZDVRJPMUNDDZBX-UHFFFAOYSA-N 324.362 -0.041 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N(CC(=O)O)C1CCOCC1 1603130391 VLPAWAXWBNTDOJ-JTQLQIEISA-N 319.383 -0.112 30 20 DBED N#C[C@@H]1CSCCN1S(=O)(=O)c1cnn(CC(=O)O)c1 1608180222 WHVFDDZBKODDRZ-MRVPVSSYSA-N 316.364 -0.403 30 20 DBED N#Cc1ccc([C@H](C(=O)O)N2CCN3C(=O)NC(=O)[C@H]3C2)cc1 1608199924 RREWOGQRGTZRMT-VXGBXAGGSA-N 314.301 -0.080 30 20 DBED C#CCCN1CCN(CCNC(=O)C[C@H]2CCC(=O)NC2)CC1 1752366275 VKRVSGZKJHJIER-OAHLLOKOSA-N 320.437 -0.340 30 20 DBED C=CCOCC(=O)NC[C@H]1CCCN1CCN1C(=O)CNC1=O 1753097496 PTGFKPNDXSMKKY-GFCCVEGCSA-N 324.381 -0.679 30 20 DBED COCC#CCN1CC(CNC(=O)[C@]2(C)CCN(C(C)=O)C2)C1 1753413561 HNKJXTXJXNIJRQ-QGZVFWFLSA-N 321.421 -0.057 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C[C@H]1CN2C(=O)CCn1cccc1 1753424954 GRLNHNJYAOLEHV-GJZGRUSLSA-N 314.389 -0.087 30 20 DBED CC#CCNC[C@](C)(NC(=O)Cn1nc(C)n(C)c1=O)C1CC1 1753527582 GJLSDFQQVDBZBD-INIZCTEOSA-N 319.409 -0.212 30 20 DBED C=CCCNC[C@H](O)CNC(=O)c1ccc2c(c1)C(=O)NC2=O 1753933174 FLTLVZWINJOBDU-NSHDSACASA-N 317.345 -0.173 30 20 DBED CC#CCNCCN(CC)C(=O)Cn1ccc(=O)n(C)c1=O 1754048166 GIXJISMCBAMUGF-UHFFFAOYSA-N 306.366 -0.992 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@H](NC(=O)c1cccnn1)C1CC1 1754455231 ORIFCTAPKFYCSY-RISCZKNCSA-N 315.377 -0.288 30 20 DBED Cc1nnccc1C(=O)NC[C@H]1CCN1CC(=O)NCC#N 1754489199 SJLPSRINYVVXNR-LLVKDONJSA-N 302.338 -0.771 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CNC(=O)CC1CCN(C)CC1 1754495321 JBNLIXHFAOKUSG-HNNXBMFYSA-N 320.437 -0.342 30 20 DBED C=C(C)CCN1CC[C@@](O)(CNC(=O)CS(=O)(=O)NC)C1 1754762573 SIPFMFFHDOCWNG-CYBMUJFWSA-N 319.427 -0.945 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@@H](CCNCc2nc(O)n[nH]2)C1 1754915395 VPBPDNLWMAIZBC-NWDGAFQWSA-N 321.381 -0.123 30 20 DBED C#CCN1CC2(CC[C@@H](CNC(=O)[C@@]3(C)CCC(=O)NC3)O2)C1 1755056191 XKYWTSWPVACJTL-BBRMVZONSA-N 319.405 -0.115 30 20 DBED C#CCN1CCOC2(CCN(C(=O)C[C@H](C)NC(N)=O)CC2)C1 1755174912 ZSCYPTVHAWOQFP-ZDUSSCGKSA-N 322.409 -0.240 30 20 DBED CNC(=O)CN1CCO[C@@]2(CCN(C(=O)C#CC(C)C)C2)C1 1755399983 ASMPXFKWTFOXDB-INIZCTEOSA-N 307.394 -0.305 30 20 DBED C#CCNC(=O)CN[C@H](C)CN(C)C(=O)[C@@H](C)NC(=O)CC 1755589116 MSQGQMRICAVYHO-VXGBXAGGSA-N 310.398 -0.913 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)C[C@H](C)NCCn1cncn1 1755591886 STYJPLOSBMKKAJ-GJZGRUSLSA-N 318.425 -0.188 30 20 DBED C#CCCN[C@@H]1C[C@@H](C)N(C(=O)COCc2nncn2C)C1 1755690043 MCYWHLCNZJABQY-CHWSQXEVSA-N 305.382 -0.066 30 20 DBED C#CCNC(=O)CNC[C@H](O)CN(C)C(=O)c1cc[nH]c1CC 1755777190 HHNTXTCDOKYCHX-LBPRGKRZSA-N 320.393 -0.651 30 20 DBED CNC(=O)C1(C(=O)N(C)[C@H](C)CNC(=O)C#CC2CC2)CC1 1756024802 VIBBJDFDIVURGO-LLVKDONJSA-N 305.378 -0.111 30 20 DBED C=CCCC(=O)N1CC(CCO)(NC(=O)c2cnn(CC)n2)C1 1756079962 PMLMAQZZLQUSHA-UHFFFAOYSA-N 321.381 -0.043 30 20 DBED CC(C)C#CC(=O)N1C[C@H]2[C@H](CNC(=O)[C@H]3COC(=O)N3)[C@H]2C1 1756200267 QBFLQWOAJGJUSF-FVCCEPFGSA-N 319.361 -0.425 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CC2(CCN(C(=O)C(N)=O)CC2)CO1 1756241021 TZSQPBOPBJGWIT-WDEREUQCSA-N 322.365 -0.855 30 20 DBED N#CCSCC(=O)NC[C@@H](CO)NC(=O)[C@@H]1CCCO1 1756503243 CZYYFUSNSOPNOX-UWVGGRQHSA-N 301.368 -0.985 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(C(=O)COCC(F)F)C[C@@H]1O 1757168922 JDRGKYGZVPEGLH-MNOVXSKESA-N 318.320 -0.241 30 20 DBED C=CCCC(=O)N1CC[C@@H]1CN(C)C(=O)CS(=O)(=O)NC 1757288496 NJQPVRRSWWFXOG-LLVKDONJSA-N 317.411 -0.439 30 20 DBED C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](C)n1cnnn1)C2 1801600262 HLYZLDYOJMJGOB-WISYIIOYSA-N 302.338 -0.495 30 20 DBED C=CCC(=O)N1CC[C@H](CNC(=O)C(O)O)[C@H]1c1cccnc1 1802923542 ALLQWBIXDVGCDE-TZMCWYRMSA-N 319.361 -0.026 30 20 DBED C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](C)n1cnnn1 1803096218 NRZLSDQGQRJGSD-WISYIIOYSA-N 302.338 -0.495 30 20 DBED CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)S)CCO2 1840158651 OCZHBPLQNAWQJJ-ZWNOBZJWSA-N 302.396 -0.219 30 20 DBED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)C1CC(O)C1)C2 1846194475 ILIODELCISYILR-UHFFFAOYSA-N 306.318 -0.951 30 20 DBED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)c1ccno1)C2 1846195000 PXELRADNOGRRIU-UHFFFAOYSA-N 303.274 -0.420 30 20 DBED CC[C@](C)(NCC(=O)N1CCN([C@H](C#N)C(C)C)CC1)C(N)=O 91623999 SMBPUAHVLZXCBF-CJNGLKHVSA-N 323.441 -0.078 30 20 DBED C#C[C@@H](C)NS(=O)(=O)c1cccc(S(=O)(=O)NC)c1 193513769 ZVXFVGUKXWCUBN-SECBINFHSA-N 302.377 -0.105 30 20 DBED C=CCN(CC=C)C(=O)[C@@H](C)N1CCN2C(=O)C(=O)NC[C@H]2C1 248176660 VRIPWEARHRHMCG-OLZOCXBDSA-N 320.393 -0.782 30 20 DBED CNC(=O)[C@H]1CN(S(=O)(=O)Cc2cccc(C#N)c2)CCO1 272774839 NEASQKIGCIVDOO-CYBMUJFWSA-N 323.374 -0.165 30 20 DBED N#CCCCS(=O)(=O)N1CC[C@@H](C(=O)O)[C@H](C(=O)O)C1 275105190 MEEHONKIJPSPFQ-RKDXNWHRSA-N 304.324 -0.273 30 20 DBED C=CCn1c(-c2ccco2)nnc1S(=O)(=O)C[C@@H](O)CO 285086129 KSBGOWYYHDOPGI-VIFPVBQESA-N 313.335 -0.149 30 20 DBED Cn1c(N[C@@H](CO)CN2CCCCC2)c(C#N)c(=O)n(C)c1=O 289196140 UHNKGAKAOUVMBE-LLVKDONJSA-N 321.381 -0.786 30 20 DBED CC[C@@]1(C)NC(=O)N(NS(=O)(=O)N(C)[C@H](C)CC#N)C1=O 289229118 RLYWHVFRDLOTSP-LDYMZIIASA-N 317.371 -0.310 30 20 DBED N#Cc1ccc(OC[C@@H](O)CN2CCO[C@@H](C(N)=O)C2)cc1 299465733 JNNTXURGPGILMX-GXTWGEPZSA-N 305.334 -0.516 30 20 DBED CO[C@H]1C[C@@H](CN(C)/C(O)=N/C[C@@H]2COCCO2)N(C)C1 329069537 YEJPEEABQMJMRR-RWMBFGLXSA-N 301.387 -0.033 30 20 DBED CN1CCN(C)[C@H](C/N=C(/O)N2C[C@H]3[C@@H](C2)OCCN3C)C1 329741648 WCBGJDFYSASACA-HZSPNIEDSA-N 311.430 -0.839 30 20 DBED CC/N=C(/O)NC(=O)[C@H](C)N1CCN(c2nccn2C)CC1 330522302 ONAVGPXRFHJYCD-NSHDSACASA-N 308.386 -0.019 30 20 DBED CCCC/N=C(/O)NC(=O)CN1CCS(=O)(=O)C[C@H]1C 330859773 RIGZTCPBOZSYPT-SNVBAGLBSA-N 305.400 -0.064 30 20 DBED C[C@@](C#N)(NC(=O)CN1CCC[C@H]1CS(N)(=O)=O)C1CC1 331683212 QKCDHKJLLXGSJO-AAEUAGOBSA-N 314.411 -0.452 30 20 DBED COC(=O)[C@@H](NS(=O)(=O)N1CCO[C@H](C#N)C1)C(C)C 336882582 CAHIQVDYOVTBJD-ZJUUUORDSA-N 305.356 -0.757 30 20 DBED CN([C@@H]1CCNC1=O)S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N 340083160 LVKGTNXQBUZHIF-SNVBAGLBSA-N 324.318 -0.025 30 20 DBED C=CCN1CCC(NC(=O)C(=O)N2CC[C@@](C)(C(N)=O)C2)CC1 343741807 QMSKZUBCNIFRNC-MRXNPFEDSA-N 322.409 -0.523 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1CCN([C@H]2CCNC2)CC1 352508356 GOVIKVDADHGBRO-STQMWFEESA-N 309.414 -0.634 30 20 DBED CC(C)(C#N)CNC(=O)CN1CCN(S(C)(=O)=O)CC1 359637690 QMODWXSODKIOOI-UHFFFAOYSA-N 302.400 -0.770 30 20 DBED Cn1c(=O)c2ccc(C(=O)NCC(C)(C)C#N)nc2n(C)c1=O 359638162 REWDRWDDJOOPHK-UHFFFAOYSA-N 315.333 -0.088 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@]3(CCOC3)C2)C1=O 370363426 QDEMYPWRTXELJH-OAHLLOKOSA-N 321.333 -0.398 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N1CC[C@@H]2COC(=O)N[C@H]2C1 374439665 BCHKLKHYMUYOAJ-AXFHLTTASA-N 316.383 -0.247 30 20 DBED C[C@H](O)CN1CCN(S(=O)(=O)N(C)[C@H](C)CC#N)[C@H](C)C1 407976100 SHWAGOKZILZBLI-UPJWGTAASA-N 318.443 -0.148 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1[C@H]2CC[C@H]1COC2 416562796 OYDJUWBRRVKALG-RYUDHWBXSA-N 303.384 -0.044 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2cnn(CC)c2)CC1 491126961 UVHRDEFEYOOSNU-UHFFFAOYSA-N 303.366 -0.590 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2cc(C)nc(O)c2)CC1 491146825 PEUZKDHQRBORBQ-UHFFFAOYSA-N 316.361 -0.397 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1CC[C@H](C(=O)O)[C@H]1C 514864792 CCVSPNMNTYYCQQ-MNOVXSKESA-N 319.383 -0.112 30 20 DBED CCN1CCN(CC(=O)N2CCC(CC#N)CC2)C(=O)C1=O 541050944 WKTLPJYIJXTSLC-UHFFFAOYSA-N 306.366 -0.171 30 20 DBED CNC(=O)[C@@H](C)NC(=O)CNS(=O)(=O)c1cccc(C#N)c1 563756596 PYAQBMQYEPCPGG-SECBINFHSA-N 324.362 -0.913 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)NC[C@H](CO)CC2CC2)CCO1 594866946 VPYFTFLJJHGPJJ-VXGBXAGGSA-N 303.384 -0.546 30 20 DBED N#CCCN1CCN(C(=O)C(=O)N2CCC[C@@H]3COC[C@@H]32)CC1 601497930 IMIQGFVPLCKBKH-KGLIPLIRSA-N 320.393 -0.318 30 20 DBED CN1C(=O)C(=O)N(CC(=O)N(C)c2cccc(C#N)c2)C1=O 609580012 ZBRXULFJAZPZHO-UHFFFAOYSA-N 300.274 -0.058 30 20 DBED N#CC1(NC(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 609989892 AANDURPGBFLINU-ZDUSSCGKSA-N 320.393 -0.128 30 20 DBED C[C@H](O)CN(CC#CCN1C(=O)c2ccccc2C1=O)CCO 625433209 RTHHYMQKLHRFSD-ZDUSSCGKSA-N 316.357 -0.039 30 20 DBED C=CCn1cc(C(=O)N[C@@H](CC)C(=O)N2CCOCC2)nn1 648317805 MYMOUJAMVYYKSO-NSHDSACASA-N 307.354 -0.169 30 20 DBED C=CC[C@H](CO)CNC(=O)[C@@H]1CCCN1C(=O)CNC(C)=O 678800519 IQHFLDKDQIJMEU-STQMWFEESA-N 311.382 -0.586 30 20 DBED C#C[C@@H](NC(=O)C(=O)NCCCn1ccnc1)[C@@H]1CCCO1 774460573 DQIXWIRBRXYLSL-OLZOCXBDSA-N 304.350 -0.314 30 20 DBED C#CCOCCNC(=O)N1CCC[C@H]1CS(=O)(=O)NC 784544861 KUZXLIWKHFOCRA-NSHDSACASA-N 303.384 -0.641 30 20 DBED N#CCNC(=O)CNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] 796216757 JGHNWWKRHPANBG-UHFFFAOYSA-N 316.270 -0.348 30 20 DBED C#CCC[C@@H](O)CNC(=O)NC1CCN(CC(=O)N(C)C)CC1 798409201 KRLLHZHTWSWQMO-CQSZACIVSA-N 324.425 -0.388 30 20 DBED C[C@H](CC#N)N(C)c1c(-c2nn[nH]n2)c(=O)n(C)c(=O)n1C 820219696 INHWACXJQFWSHA-SSDOTTSWSA-N 304.314 -0.998 30 20 DBED N#C[C@@H]1CNC[C@H]1NC(=O)Cn1c(=O)nc(O)c2ccccc21 834516770 LUGFSRJHRYSWLA-MWLCHTKSSA-N 313.317 -0.670 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)Nc1ncncc1OC 862193211 NKNHGVBBOZOGAN-JTQLQIEISA-N 306.322 -0.032 30 20 DBED O=C(C#Cc1ccc2c(c1)OCO2)NN1CCS(=O)(=O)CC1 862734784 QUHFONFYFBKUIQ-UHFFFAOYSA-N 322.342 -0.472 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@@H](CC(C)=O)C(=O)O 863407099 DYGFAMADGFKOAE-WPRPVWTQSA-N 305.356 -0.265 30 20 DBED N#CCCNC(=O)COC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 914818634 QQGVZDWDYCYFMW-QMMMGPOBSA-N 321.255 -0.030 30 20 DBED C#CC[C@@H]1NC(=O)N(CCCN2CCC[C@H](C(N)=O)C2)C1=O 927425020 NLVLJCRBJISLOP-RYUDHWBXSA-N 306.366 -0.483 30 20 DBED C#CCN(C(=O)CN1CCN(S(C)(=O)=O)CC1)C(C)C 928627114 KMZAXRURTBRMRW-UHFFFAOYSA-N 301.412 -0.566 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)c3cnn(C)n3)C2)cn1 941556149 CYPLBZFBASYWNC-CYBMUJFWSA-N 324.344 -0.164 30 20 DBED C[C@H](C#N)C(=O)N1CCCN(C(=O)c2ccc(C(N)=O)[nH]2)CC1 942153165 RYCXDJGFWUNWSA-SNVBAGLBSA-N 317.349 -0.052 30 20 DBED C=CCN1CCOC2(CCN(C(=O)[C@H]3CN(C)C(=O)N3)CC2)C1 949433283 MUDREFNYGULXJS-CYBMUJFWSA-N 322.409 -0.111 30 20 DBED C[C@@H](C#N)C(=O)N1[C@H]2CCC[C@H]1CN(C(=O)[C@H]1C[C@H]1C(N)=O)C2 952801627 DBXWIGNBEHBPGV-NWBUJAPZSA-N 318.377 -0.141 30 20 DBED CC#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cc3n(n2)CCO3)C1 958135087 KNENVCPGVGYUPW-WCQYABFASA-N 304.350 -0.679 30 20 DBED N#CCN1C[C@H](CNC(=O)c2ccn(CC(F)F)n2)[C@@H](O)C1 958164119 ILHFQEDQIPGTBF-ONGXEEELSA-N 313.308 -0.306 30 20 DBED CN(C)Cc1ccoc1C(=O)NC[C@H]1CN(CC#N)C[C@H]1O 958345695 QJXAWTDJGZLYDH-QWHCGFSZSA-N 306.366 -0.113 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)[C@H]1CN(C(=O)C(C)C)C[C@@H]1O 958878574 YXRJXQAOMSSHCF-KKUMJFAQSA-N 321.421 -0.230 30 20 DBED COc1cc(C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2O)on1 962396607 QHQZDNBWNHYMFH-MNOVXSKESA-N 319.317 -0.602 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)c1ccc(O)nn1 964084553 WASKLHWTLSOKGW-ZJUUUORDSA-N 319.321 -0.701 30 20 DBED CCn1cc(C(=O)NC[C@@H]2COCCN2C(=O)[C@@H](C)C#N)nn1 964326737 MCYHCHKDOSIBNJ-WDEREUQCSA-N 320.353 -0.585 30 20 DBED C[C@H](C#N)C(=O)N1CC2(C[C@@H](NC(=O)C3=CCOCC3)CO2)C1 965677990 XUEHGIBZDTXTMW-DGCLKSJQSA-N 319.361 -0.021 30 20 DBED CC(=O)N1CCN(C2CN(C(=O)c3c[nH]c(C#N)c3)C2)CC1 967147898 HJFNUSYYEKPGQR-UHFFFAOYSA-N 301.350 -0.125 30 20 DBED C[C@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)c1ncn(C)n1)C2 969806878 WEEFVGRSUPHQED-VWYCJHECSA-N 302.338 -0.210 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)c3cc(OC)n(C)n3)C2)C1 972461824 YOGRTTMZHCUKFO-INIZCTEOSA-N 318.377 -0.021 30 20 DBED C[C@]1(C(=O)N2CC[C@@]3(CN(CC#N)CCO3)C2)CCC(=O)NC1 972512930 BKOHSGPKDJKJDQ-JKSUJKDBSA-N 320.393 -0.270 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@@]3(CN(CCO)CCO3)C2)cn1 972644183 WAAYXTJEEPUBFC-QGZVFWFLSA-N 315.373 -0.028 30 20 DBED COc1cc(C(=O)N[C@H]2[C@@H]3CN(C(=O)[C@H](C)C#N)C[C@@H]32)nn1C 976896277 SCTOSFAWXBJPEL-DNJQJEMRSA-N 317.349 -0.225 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CN([C@@H](C)C(N)=O)CC2(C)C)nn1 977276559 ZNDLZBUWIPFIJI-JQWIXIFHSA-N 320.397 -0.222 30 20 DBED CC(=O)N1CC(C(=O)N(C)C[C@H]2CCN2C(=O)[C@H](C)C#N)C1 977652504 YLMOFGGMVNMICA-ZWNOBZJWSA-N 306.366 -0.316 30 20 DBED N#CCN1C[C@@H]2C(CNC(=O)[C@@H]3CCCN(C(N)=O)C3)[C@H]2C1 978430275 HBIWOZRCMIQUDM-RAIGVLPGSA-N 305.382 -0.405 30 20 DBED C=C(C)CN1C[C@H]2[C@H](CNC(=O)[C@H]3CC[C@@H](C(N)=O)O3)[C@H]2C1 978709837 XKQZZNGSNBIGTM-PDWCTOEPSA-N 307.394 -0.111 30 20 DBED C#CCN1C[C@H]2[C@H](CNC(=O)[C@H]3COCCN3C(C)=O)[C@H]2C1 979086818 GAFLKPOIUZTQBW-APIJFGDWSA-N 305.378 -0.839 30 20 DBED C=CCN(C)C1CCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)CC1 985690236 VLUOBBBXQGPIKY-UHFFFAOYSA-N 322.365 -0.484 30 20 DBED C#CCN1CCC[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)[C@H]1C 994210800 MJBKULQGRQYSOZ-VXGBXAGGSA-N 306.366 -0.517 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(=O)NCCN(C(=O)[C@@H]2C[C@H]2C)CC1 1001777422 ONOOZVAXDKLSGK-FRRDWIJNSA-N 320.393 -0.021 30 20 DBED CC(C)C(=O)N1CCNC(=O)CCN(C(=O)[C@@H](C)C#N)CC1 1001778300 VLVKQSFGNXLUPI-LBPRGKRZSA-N 308.382 -0.021 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H]1CN(C)C(=O)c1nnn(C)n1 1002930942 LAGGTNHSMQPKRK-UWVGGRQHSA-N 305.342 -0.567 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](NC(=O)C(N)=O)C(C)(C)C1 1008529956 WTJKTLXKSMEXPR-VWYCJHECSA-N 309.366 -0.584 30 20 DBED C=C1CC(C)(C(=O)N2CC[C@H]3OCCN(C(=O)C(N)=O)[C@@H]3C2)C1 1019921633 IODFZEHJMXDDQN-VXGBXAGGSA-N 321.377 -0.344 30 20 DBED C#CCN1CCC[C@@H](CNC(=O)c2cn(CCOC)nn2)C1 1023359776 AZMLQFGLGNSFPL-ZDUSSCGKSA-N 305.382 -0.001 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2CCCN(CC(N)=O)C2)nc1 1023708935 NBSRIYVKJSQGQM-CYBMUJFWSA-N 300.362 -0.010 30 20 DBED C#CCN1CC[C@@H](N(C)C(=O)c2ccc(S(N)(=O)=O)o2)C1 1033232792 VYVILCMZPWJLKR-SNVBAGLBSA-N 311.363 -0.294 30 20 DBED CC#CCN1CCO[C@@H](CNC(=O)[C@@H]2CCCCC(=O)N2)C1 1035513154 SKUZJCYJOSMORF-KBPBESRZSA-N 307.394 -0.115 30 20 DBED CC#CCN1CCO[C@@H](CNC(=O)c2cccnc2C(N)=O)C1 1035615678 YTNKLAXVVHDBLF-LBPRGKRZSA-N 316.361 -0.366 30 20 DBED C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H]1NC(=O)NC1=O 1039468126 VLPNRYAGBBDOSS-AGIUHOORSA-N 318.377 -0.327 30 20 DBED C#CCCCC(=O)NC[C@@]1(O)CCN(C(=O)CC(=O)NC)C1 1039574869 ZYUQPCJGYIVZJL-HNNXBMFYSA-N 309.366 -0.994 30 20 DBED C#CCOCCC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2C[C@H]2C)C1 1039722519 WWQMMPRZQXGKKX-IOASZLSFSA-N 308.378 -0.238 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)Cc2cnoc2)C1 1040642603 YKGFDKFTWXLQJF-YGRLFVJLSA-N 306.322 -0.544 30 20 DBED Cc1cc(C(=O)NCC2(O)CN(C(=O)C#CC3CC3)C2)n[nH]1 1041726852 JHWDFQLNUATQMU-UHFFFAOYSA-N 302.334 -0.565 30 20 DBED C#CCN1CC[C@]2(CCN(C(=O)c3nccnc3C(N)=O)C2)C1 1041821045 CREMLARQAOAMDC-INIZCTEOSA-N 313.361 -0.253 30 20 DBED CO[C@H]1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042963112 HFHDDKZOALCGSN-KBPBESRZSA-N 320.389 -0.096 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)C2CC(OC)C2)C1 1043511784 RQZJEJMHHWJLFW-UHFFFAOYSA-N 324.377 -0.859 30 20 DBED Cc1cncn1CC(=O)NCC1(O)CN(C(=O)C#CC(C)C)C1 1043910894 XAWMLGUEXZKHNE-UHFFFAOYSA-N 318.377 -0.460 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)[C@@]23COC[C@@H]2C3)C1 1044479037 ROICUYZHXXMFJX-ZBEGNZNMSA-N 308.378 -0.075 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)[C@]2(C)CCOC2)C1 1045297981 IQJBLIBIQYEHTQ-OAHLLOKOSA-N 308.378 -0.094 30 20 DBED N#CCN1[C@H]2CC[C@H]1CN(C(=O)CN1CCCNC1=O)CC2 1045809317 RVILBCLPZASQQD-STQMWFEESA-N 305.382 -0.009 30 20 DBED C#CCN1CC[C@H](N2CCN(C(=O)c3cncn3C)CC2)C1 1046041872 NVGPJYOOVHFGEY-AWEZNQCLSA-N 301.394 -0.115 30 20 DBED C#CCN1CC[C@@H](N2CCN(C(=O)[C@]3(C)CNC(=O)C3)CC2)C1 1046047522 SIOGPJSQTPLVIO-PBHICJAKSA-N 318.421 -0.636 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1C[C@@H](CNC(=O)[C@@H]2CCC(=O)N2)C1 1046422145 CMPBZAGBQHETDE-SUHUHFCYSA-N 313.361 -0.040 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCc3nccn32)C1 1047408786 BUKOKXGVALWHRP-IHRRRGAJSA-N 302.378 -0.103 30 20 DBED CN(C(=O)[C@H]1CCCc2nccn21)[C@H]1CN(CC#N)C[C@@H]1O 1047409793 YWGZJHGUSBFUHL-AGIUHOORSA-N 303.366 -0.212 30 20 DBED C=C[C@@](C)(CC)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CC(N)=O)C1 1048604722 BFBDSBBCRDCSKF-PGUXBMHVSA-N 311.382 -0.506 30 20 DBED N#CCN1CCOC[C@@H]1CNC(=O)[C@H]1CCn2cncc2C1 1050980311 QTPJRZUCPWTHJN-JSGCOSHPSA-N 303.366 -0.214 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)[C@@H]1CCCN(C(C)=O)C1 1051008348 VGWWMBDJQCAKNK-CABCVRRESA-N 307.394 -0.305 30 20 DBED C#Cc1cncc(C(=O)NC[C@H]2COCCN2C[C@@H](C)O)c1 1051106518 MZUBGYXKHWPBAB-DOMZBBRYSA-N 303.362 -0.126 30 20 DBED Cc1cnc2c(C(=O)NC[C@@H]3COCCN3CC#N)cnn2c1 1051143456 HCESBSDIZVCOCE-GFCCVEGCSA-N 314.349 -0.008 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2COCCN2C[C@H](C)O)nc1 1051215321 VHXSBSYYZORMJZ-JSGCOSHPSA-N 303.362 -0.126 30 20 DBED CC(=O)NCC(=O)N1C[C@@H](C)[C@@H](CNC(=O)C#CC2CC2)C1 1051824803 JWGMEKMTVQCVAD-RISCZKNCSA-N 305.378 -0.253 30 20 DBED C#CCN1CCN([C@H]2CCN(C(=O)C[C@@H]3COC(=O)C3)C2)CC1 1052013100 RCFBYIDCQVDLAD-GJZGRUSLSA-N 319.405 -0.209 30 20 DBED CC(=O)N1CCO[C@@H](C(=O)N[C@@H]2CCCN(CC#N)CC2)C1 1052906163 SEBQIPGBPDNVHX-ZIAGYGMSSA-N 308.382 -0.272 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1C 1053159909 CJSMGBAYWMIQSG-QWRGUYRKSA-N 307.354 -0.168 30 20 DBED CC#CCN1CC2(CC[C@H](CNC(=O)c3c[nH]c(=O)cn3)O2)C1 1053653866 AWUZCBUYLNPYOF-GFCCVEGCSA-N 316.361 -0.244 30 20 DBED N#CCN1CC2(CC[C@H](CNC(=O)[C@H]3CC[C@@H](C(N)=O)C3)O2)C1 1053663395 OQDQKGULAQXGAW-FRRDWIJNSA-N 320.393 -0.239 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)c3cccc(=O)n3C)CO2)C1 1053921798 ODALWTQTAOZWRQ-CYBMUJFWSA-N 315.373 -0.018 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)[C@H]3CCN(C(=O)CC)C3)CO2)C1 1053976270 DKQXAHUKYOIWRK-KBPBESRZSA-N 319.405 -0.162 30 20 DBED C=CCN1CC2(C[C@@H](NC(=O)[C@@H]3CCCN3C(N)=O)CO2)C1 1054024300 KZEVKXXCJYZWHE-NEPJUHHUSA-N 308.382 -0.325 30 20 DBED C#CCCCC(=O)N1C[C@H]2CN(C(=O)CC(=O)NC)C[C@H]2C1 1055300879 CCFATLDWQYVVRB-BETUJISGSA-N 305.378 -0.157 30 20 DBED C#CCOCCC(=O)N[C@@]1(CO)CCCN(C(=O)COC)C1 1055945249 HQFDDROUALBRKH-HNNXBMFYSA-N 312.366 -0.858 30 20 DBED C[C@H](C#N)C(=O)N[C@]1(CO)CCCN(C(=O)c2cnon2)C1 1056097987 YBBMDBSFVVATMA-NOZJJQNGSA-N 307.310 -0.687 30 20 DBED Cn1nncc1C(=O)NC1[C@H]2CN(c3cnc(C#N)cn3)C[C@H]12 1056194712 OHVQWUWPXWERSJ-UWVGGRQHSA-N 310.321 -0.659 30 20 DBED CCn1ncc(C(=O)NC2[C@@H]3CN(c4ccnc(C#N)n4)C[C@@H]23)n1 1056200078 BPLYJAANUBMZSF-NXEZZACHSA-N 324.348 -0.176 30 20 DBED CN(c1nccnc1C#N)[C@H]1CCN(C(=O)c2cnnn2C)C1 1056907977 DGXIBBIIZVBIKJ-JTQLQIEISA-N 312.337 -0.172 30 20 DBED C[C@@H](C(=O)N(CCO)CCNC(=O)C#CC1CC1)n1cccn1 1057049804 RRNJWPGOYIGGIS-ZDUSSCGKSA-N 318.377 -0.205 30 20 DBED N#Cc1cncc(N2CCCN(C(=O)Cn3nccn3)CC2)n1 1057186077 QKWXDOUHJOTBBZ-UHFFFAOYSA-N 312.337 -0.321 30 20 DBED C=C[C@](C)(O)CC(=O)N(CCO)CCNC(=O)c1ccncn1 1057451599 OHVRXKFFDVCPRM-HNNXBMFYSA-N 322.365 -0.646 30 20 DBED CO[C@H](C(=O)NCCN(CCO)C(=O)C#CC1CC1)C1CC1 1057531160 GZHGIAICFAHJKQ-HNNXBMFYSA-N 308.378 -0.238 30 20 DBED N#Cc1nccnc1N1CCC(NC(=O)[C@@H]2COC(=O)N2)CC1 1057864892 NMPCKGBMIBEOAZ-NSHDSACASA-N 316.321 -0.458 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CCN(c3nccn4nnnc34)C2)[nH]1 1058330490 UYLPRBRQOGYJFG-SNVBAGLBSA-N 323.320 -0.272 30 20 DBED CCn1cc(C(=O)N[C@H]2CCN(c3cncc(C#N)n3)C2)nn1 1058432343 QVFKRBQVKRBFPT-JTQLQIEISA-N 312.337 -0.032 30 20 DBED C=CC(C)(C)C(=O)NCCN(CCO)C(=O)CCn1cnnn1 1058540369 AXMHMZUHXGXJDL-UHFFFAOYSA-N 324.385 -0.788 30 20 DBED C[C@H]1CCN(CC(=O)NCCN(CCO)C(=O)[C@H](C)C#N)C1 1058659264 WCPSNLFNCUTQRD-QWHCGFSZSA-N 310.398 -0.575 30 20 DBED N#Cc1cnc(N[C@H]2C[C@H](NC(=O)[C@@H]3COCCO3)C2)cn1 1059161631 VDHXSBFNBXSBHA-NHCYSSNCSA-N 303.322 -0.177 30 20 DBED NC(=O)NCC(=O)NCC[C@H]1CCN(C(=O)C#CC2CC2)C1 1059620916 LMRKREAILGKEFW-LBPRGKRZSA-N 306.366 -0.577 30 20 DBED CN1C[C@H](C(=O)N[C@H]2C[C@@H](Nc3nccnc3C#N)C2)CC1=O 1059862348 IRLDCLWXQPEXNL-MXWKQRLJSA-N 314.349 -0.114 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](CCNC(=O)c2nnn(C)n2)C1 1060295385 VQELGYXWPPRWIZ-NXEZZACHSA-N 305.342 -0.662 30 20 DBED CC(C)C#CC(=O)N1CCC2(CC1)CN(C(=O)CNC(N)=O)C2 1060893357 DWLXEHFMFJJJGZ-UHFFFAOYSA-N 320.393 -0.235 30 20 DBED N#Cc1nccnc1N1CCC[C@@H]1CNC(=O)[C@@H]1CCC(=O)N1 1061379062 FDOJDWNEBGVUKJ-MNOVXSKESA-N 314.349 -0.288 30 20 DBED C=CCOCC(=O)NC[C@H]1COCCN1C(=O)CC(C)(C)O 1061422789 BNHHGUHPLKAJKC-LBPRGKRZSA-N 314.382 -0.306 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)C1(N(C)C)CCC1 1061655551 QZARZYGOSXOVHC-CHWSQXEVSA-N 322.409 -0.026 30 20 DBED N#Cc1nccnc1N1[C@H]2CC[C@H]1CN(C(=O)Cn1nccn1)C2 1061994972 GZMUKZRDRBFOQE-RYUDHWBXSA-N 324.348 -0.180 30 20 DBED CN(C(=O)[C@H]1COCCO1)[C@@H]1CCN(c2ccnc(C#N)n2)C1 1062887031 SAAHSLOXLLBYIS-VXGBXAGGSA-N 317.349 -0.199 30 20 DBED CN(C(=O)c1nnn(C)n1)[C@H]1CCN(c2ccc(C#N)cn2)C1 1063013433 SZYVTXMRBLTROY-NSHDSACASA-N 312.337 -0.172 30 20 DBED CC(C)C#CC(=O)N1CCO[C@H](CNC(=O)[C@H]2CCN(C)C2)C1 1065132363 DANYCCSEBCICRV-LSDHHAIUSA-N 321.421 -0.059 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@H](CNC(=O)CCc2ncc[nH]2)C1 1065556422 HJSIMFBAAQSGMN-NWDGAFQWSA-N 319.365 -0.154 30 20 DBED C[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@@H]1N=c1cc[nH]c(C#N)n1 1067078047 RPFOSWYOOXZNRN-ZJUUUORDSA-N 312.337 -0.529 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)CCCN(C)C(=O)c1ncn(C)n1 1067332860 APWBCWQORIWQIE-LBPRGKRZSA-N 321.381 -0.226 30 20 DBED N#Cc1cccnc1N1C[C@H](CNC(=O)c2cn[nH]c2)[C@@H](O)C1 1067652193 WOIYDBSCGJEGCF-STQMWFEESA-N 312.333 -0.097 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC2(C1)CN(C(=O)[C@@H](C)C#N)CCO2 1068451095 GPCYUSMOPOPOGR-WFASDCNBSA-N 321.377 -0.087 30 20 DBED C#CCCCC(=O)NC[C@@H]1CCC2(CN(C(=O)CC(N)=O)C2)O1 1068563246 NLYBYAMCAMCMKU-LBPRGKRZSA-N 321.377 -0.459 30 20 DBED N#Cc1ccc(NC[C@H]2C[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)nn1 1068589530 VYDKEOCQCKEZFB-HKWIRBFKSA-N 314.349 -0.224 30 20 DBED C=CCCC(=O)N[C@H]1COC2(C1)CN(C(=O)CNC(C)=O)C2 1068744669 OUTWFWUFUWXDEV-GFCCVEGCSA-N 309.366 -0.425 30 20 DBED C=C(C)CCC(=O)N[C@@H]1COC2(C1)CN(C(=O)CC(=O)NC)C2 1068890298 RMLHRKNNCRQWCF-LBPRGKRZSA-N 323.393 -0.035 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1COC2(C1)CN(C(=O)C1=COCCO1)C2 1069004705 YOKYRMUKALJSNR-WDEREUQCSA-N 321.333 -0.480 30 20 DBED CC1(C)CN(C(=O)CC(N)=O)C[C@@H]1N=c1cc[nH]c(C#N)n1 1069548498 VMWLFPCADNOJRP-VIFPVBQESA-N 302.338 -0.706 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2ccnc(O)c2)C1 1069908057 DIKVECWFHAIMMF-OLZOCXBDSA-N 312.333 -0.333 30 20 DBED C=CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2cn(C)nn2)C1 1069920637 XVZXSHBOLFMQER-YPMHNXCESA-N 316.369 -0.362 30 20 DBED C=CCN[C@@H]1CN(C(=O)c2cnn[nH]2)C[C@H]1c1cncn1C 1070663181 QWJAIVFKLJLDBA-ZYHUDNBSSA-N 301.354 -0.078 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC[C@@H](NC(=O)CC(=O)N(C)C)C1 1070732102 VYAANQJWRGGGQF-QWHCGFSZSA-N 323.393 -0.390 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)[C@H]4CCN(C)C4=O)C[C@@]3(C1)O2 1070840230 SULXTWNTEYSIPU-VWPFQQQWSA-N 317.389 -0.600 30 20 DBED C#CCN1CCC2(C1)CN(C(=O)Cc1c(C)nc(O)nc1O)C2 1073073980 XAFVRHITWWYRES-UHFFFAOYSA-N 316.361 -0.094 30 20 DBED C[C@@H](C(N)=O)N1CCCO[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 1073565313 DBPHUNMEBCWMNV-JQWIXIFHSA-N 319.365 -0.419 30 20 DBED C#CCOCCC(=O)NCC1(O)CCN(C(=O)C2CC2)CC1 1074399005 SOYCAUKBZXEBIE-UHFFFAOYSA-N 308.378 -0.094 30 20 DBED C#CCCCC(=O)N[C@@H]1CCN(C(=O)CNC(N)=O)[C@H](C)C1 1074960453 KURLAXDGCVXVFF-VXGBXAGGSA-N 308.382 -0.046 30 20 DBED C=C(C)[C@H](CC(=O)N(CC)C1CN(C(=O)C(N)=O)C1)OCC 1079884143 HREZVJQEQOLCLP-LBPRGKRZSA-N 311.382 -0.098 30 20 DBED CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)[C@@H]2COCCN2C)C1 1080411713 RNOBSHVPIUFRGM-YPMHNXCESA-N 308.382 -0.464 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCC(CO)(NC(C)=O)CC1 1080652274 XXAPIKHYCNGCLA-AWEZNQCLSA-N 307.394 -0.426 30 20 DBED N#CCSCC(=O)N1C[C@H](CNC(=O)CC2CC2)[C@@H](O)C1 1081158069 MIEBSDDZLUVJNT-RYUDHWBXSA-N 311.407 -0.021 30 20 DBED O=C(Cc1cc[nH]n1)NC[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 1081368745 RRQZOECCMMPSQT-JSGCOSHPSA-N 316.361 -0.699 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(C(=O)c2ncc[nH]2)C[C@@H]1O 1081471399 MVAOUFFMLPVXQI-NEPJUHHUSA-N 302.334 -0.628 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2ccncn2)C1 1081679439 KORSHLIYWXIKSZ-GXTWGEPZSA-N 316.361 -0.315 30 20 DBED O=C(C#CC1CC1)N1CCO[C@@H]2CN(Cc3cnon3)C[C@@H]21 1083076801 DCWAPDZHIVKQAQ-UONOGXRCSA-N 302.334 -0.105 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCn3cc(C)nc3C2)C1 1083568555 DLDMCFUDNRCXQI-MCIONIFRSA-N 302.378 -0.452 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)c2ccc3nnc(C)n3c2)C1 1083590856 XMTBWUPYRIAIBZ-KGLIPLIRSA-N 313.361 -0.164 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN(Cc3cnn(C)n3)C[C@@H]2O)C1 1083756233 JUSGXOMXQFQFOM-OLZOCXBDSA-N 305.382 -0.167 30 20 DBED C=CCN1CC[C@@H]2CN(C(=O)C3CC4(C3)NC(=O)NC4=O)[C@@H]2C1 1084716685 QFLAPUJAPXFRJK-QZCIIZHISA-N 318.377 -0.307 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C[C@H]1c1cnn(C)c1 1086992432 YZFRLOYYDHTLBQ-AALSBFMBSA-N 314.389 -0.170 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2cn(C)ccc2=O)[C@H](O)C1 1090419066 DDGZZJRBNAKPNT-DZGCQCFKSA-N 303.362 -0.426 30 20 DBED COCCC(=O)N1CCO[C@@H]2CN(c3nccnc3C#N)C[C@@H]21 1091032074 CRFSDHIHUCUWGO-QWHCGFSZSA-N 317.349 -0.199 30 20 DBED CCN(CC)CC(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1091109503 YSVMBTRBOSJFGS-OLZOCXBDSA-N 318.381 -0.644 30 20 DBED N#Cc1cncc(N[C@@H]2CC[C@H](CNC(=O)CC(N)=O)C2)n1 1091569139 KEGKZVDSEGGZRQ-VHSXEESVSA-N 302.338 -0.080 30 20 DBED CNC(=O)CC(=O)N[C@H]1CCN(c2ccncc2C#N)C[C@@H]1O 1092148169 NWNJNRJGCNVXQS-AAEUAGOBSA-N 317.349 -0.855 30 20 DBED CNC(=O)CC(=O)NC1[C@H]2CN(c3cc(C)ncc3C#N)C[C@H]12 1093241156 AEUUYHAWKSGXJE-RYUDHWBXSA-N 313.361 -0.051 30 20 DBED N#Cc1ccc(NCCNC(=O)c2nccnc2C(N)=O)nn1 1093624910 DAXALHUEGHFBRA-UHFFFAOYSA-N 312.293 -0.921 30 20 DBED C[C@@H](CN1CCOCC1)C(=O)NCCNc1nccnc1C#N 1093643818 ZONZSMFWPFKQRW-LBPRGKRZSA-N 318.381 -0.155 30 20 DBED Cc1cc(C#N)nc(NCCNC(=O)C[C@@H]2CC(=O)NC2=O)n1 1093717373 KNFDIFDDPHGXSR-SECBINFHSA-N 316.321 -0.762 30 20 DBED CCC[C@@H](NC(N)=O)C(=O)NCCNc1ccc(C#N)nn1 1093775738 GLZRHLCGFHNTMI-SNVBAGLBSA-N 305.342 -0.287 30 20 DBED C#CCO[C@H](C)C(=O)NCCNc1ncnc2c1cnn2C 1093878205 HTITXQRGPLNHKV-SNVBAGLBSA-N 302.338 -0.070 30 20 DBED COC[C@]1(C(=O)NCCN=c2cc[nH]cc2C#N)CCOC1 1094009596 FMUZKDVEIZTMKX-OAHLLOKOSA-N 304.350 -0.044 30 20 DBED N#Cc1nc(=NCCNC(=O)[C@H]2CCCCC(=O)N2)cc[nH]1 1094112579 CLEKGSGIAFNOTC-SNVBAGLBSA-N 302.338 -0.643 30 20 DBED COCC(=O)N[C@H](C)C(=O)NCCNc1ncc(C#N)cc1F 1094185186 KBARTWULQIINSQ-SECBINFHSA-N 323.328 -0.228 30 20 DBED Cc1ccc(C(=O)N[C@@H]2CC(=O)N(C3CN(CC#N)C3)C2)cn1 1094706291 YTQDSLYPZVYQHN-CYBMUJFWSA-N 313.361 -0.072 30 20 DBED C=CCCN1CC(N2C[C@@H](NC(=O)[C@@H]3COC(=O)N3)CC2=O)C1 1094730120 SHKMPVWCDHWRID-JQWIXIFHSA-N 322.365 -0.928 30 20 DBED N#Cc1cnc(N2CCC(NC(=O)CNC(N)=O)CC2)cn1 1095388359 FBIYSBMSTNZNJM-UHFFFAOYSA-N 303.326 -0.898 30 20 DBED CC(C)(C(N)=O)C(=O)N[C@@H]1CCCN(c2nccnc2C#N)C1 1096212517 YLXHIXNXTTURTM-SNVBAGLBSA-N 316.365 -0.055 30 20 DBED CC(=O)NCC(=O)NC[C@H](N=c1cc[nH]c(C#N)n1)C1CC1 1096559036 FFELUEBTNINGJY-NSHDSACASA-N 302.338 -0.787 30 20 DBED CC(C)(C(N)=O)C(=O)N[C@H]1C[C@H](Nc2nccnc2C#N)C1 1097075123 IUXMSWYPZUJHBO-KYZUINATSA-N 302.338 -0.081 30 20 DBED CC(=O)N1CCC[C@H]1C(=O)NC[C@H](C)N=c1cc[nH]c(C#N)n1 1097978086 OFZONBMMFCLXLF-JQWIXIFHSA-N 316.365 -0.302 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)c2cc(C)[nH]n2)[C@H](O)C1 1099709442 IICLLDFHNMGASQ-DGCLKSJQSA-N 321.381 -0.815 30 20 DBED C#CCCCC(=O)N[C@H]1CCN(CC(=O)N(C)C2CC2)C[C@H]1O 1099807609 SDRUFRMQXWXEBS-LSDHHAIUSA-N 321.421 -0.038 30 20 DBED C=CCN1CC[C@H](NC(=O)CS(=O)(=O)CCC)[C@@H](O)C1 1100117169 DAGGXPBFBBAHDR-RYUDHWBXSA-N 304.412 -0.451 30 20 DBED Cc1cc(C(=O)NCC2CC(NCC(=O)NCC#N)C2)ncn1 1100248656 DLQNBVMTHJRUAS-UHFFFAOYSA-N 316.365 -0.477 30 20 DBED CN1CC[C@H](C(=O)NCCN(C)c2ccc(C#N)cn2)C1=O 1100273060 DIDMBWTWPJATFW-GFCCVEGCSA-N 301.350 -0.016 30 20 DBED CN(CC(=O)NCCN(C)c1cncc(C#N)n1)C(=O)C1CC1 1100374995 MYDOJANNWWSFQC-UHFFFAOYSA-N 316.365 -0.231 30 20 DBED C#CCNC(=O)CC(=O)NCCN(CC)c1nccnc1C#N 1100496853 HXQHGVVWPGFZAX-UHFFFAOYSA-N 314.349 -0.570 30 20 DBED C=CCNC(=O)CNC1CC(CNC(=O)[C@@H](CC)NC(C)=O)C1 1100694030 ISPQENJOWBHUEL-JXQTWKCFSA-N 324.425 -0.312 30 20 DBED CCCN(CCNC(=O)[C@H](C)NC(N)=O)c1ccc(C#N)nn1 1101139504 IFVJWHVDRPWOSH-JTQLQIEISA-N 319.369 -0.262 30 20 DBED CN(C[C@H]1CCN(C(=O)CNC(N)=O)C1)c1ccncc1C#N 1102428185 UEIWMULCQSTCSO-LLVKDONJSA-N 316.365 -0.094 30 20 DBED CC[C@H](CNC(=O)[C@H]1CNC(=O)N1)N=c1cc(C)[nH]cc1C#N 1103277742 NYAVVOOEFDRNON-DGCLKSJQSA-N 316.365 -0.328 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)c1cn(C)nn1 1104546361 VBSSTWDAZUDKLU-SECBINFHSA-N 300.326 -0.529 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)[C@]1(C)CNC(=O)C1 1104746899 CUMXJEIGJINABM-BMIGLBTASA-N 316.365 -0.445 30 20 DBED CN(CCN(C)c1ccnc(C#N)n1)C(=O)c1ncn(C)n1 1105385250 YUKAIVQKMMMMSS-UHFFFAOYSA-N 300.326 -0.315 30 20 DBED N#Cc1cnc(NC[C@@H](O)CNC(=O)C2=COCCO2)cn1 1105715281 PPCTYPZPKAHUJP-SNVBAGLBSA-N 305.294 -0.875 30 20 DBED Cc1cc(=NC[C@H](O)CNC(=O)COCC2CC2)c(C#N)c[nH]1 1105719004 WBPPNNFQOKGSBB-AWEZNQCLSA-N 318.377 -0.001 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@H](O)CNc1cc(C)ncn1 1106155122 VDEQFBILBCLDMN-KBPBESRZSA-N 317.393 -0.228 30 20 DBED C#CCNC[C@@H]1CN(C(=O)c2cnc(O)n(C)c2=O)C[C@H]1C 1106513675 IYVVRWHABCOTSU-GHMZBOCLSA-N 304.350 -0.583 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)N2)C[C@H]1C 1106991994 YUDLEMRQLJZEJE-JHJVBQTASA-N 313.423 -0.615 30 20 DBED CC(=O)N[C@H](C)C(=O)NC/C=C/CNc1ccc(C#N)nn1 1107021701 XYZCZNNWRKYZRQ-HMDXOVGESA-N 302.338 -0.043 30 20 DBED C=CCCCC(=O)NCc1cn(C2CN(CC(N)=O)C2)nn1 1107199565 MUGLTJFEJXWPQK-UHFFFAOYSA-N 306.370 -0.407 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)C[C@@H](C)NC(N)=O 1108528828 SXVLPODZLYDDHM-BDAKNGLRSA-N 305.342 -0.866 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H]1CCNC(=O)C1 1109143406 OKDLPVKQSGGKBK-XGUBFFRZSA-N 319.405 -0.116 30 20 DBED CN1CCO[C@H](C(=O)NCC2(N=c3cc[nH]cc3C#N)CC2)C1 1110091155 YZUYJTPIALEDKU-AWEZNQCLSA-N 315.377 -0.234 30 20 DBED C[C@H](NC(N)=O)C(=O)N1CCC[C@H]1CNc1ccc(C#N)nn1 1110539720 IBUWCYWIFBAQAZ-ONGXEEELSA-N 317.353 -0.192 30 20 DBED C[C@H](NC(N)=O)C(=O)N[C@]1(C)CCN(c2cncc(C#N)n2)C1 1110745440 KGBVROMJNAPGBW-LKFCYVNXSA-N 317.353 -0.510 30 20 DBED CCO[C@@H](C)C(=O)NC[C@@]1(O)CCN(c2cnc(C#N)cn2)C1 1111029570 MGCHHQXZMWKDNR-NHYWBVRUSA-N 319.365 -0.169 30 20 DBED N#Cc1c(F)cccc1N1CC[C@@](O)(CNC(=O)CC(N)=O)C1 1111053619 IKRLYSKYKDFBMN-OAHLLOKOSA-N 320.324 -0.370 30 20 DBED Cn1cnc(C(=O)N(CCO)CCNc2cncc(C#N)n2)c1 1111456042 OWOKMGMKNLUTBP-UHFFFAOYSA-N 315.337 -0.372 30 20 DBED COC[C@@H](OC)C(=O)N(CCO)CCNc1ccc(C#N)cn1 1111557112 INDJRLKVXXBISH-CYBMUJFWSA-N 322.365 -0.153 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(c2nccnc2C#N)C[C@H]1O 1112701278 FUPWAKFHPRGBJS-DGCLKSJQSA-N 317.349 -0.536 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)CO[C@H]2CCOC2)CC1 1112847972 DFAOYWNBSQWQAQ-KBPBESRZSA-N 323.393 -0.926 30 20 DBED C[C@@H]1CCN(CC(=O)N2CCN(CC(=O)NCC#N)CC2)C1 1113346028 MSOKBVXTPXIZCK-CYBMUJFWSA-N 307.398 -0.888 30 20 DBED CN(CC(C)(C)CNc1ccc(C#N)nn1)C(=O)CNC(N)=O 1113397099 FUDCXECOIQVJMU-UHFFFAOYSA-N 319.369 -0.087 30 20 DBED COCC#CCN1C[C@@H]2C(NC(=O)Cn3cc(C)cn3)[C@H]2C1 1113952853 KNEFELUXCPVYTJ-KBPBESRZSA-N 302.378 -0.112 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CN(c2cncc(C#N)n2)CC[C@H]1C 1114010543 BJBQRLQWLJKBJZ-ZYHUDNBSSA-N 316.365 -0.185 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)[C@H]3CCNC(=O)C3)[C@@H]2C1 1114137023 QXMXRBHGPFEWEZ-YNEHKIRRSA-N 305.378 -0.791 30 20 DBED C#CCO[C@H](C)C(=O)NC1[C@H]2CN(CC(=O)N3CCC3)C[C@H]12 1114270666 JBDRIQDINMJWRM-AGIUHOORSA-N 305.378 -0.697 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)Cc3cn(C)nc3C)[C@H]2C1 1114414436 UFIYJJDEABKJNP-QLPKVWCKSA-N 316.405 -0.033 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@H](OC)C3CCC3)[C@H]2C1 1114639040 PLKZHZFQKYPRBH-BFJAYTPKSA-N 319.405 -0.403 30 20 DBED C=CCN1C[C@@H]2C(NC(=O)[C@H](Cc3cnc[nH]3)NC(C)=O)[C@H]2C1 1114769575 GAXZVSQPQSUTAQ-IHRRRGAJSA-N 317.393 -0.311 30 20 DBED N#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@@H]3CC34CCC4)[C@H]2C1 1114889172 UVBWJCSEFDUGAH-KZVDOYCCSA-N 302.378 -0.137 30 20 DBED C[C@@H](CN(C)C(=O)[C@@H]1CCC(=O)N1)Nc1cnc(C#N)cn1 1115788055 RDCPDBPSLXBANB-ONGXEEELSA-N 302.338 -0.114 30 20 DBED CN(C)CCOCCNC(=O)C(=O)NCc1ccc(C#N)cc1 1117191149 DAEUNIIXLWPJQX-UHFFFAOYSA-N 318.377 -0.131 30 20 DBED CC(C)(C)c1ncc(NC(=O)C(=O)NCC(=O)NCC#N)cn1 1117460876 JDYFQXDOGYTPDY-UHFFFAOYSA-N 318.337 -0.531 30 20 DBED N#Cc1nc(=N[C@H](CO)CNC(=O)C[C@H]2CCCO2)cc[nH]1 1121099956 MYELDSRMGRFEKE-WDEREUQCSA-N 305.338 -0.772 30 20 DBED Cc1cc(=N[C@@H](CO)CNC(=O)Cc2ccon2)c(C#N)c[nH]1 1121257078 GPPGXYVGAVJCOB-CYBMUJFWSA-N 315.333 -0.197 30 20 DBED C=CCOCC(=O)NC[C@@H](CO)Nc1ncnc2[nH]cnc12 1121324753 QKVTWWMHPBVZDX-VIFPVBQESA-N 306.326 -0.556 30 20 DBED CCc1[nH]ccc1C(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1 1121393147 LLDVNEGKKMBZEB-JTQLQIEISA-N 314.349 -0.137 30 20 DBED CO[C@H](C(=O)NC[C@H](CO)Nc1nccnc1C#N)C(C)C 1122445337 PKTXYJMFIRCFGH-PWSUYJOCSA-N 307.354 -0.092 30 20 DBED C[C@@H]1[C@@H](Nc2nccnc2C#N)CCN1C(=O)CNC(N)=O 1122932058 SEZGETINLNZTHA-BDAKNGLRSA-N 303.326 -0.582 30 20 DBED C[C@H]1C[C@@H](N=c2cc[nH]cc2C#N)CN1C(=O)CNC(N)=O 1123145972 IIMCUQCPPYNPEK-GXSJLCMTSA-N 302.338 -0.555 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)c1cccnn1 1124460306 JZTNVMQBGTZVRD-JTQLQIEISA-N 313.321 -0.895 30 20 DBED CN(C[C@@H](O)CNc1nccnc1C#N)C(=O)c1cccnn1 1124460588 PVIMZKNUBTWQCE-JTQLQIEISA-N 313.321 -0.317 30 20 DBED COCCOC[C@@H](O)CNCCNC(=O)c1cc(C#N)c[nH]1 1125361157 QGAWOYDYKUJKNP-LBPRGKRZSA-N 310.354 -0.770 30 20 DBED CCOCCCC(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1 1128736353 JRSBAVMEXRTNRH-OLZOCXBDSA-N 306.370 -0.040 30 20 DBED CO[C@@H]1CCC[C@H](CC(=O)NCCNCC(=O)NCC#N)C1 1129143058 OGVQRZLFJNYGQI-QWHCGFSZSA-N 310.398 -0.073 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)C2(N(C)C)CCC2)C1=O 1129358497 SLEGCUOGPBNRDA-ZDUSSCGKSA-N 308.426 -0.037 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1 1129482243 SGSREUSYGXRLST-XQQFMLRXSA-N 304.354 -0.266 30 20 DBED CC(=O)CCCC(=O)N1C[C@H](n2ccnn2)[C@H](NCC#N)C1 1129568605 IDPPBLZAPOMKJK-OLZOCXBDSA-N 304.354 -0.098 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)COCCCOC)C[C@@]3(C1)O2 1131283254 RNISPVMNWIMNKW-BFYDXBDKSA-N 322.405 -0.026 30 20 DBED CC#CCN1CCNC(=O)CCN(C(=O)[C@@H](C)NC(C)=O)CC1 1131325376 CATVTTMJPDYEIU-CYBMUJFWSA-N 322.409 -0.815 30 20 DBED C#CCCN1CCNC(=O)CCN(C(=O)CN(C)C(C)=O)CC1 1131334589 VMFILTCFMUULDJ-UHFFFAOYSA-N 322.409 -0.862 30 20 DBED C#CCN1CC[C@@]2(C1)CN(C(=O)CCCC(N)=O)C[C@@H](C)O2 1131704326 VNNRDZWTRABXLZ-CZUORRHYSA-N 307.394 -0.033 30 20 DBED C=CCCn1cc(C(=O)NCCNCC(=O)N2CCCC2)nn1 1135072466 XDUHPJWNNXGVHT-UHFFFAOYSA-N 320.397 -0.204 30 20 DBED C#CCO[C@H](C)C(=O)N1CC2(CCN(Cc3cnnn3C)C2)C1 1147530046 DUGALXAFRCMPAI-CYBMUJFWSA-N 317.393 -0.112 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1c(C)nn(C)c1F 1149364850 QWBWVNMPZOAEQG-SNVBAGLBSA-N 309.345 -0.675 30 20 DBED C#CCCN1CCCO[C@H](CNC(=O)CCc2nc[nH]n2)C1 1149503913 CWYBPSBUZZCACX-CYBMUJFWSA-N 305.382 -0.032 30 20 DBED CC#CCN1CCCO[C@H](CNC(=O)C[C@H](C)NC(N)=O)C1 1149722026 VKPWYAILAKULOZ-QWHCGFSZSA-N 310.398 -0.336 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)C(=O)N2CC[C@@H](C)C2)C1 1150571879 KRUPOSFJEUAEAC-ZIAGYGMSSA-N 307.394 -0.305 30 20 DBED CC#CCN1CCCO[C@@H](CNC(=O)CN2C(=O)CCC2=O)C1 1150685489 NBBJKNGAWHIGAH-ZDUSSCGKSA-N 321.377 -0.634 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@@H](C)OC[C@H]1CCCO1 1153176997 NCFJVPHZNDYMFV-CHWSQXEVSA-N 313.398 -0.422 30 20 DBED Cc1cc(C)n([C@@H](C)C(=O)NCCNCC(=O)NCC#N)n1 1153291601 HJYLGZWFVBPRMC-LBPRGKRZSA-N 306.370 -0.593 30 20 DBED CCN(CC#CCOC)[C@H](C)CNC(=O)C1(C(=O)NC)CC1 1155802085 GZMZUGOGRANDBA-CYBMUJFWSA-N 309.410 -0.011 30 20 DBED CC(C)C#CC(=O)NCCCNC[C@@H](O)CN1C(=O)CCC1=O 1157638844 QNKKJPMXRWGTLF-CYBMUJFWSA-N 323.393 -0.748 30 20 DBED COCC#CCNCCCNC(=O)CCN1C(=O)CCC1=O 1162048811 CYWHBXBEPVMWPM-UHFFFAOYSA-N 309.366 -0.729 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)[C@@]12CCCN(CC1)C2 1174769447 UMFSDBYOCJZPGL-PBHICJAKSA-N 320.437 -0.294 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)[C@@H]1CCN(C(C)=O)C1 1174851686 YEGGYWNWUZZLMH-GXTWGEPZSA-N 322.409 -0.911 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)[C@@H]1CCC(=O)N(C)C1 1177025135 BVDKUTQBXBBHFL-CHWSQXEVSA-N 324.425 -0.359 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](NCCNC(=O)C2CC2)C1 1182522269 FZSVHBDYTKUOQV-CQSZACIVSA-N 307.394 -0.257 30 20 DBED C=CCOCC(=O)N1CC[C@H](CNCC(=O)NCC#N)[C@@H](C)C1 1184089168 OCQVIGJGEUVMKZ-UONOGXRCSA-N 322.409 -0.097 30 20 DBED C#CCNC[C@@H]1CCN(C(=O)CCS(=O)(=O)NC)C[C@H]1C 1184411586 FGEPVILORSEODB-OLZOCXBDSA-N 315.439 -0.367 30 20 DBED C=CCCC(=O)N1CC[C@H]2CN(CC(=O)NC(=O)NC)C[C@H]21 1187232992 MITDXAGGKNZRQE-NWDGAFQWSA-N 308.382 -0.059 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)[C@H]3CCCN3C)[C@@H]2C1 1187304507 IQKDPBRMVKYHEG-RRFJBIMHSA-N 318.421 -0.637 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CN(CC(=O)NCC)C[C@H]21 1187882787 VYIAKDWCAKWYPO-MELADBBJSA-N 307.394 -0.307 30 20 DBED Cc1c(C(=O)N2CC[C@H](N(C)CC(=O)NCC#N)C2)cnn1C 1188861418 CSLBGIVXCQSXHL-LBPRGKRZSA-N 318.381 -0.485 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)Cc2cc[nH]n2)C1 1189500537 VBKUEUFFECKZTK-ZDUSSCGKSA-N 303.366 -0.766 30 20 DBED CN(CC(=O)NCC#N)[C@@H]1CCN(C(=O)c2csc(O)n2)C1 1191849060 KBPJDKMNYOOWID-SECBINFHSA-N 323.378 -0.365 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)CCn2c(C)csc2=O)C1 1193805608 PXBVUDRBGKKCNK-VXGBXAGGSA-N 311.407 -0.044 30 20 DBED C#CCCN(C)[C@H]1CCN(C(=O)[C@@H]2COCCN2C(C)=O)C1 1194124183 JIEWBDCPJQWKLO-GJZGRUSLSA-N 307.394 -0.210 30 20 DBED C=CCO[C@H](C)C(=O)N1CC[C@@H](N(C)Cc2nc(=O)n(C)[nH]2)C1 1194397468 VWOPMRWNWKSXOK-VXGBXAGGSA-N 323.397 -0.268 30 20 DBED C#CCNC(=O)[C@H](C)N1CCCN(C(=O)CSCC#N)CC1 1194919458 URSYYJJLOAFSDU-ZDUSSCGKSA-N 322.434 -0.085 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)CNC(=O)c2ccc(F)cc2)C1 1198359228 GZCSDWMOVXMXMG-ZIAGYGMSSA-N 319.336 -0.650 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)CCCOc2cccnc2)C1 1198869857 DGXVFDWSMPNDTQ-ZIAGYGMSSA-N 304.350 -0.075 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)c2cc[n+]([O-])cc2)CC1 1199178137 SIFGPNCEGDNOPN-UHFFFAOYSA-N 318.377 -0.184 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2cnnn2CC)C[C@H]1O 1199313367 KBHXSLUBCPHXNG-MRVWCRGKSA-N 323.397 -0.450 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)[C@H]2CCCCO2)CC1 1200078062 FCRCEQXJGMJRLH-CQSZACIVSA-N 307.394 -0.115 30 20 DBED C[C@H]1CCN(C(=O)C(=O)N2CCCO[C@@H](CNCC#N)C2)C1 1201824194 RCTIVBGXCVCEQL-STQMWFEESA-N 308.382 -0.415 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)C(C)(C)NC(=O)NC)CCCO1 1202141813 SGDMZFBOXDNVGI-CYBMUJFWSA-N 324.425 -0.076 30 20 DBED N#CCNC(=O)CN[C@H]1C[C@@H](NC(=O)c2cocn2)C12CCC2 1202616674 ITBVYHVXNWVEEK-NWDGAFQWSA-N 317.349 -0.055 30 20 DBED C=CCNC(=O)CNCC1CCN(C(=O)[C@H](C)NC(C)=O)CC1 1204393303 GJGKJHIIGPRUAK-LBPRGKRZSA-N 324.425 -0.359 30 20 DBED CC#CCN[C@H]1C[C@H]2CC[C@H]1N(C(=O)CN1CCOCC1=O)C2 1204444503 QAURFLVZFUFLCT-QLFBSQMISA-N 319.405 -0.162 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC(CNCC(N)=O)CC1 1206507270 DMLCFNRFNUNPLX-AWEZNQCLSA-N 324.425 -0.229 30 20 DBED C=C(C)CN(CC)C(=O)CN1C[C@@H](NC(=O)CC(N)=O)[C@H](C)C1 1206746542 IQMLBJGLLBMLHQ-CHWSQXEVSA-N 324.425 -0.277 30 20 DBED CNC(=O)NC(=O)[C@H](C)N1C[C@@H](NC(=O)C#CC2CC2)[C@H](C)C1 1206953055 PKSSJLBMCKPLFD-NTZNESFSSA-N 320.393 -0.320 30 20 DBED CCCNC(=O)NC(=O)CN[C@H]1CCCN(C(=O)[C@@H](C)C#N)C1 1207688437 PEQCQEOHJJZYOP-RYUDHWBXSA-N 323.397 -0.038 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)c2cnnc(O)c2)C1 1208380401 DQXJNDCMQKYWSF-GFCCVEGCSA-N 319.365 -0.321 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)c2[nH]c(O)nc2C)C1 1208381189 PEMGEBQHPUNMQL-LLVKDONJSA-N 319.365 -0.633 30 20 DBED CC#CCN[C@H]1CCCN(C(=O)CN2CC(=O)N(C)C2=O)C1 1210653851 ALFKYPGTDLOVRY-LBPRGKRZSA-N 306.366 -0.516 30 20 DBED C=CCC[C@H](C)N1C[C@@H](NC(=O)Cn2ncnn2)[C@H](OC)C1 1212281830 CMPYUKJQTAWCFA-YNEHKIRRSA-N 308.386 -0.157 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)CCCC 1217305840 KASDVIOADPSCGD-UONOGXRCSA-N 307.394 -0.162 30 20 DBED CC1(CC(=O)N2CCO[C@@H]3CN(CC(=O)NCC#N)C[C@@H]32)CC1 1218313389 NPJFDOCIKNXBEH-QWHCGFSZSA-N 320.393 -0.272 30 20 DBED C#CCCCCC(=O)N[C@@H]1CN([C@H](C)c2nnnn2C)C[C@@H]1O 1219482282 UFASWPUTQCFXTG-UPJWGTAASA-N 320.397 -0.374 30 20 DBED C=CCCC1(C(=O)N[C@@H]2CN([C@H]3CCNC3=O)C[C@@H]2O)CC1 1220282984 SACLUQUHIQVPNP-AGIUHOORSA-N 307.394 -0.217 30 20 DBED C=CCCCN1C[C@H](O)[C@H](NC(=O)[C@H](C)CS(C)(=O)=O)C1 1221102212 MLWUGWZYIDZWFU-UPJWGTAASA-N 318.439 -0.205 30 20 DBED C#CCOCCC(=O)N1C[C@H]2CCN(Cc3nncn3C)C[C@H]21 1221544879 LJBPQCVKHAZKGE-ZIAGYGMSSA-N 317.393 -0.112 30 20 DBED C#CCN1CCS(=O)(=O)[C@@H](CCNC(=O)[C@@H]2CCCO2)C1 1230416448 IXKTYPNLFUYNHB-STQMWFEESA-N 314.407 -0.596 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@@H]1CN(C)C(=O)Cn1cccn1 1230763459 YLZSYATYRCLYSS-UONOGXRCSA-N 317.393 -0.446 30 20 DBED Cc1csc(NC(=O)C(=O)NCCn2cnc(C#N)n2)n1 1261092201 UUNUFROCOFVESS-UHFFFAOYSA-N 305.323 -0.330 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)N2CCC[C@@]23CCOC3=O)C1 1261487259 QRQYNCDHWLYOQN-GJZGRUSLSA-N 321.333 -0.828 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2CCO)CCN1C1CC1 1261861542 ZWSSXYSIGKZPBQ-GXTWGEPZSA-N 320.393 -0.441 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N(C)CC(=O)N1CCCC1 1261988487 PDDMNZGDDLJSSA-CYBMUJFWSA-N 323.393 -0.388 30 20 DBED C=CCNC(=O)[C@@H](C)NC[C@H]1CCCN1C(=O)c1[nH]nnc1C 1270105474 OVSNCZLGHILYIV-VXGBXAGGSA-N 320.397 -0.002 30 20 DBED CC(=O)NCCNC(=O)N(C)CCCc1[nH]nc(N)c1C#N 1320211235 FGXSISIEPRHMPX-UHFFFAOYSA-N 307.358 -0.426 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N[C@@H](C)[C@@H](C)N1CCOCC1 1322776446 ITFISVJVVBAKCY-LSDHHAIUSA-N 319.405 -0.303 30 20 DBED N#Cc1cccc(NC(=O)C(=O)N[C@H]2CC[C@@H](C(N)=O)C2)n1 1326047385 MEQXEUFVHGMQGL-BDAKNGLRSA-N 301.306 -0.338 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCC[C@H](C(=O)OCC)C1 1326804339 QUIXOAAOWKFKQP-LBPRGKRZSA-N 310.350 -0.446 30 20 DBED C#C[C@H](NC(=O)C(=O)Nc1ccn(CC(=O)N(C)C)n1)C(C)C 1327029851 OQMCFHUXZIUBIG-NSHDSACASA-N 319.365 -0.316 30 20 DBED C=CCCOCCNC(=O)C(=O)N1CCC(O)(CO)CC1 1330981072 DVWSUOTVGCVIBG-UHFFFAOYSA-N 300.355 -0.959 30 20 DBED C=CCNC(=O)[C@H](C)OC(=O)c1ncsc1S(N)(=O)=O 1337728345 UCMWMMMHVMYJHT-LURJTMIESA-N 319.364 -0.362 30 20 DBED CCN(C(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O)C1CC1 1342101593 WGUDXKIHHHYPPR-SEYXRHQNSA-N 320.349 -0.360 30 20 DBED C#CC1CCN(C(=O)C(=O)N[C@@H](C)CN2CCOCC2)CC1 1345838796 DTRNEILXUFPWAA-ZDUSSCGKSA-N 307.394 -0.305 30 20 DBED C#CCN(C(=O)C(=O)N[C@@H]1CCc2nnnn2CC1)C(C)C 1351488842 BQVBLHJUYUMPCU-LLVKDONJSA-N 304.354 -0.636 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N1CC[C@@H](C2OCCO2)C1 1351528894 IQWANIZMRSVMNF-CHWSQXEVSA-N 324.377 -0.248 30 20 DBED C[C@H](O)C[C@@H]1CCCN1C(=O)Cn1cc(C#N)c(O)nc1=O 1362313937 QNRZZWFOFVEETA-ONGXEEELSA-N 306.322 -0.418 30 20 DBED Cc1cccnc1NC(=O)CCNC(=O)Cn1cnc(C#N)n1 1362806843 MJVDSKYJTUNVHI-UHFFFAOYSA-N 313.321 -0.002 30 20 DBED N#Cc1cn(CCNC(=O)CCCn2cncn2)c(=O)nc1O 1363127086 HWWVTGKTJYYWHL-UHFFFAOYSA-N 317.309 -0.991 30 20 DBED N#Cc1ncn(CCNC(=O)N[C@@H]2C[C@@H]3CCCCN3C2=O)n1 1365385709 XBCBOMTYHAZOME-WDEREUQCSA-N 317.353 -0.398 30 20 DBED CC(=O)N(C)CC(=O)N1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 1372478854 XTHVCOIINUVPBU-LBPRGKRZSA-N 317.349 -0.305 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)C(C)(C)CN2CCOCC2)C1 1387756001 IOYSNAHZFZKSNE-LBPRGKRZSA-N 322.409 -0.169 30 20 DBED CNC(=O)NCC(=O)N1CC(CNC(=O)c2cc(C#N)c[nH]2)C1 1398733237 KTBCQGAZJQZOLK-UHFFFAOYSA-N 318.337 -0.996 30 20 DBED C=C(Br)CNC[C@H](O)CNC(=O)[C@H]1COCCO1 1406186965 KBSKSWQUMVCYKF-VHSXEESVSA-N 323.187 -0.623 30 20 DBED C[C@H](C#N)C(=O)NCC1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1409175900 MGVHZSBHAKXVIB-VZZFWQQMSA-N 321.377 -0.228 30 20 DBED C[C@H]1C[C@H](NC(=O)Cn2cc(C#N)c(O)nc2=O)CN1C1CC1 1411898856 PGZZFGVZBQEBNQ-ONGXEEELSA-N 317.349 -0.438 30 20 DBED COC1([C@@H](C)Nc2c(C#N)c(=O)n(C)c(=O)n2C)CCOCC1 1421162444 WIEGGDCYSFDANH-SNVBAGLBSA-N 322.365 -0.048 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](NC(=O)CCn2cnccc2=O)C1 1427799834 BMUCOIQOLVGAOA-NWDGAFQWSA-N 317.349 -0.490 30 20 DBED COc1ncc(C(=O)N(C)C[C@H](O)CNC(=O)[C@@H](C)C#N)cn1 1428248882 IZRVLELITBGFCF-GXSJLCMTSA-N 321.337 -0.806 30 20 DBED CC(=O)NCC(=O)NC1CC2(C1)CC(NC(=O)[C@H](C)C#N)C2 1453522896 POLLXOUIAPRVBM-WEKLGNRTSA-N 306.366 -0.174 30 20 DBED N#Cc1ncn(CC(=O)N2CC[C@@H](C(=O)Nc3cn[nH]c3)C2)n1 1468259167 XBTWWXOMRHZYDO-SECBINFHSA-N 314.309 -0.640 30 20 DBED N#CCOc1cccc(CC(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)c1 1470807533 KMKIMTIMQDKZED-CHWSQXEVSA-N 324.358 -0.594 30 20 DBED N#Cc1cn(CCC(=O)NC2CCC(=O)CC2)c(=O)nc1O 1471639945 XIENIWMWUUHHLH-UHFFFAOYSA-N 304.306 -0.161 30 20 DBED CC(=O)NCC(=O)N[C@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1 1492204046 MNCSIEZAZHHCCC-LBPRGKRZSA-N 317.349 -0.257 30 20 DBED C=CCN(C)c1nnc(Cn2cc(CCO)nn2)n1CCOC 1523681183 ZCAKLXOGFULBHU-UHFFFAOYSA-N 321.385 -0.279 30 20 DBED C#CCOCCN(C)C(=O)C1=CC=CN2CCS(=O)(=O)N=C12 1529426671 RQZRCIRUWXJPFH-UHFFFAOYSA-N 323.374 -0.408 30 20 DBED C#CCO[C@@H](C)C(=O)NC1(CC(=O)O)CCS(=O)(=O)CC1 1573311448 QNBUNHYYGXELOF-JTQLQIEISA-N 317.363 -0.437 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CCN1C(=O)CCOCc1cnn[nH]1 1575179986 YDYSPZNIKFJONN-PWSUYJOCSA-N 320.353 -0.412 30 20 DBED Cn1cc(-c2nn[nH]n2)c(NC(=O)N2CCO[C@](C)(C#N)C2)n1 1581754157 ISAOSZKGPFDYOH-GFCCVEGCSA-N 317.313 -0.253 30 20 DBED C=CCN(C(=O)Cn1cnc(-c2nn[nH]n2)n1)[C@H](C)COC 1588625737 ONTYHPXQUBWBEM-SECBINFHSA-N 306.330 -0.492 30 20 DBED CCc1nn(CC(=O)NCC#N)c(=O)c(-c2nn[nH]n2)c1CC 1590929393 NSRIIWGYQBNWNN-UHFFFAOYSA-N 316.325 -0.812 30 20 DBED N#Cc1nc(NC(=O)[C@]2(O)CCSC2)[nH]c1-c1nn[nH]n1 1592683203 NHEGDCUBMLCQJX-JTQLQIEISA-N 306.311 -0.732 30 20 DBED Cc1onc(CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O)c1C#N 1600864824 YFXFUJJXRWKPED-BQBZGAKWSA-N 308.294 -0.509 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)O[C@H]1CCN(CC(=O)O)C1=O 1602709982 NHNUYCWFCAWGKE-MNOVXSKESA-N 312.322 -0.314 30 20 DBED C[C@H](CN=c1cc[nH]cc1-c1nn[nH]n1)NC(=O)[C@H](C)C#N 1602983435 ISQVFAWDXZQUDV-RKDXNWHRSA-N 300.326 -0.240 30 20 DBED N#CCN(CCC(=O)O)C(=O)c1sccc1S(N)(=O)=O 1608186233 GGWKPJPDLYXSON-UHFFFAOYSA-N 317.348 -0.164 30 20 DBED C=CCSCCNC(=O)C(=O)N1C[C@@H](O)C[C@@H](C(=O)O)C1 1609461607 DXNKGLXYQFVFGG-ZJUUUORDSA-N 316.379 -0.684 30 20 DBED Cn1nnc2c(=O)n(CC(=O)NCc3cccc(C#N)c3)cnc21 1652896910 VZUXGAWCVVRWKG-UHFFFAOYSA-N 323.316 -0.287 30 20 DBED C=CCNC(=O)CNCCN(C)C(=O)Cc1cnn(C)c1C 1753196298 LTLNDYWMCJIARQ-UHFFFAOYSA-N 307.398 -0.379 30 20 DBED CC#CCN[C@H](CNC(=O)[C@H]1CCS(=O)(=O)N1)C(C)C 1753842374 JTOHWLLXODDDEE-VXGBXAGGSA-N 301.412 -0.568 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@@H](C)NC(=O)C1(C(=O)NC)CCC1 1754249237 CJZFDBSMBOZLAA-VXGBXAGGSA-N 322.409 -0.865 30 20 DBED COCC#CCN1CCC2(CC1)CCN(C(=O)CC(N)=O)C2 1754559885 WRZOXNHWKYRVMC-UHFFFAOYSA-N 307.394 -0.174 30 20 DBED C#CCOCCC(=O)N1C[C@@H]2CN(Cc3cnn(C)n3)C[C@@H]2C1 1754841911 BMXUBZZPQZVRNJ-OKILXGFUSA-N 317.393 -0.255 30 20 DBED C#CCNC(=O)CNC1(CNC(=O)CN2CC[C@H](C)C2)CCC1 1754987467 SUIZZGVRAZMFRS-AWEZNQCLSA-N 320.437 -0.294 30 20 DBED COc1ccnc(C(=O)N[C@H](C)[C@@H](C)NCC(=O)NCC#N)c1 1755248596 KIFOJRDCVBAGEZ-GHMZBOCLSA-N 319.365 -0.174 30 20 DBED C=CCNC(=O)CN[C@H](C)CN(C)C(=O)c1cn(C)c(O)n1 1755607580 XYMWSGVXOBPQMP-SNVBAGLBSA-N 309.370 -0.522 30 20 DBED C=CCN1CC[C@H](NC[C@@H](O)CN(C)C(=O)c2cnco2)C1=O 1755784093 GUGHKAVRIVHZTJ-NEPJUHHUSA-N 322.365 -0.516 30 20 DBED COCC#CCN(C)C[C@H](O)CN(C)C(=O)[C@]1(F)CCOC1 1755805654 YQOMAQXOQJDYAP-ZFWWWQNUSA-N 316.373 -0.484 30 20 DBED C=CCN(C)C[C@@H](O)CN(C)C(=O)[C@]1(C)CCCS1(=O)=O 1755806411 DWOVMAQTGCGBFB-OCCSQVGLSA-N 318.439 -0.109 30 20 DBED CC#CCNCCOCCN(C)C(=O)C1CC(=O)NC(=O)C1 1755877104 YRYFPRPBXCUMPF-UHFFFAOYSA-N 309.366 -0.873 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@H](CO)NC(=O)c1ccncc1C 1756515847 QLMGOULGWQPARC-WBMJQRKESA-N 321.377 -0.076 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)C[C@H](O)CNC(=O)CC1CC1 1756669704 RFOVBVCHAZENBJ-CABCVRRESA-N 321.421 -0.180 30 20 DBED C=CCOCC(=O)NC[C@@H](O)CN(C)C(=O)c1c[nH]nc1C 1756672142 PWXLCDUODCIGPM-LLVKDONJSA-N 310.354 -0.530 30 20 DBED C[C@H]1CN(c2nnc(Cn3cnc(C#N)n3)n2C)CCCO1 1772150765 ZKWQRSVQMUTXQR-JTQLQIEISA-N 302.342 -0.058 30 20 DBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)O)C2)C1 1783516425 LBODRLQZUYPEHS-IOASZLSFSA-N 324.377 -0.765 30 20 DBED C[C@@H](CN)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC#N)C[C@@H]21 1786784054 XRRLXZWUEHFANB-XUXIUFHCSA-N 322.409 -0.135 30 20 DBED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](N)[C@@H](C)CC)[C@H]2C1 1786824673 MLMRFAURIDMTFR-SMSYFYOWSA-N 321.421 -0.027 30 20 DBED CC[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1CC1)C2 1792860572 RYFWELVYJPMUOY-HLPPOEQASA-N 320.389 -0.240 30 20 DBED N#CCC(=O)N1CCCC12CN(C(=O)CCc1nc(N)n[nH]1)C2 1842622442 NAOFOWFHJLLDLZ-UHFFFAOYSA-N 317.353 -0.563 30 20 DBED C[C@H](O)C(=O)N1CC2(CCCN2C(=O)C(C)(C)NCCC#N)C1 1842921143 OEKCEOHNMGNXRW-LBPRGKRZSA-N 322.409 -0.148 30 20 DBED C#CC(=O)N1CCCC12CN(C(=O)C(=O)Nc1cccnc1)C2 1845959359 HRAGNSOICLVMSE-UHFFFAOYSA-N 312.329 -0.143 30 20 DBED C#CCNC(=O)CN1CCN(CC(=O)N2CCCCCC2)CC1 27544596 VYGPNSIKQIOALC-UHFFFAOYSA-N 320.437 -0.244 30 20 DBED COCCN(CC(=O)N[C@](C)(C#N)C1CC1)CC(=O)N(C)C 51921092 ZGHQBDDTUXKPSD-OAHLLOKOSA-N 310.398 -0.169 30 20 DBED CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N1CCN(CC(N)=O)CC1 54978233 BAFGTTKWJSBQCQ-SWLSCSKDSA-N 309.414 -0.468 30 20 DBED COC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(C#N)nc1 122461760 KQGVFBJBDBAICG-KOLCDFICSA-N 311.319 -0.750 30 20 DBED C#CCOCCC(=O)N1CCN([C@H](C)C(=O)NC2CC2)CC1 161222484 ODIPKVXYAAOEBY-CYBMUJFWSA-N 307.394 -0.162 30 20 DBED Cc1c(C(=O)N(C)CCC#N)cnc2c1c(=O)n(C)c(=O)n2C 162862019 JEWTUDUOFIHHPF-UHFFFAOYSA-N 315.333 -0.074 30 20 DBED CN(C)S(=O)(=O)CCNS(=O)(=O)c1ccc(C#N)cc1 231009119 ONZCOPQLBGXXLY-UHFFFAOYSA-N 317.392 -0.272 30 20 DBED N#Cc1ccccc1S(=O)(=O)NC[C@H]1CC(C(N)=O)=NO1 281566506 VCHLCWSTXAQRBC-SECBINFHSA-N 308.319 -0.533 30 20 DBED CC(C)N1C(=O)C[C@H](NS(=O)(=O)N(C)C[C@H](C)C#N)C1=O 281851545 YJVTXKQCTKCGPU-ZJUUUORDSA-N 316.383 -0.552 30 20 DBED C#CCNS(=O)(=O)c1ccc(C(=O)N(C)CC(=O)OC)cc1 298073609 MGRVSQWEGQGAOW-UHFFFAOYSA-N 324.358 -0.157 30 20 DBED Cn1c(=O)nc(O)c2cc(/C(O)=N/C[C@@H]3COCCO3)cnc21 328926400 FFXVWRQNZYSADK-SECBINFHSA-N 320.305 -0.246 30 20 DBED O/C(=N/[C@H]1COC[C@H]1n1ccnn1)N1C[C@@H]2CC[C@H](O)[C@H]2C1 329515634 OPEYBQABAYUFGS-NWBUJAPZSA-N 307.354 -0.165 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)CCCS(=O)(=O)N(C)C 332510491 XFFMLMBYICNGPI-JTQLQIEISA-N 311.429 -0.168 30 20 DBED CN(CCC#N)C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 332707012 NSTWSMZFDRBJCW-UHFFFAOYSA-N 301.306 -0.382 30 20 DBED CCN(CC)C(=O)CN(C)S(=O)(=O)N1CCO[C@H](C#N)C1 336892722 KRJDRQUKMFENLU-LLVKDONJSA-N 318.399 -0.744 30 20 DBED CCN(CCC#N)S(=O)(=O)N[C@@H]1CCc2nc(C)nn2C1 337102267 WZWHHPDQXRJVHK-LLVKDONJSA-N 312.399 -0.029 30 20 DBED C=CC[C@H](CO)CNC(=O)NC1CCN(S(C)(=O)=O)CC1 341651530 AWILTYUYYZMVLU-NSHDSACASA-N 319.427 -0.106 30 20 DBED C=CCOC[C@H]1NC(=O)N([C@@H](C)CS(=O)(=O)CC)C1=O 348580579 BLRMWPSSAYAMOM-VHSXEESVSA-N 304.368 -0.067 30 20 DBED COc1cc(C#N)ccc1OCC(=O)N[C@H]1CN(C)NC1=O 349664135 GLGFIHIYYBACJO-JTQLQIEISA-N 304.306 -0.593 30 20 DBED Cc1nn(C)c(N2CCN(Cc3nc(O)n[nH]3)CC2)c1C#N 349916730 XLAQROJJBUEPAH-UHFFFAOYSA-N 302.342 -0.254 30 20 DBED CCC[C@@H](NS(=O)(=O)N(CCC#N)CCOC)C(N)=O 352538239 HHLUWIDDVKMQHV-SNVBAGLBSA-N 306.388 -0.663 30 20 DBED CC[C@H](CCO)NC(=O)C(=O)Nc1nn(C(C)C)cc1C#N 359395365 VBHDTWMTNNJEKG-LLVKDONJSA-N 307.354 0.551 30 20 DBED CC(C)OC[C@@H]1CN(c2c(C#N)c(=O)n(C)c(=O)n2C)CCO1 364214618 HLARRZPIAUGMQB-NSHDSACASA-N 322.365 -0.414 30 20 DBED CC[C@H]1CN(CC)CCN1S(=O)(=O)N1CCO[C@H](C#N)C1 451937756 VSGPUBIQKOKMGC-QWHCGFSZSA-N 316.427 -0.128 30 20 DBED C#CCNC(=O)C1CCN(C(=O)NC[C@]2(OC)CCOC2)CC1 491154245 HNVAYVCLNDLLRV-MRXNPFEDSA-N 323.393 -0.037 30 20 DBED C#CCNC(=O)C1CCN(C(=O)NCC(=O)NCC2CC2)CC1 491690031 ALGQKGYQGSHYPV-UHFFFAOYSA-N 320.393 -0.316 30 20 DBED COC(=O)N[C@@H](C)C(=O)NS(=O)(=O)CC1(C#N)CCC1 495430398 VASFCHGFSKEHFU-QMMMGPOBSA-N 303.340 -0.129 30 20 DBED N#Cc1ccc(S(=O)(=O)CCNCC(=O)NCC2CC2)nc1 566132082 JWTOYGHOMOAJRP-UHFFFAOYSA-N 322.390 -0.157 30 20 DBED CCOC1CC(O)(CNC(=O)C(=O)Nc2cccc(C#N)n2)C1 592290306 IVTNEGLVRKTYAA-UHFFFAOYSA-N 318.333 -0.062 30 20 DBED N#CCCN1CCN(C(=O)C(=O)NCCCOC(F)F)CC1 602275464 YRPXFAARQBWNHU-UHFFFAOYSA-N 318.324 -0.210 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@]2(C#N)CCSC2)C1=O 604527349 SRJBFKKBOLNJGY-CYBMUJFWSA-N 322.346 -0.521 30 20 DBED CC#CC[C@@H](CO)NC(=O)C(=O)N=c1cc(C2CC2)n(C)[nH]1 646950749 JWAQGVTUELPIKN-NSHDSACASA-N 304.350 -0.452 30 20 DBED CNC(=O)[C@@H](O)CNS(=O)(=O)c1cccc(Cl)c1C#N 757728800 QNLLFHOBGZUMCT-VIFPVBQESA-N 317.754 -0.403 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)OC[C@H]2CCCOC2)C1=O 760769157 IMRFKKMWUUSPKB-JTQLQIEISA-N 310.306 -0.067 30 20 DBED Cc1nn2c(C=NNC(=S)NCC(N)=O)c(C)nc2s1 765576658 OYAIUWXUTPXOJT-UHFFFAOYSA-N 311.396 -0.309 30 20 DBED CCOC(=O)CON=C(C(=O)N1CC(OC)C1)c1cc[nH]n1 772265887 JCARUFIPVQNQFZ-UHFFFAOYSA-N 310.310 -0.449 30 20 DBED N#Cc1cccc(OCC(=O)NCCN2CCNC(=O)C2)c1 781210021 ZAHSJXYNOBPIML-UHFFFAOYSA-N 302.334 -0.515 30 20 DBED C=CCS(=O)(=O)CCNC(=O)[C@@H](C)N1C(=O)CCC1=O 783547630 OQXNVCWNLNELMM-SECBINFHSA-N 302.352 -0.759 30 20 DBED CC(C)COC(=O)[C@H](C)NS(=O)(=O)N1CCO[C@H](C#N)C1 800097835 RYGCXZAITWERIN-WDEREUQCSA-N 319.383 -0.367 30 20 DBED C#CCCS(=O)(=O)NCCCN1CCC[C@@H](C(N)=O)C1 808288704 WYZDIXWHBBLGSC-GFCCVEGCSA-N 301.412 -0.484 30 20 DBED C#C[C@@H](NC(=O)C(=O)NCCN(C)C(=O)OC)[C@@H]1CCCO1 829215582 WRYRCANFCRTELO-MNOVXSKESA-N 311.338 -0.902 30 20 DBED N#C[C@H]1CN(S(=O)(=O)NC2(C(=O)O)CCCCC2)CCO1 841776807 PZRPHVJZUWGETK-JTQLQIEISA-N 317.367 -0.167 30 20 DBED C#C[C@H](NC(=O)N1CCN(S(=O)(=O)NC)CC1)C(C)C 854068264 IFMKCUVUFOPDLL-NSHDSACASA-N 302.400 -0.564 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@@]2(CC)CCNC2=O)CC1 864655485 CVSQIZZYJCCDDQ-INIZCTEOSA-N 322.409 -0.651 30 20 DBED C#CCNS(=O)(=O)N1CCN(CC2(SC)CC2)CC1 895922712 UKFDPGAYGVZLTG-UHFFFAOYSA-N 303.453 -0.033 30 20 DBED CN(C)CC#CCNC(=O)CC1CCN(S(C)(=O)=O)CC1 913524064 YFNUJUGXCBSCKK-UHFFFAOYSA-N 315.439 -0.271 30 20 DBED CN1CC[C@@H]1CNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 928569409 UUGNZPAGYZTPJI-SNVBAGLBSA-N 322.390 -0.455 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)c2cn(C)ccc2=O)C1 938357191 KBSZXDOLRYFUKV-QWRGUYRKSA-N 302.334 -0.124 30 20 DBED C=CCn1cccc1C(=O)N1CC[C@H](N(C)C(=O)C(N)=O)C1 938715085 HNQHDKXHUGYHRU-NSHDSACASA-N 304.350 -0.168 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](NC(=O)c2ccc(=O)n(C)n2)C1 938872839 MDCLKOORMIFWRS-ZJUUUORDSA-N 303.322 -0.729 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H]1CNC(=O)c1nnc(O)nc1O 944248060 CMCKNXADOIKFEJ-HTQZYQBOSA-N 320.309 -0.837 30 20 DBED Cn1ncc(C(=O)N2CCC3(CC2)CN(CC#N)CCO3)n1 949492468 CZUJMYWQHQEBNL-UHFFFAOYSA-N 304.354 -0.354 30 20 DBED C=CCn1cc(C(=O)N2CC(N(C)C(=O)c3cc[nH]n3)C2)nn1 953781280 KACCONCDYOXQMU-UHFFFAOYSA-N 315.337 -0.216 30 20 DBED C[C@@]1(NC(=O)c2ccc(C#N)[nH]2)CCN(C(=O)CC(N)=O)C1 956833900 GKTWBRVNTHZSAI-CQSZACIVSA-N 303.322 -0.517 30 20 DBED COCCn1cc(C(=O)NC[C@H]2CN(CC#N)C[C@H]2O)c(C)n1 958064707 VXGIEAHPEJLMHX-GXTWGEPZSA-N 321.381 -0.616 30 20 DBED C#CCCN1C[C@@H](O)[C@@H](CNC(=O)c2cc(CN(C)C)on2)C1 958200060 OGXDQHMCVGTSBH-SWLSCSKDSA-N 320.393 -0.218 30 20 DBED C#CCCN1C[C@@H](O)[C@H](CNC(=O)c2ccoc2CC(N)=O)C1 958348978 CHYKARDYDVZMOE-DGCLKSJQSA-N 319.361 -0.647 30 20 DBED Cn1nnc2ccc(C(=O)NC[C@H]3CN(CC#N)C[C@@H]3O)cc21 958625317 JDDBSHRFUMXAFL-FZMZJTMJSA-N 314.349 -0.486 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2cccnc2N(C)C)C1 958676253 DJURPMRVQXRNDB-TZMCWYRMSA-N 302.378 -0.197 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1[C@H]2CN(Cc3nc(O)n[nH]3)C[C@H]12 961812048 DIQUATABRJIOOS-RCWTZXSCSA-N 319.365 -0.352 30 20 DBED CCc1ocnc1C(=O)N[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1O 961983143 PYSYSEIZQNSEMB-BBBLOLIVSA-N 306.322 -0.302 30 20 DBED Cc1nnc2n1C[C@H](C(=O)NC1[C@H]3CN(CC#N)C[C@H]13)CC2 962722066 QBHUTSSSYDGGEI-WOPDTQHZSA-N 300.366 -0.281 30 20 DBED C=CCn1cc(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CCOC3)C2)nn1 973082738 BFHANJWYVJADDB-IJLUTSLNSA-N 319.365 -0.122 30 20 DBED CNC(=O)[C@H](C)N1C[C@@H]2C(CNC(=O)c3cc(C#N)c[nH]3)[C@H]2C1 977974527 ITSUDURWSVYCSF-ZWKOPEQDSA-N 315.377 -0.072 30 20 DBED CN(C(=O)Cn1cnnn1)[C@@H]1CCCN(C(=O)C#CC2CC2)C1 984174268 IIPZDKDLNSKXFQ-CYBMUJFWSA-N 316.365 -0.464 30 20 DBED C[C@@H](C(=O)N[C@H]1CCCN(C(=O)[C@H](C)C#N)C1)N1CCOCC1 989266782 CHJRNVQERQMMLK-RDBSUJKOSA-N 322.409 -0.026 30 20 DBED Cn1nnnc1CN[C@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1 998849502 OIDQQVGLFSAZHO-NSHDSACASA-N 314.353 -0.196 30 20 DBED N#CCN1CC[C@H](n2cc(CNC(=O)c3csnn3)nn2)C1 1000003167 VYMGASAVJYNWEV-JTQLQIEISA-N 318.366 -0.170 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)c2ccnn2C)C1 1000006636 YHSNADVDHGPETL-YPMHNXCESA-N 304.350 -0.048 30 20 DBED Cn1c(C(=O)NCC2CN(C(=O)C#CC3CC3)C2)cnc1O 1003561473 PHSGDJUJKJRYGX-UHFFFAOYSA-N 302.334 -0.273 30 20 DBED CC#CCN1CCC(NC(=O)[C@H]2CCN(C)S2(=O)=O)CC1 1003774398 DXKBVLKIBVSMFW-CYBMUJFWSA-N 313.423 -0.376 30 20 DBED C[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1NC(=O)C(N)=O 1005209404 ZCRYAWLCJOYNDY-LDYMZIIASA-N 303.322 -0.662 30 20 DBED CN1CCOC[C@@H]1C(=O)NC1[C@H]2CN(C(=O)C#CC3CC3)C[C@H]12 1012980768 OASVQURMTJSUQY-MELADBBJSA-N 317.389 -0.697 30 20 DBED CC#CCN1CC[C@@H](NC(=O)[C@H]2CCc3nnnn3CC2)C1 1015730912 HMLKMBOXAHICFB-QWHCGFSZSA-N 302.382 -0.161 30 20 DBED C#CCCN1CCC2(CC1)C[C@@H]2NC(=O)Cn1c(O)nnc1O 1016947153 KPZAYYDDTMSXFW-NSHDSACASA-N 319.365 -0.317 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@H](NCc3nc(O)n[nH]3)C2)[nH]1 1018731295 UGWYNPOCMWWHAF-VIFPVBQESA-N 301.310 -0.286 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H]3OCCN(C(C)=O)[C@@H]3C2)nn1 1019881903 GGMSHVGDKOPYJW-ZIAGYGMSSA-N 319.365 -0.074 30 20 DBED C=C(C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ncn(C)n2)C1 1023593510 UFBIBZZLDWJOQR-GHMZBOCLSA-N 321.381 -0.281 30 20 DBED CN(CC#N)[C@@H]1CCCN(C(=O)C2CC3(C2)NC(=O)NC3=O)C1 1027613644 ZSQQFSNCKTVKTI-LOIXOFCESA-N 319.365 -0.579 30 20 DBED N#CCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(-n2cnnn2)cn1 1032539693 ZLJQYXSGZMYWBN-RYUDHWBXSA-N 310.321 -0.520 30 20 DBED C#CCCN1CC[C@@H](N(C)C(=O)[C@@H]2COCCN2C(C)=O)C1 1033677234 YRZYTKAQVBXNOU-CABCVRRESA-N 307.394 -0.210 30 20 DBED CN1CC[C@H](C(=O)N[C@H]2CCCCN(CC#N)C2)S1(=O)=O 1034441054 AADVXOQYTNOFPH-NWDGAFQWSA-N 314.411 -0.485 30 20 DBED CC(=O)Nc1cccnc1C(=O)NC[C@H]1CN(CC#N)CCO1 1035399466 RQWJGIDWYBENRP-LBPRGKRZSA-N 317.349 -0.006 30 20 DBED Cc1cnc2c(C(=O)NC[C@@H]3CN(CC#N)CCO3)cnn2c1 1035533291 FKHWRMSIZNBSHA-GFCCVEGCSA-N 314.349 -0.008 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2CN(C[C@@H](C)O)CCO2)nc1 1035584620 XGZVWIIAHMMTHM-TZMCWYRMSA-N 303.362 -0.126 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2[C@H]3C[C@H]2N(Cc2cnon2)C3)nn1 1037622559 ZDIGCJOGROPXSY-ZWKOPEQDSA-N 315.337 -0.150 30 20 DBED C#CCN1CC[C@H]1CNC(=O)c1ccc(OCC(N)=O)cc1 1038483794 GXZRGUINGYRSBY-ZDUSSCGKSA-N 301.346 -0.012 30 20 DBED Cc1nonc1C(=O)NC[C@]1(O)CCN(C(=O)[C@@H](C)C#N)C1 1040221270 RUUGIKDNIPAYHA-ISVAXAHUSA-N 307.310 -0.769 30 20 DBED Cc1nocc1C(=O)N1CC[C@](O)(CNC(=O)[C@@H](C)C#N)C1 1040760239 MURRQQYLDOAXAS-XPTSAGLGSA-N 306.322 -0.164 30 20 DBED Cn1cc(C(=O)N2CC[C@@]3(CCN(CC#N)C3)C2)ncc1=O 1041486686 NMFXEMYIIBIMKI-OAHLLOKOSA-N 301.350 -0.158 30 20 DBED COCCCC(=O)N1CC(O)(CNC(=O)CSCC#N)C1 1041568206 FOUBJFPDGXAVSZ-UHFFFAOYSA-N 315.395 -0.641 30 20 DBED C=CCN1CC[C@@]2(CCN(C(=O)[C@@H]3CCS(=O)(=O)N3)C2)C1 1041835478 GTTYHOWSENBLQG-GXTWGEPZSA-N 313.423 -0.212 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)CCc2cnc[nH]2)C1 1041973399 YRZZRRHQQYQYTH-UHFFFAOYSA-N 306.366 -0.002 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)[C@H](OC)C2CC2)C1 1042842511 KQNQMZXUXGACPQ-WCQYABFASA-N 324.377 -0.861 30 20 DBED C=CCCOCC(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042964600 KTPWEIZXYWECRX-UHFFFAOYSA-N 306.362 -0.318 30 20 DBED C#CCCCCCC(=O)N1CC(O)(CNC(=O)c2cnn[nH]2)C1 1043811799 BSJNYLPWMOYGSJ-UHFFFAOYSA-N 319.365 -0.309 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)c2cnc(O)n2C)C1 1044450895 BCRUPKUPFDFJMC-UHFFFAOYSA-N 308.338 -0.605 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)CC[C@@H]2CCOC2)C1 1045539884 ARCZOWFBRQJXBP-NWDGAFQWSA-N 309.366 -0.348 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)C2CCN(C)CC2)C1 1045551945 OVHRSXLNMONADJ-LLVKDONJSA-N 308.382 -0.823 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)C[C@H]2CCCOC2)C1 1045554989 MJWWYXLCWJTBQE-NWDGAFQWSA-N 309.366 -0.348 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)[C@H](C)c2cnn(C)c2)C1 1046929830 PNPQWYBHOBVVPD-WDEREUQCSA-N 319.365 -0.627 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCN2CC#C)C1 1047415183 LKMAREDKTYCCHF-JYJNAYRXSA-N 303.406 -0.389 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1049237510 LJGRYTRHKHEJAP-HCZIRCDUSA-N 320.389 -0.288 30 20 DBED N#CCN1CCOC[C@@H]1CNC(=O)c1cccc(C(N)=O)c1 1050987892 WWOHEYZRNYMQAF-ZDUSSCGKSA-N 302.334 -0.260 30 20 DBED C=CCCN1CCOC[C@@H]1CNC(=O)c1cn(C)c(=O)cn1 1051036032 ZLORGBNIVMLWPV-LBPRGKRZSA-N 306.366 -0.213 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)c1ccc(C(N)=O)cn1 1051267866 FPKRFUUTEZMKEG-LBPRGKRZSA-N 302.334 -0.756 30 20 DBED CNC(=O)NCC(=O)NC[C@H]1CN(C(=O)C#CC(C)C)C[C@H]1C 1052547561 HECUYDPGCFFGCX-OLZOCXBDSA-N 322.409 -0.215 30 20 DBED Cn1cc(C(=O)N[C@@H]2CCCN(CC#N)CC2)c(O)nc1=O 1052929914 PXLCJTFPFAQBMY-SNVBAGLBSA-N 305.338 -0.406 30 20 DBED CC#CCN1CCC[C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)CC1 1052945161 DKPORGSMMSMVKV-CHWSQXEVSA-N 313.423 -0.328 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)Cc3nonc3C)CO2)C1 1053971731 PFOXPUSRNLKZNB-LBPRGKRZSA-N 304.350 -0.097 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCN1CCC(NC(C)=O)CC1 1055594117 GIVWZRWHZJVPNH-INIZCTEOSA-N 320.437 -0.199 30 20 DBED N#Cc1cnc(N2CCN(C(=O)Cn3cnnn3)CC2)c(F)c1 1055723638 LMDMNBLEJWAGAX-UHFFFAOYSA-N 316.300 -0.572 30 20 DBED Cc1cc(C#N)nc(N2CCN(C(=O)[C@H]3COCCO3)CC2)n1 1055728154 WTVXFXUCKGMMCH-CYBMUJFWSA-N 317.349 -0.279 30 20 DBED N#Cc1ccc(C(=O)N2CCN(c3ccc4nnnn4n3)CC2)[nH]1 1055774090 MUWAOUXCPWGCKG-UHFFFAOYSA-N 323.320 -0.319 30 20 DBED Cn1cc(C(=O)NC2[C@@H]3CN(c4ncccc4C#N)C[C@@H]23)nn1 1056199284 VFJVGXXEVBFNMT-GHMZBOCLSA-N 309.333 -0.054 30 20 DBED N#Cc1cccnc1N1C[C@H]2C(NC(=O)Cn3nccn3)[C@@H]2C1 1056316104 QCLDJLMXTGSWAK-VXGBXAGGSA-N 309.333 -0.204 30 20 DBED CN1C[C@H](C(=O)N2CC[C@@H](Nc3ccc(C#N)nn3)C2)CC1=O 1056805119 IJOUQTAOZOHPIA-ZYHUDNBSSA-N 314.349 -0.161 30 20 DBED C#CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)/C=C\C1CC1 1057271341 KPCYYKMLHYLFCK-FWWRYZNZSA-N 308.378 -0.072 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)C[C@H]1COC(=O)C1 1057347661 LDEZLZILMCDFPG-CYBMUJFWSA-N 324.377 -0.464 30 20 DBED C#CCO[C@H](C)C(=O)NCCN(CCO)C(=O)c1n[nH]cc1C 1057530361 QQCFOXHUSPGQBZ-GFCCVEGCSA-N 322.365 -0.693 30 20 DBED O=C(NCCN(CCO)C(=O)C#CC1CC1)C1CCC(O)CC1 1057531680 UZFNNTSUNJDOIO-UHFFFAOYSA-N 322.405 -0.112 30 20 DBED N#Cc1cnccc1N1CCC[C@H](NC(=O)Cn2cnnn2)C1 1058118915 TURSMKBBEMOMNE-LBPRGKRZSA-N 312.337 -0.275 30 20 DBED CC#CCCCC(=O)N(CCO)CCNC(=O)c1cn(C)nn1 1058445987 KMKWKDRUDNKREN-UHFFFAOYSA-N 321.381 -0.441 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCN(CCO)C(=O)c1cccnn1 1058529864 YMJTXUHKFHONGT-OAHLLOKOSA-N 322.365 -0.646 30 20 DBED N#Cc1ccc(N[C@H]2CCN(C(=O)Cn3cnnc3O)C2)nn1 1058854465 DGQUIVBGVZPCFY-JTQLQIEISA-N 314.309 -0.642 30 20 DBED C=C[C@H](CC)CC(=O)NCCN(CCO)C(=O)Cn1cncn1 1058885303 KPBXUNCTSLGDIP-CYBMUJFWSA-N 323.397 -0.183 30 20 DBED N#Cc1ccc(N[C@H]2CCN(C(=O)C[C@@H]3CCNC3=O)C2)nn1 1058982968 MRNKLFVRYSPXEL-JQWIXIFHSA-N 314.349 -0.113 30 20 DBED N#Cc1nc(=N[C@H]2C[C@H](NC(=O)c3csnn3)C2)cc[nH]1 1059359155 WNQBSYNTIPJPAE-ZKCHVHJHSA-N 301.335 -0.005 30 20 DBED N#Cc1nc(=NC[C@H]2CCN(C(=O)c3nccnc3N)C2)cc[nH]1 1060831850 LGZVPHCQMHKUOM-SNVBAGLBSA-N 324.348 -0.283 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@H]1COCCN1C(=O)c1cnco1 1061537904 FZZPENLHUGXWPP-XHDPSFHLSA-N 323.349 -0.041 30 20 DBED C=CCOCC(=O)N1CCOC[C@H]1CNC(=O)c1ccn(C)n1 1061595825 PLBYFCYHILDMBD-GFCCVEGCSA-N 322.365 -0.420 30 20 DBED CS(=O)(=O)CC(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(C#N)cn1 1062447629 JOCAGZMCRDENQY-QWRGUYRKSA-N 321.362 -0.818 30 20 DBED C#CCO[C@@H](C)C(=O)NC1(CNC(=O)[C@@H]2COCCO2)CCC1 1062594520 ZOULVIVLZKLMTO-STQMWFEESA-N 324.377 -0.405 30 20 DBED C=CCCOCC(=O)NCC1(NC(=O)[C@H]2CNC(=O)N2)CCC1 1063422424 IDGVNSRIHZZPON-LLVKDONJSA-N 324.381 -0.584 30 20 DBED C=CCO[C@H](C)C(=O)NCC1(NC(=O)Cn2ncnn2)CCC1 1063424408 RJIQEEKRBXLUFX-LLVKDONJSA-N 322.369 -0.581 30 20 DBED N#Cc1cncc(N2CC[C@@H]3CN(C(=O)CC(N)=O)CC[C@H]32)n1 1063998354 BCXQESXEXWRXQW-ZYHUDNBSSA-N 314.349 -0.349 30 20 DBED Cn1nncc1C(=O)N[C@H]1[C@H]2C[C@H]1N(c1cnc(C#N)cn1)C2 1064251089 QWBIVBGHNDXFCA-PLMOITTCSA-N 310.321 -0.516 30 20 DBED CC(=O)NCC(=O)N1CCO[C@@H](CNC(=O)C#CC(C)C)C1 1064775820 RYXWQGARXNJYHK-ZDUSSCGKSA-N 309.366 -0.875 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)CCc2cn[nH]c2)C1 1065557494 ROUGTFGIIUEEAL-YPMHNXCESA-N 319.365 -0.154 30 20 DBED CCN(C)CCC(=O)NC[C@@H]1CN(C(=O)[C@H](C)C#N)CCO1 1065557507 RSIJMLBXGDSRCC-CHWSQXEVSA-N 310.398 -0.169 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H]1CN(C(=O)c2nc[nH]n2)CCO1 1066637385 FAHVWZNQTUILFA-LLVKDONJSA-N 313.321 -0.554 30 20 DBED C[C@@H](CC(=O)N(C)CCCN(C)C(=O)[C@H](C)C#N)NC(N)=O 1067434533 QCWDEXIYFVIELF-MNOVXSKESA-N 311.386 -0.100 30 20 DBED N#Cc1cccnc1N1C[C@@H](O)[C@H](CNC(=O)c2ccnnc2)C1 1067694101 UMPXIXJLAWCTTA-ZIAGYGMSSA-N 324.344 -0.030 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCOC2(C1)CN(C(=O)COC)C2 1068388348 ANPKXJKULMSXAA-CQSZACIVSA-N 312.366 -0.600 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2nccc(C)n2)C1 1069916260 NSAVXRQPICEKIO-OLZOCXBDSA-N 311.349 -0.335 30 20 DBED C[C@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@]2(CCN(CC#N)C2)O1 1071204441 OZSDQWLONNOUIJ-SMDDNHRTSA-N 306.366 -0.533 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1C 1071875605 WTPBWSZFNWTFEY-TVQRCGJNSA-N 317.349 -0.401 30 20 DBED C=C(C)CN1CCC2(C1)CN(C(=O)Cn1cnc(C(N)=O)n1)C2 1072752395 ILHGCMUQAHYHLB-UHFFFAOYSA-N 318.381 -0.513 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CCN(C(=O)COCC)C[C@@H]1C 1073890423 IMXMCLSUVUDVOC-STQMWFEESA-N 323.393 -0.484 30 20 DBED Cn1oc(C(=O)N2CC[C@H]3OCCN(CC#N)[C@H]3C2)cc1=O 1074226010 JMVKEFKPYUFVQI-WDEREUQCSA-N 306.322 -0.583 30 20 DBED C=C(C)C[C@@H](C)C(=O)N1CCC(O)(CNC(=O)C(N)=O)CC1 1074683619 MMUIQLRZOZXYMK-LLVKDONJSA-N 311.382 -0.456 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CCN(C(=O)C(F)F)[C@H](C)C1 1074942369 WKLKUOHODJQCPZ-ZJUUUORDSA-N 315.320 -0.113 30 20 DBED C#CCOCCC(=O)N[C@@H](C)CCNC(=O)[C@H]1CCC(=O)N1 1075929656 CJXSMKHVICDTRP-NWDGAFQWSA-N 309.366 -0.684 30 20 DBED COCC(=O)NCCC(=O)NCC[C@H](C)NC(=O)[C@@H](C)C#N 1076894121 URVDMTVCABIAEQ-QWRGUYRKSA-N 312.370 -0.690 30 20 DBED C#CCOCCC(=O)N(CC)C1CN(C(=O)[C@@H]2COCCO2)C1 1079772318 OTNNKCHPRQUXEI-AWEZNQCLSA-N 324.377 -0.499 30 20 DBED C#CCOCCC(=O)NC[C@H]1CN(C(=O)c2ccon2)C[C@@H]1O 1081488024 CENQGLGNTNNSKX-AAEUAGOBSA-N 321.333 -0.736 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)Cc2cnn3c2CCCC3)C1 1083541306 YZMUXXNHOXEGAI-OCCSQVGLSA-N 303.366 -0.553 30 20 DBED CNC(=O)CN1CC[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)[C@@H]2C1 1084259969 CKEFDUDDRIBSPB-DGCLKSJQSA-N 301.350 -0.221 30 20 DBED N#Cc1c[nH]c(C(=O)N2C[C@H]3CCN([C@@H]4CCNC4=O)C[C@H]32)c1 1084261339 FRMAEZDFXCBCJG-MRVWCRGKSA-N 313.361 -0.079 30 20 DBED N#CCN1CC[C@@H]2CN(C(=O)c3nccnc3C(N)=O)[C@@H]2C1 1084820452 YFVHIYIRCJVZMF-NXEZZACHSA-N 300.322 -0.755 30 20 DBED C#CCN[C@H]1C[C@@H](CNC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1 1086196508 NZLWOSSIGYPZKL-RQJABVFESA-N 307.394 -0.260 30 20 DBED Cn1nnc(C(=O)N[C@@H]2[C@H]3CCCN(CC#N)[C@@H]3C2(C)C)n1 1087299315 SYRCSHUAYKCMGX-MXWKQRLJSA-N 303.370 -0.048 30 20 DBED C=C(Cl)CN1CC[C@@H](NC(=O)c2nccnc2N)[C@@H](O)C1 1090145417 QRWCESJCWYVICA-ZJUUUORDSA-N 311.773 -0.024 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2cc3c(cn2)OCCO3)[C@@H](O)C1 1090330078 QTWJFDZZCWOALB-YPMHNXCESA-N 317.345 -0.349 30 20 DBED C=CCN1CC[C@@H](NC(=O)c2nc3ncc(C)cn3n2)[C@@H](O)C1 1090348785 FTENEZUUPNSBPZ-NEPJUHHUSA-N 316.365 -0.216 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2cc(C(N)=O)cn2C)[C@H](O)C1 1090398901 JEQWTCZGRQWQIX-GXTWGEPZSA-N 318.377 -0.688 30 20 DBED C=C(C)CCN1CC[C@H](NC(=O)c2cn(C)c(=O)n2C)[C@@H](O)C1 1090832563 DXVHNBDTYJOPPV-JSGCOSHPSA-N 322.409 -0.145 30 20 DBED C[C@@H](CC(=O)N1CCN(c2cnc(C#N)cn2)CC1)NC(N)=O 1093177550 BXPKITPQJSMSAZ-JTQLQIEISA-N 317.353 -0.556 30 20 DBED CC(=O)NCC(=O)NC1[C@@H]2CN(c3nccnc3C#N)C[C@@H]12 1093215326 LLYGGWUNJHIIFO-NXEZZACHSA-N 300.322 -0.965 30 20 DBED N#Cc1cnc(NCCNC(=O)C[C@@H]2CCCC(=O)N2)cn1 1094258445 NHMVTKZZBMBXSD-JTQLQIEISA-N 302.338 -0.065 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)[C@@H]3CCC(=O)N3C)CC2=O)C1 1094771595 LBOCLXQFSPTZJK-YPMHNXCESA-N 320.393 -0.806 30 20 DBED CN(CCCNC(=O)Cn1cnnc1O)c1nccnc1C#N 1095541320 RMXMXBOHJYTSMZ-UHFFFAOYSA-N 316.325 -0.712 30 20 DBED CC(=O)NCC(=O)NC[C@H](Nc1nccnc1C#N)C1CC1 1096559241 IEIMPRCVOXZSOK-LBPRGKRZSA-N 302.338 -0.209 30 20 DBED N#Cc1cnc(N[C@H](CNC(=O)[C@H]2COC(=O)N2)C2CC2)cn1 1096659829 LNGCBDZGQMPNFD-GHMZBOCLSA-N 316.321 -0.237 30 20 DBED CNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1ccc(C#N)[nH]1 1096968285 HJODDNFEGQPLNX-RTXFEEFZSA-N 301.350 -0.033 30 20 DBED N#Cc1ccc(N2CCC[C@H](CNC(=O)CNC(N)=O)C2)cn1 1097285735 CEXRJNSOAJFNDA-LLVKDONJSA-N 316.365 -0.046 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCS(=O)(=O)N1)Nc1ncccc1C#N 1097875616 VVDGQHCDKLUYNP-GXSJLCMTSA-N 323.378 -0.438 30 20 DBED C[C@H](CNC(=O)C1CS(=O)(=O)C1)N=c1cc[nH]cc1C#N 1098071322 TXISIAGHKPZVMU-SECBINFHSA-N 308.363 -0.664 30 20 DBED C=CCCN(CCO)C1CCN(C(=O)c2nnn(C)n2)CC1 1098454835 VDJYAXBNHOJYEB-UHFFFAOYSA-N 308.386 -0.315 30 20 DBED CN1CCOC[C@H]1C(=O)N1C[C@@H](NCC#N)[C@H](C(F)(F)F)C1 1099240173 HWSMERMGHMETFS-MXWKQRLJSA-N 320.315 -0.181 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2cc[n+]([O-])cc2)[C@H](O)C1 1099639589 MCCDMUMZXOUDMF-LSDHHAIUSA-N 319.361 -0.865 30 20 DBED Cc1nnc(CN2CC[C@H](NC(=O)C#CC3CC3)[C@H](O)C2)o1 1099825802 AOEAGNQHASIOLM-QWHCGFSZSA-N 304.350 -0.157 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)CCN2C(=O)CCC2=O)[C@H](O)C1 1099908452 DMKXPLIZJNLXCY-CHWSQXEVSA-N 323.393 -0.347 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)[C@@H]2C[C@@H]3C[C@@H]3C2)[C@H](O)C1 1099952154 PCTCLOJTJNDAOQ-GZBLMMOJSA-N 321.421 -0.114 30 20 DBED Cc1cc(C#N)nc(N(C)CCNC(=O)c2nnn(C)c2C)n1 1099974399 DUGVUTNKNZBMRM-UHFFFAOYSA-N 314.353 -0.040 30 20 DBED CCCC(=O)NCC(=O)NCCN(C)c1cncc(C#N)n1 1099976549 LPICXFOXZYWLPV-UHFFFAOYSA-N 304.354 -0.183 30 20 DBED COC[C@]1(C(=O)NCCN(C)c2ccnc(C#N)n2)CCOC1 1100238930 YBTJOHUTTFYPCN-OAHLLOKOSA-N 319.365 -0.046 30 20 DBED COCC(=O)N[C@@H](C)C(=O)NCCN(C)c1ccnc(C#N)n1 1100378627 RRXPDYOIGQFBJJ-JTQLQIEISA-N 320.353 -0.948 30 20 DBED N#Cc1cnccc1N1CCC[C@@H]1CNC(=O)Cn1cnnn1 1100776813 RPRSSNNUQZIYHV-GFCCVEGCSA-N 312.337 -0.275 30 20 DBED CC(=O)NCC(=O)NC[C@H]1CCN(c2ccnc(C#N)n2)C1 1100925996 KTWPIYBQWJNCIR-LLVKDONJSA-N 302.338 -0.573 30 20 DBED N#Cc1ccc(N(CCNC(=O)Cn2ncnn2)C2CC2)nn1 1101391060 FNZYSWDEDRKMHM-UHFFFAOYSA-N 313.325 -0.880 30 20 DBED CC[C@@H](CNC(=O)CO[C@@H]1CCOC1)N=c1cc[nH]c(C#N)n1 1103196182 KNSDMFUUMRYGFB-NWDGAFQWSA-N 319.365 -0.118 30 20 DBED CC[C@@H](CNC(=O)CCc1cnn[nH]1)N=c1cc[nH]c(C#N)n1 1103316199 XUIMHQKWBALYRF-JTQLQIEISA-N 314.353 -0.172 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)Cc1ccnn1C 1103939782 TZPVWWJETVSQOV-LLVKDONJSA-N 313.365 -0.089 30 20 DBED Cc1cc(=NC[C@H](C)CNC(=O)Cn2ncnn2)c(C#N)c[nH]1 1104095528 XUGKGZYUMSTHBO-JTQLQIEISA-N 314.353 -0.466 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)[C@H]1CC(=O)N(C)C1 1104254995 TVTKGHXHBGTAKG-MNOVXSKESA-N 316.365 -0.587 30 20 DBED C#CCNCc1cn(C2CN(C(=O)c3nonc3C)C2)nn1 1105382215 BLSSPXHGEADKFU-UHFFFAOYSA-N 301.310 -0.611 30 20 DBED Cc1cc(C(=O)NC[C@@H](O)CN=c2cc[nH]c(C#N)n2)ccn1 1105928102 IOEKMUXIPZLWTJ-LBPRGKRZSA-N 312.333 -0.324 30 20 DBED Cc1cnn(C)c1C(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1 1106057886 IDMVBROBIWLQRA-JTQLQIEISA-N 315.337 -0.985 30 20 DBED C=C[C@@](C)(O)CC(=O)N1C[C@@H](C)[C@H](CNCc2nnnn2C)C1 1106059390 TWZIGAWFSHLAOS-LALPHHSUSA-N 322.413 -0.279 30 20 DBED N#Cc1nc(=NC[C@H](O)CNC(=O)CCc2cn[nH]c2)cc[nH]1 1106131562 DROBYRLOZCQJHB-NSHDSACASA-N 315.337 -0.985 30 20 DBED N#Cc1cncc(NC[C@@H](O)CNC(=O)[C@@]23COC[C@@H]2C3)n1 1106145107 HPBIYARSQLEABY-PXWWUCIGSA-N 303.322 -0.726 30 20 DBED C[C@@H](CCN=c1cc[nH]cc1C#N)NC(=O)[C@H]1CNC(=O)N1 1106542513 GJUIOFQRNTWGTN-JOYOIKCWSA-N 302.338 -0.637 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)c2ccncn2)C[C@H]1C 1106782379 UTHSXOMTYRLSPA-CHWSQXEVSA-N 315.377 -0.476 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)[C@H]1CC(=O)N(C)C1 1106977706 CTMGZKITSNZJNA-NSHDSACASA-N 316.365 -0.491 30 20 DBED N#Cc1c[nH]ccc1=NC/C=C\CNC(=O)CN1CCOCC1 1107133413 GNUPHJACVGHDDS-UPHRSURJSA-N 315.377 -0.208 30 20 DBED C[C@@]1(CNC(=O)c2cccn3nnnc23)CN(CC#N)CCO1 1107968244 BTJXUSNTSXDPAP-CQSZACIVSA-N 315.337 -0.531 30 20 DBED C#CCCN1CCO[C@@](C)(CNC(=O)[C@@H]2CC(=O)N(C)C2)C1 1107983565 OAMDEPRJNMDDGE-CJNGLKHVSA-N 307.394 -0.305 30 20 DBED Cn1cc(C(=O)NC[C@@]2(C)CN(CC#N)CCO2)n(C)c1=O 1108427122 UOROWHORBPQVBA-AWEZNQCLSA-N 307.354 -0.932 30 20 DBED C=C(C)CN1CC(N2C[C@@H](NC(=O)[C@@H](C)NC(C)=O)CC2=O)C1 1108500793 ZVUQGGMUUDVOLU-YPMHNXCESA-N 322.409 -0.512 30 20 DBED C[C@@H](CN(C)c1nccnc1C#N)NC(=O)CCNC(N)=O 1108961970 RZGXNTHTUBUQKH-VIFPVBQESA-N 305.342 -0.652 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H](NC(=O)[C@@H]1CCNC1=O)C1CC1 1109946003 NFEHZRLJYSQQLJ-OCCSQVGLSA-N 313.361 -0.182 30 20 DBED CN1CCO[C@@H](C(=O)NCC2(Nc3ccnc(C#N)n3)CC2)C1 1110090385 AHFKMMSVROJYNO-LLVKDONJSA-N 316.365 -0.260 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H]1CCCN1C 1110386252 KQFZKZCUXWBEFL-KBXIAJHMSA-N 318.421 -0.449 30 20 DBED CC[C@H](OC)C(=O)N(C)[C@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1111178906 KWPPHMRDQHOIPH-AVGNSLFASA-N 319.365 -0.219 30 20 DBED CO[C@@H](C)C(=O)N[C@@]1(CO)CCCN(c2cnc(C#N)cn2)C1 1111336468 QKWDGFOBLYDBPL-NHYWBVRUSA-N 319.365 -0.169 30 20 DBED CCC(=O)NCC(=O)N(CCO)CCNc1cnc(C#N)cn1 1111429253 CWURBAPKPWSCES-UHFFFAOYSA-N 320.353 -0.893 30 20 DBED C=CCNC[C@]12CCC[C@H]1CN(C(=O)C[C@@H]1NC(=O)NC1=O)C2 1112406416 SIBUPZWSGAKKCK-MKBNYLNASA-N 320.393 -0.011 30 20 DBED C=CCN1CC[C@@H](N2CCN(C(=O)CNC(=O)OC)CC2)C1=O 1112655321 MSTCRKGCCNVVOL-GFCCVEGCSA-N 324.381 -0.727 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)[C@@H](C)Nc1nccc(OC)n1 1112973075 FHYQEPNTBDOJCY-GHMZBOCLSA-N 319.365 -0.070 30 20 DBED C[C@H](Nc1cncc(C#N)n1)[C@@H](C)NC(=O)Cn1cncn1 1113030894 IEKFUZNRRUQAKI-VHSXEESVSA-N 300.326 -0.055 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)[C@@H]2CCO[C@H]2C=C)CC1 1113360857 IJOLMZVHXOPCKC-ZNMIVQPWSA-N 319.405 -0.140 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)Cc2cnc[nH]2)CC1 1113383609 HGXBWUPUAMVHAZ-LBPRGKRZSA-N 305.382 -0.213 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)CCSCC)[C@H]2C1 1113942359 MTRLCAYZPVSYSH-RYUDHWBXSA-N 309.435 -0.075 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)[C@@H](C)OCC(C)C)[C@@H]2C1 1113965445 NVUNMSHXCNQXET-MGPQQGTHSA-N 321.421 -0.157 30 20 DBED C=CCOCC(=O)NC1[C@@H]2CN([C@@H]3CCCN(C)C3=O)C[C@@H]12 1114047503 HATLAZVPTOUUJW-JHJVBQTASA-N 307.394 -0.144 30 20 DBED C[C@H](C#N)C(=O)NC1[C@@H]2CN(CC(=O)NC3CCOCC3)C[C@@H]12 1114064143 MWYQNDCYBTWHMG-RAIGVLPGSA-N 320.393 -0.512 30 20 DBED N#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3c[nH]c(C#N)c3)[C@H]2C1 1114163401 HALGZPLMTVMMAF-RYUDHWBXSA-N 312.333 -0.814 30 20 DBED C=CCCCN1C[C@H]2C(NC(=O)C[C@@H]3NC(=O)NC3=O)[C@@H]2C1 1114420512 HLUYRIBHHMJXAA-MXWKQRLJSA-N 306.366 -0.403 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)COCCC=C)[C@@H]2C1 1115324277 NSINPLGHAIIZHH-CHWSQXEVSA-N 305.378 -0.625 30 20 DBED N#CCNC1(CNC(=O)CN2CCOCC2=O)CCCCC1 1115574833 SJDGUAXVOMLGJL-UHFFFAOYSA-N 308.382 -0.223 30 20 DBED C=CC[C@@H]1NC(=O)N(C2CCN(S(C)(=O)=O)CC2)C1=O 1116771209 XDRJRFNJCBRCEJ-JTQLQIEISA-N 301.368 -0.093 30 20 DBED C#CCC[C@@H](O)CNC(=O)c1cn(Cc2noc(C)n2)nn1 1116902476 GGIVAOIVDXCHLE-SNVBAGLBSA-N 304.310 -0.478 30 20 DBED CSC[C@@](C)(C#N)NC(=O)Cn1[nH]cc2c(=O)ncnc1-2 1117520016 JHYZILBTQALNDT-GFCCVEGCSA-N 306.351 -0.167 30 20 DBED C[C@H](NC(=O)C(=O)N1CCN(CCC#N)CC1)[C@@H]1CCOC1 1119139657 VKFVCTSPPBMTNI-QWHCGFSZSA-N 308.382 -0.415 30 20 DBED CN1CCN(C)[C@H](CNC(=O)C(=O)N2CCC[C@@H](C#N)C2)C1 1119692946 RSYGTIONMNMJBV-QWHCGFSZSA-N 307.398 -0.889 30 20 DBED CN1CC[C@@H](C(=O)NC[C@H](CO)Nc2cncc(C#N)n2)C1 1121591524 QBTKTDSOINCTAG-ZYHUDNBSSA-N 304.354 -0.811 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H](CO)Nc1cc(COC)ncn1 1122037128 UGFVKZJWOSOPTC-AAEUAGOBSA-N 322.365 -0.450 30 20 DBED Cc1cc(=N[C@H](CO)CNC(=O)c2c[nH]nc2C)c(C#N)c[nH]1 1122293826 PAVYDBAQVOAPRQ-LBPRGKRZSA-N 314.349 -0.082 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)Cc2cnc[nH]2)nc1 1122624022 XBTIIDRGCOYLMT-GFCCVEGCSA-N 300.322 -0.192 30 20 DBED CCc1n[nH]cc1C(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1 1122829213 KMBNVVXAMIBNJH-VIFPVBQESA-N 315.337 -0.742 30 20 DBED C#CCNC(=O)CC(=O)NCCN[C@H](C)C(=O)NC(C)(C)CC 1125998355 PCVGLZLBJWLVBI-GFCCVEGCSA-N 324.425 -0.475 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1ncnc2sccc12 1127680583 WUXCTAIWNAFYDK-UHFFFAOYSA-N 318.362 -0.350 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@H]1CCN(CC(C)C)C1 1129328392 PDIGAKAPTYFOJY-GJZGRUSLSA-N 322.453 -0.192 30 20 DBED CC#CCN1CC[C@@]2(C1)CN(C(=O)CCNC(N)=O)C[C@H](C)O2 1131698240 XIBIEHBPGKRJIR-XJKSGUPXSA-N 322.409 -0.240 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@H](C1CC1)N1CCCC1 1131790238 JHMRZGUFPIWOGI-ZFWWWQNUSA-N 320.437 -0.296 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)CN(C)CC(C)(C)C 1133908437 QWFDJFMTHRFXON-CYBMUJFWSA-N 310.442 -0.192 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)C1=CCOCC1 1134163502 BMJKYUBUWOPVSM-CHWSQXEVSA-N 307.394 -0.045 30 20 DBED Cc1cc(C(=O)N[C@H](C)C[C@H](C)NCC(=O)NCC#N)cnn1 1134206380 TUHJFEXQLWRCAZ-WDEREUQCSA-N 318.381 -0.089 30 20 DBED C#CCNC(=O)CNCCNC(=O)Cc1c(C)noc1Cl 1135280426 AYIVTQVMNQTIQD-UHFFFAOYSA-N 312.757 -0.366 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1cnn2ccccc12 1135450674 YDCKGWXIGBJJSG-UHFFFAOYSA-N 301.350 -0.044 30 20 DBED COCC#CCN1CCC2(C1)CN(C(=O)c1ncn(C)n1)C2 1147475732 KJXUYLPLOYODLU-UHFFFAOYSA-N 303.366 -0.387 30 20 DBED C#CCOCCC(=O)N1CC2(CCN(CC(=O)NCC#N)C2)C1 1147531017 VIXSIOOWIIEJSH-UHFFFAOYSA-N 318.377 -0.800 30 20 DBED C=C(C)CN(CC)C(=O)[C@@H](C)NCCNC(=O)[C@@H]1CCC(=O)N1 1148433989 ZKOYSLKHGISPQS-OLZOCXBDSA-N 324.425 -0.216 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)Cc1c(C)noc1C 1150812660 RSVAZRTZRNQSHS-LLVKDONJSA-N 306.366 -0.322 30 20 DBED C#CCCN1CCCO[C@@H](CNC(=O)[C@H](C)N2CCOCC2)C1 1150841547 JUPUDVZXELTCAZ-HOTGVXAUSA-N 323.437 -0.063 30 20 DBED C#CCNC(=O)CC(=O)NC1(CCOC)CCN(CC#C)CC1 1151074838 HYMSWENXKFWBAE-UHFFFAOYSA-N 319.405 -0.254 30 20 DBED COCC#CCNCCNC(=O)c1cccc2nnn(C)c12 1153901067 UNYCOMZHZOEGBG-UHFFFAOYSA-N 301.350 -0.063 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@@H]1CCCN(C(C)=O)C1 1162054345 OUBIHMFDVKBSGY-CQSZACIVSA-N 322.409 -0.910 30 20 DBED CC(C)CC(=O)N1CC[C@@H]2OCCN(CC(=O)NCC#N)[C@@H]2C1 1176886864 GDFZYXJOWRGRHD-KGLIPLIRSA-N 322.409 -0.026 30 20 DBED C[C@H](N[C@@H]1CCN(C(=O)C#CC(C)(C)C)C1)C(=O)NC(N)=O 1182442137 OSBCXVYMGRYKKF-WDEREUQCSA-N 308.382 -0.190 30 20 DBED C#CCNC[C@]1(C)CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1C 1182598949 OITOSHUHFYYNQW-OQMKEHIESA-N 307.394 -0.273 30 20 DBED C#CCCN[C@H]1CCCO[C@H]1C1CCN(C(=O)C(N)=O)CC1 1186134429 BXGFZIFRSJFNFG-KBPBESRZSA-N 307.394 -0.129 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H]2CN(CCOCC)C[C@H]21 1187598620 WHJHFBTVXQNQRW-UONOGXRCSA-N 307.394 -0.305 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2cc(CC)n(C)n2)C1 1188430321 KNVPVMTUFFNFAJ-GFCCVEGCSA-N 317.393 -0.464 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@@H]1CCN(C(=O)c2cn(C)nn2)C1 1189962561 FMQDJUJCYIKSJB-VXGBXAGGSA-N 318.381 -0.901 30 20 DBED COCC#CCN(C)[C@@H]1CCN(C(=O)[C@H]2CCN(C)C2=O)C1 1191849055 KAKIAKLSPRVQPZ-KGLIPLIRSA-N 307.394 -0.353 30 20 DBED C=CCOCCCC(=O)N[C@@H]1CN(Cc2cnon2)C[C@H]1O 1192054689 YPKZGEUCVJJNEJ-CHWSQXEVSA-N 310.354 -0.286 30 20 DBED CC(C)[C@H](NS(C)(=O)=O)C(=O)N1CC[C@H](N(C)CC#N)C1 1192735805 NWEGVZZVHLUGPC-RYUDHWBXSA-N 316.427 -0.384 30 20 DBED CCC(CC)[C@@H](C)C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1O 1194308663 MNNWAIXJPHMZEK-MRVWCRGKSA-N 324.425 -0.140 30 20 DBED C#CCN(C)[C@H]1CCN(C(=O)CCNC(=O)[C@@H]2CCCO2)C1 1194494312 REFCPDPYDAFOKV-KBPBESRZSA-N 307.394 -0.162 30 20 DBED N#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC23CCCC3)C1 1197492979 CFOXPDVPRQBUPF-JHJVBQTASA-N 320.393 -0.632 30 20 DBED N#CCNC(=O)CNC1CCN(C(=O)c2cnns2)CC1 1199490716 ITUZARQPKZZSRK-UHFFFAOYSA-N 308.367 -0.628 30 20 DBED C#CCNC[C@@H]1CN(C(=O)[C@@]2(COC)CCOC2)CCCO1 1201090414 YNXYCYZNSAISEV-GDBMZVCRSA-N 310.394 -0.120 30 20 DBED C=CCO[C@H](C)C(=O)N1CCCO[C@H](CNCC(=O)NC)C1 1202200348 LGKCRRQPPZUPEI-CHWSQXEVSA-N 313.398 -0.469 30 20 DBED C=CCNC(=O)CNCC1CCN(C(=O)CN(C)C(C)=O)CC1 1204573199 JVEYNFBHEQSQNI-UHFFFAOYSA-N 324.425 -0.405 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(CCS(C)(=O)=O)C[C@H]1C 1206915560 CWEJNADNHJUJOT-BZPMIXESSA-N 318.439 -0.205 30 20 DBED C#CCCN[C@@H]1CCCN(C(=O)[C@@H]2COCCN2C(C)=O)C1 1211160789 QWXCWAZFXNCHAQ-CABCVRRESA-N 307.394 -0.162 30 20 DBED C#CCN1C[C@@H](NC(=O)CCS(=O)(=O)N(C)C)[C@H](C)C1 1211241316 KFSKQYREKXVTLX-VXGBXAGGSA-N 301.412 -0.662 30 20 DBED COCC#CCN1C[C@@H](NC(=O)c2n[nH]cc2C)[C@H](OC)C1 1212228563 ONGYIDOHXSZLOM-CHWSQXEVSA-N 306.366 -0.203 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)c2ccncc2)C[C@H]1C 1214042871 DEEGFIKZPYFTCF-TZMCWYRMSA-N 300.362 -0.119 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)c2cn(C)c(O)n2)C[C@H]1C 1215465413 NCEZTCZHQGHNSD-GHMZBOCLSA-N 321.381 -0.522 30 20 DBED C=C[C@H](CC)CC(=O)N[C@@H]1CN(Cc2nc(O)n[nH]2)C[C@@H]1O 1220205772 LUAMJZSXYBYSFC-MXWKQRLJSA-N 309.370 -0.226 30 20 DBED COCC#CCN1CC[C@@H]2CN(C(=O)[C@@H]3CCNC(=O)C3)[C@@H]2C1 1221477074 JZRAERQUEDUXNL-RBSFLKMASA-N 319.405 -0.305 30 20 DBED C=C(C)CN(CC)C(=O)CN1CC[C@@H]2CN(C(=O)C(N)=O)[C@@H]2C1 1221786501 ZVTQINYFIVDWBH-CHWSQXEVSA-N 322.409 -0.571 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)N1C[C@H]2CCN(CCO)C[C@H]21 1221852189 VIJUKQIHVUZHBY-RBSFLKMASA-N 309.410 -0.018 30 20 DBED COCC#CCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CN(C)CCO1 1231369518 USBQOXWMTOAPDX-CABCVRRESA-N 309.410 -0.501 30 20 DBED C#CCCCNC(=O)C(=O)N[C@H]1CCC[C@@H](S(C)(=O)=O)C1 1261095674 SDJXSSFHJUIRRC-NWDGAFQWSA-N 314.407 -0.012 30 20 DBED N#CCNC(=O)CNC(=O)N1CCC(N2CCCC2=O)CC1 1261100650 WVBFLHBWOJDTBG-UHFFFAOYSA-N 307.354 -0.577 30 20 DBED COC(=O)c1cccc(NC(=O)C(=O)N2CCO[C@H](C#N)C2)n1 1261511301 BCQYPCDZQQGFJH-SECBINFHSA-N 318.289 -0.442 30 20 DBED COC[C@@](C)(C#N)NC(=O)Cc1c(C)[nH]c2ccnn2c1=O 1319335523 JBFZUEVHNYDNEQ-CQSZACIVSA-N 303.322 -0.082 30 20 DBED C#CCOCCN(C)[C@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 1319772717 CLYQPQNFRZLHCT-OLZOCXBDSA-N 316.423 -0.398 30 20 DBED N#CCCNC(=O)C(=O)Nc1cccnc1N1CCOCC1 1320921874 FMGUOKMZGMPFFJ-UHFFFAOYSA-N 303.322 -0.113 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)NC[C@@H](C)CN1CCOCC1 1323782888 WCBZIABONGHCNY-CHWSQXEVSA-N 313.398 -0.612 30 20 DBED CCN(C[C@H](C)C#N)C(=O)COC(=O)CC[C@@H]1NC(=O)NC1=O 1323929798 DVZBBAWDLUACNL-ZJUUUORDSA-N 324.337 -0.474 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)N[C@@H]2CCC[C@H]2CCO)C1 1326109623 AOZLFFBCEUEWAS-ZOWXZIJZSA-N 309.366 -0.469 30 20 DBED Cc1cnc(CCNC(=O)C(=O)N2CC[C@](O)(CC#N)C2)cn1 1326129972 WKHXQOYZBOPCOJ-OAHLLOKOSA-N 317.349 -0.679 30 20 DBED C=CCn1cc(CNC(=O)NC[C@@H](CO)[C@@H]2CCOC2)nn1 1326679241 HWFWBANVIBQACG-NEPJUHHUSA-N 309.370 -0.092 30 20 DBED C#CCNC(=O)C1CCN(C(=O)C2(n3cnnn3)CC2)CC1 1328233293 ZMDKBYJCUCWMOA-UHFFFAOYSA-N 302.338 -0.850 30 20 DBED C[C@@H](CO)C1CCN(C(=O)C(=O)N2CCO[C@H](C#N)C2)CC1 1328745254 QAONNIIAZHBKDT-WCQYABFASA-N 309.366 -0.396 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCc3c[nH]nc3C2)CCO1 1328867688 YDKZMHFADJGNRB-GHMZBOCLSA-N 303.322 -0.866 30 20 DBED C=CCn1c(COCCOC)nnc1N1CCCNC(=O)C1 1330793170 BDTVXLKUKNLPSK-UHFFFAOYSA-N 309.370 -0.047 30 20 DBED C=CCN(CCOC)C(=O)c1cn(C[C@@H]2CNC(=O)O2)nn1 1337635745 HOEXZZKPTQYQGX-JTQLQIEISA-N 309.326 -0.339 30 20 DBED C[C@@]1(C#N)CCCN(C(=O)C(=O)NCCN2C(=O)CCC2=O)C1 1342152360 YHUBNYWMUNDWPI-HNNXBMFYSA-N 320.349 -0.596 30 20 DBED N#C[C@]1(F)CCN(C(=O)C(=O)NCCOC[C@H]2CCCO2)C1 1345495629 XXHIASLLGDGANG-BXUZGUMPSA-N 313.329 -0.238 30 20 DBED N#Cc1cn(CCC(=O)N[C@H](CO)C2CCCC2)c(=O)nc1O 1362979755 NXSMPPTYQCZNLC-GFCCVEGCSA-N 320.349 -0.122 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)CS[C@H]2CCS(=O)(=O)C2)C1 1363120582 DFGYNLZKGXYSNR-CMPLNLGQSA-N 318.420 -0.216 30 20 DBED COCCN(CCC#N)S(=O)(=O)N(C)Cc1cn[nH]c1 1364919580 ALTNTYOAMIVEEN-UHFFFAOYSA-N 301.372 -0.052 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N1CC[C@H](C(=O)N(C)C)C1 1365418785 OLPMVPQTZVLVMC-QWRGUYRKSA-N 302.400 -0.267 30 20 DBED C=C(Cl)CN1CC(O)(CNC(=O)[C@H]2CCS(=O)(=O)C2)C1 1393318517 AYWDRFGOKWDFIY-JTQLQIEISA-N 322.814 -0.664 30 20 DBED C[C@@H](CNC(=O)Cn1cnnn1)N(C)C(=O)c1cc(C#N)c[nH]1 1404307810 XLBGEIINDBISKM-VIFPVBQESA-N 316.325 -0.850 30 20 DBED CC[C@@H](CNC(=O)c1ccc(=O)n(C)n1)NC(=O)[C@@H](C)C#N 1409377798 DIZIAQSYHOYTDO-UWVGGRQHSA-N 305.338 -0.435 30 20 DBED N#Cc1cn(CC(=O)Nc2nccn2C2CC2)c(=O)nc1O 1412222728 BWISSYIXDBDKCG-UHFFFAOYSA-N 300.278 -0.009 30 20 DBED Cn1cnnc1C1CCN(C(=O)Cn2cnc(C#N)n2)CC1 1412414393 ACEDGWNLULBNIE-UHFFFAOYSA-N 300.326 -0.316 30 20 DBED N#Cc1cc(C(=O)N2CC[C@H](NC(=O)CCCC(N)=O)C2)c[nH]1 1414926792 MZZZZERRRBOCBZ-NSHDSACASA-N 317.349 -0.127 30 20 DBED C[C@H](CNC(=O)c1cc(C#N)c[nH]1)N(C)C(=O)[C@H]1COC(=O)N1 1424099321 LAGHCVLBRYJISS-LDYMZIIASA-N 319.321 -0.429 30 20 DBED COCCn1cc(C(=O)NCCN(C)C(=O)[C@@H](C)C#N)cn1 1429427057 PAPLMDVTXBGXBW-NSHDSACASA-N 307.354 -0.123 30 20 DBED C[C@@H](C#N)C(=O)N1CC(CNC(=O)[C@H](C)S(C)(=O)=O)C1 1430406712 XAEKOVHNBBAACQ-IUCAKERBSA-N 301.368 -0.846 30 20 DBED CCN1CCO[C@@H](C(=O)NCCN(C(=O)[C@H](C)C#N)C2CC2)C1 1431885988 LUBALVXAWHCYSR-TZMCWYRMSA-N 322.409 -0.026 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](NC(=O)Cn1ncnn1)C1CCCC1 1434133714 NSSSPWAXQHHZNP-ZYHUDNBSSA-N 319.369 -0.376 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(CCNC(=O)c2ccon2)CC1 1446900515 CQGDMGCLPJRGBW-NSHDSACASA-N 305.338 -0.292 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@](C)(NC(=O)c1ncn(C)n1)C1CC1 1451256565 HPCVPJNAULWJPS-LKFCYVNXSA-N 304.354 -0.011 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]2COC(=O)N2)CC1 1451362092 UOIPPWNHJYKZHH-NAKRPEOUSA-N 308.338 -0.202 30 20 DBED Cc1cc(OCC(=O)NC[C@@H](O)CNC(=O)[C@H](C)C#N)no1 1452371877 KGQHOFVXFQHDRF-PSASIEDQSA-N 310.310 -0.885 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CCN(c2nccnc2-c2nn[nH]n2)C1 1573577881 UTNMXPSHKAPEIA-RKDXNWHRSA-N 313.325 -0.489 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@@H](C)NC(=O)CCCc1cnn[nH]1 1575005068 UBBQMHOQPGMBEB-NEPJUHHUSA-N 320.397 -0.640 30 20 DBED C#CCN(CC(=O)O)C(=O)C(=O)Nc1cnc(OC)c(OC)c1 1588397502 KGRGZTYRVNLERR-UHFFFAOYSA-N 321.289 -0.416 30 20 DBED N#CC[C@@H](O)CN1CCN(c2cnccc2-c2nn[nH]n2)CC1 1592682121 ORDBPEBWCJSHGK-LLVKDONJSA-N 314.353 -0.342 30 20 DBED C#C[C@@H]1COCCN1S(=O)(=O)c1cccc(-c2nn[nH]n2)c1 1602696291 HMJOLORAZAFRBS-LLVKDONJSA-N 319.346 -0.111 30 20 DBED C#CCNC[C@@H]1CCCCN1C(=O)CN1CCN(C)C(=O)C1 1661929721 KYVHRCBYPKYYFV-AWEZNQCLSA-N 306.410 -0.636 30 20 DBED C=CCCC(=O)NC1(CO)CCN(C[C@H](O)COC)CC1 1717349512 VGVDUJSXLQCSKX-ZDUSSCGKSA-N 300.399 -0.097 30 20 DBED C#CCNC(=O)CNC[C@H]1CCN(C(=O)C2CCOCC2)C1 1752928267 HNEZRISCMQALAR-CYBMUJFWSA-N 307.394 -0.400 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@H]1CCN(C(=O)c2cnon2)C1 1752954034 NVOVLHPUCHAUAG-WDEREUQCSA-N 305.338 -0.741 30 20 DBED CN(CC(=O)N(C)CCNCC(=O)NCC#N)CC(C)(C)C 1753232614 CKXIVASQUFTMFA-UHFFFAOYSA-N 311.430 -0.348 30 20 DBED COCC#CCN1CCO[C@@H](CNC(=O)C[C@@H]2CCOC2)C1 1753659309 SFNHDVNSQPZICS-GJZGRUSLSA-N 310.394 -0.120 30 20 DBED CN1CC(=O)N(CC(=O)N2CCCC[C@@H]2CCNCC#N)C1=O 1753789218 WKSBDIVGMPQIHE-GFCCVEGCSA-N 321.381 -0.235 30 20 DBED CN(CCN(C)C(=O)c1c[nH]c(C#N)c1)CC(=O)NCC#N 1753850944 MJYYYIBTHACIPP-UHFFFAOYSA-N 302.338 -0.470 30 20 DBED C=CCN1CC[C@@H]1CNC(=O)CN1CCS(=O)(=O)CC1 1754502299 FCFWVJIVBHKMHQ-GFCCVEGCSA-N 301.412 -0.907 30 20 DBED C[C@@H](CC(N)=O)C(=O)N1CCN([C@@H]2CCN(CC#N)C2)CC1 1754662645 CXODLAUITGWMKC-QWHCGFSZSA-N 307.398 -0.760 30 20 DBED C=C(C)CN1CC[C@@](O)(CNC(=O)[C@@H]2CN(CC)CCO2)C1 1754762398 OSHTVEHTIPLXAF-GOEBONIOSA-N 311.426 -0.164 30 20 DBED C=CCOCC(=O)NCC1(O)CN([C@@H](C)c2cnccn2)C1 1754764890 RFHAMCCCQUEKPA-LBPRGKRZSA-N 306.366 -0.097 30 20 DBED C=CCN1CC(O)(CNC(=O)C2(S(C)(=O)=O)CCCC2)C1 1754775992 LEZMMWJFYFAYRO-UHFFFAOYSA-N 316.423 -0.307 30 20 DBED C=CCN[C@@H](C)[C@@H]1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)C1 1754795684 RNZLANHGKKNCGI-QWHCGFSZSA-N 320.393 -0.440 30 20 DBED COCC#CCN[C@H](C)[C@@H]1CCN(C(=O)C(=O)NCC2CC2)C1 1754802800 GZUUUHOHIVCQRM-UKRRQHHQSA-N 321.421 -0.011 30 20 DBED C#CCNC(=O)CNC1(CNC(=O)c2cncnc2)CCC1 1754981429 QFQFYJQKNHOZIF-UHFFFAOYSA-N 301.350 -0.532 30 20 DBED COCC#CCN[C@H](C)[C@@H](C)NC(=O)c1cn(C)c(=O)n1C 1755268439 GCFVXSKHSJUIFM-VXGBXAGGSA-N 308.382 -0.530 30 20 DBED C[C@@H](CCCNC(=O)CN1C(=O)CNC1=O)NC(=O)[C@H](C)C#N 1756342409 XZDGNTVWTHRHCF-ZJUUUORDSA-N 323.353 -0.901 30 20 DBED CC(=O)N(C)CC(=O)NC[C@H](CO)NC(=O)C#CC(C)(C)C 1756503970 SPTPCBANFQNPON-GFCCVEGCSA-N 311.382 -0.893 30 20 DBED C#CCOCCC(=O)N[C@H]1CC[C@H](CNC(=O)CC(=O)NC)C1 1756642112 PPVMNSZZFSBFJC-STQMWFEESA-N 323.393 -0.437 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@H](NC(=O)c2cnns2)C1 1757157784 GORLQYLZHAWKAB-BDAKNGLRSA-N 312.351 -0.958 30 20 DBED C=C(C)CCC(=O)N[C@@H]1CN(C(=O)[C@@]2(C)CCNC2=O)C[C@@H]1O 1757179348 ORUKVDHFFWFQBJ-WQGACYEGSA-N 323.393 -0.443 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(C(=O)c2cn(C)cn2)C[C@@H]1O 1757185715 ZXBKOLBCWVJXSM-YPMHNXCESA-N 322.365 -0.686 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](NC(=O)C(F)F)[C@H]1C 1757495273 GGLVBQJBLKQVOW-BDAKNGLRSA-N 301.293 -0.503 30 20 DBED N#CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cn1cnnn1)C2 1795461022 HRJIYSGAMXYGQH-JGPRNRPPSA-N 303.326 -0.775 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(C)(C)C 1795567302 JRFRNWUOHNZHJF-JJLQDPRZSA-N 307.394 -0.403 30 20 DBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)OC)C2)C1 1839805106 CEQPZQMYOYEISC-INIZCTEOSA-N 324.377 -0.499 30 20 DBED COCCCC(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1841266199 PHLSETGRZMLWSN-UHFFFAOYSA-N 308.334 -0.296 30 20 DBED CC(C)CNC(=O)C(=O)N1CCCC12CN(C(=O)CC#N)C2 1843432367 PPNUOEMAAQKMKB-UHFFFAOYSA-N 306.366 -0.124 30 20 DBED C=CCNC(=O)CN1CCN(CC(=O)N2CCCCC2)CC1 53422680 VUTFXBWTRAILTH-UHFFFAOYSA-N 308.426 -0.081 30 20 DBED CN(C)CCN1C[C@@H](C(=O)N[C@@]2(C#N)CCSC2)CC1=O 81024321 HBCOSGDNGBOUKV-SMDDNHRTSA-N 310.423 -0.088 30 20 DBED C#CCN(CC(=O)O)C(=O)Nc1ccc(S(N)(=O)=O)cc1 92483095 VJTIBBHORHITAM-UHFFFAOYSA-N 311.319 -0.114 30 20 DBED CN(C)CCN(CCN(C)C)S(=O)(=O)N(C)CCC#N 112362215 QRQPTDGRYSBTQW-UHFFFAOYSA-N 305.448 -0.498 30 20 DBED C#CCCN1CCN(C(=O)CNC(=O)c2ccccn2)CC1 265827707 SGELJWQWVXKGLJ-UHFFFAOYSA-N 300.362 -0.021 30 20 DBED N#CCN(C(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)C1CC1 266296497 RUVGAOLSLVBULR-FPQZTECRSA-N 303.318 -0.337 30 20 DBED COCCN(CC(=O)OC)S(=O)(=O)c1ccc(C#N)o1 286718160 BMEYYGSSKVCZFF-UHFFFAOYSA-N 302.308 -0.039 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N1CC[C@H](CS(C)(=O)=O)C1 292208948 MHRXVNVETFWFJO-MNOVXSKESA-N 317.411 -0.247 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H](C)CN1CCN(C)CC1 330393607 QMCPGCKRJISTLT-OLZOCXBDSA-N 317.459 -0.452 30 20 DBED CC[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)Cn1cnc(C#N)n1 331178101 XWNRLERQVNYBQE-UWVGGRQHSA-N 322.394 -0.034 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N(CCOC)CC(=O)OC 337085501 DKMMNVULYWIGGS-NSHDSACASA-N 321.399 -0.166 30 20 DBED C[C@@H]1COCCN1CCNC(=O)C(=O)Nc1ccc(C#N)cn1 339998598 GXCOCSPKMDULIU-LLVKDONJSA-N 317.349 -0.271 30 20 DBED CNC(=O)[C@H](CCSC)NS(=O)(=O)N(C)C[C@H](C)C#N 341666695 PECRBVSEDBXKRL-ZJUUUORDSA-N 322.456 -0.220 30 20 DBED N#CCN(CC#N)C(=O)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1 342248210 DFDIMVBTSUBMIP-NWDGAFQWSA-N 306.322 -0.731 30 20 DBED COc1ccc(NC(=O)C(=O)N(C[C@@H](C)C#N)C2CC2)nn1 342262630 RRSJLYFAQWGFCK-VIFPVBQESA-N 303.322 0.574 30 20 DBED C=CC[C@H](CO)CNC(=O)CN(C)[C@@H]1CCS(=O)(=O)C1 342414042 SDVLFLQOZPHJMZ-NWDGAFQWSA-N 304.412 -0.594 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H]2C(C)(C)O)C1=O 345449033 NVOLBXAGMMECCK-JTQLQIEISA-N 323.349 -0.275 30 20 DBED CC[C@@H](C)[C@@H](NS(C)(=O)=O)C(=O)N1CCN(CC#N)CC1 345548418 OIXUZWCYGVUFLN-VXGBXAGGSA-N 316.427 -0.382 30 20 DBED C[C@H](CN(C)C)NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 356493910 ZHVWVIBMRAALGK-LLVKDONJSA-N 324.406 -0.097 30 20 DBED C=CCCn1cc(C(=O)N[C@H](CC)CNS(C)(=O)=O)nn1 424863547 JPTCWMKUQSSURB-SNVBAGLBSA-N 315.399 -0.088 30 20 DBED CCN(C[C@@H](C)C#N)C(=O)C(=O)Nc1ccn(CCOC)n1 437398629 UETNEPGJSKIPQU-NSHDSACASA-N 307.354 0.476 30 20 DBED C#CCN1CCN(C(=O)CN2CCN(C[C@@H](C)O)C[C@H]2C)CC1 491143592 GLEDBWAWWXZXCU-HZPDHXFCSA-N 322.453 -0.849 30 20 DBED C#CCNC(=O)CCn1c(=O)c2c(ncn2CCC)n(C)c1=O 491464826 UDVRSHPGIRBVLP-UHFFFAOYSA-N 317.349 -0.554 30 20 DBED N#C[C@]1(NC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)CCOC1 548139245 SIHUNZVKUQAYEL-ZIBATOQPSA-N 305.334 -0.040 30 20 DBED N#Cc1ccc(O[C@H]2CCN(C(=O)C3(CO)COC3)C2)nc1 557474733 VWIJQIVWXSUGES-LBPRGKRZSA-N 303.318 -0.058 30 20 DBED C[C@@H]1CN(C(=O)C(=O)Nc2cccc(C#N)n2)C[C@H](CO)O1 564948073 QXCDMPYDEYXJGO-MWLCHTKSSA-N 304.306 -0.500 30 20 DBED C[C@H]1CN(c2c(C#N)c(=O)n(C)c(=O)n2C)C[C@H](C)S1=O 581523222 LCWSABQLSWUCIQ-IUCAKERBSA-N 310.379 -0.699 30 20 DBED CS(=O)(=O)N1CCN(CCN=c2cc[nH]c(C#N)c2)CC1 587439313 WPQDGLMKSOXJPT-UHFFFAOYSA-N 309.395 -0.636 30 20 DBED CN(C)C1(CNC(=O)C(=O)NC2CCN(CC#N)CC2)CCC1 588638430 GGWZYAGYQLOEPB-UHFFFAOYSA-N 321.425 -0.309 30 20 DBED CC#CC[C@H](CO)NS(=O)(=O)c1scnc1C(=O)OC 592111009 DXMLKCJWTQUPOT-MRVPVSSYSA-N 318.376 -0.018 30 20 DBED CN(CCC#N)S(=O)(=O)N1CCC[C@H](N2CCOCC2)C1 601424486 KJKPLFQNBCPZFO-ZDUSSCGKSA-N 316.427 -0.127 30 20 DBED CO[C@H]1COC[C@H]1S(=O)(=O)N1CCN(CCC#N)CC1 601534335 BNQWSKCEOGJPGY-NWDGAFQWSA-N 303.384 -0.739 30 20 DBED COCCNCCc1cn([C@H](C)C(=O)N(C)CCC#N)nn1 603190584 VZKUROMZJOXLHK-GFCCVEGCSA-N 308.386 -0.010 30 20 DBED C=CCOC[C@@H](NC(=O)C(=O)Nc1cc(C)on1)C(=O)OC 619544523 YIJKZGIFWPFJDV-SECBINFHSA-N 311.294 -0.218 30 20 DBED C=CCC(F)(F)C(=O)N(C)CC(=O)N[C@H]1CCS(=O)(=O)C1 815013749 QZGOQJLMDQLBHM-VIFPVBQESA-N 324.349 -0.041 30 20 DBED CNC(=O)CNC(=S)NN=C1C[C@H]2C[C@H](C(=O)OC)[C@H]1C2 817325766 FSKKMFPGCSFOBU-HLTSFMKQSA-N 312.395 -0.228 30 20 DBED C=C[C@H](O)C(=O)NCc1csc(N(C)C(=O)[C@H](O)C=C)n1 826839611 SSUUZHARTUDXPY-VHSXEESVSA-N 311.363 -0.184 30 20 DBED C[C@](O)(Cn1ccccc1=O)C(=O)N[C@H]1CCCN(O)C1=O 848134300 RGZXCALWLHSHKM-HZMBPMFUSA-N 309.322 -0.904 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)c1oc(S(N)(=O)=O)cc1C 850252745 GNHFDYGDCNIMFU-QMMMGPOBSA-N 314.319 -0.470 30 20 DBED C#CCNS(=O)(=O)N1CCN(Cc2cccc(F)n2)CC1 851873501 BFQRKORABARJRO-UHFFFAOYSA-N 312.370 -0.194 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1CS(=O)(=O)C[C@@H]1OC 855476482 PESFCLHUPAXVCG-SRVKXCTJSA-N 300.380 -0.988 30 20 DBED C#CCN1CCC[C@@H](NC(=O)N2CCCS(=O)(=O)CC2)C1 890369654 YRKBOZFYOPSLBY-CYBMUJFWSA-N 313.423 -0.086 30 20 DBED C=CCOC[C@@H]1NC(=O)N(CC2(N3CCOCC3)CC2)C1=O 925391996 YQTKTCCDKASCHU-LBPRGKRZSA-N 309.366 -0.026 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ncc[nH]2)C1 938170269 FWHVEBMLQMXYDL-STQMWFEESA-N 315.377 -0.162 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)Cn2ncn(C)c2=O)[C@@H](C)C1 942201010 RUQRJCCODSLWKL-QWHCGFSZSA-N 307.398 -0.016 30 20 DBED C=C[C@@](C)(CC)C(=O)N1CC(N(C)C(=O)Cn2ncnn2)C1 954349989 OKASXUVBBVUQGW-AWEZNQCLSA-N 306.370 -0.055 30 20 DBED C#CCCN1C[C@H](CNC(=O)c2c[nH]c(C(N)=O)c2)[C@@H](O)C1 958673575 SYPCYAHVXNFDGU-AAEUAGOBSA-N 304.350 -0.841 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cn2nccn2)C1 958855901 AXAIENCQXIXWQA-RYUDHWBXSA-N 321.381 -0.480 30 20 DBED O=C(C[C@H]1CCCO1)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 961681336 CVDXKQVRIOIKSE-MCIONIFRSA-N 306.362 -0.343 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CN(C(=O)C3=CCOCC3)CCO2)C1 965360878 JVNOVUVMJHJWCY-GFCCVEGCSA-N 319.361 -0.067 30 20 DBED CC#CCN1CC([C@H](C)NC(=O)[C@@H]2CC(=O)N(CCOC)C2)C1 969787271 CJEVBWKBPBWKIA-UONOGXRCSA-N 321.421 -0.059 30 20 DBED C=CCN1CC[C@H](N[C@@H]2CCN(C(=O)c3nc[nH]n3)C2)C1=O 970297437 RGCIQNSDAZFVJK-MNOVXSKESA-N 304.354 -0.604 30 20 DBED C=CCCN1CC([C@@H](C)NC(=O)C2CC3(C2)NC(=O)NC3=O)C1 970575518 TXJQXACPJODTDC-VHTNMKBUSA-N 320.393 -0.013 30 20 DBED C#CCCN1CCO[C@]2(CCN(C(=O)[C@@H]3CCC(=O)NC3)C2)C1 972442896 BGLUYJUAXXCBDF-RHSMWYFYSA-N 319.405 -0.161 30 20 DBED C[C@H]1[C@H](NCc2nnn(C)n2)CCN1C(=O)c1c[nH]c(C#N)c1 986172981 HESYCKYJRFCDPD-JOYOIKCWSA-N 314.353 -0.197 30 20 DBED C#Cc1ccc(C(=O)N2CC(NC(=O)[C@H]3COC(=O)N3)C2)cn1 991118949 RXQZIUVTUBINBM-GFCCVEGCSA-N 314.301 -0.888 30 20 DBED COCCn1cc(C(=O)NC2CN(C(=O)[C@@H](C)C#N)C2)nn1 991475716 KCJBZQRMNVPERX-VIFPVBQESA-N 306.326 -0.975 30 20 DBED Cc1c[nH]c(C(=O)N[C@H]2CCN(C(=O)C#CC3CC3)C[C@@H]2O)n1 991508669 MCBQREWMQKEBLK-STQMWFEESA-N 316.361 -0.177 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CC(NC(=O)C(N)=O)C1 992149771 CATZXJNJKTYVMN-QQFIATSDSA-N 309.366 -0.536 30 20 DBED C[C@H]1[C@H](NC(=O)CN2CCCS2(=O)=O)CCCN1CC#N 993411441 HWIAKVRJFVUBHP-NWDGAFQWSA-N 314.411 -0.485 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC(NC(=O)C2CC(OC)C2)C1 994095349 WHVKLRJHCMHDII-ZALBZXLWSA-N 319.405 -0.164 30 20 DBED C=CCn1cccc1C(=O)NC1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 994191672 BNYIHUQEEHCMJD-NEPJUHHUSA-N 316.361 -0.264 30 20 DBED C[C@@H](C#N)C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cn1cnnn1 995711531 LPJCDOBRICIUFA-VLEAKVRGSA-N 303.326 -0.919 30 20 DBED C=C(C)C(C)(C)C(=O)N1CC(NC(=O)[C@H]2CN(C)C(=O)N2)C1 997451312 NGGXRFFGMPVEEC-LLVKDONJSA-N 308.382 -0.061 30 20 DBED CC#CCN1CCC[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 1008726252 IVCWIVBBVVQYHM-LBPRGKRZSA-N 318.377 -0.699 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](CNC(=O)c3cc[n+]([O-])cc3)[C@H]2C1 1008750871 DSMWYSINAJZUNT-DOERSZECSA-N 314.345 -0.086 30 20 DBED N#Cc1ccccc1CN1CC[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 1015634336 LPFDLOKBCGVIOK-KBPBESRZSA-N 313.361 -0.070 30 20 DBED N#CCN1[C@H]2CC[C@H]1CC(NC(=O)[C@H]1CCS(=O)(=O)N1)C2 1021463320 ZAAABHIMKQODEE-SDDRHHMPSA-N 312.395 -0.687 30 20 DBED N#CCN1CCCC[C@H]1CNC(=O)[C@H]1CCS(=O)(=O)N1 1024807564 UUCQDIZDEBCSPE-WDEREUQCSA-N 300.384 -0.828 30 20 DBED COc1nc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2O)co1 1024821753 DRGOCCQSLSIPNX-NQMVMOMDSA-N 308.294 -0.856 30 20 DBED Cn1c(O)ncc(C(=O)NC2CCC(NCC#N)CC2)c1=O 1026539029 BBAQCJQIVXTNQW-UHFFFAOYSA-N 305.338 -0.360 30 20 DBED C#CCNC1CCC(NC(=O)c2cn(CC(N)=O)nn2)CC1 1026609584 NJEWMNOJZZYHIT-UHFFFAOYSA-N 304.354 -0.973 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2CCN1C(=O)CNC1=O 1029244770 LLTSNEOFXJYEJP-SDDRHHMPSA-N 319.365 -0.627 30 20 DBED C=CCCN1[C@H]2CC[C@H]1CN(C(=O)[C@@H]1CC(=O)NC(=O)N1)C2 1029494358 CUKLUQPDYJRLIY-SRVKXCTJSA-N 306.366 -0.164 30 20 DBED C=CCN1CCCC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C1 1034545243 ZVQRNJGEMNEUEH-LLVKDONJSA-N 306.370 -0.466 30 20 DBED CNC(=O)[C@H](C)N1CCO[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 1035325252 CTSORPXLPAWHKR-JQWIXIFHSA-N 319.365 -0.549 30 20 DBED C#CCN1CC2(CCN(C(=O)c3cn(C)c(=O)n3C)CC2)C1 1035858339 GUGGPPHIBKCHDN-UHFFFAOYSA-N 302.378 -0.105 30 20 DBED CC#CCN1CC[C@H]2CN(C(=O)Cn3c(O)nnc3O)CC[C@H]21 1036880024 XVZKBJNTCMHDNK-NWDGAFQWSA-N 319.365 -0.365 30 20 DBED NC(=O)C(=O)N[C@H]1[C@H]2C[C@H]1N(CC#Cc1ccc(F)cc1)C2 1037564513 OMTKECDLQZQQBJ-YUTCNCBUSA-N 301.321 -0.149 30 20 DBED C#CCCCC(=O)NC[C@@]1(O)CCN(C(=O)Cn2cccn2)C1 1039573443 HNXLNSIJTXMMEQ-INIZCTEOSA-N 318.377 -0.234 30 20 DBED C#CCOCCC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2C[C@H]2C)C1 1040499323 KYVWCADPYJEDHZ-XJKCOSOUSA-N 308.378 -0.238 30 20 DBED Cc1nonc1C(=O)N1CC[C@@](O)(CNC(=O)[C@@H](C)C#N)C1 1040769300 KTIONZVNXZUMJV-ISVAXAHUSA-N 307.310 -0.769 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)c2ccc(O)nc2)C1 1040892091 DOEQVAQKQIZEQZ-BONVTDFDSA-N 318.333 -0.360 30 20 DBED COC[C@@H](C)C(=O)N1CC(O)(CNC(=O)CSCC#N)C1 1041568053 FCSDFABXKNETNY-SNVBAGLBSA-N 315.395 -0.785 30 20 DBED C#CCCCCC(=O)N1CC(O)(CNC(=O)[C@H]2COCCO2)C1 1041594739 QCHHLNZDTAYGHO-CYBMUJFWSA-N 324.377 -0.715 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)c2c[nH]c(=O)cn2)C1 1041960195 HOLCNNLFBQLUNQ-UHFFFAOYSA-N 306.322 -0.961 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)c2ccnc(C)n2)C1 1042801721 RIRRVKWCKDUAON-UHFFFAOYSA-N 316.361 -0.108 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)Cc2ccnn2C)C1 1042803043 QZNYSGBXSDURLE-UHFFFAOYSA-N 318.377 -0.544 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)c2ccon2)C1 1043032989 OEFRRXFEMUEPNF-UHFFFAOYSA-N 307.306 -0.982 30 20 DBED COCC(C)(C)CC(=O)N1CC(O)(CNC(=O)[C@H](C)C#N)C1 1045558777 AXUPZFLFCOTOTO-LLVKDONJSA-N 311.382 -0.102 30 20 DBED C#CCN1CCC(C(=O)N[C@@]2(C)CCN(CC(=O)NC)C2)CC1 1046849941 MNEKGUSKHCVWFJ-KRWDZBQOSA-N 320.437 -0.342 30 20 DBED CN(C(=O)Cn1cc(C2CC2)cn1)[C@H]1CN(CC#N)C[C@@H]1O 1047436356 YJZIMMYMLCGADR-KBPBESRZSA-N 303.366 -0.212 30 20 DBED C=C(C)CN1C[C@H](O)[C@@H](N(C)C(=O)[C@@]2(C)CCC(=O)NC2)C1 1047496840 KXLUMMNMSGSYFC-XEZPLFJOSA-N 309.410 -0.018 30 20 DBED C=CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]c(C(N)=O)c2)C1 1047628156 FMWKAIUGGCPVSP-STQMWFEESA-N 306.366 -0.193 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CN(CCN3C(=O)CNC3=O)C[C@@H]2C1 1048725543 SUDVEQWBPCBEDU-SDDRHHMPSA-N 319.365 -0.912 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cncn2C)C1 1049043986 XSWKXMGHVKRLOA-KBPBESRZSA-N 318.377 -0.133 30 20 DBED Cn1cnn(CC(=O)N2CCC[C@H]3[C@H]2CCN3CC#N)c1=O 1049561403 KSGGRYFEQORUNI-NWDGAFQWSA-N 304.354 -0.829 30 20 DBED N#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC(=O)NC(=O)N1 1049757120 ZECSGKSUJUEKSP-HBNTYKKESA-N 305.338 -0.827 30 20 DBED C=CCN1CCOC[C@H]1CNC(=O)c1cnc2[nH]nnc2c1 1050955162 IBMJGYCUSNSQFI-LLVKDONJSA-N 302.338 -0.031 30 20 DBED N#CCN1CCOC[C@H]1CNC(=O)c1ccnc2[nH]nnc12 1051017333 ONULRNIWFAVNBI-SECBINFHSA-N 301.310 -0.693 30 20 DBED N#CCN1CCOC[C@H]1CNC(=O)c1ccc2nnnn2c1 1051025410 IYPGFYYUNPXQLL-LLVKDONJSA-N 301.310 -0.922 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)[C@@H]1CN2CC3CC2(CO1)C3 1051037296 CXWDYMCFJNORMB-GWUWNPHMSA-N 319.405 -0.700 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)c1cn(CCC=C)nn1 1051155850 KKTAJNPFDUKOCW-CYBMUJFWSA-N 303.366 -0.082 30 20 DBED N#Cc1cncc(N2CC[C@H](NC(=O)c3cnco3)[C@H](O)C2)n1 1051754246 MIMHMSKEKCUKKO-WDEREUQCSA-N 314.305 -0.294 30 20 DBED N#CCN1CC2(C1)CN(C(=O)[C@@H]1CCCCC(=O)N1)CCO2 1053421107 DAWIMYCOUNBNBU-LBPRGKRZSA-N 306.366 -0.518 30 20 DBED C#CCCN1CC2(CC[C@@H](CNC(=O)c3nnn(C)n3)O2)C1 1053647179 OJAAFEUGVDDFJL-NSHDSACASA-N 304.354 -0.803 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)[C@H]3CCn4cncc4C3)CO2)C1 1053851032 IZTGCTNLLVPYNZ-STQMWFEESA-N 315.377 -0.071 30 20 DBED N#Cc1c[nH]c(C(=O)N2CCN(c3ccc4nnnn4n3)CC2)c1 1055761720 WYWAPPBMJZBVGZ-UHFFFAOYSA-N 323.320 -0.319 30 20 DBED N#Cc1nccc(N2CCN(C(=O)CO[C@@H]3CCOC3)CC2)n1 1055910577 DQENFOCJHUFKFL-GFCCVEGCSA-N 317.349 -0.198 30 20 DBED N#Cc1nccc(N2CCN(C(=O)c3c[nH]c(=O)cn3)CC2)n1 1055989691 AAIVMAQFISSCKC-UHFFFAOYSA-N 311.305 -0.606 30 20 DBED C[C@H](C#N)C(=O)N[C@]1(CO)CCCN(C(=O)c2ccncn2)C1 1056096228 GRLRCEFRVVPWOE-IAQYHMDHSA-N 317.349 -0.280 30 20 DBED N#Cc1cnc(N[C@@H]2CCN(C(=O)[C@@H]3COCCO3)C2)cn1 1056556541 DPJZTLUWAFJWFW-PWSUYJOCSA-N 303.322 -0.224 30 20 DBED N#Cc1ccc(N2CCCN(C(=O)Cn3cnnn3)CC2)cn1 1057092999 JYQHSFLOIARKRD-UHFFFAOYSA-N 312.337 -0.321 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)[C@H]1C[C@@H](C)CO1 1057193752 OZPQARPNQJDZKS-CHWSQXEVSA-N 314.382 -0.449 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)c1cn(C)cn1 1057344814 AVNQTWRAUKTSRT-UHFFFAOYSA-N 306.366 -0.226 30 20 DBED CCn1nccc1C(=O)N(CCO)CCNC(=O)C#CC1CC1 1057422199 YLTQFMRGSGHNAZ-UHFFFAOYSA-N 318.377 -0.133 30 20 DBED N#Cc1ccc(N2CC[C@H](NC(=O)[C@@H]3CCC(=O)N3)C2)nn1 1058408226 BFYTXWUSACYPIR-QWRGUYRKSA-N 300.322 -0.678 30 20 DBED C[C@@H](CC(=O)N(CCO)CCNC(=O)[C@H](C)C#N)n1cccn1 1058833354 ZLFTVLVDUQZMFD-OLZOCXBDSA-N 321.381 -0.069 30 20 DBED N#Cc1cnc(N[C@H]2CCN(C(=O)CN3CCOCC3)C2)cn1 1058862886 WKDNRIJSNJGMPA-LBPRGKRZSA-N 316.365 -0.307 30 20 DBED N#Cc1ccc(N[C@H]2C[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)nn1 1059822937 DGHSXGGJEHXBAB-YTWAJWBKSA-N 300.322 -0.471 30 20 DBED CC(C)C#CC(=O)NC1(CNC(=O)CS(C)(=O)=O)CCC1 1062655295 AQNOQMKEDKSSDY-UHFFFAOYSA-N 314.407 -0.155 30 20 DBED CCCC(=O)NCC(=O)N1CCO[C@@H](CNC(=O)[C@H](C)C#N)C1 1064924265 LMJFJJSCWGDJDG-NEPJUHHUSA-N 324.381 -0.594 30 20 DBED C=CCCC(=O)N1CCO[C@@H](CNC(=O)CCCC(N)=O)C1 1064958974 DSKUFWPEUVRSIS-LBPRGKRZSA-N 311.382 -0.048 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)CC(C)(C)O)CCO1 1065101455 PYZUSYHZYLQMNJ-LBPRGKRZSA-N 314.382 -0.306 30 20 DBED Cc1nccn1CC(=O)N1CCO[C@H](CNC(=O)[C@@H](C)C#N)C1 1065171373 GUYJXQSHCRBNOI-WCQYABFASA-N 319.365 -0.305 30 20 DBED C=CC(C)(C)C(=O)N1CCO[C@@H](CNC(=O)CNC(C)=O)C1 1065420640 LYDQBNAMYYNGAH-LBPRGKRZSA-N 311.382 -0.322 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(O)(CN=c2cc[nH]c(C#N)n2)CC1 1067471880 VXRHMNAABGHCPZ-NSHDSACASA-N 314.349 -0.305 30 20 DBED CCNC(=O)CC(=O)N1CCOC2(C1)CN(C(=O)[C@@H](C)C#N)C2 1068384228 OJVLLNVKDSSKDS-NSHDSACASA-N 322.365 -0.888 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H]1CCC2(CN(C(C)=O)C2)O1 1068559756 FGUKEWCKDNZBGT-LBPRGKRZSA-N 307.350 -0.978 30 20 DBED N#Cc1cncc(NC[C@H]2C[C@H](NC(=O)[C@@H]3CNC(=O)N3)C2)n1 1068573149 KUJNHVKXJLYQIM-QXEWZRGKSA-N 315.337 -0.664 30 20 DBED C=CCCC(=O)N[C@H]1COC2(C1)CN(C(=O)[C@H]1COC(=O)N1)C2 1068753024 KXXSEIOXLRBHCB-GHMZBOCLSA-N 323.349 -0.453 30 20 DBED CN(C(=O)Cn1ncnn1)C1CC(Nc2cncc(C#N)n2)C1 1069774332 SWUUFDGYTHQILX-UHFFFAOYSA-N 313.325 -0.564 30 20 DBED N#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)Cc2cscn2)C1 1070046824 QLITUGWJGXWZMY-NEPJUHHUSA-N 317.378 -0.158 30 20 DBED C=CCN[C@@H]1CN(C(=O)c2cnn(C)c2)C[C@@H]1n1ccnn1 1070135833 DQEHQYNMGOPGON-OLZOCXBDSA-N 301.354 -0.147 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)[C@H]4CCNC(=O)C4)C[C@@]3(C1)O2 1070785654 YYQVGTZKFBNESB-SZOQZIPDSA-N 317.389 -0.553 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)CC(N)=O)C1 1070804490 YDRJPAXAGFCXMN-UPJWGTAASA-N 323.393 -0.050 30 20 DBED C=C[C@](C)(CCOC)C(=O)N1CCC[C@@H](NC(=O)C(N)=O)C1 1071025296 ZLKGCJXLXIJKAR-IAQYHMDHSA-N 311.382 -0.192 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(C(=O)CC2CC2)C[C@@H]1C 1071450149 ZMSCLIJILCSZKM-WCQYABFASA-N 305.378 -0.111 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CC[C@H](C)N(CC(N)=O)C2)nn1 1071883389 KJLMJPKLBHTHHP-QWRGUYRKSA-N 306.370 -0.468 30 20 DBED N#CCN1CCCO[C@H](CNC(=O)c2ccc(C(N)=O)o2)C1 1073686758 AJZLEBJBMYJTPJ-SNVBAGLBSA-N 306.322 -0.277 30 20 DBED C=CCN1CCO[C@@H]2CCN(C(=O)CN3CCCNC3=O)C[C@H]21 1074285080 UXSSCJYLBBPHRY-ZIAGYGMSSA-N 322.409 -0.111 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)c3cnc(O)n3C)C[C@@H]21 1074312772 RRRCBYHCKONWFS-QWHCGFSZSA-N 304.350 -0.326 30 20 DBED C[C@H](C#N)C(=O)N1CCC(O)(CNC(=O)C(C)(C)C(N)=O)CC1 1074706729 PIBXSNSTVHQILM-SNVBAGLBSA-N 324.381 -0.873 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)c2nc3nccc(C)n3n2)C1 1078121183 ULUKWHGEAQRAEO-VXGBXAGGSA-N 314.349 -0.769 30 20 DBED C=C[C@](C)(O)CC(=O)N(CC)C1CN(C(=O)C2(C(N)=O)CC2)C1 1079687045 OUWFWWUNFPTIRD-HNNXBMFYSA-N 323.393 -0.362 30 20 DBED C#CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)CC(=O)N(C)C)C1 1079777259 WTUXQZAUXQGCJD-GFCCVEGCSA-N 323.393 -0.438 30 20 DBED C=CC(C)(C)C(=O)N(CC)C1CN(C(=O)Cn2ncnn2)C1 1080220816 VPOYIQCOFWVWTA-UHFFFAOYSA-N 306.370 -0.055 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)CCN(C)C)C[C@@H]1O 1081439212 NIDCQASMGOYGHX-KBPBESRZSA-N 309.410 -0.323 30 20 DBED C=CCC(C)(C)C(=O)N1C[C@H](CNC(=O)c2cnn[nH]2)[C@@H](O)C1 1081589393 DTAJATQVCMLUBX-JQWIXIFHSA-N 321.381 -0.044 30 20 DBED C=C(C)CN1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)[C@H](OC)C1 1082129250 IRPSZLHKRRXTHT-YVECIDJPSA-N 311.382 -0.589 30 20 DBED C=C(C)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)CN1CCOCC1 1083055122 XXIVEULJLCVFHP-LSDHHAIUSA-N 309.410 -0.194 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@H]2CN(C(C)C)CCO2)C1 1083723447 KOVPTCUGWKNEFJ-QLFBSQMISA-N 309.410 -0.720 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCCN2C(=O)CCC)C1 1084084784 AUTCTACNBMBXPL-ILXRZTDVSA-N 321.421 -0.038 30 20 DBED C=C(C)CN1CC[C@@H]2CN(C(=O)CN3CCN(C)C(=O)C3)[C@@H]2C1 1084464804 TUEDMBHSZAJSGU-HUUCEWRRSA-N 320.437 -0.131 30 20 DBED C#CCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 1085593932 VFYQXYCSDOTVKE-CHWSQXEVSA-N 315.377 -0.072 30 20 DBED CC#CCN1CC[C@@H]2CN(C(=O)C3CS(=O)(=O)C3)C[C@@H]2C1 1087978227 RNSXNJPJKNMRTR-OLZOCXBDSA-N 310.419 -0.165 30 20 DBED C#CCCN1CC[C@H](NC(=O)[C@H]2CCN(C)S2(=O)=O)[C@H]1C 1088913312 PPESLABUAWJOTE-FRRDWIJNSA-N 313.423 -0.377 30 20 DBED C#CCN1CC[C@H](NC(=O)c2ccc(NC(C)=O)cn2)[C@H](O)C1 1090312085 DGTXENPFFAGROG-DZGCQCFKSA-N 316.361 -0.162 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2ccnn2CCOC)[C@@H](O)C1 1090348844 GIAVUOMGNFMUFB-ZFWWWQNUSA-N 320.393 -0.282 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2cc(OCC)n[nH]2)[C@@H](O)C1 1090354816 MAKHAIULPOYOMB-AAEUAGOBSA-N 306.366 -0.003 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(c2nc(C)cc(C)n2)C[C@H]1O 1090488395 IULCDZRRNUKFJK-MGPQQGTHSA-N 318.377 -0.203 30 20 DBED C=CCN1CC[C@@H](NC(=O)c2nc3ncccn3n2)[C@H](O)C1 1090664130 PPCXKBLUELQVAW-GHMZBOCLSA-N 302.338 -0.525 30 20 DBED C=CCN1CC[C@@H](NC(=O)c2ccnc3nc(C)nn23)[C@H](O)C1 1090724956 NTMMDPJAZKZTIV-DGCLKSJQSA-N 316.365 -0.216 30 20 DBED CO[C@@H]1CN(c2nccnc2C#N)C[C@H]1NC(=O)CCN(C)C 1090937060 XPOGKKILLLURAF-CHWSQXEVSA-N 318.381 -0.380 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@@H]1O 1091118565 PETHDGKANAQNGZ-UHTWSYAYSA-N 317.349 -0.395 30 20 DBED COc1ccnc(N2CC[C@H](NC(=O)C#CC3CC3)[C@H](O)C2)n1 1092151047 JEVMMCWLHDAEDJ-QWHCGFSZSA-N 316.361 -0.046 30 20 DBED N#Cc1nc(=NC2CC(CNC(=O)Cn3nccn3)C2)cc[nH]1 1092243660 PYJAHFZRSAKXIY-UHFFFAOYSA-N 312.337 -0.631 30 20 DBED Cc1ccc(C#N)c(N2CCO[C@](C)(CNC(=O)C(N)=O)C2)n1 1092774286 BZSNSUBNEXKGOX-OAHLLOKOSA-N 317.349 -0.542 30 20 DBED CN1C[C@@H](C(=O)NCCNc2ccc(C#N)nn2)CCC1=O 1093679816 CGLUHCMFVWMZNO-JTQLQIEISA-N 302.338 -0.255 30 20 DBED C#CCCN1CC(N2C[C@H](NC(=O)Cc3ccc[nH]3)CC2=O)C1 1094816597 CVNWVCCVQFZSRU-CQSZACIVSA-N 314.389 -0.018 30 20 DBED C[C@@H](CNC(=O)C1CS(=O)(=O)C1)Nc1nccnc1C#N 1098071367 VIJLUWNOMQBHLZ-QMMMGPOBSA-N 309.351 -0.691 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CCN(C)C1=O)Nc1cncc(C#N)n1 1098193744 JJBABVGSWNNFNF-ONGXEEELSA-N 302.338 -0.257 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cn1nc(C)ccc1=O 1098255290 FAORDEZJDBJYMX-MCIONIFRSA-N 300.362 -0.094 30 20 DBED C#CCN(CCO)C1CCN(C(=O)c2cnn(C)c2N)CC1 1098351661 SWFRKNGVTNYCRZ-UHFFFAOYSA-N 305.382 -0.466 30 20 DBED C[C@@H](CCNC(=O)[C@H]1CCC(=O)N1)Nc1nccnc1C#N 1098930958 XLHSIQRWCPMVQE-VHSXEESVSA-N 302.338 -0.066 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)Cc2cc(C)on2)[C@H](O)C1 1099744794 XGMWVNRLBKBVJA-HUUCEWRRSA-N 321.377 -0.273 30 20 DBED CCNC(=O)CN1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@H](O)C1 1099775871 LEHQXLAHYCUMNO-DGCLKSJQSA-N 319.365 -0.813 30 20 DBED C#CCCN1CC[C@H](NC(=O)CNC(=O)c2ccoc2)[C@H](O)C1 1099845356 VZAWXVZAPSNFRH-UONOGXRCSA-N 319.361 -0.416 30 20 DBED CN(CCNC(=O)[C@]1(C)CCC(=O)NC1)c1nccnc1C#N 1100286221 NGHNHEKDMGFQTO-OAHLLOKOSA-N 316.365 -0.183 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)c2[nH]c(C)nc2C)C1 1100682474 MIYLLIKQUQQXCQ-UHFFFAOYSA-N 317.393 -0.126 30 20 DBED CN(CCNc1ccc(C#N)cn1)C(=O)C[C@@H]1CC(=O)NC1=O 1101680582 SXROLKZNNMSPAK-NSHDSACASA-N 315.333 -0.124 30 20 DBED C#CCN1C[C@@H](C)[C@H](CCNC(=O)Cn2ncn(C)c2=O)C1 1103164947 DGUYTLIIEKPEGR-CHWSQXEVSA-N 305.382 -0.711 30 20 DBED C[C@H](CNC(=O)C[C@@H](C)NC(N)=O)CNc1cncc(C#N)n1 1104098867 FNVWUUXPODJUIU-VHSXEESVSA-N 319.369 -0.041 30 20 DBED CN(CCN(C)c1nccnc1C#N)C(=O)CS(C)(=O)=O 1105342232 UUWPDXPRUJHSEE-UHFFFAOYSA-N 311.367 -0.713 30 20 DBED N#CCSCC(=O)NC[C@H](O)CNc1ccc(C#N)nn1 1105755657 VCWNVBBDNMBJTH-SNVBAGLBSA-N 306.351 -0.506 30 20 DBED COCC1(CC(=O)NC[C@@H](O)CN=c2cc[nH]c(C#N)n2)CC1 1105819275 WTXIEDPJHRZGLS-NSHDSACASA-N 319.365 -0.524 30 20 DBED C[C@H](C(=O)NC[C@@H](O)CNc1nccnc1C#N)n1cncn1 1105829473 SOGPPUKNGYJKIL-ZJUUUORDSA-N 316.325 -0.910 30 20 DBED CCOCCOCC(=O)NC[C@H](O)CNc1cnc(C#N)cn1 1105871663 ISZQNYLRMIDIQA-GFCCVEGCSA-N 323.353 -0.710 30 20 DBED Cc1ccc(C#N)c(NC[C@@H](O)CNC(=O)CCCC(N)=O)n1 1105883301 TVGRGPOOAQDDIV-LBPRGKRZSA-N 319.365 -0.194 30 20 DBED Cc1nc(NC[C@@H](O)CNC(=O)[C@@H](C)CC(N)=O)ccc1C#N 1106060509 WNALCQOWZQWUQI-JOYOIKCWSA-N 319.365 -0.338 30 20 DBED C[C@@H](CCNc1cncc(C#N)n1)NC(=O)CCn1cnnn1 1106418528 LWPGRMITJZZPBJ-JTQLQIEISA-N 315.341 -0.268 30 20 DBED CC(=O)N[C@@H](C)C(=O)NC/C=C\CNc1ccc(C#N)nn1 1107021703 XYZCZNNWRKYZRQ-XOULXFPDSA-N 302.338 -0.043 30 20 DBED C[C@@]1(C(=O)NC/C=C\CN=c2cc[nH]c(C#N)n2)CNC(=O)C1 1107422479 SFMZWFNOESQKNF-GWQWAINWSA-N 314.349 -0.619 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC/C=C\CN=c1cc[nH]c(C#N)n1 1107573178 IBYUVULGOBEIAO-NQHOJNORSA-N 324.388 -0.048 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)C[C@@H]1COC(=O)C1 1107684585 SPTGFEWGKZDHEX-ZJUUUORDSA-N 303.322 -0.360 30 20 DBED C[C@H](CNc1ncccc1C#N)NC(=O)Cn1ncn(C)c1=O 1107996293 OYWKMBXKRDDILL-SNVBAGLBSA-N 315.337 -0.535 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)c2ccn(C)c(=O)c2)C1 1108031670 COAFZCFGGKPORX-MRXNPFEDSA-N 303.362 -0.161 30 20 DBED CC#CCN1CCO[C@](C)(CNC(=O)[C@@H]2CN(C)C(=O)N2)C1 1108119470 NVORIWFKNXICJD-SWLSCSKDSA-N 308.382 -0.760 30 20 DBED C[C@H]1C[C@@H]1C(=O)NC[C@]1(C)CN(CC(=O)NCC#N)CCO1 1108133575 BJQNKOIKMKYMBT-SLEUVZQESA-N 308.382 -0.511 30 20 DBED COC(=O)c1nc(=NC[C@H](C)NC(=O)CSCC#N)cc[nH]1 1108254472 IVURQSKNZOCHMM-VIFPVBQESA-N 323.378 -0.142 30 20 DBED C#CCCN1CCO[C@@](C)(CNC(=O)c2cc(C(N)=O)c[nH]2)C1 1108304621 ILKWAAQGZOWDKV-INIZCTEOSA-N 318.377 -0.042 30 20 DBED C[C@@]1(CNC(=O)C2CCN(C(N)=O)CC2)CN(CC#N)CCO1 1108388020 WFQVBAAKCNTAFQ-OAHLLOKOSA-N 323.397 -0.492 30 20 DBED CCOCCN1CC(N2C[C@H](NC(=O)C#CC3CC3)CC2=O)C1 1108545590 ZDWVDMARLLIEDB-CQSZACIVSA-N 319.405 -0.162 30 20 DBED COCCC[C@H](C)C(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1 1108584160 BBZLPHRYYNCDBA-QWHCGFSZSA-N 322.409 -0.026 30 20 DBED COC[C@]1(C(=O)N[C@@H](C)CN=c2cc[nH]c(C#N)n2)CCOC1 1108614197 JHPBTJHROOOUOV-XHDPSFHLSA-N 319.365 -0.260 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1cnon1 1109175403 JHVBCSHSAACXHT-AGIUHOORSA-N 317.349 -0.569 30 20 DBED O=C(C#CC1CC1)N[C@H]1[C@H]2C[C@H]1N(c1nccn3nnnc13)C2 1109700911 DYSKNJXKNQCNPI-LOWVWBTDSA-N 309.333 -0.374 30 20 DBED CCS(=O)(=O)N(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC#N 1109913669 QQMNBTZYZKXKKR-WOPDTQHZSA-N 314.411 -0.487 30 20 DBED C[C@@H](C(=O)NCC1(Nc2cnc(C#N)cn2)CC1)S(C)(=O)=O 1110389669 CLSIZUIXIQYIBQ-VIFPVBQESA-N 323.378 -0.158 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H](C)NC(N)=O 1110486435 GXFASDWHQRMAMW-LOWDOPEQSA-N 308.382 -0.586 30 20 DBED CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC#N 1110583624 FMUDFFWGSKNUMQ-QCNOEVLYSA-N 314.411 -0.441 30 20 DBED CC(=O)N[C@@H](C)C(=O)N(CCO)CCNc1ccc(C#N)nc1 1111413964 PNZCRMHXHNGHGF-NSHDSACASA-N 319.365 -0.289 30 20 DBED CN(C)CCC(=O)N[C@]12CCC[C@H]1CN(CC(=O)NCC#N)C2 1111861441 NJLQEDFHQVOGJH-BBRMVZONSA-N 321.425 -0.451 30 20 DBED C[C@@H]1CN(C(=O)CNC(N)=O)C[C@@H]1Nc1nccnc1C#N 1112306692 JZMJNCBHWUUWAY-SCZZXKLOSA-N 303.326 -0.725 30 20 DBED CCC(=O)NCC(=O)N1C[C@H](C)[C@@H](N=c2cc[nH]c(C#N)n2)C1 1112313509 ZKHRJWBLQQPUCF-QWRGUYRKSA-N 316.365 -0.445 30 20 DBED Cc1ccc(N2C[C@H](O)[C@H](CNC(=O)CSCC#N)C2)nn1 1112724616 BLKKMUAWUJNJSO-NEPJUHHUSA-N 321.406 -0.045 30 20 DBED C=CCOCC(=O)NC[C@H](C)N(C)c1ccc2nnnn2n1 1113540713 AEXQDVJOFYQFBP-JTQLQIEISA-N 305.342 -0.337 30 20 DBED C[C@@H](CNC(=O)Cn1cnnc1O)N(C)c1ccc(C#N)nn1 1113569222 VEKYYHDWAZAGNT-VIFPVBQESA-N 316.325 -0.714 30 20 DBED C[C@H](C#N)C(=O)NC1[C@H]2CN(CCN(C)S(C)(=O)=O)C[C@H]12 1114066531 DLWHODATAPQOKF-VWYCJHECSA-N 314.411 -0.916 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3c[nH]c(C#N)c3)[C@H]2C1 1114148238 CLWYTGIKMADMLG-STQMWFEESA-N 311.345 -0.704 30 20 DBED N#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)C3=CCOCC3)[C@H]2C1 1114164970 ZEIPMFHLBJAVCC-IMRBUKKESA-N 304.350 -0.981 30 20 DBED CCCC[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)CNC(C)=O 1114193171 QKPYATHARVRXAM-GFCCVEGCSA-N 318.381 -0.007 30 20 DBED Cc1c[nH]nc1C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1114231436 AZWHJWNUWMGGBH-IWIIMEHWSA-N 302.338 -0.982 30 20 DBED CC#CCN1C[C@H]2[C@H](NC(=O)CCCN3C(=O)CCC3=O)[C@H]2C1 1114371143 BZSIPOBNUZABDF-LAQFHYBYSA-N 317.389 -0.015 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)Cc3cnoc3)[C@@H]2C1 1114725152 ZRWUWPREFFQWNY-VXGBXAGGSA-N 304.350 -0.434 30 20 DBED C#CCN1C[C@@H]2C(NC(=O)[C@H](Cc3cnc[nH]3)NC(C)=O)[C@H]2C1 1114770045 MSPIVABIIZRHKH-IHRRRGAJSA-N 315.377 -0.864 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)Cn3ccnc3)[C@H]2C1 1115343540 LBMXZLNOQAXYBO-CXTNEJHOSA-N 317.393 -0.380 30 20 DBED C=CCS(=O)(=O)CCNC(=O)[C@H]1CCc2nnn(C)c2C1 1117679661 ABMWDYHKZXNPGY-JTQLQIEISA-N 312.395 -0.363 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2C[C@H]3CCC[C@@]3(N)C2)nn1 1118767884 ZRBBSPTVBUNDRT-IAQYHMDHSA-N 318.381 -0.580 30 20 DBED C[C@@H]1CCN(CC(=O)NC[C@H](CO)Nc2cnc(C#N)cn2)C1 1122528498 VDVMKRNWZAFPEU-DGCLKSJQSA-N 318.381 -0.421 30 20 DBED CC(C)OCCC(=O)N(C)C[C@@H](O)CN=c1cc[nH]c(C#N)n1 1124045205 FTBSYMJNXXMDRK-LBPRGKRZSA-N 321.381 -0.184 30 20 DBED CC(=O)N[C@H](C)C(=O)N(C)C[C@@H](O)CNc1ccc(C#N)nn1 1124059467 HVVFTNSMDCEKPB-SKDRFNHKSA-N 320.353 -0.896 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)c1ccnn1C 1124150712 WWUHYFTVONJJFG-SNVBAGLBSA-N 315.337 -0.951 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NCCN[C@H](C)c1nnnn1C 1127604308 CUIKADANXOQULT-UTUOFQBUSA-N 308.386 -0.042 30 20 DBED CC#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H](C)NC(C)=O)C1 1128652650 NZKYNEHKOQYBQG-YUTCNCBUSA-N 318.381 -0.833 30 20 DBED CC#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)CN(C)C(C)=O)C1 1128729987 AWOFTFUZOUTIJK-KGLIPLIRSA-N 318.381 -0.879 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H](C)CCOC)C1 1129445860 XPILABKJAXCMEO-MJBXVCDLSA-N 305.382 -0.075 30 20 DBED C=CCCC(=O)N1C[C@H](n2ccnn2)[C@H](NC[C@@H](O)COC)C1 1129666783 IISJNJFDTVBVMP-MCIONIFRSA-N 323.397 -0.407 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCN[C@H]1CCN(CC)C1=O 1129771388 WUVGHLYHJHFMEO-KBPBESRZSA-N 306.410 -0.589 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1cccnc1C1CC1 1130825372 IYYHWSCPUSRNMN-UHFFFAOYSA-N 301.350 -0.082 30 20 DBED C#CCCN[C@H](C)C[C@@H](C)NC(=O)CCS(=O)(=O)NC 1134352086 MXGKZDFWBOSICT-VXGBXAGGSA-N 303.428 -0.178 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1ccn(C(C)C)n1 1134596746 RIKRLSFKIHJWPZ-GFCCVEGCSA-N 305.382 -0.079 30 20 DBED C#CCCN[C@@H](C)C[C@@H](C)NC(=O)CCn1ncn(C)c1=O 1135070097 IHEHGRNPBMKLKW-QWHCGFSZSA-N 307.398 -0.132 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC2(CN(C(=O)[C@H](C)C#N)C2)C1 1147256462 UUMNTEAZINEVBS-OLZOCXBDSA-N 302.378 -0.182 30 20 DBED COCCCNC(=O)CCC(=O)N1CC2(CCN(CC#N)C2)C1 1148571342 ILIUCHGJJDZMJH-UHFFFAOYSA-N 322.409 -0.023 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H]1CN(CCCF)CCCO1 1149589974 WKGDXJQPJPSAAW-CYBMUJFWSA-N 313.373 -0.307 30 20 DBED C=CCN1CCCO[C@H](CNC(=O)CN2CCC(=O)NC2=O)C1 1150555214 ZLOTXRSMYAOUKG-GFCCVEGCSA-N 324.381 -0.679 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)c1ccnn1C 1152307490 DOZUGOONZVATFJ-GFCCVEGCSA-N 305.382 -0.390 30 20 DBED N#CCNC(=O)CNCCCNC(=O)[C@@H]1C[C@@H]2CCCCN2C1 1158039749 UBVZBRAYQONALR-KGLIPLIRSA-N 321.425 -0.404 30 20 DBED CC#CCN1CCO[C@H]2CCN(C(=O)CNC(=O)CC)C[C@@H]21 1176961490 AAPFAHSUVKJLRX-KBPBESRZSA-N 307.394 -0.162 30 20 DBED CCNC(=O)CN1CCO[C@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21 1177005718 JLWIHBYHMLRFQU-GJZGRUSLSA-N 319.405 -0.162 30 20 DBED C[C@H]1[C@@H](NCCNS(C)(=O)=O)CCN1C(=O)[C@H](C)C#N 1178351672 VLHVEVIMAYVEJY-VWYCJHECSA-N 302.400 -0.726 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CCNC2=O)[C@H]1C 1179317852 CXDYXDRRSAEMOO-TUAOUCFPSA-N 308.382 -0.996 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](NCC(=O)NC(=O)NC(C)(C)C)C1 1181663915 VTYRPPDSNXNPGX-WDEREUQCSA-N 323.397 -0.039 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2nnn(C)c2C)C1 1181812482 UCALIVKFKUJBQJ-ZYHUDNBSSA-N 320.397 -0.382 30 20 DBED CN(C)[C@@H](C(=O)N1CC[C@@H](NCC(=O)NCC#N)C1)C1CC1 1183266861 HBLPAYPEJOTCKK-TZMCWYRMSA-N 307.398 -0.843 30 20 DBED C=CCO[C@H](C)C(=O)N1CC[C@@H](NCCN2CCNC2=O)C1 1188302255 XOSXGUBVKHPHJV-CHWSQXEVSA-N 310.398 -0.207 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)C[C@@H]2COC(=O)C2)C1 1189642497 RJIADOYQNMDIEA-STQMWFEESA-N 321.377 -0.778 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)[C@H]2CCCCN2C)C1 1190948023 SGPLPZLRMQTOHB-HUUCEWRRSA-N 320.437 -0.247 30 20 DBED CC#CCN(C)[C@@H]1CCN(C(=O)c2cnc(O)n(C)c2=O)C1 1191674487 JEJGFYCJCVVFIC-LLVKDONJSA-N 304.350 -0.345 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2nc(C)c[nH]2)C1 1192766688 DGGUSIXVQDVHKV-GFCCVEGCSA-N 303.366 -0.386 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)NC(=O)COC)C1 1193156141 CBTOWCFGJIXLPB-GMTAPVOTSA-N 319.789 -0.949 30 20 DBED C#CCCN(C)[C@H]1CCN(C(=O)CN2CCC(=O)NC2=O)C1 1193309551 CYWZTNKCXFYBGI-LBPRGKRZSA-N 306.366 -0.516 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1CN(CCN2CCNC2=O)C[C@H]1O 1195312958 YSFYMESTZIQIIS-VXGBXAGGSA-N 310.398 -0.615 30 20 DBED C#CCOCCC(=O)N1CCCN(Cc2cnnn2C)CC1 1195824125 JKTWBOKBAXSUGZ-UHFFFAOYSA-N 305.382 -0.111 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCCN(C(=O)c2[nH]nnc2C)CC1 1196711089 QCXLPIFGYPALTO-GFCCVEGCSA-N 320.397 -0.048 30 20 DBED C#CCNC(=O)CNC[C@H]1CN(C(=O)/C(C)=C\C)CCCO1 1200216002 RHFRKPCKGXVYHR-UUSOHVMFSA-N 307.394 -0.091 30 20 DBED CC#CCNC[C@H]1CN(C(=O)C[C@H](C)NC(N)=O)CCCO1 1200509175 FKPSJQYNKVMRJP-STQMWFEESA-N 310.398 -0.336 30 20 DBED N#CCNC(=O)CNC1CCN(C(=O)COCC(F)F)CC1 1201785476 JFDGNECVOAZOAR-UHFFFAOYSA-N 318.324 -0.512 30 20 DBED C=CCNC(=O)[C@@H](C)NC1CCN(C(=O)[C@@H]2CCC(=O)N2)CC1 1203407733 OYRZAPXPTPGAKW-YPMHNXCESA-N 322.409 -0.464 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(Cc2ccn(C)n2)C[C@H]1C 1206887730 ZCDNAZSOPGEAFA-TZMCWYRMSA-N 317.393 -0.504 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)CCc1ncc[nH]1 1206921141 BKBAACSQXSVDFR-VXGBXAGGSA-N 318.381 -0.581 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2cn(C)nn2)C[C@H]1C 1206963357 BCOZXNHMFIKITJ-YRGRVCCFSA-N 305.382 -0.210 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1CN([C@H]2CCC(=O)NC2=O)C[C@H]1OC 1213268609 NVRNJUCVGBQZNW-GRYCIOLGSA-N 323.393 -0.181 30 20 DBED C=CCOCCN1C[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)[C@H](OC)C1 1213442435 QZNHUQQWBJSSIX-YVECIDJPSA-N 311.382 -0.874 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@@H](NC(C)=O)C(C)(C)C)[C@H](OC)C1 1213993040 MGRJHEWYOBHHJH-MGPQQGTHSA-N 309.410 -0.014 30 20 DBED C#CCCN[C@@H]1CN(C(=O)[C@@H]2Cc3cncn3C(=O)N2)C[C@H]1C 1215202365 WCQNCOFJIYNXOJ-KWCYVHTRSA-N 315.377 -0.175 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)CN2CCCC2)C[C@H]1C 1216757734 KIZRKHZCNYXNJC-QLFBSQMISA-N 320.437 -0.343 30 20 DBED C=C(C)CCC(=O)N1CCO[C@@H]2CN(Cc3nnn(C)n3)C[C@@H]21 1218038326 ZTGKOMQEHSFUSL-QWHCGFSZSA-N 320.397 -0.022 30 20 DBED CC[C@H](F)C(=O)N1CCO[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1218428689 HCUGCUGDSXIPRC-SDDRHHMPSA-N 312.345 -0.714 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)CC[C@H]2CCCN2C)C1 1219830004 LADUVBAZNQSUKF-OAGGEKHMSA-N 323.437 -0.328 30 20 DBED C=CCCCCCN1C[C@H](O)[C@H](NC(=O)[C@H]2CN(C)C(=O)N2)C1 1220132714 QVLSFJANNVCHDQ-MCIONIFRSA-N 324.425 -0.082 30 20 DBED C=C(C)C[C@H](C)C(=O)N[C@@H]1CN(Cc2nc(O)n[nH]2)C[C@@H]1O 1220201357 NRZNIHPEUJXQAI-AXFHLTTASA-N 309.370 -0.226 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)c2cncc(OC)n2)C1 1220485261 JRELFGJHMSFFRA-OLZOCXBDSA-N 322.365 -0.537 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)CNC(=O)c2cccc(F)c2)C1 1220902733 XTJDGKMCSBDJQU-OLZOCXBDSA-N 320.324 -0.760 30 20 DBED C=CCN1CCC(CNC(=O)Cn2ccc(=O)n(C)c2=O)CC1 1223383258 UJYCFKPQNIZGCV-UHFFFAOYSA-N 320.393 -0.439 30 20 DBED CC#CCN1CC[C@@H]2CCN(C(=O)CS(=O)(=O)NC)C[C@@H]21 1224162973 XWFZATHRMAKFEN-OLZOCXBDSA-N 313.423 -0.518 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC(NC(=O)CNC(=O)CC)CC1 1226624701 CMSVARMARAFVPY-GFCCVEGCSA-N 322.409 -0.769 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)[C@H](C)n2cncn2)CC1 1226907235 VZUCHQHPMPNNSR-LBPRGKRZSA-N 320.397 -0.278 30 20 DBED N#CCCCCS(=O)(=O)NC[C@H](O)CN1CCCC1=O 1253479070 RAGDEOWOIFLMLF-NSHDSACASA-N 303.384 -0.417 30 20 DBED C#CCOCCN(C)[C@@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 1319772719 CLYQPQNFRZLHCT-QWHCGFSZSA-N 316.423 -0.398 30 20 DBED C=CCN1CCC(NC(=O)C(=O)N[C@@H](C)C[S@](C)=O)CC1 1322802330 IGIKVGKCMVCTTQ-MQJDWESPSA-N 315.439 -0.364 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N[C@@H]2CC[C@@H](OC)C2)nn1 1325941285 ZZDYSQJQODSPPL-ZYHUDNBSSA-N 307.354 -0.236 30 20 DBED C#CC1CCN(C(=O)C(=O)NCCN2C(=O)CCC2=O)CC1 1332223770 OIKOYOKEWUCEBF-UHFFFAOYSA-N 305.334 -0.877 30 20 DBED O=C(C[C@@H]1CCCS(=O)(=O)C1)N[C@@H]1CCCN(O)C1=O 1332910204 ZFEUTYWPPFWAAV-VHSXEESVSA-N 304.368 -0.302 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N1CC(OCCOC)C1 1333167846 HIDROFGOYBDFTQ-GFCCVEGCSA-N 312.366 -0.595 30 20 DBED C=CCS(=O)(=O)CCn1nnnc1N1C[C@@H]2[C@@H](C1)C2(F)F 1335897648 YRCBSBULCRQJGO-RKDXNWHRSA-N 319.337 -0.025 30 20 DBED C#CCN(C(=O)C(=O)NCc1nnn(C(C)(C)C)n1)C(C)C 1338111294 PHPLONPBGSUMNK-UHFFFAOYSA-N 306.370 -0.086 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N[C@@H]2COc3ccccc3C2)CCO1 1345203088 GMMWTTBXBRTAOY-QWHCGFSZSA-N 315.329 -0.143 30 20 DBED CC(=O)NCCCNC(=O)C(=O)Nc1cc(C)c(C#N)cn1 1346453582 WZGSKQPYCMBUPT-UHFFFAOYSA-N 303.322 -0.157 30 20 DBED C=CCn1c(CCO)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1356153264 XORAZEYURLQOLH-SNVBAGLBSA-N 300.384 -0.378 30 20 DBED N#Cc1ccnc(C(=O)N2CCS(=O)(=O)[C@@H]3COCC[C@H]32)c1 1362537444 TZFDCBRISAMPTP-CHWSQXEVSA-N 321.358 -0.019 30 20 DBED C[C@H](CNC(=O)CO[C@@H]1CCOC1)NC(=O)c1cc(C#N)c[nH]1 1376833716 OMCRDAXDBBXJIT-ZYHUDNBSSA-N 320.349 -0.074 30 20 DBED CCS(=O)(=O)CC(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H](C)C#N)C1 1384485244 DGLISOSIAZDUCM-GARJFASQSA-N 315.395 -0.408 30 20 DBED CN(CCNC(=O)c1ncn(C)n1)C(=O)c1ccc(C#N)[nH]1 1387708884 VFYZYHQGYDHPEH-UHFFFAOYSA-N 301.310 -0.483 30 20 DBED C[C@@H](CNC(=O)c1cnn[nH]1)N(C)C(=O)c1c[nH]c(C#N)c1 1404407137 TXPJHSPFBSGEJF-QMMMGPOBSA-N 301.310 -0.105 30 20 DBED Cc1onc(CC(=O)N[C@H]2CCc3nnnn3CC2)c1C#N 1413144741 PSFXXGQZMXUYQO-VIFPVBQESA-N 301.310 -0.095 30 20 DBED C[C@@]1(CNC(=O)NCCn2cc(C#N)c(O)nc2=O)CCOC1 1413729525 PAJVJGBAUOEBOD-AWEZNQCLSA-N 321.337 -0.454 30 20 DBED CNC(=O)NCCC(=O)N1CC[C@H](CN(C)C(=O)[C@@H](C)C#N)C1 1415930274 DIYKRPKZFANXEW-NWDGAFQWSA-N 323.397 -0.228 30 20 DBED C[C@H](C#N)C(=O)NCC1CN(C(=O)CN2CCCCC2=O)C1 1416123775 NROXBXKKFAMOQT-LLVKDONJSA-N 306.366 -0.267 30 20 DBED CNC(=O)NCC(=O)NCC1(NC(=O)c2c[nH]c(C#N)c2)CC1 1417150321 FQCJBILDSFOEFU-UHFFFAOYSA-N 318.337 -0.806 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNCC(=O)NCCC(C)(C)C 1422263429 IFINZQUTWNLHNI-VXGBXAGGSA-N 312.414 -0.235 30 20 DBED COCCN(CCNC(=O)c1cnnc(O)c1)C(=O)[C@H](C)C#N 1426048670 GPQPGPDKVCONLD-SNVBAGLBSA-N 321.337 -0.453 30 20 DBED COc1nccc(C(=O)N2CC[C@H](NC(=O)[C@H](C)C#N)C2)n1 1428139693 WPWJVOQJTXUNGN-ZJUUUORDSA-N 303.322 -0.024 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CN(C)C(=O)c1ccnc(O)c1 1444627528 NMICBPIBCFGNHT-GXSJLCMTSA-N 306.322 -0.504 30 20 DBED C=C(Cl)CNC[C@@H](O)CNC(=O)[C@@H]1CCCN1C(N)=O 1482799697 QXZCTNSUKZTYSB-ZJUUUORDSA-N 304.778 -0.651 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCc2cc(N)ccn2)C1=O 1574935819 MOSSHZOMFLKKGR-UHFFFAOYSA-N 317.305 -0.743 30 20 DBED C=CCN(C)C[C@@H](O)CN(C)C(=O)[C@H](C)OCc1cnn[nH]1 1575100819 XJXMDJRMLGZLDE-WCQYABFASA-N 311.386 -0.353 30 20 DBED CNC(=O)Cn1cc(NC(=O)C2CC3(CNC[C@H]3C#N)C2)cn1 1578560236 UTVCSNPJSORCMF-LOIXOFCESA-N 316.365 -0.293 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N(C)[C@H]1C[C@@H](C(=O)O)C1 1588390225 OLBMDJGBVJZKJU-UTUOFQBUSA-N 310.350 -0.147 30 20 DBED C=CCCC(=O)NC[C@@H](O)CNc1cncc(-c2nn[nH]n2)n1 1588569861 GLKFLFXVECPSKY-VIFPVBQESA-N 318.341 -0.488 30 20 DBED C#CC[C@@H](CO)NS(=O)(=O)c1ccc(C)cc1-c1nn[nH]n1 1602697843 UBSBLYYYLYQNGX-JTQLQIEISA-N 321.362 -0.162 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N[C@]1(CC(=O)O)CCCOC1 1603129364 DSZWTEYOORGFSE-JQWIXIFHSA-N 319.383 -0.064 30 20 DBED C[C@@H](CC(=O)O)CC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1604104715 AGMMESXATVWSES-GBIKHYSHSA-N 314.363 -0.116 30 20 DBED Cc1nc(C(=O)OCC(=O)NCC#N)ccc1-c1nn[nH]n1 1609448438 GPLNXWCKKSNJQJ-UHFFFAOYSA-N 301.266 -0.633 30 20 DBED COC(=O)c1nscc1S(=O)(=O)N1CCOC[C@@H]1C#N 1645627199 NDJLNWNXEVTSQO-ZETCQYMHSA-N 317.348 -0.157 30 20 DBED CC#CCNC[C@H]1CCCCN1C(=O)CN1C(=O)CNC1=O 1713268571 VZYHYOBVMWKCEM-GFCCVEGCSA-N 306.366 -0.468 30 20 DBED C#CCNC(=O)CN[C@H](CNC(=O)c1cc(C)[nH]n1)C1CC1 1752451980 QSEIGWUHZKXEJT-CYBMUJFWSA-N 303.366 -0.434 30 20 DBED C=CCNC(=O)CN[C@H](C)CNC(=O)[C@@H]1CCc2c[nH]nc2C1 1752919867 MTZFMLZWTSJHOE-VXGBXAGGSA-N 319.409 -0.089 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H]1CCCN1CC(=O)NC1CC1 1753103977 WMZYSNCZBGDWNU-OCCSQVGLSA-N 307.394 -0.116 30 20 DBED C=CCNC(=O)CN(CCNC(=O)c1cnnc(O)c1)C1CC1 1753155369 KHZQGQOBIRSSBF-UHFFFAOYSA-N 319.365 -0.321 30 20 DBED COCC#CCN1CC[C@H](CCNC(=O)CNC(=O)C2CC2)C1 1753321374 GABUMWMWHUKJAJ-AWEZNQCLSA-N 321.421 -0.009 30 20 DBED C#CCNC(=O)CN1CC(NC(=O)c2cc(OC)ns2)C1 1753377165 OYGJPIRSMBMNPA-UHFFFAOYSA-N 308.363 -0.685 30 20 DBED C#CCN1CCC(C(=O)NC[C@@H](C)CN[C@H](C)C(=O)NC)CC1 1753645006 QFLYWKAWLWECLK-UONOGXRCSA-N 322.453 -0.192 30 20 DBED C=C(C)CCNC[C@H](O)CNC(=O)[C@H]1CCc2nnn(C)c2C1 1753925632 NAUSWQUFMUIDLW-STQMWFEESA-N 321.425 -0.047 30 20 DBED CCN(CCNCC#N)C(=O)c1cnc2c(c1)NC(=O)CO2 1754056275 XIQRJLCNVMKERB-UHFFFAOYSA-N 303.322 -0.012 30 20 DBED C#CCNC[C@@H](NC(=O)Cc1ccc(C(N)=O)nc1)C1CC1 1754446046 YZMUWJAXMGRDKD-CQSZACIVSA-N 300.362 -0.159 30 20 DBED CC(C)(C(=O)NC[C@H]1CCN1CC(=O)NCC#N)N1CCCC1 1754489745 DHPXALRDMBXNOK-CYBMUJFWSA-N 321.425 -0.309 30 20 DBED COCCCn1cc(C(=O)NCC2(O)CN(CC#N)C2)cn1 1754778423 ZSVUWNNWPUCPSU-UHFFFAOYSA-N 307.354 -0.780 30 20 DBED C#CCOCCC(=O)N1C[C@H](CNCc2nc(O)n[nH]2)[C@@H](C)C1 1754815371 QVVRZDRQZPRJRZ-RYUDHWBXSA-N 321.381 -0.266 30 20 DBED Cc1cc(C)n(CC(=O)NC2(CO)CCN(CC#N)CC2)n1 1755178710 OHKUVBGJRAJPKL-UHFFFAOYSA-N 305.382 -0.033 30 20 DBED C=C(C)CCC(=O)N[C@H](C)[C@@H](C)NCC(=O)N1CCNC(=O)C1 1755237508 QAKUVFCAMJHEDJ-CHWSQXEVSA-N 324.425 -0.216 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@H](C)N(C)Cc1ncnn1C 1755303534 NNHQTJGDGINOLX-KGLIPLIRSA-N 318.425 -0.151 30 20 DBED C#CCN[C@@H](C)[C@@H]1CN(C(=O)CCN2CCCC2=O)CCO1 1755448978 ZSBRCJXTNUUUJF-KBPBESRZSA-N 307.394 -0.162 30 20 DBED C[C@@H]1[C@@H](NC(=O)Cn2ccnc2)CCCN1CC(=O)NCC#N 1755722728 LBITWDZSKCABET-OLZOCXBDSA-N 318.381 -0.508 30 20 DBED C#CCCN(C)C[C@@H](O)CN(C)C(=O)[C@]1(C)CCNC(=O)C1 1755802451 VOOIIAKOVWGJLY-CZUORRHYSA-N 309.410 -0.323 30 20 DBED C#CCNC(=O)CNC1CC(N(C)C(=O)CN(C)CCC)C1 1755864693 XJBJYMFEHVUHQX-UHFFFAOYSA-N 308.426 -0.343 30 20 DBED C#CCCCC(=O)NC[C@@H](O)CN(C)C(=O)c1cn(C)cn1 1756658914 BXWKILBKRZAODK-GFCCVEGCSA-N 306.366 -0.227 30 20 DBED CC(C)C#CC(=O)N1CC[C@H]2CN(C(=O)CCNC(N)=O)C[C@H]21 1756957416 NSNKBJJNQAGPJD-QWHCGFSZSA-N 320.393 -0.237 30 20 DBED C=CCCC(=O)N1C[C@@H](NC(=O)C[C@@H]2CCNC2=O)[C@H](OC)C1 1757131700 SCZHNQLBTLOTJI-YNEHKIRRSA-N 323.393 -0.179 30 20 DBED C=CCCOCC(=O)N(C)C[C@H]1CCN1C(=O)[C@H]1CCC(=O)N1 1757294518 KGIGYJBFQHDIGL-CHWSQXEVSA-N 323.393 -0.083 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CCC(NC(N)=O)CC1 1771689592 NGQSHLSGVIEDFG-UHFFFAOYSA-N 303.388 -0.401 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)Cc1ccn(C)n1)CCO2 1783049777 RGXWFFHVLAINKL-MRXNPFEDSA-N 316.361 -0.574 30 20 DBED C#CCCC(=O)N1CCO[C@]2(CCN(C(=O)CCC(N)=O)C2)C1 1783155710 BMAYVZLRZDYFBP-INIZCTEOSA-N 321.377 -0.505 30 20 DBED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](N)[C@@H](C)CC)C[C@@H]21 1790790499 DWMBBSFWEXSUFF-SMSYFYOWSA-N 321.421 -0.027 30 20 DBED C#CCCC(=O)N1CCCC12CN(C(=O)C[C@@H](NC)C(=O)O)C2 1846995563 AGLCMQIHCUJLNA-GFCCVEGCSA-N 321.377 -0.334 30 20 DBED CN(C)c1ncc(CNS(=O)(=O)N(C)CCC#N)n1C 74356405 HSUQJZPHQZIKTN-UHFFFAOYSA-N 300.388 -0.334 30 20 DBED CC(=O)NC[C@@H]1CN(CC(=O)N[C@](C)(C#N)C(C)C)CCO1 172182521 FEYZXCLFUFDXOM-UKRRQHHQSA-N 310.398 -0.122 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCCCCCCO)C1=O 271943916 XCKFHIQIEGNWDM-UHFFFAOYSA-N 311.338 -0.368 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N(CC)CC(=O)NCC 272957739 LAHHFSOVKFEFGI-UHFFFAOYSA-N 305.400 -0.245 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)[C@H]2CC(=O)N(CCOC)C2)C1=O 281470379 UDOGYBJSCYKMPY-STQMWFEESA-N 323.393 -0.273 30 20 DBED C#CCNC(=O)[C@H](C)Nc1cccc(C(=O)NCC(=O)NC)c1 283573933 QOJPPXUGHIBCEL-NSHDSACASA-N 316.361 -0.288 30 20 DBED C[C@@H]([C@@H](C)NC(=O)NCCn1cnc(C#N)n1)N1CCOCC1 287548496 VJTLRVJXBJUYMD-NEPJUHHUSA-N 321.385 -0.442 30 20 DBED N#CCNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 299644810 IPPFHLBHRKVPQY-UHFFFAOYSA-N 309.347 -0.039 30 20 DBED Cn1cncc1C/N=C(/O)N[C@H]1CCCN(S(C)(=O)=O)C1 329596607 IQUYGNSEEWIJJV-JTQLQIEISA-N 315.399 -0.152 30 20 DBED COC[C@H](C)/N=C(/O)NC(=O)CN1CCNC(=O)[C@H]1C(C)C 330658025 MNGYWBYUFQYOIJ-CMPLNLGQSA-N 314.386 -0.492 30 20 DBED CCC(=O)N[C@H]1CCCN(/C(O)=N/CCS(=O)(=O)NC)C1 331317830 ZAWNLMXJZGTTQK-JTQLQIEISA-N 320.415 -0.560 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CCO[C@H](CC(=O)OC)C1 336951082 UHPRLEVZEOBYDT-LLVKDONJSA-N 319.383 -0.269 30 20 DBED CC(=O)NC[C@H]1CN(S(=O)(=O)N(C)C[C@H](C)C#N)CCO1 337082254 ZIGYVOJJZULYRI-PWSUYJOCSA-N 318.399 -0.840 30 20 DBED C=CC[C@@H](CO)CNC(=O)C(=O)Nc1ccn(CCN(C)C)n1 341427572 BPBFAFFYBWNASB-GFCCVEGCSA-N 323.397 -0.316 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)Nc1cc(C)n(CC(=O)NC)n1 342444469 KUSZGTHZCIIXJZ-JTQLQIEISA-N 322.369 -0.250 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1CCCN([C@@H](C)CO)CC1 346663976 XKNSHDMENIUBPS-STQMWFEESA-N 312.414 -0.225 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N1CCN(Cc2ncc[nH]2)CC1 358452314 PJSFNAMHTAFORA-GFCCVEGCSA-N 320.397 -0.072 30 20 DBED C#CCCCC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 370070724 CDHXSWMVDQTQBK-CHWSQXEVSA-N 314.407 -0.596 30 20 DBED CN[C@@H](C)CNC(=O)C(=O)NCCOc1ccc(C#N)cc1 419458916 CJCXKMKUYGTKAF-NSHDSACASA-N 304.350 -0.223 30 20 DBED Cc1cccc(NC(=O)C(=O)NC[C@H](C)S(N)(=O)=O)c1C#N 442359467 ZNOCNLUJTYJTFL-VIFPVBQESA-N 324.362 -0.402 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 451877764 KELMPJUHURTHIX-QWHCGFSZSA-N 316.427 -0.271 30 20 DBED C#CCN(C(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1)C1CC1 491815958 QZOCHKQLCYEVIE-JTQLQIEISA-N 310.379 -0.289 30 20 DBED N#Cc1ccc(S(=O)(=O)N(CC(=O)O)CC(=O)O)c(F)c1 548532333 QJBTWUYLNZKSTB-UHFFFAOYSA-N 316.266 -0.143 30 20 DBED COC[C@](C)(O)C(=O)N1CCN(c2cnccc2C#N)CC1 553356964 GIURFIGEUYRCPE-HNNXBMFYSA-N 304.350 -0.001 30 20 DBED C=CCCC[C@H](C)NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 579253771 JYXCWWLGTOYZKQ-AVGNSLFASA-N 322.409 -0.382 30 20 DBED COCCN([C@@H](C)C(=O)O)S(=O)(=O)N(C)[C@H](C)CC#N 580718404 RCIDVIRGFQPGEX-ZJUUUORDSA-N 307.372 -0.113 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)c2cn3c(n2)CCC3)CC1 583874113 IRQNTZXXJWQBSZ-UHFFFAOYSA-N 317.393 -0.111 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)Nc1ccn(CC(=O)OCC)n1 594553516 BBNNJCAVEYIAAN-SNVBAGLBSA-N 323.353 0.258 30 20 DBED CNC[C@H]1CCCN1C(=O)C(=O)N1CCN(CCC#N)CC1 601584244 TUXKOTKGBLGZCD-CYBMUJFWSA-N 307.398 -0.745 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H]1CCN(C)C(=O)C1 619714162 AAKNRNRYUUMKRW-GHMZBOCLSA-N 302.400 -0.077 30 20 DBED C=C(C)C[C@@H](NC(=O)CNS(=O)(=O)CCCOC)C(=O)O 630319463 BAQANBGGMSTYGN-SNVBAGLBSA-N 322.383 -0.522 30 20 DBED CC#CC[C@H](CO)NC(=O)CNS(=O)(=O)CCOC(C)C 649185796 LJSBDPDIFXHZDT-GFCCVEGCSA-N 320.411 -0.779 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@]2(CC)CCOC2)C1=O 682978561 LRKMTHHGGFIZMN-AWEZNQCLSA-N 309.322 -0.352 30 20 DBED C#CCN1CCC(C(=O)OCC(=O)N[C@H](C)C(=O)N(C)C)CC1 772119061 CDVRHBWPJXRLOQ-GFCCVEGCSA-N 323.393 -0.532 30 20 DBED C#C[C@H](NC(=O)NC1CCN(CC(=O)NC)CC1)[C@@H]1CCCO1 773192826 YTZBRUWDFRCWKE-KBPBESRZSA-N 322.409 -0.323 30 20 DBED N#CC1(COC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)CC1 775861815 VWPIVSLDYFQLAW-LSKIRQOJSA-N 304.302 -0.004 30 20 DBED Cc1cc(O)cc(=O)n1CC(=O)OCC(=O)NC1(C#N)CCC1 784232337 CLLOUZIYGWWSDI-UHFFFAOYSA-N 319.317 -0.032 30 20 DBED N#CCCNC(=O)COC(=O)CNc1ccc(C(N)=O)cc1 786283363 MGKHKTJZPHBNPT-UHFFFAOYSA-N 304.306 -0.230 30 20 DBED C[C@@H](CNC(=O)NCC(=O)NCC#N)NC(=O)OC(C)(C)C 805399835 WRHZRJYWDVYUPG-VIFPVBQESA-N 313.358 -0.161 30 20 DBED Cc1onc(N)c1S(=O)(=O)NC(=O)c1cccc(C#N)n1 810830852 AWERJUIKGONPTJ-UHFFFAOYSA-N 307.291 -0.049 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[nH]n1 824035289 WERABYDMQXXBMP-ZETCQYMHSA-N 303.330 -0.277 30 20 DBED C#CCN1CCC[C@@H](NC(=O)NCCC(=O)N2CCOCC2)C1 884070841 ZYAHCIJWJKQROM-CQSZACIVSA-N 322.409 -0.368 30 20 DBED C#CCNC(=O)C1CCN(C(=O)N[C@H]2C[C@@H](C)OC2=O)CC1 896336188 LRVUMUXEEJAUNA-PWSUYJOCSA-N 307.350 -0.139 30 20 DBED C#CCNC(=O)CCN[C@@H]1CCCN(CCN2CCOCC2)C1 905446759 LRPXPLUHTYKEDZ-MRXNPFEDSA-N 322.453 -0.488 30 20 DBED C#CCNC(=O)C1CCN(C(=O)[C@H]2CCCC(=O)N2C)CC1 906462550 PTAUSUGDBQMDAJ-CYBMUJFWSA-N 305.378 -0.015 30 20 DBED C#CC1(O)CN(S(=O)(=O)c2csc(C(=O)OC)c2)C1 908232765 VQYOTONLLJVFSI-UHFFFAOYSA-N 301.345 -0.097 30 20 DBED C#C[C@H](NC(=O)C(=O)NC[C@@H]1CCCCCN1)[C@H]1CCCO1 911148635 YWELOHUUIQSBCX-MELADBBJSA-N 307.394 -0.068 30 20 DBED C#CCNCC(=O)NCC1(NS(C)(=O)=O)CCCCC1 912200459 LKPDQNHRLWZAFG-UHFFFAOYSA-N 301.412 -0.423 30 20 DBED O=C(NCC#CCO)NC[C@@H](O)CN1CCc2ccccc2C1 923766212 LMMAKQGSQCDRJK-MRXNPFEDSA-N 317.389 -0.300 30 20 DBED CCn1nncc1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)C#N 937100567 UEBGSKXSXTZNSH-DCAQKATOSA-N 302.338 -0.117 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](N(C)C(=O)CN2CCOCC2)C1 939397469 OXOSQWGKLRNUIX-CHWSQXEVSA-N 308.382 -0.462 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cn(C)c(=O)nc2O)C[C@@H]1C 948027743 ZCDHPEWVTPNBRU-QWRGUYRKSA-N 304.350 -0.298 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1cnn[nH]1 950755730 SLFRRTPRGYUZKS-YPMHNXCESA-N 316.365 -0.767 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@H]2COCCO2)C1 955364129 WMNHFCAAYDQYOO-HZSPNIEDSA-N 324.377 -0.338 30 20 DBED Cn1nncc1C(=O)N[C@]1(C)CCN(C(=O)C#CC2CC2)C1 956873574 BPQZQNIGCIPQDA-OAHLLOKOSA-N 301.350 -0.051 30 20 DBED C#CCCN1C[C@H](O)[C@H](CNC(=O)c2cc(OCC)n[nH]2)C1 958176673 XIBXDHSLVNNMBB-YPMHNXCESA-N 306.366 -0.146 30 20 DBED C#CCCN1C[C@H](CNC(=O)c2n[nH]c3c2CCC3)[C@@H](O)C1 958210118 HPKPSESROVZWEB-FZMZJTMJSA-N 302.378 -0.056 30 20 DBED N#CCN1C[C@H](O)[C@H](CNC(=O)c2nc[nH]c3nccc2-3)C1 958220103 SOVAVSGIFXPUSA-KOLCDFICSA-N 300.322 -0.544 30 20 DBED C#CCN1C[C@H](CNC(=O)c2cc(=O)c(OC)co2)[C@@H](O)C1 958264410 WSLYWEGBYQZWJT-JQWIXIFHSA-N 306.318 -0.696 30 20 DBED C=CCCN1C[C@@H](O)[C@@H](CNC(=O)c2ccn3nnnc3c2)C1 958319520 LOKIQIVKCSIGCW-QWHCGFSZSA-N 316.365 -0.277 30 20 DBED C=CCCN1C[C@H](CNC(=O)c2nccnc2C(N)=O)[C@@H](O)C1 958653547 MHAWARORSWGEBQ-QWRGUYRKSA-N 319.365 -0.826 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cc2cnc[nH]2)C1 958976872 AXJGXEDSPYYBOF-DLOVCJGASA-N 305.338 -0.858 30 20 DBED C=CCN1CC[C@H](C)[C@@H](NC(=O)Cn2ccc(O)nc2=O)C1 967274050 OQCJTRRWTFSVGN-RYUDHWBXSA-N 306.366 -0.039 30 20 DBED C[C@@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)[C@H]1CCC(=O)N1C)C2 969818838 UPUPHUGBMYZJMG-ZDEQEGDKSA-N 318.377 -0.031 30 20 DBED CN1C[C@@H](C(=O)N(C)C[C@@H]2CCN2C(=O)C#CC2CC2)CC1=O 977845587 PRTHLIPXFCLHDG-KBPBESRZSA-N 317.389 -0.063 30 20 DBED N#CCN1CCCC2(C1)CN(C(=O)CC[C@H]1NC(=O)NC1=O)C2 982141909 XWPNGCOMXFHGRW-LLVKDONJSA-N 319.365 -0.577 30 20 DBED C#Cc1cncc(C(=O)N(C)C[C@H]2CCN(C(=O)C(N)=O)C2)c1 988276290 PNJIFAGOZCXEAD-GFCCVEGCSA-N 314.345 -0.531 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CCCO2)C1 990168578 VGEXKWJMELTPRN-KBPBESRZSA-N 305.378 -0.410 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c1 991279363 KTXOQYNLPGISOI-MWLCHTKSSA-N 303.278 -0.508 30 20 DBED CSCC(=O)N1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H](O)C1 991400620 JHZCKNUKEBYOQJ-RYUDHWBXSA-N 322.390 -0.059 30 20 DBED C[C@H]1CCCN(C(=O)C(=O)NC2CN(C(=O)[C@H](C)C#N)C2)C1 991636818 UGPGLQMKYCDXFU-WDEREUQCSA-N 306.366 -0.268 30 20 DBED C#CCN1CC[C@]2(NC(=O)CN3CCNC(=O)C3)CCC[C@H]12 992085324 NPMPMXOUGFUEJQ-XJKSGUPXSA-N 304.394 -0.835 30 20 DBED CC#CCN1CC[C@]2(NC(=O)CN3C(=O)CNC3=O)CCC[C@H]12 992465670 DYOACZGPHDNMIZ-BLLLJJGKSA-N 318.377 -0.325 30 20 DBED C=CCn1cc(C(=O)N2CC(NC(=O)Cc3cnoc3)C2)nn1 998077441 LLZSJMRYNZEKIG-UHFFFAOYSA-N 316.321 -0.365 30 20 DBED C=CCn1cc(C(=O)N2CC(NC(=O)[C@H]3CCO[C@@H]3C)C2)nn1 998403507 IQISPVFQFPZJCE-PWSUYJOCSA-N 319.365 -0.170 30 20 DBED C[C@@H](NC(=O)[C@H]1CCC(=O)N1C)C1CN(C(=O)C#CC2CC2)C1 1006661562 KKHYSSWYYWZLNE-BXUZGUMPSA-N 317.389 -0.016 30 20 DBED O=C(C#CC1CC1)N1C[C@H]2CC[C@H]1CN2C(=O)Cn1ncnn1 1007312076 BSEAIOVHHWRJTC-QWHCGFSZSA-N 314.349 -0.712 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](NC(=O)c2ncn(C)n2)C(C)(C)C1 1008112501 PBIDSXWLJXVNDD-NXEZZACHSA-N 304.354 -0.058 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2C(CNC(=O)C3=COCCO3)[C@@H]2C1 1008742916 JXURJBJYTYGXKI-USWWRNFRSA-N 305.334 -0.145 30 20 DBED Cc1nn[nH]c1C(=O)NC[C@H]1[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]12 1009323053 LJLVETXSSDBCPK-XYYAHUGASA-N 313.361 -0.039 30 20 DBED C=CCN1CC[C@@H](N2CC[C@@H](NC(=O)Cc3ncc[nH]3)C2)C1=O 1015905706 RMUBNHPJNSDCIC-CHWSQXEVSA-N 317.393 -0.070 30 20 DBED C#Cc1ccc(C(=O)N(C)C2CC(NC(=O)C(N)=O)C2)nc1 1016810377 ZFOWXRGOFZTBPA-UHFFFAOYSA-N 300.318 -0.733 30 20 DBED C=C(C)CN[C@H]1C[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 1020661547 HLZQPIIXMROMFQ-XYPYZODXSA-N 306.366 -0.490 30 20 DBED CCN1CC[C@@H](N2CC(NC(=O)c3c[nH]c(C#N)c3)C2)C1=O 1030235007 MFLQCLPKAPOYQL-CYBMUJFWSA-N 301.350 -0.079 30 20 DBED N#Cc1cccc(CN2CC(NC(=O)Cn3cnnc3O)C2)c1 1030237866 OUQHIPHGOKOKGO-UHFFFAOYSA-N 312.333 -0.144 30 20 DBED CC#CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)CN1CCCS1(=O)=O 1037425246 JTFAXVHCDGGDFH-MBNYWOFBSA-N 311.407 -0.766 30 20 DBED CC[C@@H](C(=O)NC[C@@]1(O)CCN(C(=O)C#CC2CC2)C1)N(C)C 1040357696 BBFMISSTZZPYFW-YOEHRIQHSA-N 321.421 -0.180 30 20 DBED C[C@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)c2ccnc(O)c2)C1 1040759355 ADULTTUAYRCKGN-BMIGLBTASA-N 318.333 -0.360 30 20 DBED Cc1nc[nH]c1C(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1O 1041087401 LTHFMPGGQGWZGM-GHMZBOCLSA-N 313.321 -0.641 30 20 DBED C=C(C)CN1CC[C@]2(CCN(C(=O)CN3CCNC(=O)C3)C2)C1 1041539261 GDXRBSQMOZSEQD-KRWDZBQOSA-N 320.437 -0.081 30 20 DBED C[C@@H](OCC1CC1)C(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1041853700 GGRLTWPINNQALL-GFCCVEGCSA-N 320.389 -0.096 30 20 DBED C=CCCO[C@H](C)C(=O)NCC1(O)CN(C(=O)[C@H](C)C#N)C1 1041874027 NBUNDBKMBYJGIY-VXGBXAGGSA-N 309.366 -0.183 30 20 DBED C[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1NC(=O)Cn1nccn1 1042242613 KAOYQXLVHCRYES-GHMZBOCLSA-N 312.337 -0.419 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)[C@H](C)n2cccc2)C1 1042585967 XSKPIIFWSFBGQC-RYUDHWBXSA-N 304.350 -0.102 30 20 DBED C=CCC(C)(C)C(=O)NCC1(O)CN(C(=O)c2cnn(C)n2)C1 1043059877 NBFPKQPWMWLUAF-UHFFFAOYSA-N 321.381 -0.280 30 20 DBED C[C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1Nc1ccc(C#N)cn1 1043077428 VQLKFZJVXNTISZ-ZYHUDNBSSA-N 312.337 -0.101 30 20 DBED C=CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)c2cn(C)cn2)C1 1043571981 UIKSXUDTRWLHJD-LLVKDONJSA-N 322.365 -0.686 30 20 DBED COc1ccnc(C(=O)NCC2(O)CN(C(=O)[C@@H](C)C#N)C2)c1 1044370149 AJIRRKUHIVYHSC-JTQLQIEISA-N 318.333 -0.447 30 20 DBED CC[C@@H]1OCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@@H](C)C#N)C1 1044618513 ZRBWZGBFFPNUDC-TUAOUCFPSA-N 309.366 -0.349 30 20 DBED C=CCN1CCC2(CC1)CO[C@H](CNC(=O)c1nnn(C)n1)C2 1045677348 QCLYJQZVNDYQLT-LBPRGKRZSA-N 320.397 -0.003 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cc2ccon2)C1 1048592999 MWFKYARLECGBRN-KBPBESRZSA-N 319.361 -0.093 30 20 DBED CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H]3CN(CC#N)C[C@@H]3C2)O1 1049053822 GFCXKRCVCUDQRW-RFQIPJPRSA-N 320.393 -0.464 30 20 DBED C=CC(C)(C)C(=O)N(C)[C@H]1CN(C(=O)CC(=O)NC)C[C@@H]1O 1049169430 ZJXPMLZKBCSHCP-QWRGUYRKSA-N 311.382 -0.635 30 20 DBED C#CCN1C[C@@H]2CCCN(C(=O)CN3C(=O)CCC3=O)[C@@H]2C1 1050198766 ZRQNQCXNBVDBMY-QWHCGFSZSA-N 303.362 -0.309 30 20 DBED C#CCCN1CCC2(CC1)CN(C(=O)[C@H]1CN(C)C(=O)N1)C2 1050616164 NKKRIVHUUPGMNX-CYBMUJFWSA-N 304.394 -0.042 30 20 DBED N#Cc1cnc(N2CC[C@@H](NC(=O)C(N)=O)[C@H](O)C2)c(Cl)c1 1051768528 YPRVWRFBGYAVJR-NXEZZACHSA-N 323.740 -0.852 30 20 DBED CN1CCOC[C@H]1C(=O)N1CC[C@H](N2CCN(CC#N)CC2)C1 1052017427 ISOZNXSCBDPRBN-GJZGRUSLSA-N 321.425 -0.941 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)Cn2ncnn2)C[C@H]1C 1052660384 GVMYBXAFKHUPPG-OLZOCXBDSA-N 318.381 -0.313 30 20 DBED C#CCN1CC2(C1)CN(C(=O)[C@@H]1CCc3nn[nH]c3C1)CCO2 1053507083 BUYPWQGRJNPWLX-GFCCVEGCSA-N 315.377 -0.544 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(N)=O 1053802162 LVVRLVOYVPPHCZ-AZKPJATDSA-N 323.393 -0.315 30 20 DBED C=CCCn1cc(C(=O)N[C@@H]2COC3(C2)CN(CC#N)C3)nn1 1053951314 UWDWFSSILXCEHG-LBPRGKRZSA-N 316.365 -0.049 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)[C@@H]3CCCN3C(N)=O)CO2)C1 1054024317 LMFLWFOYGTYCTI-RYUDHWBXSA-N 306.366 -0.878 30 20 DBED N#Cc1ccc(N2C[C@H]3C(NC(=O)[C@H]4CCC(=O)N4)[C@@H]3C2)cn1 1056148237 YRHOWLVKAJOIAG-JHJVBQTASA-N 311.345 -0.217 30 20 DBED C#CCOCCC(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)C(N)=O 1056401454 GSPPPTMWLRSAIA-VXGBXAGGSA-N 307.350 -0.897 30 20 DBED Cc1ccnn1CC(=O)N1CC[C@@H](N=c2cc[nH]c(C#N)n2)C1 1056793081 SNVCCFNRNVOQQX-GFCCVEGCSA-N 311.349 -0.012 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)c1cnns1 1057090365 KGVKXZDPJRTDLB-UHFFFAOYSA-N 310.379 -0.108 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)[C@H]1CCO[C@H]1C 1057194680 LCCJXRZKTVLDBB-STQMWFEESA-N 314.382 -0.449 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)c1ccn(CC)n1 1057196861 YYEXFNAABHQLSP-UHFFFAOYSA-N 324.381 -0.344 30 20 DBED N#Cc1c[nH]c(C(=O)N(CCO)CCNC(=O)c2cnon2)c1 1057291576 JUVYWXKXPTUAKP-UHFFFAOYSA-N 318.293 -0.866 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)[C@@H]1CCNC(=O)C1 1057334483 QPQJXQVOWACRRG-GFCCVEGCSA-N 311.382 -0.584 30 20 DBED C=C[C@](C)(O)CC(=O)N(CCO)CCNC(=O)Cc1cnc[nH]1 1057451300 IQKDLDKCVRXAKY-HNNXBMFYSA-N 324.381 -0.784 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)c1cncn1C 1058029610 KIPNESWPRLAZNH-UHFFFAOYSA-N 306.366 -0.370 30 20 DBED N#Cc1ccc(N2CCC[C@H](NC(=O)[C@@H]3CNC(=O)N3)C2)nc1 1058231971 XYFGXXYFIPBANN-RYUDHWBXSA-N 314.349 -0.280 30 20 DBED C=CC(C)(C)C(=O)N(CCO)CCNC(=O)Cc1n[nH]c(C)n1 1058302226 KZAJGZWDEPLUOE-UHFFFAOYSA-N 323.397 -0.195 30 20 DBED CN1CCO[C@H](C(=O)N[C@H]2CCN(c3ccc(C#N)nn3)C2)C1 1058316769 HGIACTDXPROWCS-STQMWFEESA-N 316.365 -0.626 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)[C@@H]1CCC(=O)N1C 1058420095 BALHEBQUQOTSIP-ZDUSSCGKSA-N 323.393 -0.796 30 20 DBED CN1CC[C@@H](C(=O)N[C@H]2C[C@H](N=c3cc[nH]c(C#N)n3)C2)C1=O 1059376924 MYPKGZBKZRKPGZ-DCAQKATOSA-N 314.349 -0.692 30 20 DBED CNC(=O)NCC(=O)NCC[C@@H]1CCN(C(=O)C#CC(C)C)C1 1059613541 BPVQIBABPQUCRZ-CYBMUJFWSA-N 322.409 -0.070 30 20 DBED N#Cc1nc(=N[C@H]2C[C@@H](NC(=O)[C@]3(F)CCOC3)C2)cc[nH]1 1059796999 GKZGBWAWKNWUML-RBZYPMLTSA-N 305.313 -0.042 30 20 DBED C=CCOCC(=O)NC[C@@H]1COCCN1C(=O)c1cnc(C)[nH]1 1061424024 PFEBUERFTYFEHT-GFCCVEGCSA-N 322.365 -0.122 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1COCCN1C(=O)Cn1cncn1 1061568965 VLWPBRXJZJQUNB-CYBMUJFWSA-N 319.365 -0.719 30 20 DBED CC(C)C#CC(=O)N1CCOC[C@@H]1CNC(=O)CCCC(N)=O 1061684069 LSZXIIFYEWMGRM-ZDUSSCGKSA-N 323.393 -0.355 30 20 DBED O=C(C#CC1CC1)NCC1(NC(=O)Cn2cnnn2)CCC1 1062982479 KWJGQJQABDSPMG-UHFFFAOYSA-N 302.338 -0.758 30 20 DBED C[C@@H]1C[C@@H](N=c2cc[nH]c(C#N)n2)CCN1C(=O)c1cnn[nH]1 1064838115 VIVIKAJGLQCEGU-ZJUUUORDSA-N 312.337 -0.007 30 20 DBED C#CCCCCC(=O)N1CCO[C@H](CNC(=O)c2nc[nH]n2)C1 1065063866 ODKBRWIHBSEHIX-GFCCVEGCSA-N 319.365 -0.045 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H]1CN(C(=O)C2(C)CC2)CCO1 1065239688 XMWUVDRZULUYNP-LBPRGKRZSA-N 321.377 -0.730 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@H](NC(=O)[C@H](C)OC)CC1 1065926799 CEPLCHIZCVRPQL-STQMWFEESA-N 323.393 -0.342 30 20 DBED N#Cc1ccc(N2C[C@H](CNC(=O)c3cccnc3)[C@@H](O)C2)nn1 1067642353 BYECPSJKRDPBJZ-JSGCOSHPSA-N 324.344 -0.030 30 20 DBED N#Cc1cnccc1N1C[C@@H](O)[C@H](CNC(=O)c2cc[nH]n2)C1 1067650825 CSQVAHBNLKHUNC-BXUZGUMPSA-N 312.333 -0.097 30 20 DBED C=CCN1CCn2ncc(CNC(=O)c3cnnn3C)c2C1 1069859442 VFDDITVVRMVMLU-UHFFFAOYSA-N 301.354 -0.057 30 20 DBED N#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2cc[n+]([O-])cc2)C1 1069892865 SYVHCAIWKCZNJS-OLZOCXBDSA-N 313.321 -0.910 30 20 DBED C#CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)Cc2cc[nH]n2)C1 1069905087 DDAKFEFOPCLKCJ-KGLIPLIRSA-N 313.365 -0.391 30 20 DBED C#CCN1CC[C@@]2(C1)CN(C(=O)c1c[nH]c(=O)cn1)C[C@H](C)O2 1071201775 KSRBXZCXCQYHGZ-BLLLJJGKSA-N 316.361 -0.292 30 20 DBED C#CCCN1C[C@@H](NC(=O)CN2CCOCC2=O)CC[C@H]1C 1071574872 QPJWWILLUAZHSS-KGLIPLIRSA-N 307.394 -0.162 30 20 DBED CC(=O)N(C)CC(=O)N1C[C@H](C)[C@H](NC(=O)C#CC2CC2)C1 1071659210 UTWHUXJYVWQLRY-SMDDNHRTSA-N 305.378 -0.159 30 20 DBED C#CCN1C[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)CC[C@@H]1C 1071862009 ULCZQAKUHGIBHT-RYUDHWBXSA-N 318.377 -0.700 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CN(C(=O)c2cc[nH]c2)C[C@@H]1C 1072257537 OOQMHQVSBPLKHT-AAEUAGOBSA-N 316.361 -0.269 30 20 DBED CC1(NC(=O)C#CC2CC2)CCN(C(=O)CCNC(N)=O)CC1 1073018252 UNLPQDZLAOVUGB-UHFFFAOYSA-N 320.393 -0.045 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)c1cc(C)[nH]n1 1075778747 DVIOWAZJMKHWGD-JTQLQIEISA-N 319.365 -0.518 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)Cc1cc[nH]n1 1076012908 DOHPFLNCMWCOPV-NSHDSACASA-N 319.365 -0.897 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)C#CC(C)C 1076411327 CUQKKWRWLFFHKW-ZDUSSCGKSA-N 305.378 -0.204 30 20 DBED C#CCOCCC(=O)N[C@@H](C)CCNC(=O)c1[nH]nnc1C 1077704921 QXGLSWQXAHNZFA-JTQLQIEISA-N 307.354 -0.222 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)Cn2c(=O)oc3ccccc32)C1 1078163223 BSUSXPPKIAKWSV-ZYHUDNBSSA-N 316.317 -0.721 30 20 DBED CN1CCN(CC(=O)N2C[C@H]3CC[C@H]2[C@@H](NCC#N)C3)CC1=O 1078981086 HENHBGSSPBJOGG-IHRRRGAJSA-N 319.409 -0.747 30 20 DBED C=CCCC(=O)NC1(CO)CCN(C(=O)CNC(C)=O)CC1 1080769309 OFEJIYDLNZGUFA-UHFFFAOYSA-N 311.382 -0.442 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)CCOCC)C[C@H]1O 1081346314 GTXHNFJWXKWYBR-CHWSQXEVSA-N 314.382 -0.449 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)CCOCC)C[C@@H]1O 1081346315 GTXHNFJWXKWYBR-OLZOCXBDSA-N 314.382 -0.449 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)Cc2ccon2)C[C@@H]1O 1081441764 MJAAEWXLQUOXPW-OCCSQVGLSA-N 319.361 -0.044 30 20 DBED Cc1nonc1C(=O)NC[C@@H]1CN(C(=O)C#CC(C)C)C[C@H]1O 1081580504 PBZIIKLFLBJULV-VXGBXAGGSA-N 320.349 -0.413 30 20 DBED C=CCCN1C[C@@H](NC(=O)[C@H](C)N2C(=O)CCC2=O)[C@H](OC)C1 1081759021 KZLVMCCAARGXSX-YNEHKIRRSA-N 323.393 -0.085 30 20 DBED COCCn1ccc(C(=O)N2CCO[C@@H]3CN(CC#N)C[C@@H]32)n1 1083139158 KDFHDJWYSKVULT-UONOGXRCSA-N 319.365 -0.422 30 20 DBED Cn1ccc(CN2C[C@H](O)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)n1 1083414544 JGHLXJBRCGTPMS-KGLIPLIRSA-N 314.349 -0.405 30 20 DBED N#Cc1nc(=NCC2(CCNC(=O)c3cnn[nH]3)CC2)cc[nH]1 1090015141 SDUGBXJTZXEYBY-UHFFFAOYSA-N 312.337 -0.100 30 20 DBED C=CCn1cc(C(=O)NCC2CC(N[C@H](CC)C(N)=O)C2)nn1 1091272691 YERHRPQUDPGUHU-HTAVTVPLSA-N 320.397 -0.174 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CN(Cc3nnn(C)n3)C[C@@]2(C)C1 1091547604 NIYABXYTPGZHLB-GYSYKLTISA-N 303.370 -0.350 30 20 DBED N#Cc1nccnc1N1CCN(C(=O)C(=O)NCC(F)F)CC1 1093185250 HBISXOVPYAQPKB-UHFFFAOYSA-N 324.291 -0.622 30 20 DBED CC(=O)N(C)CC(=O)NC1[C@H]2CN(c3ccncc3C#N)C[C@H]12 1093218253 SCIFHEPLFPAEKR-STQMWFEESA-N 313.361 -0.018 30 20 DBED COCCn1cc(C(=O)NCCNc2ccc(C#N)nn2)nn1 1093893214 QFLNNGAKOYGUIH-UHFFFAOYSA-N 316.325 -0.572 30 20 DBED CS(=O)(=O)NCCC(=O)NCCNc1ccc(C#N)nc1 1094187850 OCDZYQPUGWOWEY-UHFFFAOYSA-N 311.367 -0.579 30 20 DBED COc1ccncc1CC(=O)NCCN=c1cc[nH]c(C#N)n1 1094226511 UMIMXNBGOPAGOJ-UHFFFAOYSA-N 312.333 -0.055 30 20 DBED Cn1nccc1[C@@H]1C[C@H]1C(=O)NCCN=c1cc[nH]c(C#N)n1 1094281493 JBPDUBFHMCNKAY-GHMZBOCLSA-N 311.349 -0.165 30 20 DBED CC#CCN1CC(n2cc(CNC(=O)c3ncccn3)nn2)C1 1094330855 SZQJVEPZFNEWSY-UHFFFAOYSA-N 311.349 -0.122 30 20 DBED N#Cc1nccnc1NCCCNC(=O)[C@@H]1CC[C@H]1C(N)=O 1094703925 RTRJBGLABAMCMU-NXEZZACHSA-N 302.338 -0.222 30 20 DBED N#CCN1CC(N2C[C@H](NC(=O)Cc3cccnc3)CC2=O)C1 1094727435 LYAZMMIABGBKPQ-CYBMUJFWSA-N 313.361 -0.451 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)CN3CCC[C@@H]3C)CC2=O)C1 1094783656 UQPAWCWHQSYTPB-KBPBESRZSA-N 318.421 -0.495 30 20 DBED CC(=O)NCC(=O)NCCCN(C)c1nc(C)cc(C#N)n1 1095460518 PRRDUWIZTZUSOE-UHFFFAOYSA-N 304.354 -0.265 30 20 DBED CCN(CCCNC(=O)CCNC(N)=O)c1ccnc(C#N)n1 1095881963 YVWVBUILIWGWAR-UHFFFAOYSA-N 319.369 -0.261 30 20 DBED COC[C@@H](OC)C(=O)NC[C@@H](N=c1cc[nH]c(C#N)n1)C1CC1 1096811536 QBQPIKHWZSQRJB-VXGBXAGGSA-N 319.365 -0.262 30 20 DBED N#Cc1nc(=N[C@H]2C[C@H](NC(=O)CCc3cnn[nH]3)C2)cc[nH]1 1097102719 AKOBECVRSZDSMN-XYPYZODXSA-N 312.337 -0.420 30 20 DBED CC(=O)NCC(=O)NC1CCC(N=c2cc[nH]c(C#N)n2)CC1 1097609196 UFLDIRBPLHBDCZ-UHFFFAOYSA-N 316.365 -0.254 30 20 DBED CC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1CCNC(=O)C1 1097642624 JOGQLDRHDRBRCA-MCIONIFRSA-N 304.394 -0.837 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)Nc1cncc(C#N)n1 1098213249 DTFCDAKNTBEFBB-WPRPVWTQSA-N 303.326 -0.712 30 20 DBED C[C@H]1C[C@H](C(=O)N2CCC(N(CC#N)CCO)CC2)CC(=O)N1 1098414910 KWHXMLWNFFNUBB-STQMWFEESA-N 322.409 -0.290 30 20 DBED CCn1cc(CC(=O)N2CCC(N(CC#N)CCO)CC2)nn1 1098439222 ZTZBPMIUMJUACO-UHFFFAOYSA-N 320.397 -0.351 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H]1CCC[C@@H](NC(=O)CNC(N)=O)C1 1098590674 VGQZERPCOIECHZ-VXGBXAGGSA-N 316.365 -0.117 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)c2ncoc2C)[C@H](O)C1 1099709240 DSXIFCRLNWUOHA-VXGBXAGGSA-N 322.365 -0.550 30 20 DBED CC(C)C#CC(=O)N[C@H]1CCN(Cc2cn(C)nn2)C[C@H]1O 1099821674 WVPADZBIFVTASY-UONOGXRCSA-N 305.382 -0.474 30 20 DBED CCC1(C(=O)N[C@H]2CCN(CC(=O)NCC#N)C[C@H]2O)CCC1 1099963978 DOJTZLWTZMPKMX-QWHCGFSZSA-N 322.409 -0.242 30 20 DBED CC#CCN1CC[C@H](NC(=O)CCCS(C)(=O)=O)[C@@H](O)C1 1100032655 ZFQPMDBREDVXBW-STQMWFEESA-N 316.423 -0.614 30 20 DBED C#CCCN1CC[C@H](NC(=O)CCC(=O)NCCC)[C@@H](O)C1 1100079372 YFODOSIDHIPGLA-KBPBESRZSA-N 309.410 -0.133 30 20 DBED COCC#CCNC1CC(CNC(=O)CO[C@H]2CCOC2)C1 1100327365 CSPOBFBFATWVCG-NRXISQOPSA-N 310.394 -0.074 30 20 DBED CCN(CCNC(=O)[C@H]1CC[C@@H]1C(N)=O)c1ccc(C#N)nn1 1100694566 DDURNCAPLHCXMI-RYUDHWBXSA-N 316.365 -0.198 30 20 DBED COCC[C@H](C)C(=O)NCC1CC(NCC(=O)NCC#N)C1 1101002512 BTDLHWYVWISYQJ-HIFPTAJRSA-N 310.398 -0.217 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1CNC(=O)CN1C(=O)CC(C)(C)C1=O 1101978370 SGMLOQNKRDULGQ-VXGBXAGGSA-N 320.393 -0.021 30 20 DBED C=CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)c2[nH]nnc2C)C1 1102211944 GJRSVKAAQPIVPM-ZYHUDNBSSA-N 320.397 -0.287 30 20 DBED COCCC(=O)N1C[C@@H](C)[C@H](CCNCC(=O)NCC#N)C1 1103801539 NSCMQQSCSXNRRE-CHWSQXEVSA-N 310.398 -0.263 30 20 DBED C[C@H](CNC(=O)c1cnn(C)n1)CNc1cncc(C#N)n1 1104019424 XSTGMROGJDJBOM-VIFPVBQESA-N 300.326 -0.045 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)C[C@@H]1COC(=O)C1 1104527277 ZRSBCWVMDMJZNV-MNOVXSKESA-N 317.349 -0.018 30 20 DBED C[C@@H](CNc1ccc(C#N)nn1)N(C)C(=O)[C@H]1COC(=O)N1 1104546081 XHSKQLSMNFFXLH-WCBMZHEXSA-N 304.310 -0.285 30 20 DBED C#CCNCC[C@@H]1CN(C(=O)[C@@H]2CN(C(C)=O)CCO2)C[C@H]1C 1104967515 SIDCFNAJTIBFTJ-BMFZPTHFSA-N 321.421 -0.059 30 20 DBED C=CCO[C@H](C)C(=O)N1CC(n2cc(CNC[C@@H](C)O)nn2)C1 1105381153 QAXWEBWTRGOABY-VXGBXAGGSA-N 323.397 -0.277 30 20 DBED N#Cc1nccnc1NC[C@H](O)CNC(=O)C1=COCCO1 1105715099 LRNKZFRRMAVDCU-VIFPVBQESA-N 305.294 -0.875 30 20 DBED N#Cc1cncc(NC[C@H](O)CNC(=O)c2ncccc2O)n1 1105802859 SSVVSKNOVGXGTA-JTQLQIEISA-N 314.305 -0.348 30 20 DBED N#Cc1nc(=NC[C@H](O)CNC(=O)C2[C@H]3CCC[C@H]23)cc[nH]1 1105807827 GOEWFGBTXMBEBR-DCAQKATOSA-N 301.350 -0.295 30 20 DBED N#Cc1cnc(NC[C@@H](O)CNC(=O)c2c[nH]c(C#N)c2)cn1 1105830534 FVCJYNMKWDMGIL-GFCCVEGCSA-N 311.305 -0.249 30 20 DBED Cc1cc(C#N)nc(NC[C@H](O)CNC(=O)[C@H](O)C(C)C)n1 1105839590 ZCOOLVLHZRJVBU-VXGBXAGGSA-N 307.354 -0.437 30 20 DBED CN(C)CCCCC(=O)NC[C@@H](O)CNc1nccnc1C#N 1105908409 PDQWYVLRDBUVKI-GFCCVEGCSA-N 320.397 -0.031 30 20 DBED CN1CCCC[C@H]1C(=O)NC[C@@H](O)CNc1ccc(C#N)nn1 1106060291 RSXJQRAGFUXJHS-STQMWFEESA-N 318.381 -0.278 30 20 DBED C[C@H]1CCCN1CC(=O)NC[C@@H](O)CN=c1cc[nH]cc1C#N 1106108871 QXDWLZGZWUBWAS-JSGCOSHPSA-N 317.393 -0.252 30 20 DBED CCN(CC)CC(=O)N1C[C@@H](C)[C@H](CNCC(=O)NCC#N)C1 1106779953 ZMEBSXLQRVUKRR-ZIAGYGMSSA-N 323.441 -0.348 30 20 DBED C=CCCN1CC(n2cc(CNC(=O)[C@@H](C)CC(N)=O)nn2)C1 1107191219 PRSMOWFOZAQXJX-NSHDSACASA-N 320.397 -0.161 30 20 DBED CC#CCN1CCO[C@@](C)(CNC(=O)CN2CCCNC2=O)C1 1108049595 MXHGAYJTCXDHAY-INIZCTEOSA-N 322.409 -0.368 30 20 DBED C=CCN1CCO[C@@](C)(CNC(=O)c2cnc(O)n(C)c2=O)C1 1108113317 JKPGNXFRVNUDOO-HNNXBMFYSA-N 322.365 -0.507 30 20 DBED COCC#CCN1CCO[C@@](C)(CNC(=O)CCN(C)C)C1 1108182589 LSEKMIFKBVACJP-INIZCTEOSA-N 311.426 -0.205 30 20 DBED C[C@@H](CNc1cnc(C#N)cn1)NC(=O)CNC(=O)C1CC1 1108264274 CKOJLNPJXLLUJW-VIFPVBQESA-N 302.338 -0.209 30 20 DBED CNC(=O)NCCC(=O)N[C@@H](C)CN=c1cc(C)[nH]cc1C#N 1108362395 KAHQKIBBZJLJCP-NSHDSACASA-N 318.381 -0.081 30 20 DBED CCCN(C)CCC(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1 1108587699 UZDMTNXVRQGVAL-CYBMUJFWSA-N 321.425 -0.357 30 20 DBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CNC(C)=O 1108864845 UZXMYLIUNPCVMV-AGIUHOORSA-N 308.382 -0.854 30 20 DBED Cn1nnc(C(=O)N[C@H](CNc2cncc(C#N)n2)C2CC2)n1 1109967171 OVEDBYKOBAXOFQ-SNVBAGLBSA-N 313.325 -0.508 30 20 DBED CCC(=O)NCC(=O)NCC1(Nc2cnc(C#N)cn2)CC1 1110086962 XATBETXFNDSSDK-UHFFFAOYSA-N 302.338 -0.065 30 20 DBED C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2[C@H]1CCC(=O)NC1=O 1110388588 DCXDEKOFQMXFIG-NDBYEHHHSA-N 321.377 -0.284 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C1(COC)CC1 1110807310 LYYLYOLPBWFKNK-MCIONIFRSA-N 319.405 -0.116 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)CSCC#N)CC1 1112630278 TVTOIZWPLXNFNA-GFCCVEGCSA-N 308.407 -0.475 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)Cc2ccon2)CC1 1112734915 PSTKEQPSZKYSEO-LBPRGKRZSA-N 304.350 -0.501 30 20 DBED C#CCNC(=O)CC(=O)N1CCN(Cc2cc(C)ncn2)CC1 1112777776 MFUUARYDBFZSNO-UHFFFAOYSA-N 315.377 -0.431 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCN(CCNC(=O)C2CC2)CC1 1112814956 ZGTDTZKKXIEXER-INIZCTEOSA-N 309.410 -0.016 30 20 DBED C=CCNC(=O)NC(=O)CN1CCN(C(=O)C#CC(C)C)CC1 1112832190 KPPYHSFHFYBKNU-UHFFFAOYSA-N 320.393 -0.198 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)c2ccc(C)nn2)CC1 1112835960 VSPDLSBLRQRAKI-CYBMUJFWSA-N 315.377 -0.319 30 20 DBED C[C@H](N=c1cc[nH]cc1C#N)[C@@H](C)NC(=O)CCn1cnnn1 1113124204 KDTPHNJQEZBPFG-WDEREUQCSA-N 314.353 -0.243 30 20 DBED CNC(=O)NCC(=O)N[C@H](C)[C@@H](C)N=c1cc[nH]cc1C#N 1113349159 CLUZHNYHJRDYKG-NXEZZACHSA-N 304.354 -0.391 30 20 DBED N#CCNC(=O)CN1C[C@H]2C(NC(=O)C[C@H]3CCCO3)[C@@H]2C1 1113926228 XLAKDPCHBNRWQW-IJLUTSLNSA-N 306.366 -0.758 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)C[C@@](C)(O)C=C)[C@H]2C1 1114192097 PWTHSSBBXBKWRN-OJDYBEQGSA-N 307.394 -0.338 30 20 DBED N#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)CCc3ncc[nH]3)[C@H]2C1 1114206222 HJYHOXNXOZAKMH-HBYGRHMLSA-N 316.365 -0.972 30 20 DBED Cc1cc(N2C[C@H]3[C@H](CNC(=O)CC(N)=O)[C@H]3C2)c(C#N)cn1 1114546933 MSBHOCSFQXWXAW-XYYAHUGASA-N 313.361 -0.065 30 20 DBED C=CCOCCN1C[C@H]2[C@H](NC(=O)C[C@@H]3CC(=O)NC3=O)[C@H]2C1 1115360843 ORSMKBLWSKMXJJ-FJJYHAOUSA-N 321.377 -0.712 30 20 DBED COc1ncc(NC(=O)C(=O)N(C)C[C@@H](C)C#N)cc1C(N)=O 1116702751 CPEJUCPKDVKURD-QMMMGPOBSA-N 319.321 -0.254 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCC(O)(C(F)F)CC1 1117437301 YFVJNOCJZXTWKM-UHFFFAOYSA-N 304.293 -0.629 30 20 DBED C#CCOCCNC(=O)C(=O)N[C@@H]1CCO[C@]2(CCOC2)C1 1117526178 LNNIAFXCWKSELO-IUODEOHRSA-N 310.350 -0.793 30 20 DBED C=C[C@H](COC)NC(=O)N(C)[C@@H]1CCN(S(C)(=O)=O)C1 1117714390 ZEWKGNDGKQAFCN-GHMZBOCLSA-N 305.400 -0.137 30 20 DBED C=CCN(CCNS(=O)(=O)c1cnn(C)c1)CC(=O)O 1118318990 GGICORBBZLPXDV-UHFFFAOYSA-N 302.356 -0.729 30 20 DBED C=C(C)C[C@@H](NC(=O)[C@H](C)N1CCNCC1=O)C(=O)OCC 1119309091 VATPKBYHTLNWJU-NWDGAFQWSA-N 311.382 -0.179 30 20 DBED Cc1cc(C#N)nc(N[C@H](CO)CNC(=O)[C@H]2CCOC2)n1 1121171698 JWRSJONDKMOVBU-JQWIXIFHSA-N 305.338 -0.418 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](CO)N=c1ccc2ncc[nH]c-2n1 1121214115 WVQFSFVUBSQFKM-ZJUUUORDSA-N 300.322 -0.553 30 20 DBED C#CCCNC1CC2(C1)CC(NC(=O)C[C@@H]1NC(=O)NC1=O)C2 1121251309 RFTOIHFTICARLE-VDOARHDCSA-N 318.377 -0.375 30 20 DBED N#Cc1c(Cl)nsc1N[C@@H](CO)CNC(=O)CC(N)=O 1121258881 YZSASADHWPSIFO-RXMQYKEDSA-N 317.758 -0.567 30 20 DBED C=CCn1c(C[C@@H](C)O)nnc1N1CCN2C(=O)NC[C@@H]2C1 1121527002 JSYRBPLJDCXLOQ-GHMZBOCLSA-N 306.370 -0.399 30 20 DBED CN(C)[C@H](C(=O)NC[C@H](CO)Nc1nccnc1C#N)C1CC1 1122152944 LTJJCUOTFSMXBK-YPMHNXCESA-N 318.381 -0.423 30 20 DBED CNC(=O)NCC(=O)NC[C@@H](CO)Nc1ccc(C#N)c(C)n1 1122782803 DVDGQAKQZLZPPO-NSHDSACASA-N 320.353 -0.920 30 20 DBED C=CCOCC(=O)NCCN[C@H](C)C(=O)NC[C@@H]1CCCO1 1124772849 KKPBPQDYFMGLTD-OLZOCXBDSA-N 313.398 -0.422 30 20 DBED COCCN(CCNC(=O)CC(N)=O)c1ccncc1C#N 1126255414 VDMFTKSVXBEVKV-UHFFFAOYSA-N 305.338 -0.602 30 20 DBED CN(C(=O)CNC(N)=O)C1CC(N=c2cc[nH]cc2C#N)C1 1126846546 BLNNISFTIOVXOJ-UHFFFAOYSA-N 302.338 -0.555 30 20 DBED C=CCOCCN[C@@H]1CN(C(=O)COCC)C[C@@H]1n1ccnn1 1129564164 BEURCYJIVZXUQZ-KGLIPLIRSA-N 323.397 -0.141 30 20 DBED C#CCN1CC[C@]2(C1)CN(C(=O)CCNC(N)=O)C[C@@H](C)O2 1131697241 IGCLCNMEGCPQAO-DOMZBBRYSA-N 308.382 -0.630 30 20 DBED C=CCNC[C@@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)CC[C@@H]1C 1132844029 URKDQBSNWNZWFD-NWDGAFQWSA-N 320.397 -0.363 30 20 DBED C=CCn1cc(C(=O)NCCNCC(=O)N2CCCCC2)nn1 1134981333 YFKHPXFSAZHTTC-UHFFFAOYSA-N 320.397 -0.204 30 20 DBED CCCN(C)CC(=O)N[C@H](C)C[C@@H](C)NCC(=O)NCC#N 1135975806 COQDAEXVUTUQLR-CHWSQXEVSA-N 311.430 -0.159 30 20 DBED C#Cc1ccc(C(=O)NCCNC[C@H]2CCS(=O)(=O)C2)cn1 1148382743 CYWGYGMQLOLNOI-GFCCVEGCSA-N 321.402 -0.183 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CN(Cc2nc(O)n[nH]2)CCCO1 1149408963 SHOVWWFQDGZUOQ-ZJUUUORDSA-N 308.342 -0.623 30 20 DBED CC(=O)N[C@@H](C(=O)NC[C@H]1CN(CC#N)CCCO1)C(C)C 1150606790 KLEQFSDGKHMNPM-UONOGXRCSA-N 310.398 -0.122 30 20 DBED N#CCNC(=O)CNCCNC(=O)Cc1csc2nccn12 1151179150 PHKOSQYDPDJTCZ-UHFFFAOYSA-N 320.378 -0.716 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@H](C)c1cnn(C)c1 1154005744 CEVBDRLBXMJNEG-VXGBXAGGSA-N 305.382 -0.633 30 20 DBED NC(=O)NCC(=O)NCCCNCC#Cc1ccc(F)cc1 1154457845 PPEHCHSLXMBNMS-UHFFFAOYSA-N 306.341 -0.059 30 20 DBED N#CCNC(=O)CNCCCNC(=O)CCOCC(F)F 1158144204 LFGGBZNGPNAGPN-UHFFFAOYSA-N 306.313 -0.606 30 20 DBED C#CCNC(=O)CNCCCNC(=O)CCOCC(F)(F)F 1161605828 BVUUXQRZOJJKBA-UHFFFAOYSA-N 323.315 -0.199 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)c1ncc(OC)cn1 1162224114 SERFPFJCRCHETI-NSHDSACASA-N 321.381 -0.115 30 20 DBED C#CCNC(=O)CNCCCNC(=O)C1(CF)CCOCC1 1166686733 FTVPFFJOPQCJCM-UHFFFAOYSA-N 313.373 -0.402 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@@H]1Cc2ccncc2C1 1166722687 UZPMHEZYVISBFG-CQSZACIVSA-N 314.389 -0.358 30 20 DBED C=CCN(CC=C)C(=O)CNCCCNC(=O)c1cnon1 1168892136 LZENHXFYQWQENK-UHFFFAOYSA-N 307.354 -0.020 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)C12CCN(CC1)C2 1171303626 ULGRFMCLWPFDBM-CYBMUJFWSA-N 306.410 -0.684 30 20 DBED Cn1c(=O)ccn(CC(=O)NCCCCCCNCC#N)c1=O 1178633607 APCXIIGJCUFLQE-UHFFFAOYSA-N 321.381 -0.663 30 20 DBED C=C(C)CN(CC)C(=O)CN[C@H]1CCN(C(=O)C(N)=O)[C@H]1C 1179446473 PDQKMNYXOLYVSK-RYUDHWBXSA-N 310.398 -0.525 30 20 DBED C=CCN[C@H]1CCN(C(=O)CNC(=O)Cn2cncn2)[C@H]1C 1180203932 CKCWJUOEPJJBFS-RYUDHWBXSA-N 306.370 -0.841 30 20 DBED CCN(CCC#N)C(=O)CN[C@@H]1CCN(C(=O)CNC(C)=O)C1 1180707538 NQISLKQGWJFJLI-CYBMUJFWSA-N 323.397 -0.925 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](NC[C@H]2CCc3ncnn32)C1 1182514817 UIBJOWIQJSUAFX-ZIAGYGMSSA-N 317.393 -0.004 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2cnc(O)cc2C)C1 1185586137 FDEYODHFAZYMNG-GFCCVEGCSA-N 316.361 -0.351 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@@H](NCCOCCO)C2)cn1 1187208559 PGKNWMUVJLRVNQ-OAHLLOKOSA-N 303.362 -0.124 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2cc(C)[nH]n2)C1 1189105239 PVPYIIKWFZOAGQ-LBPRGKRZSA-N 303.366 -0.386 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)Cc2cc(C)[nH]n2)C1 1189611229 KMGWALIIEMRYQN-CQSZACIVSA-N 317.393 -0.457 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C2[C@@H]3CCC[C@@H]23)C1 1192037037 DQZGVWXKDNMHCQ-FDYHWXHSSA-N 307.394 -0.504 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2cn(C)c(O)n2)C1 1192152440 HHESQEDLWLNIJA-NSHDSACASA-N 321.381 -0.426 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2[nH]c(C)cc2C)C1 1194126582 FKZSRQMTFCGQPE-CHWSQXEVSA-N 320.393 -0.291 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)CN2CCOCC2)C1 1198699865 YWQHDMZFWFKEHN-RRFJBIMHSA-N 309.410 -0.861 30 20 DBED CN(C)[C@H](C(=O)N[C@@H]1CN(CC#N)C[C@H]1O)c1ccccc1 1199104506 NRUVAHLEVODNAS-KFWWJZLASA-N 302.378 -0.026 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)[C@@H]2CCCO2)CCCO1 1199762676 OEQZDFGDJSVGBL-KGLIPLIRSA-N 323.393 -0.878 30 20 DBED N#CCNC(=O)CNC1CCN(C(=O)c2cccc(O)n2)CC1 1199960636 IDAALWFPGZWVIP-UHFFFAOYSA-N 317.349 -0.379 30 20 DBED C=CCNC[C@@H]1CN(C(=O)c2nccnc2C(N)=O)CCCO1 1202022221 UCWVWQQLSKBFIA-LLVKDONJSA-N 319.365 -0.418 30 20 DBED N#CCNC(=O)CN[C@@H]1C[C@H](NC(=O)c2ncc[nH]2)C12CCC2 1202855479 HTVHCHYZWCSOAX-MNOVXSKESA-N 316.365 -0.320 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)[C@H]2OCC[C@H]2C)CC1 1206313386 NKVDYXXRCKESJL-CJNGLKHVSA-N 321.421 -0.011 30 20 DBED COCC#CCN1C[C@@H](NC(=O)CN2CCOCC2)[C@H](C)C1 1206880928 JMFPZUFGONTDGV-HUUCEWRRSA-N 309.410 -0.595 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)CC(C)(C)O)C1 1207924869 SQFAKSNJRSXQES-CHWSQXEVSA-N 309.410 -0.134 30 20 DBED C[C@@H]1CN(C(=O)C[C@H]2CCCO2)C[C@H]1NCC(=O)NCC#N 1214193045 CSEFJQXSGRQWDK-JHJVBQTASA-N 308.382 -0.368 30 20 DBED COC[C@H](O)CN[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C 1214450252 RNMNPLSPZPEZQZ-MPKXVKKWSA-N 306.366 -0.056 30 20 DBED Cc1c[nH]nc1C(=O)N1C[C@@H](NCC(=O)NCC#N)[C@H](C)C1 1214573626 GYNDVKHTYXWTIX-GHMZBOCLSA-N 304.354 -0.592 30 20 DBED C#CCCCCC(=O)N1CCO[C@@H]2CN([C@H](C)C(N)=O)C[C@@H]21 1217670190 VLBWVTAVEIBGBH-HZSPNIEDSA-N 307.394 -0.035 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2cccs2)C1 1219119436 YUCIXBMXORCYGL-MNOVXSKESA-N 307.375 -0.728 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)[C@@H](C)CSC)C1 1219369109 SLOKTHDUSWKTGZ-XQQFMLRXSA-N 300.424 -0.203 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@H](CC)SC)C1 1219472910 SQNCSISNJKATDG-WOPDTQHZSA-N 315.439 -0.409 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN([C@H]2CCCN(C)C2=O)C[C@@H]1O 1219583903 PHMIXBGLKNGVBA-RDBSUJKOSA-N 307.394 -0.572 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN([C@@H](C)C(=O)NC2CC2)C[C@@H]1O 1219588737 JGJCTWZNDMSALA-YUTCNCBUSA-N 307.394 -0.526 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)CCNC(=O)COC)C1 1219742861 RMNZKVTZHOUPLV-MNOVXSKESA-N 319.789 -0.947 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)[C@@H](NC(N)=O)C(C)(C)C)C1 1220761758 BVTAXJKKEVXBQS-GRYCIOLGSA-N 312.414 -0.193 30 20 DBED COCC#CCN1CCC(CNC(=O)[C@H]2CCC(=O)N2)CC1 1222613386 ZCIXFIWOXPPSDF-CQSZACIVSA-N 307.394 -0.257 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)[C@@H](C)n2cncn2)CC1 1226907230 VZUCHQHPMPNNSR-GFCCVEGCSA-N 320.397 -0.278 30 20 DBED N#CCNC(=O)CN1CCC(NC(=O)Cc2cscn2)CC1 1229486477 SXCSROFEUNTMSC-UHFFFAOYSA-N 321.406 -0.094 30 20 DBED N#CCN1CCS(=O)(=O)[C@H](CCNC(=O)[C@@H]2CC23CC3)C1 1230502947 SWJIBDVWIQVWLS-NEPJUHHUSA-N 311.407 -0.085 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@H]1CN(C)C(=O)c1ccnn1C 1231103058 NEIWEMFHIZCUAG-OLZOCXBDSA-N 317.393 -0.296 30 20 DBED CN(C[C@H]1CCN1CC(=O)NCC#N)C(=O)C[C@@](C)(O)C1CC1 1233794526 XQPSIZNDOADNOR-CZUORRHYSA-N 322.409 -0.290 30 20 DBED C=CCNC(=O)[C@H](C)N1CC[C@H]1CN(C)C(=O)c1cn(C)nn1 1234051849 XAIHKGMYVSMAMK-RYUDHWBXSA-N 320.397 -0.348 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C[C@@H]1CCN1CC(=O)N1CCC1 1234215151 JEJBFEIWPDODAH-KGLIPLIRSA-N 307.394 -0.210 30 20 DBED N#CCNC(=O)CNC(=O)N(CCCO)Cc1ccccn1 1261100286 MREGSJKVXRIZSC-UHFFFAOYSA-N 305.338 -0.385 30 20 DBED C#CCOCCN(C)[C@@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 1319772720 CLYQPQNFRZLHCT-STQMWFEESA-N 316.423 -0.398 30 20 DBED N#CC1CCN(C(=O)C(=O)N[C@H]2CCCS(=O)(=O)C2)CC1 1323431359 BBUKFNDIAPARJV-NSHDSACASA-N 313.379 -0.558 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N1CC[C@@H]2COC(=O)N[C@H]2C1 1326150720 SDAXDBBRLJRJNW-VWYCJHECSA-N 311.338 -0.740 30 20 DBED C[C@@H](O)C[C@H]1CCCN1C(=O)C(=O)NC1CCN(CC#N)CC1 1328685029 LVUSPJUFNZJHDO-TZMCWYRMSA-N 322.409 -0.148 30 20 DBED N#CCN1CCC(NC(=O)C(=O)NCc2ncccc2F)CC1 1328685533 WBXFWLQDAAKCPU-UHFFFAOYSA-N 319.340 -0.059 30 20 DBED CON1CCN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)CC1 1329326337 ULTLHWKIICTLJR-BUHFOSPRSA-N 308.338 -0.392 30 20 DBED COC[C@H](CCO)NC(=O)C(=O)Nc1cc(C)c(C#N)cn1 1332890865 AXJSBDXLKVAUSW-NSHDSACASA-N 306.322 -0.286 30 20 DBED C[C@H](NC(=O)C(=O)N1CCC[C@@H](C#N)C1)[C@H]1CN(C)CCO1 1333530842 ZWKNUDRFSWZJIB-RWMBFGLXSA-N 308.382 -0.416 30 20 DBED C=CCn1c(O)nnc1S(=O)(=O)CC(=O)NCCCOC 1340740559 GAFSJSZHDGXUCJ-UHFFFAOYSA-N 318.355 -0.904 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)CN2CCC(=O)NC2=O)C1=O 1344547589 BTQPKPPBFVBILR-JTQLQIEISA-N 308.338 -0.826 30 20 DBED CC(C)(CNC(=O)C(=O)NCCCCC#N)S(C)(=O)=O 1346998678 CLAMYPWJMVAGPR-UHFFFAOYSA-N 303.384 -0.264 30 20 DBED C[C@H](C#N)CN(C)C(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1348615870 FBBWGZKTLNQLRZ-YPMHNXCESA-N 303.366 -0.197 30 20 DBED NC(=O)CN1CCC[C@@H](NC(=O)c2cccc(C#CCO)c2)C1 1353888341 UXGVAYXRLMMGRJ-OAHLLOKOSA-N 315.373 -0.290 30 20 DBED C[C@H]1C(=O)CC[C@@H]1CC(=O)NCCn1cc(C#N)c(O)nc1=O 1362691656 ZEEWHILOAVXNCJ-NXEZZACHSA-N 318.333 -0.058 30 20 DBED Cc1c[nH]c(CNc2[nH]c(=O)n(C)c(=O)c2C#N)c(C)c1=O 1364587933 MMBFFMNQUIYLLE-UHFFFAOYSA-N 301.306 -0.137 30 20 DBED C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)[C@@H](C)n1cncn1 1372823015 IHWXIKOZGUKQJZ-VHSXEESVSA-N 315.337 -0.026 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](NC(=O)CS(C)(=O)=O)C(C)(C)C 1384337552 UASOZJZKKDUMNO-NXEZZACHSA-N 317.411 -0.162 30 20 DBED CC(C)[C@@H](O)C(=O)NC[C@H](O)CNC(=O)c1cc(C#N)c[nH]1 1389082362 HWEPGYWELYRCGQ-ZYHUDNBSSA-N 308.338 -0.890 30 20 DBED C[C@@H](C#N)C(=O)N1CC(CNC(=O)CNC(=O)N2CCCC2)C1 1389689001 YJAARELDGALLJH-NSHDSACASA-N 321.381 -0.474 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCN1CCN(Cc2cnnn2C)CC1 1391338372 QLJSMMJSEKQMKZ-ZDUSSCGKSA-N 319.413 -0.449 30 20 DBED C=C(Br)CN1CC(NC(=O)CCn2cnnn2)C1 1391455268 VHQXVIWWWZSWBW-UHFFFAOYSA-N 315.175 -0.228 30 20 DBED CC(=O)N(C)CC(=O)N[C@H](C)CCNC(=O)c1cc(C#N)c[nH]1 1397758728 XLBPLHWMCHOHFG-SNVBAGLBSA-N 319.365 -0.011 30 20 DBED C[C@H](CNC(=O)c1cc(C#N)c[nH]1)N(C)Cc1nc(=O)n(C)[nH]1 1403120222 SHYYRRFZGBGRSB-SECBINFHSA-N 317.353 -0.442 30 20 DBED CC(C)O[C@H]1C[C@@H](NC(=O)Cn2cc(C#N)c(O)nc2=O)C1 1412223255 ZTVMJHGOGIESIE-PHIMTYICSA-N 306.322 -0.107 30 20 DBED CC(=O)N(C)CC(=O)N[C@@H](C)CN(C)C(=O)c1cc(C#N)c[nH]1 1427518674 MASXRWMCOSOQSM-JTQLQIEISA-N 319.365 -0.059 30 20 DBED C[C@@H](C#N)C(=O)N(C)C[C@@H]1CCN(C(=O)Cn2cnnn2)C1 1430070089 KMSYOBMRLCHSIK-QWRGUYRKSA-N 305.342 -0.860 30 20 DBED C=C(Cl)CN1CCOC[C@@H]1CNC(=O)CNC(=O)NC 1447162448 YDDOTTVBUZCDNL-JTQLQIEISA-N 304.778 -0.515 30 20 DBED CO[C@H](C(=O)NC[C@@H](O)CNC(=O)c1cc(C#N)c[nH]1)C1CC1 1452321856 DCZNIVNIZFPCLO-AAEUAGOBSA-N 320.349 -0.482 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1ccn(C(F)F)n1 1458003804 QFOVDXAOXRPKGI-YUMQZZPRSA-N 315.280 -0.355 30 20 DBED C[C@@H](C(=O)NCc1nc([C@@H]2CCCO2)n[nH]1)n1cnc(C#N)n1 1469517987 JTKAFIKHMRNTQD-IUCAKERBSA-N 316.325 -0.003 30 20 DBED CNC(=O)NCCC(=O)N(C)C[C@@H]1CCN1C(=O)[C@@H](C)C#N 1489738146 FOCGGJKXYUHREC-QWRGUYRKSA-N 309.370 -0.476 30 20 DBED CCc1cc(C(=O)N[C@H]2CCN(CC(=O)NCC#N)C2)nn1C 1490582265 NXKMKOWLGGIJCF-NSHDSACASA-N 318.381 -0.574 30 20 DBED COC(=O)NCC(=O)N(C)CCN(C)C(=O)c1cc(C#N)c[nH]1 1501048643 ODIPMWPYLAXFEA-UHFFFAOYSA-N 321.337 -0.227 30 20 DBED CN(C)C(=O)[C@@H]1CCCN1c1cnc(C#N)c(-c2nn[nH]n2)n1 1578960115 IAEBIXKGKADMCN-VIFPVBQESA-N 313.325 -0.415 30 20 DBED CN1CC[C@@H](CNc2cnc(C#N)c(-c3nn[nH]n3)n2)CC1=O 1579347537 IGXBDTCUEKNVLX-MRVPVSSYSA-N 313.325 -0.191 30 20 DBED COC[C@H]1CN(c2cnc(C#N)c(-c3nn[nH]n3)n2)C[C@H](C)O1 1579746575 AHZABLJEFHREEX-DTWKUNHWSA-N 316.325 -0.232 30 20 DBED N#CCC(=O)N1CCN([C@H]2CCN(CCC(=O)O)C2=O)CC1 1601061018 PPYAVTUCVOREDB-NSHDSACASA-N 308.338 -0.880 30 20 DBED N#Cc1ncn(CC(=O)N(CCC(=O)O)C2CCOCC2)n1 1601134956 DOOAQFBCODAUOP-UHFFFAOYSA-N 307.310 -0.368 30 20 DBED C[C@@H]1C[C@@H](C(=O)O)CN(C(=O)NCCn2cnc(C#N)n2)C1 1603362836 MMEMWKVKAHOFKH-NXEZZACHSA-N 306.326 -0.098 30 20 DBED C[C@@H]1CN(S(=O)(=O)N2CCO[C@H](C#N)C2)CC[C@H]1C(=O)O 1603463407 BABOWQOZJLXGQI-GMTAPVOTSA-N 317.367 -0.502 30 20 DBED COC(=O)COCC(=O)Nc1ccc(C#N)c(-c2nn[nH]n2)c1 1604941284 VTGCCWIXAOHILO-UHFFFAOYSA-N 316.277 -0.134 30 20 DBED N#Cc1cccc(-c2nn[nH]n2)c1N1CC2(C1)NC(=O)NC2=O 1606380643 BJHXFTMSJUXVEA-UHFFFAOYSA-N 310.277 -0.863 30 20 DBED C[C@@H]1CN(CCC(=O)O)CCN1C(=O)[C@@H](C)n1cnc(C#N)n1 1609869230 VNJNZCUKCMZVMU-GHMZBOCLSA-N 320.353 -0.282 30 20 DBED N#Cc1ccc(N2C[C@@H](C(=O)N[C@@H](CO)C(=O)O)CC2=O)cc1 1610629362 ZNUWYFUDQBJSTI-JQWIXIFHSA-N 317.301 -0.527 30 20 DBED Cn1nnc(CS(=O)(=O)C[C@H](O)c2ccc(C#N)cc2)n1 1645927041 OUCYYKMCLKBPEG-NSHDSACASA-N 307.335 -0.270 30 20 DBED COC(=O)c1nscc1S(=O)(=O)N1CC(O)(CC#N)C1 1649782905 GBPGFTPCIVIXOH-UHFFFAOYSA-N 317.348 -0.421 30 20 DBED COCC#CCN[C@H]1CCN(C(=O)[C@@H]2CCCN2C(N)=O)C1 1752608480 SIPRTWUSWBDYPS-STQMWFEESA-N 308.382 -0.630 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@H]1CC(NC(=O)c1cc[nH]n1)C2 1752691736 XYLFJZKLAZQWQD-STQMWFEESA-N 315.377 -0.116 30 20 DBED C=CCNC(=O)CN1CCC[C@H]1CNC(=O)[C@@H]1[C@H]2COC[C@H]21 1753107921 GDVFUSRDDKUUIN-RMRHIDDWSA-N 307.394 -0.238 30 20 DBED CN1CC[C@H](C(=O)NC[C@@H]2CCN(CC(=O)NCC#N)C2)C1 1753139517 CQANYVRAGHOOQG-STQMWFEESA-N 307.398 -0.984 30 20 DBED C#CCNC(=O)CNCCN(C)C(=O)c1cccc2nccn12 1753213001 FZNKNXQZNJJIKU-UHFFFAOYSA-N 313.361 -0.255 30 20 DBED C#CCNC(=O)CNC[C@](C)(NC(=O)[C@H]1CCCO1)C1CC1 1753513689 UHPCLZZWFSQGSC-CJNGLKHVSA-N 307.394 -0.211 30 20 DBED C#CCNC[C@@](C)(NC(=O)Cn1ccc(O)nc1=O)C1CC1 1753519923 OUJHTHDFFNYKCP-OAHLLOKOSA-N 304.350 -0.543 30 20 DBED CC(=O)Nc1ccc(CC(=O)NC[C@H](O)CNCC#N)cc1 1753917604 FLPVCHRJFKXMDZ-CQSZACIVSA-N 304.350 -0.222 30 20 DBED CC#CCNC[C@H](O)CNC(=O)C1CCC(NC(C)=O)CC1 1753946625 FJTWKRZNVUEDRZ-NRXISQOPSA-N 309.410 -0.229 30 20 DBED C=C(C)CN(CC)C(=O)[C@@H](C)NC[C@@H]1CCCN1C(=O)C(N)=O 1754616288 WSTGLCDOPMTIQQ-OLZOCXBDSA-N 324.425 -0.135 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@@]1(O)CCN(CCO)C1 1754760060 QLLOGVANEWBXIU-HIFRSBDPSA-N 313.398 -0.997 30 20 DBED C#CCCN1CC[C@](O)(CNC(=O)[C@@]2(C)CCN(C(C)=O)C2)C1 1754761543 YTNFLXTVHPFWIX-IRXDYDNUSA-N 321.421 -0.179 30 20 DBED C=CCN1CC[C@@H](N2CC(O)(CNC(=O)[C@@H](C)C#N)C2)C1=O 1754765020 VBCKWNFYXFTAHR-NWDGAFQWSA-N 306.366 -0.904 30 20 DBED C[C@H](NCC(=O)NCC#N)[C@H]1CCN(C(=O)CSCC#N)C1 1754788148 QYOYFBSOWPYJDE-RYUDHWBXSA-N 323.422 -0.290 30 20 DBED C#CCNC[C@H]1CN(C(=O)c2ccc3nn[nH]c3n2)CCO1 1755000680 OPTVUMDMQBWLIE-JTQLQIEISA-N 300.322 -0.583 30 20 DBED CNC(=O)NC(=O)CN[C@H]1CN(C(=O)C#CC(C)C)C[C@H]1C 1755108311 DCVYDAPKMZEACG-NEPJUHHUSA-N 308.382 -0.462 30 20 DBED COCC#CCN(C)[C@H](C)CNC(=O)c1cccnc1C(N)=O 1755328731 SZEVOFZLMLKLBD-GFCCVEGCSA-N 318.377 -0.120 30 20 DBED C#CCOCCC(=O)N1C[C@@H](NCC(=O)NC2CC2)C[C@@H]1C 1755678780 OOUWUMAWVKRTCT-JSGCOSHPSA-N 307.394 -0.116 30 20 DBED C[C@H]1C[C@H](NCC(=O)NCC#N)CN1C(=O)c1cncnc1O 1755680204 DTQDGRBJNXQRSE-UWVGGRQHSA-N 318.337 -0.985 30 20 DBED C#CCNC(=O)CNC[C@H]1CC[C@H](NC(=O)c2cn(C)cn2)C1 1755730188 XXDXYBTUWMDNFF-STQMWFEESA-N 317.393 -0.342 30 20 DBED C[C@H](CN(C)C(=O)[C@@H]1CCNC1=O)NC(=O)CSCC#N 1756480426 CWIXQBDRACVFIW-NXEZZACHSA-N 312.395 -0.658 30 20 DBED C=CCOCC(=O)N1C[C@@H](NC(=O)CNC(=O)C2CC2)C[C@H]1C 1756582467 HZRGGKYNHMBCIH-YPMHNXCESA-N 323.393 -0.179 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)C#CC1CC1)NC(=O)CCNC(N)=O 1756822642 FTCHUNMVZBWFEE-MNOVXSKESA-N 308.382 -0.142 30 20 DBED C[C@@]1(C(=O)O)CN(S(=O)(=O)c2cc(C#N)ccn2)CCO1 1776509437 KWFXLEIZAUOFFM-LBPRGKRZSA-N 311.319 -0.183 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)Cc1cc(C)no1)CCO2 1783046886 ROWCYJGYJDGHNP-INIZCTEOSA-N 317.345 -0.011 30 20 DBED CN(C)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CC1)C2 1795181949 NMAICHFOMYOQOT-DABQJJPHSA-N 320.393 -0.559 30 20 DBED COCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CCC1)C2 1795207701 VRCOJZIYSVQOAR-DABQJJPHSA-N 321.377 -0.084 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(=O)c1ccco1)C2 1800450859 IHFIPJWNHGIDFR-GNXNZQSNSA-N 316.313 -0.315 30 20 DBED C#CC(=O)N1CC2(CCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)C1 1842000400 VEKBXPHTMVUZDV-UHFFFAOYSA-N 317.305 -0.372 30 20 DBED Cc1cc(C(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)n[nH]1 1846196078 JAZNJRLANHSLDP-UHFFFAOYSA-N 316.317 -0.377 30 20 DBED C#CCNC(=O)CSc1nnc(-n2nc(C)cc2C)n1N 7530827 OKIPRSMJWJXUFJ-UHFFFAOYSA-N 305.367 -0.364 30 20 DBED Cc1ncc(CO)c(/C=N/CCCNS(C)(=O)=O)c1O 28185584 AIDPSQJNKVPRQK-NTUHNPAUSA-N 301.368 -0.054 30 20 DBED C#CCN1CCC(C(=O)N2CCN(CC(=O)NCC)CC2)CC1 57154975 CTPXJFGAOXHHEP-UHFFFAOYSA-N 320.437 -0.388 30 20 DBED C#CCN1CCN(C(=O)c2cc(C)nc3c2c(=O)[nH]n3C)CC1 112920977 UYQANRAUOVUJAD-UHFFFAOYSA-N 313.361 -0.039 30 20 DBED CC[C@@H]1CN(/C(=N\C)NCCNS(C)(=O)=O)CCS1 261927665 LDZVMWXMRAUOMO-SNVBAGLBSA-N 308.473 -0.062 30 20 DBED Cc1nc(C(=O)NCCCN2C(=O)CNC2=O)ccc1C#N 264509411 XFVBGXHQAAFEBA-UHFFFAOYSA-N 301.306 -0.067 30 20 DBED N#CCC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 274742101 SSKSKOAEZAEWTJ-UHFFFAOYSA-N 312.307 -0.097 30 20 DBED CC(C)N1CCN(C(=O)NCCn2cnc(C#N)n2)CC1=O 287097291 XPBMHGQQTYDDKZ-UHFFFAOYSA-N 305.342 -0.588 30 20 DBED O=C1CN(/C(O)=N/C[C@H]2CCCS(=O)(=O)C2)CN1C1CC1 329366425 KKNTVSUOTKSAIK-SNVBAGLBSA-N 315.395 -0.011 30 20 DBED Cn1c(=O)ccn(C/C(O)=N/[C@H]2CCc3c[nH]nc3C2)c1=O 329866627 VBRIAGLOWBLHSY-JTQLQIEISA-N 303.322 -0.216 30 20 DBED C[C@H]1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC[S@@]1=O 330251977 NXWNBMJLDOQKRE-FPVGNUTFSA-N 310.379 -0.697 30 20 DBED COCC(=O)N1CCN(/C(O)=N/[C@H](C)C[S@@](C)=O)CC1 330825871 HJVHWPXTRGIOIO-CFMSYZGJSA-N 305.400 -0.542 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@@H](C)C[S@@](C)=O 336938320 HNPIMNCHNHVYRL-XTZNXHDOSA-N 311.429 -0.550 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCOC[C@@H]1C(=O)OC 337064058 JBJPBJLGDDAXAY-GHMZBOCLSA-N 319.383 -0.413 30 20 DBED Cn1cc(S(=O)(=O)N(CCC#N)CCC#N)cc1C(N)=O 345930567 JHUKSRSIRYNYRC-UHFFFAOYSA-N 309.351 -0.058 30 20 DBED C=C[C@@H](CO)NS(=O)(=O)c1ccc2nc(O)nc(O)c2c1 349807772 DPWAKYSBZCCIRQ-ZETCQYMHSA-N 311.319 -0.134 30 20 DBED N#CC[C@@H](CC(=O)N(CC(N)=O)CC(N)=O)c1ccccc1 355621383 MLMKRESGFNNCSJ-LBPRGKRZSA-N 302.334 -0.127 30 20 DBED Cn1ncc(C(=O)NC[C@](C)(O)CN2CCOCC2)c1C#N 356240573 CCUQHVJLTWVJCT-AWEZNQCLSA-N 307.354 -0.895 30 20 DBED CC(C)N=c1[nH]c(=NCCO)[nH]c(=N[C@@H]2CC[C@H](C#N)C2)[nH]1 425276100 UYSGXOBZRXSUHV-WDEREUQCSA-N 305.386 -0.534 30 20 DBED C=CCOC[C@H](NC(=O)C1(S(C)(=O)=O)CC1)C(=O)OC 435939678 VFTQMBGYMMMXGD-VIFPVBQESA-N 305.352 -0.576 30 20 DBED C#CCN1CCC[C@H]1COC(=O)c1cn(CC(=O)N(C)C)nn1 490616379 KPMBZBIVOAPAMO-LBPRGKRZSA-N 319.365 -0.379 30 20 DBED CCS(=O)(=O)CCCNc1c(C#N)c(=O)n(C)c(=O)n1C 565226005 INTQEPLZRRRFGX-UHFFFAOYSA-N 314.367 -0.808 30 20 DBED CO[C@@H]1COC[C@H]1NC(=O)C(=O)Nc1ccc(C#N)c(C)n1 569102664 MINOICKESDRLMX-GHMZBOCLSA-N 304.306 -0.270 30 20 DBED Cn1cnnc1NC(=O)CNS(=O)(=O)c1cccc(C#N)c1 572926617 DKUWSLCJHJJBMB-UHFFFAOYSA-N 320.334 -0.396 30 20 DBED CC(=O)c1ccc(S(=O)(=O)NCC(=O)NCC#CCO)cc1 580094229 VEPNMPFVSSYBCA-UHFFFAOYSA-N 324.358 -0.721 30 20 DBED CN1C(=O)C[C@@H](NS(=O)(=O)c2cccc(CC#N)c2)C1=O 588133044 VFQDVRYCJPGTFM-LLVKDONJSA-N 307.331 -0.212 30 20 DBED Cc1onc(CC(=O)NCC(C)(C)NS(C)(=O)=O)c1C#N 611527433 KIMJXNQDCDZHMM-UHFFFAOYSA-N 314.367 -0.159 30 20 DBED C=C[C@H](C(=O)OC)N1CCN(C(=O)CN2CCOCC2)CC1 619715763 MANVLLOOFXFJSP-CYBMUJFWSA-N 311.382 -0.810 30 20 DBED O=C(NC1CC1)c1cccc(S(=O)(=O)NCC#CCO)c1 632517016 VRVRJGRVXDRDFZ-UHFFFAOYSA-N 308.359 -0.147 30 20 DBED Cc1ccccc1C=c1sc(=C(C#N)C#N)n(CC(N)=O)c1=O 727162373 ASRODFGCTJQYFG-UHFFFAOYSA-N 324.365 -0.270 30 20 DBED C#CCN1CCN(C(=O)c2cc(S(N)(=O)=O)c(C)o2)CC1 756041631 OIPBUOXUYXFFAA-UHFFFAOYSA-N 311.363 -0.374 30 20 DBED CC(=O)N1CCOC[C@H]1C(=O)NCCNc1ncccc1C#N 763999324 FIBZHCACVZPVOW-ZDUSSCGKSA-N 317.349 -0.271 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)c1cnc2c(c1)NC(=O)CO2 771102297 MOQAJJIIBHLEBO-QMMMGPOBSA-N 303.274 -0.293 30 20 DBED C#C[C@@H](NC(=O)C(=O)Nc1ccn(CCOC)n1)[C@@H]1CCCO1 773791836 DDKLRUHHLVKVHA-NEPJUHHUSA-N 320.349 -0.235 30 20 DBED CCN(CC)S(=O)(=O)CC(=O)[C@H](C#N)C(=O)NC1CC1 784829519 SQVFYUKBLQHQFP-JTQLQIEISA-N 301.368 -0.355 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@](C)(O)C(C)C)CC1 831568410 HTPXGIZRVLASNF-CYBMUJFWSA-N 317.411 -0.995 30 20 DBED Cn1nnnc1Cn1cc(C#N)c(I)n1 849923696 HQKNCMHHWJXUMT-UHFFFAOYSA-N 315.078 -0.069 30 20 DBED C#CC[C@H](CO)NC(=O)c1cccc([C@]2(C)NC(=O)NC2=O)c1 854544525 QRENHHNQFSJPMA-WBMJQRKESA-N 315.329 -0.145 30 20 DBED C#CCCS(=O)(=O)N[C@@H]1CCCC[C@H]1NS(C)(=O)=O 859307937 CEZFXOYLOCXDMT-GHMZBOCLSA-N 308.425 -0.211 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2C[C@H](C)CO2)CC1 896180706 FLWMOUAHLZLKFK-UONOGXRCSA-N 307.394 -0.305 30 20 DBED N#Cc1cc(C(=O)N2CC[C@H](NC(=O)[C@H]3CCC(=O)N3)C2)c[nH]1 937747988 QDXGDUJZTSOHLF-CMPLNLGQSA-N 315.333 -0.504 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](N(C)C(=O)Cn2cnnc2O)C1 939396794 KZLBEEQCEQRKEQ-UWVGGRQHSA-N 306.326 -0.797 30 20 DBED C#CCN1CC[C@H](NC(=O)CN2CCC(=O)NC2=O)[C@@H](C)C1 944013700 BHNDFYCETRYSMM-RYUDHWBXSA-N 306.366 -0.612 30 20 DBED C=CCN1CC[C@H](NC(=O)CN2C(=O)CN(C)C2=O)[C@H](C)C1 944787133 BGENRODMOULRLO-NEPJUHHUSA-N 308.382 -0.107 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3C[C@H]2N(C(=O)CC(N)=O)C3)c1 946876801 CDBOSYZOZNEISF-IYYTYJHQSA-N 301.306 -0.909 30 20 DBED C#CCCN1CC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C[C@@H]1C 947323203 IGLGFXRYCSQTDD-NWDGAFQWSA-N 318.381 -0.631 30 20 DBED COc1nn(C)cc1C(=O)NC[C@@H]1CCN1C(=O)[C@H](C)C#N 951456761 BKPZYNBERIGHDV-ZJUUUORDSA-N 305.338 -0.081 30 20 DBED C=C1CC(C)(C(=O)N2CC[C@H]2CNC(=O)[C@H]2CNC(=O)N2)C1 951879597 ZFZCJRXISALPLZ-WDEREUQCSA-N 306.366 -0.259 30 20 DBED C#Cc1ccc(C(=O)N2CC(N(C)C(=O)c3cnn(C)n3)C2)nc1 954777246 ZMVPAUZMAOSFNW-UHFFFAOYSA-N 324.344 -0.212 30 20 DBED C=CCN1C[C@H](O)[C@H](CNC(=O)c2cccn3nnnc23)C1 958092282 PUNVMILHYCWTBW-PWSUYJOCSA-N 302.338 -0.667 30 20 DBED CC#CCN1C[C@@H](O)[C@H](CNC(=O)c2cc3n(n2)CCO3)C1 958135086 KNENVCPGVGYUPW-DGCLKSJQSA-N 304.350 -0.679 30 20 DBED C#CCCN1C[C@H](O)[C@H](CNC(=O)c2cn(C)c(C)cc2=O)C1 958152314 ODQBNDXXNFENOX-CJNGLKHVSA-N 317.389 -0.260 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](CNC(=O)c2ccnc3[nH]nnc23)C1 958249615 VXNAXIMIBNNADO-PWSUYJOCSA-N 316.365 -0.049 30 20 DBED N#CCN1C[C@@H](O)[C@@H](CNC(=O)c2ccc3nc(O)[nH]c3n2)C1 958345709 QUFNOQMKGCBTHM-GZMMTYOYSA-N 316.321 -0.790 30 20 DBED C=CCN1C[C@@H](O)[C@@H](CNC(=O)c2nccn3ccnc23)C1 958417507 LOAGXVWXTXYGIQ-NWDGAFQWSA-N 301.350 -0.062 30 20 DBED C#CCN1C[C@H](CNC(=O)c2cnc(OCC)cn2)[C@@H](O)C1 958761986 CQZVLVDFQFSCPO-AAEUAGOBSA-N 304.350 -0.469 30 20 DBED C#CCOc1ncccc1C(=O)N[C@H]1[C@@H]2CN(CCO)C[C@@H]21 962334682 UFDHJKNIEFJUEQ-WDNDVIMCSA-N 301.346 -0.254 30 20 DBED Cc1c(C(=O)NC[C@H]2COCCN2C(=O)[C@@H](C)C#N)cnn1C 964103019 MCVZDIRJJUNDFX-JQWIXIFHSA-N 319.365 -0.155 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)c1cnns1 964104841 DMQAXORNHNGPJQ-RKDXNWHRSA-N 309.351 -0.345 30 20 DBED C#CCN1CCC(C(=O)N2CC3(CN(C(C)=O)CCO3)C2)CC1 965261262 OHILJAOODYTHTH-UHFFFAOYSA-N 319.405 -0.209 30 20 DBED CC#CCN1CC[C@H](C)[C@H](NC(=O)CN2CCN(C)C(=O)C2)C1 967011873 YZUPZEHXJIGMEC-LSDHHAIUSA-N 320.437 -0.390 30 20 DBED CC#CCN1CC[C@H](C)[C@H](NC(=O)CN2C(=O)CNC2=O)C1 968626596 BABIAFGCBLFYOF-NWDGAFQWSA-N 306.366 -0.612 30 20 DBED C=C(C)C(C)(C)C(=O)N1C[C@H](O)[C@H](NC(=O)c2cnn[nH]2)C1 968707301 KLTQYJVTFGEVOE-MNOVXSKESA-N 307.354 -0.292 30 20 DBED O=C(C#CC1CC1)N1C[C@H](O)[C@H](NC(=O)C23CCN(CC2)C3)C1 969089975 GROYWYQXEMQIDN-KGLIPLIRSA-N 317.389 -0.817 30 20 DBED C[C@H](NC(=O)c1c[nH]c(C#N)c1)C1CN(CCS(C)(=O)=O)C1 969526060 IVDOWJYKIPKZMB-JTQLQIEISA-N 324.406 -0.019 30 20 DBED C#CCN1C[C@H]2CC[C@H]1CN2C(=O)CCn1cc[nH]c(=O)c1=O 971926466 NEGVMQSEZFKVRV-QWHCGFSZSA-N 316.361 -0.765 30 20 DBED CC#CCN1CCO[C@]2(CCN(C(=O)[C@H]3COCCO3)C2)C1 972274561 ITRYPGDNCZGWGJ-GDBMZVCRSA-N 308.378 -0.272 30 20 DBED Cn1cc(OCC(=O)N2CC[C@@]3(CN(CC#N)CCO3)C2)cn1 972524021 NLUOIMPNUNPUOR-OAHLLOKOSA-N 319.365 -0.374 30 20 DBED N#Cc1ccc(C(=O)NC[C@@H]2CCCN(C(=O)C(N)=O)C2)[nH]1 975226584 CVVZCYZSXZUSFJ-VIFPVBQESA-N 303.322 -0.660 30 20 DBED CN1C(=O)CN(CC(=O)N[C@H]2CCC[C@H](NCC#N)C2)C1=O 981456713 KWGTZODIYPFKHA-QWRGUYRKSA-N 307.354 -0.579 30 20 DBED CN1CCO[C@H](C(=O)NC[C@@H]2CCN(C(=O)C#CC3CC3)C2)C1 982738789 AIRQJCCCWPCUFV-GJZGRUSLSA-N 319.405 -0.305 30 20 DBED C=CCN(C)C1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)CC1 985688022 LZYFYIQTNIUTSL-UHFFFAOYSA-N 320.393 -0.194 30 20 DBED N#CCN[C@@H]1CCC[C@H]2CN(C(=O)CCn3cnnn3)C[C@@H]21 992875198 MNPUWZJRCLNWJV-RWMBFGLXSA-N 303.370 -0.197 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN(C(=O)Cn2ccnc2)C1 994754925 OKYRTZABQLTVKY-AWEZNQCLSA-N 315.377 -0.692 30 20 DBED C[C@H](C#N)C(=O)N1CC(N2C[C@@H](NC(=O)C3(C)CC3)CC2=O)C1 995494355 MOUSHPLJNKKLOD-MNOVXSKESA-N 318.377 -0.126 30 20 DBED C[C@@H](C(=O)N1C[C@@H](NCC#N)C(C)(C)C1)N1C(=O)CCC1=O 995870529 CPAMPYCNTOIRSD-WDEREUQCSA-N 306.366 -0.126 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)c2cnn3c2OCCC3)C1 996365469 HZYLMQUOKGIYBS-VIFPVBQESA-N 303.322 -0.234 30 20 DBED C#CCNC1CC(N(C)C(=O)c2cn(CC(=O)N(C)C)nn2)C1 999877006 AJWPQIATWPOGSF-UHFFFAOYSA-N 318.381 -0.808 30 20 DBED C#CCN1CC[C@@H](n2cc(CNC(=O)C3=COCCO3)nn2)C1 999937286 HJRFUGQCHFRQRV-CYBMUJFWSA-N 317.349 -0.338 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)[C@H]2CCCCN2C(N)=O)C1 1000218648 NTHQHDUTNSXADV-GXSJLCMTSA-N 307.354 -0.594 30 20 DBED C#Cc1ccccc1CC(=O)N1CC[C@H](NC(=O)C(N)=O)[C@@H]1C 1011940823 ROYRQPMAUQPCMV-FZMZJTMJSA-N 313.357 -0.199 30 20 DBED Cn1nccc1CC(=O)NC1[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]12 1013019302 WJWGRDCWUJWRLD-ZIAGYGMSSA-N 312.373 -0.051 30 20 DBED C#CCCN1CC[C@H](NC(=O)[C@@H]2CCc3nnc(O)n3C2)C1 1014995582 KQEKEUPPPAGWBB-NEPJUHHUSA-N 303.366 -0.240 30 20 DBED Cc1noc(C)c1C(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1O 1023021838 RKMZDXUMRLRCRX-WHGOUJPWSA-N 306.322 -0.247 30 20 DBED CC1(C)C(=O)NC(=O)N1CC(=O)N1C[C@@H]2CC[C@H](C1)N2CC#N 1029541741 NXFCBDWDFFJBQY-PHIMTYICSA-N 319.365 -0.484 30 20 DBED C#CCOc1ccc(C(=O)NC2CN(CC(=O)NC)C2)cc1 1031066102 SMRHLMIPCIIMMK-UHFFFAOYSA-N 301.346 -0.141 30 20 DBED C=CCCn1cc(C(=O)NC2CN([C@@H](C)C(=O)N(C)C)C2)nn1 1031079770 KWRAGGAOFXLDIY-NSHDSACASA-N 320.397 -0.255 30 20 DBED C#CCN1CCC(C(=O)NCC2CN([C@H](CC)C(N)=O)C2)CC1 1032207377 OTZIRXIFRHSSPA-OAHLLOKOSA-N 320.437 -0.357 30 20 DBED N#CCN1C[C@@H]2C[C@H]1CN2C(=O)Cn1nc2n(c1=O)CCCC2 1032720623 ZYXFSLZIZKQIAA-RYUDHWBXSA-N 316.365 -0.810 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN([C@H]2CCCNC2=O)C1 1032827168 NZENTTRASSKSBJ-KKUMJFAQSA-N 318.421 -0.447 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(CC1)CN([C@@H]1CCC(=O)NC1=O)C2 1035671552 SRBXOBBDRRZETR-NWDGAFQWSA-N 318.377 -0.124 30 20 DBED C=CCN1CC2(CCN(C(=O)CN3C(=O)CN(C)C3=O)CC2)C1 1035848874 NQPAYEGOURWANM-UHFFFAOYSA-N 320.393 -0.009 30 20 DBED N#CCN1CC[C@H]2CN(C(=O)CN3C(=O)CCC3=O)CC[C@@H]21 1036890681 WTSNCJFEUUEGBW-RYUDHWBXSA-N 304.350 -0.418 30 20 DBED N#CCN1CC[C@H]1CNC(=O)c1cn(C2CCOCC2)nn1 1038897101 FPPICGRDQBWONF-LBPRGKRZSA-N 304.354 -0.043 30 20 DBED C=C(C)CCC(=O)N1CC[C@@](O)(CNC(=O)c2cnnn2C)C1 1039600905 GQCQCFQVEXXYQW-OAHLLOKOSA-N 321.381 -0.135 30 20 DBED C=CCN1[C@H]2CCC[C@H]1CN(C(=O)c1cn(CC(N)=O)nn1)C2 1040014853 SLRDYOUZLZGSHG-RYUDHWBXSA-N 318.381 -0.372 30 20 DBED CCn1nccc1C(=O)N1CC[C@](O)(CNC(=O)[C@@H](C)C#N)C1 1040764763 YSZJONLLVYIAPK-NHYWBVRUSA-N 319.365 -0.244 30 20 DBED C=C(C)CCC(=O)N1CC(O)(CNC(=O)CNC(=O)OC)C1 1041703714 VVUFZLBOCSALPB-UHFFFAOYSA-N 313.354 -0.612 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)[C@H](C)OC)C1 1041773495 TUIHZDFAFVXOLP-QWRGUYRKSA-N 300.355 -0.698 30 20 DBED C#CCN1CC[C@@]2(CCN(C(=O)[C@H]3CCS(=O)(=O)N3)C2)C1 1041835978 NGWLEZCWDUUHNA-TZMCWYRMSA-N 311.407 -0.764 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)C[C@H]2CCN(C)C2)C1 1041956885 YWAOQDVOLSMVRD-CYBMUJFWSA-N 309.410 -0.016 30 20 DBED C=CCCOCC(=O)N1CC(O)(CNC(=O)c2cn(C)cn2)C1 1042553769 FLCAURNRDYEOFY-UHFFFAOYSA-N 322.365 -0.684 30 20 DBED C=C(C)CCC(=O)NCC1(O)CN(C(=O)[C@]2(C)CNC(=O)C2)C1 1043319571 GWWKBFKZIXCNBH-HNNXBMFYSA-N 323.393 -0.442 30 20 DBED C#CCN[C@@H]1CCN(C(=O)CN2CCC(=O)NC2=O)[C@@H](C)C1 1044815075 IJBVPKWNDIIYPX-NWDGAFQWSA-N 306.366 -0.469 30 20 DBED CCCCCCCCC(=O)NCC1(O)CN(C(=O)C(N)=O)C1 1046420497 WSZAYDBBHNYVRC-UHFFFAOYSA-N 313.398 -0.088 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)CN2CC[C@H](C)C2)C1 1046677692 XXEHWXBJUPQUKT-AWEZNQCLSA-N 321.421 -0.323 30 20 DBED CCn1cc(CC(=O)NCC2(O)CN(C(=O)[C@H](C)C#N)C2)cn1 1046920433 DDRMYIBKOITFOL-LLVKDONJSA-N 319.365 -0.705 30 20 DBED CCCN(C)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)C#N)C1 1049394171 IDATXUSJDHMEBP-AVGNSLFASA-N 310.398 -0.482 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)Cn1ccc(O)nc1=O)C2 1050583207 GCVQKZGKEVMJDI-UHFFFAOYSA-N 316.361 -0.494 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)[C@H](OC)[C@H]1CCOC1)CCO2 1053355331 BMSLCLBDEAPPJV-LSDHHAIUSA-N 322.405 -0.026 30 20 DBED Cn1cc(C(=O)N[C@@H]2COC3(C2)CN(CC#N)C3)ccc1=O 1053857221 YWPYUDJVAQCYGI-LBPRGKRZSA-N 302.334 -0.518 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)C[C@@H]3CCC(=O)N3C)CO2)C1 1053889173 CMEZQOZIWFLJKZ-STQMWFEESA-N 305.378 -0.410 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)C(=O)N3CCC[C@H]3CC)CO2)C1 1053974820 UENHIRGDBDUQIF-UONOGXRCSA-N 319.405 -0.020 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)C[C@H]3CC(=O)NC3=O)CO2)C1 1054025865 KNINRSILXDZXQT-RYUDHWBXSA-N 319.361 -0.978 30 20 DBED CC(C)[C@@H](O)C(=O)NC1CCN(CCNC(=O)[C@@H](C)C#N)CC1 1055629878 MXCNJVUSGGQHDL-GXTWGEPZSA-N 324.425 -0.140 30 20 DBED C=CCCC(=O)N1CCC[C@](CO)(NC(=O)Cn2cnnn2)C1 1055750974 PPOILXBERPATQQ-AWEZNQCLSA-N 322.369 -0.891 30 20 DBED N#Cc1nccnc1N1CCN(C(=O)C[C@@H]2CCNC2=O)CC1 1055923753 MKOJGKBBOWUZQC-NSHDSACASA-N 314.349 -0.477 30 20 DBED N#Cc1cnccc1N1C[C@H]2C(NC(=O)[C@H]3COCCO3)[C@@H]2C1 1056136658 YXGHHICOSSIAFM-YRGRVCCFSA-N 314.345 -0.081 30 20 DBED N#Cc1nccnc1N1C[C@H]2[C@H](NC(=O)C34CCN(CC3)C4)[C@H]2C1 1056268052 STPRUCNPMGMQIQ-IMRBUKKESA-N 324.388 -0.005 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H]2CN(C(=O)CNC(N)=O)C[C@H]21 1056713066 CMSQXJHJQWSPGI-OUAUKWLOSA-N 307.354 -0.736 30 20 DBED C=C(C)C[C@H](C)C(=O)NCCN(CCO)C(=O)CNC(C)=O 1056817030 AVCZIMZWMVBHFZ-LBPRGKRZSA-N 313.398 -0.338 30 20 DBED C=CCO[C@H](C)C(=O)NCCN(CCO)C(=O)CSC 1056904303 UHEBJMMHBPINPB-LLVKDONJSA-N 304.412 -0.122 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)CCC(=O)NCC 1057184208 IINOPRKYMSMFKX-UHFFFAOYSA-N 313.398 -0.194 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)c1ccc(O)nn1 1057439686 WQTFMYXDOFRXEZ-UHFFFAOYSA-N 320.349 -0.464 30 20 DBED C[C@H]1C[C@@H](C(=O)NCCN(CCO)C(=O)C#CC2CC2)CO1 1057535417 AEHLUOMBPPMDLN-GXTWGEPZSA-N 308.378 -0.238 30 20 DBED N#Cc1cnc(N2CCC(NC(=O)[C@H]3COCCO3)CC2)cn1 1057840595 KCHYWBNHRHCJDE-CYBMUJFWSA-N 317.349 -0.151 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)CC[C@H]1CCCN1C 1057966781 RNAQWENXTOMDCQ-UONOGXRCSA-N 324.425 -0.042 30 20 DBED N#Cc1cncc(N2CCC[C@H](NC(=O)[C@H]3COCCO3)C2)n1 1058120646 SWKJZJBNIWRJKH-WCQYABFASA-N 317.349 -0.151 30 20 DBED Cc1cc(C#N)nc(N2CC[C@@H](NC(=O)Cn3ncnn3)C2)n1 1058452597 WGIZQZWSPGAGDN-SNVBAGLBSA-N 313.325 -0.962 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)[C@]1(F)CCOC1 1058493115 MSTDSGSTGZFXTO-HNNXBMFYSA-N 314.357 -0.144 30 20 DBED C#CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)c1conc1C 1058651346 MBEPIZSPIMHDMX-LBPRGKRZSA-N 323.349 -0.428 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)[C@@H](F)C(F)(F)F 1058660983 MJSMQNPIOSNBNF-JGVFFNPUSA-N 313.251 -0.016 30 20 DBED N#Cc1cncc(N[C@H]2CCN(C(=O)[C@@H]3CCC(=O)N3)C2)n1 1058935335 GXHJTJMAPHHPLW-ONGXEEELSA-N 300.322 -0.360 30 20 DBED N#Cc1cncc(N[C@H]2CCN(C(=O)[C@H]3CCC(=O)NC3)C2)n1 1059114240 JZFPWDDUUUPNTO-QWRGUYRKSA-N 314.349 -0.113 30 20 DBED C=CCCO[C@@H](C)C(=O)N1CC[C@@H](CCNC(=O)C(N)=O)C1 1059293791 ZECHWZFVZPZYDA-NWDGAFQWSA-N 311.382 -0.192 30 20 DBED CSCC(=O)NC[C@H]1COCCN1C(=O)CSCC#N 1061256505 PASXRTWWQWYFQF-JTQLQIEISA-N 317.436 -0.050 30 20 DBED C=CCCC(=O)NC[C@H]1COCCN1C(=O)c1cnnn1C 1061407499 QKUBWJXJWLSVEE-NSHDSACASA-N 307.354 -0.262 30 20 DBED N#Cc1nccc(N2CC[C@H](CNC(=O)[C@@H]3CCC(=O)N3)C2)n1 1061627532 VNNITINFHCKOAO-MNOVXSKESA-N 314.349 -0.431 30 20 DBED C#CCOCCC(=O)NC1(CNC(=O)CC(=O)NC)CCC1 1062845013 ORFKRWHVNPVHNC-UHFFFAOYSA-N 309.366 -0.683 30 20 DBED N#Cc1ccc(N2CCO[C@@H](CNC(=O)c3cnco3)C2)nn1 1063647384 JJFWYNJDQKURRQ-NSHDSACASA-N 314.305 -0.029 30 20 DBED C#CCO[C@H](C)C(=O)NC1(CNC(=O)[C@H]2C[C@H]2C(N)=O)CCC1 1064562579 GCNLMHFHVKKVPC-UTUOFQBUSA-N 321.377 -0.699 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H]1CN(C(=O)C2CCC2)CCO1 1064730058 NQDXAAHISLAQDS-ZDUSSCGKSA-N 321.377 -0.730 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)[C@@H]2COCCO2)CCO1 1064881111 OCOUXFUXUSQGGI-KBPBESRZSA-N 324.377 -0.451 30 20 DBED C[C@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1Nc1ccc(C#N)nc1 1067148080 CPXZJNWXKNTYEM-GWCFXTLKSA-N 312.337 -0.101 30 20 DBED C[C@H]1CN(C(=O)Cn2ncnn2)C[C@H]1Nc1ccc(C#N)nc1 1067148081 CPXZJNWXKNTYEM-GXFFZTMASA-N 312.337 -0.101 30 20 DBED N#Cc1nccnc1N1C[C@@H](O)[C@H](CNC(=O)c2ccc[nH]2)C1 1067657068 VXPVXTKBGYJLEM-ZWNOBZJWSA-N 312.333 -0.097 30 20 DBED C=CCOCC(=O)N1CC2(C1)CN(C(=O)c1cnco1)CCO2 1068417472 CIWPPAOFNNBBLF-UHFFFAOYSA-N 321.333 -0.069 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1COC2(C1)CN(C(=O)c1cnsn1)C2 1069002906 IRDCQQZVDMICSQ-IUCAKERBSA-N 321.362 -0.203 30 20 DBED C=C[C@H](C)[C@@H](C)C(=O)NC1(CNC(=O)C(N)=O)CCOCC1 1070205060 DDSQVECCYCDXSY-WDEREUQCSA-N 311.382 -0.289 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2COCCO2)C1 1070460404 KYCKUGKFLHCVOP-KGLIPLIRSA-N 324.377 -0.451 30 20 DBED CC(C)C#CC(=O)N1CCC[C@@H](NC(=O)[C@@H]2CN(C)C(=O)N2)C1 1070701334 LJNJKDRLGJKZPM-OLZOCXBDSA-N 320.393 -0.223 30 20 DBED CO[C@H]1CC[C@H](C(=O)N2CCC(=O)NCCN(CC#N)CC2)C1 1070975295 JWUHHGWCJCDDEJ-KBPBESRZSA-N 322.409 -0.024 30 20 DBED CC#CCN1CC[C@@]2(C1)CN(C(=O)Cn1ncnn1)C[C@@H](C)O2 1071168808 HWXZNFNHMYKNDC-UKRRQHHQSA-N 318.381 -0.612 30 20 DBED CC#CCN1CC[C@@]2(C1)CN(C(=O)c1nnn(C)n1)C[C@H](C)O2 1071199367 LBWGJQOHHOBTPP-SWLSCSKDSA-N 318.381 -0.461 30 20 DBED CNC(=O)C1(C(=O)N[C@@H]2CCCN(C(=O)[C@H](C)C#N)C2)CC1 1071229542 SUVQOCVYZGDQBI-GHMZBOCLSA-N 306.366 -0.221 30 20 DBED C[C@H]1CN(C(=O)CSCC#N)C[C@H]1NC(=O)c1cnn(C)n1 1071661531 LJPIKKSSAWYIEG-GXSJLCMTSA-N 322.394 -0.351 30 20 DBED C=CCOCC(=O)N1C[C@H](C)[C@H](NC(=O)c2[nH]nnc2C)C1 1071805067 KHWKJSQFNMYABE-GXSJLCMTSA-N 307.354 -0.108 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CCN(C(=O)COCC)C[C@H]1C 1073890421 IMXMCLSUVUDVOC-OLZOCXBDSA-N 323.393 -0.484 30 20 DBED C#CCOCCC(=O)N[C@H]1CCN(C(=O)c2cnn[nH]2)C[C@H]1C 1073958910 ALUFVEHHLGUJGR-NEPJUHHUSA-N 319.365 -0.189 30 20 DBED N#CCN1CCO[C@@H]2CCN(C(=O)Cn3ccccc3=O)C[C@@H]21 1074408666 ZSGJBEXRQQNWJV-UONOGXRCSA-N 316.361 -0.326 30 20 DBED Cc1nc[nH]c1C(=O)NCC1(O)CCN(C(=O)[C@@H](C)C#N)CC1 1074706241 IPVDUXDWHAOZGY-JTQLQIEISA-N 319.365 -0.039 30 20 DBED CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)CSCC#N 1075675564 DIWMJZXUECXMKV-JTQLQIEISA-N 314.411 -0.220 30 20 DBED C#CCOCCC(=O)NCC[C@H](C)NC(=O)C1=COCCO1 1076504176 OTVYGUDHRMOIFU-LBPRGKRZSA-N 310.350 -0.075 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)Cn2cc(C3CC3)cn2)C1 1077263097 HVFJATICAUUNDL-HUUCEWRRSA-N 302.378 -0.055 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2cccc(-n3cccn3)n2)C1 1077659032 WAJMPVYSRIJXFC-ZIAGYGMSSA-N 311.345 -0.325 30 20 DBED C#CCOCCC(=O)N[C@@H](C)CCNC(=O)C(=O)NCC1CC1 1078057385 NTXIHGAMLSKTGL-LBPRGKRZSA-N 323.393 -0.437 30 20 DBED C=CCCC(=O)NC1(CO)CCN(C(=O)Cn2nccn2)CC1 1080768014 GLDPFIKJTLFFEJ-UHFFFAOYSA-N 321.381 -0.286 30 20 DBED CC(F)(F)C(=O)N1C[C@@H](O)[C@@H](CNC(=O)CSCC#N)C1 1081286240 JDOVTBJHTNMCKO-DTWKUNHWSA-N 321.349 -0.166 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)c2ccncn2)C[C@H]1O 1081438364 BNVMJXKYBGFDRI-GXTWGEPZSA-N 316.361 -0.171 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)Cc2cnoc2)C[C@@H]1O 1081438693 FZBWCVJTJXLFMM-KGLIPLIRSA-N 319.361 -0.044 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)CC(=O)N(C)C)C[C@H]1O 1081445065 QPAYLQSXGDFSNW-QWHCGFSZSA-N 323.393 -0.796 30 20 DBED Cn1cc(C(=O)N2C[C@H](O)[C@H](CNC(=O)C#CC3CC3)C2)cn1 1081468539 LICUZXGNYHFJEA-OCCSQVGLSA-N 316.361 -0.617 30 20 DBED C=CCCOCC(=O)NC[C@@H]1CN(C(=O)c2cocn2)C[C@H]1O 1081569406 NZVXLXAMBQBEIH-DGCLKSJQSA-N 323.349 -0.184 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cccnn2)C1 1081687488 GSTBJGPTSMAQOK-WCQYABFASA-N 304.350 -0.008 30 20 DBED N#CCSCC(=O)NC[C@@H]1CCCCN1C(=O)CC(N)=O 1081971972 DXOJAKKXTCYTGQ-JTQLQIEISA-N 312.395 -0.384 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(Cc2cnon2)C[C@@H]1O 1083790204 UTYLYOIUHSHZKP-NDBYEHHHSA-N 308.338 -0.678 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)[C@@H](Cn3cccn3)N(C)C)[C@@H]2C1 1084405343 IQUYCPKBQOJKEZ-BZUAXINKSA-N 315.421 -0.021 30 20 DBED Cn1nc(C(=O)N2C[C@H]3CCN(CC#N)C[C@H]3C2)ccc1=O 1088192108 JWSDILRRSOLAEA-NEPJUHHUSA-N 301.350 -0.302 30 20 DBED C=CCN1CC[C@@H]2CN(C(=O)CC[C@@H]3NC(=O)NC3=O)C[C@@H]2C1 1088194829 YMOZWKBWNWSOCV-AGIUHOORSA-N 320.393 -0.059 30 20 DBED C=CCN[C@H]1CCCCCN(C(=O)c2cn(CC(N)=O)nn2)C1 1088430642 UWPBORHOFPEXAR-LBPRGKRZSA-N 320.397 -0.076 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)c2cccn3nnnc23)[C@H](O)C1 1090295962 UDQVIQVZZINKOS-CHWSQXEVSA-N 316.365 -0.135 30 20 DBED CC(C)N(C)CC(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1O 1090440498 YBZCEHHQQJEZEU-VXGBXAGGSA-N 318.381 -0.646 30 20 DBED C=CCN1CC[C@H](NC(=O)c2cnc3c(c2)nnn3C)[C@H](O)C1 1090442266 RMSMCZKECNAAJX-WCQYABFASA-N 316.365 -0.286 30 20 DBED CCN(C)CCC(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1O 1090473365 KEVHUCOUDBGKHM-HUUCEWRRSA-N 317.393 -0.039 30 20 DBED Cn1ncc2cc(C(=O)N[C@@H]3CCN(CC#N)C[C@H]3O)cnc21 1090680600 WYSVPTBAKNZCOK-CHWSQXEVSA-N 314.349 -0.343 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2cccn(C)c2=O)[C@H](O)C1 1090738460 ZBDUDNVWUUCHRG-ZIAGYGMSSA-N 303.362 -0.426 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2noc3c2COCC3)[C@@H](O)C1 1090822095 AJAUJKPYVQBPGH-STQMWFEESA-N 319.361 -0.064 30 20 DBED CC(=O)NCC(=O)N[C@H]1[C@@H]2CN(c3ccc(C#N)nn3)C[C@@H]21 1093215814 QMRNGQPPPSIKJN-YABSGUDNSA-N 300.322 -0.965 30 20 DBED CS(=O)(=O)CC(=O)N1CCC(OC2CN(CC#N)C2)CC1 1093513221 LOIKLZQYKYTIAR-UHFFFAOYSA-N 315.395 -0.754 30 20 DBED N#Cc1c[nH]ccc1=NCCNC(=O)[C@@H]1CCCCN1C(N)=O 1093856001 LFBPYCVVBQRAID-ZDUSSCGKSA-N 316.365 -0.164 30 20 DBED C[C@H](C(=O)NCCCNc1cncc(C#N)n1)S(C)(=O)=O 1094877110 LGZPYQXVCJORFJ-SECBINFHSA-N 311.367 -0.300 30 20 DBED CNC(=O)CC(=O)N(C)C1CCN(c2cncc(C#N)n2)CC1 1096107607 BWKSWYNTYGGKIK-UHFFFAOYSA-N 316.365 -0.088 30 20 DBED CCNC(=O)CCC(=O)N[C@@H]1CCN(c2nccnc2C#N)C1 1096333556 WTDUIXQNQNOULM-LLVKDONJSA-N 316.365 -0.041 30 20 DBED N#Cc1ccc(N2CC[C@H](NC(=O)CCc3cnn[nH]3)C2)nn1 1096488090 DIDAUZYYCLRFLO-LBPRGKRZSA-N 312.337 -0.206 30 20 DBED N#Cc1ccc(N[C@H](CNC(=O)Cn2ncnn2)C2CC2)cn1 1096731687 SOWDRCPAMPPRHR-CYBMUJFWSA-N 312.337 -0.053 30 20 DBED C[C@H](CNC(=O)c1cc(=O)n(C)o1)N=c1cc[nH]cc1C#N 1097782435 KQUBPARRHFEMTQ-SECBINFHSA-N 301.306 -0.103 30 20 DBED CN1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC#N)S1(=O)=O 1098016802 GFQLMTBELGWZKG-WISYIIOYSA-N 312.395 -0.735 30 20 DBED C[C@H](CNC(=O)[C@@H]1CC(=O)N(C)C1)Nc1cnc(C#N)cn1 1098346293 NNQVTBBEKSBETB-NXEZZACHSA-N 302.338 -0.257 30 20 DBED CCOCCN1CC[C@H](NC(=O)CSCC#N)[C@H](O)C1 1099687530 WPFODQHLHHACEH-NWDGAFQWSA-N 301.412 -0.169 30 20 DBED Cc1cc[nH]c1C(=O)N[C@H]1CCN(CC(=O)NCC#N)C[C@@H]1O 1099798708 AYYYYMPNFRSFQF-RYUDHWBXSA-N 319.365 -0.872 30 20 DBED Cn1cnnc1CN1CC[C@H](NC(=O)C#CC(C)(C)C)[C@@H](O)C1 1099826787 QABXWZACBBOZRB-STQMWFEESA-N 319.409 -0.084 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)CCc2cnc[nH]2)[C@@H](O)C1 1099871736 JROLTKPSISSAOM-CABCVRRESA-N 320.393 -0.457 30 20 DBED CCS(=O)(=O)CC(=O)NCCN(C)c1ccc(C#N)nc1 1100148132 PGGRRJSKYSASKS-UHFFFAOYSA-N 310.379 -0.060 30 20 DBED CN(CCNC(=O)c1cc(=O)n(C)cn1)c1cnc(C#N)cn1 1100390089 VXJQPPCCJHKPDN-UHFFFAOYSA-N 313.321 -0.692 30 20 DBED CN(CCNC(=O)CCS(C)(=O)=O)c1ccc(C#N)nc1 1100394285 VEOPDSHOXCMDIJ-UHFFFAOYSA-N 310.379 -0.060 30 20 DBED CCN(CCNC(=O)c1cn(C)nn1)c1nccnc1C#N 1100505147 LUFPNXCTMJVUBA-UHFFFAOYSA-N 300.326 -0.267 30 20 DBED CCN(CCNC(=O)COCCN(C)C)c1cncc(C#N)n1 1100569472 DCXHYXKANCJGFM-UHFFFAOYSA-N 320.397 -0.131 30 20 DBED C=CCNC(=O)CNC1CC(CNC(=O)CN2CCCC2)C1 1100984305 DBSOVKBFMWCOLB-UHFFFAOYSA-N 308.426 -0.131 30 20 DBED CC[C@H](OC)C(=O)N1C[C@H]2CN(CC(=O)NCC#N)C[C@@]2(C)C1 1101157029 MEFYMEYZLXSTMA-WWGRRREGSA-N 322.409 -0.169 30 20 DBED CCCN(CCNC(=O)Cn1ncnn1)c1ccncc1C#N 1101190947 GKJYICNVOFBEOD-UHFFFAOYSA-N 314.353 -0.027 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H]1CCCN1C(=O)CNC(N)=O 1103789175 MALWLWXSPYSKPL-LLVKDONJSA-N 302.338 -0.554 30 20 DBED COC(=O)NCC(=O)N(C)[C@H](C)CNc1nccnc1C#N 1104475747 STLPRBXFEAAJAH-SECBINFHSA-N 306.326 -0.037 30 20 DBED C[C@@H](CNc1cnc(C#N)cn1)N(C)C(=O)[C@@H]1COC(=O)N1 1104546076 XHIIBXIHYLXPIR-WPRPVWTQSA-N 304.310 -0.285 30 20 DBED Cc1nn[nH]c1C(=O)N(C)[C@@H](C)CN=c1cc[nH]c(C#N)n1 1104751875 FWXFQHGAOLEEGM-QMMMGPOBSA-N 300.326 -0.231 30 20 DBED C=CCOCC(=O)NC[C@H](O)CNc1ncnc2c1cnn2C 1105746407 CVYKVMCDKYRKHY-JTQLQIEISA-N 320.353 -0.545 30 20 DBED Cc1ccc(C#N)c(NC[C@@H](O)CNC(=O)[C@H]2CCC(=O)N2)n1 1105749453 BAIJXOVXMWYCFZ-VXGBXAGGSA-N 317.349 -0.571 30 20 DBED N#Cc1nc(=NC[C@H](O)CNC(=O)[C@H]2CCCCO2)cc[nH]1 1105820195 SVTQIVSWCALWTO-WDEREUQCSA-N 305.338 -0.772 30 20 DBED C=CCn1cc(C(=O)NC[C@H](O)CNc2cnc(F)cn2)nn1 1106132283 XOZGRMBTANAQOX-SECBINFHSA-N 321.316 -0.404 30 20 DBED CCN(CCN=c1cc(C)[nH]cc1C#N)C(=O)CNC(N)=O 1106690126 LBZNTCVCCMBLQR-UHFFFAOYSA-N 304.354 -0.388 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)[C@@H]2CC(=O)N(CC)C2)C1 1107983482 METUQUNPGOQNMN-CZUORRHYSA-N 307.394 -0.305 30 20 DBED C[C@]1(CNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)CN(CC#N)CCO1 1108093743 GPQBTMURXZMZQQ-AYDFFVQHSA-N 323.393 -0.231 30 20 DBED C[C@H](CN(C)c1cnc(C#N)cn1)NC(=O)Cn1cnnc1O 1108944843 JDRBEUFTTQLFTG-SECBINFHSA-N 316.325 -0.714 30 20 DBED C[C@@H](CN(C)c1nccnc1C#N)NC(=O)C1CS(=O)(=O)C1 1109117055 RMIIVQZNBQFVCK-VIFPVBQESA-N 323.378 -0.666 30 20 DBED C#CCNC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cnon1 1109866907 OJXPUFCCZNTKNZ-DCQANWLSSA-N 317.349 -0.457 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cnn(C)c1N 1110467845 KNRIVHBRNVOMOO-BNOWGMLFSA-N 317.393 -0.013 30 20 DBED C[C@]1(NC(=O)Cn2cnnn2)CCN(c2ccc(C#N)cn2)C1 1110710650 JGZZLQGYFKGINI-AWEZNQCLSA-N 312.337 -0.275 30 20 DBED C[C@@]1(CNc2nccnc2C#N)CCN(C(=O)CNC(N)=O)C1 1110829228 UBXYHCIQUSWIHZ-AWEZNQCLSA-N 317.353 -0.333 30 20 DBED N#Cc1nc(=NCCN(CCO)C(=O)C2CCOCC2)cc[nH]1 1111419342 LUBBCCHIRVDOAU-UHFFFAOYSA-N 319.365 -0.570 30 20 DBED CC(C)[C@@H](O)C(=O)NC[C@H]1COCCN1c1nccnc1C#N 1111682569 AOKWHPHISPDWFP-WCQYABFASA-N 319.365 -0.313 30 20 DBED C[C@@H]1CN(c2nccnc2C#N)CC[C@H]1NC(=O)CC(N)=O 1112395137 GTANREGOOVELFG-NXEZZACHSA-N 302.338 -0.445 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CCN(c2cncc(C#N)n2)[C@@H](C)C1 1112469155 HHPDOROYFKGRBX-WDEREUQCSA-N 316.365 -0.042 30 20 DBED CC(C)(C)C#CC(=O)N1CCN([C@H]2CCC(=O)NC2=O)CC1 1112836541 BRYASJGGIHVBBN-LBPRGKRZSA-N 305.378 -0.015 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCN(CCNC(=O)NC(C)C)CC1 1112846331 LUIJJQMJXDUWNG-AWEZNQCLSA-N 324.425 -0.124 30 20 DBED CCCC(=O)NCC(=O)N[C@@H](C)[C@@H](C)N=c1cc[nH]c(C#N)n1 1112920279 CPAARUNOBRPRIQ-MNOVXSKESA-N 318.381 -0.008 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)[C@@H]2CCC(=O)N2C)CC1 1113207283 LHEJOOZWAPFXBC-STQMWFEESA-N 322.409 -0.558 30 20 DBED CCc1nc(C#N)cc(N(C)[C@@H](C)CNC(=O)CC(N)=O)n1 1113567590 XHXVPHGFCOCZJF-VIFPVBQESA-N 304.354 -0.273 30 20 DBED C[C@@H](CNC(=O)CCn1cnnn1)N(C)c1ccc(C#N)cn1 1113685510 ARMDDNJUQIUNAB-NSHDSACASA-N 314.353 -0.029 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3ccc(C)n3C)[C@H]2C1 1113854513 IZUKOCPPMBCQPY-VIKVFOODSA-N 314.389 -0.257 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)c3coc(C)n3)[C@H]2C1 1114174378 RWDJPLREPDYLIA-PQFRYHKHSA-N 316.361 -0.219 30 20 DBED CNC(=O)NCCC(=O)NC1[C@H]2CN(CC#CCOC)C[C@H]12 1114222504 AACDRHWVNYBZHL-RYUDHWBXSA-N 308.382 -0.998 30 20 DBED CC(C)C#CC(=O)N[C@H]1[C@@H]2CN([C@@H]3CCC(=O)NC3=O)C[C@@H]21 1114247956 ROKNQBGHTKXPDX-ZAZJYDDPSA-N 303.362 -0.503 30 20 DBED CNC(=O)CC(=O)NCC1[C@H]2CN(c3ccnc(C#N)n3)C[C@H]12 1114531118 WPMIXMSYZURHCD-GHMZBOCLSA-N 314.349 -0.717 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)[C@@H]3[C@H]4COC[C@H]43)[C@H]2C1 1114714570 VGICMSJYTDIHMH-SNIKSBKOSA-N 317.389 -0.937 30 20 DBED C=CCOCCN1C[C@H]2[C@H](NC(=O)[C@H]3CN(CC)CCO3)[C@H]2C1 1115271690 MQQXRWFEAGOECW-QXSJWSMHSA-N 323.437 -0.044 30 20 DBED CN(C(=O)CNC(N)=O)[C@@H](CNc1ccc(C#N)nn1)C1CC1 1115467655 XYHCGVMKMKDULL-NSHDSACASA-N 317.353 -0.335 30 20 DBED C[C@H](CN(C)C(=O)[C@@H]1COC(=O)N1)N=c1cc[nH]c(C#N)n1 1115703032 QUALZMMIULNFGY-BDAKNGLRSA-N 304.310 -0.863 30 20 DBED C[C@H](CN(C)C(=O)[C@@H]1CCNC(=O)C1)N=c1cc[nH]c(C#N)n1 1115708536 FWOWOSGZUZTMJC-GHMZBOCLSA-N 316.365 -0.445 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)c1cn(Cc2noc(C)n2)nn1 1116827666 JFAJEHUXULBWQP-QMMMGPOBSA-N 318.293 -0.687 30 20 DBED C#CCSCC(=O)NS(=O)(=O)[C@@H](C)[C@H](C)C(=O)OC 1119488189 PEDPPKZRAORXMB-IUCAKERBSA-N 307.393 -0.004 30 20 DBED C=C(CC)Cn1nnnc1N1CCN(S(=O)(=O)NC)CC1 1120254198 LZPNVZSHSXFJSO-UHFFFAOYSA-N 315.403 -0.775 30 20 DBED N#Cc1nc(=N[C@@H](CO)CNC(=O)C[C@H]2CCCO2)cc[nH]1 1121099949 MYELDSRMGRFEKE-GHMZBOCLSA-N 305.338 -0.772 30 20 DBED Cc1cc(C(=O)NC[C@H](CO)Nc2cncc(C#N)n2)nn1C 1121150503 MIKJNNCGQSWJID-LLVKDONJSA-N 315.337 -0.407 30 20 DBED Cn1nccc1CC(=O)NC[C@H](CO)Nc1nccnc1C#N 1121412047 KCRSLIMXDWDPSG-SNVBAGLBSA-N 315.337 -0.787 30 20 DBED Cc1cc(C#N)nc(N[C@@H](CO)CNC(=O)CN(C)C(C)C)n1 1121667711 DADIHGRIYWWXSS-CYBMUJFWSA-N 320.397 -0.114 30 20 DBED C[C@@H]1CCO[C@@H]1C(=O)NC[C@@H](CO)Nc1ccc(C#N)nn1 1122586076 TXIUNMXNFVTVSY-CDMKHQONSA-N 305.338 -0.338 30 20 DBED CN(C[C@H](O)CNc1cncc(C#N)n1)C(=O)c1cnsn1 1124090390 HPFCWRZRDIJIQO-SECBINFHSA-N 319.350 -0.255 30 20 DBED CNC(=O)CC(=O)N(C)C[C@@H](O)CN(C)c1ccc(C#N)nc1 1125069099 FAWZPNJDAMOXBL-ZDUSSCGKSA-N 319.365 -0.655 30 20 DBED CCOCC(=O)NCCN(CCOC)c1cnc(C#N)cn1 1126187569 QQHFKQRFMAOLCK-UHFFFAOYSA-N 307.354 -0.046 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@H](F)CN(CC)CC 1128543466 DFGZJOJJZLMNSI-QWHCGFSZSA-N 314.405 -0.490 30 20 DBED C=CCCOCC(=O)N1C[C@@H](NCCO)[C@H](c2cn(C)cn2)C1 1130741774 PCOJOOVKQNZOCT-DZGCQCFKSA-N 322.409 -0.111 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@@H]2C[C@@H]3CN(CC#C)C[C@]2(C1)O3 1131231390 ZLXJILTUQLQJQI-JYYAWHABSA-N 302.374 -0.040 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)COCC(F)F)C1=O 1131769551 XLDHMHVVAHQWHB-SNVBAGLBSA-N 305.325 -0.239 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@H]1CCC[C@H](C(N)=O)C1 1134614506 ZCKDWKUPRBVPCZ-RYUDHWBXSA-N 310.398 -0.714 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)[C@H]1CCCO1)C2 1146933713 LXADQTHCFXMAAI-CYBMUJFWSA-N 305.378 -0.551 30 20 DBED C=CCCO[C@H](C)C(=O)NC[C@H]1CN(CC(N)=O)CCCO1 1149356749 SYRGCAZZPARLQW-OLZOCXBDSA-N 313.398 -0.340 30 20 DBED C[C@H]1CCCN(C(=O)C(=O)NC[C@H]2CN(CC#N)CCCO2)C1 1150417407 KLMJEDVAGAULKY-KBPBESRZSA-N 322.409 -0.024 30 20 DBED C=CCOCCN1CCCO[C@@H](CNC(=O)Cn2cncn2)C1 1150698775 BFDRLTXNZISHCC-AWEZNQCLSA-N 323.397 -0.312 30 20 DBED N#Cc1ccc(CNCCCNC(=O)Cn2ncnn2)c(F)c1 1158162818 BEPZHJZQPQVFMU-UHFFFAOYSA-N 317.328 -0.020 30 20 DBED C#Cc1ccc(C(=O)NCCCN[C@H]2CCC(=O)NC2=O)cn1 1171594546 GWSXNLYRVSTECS-ZDUSSCGKSA-N 314.345 -0.422 30 20 DBED COCC#CCN1CCO[C@@H]2CCN(C(=O)c3cn[nH]c3)C[C@H]21 1176924251 MTGOBYUQMTYJBG-HUUCEWRRSA-N 318.377 -0.025 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)COCCOCC 1177038027 AEINUDWWFBQPTI-ZDUSSCGKSA-N 315.414 -0.174 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)C2=COCCO2)[C@H]1C 1178059634 ZRBOIDADBDSQMQ-AVGNSLFASA-N 321.377 -0.409 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)C2(CN(C)C)CC2)[C@H]1C 1179431234 RKXFDUASEWCGIK-KBPBESRZSA-N 320.437 -0.343 30 20 DBED C[C@@H](N[C@@H]1CCN(C(=O)CSCC#N)C1)C(=O)NC(N)=O 1181124175 MEJYADJGJQCBHQ-RKDXNWHRSA-N 313.383 -0.983 30 20 DBED CNC(=O)NCC(=O)N1C[C@@H](C)[C@](C)(CNCC#CCOC)C1 1181670735 DWTGZIHMPYXCFT-CZUORRHYSA-N 324.425 -0.361 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)c2cc(C)ncn2)C1 1182033013 IAIMEZXMWWMBDE-GFCCVEGCSA-N 303.366 -0.109 30 20 DBED C#CCNC[C@]1(C)CN(C(=O)[C@H](C)NS(C)(=O)=O)C[C@H]1C 1182731818 IQLROFZBOJTERU-MBNYWOFBSA-N 315.439 -0.369 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2cn(C)c(O)n2)C1 1185415628 BOEUYELRKGGTOO-GHMZBOCLSA-N 319.365 -0.932 30 20 DBED C#CCNC[C@@H]1CN(C(=O)CC(=O)NC)CC12CCOCC2 1186356653 NPSPFJLBWRSDSO-CYBMUJFWSA-N 307.394 -0.400 30 20 DBED C#CCOCCC(=O)N1CC[C@H]2CN([C@@H](CC)C(N)=O)C[C@H]21 1187874286 QPZZLVLOBFRLSC-MELADBBJSA-N 307.394 -0.177 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)C2CCC(O)CC2)C1 1189883161 RJNPUORSWHZREG-SHARSMKWSA-N 321.421 -0.180 30 20 DBED C=CCNC(=O)[C@@H](C)N(C)[C@@H]1CCN(C(=O)c2cnnn2C)C1 1189932467 GSAZWEPTRVEODQ-VXGBXAGGSA-N 320.397 -0.348 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)CC2CCCC2)C1 1190749971 CATNKPVBPXISFM-BPLDGKMQSA-N 321.421 -0.134 30 20 DBED CCn1nnc(C)c1CN1C[C@@H](O)[C@H](NC(=O)C#CC2CC2)C1 1192769757 AURZHSBIXNMSKL-UKRRQHHQSA-N 317.393 -0.319 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)[C@H]2CCN(C)C2)C1 1194002307 QZEVKTRGDUYDSV-KBPBESRZSA-N 308.426 -0.227 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@](C)(C=C)CC)C1 1195924375 VAGREZDOYPKJQP-XJKCOSOUSA-N 307.394 -0.501 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)CC(C)(F)F)C1 1196005047 RNKRZGAGULPDID-HBNTYKKESA-N 317.336 -0.669 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)COc2ccc(OC)cc2)C1 1198593021 RFLRMYNDSOFIBU-HUUCEWRRSA-N 304.346 -0.132 30 20 DBED C#CCNC(=O)[C@H](C)NC1CCN(C(=O)[C@@H](C)COC)CC1 1199796775 JXRIPTAKIOSPTC-STQMWFEESA-N 309.410 -0.013 30 20 DBED C#CCNC[C@H]1CN(C(=O)Cn2cccc(C)c2=O)CCCO1 1200501277 PCMPNLVGWZZOSR-HNNXBMFYSA-N 317.389 -0.003 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC(N[C@@H]2CCC(=O)NC2=O)CC1 1200532757 XSCBRJHNECDQRS-WCQYABFASA-N 321.377 -0.590 30 20 DBED C=CCNC(=O)CN[C@@H]1C[C@@H](NC(=O)CC(=O)NC)C12CCC2 1202806570 VYLVFDOPTKEOSK-VXGBXAGGSA-N 322.409 -0.558 30 20 DBED CC#CCNC1CCN(C(=O)CCS(=O)(=O)N(C)C)CC1 1203846705 GDMSEHOZMUNEIP-UHFFFAOYSA-N 315.439 -0.128 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)Cc2ccon2)[C@H](C)C1 1206690044 QTWUKQSKMZPUKO-DGCLKSJQSA-N 304.350 -0.597 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2CCCOC2)C1 1207660892 QWLSSLSDAKYXGA-CHWSQXEVSA-N 308.382 -0.367 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC[C@@H](NCc2nnn(C)n2)C1 1208018487 PNTDDXQAEOHAKV-VXGBXAGGSA-N 306.370 -0.671 30 20 DBED C=CCCN[C@H]1CCCN(C(=O)Cn2cnc(C(N)=O)n2)C1 1208073306 HQZLQIZKFOWNPC-NSHDSACASA-N 306.370 -0.466 30 20 DBED CCN1CCOC[C@@H]1C(=O)N1CCC[C@H](NCC#CCOC)C1 1208459662 GJUZJSHIOZUAOG-JKSUJKDBSA-N 323.437 -0.063 30 20 DBED C=C(Cl)CN[C@@H]1CCCN(C(=O)CS(=O)(=O)NC)C1 1211126326 QIBZDAVIROMWCG-SNVBAGLBSA-N 309.819 -0.131 30 20 DBED Cc1cc(C(=O)N2C[C@@H](NCC(=O)NCC#N)[C@H](C)C2)no1 1214102668 QJNJXBIQQPQMBK-BXKDBHETSA-N 305.338 -0.327 30 20 DBED C#CCCN[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CCOC)C2)C[C@H]1C 1214757173 DBRYNEMQJHESEE-QLFBSQMISA-N 321.421 -0.059 30 20 DBED C#CCCCC(=O)N1CCO[C@@H]2CN([C@@H]3CCNC3=O)C[C@@H]21 1217758341 KILDFBWPWVUDID-HZSPNIEDSA-N 305.378 -0.410 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)CCc2cncnc2)C1 1220011304 QAUZNWSOIFKBQX-CABCVRRESA-N 320.393 -0.227 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)[C@@H](CCC)S(N)(=O)=O)C1 1220068862 QQJVCJHRCRZOLA-GRYCIOLGSA-N 319.427 -0.819 30 20 DBED N#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C2(C3CC3)CCC2)C1 1220074013 SSRIQAGUZDWJJU-OLZOCXBDSA-N 320.393 -0.632 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2nncs2)C[C@@H]1O 1221145736 JYRQGBLLDUCOEQ-MXWKQRLJSA-N 312.395 -0.210 30 20 DBED C#CCCN[C@@H]1CCCC[C@H]1NC(=O)C[C@H](NC(C)=O)C(N)=O 1228960732 ADNPRRAKOPURJR-MCIONIFRSA-N 322.409 -0.593 30 20 DBED CCOCCNC(=O)CN1CC[C@H]1CN(C)C(=O)[C@H](C)C#N 1231246854 INFWEEVLNSNTRX-OLZOCXBDSA-N 310.398 -0.169 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)[C@@H]1CCCCO1 1233682398 DYLXIFJWLZUGIY-KBPBESRZSA-N 307.394 -0.162 30 20 DBED CC(=O)N1CCC[C@@H](CNC(=O)C(=O)N2CC[C@@](F)(C#N)C2)C1 1322727797 MIQJYSZNCYQAKZ-SWLSCSKDSA-N 324.356 -0.175 30 20 DBED CC(C)N1CC[C@H](NC(=O)C(=O)N2CC[C@@](F)(C#N)C2)C1=O 1322791820 GRZYRGJKGVCUAZ-IINYFYTJSA-N 310.329 -0.424 30 20 DBED Cc1noc(CCCNC(=O)C(=O)N2CCO[C@@H](C#N)C2)n1 1323107033 HNVONMIHCGAYRH-JTQLQIEISA-N 307.310 -0.822 30 20 DBED N#Cc1cccc(NC(=O)C(=O)NCCn2cnc(C#N)n2)c1 1323346127 INWUTFWLWVQJOY-UHFFFAOYSA-N 309.289 -0.224 30 20 DBED C=CCN(C(=O)C(=O)NC1CC(NS(C)(=O)=O)C1)C(C)C 1324388128 LZDUKCAGMDQGJR-UHFFFAOYSA-N 317.411 -0.394 30 20 DBED CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N2CCO[C@H](C#N)C2)C1 1325153951 RTLAESRCSGBDPC-CHWSQXEVSA-N 308.382 -0.322 30 20 DBED Cc1ccnn1CC(=O)NCCN/C(O)=C1\N=CC=CC1=O 1329826572 QFNNGMOQJAESPI-BUHFOSPRSA-N 303.322 -0.166 30 20 DBED C#CCOCCn1nnnc1N1CCC(NC(=O)NC)CC1 1334393873 RTNCQEUZFAWKMM-UHFFFAOYSA-N 307.358 -0.779 30 20 DBED C=C(C)COCCNC(=O)C(=O)Nc1cnn(CC(=O)NC)c1 1334539061 JBFFSFDYOVYQKV-UHFFFAOYSA-N 323.353 -0.724 30 20 DBED C=CCS(=O)(=O)CCn1nnnc1N1CCCO[C@H](C)C1 1334770179 PCEBZUWVSOCCAL-LLVKDONJSA-N 315.399 -0.111 30 20 DBED C=CCCSCCn1nnnc1N1CCO[C@H](C(N)=O)C1 1335021588 UMPSAYQSGQRECP-JTQLQIEISA-N 312.399 -0.327 30 20 DBED CCC(=O)c1ccc(NC(=O)C(=O)NCC(=O)NCC#N)cc1 1335283943 XQYHKCCLYLPHMU-UHFFFAOYSA-N 316.317 -0.026 30 20 DBED C#CCSCCNC(=O)C(=O)NCC(=O)N1CCCCC1 1342512287 RZLKVSUJTQCTQI-UHFFFAOYSA-N 311.407 -0.402 30 20 DBED C#CCCCCNC(=O)C(=O)NC[C@@H](C)CN1CCN(C)CC1 1345203638 IVSFIDHTMRWHCO-OAHLLOKOSA-N 322.453 -0.094 30 20 DBED C[C@@]1(C(=O)NCCn2cc(C#N)c(O)nc2=O)CCCCO1 1363127782 JKCVRNWNBFPFPC-AWEZNQCLSA-N 306.322 -0.104 30 20 DBED N#Cc1cn(CCNC(=O)CCc2ncccn2)c(=O)nc1O 1363129600 UKNYVGCXTNOBCR-UHFFFAOYSA-N 314.305 -0.640 30 20 DBED COC(=O)C1(NS(=O)(=O)CC2(C#N)CC2)CCOCC1 1364841368 CYOHTBLIXVXYPS-UHFFFAOYSA-N 302.352 -0.068 30 20 DBED CCOC(=O)CC1(NS(=O)(=O)N(C)[C@@H](C)CC#N)COC1 1365006557 TULXAKXHGUQGRH-JTQLQIEISA-N 319.383 -0.223 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N(C)CCn1cnnc1 1365455427 KNPADQQXAHFBJO-LLVKDONJSA-N 300.388 -0.064 30 20 DBED CN(CCC#N)S(=O)(=O)NC[C@@H](CO)Cc1cnn(C)c1 1365718248 RDPMFVYQQADCHV-LBPRGKRZSA-N 315.399 -0.749 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNCC(=O)N(C)c1ccccc1 1379192126 VZKIRJGRHNMXGN-JSGCOSHPSA-N 318.377 -0.124 30 20 DBED CO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1NC(=O)CCn1ccnc1 1384801069 SBCLWWQRQOQAQL-JHJVBQTASA-N 319.365 -0.225 30 20 DBED Cc1nn(C)c(=O)c(C(=O)NC[C@@H](C)NC(=O)[C@@H](C)C#N)c1C 1386417352 VHRVUSOPLILBPO-DTWKUNHWSA-N 319.365 -0.209 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](C)NC(=O)c1cc(C(N)=O)ccn1 1387086089 NCVYHPFJMOGIAS-DTWKUNHWSA-N 303.322 -0.425 30 20 DBED CS[C@@H](C)C(=O)NC[C@@H](O)CNC(=O)c1c[nH]c(C#N)c1 1389067943 PMBPXJJHBSAOSI-GZMMTYOYSA-N 310.379 -0.155 30 20 DBED COCCN(CCNC(=O)[C@@H](C)C#N)C(=O)Cc1cnc[nH]1 1396175933 WXPCJQUEEDZSGI-NSHDSACASA-N 307.354 -0.297 30 20 DBED CCS(=O)(=O)CC(=O)N[C@H]1C[C@@H](CNC(=O)[C@H](C)C#N)C1 1396536960 FECTYVWARDPNQQ-MXWKQRLJSA-N 315.395 -0.408 30 20 DBED C[C@H](C#N)C(=O)NCCN1CCN([C@H](C)c2nncn2C)CC1 1402101565 JYLNHBSPXRMQHO-CHWSQXEVSA-N 319.413 -0.230 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CCN(C(=O)c2ccc(=O)n(C)c2)C1 1407557791 PZBUMEDWMFCLKM-CMPLNLGQSA-N 302.334 -0.124 30 20 DBED CNC(=O)NCC(=O)NC[C@H]1CCCN(C(=O)[C@H](C)C#N)C1 1407936254 DVEAVADJOQCGER-GHMZBOCLSA-N 309.370 -0.570 30 20 DBED COCC(=O)N(C)CC(=O)NCCN(C(=O)[C@H](C)C#N)C1CC1 1408920839 ZQQUNXCQFVIXDS-LLVKDONJSA-N 324.381 -0.642 30 20 DBED COC(=O)NCC(=O)N1CC[C@]2(CCN(C(=O)[C@H](C)C#N)C2)C1 1410858439 BELQEZLBJYELOX-ABAIWWIYSA-N 322.365 -0.047 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)CCc2cncn2C)C1 1413980167 UWNIHTGCYYHSFO-CYZMBNFOSA-N 319.365 -0.800 30 20 DBED C[C@@H]1CN(Cc2cc(O)n3ncc(C#N)c3n2)CC(=O)N1C 1421730269 XKFXRUKXJNHEQD-SECBINFHSA-N 300.322 -0.031 30 20 DBED C[C@@H](C#N)C(=O)NCC1CCN(C(=O)c2cnnn2C)CC1 1427595408 RMZZKHJABKDFED-JTQLQIEISA-N 304.354 -0.057 30 20 DBED CN(CCNC(=O)c1cnc(O)n1C)C(=O)c1c[nH]c(C#N)c1 1431413999 OPMPQKJCSCTORQ-UHFFFAOYSA-N 316.321 -0.173 30 20 DBED N#Cc1ccc(C(=O)N2CC(NC(=O)CNC(=O)C3CC3)C2)[nH]1 1450280601 RILPUUUVHYCOJD-UHFFFAOYSA-N 315.333 -0.647 30 20 DBED CCC1(C(=O)NC[C@H](O)CNC(=O)[C@@H](C)C#N)CCOCC1 1452393725 WJPHCVXGEHEVOA-NWDGAFQWSA-N 311.382 -0.054 30 20 DBED CCCS(=O)(=O)CC(=O)NC[C@@H](C)NC(=O)[C@H](C)C#N 1452678997 GKROPVGUSUEWHK-NXEZZACHSA-N 303.384 -0.408 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)Cn1cnnn1 1452797166 QITPBNBCKUCNNY-HBNTYKKESA-N 305.342 -0.624 30 20 DBED CC(=O)NCC(C)(C)C(=O)NCC1CN(C(=O)[C@H](C)C#N)C1 1456531505 NALUNAWZWNERSQ-SNVBAGLBSA-N 308.382 -0.117 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)COc2cnn(C)c2)CC1 1459100976 YRKRWCCXHBJKST-JTQLQIEISA-N 305.338 -0.276 30 20 DBED Cn1c(=O)[nH]c(N2CCC(N3CCCC3=O)CC2)c(C#N)c1=O 1472690013 IOJYXJNQYUSDPS-UHFFFAOYSA-N 317.349 -0.464 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CCCOCC2)C1 1491721427 JCBKVLBIONBSQL-KBPBESRZSA-N 307.394 -0.257 30 20 DBED C=CCCOCC(=O)N[C@@H]1CCCN(Cc2nnn(C)n2)C1 1494301578 QDGREWYCKIBUQV-GFCCVEGCSA-N 308.386 -0.117 30 20 DBED CC(C)n1ccc(C(=O)NC[C@H](O)CNC(=O)[C@@H](C)C#N)n1 1533320504 LICNSVRPYFRYAV-WDEREUQCSA-N 307.354 -0.169 30 20 DBED N#Cc1cn(CCNC(=O)[C@H](C(=O)O)C2CC2)c(=O)nc1O 1574493815 RNUXLLVBNBSYQC-SECBINFHSA-N 306.278 -0.952 30 20 DBED CS(=O)(=O)c1ccc(N)c(C(=O)N2CCNC[C@@H]2C#N)c1 1579350013 IVARZTULROQNNH-VIFPVBQESA-N 308.363 -0.390 30 20 DBED COC(=O)[C@@H]1CCN(c2cnc(-c3nn[nH]n3)c(C#N)n2)[C@@H]1C 1579442151 BHGIWRAJKRSJSP-HTQZYQBOSA-N 314.309 -0.084 30 20 DBED C#C[C@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)o1)[C@H]1CCCO1 1588328433 HAVGORTXDBESOD-DTWKUNHWSA-N 323.334 -0.081 30 20 DBED C#CCCS(=O)(=O)NCCNc1ncccc1-c1nn[nH]n1 1588347172 JTNCBJSFRWTEAS-UHFFFAOYSA-N 321.366 -0.384 30 20 DBED C#CC[C@@H](NC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O)C(=O)O 1588404662 FEFCXMBPDQVKTJ-YMTOWFKASA-N 307.306 -0.700 30 20 DBED C[C@@]1(CC(=O)N(CC#N)CCC(=O)O)CCS(=O)(=O)N1 1593996141 ITRUISWEOMACLE-NSHDSACASA-N 303.340 -0.715 30 20 DBED N#C[C@@H](NC(=O)C1(C(=O)O)CCS(=O)(=O)CC1)C1CC1 1594602300 VRICFHXGNYRVLE-SECBINFHSA-N 300.336 -0.316 30 20 DBED N#C[C@@]12CN(C(=O)NCCC(=O)O)C[C@H]1CS(=O)(=O)C2 1594610917 ISUCLNMZFMZLFP-KWQFWETISA-N 301.324 -0.959 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@H]1CCO[C@H]1C(=O)O 1596231796 ULSRCZNLXYFNJG-GMTAPVOTSA-N 319.383 -0.208 30 20 DBED C[C@H]1CN(S(=O)(=O)N2CCO[C@H](C#N)C2)C[C@]1(C)C(=O)O 1599930841 FDAKHHAFRBPOSM-UMNHJUIQSA-N 317.367 -0.502 30 20 DBED Cc1c(NC(=O)C(=O)N(C)C[C@H](C)C#N)cnn1CC(=O)O 1600023258 HKEPRSGLMYPUBH-MRVPVSSYSA-N 307.310 -0.167 30 20 DBED N#CC1(NC(=O)CN2C[C@H]3COCC[C@@]3(C(=O)O)C2)CCC1 1601057350 VLLUSWZLQHZAEH-XHDPSFHLSA-N 307.350 -0.028 30 20 DBED N#C[C@@]12CN(c3ccnc(C(=O)O)n3)C[C@H]1CS(=O)(=O)C2 1601079661 PRXSQDRMEHJVLX-UFBFGSQYSA-N 308.319 -0.451 30 20 DBED C#CCC1(NC(=O)Cn2cnc(-c3nn[nH]n3)n2)CCOCC1 1602699861 MEMJIFZVYSMWEL-UHFFFAOYSA-N 316.325 -0.853 30 20 DBED C#CCN(C)CCCNC(=O)c1ccc(-c2nn[nH]n2)n1C 1602716540 HFJNQUCJOVILLN-UHFFFAOYSA-N 301.354 -0.110 30 20 DBED C=CCNC(=O)CN1CCC2(C1)CN(C(=O)[C@H]1C[C@H]1C(=O)O)C2 1602901244 CXXFRPVOOKMHBJ-NWDGAFQWSA-N 321.377 -0.456 30 20 DBED N#Cc1cncc(S(=O)(=O)Nc2n[nH]cc2-c2nn[nH]n2)c1 1606390388 UGCZDFMOFMVNFM-UHFFFAOYSA-N 317.294 -0.343 30 20 DBED N#CCc1ccc(S(=O)(=O)NCCN2CCNC(=O)C2)cc1 1649744886 IAGLODGIOULMBN-UHFFFAOYSA-N 322.390 -0.537 30 20 DBED C=CCNC(=O)[C@H](C)N[C@H]1C[C@H](NC(=O)CCc2cnn[nH]2)C1 1752665906 YGTVCNBLEXCQLQ-DRZSPHRISA-N 320.397 -0.335 30 20 DBED C[C@H](NC(=O)CCNS(C)(=O)=O)[C@@H]1CCCN(CC#N)C1 1752835422 FQECDZBFTBPCFH-NWDGAFQWSA-N 316.427 -0.334 30 20 DBED CCCn1cc(C(=O)NCCN(C)CC(=O)NCC#N)cn1 1753068279 XXHXGLRRDLDWKZ-UHFFFAOYSA-N 306.370 -0.406 30 20 DBED CCN(CCNC(=O)c1c(C)nn(C)c1F)CC(=O)NCC#N 1753093817 KRWHCFUVGGQNAN-UHFFFAOYSA-N 324.360 -0.441 30 20 DBED C#Cc1ccc(C(=O)N(C)CCNCCNS(C)(=O)=O)nc1 1753252619 FYXGERCWMXHJRF-UHFFFAOYSA-N 324.406 -0.726 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC(NC(=O)[C@@H]2CCNC(=O)CC2)C1 1753382787 WDUAHQRFMIGWJS-NEPJUHHUSA-N 322.409 -0.606 30 20 DBED C#CCNC(=O)CN1CC[C@H](N(C)C(=O)CC2(O)CCC2)C1 1753436483 ALDQPHIREVTMPN-ZDUSSCGKSA-N 307.394 -0.426 30 20 DBED COc1nc(C(=O)NC[C@@H](C)CNCC(=O)NCC#N)co1 1753626949 JARBXYSEKKTBQI-VIFPVBQESA-N 309.326 -0.722 30 20 DBED C=CCNC(=O)[C@H](C)NCCN(CC)C(=O)[C@H]1CCCNC1=O 1754050727 JIFDCCLZABMQMN-STQMWFEESA-N 324.425 -0.359 30 20 DBED COCC#CCNC/C=C\CNC(=O)c1ccc(C(N)=O)cn1 1754213570 WPOLJUSOAQCXGA-IHWYPQMZSA-N 316.361 -0.294 30 20 DBED Cc1nc(C(=O)N[C@H](CNCC#N)C2CC2)nn1-c1nc[nH]n1 1754447408 DXCQHKMTSZZPRL-SNVBAGLBSA-N 315.341 -0.685 30 20 DBED CCCC[C@H](C(N)=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1754767451 MHSJMNGUASYPPX-CYBMUJFWSA-N 307.394 -0.393 30 20 DBED C=CCCC(=O)N1C[C@@H]2CN(CCNS(C)(=O)=O)C[C@@H]2C1 1754839940 JKSOOFUNAUNPKI-BETUJISGSA-N 315.439 -0.108 30 20 DBED CC(C)C#CC(=O)N1CCO[C@H](CNCC(=O)NCC#N)C1 1755002070 KEHXEBXAQWHSTL-CYBMUJFWSA-N 306.366 -0.897 30 20 DBED C#CCCN(C)CCCN(C)C(=O)CN1CC(=O)N(C)C1=O 1755044125 MPYZGSXWAMBPID-UHFFFAOYSA-N 308.382 -0.316 30 20 DBED C=CCOCC(=O)N1CCO[C@H]([C@@H](C)NCC(=O)NCC#N)C1 1755438663 KJTMSYBSTWXGOF-OLZOCXBDSA-N 324.381 -0.966 30 20 DBED C#CCCCC(=O)N[C@H]1C[C@H](CN[C@H](C)C(=O)NC(N)=O)C1 1755470250 RDFLPSPPPLHZPO-IJLUTSLNSA-N 308.382 -0.142 30 20 DBED CCCn1nnnc1CN[C@@H](CO)CNC(=O)C#CC(C)(C)C 1755628529 UMBXKZQUPRMYMT-GFCCVEGCSA-N 322.413 -0.301 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H](CO)CNC(=O)c1nocc1C 1756568147 MRVZDMGSOVLCRY-QMTHXVAHSA-N 311.338 -0.483 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(C(=O)c2c(C)cnn2C)C[C@H]1O 1756992609 XZALZWFUFIYZRW-CHWSQXEVSA-N 318.377 -0.166 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(C(=O)c2cc[nH]n2)C[C@H]1O 1757008944 NYBKPFUKUHSVIX-VXGBXAGGSA-N 308.338 -0.696 30 20 DBED CC#CCCCC(=O)N[C@@H]1CN(C(=O)[C@H]2COCCO2)C[C@H]1O 1757025043 WDECUQGRAQLYOO-MGPQQGTHSA-N 324.377 -0.717 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC23CC3)C1 1757331784 JXKWLIUHFMLHMG-XQQFMLRXSA-N 317.389 -0.063 30 20 DBED Cn1cc(C(=O)O)cc1C=NN=c1nc2[nH][nH]cc-2c(O)n1 1776042301 CBBOIBCWNNKORH-UHFFFAOYSA-N 301.266 -0.085 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)n1ccnn1)CCO2 1783054599 IMGDONOMPDHHRQ-DOMZBBRYSA-N 317.349 -0.698 30 20 DBED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN(C)C)C[C@@H]21 1790790607 QUPCDMUUVRKMMR-IHRRRGAJSA-N 307.394 -0.449 30 20 DBED N#CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)no1 1798200907 OAXCGRPKGCIFBH-YFKFIEJBSA-N 320.305 -0.503 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)n1cccn1)C2 1800456011 HCIQTZAISPTDSJ-GUIRCDHDSA-N 316.361 -0.333 30 20 DBED COC(C)(C)C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846194385 AAMCRKJGFZSFPI-UHFFFAOYSA-N 308.334 -0.297 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)CNC(=O)COc1ccccc1 21570424 KBVMUSBQMIEEBI-LBPRGKRZSA-N 318.329 -0.137 30 20 DBED CS(=O)(=O)NCCN(CCC#N)CCN1CCOCC1 81158571 HMMZESNOUJFEFE-UHFFFAOYSA-N 304.416 -0.917 30 20 DBED CN1C(=O)C(=O)N(CC(=O)N[C@@H](C#N)C2CCCCC2)C1=O 267265210 OZQPZXVXFCRLJD-JTQLQIEISA-N 306.322 -0.004 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N1CCS(=O)(=O)C[C@H](C)C1 277587141 WJTPGJAXWAXFSZ-GHMZBOCLSA-N 317.411 -0.247 30 20 DBED COC(=O)C[C@H](NS(=O)(=O)N(C)[C@@H](C)CC#N)C(=O)OC 282977192 LUZVIRXAPVJYGR-IUCAKERBSA-N 321.355 -0.841 30 20 DBED CCNC(=O)CC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 330766004 KJTFGQZYNYKBMG-NSHDSACASA-N 316.365 -0.088 30 20 DBED CC(C)N1CC[C@@H](N/C(O)=N/[C@H](C)CS(C)(=O)=O)C1=O 330778889 BYQYECYNNVDMJC-NXEZZACHSA-N 305.400 -0.068 30 20 DBED CC(=O)NC[C@H]1CN(S(=O)(=O)N(C)C[C@@H](C)C#N)CCO1 337082252 ZIGYVOJJZULYRI-JQWIXIFHSA-N 318.399 -0.840 30 20 DBED CN([C@@H]1CCCC[C@@H]1O)S(=O)(=O)N1CCO[C@@H](C#N)C1 337181867 MTPRLHTUBQSERM-TUAOUCFPSA-N 303.384 -0.309 30 20 DBED N#CCC1(O)CN(C(=O)CCNS(=O)(=O)c2ccccc2)C1 352205631 NWMOYVLBHRCOAV-UHFFFAOYSA-N 323.374 -0.158 30 20 DBED COC(=O)CCN1CC[C@H](NC(=O)c2cnn(C)c2C#N)C1=O 356592828 HLPQVTVNPZMSFG-JTQLQIEISA-N 319.321 -0.814 30 20 DBED C=CCNC(=O)CNC(=O)N[C@@H]1CCOC[C@@H]1OCCOC 362767395 XZHBKLKXHPCVFA-NEPJUHHUSA-N 315.370 -0.592 30 20 DBED Cn1cc(N2CC[C@H](NC(=O)N3CCO[C@@H](C#N)C3)C2=O)cn1 408186491 UJNPQCQGZGOKGD-RYUDHWBXSA-N 318.337 -0.541 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H](CO)[C@H]2C)C1=O 414089462 ZDQBKXKEBXVDGC-MNOVXSKESA-N 323.349 -0.417 30 20 DBED CS(=O)(=O)N[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](N)CCCC#N 424186449 HLFBYXSTIZKIDI-SDDRHHMPSA-N 316.427 -0.016 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CCCC[C@@H]2CN)nn1 424547528 ORKIDLOIMSUHQI-GFCCVEGCSA-N 306.370 -0.580 30 20 DBED COC(=O)N1CC(NC(=O)C(=O)Nc2cc(C)c(C#N)cn2)C1 496890801 IYLGCHLDVHMEGA-UHFFFAOYSA-N 317.305 -0.233 30 20 DBED C=CCCn1cc(C(=O)NCC(=O)N2CCN(CC)CC2)nn1 518192984 CTIRWZLGRJKPRV-UHFFFAOYSA-N 320.397 -0.252 30 20 DBED CN(C)C[C@@](C)(C#N)NC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O 577563675 KWISVTPDJUWNQN-CABCVRRESA-N 321.381 -0.333 30 20 DBED C[C@](O)(CN1Cc2ccccc2C1=O)C(=O)NCC#CCO 581676119 NOEYOHQNPJHHDF-INIZCTEOSA-N 302.330 -0.495 30 20 DBED C[C@@H]1CN(C(=O)C(=O)NC2CCN(CC#N)CC2)[C@H](C)CO1 588128970 VSCAYFKCLIYBJC-VXGBXAGGSA-N 308.382 -0.274 30 20 DBED CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)N(C)CC(C)(C)C#N 596747829 KALPWHIOTUFPTG-UWVGGRQHSA-N 303.384 -0.010 30 20 DBED COC(=O)C[C@H]1C(=O)NCCN1C(=O)c1ccc(C#N)cn1 609344392 NVXYOBBZTACDLS-NSHDSACASA-N 302.290 -0.543 30 20 DBED N#C[C@]1(F)CCN(C(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)C1 615595143 ODOVPIXEEXTRRH-NENBDWHOSA-N 321.308 -0.387 30 20 DBED CC(=O)NCC(=O)NCC(=O)N[C@@H]1CCc2cc(C#N)ccc21 618892834 QTDVPRFUXAFJQY-CQSZACIVSA-N 314.345 -0.086 30 20 DBED C=CC[C@@H](CO)CNC(=O)[C@H]1CCCN1C(=O)CNC(C)=O 678800515 IQHFLDKDQIJMEU-CHWSQXEVSA-N 311.382 -0.586 30 20 DBED C=CCOCC(=O)OCCn1cnc2c1c(=O)n(C)c(=O)n2C 729765867 TYTMOHQZLBDWQN-UHFFFAOYSA-N 322.321 -0.821 30 20 DBED COCCOc1ccc(C=NNC(=S)NCC(N)=O)cc1 731930207 RHEIBEOYJGHFFN-UHFFFAOYSA-N 310.379 -0.005 30 20 DBED N#Cc1cccc(NC(=O)C(=O)N2CCO[C@@H](C(=O)O)C2)c1 739134239 YOZMZLXKCJVVHV-LLVKDONJSA-N 303.274 -0.191 30 20 DBED C#CCNS(=O)(=O)N1CCN(C[C@@H](C#N)CCC#N)CC1 761030218 FETTWCALORCLSC-CYBMUJFWSA-N 309.395 -0.485 30 20 DBED C#CCN(C(=O)NCCS(=O)(=O)N1CCOCC1)C1CC1 764701526 MAHLTWCNLHRLBF-UHFFFAOYSA-N 315.395 -0.544 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@@H](C)Cn1cccn1)[C@@H]1CCCO1 774146227 JEXOOLGFZXRMNH-AVGNSLFASA-N 304.350 -0.315 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@H](C#C)[C@H]1CCCO1)[C@H]1CCCO1 775429477 YDLQLCJUWZVNOI-XJFOESAGSA-N 304.346 -0.420 30 20 DBED CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)OCC(=O)NCC#N 786764305 KASHWHRRWBCHRO-QMMMGPOBSA-N 309.244 -0.128 30 20 DBED C=CCNc1nnc(S(=O)(=O)CCS(C)(=O)=O)s1 790166870 FHFMFVCDCLKVGP-UHFFFAOYSA-N 311.410 -0.046 30 20 DBED Cc1ccn(CN(C)[C@@H]2CCN(S(C)(=O)=O)C2)c(=O)c1C#N 793570123 SQZRVLDVNXZJCQ-GFCCVEGCSA-N 324.406 -0.048 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=S)NCCNS(C)(=O)=O 797792004 JBYXICYGLLURTL-MNOVXSKESA-N 321.468 -0.019 30 20 DBED C#CCC[C@@H](O)CNC(=O)Cc1ccc(S(N)(=O)=O)s1 799083704 KFBNVQIZWVVBLP-SECBINFHSA-N 316.404 -0.172 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N[C@H](C)C(=O)NCCF 799971020 PGQYAYBTKBDFQJ-SECBINFHSA-N 309.363 -0.639 30 20 DBED N#CCCN(CCC#N)C(=O)COC(=O)[C@H]1CCCC(=O)N1 800242395 COADZZVYSIOZOY-LLVKDONJSA-N 306.322 -0.146 30 20 DBED C#Cc1cccc(CNC(=O)C(=O)N(C[C@H](C)O)[C@@H](C)CO)c1 817846108 MYQMPRYSPIGPEP-STQMWFEESA-N 318.373 -0.126 30 20 DBED Cn1cc(C#N)cc1C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[nH]1 822668969 FBYRALXDGNZGLV-UHFFFAOYSA-N 308.265 -0.076 30 20 DBED COC(=O)[C@H]1C[C@@H](O)CN1C(=O)C#Cc1ccc2c(c1)OCO2 830370820 CBCQWUNCLSTELD-VXGBXAGGSA-N 317.297 -0.098 30 20 DBED C#CCNS(=O)(=O)N1CCN(Cc2ccnc(C)c2)CC1 856731643 RKDOTPGTUJLTDC-UHFFFAOYSA-N 308.407 -0.025 30 20 DBED N#Cc1c(F)cccc1S(=O)(=O)N1C[C@@H](CO)[C@H](CO)C1 859267460 ZSDYYNDKEHFYRD-UWVGGRQHSA-N 314.338 -0.081 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1 859899390 MHNCVKBWGMDDKR-WDEREUQCSA-N 318.333 -0.546 30 20 DBED CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1cccc(C#CCO)c1 912398127 ZCQYKTKCCOQNSM-UONOGXRCSA-N 323.370 -0.428 30 20 DBED CN(C)CC#CCNC(=O)CNS(=O)(=O)c1cccs1 913517158 VGRSPIADRCLNLV-UHFFFAOYSA-N 315.420 -0.292 30 20 DBED CN1CC[C@@H]2CC[C@H](C1)N2S(=O)(=O)N1CCO[C@H](C#N)C1 919842052 LDCZNJYKWLOVFA-YNEHKIRRSA-N 314.411 -0.376 30 20 DBED C#CCN(C)CCCNC(=O)N1CCC[C@@H](S(N)(=O)=O)C1 922626729 FLRVIXFEDVWLTE-GFCCVEGCSA-N 316.427 -0.596 30 20 DBED CN(C(=O)C1CS(=O)(=O)C1)[C@@H]1CCN(C(=O)C#CC2CC2)C1 937352585 JRFIAAJSSQOZSH-CYBMUJFWSA-N 324.402 -0.496 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](NC(=O)c2coc(C(N)=O)c2)C1 938301048 MDOJVCGGXBIWCK-SCZZXKLOSA-N 304.306 -0.131 30 20 DBED C[C@@H]1CN(C(=O)c2cnn3c(=O)cc[nH]c23)C[C@H]1NCC#N 939276225 BVXIPMPTURCJJL-MWLCHTKSSA-N 300.322 -0.404 30 20 DBED C#Cc1ccc(C(=O)N(C)[C@@H]2CCN(C(=O)C(N)=O)C2)cn1 939369922 UFUQWYATKUJKOC-GFCCVEGCSA-N 300.318 -0.779 30 20 DBED CCn1cc(C(=O)NC[C@@H]2CN(C(=O)[C@H](C)C#N)CCO2)nn1 944750499 IQYZTEPGKQVFGL-GHMZBOCLSA-N 320.353 -0.585 30 20 DBED C#Cc1cncc(C(=O)N2CCC(NC(=O)C(N)=O)CC2)c1 948292943 LUIULCKUVVFRSU-UHFFFAOYSA-N 300.318 -0.731 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CNC(=O)[C@@H]2CCNC2=O)CC1 949394548 VNSMXHCOPSAWFW-ZYHUDNBSSA-N 306.366 -0.363 30 20 DBED C=CCN1CC[C@@H](N2CCN(C(=O)[C@H]3CCNC3=O)CC2)C1=O 949641814 AEXQNTAUQDPTFA-QWHCGFSZSA-N 320.393 -0.946 30 20 DBED O=C1CC[C@H](C(=O)N[C@@H]2CCCN(C(=O)C#CC3CC3)C2)N1 950758893 OGDGLSPGZSLPTE-CHWSQXEVSA-N 303.362 -0.214 30 20 DBED CCN(C(=O)c1cnn2c(=O)cc[nH]c12)C1CN(CC#N)C1 952423332 XBBKMFPDMZQJDF-UHFFFAOYSA-N 300.322 -0.308 30 20 DBED C#Cc1ccc(C(=O)N2CC(N(C)C(=O)c3cnnn3C)C2)cn1 954184317 AGFWWQBERNLZAK-UHFFFAOYSA-N 324.344 -0.212 30 20 DBED C[C@H](C(=O)N(C)C1CN(C(=O)C#CC2CC2)C1)[C@@H]1CCC(=O)N1 955409547 FCDFXLNPLFNTDA-FZMZJTMJSA-N 317.389 -0.016 30 20 DBED C[C@@]1(NC(=O)[C@H]2CCNC2=O)CCN(C(=O)C#CC2CC2)C1 957269612 JYMWXVWUXGHCQG-BLLLJJGKSA-N 303.362 -0.357 30 20 DBED C=CCN1C[C@H](O)[C@H](CNC(=O)c2cnn3ccncc23)C1 958145560 MYIIFEMNPQCAQT-RISCZKNCSA-N 301.350 -0.062 30 20 DBED CC#CCN1C[C@H](O)[C@H](CNC(=O)c2ccnn2CCOC)C1 958171032 FWGKCGHHQYFPHN-HIFRSBDPSA-N 320.393 -0.425 30 20 DBED N#CCN1C[C@H](O)[C@H](CNC(=O)C23CCCN(CCC2)C3)C1 958171790 MFASVHHKHBNRRH-KGLIPLIRSA-N 306.410 -0.205 30 20 DBED C#CCN1C[C@H](CNC(=O)c2ccc(N(C)C)nc2)[C@@H](O)C1 958203905 VSYYZNJQPQEEDT-KBPBESRZSA-N 302.378 -0.197 30 20 DBED C#CCCN1C[C@@H](O)[C@@H](CNC(=O)c2c(O)nnc(C)c2C)C1 958313056 IWBKXJZARKZNMP-QWHCGFSZSA-N 318.377 -0.155 30 20 DBED C#CCCN1C[C@H](O)[C@H](CNC(=O)c2cc(COC)on2)C1 958459405 PNOSUFQDHLODQK-RISCZKNCSA-N 307.350 -0.133 30 20 DBED C[C@@H](NC(=O)c1cc(C#N)c[nH]1)[C@@H]1CCN(C(=O)CC(N)=O)C1 959097022 SXIWBNBIXQZBOC-MWLCHTKSSA-N 317.349 -0.271 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)c1cc[n+]([O-])cc1 964069321 GVBSROOAAVDUBF-DGCLKSJQSA-N 318.333 -0.563 30 20 DBED C[C@H](C#N)C(=O)N1CCC2(CC1)C[C@H]2NC(=O)c1nnn(C)n1 964671904 NGUDNHQJNFQIHE-NXEZZACHSA-N 317.353 -0.519 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CN(C(=O)C3=COCCO3)CCO2)C1 965295558 WHKKOPGAKKATLP-LLVKDONJSA-N 321.333 -0.526 30 20 DBED C[C@H](C#N)C(=O)N1CCOC2(CN(C(=O)C3=CCOCC3)C2)C1 965470458 GYQJEDAQYMZIMW-GFCCVEGCSA-N 319.361 -0.067 30 20 DBED Cc1nc[nH]c1C(=O)N[C@H]1COC2(C1)CN(C(=O)[C@@H](C)C#N)C2 965744647 RXNZGZYQDJBGOA-GXSJLCMTSA-N 317.349 -0.023 30 20 DBED O=C1NC[C@@H](C(=O)N2[C@H]3CC[C@H]2CN(C(=O)C#CC2CC2)C3)N1 969775607 JWCCBMKFUYMCIJ-AVGNSLFASA-N 316.361 -0.717 30 20 DBED C#CCCN1CC([C@@H](C)NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 970517779 GITCZKYBJBODJG-LLVKDONJSA-N 318.377 -0.843 30 20 DBED CN(C)[C@@H](Cn1cccn1)C(=O)N1CC[C@@H](N(C)CC#N)C1 971679441 UCUSUKYDTLSVEI-KGLIPLIRSA-N 304.398 -0.130 30 20 DBED CN(CC#N)[C@@H]1CCN(C(=O)CN2CCCCS2(=O)=O)C1 971953879 YDLMBSUKIMLTDT-GFCCVEGCSA-N 314.411 -0.532 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)CCc3nc[nH]n3)C[C@H]21 974973338 FENHJLLHWSEJRT-QJPTWQEYSA-N 316.365 -0.044 30 20 DBED CC#CCN1C[C@H]2C(CNC(=O)c3cn(C)c(=O)nc3O)[C@@H]2C1 979073466 QXRGZQGZCHUXIX-RYUDHWBXSA-N 316.361 -0.583 30 20 DBED C=C(C)CN[C@@H]1CCN(C(=O)CN2CCN(C)C(=O)C2)[C@@H]1C 986443158 YSVZSZDXZRZUMX-ZIAGYGMSSA-N 308.426 -0.085 30 20 DBED C#CCN[C@H]1CCN(C(=O)Cn2nc3ccccn3c2=O)[C@H]1C 986621668 DUSPGOAUSHVSIV-STQMWFEESA-N 313.361 -0.292 30 20 DBED C=CCn1cccc1C(=O)N1CC(NC(=O)[C@@H]2COC(=O)N2)C1 991120161 OTSKQOHCBNIJOY-NSHDSACASA-N 318.333 -0.277 30 20 DBED CC(=O)N1CC(C(=O)NC[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2C)C1 993940766 RLEIZYZPODLBDT-DMDPSCGWSA-N 320.393 -0.165 30 20 DBED C#CCN1CC[C@H](n2cc(CNC(=O)[C@@H]3CCC(=O)N3)nn2)C1 1000035617 PIOXDIRICRVZRI-STQMWFEESA-N 316.365 -0.947 30 20 DBED C[C@@H](C#N)C(=O)N1CC([C@H](C)NC(=O)c2c[nH]c(=O)cn2)C1 1006736489 FYJDIKBTIATINW-IUCAKERBSA-N 303.322 -0.494 30 20 DBED NC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@H]2CC[C@H]1CN2C(=O)C#CC1CC1 1007314361 STWOIMRRWNNYTI-RQJABVFESA-N 315.373 -0.277 30 20 DBED O=C1CC[C@H](C(=O)NCC2[C@H]3CN(C(=O)C#CC4CC4)C[C@H]23)N1 1008895192 ZHRQIOZXOJGFBG-MGPQQGTHSA-N 315.373 -0.501 30 20 DBED N#Cc1ccc(CN2CC[C@H](NC(=O)Cn3cnnn3)C2)cc1 1010106490 MANKKFWYUYYALP-AWEZNQCLSA-N 311.349 -0.065 30 20 DBED C=C1CC(C)(C(=O)N2CCN(C(=O)c3nnn(C)n3)CC2)C1 1012055588 HGPPKXXCPQGVCM-UHFFFAOYSA-N 304.354 -0.149 30 20 DBED C=CCN1CC[C@@H](N[C@H]2CCN(C(=O)[C@H]3CCC(=O)N3)C2)C1=O 1018624697 MWAOFPUWTDJGJN-YNEHKIRRSA-N 320.393 -0.758 30 20 DBED O=C(N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O)c1nccs1 1025278313 VWTJOTDFSPJXAQ-GHMZBOCLSA-N 305.359 -0.142 30 20 DBED C#CCN(C)[C@H]1CCCN(C(=O)CCn2ncn(C)c2=O)C1 1027504392 DAMJJJHPBXCYBO-ZDUSSCGKSA-N 305.382 -0.472 30 20 DBED Cn1nnnc1CN1CC[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 1028471437 YQMMTFGIFVGZEG-SNVBAGLBSA-N 314.353 -0.338 30 20 DBED C#CCN1CC[C@H](CNC(=O)[C@@H]2CN3CC4CC3(CO2)C4)C1 1028698611 OABKHMLPVIKUKS-GJEMEMOUSA-N 303.406 -0.079 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)c3n[nH]cc3C)C2)C1=O 1030289144 QQRXSAXRMLGUDV-GFCCVEGCSA-N 303.366 -0.081 30 20 DBED C=C(Cl)CN1C[C@@H]2C[C@H]1CN2C(=O)c1nnc(O)nc1O 1032499017 PFYTYGQMZPEXKU-YUMQZZPRSA-N 311.729 -0.066 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)c2ccc3nnnn3c2)C1 1035443674 GHTJWEKRXQWMDD-LBPRGKRZSA-N 300.322 -0.812 30 20 DBED C=C(C)CN1C[C@H]2C[C@H]1[C@@H]2NC(=O)CN1C(=O)CN(C)C1=O 1037712772 GWASDMABCFCTOP-UHIISALHSA-N 306.366 -0.355 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2CCN2Cc2cnnn2C)nn1 1038785317 ZCMCOBRLQRAQDJ-LLVKDONJSA-N 316.369 -0.403 30 20 DBED CC#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CN1C(=O)CNC1=O 1039467246 ADEJMPITWHCABW-OLZOCXBDSA-N 318.377 -0.373 30 20 DBED C=CCCCC(=O)NC[C@]1(O)CCN(C(=O)c2cn(C)nn2)C1 1040729455 PPMMWVQGLYGVTK-OAHLLOKOSA-N 321.381 -0.135 30 20 DBED C[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1NC(=O)[C@@H]1COC(=O)N1 1041893181 ZNSSDVAXVZOUKD-IEBDPFPHSA-N 316.321 -0.602 30 20 DBED N#CCN1CC[C@H]2CCN(C(=O)c3nnc(O)nc3O)C[C@H]21 1042133577 KPPWXNVTGORSHY-DTWKUNHWSA-N 304.310 -0.657 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)[C@H]2C[C@@]23CCOC3)C1 1042801929 YTIBRNPKPKIGCL-CZUORRHYSA-N 320.389 -0.094 30 20 DBED Cc1c[nH]nc1C(=O)N1CC(O)(CNC(=O)C#CC(C)C)C1 1042936366 FJTPGCGDJWQPCK-UHFFFAOYSA-N 304.350 -0.319 30 20 DBED C=C(C)CCC(=O)NCC1(O)CN(C(=O)[C@H]2CC(=O)N(C)C2)C1 1043319151 AARKEAMHQDAVDR-LBPRGKRZSA-N 323.393 -0.490 30 20 DBED C[C@@H]1OCC[C@]1(C)C(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1043950301 PPXJNSDWPLGAOU-LRDDRELGSA-N 320.389 -0.096 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)[C@H]2CCO[C@H]2C)C1 1045287331 UQNFZKPEGAQUCX-STQMWFEESA-N 324.377 -0.859 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)c2ccnc(O)c2)C1 1045541312 SWUDSQLCBPWGKG-SECBINFHSA-N 304.306 -0.750 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2cnn3cccnc23)C1 1047481751 GXZRUGUORWFUGP-KBPBESRZSA-N 313.361 -0.130 30 20 DBED COCC1(C(=O)N(C)[C@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)CCC1 1049091254 CWRVDNHSWQTAJB-AGIUHOORSA-N 323.393 -0.007 30 20 DBED COCC(=O)N1CCC[C@@H](N(CCO)c2nccnc2C#N)C1 1049131572 AXJMPFXVKILVBI-GFCCVEGCSA-N 319.365 -0.216 30 20 DBED C=CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2nc[nH]n2)C1 1049196325 JGTCSLYBRKMRRL-QWRGUYRKSA-N 307.354 -0.195 30 20 DBED C=CCCC(=O)N1CC[C@H]([C@H](C)NC(=O)Cn2cnnn2)C1 1050250615 AZVSVJWVRUUWDT-RYUDHWBXSA-N 306.370 -0.008 30 20 DBED N#CCN1CCC2(CC1)CN(C(=O)CN1CCC(=O)NC1=O)C2 1050723515 RERKIDFGFGZIQV-UHFFFAOYSA-N 319.365 -0.624 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)c1c2c(nn1C)CCC2 1051203064 FJLZXGSQXODQRB-LBPRGKRZSA-N 302.378 -0.027 30 20 DBED C[C@H]1CN(C(=O)CNC(N)=O)C[C@@H]1CNC(=O)C#CC1CC1 1051936739 XWKLNOVIZDQDLD-JQWIXIFHSA-N 306.366 -0.721 30 20 DBED C=CCN1CCN([C@@H]2CCN(C(=O)CCn3cnnn3)C2)CC1 1052101411 PWCDGSXTEXALGH-CQSZACIVSA-N 319.413 -0.532 30 20 DBED C[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1CNC(=O)CNC(N)=O 1052548208 MHCXDPXDUZUMSB-CMPLNLGQSA-N 306.366 -0.721 30 20 DBED C#CCN1CCC[C@@H](NC(=O)C2CC3(C2)NC(=O)NC3=O)CC1 1052783159 AZLXBITXVFSWGH-BWBHSNQOSA-N 318.377 -0.422 30 20 DBED CC(C)(C(=O)N1CCOC2(CN(CC#N)C2)C1)S(C)(=O)=O 1053454336 VMVLRZDTNLIPFP-UHFFFAOYSA-N 315.395 -0.754 30 20 DBED CCn1nncc1C(=O)N[C@H]1[C@@H]2CN(c3cnc(C#N)cn3)C[C@@H]21 1056200221 CGUOMWFXRSAREL-YABSGUDNSA-N 324.348 -0.176 30 20 DBED CCn1nncc1C(=O)NC1[C@H]2CN(c3ccc(C#N)nn3)C[C@H]12 1056204209 XPUUDWAYSYPLFR-QWRGUYRKSA-N 324.348 -0.176 30 20 DBED N#Cc1cnc(N2C[C@H]3C(NC(=O)Cn4ccnc4)[C@@H]3C2)cn1 1056245474 NTTXEEKHBZGGIU-VXGBXAGGSA-N 309.333 -0.204 30 20 DBED N#Cc1nccnc1N1C[C@H]2C(NC(=O)Cn3ccnc3)[C@@H]2C1 1056246638 SFPCKXWQMRXTPI-GHMZBOCLSA-N 309.333 -0.204 30 20 DBED N#Cc1nc(=N[C@@H]2CCN(C(=O)Cn3ccccc3=O)C2)cc[nH]1 1056639517 DRPJSXZYJUOAJT-GFCCVEGCSA-N 324.344 -0.355 30 20 DBED C=CCC(C)(C)C(=O)N(CCO)CCNC(=O)c1cn(C)nn1 1057601969 XFKPBSPCKRUZGF-UHFFFAOYSA-N 323.397 -0.032 30 20 DBED C=CCO[C@H](C)C(=O)N(CCO)CCNC(=O)[C@H](C)OCC 1057922111 XHYRWNWXOTYGKK-QWHCGFSZSA-N 316.398 -0.060 30 20 DBED N#Cc1ccc(N2CCC[C@H](NC(=O)[C@H]3COCCO3)C2)nn1 1058120910 ZFKMGHZGOQMISF-QWHCGFSZSA-N 317.349 -0.151 30 20 DBED CN1CCOC[C@H]1C(=O)N[C@H]1CCN(c2ccnc(C#N)n2)C1 1058319607 YDGVJNHOCXWOFX-RYUDHWBXSA-N 316.365 -0.626 30 20 DBED COCC1(CC(=O)NCCN(CCO)C(=O)[C@@H](C)C#N)CC1 1058652924 IJQCGRLQUSJFGY-LBPRGKRZSA-N 311.382 -0.100 30 20 DBED CCc1nocc1C(=O)N(CCO)CCNC(=O)[C@H](C)C#N 1058752857 RACMPSWBHJWFDI-SNVBAGLBSA-N 308.338 -0.053 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1COCCN1C(=O)[C@H](C)CC(N)=O 1061568975 VRCZTTBUNBSNIU-CHWSQXEVSA-N 323.393 -0.499 30 20 DBED C=CCCC(=O)N1CCOC[C@@H]1CNC(=O)CCNC(N)=O 1061577797 HYXCPCKKISGFCJ-NSHDSACASA-N 312.370 -0.645 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CCCCN1C(=O)c1nnn(C)n1 1062308743 SRXHRQIKPAIHCD-GFCCVEGCSA-N 318.381 -0.020 30 20 DBED N#Cc1ccc(NC[C@H]2CCCN2C(=O)Cn2ncnn2)nn1 1063519094 ORQKTXMEPSYHNJ-LLVKDONJSA-N 313.325 -0.562 30 20 DBED N#Cc1nccc(N2CCC[C@]3(CCN(C(=O)C(N)=O)C3)C2)n1 1064567038 BVMWLOWIFZNZPH-HNNXBMFYSA-N 314.349 -0.348 30 20 DBED CCOCC(=O)NC[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)CCO1 1065054574 XMAMTHYDAPDTRU-GFCCVEGCSA-N 320.349 -0.120 30 20 DBED C[C@]1(NC(=O)[C@H]2C[C@H]2C(N)=O)CCN(c2ccnc(C#N)n2)C1 1065328954 CNEYOOSETUAIMU-FTGAXOIBSA-N 314.349 -0.445 30 20 DBED Cc1cc(=N[C@@H](C)[C@H]2CCN(C(=O)C(N)=O)C2)c(C#N)c[nH]1 1065766662 MKJAGQZOENBURD-QWRGUYRKSA-N 301.350 -0.182 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC[C@@H](NC(=O)CC(=O)NC)CC1 1066086520 IIVQNOYNRXOXMX-QWHCGFSZSA-N 323.393 -0.342 30 20 DBED C=CCCC(=O)N(C)CCCN(C)C(=O)CN1CCNC(=O)C1 1066988610 UICMQMZVZCFQNI-UHFFFAOYSA-N 324.425 -0.309 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](CNC(=O)c3cnon3)C2)nc1 1067678957 XDYDELIRDVLZQI-PWSUYJOCSA-N 314.305 -0.437 30 20 DBED CN(C(=O)[C@@H]1CCNC1=O)C1CC(Nc2ccc(C#N)nn2)C1 1069787937 KDXNMIYLVUKNSW-HTAVTVPLSA-N 314.349 -0.114 30 20 DBED Cc1nn[nH]c1C(=O)N(C)C1CC(N=c2cc[nH]c(C#N)n2)C1 1069789252 AVLHLIXLIXZZFS-UHFFFAOYSA-N 312.337 -0.088 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H]2COCCO2)C1 1069898576 QRXGPFCAXWBUKL-AGIUHOORSA-N 307.354 -0.779 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)[C@@H]2CCN(C)C2)CCOCC1 1070122326 SMYGTXJERLQKNO-QWHCGFSZSA-N 322.409 -0.121 30 20 DBED N#CCN[C@@H]1CN(C(=O)CCc2ncc[nH]2)C[C@@H]1n1ccnn1 1070185439 WDDATKPDBZLXAI-NEPJUHHUSA-N 314.353 -0.501 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1c1cncn1C 1070642921 BICPMXWGAPJZQJ-VXGBXAGGSA-N 313.365 -0.620 30 20 DBED CC#CCN1C[C@H]2C[C@H]3CN(C(=O)c4cnn(C)n4)C[C@@]3(C1)O2 1070867662 MOWCSWIVZCLVMU-WOSRLPQWSA-N 315.377 -0.246 30 20 DBED C=C(C)CN1CCNC(=O)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1070963187 FWRULOYPBQSLJH-CHWSQXEVSA-N 324.381 -0.122 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)c2cnc(O)n2C)CC1 1070984937 BWBFGSJDMHDOGD-UHFFFAOYSA-N 321.381 -0.424 30 20 DBED C#CCN[C@@H]1CCO[C@H]1C1CCN(C(=O)c2nnn(C)n2)CC1 1071079031 JUOLNVFIOMGQHD-OLZOCXBDSA-N 318.381 -0.557 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1C 1071556581 KJJCZEDLRDTQES-WDEREUQCSA-N 306.370 -0.152 30 20 DBED C#CCCN1C[C@H](NC(=O)CN2CCN(C)C(=O)C2)CC[C@@H]1C 1071619786 UKTBYMHAOVLPIS-LSDHHAIUSA-N 320.437 -0.247 30 20 DBED C=CCOCC(=O)N1C[C@H](C)[C@H](NC(=O)C2CN(C(C)=O)C2)C1 1071809002 ONWRCFMZPNOLDB-SMDDNHRTSA-N 323.393 -0.370 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](NC(=O)CCn2cnnn2)[C@H](C)C1 1072038087 AEKXIABPGBQVQG-CHWSQXEVSA-N 318.381 -0.314 30 20 DBED C#CCCCC(=O)NC1(C)CCN(C(=O)Cn2ncnn2)CC1 1073049662 RVEHISXZHDDWBF-UHFFFAOYSA-N 318.381 -0.026 30 20 DBED C#CCO[C@H](C)C(=O)NC1(C)CCN(C(=O)c2cnn[nH]2)CC1 1073143466 QNEWPMKLEWOINK-LLVKDONJSA-N 319.365 -0.046 30 20 DBED CC#CCN1CCC2(C1)CN(C(=O)[C@@H]1CCS(=O)(=O)N1)C2 1073438860 DPCAHJWMXJREJD-LBPRGKRZSA-N 311.407 -0.764 30 20 DBED C[C@H]1CC(=O)N[C@@H](C(=O)NC[C@@H]2CN(CC#N)CCCO2)C1 1073605800 VPSIFFIVZSCODQ-JHJVBQTASA-N 308.382 -0.368 30 20 DBED C=C(C)CCN1CCCO[C@@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 1073751693 GLJOZIZWWHXLPF-STQMWFEESA-N 310.398 -0.159 30 20 DBED C=CCN1CCCO[C@H](CNC(=O)[C@H]2CCCS2(=O)=O)C1 1073896692 YPUCAKWLPUDNGP-CHWSQXEVSA-N 316.423 -0.043 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)c2ccc(C(N)=O)cn2)C1 1073911142 ISWJODIAKIPJGJ-CYBMUJFWSA-N 316.361 -0.366 30 20 DBED C=CCN[C@H]1CCN(C(=O)[C@H]2CCN(C)S2(=O)=O)[C@H]1C 1074962294 MUPMXKCGKKGQRY-SDDRHHMPSA-N 301.412 -0.215 30 20 DBED C#CCCCCC(=O)NCC[C@H](C)NC(=O)[C@H]1CNC(=O)N1 1076210263 IMMGLOKOBHPEAT-NWDGAFQWSA-N 308.382 -0.128 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H](C)CCNC(=O)c1cc(=O)n(C)o1 1076288091 KCTYBLWKPLCFNO-QWRGUYRKSA-N 323.349 -0.359 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H](C)CCNC(=O)CCNC(N)=O 1076451313 OGXBQPOOQMZSFX-QWRGUYRKSA-N 312.370 -0.906 30 20 DBED Cc1nc(CN2C[C@@H](O)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)n[nH]1 1076898304 CHEMZCYIUHHJIT-VXGBXAGGSA-N 315.337 -0.712 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)c2[nH]c(C)c(C(N)=O)c2CC)C1 1077128867 IYEWEHCNMIRGSO-VXGBXAGGSA-N 320.393 -0.055 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H](C)CCNC(=O)[C@@H]1[C@H]2COC[C@H]21 1077906516 BKBRMFBYJIGKPM-MEBFFEOJSA-N 308.378 -0.072 30 20 DBED C=CCO[C@H](C)C(=O)N(C)[C@@H]1CCCN(C(=O)C(N)=O)CC1 1078990989 OBIXJKICHVNEAJ-VXGBXAGGSA-N 311.382 -0.098 30 20 DBED C=CCOCC(=O)N1CC(N(CC)C(=O)CNC(=O)C2CC2)C1 1079380824 FJXNRFRSORERJP-UHFFFAOYSA-N 323.393 -0.226 30 20 DBED C=CCOCC(=O)N1CC(N(CC)C(=O)[C@@H]2COC(=O)N2)C1 1079702232 ZCTDNGCAPUUMTH-NSHDSACASA-N 311.338 -0.643 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)c2ncc[nH]2)C[C@@H]1O 1081464306 XWOZQHUEKVDKBQ-NEPJUHHUSA-N 304.350 -0.382 30 20 DBED C=CC(C)(C)C(=O)NC[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@@H]1O 1081640819 RCPVKLJAAUEULX-PWSUYJOCSA-N 321.381 -0.424 30 20 DBED C=CCN1C[C@@H](NC(=O)c2ccoc2CC(N)=O)[C@H](OC)C1 1082070393 BJHKZBBQCAIHLV-DGCLKSJQSA-N 307.350 -0.078 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1nc2ncccn2n1 1083228883 XUDFVRXKYHCAQU-NWDGAFQWSA-N 312.333 -0.717 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)c2cnc3n2CCOC3)C1 1083540939 HTHKCSZQOJPTIM-YPMHNXCESA-N 306.366 -0.236 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)C2CCN(C(=O)C(C)C)CC2)C1 1083687684 FNNSDCXWOZIJLL-CABCVRRESA-N 321.421 -0.325 30 20 DBED C#CCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCc2nnnn2CC1 1085829448 XSJBORBJZGZODS-QWHCGFSZSA-N 302.382 -0.209 30 20 DBED C=C(Cl)CN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCS(=O)(=O)N1 1085976899 IQXLZYGPKONOOG-MNOVXSKESA-N 321.830 -0.037 30 20 DBED COc1ccnc(OC)c1C(=O)N[C@H]1CCN(CC#N)C[C@H]1O 1090422240 IPFDUHSPNFNQII-WDEREUQCSA-N 320.349 -0.213 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CN(c2ncc(F)cn2)C[C@H]1O 1090445245 GPKDDCOWUYSWHQ-MVWJERBFSA-N 310.329 -0.128 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CCN(CC(N)=O)C[C@H]2O)cc1 1090484039 VUFVOZPPQXHVHF-ZIAGYGMSSA-N 301.346 -0.682 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2ccc3nc(O)[nH]c3c2)[C@H](O)C1 1090607546 WDULNUKCFUKCNX-DGCLKSJQSA-N 315.333 -0.043 30 20 DBED C[C@@H]1CN(c2nccnc2C#N)C[C@H]1NC(=O)C(C)(C)C(N)=O 1090780987 SOTXPKYIHDPBJS-MWLCHTKSSA-N 316.365 -0.199 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(c2nccnc2F)C[C@H]1OC 1090921742 RNWQLSCUTHNCQF-VXGBXAGGSA-N 322.340 -0.025 30 20 DBED N#Cc1cnc(N2C[C@H]3[C@H](NC(=O)C4(C(N)=O)CC4)[C@H]3C2)cn1 1093357073 RVZCKMMXEPIQKG-IAZYJMLFSA-N 312.333 -0.835 30 20 DBED CC(C)CC(=O)NCCC(=O)NCCN=c1cc[nH]c(C#N)n1 1093707727 DERDGUOIUYLAQA-UHFFFAOYSA-N 318.381 -0.149 30 20 DBED C#CCN1CC(n2cc(CNC(=O)c3ccnc(O)c3)nn2)C1 1094282378 POOONQBZSQRUOW-UHFFFAOYSA-N 312.333 -0.201 30 20 DBED C=CCCN1CC(n2cc(CNC(=O)c3nnn(C)n3)nn2)C1 1094310151 FKBNPPSYGBSTJA-UHFFFAOYSA-N 317.357 -0.836 30 20 DBED C#Cc1cncc(C(=O)NCc2cn(C3CN(CC#N)C3)nn2)c1 1094318581 PJURLNKJTOVUJQ-UHFFFAOYSA-N 321.344 -0.035 30 20 DBED CC#CCN1CC(N2C[C@@H](NC(=O)[C@H]3CCCO3)CC2=O)C1 1094702022 UIPMWEBBFPQRDE-GXTWGEPZSA-N 305.378 -0.410 30 20 DBED COC(=O)NCC(=O)N1CC[C@@H](N(C)c2cnc(C#N)cn2)C1 1095092271 ALXAFNPHDYZOPD-LLVKDONJSA-N 318.337 -0.259 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CCN(c2cnc(F)cn2)C1 1096359634 FKACMUBEGHJHTL-JTQLQIEISA-N 305.313 -0.550 30 20 DBED N#Cc1ccc(N[C@@H](CNC(=O)[C@H]2CCC(=O)N2)C2CC2)nn1 1096598255 KSDABEOXQIURRF-NEPJUHHUSA-N 314.349 -0.066 30 20 DBED C=CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cn(CC(N)=O)nn1 1096605338 JUSWSUAPOXGUOD-SCVCMEIPSA-N 304.354 -0.716 30 20 DBED C[C@@H](CNC(=O)CCn1cncn1)Nc1nccnc1C#N 1097655866 XQKBWGLLSHSHON-JTQLQIEISA-N 300.326 -0.053 30 20 DBED C[C@H](CNC(=O)[C@H]1CCNC(=O)C1)N=c1cc[nH]c(C#N)n1 1097773543 GGIKGRMNDLMJJF-ZJUUUORDSA-N 302.338 -0.787 30 20 DBED C[C@H](CNC(=O)c1ccn2nnnc2c1)N=c1cc[nH]c(C#N)n1 1098187305 RXBLRHQSYPWSBF-SECBINFHSA-N 323.320 -0.562 30 20 DBED C=C(C)CCN(CCO)C1CCN(C(=O)[C@H]2CNC(=O)N2)CC1 1098463195 FAJXXJYTOBYZQP-CQSZACIVSA-N 324.425 -0.081 30 20 DBED N#Cc1nccnc1N[C@@H]1CCC[C@H](NC(=O)CNC(N)=O)C1 1098589865 OUCBOQJBYFEWTJ-VHSXEESVSA-N 317.353 -0.144 30 20 DBED C#CCN1C[C@@H]2CCC[C@]2(NC(=O)CN2CCOCC2=O)C1 1098876575 NVIQUSIGLKEFLN-BBRMVZONSA-N 305.378 -0.551 30 20 DBED C[C@H](NC(N)=O)C(=O)NCC[C@@H](C)N=c1cc[nH]cc1C#N 1099040179 ABOQDXWQIKQPPM-ZJUUUORDSA-N 304.354 -0.261 30 20 DBED C#CCCN1C[C@H]2[C@H]3CC[C@@H]([C@H]2C1)N(C(=O)CNC(N)=O)C3 1099400441 DELJIMPPVKPDDK-XUXIUFHCSA-N 304.394 -0.153 30 20 DBED N#CCNC(=O)CN1CC[C@H](NC(=O)C2CCCC2)[C@H](O)C1 1099611403 QISJNOHQBMVMKD-QWHCGFSZSA-N 308.382 -0.632 30 20 DBED C[C@H](CCNC(=O)[C@@H]1CNC(=O)N1)Nc1cnc(C#N)cn1 1099682565 LLSAVGFCDGGHID-SCZZXKLOSA-N 303.326 -0.664 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2cc(C)ncn2)[C@@H](O)C1 1099775705 KHLVBLXNYIICMT-ZFWWWQNUSA-N 318.377 -0.400 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)c2cnnn2CC)[C@H](O)C1 1099807829 WIEDMBZDUOAQKE-TZMCWYRMSA-N 323.397 -0.334 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CCN(CC(=O)NCC(C)C)C[C@@H]1O 1099821750 XROBFGTULXWMHO-CABCVRRESA-N 323.437 -0.031 30 20 DBED Cc1[nH]nc(C(=O)NCCN(C)c2ccnc(C#N)n2)c1O 1100014466 LWMWLWTYFWONSW-UHFFFAOYSA-N 301.310 -0.048 30 20 DBED COCC(=O)N(C)CC(=O)NCCN(C)c1ccnc(C#N)n1 1100375074 QSCYLRFEFKZZQG-UHFFFAOYSA-N 320.353 -0.995 30 20 DBED C=C(C)CNC1CC(CNC(=O)Cn2ccc(=O)n(C)c2=O)C1 1100382169 LKQCXLPPVVNXET-UHFFFAOYSA-N 320.393 -0.393 30 20 DBED CCN(CCNC(=O)[C@H]1CNC(=O)N1)c1snc(C)c1C#N 1100698881 PRAFJFOUEUUEJW-SNVBAGLBSA-N 322.394 -0.053 30 20 DBED C#CCCNC1CC(CNC(=O)c2cn(C)c(=O)n(C)c2=O)C1 1100723826 JEPUBHKNLPLQMR-UHFFFAOYSA-N 318.377 -0.795 30 20 DBED C=CCNC(=O)CNC1CC(CNC(=O)C2(C(=O)NC)CC2)C1 1100753891 SEUSVNBLMJVZSS-UHFFFAOYSA-N 322.409 -0.701 30 20 DBED CN(C)C(=O)CC(=O)NC[C@@H]1CCN(c2nccnc2C#N)C1 1101060580 FUFZITLGFIAHMR-NSHDSACASA-N 316.365 -0.231 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)c2cocn2)C1 1101810311 AEIFOZLYEZFDIX-VXGBXAGGSA-N 304.350 -0.278 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)[C@@H]1CCS(=O)(=O)C1 1101849209 ZTUKHWMYTWRXHF-SNVBAGLBSA-N 323.378 -0.925 30 20 DBED CN(CCNc1cncc(C#N)n1)C(=O)[C@H]1CCN(C)C1=O 1101908004 YHRHSASRRCTAHA-NSHDSACASA-N 302.338 -0.303 30 20 DBED C#CCN1C[C@@H](C)[C@H](CNC(=O)CCCS(N)(=O)=O)C1 1102297190 NBAOEGSBZBOSEP-VXGBXAGGSA-N 301.412 -0.628 30 20 DBED CN(C(=O)C1(C(N)=O)CC1)[C@H]1CCN(c2cncc(C#N)n2)C1 1102756041 NGXCCWRKVWHGCW-NSHDSACASA-N 314.349 -0.349 30 20 DBED C[C@](CNc1cncc(C#N)n1)(NC(=O)CC(N)=O)C1CC1 1103506530 BJWRBUYKYXIHRY-CQSZACIVSA-N 302.338 -0.080 30 20 DBED C#CCCN1C[C@@H](C)[C@H](CCNC(=O)CS(=O)(=O)NC)C1 1103731736 TWRQAKGWVXIAPP-CHWSQXEVSA-N 315.439 -0.367 30 20 DBED C[C@@H](CNC(=O)Cn1cnnn1)CNc1ccc(C#N)nn1 1103852308 UOJSQUKMYZBMAS-SECBINFHSA-N 301.314 -0.801 30 20 DBED C#CCNC(=O)CC(=O)N(C)[C@H](C)CNc1ccc(C#N)nn1 1104531061 SRHMYCNYDFMROU-LLVKDONJSA-N 314.349 -0.253 30 20 DBED CC#CCNCc1cn(C2CN(C(=O)c3cn(C)nn3)C2)nn1 1105227599 QIKGTPLKBBEYMH-UHFFFAOYSA-N 314.353 -0.783 30 20 DBED C=CCCN1CC(OC2CCN(C(=O)CNC(N)=O)CC2)C1 1105686197 QAMJKCNGIJXBHN-UHFFFAOYSA-N 310.398 -0.077 30 20 DBED Cc1cc(=NC[C@@H](O)CNC(=O)c2cncnc2)c(C#N)c[nH]1 1105802849 SIMBHHSITBUBLF-CYBMUJFWSA-N 312.333 -0.324 30 20 DBED Cn1nccc1CC(=O)NC[C@H](O)CNc1ccc(C#N)nc1 1105806543 ZDGRRVZZCIJCTE-CQSZACIVSA-N 314.349 -0.182 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@@H](O)CNc2cnc(C#N)cn2)c1 1105808616 NMUKFNRSLAFRGS-NSHDSACASA-N 311.305 -0.249 30 20 DBED Cc1cc(=NC[C@@H](O)CNC(=O)c2n[nH]cc2C)c(C#N)c[nH]1 1105825438 FZASMZUMTKQDCR-GFCCVEGCSA-N 314.349 -0.082 30 20 DBED COCC1(C(=O)NC[C@@H](O)CN=c2cc(C)[nH]cc2C#N)CC1 1106022439 AVMAWOIWWYGGQD-ZDUSSCGKSA-N 318.377 -0.001 30 20 DBED C[C@H](CC(N)=O)C(=O)NC[C@H](O)CNc1ccc(C#N)cn1 1106057579 CSCPKUUVYIREQA-MWLCHTKSSA-N 305.338 -0.646 30 20 DBED COC[C@@H](OC)C(=O)NC[C@H](O)CNc1ccc(C#N)nc1 1106087251 NFVHDWWHRJRQBA-CHWSQXEVSA-N 308.338 -0.496 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)c2cncn2C)C[C@H]1C 1106380682 LTMBUZTXQBXFAS-CHWSQXEVSA-N 317.393 -0.533 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2C)C[C@H]1C 1106542539 FSCJOIUYRHQCMY-KFWWJZLASA-N 321.421 -0.059 30 20 DBED C=CCN1CC(n2cc(CNC(=O)Cc3nnc(C)o3)nn2)C1 1107166888 FOQGSDVMEWQBDM-UHFFFAOYSA-N 317.353 -0.129 30 20 DBED C#CCN1CC[C@@]2(CNC(=O)CN3CCNC(=O)C3)CCC[C@@H]12 1107499767 OEPPPHICSYPILM-RHSMWYFYSA-N 318.421 -0.588 30 20 DBED CNC(=O)NCC(=O)NC/C=C/CNc1ncccc1C#N 1107569342 CTQPUTFEPWBUQH-NSCUHMNNSA-N 302.338 -0.033 30 20 DBED C[C@H](CNc1ccc2nnnn2n1)NC(=O)c1cc(C#N)c[nH]1 1107676426 DSFNCQUJHPHSJL-MRVPVSSYSA-N 311.309 -0.051 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)C1(C(=O)N(C)C)CC1 1107917795 SYAFTFYIIROOTO-SNVBAGLBSA-N 316.365 -0.445 30 20 DBED C[C@H](CNc1ccc(C#N)nn1)NC(=O)[C@H]1CCCC(=O)N1 1107981444 UAKZGOFVLODVBW-MWLCHTKSSA-N 302.338 -0.066 30 20 DBED C[C@]1(CNC(=O)C(N)=O)CN(Cc2cccc(C#N)c2)CCO1 1108177413 WSTMAHDQUWYGCT-INIZCTEOSA-N 316.361 -0.249 30 20 DBED C[C@H](CN=c1cc[nH]cc1C#N)NC(=O)[C@H]1CC(=O)N(C)C1 1108178516 WLVVNJUCQNILDH-MNOVXSKESA-N 301.350 -0.230 30 20 DBED C[C@@]1(CNC(=O)[C@@H]2CCCCN2C(N)=O)CN(CC#N)CCO1 1108334165 DRZGVTPZWNCQOY-SWLSCSKDSA-N 323.397 -0.350 30 20 DBED CCN1CCO[C@@H](C(=O)N[C@@H](C)CNc2ccc(C#N)nn2)C1 1108396240 JSZHNBLHOPDXTQ-WCQYABFASA-N 318.381 -0.014 30 20 DBED C[C@@]1(CNC(=O)[C@H]2CCCS2(=O)=O)CN(CC#N)CCO1 1108408716 JRMXQQINTWWFFR-DGCLKSJQSA-N 315.395 -0.706 30 20 DBED COCC#CCN1CC(N2C[C@@H](NC(=O)[C@H]3C[C@@H]3C)CC2=O)C1 1108561387 YOJRMYOWKGETKX-YDHLFZDLSA-N 319.405 -0.307 30 20 DBED N#CCNC(=O)CN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cocn1)C2 1108642218 RZHXBGNRHBYKRH-TUAOUCFPSA-N 317.349 -0.103 30 20 DBED C[C@@H](CNc1cncc(C#N)n1)NC(=O)c1cn(C)c(=O)cn1 1108792831 FEZGZCLDBNRSDY-VIFPVBQESA-N 313.321 -0.328 30 20 DBED C[C@@H](CN(C)c1ccc(C#N)nn1)NC(=O)c1cnnn1C 1108921074 BVGCOJHCJCFMAZ-VIFPVBQESA-N 300.326 -0.269 30 20 DBED C[C@@H](CN(C)c1ccc(C#N)nn1)NC(=O)[C@]1(C)CCC(=O)N1 1109242134 DVAVAKFSGVYJEG-BONVTDFDSA-N 316.365 -0.042 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@]1(F)CCOC1 1109639154 QRCWOEIWCZXJNS-LMOYCYGVSA-N 323.368 -0.414 30 20 DBED N#Cc1cncc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)CCNC(N)=O)n1 1109708661 KSYJKVSWLGGASK-DVYJOKAKSA-N 315.337 -0.900 30 20 DBED N#Cc1ccc(NC[C@@H](NC(=O)[C@@H]2CCC(=O)N2)C2CC2)nn1 1109880694 QJIWIPHDNKOKQH-NWDGAFQWSA-N 314.349 -0.066 30 20 DBED N#Cc1nccc(NC2(CNC(=O)CN3CCOCC3)CC2)n1 1110097055 RQGOXZPBTKYLTO-UHFFFAOYSA-N 316.365 -0.259 30 20 DBED C#CCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1110553564 XEBCABVMASDZPT-MCIONIFRSA-N 318.377 -0.612 30 20 DBED COCCC(=O)N(C)[C@H]1CN(c2ccc(C#N)cn2)C[C@@H]1O 1111168102 YPUANMMVAPBCMJ-STQMWFEESA-N 304.350 -0.002 30 20 DBED N#Cc1cnc(NCCN(CCO)C(=O)c2cccnn2)cn1 1111501269 RYZCNCSNIBRXMN-UHFFFAOYSA-N 313.321 -0.315 30 20 DBED CNC(=O)NC(=O)CN1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)C#N)C1 1111666618 HNXAZIDMDDTEHH-ZETOZRRWSA-N 321.381 -0.428 30 20 DBED CC(=O)NCC(=O)N1CCO[C@@H](CNc2ccc(C#N)nc2)C1 1111929712 PRGQFPGTDVYHKN-AWEZNQCLSA-N 317.349 -0.271 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)COCC2CC2)CC1 1112642913 MZAAKEJQCOAUIN-ZDUSSCGKSA-N 307.394 -0.305 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)COCCOC)CC1 1112727520 LLBWMIZYVJTSFN-ZDUSSCGKSA-N 313.398 -0.516 30 20 DBED CCS(=O)(=O)NCCN1CCN(C(=O)C#CC2CC2)CC1 1112832177 JTVWEAWAWQXOKK-UHFFFAOYSA-N 313.423 -0.517 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)c2cnn3c2CCC3)CC1 1112934706 KDBCEGQYDGLJCS-UHFFFAOYSA-N 316.365 -0.773 30 20 DBED COC(=O)NCC(=O)NC[C@H](C)N(C)c1cnc(C#N)cn1 1113512903 SMRJNMHJNMKVIV-VIFPVBQESA-N 306.326 -0.355 30 20 DBED C[C@@H](CNC(=O)[C@H]1COCCN1C)N(C)c1nccnc1C#N 1113561337 YMUQIJNSQALAAG-WCQYABFASA-N 318.381 -0.380 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)CNC(=O)[C@@H](C)CC)CC1 1113641142 CNZZEVPNBXAKEY-ZDUSSCGKSA-N 322.409 -0.958 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)CCCN2CCCC2)CC1 1113676509 VKDKPFIJKLQRJQ-UHFFFAOYSA-N 320.437 -0.244 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)C3CCOCC3)[C@@H]2C1 1113769152 HVGUPXHCYAHFEF-CHWSQXEVSA-N 307.394 -0.238 30 20 DBED C=CCCO[C@H](C)C(=O)NC1[C@H]2CN(Cc3nnnn3C)C[C@H]12 1113995588 FJZZZCCBKGMLLG-WOPDTQHZSA-N 320.397 -0.262 30 20 DBED O=C(C#CC1CC1)N[C@H]1[C@@H]2CN(CCN3CCNC3=O)C[C@@H]21 1114256083 TUXUZZHIHHYEDI-NHAGDIPZSA-N 302.378 -0.529 30 20 DBED C#CCO[C@H](C)C(=O)NC1[C@@H]2CN(CCn3cncn3)C[C@@H]12 1114274018 YTGCCNWUXZFZDA-JHJVBQTASA-N 303.366 -0.637 30 20 DBED COCC#CCN1C[C@@H]2C(NC(=O)[C@H]3CCC(=O)N3C)[C@H]2C1 1114725729 AJXGPAGBTBKDSY-RWMBFGLXSA-N 305.378 -0.697 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)[C@H]3CC[C@@H](C(N)=O)C3)[C@@H]2C1 1114835847 RMJXEUVDVCGUIG-XJFOESAGSA-N 319.405 -0.416 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)CCCN(C)C(C)=O)[C@H]2C1 1115181190 YATKLKZOCCLOSJ-QLPKVWCKSA-N 321.421 -0.059 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)c3c[nH]cc3C)[C@@H]2C1 1115235758 NDFAWYIFNGPULQ-CHWSQXEVSA-N 300.362 -0.267 30 20 DBED C=CCOCC(=O)N(C)C[C@@H](C)Nc1ccc2nnnn2n1 1115651363 VPVBNGOFTQUOAI-SNVBAGLBSA-N 305.342 -0.019 30 20 DBED CN(CC(C)(C)C#N)C(=O)C(=O)N1CCN2CCOC[C@H]2C1 1117875744 YVAVGAFZWDJQMX-GFCCVEGCSA-N 308.382 -0.462 30 20 DBED N#Cc1nc(=N[C@H](CO)CNC(=O)/C=C\c2ccc[nH]2)cc[nH]1 1121359996 PFJXTUCDFOWXSX-MVZIDQBPSA-N 312.333 -0.299 30 20 DBED Cc1nc(O)[nH]c1C(=O)NC[C@H](CO)Nc1ncccc1C#N 1122158266 LASFOUUGNCLSLH-SNVBAGLBSA-N 316.321 -0.107 30 20 DBED CC[C@H](NC(C)=O)C(=O)NC[C@@H](CO)Nc1ccc(C#N)cn1 1122643083 BJJXWENODIILMM-STQMWFEESA-N 319.365 -0.243 30 20 DBED N#Cc1cccnc1N[C@H](CO)CNC(=O)[C@H]1CCC(=O)NC1 1122827622 DERIJOALWNWNKF-RYUDHWBXSA-N 317.349 -0.632 30 20 DBED N#Cc1cncc(NC[C@H]2CC[C@@H](NC(=O)CNC(N)=O)C2)n1 1123718909 JOQQRDSIRFTQFN-VHSXEESVSA-N 317.353 -0.287 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)c2cncnc2C)C1=O 1124120030 WOVDIRLZJRRMBO-CYBMUJFWSA-N 303.366 -0.109 30 20 DBED C=CCCO[C@@H](C)C(=O)NCCNCC(=O)NC(=O)NCC 1124488554 QXHNSCFMLDFYRR-NSHDSACASA-N 314.386 -0.481 30 20 DBED C=CCCO[C@H](C)C(=O)NCCN[C@H](C)C(=O)NC(=O)NC 1124493960 CWFARWREYVXJIT-GHMZBOCLSA-N 314.386 -0.483 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)c1cncnc1 1126093784 OAHGAZWQMDVEAZ-UHFFFAOYSA-N 304.354 -0.442 30 20 DBED C=C(C)[C@@H](CC(=O)NCCN[C@@H]1CCC(=O)NC1=O)OCC 1128528655 QUXODZBKCRKSRV-VXGBXAGGSA-N 311.382 -0.131 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)c2c(C)nnn2CC)C1=O 1129275536 TXPAZACOFVEBCN-GFCCVEGCSA-N 320.397 -0.287 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)C[C@@H]2CCCC(=O)N2)C1=O 1131097603 RXILWTIVTGHDCU-QWHCGFSZSA-N 322.409 -0.462 30 20 DBED CC#CCN1C[C@H]2C[C@@H]3CN(C(=O)[C@@H](C)NC(C)=O)C[C@@]3(C1)O2 1131177087 DLCBCEMMFNVXET-DNNBLBMLSA-N 319.405 -0.164 30 20 DBED C#CCCN1CCNC(=O)CCN(C(=O)CSCC#N)CC1 1131334218 NJGXLIOSBMTBNA-UHFFFAOYSA-N 322.434 -0.083 30 20 DBED COCC#CCN1C[C@H](NC(=O)Cn2cnnn2)CC[C@H]1C 1131784825 ZDLGTRMTVFJTLJ-CHWSQXEVSA-N 306.370 -0.708 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)c1ccc(O)nn1 1133614266 DKFXLRDAWQPNCA-QWRGUYRKSA-N 319.365 -0.582 30 20 DBED C=CCOCC(=O)N[C@H](C)C[C@@H](C)NCc1nc(=O)n(C)[nH]1 1133909846 RSIBRJYOHVFIOU-GHMZBOCLSA-N 311.386 -0.316 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)NCCN[C@@H](C)c1nnnn1C 1134816294 BJTJFQADAVUGID-CMPLNLGQSA-N 323.401 -0.552 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cnc(C(C)C)nc1C 1134856521 JTBGHNDIQGQCNP-UHFFFAOYSA-N 317.393 -0.023 30 20 DBED C#CCOCCC(=O)N1CC2(CCN(CCOCCO)C2)C1 1147534847 NUYKKHMNLWPKDU-UHFFFAOYSA-N 310.394 -0.431 30 20 DBED COCCC1(NC(=O)[C@H]2CNC(=O)N2)CCN(CC#N)CC1 1151281778 QNRRWRWOQIFHDY-LLVKDONJSA-N 309.370 -0.821 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@@H](C)NC(=O)C1CCC1 1153700345 UDKAJKCKSSKVTJ-NWDGAFQWSA-N 322.409 -0.865 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@@H]1Cc2ccccc2O1 1162058493 GVLKPSHOGQZWPT-HNNXBMFYSA-N 315.373 -0.165 30 20 DBED C#CCN1CCC(CNC(=O)c2cn(C)nn2)(COC)CC1 1162252214 DDXMATMUJNIMCA-UHFFFAOYSA-N 305.382 -0.093 30 20 DBED N#CCNC(=O)CNCCCNC(=O)c1cnc2n1CCCC2 1164501088 RBHRZBWKZUNBTC-UHFFFAOYSA-N 318.381 -0.431 30 20 DBED CC(C)(C)C#CC(=O)N1CC[C@H]2OCCN(CC(N)=O)[C@H]2C1 1177004702 BCINAJGBVHNFDD-QWHCGFSZSA-N 307.394 -0.177 30 20 DBED N#CCN1CCO[C@@H]2CCN(C(=O)CCCn3ccnn3)C[C@@H]21 1177035236 JBJDJYVEWHCDGG-UONOGXRCSA-N 318.381 -0.116 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)C(=O)NCC3CC3)C[C@@H]21 1177125876 UHVWIJMCPMKKIK-KBPBESRZSA-N 305.378 -0.553 30 20 DBED COCCCNC(=O)CN[C@H]1CCN(C(=O)[C@@H](C)C#N)[C@H]1C 1178366522 JSIMKPKKMWBMKM-AVGNSLFASA-N 310.398 -0.122 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3ccncc3)[C@@H]2C1 1186662193 DFQFHAKYAKNWCU-LSDHHAIUSA-N 312.373 -0.023 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@H]2CN(Cc3nnnn3C)C[C@H]21 1187881925 HUMMITVFJQQRIQ-FRRDWIJNSA-N 318.381 -0.719 30 20 DBED N#CCNC(=O)CN[C@@H]1CCN(C(=O)CCc2nccs2)C1 1187946339 LBYOLTOWSOFANY-LLVKDONJSA-N 321.406 -0.094 30 20 DBED C#CCN1CCC(C(=O)N2CC[C@@H](NCC(=O)NCC)C2)CC1 1188090843 IQGUCBKDCPGXAP-OAHLLOKOSA-N 320.437 -0.342 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC[C@@H](NCC(=O)NC(=O)NC)C1 1188310047 MLDXTSMZRPRHRD-WDEREUQCSA-N 312.370 -0.776 30 20 DBED CCO[C@@H](C(=O)N1CC[C@@H](N(C)CC(=O)NCC#N)C1)C1CC1 1190203303 KHUYDSQBDIHKLU-UKRRQHHQSA-N 322.409 -0.026 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)c2cc(C)[nH]n2)C1 1191356530 QFXFAGAKHOJJNR-RAIGVLPGSA-N 321.381 -0.816 30 20 DBED C=CCC[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)CS(C)(=O)=O)C1 1191529393 FFCQMDLKVAFZCD-IJLUTSLNSA-N 304.412 -0.453 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(C[C@@H](O)Cn2cccn2)C[C@H]1O 1192524884 NTBUEIAYOBMNOZ-RBSFLKMASA-N 320.393 -0.791 30 20 DBED COCC(=O)N[C@H](C(=O)N1CC[C@@H](N(C)CC#N)C1)C(C)C 1192724053 QVUYMMNZCRRZBZ-OCCSQVGLSA-N 310.398 -0.170 30 20 DBED CCN(CC)C(=O)CN1C[C@@H](O)[C@H](NC(=O)C#CC(C)C)C1 1192751978 OYDXDEJBEITJNB-ZIAGYGMSSA-N 309.410 -0.325 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)C2(C)CC=CC2)C1 1195842231 KMDUXNKUFVCBNZ-BFHYXJOUSA-N 319.405 -0.358 30 20 DBED C=CCOCC(=O)N1CCC(N[C@@H]2CCC(=O)NC2=O)CC1 1199797511 OPLLYKSURKDDQR-GFCCVEGCSA-N 309.366 -0.425 30 20 DBED N#CCNC(=O)CNC1CCN(C(=O)[C@@H]2CCCCO2)CC1 1200078899 OFHKDVPHWMOIRQ-ZDUSSCGKSA-N 308.382 -0.224 30 20 DBED COc1coc(C(=O)N2CCCO[C@@H](CNCC#N)C2)cc1=O 1200966542 LZSBKIFSSRKSFN-NSHDSACASA-N 321.333 -0.007 30 20 DBED C#CCNC[C@@H]1CN(C(=O)c2ccn3nnnc3c2)CCCO1 1201120357 NTZBUPMIHATPBC-CYBMUJFWSA-N 314.349 -0.422 30 20 DBED CC(C)(C(=O)N1CCCO[C@@H](CNCC#N)C1)N1CCOCC1 1201639693 NMLAJJNEGKJJHN-AWEZNQCLSA-N 324.425 -0.172 30 20 DBED C=CCNCC1CCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)CC1 1206481150 BLRWCIPMIDDBLP-UHFFFAOYSA-N 322.365 -0.579 30 20 DBED N#CCNCC1CCN(C(=O)CCn2cnccc2=O)CC1 1206718150 WLDUBGCVAXCJIJ-UHFFFAOYSA-N 303.366 -0.015 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(CCS(C)(=O)=O)C[C@H]1C 1206915561 CWEJNADNHJUJOT-YRGRVCCFSA-N 318.439 -0.205 30 20 DBED CC#CCN[C@@H]1CCCN(C(=O)CCCS(N)(=O)=O)C1 1209334298 BVIBSQSQSFLMSR-GFCCVEGCSA-N 301.412 -0.341 30 20 DBED CNC(=O)NC(C)(C)C(=O)N1CCC[C@@H](NCC#CCOC)C1 1211248578 IDGZQHSQTFWWIW-CYBMUJFWSA-N 324.425 -0.076 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2nonc2C)C[C@H]1OC 1212256363 XXEJSMYHSFOORM-IACUBPJLSA-N 322.365 -0.268 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)COc1c(C)occc1=O 1213156327 VFEMVOJHEQZYDM-DGCLKSJQSA-N 321.333 -0.334 30 20 DBED C=CCOCCN1C[C@@H](NC(=O)Cc2cncn2C)[C@H](OC)C1 1213718996 JFSGLNXWTUAYOU-HUUCEWRRSA-N 322.409 -0.019 30 20 DBED COC[C@H](O)CN[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C 1214169985 MPOXPMBXRWRISA-IJLUTSLNSA-N 301.412 -0.313 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)c2nocc2C)C[C@H]1C 1216229529 JLGAVEYLDWRXMC-ZYHUDNBSSA-N 304.350 -0.217 30 20 DBED C#CCNC(=O)CC(=O)N1CCO[C@@H]2CN(CCOCC)C[C@@H]21 1217684619 RWWDYOAUPSCCAW-UONOGXRCSA-N 323.393 -0.926 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)COc2c(C)nn(C)c2C)C1 1219638600 YCAVAFFRDRCXCL-KGLIPLIRSA-N 320.393 -0.400 30 20 DBED C#CCC1(C(=O)N[C@@H]2CN(CCOCCO)C[C@@H]2O)CCC1 1219785635 ULIPRYCLCBADSQ-KGLIPLIRSA-N 310.394 -0.650 30 20 DBED C=CCC[C@H](C)N1C[C@H](O)[C@H](NC(=O)CN2CC(=O)NC2=O)C1 1220561970 OGOGPRHLDSTPST-TUAOUCFPSA-N 324.381 -0.946 30 20 DBED C=CCOCCN1CCC(NC(=O)CN2CCNC(=O)C2)CC1 1228569113 IZCYDRVETZPONX-UHFFFAOYSA-N 324.425 -0.799 30 20 DBED C[C@@H](OCC1CC1)C(=O)N(C)C[C@H]1CCN1CC(=O)NCC#N 1231084880 GNKSOJYJGDKOCU-TZMCWYRMSA-N 322.409 -0.026 30 20 DBED CN(C[C@H]1CCN1CC(=O)NCC#N)C(=O)[C@@H]1CCCOC1 1231178868 OFRYSXSGLFKARF-CHWSQXEVSA-N 308.382 -0.415 30 20 DBED CN(C[C@H]1CCN1CC(=O)NCC#N)C(=O)c1cccc(O)n1 1231405858 REQOBGVRLRSNAF-LLVKDONJSA-N 317.349 -0.427 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C[C@H]1CCN1CCN1CCNC1=O 1234265673 KOOGVNXEANWCTP-UONOGXRCSA-N 322.409 -0.417 30 20 DBED Cc1nc(O)[nH]c1C(=O)N(C)C[C@@H]1CCN1CC(=O)NCC#N 1235636097 XXDPDEHGOPMUFY-JTQLQIEISA-N 320.353 -0.790 30 20 DBED C=CCn1cc(CNC(=O)C(=O)Nc2cnn(CC)c2)nn1 1261444173 OSDFLSBAKDCRMC-UHFFFAOYSA-N 303.326 -0.065 30 20 DBED C#CCNC(=O)CN1CCC[C@H](NC(=O)Cc2ccon2)C1 1266208714 FFDMPBDDXHOBTI-ZDUSSCGKSA-N 304.350 -0.453 30 20 DBED COC(=O)CN(CC#N)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1319369195 IUHYFLBXYCOVHW-UHFFFAOYSA-N 308.250 -0.718 30 20 DBED N#CCNC(=O)COC(=O)c1ccc(S(N)(=O)=O)cc1F 1319711689 LXUUFXNDEAYLJN-UHFFFAOYSA-N 315.282 -0.730 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N[C@@H]1CCCS(=O)(=O)C1 1324268742 AMGMGHNNIIXWJN-SNVBAGLBSA-N 324.424 -0.536 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)N[C@@H]2CCC[C@@H]2CCO)C1 1326109621 AOZLFFBCEUEWAS-JMSVASOKSA-N 309.366 -0.469 30 20 DBED C=CC[C@@H](CC)NC(=O)C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 1326982223 ZZKDILMDJYWRPH-GHMZBOCLSA-N 317.411 -0.393 30 20 DBED C#CC1CCN(C(=O)C(=O)N2CC[C@H]3NC(=O)CC[C@@H]3C2)CC1 1328258172 GXQHAIKUMWCSJI-ZIAGYGMSSA-N 317.389 -0.015 30 20 DBED C#CC1CCN(C(=O)C(=O)N2CCO[C@@H](CNC(C)=O)C2)CC1 1328425061 FONIKHBLZFGLJN-AWEZNQCLSA-N 321.377 -0.778 30 20 DBED C[C@@H]1CCN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)C[C@H]1CO 1334713142 QVNWDGCVPMSBTR-TYNCELHUSA-N 309.366 -0.660 30 20 DBED C=CCC1(O)CCN(C(=O)C(=O)N2CCNC(=O)C[C@@H]2C)CC1 1335511062 KTIGBMRKFNVVAY-LBPRGKRZSA-N 323.393 -0.347 30 20 DBED C#CCNCC(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCCN2)C1 1341634673 SAJBWVVDZVTOAC-KGLIPLIRSA-N 306.410 -0.684 30 20 DBED C#CCN(C)c1nnc([C@@H]2CNC(=O)C2)n1C[C@@H]1CCOC1 1348734796 CMVIJQBJJNGKJF-RYUDHWBXSA-N 303.366 -0.013 30 20 DBED C=CCN1CC[C@H](OC(=O)[C@@]2(OC)CCS(=O)(=O)C2)C1=O 1353348992 PYCMOCDNGMYIRP-GXFFZTMASA-N 317.363 -0.480 30 20 DBED N#Cc1cn(CC(=O)N2CCOC[C@H]2C2CCC2)c(=O)nc1O 1362820992 CIXYGBPKUWPKBH-LBPRGKRZSA-N 318.333 -0.152 30 20 DBED Cn1c(=O)[nH]c(NC[C@@H]2CC(=O)N(C3CC3)C2)c(C#N)c1=O 1364168925 IDQYRLXYHVPWOO-QMMMGPOBSA-N 303.322 -0.632 30 20 DBED N#Cc1cnn2c(O)cc(CN3CCOC[C@H]3CC(N)=O)nc12 1365309365 CTAOCMUCBYRWCR-LLVKDONJSA-N 316.321 -0.617 30 20 DBED C[C@H](CN(C)C(=O)c1cn(C)c(=O)n1C)NC(=O)[C@H](C)C#N 1370531698 BEZXWJOJRZPUSL-NXEZZACHSA-N 307.354 -0.540 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)CCc2ccccn2)C1 1371532863 YRPPIZIUMPYRDQ-YUTCNCBUSA-N 316.361 -0.138 30 20 DBED C=C(Cl)CN1[C@H]2CC[C@H]1CN(C(=O)CS(=O)(=O)NC)C2 1373078823 CMETXYXLOHFMPY-QWRGUYRKSA-N 321.830 -0.037 30 20 DBED C[C@@H](CNC(=O)c1ccc2nnc(O)n2c1)NC(=O)[C@@H](C)C#N 1386361838 WLADTVGCTJNYKD-IUCAKERBSA-N 316.321 -0.171 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)c2ccn(C)c2)C1 1390421534 IKJBNYDVTAMSJE-XHDPSFHLSA-N 304.350 -0.122 30 20 DBED CCS(=O)(=O)CC(=O)N(C)C[C@H](C)NC(=O)[C@H](C)C#N 1395601504 NVLZVOJDNBGBBG-ZJUUUORDSA-N 303.384 -0.456 30 20 DBED CCCN(CCNC(=O)[C@H](C)C#N)C(=O)CN1CCCNC1=O 1398264885 BRGIXQALQBBCRO-GFCCVEGCSA-N 323.397 -0.084 30 20 DBED C[C@@H](C#N)C(=O)NC1CN(C(=O)CCCS(C)(=O)=O)C1 1398672867 HLNZOJNQGJXPPL-VIFPVBQESA-N 301.368 -0.702 30 20 DBED Cn1c(=O)[nH]c(NC2CCN([C@@H]3CCOC3)CC2)c(C#N)c1=O 1412900518 NPTAQZIPQRCGNA-LLVKDONJSA-N 319.365 -0.390 30 20 DBED CC1CCN(C(=O)CN2CC(O)(CNC(=O)[C@@H](C)C#N)C2)CC1 1423827251 JFUVQZHMSLXKSA-ZDUSSCGKSA-N 322.409 -0.433 30 20 DBED C[C@@H](C#N)C(=O)N(CCNC(=O)[C@@H]1CCC(=O)NC1)C1CC1 1429939233 ZVDUEOPCINMGJG-WDEREUQCSA-N 306.366 -0.221 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1cc(C2CC2)no1 1431543422 UKNFKWBEDLIQNK-SCZZXKLOSA-N 306.322 -0.081 30 20 DBED Cc1cc(NC(=O)Cn2cc(C#N)c(O)nc2=O)c(=O)n(C)c1 1433783385 QVTDLRAQYYTXPJ-UHFFFAOYSA-N 315.289 -0.534 30 20 DBED C[C@@H](C#N)C(=O)NCCN1CCN([C@H]2CCN(C)C2=O)CC1 1436699733 OJGQXMSTRYZDOH-STQMWFEESA-N 307.398 -0.889 30 20 DBED C[C@H](C#N)C(=O)NC1CC(N(C)C(=O)c2c[nH]c(=O)cn2)C1 1452255751 OXBHOTNVBHQMNE-XNWIYYODSA-N 303.322 -0.351 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)CC[C@H]2CCCN2C)C1 1479956240 VOVAVYICAORRQZ-LSDHHAIUSA-N 320.437 -0.199 30 20 DBED C[C@@H](C#N)C(=O)NCC1CN(CCCS(=O)(=O)N(C)C)C1 1481617456 HZIJYLKTYSRONT-NSHDSACASA-N 316.427 -0.524 30 20 DBED N#Cc1ccc(CNC[C@H](O)CNC(=O)[C@@H]2COC(=O)N2)cc1 1482725251 UCDNXDACQIPOEX-STQMWFEESA-N 318.333 -0.767 30 20 DBED CCn1nc(C(=O)NC[C@@H](C)CNC(=O)[C@@H](C)C#N)ccc1=O 1500321367 AHZMPMLZLIMANO-QWRGUYRKSA-N 319.365 -0.095 30 20 DBED C=C(Cl)CNC[C@H]1CN(C(=O)CN2CCOCC2)CCO1 1502049523 YJPIIEJPQDQSPB-ZDUSSCGKSA-N 317.817 -0.112 30 20 DBED N#CC1(C(=O)O)CCN(C(=O)[C@@H]2CCc3nnnn3CC2)CC1 1571139450 LITMMAHNXNKWEH-SNVBAGLBSA-N 318.337 -0.157 30 20 DBED C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CCN 1574621724 BBKBGTVYOKTGFB-UHFFFAOYSA-N 300.366 -0.568 30 20 DBED C[C@@]1(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)CCCN1 1579471468 JWBUDURYQBUQGV-AWEZNQCLSA-N 303.322 -0.654 30 20 DBED C=CCCC(=O)N1CC(CCO)(NC(=O)[C@H]2C[C@@H]2C(=O)O)C1 1588773666 DGQDDSNYXWDNBB-QWRGUYRKSA-N 310.350 -0.247 30 20 DBED CCCCCNC(=O)Cn1c(N)nc(-c2nn[nH]n2)c1C#N 1590599018 RDDNJXABTVYHTJ-UHFFFAOYSA-N 303.330 -0.177 30 20 DBED CN(C)CC1(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[nH]2)CC1 1591013899 KVHMRTPTAKBJRJ-UHFFFAOYSA-N 301.314 -0.258 30 20 DBED N#Cc1ccc([C@H](O)CN2CCS(=O)(=O)C[C@H]2C(=O)O)cc1 1594618703 XBPCVHJIQJIQGG-QWHCGFSZSA-N 324.358 -0.225 30 20 DBED Cc1onc(CC(=O)NCCC(=O)NCCC(=O)O)c1C#N 1600863751 CUTREPQQNGOILR-UHFFFAOYSA-N 308.294 -0.506 30 20 DBED N#Cc1c(CN2CCN(S(N)(=O)=O)CC2)cccc1C(=O)O 1601081591 ITPFFFZWUWAMLA-UHFFFAOYSA-N 324.362 -0.422 30 20 DBED N#Cc1c(CN2CCN3C(=O)NC(=O)[C@H]3C2)cccc1C(=O)O 1601081777 KJUJLKLFXPMNEL-GFCCVEGCSA-N 314.301 -0.008 30 20 DBED N#Cc1ccc(CNC(=O)CN2C[C@@H](C(=O)O)C[C@@H](O)C2)cc1 1601100696 UXQYVNXQCBWCST-UONOGXRCSA-N 317.345 -0.058 30 20 DBED C=C[C@H](O)C(=O)N1CCN(c2cnccc2-c2nn[nH]n2)CC1 1602804197 TUWPIMKCFISHGI-LBPRGKRZSA-N 315.337 -0.543 30 20 DBED N#Cc1ncn(CC(=O)N2CCC[C@H](N3CCOCC3)CC2)n1 1647195163 UZJQZLJIFNVLNC-ZDUSSCGKSA-N 318.381 -0.137 30 20 DBED COC(=O)C[C@@H](O)CNS(=O)(=O)c1ccc(CC#N)cc1 1647317962 ZZTWEQISZATCNL-LLVKDONJSA-N 312.347 -0.045 30 20 DBED COCCn1nc(C(=O)NCC[C@H](C)NCC#N)ccc1=O 1733905281 CVDFFLLBKQUUCG-NSHDSACASA-N 307.354 -0.489 30 20 DBED CCNC(=O)NC(=O)CN[C@H]1C[C@@H](NC(=O)C#CC(C)C)C1 1752726941 WLPHJTZKHDOIBI-TXEJJXNPSA-N 308.382 -0.272 30 20 DBED C#CCCNC[C@@H]1CCCN(C(=O)CN(C)C(=O)COC)C1 1752798444 ADKORNJYZSBNIV-AWEZNQCLSA-N 309.410 -0.057 30 20 DBED C=CCNC(=O)CNC[C@H]1CCN(C(=O)c2cnnn2CC)C1 1752935436 NLSOFRXORMEZGX-GFCCVEGCSA-N 320.397 -0.348 30 20 DBED C#CCNC(=O)CN1CC[C@@H](CNC(=O)c2cc(CC)[nH]n2)C1 1753120317 QNHDUAGCZVWHLT-LBPRGKRZSA-N 317.393 -0.227 30 20 DBED C=CCCN1CC[C@H](CNC(=O)CNC(=O)CNC(C)=O)C1 1753128702 GCCGIEXRZFGZIK-CYBMUJFWSA-N 310.398 -0.747 30 20 DBED CCCN(C(=O)c1cc[nH]n1)[C@H]1CCN(CC(=O)NCC#N)C1 1753313515 QMBUJVQORVINPD-LBPRGKRZSA-N 318.381 -0.024 30 20 DBED C#CCO[C@H](C)C(=O)NCC1CN([C@@H](C)C(=O)NC2CC2)C1 1753403158 OLRSHAQSHMVQHB-NWDGAFQWSA-N 307.394 -0.260 30 20 DBED C#CCN[C@H](CNC(=O)CCCn1c(O)nnc1O)C(C)C 1753833298 AZJFXPFBSCENMV-LLVKDONJSA-N 309.370 -0.167 30 20 DBED CCCn1nnnc1CNC[C@@H](O)CNC(=O)C#CC1CC1 1753911389 PMDRWXNWBISBBB-GFCCVEGCSA-N 306.370 -0.937 30 20 DBED C=CC(C)(C)C(=O)NC[C@@H](O)CNCC(=O)N1CCOCC1 1753923268 FVAVAINGJRNQBW-LBPRGKRZSA-N 313.398 -0.876 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@@H](C)NC(=O)CC1CCN(C)CC1 1754243253 FLGVTLSZKCZELN-ZIAGYGMSSA-N 322.453 -0.050 30 20 DBED CN(CCCNCCS(C)(=O)=O)C(=O)c1c[nH]c(C#N)c1 1754374908 GVPZCIQWDIKXLA-UHFFFAOYSA-N 312.395 -0.017 30 20 DBED C=CCNC(=O)CNC[C@@H]1CCCN1C(=O)CN1CCOCC1 1754608948 JDXUUIZWNICKPY-AWEZNQCLSA-N 324.425 -0.799 30 20 DBED C#CCNC(=O)CN1CCOC[C@@H]1CNC(=O)/C=C(/C)CC 1754964700 DSBTWWCXRVKOBH-XXYUJHKVSA-N 307.394 -0.091 30 20 DBED C#CCNC(=O)CN(C)CCCN(C)C(=O)[C@@H](C)NC(C)=O 1755032696 AYJQJMOPLUHEOY-GFCCVEGCSA-N 310.398 -0.959 30 20 DBED C=CCNC(=O)CN[C@@H](C)[C@H](C)NC(=O)Cn1ccccc1=O 1755269775 QYPKHCBBHPPJIL-STQMWFEESA-N 320.393 -0.367 30 20 DBED C#CCNCCC[C@H](C)NC(=O)C[C@]1(C)CCS(=O)(=O)N1 1755522416 NKZNGUXECVCOPQ-JSGCOSHPSA-N 315.439 -0.034 30 20 DBED CN(CC#N)CCOCCNC(=O)[C@H]1CCCN(C(N)=O)C1 1755541626 GTWRQDZOQIQCSR-LBPRGKRZSA-N 311.386 -0.635 30 20 DBED C=CCN1CC[C@H](N[C@@H](CO)CNC(=O)c2ccco2)C1=O 1755621761 VSKNLYOPLZSULL-NEPJUHHUSA-N 307.350 -0.253 30 20 DBED COCC#CCN[C@@H](CO)CNC(=O)c1ncc(F)cc1F 1755641681 HXFHZIZAALACJA-LLVKDONJSA-N 313.304 -0.310 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@H](O)CN(C)C(=O)c1nccs1 1755792813 ZLWOVXFPRLAFOH-MNOVXSKESA-N 324.406 -0.697 30 20 DBED C=CCCO[C@@H](C)C(=O)N(C)C[C@@H]1CCCN1C(=O)C(N)=O 1755924858 KVMWTNBFUKXXSF-RYUDHWBXSA-N 311.382 -0.098 30 20 DBED C=CCO[C@@H](C)C(=O)N(C)[C@H](C)CNC(=O)Cn1ncnn1 1756029359 JPAROOUJMNIWLH-MNOVXSKESA-N 310.358 -0.773 30 20 DBED C#CCOc1ccc(C(=O)N[C@H](CO)CNC(=O)COC)cc1 1756500835 GAWURNOLTRRFNF-ZDUSSCGKSA-N 320.345 -0.448 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H](CO)CNC(=O)c1cc(C#N)c[nH]1 1756510793 OZKKEKRJKABWGS-ZYHUDNBSSA-N 320.349 -0.316 30 20 DBED CC(C)C#CC(=O)N[C@H](CO)CNC(=O)CCCCN(C)C 1756537256 APHOAYGXPRSBNM-AWEZNQCLSA-N 311.426 -0.029 30 20 DBED CN(CCC#N)S(=O)(=O)N1CC[C@H](N2CCC(N)CC2)C1 1771747844 QYIRUEYWOGMVNS-ZDUSSCGKSA-N 315.443 -0.426 30 20 DBED C=CCC(=O)N1CC[C@]2(C1)CN(C(=O)Cn1ccnn1)CCO2 1783914183 LIRMIGXJMSKTSE-HNNXBMFYSA-N 319.365 -0.316 30 20 DBED N#CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@H](O)C1 1797147861 KSFOAUJRWFSNCN-ZXGJDPOTSA-N 307.350 -0.739 30 20 DBED Cn1nc(C(=O)N2CC3(CCCN3C(=O)CC#N)C2)cc1O 1842621816 GQWVEDICARJFAC-UHFFFAOYSA-N 303.322 -0.144 30 20 DBED O=C(O)C#CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cnco1 1847927014 MXIWCXSDCUSZRC-UWVGGRQHSA-N 303.274 -0.422 30 20 DBED Cn1c(=O)n(CC(=O)OCC(=O)NCCC#N)c2ccccc21 24117455 IDLXXQFTURGIOF-UHFFFAOYSA-N 316.317 -0.087 30 20 DBED C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(CC(N)=O)CC(N)=O 68340484 WPKAKMCALJPHPU-SECBINFHSA-N 304.306 -0.875 30 20 DBED CC(C)OC(=O)CC/N=C(/N)NCCCN1CCOCC1 104158287 WXFFHXVMHKOCQB-UHFFFAOYSA-N 300.403 -0.045 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(CCO)CCCC)C1=O 270127263 LURZQSRZXAIIFF-UHFFFAOYSA-N 311.338 -0.416 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N1CCN(CCOC)C(=O)C1 271097291 MWVPOUHTGHJGID-LLVKDONJSA-N 312.370 -0.823 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@](C)(CC)CCO)C1=O 272250768 ZHCSHVUCPYTYMM-AWEZNQCLSA-N 311.338 -0.370 30 20 DBED CCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H](O)CO 275580065 BYSDCHDKZJLZIE-JTQLQIEISA-N 307.306 -0.635 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](CO)CC2CCC2)C1=O 279908329 FGERDORJHXADNA-NSHDSACASA-N 323.349 -0.370 30 20 DBED C#Cc1cc(F)c(NC(=O)C(=O)N2C[C@@H](O)[C@H](O)C2)c(F)c1 283578960 KGAKWPQTPPPRTG-GHMZBOCLSA-N 310.256 -0.551 30 20 DBED CCO[C@@H]1C[C@@H](NC(=O)NCCn2cnc(C#N)n2)[C@H]1OC 286984212 GTVZNAHBNKNIRT-CKYFFXLPSA-N 308.342 -0.359 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCC(=O)N(C)CC 288660417 AOCABGZBMFXRGN-YPMHNXCESA-N 311.382 -0.322 30 20 DBED CCCCN/C(N)=N/CCNS(=O)(=O)Cc1ccon1 304814620 ZWDQWMXSBHZSIT-UHFFFAOYSA-N 303.388 -0.202 30 20 DBED CCN1CCN([C@@H](C)C/N=C(/O)Cn2ncn(C)c2=O)CC1 329082274 DNODXXTTXMXGBF-LBPRGKRZSA-N 310.402 -0.436 30 20 DBED CN1CCO[C@@H]2CN(/C(O)=N/C[C@@H]3CCCS3(=O)=O)C[C@@H]21 329701471 HJXBEJVOCHVXLY-SDDRHHMPSA-N 317.411 -0.508 30 20 DBED C[C@H](CN1CCOCC1)N/C(O)=N/C[C@@H]1CCCS1(=O)=O 330079982 OSUSCERFKKVGSP-NEPJUHHUSA-N 319.427 -0.212 30 20 DBED O=C1CN(/C(O)=N/C[C@@H]2COCCO2)CN1CC(F)(F)F 330148264 UPVFPKBCSOXVJP-MRVPVSSYSA-N 311.260 -0.020 30 20 DBED CC[C@@H](C)NC(=O)CC/N=C(/O)N1CCS(=O)(=O)CC1 330491125 NGUSMVLAVYEBSD-SNVBAGLBSA-N 305.400 -0.064 30 20 DBED CC(C)NC(=O)CC/N=C(/O)N[C@H]1CCCS(=O)(=O)C1 330708296 QVYGAIDZDCXEBW-JTQLQIEISA-N 305.400 -0.018 30 20 DBED COc1ncccc1C/N=C(/O)N1CC[C@H](S(N)(=O)=O)C1 331043945 FLEQHSXJXSPHDC-JTQLQIEISA-N 314.367 -0.133 30 20 DBED N#C[C@@H]1COCCN1C(=O)CNC(=O)c1ccc2c(c1)OCO2 332095361 PIAYEZDZAGUBNM-LLVKDONJSA-N 317.301 -0.104 30 20 DBED CC(C)N1CCN(S(=O)(=O)N(C)C[C@@H](C)C#N)CC1=O 336883772 DAGFEVCVSHCOHE-NSHDSACASA-N 302.400 -0.125 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@H]1C=C[C@@H](CO)C1 337071207 ORDPAVQOBIOCQY-NEPJUHHUSA-N 303.384 -0.380 30 20 DBED OC[C@H](NCC#CCN[C@H](CO)[C@@H]1CCCO1)[C@H]1CCCO1 342164827 KXOULSHTMNBNAB-SYMSYNOKSA-N 312.410 -0.751 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@H]3[C@H](O)CC[C@H]3C2)C1=O 345499531 SXTCMICDLMVEJK-HBNTYKKESA-N 321.333 -0.808 30 20 DBED C[C@@H](C#N)S(=O)(=O)N1CCN([C@H](C)C(=O)NC2CC2)CC1 352414328 TUAYHMUMUHICFQ-WDEREUQCSA-N 314.411 -0.487 30 20 DBED Cn1nnnc1CS(=O)(=O)CC(=O)Nc1ccc(C#N)cc1 356498985 BCVPNPZKRORGNO-UHFFFAOYSA-N 320.334 -0.365 30 20 DBED COC(=O)[C@H]1CN(S(=O)(=O)N(C)[C@H](C)CC#N)C[C@@H](C)O1 367026526 MZZRXTCVFYFUHK-GMTAPVOTSA-N 319.383 -0.273 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H](CN)CC(C)C)C1=O 419973804 HBGUTCWDFFYHFH-STQMWFEESA-N 324.425 -0.279 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N[C@@H]2CCCCNC2)nn1 424537956 CWIYHTSPORMMFO-LLVKDONJSA-N 306.370 -0.661 30 20 DBED C=CCn1cc(CNC(=O)C(=O)NCC[C@H]2CCCN2)nn1 424549589 RRFGQKJVSRQIOK-LLVKDONJSA-N 306.370 -0.661 30 20 DBED COCC[C@@H](NS(=O)(=O)c1ccc(C#N)c(F)c1)C(N)=O 489702021 GPQURSUQXRRVOW-LLVKDONJSA-N 315.326 -0.134 30 20 DBED CN([C@@H]1CCN(S(C)(=O)=O)C1)S(=O)(=O)CCCCC#N 490075193 KPFQNAWKIZKFAM-LLVKDONJSA-N 323.440 -0.024 30 20 DBED C#CCN1CCN(C(=O)CN2CCCC[C@@H]2C(=O)NC)CC1 490851697 HRHREAPMOCOYCE-CQSZACIVSA-N 306.410 -0.636 30 20 DBED C#CCNC(=O)CN1CCN(CC(=O)NC2CCCCC2)CC1 491627693 MROGULYDWLIDHR-UHFFFAOYSA-N 320.437 -0.198 30 20 DBED C#CCNC(=O)C1CCN([C@H](C)C(=O)NC(=O)NCC=C)CC1 491783719 JZEDYIWYXWRNGR-GFCCVEGCSA-N 320.393 -0.152 30 20 DBED CN1CCN(C(=O)C(=O)NCc2ccc(C#N)cc2)[C@H](CN)C1 569579197 XMPTXOSBAPAQOP-CQSZACIVSA-N 315.377 -0.724 30 20 DBED CN1CCN([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)CC1=O 579359471 MFKMJXYRBCZHKJ-ZDUSSCGKSA-N 312.329 -0.036 30 20 DBED C[C@@H]1CN(C(=O)C(=O)N2CCN(CCC#N)CC2)CC[C@H]1N 601585675 XOPLSKABXFJNOX-CHWSQXEVSA-N 307.398 -0.760 30 20 DBED C[C@H](NC(=O)C(=O)N1CCN(CCC#N)CC1)c1cnn(C)c1 602248905 YCLWNFKDJADCGM-LBPRGKRZSA-N 318.381 -0.345 30 20 DBED C=C[C@@H](C(=O)OC)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 619717569 RNJJFWPDKKGALQ-NSHDSACASA-N 323.349 -0.993 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2C[C@@H]3CC[C@H](C2)N3)C1=O 633100913 KFQZSUWLAXACMQ-XQQFMLRXSA-N 320.393 -0.806 30 20 DBED C#CCCCS(=O)(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 710227116 SBDHZQKHPWKERT-LLVKDONJSA-N 308.425 -0.257 30 20 DBED C#CCOc1ccc(NC(=O)C(=O)N2CC[C@@H](C(N)=O)C2)cc1 731127091 SHSLUMNKWHAHMR-LLVKDONJSA-N 315.329 -0.029 30 20 DBED C=CCNC(=O)[C@@H](C)OC(=O)C1CCC2(CC1)NC(=O)NC2=O 731909492 YGIUQYVEFUVEDG-SBTGLGLWSA-N 323.349 -0.011 30 20 DBED C#CCCNC(=O)C(=O)Nc1cc(-c2nn[nH]n2)ccc1OC 735376139 ZELLTTLBSODSBV-UHFFFAOYSA-N 314.305 -0.047 30 20 DBED CCN(CCC#N)C(=O)COC(=O)C(C)(C)NS(C)(=O)=O 751696598 QYLDOVHOKNUTEG-UHFFFAOYSA-N 319.383 -0.380 30 20 DBED COC1(C)CN(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1 753166748 JPHNPTKVLXPMGJ-QXMHVHEDSA-N 308.338 -0.057 30 20 DBED CNS(=O)(=O)C[C@H]1CCCN1Cn1ccc(C)c(C#N)c1=O 758233761 WNCDLUKNTBGSNX-GFCCVEGCSA-N 324.406 -0.001 30 20 DBED C=CCS(=O)(=O)CCNC1CCN(CC(=O)OC)CC1 768519629 UGZRNDIBIYAWPB-UHFFFAOYSA-N 304.412 -0.186 30 20 DBED C#CCNC(=O)COC(=O)c1c(C)nn(C)c1-n1cccn1 778476320 OVRIWPVALMSYPM-UHFFFAOYSA-N 301.306 -0.180 30 20 DBED Cn1cnn(CC(=O)OCC(=O)c2cccc(C#N)c2)c1=O 781262341 BYGAIVDXUYLROG-UHFFFAOYSA-N 300.274 -0.120 30 20 DBED N#CC1(NC(=O)COC(=O)CCN2C(=O)CCC2=O)CCC1 784193713 WNGLQNVQCUAFOW-UHFFFAOYSA-N 307.306 -0.369 30 20 DBED N#CC1(NC(=O)COC(=O)Cn2cc([N+](=O)[O-])cn2)CCC1 784199478 LZQHKHDMCXSJTN-UHFFFAOYSA-N 307.266 -0.103 30 20 DBED C#CCOc1ccccc1NC(=O)C(=O)N(C)[C@H]1CCNC1=O 785290142 KZMOFZJPQCTFNP-LBPRGKRZSA-N 315.329 -0.016 30 20 DBED CNS(=O)(=O)[C@H]1CCN(S(=O)(=O)CC(C)(C)C#N)C1 790039759 VAQXCOAEGRZZJG-VIFPVBQESA-N 309.413 -0.511 30 20 DBED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1cc(C(=O)OC)n(C)c1 799284814 OORFNPYEXNHIKO-LLVKDONJSA-N 321.333 -0.359 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@@H](C)c1cnn(C)c1)[C@@H]1CCCO1 805731596 GKMGVSCGIURXTM-DRZSPHRISA-N 304.350 -0.106 30 20 DBED C#CCCCNC(=O)C(=O)N1CCC[C@H]1CN1CCOCC1 806912310 LWHCZCRRLAELJW-AWEZNQCLSA-N 307.394 -0.161 30 20 DBED C=CCCn1cc(C(=O)NS(=O)(=O)N2CCOCC2)nn1 820124320 VBSOHMFKLCADOA-UHFFFAOYSA-N 315.355 -0.839 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@H](OCCN2CCOCC2)C1 826928835 KCAGVNBEKTUKSZ-GJZGRUSLSA-N 310.394 -0.026 30 20 DBED C#CC[C@@H](NS(=O)(=O)CCCC(=O)OCC)C(=O)OC 841541544 UNBFWRKQWZXPNS-SNVBAGLBSA-N 305.352 -0.186 30 20 DBED CN(C)c1nc(N)nc(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)n1 846635299 RJKVRJSGFBTELV-JTQLQIEISA-N 316.369 -0.668 30 20 DBED C=CCN(C(=S)NCCNS(C)(=O)=O)[C@H](C)COC 849277158 PWPFCPYUIFSBDD-SNVBAGLBSA-N 309.457 -0.067 30 20 DBED C#CC[C@H](CCOC)NC(=O)NCCS(=O)(=O)N(C)C 858474322 AMIRVUQXXABTQR-LLVKDONJSA-N 305.400 -0.395 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N[C@H](C)Cn1ccnc1 875090793 QRPRYDOLMCDLRV-OLZOCXBDSA-N 306.366 -0.068 30 20 DBED C#CCN1CCC[C@@H](NC(=O)[C@@H](CCC)S(N)(=O)=O)C1 923559514 HBEYETURJVZNEC-VXGBXAGGSA-N 301.412 -0.343 30 20 DBED CN(C(=O)[C@@]1(C)CCNC1=O)[C@@H]1CCN(C(=O)C#CC2CC2)C1 937351935 CVOGBURDEKLOTG-DYVFJYSZSA-N 317.389 -0.015 30 20 DBED N#Cc1cc(C(=O)N[C@H]2CCN(C(=O)[C@H]3COCCO3)C2)c[nH]1 937851524 OXYUKIIESYGWBE-WCQYABFASA-N 318.333 -0.368 30 20 DBED CO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)c1csnn1 943732494 BWVIOSSWYIKRIR-ZYHUDNBSSA-N 320.374 -0.093 30 20 DBED C[C@H](C#N)C(=O)N1CCC(NC(=O)[C@H]2COCCN2C)CC1 948096249 IKZNIZAMFJLPSS-DGCLKSJQSA-N 308.382 -0.416 30 20 DBED C#CCCN1CCC[C@@H](N(C)C(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 948821023 XACLOCRSNVJSIO-OLZOCXBDSA-N 320.393 -0.079 30 20 DBED Cn1cc(C(=O)N2CC[C@H]2CNC(=O)c2cc(C#N)c[nH]2)nn1 949283384 MKZVRMRGUQZAQZ-JTQLQIEISA-N 313.321 -0.341 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CNC(=O)[C@@H]2COCCN2C)CC1 949390919 MRJANTIAIZQSNK-OCCSQVGLSA-N 322.409 -0.169 30 20 DBED O=C1CC[C@@H](C(=O)N[C@@H]2CCCN(C(=O)C#CC3CC3)C2)N1 950761829 OGDGLSPGZSLPTE-OLZOCXBDSA-N 303.362 -0.214 30 20 DBED C[C@@H](C#N)C(=O)N1CC(N(C)C(=O)C(C)(C)N2CCOCC2)C1 954780718 NSLSLDJGKBXKOE-LBPRGKRZSA-N 322.409 -0.074 30 20 DBED C#CCN1CCC(C(=O)N2CCN([C@@H]3CCNC3=O)CC2)CC1 957776995 ZTBNGWUYBBUABK-OAHLLOKOSA-N 318.421 -0.636 30 20 DBED C[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 957778828 KXFFYUZKDPXJNT-LDYMZIIASA-N 313.321 -0.105 30 20 DBED C#CCN1C[C@@H]2C(NC(=O)c3cncc(-n4ccnn4)c3)[C@H]2C1 961379307 DWVPTHFHCJEZSA-KBPBESRZSA-N 308.345 -0.045 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)CC2CCOCC2)C1 961975171 UEVQAHLGBZFABP-RTXFEEFZSA-N 309.366 -0.349 30 20 DBED COc1cc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)sn1 964614120 YIYBAGPNKVEKDF-HLTSFMKQSA-N 324.362 -0.387 30 20 DBED C[C@H](C#N)C(=O)N1CC2(C[C@H](NC(=O)c3ccncn3)CO2)C1 965783755 WMAQPSKPIPCZAW-MNOVXSKESA-N 315.333 -0.264 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C2CN(C(=O)c3cnon3)C2)CC1 967245852 VSYDKFCMIKZCIJ-SNVBAGLBSA-N 318.337 -0.802 30 20 DBED C#CCN1CC([C@H](C)NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 970243780 YAZVPQZAYHCSEK-VIFPVBQESA-N 314.353 -0.623 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2CN(C(=O)COC)C[C@@H]2O)c1 970409179 LQANCVWYPVECOO-OLZOCXBDSA-N 303.318 -0.989 30 20 DBED C[C@@]12CN(CC#N)C[C@]1(C)CN(C(=O)CN1CCNC(=O)C1)C2 982431341 IGCPJWQDSWKOHR-IYBDPMFKSA-N 319.409 -0.888 30 20 DBED C[C@H]1C[C@@H](NCC#N)CN1C(=O)CN1C(=O)CC(C)(C)C1=O 988846564 WPECVJMHIHHBAX-WDEREUQCSA-N 306.366 -0.126 30 20 DBED CN1CC[C@@H](C(=O)N2CC(NC(=O)c3c[nH]c(C#N)c3)C2)C1 990933598 ZSFKPIYUICDJFT-SNVBAGLBSA-N 301.350 -0.221 30 20 DBED O=C(N[C@@H]1CCN(C(=O)C#CC2CC2)C[C@H]1O)c1cocn1 991325115 BFAVCUGDFMPHBG-DGCLKSJQSA-N 303.318 -0.220 30 20 DBED Cc1nnc2n1C[C@@H](C(=O)NC1CN(C(=O)[C@H](C)C#N)C1)CC2 992757898 WPJBTKCRLMTDFL-KOLCDFICSA-N 316.365 -0.364 30 20 DBED CO[C@H]1C[C@H](C(=O)N2C[C@H](NCC#N)C(C)(C)C2)N(C(C)=O)C1 996092247 OXOLMHMTKNMGSG-MJBXVCDLSA-N 322.409 -0.028 30 20 DBED C=CCn1cc(C(=O)N2CC(CNC(=O)c3cn[nH]c3)C2)nn1 1001031510 HQXWCMKZDYWUDG-UHFFFAOYSA-N 315.337 -0.311 30 20 DBED CN1CCOC[C@H]1C(=O)NCC1CN(C(=O)C#CC2CC2)C1 1001494640 VTZCANGLMNXRJH-AWEZNQCLSA-N 305.378 -0.695 30 20 DBED C#CCCN1CCC[C@@H](NC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 1008015778 NEFYIFLTYPDZRS-OCCSQVGLSA-N 315.377 -0.031 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CCN(CCN3CCNC3=O)C2)c1 1010467520 DKZVWGOKIXDJHZ-GFCCVEGCSA-N 316.365 -0.284 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C(=O)[C@@]2(C)CCNC(=O)C2)CC1 1011322947 DZEMVHPUUFBWTI-NHYWBVRUSA-N 306.366 -0.267 30 20 DBED C=CCN1CC[C@H](N2CC[C@@H](NC(=O)c3nonc3C)C2)C1=O 1016418529 YUHSQUHKFUCWST-NEPJUHHUSA-N 319.365 -0.031 30 20 DBED C=CCN1CC[C@H](N[C@H]2C[C@@H](NC(=O)C3=COCCO3)C2)C1=O 1021802530 QBTXVWRUGOOFIV-XQQFMLRXSA-N 321.377 -0.102 30 20 DBED C=C(C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnn(C)n2)C1 1024651802 ONWHWKMIVIUEKI-VXGBXAGGSA-N 321.381 -0.281 30 20 DBED C=CCCn1cc(C(=O)NC[C@H]2CCCCN2CC(N)=O)nn1 1024699157 OWMQIUUHVQIWKE-GFCCVEGCSA-N 320.397 -0.076 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)Cn3cccn3)C[C@H]2O)C1 1025524405 PAGCSTYOGVMFAO-CHWSQXEVSA-N 318.377 -0.073 30 20 DBED C=CCCN1CCC[C@H]1CNC(=O)c1cn(CC(N)=O)nn1 1028334877 JMPWGALDDVYXQK-NSHDSACASA-N 306.370 -0.466 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)c3nonc3C)C2)C1=O 1031479827 PNCORSHEEQJWHK-LLVKDONJSA-N 305.338 -0.421 30 20 DBED C=CCN1CC[C@@H](N2CC(CNC(=O)c3cn(C)nn3)C2)C1=O 1031650884 FGFSSWBHKDTPLD-CYBMUJFWSA-N 318.381 -0.736 30 20 DBED C#Cc1ccc(C(=O)NCC2CN(Cc3nc(O)n[nH]3)C2)cn1 1032137137 LMBVWNQIWRKTPF-UHFFFAOYSA-N 312.333 -0.252 30 20 DBED C#CCN1CCO[C@H](CNC(=O)c2ccnn2CCOC)C1 1035411799 MTRBDBUQQDLWKD-CYBMUJFWSA-N 306.366 -0.407 30 20 DBED C=CCN[C@H]1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)C[C@@H]1C 1036216675 DOUNJCBTOUSRCO-STQMWFEESA-N 320.393 -0.061 30 20 DBED Cc1ccc(=O)n(CC(=O)N2CC[C@H]3[C@@H](CCN3CC#N)C2)n1 1036874539 KUHZDDBGHAFVTA-KBPBESRZSA-N 315.377 -0.002 30 20 DBED C=CCCN1C[C@H]2C[C@H]1[C@H]2NC(=O)Cn1cnc(C(N)=O)n1 1037413029 RNXCEGUXTMDKGN-SCVCMEIPSA-N 304.354 -0.858 30 20 DBED N#CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)Cn1nc2n(c1=O)CCCC2 1037665367 VPAYPMFFTKBNGD-UHIISALHSA-N 316.365 -0.906 30 20 DBED C=CCN[C@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C[C@H]1CC 1037985831 XOAVHILTRKHUHN-NEPJUHHUSA-N 320.397 -0.220 30 20 DBED C=C(C)CN1CC[C@@H]1CNC(=O)c1cn(CC(=O)N(C)C)nn1 1039052212 KEWJXTJCSTUGFK-GFCCVEGCSA-N 320.397 -0.254 30 20 DBED CN(C[C@H]1CCCCN1C(=O)C(N)=O)c1ccnc(C#N)n1 1039977269 JNIXHKSEPHBHTD-SNVBAGLBSA-N 302.338 -0.349 30 20 DBED C=CCCCC(=O)NC[C@@]1(O)CCN(C(=O)[C@H]2CNC(=O)N2)C1 1040729498 QJXLAGPPERMBTK-ABAIWWIYSA-N 324.381 -0.896 30 20 DBED C[C@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)C2(N(C)C)CCC2)C1 1040759352 HUWFWHNGQVRNDD-DOMZBBRYSA-N 322.409 -0.290 30 20 DBED C=C(C)CCC(=O)N1CC[C@](O)(CNC(=O)Cc2nc[nH]n2)C1 1040968886 QHBUWBBHDSGXPE-HNNXBMFYSA-N 321.381 -0.217 30 20 DBED Cc1nc(C(=O)N[C@@H]2CN(c3cnc(C#N)cn3)C[C@H]2O)co1 1040990496 QZNFEFNLRRTKBC-ZYHUDNBSSA-N 314.305 -0.376 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)Cc2cc[nH]n2)C1 1042273916 ZJZXIGDFVFZRHJ-NSHDSACASA-N 322.365 -0.767 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)C2(COC)CC2)C1 1042805706 SCSOQQMPBPZLDS-UHFFFAOYSA-N 308.378 -0.094 30 20 DBED Cc1nc[nH]c1CC(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042959990 AIJOLMUXGCZEHD-UHFFFAOYSA-N 316.361 -0.636 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)c2ccccn2)C1 1043032852 KEGPMDBROZBKTG-UHFFFAOYSA-N 317.345 -0.575 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)[C@H]2CO[C@@H](C)C2)C1 1043037013 XAEQBHLWXVCTRU-QWHCGFSZSA-N 324.377 -0.859 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)CCc2ccncn2)C1 1043323058 SVNGVTUJLQEHBN-NSHDSACASA-N 317.349 -0.742 30 20 DBED C=CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)Cn2cccn2)C1 1043568829 OYDSCQLFXFTDGN-LBPRGKRZSA-N 322.365 -0.836 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@@H](C)CO2)C1 1044573307 ZZRWMBASSAAFKZ-OLZOCXBDSA-N 324.377 -0.859 30 20 DBED Cc1ncc(C(=O)N2CC(O)(CNC(=O)[C@@H](C)C#N)C2)n1C 1045563996 ANOHDAAGAJGROS-VIFPVBQESA-N 305.338 -0.809 30 20 DBED C#CCCN1CCC(C)(NC(=O)[C@H]2CCS(=O)(=O)N2)CC1 1045642692 MGNOSDDWBFLDRJ-GFCCVEGCSA-N 313.423 -0.328 30 20 DBED C#CCN1CC[C@H](N2CCN(C(=O)Cc3ccnn3C)CC2)C1 1046022061 KTIPFZVHTWMSAN-INIZCTEOSA-N 315.421 -0.186 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)c2conc2CC)C1 1046211407 XEYLARVAACDITR-UHFFFAOYSA-N 323.349 -0.257 30 20 DBED C=CCOCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CNC(N)=O)C2 1047399444 PCYYRMBWWAMRMC-SRVKXCTJSA-N 324.381 -0.647 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)Cc2c(C)nc(C)nc2O)C1 1047623924 WRTCNOHQBXMRBU-KBPBESRZSA-N 318.377 -0.522 30 20 DBED COCCCCC(=O)N(C)[C@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1O 1048515328 WPOMCFZEACLXPT-AGIUHOORSA-N 311.382 -0.007 30 20 DBED C#CCCCC(=O)N(C)[C@H]1CN(C(=O)Cn2ccnc2)C[C@@H]1O 1048758130 ZBMUWHCDLFSTCM-KBPBESRZSA-N 318.377 -0.283 30 20 DBED CCN(C)CCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)C#N)C1 1049393719 DJEDPOJJGQLCMA-AGIUHOORSA-N 310.398 -0.482 30 20 DBED CCN(C)CCC(=O)N(C)[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 1049543163 VKZXUMUCOAKJNN-GJZGRUSLSA-N 321.421 -0.228 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H]([C@H](C)NC(=O)C(F)F)C1 1050489256 AIECFQNJJNQJLJ-VHSXEESVSA-N 315.320 -0.256 30 20 DBED CCCN1C[C@H](C(=O)NC[C@@H]2COCCN2CC#N)CC1=O 1051138472 XRPBUMGYQPWKMG-CHWSQXEVSA-N 308.382 -0.415 30 20 DBED C=C1CC(C)(C(=O)N2CCO[C@H](CNCc3nnn(C)n3)C2)C1 1051815733 ZZSKDHIUOZXFSU-GFCCVEGCSA-N 320.397 -0.117 30 20 DBED C=CCCOCC(=O)N1C[C@H](C)[C@H](CNC(=O)CC(N)=O)C1 1052833831 LVGIGXSRKOJREZ-NWDGAFQWSA-N 311.382 -0.335 30 20 DBED C=C(C)CN1CC2(C1)CN(C(=O)c1nnc(O)nc1O)CCO2 1053327246 WXQKLYJZBACJDC-UHFFFAOYSA-N 321.337 -0.614 30 20 DBED C=CCCN1CC2(C1)CN(C(=O)CN1C(=O)CNC1=O)CCO2 1053527362 PZDOIGDSFQEIKL-UHFFFAOYSA-N 322.365 -0.973 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)c3cnc4n3CCOC4)CO2)C1 1053835695 PEOLDAQLPQAOTK-LBPRGKRZSA-N 316.361 -0.380 30 20 DBED C=C[C@@H](CC)CC(=O)NC1CCN(CCNC(=O)C(N)=O)CC1 1055629842 LUFUQXVGYRBXFQ-LBPRGKRZSA-N 324.425 -0.229 30 20 DBED C#CCN1CCC(C(=O)N2CCC[C@@](CO)(NC(C)=O)C2)CC1 1055677620 QPVBQRZYPOTEJV-QGZVFWFLSA-N 321.421 -0.179 30 20 DBED CC#CCCCC(=O)N[C@@]1(CO)CCCN(C(=O)C(N)=O)C1 1056058435 HHJQHZPKGRDSRK-HNNXBMFYSA-N 309.366 -0.865 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)c1ccncn1 1057194127 YKQSUINAALFTJO-UHFFFAOYSA-N 308.338 -0.770 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)CC1OCCCO1 1057423573 FCKZTRFDRIMTMG-NSHDSACASA-N 313.354 -0.764 30 20 DBED C#CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)c1[nH]ccc1C 1057471787 CZFWDVAQRQCHSQ-ZDUSSCGKSA-N 321.377 -0.088 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)CN1CCCC1=O 1057516982 FZWDZRGFSFRRPP-UHFFFAOYSA-N 323.393 -0.795 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)[C@@H](C)n1cncn1 1057516997 HACQSRPKBYSFGD-CYBMUJFWSA-N 321.381 -0.564 30 20 DBED C[C@@H]1CO[C@@H](C(=O)NCCN(CCO)C(=O)C#CC2CC2)C1 1057533560 RNDBJSFAMZFXRY-GXTWGEPZSA-N 308.378 -0.238 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCCN(CCO)C(=O)C#CC1CC1 1057535589 CLPMGNZCYUMYTH-CABCVRRESA-N 320.389 -0.072 30 20 DBED C=CCC(C)(C)C(=O)N(CCO)CCNC(=O)c1nc[nH]n1 1057599032 OQMUJCAGBQBONQ-UHFFFAOYSA-N 309.370 -0.042 30 20 DBED C#CCO[C@H](C)C(=O)NCCN(CCO)C(=O)Cc1ccc[nH]1 1057792787 GOQLXIOVNDHNSV-CYBMUJFWSA-N 321.377 -0.467 30 20 DBED N#Cc1ccc(N2CCC[C@@H](NC(=O)Cn3nccn3)C2)nn1 1058199805 GFULPHFPTGVJSL-GFCCVEGCSA-N 312.337 -0.275 30 20 DBED N#Cc1cncc(N2CC[C@H](NC(=O)[C@@H]3CCNC3=O)C2)n1 1058507488 GJBKZHANWQUHOQ-GXSJLCMTSA-N 300.322 -0.821 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)CCCn1cncn1 1058820095 JIJPDUBKWXUUPR-GFCCVEGCSA-N 322.369 -0.845 30 20 DBED C#CCNC(=O)CC(=O)N1CCOC[C@@H]1CNC(=O)/C(C)=C\C 1061481341 GJFNYGAGNAPOBC-XLVZXTRVSA-N 321.377 -0.564 30 20 DBED Cc1nonc1C(=O)NC[C@H]1COCCN1C(=O)C#CC(C)C 1061686374 YRIVXCLZOYCPSO-LBPRGKRZSA-N 320.349 -0.005 30 20 DBED Cc1ncc(C(=O)N2CCOC[C@H]2CNC(=O)[C@@H](C)C#N)[nH]1 1061845773 LAWXFSPEIMSFEI-GXSJLCMTSA-N 305.338 -0.165 30 20 DBED Cc1c(C(=O)N2CCOC[C@H]2CNC(=O)[C@@H](C)C#N)nnn1C 1061847530 TTZVPCOGWFJJNZ-GXSJLCMTSA-N 320.353 -0.760 30 20 DBED Cn1cnc(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccnc(C#N)n2)n1 1062486682 VJOFVVQHNZCYJD-UWVGGRQHSA-N 310.321 -0.420 30 20 DBED CNC(=O)CC(=O)NCC1(NC(=O)CSCC#N)CCC1 1062842780 FGWVGRCRNHRBAH-UHFFFAOYSA-N 312.395 -0.466 30 20 DBED N#Cc1nccnc1N1C[C@H]2C[C@H]1[C@@H]2NC(=O)Cn1nccn1 1064300725 HGQQREFVDKTPKR-SUZMYJTESA-N 310.321 -0.667 30 20 DBED Cc1cc(=N[C@@H]2CCN(C(=O)C(N)=O)[C@H](C)C2)c(C#N)c[nH]1 1064823007 KZVCLRQZOHOJGP-ZYHUDNBSSA-N 301.350 -0.040 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)CCNC(N)=O)CCO1 1065141360 DGDZUPODMCNCKJ-LLVKDONJSA-N 312.370 -0.645 30 20 DBED C[C@H](Nc1nccnc1C#N)[C@H]1CCN(C(=O)CC(N)=O)C1 1065684528 QWMZJSAGNBXIPK-UWVGGRQHSA-N 302.338 -0.127 30 20 DBED C[C@H]1CN(C(=O)CC(N)=O)C[C@H]1CNc1nccnc1C#N 1065828160 FWLGXYHIOPKEOD-VHSXEESVSA-N 302.338 -0.270 30 20 DBED C#CCNC(=O)CC(=O)N(C)CCCN(C)C(=O)COCC 1066719099 BPDNIXRSNHZDLM-UHFFFAOYSA-N 311.382 -0.531 30 20 DBED C[C@H]1CN(C(=O)Cn2ncnn2)C[C@H]1N=c1cc[nH]cc1C#N 1067149031 MCADSHWPFFDZST-GXFFZTMASA-N 312.337 -0.679 30 20 DBED C[C@H](C#N)C(=O)N(C)CCCN(C)C(=O)[C@H]1COCCN1C 1067233410 LKFZLITZLYSFFL-CHWSQXEVSA-N 310.398 -0.216 30 20 DBED C[C@@H](Nc1ncccc1C#N)[C@@H]1CN(C(=O)CC(N)=O)CCO1 1068228165 WFRFSTLFGJEMAA-PWSUYJOCSA-N 317.349 -0.144 30 20 DBED C=CCCC(=O)N1CC2(C[C@@H](NC(=O)[C@H]3COC(=O)N3)CO2)C1 1068842098 GAHHMNIGWLSSJS-GHMZBOCLSA-N 323.349 -0.453 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H]2CC(=O)N(C)C2)C1 1069941999 ICPOVTGQCUPOSS-XQQFMLRXSA-N 318.381 -0.716 30 20 DBED CNC(=O)CC(=O)NC1(CNC(=O)C#CC2CC2)CCOCC1 1070086268 OGXYNZCVHNJSNO-UHFFFAOYSA-N 321.377 -0.683 30 20 DBED C=C(C)CN[C@@H]1CN(C(=O)[C@H]2COCCO2)C[C@@H]1n1ccnn1 1070147181 WUUWCBHUAMQZAR-HZSPNIEDSA-N 321.381 -0.389 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@@H](NC(=O)CCOC)C1 1070636126 KAMJYWQPTBAIRO-GFCCVEGCSA-N 309.366 -0.730 30 20 DBED Cn1ncc(C(=O)N2C[C@@H](NCC#N)[C@H](c3cncn3C)C2)n1 1070702026 JAVSHEDCFJJGOH-ZYHUDNBSSA-N 314.353 -0.730 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)[C@@H]2CN(C)CCO2)CC1 1070949588 MKBQWNZOSATEAX-AWEZNQCLSA-N 324.425 -0.847 30 20 DBED C=CCN1CC[C@]2(C1)CN(C(=O)c1nnn(C)n1)C[C@@H](C)O2 1071196880 JVMFMUQDPRIPFP-RISCZKNCSA-N 306.370 -0.299 30 20 DBED C=C(C)CN1C[C@H](NC(=O)CN2CCNC(=O)C2)CC[C@H]1C 1071738394 BRBGPLLOWGXDTI-ZIAGYGMSSA-N 308.426 -0.037 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(C(=O)C2(NC(N)=O)CC2)C[C@H]1C 1071925266 ITTVYNRUJKKVNX-VXGBXAGGSA-N 320.393 -0.046 30 20 DBED C#CCOCCC(=O)N1C[C@@H](NC(=O)c2cnnn2C)[C@H](C)C1 1072097986 UIKVEFMFTIHYNX-VXGBXAGGSA-N 319.365 -0.568 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(C(=O)c2[nH]nnc2C)C[C@H]1C 1072494421 YIAPADKASWTKDT-ZYHUDNBSSA-N 319.365 -0.270 30 20 DBED CC#CCCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)c2nnn(C)n2)C1 1072564438 UTHUZLVRWGPKGF-NEPJUHHUSA-N 318.381 -0.020 30 20 DBED N#CCN1CCCO[C@H](CNC(=O)[C@@H]2CCCc3nn[nH]c32)C1 1073749403 YGMABVGQPNRSNP-VXGBXAGGSA-N 318.381 -0.045 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)CCN3CCOCC3)C[C@H]21 1074359306 DBQCXHPWEUXKEO-HZPDHXFCSA-N 321.421 -0.356 30 20 DBED C[C@@H](CCNC(=O)C#CC1CC1)NC(=O)COCCN(C)C 1076424137 HYRHTOBYKNNSLU-ZDUSSCGKSA-N 309.410 -0.011 30 20 DBED C[C@@H](CCNC(=O)c1cn(C)c(=O)n1C)NC(=O)[C@H](C)C#N 1077039743 MIPHMRCSFNFAIU-ZJUUUORDSA-N 307.354 -0.492 30 20 DBED C=CCCn1cc(C(=O)N[C@@H]2CN(CCCO)C[C@H]2O)nn1 1077813991 NLAOJPLJDUHLGG-DGCLKSJQSA-N 309.370 -0.989 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCCCN2C(C)=O)C1 1077825278 MJUGWGFAOQWVBC-BZUAXINKSA-N 321.421 -0.038 30 20 DBED C[C@@H](CCNC(=O)[C@H](C)C#N)NC(=O)COCc1ncnn1C 1078136559 PHGWCYQJJSQXCX-MNOVXSKESA-N 322.369 -0.498 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)Cc2nc3ncccn3n2)C1 1078173115 ICLCTOXFAHOSKZ-VXGBXAGGSA-N 316.365 -0.596 30 20 DBED O=C1NCC[C@@H]1NC[C@@H]1CN(C(=O)C#CC2CC2)CCCO1 1078399053 WTVGKXDFIULQLG-KGLIPLIRSA-N 305.378 -0.505 30 20 DBED C=CCN[C@@H]1C[C@H](NC(=O)CN2C(=O)CNC2=O)C12CCC2 1078803238 LQHCCJCSZWSACS-MNOVXSKESA-N 306.366 -0.259 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC[C@H](N(C)C(=O)CC(N)=O)CC1 1078896921 WEGAGEUTMQCHFX-OLZOCXBDSA-N 323.393 -0.260 30 20 DBED C=CCO[C@H](C)C(=O)N(C)[C@H]1CCCN(C(=O)C(N)=O)CC1 1078990986 OBIXJKICHVNEAJ-NEPJUHHUSA-N 311.382 -0.098 30 20 DBED C#CCNC(=O)CC(=O)N(CC)C1CN(C(=O)[C@H]2CCOC2)C1 1079644439 FSVBTJXXKGLAQK-LBPRGKRZSA-N 321.377 -0.778 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@@H]2CCc3nnc(O)n3C2)[C@H](C)C1 1079985090 XVWZCYAPPIPNET-IJLUTSLNSA-N 303.366 -0.384 30 20 DBED CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)c2nccnc2N)C1 1080411777 UAUXFJUQKKDFSG-VIFPVBQESA-N 302.338 -0.109 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)COCC)C[C@H]1O 1081343941 JVEDHOYWNNVDMA-NWDGAFQWSA-N 300.355 -0.839 30 20 DBED C#CCCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2ncc[nH]2)C1 1081455091 ILGQPCCYGABLNM-VXGBXAGGSA-N 304.350 -0.238 30 20 DBED Cc1c[nH]c(C(=O)N2C[C@@H](O)[C@H](CNC(=O)C#CC3CC3)C2)n1 1081474542 RPALAYFBWMGTQD-CHWSQXEVSA-N 316.361 -0.319 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@@]2(C)CCN(C(C)=O)C2)[C@H](OC)C1 1082311267 DEYJCIFBANSDCA-FMKPAKJESA-N 307.394 -0.307 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@H](C1CC1)N1CCOCC1 1082379714 JIVLBYUGECLCBV-KFWWJZLASA-N 322.409 -0.564 30 20 DBED CC#CCN1C[C@@H](NC(=O)[C@@H]2CCCN2C(N)=O)[C@H](OC)C1 1082397426 ZTQFFBGCBHUURB-FRRDWIJNSA-N 308.382 -0.632 30 20 DBED C=CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)C1CCN(C(N)=O)CC1 1083270042 JREYRLVJAOYOPW-UONOGXRCSA-N 322.409 -0.125 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CN(Cc3cnsn3)C[C@@H]2O)c[nH]1 1083414571 KJOAZDBRDNANGA-NEPJUHHUSA-N 318.362 -0.287 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)c2ccccc2OCC(N)=O)C1 1083622644 WPQBVDFWBSLPSH-OLZOCXBDSA-N 319.361 -0.488 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCc3nc(C)nn3C2)C1 1083662758 IIVMOJNERPCOPL-MCIONIFRSA-N 319.409 -0.114 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2c[nH]nc2[C@@H]2CCOC2)C1 1083674215 RNOGGFNBMCOSAR-JLLWLGSASA-N 305.338 -0.788 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)c2ccnc3nc(C)nn23)C1 1083949207 WHYJPGXTKMIJAW-YPMHNXCESA-N 314.349 -0.769 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2ccc(-n3cnnn3)cc2)C1 1084032244 CBDWVOCUMAHBGC-KGLIPLIRSA-N 312.333 -0.930 30 20 DBED CN(C[C@H]1CCN1[C@H]1CCNC1=O)C(=O)c1cc(C#N)c[nH]1 1085534775 SLKOCVVYAPKMCB-YPMHNXCESA-N 301.350 -0.079 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H]2C[C@@H](N[C@H]3CCNC3=O)C2)c1 1086055017 MXMHOKQVACQVQO-WCQGTBRESA-N 301.350 -0.127 30 20 DBED CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC(=O)N(CCOC)C2)CCN1CC#N 1087591413 DAHPXKLVYTYGCN-HZSPNIEDSA-N 322.409 -0.026 30 20 DBED Cn1cc(CC(=O)N[C@H]2CCN(CC#N)C[C@H]2O)c(Cl)n1 1090564809 BBEQBXAYRSDTBR-WDEREUQCSA-N 311.773 -0.309 30 20 DBED Cc1[nH]nc2ncc(C(=O)N[C@H]3CCN(CC#N)C[C@@H]3O)cc12 1090818400 VFFHJLVIGLNVPB-STQMWFEESA-N 314.349 -0.045 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(c2ncnc3[nH]cnc23)C[C@@H]1O 1091102567 VLTVBTHRPYGVLL-MNOVXSKESA-N 314.349 -0.178 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)c3ccc(O)nn3)c3nccn32)C1 1092345340 ZPHBGPPTUWXLLE-LBPRGKRZSA-N 324.344 -0.102 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)[C@@H]3COC(=O)N3)c3nccn32)C1 1092365282 GNWMPWDMJXCPFD-MNOVXSKESA-N 315.333 -0.803 30 20 DBED N#Cc1nc(=NCCNC(=O)c2cnn3ccncc23)cc[nH]1 1094212923 TVXLMFUGUCMCHJ-UHFFFAOYSA-N 308.305 -0.345 30 20 DBED C#CCN1CC(n2cc(CNC(=O)c3ccc(C#N)[nH]3)nn2)C1 1094285214 FCQAPCUOPPRUJP-UHFFFAOYSA-N 309.333 -0.102 30 20 DBED N#Cc1cncc(NCCCNC(=O)C(=O)NCC(F)F)n1 1094658881 WFOVHMZTATWVAT-UHFFFAOYSA-N 312.280 -0.352 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)c3cnc(C)cn3)CC2=O)C1 1094698756 KJYPQKASRSNXBZ-GFCCVEGCSA-N 315.377 -0.014 30 20 DBED C[C@H](CC(N)=O)C(=O)NCCCN(C)c1ccc(C#N)nn1 1095704822 IWLARFBSFGSEHF-SNVBAGLBSA-N 304.354 -0.198 30 20 DBED CCN(CCCNC(=O)[C@@H]1CNC(=O)N1)c1ccnc(C#N)n1 1095960032 OFMLVUQJACACIH-JTQLQIEISA-N 317.353 -0.638 30 20 DBED Cc1cc(C#N)nc(N2CC[C@@H](NC(=O)CCNC(N)=O)C2)n1 1096377990 KBURKDWZTBZBJD-SNVBAGLBSA-N 317.353 -0.590 30 20 DBED CNC(=O)C1(C(=O)N[C@H]2C[C@H](Nc3cnc(C#N)cn3)C2)CC1 1097044770 UQLAZMNZNSVHQJ-MGCOHNPYSA-N 314.349 -0.066 30 20 DBED CC(C)(C(N)=O)C(=O)N[C@H]1C[C@H](N=c2cc[nH]cc2C#N)C1 1097075576 OGIBHSZOONZSNI-XYPYZODXSA-N 301.350 -0.054 30 20 DBED C=CCOCC(=O)N[C@H]1C[C@@H](Nc2ccc3nnnn3n2)C1 1097168702 PBFHFPKCRUQZNV-AOOOYVTPSA-N 303.326 -0.219 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCC(=O)N(C)C1)N=c1cc[nH]c(C#N)n1 1097907205 FEXPNOJLHMHYTC-QWRGUYRKSA-N 316.365 -0.445 30 20 DBED C[C@@H]1OCCO[C@@H]1C(=O)N1CCC(N(CC#N)CCO)CC1 1098395851 AYJVCCOFESQFTP-JSGCOSHPSA-N 311.382 -0.401 30 20 DBED CN(C)CCC(=O)N1CC[C@@H](CN=c2cc[nH]c(C#N)n2)C1 1098571962 XEAIZRUVVKQCKT-LBPRGKRZSA-N 302.382 -0.018 30 20 DBED C=C(C)CNCc1cn([C@@H]2CCN(C(=O)CNC(N)=O)C2)nn1 1098614908 CSRYJXOQPXMASG-GFCCVEGCSA-N 321.385 -0.615 30 20 DBED C=CCNCc1cn([C@H]2CCN(C(=O)COCCOC)C2)nn1 1098632246 ANNOKSFKKOJVLD-AWEZNQCLSA-N 323.397 -0.010 30 20 DBED CC(C)C#CC(=O)N[C@H]1CCN(CCN2CCNC2=O)C[C@@H]1O 1099824724 YECAEVVXNLPBKJ-KBPBESRZSA-N 322.409 -0.778 30 20 DBED N#CCN1CC[C@H](NC(=O)CNC(=O)c2ccoc2)[C@H](O)C1 1099847257 JJJZVAXHOVIMDI-NWDGAFQWSA-N 306.322 -0.916 30 20 DBED Cc1c(CCC(=O)N[C@H]2CCN(CC#N)C[C@H]2O)cnn1C 1099853744 VIDREMWSMIWLMF-UONOGXRCSA-N 305.382 -0.264 30 20 DBED CC#CCN1CC[C@H](NC(=O)CCn2ccccc2=O)[C@H](O)C1 1099866915 PIOQWTWITUJUEC-LSDHHAIUSA-N 317.389 -0.187 30 20 DBED Cc1cc(COCC(=O)N[C@@H]2CCN(CC#N)C[C@H]2O)no1 1099891052 ZKGFFEYLLGPXIT-CHWSQXEVSA-N 308.338 -0.425 30 20 DBED CNC(=O)NCCC(=O)NCCN(C)c1ncc(C#N)cc1F 1100059485 VIDBBFOZECDCPO-UHFFFAOYSA-N 322.344 -0.036 30 20 DBED CN1C[C@@H](C(=O)NCCN(C)c2ccc(C#N)nc2)CC1=O 1100383762 MQHILMMYXGZBRR-NSHDSACASA-N 301.350 -0.016 30 20 DBED CCN(CCNC(=O)C1CN(C(C)=O)C1)c1cncc(C#N)n1 1100506744 ZGRPHJCESSBXIA-UHFFFAOYSA-N 316.365 -0.231 30 20 DBED N#Cc1cnc(N(CCNC(=O)[C@@H]2COCCO2)C2CC2)cn1 1101285394 CGKKEUVCRXLYRS-ZDUSSCGKSA-N 317.349 -0.151 30 20 DBED CNC(=O)CC(=O)NCCN(c1nc(C)cc(C#N)n1)C1CC1 1101327190 LHGWAWIHCLUWJD-UHFFFAOYSA-N 316.365 -0.122 30 20 DBED N#Cc1nccnc1N(CCNC(=O)[C@H]1C[C@H]1C(N)=O)C1CC1 1101447154 CICQXXJFDIAFFI-MNOVXSKESA-N 314.349 -0.445 30 20 DBED CC[C@@H](CNC(=O)CCNC(N)=O)Nc1nccnc1C#N 1103092039 LBYJRFACBKGILW-VIFPVBQESA-N 305.342 -0.287 30 20 DBED C[C@H](CNC(=O)CS(C)(=O)=O)CNc1cncc(C#N)n1 1103868546 NDZXQHSUYLDIEQ-VIFPVBQESA-N 311.367 -0.443 30 20 DBED C[C@H](CN=c1cc[nH]cc1C#N)CNC(=O)[C@H]1COC(=O)N1 1103944982 IAEWZORLIATIJG-BXKDBHETSA-N 303.322 -0.352 30 20 DBED C[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)C[C@H]1CCNCC#N 1104987034 JDTRSVXWGHKDTG-GHMZBOCLSA-N 307.354 -0.864 30 20 DBED CC(C)[C@H](CNC(=O)Cn1cnnn1)Nc1ccc(C#N)nn1 1105106599 ZAYNRPSKRKOISG-NSHDSACASA-N 315.341 -0.412 30 20 DBED N#CCNCc1cn(C2CN(C(=O)COCC(F)F)C2)nn1 1105290492 SNJNKKUUVBYZEF-UHFFFAOYSA-N 314.296 -0.444 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNc1ncnc2c1ncn2C 1105774018 OYRDJNLQPITNPZ-DTWKUNHWSA-N 303.326 -0.588 30 20 DBED COCCCCC(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1 1105779740 IURKYTYOMZSSLH-LLVKDONJSA-N 307.354 -0.524 30 20 DBED CCNC(=O)CC(=O)NC[C@@H](O)CNc1ncccc1C#N 1105794746 LAYYBYQGNMQZRD-LLVKDONJSA-N 305.338 -0.632 30 20 DBED C[C@H](NC(N)=O)C(=O)NC[C@H](O)CNc1ncc(C#N)cc1F 1105810133 OKWZYLRSEQUTQY-IONNQARKSA-N 324.316 -0.962 30 20 DBED O=C(C#CC1CC1)NC[C@H](O)CN=c1ccc2ncc[nH]c-2n1 1105826122 YUIGLPGZLNAXNQ-GFCCVEGCSA-N 311.345 -0.299 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)[C@H]2COCCO2)C[C@H]1C 1105843879 MYUMVBZFZCIJSL-RBSFLKMASA-N 310.394 -0.264 30 20 DBED C=CCNC(=O)CNC[C@@H]1CN(C(=O)Cc2cc[nH]n2)C[C@H]1C 1105971822 RRALTNRDHXKYBD-CHWSQXEVSA-N 319.409 -0.062 30 20 DBED N#Cc1cncc(NC[C@@H](O)CNC(=O)Cc2cncs2)n1 1105992818 ACTUWQNXPPHSLA-SNVBAGLBSA-N 318.362 -0.064 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](O)CNC(=O)C(C)(C)C(N)=O)n1 1105997178 KNJWVGPBROWPTP-JTQLQIEISA-N 320.353 -0.943 30 20 DBED C[C@@H](CCNc1ccc(C#N)nn1)NC(=O)[C@@H]1CN(C)CCO1 1106293823 LDAYLVISMOBWKX-AAEUAGOBSA-N 318.381 -0.014 30 20 DBED COCCO[C@@H](C)C(=O)NC/C=C\CN=c1cc[nH]c(C#N)n1 1107338232 RJZYZJOYIPCMQH-MVZIDQBPSA-N 319.365 -0.094 30 20 DBED C=CCOCC(=O)NC[C@]1(C)CN(CC(=O)NCC#N)CCO1 1107811963 WBJGSHWTYSYYBF-OAHLLOKOSA-N 324.381 -0.964 30 20 DBED C[C@@H](C#N)C(=O)NC[C@]1(C)CN(Cc2nnnn2C)CCO1 1107818901 IDZXRMGKJVGVOR-GXFFZTMASA-N 307.358 -0.923 30 20 DBED C[C@H](CNc1nccnc1C#N)NC(=O)C[C@H]1CC(=O)NC1=O 1107825978 NAHNOYUAVTXKLV-BDAKNGLRSA-N 316.321 -0.682 30 20 DBED CCCN1C[C@H](C(=O)NC[C@@]2(C)CN(CC#N)CCO2)CC1=O 1108250166 PJVJPEKEIKCZFU-CJNGLKHVSA-N 322.409 -0.024 30 20 DBED COCC#CCN1CC(N2C[C@H](NC(=O)C3CCC3)CC2=O)C1 1108493169 HYVSQSBFGPAFCL-CQSZACIVSA-N 319.405 -0.162 30 20 DBED N#CCN1CC(N2C[C@@H](NC(=O)COCC(F)F)CC2=O)C1 1108558588 IJLWWQAPTLYHEA-VIFPVBQESA-N 316.308 -0.807 30 20 DBED C[C@@H](CNc1nccnc1C#N)NC(=O)CCS(C)(=O)=O 1108773909 VOZGKDXUJHEEFG-VIFPVBQESA-N 311.367 -0.300 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H]1CCCO1 1110255080 OHNCVANAUITVID-MQYQWHSLSA-N 305.378 -0.364 30 20 DBED C#CCN(C(=O)CC(N)=O)C1CCN(c2cnc(F)cn2)CC1 1110621337 WDEVXFRKUFZXNC-UHFFFAOYSA-N 319.340 -0.078 30 20 DBED CC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN(C)S(C)(=O)=O 1110621583 JMLQOPOOOMJMJB-UPJWGTAASA-N 313.423 -0.377 30 20 DBED Cn1cncc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1110772612 CZHCPSFWOHVOMN-UTUOFQBUSA-N 316.365 -0.605 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)[C@H]1CN(c2ncc(F)cn2)C[C@@H]1O 1111190862 WBIVPDQEYQNXGK-DRZSPHRISA-N 322.340 -0.338 30 20 DBED Cn1nccc1C(=O)N(CCO)CCN=c1cc[nH]cc1C#N 1111432632 UZDDOMVDLNKTQN-UHFFFAOYSA-N 314.349 -0.345 30 20 DBED C[C@H](NC(N)=O)C(=O)NC1CC(CNc2cnc(C#N)cn2)C1 1112834955 JOMIWMRIZWDYEQ-IDKOKCKLSA-N 317.353 -0.288 30 20 DBED CNC(=O)C1(C(=O)N[C@@H](C)[C@H](C)N=c2cc[nH]c(C#N)n2)CC1 1113086526 FXUDWXBGFVTVMV-UWVGGRQHSA-N 316.365 -0.399 30 20 DBED COCC#CCN1CCN(C(=O)c2coc(C(N)=O)c2)CC1 1113146761 QQVRSAQNDQGQHU-UHFFFAOYSA-N 305.334 -0.214 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)[C@H]2CCC(=O)N2C)CC1 1113250064 LHEJOOZWAPFXBC-QWHCGFSZSA-N 322.409 -0.558 30 20 DBED C[C@H](CNC(=O)Cn1nccn1)N(C)c1nccnc1C#N 1113737552 XHZRQKYNAIBQEP-SNVBAGLBSA-N 300.326 -0.419 30 20 DBED C=C[C@](C)(O)CC(=O)NC1[C@H]2CN(Cc3ncnn3C)C[C@H]12 1114193862 IKRJUFKUWQPEIU-PGUXBMHVSA-N 305.382 -0.311 30 20 DBED COCC1(CC(=O)NC2[C@H]3CN(CC(=O)NCC#N)C[C@H]23)CC1 1114260650 QRGASEKFSQXEOB-RYUDHWBXSA-N 320.393 -0.511 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)[C@@H]3CCCCN3C)[C@H]2C1 1114701960 RVNSZROCLMOBNM-IHRRRGAJSA-N 318.421 -0.734 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@@H](C(C)C)N(C)C)[C@H]2C1 1114799208 SVEAEZFEIXRMSP-BFJAYTPKSA-N 322.453 -0.079 30 20 DBED C#CCCN1C[C@H]2[C@H](NC(=O)C(C)(C)NS(C)(=O)=O)[C@H]2C1 1114941834 GZLQOGFFMRNSMP-GDNZZTSVSA-N 313.423 -0.616 30 20 DBED CCn1ncc(C(=O)N(C)C[C@H](C)N=c2cc[nH]c(C#N)n2)n1 1115704266 IZNJIELQTZVBPY-JTQLQIEISA-N 314.353 -0.046 30 20 DBED C[C@@H](CN(C)C(=O)CCn1cnnn1)N=c1cc[nH]cc1C#N 1115809114 YYQHELLUYSUSLU-NSHDSACASA-N 314.353 -0.289 30 20 DBED N#Cc1cccc(NC(=O)C(=O)N2CCN3C(=O)CC[C@@H]3C2)n1 1118203184 NPBHYALYRYPQJI-LLVKDONJSA-N 313.317 -0.275 30 20 DBED C=CCOCCNC(=O)C(=O)N(C)[C@@H]1CCN(CC=C)C1=O 1118385790 KMAQMEMOWJRNOK-GFCCVEGCSA-N 309.366 -0.450 30 20 DBED C[C@H](CN(C)C(=O)Cn1ncnn1)Nc1ncccc1C#N 1120128765 PZNIYDFRPLMHCW-SNVBAGLBSA-N 300.326 -0.101 30 20 DBED Cc1ccc(C(=O)NC[C@H](CO)N=c2cc[nH]c(C#N)n2)cn1 1121050757 SJOXMEVLFKNSRY-GFCCVEGCSA-N 312.333 -0.324 30 20 DBED Cc1n[nH]c(C)c1C(=O)NC[C@@H](CO)Nc1cnc(C#N)cn1 1121919665 DKWZNYHUNJJWOX-NSHDSACASA-N 315.337 -0.109 30 20 DBED Cc1n[nH]c(C)c1C(=O)NC[C@H](CO)N=c1cc[nH]cc1C#N 1121919817 FMSKPDJZJXLHGS-GFCCVEGCSA-N 314.349 -0.082 30 20 DBED CN(C[C@H](O)CNc1nccnc1C#N)C(=O)CSCC#N 1124111037 BNZXXJPNEBWLIM-SNVBAGLBSA-N 320.378 -0.164 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]cc1C#N)C(=O)Cn1ccnc1 1124398981 HZKUPEQDJBYFTG-CYBMUJFWSA-N 314.349 -0.497 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C[C@H](O)CN=c1cc[nH]c(C#N)n1 1124520288 RHPRUHWOFWKMJL-NWDGAFQWSA-N 317.349 -0.960 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)CCc1nc[nH]n1 1125419714 QTWKCBLJUIMDGT-UHFFFAOYSA-N 321.385 -0.795 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)C[C@@H]2COC(=O)C2)C1=O 1125687691 HMFYAYVNVQYBAN-NWDGAFQWSA-N 309.366 -0.568 30 20 DBED C#CCN1CCn2ncc(CNC(=O)[C@@]3(C)CNC(=O)C3)c2C1 1128416243 HRAGJJUUFPVZPT-MRXNPFEDSA-N 315.377 -0.526 30 20 DBED COC[C@@H](OC)C(=O)NCc1cnn2c1CN(CC#N)CC2 1128476732 ZQZZJHOISUEKLG-CYBMUJFWSA-N 307.354 -0.500 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 1129900201 AKCMHRLOVDCPFJ-QJPTWQEYSA-N 305.382 -0.090 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1ccc2oc(O)nc2c1 1129944461 WMQOFYPWBNYACT-UHFFFAOYSA-N 316.317 -0.398 30 20 DBED C=CCCN[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@@H]1n1ccnn1 1129961419 MPZMQAZLCCRVDS-MNOVXSKESA-N 317.357 -0.967 30 20 DBED C=CCNC(=O)CNCCNC(=O)C1CCC(C(N)=O)CC1 1130679631 AWCCDLLAFNMWLY-UHFFFAOYSA-N 310.398 -0.714 30 20 DBED C=CCNC(=O)CNCCNC(=O)COc1c(C)occc1=O 1131137792 GJCMCWJIPSKVLD-UHFFFAOYSA-N 323.349 -0.665 30 20 DBED CC(=O)N1CCC([C@@H]2OCC[C@H]2NCC(=O)NCC#N)CC1 1131405873 FHZOKNYQUCNMOG-HIFRSBDPSA-N 308.382 -0.368 30 20 DBED Cc1ncc(C(=O)N[C@@H]2CC[C@H](C)N(CC(=O)NCC#N)C2)[nH]1 1131891585 HZGFRSATUOECIF-CMPLNLGQSA-N 318.381 -0.059 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1 1134129614 MLLAGAKOMJNJEF-KWCYVHTRSA-N 319.409 -0.080 30 20 DBED C#CCCN[C@@H](C)C[C@@H](C)NC(=O)CCCS(N)(=O)=O 1135326180 TXGVSEZLMABKPO-NWDGAFQWSA-N 303.428 -0.049 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1ccc(CNC(C)=O)o1 1135401035 WOGUOGQOVVRCQF-UHFFFAOYSA-N 322.365 -0.463 30 20 DBED CC#CCN[C@@H](C)C[C@@H](C)NC(=O)c1cc(=O)n2[nH]cnc2n1 1135923856 ODVXUSVCQNCZIN-WDEREUQCSA-N 316.365 -0.073 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)c1ccnnc1)C2 1148335495 WYPYNQNQLXFBQG-UHFFFAOYSA-N 313.361 -0.626 30 20 DBED N#CCN1CCCO[C@@H](CNC(=O)C[C@H]2CCC(=O)NC2)C1 1149841968 NFANFNLSHCMJHD-OLZOCXBDSA-N 308.382 -0.367 30 20 DBED CC(C)(C(=O)NC[C@H]1CN(CC#N)CCCO1)N1CCOCC1 1150462324 VCMXPXUEUWSZJQ-AWEZNQCLSA-N 324.425 -0.172 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)CCn1cccn1 1151948791 LYVSONXWIVBQDO-CQSZACIVSA-N 319.409 -0.151 30 20 DBED C=CCOCCNCCNC(=O)CCNC(=O)[C@H]1CCCO1 1153605887 TVYLFRPBNYYHPI-CYBMUJFWSA-N 313.398 -0.420 30 20 DBED C[C@@H](C#N)C(=O)NCCCNCC(=O)N1CCOC[C@@H]1C1CC1 1155836310 LZAQOVDTVXKBHD-GXTWGEPZSA-N 322.409 -0.121 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)Cn1cncc1C 1162646921 MDEICBBXAIJAKJ-ZDUSSCGKSA-N 305.382 -0.575 30 20 DBED C[C@H](C(=O)NCCC1(CNCC#N)CC1)N1C(=O)CCC1=O 1165324455 HRAIQRIUSYIPDR-LLVKDONJSA-N 306.366 -0.076 30 20 DBED N#CCNC(=O)CNCCCNC(=O)[C@H]1CCc2c[nH]nc2C1 1176628615 VDRYKFNPFRTYHM-NSHDSACASA-N 318.381 -0.750 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)[C@@]2(F)CCOC2)[C@H]1C 1179398243 DBSDIWPWWFKNGP-SLEUVZQESA-N 313.373 -0.004 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2cn(C)cn2)C1 1182015374 KXQUJPCJFKBQNH-VXGBXAGGSA-N 305.382 -0.085 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 1185684298 KZZTWLXBWPHFAT-UPJWGTAASA-N 322.409 -0.797 30 20 DBED C=CCOCCN[C@@H]1CCN(C(=O)[C@@H]2CCCN2C(N)=O)C1 1188405265 HJWWZAZFNGLEPU-OLZOCXBDSA-N 310.398 -0.077 30 20 DBED CN(CC(=O)NCC#N)[C@@H]1CCN(C(=O)C2=COCCO2)C1 1188717852 PGXTZYLAMUJVRA-LLVKDONJSA-N 308.338 -0.953 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2ccccc2O)C1 1191097978 XFEXTUOURHGTGN-TZMCWYRMSA-N 319.361 -0.531 30 20 DBED Cc1csc(=O)n1CCN1C[C@@H](O)[C@H](NC(=O)[C@H](C)C#N)C1 1191880616 BXOYTAGVXVFMOO-YUSALJHKSA-N 324.406 -0.461 30 20 DBED C=CCCCN1C[C@@H](O)[C@H](NC(=O)CN(C)C(=O)COC)C1 1193481370 DMNIQRRCCGZMAM-CHWSQXEVSA-N 313.398 -0.781 30 20 DBED COc1ccc(NC(=O)C(=O)N[C@@H]2CN(CC#N)C[C@H]2O)cc1 1194493876 VKQXPOHIUVUXBE-CHWSQXEVSA-N 318.333 -0.681 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)Cc2cncnc2)CC1 1195639480 JJZQWFZMSLPELP-UHFFFAOYSA-N 317.393 -0.144 30 20 DBED C=C(C)CN(CC)C(=O)[C@@H](C)N1CCCN(C(=O)C(N)=O)CC1 1196984973 ZBVVLKZHDXTBEK-CYBMUJFWSA-N 324.425 -0.181 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)c2ccc(OC)o2)C1 1197132132 YLDLVRMIFFHKSZ-VXGBXAGGSA-N 308.334 -0.287 30 20 DBED C=CCCCN1C[C@@H](O)[C@H](NC(=O)CC[C@H]2NC(=O)NC2=O)C1 1198506528 CWDPJPFICGPZMZ-IJLUTSLNSA-N 324.381 -0.898 30 20 DBED C#CCNC[C@@H]1CN(C(=O)CCN2C(=O)CCC2=O)CCCO1 1200911554 NFIWAMPAIMTNKD-CYBMUJFWSA-N 321.377 -0.634 30 20 DBED C#CCCNCC1CCN(C(=O)Cn2ccc(O)nc2=O)CC1 1205636729 QTFUGFSWLQCMCV-UHFFFAOYSA-N 318.377 -0.200 30 20 DBED CC(C)(NS(C)(=O)=O)C(=O)N1CCC(CNCC#N)CC1 1206521462 DADQZBAYLZCQCJ-UHFFFAOYSA-N 316.427 -0.334 30 20 DBED C=CCOCCN1C[C@@H](NC(=O)[C@H]2CN(C)CCO2)[C@H](C)C1 1206739928 WVOBJOHFFMKQIJ-RBSFLKMASA-N 311.426 -0.044 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)c2n[nH]c(C)c2C)C1 1207714295 KJCDGSOTJCAIGM-ZDUSSCGKSA-N 317.393 -0.030 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)c2ccn(C)c2)C1 1207796968 YQFIADAMISDTSN-CQSZACIVSA-N 302.378 -0.031 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)Cc2nonc2C)C1 1210411148 DVFJSHZPEYZTCK-LBPRGKRZSA-N 319.365 -0.749 30 20 DBED CO[C@@H]1CN(CC(=O)N(C)C2CC2)C[C@H]1NC(=O)[C@H](C)C#N 1212039956 YVROPTMPVDTDTG-RAIGVLPGSA-N 308.382 -0.418 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)C2=COCCO2)C[C@H]1C 1214080176 JFXNNKCFHIBJMY-VXGBXAGGSA-N 309.366 -0.387 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2)C[C@H]1C 1214320004 ITOOWMROHJNMPK-IJLUTSLNSA-N 308.382 -0.996 30 20 DBED C#CCCN[C@@H]1CN(C(=O)CN(C)CC(=O)NC(C)C)C[C@H]1C 1215060689 URQLINRYQOVTNF-HUUCEWRRSA-N 322.453 -0.097 30 20 DBED C=CCOCCN[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)C[C@H]1C 1216709053 QYZJXBPVEGULOI-VXGBXAGGSA-N 324.381 -0.823 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2nonc2C)C[C@H]1C 1217032157 OIANAODLNMMAFY-ADEWGFFLSA-N 319.365 -0.434 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)c2ccc[nH]2)C1 1219175460 ISPHBGNKMTVZOR-UHTWSYAYSA-N 306.366 -0.520 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)Cc2cnn(C)c2)C1 1219325772 DEJMYXDATOMRBQ-KGLIPLIRSA-N 308.382 -0.674 30 20 DBED CCn1ccnc1CN1C[C@H](O)[C@H](NC(=O)C#CC2CC2)C1 1219589822 KDYDEQGXXSLCMV-KGLIPLIRSA-N 302.378 -0.022 30 20 DBED CCCn1nccc1C(=O)N[C@@H]1CN(CC#CCOC)C[C@@H]1O 1219708109 OEPBXPUZRZQIPF-HIFRSBDPSA-N 320.393 -0.282 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@H]2CCN(CCOCCO)C[C@H]21 1221544456 WJSXKOPQYACVIE-RBSFLKMASA-N 310.394 -0.434 30 20 DBED N#CCNC(=O)CN1CCC(NC(=O)[C@H]2CCCOC2)CC1 1226527982 QYQWRFRTCNFKRG-LBPRGKRZSA-N 308.382 -0.367 30 20 DBED CC#CCN1CCC(NC(=O)[C@H](CCC(N)=O)NC(C)=O)CC1 1229626432 WZKDZHSUIUFUMZ-AWEZNQCLSA-N 322.409 -0.640 30 20 DBED CC#CCN[C@@H]1CCCC[C@H]1NC(=O)CN1C(=O)CNC1=O 1230077629 MNGAUZQYQNTCLT-VXGBXAGGSA-N 306.366 -0.422 30 20 DBED C=CCNC(=O)[C@H](C)N(C)CCCNC(=O)CNC(=O)OC 1234513060 SAXXYMPOSAEPSB-NSHDSACASA-N 314.386 -0.529 30 20 DBED O=C1C=CC=N/C1=C(\O)NCCN1C(=O)[C@@H]2CSCN2C1=O 1262199622 USJDBROVNNJDER-IZXMIOPHSA-N 322.346 -0.150 30 20 DBED CCS(=O)(=O)CCN(C)C(=O)C(=O)N1CCC[C@H](C#N)C1 1262515036 SFZBHDNVUYHLJJ-LLVKDONJSA-N 315.395 -0.358 30 20 DBED C#CC1CCN(c2nnc(Cn3cc(CCO)nn3)n2C)CC1 1262839778 JZBPHHYKDJEIQN-UHFFFAOYSA-N 315.381 -0.161 30 20 DBED CN(CC#N)C(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 1318078816 VPLAQHDJKQFRHI-SECBINFHSA-N 312.351 -0.866 30 20 DBED Cc1cc(NC(=O)C(=O)N[C@@H](CO)C2CC2)n(CCC#N)n1 1319558034 LGMYBDJCPUNWMH-NSHDSACASA-N 305.338 -0.069 30 20 DBED C=C(Br)CNC(=O)C(=O)NCCn1cncn1 1322560029 SWZFFSMLZUNCOP-UHFFFAOYSA-N 302.132 -0.581 30 20 DBED COC[C@@](C)(C#N)NC(=O)COCC(=O)NCc1cccnc1 1322757830 PILLYPPFCAVASJ-OAHLLOKOSA-N 320.349 -0.241 30 20 DBED C=CCn1cc(CNC(=O)[C@H](NC(=O)C2CC2)[C@H](C)O)nn1 1326170380 PRAKYXJUGGJOGH-JOYOIKCWSA-N 307.354 -0.644 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N(C)C[C@@H](O)C2CC2)nn1 1326718703 PNBBMULCNPZTAT-GFCCVEGCSA-N 307.354 -0.690 30 20 DBED CN(Cc1nccn1C)C(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1329446973 HUCOQKLFDQIAOA-AWEZNQCLSA-N 305.338 -0.744 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCCC[C@@H]1CNC(C)=O 1331265114 MZLXFUGOAZESGD-CYBMUJFWSA-N 309.366 -0.730 30 20 DBED C#CCNC(=O)[C@H](C)SCc1nnc2c(=O)n(C)ccn12 1334804990 BRVGFBALYLAPCB-VIFPVBQESA-N 305.363 -0.201 30 20 DBED C=CCCOCCn1nnnc1N(C)[C@H]1CCS(=O)(=O)C1 1335863206 AMBVVAPHXJQRHI-NSHDSACASA-N 315.399 -0.111 30 20 DBED C=CCCC[C@@H](C)NC(=O)C(=O)NCCNS(=O)(=O)CC 1342212262 KIEQPHNNVMIBNO-LLVKDONJSA-N 319.427 -0.097 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)NCCC2CCOCC2)C1 1345839848 JTCFAAZQLYSKKI-HNNXBMFYSA-N 309.366 -0.204 30 20 DBED COC[C@@H]1CN(C(=O)CCn2cc(C#N)c(O)nc2=O)CCO1 1362168255 XRPVICMWLXREEX-NSHDSACASA-N 322.321 -0.916 30 20 DBED COCCN(CCC#N)C(=O)Cn1ncn2nccc2c1=O 1362218093 AQDLENGQJVJBIW-UHFFFAOYSA-N 304.310 -0.720 30 20 DBED CN(Cc1cccn1C)C(=O)Cn1cc(C#N)c(O)nc1=O 1362243733 ZPVVQAOWDDMPSA-UHFFFAOYSA-N 301.306 -0.182 30 20 DBED N#Cc1ncn(CC(=O)NC2CCN(c3cccnn3)CC2)n1 1362658713 PILHIJDBCYZTDP-UHFFFAOYSA-N 312.337 -0.275 30 20 DBED N#Cc1ccc(NCC(=O)N2CC[C@H](CS(N)(=O)=O)C2)nc1 1364370640 FGNBGFQGOBCAMQ-NSHDSACASA-N 323.378 -0.498 30 20 DBED Cn1cc(S(=O)(=O)NCC(=O)N2CCC[C@@H](C#N)C2)cn1 1364739892 HPXNXEKULLHNSR-JTQLQIEISA-N 311.367 -0.539 30 20 DBED C=C(Cl)CN1CC(NC(=O)C(C)(C)NS(C)(=O)=O)C1 1366937998 APZCXOXNLVTZPC-UHFFFAOYSA-N 309.819 -0.133 30 20 DBED COC[C@H](OC)C(=O)N1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 1372528557 STGWMWIFVFMMDU-AAEUAGOBSA-N 320.349 -0.122 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1cn2c(n1)CCCC2 1392106548 AYLTXCNXKXPLBR-WDEREUQCSA-N 319.365 -0.414 30 20 DBED COCC(=O)NCCC(=O)N(C)C[C@@H](C)NC(=O)[C@H](C)C#N 1395591847 CBKMCCHYQJRJNT-GHMZBOCLSA-N 312.370 -0.738 30 20 DBED CC(=O)N[C@@H](C)C(=O)N[C@H]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 1407795849 NOEURHOOVHEKKS-UWJYBYFXSA-N 317.349 -0.212 30 20 DBED CN(CCNC(=O)[C@H]1CCC(=O)NC1)C(=O)c1c[nH]c(C#N)c1 1408619955 ZUBKSUJVCLJJOA-JTQLQIEISA-N 317.349 -0.399 30 20 DBED C[C@H](C#N)C(=O)N(CCNC(=O)[C@H]1CN(C)CCO1)C1CC1 1408905968 CEPXWQYYOFKAHD-DGCLKSJQSA-N 308.382 -0.416 30 20 DBED CN(C[C@H](O)CNCc1ccccc1C#N)C(=O)c1cnn[nH]1 1411057110 JSZRAEKPVZPOOV-CYBMUJFWSA-N 314.349 -0.101 30 20 DBED CO[C@]1(C(=O)N2CC[C@@](O)(CC#N)C2)CCS(=O)(=O)C1 1413184727 RMENGZJBYBKBLP-NWDGAFQWSA-N 302.352 -0.933 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NCC(=O)Nc2cnccn2)CC1 1420918949 ITQWYLHWWFPLJQ-JTQLQIEISA-N 302.338 -0.187 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(CCNC(=O)Cc2ncc[nH]2)CC1 1429793138 ANRGLAREXLABIS-LBPRGKRZSA-N 318.381 -0.628 30 20 DBED C[C@H](C#N)CNC(=O)N1CCC(n2cc(C(N)=O)nn2)CC1 1434793140 WEAYLSHUUYONEB-SECBINFHSA-N 305.342 -0.117 30 20 DBED C[C@H](C#N)C(=O)NC1CCN(C(=O)[C@H]2CCCC(=O)N2)CC1 1446742612 OXAXRLMKWYNWJG-ZYHUDNBSSA-N 306.366 -0.078 30 20 DBED CCS(=O)(=O)CC(=O)NC[C@H](NC(=O)[C@@H](C)C#N)C1CC1 1447186880 VDABJCWRKBLFRS-ONGXEEELSA-N 315.395 -0.408 30 20 DBED CN1CC[C@@H]1CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1456043444 YRHDRDYVUWFVEU-GFCCVEGCSA-N 322.390 -0.343 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCN(C)C(=O)[C@H](C)CS(C)(=O)=O 1457792670 BOQKUVOXNHRSHA-WDEREUQCSA-N 317.411 -0.256 30 20 DBED C#CCNC(=O)CN1CCC[C@@H](NC(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1494281785 CQRMDBWMVJHDLM-CXTNEJHOSA-N 305.378 -0.791 30 20 DBED N#Cc1c[nH]c(C(=O)NCC2(NC(=O)[C@H]3COCCO3)CC2)c1 1506001023 PVXMDROAMMZGLQ-GFCCVEGCSA-N 318.333 -0.320 30 20 DBED N#Cc1c[nH]c(C(=O)NC2(CNC(=O)[C@@H]3CCC(=O)N3)CC2)c1 1506159254 DBXBDUWOQXQKJL-JTQLQIEISA-N 315.333 -0.456 30 20 DBED CC[C@H](C(=O)N1C[C@@H](NCC(=O)NCC#N)C(C)(C)C1)N(C)C 1507440264 POMAGWHYZFDDBA-CHWSQXEVSA-N 323.441 -0.207 30 20 DBED C[C@H](CNC(=O)[C@H](C)C#N)CNC(=O)C(C)(C)S(C)(=O)=O 1532329509 QFLZNBYQKAODLK-NXEZZACHSA-N 317.411 -0.162 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 1566766767 ODXAPPYTPIOZQY-KGLIPLIRSA-N 320.437 -0.201 30 20 DBED C#CCO[C@H](C)C(=O)NCCNc1ccc(-c2nn[nH]n2)nc1 1573288032 RPQZOBZJSMBPMY-SNVBAGLBSA-N 315.337 -0.172 30 20 DBED C[C@@H](NC(=O)Cn1cnc(C#N)n1)C1(C(=O)O)CCOCC1 1573561860 JFBQYFVREIJLBJ-SECBINFHSA-N 307.310 -0.464 30 20 DBED C#CCNC(=O)C1CCN(c2nnccc2-c2nn[nH]n2)CC1 1588354374 LMQUWORJNJTYOB-UHFFFAOYSA-N 312.337 -0.378 30 20 DBED C#CCNC(=O)CN1CCCN(c2ccnc(C(=O)O)n2)CC1 1588484141 SRHYPXKXOZVPIK-UHFFFAOYSA-N 317.349 -0.564 30 20 DBED C=CC(C)(C)NC(=O)CCn1cc(-c2nn[nH]n2)c(O)nc1=O 1588488757 OSZFOFJDFYVTAP-UHFFFAOYSA-N 319.325 -0.400 30 20 DBED C=C(CCC(=O)OC)C(=O)N[C@H](CC1OCCO1)C(=O)O 1588632834 BLYNNBXRLHJMNG-SECBINFHSA-N 301.295 -0.172 30 20 DBED C=CC[C@H](OC(=O)CN1CCC[C@H](C(=O)OC)C1=O)C(=O)O 1588753782 NHNVURROHOMHIV-UWVGGRQHSA-N 313.306 -0.030 30 20 DBED C=CCS(=O)(=O)CCNS(=O)(=O)CC(C)(C)C(=O)O 1588878924 OEWKRETYTBUBLF-UHFFFAOYSA-N 313.397 -0.383 30 20 DBED C[C@@H](CC(=O)O)N1CCN(C(=O)[C@@H](C)n2cnc(C#N)n2)CC1 1592405918 IUANPVBPKPUNJO-WDEREUQCSA-N 320.353 -0.282 30 20 DBED CN(C(=O)c1c[nH]c(C#N)c1)C1CN(C(=O)[C@H]2C[C@H]2C(=O)O)C1 1598071921 DNSXWUSVXFAQAI-NWDGAFQWSA-N 316.317 -0.110 30 20 DBED Cn1cc(C(=O)O)cc1S(=O)(=O)N1CC[C@](O)(CC#N)C1 1600938574 GLTFXBDIUYUGCX-GFCCVEGCSA-N 313.335 -0.238 30 20 DBED C#CCN(CC(=O)O)c1nnnn1[C@@H]1CCN(C(=O)CC)C1 1602700695 FIWKBGWQUJXCLX-SNVBAGLBSA-N 306.326 -0.619 30 20 DBED CC#CCNC(=O)C(=O)Nc1ccc(C(=O)NCC(=O)O)cc1 1602949213 DFARDWOSUPZZDT-UHFFFAOYSA-N 317.301 -0.421 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CN(c2ccnc(C(=O)O)n2)CCO1 1603129171 BELPUKUQVYGLCF-NXEZZACHSA-N 319.321 -0.344 30 20 DBED CC[C@@H](CNC(=O)CCn1cc(C#N)c(O)nc1=O)C(=O)O 1603552590 IGQJAWZOJGYQJW-QMMMGPOBSA-N 308.294 -0.562 30 20 DBED COC[C@@]1(C(=O)O)CN(C(=O)c2ccc(C#N)cn2)CCO1 1604556334 DHALBKHBWXDMHC-CQSZACIVSA-N 305.290 -0.105 30 20 DBED N#CCN1CCC(NC(=O)C(=O)N2CC[C@H](C(=O)O)C2)CC1 1605585552 FMQAPHFGNCUEET-JTQLQIEISA-N 308.338 -0.976 30 20 DBED COC(=O)CN(CC(=O)O)S(=O)(=O)c1ccc(C#N)cc1 1610184126 PIFZMXMDQQNFCY-UHFFFAOYSA-N 312.303 -0.193 30 20 DBED CN(CCC#N)C[C@H](O)CN[C@H]1CCN(c2cnn(C)c2)C1 1645853551 OUSYUHGSYSQPIY-DZGCQCFKSA-N 306.414 -0.205 30 20 DBED CC(=O)N1CCN(C(=O)[C@H](C)N2CC[C@@](O)(CC#N)C2)CC1 1649847447 UCNWNWDCTYSFIA-WFASDCNBSA-N 308.382 -0.584 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC(O)(CNC(=O)[C@H]2CC2(C)C)C1 1716935785 ZMOFBUSDLDLOGP-VXGBXAGGSA-N 307.394 -0.667 30 20 DBED Cc1c(CC(=O)NCCN2CCN(CC#N)CC2)cnn1C 1752366354 YEKFTBHVIBWZRJ-UHFFFAOYSA-N 304.398 -0.472 30 20 DBED C=CCNC(=O)CNC[C@H]1CCN(C(=O)c2cncnc2)C1 1752934399 LHIIIFRYLTZVNS-GFCCVEGCSA-N 303.366 -0.170 30 20 DBED C#CCN1CCC[C@@H]1CNC(=O)[C@@H](NC(=O)COC)C(C)C 1753113724 RDXJXGQNZMWLDY-HIFRSBDPSA-N 309.410 -0.013 30 20 DBED Cc1cnn(CC(=O)N(C)[C@H]2CCN(CC(=O)NCC#N)C2)c1 1753429109 AOKAHFAJDDNIET-ZDUSSCGKSA-N 318.381 -0.636 30 20 DBED CCc1oncc1C(=O)NC[C@@H](CC)NCC(=O)NCC#N 1753489425 TYORODMUDUCRRL-SNVBAGLBSA-N 307.354 -0.025 30 20 DBED CC#CCNC[C@@H](O)CNC(=O)c1cccn2c(O)nnc12 1753933178 FOTOIDQJAVMSPP-SNVBAGLBSA-N 303.322 -0.862 30 20 DBED CCc1ncncc1C(=O)NC[C@H](O)CNCC#CCOC 1753936899 GQZIRVLFRIBKDS-GFCCVEGCSA-N 306.366 -0.631 30 20 DBED C#CCNC(=O)[C@H](C)N1CC(N(C)C(=O)Cn2cc(C)cn2)C1 1754570838 HOFYEANYKPAESQ-ZDUSSCGKSA-N 317.393 -0.528 30 20 DBED CC#CCNC1(CNC(=O)[C@@H]2COCCN2CC)CCOCC1 1754737400 LMFGKCLRBHHJKD-HNNXBMFYSA-N 323.437 -0.015 30 20 DBED N#CCN1CC(O)(CNC(=O)Cn2ccc(C(F)(F)F)n2)C1 1754777188 UEUUREUGTCTYGC-UHFFFAOYSA-N 317.271 -0.412 30 20 DBED CC#CCN[C@H](C)[C@@H]1CCN(C(=O)CN2C(=O)CCC2=O)C1 1754808278 ZWKINJOTIMRYEC-CHWSQXEVSA-N 305.378 -0.015 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)c2ncccn2)C[C@@H]1C 1755118896 UDMWUOAHAGDNPT-NWDGAFQWSA-N 301.350 -0.724 30 20 DBED COCC(=O)N(C)CC(=O)N1C[C@@H]2CCC[C@H](NCC#N)[C@H]2C1 1755708283 WRAYFUQXIPPYFT-IHRRRGAJSA-N 322.409 -0.169 30 20 DBED CN(CC(=O)N(C)C)C[C@@H](O)CN(C)C(=O)C#CC(C)(C)C 1755801057 SWWURRKGMDDOIZ-CYBMUJFWSA-N 311.426 -0.125 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1CC(NC(=O)Cc2nc[nH]n2)C1 1755944955 RUCJWGVJCQDBNH-QKFMDRJYSA-N 321.381 -0.315 30 20 DBED C#CCOCCC(=O)N1CC([C@H](C)NC(=O)C2=COCCO2)C1 1756128447 ZRGLILLUBZTDGF-LBPRGKRZSA-N 322.361 -0.122 30 20 DBED C=CCOCC(=O)NC[C@H]1C[C@H](NC(=O)c2ncn(C)n2)C1 1756249296 KLRJDBJEAPHMAC-XYPYZODXSA-N 307.354 -0.358 30 20 DBED C[C@@H]1C[C@H](NC(=O)C#CC2CC2)CN1C(=O)c1cnnn1C 1756588567 SSGVBDVZTILDCH-PWSUYJOCSA-N 301.350 -0.052 30 20 DBED C=CCOCC(=O)N1CC[C@H](NC(=O)c2ccccn2)[C@@H](O)C1 1757560383 UYHFSVBMFWDHAL-JSGCOSHPSA-N 319.361 -0.024 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](NC(=O)/C(C)=C\C)[C@H](O)C1 1757562369 GUNHEYPWHWNWAR-DBUDNELGSA-N 321.377 -0.830 30 20 DBED O=C(O)c1cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](O4)[C@@H]3C2=O)c[nH]1 1776102303 LZUZGWGDEWLBMC-ZNSHCXBVSA-N 301.258 -0.015 30 20 DBED N#CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cccnn3)C2)C1 1779460362 WXGHSXNJVILOHJ-HNNXBMFYSA-N 315.333 -0.166 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccn(C)n1)CCO2 1783049793 TXORHQMICHKIIN-OAHLLOKOSA-N 302.334 -0.503 30 20 DBED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccn(C)n3)C[C@@H]21 1790790924 PRLUMXIOIBTUFP-OBJOEFQTSA-N 316.361 -0.353 30 20 DBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](CC)NC)CCO2 1835917998 OBWZEJGQNOMEJM-BBRMVZONSA-N 323.393 -0.926 30 20 DBED CN1CCN(CC(=O)N2CC3(CCCN3C(=O)CC#N)C2)CC1 1842622681 MXRAHAJZVTWQGF-UHFFFAOYSA-N 319.409 -0.649 30 20 DBED C=C(C)CN(CC)CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1 16338895 KYFYGWHAPJWKFP-LLVKDONJSA-N 317.411 -0.103 30 20 DBED CCN(CC(=O)c1c(N)n(CC)c(=O)[nH]c1=O)C[C@H](C)C#N 98134291 IFIYSIXANRDPJK-SECBINFHSA-N 307.354 -0.197 30 20 DBED CCN(CCC#N)C(=O)CN1CC[C@H](S(=O)(=O)NC)C1 156013611 HAOYUQCLCCTOID-NSHDSACASA-N 302.400 -0.628 30 20 DBED C#CCCCNC(=O)N1CCN(CCS(N)(=O)=O)CC1 195513011 GDPIQVXDICNYRF-UHFFFAOYSA-N 302.400 -0.985 30 20 DBED COC[C@@H](CCO)NC(=O)CNC(=O)c1ccc(C#N)cc1 270408890 NDIUXNSVGGHZSV-CYBMUJFWSA-N 305.334 -0.198 30 20 DBED C=CCS(=O)(=O)CCNC(=O)CSc1nc(C)n[nH]1 273142031 WXWJKOXNPKTYCM-UHFFFAOYSA-N 304.397 -0.078 30 20 DBED C#CCn1ccc(CN(CC)S(=O)(=O)N2CCOCC2)n1 278616107 DATNIWJONLTTOV-UHFFFAOYSA-N 312.395 -0.085 30 20 DBED C[C@H](CN1CCCC1=O)/N=C(/O)N1C[C@@H]2OCCN(C)[C@H]2C1 329957785 QHGVUOLXVAVGLS-AGIUHOORSA-N 310.398 -0.074 30 20 DBED CN1CCO[C@@H]2CN(C(=O)CNc3ccc(C#N)cn3)C[C@@H]21 330322260 SLNIBWMQZUFJJR-QWHCGFSZSA-N 301.350 -0.093 30 20 DBED COCCN1CCN(CC(=O)N/C(O)=N/C(C)(C)C)CC1=O 330571082 CWEUSJURNVXVOG-UHFFFAOYSA-N 314.386 -0.394 30 20 DBED C=CCNC(=O)NC(=O)CN1CCSC[C@H](C(=O)OC)C1 331879157 CACSRAFUXZJINZ-SNVBAGLBSA-N 315.395 -0.164 30 20 DBED N#Cc1cccc(-n2ccc(C(=O)NCCOCC(N)=O)n2)c1 336975210 VFCRSEKTGDWAQL-UHFFFAOYSA-N 313.317 -0.024 30 20 DBED COCC[C@@H](CO)NS(=O)(=O)N(CCC#N)CCOC 337253117 RVKWDNIMUXUTDA-NSHDSACASA-N 309.388 -0.920 30 20 DBED COC(=O)[C@@H]1CN(S(=O)(=O)N(C)C[C@@H](C)C#N)C[C@@H](C)O1 337984158 DTTRILPHVMHKPE-AXFHLTTASA-N 319.383 -0.415 30 20 DBED N#CCNC(=O)CNC(=O)CCNS(=O)(=O)c1ccccc1 343507789 NVUATXVBTOBYLD-UHFFFAOYSA-N 324.362 -0.889 30 20 DBED C=CC[C@@H](C)NC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 346195799 QYDAVKYSVIVUQM-MRVPVSSYSA-N 314.367 -0.527 30 20 DBED CC[C@@H]1CCN(S(=O)(=O)CCCS(=O)(=O)NCC#N)C1 349487752 CQCSQCLEQCAWFS-LLVKDONJSA-N 323.440 -0.119 30 20 DBED N#CCNS(=O)(=O)CCCS(=O)(=O)N[C@H]1C=CCCC1 349587765 DOXMYPDJWKKHPY-NSHDSACASA-N 321.424 -0.152 30 20 DBED N#C[C@H]1CN(S(=O)(=O)N[C@H](CO)C2CCCC2)CCO1 352592174 BPJNQVPPACSCEJ-NWDGAFQWSA-N 303.384 -0.404 30 20 DBED C=CCN1CCC(NC(=O)NCCS(=O)(=O)N(C)C)CC1 357972245 JNLRHVBPQUADJY-UHFFFAOYSA-N 318.443 -0.173 30 20 DBED C=CCOC[C@@H](NC(=O)c1cccn2c(O)nnc12)C(=O)OC 360743958 HHSTUWZFXDDCCG-SNVBAGLBSA-N 320.305 -0.091 30 20 DBED C[C@@H]1[C@@H](C)S(=O)(=O)CCN1S(=O)(=O)N(C)CCC#N 408192154 KOTPQAGOKLWVQZ-NXEZZACHSA-N 309.413 -0.416 30 20 DBED CC[C@H](CC#N)NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1 408222331 BUHVNIITTRQNIU-SNVBAGLBSA-N 324.428 -0.910 30 20 DBED C=CCn1cc(CNC(=O)CCNC(=O)[C@@H]2CCCN2)nn1 424214086 WMBFEWXLFGMOFG-LBPRGKRZSA-N 306.370 -0.661 30 20 DBED C[C@@H]1CN(S(=O)(=O)c2cccnc2C#N)C[C@@H](C(N)=O)O1 428375544 QOIINAKVLPCVAJ-SCZZXKLOSA-N 310.335 -0.783 30 20 DBED CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC(C(N)=O)C(N)=O 430057971 HRUXJYCNEZFPHZ-GFCCVEGCSA-N 318.333 -0.583 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)Cc2ccnn2C)CC1 443920553 XJEYFUSCIJYSAL-UHFFFAOYSA-N 305.382 -0.591 30 20 DBED CC[C@](COC)(NC(=O)CNc1ccc(C#N)cn1)C(=O)OC 457278343 HXSVPGMDYNHMHO-OAHLLOKOSA-N 320.349 0.450 30 20 DBED CNC(=O)NC(=O)CCN1CCN(c2cnccc2C#N)CC1 559259141 CKRYEGANEFAPEY-UHFFFAOYSA-N 316.365 -0.079 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N[C@@H](CCC(=O)O)C(=O)O 576759411 YFAYSWNTFQWCNX-YUMQZZPRSA-N 307.328 -0.770 30 20 DBED C=CCN1CCC(NC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CC1 582797815 ZOSHYZWMLLSLSS-KGLIPLIRSA-N 321.425 -0.410 30 20 DBED N#Cc1ncn(CCNc2nccc(N3CCOCC3)n2)n1 588075588 DAMJAMDZBNYAOZ-UHFFFAOYSA-N 300.326 -0.112 30 20 DBED CC[C@@H]1CN(C(=O)C(=O)N2CCN(CCC#N)CC2)CCO1 601424162 ZVGHRWFYZXXWAM-CYBMUJFWSA-N 308.382 -0.318 30 20 DBED CN(C(=O)[C@@H]1CSCN1C(=O)Cn1cnc(C#N)n1)C1CC1 610883035 QKDGQIHRPFDQJG-JTQLQIEISA-N 320.378 -0.328 30 20 DBED C=C[C@@H](O)C(=O)NCC(=O)N1CCN(c2ccccc2)CC1 646776927 YPEYNWLGINGDLF-CQSZACIVSA-N 303.362 -0.002 30 20 DBED C=CCCOCCNC(=O)C(=O)NCc1nnn(C(C)(C)C)n1 656327264 HWPKCXQWYMRVSK-UHFFFAOYSA-N 324.385 -0.247 30 20 DBED C=C[C@](C)(O)C(=O)N(CC)CC(=O)N[C@@H]1CCS(=O)(=O)C1 665919418 KYOKFBSFEMADNQ-MFKMUULPSA-N 318.395 -0.925 30 20 DBED CNC(=O)CNC(=S)NN=C(C)c1cc(C(N)=O)n(C)c1 731926735 DAGLRHCWHVTDEQ-UHFFFAOYSA-N 310.383 -0.942 30 20 DBED COCCN(CC(=O)O)C(=O)CNC(=O)c1ccc(C#N)cc1 739823741 JOQIWOXIBIPRMW-UHFFFAOYSA-N 319.317 -0.152 30 20 DBED C#C[C@H](NC(=O)CS(=O)(=O)N(CC)CC)[C@H]1CCCO1 775330042 OQCLWVSTVMVRNX-NWDGAFQWSA-N 302.396 -0.045 30 20 DBED C#C[C@H](NCCNS(=O)(=O)CCCOC)[C@@H]1CCCO1 775801219 WUGCWPFIAHZOJS-STQMWFEESA-N 304.412 -0.287 30 20 DBED C#CCOCCNC(=O)NC1CCN(C(=O)CCOC)CC1 784386258 QXEVBHDKEFRFGG-UHFFFAOYSA-N 311.382 -0.037 30 20 DBED COC[C@H](C)NC(=O)NC(=O)COC(=O)c1c[nH]c(C#N)c1 786906717 PYZWWXOCEBTAAW-QMMMGPOBSA-N 308.294 -0.096 30 20 DBED C[C@@H]1CN(C)C(=O)CN1C(=O)C(=O)NCc1cccc(C#N)c1 787344691 LWMWOGHRCHNBRW-LLVKDONJSA-N 314.345 -0.136 30 20 DBED C#CCn1c(=C(C#N)C#N)sc(=Cc2cccc(OC)n2)c1=O 790428038 OXLSZQABYPPAJD-UHFFFAOYSA-N 322.349 -0.027 30 20 DBED C#CCN1CCN(C(=O)[C@](C)(O)Cn2ccc(C)cc2=O)CC1 790581881 VACGFUUHNAURHW-QGZVFWFLSA-N 317.389 -0.315 30 20 DBED Cn1cc(C=NNC(=S)NCCN2CCOCC2)c(O)n1 814214176 VVNXMVZHIAXZMO-UHFFFAOYSA-N 312.399 -0.744 30 20 DBED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](CO)CC#C)c1 816674625 GPMVGVCCXAOCPS-CYBMUJFWSA-N 320.370 -0.288 30 20 DBED C[C@@](C#N)(CC(=O)O)C(=O)N1CCC[C@H](CS(N)(=O)=O)C1 819811437 ORPFDQHGJQQWPR-CABZTGNLSA-N 317.367 -0.482 30 20 DBED O=C1CC[C@@](C(=O)N[C@@H]2CCN(O)C2=O)(c2ccccc2)CN1 820137853 SUHVSQCCKYCOLQ-WBMJQRKESA-N 317.345 -0.059 30 20 DBED CN1C(=O)N[C@@]2(CCN(C(=O)[C@@](C)(C#N)CC(=O)O)C2)C1=O 820615925 ZXNXWEKNSOMKSQ-CHWSQXEVSA-N 308.294 -0.856 30 20 DBED N#Cc1ccc(C(=O)N2CCCC[C@H]2CNS(N)(=O)=O)o1 854841595 ZXMRVNYWSFGAJZ-VIFPVBQESA-N 312.351 -0.061 30 20 DBED COCCNC(=O)[C@@H](C#N)C(=O)Cn1cc(C(=O)OC)cn1 860468067 IIENYKNTNNQCTR-JTQLQIEISA-N 308.294 -0.859 30 20 DBED C#CC1(O)CN(C(=O)CCCS(=O)(=O)N2CCCC2)C1 890521400 CVNPSGLTXJYHKS-UHFFFAOYSA-N 300.380 -0.601 30 20 DBED CN(C)CC#CCNC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 913515794 NIMHIDQDCNOAGY-UHFFFAOYSA-N 322.390 -0.835 30 20 DBED C=C(C)CS(=O)(=O)NCCCn1c(=O)ccn(C)c1=O 918323138 QASXANAXGRVWCQ-UHFFFAOYSA-N 301.368 -0.567 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2nnc(O)nc2O)[C@@H](C)C1 942285537 DJAYCRGRLUVGTH-VHSXEESVSA-N 305.338 -0.254 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CCN(C(=O)Cn3cnnn3)C2)C1 942359631 GPTLZWZPWVALCL-LLVKDONJSA-N 304.354 -0.254 30 20 DBED C#CCN1CC[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)[C@@H](C)C1 944134520 DUNFEZXZJIDGSK-NWDGAFQWSA-N 306.366 -0.660 30 20 DBED Cc1cc(C(=O)NC[C@H]2CN(C(=O)[C@H](C)C#N)CCO2)n(C)n1 944501393 UZOJWRZJAVGJDI-PWSUYJOCSA-N 319.365 -0.155 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(NC(=O)C[C@H]2CCNC2=O)CC1 948095935 CSPLHJGZBOZSHV-WDEREUQCSA-N 306.366 -0.221 30 20 DBED CC[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)CC[C@@H]1NC(=O)C(N)=O 948384679 KUERTJUPGLJBLC-KOLCDFICSA-N 317.349 -0.271 30 20 DBED CC#CCN1CCN(C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)CC1 949353889 FPMZJPWZDWSKQH-KGLIPLIRSA-N 307.394 -0.033 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CNC(=O)[C@H]2CCNC2=O)CC1 949394546 VNSMXHCOPSAWFW-JQWIXIFHSA-N 306.366 -0.363 30 20 DBED C=CCN1CC[C@H](N2CCN(C(=O)c3[nH]nnc3C)CC2)C1=O 949602587 DKTUOFRUOFIUMY-LBPRGKRZSA-N 318.381 -0.342 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@H]1CNC(=O)c1nnc(O)nc1O 951300356 OZDZQCZQFVFPSI-QMMMGPOBSA-N 321.337 -0.174 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H](NC(=O)c2cc(=O)n(C)o2)C1 951867393 FZFAITUWNQDFCH-ZJUUUORDSA-N 306.322 -0.141 30 20 DBED N#CCN1C[C@@H](O)[C@@H](CNC(=O)c2ccc3nncn3c2)C1 958482002 TZSVSIYIAVDQPE-NWDGAFQWSA-N 300.322 -0.725 30 20 DBED N#CCN1C[C@H](O)[C@H](CNC(=O)c2cn(CC3CC3)nn2)C1 958524777 BWWXAUDLNRCTTM-YPMHNXCESA-N 304.354 -0.766 30 20 DBED Cc1c[nH]c(C(=O)N(C)[C@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)n1 958856916 XHKDZIBGEBVZGC-MIMYLULJSA-N 305.338 -0.479 30 20 DBED C=C(Cl)CN1C[C@H]2C(NC(=O)C3CC(=O)NC(=O)C3)[C@@H]2C1 962037317 CZNQAVCGZZHJPE-NXEZZACHSA-N 311.769 -0.162 30 20 DBED CC[C@@H](OC)C(=O)N1C[C@H](O)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 962330136 YGHIBJUPLLUMOK-FRRDWIJNSA-N 320.349 -0.387 30 20 DBED C[C@@H](C#N)C(=O)N1CC(N2CCN(C(=O)[C@@H]3CCOC3)CC2)C1 967193304 AFWFRVDBVCSUKV-QWHCGFSZSA-N 320.393 -0.462 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CN(C)C(=O)N1 969535691 FDJFHHUIGOSUDX-NNYUYHANSA-N 319.365 -0.629 30 20 DBED C#CCCN1CC([C@@H](C)NC(=O)c2cn(CCOC)nn2)C1 969657329 KRRFSPFWSYYCNW-GFCCVEGCSA-N 305.382 -0.002 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)[C@H]3CCCNC3=O)C2)C1 972420434 VJSREAKNDUZFTI-XJKSGUPXSA-N 305.378 -0.551 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)CN3CCCNC3=O)C2)C1 972450414 UVGWAAIUILZSCX-INIZCTEOSA-N 320.393 -0.662 30 20 DBED C=CCN(C)[C@@H]1CCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)C1 972476430 OBFVDTQWTFRBJN-SNVBAGLBSA-N 308.338 -0.874 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]1CN(C)C(=O)C1CC(=O)NC(=O)C1 978015491 OMOVRDRLHFRONM-KOLCDFICSA-N 320.349 -0.742 30 20 DBED C#CCN[C@@H]1C[C@H](C)N(C(=O)CCc2nnc(O)nc2O)C1 989088648 QYUJZGXXNNPVMT-VHSXEESVSA-N 305.338 -0.572 30 20 DBED Cn1c(C(=O)N2CC(NC(=O)c3cc(C#N)c[nH]3)C2)cnc1O 990723083 OYQGGSJPVFSYNV-UHFFFAOYSA-N 314.305 -0.420 30 20 DBED C[C@@H](C(=O)N1CC(NC(=O)c2cc(C#N)c[nH]2)C1)S(C)(=O)=O 990724038 TXVLPAJFGPEWQW-QMMMGPOBSA-N 324.362 -0.740 30 20 DBED C#CCN1CCC[C@H](NC(=O)CN2CCCS2(=O)=O)[C@H]1C 993424749 ZBENYVUWQADYPF-OLZOCXBDSA-N 313.423 -0.376 30 20 DBED C#CCCN1CCC[C@H](NC(=O)c2cn(CC(N)=O)nn2)[C@H]1C 994484605 IZTPSPXXEOMTOU-NEPJUHHUSA-N 318.381 -0.631 30 20 DBED CC(=O)N1CCO[C@@H](C(=O)N2C[C@H](NCC#N)C(C)(C)C2)C1 996573621 KSMXTKLQFALGOX-OLZOCXBDSA-N 308.382 -0.416 30 20 DBED C=CCNC1CCN(C(=O)CCc2nnc(O)nc2O)CC1 996750317 DEQUQCACKUYQBZ-UHFFFAOYSA-N 307.354 -0.018 30 20 DBED O=C1C[C@@H](C(=O)NCC2CN(C(=O)C#CC3CC3)C2)CCN1 1001407546 HWGYVVSRFXKJIH-ZDUSSCGKSA-N 303.362 -0.499 30 20 DBED CC(=O)N1CCC(C(=O)NCC2CN(C(=O)[C@H](C)C#N)C2)CC1 1001827649 AXQGUSGQOBOZJU-LLVKDONJSA-N 320.393 -0.021 30 20 DBED O=C(C#CC1CC1)N1C[C@H]2CC[C@H]1CN2C(=O)Cn1nccn1 1007311980 AOISBHBREXHFOL-UONOGXRCSA-N 313.361 -0.107 30 20 DBED N#CCN1CCC[C@H](NC(=O)[C@H]2CN3CC4CC3(CO2)C4)C1 1007992487 XNHNZUYNHIMBTO-IOSBVQAASA-N 304.394 -0.046 30 20 DBED N#Cc1c[nH]c(C(=O)N2C[C@H]3C(NC(=O)c4nc[nH]n4)[C@@H]3C2)c1 1013582704 DLYBGFVAWWIOFW-RKDXNWHRSA-N 311.305 -0.495 30 20 DBED C=C(Cl)CN1CC[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 1015773977 SBRBWJGZBVUIOQ-BDAKNGLRSA-N 300.746 -0.473 30 20 DBED N#Cc1cc(C(=O)NCC2=CCN(C(=O)C(N)=O)CC2)c[nH]1 1017398196 OVLZJBOGFNDOGC-UHFFFAOYSA-N 301.306 -0.740 30 20 DBED C=CCN1CC[C@H](N[C@H]2CCN(C(=O)c3cnnn3C)C2)C1=O 1018795313 VKVDHEMISDYTSX-RYUDHWBXSA-N 318.381 -0.594 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)C3CCC3)C[C@H]2O)[nH]1 1023429661 VCMARYMYYRETBC-CHWSQXEVSA-N 302.334 -0.012 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2CCCN(CC(N)=O)C2)nn1 1023637424 LBNXBKNLNKLFLF-LLVKDONJSA-N 306.370 -0.609 30 20 DBED C=C(C)CN1CCC[C@H]1CNC(=O)c1cn(CC(N)=O)nn1 1028334521 BZUIZXLVQVVCST-NSHDSACASA-N 306.370 -0.466 30 20 DBED C#CCCN1CC[C@@H](CNC(=O)c2cn(C)c(=O)nc2O)C1 1028980193 NDVNOAZSAYJHJI-NSHDSACASA-N 304.350 -0.439 30 20 DBED CN(Cc1nc(=O)n(C)[nH]1)C[C@H]1CCN(C(=O)C#CC2CC2)C1 1029734116 RNLTZBHZXQXPJI-CYBMUJFWSA-N 317.393 -0.198 30 20 DBED C=CCCN1CC(CNC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 1031870862 GUUMSFZKPKMPCX-ZDUSSCGKSA-N 303.366 -0.010 30 20 DBED C=CCCN1CC(CNC(=O)c2cn(C)c(=O)n(C)c2=O)C1 1032021120 HKQWQBIGWICAGF-UHFFFAOYSA-N 306.366 -0.678 30 20 DBED CS(=O)(=O)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C#N)[nH]1 1032362681 NMOOKOGRMMXEME-RYUDHWBXSA-N 322.390 -0.170 30 20 DBED C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)CC[C@@H]1NC(=O)NC1=O 1032770011 FTQUZZVQIHCPQI-SRVKXCTJSA-N 306.366 -0.164 30 20 DBED C[C@@H](C(N)=O)N1CCO[C@@H](CNC(=O)c2ccc(C#N)[nH]2)C1 1035331181 HJWRVBDOFSHDMS-ONGXEEELSA-N 305.338 -0.809 30 20 DBED C#CCN1CCO[C@H](CNC(=O)c2cn(CCC=C)nn2)C1 1035536387 PQBJKNFXDIUOLQ-CYBMUJFWSA-N 303.366 -0.082 30 20 DBED CC#CCN1CCO[C@H](CNC(=O)c2c[nH]c(C(N)=O)c2)C1 1035615330 XOAOWNVMKBLMPX-GFCCVEGCSA-N 304.350 -0.433 30 20 DBED N#CCN1CC2(CCN(C(=O)CC3CS(=O)(=O)C3)CC2)C1 1035738080 UYIWRRKLGHVEDZ-UHFFFAOYSA-N 311.407 -0.131 30 20 DBED C=CCN[C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C[C@@H]1CC 1037845733 PXQDJUIGGSLWQG-NWDGAFQWSA-N 320.397 -0.220 30 20 DBED N#CCN1CC[C@H]([C@@H]2CCCCN2C(=O)Cn2ncnn2)C1 1039202411 KKSWBPAARCVARN-STQMWFEESA-N 303.370 -0.100 30 20 DBED C=CCCOCC(=O)N1CC[C@@](O)(CNC(=O)c2cnn[nH]2)C1 1040269051 NLSICAXZCNXFOG-CQSZACIVSA-N 323.353 -0.909 30 20 DBED C=CCN1CCC[C@@]2(CCN(C(=O)CN3CCNC(=O)C3)C2)C1 1040329632 WJGHFSBSAHUTFL-QGZVFWFLSA-N 320.437 -0.081 30 20 DBED C=CCO[C@H](C)C(=O)N1CC[C@](O)(CNC(=O)c2cnco2)C1 1040383405 LMQAGRRNBVLQOB-ABAIWWIYSA-N 323.349 -0.041 30 20 DBED O=C(Cc1cnc[nH]1)NC[C@@]1(O)CCN(C(=O)C#CC2CC2)C1 1041034321 BPZQSMWJYBLHKM-INIZCTEOSA-N 316.361 -0.555 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCN(C)C2=O)C1 1041973397 YQXPCPOGOKBFFX-LLVKDONJSA-N 309.366 -0.880 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)c2c(C)n[nH]c2C)C1 1042039667 GXLRLQOXGNEMIA-UHFFFAOYSA-N 322.365 -0.468 30 20 DBED C=C(C)CCC(=O)N1CC(O)(CNC(=O)c2nccnc2N)C1 1042175399 YEZFDJCUQJGCRF-UHFFFAOYSA-N 319.365 -0.282 30 20 DBED Cn1cnc(C(=O)NCC2(O)CN(C(=O)C#CC3CC3)C2)c1 1042546973 IMNNKMCZJITTFM-UHFFFAOYSA-N 302.334 -0.863 30 20 DBED CC(=O)N(C)CC(=O)N1CC(O)(CNC(=O)C#CC(C)(C)C)C1 1042965804 JEXRMKQTHJENRL-UHFFFAOYSA-N 323.393 -0.796 30 20 DBED C=CCC(CC=C)C(=O)N1CC(O)(CNC(=O)c2cnn[nH]2)C1 1043808562 TZTFPFIFXKDQGI-UHFFFAOYSA-N 319.365 -0.124 30 20 DBED C#Cc1ccc(C(=O)NCC2(O)CN(C(=O)C(F)F)C2)cn1 1044255017 OAJLXTBEKAIMMZ-UHFFFAOYSA-N 309.272 -0.369 30 20 DBED C[C@@H]1C[C@@H](NCC#N)CCN1C(=O)Cn1ccc(=O)n(C)c1=O 1044626742 SXHVQRAROMWYDU-NEPJUHHUSA-N 319.365 -0.960 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)c2conc2C)C1 1045535573 MMAGLIWRRFGRLU-LLVKDONJSA-N 321.333 -0.676 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)/C=C\c2ccc[nH]2)C1 1045540809 MARMNGBBUXKFCK-DOGVGXBMSA-N 302.334 -0.123 30 20 DBED N#CCN1CCC2(CC1)CO[C@@H](CNC(=O)[C@@H]1CCNC1=O)C2 1045676660 HQZUZAATBPUIOX-CHWSQXEVSA-N 320.393 -0.367 30 20 DBED C#CCN1CC[C@@H](N2CCN(C(=O)CCc3nc[nH]n3)CC2)C1 1046017816 QZYXMNSFEIAVPW-CQSZACIVSA-N 316.409 -0.411 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)[C@H]2C[C@]23CCOC3)C1 1046583096 ALDDZZPNYQSMDA-CJNGLKHVSA-N 320.389 -0.238 30 20 DBED CN(C)Cc1cc(C(=O)N(C)[C@H]2CN(CC#N)C[C@@H]2O)no1 1047436731 FHXVVTUMYCVTIE-STQMWFEESA-N 307.354 -0.623 30 20 DBED C=C(C)CN1C[C@H](O)[C@@H](N(C)C(=O)Cn2ccc(O)nc2=O)C1 1047446079 TWBWLSQGCHZZMK-RYUDHWBXSA-N 322.365 -0.972 30 20 DBED CC(C)C#CC(=O)N(C)[C@H]1CN(C(=O)Cn2ccnc2)C[C@@H]1O 1048813604 GKYNOMDJWLCLQP-KBPBESRZSA-N 318.377 -0.427 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCN(Cc3nc(=O)n(C)[nH]3)CC2)C1 1050463038 HFIRLUFQKQBPRA-NSHDSACASA-N 318.381 -0.308 30 20 DBED CC#CCN1CCOC[C@@H]1CNC(=O)[C@H]1CCS(=O)(=O)C1 1051011653 MFYQGFCYPKZTCS-STQMWFEESA-N 314.407 -0.739 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)[C@H]1CCCc2nn[nH]c21 1051086154 JONLGGQKEHSYPL-NEPJUHHUSA-N 303.366 -0.325 30 20 DBED C=CCN1CCOC[C@H]1CNC(=O)c1ccc(=O)n(CC)n1 1051173417 SFFHIKCFZKFSFL-GFCCVEGCSA-N 306.366 -0.120 30 20 DBED C=CCCN1CC2(CC[C@H](CNC(=O)[C@@H]3CN(C)C(=O)N3)O2)C1 1053643183 XFDFYHICUAOHGK-OLZOCXBDSA-N 322.409 -0.064 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)[C@@H]3CCN(C)C3=O)CO2)C1 1053893136 KWVQRSBQYUKDJR-STQMWFEESA-N 305.378 -0.553 30 20 DBED N#Cc1nccnc1N1C[C@H]2C(NC(=O)c3cc[n+]([O-])cc3)[C@@H]2C1 1056099692 HYBJAPXJVKZMMP-VXGBXAGGSA-N 322.328 -0.154 30 20 DBED CCn1ncc(C(=O)NC2[C@@H]3CN(c4cncc(C#N)n4)C[C@@H]23)n1 1056200289 DMAVSKPNJRSZAH-GHMZBOCLSA-N 324.348 -0.176 30 20 DBED CCn1ncc(C(=O)NC2[C@H]3CN(c4cnc(C#N)cn4)C[C@H]23)n1 1056204502 ZQVXBUATJQMBPM-QWRGUYRKSA-N 324.348 -0.176 30 20 DBED CN1CC[C@H](C(=O)NC2[C@@H]3CN(c4cncc(C#N)n4)C[C@@H]23)C1 1056229727 ZNHDGQCOXDMZTH-CYZMBNFOSA-N 312.377 -0.149 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)Cc1cc[nH]n1 1057194038 XPIWNZGNINMCGT-UHFFFAOYSA-N 310.354 -0.908 30 20 DBED Cn1nnc(C(=O)N2CCCN(c3cnc(C#N)cn3)CC2)n1 1057211439 FOWZBEHTWFSVDV-UHFFFAOYSA-N 313.325 -0.776 30 20 DBED C=C(Cl)C(C)(C)C(=O)NCCN(CCO)C(=O)CC(N)=O 1057243934 KCEAYVIZTSHVOW-UHFFFAOYSA-N 319.789 -0.422 30 20 DBED C[C@@H]1CC[C@H](C(=O)NCCN(CCO)C(=O)C#CC2CC2)O1 1057535459 AIPSTEYQNGCRQK-TZMCWYRMSA-N 308.378 -0.096 30 20 DBED N#Cc1cnc(N2CC[C@H](NC(=O)Cn3ncnn3)C2)c(F)c1 1058452550 VGLHCTBLFOVDER-JTQLQIEISA-N 316.300 -0.526 30 20 DBED N#Cc1cc(C(=O)NCCN(CCO)C(=O)c2cnon2)c[nH]1 1058510179 JAMWHOTURLLWIO-UHFFFAOYSA-N 318.293 -0.866 30 20 DBED C=C1CC(C)(C(=O)NCCN(CCO)C(=O)Cc2nc[nH]n2)C1 1058890927 PIRMEXIPDDDWQI-UHFFFAOYSA-N 321.381 -0.359 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)Cc1cnc[nH]1 1058948108 KZVSJDUNVALYFM-UHFFFAOYSA-N 310.354 -0.908 30 20 DBED Cn1cc(C(=O)N2CC[C@H](N=c3cc[nH]c(C#N)n3)C2)nc1O 1059050847 NJLLWXGCXDRUGA-VIFPVBQESA-N 313.321 -0.464 30 20 DBED N#Cc1cnc(N[C@H]2C[C@@H](NC(=O)[C@H]3CCNC(=O)C3)C2)cn1 1059596235 BCKAWJBCKISHLQ-GARJFASQSA-N 314.349 -0.066 30 20 DBED C#CCCCC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1CCNC1=O 1061533971 FZNLTHMPKITSIK-QWHCGFSZSA-N 321.377 -0.730 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1COCCN1C(=O)CCN(C)C 1061566600 PVAZKPKXXSAJCJ-CQSZACIVSA-N 309.410 -0.059 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)Cn1ccnc1 1061682534 MLLRVMXKKWPORJ-VXGBXAGGSA-N 305.338 -0.614 30 20 DBED C=C(C)CCC(=O)N1CCOC[C@H]1CNC(=O)[C@H]1CCNC1=O 1061748437 MFQIWLGVYYEERD-OLZOCXBDSA-N 323.393 -0.178 30 20 DBED Cc1cc(CC(=O)N2CCOC[C@H]2CNC(=O)[C@@H](C)C#N)n[nH]1 1061845605 JWEPEBBEQVDFQB-GXFFZTMASA-N 319.365 -0.236 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)c1cnn(C)c1N 1061847254 JVFPGUWQZSZRBS-ZJUUUORDSA-N 320.353 -0.881 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CCCCN1C(=O)[C@@H]1CCC(=O)N1 1062289657 BTZYJSHXTPKSHB-UTUOFQBUSA-N 306.366 -0.078 30 20 DBED Cc1nc(CC(=O)N2C[C@@H]3C[C@H]2CN3c2cncc(C#N)n2)n[nH]1 1062488148 NJSUQKUHGZPNGW-RYUDHWBXSA-N 324.348 -0.193 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(NC(=O)CC(=O)NC)CCC1 1063041839 GFQUOBNNWOYTPU-LLVKDONJSA-N 309.366 -0.684 30 20 DBED N#Cc1cncc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)c2cncnc2O)n1 1064310432 VXFKNPQXOGNZRV-YDEJPDAXSA-N 323.316 -0.149 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CN(C(=O)C2=COCCO2)CCO1 1064801378 QEDCDHBRURYLPS-QWRGUYRKSA-N 309.322 -0.622 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)C[C@@H](C)OC)CCO1 1064954480 WKQGDDPTZBANPM-OLZOCXBDSA-N 314.382 -0.042 30 20 DBED C=CCOCC(=O)N1CCO[C@H](CNC(=O)Cc2cc[nH]n2)C1 1064976726 ORZCIGBHLIGQBH-CYBMUJFWSA-N 322.365 -0.502 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@@H](NC(=O)[C@@H](C)OC)CC1 1065926796 CEPLCHIZCVRPQL-CHWSQXEVSA-N 323.393 -0.342 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CN(c3ccc4nnnn4n3)C[C@@H]2C1 1065975343 ZXBSBJOWMUBHQQ-GARJFASQSA-N 312.337 -0.426 30 20 DBED COCC(=O)N1CC[C@@]2(C1)CN(c1ccnc(C#N)n1)CCO2 1068075125 QNKFIMJOIJTFJF-HNNXBMFYSA-N 317.349 -0.198 30 20 DBED C#CCNC(=O)CC(=O)NCC1(NC(=O)C2CC2)CCOCC1 1069931148 RZVQOKJTRNCDPG-UHFFFAOYSA-N 321.377 -0.683 30 20 DBED C#CCOCCC(=O)N1CCC[C@@H](NC(=O)[C@H](C)NC(C)=O)C1 1070729545 QBPHAQZRRNVIRV-GXTWGEPZSA-N 323.393 -0.342 30 20 DBED C=C(C)CCC(=O)N1C[C@@H](C)[C@@H](NC(=O)Cn2ncnn2)C1 1072222573 MJVPLLLEXZYAIO-NEPJUHHUSA-N 306.370 -0.008 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)c2coc(C(N)=O)c2)C1 1073706132 IYQBSIVCPXURPI-LBPRGKRZSA-N 305.334 -0.168 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(C(=O)Cn2nccn2)C[C@@H]1C 1073818285 YKZMXHQZOVAYSK-STQMWFEESA-N 321.381 -0.166 30 20 DBED C#CCN1C[C@@H]2CCN(C(=O)[C@H]3CCc4nnc(O)n4C3)[C@@H]2C1 1075964845 MVPGOHHXJCNMGL-RWMBFGLXSA-N 315.377 -0.288 30 20 DBED C#CCN1C[C@@H]2CCN(C(=O)[C@@H]3CCCN(C(N)=O)C3)[C@@H]2C1 1076008777 HCTADCXDJCEMKH-BFHYXJOUSA-N 304.394 -0.057 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)CNC(=O)C2CC2)C[C@H]1O 1081333337 RRFCSKNYMJZZPO-CHWSQXEVSA-N 323.393 -0.586 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)CCn2ccnn2)C[C@H]1O 1081335837 PVOOPEKIGWKHLL-QWHCGFSZSA-N 321.381 -0.430 30 20 DBED Cc1c[nH]c(C(=O)NC[C@H]2CN(C(=O)C#CC(C)C)C[C@H]2O)n1 1081520995 VLMDHYYHARXOEY-QWHCGFSZSA-N 318.377 -0.073 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@H](CNC(=O)C23CCN(CC2)C3)C1 1081618788 VPWMISMVVABXDB-KGLIPLIRSA-N 321.421 -0.016 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cc(=O)n(C)cn1 1083109588 HGHKLZWVLMBPNZ-UONOGXRCSA-N 316.361 -0.671 30 20 DBED C=C(C)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)Cn1c(O)nnc1O 1083258748 UDMAJDBKJQEVSG-WDEREUQCSA-N 323.353 -0.823 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN([C@@H](C)c3nnnn3C)C[C@@H]2O)C1 1083763009 VMTMIEUARDUANV-TUAOUCFPSA-N 320.397 -0.211 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)Cc2cccc3nsnc23)C1 1084132680 CDPHNYBHSKZHRV-NEPJUHHUSA-N 317.374 -0.081 30 20 DBED C=CCN[C@H]1C[C@@H](CNC(=O)[C@@H]2CCN(C)S2(=O)=O)C1 1086223413 OSGZUHZSSACJMR-TUAOUCFPSA-N 301.412 -0.309 30 20 DBED C#CCN[C@H]1C[C@@H](CNC(=O)c2cn([C@@H]3CCOC3)nn2)C1 1086249665 KUHCGZONFYUSHD-FRRDWIJNSA-N 303.366 -0.029 30 20 DBED C=CCN1CC[C@@H](N[C@H]2C[C@H](CNC(=O)c3cnn[nH]3)C2)C1=O 1086415313 IYXWJJLKVWIAEE-IJLUTSLNSA-N 318.381 -0.310 30 20 DBED CNC(=O)NCC(=O)N[C@@H](C)C[C@@H](C)Nc1cncc(C#N)n1 1089498814 JOYMHCNVGFTGGA-ZJUUUORDSA-N 319.369 -0.028 30 20 DBED N#CCN1C[C@H]2[C@@H]3CC[C@@H](CN3C(=O)CCn3cnnn3)[C@H]2C1 1089882219 WETFYHZBIHBAQL-DGAVXFQQSA-N 315.381 -0.244 30 20 DBED N#Cc1c(F)cccc1N1C[C@@H](O)[C@H](NC(=O)CC(N)=O)C1 1090387059 GJXAGEBUQPEQGS-ZYHUDNBSSA-N 306.297 -0.762 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2ccoc2CC(N)=O)[C@@H](O)C1 1090514508 KASGSJSOWGRDDG-STQMWFEESA-N 319.361 -0.504 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2cnn3cc(C)cnc23)[C@@H](O)C1 1090611430 FFXIZXOEVZHJJX-KGLIPLIRSA-N 313.361 -0.164 30 20 DBED CC(=O)N[C@@H](C)C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1C 1090649172 IKTUIWQCLONXOV-JFGNBEQYSA-N 316.365 -0.186 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2c(OC)ncnc2OC)[C@H](O)C1 1090843512 JODPCWPOINTGHT-GHMZBOCLSA-N 320.349 -0.708 30 20 DBED C#Cc1cncc(C(=O)N2C[C@H]3CN(CC(N)=O)C[C@@]3(C)C2)c1 1091997208 QSJFAHOJMAQJOR-PBHICJAKSA-N 312.373 -0.058 30 20 DBED N#Cc1c[nH]ccc1=NC1CC(CNC(=O)Cn2ncnn2)C1 1092240896 KGFQEXCULQASHL-UHFFFAOYSA-N 312.337 -0.631 30 20 DBED COc1coc(C(=O)NCCN=c2cc[nH]c(C#N)n2)cc1=O 1093993607 KLIZGTHEOIGHHE-UHFFFAOYSA-N 315.289 -0.426 30 20 DBED CCN1C[C@@H](C(=O)NCCN=c2cc[nH]cc2C#N)CC1=O 1094190679 STXAGFBIHHFKEX-NSHDSACASA-N 301.350 -0.228 30 20 DBED CC(=O)N[C@H](C)C(=O)N[C@H]1C[C@@H](Nc2cncc(C#N)n2)C1 1097145170 XQTARBAUFCHTSI-IEBDPFPHSA-N 302.338 -0.068 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H](C)Nc1nccc(OC)n1 1097768339 KIBSJNXVTCQFQZ-SNVBAGLBSA-N 305.338 -0.459 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CCNC(=O)C1)Nc1cnc(C#N)cn1 1097774412 QGQQLWMSDIYCIR-VHSXEESVSA-N 302.338 -0.209 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(N)=O)nn1 1097997613 KTTITYOSACERRY-FOGDFJRCSA-N 304.354 -0.716 30 20 DBED C[C@H](CNC(=O)c1cc(=O)n(C)cn1)Nc1cncc(C#N)n1 1098362360 CFWGLBXATDMMLU-SECBINFHSA-N 313.321 -0.328 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2cnn(C)c2)[C@@H](O)C1 1099651159 QARMDQLKLGTEBO-KGLIPLIRSA-N 306.366 -0.765 30 20 DBED C=CCCC(=O)N[C@H]1CCN(CCCS(C)(=O)=O)C[C@H]1O 1099724571 OWYFRZQWLWNSRH-QWHCGFSZSA-N 318.439 -0.061 30 20 DBED Cc1ccc(C#N)c(N(C)CCNC(=O)CS(C)(=O)=O)n1 1099976481 KRGGUXPQUFOQOM-UHFFFAOYSA-N 310.379 -0.141 30 20 DBED C#CCN1CC[C@@H](NC(=O)CNC(=O)c2cccs2)[C@H](O)C1 1100097014 QCVXVTCMJSQTQL-VXGBXAGGSA-N 321.402 -0.338 30 20 DBED C=CCCN1CC[C@H](NC(=O)CS(=O)(=O)CCC)[C@H](O)C1 1100113564 BWZBOLHYMQRWMM-QWHCGFSZSA-N 318.439 -0.061 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)c2cc(C)ncn2)C1 1100245995 MUWQRPGBLGVOFN-UHFFFAOYSA-N 315.377 -0.368 30 20 DBED C#CCCCC(=O)NCC1CC(NCCN2C(=O)CNC2=O)C1 1100284334 KBRMHBAIWIYADT-UHFFFAOYSA-N 320.393 -0.174 30 20 DBED CCN(CCNC(=O)[C@H](C)NC(C)=O)c1ccnc(C#N)n1 1100434873 RQRYGSKTMCMOQA-JTQLQIEISA-N 304.354 -0.185 30 20 DBED CS(=O)(=O)CC(=O)NC[C@H]1CCN(c2ccc(C#N)nc2)C1 1100961351 HPXUTHDQRMQQGO-LLVKDONJSA-N 322.390 -0.060 30 20 DBED C=CCOCC(=O)N1C[C@H]2CN(Cc3nnn(C)n3)C[C@@]2(C)C1 1101174198 JAHVVMVRQLJOHO-DOMZBBRYSA-N 320.397 -0.307 30 20 DBED C[C@@]12CN(CC(=O)NCC#N)C[C@@H]1CN(C(=O)c1cnon1)C2 1101398143 ZTNUQIUFOMYBRC-YGRLFVJLSA-N 318.337 -0.897 30 20 DBED CN(CCN=c1cc[nH]cc1C#N)C(=O)c1nc2ncccn2n1 1101723669 OHHOSNRESVNGSP-UHFFFAOYSA-N 322.332 -0.003 30 20 DBED CNC(=O)NCC(=O)N1CCC[C@@H]1CN=c1cc[nH]c(C#N)n1 1103824465 ICMURTGNBHSADG-SNVBAGLBSA-N 317.353 -0.898 30 20 DBED C[C@H](CN=c1cc[nH]cc1C#N)CNC(=O)[C@@H]1COCCO1 1103880266 WXZXOAUTKRJRQB-RISCZKNCSA-N 304.350 -0.045 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](C)CNC(=O)CCNC(N)=O)n1 1103967889 RJRYXPRWOHVVOW-VIFPVBQESA-N 319.369 -0.121 30 20 DBED C[C@@H](CNc1cncc(C#N)n1)N(C)C(=O)C1(C(N)=O)CC1 1104790819 AWGGIHILYQFJBY-VIFPVBQESA-N 302.338 -0.127 30 20 DBED C[C@@H]1CN(C(=O)c2cn(C)c(=O)nc2O)C[C@H]1CCNCC#N 1105007802 WVYPTBFAJMUTLS-GHMZBOCLSA-N 319.365 -0.303 30 20 DBED C#CCCNCc1cn(C2CN(C(=O)Cn3nccn3)C2)nn1 1105247110 PUERPYFVSGSYLC-UHFFFAOYSA-N 314.353 -0.934 30 20 DBED CN(CCN(C)c1cnc(C#N)cn1)C(=O)[C@H]1COCCN1C 1105373379 UKOBWVVFZXRNDT-CYBMUJFWSA-N 318.381 -0.427 30 20 DBED N#Cc1nc(=NC[C@H](O)CNC(=O)C[C@H]2CCCO2)cc[nH]1 1105719025 WKVAVMBAYMOERA-WDEREUQCSA-N 305.338 -0.772 30 20 DBED N#Cc1nccnc1NC[C@@H](O)CNC(=O)c1ncccc1O 1105801855 DJVHXTORBSDYTP-SECBINFHSA-N 314.305 -0.348 30 20 DBED C[C@@]1(C(=O)NC[C@H](O)CNc2ccc(C#N)nn2)CCOC1 1105939539 VGDPHSKWUPAHRZ-BXUZGUMPSA-N 305.338 -0.336 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)[C@H]1CN(C)C(=O)N1 1106906802 HLPRIBJGRCVOBK-SNVBAGLBSA-N 317.353 -0.946 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)CCCn1cncn1 1107913689 NQDZXIYOZLDAIH-LLVKDONJSA-N 314.353 -0.241 30 20 DBED CC#CCN1CCO[C@@](C)(CNC(=O)[C@H]2CC(=O)N(C)C2)C1 1107983320 ISFZPVZTQRAYBK-BBRMVZONSA-N 307.394 -0.305 30 20 DBED COc1nccc(C(=O)NC[C@]2(C)CN(CC#N)CCO2)n1 1108064858 NYYNOVXLXHQYQT-CQSZACIVSA-N 305.338 -0.171 30 20 DBED C#CCCN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1cnnc1O)C2 1108663534 PJTGHNSYNVEWLY-AVGNSLFASA-N 303.366 -0.024 30 20 DBED CC#CCN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN1CCNC(=O)C1)C2 1108738607 BCRAULWJDJFLFB-ZNMIVQPWSA-N 318.421 -0.589 30 20 DBED C#CCNC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cc[nH]n1 1108953989 ZQZSJQCGNKVPDB-XCCSTKFXSA-N 315.377 -0.117 30 20 DBED CN1CCO[C@H](C(=O)N(C)CCCN=c2cc[nH]cc2C#N)C1 1109418658 AXBYWIGVFOUCRH-HNNXBMFYSA-N 317.393 -0.034 30 20 DBED N#Cc1c[nH]ccc1=NC1(CNC(=O)[C@@H]2CCNC(=O)C2)CC1 1110120546 KMHDKYWEKZOUEP-LLVKDONJSA-N 313.361 -0.038 30 20 DBED CO[C@@H](C)C(=O)N(CCO)CCN=c1cc(C)[nH]cc1C#N 1111434846 JKEFONVJBLDDCS-LBPRGKRZSA-N 306.366 -0.049 30 20 DBED N#Cc1cncc(NCCN(CCO)C(=O)[C@@H]2[C@H]3COC[C@H]32)n1 1111536160 DLMJNSPVBDEABM-IMRBUKKESA-N 317.349 -0.527 30 20 DBED N#Cc1cnc(NCCN(CCO)C(=O)C(N)=O)c(Cl)c1 1111557156 KEIMSAYFIUHDJS-UHFFFAOYSA-N 311.729 -0.675 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H]2CCC[C@]2(NC(=O)COC)C1 1111559309 XYKHKXWYUHENJY-WWGRRREGSA-N 307.394 -0.259 30 20 DBED CNC(=O)CN[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1C(F)(F)F 1112068569 GAFNGFJMIQGINU-DJLDLDEBSA-N 306.288 -0.129 30 20 DBED COCC(=O)NC[C@H]1CN(c2ccc(C#N)c(C)n2)C[C@@H]1O 1112691473 FTYYRDRKOOSLGZ-STQMWFEESA-N 304.350 -0.179 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(c2nccc(OC)n2)C[C@@H]1O 1112701915 MABCSGSJVDXKIL-RYUDHWBXSA-N 322.365 -0.399 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)c2cn(C)cn2)CC1 1112767454 TXXQEKLNJNPMNT-GFCCVEGCSA-N 305.382 -0.131 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCN(CC(=O)NC(=O)NCC)CC1 1112844933 MVQAMGHEJBDNDI-LBPRGKRZSA-N 324.381 -0.985 30 20 DBED C=C(Cl)CN1CCN(C(=O)[C@H](C)NS(C)(=O)=O)CC1 1113383767 QEDLOOQCOFMHNJ-JTQLQIEISA-N 309.819 -0.179 30 20 DBED C=C(C)CCN1CCN(C(=O)CNC(=O)Cn2cncn2)CC1 1113679159 FRBZKZRZDJJILK-UHFFFAOYSA-N 320.397 -0.495 30 20 DBED C[C@@H](CNC(=O)C[C@H]1CCNC1=O)N(C)c1ccnc(C#N)n1 1113755578 GTIFDXYAYBZHKO-WDEREUQCSA-N 316.365 -0.185 30 20 DBED C#CCCCC(=O)N[C@H]1[C@@H]2CN(C[C@H](O)COCCOC)C[C@@H]21 1114198613 FQWLEZVUHXNJSB-LJIGWXMPSA-N 324.421 -0.140 30 20 DBED C#CCC1(C(=O)NC2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]23)CCC1 1114394899 LAHUJAVQFWJIIT-CHWSQXEVSA-N 314.389 -0.134 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)C(C)(C)COC)[C@H]2C1 1114569431 ZKCCYFXQGALAAH-IMRBUKKESA-N 307.394 -0.545 30 20 DBED N#CCNC(=O)CNC(=O)C(=O)Nc1ccc2scnc2c1 1117461678 ZEBYISVAXZKOFG-UHFFFAOYSA-N 317.330 -0.009 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N1CCC(O)(COC)CC1 1117582492 TZOCNDUHVKGNIS-NSHDSACASA-N 300.355 -0.697 30 20 DBED CCN1CCCC[C@H]1CNC(=O)C(=O)N1CC[C@](O)(CC#N)C1 1118152556 NMMULFDWFXODGC-XJKSGUPXSA-N 322.409 -0.146 30 20 DBED CNCCCc1[nH]nc(NC(=O)[C@H]2CC[C@@H]2C(N)=O)c1C#N 1118752659 RXESHFWDKLEKBH-IUCAKERBSA-N 304.354 -0.117 30 20 DBED C[C@H]1CN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)CCO1 1118948121 MQAQUWDEJHVKQE-WCQYABFASA-N 306.366 -0.568 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)C2=COCCO2)nn1 1121003248 GUEFOTHZSOSNST-JTQLQIEISA-N 305.294 -0.875 30 20 DBED N#Cc1cc(C(=O)NC[C@@H](CO)N=c2cc[nH]c(C#N)n2)c[nH]1 1121353207 NYMPSGJUMXDDCJ-NSHDSACASA-N 311.305 -0.827 30 20 DBED CN1CCC(C(=O)NC[C@@H](CO)N=c2cc[nH]cc2C#N)CC1 1121718943 UGSWSBBZJJYZSA-AWEZNQCLSA-N 317.393 -0.394 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)Cc2ncc[nH]2)nn1 1121976659 DPQMVMFISASKJY-JTQLQIEISA-N 301.310 -0.797 30 20 DBED Cn1c(C(=O)NC[C@@H](CO)Nc2ncccc2C#N)cnc1O 1122304886 UAIKCAXMSSATNK-JTQLQIEISA-N 316.321 -0.405 30 20 DBED Cc1cc(C#N)nc(N[C@@H](CO)CNC(=O)[C@H](C)CC(N)=O)n1 1122355561 MGLKVEAGYDZVPP-LDYMZIIASA-N 320.353 -0.943 30 20 DBED C[C@@H]1CCO[C@@H]1C(=O)NC[C@H](CO)Nc1cncc(C#N)n1 1122584344 GKPPDKTYMRGMDY-XWIASGKRSA-N 305.338 -0.338 30 20 DBED C=CCn1cc(C(=O)NC[C@@H](CO)Nc2ncccn2)nn1 1122634703 DECAAEXDNZCXMD-JTQLQIEISA-N 303.326 -0.543 30 20 DBED N#Cc1nc(=N[C@@H](CO)CNC(=O)CCc2cn[nH]c2)cc[nH]1 1122704664 NURYEKCOIUCLEP-LLVKDONJSA-N 315.337 -0.985 30 20 DBED CC(=O)NCC(=O)N[C@H]1CCCN(c2nccnc2C#N)[C@@H]1C 1123516189 ZUGCCRGKSPZZBF-PWSUYJOCSA-N 316.365 -0.042 30 20 DBED N#Cc1nc(=NC[C@@H]2CC[C@@H](NC(=O)CNC(N)=O)C2)cc[nH]1 1123719448 OZSRCNZGWPKUPM-NXEZZACHSA-N 317.353 -0.865 30 20 DBED CN(C[C@H](O)CNc1ncccc1C#N)C(=O)[C@H]1COCCO1 1124045910 KPENNDFNVZILRV-CHWSQXEVSA-N 320.349 -0.400 30 20 DBED COC(=O)NCC(=O)N(C)C[C@H](O)CNc1ccc(C#N)nc1 1124090336 GSTGGMUQQFVYQO-GFCCVEGCSA-N 321.337 -0.460 30 20 DBED C#CCOCCC(=O)N(C)C[C@@H](O)CNc1ncc(F)cn1 1124513321 QFIULFLIEBXOEN-LBPRGKRZSA-N 310.329 -0.113 30 20 DBED Cc1nn[nH]c1C(=O)N(C)C[C@@H](O)CNc1ccc(C#N)nn1 1124634167 XUIQIHDSWMNWJR-JTQLQIEISA-N 316.325 -0.680 30 20 DBED CN(C[C@H](O)CN(C)c1ccnc(C#N)n1)C(=O)c1cn[nH]c1 1125030361 WRWFRTBEXCPJRD-LLVKDONJSA-N 315.337 -0.359 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)CNC(=O)C2CC2)C1 1128729996 BKIJCBLNXSEQIU-OLZOCXBDSA-N 318.381 -0.668 30 20 DBED C#CCN[C@@H]1CN(C(=O)CCCCN(C)C)C[C@@H]1n1ccnn1 1130096342 FLGPCLCEGQTELW-CABCVRRESA-N 318.425 -0.015 30 20 DBED C=CCOCCNCCNC(=O)CCCn1c(O)nnc1O 1130556810 ZBMZQQBRUZFIMW-UHFFFAOYSA-N 313.358 -0.622 30 20 DBED CCOCC(=O)NCc1nc([C@H]2COCCN2CC#N)n[nH]1 1130828805 OKSHTRZQTAAOOC-SNVBAGLBSA-N 308.342 -0.646 30 20 DBED CC#CCN1C[C@H]2C[C@H]3CN(C(=O)CC(=O)NCC)C[C@@]3(C1)O2 1131220745 QOVKYYUQHWPWBM-JJRVBVJISA-N 319.405 -0.162 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1onc2c1CCCC2 1131307737 BXWPWMBSCBZJHV-UHFFFAOYSA-N 305.338 -0.487 30 20 DBED C=CCOCC(=O)N[C@@H]1CC[C@H](C)N(Cc2nnn(C)n2)C1 1131947858 YINRMXWHMVHFMP-NWDGAFQWSA-N 308.386 -0.118 30 20 DBED C#CCN1C[C@H](NC(=O)CCn2ncn(C)c2=O)CC[C@H]1C 1132200948 VOYHEOOPBQQWMU-CHWSQXEVSA-N 305.382 -0.426 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cnc2c(c1)ncn2C 1132268514 KEDWTZUUDSNRME-UHFFFAOYSA-N 314.349 -0.963 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)c1ccoc1CC(N)=O 1132958842 XAPPEKZLDMTTEG-SNVBAGLBSA-N 322.365 -0.683 30 20 DBED N#CCNC(=O)CNCCNC(=O)Cc1ccncc1Cl 1133868096 ZAKWWITWCSXRAY-UHFFFAOYSA-N 309.757 -0.377 30 20 DBED Cc1nc(C(C)C)ncc1C(=O)NCCNCC(=O)NCC#N 1134859923 FFSYVLZOGPYQKK-UHFFFAOYSA-N 318.381 -0.132 30 20 DBED C#Cc1ccc(C(=O)NCCNCC(=O)Nc2cnccn2)nc1 1148370221 NZQHMQMZYWBALA-UHFFFAOYSA-N 324.344 -0.189 30 20 DBED C#CCN1CCC2(C1)CN(C(=O)CCS(=O)(=O)N(C)C)C2 1148818383 BLZGSMMGPJKHEG-UHFFFAOYSA-N 313.423 -0.565 30 20 DBED C=CCOCCN1CCCO[C@H](CNC(=O)CNC(C)=O)C1 1149082763 OOQKUQOUMISRLP-CQSZACIVSA-N 313.398 -0.468 30 20 DBED C=C(Cl)CNCCNC(=O)C[C@]1(C)CCS(=O)(=O)N1 1149106065 YARKXXLIVORHQD-NSHDSACASA-N 309.819 -0.083 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)CCS(C)(=O)=O)C1 1149902852 JXGVTHZIYOQQBO-LBPRGKRZSA-N 302.396 -0.739 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)C(=O)N2CC[C@H](C)C2)C1 1150571878 KRUPOSFJEUAEAC-UONOGXRCSA-N 307.394 -0.305 30 20 DBED CN(C)c1ccc(C(=O)NCCNCC(=O)NCC#N)cc1F 1152511349 ZWFZXASGIUMXRY-UHFFFAOYSA-N 321.356 -0.149 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)CCCC(=O)NC 1156875021 RGMUWJGFWHKUKW-LBPRGKRZSA-N 310.398 -0.864 30 20 DBED C#CCCCC(=O)NCCCNC[C@@H](O)CN1C(=O)CCC1=O 1157179136 WPNKFMIXTILNIF-CYBMUJFWSA-N 323.393 -0.604 30 20 DBED CN(CC(=O)NCC#N)C[C@H]1CCCCN1C(=O)c1cn[nH]c1 1157597090 PMQYRCPHNSJGLH-CYBMUJFWSA-N 318.381 -0.024 30 20 DBED C[C@H](C#N)C(=O)NCCC1(CNCC(=O)N2CCOCC2)CC1 1163854270 MAJAZLRVJFEYNA-CYBMUJFWSA-N 322.409 -0.119 30 20 DBED CC#CCNCC1(CCNC(=O)Cn2c(O)nnc2O)CC1 1167888629 YHDLPUQLAUDQNZ-UHFFFAOYSA-N 307.354 -0.411 30 20 DBED C=CCNC(=O)CNCCCC[C@H](C)NC(=O)CNC(C)=O 1168873449 JDMOGVKEQXACEX-LBPRGKRZSA-N 312.414 -0.311 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)COCCCOC 1170530242 RIXGURFKILZTGK-ZDUSSCGKSA-N 315.414 -0.174 30 20 DBED C#CCNC(=O)CNCCCC[C@@H](C)NC(=O)[C@H]1CCNC1=O 1174661044 TZGLWQVYQUKXHO-OLZOCXBDSA-N 322.409 -0.864 30 20 DBED C#CCNCCCC[C@H](C)NC(=O)[C@@H](CCC(N)=O)NC(C)=O 1175719162 GACVUECTRUCNMS-GXTWGEPZSA-N 324.425 -0.346 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)CSCC#N)[C@H]1C 1178147912 MMOCQTLSZQZHHE-RYUDHWBXSA-N 308.407 -0.428 30 20 DBED COC[C@H](C)C(=O)N1C[C@@H](C)[C@](C)(CNCC(=O)NCC#N)C1 1180869370 RDFZGKXKHOIJCH-WOSRLPQWSA-N 324.425 -0.017 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2cnc3n2CCC3)C1 1183354259 YDMQGIXRYNUPGP-GFCCVEGCSA-N 315.377 -0.617 30 20 DBED C=CCOCCN[C@@H]1CCN(C(=O)CCS(C)(=O)=O)C1 1183690992 AKTGMKHTURRTOP-GFCCVEGCSA-N 304.412 -0.186 30 20 DBED C[C@H]1CN(C(=O)c2cn(C)c(=O)n2C)CC[C@@H]1CNCC#N 1185762632 OIHTZOBALQCNKK-NWDGAFQWSA-N 305.382 -0.065 30 20 DBED Cc1ncoc1C(=O)N1CC[C@H]2CN(CC(=O)NCC#N)C[C@H]21 1187447726 MDCUPBMVVXZGGC-NWDGAFQWSA-N 317.349 -0.231 30 20 DBED CC(C)C#CC(=O)N1CC[C@H]2CN([C@H](C)C(=O)NC(N)=O)C[C@H]21 1187827210 AGQXZPNTQOBOSQ-FRRDWIJNSA-N 320.393 -0.238 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2cnn(C)c2)C1 1188803616 MAGOKUWQVYZWHA-ZDUSSCGKSA-N 303.366 -0.684 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)Cc2cncnc2)C1 1189875208 WSLDUJUHHPUAPX-CQSZACIVSA-N 317.393 -0.146 30 20 DBED C=C(Cl)CN1C[C@@H]2CCN(C(=O)CS(=O)(=O)NC)[C@@H]2C1 1190203192 IOPOXBRCIGEPMG-WDEREUQCSA-N 321.830 -0.179 30 20 DBED Cc1nc(C)c(C(=O)N2CC[C@H](N(C)CC(=O)NCC#N)C2)[nH]1 1192397139 KUDGIAOPRYJGSC-LBPRGKRZSA-N 318.381 -0.187 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@H]1CCN(C(=O)CC(=O)N(C)C)C1 1192760214 WNIUXBVCEQQDEY-STQMWFEESA-N 322.409 -0.865 30 20 DBED CC#CCN(C)[C@@H]1CCN(C(=O)[C@H]2CCN(C)S2(=O)=O)C1 1192795426 YRZWEERBXUVNTB-CHWSQXEVSA-N 313.423 -0.424 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(CCc2ccnn2C)C[C@H]1O 1192878793 MBLBCOMODIDWNC-HUUCEWRRSA-N 320.393 -0.836 30 20 DBED C=CCCCN1C[C@@H](O)[C@H](NC(=O)CCCCNC(N)=O)C1 1194500828 WNSGQDZAJCDLIY-CHWSQXEVSA-N 312.414 -0.048 30 20 DBED N#CCNC(=O)CN1CCCN(C(=O)c2cnccn2)CC1 1194681916 PITXRAFSYHFNDZ-UHFFFAOYSA-N 302.338 -0.736 30 20 DBED C#CCO[C@H](C)C(=O)N1CCCN(CC(=O)NCC#N)CC1 1195791381 BKHKCWNYHPOZEV-CYBMUJFWSA-N 306.366 -0.801 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2CC(C)C)C1 1196268429 SWHQXMHNIPEGNI-KBUPBQIOSA-N 321.421 -0.421 30 20 DBED C#CCCN1CCCN(C(=O)CCCS(N)(=O)=O)CC1 1196993491 NFAFWIMROKGPIK-UHFFFAOYSA-N 301.412 -0.387 30 20 DBED N#CCNC(=O)CNC1CCN(C(=O)CC2OCCCO2)CC1 1200224984 LYNNRAONCPGABP-UHFFFAOYSA-N 324.381 -0.640 30 20 DBED C#CCNC[C@H]1CN(C(=O)[C@H]2CCN(C)C(=O)C2)CCCO1 1200824296 LGJKKPROSKDBGQ-KBPBESRZSA-N 307.394 -0.305 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@H]2CC[C@H]1N(C(=O)c1ncc[nH]1)C2 1204295697 NRHBWJWGBZLXMA-FRRDWIJNSA-N 315.377 -0.258 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)C2CCOCC2)C1 1207020884 BHBIITNAYMGJFI-CQSZACIVSA-N 307.394 -0.257 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCCN(C(=O)c2cn(C)nn2)C1 1207974394 GIWKZWZQCDXQCB-RYUDHWBXSA-N 318.381 -0.853 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)CC2(O)CCC2)C1 1207989467 OONLRIUTNBXNKR-CYBMUJFWSA-N 307.394 -0.379 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2ccn(CC)n2)[C@H](C)C1 1209142029 DKIAAOJTGQXCCA-TZMCWYRMSA-N 317.393 -0.298 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1C[C@@H](NCCOCCO)[C@H](C)C1 1214879470 ZNANMGYDUWDPFP-OAGGEKHMSA-N 323.437 -0.471 30 20 DBED C#CCC1(C(=O)N[C@@H]2CN(C[C@H](C)O)C[C@@H]2O)CCOCC1 1219780659 ZDVPWKYSFUZPFW-MJBXVCDLSA-N 310.394 -0.651 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)C(C)(C)C=C)C1 1220147792 NYIQQLQUXBRLLM-UPJWGTAASA-N 307.394 -0.502 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@]23CCCC[C@H]2C3)C1 1220310481 DXORUBWWIXNXDP-LOUJCGABSA-N 319.405 -0.523 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C2(C)CC(=C)C2)C1 1220315120 SWMGCKUMBLYMGW-OLZOCXBDSA-N 305.378 -0.747 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C2CC3(CC3)C2)C1 1220331164 MNORJLAHICLGMP-OLZOCXBDSA-N 305.378 -0.913 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)[C@@H](CC)NC(C)=O)C1 1220396065 HLCZGEOXBYXYTM-UTUOFQBUSA-N 303.790 -0.185 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)c2c(C)n[nH]c2C)C1 1220560007 MNYXQXAUJPJVIX-OLZOCXBDSA-N 306.366 -0.549 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)CN(C)CCC)CC1 1225228542 PALNJICAUBIGJY-UHFFFAOYSA-N 322.453 -0.094 30 20 DBED N#CCN1CCC(CNC(=O)CC[C@H]2NC(=O)NC2=O)CC1 1225372369 MOTOMWUYEFPFSG-LLVKDONJSA-N 307.354 -0.674 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC(NC(=O)COCC=C)CC1 1226570914 LNFDKNKNRNYRRZ-ZDUSSCGKSA-N 307.394 -0.093 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC(NC(=O)[C@H]2CCCN2C)CC1 1226608655 PFXACXJWJYZHDT-DZGCQCFKSA-N 320.437 -0.201 30 20 DBED COCC#CCN1CC[C@H]1CN(C)C(=O)CCc1nc[nH]n1 1233559252 AQGSUNLNWPIIAN-ZDUSSCGKSA-N 305.382 -0.080 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)c1cnnc(C)c1 1233866089 NHPHJAHPNITOSP-CQSZACIVSA-N 315.377 -0.319 30 20 DBED CC(C)N(C)C(=O)C1CCN(C(=O)NCC(=O)NCC#N)CC1 1261100443 RKSLYXPERVKKMN-UHFFFAOYSA-N 323.397 -0.085 30 20 DBED N#Cc1ccc(CNC(=O)C(=O)NC[C@@H]2COCCN2)cc1F 1261819421 YSTSPHXUEVVUJV-GFCCVEGCSA-N 320.324 -0.582 30 20 DBED CCN(C)C(=O)[C@@H](C)NC(=O)C(=O)Nc1cnn(CC#N)c1 1320685919 TZEGKYINSFTGEI-SECBINFHSA-N 306.326 -0.672 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)Cn1nc2n(c1=O)CCCCC2 1322579342 MVBDAXQGIZWZRD-NSHDSACASA-N 320.349 -0.548 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)NCC(C)(C)N1CCOCC1 1325428110 ZLJFNJAGQVYSBB-GFCCVEGCSA-N 313.398 -0.469 30 20 DBED CN(C)C(=O)CCNC(=O)C(=O)NCCc1ccc(C#N)cc1 1327908717 UJURZBBVEJBIHW-UHFFFAOYSA-N 316.361 -0.189 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)NCCc2ccc(O)cc2)C1 1329320080 GSDAPEQGVCHKNF-INIZCTEOSA-N 317.345 -0.072 30 20 DBED C=C(C)CN(C)C(=O)C(=O)N(C)C[C@@H](O)CN1CCOCC1 1331380440 XBFPSDXTYLLMPY-CYBMUJFWSA-N 313.398 -0.828 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)N2CCC[C@H]2C2OCCO2)CCO1 1335144802 XOHFYWSKIROFDO-QWRGUYRKSA-N 309.322 -0.899 30 20 DBED CC(C)OC[C@H](CO)N(C)C(=O)C(=O)N1CCC[C@H](C#N)C1 1335561689 RFPWEZSOVYENTH-OLZOCXBDSA-N 311.382 -0.007 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)Nc1cccc(-n2cnnn2)c1 1338112347 LNWBSEUTUPOAAQ-SNVBAGLBSA-N 316.321 -0.082 30 20 DBED C=C[C@@H](COC)NC(=O)CCn1cc(S(N)(=O)=O)cn1 1342776517 FATGVQRSBDFJMX-VIFPVBQESA-N 302.356 -0.762 30 20 DBED N#CCCCCNC(=O)C(=O)N1CC[C@H]2NC(=O)CC[C@H]2C1 1347497850 GMAYMXTYDGYNDH-NWDGAFQWSA-N 306.366 -0.076 30 20 DBED CO[C@@]1(C(=O)Nc2ccn(CCC#N)n2)CCS(=O)(=O)C1 1361502728 PZCBKBRKZRNERA-LBPRGKRZSA-N 312.351 -0.061 30 20 DBED CN(C)C1(CNC(=O)CCn2cc(C#N)c(O)nc2=O)CCC1 1362518344 HHVATCQBFKDSMJ-UHFFFAOYSA-N 319.365 -0.189 30 20 DBED CCCN(CCC)C(=O)CN1CC(O)(CNC(=O)[C@@H](C)C#N)C1 1368290467 QSCBRRFYOQCRAE-ZDUSSCGKSA-N 324.425 -0.042 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)COCC2CC2)C1 1380123664 OISDMUAKEZXRJX-NHYWBVRUSA-N 309.366 -0.348 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](CNC(=O)CCn1ccnn1)C1CC1 1385864234 GWYGLURMNWOYMZ-CMPLNLGQSA-N 304.354 -0.161 30 20 DBED C[C@@H](C#N)C(=O)NC1CN([C@@H](C)C(=O)Nc2ncccn2)C1 1391414357 CXGHAMNAFYZGMN-UWVGGRQHSA-N 302.338 -0.236 30 20 DBED CCN(CCC#N)C(=O)CN1CC(CNC(=O)[C@@H](C)C#N)C1 1400479291 VDQFNRKSRJULJR-LBPRGKRZSA-N 305.382 -0.044 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)CCc2cnc[nH]2)C1 1406262784 KJVRRLQJHRGTSB-YUSALJHKSA-N 305.338 -0.810 30 20 DBED C[C@@H]1OCC[C@@]12CN(c1[nH]c(=O)n(C)c(=O)c1C#N)CCO2 1413892730 KRMAGAAPFVNSGH-LKFCYVNXSA-N 306.322 -0.671 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)CCc2nccn2C)C1 1413978656 NZJFIWDMWLPEJP-QJPTWQEYSA-N 319.365 -0.800 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CCN(C(=O)c2cnn(C)c2N)C1 1415302782 QONMGTKBHZXPNF-UWVGGRQHSA-N 304.354 -0.260 30 20 DBED CCN(CCNC(=O)c1cn(C)c(=O)n1C)C(=O)[C@@H](C)C#N 1415687906 ZADXLMZHEGNDDX-JTQLQIEISA-N 307.354 -0.538 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)Cn1cc(Cl)cn1 1416757062 JCPALKOXWOEJDA-WCBMZHEXSA-N 313.745 -0.711 30 20 DBED C[C@@H](CNCc1ccc(C#N)s1)NC(=O)Cn1cnnn1 1420403391 XIXJPIKEZZCGQG-VIFPVBQESA-N 305.367 -0.099 30 20 DBED COCCC(=O)NCc1cc(O)nc(CNC(=O)[C@@H](C)C#N)n1 1429170956 BAQUCQHPKLAZBF-VIFPVBQESA-N 321.337 -0.389 30 20 DBED C[C@@H]1CCC(=O)CN1C(=O)CCn1cc(C#N)c(O)nc1=O 1434403828 QIYXGNJEXZURDL-SECBINFHSA-N 304.306 -0.209 30 20 DBED CN(C[C@@H](O)CNCc1cncn1C)C(=O)c1cc(C#N)c[nH]1 1449105604 SJUFRMSXHLCQGT-ZDUSSCGKSA-N 316.365 -0.157 30 20 DBED COC[C@H](OC)C(=O)NC1CN(C(=O)c2c[nH]c(C#N)c2)C1 1456411755 PYVLIISYJRDMPI-LBPRGKRZSA-N 306.322 -0.512 30 20 DBED C#CCNC[C@@H]1CCCCN1C(=O)Cn1ccc(O)nc1=O 1491254656 VQHJTIMNSRXXIO-LBPRGKRZSA-N 304.350 -0.447 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)[C@H]2COC(=O)N2)CCCC1 1499540364 GLNDKRAYVMJDIL-NXEZZACHSA-N 308.338 -0.200 30 20 DBED CC#CCN(C)c1nnnn1CCCN1C(=O)NC(C)(C)C1=O 1527305992 VRQLCNSZDUPBPV-UHFFFAOYSA-N 319.369 -0.147 30 20 DBED CO[C@H]1CN[C@@H](C(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1 1574001771 XVZFMLHOXHSZKH-ZIAGYGMSSA-N 315.377 -0.021 30 20 DBED N#Cc1cccnc1N1CCN(C(=O)[C@@H](O)CC(=O)O)CC1 1574248544 KISZYLZDGALQRM-NSHDSACASA-N 304.306 -0.563 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)CCOCc2cnn[nH]2)C1 1575097609 LXWFGNWYOORIGI-OLZOCXBDSA-N 309.370 -0.551 30 20 DBED CCC1(Cn2cc(C(=O)N3CCNC[C@H]3C#N)nn2)COC1 1577226071 VCOCBVTVYVHFOR-LLVKDONJSA-N 304.354 -0.358 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)CCCc3cnn[nH]3)CO2)C1 1577706285 AXZXAWKJGANNBD-LBPRGKRZSA-N 304.354 -0.390 30 20 DBED N#CCC(=O)N1CCN(C(=O)c2c[nH]nc2[C@H]2CCNC2)CC1 1580044507 CNCYDSYRTYVHEZ-NSHDSACASA-N 316.365 -0.315 30 20 DBED C#C[C@H](CO)NS(=O)(=O)Cc1cccc(-c2nn[nH]n2)c1 1588327526 KUTPOUDIQBHPJX-LLVKDONJSA-N 307.335 -0.720 30 20 DBED C#CCNC(=O)CCN1[C@H]2CC[C@H]1[C@H](C(=O)OC)[C@H]2C(=O)O 1588479300 IPXXHQUQNLNOCC-UKJIMTQDSA-N 308.334 -0.538 30 20 DBED C=CCN1C[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@H](OC)C1 1588656933 CBVMESZUYRBLIC-VXGBXAGGSA-N 317.353 -0.190 30 20 DBED C=CCNCc1cn(C2CN(C(=O)[C@@H]3C[C@H]3C(=O)O)C2)nn1 1588847889 QIBHEQHKWJVRCY-VXGBXAGGSA-N 305.338 -0.342 30 20 DBED CN(C)c1cc(C(=O)NCC#CCO)cc(-c2nn[nH]n2)c1 1591026711 WSYNFVLHRNENMR-UHFFFAOYSA-N 300.322 -0.342 30 20 DBED COc1cc(-c2nn[nH]n2)ccc1C(=O)N1CC(O)(CC#N)C1 1591478790 QATNXBHXVODOQU-UHFFFAOYSA-N 314.305 -0.024 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)NCc2ccc(C(=O)O)cc2)CCO1 1594605438 DOIYJOOHAQSLRK-GFCCVEGCSA-N 317.301 -0.248 30 20 DBED CC[C@@H](C)[C@H](NC(=O)Cn1c(=O)c(C#N)cn(C)c1=O)C(=O)O 1594908811 KOBAACGGHKAUMO-KCJUWKMLSA-N 322.321 -0.966 30 20 DBED COC(=O)[C@H]1[C@H](C(=O)O)[C@H]2CC[C@H]1N2CC(=O)NCCC#N 1598743177 YGIDWHADEGHKNO-CNVPUSNMSA-N 309.322 -0.647 30 20 DBED C[C@H]1CCCCN1C(=O)Cn1c(N)nc(C#N)c1-c1nn[nH]n1 1603896492 VQAZQCGJXPIAJM-QMMMGPOBSA-N 315.341 -0.082 30 20 DBED C[C@@H](NC(=O)CNS(=O)(=O)c1cccc(C#N)c1)C(=O)O 1607421626 SMAPTDURYQCSAQ-MRVPVSSYSA-N 311.319 -0.574 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@@H](NC(=O)Cc2cn(C)nc2C)C1 1752732940 HCKDBSNGJOIRIB-OKILXGFUSA-N 317.393 -0.743 30 20 DBED CC(C)n1ccc(CC(=O)NC[C@H](C)NCC(=O)NCC#N)n1 1752889172 MBHUDZWMXOTRCW-LBPRGKRZSA-N 320.397 -0.259 30 20 DBED CC(C)N1CCCC[C@@H]1C(=O)NCCN(C)CC(=O)NCC#N 1753066966 VVCRDCATCFYBME-CQSZACIVSA-N 323.441 -0.063 30 20 DBED N#CCSCC(=O)NC1CN(C[C@@H]2CCc3ncnn32)C1 1753370435 FTBMKOAQIKQDLL-NSHDSACASA-N 306.395 -0.177 30 20 DBED C#CCNC(=O)CN1CC(NC(=O)CC#Cc2ccccc2)C1 1753395489 LMEDGVZTPBROBV-UHFFFAOYSA-N 309.369 -0.022 30 20 DBED C=CCNC(=O)CNC[C@@H]1[C@@H](C)CCCN1C(=O)c1cnn[nH]1 1753807528 NUYHZXGVBHPXOZ-WCQYABFASA-N 320.397 -0.063 30 20 DBED C#CCNC(=O)[C@@H](C)NCC[C@H](C)NC(=O)c1cnn(C)c1C 1753950694 HDUOABHHDMJWSG-NWDGAFQWSA-N 319.409 -0.036 30 20 DBED C=CCn1cc(C(=O)N[C@H](C)CN[C@@H]2CCCN(C)C2=O)nn1 1754244321 WIQCNEQLSSEOKM-VXGBXAGGSA-N 320.397 -0.207 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCN(C)C(=O)[C@@H]1CCCN1C 1754363476 RFYXHQRSXQFWAD-KGLIPLIRSA-N 308.426 -0.343 30 20 DBED C=CCn1cc(C(=O)N(C)CCCN[C@@H]2CCNC2=O)nn1 1754401767 IOKHJSMDXDOPBN-LLVKDONJSA-N 306.370 -0.596 30 20 DBED CCCc1cc(C(=O)NC[C@@H]2CCN2CC(=O)NCC#N)n[nH]1 1754500104 KICVFWSAIZYWOH-LBPRGKRZSA-N 318.381 -0.194 30 20 DBED CNC(=O)CCCC(=O)N1CC[C@@H](N2CCN(CC#N)CC2)C1 1755016660 DLWZKRQICDQNAZ-CQSZACIVSA-N 321.425 -0.355 30 20 DBED C=CCNC(=O)[C@H](C)N(C)CCCN(C)C(=O)c1nc[nH]n1 1755044631 RLFZEJNWTQCENG-NSHDSACASA-N 308.386 -0.111 30 20 DBED C#CCN[C@@]1(CO)CCCN(C(=O)[C@@H]2CCCCN2C(N)=O)C1 1755090357 KSCPLPWTJNSOGV-BBRMVZONSA-N 322.409 -0.504 30 20 DBED CC#CCNCC1CC(NC(=O)CCn2cc[nH]c(=O)c2=O)C1 1755217699 QJYHCTUUJBGRCV-UHFFFAOYSA-N 318.377 -0.566 30 20 DBED C#CCNC(=O)[C@H](C)NCCC[C@@H](C)NC(=O)c1cnn(C)n1 1755516659 QCWAPNKGMVHZNV-NEPJUHHUSA-N 320.397 -0.559 30 20 DBED C#CCOCCC(=O)N(C)C[C@H](C)N[C@@H](C)C(=O)NC(N)=O 1755587039 VBKZBGPRCYERGV-QWRGUYRKSA-N 312.370 -0.954 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)COCC(F)F)[C@H]1C 1755657331 BUJSTUQUEAJGTQ-WDEREUQCSA-N 317.336 -0.404 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCCN(Cc2nnnn2C)[C@@H]1C 1755719419 YVDXUZKELYOWAE-CHWSQXEVSA-N 320.397 -0.281 30 20 DBED CCN(C)CCC(=O)N1C[C@H](NCC(=O)NCC#N)C(C)(C)C1 1755762758 KACJPKDFNPLADD-ZDUSSCGKSA-N 323.441 -0.205 30 20 DBED COCC#CCNC[C@@H](O)CN(C)C(=O)c1n[nH]c2c1CCC2 1755793379 PJAKWQWYWFEBOW-GFCCVEGCSA-N 320.393 -0.429 30 20 DBED C[C@H](C#N)C(=O)NCCOCCN(C)C(=O)[C@@H]1CC(=O)N(C)C1 1756381301 CUAPOAWVTDOZSL-VXGBXAGGSA-N 324.381 -0.784 30 20 DBED C=CCCC(=O)N[C@H](C)CN(C)C(=O)Cn1nc(C)n(C)c1=O 1756484810 NAJAHNTZBOLTOP-LLVKDONJSA-N 323.397 -0.180 30 20 DBED C#CCCCC(=O)N[C@H](CO)CNC(=O)c1ncccc1O 1756513531 JNQIAAZIMXQNAO-NSHDSACASA-N 305.334 -0.202 30 20 DBED C=C1CC(C)(C(=O)NC[C@@H](CO)NC(=O)c2nnn(C)c2C)C1 1756548409 LVTIEPXPWBEBJZ-NSHDSACASA-N 321.381 -0.313 30 20 DBED C=CCOCC(=O)N(C)C[C@H](O)CNC(=O)c1cc(C)on1 1756654899 AXDQJPHLEGNAGL-LLVKDONJSA-N 311.338 -0.265 30 20 DBED C=CC(C)(C)C(=O)NC[C@@H](O)CN(C)C(=O)[C@@H]1CCC(=O)N1 1756672422 WJDBREBPUHKCIC-MNOVXSKESA-N 311.382 -0.587 30 20 DBED CC(C)N(CCN(C)C(=O)C(N)=O)C(=O)c1cc(C#N)c[nH]1 1756692737 FBBQGWSFQISJAW-UHFFFAOYSA-N 305.338 -0.319 30 20 DBED C=C(C)CCC(=O)N[C@@H]1CN(C(=O)C[C@@H]2CCNC2=O)C[C@@H]1O 1757179494 VEYYMONTDXWTDZ-XQQFMLRXSA-N 323.393 -0.443 30 20 DBED CC(C)(C)n1nnc(CC(=O)NCCn2cnc(C#N)n2)n1 1771813482 UAGZEGLLFVCURS-UHFFFAOYSA-N 303.330 -0.750 30 20 DBED C[C@@H](NC=O)C(=O)N1CC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1781246124 XZNSPFNZAZRJCD-IUODEOHRSA-N 322.365 -0.745 30 20 DBED C=CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(N)=O)C[C@@H]21 1791277897 BQVCWRICPRXTLZ-AVGNSLFASA-N 323.393 -0.192 30 20 DBED Cc1oncc1C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846195287 YGFYNSZHNJKSEW-UHFFFAOYSA-N 317.301 -0.112 30 20 DBED CN1CCO[C@@H](C(=O)N2CCN(c3ncccc3C#N)CC2)C1 81236634 RGIWKWGLKVPLMZ-CQSZACIVSA-N 315.377 -0.068 30 20 DBED C#CCN1CCN(C(=O)[C@@H]2CCCCN2S(C)(=O)=O)CC1 128422913 ISIXAJQWQHAPGL-ZDUSSCGKSA-N 313.423 -0.422 30 20 DBED Cc1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)c(C#N)c1C 131135195 WLUMHGLUASEWCS-SNVBAGLBSA-N 300.322 -0.888 30 20 DBED CS(=O)(=O)N1CCCC[C@@H]1C(=O)N1CCN(CC#N)CC1 152714765 FGMIFQZRSFYHSO-GFCCVEGCSA-N 314.411 -0.532 30 20 DBED C#CCN1CCC(C(=O)N(C)C[C@H](O)CN2CCOCC2)CC1 176557485 FCMKMNJNTLHIRG-INIZCTEOSA-N 323.437 -0.517 30 20 DBED N/C(=N\C[C@@]1(N2CCOCC2)CCSC1)N1CCOCC1 261992790 MSOQHTYLCHLECH-AWEZNQCLSA-N 314.455 -0.159 30 20 DBED CC[C@H](C#N)NC(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 266324957 XFVHDGNOMDDTOX-AIPRNEOBSA-N 305.334 -0.043 30 20 DBED N#C[C@@H]1COCCN1C(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 267161613 KJMMUCRBSWZMOS-APLVYKGISA-N 315.329 -0.456 30 20 DBED C#C[C@@H](C)NC(=O)C(=O)Nc1cc(S(=O)(=O)NC)ccc1C 276050102 TYGNGRFZYDVLCY-SNVBAGLBSA-N 323.374 -0.020 30 20 DBED C#CCOc1ccccc1NC(=O)C(=O)N1C[C@@H](O)[C@H](O)C1 277588912 SFUWKQOGDCTKCN-VXGBXAGGSA-N 304.302 -0.799 30 20 DBED C=CCOCCCC(=O)N1CCN(S(=O)(=O)NC)CC1 282941754 PRKPMLORFUEHLD-UHFFFAOYSA-N 305.400 -0.422 30 20 DBED N#C[C@H]1CN(C(=O)CNS(=O)(=O)c2cccnc2)CCO1 290257017 NTHLCWYXSQGYCQ-JTQLQIEISA-N 310.335 -0.889 30 20 DBED C[C@@H]1C(O)=NCCN1/C(O)=N/[C@@H]1CCCN(S(C)(=O)=O)C1 329165837 HPKHMIDGQFYGLS-NXEZZACHSA-N 318.399 -0.015 30 20 DBED CN1CC[C@@H](N(C)/C(O)=N/CCC(=O)N2CCOCC2)C1=O 329482115 RKZFVFXENDPBKS-LLVKDONJSA-N 312.370 -0.688 30 20 DBED N#CCN1CCN(C(=O)CCN2CCCS2(=O)=O)CC1 329753365 WSYNPMOAHMCRGI-UHFFFAOYSA-N 300.384 -0.920 30 20 DBED CS(=O)(=O)N1CC[C@H](C/N=C(/O)N[C@@H]2[C@H]3COC[C@H]32)C1 329940979 BXLQOTVGBJMVBB-ZNSHCXBVSA-N 303.384 -0.584 30 20 DBED N#CCCN(CCN1CCOCC1)S(=O)(=O)C1COC1 330223076 SDRZXAKXZPAOEC-UHFFFAOYSA-N 303.384 -0.737 30 20 DBED Cc1noc(C)c1CNS(=O)(=O)N1CCO[C@@H](C#N)C1 336919733 PLANOGYVKALTME-JTQLQIEISA-N 300.340 -0.150 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1CC[C@@H](O)[C@H](C)C1 337192206 TWTNCYIYJVPKRU-VXGBXAGGSA-N 305.400 -0.204 30 20 DBED C=CCCO[C@H](C)C(=O)N1CCN(CCS(N)(=O)=O)CC1 342754688 BANCWMXSZHJKHJ-GFCCVEGCSA-N 319.427 -0.600 30 20 DBED C[C@H](C#N)C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 347110268 QVKVBIXLSKMLMZ-MNOVXSKESA-N 303.384 -0.249 30 20 DBED COc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1CCN(C)C1=O 350742050 SXPFFNYGDPPMFP-JTQLQIEISA-N 316.317 -0.148 30 20 DBED C=CCNC(=O)NC(=O)CN(CC)[C@@H](C)CS(C)(=O)=O 353267542 VAPBWKMLZSUVDP-JTQLQIEISA-N 305.400 -0.247 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCCc2ccco2)C1=O 354131736 LSWBQGZIFGXYEA-UHFFFAOYSA-N 305.290 -0.085 30 20 DBED CNS(=O)(=O)C[C@H]1CCCN1CCC(=O)N(C)CCC#N 357020164 NRGSKJSYNJHRQR-GFCCVEGCSA-N 316.427 -0.238 30 20 DBED Cc1nc(S(=O)(=O)NCC(=O)N2CC(C)(C#N)C2)cn1C 361208196 HCTBQEPFNYLBES-UHFFFAOYSA-N 311.367 -0.621 30 20 DBED C=CCN(CC(=O)O)C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 400110456 FNFXUVPUJVIDQD-SNVBAGLBSA-N 319.383 -0.307 30 20 DBED N#Cc1ccc(OCCNC(=O)C(=O)N2CCCNCC2)cc1 419471273 ZGLXTBSWQDGCCD-UHFFFAOYSA-N 316.361 -0.125 30 20 DBED C=CCCOCCNC(=O)C(=O)NCc1nccc(OC)n1 425884590 GQMBETVECLCRGI-UHFFFAOYSA-N 308.338 -0.190 30 20 DBED Cn1cc(C#N)c(=O)n(Cc2nnn(CC(F)(F)F)n2)c1=O 440573263 FWHGRXAAFNXLND-UHFFFAOYSA-N 315.215 -0.984 30 20 DBED COC(=O)CN(CC#N)C(=O)c1cc(S(N)(=O)=O)c(C)o1 447429825 BZOQDGPSQSBBPF-UHFFFAOYSA-N 315.307 -0.626 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)CCc2ccn(C)n2)CC1 491209634 JQCXXGJFUDGKSW-UHFFFAOYSA-N 317.393 -0.754 30 20 DBED COCCNC(=O)CN1CCN(c2cncc(C#N)n2)CC1 516458699 GCGXIYWRAMURTP-UHFFFAOYSA-N 304.354 -0.767 30 20 DBED C[C@@](CNS(=O)(=O)c1ccc(C#N)o1)(CC(=O)O)C(=O)O 548768178 SYUDZJYWIZNYMA-NSHDSACASA-N 316.291 -0.005 30 20 DBED CCN(CCC#N)C(=O)CN1[C@H]2C[C@H]3[C@H]([C@@H]2O)[C@@H]2C[C@H]3[C@@H](O)[C@H]21 581432970 RAAIAGMXMIGHNB-ORCMLXAYSA-N 319.405 -0.191 30 20 DBED CC1(C)C[C@@H](O)CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)C1 581499987 ZRFCEDWUOVXKQE-NWDGAFQWSA-N 317.411 -0.062 30 20 DBED CS(=O)(=O)N1CCC[C@@H](NC(=O)[C@@H](N)CCCCC#N)C1 594431066 GWPZSPKMOGUTMQ-NEPJUHHUSA-N 316.427 -0.062 30 20 DBED C=C(C)CN(CC)C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 595989645 SNTXBXBMNCUORN-NWDGAFQWSA-N 308.382 -0.819 30 20 DBED CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)N(C)CC(C)(C)C#N 596747828 KALPWHIOTUFPTG-NXEZZACHSA-N 303.384 -0.010 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)NCCN2CC[C@@H](O)C2)cc1 600532091 GRBNQFXEWHNWNV-CQSZACIVSA-N 316.361 -0.529 30 20 DBED COC(=O)[C@H](C)CS(=O)(=O)N1CCN(CCC#N)CC1 601536778 SRUYWIYMLNYSAU-LLVKDONJSA-N 303.384 -0.343 30 20 DBED CCOC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(C#N)cc1F 612631996 YPYLNRAOFZTBHJ-SNVBAGLBSA-N 316.310 -0.100 30 20 DBED C=CCn1cc(CNC(=O)[C@H](CCC)S(N)(=O)=O)nn1 616411285 WAJDKSUSDGSEDB-JTQLQIEISA-N 301.372 -0.463 30 20 DBED CCOC[C@@H](C(=O)OC)N(C)S(=O)(=O)N(C)C[C@H](C)C#N 619712349 HAOUMIYMTHGLBF-MNOVXSKESA-N 321.399 -0.167 30 20 DBED CS(=O)(=O)N1CCC(C(=O)N2CCO[C@@H](C#N)C2)CC1 701336674 LNVHKRKQBJYVKN-NSHDSACASA-N 301.368 -0.591 30 20 DBED CC(C)(CNS(C)(=O)=O)NC(=O)[C@@H](N)CCCCC#N 708274737 OFYLIVAEFDKAIX-JTQLQIEISA-N 304.416 -0.158 30 20 DBED N#CCOc1ccccc1C(=O)NCCN1C(=O)CNC1=O 733270903 OWJFSROFTLVACA-UHFFFAOYSA-N 302.290 -0.129 30 20 DBED CS(=O)(=O)NC[C@H]1CCCN(Cn2cccc(C#N)c2=O)C1 750607891 ITLQQJAMUBBDKH-GFCCVEGCSA-N 324.406 -0.061 30 20 DBED C#CCNS(=O)(=O)N1CCN([C@@H](CC)C(=O)OC)CC1 761027847 AQLUEGDWWSDNOS-NSHDSACASA-N 303.384 -0.977 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@@H](C)Cn1cccn1)[C@H]1CCCO1 774146229 JEXOOLGFZXRMNH-RWMBFGLXSA-N 304.350 -0.315 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCNC(=O)C[C@@H]1C)[C@H]1CCCO1 809309744 RBNFKZJJMFTJNT-SDDRHHMPSA-N 307.350 -0.980 30 20 DBED COC(=O)CC[C@@]1(C)NC(=O)N(CN2CCOC[C@@H]2C#N)C1=O 811751212 JGJBFHQPIMTMOM-IINYFYTJSA-N 324.337 -0.568 30 20 DBED C=C(C)COCCNc1c(-c2nn[nH]n2)c(=O)n(C)c(=O)n1C 819723108 YYYSDHVKXNGOJG-UHFFFAOYSA-N 321.341 -0.731 30 20 DBED O=C(N[C@H]1CCCN(O)C1=O)c1cn(Cc2ccccn2)nn1 820481927 BEZMWBGOQOOYDC-NSHDSACASA-N 316.321 -0.169 30 20 DBED C[C@@H](CC(=O)NCCN)/N=C1/NS(=O)(=O)c2ccccc21 832205299 ZKPHOSVKNMSQEU-VIFPVBQESA-N 310.379 -0.421 30 20 DBED C#CCNC(=O)CS[C@H](C)C(=O)NCC(=O)OC(C)C 840210561 BUWQWZKUIHHKTF-SNVBAGLBSA-N 300.380 -0.075 30 20 DBED C[C@H]1CNCCN1C(=O)C(=O)NCCNc1ncccc1C#N 842174270 CXZXBFQVRGTYAG-NSHDSACASA-N 316.365 -0.698 30 20 DBED C=C[C@@H](C)ONC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 846551381 SFEDGJRVMPQAAV-OLZOCXBDSA-N 311.382 -0.211 30 20 DBED C#CCC[C@H](O)CNC(=O)c1nc(S(C)(=O)=O)ncc1C 847160228 LHAPBKDPFLNVOG-JTQLQIEISA-N 311.363 -0.307 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CC[C@@H](C)C[C@H]1CN)[C@@H]1CCCO1 851686042 YSCLIXDRDOZCSJ-RFGFWPKPSA-N 307.394 -0.131 30 20 DBED C#CC[C@H](NC(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1)C(=O)OC 861950195 BUNTXEGKGVOZEA-PWSUYJOCSA-N 318.333 -0.546 30 20 DBED C#CC[C@@H](CCOC)NC(=O)c1cc(S(N)(=O)=O)cn1C 863791410 DPZRKBAGXYBONI-JTQLQIEISA-N 313.379 -0.169 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)NCCc1cnc(C)cn1 875402910 JJNRVZIOJJNTFT-CYBMUJFWSA-N 318.377 -0.012 30 20 DBED C#CCOCCNC(=O)NCCS(=O)(=O)N1CCCC1 894155044 VVQVDZBYIIJUQM-UHFFFAOYSA-N 303.384 -0.639 30 20 DBED CS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1nc(C#N)c(C#N)[nH]1 914532772 WYWJLSNLNDITDC-SECBINFHSA-N 308.323 -0.484 30 20 DBED COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)NCC#CCO)C1 923781835 CZKWGYXLBVKXPJ-CHWSQXEVSA-N 311.382 -0.445 30 20 DBED N#C[C@@H]1CCCN(C(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)C1 928221029 NGXCNQJAXXFRSD-GGRQXOBESA-N 317.345 -0.089 30 20 DBED CC[C@H](C(N)=O)N1CC(N2CCN(C(=O)[C@@H](C)C#N)CC2)C1 941348598 PTMQKZAKLMQWMS-WCQYABFASA-N 307.398 -0.762 30 20 DBED C#CCN1CCC(C(=O)N[C@@H]2CCN(CC(N)=O)[C@H](C)C2)CC1 948069299 FNJGKBLDIKGLDP-UKRRQHHQSA-N 320.437 -0.214 30 20 DBED C=CCN1CCC[C@@H](N(C)C(=O)CN2CCNC(=O)C2)CC1 948670854 ZNPCEWGBHOOSHE-CQSZACIVSA-N 308.426 -0.083 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@@H]3CCN(C(=O)C(N)=O)[C@@H]3C2)c1 953313340 JMPMPSGBKPXSER-ZYHUDNBSSA-N 315.333 -0.565 30 20 DBED C[C@H](C#N)C(=O)N1CC(N(C)C(=O)c2nc3ncccn3n2)C1 955087833 YPJLZCKRELAWPX-SECBINFHSA-N 313.321 -0.433 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@]2(CCCCN(C(=O)C(N)=O)C2)C1 956561483 USUHNJFRCXKUDN-IAQYHMDHSA-N 306.366 -0.137 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](CNC(=O)c2nccnc2N)C1 957940621 UJUGGECEMUHYPT-ZJUUUORDSA-N 311.773 -0.166 30 20 DBED CC#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cnn(CCF)c2)C1 958199465 IVXLCMCMENBBQT-GXTWGEPZSA-N 308.357 -0.102 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2ccnc3[nH]c(C)nc23)C1 958271854 JFFFTWIKNKUABK-WCQYABFASA-N 313.361 -0.078 30 20 DBED CC#CCN1C[C@@H](O)[C@@H](CNC(=O)c2c(C)ncnc2O)C1 958345486 NWCRZSOBQPEPOB-NWDGAFQWSA-N 304.350 -0.464 30 20 DBED Cn1cnc2c(C(=O)NC[C@H]3CN(CC#N)C[C@@H]3O)ccnc21 958399631 NGHWAODDSAXXRN-JQWIXIFHSA-N 314.349 -0.486 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cn(CCC(C)C)nn2)C1 958403279 CGWYLRPRMFDYFO-DZGCQCFKSA-N 319.409 -0.020 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](CNC(=O)c2cccnc2C(N)=O)C1 958718201 SWLUWBBVTVAGMR-YPMHNXCESA-N 318.377 -0.221 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CN(C(=O)c3cn(C)nn3)C[C@H]2C1 961501406 PDHWRJDUACZQQY-MXWKQRLJSA-N 302.338 -0.495 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CN(C(=O)[C@H]3CN(C)C(=O)N3)C[C@H]2C1 962052214 HCNFCUHTYTVQOX-NNYUYHANSA-N 319.365 -0.914 30 20 DBED C#CCN1CCC(C(=O)NC2[C@@H]3CN(CCCO)C[C@@H]23)CC1 962772432 INPQFUXZZPQAEF-HUUCEWRRSA-N 305.422 -0.240 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCNC3=O)C[C@@H]2O)C1 970400303 GNHLAKHRQBDLTI-TUAOUCFPSA-N 321.377 -0.833 30 20 DBED C=CCn1cc(C(=O)N2C[C@H]3CC[C@H]2CN3[C@@H](C)C(N)=O)nn1 971899196 FMXVFWHXWHHBOU-TUAOUCFPSA-N 318.381 -0.373 30 20 DBED CC#CCN1CCO[C@@]2(CCN(C(=O)[C@H]3CCC(=O)NC3)C2)C1 972443106 DTCJLCLMDGTXRA-YOEHRIQHSA-N 319.405 -0.161 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)C[C@H]3CCCC(=O)N3)C2)C1 972458494 KPFQLYCDBLEVPD-PBHICJAKSA-N 319.405 -0.018 30 20 DBED CN(CC#N)[C@H]1CCN(C(=O)c2cnn3c(=O)cc[nH]c23)C1 972495078 JOGWPBKDTYMEBS-JTQLQIEISA-N 300.322 -0.308 30 20 DBED O=C(C#CC1CC1)N1CC[C@@H]2CN(C(=O)Cn3cncn3)[C@@H]2C1 975277749 OZJPEJZRXOGOCB-ZIAGYGMSSA-N 313.361 -0.249 30 20 DBED CC1(C)NC(=O)N(CC(=O)N[C@@H]2CN(CC#N)CC2(C)C)C1=O 977583869 GWVQMEZIXKPAQK-SNVBAGLBSA-N 321.381 -0.333 30 20 DBED C#CCN1C[C@H]2[C@H](CNC(=O)c3cnc4n3CCOC4)[C@H]2C1 978302878 LAJYAJLLBFOBFC-XYYAHUGASA-N 300.362 -0.046 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC(NC(=O)CN3CCCC3=O)C2)c1 990189116 ZNUCFPNYMXWDDU-UHFFFAOYSA-N 315.333 -0.551 30 20 DBED C=CCN1CC[C@]2(NC(=O)[C@@H]3CCS(=O)(=O)N3)CCC[C@@H]12 992501326 QSPFETAWTUUGGQ-OUCADQQQSA-N 313.423 -0.023 30 20 DBED C[C@H](C#N)C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1nnn(C)n1 999407223 BJMHYFCOHMFEPN-IMSYWVGJSA-N 303.326 -0.769 30 20 DBED CO[C@H]1C[C@H](C(=O)N2CCC[C@@H](NCC#N)C2)N(C(C)=O)C1 999797448 HGCKKQQDABTEMH-HZSPNIEDSA-N 308.382 -0.274 30 20 DBED N#CCN1CCC[C@H]1C1CCN(C(=O)Cn2ncnn2)CC1 1004426598 CIHIEAVOBDGZHI-ZDUSSCGKSA-N 303.370 -0.100 30 20 DBED C[C@@H]1CCN(C(=O)CC(N)=O)C[C@@H]1NC(=O)c1c[nH]c(C#N)c1 1004720823 ALLZDHAIAHLSIB-SKDRFNHKSA-N 317.349 -0.271 30 20 DBED C[C@H](C#N)C(=O)N1CC([C@@H](C)NC(=O)c2ccc(O)nn2)C1 1005643497 VCCUVOCRJIMHON-RKDXNWHRSA-N 303.322 -0.081 30 20 DBED C[C@H]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)CN1C(=O)CC(N)=O 1012408166 OBMANQZBESQAHE-WCBMZHEXSA-N 303.322 -0.519 30 20 DBED C=CCn1cccc1C(=O)N1C[C@H](NC(=O)C(N)=O)C[C@@H]1C 1012920642 BLFKGLYAVHQJIH-WDEREUQCSA-N 304.350 -0.121 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1[C@@H]2CN(C(=O)CC(N)=O)C[C@@H]12 1013173510 BXRXCIKNMTXJPF-SQYUCLKFSA-N 321.377 -0.584 30 20 DBED C=C(Br)CN[C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 1019307519 IZGOYWCMSMENQN-IUCAKERBSA-N 317.187 -0.233 30 20 DBED C[C@@H](C#N)C(=O)N1CCCO[C@H](CNC(=O)c2cnon2)C1 1019655173 IGINQUUPOZAQST-VHSXEESVSA-N 307.310 -0.423 30 20 DBED CC(=O)N1CC(C(=O)N2C[C@@H]3CCN(C(=O)[C@H](C)C#N)[C@@H]3C2)C1 1022564669 NNAIJYITLGGNGL-SCDSUCTJSA-N 318.377 -0.316 30 20 DBED CCc1cc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2O)nn1C 1024435850 KFZWHESEILRFKK-OASPWFOLSA-N 319.365 -0.556 30 20 DBED N#Cc1c[nH]c(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cnco3)C2)c1 1024846829 HJRSEWAWWXASBJ-GHMZBOCLSA-N 315.289 -0.510 30 20 DBED N#CCN[C@@H]1CC[C@H]2CN(C(=O)CC3CS(=O)(=O)C3)C[C@H]21 1026298473 QFGJPDNULMHIHA-YNEHKIRRSA-N 311.407 -0.229 30 20 DBED N#CCN1CCC[C@H]1CNC(=O)c1cn([C@H]2CCOC2)nn1 1028250940 OKDIRGXDNASRRV-RYUDHWBXSA-N 304.354 -0.043 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)[C@@H]3CC(=O)N(C)C3)C2)C1=O 1030391221 WBIDRIKBZUOAKW-YPMHNXCESA-N 320.393 -0.948 30 20 DBED C#CCN[C@H]1CC[C@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)CC1 1034770517 HPIHOENHQIHSMG-HAQNSBGRSA-N 320.393 -0.033 30 20 DBED CC(=O)N1CCO[C@@H](C(=O)N[C@H]2CC[C@H](NCC#N)CC2)C1 1034784692 CAFGCCIJBFVDJD-MGPQQGTHSA-N 308.382 -0.226 30 20 DBED C=CCN1CCO[C@H](CNC(=O)[C@H]2CCc3nncn3C2)C1 1035609882 SKYDTHHPUXLZLK-QWHCGFSZSA-N 305.382 -0.157 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCN1Cc1nnnn1C 1038807976 NTGAGFTXXXMIRJ-DYEKYZERSA-N 320.397 -0.118 30 20 DBED C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1nccnc1C(N)=O 1039467325 DUDDRDMEXAZBMY-NEPJUHHUSA-N 313.361 -0.112 30 20 DBED CCN(CC)CC(=O)NC[C@@]1(O)CCN(C(=O)[C@H](C)C#N)C1 1039784252 CJSRBYUMZRZILZ-DOMZBBRYSA-N 310.398 -0.433 30 20 DBED C=C(C)CCC(=O)NC[C@]1(O)CCN(C(=O)Cn2nccn2)C1 1039987810 YKHKCJKQMQJYHH-OAHLLOKOSA-N 321.381 -0.286 30 20 DBED C#CCN1CCC[C@@]2(CCN(C(=O)[C@H]3CN(C)C(=O)N3)C2)C1 1040328001 IZGMSSSTIJBYGB-CZUORRHYSA-N 304.394 -0.042 30 20 DBED C[C@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)Cc2cncs2)C1 1040760587 OTESHRVZHUEECG-YGRLFVJLSA-N 322.390 -0.075 30 20 DBED Cc1ncoc1C(=O)N1CC[C@](O)(CNC(=O)[C@@H](C)C#N)C1 1040763183 NWOVLNJEILYZNV-XPTSAGLGSA-N 306.322 -0.164 30 20 DBED C[C@@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)C2=CCOCC2)C1 1040763778 RKGSTOORBIYBJI-XHDPSFHLSA-N 307.350 -0.428 30 20 DBED Cn1nccc1C(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@H]1O 1040942508 ARTBADMKIZNACW-BXUZGUMPSA-N 312.333 -0.334 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(O)(CNC(=O)[C@@H](C)OC)C1 1041759085 OPNKTTAXKGWLCI-ZWNOBZJWSA-N 300.355 -0.962 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)[C@H]2CCNC(=O)CC2)C1 1041970163 WRALLYZICSNAIZ-GFCCVEGCSA-N 323.393 -0.442 30 20 DBED CC#CCN1CC[C@H]2CCN(C(=O)C3CC(=O)NC(=O)C3)C[C@@H]21 1042267366 XCCDKQARNPSYKI-JSGCOSHPSA-N 317.389 -0.015 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)CC2(O)CCC2)C1 1043040334 QXNXDKHZADXBDJ-GFCCVEGCSA-N 324.377 -0.981 30 20 DBED Cc1nc(N2C[C@H](O)[C@H](NC(=O)[C@H]3CCOC3)C2)ccc1C#N 1043866236 GJIAULQGGXFJDF-MJBXVCDLSA-N 316.361 -0.036 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)[C@]2(C)CNC(=O)C2)C1 1043943806 HZDKYLQVZVDJJX-HNNXBMFYSA-N 323.393 -0.586 30 20 DBED C=C1CC(C)(C(=O)N2CC(O)(CNC(=O)c3cnon3)C2)C1 1045193092 QDLJRUJQHIHBDL-UHFFFAOYSA-N 306.322 -0.271 30 20 DBED C=C[C@@](C)(CC)C(=O)N1CC(O)(CNC(=O)C2(C(N)=O)CC2)C1 1045490610 PZLULULBBZXWFZ-AWEZNQCLSA-N 323.393 -0.456 30 20 DBED N#CCN1CC[C@H](N2CCN(C(=O)Cn3cccn3)CC2)C1 1046005101 LBSDTUBESJHSAM-AWEZNQCLSA-N 302.382 -0.375 30 20 DBED CC#CCN1CC[C@H](N2CCN(C(=O)c3cn(C)nn3)CC2)C1 1046026534 ZBQZHBRWBTVXSY-AWEZNQCLSA-N 316.409 -0.330 30 20 DBED CC#CCN1CC[C@@](C)(NC(=O)[C@@H]2CN(C(C)=O)CCO2)C1 1046814550 KDMSMDFYFORYPK-GOEBONIOSA-N 307.394 -0.162 30 20 DBED CCc1nnc(C)cc1C(=O)N(C)[C@H]1CN(CC#N)C[C@@H]1O 1047435349 JSAYEQYFIOMTKJ-KBPBESRZSA-N 303.366 -0.012 30 20 DBED C=CCCC(=O)N(C)[C@H]1CN(C(=O)C[C@H]2CCNC2=O)C[C@@H]1O 1048528320 ZQFPYTXQNBRRAD-AGIUHOORSA-N 323.393 -0.491 30 20 DBED C=C(C)CCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cnnn2C)C1 1048769430 JLRQPUGNUIQFAH-STQMWFEESA-N 321.381 -0.185 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCCF)C1 1049212612 MVKGQZGGQFOORI-RYUDHWBXSA-N 302.346 -0.031 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H]2[C@@H]1CCN2Cc1nc(=O)n(C)[nH]1 1049381716 LMLFMEIGGRAVMQ-UTUOFQBUSA-N 318.381 -0.167 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)Cc2cscn2)C[C@@H]1O 1049402084 OHSQQAGDIMXGFK-DLOVCJGASA-N 322.390 -0.125 30 20 DBED Cc1ncc(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)C#N)C2)n1C 1049407502 HERNVOBNORRNML-ICCXJUOJSA-N 319.365 -0.468 30 20 DBED C=CCOCC(=O)N1CC[C@H]([C@@H](C)NC(=O)Cn2ncnn2)C1 1050298579 WJRHELOZDQYIAL-NEPJUHHUSA-N 322.369 -0.771 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H]([C@H](C)NC(=O)COCC)C1 1050489313 BFAZGALUGSDUCK-STQMWFEESA-N 323.393 -0.484 30 20 DBED C#CCCN1CCOC[C@H]1CNC(=O)c1cn(CCOC)nn1 1050910641 KDFRMVPKEFNHAN-CYBMUJFWSA-N 321.381 -0.622 30 20 DBED CC#CCN1CCOC[C@@H]1CNC(=O)[C@@H]1CCCN(C(N)=O)C1 1051011109 GYQKVDVYLGLQQG-KGLIPLIRSA-N 322.409 -0.383 30 20 DBED CC#CCN1CCC[C@H](NC(=O)c2cn(CC(N)=O)nn2)CC1 1052959466 VORCIKLNZSTYRD-LBPRGKRZSA-N 318.381 -0.629 30 20 DBED C#CCN1CC2(CC[C@H](CNC(=O)[C@H]3CC(=O)N(CC)C3)O2)C1 1053607148 RGCYOULTPYIFEX-UONOGXRCSA-N 319.405 -0.162 30 20 DBED C=CCN1CC2(C[C@@H](NC(=O)[C@H](C)N3C(=O)CCC3=O)CO2)C1 1053820865 NSBGBSUQNMTJNQ-NWDGAFQWSA-N 321.377 -0.331 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)[C@H]3CCCCC(=O)N3)CO2)C1 1053922013 TUGIMHDJECGZDM-QWHCGFSZSA-N 305.378 -0.362 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)[C@@H]3CCCS3(=O)=O)CO2)C1 1054012535 FNNISFBWLLGOTE-MNOVXSKESA-N 313.379 -0.953 30 20 DBED N#Cc1nccc(N2C[C@@H]3CCC[C@]3(NC(=O)C(N)=O)C2)n1 1055573738 VSROOXLIHSRDJB-XPTSAGLGSA-N 300.322 -0.691 30 20 DBED C[C@@H](C#N)C(=O)N[C@@]1(CO)CCCN(C(=O)c2csnn2)C1 1056095462 BSSPQGMDHFPWOH-ZANVPECISA-N 323.378 -0.219 30 20 DBED N#Cc1ccc(N2C[C@H]3C(NC(=O)[C@@H]4CCNC4=O)[C@@H]3C2)nc1 1056356101 RQRXYZWVXQJWBA-IJLUTSLNSA-N 311.345 -0.360 30 20 DBED Cn1cc(C(=O)N2CC[C@@H](N=c3cc[nH]c(C#N)n3)C2)ccc1=O 1056821854 UBGDGZCOZAGWEY-GFCCVEGCSA-N 324.344 -0.205 30 20 DBED C#CCNC(=O)CC(=O)N(CCO)CCNC(=O)C1CC=CC1 1057390883 UAXHRZFSTYBBTE-UHFFFAOYSA-N 321.377 -0.971 30 20 DBED CCn1ccc(C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N)n1 1057570319 NIPSUCOUXYOGDP-NSHDSACASA-N 307.354 -0.387 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)[C@H](C)CC(N)=O 1058292404 YWMCMNCNOSHQBI-GFCCVEGCSA-N 311.382 -0.762 30 20 DBED C=CC(C)(C)C(=O)NCCN(CCO)C(=O)[C@@H]1CCNC1=O 1058296677 OOJXWZDFCALQCL-LLVKDONJSA-N 311.382 -0.728 30 20 DBED N#Cc1cnc(N2CC[C@@H](NC(=O)C[C@H]3CCNC3=O)C2)cn1 1058465290 OVBXLUBSXLUIRA-GHMZBOCLSA-N 314.349 -0.431 30 20 DBED N#Cc1nccc(N2CC[C@H](NC(=O)[C@H]3CCNC3=O)C2)n1 1058507243 BIXQSDBRKWILTC-UWVGGRQHSA-N 300.322 -0.821 30 20 DBED N#Cc1nccnc1N[C@H]1C[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 1059413519 KMPFRJKSEIRNOH-KYXWUPHJSA-N 300.322 -0.471 30 20 DBED N#Cc1cncc(N[C@H]2C[C@@H](NC(=O)[C@@H]3CCNC(=O)C3)C2)n1 1059597263 VARBXSTZLNPUFK-MXWKQRLJSA-N 314.349 -0.066 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCOC[C@H]1CNC(=O)COC 1061195153 GGKSVLDXUOXXSY-RISCZKNCSA-N 300.355 -0.697 30 20 DBED C=CCOCC(=O)N1CCOC[C@@H]1CNC(=O)c1ncc[nH]1 1061558452 QUGBTGOCAXGFMJ-NSHDSACASA-N 308.338 -0.431 30 20 DBED N#Cc1ccc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)Cn2cnnn2)nc1 1064221087 OHYIBNWWBJQHRE-UHIISALHSA-N 310.321 -0.667 30 20 DBED N#Cc1nccnc1N1CC[C@@H]2CCN(C(=O)C(N)=O)C[C@H]21 1064699662 YVORXCJRIYTQJB-GXSJLCMTSA-N 300.322 -0.739 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CN(C(=O)CCCC(N)=O)CCO1 1065305696 RZSVKMPHMXMDHB-WDEREUQCSA-N 310.354 -0.855 30 20 DBED Cc1cc(=NCC[C@H]2CCN(C(=O)C(N)=O)C2)c(C#N)c[nH]1 1066372821 XCHCRYSLACKWOH-NSHDSACASA-N 301.350 -0.181 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CCCN(C(=O)Cn2cnnn2)C1 1070411887 BTYVOUCIYFZQRJ-NWDGAFQWSA-N 322.369 -0.629 30 20 DBED Cn1cnc([C@@H]2CN(C(=O)c3cccnn3)C[C@H]2NCC#N)c1 1070549286 VFZPCZJWXAXKMM-SMDDNHRTSA-N 311.349 -0.069 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)c4cn(C)cn4)C[C@@]3(C1)O2 1070786184 COXRUSPCBLVFOH-WOSRLPQWSA-N 300.362 -0.031 30 20 DBED N#CCN1CCNC(=O)CCN(C(=O)c2csnn2)CC1 1070982709 IQJNGWRAUBPHTO-UHFFFAOYSA-N 308.367 -0.674 30 20 DBED N#CCN1CCNC(=O)CCN(C(=O)c2nccs2)CC1 1071010763 XBEYMSQGRJLSNF-UHFFFAOYSA-N 307.379 -0.069 30 20 DBED N#CCN1CCNC(=O)CCN(C(=O)C23CCN(CC2)C3)CC1 1071015854 XBMBTCSICGIIAO-UHFFFAOYSA-N 319.409 -0.744 30 20 DBED C=C(C)CN1CCN([C@H]2CCCN(C(=O)C(N)=O)C2)C(=O)C1 1071270958 QWMHLOSHQFZSKC-LBPRGKRZSA-N 308.382 -0.817 30 20 DBED C#CCN1C[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)CC[C@@H]1C 1071862008 ULCZQAKUHGIBHT-NWDGAFQWSA-N 318.377 -0.700 30 20 DBED CNC(=O)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)CSCC#N)C1 1071963290 OMLIXRWCDPEEMA-ZJUUUORDSA-N 312.395 -0.658 30 20 DBED C#CCO[C@H](C)C(=O)NC1(C)CCN(C(=O)CC(N)=O)CC1 1072915946 SEUVYIPMSOCZHK-LLVKDONJSA-N 309.366 -0.603 30 20 DBED Cn1ncc(C(=O)N2CC[C@H]3OCCN(CC#N)[C@@H]3C2)c1N 1074222826 NSLWBHNDGLMBBV-VXGBXAGGSA-N 304.354 -0.559 30 20 DBED CC#CCN1CCO[C@H]2CCN(C(=O)Cc3n[nH]c(C)n3)C[C@@H]21 1074238023 JEEBUWULVFXZQG-KBPBESRZSA-N 317.393 -0.019 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CCN(C(=O)[C@H](C)CC(N)=O)CC1 1074659477 JBRYHCDANRDOMW-GHMZBOCLSA-N 324.381 -0.873 30 20 DBED C[C@H]1C[C@H](NC(=O)C#CC2CC2)CCN1C(=O)CNC(N)=O 1074979469 LQKLVSDZPBYXME-CMPLNLGQSA-N 306.366 -0.436 30 20 DBED C=CCn1cccc1C(=O)NCC[C@H](C)NC(=O)CNC(N)=O 1077018232 QENNKLGRCUEVGH-NSHDSACASA-N 321.381 -0.033 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CCCN(C(=O)Cn2cnnn2)CC1 1079058866 JQCJIVPOGDHDSD-RYUDHWBXSA-N 319.369 -0.328 30 20 DBED C#CCCCCC(=O)N(CC)C1CN(C(=O)Cn2cnnn2)C1 1079637739 JSVOPWTVDPWJOF-UHFFFAOYSA-N 318.381 -0.074 30 20 DBED C=CCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)CC(=O)NC)C1 1079980129 WWYRGYLNUVVPOC-NSHDSACASA-N 311.382 -0.227 30 20 DBED C[C@H](C#N)C(=O)NC1(CO)CCN(C(=O)c2cnns2)CC1 1080979983 GIJBPKDQLCDITD-SECBINFHSA-N 323.378 -0.219 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)c2cncn2C)C[C@H]1O 1081465978 NNAOJZKTVQLSJF-TZMCWYRMSA-N 318.377 -0.371 30 20 DBED C[C@H](NC(N)=O)C(=O)N1CCCC[C@H]1CNC(=O)C#CC1CC1 1082029898 LAMAZAKKWCPVND-AAEUAGOBSA-N 320.393 -0.046 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2CN([C@H](C)COC)C[C@@H]2O)c1 1083765571 KFGKCUCVOBVCTF-DFBGVHRSSA-N 303.362 -0.127 30 20 DBED Cc1cc(C(=O)N[C@@H]2CN(CC#N)C[C@@H]2O)n2nc(C)cc2n1 1084068295 UJYNXKUSDWJKHY-YPMHNXCESA-N 314.349 -0.355 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCCS2(=O)=O)C1 1084076424 LAPSZPHHYDJFKG-WOPDTQHZSA-N 302.396 -0.699 30 20 DBED C=CCN[C@H]1C[C@H](CNC(=O)c2cc(=O)n3[nH]cnc3n2)C1 1086532737 HDSPCIDRDWYRQD-MGCOHNPYSA-N 302.338 -0.298 30 20 DBED C=CCCN1CC[C@@H](NC(=O)c2ccn3nnnc3c2)[C@H](O)C1 1090486625 OQRIFBVLRKVXSU-CHWSQXEVSA-N 316.365 -0.135 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2c[nH]c(C)cc2=O)[C@H](O)C1 1090700255 ZRQUZJOZAOVJHB-DZGCQCFKSA-N 303.362 -0.128 30 20 DBED C=CCN1CC[C@@H](NC(=O)c2cccn3c(O)nnc23)[C@H](O)C1 1090721337 GAJOOUOGIUPCBD-VXGBXAGGSA-N 317.349 -0.214 30 20 DBED C#CCN1CC[C@H](NC(=O)c2c(C)nn3cccnc23)[C@@H](O)C1 1090821274 ZPYWWLGXXPVTOG-STQMWFEESA-N 313.361 -0.164 30 20 DBED CC[C@@H](OC)C(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1091088143 XWIVWLXHFHAPQI-GRYCIOLGSA-N 305.338 -0.561 30 20 DBED Cc1ccc(C#N)c(N2C[C@H](O)[C@H](NC(=O)CCN(C)C)C2)n1 1091177700 GLBXCHMKMKYJIS-KGLIPLIRSA-N 317.393 -0.121 30 20 DBED CO[C@H](C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O)C(C)C 1091179106 HGGPMEXXYKTQSI-DYEKYZERSA-N 319.365 -0.315 30 20 DBED CC(=O)N(C)CC(=O)NC[C@H]1C[C@H](N=c2cc[nH]c(C#N)n2)C1 1091429843 HQTHXMXBWSPFRK-HAQNSBGRSA-N 316.365 -0.445 30 20 DBED COCCC(=O)N[C@@H]1CCN(c2cnc(C#N)cn2)C[C@@H]1O 1092129748 CBEQPLRFLWKNBW-NEPJUHHUSA-N 305.338 -0.559 30 20 DBED N#Cc1nc(=NCCNC(=O)[C@H]2CC[C@@H](C(N)=O)C2)cc[nH]1 1094120420 KAUYXWNJTZZWLG-ZJUUUORDSA-N 302.338 -0.800 30 20 DBED C#CCN1CC(n2cc(CNC(=O)[C@H]3CCCN3C)nn2)C1 1094278185 BDCUFWRXXJXZRQ-CQSZACIVSA-N 302.382 -0.522 30 20 DBED Cn1cncc1C(=O)NCc1cn(C2CN(CC#N)C2)nn1 1094303731 YLOWFKBMYPUMSU-UHFFFAOYSA-N 300.326 -0.678 30 20 DBED C=CCN1CCN(C(=O)c2cc(C)[nH]n2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094611520 NLHANDRHAAJADJ-QWHCGFSZSA-N 324.406 -0.172 30 20 DBED N#CCN1CCN(C(=O)C2[C@H]3CCC[C@H]23)[C@@H]2CS(=O)(=O)C[C@@H]21 1094620319 WTRYJXASPMHBIN-ZDEQEGDKSA-N 323.418 -0.134 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)C[C@@H]3CCOC3)CC2=O)C1 1094715791 QUOSUYMAKRPYRJ-QWHCGFSZSA-N 305.378 -0.553 30 20 DBED CS(=O)(=O)CCC(=O)N1CC[C@@H](N=c2cc[nH]cc2C#N)C1 1095087113 MKDSIUZRLUDDON-GFCCVEGCSA-N 322.390 -0.177 30 20 DBED C[C@@H](CC(N)=O)C(=O)N1CCC[C@H](N=c2cc[nH]c(C#N)n2)C1 1095320000 BLRXBMLIIYGLOY-QWRGUYRKSA-N 316.365 -0.315 30 20 DBED CC(=O)N(C)CC(=O)NCCCN(C)c1cnc(C#N)cn1 1095473378 VMHMBCUCSKJTEF-UHFFFAOYSA-N 304.354 -0.231 30 20 DBED CC(=O)N[C@H](C)C(=O)N[C@@H]1CCN(c2cnc(C#N)cn2)C1 1096317575 VVWNQNGNLUYHKK-MWLCHTKSSA-N 302.338 -0.432 30 20 DBED C[C@H](CNC(=O)Cn1cnnc1O)Nc1cnc(C#N)cn1 1097787196 CKSBCQODXFXAAL-MRVPVSSYSA-N 302.298 -0.738 30 20 DBED C#CCNCc1cn([C@H]2CCN(C(=O)CCN(C)C)C2)nn1 1098722949 RIUAKJMPMGHGFE-AWEZNQCLSA-N 304.398 -0.274 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)N=c1cc[nH]cc1C#N 1098983014 CANLKHXZRMMHHU-LBPRGKRZSA-N 313.361 -0.179 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H](O)C1 1099776259 PELGNTKTJZAKGG-ZFWWWQNUSA-N 316.361 -0.299 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2n[nH]cc2C)[C@@H](O)C1 1099813681 SNZLGYDWPAOCIJ-STQMWFEESA-N 306.366 -0.467 30 20 DBED CC(C)(C)C#CC(=O)N[C@H]1CCN(CC(=O)NC2CC2)C[C@@H]1O 1099830820 YPSYOGPZZJCTFH-KBPBESRZSA-N 321.421 -0.134 30 20 DBED C#CCCN1CC[C@H](NC(=O)CNC(=O)C2CCCC2)[C@H](O)C1 1099848166 SMYNPFMDXCLYPF-LSDHHAIUSA-N 321.421 -0.133 30 20 DBED Cc1nsc(N(C)CCNC(=O)Cn2cnnn2)c1C#N 1099922283 WHUJXFCXICWTNY-UHFFFAOYSA-N 306.355 -0.438 30 20 DBED C#CCN1CC[C@H](NC(=O)CCCn2ccccc2=O)[C@H](O)C1 1099944979 SLITZIVXIFJXEI-LSDHHAIUSA-N 317.389 -0.187 30 20 DBED C#CCN1CC[C@@H](NC(=O)CC(=O)NCC(F)(F)F)[C@@H](O)C1 1100055499 DLBNWBYGCHLILK-ZJUUUORDSA-N 321.299 -0.760 30 20 DBED CN(CCNC(=O)c1ccc(=O)n(C)n1)c1ncccc1C#N 1100095573 TZGVKJGGYHZHLY-UHFFFAOYSA-N 312.333 -0.087 30 20 DBED N#CCN1CC[C@@H](NC(=O)CNC(=O)c2cccs2)[C@@H](O)C1 1100096252 BUNJSVORACUNQK-MNOVXSKESA-N 322.390 -0.447 30 20 DBED C=CCCCN1CC[C@H](NC(=O)CN2C(=O)CCC2=O)[C@@H](O)C1 1100101902 UWNWFQFCVLREPX-STQMWFEESA-N 323.393 -0.347 30 20 DBED CCN(CC)C(=O)CCC(=O)N[C@@H]1CCN(CC#N)C[C@H]1O 1100121460 AJCUKKBYDHAXPD-CHWSQXEVSA-N 310.398 -0.290 30 20 DBED CCNC(=O)NC(=O)CNC1CC(CNC(=O)C#CC2CC2)C1 1100314780 DFNQERDZSFQLHA-UHFFFAOYSA-N 320.393 -0.270 30 20 DBED CC#CCNC1CC(CNC(=O)CCNS(C)(=O)=O)C1 1100379025 ASLMHCGCNPIDSH-UHFFFAOYSA-N 301.412 -0.567 30 20 DBED CN(C)[C@@H](C(=O)NCC1CC(NCC(=O)NCC#N)C1)C1CC1 1100407735 HNQUOAZUIKYXJN-ABIUDSBCSA-N 321.425 -0.549 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCC1CC(NC[C@H](O)COC)C1 1100415581 XWDVYOBAKYKVFP-CKUJCDMFSA-N 323.437 -0.424 30 20 DBED CCN(CCNC(=O)[C@@H]1CCC(=O)N1)c1nc(C)cc(C#N)n1 1100573356 UMOWBGLBPWELQA-LBPRGKRZSA-N 316.365 -0.122 30 20 DBED CCN(CCNC(=O)[C@H]1CC(=O)N(C)C1)c1cncc(C#N)n1 1100749398 WXLWBBBTYNVNAM-NSHDSACASA-N 316.365 -0.231 30 20 DBED COCC#CCNC1CC(CNC(=O)CCN2CCOCC2)C1 1100758833 QLDDAWREXOQQOI-UHFFFAOYSA-N 323.437 -0.157 30 20 DBED CNC(=O)NCC(=O)NC[C@H]1CCN(c2ccnc(C#N)n2)C1 1101065661 AXIPUGTVMIFGLN-SNVBAGLBSA-N 317.353 -0.780 30 20 DBED C[C@@H](CNc1cnc(C#N)cn1)N(C)C(=O)Cn1ncnn1 1104688655 LUIUIMXCMNQRGJ-VIFPVBQESA-N 301.314 -0.706 30 20 DBED N#CCNCc1cn(C2CN(C(=O)C[C@H]3CCCO3)C2)nn1 1105172020 YIZJMECMLNISDV-CYBMUJFWSA-N 304.354 -0.156 30 20 DBED C=CCNCc1cn(C2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)nn1 1105235470 GXXDPZOLCIKPFG-VXGBXAGGSA-N 306.326 -0.398 30 20 DBED C#CCNCc1cn(C2CN(C(=O)[C@H](C)OCCOC)C2)nn1 1105337098 RWGHQDPSCDYFDX-LBPRGKRZSA-N 321.381 -0.564 30 20 DBED CN(CCN(C)c1ccnc(C#N)n1)C(=O)C(C)(C)C(N)=O 1105490129 CCEKXQRHMSRVTH-UHFFFAOYSA-N 304.354 -0.246 30 20 DBED Cc1ccoc1C(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1 1105746453 CYYBNNQOJHQVBJ-SNVBAGLBSA-N 301.306 -0.126 30 20 DBED CN(C)CCCCC(=O)NC[C@H](O)CNc1ccc(C#N)nn1 1105908613 UYEVACOCTITPKV-CYBMUJFWSA-N 320.397 -0.031 30 20 DBED Cn1cncc1CC(=O)NC[C@H](O)CNc1ccc(C#N)nn1 1105914564 XYRBTQGWYUPZQZ-GFCCVEGCSA-N 315.337 -0.787 30 20 DBED Cc1cc(C#N)nc(NCC[C@H](C)NC(=O)CNC(N)=O)n1 1106196826 WHDIGJLGRQFCBD-QMMMGPOBSA-N 305.342 -0.368 30 20 DBED C[C@@H](CCNc1cncc(C#N)n1)NC(=O)[C@H]1CNC(=O)N1 1106542713 IHFXTQDDSPAXLK-WCBMZHEXSA-N 303.326 -0.664 30 20 DBED Cc1nc(CC(=O)NC/C=C/CN=c2cc[nH]c(C#N)n2)n[nH]1 1107154374 CLSLXVFALDHMNP-NSCUHMNNSA-N 312.337 -0.476 30 20 DBED C#CCNC(=O)CC(=O)NCc1cn(C2CN(CCC)C2)nn1 1107161089 XKYCUKQUIXZCLE-UHFFFAOYSA-N 318.381 -0.700 30 20 DBED C#CCCCC(=O)N[C@H]1CC(=O)N(C2CN([C@@H](C)C(N)=O)C2)C1 1108538555 KHTCKGUTALDHCH-RYUDHWBXSA-N 320.393 -0.935 30 20 DBED COC(=O)NCC(=O)N1CCC[C@H]1CN=c1cc[nH]c(C#N)n1 1110530060 LOZIONAQWGBYJK-JTQLQIEISA-N 318.337 -0.471 30 20 DBED C#CCOCCC(=O)N(C)[C@H]1CN(c2nccnc2F)C[C@@H]1O 1111190695 NQNVJKNLNCMLMT-RYUDHWBXSA-N 322.340 -0.337 30 20 DBED COC[C@@H](OC)C(=O)N(CCO)CCNc1cncc(C#N)n1 1111557130 JIFBFSCBECDXGM-GFCCVEGCSA-N 323.353 -0.758 30 20 DBED N#Cc1ccc(NC[C@@H]2CN(C(=O)CNC(N)=O)CCO2)nc1 1111931197 VJYKJLIHADYFEW-LLVKDONJSA-N 318.337 -0.739 30 20 DBED Cc1nnsc1C(=O)N1CCN(CC(=O)NCC#N)CC1 1112606279 PCBWDWODHBEADO-UHFFFAOYSA-N 308.367 -0.756 30 20 DBED CC(C)OCC(=O)NC[C@@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1112709410 JAKABGBWOPSOFV-YPMHNXCESA-N 319.365 -0.313 30 20 DBED CCO[C@H](C(=O)N1CCN(CC(=O)NCC#N)CC1)C(C)C 1112839232 DZPQGEVCYAZVTO-AWEZNQCLSA-N 310.398 -0.169 30 20 DBED C[C@H](NC(=O)C1(C(N)=O)CC1)[C@@H](C)Nc1cncc(C#N)n1 1113274591 SYIPMXSPQJZZRQ-BDAKNGLRSA-N 302.338 -0.081 30 20 DBED C[C@H](N=c1cc[nH]c(C#N)n1)[C@H](C)NC(=O)CCc1cnn[nH]1 1113308561 FNXQWMVMSGROKK-UWVGGRQHSA-N 314.353 -0.174 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)c2ncccn2)CC1 1113451590 JQFAYVDDADWUPW-GFCCVEGCSA-N 303.366 -0.075 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H]1[C@@H]2CN(CCn3cncn3)C[C@@H]21 1114274017 YTGCCNWUXZFZDA-IGQOVBAYSA-N 303.366 -0.637 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)c3cncn3C)[C@@H]2C1 1114523801 IOORLDNUXXYAOH-QJPTWQEYSA-N 315.377 -0.782 30 20 DBED C#CCN1C[C@H]2C(NC(=O)CCNC(=O)[C@H]3CCCO3)[C@@H]2C1 1115350335 RKDGXYNYBTYLST-JHJVBQTASA-N 305.378 -0.649 30 20 DBED CNC(=O)NCCC(=O)N(C)C[C@@H](C)N=c1cc[nH]cc1C#N 1115704296 JNZLPYONZWPKCM-LLVKDONJSA-N 318.381 -0.047 30 20 DBED C=CCNC(=O)c1ccc(NC(=O)C(=O)NCCC(N)=O)cc1 1116716422 HWCPSPGVUXPSNQ-UHFFFAOYSA-N 318.333 -0.468 30 20 DBED Cc1nc(N[C@@H](CO)CNC(=O)[C@@H](C)C#N)nc(N(C)C)n1 1121212754 ITVFWWQHPCJQDK-WCBMZHEXSA-N 307.358 -0.705 30 20 DBED C=CCOCC(=O)NC[C@@H](CO)Nc1ncnc2c1ncn2C 1121325069 VBSYFSPYUGYKSM-JTQLQIEISA-N 320.353 -0.545 30 20 DBED CO[C@@H](C(=O)NC[C@H](CO)Nc1cnc(C#N)cn1)C1CC1 1121504852 ITVWBXPURCDPKK-DGCLKSJQSA-N 305.338 -0.338 30 20 DBED Cc1cc(=N[C@@H](CO)CNC(=O)c2c[nH]nc2C)c(C#N)c[nH]1 1122293825 PAVYDBAQVOAPRQ-GFCCVEGCSA-N 314.349 -0.082 30 20 DBED N#C[C@H](C(=O)[C@H]1CCSC1)C(=O)N1CCS(=O)(=O)CC1 1122500173 YWBBFRNBXLBXCY-VHSXEESVSA-N 316.404 -0.295 30 20 DBED N#C[C@H](C(=O)c1cncs1)C(=O)N1CCS(=O)(=O)CC1 1122506725 OYOCFNXGQKTGIM-MRVPVSSYSA-N 313.360 -0.277 30 20 DBED C=C(C)CN(CC)C(=O)[C@H](C)NCCNC(=O)CNC(N)=O 1123263786 OXBAKJJFVMBWIL-NSHDSACASA-N 313.402 -0.826 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)[C@H](C)n2cccn2)C1=O 1123918128 LESLYQIQCPURPP-QWHCGFSZSA-N 305.382 -0.063 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)[C@H](C)n2cccn2)C1=O 1123918129 LESLYQIQCPURPP-STQMWFEESA-N 305.382 -0.063 30 20 DBED CC(C)C#CC(=O)N(C)C[C@H](O)CN=c1cc[nH]c(C#N)n1 1124278756 NXAXDTYYFGYPMY-GFCCVEGCSA-N 301.350 -0.339 30 20 DBED C[C@@H](NC(=O)CC(N)=O)C1CCN(c2ccc(C#N)nn2)CC1 1126609673 UQZLTDVMUJWGPO-SNVBAGLBSA-N 316.365 -0.055 30 20 DBED CC1(C)NC(=O)N(CCCNCCNC(=O)C#CC2CC2)C1=O 1126885818 LKPQWFYYVNMSRR-UHFFFAOYSA-N 320.393 -0.174 30 20 DBED C[C@@H]1CCCc2ncc(C(=O)NCCNCC(=O)NCC#N)n21 1127797140 HXEXTCMFNSTNAP-LLVKDONJSA-N 318.381 -0.260 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCNC[C@@H]1CCNC(=O)CC1 1129770341 DOLYMKVHOPZNQO-GJZGRUSLSA-N 320.437 -0.294 30 20 DBED CN(C)CCC(=O)NCc1nc([C@@H]2COCCN2CC#N)n[nH]1 1130857282 WKPBTQCKVFECIU-NSHDSACASA-N 321.385 -0.731 30 20 DBED COCC#CCNCCNC(=O)[C@H]1CCc2nncn2CC1 1131508313 HVZVRSHWYPSVOB-ZDUSSCGKSA-N 305.382 -0.414 30 20 DBED CC#CCNC[C@H]1CN(C(=O)c2nnc(O)nc2O)CC[C@H]1C 1132953687 GWYWWVRLKUNFIL-MNOVXSKESA-N 319.365 -0.006 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)Cn2nccc2C)C1=O 1134517811 SWDRFIGYVUFVLA-CYBMUJFWSA-N 305.382 -0.316 30 20 DBED CC#CCN[C@H](C)C[C@H](C)NC(=O)Cn1ccc(=O)n(C)c1=O 1134541570 TWBMGXIHVMBOGZ-OLZOCXBDSA-N 320.393 -0.557 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCNCCS(C)(=O)=O 1135148034 ZPLSVMLMMTYNMS-RYUDHWBXSA-N 304.412 -0.282 30 20 DBED C#CCCN1CCCO[C@@H](CNC(=O)[C@@]2(C)CCNC2=O)C1 1150317046 GTZCYGTWMQMUNF-BBRMVZONSA-N 307.394 -0.257 30 20 DBED CC(C)(C(=O)NC[C@H]1CN(CC#N)CCCO1)S(C)(=O)=O 1150411058 SMYQXWNIJNNSOM-NSHDSACASA-N 317.411 -0.460 30 20 DBED C=CCO[C@@H](C)C(=O)NCCNCCNC(=O)NC(C)C 1153149077 RUEINLFFHAEFEJ-LBPRGKRZSA-N 300.403 -0.009 30 20 DBED C=CCNC(=O)CN(CC)[C@H](C)CNC(=O)c1c[nH]c(=O)cn1 1154887662 BCVWHJRHOPYPCG-LLVKDONJSA-N 321.381 -0.488 30 20 DBED C#CCC1(C(=O)NCCCN[C@H](C)C(=O)NC(N)=O)CCC1 1159664814 HRUVUHPBAKGIOH-LLVKDONJSA-N 308.382 -0.141 30 20 DBED COCC#CCN1CC=C(CCNC(=O)c2nnn(C)n2)CC1 1160928143 ZZAGKNZPMDIVOB-UHFFFAOYSA-N 318.381 -0.388 30 20 DBED COC[C@H](C)C(=O)NCCC1(CNCC(=O)NCC#N)CC1 1163791183 JSPBRKTWDFBEMI-LBPRGKRZSA-N 310.398 -0.215 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)C(C)(C)NC(C)=O 1168493404 BSKFBBZJHZOFDE-LLVKDONJSA-N 310.398 -0.865 30 20 DBED COCC#CCNCCCNC(=O)Cn1c(C)cc(C)nc1=O 1169336503 FMURFRXRNKWQTL-UHFFFAOYSA-N 320.393 -0.394 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)Cc1nonc1C 1169887337 NPJFXLALMFJECD-NSHDSACASA-N 309.370 -0.293 30 20 DBED C#CCNC(=O)CNCCCC[C@@H](C)NC(=O)[C@@H]1CCNC1=O 1174661039 TZGLWQVYQUKXHO-CHWSQXEVSA-N 322.409 -0.864 30 20 DBED C=C(C)CN1CCO[C@H]2CCN(C(=O)CCNC(N)=O)C[C@H]21 1177144214 LRFQUAOBXGYOLK-OLZOCXBDSA-N 310.398 -0.077 30 20 DBED C=CCNCCCCCCNC(=O)CNC(=O)CNC(C)=O 1178846399 LNSBEMXEHIFIOV-UHFFFAOYSA-N 312.414 -0.309 30 20 DBED N#CCNCCCCCCNC(=O)CN1CCC(=O)NC1=O 1179999941 HBZJCLJEMABTKM-UHFFFAOYSA-N 309.370 -0.282 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)CCn2cccn2)C1 1181039803 SCZAKTKKGCNJEO-UONOGXRCSA-N 317.393 -0.398 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2ccc(C)nn2)C1 1182450552 YCFAJYBICGBTJB-QWHCGFSZSA-N 315.377 -0.273 30 20 DBED C#CCNC[C@H]1CCN(C(=O)c2cn(C)c(=O)nc2O)C[C@H]1C 1185682600 RMHRXYAAZPOTPC-VXGBXAGGSA-N 318.377 -0.193 30 20 DBED C=C(C)CN[C@@H]1CCN(C(=O)CNS(=O)(=O)N(C)C)C1 1185977069 KUFLWMNUKDGMJB-LLVKDONJSA-N 304.416 -0.851 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H](C)Cc2cnc[nH]2)C1 1186221739 NHPANJOWVSKRNC-CHWSQXEVSA-N 317.393 -0.472 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CN(CCCCCn2cncn2)C[C@H]1O 1191881952 MKYKSDRXUVUDNY-MGPQQGTHSA-N 320.397 -0.231 30 20 DBED CCn1nc(C)c(CN2C[C@@H](O)[C@H](NC(=O)C#CC3CC3)C2)n1 1192822314 YHVDEFOVUPPMIX-HUUCEWRRSA-N 317.393 -0.319 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2ccn(CC)n2)C[C@H]1O 1192892429 XOJHTUZVSSKTLI-BPLDGKMQSA-N 320.393 -0.397 30 20 DBED C#CCCN1CCCN(C(=O)COCc2ncnn2C)CC1 1197653845 LOZMIJBMZUCHLQ-UHFFFAOYSA-N 305.382 -0.111 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)c2cnn(C)c2C)CC1 1199313069 WFMWZCFAWOUJCK-UHFFFAOYSA-N 317.393 -0.328 30 20 DBED C#CCNC[C@@H]1CN(C(=O)C[C@@H]2CCC(=O)NC2)CCCO1 1200673072 KQIWIAAYZFRUHD-UONOGXRCSA-N 307.394 -0.257 30 20 DBED C#CCNC[C@H]1CN(C(=O)[C@@H]2CCCN2C(N)=O)CCCO1 1202236509 STGXSVAWHNSEGR-STQMWFEESA-N 308.382 -0.630 30 20 DBED C#CCN[C@@H]1C[C@@H](NC(=O)CCn2ncn(C)c2=O)C12CCC2 1203221642 LMWAKVSDWSQVTK-CHWSQXEVSA-N 317.393 -0.378 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@H](NC(=O)c2nc[nH]n2)C12CCC2 1203499538 IBKMVHOYDNUJJN-QWRGUYRKSA-N 316.365 -0.815 30 20 DBED C[C@@H]1CO[C@@H](C(=O)N2CCC(CNCC(=O)NCC#N)CC2)C1 1205721836 BVWIYBFNQPVILL-GXTWGEPZSA-N 322.409 -0.121 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)CC1CCOCC1 1206690040 QSHCOJZRJLSQPV-TZMCWYRMSA-N 322.409 -0.121 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2nonc2C)C[C@H]1OC 1212262320 LGHHEBMDYYVATP-ZIAGYGMSSA-N 322.365 -0.267 30 20 DBED C=CCCN1C[C@@H](NC(=O)CC[C@H]2NC(=O)NC2=O)[C@H](OC)C1 1213829348 QXHLOOYOPSTVMZ-IJLUTSLNSA-N 324.381 -0.634 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)c2cnns2)C[C@H]1C 1214220499 BGBAOTUHDUWCAT-NXEZZACHSA-N 309.395 -0.110 30 20 DBED CC[C@H](C(=O)N1C[C@@H](NCC(=O)NCC#N)[C@H](C)C1)N(C)C 1214950677 WOJUKXILZXZGKB-JHJVBQTASA-N 309.414 -0.597 30 20 DBED C=CCCOCC(=O)N1C[C@@H](NCC(=O)NC(N)=O)[C@H](C)C1 1216913339 IJZFJNVUMAYFMC-GHMZBOCLSA-N 312.370 -0.790 30 20 DBED C[C@@H](CS(C)(=O)=O)C(=O)N1CCO[C@@H]2CN(CC#N)C[C@@H]21 1219055024 SFYGFJCKARSLBK-SDDRHHMPSA-N 315.395 -0.898 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(Cc2nnc(CC)o2)C[C@@H]1O 1219536462 RBMOBAJXUBJKGL-JRPNMDOOSA-N 324.381 -0.380 30 20 DBED COCC#CCN1CC[C@@H]2CN(C(=O)Cc3n[nH]c(C)n3)[C@@H]2C1 1221530482 NBGIYPBKQYUAAT-ZIAGYGMSSA-N 317.393 -0.162 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC(CNC(=O)c2cn[nH]c2)CC1 1222446001 QYRGBSHSCLKIPJ-LBPRGKRZSA-N 317.393 -0.011 30 20 DBED C=CCOCC(=O)N1CC[C@H]2CCN(CC(=O)NCC#N)[C@H]2C1 1222458333 MRYIHADNPWIPMH-KGLIPLIRSA-N 320.393 -0.248 30 20 DBED C#CCCN1CCC(CNC(=O)CN2CCNC(=O)C2)CC1 1224033749 KXMQQQUTCSVHIE-UHFFFAOYSA-N 306.410 -0.730 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC(NC(=O)c2cnccn2)CC1 1225855753 YERMSXSTKZRRCM-GFCCVEGCSA-N 315.377 -0.191 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)[C@@H]2CCNC(=O)C2)CC1 1226866538 FZQOWXJMXCZUQV-GFCCVEGCSA-N 322.409 -0.605 30 20 DBED C=CCO[C@H](C)C(=O)NC1CCN([C@@H]2CCC(=O)NC2=O)CC1 1230407809 ZESGQZIBHOHVAI-DGCLKSJQSA-N 323.393 -0.037 30 20 DBED C#CCN1CCS(=O)(=O)[C@@H](CCNC(=O)Cc2cnc[nH]2)C1 1230502512 HGTZKGCDRTZBBD-ZDUSSCGKSA-N 324.406 -0.809 30 20 DBED C=CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)[C@H]1CCCNC1=O 1235600849 HWKZCPXKJXNFHE-OLZOCXBDSA-N 322.409 -0.653 30 20 DBED CC[C@@H](C)n1ncc(NC(=O)C(=O)NCC(=O)NCC#N)c1C 1261093475 MDVGZZRGUZNKID-SECBINFHSA-N 320.353 -0.143 30 20 DBED CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)C(=O)Nc1cnn(CC#N)c1 1319553749 NKWVLWSTEXXMLE-NXEZZACHSA-N 320.353 -0.235 30 20 DBED N#CCNC(=O)CNC(=O)C(=O)Nc1cnc2ccccc2c1 1323054930 OUSCLRSVZOGALD-UHFFFAOYSA-N 311.301 -0.071 30 20 DBED C#CCOCCNC(=O)C(=O)NCCc1nc(C(C)C)no1 1323387634 GKCIAGBYICNLDU-UHFFFAOYSA-N 308.338 -0.382 30 20 DBED N#Cc1cccc(NC(=O)C(=O)NC[C@H]2CC[C@H](C(N)=O)O2)c1 1323858280 OIFMVRQNCLTXDS-VXGBXAGGSA-N 316.317 -0.354 30 20 DBED Cn1ncc(COC(=O)CCN/C(O)=C2\N=CC=CC2=O)n1 1323923560 MUIMUGYOZDBBJY-OUKQBFOZSA-N 305.294 -0.225 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@@H]1C[C@H](OCC)[C@H]1OC)[C@@H]1CCCO1 1324239053 PBTPRINTJDDRAN-NDKCEZKHSA-N 324.377 -0.408 30 20 DBED Cn1cc(N2CC[C@H](NC(=O)C(=O)NCCCC#N)C2)cn1 1324933854 ZJWTUSZNEWWTCL-NSHDSACASA-N 304.354 -0.465 30 20 DBED C#CCSCCNC(=O)C(=O)N[C@H]1CCc2n[nH]cc2C1 1327606610 OGPLZCFXXVFZQR-NSHDSACASA-N 306.391 -0.134 30 20 DBED CC1(C)NC(=O)N(CCCC(=O)N2CC[C@@](O)(CC#N)C2)C1=O 1328568832 NNHMLCSAQLKYAW-HNNXBMFYSA-N 322.365 -0.026 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)NCc2ncccc2F)C1 1329346216 FOFPAGUXCQZEAH-AWEZNQCLSA-N 306.297 -0.286 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N[C@H](C)c1nnnn1C1CC1 1329943936 JEJXEBQERQTRHQ-RKDXNWHRSA-N 308.342 -0.498 30 20 DBED C#CC1CCN(C(=O)C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)CC1 1332226108 ZDFWHIBKCOTUAK-GFCCVEGCSA-N 303.362 -0.262 30 20 DBED C#CCOCCNC(=O)C(=O)NC[C@H](C)N1CCC(C)CC1 1341073114 JXYUJUWLSAXZTM-AWEZNQCLSA-N 309.410 -0.011 30 20 DBED Cc1cncc(C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)c1 1341900167 YYUHNWOOIXIKGZ-LBPRGKRZSA-N 321.358 -0.031 30 20 DBED C#Cc1cccc(Cn2nnnc2N2CCS(=O)(=O)CC2)c1 1355781390 SFHLOEBZJBDERS-UHFFFAOYSA-N 317.374 -0.063 30 20 DBED Cc1ncc(NC(=O)CCn2cc(C#N)c(O)nc2=O)cn1 1361741034 FIXAYDVZUVJETC-UHFFFAOYSA-N 300.278 -0.052 30 20 DBED Cc1cc(NC(=O)C2CN(S(C)(=O)=O)C2)nn1CCC#N 1362424294 UTYNNLPMBVOMQA-UHFFFAOYSA-N 311.367 -0.065 30 20 DBED N#Cc1cn(CCNC(=O)Cc2cscn2)c(=O)nc1O 1362687109 HLCLPKIQGSVIMZ-UHFFFAOYSA-N 305.319 -0.364 30 20 DBED CCOC(=O)N1CCC(Nc2[nH]c(=O)n(C)c(=O)c2C#N)CC1 1363128703 RWVATWYJIJQPMR-UHFFFAOYSA-N 321.337 -0.022 30 20 DBED Cc1cc(C[C@H](C)NS(=O)(=O)N2CCO[C@@H](C#N)C2)n[nH]1 1364870359 JTNLBGPQYUKCKM-JQWIXIFHSA-N 313.383 -0.292 30 20 DBED Cn1c(=O)[nH]c(N[C@@H]2C[C@H]3CCCCN3C2=O)c(C#N)c1=O 1365227821 QVKNAFAVXGLHBM-PSASIEDQSA-N 303.322 -0.489 30 20 DBED N#C[C@@H]1CCCN(C(=O)NCc2nnc3c(=O)[nH]ccn23)C1 1365670010 ZQNVVOLZAISNCY-VIFPVBQESA-N 301.310 -0.137 30 20 DBED C=C(Cl)CN1CCOC[C@@H]1CNC(=O)CS(=O)(=O)CC 1368445361 BETCOTLASQAYMC-NSHDSACASA-N 324.830 -0.009 30 20 DBED C[C@H](NC(=O)NCCn1cnc(C#N)n1)[C@H](O)C(F)(F)F 1369787524 XEIQOEQTGZWUAR-XPUUQOCRSA-N 306.248 -0.239 30 20 DBED C=C(Cl)CNC[C@H](C)NC(=O)c1cn(C)c(=O)n(C)c1=O 1374941399 WTKWKQJJEIABFX-VIFPVBQESA-N 314.773 -0.456 30 20 DBED CNC(=O)NCC(=O)N(C)C1CCC(NC(=O)[C@H](C)C#N)CC1 1382818991 LTTPZQNQGRWAND-VOMCLLRMSA-N 323.397 -0.039 30 20 DBED CN(CCNC(=O)[C@@H]1COCCO1)C(=O)c1ccc(C#N)[nH]1 1386811885 RCZSKZDYZXOAOX-LBPRGKRZSA-N 306.322 -0.510 30 20 DBED Cc1cc(C)n(CC(=O)NC[C@@H](C)NC(=O)[C@H](C)C#N)c(=O)n1 1408308760 VMJDWPANOWACFN-MWLCHTKSSA-N 319.365 -0.359 30 20 DBED Cn1cc(C(=O)NC[C@@H](O)CNC(=O)c2c[nH]c(C#N)c2)cn1 1410069891 SVXSAGBQZXIQPP-LBPRGKRZSA-N 316.321 -0.859 30 20 DBED COc1cc(C#N)ccc1S(=O)(=O)NCC(C)(CO)CO 1413352088 HSGVYUOVIDUQPE-UHFFFAOYSA-N 314.363 -0.164 30 20 DBED C[C@@H]1O[C@H](C)C[C@@H]1CNC(=O)Cn1cc(C#N)c(O)nc1=O 1418091570 VFKCCFWNCHOGEX-KXUCPTDWSA-N 306.322 -0.250 30 20 DBED C=C(Cl)CN1CC(O)(CNC(=O)c2ccc(C(N)=O)[nH]2)C1 1423866369 BDODDXKJTAREMT-UHFFFAOYSA-N 312.757 -0.357 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CN(C)C(=O)c1cccc(=O)n1C 1425860258 PZVJATDPVASLMD-WDEREUQCSA-N 320.349 -0.906 30 20 DBED CCN(CCNC(=O)[C@H](C)NS(C)(=O)=O)C(=O)[C@H](C)C#N 1429708329 JKSYRWQPQTZGBP-ZJUUUORDSA-N 318.399 -0.952 30 20 DBED COc1coc(CN2CC(O)(CNC(=O)[C@@H](C)C#N)C2)cc1=O 1446830280 MEVZLXKFCWORGE-JTQLQIEISA-N 321.333 -0.529 30 20 DBED CCCNC(=O)NC(C)(C)C(=O)N1CC(NC(=O)[C@@H](C)C#N)C1 1450483662 VIIAEGBQYGLDBF-JTQLQIEISA-N 323.397 -0.039 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1cnc2cc[nH]c2c1 1452394790 OXCYKFNSUGHVEA-ONGXEEELSA-N 315.333 -0.071 30 20 DBED CCc1noc(COCC(=O)N(C)CCNC(=O)[C@@H](C)C#N)n1 1455431762 GNWMMEXSZPVXDY-JTQLQIEISA-N 323.353 -0.117 30 20 DBED C[C@H](C#N)C(=O)NCCN(C)C(=O)[C@H]1CCc2nncn2C1 1455436937 XLLYOCXUWJSQJY-MNOVXSKESA-N 304.354 -0.425 30 20 DBED N#Cc1ncccc1S(=O)(=O)N[C@H](C(N)=O)c1ccccn1 1475326005 OXZKVGSEYUIZDN-LBPRGKRZSA-N 317.330 -0.147 30 20 DBED COCC(=O)NCCC(=O)N1CC[C@H](CNC(=O)[C@H](C)C#N)C1 1495214770 GKMMTWQVELCQKT-VXGBXAGGSA-N 324.381 -0.737 30 20 DBED CC(=O)N1CCCN(c2cnc(-c3nn[nH]n3)c(C#N)n2)CC1 1573441844 OBFUYZCLZYXRBH-UHFFFAOYSA-N 313.325 -0.413 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](C)N(C)c1cncc(-c2nn[nH]n2)n1 1573575971 CEKOKTNADQWYNP-RKDXNWHRSA-N 315.341 -0.243 30 20 DBED C[C@@](C#N)(NC(=O)CN1CCNC(=O)[C@@H]1CC(=O)O)C1CC1 1589323747 LNXHZIVMGQCHCD-HZMBPMFUSA-N 308.338 -0.930 30 20 DBED CON(C(=O)CCN/C(O)=C1/N=CC=CC1=O)[C@@H](C)C(=O)O 1594037105 UBGPHAUKCOARSE-WYNUBKAASA-N 311.294 -0.234 30 20 DBED N#CC1(C(=O)O)CCN(C(=O)c2ccc3c(c2)COB3O)CC1 1601055674 VTACKNCASHOVQJ-UHFFFAOYSA-N 314.106 -0.265 30 20 DBED N#Cc1ccc(NC(=O)C(=O)N2CCC(O)(C(=O)O)CC2)cc1 1601106837 GKHDMIVJNDXCLO-UHFFFAOYSA-N 317.301 -0.065 30 20 DBED N#Cc1ccc(S(=O)(=O)NCCn2cnnc2)c(C(=O)O)c1 1601111792 NEQRRHXHSODJRW-UHFFFAOYSA-N 321.318 -0.174 30 20 DBED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1cccnc1C(=O)O 1602675221 MXDCHHQZSMMMRQ-SECBINFHSA-N 305.290 -0.391 30 20 DBED C#CCN(CC(=O)O)S(=O)(=O)c1occc1C(=O)OC 1602699092 ILXIJIAVFKKHDE-UHFFFAOYSA-N 301.276 -0.225 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N1CCc2[nH]nc(C(=O)O)c2C1 1602902089 OBGUYBLWUVNWPV-MRVPVSSYSA-N 321.337 -0.134 30 20 DBED COC(=O)CCN(CC(=O)O)S(=O)(=O)c1ccc(C#N)o1 1604317432 SXTZMQOQLKYXJA-UHFFFAOYSA-N 316.291 -0.210 30 20 DBED N#Cc1nc(N[C@@H](CO)C[C@@H]2CCCO2)cnc1-c1nn[nH]n1 1606393203 ROHYCEIGPHUUGN-BDAKNGLRSA-N 316.325 -0.130 30 20 DBED C[C@H]1CN(C(=O)C(=O)N(C)CC(C)(C)C#N)C[C@@H](C(=O)O)O1 1607467529 ZBKMUNMPXPBHCP-UWVGGRQHSA-N 311.338 -0.305 30 20 DBED Cc1onc(N)c1S(=O)(=O)N1CCC(C#N)(C(=O)O)CC1 1608058987 SUCQCGVQHBTNIP-UHFFFAOYSA-N 314.323 -0.056 30 20 DBED CCn1cc(-c2nn[nH]n2)c(=O)n(C[C@@H](C#N)CCC#N)c1=O 1609258013 OHRLTEYDMSVJBD-SECBINFHSA-N 314.309 -0.346 30 20 DBED C#CCNC(=O)CNC[C@H]1CCCCN1C(=O)c1ccnn1C 1733710343 GNYDJMHQGPZJEW-CYBMUJFWSA-N 317.393 -0.246 30 20 DBED CNC(=O)NCCC(=O)NC1CCC(NCC#CCOC)CC1 1752848795 WLMVHWDZNOITSY-UHFFFAOYSA-N 324.425 -0.028 30 20 DBED CC#CCN1CC[C@@H](N(C)C(=O)[C@@H](C)NS(=O)(=O)CC)C1 1753436296 ITGROLFDOQJYLU-CHWSQXEVSA-N 315.439 -0.130 30 20 DBED C#CCNC(=O)CNC[C@@H](C)CNC(=O)c1cccc(OC)n1 1753636312 UBBSQCHNFOOILQ-GFCCVEGCSA-N 318.377 -0.205 30 20 DBED CCCOCC(=O)N1CC[C@H]2[C@H](CCN2CC(=O)NCC#N)C1 1753870739 GBHUVLWJUFBPCG-KGLIPLIRSA-N 322.409 -0.024 30 20 DBED C#CCNC(=O)CNC[C@@H](C)NC(=O)[C@@H]1Cc2ccccc2O1 1754234884 XKAXOZXHKPSSES-DOMZBBRYSA-N 315.373 -0.166 30 20 DBED C#CCNC(=O)CNC[C@H](C)NC(=O)[C@H](C)c1c(C)n[nH]c1C 1754289010 NLOUXPMIABDPSW-WDEREUQCSA-N 319.409 -0.026 30 20 DBED C[C@H]1CN(C(=O)CSCC#N)C[C@H]1CNCc1nnnn1C 1754814182 VZZWXXFKYLJHRA-WDEREUQCSA-N 323.426 -0.349 30 20 DBED C=CCCN1CC2(CC[C@@H](CNC(=O)Cn3ncnn3)O2)C1 1755054232 KUMCAADVQXWHRI-LBPRGKRZSA-N 306.370 -0.401 30 20 DBED Cc1c(C(=O)N2C[C@H](C)[C@H](NCC(=O)NCC#N)C2)cnn1C 1755103414 MBWOVMHRQQNONQ-GXFFZTMASA-N 318.381 -0.582 30 20 DBED C#CCNC(=O)CN[C@@H](C)[C@@H](C)NC(=O)CCc1cn[nH]c1 1755258540 ZVZXZXZEONAVLT-NWDGAFQWSA-N 305.382 -0.426 30 20 DBED C#CCOCCC(=O)N[C@H](C)C1CN(Cc2nnnn2C)C1 1755376990 NQRANXNHYPIQGK-LLVKDONJSA-N 306.370 -0.814 30 20 DBED O=C(C#CC1CC1)N1CC[C@]2(CN(CCOCCO)CCO2)C1 1755400395 GANUDQRCKYHXOR-KRWDZBQOSA-N 322.405 -0.288 30 20 DBED CC(C)C#CC(=O)NC[C@H]1[C@@H]2CN([C@H]3CCC(=O)NC3=O)C[C@H]12 1755423606 SOUGAFDTWPYQRU-FQUUOJAGSA-N 317.389 -0.255 30 20 DBED C=CCOCCN[C@@H](C)[C@@H]1CN(C(=O)c2cn(C)nn2)CCO1 1755441403 FRCSEXCITUVFCN-JSGCOSHPSA-N 323.397 -0.163 30 20 DBED C#CCNC(=O)CN[C@@H]1C[C@@H](C)N(C(=O)c2ncccc2O)C1 1755673030 FNOJYAVBDNYOJU-VXGBXAGGSA-N 316.361 -0.271 30 20 DBED C=C(C)CN(C)C[C@@H](O)CN(C)C(=O)[C@@H](C)NS(C)(=O)=O 1755806052 XDNHXNOVLODIDB-VXGBXAGGSA-N 321.443 -0.749 30 20 DBED C[C@H](NC(=O)[C@H]1CCOC1)C1CCN(CC(=O)NCC#N)CC1 1755847819 RDEAWCJPUXDWHA-JSGCOSHPSA-N 322.409 -0.121 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H](C)CN(C)C(=O)CCn1ccnn1 1756446471 IZADMTJRJFFDKD-STQMWFEESA-N 321.381 -0.330 30 20 DBED C=C[C@@](C)(CC)C(=O)NC[C@@H](CO)NC(=O)CNC(=O)NC 1756547924 LXCWQZIWNBUKCP-HZMBPMFUSA-N 314.386 -0.889 30 20 DBED C[C@H]1CCN(CC(=O)NC[C@H](CO)NC(=O)C#CC(C)(C)C)C1 1756549960 KGIXQYFGOAWIDI-UONOGXRCSA-N 323.437 -0.029 30 20 DBED C#CC(=O)N1CCO[C@]2(CCN(C(=O)CC3(O)CCC3)C2)C1 1784828197 AOKBECHNJNHKBB-INIZCTEOSA-N 306.362 -0.245 30 20 DBED COC(OC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC#N)C2 1793169251 OABCBVYUNRLXGE-PEGIJTEDSA-N 311.338 -0.891 30 20 DBED CC(=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CCC1)C2 1795066284 ZHKSJKIJODEVFF-CLLJXQQHSA-N 319.361 -0.141 30 20 DBED C#CCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)=O 1795066447 XHVBXNSCKIYGRJ-AGGWBTHJSA-N 306.362 -0.032 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C#CC(=O)O 1847805934 XMXRHXPSHPOTST-AVGNSLFASA-N 318.329 -0.686 30 20 DBED Cc1ccc(C#N)cc1S(=O)(=O)N[C@H](CC(N)=O)C(=O)O 70430303 AXTPYCFCVLYFJC-SECBINFHSA-N 311.319 -0.526 30 20 DBED N#CC1(C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)CCC1 129698119 OHMHEOMNVQMHFE-UHFFFAOYSA-N 304.350 -0.370 30 20 DBED N#Cc1cc(F)ccc1S(=O)(=O)N[C@@H](CCO)C(=O)O 275122722 UDDCLDYOMDVOEL-VIFPVBQESA-N 302.283 -0.189 30 20 DBED COC(=O)C[C@@H](NS(=O)(=O)N(C)[C@H](C)CC#N)C(=O)OC 282977196 LUZVIRXAPVJYGR-RKDXNWHRSA-N 321.355 -0.841 30 20 DBED NS(=O)(=O)CCCCNC(=O)C#Cc1ccc2c(c1)OCO2 294494517 SDIVBVRCSXAUIX-UHFFFAOYSA-N 324.358 -0.048 30 20 DBED Cn1c(NCC2CCN(CC#N)CC2)c(C#N)c(=O)n(C)c1=O 301604429 LUVBAUZLYIYMQF-UHFFFAOYSA-N 316.365 -0.397 30 20 DBED O=S1(=O)CCCN1CC/N=C(/O)NCC1CCOCC1 328756566 UHUHIOGITISJNN-UHFFFAOYSA-N 305.400 -0.048 30 20 DBED C[C@H](C(O)=Nc1ncn(C)n1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 329430308 IBMAWZFYJJPSCT-VVULQXIFSA-N 319.321 -0.046 30 20 DBED C[C@H](C/N=C(/O)N1CCn2cnnc2C1)CN1CCOCC1 329728795 CTDKZSYLOVRPQM-GFCCVEGCSA-N 308.386 -0.024 30 20 DBED CN1C[C@H](/N=C(/O)N2CCN(C/C(O)=N/C3CC3)CC2)CC1=O 330121263 GTRQXBPOYONEJE-GFCCVEGCSA-N 323.397 -0.132 30 20 DBED CC(C)(O)CN1CCN(C(=O)CNc2ccc(C#N)cn2)CC1 330565100 VGPCWMXLIBIRDR-UHFFFAOYSA-N 317.393 0.280 30 20 DBED N#Cc1ccc(S(=O)(=O)NCCS(=O)(=O)NC2CC2)o1 344236528 UQBRUAKNJLTKAZ-UHFFFAOYSA-N 319.364 -0.489 30 20 DBED N#Cc1ccc(S(=O)(=O)N2CCC[C@H](S(N)(=O)=O)C2)o1 344716022 PVFYHRCTMORLJS-VIFPVBQESA-N 319.364 -0.407 30 20 DBED C[C@H]1C[C@H](O)CN1C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N 351050297 CRVTXCXGGMVAFS-ONGXEEELSA-N 319.365 0.430 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N[C@@H](CO)C2CCCC2)CCO1 352592173 BPJNQVPPACSCEJ-NEPJUHHUSA-N 303.384 -0.404 30 20 DBED COCCN(CCC#N)S(=O)(=O)N(C)[C@@H]1CCC[C@@H]1O 352595963 GDQSIJNQDIDPGZ-NEPJUHHUSA-N 305.400 -0.062 30 20 DBED C=CC[C@@H](CO)CNC(=O)NCCn1cc(C(=O)OC)nn1 356015933 XCQKVBKHWFGCJD-SNVBAGLBSA-N 311.342 -0.452 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H]2CC[C@H](O)C2)C1=O 356631868 ZVGZQWLIWWUTAT-UWVGGRQHSA-N 309.322 -0.760 30 20 DBED COC(=O)c1cn(CCNC(=O)Cc2noc(C)c2C#N)nn1 356896245 RFQVIOOHUJICSI-UHFFFAOYSA-N 318.293 -0.408 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCC(O)(CN2CCOCC2)CC1 374996935 ILIKDQAVVMAGFZ-CQSZACIVSA-N 311.426 -0.164 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCSC[C@H]1C(N)=O 407953393 LMXOEAZDSMIHLV-UWVGGRQHSA-N 320.440 -0.385 30 20 DBED CC(C)N1CCN(C(=O)C(=O)N2CCC(C#N)CC2)CC1=O 410436874 SBELNOBHQOIISP-UHFFFAOYSA-N 306.366 -0.172 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H](CN)CC(C)C)C1=O 419973802 HBGUTCWDFFYHFH-OLZOCXBDSA-N 324.425 -0.279 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N1C[C@H](CO)OC(C)(C)C1 420742563 HMOCKILQSSNJBH-GHMZBOCLSA-N 305.400 -0.206 30 20 DBED CN1CCN(C)[C@H](CNC(=O)C(=O)Nc2ccc(C#N)cc2)C1 478804896 HJRVXWUSXIHXLR-CQSZACIVSA-N 315.377 -0.141 30 20 DBED C#CCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 490802422 AUARZXZCYWKHNZ-VIFPVBQESA-N 309.347 -0.798 30 20 DBED CC(C)(C)OC(=O)NCCC=NNC(=S)NCC(N)=O 493873502 NNDAJXZQASNNGQ-UHFFFAOYSA-N 303.388 -0.164 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](COC)C(C)C)C1=O 525579565 ZRIYRTFNKHIOJU-JTQLQIEISA-N 311.338 -0.250 30 20 DBED C=CCn1cc(CNC(=O)N2CCN3CCOC[C@@H]3C2)nn1 567743268 IWESQODDVINORC-ZDUSSCGKSA-N 306.370 -0.310 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(Cc2ncc(C)cn2)c1=O 577836037 FWOHYTNTTHDRSU-UHFFFAOYSA-N 315.333 -0.310 30 20 DBED C[C@H](CN)CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 583565730 LEMRUSCZVMRMOT-SNVBAGLBSA-N 310.379 -0.452 30 20 DBED CC[C@@]1(CO)CCCN1C(=O)C(=O)NC1CCN(CC#N)CC1 588124970 RMBSATQXGISXPX-INIZCTEOSA-N 322.409 -0.146 30 20 DBED CN(C)S(=O)(=O)N1CCN(Cc2ccc(C#N)cn2)CC1 593941934 CLQOZRCMNFGYBK-UHFFFAOYSA-N 309.395 -0.123 30 20 DBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H](C#N)CO 597741391 NYDFOBUYAKOSJB-ONGXEEELSA-N 322.346 -0.774 30 20 DBED CC[C@]1(CO)CCCN1C(=O)C(=O)N1CCN(CCC#N)CC1 601465223 VFFLMYQVFWYDMQ-MRXNPFEDSA-N 322.409 -0.192 30 20 DBED CCCCS(=O)(=O)NCC(=O)N1CCN(CCC#N)CC1 602205918 LFBMNDXSKVSDIP-UHFFFAOYSA-N 316.427 -0.236 30 20 DBED C[C@H](CNC(=O)Nc1ccn(CCC#N)n1)S(N)(=O)=O 611532458 AJXBZSGDFVQZGA-MRVPVSSYSA-N 300.344 -0.405 30 20 DBED CN1CCN(C(=O)CCNC(=O)N2CC[C@@](F)(C#N)C2)CC1 615575036 PLONWPRRJSOFCK-CQSZACIVSA-N 311.361 -0.202 30 20 DBED C=CCCOCC(=O)N1CC(S(=O)(=O)N2CCNCC2)C1 647092246 AAAVWUJRINNXRE-UHFFFAOYSA-N 317.411 -0.975 30 20 DBED C=CC[C@H](CO)CNC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1OC 666104667 XCSMQJWBMCGZOZ-AXFHLTTASA-N 306.384 -0.718 30 20 DBED C[C@H](OC(=O)CNC(=O)c1ccc(C#N)cc1)C(=O)NC(N)=O 727011070 XRNHKPWPNSJCAW-QMMMGPOBSA-N 318.289 -0.585 30 20 DBED C#CCOc1ccc(NC(=O)CNC(=O)CNC(C)=O)cc1 731013050 GTZCYZVNQMKGNP-UHFFFAOYSA-N 303.318 -0.111 30 20 DBED N#CCNC(=O)COC(=O)CCN1C(=O)[C@H]2CCCC[C@H]2C1=O 731233247 GHYRTCUACKMCKM-PHIMTYICSA-N 321.333 -0.265 30 20 DBED CC(C)(C)OC(=O)NCc1nnnn1CC(=O)NCCC#N 769854289 NREPQMSKSQVOHQ-UHFFFAOYSA-N 309.330 -0.272 30 20 DBED C=CCNC(=O)CNC(=O)[C@H](O)[C@@H](O)c1nc2ccccc2[nH]1 779835371 VISOVUXYEPCIPI-CHWSQXEVSA-N 318.333 -0.624 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@@H](C)Cn1ccnc1)[C@@H]1CCCO1 789753254 LHJIURPIECCUES-AVGNSLFASA-N 304.350 -0.315 30 20 DBED C#C[C@H](NC(=O)C(=O)NCCc1cnccn1)[C@H]1CCCO1 793487137 IXNFSNUTKNVCIC-QWHCGFSZSA-N 302.334 -0.568 30 20 DBED C#CCC[C@H](O)CNC(=O)CCCN1C(=O)NC(C)(C)C1=O 799077261 CQHNAXCMFDREMX-NSHDSACASA-N 309.366 -0.013 30 20 DBED C#CCCS(=O)(=O)NC(=O)c1cncc(-n2ccnn2)c1 810783005 ALHCYHREAOOEAE-UHFFFAOYSA-N 305.319 -0.255 30 20 DBED CC#CC[C@@H](CO)NC(=O)Cn1cccc(C(=O)OC)c1=O 823728752 SKIRKXUIOCZDSR-NSHDSACASA-N 306.318 -0.475 30 20 DBED C[C@@H](OC(=O)C#Cc1ccc2c(c1)OCO2)C(=O)NCC(=O)O 827802075 BWFVETLMBUPQGT-SECBINFHSA-N 319.269 -0.101 30 20 DBED C=CCn1cc(C(=O)O[C@@H](C)C(=O)NC(=O)NC2CC2)nn1 830135475 FWASZAVBLKGMSK-QMMMGPOBSA-N 307.310 -0.002 30 20 DBED COc1ccc(C(=O)NCC(=O)N(CC#N)CC(=O)O)cc1 832169686 CJNSQVJSZWBGJW-UHFFFAOYSA-N 305.290 -0.138 30 20 DBED O=C(NCC#CCO)c1ccc(S(=O)(=O)N2CCCC2)o1 848041288 ZCCYVZSAAUDZTJ-UHFFFAOYSA-N 312.347 -0.210 30 20 DBED C#CCN1CCC[C@@H](NC(=O)[C@]2(OC)CCS(=O)(=O)C2)C1 923595338 IRFABKKJUZFSEL-OCCSQVGLSA-N 314.407 -0.596 30 20 DBED CN(C(=O)[C@]1(C)CCNC1=O)[C@H]1CCN(C(=O)C#CC2CC2)C1 937351937 CVOGBURDEKLOTG-SUMWQHHRSA-N 317.389 -0.015 30 20 DBED Cn1cnc(C(=O)N2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)n1 937796410 VHIAEZRLJVMKKM-JTQLQIEISA-N 313.321 -0.341 30 20 DBED Cc1ccc(=O)n(CC(=O)N[C@@H]2CCN(C(=O)[C@H](C)C#N)C2)n1 941914255 SQDIMKDAZNPABF-ZYHUDNBSSA-N 317.349 -0.572 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)c2cccc(O)n2)C1 944535010 PCLCFZRYOPZLFI-QWRGUYRKSA-N 318.333 -0.096 30 20 DBED Cc1cn(C)nc1C(=O)NC[C@@H]1CN(C(=O)[C@@H](C)C#N)CCO1 944588938 MBLOPHSOTXPKEM-CMPLNLGQSA-N 319.365 -0.155 30 20 DBED N#Cc1cc(C(=O)NC[C@H]2CCN2C(=O)[C@H]2COCCO2)c[nH]1 949485952 QRFSKHZOFOAOBT-CHWSQXEVSA-N 318.333 -0.368 30 20 DBED C#Cc1cncc(C(=O)N2CC[C@H]2CNC(=O)c2cnnn2C)c1 949695417 LWHDSEJSYMEOIT-ZDUSSCGKSA-N 324.344 -0.164 30 20 DBED CC(=O)N1CC(C(=O)N[C@H]2CCCN(C(=O)[C@H](C)C#N)C2)C1 951868514 UFTIXWYHAWPPIJ-MFKMUULPSA-N 306.366 -0.268 30 20 DBED C#Cc1ccc(C(=O)N(C)C2CN(C(=O)Cn3cnnn3)C2)cc1 954939784 ANFBWMGTBLGQHX-UHFFFAOYSA-N 324.344 -0.363 30 20 DBED C=CCN1C[C@H](CNC(=O)c2ccc3nn[nH]c3n2)[C@@H](O)C1 958120567 ABRHKWFUQKBCJC-CABZTGNLSA-N 302.338 -0.439 30 20 DBED Cc1cc(=O)oc(C)c1C(=O)NC[C@@H]1CN(CC#N)C[C@@H]1O 958242983 GSXGZOVZHXKULK-NEPJUHHUSA-N 305.334 -0.197 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2ccn(CCOC)n2)C1 958254419 PCFSEKABRJVLQT-GXTWGEPZSA-N 306.366 -0.815 30 20 DBED C=C(C)CN1C[C@H](CNC(=O)c2cc(C(N)=O)c[nH]2)[C@@H](O)C1 958525594 INESLDHPAXRSPP-AAEUAGOBSA-N 306.366 -0.288 30 20 DBED N#CCN1CC[C@H]([C@H]2CCCN(C(=O)Cn3cnnn3)C2)C1 961099966 HSJPSPREAHPMDM-STQMWFEESA-N 303.370 -0.243 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1NC(=O)CN1CCCC1=O 966402554 SYMNJPFRHNNCQE-OCCSQVGLSA-N 317.389 -0.015 30 20 DBED N#Cc1c[nH]c(C(=O)N2C[C@H](O)[C@H](NC(=O)c3cnco3)C2)c1 969190659 HJRSEWAWWXASBJ-MNOVXSKESA-N 315.289 -0.510 30 20 DBED O=C(N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O)c1n[nH]cc1F 970355919 SMVKSBLGXHVNEH-MNOVXSKESA-N 306.297 -0.736 30 20 DBED C=CCCN1CC([C@@H](C)NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 970518929 QVQJILRHFZOBLA-LLVKDONJSA-N 320.393 -0.290 30 20 DBED C=CCCN1CC([C@@H](C)NC(=O)[C@H]2CCS(=O)(=O)N2)C1 970892801 SEKLMYAAUOVIQZ-ZYHUDNBSSA-N 301.412 -0.309 30 20 DBED C=CCCN1C[C@H]2CC[C@H]1CN2C(=O)[C@H]1CCS(=O)(=O)N1 972122389 ICKFOQBBWBKTCR-YNEHKIRRSA-N 313.423 -0.071 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@]2(CN(CC(=O)N(C)C)CCO2)C1 972299206 YQTFXADPUACXKN-DOMZBBRYSA-N 308.382 -0.462 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)CCc3nc[nH]n3)C2)C1 972325678 YXQYEYMJQCQPQS-OAHLLOKOSA-N 303.366 -0.326 30 20 DBED CC#CCN1CCO[C@]2(CCN(C(=O)CCn3ccnn3)C2)C1 972359284 XFXBKEKKIBTKGC-MRXNPFEDSA-N 317.393 -0.005 30 20 DBED CC#CCN1C[C@H]2[C@H](CNC(=O)c3nnc(O)nc3O)[C@H]2C1 978417150 UELDGAAHYAAZAG-OWUUHHOZSA-N 303.322 -0.786 30 20 DBED C=C(C)CN[C@@H]1CCC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 981098501 KLEYQYKPQQMAKS-VXGBXAGGSA-N 320.397 -0.030 30 20 DBED C#CCCN1CCCC2(C1)CN(C(=O)C[C@@H]1NC(=O)NC1=O)C2 981819194 RCVDWFCGKGGFLG-LBPRGKRZSA-N 318.377 -0.468 30 20 DBED N#Cc1ccc(C(=O)N2CC(NC(=O)C[C@@H]3COC(=O)C3)C2)[nH]1 990830735 GIQQCPHTAVPMRO-VIFPVBQESA-N 316.317 -0.220 30 20 DBED C=CCn1cc(C(=O)NC2CN(C(=O)c3n[nH]cc3C)C2)nn1 991673285 LCEJJQHWVAGLON-UHFFFAOYSA-N 315.337 -0.250 30 20 DBED C#CCN1CC[C@@]2(NC(=O)CN3C(=O)CNC3=O)CCC[C@@H]12 992471322 GXZYZKDNFIGEIC-ABAIWWIYSA-N 304.350 -0.715 30 20 DBED C[C@@H]1[C@H](NC(=O)c2cnc(O)n(C)c2=O)CCCN1CC#N 993682084 HVSSDWRCFWTRPO-MWLCHTKSSA-N 305.338 -0.408 30 20 DBED C=C(Cl)C(C)(C)C(=O)N1CC(NC(=O)[C@@H]2CNC(=O)N2)C1 998667978 CEOQBHOEVUVYQX-VIFPVBQESA-N 314.773 -0.227 30 20 DBED N#CCN1CCC(C2(NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)CC2)CC1 1000262119 WHWOQRHCROEGDK-QWHCGFSZSA-N 320.393 -0.096 30 20 DBED N#Cc1c[nH]c(C(=O)NCC2CN(C(=O)[C@H]3CCC(=O)N3)C2)c1 1001336992 SHZANLHCJHDBDU-LLVKDONJSA-N 315.333 -0.647 30 20 DBED CCn1cc(CC(=O)NC2[C@@H]3CN(C(=O)[C@H](C)C#N)C[C@@H]23)nn1 1013566202 AXULWZZSUKZLKT-YUSALJHKSA-N 316.365 -0.427 30 20 DBED C=CCOc1cccnc1C(=O)N[C@@H]1CCN(CC(N)=O)C1 1015969893 YIPNKCQYYHSGRF-LLVKDONJSA-N 304.350 -0.064 30 20 DBED C=C(Cl)CN[C@H]1C[C@H](NC(=O)CN2C(=O)CN(C)C2=O)C1 1021026040 UQUALKYLDXYEQZ-MGCOHNPYSA-N 314.773 -0.130 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C(F)F)C1 1022864612 WFLLKUYQHYOOBD-DBIOUOCHSA-N 318.320 -0.079 30 20 DBED CC#CCN1C[C@H]2[C@H](NC(=O)C3CC4(C3)NC(=O)NC4=O)[C@H]2C1 1026102946 RBLSXGCSRRQQFR-LABFESNASA-N 316.361 -0.956 30 20 DBED C=CCN1[C@H]2CC[C@H]1CN(C(=O)c1cnc(O)n(C)c1=O)C2 1029417662 DHLFMFQZMOTDNL-QWRGUYRKSA-N 304.350 -0.039 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)[C@]3(F)CCOC3)C2)C1=O 1030839175 CAMJZYIFFQDSNJ-WFASDCNBSA-N 311.357 -0.298 30 20 DBED C#CCN1CCCC[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 1034424696 UUTAJYMMVPJTLS-GFCCVEGCSA-N 318.377 -0.699 30 20 DBED N#CCN1CCO[C@@H](CNC(=O)c2cnc3nccn3c2)C1 1035444947 JYCDTYZOQLBFAZ-LBPRGKRZSA-N 300.322 -0.317 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2CN(CC(=O)NC)CCO2)cc1 1035472009 WWBZCNWXBSAFDV-OAHLLOKOSA-N 315.373 -0.156 30 20 DBED C=CCCN1CCO[C@H](CNC(=O)c2cn(C)c(=O)nc2O)C1 1035604280 KGNYJNTYKZBZOX-LLVKDONJSA-N 322.365 -0.507 30 20 DBED N#CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)c1ccccc1-n1cnnn1 1037717580 IQYJBWDWVAYTQF-SWHYSGLUSA-N 309.333 -0.012 30 20 DBED C=CCOCC(=O)N1CC[C@@](O)(CNC(=O)c2[nH]nnc2C)C1 1040465853 CBDSIFVVENIWPT-CQSZACIVSA-N 323.353 -0.991 30 20 DBED C[C@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)Cc2cscn2)C1 1040766693 RVDVCRRFOVVAMY-YGRLFVJLSA-N 322.390 -0.075 30 20 DBED Cc1nonc1CC(=O)NC[C@]1(O)CCN(C(=O)[C@H](C)C#N)C1 1040778069 CVANRPGZFOIHOZ-YMTOWFKASA-N 321.337 -0.840 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(O)(CNC(=O)[C@H](C)SC)C1 1041616509 JGXLJDIBZAHHKW-GXFFZTMASA-N 316.423 -0.246 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)[C@H]2CC2(F)F)C1 1042912814 VHEIPUQZJOVCQL-SNVBAGLBSA-N 300.305 -0.010 30 20 DBED O=C(C#CC1CC1)NCC1(O)CN(C(=O)C2CCOCC2)C1 1042958313 JHTOUQWCUKMNOR-UHFFFAOYSA-N 306.362 -0.484 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)c2cocc2C)C1 1043040651 VQPJVOSUMIZWBF-UHFFFAOYSA-N 320.345 -0.069 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)c2c[nH]cc2C)C1 1043109913 WARCKWJYHRXSOR-UHFFFAOYSA-N 319.361 -0.334 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)c2coc(OC)n2)C1 1044076938 RFSULCNJUDYSOT-UHFFFAOYSA-N 309.322 -0.048 30 20 DBED C=C(C)C[C@@H](C)C(=O)N1CC(O)(CNC(=O)[C@@H]2CCC(=O)N2)C1 1044269102 HWZHLBJAMVBIBO-NEPJUHHUSA-N 323.393 -0.443 30 20 DBED C=CCCCC(=O)NCC1(O)CN(C(=O)C[C@H]2COC(=O)C2)C1 1045451308 QFBIOCVUIDYOGN-GFCCVEGCSA-N 324.377 -0.015 30 20 DBED C#CCN1CCC(C)(NC(=O)[C@@H]2Cc3cncn3C(=O)N2)CC1 1045510558 CBFJWPFDTFAOTN-ZDUSSCGKSA-N 315.377 -0.031 30 20 DBED C=CCCOCC(=O)N1CC(O)(CNC(=O)c2conc2C)C1 1045536145 ZVCOSGKBSNUUKK-UHFFFAOYSA-N 323.349 -0.121 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)CN2CC[C@@H](C)C2)C1 1046677074 OTDJGGFQOQUGSO-NEPJUHHUSA-N 308.382 -0.823 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)[C@H]1CN(C[C@H](C)OC)C[C@@H]1O 1047415230 OIACESFLJRXNGA-VGWMRTNUSA-N 323.437 -0.378 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C(N)=O)[nH]2)C1 1047530005 YXCLHBNKOORGAG-STQMWFEESA-N 304.350 -0.746 30 20 DBED C[C@@H](NCc1nnnn1C)[C@H]1CCN(C(=O)C#CC2CC2)C1 1047842710 BDUQDTXMBXMVGM-YPMHNXCESA-N 302.382 -0.050 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2ccc[nH]2)C1 1048225449 CZIQVMPJQSQHLF-XBFCOCLRSA-N 319.361 -0.303 30 20 DBED CC(=O)N(C)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C#CC(C)C)C1 1048797598 CLLCBYSILYEVFN-KBPBESRZSA-N 323.393 -0.846 30 20 DBED C#CCOCCC(=O)N(C)[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 1048848282 VTTISZPNJVNSOU-GJZGRUSLSA-N 318.373 -0.530 30 20 DBED C[C@@H]1[C@@H](NC(=O)c2nnn(C)n2)CCN1c1ccnc(C#N)n1 1050896212 DHCOTWDQLMMJKY-BDAKNGLRSA-N 313.325 -0.731 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)[C@@H]1CCc2cncn2C1 1050991025 RVJXBGINLRNZTA-HIFRSBDPSA-N 302.378 -0.104 30 20 DBED N#CCN1CCOC[C@H]1CNC(=O)c1ccc(C(N)=O)nc1 1051268508 KWLPANPPKGJORI-LLVKDONJSA-N 303.322 -0.865 30 20 DBED CNC(=O)CC(=O)N1C[C@@H](C)[C@H](CNC(=O)C#CC2CC2)C1 1052434116 CLWHOYHOGRUDGL-DGCLKSJQSA-N 305.378 -0.253 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)[C@H]1C[C@H]1C(=O)N(C)C)CCO2 1053430115 MXUOZDQDEZRKSN-KGLIPLIRSA-N 319.405 -0.353 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)[C@@H]3CCNC(=O)C3)CO2)C1 1053774862 LGAAXSGCXACDDB-CHWSQXEVSA-N 305.378 -0.505 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)Cc3cn(C)nc3C)CO2)C1 1053830700 JDKDVWKZKIXLBH-AWEZNQCLSA-N 302.378 -0.136 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)Cc3cn(CC)nn3)CO2)C1 1053878388 GHYXCQMVRXPYNV-ZDUSSCGKSA-N 303.366 -0.567 30 20 DBED Cc1nn(C)c(=O)c(C(=O)N2C[C@H](C)[C@H](NCC#N)C2)c1C 1054960003 PWRHAIKZRYHUFB-JOYOIKCWSA-N 303.366 -0.029 30 20 DBED CC(C)C#CC(=O)N1C[C@H]2CN(C(=O)[C@@H]3COCCO3)C[C@H]2C1 1055184910 PPBVGZAMEGKMDO-ZNMIVQPWSA-N 320.389 -0.022 30 20 DBED N#Cc1nccnc1N1C[C@@H]2C(NC(=O)Cc3cncnc3)[C@H]2C1 1056190617 KDFSLWSFLNBAFO-RYUDHWBXSA-N 321.344 -0.068 30 20 DBED N#Cc1ccc(N2C[C@H]3C(NC(=O)[C@H]4COC(=O)N4)[C@@H]3C2)cn1 1056192931 APMZQWQOFJZKFX-IJLUTSLNSA-N 313.317 -0.388 30 20 DBED N#Cc1nccnc1N1C[C@H]2[C@H](NC(=O)Cc3cnc[nH]3)[C@H]2C1 1056428620 OIOLDCFTWQQCDA-YABSGUDNSA-N 309.333 -0.135 30 20 DBED Cn1cnc(C(=O)N2CCCN(c3ccc(C#N)nn3)CC2)n1 1057132295 BXXWACKNGAAKNP-UHFFFAOYSA-N 312.337 -0.171 30 20 DBED Cn1nccc1C(=O)N(CCO)CCNC(=O)C#CC1CC1 1057152967 ZOWHIMZOUHWLCQ-UHFFFAOYSA-N 304.350 -0.616 30 20 DBED C=C[C@](C)(O)CC(=O)N(CCO)CCNC(=O)Cc1cc[nH]n1 1057450750 YHRYYBZGCJIJGQ-HNNXBMFYSA-N 324.381 -0.784 30 20 DBED CC(C)(C)C#CC(=O)N(CCO)CCNC(=O)[C@H]1CCC(=O)N1 1057538817 GKFMQOKHUYYIAX-GFCCVEGCSA-N 323.393 -0.748 30 20 DBED C#CCOCCC(=O)N(CCO)CCNC(=O)C#CC1CC1 1057579078 IKJZGXGLQMVUHU-UHFFFAOYSA-N 306.362 -0.623 30 20 DBED C#CCO[C@H](C)C(=O)N(CCO)CCNC(=O)[C@H](C)SC 1057583577 UDGCGUOIUHOFSV-NEPJUHHUSA-N 316.423 -0.287 30 20 DBED N#Cc1cncc(N[C@@H]2CCCN(C(=O)[C@H]3CNC(=O)N3)C2)n1 1057748416 KDIHMNKUCIGSNQ-MWLCHTKSSA-N 315.337 -0.567 30 20 DBED N#Cc1ccc(N2CCC[C@H](NC(=O)[C@@H]3CNC(=O)N3)C2)cn1 1058231393 GNOQJYOBDWTKED-AAEUAGOBSA-N 314.349 -0.280 30 20 DBED N#Cc1ccc(N2CC[C@H](NC(=O)C3CS(=O)(=O)C3)C2)cn1 1058455989 BWPNPZSVZVVGLI-LBPRGKRZSA-N 320.374 -0.307 30 20 DBED C=C(C)C[C@H](C)C(=O)N(CCO)CCNC(=O)CNC(N)=O 1058462281 OPSYXDMBOOWRAW-NSHDSACASA-N 314.386 -0.806 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)Cc1ncc[nH]1 1058550099 LOOPQESFAQBNFM-UHFFFAOYSA-N 306.366 -0.451 30 20 DBED CCCn1cc(C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N)nn1 1058655436 YQOPEQNQHZIDHT-NSHDSACASA-N 322.369 -0.602 30 20 DBED Cc1nc(O)[nH]c1C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N 1058659267 WFTOMONGRNXITQ-QMMMGPOBSA-N 309.326 -0.866 30 20 DBED CN(C[C@H]1CCCN(C(=O)CC(N)=O)C1)c1cncc(C#N)n1 1058682223 XUNBBZSQYWTSDM-LLVKDONJSA-N 316.365 -0.102 30 20 DBED Cn1c(C(=O)N[C@H]2C[C@H](N=c3cc[nH]c(C#N)n3)C2)cccc1=O 1059402559 SFBYTCURAJMEIO-XYPYZODXSA-N 324.344 -0.158 30 20 DBED NC(=O)NCCC(=O)N1CC[C@H](CCNC(=O)C#CC2CC2)C1 1059634449 YXMWJGIEFGJFER-ZDUSSCGKSA-N 320.393 -0.187 30 20 DBED C=CCOCC(=O)NC[C@@H]1COCCN1C(=O)c1cnon1 1061425565 DWTDCVVWDGQUHT-SNVBAGLBSA-N 310.310 -0.771 30 20 DBED CC(=O)NCC(=O)N1CCOC[C@H]1CNC(=O)C#CC(C)(C)C 1061573898 ZERHQAZYQUCLGN-CYBMUJFWSA-N 323.393 -0.484 30 20 DBED C=CCCOCC(=O)NC[C@H]1COCCN1C(=O)COCC 1061666440 KPSSQFISZZSBPA-ZDUSSCGKSA-N 314.382 -0.041 30 20 DBED N#Cc1nccnc1N1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1COC(=O)N1 1062481090 FKHYXCYUIRKULE-QXEWZRGKSA-N 314.305 -0.754 30 20 DBED Cn1cnc(C(=O)N2C[C@@H]3C[C@H]2CN3c2nccnc2C#N)n1 1062486331 PPBBJERLEXYJLB-UWVGGRQHSA-N 310.321 -0.420 30 20 DBED CN(C(=O)[C@H]1CNC(=O)N1)[C@H]1CCN(c2ccc(C#N)nc2)C1 1063025040 NTSNXADRJOUCIV-QWHCGFSZSA-N 314.349 -0.328 30 20 DBED C[C@H]1CN(C(=O)CC(N)=O)CC[C@H]1Nc1cncc(C#N)n1 1063716348 PAQXHLVOFXTKOH-GXSJLCMTSA-N 302.338 -0.127 30 20 DBED N#Cc1nc(=NC[C@H]2CCC[C@H]2NC(=O)c2cnn[nH]2)cc[nH]1 1064150581 VTWNDLYWXDCGEO-NXEZZACHSA-N 312.337 -0.101 30 20 DBED N#Cc1ccc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)Cn2cnnn2)cn1 1064217410 SVDDBTDKCKDIEL-LJWDBELGSA-N 310.321 -0.667 30 20 DBED N#Cc1cnc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)Cc2nc[nH]n2)cn1 1064294098 HDIJFWJURGGUKN-IPURGOFSSA-N 310.321 -0.598 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)[C@H]2CCC(=O)N2C)CCC1 1064310859 RMSDPYBRHYURHQ-GHMZBOCLSA-N 306.366 -0.078 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCO[C@H](CNC(=O)c2ncc[nH]2)C1 1065096871 LPHSHZKFJKIGOW-IAQYHMDHSA-N 322.365 -0.306 30 20 DBED Cc1nc[nH]c1CC(=O)N1CCO[C@@H](CNC(=O)[C@H](C)C#N)C1 1065411464 UBAFOVYMNAGHQA-PWSUYJOCSA-N 319.365 -0.236 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@H](CNC(=O)CCn2ccnn2)C1 1065557802 VLQRMPVCEGCGLX-VXGBXAGGSA-N 320.353 -0.829 30 20 DBED CN(C(=O)c1cnon1)[C@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1065599384 KHJZPSDRCFCPKV-QWRGUYRKSA-N 315.293 -0.947 30 20 DBED C[C@H](C#N)C(=O)N(C)CCCN(C)C(=O)[C@H]1CN(C)CCO1 1067078494 BHBRPRWLHPAZHR-CHWSQXEVSA-N 310.398 -0.216 30 20 DBED Cn1cc(C(=O)NCC2[C@@H]3CN(c4nccnc4C#N)C[C@@H]23)nn1 1068169462 NHPFDFWTBPAXFS-QWRGUYRKSA-N 324.348 -0.411 30 20 DBED Cc1nn[nH]c1C(=O)NC[C@H]1[C@@H]2CN(c3ccnc(C#N)n3)C[C@H]12 1068192599 MVXRYFHNAZZNQN-RTCCRHLQSA-N 324.348 -0.113 30 20 DBED N#Cc1nccnc1N[C@@H]1CCC[C@H]2CN(C(=O)C(N)=O)C[C@@H]21 1069319013 OKUDXANXLJCUQD-GARJFASQSA-N 314.349 -0.127 30 20 DBED C=CCCC(=O)NC1(CNC(=O)[C@H]2C[C@H]2C(N)=O)CCOCC1 1070032002 DKHFJTNHKKHOGU-NEPJUHHUSA-N 323.393 -0.144 30 20 DBED CC#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)CN2CCCC2)C1 1070095009 PTIWWLFAEXVHOK-CABCVRRESA-N 316.409 -0.261 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2cnon2)C[C@H]1c1cncn1C 1070705039 YPFTYIJZSNHXTE-ZYHUDNBSSA-N 300.322 -0.366 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)c4cn(C)nn4)C[C@@]3(C1)O2 1070794751 AQIBMUQMIANLFC-YWPYICTPSA-N 301.350 -0.636 30 20 DBED N#CCN1C[C@H]2C[C@@H]3CN(C(=O)[C@H]4CCCNC4=O)C[C@@]3(C1)O2 1070811004 GLPLAHRDYUINRO-NFFDBFGFSA-N 318.377 -0.662 30 20 DBED C#CCCN1C[C@H]2C[C@H]3CN(C(=O)[C@H]4CCNC4=O)C[C@@]3(C1)O2 1070835152 IHJHOOBEZNAJMT-QDEZUTFSSA-N 317.389 -0.553 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CN(C(=O)c2cc[nH]n2)C[C@@H]1C 1071652092 QNBJXVFHRVFHIU-JQWIXIFHSA-N 317.349 -0.874 30 20 DBED CNC(=O)CC(=O)N[C@H]1CN(C(=O)CSCC#N)C[C@@H]1C 1071656996 YEGHGBCIQLOIJS-UWVGGRQHSA-N 312.395 -0.658 30 20 DBED C=CCOCC(=O)N1C[C@H](C)[C@@H](NC(=O)Cn2nccn2)C1 1071810401 AGGIRSWFLGSYNQ-RYUDHWBXSA-N 307.354 -0.556 30 20 DBED C#CCOCCC(=O)N1C[C@@H](NC(=O)CCNC(N)=O)[C@H](C)C1 1072097466 NBMKPVWCIBNPDC-VXGBXAGGSA-N 324.381 -0.952 30 20 DBED C#CCCN1CCCO[C@@H](CNC(=O)[C@@H]2COCCN2C)C1 1073578231 HFQQQLJHOCMIIU-GJZGRUSLSA-N 309.410 -0.453 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)[C@@H]2CCCN2CC#C)C1 1073642799 UQTUVBNVYUMKJN-CVEARBPZSA-N 303.406 -0.076 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)c2ccc(C(N)=O)o2)C1 1073687147 KPFRXJTYCGMGDW-LLVKDONJSA-N 305.334 -0.168 30 20 DBED C=CCO[C@H](C)C(=O)NCC[C@H](C)NC(=O)CNC(=O)NC 1077068958 COVQTOOEMVPSMM-WDEREUQCSA-N 314.386 -0.483 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)CN2CCCNC2=O)C1 1077297994 IFYXWCOPRBKDEW-GHMZBOCLSA-N 316.789 -0.685 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)c2ccc(=O)n(CC)n2)C1 1077857049 WZZRCQCNBRFXPD-CHWSQXEVSA-N 306.366 -0.386 30 20 DBED C[C@H](C#N)C(=O)N1CCc2ccccc2[C@H]1CNC(=O)C(N)=O 1079126620 JADMMJIWEIUEJQ-ZWNOBZJWSA-N 314.345 -0.126 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@H]1O 1081441669 KWESHMNIOJNETO-VXGBXAGGSA-N 323.393 -0.763 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(C(=O)Cc2cnc[nH]2)C[C@H]1O 1081474889 VLKRKMAUDRTOFX-TZMCWYRMSA-N 316.361 -0.699 30 20 DBED CCCN(C)CC(=O)NC[C@@H]1CN(C(=O)C#CC(C)C)C[C@H]1O 1081634173 CVQGJUWWSDDUFX-HUUCEWRRSA-N 323.437 -0.077 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)C1CCS(=O)(=O)CC1 1082195228 FOOSRSABJOODCG-VXGBXAGGSA-N 315.395 -0.850 30 20 DBED Cc1nonc1CN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H](C)C#N 1083026236 SQCZWOKFADAEHE-TVYUQYBPSA-N 305.338 -0.051 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2ccc3nc(O)[nH]c3n2)C1 1083730923 XRBKOIKMDXKLLA-MNOVXSKESA-N 301.306 -0.928 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2ccnc(-n3cccn3)c2)C1 1083769961 OFSZOXWQIVLNIC-KGLIPLIRSA-N 311.345 -0.325 30 20 DBED C=CCN1CC[C@@H]1CN(C)C(=O)c1cn(CC(=O)N(C)C)nn1 1085986505 GJQFPSZZNNLQJH-GFCCVEGCSA-N 320.397 -0.301 30 20 DBED COCCn1cc(C(=O)NC[C@H]2CC[C@@H](NCC#N)C2)nn1 1086693275 MSOHWVDWIQFYOP-NWDGAFQWSA-N 306.370 -0.064 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)CN3CCOCC3=O)C[C@@H]2C1 1087995581 TWQXTOUBJOIPQF-KGLIPLIRSA-N 305.378 -0.741 30 20 DBED C[C@H]1CC[C@H](NC(=O)CNC(N)=O)CN1c1cncc(C#N)n1 1089110289 PZELVGNZWJAWNW-UWVGGRQHSA-N 317.353 -0.510 30 20 DBED C[C@@H](C[C@H](C)NC(=O)CCNC(N)=O)N=c1cc[nH]c(C#N)n1 1089317846 ANXIRBWIWAAUTL-UWVGGRQHSA-N 319.369 -0.476 30 20 DBED C#CCN1CC[C@H](NC(=O)c2ccnn2CC(F)F)[C@@H](O)C1 1090264833 IEQNHYCDVMUTBA-JQWIXIFHSA-N 312.320 -0.054 30 20 DBED N#CCN1CC[C@@H](NC(=O)C23CCCN(CCC2)C3)[C@@H](O)C1 1090356739 YAYPSSHKIDIMJT-KGLIPLIRSA-N 306.410 -0.063 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2nc(OC)cc(OC)n2)[C@H](O)C1 1090363213 KXOFSORCXPQYFU-GHMZBOCLSA-N 320.349 -0.708 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2ccc3c(n2)OCCO3)[C@@H](O)C1 1090395160 ZVXZDRKRVGHMBI-PWSUYJOCSA-N 318.333 -0.459 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2ccnc3[nH]nnc23)[C@H](O)C1 1090426859 YETFETCGWPDIGD-NWDGAFQWSA-N 314.349 -0.459 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(c2cncc(Cl)n2)C[C@H]1O 1090495591 WIDUXGRRDMBACN-GHMZBOCLSA-N 324.768 -0.164 30 20 DBED C=C(C)CCN1CC[C@@H](NC(=O)c2c[nH]c(=O)cn2)[C@@H](O)C1 1090527056 WMLVTSDVVMIYQR-YPMHNXCESA-N 306.366 -0.099 30 20 DBED C=CCCN1CC[C@@H](NC(=O)c2nc3ncccn3n2)[C@H](O)C1 1090657857 IYNABEMEASXAAV-VXGBXAGGSA-N 316.365 -0.135 30 20 DBED C[C@@H](CC(N)=O)C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1C 1090804729 YCFKSVRCQTXHRY-HOSYDEDBSA-N 316.365 -0.199 30 20 DBED C=CCN1CC[C@@H](NC(=O)c2c(OC)ncnc2OC)[C@H](O)C1 1090844940 UZZWBEUBALRXSL-GHMZBOCLSA-N 322.365 -0.155 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1C[C@H](CNC(=O)Cn2cnnn2)C1 1091425720 CZVOTKBPMRTIIW-UMSPYCQHSA-N 312.337 -0.631 30 20 DBED COC[C@H](OC)C(=O)NC[C@H]1C[C@H](N=c2cc[nH]c(C#N)n2)C1 1091508458 AKIMGDPJYLNSEE-SRVKXCTJSA-N 319.365 -0.262 30 20 DBED C[C@H](NC(N)=O)C(=O)NCC1CC(N=c2cc[nH]c(C#N)n2)C1 1092210570 ZQJWETGJTKJOLC-IDKOKCKLSA-N 317.353 -0.866 30 20 DBED N#Cc1c[nH]ccc1=NCCNC(=O)CNC(=O)c1ccco1 1093613380 COWGZNMJKNKNAK-UHFFFAOYSA-N 313.317 -0.074 30 20 DBED CN1C(=O)CCC[C@@H]1C(=O)NCCNc1cnc(C#N)cn1 1093785717 ITZDSPAVAWCTOX-LLVKDONJSA-N 302.338 -0.113 30 20 DBED Cc1cc(=NCCNC(=O)c2cc(=O)n(C)cn2)c(C#N)c[nH]1 1094216665 AFGZNVRIWCLSAZ-UHFFFAOYSA-N 312.333 -0.381 30 20 DBED N#Cc1cncc(NCCNC(=O)c2ccnc3[nH]nnc23)n1 1094265904 ZCXXNJVLGIMJAK-UHFFFAOYSA-N 309.293 -0.144 30 20 DBED C#CCN1CCN(C(=O)c2ccccn2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094601093 BNGWMYOXIQELKQ-UONOGXRCSA-N 319.386 -0.362 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)C3=COCCC3)CC2=O)C1 1094712382 WQZCXGKVMHUEER-ZDUSSCGKSA-N 303.362 -0.285 30 20 DBED CN1C(=O)CC[C@H]1C(=O)NCCCNc1nccnc1C#N 1094722213 FVDHVMKFDSHBBL-NSHDSACASA-N 302.338 -0.113 30 20 DBED Cc1cc(=NCCCNC(=O)c2nnn(C)n2)c(C#N)c[nH]1 1094725006 KRBGPLTXMYQAMX-UHFFFAOYSA-N 300.326 -0.561 30 20 DBED N#CCN1CC(N2C[C@@H](NC(=O)c3csc(O)n3)CC2=O)C1 1094773958 IBRILYSFDPPERM-QMMMGPOBSA-N 321.362 -0.613 30 20 DBED N#Cc1nc(=NCCCNC(=O)[C@@H]2CCC(=O)NC2)cc[nH]1 1094884025 MRGRPXHFAVEPJG-SNVBAGLBSA-N 302.338 -0.785 30 20 DBED N#Cc1ccc(N2CCCN(C(=O)CCNC(N)=O)CC2)nn1 1095180914 KZQUGCWVJSTAGV-UHFFFAOYSA-N 317.353 -0.555 30 20 DBED N#Cc1cncc(N2CC[C@@H](NC(=O)CCn3ccnn3)C2)n1 1096362925 OAWFMEQUCGQPIR-LLVKDONJSA-N 312.337 -0.275 30 20 DBED C[C@H](CC(=O)N[C@@H]1CCN(c2nccnc2C#N)C1)NC(N)=O 1096440009 QETFESALNWRZFN-NXEZZACHSA-N 317.353 -0.510 30 20 DBED COC[C@H](OC)C(=O)N[C@H]1CCN(c2cnc(C#N)cn2)C1 1096482727 PKIRUMMGCWBRQU-JQWIXIFHSA-N 305.338 -0.295 30 20 DBED COC[C@@H](OC)C(=O)N[C@@H]1CCN(c2ccnc(C#N)n2)C1 1096483277 XXFQWOHNFMIJSI-GHMZBOCLSA-N 305.338 -0.295 30 20 DBED CNC(=O)NCC(=O)N[C@H]1C[C@H](Nc2nccnc2C#N)C1 1097109875 LQLUKIVBVGLYQI-KYZUINATSA-N 303.326 -0.664 30 20 DBED CN1CC[C@@H](CC(=O)N2CCC(N(CC#N)CCO)CC2)C1=O 1098401345 QKYMVPSZJDJBIS-ZDUSSCGKSA-N 322.409 -0.336 30 20 DBED C=CCC[C@H](C)NCc1cn([C@@H]2CCN(C(=O)C(N)=O)C2)nn1 1098710615 HSKVRPAHJZXVIJ-WCQYABFASA-N 320.397 -0.019 30 20 DBED C#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCS(=O)(=O)N2)C1 1099167933 ZHJRXUQARZJBLP-SCRDCRAPSA-N 311.407 -0.718 30 20 DBED Cn1cncc1CN1CC[C@@H](NC(=O)CSCC#N)[C@H](O)C1 1099690467 PBLJAZXQISPHKY-CHWSQXEVSA-N 323.422 -0.272 30 20 DBED CCn1nncc1CN1CC[C@H](NC(=O)C#CC2CC2)[C@@H](O)C1 1099825813 ARFXOIPBFLRYHI-GJZGRUSLSA-N 317.393 -0.237 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)CCNC(=O)COC)[C@@H](O)C1 1099864422 RPHKMCRKFHILGX-OLZOCXBDSA-N 313.398 -0.733 30 20 DBED C=CCCCC(=O)N[C@@H]1CCN(Cc2nnn(C)n2)C[C@H]1O 1099975380 AVPKXSAHYSJTCH-VXGBXAGGSA-N 308.386 -0.382 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)CC(C)(F)F)[C@@H](O)C1 1099992306 XJPPWHFXGLZXDU-QWRGUYRKSA-N 319.352 -0.115 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)Cc2ncc[nH]2)[C@H](O)C1 1100047910 CFBQGAFTMFVTMZ-QWHCGFSZSA-N 308.382 -0.294 30 20 DBED CN(CCNC(=O)[C@@H]1CCCS1(=O)=O)c1ccc(C#N)nn1 1100135339 OFIJOHCLMZKAGB-NSHDSACASA-N 323.378 -0.522 30 20 DBED CNC(=O)NC(C)(C)C(=O)NCCN(C)c1nccnc1C#N 1100154366 GQZNPHGAOARVPK-UHFFFAOYSA-N 319.369 -0.392 30 20 DBED CCN(CCNC(=O)C1(C(=O)NC)CC1)c1ccc(C#N)nn1 1100566488 UDNLYTFOUXUAHA-UHFFFAOYSA-N 316.365 -0.183 30 20 DBED CCN(CCNC(=O)[C@@H](C)CC(N)=O)c1cnc(C#N)cn1 1100676953 VCASOEDKVDMMNK-JTQLQIEISA-N 304.354 -0.198 30 20 DBED N#Cc1cncc(N2CC[C@@H](CNC(=O)CCNC(N)=O)C2)n1 1100980200 MITCKLDYMKYTJU-JTQLQIEISA-N 317.353 -0.651 30 20 DBED CC(C)(C(N)=O)C(=O)NCCN(c1cncc(C#N)n1)C1CC1 1101400792 OYFHOOYMDDZCBS-UHFFFAOYSA-N 316.365 -0.055 30 20 DBED CC[C@H](CNC(=O)CCNC(=O)NC)Nc1cncc(C#N)n1 1103065627 IGCFNSNUDPJTND-SNVBAGLBSA-N 319.369 -0.026 30 20 DBED CC[C@@H](CNC(=O)Cn1ncnn1)Nc1ccc(C#N)nn1 1103208057 SLJZMRIWDZNAHQ-VIFPVBQESA-N 301.314 -0.658 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)c1cnn(C)c1N 1103917640 SUKYRHTXSGNTPW-VIFPVBQESA-N 314.353 -0.436 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H](C)CNc1cnc(C#N)cn1 1103955825 BFJWQFRXQSVHIE-LLVKDONJSA-N 314.349 -0.348 30 20 DBED N#Cc1cnc(NC[C@@H]2CCC[C@H]2NC(=O)CC(N)=O)cn1 1105653206 YKBJLSTZRRJQIF-GXSJLCMTSA-N 302.338 -0.080 30 20 DBED Cc1ncsc1C(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1 1105718087 INOQMRNLVTXJJB-SECBINFHSA-N 318.362 -0.262 30 20 DBED CCN(CC)CC(=O)NC[C@@H](O)CNc1cncc(C#N)n1 1105869399 RLEQGCXXOMUFAT-LBPRGKRZSA-N 306.370 -0.421 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](O)CNC(=O)CN(C)C(C)C)n1 1105869411 RRKDUHQYMVQOIS-ZDUSSCGKSA-N 320.397 -0.114 30 20 DBED CN(C)[C@@H](C(=O)NC[C@H](O)CNc1cnc(C#N)cn1)C1CC1 1105995445 SYOHOPIPNMARBV-TZMCWYRMSA-N 318.381 -0.423 30 20 DBED Cc1n[nH]cc1C(=O)NC[C@@H](O)CNc1cnc(C#N)cn1 1106063339 ZMMNQJYKRVAIBO-JTQLQIEISA-N 301.310 -0.417 30 20 DBED N#Cc1cnc(NC[C@@H](O)CNC(=O)[C@@]23COC[C@@H]2C3)cn1 1106145488 PYSOFMLGAUZHKT-PXWWUCIGSA-N 303.322 -0.726 30 20 DBED C=CCNC[C@@H]1CN(C(=O)CCCS(N)(=O)=O)C[C@H]1C 1106611961 JELDNCVHBROMKN-VXGBXAGGSA-N 303.428 -0.075 30 20 DBED CN1C[C@@H](C(=O)NC/C=C\CN=c2cc[nH]cc2C#N)CC1=O 1107568755 OLUGIRNSRNMZLJ-DLGQBQFBSA-N 313.361 -0.062 30 20 DBED CC#CCN1CCO[C@@](C)(CNC(=O)CS(C)(=O)=O)C1 1107785700 HVNFPEPPINQHCT-ZDUSSCGKSA-N 302.396 -0.739 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)c2ccc(=O)n(C)c2)C1 1108048622 ZDZBEHNOBPCDSF-INIZCTEOSA-N 303.362 -0.161 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)COC[C@H]1CCOC1 1108521529 ZKDMMCRZMVIPJE-RYUDHWBXSA-N 319.365 -0.260 30 20 DBED CN1C[C@@H](C(=O)NCC2(Nc3cncc(C#N)n3)CC2)NC1=O 1110301412 HWNCNNBRTCGQJV-JTQLQIEISA-N 315.337 -0.567 30 20 DBED C[C@H](NC(N)=O)C(=O)N[C@]1(C)CCN(c2ccc(C#N)nn2)C1 1110745506 LUGXNPLBVHFZLS-LKFCYVNXSA-N 317.353 -0.510 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@]1(O)CCN(c2nccnc2F)C1 1111098676 UBJFLVRDZLTIFI-XHDPSFHLSA-N 322.340 -0.289 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)[C@H]2CCCCO2)CC1 1112768714 JGOMXQJEBYYRPT-ZIAGYGMSSA-N 307.394 -0.162 30 20 DBED C#CCNC(=O)CC(=O)N1CCN(Cc2nc(C)no2)CC1 1112773992 DAGJBQNAAZSARW-UHFFFAOYSA-N 305.338 -0.838 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)c2cnn(C)c2N)CC1 1112783743 ARMDEHHZBUVLCH-NSHDSACASA-N 320.397 -0.549 30 20 DBED C[C@H](NC(=O)CN1CCOCC1)[C@H](C)Nc1cnc(C#N)cn1 1112971420 QWBZYMMGTIPVDG-RYUDHWBXSA-N 318.381 -0.014 30 20 DBED C[C@H](N=c1cc[nH]c(C#N)n1)[C@@H](C)NC(=O)c1cnn(C)n1 1113092221 VHTYQTVRCMMOTO-DTWKUNHWSA-N 300.326 -0.482 30 20 DBED C=C(C)CN1CCN(C(=O)CNS(=O)(=O)N(C)C)CC1 1113389504 CZRAORBOPYXYGM-UHFFFAOYSA-N 304.416 -0.897 30 20 DBED N#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)CC[C@H]3CCCO3)[C@H]2C1 1113890797 HKOCUIKYQHEODO-FOCJUVANSA-N 320.393 -0.368 30 20 DBED N#CCSCC(=O)NC1[C@H]2CN(CCn3cncn3)C[C@H]12 1113899911 WNQZRQFCHZDHIB-QWRGUYRKSA-N 306.395 -0.419 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)c3cc(C)ncn3)[C@H]2C1 1114143757 TWGRDWHFOBOSFE-RYUDHWBXSA-N 315.377 -0.253 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)c3nccc(C)n3)[C@@H]2C1 1114189839 WZKLDNPXJDRJLR-VXGBXAGGSA-N 313.361 -0.806 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)c3csnn3)[C@H]2C1 1114635596 KXXGWHNQSUQMDF-IUCAKERBSA-N 307.379 -0.500 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)C3(CN(C)C)CC3)[C@H]2C1 1114743848 RMLOIVZQSNICCU-NHAGDIPZSA-N 320.437 -0.323 30 20 DBED C=CCCCN1C[C@H]2C(NC(=O)c3cn(CC(N)=O)nn3)[C@@H]2C1 1115295639 CSCCBCBDVUAXEP-GHMZBOCLSA-N 318.381 -0.610 30 20 DBED C=CCCOCC(=O)N[C@H]1[C@@H]2CN(Cc3cnn(C)n3)C[C@@H]21 1115324470 RHQXOLPTVCYHCT-NHAGDIPZSA-N 305.382 -0.046 30 20 DBED N#CCn1cc(NC(=O)C(=O)N[C@@H]2CCN(C3CC3)C2)cn1 1116332423 UKCKHMFXAWNDOY-SNVBAGLBSA-N 302.338 -0.302 30 20 DBED C[C@H]1CN(C(=O)C(=O)N2CCN(CCC#N)CC2)CC[C@@H]1O 1118969784 VFVMMYUYIZXAQK-STQMWFEESA-N 308.382 -0.726 30 20 DBED C[C@@H](CN(C)C(=O)c1nnn(C)n1)Nc1cncc(C#N)n1 1120501891 HWFJRCNSICAIKM-QMMMGPOBSA-N 301.314 -0.556 30 20 DBED C[C@H](CN(C)C(=O)[C@@]1(C)CCNC1=O)N=c1cc[nH]c(C#N)n1 1120662447 VSBPCFQOINTXOD-BMIGLBTASA-N 316.365 -0.445 30 20 DBED CCOCC(=O)NC[C@@H](CO)Nc1cc(C#N)nc(CC)n1 1121003031 CKDVVQAWKFIZRP-NSHDSACASA-N 307.354 -0.164 30 20 DBED C=CCOCC(=O)NC[C@H](CO)Nc1cc(C)nc(OC)n1 1121324946 SNPMYIIMCWLSGQ-LLVKDONJSA-N 310.354 -0.115 30 20 DBED CNC(=O)CC(=O)N1C[C@H](Nc2cncc(C#N)n2)C[C@H]1C 1123202176 IHHWTNSZVOTOSG-NXEZZACHSA-N 302.338 -0.114 30 20 DBED N#CCSCC(=O)NCCNC[C@H]1CCS(=O)(=O)C1 1123792026 FBIKORKENTUIBI-SNVBAGLBSA-N 305.425 -0.616 30 20 DBED CN(C[C@H](O)CNc1ncccc1C#N)C(=O)c1nnn(C)n1 1124649236 NJOQYOBBQRSAMR-SNVBAGLBSA-N 316.325 -0.978 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCNCc1nnn(C(C)(C)C)n1 1126377708 DOGFNOBSUXARAB-CQSZACIVSA-N 310.402 -0.039 30 20 DBED CCO[C@H](C(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1)C1CC1 1128999038 NONZGFZXKKYKFV-RDBSUJKOSA-N 318.381 -0.042 30 20 DBED C#CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)CN(C)C(C)C)C1 1129460376 LKSUBEAZPMVIKF-CABCVRRESA-N 318.425 -0.017 30 20 DBED C=CCO[C@H](C)C(=O)N1C[C@H](n2ccnn2)[C@H](NCCCO)C1 1130151276 MAVUJUQUQNHGMK-MCIONIFRSA-N 323.397 -0.407 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2ccnnc2)CC[C@@H]1C 1132322249 QLTNFYVAOLRKGC-JSGCOSHPSA-N 315.377 -0.191 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)c2nc[nH]n2)CC[C@H]1C 1132369443 XGMYBAWINVSGOJ-MNOVXSKESA-N 306.370 -0.310 30 20 DBED CCN(CC)CC(=O)N[C@H]1CC[C@H](C)N(CC(=O)NCC#N)C1 1132375522 DTIOHAMTQAINPS-KBPBESRZSA-N 323.441 -0.063 30 20 DBED C=CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)CNC(=O)C1CC1 1133772589 ASAIJMKLBYJYGX-NWDGAFQWSA-N 324.425 -0.312 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1C[C@H]1c1cncn1C 1134045740 OPKUTJCMVMRILF-YNEHKIRRSA-N 317.393 -0.633 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)c1ccncn1 1135716791 XJZTVAVMSLAJES-NWDGAFQWSA-N 303.366 -0.288 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1cn(C(C)C)nn1 1135994046 CNOBVPTXYGKWPB-LLVKDONJSA-N 306.370 -0.684 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC2(CN(C(=O)c3ccon3)C2)C1 1147071830 OFQQKODDFSGEGE-GFCCVEGCSA-N 316.361 -0.040 30 20 DBED C#CCO[C@H](C)C(=O)N1CC2(CCN([C@@H]3CCN(C)C3=O)C2)C1 1147541378 OEOVECQXDDJQOR-ZIAGYGMSSA-N 319.405 -0.210 30 20 DBED Cn1cnnc1COCC(=O)N1CC2(CCN(CC#N)C2)C1 1148524577 OPOZPIABJMYUJE-UHFFFAOYSA-N 304.354 -0.610 30 20 DBED Cn1nnc(CN2CCCO[C@@H](CNC(=O)C#CC3CC3)C2)n1 1149694667 RINNHWYHPMPKGI-ZDUSSCGKSA-N 318.381 -0.669 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)Cc2cn(CC)nn2)C1 1150013079 VGEJCWJTKZKQKR-CQSZACIVSA-N 305.382 -0.319 30 20 DBED C#CCN1CCC(CCOC)(NC(=O)CN2CCOCC2)CC1 1151069183 DWOROQLGRILZHA-UHFFFAOYSA-N 323.437 -0.061 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@@H](C(C)C)N1CCCC1 1152464536 UYXIJBJNEWFSRZ-OAHLLOKOSA-N 308.426 -0.438 30 20 DBED CCOCCNC(=O)CNCCCNC(=O)CSCC#N 1154802197 AKBAWWRMNPUGDQ-UHFFFAOYSA-N 316.427 -0.508 30 20 DBED C=C(C)CN(CC)C(=O)CN(CC)[C@H](C)CNC(=O)C(N)=O 1154952803 NVYQRRITQKFJJA-GFCCVEGCSA-N 312.414 -0.277 30 20 DBED C#CCO[C@H](C)C(=O)NCCCNCCCN1C(=O)CNC1=O 1157881051 VJFCGASLUKQFSM-GFCCVEGCSA-N 324.381 -0.938 30 20 DBED C[C@@H](C#N)C(=O)NCCC1=CCN(Cc2nc(=O)n(C)[nH]2)CC1 1159587605 UVCAPVPMQYBSNZ-NSHDSACASA-N 318.381 -0.094 30 20 DBED COCC#CCNCC1(CCNC(=O)[C@@H]2CCNC2=O)CC1 1166559053 AMZSJFWSFVMXTG-CYBMUJFWSA-N 307.394 -0.352 30 20 DBED C[C@@H](CCCCNCC(=O)NCC#N)NC(=O)c1cncnc1 1170319136 MDSNYJFUMDCZMV-LBPRGKRZSA-N 318.381 -0.005 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@@H]1CCc2n[nH]cc2C1 1171048136 YQPUPVUDLZMIDO-GFCCVEGCSA-N 319.409 -0.087 30 20 DBED CC#CCNCCCC[C@H](C)NC(=O)c1cn(CC(N)=O)nn1 1176760156 QMCRPNOXKOUBQR-LBPRGKRZSA-N 320.397 -0.335 30 20 DBED C=CCCN1CCO[C@@H]2CCN(C(=O)CCNC(N)=O)C[C@@H]21 1177144195 LIYLWGGXHNTPBP-QWHCGFSZSA-N 310.398 -0.077 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC[C@H](NCc2nnn(C)n2)[C@@H]1C 1180269666 WEFYKDGEQSKFIU-SRVKXCTJSA-N 308.386 -0.120 30 20 DBED C=CCOCC(=O)N1CC[C@@H](NCCN2C(=O)CCC2=O)C1 1181598379 FTVDBPZVHBXJLK-GFCCVEGCSA-N 309.366 -0.472 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)CCc2nc[nH]n2)C1 1181916877 JHIFDMGMHPLCFC-VXGBXAGGSA-N 318.381 -0.934 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2cnnn2CC)C1 1182336000 ICBCBIWODRINMQ-NWDGAFQWSA-N 318.381 -0.760 30 20 DBED N#CCNC(=O)CN[C@@H]1CCN(C(=O)c2cn3c(n2)CCC3)C1 1182684982 XPIZMYCWWSSRIV-LLVKDONJSA-N 316.365 -0.727 30 20 DBED CC#CCNC[C@H]1CCN(C(=O)Cn2ncn(C)c2=O)C[C@H]1C 1184684388 OZPSIDXHVJYLBT-ZIAGYGMSSA-N 319.409 -0.321 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)CCc2cnn(C)n2)C1 1185689504 FMTINRZIPJYPBG-CQSZACIVSA-N 305.382 -0.412 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](CNCC)C2(CCOCC2)C1 1186357151 ROUIWUDLMRFFCC-CQSZACIVSA-N 321.421 -0.009 30 20 DBED COCC#CCN1C[C@@H]2CCN(C(=O)[C@@H]3CCC(=O)N3)[C@@H]2C1 1189857897 VKVISNKXRWMNPQ-MELADBBJSA-N 305.378 -0.553 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@@H](N(C)Cc2nc(=O)n(C)[nH]2)C1 1190096133 XSMSSHBRIAVXEP-NWDGAFQWSA-N 321.381 -0.821 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(CC(=O)NCCCC)C[C@H]1O 1192504256 ZDVCMNVMUSYLGR-ZIAGYGMSSA-N 309.410 -0.133 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(CCc2ccnn2C)C[C@H]1O 1192531539 XKUZUNISPWMXIZ-IIAWOOMASA-N 322.409 -0.549 30 20 DBED CC1(CC(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@H]2O)CCCC1 1192647713 MVIISAYSKMGJSK-CHWSQXEVSA-N 322.409 -0.242 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)CCCn2ccnn2)C1 1193677911 LQTKOSABOQNRPL-ZIAGYGMSSA-N 323.397 -0.578 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)c2c(C)ncn2C)C1 1193947301 MPWJGOWDSBOXSF-CHWSQXEVSA-N 308.382 -0.294 30 20 DBED CN(CC(=O)NCC#N)[C@H]1CCN(C(=O)C[C@@H]2CCCOC2)C1 1194060998 RPGKEFVKSZPTCB-KBPBESRZSA-N 322.409 -0.024 30 20 DBED CC#CCCCC(=O)N[C@@H]1CN(CC(=O)N2CCC2)C[C@H]1O 1195467952 YTSOSRVGCSAOPS-ZIAGYGMSSA-N 307.394 -0.426 30 20 DBED C#CCCCCC(=O)N1CCCN(CC(=O)NC(N)=O)CC1 1195540494 BSWHVKQCSNBERZ-UHFFFAOYSA-N 308.382 -0.091 30 20 DBED CCC(=O)N[C@H](C)C(=O)N1CCCN(CC(=O)NCC#N)CC1 1195926482 OTHHKWQQMMWNFF-GFCCVEGCSA-N 323.397 -0.925 30 20 DBED CCc1nc[nH]c1C(=O)N1CCCN(CC(=O)NCC#N)CC1 1197984631 LABAKJQXTGDMNW-UHFFFAOYSA-N 318.381 -0.240 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(Cc2cn(C)nn2)C[C@H]1O 1199292877 VZURWYYILXWNFE-CHWSQXEVSA-N 309.370 -0.931 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H](NC(C)=O)C(C)(C)C)C1 1199505829 MPRAJBBMUBMHJO-MGPQQGTHSA-N 309.410 -0.278 30 20 DBED Cc1ccnc(C(=O)N2CCC(NCC(=O)NCC#N)CC2)n1 1200341707 XOTLIEPOSCGKRJ-UHFFFAOYSA-N 316.365 -0.381 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)[C@H]2CCC(=O)NC2)CC1 1201399645 KDNDMDPJKKKVFM-LBPRGKRZSA-N 322.409 -0.605 30 20 DBED C#CCNC[C@H]1CN(C(=O)CC(=O)NCC2CC2)CCCO1 1201823245 IBTTXZJSHNZDGS-AWEZNQCLSA-N 307.394 -0.257 30 20 DBED COCC#CCN[C@@H]1C[C@H](NC(=O)Cn2nccn2)C12CCC2 1202961139 VIQXFFYSOUKMGN-KGLIPLIRSA-N 317.393 -0.055 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)[C@H]2OCC[C@H]2CC)[C@H](C)C1 1207597526 WNSXXLQYIXSXFQ-KQTLUZQSSA-N 321.421 -0.013 30 20 DBED CN1CCCC[C@@H]1C(=O)N1CCC[C@H](NCC(=O)NCC#N)C1 1208424415 YLTMCOBRALQUQS-UONOGXRCSA-N 321.425 -0.309 30 20 DBED CC#CCN[C@@H]1CCCN(C(=O)[C@H](CCC(N)=O)NC(C)=O)C1 1210154378 KHZDCBBZJFRHJN-KGLIPLIRSA-N 322.409 -0.640 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCN(C(=O)c2ccncn2)C1 1210197963 FXDJHBVIDPYZHV-LLVKDONJSA-N 302.338 -0.689 30 20 DBED CCN1CC[C@H](N2C[C@@H](NC(=O)C#CC3CC3)[C@H](OC)C2)C1=O 1212251270 UUSQEWKMRKGQTO-QLFBSQMISA-N 319.405 -0.164 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)Cc2ccn(C)n2)C[C@H]1C 1214588222 XAAPPWGDHPMSAE-TZMCWYRMSA-N 317.393 -0.852 30 20 DBED C#CCCN[C@@H]1CN(C(=O)CCCN2C(=O)CNC2=O)C[C@H]1C 1216724679 IYJBNDVKTNEFAN-CHWSQXEVSA-N 320.393 -0.222 30 20 DBED C#CCCCC(=O)N1CCO[C@@H]2CN([C@H]3CCNC3=O)C[C@@H]21 1217758345 KILDFBWPWVUDID-MELADBBJSA-N 305.378 -0.410 30 20 DBED COCCOCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)C#CC1CC1 1217835013 OFJKXEBZFIAOLW-JKSUJKDBSA-N 322.405 -0.026 30 20 DBED C=CC(C)(C)CC(=O)N[C@@H]1CN(CCS(C)(=O)=O)C[C@@H]1O 1219706648 JAEMLLHHSJFPDM-NEPJUHHUSA-N 318.439 -0.205 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)[C@@H](C)OCCOC)C1 1220465815 VBDRQKMLZWNPHM-MCIONIFRSA-N 316.398 -0.598 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)[C@H](C)C2CCOCC2)C1 1221197337 WETZNZZLDUATON-BMFZPTHFSA-N 324.421 -0.140 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CCN(C(=O)[C@@H]3CCOC3)C[C@@H]21 1222362607 PINUZQALDIUYOA-KFWWJZLASA-N 319.405 -0.305 30 20 DBED CC(C)[C@@H](O)C(=O)N1CC[C@H]2CCN(CC(=O)NCC#N)[C@H]2C1 1222622380 QNQFAVCXPJBKAF-VNHYZAJKSA-N 322.409 -0.434 30 20 DBED C#CCN1CCC(CNC(=O)CCCn2c(O)nnc2O)CC1 1223686597 GOKBLVPPSZDQLF-UHFFFAOYSA-N 321.381 -0.069 30 20 DBED C=CCNC(=O)CN1CC[C@H]1CN(C)C(=O)C[C@@H]1COC(=O)C1 1233610375 HZEOWCLZCUDNMM-STQMWFEESA-N 323.393 -0.226 30 20 DBED CC(C)C#CC(=O)N(C)C[C@H]1CCN1CCN1C(=O)CNC1=O 1234170743 MKKVSOFAAWDMPC-CYBMUJFWSA-N 320.393 -0.270 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N1CCC(O)(COC)CC1 1320017486 NHWXELUWCQMPLR-UHFFFAOYSA-N 320.411 -0.230 30 20 DBED C=C[C@@H](COC)NC(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1 1320295015 TYQQSXALGZKMSE-QWRGUYRKSA-N 305.400 -0.137 30 20 DBED C[C@@H](CNC(=O)C(=O)NCC#Cc1ccccc1)S(C)(=O)=O 1322885032 LKUCUOPDLCMLOE-LBPRGKRZSA-N 322.386 -0.296 30 20 DBED COC[C@@H]1CN(C(=O)C(=O)N2CC[C@@](F)(C#N)C2)C[C@H](C)O1 1325084318 PEHVVPIZYUUGEX-COPLHBTASA-N 313.329 -0.287 30 20 DBED C=CCn1cc(CNC(=O)NCC2(O)CCN(C)CC2)nn1 1325946623 CYKNXISOOBHLOY-UHFFFAOYSA-N 308.386 -0.280 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N[C@@H]1CC(=O)N(C(C)C)C1 1326174184 VYRIQIFGLZEKDN-GFCCVEGCSA-N 311.382 -0.227 30 20 DBED CC#CC[C@H](CO)NC(=O)CCc1nc(O)c2cnn(C)c2n1 1326676228 PWHYMDKPLQRJRG-SNVBAGLBSA-N 317.349 -0.108 30 20 DBED N#CC[C@@H]1CCCN(C(=O)C(=O)NCCCN2CCOCC2)C1 1327892051 NJBWOJHHZPJNEW-AWEZNQCLSA-N 322.409 -0.023 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@@H]1CCN(C(C)=O)C1)[C@H]1CCCO1 1331076957 HNTMKXYQDDMRGX-FRRDWIJNSA-N 307.350 -0.980 30 20 DBED N#CCCN1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 1331112420 WCHDBTTYFOKMOS-CYBMUJFWSA-N 308.342 -0.317 30 20 DBED CCN1CC[C@@H](NC(=O)C(=O)Nc2cccc(C#N)n2)C1=O 1335850377 CLKSYDHCBIAMGR-SNVBAGLBSA-N 301.306 -0.371 30 20 DBED N#CCCNC(=O)CN1CCC(C(=O)N2CCOCC2)CC1 1337518260 PWVLQLJVXXQBAO-UHFFFAOYSA-N 308.382 -0.413 30 20 DBED C=C(CC)CNC(=O)C(=O)N1CCN(c2nc(N)ns2)CC1 1345397402 KLCVRJFEYVSVIG-UHFFFAOYSA-N 324.410 -0.149 30 20 DBED N#CCCCNC(=O)C(=O)NCCc1cccc(C(N)=O)c1 1345770421 XRBJDWRBHDTTSS-UHFFFAOYSA-N 302.334 -0.136 30 20 DBED C=C(C)COCCNC(=O)C(=O)N1CCC2(CCNC2=O)CC1 1349372736 VEJKJOZLQDIJNG-UHFFFAOYSA-N 323.393 -0.176 30 20 DBED O=C(CCC(=O)N1CCC(O)CC1)N[C@H]1CCCN(O)C1=O 1349811000 FLHLOKIEEXHDNH-NSHDSACASA-N 313.354 -0.754 30 20 DBED CC(=O)N1CC[C@@H](NC(=O)C(=O)NCC#Cc2ccccc2)C1 1351165103 FDRXJKGBRQXXAK-OAHLLOKOSA-N 313.357 -0.109 30 20 DBED CCN(CC)C[C@@H](C)NC(=O)Cn1cc(C#N)c(O)nc1=O 1362243508 SSFZPAUUQPZEDC-SNVBAGLBSA-N 307.354 -0.333 30 20 DBED C[C@@H]1CN(C(=O)Cn2cc(C#N)c(O)nc2=O)CC[S@@](=O)C1 1362921461 GAWPEZHAEMHQMK-PVBMHHQDSA-N 324.362 -0.952 30 20 DBED CC[C@@H](C)[C@@H](CNC(=O)Cn1cc(C#N)c(O)nc1=O)OC 1363297775 HANJVOBEDQASIO-MWLCHTKSSA-N 308.338 -0.002 30 20 DBED CN1CCN(C(=O)CNS(=O)(=O)c2cncc(C#N)c2)CC1 1365737185 UTCGAASPBGWUAE-UHFFFAOYSA-N 323.378 -0.994 30 20 DBED CCCC[C@H](CNC(=O)[C@@H](C)C#N)NC(=O)CS(C)(=O)=O 1370057107 JNDZBTFFBBNNCG-WDEREUQCSA-N 317.411 -0.018 30 20 DBED C=C(Cl)CN[C@H]1CCN(C(=O)CCNS(C)(=O)=O)C1 1371509163 YUJHXGCEZBPSEO-JTQLQIEISA-N 309.819 -0.131 30 20 DBED Cn1cnc(C(=O)NC[C@@H](O)CNCc2ccc(C#N)cc2)n1 1374601377 IVVMDMVXLMPSNP-ZDUSSCGKSA-N 314.349 -0.433 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(C1)CN(C(=O)[C@@H](C)CC(N)=O)C2 1383616775 XRMUNTHKKVPGGJ-QWRGUYRKSA-N 306.366 -0.282 30 20 DBED C[C@H](CNC(=O)c1c[nH]c(C#N)c1)NC(=O)c1ncn(C)n1 1386229762 KIGLYZDOGQUBFR-MRVPVSSYSA-N 301.310 -0.437 30 20 DBED C[C@H](C#N)C(=O)NCC1CN(C(=O)C[C@@H]2CCN(C)C2=O)C1 1389923878 QPMBLUABLJPNNM-PWSUYJOCSA-N 306.366 -0.411 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)[C@H]2CCC(=O)N2)CCCC1 1390730737 WIKJVALSIRAJAJ-GHMZBOCLSA-N 306.366 -0.030 30 20 DBED C[C@@H](C#N)C(=O)NCC1CN(C(=O)c2ccn(C)c(=O)c2)C1 1409176403 YTPUOCWZXSDUPG-JTQLQIEISA-N 302.334 -0.267 30 20 DBED CC(=O)N(C)CC(=O)NC[C@H](C)CNC(=O)c1c[nH]c(C#N)c1 1409653616 JXIPBTUZSOFOGW-JTQLQIEISA-N 319.365 -0.153 30 20 DBED C[C@H](C#N)C(=O)N1CCC(N(CCO)C(=O)c2cnn[nH]2)CC1 1414344129 QJMCABSNVDLBKT-SNVBAGLBSA-N 320.353 -0.610 30 20 DBED Cc1noc(CNC[C@@H](O)CN(C)C(=O)c2cc(C#N)c[nH]2)n1 1423437618 UWFOKDYBEKLFFI-LLVKDONJSA-N 318.337 -0.200 30 20 DBED CN(CCNC(=O)CCn1cnnn1)c1ccncc1C#N 1439244340 NUSGOUAUYMIAJT-UHFFFAOYSA-N 300.326 -0.418 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C(=O)CN(C)C(=O)C2CC2)CC1 1453496139 YLNJUZWCCQMFKZ-LLVKDONJSA-N 306.366 -0.315 30 20 DBED N#Cc1ncn(CCNC(=O)N[C@@H]2CCCN(CCCO)C2)n1 1470105774 ZFNBJWBZCJUZMQ-GFCCVEGCSA-N 321.385 -0.704 30 20 DBED CCn1ccc(CC(=O)NCCn2cc(C#N)c(O)nc2=O)n1 1470361836 YLEFMNUISCBLTB-UHFFFAOYSA-N 316.321 -0.604 30 20 DBED C=C(Br)CNC[C@@H](O)CNC(=O)c1cn[nH]c1 1482711258 LTNYRHNCEXIPCW-SECBINFHSA-N 303.160 -0.001 30 20 DBED CCN(CCC#N)C(=O)CNC[C@@H](C)NC(=O)c1cn(C)cn1 1483120907 RNADOICIHHZLAO-GFCCVEGCSA-N 320.397 -0.110 30 20 DBED CCN(CCC#N)C(=O)CNC[C@H](C)NC(=O)c1ncn(C)n1 1483225521 IMYVTBLBHRFYFX-NSHDSACASA-N 321.385 -0.715 30 20 DBED C[C@@H](CN(C)C(=O)c1cccn2nnnc12)NC(=O)[C@@H](C)C#N 1487789511 MGFRDNDADRQMND-UWVGGRQHSA-N 315.337 -0.139 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)CCc2cnc[nH]2)C1 1489592166 KJVRRLQJHRGTSB-JLLWLGSASA-N 305.338 -0.810 30 20 DBED CCN1C[C@@H](C(=O)N(CC)CCNC(=O)[C@@H](C)C#N)CC1=O 1496937639 JOJDVGYGLYWFMQ-RYUDHWBXSA-N 308.382 -0.021 30 20 DBED CC[C@@H](CNC(=O)CCn1cnccc1=O)NC(=O)[C@@H](C)C#N 1531452962 UOHVTRPCTADFIA-RYUDHWBXSA-N 319.365 -0.196 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@@H](CCNC(=O)CNC(=O)O)C1 1573311146 ICYNTCUQZSQALC-NWDGAFQWSA-N 324.381 -0.780 30 20 DBED C[C@]1(C#N)CN(S(=O)(=O)c2n[nH]cc2C(=O)O)CCO1 1573590833 XLSLALVGPQKAOT-JTQLQIEISA-N 300.296 -0.589 30 20 DBED C=CCCC[C@@H](N)C(=O)N1CCOC[C@@H]1CNS(C)(=O)=O 1574903982 YWLWZOCDVJOAIE-NWDGAFQWSA-N 319.427 -0.553 30 20 DBED C=CCN1CC[C@H](N(C)S(=O)(=O)[C@H]2CCCNC2)C1=O 1574937429 WXFOMITWFQRMLE-RYUDHWBXSA-N 301.412 -0.213 30 20 DBED C=CCN(C)C[C@H](O)CN(C)C(=O)[C@H](C)OCc1cnn[nH]1 1575100815 XJXMDJRMLGZLDE-AAEUAGOBSA-N 311.386 -0.353 30 20 DBED C#CCN(CC(=O)O)c1nnc(C[C@H](C)O)n1C[C@@H]1CCOC1 1588427338 UOOPIJXPHAEJOI-RYUDHWBXSA-N 322.365 -0.238 30 20 DBED C#CCN1CCC[C@H](NC(=O)NC2CCN(CC(=O)O)CC2)C1 1588430064 GZFIJQVRDOFLQV-AWEZNQCLSA-N 322.409 -0.068 30 20 DBED CCN(CCC#N)S(=O)(=O)N[C@@]1(CC(=O)O)CCOC1 1596300121 OLDORHGNNVQJCK-LLVKDONJSA-N 305.356 -0.310 30 20 DBED COC(=O)CN(CC#N)S(=O)(=O)CCCCCC(=O)O 1598861347 VRWWRVLWMSTGQB-UHFFFAOYSA-N 306.340 -0.040 30 20 DBED Cn1cc(C#N)c(NC(=O)CN2CCC[C@H](C(=O)O)C2=O)n1 1600927570 SISXVTXWAKJQIG-VIFPVBQESA-N 305.294 -0.447 30 20 DBED CCC[C@@H](O)[C@@H](CO)Nc1cnc(C#N)c(-c2nn[nH]n2)n1 1604145831 YEPLLZVKVPWKNY-RKDXNWHRSA-N 304.314 -0.538 30 20 DBED Cc1nnc(S(=O)(=O)Cc2ccc(C#N)cc2)n1CC(N)=O 1645550184 SJAJGNAVTZSYHQ-UHFFFAOYSA-N 319.346 -0.083 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2ccn(CC)n2)C1 1661352660 FVAKUVBUKHEENJ-LBPRGKRZSA-N 303.366 -0.544 30 20 DBED Cc1ccnn1CC(=O)NCCCN(C)CC(=O)NCC#N 1752076389 SEVJTCQSVCNDCJ-UHFFFAOYSA-N 306.370 -0.731 30 20 DBED CCn1cc(C(=O)N[C@H]2CCCN(CC(=O)NCC#N)C2)nn1 1752330061 VANQZVWQMCFMJS-NSHDSACASA-N 319.369 -0.868 30 20 DBED C=CCCNC[C@H]1CCN(C(=O)CN2C(=O)CN(C)C2=O)C1 1752973070 LKKOAXCTOXIIFS-GFCCVEGCSA-N 308.382 -0.105 30 20 DBED C#CCNC(=O)[C@H](C)N(C)CCNC(=O)C[C@@H]1CCCC(=O)N1 1753054233 GGZLAKBBNYBQOF-STQMWFEESA-N 322.409 -0.769 30 20 DBED C#CCCN1CCC[C@H]1CNC(=O)CNS(=O)(=O)CC 1753106937 VNPNKLBMVOIHOH-LBPRGKRZSA-N 301.412 -0.470 30 20 DBED N#CCNC(=O)CN1CCC[C@H]1CNC(=O)Cc1ccc[nH]1 1753115671 MFMYPQVQUVWCGA-ZDUSSCGKSA-N 303.366 -0.222 30 20 DBED C#CCNC(=O)CN(CCNC(=O)c1ccnn1C)C1CC1 1753150145 ABQACXPMXGGFNZ-UHFFFAOYSA-N 303.366 -0.636 30 20 DBED C=CCNC(=O)NC(=O)CN1CC(NC(=O)[C@H]2CC23CCC3)C1 1753388351 AWDAJBLRKYCGCL-GFCCVEGCSA-N 320.393 -0.011 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)CC(C)(C)O 1753420062 KTSHHRZNZDSAKK-AVGNSLFASA-N 307.394 -0.430 30 20 DBED C#CCN1CCC(C(=O)NC[C@@H](C)CN[C@@H](C)C(=O)NC)CC1 1753645004 QFLYWKAWLWECLK-KBPBESRZSA-N 322.453 -0.192 30 20 DBED CCN(CCNC[C@H](O)CN1C(=O)CCC1=O)C(=O)[C@H](C)C#N 1754039329 UNTOZZPUWDTYGQ-NEPJUHHUSA-N 324.381 -0.906 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@@H](C)NC(=O)c1ccc(O)nn1 1754217439 NBRSHYFEGYQVDU-ZJUUUORDSA-N 305.338 -0.972 30 20 DBED C#CCNC[C@H]1CCCC[C@H]1NC(=O)CN1C(=O)CNC1=O 1754350682 DZJUNENVTHHKNM-VXGBXAGGSA-N 306.366 -0.564 30 20 DBED C#CCN1CCC(C)(NC(=O)CN2CCCS2(=O)=O)CC1 1754626914 RQSSYMVZVBZSLH-UHFFFAOYSA-N 313.423 -0.374 30 20 DBED C#CCCN1CC[C@](O)(CNC(=O)[C@@H](CC(C)C)C(N)=O)C1 1754762471 QQAGDHPFONUHOH-BBRMVZONSA-N 309.410 -0.290 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2CN(CCn3cncn3)C[C@@H]2C1 1754842208 NXBOYMAXRKTSMI-SOUVJXGZSA-N 317.393 -0.293 30 20 DBED C#CCNCCN(CCO)C(=O)c1ccc(-n2cnnn2)cc1 1754897155 GSFXZDQSYNLGQG-UHFFFAOYSA-N 314.349 -0.680 30 20 DBED COCC#CCN1CCOC[C@H]1CNC(=O)CCc1cnc[nH]1 1754967660 MHPHFDNOKWKVGT-OAHLLOKOSA-N 320.393 -0.191 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@H]1CCC2(CN(CC(N)=O)C2)O1 1755054473 OLDOOGKXRGMZLS-BXUZGUMPSA-N 311.382 -0.852 30 20 DBED C#CCNC(=O)CN(C)[C@H](C)CNC(=O)c1[nH]c(O)nc1C 1755303759 PNEBFHIUFXMSTC-SECBINFHSA-N 307.354 -0.777 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC([C@@H](C)NC(=O)CC(C)(C)O)C1 1755374315 QLPQYSREQKCJME-VXGBXAGGSA-N 309.410 -0.278 30 20 DBED COCC#CCN[C@@H](CO)CNC(=O)c1noc2c1COCC2 1755648149 ZBMCUJBONZTFLD-LLVKDONJSA-N 323.349 -0.923 30 20 DBED C[C@H](NC(=O)CCn1ccnn1)[C@H](C)NC(=O)CSCC#N 1755964367 FICHXKKYZPFBTE-QWRGUYRKSA-N 324.410 -0.066 30 20 DBED C#Cc1cncc(C(=O)N[C@@H](CO)CNC(=O)c2cc[nH]c2)c1 1756527168 CVULSADHQBMLED-CQSZACIVSA-N 312.329 -0.088 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H](CO)CNC(=O)c1cc(F)c[nH]1 1756536872 SAMCSLUVPARZSF-GXSJLCMTSA-N 313.329 -0.048 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@H](NC(=O)Cc2cccnc2)C1 1757165990 IYMZDLHOCZSOID-CABCVRRESA-N 315.373 -0.029 30 20 DBED CCn1nncc1C(=O)N1C[C@H](O)[C@H](NC(=O)C#CC(C)C)C1 1757171321 OFWUMFWCFBUXLL-YPMHNXCESA-N 319.365 -0.741 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H]1CCN(C(=O)CNC(C)=O)[C@@H]1CC 1757442943 SMIACXMQYJXWFR-KWCYVHTRSA-N 323.393 -0.344 30 20 DBED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccnn3C)[C@H]2C1 1786078484 RJVAKFAFKYFVGS-OBJOEFQTSA-N 316.361 -0.353 30 20 DBED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccn3)C[C@@H]21 1790790809 JTENESWMCUKGTQ-OBJOEFQTSA-N 314.345 -0.297 30 20 DBED CCNC(=O)N[C@H](C)C(=O)N1CCCC12CN(C(=O)CC#N)C2 1844228930 WYWJIPWOMYBANP-LLVKDONJSA-N 321.381 -0.189 30 20 DBED C#CC(=O)N1CCCC12CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1845959459 SQHXENZWGPGZEM-UHFFFAOYSA-N 303.278 -0.232 30 20 DBED N#CCCNC(=O)COC(=O)Cn1nnc2ccccc2c1=O 16275143 FOXZZNMLGLHCOP-UHFFFAOYSA-N 315.289 -0.635 30 20 DBED CNS(=O)(=O)c1ccc([C@H](C)NCC(=O)NCC#N)cc1 181043832 HYSRGQSVWFPDSA-JTQLQIEISA-N 310.379 -0.115 30 20 DBED CNC(=O)[C@H]1CN(CC(=O)NC2(C#N)CCCCC2)CCO1 184044966 MHSPHSVIRJSMBN-GFCCVEGCSA-N 308.382 -0.224 30 20 DBED C[C@H](CS(C)(=O)=O)NS(=O)(=O)c1cccnc1C#N 235467780 UPQOVXKQTWIRJZ-MRVPVSSYSA-N 303.365 -0.335 30 20 DBED C/N=C(/NC[C@@H]1CN(C)CCN1C)N[C@@H]1CN(C2CC2)C[C@@H]1C 261960980 KDLHYHATUFVULJ-NUEKZKHPSA-N 322.501 -0.120 30 20 DBED C#CC(C)(C)NC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 265221847 NUKCLNLCAONUNT-CYBMUJFWSA-N 307.394 -0.305 30 20 DBED COC[C@](C)(NCC(=O)N(CCC#N)CCC#N)C(=O)OC 271183123 IDRHXBZTXHJBSN-AWEZNQCLSA-N 310.354 -0.190 30 20 DBED C#CCOc1cccc(NC(=O)C(=O)N2C[C@H](O)[C@H](O)C2)c1 277619257 WAFGLMUROQYDOM-BETUJISGSA-N 304.302 -0.799 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCN(c2ncccn2)CC1 283606776 UCCWCJMAMOKQIL-LBPRGKRZSA-N 324.410 -0.065 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCC(C)(C)COC)C1=O 293685164 JPOIGDZNXYIOSP-UHFFFAOYSA-N 311.338 -0.248 30 20 DBED Cn1nncc1/C(O)=N/C[C@@H]1CCC[C@H]1NS(C)(=O)=O 328636593 CMJBKQYVGWZLSM-DTWKUNHWSA-N 301.372 -0.162 30 20 DBED C[C@@H](/C(O)=N/CCNC(=O)c1cc[nH]n1)N1CCN(C)CC1 329346249 RHLGXXYJKOFYQE-NSHDSACASA-N 308.386 -0.268 30 20 DBED CS(=O)(=O)N1CC[C@@H](C/N=C(/O)NC2(CO)CCC2)C1 329788534 RWWFLSNBPRNWOX-JTQLQIEISA-N 305.400 -0.314 30 20 DBED CN(C)c1ncc(N=C(O)N2CCn3c(O)nnc3C2)cn1 329997192 QBRAIVCSHZRTLX-UHFFFAOYSA-N 304.314 -0.099 30 20 DBED CNC(=O)[C@@H]1CCC[C@@H]1N/C(O)=N/[C@@H](C)CS(C)(=O)=O 330576401 OQACSLKWUQBQPX-AEJSXWLSSA-N 305.400 -0.162 30 20 DBED CC[C@H](C)NC(=O)[C@H]1CSCN1C(=O)Cn1cnc(C#N)n1 331178102 XWNRLERQVNYBQE-VHSXEESVSA-N 322.394 -0.034 30 20 DBED CCNC(=O)C/N=C(/O)N[C@@H](CC)C(=O)N1CCOCC1 331218870 XJQVFCADFSGLNR-JTQLQIEISA-N 300.359 -0.737 30 20 DBED CNS(=O)(=O)CC/N=C(/O)N[C@@H](C)c1cnn(C)c1C 331255626 AMWORAMCDPBXPR-QMMMGPOBSA-N 303.388 -0.158 30 20 DBED CC(C)(CCCO)CNS(=O)(=O)N1CCO[C@@H](C#N)C1 336953954 XCWNORFLSDZXMN-NSHDSACASA-N 305.400 -0.156 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)NCCCO[C@@H]2CCOC2)CCO1 336956240 ZEWABZHKODHKFD-VXGBXAGGSA-N 319.383 -0.759 30 20 DBED CCCN(CC#N)C(=O)CNS(=O)(=O)c1cn(C)c(C)n1 338865105 CJMQDEWWPGOJGF-UHFFFAOYSA-N 313.383 -0.231 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(CCOC)C2CC2)C1=O 339409141 WHTUJZSONIIMQD-UHFFFAOYSA-N 309.322 -0.399 30 20 DBED N#Cc1cnc(C(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)c(Cl)c1 344111437 XSSRCEGGEUICHD-VIFPVBQESA-N 319.708 -0.017 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H](CO)C(C)C)C1=O 345980883 CDYCAPRQVVEGTI-JTQLQIEISA-N 311.338 -0.656 30 20 DBED C[C@@H]1[C@@H](C)[S@](=O)CCN1C(=O)NCCn1cnc(C#N)n1 347611731 KZBDKAQRXCRCJG-FDXSBTRWSA-N 310.383 -0.299 30 20 DBED C=CCOC[C@H](NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]21)C(=O)OC 356334723 CKSSPSCFPFBOGD-QNWHQSFQSA-N 313.350 -0.102 30 20 DBED COC(=O)CCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N 359137227 GGYRRQRRAGRLRW-UHFFFAOYSA-N 321.337 0.128 30 20 DBED CNS(=O)(=O)[C@@H]1CCCN([C@@H](C)C(=O)N(C)CCC#N)C1 365276533 WVQXTWUVXUWCAF-NWDGAFQWSA-N 316.427 -0.239 30 20 DBED N#C[C@@H]1CC[C@H](N2CCN(C(=O)C(=O)N3CCOCC3)CC2)C1 407986629 ATGCTOSCXZSXTN-KGLIPLIRSA-N 320.393 -0.318 30 20 DBED C#CCN1CCN(C(=O)CN2CCS[C@H]3COCC[C@H]32)CC1 490831649 WLKBCUJPAADVSL-CABCVRRESA-N 323.462 -0.030 30 20 DBED C#CCN(CC#N)C(=O)COCC(=O)NCc1cccnc1 490961758 JPVRYMCVQWTZOK-UHFFFAOYSA-N 300.318 -0.300 30 20 DBED C#CCNC(=O)C1CCN(C(=O)NCCOCCN(C)C)CC1 491772039 PPUDBEOCKAYWSN-UHFFFAOYSA-N 324.425 -0.264 30 20 DBED CCOC[C@@H]1CN(C(=O)NCCn2cnc(C#N)n2)CCO1 527936213 XDSRYFQHUWJLHC-NSHDSACASA-N 308.342 -0.403 30 20 DBED Cc1nc(O)c(C#N)c(C)c1CCC(=O)N[C@H]1CN(C)NC1=O 539780246 GYPDEDIGCZFZBN-LBPRGKRZSA-N 317.349 -0.330 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N(CCN(C)C)CCN(C)C 554661848 JSTIJEZNTHKDSP-ZDUSSCGKSA-N 319.475 -0.110 30 20 DBED COC(=O)c1cn(CCNC(=O)c2ccc(C#N)cn2)nn1 560123077 BWPIJVBZSWEZCD-UHFFFAOYSA-N 300.278 -0.239 30 20 DBED N#CC1(CS(=O)(=O)N2CC[S@@](=O)C[C@@H]2C(=O)O)CC1 562322489 SDNQSNDQVNSBST-NTCNTBNZSA-N 306.365 -0.863 30 20 DBED Cc1nc(C(=O)N(C)CC(=O)N2CCNCC2)ccc1C#N 573333835 DRCBGBMYRLKXHG-UHFFFAOYSA-N 301.350 -0.235 30 20 DBED CC[C@@H](C)N(C)CCNC(=O)C(=O)NC1CCN(CC#N)CC1 586870436 QJDWZRCKKHHAIO-CYBMUJFWSA-N 323.441 -0.063 30 20 DBED N#Cc1ccc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1 594874749 SSELBOCRKFXCAH-AAEUAGOBSA-N 320.374 -0.509 30 20 DBED N#Cc1ccncc1N1CCN(C(=O)C2(n3cnnn3)CC2)CC1 597688912 HDPPOLFDSPYARC-UHFFFAOYSA-N 324.348 -0.222 30 20 DBED CN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@H]1COCCN1 599961110 ATVWSGLDFSQJDC-AWEZNQCLSA-N 316.361 -0.379 30 20 DBED N#Cc1ccc(F)c(CS(=O)(=O)N[C@H]2COC[C@H]2O)c1 601488416 YEORRAAKVXZRCF-NWDGAFQWSA-N 300.311 -0.124 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(CCC#N)CCOC)C1=O 609600057 QAWRGZOPUVBIAA-UHFFFAOYSA-N 322.321 -0.648 30 20 DBED CC[C@H](CC#N)NC(=O)N=c1nc(CS(C)(=O)=O)[nH]o1 613856046 LZMOGKMLQFJKMN-SSDOTTSWSA-N 301.328 -0.150 30 20 DBED CC#CC[C@H](CO)NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 627977466 PYVUBWFRTHSOAQ-NWDGAFQWSA-N 302.396 -0.452 30 20 DBED C=C[C@@](C)(O)C(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1 666413743 DCSXWNCDLSCXCV-MRXNPFEDSA-N 309.410 -0.064 30 20 DBED N#Cc1cccnc1NCCOC(=O)c1cn(CC(N)=O)nn1 744102995 JEZHBBJHJBPXKU-UHFFFAOYSA-N 315.293 -0.701 30 20 DBED Cn1cc(S(=O)(=O)NCCOC(=O)CSCC#N)cn1 744695262 JIAIPUMEVRGLSP-UHFFFAOYSA-N 318.380 -0.502 30 20 DBED C#C[C@H](NC(=O)CCN1CCCS1(=O)=O)[C@@H]1CCCO1 772891527 UXGPPHRBSZQZFN-RYUDHWBXSA-N 300.380 -0.291 30 20 DBED C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N[C@@H]1CNC(=O)C1 784867211 GILQPSCJUSRARC-UWVGGRQHSA-N 316.317 -0.079 30 20 DBED C#C[C@H](CCC)NC(=O)NCCS(=O)(=O)N1CCOCC1 791022040 GERGFAQAMJXPCY-GFCCVEGCSA-N 317.411 -0.251 30 20 DBED N#CC1(CS(=O)(=O)NC(=O)CCn2ccccc2=O)CC1 793203765 GXUKJTLOYWGBDS-UHFFFAOYSA-N 309.347 -0.012 30 20 DBED CN(C[C@@H](O)CN1CCOCC1)C(=O)[C@@](C)(C#N)CC(=O)O 820574289 NMJAKCJVEPSTAB-BXUZGUMPSA-N 313.354 -0.858 30 20 DBED CNC(=O)COc1cccc(CC(=O)N(CC#N)CC(=O)O)c1 830991987 WNAIQMWZPPHNRX-UHFFFAOYSA-N 319.317 -0.209 30 20 DBED C[C@H](OC(=O)[C@H]1CCS(=O)(=O)N1)C(=O)NC1(C#N)CCC1 845377058 XHFCMVPFEHPJDB-DTWKUNHWSA-N 315.351 -0.828 30 20 DBED C=CCC1(O)CCN(C(=O)NCC(=O)N2CCOCC2)CC1 884259747 YBVOCFJJSWTVON-UHFFFAOYSA-N 311.382 -0.042 30 20 DBED COCCN(C)CCN1C[C@H](N=c2cc[nH]c(C#N)c2)CC1=O 912219593 XSFKDHCNAANJHI-OAHLLOKOSA-N 317.393 -0.034 30 20 DBED N#CC1(CS(=O)(=O)NCCN2CCC3(C2)OCCO3)CC1 920099193 OQXCALZJVJDWHB-UHFFFAOYSA-N 315.395 -0.342 30 20 DBED C#CCN1CCC[C@@H](NC(=O)CS(=O)(=O)CCOC)C1 923581639 KOLUGONAXVEAEY-GFCCVEGCSA-N 302.396 -0.739 30 20 DBED N#C[C@@H]1CCCN(C(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)C1 928221028 NGXCNQJAXXFRSD-AXMVNOCNSA-N 317.345 -0.089 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CCN(C(=O)[C@H]3CNC(=O)N3)C2)C1 942363058 DGGINUDIJCWYDT-GHMZBOCLSA-N 306.366 -0.259 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H]2C[C@H]1[C@H]2NC(=O)c1nnn(C)n1 947770831 XECNWJWJPIOADQ-UTLUCORTSA-N 304.354 -0.249 30 20 DBED C#CCN1CCC(C(=O)N[C@H]2CCN(CC(N)=O)[C@@H](C)C2)CC1 948069300 FNJGKBLDIKGLDP-ZFWWWQNUSA-N 320.437 -0.214 30 20 DBED O=C1NC[C@@H](C(=O)N[C@H]2CCCN(C(=O)C#CC3CC3)C2)N1 950760941 BYYKPCQKHLSPQX-RYUDHWBXSA-N 304.350 -0.812 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H](NC(=O)c2cc(=O)n(C)cn2)C1 951870417 RZKKEWFEHIYCEC-WDEREUQCSA-N 317.349 -0.339 30 20 DBED N#Cc1cc(C(=O)N2[C@H]3CC[C@H]2CN(C(=O)C(N)=O)CC3)c[nH]1 952528820 USSDONHZJOXLKN-RYUDHWBXSA-N 315.333 -0.423 30 20 DBED C#Cc1ccc(C(=O)N(C)C2CN(C(=O)c3cnn[nH]3)C2)cn1 954911734 MZXUMEHWVXAWFK-UHFFFAOYSA-N 310.317 -0.222 30 20 DBED CC#CCN1C[C@H](CNC(=O)c2coc(C(N)=O)c2)[C@@H](O)C1 958281316 JQYJGGUIZWGXOF-RYUDHWBXSA-N 305.334 -0.576 30 20 DBED CC#CCN1C[C@@H](O)[C@@H](CNC(=O)C2CCN(C(N)=O)CC2)C1 958656891 AMAUIKHABFIBPG-UONOGXRCSA-N 322.409 -0.791 30 20 DBED Cc1cc(CC(=O)N(C)[C@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)no1 958757698 JKKMQXULJFFJOS-XDTLVQLUSA-N 320.349 -0.285 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cnccn1 959946734 JGZDUXIGUNUECR-KGYLQXTDSA-N 315.333 -0.312 30 20 DBED O=C(NC[C@@H]1COCCN1C(=O)C#CC1CC1)[C@H]1COCCO1 964092875 MLXFEOWXTBFOPC-ZIAGYGMSSA-N 322.361 -0.841 30 20 DBED C[C@H](C#N)C(=O)N1CC2(C[C@H](NC(=O)c3cc[nH]n3)CO2)C1 965633713 AMFFPBGAZKKSNV-ZJUUUORDSA-N 303.322 -0.331 30 20 DBED C[C@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)[C@@H]1CN(C)CCO1)C2 969807642 RVESVAADBMVZIV-RFGFWPKPSA-N 320.393 -0.322 30 20 DBED COCCN1C[C@H](C(=O)N2CC[C@H](N(C)CC#N)C2)CC1=O 971632675 GREUSXDOLQKSSP-OLZOCXBDSA-N 308.382 -0.462 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)C[C@@H]3CCC(=O)NC3)C2)C1 972408684 MGXOETLMTGRYQX-YOEHRIQHSA-N 319.405 -0.161 30 20 DBED CN1CC[C@@H](CC(=O)N2CC[C@@]3(CN(CC#N)CCO3)C2)C1=O 972423358 CNIQAJBPSUTSEV-XJKSGUPXSA-N 320.393 -0.318 30 20 DBED N#CCN1CCO[C@]2(CCN(C(=O)[C@H]3CCCC(=O)N3)C2)C1 972424634 KVLFXSJBCFAVFE-IUODEOHRSA-N 306.366 -0.518 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H]2[C@@H]3CN(C(=O)c4cnon4)C[C@@H]32)c1 976326416 FZXOALMSWKPWBN-GDGBQDQQSA-N 312.289 -0.230 30 20 DBED C#Cc1cncc(C(=O)N2C[C@H]3[C@H](NC(=O)c4nc[nH]n4)[C@H]3C2)c1 976985408 PFPOGCOAJDRQBU-ITGUQSILSA-N 322.328 -0.319 30 20 DBED C#CCN1C[C@H]2[C@H](CNC(=O)c3cn(C)c(=O)nc3O)[C@H]2C1 979066866 FQSZRQINTWSMKA-RTCCRHLQSA-N 302.334 -0.973 30 20 DBED C#CCN[C@@H]1CCC[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 981359166 CRXSOXDWSHIMJS-VXGBXAGGSA-N 318.377 -0.652 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](NC(=O)CN2CCCNC2=O)[C@H]1C 988888380 LPZNRAWAVXVJNU-UTUOFQBUSA-N 321.381 -0.333 30 20 DBED CC#CCN1CCCN(C(=O)CC[C@H]2NC(=O)NC2=O)CC1 989625397 HOOZUEFHHQFSRF-GFCCVEGCSA-N 306.366 -0.468 30 20 DBED N#Cc1ccc(C(=O)NC2CN(C(=O)c3cncnc3O)C2)[nH]1 990894757 YSWAQPVTYMUTPW-UHFFFAOYSA-N 312.289 -0.364 30 20 DBED C=CCn1cc(C(=O)NC2CN(C(=O)[C@H]3CCN(C)C3)C2)nn1 991675794 HDJBPGZFEHJZLP-NSHDSACASA-N 318.381 -0.644 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@]2(C)CCOC2)C1 994750098 GEZCOLLEESGTFK-YOEHRIQHSA-N 319.405 -0.162 30 20 DBED C#CCN1CC[C@H](n2cc(CNC(=O)c3[nH]nnc3C)nn2)C1 1000013025 GJFFPIYUNBAJTL-LBPRGKRZSA-N 314.353 -0.485 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(CNC(=O)c2cnn(C)n2)C1 1003236645 WDQFWQAAUARHFE-YPMHNXCESA-N 319.365 -0.406 30 20 DBED C#Cc1ccc(C(=O)NCC2CN(C(=O)CC(N)=O)C2)cn1 1003467756 LXHRMMGEIYBRFB-UHFFFAOYSA-N 300.318 -0.874 30 20 DBED C=CCCN1CCC(N(C)C(=O)CN2CCNC(=O)C2)CC1 1005814836 IUVKNBIBEOAQGG-UHFFFAOYSA-N 308.426 -0.083 30 20 DBED C#CCCN1CCC(N(C)C(=O)[C@@H]2CCS(=O)(=O)N2)CC1 1006424788 FAIAHPCVEJFANW-ZDUSSCGKSA-N 313.423 -0.376 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C(=O)c2cnc(N(C)C)cn2)CC1 1011172875 AMLCABWMTAVSLH-LLVKDONJSA-N 316.365 -0.013 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C(=O)[C@H]2CCc3nncn3C2)CC1 1011252794 FIRDXFFWINQIKE-NEPJUHHUSA-N 316.365 -0.329 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C(=O)CN2CCCCC2=O)CC1 1011451083 PMXVLOXUFUQXFW-GFCCVEGCSA-N 306.366 -0.171 30 20 DBED C[C@H]1C[C@H](NC(=O)Cn2ncnn2)CN1C(=O)C#CC1CC1 1012591998 YFWGWLYOSNYCCE-JQWIXIFHSA-N 302.338 -0.808 30 20 DBED C#Cc1cncc(C(=O)N2C[C@H](NC(=O)C(N)=O)CC[C@@H]2C)c1 1018377407 YLFWXPOPJLGCDQ-GXFFZTMASA-N 314.345 -0.343 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@H](N[C@@H]3CCC(=O)NC3=O)C2)[nH]1 1018730642 DQLOLKRDHDBMGP-WDEREUQCSA-N 315.333 -0.504 30 20 DBED COCC(=O)N1CCO[C@@H]2CCN(C(=O)C#CC3CC3)C[C@H]21 1019879636 MHGNTZJJJLYTPC-ZIAGYGMSSA-N 306.362 -0.126 30 20 DBED Cc1c(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2O)cnn1C 1023069455 KBWBOHXRPSXCQW-GGZOMVNGSA-N 305.338 -0.810 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1025709418 NQDAFQYAUQWWJQ-TUVASFSCSA-N 318.373 -0.321 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H]2CCN([C@@H]3CCNC3=O)C2)c1 1028470307 HGCWQSAOZLWCNZ-ZWNOBZJWSA-N 301.350 -0.173 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)c3ncn(C)n3)C2)C1=O 1030278447 LOSOYYXVUHSRAQ-LLVKDONJSA-N 304.354 -0.984 30 20 DBED C=CCn1cc(C(=O)NC2CN([C@H]3CCCN(C)C3=O)C2)nn1 1031070335 YXBAWKGILPZBCP-ZDUSSCGKSA-N 318.381 -0.501 30 20 DBED C=C(Cl)CN1C[C@@H]2C[C@H]1CN2C(=O)Cn1ccc(O)nc1=O 1032504123 JULASAGRSRSTEP-QWRGUYRKSA-N 324.768 -0.014 30 20 DBED CC#CCN1CCO[C@H](CNC(=O)c2cn(C)ccc2=O)C1 1035439980 JPPSIIULSWGADA-CYBMUJFWSA-N 303.362 -0.161 30 20 DBED COc1cc(O)ncc1C(=O)NC[C@H]1CN(CC#N)CCO1 1035518120 KIUVZVVJIHRIPQ-JTQLQIEISA-N 306.322 -0.250 30 20 DBED C=CCN1CCO[C@@H](CNC(=O)C2CCS(=O)(=O)CC2)C1 1035527369 QONMMZVRESRDMK-ZDUSSCGKSA-N 316.423 -0.186 30 20 DBED CC#CCN1CCO[C@@H](CNC(=O)c2cc(C(N)=O)ccn2)C1 1035632230 ZFNLDNHTLXBOKA-ZDUSSCGKSA-N 316.361 -0.366 30 20 DBED C=CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)c1coc(S(N)(=O)=O)c1 1037472809 QMPOOFGLBXDUKL-QRTLGDNMSA-N 311.363 -0.085 30 20 DBED C#CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1ccccc1OCC(N)=O 1037501458 JKGISTHIGREWJR-PVXIVEMSSA-N 313.357 -0.014 30 20 DBED C#CCCN1C[C@H]2C[C@H]1[C@H]2NC(=O)c1cn(C)c(=O)nc1O 1037716763 QWQYVXBPQJXNCL-USWWRNFRSA-N 302.334 -0.688 30 20 DBED C=CCN1CC[C@H](N2CC[C@@H]2CNC(=O)c2cn(C)nn2)C1=O 1038225266 FJZIHRFUQQFOKQ-YPMHNXCESA-N 318.381 -0.594 30 20 DBED CC#CCN1CC[C@H]1CNC(=O)c1nc(C)n(-c2nc[nH]n2)n1 1038561587 ZGKZOYYDRHEZLV-NSHDSACASA-N 314.353 -0.479 30 20 DBED CC(C)C#CC(=O)NC[C@@]1(O)CCN(C(=O)c2cnccn2)C1 1039663186 AZGUGUZNJPIJCE-INIZCTEOSA-N 316.361 -0.171 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@]1(O)CCN(C(=O)c2ncc[nH]2)C1 1039720748 DFQPLBVMLZXQPF-NHYWBVRUSA-N 320.349 -0.859 30 20 DBED C=CCCOCC(=O)N1CC(O)(CNC(=O)c2cnccn2)C1 1041262157 QRISBOHGHHCMKM-UHFFFAOYSA-N 320.349 -0.628 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)CCCOCC)C1 1041639727 ITBZJIGUAFSKGL-UHFFFAOYSA-N 314.382 -0.305 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCCN2C)C1 1042803255 VMZMVNKGUNVLJV-ZDUSSCGKSA-N 307.394 -0.426 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)c2ccc(O)nc2)C1 1042939836 GHIIFZMEXICUTM-UHFFFAOYSA-N 317.345 -0.250 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)C[C@@H]2C[C@H]2C)C1 1043036174 LLUDQYJAQQYUNY-OLZOCXBDSA-N 308.378 -0.238 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)[C@H](C)OCC=C)C1 1043039974 LIVAHJYDANLGJI-ZDUSSCGKSA-N 324.377 -0.693 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)c2cc(C)on2)C1 1043041816 KRBCYYAIYKRADX-LLVKDONJSA-N 321.333 -0.676 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)C[C@@H](C)NC(N)=O)C1 1043049048 VHMGIYLMGAMDSM-SNVBAGLBSA-N 312.370 -0.911 30 20 DBED COC1CC(C(=O)NCC2(O)CN(C(=O)C#CC(C)C)C2)C1 1043492367 UCGDHNGIUURUNZ-UHFFFAOYSA-N 308.378 -0.240 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)Cn2ccnc2)C1 1043709584 DXUZYGSBVJSWFK-UHFFFAOYSA-N 304.350 -0.768 30 20 DBED C=CCN[C@H]1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)[C@H](C)C1 1044626676 SFNNTXFNPAPPAL-OLZOCXBDSA-N 320.393 -0.298 30 20 DBED CC#CCCCC(=O)NCC1(O)CN(C(=O)c2ccn(C)n2)C1 1045003451 UJZVSDGIBNQREC-UHFFFAOYSA-N 318.377 -0.083 30 20 DBED C=CCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CC(=O)N(C)C2)C1 1045463026 UTJSDAMPXAWXDG-GFCCVEGCSA-N 323.393 -0.490 30 20 DBED COc1ccnc(C(=O)N2CC(O)(CNC(=O)[C@H](C)C#N)C2)c1 1045565109 RPJKEMPMQZXIDI-SNVBAGLBSA-N 318.333 -0.447 30 20 DBED C#CCN1CCC2(CC1)CO[C@H](CNC(=O)[C@@H]1COC(=O)N1)C2 1045669854 JMXMPGIBZNQGCQ-STQMWFEESA-N 321.377 -0.285 30 20 DBED C=CCN1CC[C@H](N2CCN(C(=O)c3c[nH]c(=O)cn3)CC2)C1 1046054024 GUSMHHJRBQWEKP-ZDUSSCGKSA-N 317.393 -0.212 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)C2CCC(C(N)=O)CC2)C1 1047436882 HNQLFCHLXFZCSX-HOAMVYINSA-N 309.410 -0.032 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2c(O)nnc(C)c2C)C1 1047482434 WFWRETALCWHFEM-STQMWFEESA-N 318.377 -0.061 30 20 DBED C#CCCCC(=O)N(C)[C@H]1CN(C(=O)[C@H](C)CC(N)=O)C[C@@H]1O 1048758090 XBHWHZIXLLTVFZ-AGIUHOORSA-N 323.393 -0.669 30 20 DBED C#CCO[C@H](C)C(=O)N(C)[C@H]1CN(C(=O)c2ccoc2)C[C@@H]1O 1048844948 VNHCFMNMUMHCSP-XBFCOCLRSA-N 320.345 -0.038 30 20 DBED CC#CCN1C[C@H]2CN(C(=O)Cn3ccc(O)nc3=O)C[C@H]2C1 1048922684 BWMHPAFMWROYCK-BETUJISGSA-N 316.361 -0.638 30 20 DBED COCC(=O)N1CCC[C@H](N(CCO)c2ccnc(C#N)n2)C1 1049131961 IAKNJGHHPPHPRF-LBPRGKRZSA-N 319.365 -0.216 30 20 DBED N#Cc1ccc(C(=O)NC[C@@H]2COCCN2Cc2cnon2)[nH]1 1050872641 QILSSZUMUIRDPS-GFCCVEGCSA-N 316.321 -0.100 30 20 DBED CC1(C)C[C@@H](NC(=O)C(N)=O)CCN(c2nccnc2C#N)C1 1051376169 CMJKAZBUNOVGRT-JTQLQIEISA-N 316.365 -0.055 30 20 DBED C#CCN1CCN([C@H]2CCN(C(=O)c3c[nH]c(=O)cn3)C2)CC1 1052071558 VTSIDHVKOHWLBY-ZDUSSCGKSA-N 315.377 -0.765 30 20 DBED N#CCN1CC2(C1)CN(C(=O)COc1cccnc1)CCO2 1053472113 LBWCZYFIWZPJAG-UHFFFAOYSA-N 302.334 -0.103 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)[C@H]3CCCC(=O)N3C)CO2)C1 1053997933 ZWAUMLMQXGYNOZ-UONOGXRCSA-N 319.405 -0.020 30 20 DBED N#CCSCC(=O)N1[C@H]2CC[C@@H]1C[C@H](CNC(=O)C(N)=O)C2 1054505425 RYDLZRQRNDDMCN-JGPRNRPPSA-N 324.406 -0.386 30 20 DBED C=C(C)CN[C@H]1CN(C(=O)Cn2ccc(O)nc2=O)C[C@@H]1C 1054874486 NHJGJOXQPLQNDJ-RYUDHWBXSA-N 306.366 -0.039 30 20 DBED N#Cc1nccc(N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)Cc2nc[nH]n2)n1 1055385425 LUAKRXSYXOFFDL-MXWKQRLJSA-N 324.348 -0.065 30 20 DBED N#Cc1nccnc1N1CCN(C(=O)c2cnnc(O)c2)CC1 1055932414 QZKIYNPUMWGPPE-UHFFFAOYSA-N 311.305 -0.194 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC[C@H]2[C@@H]1CCCN2C(=O)CC(N)=O 1056324004 JKABHEUSJRRWAR-MKBNYLNASA-N 323.393 -0.219 30 20 DBED N#Cc1nccnc1N[C@@H]1CCN(C(=O)[C@H]2CCNC(=O)C2)C1 1056599795 OTPUELBXEXEVSU-WDEREUQCSA-N 314.349 -0.113 30 20 DBED C=C[C@](C)(O)CC(=O)N(CCO)CCNC(=O)c1ncc[nH]1 1057449391 BDFDTWKVASEFHQ-AWEZNQCLSA-N 310.354 -0.713 30 20 DBED CC(C)(O)CC(=O)N(CCO)CCNC(=O)CSCC#N 1057460732 KPXIATCXEJRNLQ-UHFFFAOYSA-N 317.411 -0.659 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)c1cnsn1 1057517355 RLMDBKYKBMTZIU-UHFFFAOYSA-N 310.379 -0.252 30 20 DBED C#CCOCCC(=O)N(CCO)CCNC(=O)[C@@H](C)SC 1057581124 MCEFXJULRAKKIK-GFCCVEGCSA-N 316.423 -0.285 30 20 DBED Cc1nccn1CC(=O)N(CCO)CCNC(=O)C#CC(C)C 1057643554 BTBKUONOJGJKPR-UHFFFAOYSA-N 320.393 -0.212 30 20 DBED N#Cc1cnc(N2CC[C@H](NC(=O)CN3CCCC3=O)C2)cn1 1058308700 YKUBFPZNCBOAIM-NSHDSACASA-N 314.349 -0.334 30 20 DBED C[C@]1(C(=O)N[C@@H]2CCN(c3nccnc3C#N)C2)CNC(=O)C1 1058493782 CNHYJHUCYOBFIR-MEBBXXQBSA-N 314.349 -0.431 30 20 DBED N#Cc1cnc(N2CC[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)cn1 1058545238 RVWRAJOSBNJAEM-GDPRMGEGSA-N 300.322 -0.835 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)[C@H](C)c1cnn(C)c1 1058895232 SYWOCIPVNNPMRU-NWDGAFQWSA-N 321.381 -0.380 30 20 DBED Cc1cc(C#N)nc(NC[C@@H]2CCCCN2C(=O)C(N)=O)n1 1060299476 LVPOVZZICGROBX-NSHDSACASA-N 302.338 -0.065 30 20 DBED NC(=O)NCC(=O)NC[C@H]1CC[C@H](NC(=O)C#CC2CC2)CC1 1060729293 RQRGKIXKTAOMKD-JOCQHMNTSA-N 320.393 -0.141 30 20 DBED C=CCCCC(=O)N1CCOC[C@H]1CNC(=O)CNC(N)=O 1061269312 ODQGSMWQBXJQGF-LLVKDONJSA-N 312.370 -0.645 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)Cn1cccn1 1061284818 XCCURTKVGZOIGI-NWDGAFQWSA-N 305.338 -0.614 30 20 DBED C=CCOCC(=O)NC[C@@H]1COCCN1C(=O)Cn1cccn1 1061421409 OEEXHTAPSMGBRJ-CYBMUJFWSA-N 322.365 -0.571 30 20 DBED CC(C)C#CC(=O)NCC1(NC(=O)[C@H]2C[C@H]2C(N)=O)CCC1 1062960838 PCTNKSZXPKEKPD-NEPJUHHUSA-N 305.378 -0.078 30 20 DBED C=C[C@](C)(CC)C(=O)NC[C@@H]1CCC2(CN(C(=O)C(N)=O)C2)O1 1068623794 DXZBMSQRWJUXTB-XHDPSFHLSA-N 323.393 -0.050 30 20 DBED O=C(C#CC1CC1)N[C@H]1COC2(C1)CN(C(=O)c1nc[nH]n1)C2 1068860747 QPVRVVJRNGEVFH-LLVKDONJSA-N 315.333 -0.682 30 20 DBED C=CCCC(=O)N1CC2(C[C@@H](NC(=O)c3nc[nH]n3)CO2)C1 1068955422 ZJHKANIQGOKXEE-SNVBAGLBSA-N 305.338 -0.129 30 20 DBED CC(C)N(C)CC(=O)N1CC2(C[C@@H](NC(=O)[C@H](C)C#N)CO2)C1 1069003335 LTGMOPCAHWMCEI-CHWSQXEVSA-N 322.409 -0.028 30 20 DBED CC#CCN1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)C(N)=O)n1 1070598313 YNWPHVNTQKXLTL-RYUDHWBXSA-N 319.365 -0.581 30 20 DBED N#CCN1C[C@H]2C[C@H]3CN(C(=O)Cn4cncn4)C[C@@]3(C1)O2 1070887375 JAEABLMGYNWYPI-OUCADQQQSA-N 302.338 -0.897 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)[C@H](OC)C2CC2)CC1 1070960082 UURGFMNMIBEHAR-OAHLLOKOSA-N 307.394 -0.305 30 20 DBED CC#CCN1CCNC(=O)CCN(C(=O)c2ncccn2)CC1 1071009242 HLIKWQPSRRWGMN-UHFFFAOYSA-N 315.377 -0.236 30 20 DBED Cc1nc(CC(=O)N2C[C@H](C)O[C@@]3(CCN(CC#N)C3)C2)n[nH]1 1071166310 GIYRCNNFNIHGSF-XHDPSFHLSA-N 318.381 -0.129 30 20 DBED C#CCN1C[C@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)CC[C@H]1C 1072045218 PRACMUFEPFOJNR-VXGBXAGGSA-N 320.393 -0.081 30 20 DBED C#CCCN1CCCO[C@@H](CNC(=O)[C@H]2CCC(=O)N2C)C1 1073741627 WKJMBXWTKNPPOW-UONOGXRCSA-N 307.394 -0.162 30 20 DBED Cc1ncnc(O)c1C(=O)N1CC[C@H]2OCCN(CC#N)[C@@H]2C1 1074316941 HYPFWZPHAWFDCU-VXGBXAGGSA-N 317.349 -0.071 30 20 DBED C=C(C)CCC(=O)N[C@@H](C)CCNC(=O)Cn1ncn(C)c1=O 1077211011 BSJYPWLRICUAQK-LBPRGKRZSA-N 323.397 -0.051 30 20 DBED C#CCCCC(=O)N[C@@H](C)CCNC(=O)C[C@H]1CC(=O)NC1=O 1077318411 XHFUBFBAPPMVKH-RYUDHWBXSA-N 321.377 -0.146 30 20 DBED CC#CCCCC(=O)N1CC(N(CC)C(=O)[C@@H]2CNC(=O)N2)C1 1080386603 QTFNEOCAVPONET-ZDUSSCGKSA-N 320.393 -0.079 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)CCn2ccnn2)C[C@@H]1O 1081335838 PVOOPEKIGWKHLL-STQMWFEESA-N 321.381 -0.430 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@@H]1O 1081336257 WHCQYYUTDGFNCL-QWRGUYRKSA-N 309.366 -0.846 30 20 DBED N#CCSCC(=O)N1C[C@@H](O)[C@H](CNC(=O)C#CC2CC2)C1 1081468721 NIBXJZYCTUUWDG-CHWSQXEVSA-N 321.402 -0.408 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H](O)[C@H](CNC(=O)C(C)(C)C)C1 1081759634 CXRQCMRGMNPQGN-NEPJUHHUSA-N 323.393 -0.893 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1ccc(=O)n(C)c1 1083129760 CKBJLGNDRIQCEV-LSDHHAIUSA-N 315.373 -0.066 30 20 DBED N#CCN1CC[C@@H]2CN(C(=O)CCc3nnc(O)nc3O)[C@@H]2C1 1084480210 JNXCBOYHCXSQEB-MWLCHTKSSA-N 318.337 -0.728 30 20 DBED C=CCN1CC[C@H](N[C@@H]2CCCC[C@H]2NC(=O)C(N)=O)C1=O 1085317578 GVSRKKSCEWAHPL-UTUOFQBUSA-N 308.382 -0.724 30 20 DBED C#CCN[C@H]1CCCCCN(C(=O)Cn2c(O)nnc2O)C1 1088418018 DLNRWXDCDNNILM-NSHDSACASA-N 307.354 -0.317 30 20 DBED C=C(Cl)CN1CC[C@@H](NC(=O)c2cnn(C)c2N)[C@H](O)C1 1090216435 MZPBMUNPPVBYLN-GHMZBOCLSA-N 313.789 -0.080 30 20 DBED CN(C)CCC(=O)N[C@@H]1CN(c2ncc(C#N)cc2F)C[C@H]1O 1090525102 KLWXEVVUEOWDDM-CHWSQXEVSA-N 321.356 -0.290 30 20 DBED CC#CCN1CC[C@H](NC(=O)C2CCN(C(N)=O)CC2)[C@H](O)C1 1090793787 IAAUMAAZQNYULO-UONOGXRCSA-N 322.409 -0.648 30 20 DBED C=CCN1CC[C@H](NC(=O)c2cccc(C(N)=O)n2)[C@@H](O)C1 1090839881 SMWWCNREXVLTTA-GWCFXTLKSA-N 304.350 -0.469 30 20 DBED COc1nc(C)cc(N2C[C@H](O)[C@H](NC(=O)[C@@H](C)C#N)C2)n1 1091082306 CNDJFVJWPARIOB-GDPRMGEGSA-N 305.338 -0.381 30 20 DBED N#Cc1nc(=N[C@H]2C[C@@H](CNC(=O)Cn3ccnc3)C2)cc[nH]1 1091352491 VWGTYYYYKGUFIF-TXEJJXNPSA-N 311.349 -0.026 30 20 DBED C[C@@H](CS(C)(=O)=O)C(=O)NCCNc1cncc(C#N)n1 1093681956 WESVRPYGTRKGBS-VIFPVBQESA-N 311.367 -0.443 30 20 DBED CN1CC[C@H](CC(=O)NCCNc2ccc(C#N)nn2)C1=O 1093960846 NVUGMONZUFANCA-SNVBAGLBSA-N 302.338 -0.255 30 20 DBED C[C@@H](C(=O)NCCNc1cncc(C#N)n1)[C@@H]1CCC(=O)N1 1094132909 IRLWXRSVTYWTFE-KOLCDFICSA-N 302.338 -0.209 30 20 DBED C=CCN1CC(n2cc(CNC(=O)C3CN(C(C)=O)C3)nn2)C1 1094287698 OAEXPWHMBXWTIF-UHFFFAOYSA-N 318.381 -0.585 30 20 DBED C=C(C)CN1CC(N2C[C@H](NC(=O)c3cnn[nH]3)CC2=O)C1 1094753424 KHHJVHLGUBBLEE-SNVBAGLBSA-N 304.354 -0.604 30 20 DBED Cc1cc(C#N)nc(NC2CCN(C(=O)CNC(N)=O)CC2)n1 1095214822 BJPIRDYLNSEQHW-UHFFFAOYSA-N 317.353 -0.272 30 20 DBED COC(=O)NCC(=O)N[C@H]1CCN(c2cncc(C#N)n2)C1 1096319586 UHGAWBFBGMTAHE-VIFPVBQESA-N 304.310 -0.601 30 20 DBED N#Cc1c[nH]ccc1=N[C@H](CNC(=O)[C@H]1COC(=O)N1)C1CC1 1096660778 ZVBCXQKRPFRXNN-CHWSQXEVSA-N 315.333 -0.210 30 20 DBED C[C@@H](CNC(=O)c1cc(=O)n(C)o1)Nc1cnc(C#N)cn1 1097782374 JQRRDWXGWUGISB-QMMMGPOBSA-N 302.294 -0.130 30 20 DBED CNC(=O)C1(C(=O)NC[C@H](C)Nc2cncc(C#N)n2)CC1 1097939081 CAUVHANMPNBTHA-VIFPVBQESA-N 302.338 -0.209 30 20 DBED C=C(C)CN(CCO)C1CCN(C(=O)CNC(=O)NC)CC1 1098385901 HWPRQSLLEWTBGX-UHFFFAOYSA-N 312.414 -0.223 30 20 DBED N#CCN(CCO)C1CCN(C(=O)[C@H]2CCCNC2=O)CC1 1098399376 LQODHXZHHALZSP-ZDUSSCGKSA-N 308.382 -0.679 30 20 DBED C=C(C)CNCc1cn([C@H]2CCN(C(=O)CNC(N)=O)C2)nn1 1098614909 CSRYJXOQPXMASG-LBPRGKRZSA-N 321.385 -0.615 30 20 DBED CNC(=O)CNCc1cn([C@@H]2CCN(C(=O)[C@H](C)C#N)C2)nn1 1098632960 GYFMUMFJONCOAL-ZYHUDNBSSA-N 319.369 -0.953 30 20 DBED C#CCNCc1cn([C@@H]2CCN(C(=O)Cc3nc[nH]n3)C2)nn1 1098763556 ZPYHICYNZXXGKP-GFCCVEGCSA-N 314.353 -0.865 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(Cc2nc(C)no2)C[C@@H]1O 1099741050 NIYXSTVKXWIZIW-NEPJUHHUSA-N 310.354 -0.368 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)Cc2cnoc2)[C@H](O)C1 1099962100 JCWXSNNTSUPSIA-UONOGXRCSA-N 309.366 -0.029 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)C2(CF)CC2)[C@@H](O)C1 1100000767 KUEZPRPCCIULEU-NEPJUHHUSA-N 311.357 -0.963 30 20 DBED CNC(=O)NCCC(=O)NCCN(C)c1nc(C)cc(C#N)n1 1100059189 MCCBAMFOUAPUMO-UHFFFAOYSA-N 319.369 -0.472 30 20 DBED C=CCNC(=O)CNC1CC(CNC(=O)c2cn(C)cn2)C1 1100245083 RHMCXBFLZLLJIA-UHFFFAOYSA-N 305.382 -0.180 30 20 DBED CC(C)C#CC(=O)NCC1CC(N[C@H]2CCC(=O)NC2=O)C1 1100310169 GKDVLBIEIJIJOP-BPCQOVAHSA-N 305.378 -0.065 30 20 DBED CCN(CCNC(=O)c1cnnn1C)c1ccc(C#N)nn1 1100509277 XYWWZNABQJTALF-UHFFFAOYSA-N 300.326 -0.267 30 20 DBED CN1CC[C@H](CC(=O)NCC2CC(NCC(=O)NCC#N)C2)C1 1100873114 VCAHJNYNNIXEND-IYXRBSQSSA-N 321.425 -0.548 30 20 DBED CC[C@@H](CNC(=O)CS(C)(=O)=O)Nc1nccnc1C#N 1102997169 DJBBVHNQTRYZCX-VIFPVBQESA-N 311.367 -0.300 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1CCNC(=O)CN1CCN(C)C(=O)C1 1103163921 WUAUJSBIBLGWSL-ZIAGYGMSSA-N 321.425 -0.642 30 20 DBED CC[C@H](CNC(=O)CNC(=O)NC)Nc1ccc(C#N)nn1 1103352729 MYCPPUYYFAWYTH-SECBINFHSA-N 305.342 -0.416 30 20 DBED CC[C@H](CNC(=O)[C@H]1CC(=O)N(C)C1)N=c1cc[nH]c(C#N)n1 1103353192 WRNWDPONTKUSJJ-WDEREUQCSA-N 316.365 -0.445 30 20 DBED C=CCn1cc(C(=O)NCC[C@@H]2CN(CC(N)=O)C[C@H]2C)nn1 1103510009 UGPSNQSMPGXJAJ-VXGBXAGGSA-N 320.397 -0.363 30 20 DBED CC(=O)NCC(=O)NC[C@H](N=c1cc[nH]c(C#N)n1)C(C)C 1105110028 DKYHLFYHAQCOGC-NSHDSACASA-N 304.354 -0.541 30 20 DBED C=CCNCc1cn(C2CN(C(=O)[C@@H](C)NC(C)=O)C2)nn1 1105146618 IRWJMOOBZPQMLG-SNVBAGLBSA-N 306.370 -0.538 30 20 DBED C=CCNCc1cn(C2CN(C(=O)COCCN(C)C)C2)nn1 1105360794 IXMDPOPLFYTGLK-UHFFFAOYSA-N 322.413 -0.485 30 20 DBED C[C@H](NC(N)=O)C(=O)N(C)CCN(C)c1nccnc1C#N 1105379984 UDLVMPWSEVHMJY-VIFPVBQESA-N 305.342 -0.700 30 20 DBED CNC(=O)C1(C(=O)N2CCC(OC3CN(CC#N)C3)CC2)CC1 1105728507 YADIXAIQDRMLPI-UHFFFAOYSA-N 320.393 -0.272 30 20 DBED CC[C@H](C(=O)NC[C@@H](O)CNc1ccc(C#N)nn1)N(C)C 1105926419 UVFVCHXIULFDTF-NWDGAFQWSA-N 306.370 -0.423 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H](O)CNc1nc[nH]c2ncnc1-2 1105971319 XFFOYFBUDNQMMW-UWVGGRQHSA-N 318.337 -0.768 30 20 DBED Cc1nc(NC[C@@H](O)CNC(=O)[C@H]2CCNC2=O)ccc1C#N 1106052123 TXKOXXGKYZMPCL-NEPJUHHUSA-N 317.349 -0.713 30 20 DBED CCN(CCN=c1cc[nH]cc1C#N)C(=O)CCNC(N)=O 1106763989 CCLHCPANQVAKPJ-UHFFFAOYSA-N 304.354 -0.306 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)C[C@@H]1CCC(=O)N1 1106794480 QKKQVVVVFOXBDI-NSHDSACASA-N 316.365 -0.301 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)[C@H]1CC[C@H]1C(N)=O 1106909589 MOMVTMXKQSLBKQ-MNOVXSKESA-N 316.365 -0.458 30 20 DBED C=CCCNC[C@@H]1CN(C(=O)CS(=O)(=O)NC)C[C@H]1C 1106997414 CKVOLVDXKDRUDY-VXGBXAGGSA-N 303.428 -0.204 30 20 DBED N#Cc1cnc(NC/C=C/CNC(=O)[C@H]2CCNC(=O)C2)cn1 1107122219 OWUGZHPULLWFMX-GXFZAYBSSA-N 314.349 -0.041 30 20 DBED N#Cc1cncc(NC/C=C/CNC(=O)[C@H]2CCNC(=O)C2)n1 1107122827 YRXQFSQXJAKNKQ-GXFZAYBSSA-N 314.349 -0.041 30 20 DBED C=CCOCC(=O)NCc1cn(C2CN(CCOCC)C2)nn1 1107146401 IHQJQSNYGUIHQW-UHFFFAOYSA-N 323.397 -0.010 30 20 DBED N#Cc1c[nH]ccc1=NC/C=C/CNC(=O)[C@H]1CCCNC1=O 1107389213 HLHHFXCBJKBIAM-ZIYVKSGCSA-N 313.361 -0.014 30 20 DBED N#CCN1CC[C@@]2(CNC(=O)CN3C(=O)CNC3=O)CCC[C@@H]12 1107628191 PNWYMHFUWLMRBF-IAQYHMDHSA-N 319.365 -0.577 30 20 DBED C[C@@H](CNc1nccnc1C#N)NC(=O)CNC(=O)C1CC1 1108264915 QERNRQCDQPJDTN-VIFPVBQESA-N 302.338 -0.209 30 20 DBED CCO[C@H](C(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1)C1CC1 1108546335 UROAGGFCIMOOOK-WFASDCNBSA-N 320.393 -0.274 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H]1CCN(C)C1=O 1109622378 MEWVFPRDDJCFAC-QPSCCSFWSA-N 319.405 -0.164 30 20 DBED CNC(=O)NCC(=O)N[C@H](CN=c1cc[nH]cc1C#N)C1CC1 1110005344 QCYWPOGKAHIHTA-CYBMUJFWSA-N 316.365 -0.389 30 20 DBED N#Cc1nccc(NC2(CNC(=O)[C@H]3CCC(=O)N3)CC2)n1 1110081790 AWKVTKXLDBJKLS-SECBINFHSA-N 300.322 -0.312 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@]1(O)CCN(c2nc(C)ns2)C1 1111098886 XIVIFKQASYVRKD-YGRLFVJLSA-N 324.406 -0.058 30 20 DBED N#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CNC(=O)C1CCOCC1 1111164055 GIPXGHGGHQLCPT-MCIONIFRSA-N 320.393 -0.226 30 20 DBED CO[C@H](C)C(=O)NC[C@H]1COCCN1c1ccc(C#N)nn1 1111658004 VASFSBSPHVGINZ-PWSUYJOCSA-N 305.338 -0.295 30 20 DBED Cc1cc(C(=O)N2CCN(CC(=O)NCC#N)CC2)nn1C 1112652090 ZDYZPWHYIDVHJT-UHFFFAOYSA-N 304.354 -0.874 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)[C@@]23CCCN(CC2)C3)CC1 1113591779 KTSRLXZUUFZZEE-INIZCTEOSA-N 319.409 -0.744 30 20 DBED COCC#CCN1CCN(C(=O)CCN2CCCC2=O)CC1 1113639106 SUGLPUHJHNOBIH-UHFFFAOYSA-N 307.394 -0.207 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CN(c2nccnc2C#N)CC[C@H]1C 1114010767 FFIOBFICJLRLDE-ZYHUDNBSSA-N 316.365 -0.185 30 20 DBED CCCNC(=O)NC(=O)CN1C[C@H]2C(NC(=O)[C@@H](C)C#N)[C@@H]2C1 1114066755 HUQOHNWUSJMIHU-HBNTYKKESA-N 321.381 -0.572 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)c3n[nH]cc3C)[C@H]2C1 1114234472 LSTBVTMOKLKUBG-NMKXLXIOSA-N 315.377 -0.484 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)Cn3nccc3C)[C@H]2C1 1114895336 VOHGFMNRHHNOMQ-STQMWFEESA-N 317.393 -0.460 30 20 DBED C[C@H](CN(C)C(=O)c1cn(C)nn1)N=c1cc[nH]c(C#N)n1 1115703130 SRMJFVOYBCPFTA-SECBINFHSA-N 300.326 -0.529 30 20 DBED CNC(=O)NCCC(=O)N(C)C[C@@H](C)Nc1cncc(C#N)n1 1115704089 DDMDUCCVDKXIHT-SNVBAGLBSA-N 319.369 -0.074 30 20 DBED Cc1cc(NC(=O)C(=O)N[C@@H](CO)C2CC2)nn1CCC#N 1116435809 OFKZDNJZYVKEKM-NSHDSACASA-N 305.338 -0.069 30 20 DBED C[C@H](OC(=O)COCc1nncn1C)C(=O)NC1(C#N)CCC1 1117709089 SVQWWYYLDGRUKX-JTQLQIEISA-N 321.337 -0.174 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CC[C@@](O)(C3CC3)C2)nn1 1118115814 JOEQUAJNMMIGBP-HNNXBMFYSA-N 319.365 -0.546 30 20 DBED C#CCNC(=O)C1CCN(C(=O)C(=O)N[C@H]2COC[C@@H]2C)CC1 1119838965 XZDLXKLURKRROD-AAEUAGOBSA-N 321.377 -0.875 30 20 DBED C=C(C)[C@H]1OCC[C@@H]1Cn1nnnc1N1CCC(O)(CO)CC1 1120114391 IXLOVOHGBKSLAS-CHWSQXEVSA-N 323.397 -0.022 30 20 DBED C=CCS(=O)(=O)CCn1nnnc1N1CCO[C@H](CC)C1 1120195849 FDIYOMJFUGVDEG-LLVKDONJSA-N 315.399 -0.111 30 20 DBED Cc1[nH]ccc1C(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1 1121419444 OSKWOHBOPLLGDX-JTQLQIEISA-N 300.322 -0.391 30 20 DBED CN(C)CCCCC(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1 1121847593 QOOJWYOQTUOAGI-LBPRGKRZSA-N 320.397 -0.609 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)c1ccncc1 1122604433 BBMWVEKDHYVACY-LLVKDONJSA-N 319.365 -0.199 30 20 DBED CC[C@@H](NC(C)=O)C(=O)NC[C@@H](CO)Nc1cncc(C#N)n1 1122643488 DAWMMMKEPPJIBQ-NWDGAFQWSA-N 320.353 -0.848 30 20 DBED CCC(=O)N[C@@H](C)C(=O)NC[C@H](CO)Nc1cncc(C#N)n1 1122752517 OJBGDZRSMNQEPY-GXSJLCMTSA-N 320.353 -0.848 30 20 DBED C=C(C)CN(CC)C(=O)CNCCNC(=O)[C@H]1CCC(=O)N1 1124804966 SNYVXAVVYSBIKU-GFCCVEGCSA-N 310.398 -0.605 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)c1cnc(C)[nH]1 1124825149 LTPYNFLSJFMYIV-UHFFFAOYSA-N 308.342 -0.951 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)CCn2ccnn2)C1=O 1126270591 UIDZIOFKNQBNIY-LBPRGKRZSA-N 306.370 -0.839 30 20 DBED C=C[C@](C)(O)CC(=O)NCCNCC(=O)N1CCO[C@H](C)C1 1126379028 WCCCVBLWKZCXOA-DOMZBBRYSA-N 313.398 -0.733 30 20 DBED CC(=O)NCC(=O)N(C)C1CC(Nc2cncc(C#N)n2)C1 1126836795 PHPZUSBOVFIGJE-UHFFFAOYSA-N 302.338 -0.114 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)CO[C@@H]2CCOC2)C1 1129004710 VQHNOCDEJUWOLV-MCIONIFRSA-N 321.381 -0.389 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCN[C@H]1CCN(C(C)C)C1=O 1129790559 ASMZGTCUGSZPTQ-GJZGRUSLSA-N 320.437 -0.201 30 20 DBED C#CCN[C@@H]1CN(C(=O)CCN(C)CC)C[C@@H]1n1ccnn1 1130079629 TTYJRDXUTNTADH-KGLIPLIRSA-N 304.398 -0.405 30 20 DBED CSCC(=O)NCc1nc([C@H]2CCO[C@H]2CNCC#N)n[nH]1 1130181958 ZMQVTUSBPVPNKH-UWVGGRQHSA-N 324.410 -0.230 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cn(C)nc1C1CCC1 1130449121 SEOPLOBEUMVVQN-UHFFFAOYSA-N 317.393 -0.244 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)[C@H](C)NC(C)=O)C[C@@]3(C1)O2 1131178314 ULCFRCUVNVRILA-ADSMDIBLSA-N 305.378 -0.554 30 20 DBED C#CCNC(=O)CNCCNC(=O)Cc1cccc(OCC)n1 1131576289 CPCAJOFIJWUVJN-UHFFFAOYSA-N 318.377 -0.522 30 20 DBED CC#CCCCC(=O)NCCNC[C@H](O)CN1CCCC1=O 1132591289 LFCMZGIXXYHBLE-AWEZNQCLSA-N 309.410 -0.131 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@H]1Cc2ccncc2C1 1133877484 ZOBCHKYOGCOIET-ZDUSSCGKSA-N 300.362 -0.748 30 20 DBED Cc1nnc(CC(=O)N[C@@H](C)C[C@H](C)NCC(=O)NCC#N)o1 1134269071 CYFSBRSRNQVIQY-UWVGGRQHSA-N 322.369 -0.567 30 20 DBED COCC#CCNCCNC(=O)C(=O)NCc1ccc(F)cc1 1134947406 IWXYMRCZCPWDOG-UHFFFAOYSA-N 321.352 -0.203 30 20 DBED C[C@H](C[C@@H](C)NC(=O)CCCN(C)C)NCC(=O)NCC#N 1135317547 ZBEILTTZLMTHEY-CHWSQXEVSA-N 311.430 -0.159 30 20 DBED CC#CCN1CCCO[C@@H](CNC(=O)CN2CCOCC2=O)C1 1149842772 ZLGWSVFECDDANE-AWEZNQCLSA-N 323.393 -0.924 30 20 DBED COCC#CCN1CCCO[C@@H](CNC(=O)c2ccnnc2)C1 1150364068 PQUIQXGSILBUJV-HNNXBMFYSA-N 318.377 -0.053 30 20 DBED COCC#CCN1CCCO[C@H](CNC(=O)c2ccncn2)C1 1150461682 HFWIGRBUPVDCBW-CQSZACIVSA-N 318.377 -0.053 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)NCCCNC(=O)COCC 1154341336 PVRHNKHBEGHLHZ-NSHDSACASA-N 314.386 -0.481 30 20 DBED COCC#CCNCCCNC(=O)[C@H]1CCS(=O)(=O)C1 1162043643 AIHBSOVAZMTNEI-LBPRGKRZSA-N 302.396 -0.833 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)c1c(C)ncnc1O 1164437050 XIWXKNBMIJLYQC-LLVKDONJSA-N 319.365 -0.662 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)[C@H]1CCC(=O)N1C 1164481344 XCLROVWWVVLKEV-NWDGAFQWSA-N 310.398 -0.606 30 20 DBED COc1cc(C(=O)NCCCNCC(=O)NCC#N)cc(C)n1 1165221755 RRZYCHQSHKMFLM-UHFFFAOYSA-N 319.365 -0.252 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)Cc1cscn1 1167718111 LSXOKRFREOZFSV-LLVKDONJSA-N 308.407 -0.081 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H]2OCCN(CC=C)[C@@H]2C1 1176983732 YNUITZRMLNUVTK-ZIAGYGMSSA-N 305.378 -0.386 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H]2OCCN(CCC)[C@H]2C1 1176988433 JCYNPDWRSGLQMS-UONOGXRCSA-N 307.394 -0.162 30 20 DBED C=CCO[C@H](C)C(=O)NCCCNCCNS(=O)(=O)CC 1177277869 XBDRRXYCBWWALW-GFCCVEGCSA-N 321.443 -0.387 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2cc(C)n(C)n2)[C@H]1C 1178226736 UUXXJAJXLVOYTJ-STQMWFEESA-N 317.393 -0.329 30 20 DBED COCC#CCNC[C@@H]1CCN(C(=O)Cn2ncnn2)C[C@H]1C 1184399743 MRICMXQWFSPFFC-KGLIPLIRSA-N 320.397 -0.603 30 20 DBED C#CCNC[C@H]1CCN(C(=O)c2nnc(O)nc2O)C[C@H]1C 1184733983 FRJFPJHNSOSOBZ-NXEZZACHSA-N 305.338 -0.396 30 20 DBED C#CCN[C@@H]1CCN(C(=O)CCNC(=O)c2cnccn2)C1 1187953757 KPBBMCBXTHNVOA-GFCCVEGCSA-N 301.350 -0.580 30 20 DBED CN(CC(=O)NCC#N)[C@H]1CCN(C(=O)c2cncnc2)C1 1189760315 JLOFRQRFWVNTPO-LBPRGKRZSA-N 302.338 -0.737 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)C(F)=C(C)C)C1 1192230340 MVARLSDUHPALKB-QJPTWQEYSA-N 311.357 -0.451 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(CC(=O)N(CC)C2CC2)C[C@H]1O 1192523951 BUPUCPHFRFTGFN-HUUCEWRRSA-N 321.421 -0.038 30 20 DBED CC(C)(C)C#CC(=O)N[C@@H]1CN(CCN2CCNC2=O)C[C@H]1O 1192804619 GVTPPXNAVHFPKI-CHWSQXEVSA-N 322.409 -0.778 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2nccn2CC)C[C@H]1O 1192886096 LRLMFDXGGDDUDJ-ZIAGYGMSSA-N 320.393 -0.396 30 20 DBED COC[C@H](O)CN1CCCN(C(=O)CSCC#N)CC1 1194919228 OCUVRZAAKDCMCS-GFCCVEGCSA-N 301.412 -0.215 30 20 DBED CC1(C)CC[C@H](C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@H]2O)C1 1196038605 WJPJMQLQKFTASM-YNEHKIRRSA-N 322.409 -0.386 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCCO[C@@H](CNCC(=O)NC)C1 1202200351 LGKCRRQPPZUPEI-STQMWFEESA-N 313.398 -0.469 30 20 DBED CC(=O)NC(C)(C)C(=O)N1CCC(NCC(=O)NCC#N)CC1 1202966985 AHGUNRNCHZXPBK-UHFFFAOYSA-N 323.397 -0.879 30 20 DBED CO[C@H](C)CCC(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1206894984 ZGERESLQICVRIB-JHJVBQTASA-N 310.398 -0.122 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCCN(C(=O)c2cc[nH]n2)C1 1207418279 BNVRMPRHPVISRW-NEPJUHHUSA-N 303.366 -0.258 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@H]2CN(C)CCO2)C1 1207737635 ISYHCEDFNISDJS-ZIAGYGMSSA-N 324.425 -0.800 30 20 DBED C#CCCN1C[C@@H](NC(=O)CCc2nnc(O)nc2O)[C@H](C)C1 1207857788 PIKFSGHGPNXCES-ZYHUDNBSSA-N 319.365 -0.325 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCC[C@H](NCCS(C)(=O)=O)C1 1207949658 DQQZLEBDARDPTH-JSGCOSHPSA-N 318.439 -0.061 30 20 DBED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)CCC(C)C 1211838095 AEPDLWQDBOKUFX-CHWSQXEVSA-N 310.398 -0.122 30 20 DBED CCCCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C#CC(C)C)C1 1219581596 QEOOPOUWLKWETO-KGLIPLIRSA-N 309.410 -0.277 30 20 DBED CC#CCCCC(=O)N[C@@H]1CN(CC(=O)N2CCC2)C[C@@H]1O 1220177019 YTSOSRVGCSAOPS-KGLIPLIRSA-N 307.394 -0.426 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H]2CCN(Cc3ccon3)C[C@H]21 1221491568 OVTQRHFOPWTPCX-TZMCWYRMSA-N 316.361 -0.153 30 20 DBED C=CCN1CC[C@@H]2CN(C(=O)CNS(=O)(=O)CC)[C@@H]2C1 1221588055 RHASXNWQKNVYSW-VXGBXAGGSA-N 301.412 -0.356 30 20 DBED C#CCCN1CCC(CNC(=O)Cn2cnc(C(N)=O)n2)CC1 1223257769 DVLHCOLSOGHASK-UHFFFAOYSA-N 318.381 -0.772 30 20 DBED COCC#CCN1CCC(CNC(=O)[C@@]2(C)CCNC2=O)CC1 1224535002 BVGXHFQKRXNRTC-KRWDZBQOSA-N 321.421 -0.009 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)CCn2cccn2)CC1 1226096671 XLRDMEFGCMSKQW-UHFFFAOYSA-N 317.393 -0.397 30 20 DBED C#CCN1CCS(=O)(=O)[C@H](CCNC(=O)[C@H](C)OCC)C1 1230425267 HHLQGMKFYHRHMN-QWHCGFSZSA-N 316.423 -0.350 30 20 DBED Cc1nnsc1C(=O)N(C)C[C@@H]1CCN1CC(=O)NCC#N 1230715129 QZIDAJZQFUWGSI-JTQLQIEISA-N 322.394 -0.367 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)[C@H]1CCCCO1 1233682412 DYLXIFJWLZUGIY-UONOGXRCSA-N 307.394 -0.162 30 20 DBED COCCNC(=O)Cn1cc(NC(=O)CSCC#N)cn1 1318816831 SONRPBRKAAKQSQ-UHFFFAOYSA-N 311.367 -0.159 30 20 DBED C=CCNC(=O)[C@@H](C)[S@](=O)C[C@H](NC(C)=O)C(=O)OC 1321861371 QQCMTAZERSHOLP-CBBHYXBPSA-N 304.368 -0.897 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)NCCOC[C@@H]2CCCO2)CCO1 1321976993 VWFPIMNDRVXFPS-RYUDHWBXSA-N 311.338 -0.951 30 20 DBED N#CCNC(=O)CNC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 1323026607 HXIBSABLIPBMQS-UHFFFAOYSA-N 319.708 -0.094 30 20 DBED C=CCn1cc(CNC(=O)NC[C@H]2CCCS2(=O)=O)nn1 1325933968 OWMVWNCTVRPAGW-LLVKDONJSA-N 313.383 -0.160 30 20 DBED COC(=O)[C@@H]1C[C@H](O)CN(C(=O)C(=O)NCC2(CC#N)CC2)C1 1326127614 KPLUOOHBUUKONY-MNOVXSKESA-N 323.349 -0.821 30 20 DBED C=CCn1cc(CNC(=O)C(=O)NCCc2cccnc2)nn1 1326227031 SADZOXYGWJVRDR-UHFFFAOYSA-N 314.349 -0.166 30 20 DBED C#CCOc1ccccc1CNC(=O)C(=O)NCC[S@@](C)=O 1326498178 JMEMUJSSJLUQSH-JOCHJYFZSA-N 322.386 -0.191 30 20 DBED CC[C@@H]1CO[C@@H](C)CN1C(=O)C(=O)N1CC[C@](O)(CC#N)C1 1327020513 CVEYOSISEIEVMY-YWPYICTPSA-N 309.366 -0.111 30 20 DBED C=C(C)CN(CC)C(=O)C(=O)N[C@H]1CCN(S(C)(=O)=O)C1 1332832622 WMDOYMHIXBATFF-NSHDSACASA-N 317.411 -0.439 30 20 DBED C#CCN1CCC[C@@H](NC(=O)N2CC(=O)N(CCOC)C2)C1 1337017104 VGENUOYYAIABPL-CYBMUJFWSA-N 308.382 -0.458 30 20 DBED C#CCNCC(=O)NCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 1341502658 NZJTXYMWNQUUBJ-CDGCEXEKSA-N 301.346 -0.868 30 20 DBED C[C@@]1(C#N)CCCN(C(=O)C(=O)NCCN2CCCC2=O)C1 1349749169 XLCUKIAVJMDBMO-HNNXBMFYSA-N 306.366 -0.123 30 20 DBED C#CCCCc1nnc(N2CCO[C@@H](C(N)=O)C2)n1CCOC 1356193635 IQQLUGBRYPGGQG-GFCCVEGCSA-N 321.381 -0.429 30 20 DBED CC1(O)CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)CC1 1362151374 JFQYPWKJDNPMOF-UHFFFAOYSA-N 306.322 -0.416 30 20 DBED N#C[C@@]1(F)CCN(C(=O)c2nc3ncc(CCO)cn3n2)C1 1362679924 SXAHNNPMOGSTGU-ZDUSSCGKSA-N 304.285 -0.263 30 20 DBED CC(=O)NCC(=O)NCC(=O)NCc1ccc(C#N)c(F)c1 1362864307 AVYXCXLUOKAXCT-UHFFFAOYSA-N 306.297 -0.434 30 20 DBED C=C(Cl)CN[C@H](C)CN(C)C(=O)CN1CCN(C)C(=O)C1 1369263548 QWZBRTDEBFDLND-GFCCVEGCSA-N 316.833 -0.051 30 20 DBED COCCN(CCNC(=O)c1[nH]nnc1C)C(=O)[C@H](C)C#N 1371140287 GVBDXCJLKRVMOS-SECBINFHSA-N 308.342 -0.522 30 20 DBED C[C@H](C#N)C(=O)N[C@@H](CNC(=O)c1cnc(O)n1C)C1CC1 1372411640 KVNBSTVQRMUCNU-SCZZXKLOSA-N 305.338 -0.090 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)CNC(=O)N2CCCC2)C1 1385570731 IHPUFUXGSZFQFS-RYUDHWBXSA-N 321.381 -0.331 30 20 DBED CC(=O)N[C@@H](C)C(=O)N1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 1385622188 PKBDRYAHXCVXSU-CABZTGNLSA-N 317.349 -0.258 30 20 DBED COc1coc(C(=O)N2CC(NC(=O)[C@H](C)C#N)C2)cc1=O 1387804461 CMACXCJVADETDD-MRVPVSSYSA-N 305.290 -0.251 30 20 DBED CC(=O)NCC(=O)N(C)[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 1396788657 DSFVLZVKHWEMMN-LBPRGKRZSA-N 317.349 -0.305 30 20 DBED CC(C)CNC(=O)CN1CCN(CCNC(=O)[C@@H](C)C#N)CC1 1402109042 ZJRRRJUTYJFPJZ-AWEZNQCLSA-N 323.441 -0.348 30 20 DBED COCC(=O)N(C)CC(=O)NC[C@@H]1CCCN1C(=O)[C@H](C)C#N 1415756648 RBSYCQUJNIQAOU-NEPJUHHUSA-N 324.381 -0.642 30 20 DBED N#Cc1cc(C(=O)N2CCS(=O)(=O)[C@H]3COCC[C@H]32)c[nH]1 1417924462 WTZKIUHMDZYDGO-NEPJUHHUSA-N 309.347 -0.086 30 20 DBED C=C(Cl)CNC[C@@H](C)NC(=O)CN1CCN(C)C(=O)C1 1420311485 RJZQPSZYXQYDSH-LLVKDONJSA-N 302.806 -0.393 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC(NC(=O)CCn3ccnn3)C2)c1 1432221367 RODHAAJUIDOKSS-UHFFFAOYSA-N 313.321 -0.491 30 20 DBED C[C@@H](C#N)C(=O)NC1CN(C(=O)c2cnn(CCN(C)C)c2)C1 1432343586 SQLWISMEASUMBG-NSHDSACASA-N 318.381 -0.455 30 20 DBED N#Cc1cn(CCNC(=O)CC2(O)CCCC2)c(=O)nc1O 1434208542 TXJNTDAKTROKBL-UHFFFAOYSA-N 306.322 -0.368 30 20 DBED N#CCCN1CCN(C(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)CC1 1434782576 LFZMJMNETKACQG-RYUDHWBXSA-N 309.370 -0.740 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@]2(CCN(CC(=O)NC(N)=O)C2)C1 1446357424 VRHXGPYMNVSPCY-IINYFYTJSA-N 307.354 -0.735 30 20 DBED CC(=O)N1CC(C(=O)N(C)[C@@H](CNC(=O)[C@@H](C)C#N)C2CC2)C1 1487649417 CERKKOPDNYIGNZ-HZMBPMFUSA-N 320.393 -0.022 30 20 DBED COCCN(CCNC(=O)[C@@H]1CCC(=O)N1)C(=O)[C@@H](C)C#N 1488541013 OKKQLVQJJYIGBF-QWRGUYRKSA-N 310.354 -0.984 30 20 DBED C=CCn1c(CO)nnc1N1CCN(CC(=O)NC2CC2)CC1 1520541022 JWNIWVCGBOIRBC-UHFFFAOYSA-N 320.397 -0.643 30 20 DBED C=CCN1CC[C@H](N2C[C@H]3[C@H](NC(=O)CNC(=O)O)[C@H]3C2)C1=O 1573367993 GJSDFPSVITTYCF-SRRSOLGSSA-N 322.365 -0.913 30 20 DBED C[C@@H](C#N)C(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nn[nH]n1 1573585664 HQSXGJKTCNXUKY-ZETCQYMHSA-N 317.313 -0.475 30 20 DBED C[C@@]1(C#N)CN(C(=O)NCc2cn(C3CNC3)nn2)CCO1 1576329157 BZGIFAXGWURLHZ-CYBMUJFWSA-N 305.342 -0.754 30 20 DBED C[C@@H]1[C@H](NC(=O)NCCn2cnc(C#N)n2)C[C@H]2CC[C@H]1N2 1576579181 LWVMAFSCXDPMHB-IRCOFANPSA-N 303.370 -0.022 30 20 DBED Cc1nc(C#N)c(-c2nn[nH]n2)n1CC1CN(S(C)(=O)=O)C1 1581411278 SVNCBAXNEHYQBT-UHFFFAOYSA-N 322.354 -0.865 30 20 DBED C#CCN(CC(=O)O)c1nnc([C@@H]2CC(=O)N(C)C2)n1CC=C 1588427229 QXRWDSIGCHDKDI-LLVKDONJSA-N 317.349 -0.066 30 20 DBED CNC(=O)[C@]1(C)CCN(c2cnc(-c3nn[nH]n3)c(C#N)n2)C1 1591202144 OFDRUYIGELJDFD-CYBMUJFWSA-N 313.325 -0.509 30 20 DBED N#Cc1ccc(NCCN(CCO)C(=O)[C@@H]2C[C@@H]2C(=O)O)nc1 1601107838 NJQXNDDRGXRNOG-NEPJUHHUSA-N 318.333 -0.093 30 20 DBED Cn1c(=O)[nH]c(N[C@@H](C[C@@H]2CCCOC2)C(=O)O)c(C#N)c1=O 1608075467 DCIFTKNJYKIALW-WPRPVWTQSA-N 322.321 -0.373 30 20 DBED N#Cc1ncn(CC(=O)N2CCC[C@H](Cn3ccnn3)C2)n1 1645628329 MZXBAEHPSHWFJW-NSHDSACASA-N 300.326 -0.320 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2c[nH]nc2C2CC2)C1 1713150842 JVOSDNKMQQPRHG-LBPRGKRZSA-N 315.377 -0.159 30 20 DBED C#CCN(CCCNC(=O)CN(C)S(C)(=O)=O)C1CC1 1752262106 UDULJFSOJFOQCG-UHFFFAOYSA-N 301.412 -0.518 30 20 DBED C#CCN1CCN(CCCNC(=O)[C@@H]2C[C@H]2C(=O)OC)CC1 1752339018 FOFQOLRGCBFCFP-ZIAGYGMSSA-N 307.394 -0.447 30 20 DBED C#CCN1CCC[C@H](CNC(=O)Cn2nc(C)n(C)c2=O)C1 1752789810 LOUIRYKCNYICCB-CYBMUJFWSA-N 305.382 -0.648 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@H]1CCN(C(=O)Cn2ccnc2)C1 1752962065 BJCZOBRBFCGTAR-UONOGXRCSA-N 317.393 -0.541 30 20 DBED C=CCn1cc(C(=O)NCC[C@@H](C)N[C@H]2CCCNC2=O)nn1 1753015635 RKQOECBLHXSONU-NEPJUHHUSA-N 320.397 -0.159 30 20 DBED C#CCO[C@H](C)C(=O)N(C)CCNC[C@@H]1CCNC(=O)CC1 1753189876 YNVVJESMWDJFJE-KGLIPLIRSA-N 309.410 -0.011 30 20 DBED C#CCNC(=O)CN1CC[C@H](CCNC(=O)c2[nH]cnc2C)C1 1753341042 OUWDNUDLUPDKSS-ZDUSSCGKSA-N 317.393 -0.091 30 20 DBED C#CCN1CCC(C(=O)N2CC[C@H](CN(C)CC(N)=O)C2)CC1 1753359707 JKFDFUXBDRXRIA-CQSZACIVSA-N 320.437 -0.403 30 20 DBED C#CCOCCC(=O)N1C[C@@H]2C[C@H]1CN2[C@H](C)c1nnnn1C 1753420710 IGEQZQXEXMXAQM-AGIUHOORSA-N 318.381 -0.404 30 20 DBED C=CCNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)c1ccc(C#N)[nH]1 1753908032 DSUHMUYRUMCLLF-ZYHUDNBSSA-N 319.365 -0.743 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H](O)CNCc1cc(C)ncn1 1753911919 XOZOOEOOXDGSCP-OCCSQVGLSA-N 306.366 -0.610 30 20 DBED C[C@H](CN(C)CCCN1C(=O)CNC1=O)NC(=O)C#CC1CC1 1754312363 ZSCJMPXMIVHDIY-GFCCVEGCSA-N 320.393 -0.222 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)CCN(C)C)C[C@H]1CC 1754470679 PCTPVWUNSJHEGI-CABCVRRESA-N 322.453 -0.096 30 20 DBED C#Cc1ccc(C(=O)N(CCO)CCN[C@H](CC)C(N)=O)nc1 1754896832 RTAVACYGWTYBAC-CYBMUJFWSA-N 318.377 -0.649 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)c2cccn3nnnc23)CCO1 1754999622 BSIHJZONKFOOHP-GFCCVEGCSA-N 314.349 -0.422 30 20 DBED C#CCNC[C@H]1CN(C(=O)CS(=O)(=O)CCCC)CCO1 1755017079 IGTXIBLXZACETG-ZDUSSCGKSA-N 316.423 -0.349 30 20 DBED C#CCNCC1(NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)CCOCC1 1755098736 DCEMVBYMWOXQJQ-OLZOCXBDSA-N 307.394 -0.224 30 20 DBED C#CCCN[C@H]1CN(C(=O)COCc2nncn2C)C[C@H]1C 1755119029 MRZCXTMPSNPIBB-OLZOCXBDSA-N 305.382 -0.209 30 20 DBED N#CCN1CC(CCO)(NC(=O)c2cnn3c2OCCC3)C1 1755333796 JPKKIZWBXJLNDB-UHFFFAOYSA-N 305.338 -0.644 30 20 DBED CN(C(=O)CCCn1c(O)nnc1O)[C@@H](CNCC#N)C1CC1 1755561623 XWMZWKOAFJOJAR-NSHDSACASA-N 322.369 -0.180 30 20 DBED CC#CCN1CCC[C@H](NC(=O)CCS(=O)(=O)NC)[C@@H]1C 1755717322 FTKTVJKFZCVIPH-STQMWFEESA-N 315.439 -0.082 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@@H](O)CN(C)C(=O)c1cccs1 1755771444 LZVYHGIJVBKOIS-NWDGAFQWSA-N 323.418 -0.092 30 20 DBED C=C(C)CCNC[C@@H](O)CN(C)C(=O)c1cn(C)c(=O)n1C 1755796641 SNENHONDPADMMM-GFCCVEGCSA-N 310.398 -0.288 30 20 DBED C[C@@H](NC(=O)CN1CCN(C)C(=O)C1)C1CCN(CC#N)CC1 1755844040 GDCLJCWQMUVUKB-CYBMUJFWSA-N 321.425 -0.499 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(C(=O)CN2CCCC2=O)[C@@H]1C 1756554236 RVAOSLKEINPXLY-CHWSQXEVSA-N 323.393 -0.083 30 20 DBED C=CCCC(=O)N(C)C[C@H](O)CNC(=O)[C@]1(C)CNC(=O)C1 1756654366 ADHFCKZGFBTMJJ-ABAIWWIYSA-N 311.382 -0.586 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)CCCO1 1756838767 AMZVSVAOCMDIHV-OLZOCXBDSA-N 323.393 -0.035 30 20 DBED O=C1CN(N=Cc2cn(C3CCOCC3)nc2C(=O)O)C(=O)N1 1776034973 RKZMAONBTPUTNU-UHFFFAOYSA-N 321.293 -0.182 30 20 DBED C#CCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CNC(=N)N)C2 1802302156 TZFYELKGMLRDFT-CLLJXQQHSA-N 319.409 -0.089 30 20 DBED N#CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)C(O)O)CC1 1826317248 SCAROSOKRLYDAL-LBPRGKRZSA-N 309.366 -0.170 30 20 DBED CN[C@H](CC(=O)N1CC2(CCCN2C(=O)CCC#N)C1)C(=O)O 1842812896 SJNGUUXKQGKUNP-LLVKDONJSA-N 322.365 -0.444 30 20 DBED N#Cc1cccc(CNC(=O)CN2CCS(=O)(=O)CC2)c1 52505347 FOPWDSHJJGEFIA-UHFFFAOYSA-N 307.375 -0.095 30 20 DBED C=CCNC(=O)COc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 66351210 DVSBCINACDQGIP-UHFFFAOYSA-N 315.307 -0.077 30 20 DBED COC(=O)C[C@@H]1C(=O)NCCN1S(=O)(=O)CCCCC#N 68873339 NJJHSMAXOWJLRO-SNVBAGLBSA-N 317.367 -0.626 30 20 DBED CC(=O)c1cn(CC(=O)N[C@](C)(C#N)C2CC2)c(=O)n(C)c1=O 134561765 GSYXDOHOBRBHRI-OAHLLOKOSA-N 318.333 -0.442 30 20 DBED C/N=C(/NCC(=O)NC(C)C)N1CCO[C@H](c2cnn(C)c2)C1 153301864 JIONABNFDCZERX-ZDUSSCGKSA-N 322.413 -0.107 30 20 DBED N#Cc1ncccc1S(=O)(=O)N[C@H]1CCS(=O)(=O)C1 236415486 SVYQZDTUSPLZGB-QMMMGPOBSA-N 301.349 -0.581 30 20 DBED CN(/C(N)=N/CCS(=O)(=O)N1CCSCC1)C1CC1 262297151 YTHKXECHLSPKGW-UHFFFAOYSA-N 306.457 -0.226 30 20 DBED C[C@@H](O)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)o2)CC1 287667280 DBBHTMICEHHZKF-SECBINFHSA-N 313.335 -0.635 30 20 DBED C#CCCS(=O)(=O)N[C@H]1CCN(c2cc(C)nn2C)C1=O 288184841 AYZFLDMUAFHPQM-NSHDSACASA-N 310.379 -0.223 30 20 DBED CN(CCS(=O)(=O)c1ccc(C#N)cn1)CC(=O)N(C)C 290499593 YDSZEZFJVAUWQH-UHFFFAOYSA-N 310.379 -0.253 30 20 DBED CCN1CCN(C/C(O)=N/[C@@H]2CCC(=O)N(C)C2)C(=O)C1=O 329464487 UPQLDJFDTWYEQZ-SNVBAGLBSA-N 310.354 -0.746 30 20 DBED C/N=C(/O)CN1CCN(C(=O)[C@@H]2CCCCS2(=O)=O)CC1 329598765 PSASCODLXMSKTD-NSHDSACASA-N 317.411 -0.316 30 20 DBED C[C@H](C/N=C(/O)CN1C(=O)CN(C)C1=O)CN1CCOCC1 329653694 DXCAEXBEUCDGEQ-LLVKDONJSA-N 312.370 -0.195 30 20 DBED C[C@H](N/C(O)=N/C[C@@H]1CC[C@@H](C(=O)N(C)C)O1)C(=O)N(C)C 331096931 ATJPBNANYLTPTE-DCAQKATOSA-N 314.386 -0.398 30 20 DBED COC(=O)[C@@]1(C)CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)C1 336954333 XNQVRXCQSBYECX-PWSUYJOCSA-N 317.367 -0.659 30 20 DBED CCOC[C@@H]1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)C1 337063703 IXJQPYDVZQZUMR-NEPJUHHUSA-N 303.384 -0.186 30 20 DBED CSC[C@H](CCO)NS(=O)(=O)N1CCO[C@@H](C#N)C1 337072415 PKXQBTWRQJPLNQ-UWVGGRQHSA-N 309.413 -0.841 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)NC[C@@H](O)C1CCOCC1 337090845 KIYOYMJEMYATDN-CMPLNLGQSA-N 305.400 -0.300 30 20 DBED CC(=O)NCC(=O)NCC(=O)NCCc1cccc(C#N)c1 340108041 HCPZDNCQWYUEAU-UHFFFAOYSA-N 302.334 -0.531 30 20 DBED C=CC[C@@H](CO)CNC(=O)Nc1cc(C)n(CC(=O)NC)n1 341694214 NBFSJVJTJCQLLM-LLVKDONJSA-N 309.370 0.244 30 20 DBED OC[C@H](NCC#CCN[C@H](CO)[C@H]1CCCO1)[C@@H]1CCCO1 342164825 KXOULSHTMNBNAB-GEEKYZPCSA-N 312.410 -0.751 30 20 DBED CN(CCC#N)S(=O)(=O)N1CCC[C@@H]1CN1CCOCC1 345236112 BSLJIZVKCBYXAK-CYBMUJFWSA-N 316.427 -0.127 30 20 DBED CCOCCS(=O)(=O)NCC(=O)N1CCC(F)(C#N)CC1 359357661 GQCKYLQGFVFORE-UHFFFAOYSA-N 321.374 -0.203 30 20 DBED CCN1CCN(C(=O)C(=O)N2CCC(C#N)CC2)[C@@H](C)C1=O 410715169 OHHMXWIRALVJFU-NSHDSACASA-N 306.366 -0.172 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(C)[C@@H]2CCCC[C@H]2O)C1=O 428604353 WCBRDTKZGWQHOF-GHMZBOCLSA-N 323.349 -0.275 30 20 DBED N[C@H]1C[C@@H]2CN(C(=O)NCC#Cc3ccccc3)CCN2C1=O 568294575 WENYNJXEOBIJQY-CABCVRRESA-N 312.373 -0.009 30 20 DBED COc1cc(C#N)ccc1OCC(=O)N[C@@]1(C(N)=O)CCOC1 584664466 GYJJHAQDLJGXOM-HNNXBMFYSA-N 319.317 -0.294 30 20 DBED N#Cc1ccc(S(=O)(=O)NCC(=O)NC2[C@H]3CNC[C@H]23)cc1 592554605 JHBMVBRNUFQLJN-RYUDHWBXSA-N 320.374 -0.829 30 20 DBED CCN1C[C@H](CNS(=O)(=O)N(C)C[C@H](C)C#N)CC1=O 593641831 UAOSLWXWFROZQS-MNOVXSKESA-N 302.400 -0.219 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)NC[C@H](C(=O)O)C2CCC2)CCO1 596025784 ZNWGUFZJVBWQRU-MNOVXSKESA-N 317.367 -0.454 30 20 DBED C=CCn1c(-c2cn(C)nn2)nnc1N1CCC[C@@H](C(N)=O)C1 669039834 TWHKTFOUFDPIER-SNVBAGLBSA-N 316.369 -0.039 30 20 DBED C=CCNC(=S)NCCNS(=O)(=O)Cc1ccon1 749893095 GDBOWOQXKRVHPD-UHFFFAOYSA-N 304.397 -0.256 30 20 DBED C#C[C@@H](CC)NC(=O)NCCN1CCN(S(C)(=O)=O)CC1 753130465 MACDECJIUGNFNL-LBPRGKRZSA-N 316.427 -0.725 30 20 DBED C=C(CN(C)C)C(=O)NCC1CCN(S(C)(=O)=O)CC1 764625456 LIOYGMUYHJRQCB-UHFFFAOYSA-N 303.428 -0.108 30 20 DBED CN1C(=O)CC[C@H]1C(=O)NS(=O)(=O)c1cccc(C#N)c1 784816834 CQIKHCCHEKDKOJ-NSHDSACASA-N 307.331 -0.016 30 20 DBED CN1C(=O)NC2(CCN(C(=O)[C@@](C)(C#N)CC(=O)O)CC2)C1=O 820614736 MZCRBUIDVLCAMK-CYBMUJFWSA-N 322.321 -0.466 30 20 DBED C=CCN(CC=C)C(=O)COC(=O)C1(S(N)(=O)=O)CC1 845205361 FGKHNJPKFMDKAI-UHFFFAOYSA-N 302.352 -0.449 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2Cc3ccncc3C2)C1=O 848381955 ZDMIZCHPWKSHRO-UHFFFAOYSA-N 314.301 -0.099 30 20 DBED C#CC[C@H](CO)NS(=O)(=O)C[C@]1(OC(C)C)CCOC1 882341290 UAZWYCHWIWDKKH-OLZOCXBDSA-N 305.396 -0.126 30 20 DBED C#CCN1CCN(C(=O)Cn2cc3c(n2)CC[C@@H](O)C3)CC1 883007027 JVDDMUWGYRMSDN-CQSZACIVSA-N 302.378 -0.490 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCCN1C(=O)C(N)=O 944248630 NTTJPCHKGJFJDR-WOPDTQHZSA-N 309.366 -0.440 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)c2cc[n+]([O-])cc2)C1 944465282 IUXUGCHDNSIIPH-AAEUAGOBSA-N 318.333 -0.563 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@H](CNC(=O)c2ccnc(O)c2)C1 944543556 XOFOGDBMUASYOP-ZYHUDNBSSA-N 318.333 -0.096 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@H]3CCN(C(=O)C(N)=O)[C@@H]3C2)c1 953313337 JMPMPSGBKPXSER-CMPLNLGQSA-N 315.333 -0.565 30 20 DBED C[C@H]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)C(N)=O 955794488 GXDUGZFBGFOXIY-IUCAKERBSA-N 303.322 -0.519 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@]1(C)CCN(C(=O)C(N)=O)C1 957012074 ZGTNORHMSMRBLX-JRPNMDOOSA-N 309.366 -0.440 30 20 DBED CC#CCN1CCN(C(=O)c2cn(CC(=O)N(C)C)nn2)CC1 957778414 RWXMUJXDFRNTSP-UHFFFAOYSA-N 318.381 -0.853 30 20 DBED COc1cc(C)cnc1C(=O)NC[C@@H]1CN(CC#N)C[C@H]1O 958143967 ADLQLDDEICRMKG-VXGBXAGGSA-N 304.350 -0.055 30 20 DBED CC#CCN1C[C@@H](O)[C@@H](CNC(=O)c2ccnc3[nH]nnc23)C1 958248569 KVVLKYGAYLYJOK-CMPLNLGQSA-N 314.349 -0.601 30 20 DBED Cc1nnc(O)c(C(=O)NC[C@H]2CN(CC#N)C[C@H]2O)c1C 958313253 LVLMRHCWSUTMKN-WDEREUQCSA-N 305.338 -0.655 30 20 DBED N#CCN1C[C@@H](O)[C@H](CNC(=O)c2ccc(NC(N)=O)cc2)C1 958644634 LEUDDLDXDUCZST-DGCLKSJQSA-N 317.349 -0.277 30 20 DBED CN(C(=O)CN1C(=O)CNC1=O)C1CCC(NCC#N)CC1 964345727 UKJGYWKSIDOYCJ-UHFFFAOYSA-N 307.354 -0.579 30 20 DBED C[C@H](NC(=O)c1cc(C#N)c[nH]1)C1CN([C@@H]2CCNC2=O)C1 969463193 LBKVBJQVJXRXCJ-TVQRCGJNSA-N 301.350 -0.175 30 20 DBED C#CCOc1ncccc1C(=O)N1CC[C@@H](N[C@H](C)C(N)=O)C1 970511684 PDWJFGCOBIHLOL-VXGBXAGGSA-N 316.361 -0.229 30 20 DBED C=CCCN1C[C@H]2CC[C@H]1CN2C(=O)CN1CCNC(=O)C1 971677669 KWPWTHGHBPNAET-UONOGXRCSA-N 306.410 -0.331 30 20 DBED COc1cncc(C(=O)N2CC[C@]3(CN(CC#N)CCO3)C2)n1 972583406 SUAUTHZUIUXGEN-HNNXBMFYSA-N 317.349 -0.074 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CCC(=O)N3)C2)[nH]1 973181743 ZPWZEOQFYAGKFA-NHCYSSNCSA-N 315.333 -0.458 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@@H]2CCCN(C(=O)CC(N)=O)C2)c1 975191190 ZCTHXJJGINGVPD-JTQLQIEISA-N 317.349 -0.270 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2CCCN(C(=O)C(N)=O)C2)cn1 975432291 VAAQKSUCTGHTEZ-LLVKDONJSA-N 314.345 -0.483 30 20 DBED Cc1c(C(=O)N(C)C[C@H]2CCN2C(=O)[C@@H](C)C#N)nnn1C 977509918 WELPZQKMUQLDJQ-GXSJLCMTSA-N 304.354 -0.044 30 20 DBED C[C@H](NCc1nncn1C)[C@H]1CN(C(=O)C#CC2CC2)CCO1 979332746 LPSBKMAOCVRJFN-GXTWGEPZSA-N 317.393 -0.066 30 20 DBED CC[C@@H]1[C@@H](NC(=O)[C@@H]2CNC(=O)N2)CCN1C(=O)C#CC1CC1 985371097 CXYKTHRMJSMMGL-RWMBFGLXSA-N 318.377 -0.423 30 20 DBED C[C@@H]1C[C@H](NCC#N)CN1C(=O)Cn1nc2ccccn2c1=O 989261948 UHGPYRKNAKABLE-NEPJUHHUSA-N 314.349 -0.401 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CCCOC2)C1 990465448 XAXQVCFYEQGJJE-HIFRSBDPSA-N 319.405 -0.162 30 20 DBED N#Cc1cc(C(=O)NC2CN(C(=O)[C@H]3CC[C@H]3C(N)=O)C2)c[nH]1 990927711 GVXQNBIXYWUZQP-NEPJUHHUSA-N 315.333 -0.662 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)COC)C[C@@H]2O)nc1 991640363 PZGGHJWFINJPDW-OCCSQVGLSA-N 317.345 -0.599 30 20 DBED C#CCN1CCC(C(=O)N[C@H]2CCCN(CC(N)=O)[C@H]2C)CC1 994495860 HFWTUTBQGRSZQS-ZFWWWQNUSA-N 320.437 -0.214 30 20 DBED Cn1cc(C(=O)N2C[C@H](NCC#N)C(C)(C)C2)c(O)nc1=O 996603349 FWDXVCTXJHGZBU-JTQLQIEISA-N 305.338 -0.550 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC(NC(=O)[C@H]3CC[C@@H]3C(N)=O)C2)c1 997406207 QMWTZUBMYJCTGD-QWRGUYRKSA-N 315.333 -0.662 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)CO[C@@H]2CCOC2)C1 1000013586 KCLSENIKAZOBNS-MCIONIFRSA-N 324.377 -0.290 30 20 DBED N#Cc1c[nH]c(C(=O)NCC2CN(C(=O)Cc3nc[nH]n3)C2)c1 1001357389 NEQUGZKWKMFWQR-UHFFFAOYSA-N 313.321 -0.565 30 20 DBED C[C@@H](C#N)C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1ncn(C)n1 1002405228 IZVOKKGMRUZCNX-ZDCRXTMVSA-N 302.338 -0.164 30 20 DBED N#CCN1CCC[C@H](NC(=O)c2cn([C@@H]3CCOC3)nn2)C1 1009127995 DMJGEFOZUNCUNH-NWDGAFQWSA-N 304.354 -0.043 30 20 DBED Cn1ncc(C(=O)N2CCN(C(=O)C#CC3CC3)CC2)c1N 1011032266 DMWQIEZXIXQQPH-UHFFFAOYSA-N 301.350 -0.300 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C(=O)c2ccc(C(N)=O)o2)CC1 1011744643 DSTIJWPZEOYHKW-SECBINFHSA-N 304.306 -0.177 30 20 DBED O=C(C[C@@H]1CCNC1=O)NC1[C@H]2CN(C(=O)C#CC3CC3)C[C@H]12 1013221896 JTQNVAXFVRHFKP-AVGNSLFASA-N 315.373 -0.501 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2CCCN(C(=O)C(N)=O)[C@@H]2C)nc1 1015108219 XJIBWNGTFMMCTR-PWSUYJOCSA-N 314.345 -0.343 30 20 DBED C=CCCn1cc(C(=O)N[C@H]2C[C@H](N[C@@H](C)C(N)=O)C2)nn1 1020714266 QASVRONENFAZIO-DCAQKATOSA-N 306.370 -0.422 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCOC3)C[C@H]2O)c[nH]1 1023455020 DIMDCRXIILZKPG-OASPWFOLSA-N 318.333 -0.776 30 20 DBED Cn1nnc(CNC[C@H]2CCCN(C(=O)C#CC3CC3)C2)n1 1023979898 VQBZQOYSMKWTQB-CYBMUJFWSA-N 302.382 -0.048 30 20 DBED CN(Cc1nc(=O)n(C)[nH]1)[C@H]1CCCN(C(=O)C#CC2CC2)C1 1027405154 CQFHNDYBDUQURU-ZDUSSCGKSA-N 317.393 -0.055 30 20 DBED CN(CC#N)[C@H]1CCCN(C(=O)CC[C@@H]2NC(=O)NC2=O)C1 1027672978 BDZYEACUBMOWTM-QWRGUYRKSA-N 307.354 -0.579 30 20 DBED C=C(C)CN1CC[C@@H](N(C)C(=O)[C@H]2CCS(=O)(=O)N2)C1 1033671094 LZNDKHVJUJJRAL-VXGBXAGGSA-N 301.412 -0.213 30 20 DBED CC#CCN1CCO[C@H](CNC(=O)c2nccnc2C(N)=O)C1 1035597067 IHCQZIGSWYKWTK-LLVKDONJSA-N 317.349 -0.971 30 20 DBED C=C(C)CN[C@@H]1CCN(C(=O)Cn2ncn(C)c2=O)C[C@@H]1C 1036079652 HNVZFOJZPAHCTN-QWHCGFSZSA-N 307.398 -0.016 30 20 DBED CC[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)CC[C@@H]1NCC#N 1037868373 HUXWZEIEUURTPZ-NEPJUHHUSA-N 306.370 -0.678 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H]2CCN2CC(=O)N2CCC2)c1 1038153360 PCFIIYBYIBBNJK-GFCCVEGCSA-N 301.350 -0.077 30 20 DBED CC(C)N(C)CC(=O)NC[C@]1(O)CCN(C(=O)[C@@H](C)C#N)C1 1040098685 CUEQUUKSGMHJGS-SWLSCSKDSA-N 310.398 -0.434 30 20 DBED C=CCCCC(=O)N1CC[C@](O)(CNC(=O)c2cnn(C)n2)C1 1040303664 XOPILKMIFKRUIQ-HNNXBMFYSA-N 321.381 -0.135 30 20 DBED C=CCCCC(=O)NC[C@]1(O)CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 1040727064 MBQNXMQXBWDTED-BFQNTYOBSA-N 323.393 -0.456 30 20 DBED Cc1nn(C)cc1C(=O)N1CC[C@](O)(CNC(=O)[C@H](C)C#N)C1 1040759442 BATYDWRGFJBDIH-BMIGLBTASA-N 319.365 -0.419 30 20 DBED N#Cc1cccnc1N1C[C@@H](O)[C@H](NC(=O)c2csnn2)C1 1041263583 QBQWTABCXJNVAX-MWLCHTKSSA-N 316.346 -0.216 30 20 DBED CC#CCN1CC[C@]2(CCN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)C1 1041368889 RPXQCRJXTLTGCZ-LRDDRELGSA-N 318.377 -0.468 30 20 DBED C=CCCN1CC[C@@]2(CCN(C(=O)CN3CCNC(=O)C3)C2)C1 1041540243 LTQRAIDAKYENLH-QGZVFWFLSA-N 320.437 -0.081 30 20 DBED C#CCN1CC[C@H]2CCN(C(=O)c3cn(C)c(=O)n3C)C[C@H]21 1042371905 WLTFZIHLBGGEBZ-QWHCGFSZSA-N 302.378 -0.107 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)Cc2cncn2C)C1 1042799007 IEPGZGFJYMVJOK-UHFFFAOYSA-N 318.377 -0.544 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(O)CN(C(=O)c2[nH]ccc2C)C1 1042806800 KAMAAIOUVGQHEX-OAHLLOKOSA-N 321.377 -0.047 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(O)(CNC(=O)CC(C)(C)O)C1 1042826682 BSHACEMHGPOPQP-AWEZNQCLSA-N 314.382 -0.836 30 20 DBED C[C@@H]1CN(C(=O)[C@@H]2CCNC2=O)C[C@H]1N=c1cc[nH]cc1C#N 1043433472 UFYASXHWXRUYEK-MPKXVKKWSA-N 313.361 -0.230 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)c2cncnc2O)C1 1043582861 IQGKVTKUDFLVNE-UHFFFAOYSA-N 318.333 -0.855 30 20 DBED C#CCCN1CC(N(C)C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1 1043855661 GBBVOVJLXSUCEH-UONOGXRCSA-N 307.394 -0.212 30 20 DBED C=C(C)CN1CC(N(C)C(=O)[C@H]2CCN(C)S2(=O)=O)C1 1044035188 ABSFPMWMHDOFSX-GFCCVEGCSA-N 301.412 -0.261 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)CCCF)C1 1044859863 BOEXEDVJYYALKE-UHFFFAOYSA-N 300.330 -0.535 30 20 DBED C[C@H]1C[C@@H](NCC#N)CCN1C(=O)c1cn(C)c(=O)nc1O 1044860729 KMMQROXBTOQYGT-UWVGGRQHSA-N 305.338 -0.408 30 20 DBED CC[C@H](C(=O)NCC1(O)CN(C(=O)[C@@H](C)C#N)C1)N(CC)CC 1046376277 NOMGSLLURHSXCD-QWHCGFSZSA-N 324.425 -0.044 30 20 DBED C=CCN1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CNC(=O)N2)C1 1046968514 IHJYIWGSOXMHRO-VHSXEESVSA-N 302.325 -0.073 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCCN2C(=O)CC)C1 1047392295 ALOOMJMLXHJEGB-ILXRZTDVSA-N 321.421 -0.086 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC(=O)N(CCC)C2)C1 1047548117 RBQVHLVIIDVKCI-RDBSUJKOSA-N 307.394 -0.618 30 20 DBED C=CCOCC(=O)N(C)[C@H]1CN(C(=O)c2cccn2C)C[C@@H]1O 1048554722 DRJYZOVFMBEXPZ-KBPBESRZSA-N 321.377 -0.129 30 20 DBED CCn1cnc(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)C#N)C2)c1 1049393772 DXPNHQFIZQGLKC-WXHSDQCUSA-N 319.365 -0.294 30 20 DBED C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1cn(CC(N)=O)nn1 1049919760 PMLCSYTXEGKZMF-STQMWFEESA-N 316.365 -0.925 30 20 DBED Cc1nc2n(n1)C[C@H](C(=O)NC[C@@H]1COCCN1CC#N)CC2 1051044728 QDDWKVSNQVNLNJ-CHWSQXEVSA-N 318.381 -0.511 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)[C@H]1CCc2c[nH]nc2C1 1051253730 YHTRAIBUSKNVJQ-GXTWGEPZSA-N 302.378 -0.035 30 20 DBED C=CCN1CCN([C@H]2CCN(C(=O)[C@@H]3COCCO3)C2)CC1 1051986531 HLTYBTCBYWUAFV-GJZGRUSLSA-N 309.410 -0.194 30 20 DBED C#CCN1CCN([C@H]2CCN(C(=O)[C@H]3COCCO3)C2)CC1 1051987041 LOKWKDNDNLPYDD-LSDHHAIUSA-N 307.394 -0.747 30 20 DBED CC(=O)NCC(=O)NC[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1C 1052547353 FHQAYEHQRLWVLY-FZMZJTMJSA-N 305.378 -0.253 30 20 DBED C=CCN1CC2(C1)CN(C(=O)[C@H]1CCc3nncn3C1)CCO2 1053541138 UDDCKFPATNYIST-ZDUSSCGKSA-N 317.393 -0.060 30 20 DBED C#CCN1CC2(C1)CN(C(=O)[C@@H]1CCCN1C(N)=O)CCO2 1053550398 RKHHMZKBUIIBPS-LBPRGKRZSA-N 306.366 -0.924 30 20 DBED N#Cc1ccc(C(=O)NC[C@H]2CCC3(CN(CC(N)=O)C3)O2)[nH]1 1053593868 XLIPLNXHTPEQTQ-LLVKDONJSA-N 317.349 -0.665 30 20 DBED C=C(C)CN[C@@H]1CN(C(=O)CN2CCN(C)C(=O)C2)C[C@@H]1C 1054814837 AGWSKEILMGVADG-UONOGXRCSA-N 308.426 -0.227 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@](CO)(NC(=O)CN2CCCC2)C1 1055953959 LXSMPECXQBOGRM-CZUORRHYSA-N 322.409 -0.288 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@](CO)(NC(=O)c2cccnn2)C1 1056076346 HFHPZOQLYXUQOB-XHDPSFHLSA-N 317.349 -0.280 30 20 DBED Cn1ncc(C(=O)NC2[C@H]3CN(c4ccc(C#N)nn4)C[C@H]23)n1 1056256405 KRJJGCNQZPXSMZ-UWVGGRQHSA-N 310.321 -0.659 30 20 DBED N#Cc1nccnc1N1C[C@@H]2C(NC(=O)Cc3nc[nH]n3)[C@H]2C1 1056297418 OXPRCUZGWRQMIB-IUCAKERBSA-N 310.321 -0.740 30 20 DBED N#Cc1cnccc1N1CCCN(C(=O)[C@H]2CNC(=O)N2)CC1 1057216308 NHYDPZJOIMGSOA-GFCCVEGCSA-N 314.349 -0.327 30 20 DBED N#Cc1c[nH]c(C(=O)N(CCO)CCNC(=O)C(F)F)c1 1057291858 SBJIXUOTWISQIE-UHFFFAOYSA-N 300.265 -0.298 30 20 DBED Cn1nccc1C(=O)NCCN(CCO)C(=O)C#CC1CC1 1057531105 FHVRDXAOAXSDKV-UHFFFAOYSA-N 304.350 -0.616 30 20 DBED CS(=O)(=O)CC(=O)N1CCC[C@H](Nc2cnc(C#N)cn2)C1 1057576629 FIKYHSQGUDXELR-JTQLQIEISA-N 323.378 -0.204 30 20 DBED C#CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)C[C@@H](C)OC 1057583574 UCIBEQNNTVGTJC-OLZOCXBDSA-N 314.382 -0.613 30 20 DBED N#Cc1cncc(N2CCC[C@@H](NC(=O)[C@H]3CCC(=O)N3)C2)n1 1058127083 IKMSIPTYKVRCNG-ZYHUDNBSSA-N 314.349 -0.288 30 20 DBED N#Cc1cnc(N2CCC[C@@H](NC(=O)[C@@H]3COC(=O)N3)C2)cn1 1058151869 FKEFSZCAULLDSN-KOLCDFICSA-N 316.321 -0.458 30 20 DBED CN1C[C@@H](C(=O)N[C@H]2CCN(c3ccc(C#N)nc3)C2)NC1=O 1058504190 JEMLLAFZROKXNR-AAEUAGOBSA-N 314.349 -0.328 30 20 DBED N#Cc1cncc(N[C@H]2C[C@@H](NC(=O)[C@@H]3CCC(=O)NC3)C2)n1 1059878706 FSVFXEXOFWSZGF-MXWKQRLJSA-N 314.349 -0.066 30 20 DBED CCOCC(=O)NC[C@H]1COCCN1C(=O)c1ccc(C#N)[nH]1 1061238001 WQRDCYGDKWTYGF-LBPRGKRZSA-N 320.349 -0.120 30 20 DBED C=CC(C)(C)C(=O)NC[C@@H]1COCCN1C(=O)c1cnn(C)n1 1061753716 QXXCKEYPLXNOTE-LLVKDONJSA-N 321.381 -0.016 30 20 DBED C=CCOCC(=O)N1CCCC[C@@H]1CNC(=O)[C@@H]1CCNC1=O 1062070003 UYGXEEFRZUTERX-CHWSQXEVSA-N 323.393 -0.178 30 20 DBED C#CCOCCC(=O)NC1(CNC(=O)CNC(C)=O)CCC1 1062412481 RDVCOQWTWPWBQS-UHFFFAOYSA-N 309.366 -0.683 30 20 DBED CN(C(=O)[C@@H]1CCNC1=O)[C@@H]1CCN(c2nccnc2C#N)C1 1063004955 STOBJXQSRXCCLT-GHMZBOCLSA-N 314.349 -0.479 30 20 DBED N#Cc1cnccc1N1C[C@H]2C[C@H]1[C@@H]2NC(=O)Cn1cnnn1 1064217358 ROLLDUDSIDBMPK-LJWDBELGSA-N 310.321 -0.667 30 20 DBED Cn1nncc1C(=O)N[C@H]1[C@H]2C[C@H]1N(c1ccc(C#N)nn1)C2 1064251306 WMALSPCROZAVJP-PLMOITTCSA-N 310.321 -0.516 30 20 DBED C#CCCCC(=O)NC[C@H]1CCC2(CN(C(=O)C(N)=O)C2)O1 1068562245 BUGXXKQTYDSUJM-LLVKDONJSA-N 307.350 -0.849 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1COC2(C1)CN(C(=O)Cc1cc[nH]n1)C2 1069001872 AGZXOWOKXZZWQV-JQWIXIFHSA-N 317.349 -0.402 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1COC2(C1)CN(C(=O)c1cocn1)C2 1069002109 CCYYYMPXNHDNRI-VHSXEESVSA-N 304.306 -0.066 30 20 DBED C[C@@H]1C[C@@H](Nc2cnc(C#N)cn2)CN1C(=O)Cn1cnnn1 1069006686 VFJVIMDBALZRAS-NXEZZACHSA-N 313.325 -0.564 30 20 DBED CC#CCN1CCn2ncc(CNC(=O)[C@H]3CNC(=O)N3)c2C1 1069872540 RFKRQUJQTUIIBP-GFCCVEGCSA-N 316.365 -0.980 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H]2CCCCO2)C1 1069910861 LWFKCJCXRAYLIR-RDBSUJKOSA-N 303.366 -0.178 30 20 DBED Cc1cnoc1C(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1 1070068290 RKXZPCWWPUYDSG-MNOVXSKESA-N 301.310 -0.247 30 20 DBED Cc1cc(C(=O)N2C[C@H](n3ccnn3)[C@H](NCC#N)C2)ncn1 1070182831 BGVVQUDFTHNHLX-OLZOCXBDSA-N 312.337 -0.445 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCCN(C(=O)c2cnnn2C)C1 1070680562 SITIQTRQVARVEW-GFCCVEGCSA-N 319.365 -0.424 30 20 DBED C=C(C)CN1C[C@H]2C[C@@H]3CN(C(=O)[C@@H]4COC(=O)N4)C[C@@]3(C1)O2 1070793164 AFVJLGVIKBBZDK-NFFDBFGFSA-N 321.377 -0.027 30 20 DBED C=CCN1C[C@H]2C[C@H]3CN(C(=O)[C@H]4CNC(=O)N4)C[C@@]3(C1)O2 1070844704 KGJPMNVNPQDKCU-FUTJPDQTSA-N 306.366 -0.845 30 20 DBED Cc1nc(CC(=O)N2C[C@H](C)O[C@]3(CCN(CC#N)C3)C2)n[nH]1 1071166309 GIYRCNNFNIHGSF-NHYWBVRUSA-N 318.381 -0.129 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CC2(CCN(CC(N)=O)C2)C1 1072748028 SMIFYEDIVONOQM-OLZOCXBDSA-N 307.394 -0.013 30 20 DBED C[C@@H]1CN(C(=O)Cc2nc[nH]n2)C[C@@H]1NC(=O)C#CC1CC1 1072777708 HJGAKHTZLBKIRO-PWSUYJOCSA-N 301.350 -0.276 30 20 DBED Cn1nnc(C(=O)N2CCC(C)(NC(=O)C#CC3CC3)CC2)n1 1073197747 WOONVYISTJYEOP-UHFFFAOYSA-N 316.365 -0.266 30 20 DBED CCN1CCO[C@H](C(=O)NC[C@@H]2CN(CC#N)CCCO2)C1 1073895721 ADUAAAIVPSHWNT-KGLIPLIRSA-N 310.398 -0.562 30 20 DBED C=CCN1CC[C@@H](N[C@H]2CCN(C(=O)c3cnn[nH]3)[C@H]2C)C1=O 1074724249 BVCQBRDIUHPFLR-SDDRHHMPSA-N 318.381 -0.216 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)[C@H](OC)C1CC1 1076329878 GCENRHMKHUOLGO-XHDPSFHLSA-N 323.393 -0.438 30 20 DBED C=CCOCC(=O)N[C@@H](C)CCNC(=O)[C@H]1CCCNC1=O 1076972768 QZLROKNJPWKYMS-RYUDHWBXSA-N 311.382 -0.274 30 20 DBED C#CCOCCC(=O)N(CC)C1CN(C(=O)[C@H](C)CC(N)=O)C1 1079771192 URPCBRPYXABIGY-GFCCVEGCSA-N 323.393 -0.403 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC(CO)(NC(=O)C2CC2)CC1 1080662349 JHIDKCVDNRISFC-LBPRGKRZSA-N 308.378 -0.096 30 20 DBED N#CCSCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2ccc[nH]2)C1 1081249360 XSUJNKCUQGKKSS-PWSUYJOCSA-N 322.390 -0.179 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)c2ccncn2)C[C@H]1O 1081335716 ORGVNUSWNXEYAH-DGCLKSJQSA-N 304.350 -0.008 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)c2cn(CC)nn2)C[C@H]1O 1081335768 PFSGSCWSPPHGLE-DGCLKSJQSA-N 321.381 -0.187 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)Cn2cccn2)C[C@@H]1O 1081344067 LRNUCHWWMHOCGT-STQMWFEESA-N 322.365 -0.979 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)Cc2ccon2)C[C@@H]1O 1081346861 NJEOXJZUZYPSFB-YPMHNXCESA-N 323.349 -0.645 30 20 DBED C#CCCCCC(=O)N1C[C@H](O)[C@H](CNC(=O)CC(=O)NC)C1 1081431745 UFDPVFSKTGBZEI-OLZOCXBDSA-N 323.393 -0.748 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2CN(CC(=O)NC)C[C@H]2OC)c1 1082117315 XJKYIYKWSSUAFT-ZIAGYGMSSA-N 316.361 -0.762 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1c[nH]c(=O)cn1 1083177947 VDXNHNCDVYTKHR-QWHCGFSZSA-N 302.334 -0.682 30 20 DBED C=C(C)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)CCn1cnnn1 1083232533 GBZWZYXNGPEJHB-QWHCGFSZSA-N 306.370 -0.449 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cn(C)c(=O)n1C 1083285737 DACBTJJFVAUSTF-GXTWGEPZSA-N 318.377 -0.728 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)c2ccc(=O)n(CC)n2)C1 1083869757 WZZRCQCNBRFXPD-OLZOCXBDSA-N 306.366 -0.386 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)C2(N3CCOCC3)CCC2)C1 1083902326 MMXOJPOYGJFFAI-CABCVRRESA-N 323.437 -0.021 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)c2ccc(C(=O)NC)nc2)C1 1083963759 FHJOSNODVSULLH-KGLIPLIRSA-N 318.377 -0.208 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)Cn2c(C)c(C)sc2=O)C1 1084090937 PYHLLRQJYQZEBF-OLZOCXBDSA-N 323.418 -0.289 30 20 DBED C=CCN1CC[C@@H]2CN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C[C@@H]2C1 1088122945 XRYYEYQSUWPFIO-WOPDTQHZSA-N 306.366 -0.449 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2cc3n(n2)CCCO3)[C@H](O)C1 1090419927 DFQWZIYSAVJXOZ-TZMCWYRMSA-N 318.377 -0.146 30 20 DBED C[C@H](NC(N)=O)C(=O)NC1[C@H]2CN(c3ccc(C#N)cn3)C[C@H]12 1093258395 LEWMXUASZPWYAK-LSJOCFKGSA-N 314.349 -0.439 30 20 DBED C#CCOCCC(=O)NCCN=c1cc[nH]c(C(=O)OC)n1 1093893240 RNDPROLPUJIZCI-UHFFFAOYSA-N 306.322 -0.747 30 20 DBED N#Cc1ccc(NCCNC(=O)c2cnn3c(=O)cc[nH]c23)nn1 1094160172 AJSMBIUZAZXSLM-UHFFFAOYSA-N 324.304 -0.474 30 20 DBED N#Cc1nc(=NCCNC(=O)CCCNC(=O)C2CC2)cc[nH]1 1094196347 DBVMRNOSAXFUHH-UHFFFAOYSA-N 316.365 -0.395 30 20 DBED Cc1nc(NCCNC(=O)CN2CCOCC2=O)ccc1C#N 1094211296 ZYQUAAGEQWSXTM-UHFFFAOYSA-N 317.349 -0.351 30 20 DBED N#Cc1nccnc1NCCCNC(=O)CN1CCOCC1 1094371836 VBDHMAYJARCQCP-UHFFFAOYSA-N 304.354 -0.401 30 20 DBED N#Cc1ccc(NCCCNC(=O)[C@H]2CCS(=O)(=O)N2)nc1 1094438616 IAISDJTYUCHQBN-LLVKDONJSA-N 323.378 -0.437 30 20 DBED N#CCN1CC(N2C[C@@H](NC(=O)c3ccncc3F)CC2=O)C1 1094717428 KMESVSTXXJFGFM-JTQLQIEISA-N 317.324 -0.241 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)Cn3cncc3C)CC2=O)C1 1094760558 ULAXUTQQWFXRHI-CYBMUJFWSA-N 317.393 -0.221 30 20 DBED CN(c1ccc(C#N)cn1)[C@@H]1CCN(C(=O)CNC(N)=O)C1 1095091805 VOHIJYSZZJIJNC-LLVKDONJSA-N 302.338 -0.341 30 20 DBED CNC(=O)NCC(=O)NCCCN(C)c1ccnc(C#N)n1 1095762931 MDOUWCQWFWANDP-UHFFFAOYSA-N 305.342 -0.780 30 20 DBED COCC(=O)NCCCN1CCN(c2cncc(C#N)n2)CC1 1096244867 AEONCOOBPRGXTR-UHFFFAOYSA-N 318.381 -0.377 30 20 DBED CNC(=O)NCC(=O)NC[C@H](N=c1cc[nH]cc1C#N)C1CC1 1096838271 YYMJHMQPLCPLMA-ZDUSSCGKSA-N 316.365 -0.389 30 20 DBED CNC(=O)NCCC(=O)N[C@H]1C[C@@H](Nc2cncc(C#N)n2)C1 1097179911 NIVIRTGBULDXNR-AOOOYVTPSA-N 317.353 -0.274 30 20 DBED Cc1cc(=N[C@@H](C)CNC(=O)[C@H]2COCCN2C)c(C#N)c[nH]1 1097765791 YEVYTBMAMXYKBZ-SWLSCSKDSA-N 317.393 -0.069 30 20 DBED C[C@H](CCNC(=O)[C@@H]1CCNC1=O)N=c1cc[nH]c(C#N)n1 1099617271 SPGITICTXVGVAC-ZJUUUORDSA-N 302.338 -0.787 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)c2ccc(O)nn2)[C@@H](O)C1 1099641889 JDWWKHIDSGOXED-YPMHNXCESA-N 322.365 -0.450 30 20 DBED C=CCCCCCN1CC[C@@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 1099645029 MVHIOKNYNXEBDF-KGLIPLIRSA-N 322.413 -0.029 30 20 DBED N#CCSCC(=O)N[C@H]1CCN(CCn2cccn2)C[C@H]1O 1099687023 NXCOSWLSRKDOPA-QWHCGFSZSA-N 323.422 -0.309 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)CSCC#N)[C@@H](O)C1 1099693388 QZZHABCMAKAVDW-OLZOCXBDSA-N 311.407 -0.556 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H](O)C1 1099757428 FKMDTKDNWVZMSD-HIFRSBDPSA-N 316.361 -0.299 30 20 DBED Cc1cc(C#N)nc(N(C)CCNC(=O)c2cc(=O)n(C)o2)n1 1100077640 QDDKQTBBSKHLGB-UHFFFAOYSA-N 316.321 -0.185 30 20 DBED C#CCNC1CC(CNC(=O)[C@@H](C)NS(=O)(=O)CC)C1 1100350978 GNXMLPZPCOHERI-VOMCLLRMSA-N 301.412 -0.568 30 20 DBED CCN(CCNC(=O)[C@@H]1CCC(=O)N1C)c1nccnc1C#N 1100679486 YGYVNLYTRQVUMG-LBPRGKRZSA-N 316.365 -0.088 30 20 DBED C#CCNC(=O)[C@H](C)NC1CC(CNC(=O)CC(=O)N(C)C)C1 1100741357 UEYSBGHIBSQNDH-HIFPTAJRSA-N 322.409 -0.913 30 20 DBED C=CCNC(=O)CNC1CC(CNC(=O)[C@@H]2CCC(=O)N2)C1 1100891829 MDWVLMCMMLTULJ-MCIGGMRASA-N 308.382 -0.948 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)[C@H]1CN2CCC1CC2 1101801605 BQWMZOXWTZNHHJ-ZDUSSCGKSA-N 314.393 -0.018 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)[C@H](OC)C2CC2)C1 1101932059 DJFIXEUVHMTFDN-XNRPHZJLSA-N 321.421 -0.155 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1CNC(=O)Cn1ccc(O)nc1=O 1102128811 XLJXWUDYQJRHRW-GHMZBOCLSA-N 305.338 -0.843 30 20 DBED COC(=O)NCC(=O)N(C)[C@H]1CCN(c2ccc(C#N)nn2)C1 1102671587 PWPSINOALFHOOB-NSHDSACASA-N 318.337 -0.259 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CCCCN(c2nccnc2C#N)C1 1102854671 VZMNKIODMMITGY-LLVKDONJSA-N 316.365 -0.041 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1CCNC(=O)C[C@H]1CC(=O)NC1=O 1103789687 MPDYIWBBSVMQCM-UTUOFQBUSA-N 306.366 -0.363 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)CCn1cncn1 1104460985 ZTJQYRHQLIHENX-NSHDSACASA-N 314.353 -0.289 30 20 DBED CNC(=O)NCC(=O)N(C)[C@H](C)CNc1cncc(C#N)n1 1104856633 YJWYUKCVUDVZQO-SECBINFHSA-N 305.342 -0.464 30 20 DBED C=CCNCc1cn(C2CN(C(=O)[C@H]3COCCN3C)C2)nn1 1105215759 IMMBDBJPKBKWMZ-CQSZACIVSA-N 320.397 -0.732 30 20 DBED N#CCNCc1cn(C2CN(C(=O)[C@@H]3C[C@H]4C=C[C@H]3O4)C2)nn1 1105272239 DDBSHYPPJQQYSU-MGPQQGTHSA-N 314.349 -0.382 30 20 DBED C#CCN1CC(OC2CCN(C(=O)C(=O)NCC3CC3)CC2)C1 1105730276 LQDKIJPOHNTHHV-UHFFFAOYSA-N 319.405 -0.162 30 20 DBED CN1CCC[C@@H]1C(=O)NC[C@H](O)CN=c1cc[nH]cc1C#N 1105756117 PHUPCMVTUHFLLH-TZMCWYRMSA-N 303.366 -0.642 30 20 DBED Cc1cc(C#N)nc(NC[C@H](O)CNC(=O)Cn2ccnc2)n1 1105881815 AGMVZMLOFHKZDZ-GFCCVEGCSA-N 315.337 -0.558 30 20 DBED CN1CCC(C(=O)NC[C@@H](O)CNc2ccc(C#N)nn2)CC1 1105881949 BSGHRSGWVVIVQV-ZDUSSCGKSA-N 318.381 -0.421 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)CCCC(N)=O)cn1 1105882952 OHRCCAYYJLPALB-GFCCVEGCSA-N 305.338 -0.502 30 20 DBED N#Cc1cncc(NC[C@H](O)CNC(=O)CCCCC(N)=O)n1 1105958105 VTBWSDBTUMGHJN-NSHDSACASA-N 320.353 -0.717 30 20 DBED COCCO[C@@H](C)C(=O)NC[C@@H](O)CNc1nccnc1C#N 1105963944 WDSOUEIBLSMFTC-QWRGUYRKSA-N 323.353 -0.711 30 20 DBED Cc1cncn1CC(=O)NC[C@H](O)CNc1cncc(C#N)n1 1106026714 POSHJLFRECCCKG-GFCCVEGCSA-N 315.337 -0.558 30 20 DBED C[C@@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)[C@H]1CCN(C)C1=O 1106532183 ZPKCUPZNJHOIGW-WDEREUQCSA-N 316.365 -0.445 30 20 DBED C#CCN1CC[C@@]2(CNC(=O)CS(=O)(=O)NC)CCC[C@@H]12 1107635009 COHHQSCZRPXRBE-TZMCWYRMSA-N 313.423 -0.470 30 20 DBED C[C@H](CNc1cncc(C#N)n1)NC(=O)Cn1cnnc1O 1107726070 KGNXPERDFLPTSN-MRVPVSSYSA-N 302.298 -0.738 30 20 DBED CN1CC[C@@H](C(=O)NC[C@]2(C)CN(CC#N)CCO2)CC1=O 1108031826 HOCPHQVIUZMJKG-IUODEOHRSA-N 308.382 -0.415 30 20 DBED C=C(C)CN1CCO[C@@](C)(CNC(=O)c2nnc(O)nc2O)C1 1108051935 SIYYULDWGMNUIB-AWEZNQCLSA-N 323.353 -0.320 30 20 DBED C#CCNC(=O)CN1CCO[C@@](C)(CNC(=O)C(C)(C)C)C1 1108358723 RZDFOGMFCYOKFI-INIZCTEOSA-N 309.410 -0.011 30 20 DBED CC#CCN1CC(N2C[C@@H](NC(=O)[C@@H](OC)C3CC3)CC2=O)C1 1108539269 ZMVSYXYSPBBVPS-BBRMVZONSA-N 319.405 -0.164 30 20 DBED C[C@@H](CNc1cnc(C#N)cn1)NC(=O)[C@H](C)S(C)(=O)=O 1108773674 KAOSYCPGPINZMK-IUCAKERBSA-N 311.367 -0.302 30 20 DBED CC(=O)N(C)CC(=O)N[C@@H](C)CN(C)c1nccnc1C#N 1108827237 JBNMZNIIKHQQJG-JTQLQIEISA-N 304.354 -0.233 30 20 DBED CN(CCCNc1cnc(C#N)cn1)C(=O)CCNC(N)=O 1109450891 QKTFGGPPJYLGHI-UHFFFAOYSA-N 305.342 -0.333 30 20 DBED N#Cc1ccc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)CCn2cnnn2)cn1 1109717881 ICTQSYXEXGTYST-RIEGTJTDSA-N 324.348 -0.277 30 20 DBED CN(C)C(=O)CC(=O)N[C@H]1[C@H]2C[C@H]1N(c1ccc(C#N)nn1)C2 1109743617 XBNHSVCVDSZNMT-ISOBSLSZSA-N 314.349 -0.480 30 20 DBED N#Cc1nc(=NC[C@H](NC(=O)Cc2nc[nH]n2)C2CC2)cc[nH]1 1109899626 KCEVWRSNALWXQA-JTQLQIEISA-N 312.337 -0.562 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H](NC(=O)C1(C(N)=O)CC1)C1CC1 1109963303 AUPHVYLXJQWBSH-CYBMUJFWSA-N 313.361 -0.053 30 20 DBED C=CCOCC(=O)NC[C@@]1(O)CCN(c2cc(F)ncn2)C1 1111039401 GIJUIRFHFRQWJC-AWEZNQCLSA-N 310.329 -0.124 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)Cn2cc(C)cn2)CC1 1112657800 YXURONLXMCLFTA-CQSZACIVSA-N 317.393 -0.526 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)CC[C@@H]2CCOC2)CC1 1112758987 ACTAFLMXEBOVRJ-CYBMUJFWSA-N 308.382 -0.413 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)c2n[nH]c(C)c2O)CC1 1112769049 UJRDJKLKTWQHNY-UHFFFAOYSA-N 307.354 -0.516 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 1112771290 OLHUBYUTNJDTMB-LBPRGKRZSA-N 313.361 -0.218 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)c2c[nH]c(=O)cn2)CC1 1113265159 FCDJLZFVQABCJR-NSHDSACASA-N 319.365 -0.782 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)C[C@@H]2CCC(=O)N2)CC1 1113422465 PILAOXKWTDKRET-STQMWFEESA-N 322.409 -0.510 30 20 DBED COCC#CCN1CCN(C(=O)CNC(=O)c2ccco2)CC1 1113606504 QQXKSYOJNDOAFS-UHFFFAOYSA-N 319.361 -0.197 30 20 DBED Cc1ccc(C#N)c(N(C)[C@@H](C)CNC(=O)[C@@H]2CNC(=O)N2)n1 1113870546 YZKXQXACPGWCIH-JQWIXIFHSA-N 316.365 -0.116 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)CC3CCOCC3)[C@H]2C1 1114069784 OOKKFSCRBPORTI-KBPBESRZSA-N 319.405 -0.401 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)CO[C@H]3CCOC3)[C@H]2C1 1114278599 UJHMGRHFGZYMGC-TTZDDIAXSA-N 308.378 -0.512 30 20 DBED C#CCCN1C[C@H]2[C@H](NC(=O)CN(C)CC(=O)NC(C)C)[C@H]2C1 1114521362 NXYUWBZPWZGVOI-HALDLXJZSA-N 320.437 -0.488 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)[C@@]3(F)CCOC3)[C@@H]2C1 1114730486 BVXDDPKYFKBVEC-UEKVPHQBSA-N 311.357 -0.536 30 20 DBED C=C1CC(C)(C(=O)NC2[C@H]3CN(CC(=O)NC(=O)NC)C[C@H]23)C1 1114811996 AAJDWSCVUHSAEG-QWRGUYRKSA-N 320.393 -0.155 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)[C@H]3CC[C@@H](C)O3)[C@H]2C1 1114855718 CFSQQRNZONSIRR-MROQNXINSA-N 307.394 -0.098 30 20 DBED CC#CCN1C[C@@H]2C(NC(=O)CN(C)S(=O)(=O)CC)[C@H]2C1 1115051726 AODLRQGAWFKLJO-RYUDHWBXSA-N 313.423 -0.662 30 20 DBED CNC(=O)CC(=O)NCCOCCN(C)c1ccnc(C#N)n1 1115195600 ABDCGFIMXPOCRP-UHFFFAOYSA-N 320.353 -0.947 30 20 DBED C=CCCN1C[C@H]2C(NC(=O)CC[C@H]3NC(=O)NC3=O)[C@@H]2C1 1115216209 FCTDDBOATAHXLG-GMTAPVOTSA-N 306.366 -0.403 30 20 DBED N#CCN1C[C@H]2C(NC(=O)COc3cccc(C(N)=O)c3)[C@@H]2C1 1115292544 PWMLVRRHHMAVNW-CHWSQXEVSA-N 314.345 -0.266 30 20 DBED CC#CCN1C[C@H]2[C@H](NC(=O)CCNC(=O)[C@H]3CCCO3)[C@H]2C1 1115350917 WWGRNALUOVMGCB-CTASWTNQSA-N 319.405 -0.259 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N1CC[C@@H](n2cncn2)C1 1116663369 WGZOBUCSUMPZSC-LLVKDONJSA-N 313.383 -0.165 30 20 DBED C#CCNC(=O)C1CCN(C(=O)c2cccc(C(N)=O)n2)CC1 1116949256 IAGMUNWTTDRITI-UHFFFAOYSA-N 314.345 -0.218 30 20 DBED CN(C[C@@H]1CCCCO1)C(=O)C(=O)N1CC[C@](O)(CC#N)C1 1118247486 KNCYLAMGKGQDJT-SWLSCSKDSA-N 309.366 -0.109 30 20 DBED C[C@H](C#N)C(=O)NC1CC2(CC(NCc3nnnn3C)C2)C1 1120834971 RTLKIPJGJGGOHO-NJQQVTKISA-N 303.370 -0.113 30 20 DBED C[C@@H](CN(C)C(=O)[C@@H]1CCC(=O)NC1)N=c1cc[nH]c(C#N)n1 1120946881 FHAYVJQWBDMEAD-WDEREUQCSA-N 316.365 -0.445 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H](CO)CNC(=O)Cc1cncnc1 1121412863 WYSFSCQKSLJUBU-CYBMUJFWSA-N 312.333 -0.703 30 20 DBED COC(=O)c1nc(=N[C@H](CO)CNC(=O)C#CC(C)C)cc[nH]1 1121527407 BBXKBVXMYTZCDO-NSHDSACASA-N 320.349 -0.767 30 20 DBED Cc1nc(C)c(C(=O)NC[C@@H](CO)Nc2cncc(C#N)n2)[nH]1 1122593030 KBMKWQBFSPPSMI-NSHDSACASA-N 315.337 -0.109 30 20 DBED CC[C@H](NC(C)=O)C(=O)NC[C@H](CO)Nc1ccc(C#N)cn1 1122643079 BJJXWENODIILMM-OLZOCXBDSA-N 319.365 -0.243 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]cc1C#N)C(=O)c1cn[nH]c1 1124179922 LSDNJFZXOOYBAS-LBPRGKRZSA-N 300.322 -0.357 30 20 DBED C#CCO[C@@H](C)C(=O)NCCNCC[C@H]1CCS(=O)(=O)C1 1127046222 OFOITQUVXPZEQQ-STQMWFEESA-N 316.423 -0.445 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)Cc1ccn(CC)n1 1127731355 NVAHSYOLCAVTQL-GFCCVEGCSA-N 307.398 -0.158 30 20 DBED C=CC(C)(C)CC(=O)NCCNCC(=O)N1CCNC(=O)C1 1128242533 SKMQABANFYKOIW-UHFFFAOYSA-N 310.398 -0.747 30 20 DBED C#CCOCCC(=O)N1C[C@H](C)O[C@@]2(CCN(CC(N)=O)C2)C1 1131662744 XHJHRTXVVKDWML-XJKSGUPXSA-N 323.393 -0.797 30 20 DBED C#CCNC(=O)CN1C[C@H](NC(=O)c2ccncn2)CC[C@@H]1C 1132372324 PXIVUUBXDZOFLH-QWHCGFSZSA-N 315.377 -0.191 30 20 DBED C=C(Br)CNCCNC(=O)[C@@H]1CN(C)C(=O)N1 1132382291 HICIVCDWRNTHMG-QMMMGPOBSA-N 305.176 -0.376 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)C[C@H](C)NCc1nncn1C 1134131016 PKQVTIILIMXQPZ-RYUDHWBXSA-N 320.397 -0.673 30 20 DBED C=CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)Cn1cnnc1O 1134134110 CHMLUCNODQDMQI-GHMZBOCLSA-N 324.385 -0.841 30 20 DBED Cc1nc(O)[nH]c1C(=O)N[C@@H](C)C[C@H](C)NCC(=O)NCC#N 1134685878 WDNPJVYUKMNWJW-IUCAKERBSA-N 322.369 -0.450 30 20 DBED C[C@@H](C[C@@H](C)NCC(=O)NCC#N)NC(=O)c1ccn(C)n1 1146322689 IYPIXEBZLSFVFW-MNOVXSKESA-N 306.370 -0.454 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)Cc2[nH]cnc2C)C1=O 1149124041 PHWFUIPWHNLERE-LBPRGKRZSA-N 305.382 -0.247 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)[C@H]2CCN(C(C)=O)C2)C1=O 1149317848 PTJHQLJKRYQNNK-UONOGXRCSA-N 322.409 -0.653 30 20 DBED C#CCNC(=O)CN1CCCO[C@@H](CNC(=O)[C@@H](C)C#N)C1 1149406707 KAGHYWBEDDAJSI-STQMWFEESA-N 306.366 -0.897 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)Cn2ccccc2=O)C1=O 1150603298 FFTACXPKDPDWGM-ZDUSSCGKSA-N 318.377 -0.659 30 20 DBED C=C(C)CN1CCCO[C@@H](CNC(=O)CN2C(=O)CCC2=O)C1 1150685775 REZOAEPZNQOJFT-ZDUSSCGKSA-N 323.393 -0.081 30 20 DBED CCN(CC#CCOC)[C@H](C)CNC(=O)c1cc(=O)n(C)cn1 1153874471 BSODMQBKALJIMM-CYBMUJFWSA-N 320.393 -0.130 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)C[C@@H]2COC(=O)C2)C1=O 1156580164 VQRZOTONGQBHPW-STQMWFEESA-N 323.393 -0.178 30 20 DBED N#Cc1ccc(C(=O)NCCCN[C@@H]2CCC(=O)NC2=O)[nH]1 1156691934 XUNIQJUJRYQQTK-SNVBAGLBSA-N 303.322 -0.599 30 20 DBED C=CCOCCNCC1(CCNC(=O)[C@H]2CNC(=O)N2)CC1 1166902788 MDNGGLWCOVDIFX-GFCCVEGCSA-N 310.398 -0.254 30 20 DBED C#CCNCCCC[C@H](C)NC(=O)CN1C(=O)C(=O)N(C)C1=O 1175555719 IQBDWJDTJPXMGZ-NSHDSACASA-N 322.365 -0.695 30 20 DBED Cc1cc(C)n([C@H](C)C(=O)NCCCNCC(=O)NCC#N)n1 1177325243 KLENGIDNIATHDX-CYBMUJFWSA-N 320.397 -0.203 30 20 DBED N#Cc1cccc(C(=O)NCCc2nnc3c(=O)[nH]ccn23)n1 1177853202 NVTDPZOCVKZDHI-UHFFFAOYSA-N 309.289 -0.343 30 20 DBED C=CCOCC(=O)N1CC[C@H](N[C@@H](C)C(=O)NC(N)=O)[C@@H]1C 1178332165 HHSJDEOUJMZMBL-DCAQKATOSA-N 312.370 -0.649 30 20 DBED Cc1c[nH]nc1C(=O)N1CC[C@H](NCC(=O)NCC#N)[C@@H]1C 1178641887 YJPSQNUBKCTAHX-QWRGUYRKSA-N 304.354 -0.450 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)CN2CCCC2)[C@H]1C 1180132232 ZAYVBTTVLPRFDN-KKUMJFAQSA-N 320.437 -0.201 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2cnccn2)C1 1180736244 RZGZXBWWLPPKSC-NWDGAFQWSA-N 301.350 -0.581 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)CCn2cccn2)C1 1181011971 IUSPXZXNULFEOT-CYBMUJFWSA-N 303.366 -0.787 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2ncccc2C)C1 1181917065 LWJIVZWARBWIJZ-CYBMUJFWSA-N 300.362 -0.056 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)C2(COCC)CC2)C1 1183750916 JSJHQZUHTRVQOG-CYBMUJFWSA-N 307.394 -0.257 30 20 DBED N#CCN1C[C@@H]2CCN(C(=O)CNC(=O)c3cscn3)[C@@H]2C1 1189683673 RVYHZRPLVQTAEN-CMPLNLGQSA-N 319.390 -0.071 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)NC2)C1 1191080566 JBVCFGKYGRIMAH-CHWSQXEVSA-N 322.409 -0.653 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CN(Cc2noc3c2COCC3)C[C@H]1O 1191873302 TTWMSLOTHXMTJL-OASPWFOLSA-N 320.349 -0.432 30 20 DBED C=C(C)CCN(C)[C@@H]1CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)C1 1192696895 ZDOVBIWOYOKVTL-KGLIPLIRSA-N 324.425 -0.135 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(CC(=O)N(C)C2CC2)C[C@H]1O 1192751677 GBQWVMFXBWNGDI-ZIAGYGMSSA-N 307.394 -0.572 30 20 DBED CC(C)N(C)C(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)C#CC2CC2)C1 1192826114 AVULLWDEBHITFW-BPLDGKMQSA-N 321.421 -0.184 30 20 DBED C=CCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN(C(N)=O)C2)C1 1194523849 KNTAGOJSWNETCL-MGPQQGTHSA-N 324.425 -0.095 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)C2(NC(C)=O)CCCC2)C1 1196852334 CGRVMWZLVBVXDD-ZIAGYGMSSA-N 307.394 -0.380 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCCN(Cc2nnnn2C)CC1 1198337046 JGAIWKYUCJDPGE-LBPRGKRZSA-N 308.386 -0.165 30 20 DBED COc1ccccc1[C@@H](CNC(=O)Cn1cnnn1)NCC#N 1198522354 KTGCKJQJQJSKAD-GFCCVEGCSA-N 315.337 -0.348 30 20 DBED C#CCNC(=O)[C@H](C)NC1CCN(C(=O)CCOCC#C)CC1 1200523107 HWQDYJUBOASWQY-AWEZNQCLSA-N 319.405 -0.255 30 20 DBED C=C(Cl)CNC[C@H]1CN(C(=O)CNC(=O)NC)CCCO1 1200642052 RSRZLOVVQGPLQX-NSHDSACASA-N 318.805 -0.125 30 20 DBED C#CCNC[C@H]1CN(C(=O)COC[C@@H]2CCOC2)CCCO1 1201546933 NYZROPOZSVCIAF-CABCVRRESA-N 310.394 -0.120 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)CC(C)(C)O)CC1 1205112654 CJFVSQXXGDMHGY-UHFFFAOYSA-N 309.410 -0.275 30 20 DBED COCC#CCNCC1CCN(C(=O)Cn2ncnn2)CC1 1205296534 CBVYZSAPXXOXIO-UHFFFAOYSA-N 306.370 -0.849 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN([C@@H]2CCC(=O)NC2=O)C[C@H]1C 1206946285 RLZKLMWZRVXCMW-JHJVBQTASA-N 305.378 -0.113 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCCN(C(=O)c2cncnc2)C1 1207875874 ZFKIRHKRJBLAQG-OCCSQVGLSA-N 315.377 -0.191 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)c2ccnn2CC)C1 1207886539 ZSRJPNBAQPCKOP-CYBMUJFWSA-N 317.393 -0.153 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)c2cnnn2CC)C1 1207983601 SDBAXOGDPQNPRM-LBPRGKRZSA-N 318.381 -0.758 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)c2ccc[nH]2)[C@H](OC)C1 1211842039 LZPVBLHSGFSGOK-MRVWCRGKSA-N 318.377 -0.418 30 20 DBED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)CCCC(C)=O 1211851243 ISSGLYKTNQXMCQ-CHWSQXEVSA-N 324.381 -0.799 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)[C@H]2CC23CC3)[C@H](OC)C1 1213487924 NXQHVSRMJDNRLS-JHJVBQTASA-N 307.394 -0.096 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1OC 1213966927 YIGLFLSEFILLPK-YNEHKIRRSA-N 324.381 -0.967 30 20 DBED C#CCCCC(=O)N1CCO[C@@H]2CN([C@H](CC)C(N)=O)C[C@@H]21 1217763763 LBSFMBLHARCVDF-HZSPNIEDSA-N 307.394 -0.035 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)CCCCC)C1 1219196398 ZGWAKPORQIWIOS-MCIONIFRSA-N 309.410 -0.134 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)/C=C(\C)CC)C1 1219583759 OBYDPXIOEOVGCC-NJHQBVJRSA-N 307.394 -0.358 30 20 DBED CC(C)N(C)C(=O)CN1C[C@H](O)[C@H](NC(=O)C#CC2CC2)C1 1219591756 SWYPUELKDSEORP-KGLIPLIRSA-N 307.394 -0.572 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)Cc2nnc(C)o2)CC1 1227152375 VHFPEDYEOSMNRE-UHFFFAOYSA-N 319.365 -0.749 30 20 DBED C#CCOc1ccccc1CNC(=O)CN1C(=O)CNC1=O 1251869448 BYJCHYQYVKOAJV-UHFFFAOYSA-N 301.302 -0.133 30 20 DBED CNC(=O)C1CN(C(=O)C(=O)Nc2cc(C)nn2CCC#N)C1 1254996291 JUGNVVXDROSZTD-UHFFFAOYSA-N 318.337 -0.752 30 20 DBED C=CCNC(=O)CN1CCC[C@H](NC(=O)[C@]2(C)CCC(=O)N2)C1 1317981560 NMIOARLHVSHNAS-LRDDRELGSA-N 322.409 -0.462 30 20 DBED C=C[C@H](COC)NC(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 1320312487 NFAWWFZQQWJEDC-JIFFNSBPSA-N 322.361 -0.144 30 20 DBED COC[C@@H](C)NC(=O)C(=O)NCCNc1ncccc1C#N 1321508858 MQLVFILBWNIZBO-SNVBAGLBSA-N 305.338 -0.368 30 20 DBED N#CCNC(=O)CNC(=O)N1CC[C@H](C(F)(F)F)[C@H](CO)C1 1323174077 KIARBUMRQDVTDJ-IUCAKERBSA-N 322.287 -0.172 30 20 DBED CC(C)NC(=O)CCNC(=O)C(=O)NC1CCN(CC#N)CC1 1326479479 GXQVDNUYBFSQIS-UHFFFAOYSA-N 323.397 -0.879 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCc2cccnn2)C1=O 1328916062 FNGLWTJBUHZUIM-GFCCVEGCSA-N 317.349 -0.662 30 20 DBED C#CC1CCN(C(=O)C(=O)N2CCC[C@H](CNC(N)=O)C2)CC1 1332355449 GPPFOJIACZTEIF-CYBMUJFWSA-N 320.393 -0.235 30 20 DBED C#CCN(C(=O)C(=O)NC1CC(NS(C)(=O)=O)C1)C(C)C 1332669791 UCUKBKYZUHWCHV-UHFFFAOYSA-N 315.395 -0.947 30 20 DBED C#CCn1ccc(CN(CC)C(=O)C(=O)N(C)C[C@H](C)N)n1 1335393512 UNGLSQMHLSPSOO-LBPRGKRZSA-N 305.382 -0.330 30 20 DBED N#C[C@@H]1CCCN(C(=O)C(=O)N2CCN3CCOC[C@H]3C2)C1 1335526820 VWRDMKXNXRZUPR-QWHCGFSZSA-N 306.366 -0.708 30 20 DBED C#CCN(CC1CC1)C(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1 1335566267 CXGACWWXTCBKGO-LLVKDONJSA-N 324.406 -0.041 30 20 DBED C=CCn1c(C[C@H](O)CC#N)nnc1N1CCN(C)C(=O)[C@@H]1C 1339593968 IDGYOIZWDGELDY-NWDGAFQWSA-N 318.381 -0.052 30 20 DBED C=CCN(C(=O)C(=O)N[C@@H](CC)C(=O)N1CCOCC1)C1CC1 1342784479 HYTCEYCRMIAXNZ-ZDUSSCGKSA-N 323.393 -0.083 30 20 DBED CC(C)N1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)C1=O 1345700087 QKZUNGCFYNHXKO-TUAOUCFPSA-N 306.366 -0.080 30 20 DBED C#CCN(C(=O)C(=O)N1CCC(NC(=O)NC)CC1)C(C)C 1345827643 VJHKKLYENBENQV-UHFFFAOYSA-N 308.382 -0.223 30 20 DBED O=C(C#CC1CCNCC1)N1CC[C@H]2CS(=O)(=O)C[C@H]2C1 1349621138 OSQZSXWWKPMFIP-UONOGXRCSA-N 310.419 -0.118 30 20 DBED C#CCN1CCC(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)NC)CC1 1350316075 VBUSASKFJBVEAM-AWEZNQCLSA-N 317.393 -0.472 30 20 DBED C#C[C@@H](C)N(C)c1nnc(CC[C@]2(C)NC(=O)NC2=O)n1C 1355247512 KZMGVNMLJUDTBM-OTYXRUKQSA-N 304.354 -0.196 30 20 DBED N#Cc1cn(CC(=O)N2CCC[C@@H]2c2ncc[nH]2)c(=O)nc1O 1362680785 ORWBIIPORARWAO-SNVBAGLBSA-N 314.305 -0.093 30 20 DBED Cn1c(=O)[nH]c(NCCC(C)(C)S(C)(=O)=O)c(C#N)c1=O 1363149322 AECLTBMVZROWAY-UHFFFAOYSA-N 314.367 -0.430 30 20 DBED C[C@H](CC#N)NCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 1364445666 VTDVUKXZMPHDSF-LLVKDONJSA-N 324.406 -0.116 30 20 DBED N#Cc1ccc(CNC[C@H](O)CNC(=O)c2cnn[nH]2)cc1 1367610501 SWGJCDSRNPPTQI-LBPRGKRZSA-N 300.322 -0.443 30 20 DBED CNS(=O)(=O)CCC(=O)NC[C@H](C)N(C)C(=O)[C@H](C)C#N 1369843675 LMDGRQIKTMJBDK-ZJUUUORDSA-N 318.399 -0.952 30 20 DBED CC(=O)NCC(=O)NC[C@H](O)CNCc1ccc(C#N)cc1 1379157153 WFMOQUPWBVVULY-CQSZACIVSA-N 304.350 -0.739 30 20 DBED COCCN(CCNC(=O)[C@@H](C)C#N)C(=O)CN(C)C(C)=O 1384408943 IBSRNTMQWAXGBV-NSHDSACASA-N 312.370 -0.784 30 20 DBED CCN(CCC#N)C(=O)CN1CC(NC(=O)Cc2ncc[nH]2)C1 1391449718 FUTGVDTYBKRBDX-UHFFFAOYSA-N 318.381 -0.485 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)c2ccc(C(N)=O)nc2)CC1 1393815900 GPPBURJOSZBEPG-SECBINFHSA-N 315.333 -0.281 30 20 DBED C[C@@H](C#N)C(=O)N1CCCO[C@@H](CNC(=O)Cn2cncn2)C1 1396288770 OWRNYMSCAMWAMI-RYUDHWBXSA-N 320.353 -0.829 30 20 DBED CCN1CCOC[C@@H]1C(=O)NCCN(C(=O)[C@@H](C)C#N)C1CC1 1408925426 RQCZXHHHLYZEEK-GXTWGEPZSA-N 322.409 -0.026 30 20 DBED N#Cc1ccc(C(=O)NC[C@]2(O)CCS(=O)(=O)C2)c(F)c1 1412138148 NLODQHGLOIAZSM-CYBMUJFWSA-N 312.322 -0.023 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CN(C)C(=O)CN1CCCCC1=O 1413305437 ZAGCJUCOEAWZGJ-VXGBXAGGSA-N 324.381 -0.906 30 20 DBED C[C@H](C#N)C(=O)N1CC(CNC(=O)CN2CCCCC2=O)C1 1416106477 YCBLGPILEBBQNP-LLVKDONJSA-N 306.366 -0.267 30 20 DBED CC(=O)N1CCC(C(=O)N2CC(CNC(=O)[C@H](C)C#N)C2)CC1 1416118077 CLMNHCXMJDCJLR-LLVKDONJSA-N 320.393 -0.021 30 20 DBED CNS(=O)(=O)CC(=O)N[C@H](C)CNCc1ccccc1C#N 1422607325 RFXQJPNQJMENJU-LLVKDONJSA-N 324.406 -0.298 30 20 DBED CC[C@@H](CNC(=O)CCS(C)(=O)=O)NC(=O)[C@@H](C)C#N 1430637570 UTIPCRHUEGPPFQ-UWVGGRQHSA-N 303.384 -0.408 30 20 DBED C[C@H](C#N)C(=O)N(C)CCN(C)C(=O)c1cc(C(N)=O)c[nH]1 1431416276 ORDPNNSRUAUTHD-SECBINFHSA-N 305.338 -0.196 30 20 DBED CC(=O)N[C@H](C)C(=O)NCC1(NC(=O)c2ccc(C#N)[nH]2)CC1 1433832621 YDKAYPOMYZBCNO-SECBINFHSA-N 317.349 -0.210 30 20 DBED Cn1c(=O)[nH]c(N2CCC[C@H](C3(C)OCCO3)C2)c(C#N)c1=O 1434442795 NMCWTDTWNYACJY-JTQLQIEISA-N 320.349 -0.075 30 20 DBED C=C(Cl)CN[C@H](C)CNC(=O)CN1CCCS1(=O)=O 1437154282 WBWZLMPBMIJLFZ-SNVBAGLBSA-N 309.819 -0.131 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCC(=O)N1)N(C)C(=O)c1ccc(C#N)[nH]1 1442677398 DSRDDWMAYKHNRU-GXSJLCMTSA-N 317.349 -0.258 30 20 DBED CCN(CCC#N)C(=O)CN(C)C[C@H](C)NC(=O)c1cnn[nH]1 1445766129 SPBMXYYYNJGOGY-NSHDSACASA-N 321.385 -0.383 30 20 DBED Cc1ccnc2nc(C(=O)NC[C@@H](C)NC(=O)[C@@H](C)C#N)nn12 1452678895 CZCXNNFMQUSTQA-DTWKUNHWSA-N 315.337 -0.173 30 20 DBED COC[C@H](C)[C@@H](C)C(=O)NCCn1cc(C#N)c(O)nc1=O 1453843189 NGRBZJRYZZQXHS-VHSXEESVSA-N 308.338 -0.145 30 20 DBED CC[C@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)CNC(=O)OC 1456739738 CLKYXAJHANXOFJ-SNVBAGLBSA-N 321.337 -0.133 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1ccn(C(F)F)n1 1458003800 QFOVDXAOXRPKGI-SFYZADRCSA-N 315.280 -0.355 30 20 DBED COC(=O)C1(C#N)CCN(C(=O)CCn2cnccc2=O)CC1 1460027735 OUEWZZSZXKQWJS-UHFFFAOYSA-N 318.333 -0.061 30 20 DBED N#CCC1(CS(=O)(=O)N2CC[C@@H](S(N)(=O)=O)C2)CC1 1475105978 QUEIXJNASUZFFR-SECBINFHSA-N 307.397 -0.627 30 20 DBED N#Cc1ccc(C(=O)N2CC(NC(=O)CCCC(N)=O)C2)[nH]1 1498270626 YYRVBUUHSVYLKK-UHFFFAOYSA-N 303.322 -0.517 30 20 DBED CC[C@@H](CNC(=O)CN1CCC(=O)NC1=O)NC(=O)[C@H](C)C#N 1499372303 OBXWFVZVKRXAMZ-ZJUUUORDSA-N 323.353 -0.901 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@](C)(NC(=O)CN2CCOCC2)C1 1506446331 ZCMNIHPSEWZVGX-WFASDCNBSA-N 308.382 -0.415 30 20 DBED CNC(=O)NCC(=O)N1CCC(N(C)C(=O)[C@H](C)C#N)CC1 1510144047 XYEOIMQOWFIVST-SNVBAGLBSA-N 309.370 -0.476 30 20 DBED CC[C@H](CNC(=O)CCn1cnccc1=O)NC(=O)[C@H](C)C#N 1531452964 UOHVTRPCTADFIA-VXGBXAGGSA-N 319.365 -0.196 30 20 DBED C#CCNCc1cn([C@@H]2CCCN(C(=O)CNC(=O)O)C2)nn1 1573311168 IKPYQAGRIJXLQM-GFCCVEGCSA-N 320.353 -0.568 30 20 DBED C#Cc1ccc(C(=O)N[C@H](C)CNC(=O)CNC(=O)O)nc1 1573312344 SDHBNTJDZNVWMW-SECBINFHSA-N 304.306 -0.435 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCN(C)c1cnc(-c2nn[nH]n2)cn1 1573560607 DLEGQZRJDBYEKE-VIFPVBQESA-N 315.341 -0.289 30 20 DBED C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN[C@H](C)C1 1574947630 IJXXQXKPLCAMHS-LLVKDONJSA-N 313.427 -0.015 30 20 DBED N#Cc1ccc(NCCNC(=O)CN2CCC(N)CC2)nc1 1580070306 UDRCEFDVLFVMBM-UHFFFAOYSA-N 302.382 -0.096 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H](O)CNc1ncc(C(=O)O)cn1 1588489772 CKGHGBQVVXOWSL-MWLCHTKSSA-N 322.321 -0.898 30 20 DBED C#Cc1ccc(C(=O)N2CCC[C@H]2C(=O)NCC(=O)O)nc1 1588510483 FMDRFPSRFADIPY-LBPRGKRZSA-N 301.302 -0.132 30 20 DBED C=C(C)C[C@@H](NC(=O)CN(C)[C@H]1CCS(=O)(=O)C1)C(=O)O 1588542310 FUJFUILRXSQRKJ-WDEREUQCSA-N 318.395 -0.359 30 20 DBED N#Cc1nc(NC(=O)CCc2ncccn2)[nH]c1-c1nn[nH]n1 1592682842 FYTIXRPEDHEXJX-UHFFFAOYSA-N 310.281 -0.177 30 20 DBED Cc1cc(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)O)ncc1C#N 1594276273 YVVPNDOOESDNMY-LLVKDONJSA-N 323.330 -0.415 30 20 DBED N#Cc1ccc([C@H](C(=O)O)N2CCN(C(=O)CO)CC2)cc1 1601095015 DQYHCRYCRSUATI-CQSZACIVSA-N 303.318 -0.180 30 20 DBED C=CCOC[C@H](NC(=O)c1ccnn1CCN(C)C)C(=O)O 1602913414 PRRDNLQAWLWOKS-NSHDSACASA-N 310.354 -0.170 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)[C@H]1C[C@@H]1C(=O)O 1603700078 KEFHWMJALDSBCH-RYUDHWBXSA-N 310.350 -0.696 30 20 DBED N#CCNC(=O)CNC(=O)C(=O)Nc1ccc(C(=O)O)cc1F 1611291028 BRHMRKHRTYNDIG-UHFFFAOYSA-N 322.252 -0.782 30 20 DBED N#CCC1(O)CN(C(=O)Cn2nc(-c3ccccc3)oc2=O)C1 1649783297 HSJGLUANKQAWCV-UHFFFAOYSA-N 314.301 -0.010 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCCN(CCS(C)(=O)=O)C1 1660822461 KCIKMFARHFZICB-CYBMUJFWSA-N 316.423 -0.349 30 20 DBED C[C@H](N[C@H]1C[C@H](NC(=O)CSCC#N)C1)c1nnnn1C 1752613908 MTFVAIZAOUFTMV-GUBZILKMSA-N 309.399 -0.235 30 20 DBED COc1cc(C)cnc1C(=O)NC[C@@H](C)NCC(=O)NCC#N 1752879341 WPQWDMBGKBDZFF-LLVKDONJSA-N 319.365 -0.254 30 20 DBED CCCn1cc(C(=O)NC[C@H](C)NCC(=O)NCC#N)c(C)n1 1752909918 PQFPLTHYOMUOIP-NSHDSACASA-N 320.397 -0.051 30 20 DBED C=CCNC(=O)CN[C@H]1CCC[C@H](NC(=O)C2(C(N)=O)CC2)C1 1752976539 OQQSUVRUCTWPCJ-RYUDHWBXSA-N 322.409 -0.429 30 20 DBED C[C@@](O)(CC(=O)NC[C@H]1CCCN1CC(=O)NCC#N)C1CC1 1753101886 ZNEHGPKMPASFEE-CZUORRHYSA-N 322.409 -0.242 30 20 DBED CC(C)C#CC(=O)N(C)CCNCC(=O)N1CCO[C@@H](C)C1 1753187524 KRJSPFSUOBHIIA-AWEZNQCLSA-N 309.410 -0.059 30 20 DBED C=CCNC1(CNC(=O)[C@@H]2CCS(=O)(=O)N2)CCCC1 1753678562 MGCGJDVWXOQMDZ-NSHDSACASA-N 301.412 -0.117 30 20 DBED C=CCNC(=O)[C@H](C)NC/C=C/CNC(=O)C1=COCCO1 1754092238 KAFWNVXQEMQAFJ-ITKZLYELSA-N 309.366 -0.173 30 20 DBED C=CCN1CCC[C@@](CO)(NC(=O)C(=O)NCC(F)F)C1 1754855640 TYYNRPUENXVNRF-CYBMUJFWSA-N 305.325 -0.503 30 20 DBED C#CCNC(=O)CNC[C@H]1CN(C(=O)C=C2CCC2)CCO1 1754998762 UWBXYGBSGUYOHC-AWEZNQCLSA-N 305.378 -0.337 30 20 DBED C=CCNC(=O)CN[C@]1(CO)CCCN(C(=O)C(F)F)C1 1755081667 VGTNSKFGYCQSEI-CYBMUJFWSA-N 305.325 -0.503 30 20 DBED C[C@H]1CN(C(=O)CCCCC(N)=O)C[C@@H]1NCC(=O)NCC#N 1755119649 SBGISNYHMMKFBG-RYUDHWBXSA-N 323.397 -0.892 30 20 DBED CN1CC[C@H](C(=O)NC2CC(CNCC(=O)NCC#N)C2)C1 1755220446 MTLVQGNFDMXVEK-CPCZMJQVSA-N 307.398 -0.938 30 20 DBED C=CCN1CC[C@@H](N[C@H](C)CN(C)C(=O)c2cn(C)nn2)C1=O 1755585438 PXSFJRKVRIMHQB-VXGBXAGGSA-N 320.397 -0.348 30 20 DBED C#CCN[C@H](C)CN(C)C(=O)C[C@]1(C)CCS(=O)(=O)N1 1755613808 HJMPIRRWFMXBLX-YPMHNXCESA-N 301.412 -0.472 30 20 DBED C=CCOCCN1CC[C@]2(NC(=O)[C@@H]3CNC(=O)N3)CCC[C@H]12 1755702664 XFQVSWWDEGJRQG-HEHGZKQESA-N 322.409 -0.016 30 20 DBED C#CCNC[C@@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1C(F)(F)F 1755769158 ZPWATTRVKVDKNO-ZJUUUORDSA-N 316.287 -0.467 30 20 DBED CC(C)C#CC(=O)N[C@@H](C)[C@H](C)NC(=O)CN1C(=O)CNC1=O 1755967419 QLKAQGCCSQQDNJ-QWRGUYRKSA-N 322.365 -0.793 30 20 DBED N#CCSCC(=O)NCC1[C@@H]2CN(C(=O)c3cnon3)C[C@@H]12 1756193289 WIRNRFOSUBWEHE-UWVGGRQHSA-N 321.362 -0.239 30 20 DBED C=CCOCC(=O)NC[C@H]1[C@@H]2CN(C(=O)CN(C)C(C)=O)C[C@H]12 1756195585 WUTDTGDRESACRL-ZSOGYDGISA-N 323.393 -0.512 30 20 DBED C[C@H](C(=O)N(C)C[C@H](O)CNC(=O)C#CC1CC1)n1cccn1 1756654524 WYSGMEWXPNJJDG-TZMCWYRMSA-N 318.377 -0.207 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nccnc1C 1798279591 KQLFUIFRLPALBQ-JJLQDPRZSA-N 314.345 -0.379 30 20 DBED C[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)CN)C2 1800983927 AVHTVNOFCVPEGI-CSYMLDBXSA-N 315.439 -0.511 30 20 DBED C#CC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](N)CN)n[nH]1 1818016394 NJJNNJYISZMHNY-ONGXEEELSA-N 304.354 -0.679 30 20 DBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@@H]1F)CCO2 1832128532 MECHYWLMIHWNNG-XUJVJEKNSA-N 310.325 -0.566 30 20 DBED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)CN)C2 1841054268 FHDIRJROECODHU-PLNGDYQASA-N 306.366 -0.993 30 20 DBED Cc1ocnc1C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846196055 GXTWOLLGDCOSED-UHFFFAOYSA-N 317.301 -0.112 30 20 DBED C#CCNC(=O)COC(=O)CN1C(=O)NC2(CCCC2)C1=O 7555215 RBSSYABXFGNCQL-UHFFFAOYSA-N 307.306 -0.856 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)CNC(=O)CCC)CC1 63678568 XPYXDIHBNXEMBG-UHFFFAOYSA-N 310.398 -0.651 30 20 DBED N#Cc1ccc(S(=O)(=O)NCCCN2CCOCC2)cn1 164950642 HWJMSPUVSGDXQW-UHFFFAOYSA-N 310.379 -0.046 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(CCC)CC2)C1=O 264010670 FQWPZWYQXUDBKF-UHFFFAOYSA-N 322.365 -0.483 30 20 DBED C[C@H](O)C(=O)N1CCN(S(=O)(=O)c2cccc(C#N)c2)CC1 270862885 RONONTBMKKKISX-NSHDSACASA-N 323.374 -0.228 30 20 DBED C#CCN(CC#N)C(=O)CSCC(=O)N(CC#C)CC#N 281576252 RWEGIYGRMZQGNN-UHFFFAOYSA-N 302.359 -0.310 30 20 DBED C#CCN(C)CCCNC(=O)N1CCN(C(=O)COC)CC1 296751788 FCXGIDSGJFDTBT-UHFFFAOYSA-N 310.398 -0.558 30 20 DBED Cn1cc(N2CC[C@H](/N=C(/O)Cn3ncn(C)c3=O)C2=O)cn1 329088056 HSILYTSJJDTFEC-JTQLQIEISA-N 319.325 -0.923 30 20 DBED O=C1CCC(=O)N1CC/N=C(/O)N[C@@H]1CCc2c[nH]nc2C1 329830597 KFNIEYYSYRMYRF-SNVBAGLBSA-N 305.338 -0.080 30 20 DBED COCCN1CCC[C@@H]1C/N=C(/O)N1C[C@@H](O)C[C@H]1CO 330090883 XFQIBTKBXBXLDS-AGIUHOORSA-N 301.387 -0.561 30 20 DBED CN1C[C@H](/N=C(/O)N2CCN(c3cnccn3)CC2)CC1=O 330123830 HSMKRMAJAWKASA-LLVKDONJSA-N 304.354 -0.257 30 20 DBED CC(=O)NC[C@@H]1CN([C@@H](C)C(=O)N/C(O)=N/C(C)C)CCO1 330848905 YTWGKHPHYJKDED-CMPLNLGQSA-N 314.386 -0.350 30 20 DBED CCCN(CC(=O)OC)S(=O)(=O)N(CCC#N)CCOC 336931101 ZQFDDELUNUULIB-UHFFFAOYSA-N 321.399 -0.022 30 20 DBED Cc1nnc([C@H](C)NS(=O)(=O)N2CCO[C@H](C#N)C2)s1 336946039 NZCWBBMQLDSCQX-IONNQARKSA-N 317.396 -0.034 30 20 DBED COC(=O)[C@@H]1CN(S(=O)(=O)N(C)C[C@H](C)C#N)C[C@H](C)O1 337984165 DTTRILPHVMHKPE-VWYCJHECSA-N 319.383 -0.415 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCc2c[nH]nc2C)C1=O 340544904 ZYCRRCAURCEZFY-GFCCVEGCSA-N 319.365 -0.420 30 20 DBED N#CCNC(=O)CNC(=O)c1cc(Cl)ccc1-n1cnnn1 343524000 MBDDPYKEIAJHCR-UHFFFAOYSA-N 319.712 -0.315 30 20 DBED Cn1cc([C@@H](CO)NS(=O)(=O)c2cncc(C#N)c2)cn1 352067488 JPPZFQJVVABXHE-GFCCVEGCSA-N 307.335 -0.301 30 20 DBED C[C@H]1CN(S(=O)(=O)N(C)CCC#N)C[C@H](C)S1(=O)=O 352600620 SSOXYZFCHHWLAA-UWVGGRQHSA-N 309.413 -0.416 30 20 DBED C=C[C@@H](CO)NC(=O)NCc1ccc(OCC(N)=O)c(OC)c1 358567548 LCQQOMOJEGKKTN-NSHDSACASA-N 323.349 -0.095 30 20 DBED C=CCOC[C@@H](NC(=O)CS(=O)(=O)C(C)C)C(=O)OC 360738899 QIXOYEJUHRTXDD-SNVBAGLBSA-N 307.368 -0.330 30 20 DBED C[C@@H]1CN(Cc2cnc3c(C#N)cnn3c2)C[C@H](C(N)=O)O1 514862625 DMOFFNXMDATODN-BXKDBHETSA-N 300.322 -0.324 30 20 DBED CS(=O)(=O)N1CC[C@@H](NS(=O)(=O)CCCCC#N)C1 514865675 LBLLLSNFMLXDTL-SNVBAGLBSA-N 309.413 -0.366 30 20 DBED N#C[C@H]1CN(S(=O)(=O)NCc2ncccc2F)CCO1 548757589 XNLJZIBLDPLPQI-VIFPVBQESA-N 300.315 -0.221 30 20 DBED CC[C@H](NC(=O)N1CC[C@](O)(CC#N)C1)C(=O)N1CCOCC1 591974179 JJJMOQLADMYQHR-SWLSCSKDSA-N 324.381 -0.316 30 20 DBED N#CCCN1CCN(C(=O)C(=O)N2CC[C@@]3(CCOC3)C2)CC1 601475280 YCYMCDYLQKCVMU-MRXNPFEDSA-N 320.393 -0.317 30 20 DBED C[C@H](N)C1CCN(C(=O)C(=O)N2CCN(CCC#N)CC2)CC1 601582031 ITEZWCMAPDZOKC-ZDUSSCGKSA-N 321.425 -0.370 30 20 DBED CCC[C@H](C#N)NC(=O)CNS(=O)(=O)c1cn(C)c(C)n1 608853723 WOELWQBHKFXTRW-SNVBAGLBSA-N 313.383 -0.185 30 20 DBED N#Cc1ncn(CC(=O)N2CCC[C@@H]2CN2CCOCC2)n1 610885891 VJKYVFVTOVWKSF-GFCCVEGCSA-N 304.354 -0.527 30 20 DBED N#C[C@]1(F)CCN(C(=O)C(=O)Nc2cccc(C(N)=O)n2)C1 615634714 IGOFXXDVPNYBBU-CYBMUJFWSA-N 305.269 -0.417 30 20 DBED CN(C)CCn1ccc(=NC(=O)N=c2[nH]n(C)cc2C#N)[nH]1 615842305 KUIBOKQNIIYQGG-UHFFFAOYSA-N 302.342 -0.462 30 20 DBED C=CCCOCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 620163172 OXGLWZZGXBDNQG-CYBMUJFWSA-N 316.423 -0.090 30 20 DBED Cc1[nH]nc(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)c1O 747656063 ADBIPMFMAGBDCZ-XFXZXTDPSA-N 305.294 -0.320 30 20 DBED C#CCNC(=O)CN1CCC(C(=O)NCC(=O)OCC)CC1 749465641 IAWCJZDXSAOJJU-UHFFFAOYSA-N 309.366 -0.873 30 20 DBED CC(C)(C#N)CS(=O)(=O)NC(=O)Cn1ccc([N+](=O)[O-])n1 776140681 GZRKKNGSKSJYDT-UHFFFAOYSA-N 315.311 -0.213 30 20 DBED C#C[C@H](NC(=O)NCC1CN(S(C)(=O)=O)C1)[C@@H]1CCCO1 777637811 LJLFVQNNXVOXQZ-RYUDHWBXSA-N 315.395 -0.642 30 20 DBED C#CCOCCNS(=O)(=O)N1CCN(C(=O)OCC)CC1 784452238 TWZQALIXXSRWMU-UHFFFAOYSA-N 319.383 -0.755 30 20 DBED C#CCOc1cccc(NC(=O)C(=O)N(C)[C@@H]2CCNC2=O)c1 785294454 WAZHHWWWBPMOEB-CYBMUJFWSA-N 315.329 -0.016 30 20 DBED C#CCNC(=O)COC(=O)[C@@H](NC(=O)C(F)(F)F)C(C)C 786777447 GDCFMRYHMIFTKO-VIFPVBQESA-N 308.256 -0.018 30 20 DBED C#CCC[C@@H](O)CNS(=O)(=O)c1cnn([C@H]2CCOC2)c1 798485819 KSANKLHNJCBDFH-NWDGAFQWSA-N 313.379 -0.103 30 20 DBED C#C[C@H](NS(=O)(=O)N(CCC#N)CCOC)[C@H]1CCCO1 800114044 XQWGHIQMKPPFAJ-QWHCGFSZSA-N 315.395 -0.136 30 20 DBED C#C[C@@H](NC(=O)C(=O)NCC1(N(C)C)CCC1)[C@@H]1CCCO1 807026849 FGLZZVGHGIAKFE-OLZOCXBDSA-N 307.394 -0.116 30 20 DBED C#C[C@H](C)N(C)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 812019858 OKHBVZVLCNSRNX-LBPRGKRZSA-N 316.427 -0.773 30 20 DBED C#CCNC(=O)COC(=O)[C@@H]1C[C@H]2C=C[C@H]1N(C(=O)OC)C2 821102849 VRGOYQMDMRUEKF-IJLUTSLNSA-N 306.318 -0.078 30 20 DBED Cc1c[nH]cc(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[nH]2)c1=O 826319243 UVSHTIXJTLMCPO-UHFFFAOYSA-N 311.265 -0.290 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)NCc1cc(C)ncn1 828195113 AWRYIQGJPIMSGT-UHFFFAOYSA-N 304.350 -0.100 30 20 DBED C=CCN(C(=O)C(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1OC)C(C)C 829929258 LLULDUBMZHPAPJ-MNOVXSKESA-N 318.395 -0.662 30 20 DBED COC(=O)N1C[C@H]2C=C[C@H]1[C@H](C(=O)N[C@H]1CNC[C@H]1C#N)C2 834484434 IUJRSXGTLPDKIV-QWQWKMKNSA-N 304.350 -0.143 30 20 DBED CCONC(=O)CNC(=O)C(=O)Nc1cc(C)cc(C#N)c1 846133097 VOMLBVVOQAMLFV-UHFFFAOYSA-N 304.306 -0.011 30 20 DBED Cc1cc(NC(=O)C(=O)N2C[C@H]3C[C@H]2C(=O)O3)ncc1C#N 847529007 WDSVWOAPEVSARQ-ZJUUUORDSA-N 300.274 -0.274 30 20 DBED CN1C(=O)COc2ccc(C(=O)OCC(=O)NCC#N)cc21 860108530 FZDJPAZJZNQYTN-UHFFFAOYSA-N 303.274 -0.162 30 20 DBED C[C@H]1CN(c2c(C#N)c(=O)n(C)c(=O)n2C)Cc2c[nH]nc21 894894531 MTZKUSIOEFLULF-QMMMGPOBSA-N 300.322 -0.198 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCO[C@@H]2COCC[C@@H]21 907747369 FSCOTLPHFQNUTQ-SDDRHHMPSA-N 303.384 -0.188 30 20 DBED CN(C(=O)Cn1nccn1)[C@H]1CCN(C(=O)C#CC2CC2)C1 937351922 CSVCZMCAXFAHGX-ZDUSSCGKSA-N 301.350 -0.249 30 20 DBED O=C(N[C@H]1CCN(C(=O)C#CC2CC2)C1)C1CS(=O)(=O)C1 938007862 MWUKCDCSYRMDJP-LBPRGKRZSA-N 310.375 -0.839 30 20 DBED C#Cc1cncc(C(=O)N2CC[C@H](NC(=O)Cn3cncn3)C2)c1 938883818 LCBRCXZQTXCBBG-AWEZNQCLSA-N 324.344 -0.315 30 20 DBED Cc1ccc(=O)n(CC(=O)N[C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)n1 941914253 SQDIMKDAZNPABF-CMPLNLGQSA-N 317.349 -0.572 30 20 DBED C#CCN1CC[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)[C@@H](C)C1 942105025 GDHXQCPUFKYTFL-STQMWFEESA-N 318.377 -0.993 30 20 DBED COCC(=O)N1CCO[C@@H](CNC(=O)c2c[nH]c(C#N)c2)C1 944559887 FHPKJJDWKOHXJE-LBPRGKRZSA-N 306.322 -0.510 30 20 DBED C[C@H](C#N)C(=O)N1CCC(NC(=O)[C@@]2(C)CNC(=O)C2)CC1 948106420 NQYAXCLBLYZSEG-MEBBXXQBSA-N 306.366 -0.221 30 20 DBED N#Cc1ccc(C(=O)NC[C@@H]2CCN2C(=O)[C@H]2CCNC2=O)[nH]1 949448371 BOHDBZUEVJCLLR-QWRGUYRKSA-N 315.333 -0.647 30 20 DBED Cn1cnc(C(=O)NC[C@H]2CCN2C(=O)c2cc(C#N)c[nH]2)n1 949743131 HWBSULDFVCODMY-SNVBAGLBSA-N 313.321 -0.341 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)[C@@H]1CCOC1 951949941 PTWSKPLSUNIJMI-ILXRZTDVSA-N 319.405 -0.162 30 20 DBED CC#CCN1C[C@@H](O)[C@H](CNC(=O)c2cc(OC)n(C)n2)C1 958239299 MWCIGVXZKYUGNY-DGCLKSJQSA-N 306.366 -0.526 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)C1=CCOCC1 960280411 ODSAPKXJJGPENR-FPMFFAJLSA-N 319.361 -0.069 30 20 DBED N#CCN1C[C@H]2[C@H](NC(=O)c3ccc(-n4cnnn4)cn3)[C@H]2C1 961353675 BXBHMIRQKLYUHB-PJXYFTJBSA-N 310.321 -0.759 30 20 DBED C=CCn1cc(C(=O)N[C@H]2[C@@H]3CN(Cc4cnon4)C[C@@H]32)nn1 961990978 FLGPAAYJIBMXDB-PJXYFTJBSA-N 315.337 -0.293 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(C[C@@H](NC(=O)C3=CCOCC3)CO2)C1 965677991 XUEHGIBZDTXTMW-WCQYABFASA-N 319.361 -0.021 30 20 DBED C[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)Cn1cnnn1 966399418 LKXHURQKXMLLRI-CMPLNLGQSA-N 302.338 -0.950 30 20 DBED C#CCCN1CCO[C@@]2(CCN(C(=O)[C@H]3CCCNC3=O)C2)C1 972419335 CZXVTQDVPINFQI-YOEHRIQHSA-N 319.405 -0.161 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1[C@@H]2CN(C(=O)C(N)=O)C[C@@H]21 976587082 UXBBJHKAWGYVQN-HGCLJGPKSA-N 307.350 -0.974 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2[C@@H]3CN(C(=O)CC(N)=O)C[C@@H]32)nc1 976909475 MDDJNLKMLUGTEA-HBYGRHMLSA-N 312.329 -0.875 30 20 DBED COc1nn(C)cc1C(=O)N[C@H]1[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]21 976933858 GPESKGWVJRITLM-UXCLJVHYSA-N 317.349 -0.225 30 20 DBED C#Cc1cncc(C(=O)NCC2[C@@H]3CN([C@H]4CCNC4=O)C[C@@H]23)c1 978704705 YJXWAOMFPAVCSU-JYJNAYRXSA-N 324.384 -0.141 30 20 DBED Cc1c(C(=O)NC[C@H]2CCN(C(=O)[C@H](C)C#N)C2)nnn1C 983209186 CZAIZXUUOFUKMU-MWLCHTKSSA-N 304.354 -0.139 30 20 DBED C[C@@H]1[C@@H](NCc2nc(=O)n(C)[nH]2)CCN1C(=O)C#CC1CC1 986284182 ZZCUWEGOXSKLQM-PWSUYJOCSA-N 303.366 -0.399 30 20 DBED N#Cc1cc(C(=O)NC2CN(C(=O)c3csnn3)C2)c[nH]1 990933089 QUMVVKNLXOYDNS-UHFFFAOYSA-N 302.319 -0.008 30 20 DBED COCC(=O)N1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)[C@H](O)C1 991404411 RNPBTJUJJRLJDZ-NWDGAFQWSA-N 306.322 -0.776 30 20 DBED CN1CC[C@@H](C(=O)NC2CN(C(=O)c3c[nH]c(C#N)c3)C2)C1 991714536 YVZRAZRKSLXREF-SNVBAGLBSA-N 301.350 -0.221 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(CNC(=O)[C@H]2COC(=O)N2)C1 1001686597 RJCLIEHUAXLFDP-UTUOFQBUSA-N 323.349 -0.740 30 20 DBED C[C@@H](C#N)C(=O)N1CCNC(=O)CCN(C(=O)[C@@H](C)C#N)CC1 1001778423 WDRKMAOSASJPMY-RYUDHWBXSA-N 319.365 -0.517 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@H]1CN2C(=O)C(C)(C)C(N)=O 1007370873 XMZAYOXKJISPES-GARJFASQSA-N 306.366 -0.141 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)Cn2nccn2)C1 1007502970 JZIQCASBEBPDIJ-HUBLWGQQSA-N 316.365 -0.065 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CCN([C@@H]3CCC(=O)NC3=O)C2)c[nH]1 1010687573 GMQUKZVADJYKPX-ZYHUDNBSSA-N 315.333 -0.504 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C(=O)c2cncc(C(N)=O)c2)CC1 1011169518 GELAAHVRJTXNFZ-JTQLQIEISA-N 315.333 -0.375 30 20 DBED CC(=O)N1CCOC[C@@H]1C(=O)N1CCN(C(=O)[C@H](C)C#N)CC1 1011213757 PAWHDZRUOUULAV-DGCLKSJQSA-N 322.365 -0.936 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C(=O)c2cnc3n2CCOC3)CC1 1011319606 JSHFUEKCKBCPIP-LLVKDONJSA-N 317.349 -0.143 30 20 DBED C#CCN[C@H]1CCN(C(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 1019215856 UCPKDJDTNRNYKN-JTQLQIEISA-N 300.326 -0.869 30 20 DBED C=CCN1CC[C@@H](N[C@H]2C[C@@H](NC(=O)C3=COCCO3)C2)C1=O 1021802527 QBTXVWRUGOOFIV-FRRDWIJNSA-N 321.377 -0.102 30 20 DBED N#CCN[C@H]1C[C@@H](NC(=O)Cn2nnc(-c3ccco3)n2)C1 1022346494 BAVMLHKBLCAJOW-AOOOYVTPSA-N 301.310 -0.307 30 20 DBED C[C@@H]1C[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 1023331527 OFFOTUCPTFPSNX-PIEOMLNGSA-N 302.334 -0.156 30 20 DBED CCn1cc(CC(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2O)cn1 1025745673 DGMTYKJFMRYBFI-RAIGVLPGSA-N 319.365 -0.707 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@H](CN[C@@H]3CCNC3=O)C2)[nH]1 1026788722 MFRDRTJVNUKDSE-ZYHUDNBSSA-N 301.350 -0.173 30 20 DBED C=CCN1CC[C@@H](N2CC[C@@H](CNC(=O)c3nc[nH]n3)C2)C1=O 1028876536 DKOAQKAAGYAYQV-NWDGAFQWSA-N 318.381 -0.357 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)c3cc(C)nn3C)C2)C1=O 1030139026 RUPGTSMGOYQBMK-ZDUSSCGKSA-N 317.393 -0.071 30 20 DBED C#CCN1CCC(C(=O)N(CC)[C@@H]2CCN(CC(N)=O)C2)CC1 1034044424 AXTDZJMODDKSBF-OAHLLOKOSA-N 320.437 -0.260 30 20 DBED C#CCN1CC2(CCN(C(=O)CN3CCCNC3=O)CC2)C1 1035741708 QULRKYYZIDKKSA-UHFFFAOYSA-N 304.394 -0.041 30 20 DBED C#CCN[C@@H]1CCN(C(=O)c2nccnc2C(N)=O)C[C@@H]1C 1036286945 TUQYENIXFIRTDF-WDEREUQCSA-N 301.350 -0.351 30 20 DBED N#Cc1ccc(F)cc1CN1C[C@H]2C[C@H]1[C@@H]2NC(=O)C(N)=O 1037565548 XJIZJXXRIQTKQH-KGYLQXTDSA-N 302.309 -0.128 30 20 DBED C=CCCCC(=O)N1CC[C@@](O)(CNC(=O)c2nc[nH]n2)C1 1040547401 QNLQTTWEBZKTIR-CQSZACIVSA-N 307.354 -0.146 30 20 DBED C=CCCC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2CCN(C)C2=O)C1 1040614047 UYCXUZVZVWSHBC-LRDDRELGSA-N 323.393 -0.490 30 20 DBED C=CCCCC(=O)NC[C@@]1(O)CCN(C(=O)Cn2ncnn2)C1 1040729531 QRDOIUVZYKZGEQ-AWEZNQCLSA-N 322.369 -0.891 30 20 DBED Cc1c[nH]nc1C(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1O 1041004465 LOUJQASBPZSFMU-GHMZBOCLSA-N 313.321 -0.641 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)c2cncs2)C1 1041743620 XKXYXKCTLVDRSY-SNVBAGLBSA-N 323.374 -0.516 30 20 DBED C[C@@H]1CN(c2ncccc2C#N)C[C@H]1NC(=O)c1nnn(C)n1 1042422674 JBDPRRNIFZUNSE-MWLCHTKSSA-N 312.337 -0.269 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)c2c[nH]c(C#N)c2)C1 1042669832 XPXJPNBDVCGPQX-UHFFFAOYSA-N 314.345 -0.151 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)Cc2cncnc2)C1 1042818439 OLWDOCAXBMRFOQ-UHFFFAOYSA-N 304.350 -0.325 30 20 DBED C=CCC(C)(C)C(=O)N1CC(O)(CNC(=O)[C@@H]2CCNC2=O)C1 1044452298 PIYJJFWRZCZQCM-LLVKDONJSA-N 323.393 -0.586 30 20 DBED CC#CCN1CCC(C)(NC(=O)c2cn(CC(N)=O)nn2)CC1 1045645934 MZGHJWOIYXYMRG-UHFFFAOYSA-N 318.381 -0.629 30 20 DBED N#Cc1cncc(N[C@H]2C[C@@H](CNC(=O)[C@H]3COC(=O)N3)C2)n1 1046369530 IOOOMYAMDOFXFX-WCABBAIRSA-N 316.321 -0.237 30 20 DBED NC(=O)CCCCC(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1046613935 UQKZKZHCDVBPHP-UHFFFAOYSA-N 321.377 -0.865 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)CN2CC[C@H](C)C2)C1 1046677032 NSUKBHQILUUELI-ZDUSSCGKSA-N 309.410 -0.016 30 20 DBED Cc1ccc(C(=O)NCC2(O)CN(C(=O)[C@H](C)C#N)C2)c(O)n1 1047164185 XGVQFOVJSQEVEY-SECBINFHSA-N 318.333 -0.442 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CN(CC(=O)N3CCOCC3)C[C@@H]2C1 1048728175 WMWGEDWKAPGULW-MCIONIFRSA-N 320.393 -0.605 30 20 DBED CC[C@H](C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C#CC2CC2)C1)N(C)C 1048821146 HVOHDNQSCYBXSD-ILXRZTDVSA-N 321.421 -0.230 30 20 DBED Cc1cc(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)C#N)C2)on1 1049388759 QJUXRWCVHRXJHJ-LSJOCFKGSA-N 306.322 -0.214 30 20 DBED C=CCCC(=O)N[C@H](C)[C@@H]1CCN(C(=O)Cn2cnnn2)C1 1049968564 NCRBMHDNPXHBCO-VXGBXAGGSA-N 306.370 -0.008 30 20 DBED C=CCOCC(=O)N1CC[C@@H]([C@@H](C)NC(=O)C2(C(N)=O)CC2)C1 1050297219 LWCNYELYMUFGID-VXGBXAGGSA-N 323.393 -0.192 30 20 DBED C#Cc1ccc(C(=O)N2C[C@H](C)[C@H](CNC(=O)C(N)=O)C2)cc1 1053121153 OGKRPKAOHLTOGO-SMDDNHRTSA-N 313.357 -0.023 30 20 DBED C=CCN1CC2(C1)CN(C(=O)[C@H](C)N1C(=O)CCC1=O)CCO2 1053281082 OVVRPGYLUNZFOY-LBPRGKRZSA-N 321.377 -0.377 30 20 DBED C#CCN1CC2(CC[C@@H](CNC(=O)[C@H]3CCCC(=O)N3C)O2)C1 1053693719 IPNNHISIMIIMTN-UONOGXRCSA-N 319.405 -0.020 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)C(=O)N3CCC[C@H]3CC)CO2)C1 1053974821 UENHIRGDBDUQIF-ZIAGYGMSSA-N 319.405 -0.020 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC[C@@](CO)(NC(=O)COC)C1 1055705761 SEKVUEZEKXBHET-SWLSCSKDSA-N 312.366 -0.859 30 20 DBED CNC(=O)CC(=O)N[C@]1(CO)CCCN(C(=O)C#CC2CC2)C1 1055901143 AHOUKEPEFHOTPW-MRXNPFEDSA-N 321.377 -0.994 30 20 DBED C=C(C)C(C)(C)C(=O)N1CCC[C@](CO)(NC(=O)C(N)=O)C1 1056090229 ZHSPMVKSDUWRTE-HNNXBMFYSA-N 311.382 -0.456 30 20 DBED CCCOCC(=O)N(CCO)CCNC(=O)c1ccc(C#N)[nH]1 1057138366 DYVYPPNVSSHROQ-UHFFFAOYSA-N 322.365 -0.136 30 20 DBED Cc1cn(C)nc1C(=O)N(CCO)CCNC(=O)C#CC1CC1 1057545672 KDAPIUWXOCEMMF-UHFFFAOYSA-N 318.377 -0.307 30 20 DBED Cc1c(CC(=O)NCCN(CCO)C(=O)[C@@H](C)C#N)cnn1C 1058656753 KBCPSCJNKNGTDJ-NSHDSACASA-N 321.381 -0.632 30 20 DBED C=C1CC(C)(C(=O)N(CCO)CCNC(=O)[C@H]2C[C@H]2C(N)=O)C1 1058771149 SNGRBOHHUWULAM-NEPJUHHUSA-N 323.393 -0.599 30 20 DBED C#CCCCC(=O)N1CCOC[C@H]1CNC(=O)[C@H](C)NC(C)=O 1061253695 WQMVKTVBFBPKNJ-GXTWGEPZSA-N 323.393 -0.342 30 20 DBED C#CCCCCC(=O)NC[C@@H]1COCCN1C(=O)c1cnn[nH]1 1061520293 XEHALPGPPGIXIJ-GFCCVEGCSA-N 319.365 -0.045 30 20 DBED CS(=O)(=O)CC(=O)N1C[C@@H]2C[C@H]1CN2c1ccncc1C#N 1062448050 OXQHUEUHMFTQDK-RYUDHWBXSA-N 320.374 -0.213 30 20 DBED CN(C(=O)[C@H]1COCCO1)[C@H]1CCN(c2ccnc(C#N)n2)C1 1062887024 SAAHSLOXLLBYIS-NWDGAFQWSA-N 317.349 -0.199 30 20 DBED C#CCOCCC(=O)NCC1(NC(=O)CC(=O)NC)CCC1 1063038475 IDGUHNTVWKZZBL-UHFFFAOYSA-N 309.366 -0.683 30 20 DBED N#Cc1nccnc1N1CCO[C@@H](CNC(=O)c2cn[nH]c2)C1 1063609347 HQEOZIXKAQRIOK-NSHDSACASA-N 313.321 -0.293 30 20 DBED N#Cc1ccc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)Cn2cnnn2)cn1 1064217411 SVDDBTDKCKDIEL-LQJRIPTKSA-N 310.321 -0.667 30 20 DBED C=CCCOCC(=O)NC[C@@H]1CN(C(=O)[C@H](C)OC)CCO1 1064920911 DVUFZRWQZVTDGD-QWHCGFSZSA-N 314.382 -0.042 30 20 DBED C=CCCC(=O)N1CCO[C@@H](CNC(=O)[C@H]2CCNC2=O)C1 1064959135 HGFBAWPCZNNHAH-RYUDHWBXSA-N 309.366 -0.568 30 20 DBED C=CCOCC(=O)N1CCO[C@H](CNC(=O)CSC)C1 1064976522 KPXUNZLMQJAOKI-LLVKDONJSA-N 302.396 -0.104 30 20 DBED C#CCCCC(=O)N[C@H]1CCCN(C(=O)Cn2ncnn2)CC1 1066101179 WBECRFNUQPWUND-ZDUSSCGKSA-N 318.381 -0.026 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CCCN(C(=O)CC(=O)NC)CC1 1066170794 YAEXQPPEUBNJAR-QWHCGFSZSA-N 323.393 -0.342 30 20 DBED C=CCOCC(=O)N1CCC[C@@H](NC(=O)[C@H]2CNC(=O)N2)CC1 1066458949 QQSOMQWGESLBBF-VXGBXAGGSA-N 324.381 -0.632 30 20 DBED N#Cc1nccc(N2CCOC[C@H]2CNC(=O)c2cc[nH]n2)n1 1066464336 PENXEMADIFRSHZ-SNVBAGLBSA-N 313.321 -0.293 30 20 DBED COCC(=O)N1CCC(O)(CN=c2cc[nH]c(C#N)n2)CC1 1067462943 PYICQKQJIOWVAO-UHFFFAOYSA-N 305.338 -0.818 30 20 DBED CCC1(NC(=O)[C@H]2CNC(=O)N2)CCN(C(=O)[C@@H](C)C#N)CC1 1069580626 GZQYIZMPUBNZDR-WDEREUQCSA-N 321.381 -0.285 30 20 DBED CN(C(=O)[C@H]1CCNC1=O)C1CC(Nc2ccc(C#N)nn2)C1 1069787938 KDXNMIYLVUKNSW-MCIGGMRASA-N 314.349 -0.114 30 20 DBED C=CCN1CCn2ncc(CNC(=O)[C@@H]3CCC(=O)N3)c2C1 1069881359 AJSBLYWZBMGHAY-LBPRGKRZSA-N 303.366 -0.221 30 20 DBED C=CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C(N)=O)CC1 1070377055 BVQAUIJFBSVEKQ-YPMHNXCESA-N 308.382 -0.867 30 20 DBED C#CCN1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CCNC2=O)C1 1070419911 LITSZLIVJRQZSU-DGCLKSJQSA-N 315.377 -0.416 30 20 DBED C=CCCC(=O)N1CCC[C@@H](NC(=O)CN2CCNC(=O)C2)C1 1070538735 KHSLALFWYHOUPV-CYBMUJFWSA-N 322.409 -0.508 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CCCN(C(=O)CN2C(=O)CCC2=O)C1 1070716229 AIPKMFLBTOMIIT-GHMZBOCLSA-N 320.349 -0.598 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC[C@@H](NC(=O)c2[nH]nnc2C)C1 1070729642 UNASJSYYVWAVPA-VXGBXAGGSA-N 319.365 -0.128 30 20 DBED Cc1nn[nH]c1C(=O)N1C[C@H](C)O[C@]2(CCN(CC#N)C2)C1 1071196882 JWSCDPKKZHDJFA-HZMBPMFUSA-N 304.354 -0.058 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1C 1071556575 KJJCZEDLRDTQES-GHMZBOCLSA-N 306.370 -0.152 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H](C)[C@@H](NC(=O)C(F)F)C1 1071936121 LQDPPSLJMRFIER-IUCAKERBSA-N 301.293 -0.646 30 20 DBED C#CCOCCC(=O)N[C@H]1CN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C[C@@H]1C 1072550956 HDZKZAZGVICQEX-JHZZJYKESA-N 320.389 -0.118 30 20 DBED CC(C)C#CC(=O)NC1(C)CCN(C(=O)[C@H]2CNC(=O)N2)CC1 1073224925 RMOIZIKWLPKJJZ-GFCCVEGCSA-N 320.393 -0.176 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CN3CC4CC3(CO2)C4)C1 1077418335 NZWXTZNYPKMZGR-VXSWHIBVSA-N 321.421 -0.413 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1077432174 IVQIRBAJXSWPTD-VQJWOFKYSA-N 308.378 -0.778 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3ccnc3)nn2)C1 1077828816 CWEYYIJTABVMLL-CHWSQXEVSA-N 314.349 -0.377 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)C2CCC(NC(C)=O)CC2)C1 1078282410 ZFWHCXDLRMCHGA-QDIHITRGSA-N 321.421 -0.134 30 20 DBED Cn1c(O)nc2ccc(C(=O)N[C@@H]3CN(CC#N)C[C@H]3O)cc21 1078292795 YPSMWCAQYPATTH-DGCLKSJQSA-N 315.333 -0.423 30 20 DBED C[C@@H](CCNC(=O)Cn1cncn1)NC(=O)c1ccc(C#N)[nH]1 1078570406 KGAGAVHSAOQOOW-JTQLQIEISA-N 315.337 -0.197 30 20 DBED CCN(C(=O)CN(C)C(=O)COC)C1CN(C(=O)[C@@H](C)C#N)C1 1079916784 XUPIYRSINCONMY-NSHDSACASA-N 324.381 -0.690 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(N(CC)C(=O)[C@@H](C)CC(N)=O)C1 1080217841 NOGGTDPUOXEZDN-NWDGAFQWSA-N 323.393 -0.405 30 20 DBED C#CCCCC(=O)N1CC(N(CC)C(=O)c2nnn(C)n2)C1 1080271098 JSDQMIQRFHVOOV-UHFFFAOYSA-N 304.354 -0.314 30 20 DBED CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)[C@@H]2COCCN2CC)C1 1080418677 WYFNPOCCAPXXPY-OCCSQVGLSA-N 322.409 -0.074 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CO)(NC(=O)c2cc[nH]n2)CC1 1080735796 LJMQRKRLZGPXAD-SNVBAGLBSA-N 305.338 -0.347 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2ccncc2)C[C@@H]1O 1081343388 BRIGLJOWAUGWBW-KBPBESRZSA-N 319.361 -0.167 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@H](CNC(=O)CCCN(C)C)C1 1081701090 PVQZIOQOCCQQFP-CABCVRRESA-N 323.437 -0.077 30 20 DBED C#CCCN1C[C@@H](NC(=O)c2ccc3nnnn3c2)[C@H](OC)C1 1081941665 VAOUKEXFAXELCT-CHWSQXEVSA-N 314.349 -0.423 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cccc(C(N)=O)n1 1083287136 SSELAYQFCSOSGF-QWHCGFSZSA-N 315.333 -0.771 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCCc3nn[nH]c32)C1 1083734463 GYMTVEHAWZWOBL-RTXFEEFZSA-N 303.366 -0.591 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)[C@H]2CCc3nncn3C2)C1 1084086066 OJJYZKBMQAZOMY-XQQFMLRXSA-N 305.382 -0.422 30 20 DBED CC1(C)C(=O)NC(=O)N1CC(=O)N1C[C@H]2CCN(CC#N)C[C@H]21 1084757238 KPDUGZYKYQJLPE-GHMZBOCLSA-N 319.365 -0.627 30 20 DBED C[C@@H](C[C@H](C)NC(=O)Cn1ncnn1)N=c1cc[nH]cc1C#N 1089401155 SLQDGUPXVUSOPS-QWRGUYRKSA-N 314.353 -0.243 30 20 DBED Cc1nnc2ccc(C(=O)N[C@H]3CCN(CC#N)C[C@@H]3O)cn12 1090377162 HTSCCFGDMPTLQA-STQMWFEESA-N 314.349 -0.274 30 20 DBED CO[C@H](C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1O)C(C)C 1090534618 BPWLFXJGIGVYIW-UPJWGTAASA-N 319.365 -0.315 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(c2cc(F)ncn2)C[C@H]1C 1090702553 CHIUNHVSSOWPGW-GHMZBOCLSA-N 319.340 -0.304 30 20 DBED CC(=O)CCCC(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1091063194 NAROAQCKALYOPM-OLZOCXBDSA-N 317.349 -0.227 30 20 DBED CC[C@@H](C)OCC(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1091093257 UTQROCYLRJRXGA-RTXFEEFZSA-N 319.365 -0.171 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)CCCC(N)=O)C2)nc1 1091114597 YWAZPAZWDWHYIS-NEPJUHHUSA-N 317.349 -0.725 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(c2cnc(F)cn2)C[C@H]1O 1092153943 PBBZIPINTRCMCL-WDEREUQCSA-N 310.329 -0.126 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc2nnnn2n1 1092966716 GCBVJVMCGPNWHO-DBIOUOCHSA-N 312.337 -0.095 30 20 DBED CC(=O)N(C)CC(=O)N[C@H]1[C@@H]2CN(c3cnc(C#N)cn3)C[C@@H]21 1093218578 VZEPXPXHGVXEKR-JYAVWHMHSA-N 314.349 -0.623 30 20 DBED Cc1cc(C#N)nc(NCCNC(=O)[C@H]2CCNC(=O)C2)n1 1093546588 IWAXAPFWDJAIOV-JTQLQIEISA-N 302.338 -0.289 30 20 DBED CO[C@@H]1COCC[C@@H]1CC(=O)NCCN=c1cc[nH]c(C#N)n1 1093934909 IOMTXUVRLALIDK-VXGBXAGGSA-N 319.365 -0.260 30 20 DBED C#CCCN1CC(n2cc(CNC(=O)c3[nH]nnc3C)nn2)C1 1094309481 AKRHPJPGDOTBCU-UHFFFAOYSA-N 314.353 -0.485 30 20 DBED C=CCN1CC(n2cc(CNC(=O)[C@@H]3[C@H]4COC[C@H]43)nn2)C1 1094310974 CBBSIWGUBPSJHV-WDNDVIMCSA-N 303.366 -0.171 30 20 DBED N#Cc1nc(=NCCCNC(=O)C[C@H]2CCC(=O)NC2)cc[nH]1 1094617787 QWRARXRXQVCQAE-LLVKDONJSA-N 316.365 -0.395 30 20 DBED N#CCN1CC(N2C[C@@H](NC(=O)C[C@@H]3CCCCO3)CC2=O)C1 1094720328 LITLZIJPBNLLKT-JSGCOSHPSA-N 320.393 -0.130 30 20 DBED Cc1cc(C(=O)N[C@H]2CC(=O)N(C3CN(CC#N)C3)C2)ncn1 1094726649 VRVOPYXTMQRNSS-NSHDSACASA-N 314.349 -0.677 30 20 DBED CCNC(=O)CC(=O)N1CC[C@@H](N=c2cc[nH]c(C#N)n2)C1 1095036466 GOQSSGXJOFRLIF-SNVBAGLBSA-N 302.338 -0.691 30 20 DBED C[C@H](NC(N)=O)C(=O)N1CC[C@@H](N(C)c2nccnc2C#N)C1 1095114097 ZEZAMPJHBXDTCP-VHSXEESVSA-N 317.353 -0.558 30 20 DBED N#Cc1nccc(N2CCC(NC(=O)C3(C(N)=O)CC3)CC2)n1 1095444353 HBTSBPYVEPAMKT-UHFFFAOYSA-N 314.349 -0.301 30 20 DBED CN1C[C@@H](C(=O)NCCCN(C)c2ccc(C#N)nn2)NC1=O 1095696719 LASXSLNYTNDNDG-NSHDSACASA-N 317.353 -0.686 30 20 DBED CC(=O)N[C@@H](C)C(=O)N[C@H]1CCN(c2nc(C)cc(C#N)n2)C1 1096316905 KDDATTWSJQAGQH-JQWIXIFHSA-N 316.365 -0.124 30 20 DBED Cc1c(C(=O)NC[C@H](C)N=c2cc[nH]c(C#N)n2)nnn1C 1097727745 MTYJEGOJGDSVIA-QMMMGPOBSA-N 300.326 -0.563 30 20 DBED CN1CCC[C@H]1C(=O)N1CC[C@@H](n2cc(CNCC#N)nn2)C1 1098644501 BYJVGNYZRGLUIL-KGLIPLIRSA-N 317.397 -0.241 30 20 DBED CNC(=O)NCC(=O)N1C[C@H]2CC[C@H]1[C@@H]1CN(CC#N)C[C@@H]21 1099488406 IIIDMCXUSBTNTG-XQHKEYJVSA-N 305.382 -0.392 30 20 DBED C=CCCC(=O)N[C@H]1CCN(CCN2CCNC2=O)C[C@@H]1O 1099731016 YLLISZSCLAWDJT-STQMWFEESA-N 310.398 -0.471 30 20 DBED O=C(C#CC1CC1)N[C@H]1CCN(CC(=O)N2CCC2)C[C@H]1O 1099812196 CCTYFVSMBNWMSS-UONOGXRCSA-N 305.378 -0.817 30 20 DBED CN(C(=O)CN1CC[C@H](NC(=O)C#CC2CC2)[C@H](O)C1)C1CC1 1099823667 HGCWMWNWCZBJNR-LSDHHAIUSA-N 319.405 -0.428 30 20 DBED C=CCCN1CC[C@H](NC(=O)CN(C)S(C)(=O)=O)[C@H](O)C1 1099861181 OIGKZVHFDAGZLD-NWDGAFQWSA-N 319.427 -0.995 30 20 DBED C#CCC1(C(=O)N[C@@H]2CCN(CCO)C[C@@H]2O)CCOCC1 1099874669 OSIKXHOWNNXMBB-KGLIPLIRSA-N 310.394 -0.650 30 20 DBED COCC#CCNC1CC(CNC(=O)[C@H](C)n2cncn2)C1 1100258170 AVBSYYXMWXWDKC-HSBZDZAISA-N 305.382 -0.027 30 20 DBED CCC(=O)N[C@H](C)C(=O)NCCN(C)c1ccc(C#N)nn1 1100377046 KHJWAPYEBMCVRL-SNVBAGLBSA-N 304.354 -0.185 30 20 DBED CCN(CCNC(=O)c1cc(=O)n(C)o1)c1ccc(C#N)nn1 1100506114 HWINGAJECVIVND-UHFFFAOYSA-N 316.321 -0.104 30 20 DBED COC(=O)NCC(=O)NC[C@@H]1CCCN1c1cncc(C#N)n1 1100803027 VTOBVNJXTWQFMA-NSHDSACASA-N 318.337 -0.211 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)c2ccnn2C)C1 1101790315 DXCCCWYUUGIRTI-CHWSQXEVSA-N 317.393 -0.533 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1101816288 CBMRTOBFMAUDKM-CHWSQXEVSA-N 308.382 -0.487 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)CCCC(N)=O)C1 1102615397 YSTNGRJJQCWFJC-CHWSQXEVSA-N 322.409 -0.925 30 20 DBED CC[C@H](CNC(=O)[C@@H]1CNC(=O)N1)Nc1ncccc1C#N 1103277492 JQLPKIXLNRPHSQ-MNOVXSKESA-N 302.338 -0.059 30 20 DBED N#Cc1cncc(N2CCC(CCNC(=O)CC(N)=O)CC2)n1 1103679016 YYGRQLNUURHXNI-UHFFFAOYSA-N 316.365 -0.054 30 20 DBED C[C@H](CNC(=O)[C@H]1CN(C)CCO1)CNc1nccnc1C#N 1103890358 VRGBOLHBQFBPFI-WCQYABFASA-N 318.381 -0.157 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(c2ncc(F)cn2)CCO1 1104330100 HIPFABMKTIXESI-CYBMUJFWSA-N 322.340 -0.023 30 20 DBED C[C@@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@H]1CCNCC#N 1104486710 KUKWIDMLDOYKDL-CHWSQXEVSA-N 307.398 -0.984 30 20 DBED C[C@H](CN=c1cc[nH]cc1C#N)N(C)C(=O)[C@@H]1CN(C)C(=O)N1 1104766414 JIQWSBJONROOHJ-MFKMUULPSA-N 316.365 -0.342 30 20 DBED N#CCNCc1cn(C2CN(C(=O)[C@@]34COC[C@@H]3C4)C2)nn1 1105243718 HKNSVGMGDPXHEI-HZMBPMFUSA-N 302.338 -0.689 30 20 DBED Cc1cc(C#N)nc(NC[C@H](O)CNC(=O)c2cnns2)n1 1105723546 RSVXHCJIWRYUKD-SECBINFHSA-N 319.350 -0.289 30 20 DBED N#CCSCC(=O)NC[C@H](O)CNc1nc[nH]c2ncnc1-2 1105755349 RLPVQLVUJGUCQS-QMMMGPOBSA-N 321.366 -0.550 30 20 DBED N#Cc1cnc(NC[C@@H](O)CNC(=O)C[C@H]2CCOC2)cn1 1105760761 YHTQJAJWTQNFCO-ZYHUDNBSSA-N 305.338 -0.336 30 20 DBED N#Cc1cccnc1NC[C@H](O)CNC(=O)[C@@H]1CCNC(=O)C1 1105789908 ANZCWNITPSMXPO-PWSUYJOCSA-N 317.349 -0.632 30 20 DBED CO[C@H](C)CCC(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1 1105794754 LMRZASXICYQXQT-GHMZBOCLSA-N 307.354 -0.526 30 20 DBED N#Cc1nccnc1NC[C@H](O)CNC(=O)C[C@H]1COC(=O)C1 1105819628 HKNCGEPSUIJPQG-NXEZZACHSA-N 319.321 -0.810 30 20 DBED CC(C)(C)C#CC(=O)NC[C@@H](O)CNc1ccc2nnnn2n1 1105826106 YLILRYQGVFYYRK-JTQLQIEISA-N 317.353 -0.542 30 20 DBED COCCCOCC(=O)NC[C@H](O)CNc1nccnc1C#N 1105958424 AYNKGZGYMWSXSC-NSHDSACASA-N 323.353 -0.710 30 20 DBED CN(C)[C@@H](C(=O)NC[C@@H](O)CNc1cncc(C#N)n1)C1CC1 1105995263 QUANZLGHNYQSIO-GXTWGEPZSA-N 318.381 -0.423 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)[C@]2(F)CCOC2)nc1 1106073708 XYVLAZZIUBBRKF-FZMZJTMJSA-N 308.313 -0.029 30 20 DBED C[C@@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)[C@H]1COCCO1 1106233881 OWBDGPMOQLOSTP-WDEREUQCSA-N 305.338 -0.508 30 20 DBED N#CCN1CC(n2cc(CNC(=O)CCn3cccn3)nn2)C1 1107129137 ITRSCOWXTYUPSR-UHFFFAOYSA-N 314.353 -0.439 30 20 DBED CCN1CCOC[C@@H]1C(=O)NC[C@@]1(C)CN(CC#N)CCO1 1108039688 FEUAKQBGZVALJZ-HIFRSBDPSA-N 310.398 -0.562 30 20 DBED C=CCN1CCO[C@@](C)(CNC(=O)c2cn(C)c(=O)nc2O)C1 1108394801 KATXRLYATAFYBD-HNNXBMFYSA-N 322.365 -0.507 30 20 DBED C[C@@H](CNc1ccc(C#N)nc1)NC(=O)C1CS(=O)(=O)C1 1108547317 AYKCYKHBFBICFA-VIFPVBQESA-N 308.363 -0.086 30 20 DBED Cc1nc(N(C)C[C@@H](C)NC(=O)Cn2cnnn2)ccc1C#N 1108850188 MDKGKLWKWSBENT-SNVBAGLBSA-N 314.353 -0.111 30 20 DBED C[C@H](CN(C)c1cnc(C#N)cn1)NC(=O)[C@@H]1CCNC1=O 1109206518 WWWBCALZUBMSJU-MWLCHTKSSA-N 302.338 -0.575 30 20 DBED CNC(=O)NCC(=O)N[C@H](C)CN(C)c1ncc(C#N)cc1F 1109287518 NDUMUXVMYXXGNM-SECBINFHSA-N 322.344 -0.038 30 20 DBED CC[C@@H](OC)C(=O)N(C)[C@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1111179208 XQFBKXMUTMYHOG-SDDRHHMPSA-N 319.365 -0.219 30 20 DBED N#Cc1nc(=NCCN(CCO)C(=O)C2CC=CC2)cc[nH]1 1111442728 GCDVODSKWDNDKA-UHFFFAOYSA-N 301.350 -0.031 30 20 DBED N#Cc1cnc(NCCN(CCO)C(=O)CN2CCCC2)cn1 1111476570 PSDSLFHNKXKQRN-UHFFFAOYSA-N 318.381 -0.323 30 20 DBED CO[C@H](C)C(=O)NC[C@@H]1COCCN1c1ccc(C#N)nn1 1111658005 VASFSBSPHVGINZ-ZYHUDNBSSA-N 305.338 -0.295 30 20 DBED C#CCCNC[C@]12CCC[C@H]1CN(C(=O)Cn1ncnn1)C2 1112355686 NDXJGAZZCMIUIV-ZFWWWQNUSA-N 302.382 -0.085 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)C[C@H]2CC[C@H](C)O2)CC1 1113294935 XIVXPGICKKPGCD-UONOGXRCSA-N 307.394 -0.162 30 20 DBED COCC#CCN1CCN(C(=O)[C@@H](C)[C@@H]2CCC(=O)N2)CC1 1113365280 CVVDDTFIRFYEHH-KBPBESRZSA-N 307.394 -0.305 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CN(C)CCO1)N(C)c1ccnc(C#N)n1 1113534353 YDLODOFHLGCTNC-RYUDHWBXSA-N 318.381 -0.380 30 20 DBED C[C@H](CNC(=O)CCNC(N)=O)N(C)c1ccc(C#N)nn1 1113609160 CZNGDCAQUGHXJK-SECBINFHSA-N 305.342 -0.652 30 20 DBED CCN(CCC#N)C(=O)CN1C[C@@H]2C(NC(=O)COC)[C@H]2C1 1113750523 VVSMWZBYCNJAFV-RYUDHWBXSA-N 308.382 -0.559 30 20 DBED C[C@@H](CNC(=O)C1(C(N)=O)CC1)N(C)c1cnc(C#N)cn1 1113846066 YKYKJWSAPYEBHR-VIFPVBQESA-N 302.338 -0.445 30 20 DBED N#CCNC(=O)CN1C[C@@H]2C(NC(=O)CC3CCOCC3)[C@H]2C1 1114069608 MEXXNNNICXILMW-STQMWFEESA-N 320.393 -0.511 30 20 DBED C#CCOCCC(=O)N[C@H]1[C@@H]2CN(CCn3cccn3)C[C@@H]21 1114263532 WTQNIDJPGVHOJE-FOLVSLTJSA-N 302.378 -0.031 30 20 DBED N#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3ccns3)[C@H]2C1 1114343442 OPQNXLYONJKJRF-GDGBQDQQSA-N 305.363 -0.557 30 20 DBED C=CCCN1C[C@@H]2C(NC(=O)CCCN3C(=O)CNC3=O)[C@H]2C1 1115219259 UNDWLLXRGKKCSY-RYUDHWBXSA-N 320.393 -0.059 30 20 DBED C[C@H](CN(C)C(=O)[C@@H]1COC(=O)N1)Nc1nccnc1C#N 1115703261 VSUPWQQYKBWPRV-SCZZXKLOSA-N 304.310 -0.285 30 20 DBED Cc1onc(CC(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)c1C#N 1116502425 UASFDZBYZSHVRS-SNVBAGLBSA-N 303.278 -0.840 30 20 DBED N#CCOc1cccc(NC(=O)C(=O)N(CCO)CCO)c1 1116700583 RLMZWBBOJFVITD-UHFFFAOYSA-N 307.306 -0.659 30 20 DBED CC(=O)N1CCN(C(=O)C(=O)NCC2(CC#N)CC2)[C@@H](C)C1 1117685708 UGDWPNHCEDJYLG-NSHDSACASA-N 306.366 -0.124 30 20 DBED C#CC1CCN(C(=O)C(=O)N2C[C@H](C)N(CCO)[C@H](C)C2)CC1 1118189938 HDKPUEDYAFPKKI-OKILXGFUSA-N 321.421 -0.228 30 20 DBED Cn1cc(CC(=O)NC[C@H](CO)Nc2nccnc2C#N)cn1 1121192037 UKAQXPHFTSXORD-LLVKDONJSA-N 315.337 -0.787 30 20 DBED Cc1cn(C)nc1C(=O)NC[C@@H](CO)Nc1cnc(C#N)cn1 1121445529 BAYALXCPQOTHIS-NSHDSACASA-N 315.337 -0.407 30 20 DBED C=CCn1c([C@@H](O)COC)nnc1N(C)CCS(C)(=O)=O 1121732614 PPCYKSZIHHXBOT-JTQLQIEISA-N 318.399 -0.375 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H](CO)N=c1cc[nH]cc1C#N 1122037512 XJEBROIZDCEGRZ-DGCLKSJQSA-N 302.334 -0.698 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)CO[C@@H]2CCOC2)nn1 1122068768 GGUSRIPPXPLVRF-VXGBXAGGSA-N 321.337 -0.957 30 20 DBED N#Cc1nc(=N[C@H](CO)CNC(=O)c2ccc(Cl)[nH]2)cc[nH]1 1122464389 AYDSNZFSTQQCHJ-QMMMGPOBSA-N 320.740 -0.046 30 20 DBED CNC(=O)CC(=O)N1CC[C@@H](Nc2cnc(C#N)cn2)[C@H]1C 1122971111 LQHRTCNUQYBZLN-MWLCHTKSSA-N 302.338 -0.114 30 20 DBED N#Cc1nccnc1NC[C@H]1CC[C@@H](NC(=O)CC(N)=O)C1 1123751157 GHRKXTYFOZRCBM-VHSXEESVSA-N 302.338 -0.080 30 20 DBED CN(C[C@H](O)CNc1ccc(C#N)cn1)C(=O)[C@H]1CCC(=O)N1 1124208881 ZBRFWSWKXXLNLK-VXGBXAGGSA-N 317.349 -0.537 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C[C@@H](O)CNc1nccc(OC)n1 1124518778 CXVNBGKKNWAXLP-NEPJUHHUSA-N 322.365 -0.245 30 20 DBED C[C@H](C#N)C(=O)NCCNCc1nc(-c2ccncn2)no1 1124897139 RYDDMZIVJIPIBK-SECBINFHSA-N 301.310 -0.108 30 20 DBED CN(C[C@H](O)CN(C)c1cnc(C#N)cn1)C(=O)c1cnco1 1125231777 VLQWRQJZUZBWLZ-LLVKDONJSA-N 316.321 -0.094 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCNCC(=O)NCC(F)(F)F 1126359760 AWMWUKLPOYNKKN-LLVKDONJSA-N 311.304 -0.302 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1ccnn1[C@@H](C)CC 1128445611 WZMYBQZSWMVISJ-LBPRGKRZSA-N 305.382 -0.077 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@@H]1CC(=O)N(C(C)C)C1 1128640780 YUOCERHINNYSOR-GFCCVEGCSA-N 310.398 -0.749 30 20 DBED COCC#CCNCCNC(=O)c1nn2c(c1C)OCCC2 1128885354 GXXLKNBXXCHBJU-UHFFFAOYSA-N 306.366 -0.057 30 20 DBED C#CCC1(C(=O)NCCNCc2nc(=O)n(C)[nH]2)CCOCC1 1129117332 XYTUYUCPOUZZRY-UHFFFAOYSA-N 321.381 -0.866 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)Cc1cnccc1C 1129787137 ICARSQWEULNEQV-CYBMUJFWSA-N 302.378 -0.224 30 20 DBED C=CCCCC(=O)N1C[C@H](n2ccnn2)[C@H](NCC(N)=O)C1 1129986977 SWFOZIGISLDFSL-NEPJUHHUSA-N 306.370 -0.539 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)[C@H]2CCN(C)C(=O)C2)C1=O 1130364603 RFBBHHHIWGXIEA-QWHCGFSZSA-N 322.409 -0.653 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)c1cn(C)nc1COC 1130449550 UIKNJMANLQPIGA-LLVKDONJSA-N 323.397 -0.423 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)[C@@H]1CO[C@H](C)C1 1130504472 OJHYAVFKLDSTNP-MNOVXSKESA-N 312.370 -0.871 30 20 DBED CC#CCN1C[C@H]2C[C@@H]3CN(C(=O)COCCOC)C[C@@]3(C1)O2 1131209750 HZUWCBOXAADXKN-BFYDXBDKSA-N 322.405 -0.026 30 20 DBED C#CCN1C[C@@H](NC(=O)CCNS(C)(=O)=O)CC[C@H]1C 1132076766 DCFUEWSUDFTNSW-NEPJUHHUSA-N 301.412 -0.472 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1c[nH]nc1[C@H]1CCCO1 1132779595 FSNBZQXDZJBRAY-LLVKDONJSA-N 320.353 -0.780 30 20 DBED Cc1c(C(=O)N[C@@H](C)C[C@@H](C)NCC(=O)NCC#N)nnn1C 1133993096 CTMSIAAIMAVHCZ-ZJUUUORDSA-N 321.385 -0.750 30 20 DBED C=CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)Cn1cnnc1O 1134134112 CHMLUCNODQDMQI-QWRGUYRKSA-N 324.385 -0.841 30 20 DBED COc1cc(C(=O)N[C@H](C)C[C@H](C)NCC(=O)NCC#N)on1 1134135060 RIXAZVVLYSUXMD-VHSXEESVSA-N 323.353 -0.191 30 20 DBED C=CCC(C)(C)C(=O)NCCNCc1cc(=O)n(C)c(=O)n1C 1134428589 TWXAGWTYGWRFJN-UHFFFAOYSA-N 322.409 -0.108 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1ccc2nncn2c1 1135249994 ICKSQKMSRZIZOU-NSHDSACASA-N 314.349 -0.813 30 20 DBED O=C(NCCNCC#Cc1ccccc1)[C@@H]1CCS(=O)(=O)N1 1151301818 WTRJFAJAQGHSMV-AWEZNQCLSA-N 321.402 -0.564 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCCNCC(=O)NC(=O)NCC 1157189551 NMLNBBIVEBLWBB-CQSZACIVSA-N 314.386 -0.745 30 20 DBED C#CCO[C@H](C)C(=O)NCCCNCC(=O)NC(=O)NCC=C 1157870251 ZXUJJMBBDLWZIV-GFCCVEGCSA-N 324.381 -0.868 30 20 DBED N#CCNC(=O)CNCCCNC(=O)[C@H]1CCn2cncc2C1 1161209462 MKDLOVOAYZUDDN-LBPRGKRZSA-N 318.381 -0.819 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)c1cncc(OC)n1 1167703907 PXLLLRPACHHYMF-NSHDSACASA-N 321.381 -0.115 30 20 DBED COCC(=O)N1C[C@H]2CC[C@H]1[C@H](CNCC(=O)NCC#N)C2 1177555497 KCOMGFDUFXGSBO-AVGNSLFASA-N 308.382 -0.511 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H](NCC(=O)NC)[C@@H]2C)nn1 1179674729 XVTUGGYRISRGBH-QWRGUYRKSA-N 306.370 -0.597 30 20 DBED C#CCNC[C@]1(C)CN(C(=O)[C@@H](C)NC(=O)COC)C[C@H]1C 1181565851 RKZSIMJOKMAHHY-XJKCOSOUSA-N 309.410 -0.155 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)CN(C)C(=O)C(C)C)C1 1182964226 JSSIDZGSJOHXLV-CYBMUJFWSA-N 324.425 -0.407 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)C[C@@H]2CCC(=O)N2C)C1 1184792225 FETIDECLSYHOTO-OLZOCXBDSA-N 322.409 -0.510 30 20 DBED N#CCNC[C@H]1CN(C(=O)[C@@H]2COC(=O)N2)CC12CCOCC2 1186368931 YNSPVIWAGYDQIE-RYUDHWBXSA-N 322.365 -0.537 30 20 DBED CCN1CCO[C@H](C(=O)N2CC[C@@H](NCC#CCOC)C2)C1 1187982632 PDGAVRULJFEDIS-CABCVRRESA-N 309.410 -0.453 30 20 DBED COCCCCC(=O)N1CC[C@H](N(C)CC(=O)NCC#N)C1 1189260960 KNKJPQOHKVUXCL-ZDUSSCGKSA-N 310.398 -0.024 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)Cc2cncs2)C1 1190788687 KJGFPXJXFRMCBG-LBPRGKRZSA-N 320.418 -0.032 30 20 DBED N#Cc1ccc(CN2C[C@@H](O)[C@H](NC(=O)CC(N)=O)C2)cc1 1191979377 SYQNLJOVPYKZNH-CHWSQXEVSA-N 302.334 -0.905 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)c2ccnn2C(C)C)C1 1193258565 LLUDNBQHYMNXIM-UKRRQHHQSA-N 320.393 -0.111 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)[C@H]2C[C@@H]2C(=O)OC)CC1 1195174424 NOXIYUSFIJKMIX-STQMWFEESA-N 323.393 -0.368 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)c2conc2C2CC2)C1 1196091414 WVMHBBVWZYRMAM-ZIAGYGMSSA-N 319.361 -0.023 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)CCCCCC)C1 1198313578 RQMCRIRMDOMPAU-ZIAGYGMSSA-N 309.410 -0.133 30 20 DBED C=CCCCN1C[C@@H](O)[C@H](NC(=O)CC[C@@H]2NC(=O)NC2=O)C1 1198506529 CWDPJPFICGPZMZ-QJPTWQEYSA-N 324.381 -0.898 30 20 DBED C=CCn1cccc1C(=O)N1CCCO[C@@H](CNCC(N)=O)C1 1200695811 DNYYEXNCHAUPAG-ZDUSSCGKSA-N 320.393 -0.020 30 20 DBED C#CCNC1CCN(C(=O)CCC(=O)N2CCOCC2)CC1 1203598844 ICBVLPFUTMLBCC-UHFFFAOYSA-N 307.394 -0.161 30 20 DBED N#CCN[C@H]1C[C@H]2CC[C@H]1N(C(=O)C(=O)NCC(F)F)C2 1204512207 VAOQTDRSQWOGGG-KXUCPTDWSA-N 300.309 -0.140 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CNCC(=O)N2CCOCC2)CC1 1204799504 YXDFRXQSUDODCA-CYBMUJFWSA-N 322.409 -0.167 30 20 DBED Cc1c[nH]nc1C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1206944159 WRJQRNPHOQPYPI-GHMZBOCLSA-N 304.354 -0.592 30 20 DBED COCC#CCN1C[C@@H](NC(=O)[C@H]2CCCC(=O)N2)[C@H](C)C1 1207663332 VSWCUKIBLQTWSZ-MGPQQGTHSA-N 307.394 -0.259 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)[C@H]2CCNC(=O)C2)C1 1207789840 OVDVDZQMDXLNJR-STQMWFEESA-N 322.409 -0.605 30 20 DBED C=CCCN1C[C@@H](NC(=O)C[C@H](NC(C)=O)C(N)=O)[C@H](C)C1 1209197587 FOFIRAYOHMWKLO-KGYLQXTDSA-N 310.398 -0.621 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)COCc1ccnc(O)c1 1212465487 JNSZIZABYDXXHY-CHWSQXEVSA-N 320.349 -0.357 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)COCc1ccncc1 1213625263 SUAHHRQLGBGYKE-ZIAGYGMSSA-N 304.350 -0.063 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)c2cnns2)C[C@H]1C 1214219710 UFPLZQNHPVILKA-NXEZZACHSA-N 307.379 -0.662 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2cncn2C)C[C@H]1C 1215073408 PITGSAKQAKMRIL-FRRDWIJNSA-N 317.393 -0.392 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)Cn2cncc2C)C[C@H]1C 1215155775 JDZAUHSCZQZCJV-TZMCWYRMSA-N 319.409 -0.070 30 20 DBED C=C(C)CCC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[nH]2)C[C@@H]1O 1219716018 WPSXDIAPEUMQDP-MNOVXSKESA-N 309.370 -0.874 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(CCC[C@H](C)O)C[C@@H]2O)nc1 1220793385 WHVOCDVHQRLIAF-MAZHCROVSA-N 317.389 -0.001 30 20 DBED C=CCCCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCN(C(C)=O)C2)C1 1220868065 QXPPFIHAWFJHDB-KFWWJZLASA-N 309.410 -0.018 30 20 DBED N#CCSCC(=O)N1C[C@H]2CCN([C@H]3CCNC3=O)C[C@H]21 1221289038 GVXILFVMMQFYNI-GRYCIOLGSA-N 308.407 -0.336 30 20 DBED CN(CC(=O)NCC1CCN(CC#N)CC1)S(C)(=O)=O 1223374942 WIWCCODGQGPBGI-UHFFFAOYSA-N 302.400 -0.770 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)[C@H](C)n2cncn2)CC1 1226905796 HWFHKBVWZNAJLK-LBPRGKRZSA-N 318.381 -0.831 30 20 DBED CC#CCN1CCC(NC(=O)CN(C)S(C)(=O)=O)CC1 1227645701 XMWPSUCTSUZUOB-UHFFFAOYSA-N 301.412 -0.518 30 20 DBED Cc1cc(C(=O)N(C)C[C@H]2CCN2CC(=O)NCC#N)no1 1230704730 DEBHUWZNUQTOOL-LLVKDONJSA-N 305.338 -0.231 30 20 DBED C=CCNC(=O)CN1CC[C@H]1CN(C)C(=O)[C@@H]1COCCN1C 1233706839 PDIIRNQVSVECJT-KBPBESRZSA-N 324.425 -0.848 30 20 DBED C=CCN1CCC(NC(=O)C(=O)N2CC[C@H]([C@H](C)O)C2)CC1 1256780207 SGVYSHIIJSEVGK-STQMWFEESA-N 309.410 -0.018 30 20 DBED Cc1cc(=NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc[nH]1 1262686860 XHNIOOYAQLDIRA-AWEZNQCLSA-N 313.361 -0.051 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C[C@@H](O)COC 1318201734 RUBNFPRTIHHFFU-JONQDZQNSA-N 321.421 -0.624 30 20 DBED C#CCN1CCN(CN2C[C@H](c3cncn3C)CC2=O)CC1 1320307953 FETXGYATTCPOFM-CQSZACIVSA-N 301.394 -0.056 30 20 DBED COC(=O)C1(NC(=O)C(=O)Nc2cc(C)nn2CCC#N)CC1 1323041207 MTZHVTBNNQMHMO-UHFFFAOYSA-N 319.321 -0.135 30 20 DBED C=CC[C@@H](CC)NC(=O)C(=O)N1CC[C@H](S(=O)(=O)NC)C1 1323098642 AFJMOXIPEWNXSI-MNOVXSKESA-N 317.411 -0.393 30 20 DBED C=CC[C@H](CC)NC(=O)C(=O)N1CC[C@@H](S(=O)(=O)NC)C1 1323098648 AFJMOXIPEWNXSI-WDEREUQCSA-N 317.411 -0.393 30 20 DBED C=CCn1cc(CNC(=O)NC[C@H](CO)[C@H]2CCOC2)nn1 1326679242 HWFWBANVIBQACG-NWDGAFQWSA-N 309.370 -0.092 30 20 DBED CN1CC[C@H](NC(=O)C(=O)NCc2cc(C#N)ccc2F)C1=O 1335656421 KMHGJMMAXBKHMA-LBPRGKRZSA-N 318.308 -0.340 30 20 DBED COCCN(C(=O)[C@@H](N)CCCC#N)[C@@H]1CCS(=O)(=O)C1 1345482387 AONAUABSVQBYGK-NEPJUHHUSA-N 317.411 -0.330 30 20 DBED C#CCNC(=O)C1CCN(C(=O)C(=O)N2CC[C@@H]3C[C@@H]3C2)CC1 1346993694 WHKJFNHLBSQVAE-ZIAGYGMSSA-N 317.389 -0.157 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N1CCN(C(=O)N(C)C)CC1 1349086834 LMDWEYCSQOUQSH-NSHDSACASA-N 312.370 -0.871 30 20 DBED CCNC(=O)C(C)(C)CNC(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1349228449 VSHSFHXZXUVQOB-HNNXBMFYSA-N 324.381 -0.858 30 20 DBED COC[C@H]1C[C@@H](O)CN1C(=O)C(=O)NCc1cccc(C#N)c1 1349688533 NOGDZDNRPYYDKZ-ZIAGYGMSSA-N 317.345 -0.217 30 20 DBED N#Cc1cccc(NC(=O)c2cn(C[C@@H]3CNC(=O)O3)nn2)n1 1361893461 VHRJBRBJQVRCMZ-VIFPVBQESA-N 313.277 -0.095 30 20 DBED CC(C)[C@@](C)(O)CNC(=O)CCn1cc(C#N)c(O)nc1=O 1362186259 ZHURGSGWCRFOST-AWEZNQCLSA-N 308.338 -0.266 30 20 DBED CC[C@@H](CN1CCOCC1)Nc1[nH]c(=O)n(C)c(=O)c1C#N 1363747688 DDOOZRRZJOZKCL-JTQLQIEISA-N 307.354 -0.532 30 20 DBED CNS(=O)(=O)N1CCN(C(=O)Nc2ccnc(C#N)c2)CC1 1364407778 AVFRCYLWQVEQOO-UHFFFAOYSA-N 324.366 -0.433 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1C[C@@H](NC[C@@H](O)Cn2cccn2)C1 1365809626 NPDWPMGRUSSFPB-YIYPIFLZSA-N 305.382 -0.112 30 20 DBED CCN(CCC#N)C(=O)CN[C@@H](C)CNC(=O)c1cc[nH]n1 1371110739 WYDPUTRHOHSNGX-NSHDSACASA-N 306.370 -0.120 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](CNC(=O)c1cn(C)c(=O)n1C)C1CC1 1372385858 AIDXWUXEQQTUAL-GXSJLCMTSA-N 319.365 -0.492 30 20 DBED C=C(Cl)CN1CC(O)(CNC(=O)CS(=O)(=O)C(C)C)C1 1393361194 QOMRNHWLYFPJLA-UHFFFAOYSA-N 324.830 -0.275 30 20 DBED CCN(CCC#N)C(=O)CN1CC(NC(=O)[C@H](C)NC(C)=O)C1 1400321304 MOJOBYXBJLYFNL-NSHDSACASA-N 323.397 -0.926 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(C1)CN(C(=O)[C@H](C)NC(N)=O)C2 1405993928 IVHOJCDQHHSNHR-UWVGGRQHSA-N 307.354 -0.736 30 20 DBED CC(C)c1nncn1CCNc1[nH]c(=O)n(C)c(=O)c1C#N 1412873538 YTSXPMRYSRAJPN-UHFFFAOYSA-N 303.326 -0.228 30 20 DBED CCS(=O)(=O)C1CN(Cc2cc(O)n3ncc(C#N)c3n2)C1 1413995190 SGHUZNVGFSXTBX-UHFFFAOYSA-N 321.362 -0.075 30 20 DBED C[C@H](CNC(=O)CCc1cnn[nH]1)NC(=O)c1c[nH]c(C#N)c1 1428822009 ONHYMTLWRVIITF-SECBINFHSA-N 315.337 -0.128 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](CNC(=O)CCS(C)(=O)=O)C1CC1 1430002106 FKWSRGYBNNFIOU-GXSJLCMTSA-N 315.395 -0.408 30 20 DBED COC(=O)[C@@]1(C)CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)C1 1445856715 AVLOYNVQKBGGEF-AWEZNQCLSA-N 320.305 -0.768 30 20 DBED COC[C@@H](OC)C(=O)N1CC[C@H]1CNC(=O)c1cc(C#N)c[nH]1 1458682765 ZJTZQJQHTHFEHZ-WCQYABFASA-N 320.349 -0.122 30 20 DBED CN(C)S(=O)(=O)CCS(=O)(=O)NCC1(CC#N)CC1 1475254458 QHBSYBOOAPLBKK-UHFFFAOYSA-N 309.413 -0.509 30 20 DBED C=C(Cl)CNC[C@@H](O)CN(C)C(=O)CN1CCOCC1=O 1486281361 PDIRXRUDCAGQEB-LLVKDONJSA-N 319.789 -0.993 30 20 DBED C=CCNC(=O)[C@H](C)OC(=O)[C@@]1(OC)CCS(=O)(=O)C1 1514885779 RGVCPHFSBMOSCU-JOYOIKCWSA-N 305.352 -0.576 30 20 DBED COc1coc(C(=O)N2CC(CNC(=O)[C@@H](C)C#N)C2)cc1=O 1530879543 BIUKIXALHBWTTP-VIFPVBQESA-N 319.317 -0.004 30 20 DBED C#CCOCCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CNC(=O)O 1573311871 ZPDKCFVYWBDVFV-QWRGUYRKSA-N 309.322 -0.894 30 20 DBED C#CC[C@H](COC)NC(=O)C(=O)NC1CCC(C(=O)O)CC1 1588393732 JMVRMIHNMSZWGA-HTAVTVPLSA-N 310.350 -0.100 30 20 DBED CC(C)C#CC(=O)N(C)CCOCCNC(=O)[C@H]1C[C@@H]1C(=O)O 1590926965 NAXJUXCAAKMWPL-STQMWFEESA-N 324.377 -0.042 30 20 DBED N#CC1(C(=O)O)CCN(S(=O)(=O)N2CCOCC2)CC1 1601052685 VAKLQTOXFJPCFQ-UHFFFAOYSA-N 303.340 -0.746 30 20 DBED N#CCN1CCC(NC(=O)N2CCC([C@H](O)C(=O)O)CC2)CC1 1601073247 KALUKWZEGZSDNI-ZDUSSCGKSA-N 324.381 -0.159 30 20 DBED C[C@](C#N)(CC(=O)O)C(=O)N1CCC[C@]2(C1)NC(=O)NC2=O 1602778438 ISJONTJHCABPIA-CHWSQXEVSA-N 308.294 -0.808 30 20 DBED COCC[C@@H](COC)Nc1cnc(C#N)c(-c2nn[nH]n2)n1 1605078703 GVSCTIPOZWYWGW-QMMMGPOBSA-N 304.314 -0.008 30 20 DBED O=C(O)CN1CC[C@@H](OC(=O)c2cccc(C#CCO)c2)C1=O 1606247050 CVNQKFPQMCHTPF-CYBMUJFWSA-N 317.297 -0.127 30 20 DBED N#CCCN(CCC#N)C(=O)Cn1cnc(-c2nn[nH]n2)c1C#N 1606349256 HTRWZFRZAMRSQN-UHFFFAOYSA-N 324.308 -0.409 30 20 DBED O=S1(=O)CCC[C@@H](NN=Cc2cccc(-c3nn[nH]n3)n2)C1 1607073282 LBLSZAMXTNMVGR-SNVBAGLBSA-N 321.366 -0.238 30 20 DBED N#Cc1cncc(S(=O)(=O)N2CCC[C@H](O)[C@H]2C(=O)O)c1 1610633381 IDUVNVJVEPNMJP-QWRGUYRKSA-N 311.319 -0.448 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H](CC(=O)O)C2)CCO1 1611291231 LOUIPCZYLJVBCR-QWRGUYRKSA-N 309.322 -0.549 30 20 DBED CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)Cn1cnc(C#N)n1)CC2 1649725647 WIDOJIFMDXOADL-VXGBXAGGSA-N 319.365 -0.072 30 20 DBED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C 1649788101 CCUCKBMZFBHQQZ-GZMMTYOYSA-N 316.362 -0.133 30 20 DBED C#CCCN[C@@H](CNC(=O)CC[C@@H]1NC(=O)NC1=O)C1CC1 1752493326 CRWJHADZCKUENT-RYUDHWBXSA-N 306.366 -0.518 30 20 DBED COCC#CCN[C@H](C)CNC(=O)c1cccnc1C(N)=O 1752920352 BPXPOTCMHYWTKD-LLVKDONJSA-N 304.350 -0.462 30 20 DBED C#CCNC(=O)CNC[C@H]1CCN(C(=O)c2cnn(CC)c2)C1 1752932889 VEFSJBDAWPATDM-CYBMUJFWSA-N 317.393 -0.296 30 20 DBED C#CCNC(=O)CN1CC(NC(=O)CCOC[C@@H]2CCCO2)C1 1753381774 WDUJPEXCSSFKEV-AWEZNQCLSA-N 323.393 -0.878 30 20 DBED C=CCOCC(=O)N1CC[C@@H]2[C@H](CCN2CC(=O)NC(N)=O)C1 1753873853 XZHKLMAIUTWIQH-VXGBXAGGSA-N 324.381 -0.693 30 20 DBED C#CCNC(=O)CNCCN(CC)C(=O)C1CCC(O)CC1 1754042969 XVQWLMKTVXQGHU-UHFFFAOYSA-N 309.410 -0.275 30 20 DBED Cc1cc(OCC(=O)N[C@H](C)CN(C)CC(=O)NCC#N)no1 1754312754 HFVMLYRHKOSCJT-SNVBAGLBSA-N 323.353 -0.562 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCC[C@H]2CN(CC(=O)NC)C[C@H]21 1754872704 HNVWDDHURGLXFW-ZENOOKHLSA-N 309.410 -0.018 30 20 DBED C[C@@H](CC(N)=O)C(=O)N[C@H]1CCCN(CC(=O)NCC#N)CC1 1755026214 KFCYACIUXYZDTH-RYUDHWBXSA-N 323.397 -0.892 30 20 DBED Cc1nccn1CC(=O)N1C[C@H](C)[C@H](NCC(=O)NCC#N)C1 1755122939 VSNLPWMSZIWZQU-WCQYABFASA-N 318.381 -0.732 30 20 DBED C#CCNCC1(O)CCN(C(=O)COCc2nccn2C)CC1 1755150417 BJWFMLJCNUIODM-UHFFFAOYSA-N 320.393 -0.487 30 20 DBED C#CCN[C@@H](C)[C@@H]1CN(C(=O)c2ccn3nnnc3c2)CCO1 1755446146 RRMXVJFIQKHDNG-AAEUAGOBSA-N 314.349 -0.423 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@H](C)N(C(=O)c2cn(C)nc2C)C1 1755675671 YPPPSSQXHHFRJT-AAEUAGOBSA-N 317.393 -0.329 30 20 DBED C#CCNC[C@@H](O)CN(C)C(=O)CCNC(=O)c1ccsc1 1755781260 CMENVHVNUALOGO-CYBMUJFWSA-N 323.418 -0.090 30 20 DBED C#CCN(C)C[C@@H](O)CN(C)C(=O)[C@H]1CCc2cnn(C)c2C1 1755803927 FEJCALQSVJUKSQ-DZGCQCFKSA-N 318.421 -0.091 30 20 DBED C#CCOCCC(=O)NC[C@H](C)N(C)C(=O)[C@@]1(C)CNC(=O)C1 1756026490 HKMZEBHDSUYATL-BLLLJJGKSA-N 323.393 -0.484 30 20 DBED C#CCCCC(=O)NC1(CCO)CN(C(=O)CC(=O)N(C)C)C1 1756079611 HZBFQBIIFSWSNM-UHFFFAOYSA-N 323.393 -0.652 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H]1C[C@H](NC(=O)[C@H]2CCN(C)C2)C1 1756252247 WENQKTRJRBCJOG-AJNGGQMLSA-N 321.421 -0.013 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H](CO)CNC(=O)c1ccccn1 1756501735 YZFDFYOAPSWZMX-VXGBXAGGSA-N 305.334 -0.673 30 20 DBED N#CCSCC(=O)NC[C@H](CO)NC(=O)[C@@H]1CCCOC1 1756504252 ZCQSHUKQZZRAST-GHMZBOCLSA-N 315.395 -0.737 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H](CO)CNC(=O)c1ccc(C#N)[nH]1 1756513232 CRLVMNJVZDDTHZ-CMPLNLGQSA-N 318.333 -0.868 30 20 DBED C=C[C@@H](CC(=O)NC[C@@H](CO)NC(=O)C(N)=O)c1ccccc1 1756526575 TZNQDZDEJYJMND-AAEUAGOBSA-N 319.361 -0.575 30 20 DBED C=CCO[C@H](C)C(=O)N[C@H](CO)CNC(=O)c1cc(F)c[nH]1 1756536873 SAMCSLUVPARZSF-KOLCDFICSA-N 313.329 -0.048 30 20 DBED C[C@@H]1C[C@H](NC(=O)CSCC#N)CN1C(=O)Cn1cncn1 1756601354 MEEXMXYWSLOBQC-MNOVXSKESA-N 322.394 -0.360 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1CN(C(=O)c2nonc2C)C[C@@H]1O 1757198796 ANCDDNVMOSFHRH-ZJUUUORDSA-N 308.338 -0.108 30 20 DBED Cc1ccn(CC(=O)N[C@@H]2CCS(=O)(=O)C2)c(=O)c1C#N 1771650916 BXQJSJBLNIORBZ-SNVBAGLBSA-N 309.347 -0.668 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCO[C@](C)(C(=O)O)C1 1776857438 OJIFLXRRZXISSC-PWSUYJOCSA-N 319.383 -0.112 30 20 DBED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)=O)CCO2 1834723102 BYWRGORWPYCEJA-HNNXBMFYSA-N 310.350 -0.392 30 20 DBED C[C@@H](S)C(=O)N1CC2(CCCN2C(=O)Cn2nccn2)C1 1845266737 NAQSYYCBUGWVRB-SNVBAGLBSA-N 309.395 -0.200 30 20 DBED C#CC(=O)N1CCCC12CN(C(=O)[C@@H](N)Cc1cscn1)C2 1845958938 ORFPNUVYGFNDCQ-LBPRGKRZSA-N 318.402 -0.151 30 20 DBED C=CCNC(=O)[C@@H](C)OC(=O)CN1C(=O)N[C@@](C)(CC)C1=O 24078876 BTKLZYQMAFWMNS-OTYXRUKQSA-N 311.338 -0.059 30 20 DBED C=CCNC(=O)c1ccccc1NCC(=O)N1CCNC(=O)C1 78719659 VWNOSIPQYHUJQM-UHFFFAOYSA-N 316.361 -0.027 30 20 DBED COC(=O)CCN(C)S(=O)(=O)N(CCC#N)CCC#N 88767964 CHZXVFHSMYJUNX-UHFFFAOYSA-N 302.356 -0.145 30 20 DBED COCCNS(=O)(=O)c1c[nH]c(C(=O)NCCCC#N)c1 273097049 JQVDRXPBVWJIJN-UHFFFAOYSA-N 314.367 -0.027 30 20 DBED CCN1CCN(CC#CCN2CCN(CC)C(=O)C2)CC1=O 284002082 GTDMHEGUUNKTBO-UHFFFAOYSA-N 306.410 -0.682 30 20 DBED CN1CCO[C@@H]2CN(/C(O)=N/CCn3cnc(C#N)n3)C[C@@H]21 329219296 AUKVZDCFOYTXJS-WDEREUQCSA-N 305.342 -0.921 30 20 DBED CN(CC(=O)N1CCOCC1)/C(O)=N/C[C@H]1COCCO1 329410541 BNPNRQCUJRABSB-NSHDSACASA-N 301.343 -0.894 30 20 DBED CCC/N=C(/O)NC(=O)CN1CCN(Cc2nc(C)no2)CC1 330394331 DBYBUUGVEJZUGH-UHFFFAOYSA-N 324.385 -0.064 30 20 DBED COC(=O)[C@@H]1CN([C@H](C)C(=O)N/C(O)=N/CC(C)C)CCO1 330511489 BZHVFZNEDBUSPA-MNOVXSKESA-N 315.370 -0.065 30 20 DBED N#CCN1CCN(C(=O)c2ccc(S(N)(=O)=O)cc2)CC1 330692978 YAIYXZPBUHYAJW-UHFFFAOYSA-N 308.363 -0.385 30 20 DBED CC(C)N1CC[C@H](N/C(O)=N/CCNS(C)(=O)=O)C1=O 330791000 SXTWIABHYHHMJC-VIFPVBQESA-N 306.388 -0.952 30 20 DBED CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)N(C)C[C@@H](C)C#N 336916619 NIJAEPLNAYTCOR-WDEREUQCSA-N 323.440 -0.168 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)NCCc2nccs2)CCO1 336924366 TYSNMZYEQPIGEM-SECBINFHSA-N 302.381 -0.256 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N(CCOC)[C@@H](C)C(N)=O 337089352 ILIVVUBTMWIXAK-QWRGUYRKSA-N 320.415 -0.465 30 20 DBED C=CCN1CC[C@@H](N2CCC[C@H](CNS(N)(=O)=O)C2)C1=O 337189654 RGLVNVSHEDHJKF-VXGBXAGGSA-N 316.427 -0.722 30 20 DBED C=CCCOCCNC(=O)NC[C@@](C)(O)CN1CCOCC1 339908403 CZQAYAOKSHBNFY-OAHLLOKOSA-N 315.414 -0.039 30 20 DBED CNC(=O)N[C@H]1CCN(C(=O)CNc2ccc(C#N)cn2)C1 344936897 GYTVPSSRUOTCCA-NSHDSACASA-N 302.338 -0.105 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O 346686300 KISXLIKGNPSTNX-NNYUYHANSA-N 308.382 -0.028 30 20 DBED COCCOCCOCCCNC(=O)N1CCO[C@@H](C#N)C1 347378027 MVJOBMSGMWLRHW-ZDUSSCGKSA-N 315.370 -0.010 30 20 DBED CS(=O)(=O)N1CCN(CC(=O)N2CCC(C#N)CC2)CC1 347550075 IUXXPGMJGDMEHV-UHFFFAOYSA-N 314.411 -0.674 30 20 DBED N#Cc1ccc(NC(=O)C(=O)N2C[C@@H](O)C[C@@H]2CO)cc1F 354471548 SOHOIQIMYMVJJO-MNOVXSKESA-N 307.281 -0.410 30 20 DBED C=C[C@@H](CO)NC(=O)C(=O)N1CCN(c2ccccc2)CC1 360595454 KXTFMVJRJDJNJH-ZDUSSCGKSA-N 303.362 -0.002 30 20 DBED C=CCN1CC[C@H](N2CCC[C@H](S(=O)(=O)NC)C2)C1=O 366843927 HTSSLFJRTCTKCJ-RYUDHWBXSA-N 301.412 -0.213 30 20 DBED CC[C@H]1C(=O)NCCN1S(=O)(=O)N(CC)C[C@H](C)C#N 407959908 XMAXZICLQGFNQQ-MNOVXSKESA-N 302.400 -0.077 30 20 DBED C=CCCn1cc(C(=O)NCCCNS(=O)(=O)CC)nn1 424628535 MUFGMSUMRWUXIQ-UHFFFAOYSA-N 315.399 -0.087 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(CC(C)(C)O)C2CC2)C1=O 428353849 WROHZIJUKPTDLM-UHFFFAOYSA-N 323.349 -0.275 30 20 DBED N#Cc1ccnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)c1Cl 429200052 HAMQFAZULYGCDU-VIFPVBQESA-N 305.725 -0.246 30 20 DBED C#CCN1CCN(C(=O)CN2C(=O)NC3(CCCC3)C2=O)CC1 490778705 JKGBZHYKXWLKRV-UHFFFAOYSA-N 318.377 -0.372 30 20 DBED CC(C)(C)OC(=O)N1CC(C)(C(=O)NCC(=O)NCC#N)C1 496339222 FQTXNJUWRUUXJM-UHFFFAOYSA-N 310.354 -0.001 30 20 DBED CCOC(=O)N1CCC(NC(=N)NCC(=O)NCC#N)CC1 496710443 UFNONIQJLZPPII-UHFFFAOYSA-N 310.358 -0.639 30 20 DBED N#Cc1ccc(S(=O)(=O)N2C[C@@H](CO)[C@H](CO)C2)cc1F 528467825 RJALTTUNQYZKHP-QWRGUYRKSA-N 314.338 -0.081 30 20 DBED C[C@H](CC(=O)O)N(CCO)S(=O)(=O)c1ccc(C#N)o1 554533383 DOIKSSANNJPQAZ-MRVPVSSYSA-N 302.308 -0.003 30 20 DBED C[C@H]1CNCCN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 566249055 SJWOHDSUTYDPBI-NSHDSACASA-N 322.390 -0.343 30 20 DBED N#Cc1ccc(CN2CCC[C@H](CNS(N)(=O)=O)C2)nc1 571222766 XVYLPHPDKRNGQU-GFCCVEGCSA-N 309.395 -0.042 30 20 DBED N#CC[C@]1(O)CCN(S(=O)(=O)c2ccc(C(N)=O)cc2)C1 592074370 VXXLBQINPFVDDX-ZDUSSCGKSA-N 309.347 -0.175 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CC(N2CC[C@@H](O)C2)C1 593651566 KRSDGJZFGUCMSP-GFCCVEGCSA-N 302.400 -0.782 30 20 DBED COCCOCCOCCS(=O)(=O)N1CC(CC#N)C1 594825391 HDBMZKFCZIWGBE-UHFFFAOYSA-N 306.384 -0.159 30 20 DBED CCCN1CC[C@@H](NS(=O)(=O)N2CCO[C@@H](C#N)C2)C1 595353326 FKHHTBHYACMZPG-NEPJUHHUSA-N 302.400 -0.471 30 20 DBED CC[C@@]1(O)CCCN(S(=O)(=O)N2CCO[C@H](C#N)C2)C1 601506289 DZLSGRHVUZMJDA-VXGBXAGGSA-N 303.384 -0.308 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N1CC2(C1)CS(=O)(=O)C2 603373006 YFFQKEDFZMKHQG-SECBINFHSA-N 307.397 -0.804 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N1CCC(S(C)(=O)=O)CC1 610762984 MYDLEDNIORNUPJ-SNVBAGLBSA-N 317.411 -0.104 30 20 DBED C=C[C@@H](O)C(=O)N1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 614903532 SSNKSKZHLJMLLA-CMPLNLGQSA-N 302.396 -0.146 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H](C)C[C@@H](C)N)C1=O 647597075 KJGZEITUQSLWTD-WOPDTQHZSA-N 310.398 -0.526 30 20 DBED N#Cc1cnn(CCOC(=O)[C@@H]2CC(=O)N(C3CC3)C2)c1N 729808073 DPICDFNFEDDPGC-SECBINFHSA-N 303.322 -0.109 30 20 DBED Cn1c(N2CCC3(CC2)C[C@@H]3C(=O)O)c(C#N)c(=O)n(C)c1=O 739014594 QSAOONWUVLEXEI-SNVBAGLBSA-N 318.333 -0.353 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)C[C@H](O)CN1CCOCC1 751430843 LGHZHDVTDPPLGN-GJZGRUSLSA-N 309.410 -0.765 30 20 DBED CC(=O)NCC(=O)NCC(=O)OCc1ccc(F)c(C#N)c1 758935176 HDGLALKUHPLCDZ-UHFFFAOYSA-N 307.281 -0.007 30 20 DBED C=CCN1CC[C@H](N(C)CN2C[C@@H](C(=O)OC)CC2=O)C1=O 799142272 OOKJIFXMSMSXJM-RYUDHWBXSA-N 309.366 -0.316 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)NCCS(=O)(=O)CC1CC1 800083072 PNZGWTBYZIIKLQ-JTQLQIEISA-N 323.440 -0.263 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)CNc1ccccc1C(N)=O 808583398 VRSYCFCULXTJEF-JTQLQIEISA-N 303.318 -0.122 30 20 DBED Cc1cc(=NCCS(=O)(=O)N2CCOCC2)c(C#N)c[nH]1 819912698 WAIAZRJXUPMZLN-UHFFFAOYSA-N 310.379 -0.243 30 20 DBED C#CC[C@H](CO)NC(=O)[C@H](C)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 820059921 PSWDNYDTCCBREQ-ZRFFIENRSA-N 320.345 -0.962 30 20 DBED O=C(N[C@@H]1CCCN(O)C1=O)c1cccc(-n2cnnn2)c1 820482938 USYOQMSSJSUBCP-LLVKDONJSA-N 302.294 -0.228 30 20 DBED N#Cc1cccnc1N1CCN(CC(=O)NCC(=O)O)CC1 821340724 ZPBRQNVRFKWGTF-UHFFFAOYSA-N 303.322 -0.724 30 20 DBED O=C(O)CNC(=O)CON=Cc1ccc(-n2cncn2)cc1 821532741 SHNLMCAFNOVARY-UHFFFAOYSA-N 303.278 -0.181 30 20 DBED CCn1c(=O)c2ccccc2n(CC(=O)NCC#CCO)c1=O 839754972 CALMUQIWYUXVRT-UHFFFAOYSA-N 315.329 -0.705 30 20 DBED C=CCS(=O)(=O)CCNC(=O)NC[C@@H]1CC(=O)N(CC)C1 845107716 PKBUKHJYIZVDST-NSHDSACASA-N 317.411 -0.245 30 20 DBED N#C[C@H]1CN(C(=O)[C@@H]2CCc3nnnn3CC2)CCN1C1CC1 845491090 DFUTWEAQLQSURP-YPMHNXCESA-N 315.381 -0.176 30 20 DBED C[C@@H](C#N)CN(C)C(=O)C(=O)N1CC[C@H](N2CCOC2=O)C1 850692747 ROEUPZMFHAJPAS-QWRGUYRKSA-N 308.338 -0.342 30 20 DBED C[C@@H](NS(=O)(=O)c1cncc(C#N)c1)[C@H]1CN(C)CCN1C 919980929 GYBQMENQDNRUEJ-BXUZGUMPSA-N 323.422 -0.134 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N1CCOC[C@@H]1COC 921901991 UOEPDUXCZBVICR-NSHDSACASA-N 306.384 -0.356 30 20 DBED C#CC1(O)CN(C[C@@H](O)Cn2c(-c3ccccc3)noc2=O)C1 934442970 BBZBTFVQBRQJPC-CYBMUJFWSA-N 315.329 -0.456 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](NC(=O)c2nccnc2C(N)=O)C1 937929325 BFWQQGQQGJFSSA-BDAKNGLRSA-N 316.321 -0.934 30 20 DBED CC(=O)N1CC[C@H](C(=O)N[C@H]2CCN(C(=O)C#CC3CC3)C2)C1 938436153 VTPLEXFIHFIUGH-GJZGRUSLSA-N 317.389 -0.015 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cc2nc[nH]n2)C1 938864335 PDKQOLQBKMXSGH-TUAOUCFPSA-N 319.365 -0.345 30 20 DBED C=CCn1cccc1C(=O)N[C@@H]1CCN(C(=O)CC(N)=O)C1 941084563 CRWYFCCWBUYRFE-LLVKDONJSA-N 304.350 -0.120 30 20 DBED C[C@H](C#N)C(=O)N1CCCN(C(=O)C2CC(=O)NC(=O)C2)CC1 941612714 KBBGCWPJUFYVGC-SNVBAGLBSA-N 320.349 -0.740 30 20 DBED Cc1c[nH]c(C(=O)NC[C@@H]2CN(C(=O)[C@@H](C)C#N)CCO2)n1 944611623 SMZMBBFZDRKUPU-GXSJLCMTSA-N 305.338 -0.165 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2CCN2C(=O)[C@H]2CCOC2)nn1 950052864 NMLCWFYMRHYVIY-NWDGAFQWSA-N 319.365 -0.169 30 20 DBED Cc1nn[nH]c1C(=O)NC[C@@H]1CCN1C(=O)c1ccc(C#N)[nH]1 951442446 ULZICYPJCUOEJQ-JTQLQIEISA-N 313.321 -0.043 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]1CNC(=O)c1cc(C(N)=O)co1 952132698 UQKAQIRQLPOMBE-WCBMZHEXSA-N 304.306 -0.131 30 20 DBED C=CC(C)(C)C(=O)N1CC(N(C)C(=O)CN2CCOCC2=O)C1 954551067 UFQUMSKVOZNUHQ-UHFFFAOYSA-N 323.393 -0.273 30 20 DBED COCC(=O)N1CCN([C@H]2CCN(C(=O)[C@H](C)C#N)C2)CC1 956575855 MQJKOCRRSLCGBA-OLZOCXBDSA-N 308.382 -0.462 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](CNC(=O)c2cn(CCOC)nn2)C1 958064442 SYMSWMYPDPIALR-OCCSQVGLSA-N 323.397 -0.477 30 20 DBED C#CCCN1C[C@@H](O)[C@H](CNC(=O)C2CCN(CC#C)CC2)C1 958723908 KJECISJKJPXNJG-IAGOWNOFSA-N 317.433 -0.236 30 20 DBED CC#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cccc(C(N)=O)n2)C1 958736892 VLRHYLIOYOTKJC-SMDDNHRTSA-N 316.361 -0.774 30 20 DBED C=CCN1C[C@H]2[C@H](NC(=O)[C@H]3CC(=O)N(c4cn[nH]c4)C3)[C@H]2C1 959877912 UTIFNFZQHZKWAC-MUYACECFSA-N 315.377 -0.005 30 20 DBED COCCn1nc(C(=O)NC2[C@@H]3CN(CC#N)C[C@@H]23)ccc1=O 960933599 VAAYBSHCMHFASN-GHMZBOCLSA-N 317.349 -0.927 30 20 DBED O=C1NC[C@H](C(=O)N[C@H]2[C@@H]3CN(CC#Cc4ccccc4)C[C@@H]32)N1 961627307 JSVDAEFBHFTSDD-QXSJWSMHSA-N 324.384 -0.234 30 20 DBED N#Cc1ccc(F)c(CN2C[C@H]3[C@H](NC(=O)C(N)=O)[C@H]3C2)c1 961640948 QRQRQFBRJQTKOY-PJXYFTJBSA-N 302.309 -0.271 30 20 DBED C=CCCN1C[C@@H]2C(NC(=O)c3cc(=O)n4[nH]cnc4n3)[C@H]2C1 962291251 WSCQTBZZMDBYDH-UWVGGRQHSA-N 314.349 -0.346 30 20 DBED N#CCN1C[C@@H]2C(NC(=O)c3cccc(-n4cnnn4)c3)[C@H]2C1 962513279 ZZIMFWVRYFBPBV-STQMWFEESA-N 309.333 -0.154 30 20 DBED C#CCN1C[C@H]2[C@H](NC(=O)c3ccc(=O)n(CCC)n3)[C@H]2C1 962527034 NHRGFCNTSICGLG-JYAVWHMHSA-N 300.362 -0.054 30 20 DBED Cn1nnc(C(=O)N[C@@H]2CCCN(C(=O)C#CC3CC3)CC2)n1 965107421 VSVUEOYOGCKGJD-GFCCVEGCSA-N 316.365 -0.266 30 20 DBED C[C@H](C#N)C(=O)N1CCOC2(CN(C(=O)Cc3cc[nH]n3)C2)C1 965470539 HVAIZYABQGMEGE-LLVKDONJSA-N 317.349 -0.448 30 20 DBED C=C(C)C(C)(C)C(=O)N1CC2(C[C@H](NC(=O)C(N)=O)CO2)C1 965792196 UMLWWCBKBSUDBH-JTQLQIEISA-N 309.366 -0.440 30 20 DBED CN1C(=O)CC[C@@H]1C(=O)N1CC[C@]2(CN(CC#N)CCO2)C1 972513767 KDZCVBRZMUQAKN-DOMZBBRYSA-N 306.366 -0.566 30 20 DBED N#CCN1CCO[C@@]2(CCN(C(=O)c3c[nH]c(C(N)=O)c3)C2)C1 972677067 OZQCLTLGGAVWCF-HNNXBMFYSA-N 317.349 -0.446 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)Cc3nc[nH]n3)C[C@H]21 974971245 UIRLAOOMMYHPMP-HBNTYKKESA-N 302.338 -0.434 30 20 DBED CC#CCN1C[C@H]2[C@H](CNC(=O)[C@@H]3CCCS3(=O)=O)[C@H]2C1 979070010 GRXCGWDLRQBLQK-FQUUOJAGSA-N 310.419 -0.119 30 20 DBED C#CCCN1C[C@H]2[C@H](CNC(=O)c3cn(C)c(=O)n3C)[C@H]2C1 979106532 VQMNSHASIAPBRM-XYYAHUGASA-N 302.378 -0.345 30 20 DBED C#Cc1ccc(C(=O)N2CC(NC(=O)[C@@H](C)n3cncn3)C2)nc1 990916194 VRCAFJAYCWSCMO-LLVKDONJSA-N 324.344 -0.144 30 20 DBED N#Cc1cc(C(=O)NC2CN(C(=O)C3(C(N)=O)CC3)C2)c[nH]1 990934510 DDKLQANVYKAPCH-UHFFFAOYSA-N 301.306 -0.908 30 20 DBED C=C(C)CN1CCC[C@H](NC(=O)CN2CCNC(=O)C2)[C@@H]1C 993700048 LAHWRFHHNOZVOQ-KBPBESRZSA-N 308.426 -0.037 30 20 DBED C#Cc1cncc(C(=O)N2C[C@H](NCC(N)=O)C(C)(C)C2)c1 996271391 FAFJJHOKCAYQDX-ZDUSSCGKSA-N 300.362 -0.012 30 20 DBED C[C@H](C#N)C(=O)N1CC(NC(=O)c2cn(CC3CC3)nn2)C1 998771925 UOKPXSMFXBUJNN-SECBINFHSA-N 302.338 -0.212 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2COC(=O)N2)C1 1000008432 BRQVZNJCQPSUNW-VWYCJHECSA-N 309.322 -0.987 30 20 DBED N#Cc1cc(C(=O)NCC2CN(C(=O)C3=COCCO3)C2)c[nH]1 1001493636 KUQBWNVZMXGSIZ-UHFFFAOYSA-N 316.317 -0.037 30 20 DBED CN(C(=O)CN1C(=O)NC(C)(C)C1=O)C1CCN(CC#N)CC1 1006370900 UBVKACWFOWQUFP-UHFFFAOYSA-N 321.381 -0.237 30 20 DBED N#Cc1ccc(C(=O)N2C[C@H]3C(NC(=O)c4cnon4)[C@@H]3C2)[nH]1 1013637688 FKBGQRDWMXZRMM-RKDXNWHRSA-N 312.289 -0.230 30 20 DBED C=CCn1cc(C(=O)N2CCC[C@H](NC(=O)C(N)=O)[C@@H]2C)nn1 1015194417 ONPSKLWSWOXNQZ-UWVGGRQHSA-N 320.353 -0.941 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCN(C(=O)[C@H]3COCCO3)C2)C1 1019361978 WYDOQUWIUMTEKE-VXGBXAGGSA-N 307.350 -0.378 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@@H]2OCCN(C(=O)CC(N)=O)[C@@H]2C1 1019908465 QJNHXXNZJAIPBZ-NEPJUHHUSA-N 323.393 -0.098 30 20 DBED Cc1nc(C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2O)co1 1023488770 WHWIXFPTWOWQIJ-DGCLKSJQSA-N 303.318 -0.302 30 20 DBED CCc1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2O)nn1C 1024435851 KFZWHESEILRFKK-ZWKOPEQDSA-N 319.365 -0.556 30 20 DBED COc1ccnc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2O)c1 1024988368 QFTJQHMRDRYUDT-OASPWFOLSA-N 318.333 -0.449 30 20 DBED C=C(C)CN[C@@H]1CC[C@H]2CN(C(=O)CN3CC(=O)NC3=O)C[C@@H]21 1026376545 CGUDGNIZUOXTTA-RWMBFGLXSA-N 320.393 -0.059 30 20 DBED C#CCN[C@@H]1CC[C@@H]2CN(C(=O)CN3CC(=O)N(C)C3=O)C[C@@H]21 1026396461 DTHLJHOEXFXQLC-FRRDWIJNSA-N 318.377 -0.660 30 20 DBED N#CCN1CCC[C@H]1CNC(=O)C1CC2(C1)CS(=O)(=O)C2 1027967013 ZTVKZPPMSPRXHJ-LBPRGKRZSA-N 311.407 -0.085 30 20 DBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CN(Cc2nnn(C)n2)C1 1031077092 FTSBMPWTSJTPBL-JSGCOSHPSA-N 320.397 -0.118 30 20 DBED C=CCCn1cc(C(=O)NC2CN([C@H](C)C(=O)NC)C2)nn1 1031080110 WAZYKRKFAUJLSC-SNVBAGLBSA-N 306.370 -0.597 30 20 DBED C#CCN1CCC(C(=O)NC2CN([C@@H](C)C(=O)NC)C2)CC1 1031434915 JVENLTFWFVQXPP-LBPRGKRZSA-N 306.410 -0.734 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2Cc1nnc2n1CCOC2 1032319309 NPAXIVVXNGGEHO-WOPDTQHZSA-N 316.365 -0.247 30 20 DBED CNC(=O)[C@@H](C)N1CCO[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 1035325254 CTSORPXLPAWHKR-PWSUYJOCSA-N 319.365 -0.549 30 20 DBED C=CCN1CCO[C@H](CNC(=O)c2cccnc2C(N)=O)C1 1035611028 PXUZISPZZBKCQP-LLVKDONJSA-N 304.350 -0.203 30 20 DBED C=CCN[C@@H]1CCN(C(=O)CN2CCN(C)C(=O)C2)C[C@@H]1C 1036083595 YYUYCOQRSZSCFQ-UONOGXRCSA-N 308.426 -0.227 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H](NCC(N)=O)[C@@H](CC)C2)nn1 1037933440 YTLYREFMVLIJBE-RYUDHWBXSA-N 320.397 -0.220 30 20 DBED N#Cc1cc(C(=O)NC[C@H]2CCN2[C@@H]2CCCNC2=O)c[nH]1 1038173669 CCRGROSKWLXHLU-CHWSQXEVSA-N 301.350 -0.031 30 20 DBED C=CCOCC(=O)N1CC[C@@](O)(CNC(=O)c2ncc[nH]2)C1 1039660194 QZBHXTYLCCNHQL-CQSZACIVSA-N 308.338 -0.695 30 20 DBED C=CC(C)(C)C(=O)NC[C@@]1(O)CCN(C(=O)CC(=O)NC)C1 1040488564 OPRZEVQZWRUJKA-HNNXBMFYSA-N 311.382 -0.586 30 20 DBED N#Cc1nccnc1N1C[C@@H](O)[C@H](NC(=O)[C@]2(F)CCOC2)C1 1041304429 MFOOVKIASZYOQW-GYSYKLTISA-N 321.312 -0.857 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)[C@@H](C)n2cncn2)C1 1041956823 WUXASIQXXREYRJ-LLVKDONJSA-N 307.354 -0.505 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCC(=O)N(C)C2)C1 1041969942 SJLXTMDBFWFZOA-GFCCVEGCSA-N 323.393 -0.490 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)[C@@H]2CC2(C)C)C1 1043040489 SSPKZOQOQVWNAW-NEPJUHHUSA-N 308.378 -0.240 30 20 DBED N#Cc1cc(C(=O)N2CC(O)(CNC(=O)c3cc[nH]c3)C2)c[nH]1 1043386564 ZJZNUYNFROIYRQ-UHFFFAOYSA-N 313.317 -0.169 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)c3cnon3)C2)nc1 1044122177 AOULWPWXELNWOT-MNOVXSKESA-N 300.278 -0.684 30 20 DBED Cn1cncc1C(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1044288960 KTWKYZGLPIQFBP-PWSUYJOCSA-N 313.321 -0.939 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)[C@@H]2CCO[C@@H]2C)C1 1045293984 UGKUYGZJFBJINZ-CHWSQXEVSA-N 308.378 -0.240 30 20 DBED CN1C(=O)CN(CC(=O)N2CC[C@H]3CC[C@@H](C2)N3CC#N)C1=O 1045877380 CWWFQOQFKHVSEW-NEPJUHHUSA-N 319.365 -0.531 30 20 DBED C=CCCN1CC[C@](C)(NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 1046844816 SFJFYPMOFQRQHD-AAEUAGOBSA-N 301.412 -0.165 30 20 DBED C=CCOCC(=O)N1C[C@H]2C[C@H](NC(=O)CNC(N)=O)C[C@H]1C2 1047304379 YGIDKDJNIWKZOQ-SDDRHHMPSA-N 324.381 -0.647 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C)c(C(N)=O)cn2)C1 1047536456 YRRXUQHDKPMFPQ-KBPBESRZSA-N 318.377 -0.208 30 20 DBED CN(C)CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C#CC2CC2)C1 1048824922 PEWADZOWPAQPHK-GJZGRUSLSA-N 321.421 -0.228 30 20 DBED CCN(CC)CC(=O)N(C)[C@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1O 1048880708 MMWSPSCSHDGHDR-AGIUHOORSA-N 310.398 -0.482 30 20 DBED C=CCN1C[C@H]2CN(C(=O)CN3CC(=O)N(C)C3=O)C[C@H]2C1 1049169486 PUTRLQLTFDAXHQ-TXEJJXNPSA-N 306.366 -0.543 30 20 DBED CC#CCN1C[C@H]2CN(C(=O)CC[C@H]3NC(=O)NC3=O)C[C@H]2C1 1049206965 NRRNUPKXCSTRNK-FRRDWIJNSA-N 318.377 -0.612 30 20 DBED C=C[C@](C)(O)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cnon2)C1 1049289307 XCZJULHFQJLCIY-MJVIPROJSA-N 324.337 -0.960 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)C2(CN(C)C)CC2)C[C@@H]1O 1049395817 ZQYZFOJAWNSEHT-AVGNSLFASA-N 322.409 -0.482 30 20 DBED C[C@@H]1[C@@H](NC(=O)[C@@H]2COC(=O)N2)CCN1c1ccc(C#N)nn1 1050215322 OWLOPHTWAJIQQR-MIMYLULJSA-N 316.321 -0.460 30 20 DBED C[C@@H]1CN(C)C[C@H](C(=O)N2CCOC3(CN(CC#N)C3)C2)O1 1053304166 FAEYXEUCGBKULN-CHWSQXEVSA-N 308.382 -0.858 30 20 DBED C=C(C)CN1CC2(C1)CN(C(=O)c1ccc(=O)n(C)n1)CCO2 1053525973 QWCREBFMRWSGQH-UHFFFAOYSA-N 318.377 -0.117 30 20 DBED C=C(C)CN1CC2(C1)CN(C(=O)CN1C(=O)CNC1=O)CCO2 1053527099 IRVAKTNMDGJNEP-UHFFFAOYSA-N 322.365 -0.973 30 20 DBED N#CCN1CC2(C1)CN(C(=O)c1cc(C(N)=O)cs1)CCO2 1053544041 TYWBNSHCNRDYRT-UHFFFAOYSA-N 320.374 -0.103 30 20 DBED C#CCN1CC2(CC[C@@H](CNC(=O)[C@@H]3COCCN3C)O2)C1 1053592730 QNZXPOAAXMOGSZ-KBPBESRZSA-N 307.394 -0.700 30 20 DBED C#CCN1CC2(CC[C@@H](CNC(=O)[C@H]3CCC(=O)NC3)O2)C1 1053620268 JBHCDDRUABIQER-STQMWFEESA-N 305.378 -0.505 30 20 DBED N#CCN1CC2(CC[C@H](CNC(=O)[C@@H]3CCNC(=O)CC3)O2)C1 1053637808 DTAXYNLCDDLAIL-QWHCGFSZSA-N 320.393 -0.224 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)c3ccnc4[nH]nnc34)CO2)C1 1053867443 KXXNZAWMHRXVEP-VIFPVBQESA-N 313.321 -0.550 30 20 DBED C[C@@H]1CN(C(=O)CCc2nnc(O)nc2O)C[C@H]1NCC#N 1054848406 XCSIATVGTDZTPC-PSASIEDQSA-N 306.326 -0.825 30 20 DBED Cc1ncc(C(=O)N[C@@]2(CO)CCCN(C(=O)[C@H](C)C#N)C2)[nH]1 1055835122 HCTOKAQRSWCTKX-BMIGLBTASA-N 319.365 -0.039 30 20 DBED O=C(C#CC1CC1)N[C@@]1(CO)CCCN(C(=O)c2cn[nH]c2)C1 1055937127 PBMBQHREHMPPHM-INIZCTEOSA-N 316.361 -0.094 30 20 DBED Cc1nn[nH]c1C(=O)N[C@]1(CO)CCCN(C(=O)[C@@H](C)C#N)C1 1056034508 XMINJSYBIPVTLE-LKFCYVNXSA-N 320.353 -0.644 30 20 DBED C#CCO[C@H](C)C(=O)NCCN(CCO)C(=O)CCSC 1056910811 GNDXTDUIKLCOMX-GFCCVEGCSA-N 316.423 -0.285 30 20 DBED CN(c1cnc(C#N)cn1)[C@@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 1056997439 BOWDYSOIOYEAFC-NEPJUHHUSA-N 314.349 -0.479 30 20 DBED CN(c1ccnc(C#N)n1)[C@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 1056998088 OVUMBRCWPVBLHY-WDEREUQCSA-N 314.349 -0.479 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)C[C@H](C)COC 1057194847 QOBCMJZCMOFJBR-ZDUSSCGKSA-N 316.398 -0.201 30 20 DBED CCOCCC(=O)NCCN(CCO)C(=O)c1ccc(C#N)[nH]1 1057367114 PFSVXOVSVAKWRJ-UHFFFAOYSA-N 322.365 -0.136 30 20 DBED N#Cc1nccc(N2CCC[C@@H](NC(=O)Cn3ncnn3)C2)n1 1058197091 OABTXNPNXZMGRG-SNVBAGLBSA-N 313.325 -0.880 30 20 DBED CN1CCOC[C@H]1C(=O)N[C@H]1CCN(c2ccc(C#N)nn2)C1 1058318996 KIODIUGTMXVNOC-STQMWFEESA-N 316.365 -0.626 30 20 DBED CN1CC[C@H](C(=O)N[C@H]2CCN(c3cncc(C#N)n3)C2)C1=O 1058515212 WVCVSXLQUBRWKQ-CMPLNLGQSA-N 314.349 -0.479 30 20 DBED N#Cc1nccnc1N1CC[C@H](NC(=O)[C@H]2CCC(=O)NC2)C1 1058593951 DTTSHDRWQLNFAB-QWRGUYRKSA-N 314.349 -0.431 30 20 DBED N#Cc1cncc(N[C@H]2CCN(C(=O)[C@H]3COCCO3)C2)n1 1058846136 IVKXHLHLWPEDJG-CMPLNLGQSA-N 303.322 -0.224 30 20 DBED N#Cc1nc(=N[C@@H]2CC[C@H]3CN(C(=O)c4nc[nH]n4)C[C@H]32)cc[nH]1 1060534504 AVBNSXUBLYZWNW-HBNTYKKESA-N 324.348 -0.149 30 20 DBED O=C(Cc1cnoc1)NC[C@@H]1COCCN1C(=O)C#CC1CC1 1061801010 OTFRLMRCOLDLAK-CQSZACIVSA-N 317.345 -0.026 30 20 DBED Cc1n[nH]cc1C(=O)N1CCOC[C@@H]1CNC(=O)[C@@H](C)C#N 1061850940 CLQSVFSHEDKSMB-ONGXEEELSA-N 305.338 -0.165 30 20 DBED N#Cc1nccc(N2C[C@@H]3C[C@H]2CN3C(=O)CCn2ccnn2)n1 1062480244 KMKLIOHKOIQYSA-RYUDHWBXSA-N 324.348 -0.180 30 20 DBED N#Cc1nccnc1N1CCO[C@H](CNC(=O)[C@H]2CCOC2)C1 1063618667 IEHFTJIQCVAIAV-NWDGAFQWSA-N 317.349 -0.294 30 20 DBED Cc1cc(C(=O)N2CCO[C@@H](CNC(=O)[C@@H](C)C#N)C2)nn1C 1064919537 LALLRKCHKORCGT-JQWIXIFHSA-N 319.365 -0.155 30 20 DBED CCNC(=O)CC(=O)NC[C@H]1CN(C(=O)C#CC2CC2)CCO1 1065134981 PLFSXXLZLFEILR-ZDUSSCGKSA-N 321.377 -0.730 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CN(C(=O)Cn2ccnc2)CCO1 1065305226 KSIHDCZRNMNAOF-NWDGAFQWSA-N 305.338 -0.614 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H]1CN(C(=O)[C@H]2C[C@@H]2C)CCO1 1065462052 VZECCRKOXVYIJA-XQQFMLRXSA-N 321.377 -0.875 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@H](NC(=O)COC)CC1 1065749949 PDWCXBMWMRJUQD-LBPRGKRZSA-N 309.366 -0.730 30 20 DBED N#Cc1cnc(NC[C@H]2CN(C(=O)c3cnon3)CCO2)cn1 1066640380 UHPBRJXVVBBQSE-JTQLQIEISA-N 315.293 -0.316 30 20 DBED COCC(=O)N1CCC(O)(CNc2nccnc2C#N)CC1 1067462888 OEEBSZANPLNTNW-UHFFFAOYSA-N 305.338 -0.240 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1COC2(C1)CN(C(=O)c1nc[nH]n1)C2 1069002671 HBUXQUIRXXRDFB-BDAKNGLRSA-N 304.310 -0.936 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2ccc(C)nn2)C1 1069924860 IZUNRCFWEADHHL-KGLIPLIRSA-N 311.349 -0.335 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@@H]2COC(=O)N2)C[C@H]1c1cn(C)cn1 1070489276 SMGFPDUMBUDKTL-UHTWSYAYSA-N 317.349 -0.954 30 20 DBED N#CCN1CCNC(=O)CCN(C(=O)c2c[nH]c(C#N)c2)CC1 1070954906 ARXNUVMWHWTYRR-UHFFFAOYSA-N 314.349 -0.326 30 20 DBED C#CCN1CC[C@]2(C1)CN(C(=O)c1nnn(C)n1)C[C@@H](C)O2 1071197700 WUHHEOLIPHWFTE-RISCZKNCSA-N 304.354 -0.851 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H](NC(=O)CCn2cnnn2)C1 1071229105 HRQQOWDUUDDVJK-GHMZBOCLSA-N 305.342 -0.670 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](NC(=O)CCOCC)[C@H](C)C1 1071936731 SPCLAUGOXUWUOU-CHWSQXEVSA-N 323.393 -0.484 30 20 DBED C[C@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1NC(=O)c1nnn(C)n1 1072064066 SNFILVJFIZVVKS-WDEREUQCSA-N 318.381 -0.164 30 20 DBED N#CCN1CCO[C@@H]2CCN(C(=O)CCn3ccnn3)C[C@@H]21 1074225145 BXDHNQHBYNXKOB-QWHCGFSZSA-N 304.354 -0.507 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(O)(CNC(=O)CC2(O)CCC2)CC1 1074705470 SNQHEWNEYAJCLI-LBPRGKRZSA-N 323.393 -0.079 30 20 DBED C[C@@H](CCNC(=O)c1ncn(C)n1)NC(=O)CSCC#N 1076374126 YRRMIRYXLAECIY-VIFPVBQESA-N 310.383 -0.304 30 20 DBED C=CCCCC(=O)N[C@@H](C)CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 1076541422 ZSTZAFAKQZBEFU-QWRGUYRKSA-N 324.381 -0.048 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2cnc3ccc(OC)nn23)C1 1077254021 ILDRYBRDRCJWKX-ZYHUDNBSSA-N 315.333 -0.854 30 20 DBED C=CCCOCC(=O)N[C@@H](C)CCNC(=O)[C@@H]1CCNC1=O 1077729188 HFFPGQLHHNYIFH-RYUDHWBXSA-N 311.382 -0.274 30 20 DBED C[C@@H](CCNC(=O)C(=O)NCC(F)(F)F)NC(=O)[C@@H](C)C#N 1078058511 RRZCYFWSQPGYGJ-YUMQZZPRSA-N 322.287 -0.164 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC[C@H](N(C)C(=O)C(N)=O)CC1 1079051993 INWHRDPQFWIHDY-RYUDHWBXSA-N 309.366 -0.651 30 20 DBED C#CCNC(=O)CC(=O)N1CC(N(CC)C(=O)CC2CC2)C1 1079193159 REPIOUKZGYHMDF-UHFFFAOYSA-N 305.378 -0.015 30 20 DBED COCC(=O)NC1(CO)CCN(C(=O)c2cc(C#N)c[nH]2)CC1 1080673674 BEVRUILEPTTYND-UHFFFAOYSA-N 320.349 -0.384 30 20 DBED C#CCOCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)C(F)F)C1 1081161271 NSABPZLPWHTNNW-NXEZZACHSA-N 304.293 -0.773 30 20 DBED C=CCCOCC(=O)NC[C@H]1CN(C(=O)c2cocn2)C[C@@H]1O 1081569405 NZVXLXAMBQBEIH-AAEUAGOBSA-N 323.349 -0.184 30 20 DBED CC#CCCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cnon2)C1 1081684158 BVIAJNCXIQBUNX-WCQYABFASA-N 320.349 -0.188 30 20 DBED C#CCCCC(=O)N1CCCC[C@H]1CNC(=O)[C@H]1CNC(=O)N1 1082038197 WKURFYBYFBAOKP-QWHCGFSZSA-N 320.393 -0.031 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H]2CN(Cc3cnn(C)c3)C[C@@H]21 1083026005 KQTGUPWCSPXNNZ-KWCYVHTRSA-N 303.366 -0.009 30 20 DBED C=CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H](C)S(C)(=O)=O 1083121196 YQAHPJRSUVASSC-RWMBFGLXSA-N 316.423 -0.093 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CCN(CC(N)=O)C[C@H]2C1 1088113122 OXYRRRICFSFOCG-RQJABVFESA-N 307.394 -0.157 30 20 DBED C#CCN[C@@H]1CCCCCN(C(=O)CN2C(=O)CNC2=O)C1 1088423139 LDHRXBVZDXETEH-GFCCVEGCSA-N 306.366 -0.468 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)[C@H]1C 1088978956 MSLDYWFQHZRZMA-MNOVXSKESA-N 314.349 -0.367 30 20 DBED CCN(c1ccc(C#N)nn1)[C@H](C)CNC(=O)[C@@H]1CCC(=O)N1 1089675015 JSZDFTQEIFLYKZ-PWSUYJOCSA-N 316.365 -0.042 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2cnn3ccncc23)[C@@H](O)C1 1090328095 XYYQHMZQYLXLSZ-YPMHNXCESA-N 300.322 -0.582 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cc(CN(C)C)on2)[C@@H](O)C1 1090379212 WCVRNHSDPTZEKW-JSGCOSHPSA-N 306.366 -0.466 30 20 DBED COCC[C@@H](C)C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1O 1090429340 ZZCWZCSKHFVJLZ-RAIGVLPGSA-N 319.365 -0.313 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2cn(C)nc2OC)[C@H](O)C1 1090490687 SVPQZPXBZPSKKY-CHWSQXEVSA-N 306.366 -0.383 30 20 DBED C=CCN1CC[C@H](NC(=O)c2ccc3nnc(O)n3c2)[C@@H](O)C1 1090640087 GRMCNNLHMIATKQ-RYUDHWBXSA-N 317.349 -0.214 30 20 DBED C#CCNC1CC(CNC(=O)[C@@H]2CC(=O)N(CCOC)C2)C1 1091057199 FLLLAFQXLWOIJJ-ROKHWSDSSA-N 307.394 -0.401 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(c2nc(C)cc(C)n2)C[C@@H]1O 1091152805 IULCDZRRNUKFJK-MCIONIFRSA-N 318.377 -0.203 30 20 DBED C[C@H](NC(N)=O)C(=O)NCC1CC(Nc2ccc(C#N)nn2)C1 1092210546 ZGFYCYCLEXINEE-SILCLGDVSA-N 317.353 -0.288 30 20 DBED N#Cc1ccc(N2C[C@H]3C(NC(=O)CCc4cnn[nH]4)[C@@H]3C2)nn1 1093360185 DQGOSNUUOFCZSF-VXGBXAGGSA-N 324.348 -0.350 30 20 DBED N#Cc1cnc(NCCNC(=O)c2cc(C(N)=O)ccn2)cn1 1093717654 PGADJWYVAUTEIG-UHFFFAOYSA-N 311.305 -0.316 30 20 DBED Cc1nsc(NCCNC(=O)Cn2c(O)nnc2O)c1C#N 1093779252 FAUSLHXSEFPQOZ-UHFFFAOYSA-N 323.338 -0.446 30 20 DBED CC(C)N1CCO[C@H](C(=O)NCCNc2cncc(C#N)n2)C1 1094083246 XEOCVWDHHXNGDY-ZDUSSCGKSA-N 318.381 -0.014 30 20 DBED COC1CC(C(=O)NCc2cn(C3CN(CC#N)C3)nn2)C1 1094298611 UDVAZJHEZKDNDW-UHFFFAOYSA-N 304.354 -0.300 30 20 DBED Cn1oc(C(=O)NCCCNc2cncc(C#N)n2)cc1=O 1094409791 HBUDBOLZYUPTSX-UHFFFAOYSA-N 302.294 -0.128 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)Cc3cnn(C)c3)CC2=O)C1 1094711713 MAKFHDXAHAJVOY-ZDUSSCGKSA-N 317.393 -0.450 30 20 DBED N#CCN1CC(N2C[C@H](NC(=O)c3cc(C#N)c[nH]3)CC2=O)C1 1094721205 WTVRJRGQIBEFAM-LLVKDONJSA-N 312.333 -0.575 30 20 DBED CC#CCN1CC(N2C[C@H](NC(=O)c3c[nH]nc3C)CC2=O)C1 1094767429 BTOAEHUQODQKFU-GFCCVEGCSA-N 315.377 -0.244 30 20 DBED CC(=O)N(C)CC(=O)NC1CCN(c2ccnc(C#N)n2)CC1 1095405303 IDWKGCPNNGGJBJ-UHFFFAOYSA-N 316.365 -0.088 30 20 DBED C#CCN(CCO)C1CCN(C(=O)CCS(C)(=O)=O)CC1 1098408686 YQWDQNXQXKBZQZ-UHFFFAOYSA-N 316.423 -0.660 30 20 DBED Cn1nncc1C(=O)N1CC[C@H](n2cc(CNCC#N)nn2)C1 1098666868 JLICRNVUDVFXLH-NSHDSACASA-N 315.341 -0.893 30 20 DBED C=CCNCc1cn([C@@H]2CCN(C(=O)[C@H]3CNC(=O)N3)C2)nn1 1098705175 AFRDZLXACPNWDJ-VXGBXAGGSA-N 319.369 -0.992 30 20 DBED C[C@H](CCNC(=O)[C@H]1CNC(=O)N1)Nc1ccc(C#N)nc1 1099683294 ZKNFVTWRNMMYJL-BXKDBHETSA-N 302.338 -0.059 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2nn(C)cc2C)[C@@H](O)C1 1099813783 UPNUCXPCOOTASS-KGLIPLIRSA-N 320.393 -0.457 30 20 DBED CC(C)(C)C#CC(=O)N[C@H]1CCN(CCn2cncn2)C[C@@H]1O 1099830340 QCCYXJPMQRVFLE-KBPBESRZSA-N 319.409 -0.121 30 20 DBED CN(CCNC(=O)[C@H]1CCNC(=O)C1)c1cncc(C#N)n1 1100006685 IHBMPONBDXKIKI-JTQLQIEISA-N 302.338 -0.573 30 20 DBED Cc1cc(C#N)nc(N(C)CCNC(=O)Cn2cnnc2O)n1 1100030135 NDNKQWDXUPVBMV-UHFFFAOYSA-N 316.325 -0.794 30 20 DBED C#CCN1CC[C@@H](NC(=O)CCNC(=O)CC(C)C)[C@@H](O)C1 1100143373 SJSNPNIKMPUWPY-KGLIPLIRSA-N 309.410 -0.277 30 20 DBED CN(CCNC(=O)C[C@H]1CCC(=O)N1C)c1ccc(C#N)nn1 1100254506 YVSSQYLJDUVTHZ-GFCCVEGCSA-N 316.365 -0.088 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CC(CNC(=O)c2n[nH]cc2C)C1 1100306785 YSJJJQODPDABKD-PNESKVBLSA-N 317.393 -0.046 30 20 DBED CCCN(C)CC(=O)NCC1CC(NCC(=O)NCC#N)C1 1100900202 VNIUQVQDTFNYSD-UHFFFAOYSA-N 309.414 -0.548 30 20 DBED CNC(=O)CC(=O)N1C[C@@H]2CC[C@H](C1)N2c1nccnc1C#N 1102191963 BWXUDTKPVFDFRU-PHIMTYICSA-N 314.349 -0.336 30 20 DBED CCC(=O)NCC(=O)NC[C@@H](C)CN=c1cc[nH]c(C#N)n1 1103895891 JNGISKOSEVRRET-JTQLQIEISA-N 304.354 -0.539 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)C[C@H]1COC(=O)C1 1103947070 KDXOQMONHCGTSX-WDEREUQCSA-N 317.349 -0.112 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](C)[C@H](CCNC[C@H](C)O)C1 1104097180 FJWVVNVQJNSCRC-HZSPNIEDSA-N 309.410 -0.419 30 20 DBED C[C@@H](CN=c1cc[nH]cc1C#N)CNC(=O)C1(C(N)=O)CC1 1104191562 DPNCPKDTAQJGNK-JTQLQIEISA-N 301.350 -0.195 30 20 DBED CO[C@@H](C)C(=O)NC[C@H]1CN(c2ccnc(C#N)n2)CCO1 1104293246 QIPLWHNZWKEPBM-QWRGUYRKSA-N 305.338 -0.295 30 20 DBED C[C@H](CN=c1cc[nH]cc1C#N)N(C)C(=O)[C@@H]1CN(C)CCO1 1104539273 XOXLTYNTMKTDSB-DOMZBBRYSA-N 317.393 -0.035 30 20 DBED CC(C)[C@@H](CNC(=O)CCNC(N)=O)Nc1nccnc1C#N 1105182604 NOSNEFHEICSIGL-LLVKDONJSA-N 319.369 -0.041 30 20 DBED CC(C)[C@@H](CNC(=O)[C@H]1CNC(=O)N1)N=c1cc[nH]cc1C#N 1105277823 MLILVCROYZQZRB-CHWSQXEVSA-N 316.365 -0.391 30 20 DBED Cc1cc(N(C)CCN(C)C(=O)[C@H]2CNC(=O)N2)c(C#N)cn1 1105542352 JKSFNOZLTBSIPK-GFCCVEGCSA-N 316.365 -0.162 30 20 DBED C#CCN1CC(OC2CCN(C(=O)CN(C)C(C)=O)CC2)C1 1105690903 CCXPXAYARAIPJH-UHFFFAOYSA-N 307.394 -0.210 30 20 DBED C=CCO[C@@H](C)C(=O)NC[C@@H](O)CNc1cncc(C#N)n1 1105892220 SGIUGZNXJMSEKN-JQWIXIFHSA-N 305.338 -0.172 30 20 DBED Cn1cncc1CC(=O)NC[C@H](O)CN=c1cc[nH]cc1C#N 1105913684 GOYLVUWHHZVMPQ-CYBMUJFWSA-N 314.349 -0.760 30 20 DBED Cc1nc(O)[nH]c1C(=O)NC[C@@H](O)CNc1nccnc1C#N 1106001372 UPYUEBLKGOKLLJ-QMMMGPOBSA-N 317.309 -0.712 30 20 DBED Cc1ccn(CC(=O)NC[C@H](O)CNc2cncc(C#N)n2)n1 1106109943 BFSSBGCOUCNJDZ-GFCCVEGCSA-N 315.337 -0.558 30 20 DBED N#Cc1cncc(NC[C@H](O)CNC(=O)Cc2cnc[nH]2)n1 1106130295 SYTWDJKNYXLOBM-NSHDSACASA-N 301.310 -0.797 30 20 DBED C[C@H](CCNc1ccc(C#N)nn1)NC(=O)Cn1cnnc1O 1106287291 IKBUJKDAHDDXFI-SECBINFHSA-N 316.325 -0.348 30 20 DBED C=CCN1CC(n2cc(CNC(=O)CN3CCOCC3)nn2)C1 1107160989 SPDDVHMVLAORLX-UHFFFAOYSA-N 320.397 -0.731 30 20 DBED C=C(C)CCN1CCO[C@@](C)(CNC(=O)Cn2ncnn2)C1 1107945321 DGHJIGDRDWYHAA-AWEZNQCLSA-N 308.386 -0.154 30 20 DBED C#CCCN1CCO[C@@](C)(CNC(=O)[C@@]2(C)CNC(=O)C2)C1 1108093336 TZUKKSLCUWYNEN-CVEARBPZSA-N 307.394 -0.257 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)[C@H]1CCCCC(=O)N1 1108105728 PKZIYHIMCCGEAZ-GHMZBOCLSA-N 316.365 -0.254 30 20 DBED C=CCCN1CCO[C@](C)(CNC(=O)CS(=O)(=O)NC)C1 1108404385 AXGIBMBJABFDJS-CYBMUJFWSA-N 319.427 -0.681 30 20 DBED C#CCN1CCN(C(=O)CCCOC)[C@@H]2CS(=O)(=O)C[C@@H]21 1108460225 PPZLDIVOHRLSFA-QWHCGFSZSA-N 314.407 -0.644 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)CCc3cnc[nH]3)CC2=O)C1 1108549719 OLPXKHUUVWELMP-ZDUSSCGKSA-N 317.393 -0.070 30 20 DBED COC(=O)NCC(=O)N[C@@H](C)CN(C)c1ccnc(C#N)n1 1108830931 BKCLWGHLVPZNME-VIFPVBQESA-N 306.326 -0.355 30 20 DBED C[C@H](CN(C)c1ccc(C#N)nn1)NC(=O)[C@@]1(C)CNC(=O)C1 1109157041 VHFCRTOFPLDEST-MEBBXXQBSA-N 316.365 -0.185 30 20 DBED C[C@H](CN(C)c1ccnc(C#N)n1)NC(=O)[C@@H]1CCN(C)C1=O 1109183959 QBQWNIVTLGLQGS-MNOVXSKESA-N 316.365 -0.233 30 20 DBED Cc1cc(=NCCCN(C)C(=O)Cn2ncnn2)c(C#N)c[nH]1 1109528464 SVLHMNGGKIFPNU-UHFFFAOYSA-N 314.353 -0.369 30 20 DBED N#Cc1cncc(NC[C@H](NC(=O)[C@H]2COC(=O)N2)C2CC2)n1 1109832368 FJZUTEQAQFNWIL-WDEREUQCSA-N 316.321 -0.237 30 20 DBED N#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C(=O)NCC(F)(F)F 1111194302 XKMMCZLHMUIWNJ-HLTSFMKQSA-N 304.272 -0.090 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](NCC#N)[C@H](C(F)(F)F)C1 1112085637 GHYDZPBFLCKXIC-NXEZZACHSA-N 316.283 -0.372 30 20 DBED CN(CCCN(C)c1ccnc(C#N)n1)C(=O)C1(C(N)=O)CC1 1112175838 ZUATXAUTJRUQGN-UHFFFAOYSA-N 316.365 -0.102 30 20 DBED C[C@H](N=c1cc[nH]c(C#N)n1)[C@@H](C)NC(=O)C(=O)NCC1CC1 1113132700 JPQKPGGGTDMHKH-VHSXEESVSA-N 316.365 -0.399 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)CCc2nccn2C)CC1 1113135814 PQEHVXCWCMNUGS-UHFFFAOYSA-N 319.409 -0.201 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 1113365557 OWKOKZVNLWEUHG-YJNKXOJESA-N 319.405 -0.164 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)Cc3ccon3)[C@@H]2C1 1114095161 CTFYAKNROQLITQ-VXGBXAGGSA-N 304.350 -0.434 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3cc[nH]c3CC)[C@H]2C1 1114215009 OEZWHAXVYFETGX-STQMWFEESA-N 314.389 -0.014 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)Cc3nnc(C)o3)[C@H]2C1 1114217656 UDLLUHOWNPFSHN-JYAVWHMHSA-N 304.350 -0.383 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@@H]3CCN(C)[C@@H]3C)[C@H]2C1 1114298319 IDNPDSRKFPFDCW-FAHYXWLWSA-N 320.437 -0.325 30 20 DBED CNC(=O)CC(=O)N[C@H]1C[C@H](CNc2cncc(C#N)n2)C1 1114763437 VOVNZWIDSJQKPK-MGCOHNPYSA-N 302.338 -0.209 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)Cn3ccc(C)n3)[C@H]2C1 1114846819 RATAYSPJNSEVDP-VIKVFOODSA-N 317.393 -0.460 30 20 DBED C=C(C)CN1C[C@H]2C(NC(=O)[C@@H](CCC(N)=O)NC(C)=O)[C@@H]2C1 1114977788 INMQODYJPHAVER-JHJVBQTASA-N 322.409 -0.621 30 20 DBED COCC[C@@H](C)C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1115266663 XQVUCLKKRZBPQA-NMKXLXIOSA-N 308.382 -0.655 30 20 DBED C=CCCOCC(=O)N[C@H]1[C@@H]2CN(Cc3ncnn3C)C[C@@H]21 1115324178 MHVIUTSAGNOINR-JYAVWHMHSA-N 305.382 -0.046 30 20 DBED N#CCOc1ccc(CC(=O)NCCCS(N)(=O)=O)cc1 1116041920 BENIXYXMAKWCJZ-UHFFFAOYSA-N 311.363 -0.074 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)N[C@H]2CCN3CCC[C@@H]3C2)C1 1118144970 GJUDVEDKLQRKBD-ZENOOKHLSA-N 320.393 -0.394 30 20 DBED C#CCCNC1(CNC(=O)CS(=O)(=O)NC)CCCCC1 1120153021 WZIFVAXCHCDACK-UHFFFAOYSA-N 315.439 -0.032 30 20 DBED C#CCNC(=O)CNC1CC2(C1)CC(NC(=O)[C@H](C)C#N)C2 1120841325 NXNWQPWVWMZOMM-MPXNVAGNSA-N 302.378 -0.088 30 20 DBED N#Cc1c[nH]ccc1=N[C@H](CO)CNC(=O)C1=COCCO1 1121004285 RITVZYRROCSNOV-NSHDSACASA-N 304.306 -0.848 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](CO)Nc1ncnc2c1CN(C)CC2 1121205999 SNDQQTGCANGSHE-WDEREUQCSA-N 318.381 -0.487 30 20 DBED CCc1nc(C#N)cc(N[C@H](CO)CNC(=O)[C@H](O)C(C)C)n1 1121393458 UXTCYAXEERXHLY-SMDDNHRTSA-N 321.381 -0.183 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@H](CO)Nc1cc(COC)ncn1 1121405914 QSDLDLNYQMMUJK-WFASDCNBSA-N 324.381 -0.161 30 20 DBED N#Cc1nc(=N[C@@H](CO)CNC(=O)Cc2cccnc2)cc[nH]1 1121445491 ACMZMSVKIXLZNB-GFCCVEGCSA-N 312.333 -0.703 30 20 DBED Cc1ccc(C#N)c(N[C@H](CO)CNC(=O)[C@@H](C)CC(N)=O)n1 1122358074 YJSLYJJJXKMXKN-CABZTGNLSA-N 319.365 -0.338 30 20 DBED CCC(=O)N[C@H](C)C(=O)NC[C@@H](CO)Nc1ncccc1C#N 1122752249 KJAUZPBRMXVJCC-PWSUYJOCSA-N 319.365 -0.243 30 20 DBED CN(C[C@@H](O)CNc1nccnc1C#N)C(=O)C1=COCCO1 1124071934 HXJDHSGKECZYPY-JTQLQIEISA-N 319.321 -0.532 30 20 DBED C=CCOCC(=O)NCCNCc1nnnn1CC(F)(F)F 1124767842 LYUXGRZHFMXPAX-UHFFFAOYSA-N 322.291 -0.356 30 20 DBED C#CCNC(=O)CC(=O)NCCNCc1cccc(C(N)=O)c1 1125977974 JFURJSFGTZVKQZ-UHFFFAOYSA-N 316.361 -0.869 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)Cc2n[nH]c(C)n2)C1=O 1126920858 DAIQAIZBKGYVSF-LLVKDONJSA-N 306.370 -0.852 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCNCc1ccnc(OC)n1 1129771069 PXWQFMBLTMIORM-AWEZNQCLSA-N 317.393 -0.211 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H](n2ccnn2)[C@H](NC(C)C)C1 1129775255 VQSDBELJHIEKOM-OLZOCXBDSA-N 318.381 -0.833 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)c2cnnc(O)c2)C1=O 1129990630 GJNYVPHRYBXXPC-NSHDSACASA-N 305.338 -0.712 30 20 DBED COCCC(=O)NCc1nc([C@H]2CC[C@@H](CNCC#N)O2)n[nH]1 1130754606 JJYSOPGRUURHFD-WDEREUQCSA-N 322.369 -0.209 30 20 DBED C=C[C@@H](C)[C@@H](C)C(=O)N1CCC(=O)NCCN(CC(N)=O)CC1 1131378963 NVQBKOPIAGNPFR-CHWSQXEVSA-N 324.425 -0.420 30 20 DBED C[C@@H]1CN(C(=O)C(=O)NCC2CC2)C[C@@]2(CCN(CC#N)C2)O1 1131691978 BXRDLWMJISXKQE-WBMJQRKESA-N 320.393 -0.272 30 20 DBED C=CCn1cc(C(=O)NCCN[C@@H]2CCCN(C)C2=O)nn1 1134969048 BYNNBQWDFCXBIR-LLVKDONJSA-N 306.370 -0.596 30 20 DBED COCC#CCN[C@@H](C)C[C@@H](C)NC(=O)c1cn(C)c(=O)cn1 1135044766 ZUQVYFPITIMGNX-QWHCGFSZSA-N 320.393 -0.083 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)c1nocc1C 1146849247 MTZVVRCZUXLNCK-JTQLQIEISA-N 323.353 -0.297 30 20 DBED CC(C)(F)C(=O)NC[C@@H]1CN(CC(=O)NCC#N)CCCO1 1149026263 BRTXXHXWUWXISN-LLVKDONJSA-N 314.361 -0.419 30 20 DBED COc1ccc(CCC(=O)NCCNCC(=O)NCC#N)cc1 1150182091 ABBOEUWUDHOEOQ-UHFFFAOYSA-N 318.377 -0.027 30 20 DBED CCc1noc(CCCC(=O)NCCNCC(=O)NCC#N)n1 1150971911 PFVRXTVOQXZFLR-UHFFFAOYSA-N 322.369 -0.700 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)CCc1nccs1 1151505938 HKWSCKXSFWUIMZ-LLVKDONJSA-N 308.407 -0.081 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)c1cn(C)nn1 1153138803 HPBSEMBPBBFHLN-LLVKDONJSA-N 306.370 -0.995 30 20 DBED CN(CC#N)C[C@H]1CCCCN1C(=O)[C@@H]1CCS(=O)(=O)N1 1158872145 DRECYPFHDRDALU-NEPJUHHUSA-N 314.411 -0.485 30 20 DBED N#CCNC(=O)CNCCCNC(=O)c1cc2n(n1)CCCC2 1160599048 RCDCZFZDWUEZEI-UHFFFAOYSA-N 318.381 -0.431 30 20 DBED N#CCNC(=O)CN1CC=C(CCNC(=O)c2nc[nH]n2)CC1 1161497210 TYCORGQJQHGLAD-UHFFFAOYSA-N 317.353 -0.804 30 20 DBED COCC#CCNCCCNC(=O)c1ccnc2[nH]nnc12 1162284640 HNAUWGPKZJJMOG-UHFFFAOYSA-N 302.338 -0.288 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@@H](C)Cc1cnc[nH]1 1167985181 BPNJLPJPQZPHIW-LBPRGKRZSA-N 307.398 -0.014 30 20 DBED C=CCNC(=O)CNCCCC[C@@H](C)NC(=O)c1cnn[nH]1 1171657016 DWRADYVILGNFCB-LLVKDONJSA-N 308.386 -0.015 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)[C@@H]1CCN(C(C)=O)C1 1174851428 RDHPOTNMNIKWGR-GXTWGEPZSA-N 324.425 -0.359 30 20 DBED COCC#CCN1CCO[C@H]2CCN(C(=O)c3cnn[nH]3)C[C@@H]21 1177042675 QYKIHXHLALKOCK-KBPBESRZSA-N 319.365 -0.630 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@H](NCC(=O)NCC=C)[C@@H]1C 1178679125 ZJQMZYCMSOUKHW-IHRRRGAJSA-N 307.394 -0.094 30 20 DBED N#CCNCCCCCCNC(=O)Cn1ccc(O)nc1=O 1178961875 CQYATQVIMYDTLI-UHFFFAOYSA-N 307.354 -0.261 30 20 DBED C=CCNCCCCCCNC(=O)CNS(=O)(=O)NC 1179139892 TYAOWOLWTJPKCL-UHFFFAOYSA-N 306.432 -0.508 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)[C@H]1C 1179963623 RAVYBWVBZJPAOI-VOAKCMCISA-N 322.409 -0.465 30 20 DBED CCc1nc(C(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)c(C)o1 1186249436 CRPCCJFVPSZSML-LLVKDONJSA-N 319.365 -0.011 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)[C@@H]3CCCCO3)[C@@H]2C1 1187523330 POADAEZKOUHJLN-ZNMIVQPWSA-N 319.405 -0.162 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2ccnc(C)n2)C1 1187887777 OOSAWCWEJRJPFT-GFCCVEGCSA-N 301.350 -0.661 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](N(C)CCCN2C(=O)CNC2=O)C1 1189400885 PXPREOOYEPRQJW-VXGBXAGGSA-N 321.381 -0.379 30 20 DBED N#CCNC(=O)CN1C[C@@H]2CCN(C(=O)Cc3ncc[nH]3)[C@@H]2C1 1189529868 AMMOTNBJPVKAAQ-NWDGAFQWSA-N 316.365 -0.875 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)C[C@H]2COC(=O)C2)C1 1189642494 RJIADOYQNMDIEA-CHWSQXEVSA-N 321.377 -0.778 30 20 DBED COc1coc(CN2C[C@@H](O)[C@H](NC(=O)[C@@H](C)C#N)C2)cc1=O 1191881919 LJZZLDHGEAMSEK-UFGOTCBOSA-N 321.333 -0.531 30 20 DBED CC#CCN(C)[C@@H]1CCN(C(=O)Cn2nc(C)n(C)c2=O)C1 1193787705 RVYGEURITOMWIY-CYBMUJFWSA-N 305.382 -0.554 30 20 DBED CNC(=O)NC(=O)[C@@H](C)N1CCCN(C(=O)[C@@H](C)C#N)CC1 1195322354 YKTMDYBJHROCTA-WDEREUQCSA-N 309.370 -0.476 30 20 DBED Cc1[nH]nc(C(=O)N2CCCN(CC(=O)NCC#N)CC2)c1C 1195355948 JSTUQSKIHOZNCX-UHFFFAOYSA-N 318.381 -0.186 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 1196284007 OHUZBOKQBJRSNW-KSTCHIGDSA-N 323.393 -0.983 30 20 DBED CC#CCNC[C@H]1CN(C(=O)[C@@H]2CC(=O)N(C)C2)CCCO1 1200635053 QJENUCZYCQCELA-KGLIPLIRSA-N 307.394 -0.305 30 20 DBED CNC(=O)NCC(=O)N1C[C@H]2CC[C@H]1[C@@H](NCC#CCOC)C2 1204407390 IBVZAZAMICVRGT-IHRRRGAJSA-N 322.409 -0.466 30 20 DBED CCS(=O)(=O)N(C)CC(=O)N1CCC(CNCC#N)CC1 1206738545 UFCOMBJIGLCWAO-UHFFFAOYSA-N 316.427 -0.380 30 20 DBED N#CCNC(=O)CN[C@H]1CCCN(C(=O)[C@H]2CC2(F)F)C1 1207985938 BWXIFJPZDZCDAQ-VHSXEESVSA-N 300.309 -0.138 30 20 DBED CC(C)C#CC(=O)N1CCC[C@@H](NCCN2C(=O)CNC2=O)C1 1208005447 GSXADKDCUMKWMY-CYBMUJFWSA-N 320.393 -0.222 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC[C@H](NCc2cnnn2C)C1 1208017819 GADBBKAWXAWNIG-STQMWFEESA-N 305.382 -0.066 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)C[C@@H](C)COC)[C@H](C)C1 1209895323 CWCOOTVADBXQKT-MGPQQGTHSA-N 309.410 -0.155 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)CN(CC)CC)C1 1210221256 YOQWITJXRGPKRR-CQSZACIVSA-N 308.426 -0.342 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)C23CCN(CC2)C3)C1 1210674560 ZDHSZGIKZODBBI-CQSZACIVSA-N 318.421 -0.588 30 20 DBED CO[C@@H]1CN(CCc2ccnn2C)C[C@H]1NC(=O)[C@H](C)C#N 1212041637 WLZSXOCRKZJRTO-MRVWCRGKSA-N 305.382 -0.062 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2cc(C)[nH]n2)C[C@H]1C 1214229442 ZKLHXTBKGCHWJC-SCDSUCTJSA-N 317.393 -0.094 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CN(Cc2ccc(C#N)s2)C[C@@H]1O 1219507940 FABOIPSSPIGWBV-NEPJUHHUSA-N 322.390 -0.583 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2cncs2)C[C@@H]1O 1219605266 NOQOMDXALJTECM-RTXFEEFZSA-N 309.391 -0.157 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)COC[C@@H]2CCOC2)C1 1220459688 ZOQLPWGIMBQOGG-UPJWGTAASA-N 318.801 -0.047 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)CCC2(C)CC2)C1 1220674501 WYKVMZGAZGVOEK-OLZOCXBDSA-N 307.394 -0.523 30 20 DBED C#CCO[C@H](C)C(=O)NC1CCN(CCS(C)(=O)=O)CC1 1227342093 HYRJJQMRYFQXOO-GFCCVEGCSA-N 316.423 -0.350 30 20 DBED C=CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)CN1CCOCC1 1233770642 KTCPZPBEEARQQN-CQSZACIVSA-N 324.425 -0.847 30 20 DBED C#CCNC(=O)CC(=O)N(C)C[C@H]1CCN1[C@H](C)C(=O)N(C)C 1233808490 BBJJOHJFVMDLHD-CHWSQXEVSA-N 322.409 -0.865 30 20 DBED CC[C@]1(c2cnn(C)c2)NC(=O)N(CC(=O)NCC#N)C1=O 1319719848 YZFUFFYQWBKIHY-CYBMUJFWSA-N 304.310 -0.783 30 20 DBED CCCNC(=O)CCNC(=O)C(=O)Nc1ccn(CCC#N)n1 1323705921 BJUXMDWHWYBWCW-UHFFFAOYSA-N 320.353 -0.232 30 20 DBED COC(=O)N1CC(NC(=O)C(=O)N2CCC[C@@](C)(C#N)C2)C1 1324083780 UPZDDHXGOFDGAN-AWEZNQCLSA-N 308.338 -0.295 30 20 DBED CC(C)OC[C@@H](CO)N(C)C(=O)C(=O)N1CC[C@](F)(C#N)C1 1325177171 POQHPXSWIGKDOO-RISCZKNCSA-N 315.345 -0.305 30 20 DBED C#CCOCCNC(=O)C(=O)NCC1([S@@](C)=O)CCC1 1326802573 ZICKXSOJEVLWST-HXUWFJFHSA-N 300.380 -0.830 30 20 DBED C#CCN1CCC[C@H](NC(=O)N2CC[C@H](S(C)(=O)=O)C2)C1 1333216731 YBYXKTBSOCIYJX-STQMWFEESA-N 313.423 -0.088 30 20 DBED O=C1C=CC=N/C1=C(/O)NCCN1C(=O)CN(C2CC2)C1=O 1341230433 UJCMRBHMOKWPGM-OUKQBFOZSA-N 304.306 -0.061 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)NC[C@H]1CCCN(C(C)=O)C1 1342069248 HBBVFEGDKSAELW-OLZOCXBDSA-N 311.382 -0.322 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)c1ncsc1S(N)(=O)=O 1342573303 LMTHGOLSUNYTET-LURJTMIESA-N 317.348 -0.915 30 20 DBED COC(=O)[C@@H]1CN(C(=O)C(=O)N2CC[C@@](F)(C#N)C2)C[C@H]1C 1345971250 DAMBXIVMABBMTB-GPCCPHFNSA-N 311.313 -0.282 30 20 DBED CC(C)N1CCN(C(=O)C(=O)N2CC[C@](F)(C#N)C2)CC1=O 1348330046 XTUJEDOVHAOFSY-AWEZNQCLSA-N 310.329 -0.470 30 20 DBED C=CCCn1cc(C(=O)N2CCC(OCC(N)=O)CC2)nn1 1348973531 UMJKBUZMNJEYJC-UHFFFAOYSA-N 307.354 -0.039 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N1CCN(C)C(=O)[C@@H]1C 1349487476 VNHVVXMJAXLOQK-NWDGAFQWSA-N 309.366 -0.780 30 20 DBED C#CC[C@H](CO)NC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C 1354149631 TXEPKLUDXBFKLM-ZIAGYGMSSA-N 324.425 -0.388 30 20 DBED C=CCn1c([C@@H]2CNC(=O)C2)nnc1N(C)C[C@@H](C)C(=O)NC 1355379182 KAUQXBDNUUVZCB-MNOVXSKESA-N 320.397 -0.114 30 20 DBED CC(C)N1CCC[C@H](NC(=O)Cn2cc(C#N)c(O)nc2=O)C1 1362623891 CYLJDWKGNOCBCT-LBPRGKRZSA-N 319.365 -0.190 30 20 DBED C[C@@H]1COC[C@@H]1NC(=O)NCCn1cc(C#N)c(O)nc1=O 1365263838 RYYYYOXPJILMNM-SCZZXKLOSA-N 307.310 -0.845 30 20 DBED CO[C@H]1CC[C@H](NC(=O)NCCn2cc(C#N)c(O)nc2=O)C1 1365372497 SZVRJQZBEHJFNT-QWRGUYRKSA-N 321.337 -0.313 30 20 DBED C[C@@H](CNC(=O)c1ccc2nn[nH]c2n1)NC(=O)[C@@H](C)C#N 1372922548 PZNMUDCGBUNFKR-YUMQZZPRSA-N 301.310 -0.253 30 20 DBED CCCN(CCNC(=O)[C@H]1CN(C)CCO1)C(=O)[C@@H](C)C#N 1374111215 YCINTHWBMLSFRL-QWHCGFSZSA-N 310.398 -0.169 30 20 DBED Cc1cc(C)n(CC(=O)N[C@H](C)CNC(=O)[C@H](C)C#N)c(=O)n1 1386454299 CACCDJZKQTZNAK-MWLCHTKSSA-N 319.365 -0.359 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)c2cccc(C(N)=O)n2)CC1 1389866966 AVWXSNIFECIXEX-VIFPVBQESA-N 315.333 -0.281 30 20 DBED CCCS(=O)(=O)CC(=O)N[C@H]1CCN(C(=O)[C@H](C)C#N)C1 1397157206 BEAABISKORDAHZ-MNOVXSKESA-N 315.395 -0.312 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1ncc2n1CCCC2 1399822420 GJKBCXPLDMETHI-PWSUYJOCSA-N 319.365 -0.414 30 20 DBED CC(=O)NCC(=O)NC[C@@H]1CCN1C(=O)c1cc(C#N)c[nH]1 1400383003 YXAWURTVUDXCJQ-NSHDSACASA-N 303.322 -0.647 30 20 DBED C[C@@H](CNC(=O)c1cnc2[nH]nnc2c1)NC(=O)[C@H](C)C#N 1408205293 CNCWKENGHJPXTJ-SFYZADRCSA-N 301.310 -0.253 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](C)CCNC(=O)c1cn(C)c(=O)nc1O 1408465218 IPNOQPIELNVVQN-DTWKUNHWSA-N 321.337 -0.730 30 20 DBED CC[C@H](OC)C(=O)NC[C@H](O)CNC(=O)c1c[nH]c(C#N)c1 1410082330 JGXBYJFJOUXYMW-NEPJUHHUSA-N 308.338 -0.482 30 20 DBED COC(=O)[C@H]1C[C@@H](O)CN1S(=O)(=O)N(C)[C@@H](C)CC#N 1414324255 HIGUHXMLZAGFCE-IVZWLZJFSA-N 305.356 -0.927 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)CNC(=O)C(C)(C)C)[C@H]2C1 1415066622 OSXJHOZFJLHCEE-DCQANWLSSA-N 320.393 -0.119 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1ncc(F)cc1F 1416769571 OBMUMKBPFHPBFR-APPZFPTMSA-N 312.276 -0.274 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)c2ccn3nnnc3c2)CC1 1417182634 RQRUAMKAGSITMW-SECBINFHSA-N 313.321 -0.337 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1)N(C)C(=O)c1c[nH]c(C#N)c1 1424241358 VIBJEATUFZAKOT-CABZTGNLSA-N 317.349 -0.258 30 20 DBED CCCC[C@@H](NC(N)=O)C(=O)NCCN(C)C(=O)[C@H](C)C#N 1431334807 LXEBNEOIMJDBHI-GHMZBOCLSA-N 311.386 -0.052 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1cn(C)nc1C1CC1 1433294342 LKIDSZKJXVUBTE-MWLCHTKSSA-N 319.365 -0.336 30 20 DBED C=C(Cl)CN[C@H](C)CNC(=O)C[C@H](NC(C)=O)C(N)=O 1442001851 QCNAUWYHOHKBKN-SCZZXKLOSA-N 304.778 -0.787 30 20 DBED CCC(=O)N[C@@H](C)C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N 1454633771 SMZGHWDXIYLMPW-VIFPVBQESA-N 320.353 -0.029 30 20 DBED CCOCC(=O)N(C)CCN1CCN(C(=O)[C@H](C)C#N)CC1 1456061018 JLTHWQYALOUEDF-CYBMUJFWSA-N 310.398 -0.215 30 20 DBED N#Cc1c[nH]c(C(=O)NCC2CN(C(=O)CCCC(N)=O)C2)c1 1456454319 DLPLXBJLYYUFMM-UHFFFAOYSA-N 317.349 -0.270 30 20 DBED CC(=O)N1CC(C(=O)N(C)[C@H](CNC(=O)[C@H](C)C#N)C2CC2)C1 1487649424 CERKKOPDNYIGNZ-QMTHXVAHSA-N 320.393 -0.022 30 20 DBED Cc1cc(C(=O)N(C)C[C@@H](O)CNC(=O)[C@H](C)C#N)ncn1 1488348297 NXOHXWRZTIMFOS-KOLCDFICSA-N 305.338 -0.506 30 20 DBED C[C@H](C#N)C(=O)NCCN(C)C(=O)c1ccc2nn[nH]c2n1 1496501109 NCBCNBMNZKRHRB-MRVPVSSYSA-N 301.310 -0.299 30 20 DBED C#CCN(C)c1nnc([C@H]2COCCN2)n1C[C@H](C)N(C)C 1574615041 RLIIKTCFIZIEMQ-QWHCGFSZSA-N 306.414 -0.042 30 20 DBED N#C[C@]12CN(C(=O)NCC(F)(F)CN)C[C@H]1CS(=O)(=O)C2 1580057306 RFOMWNICJWWJFK-WCBMZHEXSA-N 322.337 -0.840 30 20 DBED CCCN(CC(=O)OC)c1cnc(C#N)c(-c2nn[nH]n2)n1 1590621170 CDWPJXMPTWPVDO-UHFFFAOYSA-N 302.298 -0.082 30 20 DBED N#Cc1ncc(SCCc2nn[nH]n2)nc1-c1nn[nH]n1 1592708688 IWOXXMWCZJCPOL-UHFFFAOYSA-N 301.299 -0.624 30 20 DBED N#Cc1ccc(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)O)s1 1594617740 JZMWFQQGVFPMLU-MRVPVSSYSA-N 314.344 -0.056 30 20 DBED N#CCN1CCOC2(CCN(C(=O)[C@@H]3C[C@@H]3C(=O)O)CC2)C1 1601074765 PVSPDBCSDHDEMU-NEPJUHHUSA-N 307.350 -0.076 30 20 DBED CC[C@@]1(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[nH]2)CCNC1=O 1604081817 QCCBRHAGVPVDQG-GFCCVEGCSA-N 315.297 -0.684 30 20 DBED COc1ncccc1Cn1c(=O)c(C#N)cn(CC(=O)O)c1=O 1604912096 PEGQFTYHGXGYIX-UHFFFAOYSA-N 316.273 -0.582 30 20 DBED N#Cc1ncccc1S(=O)(=O)N1CCCNC[C@@H]1C(=O)O 1610633890 CZEFOJFVVCWHHZ-SNVBAGLBSA-N 310.335 -0.610 30 20 DBED CN1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CC(=O)NCC#N 1713934559 ABQIDIYPIKHODB-IHRRRGAJSA-N 319.409 -0.604 30 20 DBED C=CCNC(=O)[C@@H](C)N(C)CCCNC(=O)[C@H]1CCCNC1=O 1751994675 KFOOJUCZWXZHGR-OLZOCXBDSA-N 324.425 -0.359 30 20 DBED COCC#CCN[C@H](CNC(=O)c1nccnc1N)C1CC1 1752450967 PTLZPKWJMMWPFN-GFCCVEGCSA-N 303.366 -0.193 30 20 DBED COCC#CCN[C@H]1C[C@@H](NC(=O)[C@]2(C)CCNC(=O)C2)C1 1752737495 MWERLCLMECFIIG-DVOMOZLQSA-N 307.394 -0.211 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H](C)CNC(=O)CN1CCCCC1=O 1752884707 GGVNYWRKUKTQMO-OLZOCXBDSA-N 322.409 -0.769 30 20 DBED CN(CCNCc1cc(C#N)ccc1F)C(=O)[C@@H]1CNC(=O)N1 1753225747 BENNZAJQSMISDN-ZDUSSCGKSA-N 319.340 -0.073 30 20 DBED C#CCO[C@H](C)C(=O)NCC[C@@H]1CCN(CC(=O)NCC#N)C1 1753327823 JHMCLAVILBVEQM-ZIAGYGMSSA-N 320.393 -0.507 30 20 DBED C#CCNC(=O)CN1CC(CNC(=O)[C@H](OCC)C(C)C)C1 1753403342 SBWMEYPKGITFQK-OAHLLOKOSA-N 309.410 -0.155 30 20 DBED C#CCN1CCO[C@H](CNC(=O)[C@@H](NC(C)=O)[C@@H](C)CC)C1 1753657797 HGTXHVFZSWDZSE-CFVMTHIKSA-N 309.410 -0.013 30 20 DBED N#CCNC(=O)CNC[C@H]1CCC[C@H]1NC(=O)CC1(O)CCC1 1753884661 LFHBJUMSCLJGHM-CHWSQXEVSA-N 322.409 -0.194 30 20 DBED C=CCNC(=O)CN(C)C[C@@H](C)NC(=O)c1cc(C(N)=O)c[nH]1 1754327417 AGJORYVDRFPREZ-SNVBAGLBSA-N 321.381 -0.534 30 20 DBED COCC#CCN1CC[C@@H]1CNC(=O)C[C@@H]1CCC(=O)NC1 1754485581 YBUHLDPIZCKLDS-UONOGXRCSA-N 307.394 -0.257 30 20 DBED CN(C(=O)[C@@H]1CCO[C@H]1C1CC1)C1CN(CC(=O)NCC#N)C1 1754579289 LGPBHSXCLUJLAX-HIFRSBDPSA-N 320.393 -0.416 30 20 DBED C=CCOCCN1CC(N(C)C(=O)c2cn(C)c(=O)n2C)C1 1754588207 ODKXQRBSSYNJTA-UHFFFAOYSA-N 308.382 -0.317 30 20 DBED C=CCN1CCC[C@](C)(CNC(=O)c2cn(CC(N)=O)nn2)C1 1754732790 CDYBLTKPGXGTIJ-OAHLLOKOSA-N 320.397 -0.219 30 20 DBED CC#CCN1CC(O)(CNC(=O)C[C@@H]2CCOC[C@H]2OC)C1 1754768346 JVZIIJWXTBCTGN-UONOGXRCSA-N 310.394 -0.386 30 20 DBED C#CCNC(=O)CN[C@H](C)[C@@H]1CCN(C(=O)c2cn[nH]c2)C1 1754787381 JITDZAXDGZFPSV-VXGBXAGGSA-N 303.366 -0.401 30 20 DBED CC1CCN(C(=O)CNCCN(CCO)C(=O)[C@H](C)C#N)CC1 1754878370 QQWAOUPLZCDNKW-CQSZACIVSA-N 324.425 -0.185 30 20 DBED C#CCN1CC[C@@]2(NC(=O)C[C@H](NC(C)=O)C(N)=O)CCC[C@@H]12 1755702142 TVCWOJOZFXWVGR-ZENOOKHLSA-N 320.393 -0.887 30 20 DBED CC#CCN(C)C[C@H](O)CN(C)C(=O)c1cnn(CCOC)c1 1755807108 CCJRBBITSVXQQQ-HNNXBMFYSA-N 322.409 -0.083 30 20 DBED C#CCNC(=O)CNC[C@@H](NC(=O)[C@@H](C)CC(N)=O)C(C)(C)C 1755829860 GXYUVFZBSVVFJD-NWDGAFQWSA-N 324.425 -0.632 30 20 DBED COCCN(CC#N)CCNC(=O)c1cc(C)c(C(N)=O)cn1 1755840858 NOLQOOSZSUQRTB-UHFFFAOYSA-N 319.365 -0.309 30 20 DBED C=C(C)CCC(=O)NC1(CCO)CN(C(=O)Cn2nccn2)C1 1756082638 BTFFCLNJWQUPDV-UHFFFAOYSA-N 321.381 -0.286 30 20 DBED C=CCOCC(=O)N1CC2(CCCN(C(=O)CC(=O)NC)C2)C1 1756236179 HUJLNVNZDOYOPC-UHFFFAOYSA-N 323.393 -0.224 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H](C)CN(C)C(=O)c1cnn(C)n1 1756471705 BDYMQKNRVAASAP-WDEREUQCSA-N 307.354 -0.570 30 20 DBED Cc1c(C(=O)N[C@H](CO)CNC(=O)C#CC2CC2)ccn1C 1756519324 FNIAMKCMBFFGAD-ZDUSSCGKSA-N 303.362 -0.046 30 20 DBED C=C(C)CCC(=O)N[C@@H]1CN(C(=O)C[C@H]2CCNC2=O)C[C@@H]1O 1757179493 VEYYMONTDXWTDZ-UPJWGTAASA-N 323.393 -0.443 30 20 DBED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@@H]1F)CCO2 1783558555 RIKSJGIZHOMCSU-JRPNMDOOSA-N 324.308 -0.738 30 20 DBED Cn1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CC#N)n1 1795077892 AWTIUPGGGMLHEE-GNXNZQSNSA-N 317.349 -0.463 30 20 DBED CC(C)(O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC#N 1795083689 UWQHGCPQPDABNO-GNXNZQSNSA-N 309.366 -0.349 30 20 DBED C#CC(=O)N1CCCC12CN(C(=O)c1nccnc1C(N)=O)C2 1845959678 URWJNLNSYPUKMQ-UHFFFAOYSA-N 313.317 -0.974 30 20 DBED CC(C)(C#N)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C#CC(=O)O 1847346998 BEJRBNUMIJNPHK-QWRGUYRKSA-N 303.318 -0.174 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(CC(=O)N2CCCC2)CC1 52661681 WOZIGWYCMUQHGA-AWEZNQCLSA-N 308.426 -0.083 30 20 DBED Cn1c(NC[C@H](O)C2CCOCC2)c(C#N)c(=O)n(C)c1=O 76690643 LRODYISCMGGWDC-NSHDSACASA-N 308.338 -0.845 30 20 DBED C=CCN(C)CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 121395073 KDOKPIZJTYOKSH-CYBMUJFWSA-N 315.439 -0.565 30 20 DBED C[C@H](O)C(=O)N1CCN(CC(=O)N[C@@](C)(C#N)C2CC2)CC1 152941119 XLBIBXQQNIWJRL-NHYWBVRUSA-N 308.382 -0.680 30 20 DBED N#Cc1ccc([C@H](O)CN2CCN(S(N)(=O)=O)CC2)cc1 156329472 WYCBIGGUQCPYBV-CYBMUJFWSA-N 310.379 -0.587 30 20 DBED C=C1CCN(CC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 264500498 CQAXURFNYZIORB-LLVKDONJSA-N 315.395 -0.349 30 20 DBED COC(=O)[C@@H]1COCCN1CC(=O)N(CCC#N)CCC#N 267729187 BBYYAUSRKFSBGS-LBPRGKRZSA-N 308.338 -0.484 30 20 DBED CN(C)C(=O)O[C@H]1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)C1 294875942 DSIFPLOUCJNIHT-VIFPVBQESA-N 321.337 -0.767 30 20 DBED CC[C@@H](C)NC(=O)CC/N=C(/N)NCCCN1CCOCC1 303880613 KIQXEEYBSUZDFJ-CYBMUJFWSA-N 313.446 -0.082 30 20 DBED CN1CC(=O)N(C/C(O)=N/CCN2CCOC(C)(C)C2)C1=O 328664998 YXKMESLRUMGWMJ-UHFFFAOYSA-N 312.370 -0.052 30 20 DBED CN(/C(O)=N/C[C@@H]1CCN(S(C)(=O)=O)C1)C1CC(O)C1 329546354 DKNNHKSDDMMXSU-WHXUTIOJSA-N 305.400 -0.363 30 20 DBED C[C@H]1[C@@H](C)N(/C(O)=N/C[C@H]2CN(C)CCN2C)CC[S@@]1=O 329673606 OBUJCKGJFLQHOM-YWKQUGORSA-N 316.471 -0.013 30 20 DBED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCO[C@@H](CO)C2)CC1 330650855 PPEACRDONOGEOM-CABCVRRESA-N 324.425 -0.628 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@@H](CO)[C@@H]1CCCO1 337157841 QCMONRYQTXYVJE-RYUDHWBXSA-N 321.399 -0.777 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1C[C@H](C)O[C@@H](CO)C1 337193095 UJCKGQJZSIVAAV-NWDGAFQWSA-N 321.399 -0.825 30 20 DBED CN(C(=O)CCn1cc(S(N)(=O)=O)cn1)C1(C#N)CCC1 338366508 HMZNXFLGXQTARI-UHFFFAOYSA-N 311.367 -0.175 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC(C(=O)NC(CC)(CC)C(N)=O)C1 353206641 RZFURLCRJYTLGL-LLVKDONJSA-N 324.425 -0.231 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)N[C@H]2CC[S@](=O)C2)cc1 354000971 KXRWVHKZRXTLGP-QKVFXAPYSA-N 305.359 -0.075 30 20 DBED CNS(=O)(=O)c1ccc(C(=O)N[C@@]2(C#N)CCOC2)cn1 358442918 KBHXXXYLZFAOST-GFCCVEGCSA-N 310.335 -0.598 30 20 DBED C=CCN(CCOC)C(=O)CCn1cc(S(N)(=O)=O)cn1 361076851 UNKRBVAIFOEFTM-UHFFFAOYSA-N 316.383 -0.418 30 20 DBED C#CCOCCC(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 372306200 AXSFOGLQSFBKLD-AWEZNQCLSA-N 323.393 -0.924 30 20 DBED N#CC1(CS(=O)(=O)N2CCO[C@H](C(N)=O)C2)CCCCC1 408229210 OBJUKKKPALIMFR-NSHDSACASA-N 315.395 -0.024 30 20 DBED C[C@H](CN)CNC(=O)C(=O)NCCOc1ccc(C#N)cc1 419458913 CIRQNERJAIKZII-LLVKDONJSA-N 304.350 -0.236 30 20 DBED C[C@@H](Cc1cnn(C)c1)Nc1c(C#N)c(=O)n(C)c(=O)n1C 450839105 ZUQDIXXYMCPFNF-VIFPVBQESA-N 302.338 -0.268 30 20 DBED C#C[C@H]1COCCN1C(=O)C(=O)N1CCC[C@@H](CCC(=O)O)C1 491639763 YQMXITQMGNVQMC-STQMWFEESA-N 322.361 -0.050 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)C[C@@H]2C[C@H]3CC[C@H]2O3)CC1 491752450 ZLAYOHANRNCYDQ-RRFJBIMHSA-N 319.405 -0.162 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1CC[C@H](C(=O)O)[C@@H]1C 514864793 CCVSPNMNTYYCQQ-QWRGUYRKSA-N 319.383 -0.112 30 20 DBED N#Cc1ccc(S(=O)(=O)N[C@H](C(=O)O)[C@H]2CCOC2)o1 558473726 MPYSUKQHOJDLPI-XVKPBYJWSA-N 300.292 -0.081 30 20 DBED C=CCOC[C@H](NS(=O)(=O)c1cnn(CC)c1)C(=O)O 563082014 UNVFIKOOWANBKQ-JTQLQIEISA-N 303.340 -0.163 30 20 DBED C=CCCn1cc(C(=O)N[C@H](C)C(=O)NCCN(C)C)nn1 568222191 JVTLXTIKPYGZQI-LLVKDONJSA-N 308.386 -0.350 30 20 DBED CNS(=O)(=O)NC1CCN(C(=O)CC(C)(C)C#N)CC1 570575636 XOZCGNFKHBWCCS-UHFFFAOYSA-N 302.400 -0.029 30 20 DBED CC#CC[C@H](CO)NC(=O)C(=O)Nc1cc(C(=O)OC)n(C)c1 592319792 VBBLZMJQVDDEJU-SNVBAGLBSA-N 321.333 -0.359 30 20 DBED CCC1(Cn2cc(C(=O)N(CC#N)CC(=O)OC)nn2)COC1 597274794 WXRVMOXIJFROLZ-UHFFFAOYSA-N 321.337 -0.157 30 20 DBED C[C@H](N)[C@@H]1CCN(C(=O)C(=O)N2CCN(CCC#N)CC2)C1 601580171 BGIGCIIRJYECTA-QWHCGFSZSA-N 307.398 -0.760 30 20 DBED C=CCNC(=O)CNC(=O)[C@]1(c2ccccc2)CNC(=O)C1 613293110 ONRQFZNOGSJGDJ-INIZCTEOSA-N 301.346 -0.137 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)c2coc(OC)n2)CC1 623604430 YLMRMVPSFLBLJW-UHFFFAOYSA-N 308.338 -0.257 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)CCCN(C)C(=O)O)CC1 736079351 LGXNMCVEGDLSQR-UHFFFAOYSA-N 324.381 -0.730 30 20 DBED C=C(Cl)COC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 748466683 OKOPADQVWOMGGP-UHFFFAOYSA-N 321.742 -0.312 30 20 DBED C[C@@H]1CC(=NC(=O)c2cc3c(=O)n(C)c(=O)n(C)c3n2C)NO1 765369827 SRWWXBPEEYAVON-SSDOTTSWSA-N 319.321 -0.572 30 20 DBED C=CCS(=O)(=O)CCNC(=O)NCCS(=O)(=O)CC=C 783011974 AAUDACIRBFYCIX-UHFFFAOYSA-N 324.424 -0.513 30 20 DBED COC[C@H](C#N)OC(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 785091960 BLGDJIWMFJHDCC-CXWACVEQSA-N 304.302 -0.125 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)OCc2ncc(C)cn2)C1=O 808511349 CJLKVUZBSTYWHB-UHFFFAOYSA-N 318.289 -0.195 30 20 DBED C#C[C@@H](C)N(C)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 812019853 OKHBVZVLCNSRNX-GFCCVEGCSA-N 316.427 -0.773 30 20 DBED C[C@](C#N)(CC(=O)O)C(=O)N1CCCN(S(C)(=O)=O)CC1 819812434 ZVWZHQAQYIUQKQ-GFCCVEGCSA-N 317.367 -0.515 30 20 DBED O=C1CC[C@](C(=O)N[C@@H]2CCN(O)C2=O)(c2ccccc2)CN1 820137852 SUHVSQCCKYCOLQ-MLGOLLRUSA-N 317.345 -0.059 30 20 DBED C=CCCn1cc(C(=O)O[C@@H](C)C(=O)NCC(=O)OC)nn1 820982706 OLSFQNNIEMFPFT-VIFPVBQESA-N 310.310 -0.311 30 20 DBED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1CCNC1 832397890 HGEJXDVUUQZJRL-JTQLQIEISA-N 322.390 -0.407 30 20 DBED C#CCOc1ccccc1NC(=O)C(=O)N1C[C@@H](O)[C@H](OC)C1 835900119 GNRJAJMTBQHMBP-TZMCWYRMSA-N 318.329 -0.145 30 20 DBED CCn1nc(C)c(CN/C(=N/C)NCCN2CCOCC2)n1 849044516 UBFCODNXBXFTSJ-UHFFFAOYSA-N 309.418 -0.396 30 20 DBED C#CC[C@H](CCOC)NC(=O)N1CCN(C(=O)COC)CC1 859027085 XTCCAABCBRSPDX-CYBMUJFWSA-N 311.382 -0.085 30 20 DBED C#CCN1CCC[C@H](NC(=O)N[C@@H]2CCc3nnnn3CC2)C1 889257096 JRQIHMWNKREPAZ-OLZOCXBDSA-N 317.397 -0.225 30 20 DBED CS(=O)(=O)N1CC(C(=O)NC2(C#N)CCSCC2)C1 901203733 CCZKZUGJALWHRO-UHFFFAOYSA-N 303.409 -0.217 30 20 DBED CN(C)CC#CCNC(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1 913518700 XPRZTQZXIQDQJZ-ZDUSSCGKSA-N 322.390 -0.602 30 20 DBED C=CC(C)(C)C(=O)N1CCO[C@H](CNC(=O)[C@@H]2CCNC2=O)C1 944704703 SWCOCMDBDWLLBW-VXGBXAGGSA-N 323.393 -0.322 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H]2CN(C(=O)Cc3cnc[nH]3)C[C@@H]21 960875454 RHRLIQMEFWIROO-KGYLQXTDSA-N 317.349 -0.450 30 20 DBED CC#CCN1C[C@H]2[C@H](NC(=O)[C@H]3CCCS(=O)(=O)C3)[C@H]2C1 961912583 SCZDVFWZJALWEE-IGQOVBAYSA-N 310.419 -0.119 30 20 DBED CC#CCN1C[C@@H]2C(NC(=O)Cn3nnnc3C(C)C)[C@H]2C1 961989770 YUNVPYMGGKUURV-RYUDHWBXSA-N 302.382 -0.134 30 20 DBED C#CCCN1C[C@H]2[C@H](NC(=O)Cc3c(C)nc(O)nc3O)[C@H]2C1 962127961 HKAZIHJINZUOOZ-IMRBUKKESA-N 316.361 -0.192 30 20 DBED C#CCCN1C[C@@H]2C(NC(=O)Cn3c(C)cc(C)nc3=O)[C@H]2C1 962161040 WLFSUICLGMCIHS-KBPBESRZSA-N 314.389 -0.070 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2[C@@H]3CN(Cc4nnnn4C)C[C@@H]32)nc1 962315679 AWUYMAAMXNTVIQ-JYAVWHMHSA-N 323.360 -0.553 30 20 DBED C=C(Cl)CN1C[C@@H]2C(NC(=O)c3cn(C)c(=O)nc3O)[C@H]2C1 962531047 BQLWKLJMEHFGOI-IUCAKERBSA-N 324.768 -0.102 30 20 DBED C=C1CC(C)(C(=O)N2C[C@@H](C)[C@@H](NC(=O)Cn3ncnn3)C2)C1 966802096 UUSWCZQVJXUERN-NEPJUHHUSA-N 318.381 -0.008 30 20 DBED CCc1nc[nH]c1C(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 969683774 UURDCWHRWWPYRI-OLZOCXBDSA-N 316.361 -0.313 30 20 DBED C[C@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)CS(C)(=O)=O)C2 969805663 KBKFZAQRERLZGC-VWYCJHECSA-N 313.379 -0.608 30 20 DBED C=C(C)C(C)(C)C(=O)N1C[C@H](O)[C@H](NC(=O)Cc2nc[nH]n2)C1 970786479 AGEIXJOXQVWRNV-MNOVXSKESA-N 321.381 -0.363 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)c3ccc(O)nn3)[C@H]2C1 976126225 XYSLUAOPCQZERV-APOZVJGGSA-N 301.306 -0.472 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H]2CCC[C@H](NC(=O)C(N)=O)C2)c1 983565726 SQSRSIUGMWNHGY-UWVGGRQHSA-N 303.322 -0.471 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H](N(C)C(=O)Cn2nccn2)C1 984599430 UMCSXQYJXKCJHY-NWDGAFQWSA-N 304.354 -0.113 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN(C(=O)c2cnsn2)C1 994752904 WJESHLXRGQVAJI-LBPRGKRZSA-N 319.390 -0.424 30 20 DBED C=C[C@@](C)(CC)C(=O)N1CC(NC(=O)C[C@@H]2CC(=O)NC2=O)C1 995307673 ZGSUTYPHFDMSGP-HWPZZCPQSA-N 321.377 -0.032 30 20 DBED Cc1nn[nH]c1C(=O)N1CC(CNC(=O)c2cc(C#N)c[nH]2)C1 1001347788 SCDDLZFQOMHLNB-UHFFFAOYSA-N 313.321 -0.185 30 20 DBED C#CCN1CCC[C@@H](NC(=O)c2nc(O)nc(O)c2OC)C1 1009187173 KBHMSDRWARAFJT-SECBINFHSA-N 306.322 -0.276 30 20 DBED C#CCN1CCC2(CC1)C[C@H]2NC(=O)[C@@H]1CN(C(C)=O)CCO1 1016952904 ILIVCVXOIDYNSN-LSDHHAIUSA-N 319.405 -0.162 30 20 DBED C#CCN1CCC2(CC1)C[C@H]2NC(=O)Cn1nc(C)n(C)c1=O 1016957177 ZYMAZFXCSBQOPN-CYBMUJFWSA-N 317.393 -0.506 30 20 DBED C[C@@H](C#N)C(=O)N1CC=C(CNC(=O)[C@H]2CCC(=O)NC2)CC1 1017560709 LFPQNUFDOYSEQG-AAEUAGOBSA-N 318.377 -0.053 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](NCCN2C(=O)NC(C)(C)C2=O)C1 1018619390 WLTXTGZVZVNFGE-MNOVXSKESA-N 321.381 -0.333 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H](NCc3nncn3C)C2)nn1 1019483497 RJZPBOXOQWARBC-NSHDSACASA-N 316.369 -0.403 30 20 DBED CC#CCN1[C@H]2CC[C@H]1CC(NC(=O)Cn1ncn(C)c1=O)C2 1021305179 RVMVAZXRVBAJTL-KBPBESRZSA-N 317.393 -0.283 30 20 DBED Cc1conc1C(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1025657410 GIEPKCINMXLEQA-VXGBXAGGSA-N 303.318 -0.302 30 20 DBED C#CCN[C@@H]1CC[C@H]2CN(C(=O)c3nccnc3C(N)=O)C[C@H]21 1026415440 HKGTWFYXLBSXFO-QJPTWQEYSA-N 313.361 -0.351 30 20 DBED C#CCN(C)[C@@H]1CCCN(C(=O)[C@H]2CCN(C)S2(=O)=O)C1 1027612147 BKWXHIRSUGRFHC-CHWSQXEVSA-N 313.423 -0.424 30 20 DBED C#CCN1[C@H]2CC[C@H]1CN(C(=O)C1CC3(C1)NC(=O)NC3=O)C2 1029511889 GGGNMWXOTXYXCW-SLMGRZLQSA-N 316.361 -0.717 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN(Cc2ccnn2C)C1 1030462322 QSTJZQNWNGPOSI-HNNXBMFYSA-N 301.394 -0.182 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN(Cc2cnnn2C)C1 1030462430 WTKOTRDNMADCNH-AWEZNQCLSA-N 302.382 -0.787 30 20 DBED CC#CCN1CC[C@H](N(C)C(=O)c2cc(=O)n3[nH]cnc3n2)C1 1033580481 DVHBQBOEXWTFCD-NSHDSACASA-N 314.349 -0.413 30 20 DBED CCN(C(=O)[C@H]1CCc2nnc(O)n2C1)[C@H]1CCN(CC#N)C1 1033878932 VUPKYWVFFGIKLM-RYUDHWBXSA-N 318.381 -0.008 30 20 DBED C=CCCN1CCCC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 1034219645 OVOTZNYHAJHZBE-LBPRGKRZSA-N 320.397 -0.076 30 20 DBED N#CCOc1ccc(CN2C[C@H]3C[C@H]2[C@H]3NC(=O)C(N)=O)cc1 1037563473 DYAPBASEVYFZMH-XBFCOCLRSA-N 314.345 -0.237 30 20 DBED C=CCN1CC[C@H](N2CC[C@@H]2CNC(=O)c2nonc2C)C1=O 1039083473 XWESMYMAMLIGIF-NEPJUHHUSA-N 319.365 -0.031 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@]1(O)CCN(C(=O)c2cocn2)C1 1039579020 CLHXWLZJAYLKBA-CABCVRRESA-N 323.349 -0.305 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)c2ccncn2)C1 1040657409 ZOENOCFBVKWZMK-IINYFYTJSA-N 303.322 -0.671 30 20 DBED C[C@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)c2csnn2)C1 1040766776 SPNJKYRSCCEYGV-PELKAZGASA-N 309.351 -0.609 30 20 DBED Cc1cc(C#N)nc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC3(F)F)C2)n1 1041011275 CBTPFCBAKGOOGT-HBNTYKKESA-N 323.303 -0.022 30 20 DBED Cc1nc(N2C[C@@H](O)[C@H](NC(=O)c3cnn[nH]3)C2)ccc1C#N 1041434445 IAENRGYOZJJPGV-VXGBXAGGSA-N 313.321 -0.641 30 20 DBED Cc1cc(=N[C@H]2C[C@H]3CC[C@H]2N(C(=O)C(N)=O)C3)c(C#N)c[nH]1 1041678099 DCDFYJCAFBBIAC-DDTOSNHZSA-N 313.361 -0.040 30 20 DBED Cc1[nH]ccc1C(=O)NCC1(O)CN(C(=O)CSCC#N)C1 1042424431 DHTBOUSFVSYEPX-UHFFFAOYSA-N 322.390 -0.117 30 20 DBED C[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1NC(=O)[C@H]1C[C@H]1C(N)=O 1042495643 ADUWSBPIMNHUAA-CHWFTXMASA-N 314.349 -0.589 30 20 DBED C=CCN1CC[C@H](N2CC(N(C)C(=O)[C@H]3COC(=O)N3)C2)C1=O 1042675847 AOMHPCQZMAYTND-NEPJUHHUSA-N 322.365 -0.976 30 20 DBED CC#CCN1CC(N(C)C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 1042719228 KHVWQHNNYRQVFR-GFCCVEGCSA-N 315.377 -0.072 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)C(=O)C(C)(C)C)C1 1043040693 WDPWACSTYDLUQR-LLVKDONJSA-N 324.377 -0.671 30 20 DBED C=CCCOCC(=O)NCC1(O)CN(C(=O)c2cc(C)no2)C1 1043564675 HVMIHYDZFZGHMR-UHFFFAOYSA-N 323.349 -0.121 30 20 DBED Cn1cnc(C(=O)N[C@@H]2CN(c3ccc(C#N)cn3)C[C@@H]2O)c1 1043911898 VMVFPDLRSIWSQA-YPMHNXCESA-N 312.333 -0.334 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)[C@@]3(F)CCOC3)C2)nn1 1044426109 JVPNFXGAOUKHMG-UHIISALHSA-N 321.312 -0.857 30 20 DBED CC#CCCCC(=O)NCC1(O)CN(C(=O)Cn2ccnc2)C1 1045007060 NNJPDWBMSIUGPA-UHFFFAOYSA-N 318.377 -0.234 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)c2c[nH]nc2C2CC2)C1 1045546695 PRONYOSMXQLMQJ-VIFPVBQESA-N 317.349 -0.250 30 20 DBED C=CCN1CC[C@H](N2CCN(C(=O)Cn3nccn3)CC2)C1 1046034556 UZLYISUYNVQCGE-AWEZNQCLSA-N 304.398 -0.317 30 20 DBED C=C(C)CN1CC[C@H](N2CCN(C(=O)[C@@H]3CNC(=O)N3)CC2)C1 1046059114 ZJBKUCAVMDXTFH-KBPBESRZSA-N 321.425 -0.538 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccn(CC(F)F)n2)C1 1047419547 NSKUHLRZZJOJTR-RYUDHWBXSA-N 312.320 -0.102 30 20 DBED CN(C)c1ccc(C(=O)N(C)[C@H]2CN(CC#N)C[C@@H]2O)cn1 1047438660 PUGLMXCSQFGAMT-STQMWFEESA-N 303.366 -0.212 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)Cn2c(C)csc2=O)C1 1047624256 JZPWBQOWEXPQOM-STQMWFEESA-N 323.418 -0.255 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2ccoc2)C1 1048226672 QMDZEFCHZBHPAN-XBFCOCLRSA-N 320.345 -0.038 30 20 DBED C#CCCN1CC[C@H]2[C@@H]1CCCN2C(=O)CN1CCOCC1=O 1049521193 GXGIROCBZNPKTL-GJZGRUSLSA-N 319.405 -0.066 30 20 DBED Cn1cc(C(=O)N2CC3(CCN(CC#N)CC3)C2)c(O)nc1=O 1050752674 PPOXZILXAXLWPI-UHFFFAOYSA-N 317.349 -0.453 30 20 DBED C=CCN1CCN([C@H]2CCN(C(=O)[C@@H]3CC(=O)N(C)C3)C2)CC1 1052035431 IWNWYCGRWMGJFA-CABCVRRESA-N 320.437 -0.131 30 20 DBED C=CCN1CCC[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)CC1 1052761101 MNAABLYSKNQURQ-LBPRGKRZSA-N 320.393 -0.146 30 20 DBED C=CCN1CC2(C1)CN(C(=O)[C@@H]1CCCS1(=O)=O)CCO2 1053538570 FOWUVIXSHDPNLF-LBPRGKRZSA-N 314.407 -0.337 30 20 DBED C=C(C)CCN1CC2(CC[C@@H](CNC(=O)[C@H]3CNC(=O)N3)O2)C1 1053655603 NPQBQEDDFRHWMI-QWHCGFSZSA-N 322.409 -0.016 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)c3noc4c3COCC4)CO2)C1 1054013977 FLLVZRSVWMIGJN-JTQLQIEISA-N 318.333 -0.156 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)[C@@H]3CCC(=O)N(C)C3)CO2)C1 1054017749 KSHSVJLHGXVXGC-ZIAGYGMSSA-N 319.405 -0.162 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)c3ccc(C(N)=O)nc3)CO2)C1 1054023543 BQDYXPQILILFAG-LLVKDONJSA-N 315.333 -0.723 30 20 DBED CC(=O)NCC(=O)N1C[C@@H]2CN(C(=O)C#CC(C)C)C[C@@H]2C1 1055132191 DESZLNGFLLYRCG-OKILXGFUSA-N 305.378 -0.301 30 20 DBED N#Cc1nccc(N2CCN(C(=O)C[C@H]3CCC(=O)N3)CC2)n1 1055849066 NKKQSFMVXOLWJB-LLVKDONJSA-N 314.349 -0.334 30 20 DBED Cc1nc(N2C[C@H]3C(NC(=O)Cn4cnnn4)[C@@H]3C2)ccc1C#N 1056130071 YNCYQAUWNSCBTJ-VXGBXAGGSA-N 324.348 -0.501 30 20 DBED Cn1ncc(C(=O)N2CC[C@@H](N=c3cc[nH]c(C#N)n3)C2)c1N 1056610215 NPKIAMJPXNMRLX-SECBINFHSA-N 312.337 -0.588 30 20 DBED Cc1cc(C#N)nc(N(C)[C@H]2CCN(C(=O)CC(N)=O)C2)n1 1056878182 PIGCAYOVMDUWKN-NSHDSACASA-N 302.338 -0.431 30 20 DBED N#CCSCC(=O)N(CCO)CCNC(=O)c1cnccn1 1057027102 ZAWHAQPUALDHMQ-UHFFFAOYSA-N 323.378 -0.716 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)[C@@H]1CCNC(=O)C1 1057336132 VVXJKAWFENVDDM-CYBMUJFWSA-N 323.393 -0.891 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)C1(CN(C)C)CC1 1057522050 UHHGGQFRCBZSJT-UHFFFAOYSA-N 323.437 -0.075 30 20 DBED Cc1ncc(C(=O)NCCN(CCO)C(=O)C#CC2CC2)[nH]1 1057531769 YPUTXMWRTBNZKV-UHFFFAOYSA-N 304.350 -0.318 30 20 DBED CC(C)(C)C(=O)C(=O)NCCN(CCO)C(=O)C#CC1CC1 1057531778 ZBTPOIWRYCYVCB-UHFFFAOYSA-N 308.378 -0.048 30 20 DBED C#CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)[C@H]1CC1(F)F 1057582885 BPCHEFYEQZECAE-WDEREUQCSA-N 318.320 -0.383 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 1057968657 IGEUUEZYFDNPID-IJLUTSLNSA-N 319.365 -0.390 30 20 DBED CC(=O)N1CC(C(=O)N2CC[C@H](Nc3ccc(C#N)nn3)C2)C1 1058856203 XCXAUUBNUDENEZ-ZDUSSCGKSA-N 314.349 -0.161 30 20 DBED Cc1cc(C#N)nc(N[C@H]2CCN(C(=O)c3nnn(C)n3)C2)n1 1059030517 NXAMCJWODIXRAJ-VIFPVBQESA-N 313.325 -0.493 30 20 DBED C[C@@H](C#N)C(=O)NCC[C@H]1CCN(C(=O)Cn2cnnc2O)C1 1059506901 JXODTGMVZGPFTH-QWRGUYRKSA-N 320.353 -0.502 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCOC[C@H]1CNC(=O)c1cocn1 1061419737 OUVZTGHBWLYQSR-ABAIWWIYSA-N 323.349 -0.041 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H]1COCCN1C(=O)/C(C)=C/C 1061514979 HDZCMYDKRAYLIE-YFTXEMMHSA-N 321.377 -0.564 30 20 DBED CS(=O)(=O)CC(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(C#N)n1 1062448145 RTNHNXNHUHQVQI-QWRGUYRKSA-N 321.362 -0.818 30 20 DBED N#Cc1cnccc1N1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[C@H]1C(N)=O 1062580295 OOWNCGCKTVIRTA-RVMXOQNASA-N 311.345 -0.136 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)[C@@H](C)S(C)(=O)=O)CCC1 1063563227 JCVIWOKNWXENAK-VHSXEESVSA-N 315.395 -0.266 30 20 DBED N#Cc1ccc(N2CCO[C@H](CNC(=O)c3nc[nH]n3)C2)nn1 1063638991 JJPWFNDRUZDRSN-SNVBAGLBSA-N 314.309 -0.898 30 20 DBED Cc1nc(CC(=O)N[C@H]2[C@H]3C[C@H]2N(c2ccc(C#N)nn2)C3)n[nH]1 1064250176 UDBVGVWJOBEMQF-ISOBSLSZSA-N 324.348 -0.289 30 20 DBED CC[C@H]1CN(C(=O)CC(N)=O)CC[C@H]1N=c1cc[nH]c(C#N)n1 1064384312 IPOVTBJHVLJPRH-WDEREUQCSA-N 316.365 -0.315 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H]1CN(C(=O)CSC)CCO1 1064820913 GTQDAEUDWHIAEZ-VXGBXAGGSA-N 314.407 -0.269 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CN(C(=O)Cc2ccon2)CCO1 1064997188 QHVSKLRQJPZBPC-PWSUYJOCSA-N 306.322 -0.280 30 20 DBED Cc1c[nH]c(C(=O)N2CCO[C@@H](CNC(=O)[C@@H](C)C#N)C2)n1 1065202352 SUBVNNPPHAONPM-ONGXEEELSA-N 305.338 -0.165 30 20 DBED C[C@@]1(NC(=O)[C@@H]2CCC(=O)N2)CCN(c2cncc(C#N)n2)C1 1065268440 BANJKNSZZQHOPA-XHDPSFHLSA-N 314.349 -0.288 30 20 DBED C[C@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1Nc1cnc(C#N)cn1 1067186906 KDBGQZIQEUINOX-GXSJLCMTSA-N 314.349 -0.127 30 20 DBED C=CCOCC(=O)N1CC2(C1)CN(C(=O)[C@@H]1CCOC1)CCO2 1068332447 CNVYSIPHBZIYDT-CYBMUJFWSA-N 324.377 -0.335 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)c2cn[nH]c2)CCOCC1 1070008541 LBMJSJDVOFQTMC-SNVBAGLBSA-N 305.338 -0.035 30 20 DBED CC#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)Cc2ncc[nH]2)C1 1070062887 IZTSKTYBWJQKRA-OLZOCXBDSA-N 313.365 -0.391 30 20 DBED C#CCNC(=O)CC(=O)NC1(CNC(=O)C(C)C)CCOCC1 1070083126 YOEPSHZDINTROR-UHFFFAOYSA-N 323.393 -0.437 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2ccnc(C)n2)C[C@@H]1n1ccnn1 1070329174 LHMWOQCPHPVEFV-KGLIPLIRSA-N 311.349 -0.335 30 20 DBED C=CCOCC(=O)N1CCC[C@@H](NC(=O)C(=O)NCC2CC2)C1 1070552114 DMJGQVRVRLLXTB-CYBMUJFWSA-N 323.393 -0.178 30 20 DBED C=CCN1C[C@H](NC(=O)CN2CCN(C)C(=O)C2)CC[C@H]1C 1071621938 DSVANJWAYPQFLP-ZIAGYGMSSA-N 308.426 -0.085 30 20 DBED C=CCCC(=O)N1C[C@H](C)[C@H](NC(=O)Cn2ncn(C)c2=O)C1 1071784532 GALZFZUGTKYXIU-NWDGAFQWSA-N 321.381 -0.489 30 20 DBED C=CCOCC(=O)N[C@H]1CN(C(=O)COCCOC)C[C@@H]1C 1071818999 LHIDTTFSUHIRIR-STQMWFEESA-N 314.382 -0.185 30 20 DBED C=CCOCC(=O)N[C@H]1CN(C(=O)C2CN(C(C)=O)C2)C[C@H]1C 1071978973 OECVGVVSXCPJCC-RISCZKNCSA-N 323.393 -0.370 30 20 DBED C#CCN1C[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)CC[C@H]1C 1071992352 KOJBMYACHZCFTB-MNOVXSKESA-N 314.349 -0.367 30 20 DBED C=CCN1CCCO[C@H](CNC(=O)c2cn(C)c(=O)n2C)C1 1073904578 ISRBJFGLFJXAEA-GFCCVEGCSA-N 308.382 -0.270 30 20 DBED CC#CCN1CCO[C@H]2CCN(C(=O)CN3CCCC3=O)C[C@@H]21 1074161002 YDHHTNPRFQFDPK-GJZGRUSLSA-N 319.405 -0.066 30 20 DBED Cc1c(C(=O)N2CC[C@H]3OCCN(CC#N)[C@H]3C2)nnn1C 1074196060 FXVYIQWQFSYLDM-NWDGAFQWSA-N 304.354 -0.438 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H](C)CCNC(=O)Cn1cnnn1 1075557731 KATFRUUYXLODNN-GWCFXTLKSA-N 310.358 -0.989 30 20 DBED C[C@@H](CCNC(=O)c1c[nH]c(C#N)c1)NC(=O)Cn1ncnn1 1076216880 RZFUSDMRBBOJPB-VIFPVBQESA-N 316.325 -0.802 30 20 DBED C=CCN1C[C@@H]2CCN(C(=O)CN3C(=O)C(=O)N(C)C3=O)[C@@H]2C1 1076319432 RKMKCQGIDCKKQP-WDEREUQCSA-N 320.349 -0.874 30 20 DBED C[C@@H](CCNC(=O)Cn1nccn1)NC(=O)c1ccc(C#N)[nH]1 1076694797 ZHVFAHBTVPGCRS-JTQLQIEISA-N 315.337 -0.197 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2sccc2-n2ccnn2)C1 1077195957 WYOZLIXKPLDEDB-ZYHUDNBSSA-N 317.374 -0.263 30 20 DBED C[C@@H](CCNC(=O)[C@@H](C)C#N)NC(=O)c1ccc2nnnn2c1 1078133820 WJLVSDXITDSSDI-UWVGGRQHSA-N 315.337 -0.091 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)C2CCN(C(C)=O)CC2)C1 1078153914 KFTJARWZQZZUJX-HUUCEWRRSA-N 307.394 -0.571 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1nnn(C)n1 1078538160 NZOXBQOJHSIRTI-AXFHLTTASA-N 322.369 -0.574 30 20 DBED C=CCN[C@H]1C[C@H]2CC[C@H]1N(C(=O)CN1C(=O)CNC1=O)C2 1079102314 LXFFMITYMCZKDO-GRYCIOLGSA-N 306.366 -0.307 30 20 DBED C=CCOCC(=O)N(CC)C1CN(C(=O)c2cnn(C)n2)C1 1079490414 NUFSSAZFQTUNKG-UHFFFAOYSA-N 307.354 -0.309 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)C(=O)NCC2CC2)C[C@@H]1O 1081335742 PDCODHCFMLJVFV-STQMWFEESA-N 323.393 -0.586 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2cc(C)[nH]n2)C[C@H]1O 1081344494 QQTIVNYCPWNILL-WCQYABFASA-N 322.365 -0.530 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1O 1081439689 SRPCFIXVDBAJCK-MNOVXSKESA-N 305.338 -0.843 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CN(C[C@H](C)O)C[C@H]2OC)nn1 1082213237 RFYQKJQATSIFCG-DMDPSCGWSA-N 309.370 -0.726 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1c2c(nn1C)CCC2 1082323368 RHYQAAABIGFAKR-CHWSQXEVSA-N 303.366 -0.139 30 20 DBED C=CCN1CC[C@H](N[C@@H]2CN(C(=O)c3nc[nH]n3)C[C@H]2C)C1=O 1082815099 OPKLRULVFGESHC-GRYCIOLGSA-N 318.381 -0.358 30 20 DBED C[C@@H](C(N)=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1ccc(C#N)[nH]1 1083054299 CMCJZOFDOCAZQF-TVYUQYBPSA-N 317.349 -0.715 30 20 DBED CC(C)N1CCO[C@H](C(=O)N2CCO[C@@H]3CN(CC#N)C[C@@H]32)C1 1083174385 GNADPVBDAFHCKK-ZNMIVQPWSA-N 322.409 -0.469 30 20 DBED COc1c(C(=O)N2CCO[C@@H]3CN(CC#N)C[C@@H]32)cnn1C 1083260001 CFPOIMVGXLMJPF-NWDGAFQWSA-N 305.338 -0.523 30 20 DBED CN(C[C@@H]1CCN1CC#N)C(=O)c1cn([C@@H]2CCOC2)nn1 1085916158 SLCGMYBOYPMQFF-NWDGAFQWSA-N 304.354 -0.091 30 20 DBED N#CCN[C@@H]1CCCCCN(C(=O)CN2CC(=O)NC2=O)C1 1088400617 UFJGOGONMZNZCW-LLVKDONJSA-N 307.354 -0.577 30 20 DBED C[C@H](C[C@@H](C)NC(=O)Cn1cnnn1)N=c1cc[nH]c(C#N)n1 1089215482 QMJNGIZOBDUZTO-NXEZZACHSA-N 315.341 -0.848 30 20 DBED C#CCN1CC[C@H](NC(=O)c2ncccc2NC(C)=O)[C@H](O)C1 1090317248 YQIDRNAMFKOBCW-GXTWGEPZSA-N 316.361 -0.162 30 20 DBED CCO[C@@H](CC)C(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1O 1090378062 QYFRWTNAOPDDOL-UPJWGTAASA-N 319.365 -0.171 30 20 DBED C=CCN1CC[C@H](NC(=O)c2ccoc2CC(N)=O)[C@H](O)C1 1090523259 PASHBXJSZJGPEG-NWDGAFQWSA-N 307.350 -0.342 30 20 DBED N#Cc1cc(CN2CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C2)ccc1F 1090530884 FZCNAUNCTRWLCK-OLZOCXBDSA-N 320.324 -0.766 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CN(c2ncnc3c2nnn3C)C[C@H]1C 1090685882 JDEDWGBPDZWYPL-IVZWLZJFSA-N 314.353 -0.141 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2ccc(N(C)C)nn2)[C@@H](O)C1 1090734268 JXWKIBPNCBTCCH-JSGCOSHPSA-N 317.393 -0.269 30 20 DBED C#CCOCCC(=O)N1CCO[C@@H]2CN(c3ncccn3)C[C@@H]21 1091056329 LVGODVFIUYBKGH-UONOGXRCSA-N 316.361 -0.068 30 20 DBED Cc1nn[nH]c1C(=O)N[C@@H]1CC2(CN(CC#N)C2)n2ccnc21 1092387511 XRDAEXMETKCCEJ-SNVBAGLBSA-N 312.337 -0.281 30 20 DBED Cc1cc(=NCCNC(=O)C[C@H]2CCNC2=O)c(C#N)c[nH]1 1093921060 HHWJZOPQUKUSJM-LLVKDONJSA-N 301.350 -0.262 30 20 DBED N#CCN1CCN(C(=O)c2ccccn2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094601154 FJPYFADGEXVWOY-QWHCGFSZSA-N 320.374 -0.471 30 20 DBED CN(CCCNC(=O)CN1CCOCC1)c1nccnc1C#N 1095525985 RAIZMEDBOGVZMT-UHFFFAOYSA-N 318.381 -0.377 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H]1C[C@H](OC)CN1C(C)=O 1095821389 ILWHBKQYCWNNQV-OLMNGRFOSA-N 319.405 -0.023 30 20 DBED C[C@@H](C(=O)N[C@H]1C[C@@H](Nc2cnc(C#N)cn2)C1)S(C)(=O)=O 1097265089 RZPFOTNSVHNLGK-LPEHRKFASA-N 323.378 -0.160 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@H](C)Nc1ccc2nnnn2n1 1097794847 TYNPPUDAWHXRDZ-ZANVPECISA-N 305.342 -0.237 30 20 DBED C[C@H](CNC(=O)C[C@@H]1CCC(=O)N1C)N=c1cc[nH]c(C#N)n1 1098184890 IHUQDGKPOAUTLO-MNOVXSKESA-N 316.365 -0.302 30 20 DBED C[C@@H]1CN(C(=O)Cc2nc[nH]n2)CC2(CCN(CC#N)CC2)O1 1098653628 OJSZQSYMFQNCIV-GFCCVEGCSA-N 318.381 -0.047 30 20 DBED CN(C)CCC(=O)N1CC[C@H](n2cc(CNCC#N)nn2)C1 1098723006 SUEWWJVSMJPVDN-ZDUSSCGKSA-N 305.386 -0.384 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@H]2CN(C)CCO2)C[C@H]1C(F)(F)F 1099231257 ATOZXABHHKOEDO-IJLUTSLNSA-N 319.327 -0.071 30 20 DBED CC1(C)CC[C@@H](CNC(=O)CN2C(=O)CNC2=O)N(CC#N)C1 1099328964 JNXQFGUCQPBADV-NSHDSACASA-N 321.381 -0.331 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)[C@@H]2CCCN2C)C1 1100186043 XJUJBZWUOAEPRX-RUXDESIVSA-N 306.410 -0.686 30 20 DBED N#Cc1cncc(N2CCC[C@@H]2CNC(=O)Cn2ncnn2)n1 1100868500 YKDHFOPUCGIVMJ-LLVKDONJSA-N 313.325 -0.880 30 20 DBED CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CCN(c2ccc(C#N)nn2)C1 1100921668 KZMUDQGRSJBGDY-JQWIXIFHSA-N 316.365 -0.185 30 20 DBED C#CCCNC1CC(CNC(=O)CN2C(=O)CN(C)C2=O)C1 1100960721 PUPJEFHBFSYCMI-UHFFFAOYSA-N 306.366 -0.612 30 20 DBED C[C@H](CC(N)=O)C(=O)NCCN(c1ccc(C#N)nn1)C1CC1 1101431053 XUMNJLIORJNJFA-SNVBAGLBSA-N 316.365 -0.055 30 20 DBED CNC(=O)NCC(=O)NCCN(c1ccc(C#N)nn1)C1CC1 1101461382 YWIWBJHJHAWTJP-UHFFFAOYSA-N 317.353 -0.638 30 20 DBED C#CCN1C[C@@H](C)[C@H](CNC(=O)CCc2nnc(O)nc2O)C1 1102119336 HEJVDMQUNHYYQC-GHMZBOCLSA-N 319.365 -0.467 30 20 DBED CNC(=O)CC(=O)N(C)[C@@H]1CCN(c2ccnc(C#N)n2)C1 1102698191 XMLKWYYDIKKVLH-SNVBAGLBSA-N 302.338 -0.479 30 20 DBED CNC(=O)CC(=O)N[C@H]1CCCCN(c2ccnc(C#N)n2)C1 1102854492 RIVMINZDZITYCE-NSHDSACASA-N 316.365 -0.041 30 20 DBED C=CCOCC(=O)NC[C@H](C)CNc1nccn2nnnc12 1103900567 SWOBXYNNKGEATO-JTQLQIEISA-N 305.342 -0.114 30 20 DBED CCNC(=O)CC(=O)NC[C@@H](N=c1cc[nH]c(C#N)n1)C(C)C 1105157167 ZATBQNVTTIIZAY-LLVKDONJSA-N 318.381 -0.151 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H](O)CNc1cc(C)nc(CO)n1 1105970528 JACBZAYZXKOKRX-RYUDHWBXSA-N 322.365 -0.795 30 20 DBED N#Cc1cncc(NC[C@H](O)CNC(=O)c2cnnc(O)c2)n1 1105992845 AYPZSUTXVPVKGO-JTQLQIEISA-N 315.293 -0.953 30 20 DBED Cc1nc(NC[C@@H](O)CNC(=O)C(C)(C)C(N)=O)ccc1C#N 1105997641 XXRDBKYLNFGSCH-LLVKDONJSA-N 319.365 -0.338 30 20 DBED N#Cc1nccnc1NC[C@@H](O)CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 1106110678 WSWDTXVUSLNELS-UZWSLXQKSA-N 317.349 -0.195 30 20 DBED N#Cc1nc(=NC[C@@H](O)CNC(=O)[C@H](F)C(F)(F)F)cc[nH]1 1106142027 KCHNASUOYMLCGH-MUWHJKNJSA-N 321.234 -0.440 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)c1ccc2nnnn2c1 1108009022 BCRDHIZLUKIEFF-SECBINFHSA-N 323.320 -0.562 30 20 DBED C[C@H](CNc1cnc(C#N)cn1)NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 1108105735 PROHNFDTRJLHPJ-DVVUODLYSA-N 318.337 -0.702 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCN(CC)[C@H]2CS(=O)(=O)C[C@H]21 1108490859 CIWXLVZXZAIVLY-RWMBFGLXSA-N 316.423 -0.093 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H](C)CNc1ccc2nnnn2n1 1108530054 AXEXTGPQPASAEZ-UWVGGRQHSA-N 303.326 -0.526 30 20 DBED C[C@@H](CNc1ncccc1C#N)NC(=O)CN1CCOCC1=O 1108753711 ITTUVVXLLRZSBO-NSHDSACASA-N 317.349 -0.271 30 20 DBED C[C@H](CN(C)c1ccnc(C#N)n1)NC(=O)CCn1ccnn1 1108917740 NDWDRVVOYJUQEB-LLVKDONJSA-N 314.353 -0.029 30 20 DBED C[C@H](CN(C)c1ccnc(C#N)n1)NC(=O)[C@H]1CCCC(=O)N1 1109131867 SVGBXFDNBWWQFT-GHMZBOCLSA-N 316.365 -0.042 30 20 DBED CCCOCC(=O)NC[C@]1(O)CCN(c2ccc(C#N)nn2)C1 1111037820 LGJAYYAYGVPLAG-OAHLLOKOSA-N 319.365 -0.168 30 20 DBED CN(C)CCC(=O)N(CCO)CCN=c1cc[nH]cc1C#N 1111553575 LVXUFMUYQRVGMQ-UHFFFAOYSA-N 305.382 -0.440 30 20 DBED C=CCOCC(=O)N1C[C@@H](NCC(=O)NC)[C@H](C(F)(F)F)C1 1112069514 BHPKRLOBVXPWDF-NXEZZACHSA-N 323.315 -0.086 30 20 DBED C=CCNC(=O)[C@H](C)NC[C@]12CCC[C@H]1CN(C(=O)C(N)=O)C2 1112521122 OPVFUAVJQAPUCL-MKBNYLNASA-N 322.409 -0.619 30 20 DBED C[C@H](NC(=O)CS(C)(=O)=O)[C@H](C)Nc1ccc(C#N)nn1 1112925411 FMCOIWGHZGWRQP-IUCAKERBSA-N 311.367 -0.302 30 20 DBED C=CCC[C@@H](C)N1CCN(C(=O)CNC(=O)CNC(C)=O)CC1 1113029988 FPBLILBHVYFUOU-CYBMUJFWSA-N 324.425 -0.262 30 20 DBED C[C@H](NC(=O)C1CS(=O)(=O)C1)[C@@H](C)N=c1cc[nH]cc1C#N 1113183889 TVEGYWGAQJBGGC-ZJUUUORDSA-N 322.390 -0.275 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)c2ccn(C)n2)CC1 1113631802 MADPNLAAKMUFPC-GFCCVEGCSA-N 303.366 -0.684 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)CSCC#N)[C@H]2C1 1113890934 JPBZBAIKNYKOMY-YABSGUDNSA-N 306.391 -0.961 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3scnc3C)[C@H]2C1 1113912934 DHUZCDJZGKUJQH-QWRGUYRKSA-N 318.402 -0.139 30 20 DBED CC(C)COCCC(=O)NC1[C@H]2CN(CC(=O)NCC#N)C[C@H]12 1113931337 BBPONEHBSKJGPG-STQMWFEESA-N 322.409 -0.265 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)CNC(=O)CC)[C@@H]2C1 1114059964 DJWUIAKQDABPFV-QJPTWQEYSA-N 322.409 -0.750 30 20 DBED C=CCOCCCC(=O)NC1[C@@H]2CN(Cc3nnn(C)n3)C[C@@H]12 1114109687 XZLKUGYSMFKYDK-VXGBXAGGSA-N 320.397 -0.261 30 20 DBED CN(C)CCCC(=O)NC1[C@H]2CN(CC(=O)NCC#N)C[C@H]12 1114743332 HBQQVYYUKAWDFS-RYUDHWBXSA-N 307.398 -0.986 30 20 DBED C#CCCN1C[C@H]2C(NC(=O)CNC(=O)C3CCOCC3)[C@@H]2C1 1114988322 CUURMIKHGKVYNY-ZIAGYGMSSA-N 319.405 -0.401 30 20 DBED CCS(=O)(=O)CCNC(=O)C(=O)N1CC[C@](F)(C#N)C1 1117259488 SXWDWZYDLJBJNW-NSHDSACASA-N 305.331 -0.999 30 20 DBED CCOC(=O)[C@H]1CCCN(C(=O)C(=O)N2CCO[C@@H](C#N)C2)C1 1117819369 YJRNOWDKZHZWHV-RYUDHWBXSA-N 323.349 -0.461 30 20 DBED C#CCSCCNC(=O)C(=O)N[C@@H]1CC[C@@H]2CNC[C@H]2C1 1117978615 MPWMHPZJOZYELR-JHJVBQTASA-N 309.435 -0.027 30 20 DBED Cc1cc(C#N)nc(N[C@H](CO)CNC(=O)c2cn[nH]c2)n1 1121099427 HDUQDDJXXCPJNP-NSHDSACASA-N 301.310 -0.417 30 20 DBED Cc1cnccc1C(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1 1121521339 XNMBUYRPCZVNIM-LLVKDONJSA-N 312.333 -0.324 30 20 DBED CCNC(=O)CC(=O)N1CC[C@H](N=c2cc[nH]c(C#N)n2)[C@H]1C 1122995562 BMEMBSJIYCGEQI-MNOVXSKESA-N 316.365 -0.302 30 20 DBED CCCN(C)CC(=O)N(C)C[C@H](O)CNc1nccnc1C#N 1124441279 DFNTUXMUSULLAY-GFCCVEGCSA-N 320.397 -0.079 30 20 DBED CN(C(=O)CCCC(N)=O)C1CC(N=c2cc[nH]c(C#N)n2)C1 1126967889 OMKNPPCBBIKMOV-UHFFFAOYSA-N 316.365 -0.173 30 20 DBED C=C(C)CN(CC)C(=O)[C@@H](C)NCCNC(=O)Cn1nccn1 1128277746 BBFXOFGJSINRNU-CYBMUJFWSA-N 322.413 -0.203 30 20 DBED N#Cc1ccc(CNCCNC(=O)C[C@@H]2NC(=O)NC2=O)cc1 1129743126 HPUHEJGZUKMXJC-LBPRGKRZSA-N 315.333 -0.638 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)Cc1ccc(F)cn1 1130398219 IMINYUFOJWGXBJ-NSHDSACASA-N 306.341 -0.393 30 20 DBED C#CCN1CC[C@]2(C1)CN(C(=O)CNC(=O)OC)C[C@@H](C)O2 1131637855 CSMLCEWVGIGIMS-DOMZBBRYSA-N 309.366 -0.333 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)c1coc(C(N)=O)c1 1131786386 PSXHEQPZFPJOBA-SECBINFHSA-N 308.338 -0.611 30 20 DBED C#CCN1C[C@@H](NC(=O)CCS(=O)(=O)N(C)C)CC[C@H]1C 1132503964 FJYFBHZIHOLVHF-OLZOCXBDSA-N 315.439 -0.130 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)C[C@H](C)NCc1ncccn1 1134131320 UTONFCIJGOXETD-QWHCGFSZSA-N 317.393 -0.011 30 20 DBED C#CCN[C@H](C)C[C@H](C)NC(=O)CCc1nnc(O)nc1O 1134864345 VIRAFYHCJYDDQN-ZJUUUORDSA-N 307.354 -0.279 30 20 DBED C=CCN1CCCO[C@H](CNC(=O)CC[C@@H]2NC(=O)NC2=O)C1 1150684864 CCWCGFUJLXNTEY-NEPJUHHUSA-N 324.381 -0.632 30 20 DBED CCN(CCNS(=O)(=O)CC)[C@H](C)CNC(=O)[C@H](C)C#N 1152413342 NBOQRCXNPVDSRM-VXGBXAGGSA-N 318.443 -0.088 30 20 DBED C#CCN(CC)[C@H](C)CNC(=O)CN1CCCS1(=O)=O 1153727869 GVZRQOBYKBQYAT-GFCCVEGCSA-N 301.412 -0.518 30 20 DBED N#CCSCC(=O)NCCCNC[C@@H]1CCS(=O)(=O)C1 1154814269 FIKVALSYWYAPBF-NSHDSACASA-N 319.452 -0.226 30 20 DBED C=C[C@](C)(O)CC(=O)NCCCNCCN(C)S(C)(=O)=O 1157190068 ZKOXCNGJSPTRQL-ZDUSSCGKSA-N 321.443 -0.699 30 20 DBED COCC(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1CN(C)CC#N 1157999671 QEIGNIDGCTZMTP-QWHCGFSZSA-N 310.398 -0.026 30 20 DBED C#CCNC(=O)CNCC1(CCNC(=O)Cc2cc[nH]n2)CC1 1163926530 VGUIPBHDFGPRLF-UHFFFAOYSA-N 317.393 -0.422 30 20 DBED C=CCNC(=O)CNCCCC[C@H](C)NC(=O)Cn1ncnn1 1170797266 XYXNHNHPWOOATE-LBPRGKRZSA-N 323.401 -0.760 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)[C@H](O)C(C)C)[C@H]1C 1178615588 NMZYJJIELNDDPE-ZOBORPQBSA-N 309.410 -0.280 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)CN(C)C(C)C)[C@H]1C 1180222585 QBRROFXEJAFLCM-KBPBESRZSA-N 308.426 -0.345 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CCNC(=O)C2)C1 1181988595 CXYIEGKKEHVMMF-NWDGAFQWSA-N 308.382 -0.995 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)c2cc3n(n2)CCO3)C1 1183304232 IZTLZKIMSPGJPQ-LLVKDONJSA-N 319.365 -0.618 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 1185447220 YANJSKBXMWHTAY-UKRRQHHQSA-N 308.426 -0.488 30 20 DBED CCc1ncoc1C(=O)N1CC[C@@H](NCC(=O)NCC#N)C1 1185538728 CLAHUBRASXTUQY-SNVBAGLBSA-N 305.338 -0.319 30 20 DBED N#CCNC[C@H]1CN(C(=O)[C@H]2CCC(=O)N2)CC12CCOCC2 1186301455 VKEMVBHVVJKLIO-QWHCGFSZSA-N 320.393 -0.367 30 20 DBED CCOCCCC(=O)N1CC[C@H](N(C)CC(=O)NCC#N)C1 1189031052 HGYAZJMXOWFHLA-ZDUSSCGKSA-N 310.398 -0.024 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@H]1CCN(C(=O)Cc2cc[nH]n2)C1 1189507466 AVTVWKSPMSRZCQ-OCCSQVGLSA-N 317.393 -0.377 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)CC2CCCC2)C1 1190749972 CATNKPVBPXISFM-NWANDNLSSA-N 321.421 -0.134 30 20 DBED COCC#CCN(C)[C@H]1CCN(C(=O)c2cnnc(O)c2)C1 1190799732 FAVPOSPIKLJQNB-ZDUSSCGKSA-N 304.350 -0.022 30 20 DBED CC#CCN(C)[C@H]1CCN(C(=O)[C@H](CCC)S(N)(=O)=O)C1 1191553027 YJEWYQKFUHEUAI-STQMWFEESA-N 315.439 0.000 30 20 DBED NC(=O)CC(=O)N[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1O 1191967289 HUHWMGXQLMBJNI-ZIAGYGMSSA-N 301.346 -0.925 30 20 DBED CCN(CC)C(=O)CN1C[C@@H](O)[C@H](NC(=O)C#CC2CC2)C1 1192770591 MRQMLEWGNPIORY-ZIAGYGMSSA-N 307.394 -0.571 30 20 DBED Cc1nc(C)n(CCN2C[C@@H](O)[C@H](NC(=O)C#CC3CC3)C2)n1 1192778950 JUBDBNOHZWNRHS-HUUCEWRRSA-N 317.393 -0.530 30 20 DBED C=C(Cl)C(C)(C)C(=O)N[C@@H]1CN([C@H](C)C(N)=O)C[C@H]1O 1193313003 VYYYYKPLLVXTGB-SZEHBUNVSA-N 303.790 -0.200 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)C23CCN(CC2)C3)C1 1193469490 RGBRNRRTGXKFRL-AWEZNQCLSA-N 320.437 -0.083 30 20 DBED C=CCNC(=O)[C@H](C)NC1CCN(C(=O)c2cnnn2C)CC1 1200349250 KBEUBUXURSKXNP-NSHDSACASA-N 320.397 -0.300 30 20 DBED CC#CCNC[C@H]1CN(C(=O)CCn2ccnn2)CCCO1 1200368005 UZQZAGDTFLUASU-AWEZNQCLSA-N 305.382 -0.101 30 20 DBED N#CCNC[C@H]1CN(C(=O)c2ccc3nn[nH]c3n2)CCCO1 1200641253 AESZDIBXRGEDFJ-JTQLQIEISA-N 315.337 -0.303 30 20 DBED CC#CCNC[C@H]1CN(C(=O)C[C@@H]2CCNC2=O)CCCO1 1200681319 ZLBFIWMXDRFPMI-KBPBESRZSA-N 307.394 -0.257 30 20 DBED CC#CCNC1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)CC1 1200888558 XMRUWUUAJVKVEQ-UHFFFAOYSA-N 318.377 -0.849 30 20 DBED CC#CCNC[C@H]1CN(C(=O)[C@H](C)N2CCOCC2)CCCO1 1202244033 RZNILHQEPWOBJR-HOTGVXAUSA-N 323.437 -0.063 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)c2cn(C)c(O)n2)CC1 1202331439 RCOXPIIUIMBJSP-UHFFFAOYSA-N 321.381 -0.378 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)CN2CC[C@H](C)C2)CC1 1202496014 MKLWQYJFINYPFU-AWEZNQCLSA-N 320.437 -0.342 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CCN(C(=O)CC(=O)N(C)C)CC1 1202826493 CAKVXPDMSXFBMI-GFCCVEGCSA-N 322.409 -0.817 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)Cc2cc[nH]n2)CC1 1204868890 HRLAEGWCGMMBHU-UHFFFAOYSA-N 317.393 -0.470 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)[C@H](C)n2cccn2)C1 1207422651 ZZEPXJPBKLUGSR-KBPBESRZSA-N 317.393 -0.226 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)CCc2nc[nH]n2)C1 1207765273 ZIAJOIBHWADGLG-GFCCVEGCSA-N 318.381 -0.933 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@@H](NCc2nncs2)C1 1207872432 PLZKTWBRSFILPX-LLVKDONJSA-N 321.406 -0.242 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)[C@]1(F)CCOC1 1208405144 LPQIKTJHQCGDLR-GYSYKLTISA-N 312.345 -0.809 30 20 DBED COc1cncc(CN2C[C@@H](NC(=O)[C@@H](C)C#N)[C@H](OC)C2)n1 1212041111 FMWIIGTVLYDVLK-CYZMBNFOSA-N 319.365 -0.040 30 20 DBED COCC#CCN1C[C@@H](NC(=O)c2nccc(C)n2)[C@H](OC)C1 1212195572 BHQOKBNHZAEFRG-ZIAGYGMSSA-N 318.377 -0.136 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@H](C)NC(=O)c1ccoc1 1212318745 JMEWYMTVKDOZHZ-CYZMBNFOSA-N 320.349 -0.263 30 20 DBED COCC#CCN1C[C@@H](NC(=O)c2ccc(O)nc2)[C@H](OC)C1 1213803879 SRAAFQSGCTYQFS-ZIAGYGMSSA-N 319.361 -0.134 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H](C)n2cccn2)C[C@H]1C 1214176439 DFIPBJKWGJFBRV-MGPQQGTHSA-N 317.393 -0.370 30 20 DBED Cc1ocnc1C(=O)N1C[C@@H](NCC(=O)NCC#N)[C@H](C)C1 1214243489 YGVHWYTXANNOCV-MWLCHTKSSA-N 305.338 -0.327 30 20 DBED CC(C)N(C(=O)CN1C[C@H](O)[C@H](NC(=O)[C@H](C)C#N)C1)C(C)C 1219379078 NAVLOLBUUPLWGC-MCIONIFRSA-N 324.425 -0.047 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)CCCN2C(=O)CCC2=O)C1 1219748045 CYUVPBBJEMIFIN-OLZOCXBDSA-N 323.393 -0.347 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)CC(C)(F)F)C1 1220307413 RNKRZGAGULPDID-MXWKQRLJSA-N 317.336 -0.669 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)Cc2ccco2)C1 1220586302 VEXBCWYNCNZNPC-BNOWGMLFSA-N 321.377 -0.326 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)CCCn2cncn2)C1 1220686450 WJZOVMXSZXXOTF-NEPJUHHUSA-N 313.789 -0.028 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)COCC2CC2)CC1 1222470391 GCLDBIILUQFWLV-UHFFFAOYSA-N 321.421 -0.009 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCC(NC(=O)CCCC(N)=O)CC1 1230442559 OGFSJJADRWQTKS-GFCCVEGCSA-N 324.425 -0.087 30 20 DBED C=CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)CC(=O)NCC 1233817805 BHWBVWRMFQTHDI-GFCCVEGCSA-N 310.398 -0.653 30 20 DBED CC[C@@](C)(C#N)NC(=O)C1CCN(S(=O)(=O)NC)CC1 1321880224 RUSADURETLIFJN-LBPRGKRZSA-N 302.400 -0.029 30 20 DBED C#CCOCCc1nc(CCN(C)S(=O)(=O)N(C)C)no1 1325503839 PJLSDNYSAWUQOR-UHFFFAOYSA-N 316.383 -0.457 30 20 DBED CCONC(=O)CNC(=O)N1CCC(C#N)(C(=O)OC)CC1 1328872839 RHKRZGIAYCLFRN-UHFFFAOYSA-N 312.326 -0.458 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)NC[C@H](C)SC 1329797911 HSVZXAKZHJJPKJ-VIFPVBQESA-N 308.425 -0.429 30 20 DBED C=CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)[C@@H](C)COC 1329911292 KLDDCXXPIYTTLE-NWDGAFQWSA-N 304.412 -0.187 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 1330938299 RTAWXHHGOHQBFL-GFCCVEGCSA-N 321.377 -0.636 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N[C@@H]2CCO[C@@H](C)C2)nn1 1332045680 QRNRJRHYWZQROI-WDEREUQCSA-N 307.354 -0.236 30 20 DBED C#C[C@H](NC(=O)C(=O)N(CC)CCC(=O)NC)[C@H]1CCCO1 1334245425 UKHCIYMUNWOEGR-NWDGAFQWSA-N 309.366 -0.732 30 20 DBED COCC[C@@H](NC(=O)C(=O)Nc1cccc(C#N)c1)C(N)=O 1338724390 PBGWNZMCZNBPBB-LLVKDONJSA-N 304.306 -0.497 30 20 DBED N#C[C@H]1CCCN(C(=O)C(=O)N2CC[C@@H](N3CCNCC3)C2)C1 1339222860 FHIRJUGGNGEDHI-ZIAGYGMSSA-N 319.409 -0.745 30 20 DBED C#C[C@@H](C)OC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 1343308433 FTBKTHRRJOUWPB-NXEZZACHSA-N 312.347 -0.283 30 20 DBED C=CCN(CCOC)C(=O)C(=O)NCc1cn(CC=C)nn1 1349044661 CKOURDONELGROV-UHFFFAOYSA-N 307.354 -0.259 30 20 DBED C#CCn1cc(CNC(=O)[C@@H]2CCc3nnc(O)n3C2)cn1 1358160229 YMHMDBQEZYPZRJ-LLVKDONJSA-N 300.322 -0.308 30 20 DBED N#Cc1cccc(CNC(=O)CN2CC[C@H](O)[C@H](CO)C2)c1 1363816845 PWAYRYGVTKULFP-GJZGRUSLSA-N 303.362 -0.150 30 20 DBED CS(=O)(=O)NC1CN(C(=O)NCC2(C#N)CCOCC2)C1 1365448039 QUKUCBPDTYMXDD-UHFFFAOYSA-N 316.383 -0.750 30 20 DBED C=C(Cl)CNC[C@H](O)CNC(=O)c1ncc(OC)cn1 1367601404 JEGFQVPEBKRLOW-VIFPVBQESA-N 300.746 -0.082 30 20 DBED N#Cc1ccc(F)c(CNC[C@H](O)CNC(=O)c2cnn[nH]2)c1 1367607662 MRKHESXUXGNANZ-NSHDSACASA-N 318.312 -0.304 30 20 DBED COCc1cc(C(=O)N(C)C[C@H](O)CNC(=O)[C@@H](C)C#N)no1 1384217654 SYHNMYOXVSQOBD-VHSXEESVSA-N 324.337 -0.470 30 20 DBED C[C@@H](CC(N)=O)C(=O)NC1CN(C(=O)c2c[nH]c(C#N)c2)C1 1389342842 MSVGDIUDOOXPEH-QMMMGPOBSA-N 303.322 -0.662 30 20 DBED CCN(CCC#N)C(=O)CN1CC(O)(CNC(=O)C(C)(C)C)C1 1393356437 DOFODJUVMJTWGA-UHFFFAOYSA-N 324.425 -0.042 30 20 DBED CC[C@@H](C)OCC(=O)NC[C@H](O)CNC(=O)c1cc(C#N)c[nH]1 1399820910 NKFCKIKIRQGKKF-PWSUYJOCSA-N 322.365 -0.092 30 20 DBED C[C@@H](CNCc1nc(O)n[nH]1)N(C)C(=O)c1cc(C#N)c[nH]1 1401194171 KAIACEVDZBRXEI-QMMMGPOBSA-N 303.326 -0.040 30 20 DBED C[C@@H](C#N)C(=O)NCC1CN(C(=O)[C@H](NC(N)=O)C(C)(C)C)C1 1409175710 HPLCGOHYHMBMPO-ONGXEEELSA-N 323.397 -0.196 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](C)NC(=O)c1cnc2[nH]nnc2c1 1416824280 WRPXRULSJFGDDJ-JGVFFNPUSA-N 301.310 -0.253 30 20 DBED C[C@H](C#N)C(=O)N1CCC(O)(CNCC(=O)NC2CC2)CC1 1424551276 ULJDIKNMTNNDQP-LLVKDONJSA-N 308.382 -0.632 30 20 DBED CCOC(=O)C1(CNS(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 1424632481 XEGNDBSXUUAYQO-JTQLQIEISA-N 317.367 -0.612 30 20 DBED C[C@H](CNC(=O)c1ccn2nnnc2c1)CNC(=O)[C@H](C)C#N 1431056975 SBXWEIIWZZWDQO-VHSXEESVSA-N 315.337 -0.234 30 20 DBED N#Cc1cnc(C(=O)N2CCN(CC(N)=O)C(=O)C2)c(Cl)c1 1434074709 YTETYIKPDATUGD-UHFFFAOYSA-N 321.724 -0.624 30 20 DBED CCn1nc(C(=O)NC[C@H](C)N(C)C(=O)[C@H](C)C#N)ccc1=O 1442886425 ZFMIYYSKAOXFEY-MNOVXSKESA-N 319.365 0.000 30 20 DBED C=C(Cl)CN1CCO[C@@H](CNC(=O)CCn2cnnn2)C1 1444473679 SKOATTIIMZABIX-NSHDSACASA-N 314.777 -0.367 30 20 DBED CC(C)[C@H](C)NC(=O)CN1CC(O)(CNC(=O)[C@H](C)C#N)C1 1446829877 SGPADDOFCQMDNW-NEPJUHHUSA-N 310.398 -0.530 30 20 DBED C[C@H](C#N)C(=O)N(C)CCN(C)C(=O)[C@@H](C)CS(C)(=O)=O 1457792655 BOQKUVOXNHRSHA-MNOVXSKESA-N 317.411 -0.256 30 20 DBED CN(C)C1(CNc2[nH]c(=O)n(C)c(=O)c2C#N)CCOCC1 1472700337 OBKRCYCRWUMSAQ-UHFFFAOYSA-N 307.354 -0.532 30 20 DBED CN(CCC#N)S(=O)(=O)NCC1CCS(=O)(=O)CC1 1475165702 IIDIUZFOKGBTBB-UHFFFAOYSA-N 309.413 -0.509 30 20 DBED C#CCNC(=O)CN[C@H](CC)CNC(=O)[C@@H]1CCCCN1C 1481824289 SAWNYPHBJKCFDN-KGLIPLIRSA-N 308.426 -0.296 30 20 DBED CCNC(=O)CN1CC(N2CCN(C(=O)[C@@H](C)C#N)CC2)C1 1484941328 CRGSHRSMIKPIIU-LBPRGKRZSA-N 307.398 -0.889 30 20 DBED C=C(Cl)CN(C)[C@H](C)CNC(=O)CN1CCNC(=O)C1 1485337043 RCUIBJYBGVNXJO-LLVKDONJSA-N 302.806 -0.393 30 20 DBED CN(CCNC(=O)CCn1cncn1)C(=O)c1cc(C#N)c[nH]1 1495852451 BDLOAIYGHQIROB-UHFFFAOYSA-N 315.337 -0.244 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNCc1cc2n(n1)CCCC2 1496955401 PKOMKHQNQUEHIN-FZMZJTMJSA-N 305.382 -0.054 30 20 DBED C#CCCCCC(=O)N1CCC[C@@H]1CNCC(=O)NC(N)=O 1569538411 NDYONQKZBBBFSP-GFCCVEGCSA-N 308.382 -0.045 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCCN(C(=O)CNC(=O)O)CC1 1573347485 KZMXHXNBFWLNJH-CQSZACIVSA-N 313.354 -0.358 30 20 DBED C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@H](CNS(N)(=O)=O)C1 1574852572 VMVWWMZYIBAORA-NXEZZACHSA-N 324.834 -0.512 30 20 DBED N#Cc1c(-c2nn[nH]n2)ncn1C[C@@](O)(C(N)=O)c1ccccc1 1581860680 NHEBOIMRQNRTJF-AWEZNQCLSA-N 324.304 -0.692 30 20 DBED C=C(C)C[C@@H](CO)NS(=O)(=O)N1CCC(C(=O)O)CC1 1588537373 NUBLAZVBYXFSBA-NSHDSACASA-N 306.384 -0.056 30 20 DBED C=C(CCC(=O)O)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)OCC 1588619118 LLCFSLBDTLHQHC-NXEZZACHSA-N 314.338 -0.020 30 20 DBED C=CCO[C@@H]1CCN(C(=O)[C@H](C)n2cnc(-c3nn[nH]n3)n2)C1 1588664957 AHGQFLVQFIRGRE-VHSXEESVSA-N 318.341 -0.177 30 20 DBED N#C[C@H]1CN(C(=O)C2(C(=O)O)CCS(=O)(=O)CC2)CCO1 1594605640 HZHRXKGPRIDSNC-VIFPVBQESA-N 316.335 -0.983 30 20 DBED C#CC[C@@H](NS(=O)(=O)c1cc(C(=O)O)no1)C(=O)OC 1602698647 OYRWJGNHZSMYAN-ZCFIWIBFSA-N 302.264 -0.784 30 20 DBED CC(C)CN(CCC(=O)O)S(=O)(=O)N1CCO[C@H](C#N)C1 1603811688 IJFBBJIIASNJPH-LLVKDONJSA-N 319.383 -0.112 30 20 DBED C#CCNC(=O)CN1CCN(CCNC(=O)[C@@H](F)CC)CC1 1752371353 UGKYMHVJJUXWKS-ZDUSSCGKSA-N 312.389 -0.782 30 20 DBED C#CCNC(=O)CN[C@@H](CNC(=O)c1cccnc1)C1CC1 1752444501 IECMINKBXLZHAB-AWEZNQCLSA-N 300.362 -0.071 30 20 DBED C#CCNC(=O)CN[C@H](C)CNC(=O)Cn1cc(C2CC2)cn1 1752881684 GAZXITQNCZKQBY-GFCCVEGCSA-N 317.393 -0.396 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCN(C)Cc1ncnn1CC 1753052023 SZTVUWFVQTWOQK-AWEZNQCLSA-N 318.425 -0.056 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC[C@H]1CNC(=O)c1ccnn1C 1753097387 GFFHFYSNYLDRNX-OLZOCXBDSA-N 317.393 -0.248 30 20 DBED C#CCNC(=O)CN1CC[C@@H](N(C)C(=O)[C@@H](C)NC(=O)CC)C1 1753436150 GARKVFGLIZYQBR-CHWSQXEVSA-N 322.409 -0.817 30 20 DBED C#CCNC[C@@H]1[C@@H](C)CCCN1C(=O)CN1CCN(C)C(=O)C1 1753807261 KVGBINARPNBGPL-LSDHHAIUSA-N 320.437 -0.390 30 20 DBED C=CCN1CCC[C@@](CO)(NC(=O)[C@H]2CCN(C)C(=O)C2)C1 1754855315 MXBXDFAOWDBSIS-XJKSGUPXSA-N 309.410 -0.016 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)C(C)(C)NC(C)=O)CO2)C1 1755063582 LKJHFAJHOYBNBX-CYBMUJFWSA-N 307.394 -0.116 30 20 DBED C#CCNC(=O)CN[C@H]1CN(C(=O)c2cc(C)on2)C[C@@H]1C 1755103263 JGMYQISLGZKPJG-GWCFXTLKSA-N 304.350 -0.217 30 20 DBED C#CCNC(=O)CNC[C@H]1C[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 1755469297 KORCYPGILBQYCK-AULYBMBSSA-N 313.361 -0.266 30 20 DBED C#CCNC[C@H](C1CC1)N(C)C(=O)c1cn(CCOC)nn1 1755570810 JLMFIEIKRTZQAK-CQSZACIVSA-N 305.382 -0.002 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](CO)NCC(=O)N(C)C 1755641866 KLBKQSCVERLTBM-OBJOEFQTSA-N 313.398 -0.878 30 20 DBED C#CCNC(=O)CNC[C@@H](O)CN(C)C(=O)c1ccccc1 1755771588 OMNQVEUQAYPGHR-CQSZACIVSA-N 303.362 -0.542 30 20 DBED C#CCN(C)C[C@H](O)CN(C)C(=O)COc1c(C)nn(C)c1C 1755800685 LRLLLBDQZSGYBU-AWEZNQCLSA-N 322.409 -0.200 30 20 DBED C=CCN(C)C[C@@H](O)CN(C)C(=O)C(=O)Nc1cc(C)on1 1755808090 OGMOPTNJROZBLQ-LLVKDONJSA-N 310.354 -0.141 30 20 DBED C=CCNC(=O)CN1CC=C(CNC(=O)Cn2cncn2)CC1 1755897997 SVOFHMVVKLBKML-UHFFFAOYSA-N 318.381 -0.671 30 20 DBED C=C(C)CCC(=O)N[C@@H](C)[C@@H](C)NC(=O)CN1CC(=O)NC1=O 1755974048 KOYMXBXWMNKJLK-WDEREUQCSA-N 324.381 -0.096 30 20 DBED C[C@@H](C#N)C(=O)NCCOCCN(C)C(=O)CN1CCCC1 1756381972 VHQSQTKGWUWYBL-ZDUSSCGKSA-N 310.398 -0.167 30 20 DBED C=CCO[C@@H](C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2[nH]nnc2C)C1 1757021770 DUZUBPVEIBWFNI-HBNTYKKESA-N 323.353 -0.994 30 20 DBED NS(=O)(=O)CCCC(=O)ON1C(=O)c2ccccc2C1=O 1772777598 XFHRRRDCBMFAPY-UHFFFAOYSA-N 312.303 -0.191 30 20 DBED C#CCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(O)O)C2 1783163690 QJPAEQAONVRGOH-MLGOLLRUSA-N 324.377 -0.776 30 20 DBED CC(=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)S)[C@H]2C1 1791260287 PWXDUEHHVBVNAC-RHYQMDGZSA-N 314.407 -0.127 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c(C)noc1N 1795576150 GUFVEOXPPOURFB-DDFAGTSDSA-N 318.333 -0.598 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)[C@H](O)C=C 1797710750 WMCDIPRBWRFGJQ-QVHKTLOISA-N 320.389 -0.218 30 20 DBED C#CC(=O)Nc1cc([C@H]2CCCCN2C(=O)CNC(N)=O)[nH]n1 1821878270 AUDVRZOMEYNIKT-SNVBAGLBSA-N 318.337 -0.297 30 20 DBED CC(C)[C@@H](S)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(O)O 1847443389 QSFDBTFILPTAFC-LPEHRKFASA-N 302.396 -0.547 30 20 DBED O=C(N[C@H](Cc1ccccc1)C(=O)N1CCOCC1)[C@H]1CO1 1887573921 ZVTKJOKXJYUSKA-ZIAGYGMSSA-N 304.346 -0.029 30 20 DBED CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCN(CC(N)=O)CC1 54978232 BAFGTTKWJSBQCQ-DOMZBBRYSA-N 309.414 -0.468 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N(C)C(C)C)c1=O 61355542 OFBUIPZVWSLJGP-UHFFFAOYSA-N 322.365 -0.590 30 20 DBED C#CCN1CCC(C(=O)N2CCN(CCOC)C(=O)C2)CC1 91988593 OTIMQJQWFNNOSV-UHFFFAOYSA-N 307.394 -0.351 30 20 DBED C#CCNC(=O)COC(=O)CNC(=O)c1cc(F)cc(F)c1 139273357 JZFDHCADMFGSCK-UHFFFAOYSA-N 310.256 -0.013 30 20 DBED C#CC[C@H](NC(=O)c1ccc(S(=O)(=O)N(C)C)o1)C(=O)O 149561115 ZJRQEDBZVZYIOK-QMMMGPOBSA-N 314.319 -0.264 30 20 DBED N#Cc1ccc(OCCN2CCN3C(=O)C(=O)NC[C@@H]3C2)cc1 177115532 HPRXRHSGHLOFJO-CYBMUJFWSA-N 314.345 -0.420 30 20 DBED C[C@@H](C(=O)NC(N)=O)N1CCN(c2ccc(C#N)cn2)CC1 193773155 OYKJOOVHCDATMA-JTQLQIEISA-N 302.338 -0.341 30 20 DBED N#Cc1ncccc1S(=O)(=O)NC[C@@H]1CCCS1(=O)=O 236409607 LVWZDBRMNBAEAW-VIFPVBQESA-N 315.376 -0.191 30 20 DBED C/N=C(/NC[C@H](C)N(C)C)N1CCN(c2cnn(C)c2)C(=O)C1 261700819 JECNVEGOLXLBFT-LBPRGKRZSA-N 321.429 -0.406 30 20 DBED C#CCOc1cccc(NC(=O)C(=O)N2CC(=O)N[C@H](C)C2)c1 296251212 QEVQSHZWAUERQB-LLVKDONJSA-N 315.329 -0.016 30 20 DBED C=CCN(CCN1CCCS1(=O)=O)[C@H]1CCS(=O)(=O)C1 330365609 FSZBHLADNLRWOI-LBPRGKRZSA-N 322.452 -0.303 30 20 DBED CC(C)[C@](C)(C#N)NC(=O)CN1CCN2C(=O)NC(=O)[C@H]2C1 330515930 WCBVUEDEJSSKTI-YGRLFVJLSA-N 307.354 -0.723 30 20 DBED C[C@@H]1C[C@@H](NS(=O)(=O)N2CCO[C@@H](C#N)C2)CN1C1CC1 336949031 RDTJMZTWBNNOAT-WZRBSPASSA-N 314.411 -0.330 30 20 DBED C[C@H]1[C@@H](C)N(S(=O)(=O)N2CCO[C@@H](C#N)C2)CC[S@]1=O 337090676 JZSZNWPHOKWQFH-GCAYIHFWSA-N 321.424 -0.703 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N1CSC[C@H]1C(=O)N(C)C 337844307 WMXDFNZBETYNDW-UWVGGRQHSA-N 320.440 -0.072 30 20 DBED C=C(C)COCCNC(=O)c1cc(S(N)(=O)=O)cn1C 339906692 QQDSJCCLNLIJFT-UHFFFAOYSA-N 301.368 -0.005 30 20 DBED C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NCC#N 339924272 XXNJDOWMYMKVKO-MRVPVSSYSA-N 310.335 -0.908 30 20 DBED Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N[C@H](C)C#N 340434530 QEUFREGDZLHKMM-SVRRBLITSA-N 300.340 -0.013 30 20 DBED C=CC[C@@H](CO)NC(=O)NCCS(=O)(=O)N(CC)CC 341216668 MSYRRXYETIQLBM-NSHDSACASA-N 307.416 -0.106 30 20 DBED C[C@H](NC(=O)NCC(=O)NCC#N)[C@H](O)Cc1ccccc1 358280171 SYXUZPBVAXXESH-WCQYABFASA-N 304.350 -0.083 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N[C@@H]1CCN(C(=O)CC)C1 360314372 AWJICXSSXBQSGI-GFCCVEGCSA-N 311.382 -0.226 30 20 DBED Cn1c(N2CC[C@H]([C@H]3CCOC3)C2)c(C#N)c(=O)n(C)c1=O 371002724 CICITZJCVOAJHA-QWRGUYRKSA-N 304.350 -0.182 30 20 DBED C=C(Br)CNC(=O)N1CCN(C(=O)C(=O)O)CC1 396695388 WLHSPHGQQCMNIT-UHFFFAOYSA-N 320.143 -0.167 30 20 DBED CC(=O)N1CCN(C(=O)[C@H](C)n2cc(C#N)ccc2=O)CC1 408191887 KJPHMGBJUZMNSY-NSHDSACASA-N 302.334 -0.028 30 20 DBED N#C[C@H]1COCCN1S(=O)(=O)C[C@H]1CCCS(=O)(=O)C1 408193200 QTWPSCKZROEVIT-QWRGUYRKSA-N 322.408 -0.635 30 20 DBED C=C[C@H](CO)NC(=O)NC[C@@H](N1CCNCC1)C(F)(F)F 418618293 OHMKLNRCFGQAAN-NXEZZACHSA-N 310.320 -0.331 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1C[C@@H]2CNC[C@@H]2C1 418821330 GGHCJFHVZYXOII-MQYQWHSLSA-N 307.394 -0.238 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N[C@H]1CCC(=O)N(C)C1=O 425230017 UKQYLBLNZAQIFL-BDAKNGLRSA-N 302.356 -0.940 30 20 DBED C[C@@H]1C[C@]1(C#N)C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 448727453 XYLKNUAFIWMQGF-MLGOLLRUSA-N 318.377 -0.171 30 20 DBED C#CCN(C(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)C1CC1 491816887 ICIRODAUJWXSPM-CQSZACIVSA-N 319.405 -0.209 30 20 DBED N#Cc1nc(NC(=O)CCNC(=O)[C@@H]2CCCN2)[nH]c1C#N 567828142 AQKWKSLKGMHMJP-QMMMGPOBSA-N 301.310 -0.650 30 20 DBED C=CCOC[C@H](NS(=O)(=O)[C@@H]1COC[C@@H]1OC)C(=O)OC 591703822 VQZWEAJRZZFUOX-GARJFASQSA-N 323.367 -0.936 30 20 DBED C=CCOC[C@@H](NC(=O)[C@H](C)NS(=O)(=O)CC)C(=O)OC 597606106 DNPBCDAZMJAUGI-VHSXEESVSA-N 322.383 -0.825 30 20 DBED CCN1C[C@H](S(=O)(=O)N2CCSC[C@@H]2C#N)CC1=O 601387308 UHFXZCOUVOMLHN-VHSXEESVSA-N 303.409 -0.122 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@@H](C)NC(=O)CC)CC1 642349097 IFVHLXZXOLUOKX-GFCCVEGCSA-N 310.398 -0.653 30 20 DBED C=C[C@@H](O)C(=O)N1CCN(CC(=O)N=c2cc(C)o[nH]2)CC1 646610612 BRJKTGJMLMFOKE-LLVKDONJSA-N 308.338 -0.965 30 20 DBED C#CCOc1cccc(NC(=O)C(=O)N2CCCNC(=O)C2)c1 731129110 OFBKWYXTXQUTBG-UHFFFAOYSA-N 315.329 -0.014 30 20 DBED C=CCN(CC(=O)OCC)S(=O)(=O)N(C)CCC(=O)OC 749287421 LYQWXXXMGZPAGX-UHFFFAOYSA-N 322.383 -0.223 30 20 DBED N#Cc1ccc(NCCNC(=O)NC[C@]2(O)CCOC2)nc1 755057539 PCBXMYPMPMHTGT-CQSZACIVSA-N 305.338 -0.184 30 20 DBED C#C[C@H](NC(=O)C(=O)Nc1cc(C)c(=O)n(C)c1)[C@H]1CCCO1 773791514 CIAXGCLBEWUAGK-QWHCGFSZSA-N 317.345 -0.071 30 20 DBED C#C[C@H](NC(=O)C(=O)NCCCN1CCOCC1)[C@H]1CCCO1 774471955 RVZHJKRJNGAJMO-UONOGXRCSA-N 323.393 -0.878 30 20 DBED CC(C)S(=O)(=O)CC(=O)OCC(=O)NC1(C#N)CCC1 784208647 QCNRSBWPUGNIHX-UHFFFAOYSA-N 302.352 -0.085 30 20 DBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NOCCO 787282885 MCOCHSSDZLZWER-VIFPVBQESA-N 313.335 -0.735 30 20 DBED COCC(=O)N(C)CC(=O)O[C@H](C)C(=O)NC1(C#N)CCC1 787757542 CNJHEGUJVUWJDT-SNVBAGLBSA-N 311.338 -0.415 30 20 DBED COCCN(CCC(=O)OC)S(=O)(=O)N(C)[C@H](C)CC#N 800913172 HVWIBNWOMFNRRU-LLVKDONJSA-N 321.399 -0.023 30 20 DBED CC#CC(=O)N(C)C1CCN(CC(=O)N2CCN(C)CC2)CC1 801151888 DEBQRSOYLMPHPB-UHFFFAOYSA-N 320.437 -0.294 30 20 DBED CC(C)C#CC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 822812105 SSIMPYAYFLDHCH-UHFFFAOYSA-N 319.361 -0.534 30 20 DBED C#CCNC(=O)C1CCN(C(=O)NCC(=O)NOCC)CC1 845535600 SRCOGVXFHCLROZ-UHFFFAOYSA-N 310.354 -0.775 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[C@H]3C[C@H]3C2)c1=O 853581750 YKCFSPKODMVAGH-STQMWFEESA-N 318.377 -0.157 30 20 DBED O=C1C[C@](C(=O)N[C@@H]2CCCN(O)C2=O)(c2ccccc2)CN1 854649266 TXFKZAOJGLDXFL-MLGOLLRUSA-N 317.345 -0.059 30 20 DBED C=CCC1(O)CCN(C(=O)NCCS(=O)(=O)NC)CC1 884284632 PDIPUZXTQIUDNK-UHFFFAOYSA-N 305.400 -0.352 30 20 DBED C#CCN1CCC[C@@H](NC(=O)NCCS(=O)(=O)N(C)C)C1 884366500 AOFKHGTYBSFESH-GFCCVEGCSA-N 316.427 -0.725 30 20 DBED CN(C)CC#CCNC(=O)c1ccc(S(N)(=O)=O)cc1F 913520161 GDYJIPCUCSHMPN-UHFFFAOYSA-N 313.354 -0.232 30 20 DBED C#CC1(O)CN([C@@H](C)C(=O)N2CCN(C(=O)OCC)CC2)C1 934446855 JBXVQEMLYCZJEN-LBPRGKRZSA-N 309.366 -0.645 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](N(C)C(=O)CN2CCOCC2=O)C1 939406057 KOOYEIVZIOGGHQ-NEPJUHHUSA-N 322.365 -0.936 30 20 DBED Cc1nn[nH]c1C(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 941969457 QGSXJOPNJOWPKN-SNVBAGLBSA-N 313.321 -0.043 30 20 DBED C#CCCN1CC[C@@H](NC(=O)Cn2ccc(O)nc2=O)[C@H](C)C1 942313317 HJXNSHKIBXOPGP-CHWSQXEVSA-N 318.377 -0.201 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2CCCCN(C(=O)C(N)=O)C2)[nH]1 943191711 ZTAIPJPAPASPHE-JTQLQIEISA-N 303.322 -0.517 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2CCCCN(C(=O)C(N)=O)C2)nc1 943402678 DKLSMLMGMRWGCI-LBPRGKRZSA-N 314.345 -0.341 30 20 DBED O=C(NC[C@@H]1CN(C(=O)C#CC2CC2)CCO1)[C@H]1CCOC1 944506235 DKDDLQJFXDVPLI-UONOGXRCSA-N 306.362 -0.220 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2CN(C(=O)C(N)=O)CCO2)cc1 944698552 LNJSSAZVPAAUKK-ZDUSSCGKSA-N 315.329 -0.890 30 20 DBED CO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1NC(=O)c1cccnn1 946300132 PLMJVQOADJAEPX-YUSALJHKSA-N 303.322 -0.408 30 20 DBED O=C(N[C@@H]1[C@H]2C[C@H]1N(C(=O)C#CC1CC1)C2)C1CS(=O)(=O)C1 947224138 UTJUIRWTKCNALI-ZKYQVNSYSA-N 322.386 -0.840 30 20 DBED N#Cc1c[nH]c(C(=O)N2C[C@H]3C[C@H]2[C@H]3NC(=O)c2nc[nH]n2)c1 947755734 LAVVVPZILODUPC-MIMYLULJSA-N 311.305 -0.353 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)C1CN(C(C)=O)C1)CCO2 949080991 MEASLMAVQVDEAP-UHFFFAOYSA-N 319.405 -0.209 30 20 DBED C=C(C)C(C)(C)C(=O)N1CC[C@H]1CNC(=O)[C@H]1CNC(=O)N1 951874980 RQLWRGCNWVBTOH-WDEREUQCSA-N 308.382 -0.013 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@](C)(NC(=O)c2nnc(O)nc2O)C1 957235987 QEFQQNAUHQNYMB-FUXBKTLASA-N 320.309 -0.837 30 20 DBED C=CCN1C[C@H](CNC(=O)c2ccc3nnnn3c2)[C@@H](O)C1 958257693 IVULPKCSDYCOMD-RYUDHWBXSA-N 302.338 -0.667 30 20 DBED C=CCN1C[C@H](CNC(=O)c2cnn3cccnc23)[C@@H](O)C1 958309393 LAODFJPYUOYMFW-AAEUAGOBSA-N 301.350 -0.062 30 20 DBED CC#CCN1C[C@@H](O)[C@H](CNC(=O)c2cnn(CCOC)c2)C1 958635254 GLNADUJOYFKREX-UKRRQHHQSA-N 320.393 -0.425 30 20 DBED Cc1cc(O)nc(C)c1C(=O)NC[C@H]1CN(CC#N)C[C@H]1O 958713562 DWPMCFDCUMUDGB-NWDGAFQWSA-N 304.350 -0.050 30 20 DBED C#CCN1CCC(C(=O)NC[C@H]2CN(CCOC)C[C@H]2O)CC1 958724366 OCYYJYSRJHNQBW-JKSUJKDBSA-N 323.437 -0.613 30 20 DBED CCn1cc(C(=O)N(C)[C@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)cn1 958761121 JQQCQDTYMNXFSH-WXHSDQCUSA-N 319.365 -0.294 30 20 DBED C#CCN1C[C@H]2C(NC(=O)[C@H]3CCc4nnc(O)n4C3)[C@@H]2C1 960661254 ZAMXCHQFJCCXSH-HBNTYKKESA-N 301.350 -0.774 30 20 DBED C=C(Cl)CN1C[C@H]2C(NC(=O)CN3C(=O)CNC3=O)[C@@H]2C1 962480759 DPBVJORIJXMNEK-RKDXNWHRSA-N 312.757 -0.663 30 20 DBED N#Cc1cc(C(=O)N2CCC3(CC2)C[C@@H]3NC(=O)C(N)=O)c[nH]1 965037995 JXADBHRGHDPGJT-NSHDSACASA-N 315.333 -0.517 30 20 DBED C[C@H](C#N)C(=O)N1CCOC2(CN(C(=O)c3cnn(C)n3)C2)C1 965474852 RULNCVFXGXNANN-SNVBAGLBSA-N 318.337 -0.972 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CC2CC2)C[C@@H]1O 968345551 BOTFVLWESGCAGN-ILXRZTDVSA-N 319.405 -0.428 30 20 DBED Cn1cncc1C(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 968555594 RXUROMRUVDLXRC-YPMHNXCESA-N 302.334 -0.865 30 20 DBED C#CCN1CCC(C(=O)N[C@@H]2CN(CC(N)=O)CC[C@H]2C)CC1 968682538 SCDJFSQZHDTUTF-UKRRQHHQSA-N 320.437 -0.357 30 20 DBED C=CCCN1CC([C@H](C)NC(=O)[C@H]2CCS(=O)(=O)N2)C1 970892796 SEKLMYAAUOVIQZ-CMPLNLGQSA-N 301.412 -0.309 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)[C@H]3CCCN3C(C)=O)C2)C1 972693243 XEYRIZYRSHWHGX-NVXWUHKLSA-N 319.405 -0.066 30 20 DBED CC(=O)N1CC[C@H](C(=O)N[C@H]2[C@@H]3CN(C(=O)[C@H](C)C#N)C[C@@H]32)C1 976975417 INSFWAMBEAFTKD-NGBXAZJTSA-N 318.377 -0.413 30 20 DBED C#CCCN1C[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C(C)(C)C1 977606357 VEIWHZYAEOJITI-NWDGAFQWSA-N 313.423 -0.472 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H]2C[C@@H](CNC(=O)c3cnn[nH]3)C2)c1 979019545 YZVQJJRUGIFXNG-WAAGHKOSSA-N 313.321 -0.057 30 20 DBED C#CCN[C@@H]1CCC[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C1 981124853 MPSPLRDMLZVGPG-CHWSQXEVSA-N 318.377 -0.803 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)c3cnn(C)n3)C[C@H]2C1 986593768 DAHUAFHHRZTUKV-TUAOUCFPSA-N 316.365 -0.105 30 20 DBED C#CCN1CCC(C(=O)N2CC[C@H](NC(=O)CC)[C@@H](O)C2)CC1 991141990 WVUOSTBJUAAHMM-GJZGRUSLSA-N 321.421 -0.180 30 20 DBED O=C(N[C@@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1O)c1cn[nH]c1 991304513 YWBFYGNCSUZABC-OLZOCXBDSA-N 302.334 -0.485 30 20 DBED C#CCN1CC=C(CNC(=O)C2CC3(C2)NC(=O)NC3=O)CC1 1001255005 UNRUGKDKICEYHI-UHFFFAOYSA-N 316.361 -0.644 30 20 DBED CC(=O)N1CCO[C@@H](C(=O)N2CCN(C(=O)[C@@H](C)C#N)CC2)C1 1011999361 DDGRDPPUDVWVKN-WCQYABFASA-N 322.365 -0.936 30 20 DBED C=CCN1CCC2(CC1)C[C@@H]2NC(=O)[C@H]1CCS(=O)(=O)N1 1016978359 HODHEBWZAFSNLM-NEPJUHHUSA-N 313.423 -0.165 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(C1)CN(C(=O)[C@@H]1CCCNC1=O)C2 1019111865 HXGJFJRDXFQQNQ-NWDGAFQWSA-N 318.377 -0.267 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CCN(C(=O)Cn3cnnc3O)[C@@H]2C1 1021428364 HSALHMOSBVKDJV-GARJFASQSA-N 318.337 -0.797 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]2CN(C(=O)C(C)(C)C(N)=O)C[C@H]21 1022568793 XVIYMWRYUOBRJN-GARJFASQSA-N 306.366 -0.283 30 20 DBED C#CCCN1CC[C@@H](CNC(=O)c2cnc(O)n(C)c2=O)C1 1028734186 SMQWBTXBPUHQQD-NSHDSACASA-N 304.350 -0.439 30 20 DBED C=CCCn1cc(C(=O)NC[C@@H]2CCN([C@@H](C)C(N)=O)C2)nn1 1028858129 NAZKUOGUYCMIDX-RYUDHWBXSA-N 320.397 -0.220 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)c3cccc(O)n3)C2)C1=O 1030183240 OEGZTYLRKRQCHA-CYBMUJFWSA-N 316.361 -0.012 30 20 DBED C=CCN1CC[C@@H](N2CC(CNC(=O)[C@@H]3CCCN3C)C2)C1=O 1031584746 JKAKRUVOQXFNQZ-LSDHHAIUSA-N 320.437 -0.085 30 20 DBED C#CCCN1CCO[C@H](CNC(=O)c2cc(C(N)=O)co2)C1 1035505919 KEJPSATXXMZZNJ-GFCCVEGCSA-N 305.334 -0.168 30 20 DBED CC[C@H]1CN(C(=O)C2CC(=O)NC(=O)C2)CC[C@@H]1NCC#N 1037944098 DTLHPMDOAUMRHK-JQWIXIFHSA-N 306.366 -0.221 30 20 DBED N#CCN1CC[C@@H]([C@H]2CCCCN2C(=O)Cn2cnnn2)C1 1039186996 PWOZEJWVFCDSNV-CHWSQXEVSA-N 303.370 -0.100 30 20 DBED Cn1cc(C(=O)N2C[C@@H]3CCC[C@H](C2)N3CC#N)ncc1=O 1039781247 FQARUAQONLVMKZ-TXEJJXNPSA-N 301.350 -0.017 30 20 DBED C=CCOCC(=O)N1CC[C@@](O)(CNC(=O)Cc2ccc[nH]2)C1 1039879376 RMKOXMOVJXGRAX-MRXNPFEDSA-N 321.377 -0.161 30 20 DBED C[C@H]1[C@@H](Nc2cncc(C#N)n2)CCN1C(=O)Cn1cnnn1 1040050326 UGWBYNJCTVYWHC-ONGXEEELSA-N 313.325 -0.564 30 20 DBED O=C(NC[C@]1(O)CCN(C(=O)C#CC2CC2)C1)[C@H]1CCCO1 1040104181 KYPONGTUKVZGHF-CZUORRHYSA-N 306.362 -0.342 30 20 DBED C=CCO[C@H](C)C(=O)NC[C@]1(O)CCN(C(=O)COCC)C1 1040160065 AGYGQJXKPOKNRK-IUODEOHRSA-N 314.382 -0.306 30 20 DBED CCN(C)CCC(=O)N1CC[C@@](O)(CNC(=O)[C@@H](C)C#N)C1 1040762162 ZRHUEHXLWQBRBL-SWLSCSKDSA-N 310.398 -0.433 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CN(c3cc(F)ncn3)C[C@H]2O)[nH]1 1040965690 VDWFBYHGVGFBHF-GHMZBOCLSA-N 316.296 -0.205 30 20 DBED C=C(C)[C@H](CC(=O)N1CC(O)(CNC(=O)COC)C1)OCC 1041157762 CETNMKJRFJIJMG-LBPRGKRZSA-N 314.382 -0.306 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)CCC(=O)NCC)C1 1042013149 DJMDRLLNEBGGPV-UHFFFAOYSA-N 323.393 -0.604 30 20 DBED Cc1cc(CC(=O)NCC2(O)CN(C(=O)[C@@H](C)C#N)C2)n[nH]1 1042480532 BSWWZVAWTZZZCC-VIFPVBQESA-N 305.338 -0.890 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)[C@H]2CO[C@H](C)C2)C1 1042801143 FEBVMSIFFYOBAC-CHWSQXEVSA-N 308.378 -0.096 30 20 DBED CC#CCCCC(=O)N1CC(O)(CNC(=O)c2cnnn2C)C1 1042858226 XZQAIVDNLMWFQD-UHFFFAOYSA-N 319.365 -0.688 30 20 DBED Cc1cc(C(=O)N2CC(O)(CNC(=O)C#CC(C)C)C2)on1 1042937148 ZRBITMWFOCDATM-UHFFFAOYSA-N 305.334 -0.054 30 20 DBED CCn1nncc1C(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042958228 HOEVJISWDOOSRX-UHFFFAOYSA-N 317.349 -0.986 30 20 DBED C=CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2ccon2)C1 1043572452 VRYOUEJGLXXREZ-JTQLQIEISA-N 309.322 -0.431 30 20 DBED Cn1ccc(C(=O)N[C@@H]2CN(c3nccnc3C#N)C[C@@H]2O)c1 1043907894 KYNOQPOYTVRVIB-OLZOCXBDSA-N 312.333 -0.334 30 20 DBED Cc1nonc1C(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1044013232 JIBHAQVSTNSSTB-ZJUUUORDSA-N 315.293 -0.981 30 20 DBED C[C@@H]1C[C@H](NCC#N)CCN1C(=O)Cn1ccc(O)nc1=O 1044667959 QKLBCPBKXFEZKP-GHMZBOCLSA-N 305.338 -0.558 30 20 DBED CC#CCCCC(=O)NCC1(O)CN(C(=O)c2nonc2C)C1 1045007069 OEHMPOABAPZDHM-UHFFFAOYSA-N 320.349 -0.125 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)[C@@]2(C)CCCOC2)C1 1045362186 KCZUKRZIVQCGJJ-FZMZJTMJSA-N 309.366 -0.348 30 20 DBED C[C@@H](Cc1cnc[nH]1)C(=O)N1CC(O)(CNC(=O)[C@H](C)C#N)C1 1045554805 JWQQXSQRKFJJBI-WDEREUQCSA-N 319.365 -0.563 30 20 DBED CCCc1cc(C(=O)N2CC(O)(CNC(=O)[C@H](C)C#N)C2)n[nH]1 1045565287 UQFHVWUVRNBFKG-SNVBAGLBSA-N 319.365 -0.175 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)C[C@@H]2C[C@@H]2C)C1 1045757368 ACLAKAAFEZTRAY-STQMWFEESA-N 308.378 -0.238 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)CN2CCC[C@H]2C)C1 1046664948 LUAMEPRKHWQCBA-CQSZACIVSA-N 321.421 -0.036 30 20 DBED C#CCCCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CC(N)=O)C1 1048612499 GTPGZDFSKMLQEY-STQMWFEESA-N 323.393 -0.524 30 20 DBED N#CCN1C[C@H]2CN(C(=O)[C@@H]3CCCCS3(=O)=O)C[C@H]2C1 1048858942 RUKCVIGBFDWVMW-XQQFMLRXSA-N 311.407 -0.133 30 20 DBED Cn1nnc2cc(C(=O)N3C[C@@H]4CN(CC#N)C[C@@H]4C3)cnc21 1048939236 ACOPWNSZMIPSSB-TXEJJXNPSA-N 311.349 -0.109 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)CC(N)=O)C1 1049168938 RLKSAEAPEFOYCQ-AVGNSLFASA-N 323.393 -0.813 30 20 DBED CC#CCN1CCOC[C@@H]1CNC(=O)c1cccc(=O)n1C 1051102982 CZSREFQHJREMSC-ZDUSSCGKSA-N 303.362 -0.161 30 20 DBED CC#CCN1CCOC[C@@H]1CNC(=O)c1ccc(C(N)=O)cn1 1051265159 DBWIUKMOTDEVNH-ZDUSSCGKSA-N 316.361 -0.366 30 20 DBED C#CCN1CCN([C@H]2CCN(C(=O)[C@H]3CCNC(=O)C3)C2)CC1 1052011015 KKFRNVQTEVYGHI-GJZGRUSLSA-N 318.421 -0.636 30 20 DBED C=CCN1CCN([C@H]2CCN(C(=O)CCn3cnnn3)C2)CC1 1052101410 PWCDGSXTEXALGH-AWEZNQCLSA-N 319.413 -0.532 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)CC(=O)NC)C[C@H]1C 1052426642 CZGYYUQSEQYIKS-VXGBXAGGSA-N 311.382 -0.464 30 20 DBED Cc1c(CC(=O)N[C@H]2COC3(C2)CN(CC#N)C3)cnn1C 1053823144 FOXOHCYRNDHACP-CYBMUJFWSA-N 303.366 -0.246 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1COC2(C1)CN(CCOC)C2 1053832393 JTFMAZZKPBPEAA-CABCVRRESA-N 321.421 -0.310 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)[C@@H]3CCCN(C(N)=O)C3)CO2)C1 1053864499 CFGMWNCXXCUDQV-OLZOCXBDSA-N 320.393 -0.630 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)c3ccnc4[nH]nnc34)CO2)C1 1053867364 JFYYNIGZXYQFHY-JTQLQIEISA-N 312.333 -0.441 30 20 DBED C=CCN1CC2(C[C@H](NC(=O)[C@H]3CCCS3(=O)=O)CO2)C1 1054013161 PJIQUDDTANPHGB-NWDGAFQWSA-N 314.407 -0.291 30 20 DBED C=CCCOCC(=O)N1C[C@@H]2CN(C(=O)CNC(N)=O)C[C@@H]2C1 1055154503 GZQCAPDCUHVKHD-TXEJJXNPSA-N 324.381 -0.836 30 20 DBED C=CCOCCCC(=O)N1C[C@H]2CN(C(=O)CC(N)=O)C[C@H]2C1 1055263417 FBBPVURLHAIRQQ-BETUJISGSA-N 323.393 -0.239 30 20 DBED C[C@@H](C#N)C(=O)N[C@@]1(CO)CCCN(C(=O)CCCN(C)C)C1 1056095910 FHRQYEADNUBRLE-BBRMVZONSA-N 324.425 -0.042 30 20 DBED N#Cc1cncc(N2C[C@H]3[C@H](NC(=O)c4cc[n+]([O-])cc4)[C@H]3C2)n1 1056101093 ZXYKOQFSGZXGOC-NHAGDIPZSA-N 322.328 -0.154 30 20 DBED C=CCCOCC(=O)N1CC[C@@H]2[C@H]1CCCN2C(=O)C(N)=O 1056537125 GWSQGWPZAIAXHM-VXGBXAGGSA-N 309.366 -0.344 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H]2CN(C(=O)CCNC(N)=O)C[C@H]21 1056712209 QKNMHLMDNDVOQU-GRYCIOLGSA-N 321.381 -0.346 30 20 DBED C=CCCO[C@H](C)C(=O)NCCN(CCO)C(=O)c1cn[nH]c1 1057073807 GXRWMBKTVHUQJX-GFCCVEGCSA-N 324.381 -0.058 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1057516956 DZAKMSNHSLNUAL-VXGBXAGGSA-N 311.338 -0.752 30 20 DBED C#CCOCCC(=O)N(CCO)CCNC(=O)c1cc[nH]c1 1057584090 DUWHRVYAUURTGJ-UHFFFAOYSA-N 307.350 -0.395 30 20 DBED C=CCCOCC(=O)NCCN(CCO)C(=O)c1nc(C)c[nH]1 1057708739 CWRVVWHZUVKBSE-UHFFFAOYSA-N 324.381 -0.138 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)CC[C@H]1CCCN1C 1057966782 RNAQWENXTOMDCQ-ZIAGYGMSSA-N 324.425 -0.042 30 20 DBED Cc1cnc(C(=O)NCCN(CCO)C(=O)[C@H](C)C#N)cn1 1058652587 AUYWWACLCUFNTN-SNVBAGLBSA-N 305.338 -0.505 30 20 DBED CN1CC[C@H](C(=O)N[C@H]2C[C@H](N=c3cc[nH]cc3C#N)C2)C1=O 1059377081 OSERIGMWNJCYFJ-JHJVBQTASA-N 313.361 -0.087 30 20 DBED C#CCCCC(=O)NCC[C@H]1CCN(C(=O)c2nnn(C)n2)C1 1060147356 RIKJIJWXKOIAEQ-LBPRGKRZSA-N 318.381 -0.018 30 20 DBED N#Cc1nc(=NC[C@@H]2CCN(C(=O)[C@@H]3COC(=O)N3)C2)cc[nH]1 1060865141 LKHVFXGAKFPVMX-UWVGGRQHSA-N 316.321 -0.861 30 20 DBED N#Cc1nccnc1N1CCC[C@H]1CNC(=O)[C@@H]1CCNC1=O 1061422169 CAKWEBAXDYGSQI-WDEREUQCSA-N 314.349 -0.431 30 20 DBED N#Cc1nccc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)[C@@H]2[C@H]3COC[C@H]32)n1 1064323377 STHJTQPGTGFOOW-QUVUXRKSSA-N 311.345 -0.066 30 20 DBED N#CCSCC(=O)N1CCO[C@H](CNC(=O)C(F)F)C1 1064881127 OHHDATIJXCQWIH-MRVPVSSYSA-N 307.322 -0.148 30 20 DBED C=CCO[C@H](C)C(=O)NC[C@H]1CN(C(=O)c2cn[nH]c2)CCO1 1064899667 AQRWWJDRYBWHQB-YPMHNXCESA-N 322.365 -0.042 30 20 DBED C=CCOCC(=O)N1CCO[C@H](CNC(=O)[C@@]23COC[C@@H]2C3)C1 1064974355 RIBJWDJQNQMRIW-ZENOOKHLSA-N 324.377 -0.431 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CN(C(=O)CCc2cnc[nH]2)CCO1 1065271750 WTDZWKNGJQQBFM-WCQYABFASA-N 319.365 -0.154 30 20 DBED Cc1nonc1C(=O)N1CCO[C@@H](CNC(=O)C#CC2CC2)C1 1065304821 BBYJXQDPKSZOGO-LBPRGKRZSA-N 318.333 -0.251 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@H]1CN(C(=O)c2nc[nH]n2)CCO1 1065447022 LROAFMLGPMZSKR-QMTHXVAHSA-N 323.353 -0.911 30 20 DBED CC#CCCCC(=O)NC[C@H]1CN(C(=O)c2nc[nH]n2)CCO1 1065448827 CYRQRKBHEVTNCY-LBPRGKRZSA-N 319.365 -0.045 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCCN(C)C(=O)CNC(=O)C1CC1 1066925043 PXOPMJCIAHZNEF-NSHDSACASA-N 308.382 -0.021 30 20 DBED N#Cc1nc(=NCC2(O)CCN(C(=O)C3CC3)CC2)cc[nH]1 1067461217 JCTJAVMPKINPLZ-UHFFFAOYSA-N 301.350 -0.054 30 20 DBED C=CCO[C@@H](C)C(=O)N(C)CCCN(C)C(=O)Cn1ncnn1 1067486273 FEUXOIIHJWTMLJ-LBPRGKRZSA-N 324.385 -0.429 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](CNC(=O)c3ccnnc3)C2)nc1 1067694451 ZWVMGKZGKFZYAL-KGLIPLIRSA-N 324.344 -0.030 30 20 DBED N#Cc1nc(=NC[C@H]2C[C@H](NC(=O)[C@H]3CCC(=O)N3)C2)cc[nH]1 1068460876 YRUAEABJAODUSK-GMTAPVOTSA-N 314.349 -0.645 30 20 DBED CNC(=O)CC(=O)N1CC2(CC[C@@H](CNC(=O)[C@H](C)C#N)O2)C1 1068619997 FTACQTQJEJBLLT-MNOVXSKESA-N 322.365 -0.842 30 20 DBED C[C@@H]1[C@@H](Nc2cnc(C#N)cn2)CCN1C(=O)CS(C)(=O)=O 1068775410 XPGOYCKREWCEAM-KOLCDFICSA-N 323.378 -0.206 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1COC2(C1)CN(C(=O)c1cc[nH]n1)C2 1069004568 XCQJZTMBORJWJB-UWVGGRQHSA-N 303.322 -0.331 30 20 DBED C=CCC1(C(=O)N[C@@H]2COC3(C2)CN(C(=O)C(N)=O)C3)CCC1 1069018822 LQPFHZKTYYZTNE-NSHDSACASA-N 321.377 -0.296 30 20 DBED C#CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2csnn2)C1 1069990626 ZEATXFGGEVTKOC-PWSUYJOCSA-N 317.378 -0.192 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CCCN(C(=O)CCN2CCOCC2)C1 1070986374 KWPOGDVXONQJOZ-UONOGXRCSA-N 322.409 -0.024 30 20 DBED C[C@@H]1CN(C(=O)c2cnnn2C)C[C@]2(CCN(CC#N)C2)O1 1071166907 PPDCHHIQXIFUEU-BXUZGUMPSA-N 304.354 -0.356 30 20 DBED C[C@H]1CN(C(=O)Cc2nc[nH]n2)C[C@@H]1NC(=O)C#CC1CC1 1072777707 HJGAKHTZLBKIRO-JQWIXIFHSA-N 301.350 -0.276 30 20 DBED C=CCCN1CCO[C@H]2CCN(C(=O)Cn3ncnn3)C[C@@H]21 1074241174 CWTZCPVWFJXYBJ-STQMWFEESA-N 306.370 -0.449 30 20 DBED C[C@@H]1C[C@H](NC(=O)C#CC2CC2)CCN1C(=O)Cn1ncnn1 1074982699 WIADWHKFDNDLLX-DGCLKSJQSA-N 316.365 -0.418 30 20 DBED C=CCOCC(=O)NCC[C@H](C)NC(=O)c1nccnc1N 1075917659 CWDWYXSDPKGYBR-JTQLQIEISA-N 307.354 -0.114 30 20 DBED C=C(C)CCC(=O)NCC[C@H](C)NC(=O)CN1CC(=O)NC1=O 1076794806 TZGZIQBMABSKRB-NSHDSACASA-N 324.381 -0.095 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN(CCN3CCNC3=O)C[C@H]2O)C1 1077641911 NPWOJUSSDRRXMD-CHWSQXEVSA-N 322.409 -0.471 30 20 DBED Cn1cnc2ccc(C(=O)N[C@@H]3CN(CC#N)C[C@H]3O)nc21 1077671921 KQEACTJERMCOLZ-VXGBXAGGSA-N 300.322 -0.733 30 20 DBED C#CCOCCC(=O)N(C)[C@@H]1CCCN(C(=O)CC(N)=O)CC1 1078959824 OPYJSRIAJVDGFR-CYBMUJFWSA-N 323.393 -0.259 30 20 DBED C=CCOCC(=O)N1CC(N(CC)C(=O)c2[nH]nnc2C)C1 1080205714 PBJFPXHDFRWETA-UHFFFAOYSA-N 307.354 -0.011 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)[C@@H]2CCNC2=O)C1 1080214747 QGDZYZWLWIAVDI-WCQYABFASA-N 321.377 -0.780 30 20 DBED C[C@H](C#N)C(=O)NC1(CO)CCN(C(=O)c2csnn2)CC1 1080983506 PHTIINXHRMNBRL-SECBINFHSA-N 323.378 -0.219 30 20 DBED C=CCCOCC(=O)N1C[C@H](CNC(=O)c2cocn2)[C@@H](O)C1 1081340598 FKPLJPARGKEXCN-AAEUAGOBSA-N 323.349 -0.184 30 20 DBED C=CCCO[C@H](C)C(=O)NC[C@@H]1CCCCN1C(=O)C(N)=O 1082264710 LTKQDELEUKQABM-NEPJUHHUSA-N 311.382 -0.050 30 20 DBED C=CCN1C[C@@H](NC(=O)[C@H]2COCCN2C(C)=O)[C@H](OC)C1 1082377077 BOCNGSRGZFPZJZ-MGPQQGTHSA-N 311.382 -0.765 30 20 DBED CCC(=O)N1CC[C@@H](C(=O)N2CCO[C@@H]3CN(CC#N)C[C@@H]32)C1 1083242531 MFHHDPRAGVBTKX-HZSPNIEDSA-N 320.393 -0.320 30 20 DBED Cc1cc(NC(=O)C(=O)N2C[C@H]3CCN(CC#N)C[C@H]32)no1 1084828141 OTCYJWWWHHSIQN-GHMZBOCLSA-N 303.322 -0.022 30 20 DBED N#CCN1C[C@H]2CC[C@H]1[C@H]1CN(C(=O)CCn3cnnn3)C[C@@H]21 1087399862 YLAXTCOZTAOBSF-RFGFWPKPSA-N 315.381 -0.244 30 20 DBED C#CCCN1CC[C@H](NC(=O)CN2CCN(C)C(=O)C2)[C@H]1CC 1087629676 BRLCBOYQVGHQJX-LSDHHAIUSA-N 320.437 -0.247 30 20 DBED N#CCN1CC[C@H](NC(=O)c2cc3c(cn2)OCCO3)[C@@H](O)C1 1090329716 LUQRGBDLQUEVHO-JQWIXIFHSA-N 318.333 -0.459 30 20 DBED N#CCN1CC[C@@H](NC(=O)Cc2cn3ccccc3n2)[C@@H](O)C1 1090359665 DBCAPNWLXKUMRK-KGLIPLIRSA-N 313.361 -0.048 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(c2ncc(F)cn2)C[C@H]1O 1090408642 YNKYIVZJYOJAOJ-JTNHKYCSSA-N 310.329 -0.392 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2c(O)nnc(C)c2C)[C@@H](O)C1 1090480240 RVOJFAUACWWLLT-STQMWFEESA-N 318.377 -0.013 30 20 DBED CO[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1NC(=O)[C@@H](C)C#N 1090865702 WQJQFFVGYBLODD-MVWJERBFSA-N 300.322 -0.172 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(c2nccnc2F)C[C@@H]1O 1091118699 UCPHGWWMECUAPM-MNOVXSKESA-N 310.329 -0.126 30 20 DBED C=C(C)CCC(=O)N[C@@H]1CN(c2ccc3nnnn3n2)C[C@@H]1O 1091152404 SWVJSEMRIIEQAM-MNOVXSKESA-N 317.353 -0.459 30 20 DBED CC(=O)N(C)CC(=O)N1CCN(c2cnc(C#N)cn2)CC1 1093146121 ZIIMKVWLAAHINA-UHFFFAOYSA-N 302.338 -0.525 30 20 DBED N#Cc1cnc(N2C[C@@H]3C(NC(=O)CCc4nc[nH]n4)[C@H]3C2)cn1 1093238909 HFUCOVFZQGWWLD-QWRGUYRKSA-N 324.348 -0.350 30 20 DBED C=CCCN1CC(OC2CCN(C(=O)Cn3cnnn3)CC2)C1 1093505576 MRTVZGIKWHCFKW-UHFFFAOYSA-N 320.397 -0.059 30 20 DBED CN1CCO[C@@H](C(=O)NCCNc2ncc(C#N)cc2F)C1 1093543037 YSPDLISYTHZASS-GFCCVEGCSA-N 307.329 -0.049 30 20 DBED N#Cc1c[nH]ccc1=NCCNC(=O)CCn1cnccc1=O 1093837245 BFOLGKGTFWNWLT-UHFFFAOYSA-N 312.333 -0.450 30 20 DBED N#Cc1nc(NCCNC(=O)Cn2ncnn2)sc1Cl 1093889967 QPPAOKPEVMPJAK-UHFFFAOYSA-N 312.746 -0.117 30 20 DBED N#Cc1ccc(NCCNC(=O)CCN2C(=O)CCC2=O)nn1 1093975808 BQTZCALWRYMKGI-UHFFFAOYSA-N 316.321 -0.585 30 20 DBED N#Cc1nc(=NCCNC(=O)CNC(=O)C2CCCC2)cc[nH]1 1094182335 ZQCWQYPHXLHEEE-UHFFFAOYSA-N 316.365 -0.395 30 20 DBED COCC(=O)N(C)CC(=O)NCCN=c1cc(C)[nH]cc1C#N 1094192776 AUBFKQDWCOLWOV-UHFFFAOYSA-N 319.365 -0.684 30 20 DBED C#CCCN1CC(N2C[C@H](NC(=O)c3cc(C)[nH]n3)CC2=O)C1 1094712684 YWTUHYJCGILOEJ-GFCCVEGCSA-N 315.377 -0.244 30 20 DBED Cn1ccc(C(=O)N[C@@H]2CC(=O)N(C3CN(CC#N)C3)C2)c1 1094728549 YUVDBBILUKYWKH-GFCCVEGCSA-N 301.350 -0.436 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)[C@@H]3[C@H]4COC[C@H]43)CC2=O)C1 1094770508 CNNTZQIOVSKKBO-MUYACECFSA-N 305.378 -0.534 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)C[C@@H]3CCCOC3)CC2=O)C1 1094818193 YRTFDTXTXKNGMN-KBPBESRZSA-N 319.405 -0.162 30 20 DBED N#Cc1cnc(N2CCCN(C(=O)CCNC(N)=O)CC2)cn1 1095181082 RCFYKFRAXOSAKQ-UHFFFAOYSA-N 317.353 -0.555 30 20 DBED CC(=O)NCC(=O)N[C@H]1CCCN(c2ccnc(C#N)n2)C1 1096132968 LQNOOZBSSZKFQT-NSHDSACASA-N 302.338 -0.431 30 20 DBED C[C@H](CNC(=O)[C@@H]1CCS(=O)(=O)C1)N=c1cc[nH]c(C#N)n1 1098137175 WEADXXAEAPYNHQ-NXEZZACHSA-N 323.378 -0.879 30 20 DBED C#CCN(CCO)C1CCN(C(=O)C(=O)NCC2CC2)CC1 1098514145 JUAVEXXTCWYJAK-UHFFFAOYSA-N 307.394 -0.569 30 20 DBED C=CCCC(=O)N1CC[C@H](n2cc(CN[C@@H](C)C(N)=O)nn2)C1 1098634426 RZCHKCFYNZINRN-AAEUAGOBSA-N 320.397 -0.019 30 20 DBED C[C@H](CCNC(=O)[C@H]1CCNC1=O)N=c1cc[nH]c(C#N)n1 1099617265 SPGITICTXVGVAC-NXEZZACHSA-N 302.338 -0.787 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2cncnc2C)[C@H](O)C1 1099701831 KEDYZTCHIJWKCX-HUUCEWRRSA-N 318.377 -0.400 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(Cc2ncnn2CC)C[C@H]1O 1099741280 QLJKJMUQUBCSAQ-QWHCGFSZSA-N 323.397 -0.448 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)COCc2ncnn2C)[C@H](O)C1 1100058554 VZFUYVSZNCDJFW-CHWSQXEVSA-N 323.397 -0.541 30 20 DBED CC(=O)N1CC(C(=O)NCCN(C)c2cnc(C#N)cn2)C1 1100077556 MTXRJXOTFWGKAY-UHFFFAOYSA-N 302.338 -0.621 30 20 DBED C=C(Cl)CN1CC[C@H](NC(=O)CCNC(N)=O)[C@@H](O)C1 1100103603 OSUCWHAAAWSVJQ-UWVGGRQHSA-N 304.778 -0.651 30 20 DBED C=CCN1CC[C@@H](NC(=O)CCCN2C(=O)CNC2=O)[C@@H](O)C1 1100103998 VIIAROTTWQGEHI-NEPJUHHUSA-N 324.381 -0.944 30 20 DBED COCC#CCNC1CC(CNC(=O)c2cn(C)c(=O)cn2)C1 1100520121 QHRUJSDHGVXSSA-UHFFFAOYSA-N 318.377 -0.472 30 20 DBED C=CCNC(=O)[C@H](C)NC1CC(CNC(=O)CC(=O)N(C)C)C1 1100740033 AMNZUBXPQNEBNJ-HIFPTAJRSA-N 324.425 -0.360 30 20 DBED CCN1CCO[C@H](C(=O)N(C)CCN=c2cc[nH]c(C#N)n2)C1 1101638015 JJUSDHNBTFMVBO-LBPRGKRZSA-N 318.381 -0.639 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@@H](C)[C@H](CNC(=O)CNC(C)=O)C1 1101686397 VSVZZIWYTVOILL-YRGRVCCFSA-N 324.425 -0.503 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](C)[C@H](CNC(=O)CC(C)(C)O)C1 1101925912 HAVWNFXSLAJQSM-HZSPNIEDSA-N 323.437 -0.031 30 20 DBED COCC#CCN1C[C@@H](C)[C@H](CNC(=O)[C@@]2(C)CCNC2=O)C1 1102364738 ZHEYNTVWRRSADR-CPUCHLNUSA-N 321.421 -0.154 30 20 DBED CC(=O)NCC(=O)N(C)[C@@H]1CCN(c2nc(C)cc(C#N)n2)C1 1102670124 RDYDPCZGXFPFDL-CYBMUJFWSA-N 316.365 -0.170 30 20 DBED C[C@@](CNc1ccc(C#N)nn1)(NC(=O)CNC(N)=O)C1CC1 1103481481 QMIJLFRDKBNNFP-AWEZNQCLSA-N 317.353 -0.287 30 20 DBED C=CCOCC(=O)N(C)[C@H](C)CNc1nccn2nnnc12 1104496019 GOPPTAPTLAZNDI-SNVBAGLBSA-N 305.342 -0.019 30 20 DBED CNC(=O)NCCC(=O)N(C)[C@@H](C)CNc1cnc(C#N)cn1 1104547435 WONWENOSTLUDAT-JTQLQIEISA-N 319.369 -0.074 30 20 DBED Cc1ncncc1C(=O)NC[C@@H](O)CN=c1cc[nH]cc1C#N 1105723073 GSJPVVFAVSLIHV-LBPRGKRZSA-N 312.333 -0.324 30 20 DBED CCCCO[C@H](C)C(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1 1105738160 PUJCTCIBTFCMDT-VXGBXAGGSA-N 321.381 -0.136 30 20 DBED C=CCOCC(=O)NC[C@H](O)CNc1nc(C)cc(OC)n1 1105748270 SNTQETMWJKTIMX-NSHDSACASA-N 310.354 -0.115 30 20 DBED COCCOCC(=O)NC[C@@H](O)CNc1ccc(C#N)cn1 1105773080 BZQIXMDFTMQQJW-LBPRGKRZSA-N 308.338 -0.495 30 20 DBED C[C@@H](C(=O)NC[C@H](O)CN=c1cc[nH]cc1C#N)n1cncn1 1105828213 AWMHOGMAIWHJDU-CMPLNLGQSA-N 315.337 -0.883 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)[C@@H](CC)OC)C[C@H]1C 1105907036 VBZGCQVVUOLXEF-MGPQQGTHSA-N 309.410 -0.155 30 20 DBED CN(C)CCCCC(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1 1105908540 SNADDALIESUPEC-LBPRGKRZSA-N 320.397 -0.609 30 20 DBED CC[C@H](C(=O)NC[C@H](O)CN=c1cc(C)[nH]cc1C#N)N(C)C 1105925625 DJVSWRUDBDYGBE-UKRRQHHQSA-N 319.409 -0.087 30 20 DBED N#Cc1cccnc1NC[C@H](O)CNC(=O)CCCCC(N)=O 1105958068 UMRIDAWZMHAUHQ-GFCCVEGCSA-N 319.365 -0.112 30 20 DBED C=CCNC[C@@H]1CN(C(=O)CC[C@H]2NC(=O)NC2=O)C[C@H]1C 1106962657 OLOZARJNKNAEBV-IJLUTSLNSA-N 308.382 -0.155 30 20 DBED C[C@@H](C(=O)NC/C=C\CN=c1cc[nH]c(C#N)n1)n1cncn1 1107162802 UYKXSTCWECNTCB-QUCGXOGASA-N 312.337 -0.293 30 20 DBED Cc1cc(=NC[C@@H](C)NC(=O)[C@@H]2COCCN2C)c(C#N)c[nH]1 1107694342 OINYYZGTUGQXLF-DOMZBBRYSA-N 317.393 -0.069 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)c1nc2ncccn2n1 1108479578 GIJJTWKSZXNFLA-VIFPVBQESA-N 323.320 -0.562 30 20 DBED C=C(C)CCC(=O)N[C@@H]1CC(=O)N(C2CN(CC(N)=O)C2)C1 1108548788 WSBYGOZCBUSYTK-LLVKDONJSA-N 308.382 -0.771 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1CC(=O)N(C2CN([C@@H](C)C(N)=O)C2)C1 1108560846 OIELNCNINYDQRO-WDEREUQCSA-N 322.409 -0.526 30 20 DBED C[C@@H](CN(C)c1cnc(C#N)cn1)NC(=O)[C@H](C)NC(N)=O 1108915885 URBJJNXWHXYLBC-IUCAKERBSA-N 305.342 -0.654 30 20 DBED Cc1ccc(C#N)c(N(C)C[C@H](C)NC(=O)[C@@H]2CNC(=O)N2)n1 1109210523 BYRPMYXRWZPFQC-JQWIXIFHSA-N 316.365 -0.116 30 20 DBED C[C@H](CN(C)c1ncc(C#N)cc1F)NC(=O)[C@H]1CNC(=O)N1 1109210961 MRMZIQYXXNVDLS-LDYMZIIASA-N 320.328 -0.285 30 20 DBED CCC(=O)NCC(=O)NCC1(Nc2ccnc(C#N)n2)CC1 1110086708 ODGUKUUOOYKYKF-UHFFFAOYSA-N 302.338 -0.065 30 20 DBED C#CCNC(=O)CC(=O)N[C@@]1(C)CCN(c2nccnc2F)C1 1110742157 XDVVRWVRQDILEG-HNNXBMFYSA-N 319.340 -0.160 30 20 DBED N#Cc1nccc(N2CCC(F)(F)[C@@H](CNC(=O)C(N)=O)C2)n1 1111014155 OTPCRIGDYQHHPM-QMMMGPOBSA-N 324.291 -0.589 30 20 DBED CC[C@H](C)OCC(=O)N(CCO)CCN=c1cc[nH]c(C#N)n1 1111462604 FKQHWLUCPSUINO-LBPRGKRZSA-N 321.381 -0.182 30 20 DBED C=C[C@](C)(O)CC(=O)N(CCO)CCN=c1cc[nH]cc1C#N 1111466888 MKWXHJBGEYPFMC-INIZCTEOSA-N 318.377 -0.065 30 20 DBED C=CCN1CCC2(CC1)CN(C(=O)CNC(N)=O)C[C@@H](C)O2 1111535182 JZSQUGRBLSWHCY-GFCCVEGCSA-N 310.398 -0.077 30 20 DBED C[C@H]1CN(c2ccc(C#N)nn2)CC[C@H]1NC(=O)CNC(N)=O 1112392522 ICQKJCJGJWCLIM-GXSJLCMTSA-N 317.353 -0.652 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 1112966187 VBBXKWMRRXAYAG-HNNXBMFYSA-N 306.410 -0.780 30 20 DBED C=CCO[C@H](C)C(=O)N1CCN(CCN2C(=O)CNC2=O)CC1 1113713499 RRERZEVWZWYEGM-GFCCVEGCSA-N 324.381 -0.727 30 20 DBED C[C@@H](CNC(=O)C1CS(=O)(=O)C1)N(C)c1ccc(C#N)nn1 1113733842 NNWKBXJGYUIRQC-VIFPVBQESA-N 323.378 -0.666 30 20 DBED C[C@H](CNC(=O)[C@H]1CNC(=O)N1)N(C)c1ncccc1C#N 1113870377 XRFXALJTDJTVEM-MWLCHTKSSA-N 302.338 -0.424 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)CSCC#N)[C@@H]2C1 1113890428 AHPAZAKTCOYBBG-GHMZBOCLSA-N 308.407 -0.408 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)C[C@@H]3CCCO3)[C@H]2C1 1113925659 QQCIYEBJAUWYNW-BCUIYNNISA-N 307.394 -0.096 30 20 DBED N#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3ncccc3O)[C@H]2C1 1114165006 ZLLBFQCQKBKUKR-UWVGGRQHSA-N 315.333 -0.913 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)c3coc(C)c3)[C@@H]2C1 1114174337 RIFBPLNMUXYLMS-CHWSQXEVSA-N 301.346 -0.003 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)C[C@@](C)(O)C=C)[C@@H]2C1 1114193896 ISWFKHJAUHYGCK-HSMVNMDESA-N 305.378 -0.891 30 20 DBED COCCCNC(=O)CN1C[C@H]2C(NC(=O)C#CC(C)C)[C@@H]2C1 1114239316 DNJDIQFGWUDRAD-ZIAGYGMSSA-N 321.421 -0.155 30 20 DBED C=CCCCN1C[C@H]2C(NC(=O)CNS(=O)(=O)NC)[C@@H]2C1 1114624242 NXQOHVWGLUYFKI-GHMZBOCLSA-N 316.427 -0.947 30 20 DBED C=CCOCCN1C[C@@H]2C(NC(=O)CCN3CCOCC3)[C@H]2C1 1114980429 RAFNPEBTCYOTHD-GJZGRUSLSA-N 323.437 -0.042 30 20 DBED C=CCCS(=O)(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 1116289175 RMAUTKDGVMDSBY-SNVBAGLBSA-N 324.424 -0.825 30 20 DBED C#CCN1CCN(Cn2nc(-c3cnn(C)c3)ccc2=O)CC1 1116838112 VOYMYDYWVFPKKM-UHFFFAOYSA-N 312.377 -0.148 30 20 DBED C[C@@]1(CO)CCCN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)C1 1118185341 ZIQUHTIWQGGTAC-CABCVRRESA-N 309.366 -0.516 30 20 DBED Cn1cc(C(=O)NC[C@@H](CO)Nc2cncc(C#N)n2)cn1 1121023015 BHOVRAJMMZHEEH-NSHDSACASA-N 301.310 -0.715 30 20 DBED N#Cc1nc(=N[C@@H](CO)CNC(=O)/C=C\c2ccco2)cc[nH]1 1121129598 VKKNBXRUUNPAFY-DLRQAJBASA-N 313.317 -0.034 30 20 DBED Cc1nnc(CC(=O)NC[C@H](CO)Nc2ccc(C#N)cn2)o1 1121432132 IVILJABZKVMEED-LLVKDONJSA-N 316.321 -0.224 30 20 DBED N#Cc1nc(=N[C@H](CO)CNC(=O)[C@H]2CCCOCC2)cc[nH]1 1121498657 XNBHVQICROBAER-RYUDHWBXSA-N 319.365 -0.524 30 20 DBED CC(C)[C@H](C(=O)NC[C@H](CO)Nc1cnc(C#N)cn1)N(C)C 1121838228 GKOIZPGTACNVJV-TZMCWYRMSA-N 320.397 -0.177 30 20 DBED CC[C@H](NC(C)=O)C(=O)NC[C@H](CO)Nc1ncccc1C#N 1122644938 QXYCZFIYPQSVKK-OLZOCXBDSA-N 319.365 -0.243 30 20 DBED N#CCSCC(=O)NCCNCC[C@H]1CCS(=O)(=O)C1 1123792144 KFDSXXUANUBUEL-NSHDSACASA-N 319.452 -0.226 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]cc1C#N)C(=O)[C@@H]1[C@H]2COC[C@H]21 1124654486 QIAOSTPRKCVROW-RMRHIDDWSA-N 316.361 -0.501 30 20 DBED O=C(C#CC1CC1)NCCNCc1nnnn1CC(F)(F)F 1126875454 HUNKTTOCYKBTRC-UHFFFAOYSA-N 316.287 -0.145 30 20 DBED C[C@H](CC(N)=O)C(=O)N(C)C1CC(N=c2cc[nH]c(C#N)n2)C1 1127058588 SUVZCBOXOLYIDD-KPPDAEKUSA-N 316.365 -0.317 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)Cc1ccn(CC)n1 1127731356 NVAHSYOLCAVTQL-LBPRGKRZSA-N 307.398 -0.158 30 20 DBED C#CCO[C@H](C)C(=O)NCc1cnn2c1CN(CCCO)CC2 1128362285 DNMDBHIRBUZNGE-CYBMUJFWSA-N 320.393 -0.264 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@@H](F)CN(CC)CC 1128543468 DFGZJOJJZLMNSI-STQMWFEESA-N 314.405 -0.490 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1snnc1C1CC1 1129933572 RQTRMJKWLYZSSR-SECBINFHSA-N 321.406 -0.127 30 20 DBED C=CCCOCC(=O)N1C[C@H](n2ccnn2)[C@H](NCCO)C1 1130150809 AKCLFUYHGWAKSG-OLZOCXBDSA-N 309.370 -0.795 30 20 DBED C=C(Br)CNCCNC(=O)C(=O)NCC(F)F 1130650927 SGHOIJHBUDVNPL-UHFFFAOYSA-N 314.130 -0.018 30 20 DBED C[C@H](C#N)C(=O)NCc1nc([C@@H]2COCCN2CCCO)n[nH]1 1130839799 PKPOKZYDCIQFMF-MNOVXSKESA-N 322.369 -0.664 30 20 DBED N#CCNC(=O)CNCCNC(=O)[C@]12CCCC[C@@H]1OCC2 1131211381 CUBCZYHGQOMRLN-WFASDCNBSA-N 308.382 -0.319 30 20 DBED CC(C)C#CC(=O)N1C[C@@H]2C[C@@H]3CN([C@H](C)C(N)=O)C[C@]2(C1)O3 1131230351 JBWSHNBIMTWGTI-UMPJEAMMSA-N 319.405 -0.179 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)Cn2cnnn2)CC[C@@H]1C 1132618325 SXSBCYDVHKHUIU-UONOGXRCSA-N 320.397 -0.603 30 20 DBED C#CCNC[C@@H]1CN(C(=O)Cn2ccc(O)nc2=O)CC[C@H]1C 1132959603 NNKPMRHFHWJEJH-CHWSQXEVSA-N 318.377 -0.344 30 20 DBED C#CCNC[C@H]1CN(C(=O)c2cn(C)c(=O)nc2O)CC[C@@H]1C 1133315598 VNQOVHFECRUZLI-RYUDHWBXSA-N 318.377 -0.193 30 20 DBED C=CCCn1cc(C(=O)NCCNCc2ncnn2C)nn1 1135071522 GTMAPEMNRDEQDE-UHFFFAOYSA-N 304.358 -0.498 30 20 DBED C[C@@H](C[C@H](C)NC(=O)C(=O)NCC1CC1)NCC(=O)NCC#N 1135788937 NCDZHAZUZJBDSP-QWRGUYRKSA-N 323.397 -0.975 30 20 DBED CC#CCN(CC)[C@H](C)CNC(=O)c1cn(C)c(=O)n(C)c1=O 1155607360 NRUIUKKCUFGFKQ-GFCCVEGCSA-N 320.393 -0.453 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)[C@H]1CCN(C)C(=O)C1 1161155610 HPIBUOZEZHLXLU-STQMWFEESA-N 324.425 -0.359 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@]1(COC)CCOC1 1163379518 FNSLDBSMRVHUFI-HNNXBMFYSA-N 313.398 -0.562 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)c1[nH]c(C)nc1C 1166891275 ADAKOPIJUXFMJP-LLVKDONJSA-N 305.382 -0.126 30 20 DBED C=C(Cl)CNCCCNC(=O)Cn1ncn2nccc2c1=O 1167542585 YJZHOAFYQCDQKS-UHFFFAOYSA-N 324.772 -0.261 30 20 DBED C=CCNC(=O)CNCCCNC(=O)C(C)(C)CNC(C)=O 1168148749 NIKXRIMPFXRDNW-UHFFFAOYSA-N 312.414 -0.453 30 20 DBED COCC#CCNCCCC[C@@H](C)NC(=O)Cn1cnnn1 1169053501 FCZGOUQEBJEOGD-CYBMUJFWSA-N 308.386 -0.413 30 20 DBED CC#CCN1CCO[C@H]2CCN(C(=O)CC(=O)N(C)C)C[C@@H]21 1177106996 LGRKRVLJKGKGTG-KBPBESRZSA-N 307.394 -0.210 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CCN(C)[C@@H]2C)[C@H]1C 1178731149 MNPRYTYALWWCOJ-BARDWOONSA-N 320.437 -0.345 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H](NCC(=O)NCC)[C@@H]2C)nn1 1179673973 DOPMXUMTWHJJBF-RYUDHWBXSA-N 320.397 -0.207 30 20 DBED Cc1nc(C)c(C(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)o1 1181822820 UQTRGUATPOPMDZ-LLVKDONJSA-N 305.338 -0.265 30 20 DBED C=CCNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CC23CC3)C1 1185890323 XZCBMQAKPGONIF-VXGBXAGGSA-N 320.393 -0.011 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2ccccn2)C1 1188627061 WUDTULRVNRLFMR-ZDUSSCGKSA-N 300.362 -0.023 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2ccc(O)nn2)C1 1188727306 UOUBSMSDSPXIFU-NSHDSACASA-N 317.349 -0.922 30 20 DBED C=CCN1CC[C@H](N(C)[C@@H]2CCN(C(=O)CC(=O)NC)C2)C1=O 1189846461 DZSIBVQRWJSUQD-OLZOCXBDSA-N 322.409 -0.558 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)CC2(O)CCC2)C1 1190013306 BWBPFOPPJSIKAH-CYBMUJFWSA-N 307.394 -0.426 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@H](N(C)CC(=O)NC2CC2)C1 1190093743 ANGCZUPJSRCRIO-JSGCOSHPSA-N 307.394 -0.164 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)CO[C@@H]2CCOC2)C1 1190122019 UXXUWMCJFMMVJK-UONOGXRCSA-N 323.393 -0.926 30 20 DBED COc1cncc(CN2C[C@@H](O)[C@H](NC(=O)[C@H](C)C#N)C2)n1 1191872384 IXALUHDNRNYDQG-YUSALJHKSA-N 305.338 -0.694 30 20 DBED COCC#CCN(C)[C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 1192378164 TUDKSYJUWSSHEM-KFWWJZLASA-N 321.421 -0.107 30 20 DBED C#CCN(C)[C@@H]1CCN(C(=O)[C@@H](NC(=O)COC)C(C)C)C1 1192723458 KDIPPNAMRRPIDU-HIFRSBDPSA-N 309.410 -0.061 30 20 DBED CCc1cnc(CC(=O)N[C@@H]2CN(CC#CCOC)C[C@H]2O)[nH]1 1193875304 NFHDWQZIKVDCMN-ZIAGYGMSSA-N 320.393 -0.674 30 20 DBED CN(CC#N)[C@H]1CCN(C(=O)CCNC(=O)[C@@H]2CCCO2)C1 1194494684 WYRVWRUNAYSVTH-STQMWFEESA-N 308.382 -0.272 30 20 DBED COCC#CCNC[C@H]1CN(C(=O)c2cnn(C)c2)CCCO1 1199797330 PUHRDZXOEPWKDF-HNNXBMFYSA-N 320.393 -0.109 30 20 DBED C[C@H](C#N)C(=O)N1CCC(NC[C@H](O)CN2CCCC2=O)CC1 1199827472 WHXFKRLTEKPNBL-OCCSQVGLSA-N 322.409 -0.290 30 20 DBED Cc1cc(CC(=O)N2CCC(NCC(=O)NCC#N)CC2)no1 1199861658 ZMZVJXFRBKLZQF-UHFFFAOYSA-N 319.365 -0.254 30 20 DBED N#CCNC(=O)CNC1CCN(C(=O)[C@H]2CCCCO2)CC1 1200078898 OFHKDVPHWMOIRQ-CYBMUJFWSA-N 308.382 -0.224 30 20 DBED C=CCOCC(=O)N1CCCO[C@@H](CNCc2cnnn2C)C1 1200109401 SDCRMKBYPHPIPJ-AWEZNQCLSA-N 323.397 -0.275 30 20 DBED C#CCCNC[C@H]1CN(C(=O)C[C@@H]2CCNC2=O)CCCO1 1200680129 KPNIDFQNVAAZGW-KBPBESRZSA-N 307.394 -0.257 30 20 DBED C#CCNC[C@@H]1CN(C(=O)c2c(C)ncnc2O)CCCO1 1201226444 XSBFZIMBGBOYOC-GFCCVEGCSA-N 304.350 -0.055 30 20 DBED COCC#CCNC[C@H]1CN(C(=O)c2ncccn2)CCCO1 1201694434 GKXNRZCCKWIIPX-AWEZNQCLSA-N 318.377 -0.053 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)c2[nH]nnc2C)CC1 1201924987 CYVZCZRMMJLCLF-UHFFFAOYSA-N 304.354 -0.943 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)c2ncccn2)CC1 1203021321 BPQIIJBVWXPQSH-UHFFFAOYSA-N 303.366 -0.027 30 20 DBED CC#CCN[C@@H]1C[C@@H](NC(=O)CN2C(=O)CNC2=O)C12CCC2 1203694741 KQFIJUGZXKCJNV-VXGBXAGGSA-N 318.377 -0.422 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)c1cncs1 1206268771 WTWAZFANCQYAOU-NXEZZACHSA-N 307.379 -0.167 30 20 DBED Cc1cnn(CC(=O)N2CCC[C@H](NCC(=O)NCC#N)C2)c1 1207549090 DQBBXXIHWMCQHE-ZDUSSCGKSA-N 318.381 -0.588 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCCN(C(=O)CC(=O)NCC)C1 1207878773 YZFYEROLEPOZKZ-STQMWFEESA-N 322.409 -0.769 30 20 DBED CO[C@@H]1CN(Cc2cnn(C)n2)C[C@H]1NC(=O)C#CC1CC1 1212244030 APVRZYRFHDLPKV-ZIAGYGMSSA-N 303.366 -0.456 30 20 DBED C=C(C)[C@H](CC(=O)N[C@@H]1CN(CC(N)=O)C[C@H]1OC)OCC 1212354797 JYQZHNZIRZVFSR-FRRDWIJNSA-N 313.398 -0.342 30 20 DBED C[C@@H]1CN(C(=O)COCC2CC2)C[C@H]1NCC(=O)NCC#N 1214206956 WWWXVOVGIZCGAM-DGCLKSJQSA-N 308.382 -0.511 30 20 DBED CC(C)(F)C(=O)N1CCO[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1217181315 ZQRGYIRJMZDONB-WDEREUQCSA-N 312.345 -0.714 30 20 DBED CC(C)NC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H](C)C#N 1217527745 GUDDQDYQHHQIHA-FRRDWIJNSA-N 308.382 -0.418 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)CCC(=O)NCC)C1 1219349273 UWFXOMMMIHIZKH-MNOVXSKESA-N 303.790 -0.184 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)C(=O)NCC2CC2)C1 1220636678 NRMLHOHBQRVGGG-MNOVXSKESA-N 301.774 -0.574 30 20 DBED C=CCCCN1C[C@H](O)[C@H](NC(=O)CCn2cnccc2=O)C1 1220653260 FVDLTWQNKDFTNZ-KGLIPLIRSA-N 320.393 -0.239 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2cc(C)n(C)n2)C[C@@H]1O 1221143651 LMHFNRFNHVHFDY-YUELXQCFSA-N 322.409 -0.019 30 20 DBED COCCCC(=O)N1C[C@H]2CCN(CC(=O)NCC#N)C[C@H]21 1221320040 QKZSPERPWDCEOJ-CHWSQXEVSA-N 308.382 -0.415 30 20 DBED COCC#CCN1CC[C@@H]2CN(C(=O)Cn3cnnc3O)[C@@H]2C1 1221494375 YKBVOFLWECVADR-CHWSQXEVSA-N 319.365 -0.834 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CCN(C(=O)[C@H]3CCOC3)C[C@@H]21 1222362606 PINUZQALDIUYOA-ILXRZTDVSA-N 319.405 -0.305 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC(CNC(=O)[C@@H](C)OC)CC1 1222512268 QPPUNTYHLOZZCW-QWHCGFSZSA-N 309.410 -0.013 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)CCN(C)C)CC1 1224337594 KGSRJFZIFALCAS-UHFFFAOYSA-N 308.426 -0.484 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)[C@@]2(C)CCOC2)CC1 1224970571 BCBAIJMCACCYHU-KRWDZBQOSA-N 321.421 -0.009 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC(NC(=O)CC(C)(C)O)CC1 1227139122 WAPZPAGTLYWFPF-LBPRGKRZSA-N 309.410 -0.134 30 20 DBED C=CCOCC(=O)NCCCN(C)C[C@H](O)Cn1cccn1 1235698620 MPODZPAUGMVSOL-AWEZNQCLSA-N 310.398 -0.115 30 20 DBED CN1C(=O)C[C@@H](C(=O)NCC(=O)NCC#N)c2ccccc21 1258173842 YSHGCRHZUBDXOX-LLVKDONJSA-N 300.318 -0.107 30 20 DBED C=CC[C@@H](CC)NC(=O)C(=O)N1CCN(S(C)(=O)=O)CC1 1258513546 YRIXGXDQTPDADO-LLVKDONJSA-N 317.411 -0.439 30 20 DBED O=C(NCCN/C(O)=C1/N=CC=CC1=O)NC1(CO)CCC1 1320435951 YCUIJQBSUHQNBU-QXMHVHEDSA-N 308.338 -0.273 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)Nc1cccc(OCC(N)=O)c1 1321240332 DNMJMYKWQWOCFL-SNVBAGLBSA-N 321.333 -0.194 30 20 DBED C=CCOCCNC(=O)C(=O)N1CCN(CC)C(=O)[C@@H]1CC 1328144866 BLIKBMUWQPUKJF-LBPRGKRZSA-N 311.382 -0.226 30 20 DBED C=CCOCCNC(=O)C(=O)N[C@H](COC)[C@H]1CCCO1 1328145663 HLNZUQSRKYYHOX-VXGBXAGGSA-N 300.355 -0.385 30 20 DBED C#CC[C@H](NC(=O)C(=O)N(CCN)CCO)c1ccccc1 1328732313 JDPOOANEZGBPLR-AWEZNQCLSA-N 303.362 -0.353 30 20 DBED C#CC[C@@H](CCOC)NC(=O)[C@@]1(OC)CCS(=O)(=O)C1 1333661816 JPCWTNCIZDGFIL-WCQYABFASA-N 303.380 -0.265 30 20 DBED C=CCn1nnnc1N1CCN(CC(=O)NCCCC)CC1 1340209427 WVAGSVZVIFXNSX-UHFFFAOYSA-N 307.402 -0.103 30 20 DBED C=CCn1c(N2CCNC(=O)C2)nnc1[C@@]1(O)CCSC1 1341980982 HOXVZTKWEYANLN-CYBMUJFWSA-N 309.395 -0.275 30 20 DBED C#C[C@H](NC(=O)C(=O)NC[C@@H](OC)C(F)(F)F)[C@H]1CCCO1 1347010937 FQCPNHZRWOTTDB-IVZWLZJFSA-N 322.283 -0.023 30 20 DBED CC(=O)NC[C@@H]1CN(S(=O)(=O)CC2(CC#N)CC2)CCO1 1364808205 UAOLUQOEMNKQIC-GFCCVEGCSA-N 315.395 -0.153 30 20 DBED Cc1cc(NC(=O)CN(C)CCNC(=O)[C@H](C)C#N)n(C)n1 1366518134 IBHIKWSOCNLHKI-SNVBAGLBSA-N 306.370 -0.125 30 20 DBED CCN(CCNC(=O)c1cccn2nnnc12)C(=O)[C@@H](C)C#N 1373828919 RTQPRWDQFUKILW-JTQLQIEISA-N 315.337 -0.138 30 20 DBED CCN(CCC#N)C(=O)CN1CCC[C@H]1CNC(=O)COC 1377389121 OMRLFOOHIBLGKP-ZDUSSCGKSA-N 310.398 -0.024 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)CCCn2cncn2)C1 1386219912 GTMKGYVDEJFOMG-SRVKXCTJSA-N 304.354 -0.019 30 20 DBED CN(CCNC(=O)[C@H]1CCC(=O)N1C)C(=O)c1ccc(C#N)[nH]1 1387055213 QDMIIHFVGJBQRS-GFCCVEGCSA-N 317.349 -0.305 30 20 DBED CNC(=O)CCn1c(C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1396083086 FMQJXIRGQDPHET-CYBMUJFWSA-N 317.397 -0.101 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)CC1CCN(C)CC1 1410124586 WQKUXFLMUAUPEC-YPMHNXCESA-N 310.398 -0.529 30 20 DBED CC[C@@]1(CO)CCCN(C(=O)Cn2cc(C#N)c(O)nc2=O)C1 1412852406 YESRNDOPEOGQAY-OAHLLOKOSA-N 320.349 -0.168 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)C2CCOCC2)C1 1417437157 XIUBRERSURCRKW-ABAIWWIYSA-N 309.366 -0.348 30 20 DBED N#Cc1ccc(C(=O)NC2(CNC(=O)Cn3cncn3)CC2)[nH]1 1432324778 BZZZJZUQVGKEGJ-UHFFFAOYSA-N 313.321 -0.443 30 20 DBED CC(C)(CC#N)CNC(=O)CCn1cc(S(N)(=O)=O)cn1 1434066334 SAJVAFJNVBFBPU-UHFFFAOYSA-N 313.383 -0.023 30 20 DBED C[C@H](C(=O)N(C)c1cc(C#N)ccn1)n1cnc(-c2nn[nH]n2)n1 1570923459 YSXUJGWADDEPFZ-MRVPVSSYSA-N 324.308 -0.051 30 20 DBED C[C@H](Nc1cnc(-c2nn[nH]n2)c(C#N)n1)c1nnc(O)n1C 1575438106 FUSRGGYSGYBXSW-YFKPBYRVSA-N 313.285 -0.464 30 20 DBED N#CCC1(CN2C[C@@H](N3C(=O)CNC3=O)C[C@H]2C(=O)O)CC1 1608177692 DHVHXUQWJHQLLE-UWVGGRQHSA-N 306.322 -0.240 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CCN(C)[C@@H]2C)C1 1731433142 CKBXXWORCYJXOY-HZSPNIEDSA-N 308.426 -0.181 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@H](NC(=O)c2cc(CCC)[nH]n2)C1 1752652735 OOQRGIRXPGYGPV-JOCQHMNTSA-N 317.393 -0.038 30 20 DBED C[C@@H]1C[C@@H](C(=O)N[C@H]2C[C@H](NCC(=O)NCC#N)C2)CCO1 1752672176 AUHRVULBQSPXLW-YVECIDJPSA-N 308.382 -0.322 30 20 DBED C=CCNC(=O)CNC[C@@H]1CCN(C(=O)c2csnn2)C1 1752946699 ZRCKMORRCNNSDX-JTQLQIEISA-N 309.395 -0.108 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC[C@@H]1CNC(=O)c1cn(C)nn1 1753104752 IMLNPMYVAYKLQF-VXGBXAGGSA-N 318.381 -0.853 30 20 DBED COCC#CCNCCN(C)C(=O)Cn1nnnc1C(C)C 1753239033 DIRALFWTENYVFY-UHFFFAOYSA-N 308.386 -0.506 30 20 DBED CC(C)Cn1cc(C(=O)N(C)CCNCC(=O)NCC#N)cn1 1753246184 OUBNRZYVIAZMKV-UHFFFAOYSA-N 320.397 -0.160 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN(CCNC(=O)C2CC2)C1 1753378605 ONXMZSUXBWLWHE-HNNXBMFYSA-N 318.421 -0.589 30 20 DBED C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)Cn1ncn(C)c1=O 1753422000 FOFJLYINICSAER-STQMWFEESA-N 305.382 -0.167 30 20 DBED C[C@H](CN[C@H]1CCC(=O)NC1=O)N(C)C(=O)c1cc(C#N)c[nH]1 1753688165 ZKAVXCGYODYEHJ-KOLCDFICSA-N 317.349 -0.258 30 20 DBED C[C@H](CNCC(=O)NCC#N)N(C)C(=O)c1cc[n+]([O-])cc1 1753694317 VAJCHSVIQZQQLL-LLVKDONJSA-N 305.338 -0.990 30 20 DBED C#CCOCCC(=O)N1CCC[C@H]([C@H](C)NCC(=O)NC)C1 1753795004 UIIRGCHHPZAKLZ-KBPBESRZSA-N 309.410 -0.011 30 20 DBED C#CCCCCC(=O)N(C)C1CN(CCNS(C)(=O)=O)C1 1754573828 ZIIAYVVGVVWXFN-UHFFFAOYSA-N 315.439 -0.128 30 20 DBED COCC#CCN1CCC(C)(NC(=O)[C@@H]2CN(C)CCO2)CC1 1754625440 VUYUDMUFPSIUSI-HNNXBMFYSA-N 323.437 -0.063 30 20 DBED C=CCNC1(CC)CCN(C(=O)Cn2cnc(C(N)=O)n2)CC1 1755069200 OPXUPGZQCNNOCO-UHFFFAOYSA-N 320.397 -0.076 30 20 DBED C#CCNCC1(O)CCN(C(=O)[C@@H](OC)[C@H]2CCOC2)CC1 1755151487 HKNBRWROGIFSKF-KBPBESRZSA-N 310.394 -0.386 30 20 DBED CCOc1cc(C(=O)N[C@@H](C)[C@@H](C)NCC(=O)NCC#N)on1 1755244611 RXROONTUFDDEHN-ZJUUUORDSA-N 323.353 -0.191 30 20 DBED Cc1n[nH]cc1C(=O)NCC1[C@H]2CN(CC(=O)NCC#N)C[C@H]12 1755427094 YVLHWGGPFXPOST-CHWSQXEVSA-N 316.365 -0.735 30 20 DBED C#CCNC(=O)CNCCC[C@@H](C)NC(=O)c1ncn(C)n1 1755497531 RUTOISVAMBKBFU-LLVKDONJSA-N 306.370 -0.947 30 20 DBED CO[C@H](C(=O)N1C[C@@H](NCC(=O)NCC#N)C(C)(C)C1)C1CC1 1755754971 FPPZJAKKKMWHQY-OCCSQVGLSA-N 322.409 -0.122 30 20 DBED COCC#CCNC1CC(N(C)C(=O)Cc2n[nH]c(C)n2)C1 1755856878 QMWOHKNTPRCGHH-UHFFFAOYSA-N 305.382 -0.116 30 20 DBED C#CCOCCC(=O)NC[C@H](C)N(C)C(=O)c1cnc(O)n1C 1756026567 IQNJENDZXDLDNT-NSHDSACASA-N 322.365 -0.258 30 20 DBED CC(C)C#CC(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2CCNC2=O)C1 1756249916 ZNIPJRSAEZOLFE-JHJVBQTASA-N 305.378 -0.207 30 20 DBED C=C(C)CCC(=O)N[C@H](CO)CNC(=O)C(=O)NCC1CC1 1756544839 GJSXHYKZLPOSAK-LBPRGKRZSA-N 311.382 -0.538 30 20 DBED C[C@@H]1C[C@@H](NC(=O)C#CC2CC2)CN1C(=O)c1cnnn1C 1756588568 SSGVBDVZTILDCH-ZYHUDNBSSA-N 301.350 -0.052 30 20 DBED C[C@H]1C[C@@H](NC(=O)CSCC#N)CN1C(=O)Cn1cncn1 1756601356 MEEXMXYWSLOBQC-WDEREUQCSA-N 322.394 -0.360 30 20 DBED C=CCCC(=O)NC[C@@H](O)CN(C)C(=O)c1cn(C)nc1OC 1756672224 RJXDOPSSDABQGW-LLVKDONJSA-N 324.381 -0.056 30 20 DBED Cn1cc(C=NNc2ccc(C(=O)O)nc2)c(=O)n(C)c1=O 1776068907 GCQLSXWRTCKMKW-UHFFFAOYSA-N 303.278 -0.377 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1[nH]cnc1C)CCO2 1783050197 LFHWJTMUJDZAIQ-HNNXBMFYSA-N 302.334 -0.205 30 20 DBED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)C1(F)CC1)CCO2 1783566211 RIJBZOAUVPETTE-CQSZACIVSA-N 324.308 -0.594 30 20 DBED C[C@H](S)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cnnn1 1796298972 JPJLJEDKSGKBBC-MMWGEVLESA-N 324.410 -0.370 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@@H](C)O1 1797198504 DYVBPLVJVTXZML-ZHZXCYKASA-N 306.362 -0.223 30 20 DBED COCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CCC1 1801980101 SHECROPPEZQHEN-DABQJJPHSA-N 321.377 -0.084 30 20 DBED C=CCNC(=O)CNC(=O)N[C@@H](C)C(=O)NCc1ccco1 180554322 BLQRAFCRVWFPSM-JTQLQIEISA-N 308.338 -0.114 30 20 DBED C/N=C(/NCCC(=O)OC)N1CCN(c2cnn(C)c2)C(=O)C1 261782924 QDVMCULMSQBDEN-UHFFFAOYSA-N 322.369 -0.793 30 20 DBED C/N=C(/NCCNS(C)(=O)=O)N1CCC2(CCOCC2)C1 262824423 ZHOGRGIBIBSIIO-UHFFFAOYSA-N 318.443 -0.387 30 20 DBED C[C@@H]1CN(S(=O)(=O)Cc2cccc(C#N)c2)C[C@H](C(N)=O)O1 268342851 LIMLOHYQWHEWOM-ZWNOBZJWSA-N 323.374 -0.037 30 20 DBED CN1CCN(c2cc(N3CCO[C@@H](C#N)C3)ncn2)CC1=O 274832601 SXQQNUNAKMYKFE-NSHDSACASA-N 302.338 -0.516 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCC(NS(=O)(=O)NC)CC1 281083069 UQCGEOGNTYYEKF-SNVBAGLBSA-N 304.416 -0.805 30 20 DBED CON(C)S(=O)(=O)c1ccc(C(=O)NCC#CCO)cc1 283781521 UWLCAKAGDOMMCQ-UHFFFAOYSA-N 312.347 -0.406 30 20 DBED N#Cc1ccc(S(=O)(=O)NCCn2cc(C(=O)O)nn2)cn1 318476162 QBDOENAIUPESMA-UHFFFAOYSA-N 322.306 -0.779 30 20 DBED C=CCC[C@H](CO)NS(=O)(=O)c1cc(C(N)=O)n(C)c1 321194301 FQRMNQHIPAVRQY-SECBINFHSA-N 301.368 -0.271 30 20 DBED CN1CCOC[C@H]1/C(O)=N/CCN1CCS(=O)(=O)CC1 328956027 OXWVANKUXCKHNG-NSHDSACASA-N 305.400 -0.996 30 20 DBED C/N=C(/O)NC(=O)[C@H](C)Sc1nnnn1CCN(C)C 330521975 RTHFKPUJXGARKM-ZETCQYMHSA-N 301.376 -0.625 30 20 DBED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)CN1CCS(=O)(=O)CC1 333070665 OSLLOGVSWXYBRG-TZMCWYRMSA-N 316.423 -0.186 30 20 DBED C[C@@H](NS(=O)(=O)N1CCO[C@H](C#N)C1)C(=O)NC(C)(C)C 336904532 DHKSAKVWRJWHJF-NXEZZACHSA-N 318.399 -0.652 30 20 DBED COCCN(CCC#N)S(=O)(=O)NCCC[S@](C)=O 337105102 ZAVJXOJNHSXTQF-SFHVURJKSA-N 311.429 -0.549 30 20 DBED C=CCCO[C@@H](C)C(=O)N1CCN(CCS(N)(=O)=O)CC1 342754695 BANCWMXSZHJKHJ-LBPRGKRZSA-N 319.427 -0.600 30 20 DBED N#CCNC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 343030708 PEGMYGDVQLNFPW-UHFFFAOYSA-N 322.346 -0.940 30 20 DBED CN(CCS(=O)(=O)c1ccc(C#N)cn1)[C@@H]1COC[C@@H]1O 343935394 IXIWUFYDWORSEP-NEPJUHHUSA-N 311.363 -0.582 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H](CO)C(C)C)C1=O 345980886 CDYCAPRQVVEGTI-SNVBAGLBSA-N 311.338 -0.656 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1CCCN([C@H](C)CO)CC1 346663971 XKNSHDMENIUBPS-OLZOCXBDSA-N 312.414 -0.225 30 20 DBED C=CC[C@@H](CO)NC(=O)NCC1CN(S(=O)(=O)CC)C1 350388675 GWFGDUSDFJRQMC-NSHDSACASA-N 305.400 -0.496 30 20 DBED CN(CCCNC(=O)CN(CC#N)C1CC1)S(C)(=O)=O 353307259 XTCRZKXEDOKEGQ-UHFFFAOYSA-N 302.400 -0.628 30 20 DBED C=C[C@H](CO)NC(=O)C(=O)Nc1ccn(-c2ccncc2)n1 354552391 ZLBCOXKKYIDGMR-SNVBAGLBSA-N 301.306 -0.131 30 20 DBED COC(=O)Cn1cc(S(=O)(=O)N(C)[C@@H](C)CC#N)cn1 360408980 SRKRCCSEPWVDEB-VIFPVBQESA-N 300.340 -0.021 30 20 DBED CCN(CCC#N)C(=O)CN1CCC[C@H](S(=O)(=O)NC)C1 365278270 MPXZSYICXUWBOS-LBPRGKRZSA-N 316.427 -0.238 30 20 DBED CNS(=O)(=O)C1CCN(C(=O)C2(C#N)CCOCC2)CC1 370862170 ZSYXGMAJVCLRQI-UHFFFAOYSA-N 315.395 -0.153 30 20 DBED N#Cc1cc(NC[C@H](O)C(N)=O)nc2ccc([N+](=O)[O-])cc12 429323552 XIBSDPYIRKAYSP-NSHDSACASA-N 301.262 0.273 30 20 DBED COCCCS(=O)(=O)NCC(=O)NCC1(CC#N)CC1 435230336 PBADBHFPKPXUFT-UHFFFAOYSA-N 303.384 -0.248 30 20 DBED CCOC(=O)N1CCN(C(=O)[C@H](C)N2CCO[C@@H](C#N)C2)CC1 491520399 YOGBUNJWNIFODU-STQMWFEESA-N 324.381 -0.100 30 20 DBED C#CCN(C)CCCNC(=O)NCCS(=O)(=O)NC(C)C 491638121 XZVCNUAXVZFYNB-UHFFFAOYSA-N 318.443 -0.432 30 20 DBED C#CCN1CCN(C(=O)CN2CC[C@H](C)[S@@](=O)CC2)CC1 491675415 XGFLNJOVERRLNA-QKKBWIMNSA-N 311.451 -0.393 30 20 DBED Cc1oc(C(=O)O)cc1S(=O)(=O)NCC(=O)NCC#N 505843544 ZTTDCNRCNMCUFA-UHFFFAOYSA-N 301.280 -0.796 30 20 DBED Cc1cnc(CCNc2c(C#N)c(=O)n(C)c(=O)n2C)nc1 534631642 XMSUYEPAIDBYNC-UHFFFAOYSA-N 300.322 -0.291 30 20 DBED N#Cc1ccc(OC[C@H](O)CN2CC[C@@H](CO)[C@@H](O)C2)cc1 570884022 JGSABOATFUSEDY-LZWOXQAQSA-N 306.362 -0.027 30 20 DBED CC[C@@H](C#N)C(=O)N[C@H]1CC(=O)N(CCN(C)CCOC)C1 593898784 MAQVUODQSFNAQL-STQMWFEESA-N 310.398 -0.169 30 20 DBED C[C@@H]1[C@H](CO)CCCN1S(=O)(=O)N1CCO[C@H](C#N)C1 594783543 QSCDKMDXOAIJCK-GRYCIOLGSA-N 303.384 -0.452 30 20 DBED CS(=O)(=O)NC1CN(C(=O)C(=O)Nc2ccc(C#N)cc2)C1 600032270 MFRXWWUVCJEHOJ-UHFFFAOYSA-N 322.346 -0.743 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(CCCCC(=O)OC)c1=O 600513615 VEUWPNLENXJDOR-UHFFFAOYSA-N 323.349 -0.113 30 20 DBED CN1CCN(S(=O)(=O)c2ccc(F)cc2C#N)[C@H](CO)C1 601469565 RGJACVDVFHBLSQ-LBPRGKRZSA-N 313.354 -0.006 30 20 DBED CC(C)[C@H]1CNCCN1C(=O)C(=O)N1CCN(CCC#N)CC1 601584164 SJLUINNWUGUBNX-CQSZACIVSA-N 321.425 -0.499 30 20 DBED C=CCn1c(C)nnc1N1CCN(S(=O)(=O)N(C)C)CC1 669806779 YQIYHRNIXQQGEY-UHFFFAOYSA-N 314.415 -0.299 30 20 DBED CC#CC[C@H](CO)NS(=O)(=O)c1scnc1C(=O)O 717777000 WCRQZXCCYGOHGY-SSDOTTSWSA-N 304.349 -0.106 30 20 DBED C#CCOCCC(=O)OCc1nc2c(=O)n(C)c(=O)n(C)c2[nH]1 751469687 MFQGEIGHDJNUOL-UHFFFAOYSA-N 320.305 -0.957 30 20 DBED COC[C@H](NS(=O)(=O)c1ccc(F)cc1C#N)C(N)=O 758487599 UBQAILOWULHPED-VIFPVBQESA-N 301.299 -0.524 30 20 DBED CCOC(=O)CON=C(C(=O)NC1(COC)CC1)c1cc[nH]n1 772389974 SJDKRWDCAILOPC-UHFFFAOYSA-N 324.337 -0.011 30 20 DBED C#C[C@H](NC(=O)C(=O)NC1CCN(CC)CC1)[C@@H]1CCCO1 775035836 RXPHBRRHSQKRBN-KBPBESRZSA-N 307.394 -0.116 30 20 DBED N#CCCCS(=O)(=O)NC(=O)[C@@H]1CCCCS1(=O)=O 791865776 JLGDPBILFAUMRW-VIFPVBQESA-N 308.381 -0.297 30 20 DBED C=CCn1cc(CNS(=O)(=O)N(C)C2CCOCC2)nn1 819892511 DJSQSKXEKUYVMU-UHFFFAOYSA-N 315.399 -0.091 30 20 DBED C=CCCn1cc(C(=O)NS(=O)(=O)[C@@H]2CCOC2)nn1 820068031 MMNPCJBTANMTRT-SECBINFHSA-N 300.340 -0.297 30 20 DBED C#CCCN1CCN(C(=O)[C@@H](CCC)S(N)(=O)=O)CC1 825078040 RBLWYEXRJMUXRB-GFCCVEGCSA-N 301.412 -0.389 30 20 DBED C#CC[C@H]1NC(=O)N(CCNS(=O)(=O)c2ccccc2)C1=O 842237680 WAYXHXQEKKCUMW-GFCCVEGCSA-N 321.358 -0.091 30 20 DBED COC(=O)CNC(=O)Cn1cc2c(c(C#N)c1=O)CCCC2 842574574 FNOVUKNAQYLHDI-UHFFFAOYSA-N 303.318 -0.112 30 20 DBED C#CC[C@H](COC)NS(=O)(=O)N(CCC#N)CCOC 859431016 YPMVKXOCUONVRF-GFCCVEGCSA-N 303.384 -0.279 30 20 DBED C=CC[C@H](NC(=O)C(=O)NC[C@H]1COCCN1)c1ccncc1 861735728 UVUWLKFETAGHQJ-KBPBESRZSA-N 318.377 -0.080 30 20 DBED CN(C(=O)[C@@H]1COC(=O)N1)[C@H]1CCN(C(=O)C#CC2CC2)C1 937346824 DUNIIPHZRAHLDF-RYUDHWBXSA-N 305.334 -0.433 30 20 DBED C[C@H](C#N)C(=O)N1CCCN(C(=O)[C@H]2CCCC(=O)N2)CC1 941379762 YTUQZNPUEIGVIC-VXGBXAGGSA-N 306.366 -0.124 30 20 DBED O=C(NC[C@H]1CN(C(=O)C#CC2CC2)CCO1)c1cnon1 944736026 ARNWJTWZAGTJLO-NSHDSACASA-N 304.306 -0.560 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCN([C@@H](C)C(=O)N(C)C)CC1 948825838 UKVSWXDDHSOUJE-GJZGRUSLSA-N 320.437 -0.295 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1cnon1 950755585 PJCSOBFFNLNCPF-AAEUAGOBSA-N 317.349 -0.502 30 20 DBED O=C1NCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)C#CC2CC2)C1 950761793 NSOFJUCCQNOTDO-CHWSQXEVSA-N 303.362 -0.357 30 20 DBED C#Cc1ccc(C(=O)N2CCC[C@@H](NC(=O)C(N)=O)C2)nc1 951494915 SCMAGHAAXQEVRN-LLVKDONJSA-N 300.318 -0.731 30 20 DBED N#CCN1C[C@H](CNC(=O)c2ccc3c(n2)OCCO3)[C@@H](O)C1 958214771 MFMBZHXATHJQRC-JQWIXIFHSA-N 318.333 -0.601 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2CN(CC(=O)NC)C[C@@H]2O)cc1 958303171 BPSGWNDYDXMZCL-GJZGRUSLSA-N 315.373 -0.564 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2cnc3c(c2)ncn3C)C1 958316995 QNJPFTPDQGPEKI-TZMCWYRMSA-N 313.361 -0.376 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2ccc3ncn(C)c3n2)C1 958403765 JKFTYMAHWNMEGI-RISCZKNCSA-N 313.361 -0.376 30 20 DBED N#CCN1C[C@H](CNC(=O)c2cnn(CC3CC3)c2)[C@@H](O)C1 958574996 SOACIOJOPQLPDR-JSGCOSHPSA-N 303.366 -0.161 30 20 DBED C=CCN1CC[C@H](N(C)C[C@@H]2CCCN2C(=O)C(N)=O)C1=O 960830900 NLBQSFCRWDSIRV-RYUDHWBXSA-N 308.382 -0.819 30 20 DBED C=C(C)C(C)(C)C(=O)N1CCOC2(CN(C(=O)C(N)=O)C2)C1 965439632 WFTQQKDKWJUWHM-UHFFFAOYSA-N 309.366 -0.486 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)Cn3cnnn3)C[C@@H]2C)C1 966139352 RYFPRNMJGNUGNH-NWDGAFQWSA-N 318.381 -0.008 30 20 DBED Cc1ccncc1CC(=O)N[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1O 968348245 VVMDAYJHSXSVJC-BNOWGMLFSA-N 316.361 -0.220 30 20 DBED C=CCCN1CCO[C@]2(CCN(C(=O)[C@@H]3COC(=O)N3)C2)C1 972357512 LBKSHNGTPTYUHQ-SWLSCSKDSA-N 309.366 -0.026 30 20 DBED N#CCN1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCNC3=O)C2)C1 972420407 URMMKEUCTICILL-DOMZBBRYSA-N 306.366 -0.661 30 20 DBED C=CCN1C[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C(C)(C)C1 974601193 ULSAOCGDLLQZAM-JTQLQIEISA-N 306.370 -0.610 30 20 DBED COc1nn(C)cc1C(=O)N[C@H]1[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]21 976933854 GPESKGWVJRITLM-SVDPJWKOSA-N 317.349 -0.225 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CC[C@H]3CN(C(=O)C(N)=O)C[C@@H]32)c1 979925843 DNMPAFCKDAOGGX-GARJFASQSA-N 315.333 -0.662 30 20 DBED C#CCCN1CCCC2(C1)CN(C(=O)C1CC(=O)NC(=O)C1)C2 982069238 QIJXRYSUCBKOOM-UHFFFAOYSA-N 317.389 -0.013 30 20 DBED CN(C[C@H]1CCN(C(=O)C#CC2CC2)C1)C(=O)[C@H]1CCC(=O)N1 987986843 VTBQFOFVJOKSSO-ZIAGYGMSSA-N 317.389 -0.015 30 20 DBED C#CCCN1CC[C@@]2(NC(=O)CN3CC(=O)NC3=O)CCC[C@@H]12 992313793 ACVSQFDDKJFESJ-WBMJQRKESA-N 318.377 -0.325 30 20 DBED C#CCN1CC[C@]2(NC(=O)c3cn(C)c(=O)nc3O)CCC[C@H]12 992493668 LHFWBUAWBFGBKZ-BLLLJJGKSA-N 316.361 -0.154 30 20 DBED C#CCN[C@@H]1CCCN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 1000481691 YUKJZSYJKYBWHJ-LLVKDONJSA-N 314.349 -0.715 30 20 DBED C#Cc1ccc(C(=O)N2CC(NC(=O)Cc3cnc[nH]3)C2)nc1 1000564204 YJJPCZOOSGGNBZ-UHFFFAOYSA-N 309.329 -0.031 30 20 DBED C=C(C)CN[C@@H]1CCCN(C(=O)c2cn(CC(N)=O)nn2)C1 1000998492 DWYOFZXVABDOFA-LLVKDONJSA-N 306.370 -0.466 30 20 DBED Cn1[nH]c(CN2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)nc1=O 1010645453 UENPOMGCWNMUNA-JTQLQIEISA-N 315.337 -0.688 30 20 DBED O=C1CC[C@@H](CC(=O)N2CCN(C(=O)C#CC3CC3)CC2)N1 1011108044 IFDNFMDRHHHWRY-ZDUSSCGKSA-N 303.362 -0.261 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](C)O[C@@]2(CCN(C(=O)C(N)=O)C2)C1 1017842937 MACYEROHXAZOAQ-BDJLRTHQSA-N 323.393 -0.098 30 20 DBED N#CCN[C@H]1CCN(C(=O)CN2CCCCS2(=O)=O)C1 1019153685 FKUROWAROMZASE-NSHDSACASA-N 300.384 -0.874 30 20 DBED C=CCn1cc(C(=O)N2CCCO[C@@H](CNC(C)=O)C2)nn1 1019502441 GJEUSNMEQNVURA-LBPRGKRZSA-N 307.354 -0.169 30 20 DBED C[C@H]1[C@@H](NC(=O)[C@H]2CNC(=O)N2)CCN1C(=O)C#CC1CC1 1020249822 RCCMQHDIEPJCEE-ZMLRMANQSA-N 304.350 -0.813 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)[C@H]1CCC(=O)N1 1026232027 UIOLENLRNKYRCL-RAIGVLPGSA-N 303.362 -0.359 30 20 DBED C#Cc1cccc(NC(=O)CN2CC(NC(=O)c3cnn[nH]3)C2)c1 1030600568 FNYOFRZGMAPJIH-UHFFFAOYSA-N 324.344 -0.161 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)c3cn(C)c(O)n3)C2)C1=O 1030899193 CLPUYNBDFUFCEW-LBPRGKRZSA-N 319.365 -0.673 30 20 DBED C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cn(C)c(=O)n(C)c1=O 1032661051 ONHBYKRWUKSCQL-RYUDHWBXSA-N 318.377 -0.441 30 20 DBED CC#CCN1CCO[C@H](CNC(=O)c2cc(=O)c(OC)c[nH]2)C1 1035445949 VCBANNBEKPZNEX-GFCCVEGCSA-N 319.361 -0.163 30 20 DBED C=CCN1CCO[C@@H](CNC(=O)C2CCN(C(N)=O)CC2)C1 1035601827 CWATXIMDYITHMA-ZDUSSCGKSA-N 310.398 -0.220 30 20 DBED C#CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1ccc(S(N)(=O)=O)o1 1037488167 FVZZCOIOUOGLRK-VDDIYKPWSA-N 309.347 -0.637 30 20 DBED COc1c(O)nc(O)nc1C(=O)N[C@@H]1[C@H]2C[C@H]1N(CC#N)C2 1037675728 XTIUGVZXVKVGKY-XLPZGREQSA-N 305.294 -0.778 30 20 DBED C#CCCN1CC[C@H]1CNC(=O)c1nc(O)nc(O)c1OC 1038916805 JBZXDABYQJTKFN-VIFPVBQESA-N 306.322 -0.276 30 20 DBED C[C@H]1[C@@H](N=c2cc[nH]c(C#N)n2)CCN1C(=O)c1cn(C)nn1 1040114747 DMQODMMDOYMQJM-UWVGGRQHSA-N 312.337 -0.386 30 20 DBED Cc1nocc1C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1O 1041316054 ASIAFXHAXDBXLE-GHMZBOCLSA-N 314.305 -0.376 30 20 DBED C[C@@H](C#N)C(=O)N1CCCO[C@@H](CN=c2cc[nH]c(C#N)n2)C1 1041483635 UBOMBUKLVYSJQO-RYUDHWBXSA-N 314.349 -0.041 30 20 DBED CN1CCN(CC(=O)N2CC[C@@H]3CCN(CC#N)[C@@H]3C2)CC1=O 1042124116 ZFGHKCKBEXDILV-UONOGXRCSA-N 319.409 -0.793 30 20 DBED C#CCCCCCC(=O)N1CC(O)(CNC(=O)CC(=O)NC)C1 1042741826 USLGXGHAEJRGTK-UHFFFAOYSA-N 323.393 -0.604 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)[C@@]2(F)CCOC2)C1 1042943599 UGMDUFNIKJMDOI-OAHLLOKOSA-N 312.341 -0.536 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)C1CN([C@H](CC)C(N)=O)C1 1042962143 DSNZNZRZUFJDJX-KGLIPLIRSA-N 306.410 -0.510 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1(O)CN(C(=O)[C@H](C)C#N)C1 1043245117 ASMLXGMUPVBVDL-AGIUHOORSA-N 321.377 -0.183 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)C2CCN(C)CC2)C1 1043708429 PJNVUVFLQIEZAJ-UHFFFAOYSA-N 321.421 -0.323 30 20 DBED C#CCN[C@@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)[C@@H](C)C1 1044819580 LJHNCTDTNLFHCL-WDEREUQCSA-N 314.349 -0.367 30 20 DBED C=C[C@H](C)[C@H](C)C(=O)NCC1(O)CN(C(=O)c2cnon2)C1 1044980793 OZQREXOJSRAZKO-UWVGGRQHSA-N 308.338 -0.169 30 20 DBED C=C1CC(C)(C(=O)NCC2(O)CN(C(=O)c3cnn[nH]3)C2)C1 1046315498 AFAHQBDFSHGEKY-UHFFFAOYSA-N 305.338 -0.536 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCN(C(C)=O)C2)C1 1047449784 KYMMXFWRJIBIKG-PMPSAXMXSA-N 321.421 -0.228 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)Cn2c(C)c(C)sc2=O)C1 1047639352 TYBCZYWRNRXQOS-STQMWFEESA-N 323.418 -0.337 30 20 DBED C=CCN1CCC2(CC1)CN(C(=O)CN1CCNC(=O)C1)C2 1050617228 JFTRDLHOJHBGQO-UHFFFAOYSA-N 306.410 -0.471 30 20 DBED CC(C)C#CC(=O)N1CC[C@@H]([C@H](C)NC(=O)Cn2cnnn2)C1 1050640849 HHTFJTOADQXEFO-QWHCGFSZSA-N 318.381 -0.314 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)c1c(O)nnc(C)c1C 1051057910 OIHNTAQEXFRSKJ-LBPRGKRZSA-N 304.350 -0.137 30 20 DBED CC#CCN1CCOC[C@H]1CNC(=O)[C@H]1CCC(=O)N(C)C1 1051259316 VFMHDXNJECLSRY-UONOGXRCSA-N 307.394 -0.305 30 20 DBED C[C@H]1CN(C(=O)CSCC#N)C[C@@H]1CNC(=O)CC(N)=O 1052044141 HLMCCQYWPBXLAI-UWVGGRQHSA-N 312.395 -0.671 30 20 DBED C=C(C)CN1CCN([C@@H]2CCN(C(=O)[C@H]3CNC(=O)N3)C2)CC1 1052072985 DVYKOGBNJKKPMU-ZIAGYGMSSA-N 321.425 -0.538 30 20 DBED C=CCN1CCN([C@H]2CCN(C(=O)Cc3nc[nH]n3)C2)CC1 1052106427 KUKBJAARTOSPSE-ZDUSSCGKSA-N 304.398 -0.248 30 20 DBED C=CCOCC(=O)N1C[C@@H](C)[C@@H](CNC(=O)Cc2nc[nH]n2)C1 1052220505 KGNBHNCSYPRNJI-NEPJUHHUSA-N 321.381 -0.240 30 20 DBED C=CCCN1CC2(C1)CN(C(=O)CN1CCOCC1=O)CCO2 1053288654 NFJCBGXRLIHKKP-UHFFFAOYSA-N 323.393 -0.666 30 20 DBED COc1nn(C)cc1C(=O)N1CCOC2(CN(CC#N)C2)C1 1053370697 QCIGVFMMBIGMEH-UHFFFAOYSA-N 305.338 -0.521 30 20 DBED C#CCN1CC[C@@]2(CCCN(C(=O)Cn3ncn(C)c3=O)C2)C1 1054156268 LWVZNAGBCMCGCE-INIZCTEOSA-N 317.393 -0.471 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CN(C(=O)C3(NC(N)=O)CC3)C[C@H]2C1 1055289355 WTUSLBOAHYLMAH-GARJFASQSA-N 319.365 -0.736 30 20 DBED C#CCOCCC(=O)N[C@@]1(CO)CCCN(C(=O)C2CC2)C1 1055945499 KMMLMMCDQBTTEV-INIZCTEOSA-N 308.378 -0.094 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)CCSC 1056907529 OEEHWLRFLHEWAZ-UHFFFAOYSA-N 304.412 -0.121 30 20 DBED COCCCC(=O)N(CCO)CCNC(=O)c1cc(C#N)c[nH]1 1057078136 OXWPQSNYLRSBEY-UHFFFAOYSA-N 322.365 -0.136 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)C(=O)NCC(F)F 1057172676 NEGHAAFZPUFXEH-UHFFFAOYSA-N 321.324 -0.729 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)Cn1cc(C)cn1 1057193573 JUJXAYNREUOLGX-UHFFFAOYSA-N 324.381 -0.669 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)c1c[nH]c(=O)cn1 1057442714 OSAXLWYUHGKAAP-UHFFFAOYSA-N 320.349 -0.876 30 20 DBED CC(C)(C)C#CC(=O)N(CCO)CCNC(=O)Cn1cncn1 1057541269 RTOJWYSZKQIWGV-UHFFFAOYSA-N 321.381 -0.735 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(CCO)CCNC(=O)CCC=C 1057961347 UCJPSJTVDSKCKX-HNNXBMFYSA-N 321.421 -0.013 30 20 DBED C#CCCCCC(=O)NCCN(CCO)C(=O)c1cnn(C)n1 1058094701 UCHALIIPEIVMQS-UHFFFAOYSA-N 321.381 -0.441 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)[C@@H]1[C@H]2COC[C@H]21 1058447661 DQSUQONSMATSCM-NHAGDIPZSA-N 308.378 -0.525 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)[C@H]1CCCC(=O)N1C 1058654560 AULYPAHXWWGOLA-VXGBXAGGSA-N 324.381 -0.906 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 1058660920 KSYZFOLFEMRBGS-IJLUTSLNSA-N 319.365 -0.390 30 20 DBED N#Cc1cnccc1N1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1ncnn1 1058778102 KAROBLCCHPJTOW-BETUJISGSA-N 324.348 -0.180 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NCC[C@H]1CCN(C(=O)C(N)=O)C1 1060282298 XIHDULKEWRFDJQ-XQQFMLRXSA-N 323.393 -0.192 30 20 DBED C#CCCCC(=O)N1CCOC[C@H]1CNC(=O)[C@H]1COC(=O)N1 1061546025 JRBPHWDJMIUSAW-VXGBXAGGSA-N 323.349 -0.758 30 20 DBED CC(C)C#CC(=O)NC[C@H]1COCCN1C(=O)c1ncn(C)n1 1061565836 AANVAYQYMNJAPQ-LBPRGKRZSA-N 319.365 -0.568 30 20 DBED C=CCOCC(=O)NCC1(NC(=O)CC(=O)N(C)C)CCC1 1062703820 QHFKYQLPVQRMBC-UHFFFAOYSA-N 311.382 -0.178 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CCNC(=O)C2)CCO1 1065041296 UXYBKQZVZCCRHC-CHWSQXEVSA-N 323.393 -0.178 30 20 DBED O=C(Cc1ncc[nH]1)NC[C@@H]1CN(C(=O)C#CC2CC2)CCO1 1065137571 WYLKPRUPHNRQRC-CYBMUJFWSA-N 316.361 -0.291 30 20 DBED N#Cc1cncc(NC[C@@H]2CN(C(=O)c3nc[nH]n3)CCO2)n1 1066637460 FUSNCTVMRKAVMQ-SNVBAGLBSA-N 314.309 -0.581 30 20 DBED CC(=O)NCC(=O)N(C)CCCN(C)C(=O)c1cc(C#N)c[nH]1 1066661856 IZNAJQYTQSPOOB-UHFFFAOYSA-N 319.365 -0.057 30 20 DBED C[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@@H]1N=c1cc[nH]cc1C#N 1067049963 VKKLHGNKEKSZOV-MFKMUULPSA-N 322.390 -0.321 30 20 DBED C=CCCC(=O)N1CC2(C1)CN(C(=O)[C@H](C)CC(N)=O)CCO2 1068420488 BMBYVZHPTNTXQC-GFCCVEGCSA-N 323.393 -0.096 30 20 DBED N#Cc1cncc(NC[C@H]2C[C@H](NC(=O)Cn3cnnn3)C2)n1 1068449387 IOJLGJWCLMKXKJ-MGCOHNPYSA-N 313.325 -0.658 30 20 DBED Cc1ncc(C(=O)N2CC3(C[C@@H](NC(=O)[C@H](C)C#N)CO3)C2)[nH]1 1069003769 PLSMCJBQVYPGIN-MWLCHTKSSA-N 317.349 -0.023 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)Cc2nnc(C)o2)C1 1069920507 QGAKWHBAJPSLLD-NEPJUHHUSA-N 315.337 -0.813 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2cnnn2CC)C1 1069920615 WVYNCETXYLAIPW-YPMHNXCESA-N 316.369 -0.269 30 20 DBED C=CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2[nH]nnc2C)C1 1069995694 UTPPGNSYRSOBHF-NEPJUHHUSA-N 316.369 -0.064 30 20 DBED Cc1c(C(=O)N2C[C@H](n3ccnn3)[C@H](NCC#N)C2)cnn1C 1070141679 WHXXNEXDFNDEHY-OLZOCXBDSA-N 314.353 -0.501 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@@H]2CCCOC2)C[C@@H]1n1ccnn1 1070155028 PIBIMZDVOFYXQX-MCIONIFRSA-N 303.366 -0.321 30 20 DBED N#CCSCC(=O)N1CCC[C@@H](NC(=O)Cn2nccn2)C1 1070453292 OCQJIJSXZWCJCB-LLVKDONJSA-N 322.394 -0.358 30 20 DBED C#CCN[C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@H]1c1cncn1C 1070657859 PIDXUGJVOOSVDJ-VXGBXAGGSA-N 317.393 -0.551 30 20 DBED CC(C)C#CC(=O)N1CCC[C@@H](NC(=O)CCNC(N)=O)C1 1070705875 PGHZCFGKMKFGRD-GFCCVEGCSA-N 308.382 -0.189 30 20 DBED C#CCCN1CCN([C@@H]2CCCN(C(=O)CC(N)=O)C2)C(=O)C1 1071260531 TVPCPCIVTDAGOG-CYBMUJFWSA-N 320.393 -0.980 30 20 DBED C[C@H]1CN(C(=O)c2cc(=O)n(C)o2)C[C@H]1NC(=O)C#CC1CC1 1071977180 ADSLDWKGHWUIKJ-CMPLNLGQSA-N 317.345 -0.032 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H](N[C@H]3CCNC3=O)[C@@H]2C)nn1 1074949558 FRLYECFMKQEZBR-SRVKXCTJSA-N 318.381 -0.455 30 20 DBED C=CCCn1cc(C(=O)N2CC[C@H](N[C@H](C)C(N)=O)[C@@H]2C)nn1 1074955221 ZTLWYBLPCFCNRV-WOPDTQHZSA-N 320.397 -0.079 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)c2c(C)c(C)nn(C)c2=O)C1 1077487887 PSAZWAJQYOBGSW-CHWSQXEVSA-N 320.393 -0.252 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2Cc3cc(F)ccc3O2)C1 1077767534 GJWLDPKIMLUUKS-NFAWXSAZSA-N 304.321 -0.076 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2ccc3c(c2)nnn3CC)C1 1078165188 VFTQFGILYDCSAG-UKRRQHHQSA-N 313.361 -0.141 30 20 DBED C=CCOCC(=O)N1CC(N(CC)C(=O)[C@H]2CCNC(=O)C2)C1 1079604062 GYWAYAHJMSIBEA-LBPRGKRZSA-N 323.393 -0.226 30 20 DBED CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)COCCN(C)C)C1 1080413261 UPWWNSOJZAWKPX-GFCCVEGCSA-N 310.398 -0.216 30 20 DBED C=CCn1cc(C(=O)N2C[C@H](O)[C@H](CNC(=O)CCC)C2)nn1 1081199692 MJKDLBARTBNYCR-YPMHNXCESA-N 321.381 -0.187 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2ncc[nH]2)C[C@H]1O 1081346257 GBFJTZOLOMNXKO-WDEREUQCSA-N 308.338 -0.839 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2[nH]cnc2C)C1 1081591717 BZKTYBORNABZIK-NWDGAFQWSA-N 322.365 -0.530 30 20 DBED C[C@@H](C#N)C(=O)N1CCCC[C@H]1CNC(=O)Cn1nccn1 1082267629 VURJYDFSDSINLB-RYUDHWBXSA-N 304.354 -0.065 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1C[C@H]1C(=O)N(C)C 1083193916 NENKESOFDAHGSB-CBBWQLFWSA-N 319.405 -0.354 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)Cn1ccccc1=O 1083270770 YKYUJBHLKVMSGK-UONOGXRCSA-N 301.346 -0.607 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)c2cn(CCOC)nc2C)C1 1083458354 JOMYAXIHSYSEQV-CABCVRRESA-N 320.393 -0.364 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2CC(=O)N(CCC)C2)C1 1083821165 XDNYUIRESRJFTL-MCIONIFRSA-N 309.410 -0.018 30 20 DBED C#CCN[C@@H]1CCCC[C@H]1NC(=O)c1cn(C)c(=O)n(C)c1=O 1085351388 GJTSQXOEXRHAIO-CHWSQXEVSA-N 318.377 -0.652 30 20 DBED C=CCCn1cc(C(=O)NC[C@H]2CC[C@@H](NCC(N)=O)C2)nn1 1086825238 ZNAPOJRHBRXASI-NWDGAFQWSA-N 320.397 -0.172 30 20 DBED CO[C@H](C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1O)C1CC1 1090413518 SESAKJHFWYNMKY-BZPMIXESSA-N 317.349 -0.561 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1O 1090490349 QWQASFJFLRNIKN-CYZMBNFOSA-N 315.333 -0.948 30 20 DBED NC(=O)C(=O)N[C@@H]1CCN(CC#Cc2ccccc2)C[C@@H]1O 1090533270 YETQJZBQDYVDJE-KGLIPLIRSA-N 301.346 -0.925 30 20 DBED CCCN(C)CC(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1091130025 LZRQGPHJICHCIX-OLZOCXBDSA-N 318.381 -0.644 30 20 DBED Cn1nnc(CN2C[C@@H]3CN(C(=O)C#CC4CC4)C[C@]3(C)C2)n1 1091659535 NGAPTQIUYRSLLC-CJNGLKHVSA-N 314.393 -0.096 30 20 DBED CC#CCN1C[C@@H](C)[C@H](CNC(=O)c2cn(CC(N)=O)nn2)C1 1093225209 IWBAVTZKIPNIGX-VXGBXAGGSA-N 318.381 -0.916 30 20 DBED N#Cc1cnc(NCCNC(=O)[C@@H]2CCCS2(=O)=O)cn1 1093669825 IGNJEHGCRVCYJO-JTQLQIEISA-N 309.351 -0.546 30 20 DBED C[C@@H]1C[C@@H](C(=O)NCCNc2nccnc2C#N)CC(=O)N1 1093982399 FFSHSQZTRXRBRF-NXEZZACHSA-N 302.338 -0.209 30 20 DBED N#Cc1nc(=NCCCNC(=O)CNC(=O)C2CC2)cc[nH]1 1094318072 NCXGQXDCXRLABP-UHFFFAOYSA-N 302.338 -0.785 30 20 DBED N#Cc1cnc(NCCCNC(=O)[C@@H]2CCNC(=O)C2)cn1 1094381983 KETNGKHPDZQNFA-SNVBAGLBSA-N 302.338 -0.207 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)c3cnn(C)c3)CC2=O)C1 1094700927 JZYOFTJYPFNWPS-GFCCVEGCSA-N 301.350 -0.932 30 20 DBED N#Cc1cccnc1NCCCNC(=O)CN1CCNC(=O)C1 1094718786 XHNCVPBHYVQIAQ-UHFFFAOYSA-N 316.365 -0.697 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H]1CCN(c2nccn3nnnc23)C1 1096442770 UNXVYKCQHAJGQU-QWRGUYRKSA-N 315.337 -0.748 30 20 DBED CC(=O)NCC(=O)NC[C@@H](Nc1cnc(C#N)cn1)C1CC1 1096560230 UWXFFPMIUQODEE-GFCCVEGCSA-N 302.338 -0.209 30 20 DBED C#CCN(CCO)C1CCN(C(=O)[C@H]2CCCNC2=O)CC1 1098399905 WEUHUYQELMDHSD-AWEZNQCLSA-N 307.394 -0.569 30 20 DBED C=CCN(CCO)C1CCN(C(=O)c2cn(C)c(=O)cn2)CC1 1098435983 QDHAHHWMTKNUBY-UHFFFAOYSA-N 320.393 -0.135 30 20 DBED COC(=O)NCC(=O)N1CC[C@H](n2cc(CNCC#N)nn2)C1 1098626323 OGGOUHQYYQBQND-NSHDSACASA-N 321.341 -0.979 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2n[nH]cc2C)[C@@H](O)C1 1099813679 SNZLGYDWPAOCIJ-OLZOCXBDSA-N 306.366 -0.467 30 20 DBED Cc1nonc1CN1CC[C@H](NC(=O)C#CC2CC2)[C@@H](O)C1 1099823709 ICBKJSZCEDPKRC-JSGCOSHPSA-N 304.350 -0.157 30 20 DBED Cn1ncc(CN2CC[C@@H](NC(=O)C#CC(C)(C)C)[C@H](O)C2)n1 1099829759 IBXFDKRHRDAPHM-ZIAGYGMSSA-N 319.409 -0.084 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)C(=O)NCC(F)F)[C@@H](O)C1 1099902319 XMQJUSPAMVAQAW-UWVGGRQHSA-N 305.325 -0.505 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)Cc2cnc[nH]2)[C@@H](O)C1 1100018797 XXESZAFNPKMPEB-KBPBESRZSA-N 308.382 -0.294 30 20 DBED C#CCNC(=O)[C@H](C)NC1CC(CNC(=O)Cc2cc[nH]n2)C1 1100214592 WXLMUUPDBBLZIV-DCBWTQNWSA-N 317.393 -0.426 30 20 DBED CN(CCNC(=O)C(=O)NCC(F)F)c1nccnc1C#N 1100223666 GQYQKCHLCZEJHT-UHFFFAOYSA-N 312.280 -0.718 30 20 DBED CN(CCNC(=O)[C@H]1CCNC(=O)CC1)c1ccc(C#N)nn1 1100237359 FYWKBWASEMGHSZ-LLVKDONJSA-N 316.365 -0.183 30 20 DBED CN(CCNC(=O)[C@@]1(C)CNC(=O)C1)c1ccc(C#N)nn1 1100246688 JWXJRTWAJHBVEP-CQSZACIVSA-N 302.338 -0.573 30 20 DBED CN(CCNC(=O)c1ccc(C(N)=O)[nH]1)c1nccnc1C#N 1100329035 HNSZQVIZSYDYHW-UHFFFAOYSA-N 313.321 -0.359 30 20 DBED CCN1C[C@@H](C(=O)NCCN(C)c2ccnc(C#N)n2)CC1=O 1100384094 YRPUYOFXFJJNRC-NSHDSACASA-N 316.365 -0.231 30 20 DBED CCN(CCNC(=O)[C@H]1C[C@H]1C(N)=O)c1cnc(C#N)cn1 1100719945 ZXSYZECCJSJDNN-MNOVXSKESA-N 302.338 -0.588 30 20 DBED CNC(=O)NCC(=O)NC[C@@H]1CCCN1c1cnc(C#N)cn1 1100914915 DYAWFZDGOPLNQI-NSHDSACASA-N 317.353 -0.638 30 20 DBED CO[C@H](C)C(=O)N1C[C@H]2CN(CC(=O)NCC#N)C[C@@]2(C)C1 1101146643 PMNZPJJNBWFQHO-JMSVASOKSA-N 308.382 -0.559 30 20 DBED CC[C@H](CNC(=O)[C@H]1CNC(=O)N1)Nc1ccc(C#N)nc1 1103277401 HUYCMCWEZDHRDC-BXKDBHETSA-N 302.338 -0.059 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CN(c2ccc3nnnn3n2)CCO1 1104301744 KBNRJNQQQVHMHN-ZJUUUORDSA-N 316.325 -1.000 30 20 DBED CN(CCN(C)c1ccnc(C#N)n1)C(=O)CN1CCCC1=O 1105321681 FOBNHUQXVOKTEH-UHFFFAOYSA-N 316.365 -0.135 30 20 DBED Cc1cc(=NC[C@@H](O)CNC(=O)c2cnccn2)c(C#N)c[nH]1 1105705668 LQEXVUDQWKDHMZ-GFCCVEGCSA-N 312.333 -0.324 30 20 DBED CCc1nc(C#N)cc(NC[C@@H](O)CNC(=O)c2cn[nH]c2)n1 1105718436 MLTLASDEGOANCU-LLVKDONJSA-N 315.337 -0.163 30 20 DBED C=CCOCC(=O)NC[C@@H](O)CN=c1cc(C)[nH]cc1C#N 1105748278 SQUQNNUVLZTNJF-ZDUSSCGKSA-N 304.350 -0.225 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H](O)CNC(=O)CCCCC(N)=O 1105957984 QVCPIEPFCFGTMG-GFCCVEGCSA-N 319.365 -0.690 30 20 DBED Cc1cc(=NC[C@H](O)CNC(=O)[C@H](C)CC(N)=O)c(C#N)c[nH]1 1106060564 XKROLVBXBGATFH-SKDRFNHKSA-N 319.365 -0.916 30 20 DBED COC[C@H](OC)C(=O)NC[C@@H](O)CNc1nc(C)cc(C#N)n1 1106088001 XIIRWOSENJUXAK-NEPJUHHUSA-N 323.353 -0.793 30 20 DBED C#CCN1CC(n2cc(CNC(=O)[C@@H](C)n3cccn3)nn2)C1 1107126399 OCCVRXSBOWBCNE-GFCCVEGCSA-N 313.365 -0.158 30 20 DBED C[C@@H](C(=O)NCc1cn(C2CN(CC#N)C2)nn1)n1cccn1 1107127062 VEOUMNIBBLWDKZ-NSHDSACASA-N 314.353 -0.268 30 20 DBED COCCCN1CC(n2cc(CNC(=O)[C@H](C)C#N)nn2)C1 1107149583 JTAYDTVKLBLDIQ-LLVKDONJSA-N 306.370 -0.053 30 20 DBED CCC(=O)N[C@@H](C)C(=O)NC/C=C\CN=c1cc[nH]c(C#N)n1 1107558264 XSYSGQRGJNYIOO-WYGGZMRJSA-N 316.365 -0.231 30 20 DBED C#CCNC(=O)CN1CCO[C@@](C)(CNC(=O)[C@H]2CC2(C)C)C1 1107877002 OROMTYREYLRVMZ-DYVFJYSZSA-N 321.421 -0.011 30 20 DBED C=CCN1CCO[C@](C)(CNC(=O)c2cc(=O)n(C)cn2)C1 1108003622 KGQNXBINKMFGIB-OAHLLOKOSA-N 306.366 -0.213 30 20 DBED C=CCOCCN1CCO[C@](C)(CNC(=O)c2nnn(C)n2)C1 1108137460 ZTKAZVSXRPIKCR-CQSZACIVSA-N 324.385 -0.767 30 20 DBED C[C@@H](CNc1cnc(C#N)cn1)NC(=O)CN1CCOCC1 1108318803 HNAXSNRUSKAQGO-NSHDSACASA-N 304.354 -0.403 30 20 DBED COCC#CCN1CCO[C@](C)(CNC(=O)Cn2ccnc2)C1 1108435966 HCSHZSWEZWKUFN-MRXNPFEDSA-N 320.393 -0.260 30 20 DBED COCC(C)(C)C(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1 1108556934 MLEWKMCTPFZXBC-LLVKDONJSA-N 308.382 -0.416 30 20 DBED C[C@@H](CNc1cncc(C#N)n1)NC(=O)C[C@@H]1CCNC1=O 1108573852 KVNMXDQIIQSUKH-UWVGGRQHSA-N 302.338 -0.209 30 20 DBED C[C@@H](CN(C)c1cnc(C#N)cn1)NC(=O)[C@H]1CN(C)CCO1 1108905547 LZIBXSSNVJDWPT-WCQYABFASA-N 318.381 -0.380 30 20 DBED C=CCCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CNC(=O)CNC(C)=O 1109459369 IYKFVOVTWVOZLD-RDBSUJKOSA-N 322.409 -0.464 30 20 DBED N#Cc1ccc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)CCc2cnn[nH]2)nn1 1109742029 QJHYXCQPZQPXFN-LYSGOOTNSA-N 324.348 -0.208 30 20 DBED CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC#N 1109849517 VNZZEQBAQMXZEQ-VOAKCMCISA-N 321.381 -0.998 30 20 DBED C[C@]1(NC(=O)Cn2cnnn2)CCN(c2ccc(C#N)nn2)C1 1110711001 QPVKRGPAPQSJDX-ZDUSSCGKSA-N 313.325 -0.880 30 20 DBED CCOCCC(=O)NC[C@@]1(O)CCN(c2cncc(C#N)n2)C1 1111042125 OSHHEBRSCIYAPN-HNNXBMFYSA-N 319.365 -0.168 30 20 DBED Cc1cc(=NCCN(CCO)C(=O)c2cn[nH]c2)c(C#N)c[nH]1 1111443954 CWDPXFDHUMBYAC-UHFFFAOYSA-N 314.349 -0.047 30 20 DBED C#CCNC(=O)CC(=O)N(CCO)CCNc1cccc(F)n1 1111454496 FITHWQZOBHYCMP-UHFFFAOYSA-N 322.340 -0.407 30 20 DBED CO[C@H](C)C(=O)NC1(CO)CCN(c2cnc(C#N)cn2)CC1 1112651627 SLZLXXMIDVWXSH-LLVKDONJSA-N 319.365 -0.169 30 20 DBED CN(C)CCC(=O)NC[C@H]1CN(c2nccnc2C#N)C[C@H]1O 1112755199 NELGXXQOHTZCLL-WCQYABFASA-N 318.381 -0.787 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)C[C@H]2COC(=O)C2)CC1 1112767347 PALCXOMPQIIATD-GFCCVEGCSA-N 309.366 -0.614 30 20 DBED C=CCOCCN1CCN(C(=O)[C@H](C)N2C(=O)CCC2=O)CC1 1112921032 PDJMLJABXHJDDV-ZDUSSCGKSA-N 323.393 -0.129 30 20 DBED C[C@@H](CNC(=O)C(=O)NCC1CC1)N(C)c1nccnc1C#N 1113692313 OBYDVBBECHBQNC-JTQLQIEISA-N 316.365 -0.185 30 20 DBED N#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3ccns3)[C@H]2C1 1114343443 OPQNXLYONJKJRF-IUCAKERBSA-N 305.363 -0.557 30 20 DBED Cc1coc(C(=O)NC2[C@H]3CN(CC(=O)NCC#N)C[C@H]23)c1 1114711087 OYNGYHQNGIIYIN-QWRGUYRKSA-N 302.334 -0.112 30 20 DBED CC(=O)NCC(=O)N1CCC(N(C)c2cncc(C#N)n2)CC1 1115125055 IZKRSCYZDYBJRZ-UHFFFAOYSA-N 316.365 -0.088 30 20 DBED C=CCCCCNC(=O)C(=O)NC1CC(NS(C)(=O)=O)C1 1117311493 IUFZMGUDQSQSOO-UHFFFAOYSA-N 317.411 -0.345 30 20 DBED C#CCSCCNC(=O)C(=O)N[C@@H]1CCn2ccnc2C1 1117461520 HUVMEFIFZFMUQG-LLVKDONJSA-N 306.391 -0.203 30 20 DBED C[C@@H](CN(C)C(=O)[C@@H]1CCNC1=O)Nc1cnc(C#N)cn1 1120408101 LACKFNUXFAIREZ-GXSJLCMTSA-N 302.338 -0.257 30 20 DBED Cc1nc(N[C@@H](CO)CNC(=O)[C@@H](C)C#N)c2cnn(C)c2n1 1121204425 HBYCLPSGQFJYLI-WCBMZHEXSA-N 317.353 -0.280 30 20 DBED Cc1nc(C(=O)NC[C@H](CO)N=c2cc[nH]c(C#N)n2)co1 1121372201 VGPVJUOGUUXQNC-SECBINFHSA-N 302.294 -0.731 30 20 DBED C=CCOCc1nnc(N2CCO[C@@H](C(N)=O)C2)n1CC=C 1121560293 GXQRJKFEAJOBPU-LLVKDONJSA-N 307.354 -0.143 30 20 DBED Cc1cc(C#N)nc(N[C@H](CO)CNC(=O)CN2CCCC2)n1 1121580074 DXNNVZLPKFJKLU-ZDUSSCGKSA-N 318.381 -0.359 30 20 DBED C=CCCOCC(=O)NC[C@@H](CO)Nc1ccc2nnnn2n1 1121749635 RDHHXKXDGLPSMJ-JTQLQIEISA-N 321.341 -0.999 30 20 DBED CC#CCCCC(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1 1122371613 DTMAHNMXTITTTL-GFCCVEGCSA-N 301.350 -0.147 30 20 DBED Cc1ccnn1CC(=O)NC[C@H](CO)Nc1cnc(C#N)cn1 1122687451 JDZLZRWEJVWISS-GFCCVEGCSA-N 315.337 -0.558 30 20 DBED COCCOCC(=O)N1C[C@@H](N=c2cc[nH]c(C#N)n2)C[C@H]1C 1123178097 GHFDRVXJACCENT-NEPJUHHUSA-N 319.365 -0.166 30 20 DBED C[C@@H]1[C@@H](NC(=O)CNC(N)=O)CCCN1c1nccnc1C#N 1123512276 CSXOVMFUZSOLIL-ZJUUUORDSA-N 317.353 -0.510 30 20 DBED N#Cc1cnc(NC[C@H]2CC[C@H](NC(=O)CC(N)=O)C2)cn1 1123755065 YRCPZPJEWPJWJL-UWVGGRQHSA-N 302.338 -0.080 30 20 DBED CCN(CC)CC(=O)N(C)C[C@H](O)CNc1nccnc1C#N 1124364439 IFHQVKAPAYNLQY-GFCCVEGCSA-N 320.397 -0.079 30 20 DBED C=CCCO[C@H](C)C(=O)NCCNC[C@@H](O)Cn1cccn1 1124495474 PDXKAOBVTFSBFA-ZIAGYGMSSA-N 310.398 -0.069 30 20 DBED CN(C[C@@H](O)CNc1cnc(C#N)cn1)C(=O)C(C)(C)C(N)=O 1124554623 OURDGZXNLPWBDL-JTQLQIEISA-N 320.353 -0.909 30 20 DBED COCCC(=O)N(C)C[C@@H](O)CN(C)c1ccnc(C#N)n1 1124901166 ACJVJBNAQNLZKS-NSHDSACASA-N 307.354 -0.360 30 20 DBED CO[C@H](C)C(=O)N[C@H]1CCc2nnc(CNCC#N)n2CC1 1127944382 RIIZZDCNGZUQKY-MNOVXSKESA-N 306.370 -0.253 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1cc2n(n1)CCC2 1128910370 YXEIBLJROBNYLX-LLVKDONJSA-N 303.366 -0.713 30 20 DBED CCOCCN[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1n1ccnn1 1129690024 DRAADWCPEZPPSG-XQQFMLRXSA-N 306.370 -0.184 30 20 DBED CC#CCN1CCOC[C@@H]1c1n[nH]c(CNC(=O)COC)n1 1130822634 KEJAHHVYYXKLGI-LLVKDONJSA-N 307.354 -0.536 30 20 DBED COCC#CCN1CC[C@]2(C1)CN(C(=O)CC(N)=O)C[C@@H](C)O2 1131641707 HVPREKRKSNXMQZ-CJNGLKHVSA-N 323.393 -0.797 30 20 DBED C#CCOCCC(=O)N[C@H]1CC[C@H](C)N(Cc2nnn(C)n2)C1 1132030889 ZTIJSZDGCIMBNZ-STQMWFEESA-N 320.397 -0.281 30 20 DBED C#CCNC[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)CC[C@@H]1C 1133186056 NDBLHGXFPWFGJE-NWDGAFQWSA-N 306.366 -0.754 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)Cn1cccn1 1133675729 UWMHMSKHJGLDSN-STQMWFEESA-N 305.382 -0.495 30 20 DBED C=C(Br)CNCCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 1133770632 BIWYQRHLSVDFRC-DTWKUNHWSA-N 320.187 -0.366 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)C#CC1CC1)NCc1nc(=O)n(C)[nH]1 1134325879 JPNGHBIATZSNLD-WDEREUQCSA-N 305.382 -0.105 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)Cc1ccn(C)n1)NCC(=O)NCC#N 1134338556 XMUHEXHFCFTIRT-NWDGAFQWSA-N 320.397 -0.525 30 20 DBED C[C@@H](C[C@@H](C)NCC(=O)NCC#N)NC(=O)Cc1cnoc1 1135261737 FAAJAYVLDLVSLF-MNOVXSKESA-N 307.354 -0.270 30 20 DBED C=CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)c1c[nH]c(=O)cn1 1135321461 VMXGKYFFAGZITE-GHMZBOCLSA-N 321.381 -0.441 30 20 DBED C=CCOCCNCCNC(=O)C1(S(C)(=O)=O)CCC1 1136107535 OQHXKXTWIBBGEW-UHFFFAOYSA-N 304.412 -0.138 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)COCc1cccnc1 1149203074 WDVRGKUKKPUYDO-CYBMUJFWSA-N 320.393 -0.005 30 20 DBED CC#CCN1CCCO[C@@H](CNC(=O)C[C@@H]2CC(=O)NC2=O)C1 1150830159 CWHAVJSNGVSQTA-OLZOCXBDSA-N 321.377 -0.730 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@H](c1ccccc1)N(C)C 1152530178 USUNHASSFAWQBI-INIZCTEOSA-N 316.405 -0.256 30 20 DBED C#CCN(C)C[C@H]1CCCCN1C(=O)[C@H]1CCS(=O)(=O)N1 1158872053 CJHXHTVLHXLMSL-CHWSQXEVSA-N 313.423 -0.376 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)CCc1ccncn1 1159059710 UBEKEWRLYSYYGX-ZDUSSCGKSA-N 317.393 -0.357 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)CCn1ccnc1 1163598916 JAMHEAYTRORLNF-ZDUSSCGKSA-N 305.382 -0.493 30 20 DBED C=CCNC(=O)CNCC1(CCNC(=O)CC(=O)N(C)C)CC1 1167408753 RHOLSBJPOKDLQF-UHFFFAOYSA-N 324.425 -0.357 30 20 DBED C#CCNCC1(CCNC(=O)CN2C(=O)NC(=O)C2(C)C)CC1 1167636083 QGNYCVOQQMDVCZ-UHFFFAOYSA-N 320.393 -0.174 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCC[C@H](C)NC(=O)CC(N)=O 1169901218 QHWURCPIJZDVLE-NWDGAFQWSA-N 312.414 -0.183 30 20 DBED CC#CCN[C@H]1CCN(C(=O)[C@H](C)NS(=O)(=O)CC)[C@H]1C 1178753595 PKGAMTCMSCLHOG-AVGNSLFASA-N 315.439 -0.084 30 20 DBED C=CCCO[C@@H](C)C(=O)N1CC[C@@H](NCC(=O)NCC#N)C1 1181475803 JGDOSYZJUSYSGD-QWHCGFSZSA-N 308.382 -0.202 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2cc(OCC)n[nH]2)C1 1183526724 MKCIPGGNGITMOO-LLVKDONJSA-N 319.365 -0.638 30 20 DBED C=CCOCC(=O)N1CC[C@H]2CN(Cc3nc(=O)n(C)[nH]3)C[C@H]21 1187296977 VRPOHZIGYHOJQF-NWDGAFQWSA-N 321.381 -0.656 30 20 DBED COCC#CCN1C[C@@H]2CCN(C(=O)[C@@H]3CN(C)C(=O)N3)[C@@H]2C1 1188776651 AWSCPAWLBRIXSN-MELADBBJSA-N 320.393 -0.808 30 20 DBED COCC#CCN(C)[C@H]1CCN(C(=O)[C@@H]2CCNC(=O)C2)C1 1189631503 HHGRBNYUDOZGPS-KGLIPLIRSA-N 307.394 -0.305 30 20 DBED C=CCCC(=O)N[C@@H]1CN(C[C@@H]2CCS(=O)(=O)C2)C[C@H]1O 1191724428 FBNNDXAUEIBASF-YNEHKIRRSA-N 316.423 -0.451 30 20 DBED CC(C)(C)CNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C#CC2CC2)C1 1192827675 UQVMCSRVMQVNAS-ZIAGYGMSSA-N 321.421 -0.277 30 20 DBED C=CCCCN1C[C@@H](O)[C@H](NC(=O)c2cn(CCOC)nn2)C1 1192844068 HGHMFTYQBUWPFV-TZMCWYRMSA-N 323.397 -0.334 30 20 DBED CC[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(CC#CCOC)C[C@H]1O 1194865717 PSLSYSUDMMJKRO-TUVASFSCSA-N 310.394 -0.387 30 20 DBED CC#CCN1CCCN(C(=O)[C@@H](C)NS(=O)(=O)CC)CC1 1195925536 CESPRAUOFOBTKV-CYBMUJFWSA-N 315.439 -0.128 30 20 DBED C=CCN1CCCN(C(=O)CS(=O)(=O)CCOC)CC1 1196316987 IYNSRZRZSYEDBF-UHFFFAOYSA-N 304.412 -0.232 30 20 DBED C#CCNC(=O)CC(=O)N1CCC(N[C@@H](C)C(=O)N(C)C)CC1 1200178803 NFVIENNSAJUFQC-LBPRGKRZSA-N 322.409 -0.817 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC(N[C@@H](C)C(=O)NC(N)=O)CC1 1200506870 ILMUYINLTWNDAG-QWRGUYRKSA-N 324.381 -0.811 30 20 DBED C#CCNC(=O)[C@H](C)NC1CCN(C(=O)[C@@H](C)OCC#C)CC1 1200540729 DPOOAQSVDMNRSV-UONOGXRCSA-N 319.405 -0.257 30 20 DBED C#CCCNC[C@H]1CN(C(=O)[C@@H]2COCCN2CC)CCCO1 1200860038 RYROJJPCZAAGFJ-HOTGVXAUSA-N 323.437 -0.063 30 20 DBED CC#CCNC[C@H]1CN(C(=O)[C@H]2CCC(=O)NC2)CCCO1 1200865582 KNVLKDQQGNTQSB-KBPBESRZSA-N 307.394 -0.257 30 20 DBED C[C@@H](C(=O)N1CCC(CNCC#N)CC1)N1C(=O)CCC1=O 1205415950 ROTVAVYHSLBXOU-NSHDSACASA-N 306.366 -0.124 30 20 DBED CCn1nccc1C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1206898778 GYKSURWQWURCML-VXGBXAGGSA-N 318.381 -0.407 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)C(C)(F)F)[C@H](OC)C1 1211761960 SQXVCLDLXGCERT-NXEZZACHSA-N 303.309 -0.794 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)c2cnon2)[C@H](OC)C1 1213600014 HIRKDTHLCAWUPS-YUSALJHKSA-N 323.353 -0.811 30 20 DBED Cc1nc(C)c(C(=O)N2C[C@@H](NCC(=O)NCC#N)[C@H](C)C2)o1 1214388571 CCKUWXUVTAJMDX-BXKDBHETSA-N 319.365 -0.019 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1C[C@@H](NC[C@H](O)COC)[C@H](C)C1 1214878773 GGSPYFUHQSVXHQ-QXSJWSMHSA-N 323.437 -0.472 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(Cc2ncnn2CC)C[C@@H]1O 1219527669 XVPHPBYWYQHSNA-XUJVJEKNSA-N 323.397 -0.714 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1CN(CCN2CCNC2=O)C[C@@H]1O 1220143217 YSFYMESTZIQIIS-NEPJUHHUSA-N 310.398 -0.615 30 20 DBED N#CCN1CC[C@@H]2CN(C(=O)CCCS(N)(=O)=O)[C@@H]2C1 1221781317 RQPVAENHFQLTSD-GHMZBOCLSA-N 300.384 -0.889 30 20 DBED C#CCCN1CCC(CNC(=O)[C@H](C)NS(C)(=O)=O)CC1 1224656520 CDDIOBQEVNJQMW-LBPRGKRZSA-N 315.439 -0.224 30 20 DBED CC#CCN1CCC(CNC(=O)[C@@H](C)NS(C)(=O)=O)CC1 1224656828 JODOCDKGZIHKRK-GFCCVEGCSA-N 315.439 -0.224 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CCOCC#C 1226170244 FYTROZZWCVSDQJ-HUUCEWRRSA-N 319.405 -0.207 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC(NC(=O)CNC(=O)OC)CC1 1226291539 KGNUNQDGRWBBKT-NSHDSACASA-N 324.381 -0.939 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)c2coc(OC)n2)CC1 1228466388 INKRVMOISIZQRW-UHFFFAOYSA-N 320.349 -0.373 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@H]1CN(C)C(=O)c1ccon1 1230888489 BNPPOMNLRPWREW-RYUDHWBXSA-N 304.350 -0.041 30 20 DBED C=CCNC(=O)CN1CC[C@H]1CN(C)C(=O)C[C@H]1COC(=O)C1 1233610373 HZEOWCLZCUDNMM-OLZOCXBDSA-N 323.393 -0.226 30 20 DBED CC#CCN1CC[C@H]1CN(C)C(=O)[C@@H](C)NS(=O)(=O)CC 1234446030 MQJSNOMHJJMHJG-OLZOCXBDSA-N 315.439 -0.130 30 20 DBED C#CCSCCNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C 1261381068 XMOBLLSTUGWYTA-QWRGUYRKSA-N 313.423 -0.302 30 20 DBED COCCCNC(=O)[C@@H](C#N)C(=O)c1ccnc2c1nnn2C 1263293725 YHLVAQYGLKXXTE-JTQLQIEISA-N 316.321 -0.162 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)c2cncnc2C)C1 1316970835 QERUZORVXGAWML-LBPRGKRZSA-N 301.350 -0.661 30 20 DBED C=CCN(C(=O)c1cc(C(N)=O)c[nH]1)[C@@H]1CCS(=O)(=O)C1 1319006973 YFZZJSZYORESDA-SNVBAGLBSA-N 311.363 -0.071 30 20 DBED C#CCSCCNC(=O)C(=O)N[C@H]1CC(=O)N(C(C)C)C1 1322429900 ROMNMYNNBBOXEI-NSHDSACASA-N 311.407 -0.406 30 20 DBED COc1ccc(CNC(=O)C(=O)N2CCO[C@H](C#N)C2)cn1 1322971004 LRWZJDYOLXXLDW-LLVKDONJSA-N 304.306 -0.543 30 20 DBED CN(C)CCOCCNC(=O)C(=O)N1CCC(C)(C#N)CC1 1323279293 SGPDEJHHZMHAFO-UHFFFAOYSA-N 310.398 -0.167 30 20 DBED COCC#CC(=O)NCCS(=O)(=O)N1CCSCC1 1328790351 BPJPLZULPBSLPV-UHFFFAOYSA-N 306.409 -0.869 30 20 DBED NC(=O)C1(NC(=O)CCN/C(O)=C2\N=CC=CC2=O)CCCC1 1330360170 RKWSIMVQFIEHOU-OUKQBFOZSA-N 320.349 -0.183 30 20 DBED C=CCOCCNC(=O)C(=O)N[C@@H]1C[C@@H](OCC)[C@@H]1OC 1330762271 VBYDKJBKAABEEJ-IJLUTSLNSA-N 300.355 -0.386 30 20 DBED CCn1cc([C@@H]2C[S@@](=O)CCN2C(=O)NCC#CCO)cn1 1332333423 BFWKECQJVWOMAQ-XMHCIUCPSA-N 324.406 -0.286 30 20 DBED CC1(C)OCC(NC(=O)C(=O)Nc2cnn(CC#N)c2)CO1 1337767992 YYDKETBTKVTWDK-UHFFFAOYSA-N 307.310 -0.387 30 20 DBED C=CCC1(O)CCN(C(=O)C(=O)N2CCNC(=O)[C@@H]2C)CC1 1338026047 YHVIRFKZQVLPCY-NSHDSACASA-N 309.366 -0.737 30 20 DBED C=CCn1c(C(N)=O)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1340258194 GVSPPDBLXROGSZ-HZMBPMFUSA-N 307.354 -0.053 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)C(=O)N2CCOC[C@H]2C2CC2)C1 1345974192 WPFCXWXWOHYUAH-SWLSCSKDSA-N 307.350 -0.499 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCCC[C@H]1C1OCCO1 1346544201 SIYBFNCLLGPUBU-LBPRGKRZSA-N 310.350 -0.494 30 20 DBED C[C@@H](CNC(=O)Cn1cc(C#N)c(O)nc1=O)CN1CCCC1 1361874333 BDVKFIDNUMHCBW-NSHDSACASA-N 319.365 -0.331 30 20 DBED C[C@H]1[C@H](C)N(C(=O)Cn2cc(C#N)c(O)nc2=O)CCN1C 1362574745 BVGJNPOKYGZKGB-UWVGGRQHSA-N 305.338 -0.628 30 20 DBED COc1cc(C#N)ccc1OCC(=O)N[C@H]1C[C@H](O)[C@H](O)C1 1363617169 LQDYOBPWNKRNIT-CNDDSTCGSA-N 306.318 -0.054 30 20 DBED CCOC(=O)[C@@H](CO)NS(=O)(=O)c1ccccc1CC#N 1363963367 GWCSOSFBRZARFH-LLVKDONJSA-N 312.347 -0.045 30 20 DBED N#C[C@@H]1CN(C(=O)NCCS(=O)(=O)N2CCCC2)CCO1 1365441513 YMDYZBJROCALCG-LLVKDONJSA-N 316.383 -0.654 30 20 DBED C[C@H](C#N)C(=O)NCCN1CCN(Cc2ncccn2)CC1 1376075771 BNBXOJHHPOEFLK-CYBMUJFWSA-N 302.382 -0.130 30 20 DBED C[C@@H](C#N)C(=O)N(C)C1CCN(C(=O)CN2CCOCC2)CC1 1381573437 APACOCCXDWMJEE-ZDUSSCGKSA-N 322.409 -0.072 30 20 DBED C[C@@H](CNC(=O)[C@H](C)C#N)NC(=O)c1ccc(C(N)=O)cn1 1389410866 KTBSGVPECVYLJN-BDAKNGLRSA-N 303.322 -0.425 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CCCN1C(=O)CCn1cnnn1 1391109727 KETYHTLQPSGHKX-WDEREUQCSA-N 305.342 -0.670 30 20 DBED CC(C)S(=O)(=O)CC(=O)NC[C@H]1CCN1C(=O)[C@@H](C)C#N 1393330177 TVCNTPKZKBZDMW-WDEREUQCSA-N 315.395 -0.314 30 20 DBED CN(CCNC(=O)c1cnnc(O)c1)C(=O)c1ccc(C#N)[nH]1 1397942961 NGTDWLOJIDJLHS-UHFFFAOYSA-N 314.305 -0.116 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CC[C@H](NC(=O)[C@H]2CCC(=O)N2)CC1 1399229224 SUXYPDLOTOOHGY-FIQHERPVSA-N 306.366 -0.032 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)COc1ccc(F)cc1 1399825008 GXQSNYVOHBDNBT-JQWIXIFHSA-N 323.324 -0.043 30 20 DBED CCCS(=O)(=O)CC(=O)NC[C@H](C)NC(=O)[C@@H](C)C#N 1400292591 GKROPVGUSUEWHK-UWVGGRQHSA-N 303.384 -0.408 30 20 DBED CCS(=O)(CC)=NS(=O)(=O)NCCn1cnc(C#N)n1 1413344728 LHNRXZYOZZYNRB-UHFFFAOYSA-N 320.400 -0.508 30 20 DBED COCCN(CCC#N)S(=O)(=O)N(C)Cc1ncc[nH]1 1413415365 BUYIADZQCAHYLB-UHFFFAOYSA-N 301.372 -0.052 30 20 DBED CC(C)S(=O)(=O)CC(=O)N[C@H](C)CNC(=O)[C@@H](C)C#N 1415259825 UCKXLISEHMHLJH-VHSXEESVSA-N 303.384 -0.410 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCN(C)[C@@H](C)C(=O)NC(=O)NC1CC1 1422153234 SBXDWJSYYAQGCE-QWRGUYRKSA-N 323.397 -0.087 30 20 DBED CCOC[C@H](C)CS(=O)(=O)NCCn1cnc(C#N)n1 1424035122 XCHXIGSBVNHNIU-JTQLQIEISA-N 301.372 -0.258 30 20 DBED CCS(=O)(=O)CC(=O)N1CC[C@H](NC(=O)[C@H](C)C#N)C1 1429873741 OENSDPYIJZJPTP-ZJUUUORDSA-N 301.368 -0.702 30 20 DBED Cc1cnn(CCC(=O)NC[C@@H](O)CNC(=O)[C@H](C)C#N)c1 1431544688 GNBUUXRYCXSSDF-VXGBXAGGSA-N 307.354 -0.665 30 20 DBED C[C@@H](C[C@@H]1CCOC1)NC(=O)Cn1cc(C#N)c(O)nc1=O 1433808436 QYWZNCPBVCBEQT-UWVGGRQHSA-N 306.322 -0.248 30 20 DBED C[C@H](C#N)C(=O)N(C)CCN(C)Cc1nnc2n1CCOC2 1438863566 HNHYBXCQANYXMK-LLVKDONJSA-N 306.370 -0.142 30 20 DBED CCN(CCNC(=O)c1ncn(C)n1)C(=O)c1c[nH]c(C#N)c1 1449375437 TZVKYTMRMJORQS-UHFFFAOYSA-N 315.337 -0.093 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H]1CNCC(=O)NC 1483933406 IQWLYKXOEQHLOX-KGLIPLIRSA-N 306.410 -0.589 30 20 DBED CC(=O)NCC(=O)N(C)C[C@H](O)CNCc1ccc(C#N)cc1 1486256229 BALUZMVCMUKKFB-OAHLLOKOSA-N 318.377 -0.397 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)CN(C)C(=O)C2CC2)C1 1494759304 ROAYHIXFTLBOOU-CQSZACIVSA-N 307.394 -0.305 30 20 DBED COCC#CCN[C@H]1CCN(C(=O)[C@@]2(C)CCNC(=O)C2)C1 1567097982 XLWJRBXGGRDVJS-BBRMVZONSA-N 307.394 -0.257 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@@H]1CCCN(C(=O)CNC(=O)O)C1 1573311719 XICUOMHYWXQRPM-RYUDHWBXSA-N 324.381 -0.780 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2[C@H]3CCNC[C@H]32)CC1 1574706566 DZRDDHQEFOYQRK-SQWLQELKSA-N 318.421 -0.874 30 20 DBED CN(C)C(=O)NCCN(C)c1cnc(C#N)c(-c2nn[nH]n2)n1 1578960225 KQRLMLKKJNNCRU-UHFFFAOYSA-N 316.329 -0.764 30 20 DBED N#CCCn1ccc(NC(=O)[C@@]23CNC[C@@H]2CS(=O)(=O)C3)n1 1580052900 YFLQSSLCCAKHRC-ZWNOBZJWSA-N 323.378 -0.631 30 20 DBED N#Cc1cn(C2CN(C(=O)C3=CC[C@H](N)C3)C2)c(=O)nc1O 1580080953 MQGRVFVQFTXWMN-JTQLQIEISA-N 301.306 -0.749 30 20 DBED C[C@H]1CN(S(=O)(=O)c2ccc(C#N)cn2)C[C@@H](C(=O)O)O1 1599930917 NEKKQNSMZBUYGG-WPRPVWTQSA-N 311.319 -0.184 30 20 DBED N#CC1(CS(=O)(=O)N2C[C@@H](C(=O)O)C[C@@H](O)C2)CCC1 1601057632 DOFAGIJMJDNCII-VHSXEESVSA-N 302.352 -0.223 30 20 DBED C#CCN1CCC(C(=O)N(CCC(=O)OC)CC(=O)O)CC1 1602701142 YGVPVUSEYDWGON-UHFFFAOYSA-N 310.350 -0.192 30 20 DBED C[C@](C#N)(CC(=O)O)C(=O)OC[C@@H]1CCN(S(C)(=O)=O)C1 1602781973 MUEDUZVUDWTOKP-BXKDBHETSA-N 318.351 -0.184 30 20 DBED C=CCN1C(=O)C(=O)N(Cc2ncc(-c3nn[nH]n3)cn2)C1=O 1602862065 AZQTWLALJGXUCG-UHFFFAOYSA-N 314.265 -0.867 30 20 DBED CCn1c([C@@H]2C[C@H]2C#N)nnc1N1CCO[C@@H](C(=O)NC)C1 1646709518 RHZFWBGJVZNBTG-HBNTYKKESA-N 304.354 -0.124 30 20 DBED C#CCNC(=O)CN1CCC[C@@H](NC(=O)c2cn(C)c(O)n2)C1 1692098386 RIPRSAOQRNWQOF-LLVKDONJSA-N 319.365 -0.931 30 20 DBED C=CCNC(=O)CN[C@H]1C[C@@H](NC(=O)[C@@H]2CCNC(=O)C2)C1 1752748977 JCENDTBBTOGTRG-UTUOFQBUSA-N 308.382 -0.948 30 20 DBED CCc1cc(C(=O)NCCN(CC)CC(=O)NCC#N)nn1C 1753095914 KRYJSPJAFYCREY-UHFFFAOYSA-N 320.397 -0.326 30 20 DBED COCC#CCN1[C@H]2CC[C@H]1CN(C(=O)[C@H]1CCCNC1=O)C2 1753307524 XIWXKUPCZSAUSS-KKUMJFAQSA-N 319.405 -0.162 30 20 DBED CC#CCNC[C@@](C)(NC(=O)[C@@H](C)NS(C)(=O)=O)C1CC1 1753525264 VUKLBJHQXASMBQ-BXUZGUMPSA-N 315.439 -0.178 30 20 DBED CC(C)(C)C[C@@H]1C[C@H]1C(=O)NC[C@@H](O)CNCC(=O)NCC#N 1753919275 FFDBOGZTJYPVHB-RWMBFGLXSA-N 324.425 -0.235 30 20 DBED C=CCNC(=O)[C@H](C)N1CC2(C[C@@H](NC(=O)C(F)F)CO2)C1 1755056349 ALHQROFRDBPVDU-VHSXEESVSA-N 317.336 -0.098 30 20 DBED C#CCN[C@H](C)[C@@H](C)NC(=O)Cn1[nH]cc2c(=O)ncnc1-2 1755260484 QLZQADYLEFVDCP-NXEZZACHSA-N 302.338 -0.813 30 20 DBED CC#CCN1CC(CCO)(NC(=O)c2ncc(OC)cn2)C1 1755333561 DBVFEIPSGKYANG-UHFFFAOYSA-N 304.350 -0.325 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC(CCO)(NC(=O)c2cnco2)C1 1755335461 IPPARODYFAAPSL-LLVKDONJSA-N 322.365 -0.468 30 20 DBED C#CCCNC[C@H]1CC[C@H](NC(=O)CN2CC(=O)N(C)C2=O)C1 1755746286 GPYKGBYYXIVRCU-STQMWFEESA-N 320.393 -0.222 30 20 DBED COCC#CCNC[C@H](O)CN(C)C(=O)c1c[nH]nc1C1CC1 1755790608 BXHJPCHOVYMDTL-ZDUSSCGKSA-N 320.393 -0.041 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H](C)N(C)C(=O)Cn1cccn1 1756026757 KPOIKJSHDHANHG-OLZOCXBDSA-N 306.366 -0.116 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H](CO)NC(=O)COCC)nc1 1756537239 AGNXHATVRHUTAZ-LBPRGKRZSA-N 305.334 -0.694 30 20 DBED C#CCOCCC(=O)N(C)C[C@@H](O)CNC(=O)c1cn(C)cn1 1756662291 FOEIVXVCQVWSMX-LBPRGKRZSA-N 322.365 -0.991 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(C(=O)c2n[nH]cc2F)C[C@H]1O 1756992295 SNMDEVKANYZXBE-GHMZBOCLSA-N 308.313 -0.346 30 20 DBED C=C(Br)Cn1nnnc1N1CCC(O)(CO)CC1 1771993108 XMETVAKDUGEMHC-UHFFFAOYSA-N 318.175 -0.095 30 20 DBED C#CCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CNC(=N)N 1795985073 VNEUVOOYIRVJQR-CLLJXQQHSA-N 319.409 -0.089 30 20 DBED C[C@@H](NC=O)C(=O)N1CCCC12CN(C(=O)C#CC1CC1)C2 1845176474 AJNNYUSUQAAXND-GFCCVEGCSA-N 303.362 -0.262 30 20 DBED CC[C@@H](C)NC(=O)CCNc1c(C#N)c(=O)n(C)c(=O)n1C 52448240 CMDRLTGHJXBDKX-SECBINFHSA-N 307.354 -0.328 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)CCn2cccn2)CC1 54482977 GIEVCLMTVZVONL-UHFFFAOYSA-N 305.382 -0.280 30 20 DBED C=CCN(CC(=O)NC(=O)NC1CC1)[C@@H]1CCS(=O)(=O)C1 66559747 UGXHKEMOBVCDIV-LLVKDONJSA-N 315.395 -0.350 30 20 DBED C=CCNC(=O)NC(=O)CN1CCc2nn(C)c(=O)cc2C1 78623131 FBOUTISQMBMRQN-UHFFFAOYSA-N 305.338 -0.850 30 20 DBED CN(C)C[C@](C)(O)CNC(=O)C(=O)Nc1cccc(C#N)c1 131983985 SRMNGUDFBXAFND-OAHLLOKOSA-N 304.350 -0.074 30 20 DBED N#C[C@H]1CN(C(=O)CN2CCN(c3ccccn3)CC2)CCO1 173162094 UGNCXTHCXRHMSD-AWEZNQCLSA-N 315.377 -0.045 30 20 DBED C/N=C(/NC[C@]1(O)CCSC1)N1CCN(C(C)=O)CC1 262474440 ZONJCHJCBGBSIS-CYBMUJFWSA-N 300.428 -0.406 30 20 DBED COCCn1cc(CNc2c(C#N)c(=O)n(C)c(=O)n2C)cn1 281868380 KRPMFKZRLROSQZ-UHFFFAOYSA-N 318.337 -0.589 30 20 DBED CS(=O)(=O)NC(=O)CCNC(=O)c1cc(C#N)cs1 282269818 PTDIKFCQFBMEPH-UHFFFAOYSA-N 301.349 -0.185 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N1CCN(c2cnccn2)CC1 282742227 FOWWJHYWISMTJL-GFCCVEGCSA-N 324.410 -0.065 30 20 DBED C=CCCOCCNC(=O)C(=O)N1CCC[C@@H](CC(N)=O)C1 289466581 VSJSOSSDSPIVSS-LBPRGKRZSA-N 311.382 -0.191 30 20 DBED CN(C)c1cc(C#N)cc(C(=O)NCCN2CCNC(=O)C2)c1 293430662 IXLFVYXUXAODQJ-UHFFFAOYSA-N 315.377 -0.214 30 20 DBED Cn1c(=O)c2cc(NC(=O)CSCC#N)cnc2n(C)c1=O 298511790 ORHCXJGBAGKLDG-UHFFFAOYSA-N 319.346 -0.173 30 20 DBED COCCN1CN(/C(O)=N/C[C@@H]2CC[C@H](C(=N)O)O2)CC1=O 328741326 NLTXXGWOFJKRLU-VHSXEESVSA-N 314.342 -0.269 30 20 DBED CN1CCO[C@@H](CN/C(O)=N/CCN2CCOC(C)(C)C2)C1 329115878 NAJBVORDDNVIFR-ZDUSSCGKSA-N 314.430 -0.069 30 20 DBED Cc1nc2n(n1)C[C@@H](N/C(O)=N/CC(=O)N1CCOCC1)CC2 329253327 ZBUHAWTYXNJLAG-NSHDSACASA-N 322.369 -0.736 30 20 DBED COCCN1CCN(/C(O)=N/C[C@@H]2COCCO2)C[C@@H]1C 329644112 JAUBOJJYQPARGW-QWHCGFSZSA-N 301.387 -0.032 30 20 DBED Cc1nnc2n1C[C@H](C/N=C(/O)NC[C@@H]1CN(C)CCO1)CC2 329681477 YFXAGJJDCNPLGQ-QWHCGFSZSA-N 322.413 -0.017 30 20 DBED Cn1nnc(C/N=C(/O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)n1 330208219 GOWGZDUSNYWCME-LDDIKCJXSA-N 316.321 -0.526 30 20 DBED Cn1cc([C@]2(C)CN(/C(O)=N/Cc3nnn(C)n3)CCO2)cn1 330241242 WDCLYKLGHSLQDE-ZDUSSCGKSA-N 320.357 -0.395 30 20 DBED CC(C)/N=C(/O)N1CCO[C@@H](CNc2nccn(C)c2=O)C1 331219527 SUBUDHJKZAPTAY-NSHDSACASA-N 309.370 0.215 30 20 DBED C[C@H]1N(S(=O)(=O)N2CCO[C@@H](C#N)C2)CCOC1(C)C 336943228 LCIVFKNBMOWANJ-MNOVXSKESA-N 303.384 -0.045 30 20 DBED CC(C)(CCCO)CNS(=O)(=O)N1CCO[C@H](C#N)C1 336953953 XCWNORFLSDZXMN-LLVKDONJSA-N 305.400 -0.156 30 20 DBED CCN(CCC#N)S(=O)(=O)N1[C@H]2CC[C@H]1CC(=O)NC2 337072070 PCOJUBATBHSHMK-QWRGUYRKSA-N 300.384 -0.180 30 20 DBED C=CCNC(=O)NC(=O)CN1C[C@H](C)S(=O)(=O)[C@@H](CC)C1 347323478 VRSXCJYPUNQEIT-QWRGUYRKSA-N 317.411 -0.104 30 20 DBED C=CCNC(=O)CNC(=O)CCN1C(=O)[C@H]2CCCC[C@H]2C1=O 347887702 BSAPURANZJIQDG-TXEJJXNPSA-N 321.377 -0.030 30 20 DBED CC#CCCNC(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1 352094131 XGTYSDCIPURXJN-UHFFFAOYSA-N 309.347 -0.198 30 20 DBED C=C(C)COCCNC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 354041322 HYXVBFBSFYDISK-RFHZTLPTSA-N 322.361 -0.142 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCCc2ccn(C)n2)C1=O 354737373 JAKMBBNOXWZCMM-UHFFFAOYSA-N 319.321 -0.944 30 20 DBED N#CCCNC(=O)CNS(=O)(=O)c1c[nH]c2ncccc12 355552078 YUQHPOHGTZPSLM-UHFFFAOYSA-N 307.335 -0.129 30 20 DBED N#CCNC(=O)CNC(=O)N[C@H]1COc2ccccc2[C@@H]1O 365813304 MOMPCUYPICTGRL-GWCFXTLKSA-N 304.306 -0.580 30 20 DBED C[C@H](C(=O)N[C@@H]1CC(=O)N2CCCC[C@@H]12)n1cnc(C#N)n1 554754292 PWBOSXOCLAEUKZ-MXWKQRLJSA-N 302.338 -0.020 30 20 DBED Cc1cc(NC(=O)C(=O)N2CCN(C)C(=O)C2)ncc1C#N 570224172 PGHGVUVCJWWARY-UHFFFAOYSA-N 301.306 -0.499 30 20 DBED N#Cc1ncn(CCNC(=O)Cn2nnc3c2CCCC3)n1 578246436 RFOQDQZIXPRNSY-UHFFFAOYSA-N 300.326 -0.564 30 20 DBED C[C@H]1CN(C(=O)NCC(=O)NCC#N)C[C@H](C(F)(F)F)O1 588746496 JFSFRQLDYIVGRK-JGVFFNPUSA-N 308.260 -0.013 30 20 DBED CC(C)[C@@H](C#N)N1CCN(C(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)CC1 597046645 JNZFYBFMZWEHLP-KBUPBQIOSA-N 323.393 -0.908 30 20 DBED COCCOCCN(CCO)S(=O)(=O)N(C)CCC#N 599390074 DFSVXKBKDGDZRC-UHFFFAOYSA-N 309.388 -0.966 30 20 DBED C=CCNC(=O)NC(=O)Cn1cc(CN2CCSCC2)nn1 603173346 OSSSOLQESHTEBX-UHFFFAOYSA-N 324.410 -0.161 30 20 DBED COCCN1CC[C@H](NC(=O)NC2CCN(CC#N)CC2)C1 609920045 WEEBQISWEQASMV-AWEZNQCLSA-N 309.414 -0.006 30 20 DBED C=C(CNC(=O)c1cncn1C)CNC(=O)c1cncn1C 620749665 IQADKYDDYADCAM-UHFFFAOYSA-N 302.338 -0.130 30 20 DBED CC#CC[C@@H](CO)NC(=O)NCC(C)(C)NS(C)(=O)=O 645277239 MXHCMOFQTSMWRQ-JTQLQIEISA-N 305.400 -0.612 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)c1cnc2ncnn2c1CC 744707512 ZTXHWKWNENANCA-VIFPVBQESA-N 301.306 -0.019 30 20 DBED C[C@@H](C(=O)OCc1cc(O)n2ncc(C#N)c2n1)S(C)(=O)=O 783030520 VCTPVEQSMUVFGE-ZETCQYMHSA-N 324.318 -0.217 30 20 DBED C#CCOCCNC(=O)N[C@H]1CCN(CCN2CCOCC2)C1 784367913 CWEJXHOINNNFSE-HNNXBMFYSA-N 324.425 -0.658 30 20 DBED CC(=O)N1CCN(c2cccc(S(N)(=O)=O)c2C#N)CC1 784543495 YMIKSQVJNWLNKM-UHFFFAOYSA-N 308.363 -0.126 30 20 DBED N#C[C@@]1(F)CCN(C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)C1 786668429 IKXJIPNWDVBYGN-ZDUSSCGKSA-N 324.337 -0.052 30 20 DBED CS(=O)(=O)NC(=O)CCNC(=O)c1cccc(CC#N)c1 800552885 FUBWEJTXQKJWBK-UHFFFAOYSA-N 309.347 -0.052 30 20 DBED CS(=O)(=O)NC(=O)CCNC(=O)Cc1ccccc1CC#N 800553491 OQOSNHAUHJOMRM-UHFFFAOYSA-N 323.374 -0.123 30 20 DBED Cc1cc(NN=Cc2c(N(C)C)n(C)c(=O)n(C)c2=O)ncn1 807971402 UFPRHYKDJCRWMY-UHFFFAOYSA-N 317.353 -0.306 30 20 DBED C#C[C@H](NC(=O)C(=O)NCCCO[C@H]1CCOC1)[C@H]1CCCO1 808274137 KMSMFXPEHNJFGU-MELADBBJSA-N 324.377 -0.405 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCN(CCOC)CC1)[C@@H]1CCCO1 809307158 ZQQKJEOUTCAZMF-KBPBESRZSA-N 323.393 -0.926 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCC(O)(COC)CC1)[C@@H]1CCCO1 809311845 WJEMDPYMBDNYLJ-STQMWFEESA-N 324.377 -0.717 30 20 DBED CC(C)[C@H](C#N)N1CCN(C(=O)CN[C@@]2(C)CCOC2=O)CC1 810096560 QOMPYXVNNCWLCP-BBRMVZONSA-N 322.409 -0.026 30 20 DBED CC#CCS(=O)(=O)NC(=O)[C@]12CCC(=O)N1CCS2 810777173 WDPUBTITRJLYAR-LLVKDONJSA-N 302.377 -0.479 30 20 DBED O=C(CN1CCOCC1=O)NCc1ccc(C(=O)NO)cc1 816403024 UYBLRVZBLMBHBW-UHFFFAOYSA-N 307.306 -0.719 30 20 DBED O=C(N[C@H]1CCCN(O)C1=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 820482365 IDRYJBWBKWGVCC-SFYZADRCSA-N 323.271 -0.106 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)NC[C@@H](C)S(C)(=O)=O 828413968 ZKUVVCFDYINJIG-LLVKDONJSA-N 318.395 -0.966 30 20 DBED C=CCS(=O)(=O)NC(=O)CC1CCN(S(C)(=O)=O)CC1 847669390 HZHCHHPWHNSPHU-UHFFFAOYSA-N 324.424 -0.320 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N[C@@H]2CCCC23OCCO3)CCO1 851815803 SVLJHGZSARZOLY-GHMZBOCLSA-N 317.367 -0.659 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)NCC2SCCS2)CCO1 851835504 XUKCQQTYRVWREK-MRVPVSSYSA-N 309.438 -0.149 30 20 DBED CS(=O)(=O)CCNN=C1CS(=O)(=O)Cc2ccccc21 853307019 AOGIUICFQVPWGG-UHFFFAOYSA-N 316.404 -0.047 30 20 DBED C#C[C@@](C)(CC)NC(=O)c1nc(N)nc(N2CCOCC2)n1 854703900 GCSWMFCRIYTYSK-AWEZNQCLSA-N 304.354 -0.178 30 20 DBED CC[C@H]1COCCN1CCNC(=O)[C@@H](C)n1cnc(C#N)n1 874707983 HRTBHKXKOJUYOH-NEPJUHHUSA-N 306.370 -0.062 30 20 DBED CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1C[C@H]2C(=O)N(C)C(=O)[C@H]2C1 879532684 VNWYQIZTGQWGPK-YMEQNVIZSA-N 320.393 -0.024 30 20 DBED C#CCN1CCC[C@@H](NS(=O)(=O)C[C@H](COC)OC)C1 885509219 PZIRLIOTEKDOJM-OLZOCXBDSA-N 304.412 -0.335 30 20 DBED C#CCNS(=O)(=O)N1CCN(C[C@](C)(O)C(F)F)CC1 886092150 PIZOPNDHQXACLF-NSHDSACASA-N 311.354 -0.912 30 20 DBED CN(C)CC#CCNC(=O)CN1C(=O)NC2(CCCC2)C1=O 913515180 MMTFZOPRBHQYMK-UHFFFAOYSA-N 306.366 -0.468 30 20 DBED C#CCN(CCn1cnc2c1c(=O)n(C)c(=O)n2C)C(C)C 932395678 HUZWYTVNDFAUEH-UHFFFAOYSA-N 303.366 -0.223 30 20 DBED Cc1nn(C)cc1C1=NO[C@H](C(=O)N2CCOC[C@H]2C#N)C1 933560312 SBEQBYZUCWBZNG-MFKMUULPSA-N 303.322 -0.028 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](NC(=O)c2cc(C(N)=O)co2)C1 942418615 RINXAQZDJDRYRA-PSASIEDQSA-N 304.306 -0.131 30 20 DBED C[C@H](NC(=O)c1c[nH]c(C#N)c1)[C@H]1CCCCN1C(=O)C(N)=O 953650108 XYCWLNJEBLWSRQ-JOYOIKCWSA-N 317.349 -0.129 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(N(C)C(=O)c2nnn(C)n2)CC1 954171391 DWNUKHPUUJNLMB-VIFPVBQESA-N 305.342 -0.567 30 20 DBED C=CCN1C[C@H](O)[C@H](CNC(=O)c2cnn3cccnc23)C1 958309396 LAODFJPYUOYMFW-YPMHNXCESA-N 301.350 -0.062 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2cnc3n2CCCC3)C1 958344147 GFVHDUNPIZJOKJ-TZMCWYRMSA-N 302.378 -0.125 30 20 DBED C=CCN1C[C@@H](O)[C@H](CNC(=O)c2ccc(C(=O)NC)nc2)C1 958597328 CSGIOMPZWFOAEM-TZMCWYRMSA-N 318.377 -0.350 30 20 DBED N#Cc1cc(C(=O)N[C@H]2[C@@H]3CN(CC(=O)NC4CC4)C[C@@H]32)c[nH]1 958618296 QXUZITYPCOWDCM-NHAGDIPZSA-N 313.361 -0.175 30 20 DBED CC#CCN1C[C@@H](O)[C@@H](CNC(=O)c2ccc(C(N)=O)cc2)C1 958658067 TXKSPCJRZDNKDZ-LSDHHAIUSA-N 315.373 -0.169 30 20 DBED CN(C)c1ccnc(C(=O)NC[C@H]2CN(CC#N)C[C@H]2O)c1 958739882 GFENPKCAFYSABE-SMDDNHRTSA-N 303.366 -0.306 30 20 DBED C=CCCn1cc(C(=O)N[C@H]2[C@@H]3CN(CC(=O)NC)C[C@@H]32)nn1 961990245 RNODNBYLVUDJMI-YABSGUDNSA-N 318.381 -0.740 30 20 DBED CN(C)CCn1cc(C(=O)N[C@H]2[C@@H]3CN(CC#N)C[C@@H]32)cn1 962016826 LULBIBDZJXJVJR-WDNDVIMCSA-N 302.382 -0.372 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CN(C(=O)c3cn(C)cn3)CCO2)C1 965356244 NBBQRQHPOFNDMW-NSHDSACASA-N 317.349 -0.367 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CN(C(=O)c3cncnc3)CCO2)C1 965363646 RGBUZEAFYOQXTE-NSHDSACASA-N 315.333 -0.310 30 20 DBED C#CCN1CC[C@H](C)[C@H](NC(=O)c2cn(CCOC)nn2)C1 966000109 JWKSLMQZBUGOKZ-QWHCGFSZSA-N 305.382 -0.002 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@H](NC(=O)c2cnnc(O)c2)C1 966818770 DGCDHHQNDDJGRM-MNOVXSKESA-N 320.349 -0.304 30 20 DBED C#CCN1CC[C@H](C)[C@@H](NC(=O)CN2CCN(C)C(=O)C2)C1 967027387 AVHNKQIZJSYZEX-KBPBESRZSA-N 306.410 -0.780 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC(N2CCN(C(C)=O)CC2)C1 967170609 XNIMSJGJAXXNIV-INIZCTEOSA-N 318.421 -0.541 30 20 DBED C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2cnc(O)n(C)c2=O)C1 967700121 FVRIZVHIVWEZOH-YPMHNXCESA-N 318.377 -0.051 30 20 DBED C[C@@H](NC(=O)c1cn(C[C@@H]2CCOC2)nn1)C1CN(CC#N)C1 970661434 AVVOTXGHNZIDPB-NEPJUHHUSA-N 318.381 -0.112 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](N(C)CCN2C(=O)CNC2=O)C1 971210444 HNGQWIDFHSEODL-QWRGUYRKSA-N 307.354 -0.769 30 20 DBED CN(CCN1C(=O)CNC1=O)[C@H]1CCN(C(=O)C#CC2CC2)C1 971510278 CFUQCTSPVLHOAP-ZDUSSCGKSA-N 318.377 -0.516 30 20 DBED C#CCN(C)[C@H]1CCN(C(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 971526008 SLZGYOINRNAVIX-STQMWFEESA-N 315.377 -0.072 30 20 DBED C#CCN(C)[C@H]1CCN(C(=O)c2coc(S(N)(=O)=O)c2)C1 971815253 ZVCOQKGNSPWMAC-NSHDSACASA-N 311.363 -0.294 30 20 DBED Cn1oc(C(=O)N2CC[C@]3(CN(CC#N)CCO3)C2)cc1=O 972354397 ZMYCOJWJOZIMNR-AWEZNQCLSA-N 306.322 -0.581 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)[C@H]3CCCNC3=O)C2)C1 972420431 VJSREAKNDUZFTI-BBRMVZONSA-N 305.378 -0.551 30 20 DBED N#CCN1CCO[C@]2(CCN(C(=O)[C@H]3CCC(=O)NC3)C2)C1 972444938 XKJPJYIIIXNXJR-SWLSCSKDSA-N 306.366 -0.661 30 20 DBED N#CCN1C[C@@H]2C(CNC(=O)[C@H]3CCCCS3(=O)=O)[C@H]2C1 978254539 WYFRQHCNFRPJRR-JHJVBQTASA-N 311.407 -0.229 30 20 DBED C[C@@H]1C[C@@H](CNCc2nnnn2C)CN1C(=O)C#CC1CC1 980574121 GTCQSHHLXJXNDU-YPMHNXCESA-N 302.382 -0.050 30 20 DBED N#Cc1cc(C(=O)NC[C@@H]2CCN(C(=O)c3cnn[nH]3)C2)c[nH]1 982963487 MJJJZUXEESGYFL-VIFPVBQESA-N 313.321 -0.103 30 20 DBED N#Cc1cc(C(=O)NC2CN(C(=O)[C@H]3CCCNC3=O)C2)c[nH]1 990936521 VTMFOOVRMPCKEV-LBPRGKRZSA-N 315.333 -0.647 30 20 DBED N#CCN1CC[C@]2(NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)CCC[C@H]12 992175170 TWRRXVCCAZVDKP-OZTPJHRESA-N 306.366 -0.344 30 20 DBED C=CC(C)(C)C(=O)N1CC(NC(=O)[C@@H]2COCCN2C(C)=O)C1 992502353 PUPWTFRSMOODRT-ZDUSSCGKSA-N 323.393 -0.227 30 20 DBED C=CCN[C@@H]1CCC[C@@H]2CN(C(=O)Cn3ncn(C)c3=O)C[C@@H]21 992746427 WSKFBBUGMLBMLA-HZSPNIEDSA-N 319.409 -0.016 30 20 DBED CC#CCN1CCC[C@H](NC(=O)c2nnc(O)nc2O)[C@H]1C 993547057 KZRCTTHLCAGCQZ-ZJUUUORDSA-N 305.338 -0.111 30 20 DBED C#CCN1CCC[C@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)[C@H]1C 993911868 BVNOMOOLJOSZMV-MNOVXSKESA-N 320.349 -0.991 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN(C(=O)c2c[nH]nc2C)C1 994753627 JJZCNQYCWSDEIK-AWEZNQCLSA-N 315.377 -0.244 30 20 DBED C=CC(C)(C)C(=O)N1CC(NC(=O)Cn2nc(C)n(C)c2=O)C1 997740396 CKFARLRLCLNJNY-UHFFFAOYSA-N 321.381 -0.571 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H](NCCN2C(=O)CNC2=O)C1 998750425 DDUQWMAGVMDBCD-QWRGUYRKSA-N 307.354 -0.722 30 20 DBED C=C(C)C(C)(C)C(=O)N1CC(NC(=O)CN2C(=O)CNC2=O)C1 1000137819 MGAYLYBPIMVCIN-UHFFFAOYSA-N 322.365 -0.533 30 20 DBED N#CCN1CCC[C@H](NC(=O)[C@@H]2CCc3nnnn3CC2)C1 1008593802 XUNCEFVRVNYFRQ-NEPJUHHUSA-N 303.370 -0.270 30 20 DBED Cc1nn[nH]c1C(=O)NC[C@H]1[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]12 1009335612 OENWMOZHKVTVNQ-WKJUBOCMSA-N 302.338 -0.293 30 20 DBED COCCn1cc(C(=O)N2[C@H]3CC[C@H]2CN(CC#N)C3)nn1 1017538641 OMESGSOAPPZISF-RYUDHWBXSA-N 304.354 -0.263 30 20 DBED O=C1NCC[C@H]1C(=O)N1CC[C@H]2CN(C(=O)C#CC3CC3)C[C@H]21 1022344626 IGMMUWDZUHBREF-BFHYXJOUSA-N 315.373 -0.405 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnc3n2CCC3)C1 1024355782 OFOMGWDQNJCWFS-HOSYDEDBSA-N 317.349 -0.710 30 20 DBED N#Cc1cc(C(=O)NC2CN(CC(=O)N3CCOCC3)C2)c[nH]1 1030237000 VTFJRQIGNFBYNR-UHFFFAOYSA-N 317.349 -0.841 30 20 DBED C=CCCN1CC(NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 1031116265 ITNWUVFYKWJJMN-UHFFFAOYSA-N 302.338 -0.552 30 20 DBED C=C(C)CCN1CC(CNC(=O)c2cn(C)c(=O)n(C)c2=O)C1 1032021389 RSKZYQUGAZGZDS-UHFFFAOYSA-N 320.393 -0.288 30 20 DBED COc1nc(C)ncc1C(=O)NC[C@H]1CN(CC#N)CCO1 1035391258 NCNXFCDRQAIVBT-NSHDSACASA-N 305.338 -0.252 30 20 DBED N#CCN1CCO[C@H](CNC(=O)c2cnc3n2CCOC3)C1 1035412787 SXJPHOWUOCSVEO-LLVKDONJSA-N 305.338 -0.633 30 20 DBED C=CCN1CCO[C@H](CNC(=O)c2nc(O)nc(O)c2OC)C1 1035574256 OSXWQQQBMKGFAA-SECBINFHSA-N 324.337 -0.487 30 20 DBED C#CCCN1[C@H]2CCC[C@H]1CN(C(=O)Cn1ncn(C)c1=O)C2 1039706997 HUQYKJWVSQAKBG-KBPBESRZSA-N 317.393 -0.330 30 20 DBED Cc1ccc(C(=O)NCC2(O)CN(C(=O)[C@H](C)C#N)C2)cn1 1041497954 CYWXWNHXYREZEB-SNVBAGLBSA-N 302.334 -0.147 30 20 DBED C#CCCCCC(=O)N1CC(O)(CNC(=O)CN(C)C(C)=O)C1 1041574825 MRYYYJZJLJFYFT-UHFFFAOYSA-N 323.393 -0.652 30 20 DBED CC(C)[C@@H](O)C(=O)N1CC(O)(CNC(=O)c2ccc(C#N)[nH]2)C1 1042608609 HRZHVZOPJNTCLC-GFCCVEGCSA-N 320.349 -0.794 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)C2(CN(C)C)CC2)C1 1042799117 JIQLRXBZUYIRTG-UHFFFAOYSA-N 321.421 -0.179 30 20 DBED O=C(C#CC1CC1)NCC1(O)CN(C(=O)[C@@H](F)C(F)(F)F)C1 1042964363 DPZDSAJXGTWDDF-SNVBAGLBSA-N 322.258 -0.010 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)c2[nH]ccc2C)C1 1043040851 YGJMQVHCSTVIHU-GFCCVEGCSA-N 319.361 -0.335 30 20 DBED C=CCn1cc(C(=O)NCC2(O)CN(C(=O)[C@@H](C)CC)C2)nn1 1043104963 DRCFMJPZSDMVSG-NSHDSACASA-N 321.381 -0.187 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)CCc2cn[nH]c2)C1 1043218564 CMLFGQHWYIODFE-UHFFFAOYSA-N 318.377 -0.309 30 20 DBED C=CCCOCC(=O)NCC1(O)CN(C(=O)c2cc(C)[nH]n2)C1 1043563470 AGKNGGGPXAPVBU-UHFFFAOYSA-N 322.365 -0.386 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)CCc2cccnc2)C1 1043752708 OAOIVDVDJSXQHB-LBPRGKRZSA-N 316.361 -0.137 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)c2oncc2C)C1 1045681583 RYJYAYGTIJKENN-LLVKDONJSA-N 321.333 -0.676 30 20 DBED CN(C(=O)[C@@H]1CCc2ncncc2C1)[C@H]1CN(CC#N)C[C@@H]1O 1047406935 AKDSRKXBTAEKRZ-UGFHNGPFSA-N 315.377 -0.391 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2cn(C)c(C)cc2=O)C1 1047419191 STTIMUMEMBWMDC-HOCLYGCPSA-N 317.389 -0.166 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2cnn3c2OCCC3)C1 1047443557 IRBBKNMHDKFNQS-KBPBESRZSA-N 318.377 -0.194 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)C(=O)N2CCC[C@H]2CC)C1 1047588660 NTRRLUADCREOIZ-ILXRZTDVSA-N 321.421 -0.086 30 20 DBED C=CCN1CC[C@@H](N2C[C@H]3CN(C(=O)CC(N)=O)C[C@H]3C2)C1=O 1048733185 CFSITTSIGYLLTC-FRRDWIJNSA-N 320.393 -0.961 30 20 DBED C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)CN1CC(=O)NC1=O 1049791473 VJHHIBBNSLBSJD-RYUDHWBXSA-N 306.366 -0.211 30 20 DBED N#Cc1cncc(N2CC[C@H](NC(=O)c3cnon3)[C@@H](O)C2)n1 1051718421 OPPQFNOGXDLDLL-ONGXEEELSA-N 315.293 -0.899 30 20 DBED C#CCN1CCN([C@@H]2CCN(C(=O)C(C)(C)C(N)=O)C2)CC1 1052042117 YUQGOAXULSAPLS-CYBMUJFWSA-N 306.410 -0.650 30 20 DBED CC#CCN1CCN([C@@H]2CCN(C(=O)[C@@H]3CCNC3=O)C2)CC1 1052059153 CSGMZDNLHVZZOH-HUUCEWRRSA-N 318.421 -0.636 30 20 DBED N#Cc1nccnc1NC1CC(CNC(=O)[C@H]2CNC(=O)N2)C1 1052072003 AVTSQQQEZVZECG-NWGYLPEXSA-N 315.337 -0.664 30 20 DBED C#CCN1CCN([C@@H]2CCN(C(=O)[C@@]3(C)CCNC3=O)C2)CC1 1052082908 YAKZARHVEFXDSY-PBHICJAKSA-N 318.421 -0.636 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)C[C@H]1CCCC(=O)N1)CCO2 1053334591 YUYJMZNZDJGJLC-CQSZACIVSA-N 319.405 -0.018 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)[C@@H]1CCCCC(=O)N1)CCO2 1053421044 AZNILPZEGYAFMB-AWEZNQCLSA-N 319.405 -0.018 30 20 DBED C#CCN1CC2(CC[C@@H](CNC(=O)[C@@H]3CCN(C)C(=O)C3)O2)C1 1053619874 YSAUAQJUYPMVDG-KGLIPLIRSA-N 319.405 -0.162 30 20 DBED C[C@H]1CCCN(C(=O)C(=O)N[C@H]2COC3(C2)CN(CC#N)C3)C1 1053948009 DNUOOMRWAGXJIY-QWHCGFSZSA-N 320.393 -0.272 30 20 DBED C=C[C@](C)(O)CC(=O)N1C[C@H]2CN(C(=O)CNC(C)=O)C[C@H]2C1 1055132757 PGLJDGAGAXEPPX-ZENOOKHLSA-N 323.393 -0.634 30 20 DBED C=CCOCC(=O)N[C@]1(CO)CCCN(C(=O)c2cocn2)C1 1055831506 OTICRUOMXDUVJL-OAHLLOKOSA-N 323.349 -0.040 30 20 DBED Cc1cc(N2C[C@H]3C(NC(=O)Cn4cnnn4)[C@@H]3C2)c(C#N)cn1 1056127081 AXVBBYQTUSAICE-VXGBXAGGSA-N 324.348 -0.501 30 20 DBED CN1CCC[C@@H]1C(=O)NC1[C@H]2CN(c3nccnc3C#N)C[C@H]12 1056149568 MPSJDINQJMVWGI-GMXVVIOVSA-N 312.377 -0.007 30 20 DBED Cn1cc(C(=O)NC2[C@H]3CN(c4ncccc4C#N)C[C@H]23)nn1 1056199289 VFJVGXXEVBFNMT-QWRGUYRKSA-N 309.333 -0.054 30 20 DBED Cc1nc(CC(=O)N[C@H]2[C@@H]3CN(c4ccc(C#N)nn4)C[C@@H]32)n[nH]1 1056203945 QFRXUKOMNJFORJ-HBYGRHMLSA-N 324.348 -0.432 30 20 DBED Cc1cc(C#N)nc(N2C[C@H]3C(NC(=O)Cn4cncn4)[C@@H]3C2)n1 1056216112 IKQCTGRFBRVHHR-VXGBXAGGSA-N 324.348 -0.501 30 20 DBED Cc1nc(N2C[C@@H]3C(NC(=O)c4nnn(C)n4)[C@H]3C2)ccc1C#N 1056372082 HGTCEWWQMKDSMB-QWRGUYRKSA-N 324.348 -0.350 30 20 DBED C#CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)C(C)(C)F 1056779848 BTQUNRUXMZETQV-NSHDSACASA-N 302.346 -0.290 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCN(CCO)C(=O)COC(C)C 1057136750 XHKBGMUEHFAJTB-OAHLLOKOSA-N 316.398 -0.324 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)c1cn(C)c(=O)cn1 1057167532 RQCFPMMLDPDJES-UHFFFAOYSA-N 322.365 -0.703 30 20 DBED C#CCNC(=O)CC(=O)N(CCO)CCNC(=O)CC1(C)CC1 1057394104 HUIHDEKIYJAZSF-UHFFFAOYSA-N 323.393 -0.747 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)Cc1cncn1C 1057439390 KMWMCNCUKCRMLF-UHFFFAOYSA-N 320.393 -0.297 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)c1cnn(CC)n1 1057501712 QPJRJUPTBVDKDN-UHFFFAOYSA-N 309.370 -0.185 30 20 DBED CCn1ncc(C(=O)N[C@@H]2CCN(c3ccnc(C#N)n3)C2)n1 1058353500 IFODSWVYTCAHQV-SNVBAGLBSA-N 312.337 -0.032 30 20 DBED C[C@]1(C(=O)N[C@H]2CCN(c3cnc(C#N)cn3)C2)CCNC1=O 1058541482 LTLUHURPVWGMCU-BONVTDFDSA-N 314.349 -0.431 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)c1cc(C(N)=O)c[nH]1 1058557547 HSXZZNKMYSVERM-UHFFFAOYSA-N 322.365 -0.370 30 20 DBED C[C@@H]1OCCO[C@@H]1C(=O)N[C@@H]1CCN(c2ccnc(C#N)n2)C1 1058590538 GVIMOQBHYFWRNV-WDMOLILDSA-N 317.349 -0.153 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)[C@H](C)n1cccn1 1058653039 KXUAQQPXMQZEBF-RYUDHWBXSA-N 307.354 -0.459 30 20 DBED Cn1ncc(C(=O)N2[C@H]3CC[C@H]2CN(c2ccc(C#N)nn2)C3)n1 1058765681 ISUMQZUHGULRHI-RYUDHWBXSA-N 324.348 -0.030 30 20 DBED C#Cc1cncc(C(=O)N(CCO)CCNC(=O)[C@H](C)OC)c1 1058777623 NVXZAIOGQJVLPB-LBPRGKRZSA-N 319.361 -0.352 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)CCCn1cncn1 1058820096 JIJPDUBKWXUUPR-LBPRGKRZSA-N 322.369 -0.845 30 20 DBED N#Cc1ccc(N[C@H]2CCN(C(=O)[C@H]3CCC(=O)N3)C2)nn1 1058847559 JLUDSQGERHTAFQ-WDEREUQCSA-N 300.322 -0.360 30 20 DBED N#Cc1ccc(N[C@H]2C[C@H](NC(=O)[C@H]3COC(=O)N3)C2)nn1 1059212091 QXSWKLQPMBDHME-OPRDCNLKSA-N 302.294 -0.484 30 20 DBED C=CCOCC(=O)N1CC[C@@H](CCNC(=O)c2cnnn2C)C1 1059335001 KOKNRNVLRRQWPW-GFCCVEGCSA-N 321.381 -0.014 30 20 DBED CC(C)C#CC(=O)N1CC[C@@H](CCNC(=O)Cn2ncnn2)C1 1059610888 MRNBBNOEOAUYTQ-CYBMUJFWSA-N 318.381 -0.313 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@H]1CC[C@H](CNC(=O)C(N)=O)CC1 1060721698 ZUHVJVJHZAAXSH-UEKVPHQBSA-N 311.382 -0.410 30 20 DBED N#Cc1ccc(NC[C@@H]2CCN(C(=O)[C@@H]3COC(=O)N3)C2)nn1 1060865990 ZKPZEWWOCCGSHZ-ONGXEEELSA-N 316.321 -0.283 30 20 DBED C#CCOCCC(=O)N1CCOC[C@@H]1CNC(=O)CCOC 1061171582 GTSJUIIMXKVROT-ZDUSSCGKSA-N 312.366 -0.594 30 20 DBED C=CCCCC(=O)N1CCOC[C@H]1CNC(=O)[C@@H]1CNC(=O)N1 1061828165 PWTHVMVHPMFCPG-NEPJUHHUSA-N 324.381 -0.632 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(NC(=O)c2cnn[nH]2)CCC1 1063046593 NXUYWNNWPOPWCA-JTQLQIEISA-N 305.338 -0.388 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)[C@H]2CC(=O)N(C)C2)CCC1 1063327748 OOYFMTUCCPAYFJ-QWRGUYRKSA-N 306.366 -0.221 30 20 DBED C#CCO[C@H](C)C(=O)NC1(CNC(=O)[C@@H](C)CC(N)=O)CCC1 1063902514 DOMLLRPYWQEFGJ-NWDGAFQWSA-N 323.393 -0.309 30 20 DBED C=CCCOCC(=O)NC[C@@H]1CN(C(=O)c2cn[nH]c2)CCO1 1064900940 FSJOSDYYHAQWQM-CYBMUJFWSA-N 322.365 -0.040 30 20 DBED Cc1cc(C(=O)N2CCO[C@H](CNC(=O)[C@H](C)C#N)C2)nn1C 1064919539 LALLRKCHKORCGT-ZYHUDNBSSA-N 319.365 -0.155 30 20 DBED CO[C@H](C)C(=O)N1CCO[C@@H](CNC(=O)CSCC#N)C1 1064921585 ZWBHOOOCFFOFCP-MNOVXSKESA-N 315.395 -0.378 30 20 DBED C=CCCC(=O)N1CCO[C@H](CNC(=O)C[C@H]2CCNC2=O)C1 1064957785 QDPMZQNHVQIPRQ-CHWSQXEVSA-N 323.393 -0.178 30 20 DBED C[C@]1(NC(=O)[C@H]2C[C@H]2C(N)=O)CCN(c2cncc(C#N)n2)C1 1065328909 BFWQHGANHUQJGP-ZETOZRRWSA-N 314.349 -0.445 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@@H](N2CCN(C(C)=O)CC2)C1 1065703926 HGTGNKUUVSLVDC-UKRRQHHQSA-N 307.394 -0.210 30 20 DBED N#Cc1ccc(N2CCOC[C@H]2CNC(=O)[C@@H]2CCOC2)nn1 1066469423 CKOPGQOZJLIQDZ-DGCLKSJQSA-N 317.349 -0.294 30 20 DBED N#Cc1ccc(N2CCOC[C@@H]2CNC(=O)c2cocn2)nn1 1066470167 KVFCLQALVATILI-NSHDSACASA-N 314.305 -0.029 30 20 DBED N#Cc1nccnc1N1CC[C@@]2(CCCN(C(=O)C(N)=O)C2)C1 1066870333 WTEKGODOBMZMGQ-HNNXBMFYSA-N 314.349 -0.348 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCCN(C)C(=O)[C@@H](C)S(C)(=O)=O 1067739282 GFXIKEKVAYXIMB-WDEREUQCSA-N 317.411 -0.114 30 20 DBED C#CCOCCC(=O)N1CCOC2(C1)CN(C(=O)[C@H](C)OC)C2 1068397955 XWTZDBKKGOYDPG-ZDUSSCGKSA-N 324.377 -0.499 30 20 DBED CN(C(=O)[C@H]1CCNC1=O)C1CC(Nc2cnc(C#N)cn2)C1 1069788088 SAOLFLFVXFATTK-NHNAUAITSA-N 314.349 -0.114 30 20 DBED C#CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2cnn(C)c2)C1 1069895018 WTLZDFSWULSJKL-KGLIPLIRSA-N 313.365 -0.310 30 20 DBED N#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 1069907878 SURNCXPUCQZIFS-OLZOCXBDSA-N 310.321 -0.343 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)CN2CCC[C@@H]2C)C1 1070026796 HHCIGZMGPQBZSI-ZNMIVQPWSA-N 316.409 -0.263 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2cc(C)on2)C[C@@H]1n1ccnn1 1070134337 QRWBDTCFXRDTKV-OLZOCXBDSA-N 300.322 -0.137 30 20 DBED Cn1cnc(C(=O)N2C[C@H](n3ccnn3)[C@H](NCC#N)C2)c1 1070176766 QSOXWAUSIXOTIG-PWSUYJOCSA-N 300.326 -0.810 30 20 DBED CNC(=O)CN1C[C@H]2C[C@H]3CN(C(=O)[C@@H](C)C#N)C[C@@]3(C1)O2 1070771789 BRZRMDJNFDKKJW-UUIJZJDISA-N 306.366 -0.806 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)[C@H]2CCC(=O)N2)CC1 1070948588 SDPQPBOOMPKZSG-GFCCVEGCSA-N 308.382 -0.899 30 20 DBED C#CCCN1CCC2(C1)CN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)C2 1072976976 HUMCPCPXHWGNBR-QWHCGFSZSA-N 305.378 -0.423 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](NC(=O)C(F)F)[C@@H](C)C1 1073609701 NITMHRIZHFNLRE-VHSXEESVSA-N 315.320 -0.256 30 20 DBED CC#CCN1CCCO[C@@H](CNC(=O)[C@H]2CCC(=O)N2C)C1 1073741563 VTGSOPLDKSZOJO-UONOGXRCSA-N 307.394 -0.162 30 20 DBED N#CCN1CCCO[C@@H](CNC(=O)c2ccoc2CC(N)=O)C1 1073743393 VAZYPSHGVUCFKA-NSHDSACASA-N 320.349 -0.348 30 20 DBED C#CCCCC(=O)N1CC[C@@H](NC(=O)Cn2cnnn2)C[C@H]1C 1074808472 PPYFLTGVWYPGNQ-CHWSQXEVSA-N 318.381 -0.028 30 20 DBED C=CCN1C[C@@H]2CCN(C(=O)c3cn(C)c(=O)nc3O)[C@@H]2C1 1076566202 QECBCOISYLMBDC-CMPLNLGQSA-N 304.350 -0.182 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)C1 1077046240 IJRTWEXZNOHMDC-RBSFLKMASA-N 319.405 -0.571 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)Cn2ccc(O)nc2=O)C1 1077321667 HXSKUACOVYHVSX-VXGBXAGGSA-N 322.365 -0.924 30 20 DBED C[C@@H](CCNC(=O)[C@H]1CCNC1=O)NC(=O)c1ccc(C#N)[nH]1 1077731351 URIAKMSPSGMGRL-GXSJLCMTSA-N 317.349 -0.353 30 20 DBED C#CCOCCC(=O)N[C@@H](C)CCNC(=O)[C@H]1CCNC1=O 1077733771 UOUKELVCPKUKGW-NWDGAFQWSA-N 309.366 -0.827 30 20 DBED CCn1nc(C)c(CC(=O)N[C@@H]2CN(CC#N)C[C@H]2O)c1C 1078019254 KMTGWVHAMXZMCT-ZIAGYGMSSA-N 305.382 -0.253 30 20 DBED Cn1nc(C(=O)N[C@@H]2C[C@H](NCC#N)C23CCC3)ccc1=O 1078800126 IZZOEDGVDJXFNK-NWDGAFQWSA-N 301.350 -0.066 30 20 DBED C=C(C)CCN1C[C@@H](NC(=O)CN2CCNC(=O)C2)[C@H](C)C1 1080258133 RGYHYOSSMMZOKO-ZIAGYGMSSA-N 308.426 -0.179 30 20 DBED CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)c2cc(=O)n(C)cn2)C1 1080419909 JQYWXFVIGKLPAS-JTQLQIEISA-N 317.349 -0.387 30 20 DBED Cc1nn[nH]c1C(=O)NC1(CO)CCN(C(=O)[C@H](C)C#N)CC1 1080931322 OKUBABABMUCGOK-SECBINFHSA-N 320.353 -0.644 30 20 DBED CC(=O)NCC(=O)NC[C@H]1CN(C(=O)C#CC(C)(C)C)C[C@@H]1O 1081204164 FTSTWPSAVVSXRQ-STQMWFEESA-N 323.393 -0.893 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)c2cncnc2O)C[C@H]1O 1081337495 FWQMGWJFPBYDSY-CMPLNLGQSA-N 320.349 -0.303 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)Cc2cnoc2)C[C@H]1O 1081340642 FZWMCNPYGRKNNY-CHWSQXEVSA-N 323.349 -0.645 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2conc2C)C[C@@H]1O 1081344479 QNGCSAYLJMXDDT-YPMHNXCESA-N 323.349 -0.265 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)c2cnn(C)c2)C[C@H]1O 1081441234 GCJWMNSENQEYME-GXTWGEPZSA-N 318.377 -0.227 30 20 DBED CC(C)C#CC(=O)N1C[C@H](CNC(=O)CN2CCCC2)[C@@H](O)C1 1081499052 IBFWFXOVUQOCIO-GJZGRUSLSA-N 321.421 -0.323 30 20 DBED CC(C)C#CC(=O)N1C[C@H](CNC(=O)c2cncn2C)[C@@H](O)C1 1081582483 INFXANNNCBDIDC-JSGCOSHPSA-N 318.377 -0.371 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cn(CC)nn2)C1 1081724390 HZAMEYXSZKRZLP-YPMHNXCESA-N 321.381 -0.187 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)c2cnc3[nH]nnc3c2)C1 1083529469 QUVONLURGVGPEA-NEPJUHHUSA-N 300.322 -0.849 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2nc(C)c(C)[nH]c2=O)[C@@H](O)C1 1090352979 UJIMZZSZAOHYDF-NEPJUHHUSA-N 304.350 -0.815 30 20 DBED CO[C@H](C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1O)C1CC1 1090412649 CDCATCGXQMFCHI-UPJWGTAASA-N 317.349 -0.561 30 20 DBED C#CCN1CC[C@H](NC(=O)c2ccnc3c2ncn3C)[C@@H](O)C1 1090565758 GQRGHSPVZLMAIW-STQMWFEESA-N 313.361 -0.234 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CCN(CCCO)C[C@@H]2O)nc1 1090736281 HTIKZRUMARPJDK-HIFRSBDPSA-N 303.362 -0.390 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CCCC[C@H]1N=c1cc[nH]c(C#N)n1 1091231912 ACPAKGLYJBHPTL-VXGBXAGGSA-N 316.365 -0.254 30 20 DBED CC(=O)N[C@H](C)C(=O)N[C@H]1CCN(c2cncc(C#N)n2)[C@@H]1C 1091922558 JHXCIPZIDIIWIC-BREBYQMCSA-N 316.365 -0.044 30 20 DBED N#Cc1ccc(N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)CNC(N)=O)nn1 1092800122 XNOUVGWNOFBOGJ-VWYCJHECSA-N 315.337 -0.758 30 20 DBED CCC(=O)NCC(=O)NC1[C@@H]2CN(c3ccnc(C#N)n3)C[C@@H]12 1093236577 YYBHLSFGXSQCRO-NXEZZACHSA-N 314.349 -0.575 30 20 DBED CC(=O)N1CCOC[C@H]1C(=O)NCCNc1ccc(C#N)nn1 1093653239 LGIKNDNJTLVZKO-LBPRGKRZSA-N 318.337 -0.876 30 20 DBED C=CCN1CC[C@@H](NC[C@@H]2CN(C(=O)CC(N)=O)C[C@H]2C)C1=O 1093683484 RPRUUHIXWLOFBU-JHJVBQTASA-N 322.409 -0.667 30 20 DBED CC(=O)N1CCC[C@@H]1C(=O)NCCNc1cncc(C#N)n1 1093683949 NWBVLMFANOLFBY-GFCCVEGCSA-N 302.338 -0.113 30 20 DBED CCc1nc(C#N)cc(NCCNC(=O)[C@@H]2CC(=O)N(C)C2)n1 1094190455 JUFSLKVSMSPMRV-SNVBAGLBSA-N 316.365 -0.083 30 20 DBED CC#CCN1CC(N2C[C@@H](NC(=O)c3n[nH]cc3C)CC2=O)C1 1094735614 RUAZGPAMNNUYRF-LBPRGKRZSA-N 315.377 -0.244 30 20 DBED C=CCCN1CC(N2C[C@H](NC(=O)c3nonc3C)CC2=O)C1 1094820036 CRIUMHQYYUOCRI-LLVKDONJSA-N 319.365 -0.031 30 20 DBED CN1C[C@@H](C(=O)NCCCN=c2cc[nH]cc2C#N)CC1=O 1094847578 VYIQSLZRQPRKNG-NSHDSACASA-N 301.350 -0.228 30 20 DBED C#CCO[C@H](C)C(=O)NCCCN(C)c1nccn2nnnc12 1095639173 UJMSITIVDCJZSA-LLVKDONJSA-N 317.353 -0.500 30 20 DBED C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)Nc1nccn2nnnc12 1097778553 UYBYQBGVVVRRLU-QMMMGPOBSA-N 311.309 -0.051 30 20 DBED C[C@H](CNC(=O)C(=O)NCC1CC1)Nc1cncc(C#N)n1 1098012266 DBHRKQWDEYGUHO-SECBINFHSA-N 302.338 -0.209 30 20 DBED Cn1cc(C(=O)N2CC[C@H](n3cc(CNCC#N)nn3)C2)cn1 1098607883 ICSXYYOBWSXJLI-ZDUSSCGKSA-N 314.353 -0.288 30 20 DBED N#CCNCc1cn([C@@H]2CCN(C(=O)C3=COCCO3)C2)nn1 1098608494 YLMCUFNASVZRJP-GFCCVEGCSA-N 318.337 -0.447 30 20 DBED C#CCNCc1cn([C@H]2CCN(C(=O)[C@H]3CCCN3C)C2)nn1 1098645641 RZRFSSOJBRCJLZ-LSDHHAIUSA-N 316.409 -0.132 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)Cc2cncn2C)[C@H](O)C1 1100073496 CXGZCPVKMJOMCS-HUUCEWRRSA-N 322.409 -0.283 30 20 DBED C#CCN1CC[C@H](NC(=O)CCCC(=O)NCCC)[C@@H](O)C1 1100078928 QMNWIZRLBHROKJ-KBPBESRZSA-N 309.410 -0.133 30 20 DBED CN(CCNC(=O)[C@H]1CCCCC(=O)N1)c1nccnc1C#N 1100319893 GJURDGJUQTWXKC-LLVKDONJSA-N 316.365 -0.041 30 20 DBED CCN(CCNC(=O)C[C@@H]1CCC(=O)N1)c1ccnc(C#N)n1 1100568439 HBJRUJDZDWDZRS-NSHDSACASA-N 316.365 -0.041 30 20 DBED CN1CC[C@@H](CC(=O)N(C)CCN=c2cc[nH]c(C#N)n2)C1 1101693969 IHUIFRWPMWYGHF-LBPRGKRZSA-N 302.382 -0.018 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1CNC(=O)[C@H]1CCN(C)C1 1102578238 RJZUPUPXGGDZQT-HZSPNIEDSA-N 321.425 -0.738 30 20 DBED CNC(=O)CC(=O)N[C@H]1CC[C@H](N=c2cc[nH]c(C#N)n2)CC1 1103636943 LRJPNZWHXIKLCG-XYPYZODXSA-N 316.365 -0.254 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H](C)CN=c1cc[nH]cc1C#N 1103955831 BHYFQNSHQHKIMU-GFCCVEGCSA-N 313.361 -0.321 30 20 DBED CC(=O)N[C@@H](C)C(=O)N(C)[C@H](C)CN=c1cc[nH]c(C#N)n1 1104478078 VQNWRXGDCUSJJT-ZJUUUORDSA-N 304.354 -0.446 30 20 DBED C#CCNCC[C@@H]1CN(C(=O)CN2C(=O)CCC2=O)C[C@H]1C 1104991507 KVXPIAKHFDMXSW-CHWSQXEVSA-N 305.378 -0.157 30 20 DBED CC(C)[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)N=c1cc[nH]cc1C#N 1105277824 MLILVCROYZQZRB-OLZOCXBDSA-N 316.365 -0.391 30 20 DBED CN(CCN(C)c1nccnc1C#N)C(=O)CN1CCCC1=O 1105344648 PRCVVCJVVCTAAQ-UHFFFAOYSA-N 316.365 -0.135 30 20 DBED N#CCNCc1cn(C2CN(C(=O)[C@H]3C[C@]34CCOC4)C2)nn1 1105357620 HHAXRQSWXDMYSQ-HIFRSBDPSA-N 316.365 -0.299 30 20 DBED Cc1cc(C(=O)NC[C@@H](O)CNc2cncc(C#N)n2)ncn1 1105788093 FKUHAAZIRHWOPP-NSHDSACASA-N 313.321 -0.351 30 20 DBED Cn1ccc(CC(=O)NC[C@@H](O)CNc2cncc(C#N)n2)n1 1105818943 RJQNSIXIHMREGU-LBPRGKRZSA-N 315.337 -0.787 30 20 DBED C#CCOCCC(=O)NC[C@H](O)CN=c1cc[nH]cc1C#N 1105966138 KZQLJMLMEHYOTE-CYBMUJFWSA-N 302.334 -0.696 30 20 DBED Cc1nc(NC[C@H](O)CNC(=O)[C@H](C)CC(N)=O)ccc1C#N 1106060510 WNALCQOWZQWUQI-SKDRFNHKSA-N 319.365 -0.338 30 20 DBED C[C@H](CNc1ccc(C#N)nc1)NC(=O)C1CS(=O)(=O)C1 1107951622 AYKCYKHBFBICFA-SECBINFHSA-N 308.363 -0.086 30 20 DBED CCn1nnc(C)c1C(=O)NC[C@@]1(C)CN(CC#N)CCO1 1107994253 NQELQSFQYAQLKD-AWEZNQCLSA-N 306.370 -0.049 30 20 DBED C[C@@]1(CNC(=O)c2cn3c(n2)COCC3)CN(CC#N)CCO1 1108027381 UFKDLYAQWVGVSI-OAHLLOKOSA-N 319.365 -0.242 30 20 DBED C=CCN1CCO[C@](C)(CNC(=O)CN2CCC(=O)NC2=O)C1 1108329825 WJUUJXGWVSXFJP-OAHLLOKOSA-N 324.381 -0.679 30 20 DBED Cc1cc(=NC[C@H](C)NC(=O)[C@H]2CNC(=O)N2)c(C#N)c[nH]1 1108668443 BDVWMYMUCRNZQL-JOYOIKCWSA-N 302.338 -0.718 30 20 DBED C#CCN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)COCc1nncn1C)C2 1108789659 NUHOOLQNVGFUTD-MJBXVCDLSA-N 317.393 -0.066 30 20 DBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CC(=O)NCC 1109175634 UKBMATJNEHPYRJ-AGIUHOORSA-N 322.409 -0.464 30 20 DBED Cc1nc(CC(=O)N(C)CCCN=c2cc[nH]c(C#N)n2)n[nH]1 1109434987 XSQYQFKYCYGWPS-UHFFFAOYSA-N 314.353 -0.300 30 20 DBED Cc1cc(C#N)nc(NC[C@H](NC(=O)CNC(N)=O)C2CC2)n1 1109753552 CDVNQMVFLMHZNZ-NSHDSACASA-N 317.353 -0.368 30 20 DBED CC(=O)NCC(=O)N[C@@H](CN=c1cc[nH]c(C#N)n1)C1CC1 1109780985 IMVXDYGVERQLEW-NSHDSACASA-N 302.338 -0.787 30 20 DBED CS(=O)(=O)CC(=O)NCC1(Nc2ccc(C#N)nn2)CC1 1110073642 GVQWHMNSYSIJTP-UHFFFAOYSA-N 309.351 -0.546 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C(C)(C)C(N)=O 1110694887 QUUZDFFQMUMVDP-UPJWGTAASA-N 307.394 -0.131 30 20 DBED N#Cc1cncc(N2CC[C@](O)(CNC(=O)c3cnco3)C2)n1 1111121644 LBGKPGMMUHRMJI-AWEZNQCLSA-N 314.305 -0.293 30 20 DBED C[C@H]1CN(C(=O)CNC(N)=O)C[C@@H]1CNc1cncc(C#N)n1 1111241171 PQVREINGANCFQY-UWVGGRQHSA-N 317.353 -0.477 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1112701293 FZPLGHCBCZHWAI-NEPJUHHUSA-N 317.349 -0.536 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 1112769269 BBTNAHPTLLKAAU-UHFFFAOYSA-N 300.322 -0.716 30 20 DBED C#CCOCCC(=O)N1CCN([C@@H](C)C(=O)NCC=C)CC1 1112845030 QYHDDSAARHMTIZ-AWEZNQCLSA-N 307.394 -0.139 30 20 DBED C=C(Cl)CN1CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)CC1 1113404864 KPGNSMMKEPWNDB-NSHDSACASA-N 316.789 -0.737 30 20 DBED C#CCCCC(=O)N[C@H]1[C@@H]2CN([C@@H](C)C(=O)NC(N)=O)C[C@@H]21 1114200557 AWUNYLSMAAIYAP-MEWQQHAOSA-N 306.366 -0.580 30 20 DBED CCCC[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)CC(=O)NC 1114240829 DYRLGIWQNILXEQ-LLVKDONJSA-N 318.381 -0.007 30 20 DBED C=CCOCCN1C[C@H]2[C@H](NC(=O)Cc3n[nH]c(C)n3)[C@H]2C1 1114245872 NUIPIAPSQDKIMY-JYAVWHMHSA-N 305.382 -0.095 30 20 DBED CC(=O)NCC(=O)N1C[C@H]2CC[C@H]1CN2c1ccc(C#N)nn1 1114379093 DBVNAUBBSDRPED-OLZOCXBDSA-N 314.349 -0.336 30 20 DBED CC[C@@]1(C(=O)N[C@H]2[C@@H]3CN(CC#CCOC)C[C@@H]32)CCNC1=O 1114422606 FLKPTYJJLCGJFE-XJIUQZFPSA-N 319.405 -0.401 30 20 DBED N#CCNC(=O)CN1C[C@H]2C(NC(=O)c3ccsn3)[C@@H]2C1 1114447648 SIMHFNMIIZQYMC-RKDXNWHRSA-N 305.363 -0.557 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)C[C@H]3CCOC3)[C@H]2C1 1114779956 CNHRWAYZAYMXGB-AGIUHOORSA-N 305.378 -0.791 30 20 DBED C[C@@H](CCCN=c1cc[nH]c(C#N)n1)NC(=O)[C@H]1COCCO1 1114865755 CDTDHPDOTHDKGD-NWDGAFQWSA-N 319.365 -0.118 30 20 DBED C=CCOCCN1C[C@H]2[C@H](NC(=O)COCCN(C)C)[C@H]2C1 1115126157 JDMOAYFFLODZBF-FOLVSLTJSA-N 311.426 -0.186 30 20 DBED N#C[C@H]1CC[C@@H](NC(=O)C(=O)N2CC(N3CCCC3=O)C2)C1 1119796581 GTWZHCLMBWVNBY-WDEREUQCSA-N 304.350 -0.372 30 20 DBED C=CCS(=O)(=O)CCn1nnnc1N(CC)CCOC 1120106326 KYKFDQWCTTZOJA-UHFFFAOYSA-N 303.388 -0.253 30 20 DBED N#Cc1nc(=N[C@@H](CO)CNC(=O)[C@@H]2CCCOC2)cc[nH]1 1121198023 NPTSLBJODPXQOZ-GHMZBOCLSA-N 305.338 -0.914 30 20 DBED N#Cc1c[nH]ccc1=N[C@H](CO)CNC(=O)C[C@@H]1COC(=O)C1 1121303295 NFDGMWZQSPSTSQ-JQWIXIFHSA-N 318.333 -0.783 30 20 DBED N#Cc1cnc(N[C@@H](CO)CNC(=O)Cn2cncn2)c(F)c1 1121536013 KJPFFCQSVOXALG-SNVBAGLBSA-N 319.300 -0.727 30 20 DBED C[C@@]1(C(=O)NC[C@H](CO)Nc2nccnc2C#N)CCOC1 1121914992 VWRHALVZIXTCKW-QMTHXVAHSA-N 305.338 -0.336 30 20 DBED CCC(=O)N[C@@H](C)C(=O)NC[C@H](CO)Nc1nccnc1C#N 1122752261 KSTWBZNKOOGRDO-VHSXEESVSA-N 320.353 -0.848 30 20 DBED CNC(=O)CC(=O)N(C)C[C@H](O)CNc1ccc(C#N)c(C)n1 1124255985 CCVALPJJCBVMAT-GFCCVEGCSA-N 319.365 -0.371 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)c1cnn(CC)c1 1125010641 IBXTZAWHXOMTTD-UHFFFAOYSA-N 320.397 -0.015 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)c1cc(C#N)c[nH]1 1125391068 QEWBYGAQOSQUFZ-UHFFFAOYSA-N 316.365 -0.032 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)c1cnnn1CC 1126727998 UHQMVEDYVWCKPL-UHFFFAOYSA-N 320.397 -0.182 30 20 DBED C#CCCN1CCn2ncc(CNC(=O)CC(=O)NC)c2C1 1128321624 NFSFVHDEACKKNV-UHFFFAOYSA-N 303.366 -0.526 30 20 DBED CC#CCN1CCn2ncc(CNC(=O)Cn3cncn3)c2C1 1128576118 SJLUYMRYYKYPFH-UHFFFAOYSA-N 313.365 -0.370 30 20 DBED COCCN1C[C@H](n2ccnn2)[C@H](NC(=O)CSCC#N)C1 1128723806 FYRYTZKUHBNZFP-NEPJUHHUSA-N 324.410 -0.477 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H](C)OCCOC)C1 1129300914 JEJFGWQSTHXSOU-MCIONIFRSA-N 323.397 -0.143 30 20 DBED C[C@@H]1CCN(C(=O)c2nccnc2C(N)=O)C[C@H]1CNCC#N 1133298848 UDXDTIHOGCJXKD-GHMZBOCLSA-N 316.365 -0.213 30 20 DBED Cc1nnsc1C(=O)N[C@@H](C)C[C@@H](C)NCC(=O)NCC#N 1133696777 ISBFJEMBZSFWJS-BDAKNGLRSA-N 324.410 -0.027 30 20 DBED COCC#CCN[C@@H](C)C[C@H](C)NC(=O)CCS(C)(=O)=O 1134748823 NNKCUDHFKJPBKZ-STQMWFEESA-N 318.439 -0.056 30 20 DBED COc1nc(C(=O)N[C@@H](C)C[C@@H](C)NCC(=O)NCC#N)co1 1135093530 WQKWMRIVUDLQMC-ZJUUUORDSA-N 323.353 -0.191 30 20 DBED O=C1CC(C(=O)NCCNCC#Cc2ccccc2)CC(=O)N1 1135270238 VNTPNCSFIPFIFC-UHFFFAOYSA-N 313.357 -0.203 30 20 DBED N#Cc1ccc(CNCCNC(=O)CCn2cnnn2)c(F)c1 1135677637 RWNSWRYGIHVHFS-UHFFFAOYSA-N 317.328 -0.020 30 20 DBED Cc1nc(C)n(CCCC(=O)NCCNCC(=O)NCC#N)n1 1147278233 WSXGZGAHYLANRG-UHFFFAOYSA-N 321.385 -0.979 30 20 DBED CCCc1nc(C)c(C(=O)NCCNCC(=O)NCC#N)o1 1147940437 VMRGALJLEZAAKQ-UHFFFAOYSA-N 307.354 -0.105 30 20 DBED C#CCNC(=O)CN1CCCO[C@H](CNC(=O)[C@@H](C)CC)C1 1149205519 BOKMWCPQEHTWLV-UONOGXRCSA-N 309.410 -0.011 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCCNC[C@@H]1CCS(=O)(=O)C1 1157194707 INRSRLIAPHHFMJ-GXTWGEPZSA-N 318.439 -0.156 30 20 DBED C#CCO[C@H](C)C(=O)NCCCNCc1nc(COC)no1 1157870165 XXSJOPKYJZXBQM-LLVKDONJSA-N 310.354 -0.150 30 20 DBED C=C(C)CNCCCNC(=O)CN(C)S(=O)(=O)N(C)C 1157912642 ULUACPUETFOUPY-UHFFFAOYSA-N 306.432 -0.603 30 20 DBED N#CCNC(=O)CNCCCNC(=O)CCc1ncccn1 1168856037 MIBZRZYFCRFNHR-UHFFFAOYSA-N 304.354 -0.855 30 20 DBED COCC#CCN1CCO[C@H]2CCN(C(=O)c3cn[nH]c3)C[C@@H]21 1176924250 MTGOBYUQMTYJBG-GJZGRUSLSA-N 318.377 -0.025 30 20 DBED CC#CCN1CCO[C@@H]2CCN(C(=O)CN(C)C(C)=O)C[C@@H]21 1176929628 JPCAIRCLZQIIID-LSDHHAIUSA-N 307.394 -0.210 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)Cc2cccnc2)C1 1192223171 SGLRMDOJEFHYEK-ZIAGYGMSSA-N 318.377 -0.912 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(CC(CC)CC)C[C@H]1O 1192397137 UUPAIDPLCJXVAF-ZIAGYGMSSA-N 309.410 -0.277 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)C#CC(C)(C)C)C1 1192814009 UUZSKNJAPZIXDO-BFHYXJOUSA-N 319.405 -0.665 30 20 DBED C#CCCN(C)[C@@H]1CCN(C(=O)CS(=O)(=O)N(C)C)C1 1193785879 BKPGQKQYADFALV-GFCCVEGCSA-N 301.412 -0.566 30 20 DBED C#CCCCCCC(=O)N[C@@H]1CN(Cc2nnnn2C)C[C@H]1O 1195333844 PSRRHDQPWNVGIR-CHWSQXEVSA-N 320.397 -0.545 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2conc2C)C1 1195807235 GBZGLHODQVJILY-VXGBXAGGSA-N 308.338 -0.940 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)c2cnc(O)n2C)CC1 1196724684 NWDGMFPMGLJPGR-UHFFFAOYSA-N 321.381 -0.424 30 20 DBED C=CCCCN1C[C@@H](O)[C@H](NC(=O)CCN2CCOCC2)C1 1196953565 FVUPHKGCKHFFFP-HUUCEWRRSA-N 311.426 -0.164 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCCN(C(=O)CC(=O)N(C)C)C1 1210027352 AUUREOMMXZVINZ-OLZOCXBDSA-N 322.409 -0.817 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)C2(C)CC(=C)C2)[C@H](OC)C1 1213409752 PIXKMYVEGYGRON-ZIAGYGMSSA-N 319.405 -0.093 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](NCC(=O)NC(=O)NC2CC2)[C@H](C)C1 1214338679 XGOFNEBTZGDKNR-HOSYDEDBSA-N 321.381 -0.429 30 20 DBED CC(C)NC(=O)CN1C[C@H](O)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 1219485673 QBVWGIYSZJAAIN-OLZOCXBDSA-N 319.365 -0.814 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)C(C)=C2CCC2)C1 1219579277 WXJYPDFQIUATME-YUELXQCFSA-N 319.405 -0.214 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)c2cn(CCC)nn2)C1 1220637957 PNDGMPLOPBESDZ-OCCSQVGLSA-N 323.397 -0.334 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)CCCn2nc(C)nc2C)C1 1220730510 AFGDNMIWXZNMNN-CABCVRRESA-N 319.409 -0.140 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)[C@H](C)c2cnn(C)c2)C1 1221202631 KJTITMBOUSFRGZ-YUELXQCFSA-N 322.409 -0.113 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1COCCO1 1224890660 AZGIJAVFHANBTC-MGPQQGTHSA-N 323.393 -0.832 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)[C@H]2CCN(C)C2=O)CC1 1228717334 FNKJDXHLYZCOFS-CYBMUJFWSA-N 322.409 -0.653 30 20 DBED C#CCN[C@@H]1CCCC[C@H]1NC(=O)CC[C@H]1NC(=O)NC1=O 1230098883 PZKQJPDEHRJJGG-IJLUTSLNSA-N 306.366 -0.375 30 20 DBED C#CCOCCC(=O)N(C)C[C@@H]1CCN1CCN1CCNC1=O 1234247040 VLQZPPOZCKDXBY-AWEZNQCLSA-N 322.409 -0.416 30 20 DBED C=CCOCC(=O)NCCCN(C)[C@@H](C)C(=O)NC(=O)NC 1235683412 JDGZWZGSBQNLKC-NSHDSACASA-N 314.386 -0.529 30 20 DBED C#CCSCCNC(=O)C(=O)N[C@@H](C)[C@@H]1CN(C)CCO1 1261092972 VRUBOPUVSALKFF-RYUDHWBXSA-N 313.423 -0.696 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)C1 1261471210 MFCUBJLDKJSOBD-ZWUHOBOKSA-N 321.377 -0.063 30 20 DBED C#CCNC(=O)CNC[C@H]1CCCN1C(=O)[C@H]1CCCN1C 1267953084 FDODZKMLTLWZGK-ZIAGYGMSSA-N 306.410 -0.589 30 20 DBED COCC#CCN[C@@H](C)CCNC(=O)c1ccc(C(N)=O)[nH]1 1317405514 IWHSRNFEXYINMT-NSHDSACASA-N 306.366 -0.139 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)Nc1ccn(CC(=O)N(C)C)n1 1320306124 MNPBOTVSUBBROG-JTQLQIEISA-N 323.353 -0.773 30 20 DBED C#CCSCCNC(=O)C(=O)N1CCN(C(C)=O)C[C@@H]1C 1329182506 JYPOLFMLGUBBDM-NSHDSACASA-N 311.407 -0.452 30 20 DBED CC[C@H]1COCCN1C(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1330320537 YLAUNLQLXAYFEG-JSGCOSHPSA-N 320.393 -0.177 30 20 DBED CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1332355560 HGWUPNSZKOEHOV-WFASDCNBSA-N 309.366 -0.109 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)NCc1nnc(C)n1C 1334029962 AHMRLUSZZHHECQ-UHFFFAOYSA-N 307.354 -0.762 30 20 DBED C=C(C)COCCn1nnnc1N1CCO[C@@H](C(=O)OC)C1 1334276300 HGLKPAIDHLRFBH-LLVKDONJSA-N 311.342 -0.356 30 20 DBED CC(=O)N1CCCN(C(=O)C(=O)N2CCC[C@H](C#N)C2)CC1 1336421408 JRIHIIDQRLWTHY-CYBMUJFWSA-N 306.366 -0.171 30 20 DBED C=CCn1nnnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1340209822 ZVYKRINESPMTKA-UHFFFAOYSA-N 307.358 -0.968 30 20 DBED COCCN(C)CCCNC(=O)C(=O)Nc1cnn(CC#N)c1 1340837824 NIVYZHWYMIQLCR-UHFFFAOYSA-N 322.369 -0.570 30 20 DBED C#CCC[C@H](O)CNC(=O)C(=O)Nc1cnn(CCOC)c1 1344552655 NHGIDOUFDHKHBE-LBPRGKRZSA-N 308.338 -0.642 30 20 DBED C=C(Br)CNC(=O)C(=O)NCc1cn(CC)nn1 1350897859 UBUZXHPXOOBDKI-UHFFFAOYSA-N 316.159 -0.061 30 20 DBED CCN(CCC#N)C(=O)CN[C@H]1C[C@H](C)N(C(=O)COC)C1 1369402087 IRYHZFUSKUYHDU-STQMWFEESA-N 310.398 -0.026 30 20 DBED CCS(=O)(=O)CC(=O)N1CCC[C@@H]1CNC(=O)[C@H](C)C#N 1387392219 QBFDFDVSTJAPBS-GHMZBOCLSA-N 315.395 -0.312 30 20 DBED CCN1CCO[C@H](C(=O)N(CCNC(=O)[C@H](C)C#N)C2CC2)C1 1388679526 YJFVPAXODKVKJJ-OCCSQVGLSA-N 322.409 -0.026 30 20 DBED CS[C@@H](C)C(=O)NC[C@H](O)CNC(=O)c1c[nH]c(C#N)c1 1389067946 PMBPXJJHBSAOSI-KWQFWETISA-N 310.379 -0.155 30 20 DBED COCCN(CCNC(=O)[C@H](C)C#N)[C@@H]1CCCN(C)C1=O 1394830274 RPYPFMUXQJOXAV-CHWSQXEVSA-N 310.398 -0.169 30 20 DBED CC[C@H](NC[C@H](O)CN(C)C(=O)c1cc(C#N)c[nH]1)C(N)=O 1410990900 RUZSIVMGRLQYEM-QWRGUYRKSA-N 307.354 -0.827 30 20 DBED CN(C)C(=O)[C@H]1CCCN(c2[nH]c(=O)n(C)c(=O)c2C#N)C1 1412923645 SLDLRKBHYSWHMU-VIFPVBQESA-N 305.338 -0.750 30 20 DBED COC(=O)N1CCC(CNc2[nH]c(=O)n(C)c(=O)c2C#N)CC1 1413897583 XXYRRHVAGMWZPC-UHFFFAOYSA-N 321.337 -0.164 30 20 DBED C[C@H](O)CCCN1CC(O)(CNC(=O)c2cc(C#N)c[nH]2)C1 1421427741 QGPPJNQYLARJIR-NSHDSACASA-N 306.366 -0.176 30 20 DBED CC(C)NC(=O)CNC[C@H](O)CN(C)C(=O)c1cc(C#N)c[nH]1 1425988868 SMEWQTGRRBCJTE-LBPRGKRZSA-N 321.381 -0.567 30 20 DBED CC(C)C[C@H](CCO)CNC(=O)Cn1cc(C#N)c(O)nc1=O 1445647806 AXMDHNZZWWUEDA-NSHDSACASA-N 322.365 -0.019 30 20 DBED COCC(=O)NCCC(=O)N1CC[C@H](NC(=O)[C@H](C)C#N)C1 1447022750 FXKKPADUSLALGU-MNOVXSKESA-N 310.354 -0.984 30 20 DBED CCN(CCNC(=O)[C@@H](C)C#N)C(=O)c1cc(=O)n(C)cn1 1449507116 HZBIFNPFUUMJGM-JTQLQIEISA-N 305.338 -0.482 30 20 DBED COC(=O)NCC(=O)NC[C@@H](C)NC(=O)c1cc(C#N)c[nH]1 1458093939 XZPJRIPERLFFQL-MRVPVSSYSA-N 307.310 -0.523 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@](C)(NC(=O)CCS(C)(=O)=O)C1 1459408376 QVDOJTVVORVZCP-GWCFXTLKSA-N 315.395 -0.312 30 20 DBED CCN(CCC#N)S(=O)(=O)N[C@@H](CO)C[C@H]1CCCO1 1464549614 ZJDILXFEXXCJBY-VXGBXAGGSA-N 305.400 -0.014 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(Cc2nnc(C3CC3)o2)C1 1484264063 IQOUKXLWZDUXSF-SECBINFHSA-N 305.338 -0.230 30 20 DBED CN1CCN(C(=O)Nc2nn(C)cc2C#N)C[C@H](C(=O)O)C1 1571091245 BYQPYYYUGPKRRA-SNVBAGLBSA-N 306.326 -0.228 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@]1(CO)CCCN(Cc2cnn[nH]2)C1 1575072430 IDUORFQFZHKVOG-CABCVRRESA-N 323.397 -0.425 30 20 DBED CCN(CCNC(=O)CCOCc1cnn[nH]1)C(=O)[C@@H](C)C#N 1576532852 HUBFULCPDUXSEN-NSHDSACASA-N 322.369 -0.164 30 20 DBED CNC[C@@H](O)[C@H](C)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 1578640355 GXIJBYKZJWGJGB-GXTWGEPZSA-N 317.393 -0.182 30 20 DBED C#CC1(O)CN(C[C@@H](O)COc2ccc(C(=O)O)cc2OC)C1 1588382312 MJQSJKSVBVIRJC-GFCCVEGCSA-N 321.329 -0.187 30 20 DBED C[C@@]1(C#N)CN(S(=O)(=O)N2CCC(C(=O)O)CC2)CCO1 1589181301 FGFVUCWJWMGZGQ-GFCCVEGCSA-N 317.367 -0.358 30 20 DBED N#CCC(=O)N1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 1592671217 AVRNFBSYYLSFMC-UHFFFAOYSA-N 314.309 -0.607 30 20 DBED N#Cc1ncc(N2C[C@@H]3C[C@H]2C[S@@]3=O)nc1-c1nn[nH]n1 1592708297 HGRNHBOPPRXUJH-JBBQLFNJSA-N 302.323 -0.762 30 20 DBED CN1C[C@H](C(=O)O)N(C(=O)CNc2ccc(C#N)cc2)CC1=O 1598562156 IQXXSYRCJWUQCO-GFCCVEGCSA-N 316.317 -0.276 30 20 DBED COC(=O)[C@H]1CCN(C(=O)Cn2cnc(C#N)n2)[C@H](C(=O)O)C1 1598794946 STRFPJKPSQCXHS-IUCAKERBSA-N 321.293 -0.985 30 20 DBED O=C(NCCn1cc(C(=O)O)nn1)c1cccc(C#CCO)c1 1601517001 VQYGZIFPPXIRAS-UHFFFAOYSA-N 314.301 -0.250 30 20 DBED C#C[C@@H](CO)NS(=O)(=O)c1cc(-c2nn[nH]n2)ccc1C 1602689547 SJGQZNVCUIXLNO-JTQLQIEISA-N 307.335 -0.552 30 20 DBED C#CCOc1ccccc1NC(=O)C(=O)NC[C@H](O)CC(=O)O 1602734654 VCIQWGXUTCBRIQ-SNVBAGLBSA-N 320.301 -0.411 30 20 DBED CCc1nn(C)cc1S(=O)(=O)N(CC#N)CCC(=O)O 1605866733 NZHWMLFYFGUFBB-UHFFFAOYSA-N 300.340 -0.029 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)NC[C@@H]1CCN(C)C(=O)C1 1646022775 KQJOMTHBDRXAMU-WDEREUQCSA-N 302.400 -0.077 30 20 DBED COCCN(C(=O)NC[C@H](C)C#N)[C@@H]1CCS(=O)(=O)C1 1649746663 VNOOKISCCRZKHV-GHMZBOCLSA-N 303.384 -0.009 30 20 DBED CC(C)C#CC(=O)NC1(CCO)CN(C(=O)[C@H]2CCCN2C)C1 1678389054 BQGAKQPMRMLZAL-CQSZACIVSA-N 321.421 -0.180 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C1CCN(Cc2nnnn2C)CC1 1752300189 VPCCFMWQBBPJGP-LBPRGKRZSA-N 320.397 -0.329 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)[C@H](CCC)OC)[C@H]2C1 1752845007 CUTNYLBOZHGGCV-MRLBHPIUSA-N 321.421 -0.014 30 20 DBED CCc1cc(C(=O)N2CC[C@@H](CNCC(=O)NCC#N)C2)no1 1752958982 ODYXWXNJIUYIKB-NSHDSACASA-N 319.365 -0.072 30 20 DBED C#CCNC(=O)CN1CC[C@H](N(C)C(=O)[C@@H](C)NC(=O)CC)C1 1753436151 GARKVFGLIZYQBR-OLZOCXBDSA-N 322.409 -0.817 30 20 DBED CC#CCN1CC[C@@H](N(CC)C(=O)CN2CCNC(=O)C2)C1 1753460649 DHADWEUKFCJNDI-CQSZACIVSA-N 306.410 -0.636 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H](O)CNCc1nc(C)no1 1753930487 INFMHTKKPLNGKN-DYEKYZERSA-N 324.381 -0.074 30 20 DBED C[C@@H](CCNCC#N)NC(=O)c1ccc(-n2cnnn2)cn1 1753986549 OORMVCYUWOSNRH-JTQLQIEISA-N 300.326 -0.321 30 20 DBED C[C@@]1(CNCC(=O)NCC#N)CCN(C(=O)[C@@H]2CCCO2)C1 1754686601 GOEYDHKQGCELPT-WFASDCNBSA-N 308.382 -0.367 30 20 DBED CC#CCN[C@@H](C)[C@H]1CCN(C(=O)CN2CCC(=O)NC2=O)C1 1754803401 BIBIYGUHDCCUFL-STQMWFEESA-N 320.393 -0.222 30 20 DBED C=CCCNCCN(CCO)C(=O)[C@H]1CCCS1(=O)=O 1754897661 BQMDUDDCLOQPDP-GFCCVEGCSA-N 304.412 -0.450 30 20 DBED C=CCN[C@]1(CO)CCCN(C(=O)[C@H]2COCCN2CC)C1 1755085667 LKGNVSVKWJSGQI-GDBMZVCRSA-N 311.426 -0.164 30 20 DBED C#CCNC(=O)CN(C)[C@H](C)CNC(=O)c1c[nH]c(C#N)c1 1755295821 DJVHAOSWKCNENF-LLVKDONJSA-N 301.350 -0.314 30 20 DBED CC#CCNC[C@H]1C[C@H](NC(=O)[C@H](C)NS(C)(=O)=O)C1 1755479489 PFCKXVVVYPQCFX-SRVKXCTJSA-N 301.412 -0.568 30 20 DBED CC#CCNCCC[C@H](C)NC(=O)[C@@H]1CCS(=O)(=O)N1 1755533809 NJWIWUUXDKOQNX-RYUDHWBXSA-N 301.412 -0.424 30 20 DBED C#Cc1ccc(C(=O)N(C)C[C@H](C)NCc2nnnn2C)cn1 1755614662 OMXPVLUYEVKPTK-NSHDSACASA-N 313.365 -0.163 30 20 DBED CC(C)(C(N)=O)C(=O)NC[C@H](CO)NCc1ccc(C#N)s1 1755632209 QLKSSJOFCVLIRQ-SECBINFHSA-N 324.406 -0.302 30 20 DBED C#CCNC(=O)CNC[C@H](O)CN(C)C(=O)c1cccs1 1755771708 QVHWFWZSDJAQSJ-NSHDSACASA-N 309.391 -0.480 30 20 DBED CC[C@H](F)C(=O)N(C)C[C@@H](O)CN(C)CC(=O)NCC#N 1755805407 WLAUWCZJSSGZIU-QWRGUYRKSA-N 302.350 -0.875 30 20 DBED C=C[C@](C)(CC)C(=O)N[C@H](CO)CNC(=O)c1cnc(O)n1C 1756539329 BGZIGQYUXAFAAX-ZUZCIYMTSA-N 324.381 -0.065 30 20 DBED C=CCC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)C2(C(N)=O)CC2)C1 1757030321 LWXVTRZPTLTBRH-GHMZBOCLSA-N 323.393 -0.458 30 20 DBED C=CCOCC(=O)N1CC[C@@H]2CN(C(=O)[C@H](C)NC(C)=O)[C@@H]2C1 1757217481 UHIXTQVYEYMERN-IACUBPJLSA-N 323.393 -0.227 30 20 DBED N#Cc1ccsc1NC(=O)CN1CCN(CC(N)=O)CC1 1771629240 HOCVDSHITRLIDN-UHFFFAOYSA-N 307.379 -0.339 30 20 DBED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(=O)CC)C2 1802023880 ZJJFOFPQKTWVQO-JJLQDPRZSA-N 306.362 -0.032 30 20 DBED C#CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)CNC(C)=O)CC2 1825024012 BSEHTBUXBKTKFN-SECBINFHSA-N 320.374 -0.176 30 20 DBED C#CCNS(=O)(=O)c1ccc(C(=O)NCCC(=O)OC)cc1 23193245 YGIWSENGRCJXOT-UHFFFAOYSA-N 324.358 -0.109 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O 42302066 ANVTYRQDIHXFDR-SECBINFHSA-N 314.367 -0.746 30 20 DBED O=C(CNC1=NS(=O)(=O)c2ccccc21)/N=C1/NCCS1 44817085 RUFMYGUIOVHWQV-UHFFFAOYSA-N 324.387 -0.056 30 20 DBED CCNC(=O)CN1CCN(CC(=O)N(CC)CCC#N)CC1 52534145 ZWPBCHVQTJMIMI-UHFFFAOYSA-N 309.414 -0.498 30 20 DBED C=CCN(CC(=O)O)S(=O)(=O)c1cc(C(N)=O)n(C)c1 92463977 PMGRWHUMIZYNHX-UHFFFAOYSA-N 301.324 -0.615 30 20 DBED CCN(C[C@@H](C)C#N)C(=O)CN1CC[C@H](S(=O)(=O)NC)C1 155663794 GVSPGGMDXNDQOF-RYUDHWBXSA-N 316.427 -0.382 30 20 DBED C=CCNC(=O)CNC(=O)NCCn1c(=O)[nH]c2ccccc21 181229710 HWUHITQLYKGJOO-UHFFFAOYSA-N 317.349 -0.069 30 20 DBED COCCN(CC(=O)NCc1ccc(C#N)cc1)[C@@H](C)C(N)=O 264375986 KJBUNGYBGRTAGI-LBPRGKRZSA-N 318.377 -0.003 30 20 DBED C=CCN(CCC(=O)NC(=O)NC)[C@H]1CCS(=O)(=O)C1 264515451 BKXOBWATXXSOFZ-JTQLQIEISA-N 303.384 -0.493 30 20 DBED N#Cc1ccc(OCC(=O)NCCN2C(=O)CNC2=O)cc1 264975499 OMCXXRCSIQJNIS-UHFFFAOYSA-N 302.290 -0.395 30 20 DBED N#Cc1ccc(S(=O)(=O)NCCCN2CCNC(=O)C2)cc1 271172454 SZZOOABXXUKMDJ-UHFFFAOYSA-N 322.390 -0.342 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@@H](COC)C2CC2)C1=O 288144932 MBKRCCKFGLONHN-QWHCGFSZSA-N 323.393 -0.227 30 20 DBED CO[C@@H]1C[C@@H](c2nc[nH]n2)N(/C(O)=N/C[C@@H]2COCCO2)C1 329011005 DODNLVZERIKQNF-MXWKQRLJSA-N 311.342 -0.104 30 20 DBED CCOC1CC(O)(C/N=C(/O)N[C@@H]2CS(=O)(=O)C[C@@H]2C)C1 329723256 FLEKEEIGNSBDFM-MSLYCWSTSA-N 320.411 -0.147 30 20 DBED CC(C)(C)n1cnc(N/C(O)=N/CCN2C(=O)CCC2=O)n1 329752921 JTPIILGHGUNIIU-UHFFFAOYSA-N 308.342 0.508 30 20 DBED CN1CCN(C)[C@H](C/N=C(/O)NC[C@]2(O)CCSC2)C1 330019503 VEDUGJVSMIAQCQ-DGCLKSJQSA-N 302.444 -0.396 30 20 DBED CC1(C)CN(C(=O)Cn2cnc(C#N)n2)C[C@]2(CCOC2)O1 330075549 DJBYMTWHZSZNOF-AWEZNQCLSA-N 305.338 -0.054 30 20 DBED CN1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)C(C)(C)C1 336897265 SYBWKKBAMZJGQB-LLVKDONJSA-N 302.400 -0.518 30 20 DBED CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)N(C)C[C@H](C)C#N 336916617 NIJAEPLNAYTCOR-MNOVXSKESA-N 323.440 -0.168 30 20 DBED N#C[C@H]1CN(S(=O)(=O)N[C@@H](CCO)c2ccco2)CCO1 336947572 PKWDPZQXJYOWCT-QWRGUYRKSA-N 315.351 -0.238 30 20 DBED C[C@@H]1CN(C)CC[C@@H]1N(C)S(=O)(=O)N1CCO[C@@H](C#N)C1 337103966 YHXIOWYNZVVFET-AGIUHOORSA-N 316.427 -0.272 30 20 DBED COC(=O)C[C@]1(NS(=O)(=O)N(C)[C@H](C)CC#N)CCOC1 337753877 AOBXWNSJVZWQRJ-ZYHUDNBSSA-N 319.383 -0.223 30 20 DBED CC(=O)NC[C@@H]1CN(CC(=O)N(CCC#N)CCC#N)CCO1 344513450 ZFIUULFXQQRPKD-CQSZACIVSA-N 321.381 -0.521 30 20 DBED COC(=O)CCN1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)C1=O 346735864 SXHQHFPJFLPSOL-NSHDSACASA-N 304.306 -0.220 30 20 DBED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc2c(c1)CN(C)C2 347224049 BAAGKXOYFRWIEZ-UHFFFAOYSA-N 316.361 -0.011 30 20 DBED N#CCNC(=O)CNS(=O)(=O)N1CCc2ccccc2C1 352512580 PJVZMRMVUREQMU-UHFFFAOYSA-N 308.363 -0.481 30 20 DBED CN(CCO)C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 355015524 LDCLFTZFUCNDGG-UHFFFAOYSA-N 311.363 -0.371 30 20 DBED CCOC(=O)[C@](C)(O)CN(CCC#N)CCN1CCOCC1 361433090 ZTZAKVVQWRTHSQ-OAHLLOKOSA-N 313.398 -0.152 30 20 DBED Cn1ccc(=O)n(C[C@H](O)COc2ccccc2C#N)c1=O 402248544 OAWHIWFUEBMWLC-LBPRGKRZSA-N 301.302 -0.141 30 20 DBED C#CCN1CCN(C(=O)CN2CCC(C(=O)NC)CC2)CC1 490781039 USPOQGHPHMQOEE-UHFFFAOYSA-N 306.410 -0.778 30 20 DBED CCOC(=O)N1CCN(C(=O)[C@@H](C)N2CCO[C@@H](C#N)C2)CC1 491520397 YOGBUNJWNIFODU-OLZOCXBDSA-N 324.381 -0.100 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)/C=C/[C@H]2CCOC2)CC1 491523480 FHPSNDTYTMGUGA-XGACYXMMSA-N 305.378 -0.527 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(C[C@@H]2CCCOC2)c1=O 531875930 XTBWYTZUVIDYFT-LBPRGKRZSA-N 307.350 -0.030 30 20 DBED N#Cc1ccc(OC[C@@H](O)CN[C@]2(C(N)=O)CCOC2)cc1 578203347 PESVIYMYOATUKC-SWLSCSKDSA-N 305.334 -0.468 30 20 DBED CS(=O)(=O)N1CC[C@@H](CNC(=O)c2cccc(C#N)n2)C1 589455660 WGJDTJIVWFRTSL-JTQLQIEISA-N 308.363 -0.035 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)Nc2cccnc2C(=O)O)CCO1 595237383 CGWIEHVFZHVTNM-QMMMGPOBSA-N 304.262 -0.531 30 20 DBED N#C[C@@]1(F)CCN(C(=O)[C@@H]2CCCN(S(N)(=O)=O)C2)C1 597555088 YWNMHJJFDZJJIT-KOLCDFICSA-N 304.347 -0.634 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)NCC(C)(C)S(C)(=O)=O 619750523 GRDTVXWSUYOJHY-VIFPVBQESA-N 311.429 -0.122 30 20 DBED CC#CC[C@@H](CO)NC(=O)c1ccc(NS(C)(=O)=O)nc1 627976902 BXCAEFFCGOJZKI-NSHDSACASA-N 311.363 -0.043 30 20 DBED O=C(NCC#CCO)Nc1ccnc(OCC(F)(F)F)n1 640253864 ZVIKTHPRMAZJFS-UHFFFAOYSA-N 304.228 0.535 30 20 DBED CNC(=O)c1ccc(S(=O)(=O)N(CC#N)CC(=O)O)cc1 737547693 XKSPHXLXLZIVOX-UHFFFAOYSA-N 311.319 -0.355 30 20 DBED Cc1nc(S(=O)(=O)NCC(=O)OCCCC#N)cn1C 750620126 KZXWBIUOBZLHBH-UHFFFAOYSA-N 300.340 -0.146 30 20 DBED C=CCN(CC(=O)O)C(=O)c1ccc(S(=O)(=O)NC)o1 762067276 LVHWEZTUZLCXNA-UHFFFAOYSA-N 302.308 -0.100 30 20 DBED C[C@H](C#N)COC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 770934535 XVBHBCZLCGFALK-MRVPVSSYSA-N 305.294 -0.863 30 20 DBED C#C[C@@H](NC(=O)c1cc(S(N)(=O)=O)cn1C)[C@@H]1CCCO1 776269009 HEAFGCRJSBYHHX-PWSUYJOCSA-N 311.363 -0.417 30 20 DBED C=CCNC(=O)CNC(=O)C(=O)Nc1ccnn1CC1CC1 777289481 CYQZYNYWBIROFV-UHFFFAOYSA-N 305.338 -0.350 30 20 DBED C#CCCCNC(=O)C(=O)NC[C@@H](C(C)C)N1CCN(C)CC1 786630988 YTPVDXNLZDJIIZ-HNNXBMFYSA-N 322.453 -0.096 30 20 DBED N#Cc1cc(O)cc(C(=O)N2CCCN(CC(N)=O)CC2)c1 809611667 LABDANYKIFNYLX-UHFFFAOYSA-N 302.334 -0.103 30 20 DBED C[C@@H](CS(=O)(=O)N1CCN(C2CC2)[C@H](C#N)C1)C(=O)O 827545705 CSVTYZMZHQNENG-GXSJLCMTSA-N 301.368 -0.291 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)COCCC)CC1 831560765 HZVOSWBCYPBSDS-UHFFFAOYSA-N 303.384 -0.975 30 20 DBED C[C@H](CCN)NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 834453688 VGPQTXPFIXKYLE-SECBINFHSA-N 310.379 -0.421 30 20 DBED C=CC[C@@H](CO)CNC(=O)C(F)(F)C(=O)N1CCOCC1 836203705 CURDNIVXLXVXFS-SNVBAGLBSA-N 306.309 -0.219 30 20 DBED COCCN1[C@@H](C)CN(C(=O)Cn2cnc(C#N)n2)C[C@H]1C 844021004 QGHWVZALKHQONL-TXEJJXNPSA-N 306.370 -0.283 30 20 DBED C#CC[C@H](CO)NC(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1 854546518 HPBUHEBHUMKFGI-BXKDBHETSA-N 309.347 -0.783 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N[C@H]1CCn2ccnc2C1 875337554 UQYUFBCACBUUCM-OLZOCXBDSA-N 318.377 -0.141 30 20 DBED CN1C(=O)[C@@H]2CN(Cc3cnc4c(C#N)cnn4c3)C[C@@H]2C1=O 877721099 VLGCDCAXJCOKIZ-TXEJJXNPSA-N 310.317 -0.352 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2C[C@H]3C=C[C@H]2O3)CC1 932037033 LNZCAANMECNPLG-QLFBSQMISA-N 317.389 -0.386 30 20 DBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)CC(N)=O)C1 938019595 VRWDONJWOHBHNY-HUBLWGQQSA-N 323.393 -0.050 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@H](NC(=O)Cc3nc[nH]n3)C2)c1 938898904 DQGIQCCJUMQZAX-JTQLQIEISA-N 313.321 -0.422 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](NC(=O)c2cccc(C(N)=O)n2)C1 941132886 AVHKWVGKFJQNAD-NXEZZACHSA-N 315.333 -0.329 30 20 DBED O=C(NC[C@H]1CN(C(=O)C#CC2CC2)CCO1)c1cncnc1 944558483 GAWDXDJQEBOSCN-AWEZNQCLSA-N 314.345 -0.153 30 20 DBED O=C(NC[C@@H]1CN(C(=O)C#CC2CC2)CCO1)c1cnon1 944736025 ARNWJTWZAGTJLO-LLVKDONJSA-N 304.306 -0.560 30 20 DBED C#CCN1CCOC2(CCN(C(=O)Cn3nccn3)CC2)C1 949378935 GIPDPUTUVPVJTQ-UHFFFAOYSA-N 303.366 -0.395 30 20 DBED C=CCN1CCN(C(=O)Cn2nc3ccccn3c2=O)CC1 949560120 FFMMJOJKNVEREW-UHFFFAOYSA-N 301.350 -0.174 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2cnc3nccnc3c2)C1 958139736 OPMXBBWHXPVAEO-OCCSQVGLSA-N 311.345 -0.320 30 20 DBED N#CCN1C[C@H](O)[C@H](CNC(=O)c2ccc3nn[nH]c3c2)C1 958662686 XQDRPMPABRZSCS-MFKMUULPSA-N 300.322 -0.496 30 20 DBED Cc1cc(CC(=O)N(C)[C@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)no1 958757697 JKKMQXULJFFJOS-ICCXJUOJSA-N 320.349 -0.285 30 20 DBED CC[C@H](OC)C(=O)N1C[C@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 962140301 VVUKCKHUICISKA-AGIUHOORSA-N 320.349 -0.387 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CN(C(=O)c3cn(C)c(O)n3)C[C@H]2C1 962261223 UQDLBIQXFUUBPR-GARJFASQSA-N 317.349 -0.184 30 20 DBED C[C@H](C#N)C(=O)N1CC2(C[C@H](NC(=O)c3cnn(C)n3)CO2)C1 965742293 HWCBFRIHLQKWCP-ZJUUUORDSA-N 318.337 -0.926 30 20 DBED C#CCCN1CC[C@H](C)[C@H](NC(=O)Cn2ccc(O)nc2=O)C1 967268753 MHIMHODFEYQHDT-QWHCGFSZSA-N 318.377 -0.201 30 20 DBED CCN(C(=O)[C@@H]1COCCN1C)C1CN(C(=O)[C@@H](C)C#N)C1 967886440 KLPXJRAAPJRSKW-AAEUAGOBSA-N 308.382 -0.464 30 20 DBED CCN1CCO[C@@H](C(=O)N(CC)C2CN(C(=O)[C@@H](C)C#N)C2)C1 968018216 ZGHIHJPJRMVCOA-GXTWGEPZSA-N 322.409 -0.074 30 20 DBED CC#CCN1CC[C@H](C)[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C1 968681584 KDYUHMLOIPZIAR-RYUDHWBXSA-N 318.381 -0.773 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@@H]1CCNC1=O 969164510 UHJOINXGUXFQIF-XQHKEYJVSA-N 318.377 -0.126 30 20 DBED C#CCN1CC([C@@H](C)NC(=O)[C@@H]2CCc3nnnn3CC2)C1 970457678 MXWIWDBGZCTESN-VXGBXAGGSA-N 302.382 -0.305 30 20 DBED C=C(Cl)CN[C@@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 970795251 BCOJAULNMPJMEX-SECBINFHSA-N 312.761 -0.680 30 20 DBED CN1CC[C@H](CC(=O)N2CC[C@]3(CN(CC#N)CCO3)C2)C1=O 972423355 CNIQAJBPSUTSEV-CJNGLKHVSA-N 320.393 -0.318 30 20 DBED NC(=O)C(=O)N1CCC[C@H]2CN(C(=O)C#CC3CC3)CC[C@H]21 973749783 AZTHKOLPWZZYDD-QWHCGFSZSA-N 303.362 -0.275 30 20 DBED C=CCCN1C[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C(C)(C)C1 975106793 PRWNAVAGYCAXTC-WDEREUQCSA-N 308.382 -0.013 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)[C@H]3CCC(=O)N3C)[C@H]2C1 977022627 BKQSGCVBLSGLNL-HMUNZLOLSA-N 304.350 -0.660 30 20 DBED CN(CC#N)C1CCN(C(=O)CC[C@H]2NC(=O)NC2=O)CC1 985782062 PTVMYQIZAXXYNH-LLVKDONJSA-N 307.354 -0.579 30 20 DBED C#Cc1ccccc1CC(=O)N1CC(NC(=O)Cn2cnnn2)C1 990180502 HOKMPBPAPUEHJA-UHFFFAOYSA-N 324.344 -0.776 30 20 DBED C=CCn1cc(C(=O)N2CC(NC(=O)C[C@@H]3CCCO3)C2)nn1 990310593 VKFUTSYOVAYGPP-LBPRGKRZSA-N 319.365 -0.026 30 20 DBED N#Cc1ccc(C(=O)NC2CN(C(=O)[C@H]3CCCNC3=O)C2)[nH]1 990894408 WQSBTBGCMWFMJA-NSHDSACASA-N 315.333 -0.647 30 20 DBED C=CCn1cc(C(=O)NC2CN(C(=O)[C@@H]3CO[C@H](C)C3)C2)nn1 991677578 RJSHDKDFPSJNSQ-MNOVXSKESA-N 319.365 -0.170 30 20 DBED C#CCNC1CC(N(C)C(=O)[C@H]2C[C@H](OC)CN2C(C)=O)C1 999177022 JCSLHZOIKCBSOP-PFSRBDOWSA-N 307.394 -0.166 30 20 DBED N#Cc1c[nH]c(C(=O)NCC2CN(C(=O)Cn3ccnc3)C2)c1 1001347777 RJSZZCQVDPSSQD-UHFFFAOYSA-N 312.333 -0.029 30 20 DBED C#CCN1CCC(N(C)C(=O)Cn2ccc(=O)n(C)c2=O)CC1 1005478742 YAPWHJHAKWGDKI-UHFFFAOYSA-N 318.377 -0.897 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C(N)=O)c1 1005972536 VGNAUVZDINDXIY-UPJWGTAASA-N 312.329 -0.590 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2C(NC(=O)c3ccc(C(N)=O)o3)[C@@H]2C1 1013485913 XBKGCIFNKWKXCG-IWSPIJDZSA-N 316.317 -0.275 30 20 DBED N#CCN1CC[C@H](NC(=O)c2cnc3c(c2)NC(=O)CO3)C1 1015126027 HIVZDXCKPMLZDS-JTQLQIEISA-N 301.306 -0.260 30 20 DBED CC#CCN1CC[C@H](NC(=O)[C@H]2C[C@H](OC)CN2C(C)=O)C1 1015404400 OJTBULSMLJEUEF-SOUVJXGZSA-N 307.394 -0.164 30 20 DBED C[C@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN([C@H]1CCC(=O)NC1=O)C2 1017423762 XPYWITLJZKCSQZ-RHYQMDGZSA-N 304.350 -0.374 30 20 DBED C#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)CCn1cnccc1=O 1018114390 VNENYHVNLZKYPI-OKILXGFUSA-N 300.362 -0.058 30 20 DBED C[C@H](C#N)C(=O)N1CCC2(CN(C(=O)CN3CCOCC3)C2)C1 1018954169 VNTJHXWLPLYGLP-CYBMUJFWSA-N 320.393 -0.461 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H](N[C@@H]2CCCNC2=O)C1 1020250782 QKKCIBRHSYLWRI-TUVASFSCSA-N 318.421 -0.401 30 20 DBED C#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2ncn(C)c2=O)C1 1021618006 BKTBXZFSEWFXRH-UONOGXRCSA-N 317.393 -0.472 30 20 DBED Cn1cnn(CC(=O)N2CCC[C@H]3CN(CC#N)CC[C@@H]32)c1=O 1021618310 DJTPMRBUYZXFKG-STQMWFEESA-N 318.381 -0.582 30 20 DBED C#CCN1CCC(C(=O)N2C[C@@H](O)[C@H](NC(=O)C(C)C)C2)CC1 1023084829 ADGYFVJWMJTYRT-HUUCEWRRSA-N 321.421 -0.325 30 20 DBED Cc1nscc1C(=O)N[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1O 1023461304 DTSLHQHZIVJSCD-AVPPRXQKSA-N 308.363 -0.087 30 20 DBED CCn1ccnc1C(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1O 1023542745 VDHFREPAOLCTIE-HBNTYKKESA-N 305.338 -0.636 30 20 DBED Cc1cc(C)n(CC(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2O)n1 1024612216 KGBTXXCSNPCBIR-OASPWFOLSA-N 319.365 -0.652 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)CN3CC[C@@H](C)C3)C2)C1=O 1030960507 UFDONGGATJXRDM-HIFRSBDPSA-N 320.437 -0.085 30 20 DBED C#CCCN1CC(CNC(=O)[C@@]23C[C@H]4C[C@@H](C(=O)N2)[C@H]3C4)C1 1031795992 YUCLVVYPPUXMAF-VYHVBIQSSA-N 301.390 -0.028 30 20 DBED C=CCN1CCO[C@H](CNC(=O)c2nccnc2C(N)=O)C1 1035603793 VPVPDGCJSZGVTL-SNVBAGLBSA-N 305.338 -0.808 30 20 DBED N#CCN1CCO[C@@H](CNC(=O)c2cc(C(N)=O)cs2)C1 1035616519 JKLKNSGUHGBKRI-JTQLQIEISA-N 308.363 -0.199 30 20 DBED C=CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)Cn1nc2ccccn2c1=O 1037525306 DPUIJYJMRBNUDQ-TYNCELHUSA-N 313.361 -0.129 30 20 DBED CC[C@@H]1CN(C(=O)CN2CCNC(=O)C2)CC[C@H]1NCC#N 1037890979 LGKDLFSOMFFZNC-CHWSQXEVSA-N 307.398 -0.842 30 20 DBED C#CCCN1CC[C@H]1CNC(=O)c1cc(=O)n2[nH]cnc2n1 1038919086 ALQDYNWDNDBAAB-JTQLQIEISA-N 300.322 -0.755 30 20 DBED CN1CCN(CC(=O)N2[C@H]3CC[C@H]2CN(CC#N)CC3)CC1=O 1039396785 GCVBSHLQHJUTEC-KBPBESRZSA-N 319.409 -0.651 30 20 DBED O=C(C#CC1CC1)NC[C@@]1(O)CCN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1039686088 WUJPANGHNRQSHL-SHFYGJNESA-N 318.373 -0.628 30 20 DBED Cc1ccnn1CC(=O)NC[C@]1(O)CCN(C(=O)[C@H](C)C#N)C1 1039743305 QCVJRAPALZKWSF-IAQYHMDHSA-N 319.365 -0.569 30 20 DBED Cc1nc(O)[nH]c1C(=O)NC[C@@]1(O)CCN(C(=O)[C@H](C)C#N)C1 1040131236 YOJVDCVWQZYMDW-CLAHSXSESA-N 321.337 -0.723 30 20 DBED N#Cc1cnc(N2C[C@@H](O)[C@H](NC(=O)[C@@]3(F)CCOC3)C2)cn1 1041304742 QEDQMRVBDDTTEI-JTNHKYCSSA-N 321.312 -0.857 30 20 DBED N#Cc1cnc(N2C[C@@H](O)[C@H](NC(=O)[C@@]34COC[C@@H]3C4)C2)cn1 1041398426 KHVJQDMLZVQHHB-NFOTXUCKSA-N 315.333 -0.950 30 20 DBED CCO[C@H]1C[C@H]1C(=O)NCC1(O)CN(C(=O)C#CC(C)C)C1 1041690656 NXOIEFIZWPXCFN-OLZOCXBDSA-N 308.378 -0.240 30 20 DBED C[C@@H]1CN(c2nccnc2C#N)C[C@H]1NC(=O)c1nccnc1N 1041805268 POOMYIFZQULILI-MWLCHTKSSA-N 324.348 -0.025 30 20 DBED C#CCN1CC[C@@H]2CCN(C(=O)c3cc(=O)n(C)cn3)C[C@H]21 1042099418 BOHYAGCRZUOSLB-TZMCWYRMSA-N 300.362 -0.050 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)C[C@H]2CCOC2)C1 1042245700 XBGPOWREBQUSFT-CYBMUJFWSA-N 308.378 -0.238 30 20 DBED N#Cc1c[nH]c(C(=O)NCC2(O)CN(C(=O)C3(CF)CC3)C2)c1 1042398332 WHUMHWROFWRDGR-UHFFFAOYSA-N 320.324 -0.061 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)CCCC(=O)NC)C1 1042679289 NRYPNYCXTYPAMT-UHFFFAOYSA-N 311.382 -0.442 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)Cc2ccc[nH]2)C1 1043292652 HVDPTSRAKAKBNJ-LBPRGKRZSA-N 321.377 -0.162 30 20 DBED C=CCCOCC(=O)NCC1(O)CN(C(=O)C2=COCCC2)C1 1043563951 FMPXVSSSAZEFJY-UHFFFAOYSA-N 324.377 -0.037 30 20 DBED Cn1nccc1C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1043865095 ONNRAJRYXADXHG-PWSUYJOCSA-N 313.321 -0.939 30 20 DBED Cn1cnc(C(=O)N[C@@H]2CN(c3ncccc3C#N)C[C@@H]2O)c1 1043911159 NKJHNPHFBZAZPC-YPMHNXCESA-N 312.333 -0.334 30 20 DBED C=CCn1cc(C(=O)N(C)C2CN(CC(=O)NC3CC3)C2)nn1 1044022861 TYWNEANQXWWBDB-UHFFFAOYSA-N 318.381 -0.501 30 20 DBED C=CCN1CC[C@H](N2CC(N(C)C(=O)[C@@H]3CCC(=O)N3)C2)C1=O 1044207733 QZNKNCXRHCOWMP-STQMWFEESA-N 320.393 -0.806 30 20 DBED C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1044547662 QKMFWUFPFULGHQ-WUWHUORYSA-N 317.349 -0.561 30 20 DBED C[C@H]1C[C@@H](NCC#N)CCN1C(=O)c1cc(=O)n2[nH]cnc2n1 1044821233 UWEMUKRVCFEYEO-UWVGGRQHSA-N 315.337 -0.476 30 20 DBED C#CCN1[C@H]2CC[C@H]1CN(C(=O)Cn1ncn(C)c1=O)CC2 1045805019 PBDDVUDGGZBMCG-STQMWFEESA-N 303.366 -0.720 30 20 DBED C#CCN1CC[C@H](N2CCN(C(=O)[C@H]3CCC(=O)NC3)CC2)C1 1046042861 OHCPYDIGYFTSNG-GJZGRUSLSA-N 318.421 -0.636 30 20 DBED C=CCN1CC[C@H](N2CC[C@](C)(NC(=O)c3cnn[nH]3)C2)C1=O 1046441734 MYCFEAZUVDPMNC-WFASDCNBSA-N 318.381 -0.214 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCc3n[nH]cc32)C1 1047380924 ADMIGWBTWCWBGW-UGFHNGPFSA-N 302.378 -0.034 30 20 DBED CC(=O)N1CCCC[C@H]1CC(=O)N(C)[C@H]1CN(CC#N)C[C@@H]1O 1047557799 MYZZGPKSDRALBM-KKUMJFAQSA-N 322.409 -0.195 30 20 DBED C=C(C)CCN1C[C@H](O)[C@@H](N(C)C(=O)CN2C(=O)CNC2=O)C1 1047619116 BRSOGTPQIJUCIN-RYUDHWBXSA-N 324.381 -0.992 30 20 DBED C=CCCOCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)COCC)C1 1048147258 KJBVSFUSBQIQIC-STQMWFEESA-N 314.382 -0.354 30 20 DBED CN(C(=O)CSCC#N)[C@H]1CN(C(=O)c2cc[nH]n2)C[C@@H]1O 1048301579 FFDAHCQSBZWAFC-QWRGUYRKSA-N 323.378 -0.690 30 20 DBED C#CCN1C[C@H]2CN(C(=O)[C@@H]3CN(C(C)=O)CCO3)C[C@H]2C1 1049197653 MKGFUAYMKGTPGT-ZNMIVQPWSA-N 305.378 -0.743 30 20 DBED Cc1cnn(CC(=O)N2C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)C#N)C2)c1 1049389248 VTABOJLMNOCXNM-AGIUHOORSA-N 319.365 -0.619 30 20 DBED C#CCCN1CCOC[C@H]1CNC(=O)[C@@H]1CN(C(C)C)CCO1 1051080822 FASWYQRQCDFDEB-CVEARBPZSA-N 323.437 -0.064 30 20 DBED CC#CCN1CCOC[C@H]1CNC(=O)c1c[nH]c(C(N)=O)c1 1051241818 OEMDHZLXKRJBNU-GFCCVEGCSA-N 304.350 -0.433 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)[C@@H]1CCNC(=O)C1)CCO2 1053218607 KWYOPQMFGXTZFY-CYBMUJFWSA-N 305.378 -0.551 30 20 DBED N#CCN1CC2(C1)CN(C(=O)[C@@H]1CCc3n[nH]cc3C1)CCO2 1053506949 WPWKZOCPULOLLK-GFCCVEGCSA-N 315.377 -0.049 30 20 DBED N#CCN1CC2(CC[C@@H](CNC(=O)[C@@H]3CCCNC3=O)O2)C1 1053613407 CVTVVTWJQUJXDF-NWDGAFQWSA-N 306.366 -0.614 30 20 DBED C#CCN1CC2(CC[C@@H](CNC(=O)[C@H]3CCCNC3=O)O2)C1 1053614659 ZYVVDTCSMPHNEW-STQMWFEESA-N 305.378 -0.505 30 20 DBED COc1ccnc(O)c1C(=O)N[C@@H]1COC2(C1)CN(CC#N)C2 1053984312 UWFLIOQBXFYQQZ-JTQLQIEISA-N 318.333 -0.108 30 20 DBED C[C@@H]1OCCO[C@@H]1C(=O)N1CCN(c2ccnc(C#N)n2)CC1 1056067939 ZLNPHDKSXGWIMN-FZMZJTMJSA-N 317.349 -0.199 30 20 DBED C#CCO[C@H](C)C(=O)NCCN(CCO)C(=O)c1cnccn1 1056835132 HXKDIFKWTBEJEW-GFCCVEGCSA-N 320.349 -0.934 30 20 DBED O=C(C#CC1CC1)NCCN(CCO)C(=O)Cc1ccon1 1057240662 QZWDUBXORWIOOD-UHFFFAOYSA-N 305.334 -0.432 30 20 DBED N#Cc1nc(=NC2CCN(C(=O)[C@@H]3COC(=O)N3)CC2)cc[nH]1 1057320407 FOSSYBXGSIEZNL-JTQLQIEISA-N 316.321 -0.719 30 20 DBED C#CCNC(=O)CC(=O)N(CCO)CCNC(=O)CCCC=C 1057395412 LTNUDOXJWNBTFN-UHFFFAOYSA-N 323.393 -0.581 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)[C@H]1CC(=O)N(C)C1 1057851193 CJXJROQEEYTYMU-ZDUSSCGKSA-N 323.393 -0.939 30 20 DBED C[C@@H](C(=O)N[C@@H]1CCN(c2ccc(C#N)nn2)C1)n1cncn1 1058318953 JUUKGYDQZRXFGL-CMPLNLGQSA-N 312.337 -0.104 30 20 DBED CN1C[C@H](C(=O)N[C@@H]2CCN(c3cnc(C#N)cn3)C2)CC1=O 1058578336 RMZPFECSVJQTPJ-GHMZBOCLSA-N 314.349 -0.479 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)C1(C)CCOCC1 1058653240 PWLWDBUQYUENTP-GFCCVEGCSA-N 311.382 -0.100 30 20 DBED Cn1nncc1C(=O)N1[C@H]2CC[C@H]1CN(c1ccnc(C#N)n1)C2 1058753461 UUGRQIWNHGLYDO-QWRGUYRKSA-N 324.348 -0.030 30 20 DBED Cn1nnc(C(=O)N2[C@H]3CC[C@H]2CN(c2ccc(C#N)nc2)C3)n1 1058790498 PHHRXBKDLISCJX-STQMWFEESA-N 324.348 -0.030 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)[C@]1(C)CCNC1=O 1058838755 JWWPTKQJYIIRGP-MRXNPFEDSA-N 323.393 -0.891 30 20 DBED C=CCOCC(=O)N1CC[C@H](CCNC(=O)[C@@H]2CNC(=O)N2)C1 1059337277 DUKZUWZOCAHHFF-RYUDHWBXSA-N 324.381 -0.775 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC[C@H](CCNC(=O)CC(N)=O)C1 1059831706 WLRSZBQFECVEJW-RYUDHWBXSA-N 311.382 -0.192 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)Cc1cncnc1 1061849034 YGRHRLOVSWNDKT-YPMHNXCESA-N 317.349 -0.478 30 20 DBED Cc1ncn(C)c1C(=O)N1CCOC[C@H]1CNC(=O)[C@@H](C)C#N 1061852720 LYXVKOBGPDWWKY-CMPLNLGQSA-N 319.365 -0.155 30 20 DBED Cn1nnc(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(C#N)cn2)n1 1062560585 FQZMNIJEBVDXBC-QWRGUYRKSA-N 310.321 -0.420 30 20 DBED N#Cc1ccc(NCCC2CCN(C(=O)C(N)=O)CC2)nn1 1063334517 CSYJCKAXGBRWKN-UHFFFAOYSA-N 302.338 -0.126 30 20 DBED C[C@H]1CCCN(C(=O)C(N)=O)[C@H]1CNc1nccnc1C#N 1063956694 LMMASSHAVVPKQH-ONGXEEELSA-N 302.338 -0.127 30 20 DBED Cn1nncc1C(=O)N[C@@H]1[C@H]2C[C@H]1N(c1ccc(C#N)nn1)C2 1064251305 WMALSPCROZAVJP-IYYTYJHQSA-N 310.321 -0.516 30 20 DBED N#Cc1cnc(NC[C@@H]2CCCN2C(=O)[C@@H]2CNC(=O)N2)cn1 1064997499 ATSGFACGBFJKFD-QWRGUYRKSA-N 315.337 -0.567 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CCCN(C(=O)CC(N)=O)CC1 1066106682 FVJQESHLUVKLJV-ABAIWWIYSA-N 311.382 -0.314 30 20 DBED N#Cc1nccnc1N1CCOC[C@H]1CNC(=O)c1ccon1 1066469062 VIFRWWFUNYZVBD-SNVBAGLBSA-N 314.305 -0.029 30 20 DBED N#Cc1nccnc1N1C[C@H](O)[C@H](CNC(=O)c2ccncc2)C1 1067643176 RBIWOUYFVSXPRJ-OCCSQVGLSA-N 324.344 -0.030 30 20 DBED N#Cc1cncc(NCC2CC(NC(=O)[C@H]3CCNC3=O)C2)n1 1067875655 JSAOVTVNCNMFIH-CBINBANVSA-N 314.349 -0.209 30 20 DBED CC#CCCCC(=O)N[C@@H]1COC2(C1)CN(C(=O)C(N)=O)C2 1068969884 AQQQCSLHOAQXMD-NSHDSACASA-N 307.350 -0.849 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CCCN(C(=O)c2cnnn2C)C1 1070680666 WUMGYHVNNFUECV-ABAIWWIYSA-N 321.381 -0.137 30 20 DBED CC#CCN1C[C@H]2C[C@H]3CN(C(=O)c4cn(C)nn4)C[C@@]3(C1)O2 1070796563 JCQFXMDWPWSIQU-WOSRLPQWSA-N 315.377 -0.246 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CCCN(C(=O)[C@H]2CCNC2=O)C1 1071068065 RNUQEBUYUQICCL-OLZOCXBDSA-N 303.362 -0.357 30 20 DBED C=CCN1CC[C@@]2(C1)CN(C(=O)CS(C)(=O)=O)C[C@H](C)O2 1071144665 SCSGJIDHCIIUGA-GXTWGEPZSA-N 316.423 -0.091 30 20 DBED C[C@@H]1CN(C(=O)Cc2nc[nH]n2)C[C@]2(CCN(CC#N)C2)O1 1071232009 XUWUWPDVOJMGKA-BXUZGUMPSA-N 304.354 -0.437 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(C(=O)CCOC)C[C@H]1C 1071432466 GWMHGQVIBUJODW-VXGBXAGGSA-N 309.366 -0.875 30 20 DBED C[C@@H]1CC[C@H](NC(=O)CN2CCN(C)C(=O)C2)CN1CC#N 1071623244 TYOFECCCKIZJJK-OLZOCXBDSA-N 307.398 -0.747 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(C(=O)COCCC)C[C@H]1C 1071754615 BBXJPKIXWXKYNX-CHWSQXEVSA-N 323.393 -0.484 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)c3nnn(C)c3C)C[C@H]21 1074197552 XOUMISAWEUFONZ-OLZOCXBDSA-N 303.366 -0.328 30 20 DBED C=CCN1CCO[C@H]2CCN(C(=O)CN3C(=O)CNC3=O)C[C@H]21 1074399997 NAHBFRFWSDAFNF-NEPJUHHUSA-N 322.365 -0.974 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(O)(CNC(=O)c2ccnn2C)CC1 1074704822 IWLDWUZWJIUVPE-NSHDSACASA-N 319.365 -0.337 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(C(=O)CNC(C)=O)[C@H](C)C1 1074893287 BLCIUSDJZVQNEN-YPMHNXCESA-N 311.382 -0.179 30 20 DBED C#CCOCCC(=O)NCC[C@H](C)NC(=O)[C@@H](C)NC(C)=O 1076504329 WIIYVSVSJYKQMY-NWDGAFQWSA-N 311.382 -0.438 30 20 DBED C=CCn1cc(C(=O)N[C@@H](C)CCNC(=O)c2cnn[nH]2)nn1 1077295367 LYIIQOXHJMXFIW-VIFPVBQESA-N 318.341 -0.479 30 20 DBED NC(=O)C(=O)N[C@@H]1CN(CC#Cc2ccc(Cl)cc2)C[C@H]1O 1077603660 DDIYVAZIGFFUOZ-CHWSQXEVSA-N 321.764 -0.662 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CN(C[C@H](CC)OC)C[C@H]2O)nn1 1077801118 DEEODZVVZNSTLJ-OUCADQQQSA-N 323.397 -0.336 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)CN2C(=O)CCC2=O)C1 1078150532 DTGGTEVOBJIOPE-VXGBXAGGSA-N 309.366 -0.737 30 20 DBED CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)C[C@H]2CCC(=O)N2)C1 1080412586 BVRBEQPFACDFFV-GHMZBOCLSA-N 306.366 -0.126 30 20 DBED C=CCCC(=O)N1C[C@H](CNC(=O)CCn2cncn2)[C@@H](O)C1 1081267457 JPRMBQZWCYEWBD-STQMWFEESA-N 321.381 -0.430 30 20 DBED CC#CCCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cnn[nH]2)C1 1081589142 AXDWICAOWSIQLP-WCQYABFASA-N 319.365 -0.453 30 20 DBED C=CCN1C[C@@H](NC(=O)[C@H]2CCCS(=O)(=O)C2)[C@H](OC)C1 1082195511 OGSJFKGRQMQQHY-YNEHKIRRSA-N 316.423 -0.187 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H]2CN(Cc3cnnn3C)C[C@@H]21 1083026344 WXQMICQZQUCHGS-KGYLQXTDSA-N 304.354 -0.614 30 20 DBED C=CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1ccc(=O)n(C)n1 1083266979 CCZRVTBOIGDGHJ-QWHCGFSZSA-N 304.350 -0.509 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCCN2C2CCOCC2)C1 1083519694 GDXPOWUDTDZYJT-PMPSAXMXSA-N 321.421 -0.576 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2cccc3c2oc(=O)n3C)C1 1083522604 NENPGCFIDSPGKS-YPMHNXCESA-N 315.329 -0.460 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2nc3cnccc3s2)C1 1083624981 IYNFGLFPQJAGSY-ZJUUUORDSA-N 303.347 -0.010 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)c2cc(=O)c(OC)co2)C1 1083642529 NBLOSJGRDDWMFV-PWSUYJOCSA-N 308.334 -0.001 30 20 DBED Cn1cc2c(n1)CCC[C@@H]2C(=O)N[C@@H]1CN(CC#N)C[C@@H]1O 1083729727 CIKZGQYGFIHTLA-GDLCADMTSA-N 303.366 -0.475 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)c2ccnc3nc(C)nn23)C1 1083949263 YWTJYLSBYLTNKO-YPMHNXCESA-N 316.365 -0.216 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](NC(=O)c2cc(C(N)=O)ccn2)C1 1084132126 IXXAHNMHYLJCQC-KGLIPLIRSA-N 318.377 -0.078 30 20 DBED CC#CCN1CC[C@@H]2CN(C(=O)CN3CC(=O)NC3=O)[C@@H]2C1 1084725259 QZOWYVWOYDZGKA-VXGBXAGGSA-N 304.350 -0.906 30 20 DBED C#CCN[C@@H]1CCCC[C@H]1NC(=O)c1nccnc1C(N)=O 1085417224 MWTKOCPTWHFWJP-GHMZBOCLSA-N 301.350 -0.161 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1c1cnn(C)c1 1087002434 ZGIHCRBKPFAYNW-GXTWGEPZSA-N 313.365 -0.620 30 20 DBED CNC(=O)NCC(=O)N1CC[C@H](N=c2cc[nH]c(C#N)n2)[C@@H]1C 1090246071 NAQPXOPYAJCJSL-UWVGGRQHSA-N 317.353 -0.900 30 20 DBED C#CCN1CC[C@H](NC(=O)Cn2ncc3cccnc32)[C@@H](O)C1 1090436401 QNPSKXCCVGQBFI-KBPBESRZSA-N 313.361 -0.384 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2cncc(C(N)=O)c2)[C@@H](O)C1 1090819524 CGWAZGCMHMKCHF-KBPBESRZSA-N 316.361 -0.631 30 20 DBED Cn1nnc2cccc(C(=O)N[C@@H]3CCN(CC#N)C[C@@H]3O)c21 1090857769 LSBZYHSBURYLKP-YPMHNXCESA-N 314.349 -0.343 30 20 DBED C#CCN1CC(OC2CCN(C(=O)C(C)(C)C(N)=O)CC2)C1 1093543300 NNEKTYIDEGYOLY-UHFFFAOYSA-N 307.394 -0.177 30 20 DBED N#Cc1ccc(NCCNC(=O)[C@H]2CCS(=O)(=O)N2)cn1 1093659278 CFOGNDGVAPXAJO-LLVKDONJSA-N 309.351 -0.827 30 20 DBED N#Cc1cncc(NCCNC(=O)c2ccc(C(N)=O)nc2)n1 1093699075 XGZDIJUKROMLJW-UHFFFAOYSA-N 311.305 -0.316 30 20 DBED C#Cc1ccc(C(=O)NCCNc2ccc3nnnn3n2)nc1 1093764264 BLKAELJFKBIYLV-UHFFFAOYSA-N 308.305 -0.263 30 20 DBED Cn1cnnc1COCC(=O)NCCNc1cnc(C#N)cn1 1093838158 SHJQCRPZOVJBRT-UHFFFAOYSA-N 316.325 -0.778 30 20 DBED N#Cc1nc(=NCCNC(=O)c2ccc3nn[nH]c3n2)cc[nH]1 1094209998 VVGIETBRDVBBFX-UHFFFAOYSA-N 309.293 -0.722 30 20 DBED CCc1cc(C(=O)NCc2cn(C3CN(CC#N)C3)nn2)n[nH]1 1094275020 ZCJQTDHAPHINDF-UHFFFAOYSA-N 314.353 -0.126 30 20 DBED C#CCN1CCN(C(=O)[C@@H]2C[C@H]2C2CC2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094666886 BNQGBSZRSQFRCS-LJISPDSOSA-N 322.430 -0.025 30 20 DBED CN1CC[C@@H](C(=O)NCCCNc2cnc(C#N)cn2)C1=O 1094705350 MOVURPOLRMPEDO-NSHDSACASA-N 302.338 -0.255 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)c3c(C)ncn3C)CC2=O)C1 1094747364 QIPWDHXYCAAKSU-GFCCVEGCSA-N 317.393 -0.071 30 20 DBED Cc1nsc(NCCCNC(=O)[C@H]2CNC(=O)N2)c1C#N 1094749451 BGGDDPUZTHCOBJ-SECBINFHSA-N 308.367 -0.077 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)CN3CC[C@@H](C)C3)CC2=O)C1 1094786856 DISJAVPLCAMOHY-ZIAGYGMSSA-N 320.437 -0.085 30 20 DBED CN(CCCNC(=O)[C@H]1CCC(=O)N1)c1cnc(C#N)cn1 1095494109 USQGGWWGGFUNFJ-LLVKDONJSA-N 302.338 -0.431 30 20 DBED CS(=O)(=O)CC(=O)N[C@@H]1CCN(c2ncccc2C#N)C1 1096343698 UAFBTVFELBCNCO-LLVKDONJSA-N 308.363 -0.307 30 20 DBED N#Cc1cccnc1N1CC[C@H](NC(=O)CCNC(N)=O)C1 1096378413 RFKIGXWKSOLELD-NSHDSACASA-N 302.338 -0.293 30 20 DBED N#Cc1cnc(N2CC[C@H](NC(=O)CCNC(N)=O)C2)cn1 1096378737 WLYWTCKOVGJTCJ-VIFPVBQESA-N 303.326 -0.898 30 20 DBED CNC(=O)NC(C)(C)C(=O)NC[C@H](C)Nc1cnc(C#N)cn1 1097889438 JIWVDGNBPNEDOM-VIFPVBQESA-N 319.369 -0.028 30 20 DBED C[C@@H](CNC(=O)[C@]1(C)CCC(=O)N1)Nc1cnc(C#N)cn1 1098238013 MHQKXGMWOIPRIA-XPTSAGLGSA-N 302.338 -0.066 30 20 DBED C[C@H](CCNC(=O)[C@H]1COC(=O)N1)Nc1cnc(C#N)cn1 1099077358 MHKAWSGNZNXDHP-PSASIEDQSA-N 304.310 -0.237 30 20 DBED C[C@@H](CCNC(=O)C1CS(=O)(=O)C1)N=c1cc[nH]c(C#N)n1 1099522868 WDJHVHCHHFFUNU-VIFPVBQESA-N 323.378 -0.879 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)CCC2CC2)[C@H](O)C1 1099751410 AGYIXTSHCWYKSG-ZIAGYGMSSA-N 307.394 -0.523 30 20 DBED C=C(Cl)CN1CC[C@H](NC(=O)CCNC(=O)NC)[C@H](O)C1 1099813049 JJCNJYUDEGRJFB-WDEREUQCSA-N 318.805 -0.391 30 20 DBED N#CCN1CC[C@@H](NC(=O)CNC(=O)c2ccoc2)[C@@H](O)C1 1099847256 JJJZVAXHOVIMDI-NEPJUHHUSA-N 306.322 -0.916 30 20 DBED C#CCN1CC[C@H](NC(=O)CCc2cc(OC)no2)[C@@H](O)C1 1099853293 NRAVDOPTMDKRKR-STQMWFEESA-N 307.350 -0.200 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CCn2ccccc2=O)[C@@H](O)C1 1099867528 YAPHTKZDMIISIT-CABCVRRESA-N 317.389 -0.187 30 20 DBED C#CCN1CC[C@H](NC(=O)CCCn2ccccc2=O)[C@@H](O)C1 1099944975 SLITZIVXIFJXEI-GJZGRUSLSA-N 317.389 -0.187 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)c2ncccn2)[C@@H](O)C1 1100040886 BHDCRVKFSVSPTP-OLZOCXBDSA-N 306.366 -0.156 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CS(=O)(=O)CCC)[C@H](O)C1 1100114973 XETOSVVVYVMVCT-CHWSQXEVSA-N 316.423 -0.614 30 20 DBED C=CCNC(=O)CNC1CC(CNC(=O)CCC(=O)NCC)C1 1100181917 FOVBIANAXLBYIG-UHFFFAOYSA-N 324.425 -0.311 30 20 DBED CCN(CCNC(=O)[C@@H]1CCNC(=O)C1)c1cncc(C#N)n1 1100498855 KIUKLUSEOXGHSB-LLVKDONJSA-N 316.365 -0.183 30 20 DBED CN1C[C@@H](C(=O)N(C)CCNc2ncccc2C#N)NC1=O 1101903304 YGWDLBGUPSRKNY-NSHDSACASA-N 302.338 -0.153 30 20 DBED CC[C@@H](CNC(=O)CS(C)(=O)=O)Nc1ccc(C#N)nn1 1102997541 MYUAAJJWPVMZSB-VIFPVBQESA-N 311.367 -0.300 30 20 DBED C#CCCN1C[C@@H](C)[C@H](CCNC(=O)CN2CC(=O)NC2=O)C1 1103544272 IVUSJVJDJIPBKT-CHWSQXEVSA-N 320.393 -0.364 30 20 DBED C[C@H](CNc1cncc(C#N)n1)N(C)C(=O)c1nnn(C)n1 1104763524 IGVINEGMJJSJFZ-MRVPVSSYSA-N 301.314 -0.556 30 20 DBED C[C@H](CNc1ccc(C#N)cn1)N(C)C(=O)[C@@H]1CNC(=O)N1 1104785165 ODHJACZGAMXQTE-KOLCDFICSA-N 302.338 -0.107 30 20 DBED C#CCNCc1cn(C2CN(C(=O)[C@@H](C)OCC=C)C2)nn1 1105381354 XWOKARBIDSWWJM-GFCCVEGCSA-N 303.366 -0.025 30 20 DBED CN(CCN(C)c1ccc(C#N)cn1)C(=O)[C@@H]1CCNC1=O 1105535043 IJFJMEALSSUEJH-GFCCVEGCSA-N 301.350 -0.016 30 20 DBED N#Cc1nc(=NC[C@@H]2CCC[C@@H]2NC(=O)CNC(N)=O)cc[nH]1 1105634858 DQZDQBFYFZXOFY-UWVGGRQHSA-N 317.353 -0.865 30 20 DBED CO[C@@H](C)CC(=O)NC[C@@H](O)CNc1nc(C)cc(C#N)n1 1105782491 MUIQHGAUVRHKHH-CMPLNLGQSA-N 307.354 -0.029 30 20 DBED Cn1cc(CC(=O)NC[C@@H](O)CNc2cncc(C#N)n2)cn1 1105783399 YYRTUQHGONETCE-LBPRGKRZSA-N 315.337 -0.787 30 20 DBED Cn1cc(C(=O)NC[C@H](O)CNc2ncccc2C#N)nn1 1105816389 YEGMFAWFZZKUDJ-SNVBAGLBSA-N 301.310 -0.715 30 20 DBED C=CCOCC(=O)N1C[C@@H](C)[C@H](CNCC(=O)NC(N)=O)C1 1105942041 VTCJWIVBRVVCLN-GHMZBOCLSA-N 312.370 -0.932 30 20 DBED Cc1cc(=NC[C@@H](O)CNC(=O)c2ccnnc2)c(C#N)c[nH]1 1106114775 QXWVGTAXSINEPT-CYBMUJFWSA-N 312.333 -0.324 30 20 DBED C=C(C)CNC[C@@H]1CN(C(=O)Cn2c(O)nnc2O)C[C@H]1C 1106923208 IPAIVZZOLGFBGE-GHMZBOCLSA-N 309.370 -0.051 30 20 DBED CC[C@H](C)C(=O)NC[C@]1(C)CN(CC(=O)NCC#N)CCO1 1107752334 RYJCDCVKCLUPPI-SWLSCSKDSA-N 310.398 -0.121 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)c2cn(CCOC)nn2)C1 1107939968 MUGJSOYRNXOQKA-HNNXBMFYSA-N 321.381 -0.622 30 20 DBED C[C@@]1(CNC(=O)CCCn2cncn2)CN(CC#N)CCO1 1108324988 JKAZUQJCOXOKKR-CQSZACIVSA-N 306.370 -0.211 30 20 DBED C#CCCN1CCO[C@](C)(CNC(=O)C[C@H]2CC(=O)NC2=O)C1 1108446793 JLYBVGSDGZHULA-BLLLJJGKSA-N 321.377 -0.730 30 20 DBED C#CCCN1CC(N2C[C@@H](NC(=O)COCC=C)CC2=O)C1 1108523568 MHYCNZSOVGROPV-ZDUSSCGKSA-N 305.378 -0.386 30 20 DBED C[C@H](CN(C)c1ccnc(C#N)n1)NC(=O)[C@@]1(C)CCNC1=O 1109239900 HCGWFLNNOZADAS-BMIGLBTASA-N 316.365 -0.185 30 20 DBED C=CCCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CNS(=O)(=O)NC 1109564395 POTSSSKRMQHVHC-WOPDTQHZSA-N 316.427 -0.662 30 20 DBED CN(CCCN=c1cc[nH]c(C#N)n1)C(=O)[C@H]1CC[C@H]1C(N)=O 1109580062 MZGOKAASCDERKF-MNOVXSKESA-N 316.365 -0.458 30 20 DBED COC(=O)NCC(=O)N[C@H]1[C@H]2C[C@H]1N(c1cnc(C#N)cn1)C2 1109684083 JRHIBJMLTBVLDA-PLMOITTCSA-N 316.321 -0.602 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1nc(=O)n(C)[nH]1 1110394689 JFVALYNBUPIBNN-ZDCRXTMVSA-N 304.354 -0.510 30 20 DBED N#Cc1cnc(N2CC[C@](O)(CNC(=O)CC(N)=O)C2)c(F)c1 1111054192 XCIHQMWTMKBQMZ-AWEZNQCLSA-N 321.312 -0.975 30 20 DBED C#CCCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H](C)NS(C)(=O)=O 1111067820 PAIURJGCYSQDLT-LOWDOPEQSA-N 313.423 -0.331 30 20 DBED COCC#CCN1C[C@@H]2CCC[C@]2(NC(=O)CNC(=O)OC)C1 1111624679 BUUWUDMLDMZCNH-BBRMVZONSA-N 323.393 -0.037 30 20 DBED C[C@@H](C#N)C(=O)N[C@]12CCC[C@H]1CN(Cc1nnnn1C)C2 1111660643 QQQRHGCMPFFEFK-MJVIPROJSA-N 303.370 -0.160 30 20 DBED CCNC(=O)NC(=O)[C@H](C)N1CCN(C(=O)[C@H](C)C#N)CC1 1112711457 BNXKRWOSCLZRMU-MNOVXSKESA-N 309.370 -0.476 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCN([C@@H]2CCN(CC=C)C2=O)CC1 1112846249 JKQCTYYWQSMIEU-LSDHHAIUSA-N 319.405 -0.044 30 20 DBED CNC(=O)NCCC(=O)N[C@H](C)[C@@H](C)Nc1cnc(C#N)cn1 1113000597 DIVFPZBSTPFOFH-NXEZZACHSA-N 319.369 -0.028 30 20 DBED C[C@@H](NC(=O)CCn1cnnn1)[C@@H](C)Nc1cnc(C#N)cn1 1113125059 SPECVOPIGKGXGV-NXEZZACHSA-N 315.341 -0.270 30 20 DBED C[C@H](NC(N)=O)C(=O)NC[C@H](C)N(C)c1ccc(C#N)cn1 1113578419 ZPYRWUYKAZWLAE-UWVGGRQHSA-N 304.354 -0.049 30 20 DBED C=CCC[C@H](C)N1CCN(C(=O)c2cn(CC(N)=O)nn2)CC1 1113681362 RNVPPOCBXCROMR-LBPRGKRZSA-N 320.397 -0.124 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3cnc(C)cn3)[C@H]2C1 1113801137 NQVRRRPXKQSSII-RYUDHWBXSA-N 313.361 -0.806 30 20 DBED Cc1cc(C#N)nc(N(C)[C@H](C)CNC(=O)[C@H]2CCNC2=O)n1 1113802932 XQROCCYXRKOWMM-PWSUYJOCSA-N 316.365 -0.266 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)CCC(=O)NCC)[C@@H]2C1 1114045289 XERNBQUPCKQXAS-VXGBXAGGSA-N 322.409 -0.749 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3cccc(O)n3)[C@H]2C1 1114101340 NIGWQAFLIUUTFY-HBYGRHMLSA-N 316.361 -0.251 30 20 DBED CS(=O)(=O)CC1(CC(=O)NC2[C@@H]3CN(CC#N)C[C@@H]23)CC1 1114283169 OADQGABTABLTQW-GHMZBOCLSA-N 311.407 -0.229 30 20 DBED CNC(=O)CC(=O)N1C[C@H]2CC[C@H]1CN2c1cnc(C#N)cn1 1114388166 KOFSIWXVTDDWGT-NEPJUHHUSA-N 314.349 -0.336 30 20 DBED C[C@H](CCCN=c1cc[nH]cc1C#N)NC(=O)c1nnn(C)n1 1115051498 DNHXMQPQSZBCHI-SNVBAGLBSA-N 314.353 -0.091 30 20 DBED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NCc1ncn(C)n1 1117724323 FRASZRNIFFFYKK-CMPLNLGQSA-N 307.354 -0.471 30 20 DBED COCC#CC(=O)N1CCN(c2ncccc2C(N)=O)CC1 1118636181 JZJUMPCQSIXNOR-UHFFFAOYSA-N 302.334 -0.521 30 20 DBED CS(=O)(=O)[C@H]1CCN(C(=O)C(=O)N2CCC[C@H](C#N)C2)C1 1120446791 QRLDSTLKKOOJPO-MNOVXSKESA-N 313.379 -0.606 30 20 DBED Cn1cc(C(=O)NC[C@H](CO)Nc2nccnc2C#N)cn1 1121024339 JYHONJZCVLXRLW-SNVBAGLBSA-N 301.310 -0.715 30 20 DBED Cc1cc(=N[C@H](CO)CNC(=O)c2cnns2)c(C#N)c[nH]1 1121092758 SDOAPQKJEVHMTG-JTQLQIEISA-N 318.362 -0.262 30 20 DBED CC(=O)N[C@@H](C)C(=O)NC[C@@H](CO)Nc1ccc(C#N)c(C)n1 1121178280 RRFXDOAHGCVWKK-GWCFXTLKSA-N 319.365 -0.325 30 20 DBED CCc1nc(C#N)cc(N[C@H](CO)CNC(=O)[C@@H]2CCCO2)n1 1121183017 HSBHVULEROXXPW-RYUDHWBXSA-N 319.365 -0.021 30 20 DBED C=CCn1c(Cc2nc[nH]n2)nnc1N1CCN(C)C(=O)C1 1121642742 LJRUSBWWFOWVKL-UHFFFAOYSA-N 302.342 -0.549 30 20 DBED N#Cc1cnc(N[C@H](CO)CNC(=O)CCc2cnc[nH]2)cn1 1122748579 UVSHKGRAYZZEQY-LBPRGKRZSA-N 315.337 -0.407 30 20 DBED CN(C[C@H](O)CN(C)c1ccc(C#N)nn1)C(=O)c1cc[nH]n1 1125017965 LFENOMCCDHZSRW-LLVKDONJSA-N 315.337 -0.359 30 20 DBED C#CCO[C@H](C)C(=O)NCCN[C@@H](C)C(=O)NC(=O)NC1CC1 1127051816 NEEOXKGZFOIARR-WDEREUQCSA-N 324.381 -0.893 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cnc2cc(C)ccn12 1128108854 WTDWOSPNDQYTKF-UHFFFAOYSA-N 313.361 -0.288 30 20 DBED C#CCN1CCn2ncc(CNC(=O)[C@H](C)S(C)(=O)=O)c2C1 1128397410 XJWXUVFWFOSEBJ-NSHDSACASA-N 324.406 -0.619 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)CN(C)C(=O)C(C)C)C1=O 1128590972 ZDTSJVQCCVMAGZ-ZDUSSCGKSA-N 324.425 -0.407 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)CCCNC(=O)C1CC1 1128702092 ZPKFZQWHYQANDZ-GFCCVEGCSA-N 324.425 -0.311 30 20 DBED C=CCNC(=O)CNCCNC(=O)CN1CCCCCCC1=O 1128823689 SLIOCDIJBGPBTC-UHFFFAOYSA-N 324.425 -0.213 30 20 DBED COCC#CCN1C[C@H]2C[C@@H]3CN(C(=O)[C@@H](C)OC)C[C@@]3(C1)O2 1131186710 CYZZRQDSLGNMIN-KCYZZUKISA-N 322.405 -0.027 30 20 DBED CN(C)C1(CC(=O)NCCNCC(=O)NCC#N)CCCC1 1131835606 YSYPMIUWDCEILE-UHFFFAOYSA-N 309.414 -0.404 30 20 DBED C#CCCN1C[C@@H](NC(=O)CCNS(C)(=O)=O)CC[C@@H]1C 1132078615 NGTLTZOMXJALGK-STQMWFEESA-N 315.439 -0.082 30 20 DBED CN1C[C@H](C(=O)NCCNCc2ccc(F)c(C#N)c2)NC1=O 1132382362 JATYPHXJTCNAPS-CYBMUJFWSA-N 319.340 -0.073 30 20 DBED C=CCNC(=O)CNC[C@H]1CN(C(=O)c2nc[nH]n2)CC[C@@H]1C 1133181999 MKDMAVKZCHXZED-RYUDHWBXSA-N 320.397 -0.205 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1ocnc1C(F)F 1133928844 KKWBDLHGHVDVMH-UHFFFAOYSA-N 300.265 -0.319 30 20 DBED Cc1cncn1CC(=O)N[C@H](C)C[C@@H](C)NCC(=O)NCC#N 1135029642 PUSJHBZIGAXRBQ-VXGBXAGGSA-N 320.397 -0.296 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)C(C)(C)CNC(C)=O)C1=O 1135172945 QAYWCCJUSYJLPT-ZDUSSCGKSA-N 324.425 -0.359 30 20 DBED C#CCNC(=O)CNCCNC(=O)C[C@H](OC)C(F)(F)F 1146924782 JLXHSLFLSIBMII-VIFPVBQESA-N 309.288 -0.591 30 20 DBED CN(C)[C@@H]1CCC[C@H](C(=O)NCCNCC(=O)NCC#N)C1 1147824509 KPDPFTQSDFFMNE-QWHCGFSZSA-N 309.414 -0.548 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)[C@H]1CCCC(=O)N1C 1149478073 ZUDKCLMZSPTGPJ-NWDGAFQWSA-N 310.398 -0.606 30 20 DBED N#CCN1CCCO[C@H](CNC(=O)C(=O)NCC(F)F)C1 1149930210 JFHQRAHBZZIRIH-SECBINFHSA-N 304.297 -0.902 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@@H]1CCc2c[nH]nc2C1 1151723446 PBWAPEUHGHGFEY-LLVKDONJSA-N 305.382 -0.477 30 20 DBED C=CCNC(=O)CN(CC)[C@H](C)CNC(=O)c1cc(=O)n(C)o1 1153001829 YSQBHSIQTYDWJB-LLVKDONJSA-N 324.381 -0.279 30 20 DBED C=C[C@](C)(O)CC(=O)NCCCNCCOCCNC(C)=O 1157201358 GUSVOYRTIJIGCK-HNNXBMFYSA-N 315.414 -0.438 30 20 DBED C#CCN(C)C[C@H]1CCCCN1C(=O)Cn1nc(C)n(C)c1=O 1158811526 KOKKHENWURXBDP-CQSZACIVSA-N 319.409 -0.164 30 20 DBED C#CCC1(C(=O)NCCCN[C@H]2CCNC2=O)CCOCC1 1159644346 LVRQPWBBUXMHML-ZDUSSCGKSA-N 307.394 -0.209 30 20 DBED C#CCC1(C(=O)NCCCNCC(=O)NCC#N)CCOCC1 1159649687 CKNIZIKXULQDQF-UHFFFAOYSA-N 320.393 -0.458 30 20 DBED C#CCNCC1(CCNC(=O)CN(C)S(C)(=O)=O)CC1 1165314659 JDKPRZWZIJODSO-UHFFFAOYSA-N 301.412 -0.613 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCC1(CNCC(=O)NC)CC1 1165546029 WAOKFXVMFAEPBC-AWEZNQCLSA-N 320.437 -0.294 30 20 DBED COCCS(=O)(=O)CC(=O)NCCC1(CNCC#N)CC1 1165776602 PXUMKNHQVFOAFK-UHFFFAOYSA-N 317.411 -0.553 30 20 DBED C#CCCNCCCC[C@H](C)NC(=O)[C@@H]1CC(=O)NC(=O)N1 1175502337 HSPMLIWYQWSMIQ-RYUDHWBXSA-N 308.382 -0.128 30 20 DBED N#CCNC(=O)CNCCCNC(=O)c1ccc2nn[nH]c2c1 1175800884 AIZPSLNJAOKNJO-UHFFFAOYSA-N 315.337 -0.693 30 20 DBED C=CCOCCNCCCNC(=O)[C@@H]1COCCN1C(C)=O 1176530528 LNGFXBBAZUBBBF-AWEZNQCLSA-N 313.398 -0.468 30 20 DBED C#CCCN1CCO[C@H]2CCN(C(=O)CC(=O)N(C)C)C[C@H]21 1177108193 ZDGOQLIEMGOHAH-KGLIPLIRSA-N 307.394 -0.210 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](NCC(=O)NCC=C)[C@@H]1C 1178508735 RDTMLZNSHACYAJ-STQMWFEESA-N 320.393 -0.993 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)c2snnc2C)C1 1180921743 UYPQUJTWJFBHBF-SNVBAGLBSA-N 309.395 -0.047 30 20 DBED N#CCNC(=O)CN[C@@H]1CCN(C(=O)c2ccnc(O)c2)C1 1181964963 KZPKQWLNRJPWHT-LLVKDONJSA-N 303.322 -0.769 30 20 DBED C#CCNC[C@H]1CN(C(=O)C(C)(C)C(N)=O)CC12CCOCC2 1186410383 UNBHNCKIELHOQE-ZDUSSCGKSA-N 321.421 -0.024 30 20 DBED C#CCOc1ncccc1C(=O)N1CC[C@@H](NCC(=O)NC)C1 1187184173 DGZLZALNGKLUHC-GFCCVEGCSA-N 316.361 -0.356 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3cnco3)[C@@H]2C1 1188706951 NXUYNERHPCKVCU-NWDGAFQWSA-N 302.334 -0.430 30 20 DBED CCCCCCCN1C[C@@H](O)[C@H](NC(=O)Cn2cnnn2)C1 1190922871 NPKNINBPWYXVNZ-CHWSQXEVSA-N 310.402 -0.195 30 20 DBED N#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC23CC3)C1 1194064234 WVKWTCJEKLYOFK-JHJVBQTASA-N 320.393 -0.632 30 20 DBED C=CCOCCN(C)[C@@H]1CCN(C(=O)CS(=O)(=O)NC)C1 1194090302 WYLVVUNLUARADJ-GFCCVEGCSA-N 319.427 -0.729 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@@H](C)OCC#C)CC1 1195791638 HPUSOWWOUQDSBR-CQSZACIVSA-N 305.378 -0.692 30 20 DBED C=CCNC[C@H]1CN(C(=O)CC[C@H]2NC(=O)NC2=O)CCCO1 1202022725 YEJHHEBDONHUEP-NWDGAFQWSA-N 324.381 -0.632 30 20 DBED Cc1cc(NC(=O)C(=O)N2CCCO[C@@H](CNCC#N)C2)no1 1202066839 BYLUZPLTUCBPQI-NSHDSACASA-N 321.337 -0.348 30 20 DBED Cc1nc(C)c(C(=O)N2CCC(NCC(=O)NCC#N)CC2)[nH]1 1202540337 VFKCJYQJXZGPAN-UHFFFAOYSA-N 318.381 -0.139 30 20 DBED C#CCCNC1CCN(C(=O)[C@@H]2CCN(C)S2(=O)=O)CC1 1202872706 MWWYAFUICRYJGL-ZDUSSCGKSA-N 313.423 -0.376 30 20 DBED COCC#CCN[C@@H]1C[C@@H](NC(=O)c2nnn(C)n2)C12CCC2 1203266807 VFKYEZVPIWDLBA-VXGBXAGGSA-N 318.381 -0.510 30 20 DBED CNC(=O)C1(C(=O)N2CCC(CNCC#CCOC)CC2)CC1 1206582597 ZGVMRIXEUCNFOV-UHFFFAOYSA-N 321.421 -0.009 30 20 DBED N#Cc1cc(C(=O)N2CCC[C@@H](NCC(=O)NC(N)=O)C2)c[nH]1 1207856993 QHWJSFQVPPSGQJ-SNVBAGLBSA-N 318.337 -0.725 30 20 DBED C#CCN[C@@H]1CCCN(C(=O)[C@H](C)NS(=O)(=O)CC)C1 1208110583 NZGBHNLQACABCH-NWDGAFQWSA-N 301.412 -0.472 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)c2csc(O)n2)C1 1209119666 BOQYWWPUSRUBTC-SNVBAGLBSA-N 322.390 -0.208 30 20 DBED CC#CCN[C@@H]1CCCN(C(=O)COCc2ncnn2C)C1 1210412497 NBNQGAPTJBPUFH-CYBMUJFWSA-N 305.382 -0.064 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)c2ccc(O)nn2)C[C@H]1C 1214087123 IIQREHNPDUBPSN-DGCLKSJQSA-N 304.350 -0.118 30 20 DBED C#CCCN[C@@H]1CN(C(=O)[C@H]2COCCN2C(C)=O)C[C@H]1C 1216795220 KAEFRYWCZSXYPU-BPLDGKMQSA-N 307.394 -0.307 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2cncc(F)c2)C1 1219448454 WSZWAPNJWMOSDG-OLZOCXBDSA-N 322.340 -0.702 30 20 DBED CC(C)(C)C#CC(=O)N[C@@H]1CN([C@@H]2CCCNC2=O)C[C@@H]1O 1219596239 LCBKZHCEEZPAGY-UPJWGTAASA-N 307.394 -0.524 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)CCCNC(=O)C2CC2)C1 1219736036 FMUISWKVBOUJBG-KGLIPLIRSA-N 307.394 -0.523 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)c2c(C)cnn2C)C1 1220164612 PFGFEHILACARHS-OLZOCXBDSA-N 308.382 -0.294 30 20 DBED C=CCCCN1C[C@H](O)[C@H](NC(=O)[C@H]2CN(CC)CCO2)C1 1221020122 HJSSSSAJGPIICA-QLFBSQMISA-N 311.426 -0.165 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@@H](c2cccnc2)N(C)C)C1 1221102537 XOKWUOQAPBWZGB-OWCLPIDISA-N 316.405 -0.131 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3cc[nH]c3)[C@@H]2C1 1221564276 NQUBRWVHYRPPQJ-ZIAGYGMSSA-N 300.362 -0.090 30 20 DBED COCC#CCN1CC[C@@H]2CN(C(=O)[C@H]3CCCNC3=O)[C@@H]2C1 1221631446 QOEJJKYBOYJKPE-QLFBSQMISA-N 319.405 -0.305 30 20 DBED C=CCNC(=O)[C@H](C)N1CCC(NC(=O)CNC(=O)CC)CC1 1226626305 XZIKYVGTTHHZGP-LBPRGKRZSA-N 324.425 -0.216 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)C[C@H]2COC(=O)C2)CC1 1226876222 PCAUGGKDVZDPAP-GFCCVEGCSA-N 323.393 -0.178 30 20 DBED C#CCCCC(=O)NC1CCN([C@@H](C)C(=O)NC(N)=O)CC1 1227107272 AXBCUBPTHZSHSC-NSHDSACASA-N 308.382 -0.046 30 20 DBED C#CCO[C@H](C)C(=O)NC1CCN(CCn2cncn2)CC1 1227342323 MPGDFCMNDVPMAY-CYBMUJFWSA-N 305.382 -0.103 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)c2[nH]nnc2C)CC1 1228548587 BGTGOXFKKGIIBM-UHFFFAOYSA-N 304.354 -0.943 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CN1CCCC1 1230141441 LCBYTWIAGSSVHV-ZIAGYGMSSA-N 321.425 -0.261 30 20 DBED Cn1nc(C(=O)OCC(=O)NCC#N)c2ccccc2c1=O 1251719958 BOGYJHUJWDTZNF-UHFFFAOYSA-N 300.274 -0.270 30 20 DBED Cn1cc(CCCNC(=O)C(=O)N2CC[C@](F)(C#N)C2)cn1 1258040979 PHNIJVRMWXGNAV-AWEZNQCLSA-N 307.329 -0.067 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)NCCn1cccc1 1261104045 JJVFUMRBIXFNIS-UHFFFAOYSA-N 313.379 -0.679 30 20 DBED COCCN1CC[C@@H](NC(=O)C(=O)N2CCC[C@@](C)(C#N)C2)C1 1324420257 PRQMPHWRHMORBH-CJNGLKHVSA-N 322.409 -0.024 30 20 DBED CC(=O)NC[C@H]1CCCCN1C(=O)C(=O)N1CC[C@](F)(C#N)C1 1331473980 TZJNTSUHIVDDPN-DOMZBBRYSA-N 324.356 -0.032 30 20 DBED C#CC[C@@H](CO)NC(=O)NC1CCN(C(=O)CCOC)CC1 1332335797 BGIFTIKSOVXHAF-ZDUSSCGKSA-N 311.382 -0.303 30 20 DBED C#CCNC(=O)C1CCN(c2nnnn2C[C@@H](C)COC)CC1 1337108103 ZFYOURDHFZDTDU-GFCCVEGCSA-N 320.397 -0.079 30 20 DBED C=CCn1c(-c2cn(CCO)nn2)nnc1N1CCOCC1 1339137228 LULSUXYDLRESLM-UHFFFAOYSA-N 305.342 -0.449 30 20 DBED C=CCn1c(N(C)C[C@@H]2COCCO2)nnc1[C@@]1(O)CCOC1 1339245801 IKXJMCCAVOMUNL-IUODEOHRSA-N 324.381 -0.076 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)N2CCOC[C@H]2C2CC2)C1 1345974193 WPFCXWXWOHYUAH-WFASDCNBSA-N 307.350 -0.499 30 20 DBED C=CCN1CCC(NC(=O)C(=O)NCC[S@](C)=O)CC1 1346143875 SEGCSRLOCXAFKM-FQEVSTJZSA-N 301.412 -0.752 30 20 DBED CCN1C[C@H](CNC(=O)C(=O)Nc2ccc(C#N)cn2)CC1=O 1349574740 WXWPZCJLBFGYFJ-NSHDSACASA-N 315.333 -0.124 30 20 DBED COCC1(O)CCN(C(=O)C(=O)N2CCC[C@H](C#N)C2)CC1 1352954696 ZAFOKCMUVKCUSW-GFCCVEGCSA-N 309.366 -0.252 30 20 DBED C#CC[C@@H](CO)NC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C 1354149629 TXEPKLUDXBFKLM-UONOGXRCSA-N 324.425 -0.388 30 20 DBED C[C@H]1[C@@H](CO)CCCN1C(=O)CCn1cc(C#N)c(O)nc1=O 1362538693 RQIKBFUIHPHKEO-WDEREUQCSA-N 320.349 -0.170 30 20 DBED N#Cc1cccc([C@H]2CN(C(=O)Cn3nnc(N)n3)CCO2)c1 1362600057 GWCFALJCVSZOTF-GFCCVEGCSA-N 313.321 -0.273 30 20 DBED C[C@@H](C[S@](C)=O)NC(=O)CCn1cc(C#N)c(O)nc1=O 1362649052 KMHHGYLVEBBYEV-PPRQPISWSA-N 312.351 -0.906 30 20 DBED N#Cc1ccc(CN2CC(NC(=O)CCn3cnnn3)C2)s1 1366941296 QFYVYBZDUCNBRF-UHFFFAOYSA-N 317.378 -0.003 30 20 DBED CC[C@H](CNC(=O)c1cccn2nnnc12)NC(=O)[C@@H](C)C#N 1375095674 HTAJKOBUUQDSNO-VHSXEESVSA-N 315.337 -0.091 30 20 DBED Cc1nn(CC(=O)N(C)C[C@H](C)NC(=O)[C@H](C)C#N)c(=O)n1C 1395636919 IHFQZHHZNMALAA-ZJUUUORDSA-N 322.369 -0.987 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(CCNC(=O)c2ccn(C)n2)CC1 1396886589 KSLMUUWWZHYQIS-LBPRGKRZSA-N 318.381 -0.546 30 20 DBED CCNC(=O)NC(=O)CN[C@H]1C[C@@H](CNC(=O)[C@H](C)C#N)C1 1397054191 KQHDQXZFXSIHKP-MXWKQRLJSA-N 309.370 -0.524 30 20 DBED C=C(Cl)CN1CC[C@H](N(C)C(=O)CS(=O)(=O)NC)C1 1400743158 SUNHTNUNTOJKPQ-JTQLQIEISA-N 309.819 -0.179 30 20 DBED C=C(Br)CNC[C@H](O)CNC(=O)[C@H]1CCOC1 1401492132 MLGISCDEHFLDOM-UWVGGRQHSA-N 307.188 -0.002 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@](C)(NC(=O)CCn2ccnn2)C1 1410973222 HFZRTMMMZIZKHU-BXUZGUMPSA-N 304.354 -0.065 30 20 DBED N#Cc1cn(CC(=O)N2CC[C@@H](CCCO)C2)c(=O)nc1O 1417994717 QLSDJROUHXJKFH-SNVBAGLBSA-N 306.322 -0.558 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1cnn(C)c1Cl 1431571400 RYUFBHDECHWDMV-SFYZADRCSA-N 313.745 -0.560 30 20 DBED CS(=O)(=O)c1ccc(C(=O)NCCn2cnc(C#N)n2)cn1 1436179605 LMKPYGDJRMTPRE-UHFFFAOYSA-N 320.334 -0.622 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(CC1)CN(CC(=O)NC(N)=O)C2 1438616592 HXUUJBASODLMAL-JTQLQIEISA-N 307.354 -0.735 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H](C)CNC(=O)C(C)(C)S(C)(=O)=O 1442964440 RPBUZMBETROKLY-VHSXEESVSA-N 317.411 -0.068 30 20 DBED Cc1nc(CC(=O)N(C)C2CC(NC(=O)[C@@H](C)C#N)C2)n[nH]1 1445023143 NOUOICIBOPJDSY-PUSIOWJLSA-N 304.354 -0.079 30 20 DBED CCN(CCNC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)[C@@H](C)C#N 1449450026 RVGOAFOPAASACR-QWRGUYRKSA-N 315.395 -0.455 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@](C)(CNC(=O)Cn2cnnn2)C1 1454022478 PZWNDVJDBLCEGD-RISCZKNCSA-N 319.369 -0.422 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](C)CN(C)C(=O)CCNS(C)(=O)=O 1487801173 DHMPVYVKPYEACA-VHSXEESVSA-N 318.399 -0.952 30 20 DBED C[C@H](C#N)C(=O)N(C)C1CCN(Cc2nc(=O)n(C)[nH]2)CC1 1490402619 QFIKEJAAXHXWNM-SNVBAGLBSA-N 306.370 -0.309 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)COCc1cccnc1 1501591502 KJOMXXYHFBEKKS-WCQYABFASA-N 320.349 -0.649 30 20 DBED COCCC(=O)NCc1nc(O)cc(CNC(=O)[C@H](C)C#N)n1 1515365975 RLRXFPPZENEPMJ-SECBINFHSA-N 321.337 -0.389 30 20 DBED CCN(CCNC(=O)Cn1nnnc1C(C)C)C(=O)[C@@H](C)C#N 1528873221 LHKIURIACMMRPT-NSHDSACASA-N 321.385 -0.079 30 20 DBED CS(=O)(=O)CC1(C(=O)N2CCN(CCC#N)CC2)COC1 1548759739 UYAKAJFPLLSVSQ-UHFFFAOYSA-N 315.395 -0.895 30 20 DBED C[C@@]1(CNC(=O)CCn2cc(C#N)c(O)nc2=O)CCCNC1 1576509668 IGRONPSHTLBGJT-OAHLLOKOSA-N 319.365 -0.283 30 20 DBED N#C[C@H]1CSCCN1C(=O)C[C@@H]1CNCCS1(=O)=O 1580044918 MCOBNWFDUXBCOO-VHSXEESVSA-N 303.409 -0.769 30 20 DBED C#Cc1ccc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)O)cn1 1588432867 GDJXROATCHFPDB-NSHDSACASA-N 308.315 -0.613 30 20 DBED C=CCCS(=O)(=O)N(CCN1CCN(C)CC1)CC(=O)O 1588812832 AXXNOKRMYSWSNU-UHFFFAOYSA-N 319.427 -0.474 30 20 DBED C=CCCn1cc(C(=O)NS(=O)(=O)CCCC(=O)O)nn1 1588817733 SYPXETIMDQTVOH-UHFFFAOYSA-N 316.339 -0.221 30 20 DBED C[C@H](O)[C@@H]1CN(c2cnc(C#N)c(-c3nn[nH]n3)n2)CCO1 1589998022 ZKKCWDLSGNAYIS-CBAPKCEASA-N 302.298 -0.886 30 20 DBED CS(=O)(=O)CCCC(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[nH]1 1591674587 JZXHNBUENBDFQA-UHFFFAOYSA-N 324.326 -0.775 30 20 DBED N#CC[C@]1(O)CCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)o2)C1 1592674255 BXTBKHNSTJCALV-NSHDSACASA-N 324.322 -0.501 30 20 DBED N#Cc1cn(CC(=O)O)c(=O)n(CC(F)(F)C(F)F)c1=O 1594633088 MVRDBFNVSVNWFF-UHFFFAOYSA-N 309.175 -0.133 30 20 DBED C#CCN(CC(=O)O)C(=O)Cn1nnc2ccccc2c1=O 1602683365 BUNRFIRRJLWUOM-UHFFFAOYSA-N 300.274 -0.662 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](C)CN=c1cc[nH]cc1-c1nn[nH]n1 1602983434 ISQVFAWDXZQUDV-DTWKUNHWSA-N 300.326 -0.240 30 20 DBED N#Cc1nc(=N[C@H]2C[C@H](NC(=O)[C@H]3C[C@H]3C(=O)O)C2)cc[nH]1 1608225539 QODVIJAIUDNAHF-AATLWQCWSA-N 301.306 -0.450 30 20 DBED C#CCNC(=O)CNC[C@]1(C)CCN(C(=O)C[C@H]2CCOC2)C1 1671719812 OLFFHHFLIWWRFW-PBHICJAKSA-N 321.421 -0.009 30 20 DBED C#CCNC(=O)[C@@H](C)N(CC)CCCNC(=O)c1cnn[nH]1 1752195930 PUPGEUJXDKSUDK-LLVKDONJSA-N 306.370 -0.616 30 20 DBED COCC(=O)N[C@H](C(=O)N1CC[C@H](CNCC#N)C1)C(C)C 1752955482 HBKXSTPVRDYUJD-OCCSQVGLSA-N 310.398 -0.265 30 20 DBED C#CCNC(=O)CN(C)CCNC(=O)c1c2c(nn1C)CCC2 1753070767 NBEIKSRVOBCXPO-UHFFFAOYSA-N 317.393 -0.680 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@H]1CCN(Cc2nnnn2C)C1 1753122881 QFOHESFDIGRGKE-RISCZKNCSA-N 308.386 -0.525 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@H]1CN(C(=O)COCC1CC1)C2 1753306470 YKEAPCJRWBREFX-GJZGRUSLSA-N 319.405 -0.162 30 20 DBED C#CCNC(=O)[C@H](C)NCC[C@@H](C)NC(=O)c1[nH]c(O)nc1C 1753973606 UPJJZXIGXPLGFS-KOLCDFICSA-N 321.381 -0.340 30 20 DBED C#CCNC(=O)CNCCN(CC)C(=O)c1ccc(C#N)[nH]1 1754048802 LSUVYLZWVPVIEK-UHFFFAOYSA-N 301.350 -0.313 30 20 DBED C#CCNC(=O)[C@@H](C)NC/C=C/CNC(=O)C1=COCCO1 1754093353 VSWCWYLLSQOAFF-ZYOFXKKJSA-N 307.350 -0.726 30 20 DBED C=CCCC(=O)N[C@@H](C)CN(C)Cc1cc(=O)n(C)c(=O)n1C 1754306171 NGMTWLDYALPYRC-LBPRGKRZSA-N 322.409 -0.013 30 20 DBED C#CCNC[C@H]1CCCC[C@@H]1NC(=O)Cn1nc(C)n(C)c1=O 1754351130 KSVLNKMPSKZVDR-KGLIPLIRSA-N 319.409 -0.212 30 20 DBED C=CCOCCN1CC[C@](O)(CNC(=O)c2ccncn2)C1 1754759547 JEUGLGLWLVJJMW-HNNXBMFYSA-N 306.366 -0.154 30 20 DBED C#CCN1CCC(CO)(NC(=O)CCCCNC(N)=O)CC1 1755178917 WMXOUVPTGPDWBD-UHFFFAOYSA-N 310.398 -0.599 30 20 DBED C#CCNC(=O)CNCC1CC(NC(=O)c2cc(C)on2)C1 1755206242 NPMGCWYVGDEWMK-UHFFFAOYSA-N 304.350 -0.170 30 20 DBED C=C1CC(C)(C(=O)NC2(CCO)CN(CC(=O)NC(N)=O)C2)C1 1755336569 ZAKHKXCXNPOIKI-UHFFFAOYSA-N 324.381 -0.909 30 20 DBED CNC(=O)CN[C@@H](C)[C@H]1CN(C(=O)CSCC#N)CCO1 1755438351 JEOYTSQIQFIWTD-WDEREUQCSA-N 314.411 -0.805 30 20 DBED C#CCNC(=O)CN1CCCC2(C1)CN(C(=O)c1ncc[nH]1)C2 1755455169 CPVRIBQBACBIDD-UHFFFAOYSA-N 315.377 -0.303 30 20 DBED C=CCCN[C@@H](CO)CNC(=O)[C@H]1CCc2nnn(C)c2C1 1755637188 VKZMELPGVABQFA-NWDGAFQWSA-N 307.398 -0.437 30 20 DBED C#CCCN[C@H]1CCN(C(=O)CCS(=O)(=O)NC)[C@@H]1C 1755653178 FDNHILXVGUBJDQ-NEPJUHHUSA-N 301.412 -0.472 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)c2ccn(C)n2)[C@@H]1C 1755666605 GLRPEVCWUGNIHM-VXGBXAGGSA-N 305.382 -0.085 30 20 DBED CN(C(=O)CC1(O)CCC1)C1CC(NCC(=O)NCC#N)C1 1755856740 KPKPPDWMRVYHQZ-UHFFFAOYSA-N 308.382 -0.490 30 20 DBED C=CCOCC(=O)NC1CC(CNC(=O)c2cnn(C)n2)C1 1755931041 IGBYOWXUPUEATE-UHFFFAOYSA-N 307.354 -0.358 30 20 DBED C=CCO[C@H](C)C(=O)NCC1CC(NC(=O)C2(C(N)=O)CC2)C1 1755942982 RXGMSHOQILFUNH-VOMCLLRMSA-N 323.393 -0.146 30 20 DBED Cn1ncc(C(=O)O)c1/C=C\C(=O)c1cnc(O)n(C)c1=O 1777563960 PPDDEYUGUJTFPL-ARJAWSKDSA-N 304.262 -0.186 30 20 DBED COCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)S)C2)C1 1783890034 NSTVBDPKPKCCDK-ZWNOBZJWSA-N 302.396 -0.219 30 20 DBED C=CCC(=O)N1CC2(CCCN2C(=O)CC[C@H](N)C(N)=O)C1 1842947633 NHJSZIFWTSIHOR-NSHDSACASA-N 308.382 -0.641 30 20 DBED C#CCNS(=O)(=O)c1ccc(C(=O)Nc2nncn2C)cc1 163032806 LOQWOKMRGUDVEA-UHFFFAOYSA-N 319.346 -0.021 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(c2ncccc2C(N)=O)CC1 263790518 HOXNGRYJJBFMKX-GFCCVEGCSA-N 315.377 -0.560 30 20 DBED C#CCN(C(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1)C1CC1 274091372 NGDOBWAZLASWQD-UHFFFAOYSA-N 324.362 -0.984 30 20 DBED C#CC[C@H](NS(=O)(=O)c1cc(C(=O)OC)co1)C(=O)O 275068761 WEAGPQISOKWHLB-QMMMGPOBSA-N 301.276 -0.179 30 20 DBED C#CCN(CC#N)C(=O)[C@@H]1CC[C@@H](C(=O)N(CC#C)CC#N)O1 281936376 INLDLIALWFWKPI-KBPBESRZSA-N 312.329 -0.495 30 20 DBED CCN(C/C(O)=N/[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)C1CC1 329597213 CLKBTFIYYSXPBG-SECBINFHSA-N 324.424 -0.056 30 20 DBED CO[C@]1(/C(O)=N/C[C@](C)(O)CN2CCOCC2)CCOC1 330016124 PBONXJZDEMCBMH-UONOGXRCSA-N 302.371 -0.168 30 20 DBED CCS(=O)(=O)C[C@@H](C)N/C(O)=N/CC(=O)N1CCCC1 330766500 VFFCHJIBFKKGQP-SNVBAGLBSA-N 305.400 -0.064 30 20 DBED COC(=O)C[C@@H]1CN(S(=O)(=O)N(C)C[C@H](C)C#N)CCO1 336937881 HBRNRQFMXUSWJD-GHMZBOCLSA-N 319.383 -0.413 30 20 DBED CCN(C)C(=O)[C@H]1CSCN1S(=O)(=O)N(C)CCC#N 338729681 WTNYGRUMNXUXTP-SNVBAGLBSA-N 320.440 -0.070 30 20 DBED C[C@@H]1C[C@@H](CO)CCN1S(=O)(=O)N1CCO[C@H](C#N)C1 341958589 PMAUAOLHTHZGJD-GRYCIOLGSA-N 303.384 -0.452 30 20 DBED N#CCNC(=O)CNC(=O)CCn1cnc2ccccc2c1=O 343538544 IZBDBJKRYZRJON-UHFFFAOYSA-N 313.317 -0.457 30 20 DBED C=CCN1CCC(NC(=O)C(=O)NCC(C)(C)C(=O)NC)CC1 343761779 HYMDIKVGGPCPML-UHFFFAOYSA-N 324.425 -0.359 30 20 DBED COCCN1CC[C@H](NS(=O)(=O)c2cncc(C#N)c2)C1 352177016 XFCYCSSXUJHTTC-LBPRGKRZSA-N 310.379 -0.048 30 20 DBED CCN(CCC#N)S(=O)(=O)N[C@@H](CCOC)C(=O)OC 352560114 NJGIYUAYLXIVPT-JTQLQIEISA-N 307.372 -0.366 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)C[C@@H](C)C(=O)OC)CC1 354599513 KZEPEENAPHLAGF-GFCCVEGCSA-N 311.382 -0.368 30 20 DBED C=CCN(CCOC)C(=O)CN1CCN(S(C)(=O)=O)CC1 361090949 HVDNRNVKUMDRSQ-UHFFFAOYSA-N 319.427 -0.775 30 20 DBED N#Cc1ccc(OC2CN(C(=O)C(=O)NCCC(=O)O)C2)cc1 420602529 RYVCSMKCJVNPEE-UHFFFAOYSA-N 317.301 -0.261 30 20 DBED CN(C)CCCN(CCC#N)C(=O)CN1CCN(C)C(=O)C1 436316486 WZRGVCBYZOJQPB-UHFFFAOYSA-N 309.414 -0.546 30 20 DBED CN(CCN1CCCC1)C(=O)C(=O)Nc1ccn(CCC#N)n1 439213913 SGFZDKONJQULFW-UHFFFAOYSA-N 318.381 0.289 30 20 DBED CCOC(=O)[C@@](C)(O)CNC(=O)C(=O)Nc1cccc(C#N)c1 441348813 CYXGQCIVSHCRKJ-HNNXBMFYSA-N 319.317 -0.073 30 20 DBED CC(C)O[C@@H]1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)C1 564909064 ZSRICVILPDSOMD-VXGBXAGGSA-N 303.384 -0.045 30 20 DBED CCn1cc(C#N)c(=O)n(CC(=O)C2(C(=O)OC)CC2)c1=O 594442787 JZTBNUMBBPPWIL-UHFFFAOYSA-N 305.290 -0.576 30 20 DBED N#Cc1ccc(N2CCN(C(=O)C3CS(=O)(=O)C3)CC2)nc1 601008243 JAYOEGNNSTXHOY-UHFFFAOYSA-N 320.374 -0.354 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)[C@H](C)NS(=O)(=O)CC)C1=O 614395068 XORYRMKSBPPAKW-QWRGUYRKSA-N 317.411 -0.441 30 20 DBED C#CCCCS(=O)(=O)NCC1CCN(S(C)(=O)=O)CC1 710278627 YWNKCCVUXJXPFJ-UHFFFAOYSA-N 322.452 -0.009 30 20 DBED COc1ccc(C(N)=NOCC(=O)N[C@H](C)C(=O)N(C)C)cc1 762692221 PRZQIXICYJPXJS-SNVBAGLBSA-N 322.365 -0.075 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N[C@@H]1CCN(CCOC)C1 783003129 AOGXPSVGAQPRSO-GFCCVEGCSA-N 319.427 -0.393 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@H](C)Cn1ccnc1)[C@@H]1CCCO1 789753253 LHJIURPIECCUES-AGIUHOORSA-N 304.350 -0.315 30 20 DBED C=CCN1CC[C@H](N(C)S(=O)(=O)CCS(C)(=O)=O)C1=O 798466574 XNZVVODGIJXOSQ-JTQLQIEISA-N 324.424 -0.921 30 20 DBED O=S1(=O)CC[C@@H](NN=Cc2ccccc2-c2nn[nH]n2)C1 826496885 MQMHFVPFBYVNJB-SNVBAGLBSA-N 306.351 -0.023 30 20 DBED Cc1csc2ncc(C(=O)N[C@H]3CNC[C@@H]3C#N)c(=O)n12 834483826 ADPWPTXASOINLR-WPRPVWTQSA-N 303.347 -0.094 30 20 DBED N#C[C@H]1CNC[C@H]1NC(=O)CNS(=O)(=O)c1cccs1 834499271 GQNHZHNKPDNKLE-DTWKUNHWSA-N 314.392 -0.746 30 20 DBED CC1=C(C(=O)N[C@@H]2CNC[C@@H]2C#N)[C@H](C)n2ncnc2N1C 843460334 NSMBRYZURMXNIW-GARJFASQSA-N 301.354 -0.209 30 20 DBED CNS(=O)(=O)N1CCN(C(=O)C#Cc2cccs2)CC1 846081309 SDCDXYJGDABZGC-UHFFFAOYSA-N 313.404 -0.292 30 20 DBED C#CC[C@H](CCOC)NC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1OC 859018468 VOPHGIKDYNMTNP-UTUOFQBUSA-N 318.395 -0.474 30 20 DBED C#CCNC(=O)CCN1CCC(NS(=O)(=O)CC)CC1 903009158 DMQDTBXKLHTTTB-UHFFFAOYSA-N 301.412 -0.470 30 20 DBED O=C(NCC#CCO)N[C@@H]1CCCN(Cc2ccccn2)C1=O 923772546 BYMLBBPBTMJJFU-CQSZACIVSA-N 316.361 -0.133 30 20 DBED O=C(N[C@@H]1CCN(C(=O)C#CC2CC2)C1)[C@H]1CCCS1(=O)=O 940787756 MHNAELNHIIANCT-CHWSQXEVSA-N 324.402 -0.306 30 20 DBED COc1cc(C(=O)N[C@@H]2CCN(C(=O)[C@H](C)C#N)C2)nn1C 941816280 GFTOLAKIOUATKB-NXEZZACHSA-N 305.338 -0.081 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CCN(C(=O)C(N)=O)CC1 953974083 NPUCJBIWLRHZCY-STQMWFEESA-N 323.393 -0.098 30 20 DBED C=C(C)CN1C[C@@H](O)[C@@H](CNC(=O)c2cnc3[nH]nnc3c2)C1 958149111 NTOYIRFOBCSWLX-WCQYABFASA-N 316.365 -0.049 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cc2ccn(C)n2)C1 958844271 JCOAGTNDLHPULV-DRZSPHRISA-N 319.365 -0.848 30 20 DBED Cc1c[nH]c(C(=O)N2CCO[C@@H]3CN(C(=O)[C@H](C)C#N)C[C@@H]32)n1 960440800 XAKBIRDGQVAPAI-ADEWGFFLSA-N 317.349 -0.070 30 20 DBED C=CCN1C[C@@H]2C(NC(=O)[C@@H]3Cc4cncn4C(=O)N3)[C@H]2C1 961314367 QECRNKFVPKOOJX-SRVKXCTJSA-N 301.350 -0.402 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CN(C(=O)[C@]3(C)CCC(=O)N3)C[C@H]2C1 962261154 SLXIMDQOOBPNGJ-YMEQNVIZSA-N 318.377 -0.268 30 20 DBED C=CCCn1cc(C(=O)N2CCOC[C@H]2CNC(C)=O)nn1 964041578 NFRGUXIWVBDXEX-GFCCVEGCSA-N 307.354 -0.169 30 20 DBED C=CCNC1CC2(C1)CC(NC(=O)[C@@H]1CCS(=O)(=O)N1)C2 965925614 OABZNLPLWVAXPY-VPTICVGPSA-N 313.423 -0.119 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@@H](N[C@H]3CCC(=O)NC3=O)C2)c1 968344679 VLBKWNRTYQNLEA-MNOVXSKESA-N 315.333 -0.504 30 20 DBED N#Cc1ccccc1CN[C@@H]1CCN(C(=O)Cn2ncnn2)C1 968683580 ROBWSIYKYVWZQX-CQSZACIVSA-N 311.349 -0.065 30 20 DBED CN1C(=O)CN(CC(=O)N[C@@H]2CCC[C@H](NCC#N)C2)C1=O 981456714 KWGTZODIYPFKHA-WDEREUQCSA-N 307.354 -0.579 30 20 DBED Cc1nc(O)nc(O)c1CC(=O)N1CC[C@H](NCC#N)[C@@H]1C 987236996 MKFUSEQJVBZGML-ONGXEEELSA-N 305.338 -0.159 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)CN2CCOCC2)[C@H]1C 987632398 UTZWAOYXDZAUHG-XQQFMLRXSA-N 308.382 -0.416 30 20 DBED C=CCn1cc(C(=O)N2C[C@@H](NCC(N)=O)C(C)(C)C2)nn1 996389080 MLFUMCLYUWJJOM-LLVKDONJSA-N 306.370 -0.610 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)C(C)(C)C(N)=O)C2)nc1 997094435 YLAZDPTWSGJNSJ-UHFFFAOYSA-N 314.345 -0.485 30 20 DBED CC1(C)C(=O)NC(=O)N1CC(=O)N1CCC(NCC#N)CC1 997154876 ZVFHRMIWNSIWGM-UHFFFAOYSA-N 307.354 -0.579 30 20 DBED C#CCN[C@H]1CN(C(=O)Cn2ncnn2)CC[C@@H]1C(F)(F)F 998262648 QLXXZFNAEJBYAM-UWVGGRQHSA-N 316.287 -0.325 30 20 DBED N#Cc1cc(C(=O)N2CCC[C@@H](N[C@@H]3CCNC3=O)C2)c[nH]1 998967969 DVLDQUVTHRFJEP-DGCLKSJQSA-N 301.350 -0.031 30 20 DBED C=C1CC(C)(C(=O)NC2CN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C2)C1 999292707 HJUKIYGWGWLQBG-JTQLQIEISA-N 320.349 -0.732 30 20 DBED C#CCN1CCC(N(C)C(=O)Cn2ccc(O)nc2=O)CC1 1005674730 AKMXSFGRZCWAIX-UHFFFAOYSA-N 304.350 -0.495 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCCN(CC(=O)N(C)C)C1 1007519242 MQWODGXINIUZJB-CABCVRRESA-N 320.437 -0.247 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](NC(=O)Cn2nccn2)C(C)(C)C1 1008188404 ISHJHTVDYUQWSC-WDEREUQCSA-N 304.354 -0.209 30 20 DBED Cc1nonc1C(=O)NCC1[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]12 1009203323 FEHHDWLWQFGDHS-SWPVVBRQSA-N 303.322 -0.028 30 20 DBED C=CCCN1CC[C@H](NC(=O)c2c[nH]nc2S(N)(=O)=O)C1 1015681514 KFOCBWGFYVIGIN-VIFPVBQESA-N 313.383 -0.563 30 20 DBED C#CCN1CCC(C(=O)N[C@H]2CCN([C@H](C)C(=O)NC)C2)CC1 1016336614 MQUMGTKHSKRQBL-HIFRSBDPSA-N 320.437 -0.343 30 20 DBED N#CCN1[C@H]2CC[C@H]1CC(NC(=O)Cn1c(O)nnc1O)C2 1021447584 RSOKSXXYSDSZDA-UWVGGRQHSA-N 306.326 -0.676 30 20 DBED CC#CCN1CCC[C@H]1CNC(=O)[C@@H]1Cc2cncn2C(=O)N1 1028043245 JWCHZMKBAZQWEI-JSGCOSHPSA-N 315.377 -0.031 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)[C@H](C)n3cncn3)C2)C1=O 1030233413 FJXPDFNYFUSOMQ-WCQYABFASA-N 318.381 -0.574 30 20 DBED C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)CN1CCC(=O)NC1=O 1032717777 RXUZNCNHRMCFSU-RYUDHWBXSA-N 306.366 -0.211 30 20 DBED C#CCCN1CCO[C@H](CNC(=O)[C@@H]2CCc3nncn3C2)C1 1035610660 ZNQHFDJJLRNHAM-ZIAGYGMSSA-N 317.393 -0.319 30 20 DBED C#CCCN1CCO[C@@H](CNC(=O)c2ccc(C(N)=O)nc2)C1 1035623108 WXYICYHAUHHKOA-ZDUSSCGKSA-N 316.361 -0.366 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)CC[C@@H]1NCc1nnn(C)n1 1036024406 XFJRISJGDCDYCR-YPMHNXCESA-N 302.382 -0.050 30 20 DBED N#CCN1[C@H]2CCC[C@H]1CN(C(=O)CC[C@H]1NC(=O)NC1=O)C2 1039995703 RRYLGKPIDIJIMC-SDDRHHMPSA-N 319.365 -0.437 30 20 DBED N#Cc1cnc(N2C[C@@H]3CCN(C(=O)CC(N)=O)[C@@H]3C2)cn1 1040549622 GUSPFVGCAZDSGW-GXSJLCMTSA-N 300.322 -0.739 30 20 DBED C[C@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)CCCCN(C)C)C1 1040758875 CFRHNWIWKZMFSF-CJNGLKHVSA-N 324.425 -0.042 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)CN2CCCNC2=O)C1 1041956369 IGJKMRFABHBMGH-UHFFFAOYSA-N 324.381 -0.943 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(O)CN(C(=O)[C@@H](C)OC)C1 1042807746 YHONCMGEVZKUNN-ZWNOBZJWSA-N 300.355 -0.962 30 20 DBED CC(C)N1CCC[C@@H]1C(=O)NCC1(O)CN(C(=O)[C@@H](C)C#N)C1 1043043342 IPQVORYMIWHEDY-QWHCGFSZSA-N 322.409 -0.292 30 20 DBED C[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1N=c1cc[nH]cc1C#N 1043471523 BNISBBADTHJSBI-ZWNOBZJWSA-N 313.361 -0.101 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H](C)CO2)C1 1044558368 URFWDGIZGODELE-STQMWFEESA-N 308.378 -0.240 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H](C)CO2)C1 1044573309 ZZRWMBASSAAFKZ-STQMWFEESA-N 324.377 -0.859 30 20 DBED C=C[C@@H](CC)CC(=O)NCC1(O)CN(C(=O)C2(C(N)=O)CC2)C1 1045069395 UKINMZCJPYDZBN-NSHDSACASA-N 323.393 -0.456 30 20 DBED C=CCN1CCC(C)(NC(=O)c2cn(C)c(=O)n(C)c2=O)CC1 1045576657 VHYKVGUFJNUGAE-UHFFFAOYSA-N 320.393 -0.146 30 20 DBED N#Cc1cncc(N[C@H]2C[C@@H](CNC(=O)[C@H]3CNC(=O)N3)C2)n1 1046562182 KXVGNZSQGZGOOZ-WCABBAIRSA-N 315.337 -0.664 30 20 DBED N#Cc1ccc(N[C@H]2C[C@H](CNC(=O)[C@@H]3CCNC3=O)C2)nn1 1046982746 QZHKSAZHTHNRHN-YUSALJHKSA-N 314.349 -0.209 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3nc(C)nn3C2)C1 1047468746 TYFRDJKXEDBISG-IHRRRGAJSA-N 319.409 -0.162 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cccnc2C(N)=O)C1 1047635217 CTYROYMISBVELM-RYUDHWBXSA-N 304.350 -0.516 30 20 DBED CN(C(=O)C#CC1CC1)[C@H]1CN(C(=O)CCCC(N)=O)C[C@@H]1O 1048828265 JYZLMXLMQYVYDN-STQMWFEESA-N 321.377 -0.915 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H]2[C@H]1CCN2Cc1nc(=O)n(C)[nH]1 1049381713 LMLFMEIGGRAVMQ-GRYCIOLGSA-N 318.381 -0.167 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)CN2CCCC2)C[C@@H]1O 1049402799 YHNCNUSAMIXXBP-AVGNSLFASA-N 308.382 -0.728 30 20 DBED N#Cc1nc(=N[C@@H]2CCCCCN(C(=O)C(N)=O)C2)cc[nH]1 1049957007 URFCQPDLSNVVFU-SNVBAGLBSA-N 302.338 -0.561 30 20 DBED C=CCN1CCC2(CC1)CN(C(=O)Cn1cnc(C(N)=O)n1)C2 1050524601 HSOMRHAXQSRCLQ-UHFFFAOYSA-N 318.381 -0.513 30 20 DBED C[C@H](NC(=O)C#CC1CC1)[C@@H]1CCN(C(=O)Cn2ncnn2)C1 1050810014 WXDVBTPWFAOSLY-WCQYABFASA-N 316.365 -0.560 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)c1ccc2nnc(O)n2c1 1051162794 XSVSTXLVTVLHAS-LBPRGKRZSA-N 315.333 -0.501 30 20 DBED Cn1ccc(C(=O)N2CC[C@H](N3CCN(CC#N)CC3)C2)n1 1052118697 UQNWRFRMPVWJAE-ZDUSSCGKSA-N 302.382 -0.224 30 20 DBED N#CCN1CC2(C1)CN(C(=O)[C@@H]1CN3CCC[C@@H]3CO1)CCO2 1053262842 FCZQKSBKOMBTIF-KGLIPLIRSA-N 320.393 -0.714 30 20 DBED C=CCCN1CC2(C[C@H](NC(=O)C3CS(=O)(=O)C3)CO2)C1 1053814184 IPAQZKWHVWDUGM-LBPRGKRZSA-N 314.407 -0.433 30 20 DBED C=CCN1CC2(C[C@H](NC(=O)C3CC(=O)NC(=O)C3)CO2)C1 1053955218 FHPJNIPYVWHAFD-NSHDSACASA-N 307.350 -0.815 30 20 DBED N#Cc1nc(=N[C@H]2C[C@H]3C[C@@H](C2)N(C(=O)c2nc[nH]n2)C3)cc[nH]1 1054827610 PQPCHYNULCOODJ-DCAQKATOSA-N 324.348 -0.007 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@@H]2CN(C(=O)[C@H]3CCOC3)C[C@@H]2C1 1055217345 DOPBLIHCJNAFLK-BARDWOONSA-N 320.389 -0.022 30 20 DBED CCNC(=O)CCC(=O)N1C[C@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2C1 1055244141 MAZXCOVLZXBAJX-RWMBFGLXSA-N 320.393 -0.021 30 20 DBED N#Cc1nccc(N2CCN(C(=O)c3nccnc3N)CC2)n1 1055753262 FWFBLXYDWWVHJO-UHFFFAOYSA-N 310.321 -0.317 30 20 DBED Cn1cc(C(=O)NC2[C@H]3CN(c4ccncc4C#N)C[C@H]23)nn1 1056199205 UHCGNNKCZDPBIP-QWRGUYRKSA-N 309.333 -0.054 30 20 DBED N#Cc1nccnc1N1C[C@H]2[C@H](NC(=O)[C@@H]3CCC(=O)N3)[C@H]2C1 1056261773 HAKVFCKVOZGUES-MPXOCVNLSA-N 312.333 -0.822 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)[C@H]1CCCN1C 1057209227 LKZKWJCMAZIVHU-CYBMUJFWSA-N 313.398 -0.780 30 20 DBED CO[C@H](C)C(=O)NCCN(CCO)C(=O)c1ccc(C#N)[nH]1 1057367412 YSZZACKNTXSFBE-SNVBAGLBSA-N 308.338 -0.528 30 20 DBED N#Cc1cnc(N[C@H]2CCCN(C(=O)[C@H]3CNC(=O)N3)C2)cn1 1057749102 PWMGGGMSSUKVOZ-GXSJLCMTSA-N 315.337 -0.567 30 20 DBED N#Cc1ccc(N2CCC[C@H](NC(=O)Cn3cncn3)C2)nn1 1058160283 OOIIBCIGWVZHLU-LBPRGKRZSA-N 312.337 -0.275 30 20 DBED CN1CCO[C@H](C(=O)N[C@@H]2CCN(c3ccnc(C#N)n3)C2)C1 1058317334 UNYAISMDZBGPHE-NEPJUHHUSA-N 316.365 -0.626 30 20 DBED N#Cc1cnccc1N1CC[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 1058531560 SMKOBTDTNBQAAT-WDEREUQCSA-N 300.322 -0.670 30 20 DBED COCCCOCC(=O)NCCN(CCO)C(=O)[C@@H](C)C#N 1058657297 VMCQSVZGOQWZBV-LBPRGKRZSA-N 315.370 -0.864 30 20 DBED N#Cc1nccc(N2CCC[C@@H]2CNC(=O)[C@H]2CCNC2=O)n1 1061422609 MHKCZTNWUDUEHU-MNOVXSKESA-N 314.349 -0.431 30 20 DBED COCCOCC(=O)NC[C@@H]1COCCN1C(=O)[C@@H](C)C#N 1061436599 HNLWFTWJKLICLE-NWDGAFQWSA-N 313.354 -0.847 30 20 DBED C=C(C)CCC(=O)N1CCOC[C@H]1CNC(=O)CC(=O)NC 1061530696 UQKGDIMKZLOKBW-GFCCVEGCSA-N 311.382 -0.178 30 20 DBED N#Cc1c[nH]c(C(=O)N2CCCC[C@@H]2CNC(=O)CC(N)=O)c1 1062101884 FGIRCGSKGFLBJU-LLVKDONJSA-N 317.349 -0.127 30 20 DBED Cc1cc(C#N)nc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)c2nc[nH]n2)n1 1064284125 AWZWMFDLRHPCIP-MIMYLULJSA-N 310.321 -0.218 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@H]1CN(C(=O)c2ccon2)CCO1 1064911143 CLSCMVZWAGAKEJ-ABAIWWIYSA-N 323.349 -0.041 30 20 DBED C=CCCC(=O)N1CCO[C@H](CNC(=O)[C@H]2CCC(=O)N2C)C1 1064959077 GNDOVQYTSROPAL-CHWSQXEVSA-N 323.393 -0.083 30 20 DBED C=CCOCC(=O)N1CCO[C@H](CNC(=O)c2cccnn2)C1 1064972397 WJJSSZGPDNXPOP-GFCCVEGCSA-N 320.349 -0.364 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCO[C@H](CNC(=O)c2cnco2)C1 1065153440 WESYYTYMWFDMEW-NWDGAFQWSA-N 321.333 -0.330 30 20 DBED C=CCO[C@H](C)C(=O)N1CCO[C@H](CNC(=O)COCC)C1 1065279035 SNHUSAPMBOCBDD-CHWSQXEVSA-N 314.382 -0.042 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@H](NC(=O)C(F)F)CC1 1065720521 KFOZBVGFQCHEMB-JTQLQIEISA-N 315.320 -0.112 30 20 DBED C=CCCC(=O)N(C)CCCN(C)C(=O)CN1C(=O)CNC1=O 1066986330 AETJRZFPHCSWJI-UHFFFAOYSA-N 324.381 -0.189 30 20 DBED Cc1nc(N[C@H](C)[C@H]2CN(C(=O)C(N)=O)CCO2)ccc1C#N 1068244388 VKXGZIXCENNECC-ZYHUDNBSSA-N 317.349 -0.225 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CN(C(=O)CCCC(N)=O)CCO2)C1 1068409432 GPRUGNDSNBPGMB-LLVKDONJSA-N 322.365 -0.759 30 20 DBED CCNC(=O)CC(=O)N[C@@H]1COC2(C1)CN(C(=O)[C@@H](C)C#N)C2 1068820860 FHELIDXUSSPJAI-QWRGUYRKSA-N 322.365 -0.842 30 20 DBED C=CCCN1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)C(N)=O)n1 1070597914 BQZZUIAVPMFRBT-RYUDHWBXSA-N 321.381 -0.028 30 20 DBED C=CCOCC(=O)N[C@@H]1CCCN(C(=O)C(=O)NCC2CC2)C1 1071190916 TXJFJTCSQKXFAB-CYBMUJFWSA-N 323.393 -0.178 30 20 DBED C#CCCN1C[C@@H](NC(=O)Cn2ccc(O)nc2=O)CC[C@@H]1C 1071660662 ZTJUELBIPTZRFJ-STQMWFEESA-N 318.377 -0.059 30 20 DBED CCC(=O)NCC(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C 1072049756 WFNDJTIEEDZBOM-DGCLKSJQSA-N 305.378 -0.111 30 20 DBED C#CCOCCC(=O)NCC1(O)CCN(C(=O)C(F)F)CC1 1074394108 YZOQYJFKHONZMK-UHFFFAOYSA-N 318.320 -0.239 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)c2cc(C(N)=O)co2)C1 1077657544 HRQMEQFWBQIYMU-NXEZZACHSA-N 313.741 -0.094 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)c2cnn3ccc(C)nc23)C1 1078020588 UXTKROQGUCPHND-ZIAGYGMSSA-N 313.361 -0.164 30 20 DBED CC(=O)Nc1cccc(C(=O)N[C@@H]2CN(CC#N)C[C@H]2O)c1 1078169030 ZKKXQAYCVSMYFF-ZIAGYGMSSA-N 302.334 -0.057 30 20 DBED C#CCNC(=O)CC(=O)N1CC(N(CC)C(=O)c2cn[nH]c2)C1 1079373630 IQBGXUZQFDSSMW-UHFFFAOYSA-N 317.349 -0.778 30 20 DBED C=CCCC(=O)N(CC)C1CN(C(=O)CS(=O)(=O)NC)C1 1079474272 VAEGCVDGPWTERM-UHFFFAOYSA-N 317.411 -0.439 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(N(CC)C(=O)CC(=O)NC)C1 1079659558 ZYGGDCOQULCMNK-OAHLLOKOSA-N 311.382 -0.491 30 20 DBED C=CCOCC(=O)NC1(CO)CCN(C(=O)c2cc[nH]n2)CC1 1080773868 YVLBHGBPQYSCMV-UHFFFAOYSA-N 322.365 -0.304 30 20 DBED COCC(=O)NC[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1O 1081179598 ZXOMDDLECIXINK-JQWIXIFHSA-N 306.322 -0.918 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)CNC(=O)CC)C[C@@H]1O 1081442911 ZUQXIAAZBYFCJQ-OLZOCXBDSA-N 323.393 -0.748 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)Cn2cncn2)C[C@@H]1O 1081444758 MQRMQLQJCHKWGG-STQMWFEESA-N 319.365 -0.983 30 20 DBED Cn1ccc(C(=O)N2C[C@H](CNC(=O)C#CC3CC3)[C@@H](O)C2)n1 1081473735 KESMAKIEFDQDMU-JSGCOSHPSA-N 316.361 -0.617 30 20 DBED Cc1nc[nH]c1C(=O)NC[C@@H]1CN(C(=O)C#CC(C)C)C[C@H]1O 1081591668 BNBFODXNORENKP-CHWSQXEVSA-N 318.377 -0.073 30 20 DBED C[C@@H]1[C@@H](NC(=O)[C@H]2CCN(C)S2(=O)=O)CCN1CC#N 1088913823 RGMVTGMNVHUGHY-OUAUKWLOSA-N 300.384 -0.877 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2cnn3ccncc23)[C@H](O)C1 1090328293 ZWMNCOYQJRDSNR-DZGCQCFKSA-N 313.361 -0.082 30 20 DBED COC(=O)NCC(=O)N1C[C@@H](Nc2nccnc2C#N)[C@H](C)C1 1090961745 ODANUAGFLKKHMJ-MWLCHTKSSA-N 318.337 -0.037 30 20 DBED Cc1cc(C#N)nc(N2C[C@H](O)[C@H](NC(=O)COC(C)C)C2)n1 1091078239 ZKNBUTOFVKTUCX-OLZOCXBDSA-N 319.365 -0.253 30 20 DBED CC[C@@H]1[C@@H](NC(=O)CC(N)=O)CCN1c1ccnc(C#N)n1 1091763547 FVGRJIAPVAUKFT-VHSXEESVSA-N 302.338 -0.303 30 20 DBED C#CCOCCC(=O)N[C@H]1CCN(c2ccc(C)nn2)C[C@H]1O 1092164924 QOQUCBFIUUTHNN-UONOGXRCSA-N 318.377 -0.119 30 20 DBED Cc1ccnc2nc(C(=O)NCCN=c3cc[nH]c(C#N)n3)nn12 1093611106 HXOFGQQEIGTOAT-UHFFFAOYSA-N 323.320 -0.642 30 20 DBED CCC[C@@H](NC(N)=O)C(=O)NCCNc1nccnc1C#N 1093775717 FKNAZFXDUDCTLB-SECBINFHSA-N 305.342 -0.287 30 20 DBED Cn1oc(C(=O)NCCCN=c2cc[nH]cc2C#N)cc1=O 1094410404 WULPNGRVVITQNM-UHFFFAOYSA-N 301.306 -0.101 30 20 DBED CC[C@@H]1C[C@H]1C(=O)N1CCN(CC#N)[C@H]2CS(=O)(=O)C[C@H]21 1094662308 MIYZSEQBIARYEK-FVCCEPFGSA-N 311.407 -0.134 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)Cc3cncn3C)CC2=O)C1 1094807890 GNZAYKNNZZNUSR-LBPRGKRZSA-N 317.393 -0.450 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)c3ccn(C)n3)CC2=O)C1 1094814649 HQVPMHFBSBIAKE-NSHDSACASA-N 301.350 -0.932 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](Nc2nccn3nnnc23)C1 1095063950 IMCNEFZXALEIFA-LLVKDONJSA-N 315.337 -0.428 30 20 DBED C#CCNC(=O)CC(=O)N1CCCN(c2ccnc(C)n2)CC1 1095175516 FBXLUULETBPIRP-UHFFFAOYSA-N 315.377 -0.037 30 20 DBED CCc1nc(C#N)cc(N2CCC[C@@H](NC(=O)CC(N)=O)C2)n1 1096144100 IIDFHXSPTDCQAN-SNVBAGLBSA-N 316.365 -0.129 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1C[C@H](Nc2nccnc2C#N)C1 1097014868 GDVJFUCMVAMZJI-XYPYZODXSA-N 312.333 -0.453 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CN(C)CCO1)Nc1cncc(C#N)n1 1097769017 XTQJHTRPENCETD-JQWIXIFHSA-N 304.354 -0.405 30 20 DBED C[C@H](CNC(=O)[C@H]1CN(C)C[C@@H](C)O1)Nc1cncc(C#N)n1 1098366834 ZXBNSEISYPSWKH-NQBHXWOUSA-N 318.381 -0.016 30 20 DBED C#CCN(CCO)C1CCN(C(=O)CCCCNC(N)=O)CC1 1098419723 HRJHGQXGQYPLKI-UHFFFAOYSA-N 324.425 -0.257 30 20 DBED CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)CN2C(=O)CNC2=O)C1 1099152582 NURBCENZJLHWET-LRDDRELGSA-N 318.377 -0.468 30 20 DBED N#CCNC(=O)CN1CC[C@@H](NC(=O)CCC(F)F)[C@@H](O)C1 1099919181 XUNMXJXQLXNAPG-ZJUUUORDSA-N 318.324 -0.777 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)CCc2cn[nH]c2)[C@H](O)C1 1100032662 ZJARAECDSSQDEV-HUUCEWRRSA-N 320.393 -0.457 30 20 DBED C=CCNC(=O)CNC1CC(CNC(=O)C[C@H]2COC(=O)C2)C1 1100247508 HDTHMUUZJCLNNI-OTTFEQOBSA-N 323.393 -0.274 30 20 DBED CN(CCNC(=O)C[C@H]1CCC(=O)N1C)c1cncc(C#N)n1 1100254015 CYBCSPWQKFKGAA-GFCCVEGCSA-N 316.365 -0.088 30 20 DBED N#Cc1cc(C(=O)NCC2CC(NCCOCCO)C2)c[nH]1 1100254567 BSXRMFNQAVFNJG-UHFFFAOYSA-N 306.366 -0.007 30 20 DBED C#CCCNC1CC(CNC(=O)Cn2ccc(=O)n(C)c2=O)C1 1100382071 DVASOKDRPFWQGJ-UHFFFAOYSA-N 318.377 -0.945 30 20 DBED CCN(CCNC(=O)[C@@H]1CC[C@@H]1C(N)=O)c1nccnc1C#N 1100695683 ZIQRCNYTTDSRRK-WDEREUQCSA-N 316.365 -0.198 30 20 DBED Cc1conc1C(=O)NCC1CC(NCC(=O)NCC#N)C1 1100829461 VNPWNVGJDGFDGC-UHFFFAOYSA-N 305.338 -0.279 30 20 DBED COCC#CCNC1CC(CNC(=O)COCCN(C)C)C1 1100870147 ACEQTGBZCIKCPU-UHFFFAOYSA-N 311.426 -0.301 30 20 DBED COCC#CCNC1CC(CNC(=O)c2ccc(=O)n(C)n2)C1 1100946963 NWKIVNJYQPXFKB-UHFFFAOYSA-N 318.377 -0.472 30 20 DBED CCC(=O)NCC(=O)NC[C@H]1CCN(c2cnc(C#N)cn2)C1 1100952271 VPONMLHYTKPCPC-LLVKDONJSA-N 316.365 -0.183 30 20 DBED CN(CCNc1nccnc1C#N)C(=O)CCN1CCOCC1 1101684922 IWYAGMDFWDPWIM-UHFFFAOYSA-N 318.381 -0.059 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)[C@]1(C)CCNC1=O 1101959340 QDTNYMJLPIEPMF-CQSZACIVSA-N 302.338 -0.833 30 20 DBED C#CCN1C[C@@H](C)[C@H](CNC(=O)C(C)(C)NS(C)(=O)=O)C1 1102449170 MORHJNVCIAPFOS-VXGBXAGGSA-N 315.439 -0.369 30 20 DBED CC[C@H](CNC(=O)[C@@H](C)NC(C)=O)N=c1cc[nH]c(C#N)n1 1102977890 LLKQTROBEKIBMM-MWLCHTKSSA-N 304.354 -0.399 30 20 DBED CC[C@H](CNC(=O)[C@H]1CNC(=O)N1)Nc1nc(C)cc(C#N)n1 1103278197 XIJOERHCNCCAJK-MWLCHTKSSA-N 317.353 -0.355 30 20 DBED C[C@H](CNC(=O)[C@@H]1CNC(=O)N1)CNc1ccc(C#N)nn1 1104183292 DLJHEFXBFMYRMP-WPRPVWTQSA-N 303.326 -0.806 30 20 DBED C[C@@H]1CN(C(=O)c2cn(C)c(=O)n2C)C[C@H]1CCNCC#N 1105076068 HYKNOHISURYVMW-VXGBXAGGSA-N 305.382 -0.065 30 20 DBED CN(CCN(C)c1nccnc1C#N)C(=O)[C@H]1CCNC(=O)C1 1105357574 KFSTUSUIWJDDHL-NSHDSACASA-N 316.365 -0.231 30 20 DBED CN(CCN(C)c1nccnc1C#N)C(=O)[C@]1(C)CCNC1=O 1105557320 GIHBONYCXFVRIG-OAHLLOKOSA-N 316.365 -0.231 30 20 DBED Cn1ccc(C(=O)NC[C@H](O)CNc2ccc(C#N)nn2)n1 1105856471 UKAQQXYQTOGRQA-SNVBAGLBSA-N 301.310 -0.715 30 20 DBED COCC[C@@H](C)C(=O)NC[C@H](O)CNc1nccnc1C#N 1105859832 JJOJLQHAGGRLOB-GHMZBOCLSA-N 307.354 -0.090 30 20 DBED N#Cc1cncc(NC[C@@H](O)CNC(=O)C2(F)CCOCC2)n1 1106150086 KNOBBUMHGMXWEE-LLVKDONJSA-N 323.328 -0.244 30 20 DBED C[C@H](CC(=O)NC/C=C/CNc1ccc(C#N)nn1)NC(N)=O 1107350378 FMIRIRVLKKHFCR-VMZHVLLKSA-N 317.353 -0.121 30 20 DBED Cc1cc(=NC[C@@H](C)NC(=O)[C@H]2CCC(=O)N2)c(C#N)c[nH]1 1107665038 HBRNBBVLARKMPR-ZYHUDNBSSA-N 301.350 -0.121 30 20 DBED CC(=O)N[C@@H](C(=O)N[C@H](C)CN=c1cc[nH]c(C#N)n1)C(C)C 1107872129 MXUCHWYNUPJCKQ-QMTHXVAHSA-N 318.381 -0.153 30 20 DBED C[C@H](CNc1ccc(C#N)nc1)NC(=O)[C@@H]1CC(=O)NC(=O)N1 1108151236 MYZMUYNQZODYRY-KCJUWKMLSA-N 316.321 -0.532 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CNc1cnc(C#N)cn1 1108321440 VHUJYPXFSFBICS-JTQLQIEISA-N 300.322 -0.596 30 20 DBED C=C(Cl)CN1CC(N2C[C@@H](NC(=O)COC)CC2=O)C1 1108494971 PKPADYKEOVHRSY-JTQLQIEISA-N 301.774 -0.213 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)[C@H](CCC)OC)CC2=O)C1 1108560921 PWMAOUXYCWZSOS-OCCSQVGLSA-N 307.394 -0.164 30 20 DBED C[C@H](CN(C)c1cncc(C#N)n1)NC(=O)[C@H]1CCC(=O)N1 1108863185 CFZGXKFSMHBVRW-MWLCHTKSSA-N 302.338 -0.432 30 20 DBED C[C@@H](CN(C)c1cnc(C#N)cn1)NC(=O)[C@@H]1CCNC(=O)C1 1108894092 AZMYRVNTHFIYFF-WDEREUQCSA-N 316.365 -0.185 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CNC(=O)C1CC1 1108989998 JPYWAGXZCFRGJY-ILXRZTDVSA-N 319.405 -0.116 30 20 DBED C[C@@H](CN(C)c1ncccc1C#N)NC(=O)[C@H]1CN(C)C(=O)N1 1109194365 QRYJDPPKFQNIPR-CMPLNLGQSA-N 316.365 -0.082 30 20 DBED C[C@@H](CN(C)c1ccnc(C#N)n1)NC(=O)[C@]1(C)CCNC1=O 1109239903 HCGWFLNNOZADAS-ZUZCIYMTSA-N 316.365 -0.185 30 20 DBED N#Cc1cccnc1NC1(CNC(=O)[C@@H]2CNC(=O)N2)CC1 1110324247 FWLFQZRWNQTGAF-JTQLQIEISA-N 300.322 -0.305 30 20 DBED CN(C)C(=O)CC(=O)N[C@]1(C)CCN(c2cnc(C#N)cn2)C1 1110817738 JRHIATJNPJZLNQ-OAHLLOKOSA-N 316.365 -0.088 30 20 DBED CNC(=O)CC(=O)N(CCO)CCNc1ccc(C#N)c(C)n1 1111458199 LROCSPRASZUECH-UHFFFAOYSA-N 319.365 -0.369 30 20 DBED C#CCNC[C@]12CCC[C@H]1CN(C(=O)CN1CCOCC1=O)C2 1112401691 SXXWJUCHRXKGSB-YOEHRIQHSA-N 319.405 -0.303 30 20 DBED Cc1ccnc(N2C[C@@H](O)[C@H](CNC(=O)CSCC#N)C2)n1 1112725887 QKVIAHBEZARPOB-VXGBXAGGSA-N 321.406 -0.045 30 20 DBED C[C@H](CNC(=O)[C@H]1COCCN1C)N(C)c1nccnc1C#N 1113561336 YMUQIJNSQALAAG-DGCLKSJQSA-N 318.381 -0.380 30 20 DBED COCCc1noc(CN2C[C@H]3[C@H](NC(=O)[C@@H](C)C#N)[C@H]3C2)n1 1114063959 KDRLFXAGVGTSOT-KZWBYHQPSA-N 319.365 -0.035 30 20 DBED N#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3ccc(F)nc3)[C@H]2C1 1114070279 WPEXHODOHUXRIP-YABSGUDNSA-N 317.324 -0.480 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)c3cnnc(O)c3)[C@H]2C1 1114436305 DYKSETVIQADCGY-IMRBUKKESA-N 302.334 -0.508 30 20 DBED Cc1noc(C(=O)NC2[C@H]3CN(CC(=O)NCC#N)C[C@H]23)c1C 1114445651 USNRMULWVQOTMA-QWRGUYRKSA-N 317.349 -0.409 30 20 DBED C=CCOCCN1C[C@H]2[C@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)[C@H]2C1 1114829510 YANKXUAIZLPFTG-MEBFFEOJSA-N 323.393 -0.732 30 20 DBED N#CCN1C[C@H]2[C@H](NC(=O)CC(=O)NCC(F)(F)F)[C@H]2C1 1115046612 OZLVTPOYBDZYAJ-VROVMSAKSA-N 304.272 -0.375 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)Cc3cncn3C)[C@@H]2C1 1115118899 NWYBAARGTBZLKA-CHWSQXEVSA-N 317.393 -0.689 30 20 DBED C[C@H](CN(C)C(=O)C[C@H]1CCC(=O)N1)N=c1cc[nH]c(C#N)n1 1115782230 FTTGYENWNOIMIB-GHMZBOCLSA-N 316.365 -0.302 30 20 DBED COC(=O)C[C@H](NC(=O)C(=O)Nc1cnn(CC#N)c1)C1CC1 1116508784 FZIKCMWUFXEGMD-NSHDSACASA-N 319.321 -0.197 30 20 DBED C=CCNC(=O)[C@@H](C)S(=O)(=O)c1nncn1CCOC 1117105989 YIMKFGDDZSDKJR-SECBINFHSA-N 302.356 -0.611 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N1C[C@H](CO)OC(C)(C)C1 1118089373 YIBYOYBJIDDYDZ-WDEREUQCSA-N 300.355 -0.698 30 20 DBED CC(C)OCCCC(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1 1121711169 KBUMYGOLSRYWCS-GFCCVEGCSA-N 321.381 -0.136 30 20 DBED C[C@@]1(C(=O)NC[C@@H](CO)N=c2cc[nH]c(C#N)n2)CCCOC1 1121935371 CLNOIXSUKJOKFS-XHDPSFHLSA-N 319.365 -0.524 30 20 DBED CCCN(C)CC(=O)N(C)C[C@@H](O)CNc1cncc(C#N)n1 1124442151 PFVFEYDNIUJTGX-ZDUSSCGKSA-N 320.397 -0.079 30 20 DBED C#CCOCCC(=O)NCCN[C@H](C)C(=O)NCC(F)(F)F 1127027237 MRHYHAWPPPQZJE-SNVBAGLBSA-N 323.315 -0.201 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cnc(CC(C)C)[nH]1 1127266430 HNMIHKQJYPAUBN-UHFFFAOYSA-N 305.382 -0.323 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1ccnc2[nH]cnc12 1128380281 BHWSCUMQLOTXOY-UHFFFAOYSA-N 302.338 -0.421 30 20 DBED C#CCN1CCn2ncc(CNC(=O)CCCCC(N)=O)c2C1 1128544930 YSWHCQGCQMEPJO-UHFFFAOYSA-N 317.393 -0.006 30 20 DBED CC#CCN[C@@H]1CN(C(=O)c2ccnn2C)C[C@@H]1n1ccnn1 1129656836 VOSXVUXHDZYRHZ-OCCSQVGLSA-N 313.365 -0.310 30 20 DBED C#CCN1CC[C@@H](c2n[nH]cc2CNC(=O)CN(C)C(C)=O)C1 1130345935 ZLWCDFFVXDYIGZ-CYBMUJFWSA-N 317.393 -0.073 30 20 DBED C#CCCCC(=O)N1C[C@@H]2C[C@@H]3CN([C@@H](C)C(N)=O)C[C@]2(C1)O3 1131219693 ALSGFHSTOAFVLB-SZOQZIPDSA-N 319.405 -0.035 30 20 DBED C#CCNC(=O)CN1CC[C@@]2(C1)CN(C(=O)CC)C[C@H](C)O2 1131621110 PYIULLQWSUATHX-XJKSGUPXSA-N 307.394 -0.162 30 20 DBED C#CCOCCC(=O)N[C@@H]1CC[C@H](C)N(Cc2nnn(C)n2)C1 1132030888 ZTIJSZDGCIMBNZ-QWHCGFSZSA-N 320.397 -0.281 30 20 DBED C#CCNC(=O)CN1C[C@H](NC(=O)CCCC(N)=O)CC[C@@H]1C 1132533589 PACSXHMNWHGUFF-QWHCGFSZSA-N 322.409 -0.640 30 20 DBED N#CCNC(=O)CNCCNC(=O)C1(c2cccnc2)CC1 1132746620 SUERIQWMIGXRBW-UHFFFAOYSA-N 301.350 -0.541 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1cnc(O)cc1C 1133659653 FRNIIUPNGZGJQY-LLVKDONJSA-N 304.350 -0.447 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)C[C@H](C)NCCOCCO 1134129989 ARXPALSFNFYIRB-STQMWFEESA-N 313.398 -0.992 30 20 DBED C=CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)c1cn(C)nn1 1134298822 MPAMSVUIJZCKLI-WDEREUQCSA-N 308.386 -0.396 30 20 DBED N#CCNC(=O)CN1CCC2(C1)CN(C(=O)[C@@H]1CCCCO1)C2 1147329245 PQNOXGUPEFLVTE-ZDUSSCGKSA-N 320.393 -0.270 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)Cn2nnnc2C(C)C)C1 1150425213 HXLOREOMQFTCJQ-ZDUSSCGKSA-N 320.397 -0.363 30 20 DBED C#CCN1CCC(CCOC)(NC(=O)[C@H]2CCC(=O)N2)CC1 1151042328 FHEXPRJFVMBMKH-CYBMUJFWSA-N 307.394 -0.115 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)c1cc(C(N)=O)ccn1 1153934342 JSUJSGYZSULSQJ-JTQLQIEISA-N 319.365 -0.809 30 20 DBED COCCS(=O)(=O)CCCNCCCNC(=O)[C@H](C)C#N 1155849087 SWLZVYSYBLNLCC-GFCCVEGCSA-N 319.427 -0.307 30 20 DBED C=CCNC(=O)NC(=O)CNCCCNC(=O)[C@@H]1CC1(F)F 1157590049 HRDVYHMFDQFDPI-VIFPVBQESA-N 318.324 -0.251 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)CCCn1ccnn1 1159702579 GXSLVFLQSXNIHJ-CYBMUJFWSA-N 322.413 -0.155 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@H]1CC(=O)N[C@@H](C)C1 1161589742 VQWAHQOMGFHGDY-NWDGAFQWSA-N 310.398 -0.701 30 20 DBED CC(C)[C@@H](O)C(=O)N[C@@H](C)CCCCNCC(=O)NCC#N 1170543858 OHCVXIPBDCTRHU-GXTWGEPZSA-N 312.414 -0.092 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)Cn1ccccc1=O 1175732393 GMAYYPGZMJLWHT-ZDUSSCGKSA-N 320.393 -0.365 30 20 DBED C[C@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)c1ccnnc1 1179594042 GHPGBUPPCOLAEU-JQWIXIFHSA-N 302.338 -0.691 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)CCn2ccnc2)C1 1184721022 SKJYGNUVQPLSEU-ZIAGYGMSSA-N 317.393 -0.398 30 20 DBED C#CCCNC[C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C[C@H]1C 1184932666 ADOFIFLSCQNLBD-CABCVRRESA-N 320.437 -0.484 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2nonc2C)C1 1188405122 FOJNPDMEKHTEFM-WDEREUQCSA-N 305.338 -0.680 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2snnc2C)C1 1188804814 YHIXPICWNNZQMW-LLVKDONJSA-N 321.406 -0.258 30 20 DBED CNC(=O)NC(=O)[C@H](C)N(C)[C@@H]1CCN(C(=O)C#CC2CC2)C1 1190076297 OJTLWNQZHNJJDS-WCQYABFASA-N 320.393 -0.223 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C(F)=C2CCCC2)C1 1192178119 GBTYXYBBIDTIEA-CHWSQXEVSA-N 323.368 -0.305 30 20 DBED C[C@@H](O)CCCN1C[C@@H](O)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 1192249308 QFSIENUYXDIIQG-LERXQTSPSA-N 306.366 -0.178 30 20 DBED C#CCCCC(=O)N[C@@H]1CN([C@@H](C)c2nncn2C)C[C@H]1O 1192511009 UWOZRNBFFZKULK-YNEHKIRRSA-N 305.382 -0.159 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(Cc2noc(CC)n2)C[C@H]1O 1192525668 XQRIMDMUUYJKAV-HFAKWTLXSA-N 324.381 -0.380 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(CC(=O)NC(C)(C)C)C[C@H]1O 1192555413 KEUNOAUQGWKPCO-CHWSQXEVSA-N 309.410 -0.134 30 20 DBED C[C@]1(C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@H]2O)CC=CCC1 1193212929 UVSBXMPFBFCOSB-IOASZLSFSA-N 320.393 -0.466 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@@H]1CCN(C(=O)Cn2ccnc2)C1 1194461150 WDIZTAPOEAJXMF-UONOGXRCSA-N 317.393 -0.446 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)[C@H]2COCCO2)CC1 1194882574 DFKRHHMDMNJASL-CYBMUJFWSA-N 311.382 -0.762 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)CCc2nc[nH]n2)CC1 1195444915 XSQPBYQPZHWLCI-UHFFFAOYSA-N 320.397 -0.426 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)COC[C@H](C)N2CCCC2)C1 1196306435 BVGOZDZRGHWJOJ-ARFHVFGLSA-N 323.437 -0.328 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@@H](C)OCC=C)CC1 1198344941 XRXKAERUQRZENS-CQSZACIVSA-N 307.394 -0.139 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)[C@H](C)NC(=O)c2ccco2)C1 1198849016 XVTYDPZJWKAIQW-QJPTWQEYSA-N 307.350 -0.255 30 20 DBED C=CCNC[C@H]1CN(C(=O)CC2CS(=O)(=O)C2)CCCO1 1200851571 PBKMVMPMZJFBFT-ZDUSSCGKSA-N 316.423 -0.186 30 20 DBED C#CCNC[C@H]1CN(C(=O)[C@]2(COC)CCOC2)CCCO1 1201090420 YNXYCYZNSAISEV-HOCLYGCPSA-N 310.394 -0.120 30 20 DBED C#CCCNC1CCN(C(=O)[C@H]2CCN(C)S2(=O)=O)CC1 1202872705 MWWYAFUICRYJGL-CYBMUJFWSA-N 313.423 -0.376 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC(CNCc2nnnn2C)CC1 1205249236 POVDSSGXXBLBNM-LBPRGKRZSA-N 320.397 -0.423 30 20 DBED N#CCNC(=O)CNCC1CCN(C(=O)c2ncccn2)CC1 1206658744 MRZBUBIPJNILAD-UHFFFAOYSA-N 316.365 -0.442 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)C2CC(OCC)C2)[C@H](C)C1 1206927264 RXLKYYWMRKTGHF-XSCHDIRWSA-N 321.421 -0.013 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCCN(C(=O)c2cnsn2)C1 1207500305 YKTXBTMRWNFNDR-WDEREUQCSA-N 321.406 -0.130 30 20 DBED C=CCCCN1C[C@@H](NC(=O)CN2CC(=O)NC2=O)[C@H](C)C1 1209566173 RILFWOAYGQUTHU-VXGBXAGGSA-N 308.382 -0.059 30 20 DBED CC#CCN1C[C@@H](NC(=O)C(=O)NCC(F)(F)F)[C@H](OC)C1 1213631201 BKBJDVIADWMCDB-NXEZZACHSA-N 321.299 -0.496 30 20 DBED C#CCCN1C[C@@H](NC(=O)[C@H](CC(C)C)C(N)=O)[C@H](OC)C1 1214002142 XJMQGLKAHLYLEO-MGPQQGTHSA-N 309.410 -0.027 30 20 DBED C=C[C@](C)(O)CC(=O)N1C[C@@H](NCc2nc(O)n[nH]2)[C@H](C)C1 1214533474 NJFCJKPCAUULSQ-RULNRJAQSA-N 309.370 -0.226 30 20 DBED C=C(C)CN[C@@H]1CN(C(=O)CNS(=O)(=O)N(C)C)C[C@H]1C 1215719649 QQVURHQAIOFLRY-VXGBXAGGSA-N 318.443 -0.605 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2ccc(C)o2)C1 1219135662 FNKDUCYUROUJCW-NEPJUHHUSA-N 305.334 -0.888 30 20 DBED C=CCC1(C(=O)N[C@@H]2CN(Cc3nnnn3C)C[C@@H]2O)CCC1 1220278931 SMZYXDHCSFBNQB-NEPJUHHUSA-N 320.397 -0.382 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2n[nH]c(C)n2)C[C@@H]1O 1221146041 SVKCYNZRCUCGLU-WCQGTBRESA-N 309.370 -0.634 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC[C@@H]2CN(C(=O)CC(N)=O)[C@@H]2C1 1221458358 CSDHMNGAIHCLPI-IJLUTSLNSA-N 308.382 -0.915 30 20 DBED C=CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3cncnc3)[C@@H]2C1 1221494326 WKAGUPAGDVNJKM-TZMCWYRMSA-N 315.377 -0.075 30 20 DBED C#CCOCCC(=O)NCC1CCN([C@H]2CCNC2=O)CC1 1223174364 CTHJXEQECNKIJF-AWEZNQCLSA-N 307.394 -0.257 30 20 DBED C#CCCN1CCC(CNC(=O)CN(C)C(=O)COC)CC1 1223383542 ZOGYTVIUANHXHI-UHFFFAOYSA-N 309.410 -0.057 30 20 DBED CN(C)S(=O)(=O)CC(=O)NCC1CCN(CC#N)CC1 1225299183 WNFHLQAFLSFKDH-UHFFFAOYSA-N 302.400 -0.770 30 20 DBED COCC#CCN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1COCCN1C 1225707529 IFKVSSXLMFFINY-BZUAXINKSA-N 323.437 -0.016 30 20 DBED N#CCNC(=O)CN1CCC(NC(=O)Cn2cccn2)CC1 1226038289 OEDYEGGQMZAOIE-UHFFFAOYSA-N 304.354 -0.897 30 20 DBED C=CCNC(=O)[C@H](C)N1CC[C@H]1CN(C)C(=O)c1ncn(C)n1 1234058193 GXNCPSZOIGXRPC-RYUDHWBXSA-N 320.397 -0.348 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)[C@@H](C)NC(=O)CC 1234490750 RGKIRBDIMZYLHF-CHWSQXEVSA-N 322.409 -0.817 30 20 DBED C#CCNC(=O)CN(C)CCCNC(=O)[C@@H](C)OCC1CC1 1235193294 FWDFSPDBZOCPKO-CYBMUJFWSA-N 309.410 -0.011 30 20 DBED N#CCC1CCN(C(=O)C(=O)N2CCOC[C@H]2CCO)CC1 1262540046 RKNDJPLSWUWRDF-CYBMUJFWSA-N 309.366 -0.252 30 20 DBED N#CCCCNC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 1320351434 FXWYDAHGCWSYBT-WDEREUQCSA-N 313.379 -0.558 30 20 DBED C=C[C@@H](COC)NC(=O)N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1321256465 KTSHYPZKIQEDLC-QWRGUYRKSA-N 310.354 -0.135 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)NC[C@@H]1CCCCS1(=O)=O 1323819067 DCMFSEVZKFNBGK-QWRGUYRKSA-N 318.395 -0.613 30 20 DBED N#CCN1CCC(NC(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)CC1 1323834380 DKAYHFDTTWLPBI-NEPJUHHUSA-N 309.370 -0.694 30 20 DBED CN1C[C@H](NC(=O)C(=O)N(C)Cc2cccc(C#N)c2)CC1=O 1324460727 DWDOMKGYYYTPPE-CYBMUJFWSA-N 314.345 -0.136 30 20 DBED CC[C@H](C)N1CCN(C(=O)C(=O)N2CCO[C@H](C#N)C2)CC1 1324889450 GTVBKCWXYHSRTJ-QWHCGFSZSA-N 308.382 -0.320 30 20 DBED C[C@@H]1C(=O)N(C)CCN1C(=O)C(=O)N1CCC(C)(C#N)CC1 1324900269 CPXSWGMNWIKRLT-LLVKDONJSA-N 306.366 -0.172 30 20 DBED C[C@@H](CNC(=O)C(=O)N1CC[C@@](O)(CC#N)C1)N1CCCCC1 1326079677 SNMSBPUMMQSSQF-BBRMVZONSA-N 322.409 -0.146 30 20 DBED C=CC[C@@H](CC)NC(=O)C(=O)N[C@H]1CCN(S(C)(=O)=O)C1 1326982224 ZZKDILMDJYWRPH-MNOVXSKESA-N 317.411 -0.393 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N(CC)[C@H](C)CS(C)(=O)=O 1327260454 ZXQZKNSFJRIWQY-MNOVXSKESA-N 320.411 -0.415 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)C(=O)NC[C@H]2CCN(C3CC3)C2)C1 1328253713 FIZXZUFSKITBDY-MLGOLLRUSA-N 320.393 -0.536 30 20 DBED CN(C)c1ncc(CNC(=O)C(=O)N2CC[C@](F)(C#N)C2)n1C 1328727581 DZAHWQJJCSTXKC-AWEZNQCLSA-N 322.344 -0.434 30 20 DBED CC(=O)N[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](CC#N)C2)C1 1333456140 NMDFCKVSUZHWOU-CHWSQXEVSA-N 306.366 -0.124 30 20 DBED C#CC[C@H]1NC(=O)N(C2CCN(C(=O)CCOC)CC2)C1=O 1333646790 ZZDGREGZHGSBKT-GFCCVEGCSA-N 307.350 -0.042 30 20 DBED C#CCCCn1nnnc1N(C)[C@H]1CCN(S(C)(=O)=O)C1 1334180435 RPTKNRHQCCXNNT-NSHDSACASA-N 312.399 -0.443 30 20 DBED N#CC[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCS(=O)(=O)C2)C1 1334823631 ZKTIYSDHVFGSRF-GHMZBOCLSA-N 313.379 -0.558 30 20 DBED C#CCN1CCC[C@@H](NC(=O)N(C)CCNS(C)(=O)=O)C1 1337738018 RZPVNAUJLVAVGJ-GFCCVEGCSA-N 316.427 -0.725 30 20 DBED C#CCNC(=O)C1CCN(Cc2cc(=O)n3nccc3[nH]2)CC1 1344707821 SFKOZYSPRWDXRQ-UHFFFAOYSA-N 313.361 -0.016 30 20 DBED CC#CCN(C)C(=O)C(=O)N1CCN(c2cnn(C)c2)C(=O)C1 1344825560 JZEMYLSWQYJBOU-UHFFFAOYSA-N 317.349 -0.923 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)N2CCOC[C@@H]2C2CC2)C1 1345974190 WPFCXWXWOHYUAH-DOMZBBRYSA-N 307.350 -0.499 30 20 DBED C=CCN(C(=O)C(=O)N1CC[C@H](NC(C)=O)C1)[C@@H](C)COC 1350282948 ULKJIPKYJBSNPD-AAEUAGOBSA-N 311.382 -0.227 30 20 DBED C=CCNC(=O)Cn1nnnc1N1CC[C@@H](N2CCCC2=O)C1 1352313721 BQIDSOXJFRBSDH-LLVKDONJSA-N 319.369 -0.824 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC(C(=O)O)([S@@](C)=O)CC1 1354051112 LRZABSGJZZNWLR-CFMSYZGJSA-N 301.364 -0.151 30 20 DBED C=CCNC(=O)Cn1nnnc1N1C[C@@H](COC)O[C@H](C)C1 1355583052 VFOKLBPXSSSKOM-MNOVXSKESA-N 310.358 -0.785 30 20 DBED CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)c1ccc(C#N)[nH]1 1361826599 BGHCPHTYTVDHOA-JTQLQIEISA-N 324.362 -0.738 30 20 DBED CO[C@@H]1CCC[C@H]1CNC(=O)Cn1cc(C#N)c(O)nc1=O 1362284136 IORGFRFZBALJBR-GXSJLCMTSA-N 306.322 -0.248 30 20 DBED CC(C)N1CCC[C@@H]1C(=O)NCCn1cc(C#N)c(O)nc1=O 1362688140 LHBLMMKSKICJGT-GFCCVEGCSA-N 319.365 -0.190 30 20 DBED CCS(=O)(=O)C1CN(S(=O)(=O)c2cccnc2C#N)C1 1363860098 GDONDYUTTOYTPP-UHFFFAOYSA-N 315.376 -0.239 30 20 DBED CCn1nc(C(=O)NC[C@H](C)NC(=O)[C@@H](C)C#N)ccc1=O 1377974365 VSXPRUJXUOLFAZ-UWVGGRQHSA-N 305.338 -0.343 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CCN(C(=O)Cn2ccccc2=O)C1 1385843004 PATPBNUZJXZKJK-RYUDHWBXSA-N 302.334 -0.275 30 20 DBED C[C@H](C#N)C(=O)N[C@H](CNC(=O)CN1CCOCC1=O)C1CC1 1407647931 OZVPASILQJOGDB-ZYHUDNBSSA-N 322.365 -0.984 30 20 DBED CC[C@H](CNC(=O)[C@H]1CCC(=O)N1)NC(=O)c1ccc(C#N)[nH]1 1409246728 DTYWXACLWOHTAX-MWLCHTKSSA-N 317.349 -0.210 30 20 DBED C[C@@H](C#N)C(=O)N(C)C[C@H]1CCCN1C(=O)CCNC(N)=O 1411273153 XECLZCNFGGEFCJ-WDEREUQCSA-N 309.370 -0.346 30 20 DBED CCN(CC)CCNC(=O)CCn1cc(C#N)c(O)nc1=O 1412373846 OPBCPKSAPYTARK-UHFFFAOYSA-N 307.354 -0.331 30 20 DBED Cn1c(=O)[nH]c(N[C@@H](CCO)C2CCOCC2)c(C#N)c1=O 1413884949 GPSIAPTWUBKSJL-NSHDSACASA-N 308.338 -0.465 30 20 DBED CC(C)OCC(=O)N1C[C@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 1414045604 XMPCGUBEHWSSSM-OLZOCXBDSA-N 320.349 -0.387 30 20 DBED N#Cc1cn(CCNC(=O)CNCC(F)(F)F)c(=O)nc1O 1418536553 NNRHISRRZVYYLT-UHFFFAOYSA-N 319.243 -0.911 30 20 DBED Cc1ncncc1C(=O)N(C)C[C@@H](O)CNC(=O)[C@H](C)C#N 1425776502 TUNXUQNLASLYLM-KOLCDFICSA-N 305.338 -0.506 30 20 DBED COCCN(CCNC(=O)[C@@H](C)C#N)C(=O)[C@@H]1COCCO1 1426071930 PCKVCQDDVPRBMZ-RYUDHWBXSA-N 313.354 -0.847 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]1CNC(=O)CNC(=O)N1CCCC1 1433719472 PWPRMZXNWDMWQF-NEPJUHHUSA-N 321.381 -0.331 30 20 DBED C[C@@H](Cc1cnn(C)c1)NC(=O)NCCn1cnc(C#N)n1 1434799177 INZRYLPHGKVYEK-JTQLQIEISA-N 302.342 -0.186 30 20 DBED C[C@H](C#N)C(=O)NCCN1CCN(C(=O)CCCN(C)C)CC1 1446922754 NKJHFBHAIIHMDK-CQSZACIVSA-N 323.441 -0.252 30 20 DBED C[C@H](C#N)C(=O)N[C@@H](CNC(=O)CN1CCOCC1)C1CC1 1447144250 RPSNTZJOCMUIGY-YPMHNXCESA-N 308.382 -0.511 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CCCN(C(=O)CCn2cncn2)C1 1453844786 GFOPNPVDHHAOSE-RYUDHWBXSA-N 304.354 -0.065 30 20 DBED C[C@@H](C#N)C(=O)NCC1(C)CCN(C(=O)Cn2cnnn2)CC1 1454001920 VSRXAGIVSRWNKU-NSHDSACASA-N 319.369 -0.422 30 20 DBED C[C@H](C#N)C(=O)NC[C@@](C)(NC(=O)CCn1cnnn1)C1CC1 1457119059 CHNSOMYEFNVJJF-QMTHXVAHSA-N 319.369 -0.376 30 20 DBED CCC[C@@H](NC(N)=O)C(=O)N1CC[C@@H](NC(=O)[C@H](C)C#N)C1 1491866762 LLXDFIHHBBYEMS-GMTAPVOTSA-N 309.370 -0.300 30 20 DBED C[C@H](C#N)C(=O)NCC1CN(C(=O)CCN2CCOCC2)C1 1530880455 OCJDUDCDWYATAN-GFCCVEGCSA-N 308.382 -0.557 30 20 DBED CC[C@@H](CNC(=O)CCNS(C)(=O)=O)NC(=O)[C@H](C)C#N 1531245815 ATHVVAOSWNBXBY-ZJUUUORDSA-N 318.399 -0.904 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 1573583360 LGIRIIBKASSFQB-QMMMGPOBSA-N 316.325 -0.457 30 20 DBED Cn1c(N2CC[C@@H]3[C@H](C2)[C@@H]3C(=O)O)c(C#N)c(=O)n(C)c1=O 1574211226 DUKSJWMSLQYONB-FKTZTGRPSA-N 304.306 -0.887 30 20 DBED N#C[C@@H]1CN(C(=O)c2cn(CC(=O)O)nn2)CCN1C1CC1 1574480626 NWMZPVLXSDXGHG-SNVBAGLBSA-N 304.310 -0.825 30 20 DBED C#CCN(C(=O)N[C@H]1CS(=O)(=O)C[C@H]1C)C1CCNCC1 1574590923 PQHKELCBIMDIHD-YPMHNXCESA-N 313.423 -0.184 30 20 DBED C#CCN(C)c1nnc([C@H]2COCCN2)n1Cc1nncn1C 1574615082 SSQFYROPFPWHMK-LLVKDONJSA-N 316.369 -0.815 30 20 DBED N#C[C@]12CN(C(=O)N[C@H]3C[C@H](CN)C3)C[C@H]1CS(=O)(=O)C2 1580056360 BBQJZHDCAKLLJB-MRBYEJRBSA-N 312.395 -0.697 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N1C[C@H](C)O[C@H](C(=O)O)C1 1588878770 HWFOHFJWVLNAHO-UWVGGRQHSA-N 320.367 -0.529 30 20 DBED CN(C)CCN1C(=O)C[C@@H](N2CCC(C#N)(C(=O)O)CC2)C1=O 1598230861 JEGQIIUMUNPJJL-LLVKDONJSA-N 322.365 -0.634 30 20 DBED C[C@H](C#N)CN(C)C(=O)C(=O)Nc1cccc(-c2nn[nH]n2)n1 1602983692 MEPCSBSZQPKDKP-MRVPVSSYSA-N 314.309 -0.182 30 20 DBED N#Cc1ccc(S(=O)(=O)N2CCCS(=O)(=O)CC2)o1 1645772924 SLECAGAGGAZYQC-UHFFFAOYSA-N 304.349 -0.040 30 20 DBED C#CCNC(=O)CNCC1(O)CCN(C(=O)[C@@H]2C[C@H]2C)CC1 1733880969 OZYBZIYCVKPCGP-CHWSQXEVSA-N 307.394 -0.665 30 20 DBED C=CCNC(=O)[C@H](C)N[C@H]1C[C@@H](NC(=O)c2cn(C)nn2)C1 1752723332 NHUKNRHAZNTSDN-GARJFASQSA-N 306.370 -0.644 30 20 DBED C#CCCN[C@H]1C[C@@H](NC(=O)c2ccc(S(N)(=O)=O)o2)C1 1752741615 VRVVDSUEZWLXCC-AOOOYVTPSA-N 311.363 -0.199 30 20 DBED COCC#CCNC[C@H]1CCCN(C(=O)[C@H]2CCNC2=O)C1 1752803745 AIRMRGKJLITQMF-KGLIPLIRSA-N 307.394 -0.400 30 20 DBED C#CCNCCNC(=O)[C@@H]1CCCN(C(=O)c2ccnnc2)C1 1752927107 LZZLVPLVMOEGQB-CQSZACIVSA-N 315.377 -0.332 30 20 DBED N#CCNC(=O)CN1CC[C@@H](CNC(=O)CC2OCCCO2)C1 1753123463 SNPAFRSZNRGOKI-LBPRGKRZSA-N 324.381 -0.783 30 20 DBED C=CCN1CC[C@H](NCCN(C)C(=O)[C@]2(F)CCOC2)C1=O 1753228556 DLYDRBPDMXDHIJ-WFASDCNBSA-N 313.373 -0.050 30 20 DBED C=CCNC(=O)[C@H](C)N1CC(NC(=O)Cc2n[nH]c(C)n2)C1 1753376193 KCCNOYNQAIKWDK-VIFPVBQESA-N 306.370 -0.853 30 20 DBED C#Cc1ccc(C(=O)N(C)CCN(C)Cc2nnn(C)n2)nc1 1753867140 GALLFZYCBUZNIV-UHFFFAOYSA-N 313.365 -0.210 30 20 DBED C=CCNC(=O)CN1CC[C@@H]1CNC(=O)c1ccc(C(N)=O)o1 1754489296 UTYMVLMCSYPMJQ-SNVBAGLBSA-N 320.349 -0.515 30 20 DBED C#CCCN1CCC(C)(NC(=O)[C@H](C)NS(C)(=O)=O)CC1 1754628997 NKQLGBMQVCBXDC-LBPRGKRZSA-N 315.439 -0.082 30 20 DBED C#CCN1CCC(C)(NC(=O)CCCN2C(=O)CNC2=O)CC1 1754631181 LDCNUWWRPGZWOX-UHFFFAOYSA-N 320.393 -0.078 30 20 DBED C#CCO[C@H](C)C(=O)N[C@]1(C)CCN(CC(=O)NC(=O)NC)C1 1754671495 ZJDLSCCDLXBBKD-IAQYHMDHSA-N 324.381 -0.939 30 20 DBED CNC(=O)NCCC(=O)N1CC[C@@H](CCNCC#CCOC)C1 1754914005 YBKNTVAJYPSAQC-CQSZACIVSA-N 324.425 -0.217 30 20 DBED C#CCNC[C@@H]1CN(C(=O)c2ccc3nnc(O)n3c2)CCO1 1755013984 ZYXDNYUVEBFKOD-GFCCVEGCSA-N 315.333 -0.501 30 20 DBED CC(=O)NCCOCCN[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1C 1755109486 VWNKBUGPYYCPBQ-BBRMVZONSA-N 321.421 -0.011 30 20 DBED C#CCNC(=O)CN(C)C[C@H]1CCCN1C(=O)Cc1cnc[nH]1 1755199253 SHAXCLNFKXUZBC-CQSZACIVSA-N 317.393 -0.376 30 20 DBED C#CCNC(=O)CNC[C@H]1C[C@H](NC(=O)[C@H]2CCCCO2)C1 1755469254 ISCRIKMUIFPTHM-MGPQQGTHSA-N 307.394 -0.211 30 20 DBED C#CCNC(=O)CNCCC[C@@H](C)NC(=O)c1c(C)ncn1C 1755501049 IXGFPNFIWVULQS-GFCCVEGCSA-N 319.409 -0.034 30 20 DBED C#CCNC(=O)[C@H](C)NC1CC(N(C)C(=O)c2cnn[nH]2)C1 1755858742 PPBMFXQWTSWWQJ-WHXUTIOJSA-N 304.354 -0.865 30 20 DBED C#CCCCC(=O)NC1(CCO)CN(C(=O)c2nc[nH]n2)C1 1756079426 BKRHCTHDKXOPIV-UHFFFAOYSA-N 305.338 -0.699 30 20 DBED O=C(C#CC1CC1)N[C@H]1C[C@H](CNC(=O)[C@@H]2CCNC2=O)C1 1756251342 XGWKZZVMJCWIAD-JHJVBQTASA-N 303.362 -0.453 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H](CO)NC(=O)c1ncccc1C 1756521930 ZNCQPAODNAZKSX-OLZOCXBDSA-N 319.361 -0.365 30 20 DBED C=CCOCC(=O)N[C@@H]1C[C@H](C)N(C(=O)c2cnnn2C)C1 1756588856 WRZWGRAMHXHCTB-WDEREUQCSA-N 307.354 -0.263 30 20 DBED C=C[C@@](C)(CC)C(=O)NC[C@@H](O)CN(C)C(=O)Cn1cncn1 1756680211 VPKIOYIUNPVBPC-DOMZBBRYSA-N 323.397 -0.184 30 20 DBED C=CCCOCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cccn2C)C1 1756978500 WUDJWAQOJKPEMX-TZMCWYRMSA-N 321.377 -0.081 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC[C@H](NC(=O)Cn2cncn2)[C@H]1C 1757543600 GSKUAWXUUUVBMA-AGIUHOORSA-N 321.381 -0.025 30 20 DBED C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1780335908 PWYMKRKAZZVZOI-MRXNPFEDSA-N 312.329 -0.037 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](CC)NC(C)=O)CCO2 1783046778 VLFISXRKIAFACR-BBRMVZONSA-N 321.377 -0.636 30 20 DBED C=CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cnnn1C)CCO2 1783916869 SPFSQJWZTNUYDH-HNNXBMFYSA-N 319.365 -0.165 30 20 DBED CC(C)[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC#N 1795416643 FNRHIZJZKGOYMH-AYRXBEOTSA-N 323.393 -0.103 30 20 DBED N#CC1(C(=O)N2CCCC23CN(C(=O)Cn2ccnn2)C3)CC1 1842807568 QUWAJKONIULPTQ-UHFFFAOYSA-N 314.349 -0.215 30 20 DBED C[C@H](NC=O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(C)(C)C#N 1847346322 IARZFIFEADJRFJ-SRVKXCTJSA-N 306.366 -0.128 30 20 DBED Cc1nc(S(=O)(=O)NCCC(=O)N(C)CCC#N)cn1C 102637550 HWMCTBDSFJJITF-UHFFFAOYSA-N 313.383 -0.231 30 20 DBED C#CCCCNS(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1 173790332 BHFWXXBOSMNIIZ-UHFFFAOYSA-N 307.331 -0.092 30 20 DBED C[C@@H]1CN(C(=O)CN(CCC#N)CCN2CCOCC2)CCO1 174830364 MYYCTVPFSQEAMZ-OAHLLOKOSA-N 324.425 -0.218 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCO[C@@H](C)C2)C1=O 271423458 NKXACAHBLSDGEB-VHSXEESVSA-N 309.322 -0.353 30 20 DBED C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cnn(CC(=O)NCCO)c1 280063142 BEKDTPRCMFRMDH-TZMCWYRMSA-N 322.365 -0.089 30 20 DBED C=CCN1CCC(NC(=O)C(=O)NCC(=O)N(C)CC)CC1 286735295 RUOISOXGGCNTBV-UHFFFAOYSA-N 310.398 -0.653 30 20 DBED Cn1cc(S(=O)(=O)Nc2ccc(C#N)cn2)c(=O)n(C)c1=O 314872247 IZYJZBXBJYQRBK-UHFFFAOYSA-N 321.318 -0.849 30 20 DBED C#CC[C@H](NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)C(=O)O 316538012 BVHJJZNREYKUTG-VIFPVBQESA-N 324.314 -0.114 30 20 DBED CN1C(=O)C[C@H](C(=O)N2CCO[C@H](C#N)C2)[C@@H]1c1ccnn1C 328828177 SXAKKROKXXKXPY-UHIISALHSA-N 317.349 -0.310 30 20 DBED CN(C)S(=O)(=O)[C@@H]1CCCN(/C(O)=N/[C@@H]2[C@H]3COC[C@H]32)C1 329526714 TWEJIOMURBVVGL-WYUUTHIRSA-N 317.411 -0.099 30 20 DBED C[C@@H]1CN(/C(O)=N/C[C@@H]2COCCO2)C[C@@H](C)S1(=O)=O 329542115 DUIADJBWYASHFV-GMTAPVOTSA-N 306.384 -0.177 30 20 DBED CCN(C[C@@H](C)C#N)C(=O)CN1CC[C@@H](S(N)(=O)=O)C1 330471461 NUZOVJUZDWULRE-WDEREUQCSA-N 302.400 -0.643 30 20 DBED CCCN(CC(=O)N(C)C)S(=O)(=O)N1CCO[C@@H](C#N)C1 336911559 JHJWCLABYHWLAE-NSHDSACASA-N 318.399 -0.744 30 20 DBED COCCN(CCC#N)S(=O)(=O)NCCC1CC(O)C1 337200713 ZXBBLBKDXWFOEK-UHFFFAOYSA-N 305.400 -0.156 30 20 DBED CC#CCN(C)C(=O)CCS(=O)(=O)NCC(=O)NC(C)C 341004142 KRCADORPBUZVSD-UHFFFAOYSA-N 317.411 -0.698 30 20 DBED CS(=O)(=O)Nc1ccccc1C(=O)NCC(=O)NCC#N 344213630 HRDNUKNSOHALTO-UHFFFAOYSA-N 310.335 -0.572 30 20 DBED CN(CC(=O)NC1(C#N)CCC1)C[C@@H](O)CN1CCOCC1 347049795 ITVHHNVFBGNALU-CYBMUJFWSA-N 310.398 -0.826 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N1C[C@@H](C(N)=O)O[C@H](C)C1 374461628 YJPFYAKSPYUTIA-AXFHLTTASA-N 318.399 -0.713 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(c2c(C#N)c(C)nn2C)CC1 490741285 QFJALKLEHXDJRU-ZDUSSCGKSA-N 314.393 -0.140 30 20 DBED C#C[C@H](C)N(C)C(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 491734572 LJTYYQQFBHDBOD-UONOGXRCSA-N 307.394 -0.353 30 20 DBED C#CCNC(=O)CN1CCN([C@H](C)C(=O)N(C)C(C)C)CC1 491802783 GWAXQELRGYPAOK-CQSZACIVSA-N 308.426 -0.391 30 20 DBED CC[C@](C)(C#N)NC(=O)CNS(=O)(=O)c1cn(C)c(C)n1 524269603 CIRAEFZXNLODQX-GFCCVEGCSA-N 313.383 -0.185 30 20 DBED N#CC1(NC(=O)CN2CCN(C(=O)[C@@H]3CCCO3)CC2)CCC1 525886176 VQVTWDQGEVLRMK-ZDUSSCGKSA-N 320.393 -0.128 30 20 DBED C=CCCCCCNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 583154530 DHJWVUFIPJATHP-OLZOCXBDSA-N 322.409 -0.381 30 20 DBED CN(CCS(=O)(=O)c1ccc(C#N)cn1)Cc1nnc(O)o1 595545204 DWYQNJQBPBRTGW-UHFFFAOYSA-N 323.334 -0.052 30 20 DBED CC(C)[C@H](C#N)N1CCN(CC(=O)N[C@H](C)C(=O)N(C)C)CC1 609539112 SWKAUTLGNNCFCQ-KGLIPLIRSA-N 323.441 -0.255 30 20 DBED C#CCCS(=O)(=O)N1CCC(C(=O)NCCCO)CC1 711064928 IWBOHHVBHUFAAV-UHFFFAOYSA-N 302.396 -0.450 30 20 DBED COc1cc(C=NNC(=S)NCC(N)=O)ccc1OC(C)=O 731928213 KTLDWSDUZSOCTM-UHFFFAOYSA-N 324.362 -0.096 30 20 DBED CCO[C@@H]1C[C@H]1C(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1 732909545 CEAREAOREKMCDF-OUAUKWLOSA-N 314.363 -0.623 30 20 DBED Cn1cc([C@H](O)CNS(=O)(=O)c2cccnc2C#N)cn1 758127861 YPZALIMHMNEMBA-LLVKDONJSA-N 307.335 -0.301 30 20 DBED CN1CC[C@H](C(=O)NS(=O)(=O)Cc2cccc(C#N)c2)C1=O 774034607 VLAFHHRRRDPTCN-GFCCVEGCSA-N 321.358 -0.017 30 20 DBED CNC(=O)c1ccc(C(=O)NS(=O)(=O)CCCC#N)cn1 776123637 QRGBHBXKTBPFCU-UHFFFAOYSA-N 310.335 -0.195 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@@H]1CCN(C)[C@H](C)C1)[C@@H]1CCCO1 806041948 LZFIEKWUWPNNRY-MQYQWHSLSA-N 307.394 -0.118 30 20 DBED C#C[C@H](NC(=O)C(=O)NC[C@@H]1CCCN1CC)[C@H]1CCCO1 809312363 MHUDZEPFTLPOHO-MELADBBJSA-N 307.394 -0.116 30 20 DBED CC(C)(C#N)CS(=O)(=O)NC(=O)CN1CCCCC1=O 816005141 AZFOZGYDSKOYBC-UHFFFAOYSA-N 301.368 -0.005 30 20 DBED O=C(N[C@@H]1CCCN(O)C1=O)c1sccc1-n1cnnn1 820481986 BUIAEENGIRZRNV-SSDOTTSWSA-N 308.323 -0.166 30 20 DBED CCN(C[C@@H](C)C#N)C(=O)COC(=O)[C@H]1CCS(=O)(=O)N1 845371020 SSKCAZHEVNSCCE-VHSXEESVSA-N 317.367 -0.771 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2cc(OC)ns2)CC1 857115621 NFODDRSPFRTJJF-UHFFFAOYSA-N 322.390 -0.341 30 20 DBED CCN(C[C@H](C)C#N)C(=O)COC(=O)CN1CC(=O)N(C)C1=O 860304258 MFCGJAKTEQTZRV-SNVBAGLBSA-N 324.337 -0.568 30 20 DBED C#CC1(O)CN(C(=O)c2cc(S(C)(=O)=O)ncc2Cl)C1 890525797 KFOIPEFOLCHDFW-UHFFFAOYSA-N 314.750 -0.041 30 20 DBED C#CCN1CCC[C@@H](NC(=O)C(=O)Nc2cnc(C)nc2)C1 891605211 CGCJFJRXGNVTLG-GFCCVEGCSA-N 301.350 -0.063 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)NO[C@@H](C)C=C)CC1 895578764 SWHLUSQTWHNRCZ-NSHDSACASA-N 316.383 -0.713 30 20 DBED C=CCC1(O)CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)CC1 899588890 AGKOWHBBQDGZLP-UHFFFAOYSA-N 307.350 -0.373 30 20 DBED C#CCCCc1nnc(N2CC[C@H](CS(N)(=O)=O)C2)n1C 908528943 CMJICAJNYXKNQU-NSHDSACASA-N 311.411 -0.114 30 20 DBED C#CC[C@H](CO)NC(=O)NC[C@@H](N1CCOCC1)C(F)(F)F 922462037 JFEWLOKMVQVBLI-GHMZBOCLSA-N 323.315 -0.067 30 20 DBED C#CCN1CCC[C@@H](NC(=O)CN2CCCCS2(=O)=O)C1 923597827 ZVLVWVOILKSKLO-CYBMUJFWSA-N 313.423 -0.374 30 20 DBED C#Cc1ccccc1CC(=O)N1CCC(NC(=O)C(N)=O)CC1 947658993 CZVVHCJQGUDKFB-UHFFFAOYSA-N 313.357 -0.197 30 20 DBED C=CCN1CC[C@@H](N2CCN(C(=O)Cc3cnc[nH]3)CC2)C1=O 950732626 PMKMNRKZPJHTQY-CQSZACIVSA-N 317.393 -0.117 30 20 DBED C=CCCN1CCN(C(=O)C2(n3cnnn3)CCOCC2)CC1 951635758 ICLGKQZEIDDPHM-UHFFFAOYSA-N 320.397 -0.101 30 20 DBED N#Cc1cc(C(=O)N2CC[C@H]2CNC(=O)c2cnon2)c[nH]1 951753599 UMQMFQBFQRTTOU-JTQLQIEISA-N 300.278 -0.086 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@H](O)C(C)C)C1 954631250 SISOLXBWAAIJGL-LSDHHAIUSA-N 321.421 -0.230 30 20 DBED COCCn1ccc(C(=O)NC[C@@H]2CN(CC#N)C[C@@H]2O)n1 958255029 VCRWLKGCLQYCEK-YPMHNXCESA-N 307.354 -0.924 30 20 DBED CC(C)CCn1cc(C(=O)NC[C@@H]2CN(CC#N)C[C@@H]2O)nn1 958403141 ABWFOVPJHQDYJM-OCCSQVGLSA-N 320.397 -0.130 30 20 DBED C#CCCN1C[C@H](O)[C@H](CNC(=O)c2coc(COC)n2)C1 958552131 QFJKTBSRMQEQLZ-YPMHNXCESA-N 307.350 -0.133 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2cnc3n[nH]c(C)c3c2)C1 958672228 KDLMUNCMRQQBQP-OCCSQVGLSA-N 313.361 -0.078 30 20 DBED C[C@@H](NC(=O)c1c[nH]c(C#N)c1)[C@@H]1CCN(C(=O)CC(N)=O)C1 959093272 JCXJVMWOGOVDRC-NXEZZACHSA-N 317.349 -0.271 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H]2CN(C(=O)c3csnn3)C[C@@H]21 960878681 OHMHTVRNDHYRHV-INTQDDNPSA-N 321.362 -0.250 30 20 DBED C#CCN1CCN(S(=O)(=O)C2CN(C(=O)C3CC3)C2)CC1 961077860 XEDXQLYLAUJZHF-UHFFFAOYSA-N 311.407 -0.812 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC2(C1)CN(C(=O)[C@@H]1[C@H]3COC[C@H]31)C2 965478872 WCQNGXHUANOCBA-WUHRBBMRSA-N 319.361 -0.522 30 20 DBED O=C(N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O)c1ccsn1 968059264 PGIKEHJXSMXFJT-NEPJUHHUSA-N 305.359 -0.142 30 20 DBED CN1CC[C@H](N[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1=O 968346736 BSDPNCAAPJVSRJ-NEPJUHHUSA-N 301.350 -0.079 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](NCCN2CCNC2=O)C1 970016757 GRWAROYAWJMWEJ-MCIONIFRSA-N 322.409 -0.207 30 20 DBED C#CCCN1CC([C@H](C)NC(=O)[C@H]2CN(C(C)=O)CCO2)C1 970826419 QNZTXQAORMPVIK-SWLSCSKDSA-N 307.394 -0.307 30 20 DBED Cc1nc(O)[nH]c1C(=O)N1CC[C@]2(CN(CC#N)CCO2)C1 972420339 SNMJVDWSXQFHCF-AWEZNQCLSA-N 305.338 -0.136 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)[C@]3(CC)CCNC3=O)C2)C1 972424133 ZGTLCHOEYZPDJR-DLBZAZTESA-N 319.405 -0.161 30 20 DBED C#CCCN1C[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C(C)(C)C1 975030989 OWVJKJCLDLWAPD-XQQFMLRXSA-N 307.394 -0.131 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)C(C)(C)C(N)=O)C[C@H]2C1 986596106 KLNHSKPHYVYCTL-TUAOUCFPSA-N 320.393 -0.036 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)Cc2cc[nH]n2)C1 990593506 IMCVUZPRXPEEOI-OLZOCXBDSA-N 304.350 -0.130 30 20 DBED C[C@H]1[C@@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)CCCN1CC#N 994171804 ONSLBJQWCRYGOL-QWRGUYRKSA-N 321.381 -0.191 30 20 DBED C=CC(C)(C)C(=O)N1CC(NC(=O)[C@H]2CCS(=O)(=O)C2)C1 995439641 XYDIOSWMTBJJNA-JTQLQIEISA-N 314.407 -0.040 30 20 DBED C=C(Cl)CNC1CCN(C(=O)CN2CCNC(=O)C2)CC1 996868948 AJYWGOMMPKBXMV-UHFFFAOYSA-N 314.817 -0.249 30 20 DBED COCCn1cc(C(=O)NC2CN(C(=O)C#CC3CC3)C2)cn1 997673414 WKXZZGXWMSZIEK-UHFFFAOYSA-N 316.361 -0.117 30 20 DBED N#CCN[C@@H]1CCCN(C(=O)CN2CCCS2(=O)=O)C1 999300801 ASIKNHIAIRUEOZ-LLVKDONJSA-N 300.384 -0.874 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CCCNC2=O)C1 1000022495 PNSDRABQWQPUCX-AGIUHOORSA-N 321.377 -0.569 30 20 DBED C[C@@H](C#N)C(=O)N1CC(CNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1003629909 OOXMVDBJSNBKOM-DOERSZECSA-N 321.377 -0.228 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C(=O)[C@@H]2CCCS2(=O)=O)CC1 1011216434 WFMIICOZEYHCNI-QWRGUYRKSA-N 313.379 -0.606 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C(=O)C[C@H]2CCC(=O)NC2)CC1 1011234399 RAZPGXHETVWBEK-VXGBXAGGSA-N 306.366 -0.267 30 20 DBED C[C@H]1C[C@@H](NC(=O)c2c[nH]c(=O)cn2)CN1C(=O)C#CC1CC1 1012590895 MVNHQRBRQBAFEY-CMPLNLGQSA-N 314.345 -0.098 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)C(N)=O)C[C@@H](C)O2)C1 1017850027 WAAZBXIGBAKLGN-BZNIZROVSA-N 323.393 -0.098 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@H](N[C@H]3CCCNC3=O)C2)c1 1018682631 OLZSXGURGQUIJG-RYUDHWBXSA-N 301.350 -0.031 30 20 DBED C[C@@H](C#N)C(=O)N1CCCO[C@H](CNC(=O)c2cnn(C)n2)C1 1019623405 YYRIRMDJJJFUEI-WDEREUQCSA-N 320.353 -0.678 30 20 DBED O=C(C#CC1CC1)N1C[C@@H](O)[C@H](NC(=O)C2(F)CCOCC2)C1 1024228848 BGDJYAFXEHASOS-CHWSQXEVSA-N 324.352 -0.394 30 20 DBED C=CCCn1cc(C(=O)NCC2CN([C@H]3CCNC3=O)C2)nn1 1032041466 OZVVWMMJNXLXGA-ZDUSSCGKSA-N 318.381 -0.596 30 20 DBED C#CCN1CCC(C(=O)N2C[C@@H]3C[C@H]2CN3CCCO)CC1 1032800548 MQIWUHCADHQFPA-HOTGVXAUSA-N 305.422 -0.001 30 20 DBED C#CCN1CCC(C(=O)N(C)[C@@H]2CCN(CC(N)=O)C2)CC1 1033688170 PCHUYQNNVSIMIE-CQSZACIVSA-N 306.410 -0.650 30 20 DBED C=C(Cl)CN1CCO[C@@H](CNC(=O)[C@H]2CN(C)CCO2)C1 1035328149 QIZZNBDSBFNSRF-QWHCGFSZSA-N 317.817 -0.114 30 20 DBED CC[C@H]1CN(C(=O)CN2C(=O)CCC2=O)CC[C@H]1NCC#N 1037988530 XJZQAOKXYBAYEQ-NWDGAFQWSA-N 306.366 -0.124 30 20 DBED N#CCNC1C[C@@H]2CCC[C@H](C1)N2C(=O)c1nnc(O)nc1O 1039284975 OIOJZLBSINDYPX-PBINXNQUSA-N 318.337 -0.078 30 20 DBED C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1nc(C)n(C)c1=O 1039465175 RPEMIAYVGFKCQZ-KGLIPLIRSA-N 317.393 -0.411 30 20 DBED Cc1n[nH]c(C)c1C(=O)NC[C@@]1(O)CCN(C(=O)[C@@H](C)C#N)C1 1040538919 SDZPSLDJXMJATH-VFZGTOFNSA-N 319.365 -0.121 30 20 DBED C=CCCC(=O)N1CC[C@](O)(CNC(=O)C2(C(N)=O)CC2)C1 1040738510 NQWGBEKEZREZHJ-AWEZNQCLSA-N 309.366 -0.702 30 20 DBED C[C@@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)Cn2ccnc2)C1 1040771312 XQWFNPHRAOTWGO-SMDDNHRTSA-N 305.338 -0.878 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)c3n[nH]cc3F)C2)nn1 1041327091 HKMKIWJRKGYWIC-NXEZZACHSA-N 317.284 -0.810 30 20 DBED CC#CCCCC(=O)N1CC(O)(CNC(=O)c2cnn(C)c2)C1 1041416614 VBMAKPBMMPJWGM-UHFFFAOYSA-N 318.377 -0.083 30 20 DBED Cn1cccc1C(=O)NCC1(O)CN(C(=O)CSCC#N)C1 1041500573 HKBRBQBDTZZMPR-UHFFFAOYSA-N 322.390 -0.415 30 20 DBED C=CCN1CC[C@]2(CCN(C(=O)[C@@H]3CCS(=O)(=O)N3)C2)C1 1041835479 GTTYHOWSENBLQG-JSGCOSHPSA-N 313.423 -0.212 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)[C@H]2CCCNC2=O)C1 1041963242 KZGWBVXFHZQYPU-NSHDSACASA-N 309.366 -0.832 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@@H]2OCC)C1 1042039739 IKBIGLKNKAGFGJ-NEPJUHHUSA-N 312.366 -0.697 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(O)CN(C(=O)C(C)(F)F)C1 1042808932 FWCCHBGMEKNCMM-NSHDSACASA-N 306.309 -0.342 30 20 DBED CCOC1CC(C(=O)N2CC(O)(CNC(=O)C#CC3CC3)C2)C1 1042959446 ZSIAOAMTSZPYFD-UHFFFAOYSA-N 320.389 -0.096 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)C[C@@H]2CCOC2)C1 1043039611 IGAMBNGTAXBICW-STQMWFEESA-N 324.377 -0.859 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)[C@@]23CCC[C@@H]2C3)C1 1043040066 NEWWUGGAOGHKES-OGHNNQOOSA-N 320.389 -0.096 30 20 DBED C=CCCOCC(=O)NCC1(O)CN(C(=O)c2ncoc2C)C1 1043564560 HDHOMYKHYNIAFT-UHFFFAOYSA-N 323.349 -0.121 30 20 DBED C#CCN1CCC2(CC1)CO[C@@H](CNC(=O)[C@@H]1CCC(=O)N1)C2 1045685698 WZEGAMUXFNNAJB-KGLIPLIRSA-N 319.405 -0.115 30 20 DBED C#CCN1CC[C@@H](N2CCN(C(=O)Cc3ccn(C)n3)CC2)C1 1046027242 LCIKTQXZEPPBRL-MRXNPFEDSA-N 315.421 -0.186 30 20 DBED C=C[C@@](C)(CC)C(=O)N1CC(O)(CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 1046717658 NESVDAFTVDYQIV-ZETOZRRWSA-N 323.393 -0.600 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@H]2C[C@@H]2C)C1 1046823982 KURQSQSYKRYYNM-RNJOBUHISA-N 308.378 -0.077 30 20 DBED N#Cc1nccnc1N[C@H]1C[C@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 1047009084 AVTSQQQEZVZECG-QXEWZRGKSA-N 315.337 -0.664 30 20 DBED Cc1cn2c(n1)C[C@H](C(=O)N(C)[C@H]1CN(CC#N)C[C@@H]1O)CC2 1047428079 WSDZVSANVCVOMB-RDBSUJKOSA-N 317.393 -0.219 30 20 DBED CN(C(=O)c1cnc2c(cnn2C)c1)[C@H]1CN(CC#N)C[C@@H]1O 1047576926 VBFWELGLRSJSES-STQMWFEESA-N 314.349 -0.391 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)Cc2cncnc2)C[C@@H]1O 1049394342 JEZSEKWWPDIXLM-DRZSPHRISA-N 317.349 -0.791 30 20 DBED C[C@@H]1[C@@H](NC(=O)[C@@H]2COCCO2)CCN1c1nccnc1C#N 1050065022 IGGFDTWCEWNVMD-MDZLAQPJSA-N 317.349 -0.153 30 20 DBED C=C(Cl)CN1CCOC[C@@H]1CNC(=O)[C@H]1CCNC1=O 1051059675 GWMXIHGRQGKLHT-QWRGUYRKSA-N 301.774 -0.308 30 20 DBED CC(=O)NCc1ccc(C(=O)NC[C@@H]2COCCN2CC#N)o1 1051169452 XNGFXWXLOZBZCR-GFCCVEGCSA-N 320.349 -0.130 30 20 DBED COc1cncc(CNC[C@@H]2CN(C(=O)[C@H](C)C#N)CCO2)n1 1051495003 QESCCZXHNHZWKL-DGCLKSJQSA-N 319.365 -0.038 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1C 1051928904 QSYXBRPHUNFWNV-GHMZBOCLSA-N 312.370 -0.932 30 20 DBED N#CCN1CCN([C@@H]2CCN(C(=O)CN3CCCC3=O)C2)CC1 1051977803 GOFWTXFOQKPXBY-CQSZACIVSA-N 319.409 -0.649 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC2(CN(Cc3cnn(C)n3)C2)C1 1053190905 HSYAHOGXNFNWQB-NSHDSACASA-N 304.354 -0.612 30 20 DBED N#CCN1CC2(C1)CN(C(=O)CCn1ccccc1=O)CCO2 1053279405 LURZQAMUKTVSSZ-UHFFFAOYSA-N 316.361 -0.325 30 20 DBED N#CCN1CC2(C1)CN(C(=O)C1CCC(C(N)=O)CC1)CCO2 1053321316 FKABLSNOKZNTMM-UHFFFAOYSA-N 320.393 -0.285 30 20 DBED C=C(C)CN1CC2(CC[C@H](CNC(=O)[C@@H]3CNC(=O)N3)O2)C1 1053655476 LZQFWQZEXUSDDD-NEPJUHHUSA-N 308.382 -0.407 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)Cn3cccc(C)c3=O)CO2)C1 1053802316 ZBLXORODRNCLIQ-AWEZNQCLSA-N 315.373 -0.251 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)c3ccc(C(N)=O)cc3)CO2)C1 1054005081 FJTDAXYYGDXCFL-CYBMUJFWSA-N 314.345 -0.118 30 20 DBED C[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1NCc1nnnn1C 1054576518 VPWGAKVXAVRSHM-JOYOIKCWSA-N 314.353 -0.340 30 20 DBED C[C@H](C(=O)N1CCN(c2ccc(C#N)nn2)CC1)n1cncn1 1055754703 ZUZXOGMYTFWVTC-LLVKDONJSA-N 312.337 -0.150 30 20 DBED C=CCOCC(=O)N[C@@]1(CO)CCCN(C(=O)c2cnn[nH]2)C1 1055833241 GUYXISHYNKKJBR-AWEZNQCLSA-N 323.353 -0.909 30 20 DBED N#Cc1cnc(N2C[C@H]3C(NC(=O)Cc4ncc[nH]4)[C@@H]3C2)cn1 1056275254 FSSUZQLFUHSNGN-GHMZBOCLSA-N 309.333 -0.135 30 20 DBED CN1C[C@H](C(=O)N2CC[C@@H](N=c3cc[nH]cc3C#N)C2)CC1=O 1056805168 KVALQIAAGXOFFG-DGCLKSJQSA-N 313.361 -0.134 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)[C@@H](C)NC(C)=O 1056884797 AEOUZHXLISYHHI-GFCCVEGCSA-N 311.382 -0.748 30 20 DBED C=CCCO[C@@H](C)C(=O)N(CCO)CCNC(=O)c1ncc[nH]1 1057144672 WQTDHQRRUPOPQX-LBPRGKRZSA-N 324.381 -0.058 30 20 DBED N#Cc1cncc(NC2CCN(C(=O)[C@@H]3CNC(=O)N3)CC2)n1 1057409505 ZZUUKISIBFOUBY-NSHDSACASA-N 315.337 -0.567 30 20 DBED Cc1cnn(C)c1C(=O)NCCN(CCO)C(=O)C#CC(C)C 1057525045 GEFYJDZAWSGHRE-UHFFFAOYSA-N 320.393 -0.061 30 20 DBED C=CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)c1nc(C)c[nH]1 1057922824 GJTOLPRPQIYACU-LBPRGKRZSA-N 324.381 -0.140 30 20 DBED CC(=O)N1CC(C(=O)N[C@@H]2CCN(c3ccnc(C#N)n3)C2)C1 1058336520 YEWVPVHJQYMZAW-GFCCVEGCSA-N 314.349 -0.479 30 20 DBED Cc1nc(N2CC[C@@H](NC(=O)[C@H]3CNC(=O)N3)C2)ccc1C#N 1058530886 BYOYECFBCIWPCJ-VXGBXAGGSA-N 314.349 -0.362 30 20 DBED C#CCOCCC(=O)NCCN(CCO)C(=O)c1nocc1C 1058822491 SLCHHQKKYNVYAH-UHFFFAOYSA-N 323.349 -0.426 30 20 DBED N#Cc1nccnc1N[C@H]1CCN(C(=O)[C@H]2CCNC(=O)C2)C1 1058872422 OTPUELBXEXEVSU-QWRGUYRKSA-N 314.349 -0.113 30 20 DBED N#Cc1cnc(NC[C@H]2CCN(C(=O)[C@@H]3CCC(=O)N3)C2)cn1 1060900473 XAFQXOZKGPXEFM-PWSUYJOCSA-N 314.349 -0.113 30 20 DBED Cn1nncc1C(=O)NC[C@@H]1CCN(c2nccnc2C#N)C1 1061592118 MELXFANBMSPGGH-JTQLQIEISA-N 312.337 -0.267 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)c1cnsn1 1061845209 FBUQGIZTHNNNBI-IUCAKERBSA-N 309.351 -0.345 30 20 DBED Cc1ccc(C#N)c(N2C[C@@H]3C[C@H]2CN3C(=O)c2nnn(C)n2)n1 1062560876 RELNKQCJFRJFFE-RYUDHWBXSA-N 324.348 -0.112 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)C(=O)NCC(F)F)CCC1 1063539668 VWTGNYVSQVMPEJ-MRVPVSSYSA-N 316.308 -0.318 30 20 DBED Cc1cnc(C(=O)N2CCO[C@H](CNC(=O)[C@H](C)C#N)C2)cn1 1064795214 FFLWITIYDMKGNK-ZYHUDNBSSA-N 317.349 -0.098 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)[C@H]2COCCO2)CCO1 1064881065 NIRSPHKASDMFKQ-CHWSQXEVSA-N 312.366 -0.288 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(C(=O)c2cc[nH]n2)CCO1 1064889875 DIRLRQXZIKMYID-GFCCVEGCSA-N 302.334 -0.220 30 20 DBED Cc1cnn(CC(=O)N2CCO[C@@H](CNC(=O)[C@@H](C)C#N)C2)c1 1064921879 KKOQZVOUVHCXDR-STQMWFEESA-N 319.365 -0.305 30 20 DBED C=CC(C)(C)C(=O)NC[C@@H]1CN(C(=O)C2(C(N)=O)CC2)CCO1 1065551296 UACZRALXEXKKLU-LLVKDONJSA-N 323.393 -0.192 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](CNC(=O)c3cccnc3)C2)nn1 1067642354 BYECPSJKRDPBJZ-OCCSQVGLSA-N 324.344 -0.030 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)c4cc[n+]([O-])cc4)C[C@@]3(C1)O2 1070751528 LQCFHLKIASECJW-ZMSDIMECSA-N 313.357 -0.132 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)CCc2ncc[nH]2)CC1 1070958481 CAYCRWSDONCDJT-UHFFFAOYSA-N 317.393 -0.374 30 20 DBED C=CCOCC(=O)N[C@@H]1CCCN(C(=O)Cc2nc[nH]n2)C1 1071378975 UGFYRAJGJNVEKG-LLVKDONJSA-N 307.354 -0.343 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(C(=O)CCCOC)C[C@H]1C 1071700971 ZSAQHCOZGDUOPQ-CHWSQXEVSA-N 323.393 -0.484 30 20 DBED C=CCOCC(=O)N1C[C@H](C)[C@@H](NC(=O)C(=O)NCC2CC2)C1 1071808304 GOFOFMTYCGKTKG-AAEUAGOBSA-N 323.393 -0.322 30 20 DBED CC#CCCCC(=O)N1C[C@H](C)[C@@H](NC(=O)CNC(N)=O)C1 1072553940 BDCZUFGBCROVHL-RYUDHWBXSA-N 308.382 -0.189 30 20 DBED C=C(C)CN1CCCO[C@H](CNC(=O)c2nnc(O)nc2O)C1 1073679727 RXNWGDUUPUAQMF-SNVBAGLBSA-N 323.353 -0.320 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(C(=O)c2cnnn2C)C[C@@H]1C 1073819692 HYLNAURGBGIQAO-NWDGAFQWSA-N 321.381 -0.016 30 20 DBED N#CCN1CCCO[C@@H](CNC(=O)[C@@H]2CCCN2C(N)=O)C1 1073911357 OIVGYCNORUFGKP-RYUDHWBXSA-N 309.370 -0.740 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CCN(C(=O)c2cnns2)CC1 1074495801 ALHSOMFAWBQUBZ-SECBINFHSA-N 323.378 -0.219 30 20 DBED C[C@@H](CCNC(=O)CSCC#N)NC(=O)Cn1nccn1 1075676725 BVXPFWMYHYFAMR-JTQLQIEISA-N 310.383 -0.454 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H](C)CCNC(=O)[C@H](C)NC(N)=O 1076267189 IMHPLMHBTFQQSX-BHDSKKPTSA-N 314.386 -0.619 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)c2c[nH]nc2[C@@H]2CCOC2)C1 1077457625 WDLUBEKQAJGUNC-MRVWCRGKSA-N 318.377 -0.288 30 20 DBED C#CCN[C@@H]1C[C@@H](NC(=O)C2CC(=O)NC(=O)C2)C12CCC2 1078748727 DNDYFXMSWUPQTB-VXGBXAGGSA-N 303.362 -0.311 30 20 DBED C=CCO[C@H](C)C(=O)N1CC(N(CC)C(=O)Cn2nccn2)C1 1079848146 MPKJQRCAWWWQKE-GFCCVEGCSA-N 321.381 -0.072 30 20 DBED C=CCOCC(=O)N1CC(N(CC)C(=O)C(=O)NCC2CC2)C1 1080371196 AQPZIQXDESBDPT-UHFFFAOYSA-N 323.393 -0.226 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CO)(NC(=O)CCCC(N)=O)CC1 1080905286 PYIWBDNQDDVIOW-LLVKDONJSA-N 324.381 -0.729 30 20 DBED CC(C)C#CC(=O)N1C[C@H](CNC(=O)c2cnns2)[C@@H](O)C1 1081297625 NGNLNZLCGIDLDI-QWRGUYRKSA-N 322.390 -0.253 30 20 DBED Cc1ncc(C(=O)NC[C@H]2CN(C(=O)C#CC(C)C)C[C@H]2O)[nH]1 1081346242 FZYULJUSSWAUNP-GXTWGEPZSA-N 318.377 -0.073 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(C(=O)c2csnn2)C[C@H]1O 1081473141 DGFCWUGBKTXEKF-ZYHUDNBSSA-N 320.374 -0.499 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CCn2cncc2C1 1083124017 DSUHXOZDKJWDBG-CWRNSKLLSA-N 314.389 -0.010 30 20 DBED Cc1nn([C@@H]2CCOC2)cc1C(=O)N[C@@H]1CN(CC#N)C[C@@H]1O 1083460905 DWLGZELMOXJQNN-BNOWGMLFSA-N 319.365 -0.549 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)Cc2cn3c(n2)CCCC3)C1 1083477726 AVEGGOWLPHAXSQ-OLZOCXBDSA-N 303.366 -0.553 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2ccc3c(c2)NC(=O)C3)C1 1083485936 ZHOQFAVYEFNAAL-OLZOCXBDSA-N 300.318 -0.520 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)[C@@H](C)N2C(=O)CCC2=O)C1 1083502042 QWKBLMMURKZDTG-UTUOFQBUSA-N 309.366 -0.739 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCc3cncn3C2)C1 1083583880 VOZHPWMVDLXAAL-YUELXQCFSA-N 302.378 -0.370 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)c2cc(OC)nc(OC)c2)C1 1083605903 WHKFMNRSGDOOKE-OLZOCXBDSA-N 319.361 -0.103 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2cc(N3CCCC3)ccn2)C1 1083612543 YNTNZJQMEOCCEV-CABCVRRESA-N 315.377 -0.020 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)c2cc(=O)c(OC)c[nH]2)C1 1083643304 BMSDLGSTVJFPKM-YPMHNXCESA-N 305.334 -0.818 30 20 DBED C#CCN[C@@H]1CCCC[C@H]1NC(=O)Cn1cnc(C(N)=O)n1 1085204415 OJZFWVWVPCPQKK-GHMZBOCLSA-N 304.354 -0.973 30 20 DBED C=CCN1CC[C@H](N[C@H]2C[C@H](CNC(=O)c3cnon3)C2)C1=O 1086508633 CHKHYIKGUCTRJE-SRVKXCTJSA-N 319.365 -0.046 30 20 DBED C#CCN[C@@H]1CN(C(=O)C2=COCCO2)C[C@H]1c1cnn(C)c1 1086965364 BTVWXMUUVWZYQC-UONOGXRCSA-N 316.361 -0.175 30 20 DBED CCN(c1ccc(C#N)nn1)[C@H](C)CNC(=O)[C@H](C)NC(N)=O 1089631582 NIXLKUGUIXKCLK-ZJUUUORDSA-N 319.369 -0.264 30 20 DBED N#CCN1CC[C@H](NC(=O)Cn2cc(C3CC3)cn2)[C@@H](O)C1 1090373511 IPSQIRYYVMBIMO-KBPBESRZSA-N 303.366 -0.165 30 20 DBED CC[C@@H](C)OCC(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1O 1090410064 UTQROCYLRJRXGA-RAIGVLPGSA-N 319.365 -0.171 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2cc3ncccn3n2)[C@H](O)C1 1090661032 XVPAPLQXNHMCDH-TZMCWYRMSA-N 313.361 -0.082 30 20 DBED C[C@@H]1CN(c2nccn3nnnc23)C[C@H]1NC(=O)C#CC1CC1 1090705078 FZJMSICPYBGNGF-ZYHUDNBSSA-N 311.349 -0.126 30 20 DBED C[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1NC(=O)CC(=O)N(C)C 1090833642 WFFDMNDWTRKLTP-ZYHUDNBSSA-N 316.365 -0.233 30 20 DBED C#CCNC1CC(CNC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 1091158688 HZTSZFXPZFZLAB-XIVSLSHWSA-N 301.350 -0.517 30 20 DBED COCC(=O)N[C@@H]1CCN(c2ncc(C#N)cc2F)C[C@@H]1O 1092126547 ODXUZBGQIGLORM-NEPJUHHUSA-N 308.313 -0.205 30 20 DBED COCCOCC(=O)N1CCN(c2ccc(C#N)nn2)CC1 1093151478 RSHGRSQKIKDLCT-UHFFFAOYSA-N 305.338 -0.340 30 20 DBED C#CCNC(=O)CC(=O)NCCNc1cc(C)c([N+](=O)[O-])cn1 1093558480 XNIABBXMCHQFCN-UHFFFAOYSA-N 319.321 -0.034 30 20 DBED Cn1cc(C(=O)NCCNc2ccc(C#N)nc2)n(C)c1=O 1093684203 XXTOXBJYDFTSQD-UHFFFAOYSA-N 300.322 -0.168 30 20 DBED N#Cc1ccc(NCCNC(=O)[C@@H]2CCCN(C(N)=O)C2)nn1 1093992987 WVZVCYYEROBPEI-SNVBAGLBSA-N 317.353 -0.333 30 20 DBED Cc1cc(C#N)nc(NCCNC(=O)[C@H]2CCC(=O)N2C)n1 1094058588 KXRVBMWPTGKKKI-LLVKDONJSA-N 302.338 -0.194 30 20 DBED Cc1cc(=NCCNC(=O)CCS(C)(=O)=O)c(C#N)c[nH]1 1094239419 YBDXZGZFTPMXBC-UHFFFAOYSA-N 310.379 -0.354 30 20 DBED C=CCN1CC(n2cc(CNC(=O)c3cncnc3O)nn2)C1 1094299637 IWNVSQMBXIFKDD-UHFFFAOYSA-N 315.337 -0.254 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)[C@H](C)n3cncn3)CC2=O)C1 1094726300 LEPZUXLQKHHRDF-RYUDHWBXSA-N 318.381 -0.574 30 20 DBED CC#CCN1CC(N2C[C@@H](NC(=O)c3cncn3C)CC2=O)C1 1094753394 JLADTUZJEXDMBA-LBPRGKRZSA-N 315.377 -0.542 30 20 DBED CC[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1 1094759966 CUAGZHPZBZTAHJ-BNOWGMLFSA-N 320.393 -0.274 30 20 DBED C#CCCN1CC(N2C[C@@H](NC(=O)Cc3cnoc3)CC2=O)C1 1094778014 IUPSVOLVNGWZGV-ZDUSSCGKSA-N 316.361 -0.358 30 20 DBED N#CCN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN1CCOCC1=O)C2 1094938544 ZBSRWMKLTFTHMP-AVGNSLFASA-N 306.366 -0.662 30 20 DBED CN1C(=O)CN(CC(=O)N2C[C@H]3C[C@@H](NCC#N)C[C@H]2C3)C1=O 1095036698 FNYAWORUHKIJJQ-QJPTWQEYSA-N 319.365 -0.627 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H]1CCc2nnnn2CC1 1096040476 LUYWHOJHCJHBID-MQYQWHSLSA-N 314.393 -0.020 30 20 DBED C[C@@H](CNC(=O)CCn1cnnn1)Nc1ccc(C#N)cn1 1098010512 ACEZIUPDVRMMOW-JTQLQIEISA-N 300.326 -0.053 30 20 DBED Cc1cc(=O)c(C(=O)NC[C@H](C)N=c2cc[nH]c(C#N)n2)c[nH]1 1098039446 KUKIIQIVFFOKQY-JTQLQIEISA-N 312.333 -0.003 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H](C)Nc1ccc2nnnn2n1 1098060903 CQQKHRITCPTUIZ-VHSXEESVSA-N 303.326 -0.526 30 20 DBED C[C@H](CNC(=O)c1cccn2nnnc12)N=c1cc[nH]c(C#N)n1 1098081343 IDODVRARSXLPKV-SECBINFHSA-N 323.320 -0.562 30 20 DBED C[C@H](CNC(=O)[C@@H]1CCN(C)C1=O)N=c1cc[nH]c(C#N)n1 1098194006 MXZMRSAZADSVIY-ZJUUUORDSA-N 302.338 -0.835 30 20 DBED C[C@@H](CNC(=O)c1cn(C)c(O)n1)N=c1cc[nH]c(C#N)n1 1098240553 AURKIBVQJOETJH-QMMMGPOBSA-N 301.310 -0.560 30 20 DBED C[C@@H](CNC(=O)C[C@H]1CCCC(=O)N1)N=c1cc[nH]c(C#N)n1 1098410559 BEDNUYFNJLXQEX-WDEREUQCSA-N 316.365 -0.254 30 20 DBED C=CCN(CCO)C1CCN(C(=O)[C@@H]2CC[C@@H]2C(N)=O)CC1 1098447453 LDKDAMGAQURTOT-UONOGXRCSA-N 309.410 -0.031 30 20 DBED N#CCNCc1cn([C@@H]2CCN(C(=O)c3cnco3)C2)nn1 1098695391 VMAGNSXPTKOESB-LLVKDONJSA-N 301.310 -0.034 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)[C@H](O)C1 1099776256 PELGNTKTJZAKGG-DZGCQCFKSA-N 316.361 -0.299 30 20 DBED C=CCN1CC[C@H](NC(=O)CCn2ccccc2=O)[C@@H](O)C1 1099858918 TYCSBDHATRLXCJ-KBPBESRZSA-N 305.378 -0.024 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CCc2nc(C)no2)[C@H](O)C1 1099941559 CTDZGEINHGGFKX-CHWSQXEVSA-N 306.366 -0.115 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)[C@@H](C)n2cncn2)C1 1100259119 XQKNQQZHCRVMHA-PNESKVBLSA-N 318.381 -0.927 30 20 DBED C#CCNC(=O)[C@H](C)NC1CC(CNC(=O)c2csnn2)C1 1100542819 YNDJAOSFTGWBPM-WHXUTIOJSA-N 321.406 -0.226 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)CN2CC[C@H](C)C2)C1 1100678723 VFXKYXLRADPPFX-NFOMZHRRSA-N 320.437 -0.438 30 20 DBED C=CCCNC1CC(CNC(=O)[C@H](C)NS(C)(=O)=O)C1 1100706780 XVHDVRHMYNFZHX-UNXYVOJBSA-N 303.428 -0.015 30 20 DBED N#Cc1nccc(N2CCCC[C@H](NC(=O)CC(N)=O)C2)n1 1102862792 FHTXFQAGDZWSFX-JTQLQIEISA-N 302.338 -0.301 30 20 DBED CC[C@@H](CNC(=O)[C@@H]1[C@H]2COC[C@H]21)N=c1cc[nH]c(C#N)n1 1103266153 GLRJCZLOUVDEEV-KZWBYHQPSA-N 301.350 -0.031 30 20 DBED C[C@@H]1CN(C(=O)c2cc(=O)n(C)cn2)C[C@H]1CCNCC#N 1104309375 YETQRBOJDZBHJN-VXGBXAGGSA-N 303.366 -0.008 30 20 DBED C=CCNCC[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@H]1C 1104803998 GNGQFHCQGKNKDE-VXGBXAGGSA-N 308.382 -0.202 30 20 DBED CC(C)[C@@H](CNC(=O)CCCC(N)=O)N=c1cc[nH]c(C#N)n1 1105200769 QMKPROZZEGKJJC-LLVKDONJSA-N 318.381 -0.022 30 20 DBED C#CCCCCC(=O)N1CC(n2cc(CNCCO)nn2)C1 1105219808 RBYCHEYQHVXDSD-UHFFFAOYSA-N 305.382 -0.063 30 20 DBED C#CCNCc1cn(C2CN(C(=O)c3cnnc(O)c3)C2)nn1 1105264361 GGUCMTSAMHAOAR-UHFFFAOYSA-N 313.321 -0.806 30 20 DBED C[C@H](C(=O)NC[C@H](O)CNc1nccnc1C#N)n1cccn1 1105766793 FOSAKUHAIMGGHD-GHMZBOCLSA-N 315.337 -0.305 30 20 DBED COCC1(C(=O)NC[C@@H](O)CNc2nccnc2C#N)CC1 1106022990 KTCVOPAFJWJBHN-JTQLQIEISA-N 305.338 -0.336 30 20 DBED CCC(=O)N[C@@H](C)C(=O)NC[C@@H](O)CNc1ccc(C#N)nn1 1106140578 MCSBEDILYTVTHX-ONGXEEELSA-N 320.353 -0.848 30 20 DBED C=CCOCCNC[C@@H]1CN(C(=O)[C@@H]2CN(C)C(=O)N2)C[C@H]1C 1106524640 SDPCRWCFRBTWDC-MCIONIFRSA-N 324.425 -0.103 30 20 DBED CCN(CCN=c1cc[nH]cc1C#N)C(=O)Cn1ncnn1 1106851575 IVVLTLOLKHSQEN-UHFFFAOYSA-N 300.326 -0.678 30 20 DBED N#Cc1nccnc1NC/C=C/CNC(=O)[C@@H]1CCC(=O)N1 1107280828 VTFGJSKKIPBPTM-YOLVWIGZSA-N 300.322 -0.289 30 20 DBED N#Cc1nccnc1NC/C=C/CNC(=O)[C@@H]1CCNC1=O 1107452721 UADYBIJMQBKATI-YOLVWIGZSA-N 300.322 -0.431 30 20 DBED N#Cc1cccnc1NC/C=C/CNC(=O)[C@H]1CNC(=O)N1 1107489301 BCNZBSBMRGFXGZ-FMBMQGQPSA-N 300.322 -0.281 30 20 DBED N#CCN1CC[C@@]2(CNC(=O)C[C@H]3CC(=O)NC3=O)CCC[C@@H]12 1107658058 WFDKQZVRPKLDPL-HWWQOWPSSA-N 318.377 -0.076 30 20 DBED C=CCOCCN1CCO[C@](C)(CNC(=O)CNC(C)=O)C1 1107696933 WLQDERNDEAHZTF-OAHLLOKOSA-N 313.398 -0.468 30 20 DBED C=CCCO[C@@H](C)C(=O)NC[C@]1(C)CN(CC(N)=O)CCO1 1107792052 FUJHRJQQRTWEOC-SWLSCSKDSA-N 313.398 -0.340 30 20 DBED CO[C@H](C)CC(=O)N1CCN(CC#N)[C@H]2CS(=O)(=O)C[C@H]21 1108463811 UNZUJBFWDIGTEM-GRYCIOLGSA-N 315.395 -0.755 30 20 DBED COc1c(C(=O)N[C@@H](C)CN=c2cc[nH]c(C#N)n2)cnn1C 1108467173 IIGNFBJLOLSYAJ-VIFPVBQESA-N 315.337 -0.257 30 20 DBED CCCN(C)CC(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1 1108587650 SWPJZBJKELPRSV-LBPRGKRZSA-N 307.398 -0.747 30 20 DBED C[C@@H](CN(C)c1nccnc1C#N)NC(=O)[C@@]1(C)CNC(=O)C1 1109155193 JEFWDHSONHHXCM-ZUZCIYMTSA-N 316.365 -0.185 30 20 DBED C[C@H](CN(C)c1cncc(C#N)n1)NC(=O)[C@H]1CCC(=O)NC1 1109305957 WSLVQEXAIWAIHB-MNOVXSKESA-N 316.365 -0.185 30 20 DBED CC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H](C)NC(=O)COC 1109317984 QLQDZUFHHGPIJX-CRWXNKLISA-N 307.394 -0.118 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H](C)CC(N)=O 1109599928 ZZDYDDIVRYOQGY-MQYQWHSLSA-N 307.394 -0.131 30 20 DBED N#Cc1ccc(NC[C@@H](NC(=O)CNC(N)=O)C2CC2)cn1 1109753525 BIBAXVUMSFPPEI-GFCCVEGCSA-N 302.338 -0.072 30 20 DBED CN1CCOC[C@@H]1C(=O)NCC1(Nc2ccnc(C#N)n2)CC1 1110110651 YOFFTCGAAJECJO-LLVKDONJSA-N 316.365 -0.260 30 20 DBED CCC(=O)NCC(=O)N[C@]1(C)CCN(c2ccnc(C#N)n2)C1 1110733063 CWTNAIFKIQARLG-OAHLLOKOSA-N 316.365 -0.041 30 20 DBED Cc1nc(N2C[C@H](O)[C@@H](N(C)C(=O)CC(N)=O)C2)ccc1C#N 1111176697 OUWZQRRVUHEBTN-RYUDHWBXSA-N 317.349 -0.855 30 20 DBED N#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCCN1C(=O)CNC1=O 1111379811 MKNKYEZUUJYTST-UTUOFQBUSA-N 319.365 -0.437 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1111489492 ATTZRZDJKJNMAD-DGAVXFQQSA-N 320.393 -0.061 30 20 DBED CN(C)CCC(=O)N1CCO[C@H](CNc2ccc(C#N)nn2)C1 1111962100 OKPKKIWEDYEJPQ-CYBMUJFWSA-N 318.381 -0.061 30 20 DBED CN(CCCN(C)c1cncc(C#N)n1)C(=O)[C@@H]1CCC(=O)N1 1112105354 HKZGCKUAIYBIJQ-LBPRGKRZSA-N 316.365 -0.088 30 20 DBED Cc1nsc(NCC2(NC(=O)C(N)=O)CCOCC2)c1C#N 1112262934 MNJBIGLADWLPPF-UHFFFAOYSA-N 323.378 -0.114 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)c2cc(=O)n(C)o2)CC1 1112803965 DADGOJQHXIDEKL-NSHDSACASA-N 322.365 -0.573 30 20 DBED COCC#CCN1CCN(C(=O)CCNC(=O)[C@H]2C[C@@H]2C)CC1 1112910751 KGZWGLHIUZIQTI-GJZGRUSLSA-N 321.421 -0.057 30 20 DBED C[C@H](N=c1cc[nH]c(C#N)n1)[C@H](C)NC(=O)CCn1cnnn1 1113124466 NOPKPKNUPLKDDR-UWVGGRQHSA-N 315.341 -0.848 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)[C@H]2CCN(C)C2=O)CC1 1113221661 ZWPWOBUUTAMNEW-OLZOCXBDSA-N 322.409 -0.700 30 20 DBED Cc1nn[nH]c1C(=O)N[C@H](C)[C@@H](C)N=c1cc[nH]c(C#N)n1 1113249368 RMZDKGOVGREYLC-HTQZYQBOSA-N 300.326 -0.184 30 20 DBED C=CCn1cc(C(=O)N2CCN(CC(=O)N(C)CC)CC2)nn1 1113413221 NNIWBOQLIXKWAS-UHFFFAOYSA-N 320.397 -0.300 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)c3cc(CC)[nH]n3)[C@@H]2C1 1113889007 SUMGWJCTIRPAJM-VXGBXAGGSA-N 315.377 -0.619 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)c3cscn3)[C@H]2C1 1114012710 JZKAFRZKZDRLDO-DCAQKATOSA-N 318.402 -0.059 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)Cc3n[nH]c(C)n3)[C@H]2C1 1114246637 WOBNKGBYNNMBHW-QWRGUYRKSA-N 318.381 -0.996 30 20 DBED C=CCCCN1C[C@@H]2C(NC(=O)CN(C)S(C)(=O)=O)[C@H]2C1 1114363651 HRRYJPLEFPZAJA-RYUDHWBXSA-N 315.439 -0.110 30 20 DBED CC1(C)CN(c2ncccc2C#N)C[C@@H]1NC(=O)CNC(N)=O 1114424619 ZMEZSSGCKSNEEW-NSHDSACASA-N 316.365 -0.047 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)[C@]3(C)CCNC3=O)[C@@H]2C1 1114826218 GFXCNOWOCNZXAR-XHBSWPGZSA-N 305.378 -0.791 30 20 DBED C=CCOCCN1C[C@H]2[C@H](NC(=O)C[C@H]3CCC(=O)N3)[C@H]2C1 1114959429 CJWYJADQQJDFLV-FOCJUVANSA-N 307.394 -0.096 30 20 DBED C#CCCN1C[C@H]2[C@H](NC(=O)C(=O)NCC(F)(F)F)[C@H]2C1 1115041327 IBMWOFKRXZROCW-MYJAWHEDSA-N 303.284 -0.265 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)CN(C)CCC)[C@H]2C1 1115150496 XMLWDJCVMYFYCU-VIKVFOODSA-N 308.426 -0.323 30 20 DBED CN(C)CCC(=O)NCCOCCN(C)c1cnc(C#N)cn1 1115251230 RHQFNKXQFIAPAB-UHFFFAOYSA-N 320.397 -0.131 30 20 DBED N#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)Cc3ccc[nH]3)[C@H]2C1 1115269661 KSTWQGQAPQDZDD-JYAVWHMHSA-N 301.350 -0.757 30 20 DBED N#CCN1C[C@H]2C(NC(=O)CCNC(=O)[C@@H]3CCCO3)[C@@H]2C1 1115350341 RKKFDTGZZVKJMB-UTUOFQBUSA-N 306.366 -0.758 30 20 DBED N#CCNC1(CNC(=O)C2CC(=O)NC(=O)C2)CCCCC1 1115771754 DJCTVKDIOMDTSQ-UHFFFAOYSA-N 306.366 -0.029 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCC(C)(C)OC)C1=O 1117429147 XHKMXRPTSHWYAR-LLVKDONJSA-N 311.382 -0.227 30 20 DBED C=C[C@H]1CCCCN1C(=O)C(=O)N(C)CC(=O)N1CCOCC1 1117969914 ZKYVWDCCVTVYOS-ZDUSSCGKSA-N 323.393 -0.129 30 20 DBED N#Cc1cncc(N[C@H](CO)CNC(=O)C2CCC(O)CC2)n1 1121496496 GWHODCAUZRUMKQ-YDGIUTOCSA-N 319.365 -0.212 30 20 DBED C=CCOCCNC1CC2(C1)CC(NC(=O)[C@H]1CNC(=O)N1)C2 1121654545 WZVOEJOAGCFIFC-HTVNSPLZSA-N 322.409 -0.113 30 20 DBED CO[C@H](C(=O)NC[C@H](CO)Nc1cnc(C#N)cn1)C(C)C 1122445483 QAPYOWWGYMHIFP-YPMHNXCESA-N 307.354 -0.092 30 20 DBED CC1(C)CN(C(=O)CNC(N)=O)C[C@@H]1N=c1cc[nH]cc1C#N 1123901061 IOUZFBHPQIOFLF-LBPRGKRZSA-N 316.365 -0.308 30 20 DBED CN(C[C@H](O)CNc1cncc(C#N)n1)C(=O)C1=COCCO1 1124071466 ADUUCXXOEUHIMX-LLVKDONJSA-N 319.321 -0.532 30 20 DBED CN(C[C@@H](O)CNc1cncc(C#N)n1)C(=O)Cc1ncc[nH]1 1124485229 ZDECUTKVAAPQON-NSHDSACASA-N 315.337 -0.455 30 20 DBED C#CCO[C@H](C)C(=O)NCCNCc1nnc2n1CCOC2 1127039446 KUIMUQWYYOMQDN-LLVKDONJSA-N 307.354 -0.948 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)[C@@H](C)NC(=O)CC)C1=O 1127945855 CUQQTBZTURVGAL-NEPJUHHUSA-N 310.398 -0.606 30 20 DBED CC#CCN[C@@H]1CN(C(=O)CC2(O)CCC2)C[C@@H]1n1ccnn1 1129829623 KWQMVKZNPGEZQH-KGLIPLIRSA-N 317.393 -0.052 30 20 DBED C#CCN1C[C@H](NC(=O)CCc2nnc(O)nc2O)CC[C@@H]1C 1132149317 HYZVOLJQAKEXOY-WDEREUQCSA-N 319.365 -0.182 30 20 DBED C[C@@H]1CC[C@H](NC(=O)CCCN(C)C)CN1CC(=O)NCC#N 1132264713 ASTGXRRSIIFDGR-KGLIPLIRSA-N 323.441 -0.063 30 20 DBED C[C@@H](C[C@H](C)NC(=O)C1=COCCO1)NCC(=O)NCC#N 1133580570 BZPCOCKCQGLABB-QWRGUYRKSA-N 310.354 -0.613 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)NCCNCc1ncnn1C 1134816298 BQFMNVIQUOBBSK-GFCCVEGCSA-N 308.386 -0.508 30 20 DBED C=CCn1cc(C(=O)NCCNCc2nc(CC)no2)nn1 1134973201 IADOBKOHPSAAGO-UHFFFAOYSA-N 305.342 -0.071 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)c1ccc(C(N)=O)cc1 1150766121 URULOKWUUWAPDM-NSHDSACASA-N 318.377 -0.204 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)[C@@H]1CCN(C)[C@@H]1C 1153446078 NVBNDQKSCXNTEI-MGPQQGTHSA-N 323.441 -0.207 30 20 DBED COCC1(CNC(=O)[C@H](C)C#N)CCN([C@H](C)C(N)=O)CC1 1162165828 ONMMLXSJVJNDTN-VXGBXAGGSA-N 310.398 -0.135 30 20 DBED N#CCNCC1(CCNC(=O)[C@@H]2Cc3cncn3C(=O)N2)CC1 1166341591 HQXFVXRJLZEGCL-LBPRGKRZSA-N 316.365 -0.235 30 20 DBED C#CCNC(=O)CNCC1(CCNC(=O)Cc2cnc[nH]2)CC1 1167331448 LWTHAQRKHMZRKK-UHFFFAOYSA-N 317.393 -0.422 30 20 DBED C#CCNCCCC[C@@H](C)NC(=O)CN1CCC(=O)NC1=O 1176050153 PUOBRYHFLIFTLH-GFCCVEGCSA-N 308.382 -0.174 30 20 DBED C#CCNCCCC[C@H](C)NC(=O)c1cc(=O)n2[nH]cnc2n1 1176144339 OWEFNHOPQZIGBK-NSHDSACASA-N 316.365 -0.071 30 20 DBED CNC(=O)CC(=O)N1C[C@H]2CC[C@H]1[C@@H](CNCC#CCOC)C2 1177715215 FCKGMSAZBVCSPL-ZNMIVQPWSA-N 321.421 -0.011 30 20 DBED C#CCCNCCCCCCNC(=O)CNC(=O)CNC(C)=O 1178846859 VOMZDZBCTSMSDU-UHFFFAOYSA-N 324.425 -0.472 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N[C@@H]1CCN(C(=O)C(F)F)C1 1180587679 PYISUBOLYUISEC-DTWKUNHWSA-N 318.324 -0.158 30 20 DBED C[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@@]1(C)CNCc1nnn(C)n1 1180914486 SDWVGKPWRTVGOQ-JTNHKYCSSA-N 305.386 -0.056 30 20 DBED CC#CCNCc1cn([C@H]2CCCN(C(=O)C(N)=O)C2)nn1 1186001404 VZGYJFGLBZUKIU-LBPRGKRZSA-N 304.354 -0.960 30 20 DBED C=CCOCCN[C@@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C1 1186305194 XYBNBAAFDQCLGP-GFCCVEGCSA-N 309.366 -0.568 30 20 DBED C=CCCC(=O)N[C@@H]1CN(CCCN2C(=O)CNC2=O)C[C@H]1O 1191734148 MJNNPMXSNIHDSB-VXGBXAGGSA-N 324.381 -0.944 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2cn(CC)nn2)C1 1193108834 BMHMZXNBYOZALD-LBPRGKRZSA-N 318.381 -0.806 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)CCc2ccn(C)n2)C1 1193416112 XFSPSBCUFPEGAP-HUUCEWRRSA-N 320.393 -0.836 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C2(C3CC3)CC2)C1 1193977976 IEPROHJVVLJKTK-CHWSQXEVSA-N 305.378 -0.913 30 20 DBED N#CCNC[C@@H]1CN(C(=O)c2ccoc2CC(N)=O)CCCO1 1201251507 ASSPEFSPQAIFIY-LLVKDONJSA-N 320.349 -0.348 30 20 DBED C#CCNC[C@@H]1CN(C(=O)CNC(=O)C(C)(C)C)CCCO1 1202049501 OJXWSYMISJHJDR-CYBMUJFWSA-N 309.410 -0.011 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)CCc2cnn[nH]2)CC1 1202553226 XMMPKJMVGLTAKU-UHFFFAOYSA-N 320.397 -0.380 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC(CN[C@H]2CCNC2=O)CC1 1205264874 JOZLQHIVFQIYHY-JSGCOSHPSA-N 307.394 -0.259 30 20 DBED C#CCNCC1CCN(C(=O)CCNS(C)(=O)=O)CC1 1205416129 ZMJINIFVVVFUSI-UHFFFAOYSA-N 301.412 -0.613 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)CNC(=O)CCC)[C@H](C)C1 1206371442 AJLUCPSDIHLAMF-CHWSQXEVSA-N 322.409 -0.911 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)CCCC(=O)NC)C1 1207878175 PYBFTSUBSXPRJU-ZDUSSCGKSA-N 324.425 -0.215 30 20 DBED CCn1cc(CC(=O)N[C@@H]2CN(CC#CCOC)C[C@H]2C)nn1 1208051535 NBCKAWRSYGFDRM-UKRRQHHQSA-N 319.409 -0.073 30 20 DBED CN(C)C1(C(=O)N2CCC[C@@H](NCC(=O)NCC#N)C2)CCC1 1208329051 NKXCNGPLAXRCKB-CYBMUJFWSA-N 321.425 -0.309 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)[C@@H]2CCOC2)[C@H](OC)C1 1211972406 LNISPSLYFHMEJY-JHJVBQTASA-N 311.382 -0.860 30 20 DBED C=CCCN[C@@H]1CN(C(=O)CN(C)S(C)(=O)=O)C[C@H]1C 1214766312 TWMOOUAKSNFBSZ-VXGBXAGGSA-N 303.428 -0.110 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CNC(=O)C1CCC1 1219050727 LKXSUNYLKVWZPT-LSDHHAIUSA-N 319.405 -0.162 30 20 DBED N#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C2CCCCC2)C1 1219109973 AFKJRBVJQVIUME-OLZOCXBDSA-N 308.382 -0.632 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C[C@@H](C)C2CC2)C1 1221107332 FSYKLQCJKIXFRO-BNOWGMLFSA-N 309.410 -0.114 30 20 DBED CC(C)C#CC(=O)N1C[C@H]2CCN(Cc3nnnn3C)C[C@H]21 1221530192 ZCFVVHFEQSLAMR-CHWSQXEVSA-N 302.382 -0.098 30 20 DBED N#CCNC(=O)CN1CC[C@@H]2CN(C(=O)Cc3ccco3)[C@@H]2C1 1221883168 SDVDIIXYJFGKIL-TZMCWYRMSA-N 316.361 -0.005 30 20 DBED C=CCO[C@H](C)C(=O)N1CCC[C@@H](NCC(=O)NCC#N)C1 1222067763 MMFFRYYTWGTATC-CHWSQXEVSA-N 308.382 -0.202 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCCN(C(=O)c2nonc2C)C1 1222104940 NYKATSUCKHLCQO-NWDGAFQWSA-N 319.365 -0.290 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)C[C@@H]2COC(=O)C2)CC1 1226866207 DWJMMJFZRGGHLH-LBPRGKRZSA-N 321.377 -0.730 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1csnn1 1227776859 WLYYOXQJWJYYDR-GHMZBOCLSA-N 321.406 -0.082 30 20 DBED C=C(C)CCN1CCC(NC(=O)CNC(=O)CNC(C)=O)CC1 1228032927 NTNDUSPXYALQEZ-UHFFFAOYSA-N 324.425 -0.215 30 20 DBED C=CCn1cc(C(=O)N2CCC[C@@H](CS(N)(=O)=O)C2)nn1 1261498677 MWOVNKJDOCIGMA-SNVBAGLBSA-N 313.383 -0.395 30 20 DBED CO[C@H]1CCN(C(=O)C(=O)N2CCN(CCC#N)CC2)C[C@@H]1C 1261872844 CKVJARFMSSQJKD-KBPBESRZSA-N 322.409 -0.072 30 20 DBED C#C[C@H](NC(=O)C(=O)NCCCn1cncn1)[C@H]1CCCO1 1261921941 JYJNTRKKMAFFGJ-NWDGAFQWSA-N 305.338 -0.919 30 20 DBED COC[C@H](CS(=O)(=O)NC1CCN(CC#N)CC1)OC 1262029452 YXDNKRMLOGWYQV-GFCCVEGCSA-N 305.400 -0.445 30 20 DBED C=CCNC(=O)Cn1nnnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1262409671 HDTYVHHGERYSRT-RISCZKNCSA-N 322.369 -0.641 30 20 DBED C=CCN(C(=O)c1cc(C(N)=O)c[nH]1)[C@H]1CCS(=O)(=O)C1 1319006972 YFZZJSZYORESDA-JTQLQIEISA-N 311.363 -0.071 30 20 DBED CCCNC(=O)CNC(=O)C(=O)Nc1cc(C)n(CCC#N)n1 1319785023 XIDWDXPEZWUMQM-UHFFFAOYSA-N 320.353 -0.314 30 20 DBED C[C@H]1CCCN(CCNC(=O)C(=O)N2CCO[C@H](C#N)C2)C1 1321508998 NMJRBKZQNPFVKN-QWHCGFSZSA-N 308.382 -0.415 30 20 DBED N#CC1(NC(=O)COC(=O)[C@H]2CCS(=O)(=O)C2)CCC1 1322591492 KSCCSEWYJAFEIL-VIFPVBQESA-N 300.336 -0.473 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)NC[C@H]2COC3(CCCC3)O2)CCO1 1322916748 QSIVUQMJHHBDQM-RYUDHWBXSA-N 323.349 -0.461 30 20 DBED N#CCNC(=O)CNC(=O)NC[C@@H]1CCC2(CCOCC2)[C@@H]1O 1323413743 NGLHPLRXBRNLJL-WCQYABFASA-N 324.381 -0.507 30 20 DBED N#Cc1ccc(NC(=O)C(=O)N2CCC(OCCO)CC2)nc1 1324502293 JYYIKEWWHKHZIM-UHFFFAOYSA-N 318.333 -0.108 30 20 DBED C=CC1CCN(C(=O)C(=O)N2CCN(C[C@H](C)O)CC2)CC1 1325229926 RJCWXPLTHUGDAO-ZDUSSCGKSA-N 309.410 -0.064 30 20 DBED N#CCOc1ccc(NC(=O)C(=O)N2CCCNC(=O)C2)cc1 1329767119 ZMIISFGZSRVSHR-UHFFFAOYSA-N 316.317 -0.124 30 20 DBED CN(CCNC(=O)C(=O)Nc1cnn(CC#N)c1)CC(F)F 1331662099 DSXSVGOQTQZTLS-UHFFFAOYSA-N 314.296 -0.342 30 20 DBED C=CCC1(O)CCN(C(=O)C(=O)N2CCNC(=O)[C@H]2C)CC1 1338026045 YHVIRFKZQVLPCY-LLVKDONJSA-N 309.366 -0.737 30 20 DBED C#CCN1CCC[C@H](NC(=O)C(=O)Nc2cncnc2C)C1 1338317553 BIKKMCPBTCPMHJ-LBPRGKRZSA-N 301.350 -0.063 30 20 DBED C=C(C)[C@@H]1OCC[C@H]1Cn1nnnc1N1CC(=O)N[C@@H](C)C1 1344129150 BJGQBWZWAYWCJI-GVXVVHGQSA-N 306.370 -0.021 30 20 DBED CN(C(=O)CCn1cc(C#N)c(O)nc1=O)[C@@H]1CCCC[C@H]1O 1363412699 UZWPASPGBUYGIE-VXGBXAGGSA-N 320.349 -0.027 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CCS(C)(=O)=O 1374933816 PQQBNKQLNWVLCX-DCAQKATOSA-N 313.379 -0.608 30 20 DBED CNC(=O)NC(=O)CN(C)C1CCN(C(=O)[C@@H](C)C#N)CC1 1381976862 WTVYKVJJRWEKJJ-JTQLQIEISA-N 309.370 -0.476 30 20 DBED CCCNC(=O)CNCC1(O)CCN(C(=O)[C@H](C)C#N)CC1 1393763381 IQORXGMWLWVBTM-GFCCVEGCSA-N 310.398 -0.385 30 20 DBED C=C(Cl)CNC[C@@H]1CCCN1C(=O)[C@@H]1CC(=O)NC(=O)N1 1402054832 MRIXEVLAGZQSAY-UWVGGRQHSA-N 314.773 -0.082 30 20 DBED C=C(Cl)CN1CC(CNC(=O)Cn2cnc(C(N)=O)n2)C1 1404919580 AIAGNJBTQMJCCV-UHFFFAOYSA-N 312.761 -0.823 30 20 DBED CCC(=O)NCC(=O)N(C)CCNC(=O)c1cc(C#N)c[nH]1 1408544520 CNJTZYLGWYKRKP-UHFFFAOYSA-N 305.338 -0.399 30 20 DBED CC(C)Cn1ccc(C(=O)NC[C@@H](O)CNC(=O)[C@@H](C)C#N)n1 1410133195 OOUCHMVJRRUPOE-RYUDHWBXSA-N 321.381 -0.094 30 20 DBED N#Cc1ncn(CC(=O)NC2CCN(C[C@@H]3CCOC3)CC2)n1 1412574047 HFOPEMXHYQVYNM-LBPRGKRZSA-N 318.381 -0.233 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(CC(=O)N2CCO[C@H](C)C2)CC1 1415821765 ZNWFZRPDKPRTQB-QWHCGFSZSA-N 308.382 -0.462 30 20 DBED CO[C@H](C)C(=O)NC[C@@H](O)CN(C)C(=O)c1cc(C#N)c[nH]1 1425779620 SJIDAJMCJIMVTN-MWLCHTKSSA-N 308.338 -0.530 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)[C@@H](C)CN2CCOCC2)CC1 1432299458 XZAUOGDTTRNURN-STQMWFEESA-N 322.409 -0.121 30 20 DBED Cc1ccc(CC(=O)NC[C@@H](O)CNC(=O)[C@H](C)C#N)cn1 1433294935 ISNAHPOVPCDBEU-ZWNOBZJWSA-N 304.350 -0.315 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CCN(C(=O)CN2CCCNC2=O)C1 1446648405 ZOIGEMKMWFXIOD-RYUDHWBXSA-N 321.381 -0.379 30 20 DBED C[C@@H](C#N)C(=O)N1CCCCC[C@H]1CNC(=O)Cn1ncnn1 1450288223 LIMVVNPPIBRDJC-RYUDHWBXSA-N 319.369 -0.280 30 20 DBED CN(C[C@H](O)CNCc1ccc(C#N)s1)C(=O)c1cnn[nH]1 1486287838 GGHQURYRXQKNJJ-SECBINFHSA-N 320.378 -0.039 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H](C)CNC(=O)CN(C)S(C)(=O)=O 1486894290 JZQAEPOXZUNDMO-VHSXEESVSA-N 318.399 -0.999 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1cnn2cccnc12 1501591567 LORXMCHKNSDEAU-ZJUUUORDSA-N 316.321 -0.904 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)CC1 1535883524 AIQDBTWZIHHFPX-MROQNXINSA-N 321.377 -0.037 30 20 DBED CC#CC[C@H](N)C(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 1574963485 VKWAVNMXQFZCCY-OLZOCXBDSA-N 313.423 -0.942 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H](C)CCNCCc1cnn[nH]1 1574985542 GAUNKUZNRRUWGW-HIFRSBDPSA-N 318.425 -0.071 30 20 DBED N#Cc1cn(CC(=O)N[C@@H]2CC[C@H]3CNC[C@@H]3C2)c(=O)nc1O 1580081035 PRLOHGNJNPBXEL-JBLDHEPKSA-N 317.349 -0.675 30 20 DBED C=CCCC[C@@H](NC(=O)c1cnn(C[C@@H](O)CO)c1)C(=O)O 1588798023 RJCKDOUAMYNRAA-VXGBXAGGSA-N 311.338 -0.224 30 20 DBED COC(=O)[C@@H]1[C@H]2CN(c3cnc(-c4nn[nH]n4)c(C#N)n3)C[C@H]21 1591282489 ZJYRKPWOAZCGKQ-MTBHXBHISA-N 312.293 -0.616 30 20 DBED N#Cc1ncc(N2C[C@@H]3C[C@H]2C[S@]3=O)nc1-c1nn[nH]n1 1592708296 HGRNHBOPPRXUJH-NTWVJFNPSA-N 302.323 -0.762 30 20 DBED N#Cc1ncc(NC[C@@H](O)C(F)(F)F)nc1-c1nn[nH]n1 1606398218 RCBFJOHATVNTBQ-RXMQYKEDSA-N 300.204 -0.137 30 20 DBED COC(=O)CN(CC#N)C(=O)CCCn1ccc(C(=O)O)n1 1606463834 HGHIRKRGXQCZJO-UHFFFAOYSA-N 308.294 -0.113 30 20 DBED N#Cc1ncn(CC(=O)N[C@H](Cc2ccccc2O)C(=O)O)n1 1608225337 KXWHKCYXGXAWIU-SNVBAGLBSA-N 315.289 -0.333 30 20 DBED C#C[C@H](NS(=O)(=O)c1cnn(CC(=O)O)c1)[C@H]1CCCO1 1609058357 XPQJMXAKGGKGHW-WDEREUQCSA-N 313.335 -0.573 30 20 DBED C[C@H](CC#N)NC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 1649699542 GKIRHWBAIGBTAV-VWYCJHECSA-N 313.379 -0.560 30 20 DBED CC/C=C(\C)C(=O)NCCN1CCN(CC(=O)NCC#N)CC1 1752364135 YQPUYRYUFYKARB-LNKIKWGQSA-N 321.425 -0.284 30 20 DBED C[C@@H](N[C@H]1C[C@H](NC(=O)CSCC#N)C1)c1nnnn1C 1752613909 MTFVAIZAOUFTMV-OPRDCNLKSA-N 309.399 -0.235 30 20 DBED COCC#CCNC[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(C)C2)C1 1752798430 ABHYSEPMJMRXHN-HUUCEWRRSA-N 321.421 -0.057 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@H](C)CNC(=O)Cc1ccn(C)n1 1752872815 KPHDTXVOQWXOQV-VXGBXAGGSA-N 307.398 -0.252 30 20 DBED COc1cccnc1CC(=O)NC[C@@H](C)NCC(=O)NCC#N 1752894319 IRHKXFODOMNVPG-LLVKDONJSA-N 319.365 -0.633 30 20 DBED N#CCNC(=O)CN[C@H]1CCC[C@H](NC(=O)c2cc[nH]n2)C1 1752965121 MAZBZAMRPBAUBM-QWRGUYRKSA-N 304.354 -0.320 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)CCNC(=O)c1cc2n(n1)CCO2 1753052482 ZXRQTPHIYFTZGP-LLVKDONJSA-N 319.365 -0.925 30 20 DBED C=CCN1CC[C@@H](NCCN(C)C(=O)[C@]2(F)CCOC2)C1=O 1753228553 DLYDRBPDMXDHIJ-DOMZBBRYSA-N 313.373 -0.050 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC[C@@H](NC(=O)[C@H]2CCCN2C)C1 1753368520 XLUZGFYUSWRQTN-RBSFLKMASA-N 320.437 -0.201 30 20 DBED C=CCNC(=O)CNC[C@@]1(NC(=O)C(N)=O)CCCC[C@@H]1C 1753536668 XFPOOOYOHZXEMS-NHYWBVRUSA-N 310.398 -0.571 30 20 DBED N#CCNC(=O)CN[C@H]1CC[C@H](NC(=O)c2cccnn2)CC1 1753586703 YUFZKDBVGBFCHC-HAQNSBGRSA-N 316.365 -0.253 30 20 DBED C#CCNC(=O)CNC[C@H](C)CNC(=O)c1cn(C)nc1CC 1753620570 UVNKPLOWXNFMHR-LBPRGKRZSA-N 319.409 -0.313 30 20 DBED C#CCCCC(=O)N(C)[C@H](C)CNCCN1C(=O)CNC1=O 1753685002 JOPRFJQIHRQIBR-GFCCVEGCSA-N 308.382 -0.222 30 20 DBED C[C@H](CNCC(=O)NCC#N)N(C)C(=O)Cc1cncn1C 1753720725 FSZPOEUSKIAFGB-LLVKDONJSA-N 306.370 -0.961 30 20 DBED N#CCNC(=O)CNC[C@@H]1CCC[C@H]1NC(=O)C1CCOCC1 1753878859 XKRKCWCMFULVMX-UONOGXRCSA-N 322.409 -0.073 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)Cc1cccs1 1753903573 UFSFHRQAAPKHKJ-NEPJUHHUSA-N 323.418 -0.505 30 20 DBED C#CCNC(=O)CNC[C@@H](O)CNC(=O)[C@@H](C)c1ccco1 1753927566 MMHLHOHRXRSBLH-NWDGAFQWSA-N 307.350 -0.801 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H](C)CNCC(=O)N1CCC1 1754270485 CMXYQFMZQRJXJR-KBPBESRZSA-N 306.410 -0.589 30 20 DBED C#CCNC(=O)CNC[C@H](NC(=O)C1=COCCO1)C1CC1 1754437850 XWZYBKDMNHPPSZ-LBPRGKRZSA-N 307.350 -0.892 30 20 DBED C=C(C)CN[C@@H](C)[C@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 1754796354 AULOVBDGAVFMTK-KBPBESRZSA-N 308.426 -0.179 30 20 DBED C#CCO[C@H](C)C(=O)N1CCO[C@@H](CNCc2csnn2)C1 1755001841 GCLJQNMUKLOLIN-YPMHNXCESA-N 324.406 -0.107 30 20 DBED Cn1[nH]c(CN2CCC[C@H](NC(=O)C#CC3CC3)CC2)nc1=O 1755024453 YTTXIDKMAFPFEA-ZDUSSCGKSA-N 317.393 -0.008 30 20 DBED CC[C@H](F)C(=O)N1CCC(O)(CNCC(=O)NCC#N)CC1 1755151867 WFXNRWVJFKPZJR-NSHDSACASA-N 314.361 -0.683 30 20 DBED CCOc1cc(C(=O)N[C@@H](C)[C@H](C)NCC(=O)NCC#N)on1 1755244609 RXROONTUFDDEHN-UWVGGRQHSA-N 323.353 -0.191 30 20 DBED C=CCOCC(=O)N1C[C@H](NCCNS(C)(=O)=O)C[C@@H]1C 1755672148 HCWTWPMOLNHMMD-NWDGAFQWSA-N 319.427 -0.683 30 20 DBED CC#CCN(C)CCN(C(=O)C[C@@H]1NC(=O)NC1=O)C(C)C 1755813249 KICJHPIVYZISMX-LBPRGKRZSA-N 308.382 -0.223 30 20 DBED C=CCOCC(=O)NCC1=CCN(CC(=O)NCC#N)CC1 1755882366 DVJTYFJHDBKIAF-UHFFFAOYSA-N 306.366 -0.423 30 20 DBED C=CCCC(=O)N[C@H](C)C1CN(C(=O)C[C@@H]2CC(=O)NC2=O)C1 1756131065 ZKLSKBRJMAVRBZ-MNOVXSKESA-N 321.377 -0.032 30 20 DBED CC(C)C#CC(=O)NCC1[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@@H]12 1756197529 KWRCKPTZBVAXIP-XWUBHJNHSA-N 317.389 -0.412 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H](CO)NC(=O)c1cnoc1CC 1756520912 GRVRCIJOIKXOAF-MNOVXSKESA-N 323.349 -0.518 30 20 DBED Cc1cc(C(=O)N(C)C[C@@H](O)CNC(=O)C#CC2CC2)n(C)n1 1756654367 VXCNJJWUXLISLE-ZDUSSCGKSA-N 318.377 -0.309 30 20 DBED C=CCN(CC=C)S(=O)(=O)NCCOCCOCC(=O)O 1776177715 XNYXSGRERYAGCP-UHFFFAOYSA-N 322.383 -0.387 30 20 DBED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(CO)on3)C2)C1 1780398133 IAMONRHVTQHNLJ-HNNXBMFYSA-N 319.317 -0.756 30 20 DBED N#CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1[C@H]3COC[C@H]31)C2 1795084579 JIZVNKHYOWDUTA-WYDCJEIBSA-N 319.361 -0.618 30 20 DBED COCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)S)C2 1795350644 FGIXCBHYZBGRCC-HNCHTBHHSA-N 316.423 -0.069 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1nc(C)no1 1795818411 HIMQFLNMEMAJOB-QHBPRCKVSA-N 318.333 -0.857 30 20 DBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1C[C@H]1F)CCO2 1839099631 MECHYWLMIHWNNG-ZOWXZIJZSA-N 310.325 -0.566 30 20 DBED C[C@](O)(CC(=O)O)CC(=O)N1CC2(CCCN2C(=O)CC#N)C1 1842623796 DIQWGHIQTLPAAM-CQSZACIVSA-N 323.349 -0.281 30 20 DBED CC(C)[C@H](S)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](N)CN 1847828134 AFSKDZRVYOUIEB-BJDJZHNGSA-N 314.455 -0.571 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O 42302062 ANVTYRQDIHXFDR-VIFPVBQESA-N 314.367 -0.746 30 20 DBED C#CCN1CCN(C(=O)c2cccc(S(=O)(=O)NC)c2)CC1 128257088 QVRUAUBPNUETQJ-UHFFFAOYSA-N 321.402 -0.014 30 20 DBED C/N=C(/NCC(=O)NC(C)C)N1CCO[C@@H](c2cnn(C)c2)C1 153301963 JIONABNFDCZERX-CYBMUJFWSA-N 322.413 -0.107 30 20 DBED N#Cc1cnn(C(=O)c2cccc(CS(N)(=O)=O)c2)c1N 195184421 BWPMABWZBSATLZ-UHFFFAOYSA-N 305.319 -0.186 30 20 DBED C/N=C(/NC[C@@H]1CN2CCN1CC2)N1CCC[C@H](CC(N)=O)C1 261717318 HZJQJIBXHHTXET-ZIAGYGMSSA-N 322.457 -0.851 30 20 DBED C[C@@H]1CN/C(=N\CCS(=O)(=O)NC[C@H]2CCCCO2)N1 262472053 BHJNJDJBIPCVLM-GHMZBOCLSA-N 304.416 -0.588 30 20 DBED CS(=O)(=O)NC(=O)CCNC(=O)Cc1ccc(C#N)cc1 277341443 CZGAMCHGYXSVEX-UHFFFAOYSA-N 309.347 -0.317 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 278885848 OGCJRVIFENCAAE-HNNXBMFYSA-N 309.366 -0.737 30 20 DBED CNS(=O)(=O)CCNC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1 281319985 VIZAIPFOSNKIDY-CYBMUJFWSA-N 320.374 -0.094 30 20 DBED COC(=O)C[C@@H](NS(=O)(=O)c1ccc(C#N)o1)C(=O)OC 286449412 ACXSLCPBMFIOJS-MRVPVSSYSA-N 316.291 -0.466 30 20 DBED O=C(C/N=C(/O)Nc1ccc(C2CC2)nn1)N1CCOCC1 329231222 KMAVOBPDOHFNDK-UHFFFAOYSA-N 305.338 0.539 30 20 DBED CN(C)C(=O)Cn1nc2n(c1=O)CCN(C/C(O)=N/C1CC1)C2 329856704 YKFNZUGAFSRJFL-UHFFFAOYSA-N 322.369 -0.933 30 20 DBED CN1CCC[C@H](/N=C(/O)CCN2CCCS2(=O)=O)C1=O 330058306 YTCAMUZOSOLMIN-JTQLQIEISA-N 303.384 -0.011 30 20 DBED C[C@H](CN1CCOCC1)N/C(O)=N/C[C@H]1CCCS1(=O)=O 330079983 OSUSCERFKKVGSP-VXGBXAGGSA-N 319.427 -0.212 30 20 DBED C/N=C(/O)NC(=O)CSc1nnnn1C1CCOCC1 330640360 CNXSKEJWRFTJII-UHFFFAOYSA-N 300.344 -0.223 30 20 DBED CNC(=O)[C@H]1CN(C(=O)CNc2ccc(C#N)cc2)CCO1 330803308 IHGSLLNFOQFHAJ-CYBMUJFWSA-N 302.334 -0.056 30 20 DBED C[C@H](CO[C@@H]1CCOC1)NS(=O)(=O)N1CCO[C@H](C#N)C1 336901065 QOPXSHFSMYAZML-IJLUTSLNSA-N 319.383 -0.761 30 20 DBED CN(C1(C(N)=O)CCCC1)S(=O)(=O)N1CCO[C@@H](C#N)C1 336931030 BKSDKOIQOOVKLJ-JTQLQIEISA-N 316.383 -0.815 30 20 DBED N#Cc1ncn(CC(=O)N[C@@H]2CN(c3ccc(F)cc3)C2=O)n1 344281673 UCDZJIJUNNGGAE-LLVKDONJSA-N 314.280 -0.180 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(F)(F)C2)C1=O 345638355 PGJKZTSUQMPSFB-UHFFFAOYSA-N 301.249 -0.169 30 20 DBED C=C[C@H](CO)NC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1cnn(C)c1C 356860080 WYTCAGHYGNOMQM-GYSYKLTISA-N 306.366 -0.089 30 20 DBED CCS(=O)(=O)N1CC(CNC(=O)c2cnn(C)c2C#N)C1 356959200 YTBPCTYHJMTJRJ-UHFFFAOYSA-N 311.367 -0.697 30 20 DBED N#CCNC(=O)CNC(=O)C(=O)N1CCc2c(F)cc(F)cc21 357291468 PSCGCFWPSZYCQV-UHFFFAOYSA-N 322.271 -0.390 30 20 DBED C=C[C@H](CO)NC(=O)NC1CCN(S(=O)(=O)CC)CC1 358448404 FEFFWLOJHSALCX-SNVBAGLBSA-N 305.400 -0.353 30 20 DBED C=CCOC[C@@H](NS(=O)(=O)c1cnn(CC)c1)C(=O)OC 360604215 IOORESUVLQVSLL-LLVKDONJSA-N 317.367 -0.075 30 20 DBED C=CCS(=O)(=O)CCNC(=O)[C@@H]1CN2CCCN1CC2 378633958 PYVBKCOEHSZKML-LBPRGKRZSA-N 301.412 -0.907 30 20 DBED CN1CCCN(C(=O)C(=O)Nc2ccn(CCC#N)n2)CC1 429805316 IDCRKAJZSHCXAF-UHFFFAOYSA-N 304.354 -0.101 30 20 DBED COC(=O)Cn1ccc(N[C@H](C(N)=O)c2ccc(C#N)cc2)n1 438301881 KQJMEHPZEBYQLC-AWEZNQCLSA-N 313.317 0.566 30 20 DBED CCOC(=O)N1CCC(NC(=O)CN2CCOC[C@H]2C#N)CC1 496007224 AOASAJUZASTRMU-CYBMUJFWSA-N 324.381 -0.052 30 20 DBED N#Cc1ccc(S(=O)(=O)N2CC[C@@H](N3CCNCC3)C2)o1 514678377 QUQSRPBYNRVGIB-LLVKDONJSA-N 310.379 -0.181 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)[C@@H]2CCCS2(=O)=O)C1=O 516782670 YXBNWYBKZSEYFD-MNOVXSKESA-N 300.380 -0.191 30 20 DBED N#Cc1cccc(S(=O)(=O)NCC(=O)Nc2cc[nH]n2)c1 573609292 BGTXBWJMZSELCH-UHFFFAOYSA-N 305.319 0.198 30 20 DBED C[C@H](NS(=O)(=O)c1cncc(C#N)c1)[C@H]1CN(C)CCO1 589284835 CNLAERXRDICGPO-GXFFZTMASA-N 310.379 -0.049 30 20 DBED CN(C[C@H](O)CN1CCOCC1)C(=O)c1cccc(C#N)n1 589466260 PPQZQBONNTYPQH-ZDUSSCGKSA-N 304.350 -0.282 30 20 DBED CC[C@H](C#N)C(=O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 593894196 IMLXJFLLQAXKFF-SNVBAGLBSA-N 311.367 -0.208 30 20 DBED Cn1ncc(C#N)c1NCCN1CCN(S(C)(=O)=O)CC1 596086825 BTOGNPAWSKVWDH-UHFFFAOYSA-N 312.399 -0.719 30 20 DBED CCN(C[C@H](C)C#N)C(=O)CN1CCN(c2nc[nH]n2)CC1 602871294 QFRXXMJLADVUBZ-GFCCVEGCSA-N 305.386 -0.065 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN(C(=O)COC)CC1 666582409 GECGUKLFZDEZAK-ZDUSSCGKSA-N 311.382 -0.226 30 20 DBED C=CCNC(=O)COC(=O)CNC(=O)Cc1ccc(O)cc1 726822206 PYTWDLVRHQRHFJ-UHFFFAOYSA-N 306.318 -0.104 30 20 DBED N#CCNC(=O)COC(=O)CCN1C(=O)COc2ccccc21 731240031 YSTICCLZUBDFPO-UHFFFAOYSA-N 317.301 -0.015 30 20 DBED C=CCN(CC(=O)OCC)C(=O)Cn1[nH]cc2c(=O)ncnc1-2 731981854 DUIFPDDJTDNAJO-UHFFFAOYSA-N 319.321 -0.351 30 20 DBED O=C(O)CCCNC(=O)NCCN/C(O)=C1/N=CC=CC1=O 738576727 YXEZPSWNSATKPF-QXMHVHEDSA-N 310.310 -0.323 30 20 DBED C#CCCN1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 760856128 XFFJQMVURIHLDU-LBPRGKRZSA-N 320.436 -0.856 30 20 DBED N#Cc1ccc(CNC(=O)NCCN2CCNC(=O)C2)nc1 780598310 AXAJSSTUWVBPOT-UHFFFAOYSA-N 302.338 -0.816 30 20 DBED C#C[C@@H](NC(=O)C(=O)NCCCOCCOC)[C@@H]1CCCO1 785563924 TZHBYDLPDAMASN-OLZOCXBDSA-N 312.366 -0.547 30 20 DBED C#Cc1cc(F)c(NC(=O)C(=O)NCCn2ncnn2)c(F)c1 802564197 SIQLXGRVTHMLAQ-UHFFFAOYSA-N 320.259 -0.313 30 20 DBED CCNS(=O)(=O)CCNS(=O)(=O)c1ccc(C#N)o1 804991537 FOILOWCIMPCBBH-UHFFFAOYSA-N 307.353 -0.631 30 20 DBED C#CCCCNC(=O)C(=O)N(CCS(C)(=O)=O)C(C)C 806909497 HBWJJVBAHDKKMZ-UHFFFAOYSA-N 302.396 -0.202 30 20 DBED Cn1[nH]cc2c(=NC(=O)C(=O)N3CC[C@](F)(C#N)C3)ccnc1-2 807030751 PBYCNCKNRJFXQJ-AWEZNQCLSA-N 316.296 -0.256 30 20 DBED C#CCCS(=O)(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 808286806 BXLPRIXLNJBHQD-CYBMUJFWSA-N 313.423 -0.246 30 20 DBED COCCN1CCN(C(=O)c2cccc(C#CCO)c2)CC1=O 824414808 PWGSVVDTNRVFTN-UHFFFAOYSA-N 316.357 -0.039 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N1CCN(C(C)=O)C[C@H]1C 875597425 CZIWKJGGOMXGSG-TZMCWYRMSA-N 323.393 -0.390 30 20 DBED C#Cc1ccc(C(=O)N2CCN(S(=O)(=O)NC)CC2)cc1 897674076 MUHWSEZIGVEETO-UHFFFAOYSA-N 307.375 -0.110 30 20 DBED N#C[C@H]1CN(S(=O)(=O)N2CCC[C@@H]2C2OCCO2)CCO1 907669916 HIDJPNMDFBUILR-WDEREUQCSA-N 317.367 -0.707 30 20 DBED C=CCS(=O)(=O)CCNC(=O)NCCO[C@@H]1CCOC1 921897427 POKRTICSLHEGJU-LLVKDONJSA-N 306.384 -0.308 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2C[C@@H](N)[C@H](C)C2)C1=O 926356069 CZZANAUYOFBDPY-UTUOFQBUSA-N 308.382 -0.963 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]c(C(N)=O)c1 937223051 XRBFMCIRATVZFF-MIMYLULJSA-N 315.333 -0.301 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CCN(CC(N)=O)C[C@@H]2C)cn1 944216293 YFJMLUJBCWRHJR-SMDDNHRTSA-N 300.362 -0.012 30 20 DBED COCC(=O)N1CCO[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 944531472 BPBCOZILOKAZGY-LLVKDONJSA-N 306.322 -0.510 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)[C@H](C)OC 950752783 DLWXTIXEQHOGRL-IHRRRGAJSA-N 307.394 -0.164 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]1CNC(=O)c1nc2ncccn2n1 951749399 VRNXJNKJQDORHN-VHSXEESVSA-N 313.321 -0.385 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(N(C)C(=O)[C@@H]2COCCN2C)CC1 953882374 TYFRDXNTWVEHAW-JSGCOSHPSA-N 322.409 -0.074 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)C(N)=O)C[C@@H]2C)nc1 955757753 CNNAAADYNUBOGO-JQWIXIFHSA-N 314.345 -0.343 30 20 DBED C#CCN1CCC(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)CC)C2)CC1 958349498 DLRTYXZBFDTKEL-GJZGRUSLSA-N 321.421 -0.228 30 20 DBED C#CCCN1C[C@@H](O)[C@@H](CNC(=O)c2noc3c2COCC3)C1 958725323 XKDZMAZTBVNBHK-WCQYABFASA-N 319.361 -0.207 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@H](NC(=O)[C@H]2CCC(=O)N2)C1 961901870 UMPKLPVESNTBJQ-MXWKQRLJSA-N 309.366 -0.835 30 20 DBED CS[C@@H](C)C(=O)N1C[C@H](O)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 962388597 ZRWRGBIPAHESKY-AXTRIDKLSA-N 322.390 -0.061 30 20 DBED C#CCN1CCC(C(=O)N2CCOC[C@@H]2CNC(C)=O)CC1 964042048 XMBODSYYRPADOV-HNNXBMFYSA-N 307.394 -0.305 30 20 DBED C=C[C@](C)(CC)C(=O)N1CCN(C2CN(C(=O)C(N)=O)C2)CC1 967247914 LYTHCWAVJFWNLM-MRXNPFEDSA-N 322.409 -0.571 30 20 DBED N#Cc1cc(C(=O)N2CC[C@@H](NCc3nc(O)n[nH]3)C2)c[nH]1 968447912 QLSYANHOYNIVIG-SECBINFHSA-N 301.310 -0.286 30 20 DBED O=C(Cn1ncnn1)N1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC1CC1 968993712 VDOIOUJWEXTHCO-BETUJISGSA-N 314.349 -0.712 30 20 DBED NC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC1CC1 968995968 PXHARJZKAXNZLR-RQJABVFESA-N 315.373 -0.277 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cncn1 970058683 SYQCBKNSANHBGN-SDDRHHMPSA-N 302.338 -0.360 30 20 DBED O=C([C@@H]1COCCO1)N1CC[C@@H]2CN(C(=O)C#CC3CC3)[C@@H]2C1 972075174 GLOPVTGABKSIDU-KFWWJZLASA-N 318.373 -0.126 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)[C@H](C)N3CCOCC3)[C@H]2C1 976812430 KUMFSKPZCCYTMF-QSLWVIQJSA-N 320.393 -0.560 30 20 DBED C#CCN1C[C@@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)C(C)(C)C1 977419217 LCYHTICKFZEYEM-LLVKDONJSA-N 320.393 -0.223 30 20 DBED N#CCN1C[C@@H]2C(CNC(=O)[C@H]3CCCN(C(N)=O)C3)[C@H]2C1 978430262 HBIWOZRCMIQUDM-CYZMBNFOSA-N 305.382 -0.405 30 20 DBED Cn1nnc2cc(C(=O)NCC3[C@H]4CN(CC#N)C[C@H]34)cnc21 978494025 KROLBVZHGPMHTR-VXGBXAGGSA-N 311.349 -0.206 30 20 DBED C#CCN1C[C@H]2C(CNC(=O)c3cnn4c(=O)cc[nH]c34)[C@@H]2C1 978836286 URZNOGVCVRRIJM-STQMWFEESA-N 311.345 -0.437 30 20 DBED C#CCN[C@@H]1CCN(C(=O)CN2C(=O)CC(C)(C)C2=O)[C@H]1C 986280412 MHAVFSKMVAUFHH-NWDGAFQWSA-N 305.378 -0.016 30 20 DBED C#CCN[C@@H]1C[C@@H](C)N(C(=O)CCc2nnc(O)nc2O)C1 989088646 QYUJZGXXNNPVMT-NXEZZACHSA-N 305.338 -0.572 30 20 DBED O=C(Cc1ccon1)N[C@@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1O 991343181 NYQASEUYCCJHQX-KGLIPLIRSA-N 317.345 -0.292 30 20 DBED O=C(N[C@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1O)C1=CCOCC1 991422847 IEQOTWODEGUKGE-GJZGRUSLSA-N 318.373 -0.176 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CCN(C)C2=O)C1 1000018934 UMFBDASGXXSPMA-AGIUHOORSA-N 321.377 -0.617 30 20 DBED C[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1NC(=O)C(N)=O 1005209165 YOFFPYJQDWWDHT-KCJUWKMLSA-N 303.322 -0.662 30 20 DBED C#CCCN1CCC[C@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)C1 1008726128 MQCVIWIUGNZGFK-NSHDSACASA-N 320.349 -0.989 30 20 DBED C=CC(C)(C)C(=O)N1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 1011912577 BNHURLMGKNZBTK-NWDGAFQWSA-N 323.393 -0.098 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCN(C(=O)c3cnn(C)n3)C2)C1 1019362854 GWALXXFTTBPGMN-SNVBAGLBSA-N 302.338 -0.351 30 20 DBED C[C@@H](C#N)C(=O)N1CCCO[C@@H](CNC(=O)c2nc[nH]n2)C1 1019644866 MRRARBWIKCVGHP-UWVGGRQHSA-N 306.326 -0.688 30 20 DBED C=CCN[C@H]1C[C@H](NC(=O)C2(n3cnnn3)CCOCC2)C1 1020720414 AWBXBASMQPGSDV-HAQNSBGRSA-N 306.370 -0.398 30 20 DBED N#CCN1CC[C@H]2[C@@H](CCCN2C(=O)C2CC(=O)NC(=O)C2)C1 1021690687 KFGVPFNDEYXYMT-AAEUAGOBSA-N 318.377 -0.124 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CN(C(=O)C3CCC3)C[C@H]2O)c1 1023329567 LWPHFSIJHGXZMO-CHWSQXEVSA-N 302.334 -0.012 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCNC2=O)C1 1024170412 YYOBHZPCNVVGMQ-QJPTWQEYSA-N 323.393 -0.587 30 20 DBED C=CCN[C@@H]1CC[C@H]2CN(C(=O)Cn3c(O)nnc3O)C[C@@H]21 1026407672 RQFFLIZPROQGAW-GARJFASQSA-N 307.354 -0.298 30 20 DBED C#CCCN1CCCC[C@H](NC(=O)Cn2nc(C)n(C)c2=O)C1 1034506053 FSLDJFUVSRKZEH-AWEZNQCLSA-N 319.409 -0.116 30 20 DBED N#CCN1CCO[C@H](CNC(=O)[C@@H]2CCCN(C(N)=O)C2)C1 1035435677 USIMOFVAQRPHNP-VXGBXAGGSA-N 309.370 -0.882 30 20 DBED C#CCN1CCO[C@H](CNC(=O)[C@@H]2CCc3nnc(C)n3C2)C1 1035614197 NKQNRKCNRFEANP-ZIAGYGMSSA-N 317.393 -0.401 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)[C@@H](CC)NC(C)=O)C1 1042801537 MISIJEUCMZYKJQ-CYBMUJFWSA-N 323.393 -0.606 30 20 DBED Cc1cc(CC(=O)NCC2(O)CN(C(=O)[C@H](C)C#N)C2)n(C)n1 1043861257 ILHQSFWUNOJTIF-SNVBAGLBSA-N 319.365 -0.880 30 20 DBED C#CCN1CC[C@@H](N2CCN(C(=O)c3cn(C)cn3)CC2)C1 1046019785 JOHLLWCCEDZAMC-CQSZACIVSA-N 301.394 -0.115 30 20 DBED C=CCN1CC[C@H](N2CCN(C(=O)CN3CCOCC3)CC2)C1 1046021098 ACLROEMHTPHWAN-INIZCTEOSA-N 322.453 -0.277 30 20 DBED C=C[C@](C)(CC)C(=O)N1CC(O)(CNC(=O)Cc2nc[nH]n2)C1 1046905728 WKAJMVQWNFTKRB-CQSZACIVSA-N 321.381 -0.361 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@@H](N(C)C(=O)C2CS(=O)(=O)C2)C1 1047395203 YSILYGOCUBYALQ-QWRGUYRKSA-N 322.814 -0.713 30 20 DBED C=C(C)CCN1C[C@H](O)[C@@H](N(C)C(=O)C2CC(=O)NC(=O)C2)C1 1047562987 BCGRGUQJBUBFDQ-STQMWFEESA-N 323.393 -0.491 30 20 DBED C#CCCCC(=O)N(C)[C@H]1CN(C(=O)Cn2cccn2)C[C@@H]1O 1048750317 PQZDWZSMVSOPRY-KBPBESRZSA-N 318.377 -0.283 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CC(C)(C)O)C1 1048761576 CFSFWILUDQVJQU-RYUDHWBXSA-N 314.382 -0.620 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)[C@H]1CC(=O)N(C)C1)CCO2 1053280898 KRLPBVVGSZRKRH-ZDUSSCGKSA-N 305.378 -0.599 30 20 DBED C=C(Cl)CN1CC2(C1)CN(C(=O)[C@@H]1CNC(=O)N1)CCO2 1053402724 LWPIJLVIEFMWAC-JTQLQIEISA-N 314.773 -0.667 30 20 DBED C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1CCN=c1cc[nH]cc1C#N 1053501116 YBEXORWYTPHPIX-GHMZBOCLSA-N 301.350 -0.243 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)C[C@H]3CCCC(=O)N3)CO2)C1 1053865819 KAXAJBBFKVZHRU-OLZOCXBDSA-N 305.378 -0.362 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)[C@@H]3CCCc4nn[nH]c43)CO2)C1 1053908284 OTFVHDAMPPVQKX-GHMZBOCLSA-N 316.365 -0.292 30 20 DBED C=CCOCC(=O)N1C[C@@H]2CN(C(=O)Cc3nc[nH]n3)C[C@@H]2C1 1055249984 JDXIOUOPONXNPO-TXEJJXNPSA-N 319.365 -0.533 30 20 DBED C=CCO[C@@H](C)C(=O)N1C[C@@H]2CN(C(=O)c3cnn[nH]3)C[C@@H]2C1 1055381019 PHYOAJWAHWUGBF-SDDRHHMPSA-N 319.365 -0.074 30 20 DBED N#Cc1cnc(N2CCN(C(=O)C[C@H]3CCNC3=O)CC2)cn1 1055924938 ZFZMNEKWCXNSLW-LLVKDONJSA-N 314.349 -0.477 30 20 DBED N#Cc1cnc(N2C[C@@H]3C(NC(=O)[C@H]4CCC(=O)N4)[C@H]3C2)cn1 1056148255 YYVYRRHHGLIZOF-GARJFASQSA-N 312.333 -0.822 30 20 DBED N#Cc1cnccc1N1C[C@H]2[C@H](NC(=O)c3c[nH]c(=O)cn3)[C@H]2C1 1056389224 KMOKBESJDZQSQB-HBYGRHMLSA-N 322.328 -0.099 30 20 DBED CCO[C@H](C)C(=O)N(CCO)CCNC(=O)c1ccc(C#N)[nH]1 1057058299 OZXLHMQCCPSXKF-LLVKDONJSA-N 322.365 -0.138 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)c1ccncc1F 1057257988 YNSVLSINJKAWQC-SNVBAGLBSA-N 308.313 -0.069 30 20 DBED CC(C)(C)C#CC(=O)N(CCO)CCNC(=O)[C@H]1C[C@H]1C(N)=O 1057539947 AJLDCKNHGAXZAO-NEPJUHHUSA-N 323.393 -0.906 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)[C@@H]1CCCC(=O)N1C 1058654557 AULYPAHXWWGOLA-NEPJUHHUSA-N 324.381 -0.906 30 20 DBED N#Cc1ccc(N2C[C@@H]3CC[C@H](C2)N3C(=O)Cn2cnnn2)cn1 1058729031 UTFWRKBQBDAVRW-OKILXGFUSA-N 324.348 -0.180 30 20 DBED C#CCCCCCC(=O)N1CCOC[C@H]1CNC(=O)CC(N)=O 1061456157 RMOLIFVVHORTFA-CYBMUJFWSA-N 323.393 -0.211 30 20 DBED Cn1ncc(C(=O)NC[C@@H]2CCN(c3nccnc3C#N)C2)n1 1061622923 MGVUNTMYSCOGIF-JTQLQIEISA-N 312.337 -0.267 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCOC[C@@H]1CNC(=O)c1cnco1 1061731870 YORVUFHWTYGSOX-RYUDHWBXSA-N 321.333 -0.330 30 20 DBED CN(C(=O)[C@H]1COC(=O)N1)[C@H]1CCN(c2nccnc2C#N)C1 1062929146 ZWRCPBKYGNVCJK-GXSJLCMTSA-N 316.321 -0.506 30 20 DBED N#Cc1nc(=NC[C@H]2CCCN2C(=O)Cn2cncn2)cc[nH]1 1063486843 OYNBVCAJBTWQIJ-LLVKDONJSA-N 312.337 -0.535 30 20 DBED N#Cc1ccc(N2CCO[C@H](CNC(=O)c3cnon3)C2)nc1 1063639942 VHZRGOJXQLVOKR-LLVKDONJSA-N 314.305 -0.029 30 20 DBED C[C@H]1CN(C(=O)CC(N)=O)CC[C@@H]1Nc1ccc(C#N)nn1 1063714121 TWEKQCNMNUEAGG-ONGXEEELSA-N 302.338 -0.127 30 20 DBED N#Cc1ccc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)Cn2cccn2)nn1 1064216965 MGTFZFHPXZRCGS-IFUGULHKSA-N 309.333 -0.062 30 20 DBED CCn1nncc1C(=O)N[C@@H]1[C@H]2C[C@H]1N(c1cncc(C#N)n1)C2 1064246279 LVWDBPPEAVUPFA-DRCTWCGVSA-N 324.348 -0.033 30 20 DBED C=CCOCC(=O)N1CCO[C@@H](CNC(=O)c2ccnnc2)C1 1064972194 RHSIOMAEYYWNIX-ZDUSSCGKSA-N 320.349 -0.364 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)CC(=O)N(C)C)CCO1 1065165439 NNEBEZIIURERSZ-GFCCVEGCSA-N 311.382 -0.226 30 20 DBED C[C@@]1(NC(=O)[C@@H]2COCCO2)CCN(c2nccnc2C#N)C1 1065210249 LUQWEHUHGYOYDF-SWLSCSKDSA-N 317.349 -0.151 30 20 DBED N#Cc1nccc(N2C[C@H]3CN(C(=O)CC(N)=O)C[C@H]3C2)n1 1065980077 PPOJIDGGSHNMIL-AOOOYVTPSA-N 300.322 -0.882 30 20 DBED N#Cc1nccnc1N1CCOC[C@H]1CNC(=O)c1cnon1 1066496787 HIUOKGMTLLTYBL-SECBINFHSA-N 315.293 -0.634 30 20 DBED C=CCO[C@@H](C)C(=O)N(C)CCCN(C)C(=O)c1nnn(C)n1 1067690877 NXSGRKYBQMJQJY-NSHDSACASA-N 324.385 -0.278 30 20 DBED Cc1cc(C#N)nc(N2C[C@H]3CC[C@H]2CN3C(=O)C(N)=O)n1 1068061616 ODILUURQCGZFQP-MNOVXSKESA-N 300.322 -0.678 30 20 DBED N#Cc1ccc(N2C[C@H]3[C@H](CNC(=O)c4nc[nH]n4)[C@H]3C2)nn1 1068180594 MPPFEJIFNAPMRM-RTCCRHLQSA-N 310.321 -0.421 30 20 DBED C[C@@H]1[C@@H](Nc2ccc(C#N)nn2)CCN1C(=O)Cn1cnnn1 1068776885 LKTLZGXPBLMNKS-KOLCDFICSA-N 313.325 -0.564 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1COC2(C1)CN(C(=O)CCOC)C2 1068867719 BUOOIQGSVVWPCM-OLZOCXBDSA-N 324.377 -0.453 30 20 DBED C=CCCOCC(=O)N[C@H]1COC2(C1)CN(C(=O)COC)C2 1068905757 LQKBJFQTQSYMFS-GFCCVEGCSA-N 312.366 -0.288 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@H]1COC2(C1)CN(C(=O)COC)C2 1068910282 HUKZNTPNGWAAEQ-NWDGAFQWSA-N 312.366 -0.290 30 20 DBED C=C(C)C[C@H](C)C(=O)N1CC2(C[C@@H](NC(=O)C(N)=O)CO2)C1 1068991696 AUQITBRAIHQOAD-WDEREUQCSA-N 309.366 -0.440 30 20 DBED C#CCN1CCn2ncc(CNC(=O)[C@@H]3CC[C@@H]3C(N)=O)c2C1 1069869618 VJCXMSCIOUXYCC-QWHCGFSZSA-N 315.377 -0.540 30 20 DBED N#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)Cc2ccco2)C1 1070060438 WRKQXOMIPSVHKE-OLZOCXBDSA-N 300.322 -0.021 30 20 DBED C#CCN1CC[C@@H](c2n[nH]cc2CNC(=O)c2cnnn2C)C1 1070408575 WGAYQEHMFMIKJA-LLVKDONJSA-N 313.365 -0.109 30 20 DBED Cc1nc([C@H]2CN(C(=O)[C@H](C)C#N)CC23CN(CCO)C3)n[nH]1 1070442664 LWYXQLKYPVDYHH-ZYHUDNBSSA-N 318.381 -0.507 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCCN(C(=O)[C@H](C)COC)C1 1070546439 YUBRTNQYMXNDPV-CHWSQXEVSA-N 323.393 -0.484 30 20 DBED CCn1cc(C(=O)N2C[C@H]3C[C@@H]4CN(CC#N)C[C@]3(C2)O4)nn1 1070871825 HZZZPSVWIRBPBW-LALPHHSUSA-N 316.365 -0.263 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CCCN(C(=O)c2cc(C(N)=O)c[nH]2)C1 1071179272 HEPKRJWNTLZVNW-MWLCHTKSSA-N 317.349 -0.006 30 20 DBED C[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)C(C)(C)C(N)=O 1072038587 GXZJDQSAYMBXSH-CMPLNLGQSA-N 305.378 -0.126 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCN(CC(=O)N3CCOCC3)C2)C1 1072551156 BILIOSGLRPJDQE-CYBMUJFWSA-N 320.393 -0.461 30 20 DBED CC#CCN1CCCO[C@H](CNC(=O)c2cc(C(N)=O)c[nH]2)C1 1073830262 HXOXQHMEEZOXHK-CYBMUJFWSA-N 318.377 -0.042 30 20 DBED C=CCN1CCO[C@@H]2CCN(C(=O)c3nnc(O)nc3O)C[C@@H]21 1074285905 JHVIOZXMGVPDKQ-VHSXEESVSA-N 321.337 -0.616 30 20 DBED C=CCCN1CCO[C@H]2CCN(C(=O)CCn3cnnn3)C[C@H]21 1074368107 ABIUIIUXZBVKAD-KGLIPLIRSA-N 320.397 -0.059 30 20 DBED C#CCCCC(=O)N1CC[C@H](NC(=O)Cn2ncnn2)C[C@@H]1C 1075003446 DCPIOKQXGYOVME-STQMWFEESA-N 318.381 -0.028 30 20 DBED CNC(=O)CN1C[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)[C@@H]2C1 1075657563 WNQUQRMOLOIXER-WCQYABFASA-N 301.350 -0.221 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)CCOCC 1076218703 BDNDNIIPEVZESA-LBPRGKRZSA-N 311.382 -0.437 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)c1coc(C)n1 1076258640 CETMXQPUMLBRPG-JTQLQIEISA-N 320.349 -0.253 30 20 DBED C=C1CCC(C(=O)N[C@@H]2CN(Cc3nnnn3C)C[C@H]2O)CC1 1077621611 RHYZQAJIBBUAQM-CHWSQXEVSA-N 320.397 -0.382 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H](C)CCNC(=O)[C@@H]1CCC(=O)N1C 1077880525 GHQPSXBFNHJDHM-AVGNSLFASA-N 323.393 -0.344 30 20 DBED C[C@@H](CCNC(=O)[C@H](C)C#N)NC(=O)[C@@H]1CCCN1C(N)=O 1078135093 PWYAGVGLSSIZNI-VWYCJHECSA-N 309.370 -0.300 30 20 DBED CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)[C@H]2CCN(C)C2=O)C1 1080421590 KNTYQRKUKDPFRV-JQWIXIFHSA-N 306.366 -0.316 30 20 DBED COCCC(=O)NC1(CO)CCN(C(=O)C#CC2CC2)CC1 1080646739 NHAHLJIPZHGCJJ-UHFFFAOYSA-N 308.378 -0.094 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cnccn2)C1 1081204415 JDDNVCRZDLWIPT-OCCSQVGLSA-N 316.361 -0.315 30 20 DBED C=CCCC(=O)N1C[C@H](CNC(=O)CN2CCCC2=O)[C@@H](O)C1 1081251410 NYEHGHMGNBHFTH-STQMWFEESA-N 323.393 -0.490 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2ccc[nH]2)C[C@H]1O 1081343409 BUTWJTQIWBEKLN-DGCLKSJQSA-N 307.350 -0.234 30 20 DBED Cc1nonc1C(=O)N1C[C@H](CNC(=O)C#CC(C)C)[C@@H](O)C1 1081463233 KQIZDRVQUFSVEW-RYUDHWBXSA-N 320.349 -0.413 30 20 DBED CCOc1cc(C(=O)N2CCO[C@@H]3CN(CC#N)C[C@@H]32)[nH]n1 1083116830 KPXIMWGVQJEPFS-NWDGAFQWSA-N 305.338 -0.143 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)[C@H]2CCCN(C(N)=O)C2)C1 1083619992 PRDFKGHMPNZIJP-XQQFMLRXSA-N 310.398 -0.486 30 20 DBED Cc1c[nH]c(CC(N)=O)c1C(=O)NC[C@H]1C[C@@H](NCC#N)C1 1086204995 UJAPPEDKPKEZCX-PHIMTYICSA-N 303.366 -0.028 30 20 DBED C#CCCN1CC[C@@H]2CN(C(=O)c3nnc(O)nc3O)C[C@@H]2C1 1088028671 YHCZGOKZQSUCDX-MNOVXSKESA-N 317.349 -0.300 30 20 DBED CNC(=O)CC(=O)N[C@H](C)C[C@@H](C)N=c1cc[nH]c(C#N)n1 1089282682 HCZXGZJYNYLHOY-NXEZZACHSA-N 304.354 -0.399 30 20 DBED CC(C)(C)n1cc(C(=O)N[C@@H]2CCN(CC#N)C[C@@H]2O)nn1 1090313359 AGIUDORGUHBAMF-PWSUYJOCSA-N 306.370 -0.278 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2cn3c(n2)COCC3)[C@@H](O)C1 1090361068 OIHPUJZWYJYEFF-JSGCOSHPSA-N 318.377 -0.398 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2cc(=O)c(OC)c[nH]2)[C@@H](O)C1 1090433136 PBFRCSPJHZZLDX-FZMZJTMJSA-N 319.361 -0.428 30 20 DBED CCN(C)CCC(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1091136842 BKYZLDRHZNLPIH-NEPJUHHUSA-N 318.381 -0.644 30 20 DBED COCCOCC(=O)NC[C@H]1C[C@@H](N=c2cc[nH]c(C#N)n2)C1 1091323360 DXVNAIVFVXPABG-TXEJJXNPSA-N 319.365 -0.260 30 20 DBED C#CCN1C[C@@H]2CN(C(=O)[C@H]3CCS(=O)(=O)C3)C[C@]2(C)C1 1091831580 RXTSSFPMBFYPQC-GUTXKFCHSA-N 310.419 -0.165 30 20 DBED COC(=O)NCC(=O)N1CCN(c2nccnc2C#N)CC1 1093134878 MMXABLTVVUWHBJ-UHFFFAOYSA-N 304.310 -0.647 30 20 DBED COCCOCC(=O)N1CC[C@@H](N=c2cc[nH]c(C#N)n2)C1 1095024009 RRKYGDZSERLGLF-LLVKDONJSA-N 305.338 -0.554 30 20 DBED CN1CCO[C@H](C(=O)NCCCN(C)c2cnc(C#N)cn2)C1 1095521526 INDDPSJSTAPRAM-ZDUSSCGKSA-N 318.381 -0.379 30 20 DBED CC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN1CC(=O)NC1=O 1096187183 DMCOFBUWJROBRS-WOPDTQHZSA-N 304.350 -0.717 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCN(c2ncc(F)cn2)C1 1096359922 JBYLKOQYAAYFJT-LLVKDONJSA-N 305.313 -0.550 30 20 DBED C[C@H](CNC(=O)c1ccc(=O)n(C)n1)Nc1nccnc1C#N 1097851523 UPDZHHWXLDVLQK-SECBINFHSA-N 313.321 -0.328 30 20 DBED C#CCN(CCO)C1CCN(C(=O)[C@@H]2COCCN2CC)CC1 1098414817 HAIIMPITNFHUCW-INIZCTEOSA-N 323.437 -0.374 30 20 DBED CC(C)(C)/C=C/C(=O)N[C@@H]1CCN(CC(=O)NCC#N)C[C@@H]1O 1099747361 WIEKEHQRUMRIFM-PBYRWIMMSA-N 322.409 -0.220 30 20 DBED Cn1nncc1CN1CC[C@@H](NC(=O)C#CC2CC2)[C@@H](O)C1 1099827232 UMDSZZMJXOLRDU-KGLIPLIRSA-N 303.366 -0.720 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)CNS(=O)(=O)CC)[C@H](O)C1 1099860471 CDVWAFXWFLOWJG-VXGBXAGGSA-N 319.427 -0.947 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)CN(C)C(C)C)[C@H](O)C1 1100132077 NCDOXLWRZPONCK-HUUCEWRRSA-N 311.426 -0.472 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)c2ccnn2CC)C1 1100271014 YPWUKFOEJCQMFG-UHFFFAOYSA-N 317.393 -0.250 30 20 DBED Cc1nonc1CC(=O)NCC1CC(NCC(=O)NCC#N)C1 1100813810 RMSOMAIXSKZRQA-UHFFFAOYSA-N 320.353 -0.955 30 20 DBED CC(C)(C(N)=O)C(=O)NC[C@H]1CCN(c2cncc(C#N)n2)C1 1101023137 XNHZYJHSEQZVGU-SNVBAGLBSA-N 316.365 -0.198 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H]2CN([C@H](C)COC)C[C@@]2(C)C1 1101207903 YBHWBUHZEVPEAR-CPUCHLNUSA-N 321.421 -0.059 30 20 DBED CN(CCNc1cncc(C#N)n1)C(=O)[C@H]1CC[C@@H]1C(N)=O 1101902008 JKMCXKBCPDGUIF-QWRGUYRKSA-N 302.338 -0.270 30 20 DBED Cc1cc(C#N)nc(NCCN(C)C(=O)[C@@H]2CNC(=O)N2)n1 1101921339 MKWNKGJFEXUXHJ-JTQLQIEISA-N 303.326 -0.792 30 20 DBED C#CCCN1C[C@@H](C)[C@H](CNC(=O)Cn2ncn(C)c2=O)C1 1102108532 QUSAPCGLJJDPBD-CHWSQXEVSA-N 305.382 -0.711 30 20 DBED CNC(=O)CC(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(C#N)cn1 1102547569 FWUKRKKWVICELQ-QWRGUYRKSA-N 300.322 -0.726 30 20 DBED C=CCO[C@@H](C)C(=O)NC[C@@H]1CN(Cc2nnnn2C)C[C@H]1C 1102609513 CBZZNYUHAUJLQN-FRRDWIJNSA-N 322.413 -0.015 30 20 DBED N#Cc1nccc(N2CCC[C@@H](CCNC(=O)C(N)=O)C2)n1 1102942059 RPJJTLBXLCJIBZ-JTQLQIEISA-N 302.338 -0.444 30 20 DBED C[C@@H](CNc1cncc(C#N)n1)N(C)C(=O)[C@H]1CN(C)C(=O)N1 1104765988 AOONUKIYIKJSSZ-GXSJLCMTSA-N 317.353 -0.369 30 20 DBED CC(=O)N[C@@H](C)C(=O)NC[C@@H](N=c1cc[nH]c(C#N)n1)C(C)C 1105112002 AOEVFPQORFMPDW-CMPLNLGQSA-N 318.381 -0.153 30 20 DBED C#CCNCc1cn(C2CN(C(=O)c3coc(C)n3)C2)nn1 1105221796 WIPJBJKEDOGYPE-UHFFFAOYSA-N 300.322 -0.006 30 20 DBED CC#CCN1CC(OC2CCN(C(=O)CNC(C)=O)CC2)C1 1105685039 QLUHHXFOFADPQR-UHFFFAOYSA-N 307.394 -0.162 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)Cn2cccn2)cn1 1105721523 CASNYEORLZIAHT-CYBMUJFWSA-N 300.322 -0.261 30 20 DBED CCO[C@H](CC)C(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1 1105729738 SWVADPNTXGPJGD-GHMZBOCLSA-N 307.354 -0.526 30 20 DBED C[C@@H](C(=O)NC[C@H](O)CN=c1cc[nH]cc1C#N)n1cccn1 1105768304 XLNMSPHBVXIOJL-WCQYABFASA-N 314.349 -0.278 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)c2cccc(O)n2)nn1 1105776413 RLTUAUNCXHBRMH-JTQLQIEISA-N 314.305 -0.348 30 20 DBED Cn1nccc1CC(=O)NC[C@@H](O)CN=c1cc[nH]cc1C#N 1105806535 YZSAMEAKVQIFDY-ZDUSSCGKSA-N 314.349 -0.760 30 20 DBED C[C@H](NC(N)=O)C(=O)NC[C@H](O)CNc1cccc(F)c1C#N 1105809613 FRYTYMUBXWFWNQ-DTWKUNHWSA-N 323.328 -0.357 30 20 DBED CCn1ncc(C(=O)NC[C@H](O)CNc2ncccc2C#N)n1 1105822268 MRGIEYHHFXSXLK-LLVKDONJSA-N 315.337 -0.233 30 20 DBED Cc1cc(NC[C@H](O)CNC(=O)C#CC2CC2)n2ncnc2n1 1105825643 LNUVHHVDMYELIX-LBPRGKRZSA-N 314.349 -0.265 30 20 DBED N#Cc1c(F)cccc1NC[C@H](O)CNC(=O)[C@@H]1CCC(=O)N1 1105921238 BBYLREKVQOBPBW-ZANVPECISA-N 320.324 -0.135 30 20 DBED C[C@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)[C@@H]1COC(=O)N1 1106312662 CHOXIJVWAZUWEA-BDAKNGLRSA-N 304.310 -0.815 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)[C@@]2(C)CCNC2=O)C[C@H]1C 1106661794 SIDQNRMGDDGDRL-CPUCHLNUSA-N 321.421 -0.154 30 20 DBED N#Cc1cncc(NC/C=C\CNC(=O)[C@H]2CCCNC2=O)n1 1107390203 SILDEMFNLUWLCV-UDSFMNFJSA-N 314.349 -0.041 30 20 DBED Cn1cc(C(=O)NC/C=C\CN=c2cc[nH]cc2C#N)ncc1=O 1107611651 XGSTVLJTGWJFQV-IHWYPQMZSA-N 324.344 -0.133 30 20 DBED C[C@]1(CNC(=O)[C@@H]2CCCO2)CN(CC(=O)NCC#N)CCO1 1107718976 UHYHREWGEKXZRT-WFASDCNBSA-N 324.381 -0.988 30 20 DBED C[C@@H](C(N)=O)N1CCO[C@@](C)(CNC(=O)CSCC#N)C1 1107753497 HAFPUGAAYWSTAU-GWCFXTLKSA-N 314.411 -0.676 30 20 DBED CC[C@H](C)C(=O)NCC(=O)NC[C@]1(C)CN(CC#N)CCO1 1108405217 WGDMWVZMRLYLMM-SWLSCSKDSA-N 310.398 -0.121 30 20 DBED C=CCCN1CC(N2C[C@@H](NC(=O)[C@H](C)NC(N)=O)CC2=O)C1 1108536410 FJHGPLSHHFYFMJ-QWRGUYRKSA-N 323.397 -0.979 30 20 DBED CN(CCCN=c1cc[nH]cc1C#N)C(=O)[C@H]1CCC(=O)N1 1109392770 ZWZSBAPKEGADEO-CYBMUJFWSA-N 301.350 -0.086 30 20 DBED N#Cc1ccc(NC[C@H](NC(=O)[C@H]2CNC(=O)N2)C2CC2)cn1 1109963817 QBNCXXHYZNHKNZ-QWHCGFSZSA-N 314.349 -0.059 30 20 DBED N#Cc1nccc(NC2(CNC(=O)C(=O)NCC3CC3)CC2)n1 1110210505 XTCCUILFUDFGLT-UHFFFAOYSA-N 314.349 -0.065 30 20 DBED C[C@@]1(CNC(=O)C(N)=O)CCCN(c2cncc(C#N)n2)C1 1110954648 ZMYQPLSMRMJPIX-AWEZNQCLSA-N 302.338 -0.444 30 20 DBED C[C@H](Nc1cncc(C#N)n1)[C@H]1CCN(C(=O)CNC(N)=O)C1 1111204892 DABOUJPCPWDZID-UWVGGRQHSA-N 317.353 -0.335 30 20 DBED C=C[C@@](C)(O)CC(=O)N1C[C@@H](NCC(N)=O)[C@H](C(F)(F)F)C1 1112092603 GPCGVKDSGLRYLL-KBVBSXBZSA-N 323.315 -0.222 30 20 DBED C=CCCCN1CCN(C(=O)[C@H](CCC(N)=O)NC(C)=O)CC1 1113435456 ISYTWRIDKJHJSZ-AWEZNQCLSA-N 324.425 -0.133 30 20 DBED C[C@@H](CNC(=O)Cn1nccn1)N(C)c1cnc(C#N)cn1 1113737415 UEZPKUPAWBUBCG-JTQLQIEISA-N 300.326 -0.419 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3cc(C)[nH]n3)[C@H]2C1 1113947504 BMRIMGQBLREAFM-QWRGUYRKSA-N 301.350 -0.872 30 20 DBED C=CCOCCN1C[C@H]2[C@H](NC(=O)c3cnn(C)c3N)[C@H]2C1 1114157274 BKFONZAOSCOQJU-ITGUQSILSA-N 305.382 -0.135 30 20 DBED CCn1nncc1C(=O)NC1[C@@H]2CN(CC#CCOC)C[C@@H]12 1114225934 CYUTWAMVGBRPBE-VXGBXAGGSA-N 303.366 -0.392 30 20 DBED C#CCOCCC(=O)NC1[C@@H]2CN(CCOCCOC)C[C@@H]12 1114266817 XJTKKBCWIGUXRE-ZIAGYGMSSA-N 310.394 -0.264 30 20 DBED C#CCOCCC(=O)NC1[C@@H]2CN([C@H]3CCCN(C)C3=O)C[C@@H]12 1114268934 SUKNSGKNVAIDCF-MCIONIFRSA-N 319.405 -0.307 30 20 DBED C=C(C)CCN1C[C@@H]2C(NC(=O)CNS(=O)(=O)NC)[C@H]2C1 1114624385 QSCKXEZGMIYIRH-QWRGUYRKSA-N 316.427 -0.947 30 20 DBED Cc1ccoc1CC(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1114809953 JHQJULZQIIROGY-ATCWAGBWSA-N 316.361 -0.183 30 20 DBED N#CCNC(=O)CNc1ncnc2c1cnn2-c1ncccn1 1117127381 IGFBHWGDWJWRGA-UHFFFAOYSA-N 309.293 -0.343 30 20 DBED N#Cc1ccc(CCNC(=O)C(=O)NC[C@@H]2CNC(=O)C2)cc1 1118716732 GURFNDWMEOMPFS-ZDUSSCGKSA-N 314.345 -0.531 30 20 DBED CO[C@H](C(=O)NC[C@H](CO)Nc1cnc(C#N)cn1)C1CC1 1121504854 ITVWBXPURCDPKK-YPMHNXCESA-N 305.338 -0.338 30 20 DBED CNC(=O)NCC(=O)N1CC[C@H](Nc2cnc(C#N)cn2)[C@H]1C 1123111886 VIMAFOJRRZGEHR-KOLCDFICSA-N 317.353 -0.321 30 20 DBED C=CCOCC(=O)N(C)C[C@H](O)CNc1nc[nH]c2ncnc1-2 1124196452 MCMIOZSMFKUIEP-SNVBAGLBSA-N 320.353 -0.262 30 20 DBED COCCN(CCNC(=O)[C@H](C)OC)c1cncc(C#N)n1 1126237823 DZYUTAZHSWHYLK-NSHDSACASA-N 307.354 -0.048 30 20 DBED CC#CCNCc1nnc2n1CC[C@H](NC(=O)CC(N)=O)CC2 1127985709 YWFFXHATGONJIL-LLVKDONJSA-N 318.381 -0.913 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@@H]1CCCN(C(=O)CC)C1 1128005827 ZVFQROWJEKIGOO-CYBMUJFWSA-N 324.425 -0.357 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)CCN(C)CCC)C1 1129400401 MKQBPPVKHQPRQW-CABCVRRESA-N 318.425 -0.015 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCN[C@H](C)c1n[nH]c(C)n1 1129771032 ODCPAUKCJVGXEC-YPMHNXCESA-N 304.398 -0.022 30 20 DBED COCC#CCNCCNC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F 1130262100 SYIHTVPVBPCSMJ-MNOVXSKESA-N 324.299 -0.312 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](NCCO)[C@H](c2cn(C)cn2)C1 1130590388 NFCJAHCKZOKTHX-DZGCQCFKSA-N 304.394 -0.044 30 20 DBED CN(C)CCOCC(=O)N1C[C@@H]2C[C@@H]3CN(CC#N)C[C@]2(C1)O3 1131286446 XGEBNUCZCCXEJX-SQWLQELKSA-N 322.409 -0.610 30 20 DBED C=CCCCN1CCN([C@@H]2CCCN(C(=O)C(N)=O)C2)C(=O)C1 1131717321 PXXNTCYUQBJDNO-CYBMUJFWSA-N 322.409 -0.427 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)CCN(C)C)CC[C@H]1C 1132272947 CJNIGUYBPUCNMD-KGLIPLIRSA-N 308.426 -0.343 30 20 DBED C[C@H]1CC[C@@H](NC(=O)c2ccncn2)CN1CC(=O)NCC#N 1132372627 RWMKSUJLJPAMSP-NWDGAFQWSA-N 316.365 -0.301 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)C1(C(N)=O)CC1 1133188826 AWXMLVFNZCUROJ-UHFFFAOYSA-N 308.382 -0.842 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)C[C@@H](C)NCCOCCO 1134129986 ARXPALSFNFYIRB-CHWSQXEVSA-N 313.398 -0.992 30 20 DBED Cc1[nH]nc(C(C)C)c1C(=O)NCCNCC(=O)NCC#N 1147109039 JBDFKBBRLYOPAS-UHFFFAOYSA-N 306.370 -0.199 30 20 DBED C#CCCCC(=O)N1CC2(CCN(CC(=O)NC(=O)NC)C2)C1 1147427856 AICDIVSZGJNOJV-UHFFFAOYSA-N 320.393 -0.220 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@@]12CCCN(CC1)C2 1149252950 DXPNXIARJBDABK-CJNGLKHVSA-N 306.410 -0.684 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)CCc1ncc[nH]1 1153115033 KINOJKMVVWBXCW-CYBMUJFWSA-N 319.409 -0.082 30 20 DBED C#CCCN(CC)[C@H](C)CNC(=O)CS(=O)(=O)CCOC 1154046737 ZQPQKFOLNKRFPH-CYBMUJFWSA-N 318.439 -0.103 30 20 DBED C=CCNCC1(CCNC(=O)[C@H](CCC(N)=O)NC(C)=O)CC1 1167466151 DKJLKJZDAGRIPP-ZDUSSCGKSA-N 324.425 -0.181 30 20 DBED C=CCNCCCC[C@H](C)NC(=O)CNC(=O)CNC(C)=O 1171563761 ZTXDBUQWQBTCEQ-LBPRGKRZSA-N 312.414 -0.311 30 20 DBED C=CCNCCCC[C@@H](C)NC(=O)CNS(=O)(=O)N(C)C 1175503445 PQYIYUNELRICNQ-GFCCVEGCSA-N 320.459 -0.167 30 20 DBED COCC#CCN1CCO[C@H]2CCN(C(=O)c3cnon3)C[C@@H]21 1177113490 VUVWOHHZLOUVAG-KBPBESRZSA-N 320.349 -0.365 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)CCCCC(=O)NC 1177244809 PJEOCCJTURXDFO-ZDUSSCGKSA-N 324.425 -0.473 30 20 DBED CC#CCNC[C@@H]1C[C@H]2CC[C@H]1N(C(=O)Cn1ncnn1)C2 1177757008 MVMCMIDMXDVGQT-HZSPNIEDSA-N 302.382 -0.087 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@H](NCc2cnn(C)n2)[C@@H]1C 1178679145 ZUBJEXSQVIVUMH-OBJOEFQTSA-N 305.382 -0.068 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2c(C)ncn2C)[C@H]1C 1178940543 KQAMPCYMCRMQTB-STQMWFEESA-N 317.393 -0.329 30 20 DBED C[C@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)C[C@@H]1CCN(C)C1 1179935299 ALGBVTNHJXBXAB-IHRRRGAJSA-N 321.425 -0.453 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)CCOCC2CC2)C1 1182521834 CLMWLOGZYCYEHK-CQSZACIVSA-N 307.394 -0.257 30 20 DBED C[C@H]1CN(C(=O)CCNS(C)(=O)=O)CC[C@H]1CNCC#N 1184525444 WPGQIPIPZVJVHH-RYUDHWBXSA-N 316.427 -0.477 30 20 DBED C#CCCN[C@@H]1CCN(C(=O)[C@@H](CCC)S(N)(=O)=O)C1 1184584680 GFBSFVOWVOZDMO-VXGBXAGGSA-N 301.412 -0.343 30 20 DBED C#CCCNC[C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C[C@@H]1C 1184932667 ADOFIFLSCQNLBD-GJZGRUSLSA-N 320.437 -0.484 30 20 DBED C#CCN[C@@H]1CCCO[C@H]1C1CCN(C(=O)CNC(N)=O)CC1 1186114800 PHOHPBBUYGHFAD-HIFRSBDPSA-N 322.409 -0.336 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3coc(C)n3)[C@@H]2C1 1187646218 LCCZNJPACYBHOE-GXTWGEPZSA-N 316.361 -0.121 30 20 DBED CCN1CCCC[C@@H]1C(=O)N1CC[C@@H](NCC(=O)NCC#N)C1 1188138850 FGTSKBZADJDYOQ-ZIAGYGMSSA-N 321.425 -0.309 30 20 DBED C[C@@H](OCC1CC1)C(=O)N1CC[C@H](N(C)CC(=O)NCC#N)C1 1189231938 NQAFRWRZKGCHKV-OCCSQVGLSA-N 322.409 -0.026 30 20 DBED C#CCCCC(=O)N1CC[C@@H](N(C)CCN2C(=O)CNC2=O)C1 1189927452 YFCFZOQUQXMNCF-CYBMUJFWSA-N 320.393 -0.126 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)c2coc(C)n2)C1 1192430127 ZKMVNSRRICWYBF-UFGOTCBOSA-N 322.365 -0.551 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2cnn(C)n2)C1 1192836964 FBRVEJOVKIUHKJ-LLVKDONJSA-N 306.370 -0.736 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCCN(C(=O)c2cnccn2)CC1 1194689588 KUWIHNQOVOEWAB-CYBMUJFWSA-N 315.377 -0.238 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)[C@H](C)C(F)(F)F)C1 1195399462 AYZATWCRNSMFSC-HBNTYKKESA-N 308.300 -0.004 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2ccn(C)n2)C[C@H]1O 1199312960 IFIVZULLOBYKKU-MRVWCRGKSA-N 308.382 -0.328 30 20 DBED C[C@@](O)(CC(=O)N1CCC(NCC(=O)NCC#N)CC1)C1CC1 1200094537 DOAYMPPAQZZUIF-MRXNPFEDSA-N 322.409 -0.242 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)CC2OCCCO2)CC1 1200225127 ONTXECYNWHLWCC-UHFFFAOYSA-N 323.393 -0.531 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)Cn2nccn2)CCCO1 1200598164 MZKZUNUOPLDZLZ-CQSZACIVSA-N 321.381 -0.865 30 20 DBED CC#CCNC1CCN(C(=O)CCc2nnc(O)nc2O)CC1 1201428064 GYVSIFTVIAMDMI-UHFFFAOYSA-N 319.365 -0.181 30 20 DBED C#CCNC[C@@H]1CN(C(=O)[C@H]2CCCC(=O)N2C)CCCO1 1201965351 KLUHHSGXXIYVHL-ZIAGYGMSSA-N 307.394 -0.162 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)Cc2nc[nH]n2)CC1 1203278327 ZDACQAISEDTILH-UHFFFAOYSA-N 306.370 -0.770 30 20 DBED C#CCCNC1CCN(C(=O)CCCN2C(=O)CNC2=O)CC1 1203648151 DLWLNVJUQMPNCI-UHFFFAOYSA-N 320.393 -0.078 30 20 DBED CC(C)N(C)CC(=O)N1CCC(NCC(=O)NCC#N)CC1 1203925259 MBOAWVOABYIYPR-UHFFFAOYSA-N 309.414 -0.453 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CNCCN2CCNC2=O)CC1 1204804919 IJKSOQRLBGMQEH-GFCCVEGCSA-N 307.398 -0.001 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)C[C@](C)(O)C1CC1 1206877432 JOMZDYXLINDSMS-KFNAQCHYSA-N 322.409 -0.386 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)CCCC(=O)NC)[C@H](C)C1 1206894118 YSLUNCLZZAWKHM-CHWSQXEVSA-N 324.425 -0.359 30 20 DBED C#CCCN[C@@H]1CCCN(C(=O)COCc2ncnn2C)C1 1210413154 VRYRQWWIIZITGJ-CYBMUJFWSA-N 305.382 -0.064 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)CNC(=O)c1ccco1 1213811359 QFILWWAHLASHEL-ZYHUDNBSSA-N 306.322 -0.652 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](NCCN(C)S(C)(=O)=O)[C@H](C)C1 1214337794 DGHGXWYXNAXHAV-QJPTWQEYSA-N 316.427 -0.526 30 20 DBED CC#CCN[C@@H]1CN(C(=O)Cn2ccc(O)nc2=O)C[C@H]1C 1215082485 VOHWZGNWYNSTFV-VXGBXAGGSA-N 304.350 -0.591 30 20 DBED C[C@@H]1CN(C(=O)[C@H]2OCC[C@H]2C)C[C@H]1NCC(=O)NCC#N 1215603167 ZCHWBZYSOVUIFF-BYNQJWBRSA-N 308.382 -0.512 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H](CC)NC(C)=O 1218676639 JEFFKYHLOWQDIU-QLFBSQMISA-N 307.394 -0.164 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)COCCN(C)C 1218971286 WBIOCVMHUAEJIC-LSDHHAIUSA-N 309.410 -0.501 30 20 DBED Cc1nn(C)cc1CN1C[C@H](O)[C@H](NC(=O)CSCC#N)C1 1219219801 NSJMLQUIVYNFJD-OLZOCXBDSA-N 323.422 -0.353 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)CCC(=O)NCC)C1 1219351024 WISLJAHCBHNNBQ-OLZOCXBDSA-N 313.398 -0.733 30 20 DBED C#CCCCC(=O)N[C@@H]1CN([C@H](C)c2nncn2C)C[C@@H]1O 1219539650 UWOZRNBFFZKULK-UPJWGTAASA-N 305.382 -0.159 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)CCC(=O)N(CC)CC)C1 1221044581 CPTOHMLSDZBRKS-KGLIPLIRSA-N 309.410 -0.180 30 20 DBED C#CCOCCC(=O)N1C[C@H]2CCN(Cc3cn(C)nn3)C[C@H]21 1221544769 GSPGGRJISCRJNY-UKRRQHHQSA-N 317.393 -0.112 30 20 DBED N#CCNC(=O)CN1CCC(NC(=O)c2ccnc(O)c2)CC1 1226866024 AEOYSHGUXPYKMN-UHFFFAOYSA-N 317.349 -0.379 30 20 DBED C#CCN1CCS(=O)(=O)[C@H](CCNC(=O)c2ncc[nH]2)C1 1230459863 KXWFCUJQMHDNNQ-LLVKDONJSA-N 310.379 -0.738 30 20 DBED CN(C[C@@H]1CCCC[C@@H]1O)C(=O)C(=O)N1CC[C@](O)(CC#N)C1 1261485900 MPLQOHWWEQHJPO-HEHGZKQESA-N 323.393 -0.127 30 20 DBED CN(C[C@@H]1CCCC[C@H]1O)C(=O)C(=O)N1CC[C@](O)(CC#N)C1 1261485901 MPLQOHWWEQHJPO-WOSRLPQWSA-N 323.393 -0.127 30 20 DBED CC(C)N1CC[C@@H](NC(=O)C(=O)Nc2cnn(CC#N)c2)C1=O 1319440773 CRKOOZAVVVQXIK-LLVKDONJSA-N 318.337 -0.529 30 20 DBED N#CCCCNC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 1320351414 FXWYDAHGCWSYBT-GHMZBOCLSA-N 313.379 -0.558 30 20 DBED CN(CCN(C)C1CC1)C(=O)C(=O)Nc1cnn(CC#N)c1 1320730117 KIZXETMPCSJJAD-UHFFFAOYSA-N 304.354 -0.102 30 20 DBED Cn1cnnc1-c1cncc(NC(=O)Cn2cnc(C#N)n2)c1 1322967259 WSMDGGSKWRSKSJ-UHFFFAOYSA-N 309.293 -0.021 30 20 DBED N#CCNC(=O)CNC(=O)C(=O)Nc1ccc2ncccc2c1 1323055324 SDKZOFUJQJNQQV-UHFFFAOYSA-N 311.301 -0.071 30 20 DBED C=CC[C@H](CC)NC(=O)C(=O)N1CCN(CC(=O)N(C)C)CC1 1323102583 VSQQIBPYSCBHSP-ZDUSSCGKSA-N 324.425 -0.310 30 20 DBED C[C@]1(O)CCCN(C(=O)C(=O)NC2CCN(CC#N)CC2)C1 1326507206 XAIISMSVPRQIQZ-HNNXBMFYSA-N 308.382 -0.536 30 20 DBED C[C@@H]1C[C@@H](NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)CO1 1326749939 OSAQRNYVUYKCQU-CMPZMUMBSA-N 308.338 -0.011 30 20 DBED C=CC1CCN(C(=O)C(=O)N2CCO[C@@H](CNC(C)=O)C2)CC1 1328398437 RKRDNWCVUZVXEA-AWEZNQCLSA-N 323.393 -0.226 30 20 DBED C#CC1CCN(C(=O)C(=O)N2C[C@@H](O)C[C@@H](C(=O)OC)C2)CC1 1328446126 VYMXHTGNAKKUKL-OLZOCXBDSA-N 322.361 -0.759 30 20 DBED CCN1CCCC[C@H]1CNC(=O)C(=O)N1CCO[C@H](C#N)C1 1328528011 WOSLXLBXJOCIOV-QWHCGFSZSA-N 308.382 -0.272 30 20 DBED COC[C@@H](O)CCNC(=O)C(=O)Nc1cc(C)c(C#N)cn1 1332892196 ITGVQTFXPKEAHO-NSHDSACASA-N 306.322 -0.286 30 20 DBED C=CCN1CC[C@@H](N(C)c2nnnn2C[C@@H]2CCOC2)C1=O 1333728905 GZPDIUKIWZJZBK-NWDGAFQWSA-N 306.370 -0.067 30 20 DBED C#CCOCCn1nnnc1N(C)C[C@H]1CCN(C(C)=O)C1 1334472465 TYZBLNYCZHHIPH-CYBMUJFWSA-N 306.370 -0.373 30 20 DBED Cc1ncccc1CCNC(=O)C(=O)N1CCO[C@@H](C#N)C1 1335242499 QKEAIUHCYLSNAM-ZDUSSCGKSA-N 302.334 -0.200 30 20 DBED CCCC[C@H](CN)NC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1336962660 ZAIIHUFIAKLBFL-OCCSQVGLSA-N 321.425 -0.181 30 20 DBED C#CC1CCN(c2nnc(-c3cn(CCO)nn3)n2C)CC1 1338573627 PQXFEVDQFLLIGN-UHFFFAOYSA-N 301.354 -0.085 30 20 DBED N#CC1(CNC(=O)C(=O)Nc2ccnc(OCCO)c2)CC1 1350146232 RSCBSTLTAGFWKW-UHFFFAOYSA-N 304.306 -0.189 30 20 DBED N#C[C@@H](C(=O)C[C@H]1CCCO1)C(=O)N1CCS(=O)(=O)CC1 1356016811 ITETZWLITONVAP-MNOVXSKESA-N 314.363 -0.479 30 20 DBED N#Cc1cn(CCC(=O)NC[C@H]2CCCOC2)c(=O)nc1O 1362784686 PNUBWKXMKUWWAR-SNVBAGLBSA-N 306.322 -0.247 30 20 DBED CC[C@H](C)[C@H](CNC(=O)Cn1cc(C#N)c(O)nc1=O)OC 1363297779 HANJVOBEDQASIO-ONGXEEELSA-N 308.338 -0.002 30 20 DBED CN1C(=O)Cc2cc(CNC(=O)Cn3cnc(C#N)n3)ccc21 1363916830 NXPJZRHVUALLPJ-UHFFFAOYSA-N 310.317 -0.015 30 20 DBED CCc1nc(C(=O)NCCn2cc(C#N)c(O)nc2=O)co1 1364108088 MIHWBGIYCLAGRT-UHFFFAOYSA-N 303.278 -0.199 30 20 DBED C=C(Cl)CN1CCN(C(=O)Cn2cnc(C(N)=O)n2)CC1 1364945668 IURSFWKWUBSHNE-UHFFFAOYSA-N 312.761 -0.726 30 20 DBED Cn1cnc(C(=O)NC[C@@H](O)CNCc2ccccc2C#N)n1 1367583567 MDLMCEXIVYIWBM-ZDUSSCGKSA-N 314.349 -0.433 30 20 DBED CCC(=O)NCC(=O)N1CC[C@H](CN(C)C(=O)[C@@H](C)C#N)C1 1374460773 QLCBJCQWDXUFBJ-NWDGAFQWSA-N 308.382 -0.021 30 20 DBED C=C(Cl)CNC[C@H](O)CNC(=O)c1ccc(C(N)=O)[nH]1 1379241352 KVBHZLPKDNIZJK-QMMMGPOBSA-N 300.746 -0.454 30 20 DBED COCCN(CCNC(=O)[C@@H](C)C#N)C(=O)[C@H]1CCC(=O)N1 1384410248 LOSZDSNCBQAUGN-WDEREUQCSA-N 310.354 -0.984 30 20 DBED CNC(=O)NCCC(=O)N1CCC(CNC(=O)[C@@H](C)C#N)CC1 1385446340 ODWRYNVIPDAJDO-NSHDSACASA-N 323.397 -0.180 30 20 DBED C[C@H](CNC(=O)[C@H](C)C#N)NC(=O)Cc1nnn(C(C)(C)C)n1 1386456391 KHDASKKRUDOOQV-NXEZZACHSA-N 321.385 -0.249 30 20 DBED CNC(=O)NCCC(=O)NC[C@H]1CCCN1C(=O)[C@H](C)C#N 1387350822 ZPSHFIUAFSCACN-GHMZBOCLSA-N 309.370 -0.428 30 20 DBED C[C@H](CNC(=O)c1ccoc1CC(N)=O)CNC(=O)[C@H](C)C#N 1391331533 NTMFOQXBEURGFV-VHSXEESVSA-N 320.349 -0.051 30 20 DBED CCN(CCNC(=O)[C@H](C)C#N)C(=O)[C@H]1CCS(=O)(=O)C1 1398131430 AFUVHCHWVVZKOM-MNOVXSKESA-N 315.395 -0.455 30 20 DBED C=C(Cl)CN[C@@H](CC)CNC(=O)c1cn(CC(N)=O)nn1 1400921112 PRWBEBKYRWQNEG-VIFPVBQESA-N 314.777 -0.386 30 20 DBED C=C(Cl)CN1CC[C@@](O)(CNC(=O)Cc2n[nH]c(C)n2)C1 1402275821 RYDGZKKNNBXQSD-CYBMUJFWSA-N 313.789 -0.039 30 20 DBED C=C(Cl)CNC[C@@H](O)CN(C)C(=O)c1nnn(C)c1C 1425982395 AUFGPVLHDDGPAZ-SNVBAGLBSA-N 301.778 -0.101 30 20 DBED C[C@@H](C#N)C(=O)NCCN1CCN(C(=O)CCCC(N)=O)CC1 1446923803 QZXAIMFYYXPKKG-LBPRGKRZSA-N 323.397 -0.938 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCN(C)C(=O)[C@@H]1CCc2nncn2C1 1457800894 YBPTWWFWUZXDFA-NWDGAFQWSA-N 318.381 -0.083 30 20 DBED C=CCNC(=O)CNC[C@H]1CCCN1C(=O)[C@H]1CCCC(=O)N1 1499903791 CQGXQXJLPIMQAY-CHWSQXEVSA-N 322.409 -0.462 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(Cc2ncnn2C(C)(C)C)C1 1500806233 LBRRQGJKVCWISV-NSHDSACASA-N 320.397 -0.144 30 20 DBED C[C@@H](CNC(=O)Cn1ncnn1)N(C)C(=O)c1cc(C#N)c[nH]1 1508880343 XHFKVBGZHXHBAW-VIFPVBQESA-N 316.325 -0.850 30 20 DBED C=CCOC[C@H](NC(=O)CN1CCCCC(=O)C1=O)C(=O)O 1573369738 YZISPDHRBUTXFZ-JTQLQIEISA-N 312.322 -0.660 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN(C)C[C@H](C(=O)O)C1 1588547463 KFKBIMAYHJKMKM-QWHCGFSZSA-N 311.382 -0.068 30 20 DBED C=CCOCC(=O)N1CCCN(C(=O)[C@H]2C[C@H]2C(=O)O)CC1 1588849615 CEMACDAZKKPLJI-NWDGAFQWSA-N 310.350 -0.029 30 20 DBED CCN1CCN(C(=O)CNC(=O)[C@](C)(C#N)CC(=O)O)CC1 1589744630 WUYSQQHGASWPFZ-AWEZNQCLSA-N 310.354 -0.729 30 20 DBED COC(=O)[C@@H]1C[C@@H]1CNc1cnc(-c2nn[nH]n2)c(C#N)n1 1591280707 JPAIGXGIQLTCOI-RNFRBKRXSA-N 300.282 -0.251 30 20 DBED CCOC[C@H](C(=O)O)N(C)S(=O)(=O)N(CC)CCC#N 1596884744 QCTKHAJANOESGZ-SNVBAGLBSA-N 307.372 -0.112 30 20 DBED C[C@H](NC(=O)[C@H](C)NC(=O)N1CC[C@@](F)(C#N)C1)C(=O)O 1599897793 NKQJNEAHWJEAMJ-YVZVNANGSA-N 300.290 -0.389 30 20 DBED N#CCN(CC(=O)O)C(=O)Cn1nnnc1-c1ccccc1 1601069825 SFMHMYZCZAFRCG-UHFFFAOYSA-N 300.278 -0.223 30 20 DBED C#CCN(CC(=O)O)c1nnnn1C[C@H]1C[C@@H]2COC[C@@H]2O1 1602700591 AORFFKIJVCDVMK-MXWKQRLJSA-N 307.310 -0.999 30 20 DBED CN(CCN(C)c1ccc(C#N)nn1)C(=O)[C@H]1C[C@H]1C(=O)O 1606126652 KHFXSNWUXINUSI-WDEREUQCSA-N 303.322 -0.036 30 20 DBED N#CCN(CC#N)C(=O)CNC(=O)c1ccc(-c2nn[nH]n2)cc1 1606349920 LGKNIYSXYSSAFR-UHFFFAOYSA-N 324.304 -0.528 30 20 DBED C[C@H]1CN(c2nccnc2C#N)CCN1C[C@@](C)(O)C(=O)O 1609875837 RINJFGMEDYLQIG-IINYFYTJSA-N 305.338 -0.306 30 20 DBED Cn1c(=O)[nH]c(N2CCN(C3CCOCC3)CC2)c(C#N)c1=O 1646632913 VWWQBQAGBKIGIZ-UHFFFAOYSA-N 319.365 -0.754 30 20 DBED CC(=O)N[C@H]1CCCN(C(=O)CN2CC[C@](O)(CC#N)C2)C1 1649846914 KBYJYRXLFIVVDN-DZGCQCFKSA-N 308.382 -0.536 30 20 DBED C#CCCN1CCN(CCNC(=O)c2ncc(OC)cn2)CC1 1752366830 BECRYKVOSLRZPE-UHFFFAOYSA-N 317.393 -0.144 30 20 DBED C=CCNC(=O)CN(C)CC1CCN(C(=O)c2cnn[nH]2)CC1 1753365081 JTNKBFJNEWPMFN-UHFFFAOYSA-N 320.397 -0.109 30 20 DBED C=C[C@](C)(CC)C(=O)NC[C@H](O)CNCC(=O)NC(=O)NC 1753924841 CVDVBYVBOCBMMY-QMTHXVAHSA-N 314.386 -0.889 30 20 DBED CC#CCNCC[C@@H](C)NC(=O)CN1CCCS1(=O)=O 1753985913 ZGFYJCMQYMCDKE-GFCCVEGCSA-N 301.412 -0.470 30 20 DBED C[C@H](CNCC(=O)NC[C@@H]1CCCO1)NC(=O)C#CC1CC1 1754226544 QVPHGEBIDQPYTD-OCCSQVGLSA-N 307.394 -0.211 30 20 DBED N#CCNC(=O)CN1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1cncc(F)c1 1754421964 RSWZYVDHCFOHQS-SCDSUCTJSA-N 317.324 -0.337 30 20 DBED COCC#CCN1CC(N(C)C(=O)COCc2nccn2C)C1 1754578397 FZOKOWBTMFPUDI-UHFFFAOYSA-N 320.393 -0.271 30 20 DBED C=CCN1CC[C@@](O)(CNC(=O)[C@@H]2CCCN(C(N)=O)C2)C1 1754752168 CHOYKSVHMVJGON-IUODEOHRSA-N 310.398 -0.484 30 20 DBED C#CCNC(=O)CNCCN(CCO)C(=O)c1cccc(F)c1 1754875541 BPSHXYQXCSAXBH-UHFFFAOYSA-N 321.352 -0.401 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)Cc1c(C)nc(O)nc1O 1754972937 SBWKRHITWJPNRO-LLVKDONJSA-N 320.349 -0.811 30 20 DBED CC[C@H](F)C(=O)N[C@H]1COC2(C1)CN(CC(=O)NCC#N)C2 1755063345 LROKLDZMIMIAGH-MNOVXSKESA-N 312.345 -0.666 30 20 DBED C#CCNC(=O)CN1CC([C@H](C)NC(=O)c2cnn(CC)c2)C1 1755380383 DJGFTQQHHCILDU-LBPRGKRZSA-N 317.393 -0.298 30 20 DBED C=CCCN[C@H](CO)CNC(=O)[C@@H]1CCc2nnn(C)c2C1 1755637187 VKZMELPGVABQFA-NEPJUHHUSA-N 307.398 -0.437 30 20 DBED C#CCNC(=O)CNC[C@H](O)CN(C)C(=O)C1CCC=CCC1 1755795621 IHTKYJCJQNGQRX-HNNXBMFYSA-N 321.421 -0.109 30 20 DBED CN(C(=O)C#CC1CC1)C1CCC(NC(=O)CNC(N)=O)CC1 1755984835 VOPLUOQPWUICMZ-UHFFFAOYSA-N 320.393 -0.046 30 20 DBED C[C@H](C#N)C(=O)NCCOCCN(C)C(=O)[C@H]1CC(=O)N(C)C1 1756381298 CUAPOAWVTDOZSL-NEPJUHHUSA-N 324.381 -0.784 30 20 DBED C[C@H](CN1CCOCC1)N(C)c1[nH]c(=O)n(C)c(=O)c1C#N 1772117663 QFAFLWWFFILVAO-SNVBAGLBSA-N 307.354 -0.898 30 20 DBED O=C(O)CNS(=O)(=O)c1ccc(C=NNc2nc[nH]n2)cc1 1776080082 HAHWBPJLHDHNAR-UHFFFAOYSA-N 324.322 -0.386 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cncnc1 1794165529 QZDLCOBJONOBSC-YWVIFJGQSA-N 314.345 -0.758 30 20 DBED CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)S)C2)C1 1835206666 RJZKIDAFRWJTFB-GXFFZTMASA-N 302.396 -0.219 30 20 DBED N#CCCC(=O)N1CCCC12CN(C(=O)c1c[nH]c(=O)cn1)C2 1842813729 VVOPJWQXZBMSBO-UHFFFAOYSA-N 315.333 -0.109 30 20 DBED C[C@H](S)C(=O)N1CC2(CCCN2C(=O)COCCO)C1 1845213440 OGVQGDRJHSTHCH-JTQLQIEISA-N 302.396 -0.483 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC(C(=O)N2CCOCC2)CC1 42355818 OXYUPZPLHFEBEV-ZDUSSCGKSA-N 307.394 -0.305 30 20 DBED CN(CCC#N)C(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 104320006 PXSLEGCHMGJKOD-CYBMUJFWSA-N 308.382 -0.461 30 20 DBED CNS(=O)(=O)[C@H]1CCN(CC(=O)N[C@](C)(C#N)C2CC2)C1 155829559 PTHALURTUSODTC-WCQYABFASA-N 314.411 -0.582 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)c2cccnc2)CC1 264153438 IYXGXSINYVHPSA-UHFFFAOYSA-N 300.362 -0.021 30 20 DBED C#CC[C@@H](NS(=O)(=O)c1ccc(C(=O)OC)o1)C(=O)O 274978874 JLAMAQHWAYSJNH-SSDOTTSWSA-N 301.276 -0.179 30 20 DBED C=CCCO[C@@H](C)C(=O)NCCNS(=O)(=O)NC(C)C 277726954 ZQRSSWSKHXINNZ-NSHDSACASA-N 307.416 -0.084 30 20 DBED CC[C@@]1(C)NC(=O)N(NS(=O)(=O)N(C)[C@@H](C)CC#N)C1=O 289229111 RLYWHVFRDLOTSP-GZMMTYOYSA-N 317.371 -0.310 30 20 DBED N#Cc1ccc(S(=O)(=O)CCN(CCO)CCCO)nc1 290496431 XZTCDZSTQQTSMY-UHFFFAOYSA-N 313.379 -0.596 30 20 DBED CC(C)N1C[C@@H](/N=C(/O)CN2CCCS2(=O)=O)CC1=O 329680783 ROGBTVCEGLMQKC-JTQLQIEISA-N 303.384 -0.012 30 20 DBED Cn1c(N2CCC[C@@H]([C@@H]3CCNC3)C2)c(C#N)c(=O)n(C)c1=O 333840902 LDBZYPIBBQLXCO-VXGBXAGGSA-N 317.393 -0.218 30 20 DBED CN(C[C@H](O)C(F)(F)F)S(=O)(=O)N1CCO[C@@H](C#N)C1 336898073 UOSDEMJFWJXUFH-YUMQZZPRSA-N 317.289 -0.689 30 20 DBED CS[C@H](CO)[C@@H](C)NS(=O)(=O)N1CCO[C@H](C#N)C1 336937040 GPNBKPBEHZJTIB-OPRDCNLKSA-N 309.413 -0.842 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N1CSC[C@@H]1C(=O)N(C)C 337079396 UORPXOKJYLSBKI-NXEZZACHSA-N 320.440 -0.214 30 20 DBED COCCN(CCO)S(=O)(=O)N(CCC#N)CCOC 337091821 LQSQCEWZEJUBDZ-UHFFFAOYSA-N 309.388 -0.966 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N1CCC[C@H](S(C)(=O)=O)C1 337809392 LEJWUBIQDMBWFY-MNOVXSKESA-N 323.440 -0.026 30 20 DBED C=CC[C@H](CO)NC(=O)NCCS(=O)(=O)N(CC)CC 341216651 MSYRRXYETIQLBM-LLVKDONJSA-N 307.416 -0.106 30 20 DBED C=CC[C@H](CO)CNC(=O)NCc1cn(CC(=O)OC)nn1 341842523 KASGADOWNONISP-JTQLQIEISA-N 311.342 -0.565 30 20 DBED COC(=O)c1cc(S(=O)(=O)N2CCO[C@H](C#N)C2)cn1C 342278810 CRGAPRNUOWYSSE-SECBINFHSA-N 313.335 -0.275 30 20 DBED C[C@H]1Oc2c(cccc2C(=O)NCC(=O)NCC#N)NC1=O 344244166 QOPRDQRCDCCPFA-MRVPVSSYSA-N 302.290 -0.224 30 20 DBED CC[C@@H](C)[C@H](O)CNC(=O)C(=O)Nc1cc(C)n(CCC#N)n1 348810393 LXMBFRGQRGTHGP-ZYHUDNBSSA-N 321.381 0.567 30 20 DBED CCN1C(=O)[C@@H]2CN([C@@H](C)C(=O)N(C)CCC#N)CCN2C1=O 369451928 MFRVBTJTKOUBKB-RYUDHWBXSA-N 321.381 -0.285 30 20 DBED CN(C)C(=O)N1CCN(C(=O)Cn2cnc(C#N)n2)C(C)(C)C1 408128962 MMHNMAVICMREEF-UHFFFAOYSA-N 319.369 -0.246 30 20 DBED C=CCn1c(CCCC)nnc1N1CCN(CC(N)=O)C(=O)C1 414521336 BOCPHICRIIXWMC-UHFFFAOYSA-N 320.397 -0.059 30 20 DBED Cc1c(C(=O)N(C)CC#N)cnc2c1c(=O)n(C)c(=O)n2C 438906681 FHWMRCSXFNQJNG-UHFFFAOYSA-N 301.306 -0.464 30 20 DBED C#CCNC(=O)CCNCc1ccc(OCC(N)=O)c(OC)c1 491121954 STFDSKDFOIYZOO-UHFFFAOYSA-N 319.361 -0.212 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@H](CC)C(=O)OC)CC1 491155478 ROCHEVCLJIQUIM-LBPRGKRZSA-N 309.366 -0.921 30 20 DBED C#C[C@H](CC)NC(=O)CCNS(=O)(=O)c1cn(C)c(C)n1 491708461 PWPYZMFYBJKKAU-LLVKDONJSA-N 312.395 -0.075 30 20 DBED C#CCN(C)CCCNC(=O)CCN1CCCS1(=O)=O 491787309 VVVVDDNTLKFDPV-UHFFFAOYSA-N 301.412 -0.517 30 20 DBED CC[C@@H](CC#N)NCCn1cnc2c1c(=O)n(C)c(=O)n2C 516580604 LVZAMZRXIYDFMH-JTQLQIEISA-N 304.354 -0.284 30 20 DBED N#Cc1ccccc1OCC(=O)NC[C@@H]1CS(=O)(=O)CCO1 535786781 SSEZVWMOOBZGTH-GFCCVEGCSA-N 324.358 -0.133 30 20 DBED N#Cc1ccc(S(=O)(=O)NCC(=O)NC[C@@H]2CCCN2)cc1 570211930 KMAYDMFLQYKIFQ-LBPRGKRZSA-N 322.390 -0.295 30 20 DBED C=CCC[C@H](CO)NS(=O)(=O)c1cnn(CC(=O)OC)c1 570529845 XYQOYGRXCZEVKF-SNVBAGLBSA-N 317.367 -0.339 30 20 DBED N#Cc1nccc(N2CCN(C(=O)C(=O)N3CCCC3)CC2)n1 573862369 JEUIXKWXVWQDAP-UHFFFAOYSA-N 314.349 -0.381 30 20 DBED COC(=O)[C@@H](O)CNC[C@@H](O)COc1ccc(CC#N)cc1 578652028 VKUAJXJEHKMEJP-OCCSQVGLSA-N 308.334 -0.384 30 20 DBED CN(CCOCCN=c1cc[nH]c(C#N)n1)c1ccnc(C#N)n1 596501985 JOXIYOSVWQGGBH-UHFFFAOYSA-N 324.348 -0.003 30 20 DBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H]1CC(=O)N1 597374610 KVFGTNXNXQPUDC-VHSXEESVSA-N 300.322 -0.726 30 20 DBED CN(CC(C)(C)CN)C(=O)C(=O)N1CCN(CCC#N)CC1 601582038 JOVIORSBXBCJTJ-UHFFFAOYSA-N 309.414 -0.512 30 20 DBED CC#CC[C@@H](CO)NC(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1 627976954 DAVLISLCINGNDZ-NEPJUHHUSA-N 304.350 -0.337 30 20 DBED CC#CC[C@H](CO)NC(=O)C(=O)Nc1ccc(N(C)C)nc1 646954009 OBJRQHLEFVWYNN-GFCCVEGCSA-N 304.350 -0.023 30 20 DBED C=C[C@H](O)C(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 668593492 ZLEJLNAUQYOWGU-MNOVXSKESA-N 306.384 -0.862 30 20 DBED N#C[C@H]1CSCCN1CN1C(=O)NC2(CCOCC2)C1=O 774642225 KWSVQNGHEUCGEF-JTQLQIEISA-N 310.379 -0.014 30 20 DBED COC(=O)[C@@H]1CN(Cn2nc(CC#N)n(C)c2=S)CCO1 794626591 SRYJWSPEMNTRAL-VIFPVBQESA-N 311.367 -0.152 30 20 DBED C#CCC[C@H](O)CNC(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O 798417402 YXSQDNBREGOIKP-STQMWFEESA-N 319.365 -0.401 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@@H](O)c1cnn(C)c1 800062795 VSFRFANTUGUWBH-ZYHUDNBSSA-N 315.399 -0.231 30 20 DBED C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCOC 802443391 YONIMOCBIUUULM-JTQLQIEISA-N 315.399 -0.396 30 20 DBED N#CCNC(=O)CNS(=O)(=O)c1cnc(Cl)c(F)c1 805102621 PDOOXUGDJGHYSH-UHFFFAOYSA-N 306.706 -0.208 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)OC2CCOCC2)CC1 810046510 PULXTTVRECFJHC-UHFFFAOYSA-N 309.366 -0.331 30 20 DBED CN(C)c1ncc(C=NNc2ccc(S(N)(=O)=O)cn2)n1C 811638325 MNZVVBROSYJGRG-UHFFFAOYSA-N 323.382 -0.026 30 20 DBED C#CC[C@H](CO)NC(=O)CN(C)S(=O)(=O)c1cccnc1 816673294 WDIIVIAWHRRYED-LLVKDONJSA-N 311.363 -0.798 30 20 DBED C#CC[C@@H](CO)NC(=O)CCn1nc(O)c2ccccc2c1=O 820059688 KSWXNYYHNIXBKH-NSHDSACASA-N 315.329 -0.007 30 20 DBED CC1CC(C#N)(C(=O)NN2C(=O)[C@@H]3[C@H]4C=C[C@@H](O4)[C@@H]3C2=O)C1 828668020 CPMBFXVPKUGJAR-XEGPUMJBSA-N 301.302 -0.104 30 20 DBED C#CCN1CCC[C@H]1C(=O)NN1C(=O)[C@@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C1=O 828680395 KTWSGOMOLQLKEY-CKIKVBCHSA-N 315.329 -0.946 30 20 DBED Cc1ccc(C(=O)N[C@H]2CNC[C@@H]2C#N)cc1S(N)(=O)=O 843461467 LNPCYWJLGVAKCJ-QWRGUYRKSA-N 308.363 -0.516 30 20 DBED N#CCCN(CCC#N)C(=O)COC(=O)C1(n2cnnn2)CC1 849994048 SCZQLCNCWGEXID-UHFFFAOYSA-N 317.309 -0.639 30 20 DBED C=CCCNC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 855380910 MEXZAPZMOPSWNG-SNVBAGLBSA-N 313.379 -0.156 30 20 DBED CS(=O)(=O)NC1CN(C(=O)c2ccccc2OCC#N)C1 862841082 FCPIITQBJWXMPQ-UHFFFAOYSA-N 309.347 -0.037 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@H]2C[C@@H](C)CC(=O)N2)CC1 864658192 ZHYKBFPKFGRAGV-CHWSQXEVSA-N 322.409 -0.653 30 20 DBED N#CCCN(CCN1CCOCC1)C(=O)CN1CCOC1=O 874258675 RTADRXMWYWQQCF-UHFFFAOYSA-N 310.354 -0.487 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N1CCO[C@H](COC)C1 875595315 AFEGGLMSXBCJON-OLZOCXBDSA-N 312.366 -0.595 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N1CCNC(=O)C[C@@H]1C 875600196 WMCFQHDRBJLTPV-NWDGAFQWSA-N 309.366 -0.732 30 20 DBED C#CC[C@H](CO)NS(=O)(=O)c1cc(C(=O)OC)n(C)c1 882343562 WCBHZTGTZNMNHT-SECBINFHSA-N 300.336 -0.526 30 20 DBED C#CCN1CCC[C@@H](NC(=O)NCCS(=O)(=O)NCC)C1 884138644 UQCUOUBESUQJFR-GFCCVEGCSA-N 316.427 -0.678 30 20 DBED C=CCCOCC(=O)O[C@H](C)C(=O)N[C@@H]1CCS(=O)(=O)C1 920724511 FERAAHAJAWNLDR-GHMZBOCLSA-N 319.379 -0.186 30 20 DBED C#CC[C@H](CO)NC(=O)NCC1(CS(C)(=O)=O)CCC1 922913238 UILIUVRXVYGFEL-LLVKDONJSA-N 302.396 -0.115 30 20 DBED CCO[C@H]1CCN(C(=O)C(=O)NC2CCN(CC#N)CC2)C1 930033162 PNWZGJMNLTUCKO-ZDUSSCGKSA-N 308.382 -0.272 30 20 DBED C#CC1(O)CN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1 934447723 GEGZQROOFZVQAR-AWEZNQCLSA-N 304.394 -0.641 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCN(C(=O)CC(C)(C)O)C2)nn1 937971360 UPTYEVKCOLQWPR-NSHDSACASA-N 321.381 -0.044 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@@H]1CCN(C(=O)C(N)=O)C1 939383053 HACQBJZXYBZUIM-WOPDTQHZSA-N 309.366 -0.488 30 20 DBED Cn1nnc(C(=O)NC[C@H]2CCCN2C(=O)C#CC2CC2)n1 944010117 YNQQCBFZSXOAEA-LLVKDONJSA-N 302.338 -0.656 30 20 DBED C#Cc1cncc(C(=O)N2C[C@H]3C[C@H]2[C@@H]3NC(=O)c2nc[nH]n2)c1 947759872 LYAGLCJCAKXJCM-FRRDWIJNSA-N 322.328 -0.176 30 20 DBED C[C@H]1C[C@@H](NC(=O)Cn2cnnn2)CCN1C(=O)C#CC1CC1 955674270 KZUDKCDGWMYFQD-AAEUAGOBSA-N 316.365 -0.418 30 20 DBED C#CCN1C[C@H](CNC(=O)c2cnc3nccnc3c2)[C@@H](O)C1 958139735 OPMXBBWHXPVAEO-JSGCOSHPSA-N 311.345 -0.320 30 20 DBED CC#CCN1C[C@@H](O)[C@H](CNC(=O)c2cncc(OC)n2)C1 958463089 LQFOVWMBCNERPX-DGCLKSJQSA-N 304.350 -0.469 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cc(F)c[nH]2)C1 958893271 OPOBBMPBFLARBS-UWJYBYFXSA-N 308.313 -0.043 30 20 DBED C=C(C)CN1C[C@H]2[C@H](NC(=O)Cn3ccc(O)nc3=O)[C@H]2C1 960862290 GZEJJODKFNGHBN-YABSGUDNSA-N 304.350 -0.429 30 20 DBED N#CCN1C[C@H]2[C@H](NC(=O)c3cnc4sccn4c3=O)[C@H]2C1 960895424 WVRZAMNCVKKUMC-URLYPYJESA-N 315.358 -0.060 30 20 DBED C=CCN1C[C@H]2[C@H](NC(=O)c3nc(C)n(-c4nc[nH]n4)n3)[C@H]2C1 961415989 ADKSUQLBRHYINK-URLYPYJESA-N 314.353 -0.460 30 20 DBED C#Cc1cncc(C(=O)NC2[C@@H]3CN(CC(=O)N(C)C)C[C@@H]23)c1 961711812 JPIZSRNHRXSAFK-ZIAGYGMSSA-N 312.373 -0.189 30 20 DBED C=C1CCC(C(=O)N2CC3(C[C@@H](NC(=O)C(N)=O)CO3)C2)CC1 965791786 SCSWHZZDTGHIMJ-GFCCVEGCSA-N 321.377 -0.296 30 20 DBED CC(=O)N1CC(C(=O)N[C@H]2CN(C(=O)C#CC3CC3)C[C@@H]2C)C1 966394763 CFDFOSLKNQLSLB-NHYWBVRUSA-N 317.389 -0.159 30 20 DBED CCN(C(=O)[C@H]1CN(C)CCO1)C1CN(C(=O)C#CC2CC2)C1 967853711 GEBIIGLSCSNZIE-OAHLLOKOSA-N 319.405 -0.210 30 20 DBED C=CCCn1cc(C(=O)N[C@@H](C)C2CN([C@H](C)C(N)=O)C2)nn1 970553418 WFWXPRQBLIFJOP-WDEREUQCSA-N 320.397 -0.222 30 20 DBED C[C@H]1CCCN1CC(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 970637540 JWOCLTNZGXZMCR-CFVMTHIKSA-N 319.405 -0.428 30 20 DBED Cc1nn(CC(=O)N[C@@H]2CN(CC#N)CC2(C)C)c(=O)n1C 977546695 UMOBOOITYABWEV-LLVKDONJSA-N 306.370 -0.760 30 20 DBED Cn1cc(C(=O)N[C@H]2CN(CC#N)CC2(C)C)c(O)nc1=O 977587360 HDOQGFNYIAUSGP-JTQLQIEISA-N 305.338 -0.550 30 20 DBED N#CCN1CCCC2(C1)CN(C(=O)[C@@H]1CCCN1C(N)=O)C2 982174530 RAGDYNUPOSPPFS-LBPRGKRZSA-N 305.382 -0.023 30 20 DBED C#CCN[C@H]1CCN(C(=O)c2ccc(S(N)(=O)=O)o2)[C@H]1C 986482173 MGPTZGXWFFSVEW-UWVGGRQHSA-N 311.363 -0.247 30 20 DBED C#CCN[C@H]1C[C@@H](C)N(C(=O)c2nc(O)nc(O)c2OC)C1 989677100 VFLXOVNPDCDDIC-BDAKNGLRSA-N 306.322 -0.278 30 20 DBED Cc1nc(O)[nH]c1C(=O)N1CC(NC(=O)c2ccc(C#N)[nH]2)C1 990891531 AMGKOPHLIOOWRR-UHFFFAOYSA-N 314.305 -0.122 30 20 DBED N#Cc1cc(C(=O)N2CC[C@H](NC(=O)C3CC3)[C@@H](O)C2)c[nH]1 991190273 LOCFTVQYGGCQHN-STQMWFEESA-N 302.334 -0.012 30 20 DBED C=CCCn1cc(C(=O)N[C@@H]2CCN(C(=O)CC)C[C@@H]2O)nn1 991497534 GDNXABJOTSNZDJ-YPMHNXCESA-N 321.381 -0.044 30 20 DBED CC#CCN1CCC[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)[C@@H]1C 994332044 UBZFWQKAOSUKQQ-GXTWGEPZSA-N 319.409 -0.117 30 20 DBED C=CCN1CC[C@H](n2cc(CNC(=O)[C@@H]3COC(=O)N3)nn2)C1 999982602 FXYMKTWOVSYXLW-RYUDHWBXSA-N 320.353 -0.565 30 20 DBED COc1c(O)nc(O)nc1C(=O)N1CCC[C@@H](NCC#N)C1 1000688390 PFIDLEHHMNPXEC-MRVPVSSYSA-N 307.310 -0.386 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CC(N)=O)[nH]1 1002081325 HQNVDAXJFJCPOO-JLLWLGSASA-N 315.333 -0.377 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@H]2CCCO2)C1 1002828107 ANFOCLBAQNLLPZ-LSDHHAIUSA-N 319.405 -0.162 30 20 DBED CC#CCN1CCC(NC(=O)CN2C(=O)CN(C)C2=O)CC1 1004110693 NVFZLBCRIMHGIB-UHFFFAOYSA-N 306.366 -0.516 30 20 DBED Cn1nnc(CN2CCC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)n1 1007135064 UJPNEPSBHBRYDF-LLVKDONJSA-N 314.353 -0.196 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCN(Cc3nncn3C)C2)nn1 1015811821 NLKDUHNXBCYRBS-LLVKDONJSA-N 316.369 -0.403 30 20 DBED C=CCN1CC[C@@H](N2CCC3(CC2)C[C@@H]3NC(=O)C(N)=O)C1=O 1016803608 OBPOZANBIWOBAM-NEPJUHHUSA-N 320.393 -0.771 30 20 DBED C#CCCN1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CC(=O)NC(=O)N1 1018007129 ILXQKKGEAINSBK-TUAOUCFPSA-N 304.350 -0.717 30 20 DBED C#Cc1cncc(C(=O)N[C@H]2CC[C@@H](C)N(C(=O)C(N)=O)C2)c1 1018405170 RUYLCWYRQNJXEX-MFKMUULPSA-N 314.345 -0.343 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](NCc2nnnn2C)C1 1018865039 DZYKSTMBKJQGEQ-XQQFMLRXSA-N 320.397 -0.118 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 1019363279 QHHQYBKMQUUQMN-MNOVXSKESA-N 304.350 -0.514 30 20 DBED Cc1noc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2O)c1C 1024295144 VASRSWFZIDYMBF-AVPPRXQKSA-N 306.322 -0.247 30 20 DBED CN1CC(=O)N(CC(=O)N2C[C@@H]3[C@@H](CC[C@H]3NCC#N)C2)C1=O 1026415354 FVWRUSHNPKIFPB-QJPTWQEYSA-N 319.365 -0.769 30 20 DBED C#CCN1CCC[C@@H]1CNC(=O)c1ccc(=O)n(CCOC)n1 1028013526 LVCRECHRXCJHIH-CYBMUJFWSA-N 318.377 -0.283 30 20 DBED C#CCN1CC[C@@H](CNC(=O)c2cc(=O)n3[nH]cnc3n2)C1 1028928842 QYOQVDOKMDNVCS-JTQLQIEISA-N 300.322 -0.898 30 20 DBED C=CCn1cc(C(=O)NCC2CN(Cc3n[nH]c(C)n3)C2)nn1 1032035470 AHBDNRMQYMAQEY-UHFFFAOYSA-N 316.369 -0.248 30 20 DBED C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)CCn1ncn(C)c1=O 1032537487 ABIFHCPPEVGOSY-STQMWFEESA-N 305.382 -0.167 30 20 DBED N#CCN1CCO[C@@H](CNC(=O)[C@@H]2CCn3ccnc3C2)C1 1035418408 HIVZMGAQNMJXFB-OLZOCXBDSA-N 303.366 -0.214 30 20 DBED N#CCN1[C@H]2CCC[C@H]1CN(C(=O)C[C@@H]1NC(=O)NC1=O)C2 1039647142 VODYRLONWZXBLY-DCAQKATOSA-N 305.338 -0.827 30 20 DBED C[C@H]1CCN(C(=O)CC(N)=O)C[C@@H]1CN=c1cc[nH]c(C#N)n1 1039854284 DQXPSYVEULZTEB-QWRGUYRKSA-N 316.365 -0.458 30 20 DBED COCC(=O)N1CC[C@H]2OCCN(c3ccc(C#N)nn3)[C@H]2C1 1039990855 ZGBGIHVUTHHBNT-QWHCGFSZSA-N 317.349 -0.199 30 20 DBED CC(C)C#CC(=O)N1CC[C@](O)(CNC(=O)[C@@]23COC[C@@H]2C3)C1 1040066339 SJRQCWVGFPISSY-JQFCIGGWSA-N 320.389 -0.238 30 20 DBED C[C@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)c2cc[n+]([O-])cc2)C1 1040762361 HNXITCQEGUVSIL-IAQYHMDHSA-N 318.333 -0.827 30 20 DBED C#CCCN1CC[C@@]2(CCN(C(=O)[C@@H]3CN(C)C(=O)N3)C2)C1 1041544426 NPQLMWNYOMIKBO-XJKSGUPXSA-N 304.394 -0.042 30 20 DBED N#Cc1cnc(N[C@@H]2C[C@H]3CC[C@H]2N(C(=O)C(N)=O)C3)cn1 1041678809 MYNPSPRAVSTIDF-FBIMIBRVSA-N 300.322 -0.375 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)c2cnn(C)c2C)C1 1042802745 NNDVWBGJKDSDMM-UHFFFAOYSA-N 318.377 -0.165 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(O)CN(C(=O)c2nocc2C)C1 1042810590 ZEIRQOYGZQCDHF-AWEZNQCLSA-N 323.349 -0.387 30 20 DBED C=C(C)C(C)(C)C(=O)N1CC(O)(CNC(=O)c2cnnn2C)C1 1042857817 WEJPBOXDIZYCIA-UHFFFAOYSA-N 321.381 -0.280 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)C[C@@H](C)n2ccnc2)C1 1043077822 RKDUMZMTFOCLFI-VXGBXAGGSA-N 319.365 -0.317 30 20 DBED C=CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)[C@H](CC)OC)C1 1043570369 HHNSVGUNRZKCDP-RYUDHWBXSA-N 314.382 -0.308 30 20 DBED C#CCN[C@@H]1CCN(C(=O)CN2C(=O)CN(C)C2=O)[C@H](C)C1 1044847585 CGUQASAVROQDNM-VXGBXAGGSA-N 306.366 -0.517 30 20 DBED O=C(NCC1(O)CN(C(=O)C#CC2CC2)C1)c1csc(O)n1 1045050639 LDWRTLGZTKJVJX-UHFFFAOYSA-N 321.358 -0.435 30 20 DBED C[C@@]1(NC(=O)c2cc(C#N)c[nH]2)CCN([C@@H]2CCNC2=O)C1 1046224743 UVFQJSVTTHEVTB-IUODEOHRSA-N 301.350 -0.031 30 20 DBED C=C1CC(C)(C(=O)NCC2(O)CN(C(=O)c3cnon3)C2)C1 1046307698 WSCXNRJYHVTVSL-UHFFFAOYSA-N 306.322 -0.271 30 20 DBED C=C[C@@H](C)[C@H](C)C(=O)N1CC(O)(CNC(=O)Cc2nc[nH]n2)C1 1046910313 XMCYAVOGOXYLGG-MNOVXSKESA-N 321.381 -0.505 30 20 DBED N#CCSCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC(N)=O)C2 1047336133 URPSJLYRRDXGSE-DCAQKATOSA-N 324.406 -0.386 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)Cn2cccc(C)c2=O)C1 1047380051 XDWPANHWIPQFHV-KBPBESRZSA-N 305.378 -0.154 30 20 DBED CN(C(=O)[C@@H]1CCCc2nn(C)cc21)[C@H]1CN(CC#N)C[C@@H]1O 1047500699 FXOBJVCWJGWXAI-UGFHNGPFSA-N 317.393 -0.133 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCc3nn[nH]c32)C1 1047505751 VCRNBAMGRHZOGQ-UBHSHLNASA-N 317.393 -0.249 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2cc(COC)on2)C1 1047554637 HGYTUISAZXSFOK-KBPBESRZSA-N 307.350 -0.039 30 20 DBED CN(C(=O)c1cncnc1C1CC1)[C@H]1CN(CC#N)C[C@@H]1O 1047613576 JOQGRLRLGFWOEY-STQMWFEESA-N 301.350 -0.005 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C(N)=O)ccn2)C1 1047664173 ZLFBJDVVIWQCMB-KBPBESRZSA-N 316.361 -0.679 30 20 DBED N#CCN1[C@H]2CC[C@@H]1C[C@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)C2 1048568462 ADONZAWKMWWRPI-USZNOCQGSA-N 319.365 -0.533 30 20 DBED N#CCN1C[C@H]2CN(C(=O)c3cn([C@@H]4CCOC4)nn3)C[C@H]2C1 1049158674 CSNCTFAFITUZIX-FRRDWIJNSA-N 316.365 -0.233 30 20 DBED C=CCCN1C[C@H]2CN(C(=O)Cn3c(O)nnc3O)C[C@H]2C1 1049191769 ITHJYAKPGYFPMK-PHIMTYICSA-N 307.354 -0.344 30 20 DBED Cc1ccc(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)C#N)C2)nn1 1049394932 OYELXAAQDFFCRT-ICCXJUOJSA-N 317.349 -0.412 30 20 DBED C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)C[C@@H]1NC(=O)NC1=O 1049525313 DSSOKGFSNCZEBC-TUAOUCFPSA-N 304.350 -0.717 30 20 DBED C[C@@H]1[C@@H](NC(=O)[C@H]2CNC(=O)N2)CCN1c1ccc(C#N)cn1 1050951617 CHAJPWGIBZQTTJ-ADEWGFFLSA-N 314.349 -0.282 30 20 DBED C[C@]12CN(C(=O)CC(N)=O)C[C@H]1CN(c1cncc(C#N)n1)C2 1052268582 QMNZZCBECFWMRU-BMIGLBTASA-N 314.349 -0.492 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@@H]1C 1052501684 CMNKPEFQTLHEGA-NWDGAFQWSA-N 321.381 -0.158 30 20 DBED C=CCN1CC2(C1)CN(C(=O)CC1CS(=O)(=O)C1)CCO2 1053321185 ZJMCNNVSHJXMRD-UHFFFAOYSA-N 314.407 -0.480 30 20 DBED Cc1nonc1CC(=O)N1CCN(c2ccc(C#N)nn2)CC1 1055890549 ATEHRVOSBNQBIM-UHFFFAOYSA-N 313.321 -0.069 30 20 DBED Cc1nc[nH]c1C(=O)N[C@]1(CO)CCCN(C(=O)[C@H](C)C#N)C1 1056007736 IUBSRNMBSGJVMU-MEBBXXQBSA-N 319.365 -0.039 30 20 DBED C[C@H](C#N)C(=O)N[C@@]1(CO)CCCN(C(=O)c2ccon2)C1 1056092583 BRTDASOAHUJAKA-YGRLFVJLSA-N 306.322 -0.082 30 20 DBED C[C@H](C#N)C(=O)N[C@@]1(CO)CCCN(C(=O)CCCN(C)C)C1 1056095911 FHRQYEADNUBRLE-CJNGLKHVSA-N 324.425 -0.042 30 20 DBED C[C@@H](C#N)C(=O)N[C@@]1(CO)CCCN(C(=O)Cc2cnoc2)C1 1056095936 FNSPAOZEGOLGQI-NHYWBVRUSA-N 320.349 -0.154 30 20 DBED Cc1nc(CC(=O)NC2[C@H]3CN(c4ccc(C#N)nn4)C[C@H]23)n[nH]1 1056203947 QFRXUKOMNJFORJ-QWRGUYRKSA-N 324.348 -0.432 30 20 DBED Cc1c(C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N)cnn1C 1056974962 LPIXCZYPCLKYRE-JTQLQIEISA-N 307.354 -0.561 30 20 DBED Cn1cc(C(=O)N2CCCN(c3nccnc3C#N)CC2)nn1 1057135788 FYJRZOTULPCDJM-UHFFFAOYSA-N 312.337 -0.171 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)Cc1ccn(C)n1 1057170806 BTQBLHKZANQBSP-UHFFFAOYSA-N 308.382 -0.134 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)[C@H](C)NC(=O)CC 1057174114 RCUAYOBVCVXKMX-LBPRGKRZSA-N 313.398 -0.196 30 20 DBED N#Cc1ccc(NC2CCN(C(=O)[C@@H]3COC(=O)N3)CC2)nn1 1057320569 LLOVHQPYQGJGNI-NSHDSACASA-N 316.321 -0.140 30 20 DBED C#CCO[C@H](C)C(=O)N(CCO)CCNC(=O)C1=CCOCC1 1057583777 ZHERLRDVGXDSSC-CYBMUJFWSA-N 324.377 -0.692 30 20 DBED N#Cc1ccc(N2CCC[C@H](NC(=O)Cn3ncnn3)C2)nn1 1058196893 IVOCYUAAILHVPE-NSHDSACASA-N 313.325 -0.880 30 20 DBED C[C@]1(C(=O)N[C@H]2C[C@@H](Nc3cncc(C#N)n3)C2)CNC(=O)C1 1059773621 SDGSODSEPFFSFP-HFBDOXOYSA-N 314.349 -0.066 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)CCn1cccn1 1061313942 PRRMGGNGPZYPIM-OLZOCXBDSA-N 319.365 -0.224 30 20 DBED C=C(C)CCC(=O)N1CCOC[C@@H]1CNC(=O)[C@H]1CCC(=O)N1 1061420301 XMXBYUFLNZVDOE-QWHCGFSZSA-N 323.393 -0.035 30 20 DBED C=CCO[C@@H](C)C(=O)NC[C@H]1COCCN1C(=O)c1ncc[nH]1 1061668878 WORILBODLPHRSR-RYUDHWBXSA-N 322.365 -0.042 30 20 DBED C=CCOCC(=O)NC1(CNC(=O)c2cnnn2C)CCC1 1062897253 ZETNBEFNUUIPFS-UHFFFAOYSA-N 307.354 -0.214 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(NC(=O)Cn2nccn2)CCC1 1063043395 PBQWEHPGFBKLJZ-GFCCVEGCSA-N 319.365 -0.529 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)[C@@H]2CCCNC2=O)CCC1 1063372710 HGUABJPUVYFZRS-GHMZBOCLSA-N 306.366 -0.173 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)[C@H]2CCC(=O)NC2)CCC1 1063574773 GJHNSZNDNJUDDH-MNOVXSKESA-N 306.366 -0.173 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CN(C(=O)CNC(=O)C2CC2)CCO1 1064903392 CKJUMTAHZIFICE-JQWIXIFHSA-N 322.365 -0.984 30 20 DBED C=CCCC(=O)N1CCO[C@@H](CNC(=O)[C@]2(C)CCC(=O)N2)C1 1064957341 HQPBRNVXOUVWFH-LRDDRELGSA-N 323.393 -0.035 30 20 DBED C[C@]1(NC(=O)[C@H]2CNC(=O)N2)CCN(c2ccncc2C#N)C1 1065326286 NIBGAXZQLQJJCR-ABAIWWIYSA-N 314.349 -0.280 30 20 DBED Cc1ccn(CC(=O)NC[C@H]2CN(C(=O)[C@H](C)C#N)CCO2)n1 1065557718 UOFQDBUSGCLCLB-YPMHNXCESA-N 319.365 -0.305 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CCCN(C(=O)[C@H]2CNC(=O)N2)CC1 1066152861 LDNJZIYKVVZANI-CHWSQXEVSA-N 318.377 -0.422 30 20 DBED N#Cc1ccc(N2CC[C@]3(CCCN(C(=O)C(N)=O)C3)C2)nn1 1066870416 YGZMWKAROFHOPG-OAHLLOKOSA-N 314.349 -0.348 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H]2CN(c3ncccn3)C[C@H]2O)c1 1067660826 MAXWORSFRKUVKF-WCQYABFASA-N 312.333 -0.097 30 20 DBED CC#CCCCC(=O)NC[C@H]1CCC2(CN(C(=O)C(N)=O)C2)O1 1068608587 IZIUWSDEQLTFMA-GFCCVEGCSA-N 321.377 -0.459 30 20 DBED CN(C(=O)[C@H]1C[C@H]1C(N)=O)C1CC(Nc2cnc(C#N)cn2)C1 1069794256 MIXWLXYENWSZHB-PPUYLDTBSA-N 314.349 -0.129 30 20 DBED N#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2ccncc2F)C1 1069905180 IVHXXVRVQWWTAU-OLZOCXBDSA-N 315.312 -0.009 30 20 DBED C#CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2cnn(C)n2)C1 1070052991 XDURCIGZUGUZQC-OLZOCXBDSA-N 314.353 -0.915 30 20 DBED N#CCN1CCN([C@H]2CCCN(C(=O)c3cn[nH]c3)C2)C(=O)C1 1071254277 YLNPPSHTKCJZEP-ZDUSSCGKSA-N 316.365 -0.318 30 20 DBED C#CCN1C[C@@H](NC(=O)CN2CCCS2(=O)=O)CC[C@@H]1C 1071549818 UKSMICMMOJTKJC-STQMWFEESA-N 313.423 -0.376 30 20 DBED C=CCN1C[C@H](NC(=O)CN2CCN(C)C(=O)C2)CC[C@@H]1C 1071621937 DSVANJWAYPQFLP-UONOGXRCSA-N 308.426 -0.085 30 20 DBED N#CCN1CCC2(C1)CN(C(=O)[C@H]1CCc3nnc(O)n3C1)C2 1072867512 GMSUPVRTPXDFTO-NSHDSACASA-N 316.365 -0.396 30 20 DBED CCO[C@H](C)C(=O)N1CCN(C2CN(C(=O)[C@@H](C)C#N)C2)CC1 1073540781 YSMMTCGAQZWKID-QWHCGFSZSA-N 322.409 -0.074 30 20 DBED CCN1C[C@H](C(=O)NC[C@H]2CN(CC#N)CCCO2)CC1=O 1073629970 JWEPHZXVKSHNAL-OLZOCXBDSA-N 308.382 -0.415 30 20 DBED N#CCN1CCO[C@@H]2CCN(C(=O)c3cc(C(N)=O)c[nH]3)C[C@H]21 1074369306 UGFDTCRBWNGQEW-CHWSQXEVSA-N 317.349 -0.448 30 20 DBED C=CCN1CCO[C@@H]2CCN(C(=O)Cn3c(O)nnc3O)C[C@H]21 1074393095 VJCKZISEDMMLAD-GHMZBOCLSA-N 323.353 -0.823 30 20 DBED C=CCOCC(=O)NCC1(O)CCN(C(=O)c2nc[nH]n2)CC1 1074670198 WCPOURONHQIFIC-UHFFFAOYSA-N 323.353 -0.909 30 20 DBED C=CCN1CC[C@@H](N2C[C@@H](O)[C@H](NC(=O)c3ccoc3)C2)C1=O 1076743161 TXMMRYSLEPTWGT-MGPQQGTHSA-N 319.361 -0.159 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN(Cc3nncn3C)C[C@H]2O)C1 1077642238 ZTRABUQFTYMQFV-VXGBXAGGSA-N 305.382 -0.167 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2cc(C)nc3cc(C)nn23)C1 1078198149 ZKDQXJNMEAIZGZ-TZMCWYRMSA-N 313.361 -0.246 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)[C@H](C)C1 1079691168 QEDIFFJWNKOJHE-MBNYWOFBSA-N 315.377 -0.168 30 20 DBED C=CCCN1C[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)[C@H](C)C1 1080547813 WINJWCRIBAZJNI-DGCLKSJQSA-N 320.393 -0.290 30 20 DBED CCN(CC)CC(=O)NC[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 1081505699 JHYLOYUXGGQMBB-CABCVRRESA-N 321.421 -0.323 30 20 DBED CNC(=O)NCC(=O)NC[C@@H]1CCCCN1C(=O)C#CC1CC1 1082065614 FDXIGZJIRGHOAV-ZDUSSCGKSA-N 320.393 -0.174 30 20 DBED C[C@@H](C#N)C(=O)N1CCCC[C@H]1CNC(=O)CS(C)(=O)=O 1082267012 FNPQYWJXSQPNJZ-QWRGUYRKSA-N 315.395 -0.312 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)Cc1cnn(C)c1 1083022478 JOAWEOWZBNZWKQ-LSDHHAIUSA-N 302.378 -0.103 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)[C@]2(C)CCC(=O)N2)C1 1083755825 OARFFBZJRPCSLZ-NRUUGDAUSA-N 301.774 -0.431 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)c2cnn3ccc(C)nc23)C1 1083963313 RJJWVSRCGHQUKM-OLZOCXBDSA-N 301.350 -0.001 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCc3nncn3C2)C1 1084085913 JNUZDTJDGPWQRB-UPJWGTAASA-N 305.382 -0.422 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)[C@@H]3COCCN3C(C)=O)[C@@H]2C1 1084841548 AMLQAWUUNRIKFR-KFWWJZLASA-N 305.378 -0.600 30 20 DBED C#CCCN1CC[C@H]1CN(C)C(=O)c1cc(=O)n2[nH]cnc2n1 1085924338 TWPFOLJGHRZCLC-NSHDSACASA-N 314.349 -0.413 30 20 DBED C#CCN[C@H]1CCCCCN(C(=O)Cn2ncn(C)c2=O)C1 1088338694 MDLZWDVMXYEUKL-ZDUSSCGKSA-N 305.382 -0.424 30 20 DBED C[C@@H](C[C@@H](C)N=c1cc[nH]c(C#N)n1)NC(=O)C(C)(C)C(N)=O 1089414302 ZXAIMEQRKMKAJF-ZJUUUORDSA-N 318.381 -0.023 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2cccn3nnnc23)[C@@H](O)C1 1090295535 ONPMIFKMWFTDID-OLZOCXBDSA-N 314.349 -0.687 30 20 DBED N#CCN1CC[C@H](NC(=O)c2ccnc3ccnn23)[C@@H](O)C1 1090324084 UXTINXFKGBQFHL-JQWIXIFHSA-N 300.322 -0.582 30 20 DBED CCN(CC)CC(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1O 1090429775 JYAONMFLXWTAIW-ZIAGYGMSSA-N 317.393 -0.039 30 20 DBED C=CCCn1cc(C(=O)N[C@H]2CCN(CCO)C[C@@H]2O)nn1 1090637919 MTFOYUXRMCWJDH-AAEUAGOBSA-N 309.370 -0.989 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)c3nccnc3N)c3nccn32)C1 1092357400 SWFWGSROVMTQDF-LLVKDONJSA-N 323.360 -0.226 30 20 DBED C#CCN1CC(OC2CCN(C(=O)c3cc(=O)n(C)o3)CC2)C1 1093530470 BQPWFNSYDJCJQC-UHFFFAOYSA-N 319.361 -0.083 30 20 DBED C#CCN1CCN(C(=O)[C@H]2CCCO2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094603873 SDWIVYKOVTZKFA-YNEHKIRRSA-N 312.391 -0.892 30 20 DBED CC#CCN1CC(N2C[C@H](NC(=O)Cc3ccon3)CC2=O)C1 1094714728 BDURRKZOMCWJKO-CYBMUJFWSA-N 316.361 -0.358 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)c3conc3CC)CC2=O)C1 1094784202 DAVNFJNBLVLKJU-NSHDSACASA-N 316.361 -0.115 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)c3ccc(OC)o3)CC2=O)C1 1094804652 YQGDTZXGXDMYGC-NSHDSACASA-N 317.345 -0.064 30 20 DBED CC(=O)N(C)CC(=O)N1CC[C@H](N(C)c2cnc(C#N)cn2)C1 1095108738 ISESNEMIFXINLH-ZDUSSCGKSA-N 316.365 -0.136 30 20 DBED C[C@H](NC(N)=O)C(=O)N1CCC[C@H](Nc2nccnc2C#N)C1 1095291182 VACKUOLGXSJHBH-UWVGGRQHSA-N 317.353 -0.192 30 20 DBED N#Cc1nccnc1N1CCC[C@H](CNC(=O)CC(N)=O)C1 1097289145 GTCVNBJNYJYMID-SNVBAGLBSA-N 302.338 -0.444 30 20 DBED N#Cc1ccc(NC2CCC(NC(=O)CNC(N)=O)CC2)nn1 1097611955 IHEPGIVGEVSXMR-UHFFFAOYSA-N 317.353 -0.144 30 20 DBED Cc1cc(=N[C@H](C)CNC(=O)[C@@H]2COCCN2C)c(C#N)c[nH]1 1097765787 YEVYTBMAMXYKBZ-DOMZBBRYSA-N 317.393 -0.069 30 20 DBED C[C@H](CNC(=O)CCn1cnnn1)Nc1cnc(C#N)cn1 1098009984 QBYCCXDDSWWOCX-SECBINFHSA-N 301.314 -0.658 30 20 DBED COCC(=O)N[C@H](C)C(=O)NC[C@H](C)Nc1cnc(C#N)cn1 1098341734 FSIBRCCIRJUPPL-VHSXEESVSA-N 320.353 -0.584 30 20 DBED C#CCNCc1cn([C@@H]2CCN(C(=O)c3cnn(C)c3)C2)nn1 1098608253 QYKKWJMWQGAMFQ-CQSZACIVSA-N 313.365 -0.178 30 20 DBED C=CCNCc1cn([C@@H]2CCN(C(=O)CNC(=O)NC)C2)nn1 1098680322 DKWHKQDLZZRNJR-GFCCVEGCSA-N 321.385 -0.744 30 20 DBED N#CCN[C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1C(F)(F)F 1099256479 LYFKIWJQZGLFNS-RKDXNWHRSA-N 302.260 -0.219 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(Cc2ccnn2C)C[C@@H]1O 1099740766 JFDZAVVZYANWKY-KBPBESRZSA-N 308.382 -0.326 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)C2CC=CC2)[C@H](O)C1 1099743424 JGYGFNMXKUYLEB-UONOGXRCSA-N 307.394 -0.194 30 20 DBED CCn1ccnc1C(=O)N[C@H]1CCN(CC#CCOC)C[C@H]1O 1099796922 LBKNDHXDAWJQLT-UONOGXRCSA-N 320.393 -0.282 30 20 DBED CC#CCCCC(=O)N[C@@H]1CCN(Cc2nc(O)n[nH]2)C[C@@H]1O 1099962558 QLHNMSILMKCOTP-NEPJUHHUSA-N 321.381 -0.245 30 20 DBED CN(CCNC(=O)CS(C)(=O)=O)c1ncc(C#N)cc1F 1099977018 QJGLWCDBRXMVRH-UHFFFAOYSA-N 314.342 -0.311 30 20 DBED C=CCN1CC[C@@H](NC2CC(CNC(=O)CC(N)=O)C2)C1=O 1100209476 CJTBAPYLVILRRA-HTAVTVPLSA-N 308.382 -0.867 30 20 DBED COCC#CCNC1CC(CNC(=O)CN2CCOCC2)C1 1100257911 UMNJRFSMPVJJQY-UHFFFAOYSA-N 309.410 -0.547 30 20 DBED CN1CC[C@H](C(=O)NCCN(C)c2ccncc2C#N)C1=O 1100273545 XWDUDOJCXJXVIR-GFCCVEGCSA-N 301.350 -0.016 30 20 DBED Cc1cc(=NCCN(C)C(=O)[C@@H]2CN(C)CCO2)c(C#N)c[nH]1 1101538380 VLFYIJDJRUZYJT-HNNXBMFYSA-N 317.393 -0.116 30 20 DBED C[C@@H](C(=O)N(C)CCNc1nccnc1C#N)S(C)(=O)=O 1102032294 AKHAIUOJESUYMO-VIFPVBQESA-N 311.367 -0.348 30 20 DBED CC[C@H](CNC(=O)[C@H](C)NC(N)=O)Nc1nccnc1C#N 1103046171 ORTJKYYTYANOSC-DTWKUNHWSA-N 305.342 -0.288 30 20 DBED C#CCNCc1cn(C2CN(C(=O)C[C@](C)(O)C=C)C2)nn1 1105227477 LYBFGHORPGWHIK-OAHLLOKOSA-N 303.366 -0.289 30 20 DBED Cc1cc(C#N)nc(N(C)CCN(C)C(=O)Cc2nc[nH]n2)n1 1105470265 NYXKVJVGHMMCEY-UHFFFAOYSA-N 314.353 -0.088 30 20 DBED N#Cc1cnc(NC[C@H](O)CNC(=O)[C@H]2COCCO2)c(F)c1 1105780452 RWJRCTOLECEBGC-CMPLNLGQSA-N 324.312 -0.603 30 20 DBED Cc1cc(C#N)nc(NC[C@H](O)CNC(=O)c2cnon2)n1 1105927578 BBICHGUMQCEPQG-SECBINFHSA-N 303.282 -0.758 30 20 DBED Cc1cc(=NC[C@@H](O)CNC(=O)c2ncccn2)c(C#N)c[nH]1 1105933692 BGYINIIMBVSEQC-GFCCVEGCSA-N 312.333 -0.324 30 20 DBED C=C(C)CCC(=O)NC[C@@H](O)CNc1nccn2nnnc12 1105986916 SWAINWMQOHYHLZ-SNVBAGLBSA-N 305.342 -0.235 30 20 DBED C[C@@H](CCNc1ccc(C#N)nn1)NC(=O)[C@H]1COC(=O)N1 1106313126 HUFDDDPGTAYLKP-WCBMZHEXSA-N 304.310 -0.237 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)C(=O)NCC2CC2)C[C@H]1C 1106811974 YTYRZAASSOZHGY-UKRRQHHQSA-N 321.421 -0.154 30 20 DBED CCN(CCNc1cncc(C#N)n1)C(=O)C1(C(N)=O)CC1 1106943259 ZXMQZRMXOKVWSS-UHFFFAOYSA-N 302.338 -0.126 30 20 DBED C=C(C)CN1CC(n2cc(CNC(=O)CC(=O)NCC)nn2)C1 1107162721 QDDRMJHCGVRAGD-UHFFFAOYSA-N 320.397 -0.147 30 20 DBED C#CCN1CC(n2cc(CNC(=O)[C@H](C(C)C)N(C)C)nn2)C1 1107180464 SWDKBPMEMRUEIZ-HNNXBMFYSA-N 318.425 -0.030 30 20 DBED N#Cc1cnc(NC/C=C\CNC(=O)[C@@H]2CC[C@H]2C(N)=O)cn1 1107452715 TYSAUJPOKJCFEN-JZIZGNRHSA-N 314.349 -0.056 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)[C@H]2CC(=O)N(CC)C2)C1 1107983483 METUQUNPGOQNMN-XJKSGUPXSA-N 307.394 -0.305 30 20 DBED C[C@@H](CNc1ccc(C#N)nc1)NC(=O)Cn1cnnc1O 1108315898 SMTLZYAHKBRNCN-VIFPVBQESA-N 301.310 -0.133 30 20 DBED C#CCCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCS(=O)(=O)NC 1109274446 KISYEDBYBSIEGG-AGIUHOORSA-N 313.423 -0.330 30 20 DBED CN(CCCNc1ccc(C#N)nc1)C(=O)[C@@H]1CNC(=O)N1 1109598524 DUNLCARGQPHROX-LBPRGKRZSA-N 302.338 -0.105 30 20 DBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cc1ccon1 1110412323 GNUDEDNKWMSEKV-UPJWGTAASA-N 317.349 -0.422 30 20 DBED C#CCCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN(C)C(=O)COC 1110623764 PHRPKHPKIIDJQZ-MCIONIFRSA-N 307.394 -0.164 30 20 DBED C[C@@]1(NC(=O)Cn2cnnn2)CCN(c2ccncc2C#N)C1 1110711221 UUUHXARLMBOMHA-CQSZACIVSA-N 312.337 -0.275 30 20 DBED CC(=O)N(C)CC(=O)N[C@@]1(C)CCN(c2cncc(C#N)n2)C1 1110722819 QPGCJGZEYKKCDY-HNNXBMFYSA-N 316.365 -0.088 30 20 DBED C[C@H](C#N)C(=O)N[C@@]1(C)CCN(c2ccc3nnnn3n2)C1 1110735497 FSHFLCCVCCRFPV-RNCFNFMXSA-N 300.326 -0.236 30 20 DBED C[C@@]1(NC(=O)Cn2nccn2)CCN(c2ccc(C#N)nn2)C1 1110790207 UEXFVIXEGSFQOT-CQSZACIVSA-N 312.337 -0.275 30 20 DBED CNC(=O)NCC(=O)N[C@]1(C)CCN(c2cncc(C#N)n2)C1 1110822716 RWRIYLXPPLSEAG-CQSZACIVSA-N 317.353 -0.638 30 20 DBED CC(C)(O)CC(=O)N[C@]12CCC[C@H]1CN(CC(=O)NCC#N)C2 1111730575 SIEBTWRCQVSAJR-LRDDRELGSA-N 322.409 -0.242 30 20 DBED CC(C)(O)CC(=O)NC[C@H]1CN(c2nccnc2C#N)C[C@@H]1O 1112717842 PNVLCAMEJYPCDR-JQWIXIFHSA-N 319.365 -0.577 30 20 DBED CS(=O)(=O)CC(=O)NC1CC(CN=c2cc[nH]cc2C#N)C1 1112819429 VLAYTBWTNDVWBP-UHFFFAOYSA-N 322.390 -0.274 30 20 DBED C=CCO[C@H](C)C(=O)N1CCN(CC(=O)NC(=O)NC)CC1 1113713002 JJGPYQMTIGEXKL-LLVKDONJSA-N 312.370 -0.823 30 20 DBED C=CCOCC(=O)N[C@H]1[C@@H]2CN(CCS(C)(=O)=O)C[C@@H]21 1114053961 JDDSLMZAFXSFLP-PJXYFTJBSA-N 302.396 -0.720 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3[nH]ccc3C)[C@H]2C1 1114200618 CCBQHNKXWKSORR-JYAVWHMHSA-N 300.362 -0.267 30 20 DBED C=CCCCN1C[C@@H]2C(NC(=O)CCS(=O)(=O)NC)[C@H]2C1 1114273426 MOTGNQJDIPADJO-RYUDHWBXSA-N 315.439 -0.062 30 20 DBED CCC[C@@H](C(=O)N[C@H]1[C@@H]2CN(CC#N)C[C@@H]21)S(N)(=O)=O 1114621353 IHMDOMRIRWFOFO-ZRUFSTJUSA-N 300.384 -0.986 30 20 DBED C=CCOCCN1C[C@@H]2C(NC(=O)CCc3cnn[nH]3)[C@H]2C1 1114865262 TXMVITYUTHMDFZ-STQMWFEESA-N 305.382 -0.014 30 20 DBED C[C@@H](CCCN=c1cc[nH]c(C#N)n1)NC(=O)CCNC(N)=O 1114946147 DBMJQIAYIIZCLA-JTQLQIEISA-N 319.369 -0.475 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)CN(C)CCC)[C@H]2C1 1115159175 FSVFFYIJJKTGJK-VIKVFOODSA-N 306.410 -0.876 30 20 DBED C=CCO[C@H](C)C(=O)NC1[C@@H]2CN(Cc3nnn(C)n3)C[C@@H]12 1115333306 WDVILKPKCBRCOZ-GMTAPVOTSA-N 306.370 -0.652 30 20 DBED CO[C@H](C)C(=O)NCCOCCCN=c1cc[nH]c(C#N)n1 1115385318 IIHNCBCJKRGYKA-LLVKDONJSA-N 307.354 -0.260 30 20 DBED C[C@@H](C#N)CN(C)C(=O)C(=O)c1cc(S(N)(=O)=O)cn1C 1118623562 BADGTKVZQXRASC-QMMMGPOBSA-N 312.351 -0.527 30 20 DBED N#Cc1nc(=N[C@@H](CO)CNC(=O)C2CCOCC2)cc[nH]1 1120986448 NJTDLPBVSSYJAB-LLVKDONJSA-N 305.338 -0.914 30 20 DBED CCc1n[nH]cc1C(=O)NC[C@H](CO)Nc1cncc(C#N)n1 1122834901 DYNCYUJMRGBQQX-SNVBAGLBSA-N 315.337 -0.163 30 20 DBED C=CCOCC(=O)N(C)C[C@@H](O)CN=c1cc[nH]c(C#N)n1 1124197262 WINDATLVEIOEFD-NSHDSACASA-N 305.338 -0.796 30 20 DBED CN(C[C@H](O)CNc1ccc(C#N)nc1)C(=O)c1cn(C)nn1 1124295661 IRAAQCWDWMQRNB-GFCCVEGCSA-N 315.337 -0.373 30 20 DBED C[C@H]1CN(C(=O)CNCCNC(=O)c2c[nH]c(C#N)c2)CCO1 1125994656 INGUVBBNZCGWAP-NSHDSACASA-N 319.365 -0.547 30 20 DBED C#CCOCCC(=O)NCCNC[C@@H](O)CO[C@@H](C)COC 1127032116 TXCAZYUFQYBOBS-UONOGXRCSA-N 316.398 -0.856 30 20 DBED N#Cc1cccnc1N1CC=C(CNC(=O)CNC(N)=O)CC1 1127546751 ICVQUFRSDGPOOZ-UHFFFAOYSA-N 314.349 -0.126 30 20 DBED C=CCNCc1ccncc1O[C@H]1CCN(C(=O)C(N)=O)C1 1127892804 LIGYAYBYDJPVNO-LBPRGKRZSA-N 304.350 -0.178 30 20 DBED COCCNCc1nnc2n1CC[C@H](NC(=O)[C@@H](C)C#N)CC2 1127964488 LSXZETYAHFICEO-NWDGAFQWSA-N 320.397 -0.005 30 20 DBED C=CCNC(=O)CN1C[C@H](n2ccnn2)[C@H](NC(=O)C2CC2)C1 1128617876 RUTJFBQULPNPDL-OLZOCXBDSA-N 318.381 -0.668 30 20 DBED CCCC(=O)NCC(=O)N1C[C@@H]2C[C@@H]3CN(CC#N)C[C@]2(C1)O3 1131200287 IEYBMSXAJFPSTR-WOSRLPQWSA-N 320.393 -0.272 30 20 DBED C[C@@H]1CC[C@@H](NC(=O)CCc2nnc(O)nc2O)CN1CC#N 1132149188 HAUFKKAKTPCSMJ-NXEZZACHSA-N 320.353 -0.292 30 20 DBED C=CCOCCNC[C@H]1CN(C(=O)Cn2ncnn2)CC[C@@H]1C 1132825041 WZEYJJYZPZCNKD-KBPBESRZSA-N 322.413 -0.050 30 20 DBED C#CCNC(=O)CNCCNC(=O)Cc1ccc(F)c(F)c1 1133042912 PEERBPIYPJXLSW-UHFFFAOYSA-N 309.316 -0.038 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1ccnc(OCC)c1 1133601287 XKCLYIKXWWOPCD-UHFFFAOYSA-N 304.350 -0.451 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)c1coc(COC)n1 1136036762 VRKZNZICYKENHL-SNVBAGLBSA-N 310.354 -0.169 30 20 DBED CC(C)C#CC(=O)N1CC2(CCN([C@@H]3CCC(=O)NC3=O)C2)C1 1147514360 JDBSLNZBJLRANQ-CYBMUJFWSA-N 317.389 -0.015 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)C1(C(=O)NC)CCC1 1148628680 IKSOFARTUUVTLX-NSHDSACASA-N 310.398 -0.701 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)[C@@H](NC(N)=O)C(C)(C)C)C1 1150607510 UWLFDDZYLNVOSP-QWHCGFSZSA-N 324.425 -0.090 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)CCn1cncn1 1151900607 AKEQXWLGRCSVPH-GFCCVEGCSA-N 321.385 -0.865 30 20 DBED C=CCOCC(=O)NC[C@@H](C)N(CC)CC(=O)NC(=O)NC 1152370388 DIIQJMQYAZSCSC-LLVKDONJSA-N 314.386 -0.529 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)C2=COCCO2)C1=O 1154366191 RYUIVKJSBZAUIC-GFCCVEGCSA-N 309.366 -0.243 30 20 DBED C#CCNC(=O)CC(=O)N1CCCC[C@@H]1CN(C)[C@H](C)C(N)=O 1157834773 ASGXDVMHQHCPSP-CHWSQXEVSA-N 322.409 -0.687 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCCN[C@H](C)C(=O)N(C)C 1160209572 QYVXDPGVJFXQQL-KGLIPLIRSA-N 308.426 -0.343 30 20 DBED C#CCNCC1(CCNC(=O)c2nccnc2C(N)=O)CC1 1168042408 DBRJSNCNKWXBHE-UHFFFAOYSA-N 301.350 -0.302 30 20 DBED CS(=O)(=O)CCC(=O)N1CC[C@H]2OCCN(CC#N)[C@@H]2C1 1177043768 ZUXTYXCPCZYPIC-VXGBXAGGSA-N 315.395 -0.754 30 20 DBED CC(=O)NCC(C)(C)C(=O)N1CC[C@H]2OCCN(CC#N)[C@@H]2C1 1177107287 PPRXWCVMWMEQPQ-ZIAGYGMSSA-N 322.409 -0.026 30 20 DBED C#CCNC(=O)CNCCCCCCNC(=O)[C@@H](C)CC(N)=O 1179226491 WBLXNBBMZFAYIN-ZDUSSCGKSA-N 324.425 -0.487 30 20 DBED CC#CCN[C@H]1CCN(C(=O)[C@H](C)NS(C)(=O)=O)[C@H]1C 1179613587 YOZOLIYYVDNQGF-SRVKXCTJSA-N 301.412 -0.474 30 20 DBED COCC#CCNC[C@]1(C)CN(C(=O)CNC(C)=O)C[C@H]1C 1180436802 ISOFNXWPVUAIQF-CZUORRHYSA-N 309.410 -0.154 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)Cc2cccnc2)C1 1182032044 APUDONBRBRWROH-DZGCQCFKSA-N 314.389 -0.048 30 20 DBED CNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 1182051277 PZKVFZMBDKSKJJ-SNVBAGLBSA-N 318.337 -0.854 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2ncc(F)cc2F)C1 1183657609 SBWOYVJCNCTXJH-LLVKDONJSA-N 322.315 -0.087 30 20 DBED C#CCNC(=O)CNC[C@@H]1CCN(C(=O)c2ncc[nH]2)C[C@H]1C 1184310105 ACWFUFPNCYNHOW-OLZOCXBDSA-N 317.393 -0.153 30 20 DBED C#CCNC[C@H]1CCN(C(=O)CN2C(=O)CCC2=O)C[C@H]1C 1185642945 WDNVFLCNYALUCP-CHWSQXEVSA-N 305.378 -0.157 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2ccncn2)C1 1186466192 SWHSITPTACUROA-NWDGAFQWSA-N 301.350 -0.581 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)c2cnn(C)c2OC)C1 1187435710 OUXCAVXBPRYFJO-LLVKDONJSA-N 321.381 -0.465 30 20 DBED Cc1cnn(CCC(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)c1 1188106613 ORMIXXMFYDIOET-CYBMUJFWSA-N 318.381 -0.588 30 20 DBED N#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC=CCC2)C1 1190969369 OSFGCWUETWGKPH-JHJVBQTASA-N 306.366 -0.856 30 20 DBED Cn1ccc(CN2C[C@@H](O)[C@H](NC(=O)CSCC#N)C2)n1 1191162301 POFMLXCIPRWPKM-VXGBXAGGSA-N 309.395 -0.662 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2[nH]nnc2C)C1 1191667122 RKFXZLIAFOZUQL-NSHDSACASA-N 304.354 -0.991 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2csc(O)n2)C1 1191848309 HBLMXMHTFLQLOB-JTQLQIEISA-N 322.390 -0.256 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CN(Cc2ccc(C(N)=O)cc2)C[C@H]1O 1191853125 BDUKFAVNLJCHOT-LERXQTSPSA-N 316.361 -0.394 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)COc2c(C)nn(C)c2C)C1 1193024397 POQCVWVWUSNMNH-CHWSQXEVSA-N 308.382 -0.237 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)c2onc(C)c2C)C1 1193997595 NBCVOQIFULKVPV-CHWSQXEVSA-N 307.350 -0.284 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)C(=O)Nc2ccccc2)C1 1194430493 JUHBVRWLAJURGF-ZIAGYGMSSA-N 301.346 -0.190 30 20 DBED Cc1nonc1C(=O)N1CC[C@H](N(C)CC(=O)NCC#N)C1 1194471771 ORHYNISSXHXNOH-JTQLQIEISA-N 306.326 -0.836 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C2CC3(CC3)C2)C1 1196083137 MNORJLAHICLGMP-CHWSQXEVSA-N 305.378 -0.913 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)CN2CCC(C)CC2)C1 1197154221 DZFJKACFWFFDHH-HZPDHXFCSA-N 323.437 -0.471 30 20 DBED N#CCNC[C@@H]1CN(C(=O)COC[C@@H]2CCCO2)CCCO1 1202243390 KWKCKYYHVMAHCR-UONOGXRCSA-N 311.382 -0.087 30 20 DBED C=CCNC(=O)CNCC1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1 1206292876 OJLPMKZKULJORJ-OLZOCXBDSA-N 322.409 -0.762 30 20 DBED CC(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC(CNCC#N)CC1 1206607836 DIHWUMHCDLKHMW-ZDUSSCGKSA-N 323.397 -0.892 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)[C@H]2CCC(=O)N2)C1 1207676479 WVNWRNBPWYKLLH-NWDGAFQWSA-N 308.382 -0.852 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)[C@H](CC)NC(C)=O)C1 1209745776 VDTLLVJNTGUQTE-KBPBESRZSA-N 324.425 -0.216 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)c2ccn(C)n2)C1 1211082922 ZWYALTDWWWQYKN-CHWSQXEVSA-N 317.393 -0.248 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)c2ccsn2)[C@H](OC)C1 1212446189 KBYSCZMXDVRIJM-VXGBXAGGSA-N 324.406 -0.126 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)[C@H]2OCCO[C@H]2C)C[C@H]1C 1214884716 NVXUZWRTWKOPNC-BARDWOONSA-N 310.394 -0.123 30 20 DBED COc1ncc(CN2C[C@H](O)[C@H](NC(=O)[C@@H](C)C#N)C2)c(C)n1 1219379080 NCLVSQWWMIDCEQ-BIMULSAOSA-N 319.365 -0.385 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2ccc(OCCOC)nc2)C1 1219755853 PGUCSZNRNBOBIN-KGLIPLIRSA-N 319.361 -0.485 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)C2(CN(C)C)CC2)C1 1220230644 LTCJNEJQJUPYMN-KGLIPLIRSA-N 309.410 -0.861 30 20 DBED CC1(C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@@H]2O)CCCCC1 1220264170 CQMUELBUJKHVIA-OLZOCXBDSA-N 322.409 -0.242 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1NCc1nnn(C)n1 1226187502 LAJULQNPXVWCQZ-YNEHKIRRSA-N 320.397 -0.235 30 20 DBED C=CCCC(=O)NCC[C@H]1CN(CCCO)CCS1(=O)=O 1230436684 QRSDAQGZRFOOTQ-ZDUSSCGKSA-N 318.439 -0.060 30 20 DBED C=CCNC(=O)CN(C)CCCNC(=O)CN1CCCC1=O 1233784285 NUSWYJGDPVTJNK-UHFFFAOYSA-N 310.398 -0.651 30 20 DBED C=CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)c1cncnc1O 1235652589 LBMOYCHDKLTDOI-LLVKDONJSA-N 319.365 -0.369 30 20 DBED C[C@H]1COCCCN1C(=O)C(=O)NC1CCN(CC#N)CC1 1258227841 JYLLWRLKWIGTNH-LBPRGKRZSA-N 308.382 -0.272 30 20 DBED C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)CCN1 1262069784 KOIBMWRLNJZDKC-MBNYWOFBSA-N 319.409 -0.558 30 20 DBED CN(C[C@H]1CCCN(CC(=O)NCC#N)C1)S(C)(=O)=O 1321893655 VDXHIJLBKQETIK-LLVKDONJSA-N 302.400 -0.770 30 20 DBED C[C@@H](CS(C)(=O)=O)N(C)C(=O)C(=O)Nc1ccc(C#N)cn1 1324234618 SYJKKRWGKWEGRF-VIFPVBQESA-N 324.362 -0.217 30 20 DBED C#CCSCCNC(=O)C(=O)NCCN(C)C(=O)OC 1328022904 SJJIMARFVJONJP-UHFFFAOYSA-N 301.368 -0.717 30 20 DBED C=CCN(C)c1nnnn1CCCN(CC)S(C)(=O)=O 1332049632 NWAXJMQFOMAVEI-UHFFFAOYSA-N 302.404 -0.033 30 20 DBED N#C[C@@H]1CCCN(C(=O)C(=O)NCCOC[C@@H]2CCOC2)C1 1333138205 MAGHHMJDNAESEA-QWHCGFSZSA-N 309.366 -0.082 30 20 DBED C=CCCOCCn1nnnc1N1CCN(C(=O)COC)CC1 1335527619 AHWZWJQPIXKVLN-UHFFFAOYSA-N 324.385 -0.439 30 20 DBED CCN(C(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1)[C@H]1CCNC1 1337601459 IAEZHPVDOVUBSX-UONOGXRCSA-N 319.409 -0.604 30 20 DBED C=CCn1c(N(C)CC(=O)N2CCOCC2)nnc1C(C)(C)O 1340548057 UTUHGPKRJGYVOL-UHFFFAOYSA-N 323.397 -0.014 30 20 DBED CCC(=O)N[C@H](CCSC)C(=O)NCC(=O)NCC#N 1341883930 YCHQTALHDYOLQR-SECBINFHSA-N 300.384 -0.610 30 20 DBED C=CCn1c(Cc2cnn(C)c2)nnc1N1CCNC(=O)C1 1342240909 HYLXXHDATGDBLV-UHFFFAOYSA-N 301.354 -0.275 30 20 DBED C#CCNC(=O)[C@@H](C)OC(=O)[C@@H]1CC12CCS(=O)(=O)CC2 1343982232 SBOGYXMIMDTSST-MNOVXSKESA-N 313.375 -0.118 30 20 DBED C=CCn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](C(N)=O)C1 1355929688 OEQJQYYRWYTYPU-GHMZBOCLSA-N 307.354 -0.342 30 20 DBED C[C@H](C(=O)N1CCC2(CC1)CNC(=O)O2)n1cnc(C#N)n1 1361986093 COQMLOIHFLDJED-SECBINFHSA-N 304.310 -0.188 30 20 DBED N#Cc1ncn(CC(=O)NC2CCN(C(=O)C3CC3)CC2)n1 1362051567 YBXBSJGDVKTJNQ-UHFFFAOYSA-N 302.338 -0.333 30 20 DBED N#Cc1ncn(CCNC(=O)N2CCc3nnc(O)cc3C2)n1 1364272483 LDYRALMTNXXOSF-UHFFFAOYSA-N 314.309 -0.587 30 20 DBED C[C@H](C#N)C(=O)N1CCN(CC(=O)Nc2cnccn2)CC1 1364939977 KFHXRNUTSVSIPG-LLVKDONJSA-N 302.338 -0.281 30 20 DBED N#Cc1ncn(CCNC(=O)N[C@H]2C[C@H]3CCCCN3C2=O)n1 1365385705 XBCBOMTYHAZOME-MNOVXSKESA-N 317.353 -0.398 30 20 DBED COCCC(C)(C)C(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1O 1384034008 XPMIPVMQYYIKEF-QJPTWQEYSA-N 311.382 -0.103 30 20 DBED C[C@@H](C#N)C(=O)NC1CN(C(=O)[C@@H](C)NC(=O)c2ccoc2)C1 1387805855 HXWMPPKWSVYGGZ-VHSXEESVSA-N 318.333 -0.115 30 20 DBED COCCC(=O)N(C)CCN1CCN(C(=O)[C@@H](C)C#N)CC1 1388783118 HGQLLOQZWRYUEN-ZDUSSCGKSA-N 310.398 -0.215 30 20 DBED CNC(=O)NC(=O)CN1CCCC2(C1)CN(C(=O)[C@@H](C)C#N)C2 1394341678 DMPTZANCSMDNFS-NSHDSACASA-N 321.381 -0.474 30 20 DBED Cc1nc(CC(=O)NCCN(C(=O)[C@H](C)C#N)C2CC2)n[nH]1 1398339561 YZFWFGNEQNFSEJ-SECBINFHSA-N 304.354 -0.078 30 20 DBED COC[C@H](O)CN1CC[C@](O)(CNC(=O)c2cc(C#N)c[nH]2)C1 1402278323 VVOHZMHPMZEMCN-DOMZBBRYSA-N 322.365 -0.940 30 20 DBED COC[C@H](OC)C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N 1411902949 XUQQGEFGURZIHY-JTQLQIEISA-N 309.326 -0.282 30 20 DBED C[C@H]1OCC[C@]12CN(c1[nH]c(=O)n(C)c(=O)c1C#N)CCO2 1413892738 KRMAGAAPFVNSGH-OTYXRUKQSA-N 306.322 -0.671 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N[C@H](CCO)C(F)(F)F)CCO1 1414342076 BHAWYHHPSDDRRF-HTQZYQBOSA-N 317.289 -0.642 30 20 DBED C[C@@H](C#N)C(=O)N(C)C[C@@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1 1415940468 UQGVVYZDUZNGDS-QWRGUYRKSA-N 317.349 -0.150 30 20 DBED N#Cc1cc(=O)n(CC(=O)N2CCC3(CC2)OCCO3)cn1 1421410236 OCYKCMUFMXGWSL-UHFFFAOYSA-N 304.306 -0.520 30 20 DBED C[C@@H](C#N)C(=O)NCCN1CCN(C(=O)CC2(O)CCC2)CC1 1427704039 QIPSXENSOVSZQL-ZDUSSCGKSA-N 322.409 -0.288 30 20 DBED CN(CCNC(=O)[C@H]1COCCO1)C(=O)c1cc(C#N)c[nH]1 1429179613 XRFPQUJVNYAYGI-GFCCVEGCSA-N 306.322 -0.510 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@@H](O)CNC(=O)[C@]2(F)CCOC2)c1 1452329022 KOLWGVFONIOPBW-YGRLFVJLSA-N 324.312 -0.778 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CCN(C(=O)CN2CCOCC2=O)C1 1453666116 QZSDSJASAATSRK-NEPJUHHUSA-N 322.365 -0.936 30 20 DBED N#Cc1cn(CCNC(=O)N=c2cc[nH]cc2F)c(=O)nc1O 1465948691 KWTYUPULSKZJMP-UHFFFAOYSA-N 318.268 -0.402 30 20 DBED COCCN(CCNC(=O)c1cnc(O)n1C)C(=O)[C@@H](C)C#N 1488541468 ZUXYERXAZQDKLF-JTQLQIEISA-N 323.353 -0.510 30 20 DBED COCCN(CCNC(=O)[C@@H](C)C#N)C(=O)c1cncnc1 1488543442 WXTGLWGEGMRQJJ-NSHDSACASA-N 305.338 -0.159 30 20 DBED N#CCNC[C@H]1CCCN1C(=O)CCc1nnc(O)nc1O 1495568427 LYOCBBRNMGJLRX-SECBINFHSA-N 306.326 -0.680 30 20 DBED C[C@](O)(CNS(=O)(=O)Cc1csc(C#N)c1)C(=O)O 1573582981 QFLXKGWOSMIENG-JTQLQIEISA-N 304.349 -0.125 30 20 DBED N#CCSCC(=O)N1CCCO[C@@H](CNCc2cnn[nH]2)C1 1577710208 SAYYUPCDKHJNDW-LBPRGKRZSA-N 324.410 -0.231 30 20 DBED C[C@@H](C#N)C(=O)NCCCNc1ccc(-c2nn[nH]n2)nn1 1588929316 XYEDDPHFCZUNAF-QMMMGPOBSA-N 301.314 -0.265 30 20 DBED C[C@H]1CN(CCn2c(N)nc(-c3nn[nH]n3)c2C#N)CCO1 1590307012 CYSUQXZIIWZPFY-QMMMGPOBSA-N 303.330 -0.762 30 20 DBED N#CCC1CCN(C(=O)Cn2cnc(-c3nn[nH]n3)n2)CC1 1592673856 QTCBBXOLUIFNPF-UHFFFAOYSA-N 301.314 -0.390 30 20 DBED O=C(O)CN1CCC[C@@H](C(=O)NCC#C[C@H]2CCCCO2)C1=O 1606250138 JKYKYBXJOPVHNV-OLZOCXBDSA-N 322.361 -0.002 30 20 DBED C[C@@]1(CC(=O)N2CCC[C@@H]2CNCC#N)CCS(=O)(=O)N1 1671373672 QUEWVIWGHLDULF-YPMHNXCESA-N 314.411 -0.438 30 20 DBED COCC#CCN(C)CCCNC(=O)[C@]1(C)CCC(=O)NC1 1752044799 HAMJNZFONYGPAA-MRXNPFEDSA-N 309.410 -0.009 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CCCN1CCn1cncn1 1753102093 DBSBYRLGEFWPMY-AWEZNQCLSA-N 305.382 -0.101 30 20 DBED C#CCCNC[C@H]1CCC[C@H]1NC(=O)CCCS(N)(=O)=O 1753896025 RZKIEKPYBWANMJ-CHWSQXEVSA-N 315.439 -0.047 30 20 DBED CCN(CCNCC(=O)NCC#N)C(=O)c1cccn(C)c1=O 1754076610 LXXSPRPEFFATPO-UHFFFAOYSA-N 319.365 -0.923 30 20 DBED COCC#CCNC[C@H](C)NC(=O)CS(=O)(=O)CC(C)C 1754272952 YPUYSCBTCMFPMS-ZDUSSCGKSA-N 318.439 -0.199 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C1CN(Cc2ncnn2CC)C1 1754575606 XMQLOGMWZURYDW-GFCCVEGCSA-N 305.382 -0.021 30 20 DBED CNC(=O)NCC(=O)N1CCC[C@H]2[C@@H]1CCN2CC#CCOC 1754864272 ARXFDVZSCSDLNL-KBPBESRZSA-N 322.409 -0.370 30 20 DBED C#CCNC(=O)CN(C)CCCN(C)C(=O)[C@@]1(F)CCOC1 1755042423 NMRBMUHBURIARI-OAHLLOKOSA-N 313.373 -0.355 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)Cc2cc[nH]n2)C[C@H]1C 1755168963 IZRVJDMFERZHIG-OLZOCXBDSA-N 317.393 -0.329 30 20 DBED C#CCCN(C)C[C@H]1CCCN1C(=O)CCNS(C)(=O)=O 1755195540 SADHGKBVRCJWMF-CYBMUJFWSA-N 315.439 -0.128 30 20 DBED C#CCNC(=O)CNCC1CC(NC(=O)c2cn(C)cn2)C1 1755208428 PPMOWWKGIPNZJA-UHFFFAOYSA-N 303.366 -0.733 30 20 DBED C#CCCN1CC([C@@H](C)NC(=O)[C@H](C)N2C(=O)CCC2=O)C1 1755379812 SNLQKWOGUHQHGK-NEPJUHHUSA-N 305.378 -0.016 30 20 DBED CCOc1cc(C(=O)NC[C@H](CO)NCC#CCOC)on1 1755633165 ORBCWYZVLVETAC-LLVKDONJSA-N 311.338 -0.597 30 20 DBED CCn1nccc1C(=O)N(C)C1CC(NCC(=O)NCC#N)C1 1755856367 WBFYENAUWHEBHI-UHFFFAOYSA-N 318.381 -0.265 30 20 DBED N#CCNC(=O)CN1CC=C(CNC(=O)c2cnccn2)CC1 1755879542 PICNXVWZOSIHEB-UHFFFAOYSA-N 314.349 -0.522 30 20 DBED C=CCCC(=O)N[C@@H](C)C1CN(C(=O)C[C@@H]2CC(=O)NC2=O)C1 1756131066 ZKLSKBRJMAVRBZ-QWRGUYRKSA-N 321.377 -0.032 30 20 DBED C=CCOCC(=O)N1CC([C@H](C)NC(=O)CC(=O)NCC)C1 1756136391 HZIYHZURPZYPAQ-NSHDSACASA-N 311.382 -0.322 30 20 DBED CC(C)C#CC(=O)NC[C@@H](CO)NC(=O)Cc1cccnc1 1756517956 RDHNMFFHPNNOCH-AWEZNQCLSA-N 303.362 -0.123 30 20 DBED CC(C)C#CC(=O)N[C@@H](CO)CNC(=O)CCCn1cncn1 1756573040 ZWVSHTVOYMNXRD-CYBMUJFWSA-N 321.381 -0.689 30 20 DBED C#CCCCCC(=O)NC1CC(N(C)C(=O)Cn2cnnn2)C1 1756734103 OCEGWMBUZCVQHT-UHFFFAOYSA-N 318.381 -0.028 30 20 DBED C=C(C)C[C@H](C)C(=O)N1C[C@H](O)[C@H](NC(=O)c2ncn(C)n2)C1 1757170112 JITGRCHVOYXMCQ-TUAOUCFPSA-N 321.381 -0.281 30 20 DBED N#CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCOC3)C[C@@H]21 1786369473 DHRSUBLAINOHNE-CRWXNKLISA-N 321.377 -0.084 30 20 DBED CCOCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC(=O)O 1801986966 PNHYRULLMRRAHW-ZSBIGDGJSA-N 308.334 -0.251 30 20 DBED C#CCCCCC(=O)N1CC2(CCCN2C(=O)CNC(=N)N)C1 1842884827 VZRZKOYGMUIDRI-UHFFFAOYSA-N 319.409 -0.134 30 20 DBED C#CC(=O)N1CC2(CCCN2C(=O)CC(F)(F)C(=O)O)C1 1843355887 HNNBXHUIPZVZJN-UHFFFAOYSA-N 300.261 -0.067 30 20 DBED CO/C=C(\C)C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846195975 WRZRVXNANLCPDC-DHZHZOJOSA-N 306.318 -0.172 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@](C)(CN)C2)C1=O 261994809 NBDSNVGTMGZIAZ-AWEZNQCLSA-N 308.338 -0.840 30 20 DBED CC[C@H](C#N)NS(=O)(=O)c1cnc2c(c1)c(=O)nc(O)n2C 270130933 OWAXEHLAQWZFRB-SSDOTTSWSA-N 323.334 -0.385 30 20 DBED C#CCOc1ccc(F)cc1NC(=O)C(=O)NC[C@H](O)CO 275605945 GECQKGIITQUKPR-JTQLQIEISA-N 310.281 -0.754 30 20 DBED C=CCNC(=O)CNC(=O)N1CCCC[C@H](S(C)(=O)=O)C1 277965042 MHGLEXSAQAWTJR-NSHDSACASA-N 317.411 -0.103 30 20 DBED C#C[C@H](NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)C(C)C 282078952 NIEWLYFPRGTFEE-JTQLQIEISA-N 317.349 -0.792 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2[C@@H](C)CCN[C@H]2C)C1=O 286007582 JAZKMCSHXXOPFJ-JBLDHEPKSA-N 322.365 -0.534 30 20 DBED C[C@H]1CN(C2CC2)C[C@H]1NC(=O)NCCn1cnc(C#N)n1 287130446 QURRIWGNWBZNDW-CMPLNLGQSA-N 303.370 -0.068 30 20 DBED COC(=O)C[C@H](NS(=O)(=O)CC(C)(C)CC#N)C(=O)OC 295963009 MWVHYTPGMNYMPS-VIFPVBQESA-N 320.367 -0.050 30 20 DBED C[C@H](/N=C(/O)N(C)[C@@H]1COC[C@H]1O)[C@@H](C)N1CCOCC1 329228399 BSFADTBRRRDDOL-UMSGYPCISA-N 301.387 -0.299 30 20 DBED CS[C@H](CO)[C@H](C)N/C(O)=N/C[C@H]1CN(C)CCN1C 330836243 WZNVIMPQAGKYOX-SDDRHHMPSA-N 304.460 -0.152 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)NCCNC(=O)N(C)C 332509272 WVLPMLWIENDIDU-SNVBAGLBSA-N 305.404 -0.426 30 20 DBED CCOC(=O)[C@H](C)CNS(=O)(=O)N(CCC#N)CCOC 336893169 KXYQNMUFDIOBAH-LLVKDONJSA-N 321.399 -0.118 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)NCCNc2ccccn2)CCO1 336939427 IGRDILOBDRQQLK-LLVKDONJSA-N 311.367 -0.448 30 20 DBED CCN(CCC#N)S(=O)(=O)N[C@H](C)CS(=O)(=O)CC 336939749 INHXWZWRSDHOOJ-SNVBAGLBSA-N 311.429 -0.120 30 20 DBED CN(CCCn1ccnc1)S(=O)(=O)N1CCO[C@H](C#N)C1 336948576 QSGDMVZQJSNTKT-GFCCVEGCSA-N 313.383 -0.326 30 20 DBED CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCC#CCO 352187856 VGQMRIKWVXZFAL-JTQLQIEISA-N 309.326 -0.061 30 20 DBED N#CCC1(O)CN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 352211420 SBICHGBGDZMLEF-UHFFFAOYSA-N 318.289 -0.188 30 20 DBED Cc1ccc(S(=O)(=O)NCC(=O)NCC#N)c([N+](=O)[O-])c1 352511998 MWMSDHRAOLOSCA-UHFFFAOYSA-N 312.307 -0.179 30 20 DBED CCNC(=O)CN1CCN(S(=O)(=O)CCCCC#N)CC1 354465346 UETJDFHDRACDCQ-UHFFFAOYSA-N 316.427 -0.236 30 20 DBED CC(C)n1cc(C#N)c(NC(=O)C(=O)N[C@H](C)CN(C)C)n1 357602701 HLQJDDIBRGWSKR-SNVBAGLBSA-N 306.370 0.340 30 20 DBED N#Cc1ccc(S(=O)(=O)CCn2cnc([N+](=O)[O-])n2)nc1 361085403 HFJVGBIHXXCOSI-UHFFFAOYSA-N 308.279 -0.073 30 20 DBED C=CCNC(=O)NC(=O)CN(CCNS(C)(=O)=O)C1CC1 361376915 NCUDRKQUUVQVGH-UHFFFAOYSA-N 318.399 -0.988 30 20 DBED CN(C)C(=O)[C@H]1CC[C@H](CNS(=O)(=O)CC2(C#N)CC2)O1 361812833 JACVPFIVYZXWJK-GHMZBOCLSA-N 315.395 -0.155 30 20 DBED CC[C@H]1CN(CCNc2c(C#N)c(=O)n(C)c(=O)n2C)CCO1 362665259 OLAKZRWQZITVMG-NSHDSACASA-N 321.381 -0.522 30 20 DBED CCNC(=O)[C@@H](NS(=O)(=O)N1CCO[C@H](C#N)C1)C(C)C 432300407 ILUNOYUJSMAGDM-MNOVXSKESA-N 318.399 -0.794 30 20 DBED C#CCNC(=O)C1CCN(C(=O)CN2CCCCC2=O)CC1 491783467 JSTHQVZKJZVRNZ-UHFFFAOYSA-N 305.378 -0.013 30 20 DBED CC#CCCNC(=O)CCS(=O)(=O)NCC(=O)NC(C)C 544580905 FRPCPGGJFKBXDR-UHFFFAOYSA-N 317.411 -0.650 30 20 DBED CCc1cccc2c1N(C(=O)C(=O)NCC(=O)NCC#N)CC2 574427177 KILBWEBZNJLFPI-UHFFFAOYSA-N 314.345 -0.106 30 20 DBED N#CC1CN(C(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 590488367 PYWOYWSQOFYJON-AWEZNQCLSA-N 320.393 -0.318 30 20 DBED C[C@H](NC(=O)CN1CC[C@@](O)(CC#N)C1)C(=O)N1CCCCC1 592146849 KXAJWAWIAICXCQ-BBRMVZONSA-N 322.409 -0.146 30 20 DBED N#Cc1ccc(C(=O)N2CCCC[C@H]2CNS(N)(=O)=O)nc1 597740032 ZXECXVRIIIEQON-NSHDSACASA-N 323.378 -0.259 30 20 DBED C[C@@H](Sc1nnnn1C1CC1)C(=O)N1CC(O)(CC#N)C1 619443982 OOAGHEMRULGLGA-MRVPVSSYSA-N 308.367 -0.024 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N1CC(=O)N(CC2CC2)C1 619751645 URVMQHDLHSRGQT-SNVBAGLBSA-N 300.384 -0.023 30 20 DBED C=CCOC[C@H](NC(=O)c1ccnc2c1nnn2C)C(=O)O 630187305 MQKKXCQJFUYCON-VIFPVBQESA-N 305.294 -0.251 30 20 DBED CC#CC[C@H](CO)NC(=O)c1nnn(-c2cnn(C)c2)c1C 649181260 XIQHEDCNZWKYPI-LLVKDONJSA-N 302.338 -0.187 30 20 DBED C=CCN(C)C(=O)C(=O)N[C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O 685170843 UYKVKVUGOJESTI-CMPLNLGQSA-N 319.365 -0.326 30 20 DBED C#CCCN1CCC(NC(=O)CN2C(=O)NC(C)(C)C2=O)CC1 747403939 BUTSMRCTOKTLEW-UHFFFAOYSA-N 320.393 -0.079 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)c1cc(S(N)(=O)=O)c(C)o1 756446965 JECKFRRFSIMLAN-QMMMGPOBSA-N 314.319 -0.470 30 20 DBED CC#CCCCC(=O)OCC(=O)c1c(N)n(C)c(=O)n(C)c1=O 767667204 ISRSASKCHZGIPB-UHFFFAOYSA-N 321.333 -0.414 30 20 DBED Cn1c(=O)ccn(CC(=O)OC2CCN(CC#N)CC2)c1=O 770782222 PBASUDMITLXTSV-UHFFFAOYSA-N 306.322 -0.922 30 20 DBED C[C@H]1CN=C(NN=C(CNS(C)(=O)=O)c2ccccc2)N1 779793692 XPLIJUBQQBRGLK-JTQLQIEISA-N 309.395 -0.123 30 20 DBED C#CCNC(=O)[C@@H](C)OC(=O)[C@H]1COCCN1CC(F)F 786946102 KOOHAJFEQLFBDQ-NXEZZACHSA-N 304.293 -0.367 30 20 DBED C#CC[C@H](NC(=O)[C@@H]1CNC(=O)C[C@@H]1C(F)(F)F)C(=O)OC 823519093 KZJHHYGIZKCCCO-VGMNWLOBSA-N 320.267 -0.018 30 20 DBED C=CCn1cc(C(=O)NS(=O)(=O)[C@H](C)C(=O)OC)nn1 842754888 BDGOZNVWEJZRGG-SSDOTTSWSA-N 302.312 -0.915 30 20 DBED N#C[C@@H]1CN(C(=O)NCCCN2CCNCC2)CCN1C1CC1 891968136 GIQKXIUPZZJONX-OAHLLOKOSA-N 320.441 -0.337 30 20 DBED C#CC1(O)CN(S(=O)(=O)C[C@]2(OC(C)C)CCOC2)C1 908230411 WZKOYESCCKPGQH-ZDUSSCGKSA-N 303.380 -0.420 30 20 DBED CN(C)CC#CCNC(=O)CCCN1C(=O)NC(C)(C)C1=O 913515876 QZHPQEHNMWROOD-UHFFFAOYSA-N 308.382 -0.222 30 20 DBED N#CCCNC(=O)COC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 914818633 QQGVZDWDYCYFMW-MRVPVSSYSA-N 321.255 -0.030 30 20 DBED COCCNC(=O)[C@@H](C#N)C(=O)c1ccc(-n2cnnn2)cc1 916892722 ONCVXKISDHXRPD-LBPRGKRZSA-N 314.305 -0.253 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CCc1nc[nH]n1 936791264 HKYFYTVSNMRUFI-DCAQKATOSA-N 302.338 -0.291 30 20 DBED O=C1NC[C@H](C(=O)NC[C@@H]2CCCCN2C(=O)C#CC2CC2)N1 937398921 AIGIKLYNLNTFDB-QWHCGFSZSA-N 318.377 -0.422 30 20 DBED CO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1NC(=O)c1cncnc1O 942333961 SWMZJRIXDFRLNP-FBIMIBRVSA-N 319.321 -0.703 30 20 DBED N#Cc1cc(C(=O)NC[C@@H]2CCCC[C@@H]2NC(=O)C(N)=O)c[nH]1 946429063 ZFTSRTYDGZQYDG-CABZTGNLSA-N 317.349 -0.224 30 20 DBED CC#CCN1CC[C@H](NC(=O)CN2CCNC(=O)C2)C[C@@H]1C 947620424 NXELMQKREOWPTO-KBPBESRZSA-N 306.410 -0.589 30 20 DBED C[C@H](C#N)C(=O)N1CCC(NC(=O)[C@@H]2CCNC(=O)C2)CC1 948096304 JMFVMACZXDPJHY-GHMZBOCLSA-N 306.366 -0.221 30 20 DBED N#CCN1C[C@@H](O)[C@H](CNC(=O)c2cc3n(n2)CCCC3)C1 958161766 MGFGTXUEMQBSBQ-BXUZGUMPSA-N 303.366 -0.235 30 20 DBED C=CCCN1C[C@H](O)[C@H](CNC(=O)c2ccc(=O)n(C)c2)C1 958202742 KQFYVQVGSICSTL-KGLIPLIRSA-N 305.378 -0.016 30 20 DBED C=CCn1cc(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)CC)C2)nn1 958371670 FFCYLJZFUWVHCK-RYUDHWBXSA-N 307.354 -0.482 30 20 DBED C#CCCN1C[C@H](O)[C@H](CNC(=O)c2cncc(OC)n2)C1 958462923 IWBYXAJVQJHRIQ-YPMHNXCESA-N 304.350 -0.469 30 20 DBED C#CCN1C[C@H](CNC(=O)c2ccc(C(N)=O)cc2)[C@@H](O)C1 958662548 VHTAAPLXJLFYCH-KBPBESRZSA-N 301.346 -0.559 30 20 DBED C#CCCN1CC[C@@H](C)[C@H](NC(=O)CN2CC(=O)NC2=O)C1 968430025 ASSCRRYSQHCKKG-VXGBXAGGSA-N 306.366 -0.612 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCNC3=O)C[C@@H]2O)C1 970400304 GNHLAKHRQBDLTI-UTUOFQBUSA-N 321.377 -0.833 30 20 DBED C#CCN1C[C@H]2C(CNC(=O)c3ccc(-n4cnnn4)cn3)[C@@H]2C1 978522713 BRCYVMADQORURP-KBPBESRZSA-N 323.360 -0.402 30 20 DBED COCCN1C[C@H](C(=O)N2CCC(N(C)CC#N)CC2)CC1=O 985457363 PFGFGJXGKURUKZ-CYBMUJFWSA-N 322.409 -0.072 30 20 DBED C#Cc1ccc(C(=O)N2CC(NC(=O)Cc3cc[nH]n3)C2)nc1 990592935 VZOORCVYKUISJE-UHFFFAOYSA-N 309.329 -0.031 30 20 DBED C#CCCN1CCC[C@@H](NC(=O)CN2CC(=O)NC2=O)[C@@H]1C 994015955 BUQGLGWFPVXRBQ-NWDGAFQWSA-N 306.366 -0.469 30 20 DBED CN1CC[C@@H](CC(=O)NC2CN(C(=O)C#CC3CC3)C2)C1=O 994118829 OCQKXTOGCGQWHC-LBPRGKRZSA-N 303.362 -0.405 30 20 DBED C=CCN1CC[C@@H](n2cc(CNC(=O)c3nc[nH]n3)nn2)C1 1000030744 TWGKKDFEPGDGFC-LLVKDONJSA-N 302.342 -0.241 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnn[nH]3)C2)C1 1007672645 DAFGKHZEWWELRQ-YGRLFVJLSA-N 318.337 -0.592 30 20 DBED C[C@H](C#N)C(=O)N1CC=C(CNC(=O)[C@@H]2CN(C)CCO2)CC1 1017357522 YIFXGPKBJVYYCE-OCCSQVGLSA-N 320.393 -0.248 30 20 DBED C[C@H]1CC[C@H](NC(=O)Cn2ncnn2)CN1C(=O)C#CC1CC1 1018170639 BAMVUNYSIYIJIS-AAEUAGOBSA-N 316.365 -0.418 30 20 DBED N#Cc1ccccc1CN[C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 1019309048 ODWASTJQNSAGPE-KBPBESRZSA-N 313.361 -0.070 30 20 DBED CCc1cnc(CC(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2O)[nH]1 1024366836 MQCVZYPCWZHSDG-YUSALJHKSA-N 319.365 -0.638 30 20 DBED C=CCN[C@@H]1CC[C@H]2CN(C(=O)CN3CC(=O)NC3=O)C[C@H]21 1026378692 YBHVFEVDNATYGT-QJPTWQEYSA-N 306.366 -0.449 30 20 DBED C=CCN1CC[C@@H](NC2CCC(NC(=O)C(N)=O)CC2)C1=O 1026552616 WAODQWOPJCYWQE-HTAVTVPLSA-N 308.382 -0.724 30 20 DBED N#Cc1ccc(C(=O)NC2CN(C[C@H](O)Cn3cccn3)C2)[nH]1 1030227108 RDBCLNFEXBQXFV-ZDUSSCGKSA-N 314.349 -0.442 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN(Cc2ncnn2CC)C1 1030462045 JCQHHBQPCPDMGK-AWEZNQCLSA-N 316.409 -0.304 30 20 DBED N#Cc1ccc(F)c(CN2CC(NC(=O)[C@@H]3CNC(=O)N3)C2)c1 1030878549 RSYSHYSQIZPPRX-ZDUSSCGKSA-N 317.324 -0.321 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)c3cn(C)c(O)n3)C2)C1=O 1030899192 CLPUYNBDFUFCEW-GFCCVEGCSA-N 319.365 -0.673 30 20 DBED C=C(C)CN1CC(NC(=O)Cn2ncn3nccc3c2=O)C1 1031038751 DYICYJDZTLMUNC-UHFFFAOYSA-N 302.338 -0.733 30 20 DBED CC#CCN1CC(CNC(=O)[C@@H]2CCc3nnnn3CC2)C1 1031992603 HLFSEYWPVIHYCH-CYBMUJFWSA-N 302.382 -0.303 30 20 DBED C=CCCn1cc(C(=O)N2C[C@@H]3C[C@H]2CN3CC(=O)NC)nn1 1032675206 LMRBSOKNIMXHTI-RYUDHWBXSA-N 318.381 -0.501 30 20 DBED C#CCN1CC[C@H](N(C)C(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 1033284423 BAEFQOSYSMCXCB-AAEUAGOBSA-N 301.350 -0.469 30 20 DBED C#CCN1CC[C@@H](N(C)C(=O)c2nc(O)nc(O)c2OC)C1 1033578431 WQRCVOPGDSWOAU-SECBINFHSA-N 306.322 -0.324 30 20 DBED N#CCN1CCO[C@@H](CNC(=O)c2nc[nH]c3nccc2-3)C1 1035433015 CPXIDSQCTBSNIS-JTQLQIEISA-N 300.322 -0.136 30 20 DBED CN1CCCC[C@@H](C(=O)NC[C@@H]2CN(CC#N)CCO2)C1=O 1035573758 MLMCSUXGAGBLCI-OLZOCXBDSA-N 308.382 -0.415 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)[C@H]2CCc3n[nH]cc3C2)C1 1035575397 ZTLJQKSNLXKYGS-JSGCOSHPSA-N 302.378 -0.035 30 20 DBED C=C(C)CCC(=O)NC[C@]1(O)CCN(C(=O)c2cn(C)nn2)C1 1039986771 GTXLVNYEFNGJDS-OAHLLOKOSA-N 321.381 -0.135 30 20 DBED CC(C)C#CC(=O)N1CC[C@](O)(CNC(=O)c2cnn(C)n2)C1 1040302799 PZZJSKWSHZHUMX-HNNXBMFYSA-N 319.365 -0.832 30 20 DBED N#CCN1CC[C@]2(CCN(C(=O)CN3CCOCC3=O)C2)C1 1041362866 NLQKAQWBPBTMTI-HNNXBMFYSA-N 306.366 -0.707 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)Cc2cnn(C)c2)C1 1041952312 PEUGMFFKEUJHSZ-UHFFFAOYSA-N 318.377 -0.544 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)[C@H]2CCCC(=O)N2C)C1 1041956238 BOEFTFKEGUFZAQ-GFCCVEGCSA-N 323.393 -0.347 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)c2ccn(C)c2)C1 1042040551 UKNKHSPQHXTNPV-UHFFFAOYSA-N 307.350 -0.469 30 20 DBED CN1CCN(CC(=O)N2CC[C@H]3CCN(CC#N)[C@@H]3C2)CC1=O 1042124117 ZFGHKCKBEXDILV-ZIAGYGMSSA-N 319.409 -0.793 30 20 DBED C=C[C@](C)(CC)C(=O)N1CC(O)(CNC(=O)c2cnnn2C)C1 1042848313 QYRSNUQUWYKYCG-CQSZACIVSA-N 321.381 -0.280 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)C[C@](C)(O)C=C)C1 1043039555 HRSYZNRAMYRZPL-SWLSCSKDSA-N 324.377 -0.959 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)Cc2ccc[nH]2)C1 1043288641 FWIWNNDZGBHYFG-UHFFFAOYSA-N 319.361 -0.713 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)CCn2ccnc2)C1 1044137547 LYLXTYQNCSXDEK-NSHDSACASA-N 305.338 -0.878 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)[C@H]2CCCN2C)C1 1044463539 GSXKDCDMNSHXKT-GFCCVEGCSA-N 309.410 -0.018 30 20 DBED CC#CCCCC(=O)NCC1(O)CN(C(=O)c2cn(C)nn2)C1 1044994104 JUMJHRWPEITCAF-UHFFFAOYSA-N 319.365 -0.688 30 20 DBED Cc1cc(C(=O)N2CC(O)(CNC(=O)[C@H](C)C#N)C2)nc(C)n1 1045540175 DRBOSUGGQZRGCM-SECBINFHSA-N 317.349 -0.444 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)CN2CCC[C@@H]2C)C1 1046664537 IATZSJVSCSZSAL-RYUDHWBXSA-N 308.382 -0.680 30 20 DBED C=CCCN1CC[C@@](C)(NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 1046844818 SFJFYPMOFQRQHD-WCQYABFASA-N 301.412 -0.165 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)C1 1047401987 JLXZMBYNZCJJHR-RDBSUJKOSA-N 321.421 -0.230 30 20 DBED C=CCO[C@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cocn2)C1 1048547059 BWZFJCBXVQDVNH-WXHSDQCUSA-N 323.349 -0.091 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2COC(=O)C2)C1 1048683478 VUVSSDVJQBVWTD-AVGNSLFASA-N 324.377 -0.064 30 20 DBED CC(C)[C@H](C(=O)N(C)[C@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1O)N(C)C 1049475632 ZLKUGTWVDORCOS-ZOBORPQBSA-N 324.425 -0.238 30 20 DBED C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)CCn1ncn(C)c1=O 1049611790 KPOQVGHWYFLKQA-KBPBESRZSA-N 317.393 -0.330 30 20 DBED C#CCCN1CCOC[C@H]1CNC(=O)c1cn(CC=C)nn1 1051156782 YAMIBNQKORBPBT-CYBMUJFWSA-N 303.366 -0.082 30 20 DBED C=CCN1CCOC[C@H]1CNC(=O)[C@@H]1CCc2nn[nH]c2C1 1051209800 NKIQTDALEUVTMU-VXGBXAGGSA-N 305.382 -0.087 30 20 DBED N#CCN1CCOC[C@H]1CNC(=O)c1ccc(C(N)=O)cn1 1051267564 CNQMRBPNVUPXRW-LLVKDONJSA-N 303.322 -0.865 30 20 DBED N#Cc1cnc(N2CC[C@H](NC(=O)c3cn[nH]c3)[C@H](O)C2)cn1 1051625843 FPGKLFBEGQIBPS-NWDGAFQWSA-N 313.321 -0.559 30 20 DBED C=CCN1CCN([C@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)C2)CC1 1052074182 VZGYWXVXWFXBFC-STQMWFEESA-N 307.398 -0.928 30 20 DBED C#CCN1CC2(CC[C@H](CNC(=O)C3CS(=O)(=O)C3)O2)C1 1053604897 SFHPGAOGWXOCKH-GFCCVEGCSA-N 312.391 -0.986 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)c3ccn(CCOC)n3)CO2)C1 1053867536 MXEHDKYUTAWCNV-CYBMUJFWSA-N 318.377 -0.264 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)c3coc(C(N)=O)c3)CO2)C1 1053881969 RMUNFWJUIWPSPI-LBPRGKRZSA-N 317.345 -0.025 30 20 DBED Cc1nn(C)c(F)c1C(=O)N[C@H]1COC2(C1)CN(CC#N)C2 1053995359 WUIVDNVINAGAFG-SNVBAGLBSA-N 307.329 -0.036 30 20 DBED C=C(C)[C@@H](CC(=O)N1C[C@H]2CN(C(=O)C(N)=O)C[C@H]2C1)OCC 1055364526 ZGKCDXLTFGXCGC-FRRDWIJNSA-N 323.393 -0.240 30 20 DBED N#Cc1nccc(N2CCN(C(=O)c3ccc(O)nn3)CC2)n1 1055715063 REQCDWXKXZLKEK-UHFFFAOYSA-N 311.305 -0.194 30 20 DBED Cn1nnc(C(=O)N[C@H]2[C@@H]3CN(c4ccc(C#N)cn4)C[C@@H]32)n1 1056372025 GJAXGHCTKOEUOL-IAZYJMLFSA-N 310.321 -0.659 30 20 DBED Cc1cc(C(=O)N(CCO)CCNC(=O)C#CC(C)C)n[nH]1 1057101541 RRTRKTWEQKRTLQ-UHFFFAOYSA-N 306.366 -0.072 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)c1cn(C)nc1OC 1057173785 DHQQXPCCPMAUEU-UHFFFAOYSA-N 324.381 -0.054 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)CCS(C)(=O)=O 1057175101 USSCVWNOZGFNML-UHFFFAOYSA-N 320.411 -0.676 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)c1ccns1 1057196279 BERSTLQUWULWNU-UHFFFAOYSA-N 313.379 -0.104 30 20 DBED C=C[C@](C)(CC)C(=O)NCCN(CCO)C(=O)Cn1ncnn1 1057673477 DJUKYFYXWOXQKC-CQSZACIVSA-N 324.385 -0.788 30 20 DBED N#Cc1cnc(N2CCC[C@H](NC(=O)[C@@H]3CCNC3=O)C2)cn1 1058221209 XRHBKZWTRNOUGZ-CMPLNLGQSA-N 314.349 -0.431 30 20 DBED N#Cc1nccnc1N1CC[C@@H](NC(=O)[C@H]2CCNC(=O)C2)C1 1058336455 WVIGHZXCRBMQOJ-WDEREUQCSA-N 314.349 -0.431 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)CCc1cnc[nH]1 1058661026 NDWPHVBEKBLSRX-LLVKDONJSA-N 307.354 -0.561 30 20 DBED N#Cc1ccc(NC[C@@H]2CCN(C(=O)Cn3ncnn3)C2)nc1 1060927174 JJVHARDRVMNRNX-LBPRGKRZSA-N 312.337 -0.100 30 20 DBED C=CCOCC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1CCOC1 1061421714 SSPLJKULIRPMJC-CHWSQXEVSA-N 312.366 -0.431 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@H]1COCCN1C(=O)c1cnn[nH]1 1061538952 UUULMSWTQOXQQC-HZMBPMFUSA-N 323.353 -0.911 30 20 DBED C[C@H](CC(N)=O)C(=O)NC[C@@H]1COCCN1C(=O)C#CC1CC1 1061749956 OLLGCWKSPHAHAW-DGCLKSJQSA-N 321.377 -0.745 30 20 DBED C[C@H](C#N)C(=O)N1CCCC[C@@H]1CNC(=O)Cn1cncn1 1062333848 FFUADWYYNUETBI-VXGBXAGGSA-N 304.354 -0.065 30 20 DBED C#CCOCCC(=O)NCC1(NC(=O)c2nc[nH]n2)CCC1 1063038292 AESWHLPTRCUHOG-UHFFFAOYSA-N 305.338 -0.387 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)Cc2n[nH]c(C)n2)CCO1 1065138077 IJKISILENXYLLA-GFCCVEGCSA-N 321.381 -0.035 30 20 DBED CC(C)(C(N)=O)C(=O)N1CCO[C@@H](CNC(=O)C#CC2CC2)C1 1065263451 WCHYXWDBDCAWJA-LBPRGKRZSA-N 321.377 -0.745 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCO[C@H](CNC(=O)c2cnn[nH]2)C1 1065284522 MPWLQYVXSMFMNX-WDEREUQCSA-N 323.353 -0.647 30 20 DBED C[C@]1(CNc2nccnc2C#N)CCN(C(=O)CC(N)=O)C1 1065403403 ZEUHWLFAMYTHQU-CQSZACIVSA-N 302.338 -0.126 30 20 DBED C=CCOCC(=O)N[C@@H]1CCCN(C(=O)[C@H]2CCC(=O)N2)CC1 1065985489 QUBZEUCRHXMDGZ-CHWSQXEVSA-N 323.393 -0.035 30 20 DBED N#Cc1nccnc1N1C[C@H]2CN(C(=O)Cn3nccn3)C[C@H]2C1 1066032212 KQCOALADMVRWRX-TXEJJXNPSA-N 324.348 -0.465 30 20 DBED C=CCOCC(=O)N(C)CCCN(C)C(=O)c1c[nH]c(=O)cn1 1066999450 YGJQZNMMBITPTN-UHFFFAOYSA-N 322.365 -0.107 30 20 DBED C[C@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1Nc1ccc(C#N)nn1 1067187811 XZOXVBOFGRILIA-GXSJLCMTSA-N 314.349 -0.127 30 20 DBED C[C@H](C#N)C(=O)N(C)CCCN(C)C(=O)[C@H]1CN(C)C(=O)N1 1067899698 XQQIEDUTMPSHJL-GHMZBOCLSA-N 309.370 -0.523 30 20 DBED Cc1nn[nH]c1C(=O)NCC1[C@@H]2CN(c3cnc(C#N)cn3)C[C@@H]12 1068191673 BJDBJFDOPGMJQC-RYUDHWBXSA-N 324.348 -0.113 30 20 DBED Cc1cc(C#N)nc(N2CC[C@]3(NC(=O)C(N)=O)CCC[C@H]23)n1 1069282048 GZJIVXUAUBTYMT-XHDPSFHLSA-N 314.349 -0.240 30 20 DBED CCC1(NC(=O)[C@@H](C)C#N)CCN(C(=O)CNC(=O)NC)CC1 1069423829 KJPLMHSFGNRLJZ-NSHDSACASA-N 323.397 -0.038 30 20 DBED N#CCN1CCn2ncc(CNC(=O)[C@@H]3[C@H]4COC[C@H]43)c2C1 1069870463 WSGYZDYLSQQUMG-IMRBUKKESA-N 301.350 -0.269 30 20 DBED Cn1cncc1[C@@H]1CN(C(=O)[C@@]2(F)CCOC2)C[C@H]1NCC#N 1070682010 FLMACHPTWLZYEX-LALPHHSUSA-N 321.356 -0.044 30 20 DBED C=CCN1C[C@H]2C[C@H]3CN(C(=O)c4cnnn4C)C[C@@]3(C1)O2 1070794867 DQWPKMMJJJJDHZ-YWPYICTPSA-N 303.366 -0.084 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)Cn4cncn4)C[C@@]3(C1)O2 1070887950 YPJFLBQDENCXCP-UMVBOHGHSA-N 301.350 -0.787 30 20 DBED N#CCN1CCNC(=O)CCN(C(=O)c2ccnnc2)CC1 1071002822 GKIXIZMHKSYHHI-UHFFFAOYSA-N 302.338 -0.736 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](NC(=O)Cc2nc[nH]n2)[C@H](C)C1 1072047207 AYXXUKXMRZWQFP-VXGBXAGGSA-N 303.366 -0.030 30 20 DBED C[C@H]1CN(C(=O)C#CC(C)(C)C)C[C@@H]1NC(=O)Cn1ncnn1 1072063870 RCGZHTONUQZMSA-RYUDHWBXSA-N 318.381 -0.314 30 20 DBED C#CCCCC(=O)N[C@H]1CN(C(=O)CNC(=O)NC)C[C@@H]1C 1072268739 RLOAUGRXPKLAQL-RYUDHWBXSA-N 308.382 -0.318 30 20 DBED N#CCN1CCC2(C1)CN(C(=O)CC[C@@H]1NC(=O)NC1=O)C2 1073413149 RORISQCXTOKSRJ-JTQLQIEISA-N 305.338 -0.968 30 20 DBED CCNC(=O)CC(=O)N1CCC(O)(CNC(=O)[C@H](C)C#N)CC1 1074555911 NFXYBHDANZDPDJ-LLVKDONJSA-N 324.381 -0.858 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CCN(C(=O)Cn2ccnc2)CC1 1074631870 KBDQBVXLJDHYSJ-GFCCVEGCSA-N 319.365 -0.488 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)c2ccnc3c2ncn3C)C1 1077658793 NCZUAOTXNCMCBB-VXGBXAGGSA-N 301.350 -0.071 30 20 DBED C[C@@H](CCNC(=O)[C@@H]1CNC(=O)N1)NC(=O)c1ccc(C#N)[nH]1 1078091468 WGTSWMBGBLRSSS-KWQFWETISA-N 318.337 -0.808 30 20 DBED C#CCN[C@H]1C[C@H](NC(=O)CN2CCNC(=O)C2)C12CCC2 1078696272 UORULPAHLGHTEZ-STQMWFEESA-N 304.394 -0.932 30 20 DBED CCN(C(=O)[C@H]1CCC(=O)N1)C1CN(C(=O)C#CC(C)C)C1 1079486902 MNJWFFUYBIHWFA-CYBMUJFWSA-N 305.378 -0.016 30 20 DBED CCN(CC1CCN(C(=O)[C@@H](C)C#N)CC1)C(=O)CNC(N)=O 1081118234 WFUOBZSOHWOTIE-NSHDSACASA-N 323.397 -0.099 30 20 DBED C#CCOCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2ccon2)C1 1081302071 GKUYPMXUBJTJDQ-DGCLKSJQSA-N 321.333 -0.736 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2ccon2)C1 1081305045 LIVDPYGOWWQJBH-WCQYABFASA-N 305.334 -0.117 30 20 DBED C#CCOCCC(=O)N1C[C@H](CNC(=O)CCC=C)[C@@H](O)C1 1081337871 JSXKZDXXOHLYIN-KBPBESRZSA-N 308.378 -0.072 30 20 DBED C=CCOCC(=O)N1C[C@H](CNC(=O)c2cncn2C)[C@@H](O)C1 1081582094 CUJKVKXMKUTSOG-AAEUAGOBSA-N 322.365 -0.828 30 20 DBED Cn1cc(CCC(=O)N2CCO[C@@H]3CN(CC#N)C[C@@H]32)cn1 1083282988 CMWUOPRUEHUZCP-UONOGXRCSA-N 303.366 -0.212 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)c2ccc(S(C)(=O)=O)o2)C1 1083828583 ZODCFYFSJJUTEW-ZJUUUORDSA-N 314.363 -0.356 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)c2cc3c(nc2O)CCOC3)C1 1083940498 YOBVCGHRXXBYJQ-KGLIPLIRSA-N 319.361 -0.179 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)c2ccc(C(N)=O)cc2)C1 1084048147 JXBUITHEPOLYDX-KGLIPLIRSA-N 301.346 -0.416 30 20 DBED C=CCN1CC[C@@H]2CN(C(=O)CCn3ncn(C)c3=O)[C@@H]2C1 1084545629 RQSOQSNPRBUPLG-CHWSQXEVSA-N 305.382 -0.309 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)[C@@H]3CCCS(=O)(=O)C3)[C@@H]2C1 1084696919 OVIOYVGJGXKKEI-MGPQQGTHSA-N 310.419 -0.023 30 20 DBED C#CCN1CC[C@H](NC(=O)CN2C(=O)CN(C)C2=O)[C@H]1CC 1087821969 OQFVXKKGNUYRAR-NWDGAFQWSA-N 306.366 -0.517 30 20 DBED C#CCN[C@H]1CCCCCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 1088391504 MIQVEKUAKYLAQN-RYUDHWBXSA-N 306.366 -0.422 30 20 DBED N#CCN1CC[C@H](NC(=O)c2ccc3c(c2)NC(=O)C3)[C@@H](O)C1 1090278037 ANXFOWCWFCBFMY-JSGCOSHPSA-N 314.345 -0.130 30 20 DBED COCCC(=O)N[C@@H]1CN(c2nc(C)ccc2C#N)C[C@H]1O 1090360857 MYGJGJZOTBWFFH-CHWSQXEVSA-N 304.350 -0.036 30 20 DBED CCN(C)CCC(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1O 1090473565 PSSGSVAMWLKNJS-CHWSQXEVSA-N 318.381 -0.644 30 20 DBED C=CCCN1CC[C@@H](NC(=O)c2cnc(O)n(C)c2=O)[C@@H](O)C1 1090485518 IPDQAUMBCWHXBR-NEPJUHHUSA-N 322.365 -0.773 30 20 DBED C=CCCN1CC[C@@H](NC(=O)c2nccnc2C(N)=O)[C@@H](O)C1 1090793326 INCLYDWLLGDHBR-MNOVXSKESA-N 319.365 -0.683 30 20 DBED COCCC(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1OC 1090853350 HLIWWKDMQJZZNQ-VXGBXAGGSA-N 305.338 -0.295 30 20 DBED CS(=O)(=O)CC(=O)NC[C@H]1C[C@@H](Nc2ccc(C#N)nn2)C1 1091317915 FMKKSKDCSZYALD-JGZJWPJOSA-N 323.378 -0.300 30 20 DBED N#Cc1ccc(N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)CC(N)=O)nn1 1092810052 SIXQXMQKMHIHKV-VWYCJHECSA-N 300.322 -0.550 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@@H]2CN(c3ccncc3C#N)C[C@@H]12 1093265844 LRRWFXDDGCQMIE-CHWSQXEVSA-N 323.356 -0.356 30 20 DBED N#Cc1c[nH]ccc1=NCCNC(=O)c1ccc2nnnn2c1 1093986571 WZYRGFJAPFAFKR-UHFFFAOYSA-N 308.305 -0.345 30 20 DBED N#Cc1nccnc1NCCNC(=O)C[C@@H]1CCCS1(=O)=O 1094011269 CSZJQBZNACZRGU-JTQLQIEISA-N 323.378 -0.156 30 20 DBED C[C@@H](CC(N)=O)C(=O)N1CC[C@@H](Nc2cnc(C#N)cn2)C1 1095076943 HFYCVVOSURZHER-VHSXEESVSA-N 302.338 -0.127 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](N(C)c2cnc(F)cn2)C1 1095110057 CTJRSRNCMAPVCK-NSHDSACASA-N 319.340 -0.208 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](N(C)c2nccnc2F)C1 1095111259 PESMLIZMPPMNHQ-NSHDSACASA-N 319.340 -0.208 30 20 DBED CNC(=O)NCC(=O)NC1CCN(c2ccnc(C#N)n2)CC1 1095449825 QEBIBIFGHZZUTF-UHFFFAOYSA-N 317.353 -0.638 30 20 DBED CO[C@H]1C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC#N)N(C(C)=O)C1 1095821376 HXXCCLIYBSJPBC-CAEXGNQWSA-N 320.393 -0.133 30 20 DBED CCc1nc(C#N)cc(N(CCCNC(=O)C(N)=O)C2CC2)n1 1096074782 VDIWELQZMDVQQK-UHFFFAOYSA-N 316.365 -0.129 30 20 DBED N#Cc1cnc(N2CC[C@@H](NC(=O)CNC(N)=O)C2)c(F)c1 1096322575 LBLDOUUEVMZSOY-SECBINFHSA-N 306.301 -0.544 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H](CNC(=O)[C@@H]1CCNC1=O)C1CC1 1096783512 LFSYSMJWEULMKE-OCCSQVGLSA-N 313.361 -0.182 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)Nc1ncc(C#N)cc1F 1098250960 QNWVYBNGEPLFTO-XVKPBYJWSA-N 306.301 -0.310 30 20 DBED CC#CCN(CCO)C1CCN(C(=O)[C@@H](COC)OC)CC1 1098473245 XPOWOGXIFCFDEZ-OAHLLOKOSA-N 312.410 -0.044 30 20 DBED C#CCNCc1cn([C@@H]2CCN(C(=O)[C@H]3COCCO3)C2)nn1 1098622987 URHJRCUOGSRSCI-ZIAGYGMSSA-N 319.365 -0.810 30 20 DBED CNC(=O)NCCC(=O)NCC[C@H](C)Nc1cnc(C#N)cn1 1099096078 SYDXKPZXNKCOLU-JTQLQIEISA-N 319.369 -0.026 30 20 DBED C#CCCCC(=O)N[C@H]1CCN(Cc2cnnn2C)C[C@H]1O 1099807416 PNBSLKMMAGTNMW-UONOGXRCSA-N 305.382 -0.330 30 20 DBED C#CCN1CC[C@H](NC(=O)CCc2cc(OC)no2)[C@H](O)C1 1099853292 NRAVDOPTMDKRKR-QWHCGFSZSA-N 307.350 -0.200 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCN(CCOCC)C[C@H]2O)nn1 1100027345 PJCHMJAQFZUCGP-GXTWGEPZSA-N 323.397 -0.334 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CCCn2cncn2)[C@H](O)C1 1100064752 QTIKMWRQTQWEQY-ZIAGYGMSSA-N 305.382 -0.367 30 20 DBED C=CCCOCC(=O)N[C@@H]1CCN(CCn2cncn2)C[C@H]1O 1100138873 LYCKCRDUIZBFSE-ZIAGYGMSSA-N 323.397 -0.578 30 20 DBED CN(CCNC(=O)CCCCNC(N)=O)c1cnc(C#N)cn1 1100215722 CWWGJAMGSBBROV-UHFFFAOYSA-N 319.369 -0.261 30 20 DBED CCCN(CCNC(=O)CNC(=O)NC)c1ccc(C#N)nn1 1101254986 VFRBQWAYYXDADF-UHFFFAOYSA-N 319.369 -0.390 30 20 DBED CCS(=O)(=O)CC(=O)N(C)CCNc1cncc(C#N)n1 1101648528 HSXBFPWFPISQMI-UHFFFAOYSA-N 311.367 -0.347 30 20 DBED CN(CCNc1ccc(C#N)nn1)C(=O)C[C@@H]1CC(=O)NC1=O 1101680458 MVRHAWJOVCKWJB-VIFPVBQESA-N 316.321 -0.729 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1CNC(=O)[C@@H]1CCCOC1 1101807461 AZBRZGGNTCWDLK-MGPQQGTHSA-N 322.409 -0.263 30 20 DBED CC[C@H](CNC(=O)[C@@H](C)CC(N)=O)N=c1cc[nH]c(C#N)n1 1103279809 WDMPLTLBUXBTSP-VHSXEESVSA-N 304.354 -0.412 30 20 DBED C[C@H](CNC(=O)[C@H](C)NC(N)=O)CNc1ccc(C#N)nn1 1103935028 PYZITQZUVHJOBT-IUCAKERBSA-N 305.342 -0.431 30 20 DBED C[C@@H](CNc1nccnc1C#N)N(C)C(=O)[C@@H]1COC(=O)N1 1104545592 RLDQVAWWVPHXJL-WPRPVWTQSA-N 304.310 -0.285 30 20 DBED C#CCOCCC(=O)N(C)[C@@H](C)CNc1ccc2nnnn2n1 1104678515 VBEKIPPGPQHCIH-NSHDSACASA-N 317.353 -0.182 30 20 DBED C[C@H](CN=c1cc[nH]cc1C#N)N(C)C(=O)Cn1ncnn1 1104688366 FVCFOQRLMAJORX-SNVBAGLBSA-N 300.326 -0.679 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)[C@H]1CCC(=O)N1C 1104779470 BDQKWFIRJHDFFJ-WDEREUQCSA-N 316.365 -0.350 30 20 DBED COC[C@@H](OC)C(=O)N(C)[C@@H](C)CN=c1cc[nH]c(C#N)n1 1104802074 FLZRNSXAHMVCSQ-WDEREUQCSA-N 307.354 -0.310 30 20 DBED CN(CCN(C)c1ccnc(C#N)n1)C(=O)CS(C)(=O)=O 1105344542 JUWKTHLLAYGXJR-UHFFFAOYSA-N 311.367 -0.713 30 20 DBED Cc1cc(C(=O)NC[C@H](O)CN=c2cc[nH]c(C#N)n2)nn1C 1105733814 YTBVLXZTTCJRBC-SNVBAGLBSA-N 315.337 -0.985 30 20 DBED Cn1cc(CC(=O)NC[C@H](O)CNc2ccc(C#N)nc2)cn1 1105782185 IUNIHNGZJHLGNU-CQSZACIVSA-N 314.349 -0.182 30 20 DBED COCCC[C@H](C)C(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1 1105965834 HOLICTDDORWAOF-RYUDHWBXSA-N 321.381 -0.278 30 20 DBED C=CCCNC[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)C[C@H]1C 1106958839 AGBJZTJSXWXWRK-VXGBXAGGSA-N 308.382 -0.202 30 20 DBED CN(C)C(=O)CN1CCO[C@@](C)(CNC(=O)C#CC2CC2)C1 1107932791 SIWIWQJDQVMYHQ-INIZCTEOSA-N 307.394 -0.305 30 20 DBED COCC#CCN1CCO[C@](C)(CNC(=O)Cc2nc[nH]n2)C1 1108331489 ROKKVNMOSTYSMW-OAHLLOKOSA-N 321.381 -0.796 30 20 DBED C#CCOCCC(=O)N[C@H]1CC(=O)N(C2CN(C(C)C)C2)C1 1108546133 OZRSNRAGYDVNSB-ZDUSSCGKSA-N 307.394 -0.164 30 20 DBED CCC(=O)NCC(=O)N[C@@H](C)CN(C)c1nccnc1C#N 1108879968 MDGMHYSHJUPQCP-JTQLQIEISA-N 304.354 -0.185 30 20 DBED C[C@@H](CN(C)c1nccnc1C#N)NC(=O)[C@H]1CCN(C)C1=O 1109184139 ULNWJHYJUXQZPI-WDEREUQCSA-N 316.365 -0.233 30 20 DBED C[C@H](CN(C)c1ccc(C#N)cn1)NC(=O)[C@@H]1CNC(=O)N1 1109210610 DIGMAWNPUWAOLJ-KOLCDFICSA-N 302.338 -0.424 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1109212997 LMYBLAPGICJMJV-DVZHBHJUSA-N 320.393 -0.325 30 20 DBED CN(CCCN=c1cc[nH]c(C#N)n1)C(=O)CNC(=O)C1CC1 1109400189 TXPINYZJWXCSOZ-UHFFFAOYSA-N 316.365 -0.443 30 20 DBED CN(CCCN=c1cc[nH]c(C#N)n1)C(=O)CO[C@@H]1CCOC1 1109532860 WCOXMEYDLGOMQB-GFCCVEGCSA-N 319.365 -0.164 30 20 DBED N#Cc1nc(=NC[C@H](NC(=O)[C@H]2COC(=O)N2)C2CC2)cc[nH]1 1109832851 OVKWKBBCVOVCBB-VHSXEESVSA-N 316.321 -0.815 30 20 DBED CN(C)CCC(=O)NC[C@@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1112755065 LIDIHOTXWJUEFQ-NEPJUHHUSA-N 318.381 -0.787 30 20 DBED CN(C)C1(C(=O)N2CCN(CC(=O)NCC#N)CC2)CCC1 1112961900 VAACJRJBLYEJNV-UHFFFAOYSA-N 307.398 -0.745 30 20 DBED C[C@@H](N=c1cc[nH]c(C#N)n1)[C@@H](C)NC(=O)c1cnnc(O)c1 1113195342 BLDQRPWUJOWNGC-RKDXNWHRSA-N 313.321 -0.115 30 20 DBED CC[C@H]1C[C@@H](C(=O)N2CCN(CC(=O)NCC#N)CC2)CCO1 1113500625 CBINNAUYNRTCSN-KBPBESRZSA-N 322.409 -0.024 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)CSCCC)[C@H]2C1 1113950483 JATMMTOLJNCCTQ-JYAVWHMHSA-N 309.435 -0.075 30 20 DBED C[C@H](C#N)C(=O)NC1[C@@H]2CN(CC(=O)Nc3cnccn3)C[C@@H]12 1114067841 XOVCCGKRGWEPGE-GMTAPVOTSA-N 314.349 -0.379 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)C(=O)C(C)(C)C)[C@@H]2C1 1114077169 NPOVVKNOXBPTTJ-GHMZBOCLSA-N 307.394 -0.050 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)C[C@H]3CCOC3)[C@@H]2C1 1114084642 CNHRWAYZAYMXGB-JHJVBQTASA-N 305.378 -0.791 30 20 DBED C=CCOCCN1C[C@H]2C(NC(=O)[C@@H]3CN(C)CCO3)[C@@H]2C1 1114091121 QULOXZLKWCVAHD-MCIONIFRSA-N 309.410 -0.434 30 20 DBED CC(C)C#CC(=O)N[C@H]1[C@@H]2CN([C@H](C)C(=O)NC(N)=O)C[C@@H]21 1114234300 JHWYTLZANXCWCT-DCQANWLSSA-N 306.366 -0.724 30 20 DBED C=CCOCCN1C[C@H]2[C@H](NC(=O)CCc3cnn(C)n3)[C@H]2C1 1114843012 GLGHDAIKLYDCQZ-FOLVSLTJSA-N 319.409 -0.003 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)Cn3ccccc3=O)[C@H]2C1 1115219141 RINIRWVQGWXRMJ-HALDLXJZSA-N 315.373 -0.456 30 20 DBED C[C@@H](CN(C)C(=O)Cn1cncn1)Nc1cncc(C#N)n1 1115729054 TVAPTEISMDNESS-JTQLQIEISA-N 300.326 -0.101 30 20 DBED N#Cc1ccc(NCCNC(=O)C(=O)Nc2cncnc2)nc1 1116637190 OYXFPBYKFONSBX-UHFFFAOYSA-N 311.305 -0.090 30 20 DBED C=CC[C@@H](NC(=O)c1ccc(S(=O)(=O)NC)o1)C(=O)O 1116916557 CDWJNZYKQURBQH-SSDOTTSWSA-N 302.308 -0.053 30 20 DBED C=CCN(C(=O)C(=O)NCCCN1C(=O)CNC1=O)C(C)C 1117328542 DDCJWSVHYQCMJP-UHFFFAOYSA-N 310.354 -0.533 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N(C)C[C@@H]2CCOC2)nn1 1118178340 NSYNQQHIUJBZTR-NSHDSACASA-N 307.354 -0.425 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CC[C@H](C(=O)OCC)C1)[C@@H]1CCCO1 1119781464 UYVJKCZSRHQISY-AVGNSLFASA-N 322.361 -0.305 30 20 DBED N#Cc1cnc(N[C@@H](CO)CNC(=O)c2ccc(C#N)[nH]2)cn1 1121317112 IQMQVKILTWSIKW-LLVKDONJSA-N 311.305 -0.249 30 20 DBED CO[C@H](C(=O)NC[C@H](CO)Nc1ccc(C#N)nn1)C(C)C 1122445932 WSLOBIKOVMPIGO-YPMHNXCESA-N 307.354 -0.092 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)c1cc(C)on1 1123223614 HEUBGCCGWMXSAE-JTQLQIEISA-N 323.353 -0.297 30 20 DBED COC[C@H](C)C(=O)N(C)C[C@H](O)CNc1cncc(C#N)n1 1124197625 ZMLWEKPBQVWPHA-CMPLNLGQSA-N 307.354 -0.138 30 20 DBED CN(C[C@H](O)CNc1cnc(C#N)cn1)C(=O)[C@H]1CCCN1C 1124207679 RBLYJRBYZAWMNG-CHWSQXEVSA-N 318.381 -0.326 30 20 DBED CN(C[C@H](O)CNc1nccnc1C#N)C(=O)c1cncn1C 1124593254 XIYQVZLOKMUCLJ-SNVBAGLBSA-N 315.337 -0.373 30 20 DBED CCOCC(=O)N(C)C[C@@H](O)CN(C)c1nc(C)cc(C#N)n1 1124952039 PCXGLVUMYFYJMH-CYBMUJFWSA-N 321.381 -0.051 30 20 DBED CO[C@@H](C)C(=O)N(C)C[C@H](O)CN(C)c1ccc(C#N)nn1 1124958591 VUHCQYYQUACHNV-CMPLNLGQSA-N 307.354 -0.361 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)c1coc(C)n1 1126184500 KAIDMENXAYVKHL-VIFPVBQESA-N 323.353 -0.297 30 20 DBED C=C[C@](C)(O)CC(=O)NCCNCc1nc(CCOC)no1 1126361041 VFCIHYFECCZFPF-AWEZNQCLSA-N 312.370 -0.209 30 20 DBED C=C(C)CN(CC)C(=O)[C@H](C)NCCNC(=O)c1cnnn1C 1126540644 AWADOEHPBRHDOJ-LBPRGKRZSA-N 322.413 -0.052 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)CCC(=O)NCC)C1 1128816174 BXPVVYLFIJLRDM-OLZOCXBDSA-N 320.397 -0.278 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)[C@H]1CCCC(=O)N1 1130031077 DZNBLJLBWCZOEQ-GFCCVEGCSA-N 323.397 -0.877 30 20 DBED O=C(C#CC1CC1)NCc1nc([C@@H]2COCCN2CCO)n[nH]1 1130849869 QODSOWSQNUMTNL-LBPRGKRZSA-N 319.365 -0.800 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)c1cc(C(N)=O)cn1C 1130893204 FGVKOIUSHDGEJI-JTQLQIEISA-N 321.381 -0.866 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(=O)NCCN(CCC[C@@H](C)O)CC1 1131339532 GVSNQKWDYYNNER-UONOGXRCSA-N 324.425 -0.042 30 20 DBED C=CCNC(=O)CN1C[C@H](NC(=O)c2ncn(C)n2)CC[C@H]1C 1132002974 OYBOXFITTSNJOD-VXGBXAGGSA-N 320.397 -0.300 30 20 DBED C#CCNC[C@@H]1CN(C(=O)Cn2nc(C)n(C)c2=O)CC[C@H]1C 1133288236 HUDWBNCIBGTICU-TZMCWYRMSA-N 319.409 -0.402 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)c1cn(C)c(O)n1 1133332128 DREQCKTYILLNML-UHFFFAOYSA-N 322.369 -0.793 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)C1=COCCO1)NCC(=O)NCC#N 1133580571 BZPCOCKCQGLABB-WDEREUQCSA-N 310.354 -0.613 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1ccc2nc(O)[nH]c2c1 1134459392 YHNXJEJVNOOKRZ-UHFFFAOYSA-N 316.321 -0.772 30 20 DBED C=C(C)CN[C@H](C)C[C@H](C)NC(=O)CNS(=O)(=O)NC 1135081315 KFFAQEKUEZOKML-MNOVXSKESA-N 306.432 -0.511 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1cc2c([nH]1)CCC2 1147525846 GMPJGPVLMYWQJG-LLVKDONJSA-N 302.378 -0.039 30 20 DBED CNC(=O)CN1CCCO[C@H](CNC(=O)CSCC#N)C1 1149209884 YYNMCRXQJVBNOE-LLVKDONJSA-N 314.411 -0.804 30 20 DBED C=CCCN1CCCO[C@H](CNC(=O)CN2C(=O)CCC2=O)C1 1150684963 DVNPVSZMUHHHJH-CYBMUJFWSA-N 323.393 -0.081 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)[C@@H](C)n1cccn1 1154908452 GDZWPBLTAQYKSK-CHWSQXEVSA-N 305.382 -0.322 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)c2cn(C)cn2)C1=O 1156564927 ZSHVYLYAXALRDE-LBPRGKRZSA-N 305.382 -0.084 30 20 DBED C#CCCCC(=O)NCCCNCC(=O)N[C@H](C)C(=O)N(C)C 1157183057 NAHGIOBRRFFPLD-CYBMUJFWSA-N 324.425 -0.521 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@H]1CCCc2c[nH]nc21 1158095283 ZLSHASKYUSGDKE-ZDUSSCGKSA-N 317.393 -0.325 30 20 DBED C=CCNC(=O)CNCCCNC(=O)c1ccc(=O)n(C)c1 1161730263 UDLKHZRZNUHSIP-UHFFFAOYSA-N 306.366 -0.603 30 20 DBED C#CCN1CCC(CNC(=O)Cc2nc[nH]n2)(COC)CC1 1162576306 CNWPKVGKUDXDMZ-UHFFFAOYSA-N 305.382 -0.175 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)[C@]1(F)CCOC1 1164563671 RDXVMJIIIQZRML-FZMZJTMJSA-N 301.362 -0.098 30 20 DBED C=CCOCCNCCCNC(=O)[C@@H]1CCCS1(=O)=O 1176593037 HVLGVRDIVCAVQY-LBPRGKRZSA-N 304.412 -0.138 30 20 DBED C#CCNC(=O)CN1CCO[C@H]2CCN(C(=O)C3CCC3)C[C@H]21 1176875903 KBYRUIFIWLJZIB-CABCVRRESA-N 319.405 -0.162 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2cnccn2)[C@H]1C 1178042037 QSCGHPJDAFNXRY-RYUDHWBXSA-N 301.350 -0.581 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)c2ccnn2C)[C@H]1C 1178268076 QETGHMRQITUJJJ-RYUDHWBXSA-N 305.382 -0.085 30 20 DBED C=CCNC(=O)NC(=O)CN[C@H]1CCN(C(=O)[C@H](C)C#N)[C@H]1C 1178366656 KXQSSHCUVIBIHS-WOPDTQHZSA-N 321.381 -0.263 30 20 DBED C#CCNC(=O)CNCCCCCCNC(=O)c1[nH]nnc1C 1179198074 BJIQTIZNIAIDKW-UHFFFAOYSA-N 320.397 -0.258 30 20 DBED C[C@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)c1ccn(C)n1 1180138754 NUJPNDWGNCHTJO-QWRGUYRKSA-N 304.354 -0.748 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)CC(=O)NCC2CC2)C1 1186933244 ICFXQQOCUJRQCT-CQSZACIVSA-N 307.394 -0.257 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)C[C@@H]2CCCOC2)C1 1187880293 ZWTSTRNCBJCQES-UONOGXRCSA-N 307.394 -0.257 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2cnccn2)C1 1188685969 WHMTZGOERWZVET-LBPRGKRZSA-N 303.366 -0.075 30 20 DBED C=CCNC(=O)CN1C[C@@H]2CCN(C(=O)CCN(C)C)[C@@H]2C1 1189035407 XPTQDPBYXWPTEX-UONOGXRCSA-N 308.426 -0.227 30 20 DBED COCC#CCN(C)[C@@H]1CCN(C(=O)c2nccnc2N)C1 1189437793 IJUQTTNHWUMVFN-GFCCVEGCSA-N 303.366 -0.145 30 20 DBED C=CCNC(=O)[C@@H](C)N(C)[C@H]1CCN(C(=O)CC(=O)N(C)C)C1 1192757452 BMMPMRVFTJDPPB-OLZOCXBDSA-N 324.425 -0.312 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)CCc2c(C)nc(O)nc2C)C1 1193765943 KHMOLVNTAPJIFG-ZIAGYGMSSA-N 318.377 -0.474 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)C2CCC2)C1 1194023732 NTPOWVGGTNIUTM-IACUBPJLSA-N 307.394 -0.667 30 20 DBED C=C[C@@](C)(CC)C(=O)N[C@@H]1CN(Cc2nc(O)n[nH]2)C[C@H]1O 1195923931 PQTKUEGYQHJGPC-RULNRJAQSA-N 309.370 -0.226 30 20 DBED CCN1CCOC[C@H]1C(=O)N1CCCN(CC#CCOC)CC1 1196366572 MOSGYAJMHCIYGY-INIZCTEOSA-N 323.437 -0.109 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCCN(CC(=O)NC(N)=O)CC1 1198343353 IWUHITDKCLPHPT-NSHDSACASA-N 312.370 -0.693 30 20 DBED CCc1noc(C)c1C(=O)N[C@@H]1CN(CC#CCOC)C[C@H]1O 1198564639 IMIGUBCHSRSSIS-ZIAGYGMSSA-N 321.377 -0.030 30 20 DBED CCNC(=O)NC(=O)CNC1CCN(C(=O)[C@H](C)C#N)CC1 1199826356 JZHHCAIJRMHWGT-SNVBAGLBSA-N 309.370 -0.428 30 20 DBED C=CCOCC(=O)N1CCCO[C@@H](CNCC(=O)N(C)C)C1 1200109438 SVBLWULDNHMIPV-ZDUSSCGKSA-N 313.398 -0.516 30 20 DBED C=CCNC[C@H]1CN(C(=O)Cn2ccc(O)nc2=O)CCCO1 1200903498 ZGNGRVBTAQXHPT-LBPRGKRZSA-N 322.365 -0.658 30 20 DBED C=CCOCCN[C@H]1C[C@H](NC(=O)Cn2cnnn2)C12CCC2 1202382404 FKXBUUPTHNYBOG-STQMWFEESA-N 320.397 -0.107 30 20 DBED C=C(C)CNCC1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 1206420009 HZSPTKFTIZTIMS-LBPRGKRZSA-N 308.382 -0.011 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)C[C@@H]2COC(=O)C2)[C@H](C)C1 1206871115 YSJNUFTWISXFHM-FRRDWIJNSA-N 321.377 -0.875 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(CCNC(=O)C2CC2)C[C@H]1C 1206957912 RGGYOHOIFPZFBF-UKRRQHHQSA-N 321.421 -0.011 30 20 DBED COCC#CCN[C@@H]1CCCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 1209623815 MVUMQCCTINBPLS-HZSPNIEDSA-N 323.393 -0.750 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCCN(C(=O)Cc2ncc[nH]2)C1 1210327341 HTBKQAZOWCQLDF-STQMWFEESA-N 317.393 -0.329 30 20 DBED CC#CCN1C[C@@H](NC(=O)CCN2CCOCC2)[C@H](OC)C1 1213580492 DIPJCNXVQDAIPS-HUUCEWRRSA-N 309.410 -0.453 30 20 DBED NC(=O)CC(=O)N[C@@H]1CN(CC#Cc2ccccc2)C[C@@H]1O 1219402769 HUHWMGXQLMBJNI-KGLIPLIRSA-N 301.346 -0.925 30 20 DBED COCC#CCN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCNC1=O 1227939947 DJTAZLIZXZSRIK-MGPQQGTHSA-N 307.394 -0.211 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)Cc1nnc(C)o1 1234099082 INRVICOJHCFVPM-GFCCVEGCSA-N 319.365 -0.797 30 20 DBED C=C(C)Cn1c(CCO)nnc1N1CCN(CCOC)C(=O)C1 1263299137 UNUJANCLZGLLHC-UHFFFAOYSA-N 323.397 -0.316 30 20 DBED CCC[C@H](C(=O)N1CCC[C@@H]1CNCC#N)S(N)(=O)=O 1319092599 CDXXSPBVFQXSMP-GHMZBOCLSA-N 302.400 -0.452 30 20 DBED C#CCN1CCC(C(=O)NC[C@@H](O)CN2CCCC2=O)CC1 1319573045 MSDNPHQJSFVDCP-CQSZACIVSA-N 307.394 -0.569 30 20 DBED C=CC[C@@H](NS(=O)(=O)CCS(C)(=O)=O)C(=O)OCC 1320436311 HOCMKZVDPPYIAX-SECBINFHSA-N 313.397 -0.542 30 20 DBED C#CCn1ccc(CN(CC)C(=O)CNC(=O)CNC(C)=O)n1 1322311657 DKNJGNWDSAAEAK-UHFFFAOYSA-N 319.365 -0.883 30 20 DBED O=C(CCN/C(O)=C1/N=CC=CC1=O)NCCOC(=O)C1CC1 1323397354 WCIWKQNZZGLMLX-YPKPFQOOSA-N 321.333 -0.028 30 20 DBED CN(C[C@H]1CCC[C@H]1O)C(=O)C(=O)Nc1cnn(CC#N)c1 1324410418 QAGKETMXOCCJJE-ZYHUDNBSSA-N 305.338 -0.035 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CC[C@H](C)[C@@H]2CO)nn1 1325945674 AGLQIUSVSKIXLZ-JQWIXIFHSA-N 307.354 -0.690 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)C(=O)N2CCCN3CCC[C@@H]3C2)C1 1326249091 MOXVNSNRXWTNED-CZUORRHYSA-N 320.393 -0.440 30 20 DBED C#CC1CCN(C(=O)C(=O)N[C@@H]2CCc3nnnn3CC2)CC1 1326923832 RGEITIKMZQEAPG-GFCCVEGCSA-N 316.365 -0.634 30 20 DBED CC#CCCNC(=O)C(=O)NC[C@@H](C(C)C)N1CCOCC1 1327394600 ZCRDRDQQEHKZOU-AWEZNQCLSA-N 309.410 -0.011 30 20 DBED C=CCN1C(=O)C(=O)N(C[C@H]2CCCS(=O)(=O)C2)C1=O 1327854887 LTDFRPKNRRRDPJ-SECBINFHSA-N 300.336 -0.212 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2cnc(C3CC3)[nH]2)CC1 1328010144 NFRHSLRRPFYPAM-UHFFFAOYSA-N 315.377 -0.206 30 20 DBED C[C@H](CNC(=O)C(=O)N1CC[C@](O)(CC#N)C1)CN1CCCC1 1328258053 VPPSNHCQZTVQGA-CZUORRHYSA-N 322.409 -0.288 30 20 DBED C=C(C)CN(C)C(=O)C(=O)NC1CCN(CC(=O)NC)CC1 1328524302 JXPBIXIADNSRQH-UHFFFAOYSA-N 310.398 -0.653 30 20 DBED CC#CC[C@@H](CO)NC(=O)NCCOCCS(C)(=O)=O 1329239831 OEHFVCDLNINXQU-NSHDSACASA-N 306.384 -0.879 30 20 DBED CC(C)N[C@H]1CCCN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)C1 1332371792 IADNJSPUDVMZHU-XJKSGUPXSA-N 322.409 -0.148 30 20 DBED C[C@H](NC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1)[C@H]1CCOC1 1332466332 YSTZVFZAFNBHQY-SGMGOOAPSA-N 320.393 -0.274 30 20 DBED C[C@H](CN1CCCC1=O)NC(=O)C(=O)N1CCC[C@H](C#N)C1 1332658043 SUHXFWMSRQQQQQ-VXGBXAGGSA-N 306.366 -0.124 30 20 DBED C[C@@H](CNC(=O)C(=O)N1CCC[C@@H](C#N)C1)CN1CCOCC1 1332670161 RFVCDHPMLCWWBK-KBPBESRZSA-N 322.409 -0.167 30 20 DBED COCCN1CCN(C(=O)C(=O)N2CCC[C@H](C#N)C2)CC1=O 1334983797 OMBZBPNTYJHZOB-GFCCVEGCSA-N 322.365 -0.934 30 20 DBED C#CCCn1nnnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1335699104 FCMBKMLQKPYIKC-LBPRGKRZSA-N 304.354 -0.476 30 20 DBED CCN1CC[C@H](NC(=O)C(=O)Nc2cccc(C#N)n2)C1=O 1335850373 CLKSYDHCBIAMGR-JTQLQIEISA-N 301.306 -0.371 30 20 DBED C#CCOCCNC(=O)C(=O)NCCc1ccc(O)c(OC)c1 1340351932 LQKHIYUDNHMPLY-UHFFFAOYSA-N 320.345 -0.175 30 20 DBED C#CCNC(=O)[C@@H](C)OC(=O)c1ncsc1S(N)(=O)=O 1342573307 LMTHGOLSUNYTET-ZCFIWIBFSA-N 317.348 -0.915 30 20 DBED C=CCOCCNC(=O)C(=O)NCCN1CCOC(C)(C)C1 1347346256 SCBCWTQFPREGMN-UHFFFAOYSA-N 313.398 -0.468 30 20 DBED C[C@@H](NC(=O)Cn1cc(C#N)c(O)nc1=O)C(=O)NC(C)(C)C 1361972870 FQFAMADHKRDDFL-MRVPVSSYSA-N 321.337 -0.760 30 20 DBED Cc1ccnc([C@@H](C)NC(=O)Cn2cc(C#N)c(O)nc2=O)n1 1362903459 IXQLHFGDLXFXKE-SECBINFHSA-N 314.305 -0.204 30 20 DBED CN(C(=O)c1ccc(C#N)c(O)c1)N1CCS(=O)(=O)CC1 1362916522 JRFOYNMLQTXXRH-UHFFFAOYSA-N 309.347 -0.019 30 20 DBED CCn1ccnc1C(=O)NCCn1cc(C#N)c(O)nc1=O 1363004527 SGMXDBPYFYRROR-UHFFFAOYSA-N 302.294 -0.533 30 20 DBED Cc1nn(C)c(C)c1[C@H](O)CNc1[nH]c(=O)n(C)c(=O)c1C#N 1365250719 SPMBKIPMQUCYDS-SNVBAGLBSA-N 318.337 -0.559 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1C[C@@H](NC(=O)[C@H]2CCCC(=O)N2)C1 1371707708 TVOHZVPHWZIXMF-WISYIIOYSA-N 306.366 -0.174 30 20 DBED C[C@@H](CNCc1nc(=O)n(C)[nH]1)NC(=O)c1cc(C#N)c[nH]1 1374874108 NZJKDIVQHBINLL-QMMMGPOBSA-N 303.326 -0.784 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)C(C)(C)S(C)(=O)=O)C1 1386109956 ZYAGJFXOGGJQAG-UWVGGRQHSA-N 315.395 -0.314 30 20 DBED CN(CCN1CCN(CCO)CC1)C(=O)c1cc(C#N)c[nH]1 1391338248 QDTUAJCDDVAZBK-UHFFFAOYSA-N 305.382 -0.432 30 20 DBED C[C@H](CS(C)(=O)=O)C(=O)NC1(CNC(=O)[C@H](C)C#N)CC1 1410800500 AXMNFNWZSFABFW-NXEZZACHSA-N 315.395 -0.408 30 20 DBED C[C@@H](C#N)C(=O)NC1CC2(CC(NC(=O)CCNC(N)=O)C2)C1 1414527832 YZQQKSPKUBTYBC-YMPWGHJTSA-N 321.381 -0.252 30 20 DBED C[C@H](C#N)C(=O)NC[C@@]1(C)CCN(C(=O)c2cnnn2C)C1 1417365274 LWXGESHZPGRDCS-QMTHXVAHSA-N 304.354 -0.057 30 20 DBED CCN(CCNC(=O)[C@H](C)C#N)C(=O)CCCS(C)(=O)=O 1429679455 FBLIWVPNJOFLRL-LLVKDONJSA-N 317.411 -0.064 30 20 DBED Cc1nc(N2C[C@@H](C(N)=O)[C@@H](C(N)=O)C2)c(Cl)cc1C#N 1434449749 ZXKHTMUMZVKGLD-DTORHVGOSA-N 307.741 -0.062 30 20 DBED CNC(=O)NC(=O)CN1CCC(N(C)C(=O)[C@H](C)C#N)CC1 1440981640 ALJBLFCJULCHNK-SNVBAGLBSA-N 309.370 -0.476 30 20 DBED COCCN(CCNC(=O)[C@@H](C)C#N)C(=O)Cn1nccc1C 1452152871 VBNVYBZESBQGMS-LBPRGKRZSA-N 321.381 -0.058 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@@H](CNC(=O)c2nccnc2N)C1 1452918365 UZLWKKCXGKNPOM-LPEHRKFASA-N 302.338 -0.157 30 20 DBED CN(CCNC(=O)c1cc(C#N)c[nH]1)C(=O)[C@H]1COC(=O)N1 1455192891 NRCPIWZPKPDXFY-SNVBAGLBSA-N 305.294 -0.817 30 20 DBED Cn1c(=O)[nH]c(N2CCC(O[C@@H]3CCOC3)CC2)c(C#N)c1=O 1472803067 UFKCFZGMBSKVOY-LLVKDONJSA-N 320.349 -0.280 30 20 DBED CN(CCN(C)C(=O)c1cc(C#N)c[nH]1)Cc1nnn(C)n1 1482588955 USUIDXJELLUDTC-UHFFFAOYSA-N 302.342 -0.386 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1C[C@@H](NC(=O)c2ccc(=O)n(C)n2)C1 1489846003 MXDXPEGEPMEDRU-GARJFASQSA-N 317.349 -0.435 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1cc(C2CC2)nn1C 1501547105 UHPTXOOABRCICX-KOLCDFICSA-N 319.365 -0.336 30 20 DBED C=C(C)Cn1c(N2CCNC(=O)C2)nnc1[C@@]1(C)CNC(=O)C1 1524379970 NPQKZPIBQUPAFL-OAHLLOKOSA-N 318.381 -0.432 30 20 DBED C=C(Cl)C(C)(C)C(=O)N[C@@H](CO)CNC(=O)CNC(=O)O 1573338561 DUPFVYVFTKQNJY-MRVPVSSYSA-N 321.761 -0.374 30 20 DBED CNS(=O)(=O)C1CCN(C(=O)[C@@H](N)CCCCC#N)CC1 1578745075 RJPIVSCATKROQB-LBPRGKRZSA-N 316.427 -0.062 30 20 DBED CN(CC(=O)NC(C)(C)C)c1cnc(C#N)c(-c2nn[nH]n2)n1 1579005943 IMBSAEYAQNHWPY-UHFFFAOYSA-N 315.341 -0.121 30 20 DBED C#CCCN1CCN(CCN(C)C(=O)[C@@H]2C[C@H]2C(=O)O)CC1 1588453810 VDYBZEONSNSXDC-ZIAGYGMSSA-N 307.394 -0.194 30 20 DBED C=CCN1CCC(NC(=O)C(=O)N[C@H]2C[C@H](C(=O)O)C2)CC1 1602897691 CTQLMQLDKFPSKP-UMSPYCQHSA-N 309.366 -0.268 30 20 DBED N#Cc1cn(CC(=O)O)c(=O)n(CC(=O)c2cccs2)c1=O 1605623119 VRHPOODBUHJGGX-UHFFFAOYSA-N 319.298 -0.089 30 20 DBED N#Cc1nc(NC(=O)[C@@H](O)c2ccccn2)[nH]c1-c1nn[nH]n1 1606354415 GXIGZXVZTNCVKG-VIFPVBQESA-N 311.265 -0.471 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(C(=O)C[C@H]2CCOC2)C[C@@H]1O 1702352420 DDDLBWNFXAVOCC-MCIONIFRSA-N 324.377 -0.859 30 20 DBED C#CCNC(=O)CN[C@@H](C)CCNC(=O)c1cc(OC)no1 1731725556 QMDKAXGYCKKXAE-JTQLQIEISA-N 308.338 -0.469 30 20 DBED CN1CCC[C@@H]1C(=O)NC1CCC(NCC(=O)NCC#N)CC1 1752847940 FVHFRHHMQGOENI-JXQTWKCFSA-N 321.425 -0.263 30 20 DBED C[C@@H](CNC(=O)Cn1cc(Cl)cn1)NCC(=O)NCC#N 1752906255 IVFPRHPFIBZHHW-VIFPVBQESA-N 312.761 -0.729 30 20 DBED C#CCNC(=O)CN(CCNC(=O)c1cncn1C)C1CC1 1753157796 YBGOFOHNORBGBL-UHFFFAOYSA-N 303.366 -0.636 30 20 DBED CC#CCN1CCN(CCN(C)C(=O)[C@H]2CCNC(=O)C2)CC1 1753342553 VICPSJMTVMWHDK-HNNXBMFYSA-N 320.437 -0.388 30 20 DBED C#CCNC(=O)[C@H](C)N1CC(CNC(=O)[C@@]2(F)CCOC2)C1 1753410189 AXIYZCYBYQCNGC-XHDPSFHLSA-N 311.357 -0.699 30 20 DBED N#CCNC(=O)CN1CCO[C@H](CNC(=O)[C@@H]2C[C@@H]3C[C@@H]3C2)C1 1753652637 LBYKGFBGYAUZHL-ZOBORPQBSA-N 320.393 -0.511 30 20 DBED C=CCNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)c1cccc(C)n1 1753904726 ACYAJHUGAUGDED-OLZOCXBDSA-N 320.393 -0.239 30 20 DBED C=CCNC(=O)CNC[C@@H](O)CNC(=O)c1scnc1C 1753906292 UCDGWVKZPCLACB-SNVBAGLBSA-N 312.395 -0.566 30 20 DBED C#CCNC(=O)CN1C[C@H]2C[C@H]1[C@H]2NC(=O)Cn1cc(C)cn1 1754420620 NPZRMVDJAJYLMV-WWGRRREGSA-N 315.377 -0.870 30 20 DBED COCC(C)(C)CC(=O)N(C)C1CN(CC(=O)NCC#N)C1 1754579643 XSHPTXFOLUXTAW-UHFFFAOYSA-N 310.398 -0.169 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@]1(O)CCN(CCF)C1 1754760977 WRTRDFNAEXVAJS-DZGCQCFKSA-N 315.389 -0.020 30 20 DBED C#CCCNC1CCN(CCNC(=O)[C@@H]2CCCNC2=O)CC1 1754849262 MXDZTZLZEAFWBS-OAHLLOKOSA-N 320.437 -0.294 30 20 DBED C#CCN1CCOC2(CCN(C(=O)CNC(=O)C3CC3)CC2)C1 1755174685 SSRHOGGPDRTEGK-UHFFFAOYSA-N 319.405 -0.161 30 20 DBED C[C@H](NCC#N)[C@H]1CN(C(=O)c2cnc3[nH]nnc3c2)CCO1 1755441484 GONSFTDAWUCFIS-JOYOIKCWSA-N 315.337 -0.304 30 20 DBED C#Cc1ccccc1CC(=O)NC[C@@H](CO)NCC#CCOC 1755644993 JAAPZGGKDKXBLR-KRWDZBQOSA-N 314.385 -0.073 30 20 DBED C#CCNC(=O)CN[C@H]1CN(C(=O)[C@@H](OC)C2CC2)CC1(C)C 1755754924 DMOTXTZLXCFSMA-ZFWWWQNUSA-N 321.421 -0.013 30 20 DBED COCC#CCNC[C@@H](O)CN(C)C(=O)c1ncccc1O 1755777617 LBCUZZQYOTUTNN-GFCCVEGCSA-N 307.350 -0.541 30 20 DBED C=CCC(C)(C)C(=O)N[C@H](CO)CNC(=O)[C@H]1COCCO1 1756503951 SGDRGIHOYHMCPJ-NWDGAFQWSA-N 314.382 -0.403 30 20 DBED C[C@@H](C(=O)NC[C@@H](CO)NC(=O)CSCC#N)n1cccc1 1756513082 AFJLMXXNLDNLED-RYUDHWBXSA-N 324.406 -0.101 30 20 DBED CO[C@@H]1C[C@@H](C(=O)O)CN(S(=O)(=O)N(C)[C@@H](C)CC#N)C1 1777159213 MZUKNLGAVPXMTL-HBNTYKKESA-N 319.383 -0.113 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1c(C)noc1N)CCO2 1783049680 LCYFLKIGYQTUHR-HNNXBMFYSA-N 318.333 -0.358 30 20 DBED CC1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CC#N)C[C@@H]32)COC1 1783665433 AWCAKBXMBXLROW-AVGNSLFASA-N 321.377 -0.084 30 20 DBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@H]3F)C2)C1 1839809645 DXAFZHYHWVPXPJ-YWPYICTPSA-N 310.325 -0.566 30 20 DBED Cc1cc(C(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)n[nH]1 1844769867 GVUSKSYMRWDLRY-UHFFFAOYSA-N 316.317 -0.377 30 20 DBED C#Cc1cccc(NC(=O)CNC(=O)[C@H](C)NS(C)(=O)=O)c1 54098944 FSXDISXSRPVNTK-JTQLQIEISA-N 323.374 -0.340 30 20 DBED N#Cc1cc(CN2CCN3C(=O)C(=O)NC[C@H]3C2)ccc1F 152658741 IBVZHKJDWUGRAS-LBPRGKRZSA-N 302.309 -0.160 30 20 DBED C[C@@H](C#N)CNC(=O)Cn1cc(Br)c(=O)[nH]c1=O 171841955 NQIQOSSXWOGVET-LURJTMIESA-N 315.127 -0.425 30 20 DBED C=CCNC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 265037055 LLEZUAYETAYYGW-JTQLQIEISA-N 323.374 -0.011 30 20 DBED N#CCCCS(=O)(=O)N1CC[C@H](C(=O)O)[C@@H](C(=O)O)C1 275105188 MEEHONKIJPSPFQ-IUCAKERBSA-N 304.324 -0.273 30 20 DBED C#CCOc1ccccc1NC(=O)C(=O)N1C[C@H](O)[C@H](O)C1 277588906 SFUWKQOGDCTKCN-TXEJJXNPSA-N 304.302 -0.799 30 20 DBED C=CCN1CC[C@H](Nc2cnn(CC(=O)NCCOC)c2)C1=O 281161492 KNNQZLCGUSOJEF-ZDUSSCGKSA-N 321.381 -0.156 30 20 DBED CCn1cc(C#N)c(=O)n(CC(=O)C(C)(C)C(=O)OC)c1=O 285224894 QGVYBGRGMRTVBT-UHFFFAOYSA-N 307.306 -0.330 30 20 DBED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NCC(=O)N(C)CC 288660413 AOCABGZBMFXRGN-WCQYABFASA-N 311.382 -0.322 30 20 DBED C[C@H](C/N=C(/O)N1CCS(=O)(=O)CC1)CN1CCOCC1 329693845 FHTBVHYMWVNQTG-GFCCVEGCSA-N 319.427 -0.401 30 20 DBED COC(=O)[C@H]1CC[C@@H](N/C(O)=N/CCNS(C)(=O)=O)C1 331202216 BGNOEVIODMTDBN-DTWKUNHWSA-N 307.372 -0.619 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N(C[C@@H]2CCOC2)C2CC2)CCO1 336901718 CAJBXSYTEHQSOR-WCQYABFASA-N 315.395 -0.044 30 20 DBED CCC(CC)[C@H](O)CNS(=O)(=O)N1CCO[C@@H](C#N)C1 337090665 JZJZXJSUYKAWLL-NWDGAFQWSA-N 305.400 -0.158 30 20 DBED C[C@@H](CN1CCCCC1)NS(=O)(=O)N1CCO[C@@H](C#N)C1 337175973 IZIIRUVZSCWRLG-STQMWFEESA-N 316.427 -0.080 30 20 DBED CCOC(=O)c1cnc(C)c(C(=O)NCC(=O)NCC#N)c1 343541447 GTZZXZUPAHHVNC-UHFFFAOYSA-N 304.306 -0.064 30 20 DBED N#CCCCNC(=O)NCCNS(=O)(=O)c1cccnc1 344008147 IYCLODJDLDQCLH-UHFFFAOYSA-N 311.367 -0.037 30 20 DBED COc1ccc(C(=O)NCC(=O)NCC#N)cc1-n1cnnn1 344188171 XHGSTVFAJRSUFA-UHFFFAOYSA-N 315.293 -0.960 30 20 DBED CC(=O)N[C@@H](CC(=O)N[C@@H](C#N)c1ccccc1F)C(N)=O 345973150 WISTZPMCMSVPCY-RYUDHWBXSA-N 306.297 -0.113 30 20 DBED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc2nccnc2c1 347237648 VNKSAFOCCPCQNM-UHFFFAOYSA-N 313.317 -0.013 30 20 DBED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2C[C@@H](F)C[C@H]2CO)n1 356087574 KTSGGJOISADTMS-QWRGUYRKSA-N 323.328 0.205 30 20 DBED C=CCOC[C@H](NC(=O)c1c([N+](=O)[O-])cnn1C)C(=O)OC 360724573 CRAKRHMYBIGCDH-QMMMGPOBSA-N 312.282 -0.198 30 20 DBED CNC(=O)[C@H]1CN(S(=O)(=O)c2ccc(C#N)s2)CCO1 367098441 GOHFLNGYSBZBRS-SECBINFHSA-N 315.376 -0.245 30 20 DBED COc1cccc2c1OC[C@@H](NC(=O)NCC(=O)NCC#N)C2 377020143 ONAOAPOLDJOAIG-NSHDSACASA-N 318.333 -0.062 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N[C@@H]2CCC[C@H]2CN)nn1 424541114 HEERQUFCKWSHDE-CMPLNLGQSA-N 306.370 -0.676 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N[C@@H]2CCC[C@@H](N)C2)nn1 424544405 KSEUSKZZSIKVSR-GHMZBOCLSA-N 306.370 -0.534 30 20 DBED N#CCCn1ccc(NC(=O)C(=O)NCC2(O)CCCCC2)n1 444570514 NMTAAZMKSJKPES-UHFFFAOYSA-N 319.365 0.547 30 20 DBED COCCN(CCC#N)S(=O)(=O)NC[C@@H](O)C1CCC1 452040369 AIHAGNOZYWVHAD-GFCCVEGCSA-N 305.400 -0.156 30 20 DBED C#CCN1CCN(C(=O)CN(C)CCN2CCCC2=O)CC1 490759902 HPDDNMNJSYURAH-UHFFFAOYSA-N 306.410 -0.682 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H]([C@H](C)O)C2)C1=O 532628124 ZSXJXIRZIHKFGX-WDEREUQCSA-N 323.349 -0.417 30 20 DBED COC(=O)CNC(=O)CNC(=O)COc1ccccc1C#N 539922969 DQSDXABTHFWKGP-UHFFFAOYSA-N 305.290 -0.658 30 20 DBED CC(=O)N1CCN(C(=O)Cn2cc(C)cc(C#N)c2=O)CC1 584593548 DEZMHPPDCOAIJD-UHFFFAOYSA-N 302.334 -0.281 30 20 DBED CCOC(=O)Cn1cnc(NC(=O)N2CCO[C@@H](C#N)C2)n1 591871431 QASVRLNBSWFENN-VIFPVBQESA-N 308.298 -0.403 30 20 DBED CN1C(=O)N[C@]2(CCC[C@H]2CNc2cc(C#N)cnn2)C1=O 596149081 IPVVFBGKHVNHRC-HZMBPMFUSA-N 300.322 0.481 30 20 DBED COCCN(C)CCN1C[C@H](Nc2cc(C#N)cnn2)CC1=O 601178315 PDEVDBFWPFNTHB-CYBMUJFWSA-N 318.381 -0.061 30 20 DBED CN[C@H]1CCCN(C(=O)C(=O)N2CCN(CCC#N)CC2)C1 601592187 IVHBVDLQIOZOBM-ZDUSSCGKSA-N 307.398 -0.745 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCC[C@H](C)N(C)C)C1=O 617750326 BGKSXHIVLLHNEJ-JTQLQIEISA-N 310.354 -0.580 30 20 DBED C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[C@@H]2CCN[C@H]2C1 644225723 SATDLDMKBFQNTG-XUXIUFHCSA-N 307.394 -0.096 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)c2cn(CC=C)nn2)CC1 648721333 KVPKDMURXVEJRB-UHFFFAOYSA-N 318.381 -0.476 30 20 DBED C=CCn1cc(C(=O)N2CCC[C@H](S(=O)(=O)NC)C2)nn1 648784498 SPSMRZOYJIZRAW-JTQLQIEISA-N 313.383 -0.382 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2ccnc(C)n2)CC1 728531802 QKIJHVVSHCWGOS-UHFFFAOYSA-N 301.350 -0.708 30 20 DBED N#CCNC(=O)COC(=O)CCNC(=O)Cc1ccccc1 731237531 KIOMKXJDTHHOQV-UHFFFAOYSA-N 303.318 -0.082 30 20 DBED C=CCOCC(=O)NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 735438084 WXNCCHLZKPOFOV-UHFFFAOYSA-N 323.334 -0.126 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)[C@H]1CCCCN1S(C)(=O)=O 744775529 VTPKOJDLODIDHH-WDEREUQCSA-N 316.379 -0.518 30 20 DBED CS(=O)(=O)CC(=O)NS(=O)(=O)Cc1cccc(C#N)c1 750416972 RLZYMNXHBSKUIT-UHFFFAOYSA-N 316.360 -0.451 30 20 DBED C#CCOCCC(=O)NCCNS(=O)(=O)c1cccnc1 756016624 UUMJGUQIOMOYAG-UHFFFAOYSA-N 311.363 -0.484 30 20 DBED C#C[C@@H](NC(=O)N1CCN(CCOC)C(=O)C1)[C@@H]1CCCO1 773550504 WNBDKDZFWCBTEC-OLZOCXBDSA-N 309.366 -0.333 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)CNC(=O)OCC 785675109 XIYINHLNQFVKMP-QMMMGPOBSA-N 301.299 -0.324 30 20 DBED C#CCC[C@H](O)CNS(=O)(=O)c1cc(C(=O)OC)n(C)c1 798488131 HPFYFIWQBCFJAZ-JTQLQIEISA-N 314.363 -0.136 30 20 DBED C#CC[C@@H](CO)NC(=O)CCNS(=O)(=O)c1ccccc1 816669965 IHUCAYKXIHWIHF-LBPRGKRZSA-N 310.375 -0.145 30 20 DBED Cc1cn2c(=O)c(C(=O)N[C@H]3CNC[C@@H]3C#N)cnc2s1 834484014 CJBCQQLLMMIJEC-WPRPVWTQSA-N 303.347 -0.094 30 20 DBED N#C[C@H]1CNC[C@@H]1NC(=O)CNC(=O)COc1ccccc1 834516888 NEFIZLZEGNEKGR-AAEUAGOBSA-N 302.334 -0.591 30 20 DBED C#CCO[C@H](C)C(=O)OCC(=O)N(CC)CC(=O)NC(C)C 837849805 ZBKDZNZWDLOOMD-GFCCVEGCSA-N 312.366 -0.059 30 20 DBED C=CCCO[C@@H](C)C(=O)NS(=O)(=O)c1cc(C(N)=O)no1 847996068 JHTPQFXCUWTBOG-ZETCQYMHSA-N 317.323 -0.440 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N1CC[C@@H](NC(C)=O)C1 850711134 CHVQXDSQLUXUDM-CYBMUJFWSA-N 309.366 -0.778 30 20 DBED C=C(CNC(=O)C1=COCCO1)CNC(=O)C1=COCCO1 856339101 PFLUYNUODPVDSG-UHFFFAOYSA-N 310.306 -0.449 30 20 DBED CN1C(=O)CN(CC(=O)NCCNc2ccc(C#N)cn2)C1=O 858401932 ROMPVEFPMQGNMH-UHFFFAOYSA-N 316.321 -0.625 30 20 DBED C#CCN(CC(=O)NC1CCN(S(C)(=O)=O)CC1)C1CC1 878434762 RXIWUFPAQLNSPI-UHFFFAOYSA-N 313.423 -0.376 30 20 DBED C#CC1(O)CN(C(=O)c2ccc(S(=O)(=O)CCOC)cc2)C1 890521423 DRVPBXSHGPMUAN-UHFFFAOYSA-N 323.370 -0.073 30 20 DBED C=CCN(C(=O)[C@@H]1OCCN(C)C1=O)[C@H]1CCS(=O)(=O)C1 900310976 VYNPAISVKZYAEU-WDEREUQCSA-N 316.379 -0.955 30 20 DBED C=CCn1nnn(CN2CC[C@H](CS(N)(=O)=O)C2)c1=S 902522372 BWXJFOVFNITQTL-VIFPVBQESA-N 318.428 -0.437 30 20 DBED O=C(NC[C@@H]1CN(C(=O)C#CC2CC2)CCO1)c1cnccn1 944460697 MFXJDHZBTGNGQJ-CYBMUJFWSA-N 314.345 -0.153 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)[C@@H](C)C1 944809639 FMYCOLLAENXHRR-QWHCGFSZSA-N 320.393 -0.270 30 20 DBED C[C@@H]1C[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)CCN1CC#N 947371309 YPJZCZGPZXCIRZ-VXGBXAGGSA-N 319.365 -0.960 30 20 DBED C#CCN1CCC[C@@H](N(C)C(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 948775749 PZUCOIBIHWUBSC-HZSPNIEDSA-N 307.394 -0.035 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CN(C(=O)CC(N)=O)C1 954392465 QRBOZNOEVJPXMV-FZMZJTMJSA-N 309.366 -0.488 30 20 DBED C#Cc1ccc(C(=O)N(C)C2CN(C(=O)c3ncn(C)n3)C2)cn1 954915929 APZLEDHSDIIPGK-UHFFFAOYSA-N 324.344 -0.212 30 20 DBED N#Cc1cc(C(=O)NC[C@H]2CN(Cc3cnon3)C[C@@H]2O)c[nH]1 957980579 WOHDVVNSQAUBNO-GWCFXTLKSA-N 316.321 -0.508 30 20 DBED N#Cc1ccccc1CN1C[C@H]2C(NC(=O)Cn3cnnn3)[C@@H]2C1 958180780 CUSAWGWNORDHQN-ZIAGYGMSSA-N 323.360 -0.209 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](NC(=O)CN2CCCNC2=O)[C@H](C)C1 958369124 YROYWZJJQFXIMA-QJPTWQEYSA-N 321.381 -0.476 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2cc3c(nc2O)CCC3)C1 958668605 YXEKTEYXLFWLOC-IUODEOHRSA-N 315.373 -0.068 30 20 DBED C#CCNC1CCC(N(C)C(=O)Cn2nc(C)n(C)c2=O)CC1 964306754 FJCAKXKQLIYVJE-UHFFFAOYSA-N 319.409 -0.117 30 20 DBED CN1CC(=O)N(CC(=O)N(C)C2CCC(NCC#N)CC2)C1=O 964344191 IARPUKHFLZKTQD-UHFFFAOYSA-N 321.381 -0.237 30 20 DBED N#CCN1CCO[C@@]2(CCN(C(=O)c3cc4n(n3)CCO4)C2)C1 972413527 LINBOQHWGJRFLO-HNNXBMFYSA-N 317.349 -0.284 30 20 DBED CN1CC[C@H](C(=O)N2CC[C@@]3(CN(CC#N)CCO3)C2)CC1=O 972440033 YMUQVWOYGADBFA-XJKSGUPXSA-N 320.393 -0.318 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3COC(=O)N3)C2)c1 973995077 OGTOPHXTSKSFAS-WCABBAIRSA-N 317.305 -0.628 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H](CNC(=O)c2c[nH]c(=O)cn2)C1 975494460 DCMCNOJLZZEGIB-QWRGUYRKSA-N 317.349 -0.102 30 20 DBED CC(=O)N1CC[C@H](C(=O)N[C@H]2[C@@H]3CN(C(=O)[C@@H](C)C#N)C[C@@H]32)C1 976975411 INSFWAMBEAFTKD-DDNRWTCHSA-N 318.377 -0.413 30 20 DBED CC(=O)N1CCO[C@H](C(=O)N[C@@H]2CN(CC#N)CC2(C)C)C1 977538333 FWCSTSJTOFCJJT-QWHCGFSZSA-N 308.382 -0.416 30 20 DBED C#CCN1C[C@H]2[C@H](CNC(=O)c3ccnc4c3nnn4C)[C@H]2C1 978640288 KXOOIFMCLWHSRD-XYYAHUGASA-N 310.361 -0.096 30 20 DBED O=C(N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1n1ccnn1)C(F)F 990789999 USXLXGLAEITWMZ-MNOVXSKESA-N 323.303 -0.175 30 20 DBED C=CCN1CC[C@@]2(NC(=O)Cn3ncn(C)c3=O)CCC[C@H]12 991477158 XBZZXTPXFWUWEB-WFASDCNBSA-N 305.382 -0.119 30 20 DBED C=CCn1cc(C(=O)NC2CN(C(=O)[C@@H]3CO[C@@H](C)C3)C2)nn1 991677583 RJSHDKDFPSJNSQ-QWRGUYRKSA-N 319.365 -0.170 30 20 DBED C#Cc1ccccc1CC(=O)N1CC(NC(=O)Cn2ncnn2)C1 991870186 WUYJGDWWDLHJHZ-UHFFFAOYSA-N 324.344 -0.776 30 20 DBED O=C(NC1CN(C(=O)C#CC2CC2)C1)[C@H]1CN2CCC[C@H]2CO1 993579827 NNGLOONWJKPKOT-LSDHHAIUSA-N 317.389 -0.410 30 20 DBED C[C@]1(C(=O)NC2CN(C(=O)c3c[nH]c(C#N)c3)C2)CNC(=O)C1 996262590 YIJNJLHBXKVGTN-OAHLLOKOSA-N 315.333 -0.647 30 20 DBED CN(C(=O)c1cc(C#N)c[nH]1)C1CC(N[C@H]2CCNC2=O)C1 998605014 SUUBDHIGZPEJQF-MCIGGMRASA-N 301.350 -0.033 30 20 DBED C[C@H](C#N)C(=O)N1CC(CNC(=O)c2ccc(N(C)C)nn2)C1 1003340001 FBXSFIPVLYZOPU-SNVBAGLBSA-N 316.365 -0.110 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@]2(CN(C(C)=O)CCO2)C1 1007672495 DKNSJBUEJOHMBO-RDJZCZTQSA-N 319.405 -0.066 30 20 DBED CC(=O)N1CC(C(=O)N[C@H]2C[C@@H](C)N(C(=O)C#CC3CC3)C2)C1 1012582521 ROCSPBLSYNWAMJ-ABAIWWIYSA-N 317.389 -0.016 30 20 DBED C=CCN1CC[C@H](N2CC[C@@H](NC(=O)Cc3ncc[nH]3)C2)C1=O 1015905707 RMUBNHPJNSDCIC-OLZOCXBDSA-N 317.393 -0.070 30 20 DBED O=C1NC[C@H](C(=O)N2CCC3(CN(C(=O)C#CC4CC4)C3)C2)N1 1019010342 NPMABDOAWCWPOR-GFCCVEGCSA-N 316.361 -0.858 30 20 DBED C[C@@H](C(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O)n1cccn1 1023104563 ASTJSVLYDMSLBD-IACUBPJLSA-N 316.361 -0.455 30 20 DBED C=CCN1CC[C@@H](N2C[C@H]3[C@H](NC(=O)[C@H]4CCOC4)[C@H]3C2)C1=O 1025701136 OYBRWEKVYHXVPG-VQJWOFKYSA-N 319.405 -0.144 30 20 DBED C=C(C)CN[C@@H]1CC[C@@H]2CN(C(=O)CN3C(=O)CNC3=O)C[C@H]21 1026415375 GGXOWHQCBLPMFN-JHJVBQTASA-N 320.393 -0.059 30 20 DBED Cn1nnc(C(=O)NC2CN(Cc3ccc(C#N)c(F)c3)C2)n1 1030804255 RUIYFMZXDGRZJT-UHFFFAOYSA-N 315.312 -0.165 30 20 DBED C=CCN[C@H]1CC[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)CC1 1034798165 ZADMBPYSKXLARZ-IJLUTSLNSA-N 301.412 -0.119 30 20 DBED N#CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)c1ccccc1OCC(N)=O 1037503510 SHNIDLSJLLOETL-GMXABZIVSA-N 314.345 -0.123 30 20 DBED C#CCOCCC(=O)NC[C@]1(O)CCN(C(=O)C#CC2CC2)C1 1039719153 OWGNTIAUNGHFPN-QGZVFWFLSA-N 318.373 -0.481 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@]1(O)CCN(C(=O)C(F)F)C1 1039722200 SYUIDGNMGHHMAT-NOZJJQNGSA-N 304.293 -0.631 30 20 DBED C=C(C)CCC(=O)NC[C@@]1(O)CCN(C(=O)Cn2nccn2)C1 1039987809 YKHKCJKQMQJYHH-HNNXBMFYSA-N 321.381 -0.286 30 20 DBED C#CCCCCC(=O)N1CC[C@@](O)(CNC(=O)c2cnon2)C1 1040666573 XZELWQMJKBPUHW-OAHLLOKOSA-N 320.349 -0.044 30 20 DBED C#CCN1CCC2(CC1)CCN(C(=O)Cn1cnnc1O)C2 1040678581 RYAZBSBILOAVRP-UHFFFAOYSA-N 303.366 -0.069 30 20 DBED Cn1ncc(C(=O)N[C@@H]2CN(c3ccc(C#N)nc3)C[C@H]2O)n1 1041095357 UCBDJILWTJOHTI-CHWSQXEVSA-N 313.321 -0.939 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC(O)(CNC(=O)C3CCC3)C2)c1 1041100639 RJKKNPNUHKDFDQ-UHFFFAOYSA-N 302.334 -0.010 30 20 DBED C=CCCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2ccon2)C1 1041874745 WCDUIRYWVWXOPF-NSHDSACASA-N 323.349 -0.041 30 20 DBED C=CCN1CC[C@@H]2CCN(C(=O)Cn3cnc(C(N)=O)n3)C[C@H]21 1042066633 HSOFNDFVVSFDHE-VXGBXAGGSA-N 318.381 -0.514 30 20 DBED CC(C)(C)C#CC(=O)N1CC(O)(CNC(=O)Cc2ccon2)C1 1042209291 BDAOXYOLPNOHEV-UHFFFAOYSA-N 319.361 -0.044 30 20 DBED CO[C@H](C)CC(=O)N1CC(O)(CNC(=O)c2cc(C#N)c[nH]2)C1 1042401499 NOQCMAVKQDLOOB-SNVBAGLBSA-N 320.349 -0.386 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)[C@H]2C[C@@H](C)CO2)C1 1042799946 YGQLIVOJVBHRKZ-CHWSQXEVSA-N 308.378 -0.096 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(O)CN(C(=O)[C@H](C)OCC)C1 1042806369 GBCNHLSTCJUKNH-FZMZJTMJSA-N 314.382 -0.572 30 20 DBED CC(C)(C)C#CC(=O)NCC1(O)CN(C(=O)Cc2cc[nH]n2)C1 1042966473 YIFZBRSNHKAMCG-UHFFFAOYSA-N 318.377 -0.309 30 20 DBED CC(C)(C)C#CC(=O)NCC1(O)CN(C(=O)Cn2cncn2)C1 1042970583 QFNHOJLFJIIHDM-UHFFFAOYSA-N 319.365 -0.983 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)C2(CF)CC2)C1 1043039181 ABTHHEBRLVZCFO-LLVKDONJSA-N 312.341 -0.536 30 20 DBED C=C(C)CCC(=O)N1CC(O)(CNC(=O)[C@H]2CCN(C)C2)C1 1043115348 HMPOEUCKGNLGGP-ZDUSSCGKSA-N 309.410 -0.016 30 20 DBED C=CCCOCC(=O)NCC1(O)CN(C(=O)[C@H](CC)OC)C1 1043563573 BAWBKILEYYRFKA-LBPRGKRZSA-N 314.382 -0.306 30 20 DBED N#Cc1cnc(N2C[C@H](O)[C@H](NC(=O)[C@H]3CCOC3)C2)cn1 1043866344 HJZLSDXVFJLMRE-WCQGTBRESA-N 303.322 -0.950 30 20 DBED Cc1cc(C(=O)N[C@@H]2CN(c3ccc(C#N)nc3)C[C@@H]2O)n[nH]1 1043869344 OBBTWHUAHODHPB-KGLIPLIRSA-N 312.333 -0.036 30 20 DBED CN1CCC[C@@H]1C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1043874352 HYHFKBXFDVWASR-UTUOFQBUSA-N 316.365 -0.892 30 20 DBED Cc1cc[nH]c1C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1043926068 YCNFNUFRZPCLBY-MNOVXSKESA-N 312.333 -0.036 30 20 DBED Cn1cncc1C(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@@H]1O 1044289463 WKBHWUVHRNYVCV-YPMHNXCESA-N 312.333 -0.334 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)[C@@H]2CC[C@H]2C(N)=O)C1 1044464549 QAFPRLZATCFOGU-GHMZBOCLSA-N 323.393 -0.600 30 20 DBED CC#CCN1CC[C@H](N2CCN(C(=O)c3ncn(C)n3)CC2)C1 1046026590 ZZBWRLRYSPWZEW-AWEZNQCLSA-N 316.409 -0.330 30 20 DBED C#CCCCCC(=O)N1CC(O)(CNC(=O)Cc2cnc[nH]2)C1 1047171196 GEXFIXFCESXQJF-UHFFFAOYSA-N 318.377 -0.165 30 20 DBED Cc1ccc(=O)n(CC(=O)N2C[C@@H]3CN(CC#N)C[C@@H]3C2)n1 1049182248 HSFHRBAEOVIMMA-BETUJISGSA-N 301.350 -0.535 30 20 DBED Cc1cnc(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)C#N)C2)cn1 1049388752 QCVDBTQNXDQAOT-XDTLVQLUSA-N 317.349 -0.412 30 20 DBED C=CCOCC(=O)N1CC[C@@H]([C@@H](C)NC(=O)c2cnn[nH]2)C1 1050303011 GGZQWPYJVMEAFN-GHMZBOCLSA-N 307.354 -0.026 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)c1nc2ncccn2n1 1051172165 FMXMSEUKTYWAEP-NSHDSACASA-N 300.322 -0.812 30 20 DBED Cn1ccc(CC(=O)N2CC[C@@H](N3CCN(CC#N)CC3)C2)n1 1052027486 GNXYHTXPYLFTKW-OAHLLOKOSA-N 316.409 -0.295 30 20 DBED CN1C(=O)CN(CC(=O)N[C@H]2CCCN(CC#N)CC2)C1=O 1052863859 VBXWBTMGAQFMEH-NSHDSACASA-N 307.354 -0.625 30 20 DBED Cc1noc(CN2CC3(C2)CN(C(=O)[C@@H](C)C#N)CCO3)n1 1053193281 KQHAXXXKWNIWLV-JTQLQIEISA-N 305.338 -0.049 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)[C@H]1CCC(=O)N(C)C1)CCO2 1053542354 FUNJTFMCDCCTSO-AWEZNQCLSA-N 319.405 -0.209 30 20 DBED C=CCCN1CC2(CC[C@@H](CNC(=O)[C@H]3CNC(=O)N3)O2)C1 1053655354 JUGSLIGUVYFPLL-NWDGAFQWSA-N 308.382 -0.407 30 20 DBED C[C@@H](O)CN1CC2(C[C@@H](NC(=O)c3ccc(C#N)[nH]3)CO2)C1 1053781467 KURKMNIMOZCPID-ZYHUDNBSSA-N 304.350 -0.160 30 20 DBED CC(=O)N[C@H](C)C(=O)N1C[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2C1 1055150009 CPWWOKULACICEX-DFBGVHRSSA-N 317.389 -0.159 30 20 DBED CC(C)[C@@H](O)C(=O)NC1CCN(CCNC(=O)[C@H](C)C#N)CC1 1055629879 MXCNJVUSGGQHDL-TZMCWYRMSA-N 324.425 -0.140 30 20 DBED N#Cc1nccc(N2CCN(C(=O)C[C@H]3CCNC3=O)CC2)n1 1055924651 SLTCCSBTYJUMTB-LLVKDONJSA-N 314.349 -0.477 30 20 DBED N#Cc1cnc(N2CCN(C(=O)[C@@H]3CC[C@@H]3C(N)=O)CC2)cn1 1055969982 FAIIDNZOSRRONA-NWDGAFQWSA-N 314.349 -0.492 30 20 DBED N#Cc1ccc(C(=O)NCCN(CCO)C(=O)[C@H]2CCCO2)[nH]1 1056892784 JDGGWIAEQNBFCB-CYBMUJFWSA-N 320.349 -0.384 30 20 DBED CCOCCC(=O)NCCN(CCO)C(=O)CSCC#N 1057026506 BAKIZOJIKHVCQR-UHFFFAOYSA-N 317.411 -0.393 30 20 DBED CS(=O)(=O)CC(=O)N1CCC[C@@H](Nc2cnc(C#N)cn2)C1 1057576631 FIKYHSQGUDXELR-SNVBAGLBSA-N 323.378 -0.204 30 20 DBED C#CCOCCC(=O)N(CCO)CCNC(=O)COCCC 1057580274 BIQXBPYCSIPYNP-UHFFFAOYSA-N 314.382 -0.610 30 20 DBED Cn1nnc(C(=O)N[C@@H]2CCCN(c3ccc(C#N)nn3)C2)n1 1058219491 VFAPTPVVUFUNKO-SNVBAGLBSA-N 313.325 -0.729 30 20 DBED C[C@@]1(C(=O)N[C@@H]2CCN(c3ccnc(C#N)n3)C2)CCC(=O)N1 1058536263 GKQLRMQGEIRVTI-BMIGLBTASA-N 314.349 -0.288 30 20 DBED COc1nc(C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N)co1 1058661409 VOZWZPUYYGKSFQ-VIFPVBQESA-N 310.310 -0.606 30 20 DBED C=C[C@](C)(CC)C(=O)N(CCO)CCNC(=O)Cn1cnnn1 1058728327 PYXVWRLGQPKEJA-CQSZACIVSA-N 324.385 -0.788 30 20 DBED C#CCCCC(=O)N1CCOC[C@@H]1CNC(=O)[C@H]1COCCO1 1061321290 ASJFCDPDPJGRMG-UONOGXRCSA-N 324.377 -0.451 30 20 DBED C=CCCC(=O)NC[C@@H]1COCCN1C(=O)c1nnn(C)n1 1061401272 DTJAFMYZSWJHEV-SNVBAGLBSA-N 308.342 -0.867 30 20 DBED N#Cc1cnc(N2CC[C@@H](CNC(=O)[C@H]3C[C@H]3C(N)=O)C2)cn1 1061731993 AWVXYVFVRHURAT-WCQGTBRESA-N 314.349 -0.588 30 20 DBED C=C(C)CCC(=O)N1CCOC[C@H]1CNC(=O)[C@@H]1CCC(=O)N1 1061739163 XMXBYUFLNZVDOE-OLZOCXBDSA-N 323.393 -0.035 30 20 DBED C=CC(C)(C)C(=O)NC[C@H]1COCCN1C(=O)CC(=O)NC 1061753909 VOZPBKZVSRPUPX-NSHDSACASA-N 311.382 -0.322 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCOC[C@H]1CNC(=O)c1nc[nH]n1 1061766471 KUVVLZLWBGZAOR-YGRLFVJLSA-N 323.353 -0.911 30 20 DBED CCNC(=O)CC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H](C)C#N 1061845989 AFNYZXNCZGMLQZ-QWRGUYRKSA-N 310.354 -0.984 30 20 DBED CN(C(=O)c1cnn(C)n1)[C@H]1CCN(c2ccc(C#N)nn2)C1 1062955534 UEZUOUQXUVXXHS-NSHDSACASA-N 312.337 -0.172 30 20 DBED N#Cc1nc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)C(N)=O)sc1Cl 1064336536 IUYYGGHGKBZEMG-PRMYIZFSSA-N 311.754 -0.153 30 20 DBED N#Cc1nc(=NC[C@@H]2CCCN2C(=O)Cn2cncn2)cc[nH]1 1064910542 OYNBVCAJBTWQIJ-NSHDSACASA-N 312.337 -0.535 30 20 DBED CCn1ncc(C(=O)N2CCO[C@@H](CNC(=O)[C@H](C)C#N)C2)n1 1065117277 LDGBYDGFFXQRME-MNOVXSKESA-N 320.353 -0.585 30 20 DBED C=CCCCC(=O)N1CC2(CN(C(=O)CNC(N)=O)CCO2)C1 1068298809 WUMTZHZNUWRMSF-UHFFFAOYSA-N 324.381 -0.549 30 20 DBED C=CC(C)(C)C(=O)N1CC2(C[C@H](NC(=O)CC(=O)NC)CO2)C1 1068826404 HRYWKKMXIBNSIV-NSHDSACASA-N 323.393 -0.179 30 20 DBED C#CCN1CCn2ncc(CNC(=O)[C@H]3COCCO3)c2C1 1069853455 RWIBEGZVNQJWDR-CQSZACIVSA-N 304.350 -0.637 30 20 DBED CN1CCOC[C@@H]1C(=O)NCc1cnn2c1CN(CC#N)CC2 1069858156 FZSRNSQOZLVYFW-CQSZACIVSA-N 318.381 -0.831 30 20 DBED N#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2n[nH]cc2F)C1 1070018592 NSDKVSVGYHZRKO-ZJUUUORDSA-N 304.289 -0.681 30 20 DBED N#CCN1C[C@H]2C[C@@H]3CN(C(=O)C[C@H]4COC(=O)C4)C[C@@]3(C1)O2 1070786601 JBOOLLKPPYUTSK-BRXULGCHSA-N 319.361 -0.235 30 20 DBED Cc1nc(O)[nH]c1C(=O)N1C[C@H]2C[C@@H]3CN(CC#N)C[C@]2(C1)O3 1070813134 IVGCWFRUXPYJAC-UEKVPHQBSA-N 317.349 -0.137 30 20 DBED N#CCN1CCNC(=O)CCN(C(=O)c2cnsn2)CC1 1070943669 YXUWNCNCBIQOPR-UHFFFAOYSA-N 308.367 -0.674 30 20 DBED C[C@H]1OCC[C@@H]1C(=O)N1CCC(=O)NCCN(CC#N)CC1 1071010289 DZXFISODEQEPOL-OLZOCXBDSA-N 308.382 -0.415 30 20 DBED C#CCN[C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCC(=O)N2)CC1 1071044299 PBVKOOSNTMRWFV-FMKPAKJESA-N 319.405 -0.116 30 20 DBED C#Cc1ccc(C(=O)N2C[C@@H](NC(=O)CC(N)=O)[C@H](C)C2)nc1 1072466882 BNFGZFSUZSXLMY-ZWNOBZJWSA-N 314.345 -0.485 30 20 DBED C[C@H](C#N)C(=O)NC1(C)CCN(C(=O)Cn2cnnn2)CC1 1072863302 MUORGXIASYPLMJ-SNVBAGLBSA-N 305.342 -0.670 30 20 DBED C#CCCN1CCO[C@@H]2CCN(C(=O)Cn3nccn3)C[C@@H]21 1074256201 QPMKLPZEHPDTPG-UONOGXRCSA-N 303.366 -0.397 30 20 DBED C#Cc1cncc(C(=O)N2CC[C@H]3OCCN(CCO)[C@@H]3C2)c1 1074336695 UNAWCUMAIJNMAB-HZPDHXFCSA-N 315.373 -0.030 30 20 DBED C=CCOCC(=O)NCC[C@H](C)NC(=O)[C@H]1COCCN1C 1075917896 MYVHSNNPHUTTKJ-QWHCGFSZSA-N 313.398 -0.469 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)[C@@H]1CCOC1 1076217749 GSCSBJFFAWIDQV-NWDGAFQWSA-N 309.366 -0.827 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H](C)CCNC(=O)C1(C(=O)NC)CC1 1077340241 VRBSMPHTEACWBJ-NWDGAFQWSA-N 323.393 -0.438 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)C1 1077822905 JFNJIFSNAFAZGJ-KBUPBQIOSA-N 320.393 -0.365 30 20 DBED N#CCN[C@H]1C[C@H]2CC[C@H]1N(C(=O)Cn1ccc(O)nc1=O)C2 1078991466 YZVWPWISKSMEMC-GRYCIOLGSA-N 317.349 -0.558 30 20 DBED C#CCNC(=O)CC(=O)N1CC(N(CC)C(=O)COCCC)C1 1079441100 DGNQSKRSQADTAY-UHFFFAOYSA-N 323.393 -0.388 30 20 DBED CCN(C(=O)C1(C(=O)NC)CC1)C1CN(C(=O)C#CC2CC2)C1 1080080924 YRZJWORRSPSQRH-UHFFFAOYSA-N 317.389 -0.015 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CO)(NC(=O)c2csnn2)CC1 1080920626 DUUBLAPVECLDQE-SECBINFHSA-N 323.378 -0.219 30 20 DBED C=CCCC(=O)N1CCC(CO)(NC(=O)c2nnn(C)n2)CC1 1080948311 KQAZYYGKTOEPQK-UHFFFAOYSA-N 322.369 -0.740 30 20 DBED C=C[C@@H](CC)CC(=O)NC1(CO)CCN(C(=O)C(N)=O)CC1 1080956622 ZASFJULTPLQHQG-NSHDSACASA-N 311.382 -0.456 30 20 DBED C#CCCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)CSCC#N)C1 1081287051 RYLKOYSJZRPKCS-CHWSQXEVSA-N 323.418 -0.018 30 20 DBED C#CCCN1C[C@@H](NC(=O)Cn2cc(C3CC3)nn2)[C@H](OC)C1 1081793226 YLFCLXGEQJOUIH-HUUCEWRRSA-N 317.393 -0.006 30 20 DBED C#CCCN1C[C@@H](NC(=O)[C@H]2C[C@H]2C(=O)N(C)C)[C@H](OC)C1 1082139215 JIJRMTSJQVIXMS-REWJHTLYSA-N 307.394 -0.451 30 20 DBED C[C@H](C#N)C(=O)N1CCCC[C@H]1CNC(=O)Cn1cncn1 1082267001 FFUADWYYNUETBI-NEPJUHHUSA-N 304.354 -0.065 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CCn2cncc2C1 1083123963 BKQZVPWRUJJYCS-AEGPPILISA-N 315.377 -0.119 30 20 DBED COc1ncc(C(=O)N2CCO[C@@H]3CN(CC#N)C[C@@H]32)cn1 1083238990 NFGXWYNPPLBNBL-NWDGAFQWSA-N 303.322 -0.466 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)CN2CCCCCCC2=O)C1 1083506484 KFUOKNZANGGOGV-CABCVRRESA-N 321.421 -0.036 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)c2ccc3nn[nH]c3n2)C1 1083508266 YFYOUDQRZKZZKF-NEPJUHHUSA-N 302.338 -0.296 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)[C@H]2CN(CC)CCO2)C1 1084077229 KWDWBZPESZGPOP-FRRDWIJNSA-N 317.817 -0.379 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CCN(CCN3CCNC3=O)C[C@H]21 1084236677 NJJSLFUUWBLXLR-YNEHKIRRSA-N 305.382 -0.296 30 20 DBED C=CCn1cc(C(=O)N(C)C[C@H]2CCN2[C@H](CC)C(N)=O)nn1 1085861489 ZKAUGFBHLODEOG-DGCLKSJQSA-N 320.397 -0.126 30 20 DBED N#CCN1C[C@@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)Cn2ncnn2)C1 1089816368 OFZFOSMGVGSRQI-RVMXOQNASA-N 301.354 -0.635 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2nccn3ccnc23)[C@@H](O)C1 1090582056 UZSKTRCGTFARIT-MNOVXSKESA-N 300.322 -0.582 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2cnc3cccnn23)[C@H](O)C1 1090631852 XBFPTRRWGSYTEW-GXTWGEPZSA-N 313.361 -0.082 30 20 DBED COC(=O)NCC(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1C 1090661671 SJYBZEVJJHVGLW-MWLCHTKSSA-N 318.337 -0.355 30 20 DBED C=CCN1CC[C@@H](NC(=O)c2nc3ncccn3n2)[C@@H](O)C1 1090664131 PPCXKBLUELQVAW-MNOVXSKESA-N 302.338 -0.525 30 20 DBED CC#CCN1CC[C@@H](NC(=O)C2CCN(C(N)=O)CC2)[C@H](O)C1 1090793788 IAAUMAAZQNYULO-ZIAGYGMSSA-N 322.409 -0.648 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(c2ncc(F)cn2)C[C@@H]1O 1091093534 YNKYIVZJYOJAOJ-SUNKGSAMSA-N 310.329 -0.392 30 20 DBED CNC(=O)NCC(=O)NCC1CC(Nc2cncc(C#N)n2)C1 1092269709 UQAULTQFPIHOFT-UHFFFAOYSA-N 317.353 -0.416 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)c3cnnn3C)c3nccn32)C1 1092364991 AGMNALBYUFXVPX-NSHDSACASA-N 311.349 -0.470 30 20 DBED N#Cc1cnc(NCCNC(=O)Cc2nc3ncccn3n2)cn1 1093638619 FLCZPOJSOAFJHV-UHFFFAOYSA-N 323.320 -0.443 30 20 DBED COCc1nocc1C(=O)NCCN=c1cc[nH]c(C#N)n1 1093743982 HDYPTOPMCDVWSA-UHFFFAOYSA-N 302.294 -0.254 30 20 DBED N#Cc1cccnc1NCCNC(=O)CC1CS(=O)(=O)C1 1093963679 STTGMBZMNATNAL-UHFFFAOYSA-N 308.363 -0.084 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)C[C@H]3CCOC3)CC2=O)C1 1094715790 QUOSUYMAKRPYRJ-OLZOCXBDSA-N 305.378 -0.553 30 20 DBED CNC(=O)CC(=O)N1CCC[C@@H](Nc2nccnc2C#N)C1 1095288668 JZZXBBKEJCFDPL-SNVBAGLBSA-N 302.338 -0.113 30 20 DBED C[C@H](NC(N)=O)C(=O)N[C@H]1CCN(c2ccc(C#N)nn2)C1 1096355706 MLVBMWJTNAMJOI-WPRPVWTQSA-N 303.326 -0.900 30 20 DBED CNC(=O)C1(C(=O)N[C@@H]2CCN(c3ccc(C#N)nn3)C2)CC1 1096396458 YCNNZYJCTHUXDQ-LLVKDONJSA-N 314.349 -0.431 30 20 DBED CNC(=O)CC(=O)N1CCCC[C@@H]1CN=c1cc[nH]c(C#N)n1 1097480584 GLKWHFOWRDPSDH-LLVKDONJSA-N 316.365 -0.301 30 20 DBED C[C@H](CNC(=O)C12CCN(CC1)C2)N=c1cc[nH]c(C#N)n1 1097972746 BANUBWGOZFAKRG-LLVKDONJSA-N 300.366 -0.217 30 20 DBED C[C@H](CNC(=O)[C@H]1CCCC(=O)N1)Nc1ccc(C#N)nn1 1098117195 GAHNAIBGVRDTOQ-MWLCHTKSSA-N 302.338 -0.066 30 20 DBED CC#CCN(CCO)C1CCN(C(=O)C[C@@H]2CCNC2=O)CC1 1098390717 WPDIVFCRPHWHIA-AWEZNQCLSA-N 321.421 -0.179 30 20 DBED N#CCN(CCO)C1CCN(C(=O)C[C@@H]2CCC(=O)NC2)CC1 1098391682 GQYHNQPHVNMGLY-ZDUSSCGKSA-N 322.409 -0.288 30 20 DBED CC(C)C#CC(=O)N1CC[C@H](n2cc(CNCC(N)=O)nn2)C1 1098669217 KNSGMVRVBZPRTD-ZDUSSCGKSA-N 318.381 -0.714 30 20 DBED C#CCN1C[C@H]2[C@H]3CC[C@@H]([C@H]2C1)N(C(=O)CNC(=O)NC)C3 1099490658 VAFXOLWDSJSONS-XUXIUFHCSA-N 304.394 -0.283 30 20 DBED CC/C=C(\C)C(=O)N[C@@H]1CCN(CC(=O)NCC#N)C[C@H]1O 1099720652 HOEKCRJWHNONTG-UDLQBDOPSA-N 308.382 -0.466 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(Cc2cnn(C)n2)C[C@@H]1O 1099739067 WLOGKGGEUHQONQ-OLZOCXBDSA-N 309.370 -0.931 30 20 DBED C#CCCCC(=O)N[C@H]1CCN(Cc2cnnn2C)C[C@@H]1O 1099807414 PNBSLKMMAGTNMW-KBPBESRZSA-N 305.382 -0.330 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2ccc(C)nn2)[C@H](O)C1 1099813626 RSLNGXKPNRJVSH-DZGCQCFKSA-N 318.377 -0.400 30 20 DBED C#CCCN1CC[C@H](NC(=O)CCCCNC(N)=O)[C@H](O)C1 1099908358 CACVCDCEVMRUHD-QWHCGFSZSA-N 310.398 -0.600 30 20 DBED C#CCN1CC[C@H](NC(=O)COc2c(C)occc2=O)[C@H](O)C1 1099916985 WUDZNTVLUAKGOQ-GXTWGEPZSA-N 320.345 -0.488 30 20 DBED CC#CCCCC(=O)N[C@@H]1CCN(CC(=O)N(C)C)C[C@@H]1O 1099962479 PCFOLEJKOXKLPZ-KGLIPLIRSA-N 309.410 -0.180 30 20 DBED CN1CCO[C@@H](C(=O)NCCN(C)c2ncccc2C#N)C1 1099996837 RXLNYVDATYKUDO-CYBMUJFWSA-N 303.366 -0.164 30 20 DBED N#CCN1CC[C@H](NC(=O)CNC(=O)C2CCCCC2)[C@H](O)C1 1100096785 NBIYDZLEECUUBS-UONOGXRCSA-N 322.409 -0.242 30 20 DBED N#CCNC(=O)CNC1CC(CNC(=O)c2ccnnc2)C1 1100700151 BRVIOGZQNXGQRV-UHFFFAOYSA-N 302.338 -0.786 30 20 DBED CCN(CCNC(=O)[C@@]1(C)CCNC1=O)c1ccc(C#N)nn1 1100716420 XGSCGNQIGCQVQY-HNNXBMFYSA-N 316.365 -0.183 30 20 DBED Cc1nc(O)nc(O)c1CC(=O)NCC1CC(NCC#N)C1 1100783529 MINWZDIGHBGVAX-UHFFFAOYSA-N 305.338 -0.253 30 20 DBED N#Cc1cccnc1N1CC[C@H](CNC(=O)CCNC(N)=O)C1 1100980192 MHDXIGNRZNXLIU-LLVKDONJSA-N 316.365 -0.046 30 20 DBED COC(=O)[C@H]1C[C@@H]1C(=O)N(C)CCN=c1cc[nH]c(C#N)n1 1101542489 RGRQJAYZUIOPBU-UWVGGRQHSA-N 303.322 -0.550 30 20 DBED CN(CCNc1ccc(C#N)nc1)C(=O)CN1C(=O)CCC1=O 1101609800 WNWKJWSKKCMSQM-UHFFFAOYSA-N 315.333 -0.027 30 20 DBED C#CCN1C[C@@H](C)[C@H](CNC(=O)[C@H](C)NS(=O)(=O)CC)C1 1101987054 WIDWFJSWHUFENM-FRRDWIJNSA-N 315.439 -0.369 30 20 DBED C[C@H](C(=O)N(C)CCN=c1cc[nH]cc1C#N)S(C)(=O)=O 1102032674 UJOYDTQRHJZRHP-SNVBAGLBSA-N 310.379 -0.321 30 20 DBED C#CCN1C[C@@H](C)[C@H](CCNC(=O)C[C@@H]2NC(=O)NC2=O)C1 1103098650 CUBOCSKKUWRMPL-UTUOFQBUSA-N 306.366 -0.708 30 20 DBED CC[C@H](CNC(=O)[C@H]1CNC(=O)N1)Nc1cncc(C#N)n1 1103277913 QVKHBHCEXGPKQY-PSASIEDQSA-N 303.326 -0.664 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H](C)CNc1cc(F)ncn1 1103956329 ONCHKBZTWCWJFT-SNVBAGLBSA-N 307.329 -0.081 30 20 DBED C[C@H](CNC(=O)Cn1ncnn1)CNc1ccc(C#N)cn1 1104094901 KZLPTZKBQCWALH-JTQLQIEISA-N 300.326 -0.196 30 20 DBED Cc1cc(C(=O)NC[C@@H](O)CN=c2cc[nH]c(C#N)n2)nn1C 1105733813 YTBVLXZTTCJRBC-JTQLQIEISA-N 315.337 -0.985 30 20 DBED N#Cc1cncc(NC[C@H](O)CNC(=O)Cc2cc[nH]n2)n1 1105761621 DJPXUEQUOYDLKT-NSHDSACASA-N 301.310 -0.797 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)CN2CCOCC2)nc1 1105829133 QAMVQPAXEKMJTD-CYBMUJFWSA-N 319.365 -0.826 30 20 DBED Cn1ccc(C(=O)NC[C@@H](O)CNc2ccc(C#N)nc2)n1 1105856712 ZGNMYAVUMZEXEK-LBPRGKRZSA-N 300.322 -0.110 30 20 DBED C=CCCOCC(=O)NC[C@@H](O)CNc1nccnc1C#N 1105889834 IUYRAMIWLIFGRD-LLVKDONJSA-N 305.338 -0.170 30 20 DBED COC[C@@H](C)CC(=O)NC[C@@H](O)CN=c1cc[nH]cc1C#N 1105940412 AHYOFAJMXIXBLT-AAEUAGOBSA-N 306.366 -0.063 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H](O)CNc1cc(C)nc(OC)n1 1105970459 IALSVBPKYOCLKE-NWDGAFQWSA-N 322.365 -0.279 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)CCc2ccon2)nn1 1106019959 UNIQXGMGLUWSBV-LBPRGKRZSA-N 316.321 -0.142 30 20 DBED Cc1cc(=NC[C@@H](O)CNC(=O)c2[nH]nnc2C)c(C#N)c[nH]1 1106035652 JRNJZGDYQLKNCU-LLVKDONJSA-N 315.337 -0.687 30 20 DBED N#Cc1cnc(NC[C@@H](O)CNC(=O)c2csc(O)n2)cn1 1106066925 NIPRMWLGWADDDR-MRVPVSSYSA-N 320.334 -0.287 30 20 DBED C[C@@]1(C(=O)NC[C@H](O)CNc2ncccc2C#N)CCC(=O)N1 1106082633 BCHKXDZGVJRLFP-ABAIWWIYSA-N 317.349 -0.489 30 20 DBED CCC(=O)N[C@@H](C)C(=O)NC[C@H](O)CNc1nccnc1C#N 1106141192 YLLKZMQUIIZGTE-VHSXEESVSA-N 320.353 -0.848 30 20 DBED CCc1n[nH]cc1C(=O)NC[C@@H](O)CNc1ccc(C#N)nn1 1106163161 MLNWXRZHBRLISK-JTQLQIEISA-N 315.337 -0.163 30 20 DBED C=C(C)CNC[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@H]1C 1106346756 RWHLNVPCPWGYKU-CHWSQXEVSA-N 307.398 -0.158 30 20 DBED CCN(CCNc1cnc(C#N)cn1)C(=O)[C@H](C)NC(N)=O 1106736418 UVSMMADCTHDSOP-VIFPVBQESA-N 305.342 -0.335 30 20 DBED C=CCOCCN1CC(n2cc(CNC(=O)COCC)nn2)C1 1107124317 YJLVEYASVULZLL-UHFFFAOYSA-N 323.397 -0.010 30 20 DBED C=CCCOCC(=O)NCc1cn(C2CN(CCCO)C2)nn1 1107241354 SDWWALGDFVGNOR-UHFFFAOYSA-N 323.397 -0.274 30 20 DBED C#CCNC(=O)CN1CCO[C@@](C)(CNC(=O)/C(C)=C\C)C1 1107852850 KOUSEKMLHVKFFF-DZNGUJDPSA-N 307.394 -0.091 30 20 DBED C#CCCN1CCO[C@@](C)(CNC(=O)c2cnn(C)c2N)C1 1107888448 QRNOSVJWKWPCTH-HNNXBMFYSA-N 305.382 -0.154 30 20 DBED C#CCOCCC(=O)N[C@H](C)CNc1ncnc2c1nnn2C 1107941193 ZETPAHWDSDQOHI-SNVBAGLBSA-N 317.353 -0.285 30 20 DBED C#CCNC(=O)CN1CCO[C@](C)(CNC(=O)CCCF)C1 1108124286 HUBWAWJHWRBNAY-OAHLLOKOSA-N 313.373 -0.307 30 20 DBED Cc1cc(C#N)nc(N(C)C[C@H](C)NC(=O)[C@@H]2CNC(=O)N2)n1 1109210682 GAJFVYIWJGPGQT-ONGXEEELSA-N 317.353 -0.721 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1nnn(C)n1 1110546311 SWQLEOUIDLRGEJ-LPWJVIDDSA-N 318.381 -0.530 30 20 DBED N#Cc1ccc(NC2(CNC(=O)[C@H]3CCNC3=O)CCC2)nn1 1111880569 GOUBZEGSWOXYIX-NSHDSACASA-N 314.349 -0.065 30 20 DBED CN(CCCN(C)c1ccncc1C#N)C(=O)Cn1cnnn1 1112040519 NTVFYFNIRUNLTR-UHFFFAOYSA-N 314.353 -0.075 30 20 DBED C[C@@H]1CN(C(=O)CCNC(N)=O)C[C@@H]1N=c1cc[nH]cc1C#N 1112313068 PIIJUMSHQYCVLF-MFKMUULPSA-N 316.365 -0.308 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)CC2OCCCO2)CC1 1112791260 BGNYQBKBOSSPKU-ZDUSSCGKSA-N 323.393 -0.578 30 20 DBED C[C@H](NC(=O)Cn1cnnn1)[C@H](C)Nc1ccc(C#N)nn1 1112905846 SJEJGQDLAJAEQW-IUCAKERBSA-N 301.314 -0.660 30 20 DBED CNC(=O)NCC(=O)N[C@@H](C)[C@@H](C)Nc1cncc(C#N)n1 1113349849 KPGUBZTUSCWEGL-BDAKNGLRSA-N 305.342 -0.418 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCNC(=O)C1)N(C)c1cnc(C#N)cn1 1113575600 ZEJAPYUYTXYYAN-QWRGUYRKSA-N 316.365 -0.185 30 20 DBED C[C@H](CNC(=O)CCNC(N)=O)N(C)c1ccc(C#N)cn1 1113609613 OYJKXXAATLUVQS-SNVBAGLBSA-N 304.354 -0.047 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)[C@@H]3CN(C)CCO3)[C@H]2C1 1114090327 BPUHDCAEDCTYFA-LJISPDSOSA-N 307.394 -0.987 30 20 DBED C=CCOCCN1C[C@H]2[C@H](NC(=O)CN3CCOCC3)[C@H]2C1 1114147061 PCPJXAXJXJDOQW-FOLVSLTJSA-N 309.410 -0.432 30 20 DBED C=C[C@](C)(O)CC(=O)NC1[C@H]2CN(Cc3nncn3C)C[C@H]12 1114194056 KPTKZWAOJQHYJB-PGUXBMHVSA-N 305.382 -0.311 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@H]1[C@@H]2CN(CC(=O)NC3CC3)C[C@@H]21 1114194836 WNXNWWSMLTYYCP-GUYJKWIASA-N 307.394 -0.362 30 20 DBED C=CCCN1C[C@@H]2C(NC(=O)CCNS(C)(=O)=O)[C@H]2C1 1114361379 MTGHLCOMEVYGJC-QWRGUYRKSA-N 301.412 -0.452 30 20 DBED CC1(C)CN(c2nccnc2C#N)C[C@H]1NC(=O)CC(N)=O 1114427937 SXDDNZCYGPDTLA-SNVBAGLBSA-N 302.338 -0.445 30 20 DBED CC#CCCCC(=O)NC1[C@H]2CN(Cc3nnnn3C)C[C@H]12 1114711648 YJPFZUBNEVRJKB-RYUDHWBXSA-N 302.382 -0.050 30 20 DBED C=CCN(C(=O)C(=O)NCCN1CCCC1=O)[C@@H](C)COC 1118723139 AAOBFUUPKLUWAS-LBPRGKRZSA-N 311.382 -0.226 30 20 DBED CCC1(Cn2cc(C(=O)NCC(=O)NCC#N)nn2)COC1 1118910682 PVBCTPSDRITXDJ-UHFFFAOYSA-N 306.326 -0.926 30 20 DBED C[C@H](CN(C)C(=O)Cc1nc[nH]n1)N=c1cc[nH]c(C#N)n1 1120067034 BDHAHUFRLJRYQQ-SECBINFHSA-N 300.326 -0.610 30 20 DBED C#CCOCCn1nnnc1N1CCC2(CC1)CNC(=O)O2 1120159683 CLVRRUCLXXZDIC-UHFFFAOYSA-N 306.326 -0.598 30 20 DBED C=CCOCCn1nnnc1N1CC[C@@H]2COC(=O)N[C@H]2C1 1120178659 NIOFRHUYKVRIOY-MNOVXSKESA-N 308.342 -0.190 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CC2(CC(NC(=O)CC(N)=O)C2)C1 1120874717 OYUPPOHCYISTOX-CUMPHSRVSA-N 320.393 -0.983 30 20 DBED Cc1nc(N[C@H](CO)CNC(=O)[C@H](C)C#N)nc(N(C)C)n1 1121212753 ITVFWWQHPCJQDK-SCZZXKLOSA-N 307.358 -0.705 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)c2nccnc2N)cn1 1121228124 CSOFHMPXNYJYMU-LLVKDONJSA-N 313.321 -0.472 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@H](CO)Nc1ccc(C#N)nn1 1121405131 LEVIHJYNBDUMMD-FZMZJTMJSA-N 305.338 -0.436 30 20 DBED Cc1cn(C)nc1C(=O)NC[C@H](CO)Nc1cncc(C#N)n1 1121445811 DFHAYUYYTPYRBJ-LLVKDONJSA-N 315.337 -0.407 30 20 DBED N#Cc1cccnc1N[C@@H](CO)CNC(=O)C12CCN(CC1)C2 1121806937 OFXHCXVFMHRKOX-CYBMUJFWSA-N 315.377 -0.062 30 20 DBED N#Cc1nccnc1N[C@H](CO)CNC(=O)CCc1ccon1 1122236193 YBHLKGIAYWNGGW-NSHDSACASA-N 316.321 -0.142 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]cc1C#N)C(=O)CCCC(N)=O 1124393169 DDDNZBOWYKNYIW-LBPRGKRZSA-N 319.365 -0.738 30 20 DBED CC(C)[C@H](F)C(=O)N(C)C[C@H](O)CN=c1cc[nH]c(C#N)n1 1124648039 AOYOGXCDAULTCQ-MFKMUULPSA-N 309.345 -0.005 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)C1=COCCC1 1124675254 UWYMDXHGPCKOCR-NSHDSACASA-N 324.381 -0.213 30 20 DBED C#CCO[C@H](C)C(=O)NCCNCc1cc(=O)n2nccc2[nH]1 1127046135 MNMVUVLKYHBUCS-LLVKDONJSA-N 317.349 -0.733 30 20 DBED Cc1nsc(NCCOCCN(C)C(=O)C(N)=O)c1C#N 1127458176 WZRAPTPGYKLGLV-UHFFFAOYSA-N 311.367 -0.305 30 20 DBED C#CCNCc1ccncc1O[C@H]1CCN(C(=O)C(N)=O)C1 1127892217 GXWSJPDOPOSKIN-LBPRGKRZSA-N 302.334 -0.731 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)C(C)C)C[C@@H]1n1ccnn1 1129582827 PXZSHMFXOHCHDI-OLZOCXBDSA-N 320.397 -0.422 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCNCC(=O)N[C@@H](C)CC 1129771077 QIKOBMXHWYKDKN-KBPBESRZSA-N 308.426 -0.296 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)c1cc(OCC)n[nH]1 1130109462 OUYPSVKXPWZFQT-JTQLQIEISA-N 309.370 -0.182 30 20 DBED C=C(C)CCN[C@@H]1CN(C(=O)C(N)=O)C[C@H]1c1cn(C)cn1 1130659504 OVLUTZGUEAAGTK-WCQYABFASA-N 305.382 -0.244 30 20 DBED C#CCO[C@@H](C)C(=O)NCc1nc([C@H]2COCCN2CC)n[nH]1 1130846082 RDFWZDPIHNGDQN-NWDGAFQWSA-N 321.381 -0.148 30 20 DBED C#CCN1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)CC(N)=O)n1 1130870934 AGDFCZFOFMKQMA-RYUDHWBXSA-N 319.365 -0.581 30 20 DBED C=CCN1C[C@H]2C[C@@H]3CN(C(=O)CCNC(=O)NC)C[C@@]3(C1)O2 1131227231 KFRFPYOVRZGFJA-XJKCOSOUSA-N 322.409 -0.207 30 20 DBED C#CCCN1C[C@H]2C[C@H]3CN(C(=O)[C@H](COC)OC)C[C@@]3(C1)O2 1131264203 LOGVATUYVLTERU-QSJFSLAZSA-N 322.405 -0.027 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)[C@@H](C)OCC=C)CC1 1131399419 RBAPBQFBZIWNMO-CQSZACIVSA-N 307.394 -0.139 30 20 DBED C=CCOCCNCCNC(=O)[C@H]1COCCN1CC(F)F 1131824548 CKTACDOAZQKXBQ-GFCCVEGCSA-N 321.368 -0.139 30 20 DBED C=CCOCCN1C[C@@H](NC(=O)c2nnn(C)n2)CC[C@@H]1C 1132224036 JRNORHLIRGOMHV-RYUDHWBXSA-N 308.386 -0.005 30 20 DBED CCOCC(=O)N1CC[C@H](C)[C@@H](CNCC(=O)NCC#N)C1 1132610827 SETLEURBLAQTNV-STQMWFEESA-N 310.398 -0.263 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1c[nH]nc1[C@@H]1CCCO1 1132779596 FSNBZQXDZJBRAY-NSHDSACASA-N 320.353 -0.780 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)c1n[nH]cc1C 1134303248 QAKIPFHDXGYMID-NWDGAFQWSA-N 305.382 -0.046 30 20 DBED COc1nc(C(=O)N[C@H](C)C[C@@H](C)NCC(=O)NCC#N)co1 1135093527 WQKWMRIVUDLQMC-NXEZZACHSA-N 323.353 -0.191 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)C(C)(C)NS(C)(=O)=O)NCC#N 1135639236 JQTHZTPOIQLYNH-VHSXEESVSA-N 304.416 -0.289 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)CCNC(=O)c1cnccn1)NCC#N 1146452784 YDOMZJOXTAURFR-NWDGAFQWSA-N 318.381 -0.007 30 20 DBED C=CCNC(=O)CN1CCC2(C1)CN(C(=O)[C@H]1COCCO1)C2 1147031498 WJIGONUINPSQQB-CYBMUJFWSA-N 323.393 -0.762 30 20 DBED C=CCNC(=O)CN1CCC2(C1)CN(C(=O)Cc1nc[nH]n1)C2 1148571319 HBHUWVIPSRSIHX-UHFFFAOYSA-N 318.381 -0.816 30 20 DBED Cn1nccc1COCC(=O)NC[C@H]1CN(CC#N)CCCO1 1149881327 KWNRHOLHLBBERA-AWEZNQCLSA-N 321.381 -0.333 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@@H](c1cccnc1)N(C)C 1152604160 WHMVZDDUOWDXPP-OAHLLOKOSA-N 319.409 -0.308 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)CN(C)C1CCC1 1160003554 URARYCUFVBVDNE-ZDUSSCGKSA-N 308.426 -0.296 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)C[C@H]1CCC(=O)N1C 1163800586 DVBZKJIASYCWMG-QWHCGFSZSA-N 324.425 -0.216 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@@H](C)c1cncnc1 1164520075 BKWIJMNNBVTOIN-LBPRGKRZSA-N 305.382 -0.022 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)c1ccn(CC)n1 1167651085 ZEKDIEFIJRNFAZ-GFCCVEGCSA-N 305.382 -0.250 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@H](C)Oc1ccccn1 1171383491 JFFIPUFJKCTDSL-ZDUSSCGKSA-N 318.377 -0.306 30 20 DBED N#CCNC(=O)CNCCCNC(=O)CCCn1cccn1 1176396656 GTMJMSXLQWVZJE-UHFFFAOYSA-N 306.370 -0.601 30 20 DBED C#CCCN[C@H]1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)[C@H]1C 1178830291 RKYIXDLUSCIDKI-STQMWFEESA-N 318.377 -0.851 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](N[C@@H]2CCCN(C)C2=O)C1 1182513299 CYSUSESFBZAIOC-ZIAGYGMSSA-N 307.394 -0.162 30 20 DBED C[C@@H]1CN(C(=O)CN2CCOCC2=O)CC[C@@H]1CNCC#N 1184586772 LGDVCYCRKUKYSW-CHWSQXEVSA-N 308.382 -0.557 30 20 DBED C=CCNC[C@H]1CCN(C(=O)CN2CC(=O)NC2=O)C[C@H]1C 1185327572 RHXTXHOIFKPKLM-VXGBXAGGSA-N 308.382 -0.202 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CCCN2C(C)=O)C1 1187213807 OYOQZENGXCULDN-KGLIPLIRSA-N 322.409 -0.510 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@H]1CCN(C(=O)c2ccon2)C1 1189097203 YKQKNEDXNNTYTR-RYUDHWBXSA-N 304.350 -0.041 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2ocnc2C)C1 1189537709 MZWRNHGHTKGZGI-GFCCVEGCSA-N 304.350 -0.121 30 20 DBED CCn1nnc(C)c1CN1C[C@@H](O)[C@H](NC(=O)[C@H](C)C#N)C1 1191854784 RYKYWOAKRGQMJJ-IRUJWGPZSA-N 306.370 -0.573 30 20 DBED C#CCCCC(=O)N[C@@H]1CN([C@H]2CCN(C(C)C)C2=O)C[C@H]1O 1192525009 OXLNBXKUNBHMSS-QLFBSQMISA-N 321.421 -0.040 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CN(Cc2ncnn2CCF)C[C@H]1O 1192770596 MYEXVQMAEDQUNW-CHWSQXEVSA-N 321.356 -0.678 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)[C@@]2(COC)CCOC2)C1 1195051246 WHOXGXITOSCRCP-YRGRVCCFSA-N 318.801 -0.047 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)c2cn(CC=C)nn2)C1 1196758564 WIBWSTYJBNTQNR-TZMCWYRMSA-N 321.381 -0.558 30 20 DBED N#CCNC[C@@H]1CN(C(=O)c2cc3n(n2)CCO3)CCCO1 1200696106 GWLVRVWRLOEDFW-LLVKDONJSA-N 305.338 -0.380 30 20 DBED C=CCNC(=O)[C@@H](C)NC1CCN(C(=O)CCCC(N)=O)CC1 1204076495 OIHIRDHFXULONI-GFCCVEGCSA-N 324.425 -0.087 30 20 DBED C#CCNCC1CCN(C(=O)CNC(=O)C2CCOCC2)CC1 1206628621 NLQWULZLESOKNK-UHFFFAOYSA-N 321.421 -0.009 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)c2cn(C)nn2)[C@H](C)C1 1206928071 GCDLYJNDORRJTE-GRYCIOLGSA-N 320.397 -0.444 30 20 DBED COCC#CCN1C[C@@H](NC(=O)[C@H]2C[C@@H](C)CC(=O)N2)[C@H](C)C1 1206984884 DIKPLCZAVBLMRU-KBUPBQIOSA-N 321.421 -0.013 30 20 DBED CC(=O)NCCOCCN[C@H]1CCCN(C(=O)[C@H](C)C#N)C1 1207694758 XHZSIJRRLRVMPG-OCCSQVGLSA-N 310.398 -0.121 30 20 DBED CC#CCN[C@H]1CCCN(C(=O)CCc2nnc(O)nc2O)C1 1208486381 KAMSUSCSYAFQBJ-NSHDSACASA-N 319.365 -0.181 30 20 DBED CO[C@@H]1CN(CCN2CCCC2=O)C[C@H]1NC(=O)[C@H](C)C#N 1212045209 JGVQINYKWPXDLZ-JHJVBQTASA-N 308.382 -0.416 30 20 DBED CO[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1NC(=O)CC(N)=O 1212068911 GSLPYGUUIQHRIJ-HUUCEWRRSA-N 315.373 -0.271 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)Cn2ccnc2)[C@H](OC)C1 1213977701 USTZGTYKLORMQH-CHWSQXEVSA-N 321.381 -0.999 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C 1214176668 GZSCVPVECLHPPX-JHJVBQTASA-N 322.434 -0.182 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)CCCCC(N)=O)C[C@H]1C 1216279615 DPVXJYWSDOYMSU-CHWSQXEVSA-N 324.425 -0.229 30 20 DBED C=CCOCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)Cn1cccn1 1217285460 CRTKFYUSMHCVAD-LSDHHAIUSA-N 320.393 -0.003 30 20 DBED C=CCCCCCN1C[C@H](O)[C@H](NC(=O)CS(C)(=O)=O)C1 1219302524 LXIQKGQOIIQUEE-OLZOCXBDSA-N 318.439 -0.061 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN([C@H](C)CCC=C)C[C@@H]1O 1219486949 ABTXSBUQVKTPLS-MCIONIFRSA-N 307.394 -0.358 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2ncc(C)cn2)C[C@@H]1O 1219604846 AWXIFURPHJYSES-MCIONIFRSA-N 318.377 -0.515 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)C2(C)CC(=C)C2)C1 1220320509 BENSRJCRIFDPMV-MJBXVCDLSA-N 319.405 -0.358 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)CCC2(C)CC2)C1 1220675932 DTBJSGZFCXYZDO-MCIONIFRSA-N 321.421 -0.134 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@@H]2CN(C(=O)c3cc[nH]n3)[C@@H]2C1 1221289767 ZIMUKBLMEKWGIS-OUCADQQQSA-N 315.377 -0.306 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)C2(N(C)C)CCC2)CC1 1227807828 XSQVDSZKJHWNCO-UHFFFAOYSA-N 320.437 -0.199 30 20 DBED COCC#CCN1CCC(NC(=O)c2nnc(O)nc2O)CC1 1228168789 KRFQNXOTIHWPNT-UHFFFAOYSA-N 321.337 -0.873 30 20 DBED C=CCNC(=O)[C@H](C)N1CC[C@H]1CN(C)C(=O)CNC(C)=O 1230646443 OMABRBXVCYEEMV-AAEUAGOBSA-N 310.398 -0.654 30 20 DBED CN(C[C@H]1CCN1CC(=O)NC(N)=O)C(=O)c1cc(C#N)c[nH]1 1231408181 WVTVNCATBGXQCX-SNVBAGLBSA-N 318.337 -0.772 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@H]1CN(C)C(=O)c1cn(C)nn1 1234051832 WSVUFYVDKFGYPY-RYUDHWBXSA-N 318.381 -0.901 30 20 DBED CNC(=O)NC(=O)CN1CC[C@@H]1CN(C)C(=O)C#CC1CC1 1234179223 TXONHYVQKKJMIV-GFCCVEGCSA-N 306.366 -0.612 30 20 DBED CC#CCN1CC[C@@H]1CN(C)C(=O)CCNS(C)(=O)=O 1234924632 RUARVFKYBZUGSA-GFCCVEGCSA-N 301.412 -0.518 30 20 DBED N#CCn1cc(NC(=O)C(=O)N2CCC[C@@]23CCOC3=O)cn1 1320923258 LLKAFFMHZUOKFK-AWEZNQCLSA-N 317.305 -0.347 30 20 DBED CC1(C)CN(C(=O)C(=O)Nc2cnn(CC#N)c2)CC[C@@H]1O 1321612959 CTHJXYLWKXDSDB-NSHDSACASA-N 305.338 -0.035 30 20 DBED C[C@H]1C(=O)NCCN1C(=O)C(=O)NCC1CCC(C#N)CC1 1324189482 MBIQULBWYMOIRW-UNXYVOJBSA-N 306.366 -0.221 30 20 DBED C[C@@H]1C[C@H](NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)CO1 1326749944 OSAQRNYVUYKCQU-WWRYOJEZSA-N 308.338 -0.011 30 20 DBED Cn1ncc2c1CCC[C@H]2NC(=O)C(=O)N1CCO[C@H](C#N)C1 1327636924 RCCBTNCFIACUBK-ZYHUDNBSSA-N 317.349 -0.335 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H](NC(N)=O)C1 1327753386 UUSRATDVCDISST-UTUOFQBUSA-N 324.381 -0.647 30 20 DBED N#CCn1cc(NC(=O)C(=O)NC[C@H](CO)CC2CC2)cn1 1328235560 LGWMFVKZUGZQPA-LLVKDONJSA-N 305.338 -0.130 30 20 DBED CN(C)[C@H]1[C@@H]2CN(C(=O)CCN/C(O)=C3\N=CC=CC3=O)C[C@@H]21 1329018860 KVJZRVYZFOYEIK-PBDIFXIASA-N 318.377 -0.079 30 20 DBED C=CCC1(O)CCN(C(=O)C(=O)NC[C@@H]2COCCO2)CC1 1332095776 FEXWYVMPTIHLMD-GFCCVEGCSA-N 312.366 -0.552 30 20 DBED CCN1C[C@H](C)N(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)C[C@H]1C 1332375361 CSSUVDUJJCAREY-DVOMOZLQSA-N 322.409 -0.195 30 20 DBED CC#CCN(C)c1nnnn1CCS(=O)(=O)NC(C)(C)C 1334843762 LOIBYQWLBOBGRY-UHFFFAOYSA-N 314.415 -0.150 30 20 DBED C=CCn1c(CCO)nnc1N1CCN([C@H]2CCOC2)CC1 1339879954 IOZCLACKOIOKNF-ZDUSSCGKSA-N 307.398 -0.090 30 20 DBED C[C@@]1(C#N)CCCN(C(=O)C(=O)N[C@H]2CCS(=O)(=O)C2)C1 1352825563 QQYSHYVTFHMXDO-GWCFXTLKSA-N 313.379 -0.558 30 20 DBED C[C@H]1C[C@H](NC(=O)CCn2cc(C#N)c(O)nc2=O)CCO1 1362488508 PPJHIRDAFVAOKP-GXSJLCMTSA-N 306.322 -0.106 30 20 DBED N#Cc1ccsc1C(=O)NC[C@]1(O)CCS(=O)(=O)C1 1363241760 SGSFLCHXZJKBHC-LLVKDONJSA-N 300.361 -0.101 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CCCN1C(=O)C1(NC(N)=O)CC1 1387390783 OSXVKTQMDPFWCM-VHSXEESVSA-N 307.354 -0.546 30 20 DBED Cc1ncc(C(=O)NC[C@@]2(O)CCN(C(=O)[C@H](C)C#N)C2)[nH]1 1390439229 XSLOONCBSCXSER-OTYXRUKQSA-N 305.338 -0.429 30 20 DBED C=C(Cl)CNC[C@@H](O)CNC(=O)C[C@H]1CCC(=O)NC1 1406231165 DMPIAJIBUGHCGQ-GHMZBOCLSA-N 303.790 -0.278 30 20 DBED CCN(CCNC(=O)[C@H](C)C#N)C(=O)Cn1nc(C)n(C)c1=O 1408790800 SLSBIEWBFUKJTR-SNVBAGLBSA-N 322.369 -0.985 30 20 DBED N#Cc1ccc(N2C[C@H](C(=O)N[C@@H]3COC[C@@H]3O)CC2=O)cc1 1413390107 OSSKCFDMJYHWML-BNOWGMLFSA-N 315.329 -0.213 30 20 DBED CNC(=O)[C@H](O)CNC(=O)c1cnc(C(F)(F)F)c(C#N)c1 1413848516 KRCGKAQWHFRANH-MRVPVSSYSA-N 316.239 -0.191 30 20 DBED CCN1CCOC[C@H]1C(=O)N(CCNC(=O)[C@H](C)C#N)C1CC1 1415883572 RDWDTUQJUVPSSD-OCCSQVGLSA-N 322.409 -0.026 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](C)CCNC(=O)c1cccn2nnnc12 1431014520 WSHUCIYKUJEEFU-VHSXEESVSA-N 315.337 -0.091 30 20 DBED CCN(CCNC(=O)[C@@H]1CCCS1(=O)=O)C(=O)[C@@H](C)C#N 1431640329 ZXKSSDPNJDRERU-QWRGUYRKSA-N 315.395 -0.312 30 20 DBED CC(C)Cn1nccc1C(=O)NC[C@@H](O)CNC(=O)[C@@H](C)C#N 1433296958 CUTALXIRCVQVEF-RYUDHWBXSA-N 321.381 -0.094 30 20 DBED CN(C[C@H](O)CNCc1cncn1C)C(=O)c1cc(C#N)c[nH]1 1449105602 SJUFRMSXHLCQGT-CYBMUJFWSA-N 316.365 -0.157 30 20 DBED C[C@H](C#N)C(=O)NC1CN(C(=O)[C@@H](NC(N)=O)C(C)(C)C)C1 1450501218 WDBHEKRAJZNUBD-PSASIEDQSA-N 309.370 -0.444 30 20 DBED CNC(=O)NCC(=O)N1CCC(C)(CNC(=O)[C@@H](C)C#N)CC1 1506674012 CRFVBJUFSFJZLV-NSHDSACASA-N 323.397 -0.180 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)CNC(=O)O)[C@H](O)C1 1573369231 PYLNSZZNCAGGAE-GHMZBOCLSA-N 301.343 -0.992 30 20 DBED C#CCN1CCC(C(=O)N[C@H](CCC(=O)O)C(=O)OC)CC1 1588471542 SOUYKSSVMJUKJA-GFCCVEGCSA-N 310.350 -0.146 30 20 DBED C[C@@](C#N)(CC(=O)O)C(=O)Nc1ccc(S(C)(=O)=O)nn1 1588541714 LBRWQYYWTPBQLS-NSHDSACASA-N 312.307 -0.177 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](C)N=c1cc[nH]cc1-c1nn[nH]n1 1589849742 LNLJQQAOUWLHMW-DTWKUNHWSA-N 300.326 -0.240 30 20 DBED CC(C)C#CC(=O)N(C)CCOCCNC(=O)[C@H]1C[C@H]1C(=O)O 1590926964 NAXJUXCAAKMWPL-QWHCGFSZSA-N 324.377 -0.042 30 20 DBED CN(CCC#N)S(=O)(=O)N[C@@]1(CC(=O)O)CCCOC1 1598468998 PEOZZCQTGGMQQP-LLVKDONJSA-N 305.356 -0.310 30 20 DBED C=CCN(CC=C)C(=O)C(=O)N1C[C@@H](C(=O)OC)[C@@H](C(=O)O)C1 1602887725 KYCCQTGHXXHDMQ-WDEREUQCSA-N 324.333 -0.481 30 20 DBED CC(C)(C#N)CS(=O)(=O)NCCn1cc(C(=O)O)nn1 1603230590 ORLFEXGEBFJLHR-UHFFFAOYSA-N 301.328 -0.555 30 20 DBED Cc1nc(-c2nn[nH]n2)c(C#N)n1CC(=O)NC[C@@H]1CCCO1 1606017976 PZZQYAYGJCPCMO-VIFPVBQESA-N 316.325 -0.462 30 20 DBED CC(C)N1CCCC[C@H]1C(=O)NC[C@H](C)NCC(=O)NCC#N 1752902652 GEUJGBCHYCIMRN-KBPBESRZSA-N 323.441 -0.017 30 20 DBED N#CCNCCNC(=O)[C@H]1CCCN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1752926708 WVEPOVXUKOCBEP-IGQOVBAYSA-N 320.393 -0.653 30 20 DBED CCc1ncoc1C(=O)NCCN(CC)CC(=O)NCC#N 1753088394 GXSWAZJSIIZCEQ-UHFFFAOYSA-N 307.354 -0.072 30 20 DBED C=CCNC(=O)[C@H](C)N1CC[C@@H](NC(=O)[C@@H]2CCC(=O)N2C)C1 1753428880 OLWXKEVKUYATNJ-XQQFMLRXSA-N 322.409 -0.512 30 20 DBED COCC#CCN[C@H]1CCN(C(=O)Cn2ncnn2)C[C@H]1C 1753754285 GKSQSKYKHQXAPJ-OLZOCXBDSA-N 306.370 -0.851 30 20 DBED CC(C)N(C)CC(=O)N[C@@H]1CCC[C@H]1CNCC(=O)NCC#N 1753900927 DBUVXISCIHLRDQ-UONOGXRCSA-N 323.441 -0.159 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(N[C@@H](C)c2nnnn2C)CC1 1754513037 FJNSAKPBMQTRRR-GXFFZTMASA-N 308.386 -0.163 30 20 DBED C#CCNC(=O)CN1CCOC[C@@H]1CNC(=O)C(C)(C)CC 1754971384 LYQPVTDZMBNMEJ-ZDUSSCGKSA-N 309.410 -0.011 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(NCc2cnnn2C)CCC1 1754980398 BBBAINGVNIEAHX-LBPRGKRZSA-N 305.382 -0.018 30 20 DBED C[C@@H]1C[C@@H](C(=O)NCC2(NCC(=O)NCC#N)CCC2)CO1 1754991000 VINUZCVIJSRLCL-VXGBXAGGSA-N 308.382 -0.320 30 20 DBED COCC#CCNC[C@H]1CN(C(=O)c2c(C)cnn2C)CCO1 1755006836 HOEZKFJARUDOBF-AWEZNQCLSA-N 320.393 -0.191 30 20 DBED Cc1ocnc1C(=O)N[C@H]1C[C@H](CNCC(=O)NCC#N)C1 1755466235 MUGYGPSULOTTDM-XYPYZODXSA-N 305.338 -0.279 30 20 DBED C#CCNC(=O)CN(C)C1CCN(C(=O)CC(C)(C)O)CC1 1755529278 OQUWJDCRPJOYNK-UHFFFAOYSA-N 309.410 -0.180 30 20 DBED C[C@H]1C[C@H](NCC(=O)NCC#N)CN1C(=O)c1cc[n+]([O-])cc1 1755670170 QCPOWIYDRMKAHT-AAEUAGOBSA-N 317.349 -0.848 30 20 DBED C#CCN(C)C[C@@H](O)CN(C)C(=O)[C@@H](OC)c1cnn(C)c1 1755802354 CMHMWBVSSHQBLR-KGLIPLIRSA-N 308.382 -0.508 30 20 DBED C#CCCCC(=O)N[C@@H](C)[C@H]1CN(C(=O)CC(N)=O)CCO1 1756217968 QJQZKIGSYQQZPW-NWDGAFQWSA-N 309.366 -0.603 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H](C)CN(C)C(=O)CCn1cnnn1 1756486648 SGBNZPWTOWNZJB-NEPJUHHUSA-N 322.369 -0.935 30 20 DBED C[C@@H](C(=O)N[C@@H](CO)CNC(=O)C#CC1CC1)c1ccnn1C 1756519868 PNYSRSPICJQTMR-DGCLKSJQSA-N 318.377 -0.470 30 20 DBED C=C[C@](C)(CC)C(=O)N[C@@H]1CN(C(=O)CNC(C)=O)C[C@H]1O 1757031642 JYKTXCWGUNAIEB-LALPHHSUSA-N 311.382 -0.587 30 20 DBED Cn1ccc(C(=O)N2C[C@H](O)[C@H](NC(=O)C#CC3CC3)C2)c1 1757171513 VLFXDSXQUJBKJC-KGLIPLIRSA-N 301.346 -0.260 30 20 DBED C=C[C@H](CC)CC(=O)N1C[C@H](O)[C@H](NC(=O)c2nc[nH]n2)C1 1757199897 ICQGXXWIZXKYPM-MXWKQRLJSA-N 307.354 -0.292 30 20 DBED N#CCCN(CCN1CCOCC1)C[C@@H]1CCS(=O)(=O)C1 1771679660 WQRANLBNRBGSOT-AWEZNQCLSA-N 315.439 -0.031 30 20 DBED CO[C@@H]1C[C@@H](C(=O)O)CN(S(=O)(=O)N(C)CCC#N)C1 1777159705 OXYRLZCKUGXMNY-NXEZZACHSA-N 305.356 -0.502 30 20 DBED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccno3)[C@H]2C1 1786023062 PYFGARGRNZSZMQ-GVXVVHGQSA-N 303.318 -0.099 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)n1ccnn1 1800272394 HFRUEJPYJBTION-FMSGJZPZSA-N 317.349 -0.938 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CCOCC1)C2 1800451706 DEINGAXTCUSCBI-AGGWBTHJSA-N 306.362 -0.364 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1CCC[C@H]1C(=O)O 263542976 FBQFEQOSMPNJTG-JTQLQIEISA-N 305.356 -0.358 30 20 DBED COC(=O)[C@@H]1C[C@@H](O)CN1C[C@@H](O)COc1ccc(C#N)cc1 264632436 VKYJDMGVTWYPLB-NFAWXSAZSA-N 320.345 -0.094 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)c2n[nH]c(C)c2C)CC1 265203188 JRQSJTYYYVRUPD-UHFFFAOYSA-N 317.393 -0.076 30 20 DBED CC[C@@H](C#N)NC(=O)c1cc(C)c2c(=O)n(C)c(=O)n(C)c2n1 265640290 LSDBRUVGKUPBJV-VIFPVBQESA-N 315.333 -0.027 30 20 DBED C=CCNC(=O)CN1C(=O)NC2(CCC3(CC2)OCCO3)C1=O 269396952 WMIBYCZZSRVNQQ-UHFFFAOYSA-N 323.349 -0.104 30 20 DBED C=CCN1CC[C@@H](N(C)S(=O)(=O)[C@@H](C)C(=O)N(C)C)C1=O 281611739 SRLUQDXNPRTZOM-WDEREUQCSA-N 317.411 -0.488 30 20 DBED N#C[C@H]1CN(C(=O)C(F)(F)C(=O)N2CCOCC2)CCO1 296403982 UNKPUHGAYMMPRD-VIFPVBQESA-N 303.265 -0.769 30 20 DBED N#Cc1cncc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)c1 311929563 GCWXTCLNTSZLSU-VIFPVBQESA-N 301.349 -0.581 30 20 DBED CCN1CCN([C@@H]2CCN(/C(O)=N/[C@@H]3CC(=O)N(C)C3)C2)CC1 330157938 ZOASQXZGTCYFIF-ZIAGYGMSSA-N 323.441 -0.157 30 20 DBED CN(C[C@H](O)C(F)(F)F)/C(O)=N/CCN1C(=O)CCC1=O 330816479 CCRDEUPPHDTIGE-ZETCQYMHSA-N 311.260 -0.096 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCCCC(=O)N2)CC1 332223004 KXGLTAJECNGCMY-CYBMUJFWSA-N 322.409 -0.508 30 20 DBED COC(=O)c1cn(CC(=O)NC2(C#N)CCSCC2)nn1 339563584 XACHRJJNSKCAEC-UHFFFAOYSA-N 309.351 -0.030 30 20 DBED N#CCCN(CCN1CCOCC1)C(=O)[C@@H]1CCCC(=O)N1 340139344 WYHVAVJMMNMNPB-ZDUSSCGKSA-N 308.382 -0.270 30 20 DBED C=C(C)COCCNS(=O)(=O)c1cnn(CC(=O)OC)c1 353698902 ZBVZVWJJKBJSOY-UHFFFAOYSA-N 317.367 -0.073 30 20 DBED C=C[C@H](CO)NC(=O)NC[C@@H]1CCCCN1S(C)(=O)=O 359573629 WEWRAIILTIDWFB-MNOVXSKESA-N 305.400 -0.353 30 20 DBED CC1(C)[C@@H](O)C[C@@H]1NC(=O)C(=O)Nc1ccn(CCC#N)n1 426848578 PMOCEJCELWRUQI-UWVGGRQHSA-N 305.338 0.011 30 20 DBED COCCNS(=O)(=O)c1c[nH]c(C(=O)NCCC#N)c1 427608197 XDXGOXLSWYUHDN-UHFFFAOYSA-N 300.340 -0.417 30 20 DBED Cc1c(C#N)cccc1NC(=O)C(=O)NCCNS(C)(=O)=O 431848990 BSUJZYJWNZEBFA-UHFFFAOYSA-N 324.362 -0.529 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CCN(C)C2)CC1 490655937 FBXPEBLTUQRNMK-AWEZNQCLSA-N 306.410 -0.778 30 20 DBED C#CCN1CCN(C(=O)CSc2nnc(CC#N)n2C)CC1 490738673 CALFDBMAFFBMIE-UHFFFAOYSA-N 318.406 -0.249 30 20 DBED C#CCNC(=O)CN1CCN([C@@H]2CCN(CC=C)C2=O)CC1 491193185 WPFCXCAIAZGAQT-CQSZACIVSA-N 304.394 -0.860 30 20 DBED C#C[C@@H](C)N(C)S(=O)(=O)c1cnc2c(c1)c(O)nc(=O)n2C 491726695 AEAUAZSUHNKAKT-MRVPVSSYSA-N 322.346 -0.324 30 20 DBED COC(=O)[C@H](CC(C)C)NC(=O)Cn1cnc(C#N)cc1=O 566214409 IDEZBKIRJXYVOK-NSHDSACASA-N 306.322 -0.181 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N[C@H](C(=O)O)c1ccnn1C 567886831 XMDSIWRPQMGVQY-WPRPVWTQSA-N 315.355 -0.386 30 20 DBED CN(C)S(=O)(=O)N(C)CC(=O)N1CCSC[C@H]1C#N 575927531 GFMFILPGYCLBLE-SECBINFHSA-N 306.413 -0.808 30 20 DBED CN(Cc1cccc(C#N)c1)C(=O)C(=O)NC[C@H]1COCCN1 599961909 IXSQGZUBEARYFZ-AWEZNQCLSA-N 316.361 -0.379 30 20 DBED C#CC[C@@H](CO)NS(=O)(=O)N1CCC[C@@H]1C(=O)OCC 717812623 ALAMCCCSVBLSJC-WDEREUQCSA-N 304.368 -0.768 30 20 DBED C#CCCN1CCN(C(=O)C(C)(C)NS(C)(=O)=O)CC1 742058786 ACBKREIHBTUKAM-UHFFFAOYSA-N 301.412 -0.518 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1cnc(C)nc1N 767407791 PLJFINKGFWTJQD-ZETCQYMHSA-N 307.310 -0.076 30 20 DBED COCC(=O)N(C)CC(=O)NS(=O)(=O)CC(C)(C)C#N 776135437 DUUDXTKXCJYGNT-UHFFFAOYSA-N 305.356 -0.913 30 20 DBED Cn1cc(S(=O)(=O)NN=C2CCC2(C)C)c(=O)n(C)c1=O 789037057 HJDJMAIFKHMHQQ-UHFFFAOYSA-N 314.367 -0.462 30 20 DBED CC#CCS(=O)(=O)NC(=O)CCn1cc([N+](=O)[O-])cn1 791110393 CPOFOMJMSSPLGS-UHFFFAOYSA-N 300.296 -0.349 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)C(=O)C2CC2)C1=O 798609024 IRMBUDVOYWSTCJ-QMMMGPOBSA-N 308.290 -0.126 30 20 DBED CCc1oc(C=NNC(=S)NCC(N)=O)cc1C(=O)OC 800812592 IRYLYDMLADYBFY-UHFFFAOYSA-N 312.351 -0.088 30 20 DBED C#C[C@H](C)NC(=O)CNS(=O)(=O)c1c[nH]c2ncccc12 803122078 WYSRODYSRZEDAE-VIFPVBQESA-N 306.347 -0.021 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCN(C(C)=O)C[C@H]1C)[C@@H]1CCCO1 809308327 HNNRYMQKTBQGRM-XBFCOCLRSA-N 321.377 -0.637 30 20 DBED NC(=O)c1ccc(NN=Cc2ccc(S(N)(=O)=O)cc2)nn1 811644368 VTWHZQDWBVLRQD-UHFFFAOYSA-N 320.334 -0.331 30 20 DBED O=C(Cc1ccccc1)NCC(=O)N[C@@H]1CCCN(O)C1=O 816755196 VAMJWXUKUYNHLN-GFCCVEGCSA-N 305.334 -0.158 30 20 DBED C#CCn1cc(CNC(=O)c2cc(S(N)(=O)=O)c(C)o2)cn1 819536842 AYUBLIHNLSUPJC-UHFFFAOYSA-N 322.346 -0.005 30 20 DBED N#CCCCS(=O)(=O)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 826381751 XVGDOMOWXPDPBP-UHFFFAOYSA-N 309.311 -0.442 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)c2nccnc2C)CC1 826549268 DWXJCNKUNORTKS-UHFFFAOYSA-N 315.377 -0.318 30 20 DBED C#C[C@@H](NC(=O)c1cc(S(N)(=O)=O)cnc1C)[C@H]1CCCO1 847758828 ORNBLOXJZXPBKA-CHWSQXEVSA-N 323.374 -0.052 30 20 DBED CC(C)[C@](C)(C#N)NC(=O)COC(=O)C1(n2cnnn2)CC1 849993558 ADZKQJGWLZGWJD-LBPRGKRZSA-N 306.326 -0.240 30 20 DBED CN(C)S(=O)(=O)NCCNC(=O)c1cc(C#N)ccc1F 854431888 DBFWDDXGERWOPC-UHFFFAOYSA-N 314.342 -0.177 30 20 DBED C#CC[C@H](CO)NC(=O)c1ccc(S(N)(=O)=O)cc1F 854543679 FBBQEVJFGBLNMX-MRVPVSSYSA-N 300.311 -0.413 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N1CC[C@@](C)(C(=O)OC)C1 875597501 DPGNTRDCVSFNEJ-MLGOLLRUSA-N 324.377 -0.057 30 20 DBED N#CCCN1CCN(C(=O)C(=O)NCC2CCNCC2)CC1 884675136 STAKBOZJQLGQLG-UHFFFAOYSA-N 307.398 -0.840 30 20 DBED C=CCN1CC[C@H](OC(=O)Cn2ccc(C(=O)OC)n2)C1=O 885050859 PMVVNOGEAAUENJ-NSHDSACASA-N 307.306 0.000 30 20 DBED C#CCSCc1nc(-c2cn(CCO)c(=O)nc2O)no1 904850181 OWCKUWARYPLCSI-UHFFFAOYSA-N 308.319 -0.142 30 20 DBED Cc1cnn(C)c1C(=O)NC[C@@H]1CN(C(=O)[C@@H](C)C#N)CCO1 944727194 YGYPPFANKANABD-CMPLNLGQSA-N 319.365 -0.155 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(CC1)CN(C(=O)[C@@H]1CCC(=O)N1)C2 945031227 RYFDBZDJSJEKGQ-RYUDHWBXSA-N 318.377 -0.124 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1cn[nH]c1 950753973 PLOOQTQTOHLTDV-KBPBESRZSA-N 315.377 -0.162 30 20 DBED O=C1N[C@H](C(=O)N[C@H]2CCCN(C(=O)C#CC3CC3)C2)CO1 950760153 YUEFCXYKTOWILK-RYUDHWBXSA-N 305.334 -0.385 30 20 DBED C#CCCN1C[C@@H](O)[C@H](CNC(=O)c2cnc3[nH]nnc3c2)C1 958149182 OWOWUNUYASAXRK-DGCLKSJQSA-N 314.349 -0.601 30 20 DBED C#CCOc1ccc(C(=O)NC[C@@H]2CN(CCO)C[C@@H]2O)cc1 958452465 FMGLPGVCMANPTO-ZBFHGGJFSA-N 318.373 -0.287 30 20 DBED CC#CCN1C[C@H](O)[C@H](CNC(=O)c2c[nH]c(C)cc2=O)C1 958564652 XOWHVQHIMGNRLU-DOMZBBRYSA-N 303.362 -0.271 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCCO3)C[C@@H]2O)c1 962136147 BRYARZLFMWZCRR-FRRDWIJNSA-N 318.333 -0.633 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2CCC3(CN(C(C)=O)C3)O2)nn1 965535859 DJBRHLBSKLRKCR-LBPRGKRZSA-N 319.365 -0.026 30 20 DBED Cc1cnn(C)c1C(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 969807514 DKAUIEZVAMDYHT-OLZOCXBDSA-N 316.361 -0.557 30 20 DBED Cc1cc2[nH]c(=O)c(C(=O)N[C@@H](C)C3CN(CC#N)C3)cn2n1 970586418 LRMGQKGTEPMXFI-JTQLQIEISA-N 314.349 -0.095 30 20 DBED C#Cc1cncc(C(=O)N[C@H]2[C@@H]3CN(C(=O)c4cnon4)C[C@@H]32)c1 977158162 NFSJAJDELSPCJY-IMRBUKKESA-N 323.312 -0.054 30 20 DBED C=C(Cl)CN(C)[C@@H]1CCN(C(=O)Cn2c(O)nnc2O)C1 980264544 PXMKZJBBRANBNV-SECBINFHSA-N 315.761 -0.026 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)c3cnn[nH]3)C2)[nH]1 982649173 SLMYDRXINQUTGE-VIFPVBQESA-N 313.321 -0.103 30 20 DBED N#Cc1cc(C(=O)N2CC(NC(=O)CN3CCCC3=O)C2)c[nH]1 990189135 ZVJQYLNWRQTIML-UHFFFAOYSA-N 315.333 -0.551 30 20 DBED Cc1[nH]nc(C(=O)NC2CN(C(=O)c3cc(C#N)c[nH]3)C2)c1O 990866591 XEKNGESNWORPRB-UHFFFAOYSA-N 314.305 -0.122 30 20 DBED C#CCCN1CCC[C@@H](NC(=O)Cn2c(O)nnc2O)[C@H]1C 994294583 HLJMAYAZFDBTHY-GHMZBOCLSA-N 307.354 -0.318 30 20 DBED CC1(C)CN(C(=O)CN2C(=O)NC(=O)C2(C)C)C[C@H]1NCC#N 996486525 DYIQUHOUXDIFBN-SNVBAGLBSA-N 321.381 -0.333 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC(NC(=O)c2ncccn2)C1 998262831 YMTOQMZDKHZVKW-ZDUSSCGKSA-N 313.361 -0.485 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@]2(NC(=O)Cn3ncnn3)CCC[C@H]12 1014289918 BVRJGWYVTGDXAH-SUNKGSAMSA-N 317.353 -0.527 30 20 DBED C=CCN1CC[C@H](N2CCC3(CC2)C[C@H]3NC(=O)C(N)=O)C1=O 1016803609 OBPOZANBIWOBAM-NWDGAFQWSA-N 320.393 -0.771 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(C1)CN(C(=O)[C@@H]1CN(C)CCO1)C2 1018897988 USYUHTHPLHCSMP-STQMWFEESA-N 320.393 -0.462 30 20 DBED COCCN1C[C@@H](C(=O)NC[C@@H]2CCCN2CC#N)CC1=O 1027916347 JSOQILPKOHSTQO-STQMWFEESA-N 308.382 -0.415 30 20 DBED C=CCN1CC[C@@H](N2CC(CNC(=O)[C@@]34COC[C@@H]3C4)C2)C1=O 1031687478 BCZUDKXAPYUBFT-VBQJREDUSA-N 319.405 -0.142 30 20 DBED C#CCCN1CC(CNC(=O)c2cn([C@H]3CCOC3)nn2)C1 1032112749 ILEXCWDQALRSGD-ZDUSSCGKSA-N 303.366 -0.076 30 20 DBED N#Cc1ccc(CN2C[C@@H]3C[C@H]2CN3C(=O)C(N)=O)cc1F 1032596847 UXCZQRCEEARDET-RYUDHWBXSA-N 302.309 -0.032 30 20 DBED C=CCN1CCO[C@@H](CNC(=O)c2cnn3c(=O)cc[nH]c23)C1 1035536174 MYKQAJXJEINBSY-NSHDSACASA-N 317.349 -0.361 30 20 DBED Cn1cnn(CC(=O)N2CCC3(CC2)CN(CC#N)C3)c1=O 1035737303 YWOIQGJHTRHIND-UHFFFAOYSA-N 304.354 -0.970 30 20 DBED CC#CCN1CC[C@H]2CN(C(=O)c3nnc(O)nc3O)CC[C@@H]21 1036762453 KBDVIZTUBCCIGN-QWRGUYRKSA-N 317.349 -0.158 30 20 DBED N#Cc1ccc(CN2C[C@H]3C[C@H]2[C@@H]3NC(=O)C(N)=O)c(F)c1 1037566370 IHTDIVFMIQKKAB-KGYLQXTDSA-N 302.309 -0.128 30 20 DBED CC[C@@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)CC[C@H]1NCC#N 1037845189 NKXJHBSXZXERIH-GHMZBOCLSA-N 319.369 -0.883 30 20 DBED C#CCN[C@@H]1CCN(C(=O)CN2C(=O)CCC2=O)C[C@H]1CC 1037984581 HRHDDGAWWHDATB-CHWSQXEVSA-N 305.378 -0.015 30 20 DBED C#Cc1cncc(C(=O)NC[C@H]2CCN2Cc2nnnn2C)c1 1038685093 PXDZANVHBRBWIS-CYBMUJFWSA-N 311.349 -0.409 30 20 DBED O=C(C#CC1CC1)NC[C@]1(O)CCN(C(=O)c2ncccn2)C1 1039680500 HOUIXCQGLZIFTO-MRXNPFEDSA-N 314.345 -0.417 30 20 DBED C[C@H]1[C@@H](N=c2cc[nH]cc2C#N)CCN1C(=O)Cn1ncnn1 1040186908 OQJOCJYNMIRUED-JQWIXIFHSA-N 312.337 -0.537 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)CCn2ccnc2)C1 1040397365 STJCAYAMWJWLJW-SWLSCSKDSA-N 319.365 -0.488 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)Cc2cnoc2)C1 1040642601 YKGFDKFTWXLQJF-QMTHXVAHSA-N 306.322 -0.544 30 20 DBED C=CCCC(=O)N1CC[C@@](O)(CNC(=O)Cc2ncc[nH]2)C1 1040695278 QOEUZGVZPJQNOG-OAHLLOKOSA-N 306.366 -0.002 30 20 DBED C[C@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)CCc2cnc[nH]2)C1 1040765573 JJIJYQQBLVMTRR-ABAIWWIYSA-N 319.365 -0.418 30 20 DBED C[C@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)c2cncn2C)C1 1040767038 VWDANXPURKSEGN-QMTHXVAHSA-N 305.338 -0.727 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)c3cnccn3)C2)cn1 1040918172 LVLYMWSODCRTRW-ZIAGYGMSSA-N 310.317 -0.277 30 20 DBED N#Cc1nccc(N2C[C@@H](O)[C@H](NC(=O)Cc3ccc[nH]3)C2)n1 1041057538 GBDJFJJJRJPYCR-VXGBXAGGSA-N 312.333 -0.415 30 20 DBED C=CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)Cn2cccn2)C1 1041464098 GMHXTDBTOVPDTQ-GFCCVEGCSA-N 322.365 -0.836 30 20 DBED C[C@@H](C(=O)N1CC(O)(CNC(=O)CSCC#N)C1)C1CC1 1041568495 LXXSUUWTUBNYHA-SNVBAGLBSA-N 311.407 -0.021 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)c2cnc(C)[nH]2)C1 1042040557 UNPXBEYJQBZEBE-UHFFFAOYSA-N 308.338 -0.776 30 20 DBED Cn1nc(C(=O)N2CC[C@H]3CCN(CC#N)[C@H]3C2)ccc1=O 1042344003 QLQNZDQPTJVVCX-YPMHNXCESA-N 301.350 -0.160 30 20 DBED Cn1cnc(C(=O)NCC2(O)CN(C(=O)C#CC(C)(C)C)C2)n1 1042892748 BPOWNTUDNHBCOK-UHFFFAOYSA-N 319.365 -0.832 30 20 DBED O=C(C#CC1CC1)NCC1(O)CN(C(=O)Cc2ccc[nH]2)C1 1042963550 OOCHOVVZXJVDGZ-UHFFFAOYSA-N 301.346 -0.340 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2OCC)C1 1043033347 XNTDOGSRFSXDQJ-CHWSQXEVSA-N 324.377 -0.859 30 20 DBED C=CCCOCC(=O)NCC1(O)CN(C(=O)[C@H](C)COC)C1 1043565091 KWNOYLPLPUMMIA-GFCCVEGCSA-N 314.382 -0.449 30 20 DBED CCOCC1(C(=O)NCC2(O)CN(C(=O)C#CC3CC3)C2)CC1 1043611749 XANRVJOBIKMLDQ-UHFFFAOYSA-N 320.389 -0.094 30 20 DBED C=CCCN1CC(N(C)C(=O)CN2C(=O)C(=O)N(C)C2=O)C1 1043995891 JXPOTICLHCSMKU-UHFFFAOYSA-N 308.338 -0.874 30 20 DBED C=C[C@@H](CC)CC(=O)NCC1(O)CN(C(=O)Cc2nc[nH]n2)C1 1045064413 RBGFJMPNVMIOJL-NSHDSACASA-N 321.381 -0.361 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)[C@]2(C)CCCOC2)C1 1045362188 KCZUKRZIVQCGJJ-SMDDNHRTSA-N 309.366 -0.348 30 20 DBED Cc1cc(C(=O)N2CC(O)(CNC(=O)[C@@H](C)C#N)C2)ncn1 1045540820 MFLQPQCUEBIUAX-VIFPVBQESA-N 303.322 -0.752 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)C2(C)CCOCC2)C1 1045547208 XFBZVMMQIVUFDV-NSHDSACASA-N 309.366 -0.348 30 20 DBED CN1CCO[C@H](C(=O)N2CCN([C@H]3CCN(CC#N)C3)CC2)C1 1046014237 SAYYZILAXNILHP-GJZGRUSLSA-N 321.425 -0.941 30 20 DBED Cc1nonc1C(=O)N1CCN([C@H]2CCN(CC#N)C2)CC1 1046090498 WRDDZHLUWKCEPA-LBPRGKRZSA-N 304.354 -0.266 30 20 DBED CN(C(=O)c1cnc2nccn2c1)[C@H]1CN(CC#N)C[C@@H]1O 1047457413 VNZTVOYKXNUPFI-RYUDHWBXSA-N 300.322 -0.630 30 20 DBED C=CCOCC(=O)N(C)[C@H]1CN(C(=O)[C@@H](C)OCC)C[C@@H]1O 1048554648 CEHNVEMMNNFPSP-AGIUHOORSA-N 314.382 -0.356 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cnnn2CC)C1 1048797984 GDPGFISVWLOYQL-STQMWFEESA-N 321.381 -0.092 30 20 DBED C#CCOCCC(=O)N(C)[C@H]1CN(C(=O)c2ccco2)C[C@@H]1O 1048844583 NVTCSGOSTRGKST-STQMWFEESA-N 320.345 -0.037 30 20 DBED C#CCN1C[C@H]2CN(C(=O)[C@H]3CN4CC5CC4(CO3)C5)C[C@H]2C1 1048944323 SUHGGIORNSPHHN-OWQJAQGESA-N 315.417 -0.127 30 20 DBED C=CCCOCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)C#N)C1 1049407984 NIHGNUQCGFAZCU-AVGNSLFASA-N 309.366 -0.231 30 20 DBED N#Cc1nccnc1NC1CC(CNC(=O)[C@@H]2CNC(=O)N2)C1 1052072002 AVTSQQQEZVZECG-AMUVOQDHSA-N 315.337 -0.664 30 20 DBED C#CCCN1CCC[C@H](NC(=O)CN2CCC(=O)NC2=O)CC1 1052843642 FLIOZXBARWTFCZ-ZDUSSCGKSA-N 320.393 -0.078 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)c2nnn(C)n2)C[C@@H]1C 1053170433 DBMQMSCIAQZVFS-RYUDHWBXSA-N 318.381 -0.306 30 20 DBED N#Cc1ccc(N2CCN(C(=O)c3nccnc3N)CC2)nn1 1055753513 OJLKSXJBDNHHPE-UHFFFAOYSA-N 310.321 -0.317 30 20 DBED C=CCCC(=O)N[C@@]1(CO)CCCN(C(=O)[C@H]2CCNC2=O)C1 1055825462 IOQAOXQIWBWFDF-LRDDRELGSA-N 323.393 -0.442 30 20 DBED COCC(=O)N1CCC[C@](CO)(NC(=O)c2cc(C#N)c[nH]2)C1 1055863105 SONDMHXKTXDUQA-HNNXBMFYSA-N 320.349 -0.384 30 20 DBED Cc1c[nH]nc1C(=O)N[C@@]1(CO)CCCN(C(=O)[C@@H](C)C#N)C1 1055934314 CAOKKJLBYYYEJU-BONVTDFDSA-N 319.365 -0.039 30 20 DBED N#Cc1cncc(N2C[C@@H]3C(NC(=O)Cc4cc[nH]n4)[C@H]3C2)n1 1056164218 UQNRVFYTVDIKJB-RYUDHWBXSA-N 309.333 -0.135 30 20 DBED C#CCOCCC(=O)N1CCC[C@H]2[C@H]1CCN2C(=O)C(N)=O 1056401452 GSPPPTMWLRSAIA-NWDGAFQWSA-N 307.350 -0.897 30 20 DBED C=CC(C)(C)C(=O)NCCN(CCO)C(=O)[C@@H]1COCCO1 1057043934 PBPONYVJUXKWGS-LBPRGKRZSA-N 314.382 -0.449 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)CCc1ncc[nH]1 1057193590 KKSNBEBFQWXHRS-UHFFFAOYSA-N 324.381 -0.518 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)[C@@]12COC[C@@H]1C2 1057447325 VGYQXXNLXKRZNS-BBRMVZONSA-N 308.378 -0.237 30 20 DBED C=CCCOCC(=O)NCCN(CCO)C(=O)Cn1ccnc1 1057999109 UWTOMUUNCZYDDG-UHFFFAOYSA-N 324.381 -0.587 30 20 DBED CN1C[C@H](C(=O)N[C@@H]2CCN(c3ccc(C#N)cn3)C2)NC1=O 1058504225 JVYCNQWSZGUVML-VXGBXAGGSA-N 314.349 -0.328 30 20 DBED N#Cc1cnc(N2C[C@@H]3CC[C@H](C2)N3C(=O)Cn2nccn2)cn1 1058779169 CYWRLGZRGUKRTP-BETUJISGSA-N 324.348 -0.180 30 20 DBED C[C@@H](C#N)C(=O)NCC[C@@H]1CCN(C(=O)C2(NC(N)=O)CC2)C1 1059498211 VZLRPQVXEKWFTQ-WDEREUQCSA-N 321.381 -0.298 30 20 DBED CN1CC[C@H](C(=O)N[C@H]2C[C@@H](N=c3cc[nH]c(C#N)n3)C2)C1=O 1059786327 MYPKGZBKZRKPGZ-OUAUKWLOSA-N 314.349 -0.692 30 20 DBED C=CCCC(=O)NC[C@@H]1COCCN1C(=O)[C@@H](COC)OC 1061410881 VCAKNVRVVAMXEG-CHWSQXEVSA-N 314.382 -0.042 30 20 DBED C=CCOCC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1[C@H]2COC[C@H]21 1061419433 KPNMIGFUOCINNF-CXTNEJHOSA-N 324.377 -0.575 30 20 DBED C=CCOCC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1CCCO1 1061421024 HJXBBEWFTOSSRJ-STQMWFEESA-N 312.366 -0.288 30 20 DBED C=CCOCC(=O)NC[C@H]1COCCN1C(=O)Cn1cccn1 1061421410 OEEXHTAPSMGBRJ-ZDUSSCGKSA-N 322.365 -0.571 30 20 DBED Cn1nnc(C(=O)NC[C@H]2CCCN2c2ccc(C#N)cn2)n1 1061429516 YYVBYUJSBMMJTJ-LLVKDONJSA-N 312.337 -0.124 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)c1ccnc(O)c1 1061847507 LOIUYMYCDDPKEI-CMPLNLGQSA-N 318.333 -0.096 30 20 DBED Cc1c(C(=O)N[C@@H]2[C@H]3C[C@H]2N(c2ccc(C#N)nn2)C3)nnn1C 1064229418 IECILTGJYSUQLR-DRCTWCGVSA-N 324.348 -0.208 30 20 DBED Cc1cc(C#N)nc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)Cn2cncn2)n1 1064257035 NYMJBRQRLOKZEM-SCDSUCTJSA-N 324.348 -0.358 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)CN2C(=O)CCC2=O)CCC1 1064309612 ZELPXKXCBVJLDM-SNVBAGLBSA-N 320.349 -0.550 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(C(=O)[C@@]2(F)CCOC2)CCO1 1065501228 BUTZBTQDRDRZGV-XJKSGUPXSA-N 324.352 -0.128 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@H](NC(=O)[C@@H](C)OC)CC1 1065926797 CEPLCHIZCVRPQL-OLZOCXBDSA-N 323.393 -0.342 30 20 DBED C=CCOCC(=O)N1CCC[C@H](NC(=O)C2(C(N)=O)CC2)CC1 1066461357 YNNNUONLQRFRQZ-LBPRGKRZSA-N 323.393 -0.048 30 20 DBED COCC(=O)N1CCC[C@@](CO)(N=c2cc[nH]cc2C#N)C1 1066879813 QBHAHFSNUIXMMB-OAHLLOKOSA-N 304.350 -0.213 30 20 DBED C[C@@H]1CCN(c2ncc(C#N)cc2F)C[C@H]1NC(=O)C(N)=O 1067988930 IPBRILJIAPCOCT-LDYMZIIASA-N 305.313 -0.091 30 20 DBED COCC(=O)N1CC2(C[C@H](NC(=O)CSCC#N)CO2)C1 1068711281 SBTNQSDWPORCOH-JTQLQIEISA-N 313.379 -0.624 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@]2(CCN(C(C)=O)C2)C1 1069741098 JCTIWCYKLNAQHI-MRXNPFEDSA-N 305.378 -0.013 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)Cn2nccc2C)C1 1070042561 SCABDNATGXNFDG-KGLIPLIRSA-N 313.365 -0.542 30 20 DBED C=CCOCC(=O)N[C@@H]1CCCN(C(=O)[C@H]2CCC(=O)N2)C1 1070548421 MDQYFPXDCZWXNZ-VXGBXAGGSA-N 309.366 -0.425 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)CO[C@@H]4CCOC4)C[C@@]3(C1)O2 1070800252 WQCUGWHWYLVDHP-KLZNWCGWSA-N 320.389 -0.273 30 20 DBED COCCN1CCNC(=O)CCN(C(=O)C#CC2CC2)CC1 1070961046 JYEBAAQJADYPEO-UHFFFAOYSA-N 307.394 -0.303 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)c2cnnn2CC)CC1 1070961067 KZTPVKXAKNQBOU-UHFFFAOYSA-N 320.397 -0.252 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CCCN(C(=O)C2(C(N)=O)CC2)C1 1071219008 LROLSHAEKAYZRQ-NWDGAFQWSA-N 323.393 -0.050 30 20 DBED CC#CCN1C[C@@H](NC(=O)Cn2ccc(O)nc2=O)CC[C@H]1C 1071657643 AYHCYOXLECIZPS-OLZOCXBDSA-N 318.377 -0.059 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)c2ncc(OC)cn2)C1 1073690514 YDWAGBSTHWHEHK-CYBMUJFWSA-N 304.350 -0.061 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2cccc3c2OCCO3)C1 1077090374 XZQCMDBNSJKWNR-CHWSQXEVSA-N 302.330 -0.134 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2ccc3c(c2)OCC(=O)N3)C1 1077138798 OBSCQTTZYGFLHV-CHWSQXEVSA-N 315.329 -0.574 30 20 DBED C=CCN[C@H]1C[C@H]2CC[C@H]1N(C(=O)Cn1ncn(C)c1=O)C2 1078981662 ZTMYXQPFPIUUKQ-FRRDWIJNSA-N 305.382 -0.263 30 20 DBED C=CCOCC(=O)N1CC(N(CC)C(=O)CS(C)(=O)=O)C1 1079419702 UYOGTHPYPJFOCH-UHFFFAOYSA-N 318.395 -0.707 30 20 DBED C=CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)[C@H]2CCNC2=O)C1 1079982882 LQZWSALWFOTOOY-YPMHNXCESA-N 323.393 -0.227 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)c2ccnn2C)C[C@H]1O 1081463868 TUIIFXYVOHRBMX-GXTWGEPZSA-N 318.377 -0.371 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@@H]2CCc3nncn3CC2)[C@H](OC)C1 1081959735 VGKTXUXQHPHKRQ-MGPQQGTHSA-N 317.393 -0.321 30 20 DBED CN1C[C@H](C(=O)N2CCO[C@@H]3CN(CC#N)C[C@@H]32)CCC1=O 1083285393 PFPVUCQPKLLGJA-FRRDWIJNSA-N 306.366 -0.710 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)c2cn3c(n2)C[C@H](OC)CC3)C1 1083563742 CNQNXGYDCMILGV-BZPMIXESSA-N 320.393 -0.195 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCN(C(=O)CC)C2)C1 1083926734 KXNMKBXHJJOAKG-MCIONIFRSA-N 309.410 -0.018 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](NC(=O)CN2C(=O)CCC2=O)C1 1084040375 DTGGTEVOBJIOPE-NEPJUHHUSA-N 309.366 -0.737 30 20 DBED N#Cc1cnc(N2CC=C(CCNC(=O)C(N)=O)CC2)cn1 1089862575 WSDCACDARWYURF-UHFFFAOYSA-N 300.322 -0.524 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2c(C)nnn2CC)[C@H](O)C1 1090322815 NPCHMFNXGSHYBC-QWHCGFSZSA-N 305.382 -0.205 30 20 DBED Cn1nnc2cc(C(=O)N[C@H]3CCN(CC#N)C[C@H]3O)ccc21 1090358366 ADZXJNYMBTUKIC-SMDDNHRTSA-N 314.349 -0.343 30 20 DBED CCOCCCC(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1O 1090396040 UUJRJAQZBJLRLP-CHWSQXEVSA-N 319.365 -0.169 30 20 DBED CC(C)(C)n1cnc(C(=O)N[C@H]2CCN(CC#N)C[C@@H]2O)n1 1090568293 DUPCXYJJROADEC-QWRGUYRKSA-N 306.370 -0.278 30 20 DBED N#Cc1c[nH]ccc1=NC1CC(CNC(=O)CNC(N)=O)C1 1092186150 LINDFPAKLPDKGU-UHFFFAOYSA-N 302.338 -0.650 30 20 DBED CN(C)C(=O)CC(=O)NC1[C@H]2CN(c3cnc(C#N)cn3)C[C@H]12 1093354678 AZKUSVZBFJMUGW-QWRGUYRKSA-N 314.349 -0.623 30 20 DBED C=C(C)CN1CC(OC2CCN(C(=O)Cn3cnnn3)CC2)C1 1093505757 PSAQLKVZLRZYIF-UHFFFAOYSA-N 320.397 -0.059 30 20 DBED C=CCN1CC(n2cc(CNC(=O)c3cc(=O)n(C)o3)nn2)C1 1094287330 IARSWIUPQWLZBL-UHFFFAOYSA-N 318.337 -0.458 30 20 DBED CC#CCN1CC(N2C[C@H](NC(=O)C3=COCCO3)CC2=O)C1 1094699788 VKNXYNDMZVOQOT-GFCCVEGCSA-N 319.361 -0.701 30 20 DBED N#Cc1cncc(N[C@@H]2CCN(C(=O)CNC(=O)C3CC3)C2)n1 1095015485 MZJQHAQLDWIJHC-LLVKDONJSA-N 314.349 -0.113 30 20 DBED N#Cc1nccc(N2CCC(CNC(=O)CNC(N)=O)CC2)n1 1095338507 BIEYEPISZLAFJT-UHFFFAOYSA-N 317.353 -0.651 30 20 DBED C[C@@H](CC(=O)NCCCN(C)c1cncc(C#N)n1)NC(N)=O 1095640376 NIDJYKKQCUTBAH-JTQLQIEISA-N 319.369 -0.262 30 20 DBED CS(=O)(=O)CC(=O)N[C@H]1CCN(c2ccc(C#N)nn2)C1 1096342836 KWMIZENTDOSRJG-JTQLQIEISA-N 309.351 -0.912 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H](C)Nc1nccc(OC)n1 1097768338 KIBSJNXVTCQFQZ-JTQLQIEISA-N 305.338 -0.459 30 20 DBED C[C@@H](CNC(=O)CN1CCOCC1=O)Nc1ncccc1C#N 1098355699 IZIPYCITLZJBBA-NSHDSACASA-N 317.349 -0.271 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)c2ccco2)[C@H](O)C1 1099624396 QLEGNCZTMRTISQ-VXGBXAGGSA-N 307.350 -0.253 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2cscn2)[C@@H](O)C1 1099716331 UOWCJTZLVQUVQL-AAEUAGOBSA-N 309.391 -0.042 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CCc2nccn2C)[C@@H](O)C1 1099928098 IHXHAILTFZFCJX-KGLIPLIRSA-N 304.394 -0.073 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)CC(C)(F)F)[C@@H](O)C1 1099992305 XJPPWHFXGLZXDU-MNOVXSKESA-N 319.352 -0.115 30 20 DBED CN(CCNC(=O)[C@H]1CCNC(=O)C1)c1nccnc1C#N 1100006380 ADNPACWCJLXZCU-JTQLQIEISA-N 302.338 -0.573 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)c2nc(C)c[nH]2)[C@H](O)C1 1100029537 POKHGLZZLKWIKA-VXGBXAGGSA-N 321.381 -0.815 30 20 DBED CCc1nc(C#N)cc(N(C)CCNC(=O)[C@@H]2CCNC2=O)n1 1100270203 KAQHLFUXYMEQOS-LLVKDONJSA-N 316.365 -0.401 30 20 DBED CN(CCNC(=O)[C@H]1CNC(=O)N1)c1ncc(C#N)cc1F 1100292679 LMZXYJGWBZAJSP-SNVBAGLBSA-N 306.301 -0.674 30 20 DBED CNC(=O)NCC(=O)NCCN(C)c1cc(C)ncc1C#N 1100376996 ITBVPDANOSVAKL-UHFFFAOYSA-N 304.354 -0.257 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1100587686 WABDFFASTVHHQF-KJZWCNOPSA-N 305.378 -0.887 30 20 DBED CN(C)C(=O)CC(=O)NC[C@H]1CCCN1c1ccc(C#N)nn1 1100913450 IXNBGODBUHUMLK-GFCCVEGCSA-N 316.365 -0.088 30 20 DBED C=CCO[C@H](C)C(=O)NCC1CC(NCC(=O)NCC#N)C1 1101057181 IPAGDNLFTFKGEF-PNESKVBLSA-N 308.382 -0.298 30 20 DBED COCCO[C@@H](C)C(=O)N(C)CCN=c1cc[nH]c(C#N)n1 1101766099 QGPOZAWJOABHBE-NSHDSACASA-N 307.354 -0.308 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1CCNC(=O)c1cc[nH]n1 1102687262 SUQAHRBKRUTONC-VXGBXAGGSA-N 318.381 -0.263 30 20 DBED C[C@H](NC(N)=O)C(=O)N(C)[C@@H]1CCN(c2ccc(C#N)nn2)C1 1102697688 LVYWJRPYZABABO-GXSJLCMTSA-N 317.353 -0.558 30 20 DBED C#CCOCCC(=O)NCC[C@@H]1CN([C@@H]2CCNC2=O)C[C@H]1C 1102972581 PTVLVMXICUMSAT-RBSFLKMASA-N 321.421 -0.011 30 20 DBED C[C@H](NC(N)=O)C(=O)N1CCC[C@@H]1CN=c1cc[nH]cc1C#N 1103801046 OMCFQQZHWLTSES-CMPLNLGQSA-N 316.365 -0.165 30 20 DBED C[C@H](CNC(=O)[C@@H]1CC(=O)N(C)C1)CNc1ccc(C#N)nn1 1104254919 QZVQPBIPOACLQW-WDEREUQCSA-N 316.365 -0.009 30 20 DBED CC(C)(O)CC(=O)NC[C@H]1CN(c2cncc(C#N)n2)CCO1 1104308459 LQCGPJGIXDWUPX-LBPRGKRZSA-N 319.365 -0.169 30 20 DBED Cc1ocnc1C(=O)N1CC(n2cc(CNCC#N)nn2)C1 1105178915 YRCVVMDOEPTTPO-UHFFFAOYSA-N 301.310 -0.115 30 20 DBED C=CCNCc1cn(C2CN(C(=O)Cc3ncc[nH]3)C2)nn1 1105349225 FWGGPJBOWWHERB-UHFFFAOYSA-N 301.354 -0.097 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](O)CNC(=O)[C@@H]2CCCN2C)n1 1105754568 HIKZEXSZPBCEAE-STQMWFEESA-N 318.381 -0.360 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)c2nccnc2N)nc1 1105765998 MTZFTSZEKKMZFK-SNVBAGLBSA-N 313.321 -0.472 30 20 DBED CCn1ccnc1C(=O)NC[C@@H](O)CN=c1cc[nH]cc1C#N 1105802417 MTXSKFPJEUTGFH-LBPRGKRZSA-N 314.349 -0.206 30 20 DBED N#Cc1cncc(NC[C@H](O)CNC(=O)C2CCC(O)CC2)n1 1105804015 JGLIRJUKZLCXER-GDKBPFBDSA-N 319.365 -0.212 30 20 DBED N#Cc1nccnc1NC[C@H](O)CNC(=O)[C@H]1CCCCO1 1105820016 QFLUNMOCFGFRNO-CMPLNLGQSA-N 305.338 -0.194 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)Cc2ncc[nH]2)nn1 1105937188 GACWDXTZHACTNP-SNVBAGLBSA-N 301.310 -0.797 30 20 DBED C=CCOCC(=O)N1C[C@@H](C)[C@H](CNCC(=O)NCC#N)C1 1105942980 UCLNVRQNXXSUJA-CHWSQXEVSA-N 308.382 -0.487 30 20 DBED C[C@@H]1[C@H](C(=O)NC[C@@H](O)CNc2ccc(C#N)nn2)CCN1C 1106153127 QPYRLUUTLSCKGB-KGYLQXTDSA-N 318.381 -0.423 30 20 DBED C[C@@H](CCNc1ccc(C#N)nn1)NC(=O)Cn1nccn1 1106460938 ZNSNNDKDBPPJQU-JTQLQIEISA-N 300.326 -0.053 30 20 DBED CCC(=O)NCC(=O)NC/C=C/CN=c1cc[nH]cc1C#N 1107078490 KANXXNQJDUHWOU-ONEGZZNKSA-N 301.350 -0.014 30 20 DBED CC#CCN1CC(n2cc(CNC(=O)CN(C)C(C)=O)nn2)C1 1107132183 MIJRLNYGPNIIBI-UHFFFAOYSA-N 318.381 -0.747 30 20 DBED C=CCOCC(=O)NCc1cn(C2CN(CCOC)C2)nn1 1107147265 XFDRSIMTDHRSFQ-UHFFFAOYSA-N 309.370 -0.400 30 20 DBED N#Cc1ccc(NC/C=C/CNC(=O)[C@@H]2CNC(=O)N2)cn1 1107490340 ZWAFOHCSCHNJTE-ISUDXETCSA-N 300.322 -0.281 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)c2cc(OC)ncn2)C1 1107947025 AVPGXGFIXWKLNY-OAHLLOKOSA-N 304.350 -0.061 30 20 DBED C[C@H](CS(C)(=O)=O)C(=O)NC[C@@]1(C)CN(CC#N)CCO1 1108424883 UJUGWEOOYHFCCB-YPMHNXCESA-N 317.411 -0.602 30 20 DBED C#CCN1CCN(C(=O)CCC(F)F)[C@@H]2CS(=O)(=O)C[C@@H]21 1108476353 LINVKQUZCJSMCA-WDEREUQCSA-N 320.361 -0.025 30 20 DBED C[C@H](CN(C)c1ccnc(C#N)n1)NC(=O)C[C@@H]1CCNC1=O 1109114342 JRZIUIWHZUPJLB-MNOVXSKESA-N 316.365 -0.185 30 20 DBED C[C@@H](CN(C)c1ccnc(C#N)n1)NC(=O)[C@H]1CCN(C)C1=O 1109183961 QBQWNIVTLGLQGS-WDEREUQCSA-N 316.365 -0.233 30 20 DBED CC(C)(C(N)=O)C(=O)N[C@H]1[C@H]2C[C@H]1N(c1cncc(C#N)n1)C2 1109728455 QDRYJPZKWUVYHA-XRNSZHNASA-N 314.349 -0.447 30 20 DBED COc1ccnc(N2CC[C@@](O)(CNC(=O)[C@@H](C)C#N)C2)n1 1111041535 IYJLJELEEYMUMA-IINYFYTJSA-N 305.338 -0.298 30 20 DBED N#Cc1cncc(N2CC[C@](O)(CNC(=O)[C@H]3CCOC3)C2)n1 1111043224 AEWJGXVJKWSHMU-NHYWBVRUSA-N 317.349 -0.558 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1111176425 IQAZOBMYJHPQII-USWWRNFRSA-N 300.322 -0.484 30 20 DBED COCCC(=O)N[C@]1(CO)CCCN(c2cnc(C#N)cn2)C1 1111329907 OAHFGUZLCBMEHE-OAHLLOKOSA-N 319.365 -0.168 30 20 DBED Cc1ncoc1C(=O)N(CCO)CCN=c1cc[nH]c(C#N)n1 1111448942 GGSNAUPRDJRSCV-UHFFFAOYSA-N 316.321 -0.387 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H]1COCCN1c1ncc(F)cn1 1111700022 HNMDKQJMVWHTFG-YPMHNXCESA-N 322.340 -0.025 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)Cc2cncs2)CC1 1112990022 VTHTUEGZZVTRAK-UHFFFAOYSA-N 307.379 -0.530 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CC(=O)N(C)C1)N(C)c1ccc(C#N)nn1 1113943762 MZTZREKUYIAIPK-WDEREUQCSA-N 316.365 -0.233 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)c3ccc(C#N)[nH]3)[C@H]2C1 1114143362 NBTILWHEJYPJBI-RYUDHWBXSA-N 313.361 -0.151 30 20 DBED C#CCO[C@H](C)C(=O)NC1[C@@H]2CN(CCn3cccn3)C[C@@H]12 1114263523 WPOIHSUKJCXHNI-MGPQQGTHSA-N 302.378 -0.032 30 20 DBED N#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@H]3CC34CCC4)[C@H]2C1 1114889170 UVBWJCSEFDUGAH-CZXHOFHRSA-N 302.378 -0.137 30 20 DBED C[C@@H](CCCN=c1cc[nH]c(C#N)n1)NC(=O)c1nnn(C)n1 1115053174 XCYMSYXRSMYYMV-VIFPVBQESA-N 315.341 -0.696 30 20 DBED C[C@H](CCCNc1cnc(C#N)cn1)NC(=O)[C@H]1CNC(=O)N1 1115062531 VISABQKGZZGLKT-MWLCHTKSSA-N 317.353 -0.274 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)c3cnn(C)c3OC)[C@@H]2C1 1115172041 KZKCCLXYAMRZNK-CHWSQXEVSA-N 318.377 -0.262 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCC[C@@H](c2ncc[nH]2)C1 1117395373 JYHIPZJSNJYYNL-GFCCVEGCSA-N 304.350 -0.118 30 20 DBED CCn1cccc(CNC(=O)C(=O)N2CCO[C@@H](C#N)C2)c1=O 1117667352 SDPGKQOQJMWKLM-LBPRGKRZSA-N 318.333 -0.765 30 20 DBED C#CCN(C)C(=O)C(=O)N1CCN(c2ccc(C#N)nc2)CC1 1119087403 LOVRPQIQCWZMBP-UHFFFAOYSA-N 311.345 -0.307 30 20 DBED Cn1cc(C(=O)NC[C@@H](CO)Nc2ncccc2C#N)cn1 1121025477 RSGXODGXFVTFIQ-LBPRGKRZSA-N 300.322 -0.110 30 20 DBED CCNC(=O)CCC(=O)NC[C@H](CO)Nc1ccc(C#N)cn1 1121206588 YHBPGDQKSKCSTK-GFCCVEGCSA-N 319.365 -0.241 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](CO)Nc1nc(O)c2cnn(C)c2n1 1121212778 JBKHJBNYRUWNDT-SFYZADRCSA-N 319.325 -0.882 30 20 DBED Cn1nccc1CC(=O)NC[C@@H](CO)Nc1ccc(C#N)cn1 1121411763 HMLIJDHTHKTXNL-LBPRGKRZSA-N 314.349 -0.182 30 20 DBED CCNC(=O)CC(=O)NC[C@@H](CO)Nc1ccc(C#N)nc1 1121464323 KZYONGHUDREJKJ-LBPRGKRZSA-N 305.338 -0.632 30 20 DBED Cc1nccn1CC(=O)NC[C@H](CO)Nc1ccc(C#N)nn1 1121598369 KGXZPUWYXWMCTJ-GFCCVEGCSA-N 315.337 -0.558 30 20 DBED CC(C)[C@H](C(=O)NC[C@H](CO)Nc1ccc(C#N)nn1)N(C)C 1121840319 RIPCWVLDSPGGHD-TZMCWYRMSA-N 320.397 -0.177 30 20 DBED CN(C)CCCCC(=O)NC[C@@H](CO)Nc1nccnc1C#N 1121847609 RAMWALVYEXXEBH-LBPRGKRZSA-N 320.397 -0.031 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](CO)Nc1cnc(C#N)cn1 1122592368 AALDIQCNNMLTFA-XQQFMLRXSA-N 317.349 -0.172 30 20 DBED N#Cc1cncc(N[C@H](CO)CNC(=O)Cc2cnc[nH]2)n1 1122620285 DDQDGPOSMILOGH-NSHDSACASA-N 301.310 -0.797 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]cc1C#N)C(=O)c1ncccn1 1124456538 WYOILLAJZVRZRP-LBPRGKRZSA-N 312.333 -0.290 30 20 DBED C=CCOCC(=O)NCCNCCN1C(=O)NC(C)(C)C1=O 1124778849 VGAYKZVGRHASDF-UHFFFAOYSA-N 312.370 -0.775 30 20 DBED Cn1ccc(N2CC[C@H](NCCNC(=O)C#CC3CC3)C2=O)n1 1126880874 DYOFJGZEKDRPHG-ZDUSSCGKSA-N 315.377 -0.355 30 20 DBED COCC#CCNCCNC(=O)CCNC(=O)c1ccncc1 1128631670 DABBZEDXVKEOKZ-UHFFFAOYSA-N 318.377 -0.443 30 20 DBED N#CCNC(=O)CNCCNC(=O)C12CCCN(CCC1)C2 1130166310 GBTQVPQDCZUFEJ-UHFFFAOYSA-N 307.398 -0.792 30 20 DBED CO[C@H]1C[C@@H](c2n[nH]c(CNC(=O)[C@@H](C)C#N)n2)N(CCO)C1 1130258495 SNCVAHFHTGINEC-DCAQKATOSA-N 322.369 -0.665 30 20 DBED C=CCNC(=O)CN1C[C@H]2C[C@@H]3CN(C(=O)COC)C[C@@]3(C1)O2 1131164710 SFJZGKZTEIEMPF-XJKCOSOUSA-N 323.393 -0.763 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)[C@H](COC)OC)C[C@@]3(C1)O2 1131264281 MAOBNKUVNFJYKB-KNCOVGOOSA-N 308.378 -0.417 30 20 DBED COC[C@@H](C)CC(=O)N1CCC(=O)NCCN(CC#N)CC1 1131390694 MHCKBGUATPCURP-ZDUSSCGKSA-N 310.398 -0.167 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)[C@H]1C[C@H](C)CO1 1131527714 ZVYICALNSWHTPJ-WDEREUQCSA-N 312.370 -0.871 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H](C)O[C@@]2(CCN(CC)C2)C1 1131653504 SUZODCRGCIIPAX-XJKSGUPXSA-N 307.394 -0.162 30 20 DBED C[C@H]1CC[C@H](NC(=O)Cc2cnoc2)CN1CC(=O)NCC#N 1132235936 VPRQYSVYYXTYLP-AAEUAGOBSA-N 319.365 -0.174 30 20 DBED C=C(C)CN(CC)C(=O)CNCCNC(=O)c1c[nH]c(=O)cn1 1133016101 OWUJTIYSCJNUPD-UHFFFAOYSA-N 321.381 -0.486 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)CCN(C)C)CC[C@H]1C 1133090197 DHVOFQJEJAGQMB-HUUCEWRRSA-N 322.453 -0.238 30 20 DBED C[C@@H]1CCN(C(=O)c2nc[nH]n2)C[C@H]1CNCC(=O)NCC#N 1133181813 ITOIJHUYRYPIDU-GHMZBOCLSA-N 319.369 -0.868 30 20 DBED C[C@H](C[C@@H](C)NC(=O)c1cncnc1O)NCC(=O)NCC#N 1134727142 ZMKRNYTWGKMYKI-NXEZZACHSA-N 320.353 -0.692 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@H](CC(=C)C)NC(C)=O 1134812161 GIZSMTSYPGUPCR-ZDUSSCGKSA-N 310.398 -0.535 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)CCc2cn[nH]c2)C1=O 1135049752 LTELXSWTSGLHHB-ZDUSSCGKSA-N 305.382 -0.165 30 20 DBED Cc1nc(C(=O)N[C@@H](C)C[C@H](C)NCC#N)nn1-c1nc[nH]n1 1135140745 SSSIMBJNKRWWDX-IUCAKERBSA-N 317.357 -0.296 30 20 DBED C=CCn1cc(C(=O)N[C@@H](C)C[C@H](C)NCC(=O)NC)nn1 1135639896 SYHMEHCCTCHRFS-QWRGUYRKSA-N 308.386 -0.303 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@@](C)(NC(C)=O)C1CC1 1147459052 NKNIPSFBXVJVNT-BZNIZROVSA-N 322.409 -0.865 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)c1cccnn1)C2 1148471758 OBCGQJWNRKEHPI-UHFFFAOYSA-N 313.361 -0.626 30 20 DBED C=CCNC(=O)[C@H](C)N1CCC2(CN(C(=O)c3cnon3)C2)C1 1148472196 ZZGHWOPAVDNBLT-NSHDSACASA-N 319.365 -0.092 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(Cc2nnn(C)n2)CCCO1 1149639171 KYDCQYNZHPKEOE-ZDUSSCGKSA-N 320.397 -0.279 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@](C)(NC(C)=O)C(C)C 1152899088 NGVSOXNJNWYZSV-BLLLJJGKSA-N 324.425 -0.619 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@@H]1CC(=O)N[C@@H](CC)C1 1163073640 NMCMLZXTGHTRRE-STQMWFEESA-N 324.425 -0.311 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@@H](CC)N(CC)CC 1166432787 ODLKEVUPIZQYBJ-CQSZACIVSA-N 310.442 -0.048 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)c1cc(C(N)=O)c[nH]1 1169298349 IOWVIOYSZUTSMK-JTQLQIEISA-N 321.381 -0.486 30 20 DBED C#CCNC[C@H]1C[C@H]2CC[C@H]1N(C(=O)CN(C)C(=O)COC)C2 1177783285 UVRYRZSFFSXJOE-RBSFLKMASA-N 321.421 -0.059 30 20 DBED CCn1nccc1C(=O)N1CC[C@H](NCC(=O)NCC#N)[C@@H]1C 1178537847 GPDPPOLOMGXNAL-RYUDHWBXSA-N 318.381 -0.265 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2cncnc2O)[C@H]1C 1178956835 ASDBLFGLPACZRK-JQWIXIFHSA-N 317.349 -0.876 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](NCCCS(=O)(=O)N(C)C)C1 1181661476 HNGMKAODTICMNL-NWDGAFQWSA-N 316.427 -0.382 30 20 DBED C#CCCCC(=O)N1CC[C@@H](N[C@@H](C)C(=O)NC(=O)NC)C1 1182220622 NFSIJFHDDACWDQ-NWDGAFQWSA-N 308.382 -0.176 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@@H](NCC(=O)N2CCOCC2)C1 1182505478 ZNXWYRCQLCGZNA-UONOGXRCSA-N 323.393 -0.926 30 20 DBED C[C@@H]1CN(C(=O)Cn2c(O)nnc2O)CC[C@H]1CNCC#N 1185576248 ZQPRVAXNUOBBQQ-ZJUUUORDSA-N 308.342 -0.713 30 20 DBED C#CCN(C)[C@@H]1CCN(C(=O)CS(=O)(=O)N(CC)CC)C1 1192633012 UOLRWNTVFDGITB-CYBMUJFWSA-N 315.439 -0.176 30 20 DBED CC(C)(C)C#CC(=O)N[C@@H]1CN([C@H]2CCC(=O)NC2=O)C[C@H]1O 1192870627 DAULKHJAABFXQB-GRYCIOLGSA-N 321.377 -0.998 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN([C@H](C)C(=O)N(C)C)C[C@H]1O 1199308458 VVKLIKRGJQOIRH-JHJVBQTASA-N 313.398 -0.783 30 20 DBED C=CCOCCNC[C@@H]1CN(C(=O)c2cn(C)nn2)CCCO1 1200420371 RGQUKYHXCOWIQG-CYBMUJFWSA-N 323.397 -0.162 30 20 DBED CC(C)C#CC(=O)N1CCCO[C@@H](CNCCOCCO)C1 1200469919 QRQPAKGFLXOPHQ-HNNXBMFYSA-N 312.410 -0.138 30 20 DBED C#CCNC[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N(C)C2)CCCO1 1202155482 ZFAKJCAVSXODTG-ZIAGYGMSSA-N 307.394 -0.305 30 20 DBED C#CCN[C@@H]1C[C@@H](NC(=O)CNS(=O)(=O)CC)C12CCC2 1202996857 UBRPSUWCNKMVHI-VXGBXAGGSA-N 313.423 -0.424 30 20 DBED C=CCN[C@H]1C[C@H]2CC[C@H]1N(C(=O)CNS(=O)(=O)NC)C2 1204606221 FOFQEADXHNHJJY-GRYCIOLGSA-N 316.427 -0.805 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)[C@@H]2CC(=O)N(C)C2)[C@H](C)C1 1207273778 GZBGKIFZMWIALN-JHJVBQTASA-N 322.409 -0.797 30 20 DBED CN(CC(=O)N1CCC[C@H](NCC(=O)NCC#N)C1)C1CCC1 1208340782 PTRUCZMUDHIKSR-ZDUSSCGKSA-N 321.425 -0.309 30 20 DBED COCC#CCN[C@@H]1CCCN(C(=O)c2nnc(O)nc2O)C1 1208497517 CEJRQVSCDAUNDL-SNVBAGLBSA-N 321.337 -0.873 30 20 DBED Cn1cncc1CC(=O)N1CCC[C@H](NCC(=O)NCC#N)C1 1210669549 YJGJAIABWOFQIB-LBPRGKRZSA-N 318.381 -0.817 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2cnnn2C)C[C@H]1OC 1212262591 UAWQHPHOAKENBX-ZIAGYGMSSA-N 321.381 -0.830 30 20 DBED N#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)CCC2CCCC2)C1 1219119377 WZAMBTICTBCFHQ-KGLIPLIRSA-N 322.409 -0.242 30 20 DBED C=CCCC(=O)N[C@@H]1CN(CCNS(=O)(=O)CC)C[C@@H]1O 1219344883 ZUYPYRLBCYNJQU-NEPJUHHUSA-N 319.427 -0.947 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(Cc2cc(C)n(C)n2)C[C@@H]1O 1219364022 UIYRSBREAHIELE-KGLIPLIRSA-N 308.382 -0.408 30 20 DBED COCCc1noc(CN2C[C@H](O)[C@H](NC(=O)[C@H](C)C#N)C2)n1 1219378919 JBCZPGJGAONQKE-MXWKQRLJSA-N 323.353 -0.921 30 20 DBED C=CCOCCCC(=O)N[C@@H]1CN([C@@H](CC)C(N)=O)C[C@@H]1O 1219426874 SIYKEPUQDWYLAG-AGIUHOORSA-N 313.398 -0.606 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)CCC2CCC2)C1 1219438976 CVCPVYNXPKFTEK-CFVMTHIKSA-N 321.421 -0.134 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)CO[C@H](C)CC)C1 1219476009 LVJOFTIZHDFWTF-UPJWGTAASA-N 313.398 -0.735 30 20 DBED CCCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 1219476187 RJYXZBOKXMDFFM-OLZOCXBDSA-N 319.365 -0.813 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2cnsn2)C[C@@H]1O 1219609116 CCPUAXJOWJXDBQ-NEPJUHHUSA-N 310.379 -0.761 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2nc(C)oc2C)C[C@@H]1O 1219609120 CEDMQTHWPVUJAQ-CABCVRRESA-N 321.377 -0.007 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)[C@@]2(CC)CCNC2=O)C1 1219826356 UAUGXMRTWUYRTA-SUNKGSAMSA-N 315.801 -0.184 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)[C@]2(F)CCOC2)C1 1220212965 CWAGFASFEZVRKZ-DYEKYZERSA-N 302.346 -0.521 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)C(C)(C)NC(=O)NCCC)C1 1221071840 KYIDBRUDXZTGBN-OLZOCXBDSA-N 324.425 -0.341 30 20 DBED Cc1n[nH]cc1C(=O)N1C[C@H]2CCN(CC(=O)NCC#N)C[C@H]21 1221724509 PLTPJFGAJYZROK-DGCLKSJQSA-N 316.365 -0.496 30 20 DBED N#CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3n[nH]cc3F)[C@@H]2C1 1221795058 HEHYEOXLIBLZKO-MWLCHTKSSA-N 320.328 -0.665 30 20 DBED N#CCNC(=O)CN1CC[C@@H]2CN(C(=O)Cc3cnc[nH]3)[C@@H]2C1 1221835381 JDAAWEDASOZJKE-DGCLKSJQSA-N 316.365 -0.875 30 20 DBED Cc1nc[nH]c1C(=O)N1CCC[C@@H](NCC(=O)NCC#N)C1 1222141484 AHXGSOFWHHTYEX-LLVKDONJSA-N 304.354 -0.448 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)[C@@H](OC)C1CC1 1234051415 VBBWWWLJEWRABR-HIFRSBDPSA-N 307.394 -0.307 30 20 DBED C=CCN(C)C(=O)C(=O)N[C@H]1CCN(CCN2CCOCC2)C1 1258476302 TUDVTFZLAHQIMW-AWEZNQCLSA-N 324.425 -0.847 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N(CCO)C1CCC1 1261181303 TWIGGLCCJRGLKT-UHFFFAOYSA-N 318.395 -0.923 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N=c1nc[nH]n1C(C)C 1261828421 JYQXLLZLSMHOPY-LLVKDONJSA-N 307.354 -0.236 30 20 DBED C=CCNC(=O)Cn1nnnc1N1CCC[C@@H](NC(C)C)C1 1262409845 LQVLOEHKRYNXTM-GFCCVEGCSA-N 307.402 -0.058 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)NC1CCN(CCOC)CC1 1321996991 IQAPCYYMEBMXES-GFCCVEGCSA-N 313.398 -0.469 30 20 DBED C[C@@H]1C(=O)NCCN1C(=O)C(=O)NCc1ccc(C#N)cc1 1322410147 RMPWZGFYXJZEGU-SNVBAGLBSA-N 300.318 -0.479 30 20 DBED CS(=O)(=O)[C@@H]1CCC[C@@H](NC(=O)C(=O)NCCCC#N)C1 1323384580 ZQRLQFANWUMKGR-GHMZBOCLSA-N 315.395 -0.122 30 20 DBED C[C@@H](NC(=O)C(=O)NCC1(CC#N)CC1)[C@H]1CN(C)CCO1 1323863357 LVIJOEWHLVPRLZ-VXGBXAGGSA-N 308.382 -0.368 30 20 DBED CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)C(=O)NCCCC#N)O1 1323987691 KWZTYVKIVNERBO-MNOVXSKESA-N 310.354 -0.842 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N1C[C@@H](C)[C@](C)(CO)C1 1327473426 NXOUWIMXAYODEV-CJNGLKHVSA-N 310.394 -0.038 30 20 DBED C=C(Br)CNC(=O)C(=O)NC[C@@H]1COCCO1 1328611096 HNHIOQWBSOEGPK-MRVPVSSYSA-N 307.144 -0.457 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCN(CC)C1=O 1329957382 JXMACMITGUAPCE-AGIUHOORSA-N 323.393 -0.179 30 20 DBED CCN(CCN)C(=O)C(=O)N1CCC(C#N)(C(=O)OC)CC1 1330200509 NVKFSFRPJWIIOH-UHFFFAOYSA-N 310.354 -0.901 30 20 DBED COC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)CC1 1332058689 WFIUFOHHPOHGEK-WDEREUQCSA-N 308.338 -0.295 30 20 DBED C[C@H]1CCCN(C(=O)CCNC(=O)NCC(=O)NCC#N)C1 1342044695 NNSCGZZCNBQRPZ-NSHDSACASA-N 309.370 -0.426 30 20 DBED C=C(C)Cn1c(N2CCN(C)C(=O)C2)nnc1[C@@](C)(O)COC 1346583738 WAXYUNOAFHHFQH-HNNXBMFYSA-N 323.397 -0.014 30 20 DBED C=CCOCCNC(=O)C(=O)N(C)[C@@H](C)CN1CCOCC1 1346713160 HSIQWFXDFIMNFZ-ZDUSSCGKSA-N 313.398 -0.516 30 20 DBED N#Cc1cccc(NC(=O)C(=O)N2CCC(O)(CO)CC2)c1 1350204019 CYJJCYGGZNWBRB-UHFFFAOYSA-N 303.318 -0.157 30 20 DBED C=CCNC(=O)Cn1nnnc1N1CCN(C(=O)C2CC2)CC1 1352315099 RRYSXAAGVCZCRK-UHFFFAOYSA-N 319.369 -0.966 30 20 DBED Cn1c(=O)[nH]c(N2CCC[C@H](N3CCCC3=O)C2)c(C#N)c1=O 1365217586 VYZWQOOBTCMYSG-JTQLQIEISA-N 317.349 -0.464 30 20 DBED CC(=O)N1C[C@H]2CN(C(=O)NCCn3cnc(C#N)n3)C[C@H]2C1 1365586258 GPWOULRCGIIFBQ-TXEJJXNPSA-N 317.353 -0.731 30 20 DBED CC[C@H](OC)C(=O)NCCN1CCN(C(=O)[C@H](C)C#N)CC1 1372209299 NDJDFEUBFJDGKP-OLZOCXBDSA-N 310.398 -0.169 30 20 DBED CC(C)[C@H](CNC(=O)CNC(=O)C1CC1)NC(=O)[C@@H](C)C#N 1375960445 UIFMCIVQNYIUGV-JQWIXIFHSA-N 308.382 -0.071 30 20 DBED Cc1nonc1CC(=O)NCCN(C)c1ccc(C#N)nn1 1387829621 ZYJKPSKUEYEZLD-UHFFFAOYSA-N 301.310 -0.165 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCC(=O)N1C)NC(=O)c1cc(C#N)c[nH]1 1392751559 TUDCDLYAJGZDKA-JOYOIKCWSA-N 317.349 -0.258 30 20 DBED N#Cc1cn(CCNC(=O)Cc2cccc(O)c2)c(=O)nc1O 1413313720 XGHYZIBHLGTVKL-UHFFFAOYSA-N 314.301 -0.115 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)CCc2cn[nH]c2)C1 1414048432 OSBQWCXWGCMZBK-JLLWLGSASA-N 305.338 -0.810 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1n[nH]c2c1CCCC2 1416777423 GOPRCMRRHODTII-NXEZZACHSA-N 319.365 -0.345 30 20 DBED C[C@@H](CNC(=O)CCC(=O)N1CCOCC1)NC(=O)[C@H](C)C#N 1416940344 NXJJJBHEAQGQRX-NEPJUHHUSA-N 324.381 -0.594 30 20 DBED C=C(Cl)CNC[C@H]1CN(C(=O)Cn2ncnn2)CCO1 1424221827 RLPIGMJRDYXLPZ-JTQLQIEISA-N 300.750 -0.757 30 20 DBED CCc1cc(NC(=O)Cn2cc(C#N)c(O)nc2=O)n(C)n1 1433712521 XOUWOILGZOYMJO-UHFFFAOYSA-N 302.294 -0.245 30 20 DBED Cn1cc(C(=O)NC2(CNC(=O)c3cc(C#N)c[nH]3)CC2)nn1 1433863432 BDDUANUWEKSKQR-UHFFFAOYSA-N 313.321 -0.293 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)c2cn(C)cn2)C1 1434334030 WDTCLWYMTRLRKI-YGRLFVJLSA-N 305.338 -0.727 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@H]1C(=O)OCC1(C)C 1434576642 LPWNAPCJBTUHBF-JTQLQIEISA-N 319.383 -0.366 30 20 DBED CCN(CCC#N)C(=O)CNC[C@H](C)NC(=O)[C@@H]1CCC(=O)N1 1445640558 IRRQUKCRFITNRV-RYUDHWBXSA-N 323.397 -0.879 30 20 DBED C=C(Br)CNC[C@@H](O)CN(C)C(=O)CNC(C)=O 1486256221 AWKLGRWDVRLPTK-SNVBAGLBSA-N 322.203 -0.560 30 20 DBED CNC(=O)NCC(=O)N1CCC[C@H](N(C)C(=O)[C@@H](C)C#N)C1 1495381091 AIPLIGNGJZGWKK-QWRGUYRKSA-N 309.370 -0.476 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCNC(=O)[C@H]1CCc2nncn2C1 1528262590 PSYMNRVPRLEFSJ-QWRGUYRKSA-N 304.354 -0.425 30 20 DBED C#CCO[C@H](C)C(=O)NC1(CC(=O)O)CCS(=O)(=O)CC1 1573311449 QNBUNHYYGXELOF-SNVBAGLBSA-N 317.363 -0.437 30 20 DBED C=CCN1CC[C@H](NC[C@@H](NC(=O)CNC(=O)O)C2CC2)C1=O 1573369300 XSMMUJYUSJOHPW-NWDGAFQWSA-N 324.381 -0.475 30 20 DBED C=CCCC[C@@H](NC(=O)Cn1ccc(=O)n(C)c1=O)C(=O)O 1588794175 NJNYCXFIQVWDHS-SNVBAGLBSA-N 309.322 -0.527 30 20 DBED Cn1cc([C@@H]2C[C@H](C(=O)O)CN(C(=O)NCC#CCO)C2)cn1 1594540755 QFAUUUYKWXCZMP-NEPJUHHUSA-N 320.349 -0.385 30 20 DBED CO[C@@]1(C(=O)O)CCN(S(=O)(=O)c2ccc(C#N)cn2)C1 1599079227 QZCVBNUJRAGAIO-LBPRGKRZSA-N 311.319 -0.183 30 20 DBED N#CCNC(=O)CNC1(CNC(=O)[C@@H]2C[C@@H]2C(=O)O)CCCC1 1601074662 LGVJCVPAEQCWRI-MNOVXSKESA-N 322.365 -0.635 30 20 DBED N#Cc1ccc(NCC(=O)N2CCC[C@H](O)[C@@H]2C(=O)O)nc1 1601108319 MEOGBFAKMZOGKT-GXFFZTMASA-N 304.306 -0.198 30 20 DBED C#C[C@H]1CCCCN1C(=O)C(=O)NC[C@H]1CCO[C@H]1C(=O)O 1602676895 LZRZDPXNGYXEBY-GRYCIOLGSA-N 308.334 -0.393 30 20 DBED C#CCNC(=O)C1CCN(c2cncc(-c3nn[nH]n3)n2)CC1 1602722574 YZAJJHFDBIEEPO-UHFFFAOYSA-N 312.337 -0.378 30 20 DBED C=CCS(=O)(=O)CCN1C(=O)N[C@H](CCC(=O)O)C1=O 1602924929 LSQVMKNOFPVTQP-MRVPVSSYSA-N 304.324 -0.628 30 20 DBED C[C@@H](C#N)CNC(=O)C(=O)Nc1cccc(-c2nn[nH]n2)n1 1602983513 KSOVJMLHZJLVRT-ZETCQYMHSA-N 300.282 -0.524 30 20 DBED CC(C)NC(=O)CN(C)c1cnc(C#N)c(-c2nn[nH]n2)n1 1603337446 KQTWFNMWWMAZNO-UHFFFAOYSA-N 301.314 -0.511 30 20 DBED Cc1cc(-c2nn[nH]n2)nc(N2CCN(C(=O)CC#N)CC2)n1 1605562606 IRPHASXMTREVNG-UHFFFAOYSA-N 313.325 -0.473 30 20 DBED N#Cc1c[nH]c(C(=O)N2CCN(C(=O)[C@H]3C[C@@H]3C(=O)O)CC2)c1 1608195097 GDQRBYPMFVYPPZ-QWRGUYRKSA-N 316.317 -0.109 30 20 DBED N#Cc1ccc([C@@H](C(=O)O)N2CCN3C(=O)NC(=O)[C@@H]3C2)cc1 1608199922 RREWOGQRGTZRMT-RYUDHWBXSA-N 314.301 -0.080 30 20 DBED Cn1c(N2CCN(CCC#N)CC2)nnc1[C@@]1(C)CNC(=O)C1 1646690083 PHMRSNCSBNNKQP-OAHLLOKOSA-N 317.397 -0.372 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1C[C@@H](NC(=O)CSCC#N)C1 1752715188 DYJDYVZUGIRVKT-UTUOFQBUSA-N 308.407 -0.382 30 20 DBED C=CCn1cc(C(=O)N[C@H]2C[C@@H](N[C@@H](C)C(=O)NC)C2)nn1 1752766751 OYUGLCYIILPLKL-GARJFASQSA-N 306.370 -0.551 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H](C)CNC(=O)c1cc(C)nnc1C 1752875587 WAEAHOXFKCRNKN-WCQYABFASA-N 317.393 -0.061 30 20 DBED CCN(C(=O)C[C@@H](C)OC)[C@H]1CCN(CC(=O)NCC#N)C1 1753453179 MMCNFKLUNVOTPL-OLZOCXBDSA-N 310.398 -0.026 30 20 DBED C[C@@](CNCC#N)(NC(=O)CCn1cc[nH]c(=O)c1=O)C1CC1 1753525508 AYDYZSCAMYOZNG-HNNXBMFYSA-N 319.365 -0.675 30 20 DBED C#CCOCCC(=O)N(C)[C@H](C)CN[C@@H]1CCC(=O)NC1=O 1753689433 MMKOZMCSMJFFGR-VXGBXAGGSA-N 309.366 -0.732 30 20 DBED C=CCCC(=O)NC[C@H](O)CNCC1CCS(=O)(=O)CC1 1753907861 VPRMDNVXNIWFBA-CYBMUJFWSA-N 318.439 -0.156 30 20 DBED N#CCNC(=O)CNC[C@@H](NC(=O)C[C@H]1COC(=O)C1)C1CC1 1754441192 RIMGDRVYTUZQGD-ZYHUDNBSSA-N 322.365 -0.936 30 20 DBED C=CCN1CC[C@H](NC2(CNC(=O)[C@H](C)NC(C)=O)CC2)C1=O 1754507817 JWYZACJZVRRTQO-AAEUAGOBSA-N 322.409 -0.464 30 20 DBED C#CCNC(=O)[C@H](C)NC1(CNC(=O)c2n[nH]cc2C)CC1 1754514024 NFUPDQBIMJTPGY-NSHDSACASA-N 303.366 -0.292 30 20 DBED C=CCN1CC[C@@H](N2CC(O)(CNC(=O)[C@H](C)C#N)C2)C1=O 1754765022 VBCKWNFYXFTAHR-VXGBXAGGSA-N 306.366 -0.904 30 20 DBED N#CCNC[C@H]1CN(C(=O)c2cc3n(n2)CCCO3)CCO1 1755005707 PNIJWJJQEFYSDW-NSHDSACASA-N 305.338 -0.380 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)[C@H](NC(N)=O)C(C)(C)C)CCO1 1755014159 DTYIWOCDEMEPTP-OLZOCXBDSA-N 324.425 -0.090 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)CN(C)C(=O)C3CC3)CO2)C1 1755062114 VMLXEDBWRAXVRU-ZDUSSCGKSA-N 305.378 -0.553 30 20 DBED C#CCCN[C@]1(CO)CCCN(C(=O)[C@H](C)S(C)(=O)=O)C1 1755086513 SYEVVNUUESUSIT-GXTWGEPZSA-N 316.423 -0.614 30 20 DBED C#Cc1ccc(C(=O)N[C@H](C)[C@H](C)NCC(=O)NC(N)=O)cn1 1755263590 NRCPBXUJLAWXSX-VHSXEESVSA-N 317.349 -0.646 30 20 DBED Cc1ccc([C@@H](C)C(=O)NC[C@@H](CO)NCC(=O)NCC#N)o1 1755640761 PXIOWELDEILJBQ-NEPJUHHUSA-N 322.365 -0.602 30 20 DBED C#CCOCCC(=O)N[C@@H](CO)CNC(=O)c1cccnc1 1756500974 IIKRRADQEJVWGA-CYBMUJFWSA-N 305.334 -0.672 30 20 DBED C=CCC(C)(C)C(=O)N[C@H](CO)CNC(=O)c1cnn(C)c1N 1756513084 AFQHCMRVQNCLCN-JTQLQIEISA-N 323.397 -0.189 30 20 DBED C=CCOCC(=O)NC[C@@H](CO)NC(=O)c1cnnc(C)c1 1756519187 SLHJEAPMVCYPKK-LBPRGKRZSA-N 308.338 -0.805 30 20 DBED C#CCOCCC(=O)N[C@H]1C[C@@H](C)N(C(=O)c2[nH]nnc2C)C1 1756598207 NNGHLARQQWLPPF-PWSUYJOCSA-N 319.365 -0.128 30 20 DBED C#CCCCC(=O)N1CCC[C@H](NC(=O)Cn2cnnn2)[C@H]1C 1756618907 ROFYGVJAAXUMAM-OLZOCXBDSA-N 318.381 -0.028 30 20 DBED C=CCOCC(=O)NC[C@H](O)CN(C)C(=O)c1cc(F)c[nH]1 1756671494 YKLLEGPNSLCJIN-NSHDSACASA-N 313.329 -0.095 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@H]2CN(C(=O)c3cnn[nH]3)C[C@H]21 1756958330 MKJDQGIYAXOBSZ-NTZNESFSSA-N 317.349 -0.484 30 20 DBED C#CCCCC(=O)N1CC[C@H](NC(=O)Cn2ncnn2)[C@H]1CC 1757443784 FNLMWTIGIPRGLU-QWHCGFSZSA-N 318.381 -0.028 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)Cn1cccn1)CCO2 1783049393 WHMVLPLRCWVNPK-OAHLLOKOSA-N 302.334 -0.654 30 20 DBED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCCC3)[C@H]2C1 1783590490 AWFMYDMKHKICTQ-KKUMJFAQSA-N 319.405 -0.305 30 20 DBED C[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CC#N)C2)n1cnnn1 1803086974 NEHVPAPOSPNIAP-YFKTTZPYSA-N 317.353 -0.214 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)[C@@H](C)CN)C1 1842866579 GQNZWSLWPDDKCM-STQMWFEESA-N 307.394 -0.177 30 20 DBED C#CCNS(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1 24371937 UVDDKUPLBADXPU-UHFFFAOYSA-N 302.377 -0.152 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(CC(=O)N2CCCC2)CC1 42627248 OTIGRKOWONQEPN-CQSZACIVSA-N 306.410 -0.636 30 20 DBED N#CCc1ccc(OC[C@H](O)CN2CCO[C@H](C(N)=O)C2)cc1 51581906 TYIVQHHIFFRUDS-HIFRSBDPSA-N 319.361 -0.322 30 20 DBED CCCN(CC#N)CC(=O)NCCCN(C)S(C)(=O)=O 58921529 DNYRVSNWZLFFAZ-UHFFFAOYSA-N 304.416 -0.380 30 20 DBED C#CCN1CCN(C(=O)CNC2(C(=O)OC)CCCC2)CC1 133667971 RGZPFZDMQGSHBP-UHFFFAOYSA-N 307.394 -0.161 30 20 DBED Cn1c(=O)c2c(ncn2CC(=O)OCC(C)(C)C#N)n(C)c1=O 180179522 XCJSFSNSZUWHMZ-UHFFFAOYSA-N 319.321 -0.473 30 20 DBED C#CCNC(=O)CN1CCN(c2cc(Cl)nc(N)n2)CC1 264269969 GCLLQBCDSMJUEM-UHFFFAOYSA-N 308.773 -0.416 30 20 DBED C=CCCOCCNC(=O)CCn1cc(S(N)(=O)=O)cn1 270282954 UKAIHJSGYCTCQF-UHFFFAOYSA-N 316.383 -0.371 30 20 DBED C=CCS(=O)(=O)CCNC(=O)CCSCC(=O)OC 272968820 RHXGNKFUOISFDW-UHFFFAOYSA-N 309.409 0.000 30 20 DBED N#Cc1ccc(NC(=O)C(=O)N2CC(=O)N(CC3CC3)C2)nc1 294490594 XTTBDEBKIMTRFU-UHFFFAOYSA-N 313.317 -0.070 30 20 DBED CN1CCN(C)[C@H](C/N=C(/O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 330161659 TZWSCNCDNWMUFA-WCQYABFASA-N 320.397 -0.035 30 20 DBED COCCN1CN(C(O)=Nc2c(C)ccn(C)c2=O)CC1=O 330437779 NUWOYGXEXPWKPI-UHFFFAOYSA-N 308.338 -0.013 30 20 DBED C[C@H](C(=O)N(C)CC(=O)N1CC(O)(CC#N)C1)n1cccn1 331373423 JPJRGYAJTPJKDD-LLVKDONJSA-N 305.338 -0.611 30 20 DBED Cc1cnccc1CCNS(=O)(=O)N1CCO[C@@H](C#N)C1 336953924 XASVDMYXZAQGCE-ZDUSSCGKSA-N 310.379 -0.009 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[C@@](C)(C(N)=O)C1 337157663 QBWQWJFVHSASBG-ZYHUDNBSSA-N 302.400 -0.090 30 20 DBED COCCN1CN(C(=O)C(=O)Nc2ccc(C#N)cn2)CC1=O 340434416 HXVAOURHYMXRIA-UHFFFAOYSA-N 317.305 -0.834 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N[C@H]1CCN(C(=O)CC)C1 360314374 AWJICXSSXBQSGI-LBPRGKRZSA-N 311.382 -0.226 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N1CCSC[C@H]1C(N)=O 407972217 FMCBRNXLKRJCGQ-BDAKNGLRSA-N 306.413 -0.632 30 20 DBED N#Cc1ccc(OC2CN(C(=O)C(=O)N[C@H]3CCNC3)C2)cc1 419888625 RHSRXMNFPXIOJQ-LBPRGKRZSA-N 314.345 -0.374 30 20 DBED N#CCCC[C@@H](N)C(=O)NCCS(=O)(=O)NCC1CCC1 424111315 AJOXUQYNKJGQNR-GFCCVEGCSA-N 316.427 -0.157 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2C[C@H]3CCNC[C@H]3C2)nn1 424549542 RNOQRNFRXVJAQE-NEPJUHHUSA-N 318.381 -0.852 30 20 DBED C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(CC)C(=O)[C@@H]1C 425899056 NMKQIHPXKVAGEQ-AVGNSLFASA-N 323.393 -0.227 30 20 DBED C=CC[C@H](CO)CNC(=O)NCC1CN(S(=O)(=O)CC)C1 439941039 MSCNPRALRRPLGR-NSHDSACASA-N 319.427 -0.248 30 20 DBED C#C[C@H](NS(=O)(=O)CCCS(=O)(=O)N(C)C)C(C)C 490983557 AMHOLRMLHVKSDI-NSHDSACASA-N 310.441 -0.155 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2c(C)ccn2C)CC1 491617750 CKQABGFCFYHFTB-UHFFFAOYSA-N 302.378 -0.159 30 20 DBED N#Cc1ccc(OC[C@H](O)CN2CC[C@@H](CO)[C@H](O)C2)cc1 570884023 JGSABOATFUSEDY-SQWLQELKSA-N 306.362 -0.027 30 20 DBED N#CCC1(CS(=O)(=O)N2CC[S@@](=O)C[C@H]2C(=O)O)CC1 578327175 SQSHYDVOGZZAKB-ZRNGKTOUSA-N 320.392 -0.472 30 20 DBED C=CCNC(=O)c1ccc(N2CCN3C(=O)[C@H](N)C[C@H]3C2)nc1 578766869 JKTJPFKQBVJTSD-QWHCGFSZSA-N 315.377 -0.254 30 20 DBED C[C@H]1CCN(C(=O)C(=O)NC2CCN(CC#N)CC2)[C@@H]1CO 588125987 VYXPHJMPVMHBLF-WCQYABFASA-N 308.382 -0.680 30 20 DBED C[C@@]1(O)CCCN(C(=O)C(=O)N2CCN(CCC#N)CC2)C1 601464466 OKXULHJMEMWJCX-OAHLLOKOSA-N 308.382 -0.582 30 20 DBED N#CCCN1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3)CC1 601584125 RPYBEPRYKJRNQI-KGLIPLIRSA-N 319.409 -0.603 30 20 DBED Cc1cc(C(=O)NCC#CCNC(=O)c2cc(C)[nH]n2)n[nH]1 680339355 FCQHSSZMFACWPD-UHFFFAOYSA-N 300.322 -0.087 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCN(CCn2cncn2)CC1 749397661 QRINDJAFXIVBDH-HNNXBMFYSA-N 316.409 -0.480 30 20 DBED CCN1CCN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)CC1=O 756740329 QRKRWWFGAAIAPA-PFONDFGASA-N 320.349 -0.406 30 20 DBED CC[C@H](C#N)OC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 781186191 MZEHMIRFQPDHHZ-SSDOTTSWSA-N 314.323 -0.763 30 20 DBED CN1CC[C@@H](C(=O)OCc2cc(O)n3ncc(C#N)c3n2)C1=O 784787900 NUNOLCIGGJDLRR-SNVBAGLBSA-N 315.289 -0.172 30 20 DBED C#CCC[C@H](O)CNC(=O)NC[C@@H]1CC[C@@H](C(=O)N(C)C)O1 798451027 WZNWGJGXLHQTCM-AVGNSLFASA-N 311.382 -0.304 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)OC[C@H]2CCCO2)CC1 804986782 QICKMMRYBKSQFD-CYBMUJFWSA-N 309.366 -0.331 30 20 DBED C#C[C@H](NC(=O)C(=O)N(C)CCc1cnccn1)[C@H]1CCCO1 809312097 XSKYARVCBDDNMW-UONOGXRCSA-N 316.361 -0.226 30 20 DBED N#Cc1ccc(NCCNC(=O)[C@@H]2CC(=O)NC(=O)N2)nc1 821459352 HAZHMSQREVBVKO-VIFPVBQESA-N 302.294 -0.921 30 20 DBED C=CCNC(=O)CNCc1cnc2ccc(-c3nn[nH]n3)cn12 823919236 ALWNZKHSMOYBDW-UHFFFAOYSA-N 312.337 -0.094 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NN1C(=O)[C@@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C1=O 828650895 QCUDXWLAXJKWFO-OHUUWBQVSA-N 304.302 -0.453 30 20 DBED N#C[C@H]1CN(C(=O)[C@H](CO)NC(=O)c2cccc(F)n2)CCO1 845447543 DKKMWWJEKJDUNS-ONGXEEELSA-N 322.296 -0.938 30 20 DBED C#CCC[C@H](O)CNC(=O)[C@H](NS(=O)(=O)C1CC1)C(C)C 847160946 PLXBHXMEPRRAPG-WCQYABFASA-N 316.423 -0.017 30 20 DBED CC(C)[C@@H](NS(C)(=O)=O)C(=O)N[C@@H]1CCCN(O)C1=O 848135800 QOVQCRDQASDOKM-RKDXNWHRSA-N 307.372 -0.943 30 20 DBED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCOC2=O)cc1 849212370 DXPMPXHRZUPGNE-LBPRGKRZSA-N 322.342 -0.357 30 20 DBED CCN(C[C@H](C)C#N)C(=O)CN(CC(N)=O)C1CCOCC1 880392580 GRZYOLBPBCPGJI-GFCCVEGCSA-N 310.398 -0.039 30 20 DBED C[C@H](C#N)N(C)C(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C 891115462 AHTCGBSVQUFCFC-MRVPVSSYSA-N 303.322 -0.440 30 20 DBED COCC(=O)N1CCN(C(=O)c2cccc(C#CCO)c2)CC1 900237729 PONUBYQVKZINGT-UHFFFAOYSA-N 316.357 -0.039 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@H]2OCCO[C@H]2C)CC1 929567517 JOBGJVYYJHUARO-JSGCOSHPSA-N 311.382 -0.763 30 20 DBED Cn1cnc(C(=O)N2CC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)n1 940061056 RQHMTBJBUNAGFC-SNVBAGLBSA-N 313.321 -0.341 30 20 DBED C#CCN1CCOC2(CCN(C(=O)[C@@H]3CN(C)C(=O)N3)CC2)C1 949433194 HZOCKTNBGGJANH-ZDUSSCGKSA-N 320.393 -0.663 30 20 DBED C[C@@H](NC(=O)c1ccc(C#N)[nH]1)[C@@H]1CCCCN1C(=O)C(N)=O 953649381 OFFHOFQWEJYCTC-SKDRFNHKSA-N 317.349 -0.129 30 20 DBED C=CCn1cc(C(=O)N2CC[C@@H](NC(=O)C(N)=O)C[C@@H]2C)nn1 955697099 XYFZMXIXTDIZFW-VHSXEESVSA-N 320.353 -0.941 30 20 DBED C#Cc1cncc(C(=O)N2CC[C@H](NC(=O)C(N)=O)C[C@H]2C)c1 955813444 CHPKIYSPEWEVAC-MFKMUULPSA-N 314.345 -0.343 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cnc(C)nc2OC)C1 958121803 MEQXPFGMVQUUNY-WCQYABFASA-N 304.350 -0.551 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](CNC(=O)c2cnc3[nH]nnc3c2)C1 958149110 NTOYIRFOBCSWLX-DGCLKSJQSA-N 316.365 -0.049 30 20 DBED N#Cc1ccc(C(=O)N2C[C@H]3C[C@@H](NC(=O)C(N)=O)C[C@H]2C3)[nH]1 958149221 OXXXUBSKIBHLGU-JMJZKYOTSA-N 315.333 -0.519 30 20 DBED C#CCN1C[C@H](CNC(=O)c2cn(C)c(C)cc2=O)[C@@H](O)C1 958150841 ATTAUUIHWJIJCM-WFASDCNBSA-N 303.362 -0.651 30 20 DBED Cc1c(C(=O)NC[C@@H]2COCCN2C(=O)[C@H](C)C#N)nnn1C 964129906 PRLJYIVXLHCVDH-MWLCHTKSSA-N 320.353 -0.760 30 20 DBED CCn1ncc(C(=O)NC[C@@H]2COCCN2C(=O)[C@@H](C)C#N)n1 964181172 QSIFIFQKFIGSPR-WDEREUQCSA-N 320.353 -0.585 30 20 DBED C=C1CCC(C(=O)NC[C@H]2COCCN2C(=O)CC(N)=O)CC1 964337384 WBFIRCNDRVWLDU-ZDUSSCGKSA-N 323.393 -0.048 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(C[C@H](NC(=O)c3cnccn3)CO2)C1 965621522 DJHAFFSLFKMUBO-QWRGUYRKSA-N 315.333 -0.264 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)c2cnn3c2CCC3)C1 967037100 YVOOBKJVCURGSM-NDMJEZRESA-N 317.349 -0.710 30 20 DBED C=CCN1CCCCC[C@@H]1CNC(=O)c1cn(CC(N)=O)nn1 969155505 AHUTZXATFCNOSF-GFCCVEGCSA-N 320.397 -0.076 30 20 DBED C#CCCN1CC([C@H](C)NC(=O)c2nccnc2C(N)=O)C1 970852425 YOBBINWKRABHDQ-JTQLQIEISA-N 301.350 -0.351 30 20 DBED CC#CCN1C[C@H]2CC[C@H]1CN2C(=O)[C@H]1CCS(=O)(=O)N1 972122184 FBUUCVRSVUGTQK-YNEHKIRRSA-N 311.407 -0.623 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]2CCN(C(=O)Cc3nc[nH]n3)C[C@@H]21 976052984 XMGZDPFFLUFROW-SRVKXCTJSA-N 316.365 -0.044 30 20 DBED C=C[C@](C)(CC)C(=O)N1C[C@H]2[C@H](NC(=O)[C@H]3CNC(=O)N3)[C@H]2C1 977082099 FFYDZCHFVKCSTA-OYFAQSGBSA-N 320.393 -0.157 30 20 DBED C[C@H]1CCN(C(=O)C(=O)N[C@H]2[C@@H]3CN(C(=O)[C@@H](C)C#N)C[C@@H]32)C1 977228909 ADEKKFVUQCPXHF-JZRPKSSGSA-N 318.377 -0.413 30 20 DBED C#CCN1C[C@@H](NC(=O)CN2CCC(=O)NC2=O)C(C)(C)C1 977443414 CKIRUBKOLNORBO-LLVKDONJSA-N 306.366 -0.612 30 20 DBED Cn1cc(C(=O)N[C@@H]2CCC[C@H](NCC#N)C2)c(O)nc1=O 981519293 ZQEIVCCUUGKNOG-VHSXEESVSA-N 305.338 -0.360 30 20 DBED C=CCN[C@@H]1C[C@H](C)N(C(=O)CN2C(=O)C(=O)N(C)C2=O)C1 989513369 CQMPHUILCBDDTB-VHSXEESVSA-N 308.338 -0.828 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN(C(=O)CC2(O)CCC2)C1 994751125 NFUYPUAYUDWGNY-AWEZNQCLSA-N 319.405 -0.284 30 20 DBED C[C@H](C#N)C(=O)N1CC(NC(=O)c2cc(C(N)=O)ccn2)C1 995324647 NBWVSYNGYDZANJ-MRVPVSSYSA-N 301.306 -0.719 30 20 DBED C=CCn1cccc1C(=O)N1CC(NC(=O)[C@@H]2CCC(=O)N2)C1 997119202 LNNMEHMSGHLBIJ-LBPRGKRZSA-N 316.361 -0.107 30 20 DBED C#Cc1cncc(C(=O)NC2CN(C(=O)[C@@H]3COC(=O)N3)C2)c1 999305014 TWDAPJZHMQTEQG-LBPRGKRZSA-N 314.301 -0.888 30 20 DBED C=CCCn1cc(C(=O)NCC2=CCN(CC(N)=O)CC2)nn1 1001244985 KIHVHOAWJFAJLX-UHFFFAOYSA-N 318.381 -0.299 30 20 DBED C=CCn1cc(C(=O)NCC2CCN(CC(N)=O)CC2)nn1 1001919476 WTFFFDBQAQYFHG-UHFFFAOYSA-N 306.370 -0.609 30 20 DBED C#CCN1CCC(CNC(=O)[C@H]2COCCN2C(C)=O)CC1 1002137484 AWRPPPUHFBHTKV-OAHLLOKOSA-N 307.394 -0.305 30 20 DBED CCn1cc(C(=O)NCC2[C@@H]3CN(C(=O)[C@@H](C)C#N)C[C@@H]23)nn1 1009464977 VESVGPLRJRBBBC-DLOVCJGASA-N 316.365 -0.108 30 20 DBED CC(=O)N1CCO[C@@H](C(=O)NC[C@@H]2CCCN(CC#N)C2)C1 1023728634 AFMXNDHIGZQVQF-UONOGXRCSA-N 308.382 -0.415 30 20 DBED N#CCN[C@@H]1CC[C@H]2CN(C(=O)Cn3ccc(O)nc3=O)C[C@H]21 1026307315 VYNNMVJWFUREPP-QJPTWQEYSA-N 317.349 -0.701 30 20 DBED C=CCN1CC[C@H](N2CCC[C@H]2CNC(=O)c2nc[nH]n2)C1=O 1028211406 PRTBDIMBKVYJTP-RYUDHWBXSA-N 318.381 -0.214 30 20 DBED C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)CN1CCN(C)C(=O)C1 1032485507 RXLKJSVMHZAYDP-KBPBESRZSA-N 304.394 -0.931 30 20 DBED C#CCN1CCC2(CCN(C(=O)Cn3ncn(C)c3=O)CC2)C1 1035202649 QVKSNGCIRNOVJO-UHFFFAOYSA-N 317.393 -0.471 30 20 DBED CCOc1cnc(C(=O)NC[C@@H]2CN(CC#N)CCO2)cn1 1035627197 KIVSYUVVGQYAJG-LLVKDONJSA-N 305.338 -0.171 30 20 DBED C=CCn1cc(C(=O)N2CC[C@@H]3[C@H](CCN3CC(N)=O)C2)nn1 1036837844 OZTZPMFFYYWRTK-DGCLKSJQSA-N 318.381 -0.514 30 20 DBED N#CCN1CC[C@@H]2CN(C(=O)C3CC(=O)NC(=O)C3)CC[C@H]21 1036842678 TWICUHXBOONHEX-ZYHUDNBSSA-N 304.350 -0.514 30 20 DBED N#Cc1ccc(CN2CC[C@@H]2CNC(=O)[C@H]2CNC(=O)N2)s1 1038654083 GVJBPEKCCIBQCY-BXKDBHETSA-N 319.390 -0.008 30 20 DBED Cc1cc(CC(=O)N2CC[C@@](O)(CNC(=O)[C@@H](C)C#N)C2)no1 1040763452 OSSMBEOYHWCJQB-ZUZCIYMTSA-N 320.349 -0.235 30 20 DBED N#Cc1nccc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCOC3)C2)n1 1040939232 MXDJPFDYAPGHLM-GMTAPVOTSA-N 303.322 -0.950 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)c2cnsn2)C1 1041691092 ADODXHSARUTRRU-UHFFFAOYSA-N 308.363 -0.355 30 20 DBED C=C(C)CCC(=O)N1CC(O)(CNC(=O)CS(C)(=O)=O)C1 1041802488 JCXCAHMXMBDPBQ-UHFFFAOYSA-N 318.395 -0.923 30 20 DBED O=C(Cc1cc[nH]n1)NCC1(O)CN(C(=O)C#CC2CC2)C1 1042259687 NYARKYGAVNRFKU-UHFFFAOYSA-N 302.334 -0.945 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)/C=C/c2ccc[nH]2)C1 1042770259 OLUKNARNJQIQQX-ZWNMCFTASA-N 302.334 -0.123 30 20 DBED CC[C@@H](NC(C)=O)C(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042963740 ULLRECFXUREJJU-CYBMUJFWSA-N 321.377 -0.996 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)c2ccncc2)C1 1043042146 MRQXPEXSUBKQLS-GFCCVEGCSA-N 317.345 -0.577 30 20 DBED C=CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)C#CC(C)C)C1 1043570374 HIABAPOSMMLUNS-ZDUSSCGKSA-N 308.378 -0.074 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)nn1 1043891483 ITVZVOWAILXVNR-OLZOCXBDSA-N 323.316 -0.472 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@@H](C)CO2)C1 1044558364 URFWDGIZGODELE-OLZOCXBDSA-N 308.378 -0.240 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)[C@H]2C[C@@H](C)CO2)C1 1044573306 ZZRWMBASSAAFKZ-CHWSQXEVSA-N 324.377 -0.859 30 20 DBED C=C[C@@](C)(CC)C(=O)N1CC(O)(CNC(=O)c2cnon2)C1 1045188505 VXYRXAHSDPHMPO-ZDUSSCGKSA-N 308.338 -0.025 30 20 DBED C=CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)c2oncc2C)C1 1045681847 ZOMWMYDQIJOADJ-LLVKDONJSA-N 323.349 -0.123 30 20 DBED Cc1nc2cc(C(=O)N(C)[C@H]3CN(CC#N)C[C@@H]3O)cnc2[nH]1 1047405919 BYGXACGUUHUWRG-STQMWFEESA-N 314.349 -0.093 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2cnn3ccncc23)C1 1047409613 PESBRYRFHBHRHV-GJZGRUSLSA-N 313.361 -0.130 30 20 DBED C=C(C)CN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCN(C(N)=O)C2)C1 1047449621 ICFXGEYESPHIOJ-RDBSUJKOSA-N 324.425 -0.143 30 20 DBED C=CCCC(=O)N(C)[C@H]1CN(C(=O)c2cn(C)c(O)n2)C[C@@H]1O 1048526956 AKIWKQJHHFADMB-RYUDHWBXSA-N 322.365 -0.264 30 20 DBED C=CCOCC(=O)N(C)[C@H]1CN(C(=O)C#CC(C)C)C[C@@H]1O 1048555205 SFXIRGMZJMCZNN-KBPBESRZSA-N 308.378 -0.122 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C2=CCOCC2)C1 1048722831 VXDHHKAKUCVJDD-KBPBESRZSA-N 324.377 -0.434 30 20 DBED CN(C(=O)C#CC1CC1)[C@H]1CN(C(=O)Cc2cc[nH]n2)C[C@@H]1O 1048821579 SICNKXTUTFMAHH-KBPBESRZSA-N 316.361 -0.604 30 20 DBED C=CCCCC(=O)N(C)[C@H]1CN(C(=O)[C@H]2CCC(=O)N2)C[C@@H]1O 1049356251 RUZQECXKAITBGG-AGIUHOORSA-N 323.393 -0.349 30 20 DBED CCn1nccc1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)C#N)C1 1049395017 PLTIDYRMBDDZKI-WXHSDQCUSA-N 319.365 -0.294 30 20 DBED CC#CCN1CCOC[C@@H]1CNC(=O)[C@@H]1CN(C(C)C)CCO1 1051082209 VSQBKWACIXERID-HOTGVXAUSA-N 323.437 -0.064 30 20 DBED C=CCN1CCN([C@@H]2CCN(C(=O)C[C@H]3CCNC3=O)C2)CC1 1052035463 CNEAXLPNSJXGSQ-HUUCEWRRSA-N 320.437 -0.083 30 20 DBED N#CCN1CCN([C@@H]2CCN(C(=O)[C@@H]3CCCNC3=O)C2)CC1 1052037150 FBTNWCLKIHICOV-ZIAGYGMSSA-N 319.409 -0.745 30 20 DBED C[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1CNC(=O)c1cnn[nH]1 1053243753 UOQLWMIXHZIRFN-NXEZZACHSA-N 312.337 -0.031 30 20 DBED C=CCCN1CC2(C[C@@H](NC(=O)[C@@H]3COCCN3C)CO2)C1 1053782385 OLWPNYSAMQJRFQ-KGLIPLIRSA-N 309.410 -0.147 30 20 DBED Cc1nc(C(=O)N[C@@H]2COC3(C2)CN(CC#N)C3)c(=O)[nH]c1C 1053843119 FMJMNFSVYDJFPG-NSHDSACASA-N 317.349 -0.517 30 20 DBED COc1ccnc(O)c1C(=O)N[C@H]1COC2(C1)CN(CC#N)C2 1053984313 UWFLIOQBXFYQQZ-SNVBAGLBSA-N 318.333 -0.108 30 20 DBED N#Cc1nccnc1N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cn1nccn1 1055396513 XXZFTUZWRJNGGF-WZRBSPASSA-N 324.348 -0.134 30 20 DBED C=CCCC(=O)N[C@]1(CO)CCCN(C(=O)[C@@H]2CCNC2=O)C1 1055825463 IOQAOXQIWBWFDF-MLGOLLRUSA-N 323.393 -0.442 30 20 DBED O=C(C#CC1CC1)N[C@]1(CO)CCCN(C(=O)c2ncc[nH]2)C1 1055938827 LRKZFLABDJXEME-MRXNPFEDSA-N 316.361 -0.094 30 20 DBED C#CCO[C@H](C)C(=O)N[C@]1(CO)CCCN(C(=O)C(F)F)C1 1055947180 KYEWZEKOBXQTRN-QMTHXVAHSA-N 318.320 -0.241 30 20 DBED Cn1cnc(C(=O)N[C@H]2[C@@H]3CN(c4nccnc4C#N)C[C@@H]32)n1 1056203341 RTHUVBMOAILDQJ-JZYVYDRUSA-N 310.321 -0.659 30 20 DBED CN(c1ccc(C#N)cn1)[C@H]1CCN(C(=O)Cn2ncnn2)C1 1056967877 MEWAMWQGMOOXSK-LBPRGKRZSA-N 312.337 -0.323 30 20 DBED O=C(NCCN(CCO)C(=O)C#CC1CC1)c1ccncn1 1057533496 PNHLUISIODQKJW-UHFFFAOYSA-N 302.334 -0.559 30 20 DBED CN(C)[C@@H](C(=O)NCCN(CCO)C(=O)C#CC1CC1)C1CC1 1057536468 ZDKHBQRPFIVQEN-MRXNPFEDSA-N 321.421 -0.323 30 20 DBED Cn1cc(C(=O)N[C@H]2CCCN(c3nccnc3C#N)C2)nn1 1058155384 GNVAYLDEBZYEBV-JTQLQIEISA-N 312.337 -0.124 30 20 DBED C[C@H](C(=O)NCCN(CCO)C(=O)[C@H](C)C#N)c1cncnc1 1058663458 TYTUFVNINZYAOR-NEPJUHHUSA-N 319.365 -0.323 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](Nc2ncnc3c2nnn3C)C1 1058853621 OBMOYUOOHVGMKC-BDAKNGLRSA-N 300.326 -0.069 30 20 DBED C=CCCCC(=O)NCCN(CCO)C(=O)Cc1nc[nH]n1 1058890978 QQRPFNABMHXCIJ-UHFFFAOYSA-N 309.370 -0.359 30 20 DBED C#CCOCCC(=O)NCC[C@@H]1CCN(C(=O)CNC(N)=O)C1 1059121397 SZHROAJINTVKKR-GFCCVEGCSA-N 324.381 -0.951 30 20 DBED Cn1cc(C(=O)N[C@H]2C[C@@H](N=c3cc[nH]c(C#N)n3)C2)ccc1=O 1059880711 ZPBVADUCYBPRIW-TXEJJXNPSA-N 324.344 -0.158 30 20 DBED N#Cc1cncc(N2CCC[C@H]2CNC(=O)[C@H]2COCCO2)n1 1061298684 OMYALFNKILJQKS-QWHCGFSZSA-N 317.349 -0.151 30 20 DBED C#CCOCCC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1CCOC1 1061581810 UTVMBCLUEJQZQZ-KGLIPLIRSA-N 324.377 -0.594 30 20 DBED Cn1nnc(C(=O)NC[C@H]2CCN(c3cncc(C#N)n3)C2)n1 1061706179 ODYXUMUJVNFKEX-SECBINFHSA-N 313.325 -0.872 30 20 DBED COCCOCC(=O)N1CCOC[C@H]1CNC(=O)[C@H](C)C#N 1061845536 ISXIVFLEAWMEMX-VXGBXAGGSA-N 313.354 -0.847 30 20 DBED Cc1c[nH]c(C(=O)N2CCOC[C@H]2CNC(=O)[C@@H](C)C#N)n1 1061852636 KXSYZKBOHBQDEQ-GXSJLCMTSA-N 305.338 -0.165 30 20 DBED C#CCOCCC(=O)NC[C@H]1CCCCN1C(=O)CC(=O)NC 1062154476 FOXXOGQEHHTHCP-CYBMUJFWSA-N 323.393 -0.340 30 20 DBED C#CCOCCC(=O)NC1(CNC(=O)[C@@H]2COCCO2)CCC1 1062594331 XRMHQRPHDHEDSC-ZDUSSCGKSA-N 324.377 -0.403 30 20 DBED C#Cc1ccc(C(=O)NCC2(NC(=O)CC(N)=O)CCC2)nc1 1063836318 KVRBYKPHMHDBJM-UHFFFAOYSA-N 314.345 -0.293 30 20 DBED O=C(C#CC1CC1)NC1(CNC(=O)Cn2cncn2)CCC1 1064595581 DHOJGNWKXBWLMR-UHFFFAOYSA-N 301.350 -0.153 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CN(C(=O)c2ccn(C)n2)CCO1 1065172340 XPIJHBSGIGDRKA-GHMZBOCLSA-N 305.338 -0.463 30 20 DBED C#CCOCCC(=O)NC[C@H]1CN(C(=O)[C@H](C)C#N)CCO1 1065557316 PJRJSSVRABJFKP-OLZOCXBDSA-N 307.350 -0.470 30 20 DBED C#CCCCC(=O)N1CCN([C@H]2CCN(C(=O)C(N)=O)C2)CC1 1065712218 VLWXZPSLBBAYPH-ZDUSSCGKSA-N 320.393 -0.980 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](NC(=O)CC(N)=O)CC1 1066016367 VAVJJBNQZGTQTF-XQQFMLRXSA-N 323.393 -0.050 30 20 DBED Cc1nn[nH]c1C(=O)NCC1[C@@H]2CN(c3nccnc3C#N)C[C@@H]12 1068193058 VMSPOSSPUNIHEP-QWRGUYRKSA-N 324.348 -0.113 30 20 DBED NC(=O)CC(=O)NC[C@@H]1CCC2(CN(C(=O)C#CC3CC3)C2)O1 1068543427 JAGGRGITLCBOFE-LBPRGKRZSA-N 319.361 -0.849 30 20 DBED O=C(C#CC1CC1)N[C@@H]1COC2(C1)CN(C(=O)c1cnon1)C2 1068861040 XQOWQENQYBUJJF-NSHDSACASA-N 316.317 -0.417 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC(CC)(NC(=O)CC(N)=O)CC1 1069374867 WIOGUPARCGOHDE-GFCCVEGCSA-N 323.393 -0.213 30 20 DBED CC1(C)CN(C(=O)CC(N)=O)C[C@H]1Nc1cnc(C#N)cn1 1069547858 LGLCFFAPCRFKBZ-SNVBAGLBSA-N 302.338 -0.127 30 20 DBED N#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H]2CCCOCC2)C1 1069916149 GXAGFAUAIONXFA-MJBXVCDLSA-N 318.381 -0.040 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2[nH]c(O)nc2C)C1 1069953785 ZGKPZHLGEDWQNU-MNOVXSKESA-N 315.337 -0.696 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)C2CCN(C)CC2)C1 1070015134 GZBNATUJRLXPHC-CABCVRRESA-N 316.409 -0.405 30 20 DBED C=CCN[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@@H]1n1ccnn1 1070189780 ICQZYOIGHCEARR-PWSUYJOCSA-N 302.342 -0.752 30 20 DBED C=CCOCC(=O)NCC1(NC(=O)c2cnon2)CCOCC1 1070214967 VJQHBOGUKZMCIW-UHFFFAOYSA-N 324.337 -0.333 30 20 DBED C=CCN[C@@H]1CN(C(=O)Cc2nonc2C)C[C@@H]1n1ccnn1 1070306886 DGLYHJPPVNRUNC-OLZOCXBDSA-N 317.353 -0.260 30 20 DBED Cn1cnc([C@@H]2CN(C(=O)Cn3cncn3)C[C@H]2NCC#N)c1 1070560971 YGPDJTQYVFPDIS-WCQYABFASA-N 314.353 -0.881 30 20 DBED CC#CCN1C[C@H]2C[C@@H]3CN(C(=O)[C@H]4COCCO4)C[C@@]3(C1)O2 1070766600 CZTYLDONKHRNHI-KCYZZUKISA-N 320.389 -0.273 30 20 DBED C=C(Cl)CN1C[C@H]2C[C@H]3CN(C(=O)CC(N)=O)C[C@@]3(C1)O2 1070776801 VSMWYTKMAIDION-MISXGVKJSA-N 313.785 -0.084 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)[C@H]4CCC(=O)NC4)C[C@@]3(C1)O2 1070818642 KRCCZDJHKINRDF-ZOMKSWQUSA-N 317.389 -0.553 30 20 DBED CCC(=O)NCC(=O)N1C[C@@H](C)[C@@H](NC(=O)C#CC2CC2)C1 1071814331 GYIAIGYSJWCDOS-YPMHNXCESA-N 305.378 -0.111 30 20 DBED C#CCCCCC(=O)N1C[C@@H](NC(=O)c2nnn(C)n2)[C@H](C)C1 1071930283 ZIGAQSKPBJSPCQ-VXGBXAGGSA-N 318.381 -0.020 30 20 DBED C#CCN1C[C@@H](NC(=O)CN2CCC(=O)NC2=O)CC[C@H]1C 1071968196 RVXNMLFQWHZQBJ-NEPJUHHUSA-N 306.366 -0.469 30 20 DBED C=CCCC(=O)N[C@H]1CN(C(=O)CS(=O)(=O)NC)C[C@@H]1C 1072144912 BNYMYRVZEMTKIG-QWRGUYRKSA-N 317.411 -0.535 30 20 DBED C#CCC1(C(=O)N2C[C@@H](NC(=O)C(N)=O)[C@H](C)C2)CCOCC1 1072238631 YOHCUQRNNAVMGB-VXGBXAGGSA-N 321.377 -0.745 30 20 DBED C=CCCOCC(=O)N1C[C@@H](NC(=O)c2cnnn2C)[C@H](C)C1 1072333508 OEVYAEOFSHFTDM-VXGBXAGGSA-N 321.381 -0.016 30 20 DBED C[C@H]1CN(C(=O)CSCC#N)CC[C@@H]1NC(=O)CC(N)=O 1073840356 SMYSMFFYJYWPQM-UWVGGRQHSA-N 312.395 -0.528 30 20 DBED C#CCO[C@@H](C)C(=O)NCC[C@H](C)NC(=O)CCn1cncn1 1076508592 ATHWVRPVAVJADQ-STQMWFEESA-N 321.381 -0.283 30 20 DBED C=CCCC(=O)N[C@@H](C)CCNC(=O)CN(C)S(C)(=O)=O 1076887747 QNMAQUXPTXIYMO-NSHDSACASA-N 319.427 -0.145 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)Cn1ccnc1 1077182187 DWPKVOMHMUWMPN-LBPRGKRZSA-N 319.365 -0.966 30 20 DBED C[C@@H](CCNC(=O)C(=O)NCC(F)(F)F)NC(=O)[C@H](C)C#N 1078058510 RRZCYFWSQPGYGJ-SFYZADRCSA-N 322.287 -0.164 30 20 DBED CCN(C(=O)C1(NC(N)=O)CC1)C1CN(C(=O)[C@H](C)C#N)C1 1079636227 GSJJFADYRBOAMH-SECBINFHSA-N 307.354 -0.594 30 20 DBED C#CCCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)C(C)(C)C(N)=O)C1 1081558589 LQNIICHEPKPXTF-VXGBXAGGSA-N 323.393 -0.763 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cn(C)ccc1=O 1083139796 USWBDTRPODCDAL-GOEBONIOSA-N 315.373 -0.066 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CC(=O)N(CC(C)C)C2)C1 1083503940 IQCWBWSTXYMRJA-KFWWJZLASA-N 321.421 -0.325 30 20 DBED C=CCN1CC[C@@H](N2C[C@H](O)[C@H](NC(=O)C(C)(C)C)C2)C1=O 1083979474 BEGUVDHLXUSGCB-UPJWGTAASA-N 309.410 -0.019 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H]1CCN1Cc1nnnn1C 1085823060 YRRLDRYYEHGPSI-UPJWGTAASA-N 320.397 -0.166 30 20 DBED C=CCN1CC[C@@H](NC(=O)c2ccnn2CCOC)[C@@H](O)C1 1090348779 FRXFTORAOHBWNJ-OCCSQVGLSA-N 308.382 -0.120 30 20 DBED C=CCCN1CC[C@H](NC(=O)c2nnc(O)nc2O)[C@@H](O)C1 1090395540 DBMNSIPJASPFJS-IUCAKERBSA-N 309.326 -0.976 30 20 DBED Cc1cc(C#N)nc(N2C[C@@H](O)[C@H](NC(=O)[C@H](C)C#N)C2)n1 1090404580 QGXHUPFRZHIHDB-GGZOMVNGSA-N 300.322 -0.518 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1O 1090490721 WKZHIFCCVHVGFE-RAIGVLPGSA-N 315.333 -0.948 30 20 DBED C#CCN1CC[C@H](NC(=O)Cc2ccc(OC)cn2)[C@H](O)C1 1090510087 KAOPCVXXAIPORE-LSDHHAIUSA-N 303.362 -0.183 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCN(CCOC)C[C@H]2O)nn1 1090632591 IOJAKORBTLAEMF-WCQYABFASA-N 309.370 -0.725 30 20 DBED C[C@@H]1CN(c2ncccc2C#N)C[C@H]1NC(=O)CNC(N)=O 1090648117 MXKYRHQYYLZWQV-MWLCHTKSSA-N 302.338 -0.438 30 20 DBED C#CCN1CC[C@H](NC(=O)c2noc3c2COCC3)[C@@H](O)C1 1090825179 WVRJYXNRPXEDAP-RYUDHWBXSA-N 305.334 -0.455 30 20 DBED C#CCN1CCC(C(=O)N[C@@H]2CCN(CCOC)C[C@H]2O)CC1 1090832161 YQKPNAQHDUFIGR-HZPDHXFCSA-N 323.437 -0.471 30 20 DBED CCc1nc(C#N)cc(N2C[C@H](O)[C@H](NC(=O)CCOC)C2)n1 1091062366 MWNRGUOGSHHWEW-NEPJUHHUSA-N 319.365 -0.387 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1091152621 DOASIIQHYAICAY-UTUOFQBUSA-N 315.333 -0.948 30 20 DBED COC(=O)NCC(=O)N[C@H]1CCN(c2ccnc(C#N)n2)[C@@H]1C 1091942024 KCFHFMGLCDRXGF-ZJUUUORDSA-N 318.337 -0.212 30 20 DBED C[C@H](CC(N)=O)C(=O)N[C@H]1CCN(c2ccc(C#N)nn2)[C@@H]1C 1092033298 ATIXCQSBYCZVHL-FOGDFJRCSA-N 316.365 -0.057 30 20 DBED Cc1cc(=NC2CC(CNC(=O)CNC(N)=O)C2)c(C#N)c[nH]1 1092186447 OWNZQKAGOFXNQR-UHFFFAOYSA-N 316.365 -0.341 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1CNC(=O)[C@@H]1CCc2nnnn2CC1 1092983473 QBSLFZWFFKQHBY-JHJVBQTASA-N 317.397 -0.167 30 20 DBED N#Cc1nccnc1N1C[C@H]2[C@H](NC(=O)CCc3nc[nH]n3)[C@H]2C1 1093239682 MYAGTJCSDDPVJA-MSRIBSCDSA-N 324.348 -0.350 30 20 DBED Cc1cc(=NCCNC(=O)Cn2cnnc2O)c(C#N)c[nH]1 1093558906 PRHJMAUFMMBMAH-UHFFFAOYSA-N 301.310 -0.791 30 20 DBED N#Cc1ccc(NCCNC(=O)CN2C(=O)CNC2=O)nc1 1093622438 YMAQBUXDJLHQCD-UHFFFAOYSA-N 302.294 -0.967 30 20 DBED N#Cc1c[nH]ccc1=NCCNC(=O)[C@H]1CCCS1(=O)=O 1093670254 UHRLJZOLQZUDEU-GFCCVEGCSA-N 308.363 -0.520 30 20 DBED N#Cc1ccc(NCCCNC(=O)C[C@H]2CC(=O)NC2=O)nn1 1094485655 NMTOHIJDKKWVBQ-VIFPVBQESA-N 316.321 -0.681 30 20 DBED C#CCN1CCN(C(=O)[C@@H]2CC23CC3)[C@@H]2CS(=O)(=O)C[C@@H]21 1094663791 WCZQHKQNMHCARK-RWMBFGLXSA-N 308.403 -0.271 30 20 DBED CC(=O)N[C@@H](C)C(=O)N1CC[C@@H](N(C)c2nccnc2C#N)C1 1095089862 GQMALPPTGRKIQY-CMPLNLGQSA-N 316.365 -0.090 30 20 DBED CNC(=O)CC(=O)N1CCC[C@H](Nc2ccc(C#N)nn2)C1 1095289314 XCACCBBRNCAVHT-NSHDSACASA-N 302.338 -0.113 30 20 DBED CCC(=O)N[C@H](C)C(=O)N[C@H]1CCN(c2ccnc(C#N)n2)C1 1096494115 GDQAKLVFPIKBQR-MNOVXSKESA-N 316.365 -0.042 30 20 DBED N#Cc1c[nH]ccc1=N[C@H](CNC(=O)[C@@H]1CCNC1=O)C1CC1 1096783514 LFSYSMJWEULMKE-TZMCWYRMSA-N 313.361 -0.182 30 20 DBED Cc1cc(=N[C@H]2CCN(C(=O)[C@H](C)NC(N)=O)C2)c(C#N)c[nH]1 1096930291 CWESURWTEQFFBU-JQWIXIFHSA-N 316.365 -0.247 30 20 DBED Cc1ccc(C#N)c(N[C@H]2C[C@H](NC(=O)CNC(N)=O)C2)n1 1096984079 OBVHJMOSHCINDG-XYPYZODXSA-N 302.338 -0.011 30 20 DBED CCc1nc(C#N)cc(N[C@H](C)CNC(=O)[C@@H]2CNC(=O)N2)n1 1098249895 DKOXYICSNZMTKU-SCZZXKLOSA-N 317.353 -0.491 30 20 DBED C[C@H](CNC(=O)[C@H]1CCC(=O)NC1)Nc1nccnc1C#N 1098398187 YSAODORZJOIVST-ZJUUUORDSA-N 302.338 -0.209 30 20 DBED C#CCN(CCO)C1CCN(C(=O)C(C)(C)NC(=O)NC)CC1 1098572576 PKOGRBAJQWYILN-UHFFFAOYSA-N 324.425 -0.388 30 20 DBED N#CCN1C[C@H](NC(=O)C2(C(N)=O)CC2)CC2(CCOCC2)C1 1099591391 ZVLJWDOGBULMPQ-GFCCVEGCSA-N 320.393 -0.237 30 20 DBED COCC#CCN1CC[C@H](NC(=O)C2=COCCO2)[C@H](O)C1 1099643028 ZZNLKVQSCNCIHB-QWHCGFSZSA-N 310.350 -0.924 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(Cc2cnn(CC)n2)C[C@@H]1O 1099740295 ASAFHXQOTADGRJ-KGLIPLIRSA-N 323.397 -0.448 30 20 DBED C=CCCCC(=O)N[C@H]1CCN(CCN2CCNC2=O)C[C@@H]1O 1099976665 PVJXIEMLYOXTCL-KBPBESRZSA-N 324.425 -0.081 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)c2nccs2)[C@@H](O)C1 1100043307 FSEGHZVQBQCREP-MNOVXSKESA-N 322.390 -0.943 30 20 DBED CC#CCN1CC[C@H](NC(=O)C(=O)NCC(F)(F)F)[C@@H](O)C1 1100053041 IUHRYBNFSHCHIT-UWVGGRQHSA-N 321.299 -0.760 30 20 DBED CCN(CCNC(=O)[C@@H]1CCNC1=O)c1ccc(C#N)nn1 1100694465 AYDXRDWWVIPXDD-LLVKDONJSA-N 302.338 -0.573 30 20 DBED CCN(CC)CC(=O)NCC1CC(NCC(=O)NCC#N)C1 1100769748 ZFEZZJCRLXKKPB-UHFFFAOYSA-N 309.414 -0.548 30 20 DBED CC(=O)N(C)CC(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(C#N)cn1 1102537438 LMDCMZCZMYKPOP-STQMWFEESA-N 314.349 -0.384 30 20 DBED CNC(=O)NCC(=O)N(C)[C@@H]1CCN(c2ccnc(C#N)n2)C1 1102767115 RWQOJGOFHBHAMW-SNVBAGLBSA-N 317.353 -0.686 30 20 DBED Cc1[nH]nc(C(=O)NC[C@@H](C)CN=c2cc[nH]c(C#N)n2)c1O 1103949046 FRYXCIUHPRZCGL-QMMMGPOBSA-N 315.337 -0.015 30 20 DBED C[C@@H](CNc1ccc(C#N)nn1)N(C)C(=O)Cn1nccn1 1104701914 PTRAHJWGSXWCLK-JTQLQIEISA-N 300.326 -0.101 30 20 DBED CNC(=O)NCC(=O)N(C)[C@@H](C)CN=c1cc(C)[nH]cc1C#N 1104855748 ARYAVUPMLSSIIS-NSHDSACASA-N 318.381 -0.129 30 20 DBED C=CCNCc1cn(C2CN(C(=O)Cc3cnn(C)c3)C2)nn1 1105183631 XECONDNQWUGTDL-UHFFFAOYSA-N 315.381 -0.087 30 20 DBED CC#CCNCc1cn(C2CN(C(=O)[C@H]3CCCN3C)C2)nn1 1105192083 KUAZUSXJVKRUOK-OAHLLOKOSA-N 316.409 -0.132 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](O)CNC(=O)c2n[nH]cc2C)n1 1105825297 ASCFGZQRCSNXGD-NSHDSACASA-N 315.337 -0.109 30 20 DBED CN1CC[C@H](CC(=O)NC[C@H](O)CNc2cncc(C#N)n2)C1 1105913735 HUWRIICNPLFVBX-DGCLKSJQSA-N 318.381 -0.421 30 20 DBED C=CCCOCC(=O)N1C[C@@H](C)[C@H](CNCC(=O)NCC#N)C1 1107058913 HNZUFMBYQUHYRC-ZIAGYGMSSA-N 322.409 -0.097 30 20 DBED CNC(=O)NCCC(=O)NC/C=C\CN=c1cc[nH]cc1C#N 1107151086 GDCIJNZBRLORNF-IHWYPQMZSA-N 316.365 -0.221 30 20 DBED C#CCC1(C(=O)NCc2cn(C3CN(CCO)C3)nn2)CCC1 1107179952 XCURZWOUHBBPOC-UHFFFAOYSA-N 317.393 -0.063 30 20 DBED C[C@@H](CC(N)=O)C(=O)NC/C=C/CN=c1cc[nH]c(C#N)n1 1107450001 BADSXCOVHCSGIP-PBKGFPTLSA-N 302.338 -0.634 30 20 DBED C#CCNC(=O)CN1CCO[C@@](C)(CNC(=O)CCC=C)C1 1107802700 XCNSMXNPVZBTIO-INIZCTEOSA-N 307.394 -0.091 30 20 DBED C=CCNC(=O)CN1CCO[C@@](C)(CNC(=O)[C@H](C)C#N)C1 1107819425 PBLVYYCZAQSXED-DOMZBBRYSA-N 308.382 -0.345 30 20 DBED Cc1nc(CN2CCO[C@](C)(CNC(=O)[C@@H](C)C#N)C2)n[nH]1 1107821928 XYAPFKKRTUSQEV-IINYFYTJSA-N 306.370 -0.020 30 20 DBED C#CCCCC(=O)NC[C@]1(C)CN(Cc2nnnn2C)CCO1 1107901367 NWCZPIIYNSQZTC-OAHLLOKOSA-N 320.397 -0.279 30 20 DBED Cn1ncnc1CN1CCO[C@](C)(CNC(=O)C#CC2CC2)C1 1107932024 DOSYJXLGTZZKFN-MRXNPFEDSA-N 317.393 -0.064 30 20 DBED COCC#CCN1CC(N2C[C@@H](NC(=O)[C@H](C)OC)CC2=O)C1 1108516459 XFUCSBHUXCXCGJ-STQMWFEESA-N 323.393 -0.928 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)[C@@H](COC)OC)CC2=O)C1 1108569513 KCNILQFGIKTSGB-DGCLKSJQSA-N 311.382 -0.765 30 20 DBED C[C@H](CN(C)c1ccnc(C#N)n1)NC(=O)CN1CCOCC1 1108904509 ZSXJJSDVHSPURM-GFCCVEGCSA-N 318.381 -0.379 30 20 DBED N#Cc1nccc(N2CC[C@](O)(CNC(=O)C#CC3CC3)C2)n1 1111070278 COQOFPCLHBSYLB-INIZCTEOSA-N 311.345 -0.181 30 20 DBED N#Cc1ccc(NCCN(CCO)C(=O)c2cnn[nH]2)nc1 1111585677 GXPJSFUDRRTZLU-UHFFFAOYSA-N 301.310 -0.382 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3n[nH]cc3C)[C@H]2C1 1114232136 PKMOURHRQXDDST-QWRGUYRKSA-N 301.350 -0.872 30 20 DBED CC#CCCCC(=O)NC1[C@@H]2CN([C@H](C)C(=O)NC(N)=O)C[C@@H]12 1114710291 BBDZPCSYZZZSFD-IJLUTSLNSA-N 320.393 -0.190 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)C[C@@H]3CCC(=O)N3)[C@H]2C1 1114960017 OQNLBPWDRLZEGJ-BCUIYNNISA-N 305.378 -0.649 30 20 DBED C#CCSCCNC(=O)C(=O)N1CCC(CO)(CO)CC1 1119200968 PFPDKGCWJXHLKZ-UHFFFAOYSA-N 314.407 -0.938 30 20 DBED C[C@H](CN(C)C(=O)[C@H]1CNC(=O)N1)Nc1ccc(C#N)nn1 1120633911 IYMWIRKTPWPCTQ-PSASIEDQSA-N 303.326 -0.712 30 20 DBED N#Cc1cncc(N[C@H](CO)CNC(=O)CCn2cccn2)n1 1121078924 JPGLDTJDDWTSBR-LBPRGKRZSA-N 315.337 -0.476 30 20 DBED CC(=O)N(C)CC(=O)NC[C@H](CO)Nc1ccc(C#N)c(C)n1 1121086446 UVYREGMFZYTQGO-CYBMUJFWSA-N 319.365 -0.371 30 20 DBED CCCCO[C@@H](C)C(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1 1121279047 NMTUAPPGXKMMMA-NWDGAFQWSA-N 321.381 -0.136 30 20 DBED N#Cc1nc(=N[C@@H](CO)CNC(=O)[C@@H]2C[C@H]2C2CC2)cc[nH]1 1122696548 SRJGHNYYSBIKMD-GRYCIOLGSA-N 301.350 -0.295 30 20 DBED CCC(=O)N[C@H](C)C(=O)NC[C@H](CO)Nc1ncccc1C#N 1122752250 KJAUZPBRMXVJCC-ZYHUDNBSSA-N 319.365 -0.243 30 20 DBED CNC(=O)NCC(=O)N1C[C@@H](Nc2ccc(C#N)nn2)C[C@H]1C 1123322352 YKYWPWXDBLSGNH-KOLCDFICSA-N 317.353 -0.321 30 20 DBED COCCc1noc(CNCCNC(=O)CSCC#N)n1 1123787355 MUTBZSIVQGUPDR-UHFFFAOYSA-N 313.383 -0.279 30 20 DBED CN(C[C@@H](O)CNc1cnc(C#N)cn1)C(=O)c1cccnn1 1124460401 MSBYVACWYUYSAM-NSHDSACASA-N 313.321 -0.317 30 20 DBED COCC#CCNCCNC(=O)c1coc(S(C)(=O)=O)c1 1127706669 QHFKFDFCQSCOMH-UHFFFAOYSA-N 314.363 -0.348 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)Cc1ccn(CC)n1 1127731401 QEEBTZWBRNCDKG-GFCCVEGCSA-N 305.382 -0.711 30 20 DBED COCC(=O)N[C@@H](C)C(=O)NCCNCc1ccc(C#N)cc1 1127966543 BBAIXZNWFREFLE-LBPRGKRZSA-N 318.377 -0.085 30 20 DBED C#CCCN1CCn2ncc(CNC(=O)CCNC(N)=O)c2C1 1128570862 AJXJCBQGRSHZRC-UHFFFAOYSA-N 318.381 -0.603 30 20 DBED CCO[C@H](CC)C(=O)N1C[C@H](n2ccnn2)[C@H](NCC#N)C1 1129656847 WIPNYCIUKKIFSP-FRRDWIJNSA-N 306.370 -0.042 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1ccc2nc[nH]c2n1 1130122569 VLCLSVRGGGTYGB-UHFFFAOYSA-N 300.322 -0.973 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)[C@H](CC)NC(C)=O)C[C@@]3(C1)O2 1131273543 IWARRNULAFNKRC-PNBKFKSVSA-N 319.405 -0.164 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)CCCCC(N)=O)C[C@@]3(C1)O2 1131285693 FDEVSHDXAGACJU-CKEIUWERSA-N 319.405 -0.033 30 20 DBED CCc1cc(C(=O)NCCNCC(=O)NCC#N)c(C)nn1 1131794451 ZUEOCCGEKHXPRQ-UHFFFAOYSA-N 304.354 -0.693 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)CSCC#N)CC[C@@H]1C 1131826676 RTHWMIYJNHXHRL-STQMWFEESA-N 322.434 -0.038 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H](C)c1cncnc1 1132819336 APLDANMKRSEDIK-NWDGAFQWSA-N 303.366 -0.576 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)[C@H]1CN(C)C[C@@H]1C 1133866942 QAMIFAVVLNBKID-KBPBESRZSA-N 323.441 -0.348 30 20 DBED C#CCNC(=O)CNCCNC(=O)CCCn1ccnc1C 1135305013 FPILJMLUNDJDKN-UHFFFAOYSA-N 305.382 -0.573 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)C(=O)NCC(F)(F)F 1135911168 XHKBUJYPRFHEDB-QMMMGPOBSA-N 324.303 -0.939 30 20 DBED CC#CCN[C@@H](C)C[C@H](C)NC(=O)c1cn(C)c(=O)nc1O 1146315848 WGBTUVGGNZJQIJ-QWRGUYRKSA-N 306.366 -0.004 30 20 DBED CO[C@@H](CC(=O)NCCNCC(=O)NCC#N)C(F)(F)F 1146933750 QZCNVWXODCKGTJ-QMMMGPOBSA-N 310.276 -0.701 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC2(CCN(Cc3nnnn3C)C2)C1 1147440713 PASJHIGCSTZNSX-CQSZACIVSA-N 320.397 -0.429 30 20 DBED C=CCC1(C(=O)NCCNCc2nnnn2C)CCOCC1 1149305696 HCCAQGGOTGKBLE-UHFFFAOYSA-N 308.386 -0.211 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cccc(NC(C)=O)c1 1150866226 SALAFXXCIDRUCT-UHFFFAOYSA-N 316.361 -0.286 30 20 DBED C#CCN(CC)[C@H](C)CNC(=O)c1c[nH]nc1S(N)(=O)=O 1155160385 DEBRGAGUAUOAGQ-SECBINFHSA-N 313.383 -0.870 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@H]1CC(=O)N(C(C)C)C1 1159240899 JVLVKOSVSXHFGH-ZDUSSCGKSA-N 324.425 -0.359 30 20 DBED COCC#CCNCCCNC(=O)COCc1ccnn1C 1160746076 ZGGXXLPXOFMPKG-UHFFFAOYSA-N 308.382 -0.318 30 20 DBED C#CCNC(=O)CN1CC=C(CCNC(=O)c2cnon2)CC1 1161524025 DNAULAAFZZLSLP-UHFFFAOYSA-N 317.349 -0.429 30 20 DBED C=C[C@@H](CC)CC(=O)NCCCNCC(=O)N1CCNC(=O)C1 1164323597 IQASDNGKPPOJEV-ZDUSSCGKSA-N 324.425 -0.357 30 20 DBED C#CCNC(=O)CNCC1(CCNC(=O)[C@H](CC)N(C)C)CC1 1167260813 KZDXSPWMPNAJSA-AWEZNQCLSA-N 322.453 -0.048 30 20 DBED C[C@H](CCCCNCC(=O)NCC#N)NC(=O)C1=COCCO1 1168970072 DGAKCUGUQAIOQG-GFCCVEGCSA-N 324.381 -0.221 30 20 DBED C=CCNC(=O)CNCCCC[C@@H](C)NC(=O)[C@H]1CCNC1=O 1174658172 BWFFAYKQUFHYLC-OLZOCXBDSA-N 324.425 -0.311 30 20 DBED C#CCNCCCC[C@@H](C)NC(=O)[C@H](C)NS(C)(=O)=O 1175450622 DJYNITGPQBFKLK-NEPJUHHUSA-N 303.428 -0.178 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)c2ncccn2)[C@H]1C 1179759660 PJEOKHHHHSIVHN-AVGNSLFASA-N 315.377 -0.193 30 20 DBED C#CCNC(=O)CNCCCCCCNC(=O)Cc1nc[nH]n1 1180026723 SRKMKHOSFNCKJV-UHFFFAOYSA-N 320.397 -0.637 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)Cc2cnoc2)C1 1185099547 KSKIJJQMTDPRAW-WCQYABFASA-N 304.350 -0.455 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)CCN2CCOCC2)C1 1186355530 DZCNDEFYPFMIAD-CQSZACIVSA-N 324.425 -0.799 30 20 DBED COCC#CCN(C)[C@@H]1CCN(C(=O)[C@H]2COCCN2C)C1 1189704721 DQUFEQDZSKYNFI-HUUCEWRRSA-N 309.410 -0.501 30 20 DBED CC#CCN(C)[C@H]1CCN(C(=O)CN(C)S(C)(=O)=O)C1 1190471549 FIVWVUIGJPHAHE-LBPRGKRZSA-N 301.412 -0.566 30 20 DBED N#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)CC2CCCCC2)C1 1190795007 LUXDVQMCRBUBQK-ZIAGYGMSSA-N 322.409 -0.242 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)c2ccc(F)nc2)C1 1191771776 QMFFNJAKMJUKTQ-CHWSQXEVSA-N 307.325 -0.355 30 20 DBED COc1ccc(CN2C[C@@H](O)[C@H](NC(=O)[C@@H](C)C#N)C2)nn1 1191854627 PCBKOERAXWMURW-MVWJERBFSA-N 305.338 -0.694 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)CN(C)C(=O)c2cccs2)C1 1193472827 IOUGMKCEKRIVLR-VXGBXAGGSA-N 321.402 -0.385 30 20 DBED C#CCC1(C(=O)N[C@@H]2CN(CCOCCO)C[C@H]2O)CCC1 1193686047 ULIPRYCLCBADSQ-ZIAGYGMSSA-N 310.394 -0.650 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCCN(CCn2cncn2)CC1 1195807476 VHGCIEBKHONRJX-AWEZNQCLSA-N 305.382 -0.149 30 20 DBED C=CCCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 1196146398 VQJPWLZLTLCDHJ-FVCCEPFGSA-N 311.382 -0.853 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCCN(C(=O)CCN(C)C)CC1 1197028835 KAZULQLUOGEMHH-CQSZACIVSA-N 308.426 -0.390 30 20 DBED C#CCNC[C@@H]1CN(C(=O)C[C@H]2CCC(=O)N2C)CCCO1 1201130010 URBSRHIJUDGYBV-ZIAGYGMSSA-N 307.394 -0.162 30 20 DBED CC(C)N1CCO[C@H](C(=O)N2CCCO[C@H](CNCC#N)C2)C1 1201245702 LRDHDAHWHBVMNU-CABCVRRESA-N 324.425 -0.174 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)[C@H]2CN(CC)CCO2)CCCO1 1202115572 JWDOHKPVMMLPES-HZPDHXFCSA-N 323.437 -0.063 30 20 DBED C=CCOCCN[C@@H]1CCCN(C(=O)Cn2ncn(C)c2=O)C1 1208456566 LJSCJRJPWWHEOM-CYBMUJFWSA-N 323.397 -0.635 30 20 DBED C=CCOCCN1C[C@@H](NC(=O)C2=COCCO2)[C@H](OC)C1 1211795181 BPGHPMAUTAVTQW-CHWSQXEVSA-N 312.366 -0.107 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)CS(=O)(=O)C(C)(C)C 1213721384 MQMBHWHXTFPQHM-GHMZBOCLSA-N 317.411 -0.461 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)COC[C@H]1CCCO1 1219073763 UWIUYGZQZSIICC-QLFBSQMISA-N 308.378 -0.273 30 20 DBED N#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)CC2CCCCC2)C1 1219137519 LUXDVQMCRBUBQK-KGLIPLIRSA-N 322.409 -0.242 30 20 DBED C[C@H](c1ncccn1)N1C[C@H](O)[C@H](NC(=O)CSCC#N)C1 1219218222 LXSAEPMGGYKPSB-UTUOFQBUSA-N 321.406 -0.044 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C2(F)CCCC2)C1 1219921768 RPIHTMXSVLVGDD-NEPJUHHUSA-N 311.357 -0.821 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)COC2CCN(C)CC2)C1 1220638237 XQRUXCKALPOSDS-CABCVRRESA-N 309.410 -0.718 30 20 DBED C[C@@H](OCC(=O)N[C@@H]1CN(CC#N)C[C@@H]1O)c1nccn1C 1220871833 ZPJVEZYPWVZSHT-UTUOFQBUSA-N 307.354 -0.817 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)c2cnc(O)n2C)CC1 1228589090 NFJUVTBSHRQYLR-UHFFFAOYSA-N 321.381 -0.378 30 20 DBED CC#CC[C@H](CO)NC(=O)[C@H](C)S(=O)(=O)C1CCOCC1 1261500315 NUDCQNDUNSFEMM-NWDGAFQWSA-N 317.407 -0.141 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)NCC(=O)N(CC)CC 1261944796 FLLZGCBMRHAHND-LBPRGKRZSA-N 311.382 -0.484 30 20 DBED CC(C)(CNC(=O)C(=O)N1CCC[C@@H](C#N)C1)N1CCOCC1 1262221922 DHZRUIICCHNCIT-ZDUSSCGKSA-N 322.409 -0.024 30 20 DBED C#CCOCCC(=O)N[C@H]1CCN(C[C@H]2CCc3ncnn32)C1 1265283771 IQCLZDMPPVLESX-UONOGXRCSA-N 317.393 -0.004 30 20 DBED COCC#CCN1CCC[C@@H](NC(=O)CNC(=O)C2CC2)C1 1266204972 IQVXVUUMIGWRPL-CQSZACIVSA-N 307.394 -0.257 30 20 DBED C=CCN(CCOC)C(=O)C(=O)NCc1cc(C(N)=O)no1 1322866409 FWOMBUOGGIVURU-UHFFFAOYSA-N 310.310 -0.949 30 20 DBED C#CCOCCN(C)CC(=O)N1CCN(C(=O)OCC)CC1 1323092959 CCLNWXBLYQTOLC-UHFFFAOYSA-N 311.382 -0.131 30 20 DBED C[C@H](CO[C@H]1CCOC1)NC(=O)C(=O)N1CC[C@](F)(C#N)C1 1323633217 PRVGUTAZUOPMEV-SUNKGSAMSA-N 313.329 -0.239 30 20 DBED CN1CC[C@@H](C(=O)NS(=O)(=O)c2ccccc2C#N)C1=O 1324121928 XNHBCDIUFSKJDG-JTQLQIEISA-N 307.331 -0.159 30 20 DBED C=CCN(C(=O)C(=O)NC[C@@H]1CC[C@@H](C(=O)N(C)C)O1)C1CC1 1324403984 NJPQQUSICISNBY-STQMWFEESA-N 323.393 -0.085 30 20 DBED CNC(=O)[C@H]1CCC[C@H]1NC(=O)C(=O)NCC1(CC#N)CC1 1324829537 KARFEMMQOURECX-WDEREUQCSA-N 306.366 -0.173 30 20 DBED C=C[C@H](COC)NC(=O)[C@H](C)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 1325638016 CQPKVZUAVUJOQD-ZSIRSIGDSA-N 322.361 -0.146 30 20 DBED C=CC[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)C1 1328147866 YXSQQLVNHLXSDD-AGIUHOORSA-N 323.393 -0.050 30 20 DBED Cc1nc2n(n1)C[C@@H](NC(=O)C(=O)NCCCCC#N)CC2 1328505426 MUMYQJYUKDKIDR-NSHDSACASA-N 304.354 -0.172 30 20 DBED COc1cc(CNC(=O)C(=O)N2CC[C@](O)(CC#N)C2)ccn1 1332179395 FCRYPYAZBGARIC-OAHLLOKOSA-N 318.333 -0.417 30 20 DBED C#CCOCCn1nnnc1N(C)CCS(=O)(=O)CC 1336016502 GBFQANPACTTWBM-UHFFFAOYSA-N 301.372 -0.806 30 20 DBED O=C(NCC#Cc1ccccc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 1336319834 PLZBUZNJDAKZKR-CYBMUJFWSA-N 320.370 -0.542 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)Nc2cnc3c(c2)COCC3)CCO1 1341855964 JCRIEQCXAVNPAZ-LBPRGKRZSA-N 316.317 -0.156 30 20 DBED CC(C)S(=O)(=O)CCNC(=O)C(=O)Nc1ccc(C#N)cn1 1347669139 RPKPGMGLPMMTNQ-UHFFFAOYSA-N 324.362 -0.169 30 20 DBED CS[C@@H](CO)[C@H](C)NC(=O)Cn1cc(C#N)c(O)nc1=O 1362295972 MIUACAJYQXWFJL-CBAPKCEASA-N 312.351 -0.951 30 20 DBED N#C[C@H]1CN(C(=O)Nc2ccc(=O)n(CC(N)=O)c2)CCO1 1366093139 JSMHAJICCIBYTF-JTQLQIEISA-N 305.294 -0.910 30 20 DBED CNC(=O)NCC(=O)N(C)[C@@H](CNC(=O)[C@H](C)C#N)C1CC1 1381753792 YVSUMIIKGTYPBW-KOLCDFICSA-N 309.370 -0.572 30 20 DBED CCc1cc(C(=O)NC[C@@H](O)CNC(=O)[C@H](C)C#N)nn1C 1392127824 GZXBTXOPXYUCLD-KOLCDFICSA-N 307.354 -0.651 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNCc1cccc(C(N)=O)c1 1392366260 PHLHRLMJGHDBEX-GWCFXTLKSA-N 304.350 -0.488 30 20 DBED CS(=O)(=O)CC(=O)NCC1CN(C(=O)c2ccc(C#N)[nH]2)C1 1409127777 RFGFGWGZVCQZPP-UHFFFAOYSA-N 324.362 -0.881 30 20 DBED CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1CC(=O)N(C)C 1411808129 LTKLOHUZSKDHNJ-NSHDSACASA-N 322.369 -0.368 30 20 DBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@@H]1CO 1412700851 DHQGMZGDDIZHHI-ZYHUDNBSSA-N 323.374 -0.182 30 20 DBED C[C@@H]1CSC[C@@H]1NC(=O)NCCn1cc(C#N)c(O)nc1=O 1413813905 GALPSONYTRILHX-SCZZXKLOSA-N 323.378 -0.129 30 20 DBED C[C@@H](C#N)C(=O)NC[C@]1(C)CCN(C(=O)CCn2cnnn2)C1 1417393910 YJZDVKCBKCURCO-FZMZJTMJSA-N 319.369 -0.422 30 20 DBED CCN(CCC#N)C(=O)CN1CC[C@H](NC(=O)c2cn[nH]c2)C1 1417932041 QZJJOOXTZVMQMC-ZDUSSCGKSA-N 318.381 -0.024 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CN(C)[C@@H](C)C(=O)NC(N)=O)CC1 1420936506 RRPWDJWZFXMFHS-QWRGUYRKSA-N 323.397 -0.100 30 20 DBED CCN(CCNC(=O)c1cc(C#N)c[nH]1)C(=O)c1cnnn1C 1429547806 CNLUUUSJEZTHJY-UHFFFAOYSA-N 315.337 -0.093 30 20 DBED CNC(=O)NC(=O)CN1CCC(C)(NC(=O)[C@@H](C)C#N)CC1 1439799832 YJAKVTPMFZVPHT-JTQLQIEISA-N 309.370 -0.428 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CN(C)C(=O)CCc1ccon1 1444699796 YAIZMNKGSQKGCB-CMPLNLGQSA-N 308.338 -0.298 30 20 DBED CCC(=O)NCC(=O)N(C)CCN(C)C(=O)c1cc(C#N)c[nH]1 1452086062 DNZYZSKEEGMYMH-UHFFFAOYSA-N 319.365 -0.057 30 20 DBED N#Cc1ncn(CCNC(=O)NC[C@H]2CC[C@H](C(N)=O)CC2)n1 1470104132 RTDFNEPNRNYTFX-XYPYZODXSA-N 319.369 -0.259 30 20 DBED CCCS(=O)(=O)CC(=O)N1CC[C@H](NCC#CCOC)C1 1490858575 XOVROTHAPBNTOC-ZDUSSCGKSA-N 316.423 -0.349 30 20 DBED CNC(=O)NCC(=O)N[C@@](C)(CNC(=O)[C@@H](C)C#N)C1CC1 1499647160 TUNSZZMDCOLECP-XPTSAGLGSA-N 309.370 -0.524 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](CNC(=O)c1ccc(O)nn1)C1CC1 1524320002 FRKXYKPQBUNUMO-GZMMTYOYSA-N 303.322 -0.034 30 20 DBED C=CCOCC(=O)N1CC[C@@H](N=c2cc[nH]c(C(=O)O)n2)C1 1573369464 TZJOYERTEXROQF-SNVBAGLBSA-N 306.322 -0.188 30 20 DBED C#CC[C@H](CCOC)NC(=O)CN1CCC[C@H](C(=O)O)C1=O 1588393093 BGBRBUWZOAFSCD-NEPJUHHUSA-N 310.350 -0.146 30 20 DBED C#CCNS(=O)(=O)N1CCN([C@H](CC(C)C)C(=O)O)CC1 1588431458 PNXMDIMMLKGQFN-GFCCVEGCSA-N 317.411 -0.429 30 20 DBED C=CCOCCCNC(=O)[C@H](C)n1cnc(-c2nn[nH]n2)n1 1588681951 JCCGORJXBCGGGM-VIFPVBQESA-N 306.330 -0.272 30 20 DBED Cc1nc(C#N)c(-c2nn[nH]n2)n1CC(=O)N1CCOCC1 1592341117 ROKCYDLDXRCHNI-UHFFFAOYSA-N 302.298 -0.898 30 20 DBED Cc1noc(C2CN(c3cnc(-c4nn[nH]n4)c(C#N)n3)C2)n1 1592461028 LYWGMFAWKJROAZ-UHFFFAOYSA-N 310.281 -0.176 30 20 DBED CC[C@@H](C)[C@@H](NC(=O)Cn1c(=O)[nH]cc(C#N)c1=O)C(=O)O 1594908318 FUQRZGKZJHFDGR-GMSGAONNSA-N 308.294 -0.976 30 20 DBED C=C[C@](C)(O)CC(=O)NCCN=c1cc[nH]cc1-c1nn[nH]n1 1602793077 KHCPGPPQSUNOFG-AWEZNQCLSA-N 317.353 -0.461 30 20 DBED CC(CO)(CO)CSc1nc(N)c(C#N)cc1-c1nn[nH]n1 1603565225 OEBMMNKUOPUMLX-UHFFFAOYSA-N 321.366 -0.201 30 20 DBED COCC#CC(=O)NCCNc1ccc(-c2nn[nH]n2)cn1 1605036416 IAEHAROENZRMAD-UHFFFAOYSA-N 301.310 -0.560 30 20 DBED C=CCNC(=O)CN1CCC2(CC1)C[C@@H]2NC(=O)CNC(C)=O 1752414326 BBMBGDWNBSJDMG-ZDUSSCGKSA-N 322.409 -0.605 30 20 DBED CC(C)(C)C(=O)C(=O)N1[C@H]2CC[C@H]1CN(CC(=O)NCC#N)C2 1752532641 UCDMXIZNUDNICG-RYUDHWBXSA-N 320.393 -0.083 30 20 DBED C#CCN1CCN(CCN(C)C(=O)c2ccnc(OC)n2)CC1 1753342254 MHMJZRVLQBMZPB-UHFFFAOYSA-N 317.393 -0.192 30 20 DBED C#CCNC(=O)CNC[C@@](C)(NC(=O)[C@H]1CCOC1)C1CC1 1753514708 NGMPKXITUGUSBK-BLLLJJGKSA-N 307.394 -0.353 30 20 DBED C=CCCn1cc(C(=O)N(C)[C@@H](C)CNCC(=O)NC)nn1 1753716684 ZAINUZPGUALHKU-NSHDSACASA-N 308.386 -0.350 30 20 DBED C#CCN(C)CCN(C)C(=O)c1cc2c(=O)[nH]c(C)cn2n1 1753858802 PYDIPNOLRXITNP-UHFFFAOYSA-N 301.350 -0.032 30 20 DBED COCC#CCNCC[C@H](C)NC(=O)C1CS(=O)(=O)C1 1753968394 MISAKSBXOLKTGG-NSHDSACASA-N 302.396 -0.835 30 20 DBED C=CC(C)(C)C(=O)N[C@H]1[C@H]2C[C@H]1N(CCNS(C)(=O)=O)C2 1754427328 NQTRCISKNVFVIR-TUAOUCFPSA-N 315.439 -0.063 30 20 DBED C=CCNC(=O)CN1CC[C@](O)(CNC(=O)CC(C)(C)O)C1 1754748431 ISNYBFALTLUZCO-HNNXBMFYSA-N 313.398 -0.997 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(CCO)CCNCc1cnn(C)n1 1754890902 GROIUGWDWINMLO-KGLIPLIRSA-N 323.397 -0.683 30 20 DBED N#CCNC(=O)CNC[C@H]1CN(C(=O)c2cncs2)CCO1 1754994101 FSFBTRNODCKWQN-JTQLQIEISA-N 323.378 -0.787 30 20 DBED Cc1cncn1CC(=O)N(C)CCCN(C)CC(=O)NCC#N 1755039154 PNFAGZCCNWFISO-UHFFFAOYSA-N 320.397 -0.388 30 20 DBED CC#CCN1CC(CCO)(NC(=O)c2ccnc3ccnn23)C1 1755332463 ANQSSLXDBYVOSK-UHFFFAOYSA-N 313.361 -0.081 30 20 DBED C#CCCN1C[C@H]2CC[C@H]1CN2C(=O)[C@@H](C)NS(C)(=O)=O 1755397509 IJYLYUNFVLEZBU-FRRDWIJNSA-N 313.423 -0.377 30 20 DBED C[C@@H](NCC(=O)NCC#N)[C@H]1CN(C(=O)C(C)(C)F)CCO1 1755438043 HSHNWQWYCBYSJY-GHMZBOCLSA-N 314.361 -0.420 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(C(=O)C2(NC(N)=O)CC2)[C@H]1C 1756560405 OIRHGMJAARVGBI-QWRGUYRKSA-N 324.381 -0.505 30 20 DBED Cc1ccnc(C(=O)N2C[C@@H](O)[C@H](NC(=O)C#CC3CC3)C2)n1 1756993660 JTSVNTMWXKJNGN-CHWSQXEVSA-N 314.345 -0.500 30 20 DBED C#CCCCC(=O)N(C)C[C@H]1CCN1C(=O)CNC(=O)NC 1757284984 QOXSYRGKVGHMNH-GFCCVEGCSA-N 308.382 -0.222 30 20 DBED N#CCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CCOC3)C2)C1 1784712600 DDALTOLJIVCJLJ-WFASDCNBSA-N 307.350 -0.234 30 20 DBED C[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21 1791046350 PTYUNVHDWLVRIY-MXAVVETBSA-N 320.389 -0.240 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)n1ccnn1)C2 1800455775 QEZMVTTXMZXKEK-NRWUCQMLSA-N 317.349 -0.938 30 20 DBED C[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CCC1 1801985001 VESVJQLWGUFCDI-RVMXOQNASA-N 321.377 -0.349 30 20 DBED CNCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC(=O)O 1801988700 IFEZZRBMYXAGFA-CLLJXQQHSA-N 321.377 -0.288 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CCC(N)=O 1847804279 GRITUIBKEHGWFL-AGIUHOORSA-N 321.377 -0.508 30 20 DBED COc1ccc(C#N)cc1NC(=O)C(=O)NCCCC(N)=O 50167080 BTENMGUXAWJXKW-UHFFFAOYSA-N 304.306 -0.113 30 20 DBED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCOC[C@@H]2C#N)CC1 91622969 QAIRLVPMYSWNTB-GJZGRUSLSA-N 319.409 -0.097 30 20 DBED COCCN1CCN(S(=O)(=O)N(C)CCC#N)C[C@H]1C 117369700 RPBIAFPSCATBBT-GFCCVEGCSA-N 304.416 -0.271 30 20 DBED COc1cc(C#N)ccc1S(=O)(=O)N1CCO[C@@H](CN)C1 262010895 HMOKCRXTYXBJCY-NSHDSACASA-N 311.363 -0.085 30 20 DBED C=CCNC(=O)CNC(=O)Cn1c(=O)n(C)c2ccccc21 271988301 POAFECDWLIKAEQ-UHFFFAOYSA-N 302.334 -0.242 30 20 DBED N#Cc1ccc(S(=O)(=O)NC[C@@H](CO)[C@@H]2CCOC2)cn1 281096097 WKNZMFHIZDEGPQ-MNOVXSKESA-N 311.363 -0.123 30 20 DBED CNC(=O)NCCC(=O)N1CCN(c2ccc(C#N)cn2)CC1 292451323 ITHLQMSCVDCWTR-UHFFFAOYSA-N 316.365 -0.079 30 20 DBED CC(=O)N1CC[C@H](/N=C(/O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)C1 328901050 YQAGJVDGKIGDTO-MJBXVCDLSA-N 310.398 -0.074 30 20 DBED C[C@H](O)C[C@@H]1COCCN1/C(O)=N/CCN1CCN=C(O)C1 329870193 ZYRLEGWCHKXHHZ-NWDGAFQWSA-N 314.386 -0.356 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CC(=O)N[C@@H](C)C2)CC1 330875255 WBGOMVNBSJLCRU-STQMWFEESA-N 322.409 -0.653 30 20 DBED CC(C)N1C[C@H](N/C(O)=N/CCCS(C)(=O)=O)CC1=O 331208162 ZGVKIYGYZCUKHJ-SNVBAGLBSA-N 305.400 -0.066 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CC[C@H](S(C)(=O)=O)C1 336999260 QTKPQIZWURYLLF-JTQLQIEISA-N 309.413 -0.414 30 20 DBED CC(C)[C@H](C#N)N1CCN(C(=O)CN2C[C@H](C)[C@H](O)C2)CC1 341144241 MTPUFQVTQFUJBL-SOUVJXGZSA-N 308.426 -0.009 30 20 DBED COC(=O)[C@H](O)CNC(=O)COc1ccc(C#N)cc1OC 345199478 IUKMKUDBHWTTMU-SNVBAGLBSA-N 308.290 -0.404 30 20 DBED C=CCNC(=O)CNC(=O)C(=O)Nc1cc(C)n([C@@H](C)CC)n1 347225988 CRILNVGZQHBWBV-JTQLQIEISA-N 321.381 0.519 30 20 DBED C=CCNC(=O)CNC(=O)CN(C)C(=O)[C@@H](C)n1cccn1 347889873 GOHITQFGTFDIAH-LLVKDONJSA-N 307.354 -0.679 30 20 DBED N#Cc1ncn(CCNC(=O)Nc2cccc(C(N)=O)n2)n1 350195076 VMEPUPDEJMNMAF-UHFFFAOYSA-N 300.282 -0.535 30 20 DBED CCOC(=O)C(NC(=O)c1cnn(C)c1C#N)C(=O)OCC 353822119 DYNADVIHQPZDFJ-UHFFFAOYSA-N 308.294 -0.484 30 20 DBED COC(=O)CN(CC#N)S(=O)(=O)c1cn2c(n1)CCCC2 355620316 PJZFGJZXYJJBTP-UHFFFAOYSA-N 312.351 -0.093 30 20 DBED COCC[C@]1(NC(=O)NCCn2cnc(C#N)n2)CCOC1 357876613 JGIJIFMEMSJFMQ-ZDUSSCGKSA-N 308.342 -0.355 30 20 DBED COCCN1C[C@H](C(=O)NC[C@H]2CCCN(CC#N)C2)CC1=O 359433078 VPZLAODTZRVDPR-ZIAGYGMSSA-N 322.409 -0.167 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N1CCSC[C@@H]1C(N)=O 407951864 DGULIVDDLSSMON-RKDXNWHRSA-N 306.413 -0.775 30 20 DBED Cc1nnc(N2CCS(=O)(=O)[C@@H](C(=O)O)C2)c(C#N)c1C 424476364 UJJXHFCWPIWVSM-SNVBAGLBSA-N 310.335 -0.347 30 20 DBED N#Cc1c(Cl)cccc1S(=O)(=O)N1C[C@H](O)[C@@H](O)C1 434770030 YCPXVSJBJSKQKT-UWVGGRQHSA-N 302.739 -0.062 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CC(S(C)(=O)=O)C1 452071529 RPMRUJIUMPMESI-VIFPVBQESA-N 309.413 -0.558 30 20 DBED C#CCNS(=O)(=O)c1cccc(C(=O)O[C@H]2CNOC2)c1 491071861 NZPSKJNQPWXRDD-NSHDSACASA-N 310.331 -0.342 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CCOC[C@@H]2C)CC1 491815123 UJERFJRCOLZIRL-UONOGXRCSA-N 307.394 -0.447 30 20 DBED COc1ncnc(N(C)C)c1NC(=O)C(=O)NC[C@@H](C)C#N 539268836 VGFWHBSMEIRTNC-QMMMGPOBSA-N 306.326 -0.234 30 20 DBED CC1(C#N)CN(C(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)C1 576445860 DTRLJFJPTFPXFA-CNVPUSNMSA-N 303.318 -0.479 30 20 DBED N#Cc1cccc(NC(=O)NC[C@@]2(O)CCS(=O)(=O)C2)n1 592262962 QUFBBPRCGYWKSR-LBPRGKRZSA-N 310.335 -0.376 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@H](C)C1(CO)CC1 594826614 GTBYFYCEHICECM-LLVKDONJSA-N 305.400 -0.156 30 20 DBED CCC[C@H](C(=O)Nc1cc(C)n(CCC#N)n1)S(N)(=O)=O 597460454 QSKMRKOUVUGBOI-SNVBAGLBSA-N 313.383 0.501 30 20 DBED CNS(=O)(=O)CCN1CC[C@@H](Oc2ccc(C#N)cn2)C1 598616465 BBDYDQRETMRWFV-GFCCVEGCSA-N 310.379 -0.044 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1CCc2cnc(N)nc2C1 598946141 CVHMZSIIGYBCCD-VIFPVBQESA-N 304.354 -0.183 30 20 DBED CCC(O)(CC)CN(C)S(=O)(=O)N1CCO[C@H](C#N)C1 599508298 ZYINJTDUQSFYCW-LLVKDONJSA-N 305.400 -0.062 30 20 DBED CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N1CC[C@](F)(C#N)C1 615589264 GLBLMUBJVMQBAS-RISCZKNCSA-N 310.329 -0.422 30 20 DBED COCCN(CCC#N)S(=O)(=O)N(C)C[C@H](O)C1CC1 619712700 GZWNUONFAABRPJ-LBPRGKRZSA-N 305.400 -0.204 30 20 DBED O=S(=O)(NCC#CCO)c1cccnc1OCC(F)F 632515692 ITWOKINOPPJVJM-UHFFFAOYSA-N 306.290 -0.001 30 20 DBED C=CCN(C)C(=O)C(=O)N[C@@H]1CCN(C2CCN(C)CC2)C1 672640434 IUARVGOGRDGGLK-CYBMUJFWSA-N 308.426 -0.085 30 20 DBED C#CCNC(=O)[C@@H](C)OC(=O)c1ccc(S(N)(=O)=O)c(C)c1 730894712 VJVDGMHGILZRBL-SNVBAGLBSA-N 324.358 -0.063 30 20 DBED CN(CCC#N)S(=O)(=O)N1CCSC[C@H]1CC(=O)O 737412681 UZXVCIYENLTNPW-SECBINFHSA-N 307.397 -0.031 30 20 DBED CNS(=O)(=O)c1ccc2c(c1)N(CC(=O)NCCC#N)CC2 741805697 SNJOXYYIEJEMMF-UHFFFAOYSA-N 322.390 -0.013 30 20 DBED CC#CCOC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 744457488 WNTCXTYZVFUMSX-JTQLQIEISA-N 312.347 -0.282 30 20 DBED C#CCN1CCC(C(=O)OCC(=O)NC(=O)NC2CC2)CC1 772113031 IAYVSFRXLVYFOG-UHFFFAOYSA-N 307.350 -0.137 30 20 DBED C=CCCC(=O)OCC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1 778114805 OMRCIUROBULLHE-SECBINFHSA-N 318.351 -0.491 30 20 DBED C#CCC[C@@H](O)CNS(=O)(=O)c1cncc(C(=O)OC)c1 798486635 HUIXXYJAUPIUKN-LLVKDONJSA-N 312.347 -0.079 30 20 DBED C#CCCCS(=O)(=O)N1CCC[C@H](CS(N)(=O)=O)C1 805010243 YMPVYECLROPAGI-NSHDSACASA-N 308.425 -0.270 30 20 DBED CC(C)(C)OC(=O)CS(=O)(=O)CCn1cnc(C#N)n1 806580756 QPTBAMKZOXXBPV-UHFFFAOYSA-N 300.340 -0.094 30 20 DBED N#CCNC(=O)COC(=O)[C@@]1(c2ccccc2)CNC(=O)C1 811237643 WQWCMFSZPYHYHM-OAHLLOKOSA-N 301.302 -0.373 30 20 DBED C#CC1(O)CN(C(=O)NCCNC(=O)Cc2cccc(F)c2)C1 892535913 UDPXQWSNTWFOFY-UHFFFAOYSA-N 319.336 -0.126 30 20 DBED N#Cc1ccc(OC[C@H](O)CNCCN2CCNC2=O)cc1 905481990 PFSWETJUMPLPMR-CYBMUJFWSA-N 304.350 -0.087 30 20 DBED COCCCNC(=O)[C@@H](C#N)C(=O)CCCN1C(=O)CCC1=O 916870127 AWMOHCGZZRUWMS-NSHDSACASA-N 323.349 -0.223 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(NC(=O)[C@H]2CC(=O)N(C)C2)CC1 948106309 KKZOCFSXKNRIAP-QWRGUYRKSA-N 306.366 -0.268 30 20 DBED C[C@H](C#N)C(=O)N1CC(N(C)C(=O)C[C@@H]2CCC(=O)NC2)C1 954452806 ICTDPHBIFFPQHM-MNOVXSKESA-N 306.366 -0.268 30 20 DBED C[C@@H]1C[C@H](NC(=O)Cn2cnnn2)CCN1C(=O)C#CC1CC1 955674273 KZUDKCDGWMYFQD-DGCLKSJQSA-N 316.365 -0.418 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2ccn(CC(F)F)n2)C1 958163924 HBMFUAQPHPYREI-CMPLNLGQSA-N 312.320 -0.196 30 20 DBED N#CCN1C[C@@H](O)[C@H](CNC(=O)c2ccc3nc(O)[nH]c3c2)C1 958448247 MXURUFDKNOQPTP-ZWNOBZJWSA-N 315.333 -0.185 30 20 DBED N#CCN1C[C@H](CNC(=O)c2cc3c(nc2O)CCC3)[C@@H](O)C1 958668585 YLRZVSLIQQMOQK-FZMZJTMJSA-N 316.361 -0.178 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](CNC(=O)c2cccc(C(N)=O)n2)C1 958736141 JNYMWUXPABWYQE-RISCZKNCSA-N 318.377 -0.221 30 20 DBED Cc1ncncc1C(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1O 961706259 HMTSTHUKZPZILU-AXTRIDKLSA-N 303.322 -0.754 30 20 DBED C=C(Cl)CN1C[C@H]2[C@H](NC(=O)CN3C(=O)CNC3=O)[C@H]2C1 962480755 DPBVJORIJXMNEK-GDGBQDQQSA-N 312.757 -0.663 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@H](NC(=O)Cc2ccnn2C)C1 962540777 CUBLMHIHRPQMQW-OLZOCXBDSA-N 320.393 -0.137 30 20 DBED C[C@H](C#N)C(=O)N1CC2(C[C@H](NC(=O)c3cocn3)CO2)C1 965643145 HPSCUHDICPPFDW-ZJUUUORDSA-N 304.306 -0.066 30 20 DBED CC1(C)CN(C(=O)C(N)=O)CC[C@@H]1NC(=O)c1c[nH]c(C#N)c1 967022314 YMNCRABZKJBDNH-NSHDSACASA-N 317.349 -0.271 30 20 DBED C[C@@H](NC(=O)c1c[nH]c(C#N)c1)C1CN([C@H]2CCNC2=O)C1 969526844 QFHRTBYKTAVVBG-RNCFNFMXSA-N 301.350 -0.175 30 20 DBED C#CCN1CCC(C(=O)N2CC[C@@H](N[C@H](C)C(N)=O)C2)CC1 970789069 UJTMXRKMBXUSJF-TZMCWYRMSA-N 306.410 -0.604 30 20 DBED C#CCCN1CCO[C@]2(CCN(C(=O)c3cnn(C)c3N)C2)C1 972354913 HAZBRVGUROZXOE-MRXNPFEDSA-N 317.393 -0.058 30 20 DBED C#Cc1cncc(C(=O)N2CC[C@@]3(CN(CCO)CCO3)C2)c1 972546346 NUOGRRMUIPCKTC-QGZVFWFLSA-N 315.373 -0.028 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]1CN(C)C(=O)c1ccc(=O)n(C)n1 978425513 BXQJSWJIASYRQL-WDEREUQCSA-N 317.349 -0.387 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CN(C)C(=O)[C@@H]2CCNC2=O)CC1 988631728 WMEGIJJPULTZHU-DGCLKSJQSA-N 320.393 -0.021 30 20 DBED C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)CN2CC(=O)NC2=O)C1 989565335 FUDNZIBIUFHADJ-UWVGGRQHSA-N 314.773 -0.130 30 20 DBED C=CCn1cc(C(=O)N2CC(NC(=O)[C@H]3C[C@@H]3OCC)C2)nn1 990348706 ZXWDZXREDPMXOB-AAEUAGOBSA-N 319.365 -0.170 30 20 DBED N#CCN1CC[C@@]2(NC(=O)CN3CCNC(=O)C3)CCC[C@@H]12 992086625 SBSQAJFWNBDOAF-DOMZBBRYSA-N 305.382 -0.945 30 20 DBED C[C@H](C#N)C(=O)N1CC(NC(=O)[C@@H](C)N2CCCCC2=O)C1 993811686 MGSOEDXWNOMJIH-GHMZBOCLSA-N 306.366 -0.126 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@@H]2CN(C(C)=O)CCO2)CC1(C)C 996574491 NFNGKPYWTFIAQG-UONOGXRCSA-N 307.394 -0.307 30 20 DBED C=CCN[C@H]1CN(C(=O)[C@H]2CCS(=O)(=O)N2)CC1(C)C 996639751 BSODGFGGZCULIU-MNOVXSKESA-N 301.412 -0.309 30 20 DBED C#CCN1CCC(C(=O)N2C[C@H](NCC(N)=O)C(C)(C)C2)CC1 996665389 BUCLSYGQXJKZDJ-AWEZNQCLSA-N 320.437 -0.357 30 20 DBED CN1CCC[C@@H]1C(=O)NCc1cn([C@H]2CCN(CC#N)C2)nn1 999963890 VCSGGDPLZPIPNH-UONOGXRCSA-N 317.397 -0.241 30 20 DBED C#CCN1CC[C@H](n2cc(CNC(=O)c3cnon3)nn2)C1 1000035900 NANDGPTXGHNAEV-NSHDSACASA-N 301.310 -0.529 30 20 DBED C#Cc1ccccc1CC(=O)N1CC(NC(=O)Cc2nc[nH]n2)C1 1000183906 CIYHXNIFSGSERJ-UHFFFAOYSA-N 323.356 -0.102 30 20 DBED C#Cc1ccc(C(=O)N2CC(NC(=O)Cc3nc[nH]n3)C2)nc1 1000186960 JIYZQJPMAPULIJ-UHFFFAOYSA-N 310.317 -0.636 30 20 DBED CN(C)C(=O)Cn1cc(C(=O)N2CCC[C@H](NCC#N)C2)nn1 1001000640 SPLQIUATIDPTQS-NSHDSACASA-N 319.369 -0.916 30 20 DBED C=C[C@@](C)(CC)C(=O)N1CC[C@@]2(CN(C(=O)C(N)=O)CCO2)C1 1007718544 NYFFJFNOJJCYRK-JKSUJKDBSA-N 323.393 -0.096 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C(=O)c2cc(=O)n(C)cn2)CC1 1011315655 AQSHEOXURZTZNE-SNVBAGLBSA-N 303.322 -0.776 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C(=O)c2cnc3n2CCOC3)CC1 1011319610 JSHFUEKCKBCPIP-NSHDSACASA-N 317.349 -0.143 30 20 DBED C[C@@H]1C[C@@H](NC(=O)Cn2cnnc2O)CN1C(=O)C#CC1CC1 1012583533 ZKWRFCUVZRHKBG-ZYHUDNBSSA-N 317.349 -0.497 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2nc(O)nc(O)c2OC)C1 1015989713 XCLKTENFPFFWHT-SECBINFHSA-N 306.322 -0.276 30 20 DBED C#CCN1CCC2(CC1)C[C@H]2NC(=O)c1nnc(O)nc1O 1016708559 HJABLCVKUVJSIH-SECBINFHSA-N 303.322 -0.500 30 20 DBED N#CCN1CCC2(CC1)C[C@H]2NC(=O)[C@@H]1CCS(=O)(=O)N1 1016977962 CXHITDADDVCDGT-WDEREUQCSA-N 312.395 -0.828 30 20 DBED N#Cc1cc(C(=O)N[C@H]2C[C@H](N[C@H]3CCC(=O)NC3=O)C2)c[nH]1 1020088175 CVGSMZRZAHIDIY-NHCYSSNCSA-N 315.333 -0.458 30 20 DBED O=C(N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O)c1csnn1 1024835846 WMLIXTGCHVZERF-MWLCHTKSSA-N 306.347 -0.747 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2[nH]nnc2C)C1 1024987947 BNRWLYWJYHVXAF-NXEZZACHSA-N 307.354 -0.373 30 20 DBED CCn1nc(C)cc1C(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1O 1025778383 OCOUYDVWWMTARE-UFGOTCBOSA-N 319.365 -0.327 30 20 DBED C#CCCN1CCO[C@@H](CNC(=O)c2ccn(C)c(=O)c2)C1 1035421394 ZGGVYRHENMPTIN-AWEZNQCLSA-N 303.362 -0.161 30 20 DBED N#CCN1CCO[C@@H](CNC(=O)[C@H]2CCc3nncn3CC2)C1 1035446516 LNJRVHFJVHDWSW-STQMWFEESA-N 318.381 -0.429 30 20 DBED N#CCN1CCO[C@H](CNC(=O)[C@H]2CCCc3nn[nH]c32)C1 1035491681 YLVHDAWOAFTNMF-MNOVXSKESA-N 304.354 -0.435 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)c2cn(CC3CC3)nn2)C1 1035558185 AAFJXZXOOXDUGH-ZDUSSCGKSA-N 303.366 -0.248 30 20 DBED N#CCN1CCO[C@H](CNC(=O)[C@H]2CCc3nc[nH]c3C2)C1 1035572653 CZFXZJWOMPEDOW-NWDGAFQWSA-N 303.366 -0.145 30 20 DBED C=CCCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)Cn1ccc(=O)n(C)c1=O 1037425507 MMQBBVXOSDAESR-TYNCELHUSA-N 318.377 -0.688 30 20 DBED C=C(Cl)CN1CC[C@@H]1CNC(=O)[C@@H]1CC(=O)NC(=O)N1 1038750011 AMUGYTJTIMMFKQ-BDAKNGLRSA-N 300.746 -0.473 30 20 DBED CCn1ccnc1C(=O)NC[C@]1(O)CCN(C(=O)[C@@H](C)C#N)C1 1039582726 UKGGLYQKVKECDN-XHDPSFHLSA-N 319.365 -0.244 30 20 DBED N#CCN1[C@H]2CCC[C@H]1CN(C(=O)[C@@H]1CCS(=O)(=O)N1)C2 1040009027 XJHWKZWAEXPRQL-SRVKXCTJSA-N 312.395 -0.733 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)c2ccc(C#N)[nH]2)C1 1040763051 NHGFQJDYZYMYCG-BONVTDFDSA-N 315.333 -0.261 30 20 DBED C#Cc1ccc(C(=O)N2CC(O)(CNC(=O)COCC)C2)cn1 1041307050 MLJHDSPFKTWEBE-UHFFFAOYSA-N 317.345 -0.598 30 20 DBED N#CCN1CC[C@]2(CCN(C(=O)C3CC(=O)NC(=O)C3)C2)C1 1041740428 URULGBIBJFFEEM-HNNXBMFYSA-N 304.350 -0.513 30 20 DBED C=C[C@@H](CC)CC(=O)N1CC(O)(CNC(=O)CC(=O)NC)C1 1042741164 GXOCQPWZWOMONK-NSHDSACASA-N 311.382 -0.586 30 20 DBED C=C[C@H](C(=O)NCC1(O)CN(C(=O)C(N)=O)C1)c1ccccc1 1043304589 OHMUCWWYAPKDNU-LBPRGKRZSA-N 317.345 -0.869 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)[C@H]3CCOC3)C2)nn1 1043868134 UCNXITFPTYPTEH-WCQGTBRESA-N 303.322 -0.950 30 20 DBED N#Cc1cnc(N2C[C@H](O)[C@H](NC(=O)c3ncccn3)C2)cn1 1044129903 OZUYCLYFDQFPFI-MNOVXSKESA-N 311.305 -0.882 30 20 DBED N#Cc1cnc(N2C[C@H](O)[C@H](NC(=O)c3cc(F)c[nH]3)C2)cn1 1044337583 TUDAHVKOWQMKGI-NEPJUHHUSA-N 316.296 -0.205 30 20 DBED C=C(C)C(C)(C)C(=O)NCC1(O)CN(C(=O)C2(C(N)=O)CC2)C1 1044404916 MZXKEKHEUZAYKH-UHFFFAOYSA-N 323.393 -0.456 30 20 DBED CC(C)N1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@@H](C)C#N)C1 1045553009 ZDGLYEYZJUOIFK-STQMWFEESA-N 322.409 -0.292 30 20 DBED C=CCCC1(C(=O)NCC2(O)CN(C(=O)c3nc[nH]n3)C2)CC1 1045772506 HKOWVGZAJVWTDP-UHFFFAOYSA-N 319.365 -0.146 30 20 DBED C#CCN1CC[C@@H](N2CCN(C(=O)Cc3cc[nH]n3)CC2)C1 1046018040 SWNURYDNZRYJBE-OAHLLOKOSA-N 301.394 -0.196 30 20 DBED Cc1nn[nH]c1C(=O)N1CCN([C@@H]2CCN(CC#N)C2)CC1 1046050762 OPSSMELFUIPERZ-GFCCVEGCSA-N 303.370 -0.531 30 20 DBED C#CCN1CC[C@](C)(NC(=O)[C@@H]2CC(=O)N(CCOC)C2)C1 1046367054 WTRROLCGCCNAPI-CJNGLKHVSA-N 307.394 -0.305 30 20 DBED C=CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C(N)=O)[nH]2)C1 1047529571 GONDOWLFUGIJFN-STQMWFEESA-N 306.366 -0.193 30 20 DBED C=CCO[C@H](C)C(=O)N(C)[C@H]1CN(C(=O)CSC)C[C@@H]1O 1049011209 OUZQFVMQBVWWHH-WOPDTQHZSA-N 316.423 -0.029 30 20 DBED C=CCN1C[C@H]2CN(C(=O)CN3C(=O)CN(C)C3=O)C[C@H]2C1 1049205485 OHIFSNSAEPRKDX-TXEJJXNPSA-N 306.366 -0.543 30 20 DBED C=CCCC1(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)C(N)=O)C2)CC1 1049365837 IRALVPOZSSBFFW-QWRGUYRKSA-N 309.366 -0.752 30 20 DBED Cc1ocnc1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)C#N)C1 1049388072 FXEKTCWXRRJYKZ-MIMYLULJSA-N 306.322 -0.214 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)CCn2ccnc2)C[C@@H]1O 1049408180 PNFGTQXSIZTEOF-AVGNSLFASA-N 319.365 -0.537 30 20 DBED CN1CCN(CC(=O)N2CCC[C@@H]3[C@@H]2CCN3CC#N)CC1=O 1049561555 MTXSVXITMPDIDZ-KGLIPLIRSA-N 319.409 -0.651 30 20 DBED CC(C)C#CC(=O)N1CC[C@H]([C@@H](C)NC(=O)Cn2cnnn2)C1 1050640848 HHTFJTOADQXEFO-OLZOCXBDSA-N 318.381 -0.314 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)c1cnc2[nH]nnc2c1 1050956001 UOPWTEZGAKWOLN-NSHDSACASA-N 300.322 -0.583 30 20 DBED CC#CCN1CCOC[C@@H]1CNC(=O)c1cn(C)nc1OC 1051054954 ADZZYYVIZJAOAM-LBPRGKRZSA-N 306.366 -0.117 30 20 DBED CC#CCN1CCOC[C@@H]1CNC(=O)c1ccc(=O)n(C)n1 1051237334 QTOQZMGDSXNPIA-LBPRGKRZSA-N 304.350 -0.766 30 20 DBED N#Cc1c[nH]ccc1=NC1CC(CNC(=O)[C@@H]2CNC(=O)N2)C1 1052073228 VAKZVQYIXWYFBT-OCTTZUBCSA-N 314.349 -0.637 30 20 DBED N#Cc1cnc(NC2CC(CNC(=O)[C@@H]3CNC(=O)N3)C2)cn1 1052073246 VNVRQPJTDLDOEZ-AMUVOQDHSA-N 315.337 -0.664 30 20 DBED Cc1ccnn1CC(=O)N1CC[C@H](N2CCN(CC#N)CC2)C1 1052088494 KDSVELKPHPCTTC-HNNXBMFYSA-N 316.409 -0.066 30 20 DBED N#CCN1CCN([C@@H]2CCN(C(=O)c3ncccn3)C2)CC1 1052099520 LILDJPYCEDINAZ-CYBMUJFWSA-N 300.366 -0.168 30 20 DBED C#CCN1CC2(C1)CN(C(=O)c1cn(CCOC)nn1)CCO2 1053250868 SFJRQHPLECLCBD-UHFFFAOYSA-N 319.365 -0.916 30 20 DBED N#CCN1CC2(C1)CN(C(=O)CCc1cncnc1)CCO2 1053340315 AGXPWYVBXQKUAM-UHFFFAOYSA-N 301.350 -0.154 30 20 DBED N#CCN1CC2(CC[C@@H](CNC(=O)[C@H]3CC[C@@H](C(N)=O)C3)O2)C1 1053663394 OQDQKGULAQXGAW-AGIUHOORSA-N 320.393 -0.239 30 20 DBED C[C@]1(C(=O)N[C@H]2COC3(C2)CN(CC#N)C3)CCNC(=O)C1 1053843544 PMTHGPOHFAOCGV-RISCZKNCSA-N 306.366 -0.614 30 20 DBED C=C(C)CN1CC2(C[C@@H](NC(=O)[C@@H]3CN(C)C(=O)N3)CO2)C1 1053890446 AXGUGNIJGLVTRU-NEPJUHHUSA-N 308.382 -0.454 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)[C@@]3(C)CCNC3=O)CO2)C1 1053925199 GXCWQVIVEZQYPF-WFASDCNBSA-N 305.378 -0.505 30 20 DBED C[C@H]1CCCN(C(=O)C(=O)N[C@@H]2COC3(C2)CN(CC#N)C3)C1 1053948010 DNUOOMRWAGXJIY-STQMWFEESA-N 320.393 -0.272 30 20 DBED CNC(=O)NCC(=O)N1CCC[C@H]2CN(C(=O)[C@H](C)C#N)C[C@H]21 1056678931 UZZLAZLVFMLOAE-GRYCIOLGSA-N 321.381 -0.476 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NCCN(CCO)C(=O)COC 1056791186 QGAKOLXZVQXFLF-OLZOCXBDSA-N 314.382 -0.449 30 20 DBED CN(c1cncc(C#N)n1)[C@H]1CCN(C(=O)c2cn(C)nn2)C1 1056917010 MINATLQLVPNCPW-NSHDSACASA-N 312.337 -0.172 30 20 DBED C=C[C@](C)(O)CC(=O)NCCN(CCO)C(=O)CCCOC 1057079745 YMBSRWIWWVKKBO-HNNXBMFYSA-N 316.398 -0.323 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)[C@H]1CCCO1 1057194054 XUCQTMVLNFGXSL-GFCCVEGCSA-N 300.355 -0.695 30 20 DBED C=C[C@@](C)(O)CC(=O)N(CCO)CCNC(=O)c1ccccn1 1057450275 ONMYARVLHNMOFB-MRXNPFEDSA-N 321.377 -0.041 30 20 DBED Cn1cnc(C(=O)N2CCC[C@@H](N=c3cc[nH]c(C#N)n3)C2)n1 1057637466 JROAGXZTYYZXKN-SNVBAGLBSA-N 312.337 -0.385 30 20 DBED C=CC(C)(C)CC(=O)N(CCO)CCNC(=O)c1cnn[nH]1 1057697037 HTPMHZWTQXOKLM-UHFFFAOYSA-N 309.370 -0.042 30 20 DBED C#CCO[C@H](C)C(=O)NCCN(CCO)C(=O)c1cncn1C 1058030985 WIGXXQKOTIRVCZ-GFCCVEGCSA-N 322.365 -0.991 30 20 DBED C[C@H](C(=O)N[C@H]1CCN(c2ccc(C#N)nn2)C1)n1cncn1 1058318955 JUUKGYDQZRXFGL-PWSUYJOCSA-N 312.337 -0.104 30 20 DBED CN1CCOC[C@H]1C(=O)N[C@@H]1CCN(c2ccnc(C#N)n2)C1 1058319605 YDGVJNHOCXWOFX-NEPJUHHUSA-N 316.365 -0.626 30 20 DBED CN(C[C@H]1CCCN(C(=O)C(N)=O)C1)c1nccnc1C#N 1058702302 NSOBVAIZRWYXLH-SNVBAGLBSA-N 302.338 -0.492 30 20 DBED CN1CCOC[C@H]1C(=O)N1CC[C@H](N=c2cc[nH]c(C#N)n2)C1 1058855216 VCCCNEQQKBSAAX-RYUDHWBXSA-N 316.365 -0.886 30 20 DBED C=CCOCC(=O)NCC[C@H]1CCN(C(=O)Cn2nccn2)C1 1059710389 LWCBNVIWNGHYNQ-ZDUSSCGKSA-N 321.381 -0.165 30 20 DBED CC(=O)N(C)CC(=O)NC[C@@H]1COCCN1C(=O)C#CC(C)C 1061323596 RVUXGHFARGSINT-CQSZACIVSA-N 323.393 -0.532 30 20 DBED CC(C)(C)C#CC(=O)N1CCOC[C@@H]1CNC(=O)c1nc[nH]n1 1061767107 WXXWRARJOXMCON-NSHDSACASA-N 319.365 -0.189 30 20 DBED Cc1ncn(C)c1C(=O)N1CCOC[C@@H]1CNC(=O)[C@@H](C)C#N 1061852721 LYXVKOBGPDWWKY-JQWIXIFHSA-N 319.365 -0.155 30 20 DBED COC[C@H](OC)C(=O)NC[C@@H]1COCCN1C(=O)C#CC1CC1 1061880074 ATGRTNDUKBNTCR-KGLIPLIRSA-N 324.377 -0.595 30 20 DBED C#CCNC(=O)CC(=O)NC1(CNC(=O)C[C@@H](C)OC)CCC1 1062678538 CJTCTCYORRTPEX-GFCCVEGCSA-N 323.393 -0.294 30 20 DBED CN(C(=O)Cn1ncnn1)[C@H]1CCN(c2nccnc2C#N)C1 1062979997 HKVWQJYMUFCGHZ-JTQLQIEISA-N 313.325 -0.928 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CCOC2)CCO1 1064935451 RPCMZSRZIXSOJN-ZIAGYGMSSA-N 324.377 -0.594 30 20 DBED C[C@]1(CNc2cncc(C#N)n2)CCN(C(=O)CC(N)=O)C1 1065402530 DYHWTBKPJPNGMQ-CQSZACIVSA-N 302.338 -0.126 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2c[nH]nc2C)CCO1 1065414428 ZQBPTXXVMLGJEA-GFCCVEGCSA-N 322.365 -0.122 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H]1CCCN(C(=O)CNC(C)=O)CC1 1066166808 OVROMKOXOSJDOZ-JSGCOSHPSA-N 323.393 -0.342 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCOC2(CN(C(=O)[C@@H](C)C#N)C2)C1 1068395868 DOFOOAZAMFMRPH-STQMWFEESA-N 319.361 -0.376 30 20 DBED C=CCC(C)(C)C(=O)N1CC2(C[C@H](NC(=O)CC(N)=O)CO2)C1 1068785143 ZKTMDWJENDJQDV-NSHDSACASA-N 323.393 -0.050 30 20 DBED CCN(CC)CC(=O)N[C@H]1COC2(C1)CN(C(=O)[C@@H](C)C#N)C2 1068875309 OXXFRESTMWVPGU-QWHCGFSZSA-N 322.409 -0.026 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CN(CCO)C[C@@H]2n2ccnn2)c[nH]1 1069911786 SBGHSALKWKROEV-OLZOCXBDSA-N 315.337 -0.875 30 20 DBED C=CCN[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1c1cncn1C 1070702109 MZVWBFYPNBIRPS-DGCLKSJQSA-N 315.381 -0.068 30 20 DBED N#CCN1CCNC(=O)CCN(C(=O)c2cc[n+]([O-])cc2)CC1 1070936775 RWEAYGZTAZZJRM-UHFFFAOYSA-N 317.349 -0.892 30 20 DBED C=CCOCC(=O)N[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 1071348650 MMLYBVPSCRJZSR-UTUOFQBUSA-N 309.366 -0.582 30 20 DBED C#CCOCCC(=O)N[C@H]1CCN(C(=O)C(N)=O)CC1(C)C 1073393449 JUUUTUBIGOEWPR-NSHDSACASA-N 309.366 -0.745 30 20 DBED C=CCOCC(=O)N1CC[C@@H](NC(=O)Cn2nccn2)[C@H](C)C1 1073983012 LODGYPBAZFUCDW-CHWSQXEVSA-N 321.381 -0.166 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN2c2nccs2)C1 1077446304 BZALVCSFNPCZAY-FRRDWIJNSA-N 320.418 -0.094 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)C(C)(C)N2CCOCC2)C1 1077841003 XWPZPDHBAJGFFK-ZIAGYGMSSA-N 309.410 -0.718 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3nn[nH]c3C2)C1 1077999569 QRTUWOYOBCGIKG-ZLKJLUDKSA-N 305.382 -0.353 30 20 DBED C#CCNC(=O)CC(=O)N(CC)C1CN(C(=O)c2cocn2)C1 1079644315 CQPGTRJULDDKMJ-UHFFFAOYSA-N 318.333 -0.513 30 20 DBED CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)[C@H]2CN(C)CCO2)C1 1080411368 KHEGLAQJXZNKAA-WCQYABFASA-N 308.382 -0.464 30 20 DBED C=CCCN1C[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)[C@H](C)C1 1080872752 JAZWYOIUXMNWTL-DGCLKSJQSA-N 307.398 -0.097 30 20 DBED C#CCCCCC(=O)NC[C@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1O 1081416797 KJPJXFQUOCRCJW-RYUDHWBXSA-N 319.365 -0.453 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CCCCN1C(=O)Cn1cnnn1 1081870049 JAUDXBBXPAAZHQ-ZDUSSCGKSA-N 318.381 -0.170 30 20 DBED C[C@@H](C#N)C(=O)N1CCCC[C@H]1CNC(=O)[C@H](C)NC(N)=O 1082267469 QOJSJJSLZDWLAC-DCAQKATOSA-N 309.370 -0.300 30 20 DBED C[C@@H]1CN(C(=O)[C@H]2COCCN2CC(F)F)C[C@H]1NCC#N 1082664839 LOIIRJZYSZNKAE-IJLUTSLNSA-N 316.352 -0.088 30 20 DBED C#Cc1ccc(C(=O)N2C[C@@H](N[C@H](C)C(N)=O)[C@H](C)C2)nc1 1082870439 WTYYADINSOTTOX-JTNHKYCSSA-N 300.362 -0.013 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCc3nc(C)nn3C2)C1 1083662617 AWJQRPZZFVWVPF-MCIONIFRSA-N 317.393 -0.666 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)c2ccc(C(N)=O)nc2)C1 1084116583 XKGMHVPEGGXEJH-NEPJUHHUSA-N 324.768 -0.292 30 20 DBED CNC(=O)CN1CC[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)[C@@H]2C1 1084288896 GLRRYJMNDPWCQH-ZWNOBZJWSA-N 301.350 -0.221 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]2CCN(Cc3nnn(C)n3)[C@H]2C1 1084906089 BBYMWHGMUVAUDJ-UTUOFQBUSA-N 303.370 -0.207 30 20 DBED CN(C)C(=O)[C@@H]1CC[C@H](C(=O)NC[C@H]2C[C@@H](NCC#N)C2)O1 1086196420 JPGVJZNDQAUCRI-XQHKEYJVSA-N 308.382 -0.370 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1c1cnn(C)c1 1086977543 AELWUYPRXCXNEK-QWHCGFSZSA-N 313.365 -0.620 30 20 DBED Cc1nnc2ccc(C(=O)N[C@@H]3CCN(CC#N)C[C@H]3O)cn12 1090377159 HTSCCFGDMPTLQA-CHWSQXEVSA-N 314.349 -0.274 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2csc(NC(C)=O)n2)[C@H](O)C1 1090382097 OQJKAFYVKJSIIU-ZYHUDNBSSA-N 322.390 -0.100 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(c2ncnc3[nH]cnc23)C[C@H]1O 1090418798 VLTVBTHRPYGVLL-GHMZBOCLSA-N 314.349 -0.178 30 20 DBED C#CCCN1CC[C@@H](NC(=O)Cc2ccc(O)nc2)[C@H](O)C1 1090442271 RNNSWPOMRCZNEC-ZIAGYGMSSA-N 303.362 -0.096 30 20 DBED C#CCN1CC[C@H](NC(=O)c2c(C)c[nH]c2CC(N)=O)[C@H](O)C1 1090582496 BKOJBRUXZNQRCK-WCQYABFASA-N 318.377 -0.851 30 20 DBED CC#CCN1CC[C@H](NC(=O)Cn2c(C)csc2=O)[C@H](O)C1 1090795926 MKICYXKTVPMVPA-QWHCGFSZSA-N 323.418 -0.207 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)c3nccn32)C1 1092400093 WXPGMAVMQHIDAD-GRYCIOLGSA-N 313.361 -0.790 30 20 DBED CC(=O)NCC(=O)N[C@H]1[C@@H]2CN(c3cncc(C#N)n3)C[C@@H]21 1093216125 WIYLDEHXYSRSFS-YABSGUDNSA-N 300.322 -0.965 30 20 DBED C#CCN1CC(OC2CCN(C(=O)[C@@H]3CCNC(=O)C3)CC2)C1 1093525584 CQIQHPILUMTHRP-CYBMUJFWSA-N 319.405 -0.162 30 20 DBED N#CCN1CC(OC2CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)C1 1093593521 INDRYZLNZHAVOO-ZDUSSCGKSA-N 306.366 -0.520 30 20 DBED N#Cc1nccnc1NCCNC(=O)CCN1CCOCC1 1093732503 SRMHQSSUBIYLLJ-UHFFFAOYSA-N 304.354 -0.401 30 20 DBED N#Cc1cnc(NCCNC(=O)[C@@H]2CCNC(=O)CC2)cn1 1094024248 WTBPTEAWEKSWCI-JTQLQIEISA-N 302.338 -0.207 30 20 DBED Cc1cc(C#N)nc(NCCNC(=O)[C@@H]2CN(C)C(=O)N2)n1 1094060572 JPIMLCPZCMRTAI-JTQLQIEISA-N 303.326 -0.792 30 20 DBED C#CCCN1CC(n2cc(CNC(=O)[C@H]3CCOC3)nn2)C1 1094279622 OPNNGYKFZVCGQK-LBPRGKRZSA-N 303.366 -0.189 30 20 DBED C=CCN1CC(n2cc(CNC(=O)[C@H]3CCN(C)C3)nn2)C1 1094338206 BOLUILWWZWUEIL-LBPRGKRZSA-N 304.398 -0.111 30 20 DBED CC#CCN1CC(N2C[C@H](NC(=O)c3ccnn3C)CC2=O)C1 1094711584 ISHGIIAJHODCDA-GFCCVEGCSA-N 315.377 -0.542 30 20 DBED Cn1ccc(C(=O)NCCCN=c2cc[nH]c(C#N)n2)cc1=O 1094885324 RWMMLGPUVYMLQF-UHFFFAOYSA-N 312.333 -0.299 30 20 DBED CNC(=O)NCC(=O)N1CCC[C@@H](Nc2ccc(C#N)nn2)C1 1095329862 CZNWORWDQSUQNL-LLVKDONJSA-N 317.353 -0.320 30 20 DBED C[C@@H](CC(N)=O)C(=O)N[C@@H]1CCCN(c2cnc(C#N)cn2)C1 1096218632 KIXRKGFMDQLCOM-WDEREUQCSA-N 316.365 -0.055 30 20 DBED N#Cc1ccc(N[C@@H](CNC(=O)CNC(N)=O)C2CC2)cn1 1096566630 YVDNRXXQSUDLHE-LBPRGKRZSA-N 302.338 -0.072 30 20 DBED Cc1cc(=N[C@@H](C)CNC(=O)CN2CCOCC2)c(C#N)c[nH]1 1097783882 RCLKYAZFTAPHHO-ZDUSSCGKSA-N 317.393 -0.068 30 20 DBED C[C@H](CNC(=O)c1ccc(=O)n(C)n1)N=c1cc[nH]c(C#N)n1 1097850971 ITDQTQJBFAQAMI-SECBINFHSA-N 313.321 -0.906 30 20 DBED C[C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)Nc1cncc(C#N)n1 1098264841 VMBOFQRGEPQQIR-INTQDDNPSA-N 318.337 -0.702 30 20 DBED C=CCn1cc(C(=O)NC[C@@H](C)N=c2cc[nH]c(C#N)n2)nn1 1098310373 GZYBFVJHIVCOQP-SNVBAGLBSA-N 312.337 -0.222 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CCN(CCCC=C)C[C@@H]1O 1099788362 DJVMMJMOPQDVAC-KBPBESRZSA-N 307.394 -0.357 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CCCn2ccnn2)[C@H](O)C1 1099868737 DOQVKCOLVJKVJR-ZIAGYGMSSA-N 305.382 -0.367 30 20 DBED N#CCN1CC[C@H](NC(=O)CNC(=O)c2cccs2)[C@@H](O)C1 1100096253 BUNJSVORACUNQK-QWRGUYRKSA-N 322.390 -0.447 30 20 DBED C#CCN1CC[C@H](NC(=O)CCNC(=O)c2ccco2)[C@@H](O)C1 1100101438 MFDAGIOIRSMMSF-STQMWFEESA-N 319.361 -0.416 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CC(CNC(=O)c2cn(C)cn2)C1 1100243310 DJUWTFZRCUEPDF-PNESKVBLSA-N 317.393 -0.344 30 20 DBED C=C(C)CNC1CC(CNC(=O)CCS(=O)(=O)NC)C1 1100327489 JMEDNSPGYYQSKY-UHFFFAOYSA-N 303.428 -0.014 30 20 DBED CCn1cc(CC(=O)NCCN(C)c2nccnc2C#N)nn1 1100422450 VHAUNDOSQQYYQT-UHFFFAOYSA-N 314.353 -0.245 30 20 DBED C#CCN1CC[C@@H](Oc2ccnc(CNC(=O)CC(N)=O)c2)C1 1101091478 CDJWDAPRODTRQY-CQSZACIVSA-N 316.361 -0.341 30 20 DBED CN(CCNc1cncc(C#N)n1)C(=O)CN1CCCC1=O 1101486430 DTVBSZQEKZZIBL-UHFFFAOYSA-N 302.338 -0.159 30 20 DBED COCC#CCN1C[C@@H](C)[C@H](CNC(=O)[C@@H]2CN(C)CCO2)C1 1101844337 WKHQSFKPUBOZLQ-OAGGEKHMSA-N 323.437 -0.349 30 20 DBED CC[C@@H](CNC(=O)[C@H](C)NC(C)=O)N=c1cc[nH]c(C#N)n1 1102977891 LLKQTROBEKIBMM-ONGXEEELSA-N 304.354 -0.399 30 20 DBED CNC(=O)NCC(=O)NC[C@H](C)CNc1nccnc1C#N 1104246341 PXRMKLCLCLXTAA-VIFPVBQESA-N 305.342 -0.559 30 20 DBED Cc1c(C(=O)N(C)[C@@H](C)CN=c2cc[nH]c(C#N)n2)nnn1C 1104500849 DREIAFKQAPYGMI-VIFPVBQESA-N 314.353 -0.220 30 20 DBED C[C@H]1C[C@H](C(=O)N2CC(n3cc(CNCC#N)nn3)C2)CO1 1105270584 CPKSRJYLZZKOLM-QWRGUYRKSA-N 304.354 -0.300 30 20 DBED CN(CCN(C)c1ccc(C#N)nc1)C(=O)Cn1cnnn1 1105344524 JBSCDEIZVIMOEN-UHFFFAOYSA-N 300.326 -0.465 30 20 DBED CN(CCN(C)c1cncc(C#N)n1)C(=O)[C@@H]1CCNC1=O 1105535041 IHPSFPRVXWAJIW-LLVKDONJSA-N 302.338 -0.621 30 20 DBED CCNC(=O)CN1CC(OC2CCN(C(=O)[C@H](C)C#N)CC2)C1 1105695741 NNAKAJWLFQNBRS-GFCCVEGCSA-N 322.409 -0.026 30 20 DBED Cc1cc(C(=O)NC[C@@H](O)CNc2ccc(C#N)nn2)no1 1105709611 OOKQLFDYPYFLBL-JTQLQIEISA-N 302.294 -0.153 30 20 DBED Cc1cc(C(=O)NC[C@H](O)CNc2cnc(C#N)cn2)n(C)n1 1105733046 GVUPIMISEGZJSF-LLVKDONJSA-N 315.337 -0.407 30 20 DBED N#Cc1sc(NC[C@H](O)CNC(=O)CC(N)=O)nc1Cl 1105763899 RKHCOPUOPOLXPN-RXMQYKEDSA-N 317.758 -0.567 30 20 DBED CC(C)(C)C(=O)C(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1 1105766120 PLQTUFTYBUUGLF-VIFPVBQESA-N 305.338 -0.726 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)C23CCN(CC2)C3)cn1 1105916870 BKWOTAOGXAJYNB-CQSZACIVSA-N 315.377 -0.062 30 20 DBED C=CC(C)(C)C(=O)NC[C@@H](O)CN=c1cc[nH]c(C(=O)OC)n1 1106051756 LXVAYFWQSSAVKP-JTQLQIEISA-N 322.365 -0.214 30 20 DBED CCOCCN1CC(n2cc(CNC(=O)[C@H](C)C#N)nn2)C1 1107149682 NQIKBCVJQIAZLU-LLVKDONJSA-N 306.370 -0.053 30 20 DBED Cn1nccc1CC(=O)NC/C=C/CN=c1cc[nH]c(C#N)n1 1107172373 UZIFZGAMMJJUJM-NSCUHMNNSA-N 311.349 -0.169 30 20 DBED C#CCN1CC(n2cc(CNC(=O)Cn3cncc3C)nn2)C1 1107185470 SIORVLWZPIHBSK-UHFFFAOYSA-N 313.365 -0.411 30 20 DBED C#CCN1CC(n2cc(CNC(=O)Cc3nonc3C)nn2)C1 1107226330 QFNZMNADOMUFOH-UHFFFAOYSA-N 315.337 -0.682 30 20 DBED CC#CCN1CCO[C@](C)(CNC(=O)C[C@@H](C)NC(N)=O)C1 1107942625 UMGTWUGLFBSTNZ-IUODEOHRSA-N 310.398 -0.336 30 20 DBED C=CCN1CCN(C(=O)CCN(C)C)[C@@H]2CS(=O)(=O)C[C@@H]21 1108481562 VLSHUWWIFSKQBB-QWHCGFSZSA-N 315.439 -0.566 30 20 DBED CC#CCN1CC(N2C[C@@H](NC(=O)C[C@@H](C)OC)CC2=O)C1 1108517628 KSFNCRRPSPCSNI-OLZOCXBDSA-N 307.394 -0.164 30 20 DBED CC(=O)N[C@H](C)C(=O)N[C@@H](C)CN(C)c1cncc(C#N)n1 1108818457 NWEPPJUPYXFRHX-VHSXEESVSA-N 304.354 -0.186 30 20 DBED C[C@H](CN(C)c1cncc(C#N)n1)NC(=O)Cc1nc[nH]n1 1109081377 RYXXDJMGFFNNOA-SECBINFHSA-N 300.326 -0.350 30 20 DBED N#Cc1nccnc1NC[C@@H](NC(=O)[C@H]1CCNC1=O)C1CC1 1109945491 HBIJPLFBEOGDAI-CMPLNLGQSA-N 314.349 -0.209 30 20 DBED CNC(=O)NCCC(=O)NCC1(Nc2ccnc(C#N)n2)CC1 1110129346 BVSBARCPTARZGM-UHFFFAOYSA-N 317.353 -0.272 30 20 DBED CN(C)C(=O)CC(=O)NCC1(Nc2nccnc2C#N)CC1 1110362198 YBMBGDIRFHUDJS-UHFFFAOYSA-N 302.338 -0.113 30 20 DBED C[C@@H]1C[C@@H](Nc2ccc(C#N)nn2)CCN1C(=O)CNC(N)=O 1110507762 QTIRMGGXLRRKNE-ZJUUUORDSA-N 317.353 -0.192 30 20 DBED CNC(=O)NCC(=O)N[C@]1(C)CCN(c2ccncc2C#N)C1 1110822432 KTLYSKKHONBKBI-OAHLLOKOSA-N 316.365 -0.033 30 20 DBED N#Cc1ccc(NCCN(CCO)C(=O)Cn2ccnc2)nn1 1111486691 BCWSNXWSDDCSEJ-UHFFFAOYSA-N 315.337 -0.522 30 20 DBED N#Cc1cnc(NC2(CNC(=O)[C@H]3COC(=O)N3)CCC2)cn1 1111803915 WKGWUNTUIMHJSW-SNVBAGLBSA-N 316.321 -0.093 30 20 DBED CCc1nc(C#N)cc(N(C)CCCN(C)C(=O)C(N)=O)n1 1112164858 NHRAIQLIWVABKV-UHFFFAOYSA-N 304.354 -0.319 30 20 DBED COCC#CCNC[C@]12CCC[C@H]1CN(C(=O)CC(N)=O)C2 1112288147 RVYWBTVNLBSGDE-BBRMVZONSA-N 307.394 -0.270 30 20 DBED C#CCCCC(=O)N1CCN([C@@H](C)C(=O)NC(=O)NC)CC1 1112809690 OHINLYPQNXQLMI-LBPRGKRZSA-N 308.382 -0.222 30 20 DBED C[C@H](N=c1cc[nH]c(C#N)n1)[C@@H](C)NC(=O)c1cn(C)nn1 1113002264 UJRQEDPRSGHXCG-DTWKUNHWSA-N 300.326 -0.482 30 20 DBED CC[C@@H]1C[C@@H](C(=O)N2CCN(CC(=O)NCC#N)CC2)CCO1 1113500627 CBINNAUYNRTCSN-UONOGXRCSA-N 322.409 -0.024 30 20 DBED C[C@@H](CNC(=O)c1cnnn1C)N(C)c1cncc(C#N)n1 1113590997 NMRXHXASTINHRF-VIFPVBQESA-N 300.326 -0.269 30 20 DBED Cn1nncc1CN1C[C@H]2C(NC(=O)CSCC#N)[C@@H]2C1 1113891834 YPZGFAGMHOLSHW-GHMZBOCLSA-N 306.395 -0.382 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)C(=O)C(C)(C)C)[C@@H]2C1 1114071589 DQNNGQCQNXYVQL-QJPTWQEYSA-N 319.405 -0.214 30 20 DBED CNC(=O)CC(=O)N[C@H]1CN(c2cncc(C#N)n2)CC1(C)C 1114444113 PEWCWFCAOYPTNC-NSHDSACASA-N 316.365 -0.185 30 20 DBED N#Cc1ccc(N2C[C@H]3C(CNC(=O)Cn4ncnn4)[C@@H]3C2)nc1 1114576667 KBLXDRCGNAVJTP-STQMWFEESA-N 324.348 -0.562 30 20 DBED C=CCOCCN1C[C@H]2[C@H](NC(=O)C3CC(=O)NC(=O)C3)[C@H]2C1 1114965314 IFYFVETWMRSVQL-JYAVWHMHSA-N 321.377 -0.712 30 20 DBED CC#CCN1C[C@@H]2C(NC(=O)CCC(=O)NCCCOC)[C@H]2C1 1115104066 RKGYDWYUMNJFKZ-KBPBESRZSA-N 321.421 -0.011 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)CCCCN(C)C)[C@H]2C1 1115144374 VZEAEJQFGIQSKW-HALDLXJZSA-N 320.437 -0.486 30 20 DBED CNC(=O)CC(=O)NCCOCCN(C)c1cnc(C#N)cn1 1115195960 QOZHRXJRSMNAEX-UHFFFAOYSA-N 320.353 -0.947 30 20 DBED C[C@@H](C(=O)N(C)C[C@@H](C)N=c1cc[nH]c(C#N)n1)n1cncn1 1115677806 FROBNVUIJTVJFU-MNOVXSKESA-N 314.353 -0.118 30 20 DBED C[C@H](CN(C)C(=O)[C@@H]1COCCN1C)Nc1ccc(C#N)nn1 1115682012 FDRWDOVXVCRQOS-YPMHNXCESA-N 318.381 -0.062 30 20 DBED C#CCOCCNC(=O)C(=O)N1CC[C@H](CN2CCCC2)C1 1117397706 XTUMRMZTDQORJB-CQSZACIVSA-N 307.394 -0.303 30 20 DBED CNC[C@@H](C)NC(=O)C(=O)NCc1cccc(OCC#N)c1 1118549042 UYPHUFYSOKVGBS-LLVKDONJSA-N 304.350 -0.071 30 20 DBED C[C@@H](CN(C)C(=O)[C@H]1CNC(=O)N1)Nc1ccc(C#N)cn1 1120633407 HECOCBOTRXGPQN-GXSJLCMTSA-N 302.338 -0.107 30 20 DBED C=CCOCC(=O)NC1CC2(CC(NCC(=O)NC(N)=O)C2)C1 1120819952 DEORXKCQSNAVNG-UHFFFAOYSA-N 324.381 -0.599 30 20 DBED Cc1cc(N[C@@H](CO)CNC(=O)[C@@H](C)C#N)n2ncnc2n1 1121212762 IVTSWOCBHNRSOD-WCBMZHEXSA-N 303.326 -0.519 30 20 DBED CCOCCOCC(=O)NC[C@@H](CO)Nc1ccc(C#N)nc1 1121676771 LHGQZDFAFNNLGK-AWEZNQCLSA-N 322.365 -0.105 30 20 DBED C[C@@H](CC(=O)NC[C@@H](CO)Nc1ccc(C#N)cn1)NC(N)=O 1122068378 CCSGOWHZVGFPBH-ONGXEEELSA-N 320.353 -0.711 30 20 DBED N#Cc1cccnc1N[C@H](CO)CNC(=O)c1cncnc1O 1122170723 OATRVESVCBVRIL-JTQLQIEISA-N 314.305 -0.348 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1cccc2nn[nH]c12 1128062097 VWFUMSYSFSJAOY-JTQLQIEISA-N 314.349 -0.585 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1cnn(C)c1Cl 1130306516 ZMHTWARVNLLTOA-SECBINFHSA-N 311.773 -0.469 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)c2ncc(OC)cn2)C1=O 1131127365 JXUJZZDZTSFKTI-LBPRGKRZSA-N 319.365 -0.409 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)C1(COC)CC1 1131311253 RZPUDXWWZVPGEW-UHFFFAOYSA-N 312.370 -0.869 30 20 DBED C#CCNC(=O)[C@H](C)N1CCNC(=O)CCN(C(=O)CC)CC1 1131318768 PGMCADIINWGWAC-ZDUSSCGKSA-N 322.409 -0.815 30 20 DBED C#CCCN1C[C@@H](NC(=O)CNS(=O)(=O)CC)CC[C@H]1C 1132086570 HQEZBQURTVPLJW-OLZOCXBDSA-N 315.439 -0.082 30 20 DBED C=C[C@H](C)[C@@H](C)C(=O)NCCNCC(=O)N1CCNC(=O)C1 1132569457 RUMREYKNMFAIHI-NWDGAFQWSA-N 310.398 -0.891 30 20 DBED C=C1CC(C)(C(=O)NCCNC[C@@H](O)CN2C(=O)CCC2=O)C1 1133565624 DUUSSHLATQYXAM-GFCCVEGCSA-N 323.393 -0.442 30 20 DBED C[C@@H](C[C@@H](C)NCC(=O)NCC#N)NC(=O)c1cncnc1O 1134727145 ZMKRNYTWGKMYKI-ZJUUUORDSA-N 320.353 -0.692 30 20 DBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCNCc1nc(=O)n(C)[nH]1 1135058115 FXNSMJSGGJVDSO-AAEUAGOBSA-N 323.397 -0.315 30 20 DBED COCC#CCN1CCC2(C1)CN(C(=O)[C@H]1CCC(=O)NC1)C2 1147835484 HWMRVDILURCLBI-AWEZNQCLSA-N 319.405 -0.303 30 20 DBED COCC#CCNCCNC(=O)c1ccc2c(c1)C(=O)NC2=O 1148337716 WXTJKEUYEWJGEZ-UHFFFAOYSA-N 315.329 -0.461 30 20 DBED C#CCCN1CCCO[C@@H](CNC(=O)CCn2cncn2)C1 1149189193 QHHZFVKTXPGIBW-AWEZNQCLSA-N 305.382 -0.101 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)[C@@]2(CC)CCNC2=O)C1 1149875428 QUDYVKJQSXJSFO-BBRMVZONSA-N 307.394 -0.257 30 20 DBED C#CCN(C)C[C@H]1CCCCN1C(=O)C[C@H]1CC(=O)NC1=O 1158971162 OXACJWFDAYWGAG-CHWSQXEVSA-N 305.378 -0.015 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)[C@H](COC)OC 1166192536 PEGLKZYNAZCJFO-RYUDHWBXSA-N 301.387 -0.566 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)NCCCNCc1cn(C)nn1 1167684630 LNWNPZWGBVDZKU-CQSZACIVSA-N 322.413 -0.118 30 20 DBED N#CCN1CCO[C@@H]2CCN(C(=O)CCCCNC(N)=O)C[C@@H]21 1177042484 PUPOVWCDMCZXIY-QWHCGFSZSA-N 323.397 -0.350 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1cc(N(C)C)ccn1 1177347688 IVZMTIAUJNPVJY-UHFFFAOYSA-N 317.393 -0.394 30 20 DBED COCC#CCN[C@H]1CCN(C(=O)[C@H]2CN(C)CCO2)[C@H]1C 1178413888 ADOHVYUAEDGCDR-SOUVJXGZSA-N 309.410 -0.454 30 20 DBED C=CCCCN[C@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)[C@H]1C 1180211944 VDIOQRFXLWOMFX-RYUDHWBXSA-N 320.397 -0.078 30 20 DBED C[C@@H]1CN(C(=O)c2ncc[nH]2)C[C@@]1(C)CNCC(=O)NCC#N 1181388050 ODXDIXJQBPRIDY-IAQYHMDHSA-N 318.381 -0.263 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@@H](NCc2nnnn2C2CC2)C1 1182504688 HSQSINXXFLFYKO-NWDGAFQWSA-N 318.381 -0.263 30 20 DBED C=CCNC(=O)NC(=O)CN1C[C@@H]2CCN(C(=O)C3CC3)[C@@H]2C1 1186651923 SKSHKGIKDLIBOS-QWHCGFSZSA-N 320.393 -0.059 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)[C@@H](C)n2cncn2)C1 1189705053 GGSFSAOTYWGQSW-OLZOCXBDSA-N 320.397 -0.326 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)[C@H](OC)C2CC2)C1 1189909076 AOOAGYFUYSNWCR-DZGCQCFKSA-N 307.394 -0.307 30 20 DBED CN(CC(=O)NCC#N)[C@@H]1CCN(C(=O)CC2(O)CCC2)C1 1190013623 GGSGSPXOCMXLPN-GFCCVEGCSA-N 308.382 -0.536 30 20 DBED CCS(=O)(=O)CCCN1C[C@@H](O)[C@H](NC(=O)[C@H](C)C#N)C1 1191880655 CSWPXLYIQOLDMM-IJLUTSLNSA-N 317.411 -0.868 30 20 DBED C=CCCCN1C[C@@H](O)[C@H](NC(=O)c2ccc3nnnn3c2)C1 1194644735 VEWUXVZIJNJULH-CHWSQXEVSA-N 316.365 -0.135 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)c2nn(C)cc2C)CC1 1195768576 DQSKGAOMHYHGPR-UHFFFAOYSA-N 317.393 -0.374 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCCN([C@@H]2CCN(C)C2=O)CC1 1195806025 JSYMEXBAOCDFAV-UONOGXRCSA-N 307.394 -0.210 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)CCn2cccc2)C1 1197181107 FIXSSMYEKJKZLY-ZIAGYGMSSA-N 320.393 -0.658 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C[C@H](C)C2CC2)C1 1199173035 SSGDIVQXNGBXBY-IACUBPJLSA-N 307.394 -0.667 30 20 DBED C#CCNC(=O)CC(=O)N1CCCO[C@H](CNCC(C)C)C1 1200330030 SFYLWIRYVJZDNM-CQSZACIVSA-N 309.410 -0.011 30 20 DBED C#CCNC[C@@H]1CN(C(=O)c2ccc(=O)n(C)n2)CCCO1 1201999220 SBDMRAGQOCMIRQ-GFCCVEGCSA-N 304.350 -0.766 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)c2c[nH]c(=O)cn2)CC1 1202207504 UMNBSRDIFAZNJD-UHFFFAOYSA-N 319.365 -0.734 30 20 DBED CC(C)C[C@@H](C(N)=O)C(=O)N1CCCO[C@@H](CNCC#N)C1 1202251213 PMZYHEMKGJOGTJ-STQMWFEESA-N 310.398 -0.135 30 20 DBED C=CCCOCC(=O)N1CCC(NCC(=O)NC(N)=O)CC1 1204022501 QSUPINGQVLKBIY-UHFFFAOYSA-N 312.370 -0.645 30 20 DBED C#CCNC(=O)CN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)c1cnon1)C2 1204813962 XYFSHHIYIMXPFM-NQBHXWOUSA-N 317.349 -0.598 30 20 DBED C#CCNCC1CCN(C(=O)[C@H]2CCN(C)S2(=O)=O)CC1 1206556310 OWEXTXOBHJLGFY-CYBMUJFWSA-N 313.423 -0.518 30 20 DBED C#CCNC(=O)[C@H](C)NCC1CCN(C(=O)c2cnon2)CC1 1206653622 IWMJKBSLVZNIOD-NSHDSACASA-N 319.365 -0.351 30 20 DBED C#CCCCC(=O)N1CCC[C@H](NCCN2C(=O)CNC2=O)C1 1207934403 DBRZKJKOMCJWIY-ZDUSSCGKSA-N 320.393 -0.078 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(CC2CC(C)C2)C[C@H]1OC 1212149916 KGWDDWYMGSIUBN-NEXFUWMNSA-N 321.421 -0.013 30 20 DBED C#CCN1C[C@@H](NC(=O)CCNC(=O)C2CCC2)[C@H](OC)C1 1213564930 LQFOYMWDRZBMHI-ZIAGYGMSSA-N 307.394 -0.259 30 20 DBED C#CCN1C[C@@H](NC(=O)C[C@@H](C)N2CCCC2=O)[C@H](OC)C1 1213717023 MCVIVHMKAODBQI-MGPQQGTHSA-N 307.394 -0.164 30 20 DBED C[C@@H]1CN(C(=O)C[C@@H]2COC(=O)C2)C[C@H]1NCC(=O)NCC#N 1214441387 KXSHJLQVHKNDFP-GRYCIOLGSA-N 322.365 -0.984 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)CCc2cnc[nH]2)C[C@H]1C 1214812125 TYNPLHZQSRURKX-TZMCWYRMSA-N 317.393 -0.472 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H](C)CC 1217296982 ZMLHEDLMIGIKFG-MELADBBJSA-N 307.394 -0.307 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H](CC)OC 1217434182 AZVPTHIGWBREOR-MELADBBJSA-N 323.393 -0.928 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CCCn1cncn1 1218912699 XPIMDKLVJAJEQX-LSDHHAIUSA-N 317.393 -0.007 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H](C)OCCOCC 1219049830 XZVMYJXOMZWRDO-SOUVJXGZSA-N 310.394 -0.027 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)c2cc[n+]([O-])cc2)C1 1219134583 LYEOLPPTDROHJY-KGLIPLIRSA-N 307.350 -0.703 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CN(CC(=O)Nc2ccccc2)C[C@@H]1O 1219366322 YMLYTSAIGIDQJQ-YUTCNCBUSA-N 316.361 -0.054 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CN(CC#Cc2ccccc2)C[C@@H]1O 1219507921 CZYSJIXMLYBWOE-CABCVRRESA-N 315.373 -0.665 30 20 DBED C=CC(C)(C)CC(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@@H]1O 1219704632 CLPHHMCIHLUARA-NEPJUHHUSA-N 308.382 -0.610 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(CCOCCOC)C[C@@H]1O 1221139731 LAPGVSCFTPQOEI-KGLIPLIRSA-N 316.398 -0.597 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)[C@H]3CCCN3C)[C@@H]2C1 1221445067 YTAFHPQCDWSKLH-RBSFLKMASA-N 318.421 -0.637 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)Cn2ccnc2)C1 1222098442 MWRYXTNUCMHENA-CYBMUJFWSA-N 305.382 -0.234 30 20 DBED C=CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)[C@@H](C)n1cncn1 1233751793 PRYPAJQBKCRJPA-CHWSQXEVSA-N 320.397 -0.326 30 20 DBED C=CCOC[C@@H](NC(=O)Cc1nc2ncccn2n1)C(=O)OC 1256441161 PDDWNTQFPFFAMK-SNVBAGLBSA-N 319.321 -0.473 30 20 DBED C=CCN(C)C(=O)C(=O)N[C@H]1CCc2nc(COC)nn2C1 1261158319 QEXHSPKFVJKWCA-JTQLQIEISA-N 307.354 -0.500 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1C[C@H](C)C[C@H]1C 1261180433 CXZGDYZIMIPGKO-GHMZBOCLSA-N 302.396 -0.040 30 20 DBED COCC#CCNC[C@H]1CCCN1C(=O)C1CN(C(C)=O)C1 1270201368 IASDSUKSMAQDKI-OAHLLOKOSA-N 307.394 -0.305 30 20 DBED CNC(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2cnn(CC#N)c2)C1 1319444935 XOQAUQVQPPUKPD-SNVBAGLBSA-N 318.337 -0.670 30 20 DBED CN1C[C@@H](NC(=O)C(=O)N(C)Cc2cccc(C#N)c2)CC1=O 1324460728 DWDOMKGYYYTPPE-ZDUSSCGKSA-N 314.345 -0.136 30 20 DBED C=CCN(C(=O)C(=O)Nc1ccc(=O)n(CC(N)=O)c1)C(C)C 1326515079 LSLKWYYLNHXLBD-UHFFFAOYSA-N 320.349 -0.305 30 20 DBED C[C@H](C#N)CN(C)C(=O)C(=O)N1CCN(C(=O)N(C)C)CC1 1328411212 CXMOKYQUFJQCBV-LLVKDONJSA-N 309.370 -0.570 30 20 DBED N#C[C@@]1(F)CCN(C(=O)C(=O)N[C@H]2CC(=O)N(C3CC3)C2)C1 1329040959 KIEVTFIQZXMTPJ-XPTSAGLGSA-N 308.313 -0.670 30 20 DBED C[C@@H]1C[C@H](NC(=O)C(=O)NCCNc2ccc(C#N)cn2)CO1 1329401167 SXQRNGBEQDAUMM-PWSUYJOCSA-N 317.349 -0.225 30 20 DBED C=C(C)Cn1nnnc1N1CCN(Cc2n[nH]c(C)n2)CC1 1332944271 NKADONASYQEYAG-UHFFFAOYSA-N 303.374 -0.002 30 20 DBED C=CC[C@H]1NC(=O)N(CCNS(=O)(=O)c2cccnc2)C1=O 1339080532 WVANGJPUSGQPNW-LLVKDONJSA-N 324.362 -0.144 30 20 DBED C=CCn1c(N(C)CCNC(C)=O)nnc1[C@@]1(C)CNC(=O)C1 1340331738 OXMOORYOOFFQIH-OAHLLOKOSA-N 320.397 -0.186 30 20 DBED CCN(CC(=O)N(C)C)C(=O)C(=O)Nc1ccc(C#N)cn1 1347657029 HCYQGYSRXNTCIY-UHFFFAOYSA-N 303.322 -0.172 30 20 DBED N#CCNC(=O)CNC(=O)Cc1ccn(CC(F)(F)F)n1 1355381550 TZUKWOPGORFHME-UHFFFAOYSA-N 303.244 -0.256 30 20 DBED N#Cc1csc(C(=O)NC[C@@]2(O)CCS(=O)(=O)C2)c1 1363256118 ZTEUDNXSUOENGN-NSHDSACASA-N 300.361 -0.101 30 20 DBED CCN(C)C(=O)[C@@H](Nc1[nH]c(=O)n(C)c(=O)c1C#N)C(C)C 1364192445 KXPVAFHKUVJLOU-JTQLQIEISA-N 307.354 -0.140 30 20 DBED COC(=O)CC1(CS(=O)(=O)N2CCOC[C@H]2C#N)CC1 1365653953 JJZKUJIDWOFCOK-SNVBAGLBSA-N 302.352 -0.116 30 20 DBED Cn1ncc(C(=O)NC[C@@H](O)CNCc2ccccc2C#N)n1 1379255952 SDLRAVOKXOJYHH-ZDUSSCGKSA-N 314.349 -0.433 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](C)NC(=O)[C@@H]1Cc2cncn2C(=O)N1 1389249296 XESSEWVFBSIBBJ-NGZCFLSTSA-N 318.337 -0.854 30 20 DBED CCN(CCNC(=O)CCn1ncn(C)c1=O)C(=O)[C@@H](C)C#N 1398115744 DPCYEFHJMHJIPO-NSHDSACASA-N 322.369 -0.904 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1cc(C(F)F)[nH]n1 1410166293 NXDUUBOMEUGDFE-BQBZGAKWSA-N 315.280 -0.286 30 20 DBED CC[C@@H](NC[C@H](O)CN(C)C(=O)c1cc(C#N)c[nH]1)C(N)=O 1410990914 RUZSIVMGRLQYEM-WDEREUQCSA-N 307.354 -0.827 30 20 DBED Cc1nc(CNC(=O)Cn2cc(C#N)c(O)nc2=O)[nH]c1C 1412643145 UGFYNTKIUNUQOD-UHFFFAOYSA-N 302.294 -0.523 30 20 DBED CC[C@@H](CNC(=O)COCc1nncn1C)NC(=O)[C@H](C)C#N 1416294250 MSWVAXSLZOZBGP-MNOVXSKESA-N 322.369 -0.498 30 20 DBED C[C@@H]1O[C@H](C)C[C@H]1CNC(=O)Cn1cc(C#N)c(O)nc1=O 1418091572 VFKCCFWNCHOGEX-UTLUCORTSA-N 306.322 -0.250 30 20 DBED COc1cc(C(=O)NCCn2cc(C#N)c(O)nc2=O)sn1 1418536526 MVFSAAMOHWFTDX-UHFFFAOYSA-N 321.318 -0.284 30 20 DBED C[C@@H](C#N)C(=O)NCC1CN(CC(=O)Nc2nncs2)C1 1419011040 QULBUDHTZKPIBV-QMMMGPOBSA-N 308.367 -0.316 30 20 DBED Cc1nc(CC(=O)N(CCNC(=O)[C@@H](C)C#N)C2CC2)n[nH]1 1431907110 AFTVXNBQXWVCMX-VIFPVBQESA-N 304.354 -0.078 30 20 DBED CCCS(=O)(=O)CC(=O)NC[C@@H](C)CNC(=O)[C@@H](C)C#N 1451595109 YTFARVWALLVRJG-MNOVXSKESA-N 317.411 -0.161 30 20 DBED CC(=O)N(C)CC(=O)N1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 1453983509 AUUBJBBCMIDGKJ-LBPRGKRZSA-N 317.349 -0.305 30 20 DBED C[C@H](C#N)C(=O)N(C)CCN(C)C(=O)[C@@H]1CCc2nncn2C1 1457800897 YBPTWWFWUZXDFA-VXGBXAGGSA-N 318.381 -0.083 30 20 DBED CC[C@@H](C(=O)N1C[C@@H](NCC(=O)NCC#N)C(C)(C)C1)N(C)C 1486243018 POMAGWHYZFDDBA-QWHCGFSZSA-N 323.441 -0.207 30 20 DBED C[C@@H](CNC(=O)CNC(=O)c1ccccn1)NC(=O)[C@@H](C)C#N 1494749727 CDZPTLDXZFYOBG-QWRGUYRKSA-N 317.349 -0.408 30 20 DBED CCN(CCNC(=O)c1cc(C#N)c[nH]1)C(=O)Cn1cnnn1 1496700224 VLVCNYJNUSDUJO-UHFFFAOYSA-N 316.325 -0.849 30 20 DBED C#CCN(CC(=O)O)c1nnc([C@@]2(O)CCOC2)n1CC(=C)C 1588426948 HWHUSDSZFVRDEH-OAHLLOKOSA-N 320.349 -0.014 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)[C@@H](C)CN=c1cc[nH]c(C(=O)O)n1 1588489741 BYIUTWSSYNDKOD-QWRGUYRKSA-N 320.349 -0.106 30 20 DBED C=C(C)C[C@@H](NC(=O)CN(C)[C@@H]1CCS(=O)(=O)C1)C(=O)O 1588542305 FUJFUILRXSQRKJ-GHMZBOCLSA-N 318.395 -0.359 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CC[C@@H](C(=O)O)[C@H]2C)nn1 1588909481 WAOGRLFUAAOXAW-MWLCHTKSSA-N 321.337 -0.598 30 20 DBED CC1(NC(=O)[C@H]2C[C@H]2C(=O)O)CCN(CC(=O)NCC#N)CC1 1594051188 AVUSGLRHERMNLS-WDEREUQCSA-N 322.365 -0.682 30 20 DBED C=C[C@@H]1OCC[C@H]1NC(=O)N1CCO[C@@](COC)(C(=O)O)C1 1602730978 PBGKDNKHLDNACD-SUNKGSAMSA-N 314.338 -0.159 30 20 DBED CC(C)NC(=O)CN(C)CC(=O)N1CCC(C#N)(C(=O)O)CC1 1603898977 TVUAFVQSMSPUPN-UHFFFAOYSA-N 324.381 -0.340 30 20 DBED Cc1[nH]c2ccnn2c(=O)c1CC(=O)N1CC(O)(CC#N)C1 1645709559 HAUXAACXDJMPET-UHFFFAOYSA-N 301.306 -0.640 30 20 DBED C[C@H](C#N)OCCN(C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 1649794301 WGYKVMROYZIRDG-GHMZBOCLSA-N 303.384 -0.850 30 20 DBED CS(=O)(=O)N1CC(CNC(=O)NCc2ccc(C#N)cn2)C1 1649803918 DCJDMQULJNYUFM-UHFFFAOYSA-N 323.378 -0.356 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCN(CCNC(=O)C2CC2)C1 1713822230 HVRYXIYEUKXSHF-CQSZACIVSA-N 307.394 -0.257 30 20 DBED CO[C@H]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NCC(=O)NCC#N)C1 1752640387 YQLNYMGSGPFITE-LPWJVIDDSA-N 308.382 -0.322 30 20 DBED CC(C)C[C@H](C(N)=O)C(=O)N[C@H]1C[C@H](NCC(=O)NCC#N)C1 1752690787 GCMKBARPDSAGQL-IJLUTSLNSA-N 323.397 -0.989 30 20 DBED COCC#CCNC[C@@H]1CCN(C(=O)c2cnn(C)c2N)C1 1752934702 NAPQTBUAHSQAKO-LBPRGKRZSA-N 305.382 -0.296 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCN(C)CC(=O)NCC(C)C 1753051857 QWYWSVISSJXFCP-HNNXBMFYSA-N 322.453 -0.096 30 20 DBED COCC#CCN1CC[C@H](CNC(=O)c2cc(C(N)=O)c[nH]2)C1 1753136706 ZTABPEUXJMFCIB-GFCCVEGCSA-N 318.377 -0.185 30 20 DBED C#CCNC(=O)[C@H](C)N(C)CCN(C)C(=O)CNC(=O)CC 1753850437 XNAIKHABUHHVRV-LBPRGKRZSA-N 310.398 -0.959 30 20 DBED CN(C(=O)CCc1cnn(C)c1)C1CN(CC(=O)NCC#N)C1 1754587231 HFZYMHYFXIVIOO-UHFFFAOYSA-N 318.381 -0.865 30 20 DBED COCC#CCNC[C@@H]1CCCN1C(=O)C1CC(=O)NC(=O)C1 1754618814 OWUZDIXQZAHJHT-ZDUSSCGKSA-N 321.377 -0.730 30 20 DBED C=CC(C)(C)C(=O)NC[C@@]1(O)CCN(Cc2nnn(C)n2)C1 1754755895 ZPGHRMHYOIXHSP-AWEZNQCLSA-N 308.386 -0.525 30 20 DBED C#CCN1CC(O)(CNC(=O)c2nnc3ccccc3c2O)C1 1754775313 ODSVQKCWFVHCGF-UHFFFAOYSA-N 312.329 -0.255 30 20 DBED C#CCN[C@H](CCN(C)C(=O)[C@@H]1CCS(=O)(=O)N1)C(C)C 1755343052 PORUROWQHMNWMX-OLZOCXBDSA-N 315.439 -0.226 30 20 DBED CC#CCNC[C@H](CCCC)NC(=O)Cn1c(O)nnc1O 1755361479 UKRDGQYIQSVQFG-NSHDSACASA-N 309.370 -0.023 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@@H](C)N(C(=O)c2cc(C#N)c[nH]2)C1 1755675178 OWXURQLTSOPDQG-YPMHNXCESA-N 313.361 -0.172 30 20 DBED C=CCO[C@H](C)C(=O)N(C)[C@H](C)CNC(=O)Cn1ncnn1 1756029358 JPAROOUJMNIWLH-GHMZBOCLSA-N 310.358 -0.773 30 20 DBED C=C1CC(C)(C(=O)N[C@@H](CO)CNC(=O)[C@@H]2CCNC(=O)C2)C1 1756513153 BLCKDLFYEIWJFV-VXGBXAGGSA-N 323.393 -0.538 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H](CO)NC(=O)Cc1cc(C)on1 1756521907 YXVKLKBQYTZBPJ-AAEUAGOBSA-N 323.349 -0.843 30 20 DBED C[C@H]1[C@@H](NC(=O)CC(N)=O)CCCN1C(=O)c1cc(C#N)c[nH]1 1756624091 URHFYCQNENDQPJ-ONGXEEELSA-N 317.349 -0.129 30 20 DBED C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)NC=O)C1 1780726739 DJODPXORYUZAJL-XJKCOSOUSA-N 321.377 -0.732 30 20 DBED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=COCC3)C[C@@H]21 1790794834 STFDSHMHAVWORL-UBHSHLNASA-N 304.346 -0.097 30 20 DBED C#CCCC(=O)N1CC2(CCCN2C(=O)CN2CCOCC2)C1 1842826931 RQUFOVHJOKHRNW-UHFFFAOYSA-N 319.405 -0.065 30 20 DBED C=CCNC(=O)[C@H](C)OC(=O)CN1C(=O)N[C@](C)(CC)C1=O 24078867 BTKLZYQMAFWMNS-LKFCYVNXSA-N 311.338 -0.059 30 20 DBED COCCNC(=O)CNS(=O)(=O)c1ccc(CC#N)cc1 134835263 DJIBLFWGMWZYBR-UHFFFAOYSA-N 311.363 -0.206 30 20 DBED C=CCCOCC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 150155001 OTXTUITYMRRVOB-UHFFFAOYSA-N 323.393 -0.128 30 20 DBED N#Cc1cc(F)c(N2CCN3C(=O)C(=O)NC[C@@H]3C2)c(F)c1 151948382 XWORQDYNJBORNR-SECBINFHSA-N 306.272 -0.017 30 20 DBED C#CCNC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1 268102449 XGYVHNIVHMIPPS-LBPRGKRZSA-N 303.318 -0.094 30 20 DBED C/N=C(/NCCN1CCOCC1)NCc1ccc(C(N)=O)o1 268319495 KIHOWMXWUGPBNQ-UHFFFAOYSA-N 309.370 -0.624 30 20 DBED CN(CCc1cnccn1)c1c(C#N)c(=O)n(C)c(=O)n1C 271282847 CSNRZDWENZCVAY-UHFFFAOYSA-N 300.322 -0.575 30 20 DBED COC(=O)[C@@H](NS(=O)(=O)c1ccc(F)c(C#N)c1)[C@@H](C)O 274317447 CEZDJBGSKVVPAC-HQJQHLMTSA-N 316.310 -0.102 30 20 DBED C=CCN(C)C(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2 284424789 RMUOCJHXFIOFAY-UHFFFAOYSA-N 321.381 -0.468 30 20 DBED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N1CCn2cnnc2C1 292353326 QFIOOEPBKUWUBZ-WCQYABFASA-N 319.365 -0.282 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 295756256 HMCCMNFGVGZSOY-ZIAGYGMSSA-N 323.393 -0.926 30 20 DBED C[C@H]1CN(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)CC(=O)N1 296162646 LIERXIIGSNHPID-QMMMGPOBSA-N 304.281 -0.017 30 20 DBED CN1CCN(CC/N=C(/O)Cn2ccc(O)nc2=O)CC1(C)C 328727200 UYCVVICMYGJPIU-UHFFFAOYSA-N 323.397 -0.069 30 20 DBED CN1C[C@@H](/C(O)=N/C[C@H]2CCCN2S(C)(=O)=O)CC1=O 328820084 QQWOHQIFRBCKLQ-VHSXEESVSA-N 303.384 -0.155 30 20 DBED CCN1CCOC[C@@H]1/C(O)=N/C[C@@H]1CCN(S(C)(=O)=O)C1 329370590 JUXPYCKYEYVBGE-NWDGAFQWSA-N 319.427 -0.055 30 20 DBED CS(=O)(=O)N1CCN(C/C(O)=N/CC2=CCCOC2)CC1 330217187 NRJYJTORYKATCK-UHFFFAOYSA-N 317.411 -0.133 30 20 DBED C[C@H](CS(C)(=O)=O)/N=C(/O)N1CCO[C@@H](CN(C)C)C1 330830876 JBKXTGAEPOJPSU-MNOVXSKESA-N 307.416 -0.404 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@@H]1CCCN(C)C1=O 337076847 SMUXJSAWNQZLGX-WDEREUQCSA-N 302.400 -0.077 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CCS(=O)(=O)[C@H](C)[C@@H]1C 337085459 DJHXETBDZDOVHG-WDEREUQCSA-N 323.440 -0.026 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@H](C)c1ncn(C)n1 337190794 SBEMAUVMWFCCGH-SNVBAGLBSA-N 316.387 -0.427 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)NCc1ccc(C(N)=O)nc1 337903601 SIPHDFNYBAZHAE-VIFPVBQESA-N 311.367 -0.251 30 20 DBED Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)NCC#CCO 339194129 CFTDEQUBCVTART-UHFFFAOYSA-N 300.336 -0.436 30 20 DBED CN(CC(=O)N1CC[C@@H](O)C1)S(=O)(=O)c1ccc(C#N)cc1 339723999 PXCNOSMVLWSTMJ-GFCCVEGCSA-N 323.374 -0.228 30 20 DBED N#Cc1ccc2c(c1)N(C(=O)C(=O)NC[C@@H]1COCCO1)CC2 339780849 JUYSWBSQUJDTGQ-CYBMUJFWSA-N 315.329 -0.021 30 20 DBED C=CCOC[C@@H](NS(=O)(=O)c1cn(C)nc1C)C(=O)OC 344805356 BGXPNQLYWADWPV-SNVBAGLBSA-N 317.367 -0.249 30 20 DBED C=CCOC[C@@H]1NC(=O)N(CCS(=O)(=O)N(C)C)C1=O 348976590 QDOFEGLRMHYCJE-VIFPVBQESA-N 305.356 -0.999 30 20 DBED CN(C1CC1)S(=O)(=O)CCCS(=O)(=O)NC1(C#N)CC1 349515345 HAYUFOWUUOJSON-UHFFFAOYSA-N 321.424 -0.224 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)NC[C@H]1CN2CCC[C@@H]2CO1 374418506 XPIIHXXOOQOLCH-UPJWGTAASA-N 316.427 -0.225 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N1CCN(CCOC)CC1 410909886 MKFQLUIHBDNEQM-UHFFFAOYSA-N 313.398 -0.562 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@H](C)[C@H](CN)C2)C1=O 424012563 JTCDWYOZPVLPIG-WDEREUQCSA-N 322.365 -0.594 30 20 DBED C=CCCn1cc(C(=O)N2CCN(CC(=O)NC)CC2)nn1 424720070 ZTPHBPPRXUBUCK-UHFFFAOYSA-N 306.370 -0.642 30 20 DBED C=CCn1cc(CNC(=O)CN2C(=O)N[C@@](C)(CC)C2=O)nn1 425602287 AUCPUKJOMKSLHL-AWEZNQCLSA-N 320.353 -0.199 30 20 DBED C=CCn1cc(CNC(=O)CN2C(=O)N[C@](C)(CC)C2=O)nn1 425602288 AUCPUKJOMKSLHL-CQSZACIVSA-N 320.353 -0.199 30 20 DBED C#CCN1CCN(C(=O)CN2C[C@H](N(C)C)[C@H](SC)C2)CC1 491181655 VFUNVHDKVLLKRD-LSDHHAIUSA-N 324.494 -0.259 30 20 DBED C#CCNC(=O)CN1CCCN(c2cc(COC)ncn2)CC1 491723168 AMGZHXKNLNIVOM-UHFFFAOYSA-N 317.393 -0.116 30 20 DBED C#CCNC(=O)CCNCC(=O)N(C)CCc1ccccn1 491761859 XOLSRIUNOGOUIV-UHFFFAOYSA-N 302.378 -0.188 30 20 DBED C[C@H](CNC[C@H](O)CN(C)CCC#N)CN1CCN(C)CC1 520798435 VXKBYIFZYKUGAL-CVEARBPZSA-N 311.474 -0.334 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)NCCN1CCC(O)CC1 568262229 HXWYPNRKGLSSHZ-NSHDSACASA-N 304.416 -0.631 30 20 DBED N#CCc1ccc(OC[C@H](O)CN2CCO[C@@H](C(N)=O)C2)cc1 604522353 TYIVQHHIFFRUDS-UKRRQHHQSA-N 319.361 -0.322 30 20 DBED C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N1CC[C@@](F)(C#N)C1 615645350 NPYLPUIMAWJLAO-CKYFFXLPSA-N 303.359 -0.384 30 20 DBED CNC(=O)[C@H](C#N)C(=O)[C@@H](C)N1C(=O)NC2(CCCC2)C1=O 726731899 PJFKJKTTWSJMLJ-RKDXNWHRSA-N 306.322 -0.306 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)C1(C(=O)NC)CCC1 730045785 MRIDRYAVMHKUNC-SECBINFHSA-N 311.338 -0.154 30 20 DBED NC(=O)CNC(=S)NN=C1CCN(CC(F)(F)F)CC1 731928777 UVGVLYIZVICPBN-UHFFFAOYSA-N 311.333 -0.050 30 20 DBED C#C[C@@H](NC(=O)N(C)CC(=O)N1CCOCC1)[C@@H]1CCCO1 776226896 HRSMNSWQTRDLEC-OLZOCXBDSA-N 309.366 -0.333 30 20 DBED C#CCOCCNC(=O)N[C@@H]1CCOC[C@@H]1OCCOC 776908700 MQHQAAIBHZXIQB-OLZOCXBDSA-N 300.355 -0.244 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N1C[C@H](C)O[C@@H](CO)C1 786807297 BEQKXWCSWRQOJC-WDEREUQCSA-N 306.384 -0.622 30 20 DBED COCCNC(=O)[C@@H](C#N)C(=O)[C@H]1CCc2cnn(C)c2C1 798816023 HATLVOHUBYUPQI-JQWIXIFHSA-N 304.350 -0.004 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCO[C@@H](COC)C1)[C@@H]1CCCO1 809307738 HEPBSTDDTDBVON-AGIUHOORSA-N 310.350 -0.843 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)CCc2ccon2)CC1 826549720 MDAQDWRCCBFGPY-UHFFFAOYSA-N 318.377 -0.109 30 20 DBED COCCN(CCC#N)S(=O)(=O)NCC[C@H](C)C(=O)O 844787658 XMCPJJQYRFMEFY-JTQLQIEISA-N 307.372 -0.206 30 20 DBED N#C[C@]1(NC(=O)CCN2C(=O)CCNC2=S)CCSC1 847415080 RLDGEMWEHKKCFC-GFCCVEGCSA-N 312.420 -0.001 30 20 DBED C#CCN1CCC(C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2OC)CC1 855477136 VQHAQVBKOKYIQB-OLZOCXBDSA-N 314.407 -0.740 30 20 DBED C[C@H](N)CN(C)C(=O)C(=O)NCCNc1ncccc1C#N 861757276 QDRLZSPBOVVZON-JTQLQIEISA-N 304.354 -0.713 30 20 DBED N#C[C@H]1CN(C(=O)NC[C@@H]2CCCNC2=O)CCN1C1CC1 868697150 DOEKURPLAADFBH-AAEUAGOBSA-N 305.382 -0.106 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)NCCCn1cccn1 875038615 JNBDTGIFYDWNIY-ZDUSSCGKSA-N 306.366 -0.066 30 20 DBED C=CCNC(=O)[C@H](C)OC(=O)CN1CCCCS1(=O)=O 884690528 CTPCMCDFUYUPSA-JTQLQIEISA-N 304.368 -0.354 30 20 DBED C=CCN1CCN(CN2CC[C@@H](CS(N)(=O)=O)C2)C1=O 902526378 DSEXUKFRLDJRQG-LLVKDONJSA-N 302.400 -0.522 30 20 DBED C#CC[C@@H](CO)NS(=O)(=O)c1n[nH]c(C)c1C(=O)OCC 912555341 DGRUHYZLLIOVIA-VIFPVBQESA-N 315.351 -0.443 30 20 DBED C=C(C)CN(CC)C(=O)COC(=O)Cn1ccc(=O)n(C)c1=O 915236722 DNFKXYSAQDVDSN-UHFFFAOYSA-N 323.349 -0.485 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](NC(=O)c2cc(C(N)=O)c[nH]2)C1 942284624 GNMOBHUIISQRSS-PSASIEDQSA-N 303.322 -0.396 30 20 DBED C[C@H](NC(=O)c1c[nH]c(C#N)c1)[C@H]1CCCN(C(=O)C(N)=O)C1 945671926 WVPAXXWNGQVAQG-UWVGGRQHSA-N 317.349 -0.271 30 20 DBED N#CCN1CCOC2(CCN(C(=O)[C@@H]3CC[C@@H]3C(N)=O)CC2)C1 949430249 PBLRYVBENXMKKR-QWHCGFSZSA-N 320.393 -0.285 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2cnn[nH]2)C1 954731080 NCJVMVBUTVQZLN-ZDUSSCGKSA-N 316.365 -0.815 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@H]2CCNC2=O)C1 955366919 DZEIHBYNCXEPSI-UPJWGTAASA-N 321.377 -0.617 30 20 DBED CC#CCN1C[C@H](CNC(=O)c2ncc(OC)cn2)[C@@H](O)C1 958244625 VHVGYQBOPQBQLG-AAEUAGOBSA-N 304.350 -0.469 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C2CCOCC2)C1 958406936 NWLJCRWLQQUIJJ-DRZSPHRISA-N 309.366 -0.397 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2cnc(C3CC3)nc2O)C1 958467824 NKEYMMXLFJLVPI-YPMHNXCESA-N 316.361 -0.285 30 20 DBED C#CCCN1C[C@@H](O)[C@@H](CNC(=O)c2cc(C(N)=O)ccn2)C1 958769458 IXYKSVDASNWYOJ-GXTWGEPZSA-N 316.361 -0.774 30 20 DBED C[C@H](NC(=O)c1ccc(C#N)[nH]1)[C@H]1CCN(C(=O)C(N)=O)C1 959259238 ZXHODQBMEKJYNE-IUCAKERBSA-N 303.322 -0.662 30 20 DBED O=C(C#CC1CC1)N1C[C@H]2CN(C(=O)[C@@H]3COCCO3)C[C@H]2C1 961063420 HWAQSSKRQHYXFP-ZNMIVQPWSA-N 318.373 -0.268 30 20 DBED N#Cc1c[nH]c(C(=O)NC2CC(CN[C@@H]3CCNC3=O)C2)c1 961683890 BXWCZJOHDBIRKC-QEWOUOOISA-N 301.350 -0.127 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@H](NC(=O)c2nnn(C)c2C)C1 962032312 NPMKZSDDFGFEKU-MNOVXSKESA-N 321.381 -0.363 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CN(C(=O)C3CC3)C[C@@H]2O)nn1 963310313 OBYVAZXCTJJESU-PWSUYJOCSA-N 305.338 -0.824 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)c1cccnn1 964328940 KOAIDIHINCDQCR-WDEREUQCSA-N 303.322 -0.407 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2COC3(C2)CN(C(=O)CC(N)=O)C3)C1 965807747 NEXHHOCFDPYWDC-NSHDSACASA-N 321.377 -0.296 30 20 DBED C#CCN(C)[C@@H]1CCN(C(=O)c2ccc(=O)n(CCOC)n2)C1 971899707 VUEIDPPVJWWWFQ-CYBMUJFWSA-N 318.377 -0.331 30 20 DBED CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@H](N(C)CC#N)C2)O1 972322627 BGTTZTYARFDHOG-RWMBFGLXSA-N 308.382 -0.322 30 20 DBED CC#CCN1CCO[C@@]2(CCN(C(=O)C(C)(C)C(N)=O)C2)C1 972419197 BYMWZFVESHABRE-INIZCTEOSA-N 307.394 -0.176 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)c3cnnn3C)C2)cn1 973227180 LRQKEYYUORGLSM-JOCQHMNTSA-N 324.344 -0.118 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)C[C@H]3CCC(=O)NC3)[C@H]2C1 976630263 WYKPUTJPVUSPJQ-VINAVUOLSA-N 318.377 -0.365 30 20 DBED C[C@H]1[C@@H](NCC(=O)N2CCOCC2)CCN1C(=O)C#CC1CC1 986278094 KIEIOPZTFCXSHF-ZFWWWQNUSA-N 319.405 -0.162 30 20 DBED N#Cc1cc(C(=O)NC2CN(C(=O)[C@@H]3COCCO3)C2)c[nH]1 990919109 CASMQYFDYAODFD-LBPRGKRZSA-N 304.306 -0.758 30 20 DBED O=C(N[C@@H]1CCN(C(=O)C#CC2CC2)C[C@H]1O)c1cc[nH]n1 991310084 PYAHNOHUODWVCE-DGCLKSJQSA-N 302.334 -0.485 30 20 DBED C#CCN1CC[C@]2(NC(=O)CN3CCNC(=O)C3)CCC[C@@H]12 992085323 NPMPMXOUGFUEJQ-CZUORRHYSA-N 304.394 -0.835 30 20 DBED C[C@H]1[C@@H](NC(=O)CN2CCCS2(=O)=O)CCCN1CC#N 993411443 HWIAKVRJFVUBHP-RYUDHWBXSA-N 314.411 -0.485 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)Cc2cncn2C)C1 996458768 ZLUPCKIDWYNHOF-KGLIPLIRSA-N 318.377 -0.119 30 20 DBED C=CCN1CCC[C@@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)C1 1008745515 FERPPAOJJVGNFC-SNVBAGLBSA-N 308.338 -0.826 30 20 DBED C#Cc1ccc(C(=O)N2CCN(C(=O)CC(N)=O)CC2)cn1 1010788865 TXJZQDYROJZEMN-UHFFFAOYSA-N 300.318 -0.777 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C(=O)C(C)(C)N2CCOCC2)CC1 1011551908 BGULNSNMRZEONQ-ZDUSSCGKSA-N 322.409 -0.072 30 20 DBED CCn1ncc(C(=O)NC2[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]23)n1 1013056921 YUNCARFBQFVCNJ-VXGBXAGGSA-N 313.361 -0.102 30 20 DBED C#Cc1cncc(C(=O)N2C[C@@H](NC(=O)C(N)=O)C[C@H]2C)c1 1014047392 XSFQFDZNVWRSLO-SKDRFNHKSA-N 300.318 -0.733 30 20 DBED O=C1NC[C@@H](C(=O)N2CCC3(CN(C(=O)C#CC4CC4)C3)C2)N1 1019010343 NPMABDOAWCWPOR-LBPRGKRZSA-N 316.361 -0.858 30 20 DBED C#CCN1CCC(C(=O)N2CC[C@H](N[C@H](CC)C(N)=O)C2)CC1 1019815975 PJLBTAQOWCDTOY-LSDHHAIUSA-N 320.437 -0.214 30 20 DBED C=C(C)CN[C@@H]1CC[C@H]2CN(C(=O)CN3CCNC(=O)C3)C[C@H]21 1026330569 JNXQYEVMSSIMQL-RRFJBIMHSA-N 320.437 -0.179 30 20 DBED N#CCN1CCC[C@@H]1CNC(=O)[C@H]1CCc2nnnn2CC1 1028149546 GBFYDUYNSFCJFH-NWDGAFQWSA-N 303.370 -0.270 30 20 DBED N#Cc1cc(C(=O)NC[C@H]2CCN([C@H]3CCNC3=O)C2)c[nH]1 1028489110 SFLIIWZDFJXSQX-MFKMUULPSA-N 301.350 -0.173 30 20 DBED C=C(C)CN1[C@H]2CC[C@H]1CN(C(=O)CN1CC(=O)NC1=O)C2 1029516863 IWFJWOHJGICJGT-RYUDHWBXSA-N 306.366 -0.211 30 20 DBED CN(C(=O)[C@@H]1CN2CC3CC2(CO1)C3)[C@@H]1CCN(CC#N)C1 1033278144 MJCDMCKHNDUNOZ-IQXANGCESA-N 304.394 -0.094 30 20 DBED CN(C(=O)Cn1nc2n(c1=O)CCCC2)[C@H]1CCN(CC#N)C1 1033566091 JNBMJKJTGLVOFA-LBPRGKRZSA-N 318.381 -0.563 30 20 DBED C=CCN1CCO[C@H](CNC(=O)[C@@H]2CCCS2(=O)=O)C1 1035612374 YMVUYJYXJYELGP-NEPJUHHUSA-N 302.396 -0.433 30 20 DBED CC[C@@H]1CN(C(=O)c2nccnc2C(N)=O)CC[C@H]1NCC#N 1037986046 NZHUNSJFQJNJMG-GHMZBOCLSA-N 316.365 -0.071 30 20 DBED CC#CCN1[C@H]2CCC[C@H]1CN(C(=O)C[C@@H]1NC(=O)NC1=O)C2 1039646963 HPWWWZBLKXOOOY-AVGNSLFASA-N 318.377 -0.327 30 20 DBED C[C@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)C(=O)C(C)(C)C)C1 1040763410 OLVQVAHYUQEMMA-BMIGLBTASA-N 309.366 -0.159 30 20 DBED C=CCCOCC(=O)N1CC[C@](O)(CNC(=O)[C@@H](C)C#N)C1 1040769320 KZGCFSXKWVTVFC-WFASDCNBSA-N 309.366 -0.182 30 20 DBED N#Cc1nccc(N2C[C@@H]3CCN(C(=O)c4cnn[nH]4)[C@@H]3C2)n1 1040883623 AKTCLZJJVMSCRZ-GXSJLCMTSA-N 310.321 -0.183 30 20 DBED C#CCCCC(=O)N1CC[C@](O)(CNC(=O)Cn2cncn2)C1 1040963062 RVNNORYGTNPJJK-HNNXBMFYSA-N 319.365 -0.839 30 20 DBED Cc1nc(C(=O)N[C@@H]2CN(c3cncc(C#N)n3)C[C@H]2O)co1 1040990738 WNDWWNATXBWZGV-ZYHUDNBSSA-N 314.305 -0.376 30 20 DBED C#CCOCCC(=O)N1CC[C@@](O)(CNC(=O)[C@H]2CC23CC3)C1 1041024668 UAEAILCPBBZXMT-CXAGYDPISA-N 320.389 -0.094 30 20 DBED C=CCCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)[C@@H](C)OC)C1 1041754936 WWVJZCPOUQGWGD-NEPJUHHUSA-N 314.382 -0.308 30 20 DBED O=C(NCC1(O)CN(C(=O)C#CC2CC2)C1)[C@H]1CCCOC1 1041993417 DWYSVTRXRDJPJC-ZDUSSCGKSA-N 306.362 -0.484 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)Cc2cccnc2)C1 1042039546 BLQMXUVLJLDQNO-UHFFFAOYSA-N 319.361 -0.484 30 20 DBED CN(C(=O)c1c[nH]c(C#N)c1)C1CN(Cc2nnnn2C)C1 1042637594 NOMFQWGVYGWTPW-UHFFFAOYSA-N 300.326 -0.634 30 20 DBED CC(C)(O)CC(=O)NCC1(O)CN(C(=O)c2ccc(C#N)[nH]2)C1 1042827835 DUBZNCSQLYDHIV-UHFFFAOYSA-N 320.349 -0.650 30 20 DBED C#CCN1CCC(C(=O)NCC2(O)CN(C(=O)CCC)C2)CC1 1043426915 OUXSYUZOKGUFHO-UHFFFAOYSA-N 321.421 -0.179 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)c2[nH]cnc2C)C1 1043823816 YILJEEMPBCPOGU-LLVKDONJSA-N 320.349 -0.940 30 20 DBED Cc1n[nH]cc1C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@@H]1O 1044358472 PJICOBJAWJVLDI-NEPJUHHUSA-N 313.321 -0.641 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)c2ccnnc2)C1 1044475371 RDJGKRDSOHVCNU-UHFFFAOYSA-N 304.350 -0.008 30 20 DBED C[C@@H]1C[C@@H]1CC(=O)NCC1(O)CN(C(=O)CSCC#N)C1 1045743599 DOPRCXHOGPFGCI-GHMZBOCLSA-N 311.407 -0.021 30 20 DBED CCN(C)CCC(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1046524715 BDUZKVFRANAVKB-UHFFFAOYSA-N 307.394 -0.569 30 20 DBED N#Cc1cccnc1N[C@H]1C[C@@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 1046562259 MACFNUBFZUUJAL-WCQGTBRESA-N 314.349 -0.059 30 20 DBED CN(C(=O)Cc1cn2c(n1)CCCC2)[C@H]1CN(CC#N)C[C@@H]1O 1047388691 HVHBHXYJVVSUII-KBPBESRZSA-N 317.393 -0.211 30 20 DBED CC#CCN1C[C@H]2CN(C(=O)[C@@H]3CCS(=O)(=O)C3)C[C@H]2C1 1048924180 UUJYDPFFPGXNIC-MCIONIFRSA-N 310.419 -0.165 30 20 DBED Cc1n[nH]c(C)c1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)C#N)C1 1049395111 QUYICUTZCZGBLH-UWJYBYFXSA-N 319.365 -0.170 30 20 DBED C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC(=O)NC(=O)N1 1049756033 SKYQZNRPLIBZTE-SRVKXCTJSA-N 306.366 -0.164 30 20 DBED Cn1cc(C(N)=O)cc1C(=O)NC[C@@H]1COCCN1CC#N 1051002737 IDPQYZFMGLJBFB-LLVKDONJSA-N 305.338 -0.922 30 20 DBED CCn1ncc(CNC[C@H]2CN(C(=O)[C@H](C)C#N)CCO2)n1 1051495166 RJLZDBXVIKSCBN-YPMHNXCESA-N 306.370 -0.225 30 20 DBED N#Cc1cnc(N2CC[C@@H](NC(=O)c3ccon3)[C@H](O)C2)cn1 1051632761 UPHQRZWCABYZTL-ZYHUDNBSSA-N 314.305 -0.294 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC2(CN(CC(=O)N(C)C3CC3)C2)C1 1053188069 YZRONXDKHZZQQC-LBPRGKRZSA-N 320.393 -0.320 30 20 DBED C[C@]1(C(=O)N2CCOC3(CN(CC#N)C3)C2)CCC(=O)NC1 1053390043 RMPQKBUIOMHWOG-AWEZNQCLSA-N 306.366 -0.661 30 20 DBED C[C@@H](C(N)=O)N1CC2(C[C@H](NC(=O)c3ccc(C#N)[nH]3)CO2)C1 1053774290 WWZFPASEUOJPPH-ONGXEEELSA-N 317.349 -0.667 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)C(=O)N3CC[C@@H](C)C3)CO2)C1 1053977000 LYIVEVOECVMAKF-CHWSQXEVSA-N 305.378 -0.553 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)[C@@H]3CCCC(=O)N3C)CO2)C1 1053997700 VALOVBJOVOBSKA-KGLIPLIRSA-N 319.405 -0.020 30 20 DBED Cc1n[nH]cc1C(=O)N[C@@]1(CO)CCCN(C(=O)[C@H](C)C#N)C1 1056033943 RHWNBRLMQJHWAY-BMIGLBTASA-N 319.365 -0.039 30 20 DBED N#Cc1cnc(N2C[C@H]3[C@H](NC(=O)C4=COCCO4)[C@H]3C2)cn1 1056100321 OBBCTDKWUDZBOC-YABSGUDNSA-N 313.317 -0.213 30 20 DBED Cc1ccc(C#N)c(N2C[C@H]3[C@H](NC(=O)Cn4ncnn4)[C@H]3C2)n1 1056309859 NWRVGBYSNXQMNX-IMRBUKKESA-N 324.348 -0.501 30 20 DBED N#CCSCC(=O)N(CCO)CCNC(=O)c1cccnc1 1057026871 OYKULPDOFPTFSA-UHFFFAOYSA-N 322.390 -0.111 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)c1cccc(=O)n1C 1057171234 SUJGSUDJIWSWNA-UHFFFAOYSA-N 321.377 -0.098 30 20 DBED C#CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)COCC=C 1057196683 RTOPYXYAORJCDM-ZDUSSCGKSA-N 312.366 -0.836 30 20 DBED C#CCO[C@H](C)C(=O)N(CCO)CCNC(=O)C(C)(F)F 1057583096 GZJVUAJPSIJGFM-SNVBAGLBSA-N 306.309 -0.383 30 20 DBED C=CCn1cc(C(=O)NCCN(CCO)C(=O)C2(C)CC2)nn1 1057840225 UHEYTBRXEZTASH-UHFFFAOYSA-N 321.381 -0.185 30 20 DBED C=C[C@@H](C)[C@H](C)C(=O)NCCN(CCO)C(=O)c1cnn[nH]1 1058060302 TWAQBXHKEWYLHJ-MNOVXSKESA-N 309.370 -0.186 30 20 DBED C#CCOc1ncccc1C(=O)N(CCO)CCNC(C)=O 1058233405 IVYMDPRKAKORMQ-UHFFFAOYSA-N 305.334 -0.336 30 20 DBED C#CCO[C@H](C)C(=O)NCCN(CCO)C(=O)c1conc1C 1058651345 MBEPIZSPIMHDMX-GFCCVEGCSA-N 323.349 -0.428 30 20 DBED Cc1nnccc1C(=O)NCCN(CCO)C(=O)[C@H](C)C#N 1058652709 CMUZXBVLEGTQNQ-SNVBAGLBSA-N 305.338 -0.505 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)c1cn2c(n1)CCC2 1058661465 XCHULCGOBIZTFG-NSHDSACASA-N 319.365 -0.460 30 20 DBED C#CCCCC(=O)NCC[C@H]1CCN(C(=O)Cn2cnnn2)C1 1059129377 NIUBEQXQLCFVPW-ZDUSSCGKSA-N 318.381 -0.169 30 20 DBED CN1C[C@@H](C(=O)N[C@H]2C[C@H](Nc3nccnc3C#N)C2)NC1=O 1059364641 BCBXRVXQEWACSK-QXEWZRGKSA-N 315.337 -0.569 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](CCNC(=O)C(N)=O)C1 1059729312 QGGLWANPPNTDCD-XQQFMLRXSA-N 323.393 -0.192 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CC[C@H](NC(=O)CNC(N)=O)CC1 1060658876 KVXFSBTYOQCYRZ-DCAQKATOSA-N 309.370 -0.394 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CC[C@H](NC(=O)CCNC(N)=O)CC1 1060731683 KHWNOLDGZMDIAQ-IJLUTSLNSA-N 323.397 -0.004 30 20 DBED CC(C)(C)C#CC(=O)N1CC2(CCN(C(=O)C(N)=O)CC2)C1 1061005810 LHWSWMNAMCROPJ-UHFFFAOYSA-N 305.378 -0.028 30 20 DBED C=CCCOCC(=O)NC1(CNC(=O)CC(=O)NC)CCC1 1062844983 NUAAPHDGSYZVCI-UHFFFAOYSA-N 311.382 -0.130 30 20 DBED C#CCOCCC(=O)NC1(CNC(=O)c2cnn(C)n2)CCC1 1063640277 MTBRNFWRMFYVSR-UHFFFAOYSA-N 319.365 -0.376 30 20 DBED C[C@H]1CCCN(C(=O)C(N)=O)[C@H]1CNc1ccc(C#N)nn1 1063956445 JHZDWSAVTMKNOA-ONGXEEELSA-N 302.338 -0.127 30 20 DBED N#Cc1cnc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)[C@@H]2[C@H]3COC[C@H]32)cn1 1064322043 ABDNANLKGZEVIV-VDBHERJRSA-N 311.345 -0.066 30 20 DBED CC(=O)N[C@@H](C)C(=O)N1CCO[C@H](CNC(=O)C#CC2CC2)C1 1064817926 MHZAHSCATWRSAA-SMDDNHRTSA-N 321.377 -0.732 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)CC(=O)N(C)C)CCO1 1065165422 NAOHJUOGXBGCJH-ZDUSSCGKSA-N 323.393 -0.532 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)CCn2cccn2)C1 1065556868 KKDJIULVUMPWTC-OLZOCXBDSA-N 319.365 -0.224 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@H](CNC(=O)CN(C)C2CCC2)C1 1065559370 CBLGILWKOJDHOM-TZMCWYRMSA-N 322.409 -0.026 30 20 DBED N#Cc1ccc(N2CCOC[C@@H]2CNC(=O)[C@H]2CCOC2)nn1 1066469421 CKOPGQOZJLIQDZ-AAEUAGOBSA-N 317.349 -0.294 30 20 DBED N#Cc1nccnc1N1C[C@@H](O)[C@H](CNC(=O)c2cn[nH]c2)C1 1067651265 ISRGFBZYOYPJAW-ZYHUDNBSSA-N 313.321 -0.702 30 20 DBED N#Cc1cnc(N2C[C@@H](O)[C@@H](CNC(=O)c3cnco3)C2)cn1 1067688735 KHDYEPSBBCZDHW-GXSJLCMTSA-N 314.305 -0.437 30 20 DBED Cn1ncc(C(=O)N2C[C@H]3CC[C@H]2CN3c2cnc(C#N)cn2)n1 1068046661 DPBBYEQNCUZASZ-NEPJUHHUSA-N 324.348 -0.030 30 20 DBED N#Cc1cncc(NC[C@H]2C[C@H](NC(=O)[C@@H]3CCNC3=O)C2)n1 1068561644 JSAOVTVNCNMFIH-CKYFFXLPSA-N 314.349 -0.209 30 20 DBED CC(C)N(C)CC(=O)N[C@H]1COC2(C1)CN(C(=O)[C@H](C)C#N)C2 1068899040 FAWJSWIMNUJWNU-CHWSQXEVSA-N 322.409 -0.028 30 20 DBED O=C(C#CC1CC1)NCC1(NC(=O)c2cnn[nH]2)CCOCC1 1070163052 AFPZEFOCIZUAEM-UHFFFAOYSA-N 317.349 -0.387 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)C2=COCCO2)CCOCC1 1070230663 BAKWIDLWFCJTCY-LLVKDONJSA-N 323.349 -0.184 30 20 DBED C#CCN1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2COC(=O)N2)C1 1070407964 KNUDTMVRRVWLPJ-PWSUYJOCSA-N 317.349 -0.443 30 20 DBED COC(=O)NCC(=O)N1CCC[C@@H](NC(=O)C#CC2CC2)C1 1070487101 UXMRQOFVKCHKEZ-GFCCVEGCSA-N 307.350 -0.137 30 20 DBED N#CCN1CCNC(=O)CCN(C(=O)c2cccnc2)CC1 1070932276 HPMBYTLZJIQTHV-UHFFFAOYSA-N 301.350 -0.131 30 20 DBED C=CCN1C[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)CC[C@H]1C 1071516748 BGALGCZZGVTNRX-MNOVXSKESA-N 306.370 -0.468 30 20 DBED C#CCCN1CCCO[C@H](CNC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 1073769372 FTUCYQRXPNHOBZ-QLFBSQMISA-N 321.421 -0.059 30 20 DBED C=CCO[C@H](C)C(=O)N1CC[C@@H]2CN(C(=O)C(N)=O)C[C@@H]2CC1 1074342090 FQUFDJNAQLVNSZ-UPJWGTAASA-N 323.393 -0.240 30 20 DBED C=CCOCC(=O)NCC[C@H](C)NC(=O)[C@@]1(C)CNC(=O)C1 1075921468 YHWLIJDGWNYBJV-XHDPSFHLSA-N 311.382 -0.274 30 20 DBED C#CCOCCC(=O)NCC[C@H](C)NC(=O)[C@H]1CCN(C)C1 1076506515 XKTGZYKSYKNUKX-KBPBESRZSA-N 309.410 -0.011 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H](C)CCNC(=O)CNC(=O)NC 1076901424 FMFMDIUXQSORSL-WDEREUQCSA-N 314.386 -0.483 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)Cc2cn3c(n2)CCCC3)C1 1077032806 AVEGGOWLPHAXSQ-CHWSQXEVSA-N 303.366 -0.553 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2cccc3c2NC(=O)CO3)C1 1077147591 WEAPNJSQOFFWFE-GHMZBOCLSA-N 316.317 -0.684 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)Cn2cc(C3CC3)cn2)C1 1077263279 RCPQYCHTFPVIMN-HUUCEWRRSA-N 302.378 -0.055 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)c2ccc(=O)n(CCOC)c2)C1 1077293760 MDUIPXDHQFJUDA-ZIAGYGMSSA-N 321.377 -0.544 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)c2c3c(nn2C)CCC3)C1 1077993348 NLJZRPNFQCXXOS-ZIAGYGMSSA-N 302.378 -0.293 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)Cc2nc(C3CC3)nn2C)C1 1078202689 DDTJERHHVFGZJC-CHWSQXEVSA-N 319.409 -0.028 30 20 DBED C=CCOCC(=O)N1CC(N(CC)C(=O)[C@@H]2CCNC2=O)C1 1080217247 AKCCOYINOLTMBI-GFCCVEGCSA-N 309.366 -0.616 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2ccnn2C)C[C@H]1O 1081345944 BPWBSVSOUWTGST-WCQYABFASA-N 322.365 -0.828 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)CC(=O)NCC)C1 1081421608 BJLPTMOLTNSUQH-VXGBXAGGSA-N 311.382 -0.586 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)COCC=C)C[C@H]1O 1081442209 RWUDVNKUPJHWOM-ZIAGYGMSSA-N 308.378 -0.072 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@H](CNC(=O)Cc2ccc[nH]2)C1 1081525170 FADQIUJKXWFGIK-OCCSQVGLSA-N 321.377 -0.305 30 20 DBED C=C(Cl)CN1C[C@@H](NC(=O)Cn2cnnc2O)[C@H](OC)C1 1081554566 CTCDGNMDIASPSC-NXEZZACHSA-N 315.761 -0.448 30 20 DBED C=CCCC(=O)N1C[C@H](CNC(=O)CCCC(N)=O)[C@@H](O)C1 1081578286 YVYBNOKMEFKTBG-RYUDHWBXSA-N 311.382 -0.456 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2ccnnc2)C1 1081797107 HGKQFPKWFQZVFF-QWHCGFSZSA-N 304.350 -0.008 30 20 DBED C=C(Cl)CN1C[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)[C@H](OC)C1 1082142703 GSEMYXAKRDNLTG-LMLFDSFASA-N 301.774 -0.324 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1cncc(C(N)=O)c1 1082375114 FAGYBGRNSYDCPS-VXGBXAGGSA-N 303.322 -0.867 30 20 DBED C=CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CN(C)C(=O)N1 1083163269 WVTZWNRHRPDDRJ-RWMBFGLXSA-N 308.382 -0.502 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)c2cnc(O)cc2OC)C1 1083787052 HXAALBKFCUDXCH-NEPJUHHUSA-N 305.334 -0.406 30 20 DBED Cn1c(O)ncc(C(=O)N2CCCCC[C@@H](NCC#N)C2)c1=O 1088357657 HPPHHQNUJFRXLC-LLVKDONJSA-N 319.365 -0.016 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CC[C@H](C)N(c2cncc(C#N)n2)C1 1089116692 STMUEKXXBQNBFD-CMPLNLGQSA-N 316.365 -0.042 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2nn(CC)nc2C)[C@H](O)C1 1090851246 AXOZIONLBSFZLD-QWHCGFSZSA-N 305.382 -0.205 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2nn(CC)nc2C)[C@@H](O)C1 1090851697 HRUNEHVVTODMLO-STQMWFEESA-N 305.382 -0.205 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CN(Cc3nnnn3C)C[C@@]2(C)C1 1091544936 IKCQTRNMXSOERA-GYSYKLTISA-N 303.370 -0.350 30 20 DBED CN(CCOCCN(C)c1ccc(C#N)cn1)C(=O)CC(N)=O 1091884655 ZBQZARZOIQCDHU-UHFFFAOYSA-N 319.365 -0.260 30 20 DBED C#CCN1C[C@@H]2CN(C(=O)c3nccnc3C(N)=O)C[C@]2(C)C1 1092259385 CZJUHGNUNNOYCZ-BZNIZROVSA-N 313.361 -0.397 30 20 DBED C#CCOCCC(=O)N1CCN(c2cc(C)nc(CO)n2)CC1 1093178203 WHDDUEDTMOAUQF-UHFFFAOYSA-N 318.377 -0.034 30 20 DBED COCCOCC(=O)N[C@H]1[C@@H]2CN(c3ccnc(C#N)n3)C[C@@H]21 1093252841 BRNHDWVUKHZBSB-HBYGRHMLSA-N 317.349 -0.438 30 20 DBED N#Cc1ccc(NCCNC(=O)c2cccnc2C(N)=O)nn1 1093664434 BWJCUFIBESPTLE-UHFFFAOYSA-N 311.305 -0.316 30 20 DBED N#Cc1cnc(NCCCNC(=O)[C@H]2CCS(=O)(=O)C2)cn1 1094662185 YTGCOANEOSIJLH-JTQLQIEISA-N 323.378 -0.299 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)Cc3cncnc3)CC2=O)C1 1094729555 GSGHRDLVXRMWAH-ZDUSSCGKSA-N 313.361 -0.946 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)[C@]3(C)CCCOC3)CC2=O)C1 1094803837 PLPWGVRIDGKSAX-SUMWQHHRSA-N 319.405 -0.162 30 20 DBED CC(=O)NCC(=O)N[C@H]1CCCN(c2nccnc2C#N)C1 1096132466 CLPQKFBLXHSLPJ-NSHDSACASA-N 302.338 -0.431 30 20 DBED C[C@@H](C#N)C(=O)NCCN1CCN(c2ccc(C#N)nn2)CC1 1096277661 BWRZQQFVDOTCNW-LBPRGKRZSA-N 313.365 -0.254 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(c2ccc3nnnn3n2)C1 1096335081 QBUREBMOHPTHPP-SNVBAGLBSA-N 303.326 -0.583 30 20 DBED CS(=O)(=O)CCC(=O)N[C@@H]1CCN(c2cnc(C#N)cn2)C1 1096501663 BXQUKLQMGOVVSI-SNVBAGLBSA-N 323.378 -0.522 30 20 DBED C#CCCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN1C(=O)CN(C)C1=O 1096503496 IQUIWHKRWAOPTJ-AGIUHOORSA-N 318.377 -0.375 30 20 DBED N#Cc1ccc(N[C@H](CNC(=O)Cn2ncnn2)C2CC2)nn1 1096732001 ZDFMUXLJSOVHFO-LLVKDONJSA-N 313.325 -0.658 30 20 DBED N#Cc1c[nH]ccc1=N[C@H](CNC(=O)[C@H]1CCNC1=O)C1CC1 1096783509 LFSYSMJWEULMKE-GXTWGEPZSA-N 313.361 -0.182 30 20 DBED N#Cc1cnc(N[C@@H](CNC(=O)[C@H]2C[C@H]2C(N)=O)C2CC2)cn1 1096808777 CYXRELOXNQSPPM-WOPDTQHZSA-N 314.349 -0.224 30 20 DBED CC(=O)N[C@@H](C)C(=O)N1CC[C@H](Nc2cncc(C#N)n2)C1 1096913845 VLTVMQFTDCGMOJ-ONGXEEELSA-N 302.338 -0.114 30 20 DBED CCN1CCOC[C@H]1C(=O)NC[C@@H](C)Nc1ccc(C#N)nn1 1098128587 JLKGSQRCUIFFEZ-YPMHNXCESA-N 318.381 -0.014 30 20 DBED C#CCN(CCO)C1CCN(C(=O)[C@H](C)NC(=O)CC)CC1 1098376562 SPKHADQYYUGRLU-ZDUSSCGKSA-N 309.410 -0.180 30 20 DBED N#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cc1nc2ncccn2n1 1098389258 AEZGACSGXGOGQO-UTUOFQBUSA-N 311.349 -0.088 30 20 DBED C[C@@H](CNC(=O)[C@H](C)S(C)(=O)=O)Nc1cnc(C#N)cn1 1098389998 IUPMZHQVWPRXGD-IUCAKERBSA-N 311.367 -0.302 30 20 DBED CC(=O)N1CCOC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC#N 1098441763 VTDFZSCLBQPLNJ-YIYPIFLZSA-N 306.366 -0.521 30 20 DBED C#CCNCc1cn([C@@H]2CCN(C(=O)c3[nH]nnc3C)C2)nn1 1098698336 STZSFGZLNZDDSK-GFCCVEGCSA-N 314.353 -0.485 30 20 DBED C#CCCCC(=O)N[C@H]1CCN(CC(=O)NCC=C)C[C@H]1O 1099807896 XLURTBSRFUOCMD-UONOGXRCSA-N 307.394 -0.357 30 20 DBED C#CCOCCC(=O)N[C@H]1CCN(Cc2cnns2)C[C@@H]1O 1099835521 JFOMKQROLNFBOW-STQMWFEESA-N 324.406 -0.371 30 20 DBED C#CCOCCC(=O)N[C@H]1CCN(CCOCC=C)C[C@H]1O 1099835673 NAADXXRBTKBADE-LSDHHAIUSA-N 310.394 -0.220 30 20 DBED CN(CCNC(=O)Cn1cnnn1)c1ncc(C#N)cc1Cl 1099914469 UYBACCWEXVMZIG-UHFFFAOYSA-N 320.744 -0.154 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2c(C)n[nH]c2C)[C@@H](O)C1 1100038083 DEOXFPGDKWOOKZ-KBPBESRZSA-N 320.393 -0.159 30 20 DBED CCn1ncc(C(=O)NCCN(C)c2cnc(C#N)cn2)n1 1100061198 RCVYUDUPLNTDFM-UHFFFAOYSA-N 300.326 -0.174 30 20 DBED C[C@@H]1C[C@H](C(=O)NCCN(C)c2cncc(C#N)n2)CC(=O)N1 1100211498 PFERDLIYCFTBRA-MNOVXSKESA-N 316.365 -0.185 30 20 DBED CN1CC[C@@H](C(=O)NCCN(C)c2nccnc2C#N)C1=O 1100273586 ZKSNKTWBZNQKBS-JTQLQIEISA-N 302.338 -0.621 30 20 DBED C[C@H](C(=O)NCCN(C)c1ncccc1C#N)S(C)(=O)=O 1100394363 ZHBNVYCOVAEFBO-SNVBAGLBSA-N 310.379 -0.061 30 20 DBED CCc1n[nH]cc1C(=O)NCC1CC(NCC(=O)NCC#N)C1 1100472123 FHHWWMHVPBOLNR-UHFFFAOYSA-N 318.381 -0.290 30 20 DBED CC(C)(C(N)=O)C(=O)NC[C@@H]1CCCN1c1nccnc1C#N 1100876568 FBGRCUPVPOTPEL-JTQLQIEISA-N 316.365 -0.055 30 20 DBED C#CCNC1CC(CNC(=O)CCC(=O)N2CCOCC2)C1 1100947589 WFZAXNIJIOBNSK-UHFFFAOYSA-N 307.394 -0.257 30 20 DBED COC(=O)NCC(=O)NC[C@H]1CCN(c2nccnc2C#N)C1 1100948179 KGMZOKGKNLRBFM-SNVBAGLBSA-N 318.337 -0.353 30 20 DBED N#Cc1ccc(N2CC[C@@H](CNC(=O)Cn3ncnn3)C2)cn1 1101017538 IJRMXCOZKWJFCK-NSHDSACASA-N 312.337 -0.418 30 20 DBED Cc1cc(=NCCN(C)C(=O)[C@@H]2COCCO2)c(C#N)c[nH]1 1101508775 ROFNVFRWTWHYFG-AWEZNQCLSA-N 304.350 -0.031 30 20 DBED C=CCO[C@@H](C)C(=O)N(C)CCNc1ccc2nnnn2n1 1101668281 MWWJWBMIFPFDIT-JTQLQIEISA-N 305.342 -0.019 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN([C@@H](C)C(=O)NC(N)=O)C[C@H]1C 1101949113 UJRYYAYKQVQQME-FRRDWIJNSA-N 322.409 -0.087 30 20 DBED CN1C[C@H](C(=O)N(C)CCNc2ccc(C#N)nn2)CC1=O 1102004134 DYMUSNCRXXVDOI-SNVBAGLBSA-N 302.338 -0.303 30 20 DBED N#Cc1ccc(N2[C@H]3CC[C@H]2CN(C(=O)CNC(N)=O)C3)nn1 1102183987 NABROMGAGJPDMV-QWRGUYRKSA-N 315.337 -0.804 30 20 DBED Cc1conc1C(=O)NC[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1102496610 CHYWWSICEGEVPT-ZYHUDNBSSA-N 319.365 -0.080 30 20 DBED N#Cc1nccnc1N1CCCC[C@H](NC(=O)CNC(N)=O)C1 1102839756 CRNARFAOPJMKDM-JTQLQIEISA-N 317.353 -0.508 30 20 DBED C#CCCNCc1cn(C2CN(C(=O)[C@@H]3CCCN3C)C2)nn1 1105191776 FCJPATURYJYMAM-HNNXBMFYSA-N 316.409 -0.132 30 20 DBED C=C[C@](C)(CC)C(=O)N1CC(n2cc(CNCC(N)=O)nn2)C1 1105322610 XFPSZNXUHJVLEQ-OAHLLOKOSA-N 320.397 -0.161 30 20 DBED CN(C)CCOCC(=O)N(C)CCN(C)c1cnc(C#N)cn1 1105430881 VZVNVWIIFPSAST-UHFFFAOYSA-N 320.397 -0.179 30 20 DBED N#Cc1nc(=NC[C@H]2CCC[C@H]2NC(=O)CNC(N)=O)cc[nH]1 1105634857 DQZDQBFYFZXOFY-NXEZZACHSA-N 317.353 -0.865 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](O)CNC(=O)CSCC#N)n1 1105753619 ASJJAVCZPDXHPD-NSHDSACASA-N 320.378 -0.198 30 20 DBED CN1CCC[C@@H]1C(=O)NC[C@H](O)CNc1cnc(C#N)cn1 1105754559 HHEWJLXXNMSNED-VXGBXAGGSA-N 304.354 -0.669 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)CCn2cccn2)nn1 1105756411 UVIUCDZTHDZUNI-GFCCVEGCSA-N 315.337 -0.476 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)C[C@H]2CCOC2)nn1 1105759471 MTDPRRGYQLTXBE-PWSUYJOCSA-N 305.338 -0.336 30 20 DBED COC[C@H](C)CC(=O)NC[C@H](O)CNc1cnc(C#N)cn1 1105941065 PWDRIKLPTBTTCH-ZYHUDNBSSA-N 307.354 -0.090 30 20 DBED Cc1nonc1CC(=O)NC[C@H](O)CNc1nccnc1C#N 1105948156 VKDMZECEJCOWKU-VIFPVBQESA-N 317.309 -0.829 30 20 DBED CN1CCOC[C@H]1C(=O)NC/C=C\CNc1ccc(C#N)nn1 1107162043 PGMWSYMZIRTZOI-ZRMMWKCHSA-N 316.365 -0.237 30 20 DBED COCC#CCN1CC(N2C[C@H](NC(=O)C3CC3)CC2=O)C1 1108493072 FTWUATPANFMPAM-CYBMUJFWSA-N 305.378 -0.553 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)C(C)(C)COC)CC2=O)C1 1108557004 OZBBZZONEUVAAQ-GFCCVEGCSA-N 307.394 -0.307 30 20 DBED C[C@@H](CNc1nccnc1C#N)NC(=O)[C@H]1CN(C)C(=O)N1 1108635651 OSKVYPZDUVRTBP-WCBMZHEXSA-N 303.326 -0.712 30 20 DBED C[C@@H](CNc1cnc(C#N)cn1)NC(=O)[C@H]1CC(=O)N(C)C1 1108748434 RYARACFEKMMMSO-UWVGGRQHSA-N 302.338 -0.257 30 20 DBED CC#CCN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN1CC(=O)NC1=O)C2 1108779958 ZNTMJXZYMHLBBD-XQQFMLRXSA-N 318.377 -0.469 30 20 DBED C[C@@H](CN(C)c1cncc(C#N)n1)NC(=O)CCn1cncn1 1108825774 KUVLRQGSJNEPAV-NSHDSACASA-N 314.353 -0.029 30 20 DBED C[C@@H](CN(C)c1ccc(C#N)nc1)NC(=O)[C@H]1CNC(=O)N1 1109210625 DVDBVAVBPHKHHP-JOYOIKCWSA-N 302.338 -0.424 30 20 DBED N#Cc1nc(=NC[C@H](NC(=O)[C@H]2COCCO2)C2CC2)cc[nH]1 1109797269 ASOHXTCYIHGRRU-NWDGAFQWSA-N 317.349 -0.508 30 20 DBED CNC(=O)CC(=O)N[C@@H](CNc1cncc(C#N)n1)C1CC1 1109841944 MSAKNRFPEIQWPQ-NSHDSACASA-N 302.338 -0.209 30 20 DBED C[C@@H](C#N)C(=O)NCC1(Nc2ncnc3c2nnn3C)CC1 1110087703 ICIZMVDIWUOIHA-QMMMGPOBSA-N 300.326 -0.021 30 20 DBED C#CCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2[C@H]1CCNC1=O 1110553260 FSDBVGWGEWQBGX-MQYQWHSLSA-N 305.378 -0.364 30 20 DBED CNC(=O)CC(=O)N1C[C@@H]2CN(c3ccc(C#N)nc3)C[C@@H]2C1 1111292353 CNLFKYXEFFWMFC-TXEJJXNPSA-N 313.361 -0.016 30 20 DBED CO[C@@H](C)C(=O)NC[C@H]1COCCN1c1ccc(C#N)nn1 1111657919 VASFSBSPHVGINZ-JQWIXIFHSA-N 305.338 -0.295 30 20 DBED Cc1nsc(N2CCOC[C@H]2CNC(=O)C(N)=O)c1C#N 1111715561 MGGRKWVQAZWUEZ-MRVPVSSYSA-N 309.351 -0.870 30 20 DBED N#CCNC[C@]12CCC[C@H]1CN(C(=O)C[C@@H]1CC(=O)NC1=O)C2 1112593983 DWVXLXDTUJKWJS-MKBNYLNASA-N 318.377 -0.219 30 20 DBED C#CCOCCC(=O)N1CCN(CCNC(=O)C2CC2)CC1 1112844670 ATUYXPPVOUSCHJ-UHFFFAOYSA-N 307.394 -0.303 30 20 DBED CCNC(=O)CC(=O)N[C@H](C)[C@@H](C)N=c1cc[nH]c(C#N)n1 1112977420 ANHDONNCQRXOQQ-NXEZZACHSA-N 304.354 -0.399 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)CCc2cncnc2)CC1 1113102724 ZYTLLCRBNNLQDD-UHFFFAOYSA-N 316.365 -0.807 30 20 DBED C[C@H](NC(=O)C1CS(=O)(=O)C1)[C@H](C)Nc1nccnc1C#N 1113182928 MFAYEEZBARYBFM-IUCAKERBSA-N 323.378 -0.302 30 20 DBED C[C@@H](NC(=O)Cn1ncnn1)[C@@H](C)Nc1ccc(C#N)nc1 1113193125 FLBJDWAUSHEDIY-NXEZZACHSA-N 300.326 -0.055 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)CCc2cn[nH]c2)CC1 1113417584 MYVBAPDJIHJLSX-CYBMUJFWSA-N 317.393 -0.376 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CN(C)CCO1)N(C)c1cnc(C#N)cn1 1113534007 QEEFOXOSTPBRJS-AAEUAGOBSA-N 318.381 -0.380 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)Cn2cncn2)CC1 1113612639 JRVOMQZVQXONQM-LBPRGKRZSA-N 306.370 -0.887 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)C3=COCCO3)[C@@H]2C1 1113805556 GEGDADATORDDNW-QJPTWQEYSA-N 319.361 -0.941 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)C3=COCCO3)[C@H]2C1 1113807052 RPLYSQCCRXUWPC-CIQGVGRVSA-N 321.377 -0.388 30 20 DBED C[C@@H](CNC(=O)[C@H]1CC(=O)N(C)C1)N(C)c1cncc(C#N)n1 1113943863 PLNXZGKEJHWEGT-QWRGUYRKSA-N 316.365 -0.233 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1[C@@H]2CN(C[C@H]3CCOC3)C[C@@H]21 1114170104 MLZZGHNYJDUZCY-FOCJUVANSA-N 305.378 -0.791 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)C[C@@H]3CCNC3=O)[C@H]2C1 1114396980 GKISUOTVUQCDGY-RMRHIDDWSA-N 305.378 -0.791 30 20 DBED COCC#CCN1C[C@@H]2C(NC(=O)[C@]3(C)CCC(=O)N3)[C@H]2C1 1114787422 SMSBUBMNHFVQRC-MKBNYLNASA-N 305.378 -0.649 30 20 DBED C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N(CCO)CCO 1116700792 VYRJRFOUBDWZQV-NSHDSACASA-N 321.333 -0.271 30 20 DBED C#C[C@H](NC(=O)C(=O)Nc1cnn(CC(=O)NC)c1)C(C)C 1116907323 AXUOZHMNFCRFAA-NSHDSACASA-N 305.338 -0.658 30 20 DBED CC1(C)CN(C(=O)C(=O)N2CCN(CCC#N)CC2)CCN1 1118976457 PSZFKFDLTIWGFT-UHFFFAOYSA-N 307.398 -0.745 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC[C@H]2C[C@H](N)C2)C1=O 1119369985 IARDYMMSOMLRRR-IJLUTSLNSA-N 308.382 -0.915 30 20 DBED Cc1cc(=N[C@@H](CO)CNC(=O)COC(C)C)c(C#N)c[nH]1 1121279180 OXMZIKQUHNYGLT-CYBMUJFWSA-N 306.366 -0.002 30 20 DBED N#Cc1cncc(N[C@@H](CO)CNC(=O)Cc2ccc[nH]2)n1 1121624126 ODQMRVXZNKEBSP-GFCCVEGCSA-N 300.322 -0.192 30 20 DBED CCc1n[nH]cc1C(=O)NC[C@@H](CO)Nc1cnc(C#N)cn1 1122830376 UOHQDEOEYFCHDI-JTQLQIEISA-N 315.337 -0.163 30 20 DBED CNC(=O)CC(=O)N1CC[C@@H](Nc2ccc(C#N)nn2)[C@H]1C 1122973249 YSHPRANVJFPVEX-MWLCHTKSSA-N 302.338 -0.114 30 20 DBED CS(=O)(=O)CC1(CNCCNC(=O)CSCC#N)CC1 1123792095 HTQVLIRWJDAWAT-UHFFFAOYSA-N 319.452 -0.226 30 20 DBED CN(C[C@@H](O)CNc1ccc(C#N)nn1)C(=O)c1cnnn1C 1124271760 OWVGWWUUPYLWEZ-JTQLQIEISA-N 316.325 -0.978 30 20 DBED CC(=O)NCC(=O)N(C)C1CC(Nc2ccc(C#N)nn2)C1 1126837224 QIKRXTKLAYYURO-UHFFFAOYSA-N 302.338 -0.114 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cn2c(n1)CCCC2 1128564036 NYAJJAQRIAXAMG-UHFFFAOYSA-N 303.366 -0.712 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CN(C)C[C@@H](C)O1 1130184335 MCVULGPHNMHURF-JHJVBQTASA-N 312.414 -0.898 30 20 DBED C#CCOCCC(=O)N[C@@H]1CC[C@H](C)N(CC(=O)NC(N)=O)C1 1132029274 JVXNWZSNURRVFR-NWDGAFQWSA-N 324.381 -0.810 30 20 DBED C#CCCNC[C@H]1CN(C(=O)CN2CCOCC2=O)CC[C@@H]1C 1132900180 CBHZZSKSXKJGHL-GJZGRUSLSA-N 321.421 -0.057 30 20 DBED Cc1cn(C)nc1C(=O)N[C@H](C)C[C@H](C)NCC(=O)NCC#N 1134335187 ZGFQUEUOKQCDGD-NWDGAFQWSA-N 320.397 -0.145 30 20 DBED C=CCOCCNCCNC(=O)C(C)(C)NS(C)(=O)=O 1134963399 IBSNCJHALLPRPT-UHFFFAOYSA-N 307.416 -0.777 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)C(C)(C)NC(C)=O)C1=O 1135375809 YNDFHYDNHSYANL-LBPRGKRZSA-N 310.398 -0.606 30 20 DBED COCC#CCNCCNC(=O)c1ccc2nnn(C)c2c1 1149222829 AHZZKLSWIYOGRG-UHFFFAOYSA-N 301.350 -0.063 30 20 DBED COCC#CCN1CCCO[C@@H](CNC(=O)c2ccnn2C)C1 1149302010 NBDQIBITEQGYTF-AWEZNQCLSA-N 320.393 -0.109 30 20 DBED N#CCN1CCCO[C@H](CNC(=O)CCN2C(=O)CCC2=O)C1 1149953644 JETMYAFPEVXOOW-GFCCVEGCSA-N 322.365 -0.744 30 20 DBED N#CCN1CCCO[C@@H](CNC(=O)COC[C@@H]2CCOC2)C1 1150394931 NOZPDYGHKOYCOO-KGLIPLIRSA-N 311.382 -0.230 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)c1cncnc1C 1152090302 ULLATFSQYBBRLR-LLVKDONJSA-N 318.381 -0.135 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)C[C@H]1CCOC1 1152493753 HSNRZXBYRXCDSQ-CHWSQXEVSA-N 310.398 -0.121 30 20 DBED C=CCNC(=O)CN(CC)[C@H](C)CNC(=O)[C@H]1CCNC1=O 1154601713 FOURNOZLMHSBFZ-NEPJUHHUSA-N 310.398 -0.749 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)c1n[nH]cc1F 1155088625 FNBVQVZAMAOGHS-SECBINFHSA-N 310.333 -0.371 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)c2ccnn2C)C1=O 1155480570 FXZNIVOCTMABBP-GFCCVEGCSA-N 305.382 -0.084 30 20 DBED N#CCNC(=O)CNCCCNC(=O)c1cccn2nccc12 1161804355 WESDEMFMJUKQAO-UHFFFAOYSA-N 314.349 -0.316 30 20 DBED COCC#CCNCC1(CCNC(=O)C2CN(C(C)=O)C2)CC1 1164280212 OOKZFFXBBQDYSO-UHFFFAOYSA-N 321.421 -0.009 30 20 DBED CCN(CCC#N)C(=O)CNCCCNC(=O)Cc1nc[nH]n1 1170717237 LASSVQFQDRNQNP-UHFFFAOYSA-N 321.385 -0.795 30 20 DBED CCCNC(=O)CCC(=O)NCCCNCC(=O)NCC#N 1171468664 NAMKOPXGEDUHHV-UHFFFAOYSA-N 311.386 -0.972 30 20 DBED C=CCNCCCC[C@H](C)NC(=O)C[C@H](NC(C)=O)C(N)=O 1175581799 TVQCJRKLZGFJBP-AAEUAGOBSA-N 312.414 -0.183 30 20 DBED C#CCCNCCCC[C@@H](C)NC(=O)C[C@H](NC(C)=O)C(N)=O 1175581960 WPKSVKBOCSPPIO-OCCSQVGLSA-N 324.425 -0.346 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC[C@H](NCc2nc(O)n[nH]2)[C@@H]1C 1178572611 MWEVORHNLASWHL-PKFCDNJMSA-N 309.370 -0.084 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)[C@@]23COC[C@@H]2C3)[C@H]1C 1178736070 MTYSJIUGENKHAM-QCQGSNGOSA-N 305.378 -0.649 30 20 DBED Cc1ccncc1CC(=O)N1CC[C@@H](NCC(=O)NCC#N)C1 1183354141 RKMPZSUNZXWKQL-CQSZACIVSA-N 315.377 -0.237 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)CCCCN(C)C)C1 1187232190 WVMGSCDLZYDQHV-CQSZACIVSA-N 308.426 -0.342 30 20 DBED C=CCNC(=O)[C@@H](C)N(C)[C@H]1CCN(C(=O)CNC(C)=O)C1 1188692785 CQJNMYXOKMPCAW-YPMHNXCESA-N 310.398 -0.654 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@@H](N(C)CC(=O)N2CCC2)C1 1190094935 OSNCUANJAGCJIQ-ZIAGYGMSSA-N 307.394 -0.210 30 20 DBED COCC#CCN(C)[C@H]1CCN(C(=O)[C@]2(C)CCNC2=O)C1 1192326572 SCITVWOUMRINHX-XJKSGUPXSA-N 307.394 -0.305 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN([C@H](C)c2noc(C)n2)C[C@H]1O 1192886291 OYUCRPXHHXQHHO-RAIGVLPGSA-N 322.365 -0.360 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)NC(=O)CC)C1 1193189961 BGUCRIMAPSWOGT-JHJVBQTASA-N 313.398 -0.735 30 20 DBED C#CCC1(C(=O)N[C@@H]2CN(CC(=O)NC(C)C)C[C@H]2O)CCC1 1193686006 SFTMBQHYGYMNRI-ZIAGYGMSSA-N 321.421 -0.134 30 20 DBED COCC#CCN1CCCN(C(=O)Cc2n[nH]c(C)n2)CC1 1195754322 LNPOLJVNSZETPF-UHFFFAOYSA-N 305.382 -0.160 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@H](C)NC(=O)CC2CCCC2)C1 1196924566 CNAVFFGKGRQBNY-NWANDNLSSA-N 321.421 -0.134 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)CNC(=O)c2ccc(F)cc2)C1 1198359446 NXICWBGRHIYMSW-ZIAGYGMSSA-N 321.352 -0.097 30 20 DBED N#CCSCC(=O)N1CCC(N[C@@H]2CCC(=O)NC2=O)CC1 1199386687 FBMZXOYUYCXWAE-LLVKDONJSA-N 324.406 -0.371 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)C=C(C)C)CCCO1 1199753306 MMSSIIFMEFSLPL-CQSZACIVSA-N 307.394 -0.091 30 20 DBED C[C@H](CN1CCOCC1)C(=O)N1CCCO[C@@H](CNCC#N)C1 1202068476 JYAOWFXAXLRHPM-CABCVRRESA-N 324.425 -0.315 30 20 DBED C#CCNC(=O)CN[C@@H]1C[C@@H](NC(=O)c2ncc[nH]2)C12CCC2 1202856782 MNGCTOMRHQQQGE-VXGBXAGGSA-N 315.377 -0.210 30 20 DBED N#CCN[C@@H]1C[C@H](NC(=O)CCCS(N)(=O)=O)C12CCC2 1203326321 UGTWXJFUDMRWTN-MNOVXSKESA-N 314.411 -0.404 30 20 DBED Cc1c[nH]c(C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@H]2C)n1 1209298748 FOLWLEJGZPWVDG-MWLCHTKSSA-N 304.354 -0.592 30 20 DBED C#CCCN1C[C@@H](NC(=O)[C@H](CCC(N)=O)NC(C)=O)[C@H](C)C1 1209529949 CVZLQFSDEZSRJX-KWCYVHTRSA-N 322.409 -0.784 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC[C@@H](NCC(N)=O)C1 1209982761 POLIVSQRSNQWCM-OLZOCXBDSA-N 310.398 -0.477 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)[C@H]2CCCN2C)[C@H](OC)C1 1212036181 MEFUOBOUYNTKAQ-MGPQQGTHSA-N 324.425 -0.802 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)CCCCN1CCOCC1 1213576515 OINXKFHNEKUZIB-HUUCEWRRSA-N 324.425 -0.172 30 20 DBED COCC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1csnn1 1218390003 UFROZTLQWMALIU-QWHCGFSZSA-N 322.390 -0.287 30 20 DBED N#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)CCc2ccco2)C1 1219176786 FKTLARDCQFDEGU-OLZOCXBDSA-N 320.349 -0.987 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(CCN2C(=O)CCC2=O)C[C@@H]1O 1219523216 CIFFMWRBIBROAS-OLZOCXBDSA-N 321.377 -0.900 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(CC(=O)N2CCCC2)C[C@@H]1O 1219524064 ZCMAADLPOKOSOO-KGLIPLIRSA-N 307.394 -0.426 30 20 DBED C[C@@H](C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@@H]1O)C(C)(C)C 1219882146 VLLKEFPEJLCRNZ-TUAOUCFPSA-N 310.398 -0.530 30 20 DBED COCC#CCN1CC[C@@H]2CCN(C(=O)CNC(N)=O)C[C@@H]21 1222251710 GJMQJAVQDVEHGT-OLZOCXBDSA-N 308.382 -0.773 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@H]1CN(C)C(=O)Cc1ccon1 1231395838 OZXPXOYNCBGYQS-OCCSQVGLSA-N 318.377 -0.112 30 20 DBED CN(C[C@H]1CCN1CC(=O)NCC#N)C(=O)Cc1cncs1 1235600223 CATUPJLYWOICPL-LLVKDONJSA-N 321.406 -0.142 30 20 DBED N#CCNC(=O)CN1CCC(NC(=O)N2CCOCC2)CC1 1261639657 KHTHNBMZSJBXSZ-UHFFFAOYSA-N 309.370 -0.868 30 20 DBED COc1ccc(S(N)(=O)=O)cc1NC(=O)CN(C)CC#N 1319929116 QXZSYOXRBCIEMY-UHFFFAOYSA-N 312.351 -0.264 30 20 DBED N#CCCn1ccc(NC(=O)C(=O)N2CCSC[C@H]2CO)n1 1320594544 CWDYVKHOZNMKDU-SNVBAGLBSA-N 323.378 -0.328 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CCCN(CCC)C(=O)C1 1323528822 TZDVICFUAZNHPA-GFCCVEGCSA-N 311.382 -0.226 30 20 DBED C=C(C)COCCNC(=O)C(=O)N1CC[C@H](S(C)(=O)=O)C1 1324309048 NWRRPODLMFGTSH-NSHDSACASA-N 318.395 -0.659 30 20 DBED C=C(C)COCCNC(=O)C(=O)N1CCC[C@@H](C(=O)NC)C1 1325551973 ZQHGLXYGHNIOPL-GFCCVEGCSA-N 311.382 -0.320 30 20 DBED CCS(=O)(=O)CCNC(=O)C(=O)Nc1cccc(C#N)n1 1326076345 CXRSCZRMBAGZCF-UHFFFAOYSA-N 310.335 -0.557 30 20 DBED C=CCn1cc(CNC(=O)C(=O)NCC(C)(C)CCCO)nn1 1326706681 VKVQWNOWYMNRSP-UHFFFAOYSA-N 323.397 -0.005 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)N2CCCC[C@H]2CCO)C1 1327023502 WVOIIEBUZBYSHA-WFASDCNBSA-N 309.366 -0.373 30 20 DBED CN(C[C@H]1CCCN1C)C(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1327038651 JEWQVAVMRQLGRS-DOMZBBRYSA-N 308.382 -0.584 30 20 DBED C=CCN1CCC(NC(=O)C(=O)NCc2ncccn2)CC1 1330016118 KPLWIABETRCPQB-UHFFFAOYSA-N 303.366 -0.141 30 20 DBED C=C[C@](C)(O)C(=O)NCc1cn(C)nc1NC(=O)[C@@](C)(O)C=C 1334373617 RDJXEDKKIBFSTB-GJZGRUSLSA-N 322.365 -0.151 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCC[C@H]1C1OCCO1)[C@H]1CCCO1 1334905432 AUURQVBTZPVNEJ-RWMBFGLXSA-N 322.361 -0.353 30 20 DBED C=CCOCCn1nnnc1N1CCc2nn(C)c(=O)cc2C1 1335515085 RCCCAGBEVWNBAZ-UHFFFAOYSA-N 317.353 -0.468 30 20 DBED C=CCn1c([C@@H]2CNC(=O)C2)nnc1N1CCN(C)C(=O)C1 1339505445 OHJVOCOKEPUVSK-JTQLQIEISA-N 304.354 -0.654 30 20 DBED COC(=O)C[C@@H](O)CNC(=O)C(=O)Nc1sccc1C#N 1348368487 RAPDFQBEZBQCHM-MRVPVSSYSA-N 311.319 -0.402 30 20 DBED CN(C)C(=O)CCCNC(=O)C(=O)N1CCN(CCC#N)CC1 1352447565 VUZFGTVDZXSSII-UHFFFAOYSA-N 323.397 -0.971 30 20 DBED C[C@H](CNC(=O)CCn1cc(C#N)c(O)nc1=O)C[C@@H](C)O 1362009287 AIVPFLCIUUMNED-VHSXEESVSA-N 308.338 -0.266 30 20 DBED C[C@@]1(NC(=O)CCn2cc(C#N)c(O)nc2=O)CCCOC1 1362382868 PHTXGJFGBWJEIA-CQSZACIVSA-N 306.322 -0.104 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)c2cn(C)c(=O)n2C)CC1 1378886939 XOAFMOHYDVWKRA-SECBINFHSA-N 305.338 -0.738 30 20 DBED Cn1cccc1C(=O)NC[C@H](O)CNC(=O)c1c[nH]c(C#N)c1 1399788136 PKFVETGCRSDCSY-GFCCVEGCSA-N 315.333 -0.254 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1ncn(C(C)(C)C)n1 1399869358 NMJPFCKFIGMRBK-UWVGGRQHSA-N 322.369 -0.600 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]1CNC(=O)CCn1cnccc1=O 1400486742 QMVANGKWHKVOOG-RYUDHWBXSA-N 317.349 -0.490 30 20 DBED N#CCc1ccc(S(=O)(=O)N2C[C@@H](CO)[C@@H](CO)C2)cc1 1424537617 MWCLWYYACYMGNB-BETUJISGSA-N 310.375 -0.026 30 20 DBED CCCN(CCNC(=O)CS(C)(=O)=O)C(=O)[C@H](C)C#N 1449691874 ZLBBNVIBISMVSY-SNVBAGLBSA-N 303.384 -0.455 30 20 DBED Cc1ncccc1CC(=O)NC[C@H](O)CNC(=O)[C@H](C)C#N 1452401163 BDVPJLMXVLPGDK-MFKMUULPSA-N 304.350 -0.315 30 20 DBED Cc1ncc(C(=O)NCCn2cc(C#N)c(O)nc2=O)n1C 1470361498 RUBPXGYNCOSYNL-UHFFFAOYSA-N 302.294 -0.708 30 20 DBED C=CCn1c([C@@H](C)CO)nnc1N1CCO[C@H](CNC(C)=O)C1 1520497022 LJSPOHQFOISNJG-WCQYABFASA-N 323.397 -0.099 30 20 DBED C[C@H](CNC(=O)Cn1cncn1)CNC(=O)c1cc(C#N)c[nH]1 1532175389 DYIWMNOYJJLVIE-SNVBAGLBSA-N 315.337 -0.340 30 20 DBED C=CCNC(=O)CNC1(C)CCN(C(=O)[C@H]2C[C@H]2C(=O)O)CC1 1573367822 BIQMMXUBFABPOE-NWDGAFQWSA-N 323.393 -0.020 30 20 DBED C#CC[C@]1(C(=O)N2CCN(c3n[nH]c(C)n3)CC2)CCCN1 1574517769 PZQDQNXKMHYUBL-OAHLLOKOSA-N 302.382 -0.093 30 20 DBED Cc1c(C#N)c(=O)n(CCN2CCNCC2)c(=O)n1C1CC1 1579519558 FXVANBIRGAQXNI-UHFFFAOYSA-N 303.366 -0.570 30 20 DBED C#CCOCCc1nc(-c2cn(CC(=O)O)c(=O)nc2O)no1 1588430773 GNTVHHHVYJUFSC-UHFFFAOYSA-N 320.261 -0.724 30 20 DBED C=CCNC(=O)NC(=O)Cn1cc(-c2nn[nH]n2)ccc1=O 1588658328 GKRNSPSGKAZJLH-UHFFFAOYSA-N 303.282 -0.960 30 20 DBED CCOC(=O)COCCn1c(C)nc(C#N)c1-c1nn[nH]n1 1590765642 ZZMMYLSWDTYHBQ-UHFFFAOYSA-N 305.298 -0.177 30 20 DBED CN(C)CC#CCNC(=O)COc1ccc(-c2nn[nH]n2)cc1 1591012612 YOLMWHONAJRDKR-UHFFFAOYSA-N 314.349 -0.073 30 20 DBED CN(C)S(=O)(=O)CCC(=O)N1CCC(C#N)(C(=O)O)CC1 1598259302 FTVHTAVJZYBRAA-UHFFFAOYSA-N 317.367 -0.515 30 20 DBED C#CC[C@@H](COC)NC(=O)C(=O)N[C@@H]1CC[C@H](CC(=O)O)C1 1602683704 TWNBYBRQNWWFJK-TUAOUCFPSA-N 310.350 -0.100 30 20 DBED C=CCN(CC=C)C(=O)Cn1cncc(-c2nn[nH]n2)c1=O 1602849971 KJLHIZPGFMISJI-UHFFFAOYSA-N 301.310 -0.376 30 20 DBED N#Cc1nc(NC(=O)C[C@H]2COC(=O)C2)[nH]c1-c1nn[nH]n1 1606354893 XMWFPVABAGSTIO-RXMQYKEDSA-N 302.254 -0.647 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)NC[C@@H](O)c1cnn(C)c1 1645764572 PUTOHJXSVYGCAQ-MWLCHTKSSA-N 301.372 -0.478 30 20 DBED C[C@H]1CN(C(=O)CN2CC[C@H](NC(=O)C#CC3CC3)C2)CCO1 1665459241 LXPOWKXCWQRZQA-ZFWWWQNUSA-N 319.405 -0.162 30 20 DBED C#CCNC(=O)CNC[C@H]1CCN(C(=O)c2n[nH]c(C)c2O)C1 1752933507 FQMQUHXTGJRSEV-LLVKDONJSA-N 319.365 -0.775 30 20 DBED C#CCO[C@@H](C)C(=O)NCCN(C1CC1)[C@@H]1CCC(=O)NC1=O 1753154409 HVHJXEPJLDVTPO-WCQYABFASA-N 321.377 -0.590 30 20 DBED C#CCNC(=O)[C@H](C)NCCN(C)C(=O)C1CCC(O)CC1 1753186110 LRSDNJONJOEHNL-HSBZDZAISA-N 309.410 -0.277 30 20 DBED N#CCNC(=O)CN1[C@H]2CC[C@H]1CN(C(=O)c1ncccn1)C2 1753309929 XOCMPWSAGXWCME-RYUDHWBXSA-N 314.349 -0.595 30 20 DBED CNS(=O)(=O)CCC(=O)N[C@@](C)(CNCC#N)C1CC1 1753519239 ZTRTZTPRSQOGCA-LBPRGKRZSA-N 302.400 -0.676 30 20 DBED N#CCNC(=O)CNC[C@H]1CCC[C@@H]1NC(=O)[C@@H]1[C@H]2COC[C@H]21 1753895209 MBENOAVYRUZJNY-BIGJJFBESA-N 320.393 -0.607 30 20 DBED C=CCNC[C@H](O)CNC(=O)[C@@H]1COCCN1CC(F)F 1753922079 NLVZIWKFDMZVFJ-QWRGUYRKSA-N 307.341 -0.795 30 20 DBED C=CCNC(=O)[C@@H](C)NC[C@@H]1CCCN1C(=O)C(C)(C)C(N)=O 1754612261 NEZZWFTZJPMIJA-NEPJUHHUSA-N 324.425 -0.231 30 20 DBED C[C@H](NS(C)(=O)=O)C(=O)N1CC[C@H](CCNCC#N)C1 1754933020 LFHUPBHMVCFSLI-QWRGUYRKSA-N 302.400 -0.724 30 20 DBED C[C@@H](NCC(=O)NCC#N)[C@@H](C)NC(=O)c1ccc(F)nc1 1755233112 YMJRSGWKGATHNI-NXEZZACHSA-N 307.329 -0.043 30 20 DBED C#CCN(C)CCOCCNC(=O)[C@@H]1CCCS1(=O)=O 1755545840 BTKMKHKJGTWERY-LBPRGKRZSA-N 302.396 -0.739 30 20 DBED C#CCNC(=O)CN1CCC[C@H](NC(=O)Cc2cnc[nH]2)[C@@H]1C 1755724172 UHCBHSSHLAJMOO-JSGCOSHPSA-N 317.393 -0.329 30 20 DBED C=C(C)CCNC[C@H](O)CN(C)C(=O)[C@H]1CCCS1(=O)=O 1755796363 PICKNWXXAQUMSL-QWHCGFSZSA-N 318.439 -0.061 30 20 DBED COCC#CCNCCOCCN(C)C(=O)c1cn(C)cn1 1755872501 NGLXYXCRODIVQX-UHFFFAOYSA-N 308.382 -0.252 30 20 DBED C=CCCCC(=O)N[C@H](C)[C@@H](C)NC(=O)CN1C(=O)CNC1=O 1755979338 AWAGZQMLYPJKFN-GHMZBOCLSA-N 324.381 -0.096 30 20 DBED C[C@@H](CNC(=O)C#CC1CC1)N(C)C(=O)CN1CCOCC1 1756024273 MIJXZCFCMZXFCK-ZDUSSCGKSA-N 307.394 -0.305 30 20 DBED C=C[C@H](CC)CC(=O)N1CCO[C@@]2(CCN(C(=O)C(N)=O)C2)C1 1756169225 NHTZELLSCGXEGP-WBMJQRKESA-N 323.393 -0.096 30 20 DBED C[C@@H](C#N)C(=O)NCCOCCN(C)C(=O)[C@H]1CCC(=O)N1C 1756381897 RZIUPSHZRUKUNL-NWDGAFQWSA-N 324.381 -0.642 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H](CO)CNC(=O)C1CCC1 1756501383 RDZQUZRHPPYDIC-KGLIPLIRSA-N 307.394 -0.523 30 20 DBED CN(C[C@@H](O)CNC(=O)C#CC1CC1)C(=O)C[C@@H]1CCOC1 1756654989 BPJLXBOKSKHPRK-KBPBESRZSA-N 308.378 -0.238 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H](O)CN(C)C(=O)Cc1cnoc1 1756674484 MYAZGZGFGXKOEF-WCQYABFASA-N 323.349 -0.809 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC1(CNC(=O)C(N)=O)CC1 1756896064 IDIPCZOJLQUMMW-RYUDHWBXSA-N 323.393 -0.144 30 20 DBED CNC(=O)CCCC(=O)N[C@@H]1CN(C(=O)C#CC(C)C)C[C@H]1O 1756997827 JDAPUDROQJWKKH-CHWSQXEVSA-N 323.393 -0.750 30 20 DBED CC(=O)NCC(=O)N1C[C@H]2CCN(C(=O)C#CC3CC3)C[C@H]21 1757216577 MAOQAXKZXDLXQW-ZIAGYGMSSA-N 303.362 -0.405 30 20 DBED CC(C)[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC#N 1795077645 SGTGTAWKGHMQBD-XCCSTKFXSA-N 309.366 -0.493 30 20 DBED C[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)C 1795186159 BVYLLIANXCQCEU-HNCHTBHHSA-N 315.439 -0.544 30 20 DBED O=C(COCCO)N1CC2(CCCN2C(=O)C#CC2CC2)C1 1841542472 YCIRRRFRXOOHNV-UHFFFAOYSA-N 306.362 -0.388 30 20 DBED Cc1cnoc1C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1844619572 UDASLODYJYMKIJ-UHFFFAOYSA-N 317.301 -0.112 30 20 DBED CCn1cc(C#N)c(=O)n(CC(=O)NCc2cccnc2)c1=O 78772635 GQCJPJICZMQRAA-UHFFFAOYSA-N 313.317 -0.387 30 20 DBED C=CCN(C)C(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 152890938 KLVPLFGHBLKTMV-WDEREUQCSA-N 300.380 -0.334 30 20 DBED N#C[C@@H]1COCCN1CC(=O)c1c(O)nc(=O)n(C2CC2)c1N 266878812 VSGHRNLAWXZFFX-SECBINFHSA-N 319.321 -0.727 30 20 DBED COc1ccc(C(=O)NCC(=O)NCC#CCO)cc1OC 283232673 IWWJXXSWSGYJDH-UHFFFAOYSA-N 306.318 -0.455 30 20 DBED C[C@@H](/N=C(/O)c1cnc2c(c1)nnn2C)C(=O)N1CCOCC1 329623694 UWZXWKAOMHRURA-SECBINFHSA-N 318.337 -0.085 30 20 DBED CC/N=C(/O)N1CC[C@@H](NS(=O)(=O)c2cnnn2C)C1 330069344 WFNVBOQPQUPJBZ-MRVPVSSYSA-N 302.360 -0.898 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CC[C@H](NC(=O)NC)C1 336941972 KCZSEXHPCDHQAI-JTQLQIEISA-N 303.388 -0.530 30 20 DBED CCC[C@@H](CCO)CNS(=O)(=O)N1CCO[C@@H](C#N)C1 337086376 FAIDQURGSQXYDH-RYUDHWBXSA-N 305.400 -0.156 30 20 DBED C=CCOC[C@H](NS(=O)(=O)N(C)C[C@H](C)C#N)C(=O)OC 337159287 RPKRMQORSQHSJC-MNOVXSKESA-N 319.383 -0.344 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCN(C)C(=O)[C@H]1C 337196053 WCYYVYCXHGTMLP-WDEREUQCSA-N 302.400 -0.125 30 20 DBED C[C@H](C#N)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 340449907 SVLIYYWIHGCIRG-RKDXNWHRSA-N 324.362 -0.519 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)Nc2cncnc2)CC1 343749048 ONSKFDHHDDEABH-UHFFFAOYSA-N 304.354 -0.072 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)N2CCc3nn[nH]c3C2)cc1 346042298 VKAMEBFYKHHFHF-UHFFFAOYSA-N 310.317 -0.009 30 20 DBED Cc1cc(NC(=O)CSCC(=O)N2CC(O)(CC#N)C2)no1 352217369 OYTBWRJMXKDCJL-UHFFFAOYSA-N 324.362 0.142 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CCO[C@@H]2C)CC1 362362447 MSUZWMNIBDWMMK-KGLIPLIRSA-N 307.394 -0.305 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N1CCN2C(=O)OC[C@H]2C1 367172915 OLHIBLWTWONVFK-NXEZZACHSA-N 302.356 -0.398 30 20 DBED N#Cc1ccccc1OC[C@H](O)CN1CC[C@@H](O)[C@@H](CO)C1 396839840 BGZVLKURVNXKJP-RBSFLKMASA-N 306.362 -0.027 30 20 DBED C=C[C@H]1CCCCN1C(=O)C(=O)NCCCN1CCNCC1 419855459 QTHXKPHLBKFOAS-AWEZNQCLSA-N 308.426 -0.035 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCC[C@H](O)C2)CC1 439252037 YQVWTKYPRXHYJI-KGLIPLIRSA-N 309.410 -0.016 30 20 DBED C#CCNC(=O)CN1CCN(Cc2cccnc2OC)CC1 491668131 YVMAPOQIZGTSNJ-UHFFFAOYSA-N 302.378 -0.043 30 20 DBED Cc1cc(C#N)cnc1C(=O)N1CCN(S(N)(=O)=O)CC1 555730670 CLDNAWUNKPMIFW-UHFFFAOYSA-N 309.351 -0.777 30 20 DBED C=CCN(CC=C)C(=O)CN1C(=O)N[C@]2(CCCNC2)C1=O 572518283 JTQWRLPKGMISHQ-HNNXBMFYSA-N 306.366 -0.139 30 20 DBED CCCNC(=O)CNC(=O)C(=O)Nc1cc(C)c(C#N)cn1 575758575 GCVAAJAQQLSQCW-UHFFFAOYSA-N 303.322 -0.157 30 20 DBED CC(=O)NCCNC(=O)N1CCN(c2cnccc2C#N)CC1 580686370 GROIJABZHUVXGH-UHFFFAOYSA-N 316.365 -0.079 30 20 DBED N#Cc1ccc(S(=O)(=O)CCN2C[C@@H]3[C@@H](CO)[C@@H]3C2)nc1 590005473 ZMEGIGOZBHHZGX-ITGUQSILSA-N 307.375 -0.103 30 20 DBED CC(C)OCCS(=O)(=O)NCC(=O)N1CC[C@](F)(C#N)C1 615588288 NRGGPBHKBDSMDU-LBPRGKRZSA-N 321.374 -0.205 30 20 DBED CCN(C(=O)CN1CC[C@](F)(C#N)C1)[C@H]1CCS(=O)(=O)C1 615646076 PVECFWFCGJPSOG-AAEUAGOBSA-N 317.386 -0.040 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)NCCOC[C@@H]2CCOC2)CCO1 619709592 GNSOXXPAXZKTLO-VXGBXAGGSA-N 319.383 -0.902 30 20 DBED CC#CC[C@@H](CO)NS(=O)(=O)c1cc(C(=O)NC)n(C)c1 645882768 ZIKCWCSZNZHYTB-JTQLQIEISA-N 313.379 -0.563 30 20 DBED C=CCNC(=O)CNC(=O)CC1CCN(S(C)(=O)=O)CC1 654985274 JPMLMCKCSMMOKT-UHFFFAOYSA-N 317.411 -0.534 30 20 DBED C=C(C)COCCNC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1OC 660908354 YRJALKHFUVDARD-GHMZBOCLSA-N 306.384 -0.310 30 20 DBED C[C@@H]1Oc2ccccc2N(CC(=O)OCC(=O)NCC#N)C1=O 731240698 KBNDMKWBFYXNLN-JTQLQIEISA-N 317.301 -0.017 30 20 DBED C#CCCN1CCC(NC(=O)[C@@H]2COCCN2C(C)=O)CC1 764325990 GBHCAUCNUJCQFV-HNNXBMFYSA-N 307.394 -0.162 30 20 DBED C#CCN1CCN(C(=O)CCC[C@]2(C)NC(=O)NC2=O)CC1 771843508 XIVDXGCHJXAARE-HNNXBMFYSA-N 306.366 -0.468 30 20 DBED C[C@@H]1C[C@@H]1C=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 771897678 QJEFFEJNIGMKEI-HTQZYQBOSA-N 300.340 -0.996 30 20 DBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)CCN1CCOCC1 775550380 APMLQFQGHKIEHL-UHFFFAOYSA-N 320.397 -0.023 30 20 DBED Cn1c(N)c(C=NNc2ncncc2Cl)c(=O)n(C)c1=O 780279763 IYZPBJBERURLAM-UHFFFAOYSA-N 309.717 -0.444 30 20 DBED Cn1c(N)c(C(=O)COC(=O)CC(C)(C)C#N)c(=O)n(C)c1=O 785090022 BFRHVJYCFUAUDI-UHFFFAOYSA-N 322.321 -0.668 30 20 DBED C#CCn1cc(CNC(=O)CCN2CCCS2(=O)=O)cn1 791264612 OLNCGPZRNHIGBG-UHFFFAOYSA-N 310.379 -0.442 30 20 DBED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CC[C@H]1O 819682840 GDGJBEHCFKXHDH-GHMZBOCLSA-N 323.374 -0.245 30 20 DBED C=C[C@@](C)(O)C(=O)N1CCN(C[C@@H]2CCCS2(=O)=O)CC1 820437867 CITILGUEOBFQIF-GXTWGEPZSA-N 316.423 -0.355 30 20 DBED C#C[C@H](NC(=O)C(=O)NCc1ccnn1CC)[C@@H]1CCCO1 829213680 AJZPCBAJCSNFMD-STQMWFEESA-N 304.350 -0.184 30 20 DBED CN1CCN(C(=O)NCCNc2ccc(C#N)cn2)[C@@H](CN)C1 841700467 NWHPDHQFELYVJJ-ZDUSSCGKSA-N 317.397 -0.351 30 20 DBED N#C[C@@H]1CNC[C@H]1NC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 846677043 JMYNVLFOUOQPMT-DMDPSCGWSA-N 302.334 -0.144 30 20 DBED C#C[C@H](C)NS(=O)(=O)CCCS(=O)(=O)N[C@@H](C)C#N 848965750 WOMXYNMYFRBFQP-UWVGGRQHSA-N 307.397 -0.851 30 20 DBED CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)C#CC2CCNCC2)O1 852887733 DHLLRPDRDOHMGF-ZIAGYGMSSA-N 307.394 -0.259 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)CN1C(=O)NC(CC)(CC)C1=O 853213594 UNNWDFBDMCFQFX-JTQLQIEISA-N 323.349 -0.222 30 20 DBED CC(C)C#CC(=O)N1CCS(=O)(=NS(C)(=O)=O)CC1 854590176 PGMOKCWIYMXCGP-UHFFFAOYSA-N 306.409 -0.084 30 20 DBED C#CCCS(=O)(=O)N1CCN(S(=O)(=O)C2CC2)CC1 859276756 NYHNHIFGCVDVPJ-UHFFFAOYSA-N 306.409 -0.551 30 20 DBED C=C(CN(C)C)C(=O)N1CCN(S(=O)(=O)C2CC2)CC1 862632437 PVXAFIPURORIKC-UHFFFAOYSA-N 301.412 -0.259 30 20 DBED CO[C@@H](CN)CC(=O)N1CCN(c2ccc(C#N)nc2)CC1 877297111 ODAXLJABCIQREP-CQSZACIVSA-N 303.366 -0.034 30 20 DBED C=CCS(=O)(=O)CCNS(=O)(=O)C(COC)COC 882058566 IOSYIFYVSOWPEI-UHFFFAOYSA-N 315.413 -0.832 30 20 DBED C#CC1(O)CN(C(=O)c2ccc(S(=O)(=O)NCC=C)cc2)C1 890520337 YZSQOLFCCYZYIJ-UHFFFAOYSA-N 320.370 -0.029 30 20 DBED C#CC1(O)CN(C(=O)CNC(=O)N2CCc3ccccc3C2)C1 890523609 SZDGGNODICOUAN-UHFFFAOYSA-N 313.357 -0.039 30 20 DBED C=CCC[C@H](NC(=O)C1CN(S(C)(=O)=O)C1)C(=O)OCC 909272772 JFTLDNFIBWVJOO-NSHDSACASA-N 318.395 -0.108 30 20 DBED C#CCSCC(=O)N1CCS(=O)(=O)[C@H]2COCC[C@@H]21 909924553 ZGXXUXLYBRTXED-QWRGUYRKSA-N 303.405 -0.233 30 20 DBED CCn1cc(C(=O)NC[C@H]2CN(C(=O)[C@@H](C)C#N)CCO2)nn1 944750501 IQYZTEPGKQVFGL-QWRGUYRKSA-N 320.353 -0.585 30 20 DBED C#CCN1CC[C@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)C[C@H]1C 947776489 WQDPATFQURJQKQ-MNOVXSKESA-N 320.349 -0.991 30 20 DBED C#CCCN1CC[C@H](NC(=O)CN2CC(=O)NC2=O)C[C@@H]1C 947818709 APMAVZIDJBPEKQ-RYUDHWBXSA-N 306.366 -0.469 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@@H]2CCN2C(=O)C2(C(N)=O)CC2)c1 949293535 SVSRFWMQFYLHMP-JTQLQIEISA-N 315.333 -0.517 30 20 DBED C[C@H](NC(=O)c1cc(C#N)c[nH]1)[C@@H]1CCCCN1C(=O)C(N)=O 953649703 SFARWKCVXONSSU-CABZTGNLSA-N 317.349 -0.129 30 20 DBED CN(C(=O)c1c[nH]c(C#N)c1)C1CN(C(=O)C2(C(N)=O)CC2)C1 954108404 YZZNIOFWCFSGFG-UHFFFAOYSA-N 315.333 -0.565 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2cn[nH]c2)C1 954630838 LWTDTWIYYAREDD-AWEZNQCLSA-N 315.377 -0.210 30 20 DBED COCc1nn(C)cc1C(=O)NC[C@H]1CN(CC#N)C[C@@H]1O 958182842 HLHTZGHNHMTYRJ-GWCFXTLKSA-N 307.354 -0.887 30 20 DBED C=C(C)CN1C[C@@H](O)[C@@H](CNC(=O)c2cn(C)c(=O)cn2)C1 958271598 HEACEYQHNQDRJK-WCQYABFASA-N 306.366 -0.621 30 20 DBED CC#CCN1C[C@H](CNC(=O)c2cncc(OC)n2)[C@@H](O)C1 958463088 LQFOVWMBCNERPX-AAEUAGOBSA-N 304.350 -0.469 30 20 DBED Cc1c(C(=O)NC[C@H]2CN(CC#N)C[C@@H]2O)c(Cl)nn1C 958630852 LZAOXXGOTHOUFJ-UWVGGRQHSA-N 311.773 -0.072 30 20 DBED CN(C(=O)c1cocn1)[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 958739828 XYHTVPOCIFAWPU-STQMWFEESA-N 303.318 -0.268 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cn(C)cn1 960248337 SXGBZKCYODWLNT-KGYLQXTDSA-N 317.349 -0.368 30 20 DBED CC#CCN1C[C@@H]2C(NC(=O)Cc3ccc(C(N)=O)nc3)[C@H]2C1 960562061 WSHLQCIEPLUAJW-STQMWFEESA-N 312.373 -0.207 30 20 DBED C=C(C)CCN1C[C@@H]2C(NC(=O)[C@@H]3CC(=O)NC(=O)N3)[C@H]2C1 961915286 NAOXTTRSUJOZTF-DCAQKATOSA-N 306.366 -0.403 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)c1cnc(O)n1C 964288676 HSLHXJZSFLSXIT-NXEZZACHSA-N 321.337 -0.757 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1nccn1 969091513 KFMLKRFFPNMMGO-SDDRHHMPSA-N 302.338 -0.360 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2CN(C(=O)C(F)F)C[C@@H]2O)c1 970414258 JHVDSKKWIGYTJG-MNOVXSKESA-N 309.272 -0.371 30 20 DBED O=C(N[C@H]1[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]21)[C@H]1COCCO1 976218466 RQOITHHLNQILCK-COMQUAJESA-N 304.346 -0.612 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)c3coc(C(N)=O)c3)[C@H]2C1 976857044 BQUVIWXJEYDQHZ-QAHWYCSRSA-N 316.317 -0.275 30 20 DBED C#CCCN1C[C@H](NC(=O)c2cn(C)c(=O)nc2O)C(C)(C)C1 977589368 LKTCQSJNCBGRSM-LBPRGKRZSA-N 318.377 -0.051 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@@H]1CN(C)C(=O)[C@H]1CNC(=O)N1 978287520 FOFCUWWKRJVBDN-GHMZBOCLSA-N 308.382 -0.061 30 20 DBED CC#CCN1C[C@H]2C(CNC(=O)c3cn(C)c(=O)n3C)[C@@H]2C1 979092781 VARFOLSVVWVPIA-STQMWFEESA-N 302.378 -0.345 30 20 DBED C=CCN1C[C@@H]2CC[C@@H](NC(=O)CN3CC(=O)NC3=O)C[C@H]2C1 980192352 GOVPYHWOCBFSBD-RWMBFGLXSA-N 320.393 -0.059 30 20 DBED C#CCN1C[C@@]2(C)CN(C(=O)CN3CCOCC3=O)C[C@@]2(C)C1 982297257 BWWRQXXOBYGAJY-CALCHBBNSA-N 319.405 -0.351 30 20 DBED C=CCN[C@H]1CCN(C(=O)CN2CCS(=O)(=O)CC2)[C@H]1C 987513969 JXRJHOLAQZECET-STQMWFEESA-N 315.439 -0.518 30 20 DBED C[C@@H]1[C@@H](NC(=O)Cn2cncn2)CCN1C(=O)C#CC1CC1 990289785 OPRSFFKQBYEQJG-YPMHNXCESA-N 301.350 -0.203 30 20 DBED N#Cc1cc(C(=O)N2CC(NC(=O)C[C@@H]3COC(=O)C3)C2)c[nH]1 990832607 OKVOEPGTBLLMIS-VIFPVBQESA-N 316.317 -0.220 30 20 DBED C=CCn1cc(C(=O)NC2CN(C(=O)[C@@H]3CCO[C@H]3C)C2)nn1 991673034 IMMIXBJNHNZDBL-CMPLNLGQSA-N 319.365 -0.170 30 20 DBED C#CCN[C@H]1CCCN(C(=O)Cn2nc3ccccn3c2=O)C1 999836528 MBUVYAQQKBHZMW-ZDUSSCGKSA-N 313.361 -0.290 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)c2cnnn2C)C1 1000009457 PEBGVMNTAMLNGL-PWSUYJOCSA-N 305.338 -0.653 30 20 DBED C=CCCN1CCC(CNC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 1001897446 BSVSJEQGTGJEHG-LBPRGKRZSA-N 308.382 -0.011 30 20 DBED C#Cc1cncc(C(=O)N[C@H]2CN(C(=O)C(N)=O)CC[C@@H]2C)c1 1005257749 IGPCFPMHYBKZPY-GWCFXTLKSA-N 314.345 -0.485 30 20 DBED C#Cc1ccc(C(=O)N2C[C@H]3C(NC(=O)c4cnn[nH]4)[C@@H]3C2)nc1 1013380963 ZAYJMZMFXWHXQD-GHMZBOCLSA-N 322.328 -0.319 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2C(NC(=O)C(N)=O)[C@@H]2C1 1013688958 MEXUVXKSRYZWKM-DBIOUOCHSA-N 307.350 -0.974 30 20 DBED COc1ccc(C#N)cc1CN[C@H]1CCN(C(=O)C(N)=O)C1 1019313016 FCSJHOIZXHLJGM-LBPRGKRZSA-N 302.334 -0.257 30 20 DBED C=CCN[C@H]1C[C@H](NC(=O)Cn2nc3ccccn3c2=O)C1 1020449633 PGBCSQOLNWIQLT-HAQNSBGRSA-N 301.350 -0.081 30 20 DBED N#Cc1c[nH]c(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn[nH]c3)C2)c1 1023109168 CWJNVVPXSGNGCO-VXGBXAGGSA-N 314.305 -0.775 30 20 DBED CC[C@@H](F)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 1023463358 WDMONLONKQMGMT-IJLUTSLNSA-N 308.313 -0.064 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCCCN([C@@H](C)C(N)=O)C2)nn1 1034433394 WHTFJQPPELJJSZ-RYUDHWBXSA-N 320.397 -0.078 30 20 DBED CNC(=O)[C@H](C)N1CCO[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 1035338649 PSWDMORGAHGMIP-GXFFZTMASA-N 319.365 -0.549 30 20 DBED N#CCN1CCO[C@H](CNC(=O)[C@@H]2CCc3ncncc3C2)C1 1035391370 HPEZICGGDNDYKS-TZMCWYRMSA-N 315.377 -0.078 30 20 DBED N#CCN1CCO[C@@H](CNC(=O)c2ccnc3[nH]nnc23)C1 1035439546 GCKIJKWILRYFAT-VIFPVBQESA-N 301.310 -0.693 30 20 DBED CC(C)C(=O)N1CCC[C@H]1C(=O)NC[C@H]1CN(CC#N)CCO1 1035609554 LOQILCNQUMFDDH-KBPBESRZSA-N 322.409 -0.026 30 20 DBED C=C(C)CN[C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)C[C@@H]1C 1036214518 JIJVTYQPFAYMRA-NWDGAFQWSA-N 308.382 -0.059 30 20 DBED C#CCN1CC[C@H]1CNC(=O)c1ccc(=O)n(CCOC)c1 1038457907 HEJYKFKEJQVIBI-AWEZNQCLSA-N 303.362 -0.068 30 20 DBED Cc1nc[nH]c1C(=O)NC[C@@]1(O)CCN(C(=O)C#CC2CC2)C1 1040274383 KYQYAKGXVMJZPO-INIZCTEOSA-N 316.361 -0.175 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)c2cccnn2)C1 1040675542 GZSJAXDBCOTDHM-QMTHXVAHSA-N 303.322 -0.671 30 20 DBED CC(C)N(C)CC(=O)N1CC[C@@](O)(CNC(=O)[C@@H](C)C#N)C1 1040765682 KFFQZJLMTSFOAW-SWLSCSKDSA-N 310.398 -0.434 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)c2cncnc2)C1 1042709639 HGFYYWNJKCFYJY-UHFFFAOYSA-N 302.334 -0.561 30 20 DBED CO[C@@H]1CN(c2nccnc2C#N)C[C@H]1NC(=O)c1cocn1 1042777114 YXBGJOJPCSCOIG-ZYHUDNBSSA-N 314.305 -0.030 30 20 DBED CO[C@@H](C)C(=O)N1CCO[C@@H]2CN(c3cnc(C#N)cn3)C[C@@H]21 1043671411 VWEROLVYSDCFHQ-WCFLWFBJSA-N 317.349 -0.201 30 20 DBED CN1CC[C@H](C(=O)N[C@]2(C)CCN(CC#N)C2)S1(=O)=O 1046700267 ZMGZADYLXJXLAV-ZYHUDNBSSA-N 300.384 -0.876 30 20 DBED C=CCCN1CC[C@](C)(NC(=O)c2cn(CC(N)=O)nn2)C1 1046853846 GBLDKYBJLMEZOA-AWEZNQCLSA-N 306.370 -0.466 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2COCCO2)C1 1047307533 OLAUVZKDHBSHIM-SDDRHHMPSA-N 304.774 -0.342 30 20 DBED C=CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCNC2=O)C1 1049159973 YRYANKXBPQRXRZ-AGIUHOORSA-N 323.393 -0.491 30 20 DBED CC#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1nnc(O)nc1O 1049573853 XFOAFOLKSXELBA-QWRGUYRKSA-N 317.349 -0.015 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CO2)C1 1053877506 BFMMYQHADAHXES-PRFQISJJSA-N 303.362 -0.107 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)[C@@]3(C)CCN(C(C)=O)C3)CO2)C1 1053976481 GEWLBZOHRMVVBV-HOCLYGCPSA-N 319.405 -0.162 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)[C@@H]3CN(CC)CCO3)CO2)C1 1054014757 QSSSFNRTGLAGFT-CABCVRRESA-N 321.421 -0.310 30 20 DBED C[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1NCc1nnnn1C 1054576517 VPWGAKVXAVRSHM-CABZTGNLSA-N 314.353 -0.340 30 20 DBED C=C[C@](C)(O)CC(=O)N1C[C@H]2CN(C(=O)c3nc[nH]n3)C[C@H]2C1 1055313440 PRVGLZWADCCKDR-RWSFTLGLSA-N 319.365 -0.338 30 20 DBED CCN(C)CCC(=O)N[C@@]1(CO)CCCN(C(=O)[C@@H](C)C#N)C1 1056124360 VYLUMTNHORZCGT-BBRMVZONSA-N 324.425 -0.042 30 20 DBED Cn1nccc1C(=O)NC1[C@H]2CN(c3ccnc(C#N)n3)C[C@H]12 1056138766 LEZLJKGDSFUEBO-UWVGGRQHSA-N 309.333 -0.054 30 20 DBED N#Cc1nccnc1N1C[C@H]2[C@H](NC(=O)[C@@H]3[C@H]4COC[C@H]43)[C@H]2C1 1056365198 IWZMJUPSXRMTDG-OBWQANLTSA-N 311.345 -0.209 30 20 DBED CS(=O)(=O)CC(=O)N1CCCN(c2ccnc(C#N)n2)CC1 1057100716 RMKZBTAKMGESPZ-UHFFFAOYSA-N 323.378 -0.568 30 20 DBED C#CCO[C@H](C)C(=O)NCCN(CCO)C(=O)C[C@H](C)OC 1057165749 FIFTVNOJAXFYRX-QWHCGFSZSA-N 314.382 -0.613 30 20 DBED CCOCC(=O)NCCN(CCO)C(=O)c1ccc(C#N)[nH]1 1057367430 ZHZIFWXYHWQSHZ-UHFFFAOYSA-N 308.338 -0.526 30 20 DBED C=C[C@@](C)(CC)C(=O)NCCN(CCO)C(=O)CC(=O)NC 1057411869 RFTPIYIOQWPNIO-HNNXBMFYSA-N 313.398 -0.338 30 20 DBED C=C[C@@](C)(CC)C(=O)NCCN(CCO)C(=O)c1ncn(C)n1 1057497832 DTIFYLSRXWCLSH-HNNXBMFYSA-N 323.397 -0.032 30 20 DBED C#CCOCCC(=O)N(CCO)CCNC(=O)[C@H](CC)OC 1057581100 LPUDXNMKBWRJAS-ZDUSSCGKSA-N 314.382 -0.612 30 20 DBED C#CCOCCC(=O)NCCN(CCO)C(=O)c1cncn1C 1058030746 NILXOPNIOBVMDG-UHFFFAOYSA-N 322.365 -0.989 30 20 DBED C=C[C@@H](CC)CC(=O)NCCN(CCO)C(=O)c1cnn[nH]1 1058059935 FDLPLKKOVWCPLL-NSHDSACASA-N 309.370 -0.042 30 20 DBED N#Cc1ccc(N2CCC[C@@H](NC(=O)[C@@H]3COC(=O)N3)C2)nn1 1058152373 RFCHHEQMYBKCOB-MNOVXSKESA-N 316.321 -0.458 30 20 DBED N#Cc1nccc(N2CC[C@@H](NC(=O)C[C@H]3COC(=O)C3)C2)n1 1058326285 RIAWOAKYEOVTQN-GHMZBOCLSA-N 315.333 -0.004 30 20 DBED C=C[C@H](C)[C@H](C)C(=O)N(CCO)CCNC(=O)Cn1ncnn1 1058434941 APBVERALISIQCL-RYUDHWBXSA-N 324.385 -0.932 30 20 DBED N#Cc1cncc(N[C@H]2CCN(C(=O)[C@H]3CCNC3=O)C2)n1 1059019899 LTFWSJSVJRSTJX-ONGXEEELSA-N 300.322 -0.503 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](CCNC(=O)[C@@H](C)OC)C1 1059502520 SRQPEFUXMCHAEE-OLZOCXBDSA-N 323.393 -0.484 30 20 DBED N#Cc1cccnc1N1CCC[C@H]1CNC(=O)[C@H]1CNC(=O)N1 1061440092 BCAKSANRGDVDPZ-NWDGAFQWSA-N 314.349 -0.280 30 20 DBED C#CCCCC(=O)N1CCOC[C@H]1CNC(=O)CC(=O)N(C)C 1061597082 NOKLNKZTSKLNIJ-CYBMUJFWSA-N 323.393 -0.388 30 20 DBED C=CCCC(=O)N1CCOC[C@@H]1CNC(=O)CC(=O)N(C)C 1061597209 QAZIKALCJSHMQK-LBPRGKRZSA-N 311.382 -0.226 30 20 DBED N#Cc1cncc(N2[C@H]3CC[C@H]2CN(C(=O)c2nc[nH]n2)C3)n1 1061981137 XFCFOIRIGDDBTF-QWRGUYRKSA-N 310.321 -0.040 30 20 DBED C=C[C@](C)(O)CC(=O)NC1(CNC(=O)Cc2nc[nH]n2)CCC1 1064605220 NIZXUXDNZPINAS-AWEZNQCLSA-N 321.381 -0.171 30 20 DBED N#Cc1cnc(N2CC[C@H]3CCN(C(=O)CC(N)=O)C[C@@H]32)cn1 1064673468 POIBQYSZKXXMLA-PWSUYJOCSA-N 314.349 -0.349 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H]1CN(C(=O)C(F)F)CCO1 1064722817 NXVDNLRKGMETCT-ZJUUUORDSA-N 304.293 -0.367 30 20 DBED N#CCSCC(=O)N1CCO[C@H](CNC(=O)c2cocn2)C1 1064881086 NSIKHLSWZBMBGR-SNVBAGLBSA-N 324.362 -0.111 30 20 DBED C=CCOCC(=O)N1CCO[C@@H](CNC(=O)[C@@]23COC[C@@H]2C3)C1 1064974354 RIBJWDJQNQMRIW-XEZPLFJOSA-N 324.377 -0.431 30 20 DBED C[C@]1(CN=c2cc[nH]c(C#N)n2)CCN(C(=O)c2cnn[nH]2)C1 1065510141 LPXVIGNICZXDPD-CQSZACIVSA-N 312.337 -0.147 30 20 DBED COCCOCC(=O)NC[C@@H]1CN(C(=O)[C@@H](C)C#N)CCO1 1065556313 GLYYHKMWUJEVAR-NWDGAFQWSA-N 313.354 -0.847 30 20 DBED Cc1nnc(CC(=O)NC[C@@H]2CN(C(=O)[C@@H](C)C#N)CCO2)o1 1065556925 LLHFBPMOWACMAF-GXSJLCMTSA-N 321.337 -0.576 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CCCN(C(=O)Cn2cnnn2)CC1 1066150214 BCMURBROCDIMFM-CYBMUJFWSA-N 316.365 -0.416 30 20 DBED CC(C)C#CC(=O)N1CCC[C@H](NC(=O)Cn2ncnn2)CC1 1066203128 WWMPVDSDNGJJGY-ZDUSSCGKSA-N 318.381 -0.170 30 20 DBED N#Cc1ccc(NC[C@@H]2CN(C(=O)c3cnn[nH]3)CCO2)nn1 1066691456 SVZPBOPGNFFHEX-SNVBAGLBSA-N 314.309 -0.581 30 20 DBED C[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@@H]1Nc1nccnc1C#N 1067176972 SIVWDBBRQWCHSV-SCZZXKLOSA-N 313.325 -0.556 30 20 DBED C[C@H](C#N)C(=O)N(C)CCCN(C)C(=O)[C@H]1CCCNC1=O 1067641988 VTMBILQMERYRCD-NEPJUHHUSA-N 308.382 -0.021 30 20 DBED C=CCCC(=O)N1CCOC2(C1)CN(C(=O)CC(=O)NC)C2 1068346472 QZTDJVPQNBKPCT-UHFFFAOYSA-N 309.366 -0.472 30 20 DBED C[C@H](C#N)C(=O)N1CCOC2(CN(C(=O)CCN(C)C)C2)C1 1068451443 MCTFVPDHOKIQAB-GFCCVEGCSA-N 308.382 -0.462 30 20 DBED CC1(C)CN(C(=O)c2nc[nH]n2)C[C@H]1N=c1cc[nH]c(C#N)n1 1069581999 UFJWPVBWHVDTCH-SECBINFHSA-N 312.337 -0.149 30 20 DBED N#CCN1CCn2ncc(CNC(=O)[C@@H]3COCCO3)c2C1 1069853161 CQKDEDNOQCINKD-ZDUSSCGKSA-N 305.338 -0.746 30 20 DBED C#CCN1CCn2ncc(CNC(=O)[C@@H]3CCNC(=O)C3)c2C1 1069856811 MSUPMLQIGRCXEF-GFCCVEGCSA-N 315.377 -0.526 30 20 DBED CCNC(=O)CC(=O)NC1(CNC(=O)[C@H](C)C#N)CCOCC1 1070082586 HSDBVIWITUCMTN-LLVKDONJSA-N 324.381 -0.546 30 20 DBED C=CCN[C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1c1cncn1C 1070618813 YBUFXWLYBXUQGP-VXGBXAGGSA-N 316.369 -0.823 30 20 DBED N#Cc1cc(C(=O)N2CCC[C@@H](NC(=O)CNC(N)=O)C2)c[nH]1 1070633853 YVADDWMNRZWMEL-SNVBAGLBSA-N 318.337 -0.725 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)[C@@H]4COCCN4C)C[C@@]3(C1)O2 1070789590 DEDDGYMOXNLXJH-QSJFSLAZSA-N 319.405 -0.748 30 20 DBED Cn1nncc1C(=O)N1C[C@H]2C[C@@H]3CN(CC#N)C[C@]2(C1)O3 1070794800 BTKGUJLPXOQZFI-JTNHKYCSSA-N 302.338 -0.746 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CCCN(C(=O)c2cc(=O)n(C)cn2)C1 1070923142 PCHFROQNCVODNK-WDEREUQCSA-N 317.349 -0.339 30 20 DBED N#CCN1CCNC(=O)CCN(C(=O)c2cccnn2)CC1 1071010775 XOAJJUSXVUWDRD-UHFFFAOYSA-N 302.338 -0.736 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CCC(=O)N2)C1 1071046024 MOTNJNCFIHLPHY-UPJWGTAASA-N 321.377 -0.590 30 20 DBED C#CCCCCC(=O)N1C[C@H](C)[C@@H](NC(=O)Cn2cnnn2)C1 1071923002 ZYSYHIBIBLQFCP-STQMWFEESA-N 318.381 -0.170 30 20 DBED C#CCCCC(=O)N[C@@H]1CCN(C(=O)Cn2ncnn2)C[C@@H]1C 1073915469 AYYSHMRUVWRTAR-QWHCGFSZSA-N 318.381 -0.170 30 20 DBED C[C@@H]1CN(C(=O)CNC(N)=O)CC[C@@H]1NC(=O)C#CC1CC1 1073946379 QCYWKKAJSDZVAQ-PWSUYJOCSA-N 306.366 -0.579 30 20 DBED C[C@H](C#N)C(=O)N1CCC(O)(CNC(=O)c2ncn(C)n2)CC1 1074705574 VALBHOJUGBPDFJ-SNVBAGLBSA-N 320.353 -0.942 30 20 DBED C[C@@H](CCNC(=O)CSCC#N)NC(=O)[C@@H]1COC(=O)N1 1075675633 HNSPJSSCYKVFBY-IUCAKERBSA-N 314.367 -0.637 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)C[C@H](C)OC 1075874009 HIEKVNINUPLXEF-RYUDHWBXSA-N 311.382 -0.438 30 20 DBED C#CCO[C@H](C)C(=O)NCC[C@H](C)NC(=O)C1CN(C(C)=O)C1 1076510954 YMVJMIJLLSXYKY-NWDGAFQWSA-N 323.393 -0.486 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)C1 1077046191 GMMLDNQTBIKNNQ-BFHYXJOUSA-N 320.393 -0.680 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)Cc2c(C)nn(C)c2Cl)C1 1077308789 LQCKWAJGUNKEQD-VXGBXAGGSA-N 310.785 -0.281 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)c1ccnnc1 1078713559 HVWCPUIHSWLARY-NSHDSACASA-N 317.349 -0.759 30 20 DBED C=CCCN1CCC2(CC1)CN(C(=O)C(N)=O)[C@@H]1COC[C@@H]12 1079258739 LSVGZGAOXQKMHJ-QWHCGFSZSA-N 307.394 -0.013 30 20 DBED CC(=O)NCC(=O)NC1(CO)CCN(C(=O)C#CC(C)C)CC1 1080685246 BHTHVKONQOWYNT-UHFFFAOYSA-N 323.393 -0.748 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CO)(NC(=O)c2cncn2C)CC1 1080907412 QBPLHJPMHPYRCY-NSHDSACASA-N 319.365 -0.337 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)c2nccnc2N)C[C@H]1O 1081332545 HKSOLTYUFSXOMV-GHMZBOCLSA-N 319.365 -0.426 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cnc(C)[nH]2)C1 1081345820 AMDKHROJSNEKIQ-WCQYABFASA-N 322.365 -0.530 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(C(=O)Cn2cccn2)C[C@H]1O 1081469695 ZZGOTEUIAIUJTK-UONOGXRCSA-N 316.361 -0.768 30 20 DBED C#CCCN1C[C@@H](NC(=O)CN2CCCNC2=O)[C@H](OC)C1 1081891960 CVXBEXFGUAAJIX-CHWSQXEVSA-N 308.382 -0.760 30 20 DBED CC#CCN1C[C@@H](NC(=O)[C@@H]2CCCN(C(N)=O)C2)[C@H](OC)C1 1081915710 SGCIBJNCDBITRJ-MGPQQGTHSA-N 322.409 -0.384 30 20 DBED CC#CCN1C[C@@H](NC(=O)[C@H]2C[C@H]2C(=O)N(C)C)[C@H](OC)C1 1082139497 YNZXFMXUEQMHJP-REWJHTLYSA-N 307.394 -0.451 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cnc2cccnn12 1083216981 AESNOOYHNIWQJH-UONOGXRCSA-N 311.345 -0.112 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1coc(COC)n1 1083236676 PQCUWVCPNCBODP-QWHCGFSZSA-N 305.334 -0.021 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCc3cnn(C)c3C2)C1 1083729015 ABAABUFSTTVUFO-BJJXKVORSA-N 316.405 -0.290 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)c2cnc3c(cnn3C)c2)C1 1083889782 AWNFGVNCUBWVHV-KGLIPLIRSA-N 313.361 -0.234 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2cnn(-c3ccncc3)c2)C1 1083896164 YHEJJOCDQCQSMC-CABCVRRESA-N 311.345 -0.325 30 20 DBED CN1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCC#N)S1(=O)=O 1085359785 ALYXOYNLIZZJFY-IJLUTSLNSA-N 314.411 -0.439 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2C[C@@H](N[C@@H](CC)C(N)=O)C2)nn1 1086219905 YERHRPQUDPGUHU-TUAOUCFPSA-N 320.397 -0.174 30 20 DBED CN1CCC[C@@H]1C(=O)N1C[C@@H](NCC#N)[C@H](c2cnn(C)c2)C1 1086971041 UUOKAFOUPPVLEZ-RRFJBIMHSA-N 316.409 -0.078 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2c3c(nn2C)CCC3)[C@H](O)C1 1090724320 IKCDZCZLKVHCAY-ZIAGYGMSSA-N 302.378 -0.293 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2ccc(N(C)C)nn2)[C@@H](O)C1 1090733935 IJGGBZIUAQOJHT-JSGCOSHPSA-N 317.393 -0.269 30 20 DBED CC(C)(O)CC(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@@H]1O 1091099351 KJDXEPGGSNHSRO-MNOVXSKESA-N 305.338 -0.825 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CN(CCO)C[C@@]2(C)C1 1091749838 QPJBCUKRLPDDAL-VYDXJSESSA-N 305.422 -0.143 30 20 DBED COCCC(=O)N[C@H]1CCN(c2nc(C)cc(C#N)n2)C[C@H]1O 1092132555 VETZTGSEPSJBQB-QWHCGFSZSA-N 319.365 -0.251 30 20 DBED CCCC(=O)NCC(=O)N1CCN(c2ccc(C#N)nn2)CC1 1093142055 AHOZNNHUVOJOBP-UHFFFAOYSA-N 316.365 -0.087 30 20 DBED C#CCN1CC(OC2CCN(C(=O)C[C@@H]3CCNC3=O)CC2)C1 1093542276 RQAHJZJMAGHJDJ-ZDUSSCGKSA-N 319.405 -0.162 30 20 DBED N#Cc1cncc(NCCNC(=O)[C@@H]2CCCCS2(=O)=O)n1 1093922895 PIDFRIQPHHXGGI-NSHDSACASA-N 323.378 -0.156 30 20 DBED N#Cc1cccnc1NCCCNC(=O)C1CS(=O)(=O)C1 1094610864 MAUVOSJZWDKMNZ-UHFFFAOYSA-N 308.363 -0.084 30 20 DBED C#CCN1CCN(C(=O)c2oncc2C)[C@@H]2CS(=O)(=O)C[C@@H]21 1094671138 BXAKBMLIHLUDCK-NWDGAFQWSA-N 323.374 -0.460 30 20 DBED C=CCn1cc(C(=O)N2C[C@H]3C[C@H](NCC(N)=O)C[C@H]2C3)nn1 1095012107 YNOUEBIZIXZYJN-SDDRHHMPSA-N 318.381 -0.468 30 20 DBED C[C@H](NC(N)=O)C(=O)N1CC[C@@H](N(C)c2cncc(C#N)n2)C1 1095113424 QMFZSVJNGWWFOM-GXSJLCMTSA-N 317.353 -0.558 30 20 DBED CNC(=O)NCC(=O)N1CC[C@@H](N(C)c2nccnc2C#N)C1 1095157783 VXJLMUXSKWZYDY-SNVBAGLBSA-N 317.353 -0.686 30 20 DBED N#Cc1cncc(N[C@@H](CNC(=O)[C@@H]2COC(=O)N2)C2CC2)n1 1096662443 NSHKYEQNLOYEED-QWRGUYRKSA-N 316.321 -0.237 30 20 DBED CC(=O)N(C)CC(=O)N[C@H]1C[C@H](N=c2cc[nH]cc2C#N)C1 1096992984 MJNACXVJESCLIN-JOCQHMNTSA-N 301.350 -0.087 30 20 DBED CNC(=O)NCC(=O)N[C@H]1C[C@H](Nc2ccc(C#N)nn2)C1 1097109732 GLIPXCZGUPSKSI-MGCOHNPYSA-N 303.326 -0.664 30 20 DBED CN(C)CCOCC(=O)N[C@H]1C[C@@H](Nc2nccnc2C#N)C1 1097198907 ZPGWVILKCMJHDB-TXEJJXNPSA-N 318.381 -0.014 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CN(C)CCO1)Nc1cnc(C#N)cn1 1097767760 BGPHYHKSTIUZDM-JQWIXIFHSA-N 304.354 -0.405 30 20 DBED C[C@H](CNC(=O)C[C@@H](C)NC(N)=O)N=c1cc[nH]cc1C#N 1098076722 XBCSRXIVCVTLIV-NXEZZACHSA-N 304.354 -0.261 30 20 DBED C[C@@H](CNC(=O)[C@H]1CC(=O)N(C)C1)Nc1cnc(C#N)cn1 1098346294 NNQVTBBEKSBETB-UWVGGRQHSA-N 302.338 -0.257 30 20 DBED C[C@@H](CNC(=O)CCS(C)(=O)=O)Nc1cnc(C#N)cn1 1098393193 ROQZSHXHLRVIEX-VIFPVBQESA-N 311.367 -0.300 30 20 DBED C#CCN(CCO)C1CCN(C(=O)[C@@H]2CCN(C)C2=O)CC1 1098456654 LUDZCVCPSATWGA-CQSZACIVSA-N 307.394 -0.617 30 20 DBED N#CCNCc1cn([C@@H]2CCN(C(=O)Cc3cnoc3)C2)nn1 1098703725 ZSLHGUANDIPJKV-CYBMUJFWSA-N 315.337 -0.105 30 20 DBED N#CCNCc1cn([C@@H]2CCN(C(=O)CN3CCCC3)C2)nn1 1098780088 QNODGLUBIFTWJS-CQSZACIVSA-N 317.397 -0.240 30 20 DBED C#CCCN1C[C@@H](NC(=O)CC(N)=O)CC2(CCOCC2)C1 1099571360 GCOBUSAQGDYHEB-ZDUSSCGKSA-N 307.394 -0.128 30 20 DBED C=CCCC(=O)N[C@H]1CCN(CCNS(C)(=O)=O)C[C@@H]1O 1099723083 DGNIIVUIRZSWOH-RYUDHWBXSA-N 319.427 -0.947 30 20 DBED N#CCNC(=O)CN1CC[C@H](NC(=O)/C=C\C2CC2)[C@@H](O)C1 1099768584 GFSXRVCOUDWGDF-LDIIPZEWSA-N 306.366 -0.856 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2cc(OC)no2)[C@H](O)C1 1099782957 JBBDUJRMDOCCCF-VXGBXAGGSA-N 323.349 -0.502 30 20 DBED N#CCNC(=O)CN1CC[C@@H](NC(=O)C2(C3CC3)CC2)[C@@H](O)C1 1099885663 QHVQTADQVLMJNW-OLZOCXBDSA-N 320.393 -0.632 30 20 DBED Cc1cc(C#N)nc(N(C)CCNC(=O)C[C@@H]2CCNC2=O)n1 1100193508 IXWFJWWHWMFHBM-NSHDSACASA-N 316.365 -0.265 30 20 DBED C#CCNC(=O)[C@H](C)NC1CC(CNC(=O)c2cn(C)nn2)C1 1100298100 XLSPKRBUFNGJLO-UNXYVOJBSA-N 318.381 -0.949 30 20 DBED COC[C@H](OC)C(=O)NCCN(C)c1nc(C)cc(C#N)n1 1100314502 SCIHWVHCAYGWIH-LBPRGKRZSA-N 307.354 -0.130 30 20 DBED C=CCn1cc(C(=O)NCCN(C)c2ccc(C#N)nn2)nn1 1100360418 NOOZGLDXPLAOCH-UHFFFAOYSA-N 312.337 -0.008 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CC(CNC(=O)c2c[nH]nc2C)C1 1100554702 DQUHVVUDTMZJOY-PNESKVBLSA-N 317.393 -0.046 30 20 DBED COCCCNC(=O)CCC(=O)NCC1CC(NCC#N)C1 1100848175 AJOFFUKLCGTVCC-UHFFFAOYSA-N 310.398 -0.073 30 20 DBED CC#CCNC1CC(CNC(=O)[C@@H]2CN(C(C)=O)CCO2)C1 1100928536 NRKONJRDZTYQLY-NRXISQOPSA-N 307.394 -0.259 30 20 DBED CN(C)C(=O)CC(=O)NCCN(c1cnc(C#N)cn1)C1CC1 1101456865 QSEYFWCEUKYEKI-UHFFFAOYSA-N 316.365 -0.088 30 20 DBED CCN1CCO[C@@H](C(=O)N(C)CCNc2cncc(C#N)n2)C1 1101637899 GPCGPDKJBJIKSV-CYBMUJFWSA-N 318.381 -0.061 30 20 DBED C[C@@H](CNc1nccnc1C#N)N(C)C(=O)CCn1cnnn1 1104647636 KRAIWKWXUQYTJO-JTQLQIEISA-N 315.341 -0.316 30 20 DBED CC#CCNCc1cn(C2CN(C(=O)CC(=O)N(C)C)C2)nn1 1105340954 ZGGKBHVNSORGED-UHFFFAOYSA-N 318.381 -0.747 30 20 DBED Cc1n[nH]c(C)c1C(=O)N1CC(n2cc(CNCC#N)nn2)C1 1105344019 HUHJDMNIMYHWBY-UHFFFAOYSA-N 314.353 -0.072 30 20 DBED CN(CCN(C)c1ccc(C#N)nn1)C(=O)c1cc(=O)n(C)o1 1105381710 MBHGNKVNDURONF-UHFFFAOYSA-N 316.321 -0.152 30 20 DBED Cc1cc(=NC[C@@H](O)CNC(=O)c2cnsn2)c(C#N)c[nH]1 1105722854 ADIPASWIXWVTPY-SNVBAGLBSA-N 318.362 -0.262 30 20 DBED CCNC(=O)CC(=O)NC[C@@H](O)CNc1ccc(C#N)c(C)n1 1105795187 VKYJVETYGONUPD-LBPRGKRZSA-N 319.365 -0.323 30 20 DBED Cn1ccc(CC(=O)NC[C@H](O)CNc2ccc(C#N)nc2)n1 1105818949 RSIWWDNTQDRWDZ-CQSZACIVSA-N 314.349 -0.182 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)CN2CCCC2)nn1 1105854929 BYXYFGKXSQCSTB-LBPRGKRZSA-N 304.354 -0.667 30 20 DBED N#Cc1nccnc1NC[C@@H](O)CNC(=O)c1cncnc1O 1106006628 AVYHPFIDTYNHQJ-MRVPVSSYSA-N 315.293 -0.953 30 20 DBED C[C@@H]1CCN(CC(=O)NC[C@@H](O)CNc2nccnc2C#N)C1 1106105677 WTGKGQOZTYXPMR-VXGBXAGGSA-N 318.381 -0.421 30 20 DBED Cc1ccn(CC(=O)NC[C@H](O)CN=c2cc[nH]cc2C#N)n1 1106110491 SHUFMQBSVHFQEO-CYBMUJFWSA-N 314.349 -0.531 30 20 DBED C#CCCN1CC(n2cc(CNC(=O)[C@@H](COC)OC)nn2)C1 1107207731 DAFVNIRGSIUTPQ-CQSZACIVSA-N 321.381 -0.564 30 20 DBED CN1CC[C@@H](C(=O)NC/C=C/CN=c2cc[nH]c(C#N)n2)C1=O 1107458928 BAQSHHDFIVOTGU-VUDBWIFFSA-N 314.349 -0.667 30 20 DBED Cc1ccc(C#N)c(NC[C@@H](C)NC(=O)Cn2cnnn2)n1 1107635950 XABJGQVIQAGSKJ-SNVBAGLBSA-N 300.326 -0.135 30 20 DBED C#CCCN1CCO[C@@](C)(CNC(=O)[C@H]2CCC(=O)NC2)C1 1108044326 QVFGKEZMJUWSIM-BBRMVZONSA-N 307.394 -0.257 30 20 DBED COC[C@]1(C(=O)NC[C@@]2(C)CN(CC#N)CCO2)CCOC1 1108100675 YYAVLDFTEKDKCA-LSDHHAIUSA-N 311.382 -0.230 30 20 DBED C[C@@H](CN(C)c1ccc(C#N)nn1)NC(=O)CN1CCOCC1 1108904177 UGGLOVIVIXVQCV-LBPRGKRZSA-N 318.381 -0.379 30 20 DBED N#Cc1nccnc1N1C[C@H]2C[C@H]1[C@@H]2NC(=O)CCc1nc[nH]n1 1109693533 WUDVBXGKALZKTR-OLUVUFQESA-N 324.348 -0.208 30 20 DBED CN1C[C@@H](C(=O)NCC2(Nc3ccc(C#N)nn3)CC2)CC1=O 1110380862 KBFWNNHAHNWIOW-JTQLQIEISA-N 314.349 -0.113 30 20 DBED C[C@H](CC(N)=O)C(=O)N[C@]1(C)CCN(c2cncc(C#N)n2)C1 1110802727 UFUDDOXMNQNBRG-MEBBXXQBSA-N 316.365 -0.055 30 20 DBED N#Cc1ccc(NCCN(CCO)C(=O)[C@H]2COC(=O)N2)cn1 1111460334 WBUHHCKPKAOTQE-GFCCVEGCSA-N 319.321 -0.706 30 20 DBED C#CCNC(=O)CC(=O)N1CCN(Cc2coc(C)n2)CC1 1112777823 ONDRBHUTMWXXOM-UHFFFAOYSA-N 304.350 -0.233 30 20 DBED C#CCNC(=O)CC(=O)N1CCN(C[C@H]2C[C@H]3CC[C@H]2O3)CC1 1112777959 UOROBPQMMHXURJ-RBSFLKMASA-N 319.405 -0.162 30 20 DBED C[C@H](NC(=O)C1CS(=O)(=O)C1)[C@H](C)Nc1cnc(C#N)cn1 1113183280 OCCJVQUIODXTKF-IUCAKERBSA-N 323.378 -0.302 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)c2[nH]cnc2CC)CC1 1113592896 YFOACCUQTFJDNX-LBPRGKRZSA-N 317.393 -0.132 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCN(C[C@H](O)Cn2cccn2)CC1 1113714576 HDJVMDJDWAXJQZ-GJZGRUSLSA-N 322.409 -0.021 30 20 DBED C[C@@H](CNC(=O)[C@@]1(C)CNC(=O)C1)N(C)c1ccnc(C#N)n1 1113783493 HVMUSLOOZQPFPS-ZUZCIYMTSA-N 316.365 -0.185 30 20 DBED CC(=O)NCC(=O)N1C[C@H]2CC[C@H]1CN2c1ccnc(C#N)n1 1114379297 ISCBDWOFXDZQSD-NEPJUHHUSA-N 314.349 -0.336 30 20 DBED C=CCOCCN1C[C@H]2[C@H](NC(=O)c3ccc(=O)n(C)n3)[C@H]2C1 1115207567 UEXKMLRNWDGODT-JYAVWHMHSA-N 318.377 -0.357 30 20 DBED Cc1cc(C#N)nc(NC[C@H](C2CC2)N(C)C(=O)C(N)=O)n1 1115566483 QIKKMTGBFJSNIO-LLVKDONJSA-N 302.338 -0.209 30 20 DBED C#CCOCCNC(=O)C(=O)N1C[C@H](C)OC2(CCOCC2)C1 1117391671 RJDXECGBRQPIHX-ZDUSSCGKSA-N 324.377 -0.451 30 20 DBED CC(C)(CNC(=O)C(=O)Nc1ccc(C#N)cn1)OCCO 1117713424 QNUKEYJGCMIHOQ-UHFFFAOYSA-N 306.322 -0.205 30 20 DBED C[C@@H](CN(C)C(=O)[C@H]1C[C@H]1C(N)=O)Nc1cncc(C#N)n1 1120705597 DHLYWXHUUCTRBH-GDPRMGEGSA-N 302.338 -0.272 30 20 DBED Cc1ccc(C(=O)NC[C@H](CO)N=c2cc[nH]c(C#N)n2)n1C 1121049476 FDJVNMBZCIJBMK-LLVKDONJSA-N 314.349 -0.380 30 20 DBED CC(=O)N[C@H](C)C(=O)NC[C@H](CO)N=c1cc(C)[nH]cc1C#N 1121177015 CQZVKIZWLKLFQA-ZWNOBZJWSA-N 319.365 -0.903 30 20 DBED COCc1nc(C)cc(N[C@@H](CO)CNC(=O)[C@H](C)C#N)n1 1121204503 HRTQHYIWENJHPN-MWLCHTKSSA-N 307.354 -0.020 30 20 DBED N#Cc1cccnc1N[C@H](CO)CNC(=O)CCc1nc[nH]n1 1121412271 MZNCOSOJJNJQCH-NSHDSACASA-N 315.337 -0.407 30 20 DBED Cc1nnc(CC(=O)NC[C@@H](CO)Nc2nccnc2C#N)o1 1121431863 FJLIMRUOQXXZEA-VIFPVBQESA-N 317.309 -0.829 30 20 DBED C=CCn1c(C[C@@H](C)O)nnc1N1CCC(CO)(CO)CC1 1121631214 WHLFZEVMOXLNFZ-GFCCVEGCSA-N 310.398 -0.041 30 20 DBED CO[C@@H](C(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1)C(C)C 1122445782 SVKGDKBURCIRJG-GXFFZTMASA-N 307.354 -0.670 30 20 DBED COC[C@@H](OC)C(=O)NC[C@@H](CO)Nc1nc(C)cc(C#N)n1 1122464789 CCHCLONUUNVMFE-NWDGAFQWSA-N 323.353 -0.793 30 20 DBED CN(CC(=O)NC[C@H](CO)Nc1cncc(C#N)n1)C1CCC1 1122741536 ZAQDCOTUHZHDEQ-GFCCVEGCSA-N 318.381 -0.278 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)c1cccn1C 1123647882 LDMTVKDRPFSOFY-UHFFFAOYSA-N 307.354 -0.644 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)c1cc[nH]n1 1124047313 UASSQITXIVYFNF-SECBINFHSA-N 301.310 -0.962 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]cc1C#N)C(=O)c1ccon1 1124090572 JKAPJLMQGYIRCO-NSHDSACASA-N 301.306 -0.092 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)/C=C\C1CC1 1124219232 JPDMABFFDGSNMR-QMAVJUDZSA-N 301.350 -0.032 30 20 DBED C#CCNC(=O)CC(=O)NCCN[C@H](C)c1n[nH]c(CC)n1 1125998979 WOWMOXYMLLOAIO-SNVBAGLBSA-N 306.370 -0.727 30 20 DBED C#CCOCCC(=O)NCCNC[C@H](O)CO[C@@H](C)COC 1127032114 TXCAZYUFQYBOBS-KBPBESRZSA-N 316.398 -0.856 30 20 DBED C#CCCN1CCn2ncc(CNC(=O)CNC(=O)CC)c2C1 1128263868 GYECAQHMLKVMIV-UHFFFAOYSA-N 317.393 -0.136 30 20 DBED C#CCN1CCn2ncc(CNC(=O)[C@@H](C)NC(=O)CC)c2C1 1128363195 SEXMLFMPZCNUMU-GFCCVEGCSA-N 317.393 -0.137 30 20 DBED C#CCN1CCn2ncc(CNC(=O)[C@H](COC)OC)c2C1 1128475696 FVQIHRWAGWCQSS-AWEZNQCLSA-N 306.366 -0.391 30 20 DBED C#CCCCCC(=O)N[C@@H]1CN(CC(N)=O)C[C@@H]1n1ccnn1 1128907826 IGFZYTTZGNYAOZ-OLZOCXBDSA-N 318.381 -0.702 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)C2(F)CCOCC2)C1=O 1128981200 NSNDTXQIDLRPLH-LBPRGKRZSA-N 313.373 -0.002 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCNCC(=O)N(CC)C1CC1 1129791164 VXLHDLGLPNYPQH-HNNXBMFYSA-N 320.437 -0.199 30 20 DBED C#CCCN1CC[C@@]2(C1)CN(C(=O)CCNC(N)=O)C[C@H](C)O2 1131697812 RIDYGSUKSLUAHX-XJKSGUPXSA-N 322.409 -0.240 30 20 DBED C[C@@H]1CC[C@H](NC(=O)c2ccncn2)CN1CC(=O)NCC#N 1132372626 RWMKSUJLJPAMSP-NEPJUHHUSA-N 316.365 -0.301 30 20 DBED C#CCCNC[C@H]1CN(C(=O)Cn2ncn(C)c2=O)CC[C@@H]1C 1132934000 WPWYRESKFKGPDF-KBPBESRZSA-N 319.409 -0.321 30 20 DBED C#CCNC[C@@H]1CN(C(=O)CCCS(N)(=O)=O)CC[C@@H]1C 1133087623 RHFWJOKHUCKUAL-QWHCGFSZSA-N 315.439 -0.238 30 20 DBED C=CCC[C@H](C)NCCNC(=O)c1c[nH]nc1S(N)(=O)=O 1133617930 DDGUCNISBDYFRH-VIFPVBQESA-N 315.399 -0.269 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)Cc1n[nH]c(C)n1 1134355340 FICIQHJMHUGSLB-WDEREUQCSA-N 320.397 -0.722 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)C1=COCCC1)C2 1147145456 CGECCJAIIAZXLG-UHFFFAOYSA-N 317.389 -0.036 30 20 DBED C[C@]1(C(=O)N2CC3(CCN(CC(=O)NCC#N)C3)C2)CCOC1 1148480939 LUMMNVHXDPDFQO-HNNXBMFYSA-N 320.393 -0.413 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)CCCN(C)C(C)=O 1149247978 NPVZCMQFLUSBHZ-GFCCVEGCSA-N 312.414 -0.359 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)[C@@H](CCC)NC(N)=O)C1 1150654548 XIGZRWKGADMCOA-QWHCGFSZSA-N 310.398 -0.336 30 20 DBED C#CCN(CC)[C@H](C)CNC(=O)[C@H](CCC)S(N)(=O)=O 1154468721 AVMXIQKIXWUGTJ-NEPJUHHUSA-N 303.428 -0.097 30 20 DBED C#CCO[C@H](C)C(=O)NCCCNCCNC(=O)NC(C)C 1157874914 YUPSKFGSJLGZOA-CYBMUJFWSA-N 312.414 -0.172 30 20 DBED N#CCNC(=O)CNCCCNC(=O)[C@@H]1C[C@H]2CCCCN2C1 1158039752 UBVZBRAYQONALR-ZIAGYGMSSA-N 321.425 -0.404 30 20 DBED CC(C)c1n[nH]cc1C(=O)NCCCNCC(=O)NCC#N 1161667206 IBYRBAFHENCXGW-UHFFFAOYSA-N 306.370 -0.118 30 20 DBED C=CCN1CC[C@H](NCC2(CCNC(=O)CC(N)=O)CC2)C1=O 1163917384 CCIMGFMRCPLQRP-LBPRGKRZSA-N 322.409 -0.475 30 20 DBED Cc1nn[nH]c1C(=O)N[C@@H](C)CCCCNCC(=O)NCC#N 1174614463 GNWZKMYGZNOEEK-JTQLQIEISA-N 321.385 -0.369 30 20 DBED N#CCNC(=O)CN[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 1182121207 JOBSFECHXQFXCL-LLVKDONJSA-N 300.322 -0.670 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(C)=O)CC12CCOCC2 1186211997 HTZSBZKLCMDWKC-CQSZACIVSA-N 307.394 -0.400 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](CNCC(N)=O)C2(CCOCC2)C1 1186311464 UCEJFFLZOZPIAK-VXGBXAGGSA-N 308.382 -0.524 30 20 DBED CCCOCC(=O)N1CC[C@H]2CN(CC(=O)NCC#N)C[C@H]21 1187175589 WSARMDDDPJLQQB-QWHCGFSZSA-N 308.382 -0.415 30 20 DBED C=CCOCC(=O)N1CC[C@H]2CN([C@@H]3CCN(C)C3=O)C[C@H]21 1187326944 VKBCXSNPFGILTM-BFHYXJOUSA-N 307.394 -0.048 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)Cc2[nH]cnc2C)C1 1187420381 KXYSKYXUFLEGJZ-QWHCGFSZSA-N 317.393 -0.411 30 20 DBED Cc1nccc(C(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)n1 1187887618 HQPYVOMLOMGDBF-LLVKDONJSA-N 302.338 -0.771 30 20 DBED C#CCCN1C[C@@H]2CCN(C(=O)[C@@H](C)NC(=O)COC)[C@@H]2C1 1187996122 ATDYFDWQEDGDPC-HZSPNIEDSA-N 307.394 -0.307 30 20 DBED COC(=O)CNC(=O)CNC(=O)c1ccc(C#N)cc1OC 1192273235 WCEOWKJPVFGMEG-UHFFFAOYSA-N 305.290 -0.414 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2ccn(CC)n2)C[C@H]1O 1192892431 XOJHTUZVSSKTLI-NWANDNLSSA-N 320.393 -0.397 30 20 DBED C#CCC1(C(=O)N[C@@H]2CN([C@H](CC)C(N)=O)C[C@H]2O)CCC1 1193691075 NFMIMCCMLGBAOS-JHJVBQTASA-N 307.394 -0.395 30 20 DBED Cc1nccn1CC(=O)N1CC[C@H](N(C)CC(=O)NCC#N)C1 1194028377 ZASLZMCSIQBGRY-ZDUSSCGKSA-N 318.381 -0.636 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)CS(=O)(=O)CC(C)C)C1 1194184910 OROAABMZAUYBDZ-CHWSQXEVSA-N 318.439 -0.205 30 20 DBED CC(C)(C)C(C)(C)C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1O 1195338895 RKJLMMBAFBIPEN-VXGBXAGGSA-N 324.425 -0.140 30 20 DBED CCN1C[C@@H](C(=O)N2CCCO[C@H](CNCC#N)C2)CC1=O 1200634199 BBXKSAYWETVAST-QWHCGFSZSA-N 308.382 -0.415 30 20 DBED CN(CC(=O)N1CCC(NCC(=O)NCC#N)CC1)C1CCC1 1201066250 JBPWIQLTZNJCDM-UHFFFAOYSA-N 321.425 -0.309 30 20 DBED Cc1n[nH]c(C)c1C(=O)N1CCC(NCC(=O)NCC#N)CC1 1202961334 KFRXRSSVYOFRCT-UHFFFAOYSA-N 318.381 -0.139 30 20 DBED CC(C)(O)CC(=O)N1C[C@H]2CC[C@H]1[C@H](NCC(=O)NCC#N)C2 1204256506 SPKMVMMKFZJUMW-XQQFMLRXSA-N 322.409 -0.244 30 20 DBED Cc1cc(C(=O)N2CCC[C@@H](NCC(=O)NCC#N)C2)nn1C 1207546203 NFAHAQIBSKWBSG-GFCCVEGCSA-N 318.381 -0.438 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)Cc1cncs1 1207647984 JRVGKRNGMFSHSN-ZYHUDNBSSA-N 321.406 -0.238 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@H]1CCCN(C(=O)c2nnn(C)n2)C1 1209062594 XNFJWDCOAKVJRE-MNOVXSKESA-N 321.385 -0.905 30 20 DBED N#CCNC(=O)CN[C@H]1CCCN(C(=O)Cc2ncc[nH]2)C1 1210302870 HVZBNBWGSNVZPC-NSHDSACASA-N 304.354 -0.827 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[nH]2)C[C@H]1C 1211425728 QJSYHVRNQUFBPV-GRYCIOLGSA-N 323.397 -0.364 30 20 DBED C=CCCN1C[C@@H](NC(=O)CCNC(=O)COC)[C@H](OC)C1 1212365908 RIIXSRPYYJBXKS-CHWSQXEVSA-N 313.398 -0.469 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(CC(=O)NCC)C[C@H]1OC 1213959532 PFPISBXHNYEGTG-CHWSQXEVSA-N 313.398 -0.469 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2cnnn2C)C[C@H]1OC 1213965805 DAHDBUACCAAQST-MRVWCRGKSA-N 323.397 -0.278 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](NC[C@H]2CCOC2)[C@H](C)C1 1214474005 WGCDWHHQMGEWNR-MGPQQGTHSA-N 307.394 -0.401 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1C[C@@H](NCC(=O)NC)[C@H](C)C1 1214878743 DYUJAWGIPSLPNS-MCIONIFRSA-N 306.410 -0.734 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 1219476107 OPEXJNLBDWETLI-KGLIPLIRSA-N 304.350 -0.136 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C2=CCCCCC2)C1 1219510876 FTMSWEFTKVCCID-CABCVRRESA-N 319.405 -0.212 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)[C@H](C)NC(=O)CC(F)(F)F)C1 1219682146 CQMXHTJLQZJYDO-AEJSXWLSSA-N 323.315 -0.209 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)c2cc3n(n2)CCC3)C1 1219758477 XEVXCYKAEAVIOG-CABCVRRESA-N 320.393 -0.193 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)C(=O)Nc2ccc(C)cc2)C1 1220949766 VKCKIAVYCPEDLP-KGLIPLIRSA-N 301.346 -0.272 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(CCc2ccnn2C)C[C@@H]1O 1221139496 APJLVQYFXUJXLZ-CABCVRRESA-N 322.409 -0.283 30 20 DBED C=C[C@@](C)(O)CC(=O)N(C)C[C@H]1CCN1Cc1nc(=O)n(C)[nH]1 1233977751 OKXSRTQDJJKTCX-IAQYHMDHSA-N 323.397 -0.532 30 20 DBED Cc1onc(CC(=O)NCCOCCS(C)(=O)=O)c1C#N 1254338665 MJERZBCXNSEGMF-UHFFFAOYSA-N 315.351 -0.425 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N1CC(N2CCCC2=O)C1 1262296800 AKWICDRHAFHOOY-GFCCVEGCSA-N 321.377 -0.636 30 20 DBED CCn1c(SCC(=O)NCC#N)nnc1N1CCOCC1 1318457323 DWHNNRYFJUGRHG-UHFFFAOYSA-N 310.383 -0.134 30 20 DBED N#CCCCCNC(=O)C(=O)NCCNC(=O)c1ccco1 1322496496 SQYQGDKSPTWPQQ-UHFFFAOYSA-N 306.322 -0.064 30 20 DBED C=C[C@H]1CCCCN1C(=O)C(=O)N1CCS(=O)(=O)CC1 1325907959 PCLBSKZDZMYONI-NSHDSACASA-N 300.380 -0.190 30 20 DBED CO[C@@H]1CCN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)C[C@H]1C 1326265247 FSVIDILXWYBCJE-JMSVASOKSA-N 309.366 -0.253 30 20 DBED C[C@H](CN1CCCC1=O)NC(=O)C(=O)N[C@@H]1CC[C@H](C#N)C1 1329196932 IJBBRJJDXCBKCH-GRYCIOLGSA-N 306.366 -0.078 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H](CO)C2)CCN1C1CC1 1329768764 WZJDFGLURXXIQO-OCCSQVGLSA-N 320.393 -0.584 30 20 DBED C=C[C@H](CO)NC(=O)C(=O)Nc1ccc2c(c1)CC(=O)N2C 1330494666 CGWFANVKQNQCQQ-SNVBAGLBSA-N 303.318 -0.193 30 20 DBED COc1ccc(C#N)cc1NC(=O)C(=O)NCc1cnnn1C 1340072806 AYAOPVHXADZBHT-UHFFFAOYSA-N 314.305 -0.050 30 20 DBED C=CC[C@H]1NC(=O)N(CCNS(=O)(=O)NC(C)C)C1=O 1343713448 ULNHFUJSAZXIRR-SECBINFHSA-N 304.372 -0.685 30 20 DBED C#CCN(C(=O)C(=O)N1CC[C@@H]2NC(=O)OC[C@H]2C1)C(C)C 1353073366 FSBBMYRBAVIQGE-NEPJUHHUSA-N 307.350 -0.187 30 20 DBED C[C@@H]1O[C@H](C)[C@@H](C(=O)NCCn2cc(C#N)c(O)nc2=O)[C@@H]1C 1364106436 FMGZHDYZRDLYEK-KLBPJQLPSA-N 320.349 -0.004 30 20 DBED COC[C@H](O)CN1CC[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 1366686045 YNTYZSMNJWQXTB-DGCLKSJQSA-N 306.366 -0.055 30 20 DBED CCOc1cc(C(=O)NC[C@H](O)CNC(=O)[C@H](C)C#N)on1 1389114365 NAYPJESYQRVEIS-RKDXNWHRSA-N 310.310 -0.560 30 20 DBED Cc1nc(CC(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H](C)C#N)C2)n[nH]1 1396533564 XSYCVKZCERACCP-INTQDDNPSA-N 304.354 -0.174 30 20 DBED CCn1nnc(C)c1CN1CC(O)(CNC(=O)[C@H](C)C#N)C1 1407400627 VYDYUJYEGMKNDL-SNVBAGLBSA-N 306.370 -0.571 30 20 DBED Cc1nn(CC(=O)N[C@@H](C)C(=O)N(C)C)c(=O)c(C#N)c1C 1412922399 KIOWFXAAZBOYCK-JTQLQIEISA-N 305.338 -0.675 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)CCc2nccs2)C1 1428929942 WEMRQZSAFYKTSY-AXFHLTTASA-N 322.390 -0.077 30 20 DBED C[C@H](C#N)C(=O)N(CCNC(=O)c1cn(C)c(=O)n1C)C1CC1 1431889426 OGKJEQUSYVQNIN-SNVBAGLBSA-N 319.365 -0.396 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1cc(N(C)C)ccn1 1433326423 ZXPJZJDNLZVSAQ-PWSUYJOCSA-N 319.365 -0.486 30 20 DBED COC(=O)C1(NC(=O)[C@@H](C)n2cnc(C#N)n2)CCOCC1 1433485504 XKTYSPHOGNCANW-SECBINFHSA-N 307.310 -0.451 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(O)(CN[C@H](C)c2nnnn2C)CC1 1440631050 XMNDZWVXWGNDEE-WDEREUQCSA-N 321.385 -0.626 30 20 DBED C[C@H](CCNC(=O)[C@@H]1CCC(=O)N1)NC(=O)c1cc(C#N)c[nH]1 1448601679 YRUUTVNLOSEIKP-KOLCDFICSA-N 317.349 -0.210 30 20 DBED COCC(=O)NCCC(=O)NC[C@@H](C)N(C)C(=O)[C@@H](C)C#N 1449975742 MLSIMGGMJBDIQW-WDEREUQCSA-N 312.370 -0.738 30 20 DBED C[C@H](C#N)C(=O)NCC1CCN(C(=O)Cn2ncnn2)CC1 1492162317 UUYHBSGYZAJAIT-SNVBAGLBSA-N 305.342 -0.812 30 20 DBED C#CC[C@H](CO)NS(=O)(=O)c1ccc(OCC(=O)O)cc1 1573302237 LIMBTUCEJWKVOA-SNVBAGLBSA-N 313.331 -0.188 30 20 DBED C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCNCC1 1574953692 FLYZNHKVMSYLSW-NSHDSACASA-N 311.411 -0.224 30 20 DBED C[C@@]1(NC(=O)C2CC3(CNC[C@H]3C#N)C2)CCS(=O)(=O)C1 1576535232 PFKKCVCCPFCVSJ-BGZAYEDQSA-N 311.407 -0.181 30 20 DBED CCOC(=O)N1C[C@H](CO)[C@@H](NC(=O)C#CC2CCNCC2)C1 1577966971 CTELEUFIJPCIRZ-KGLIPLIRSA-N 323.393 -0.445 30 20 DBED N#Cc1nc(N[C@H]2CCCC[C@@H]2C(N)=O)cnc1-c1nn[nH]n1 1581880218 CVRKWHBQDDDJEN-YUMQZZPRSA-N 313.325 -0.016 30 20 DBED C#CC[C@H](NC(=O)c1c(C)oc(C)c1S(N)(=O)=O)C(=O)O 1588414721 YHLHBYDKBMAWFG-QMMMGPOBSA-N 314.319 -0.250 30 20 DBED C=CCn1nnnc1N1C[C@@H](C(=O)O)C2(CC(C(=O)OC)C2)C1 1588474971 QNNOBPQSPDWQIL-XIRUVYRFSA-N 321.337 -0.051 30 20 DBED C=CCNC(=O)CN[C@H]1C[C@@H](CNC(=O)[C@H]2C[C@@H]2C(=O)O)C1 1588844699 OZPIRNFFWNIOLW-USZNOCQGSA-N 309.366 -0.506 30 20 DBED C=CCOC[C@@H](NC(=O)c1coc(S(N)(=O)=O)c1)C(=O)O 1588860567 YPPNJMAGTWIBLC-MRVPVSSYSA-N 318.307 -0.687 30 20 DBED CC(=O)NCCCCCn1c(N)nc(-c2nn[nH]n2)c1C#N 1588861613 KOFAKVSORNSRID-UHFFFAOYSA-N 303.330 -0.177 30 20 DBED Cc1cc(-c2nn[nH]n2)nc(NCCNC(=O)[C@H](C)C#N)n1 1591900157 MZDRKQGSPMJOMZ-SSDOTTSWSA-N 301.314 -0.347 30 20 DBED Cn1c(C(=O)N2CC[C@](O)(CC#N)C2)ccc1-c1nn[nH]n1 1592550462 SBRFKPZWCJCPKM-CYBMUJFWSA-N 301.310 -0.304 30 20 DBED C#C[C@H](CO)NC(=O)c1ccn(-c2cccc(-c3nn[nH]n3)c2)n1 1602689543 SJCFAGTZEFZZNA-LLVKDONJSA-N 323.316 -0.224 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN([C@@]2(C(=O)O)CCOC2)CC1 1602901350 GFGIYFPLYXASNK-WFASDCNBSA-N 311.382 -0.462 30 20 DBED CN(C)CC#CCNC(=O)c1ccc(-c2nn[nH]n2)c(O)c1 1604678075 VGUQXQLZSKEQMJ-UHFFFAOYSA-N 300.322 -0.133 30 20 DBED CON(C)C(=O)[C@@H](C)Nc1cnc(C#N)c(-c2nn[nH]n2)n1 1605141207 MZTXFXGPOYASEX-ZCFIWIBFSA-N 303.286 -0.651 30 20 DBED Cn1nc(C2CC2)nc1Cn1c(N)nc(C#N)c1-c1nn[nH]n1 1606268922 VOXWNCRHLIWSHJ-UHFFFAOYSA-N 311.313 -0.429 30 20 DBED COCC#CCN1CC[C@H](NC(=O)CN2CCCNC2=O)C1 1698546568 DWOPKGRUTLNZOL-ZDUSSCGKSA-N 308.382 -0.758 30 20 DBED CC(=O)NCCOCCN1CCC[C@H]1CNC(=O)[C@@H](C)C#N 1753096673 DJOMWEKUNZGALQ-JSGCOSHPSA-N 310.398 -0.121 30 20 DBED CCc1cc(C(=O)NC[C@@H](CC)NCC(=O)NCC#N)no1 1753496101 PDDQVTOKUPGRGS-SNVBAGLBSA-N 307.354 -0.025 30 20 DBED C#CCNC(=O)CN1CCO[C@@H](CNC(=O)c2ccccc2)C1 1753647220 HQYUVWDUXZRWCT-HNNXBMFYSA-N 315.373 -0.133 30 20 DBED C#CCNC[C@H]1CCC[C@@H]1NC(=O)CCCN1C(=O)CNC1=O 1753902066 OJCGKTJAGSYMIS-OLZOCXBDSA-N 320.393 -0.174 30 20 DBED C=CCNC(=O)CNC[C@@H](C)NC(=O)Cn1cc(Cl)cn1 1754242703 PAKGPHIPXCBTHU-SNVBAGLBSA-N 313.789 -0.067 30 20 DBED C#CCCNC[C@H](C)NC(=O)Cn1ncn2nccc2c1=O 1754286160 ZKVYQIYEWSQWGA-NSHDSACASA-N 302.338 -0.991 30 20 DBED C#Cc1cncc(C(=O)N[C@]2(CO)CCCN(CC(N)=O)C2)c1 1754857193 BCFBFQGKPWDTKL-MRXNPFEDSA-N 316.361 -0.895 30 20 DBED C#CCN[C@@H](C)CN(C)C(=O)C[C@@]1(C)CCS(=O)(=O)N1 1755613807 HJMPIRRWFMXBLX-WCQYABFASA-N 301.412 -0.472 30 20 DBED C[C@@H]1C[C@@H](NCC(=O)NCC#N)CN1C(=O)c1cc[n+]([O-])cc1 1755670171 QCPOWIYDRMKAHT-DGCLKSJQSA-N 317.349 -0.848 30 20 DBED C=CCNC(=O)CNC[C@H](O)CN(C)C(=O)c1nccc(C)n1 1755778277 UCFCQZDPXNMVPJ-LBPRGKRZSA-N 321.381 -0.890 30 20 DBED CCCn1cc(C(=O)N(C)C[C@H](O)CNCC#CCOC)nn1 1755792471 WOJIVXGRNDTYAI-CYBMUJFWSA-N 323.397 -0.640 30 20 DBED C=CCCOCC(=O)N(C)[C@H](C)CNC(=O)c1nnn(C)n1 1756057527 CHFAKLQKVQEGBJ-SNVBAGLBSA-N 310.358 -0.621 30 20 DBED C#CCOCCC(=O)N1C[C@@H]2C(CNC(=O)CCN(C)C)[C@H]2C1 1756210319 TZMDBOPGXQBVQQ-HUUCEWRRSA-N 321.421 -0.201 30 20 DBED Cc1ccnn1CC(=O)N[C@@H](CO)CNC(=O)C#CC(C)C 1756517696 MTVOIFNAOKFTMC-CYBMUJFWSA-N 306.366 -0.556 30 20 DBED CC(C)C#CC(=O)N(C)C[C@H](O)CN(C)C(=O)c1cn[nH]c1 1756683920 PJBQHOGYSNOECA-ZDUSSCGKSA-N 306.366 -0.040 30 20 DBED CC(C)C#CC(=O)N1CCC2(C1)CN(C(=O)Cn1ncnn1)C2 1756832355 CTLSDAQGCTUOAQ-UHFFFAOYSA-N 316.365 -0.607 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@@H]1O 1757173954 NNIWQMQMVDCURQ-MJBXVCDLSA-N 320.389 -0.238 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)Cn1cccn1)CCO2 1783049392 WHMVLPLRCWVNPK-HNNXBMFYSA-N 302.334 -0.654 30 20 DBED CC(C)(C)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC#N)C2 1795563859 UPILORKDYGYOBQ-JJLQDPRZSA-N 322.409 -0.122 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)CC(=O)NC)C2 1841598286 APQWAMFVICFKCD-LBPRGKRZSA-N 321.377 -0.636 30 20 DBED CS(=O)(=O)NCCNC[C@@H](O)COc1ccccc1C#N 37891420 BQGZBKYPWLGARG-GFCCVEGCSA-N 313.379 -0.563 30 20 DBED COC(=O)c1cc(C#N)c(=O)n(CC(=O)NC(=O)NC2CC2)c1 42726407 WZRPBKZHHJISAC-UHFFFAOYSA-N 318.289 -0.505 30 20 DBED COCC/N=C(/N)NC[C@H](O)CN1CCc2ccccc2C1 66245382 CSAIKXIEYCIRNN-HNNXBMFYSA-N 306.410 -0.044 30 20 DBED C=CCN(CC(=O)O)C(=O)NCC(C)(C)NS(C)(=O)=O 92468953 JRPCZGUTTPXQMK-UHFFFAOYSA-N 307.372 -0.404 30 20 DBED CCCNC(=O)CN(C)C(=O)Cn1c(C)nc(C#N)c1C#N 135489597 GRNFVJSLWBVRQR-UHFFFAOYSA-N 302.338 -0.081 30 20 DBED CCc1c(C(=O)NCC#N)cnc2c1c(=O)n(C)c(=O)n2C 151722706 CYHHFPAAFFDGDD-UHFFFAOYSA-N 301.306 -0.552 30 20 DBED C=CCNC(=O)CNS(=O)(=O)c1cnc2c(c1)c(C)nn2C 180270980 XTBKJIMJIHWXGX-UHFFFAOYSA-N 323.378 -0.143 30 20 DBED COC[C@H]1CN(c2c(C#N)c(=O)n(C)c(=O)n2C)C[C@@H](C)O1 275795739 CRDBQVMCMQZESH-NXEZZACHSA-N 308.338 -0.804 30 20 DBED CN(C[C@H](O)CNc1nccnc1C#N)c1nccnc1C#N 292753233 NSIZZEWHCLDYIY-SNVBAGLBSA-N 310.321 -0.081 30 20 DBED Cc1nc(C(=O)NC[C@@H]2CS(=O)(=O)CCO2)ccc1C#N 329074789 PJGATOCLYXBRQF-LLVKDONJSA-N 309.347 -0.195 30 20 DBED CC1(C)CN(/C(O)=N/CCn2cncn2)CCS1(=O)=O 329774649 MJTRGYKQULPUPK-UHFFFAOYSA-N 301.372 -0.299 30 20 DBED COCCN1CCCN(/C(O)=N/Cc2ncn(C)n2)CC1=O 329858901 OJVGUECAIISLHU-UHFFFAOYSA-N 310.358 -0.590 30 20 DBED COC/C(O)=N/C1CN(C(=O)CCN2CCCS2(=O)=O)C1 330004610 CSPOEVSMSRNHPP-UHFFFAOYSA-N 319.383 -0.774 30 20 DBED CNS(=O)(=O)c1cccc(N=C(O)N2CCNC(=O)C2)c1 330600131 UWANESSLMRLVSW-UHFFFAOYSA-N 312.351 -0.428 30 20 DBED CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CC[C@H](S(N)(=O)=O)C1 330634594 TYDCOYLTJJEEJW-NTZNESFSSA-N 316.427 -0.208 30 20 DBED N#CCCN(CCN1CCOCC1)S(=O)(=O)N1CCCC1 330774435 XYSGLGPUSJVQAI-UHFFFAOYSA-N 316.427 -0.125 30 20 DBED CC/N=C(/O)NC(=O)[C@H](C)N1CCN(Cc2cnn(C)c2)CC1 331214344 BKKVTWVZAKRZMI-LBPRGKRZSA-N 322.413 -0.024 30 20 DBED Cc1ncc(CNS(=O)(=O)N2CCO[C@H](C#N)C2)c(O)n1 336906007 TYJQDVYDSRHBEM-SNVBAGLBSA-N 313.339 -0.951 30 20 DBED C=CCN(CCOC)C(=O)NCc1cn(CC(=O)OC)nn1 359239282 ZCLWCHOQIWLCGB-UHFFFAOYSA-N 311.342 -0.205 30 20 DBED N#C[C@H]1COCCN1S(=O)(=O)C[C@@H]1CCCS(=O)(=O)C1 408193198 QTWPSCKZROEVIT-MNOVXSKESA-N 322.408 -0.635 30 20 DBED C=CCn1cc(CNC(=O)N[C@@H](C)CN2CCOCC2)nn1 425408500 TZAAMAUQKFRSBL-LBPRGKRZSA-N 308.386 -0.016 30 20 DBED C#CCNC(=O)CN1CCN([C@H](C)C(=O)NC(C)(C)C)CC1 491165676 MVKNMLDWRZFLOW-CYBMUJFWSA-N 308.426 -0.343 30 20 DBED CN(C)C(=O)N1CCN(S(=O)(=O)N(C)CCC#N)CC1 563964488 MMDBGGNKIJSHNA-UHFFFAOYSA-N 303.388 -0.624 30 20 DBED C[C@@H](C#N)S(=O)(=O)N1CCC[C@](O)(C(=O)N2CCCC2)C1 566865580 DMVIOBZJRIGJEQ-WCQYABFASA-N 315.395 -0.322 30 20 DBED C=CCCn1cc(C(=O)N2CCCNC[C@H]2C(=O)OC)nn1 592549763 CFKUFOUKJQWFHY-LBPRGKRZSA-N 307.354 -0.169 30 20 DBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)N[C@H]1C[C@@H](C(N)=O)C1 593453159 QOWPKVYMMMLWNR-KYZUINATSA-N 319.369 -0.299 30 20 DBED CC[C@H](C#N)N(C)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O 594579631 OQCYABYCQSTPCH-MRVPVSSYSA-N 300.340 -0.993 30 20 DBED N#CCNS(=O)(=O)CCCS(=O)(=O)N[C@]12CCC[C@H]1C2 595962487 BMPNYNZQJBXEKT-QWRGUYRKSA-N 321.424 -0.319 30 20 DBED CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1ncc(C#N)cc1C 598020784 NDCRCEANLAKFAI-QWRGUYRKSA-N 309.347 -0.197 30 20 DBED N#C[C@H]1COCCN1S(=O)(=O)c1ccc2c(c1)NC(=O)CO2 610266970 XDDUCQIUDZCBNP-VIFPVBQESA-N 323.330 -0.069 30 20 DBED N#CCCn1ccc(NC(=O)NCCCN2C(=O)CNC2=O)n1 610326153 CLOWZOJJMIYUSZ-UHFFFAOYSA-N 319.325 -0.140 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1CCN(CCO)C(C)(C)C1 614920944 ZZEGTURGTCFFOD-LBPRGKRZSA-N 312.414 -0.225 30 20 DBED COCCN(CCOC)S(=O)(=O)N1CC[C@@](F)(C#N)C1 615544942 IZZABJADMGPWMC-LLVKDONJSA-N 309.363 -0.236 30 20 DBED C=CC[C@@H](CO)CNS(=O)(=O)CCCN1CCN(C)CC1 632182303 DDXYCKHHXZYNIQ-CQSZACIVSA-N 319.471 -0.272 30 20 DBED C=C[C@@H]1OCC[C@H]1NS(=O)(=O)CCCN1CCN(C)CC1 632411946 OGYHRHMLDFTVKQ-KGLIPLIRSA-N 317.455 -0.113 30 20 DBED C=C[C@@H]1OCCC[C@H]1NC(=O)N(CCO)CCOCCO 637194704 LZAGHTPLGLESCW-OLZOCXBDSA-N 302.371 -0.267 30 20 DBED C=CCOCCCNS(=O)(=O)CCNS(=O)(=O)CC 657148378 YELUOVZNAAZLQB-UHFFFAOYSA-N 314.429 -0.562 30 20 DBED C=C[C@H](CO)NC(=O)N[C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O 664265944 WZPWKLLDHGGTBA-CKYFFXLPSA-N 307.354 -0.240 30 20 DBED COCC#CCOC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 762836247 AWIDAFBFIAIPGC-FPQZTECRSA-N 307.302 -0.658 30 20 DBED CNC(=O)CNC(=S)NN=Cc1ccc(O)c(C(=O)O)c1 777437605 RVRFADVCOJILOI-UHFFFAOYSA-N 310.335 -0.366 30 20 DBED C#CCOCCNC(=O)N1CCC[C@@H](S(=O)(=O)NC)C1 784552864 XSZPGDFUYPCOQR-LLVKDONJSA-N 303.384 -0.641 30 20 DBED C#C[C@@H](NC(=O)C(=O)N1[C@H]2CC[C@H]1CC(O)C2)[C@@H]1CCCO1 809307504 DUUMCMXNWZLRRM-VTPLQMEGSA-N 306.362 -0.202 30 20 DBED C#C[C@@H](NC(=O)C(=O)N1CCC(CO)(OC)CC1)[C@@H]1CCCO1 809312086 XRTSLUCTWKVQHW-OLZOCXBDSA-N 324.377 -0.717 30 20 DBED CCNC(=O)CN1CCN(C(=O)[C@@](C)(C#N)CC(=O)O)CC1 820354287 QYZKYCCTYVHCOW-CQSZACIVSA-N 310.354 -0.729 30 20 DBED C#CCOCCNC(=O)[C@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F 821881303 JMKGWBIFGIBRHG-IUCAKERBSA-N 313.297 -0.025 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(C(=O)C(=O)OCC)CC1 825891173 GASFBLBLWOOIEP-NEPJUHHUSA-N 310.350 -0.189 30 20 DBED COc1ccc(CNC(=O)[C@H]2CCS(=O)(=O)N2)cc1C#N 845851273 XEOCHGHPBASYHB-LLVKDONJSA-N 309.347 -0.125 30 20 DBED C/N=C(/NCCN1CCOCC1)NCC(C)(C)OCCO 849028295 PDMAULLCDLBWBD-UHFFFAOYSA-N 302.419 -0.729 30 20 DBED N#Cc1cccc(S(=O)(=O)NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)c1 860450824 BQAOFOBEPQABDU-WDEREUQCSA-N 323.330 -0.604 30 20 DBED C#CC1(O)CN(C(=O)NC2CCN([C@@H]3CCC[C@@H]3O)CC2)C1 893743301 PODFVYAUXHMWDP-KGLIPLIRSA-N 307.394 -0.246 30 20 DBED N#CCNC(=O)CNC(=O)c1cccn1CCN1CCOCC1 908175995 NSTSAZHLWNDEND-UHFFFAOYSA-N 319.365 -0.810 30 20 DBED C=CCCC(=O)[C@@H]1CCCN1C(=O)CN1C(=O)C(=O)N(C)C1=O 908647565 GOPBANTVQSRADW-JTQLQIEISA-N 321.333 -0.067 30 20 DBED C#CC1(O)CN(CCOCCN2C(=O)c3ccccc3C2=O)C1 934452785 DLCVRNKRQMASBF-UHFFFAOYSA-N 314.341 -0.021 30 20 DBED CN(C(=O)[C@H]1CCC(=O)N1)[C@H]1CCN(C(=O)C#CC2CC2)C1 937347325 KZAYQEYJWFKINF-QWHCGFSZSA-N 303.362 -0.262 30 20 DBED CN1CCOC[C@H]1C(=O)N[C@H]1CCN(C(=O)C#CC2CC2)C1 937848198 OECFNIDQCLXQPT-KBPBESRZSA-N 305.378 -0.553 30 20 DBED C[C@H]1CCN(C(=O)C(=O)N[C@H]2CCN(C(=O)C#CC3CC3)C2)C1 938893508 KNVYJLJHVUILTB-JSGCOSHPSA-N 317.389 -0.015 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2cc[nH]n2)C1 939524578 UJFUDGOBQDGPEK-OCCSQVGLSA-N 315.377 -0.162 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)[C@H]1CCNC1=O)CCO2 949154305 SXCYTQFFJKZXNO-ZDUSSCGKSA-N 305.378 -0.551 30 20 DBED CCN(C(=O)c1c[nH]c(C#N)c1)C1CN(Cc2nnn(C)n2)C1 949919300 SVOQCWVTZPCHAZ-UHFFFAOYSA-N 314.353 -0.244 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2cnon2)C1 954630764 JACZZELODOXSAW-ZDUSSCGKSA-N 317.349 -0.550 30 20 DBED CC#CCN1C[C@@H](O)[C@H](CNC(=O)c2cc(OC)ncn2)C1 958072642 DHUIATDGBBUALI-DGCLKSJQSA-N 304.350 -0.469 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2cnc3[nH]nnc3c2)C1 958135527 OTKATKUAGPRLAD-ZYHUDNBSSA-N 300.322 -0.991 30 20 DBED C#CCCN1C[C@H](CNC(=O)c2cn(C)nc2COC)[C@@H](O)C1 958190433 GWCPMLYAOCOMHV-WFASDCNBSA-N 320.393 -0.388 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1n[nH]cc1F 960908205 XJCCLRYTBIPXDQ-DVVUODLYSA-N 321.312 -0.240 30 20 DBED Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)n1C 961519731 SHIPDNBQAZFNRJ-NDMJEZRESA-N 304.350 -0.205 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CN(C(=O)Cn3nccn3)C[C@H]2C1 961634835 WSWQGRLDIQFDQM-SDDRHHMPSA-N 302.338 -0.645 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cn[nH]c2)C1 961689432 XZAPQBAJDNFWOB-NDBYEHHHSA-N 320.349 -0.698 30 20 DBED C#CCCN1C[C@@H]2C(NC(=O)c3cnn4c(=O)cc[nH]c34)[C@H]2C1 961980075 HHFXLUNUYCAHJN-RYUDHWBXSA-N 311.345 -0.294 30 20 DBED CC(C)n1cnc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)c1 969017832 FZTPLMQAGARQHC-WZRBSPASSA-N 319.365 -0.075 30 20 DBED C#CCN1CC([C@H](C)NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 969668263 QHSRJJWTFPHTQG-NWDGAFQWSA-N 315.377 -0.168 30 20 DBED C[C@@H](NC(=O)c1cnc2c(c1)NC(=O)CO2)C1CN(CC#N)C1 970066138 GKESYEHKOJHMCT-SECBINFHSA-N 315.333 -0.014 30 20 DBED C#CCCN1C[C@H]2CC[C@H]1CN2C(=O)c1nnc(O)nc1O 971565411 LUYWOTNCJRNKHD-VHSXEESVSA-N 303.322 -0.405 30 20 DBED N#Cc1cc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3CCC(=O)N3)C2)c[nH]1 973949296 BNHCIAZPHJVKDP-JFGNBEQYSA-N 315.333 -0.458 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H]2CCN(C(=O)Cn3ncnn3)C[C@H]21 974725626 OSALLFBSKYDMNI-VXGBXAGGSA-N 318.381 -0.055 30 20 DBED C#CCN1C[C@H]2C(CNC(=O)c3c(C)c(C)nn(C)c3=O)[C@@H]2C1 978559495 IUHLBXKMHCCHEB-KBPBESRZSA-N 314.389 -0.062 30 20 DBED C#CCN1C[C@H]2C(CNC(=O)c3cccn4c(O)nnc34)[C@@H]2C1 978938701 DPWMGVOLKYMDCL-STQMWFEESA-N 311.345 -0.024 30 20 DBED CN(C)[C@H](Cn1cccn1)C(=O)N1CCCN(CC#N)CC1 981326506 DZTCPXDQGFLLHE-CQSZACIVSA-N 304.398 -0.129 30 20 DBED C=CCn1cc(C(=O)N2CC(NC(=O)c3cc[nH]n3)C2)nn1 990285692 CBEPYFXDEPLHCY-UHFFFAOYSA-N 301.310 -0.558 30 20 DBED N#Cc1cc(C(=O)N2CCC(N[C@@H]3CCNC3=O)CC2)c[nH]1 991416184 IHZDYPPQKHTVKP-CYBMUJFWSA-N 301.350 -0.031 30 20 DBED N#CCN1CC=C(CNC(=O)[C@@H]2Cc3cncn3C(=O)N2)CC1 1000996530 USIWXMNVWOEFMH-ZDUSSCGKSA-N 314.349 -0.363 30 20 DBED C[C@H]1C[C@H](NC(=O)c2nnn(C)n2)CN1C(=O)C#CC1CC1 1012590492 JVZXUYLUFWGQFU-ONGXEEELSA-N 302.338 -0.657 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CC23CCN(CC(N)=O)CC3)c[nH]1 1016586333 FSMCFDFHVMEAQF-GFCCVEGCSA-N 301.350 -0.044 30 20 DBED CN1C(=O)CN(CC(=O)N[C@H]2CC23CCN(CC#N)CC3)C1=O 1016926131 LHDRQSCORRADNW-NSHDSACASA-N 319.365 -0.625 30 20 DBED C#CCN1CCC2(CC1)C[C@@H]2NC(=O)c1cn(C)c(=O)n1C 1016990850 SSNZUUCICHHJSU-ZDUSSCGKSA-N 302.378 -0.059 30 20 DBED N#Cc1c[nH]c(C(=O)N2CCC3(CN(C(=O)C(N)=O)C3)C2)c1 1019353785 AWEJKSSBPGUTDR-UHFFFAOYSA-N 301.306 -0.954 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2C[C@H](NCc3nnn(C)n3)C2)cn1 1020948183 YHIJGBXWAHBCJZ-JOCQHMNTSA-N 311.349 -0.363 30 20 DBED Cc1nc(CC(=O)N2CC[C@H]3CN(C(=O)[C@@H](C)C#N)C[C@H]32)n[nH]1 1021594041 WLECANMQMWRVFZ-ZMLRMANQSA-N 316.365 -0.125 30 20 DBED C=CCN1CC[C@@H]2[C@H](CCCN2C(=O)CN2CCNC(=O)C2)C1 1021653217 VPKKWEZVDVHCHG-HUUCEWRRSA-N 320.437 -0.083 30 20 DBED N#Cc1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cocn3)C2)[nH]1 1023195600 XGFKXHPVXWAIRV-ZYHUDNBSSA-N 315.289 -0.510 30 20 DBED Cc1cncc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2O)c1 1023276852 YQJXQVSEJOTDLP-RAIGVLPGSA-N 302.334 -0.149 30 20 DBED COc1c(O)nc(O)nc1C(=O)NC[C@H]1CCN(CC#N)C1 1028927247 XLAUOHVMVHFCGI-MRVPVSSYSA-N 307.310 -0.528 30 20 DBED N#CCN1[C@H]2CC[C@H]1CN(C(=O)c1coc(S(N)(=O)=O)c1)C2 1029364717 IUVYGEVLUNGXQZ-QWRGUYRKSA-N 324.362 -0.261 30 20 DBED N#CCN1[C@H]2CC[C@H]1CN(C(=O)c1cc(=O)n3[nH]cnc3n1)C2 1029551796 KJZHFLUBXPMMPT-UWVGGRQHSA-N 313.321 -0.770 30 20 DBED C#CCN1CCC(C(=O)NCC2CN(CC(=O)NC)C2)CC1 1032205246 SRJYZJKVNAYXMU-UHFFFAOYSA-N 306.410 -0.874 30 20 DBED CC#CCN1CC[C@@H](N(CC)C(=O)c2cn(CC(N)=O)nn2)C1 1034048337 GQEUOVMUUHXBKP-GFCCVEGCSA-N 318.381 -0.677 30 20 DBED C#CCCN1CCCC[C@H](NC(=O)CN2CCC(=O)NC2=O)C1 1034472911 DAZNCAUWZYZWMJ-ZDUSSCGKSA-N 320.393 -0.078 30 20 DBED C=C(C)CN1CCO[C@H](CNC(=O)c2cn(CCOC)nn2)C1 1035362927 YGJNZMPTBDQTBL-CYBMUJFWSA-N 323.397 -0.069 30 20 DBED C=CCCN1CCO[C@H](CNC(=O)c2cnc(O)n(C)c2=O)C1 1035466789 JGXNGUNHECOKMW-LLVKDONJSA-N 322.365 -0.507 30 20 DBED CC#CCN1CC[C@@H]2CN(C(=O)C3CS(=O)(=O)C3)CC[C@H]21 1036724114 ACKAAAPAPNPYQG-TZMCWYRMSA-N 310.419 -0.023 30 20 DBED CC#CCN1CC[C@@H]2CN(C(=O)CN3C(=O)CNC3=O)CC[C@@H]21 1036888008 BFPIUTBVKXBSNK-OLZOCXBDSA-N 318.377 -0.516 30 20 DBED C=CCCOCC(=O)NC[C@@]1(O)CCN(C(=O)c2ccon2)C1 1040156151 JGFCXLOVPWKVJX-HNNXBMFYSA-N 323.349 -0.040 30 20 DBED C[C@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)Cc2cnc[nH]2)C1 1040767022 VRPKLQZMGZOSSS-QMTHXVAHSA-N 305.338 -0.809 30 20 DBED C#Cc1ccc(C(=O)N2CC(O)(CNC(=O)COC)C2)nc1 1041155193 ZVAXTMSSTCNXQS-UHFFFAOYSA-N 303.318 -0.988 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)CCn2cncn2)C1 1041507666 SUTMUUSANSDTOR-UHFFFAOYSA-N 319.365 -0.839 30 20 DBED C[C@H](C(=O)N1CC(O)(CNC(=O)CSCC#N)C1)C1CC1 1041568492 LXXSUUWTUBNYHA-JTQLQIEISA-N 311.407 -0.021 30 20 DBED C=CCN1CC[C@H]2CCN(C(=O)Cn3cnc(C(N)=O)n3)C[C@@H]21 1042066631 HSOFNDFVVSFDHE-RYUDHWBXSA-N 318.381 -0.514 30 20 DBED C[C@@H](OCC1CC1)C(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042957945 BSNYVNSWAAJDLV-GFCCVEGCSA-N 320.389 -0.096 30 20 DBED C[C@@H]1CN(C(=O)Cc2nc[nH]n2)C[C@H]1N=c1cc[nH]cc1C#N 1043325416 VGNDDGOBXSBHRF-ZWNOBZJWSA-N 311.349 -0.005 30 20 DBED CN(C(=O)[C@H]1CNC(=O)N1)C1CN(Cc2cccc(C#N)c2)C1 1043704553 MPAUNSIPRYICNG-CQSZACIVSA-N 313.361 -0.118 30 20 DBED C=C(C)C[C@H](C)C(=O)NCC1(O)CN(C(=O)[C@H]2CCC(=O)N2)C1 1045054766 FSXKICBKSCDDTA-NWDGAFQWSA-N 323.393 -0.443 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)[C@H]2CCO[C@H]2C)C1 1045292668 IOOUVTMUQITBDM-RYUDHWBXSA-N 312.366 -0.697 30 20 DBED Cc1ccnc(C(=O)N2CC(O)(CNC(=O)[C@@H](C)C#N)C2)n1 1045540681 KTVJSEIBJLQJIG-VIFPVBQESA-N 303.322 -0.752 30 20 DBED C#CCN1CC[C@](C)(NC(=O)c2ccc(=O)n(CCOC)n2)C1 1046469039 SEAFSMJIAPIIDZ-INIZCTEOSA-N 318.377 -0.283 30 20 DBED C=CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)c2nocc2C)C1 1046565057 OIANUOHELDCJAE-LLVKDONJSA-N 323.349 -0.123 30 20 DBED C=C(C)CN1CC[C@](C)(NC(=O)c2cn(CC(N)=O)nn2)C1 1046854287 NCADQCQCBNIDSO-AWEZNQCLSA-N 306.370 -0.466 30 20 DBED COC[C@@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C#CC(C)C)C1 1048811162 PBIGQNXGMXDLCP-RDBSUJKOSA-N 310.394 -0.042 30 20 DBED CC(C)C#CC(=O)N(C)[C@H]1CN(C(=O)c2cnco2)C[C@@H]1O 1048814027 RVCWIPBHVYGSAG-RYUDHWBXSA-N 305.334 -0.022 30 20 DBED C=CCN1CCC2(CC1)CN(C(=O)CN1CC(=O)N(C)C1=O)C2 1050729752 AMHFWYMVGAFOAG-UHFFFAOYSA-N 320.393 -0.009 30 20 DBED N#Cc1nccnc1N1CC[C@@H](NC(=O)c2cc[nH]n2)[C@H](O)C1 1051612443 LMBRUBOMFBEEPA-BXKDBHETSA-N 313.321 -0.559 30 20 DBED C=CCN1CCN([C@@H]2CCN(C(=O)Cn3cnnc3O)C2)CC1 1052016533 XPRYGOOCMRJNTD-CYBMUJFWSA-N 320.397 -0.612 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)c3ccc(C(N)=O)o3)CO2)C1 1053866026 PNPFWSVXVZDCCY-SECBINFHSA-N 304.306 -0.525 30 20 DBED CNC(=O)CC(=O)N1CCC[C@@](CO)(NC(=O)C#CC(C)C)C1 1055933882 XCNFZMKKMAUHRR-MRXNPFEDSA-N 323.393 -0.748 30 20 DBED N#Cc1nccc(N2CCN(C(=O)[C@@H]3CCNC3=O)CC2)n1 1055973700 ANNNGCUAQRQDFS-SNVBAGLBSA-N 300.322 -0.867 30 20 DBED C=CCCC(=O)N1CCC[C@@](CO)(NC(=O)Cn2cncn2)C1 1056135970 JZPCVGOVCQSFDS-OAHLLOKOSA-N 321.381 -0.286 30 20 DBED N#Cc1cnc(N2C[C@@H]3C(NC(=O)[C@@]45COC[C@@H]4C5)[C@H]3C2)cn1 1056451380 RAGNXAHIXZYIJL-COAQGJIASA-N 311.345 -0.064 30 20 DBED Cn1oc(C(=O)N2CC[C@@H](Nc3cncc(C#N)n3)C2)cc1=O 1056617669 DBHVGPRURNYMKZ-SECBINFHSA-N 314.305 -0.033 30 20 DBED CN(c1ccnc(C#N)n1)[C@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1 1056947929 OOXDJUWQJYJAII-QWRGUYRKSA-N 314.349 -0.336 30 20 DBED CC[C@@H](OC)C(=O)NCCN(CCO)C(=O)c1c[nH]c(C#N)c1 1057392093 ZJEZACBQZYSSHQ-CYBMUJFWSA-N 322.365 -0.138 30 20 DBED Cc1nc[nH]c1C(=O)NCCN(CCO)C(=O)C#CC1CC1 1057537717 LERQTDITDQQNKV-UHFFFAOYSA-N 304.350 -0.318 30 20 DBED N#Cc1nccnc1N1CC[C@H](NC(=O)[C@H]2CCNC2=O)C1 1058507755 MFNRYNGRJPPHGZ-UWVGGRQHSA-N 300.322 -0.821 30 20 DBED N#Cc1cnc(N2CC[C@H](NC(=O)c3c[nH]c(=O)cn3)C2)cn1 1058533051 SHCKERSPZGWWNR-VIFPVBQESA-N 311.305 -0.560 30 20 DBED C=CCCCC(=O)N(CCO)CCNC(=O)CNC(=O)CC 1058621526 JKVMWGAKZHSUSY-UHFFFAOYSA-N 313.398 -0.194 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)CCc1cnccn1 1058657000 OIUIOKYYQISZDG-GFCCVEGCSA-N 319.365 -0.494 30 20 DBED COc1ccnc(C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N)c1 1058660657 FKJBCSHUQFQQFP-NSHDSACASA-N 320.349 -0.199 30 20 DBED CC(C)n1cc(C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N)nn1 1058664841 OXQUEGMJGGBWMI-NSHDSACASA-N 322.369 -0.431 30 20 DBED CN(C[C@@H]1CCCN(C(=O)C(N)=O)C1)c1cnc(C#N)cn1 1058702167 KCLJPXNSHHOVDN-JTQLQIEISA-N 302.338 -0.492 30 20 DBED C=CCCOCC(=O)N1CCOC[C@H]1CNC(=O)[C@@H](C)OC 1061366739 ALKPJJLNYMRFDH-CHWSQXEVSA-N 314.382 -0.042 30 20 DBED C#CCCCC(=O)N1CCOC[C@@H]1CNC(=O)[C@H]1CCC(=O)N1 1061416961 SBGVYJZVHCZNRC-QWHCGFSZSA-N 321.377 -0.588 30 20 DBED C=C(C)CCC(=O)NC[C@@H]1COCCN1C(=O)Cn1cncn1 1061631098 MWTTTYXOMWEUPL-CYBMUJFWSA-N 321.381 -0.022 30 20 DBED CC(C)C#CC(=O)N1CCOC[C@@H]1CNC(=O)Cn1ccnc1 1061682521 MFJLYVWWTPMAOZ-AWEZNQCLSA-N 318.377 -0.114 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)C(=O)NCC1CC1 1061824285 MEUADXPIXFUSSX-CMPLNLGQSA-N 322.365 -0.984 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)c1cc(=O)n(C)o1 1061846794 HOKLZCNSEWVUEJ-ZJUUUORDSA-N 322.321 -0.905 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)Cc1cnoc1 1061852353 YLXWOLLAICQOKY-ZYHUDNBSSA-N 306.322 -0.280 30 20 DBED C=CCOCC(=O)NC1(CNC(=O)Cn2cnnc2O)CCC1 1062831723 QQXYOQUFBXSIOA-UHFFFAOYSA-N 323.353 -0.659 30 20 DBED C[C@H]1CN(C(=O)CC(N)=O)CC[C@@H]1N=c1cc[nH]cc1C#N 1063713907 QLSRJWMEWREZPC-JQWIXIFHSA-N 301.350 -0.101 30 20 DBED C#CCCCC(=O)NC1(CNC(=O)[C@@H]2CNC(=O)N2)CCC1 1064272138 HPERYECSMTUCCO-NSHDSACASA-N 306.366 -0.374 30 20 DBED N#Cc1cnc(N2[C@H]3CCC[C@H]2CN(C(=O)CC(N)=O)C3)cn1 1064512955 KSZHCDNNKWMZQZ-RYUDHWBXSA-N 314.349 -0.207 30 20 DBED CC(C)(O)CC(=O)N1CCO[C@@H](CNC(=O)C#CC2CC2)C1 1065100531 CUYQJBCFSCLVKS-ZDUSSCGKSA-N 308.378 -0.096 30 20 DBED C#CCO[C@H](C)C(=O)N1CCO[C@@H](CNC(=O)c2ncc[nH]2)C1 1065153779 CFRXZEIHCZEGKA-NEPJUHHUSA-N 320.349 -0.595 30 20 DBED CN(C)C(=O)CC(=O)N1CCO[C@@H](CNC(=O)C#CC2CC2)C1 1065165774 UQVQRWNKPZDLPQ-ZDUSSCGKSA-N 321.377 -0.778 30 20 DBED C=CCCC1(C(=O)N2CCO[C@@H](CNC(=O)CC(N)=O)C2)CC1 1065580253 ZWCPRSGTAQUNSR-LBPRGKRZSA-N 323.393 -0.048 30 20 DBED C=CCOCC(=O)N1CCC[C@H](NC(=O)[C@H]2CCNC2=O)CC1 1066369266 NSCKYUIMFITSBJ-STQMWFEESA-N 323.393 -0.178 30 20 DBED CC1(C)CN(c2ccc(C#N)nn2)CC[C@@H]1NC(=O)C(N)=O 1067336124 FUZOAJYUVIRSQV-JTQLQIEISA-N 302.338 -0.445 30 20 DBED N#Cc1cnccc1N1C[C@@H](O)[C@H](CNC(=O)c2ncccn2)C1 1067677966 LSASGBRFODWTJK-TZMCWYRMSA-N 324.344 -0.030 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCOC2(CN(C(=O)COCC)C2)C1 1068395862 DGVSIGMSVSUFNI-ZDUSSCGKSA-N 324.377 -0.499 30 20 DBED N#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)Cc2cccnc2)C1 1069910900 NIWJJELUUOXJEE-KGLIPLIRSA-N 311.349 -0.219 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)[C@@H]2CCOC2)CCOCC1 1070025100 MTZOQZXQAYAPNZ-VXGBXAGGSA-N 309.366 -0.036 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)[C@H]2CCO[C@@H]2C)CC1 1071010430 KUKLYYZDUCKPSN-KGLIPLIRSA-N 307.394 -0.305 30 20 DBED CC(=O)NCC(=O)N1C[C@H](C)[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 1071495586 IPCNJXKHARMNSE-ZANVPECISA-N 317.349 -0.401 30 20 DBED C#CCCN1C[C@@H](NC(=O)CN2C(=O)CNC2=O)CC[C@@H]1C 1072054277 AGLIPBJBXOABEY-RYUDHWBXSA-N 306.366 -0.469 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CCN(C(=O)C2CC2)C[C@H]1C 1073890155 GBRISLDTURDXFX-YPMHNXCESA-N 305.378 -0.111 30 20 DBED Cn1cc(CCC(=O)N2CC[C@@H]3OCCN(CC#N)[C@@H]3C2)nn1 1074418982 CUTDLPIPXXVVEH-KGLIPLIRSA-N 318.381 -0.427 30 20 DBED C=CCOCCCC(=O)N1CC[C@@H](NC(=O)C(N)=O)C[C@H]1C 1075143566 BGXFZLYECOHPTI-VXGBXAGGSA-N 311.382 -0.050 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)[C@H]1CCN(C)C1 1076220318 YRWPODMNBUDZLY-STQMWFEESA-N 322.409 -0.911 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)c2cnc3[nH]c(O)nc3c2)C1 1077267823 FPFXOSQRXSYQOD-VXGBXAGGSA-N 315.333 -0.538 30 20 DBED C#CCN[C@@H]1C[C@@H](NC(=O)c2cn(C)c(=O)nc2O)C12CCC2 1078807416 WOKHPBYRDMLDRF-VXGBXAGGSA-N 316.361 -0.250 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(N(CC)C(=O)CNC(=O)NC)C1 1079919890 DJPZWFKUZAMVFW-LLVKDONJSA-N 324.381 -0.987 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)c2ccncn2)C[C@H]1O 1081335717 ORGVNUSWNXEYAH-WCQYABFASA-N 304.350 -0.008 30 20 DBED C#CCOCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)CCC=C)C1 1081337874 JSXKZDXXOHLYIN-ZIAGYGMSSA-N 308.378 -0.072 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(C(=O)c2cnsn2)C[C@H]1O 1081469656 ZKJHGTBQSYSLMX-ZYHUDNBSSA-N 320.374 -0.499 30 20 DBED C#CCNC(=O)CC(=O)N1CCCC[C@H]1CNC(=O)[C@@H](C)C#N 1082017169 SHRZFLOHDQIZND-STQMWFEESA-N 318.377 -0.217 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@@H]1CCCS(=O)(=O)C1 1082195137 ANUIGHHATQTKHE-IJLUTSLNSA-N 315.395 -0.850 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)C1 1084045754 BJJPWSDVSAKVBS-BNOWGMLFSA-N 320.393 -0.538 30 20 DBED C#CCN1C[C@H]2CC[C@H]1[C@H]1CN(C(=O)CCn3cnnn3)C[C@@H]21 1087399669 VUVVYNBWQQRRCI-QPSCCSFWSA-N 314.393 -0.135 30 20 DBED C#CCN1C[C@@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CS(C)(=O)=O)C1 1089782128 VNMJPPNXRGRBII-FQUUOJAGSA-N 310.419 -0.167 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2cccc(C(N)=O)n2)[C@H](O)C1 1090838257 CNHUHYJVZBGNRJ-BXUZGUMPSA-N 316.361 -0.631 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2ccc(C(N)=O)nc2)[C@@H](O)C1 1090852200 ODCYTUHWLYLNGS-JSGCOSHPSA-N 316.361 -0.631 30 20 DBED COC[C@@H](C)C(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1091088887 NVGMMPLPBMVRRN-JLLWLGSASA-N 305.338 -0.704 30 20 DBED CCOCC(=O)N[C@H]1CCN(c2cncc(C#N)n2)C[C@@H]1O 1092129235 OXHKVHUXYZTLNL-RYUDHWBXSA-N 305.338 -0.559 30 20 DBED C#CCN1C[C@@H](C)[C@H](CNC(=O)[C@H]2C[C@H](OC)CN2C(C)=O)C1 1092857752 NBEPESNPAYOANG-DMRZNYOFSA-N 321.421 -0.061 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1[C@@H]2CN(c3nccc(C)n3)C[C@@H]21 1093265265 BRWBPJYRNGPWTD-JYAVWHMHSA-N 313.361 -0.525 30 20 DBED CCNC(=O)CC(=O)NC1[C@H]2CN(c3ccc(C#N)nn3)C[C@H]12 1093267068 UDSGZYFKWPPUAZ-QWRGUYRKSA-N 314.349 -0.575 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCc1cn(C2CN(CCO)C2)nn1 1094320874 RRIOVDMUJCKXKG-KGLIPLIRSA-N 321.381 -0.666 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)[C@H]3CCNC(=O)C3)CC2=O)C1 1094721106 VBUINJOGFYNJHQ-NWDGAFQWSA-N 320.393 -0.900 30 20 DBED Cc1ccnn1CC(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1 1094793154 YCQZPZWRSXFBFG-GFCCVEGCSA-N 316.365 -0.884 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)c3ccc(C#C)cn3)CC2=O)C1 1094806796 ZZIRYRIUDZHSGR-CQSZACIVSA-N 322.368 -0.289 30 20 DBED N#CCN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1c(O)nnc1O)C2 1095045524 HQUWGOKAWYGICT-AEJSXWLSSA-N 306.326 -0.818 30 20 DBED CN(CCCNC(=O)CNC(=O)C1CC1)c1ccc(C#N)nn1 1095475340 CLVMBKVJQDWLEU-UHFFFAOYSA-N 316.365 -0.183 30 20 DBED CN(CCCNC(=O)c1nnn(C)n1)c1ccc(C#N)nc1 1095697953 IDDPFQCDQCXYBQ-UHFFFAOYSA-N 300.326 -0.267 30 20 DBED C[C@@H](CC(N)=O)C(=O)NCCCN(C)c1nccnc1C#N 1095704954 OOLSBCZQFUCPCA-JTQLQIEISA-N 304.354 -0.198 30 20 DBED CS(=O)(=O)CC(=O)N[C@@H]1CCN(c2ccnc(C#N)n2)C1 1096343676 TXUJXHLDHJZMHM-SECBINFHSA-N 309.351 -0.912 30 20 DBED N#CCSCC(=O)N1CC[C@H](Nc2nccn3nnnc23)C1 1096918436 TWXDDLLMHFQTDK-VIFPVBQESA-N 318.366 -0.211 30 20 DBED CC(=O)N1CC[C@H](C(=O)NC[C@@H](C)N=c2cc[nH]c(C#N)n2)C1 1097986562 CXEQAVACXWDZOF-PWSUYJOCSA-N 316.365 -0.445 30 20 DBED COCC(=O)NCCC(=O)NC[C@H](C)Nc1cncc(C#N)n1 1098329782 OCSKHEGULSIADI-JTQLQIEISA-N 320.353 -0.582 30 20 DBED CCC(=O)N[C@H](C)C(=O)N1CCC(N(CC#N)CCO)CC1 1098376614 VUAXHPHSHUVEPQ-GFCCVEGCSA-N 310.398 -0.290 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)c2cnns2)[C@H](O)C1 1099695804 OBUZFQFTPLXBOY-WDEREUQCSA-N 312.395 -0.094 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2ncoc2C)[C@H](O)C1 1099713155 UDOMGZBPSAGDFC-CHWSQXEVSA-N 307.350 -0.202 30 20 DBED Cn1nncc1CN1CC[C@H](NC(=O)C#CC(C)(C)C)[C@H](O)C1 1099828982 BRLCLSDZKJJTLJ-UONOGXRCSA-N 319.409 -0.084 30 20 DBED C#CCN1CC[C@@H](NC(=O)CNC(=O)C2CCCC2)[C@H](O)C1 1099846815 CCQFWVIDCLKZIP-ZIAGYGMSSA-N 307.394 -0.523 30 20 DBED C=CCCN1CC[C@H](NC(=O)C(C)(C)S(C)(=O)=O)[C@@H](O)C1 1100022019 GCMMMYPSGOLOML-RYUDHWBXSA-N 318.439 -0.063 30 20 DBED C#CCN1CC[C@@H](NC(=O)CCc2cn(C)nc2C)[C@H](O)C1 1100025324 VNJSBIJJJFTFBX-HUUCEWRRSA-N 304.394 -0.154 30 20 DBED C=CCCCN1CC[C@@H](NC(=O)C2CC(=O)NC(=O)C2)[C@@H](O)C1 1100029195 KLJWIJVYOJNTMI-OLZOCXBDSA-N 323.393 -0.443 30 20 DBED C#CCOCCC(=O)NCC1CC(NCc2nc(O)n[nH]2)C1 1100326467 ZUWWJZJVOLHVJN-UHFFFAOYSA-N 307.354 -0.465 30 20 DBED COCC#CCNC1CC(CNC(=O)CCc2cnn(C)n2)C1 1100682624 SXZSUNSGFUQHBQ-UHFFFAOYSA-N 319.409 -0.118 30 20 DBED N#Cc1ccc(N2CCC[C@@H]2CNC(=O)Cn2cncn2)nn1 1100833622 XCXJVXZAQJKQIG-GFCCVEGCSA-N 312.337 -0.275 30 20 DBED Cc1cc(C#N)nc(N2CC[C@H](CNC(=O)CC(N)=O)C2)n1 1100948305 MSNAXPXMOKVEBN-SNVBAGLBSA-N 302.338 -0.525 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)c1cc(C(N)=O)c[nH]1 1101728671 GXXDHSDMXSPAKE-UHFFFAOYSA-N 313.321 -0.619 30 20 DBED C[C@@H]1CN(CCS(C)(=O)=O)C[C@H]1CNC(=O)[C@H](C)C#N 1101823820 MTYROISFQYKSRP-IJLUTSLNSA-N 301.412 -0.125 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)c1cc(C(N)=O)co1 1101956096 CFFRLFSJRPERSQ-UHFFFAOYSA-N 314.305 -0.354 30 20 DBED C#CCN1C[C@@H](C)[C@H](CNC(=O)CN2C(=O)NC(C)(C)C2=O)C1 1102548132 HUBNJKNKUBSVEF-VXGBXAGGSA-N 320.393 -0.366 30 20 DBED N#Cc1cncc(N[C@H]2CC[C@H](NC(=O)CNC(N)=O)CC2)n1 1103634943 PSNNHNVGKNWIKM-MGCOHNPYSA-N 317.353 -0.144 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(c2ncccn2)CCO1 1104330632 TZDJSWNTXWQKQJ-CYBMUJFWSA-N 304.350 -0.162 30 20 DBED COC(=O)NCC(=O)N(C)[C@H](C)CNc1cnc(C#N)cn1 1104474210 OAPQTNMZENNWAS-SECBINFHSA-N 306.326 -0.037 30 20 DBED C#CCNCc1cn(C2CN(C(=O)[C@@H](C)OCCOC)C2)nn1 1105337097 RWGHQDPSCDYFDX-GFCCVEGCSA-N 321.381 -0.564 30 20 DBED COC(=O)NCC(=O)N(C)CCN(C)c1cnc(C#N)cn1 1105355893 PMEMYTKHHLQCQW-UHFFFAOYSA-N 306.326 -0.401 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](O)CNC(=O)COCC2CC2)n1 1105717760 ALBJJFVWQYUTFZ-ZDUSSCGKSA-N 319.365 -0.028 30 20 DBED Cc1cnn(CC(=O)NC[C@@H](O)CNc2ccc(C#N)nn2)c1 1105733631 XZDRKAQQHOAOPF-LBPRGKRZSA-N 315.337 -0.558 30 20 DBED C[C@@H](C(=O)NC[C@H](O)CNc1nccnc1C#N)n1cccn1 1105766796 FOSAKUHAIMGGHD-WDEREUQCSA-N 315.337 -0.305 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNc1ncnc2c1CN(C)CC2 1105771538 NOOHQNANWNLWHV-GHMZBOCLSA-N 318.381 -0.487 30 20 DBED Cc1nnc(CC(=O)NC[C@@H](O)CNc2ccc(C#N)cn2)o1 1105815371 HKSHYDCHEWIZGV-NSHDSACASA-N 316.321 -0.224 30 20 DBED CC#CCCCC(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1 1106062208 CXLAXCYSSFCGHX-LBPRGKRZSA-N 301.350 -0.147 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)[C@H]2CCCC(=O)N2)C[C@H]1C 1106294500 UQMMNAIMVOXNPF-RBSFLKMASA-N 321.421 -0.011 30 20 DBED C[C@@H](CCNc1cncc(C#N)n1)NC(=O)Cn1nccn1 1106460229 JFMWTUZJDSRNLD-JTQLQIEISA-N 300.326 -0.053 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)[C@@H]2COCCN2C(C)=O)C[C@H]1C 1107004894 QXXVUSLTEZUKDQ-BMFZPTHFSA-N 321.421 -0.059 30 20 DBED COC(=O)NCC(=O)NC/C=C\CNc1nccnc1C#N 1107057716 KEITVDWLEDDSFM-IHWYPQMZSA-N 304.310 -0.211 30 20 DBED C#CCN1CC(n2cc(CNC(=O)CN(C)CCC)nn2)C1 1107231367 IBJFJWRHFKMBSL-UHFFFAOYSA-N 304.398 -0.274 30 20 DBED C[C@H](CNc1cncc(C#N)n1)NC(=O)CNC(=O)C1CC1 1107657973 BFSIWUGKZPQMAU-SECBINFHSA-N 302.338 -0.209 30 20 DBED COc1ncc(C(=O)NC[C@]2(C)CN(CC#N)CCO2)cn1 1108320718 NXKUQGBLFXHBTB-CQSZACIVSA-N 305.338 -0.171 30 20 DBED C[C@]1(CNC(=O)CNC(=O)c2ccco2)CN(CC#N)CCO1 1108378525 JFQJUPXTRBLVHJ-HNNXBMFYSA-N 320.349 -0.260 30 20 DBED C#CCCCC(=O)N1C[C@H]2C[C@H](NCC(=O)NC(N)=O)C[C@H]1C2 1108676400 KKGVZOQPRMXCOE-RWMBFGLXSA-N 320.393 -0.046 30 20 DBED C[C@H](CN(C)c1cncc(C#N)n1)NC(=O)C[C@H]1CCNC1=O 1109114877 PQFPKBWYBNNMGK-GHMZBOCLSA-N 316.365 -0.185 30 20 DBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@]1(F)CCOC1 1109639300 STSDZWQOZKOKIE-YXMPFFBPSA-N 324.356 -0.524 30 20 DBED C[C@@H](C#N)C(=O)NC[C@]1(O)CCN(c2cnc(C#N)cn2)C1 1111041504 IWTAUQWFBRLKKQ-IINYFYTJSA-N 300.322 -0.435 30 20 DBED CN(C)CCC(=O)NC[C@]1(O)CCN(c2ccncc2C#N)C1 1111124672 QZXFRSOWSFMDTK-MRXNPFEDSA-N 317.393 -0.038 30 20 DBED CCc1nc(C#N)cc(N2C[C@H](O)[C@@H](N(C)C(=O)COC)C2)n1 1111169034 ZLLYQJDZXJJGCN-RYUDHWBXSA-N 319.365 -0.435 30 20 DBED N#Cc1c[nH]ccc1=NCCN(CCO)C(=O)c1ccnnc1 1111567488 IZGMFFPQFCQOJO-UHFFFAOYSA-N 312.333 -0.288 30 20 DBED CC(=O)NCC(=O)N1C[C@@H](C)[C@@H](Nc2cncc(C#N)n2)C1 1112295490 LUIJMGGAZIDLNZ-SKDRFNHKSA-N 302.338 -0.257 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](C)[C@@H](Nc2ncccn2)C1 1112308720 MEKHMIUMQCNBSN-NEPJUHHUSA-N 301.350 -0.125 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N1CCN(C(=O)[C@H](C)C#N)CC1 1112718062 DTQWVOVGEGMYKH-VXGBXAGGSA-N 321.381 -0.309 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)[C@@H]2CN(C)CCO2)CC1 1112740054 UXCSWVGBTKRUFY-KBPBESRZSA-N 324.425 -0.848 30 20 DBED CC(C)N1CCC[C@H]1C(=O)N1CCN(CC(=O)NCC#N)CC1 1112837338 CVNDNTYUYCPLLB-AWEZNQCLSA-N 321.425 -0.357 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)c2cn(CC)nn2)CC1 1113474425 NLYKZPXXBGFFES-GFCCVEGCSA-N 320.397 -0.254 30 20 DBED CCCS(=O)(=O)CC(=O)N1CCN(CC#CCOC)CC1 1113645759 ZTSIACXSGPBEKA-UHFFFAOYSA-N 316.423 -0.395 30 20 DBED COCC#CCN1CCN(C(=O)[C@@H]2COCCN2C(C)=O)CC1 1113651321 WZINNFGLLVEDTO-HNNXBMFYSA-N 323.393 -0.972 30 20 DBED C=CCNC(=O)NC(=O)CN1C[C@@H]2C(NC(=O)CCC)[C@H]2C1 1113785654 XXQLBQVORKVFJN-QWRGUYRKSA-N 308.382 -0.155 30 20 DBED Cn1ncnc1CN1C[C@H]2[C@H](NC(=O)CSCC#N)[C@H]2C1 1113891045 LMVMQWYQIGRIPK-IWIIMEHWSA-N 306.395 -0.382 30 20 DBED C=CCOCCN1C[C@H]2C(NC(=O)C[C@H]3CCNC3=O)[C@@H]2C1 1114398418 DSVQZMGPZVCMRH-JHJVBQTASA-N 307.394 -0.238 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)c3csnn3)[C@H]2C1 1114633029 RWBWJZLNEBKOAW-UXCLJVHYSA-N 319.390 -0.664 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3c(C)n[nH]c3C)[C@H]2C1 1114978231 QXSBHZOLYRYSMM-RYUDHWBXSA-N 315.377 -0.564 30 20 DBED C[C@@H](CN(C)C(=O)[C@H](C)NC(N)=O)N=c1cc[nH]c(C#N)n1 1115674514 JDUDAWXRSGBMJE-IUCAKERBSA-N 305.342 -0.914 30 20 DBED N#CCNC(=O)CNC(=O)NCc1ccc2c(c1)C(=O)NCC2 1117476965 CJUPATZIEOJZFZ-UHFFFAOYSA-N 315.333 -0.589 30 20 DBED N#Cc1cccc(CN2C(=O)N[C@H](CCS(N)(=O)=O)C2=O)c1 1117776948 DXDFSXQATJGXMR-LLVKDONJSA-N 322.346 -0.343 30 20 DBED C=CC1CCN(C(=O)C(=O)N2CCO[C@@H](C(=O)NC)C2)CC1 1117926189 HHAMYJAJCUHTCN-GFCCVEGCSA-N 309.366 -0.616 30 20 DBED N#Cc1nc(=N[C@@H](CO)CNC(=O)CC[C@@H]2CCCO2)cc[nH]1 1121137514 XEEDKAYPLIKFFS-NEPJUHHUSA-N 319.365 -0.382 30 20 DBED CC(C)[C@@H](C(=O)NC[C@H](CO)Nc1nccnc1C#N)N(C)C 1121840328 RMYCCRGVSNNHEY-YPMHNXCESA-N 320.397 -0.177 30 20 DBED CCC(=O)N[C@H](C)C(=O)NC[C@H](CO)Nc1cnc(C#N)cn1 1122752757 RMJIQKZYQNLLAK-MWLCHTKSSA-N 320.353 -0.848 30 20 DBED C[C@@H]1[C@@H](N=c2cc[nH]c(C#N)n2)CCN1C(=O)CCCC(N)=O 1123027592 GZDNBQVVIQBCPT-MNOVXSKESA-N 316.365 -0.173 30 20 DBED CCS(=O)(=O)NCCCNCCNC(=O)CSCC#N 1123792328 SCAHTDPWZZCHLE-UHFFFAOYSA-N 322.456 -0.722 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]cc1C#N)C(=O)c1cnsn1 1124092209 XBLIFJROYJKGIL-SNVBAGLBSA-N 318.362 -0.228 30 20 DBED CN(C[C@H](O)CNc1cnc(C#N)cn1)C(=O)[C@@H]1CCOC1 1124139791 CENNKAMHBCZWJO-ZYHUDNBSSA-N 305.338 -0.384 30 20 DBED CN(C[C@H](O)CNc1nccnc1C#N)C(=O)c1cn(C)nn1 1124295735 KNZHDKNJVTXGDZ-SECBINFHSA-N 316.325 -0.978 30 20 DBED C#CCOCCC(=O)N(C)C[C@@H](O)CNc1nccnc1C#N 1124520544 USVLOLHUKPSJHI-LBPRGKRZSA-N 317.349 -0.381 30 20 DBED C=CCOCC(=O)NCCNCC(=O)Nc1nnc(C)s1 1124765347 UMGKVDLPTZHDMO-UHFFFAOYSA-N 313.383 -0.307 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)c1ocnc1C 1125329915 HJGINHLMTHVULW-SNVBAGLBSA-N 323.353 -0.297 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)c1cc(OC)ncn1 1127475435 VMQFSRGMQCABSU-JTQLQIEISA-N 307.354 -0.505 30 20 DBED COCC#CCN1CCn2ncc(CNC(=O)[C@@H](C)OC)c2C1 1128234802 MQUWWLOXEJTGFO-CYBMUJFWSA-N 320.393 0.000 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)Cn1cc(C2CC2)cn1 1130566931 MWWCYSUYPZNYMP-GFCCVEGCSA-N 317.393 -0.396 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)COCC2CC2)CC1 1131331310 HUXHEYGRTMNUDX-UHFFFAOYSA-N 307.394 -0.303 30 20 DBED C#CCCN1CCNC(=O)CCN(C(=O)C[C@](C)(O)C=C)CC1 1131357360 RMLLBZNGAJUYDE-QGZVFWFLSA-N 321.421 -0.013 30 20 DBED C[C@@H]1CC[C@@H](NC(=O)c2ncn(C)n2)CN1CC(=O)NCC#N 1132001576 AZAUZSAJXLADJD-GHMZBOCLSA-N 319.369 -0.962 30 20 DBED C#Cc1cncc(C(=O)NCCNCC(=O)NCCOCC)c1 1133592854 DSEODGNPOZRECY-UHFFFAOYSA-N 318.377 -0.465 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)CSCC#N 1133736216 LWUZZENUXLTISJ-VXGBXAGGSA-N 310.423 -0.135 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)c1cn(CC)nn1 1135806898 LDUPBHVYNONBIE-VXGBXAGGSA-N 320.397 -0.466 30 20 DBED CC(C)C#CC(=O)N1CC2(CCN([C@@H](C)C(=O)NC(N)=O)C2)C1 1147523150 OUSMEWUPCCRQSU-LBPRGKRZSA-N 320.393 -0.237 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1cnn2ccc(C)nc12 1148173900 MFGAPFURMODKDW-UHFFFAOYSA-N 316.365 -0.341 30 20 DBED C[C@@]1(C(=O)N2CC3(CCN(CC(=O)NCC#N)C3)C2)CCOC1 1148480940 LUMMNVHXDPDFQO-OAHLLOKOSA-N 320.393 -0.413 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCCO[C@H](CNC(=O)C(C)C)C1 1149193977 DKRSLKGVHSALTL-ZIAGYGMSSA-N 309.410 -0.013 30 20 DBED CCN(CCNS(=O)(=O)CC)[C@H](C)CNC(=O)[C@@H](C)C#N 1152413341 NBOQRCXNPVDSRM-NWDGAFQWSA-N 318.443 -0.088 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)NCCCNC(=O)c1cc[nH]n1 1154902636 LNYOSDPSIDIIRA-JTQLQIEISA-N 322.369 -0.481 30 20 DBED COCC#CCNCCCNC(=O)c1ccn(CCN(C)C)n1 1158288242 SFWYWTZBYJNSPD-UHFFFAOYSA-N 321.425 -0.196 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)c1ccn(C)c(=O)c1 1161179432 PDAPNUXKTXOWRO-LBPRGKRZSA-N 320.393 -0.215 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)c1ccc(=O)n(C)c1 1161737372 WNOAQCVPSBZVPK-LBPRGKRZSA-N 318.377 -0.767 30 20 DBED CC(=O)N1CCOC[C@@H]1C(=O)NCCC1=CCN(CC#N)CC1 1161908942 RLQXWTOJTXPYQN-OAHLLOKOSA-N 320.393 -0.104 30 20 DBED COCC1(CNC(=O)[C@H](C)NC(C)=O)CCN(CC#N)CC1 1162081648 SIAPAJQBJLNNNY-LBPRGKRZSA-N 310.398 -0.121 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)[C@]1(C)CNC(=O)C1 1163089219 OACTWXOTJOHXSG-ABAIWWIYSA-N 310.398 -0.701 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)C1(C(=O)N(C)C)CC1 1170755630 HWAFBTOVKBNVSK-LBPRGKRZSA-N 322.409 -0.911 30 20 DBED C[C@H](CCCCNCC#N)NC(=O)Cn1ccc(=O)n(C)c1=O 1171122332 YXOLBAOTIMHDLY-GFCCVEGCSA-N 321.381 -0.665 30 20 DBED Cc1ccc(CC(=O)NCCCNCC(=O)NCC#N)cn1 1176161037 MEMDSJBVSMBIDK-UHFFFAOYSA-N 303.366 -0.332 30 20 DBED N#CCNC(=O)CNCCCCCCNC(=O)c1cncnc1 1178279888 JLEVSGIUMLRRDV-UHFFFAOYSA-N 318.381 -0.004 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)C(C)(C)S(C)(=O)=O)C1 1186030315 BICHEZGDPDAZDU-GFCCVEGCSA-N 316.423 -0.350 30 20 DBED C#CCNC[C@H]1CN(C(=O)[C@H]2CCC(=O)N2)CC12CCOCC2 1186299998 AXSIDUCXZIHNAY-UONOGXRCSA-N 319.405 -0.257 30 20 DBED C#CCCN[C@@H]1CCN(C(=O)CNC(=O)C2CCOCC2)C1 1186435234 HGUGJHUUTVWPBB-CQSZACIVSA-N 307.394 -0.257 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)CCc2ncccn2)C1 1186473232 RUUAIDUNVQORDH-CYBMUJFWSA-N 315.377 -0.651 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)c2cc(C(N)=O)c[nH]2)C1 1186585384 XUGYNWBNAKNHDP-LLVKDONJSA-N 319.365 -0.780 30 20 DBED CN(CCOCCO)[C@H]1CCN(C(=O)CSCC#N)C1 1188959014 MYBFVNQJVPFQSS-LBPRGKRZSA-N 301.412 -0.215 30 20 DBED C#CCCN(C)[C@@H]1CCN(C(=O)[C@@H](CCC)S(N)(=O)=O)C1 1191552329 VLVIDDTVUICPAA-CHWSQXEVSA-N 315.439 0.000 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CN(Cc2ccc(CO)cc2)C[C@H]1O 1191864172 LGZSZPPAJTVKEQ-NILFDRSVSA-N 303.362 0.000 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2n[nH]cc2F)C1 1192206625 QTBHRZGJCPNLBA-JTQLQIEISA-N 307.329 -0.556 30 20 DBED C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)[C@H](C)NC(N)=O)C1 1192468075 RKADRYLTHCIMNC-YNEHKIRRSA-N 312.414 -0.049 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@@H]1CCN(C(=O)CN(CC)CC)C1 1192947771 MQUNIZNPMLAARK-LSDHHAIUSA-N 322.453 -0.001 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)Cn2ccnc2C)C1 1198671022 ASDYUWWLTGHDPK-ZIAGYGMSSA-N 306.366 -0.997 30 20 DBED C[C@@]1(C(=O)N2CCCO[C@H](CNCC#N)C2)CCC(=O)NC1 1201225661 NGWSWFAAXVTCAP-IUODEOHRSA-N 308.382 -0.367 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CCN(C(=O)CCN(C)C)CC1 1202331444 RQXUGVMYRYDXFY-CYBMUJFWSA-N 308.426 -0.343 30 20 DBED C#CCNC(=O)[C@H](C)NC1CCN(C(=O)CCN(C)C)CC1 1202331446 RQXUGVMYRYDXFY-ZDUSSCGKSA-N 308.426 -0.343 30 20 DBED COCC#CCNC1CCN(C(=O)CCc2cnn[nH]2)CC1 1202552800 SALOPSRFAVMQMK-UHFFFAOYSA-N 305.382 -0.032 30 20 DBED CC#CCN[C@H]1C[C@H](NC(=O)CS(=O)(=O)NC)C12CCC2 1203742044 LCISITNIFFASBD-RYUDHWBXSA-N 313.423 -0.424 30 20 DBED CC#CCNCC1CCN(C(=O)CCNS(C)(=O)=O)CC1 1205418358 LEWAFNHVHZRHGX-UHFFFAOYSA-N 315.439 -0.223 30 20 DBED C[C@@H]1CN([C@H]2CCN(C)C2=O)C[C@H]1NC(=O)CSCC#N 1206095745 DNEXSJVVXKGZHL-UTUOFQBUSA-N 310.423 -0.090 30 20 DBED COCC#CCN1C[C@@H](NC(=O)c2nccnc2N)[C@H](C)C1 1206659427 KJAMNEUTEPFIMP-VXGBXAGGSA-N 303.366 -0.241 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H](NCCNS(C)(=O)=O)C1 1207694029 SCNRNWWZQJFTDB-WDEREUQCSA-N 302.400 -0.724 30 20 DBED COCC#CCN[C@H]1CCCN(C(=O)Cn2cnnc2O)C1 1207857245 VOJZASVXDZQSPS-LBPRGKRZSA-N 307.354 -0.786 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 1208747697 SHAMESOTILARKD-KSTCHIGDSA-N 320.393 -0.370 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)c2nc[nH]n2)[C@H](C)C1 1209605970 DQZOTUDGXHQADL-GMTAPVOTSA-N 306.370 -0.455 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)c2cccnn2)[C@H](C)C1 1209680226 LNXJTHFTLSLVAD-MBNYWOFBSA-N 315.377 -0.335 30 20 DBED COC[C@H](C)CC(=O)N1CCC[C@H](NCC(=O)NCC#N)C1 1210402576 KGGHIFRZQCEBQU-OLZOCXBDSA-N 310.398 -0.121 30 20 DBED C#CCN1C[C@@H](NC(=O)CNC(=O)C2CCCC2)[C@H](OC)C1 1212311834 ZGBPSPQESXLEDZ-ZIAGYGMSSA-N 307.394 -0.259 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)CCCC(=O)NC)C[C@H]1C 1214485821 BSFZGQADTILIFY-CHWSQXEVSA-N 322.409 -0.911 30 20 DBED C#CCOCCC(=O)N1C[C@@H](N[C@@H]2CCN(C)C2=O)[C@H](C)C1 1214610623 BFFFZCWRXGBDFW-MGPQQGTHSA-N 307.394 -0.307 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2ccc(F)cn2)C1 1219485354 HLBNYJWFXREFBO-OLZOCXBDSA-N 322.340 -0.702 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)C(C)(C)CN2CCOCC2)C1 1219877766 QKVKKGJCAAMJIF-KGLIPLIRSA-N 309.410 -0.861 30 20 DBED C=C[C@H](CC)CC(=O)N[C@@H]1CN(CCOCCO)C[C@@H]1O 1220198469 RPRGAMNYVYVINV-MCIONIFRSA-N 300.399 -0.241 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)CNC(=O)c2cccc(F)c2)C1 1220902507 LDVJSMUSHAOYCA-KGLIPLIRSA-N 321.352 -0.097 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(Cc2ccn(C)n2)C[C@@H]1O 1221139932 UMHAKPJTYKYTKU-KGLIPLIRSA-N 308.382 -0.326 30 20 DBED C#CCO[C@H](C)C(=O)NCC1CCN(CC(=O)NC(N)=O)CC1 1223183306 XFGYUCFCKUAACP-LLVKDONJSA-N 324.381 -0.952 30 20 DBED C=CCOCCN1CCC(CNC(=O)CNC(=O)NC)CC1 1223391095 FVHZGBNAWCTZET-UHFFFAOYSA-N 312.414 -0.054 30 20 DBED C[C@]1(C(=O)NCC2CCN(CC(=O)NCC#N)CC2)CCOC1 1224971772 MHQLRTYGMQDYGZ-INIZCTEOSA-N 322.409 -0.119 30 20 DBED CON(C)C(=O)C1CCN(C(=O)[C@@H](C)n2cnc(C#N)n2)CC1 1261212495 CCWXVDBBQOJEMZ-SNVBAGLBSA-N 320.353 -0.031 30 20 DBED CCc1nn(C)cc1NC(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1261461153 AKJIPIWZWVKXTD-AWEZNQCLSA-N 305.338 -0.202 30 20 DBED C=CCN1CCC(NC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)CC1 1261467370 GYXSYIOWZZFKLZ-INIZCTEOSA-N 320.393 -0.370 30 20 DBED C=C[C@@H](COC)NC(=O)NCCS(=O)(=O)N1CCCC1 1263143381 DCSWTSFKVMFAAT-NSHDSACASA-N 305.400 -0.088 30 20 DBED O=C(NCCN/C(O)=C1\N=CC=CC1=O)NC1(CO)CCC1 1320435952 YCUIJQBSUHQNBU-VAWYXSNFSA-N 308.338 -0.273 30 20 DBED N#Cc1cc(NC(=O)C(=O)NCCOCC(N)=O)ccc1F 1320614085 BSIQMIDSHXLVBQ-UHFFFAOYSA-N 308.269 -0.746 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N(CCO)C1CCOCC1 1324238551 FYYFOEQSNXIPFN-LLVKDONJSA-N 300.355 -0.697 30 20 DBED C=C[C@@H]1CCCCN1C(=O)C(=O)N1CCS(=O)(=O)CC1 1325907958 PCLBSKZDZMYONI-LLVKDONJSA-N 300.380 -0.190 30 20 DBED N#C[C@H]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C1 1325927368 ZEIQKYNJAZXHEL-RFQIPJPRSA-N 320.393 -0.226 30 20 DBED N#CCN1CCC(NC(=O)C(=O)NCCCCCCN)CC1 1326238551 BSPUSAGBUUZJEG-UHFFFAOYSA-N 309.414 -0.274 30 20 DBED COC(=O)[C@H]1C[C@@H](O)CN(C(=O)C(=O)N2CCC(C#N)CC2)C1 1326249144 NMUFHYKTUMQSRG-NWDGAFQWSA-N 323.349 -0.869 30 20 DBED C=CCN(C(=O)C(=O)N1C[C@@H](O)C[C@H](C(=O)OC)C1)C1CC1 1326263031 CRIIXHAXGAXXFP-JQWIXIFHSA-N 310.350 -0.454 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCC(=O)NCC1CC1 1327751627 GTVZGLKIRRDLCC-OCCSQVGLSA-N 323.393 -0.274 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)NCCn2cccc2)CCN1C1CC1 1329995672 MVYHWDOXSIOMKS-CQSZACIVSA-N 315.377 -0.197 30 20 DBED C[C@H](CO)CCCNC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1330418327 NHGFPCDDWDTKEM-GXTWGEPZSA-N 322.409 -0.290 30 20 DBED Cn1c(S)nnc1CCNC(=O)N1CC[C@](O)(CC#N)C1 1330715256 LWGJPTDSONFVDK-GFCCVEGCSA-N 310.383 -0.294 30 20 DBED CNC(=O)[C@@H](C)CN(C)C(=O)CCN/C(O)=C1\N=CC=CC1=O 1330777118 LWOZGPMDNOELCG-FIKMJJSBSA-N 322.365 -0.257 30 20 DBED N#C[C@@]1(F)CCN(C(=O)C(=O)N2CC[C@@H](C3OCCO3)C2)C1 1335045714 KGGSMBAMSCARRH-YGRLFVJLSA-N 311.313 -0.328 30 20 DBED CCOC(=O)c1nn(C)cc1C=NNCCS(C)(=O)=O 1338164450 UAVKLPDOFSCOTF-UHFFFAOYSA-N 302.356 -0.435 30 20 DBED C#CCN(C(=O)C(=O)N1CCN(CC(=O)N(C)C)CC1)C(C)C 1338209019 RNRKJVPNJFFBPR-UHFFFAOYSA-N 322.409 -0.911 30 20 DBED COCCOCCCNC(=O)C(=O)N1CC[C@](F)(C#N)C1 1340265355 NEVZFCCSLRGHSE-ZDUSSCGKSA-N 301.318 -0.380 30 20 DBED C#CCSCCNC(=O)C(=O)N1CC(OCCOCC)C1 1342539884 KFDCKJKRPPUCCQ-UHFFFAOYSA-N 314.407 -0.267 30 20 DBED C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@H](CO)NC(N)=O 1346043027 HSMQCUDPQCGFMQ-LBPRGKRZSA-N 311.338 -0.294 30 20 DBED N#CCNC(=O)CNS(=O)(=O)c1ccc(CC(=O)O)cc1 1349509380 HGKUHTHAAWFXGT-UHFFFAOYSA-N 311.319 -0.768 30 20 DBED CCOC(=O)C[C@H](C)NC(=O)Cn1cc(C#N)c(O)nc1=O 1362497468 VRDNQRANQWQFHS-QMMMGPOBSA-N 308.294 -0.722 30 20 DBED CCOC(=O)C1(S(=O)(=O)N2CC(O)(CC#N)C2)CCC1 1363961959 CLXMSEYBJRCGNJ-UHFFFAOYSA-N 302.352 -0.238 30 20 DBED CS(=O)(=O)Cc1noc(CN2CCN(CCC#N)CC2)n1 1364786614 XISUMLNCGPNQMT-UHFFFAOYSA-N 313.383 -0.355 30 20 DBED CS[C@@H](C)CNC(=O)NCCn1cc(C#N)c(O)nc1=O 1369009129 ORFDOQGIRTXJHA-QMMMGPOBSA-N 311.367 -0.129 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)CCS(C)(=O)=O)C1 1372284633 ZGDKGKJZSRHJEN-UWVGGRQHSA-N 301.368 -0.702 30 20 DBED C[C@H](C#N)C(=O)NCC1(NCC(=O)Nc2nncs2)CC1 1375405034 SLXCLTITFNDAEN-MRVPVSSYSA-N 308.367 -0.125 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C[C@H](O)Cn1cccn1)C1CC1 1377521028 XIKFNHCXMGQHEK-JSGCOSHPSA-N 305.382 -0.016 30 20 DBED C[C@H](C#N)C(=O)N1CC(CNC(=O)COCc2nncn2C)C1 1387925658 FHQVUSQMZZYSQO-SNVBAGLBSA-N 320.353 -0.934 30 20 DBED COCC1(C(=O)N2CC(NC(=O)[C@@H](C)C#N)C2)CCOCC1 1398678725 DLZLODYRRAUEOG-NSHDSACASA-N 309.366 -0.084 30 20 DBED COc1cccc(C(=O)NC[C@@H](O)CNC(=O)[C@@H](C)C#N)n1 1399871115 NQBDRXPMVRLRBF-UWVGGRQHSA-N 306.322 -0.543 30 20 DBED N#CCc1ccccc1CC(=O)N1C[C@@H](C(N)=O)[C@@H](C(N)=O)C1 1412399503 LDVFRZZFRQECGE-BETUJISGSA-N 314.345 -0.660 30 20 DBED CNC(=O)NC1CCN(S(=O)(=O)N(C)C[C@H](C)C#N)CC1 1414280383 AFUPZLOIOPHRTD-SNVBAGLBSA-N 317.415 -0.284 30 20 DBED CCN1CCOC[C@@H]1C(=O)N(CCNC(=O)[C@@H](C)C#N)C1CC1 1415883570 RDWDTUQJUVPSSD-GXTWGEPZSA-N 322.409 -0.026 30 20 DBED CCc1nc(C#N)cc(N(C)CCNC(=O)Cc2nc[nH]n2)n1 1417679404 SCPCMCHKTDIZCF-UHFFFAOYSA-N 314.353 -0.176 30 20 DBED N#Cc1cn(CC(=O)N2C[C@H]3CC[C@@H](O)[C@H]3C2)c(=O)nc1O 1419657388 ISFATWGBTFYHLA-DVVUODLYSA-N 304.306 -0.950 30 20 DBED C=C(Cl)CNC[C@H](O)CN(C)C(=O)c1nnn(C)c1C 1425982390 AUFGPVLHDDGPAZ-JTQLQIEISA-N 301.778 -0.101 30 20 DBED COCCN(CCNC(=O)[C@H](C)C#N)C(=O)[C@H]1CCC(=O)N1C 1428426812 VTJKHDDLMKKXIO-VXGBXAGGSA-N 324.381 -0.642 30 20 DBED CC(=O)NCC(=O)N(C)C[C@@H]1CCN1C(=O)c1cc(C#N)c[nH]1 1445740430 WLQUIQAYCVDAPV-LBPRGKRZSA-N 317.349 -0.305 30 20 DBED C[C@H](C#N)C(=O)N(C)CCCN(C)CCNS(C)(=O)=O 1447327609 NGSXMXBHHCNZMS-LLVKDONJSA-N 304.416 -0.524 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)CCn2cccn2)C1 1452737232 ZIIOYUYAJSWYLA-TUAOUCFPSA-N 305.338 -0.879 30 20 DBED C[C@@H](CNC(=O)c1cc(=O)n(C)cn1)N(C)C(=O)[C@H](C)C#N 1486910212 WTMZYZJVSNPOFE-ZJUUUORDSA-N 305.338 -0.483 30 20 DBED N#CCNC(=O)CN1CC[C@@H](NC(=O)CCCN2CCCC2)C1 1490579807 WWAKBPNXXFRBBN-CQSZACIVSA-N 321.425 -0.307 30 20 DBED C=C(Cl)CN[C@H](C)CCNC(=O)Cn1cnc(C(N)=O)n1 1492026798 ALPFSSXEANGERU-SECBINFHSA-N 314.777 -0.386 30 20 DBED C[C@H](CCNC(=O)c1ccc2nnnn2c1)NC(=O)[C@H](C)C#N 1495595264 STEQFJGUAJCPMH-NXEZZACHSA-N 315.337 -0.091 30 20 DBED C[C@@H](C#N)C(=O)NCC1CN(C(=O)COC[C@@H]2CCCO2)C1 1498677485 KHVVKKPAZBOAAG-AAEUAGOBSA-N 309.366 -0.084 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)CN1CCCCCC1=O 1501606073 YHACZKXAQFWDCF-RYUDHWBXSA-N 324.381 -0.858 30 20 DBED Cn1cnc(C(=O)NCC2(NC(=O)c3cc(C#N)c[nH]3)CC2)n1 1506038928 SJMLPQGAXFBZGP-UHFFFAOYSA-N 313.321 -0.293 30 20 DBED COCCN(CCNC(=O)[C@H](C)C#N)C(=O)[C@H]1CC(=O)N(C)C1 1511865840 DWSXKNXGUHPLCJ-NEPJUHHUSA-N 324.381 -0.784 30 20 DBED Cc1nnc(N2CCO[C@H](C#N)C2)n1C[C@@]1(O)CCO[C@H]1C 1543339102 FUFBYQKUYKIBDI-SUHUHFCYSA-N 307.354 -0.145 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)N[C@H]2CCO[C@H]2C(=O)O)cc1 1571131145 VCTYWTYIELZPMI-WCQYABFASA-N 317.301 -0.354 30 20 DBED N#CCC(=O)N1CCN(C(=O)c2coc(-c3nn[nH]n3)c2)CC1 1581857055 OBXKOEGAZUTCLM-UHFFFAOYSA-N 315.293 -0.342 30 20 DBED C=C(C)CN1CC(O)(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1588430186 NMHSHCWAHXLCNQ-UHFFFAOYSA-N 317.353 -0.453 30 20 DBED COC(=O)CC1(CS(=O)(=O)N(CC#N)CCC(=O)O)CC1 1598842167 BFBQSOMBSWEXLI-UHFFFAOYSA-N 318.351 -0.040 30 20 DBED C#CC[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)CC)C1)C(=O)O 1602685540 WXFUSKPZHQGMMV-MNOVXSKESA-N 316.379 -0.359 30 20 DBED C#CCNC(=O)C1CCN([C@@H]2CCN(CCC(=O)O)C2=O)CC1 1602720513 WHWNVKSKRGLACV-CYBMUJFWSA-N 321.377 -0.477 30 20 DBED C[C@H]1CN(C(=O)Cn2cc(C#N)c(O)nc2=O)CC[C@@H]1C(=O)O 1603443680 YTKGJCPTIFSNGY-WPRPVWTQSA-N 320.305 -0.610 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@H]1CCC[C@@H]1C(=O)O 1606885025 XREXFAXEQGXTTP-QWRGUYRKSA-N 319.383 -0.064 30 20 DBED O=C(COc1ccccc1-c1nn[nH]n1)N[C@@H]1CCN(O)C1=O 1609532766 WJAVANSOSICCIQ-SECBINFHSA-N 318.293 -0.648 30 20 DBED CC#CCNC[C@H]1CCCN1C(=O)Cn1ccc(=O)n(C)c1=O 1733340363 KUKZYSLOJLLRLD-CYBMUJFWSA-N 318.377 -0.849 30 20 DBED C[C@@H](NCC#N)[C@H]1CCCCN1C(=O)Cn1ncn(C)c1=O 1752141017 BTPNILYMGZCGDA-VXGBXAGGSA-N 306.370 -0.535 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@H]1C[C@@H](NC(=O)c2n[nH]c(C)c2O)C1 1752753133 XZSHTPMAEQQAKJ-MXWKQRLJSA-N 321.381 -0.035 30 20 DBED C#CCNC[C@@H]1CCCN(C(=O)[C@H](C)N2C(=O)CCC2=O)C1 1752798485 AVJQADMKVWJTPE-STQMWFEESA-N 305.378 -0.015 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H](C)CNC(=O)CN1CCCCC1=O 1752884706 GGVNYWRKUKTQMO-CHWSQXEVSA-N 322.409 -0.769 30 20 DBED C#CCO[C@H](C)C(=O)NCCN(C)Cc1nnc2n1CCOC2 1753048795 FKGGUFOSQJJBIZ-GFCCVEGCSA-N 321.381 -0.605 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC[C@H]1CNC(=O)C(C)(C)C(N)=O 1753105259 ASOXSNBJPKDXHV-RYUDHWBXSA-N 322.409 -0.784 30 20 DBED CN(CCN1CCN(CC#N)CC1)C(=O)[C@H]1CC[C@@H]1C(N)=O 1753341829 DILPZYMCXJCUNI-STQMWFEESA-N 307.398 -0.903 30 20 DBED CC[C@H](C)[C@H](NC(C)=O)C(=O)NC1CN(CC#CCOC)C1 1753395713 RGGFMUVXPRRHAA-WFASDCNBSA-N 309.410 -0.013 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC(CNC(=O)C2(C(=O)NC)CC2)C1 1753412612 PVNLVWITOUNSAO-LLVKDONJSA-N 322.409 -0.749 30 20 DBED C#CCNC(=O)CNC[C@@H](C)N(C)C(=O)[C@H](NC(C)=O)C(C)C 1753721129 MMXKKJCDBCEBLK-IUODEOHRSA-N 324.425 -0.667 30 20 DBED C=CCNC(=O)NC(=O)CNCC[C@H](C)NC(=O)c1ncc[nH]1 1753963179 GKLUNVHWNVVOQX-JTQLQIEISA-N 322.369 -0.481 30 20 DBED C=C(Br)CNC/C=C\CNC(=O)[C@@H]1CNC(=O)N1 1754164488 MDPYCTJZTYZLHH-XADBCAIWSA-N 317.187 -0.162 30 20 DBED C#CCNC(=O)CNC[C@H](NC(=O)c1cc[n+]([O-])cc1)C1CC1 1754435080 IRZPYLSWUIENLK-AWEZNQCLSA-N 316.361 -0.833 30 20 DBED CC#CCN[C@@]1(CO)CCCN(C(=O)CCC(=O)NCC)C1 1755082683 ZXAHZXYOHFXHDO-INIZCTEOSA-N 309.410 -0.131 30 20 DBED Cc1ncncc1C(=O)N1C[C@@H](C)[C@@H](NCC(=O)NCC#N)C1 1755102845 CDDWOBJSBPMHRV-MFKMUULPSA-N 316.365 -0.525 30 20 DBED C#CCN1CCN(CCCCCNC(=O)[C@@H]2COC(=O)N2)CC1 1755172963 BYZXLTCTTRCNHW-AWEZNQCLSA-N 322.409 -0.368 30 20 DBED N#CCNC(=O)CN[C@@H](CO)CNC(=O)Cc1cccc(F)c1 1755647061 WWVWDIPZTVOVIW-CYBMUJFWSA-N 322.340 -0.925 30 20 DBED C#CCN(C)C[C@@H](O)CN(C)C(=O)c1cnc2[nH]c(O)nc2c1 1755802501 WILRDRZWHQJIGU-LLVKDONJSA-N 317.349 -0.339 30 20 DBED C[C@@H](CNC(=O)[C@H](C)C#N)N(C)C(=O)CCN1C(=O)CCC1=O 1756063339 JPFFBTSYBHSHTP-MNOVXSKESA-N 322.365 -0.352 30 20 DBED COC1(CC(=O)NC[C@@H](CO)NC(=O)C#CC2CC2)CCC1 1756515821 QBUQVMTVMYHPKT-ZDUSSCGKSA-N 308.378 -0.048 30 20 DBED C=CCn1cc(C(=O)NC[C@H](CO)NC(=O)C(C)(C)F)nn1 1756522475 KJKZWNZUHAVCLJ-SECBINFHSA-N 313.333 -0.581 30 20 DBED C=C1CCC(C(=O)NC[C@H](CO)NC(=O)Cn2cncn2)CC1 1756547450 HCRUYKICMKRCND-CYBMUJFWSA-N 321.381 -0.382 30 20 DBED C#CCOCCC(=O)N[C@@H]1C[C@H](C)N(C(=O)c2[nH]nnc2C)C1 1756598205 NNGHLARQQWLPPF-CMPLNLGQSA-N 319.365 -0.128 30 20 DBED Cc1nonc1CC(=O)N(C)C[C@@H](O)CNC(=O)C#CC(C)C 1756676433 QKJSUKZQDIGTSS-LBPRGKRZSA-N 322.365 -0.485 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@H](NC(=O)CCCC(=O)NC)C1 1756998953 VLAVKJQTJCVRHI-VXGBXAGGSA-N 311.382 -0.443 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H]1CCN(C(=O)CCNC(N)=O)[C@@H]1C 1757512404 ZMLBZHGFVJDXIH-UTUOFQBUSA-N 324.381 -0.811 30 20 DBED CC[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)S 1800981559 NTTOHVUBYBPCFN-RMPHRYRLSA-N 316.423 -0.335 30 20 DBED NCC(=O)N[C@@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825665072 UYBMKBRGNCSFAZ-SSDOTTSWSA-N 322.346 -0.898 30 20 DBED C#CC(=O)N1CC2(CCCN2C(=O)c2cccc(=O)n2O)C1 1842212659 VPJGURBXFYAZBQ-UHFFFAOYSA-N 301.302 -0.464 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)CNC(N)=O)C1 1847105906 RUSHOFAOYLVAFO-NSHDSACASA-N 324.381 -0.551 30 20 DBED C#CCN(CC)C(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 56358659 UCCVBEWMFXHDOB-UHFFFAOYSA-N 317.349 -0.695 30 20 DBED N#C[C@@H]1CN(CC(=O)N2CCN(C(=O)C3CC3)CC2)CCO1 106307574 AIFXBMLWUAHHTE-CYBMUJFWSA-N 306.366 -0.708 30 20 DBED C=CCCCOC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 117992930 CITJSXNBGUITLN-UHFFFAOYSA-N 306.322 -0.057 30 20 DBED C[C@@H](Nc1c(C#N)c(=O)n(C)c(=O)n1C)[C@H]1CN(C)CCO1 154853106 SHMFSVKFHBDRFK-MWLCHTKSSA-N 307.354 -0.913 30 20 DBED CC[C@@H](CC#N)OC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 187996486 UUCUAUHFMSCRLN-VIFPVBQESA-N 319.321 -0.331 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCCO[C@@H](C)C2)C1=O 263867929 ZZSHJXOBCJNKBH-JTQLQIEISA-N 309.322 -0.399 30 20 DBED COCCNC(=O)C/N=C(\N)NCc1ccc(OC)c(OC)c1 264134665 UXODPDZTVUOHFT-UHFFFAOYSA-N 324.381 -0.129 30 20 DBED Cn1c(N[C@H]2CCCC[C@H]2C(N)=O)c(C#N)c(=O)n(C)c1=O 268468529 MCKGJBBCWSLLEQ-SCZZXKLOSA-N 305.338 -0.588 30 20 DBED CNC(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 285406081 ZULDNTDRRAWBHH-GFCCVEGCSA-N 300.318 -0.084 30 20 DBED CN(C)S(=O)(=O)CCNS(=O)(=O)c1ccc(C#N)o1 289456601 GKWGIUQQJVUPBS-UHFFFAOYSA-N 307.353 -0.679 30 20 DBED Cc1cnn(C[C@@H]2CN(/C(O)=N/Cc3nnn(C)n3)CCO2)c1 330225390 OCRFNOKYJIYTSB-NSHDSACASA-N 320.357 -0.470 30 20 DBED CCN1CCC[C@H](CN/C(O)=N/CCNS(C)(=O)=O)C1 330435277 YFXVSTUCFDHNAM-LLVKDONJSA-N 306.432 -0.229 30 20 DBED CNS(=O)(=O)c1cccc(S(=O)(=O)N[C@@H](C)C#N)c1 330440394 DBGBREXVTLHMOT-QMMMGPOBSA-N 303.365 -0.215 30 20 DBED Cc1onc(CC(=O)N2CCN(C(=O)[C@H](C)O)CC2)c1C#N 330764439 PQRAWRQAWLXCNU-VIFPVBQESA-N 306.322 -0.551 30 20 DBED CN(CC(=O)N1CC(O)C1)S(=O)(=O)c1ccc(C#N)cc1 331940373 XSESNHDVXCICFT-UHFFFAOYSA-N 309.347 -0.618 30 20 DBED CCN1CCCN(S(=O)(=O)N2CCO[C@H](C#N)C2)CC1=O 337169694 DSVMSBFPEGIHLY-LLVKDONJSA-N 316.383 -0.990 30 20 DBED C=CCNC(=O)NC(=O)CN1CCC[C@H](S(C)(=O)=O)CC1 337425026 WIDMWTFWNJQHEU-NSHDSACASA-N 317.411 -0.103 30 20 DBED CN(C)CCn1nnnc1SCC(=O)NC1(C#N)CCC1 343810436 CSCYYZCJBWHALY-UHFFFAOYSA-N 309.399 -0.111 30 20 DBED N#Cc1ccc(NCC(=O)NCCC(=O)N2CCOCC2)nc1 345551643 HTNNHFUEAOTKHG-UHFFFAOYSA-N 317.349 -0.270 30 20 DBED C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)NCC#N)C[C@@H]1C 349510119 OJTOYWYDHYOXPL-PHIMTYICSA-N 323.440 -0.263 30 20 DBED CC(C)N1CC[C@@H](NS(=O)(=O)N(C)C[C@@H](C)C#N)C1=O 407956005 KXQWMDUDQPKTLL-WDEREUQCSA-N 302.400 -0.078 30 20 DBED COCCNC(=O)[C@H](CC(C)C)NS(=O)(=O)[C@H](C)C#N 416436939 FOJXCUAACWLQJB-MNOVXSKESA-N 305.400 -0.005 30 20 DBED C=CCCn1cc(C(=O)N(CCNC(C)=O)[C@H](C)C(=O)O)nn1 424223185 HFBWHYVUKPSDRL-SNVBAGLBSA-N 323.353 -0.094 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2[C@H]3CCNC[C@H]2CC3)nn1 424541832 HWEPWCUQVDSOHW-CHWSQXEVSA-N 318.381 -0.567 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)C(=O)N(C)CC(=C)C)CC1 459886590 ORQHXQCCTCXALV-UHFFFAOYSA-N 322.409 -0.533 30 20 DBED CNC(=O)[C@H](CO)NS(=O)(=O)c1ccc(C#N)c(F)c1 489631343 SDGWSPUTNDFIIX-JTQLQIEISA-N 301.299 -0.917 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC(N(C)S(=O)(=O)CC)CC1 490866130 MYRDIQDEBXHDBZ-GFCCVEGCSA-N 315.439 -0.130 30 20 DBED C#C[C@H](CC)NC(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 491229095 DUXHKCHTHCADNK-MNOVXSKESA-N 315.395 -0.609 30 20 DBED C#CCNC(=O)c1ccc(N[C@H]2CCN(S(C)(=O)=O)C2)nc1 491782865 OJZOMJSIHRZEJD-LBPRGKRZSA-N 322.390 -0.110 30 20 DBED C=CCOC[C@H](NS(=O)(=O)CC1CCOCC1)C(=O)O 567807944 ATMOPVVFCBDALI-NSHDSACASA-N 307.368 -0.012 30 20 DBED C[C@H](NS(=O)(=O)N1CCO[C@H](C#N)C1)[C@@H]1CCCOC1 572137106 ZFNQAYFKRLZRFP-QJPTWQEYSA-N 303.384 -0.140 30 20 DBED N#Cc1cc(O)cc(C(=O)NCCCN2CCNC(=O)C2)c1 589195650 AKOMJFXRQCUELJ-UHFFFAOYSA-N 302.334 -0.184 30 20 DBED Cc1c(C#N)cccc1NC(=O)C(=O)NC[C@@H]1COCCN1 599900159 RYFXRTXKOFGSOO-GFCCVEGCSA-N 302.334 -0.090 30 20 DBED COC(=O)COCCNC(=O)CNC(=O)c1ccc(C#N)cc1 600392630 AMLSEVCOCMAFAR-UHFFFAOYSA-N 319.317 -0.406 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)COC[C@@H]1CCCO1 733593469 NDHPXJIWYZSLJQ-JTQLQIEISA-N 300.311 -0.263 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCc2cccc(F)n2)C1=O 749089065 YEDDNOPCXISPPR-UHFFFAOYSA-N 320.280 -0.186 30 20 DBED COC[C@H](C#N)OC(=O)CNS(=O)(=O)c1cn(C)c(C)n1 785282235 AOCRRWXOZFYMCU-VIFPVBQESA-N 316.339 -0.911 30 20 DBED Cc1ccc(S(=O)(=O)NCC(=O)NCC#N)c(Cl)n1 796218636 WHWNDVQTDMIXRU-UHFFFAOYSA-N 302.743 -0.039 30 20 DBED CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NCC1(CC#N)CC1 797563656 VMZZGFKIQUENOF-GFCCVEGCSA-N 306.366 -0.076 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1CC(O)(C(C)C)C1 800125227 GHAQICGAMYUTKN-UHFFFAOYSA-N 305.400 -0.204 30 20 DBED O=C(O)CNN=C1C(=O)Nc2cc(N3CCOCC3)ccc21 814959257 WZBJYBATOJHGBB-UHFFFAOYSA-N 304.306 -0.146 30 20 DBED Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nn1c(O)nnc1O 816732338 CDHJOKLDXQEQLY-UHFFFAOYSA-N 318.293 -0.019 30 20 DBED Cn1ccnc(NN=Cc2cn(C[C@@H]3CCCO3)nn2)c1=O 872355081 ODOQXLZXYXCDRL-NSHDSACASA-N 303.326 -0.003 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1C[C@H]2CC[C@H]1[C@H](O)C2 885816946 PQXQASMCHDKZCO-RWMBFGLXSA-N 317.411 -0.062 30 20 DBED C#CCSCC(=O)N1CCN(C(=O)C(=O)NC(C)C)CC1 895501135 RUUKCCWDVNTPOO-UHFFFAOYSA-N 311.407 -0.452 30 20 DBED C#Cc1ccc(C(=O)N(C)[C@@H]2CCN(C(=O)CC(N)=O)C2)cn1 936954792 HIUYTZPLBCVUTL-CYBMUJFWSA-N 314.345 -0.389 30 20 DBED CN1CCO[C@@H](C(=O)NC[C@H]2CCN2C(=O)C#CC2CC2)C1 949238744 MCOCSEIIXZLQAI-ZIAGYGMSSA-N 305.378 -0.553 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H](NC(=O)c2cc(C(N)=O)c[nH]2)C1 951868479 TUQSEFQICUEPPI-KOLCDFICSA-N 317.349 -0.006 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H](NC(=O)c2cnn(C)c2N)C1 951868792 WOGRECHCEOWZIP-NXEZZACHSA-N 304.354 -0.117 30 20 DBED COCC(=O)N1CC[C@H](N2CCN(C(=O)C#CC3CC3)CC2)C1 956593217 XOLUPIBZQOBYDY-HNNXBMFYSA-N 319.405 -0.209 30 20 DBED C#CCCN1C[C@@H](O)[C@H](CNC(=O)c2nc(C)c(C)nc2O)C1 958179386 MAGIVVYCJRWCGC-CHWSQXEVSA-N 318.377 -0.155 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@@H](CNC(=O)c2nnc(O)nc2O)C1 958224068 SJJCKYTUONTFOZ-VHSXEESVSA-N 323.353 -0.729 30 20 DBED NC(=O)C(=O)NC1[C@H]2CN(CC#Cc3ccc(F)cc3)C[C@H]12 961637405 KEDNCBPQLRBIDW-STQMWFEESA-N 301.321 -0.291 30 20 DBED C=C(C)CCN1C[C@H]2[C@H](NC(=O)Cn3nc(C)n(C)c3=O)[C@H]2C1 962433810 ZKDCLMYQJIFHID-NHAGDIPZSA-N 319.409 -0.097 30 20 DBED C#CCNC1CCC(N(C)C(=O)CN2CCNC(=O)C2)CC1 963787520 GIDMBSVVQVUALI-UHFFFAOYSA-N 306.410 -0.589 30 20 DBED O=C(C#CC1CC1)N1C[C@H](O)[C@H](NC(=O)[C@@]23COC[C@@H]2C3)C1 965850799 AKZYQNOBCKPSQW-ZWUHOBOKSA-N 304.346 -0.876 30 20 DBED C#CCN1CC[C@@H](C)[C@H](NC(=O)c2cn(CCOC)nn2)C1 966000107 JWKSLMQZBUGOKZ-CHWSQXEVSA-N 305.382 -0.002 30 20 DBED CCN(C(=O)c1c[nH]c(C(N)=O)c1)C1CN(C(=O)[C@H](C)C#N)C1 967987924 GQNVXBPYWSOBLF-SECBINFHSA-N 317.349 -0.054 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@@H](N[C@H]3CCCNC3=O)C2)c1 968341379 OLZSXGURGQUIJG-NEPJUHHUSA-N 301.350 -0.031 30 20 DBED C=C1CC(C)(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@@H]3CCC(=O)N3)C2)C1 969364014 CCEPOZLIBRCJTO-TUAOUCFPSA-N 321.377 -0.691 30 20 DBED C=CCN1CCO[C@@]2(CCN(C(=O)C3CN(C(C)=O)C3)C2)C1 972357494 KUYAHTAMZWIEBR-INIZCTEOSA-N 307.394 -0.046 30 20 DBED C=CCN(C)[C@@H]1CCN(C(=O)Cn2ncn3nccc3c2=O)C1 972470885 ANOLHKULEJVHGS-GFCCVEGCSA-N 316.365 -0.390 30 20 DBED O=C1CC[C@H](C(=O)N[C@H]2[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]32)N1 976266930 PGMRITBJZQQEBK-ZAZJYDDPSA-N 301.346 -0.749 30 20 DBED C#CCN1C[C@@H]2C(CNC(=O)c3ccc(S(N)(=O)=O)o3)[C@H]2C1 978431123 VNHUQVMQPGHRNY-GHMZBOCLSA-N 323.374 -0.532 30 20 DBED C=CCCN1C[C@@H]2C(CNC(=O)c3cnc(O)n(C)c3=O)[C@H]2C1 978599423 QUTNUYWQMKHADF-CHWSQXEVSA-N 318.377 -0.030 30 20 DBED C#CCN(C)[C@@H]1CCN(C(=O)CN2C(=O)NC(C)(C)C2=O)C1 980323510 XAIFDQTXVLTIGD-LLVKDONJSA-N 306.366 -0.517 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCCN(CC(N)=O)[C@H]2C)nn1 993947447 HFRIFNBYTHUSFE-QWRGUYRKSA-N 306.370 -0.468 30 20 DBED Cc1nonc1C(=O)NC1CN(C(=O)c2ccc(C#N)[nH]2)C1 994939100 OUMSLGAIXOCCDF-UHFFFAOYSA-N 300.278 -0.168 30 20 DBED C#CCN1CC[C@H](n2cc(CNC(=O)c3ccncn3)nn2)C1 1000031357 YCLWQSGMNCSINI-ZDUSSCGKSA-N 311.349 -0.122 30 20 DBED C#CCN[C@H]1CCCN(C(=O)C2(n3cnnn3)CCOCC2)C1 1000433691 ROPSOJNXKNOXRQ-ZDUSSCGKSA-N 318.381 -0.607 30 20 DBED C[C@]1(C(=O)NC2[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]23)CNC(=O)C1 1013437733 YSDCJHNYWAPCHP-PSTGCABASA-N 315.373 -0.501 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2C(NC(=O)c3c[nH]c(=O)cn3)[C@H]2C1 1013670727 BEKCZBBPMKCBGH-VGMNWLOBSA-N 301.306 -0.884 30 20 DBED CC#CCN1CC[C@H](NC(=O)[C@H]2CCc3nnc(O)n3C2)C1 1014996026 LLXHVJQLUOQRQH-RYUDHWBXSA-N 303.366 -0.240 30 20 DBED C=CCN1CC[C@H](N2CC[C@@H](NC(=O)Cc3cnc[nH]3)C2)C1=O 1015766520 YUJFHIGSOPKMDW-OCCSQVGLSA-N 317.393 -0.070 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCN([C@@H](C)C(=O)NC)C2)nn1 1015811117 ZTKKZGCCRUWXJS-QWRGUYRKSA-N 306.370 -0.597 30 20 DBED C=CCN1CCC2(CC1)C[C@H]2NC(=O)[C@@H]1CCS(=O)(=O)N1 1016978362 HODHEBWZAFSNLM-NWDGAFQWSA-N 313.423 -0.165 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@H](N[C@@H]2CCNC2=O)C1 1018986351 ZLDCRLKXXFCUCR-MJBXVCDLSA-N 304.394 -0.837 30 20 DBED N#CCN[C@H]1CCN(C(=O)c2ccccc2OCC(N)=O)C1 1019116502 BTPPJFKDLWNOEC-NSHDSACASA-N 302.334 -0.122 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCN(C(=O)[C@H]3CCC(=O)NC3)C2)C1 1019367115 QEHWIFCNTBDLJK-NEPJUHHUSA-N 318.377 -0.267 30 20 DBED C=CCN1[C@H]2CC[C@H]1CC(NC(=O)CN1C(=O)CNC1=O)C2 1021454806 YSSALKCGBBKRPB-RYUDHWBXSA-N 306.366 -0.164 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCN(C)C2)C1 1023787551 LQKAEKAKCRGVDV-JHJVBQTASA-N 309.410 -0.162 30 20 DBED COCc1nocc1C(=O)N[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1O 1024691904 PNXNJHQKOLCVID-HLUHBDAQSA-N 322.321 -0.718 30 20 DBED C=CCn1cc(C(=O)N[C@H](C)[C@@H]2CCCN(CC(N)=O)C2)nn1 1025554506 FVBITYWPCHLYAM-VXGBXAGGSA-N 320.397 -0.220 30 20 DBED C=C(C)CN1CC(NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 1030765827 MUXGVSVOZNDQAV-UHFFFAOYSA-N 302.342 -0.316 30 20 DBED C=CCCN1CCCC[C@H](NC(=O)CN2CCNC(=O)C2)C1 1034345385 NOHHCXLVSRXCQG-AWEZNQCLSA-N 308.426 -0.035 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)c2cc(C(N)=O)ccn2)C1 1035625070 LWVHNIWINZKQOA-LBPRGKRZSA-N 302.334 -0.756 30 20 DBED C#CCCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)CN1C(=O)CC(C)(C)C1=O 1037420646 UCSZTMNOSBDQPM-TYNCELHUSA-N 317.389 -0.016 30 20 DBED O=C(C#CC1CC1)NC[C@@]1(O)CCN(C(=O)Cc2cnoc2)C1 1039685529 PBABFHADAOJFRS-INIZCTEOSA-N 317.345 -0.290 30 20 DBED C[C@H]1CCN(C(=O)C(N)=O)C[C@H]1CNc1cnc(C#N)cn1 1039890318 ZEBWJXALFPCUHR-VHSXEESVSA-N 302.338 -0.270 30 20 DBED C=CCC(CC=C)C(=O)N1CC[C@](O)(CNC(=O)C(N)=O)C1 1040742452 GIDOYUQYLGLDRM-HNNXBMFYSA-N 309.366 -0.680 30 20 DBED CCCN(C)CC(=O)N1CC[C@@](O)(CNC(=O)[C@@H](C)C#N)C1 1040759055 DNZIIFXWZVXXPQ-SWLSCSKDSA-N 310.398 -0.433 30 20 DBED Cn1cnc(C(=O)N[C@@H]2CN(c3ncccc3C#N)C[C@H]2O)c1 1040987635 NKJHNPHFBZAZPC-DGCLKSJQSA-N 312.333 -0.334 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)CC2CC2)C1 1041140845 JXNSVBZEFPORRN-AWEZNQCLSA-N 319.405 -0.426 30 20 DBED Cc1nn[nH]c1C(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@H]1O 1041282871 BKHAIGJRHVBWGX-GHMZBOCLSA-N 313.321 -0.641 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)CCOCC)C1 1042003510 KLKHPFQUCCACHF-UHFFFAOYSA-N 300.355 -0.695 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)c2oc(C)nc2C)C1 1042299369 BGYMCRJKBKCIMJ-UHFFFAOYSA-N 323.349 -0.203 30 20 DBED N#Cc1c[nH]c(C(=O)NCC2(O)CN(C(=O)c3ncc[nH]3)C2)c1 1042391830 JXGJOPVNQMWNRM-UHFFFAOYSA-N 314.305 -0.774 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)c2cnnc(C)c2)C1 1042779386 YIRFBCLADKBVQF-UHFFFAOYSA-N 320.349 -0.709 30 20 DBED Cc1cc(N2C[C@H](O)[C@H](NC(=O)c3cnon3)C2)c(C#N)cn1 1044122704 LLNRACSZHVLIOV-YPMHNXCESA-N 314.305 -0.376 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)[C@@]2(C)CCNC2=O)C1 1046636006 BHCDTYJFKATHQW-HNNXBMFYSA-N 321.377 -0.994 30 20 DBED CN(C(=O)c1ccc[nH]1)[C@H]1CN(C(=O)CSCC#N)C[C@@H]1O 1048218395 IUVYAANQARWACA-RYUDHWBXSA-N 322.390 -0.085 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)c1ccc(C(N)=O)s1 1051167805 YOOZBFANXVMPAN-SNVBAGLBSA-N 307.375 -0.089 30 20 DBED CC#CCN1CCN([C@@H]2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)CC1 1052086221 POVRRLVDTRTPLX-KFWWJZLASA-N 318.421 -0.650 30 20 DBED CNC(=O)NCC(=O)NC[C@@H]1CN(C(=O)C#CC(C)C)C[C@H]1C 1052547560 HECUYDPGCFFGCX-CHWSQXEVSA-N 322.409 -0.215 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)Cn2nccn2)C[C@@H]1C 1052682949 FKVIDXIEGIUQOS-QWHCGFSZSA-N 321.381 -0.309 30 20 DBED C#CCN1CC2(C1)CN(C(=O)CCc1ccn(C)n1)CCO2 1053275529 HRFDYJKCVBOXJU-UHFFFAOYSA-N 302.378 -0.101 30 20 DBED C=CCCN1CC2(C1)CN(C(=O)c1nnc(O)nc1O)CCO2 1053326895 NQBOUTMYANUJDO-UHFFFAOYSA-N 321.337 -0.614 30 20 DBED CC1CCN(C(=O)C(=O)N2CCOC3(CN(CC#N)C3)C2)CC1 1053459934 HNCXFDRCSRGXFW-UHFFFAOYSA-N 320.393 -0.318 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)c3ccc4nncn4c3)CO2)C1 1053955508 KZQPALDDEBXGGU-CYBMUJFWSA-N 311.345 -0.064 30 20 DBED C=CCN1CC2(C[C@@H](NC(=O)[C@H]3CCCS3(=O)=O)CO2)C1 1054013163 PJIQUDDTANPHGB-VXGBXAGGSA-N 314.407 -0.291 30 20 DBED Cc1cc(C#N)nc(N2CCN(C(=O)c3nnn(C)n3)CC2)n1 1055980427 YDCMLYNWUZQKJC-UHFFFAOYSA-N 313.325 -0.857 30 20 DBED C[C@H](C#N)C(=O)N[C@]1(CO)CCCN(C(=O)CC(C)(C)O)C1 1056093592 LHTHBPQLFAQQNT-IAQYHMDHSA-N 311.382 -0.223 30 20 DBED Cn1nncc1C(=O)N[C@H]1[C@@H]2CN(c3nccnc3C#N)C[C@@H]21 1056195262 SXHXMVDQHIKHBW-GDGBQDQQSA-N 310.321 -0.659 30 20 DBED C=CCO[C@H](C)C(=O)N1CC[C@@H]2[C@H]1CCCN2C(=O)C(N)=O 1056538572 WMYSYJLOZFMBIQ-IJLUTSLNSA-N 309.366 -0.345 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H]1CCN(C(=O)[C@@H]2CCNC(=O)C2)C1 1056599639 MACBFBGKPVQFSA-DGCLKSJQSA-N 313.361 -0.086 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)c1cnn(C)c1 1056935865 MYYRXIWCDPVWEV-UHFFFAOYSA-N 306.366 -0.226 30 20 DBED C#CCNC(=O)CC(=O)N(CCO)CCNC(=O)C=C1CCC1 1057390487 BZAJDZXMQGLMMX-UHFFFAOYSA-N 321.377 -0.827 30 20 DBED N#Cc1cc(C(=O)N(CCO)CCNC(=O)c2cnon2)c[nH]1 1057394435 UCNWNCDHUIDBNA-UHFFFAOYSA-N 318.293 -0.866 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)[C@@H]1CC[C@H]1C(N)=O 1057445374 RYFLJDOJONEPQF-CHWSQXEVSA-N 323.393 -0.762 30 20 DBED C#CCOCCC(=O)N(CCO)CCNC(=O)c1c[nH]cc1C 1057583661 WGPGMLQTDXXAJZ-UHFFFAOYSA-N 321.377 -0.086 30 20 DBED Cc1cc(C#N)nc(N[C@H]2CCCN(C(=O)CC(N)=O)C2)n1 1057603756 UXKPQTPVNKJMOL-JTQLQIEISA-N 302.338 -0.065 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)c1cn2c(n1)CCC2 1057736449 DHTZSDFRNYOXJJ-NSHDSACASA-N 319.365 -0.460 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)CS(=O)(=O)CC 1057862471 VWUGTVHZDZFZGA-UHFFFAOYSA-N 320.411 -0.676 30 20 DBED CCn1cc(C(=O)N[C@@H]2CCN(c3ccnc(C#N)n3)C2)nn1 1058432198 NVKBMXCHYVAIOC-SNVBAGLBSA-N 312.337 -0.032 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)[C@@H]1CCN(C)C1=O 1058451478 VFWQVKXRSROVPO-GFCCVEGCSA-N 311.382 -0.632 30 20 DBED C=CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)Cc1ncc[nH]1 1058547375 FCVXJNBBKGAASC-LBPRGKRZSA-N 324.381 -0.520 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1C[C@H](NC(=O)[C@@H]2CC[C@@H]2C(N)=O)C1 1059368057 CKQWGSPEGKYVEL-ZDEQEGDKSA-N 313.361 -0.054 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[C@@H]2C(N)=O)C1 1059784058 CKQWGSPEGKYVEL-QNWHQSFQSA-N 313.361 -0.054 30 20 DBED C=CCCC(=O)NC[C@@H]1COCCN1C(=O)CS(C)(=O)=O 1061395972 DFGUMHCUNNTHGE-LLVKDONJSA-N 318.395 -0.659 30 20 DBED C=CCCC(=O)N1CCOC[C@H]1CNC(=O)c1cn(C)nn1 1061556234 RVSNGQWBVRGJAU-LLVKDONJSA-N 307.354 -0.262 30 20 DBED C=CCOCC(=O)N1CCOC[C@H]1CNC(=O)CCN(C)C 1061858922 ALPAPTGQOGBTCU-CYBMUJFWSA-N 313.398 -0.516 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)CCCCC(N)=O 1061902416 NPGCWWDSMYVEQH-RYUDHWBXSA-N 324.381 -0.465 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(NC(=O)[C@@H]2CCNC2=O)CCC1 1062870989 RRGCNTLFSZNGPN-IAQYHMDHSA-N 323.393 -0.395 30 20 DBED N#Cc1ccc(NC[C@H]2CCCN2C(=O)[C@H]2COC(=O)N2)nn1 1063478687 HTWPLWQELJISAF-GHMZBOCLSA-N 316.321 -0.140 30 20 DBED C=CCCOCC(=O)NC[C@H]1CN(C(=O)COCC)CCO1 1064810817 AGPXLSJEDQKWRC-ZDUSSCGKSA-N 314.382 -0.041 30 20 DBED C=CCOCC(=O)N1CCO[C@H](CNC(=O)[C@H]2CCCO2)C1 1064974520 WBSBASSUJRPGCW-CHWSQXEVSA-N 312.366 -0.288 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)c2cn(C)nn2)CCO1 1065113255 DRAMLCKLQKSTTI-LBPRGKRZSA-N 319.365 -0.568 30 20 DBED CC(C)C#CC(=O)N1CCO[C@@H](CNC(=O)Cn2nccn2)C1 1065129467 RHQHXSNXUWPGLV-ZDUSSCGKSA-N 319.365 -0.719 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CCN(C)C2=O)CCO1 1065479913 CZJUXTOAURXQMH-CHWSQXEVSA-N 323.393 -0.226 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@H](CNC(=O)C(=O)NCC2CC2)C1 1065555838 ALTFOFJVBSILFF-CMPLNLGQSA-N 322.365 -0.984 30 20 DBED Cc1nccn1CC(=O)NC[C@@H]1CN(C(=O)[C@H](C)C#N)CCO1 1065556350 GRMJSQSJQOATBI-DGCLKSJQSA-N 319.365 -0.305 30 20 DBED CC(C)C#CC(=O)N(C)CCCN(C)C(=O)Cn1cnnn1 1066783996 VKPVJOCPGYIPGT-UHFFFAOYSA-N 306.370 -0.361 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](CNC(=O)c3cn[nH]c3)C2)nn1 1067651857 QTDAARJLKBESGK-ZYHUDNBSSA-N 313.321 -0.702 30 20 DBED N#Cc1cnc(N2C[C@H]3C(CNC(=O)c4cnn[nH]4)[C@@H]3C2)cn1 1068209940 PFWKSQZRIKMNDT-QWRGUYRKSA-N 310.321 -0.421 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1COC2(C1)CN(C(=O)c1cncn1C)C2 1069003965 QVAOKULUXNVGAU-QWRGUYRKSA-N 317.349 -0.321 30 20 DBED CC#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2cccnn2)C1 1070061596 NLAFGLUTDRVTSD-KGLIPLIRSA-N 311.349 -0.253 30 20 DBED C[C@H]1CCN(CC(=O)N2C[C@H](n3ccnn3)[C@H](NCC#N)C2)C1 1070275423 LPAWWGOMRKMACZ-MJBXVCDLSA-N 317.397 -0.515 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)c4ccc(O)nn4)C[C@@]3(C1)O2 1070755755 SVUFWASNWWBWLA-HWWQOWPSSA-N 314.345 -0.269 30 20 DBED Cn1cc(C(=O)N2C[C@@H]3C[C@@H]4CN(CC#N)C[C@]3(C2)O4)cn1 1070759205 OFOSBIKWGGZBAS-GZBFAFLISA-N 301.350 -0.141 30 20 DBED C=C(C)CN1C[C@H]2C[C@H]3CN(C(=O)c4nnn(C)n4)C[C@@]3(C1)O2 1070838976 DEQYJINNKKWRHY-YWPYICTPSA-N 318.381 -0.299 30 20 DBED CO[C@H]1CCC[C@H]1C(=O)N1CCC(=O)NCCN(CC#N)CC1 1070976953 WYWNOUSSMCTDFA-KGLIPLIRSA-N 322.409 -0.024 30 20 DBED C#CCCCC(=O)N1C[C@@H](NC(=O)CCn2cnnn2)[C@H](C)C1 1071993063 XWNUQJBAJHWZQN-CHWSQXEVSA-N 318.381 -0.170 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1NC(=O)CS(C)(=O)=O 1072047914 HEIKYLWSZGGSRE-PWSUYJOCSA-N 312.391 -0.593 30 20 DBED C=CCCC(=O)N[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@H]1C 1072166028 WJJSXWPNPGVCKL-ZYHUDNBSSA-N 314.407 -0.040 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)CN3CCOCC3)C[C@@H]21 1074219196 MAAQZDIRUYDBMP-GJZGRUSLSA-N 307.394 -0.747 30 20 DBED C#CCCN1CCO[C@H]2CCN(C(=O)c3cnn(C)n3)C[C@H]21 1074361054 VVPDUJYCFUTUPU-KGLIPLIRSA-N 303.366 -0.246 30 20 DBED C[C@H](C#N)C(=O)N1CCC(O)(CNC(=O)Cc2cc[nH]n2)CC1 1074705483 SSOVLWIGFIPCKZ-LLVKDONJSA-N 319.365 -0.418 30 20 DBED C[C@@H](CCNC(=O)CNC(=O)N1CCCC1)NC(=O)[C@H](C)C#N 1076505121 IPIKYKOHZAHCFI-NEPJUHHUSA-N 323.397 -0.038 30 20 DBED C=CCCN1C[C@@H]2CCN(C(=O)Cn3nc(C)n(C)c3=O)[C@@H]2C1 1076519146 QFSSMCIEBIOUMU-UONOGXRCSA-N 319.409 -0.001 30 20 DBED Cn1nc2c(c1C(=O)N[C@@H]1CN(CC#N)C[C@H]1O)CCCC2 1077067063 KVULGCKZHQMGKB-CHWSQXEVSA-N 303.366 -0.403 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3ccnc3)nc2)C1 1077476535 HPODRCIVWVXBIQ-CHWSQXEVSA-N 312.333 -0.434 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)[C@@]1(C)CCOC1 1078038383 JJNYIWVBIGQCMZ-LRDDRELGSA-N 323.393 -0.437 30 20 DBED C#CCN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)CN1C(=O)CCC1=O)C2 1079102081 FEIZOCXGYXCOLV-JHJVBQTASA-N 303.362 -0.262 30 20 DBED C#CCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)c2cn(C)nn2)C1 1079774687 JFIVEDLRJQAYKY-NSHDSACASA-N 319.365 -0.474 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(N(CC)C(=O)[C@H]2CNC(=O)N2)C1 1080385146 HULWENPZCWLCQS-ABAIWWIYSA-N 324.381 -0.946 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CO)(NC(=O)CCCC(N)=O)CC1 1080905287 PYIWBDNQDDVIOW-NSHDSACASA-N 324.381 -0.729 30 20 DBED N#CCSCC(=O)N1C[C@H](CNC(=O)c2ncc[nH]2)[C@@H](O)C1 1081452845 LZFGFEBYMPMHSR-UWVGGRQHSA-N 323.378 -0.784 30 20 DBED CC(C)C#CC(=O)N1C[C@H](CNC(=O)c2ccncn2)[C@@H](O)C1 1081679440 KORSHLIYWXIKSZ-JSGCOSHPSA-N 316.361 -0.315 30 20 DBED C#CCCN1C[C@@H](NC(=O)c2cnn(CCOC)c2)[C@H](OC)C1 1082348361 XKWMMTRHVBOZSC-HUUCEWRRSA-N 320.393 -0.018 30 20 DBED C=CCN1C[C@@H](NC(=O)c2cc(C(N)=O)ccn2)[C@H](OC)C1 1082401757 AWVNJPVKVXIXIZ-CHWSQXEVSA-N 304.350 -0.205 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CCCN(C(N)=O)C1 1083136193 LBGGNGWNSNIXFT-HZSPNIEDSA-N 320.393 -0.678 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](NC(=O)C2CS(=O)(=O)C2)C1 1083487380 SHQGOCMQNGXWGO-NEPJUHHUSA-N 302.396 -0.842 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)c2ccc(N(C)C)nc2)C1 1083594995 DALCYXJWFKDRCO-KGLIPLIRSA-N 302.378 -0.054 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2cc(C(F)(F)F)n[nH]2)C1 1083862168 TYUKOHIIHJXERQ-SFYZADRCSA-N 303.244 -0.273 30 20 DBED C=CCN[C@H]1C[C@@H](CNC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 1086162911 MNQVAJHKGLDXTQ-PHIMTYICSA-N 316.369 -0.022 30 20 DBED CCc1nc(C#N)cc(N(CC)[C@H](C)CNC(=O)C(N)=O)n1 1089740657 BGRMZISLOLABPA-SECBINFHSA-N 304.354 -0.273 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2cn3nccc3nc2C)[C@@H](O)C1 1090687953 AXZLEKQKJJFQEZ-KGLIPLIRSA-N 313.361 -0.164 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)CN2CCC(=O)NC2=O)[C@H](O)C1 1090709769 QKPWFNISUOHWOS-NWDGAFQWSA-N 324.381 -0.944 30 20 DBED C#CCCN1CC[C@@H](NC(=O)Cn2nc(C)ccc2=O)[C@@H](O)C1 1090745541 BJAJZCOVBNMYKJ-KGLIPLIRSA-N 318.377 -0.874 30 20 DBED CN(C)CCC(=O)N[C@H]1CCN(c2cnc(C#N)cn2)C[C@@H]1O 1092172799 HXDGGWWHKXGHSN-STQMWFEESA-N 318.381 -0.644 30 20 DBED Cn1nnc2c(N3C[C@H]4[C@H](NC(=O)C#CC5CC5)[C@H]4C3)ncnc21 1093264251 UDXGAAGBLRRKBK-PJXYFTJBSA-N 323.360 -0.278 30 20 DBED N#CCN1CC(OC2CCN(C(=O)[C@@H]3CCNC3=O)CC2)C1 1093558794 BXBGSJBQBPGMAC-CYBMUJFWSA-N 306.366 -0.662 30 20 DBED CCO[C@@H]1C[C@H]1C(=O)NCc1cn(C2CN(CC#N)C2)nn1 1094276612 QTWITNGWOWZMJU-CHWSQXEVSA-N 304.354 -0.300 30 20 DBED Cc1ccc(C#N)c(NCCCNC(=O)Cn2cnnn2)n1 1094314783 LVWRMFPTRFRESB-UHFFFAOYSA-N 300.326 -0.133 30 20 DBED N#Cc1ccc(NCCCNC(=O)CN2C(=O)CCC2=O)nn1 1094435148 SBHYPFLEKUIOGP-UHFFFAOYSA-N 316.321 -0.585 30 20 DBED C=C(C)CN1CC(N2C[C@H](NC(=O)Cc3nc[nH]n3)CC2=O)C1 1094804035 MOSMIAFDIIUBNH-LLVKDONJSA-N 318.381 -0.675 30 20 DBED CN(CCCNC(=O)Cn1cnnc1O)c1ccncc1C#N 1095541259 OFQSXHGWZHPBMK-UHFFFAOYSA-N 315.337 -0.107 30 20 DBED CCN(CCCNC(=O)Cn1cnnn1)c1ccc(C#N)cn1 1095824872 FYOYKWJEUHUETC-UHFFFAOYSA-N 314.353 -0.027 30 20 DBED CC(=O)N[C@H](C)C(=O)N[C@H]1C[C@@H](Nc2ccc(C#N)nn2)C1 1097145239 ZYDUPSMZAKTPTF-FXAINCCUSA-N 302.338 -0.068 30 20 DBED N#Cc1nc(=NC[C@@H]2CCCCN2C(=O)CNC(N)=O)cc[nH]1 1097473962 ZCFCCLIXRFRODT-JTQLQIEISA-N 317.353 -0.769 30 20 DBED C#CCCN1C[C@@H]2CCC[C@]2(NC(=O)CN2CCOCC2=O)C1 1098876157 FQUNNJJVXZBWSR-YOEHRIQHSA-N 319.405 -0.161 30 20 DBED Cn1cnnc1CN1CC[C@H](NC(=O)CSCC#N)[C@@H](O)C1 1099688775 AORCCBTYMGSJAK-QWRGUYRKSA-N 324.410 -0.877 30 20 DBED Cn1cc(CN2CC[C@H](NC(=O)CSCC#N)[C@@H](O)C2)nn1 1099693141 MCDUSTAGAHPQFG-RYUDHWBXSA-N 324.410 -0.877 30 20 DBED N#CCNC(=O)CN1CC[C@H](NC(=O)C2CC=CC2)[C@H](O)C1 1099743392 IYFDCSUUISTPIP-QWHCGFSZSA-N 306.366 -0.856 30 20 DBED CC(C(=O)N[C@H]1CCN(CC(=O)NCC#N)C[C@@H]1O)=C1CCC1 1099814114 ZVXVURPUHKZNNF-KBPBESRZSA-N 320.393 -0.322 30 20 DBED CC(C)(C)C#CC(=O)N[C@H]1CCN(Cc2nc(O)n[nH]2)C[C@@H]1O 1099830154 NMMXDZAJCFVVQE-QWRGUYRKSA-N 321.381 -0.389 30 20 DBED N#CCNC(=O)CN1CC[C@@H](NC(=O)C2CC3(CC3)C2)[C@H](O)C1 1100000599 IASYRWQTUNVWHI-CHWSQXEVSA-N 320.393 -0.632 30 20 DBED CN(CCNC(=O)CCNC(N)=O)c1ncc(C#N)cc1F 1100099719 QYIVAQDYOJMCBT-UHFFFAOYSA-N 308.317 -0.297 30 20 DBED C=CCCN1CC[C@@H](NC(=O)CS(=O)(=O)CCC)[C@H](O)C1 1100113562 BWZBOLHYMQRWMM-CHWSQXEVSA-N 318.439 -0.061 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CNC(=O)C2CCC2)[C@H](O)C1 1100125035 QZJCQWPUJBVPBQ-ZIAGYGMSSA-N 307.394 -0.523 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CC(CNC(=O)c2cocn2)C1 1100181843 BAHHQSRTIBYYHC-VOMCLLRMSA-N 304.350 -0.090 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)c2n[nH]cc2C)C1 1100306567 UNUBOGBXIDPNHJ-UHFFFAOYSA-N 303.366 -0.434 30 20 DBED C[C@@H](C(=O)NCCN(C)c1cncc(C#N)n1)[C@H]1CCC(=O)N1 1100334145 TWWKATGZZQYZGM-ZYHUDNBSSA-N 316.365 -0.185 30 20 DBED C=CCNC1CC(CNC(=O)CN2C(=O)NC(=O)C2(C)C)C1 1100827407 CUAMKRGGRHRZAM-UHFFFAOYSA-N 308.382 -0.013 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1C 1101817565 YKVLBEHKHGCTPO-GHMZBOCLSA-N 312.370 -0.932 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@@H]1CCN(c2nccn3nnnc23)C1 1102701945 LHKAYDUXYWSCLP-NXEZZACHSA-N 300.326 -0.284 30 20 DBED CC[C@@H](CNC(=O)[C@@H]1CCNC1=O)Nc1cncc(C#N)n1 1103259096 DCIVCNIOFPZEKE-GXSJLCMTSA-N 302.338 -0.209 30 20 DBED COC(=O)NCC(=O)NC[C@@H](C)CNc1cncc(C#N)n1 1103856952 OSHGIQJHRBWOBY-VIFPVBQESA-N 306.326 -0.132 30 20 DBED C[C@H](CNc1ccc(C#N)nn1)N(C)C(=O)[C@@H]1CNC(=O)N1 1104785135 NXFJGJSCKBYRJC-SCZZXKLOSA-N 303.326 -0.712 30 20 DBED C#CCCNCC[C@@H]1CN(C(=O)Cn2c(O)nnc2O)C[C@H]1C 1104955392 XDHIBWJGDNLGGY-VXGBXAGGSA-N 321.381 -0.213 30 20 DBED CNC(=O)CC(=O)N1CC[C@H](N=c2cc[nH]c(C#N)n2)[C@H](C)C1 1105041478 UFLGWNGVWXYYLF-MNOVXSKESA-N 316.365 -0.445 30 20 DBED CC(C)[C@H](CNC(=O)[C@@H]1CCNC1=O)N=c1cc[nH]c(C#N)n1 1105263288 SVSBDEFIDCWTFJ-MNOVXSKESA-N 316.365 -0.541 30 20 DBED C#CCCNCc1cn(C2CN(C(=O)c3cnn[nH]3)C2)nn1 1105276464 JXOULECWNHYXRF-UHFFFAOYSA-N 300.326 -0.794 30 20 DBED N#Cc1cncc(NC[C@H](O)CNC(=O)CCn2cccn2)n1 1105756531 VWNOWSUJXMPVOE-LBPRGKRZSA-N 315.337 -0.476 30 20 DBED Cc1n[nH]c(C)c1C(=O)NC[C@H](O)CNc1nccnc1C#N 1105932323 FTWLYSWZLDMDAC-SNVBAGLBSA-N 315.337 -0.109 30 20 DBED COc1nc(C(=O)NC[C@H](O)CNc2cncc(C#N)n2)co1 1106050364 QSXUYDXWACFYAV-SECBINFHSA-N 318.293 -0.452 30 20 DBED Cc1ncc(C(=O)NC[C@H](O)CNc2ccc(C#N)nn2)n1C 1106092710 LMGVMHZWPCKBCK-LLVKDONJSA-N 315.337 -0.407 30 20 DBED C[C@H](C(N)=O)N1CC(n2cc(CNC(=O)C#CC3CC3)nn2)C1 1107169334 CKKCANWYBZMTCP-SNVBAGLBSA-N 316.365 -0.962 30 20 DBED C[C@@H](C(=O)NC[C@@]1(C)CN(CC#N)CCO1)S(C)(=O)=O 1108028353 DSQMBWOSPIDRTA-JQWIXIFHSA-N 303.384 -0.850 30 20 DBED CC#CCN1CCO[C@@](C)(CNC(=O)CCc2cnn(C)n2)C1 1108220383 VLLJLIKEGKIDNI-INIZCTEOSA-N 319.409 -0.022 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)C(C)(C)N2CCOCC2)C1 1108281029 BQSLKXKYNONMIL-KRWDZBQOSA-N 323.437 -0.063 30 20 DBED CCC[C@@H](OC)C(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1 1108560569 LDDSPSRFQZJTOE-WCQYABFASA-N 308.382 -0.274 30 20 DBED CN(CCCN=c1cc[nH]cc1C#N)C(=O)C1(C(N)=O)CC1 1109613316 VNTGLJJWAGDHMU-UHFFFAOYSA-N 301.350 -0.099 30 20 DBED CCc1nc(C#N)cc(N2CC[C@@](C)(NC(=O)CC(N)=O)C2)n1 1110733925 VHFVOQKJNSPYNI-OAHLLOKOSA-N 316.365 -0.129 30 20 DBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1[nH]nnc1C 1110883450 DYUZZKVHSKSSFN-UTUOFQBUSA-N 318.381 -0.250 30 20 DBED N#Cc1cnccc1N1CC[C@](O)(CNC(=O)c2cnn[nH]2)C1 1111143175 IVHQHNNSIUYJTB-AWEZNQCLSA-N 313.321 -0.557 30 20 DBED CN1CCC[C@H]1C(=O)N(CCO)CCN=c1cc[nH]cc1C#N 1111429248 CMIMAGXMHZZDIQ-HNNXBMFYSA-N 317.393 -0.298 30 20 DBED CS(=O)(=O)CC(=O)NCC1(Nc2ccnc(C#N)n2)CCC1 1111759271 KGUIAWSNPSPBEG-UHFFFAOYSA-N 323.378 -0.156 30 20 DBED CCO[C@H](C)C(=O)N1CCO[C@H](CN=c2cc[nH]c(C#N)n2)C1 1111934730 IIBKITFLEREMGV-VXGBXAGGSA-N 319.365 -0.166 30 20 DBED CN(CCCN(C)c1ccnc(C#N)n1)C(=O)[C@H]1CNC(=O)N1 1112168401 MNXPOCLEVPQSIT-SNVBAGLBSA-N 317.353 -0.686 30 20 DBED Cc1nc(N2C[C@@H](O)[C@H](CNC(=O)CC(N)=O)C2)ccc1C#N 1112724603 BFMAVYFUSXXJCE-VXGBXAGGSA-N 317.349 -0.950 30 20 DBED CO[C@@H]1CCC[C@@H]1C(=O)N1CCN(CC(=O)NCC#N)CC1 1113040453 MXECWLUPVJEDQH-QWHCGFSZSA-N 308.382 -0.415 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H](C)N(C)c1ccc(C)nn1 1113567449 SSZHJSYQBMJECX-GFCCVEGCSA-N 303.366 -0.135 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@H](C)N(C)c1ccc2nnnn2n1 1113582615 LNLMDXPVGFGAEU-YGRLFVJLSA-N 319.369 -0.213 30 20 DBED Cc1cc(C#N)nc(N(C)[C@@H](C)CNC(=O)Cn2nccn2)n1 1113736742 KKQWKTQKUXFOGI-NSHDSACASA-N 314.353 -0.111 30 20 DBED CNC(=O)NCC(=O)NC[C@@H](C)N(C)c1cnc(C#N)cn1 1113939444 YPVVGMYZBFOFLQ-SECBINFHSA-N 305.342 -0.782 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CN(c2cncc(C#N)n2)CC[C@H]1C 1113995164 YJPYILWSKPABLM-ZWNOBZJWSA-N 316.365 -0.185 30 20 DBED C#CCN1C[C@H]2C(NC(=O)C[C@]3(C)CCS(=O)(=O)N3)[C@@H]2C1 1115175862 DIMSUIGZUNYWDF-GYSYKLTISA-N 311.407 -0.862 30 20 DBED C[C@@H](CN(C)C(=O)[C@H]1COCCO1)N=c1cc[nH]c(C#N)n1 1115654655 HSBKBZMUEKIAIY-WDEREUQCSA-N 305.338 -0.556 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N[C@H]1CCCN(C(=O)OC)C1 1117146332 RZVLPZNRGLGIJQ-ZDUSSCGKSA-N 319.361 -0.182 30 20 DBED C[C@H](O)CN(C(=O)C(=O)N1CCC[C@H](CC#N)C1)[C@@H](C)CO 1118512240 AENOFOCAMFNNPW-RWMBFGLXSA-N 311.382 -0.271 30 20 DBED Cc1cnn(CC(=O)NC[C@H](CO)N=c2cc[nH]cc2C#N)c1 1121160308 YJMURKYNRXTLEG-CYBMUJFWSA-N 314.349 -0.531 30 20 DBED CC(C)(C)C#CC(=O)NC[C@H](CO)Nc1nccn2nnnc12 1121439574 NTGSTOJWKVAAFK-SNVBAGLBSA-N 317.353 -0.542 30 20 DBED Cc1cc(C#N)nc(N[C@H](CO)CNC(=O)c2n[nH]cc2F)n1 1122494506 SVGCCZKSXLKHLG-VIFPVBQESA-N 319.300 -0.278 30 20 DBED Cc1ccc(C#N)c(NC[C@@H](O)CN(C)C(=O)c2nc[nH]n2)n1 1124461484 ZIEJMRJHVMBTOE-LLVKDONJSA-N 315.337 -0.075 30 20 DBED C=C(C)CN1C[C@H](n2ccnn2)[C@H](NC(=O)CNC(=O)OC)C1 1128747130 WNQCKJDREBMGAB-NEPJUHHUSA-N 322.369 -0.448 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)CCCC(=O)NC)C1 1128929771 NREPRCAGZGLMLI-OLZOCXBDSA-N 320.397 -0.278 30 20 DBED C#CCCN1C[C@H]2C[C@H]3CN(C(=O)CNC(=O)NC)C[C@@]3(C1)O2 1131238390 VMUPTYRVMWILEX-WOSRLPQWSA-N 320.393 -0.760 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1nc2c(s1)CCC2 1131353009 MZQVPVIVOUJPOZ-UHFFFAOYSA-N 306.391 -0.299 30 20 DBED C#CCNC(=O)CN1CC[C@]2(C1)CN(C(=O)CC)C[C@@H](C)O2 1131621108 PYIULLQWSUATHX-CJNGLKHVSA-N 307.394 -0.162 30 20 DBED C[C@@H]1CN(C(=O)CNC(=O)C2CC2)C[C@]2(CCN(CC#N)C2)O1 1131631049 BBTPCVNZBNOJLK-MLGOLLRUSA-N 320.393 -0.272 30 20 DBED C=CCN1CC[C@]2(C1)CN(C(=O)CNC(=O)NC)C[C@H](C)O2 1131666803 SEPMXVPLXPPHFB-WFASDCNBSA-N 310.398 -0.207 30 20 DBED CN(CCC(=O)NCCNCC(=O)NCC#N)C1CCCCC1 1131815538 IDFJMEGNWYXAKW-UHFFFAOYSA-N 323.441 -0.013 30 20 DBED C=CCNC(=O)CN1C[C@H](NC(=O)CC(=O)N(C)C)CC[C@H]1C 1132346254 WRELKQNBKJTKPP-CHWSQXEVSA-N 324.425 -0.264 30 20 DBED C=CCNC(=O)CNC[C@@H]1CN(C(=O)CNC(C)=O)CC[C@@H]1C 1132599684 UXJGJMKGEMZJTA-GXTWGEPZSA-N 324.425 -0.501 30 20 DBED C[C@H](C[C@@H](C)NC(=O)CCn1cccn1)NCC(=O)NCC#N 1133726763 OLKGLOVZNBFAKF-CHWSQXEVSA-N 320.397 -0.214 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)C[C@@H](C)NCC(=O)NCC=C 1134130407 HHPHBUKURWMBAV-OLZOCXBDSA-N 322.409 -0.699 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)COCCC)C2 1147194334 JEWHOVMFPVONGI-UHFFFAOYSA-N 307.394 -0.303 30 20 DBED C[C@H]1OCC[C@@H]1C(=O)N1CC2(CCN(CC(=O)NCC#N)C2)C1 1148488189 OALCRSRMXRVNOK-OLZOCXBDSA-N 320.393 -0.415 30 20 DBED CC1(C)CO[C@H](CCC(=O)NCCNCC(=O)NCC#N)C1 1149063460 NDOPXUNPXDQTNI-GFCCVEGCSA-N 310.398 -0.073 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cncnc1C1CC1 1149524380 CMRMLCGJZYUGMD-UHFFFAOYSA-N 301.350 -0.577 30 20 DBED N#Cc1ccccc1CNCCNC(=O)[C@H]1CCS(=O)(=O)N1 1151299199 BUQZDEHPTYKVDV-CYBMUJFWSA-N 322.390 -0.544 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@@H](OC)c1ccc(F)cc1 1153073848 QPIWCZOBHXGTAU-HNNXBMFYSA-N 321.352 -0.032 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)[C@H](C)NC(=O)C1CCC1 1153699459 DQXFEQKHHXEPDR-RYUDHWBXSA-N 324.425 -0.312 30 20 DBED C=CCNC(=O)CN(CC)[C@H](C)CNC(=O)[C@@H]1CCCNC1=O 1153910186 ILZVOQCJABFPBE-CHWSQXEVSA-N 324.425 -0.359 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)[C@H](C)n1cccn1 1154908455 GDZWPBLTAQYKSK-STQMWFEESA-N 305.382 -0.322 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)[C@H]1OCC[C@H]1C 1155317313 KYIOKQCGKUHHAV-BZPMIXESSA-N 310.398 -0.122 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)[C@]2(C)CNC(=O)C2)C1=O 1163080618 KYAKRMOYIYGHGB-LRDDRELGSA-N 322.409 -0.605 30 20 DBED COCC#CCNCC1(CCNC(=O)c2cn(C)nn2)CC1 1164411328 BADAYGYPIGNEFX-UHFFFAOYSA-N 305.382 -0.045 30 20 DBED C=CCNC(=O)NC(=O)CN1CCO[C@@H]2CCN(C(C)=O)C[C@H]21 1176876547 PCYIHGBDJRPQIK-CHWSQXEVSA-N 324.381 -0.680 30 20 DBED CNC(=O)CCCC(=O)N1CC[C@H](NCC(=O)NCC#N)[C@@H]1C 1178517294 OWKSCFAAMMWMFH-RYUDHWBXSA-N 323.397 -0.879 30 20 DBED C[C@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)c1c[nH]c(C#N)c1 1178517887 YFYWWBWSYAJITH-GWCFXTLKSA-N 314.349 -0.281 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)CC[C@@H]2CCCO2)C1 1181065900 NCBBNCCFFACTHV-KGLIPLIRSA-N 307.394 -0.115 30 20 DBED C#CCCCC(=O)N1CC[C@@H](NCCCN2C(=O)CNC2=O)C1 1182214874 KHKUVOOBLVSLMK-CYBMUJFWSA-N 320.393 -0.078 30 20 DBED C[C@@H]1CN(C(=O)C(F)F)CC[C@@H]1CNCC(=O)NCC#N 1183662450 KOJNWPOGCLTSNG-NXEZZACHSA-N 302.325 -0.035 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)CCc2nccn2C)C1 1184492269 PHEUPWKLKFLPTA-CYBMUJFWSA-N 319.409 -0.155 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@H](N(C)C[C@H](O)COC)C1 1190722956 HCDALKDMZZGZKJ-JYJNAYRXSA-N 323.437 -0.376 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)C=C2CCC2)C1 1192138065 XQDZKRQGZPJFLU-IACUBPJLSA-N 305.378 -0.604 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2ccncc2C)C1 1192731063 BDZZIUSCOPSWGR-ZIAGYGMSSA-N 318.377 -0.533 30 20 DBED C#CCCN(C)[C@@H]1CCN(C(=O)CN(C)S(=O)(=O)CC)C1 1193205764 WMUQSHVNFSNWKD-CYBMUJFWSA-N 315.439 -0.176 30 20 DBED C=CCC[C@H](C)N1C[C@@H](O)[C@H](NC(=O)C2CS(=O)(=O)C2)C1 1193223132 VRHBGTHWHXDHNC-CYZMBNFOSA-N 316.423 -0.453 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)CCCN2C(=O)CCC2=O)C1 1193520628 SMGWPSXEGCEVKG-CHWSQXEVSA-N 323.393 -0.347 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)c2ccc(O)nn2)CC1 1194746589 JJUVMZFAYMCAKE-UHFFFAOYSA-N 319.365 -0.368 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)c2cc(F)c[nH]2)C1 1194790540 ZQIMUSRFFASDMS-ZWKOPEQDSA-N 324.356 -0.381 30 20 DBED COCCCNC(=O)CN1CCCN(C(=O)[C@@H](C)C#N)CC1 1195314665 RPTUTZYOCCZUBW-ZDUSSCGKSA-N 310.398 -0.167 30 20 DBED Cc1ccc(C(=O)NCC(=O)N[C@@H]2CN(CC#N)C[C@H]2O)s1 1198320474 IFEBMZZBBKUVQS-GHMZBOCLSA-N 322.390 -0.529 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)[C@H]2COCCN2C)CC1 1200117303 DFYPXCUVJAPMDA-CQSZACIVSA-N 324.425 -0.800 30 20 DBED C#CCNC[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CC)C2)CCCO1 1200636507 ZPKMHAWYGBQVCH-UONOGXRCSA-N 307.394 -0.305 30 20 DBED COCC#CCNC[C@H]1CN(C(=O)c2[nH]nnc2C)CCCO1 1201121460 XZWCNQPZJUUHIK-ZDUSSCGKSA-N 321.381 -0.416 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)[C@H]2CCCC(=O)N2)CC1 1201183382 ZMOBZIQZSRHODK-CYBMUJFWSA-N 322.409 -0.462 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)Cc2cncn2C)CC1 1203337202 FTWQJJDWSYLMKG-UHFFFAOYSA-N 319.409 -0.155 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@@H](NC(=O)c2nc[nH]n2)C12CCC2 1203499539 IBKMVHOYDNUJJN-WDEREUQCSA-N 316.365 -0.815 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)c2cnccn2)CC1 1204317832 BGZVMXLPRHNTJB-UHFFFAOYSA-N 315.377 -0.332 30 20 DBED COCC#CCN1C[C@@H](NC(=O)CCn2cncn2)[C@H](C)C1 1206053354 IBXHIHGZIZTGRM-ZIAGYGMSSA-N 305.382 -0.246 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)C[C@@H]2COC(=O)C2)C1 1207795659 KYHSCKGIXYXLMC-QWHCGFSZSA-N 321.377 -0.730 30 20 DBED Cn1cnc(C(=O)N2CCC[C@H](NCC(=O)NCC#N)C2)c1 1207806344 CENFDSMVDMDCDN-NSHDSACASA-N 304.354 -0.746 30 20 DBED CO[C@@H](C(=O)N1CCC[C@@H](NCC(=O)NCC#N)C1)C(C)C 1209447366 ZGNFGFJZJMOTMH-TZMCWYRMSA-N 310.398 -0.122 30 20 DBED CC#CCN1C[C@@H](NC(=O)CNC(=O)C2CCOCC2)[C@H](C)C1 1209595848 SPCDBOSMWGZPMG-UKRRQHHQSA-N 321.421 -0.011 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)Cc2cncn2C)[C@H](C)C1 1210285350 WODMGEAMPNOKMP-TZMCWYRMSA-N 319.409 -0.299 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)c2cn[nH]c2)[C@H](OC)C1 1211908470 GBDDVFTVDMMMBY-RAIGVLPGSA-N 321.381 -0.471 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)c2cocn2)[C@H](OC)C1 1212035792 BQAKPUQIRQVKFC-ZYHUDNBSSA-N 308.338 -0.594 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2ccn(C)n2)C[C@H]1OC 1212257847 JNTGGCGTLRLKPU-NWANDNLSSA-N 320.393 -0.226 30 20 DBED CCOCCCC(=O)N1C[C@@H](NCC(=O)NCC#N)[C@H](C)C1 1214202494 ROQNLWXOJZVVAV-CHWSQXEVSA-N 310.398 -0.121 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)c2n[nH]c(C)c2O)C[C@H]1C 1214445782 MLRVJQBJZIIIGQ-MWLCHTKSSA-N 319.365 -0.777 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)C2(COCC)CC2)C[C@H]1C 1215000046 VJFNCHNRDYQMRM-ZIAGYGMSSA-N 321.421 -0.011 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CCOCCOC 1219065895 SBCNLXFATFESDO-LSDHHAIUSA-N 310.394 -0.026 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(CCOCCOC)C[C@@H]1O 1219364120 YNCAXPZBKWRGAJ-OLZOCXBDSA-N 302.371 -0.987 30 20 DBED COc1coc(CN2C[C@H](O)[C@H](NC(=O)[C@@H](C)C#N)C2)cc1=O 1219381222 LJZZLDHGEAMSEK-NDMJEZRESA-N 321.333 -0.531 30 20 DBED C[C@@H](NC(=O)CN1C[C@H](O)[C@H](NC(=O)C#CC2CC2)C1)C1CC1 1219594183 FDNUAKKSZJHBPD-DFBGVHRSSA-N 319.405 -0.524 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2ccn(CC)n2)C[C@@H]1O 1219609157 DVRUPBAMQWQVNJ-CABCVRRESA-N 320.393 -0.396 30 20 DBED C=CCCCN1C[C@H](O)[C@H](NC(=O)CCc2cnn(C)n2)C1 1220374106 RSFNPSFXLUPEBY-KGLIPLIRSA-N 307.398 -0.125 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)CCCn2cccn2)C1 1221004187 ADTVFEYVRGVAOB-CABCVRRESA-N 320.393 -0.526 30 20 DBED COCC#CCN1CC[C@@H]2CN(C(=O)[C@@]3(C)CCNC3=O)[C@@H]2C1 1221810420 QOTBFJMAGULDTQ-CPUCHLNUSA-N 319.405 -0.305 30 20 DBED COC[C@H](C)C(=O)NCC[C@H]1CN(CC#N)CCS1(=O)=O 1230435723 ICIPLMPVXONDEZ-RYUDHWBXSA-N 317.411 -0.602 30 20 DBED C#CCN1CCS(=O)(=O)[C@@H](CCNC(=O)c2cnco2)C1 1230476984 HDEKCLRFCPBBIE-NSHDSACASA-N 311.363 -0.473 30 20 DBED C=C[C@@](C)(O)CC(=O)N(C)C[C@@H]1CCN1Cc1nc(=O)n(C)[nH]1 1233977753 OKXSRTQDJJKTCX-XHDPSFHLSA-N 323.397 -0.532 30 20 DBED CO[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)C12CCC2 1261473973 VIPCZVJBVHBTOD-JMSVASOKSA-N 321.377 -0.063 30 20 DBED CN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCCn1cncn1 1324363246 MSHPHIVBECOIKN-UHFFFAOYSA-N 312.333 -0.075 30 20 DBED C[C@@]1(C(N)=O)CCN(C(=O)C(=O)Nc2ccn(CCC#N)n2)C1 1325051625 QEKYFBYVYUBFOA-CQSZACIVSA-N 318.337 -0.541 30 20 DBED C[C@H](O)CN(C(=O)C(=O)N1CCC[C@@](C)(C#N)C1)[C@@H](C)CO 1325083704 MKYFKRGOSDKICA-HUBLWGQQSA-N 311.382 -0.271 30 20 DBED C=C[C@@H]1CCCCN1C(=O)C(=O)N1CCO[C@@H](C(=O)NC)C1 1325908655 YLSIMAMNHLMODR-VXGBXAGGSA-N 309.366 -0.473 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)NCc1cn(CC)nn1 1331460487 JIZAAHMYCDJJRH-LLVKDONJSA-N 307.354 -0.541 30 20 DBED C#CCN1CCC[C@H](NC(=O)N2CC[C@@H](S(N)(=O)=O)C2)C1 1332031880 GJOJSZUGHZILPX-NWDGAFQWSA-N 314.411 -0.844 30 20 DBED C#CC[C@H](CO)NC(=O)[C@@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F 1332364438 CUHABWVCELKKMX-HLTSFMKQSA-N 313.297 -0.290 30 20 DBED N#CCCN1CCN(C(=O)C(=O)NCCOCCF)CC1 1332800103 JHAQZBXJITWUBZ-UHFFFAOYSA-N 300.334 -0.853 30 20 DBED CCOC[C@H]1CN(C(=O)C(=O)Nc2cnn(CC#N)c2)CCO1 1335299590 XIHRCYAFHPXOSM-GFCCVEGCSA-N 321.337 -0.391 30 20 DBED C=CCN(C)c1nnc(CCN(C)S(N)(=O)=O)n1CC=C 1342299920 RPUVDPOBJSIPJA-UHFFFAOYSA-N 314.415 -0.236 30 20 DBED C#C[C@H](NC(=O)C(=O)NC[C@@H](OC)C(F)(F)F)[C@@H]1CCCO1 1347010938 FQCPNHZRWOTTDB-LPEHRKFASA-N 322.283 -0.023 30 20 DBED CNC(=O)[C@@H]1CCC[C@H]1NC(=O)C(=O)N[C@@H]1CC[C@H](C#N)C1 1349033114 ZAEGZPUKEZPKDQ-IRCOFANPSA-N 306.366 -0.174 30 20 DBED CON(C)C(=O)[C@@H](C)NC(=O)C(=O)Nc1ccc(C#N)cn1 1351606087 SMPRMPZHPSVEDP-MRVPVSSYSA-N 305.294 -0.584 30 20 DBED C=C(Cl)CNC[C@H](O)CNC(=O)C[C@H]1CCCC(=O)N1 1367608911 WKAATQFJWYHHAX-MNOVXSKESA-N 303.790 -0.136 30 20 DBED Cc1ccn(CC(=O)N[C@H](C)CNC(=O)[C@H](C)C#N)c(=O)c1 1376966594 SWPOZPDSSWGAEB-VXGBXAGGSA-N 304.350 -0.063 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CN(C)C(=O)COc1cccnc1 1384245490 LIQRUBXGSSXUMU-RYUDHWBXSA-N 320.349 -0.444 30 20 DBED CNC(=O)CCCC(=O)NC[C@@]1(O)CCN(C(=O)[C@H](C)C#N)C1 1390429749 TVUPNVCLJZRBNU-ABAIWWIYSA-N 324.381 -0.858 30 20 DBED C[C@H](C#N)C(=O)NCCN1CCN(C(=O)c2cocn2)CC1 1407451567 ZTWNNTVPFNRVQH-LLVKDONJSA-N 305.338 -0.292 30 20 DBED N#Cc1cn(CC(=O)N2CC3(CCOCC3)C2)c(=O)nc1O 1412811554 ZDSGWAIUFWMVAV-UHFFFAOYSA-N 304.306 -0.540 30 20 DBED C[C@@H]1C[C@@H](C)[C@H](C(=O)NCCn2cc(C#N)c(O)nc2=O)O1 1418535822 CFOPHUNUUJTXKN-FXPVBKGRSA-N 306.322 -0.250 30 20 DBED C=C(Cl)CN1CC[C@@](O)(CNC(=O)c2nccnc2N)C1 1421339921 MYQGVVKZHAQXCV-CYBMUJFWSA-N 311.773 -0.022 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](CNC(=O)C1(NC(N)=O)CC1)C1CC1 1427913426 UXDJEHVAZRYZMR-WCBMZHEXSA-N 307.354 -0.642 30 20 DBED COC[C@H](OC)C(=O)N1CC(NC(=O)c2cc(C#N)c[nH]2)C1 1430174965 YCPXHQTUUBLJPV-LBPRGKRZSA-N 306.322 -0.512 30 20 DBED N#CCOc1ccc(NC(=O)Cn2cnc(C(N)=O)n2)cc1 1434653745 HGQCLNRZGYJEPY-UHFFFAOYSA-N 300.278 -0.082 30 20 DBED C[C@H](C#N)C(=O)NCCN1CCN(CCn2cncn2)CC1 1441044792 KFBBRNSAEUWBPP-CYBMUJFWSA-N 305.386 -0.828 30 20 DBED CC(=O)NCC(=O)NC[C@@H]1CN(C(=O)[C@H](C)C#N)CCCO1 1452437732 RKKGKVULMKYJDA-ZYHUDNBSSA-N 310.354 -0.984 30 20 DBED N#Cc1ccc(N2CCN(CCC(=O)NC(N)=O)CC2)cn1 1460746454 UCRCRIHCUHQXGP-UHFFFAOYSA-N 302.338 -0.340 30 20 DBED C#CCN1CCN(c2nnc(C(N)=O)n2CCCOCC)CC1 1516323945 XKYAXYHUYOZMLR-UHFFFAOYSA-N 320.397 -0.441 30 20 DBED C[C@@H](CNC(=O)NC1CCN(CC#N)CC1)N1CCN(C)CC1 1528246930 SJFPJWSBDOAKMK-AWEZNQCLSA-N 322.457 -0.091 30 20 DBED C#CCOCCC(=O)N[C@H]1C[C@H](N=c2cc[nH]c(C(=O)O)n2)C1 1573311682 WJGDTJVOMLNLHY-XYPYZODXSA-N 318.333 -0.304 30 20 DBED C=CCCn1cc(C(=O)NC2CN(C(=O)CNC(=O)O)C2)nn1 1573360178 JOOFKEAGRBNSNZ-UHFFFAOYSA-N 322.325 -0.938 30 20 DBED CC#CC[C@H](N)C(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1 1574961994 CHYJNAQHTZGRTQ-ZDUSSCGKSA-N 315.377 -0.430 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2Cc1cnn[nH]1 1574985648 HVDXYXQYVPNPKH-KKUMJFAQSA-N 314.393 -0.313 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(CCc2cnn[nH]2)C[C@H]1O 1575112593 VNNNXFJVXGOIQF-SYQHCUMBSA-N 321.381 -0.900 30 20 DBED COCC#CCNC[C@@H](C)N(C)C(=O)[C@H](C)OCc1cnn[nH]1 1576954675 YMLLZDAQZDHEML-OLZOCXBDSA-N 323.397 -0.204 30 20 DBED Cn1cc(C(=O)N2CCNC[C@@H]2C#N)c(=O)c2cnn(C)c21 1579958202 BQHGMBJBUQSJQB-VIFPVBQESA-N 300.322 -0.790 30 20 DBED C=CCOCC(=O)NCCN(C)c1cnc(-c2nn[nH]n2)cn1 1588675461 FNHAQXAHCKTLFU-UHFFFAOYSA-N 318.341 -0.588 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N1CCC([C@H](O)C(=O)O)CC1 1589330618 LBMGDFCRFCQTST-KOLCDFICSA-N 319.383 -0.520 30 20 DBED CN(C[C@@H]1CCN1CC#N)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 1591063320 FCPBFNPJQXHZDG-JTQLQIEISA-N 300.326 -0.135 30 20 DBED N#C[C@@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NCc1nn[nH]n1 1592666047 LKQXKFQJKFTCIG-SNVBAGLBSA-N 324.308 -0.622 30 20 DBED COc1cc(C#N)ccc1S(=O)(=O)N1CC(O)(C(=O)O)C1 1599350400 PCAYCNWNUXCVAE-UHFFFAOYSA-N 312.303 -0.613 30 20 DBED N#CC[C@]1(O)CCN(C(=O)NCCC(=O)NCCC(=O)O)C1 1601063199 RZAONSHLINSYRQ-ZDUSSCGKSA-N 312.326 -0.973 30 20 DBED N#Cc1cnn2cc(CN3C[C@H](O)C[C@@H](C(=O)O)C3)cnc12 1601131415 ZVHJRLAULSEQJM-ZYHUDNBSSA-N 301.306 -0.132 30 20 DBED O=C(CCN/C(O)=C1/N=CC=CC1=O)N[C@H]1C[C@@H](C(=O)O)C1 1601280023 UXBJEPVHIUPLDU-BKXSCRNESA-N 307.306 -0.118 30 20 DBED C[C@@H]1COCCN1CCn1c(N)nc(-c2nn[nH]n2)c1C#N 1603947497 HZYNJZGNBIGIEB-MRVPVSSYSA-N 303.330 -0.762 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCO[C@@H](CC(=O)O)C1 1609994046 TUXXQLFOXMAUEQ-QWRGUYRKSA-N 319.383 -0.112 30 20 DBED C#CCNC(=O)[C@H](C)N(C)CCNC(=O)c1cccc(O)n1 1753044723 PINWKCAHTVUGLT-NSHDSACASA-N 304.350 -0.413 30 20 DBED COCC#CCN1CCC[C@H]1CNC(=O)c1cnn(C)c1N 1753101367 PDLRMUAWHJZCDX-LBPRGKRZSA-N 305.382 -0.154 30 20 DBED COCC#CCNC[C@@H](C)CNC(=O)c1cccn2nnnc12 1753616394 CUCGFBZLIWKJCY-GFCCVEGCSA-N 316.365 -0.270 30 20 DBED C#CCNC(=O)CNC[C@H]1CCC[C@H]1NC(=O)Cc1cc[nH]n1 1753882320 KOICASCSJDLWON-TZMCWYRMSA-N 317.393 -0.424 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@H](O)CNC(=O)/C=C/c1ccc[nH]1 1753909979 NRMFHDZBRVZTGP-UTTOWCGFSA-N 318.377 -0.768 30 20 DBED CC(C)C#CC(=O)NC[C@@H](O)CN[C@@H]1CCN(C(C)C)C1=O 1753911399 PPMBPPVZXUCDGE-UONOGXRCSA-N 309.410 -0.278 30 20 DBED N#CCNC(=O)CN1CC[C@](O)(CNC(=O)CCC2CCC2)C1 1754750085 LOMOGZUUQRODQZ-INIZCTEOSA-N 322.409 -0.241 30 20 DBED C#CCN1CCC[C@H](NC(=O)CN(C)S(=O)(=O)CC)CC1 1755030766 GWJMNUSWIVTONE-ZDUSSCGKSA-N 315.439 -0.128 30 20 DBED N#CCNC[C@@H]1CC2(CCN(C(=O)C3(C(N)=O)CC3)CC2)CO1 1755462853 AGTNMEYZVDAEKG-LBPRGKRZSA-N 320.393 -0.237 30 20 DBED C[C@@H](CN(C)C(=O)C[C@@H]1CCCOC1)NCC(=O)NCC#N 1755618798 ZMKFPXHZCBDXFG-STQMWFEESA-N 310.398 -0.121 30 20 DBED CC(C)(C(N)=O)C(=O)NC[C@@H](CO)NCc1ccc(C#N)s1 1755632210 QLKSSJOFCVLIRQ-VIFPVBQESA-N 324.406 -0.302 30 20 DBED C#CCNC(=O)CN[C@@H](CO)CNC(=O)[C@H]1CC12CCCC2 1755643349 JVIUKNHUCQQWKL-CHWSQXEVSA-N 307.394 -0.617 30 20 DBED C=CCN[C@H](CO)CNC(=O)c1cn(C[C@H]2CCOC2)nn1 1755644005 VLNLYZMQMQNAJY-NEPJUHHUSA-N 309.370 -0.819 30 20 DBED C=CCNC(=O)[C@H](C)NC[C@H](O)CN(C)C(=O)c1ncc[nH]1 1755777433 JWDGYCDREZMTEE-QWRGUYRKSA-N 309.370 -0.877 30 20 DBED C=CC(C)(C)C(=O)N[C@@H](CO)CNC(=O)[C@H]1CCCC(=O)N1 1756528748 UMCKMSGGIPJVAO-GHMZBOCLSA-N 311.382 -0.539 30 20 DBED CCNC(=O)CC(=O)NC[C@@H](O)CN(C)C(=O)C#CC(C)C 1756662718 MYRUZHAXDZSPJZ-GFCCVEGCSA-N 311.382 -0.893 30 20 DBED C=CCCO[C@@H](C)C(=O)N1C[C@H](O)[C@H](NC(=O)CCOC)C1 1757152062 PGSKPNNKKBOAPJ-XQQFMLRXSA-N 314.382 -0.308 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)N(C)CC)CCO2 1783053903 ADHLCASKKHIIKR-BBRMVZONSA-N 307.394 -0.210 30 20 DBED O=C1NC[C@@H](C(=O)N2CC3(CCCN3C(=O)C#CC3CC3)C2)O1 1841540110 UFDRWXFLWCETBD-LBPRGKRZSA-N 317.345 -0.288 30 20 DBED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)[C@H](C)CN)C1 1842866576 GQNZWSLWPDDKCM-CHWSQXEVSA-N 307.394 -0.177 30 20 DBED COC(=O)c1cc(C#N)c(=O)n(CC(=O)NC[C@H]2CCCO2)c1 25962533 SQGJHPZOOMUZRK-GFCCVEGCSA-N 319.317 -0.198 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N(C)C2CC2)c1=O 66409297 VSALPLLJNKBUEO-UHFFFAOYSA-N 320.349 -0.836 30 20 DBED CNC(=O)CN1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 126112465 OKZXHSIHDTWOKJ-UHFFFAOYSA-N 322.390 -0.389 30 20 DBED C/N=C(/NCc1cnc(N(C)C)n1C)N[C@@H]1CCC(=O)N(C)C1 262824432 XURBCLWDWYPYCY-LLVKDONJSA-N 321.429 -0.228 30 20 DBED CS(=O)(=O)C1(CNS(=O)(=O)c2cncc(C#N)c2)CC1 290077659 GQMRRZFCVHUCSY-UHFFFAOYSA-N 315.376 -0.191 30 20 DBED C/N=C(/O)C1CN(C(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccnn2C)C1 329142927 VHXBLOSBGNOIQF-MFKMUULPSA-N 319.365 -0.016 30 20 DBED Cc1cnn(CC/N=C(/O)N2CC[C@@]3(C2)N=C(O)N(C)C3=O)c1 329270616 HNWNHHAOCMMMAS-AWEZNQCLSA-N 320.353 -0.064 30 20 DBED C[C@@H](CNS(=O)(=O)CC1(C#N)CC1)N1CCN(C)CC1 329276686 CDJVXQYEXXRRMR-LBPRGKRZSA-N 300.428 -0.155 30 20 DBED CCS(=O)(=O)N1CCC(/N=C(/O)N2CC(=O)N(C)C2)CC1 329751541 VSGJPIHPCAYFNA-UHFFFAOYSA-N 318.399 -0.554 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N(C)[C@@H](C)CN1CCOCC1 330373677 BLLSJOCITKIZFO-OLZOCXBDSA-N 318.443 -0.025 30 20 DBED CNS(=O)(=O)c1cc(C(=O)N2CCN(CC#N)CC2)co1 330464229 UWDHFYHCDMULGA-UHFFFAOYSA-N 312.351 -0.531 30 20 DBED COC(=O)[C@@H](O)C(C)(C)NS(=O)(=O)N(C)[C@@H](C)CC#N 332518475 QJZFABDSDGYISE-DTWKUNHWSA-N 307.372 -0.633 30 20 DBED N#C[C@H]1CN(S(=O)(=O)N2CCC(CCCO)CC2)CCO1 336893861 LLDOHORRWCRQTG-ZDUSSCGKSA-N 317.411 -0.060 30 20 DBED CSCC[C@H](CO)NS(=O)(=O)N1CCO[C@@H](C#N)C1 336897970 OWRHKZNAIPAJCI-ZJUUUORDSA-N 309.413 -0.841 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)NC[C@@H]1CCCS1(=O)=O 336940853 JKWAWRVPBXAUCK-UWVGGRQHSA-N 309.413 -0.511 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@H](C(=O)OC)C1CC1 337060470 GIXCDFPJYAXPGQ-NSHDSACASA-N 319.383 -0.366 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)NCC(=O)NCC(F)F 337161618 UTJRDCWFCYLLSK-QMMMGPOBSA-N 312.342 -0.316 30 20 DBED C=CCNC(=O)NC(=O)CN[C@H](C1CC1)[C@]1(CO)CCCO1 339763296 QTLYDZAKMMNVHW-UKRRQHHQSA-N 311.382 -0.092 30 20 DBED COC(=O)[C@H]1CNC(=O)CN1C(=O)c1ccc(CC#N)cc1 344855915 LFCRDDIFXCRBGV-GFCCVEGCSA-N 301.302 -0.134 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)Nc2nnc(C)n2C)C1=O 345381614 RYMFEIDETHGZOZ-UHFFFAOYSA-N 306.282 -0.961 30 20 DBED CN(CC(=O)NCC#N)C[C@@H]1C[C@@H](F)CN1Cc1ncccn1 348119503 MSKXQHRMBHFCFM-OLZOCXBDSA-N 320.372 -0.039 30 20 DBED C=CCCC[C@@H](C)NC(=O)C(=O)N1CCO[C@H](C(=O)NC)C1 352316471 UXHNKIOWPNHRJS-NEPJUHHUSA-N 311.382 -0.179 30 20 DBED C=CCN(CCOC)C(=O)C(=O)Nc1ccn(CCC#N)n1 362029358 SBGXNFDTYVYETB-UHFFFAOYSA-N 305.338 0.396 30 20 DBED N#CC1(C(=O)NCCN2CCCS2(=O)=O)CCOCC1 405886976 AEWKRWWBZBOCBK-UHFFFAOYSA-N 301.368 -0.542 30 20 DBED C[C@H](O)CN1CCN(S(=O)(=O)N(C)[C@@H](C)CC#N)[C@@H](C)C1 407976098 SHWAGOKZILZBLI-AVGNSLFASA-N 318.443 -0.148 30 20 DBED C=C[C@@H](CO)NC(=O)NC[C@H](N1CCNCC1)C(F)(F)F 418618294 OHMKLNRCFGQAAN-UWVGGRQHSA-N 310.320 -0.331 30 20 DBED Cc1ncc(S(=O)(=O)N2[C@@H](CO)CC[C@@H]2CO)cc1C#N 489871187 JPOUWGZQKDEXTB-VXGBXAGGSA-N 311.363 -0.232 30 20 DBED C#CCNC(=O)CN1CCN(Cc2ncnn2C(C)(C)C)CC1 491148872 XSFFZZFJGBEXCC-UHFFFAOYSA-N 318.425 -0.100 30 20 DBED C#CCN1CCN(C(=O)CN2C[C@H](SC)[C@H](N(C)C)C2)CC1 491181652 VFUNVHDKVLLKRD-CABCVRRESA-N 324.494 -0.259 30 20 DBED CCOC(=O)[C@](C)(O)CNS(=O)(=O)CC1(CC#N)CC1 568267314 DNWHODRRLAFQIM-LLVKDONJSA-N 304.368 -0.086 30 20 DBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC/C=C\CO 597992783 NRZHZCHMNGGRAJ-QUCGXOGASA-N 323.374 -0.110 30 20 DBED Cc1ccc(C#N)cc1NC(=O)C(=O)N1C[C@@H](CO)[C@H](CO)C1 600011212 QEYTUEJNKVQCOI-STQMWFEESA-N 317.345 -0.136 30 20 DBED COC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1ccc(C#N)cn1 609344391 NVXYOBBZTACDLS-LLVKDONJSA-N 302.290 -0.543 30 20 DBED COCC(=O)N(C)CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 611147483 RXFMQHOGCPFFMH-CYBMUJFWSA-N 310.398 -0.216 30 20 DBED CCN1CCN(CC(=O)N2CCC[C@](C)(C#N)C2)C(=O)C1=O 612369360 RRVWAQQIBQKKFB-OAHLLOKOSA-N 306.366 -0.171 30 20 DBED Cn1ccnc(NC(=O)NCCCc2[nH]nc(N)c2C#N)c1=O 612586541 BNCAIWOQVVDYJB-UHFFFAOYSA-N 316.325 -0.288 30 20 DBED C#CCN1CCN(C(=O)[C@H](NS(C)(=O)=O)C(C)C)CC1 733260824 LRFKWUHJINKFDK-GFCCVEGCSA-N 301.412 -0.662 30 20 DBED C[C@@H](O)[C@@H](NC(=O)C(C)(C)C)C(=O)OCC(=O)NCCC#N 745703023 NOWMDQSHPQGIBW-MWLCHTKSSA-N 313.354 -0.529 30 20 DBED C#CCN1CCN(C(=O)c2cc(S(N)(=O)=O)cn2C)CC1 760430817 SIOZIJDNYFBNTP-UHFFFAOYSA-N 310.379 -0.937 30 20 DBED CON=CC(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 774378384 WCXLVGXWWNUHAY-UHFFFAOYSA-N 318.333 -0.493 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@@H]1CCc2c[nH]nc2C1)[C@H]1CCCO1 806306016 ZISQEFSWASADGQ-MBNYWOFBSA-N 316.361 -0.320 30 20 DBED C#C[C@H](NC(=O)C(=O)N(CCO)C1CCOCC1)[C@H]1CCCO1 809310672 DGEGMXZUGRRRJY-UONOGXRCSA-N 324.377 -0.717 30 20 DBED CC#CCS(=O)(=O)NC(=O)c1c(C)nn(C)c1-n1cccn1 810774774 QPFHPQGXPKNTJR-UHFFFAOYSA-N 321.362 -0.003 30 20 DBED CC#CCS(=O)(=O)NC(=O)COCc1nnc(C)s1 810776402 RPEVESNGBWAMJP-UHFFFAOYSA-N 303.365 -0.168 30 20 DBED C[C@]12CCC(=O)N1[C@@H](C(=O)N[C@@H]1CCCN(O)C1=O)CS2 820482422 JPWXNNAVOONUBQ-KKFJDGPESA-N 313.379 -0.063 30 20 DBED Cn1cc(S(=O)(=O)N2CCN(CC#N)CC2)cc1C(=O)O 833053782 PZTHCSOPDGVYJS-UHFFFAOYSA-N 312.351 -0.447 30 20 DBED C#Cc1cccc(CNC(=O)C(=O)N2CCO[C@H](CN)C2)c1 842032417 CQANVFAHHOYBKM-CQSZACIVSA-N 301.346 -0.530 30 20 DBED C#CCn1cc(CNS(=O)(=O)N2CCOC(C)(C)C2)cn1 882347701 NTIZDHVNUHUTCS-UHFFFAOYSA-N 312.395 -0.039 30 20 DBED C#CCN1CCC[C@@H](NS(=O)(=O)[C@@H](C)C(=O)N(C)C)C1 885512198 UAZFKYXKTXEYFK-NWDGAFQWSA-N 301.412 -0.520 30 20 DBED C#CCN1CCC[C@@H](NC(=O)N2CCO[C@@H](CNC(C)=O)C2)C1 890370658 DZIMSJSFCWBXDQ-CABCVRRESA-N 322.409 -0.370 30 20 DBED N#Cc1ccccc1OC[C@@H](O)CNCCN1CCNC1=O 905480484 HGKVAPRAAKEWPF-ZDUSSCGKSA-N 304.350 -0.087 30 20 DBED COC(=O)c1c[nH]nc1S(=O)(=O)N=c1cc[nH]cc1C#N 912563088 SWNZWBITQCZIFP-UHFFFAOYSA-N 307.291 -0.314 30 20 DBED C[C@@H](C#N)C(=O)N1CCCC[C@@H](NC(=O)Cn2cnnn2)C1 943076737 ZBEKXQPIDYFWQI-WDEREUQCSA-N 305.342 -0.670 30 20 DBED CC#CCN1C[C@H]2CCN(C(=O)[C@H]3CNC(=O)N3)CC[C@H]2C1 946743207 PDPHANIJQOJCSS-HZSPNIEDSA-N 304.394 -0.139 30 20 DBED CN1C[C@H](C(=O)N2CCC3(CC2)CN(CC#N)CCO3)NC1=O 949433308 NSAIFWPOKTZNLE-GFCCVEGCSA-N 321.381 -0.773 30 20 DBED C#CCCN1C[C@@H](O)[C@@H](CNC(=O)c2n[nH]c3c2CCC3)C1 958210120 HPKPSESROVZWEB-SMDDNHRTSA-N 302.378 -0.056 30 20 DBED C#CCCN1C[C@H](O)[C@H](CNC(=O)c2cnn(C)c2OC)C1 958624935 FUVCRNIKGLGVLY-YPMHNXCESA-N 306.366 -0.526 30 20 DBED CN(C(=O)[C@@H]1CC(=O)NC(=O)N1)C1CCC(NCC#N)CC1 964006520 SMOBFRMOEIADPJ-ILDUYXDCSA-N 307.354 -0.533 30 20 DBED C#CCCN1C[C@H]2CC[C@H]1CN2C(=O)CN1CCOCC1=O 971468512 ASVHCUJLAVZBNW-UONOGXRCSA-N 305.378 -0.456 30 20 DBED C#CCN1C[C@H]2CC[C@H]1CN2C(=O)[C@H]1CCN(C)S1(=O)=O 971911702 MGKJFQNVBGYNSN-YNEHKIRRSA-N 311.407 -0.671 30 20 DBED CC#CCN1CCO[C@]2(CCN(C(=O)[C@H]3CCCNC3=O)C2)C1 972420357 SUYQGGQHXDBQSQ-WMLDXEAASA-N 319.405 -0.161 30 20 DBED CC1(C)CN(CC#N)C[C@@H]1NC(=O)[C@@H]1Cc2cncn2C(=O)N1 974878999 NAUWLPVZDMEKBE-RYUDHWBXSA-N 316.365 -0.284 30 20 DBED C=C(C)CN1C[C@H]2[C@H](CNC(=O)[C@H]3CCS(=O)(=O)N3)[C@H]2C1 979072500 KKGDXTWGMBOGEY-FVCCEPFGSA-N 313.423 -0.452 30 20 DBED CC(=O)N1CCOC[C@@H]1C(=O)NCC1[C@H]2CN(CC#N)C[C@H]12 979092570 QBIBUZJYUXZTIP-MGPQQGTHSA-N 306.366 -0.949 30 20 DBED C#CCN(C)[C@H]1CCN(C(=O)c2cn(CC(=O)N(C)C)nn2)C1 980483685 ROWPRDYVXPXINY-LBPRGKRZSA-N 318.381 -0.854 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 983077664 AXOCFBTVCYWBKO-MNOVXSKESA-N 308.382 -0.155 30 20 DBED C#CCN[C@@H]1CCN(C(=O)CN2C(=O)NC(C)(C)C2=O)[C@H]1C 987460860 TYFCKSWQUVJICC-WDEREUQCSA-N 306.366 -0.471 30 20 DBED C=CCn1cc(C(=O)NC2CN(C(=O)c3cc[nH]n3)C2)nn1 991673673 NUFYHCICULFWCI-UHFFFAOYSA-N 301.310 -0.558 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CCNC2=O)C1 992075170 UCYRTJQPXNACBL-UPJWGTAASA-N 321.377 -0.569 30 20 DBED C=CCn1cccc1C(=O)N1CC(NC(=O)[C@H]2CCNC2=O)C1 997434679 MJQPULNRORMAEI-LBPRGKRZSA-N 316.361 -0.249 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@H]1CN2C(=O)Cn1ncnn1 1007335933 VZUGOYJLQZXSQA-AXFHLTTASA-N 303.326 -0.965 30 20 DBED C=C(C)CN1CCC[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C1 1007457571 QVPVWYDHQMBBHJ-CYBMUJFWSA-N 320.393 -0.296 30 20 DBED C[C@H](NC(=O)c1cnn[nH]1)[C@H]1CN(C(=O)C#CC2CC2)CCO1 1009692543 YQHYMNJYNREQEJ-GXFFZTMASA-N 317.349 -0.436 30 20 DBED N#Cc1ccc(C(=O)N2CCN(C(=O)[C@H]3CCNC3=O)CC2)[nH]1 1011020395 REPHEJYNRMTUDX-NSHDSACASA-N 315.333 -0.693 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)CC1 1012332346 AIOVFPPMOWLLTR-TUAOUCFPSA-N 306.366 -0.282 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CCN(C(=O)CCn3cncn3)[C@@H]2C1 1021096842 KVBTWAUARNJPSK-FRRDWIJNSA-N 316.365 -0.113 30 20 DBED C=CCn1cc(C(=O)N[C@H]2C[C@@H](NCc3cnn(C)n3)C2)nn1 1022825234 WHVDBWURGPWLIF-PHIMTYICSA-N 316.369 -0.357 30 20 DBED C#CCCN1CCC[C@H](CNC(=O)c2cn(CC(N)=O)nn2)C1 1023763596 UXQPMLODWABMFK-GFCCVEGCSA-N 318.381 -0.772 30 20 DBED CCc1nn(C)cc1C(=O)N[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1O 1024194441 OCKKNTWASDOUOR-OASPWFOLSA-N 319.365 -0.556 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2CC(=O)N1CCOCC1 1032316995 MLXSGUNCAFNSFV-AVGNSLFASA-N 306.366 -0.710 30 20 DBED C=CCN1CC[C@@H](NCC[C@@H]2CCCCN2C(=O)C(N)=O)C1=O 1036330661 SOXYEWOOGWXOSI-QWHCGFSZSA-N 322.409 -0.381 30 20 DBED C#CCCCC(=O)NC[C@]1(O)CCN(C(=O)c2ccnnc2)C1 1039576787 XTTZGAMYLHDDLK-MRXNPFEDSA-N 316.361 -0.027 30 20 DBED C=C(C)CCC(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2CNC(=O)N2)C1 1039986358 BHMRTEHXUKWAMI-XHDPSFHLSA-N 324.381 -0.896 30 20 DBED N#CCN1CCC[C@]2(CCN(C(=O)C[C@H]3CC(=O)NC3=O)C2)C1 1040557805 ZRZWFKMHWQKYHQ-WBMJQRKESA-N 318.377 -0.123 30 20 DBED C[C@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)c2ncccn2)C1 1040758602 ARDULIYIQZMEDF-QMTHXVAHSA-N 303.322 -0.671 30 20 DBED C[C@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)COCC2CC2)C1 1040763616 QLEWPYYMQPVRFY-IAQYHMDHSA-N 309.366 -0.348 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2cccnc2)C1 1041199116 AUTJYQQXWUAXKT-LBPRGKRZSA-N 319.361 -0.024 30 20 DBED C=CCC(CC=C)C(=O)N1CC(O)(CNC(=O)CNC(C)=O)C1 1041209443 MNFZAUCGESORIS-UHFFFAOYSA-N 323.393 -0.420 30 20 DBED C#CCCN1CC[C@@]2(CCN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)C1 1041368904 SHIJXQCCMGUZTC-BLLLJJGKSA-N 318.377 -0.468 30 20 DBED C[C@H](C#N)C(=O)N1CCCO[C@@H](CN=c2cc[nH]c(C#N)n2)C1 1041483633 UBOMBUKLVYSJQO-NEPJUHHUSA-N 314.349 -0.041 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)c2cnc(C)[nH]2)C1 1042087467 CQWJFYGDJALPJG-UHFFFAOYSA-N 320.349 -0.939 30 20 DBED C=CCN1CC[C@H](N2CC(N(C)C(=O)c3cnn(C)c3)C2)C1=O 1042464014 SFEMMFCOILWKLH-AWEZNQCLSA-N 317.393 -0.037 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)c2ccnc(O)c2)C1 1042510955 WWRQIOYJORBWBM-UHFFFAOYSA-N 321.333 -0.707 30 20 DBED Cc1nonc1C(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042964930 QXMUSFHRTAIZIG-UHFFFAOYSA-N 304.306 -0.905 30 20 DBED C[C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1N=c1cc[nH]c(C#N)n1 1043185298 QSADQUJEFDZSIM-GHMZBOCLSA-N 312.337 -0.679 30 20 DBED C=CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)[C@@H](C)OC)C1 1043570213 GRXOMKJCXPMZAX-GHMZBOCLSA-N 300.355 -0.698 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CC(=O)N[C@H](C)C2)C1 1043749945 JLPZIAOERFANSF-NEPJUHHUSA-N 323.393 -0.443 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)COCC(F)F)C1 1043962989 NGIXJUPNLBPNQK-UHFFFAOYSA-N 306.309 -0.076 30 20 DBED CC[C@@H]1OCC[C@H]1C(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1044617656 JKSYNTCLTNNKLC-KGLIPLIRSA-N 320.389 -0.096 30 20 DBED C#CCN[C@H]1CCN(C(=O)CN2C(=O)NC(C)(C)C2=O)[C@@H](C)C1 1044845054 SDAVUDWFEXXLSC-RYUDHWBXSA-N 320.393 -0.081 30 20 DBED C=CCCCC(=O)NCC1(O)CN(C(=O)[C@@H](C)n2cncn2)C1 1045451618 YPBMVOHDDGXFCG-GFCCVEGCSA-N 321.381 -0.115 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)CCCCC(N)=O)C1 1046613508 LBHMKXXLVCLCBP-UHFFFAOYSA-N 323.393 -0.619 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)[C@H]1CN(C(=O)C(F)F)C[C@@H]1O 1048852665 RGNDTGMFHKBWMP-GUBZILKMSA-N 304.293 -0.680 30 20 DBED C=CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCNC2=O)C1 1049159974 YRYANKXBPQRXRZ-AVGNSLFASA-N 323.393 -0.491 30 20 DBED N#CCN1CCOC[C@H]1CNC(=O)c1noc2c1COCC2 1051254922 OOCIUEUGBCTZAA-SNVBAGLBSA-N 306.322 -0.299 30 20 DBED C[C@@H](O)CN1CCN([C@@H]2CCN(C(=O)C#CC3CC3)C2)CC1 1052027214 YTRFNBWFVPWJFJ-GDBMZVCRSA-N 305.422 -0.001 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)[C@H]1CC(=O)N(CC)C1)CCO2 1053278831 ACFSOYSZFOGVCU-AWEZNQCLSA-N 319.405 -0.209 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)[C@@]1(C)CCC(=O)NC1)CCO2 1053388772 BQKUUGDXGPABER-INIZCTEOSA-N 319.405 -0.161 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC2(CN(CCO)C2)O1 1053662997 CHFGFMAEWFNKAM-MJBXVCDLSA-N 310.394 -0.081 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)[C@H]3CCC(=O)N3C)CO2)C1 1053905060 VHIKXDJJJYHJPC-QWHCGFSZSA-N 305.378 -0.410 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)c3cc(C(N)=O)c[nH]3)CO2)C1 1053967769 DPUWGHTUZXCZGC-NSHDSACASA-N 302.334 -0.680 30 20 DBED C=CCOCC(=O)N1CCC[C@](CO)(NC(=O)CCOC)C1 1055661521 KIIXAGGDWHBZHG-HNNXBMFYSA-N 314.382 -0.305 30 20 DBED N#Cc1ccc(N2C[C@H]3C(NC(=O)Cc4nc[nH]n4)[C@@H]3C2)cn1 1056298673 YEQGCHONOOYCKT-VXGBXAGGSA-N 309.333 -0.135 30 20 DBED N#Cc1cccnc1N1C[C@H]2[C@H](NC(=O)[C@@H]3CCNC3=O)[C@H]2C1 1056355476 KUWAVWPERGDODN-NDBYEHHHSA-N 311.345 -0.360 30 20 DBED CC(C)(C(N)=O)C(=O)N1CC[C@@H](N=c2cc[nH]c(C#N)n2)C1 1056720178 BKDDAHSUMQYYFU-SECBINFHSA-N 302.338 -0.706 30 20 DBED Cn1ccc(C(=O)N(CCO)CCNC(=O)CSCC#N)c1 1057341488 HBLKEQQPABYCKU-UHFFFAOYSA-N 324.406 -0.167 30 20 DBED C=C[C@H](C)[C@H](C)C(=O)NCCN(CCO)C(=O)c1ncn(C)n1 1057498465 DWRSUBGOCGZDAD-RYUDHWBXSA-N 323.397 -0.176 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)c1ncn(C)n1 1057517050 JDIHJMFEDIKWMG-UHFFFAOYSA-N 307.354 -0.975 30 20 DBED C=CC(C)(C)C(=O)NCCN(CCO)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1057545047 STNBDTJHEUFQHG-GHMZBOCLSA-N 313.354 -0.199 30 20 DBED Cn1nnc(C(=O)N2CCC[C@@H](N=c3cc[nH]c(C#N)n3)C2)n1 1057737821 JJOJAULLPOPFLE-SECBINFHSA-N 313.325 -0.990 30 20 DBED C=C[C@](C)(O)CC(=O)NCCN(CCO)C(=O)c1cncn1C 1058029337 AZGZNMLUQSOMLQ-HNNXBMFYSA-N 324.381 -0.702 30 20 DBED CCOc1cc(C(=O)N(CCO)CCNC(=O)[C@H](C)C#N)on1 1058116103 IIKWFMZWJWHYNN-SNVBAGLBSA-N 324.337 -0.216 30 20 DBED N#Cc1cncc(N2CCC[C@@H](NC(=O)Cn3ncnn3)C2)n1 1058196913 JBAYSEGZHISJTA-SNVBAGLBSA-N 313.325 -0.880 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 1058654585 BJFCBOXSTAQYFY-XDQVBPFNSA-N 323.393 -0.102 30 20 DBED CCn1ccc(C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N)n1 1058658861 NABODPVCXIOWDE-NSHDSACASA-N 307.354 -0.387 30 20 DBED N#Cc1nccnc1N[C@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1 1058935331 GSQWVZOMAHHPGO-UWVGGRQHSA-N 300.322 -0.360 30 20 DBED C=CCOCC(=O)NCC[C@@H]1CCN(C(=O)CNC(N)=O)C1 1059119166 OGDLJJSGPYJDKI-LLVKDONJSA-N 312.370 -0.788 30 20 DBED CS(=O)(=O)CC(=O)N1CC[C@@H](CNc2nccnc2C#N)C1 1060824679 HPLANJGXBSCRCV-JTQLQIEISA-N 323.378 -0.347 30 20 DBED C=CCOCC(=O)NC[C@@H]1COCCN1C(=O)c1nc(C)c[nH]1 1061425803 IGOVDJOTQMPPAF-GFCCVEGCSA-N 322.365 -0.122 30 20 DBED Cc1nc(N2C[C@@H]3C[C@H]2CN3C(=O)Cn2ncnn2)ccc1C#N 1062531591 OCVGUAWEWOYERN-STQMWFEESA-N 324.348 -0.262 30 20 DBED NC(=O)NC1(C(=O)NC2(CNC(=O)C#CC3CC3)CCC2)CC1 1062974232 SBGBNFXUAHLISF-UHFFFAOYSA-N 318.377 -0.244 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@H]1CN(C(=O)CCOC)CCO1 1064706861 YXRMWAQNAVCMAO-SWLSCSKDSA-N 314.382 -0.306 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CN(C(=O)CNC(=O)C2CC2)CCO1 1064903391 CKJUMTAHZIFICE-CMPLNLGQSA-N 322.365 -0.984 30 20 DBED C#CCCCC(=O)N1CCO[C@@H](CNC(=O)Cc2nc[nH]n2)C1 1065095246 GOZYJWDVADGKPP-LBPRGKRZSA-N 319.365 -0.506 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)Cc2cncn2C)C1 1065556917 LIWLFOACUGEKNF-AAEUAGOBSA-N 319.365 -0.534 30 20 DBED N#Cc1cccnc1N1CCOC[C@@H]1CNC(=O)c1cnn[nH]1 1066530632 LDGRCMAVAAPCEK-NSHDSACASA-N 313.321 -0.293 30 20 DBED C=CCOCC(=O)N1CCC[C@H](NC(=O)Cn2cncn2)CC1 1066550381 ABDFTISQFJPBSA-ZDUSSCGKSA-N 321.381 -0.022 30 20 DBED CNS(=O)(=O)CC(=O)N(C)CCCN(C)C(=O)[C@H](C)C#N 1067475647 HZOIBHZZKZFZGF-SNVBAGLBSA-N 318.399 -0.998 30 20 DBED N#Cc1cccnc1N1C[C@H](O)[C@H](CNC(=O)c2cncnc2)C1 1067664643 FSLQZTXAAIKRBA-KGLIPLIRSA-N 324.344 -0.030 30 20 DBED C[C@H](Nc1cnc(C#N)cn1)[C@H]1CN(C(=O)CC(N)=O)CCO1 1068227638 NXDAJRRAKZDPMF-GXSJLCMTSA-N 318.337 -0.749 30 20 DBED N#Cc1nccnc1NC[C@H]1C[C@H](NC(=O)[C@H]2COC(=O)N2)C1 1068481234 HRDNALWYIYOBMB-FXPVBKGRSA-N 316.321 -0.237 30 20 DBED C=CCOCC(=O)N[C@H]1COC2(C1)CN(C(=O)c1cocn1)C2 1068763747 BCZBQYGKTKLFEP-LLVKDONJSA-N 321.333 -0.023 30 20 DBED C#CCN1CCn2ncc(CNC(=O)c3n[nH]c(C)c3O)c2C1 1069857944 VPBMMQCDIWUAHP-UHFFFAOYSA-N 314.349 -0.001 30 20 DBED N#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)C[C@H]2COC(=O)C2)C1 1069910152 HAELPGJXHGLGKM-UTUOFQBUSA-N 318.337 -0.904 30 20 DBED N#CCN[C@@H]1CN(C(=O)CCn2cccn2)C[C@@H]1n1ccnn1 1070144322 FEMAMPMKPLCQPG-OLZOCXBDSA-N 314.353 -0.570 30 20 DBED C=CCCC1(C(=O)NCC2(NC(=O)C(N)=O)CCOCC2)CC1 1070228746 MEOSDAFTBHQOLZ-UHFFFAOYSA-N 323.393 0.000 30 20 DBED C=CCOCC(=O)N1CCC[C@@H](NC(=O)[C@@H](C)NC(C)=O)C1 1070553205 FHRWNEYIRNMVSN-DGCLKSJQSA-N 311.382 -0.179 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CCCN(C(=O)Cn2ncnn2)C1 1070775830 UPOMBWHWOLIRKM-RISCZKNCSA-N 322.369 -0.893 30 20 DBED C=CCN1C[C@H]2C[C@H]3CN(C(=O)[C@H]4CCC(=O)N4)C[C@@]3(C1)O2 1070776839 XBTNUUWOUDICIY-VPWBDBDCSA-N 305.378 -0.247 30 20 DBED C#CCCN1CCNC(=O)CCN(C(=O)c2nc[nH]n2)CC1 1071009190 DNTXAXBLURVPQC-UHFFFAOYSA-N 304.354 -0.908 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CN(C)C(=O)N2)C1 1071070808 RRHUDGAUABHRIL-OLZOCXBDSA-N 320.393 -0.223 30 20 DBED C=CCOCC(=O)N1C[C@@H](C)[C@@H](NC(=O)c2cnnn2C)C1 1071809456 VBLLXWMHCOVPNP-MNOVXSKESA-N 307.354 -0.406 30 20 DBED CNC(=O)CC(=O)N[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C 1071925114 GXHOIGXRJAXPTE-SKDRFNHKSA-N 317.349 -0.401 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)COCCC)C1 1071936468 PVSZAHOWMLNOJU-OLZOCXBDSA-N 323.393 -0.484 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H](C)[C@@H](NC(=O)CCCF)C1 1071940349 VRLFLDZOYNPJOY-RYUDHWBXSA-N 311.357 -0.161 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC(C)(NC(=O)CC(N)=O)CC1 1073027630 OAOJGYZZHKBXNM-LLVKDONJSA-N 309.366 -0.603 30 20 DBED C=C(C)CN1CCC2(C1)CN(C(=O)CN1CC(=O)N(C)C1=O)C2 1073123074 HMPKSFXLZHXFRI-UHFFFAOYSA-N 320.393 -0.009 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)c3cn(CC)nn3)C[C@H]21 1074370509 BIVYFCIRPSMCPK-ZIAGYGMSSA-N 303.366 -0.154 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CCN(C(=O)c2cn(C)nn2)CC1 1074572330 GCLKBNRJLWHAGS-JTQLQIEISA-N 320.353 -0.942 30 20 DBED C[C@H](C#N)C(=O)N1CCC(O)(CNC(=O)C2=COCCO2)CC1 1074703520 HQFCAUYEUCPKDZ-LLVKDONJSA-N 323.349 -0.496 30 20 DBED C#CCCCC(=O)N[C@@H]1CCN(C(=O)Cn2ncnn2)[C@@H](C)C1 1074962729 CETZDFRZPIQRRO-QWHCGFSZSA-N 318.381 -0.028 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H](C)CCNC(=O)[C@@H]1CCC(=O)N1 1077638725 RLIWMYZUPATARA-TUAOUCFPSA-N 309.366 -0.686 30 20 DBED C#CCN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)c1cn(C)c(=O)n1C)C2 1079113499 CRHMTHRSRZMMHR-JHJVBQTASA-N 302.378 -0.060 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)c2ccnnc2)C[C@@H]1O 1081338958 YRLIXSWTSLXUPB-STQMWFEESA-N 304.350 -0.008 30 20 DBED Cc1ncc(C(=O)NC[C@@H]2CN(C(=O)C#CC(C)C)C[C@@H]2O)[nH]1 1081346244 FZYULJUSSWAUNP-OCCSQVGLSA-N 318.377 -0.073 30 20 DBED Cc1n[nH]cc1C(=O)N1C[C@H](O)[C@H](CNC(=O)C#CC(C)C)C1 1081463846 SNPXTSDBSYPYAF-OCCSQVGLSA-N 318.377 -0.073 30 20 DBED C#CCOCCC(=O)NC[C@H]1CN(C(=O)c2ccoc2)C[C@@H]1O 1081485050 FDDBLETTWAPRNY-KBPBESRZSA-N 320.345 -0.131 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cnon2)C1 1081684650 IVPJAKSNIZCQIX-PWSUYJOCSA-N 306.322 -0.722 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2CN(C[C@@H](C)O)C[C@H]2OC)c1 1082117162 PUTFGAOPIDQXJM-KCPJHIHWSA-N 303.362 -0.127 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1ccc(C(N)=O)nc1 1082395327 RJDHEBMBNMWFRK-VXGBXAGGSA-N 303.322 -0.867 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)C[C@@H]1CCC(=O)NC1 1083104219 WPWNYBGFCZFGMX-SOUVJXGZSA-N 319.405 -0.162 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1nccn2ccnc12 1083196639 AESYZFPIGSGZFA-NWDGAFQWSA-N 312.333 -0.222 30 20 DBED C=CCn1cc(C(=O)N(C)C[C@@H]2CCN2[C@@H](C)C(N)=O)nn1 1085860840 JMNNYJRJSRSPKT-QWRGUYRKSA-N 306.370 -0.516 30 20 DBED N#CCN1CC[C@@H](NC(=O)C23CCCN(CCC2)C3)[C@H](O)C1 1090356741 YAYPSSHKIDIMJT-ZIAGYGMSSA-N 306.410 -0.063 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1O 1090445277 HFCFGBCEHRWZRB-RAIGVLPGSA-N 317.349 -0.395 30 20 DBED C=CCN1CC[C@H](NC(=O)c2cccn3c(O)nnc23)[C@@H](O)C1 1090721335 GAJOOUOGIUPCBD-RYUDHWBXSA-N 317.349 -0.214 30 20 DBED CC(C)OCCC(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1091076924 JWXYKTRJENHIKP-OLZOCXBDSA-N 319.365 -0.171 30 20 DBED COCC[C@H](C)C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1091108405 BVICBXJANBYZJS-TUAOUCFPSA-N 319.365 -0.313 30 20 DBED Cc1cc(=NCCNC(=O)CN2CCCNC2=O)c(C#N)c[nH]1 1094244804 IWGRVWGZAHJWQH-UHFFFAOYSA-N 316.365 -0.373 30 20 DBED CNC(=O)NCCC(=O)NCCCN=c1cc[nH]c(C#N)n1 1094393091 MZZSCBIYMYJMMN-UHFFFAOYSA-N 305.342 -0.993 30 20 DBED COC[C@@H](OC)C(=O)N1CC[C@@H](N=c2cc[nH]c(C#N)n2)C1 1095079780 ITKGEUMHFCEXMH-GHMZBOCLSA-N 305.338 -0.556 30 20 DBED C#CCNC(=O)CC(=O)NCCCN(C)c1ccc(C#N)nn1 1095541233 MNNHTFKAEGTWRP-UHFFFAOYSA-N 314.349 -0.570 30 20 DBED CS(=O)(=O)CC(=O)N[C@H]1CCN(c2ccnc(C#N)n2)C1 1096343678 TXUJXHLDHJZMHM-VIFPVBQESA-N 309.351 -0.912 30 20 DBED N#Cc1cnc(N2CC[C@@H](NC(=O)C(=O)NCC3CC3)C2)cn1 1096417804 UQCYYSQREXYTFT-LLVKDONJSA-N 314.349 -0.431 30 20 DBED COCCO[C@@H](C)C(=O)N[C@H]1C[C@H](N=c2cc[nH]c(C#N)n2)C1 1097065180 PYGJDGPQZUSFIA-SRVKXCTJSA-N 319.365 -0.119 30 20 DBED CCc1nc(C#N)cc(N2CCCC[C@@H]2CNC(=O)C(N)=O)n1 1097457355 CSIJTDBMEUPLLI-LLVKDONJSA-N 316.365 -0.129 30 20 DBED N#CCN(CCO)C1CCN(C(=O)[C@@H]2CCC(=O)NC2)CC1 1098416841 LUNWSUCJPLCGNH-GFCCVEGCSA-N 308.382 -0.679 30 20 DBED C#CCCN(CCO)C1CCN(C(=O)[C@@H]2CC[C@H]2C(N)=O)CC1 1098447386 JNOSCBHXUVZRFK-HUUCEWRRSA-N 321.421 -0.194 30 20 DBED N#CCSCC(=O)N[C@H]1CCN(Cc2cnon2)C[C@H]1O 1099692822 HRLMGQSOWKFSBV-WDEREUQCSA-N 311.367 -0.622 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(CCc2cnn(C)c2)C[C@H]1O 1099738048 HVOMJIKHQKITFY-HUUCEWRRSA-N 322.409 -0.283 30 20 DBED N#Cc1ccc(CN2CC[C@@H](NC(=O)CC(N)=O)[C@H](O)C2)s1 1099758421 SKOIYIDUUQGJHX-VXGBXAGGSA-N 322.390 -0.453 30 20 DBED C#CCN1CC[C@@H](NC(=O)COCc2ccnc(O)c2)[C@@H](O)C1 1099893194 WGFXORYDLVLSOB-KGLIPLIRSA-N 319.361 -0.512 30 20 DBED CN(CCNC(=O)CN1CCCNC1=O)c1cnc(C#N)cn1 1100408318 DFGBPXXVTPWDTB-UHFFFAOYSA-N 317.353 -0.684 30 20 DBED C[C@H](NC(N)=O)C(=O)NC[C@@H]1CCN(c2cnc(C#N)cn2)C1 1100969315 SCAWEHOHOBLQQB-UWVGGRQHSA-N 317.353 -0.652 30 20 DBED CN(CCNc1nccnc1C#N)C(=O)CCn1ccnn1 1101563009 KZHOMZCLUIXQQA-UHFFFAOYSA-N 300.326 -0.100 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1CNC(=O)CCCn1c(O)nnc1O 1102108334 HUFVSXAPGQXIRQ-GHMZBOCLSA-N 322.369 -0.323 30 20 DBED C#CCCN1C[C@@H](C)[C@H](CNC(=O)CN2CCC(=O)NC2=O)C1 1102499031 SETSUFSYFIEJCJ-CHWSQXEVSA-N 320.393 -0.364 30 20 DBED CCn1cc(C(=O)N(C)[C@@H](C)CN=c2cc[nH]c(C#N)n2)nn1 1104652711 PPEZGGJCAKILHU-JTQLQIEISA-N 314.353 -0.046 30 20 DBED C=CCCCC(=O)N1CC(n2cc(CN[C@@H](C)C(N)=O)nn2)C1 1105317385 WBNVTSPEODDHRG-NSHDSACASA-N 320.397 -0.019 30 20 DBED N#Cc1nc(=NC[C@H](O)CNC(=O)COC2CCCC2)cc[nH]1 1105722293 LXKJXHHRFRDONH-NSHDSACASA-N 319.365 -0.382 30 20 DBED N#Cc1cncc(NC[C@H](O)CNC(=O)[C@H]2CCCOC2)n1 1105742378 QGQQLNMMWHFGFO-JQWIXIFHSA-N 305.338 -0.336 30 20 DBED Cn1cnc(C(=O)NC[C@@H](O)CNc2ccc(C#N)nn2)c1 1105792790 SHDNBZDXYRFQRI-JTQLQIEISA-N 301.310 -0.715 30 20 DBED N#Cc1nc(=NC[C@@H](O)CNC(=O)/C=C/c2ccc[nH]2)cc[nH]1 1105812164 BDFQQVJESFRXDJ-AAOUONPWSA-N 312.333 -0.299 30 20 DBED COCCOCCC(=O)NC[C@@H](O)CNc1ncccc1C#N 1105880550 DNXGPEAVLQTVQJ-CYBMUJFWSA-N 322.365 -0.105 30 20 DBED N#Cc1nccnc1NC[C@H](O)CNC(=O)c1cnnc(O)c1 1105993502 OAEPLTRYTOIKGW-VIFPVBQESA-N 315.293 -0.953 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)[C@@H]1CCCC(=O)N1C 1107883704 ABYOJOYLHUFRKC-MNOVXSKESA-N 316.365 -0.302 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)COC1CCOCC1 1107933382 IIQSTMLOBMCXSV-LLVKDONJSA-N 319.365 -0.118 30 20 DBED C#CCCN1CCO[C@](C)(CNC(=O)C[C@@H]2CCNC2=O)C1 1107995329 YZKXPAFCOXTXGX-XJKSGUPXSA-N 307.394 -0.257 30 20 DBED C[C@H](CNc1ccc(C#N)nn1)NC(=O)[C@]1(C)CCNC1=O 1108105352 BRCWQHSKJXVQBH-YMTOWFKASA-N 302.338 -0.209 30 20 DBED C[C@@]1(CNC(=O)C(N)=O)CN(CC#Cc2ccccc2)CCO1 1108176796 FVTLVPOEHZGGHU-QGZVFWFLSA-N 315.373 -0.270 30 20 DBED C=CCC[C@H](C)N1CC(N2C[C@H](NC(=O)C(N)=O)CC2=O)C1 1108567198 YIOZHMNQMVGTFI-WDEREUQCSA-N 308.382 -0.772 30 20 DBED C[C@@H](CNc1nccnc1C#N)NC(=O)[C@@]1(C)CNC(=O)C1 1108610856 PDHUQFSPTKHSFD-LKFCYVNXSA-N 302.338 -0.209 30 20 DBED C[C@@H](CN(C)c1ccnc(C#N)n1)NC(=O)c1cn(C)nn1 1108925057 JSELVLFAJHPCMI-VIFPVBQESA-N 300.326 -0.269 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H]1CCOC1 1109025811 ZGRFAWPJJNUIGA-MQYQWHSLSA-N 305.378 -0.506 30 20 DBED CN1CCOC[C@@H]1C(=O)NCC1(Nc2cncc(C#N)n2)CC1 1110110448 PKGDVYALSZAIEO-GFCCVEGCSA-N 316.365 -0.260 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1c[nH]c(=O)cn1 1110950230 BHUKGWXENWJRJE-BZPMIXESSA-N 316.361 -0.245 30 20 DBED COC[C@@H](C)C(=O)NC[C@]1(O)CCN(c2nccnc2C#N)C1 1111044119 SKDWBZHKNBHSPJ-IAQYHMDHSA-N 319.365 -0.312 30 20 DBED COC[C@H](C)C(=O)NC[C@]1(O)CCN(c2ccnc(C#N)n2)C1 1111044397 XFFSVHXLBGTBLF-XHDPSFHLSA-N 319.365 -0.312 30 20 DBED CC(C)[C@@H](O)C(=O)NC[C@]1(O)CCN(c2cnc(C#N)cn2)C1 1111075650 HDRHPIRYSKMJAS-UKRRQHHQSA-N 319.365 -0.577 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1COCCN1c1nccn2nnnc12 1111663312 SZMSLNROURAMEI-NXEZZACHSA-N 316.325 -1.000 30 20 DBED CN(CCCN(C)c1ccnc(C#N)n1)C(=O)[C@@H]1COC(=O)N1 1112074985 FFMBRSIBXFEYHO-JTQLQIEISA-N 318.337 -0.259 30 20 DBED C#CCNC(=O)CC(=O)N1CCN(Cc2ccn(CC)n2)CC1 1112778050 YMIFWPIKMSMWDG-UHFFFAOYSA-N 317.393 -0.313 30 20 DBED C[C@H](CC(=O)NC[C@@H](C)N(C)c1cncc(C#N)n1)NC(N)=O 1113720055 MPOAHVDAQWNIJP-NXEZZACHSA-N 319.369 -0.264 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3cnc(C)cn3)[C@H]2C1 1113801136 NQVRRRPXKQSSII-JYAVWHMHSA-N 313.361 -0.806 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3ccc(F)nc3)[C@H]2C1 1114050658 GULMMLOUTXFTCX-RYUDHWBXSA-N 316.336 -0.370 30 20 DBED C=CCOCCN1C[C@H]2C(NC(=O)[C@H]3COCCN3CC)[C@@H]2C1 1114496568 OWSJLAUUPGNHCJ-RBSFLKMASA-N 323.437 -0.044 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)[C@@]3(C)CCNC3=O)[C@H]2C1 1114826217 GFXCNOWOCNZXAR-VLXAULBPSA-N 305.378 -0.791 30 20 DBED N#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)C[C@@H]3CCCOC3)[C@H]2C1 1115247628 IMASUZPROPHALC-BCUIYNNISA-N 320.393 -0.511 30 20 DBED C[C@@H](CN1CCOCC1)NC(=O)C(=O)N1CC[C@](F)(C#N)C1 1117038585 ZZNMPXMWAYHRKZ-FZMZJTMJSA-N 312.345 -0.713 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)NCc1ccc(C(N)=O)cc1 1117544958 SMAZKFISZIHODU-GFCCVEGCSA-N 305.334 -0.281 30 20 DBED C[C@@H](CN(C)C(=O)[C@H]1CCNC1=O)Nc1ccc(C#N)nn1 1120407815 JTPRPSUTUNKIDT-ONGXEEELSA-N 302.338 -0.257 30 20 DBED Cc1ncncc1C(=O)NC[C@@H](CO)Nc1ccc(C#N)nn1 1121086009 IGCZHKXQSHGLIB-NSHDSACASA-N 313.321 -0.351 30 20 DBED CCCN(C)CCC(=O)NC[C@@H](CO)Nc1cnc(C#N)cn1 1121840365 RZQHVRMPADQYNR-ZDUSSCGKSA-N 320.397 -0.031 30 20 DBED C#CCNCC(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1 1121951896 XCWAMSLADTUDQM-LBPRGKRZSA-N 300.362 -0.297 30 20 DBED N#Cc1cncc(N[C@H](CO)CNC(=O)Cc2cnoc2)n1 1122390223 BPFFGKPLDQYNMO-NSHDSACASA-N 302.294 -0.532 30 20 DBED Cc1nsc(NC[C@@H](O)CN(C)C(=O)c2nc[nH]n2)c1C#N 1124459727 CLNIDPCPKYVJPO-MRVPVSSYSA-N 321.366 -0.014 30 20 DBED C#CCCN[C@@H]1CN(C(=O)c2ccncn2)C[C@@H]1n1ccnn1 1130045995 FXPOXHRNGWLYQL-KGLIPLIRSA-N 311.349 -0.253 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)[C@@H]1C[C@H]2C=C[C@H]1O2 1130470563 VHYZVXDPOGBPCW-IJLUTSLNSA-N 322.365 -0.953 30 20 DBED C=CCOCCN1C[C@@H](NC(=O)Cn2cnnn2)CC[C@H]1C 1131783958 LZDDNYHDCMPNSU-OLZOCXBDSA-N 308.386 -0.155 30 20 DBED C=CCOCC(=O)N1CC[C@@H](C)[C@H](CNCC(=O)NCC#N)C1 1132705496 NARNGVVFSLPWFH-ZIAGYGMSSA-N 322.409 -0.097 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)Cn2ncnn2)CC[C@H]1C 1132823656 JZOBJJLYYKINRV-ZIAGYGMSSA-N 320.397 -0.603 30 20 DBED C=C(C)CN(CC)C(=O)CNCCNC(=O)C1(C(N)=O)CC1 1133188103 QABBQJBVEDJMDG-UHFFFAOYSA-N 310.398 -0.618 30 20 DBED C[C@@H](C[C@H](C)NC(=O)CN1CCCC1=O)NCC(=O)NCC#N 1133633095 NKFIIQIFQBCFNM-RYUDHWBXSA-N 323.397 -0.879 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)c1ccnc(C)c1 1135559328 KJHJREZCPFRGBP-UHFFFAOYSA-N 319.365 -0.279 30 20 DBED CCN(C)CCC(=O)N[C@@H](C)C[C@H](C)NCC(=O)NCC#N 1135882279 JTGSZPFOQXTXOW-STQMWFEESA-N 311.430 -0.159 30 20 DBED C=CCNC(=O)CN1CCC2(C1)CN(C(=O)CNC(=O)CC)C2 1147225870 YKMZFURLJBCCFM-UHFFFAOYSA-N 322.409 -0.651 30 20 DBED C#CCO[C@H](C)C(=O)N1CC2(CCN(CC(=O)N3CCC3)C2)C1 1147531031 WDIJIJUSBMGFFC-CQSZACIVSA-N 319.405 -0.209 30 20 DBED C#Cc1ccc(C(=O)NCCNCC(=O)NCCOCC)cn1 1148383054 PQONRSDVFHEIOS-UHFFFAOYSA-N 318.377 -0.465 30 20 DBED COCC#CCN1CCC2(C1)CN(C(=O)C[C@@H]1CCC(=O)N1)C2 1148425041 XLJLPZUSQQUBRZ-AWEZNQCLSA-N 319.405 -0.161 30 20 DBED N#CCN1CCCO[C@@H](CNC(=O)CCn2ccccc2=O)C1 1149816897 IWNDUVFWMKHGEX-AWEZNQCLSA-N 318.377 -0.031 30 20 DBED CCCn1nc(C(=O)NCCNCC#CCOC)ccc1=O 1150678419 VBORRCPOLXGJGJ-UHFFFAOYSA-N 306.366 -0.378 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)c1cc(C)[nH]n1 1152129281 SUFQXZGMLALCTE-GFCCVEGCSA-N 305.382 -0.092 30 20 DBED COCC#CCNCCCNC(=O)[C@H](Cn1cccn1)N(C)C 1159875918 CTWLJTGTPBFCPR-HNNXBMFYSA-N 321.425 -0.441 30 20 DBED C=CCN1CC=C(CCNC(=O)Cn2cnc(C(N)=O)n2)CC1 1160169452 RTZXYDOZFUHPRE-UHFFFAOYSA-N 318.381 -0.299 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)c1cnnc(O)c1 1160503919 AWKPNLDMULBATB-JTQLQIEISA-N 305.338 -0.970 30 20 DBED C#CCN1CCC(CNC(=O)[C@H]2CCNC2=O)(COC)CC1 1162401712 UMMCSLFLXCCTJS-ZDUSSCGKSA-N 307.394 -0.400 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)c1cccc(OC)n1 1169958982 PRWMMNMMMFOJBQ-GFCCVEGCSA-N 318.377 -0.062 30 20 DBED C=CCCNCCCNC(=O)c1cn(CC(=O)N(C)C)nn1 1176972394 ZGHZNPHFQGEBDD-UHFFFAOYSA-N 308.386 -0.348 30 20 DBED CC#CCCCC(=O)N1CC[C@H]2OCCN(CC(N)=O)[C@@H]2C1 1177080137 JWHLMZQDDFNEQJ-ZIAGYGMSSA-N 307.394 -0.033 30 20 DBED C#CCNC(=O)CNCCCCCCNC(=O)[C@H](C)NC(C)=O 1177839745 NNXRNJKESWVLFO-ZDUSSCGKSA-N 324.425 -0.473 30 20 DBED N#CCNC[C@H]1C[C@H]2CC[C@H]1N(C(=O)C1CC(=O)NC(=O)C1)C2 1177906878 BKLMSMQLOMGOSL-RAIGVLPGSA-N 318.377 -0.221 30 20 DBED C#CCCN[C@H]1CCN(C(=O)CN(C)S(C)(=O)=O)[C@H]1C 1178821936 DQVRJCKXHALFAF-RYUDHWBXSA-N 301.412 -0.520 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](NCc2cc(C)on2)C1 1182134148 HBOUFNCHUJGEHL-GFCCVEGCSA-N 304.350 -0.187 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2[nH]nnc2C)C1 1184784187 CIGGPGISXNTQNC-GHMZBOCLSA-N 304.354 -0.945 30 20 DBED N#CCNC(=O)CN[C@@H]1CCN(C(=O)CCc2ccccn2)C1 1184799829 GPEQZCYELPMCFP-CQSZACIVSA-N 315.377 -0.156 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H](CC(C)C)OC)C1 1185478979 RMAIVQPECJYUHQ-ZIAGYGMSSA-N 309.410 -0.013 30 20 DBED CC#CCN[C@@H]1CCN(C(=O)CS(=O)(=O)N(CC)CC)C1 1186018752 IYRKCFISMUIQCV-CYBMUJFWSA-N 315.439 -0.128 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2cn(CC)cn2)C1 1187143668 VTFMOSKCFNJMML-QWHCGFSZSA-N 317.393 -0.155 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)CCN2CCCC2=O)C1 1187910076 ZBUJGHLYOAPNRP-CYBMUJFWSA-N 322.409 -0.508 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@@H]1CCN(C(=O)CNC(=O)CC)C1 1189428922 RKNBLBUJLCUVBE-QWHCGFSZSA-N 322.409 -0.817 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)CN(CC)CC)[C@@H]2C1 1189471682 XOIHRIJDFANWLQ-LSDHHAIUSA-N 320.437 -0.390 30 20 DBED CN(CC(=O)NCC#N)[C@H]1CCN(C(=O)CC[C@H]2CCOC2)C1 1189592688 BABKZUFGBSPDIT-KBPBESRZSA-N 322.409 -0.024 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2ccsc2)C1 1190904363 DWOMMBSLHPPOIO-VXGBXAGGSA-N 307.375 -0.728 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)c2ccoc2)C1 1191005899 XWJMUWGGZTYHHS-CYZMBNFOSA-N 307.350 -0.255 30 20 DBED COc1ccc(CN2C[C@@H](O)[C@H](NC(=O)[C@H](C)C#N)C2)nn1 1191854629 PCBKOERAXWMURW-YUSALJHKSA-N 305.338 -0.694 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)CO[C@H](C)CC)C1 1192280988 LVJOFTIZHDFWTF-JHJVBQTASA-N 313.398 -0.735 30 20 DBED C=CCN1CC[C@@H](NC2CCN(C(=O)CC(=O)NC)CC2)C1=O 1200237923 XSOKAGVLVOMUAP-CYBMUJFWSA-N 322.409 -0.510 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCC(NCCOCCO)CC1 1200334729 SNBHDSFIIBAEKO-HNNXBMFYSA-N 300.399 -0.097 30 20 DBED C#CCNC[C@@H]1CN(C(=O)[C@H]2CCCN(C(N)=O)C2)CCCO1 1200911251 LWZGYSGJROCVLX-UONOGXRCSA-N 322.409 -0.383 30 20 DBED COCC#CCN[C@H]1C[C@H](NC(=O)Cn2ncnn2)C12CCC2 1202930504 WBGNJRRANZYSSL-STQMWFEESA-N 318.381 -0.660 30 20 DBED N#CCN1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)CC(N)=O)C1 1205115757 KLRWOENVQXIXPX-ZIAGYGMSSA-N 316.361 -0.541 30 20 DBED COCC#CCNCC1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 1206086790 LWKBCQZEXRXGGP-ZDUSSCGKSA-N 308.382 -0.854 30 20 DBED CCCNC(=O)NC(=O)CN1C[C@@H](NC(=O)[C@H](C)C#N)[C@H](C)C1 1206641116 OXVLNLMJXWDZBL-IJLUTSLNSA-N 323.397 -0.182 30 20 DBED COC[C@@H](O)CN1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@H](C)C1 1206875587 QWKMDUMBZDKRCT-SCDSUCTJSA-N 306.366 -0.056 30 20 DBED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)c1cccn1C 1211855468 QVYIGBPBBDWWJL-DGCLKSJQSA-N 319.365 -0.906 30 20 DBED COCC#CCN1C[C@@H](NC(=O)c2cnc(C)n2C)[C@H](OC)C1 1213327704 PGNFOBQJRAQDSE-UKRRQHHQSA-N 320.393 -0.193 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@](C)(NC(C)=O)C1CC1 1213713031 LEEHWGUYSUPMBO-UMVBOHGHSA-N 308.382 -0.370 30 20 DBED CCC[C@H](C)C(=O)N1CCO[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1217578940 CIVFSZKMZPOHPE-MELADBBJSA-N 322.409 -0.026 30 20 DBED COC[C@H](O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)C#CC1CC1 1217834138 DQVWDUVYJBTKQD-QLFBSQMISA-N 308.378 -0.681 30 20 DBED CCCNC(=O)CCC(=O)N1CCO[C@@H]2CN(CC#N)C[C@@H]21 1218996158 SIBOYWBLJKPAJC-QWHCGFSZSA-N 308.382 -0.272 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2ncc(C)cn2)C[C@@H]1O 1219604847 AWXIFURPHJYSES-MJBXVCDLSA-N 318.377 -0.515 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(CCOC2CCC2)C[C@@H]1O 1219609523 VYKVZLHRRFOAMD-CABCVRRESA-N 310.394 -0.243 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)COc2c(C)nn(C)c2C)C1 1219638520 WONFNMXOKLGTET-KGLIPLIRSA-N 320.393 -0.400 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1CN(CC(=O)N2CCCC2)C[C@@H]1O 1220141193 KHKBNXJQEUJPBZ-OLZOCXBDSA-N 309.410 -0.018 30 20 DBED C#CCCCCCC(=O)N[C@@H]1CN(CC(=O)N(C)C)C[C@@H]1O 1220146756 PQZQMKCOMNDNGB-KGLIPLIRSA-N 309.410 -0.180 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC[C@@H]2CN(C(=O)c3cnon3)[C@@H]2C1 1221883284 XOGILHIIQXYQHC-NQBHXWOUSA-N 319.365 -0.093 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)[C@H]2CCC(=O)N2)CC1 1226541757 CIJAFKDYOXMXSO-GFCCVEGCSA-N 308.382 -0.852 30 20 DBED Cc1c[nH]nc1C(=O)NC1CCN(CC(=O)NCC#N)CC1 1227271939 CQHABCTVVRYATP-UHFFFAOYSA-N 304.354 -0.448 30 20 DBED C=CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)Cn1cccn1 1230759083 NXBGHJAGGZDFSX-CYBMUJFWSA-N 305.382 -0.282 30 20 DBED C=CCNC(=O)CN1CC[C@H]1CN(C)C(=O)[C@@H]1COCCO1 1230823250 GMCJAHXOONYASG-STQMWFEESA-N 311.382 -0.763 30 20 DBED C=C(C)COCCNC(=O)C(=O)N[C@H]1CCCS(=O)(=O)C1 1261161102 PEAYHPDDYXPGSD-NSHDSACASA-N 318.395 -0.611 30 20 DBED C[C@H](CO)[C@H]1CCCCN1C(=O)C(=O)N1CCO[C@H](C#N)C1 1261625263 NNKZJGXWVISZGF-JHJVBQTASA-N 309.366 -0.253 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)C2(C(=O)NC)CCC2)C1 1265456470 UOULMCBPAJKCTP-LBPRGKRZSA-N 322.409 -0.605 30 20 DBED CS(=O)(=O)N1CCC(NC2CCN(CC#N)CC2)CC1 1319905083 XZCNENDCZLUQBF-UHFFFAOYSA-N 300.428 -0.012 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CC[S@](=O)[C@@H](C)[C@@H]1C 1323589015 XEUODQBTFJJSRM-KALHSFGWSA-N 302.396 -0.329 30 20 DBED Cc1noc(CCCNC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)n1 1326083341 HDJVHEXPCIGGPH-AWEZNQCLSA-N 321.337 -0.696 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N1CCC[C@@H](C(=O)NC)C1 1327176250 KIEVSQLTACVENN-GFCCVEGCSA-N 311.382 -0.368 30 20 DBED C=CCCCNC(=O)C(=O)N[C@H]1CCN(S(C)(=O)=O)C1 1327524321 DQNKSWOSRVUQIQ-JTQLQIEISA-N 303.384 -0.781 30 20 DBED CCOCCN1CCN(C(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)CC1 1329218269 KKCCXTNBRKKRIY-UONOGXRCSA-N 322.409 -0.024 30 20 DBED CNC(=O)[C@H]1CN(C(=O)C(=O)N2CCC[C@H](CC#N)C2)CCO1 1330418419 MEVWHYLHNKPJOD-VXGBXAGGSA-N 322.365 -0.888 30 20 DBED C#CCOCCn1nnnc1N1CCN(CCO)C(C)(C)C1 1334391882 BMWOCBSCRRTGQO-UHFFFAOYSA-N 308.386 -0.784 30 20 DBED COC(=O)C1(C#N)CCN(S(=O)(=O)[C@@H]2CCOC2)CC1 1363883689 UWVUELFQQLYFBJ-SNVBAGLBSA-N 302.352 -0.116 30 20 DBED COC(=O)c1cc(C#N)c(=O)n(CC(=O)N=S(C)(C)=O)c1 1365253726 UEZYMKBENMYSGJ-UHFFFAOYSA-N 311.319 -0.239 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@@H]1CCN(C(=O)CCc2nc[nH]n2)C1 1372072275 ZJOQTACYKDRYHS-GHMZBOCLSA-N 304.354 -0.044 30 20 DBED CCO[C@@H](C)C(=O)NCCN1CCN(C(=O)[C@H](C)C#N)CC1 1372207472 JOSQATUNWPKRGM-OLZOCXBDSA-N 310.398 -0.169 30 20 DBED CN(CCNC(=O)C[C@@H]1CCC(=O)N1)c1ccnc(C#N)n1 1374793719 UYTJEUNVPPVMDC-JTQLQIEISA-N 302.338 -0.431 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(CCNC(=O)[C@H]2CCCCO2)CC1 1385524917 IJXYXFLKTQCRDY-UONOGXRCSA-N 322.409 -0.024 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCN(C)C(=O)C[C@H]1CCN(C)C1=O 1389007105 LRTURYQYTYUHGZ-NWDGAFQWSA-N 308.382 -0.069 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)CN(C)C(=O)C2CC2)CC1 1393818861 PPFLJSCXPHUNIW-JTQLQIEISA-N 306.366 -0.221 30 20 DBED C[C@H](CN(C)C(=O)c1cc(C#N)c[nH]1)NC(=O)c1ncn(C)n1 1395553472 LLQHVIKYHVSQCJ-SECBINFHSA-N 315.337 -0.095 30 20 DBED CC(=O)N(C)CC(=O)N[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 1396898613 VWPQUZCGPFFWHZ-GFCCVEGCSA-N 317.349 -0.305 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNCc1nnc2n1CCCCC2 1401494477 KGLORAKNMSEEHZ-VXGBXAGGSA-N 320.397 -0.269 30 20 DBED COc1cc(C#N)ccc1NC(=O)Cn1cnc(C(N)=O)n1 1412034543 JMDRSPKTFLATCM-UHFFFAOYSA-N 300.278 -0.104 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(NC(=O)[C@@H](C)S(C)(=O)=O)CC1 1429681571 FYHXVNBIOKADLV-VHSXEESVSA-N 315.395 -0.314 30 20 DBED C=C(Cl)CNC[C@@H](NC(=O)Cn1ncn(C)c1=O)C1CC1 1439469642 NMXOBVJSOKCCMF-LLVKDONJSA-N 313.789 -0.181 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H](C)CNC(=O)CCNS(C)(=O)=O 1449988996 XIEWTPDMLWWMDN-VHSXEESVSA-N 318.399 -0.952 30 20 DBED CCCC[C@@H](CNC(=O)[C@H](C)C#N)NC(=O)CNC(=O)NC 1450251521 HPAQJMYUZPRTSB-MNOVXSKESA-N 311.386 -0.134 30 20 DBED C[C@H](C#N)C(=O)NC[C@@]1(C)CCN(C(=O)c2c[nH]c(=O)cn2)C1 1453978714 VIQGTOKDGLXQQQ-MEBBXXQBSA-N 317.349 -0.102 30 20 DBED CCN(CCNC(=O)[C@H](C)C#N)C(=O)CCS(C)(=O)=O 1455659972 RYTJFLNFZIPEKB-SNVBAGLBSA-N 303.384 -0.455 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C)C[C@@H](O)COC1CCOCC1 1492216519 CUOMPVNYFLEYDU-QWHCGFSZSA-N 313.398 -0.249 30 20 DBED C[C@H](C(=O)N(C)c1cc(-c2nn[nH]n2)ccn1)n1cnc(C#N)n1 1570922947 QDSSOUGYOVMYOO-MRVPVSSYSA-N 324.308 -0.051 30 20 DBED N#Cc1nc(N2CCC[C@H](n3ccnn3)C2)cnc1-c1nn[nH]n1 1570932665 VXRNMGYIVMZHGJ-VIFPVBQESA-N 323.324 -0.039 30 20 DBED CCS(=O)(=O)CCNc1cnc(-c2nn[nH]n2)c(C#N)n1 1578414694 QZJBHEAAZMADGY-UHFFFAOYSA-N 308.327 -0.625 30 20 DBED COCC1(CNc2[nH]c(=O)n(C)c(=O)c2C#N)CCNCC1 1578985357 ZSMSHBSCDCQALQ-UHFFFAOYSA-N 307.354 -0.627 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)C2(n3cccn3)CCNCC2)C1 1580046960 ABZBJXCJASGCST-CQSZACIVSA-N 303.366 -0.161 30 20 DBED N#C[C@@]12CN(C(=O)[C@]34C[C@H](N)C[C@H]3C4)C[C@H]1CS(=O)(=O)C2 1580056451 RQKZOCACCFBCHW-CVNCSBKSSA-N 309.391 -0.489 30 20 DBED N#CCc1ccccc1C(=O)NCCn1cnc(-c2nn[nH]n2)n1 1581859420 HBAVMWAWNOFIKQ-UHFFFAOYSA-N 323.320 -0.046 30 20 DBED N#Cc1ncn(CCNC(=O)c2ccsc2-c2nn[nH]n2)n1 1581885600 GVSYFJZEUARINJ-UHFFFAOYSA-N 315.322 -0.179 30 20 DBED CC(=NN[C@H]1CCCS(=O)(=O)C1)c1cn(CC(=O)O)nn1 1588486188 SYABSXIGEFYMEN-VIFPVBQESA-N 315.355 -0.747 30 20 DBED C#CCSCC(=O)NC1(C(=O)O)CCS(=O)(=O)CC1 1588505975 CHEJNLUZQTWDBW-UHFFFAOYSA-N 305.377 -0.499 30 20 DBED N#Cc1nc(NC(=O)C[C@H]2CCC(=O)NC2)[nH]c1-c1nn[nH]n1 1592683704 XBOWNAQXVVIVDY-ZCFIWIBFSA-N 315.297 -0.684 30 20 DBED CCN(C[C@H](C)C#N)C(=O)COC(=O)Cn1cc(C(=O)O)nn1 1596231899 WFWXBEVEJCJXSY-SECBINFHSA-N 323.309 -0.472 30 20 DBED Cc1c(C#N)cccc1NC(=O)C(=O)NC[C@H](O)CC(=O)O 1599975274 XVQRPYZZKSCVRN-SNVBAGLBSA-N 305.290 -0.243 30 20 DBED N#CC1(C(=O)O)CCN(C(=O)N2CCS(=O)(=O)CC2)CC1 1601051150 DFGZQJLWRQWZPE-UHFFFAOYSA-N 315.351 -0.473 30 20 DBED C#CCSCCn1nnnc1N1CC[C@](OC)(C(=O)O)C1 1602738008 DYVCAMLINRCEJK-GFCCVEGCSA-N 311.367 -0.281 30 20 DBED CN(CCC#N)C[C@H](O)CNC[C@@H]1COC2(CCOCC2)O1 1645857979 WKYTYCHSDZOWHZ-ZIAGYGMSSA-N 313.398 -0.296 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1C[C@@H](NC(=O)C2CC(OC)C2)C1 1752739709 OLJJFNPORORCHZ-HUEPFSFMSA-N 307.394 -0.214 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@@H](NC(=O)CCc2ccon2)C1 1752742949 BHBKVEONIDIRHZ-BETUJISGSA-N 304.350 -0.407 30 20 DBED C#CCNC[C@@H]1CCCN(C(=O)[C@@H](C)N2C(=O)CCC2=O)C1 1752798483 AVJQADMKVWJTPE-OLZOCXBDSA-N 305.378 -0.015 30 20 DBED C#CCNC(=O)CN1CCC[C@H]([C@H](C)NC(=O)CNC(C)=O)C1 1752833342 FBHDYMWMNPCENR-JSGCOSHPSA-N 322.409 -0.911 30 20 DBED C#CCNC(=O)CN[C@H](C)CCNC(=O)c1cc(OC)ncn1 1753006502 ITLKJEIMAPEQFF-LLVKDONJSA-N 319.365 -0.667 30 20 DBED N#CCNC(=O)CN1CC(CNC(=O)c2cc(C3CC3)[nH]n2)C1 1753410023 PZQLRYHGXZODGI-UHFFFAOYSA-N 316.365 -0.412 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1ncc[nH]1 1753420253 QFYNJKJUYSBFFA-WOPDTQHZSA-N 303.366 -0.001 30 20 DBED C=CCNC(=O)CN[C@H](CC)CNC(=O)[C@@H]1CCNC(=O)CC1 1753483343 OHOHYQJQCPJZFH-QWHCGFSZSA-N 324.425 -0.311 30 20 DBED CCN(CCNCC#CCOC)C(=O)c1ccc(C(N)=O)nc1 1754086065 VNPFGCAFAHBZOP-UHFFFAOYSA-N 318.377 -0.118 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@H]1CNC(=O)CCc1ccon1 1754489006 OKFXENSWFSILIK-JSGCOSHPSA-N 318.377 -0.064 30 20 DBED C#Cc1cncc(C(=O)NCC2(NCCOCCO)CC2)c1 1754524748 PHENZOBTDJBVAS-UHFFFAOYSA-N 303.362 -0.076 30 20 DBED N#CCNC(=O)CN1CC[C@@]2(CCN(C(=O)c3cnon3)C2)C1 1754567069 GWQXRQDRVCMRCT-CQSZACIVSA-N 318.337 -0.753 30 20 DBED CC1(C)C[C@H]1C(=O)NC[C@]1(O)CCN(CC(=O)NCC#N)C1 1754748426 INIMFWVBRKRURV-XHDPSFHLSA-N 308.382 -0.775 30 20 DBED COCC#CCN1C[C@H]2CN(C(=O)c3c[nH]c(=O)cn3)C[C@H]2C1 1754843406 CVFCIZPXPJQOSX-BETUJISGSA-N 316.361 -0.577 30 20 DBED C#CCCCC(=O)N1CCO[C@H](CNCc2nnnn2C)C1 1754999336 GOTOEJYCCYTYBQ-GFCCVEGCSA-N 306.370 -0.669 30 20 DBED C#CCCNC[C@H]1CN(C(=O)Cn2nnnc2C(C)C)CCO1 1755012961 NNVVBCQIZIFMHW-ZDUSSCGKSA-N 320.397 -0.363 30 20 DBED C#CCN1CCN(CCCCCNC(=O)Cn2cncn2)CC1 1755175168 ITLDKWLXMCDLEX-UHFFFAOYSA-N 318.425 -0.185 30 20 DBED C=C(C)CN[C@H](C)[C@H](C)NC(=O)CCn1cc[nH]c(=O)c1=O 1755260196 NCTYNJUFIOHJDW-NEPJUHHUSA-N 308.382 -0.014 30 20 DBED CN(CCOCCNC(=O)C#CC1CC1)Cc1nnn(C)n1 1755543599 CUWITTNJBHOROL-UHFFFAOYSA-N 306.370 -0.812 30 20 DBED Cc1ccc(C(=O)NC[C@H](CO)NCC(=O)NCC#N)nc1C 1755632731 JAGJNERCXAAEBJ-GFCCVEGCSA-N 319.365 -0.981 30 20 DBED CCS(=O)(=O)N[C@@H](C)C(=O)N1C[C@H](NCC#N)C(C)(C)C1 1755758673 CCFJMEAKPBHJOQ-QWRGUYRKSA-N 316.427 -0.336 30 20 DBED C=CCC(C)(C)C(=O)NC[C@H](CO)NC(=O)Cn1cncn1 1756523603 WZURRYDTBNWZEW-LLVKDONJSA-N 309.370 -0.526 30 20 DBED CC[C@@H]1[C@@H](NC(=O)c2nnn(C)n2)CCN1C(=O)C#CC(C)C 1757455249 YWQJAWKKDARVRD-NWDGAFQWSA-N 318.381 -0.021 30 20 DBED CC(=NNCCS(N)(=O)=O)c1cc(C(=O)O)c(C)nc1C 1776046972 QBGJHLLXUZNNEE-UHFFFAOYSA-N 314.367 -0.001 30 20 DBED CNCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC#N)C[C@@H]21 1786852822 NLYPTHVGUWAIGQ-IHRRRGAJSA-N 322.409 -0.121 30 20 DBED C=CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CC(O)C1 1792895179 YYNCQDPOONKZCD-VAVWAEKOSA-N 308.378 -0.077 30 20 DBED C[C@@H](S)C(=O)N1CC2(CCCN2C(=O)c2cnnn2C)C1 1842135033 RGTXSRNOGFSGTH-SECBINFHSA-N 309.395 -0.050 30 20 DBED C#CCNC(=O)CN1CCCC[C@H]1CCNS(C)(=O)=O 48580585 ZAIPDUCPMZLLKP-LBPRGKRZSA-N 301.412 -0.470 30 20 DBED C[C@@H](CN1CCCC1=O)Nc1c(C#N)c(=O)n(C)c(=O)n1C 52488541 HQBOKBILFRNUTH-VIFPVBQESA-N 305.338 -0.622 30 20 DBED C#CCNC(=O)CN1CCN([C@H](C(N)=O)c2ccccc2)CC1 73893596 AVCAWNXPXIKWMO-INIZCTEOSA-N 314.389 -0.420 30 20 DBED CC/N=C(/NCCOC)N1CCN(C(=O)[C@@H]2CCCO2)CC1 114086426 VONFWHZPOBBCJD-ZDUSSCGKSA-N 312.414 -0.079 30 20 DBED CCc1nc2n(n1)C[C@@H](NS(=O)(=O)N(C)CCC#N)CC2 114874264 JTAMPCUSEZKPBV-JTQLQIEISA-N 312.399 -0.165 30 20 DBED N#Cc1ccc([C@@H](O)CN2CCN3C(=O)C(=O)NC[C@@H]3C2)cc1 152774450 FLDLRSUOASIIPT-KGLIPLIRSA-N 314.345 -0.766 30 20 DBED C=CCNC(=O)NC(=O)CN1CCN(C2CCOCC2)CC1 175492642 DNOMRQMICNBDLG-UHFFFAOYSA-N 310.398 -0.205 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCC2(C)CCOCC2)C1=O 267791209 MCIYCMUAROZVJG-UHFFFAOYSA-N 323.349 -0.104 30 20 DBED NC(=O)[C@H]1CC[C@H](CNC(=O)C#Cc2ccc3c(c2)OCO3)O1 268555358 XDUHKBBNSPCVHI-DGCLKSJQSA-N 316.313 -0.084 30 20 DBED CCC1(CO)CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC1 270822861 YWAGOEUDODJYJJ-UHFFFAOYSA-N 306.366 -0.055 30 20 DBED Cn1c(NCC23CCCN2CCC3)c(C#N)c(=O)n(C)c1=O 281050497 XBZHIQXVZGWDBT-UHFFFAOYSA-N 303.366 -0.004 30 20 DBED C=C[C@H](CO)NC(=O)[C@H](C)NC1=NS(=O)(=O)c2ccccc21 290604102 NITWOFLKHGVVFY-VHSXEESVSA-N 323.374 -0.223 30 20 DBED CS(=O)(=O)N[C@@H]1CCN(/C(O)=N/CC[C@H]2CCOC2)C1 329672322 UMULWONKRDGPDO-WDEREUQCSA-N 305.400 -0.050 30 20 DBED Cn1nnc(C/N=C(/O)N2CCN(CC(F)(F)F)CC2)n1 330308836 MMJPLDHWIQKXNO-UHFFFAOYSA-N 307.280 -0.196 30 20 DBED O=S(=O)(CCN/C(O)=N/CCCO)N1CCSCC1 330391261 ZYOZJRROIGFHSL-UHFFFAOYSA-N 311.429 -0.749 30 20 DBED CC[C@H]1CN(S(=O)(=O)N(CCC#N)CCOC)C[C@@H]1O 336941737 JVQPQCJKTRTZDC-RYUDHWBXSA-N 305.400 -0.204 30 20 DBED CCN1C[C@H](C)N(S(=O)(=O)N2CCO[C@H](C#N)C2)C[C@H]1C 336949498 RSTLRZMFVCKFKU-FRRDWIJNSA-N 316.427 -0.130 30 20 DBED CSC[C@@](C)(C#N)NC(=O)CN1CCS(=O)(=O)CC1 345082413 BABIIDZYERVDFR-LLVKDONJSA-N 305.425 -0.522 30 20 DBED C=C(C)COCCNC(=O)C(=O)Nc1ccn(CCOC)n1 355483738 GWQUXRAKJDWHCX-UHFFFAOYSA-N 310.354 0.177 30 20 DBED CC(C)n1cc(C#N)c(NC(=O)C(=O)NCC2(O)CCC2)n1 359136375 BVHYOKVLMVMEBK-UHFFFAOYSA-N 305.338 0.305 30 20 DBED CC[C@@](COC)(NS(=O)(=O)N(C)C[C@H](C)C#N)C(=O)OC 416515138 KVHPTAGVVWLMAK-PWSUYJOCSA-N 321.399 -0.120 30 20 DBED C=CCn1cc(CNC(=O)NCCN2CCCOCC2)nn1 425533603 AHKGYXDIHJKEHW-UHFFFAOYSA-N 308.386 -0.014 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)Cc2ccc(O)cc2)CC1 491708819 IGCDMHZCZNWILQ-UHFFFAOYSA-N 315.373 -0.172 30 20 DBED COC(=O)[C@H]1CN(C(=O)C(=O)Nc2cccc(C#N)n2)CCO1 517028031 DGCDJMBNGSCQIY-SNVBAGLBSA-N 318.289 -0.708 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@H](CC(=O)O)C(=O)O 566682236 OXWYPEQYFNEMPK-BDAKNGLRSA-N 321.355 -0.522 30 20 DBED C=CCN(C(=O)c1nc(N)nc(N2CCOCC2)n1)C1CC1 567904155 PMQRFVQRZQOGJQ-UHFFFAOYSA-N 304.354 0.081 30 20 DBED CS(=O)(=O)N1CC[C@@H](N[C@H](C(N)=O)c2ccc(C#N)cc2)C1 567998124 BSHHARNZSNLIPH-OLZOCXBDSA-N 322.390 -0.292 30 20 DBED COCCN(CC#N)C(=O)c1cc(S(N)(=O)=O)cnc1C 568226783 JWBHRCQYOFDOBL-UHFFFAOYSA-N 312.351 -0.350 30 20 DBED N#CC1(CNS(=O)(=O)c2cccc(S(N)(=O)=O)c2)CC1 568465761 LBNGUODLGLDTNF-UHFFFAOYSA-N 315.376 -0.084 30 20 DBED COC(=O)c1cn(CCNC(=O)N2CC[C@](F)(C#N)C2)nn1 585746693 QDOCLBODMPNQFA-LBPRGKRZSA-N 310.289 -0.288 30 20 DBED Cn1c(=O)oc2cc(NC(=O)NCC(=O)NCC#N)ccc21 588243259 ROKXSONVSDXIJW-UHFFFAOYSA-N 303.278 -0.107 30 20 DBED COC(=O)[C@@H]1C[C@H](O)CN([C@H](C)C(=O)NC2(C#N)CCC2)C1 592209210 WFPASEKTYTVXQF-UTUOFQBUSA-N 309.366 -0.207 30 20 DBED C[C@H]1CN(CCNc2c(C#N)c(=O)n(C)c(=O)n2C)[C@H](C)CO1 596431737 QEOMVGBKEDECOO-MNOVXSKESA-N 321.381 -0.523 30 20 DBED CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)COc1ccc(C#N)cc1 598030252 SXOQRZAHNKXCCM-STQMWFEESA-N 324.358 -0.135 30 20 DBED C=C[C@@H](C(=O)OC)N(CC)CC(=O)N[C@@H]1CCS(=O)(=O)C1 619716686 VYXZBJZYWFNJLG-MNOVXSKESA-N 318.395 -0.661 30 20 DBED C=CCc1ccc(OCC(=O)NC[C@H](O)C(N)=O)c(OC)c1 647626188 KLQSLOACUJYWBU-NSHDSACASA-N 308.334 -0.235 30 20 DBED N#C[C@@H]1CN(C(=O)CS[C@@H]2CCS(=O)(=O)C2)CCO1 701338397 YWHCBLWMDJPSLM-NXEZZACHSA-N 304.393 -0.342 30 20 DBED Nc1nc(NCCN/C(O)=C2\N=CC=CC2=O)ncc1[N+](=O)[O-] 731903301 IOYAALPTCOXVBI-PKNBQFBNSA-N 319.281 -0.095 30 20 DBED CNC(=O)CNC(=S)NN=Cc1cnc(N2CCCC2)nc1 731927613 KUNIZTWIUFIBDK-UHFFFAOYSA-N 321.410 -0.379 30 20 DBED CS(=O)(=O)c1ccc(C=NNC(=S)NCC(N)=O)cc1 731928181 JLFYSPPKHCQMGA-UHFFFAOYSA-N 314.392 -0.627 30 20 DBED CN(C1CCOCC1)S(=O)(=O)N1CCN(CC#N)CC1 739953867 IJRGTKBDXHGBKO-UHFFFAOYSA-N 302.400 -0.517 30 20 DBED C=CCN(CC=C)C(=O)[C@H](C)OC(=O)c1cn(CC(N)=O)nn1 745469201 TWGJPYYJWGYACX-JTQLQIEISA-N 321.337 -0.491 30 20 DBED CCN(CCC#N)C(=O)COC(=O)[C@H](C)CS(C)(=O)=O 747075469 LJUXZOPKXBKZSH-SNVBAGLBSA-N 304.368 -0.028 30 20 DBED C=C(CN(C)C)C(=O)NCCS(=O)(=O)N1CCSCC1 764506637 ZBJHNULAGCNUEP-UHFFFAOYSA-N 321.468 -0.401 30 20 DBED CCOC(=O)[C@@H](CO)NC(=O)C#Cc1ccc2c(c1)OCO2 782771520 ZQKZOFQIPNWVPQ-LLVKDONJSA-N 305.286 -0.193 30 20 DBED C#CCOCCNC(=O)N1CCC[C@H](NS(C)(=O)=O)C1 784544767 KTRCFQZSURAKII-NSHDSACASA-N 303.384 -0.641 30 20 DBED C=CCN1CC[C@@H](OC(=O)CN2CCN(CC)C(=O)C2=O)C1=O 798595543 NWFRSVZNYUZFNE-LLVKDONJSA-N 323.349 -0.993 30 20 DBED C=CCOCCNC(=O)C(=O)N=c1ccnc2n(C)[nH]cc1-2 806966437 GYKFBIQVJTWFSJ-UHFFFAOYSA-N 303.322 -0.401 30 20 DBED C#C[C@@H](NC(=O)C(=O)NCC1(OC)CCOCC1)[C@H]1CCCO1 807060931 IGAPLQNNBMMUJE-CHWSQXEVSA-N 324.377 -0.405 30 20 DBED C#CCNC(=O)COC(=O)c1c(Br)nnn1C 811451702 IONYHUMHLFIDKL-UHFFFAOYSA-N 301.100 -0.516 30 20 DBED N#CCN(CC(=O)O)C(=O)CCOc1ccc(C(N)=O)cc1 833065842 IUHYLRCLHBUEAB-UHFFFAOYSA-N 305.290 -0.009 30 20 DBED Cc1oc(C)c(S(N)(=O)=O)c1C(=O)N[C@@H]1CNC[C@H]1C#N 843458894 AXQDEGRKXVMIFN-RKDXNWHRSA-N 312.351 -0.615 30 20 DBED C=CCN(CC=C)C(=O)COC(=O)[C@@H]1CCS(=O)(=O)N1 845368032 LLWZRLBVMLMNED-JTQLQIEISA-N 302.352 -0.578 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N(C)CCc1cnccn1 850711066 AAWYAWUJLLJCFC-UHFFFAOYSA-N 318.377 -0.024 30 20 DBED C#CC[C@H](COC)NC(=O)CNS(=O)(=O)CCCOC 863803871 WMMUMDROEWSOQP-LLVKDONJSA-N 306.384 -0.903 30 20 DBED C#CCN1CCN(C(=O)CN2CC[C@@H](C(=O)OCC)C2)CC1 932646411 ZBEAZXAUGRZNPU-CQSZACIVSA-N 307.394 -0.351 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)Cn3ncnn3)C2)cc1 938003373 AHIGIVXUKMJQPZ-AWEZNQCLSA-N 324.344 -0.315 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)CC(N)=O)C2)cn1 938375760 UJTCTHSTMDGYCM-LBPRGKRZSA-N 300.318 -0.731 30 20 DBED C=CCN[C@@H]1CN(C(=O)Cn2ncn3nccc3c2=O)C[C@H]1C 939240568 JEOMVUGGTCORIB-VXGBXAGGSA-N 316.365 -0.487 30 20 DBED C=C[C@](C)(CC)C(=O)N1CC[C@@H](NC(=O)Cn2cnnn2)C1 939328665 CFQMWQOCAXLLDD-BXUZGUMPSA-N 306.370 -0.008 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CCN(C(=O)[C@@H]3COCCO3)C2)c[nH]1 940095293 OXYUKIIESYGWBE-YPMHNXCESA-N 318.333 -0.368 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC3(CCN(C(=O)C(N)=O)CC3)C2)c1 945030382 RRSDZAORLUMVNL-UHFFFAOYSA-N 315.333 -0.564 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(NC(=O)[C@H]2CCC(=O)NC2)CC1 948110213 UGYRLASOCVADRE-QWRGUYRKSA-N 306.366 -0.221 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CNC(=O)[C@H]2CC(=O)N(C)C2)CC1 949390450 FYQNSZRJVHSSEV-YPMHNXCESA-N 320.393 -0.021 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(CC)C1CN([C@@H](CC)C(N)=O)C1 950533442 FSHYZVTVSYLJHF-GJZGRUSLSA-N 320.437 -0.119 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](NC(=O)c2cc(=O)n(C)cn2)[C@H](C)C1 958382128 HGOQQYLRFPJSFM-CKYFFXLPSA-N 317.349 -0.483 30 20 DBED C#CCCN1C[C@@H](O)[C@H](CNC(=O)c2cc3ncccn3n2)C1 958493055 CSLCHYXSGLLHJI-TZMCWYRMSA-N 313.361 -0.225 30 20 DBED C#CCCN1C[C@H](CNC(=O)c2cncc(C(N)=O)c2)[C@@H](O)C1 958694999 LAZZPHWHDZYOPW-KBPBESRZSA-N 316.361 -0.774 30 20 DBED C#Cc1cncc(C(=O)NC2[C@H]3CN(Cc4nnnn4C)C[C@H]23)c1 961724570 VFCOVAOGPQWKEB-STQMWFEESA-N 323.360 -0.553 30 20 DBED N#CCN1C[C@H]2C(NC(=O)[C@@H]3CCc4nnnn4CC3)[C@@H]2C1 961847566 PWWALKMFGKAWJA-GMTAPVOTSA-N 301.354 -0.804 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2[C@@H]3CN(CC(=O)N4CCC4)C[C@@H]32)nc1 962327828 ZXNZYMDTNKSXKZ-HALDLXJZSA-N 324.384 -0.045 30 20 DBED C[C@H](C#N)C(=O)N1CC2(C[C@@H](NC(=O)c3n[nH]cc3F)CO2)C1 965801255 MRMUFDDGRQWLTN-RKDXNWHRSA-N 321.312 -0.192 30 20 DBED C=CCn1cccc1C(=O)N[C@@H]1CN(C(=O)COC)C[C@@H]1O 967137918 JVHJOJBCQLJSMK-YPMHNXCESA-N 307.350 -0.378 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C2CN(C(=O)c3cc[nH]n3)C2)CC1 967244260 LZQDBPMPDKGTOD-NSHDSACASA-N 316.365 -0.462 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)C(N)=O 969796770 DNCVOEDEZLLDAO-XQHKEYJVSA-N 321.377 -0.345 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)C[C@H]3CCC(=O)N3)C2)C1 972593542 NDUVWJFZYIAYJR-CZUORRHYSA-N 305.378 -0.408 30 20 DBED C=CCN1C[C@H]2C(CNC(=O)c3nc(O)nc(O)c3OC)[C@@H]2C1 978944843 YSBWSKHMJACXQY-UWVGGRQHSA-N 320.349 -0.010 30 20 DBED COCCn1cc(C(=O)NCC2[C@@H]3CN(CC#N)C[C@@H]23)cn1 979044644 MBQWCWUCEDECKT-KBPBESRZSA-N 303.366 -0.039 30 20 DBED C#CCCN1C[C@@H]2CC[C@@H](NC(=O)Cn3cnnn3)C[C@H]2C1 979521493 SLTMJEAFSYHROJ-MELADBBJSA-N 302.382 -0.087 30 20 DBED Cn1nnc(CN2CCCN(C(=O)c3c[nH]c(C#N)c3)CC2)n1 981001526 NOTUXRCXBFNGBW-UHFFFAOYSA-N 314.353 -0.242 30 20 DBED C#CCN1CCCC2(C1)CN(C(=O)C[C@H]1CC(=O)NC1=O)C2 982176887 UXDUPDJONHSMEN-GFCCVEGCSA-N 303.362 -0.403 30 20 DBED CN(C(=O)Cn1ncnn1)[C@@H]1CCCN(C(=O)C#CC2CC2)C1 984189297 QBQXYJKMRRLLFH-CYBMUJFWSA-N 316.365 -0.464 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CCCCCN(C(=O)C(N)=O)C2)[nH]1 987141350 USVBGPSBBLBMOZ-LLVKDONJSA-N 317.349 -0.127 30 20 DBED C#CCN[C@@H]1CCN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)[C@@H]1C 987188423 IRMPFEQJHGOYRN-ZYHUDNBSSA-N 314.349 -0.717 30 20 DBED C#CCNC1CCN(C(=O)CN2C(=O)NC(=O)C2(C)C)CC1 997154063 WDDRCTOAPAYFMI-UHFFFAOYSA-N 306.366 -0.469 30 20 DBED N#Cc1cc(C(=O)N2CC(NC(=O)[C@@H]3CC[C@H]3C(N)=O)C2)c[nH]1 997403759 GKKNFIKPVGKMFX-VXGBXAGGSA-N 315.333 -0.662 30 20 DBED C[C@H](C#N)C(=O)N1CC(NC(=O)c2cn([C@@H]3CCOC3)nn2)C1 999711055 IUGMBBACURCGJF-MWLCHTKSSA-N 318.337 -0.660 30 20 DBED C#Cc1ccc(C(=O)N2CC(NC(=O)[C@H]3C[C@H]3C(N)=O)C2)cn1 999917194 LDIRCGYMGMMYRI-OLZOCXBDSA-N 312.329 -0.875 30 20 DBED C#CCN1CC[C@@H](n2cc(CNC(=O)c3[nH]nnc3C)nn2)C1 1000013003 GJFFPIYUNBAJTL-GFCCVEGCSA-N 314.353 -0.485 30 20 DBED C=CCn1cc(C(=O)NCC2CN(C(=O)c3ccon3)C2)nn1 1001961592 UUWAPPPVADWBGZ-UHFFFAOYSA-N 316.321 -0.046 30 20 DBED COCC(=O)N1CCO[C@@H]([C@H](C)NC(=O)c2c[nH]c(C#N)c2)C1 1009606311 GHAITBCOHRXFJT-GXFFZTMASA-N 320.349 -0.122 30 20 DBED C[C@H](C(=O)N1CCN(C(=O)C#CC2CC2)CC1)[C@H]1CCC(=O)N1 1011110228 QNURJDLBIQEZIB-GXTWGEPZSA-N 317.389 -0.015 30 20 DBED C#Cc1ccccc1CC(=O)N1C[C@@H]2C(NC(=O)C(N)=O)[C@H]2C1 1013688785 ZRBKDQWYPRCMAZ-STQMWFEESA-N 311.341 -0.731 30 20 DBED C=CCN1CC[C@@H](N2CC[C@@H](NC(=O)c3cnn(C)n3)C2)C1=O 1015842684 POHGZQSCMKFCGN-DGCLKSJQSA-N 318.381 -0.594 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@H]2OCCN(C(=O)CC(N)=O)[C@@H]2C1 1019908468 QJNHXXNZJAIPBZ-VXGBXAGGSA-N 323.393 -0.098 30 20 DBED Cc1[nH]nc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2O)c1C 1023233366 VUWBKPCPILXCPO-AVPPRXQKSA-N 305.338 -0.512 30 20 DBED Cc1nn(C)cc1CC(=O)N[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1O 1024245832 YZDPDEWWUBTZGH-OASPWFOLSA-N 319.365 -0.881 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)c3cnnn3C)C[C@H]2O)C1 1025523803 GTTQNZWQVZFXLK-ZYHUDNBSSA-N 319.365 -0.527 30 20 DBED Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2O)c(O)n1 1025798146 MCHRUCCJNWOIRY-GGZOMVNGSA-N 318.333 -0.443 30 20 DBED C=CCN[C@@H]1CC[C@H]2CN(C(=O)CCn3ncn(C)c3=O)C[C@H]21 1026314345 ADNDNVRKKBGFLV-BFHYXJOUSA-N 319.409 -0.016 30 20 DBED Cn1c(O)ncc(C(=O)N2C[C@@H]3CC[C@H](C2)N3CC#N)c1=O 1029417807 KQXHZDZRHWUZNZ-AOOOYVTPSA-N 303.322 -0.702 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)c3cc(C)n(C)n3)C2)C1=O 1030137474 FGRPNVHBPGLMEP-CQSZACIVSA-N 317.393 -0.071 30 20 DBED C#Cc1ccc(C(=O)NCC2CN(Cc3nc(O)n[nH]3)C2)nc1 1032134985 FSOGRSLKRJCYHR-UHFFFAOYSA-N 312.333 -0.252 30 20 DBED Cc1cc(C(=O)NC[C@H]2CN(CC#N)CCO2)ncc1C(N)=O 1035509505 ZPWCMPLGPTZZQI-NSHDSACASA-N 317.349 -0.557 30 20 DBED CC#CCN1CCO[C@@H](CNC(=O)c2ccc(=O)n(CC)n2)C1 1035551397 MQCUIGVANMBLAK-ZDUSSCGKSA-N 318.377 -0.283 30 20 DBED C#CCN1CC[C@H](C2CCN(C(=O)Cn3cnnn3)CC2)C1 1039104415 QWEASVFRUUWTNB-AWEZNQCLSA-N 302.382 -0.133 30 20 DBED C=C(C)CCC(=O)NC[C@]1(O)CCN(C(=O)CNC(N)=O)C1 1039951802 DVMSZHOFPLOHSM-CQSZACIVSA-N 312.370 -0.909 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)c2cscn2)C1 1042024078 ZYHSTJFEGKXMEW-UHFFFAOYSA-N 323.374 -0.514 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)CCn2cccn2)C1 1042035907 VAWMNMURFZCSLU-UHFFFAOYSA-N 322.365 -0.835 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)[C@H](C)CSC)C1 1042039613 FCLJHVAXAUJLQL-LLVKDONJSA-N 316.423 -0.122 30 20 DBED Cn1nc(C(=O)N2CC[C@H]3CCN(CC#N)[C@@H]3C2)ccc1=O 1042344001 QLQNZDQPTJVVCX-DGCLKSJQSA-N 301.350 -0.160 30 20 DBED C=C(C)CCC(=O)NCC1(O)CN(C(=O)Cc2cc[nH]n2)C1 1043312358 RVZWDLJWJVOGCS-UHFFFAOYSA-N 306.366 -0.002 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)C3CCOCC3)C2)nn1 1043827923 UCXDTKOKGBHYBR-OLZOCXBDSA-N 317.349 -0.559 30 20 DBED N#Cc1cccnc1N1C[C@H](O)[C@H](NC(=O)Cc2cncnc2)C1 1043921817 OYZADWAPKJXNOF-KGLIPLIRSA-N 324.344 -0.348 30 20 DBED C#CCCN1[C@H]2CC[C@H]1CN(C(=O)c1nnc(O)nc1O)CC2 1045808901 XYRPKGFFKYCNMG-QWRGUYRKSA-N 317.349 -0.015 30 20 DBED C#CCN1CC[C@@H](N2CCN(C(=O)[C@@H]3CCN(C)C3)CC2)C1 1046083001 ZVVFPNPXDBPOGK-HZPDHXFCSA-N 304.438 -0.210 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3nncn3CC2)C1 1047462881 NVRHNBACAWHCBF-RDBSUJKOSA-N 319.409 -0.080 30 20 DBED C#CCCCC(=O)N(C)[C@H]1CN(C(=O)Cc2cc[nH]n2)C[C@@H]1O 1048750648 ZRICRBFVFVDPTI-KBPBESRZSA-N 318.377 -0.214 30 20 DBED C=CCN1C[C@@H]2CCCN(C(=O)CN3CCN(C)C(=O)C3)[C@@H]2C1 1050081795 RUXKZVKLKLJAJK-LSDHHAIUSA-N 320.437 -0.131 30 20 DBED N#CCN1CCN([C@@H]2CCN(C(=O)C[C@H]3COC(=O)C3)C2)CC1 1052013134 ROWYOQVTTVDZSV-ZIAGYGMSSA-N 320.393 -0.318 30 20 DBED C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CNC(=O)C(N)=O)C2)cc1 1053121150 OGKRPKAOHLTOGO-BXUZGUMPSA-N 313.357 -0.023 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1C 1053301667 WPYSRWWIWCHPOK-NEPJUHHUSA-N 323.393 -0.335 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)CN3CCOCC3)CO2)C1 1053781346 JDYKTUZHEWMERB-CQSZACIVSA-N 307.394 -0.699 30 20 DBED CN1C[C@H](C(=O)N[C@@H]2COC3(C2)CN(CC#N)C3)CCC1=O 1054017738 KPCTUFBMHUSGBN-NEPJUHHUSA-N 306.366 -0.662 30 20 DBED CCC(=O)NCC(=O)N[C@@]1(CO)CCCN(C(=O)[C@@H](C)C#N)C1 1055836804 GEIDHEQCIQRREN-NHYWBVRUSA-N 324.381 -0.858 30 20 DBED Cn1cc(C(=O)N2CCN(c3cnc(C#N)cn3)CC2)nc1O 1056003300 DZTNIAYWQNAZDC-UHFFFAOYSA-N 313.321 -0.250 30 20 DBED Cn1cnc(C(=O)NC2[C@@H]3CN(c4cncc(C#N)n4)C[C@@H]23)n1 1056202959 QJNNGHQZIJBXTJ-NXEZZACHSA-N 310.321 -0.659 30 20 DBED N#Cc1ccc(N2CCCN(C(=O)[C@H]3CNC(=O)N3)CC2)nc1 1057216494 WPKRZMCMNKGHGW-GFCCVEGCSA-N 314.349 -0.327 30 20 DBED Cc1nnc(CC(=O)NCCN(CCO)C(=O)C#CC2CC2)o1 1057531131 GHYBNMZTYMMTPT-UHFFFAOYSA-N 320.349 -0.729 30 20 DBED C#CCOCCC(=O)N(CCO)CCNC(=O)c1cccnc1 1057578978 FQNLZCTYQRIIOM-UHFFFAOYSA-N 319.361 -0.328 30 20 DBED C=CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)C#CC1CC1 1057922061 WEIZTXOOHNINEC-ZDUSSCGKSA-N 308.378 -0.072 30 20 DBED CN1CC[C@@H](C(=O)N[C@H]2CCN(c3cncc(C#N)n3)C2)C1 1058373930 SVVBSVCKIODFMG-NEPJUHHUSA-N 300.366 -0.005 30 20 DBED C[C@@H]1OCCO[C@@H]1C(=O)N[C@H]1CCN(c2nccnc2C#N)C1 1058591031 UDCNPOYTQRVLMN-GVXVVHGQSA-N 317.349 -0.153 30 20 DBED C[C@H]1CCCN1CC(=O)NCCN(CCO)C(=O)[C@H](C)C#N 1058657115 QYUPUCWJHLWRMF-OLZOCXBDSA-N 310.398 -0.433 30 20 DBED CCc1n[nH]cc1C(=O)NCCN(CCO)C(=O)[C@H](C)C#N 1058663424 SEEZFMCQIRQOKZ-SNVBAGLBSA-N 307.354 -0.318 30 20 DBED N#Cc1ccc(NC[C@H]2CCCN(C(=O)CC(N)=O)C2)nn1 1060008696 CYOSBOJAIYBAMI-SNVBAGLBSA-N 302.338 -0.126 30 20 DBED CC(C)C#CC(=O)N1CCOC[C@H]1CNC(=O)c1cnon1 1061806734 UXOSLAYLEWJUSA-LLVKDONJSA-N 306.322 -0.314 30 20 DBED CN(CC1CCN(C(=O)CC(N)=O)CC1)c1ccnc(C#N)n1 1062212095 XPVWAVBGTCSRSI-UHFFFAOYSA-N 316.365 -0.102 30 20 DBED C=CCO[C@@H](C)C(=O)NC1(CNC(=O)CNC(C)=O)CCC1 1062412769 CITONJAAUDOHQX-NSHDSACASA-N 311.382 -0.131 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(C(=O)[C@H]2CCOC2)CCO1 1064935660 VVCVSFXRSVGVOA-KBPBESRZSA-N 306.362 -0.220 30 20 DBED C#CCCCC(=O)N1CCO[C@@H](CNC(=O)c2cnnn2C)C1 1065092919 OFXXZLBDNRLLGL-LBPRGKRZSA-N 319.365 -0.424 30 20 DBED COC[C@H](OC)C(=O)N1CCO[C@H](CNC(=O)C#CC2CC2)C1 1065590626 COTIYABJJGMTOL-KGLIPLIRSA-N 324.377 -0.595 30 20 DBED C=C1CC(C)(C(=O)N2CCO[C@@H](CNC(=O)CNC(C)=O)C2)C1 1065592939 IWKXBOSGNGQTRC-ZDUSSCGKSA-N 323.393 -0.178 30 20 DBED C=C[C@@H](CC)CC(=O)NC[C@@H]1CCC2(CN(C(=O)C(N)=O)C2)O1 1068609697 CNGJQTCVWPNTOW-RYUDHWBXSA-N 323.393 -0.050 30 20 DBED N#CCSCC(=O)N1CCC[C@]2(CCN(C(=O)C(N)=O)C2)C1 1069714959 IGPDRUWIZPYFPM-AWEZNQCLSA-N 324.406 -0.430 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)Cn2nccn2)C1 1069938809 IOKPYNQDVOTZMM-NEPJUHHUSA-N 302.342 -0.903 30 20 DBED CCn1cc(C(=O)N[C@@H]2CN(CC#N)C[C@@H]2n2ccnn2)nn1 1070065874 IFHZFNRTVQIZFG-PWSUYJOCSA-N 315.341 -0.932 30 20 DBED CN1C[C@H](C(=O)N2CCC[C@@H](NC(=O)C#CC3CC3)C2)CC1=O 1070851605 WTFSPTVPSDNSSC-ZIAGYGMSSA-N 317.389 -0.015 30 20 DBED C#CCN1CC[C@@]2(C1)CN(C(=O)c1c[nH]c(=O)cn1)C[C@@H](C)O2 1071201777 KSRBXZCXCQYHGZ-MLGOLLRUSA-N 316.361 -0.292 30 20 DBED CC(=O)N(C)CC(=O)N[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1C 1072047182 AUGANRCANXTBHI-FZMZJTMJSA-N 305.378 -0.159 30 20 DBED C=CCCN1C[C@H](NC(=O)c2cn(CC(N)=O)nn2)CC[C@@H]1C 1072099848 YDTXJJVDRVQATN-NWDGAFQWSA-N 320.397 -0.078 30 20 DBED CC#CCN1CCC2(C1)CN(C(=O)CN1C(=O)CNC1=O)C2 1073412485 SLRQOKXIMWFXGF-UHFFFAOYSA-N 304.350 -0.904 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@H]3OCCN(CC(N)=O)[C@H]3C2)c1 1074205661 VQPONZVUKVUXQI-QWHCGFSZSA-N 317.349 -0.713 30 20 DBED C=CCCC(=O)NCC1(O)CCN(C(=O)c2cn(C)nn2)CC1 1074572468 LIAPVKNNXKGWRG-UHFFFAOYSA-N 321.381 -0.135 30 20 DBED CC(C)C(=O)N1CCC(C(=O)N[C@@H]2CN(CC#N)C[C@H]2O)CC1 1077486666 KKGWJTNMZUOGLD-ZIAGYGMSSA-N 322.409 -0.434 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN(Cc3ncnn3C)C[C@H]2O)C1 1077641921 NTPKJQRKZHKTPN-VXGBXAGGSA-N 305.382 -0.167 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3nncn3C2)C1 1078223908 UNVUHASAWSUYSS-JHJVBQTASA-N 303.366 -0.975 30 20 DBED C[C@@H]1CN(CCS(C)(=O)=O)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 1079594044 VYFKBHODPPRCSC-ZWNOBZJWSA-N 324.406 -0.019 30 20 DBED C#CCO[C@@H](C)C(=O)NC1(CO)CCN(C(=O)C2CC2)CC1 1080860822 AQAJDIQSHIKGRI-LBPRGKRZSA-N 308.378 -0.096 30 20 DBED Cc1ncc(C(=O)N2CCC(CO)(NC(=O)[C@H](C)C#N)CC2)[nH]1 1080979962 FUODXMQYMUPVES-SNVBAGLBSA-N 319.365 -0.039 30 20 DBED CSCC(=O)NC[C@H]1CN(C(=O)CSCC#N)C[C@H]1O 1081237685 RTARUAIVRUZLAV-VHSXEESVSA-N 317.436 -0.458 30 20 DBED C=CCC1(C(=O)N2C[C@@H](O)[C@H](CNC(=O)CC(N)=O)C2)CCC1 1081368891 ULGTVPCOQQBGMV-VXGBXAGGSA-N 323.393 -0.456 30 20 DBED CCOCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1 1081413926 MZFDKBLWYHSKOM-MFKMUULPSA-N 320.349 -0.528 30 20 DBED C#CCOCCC(=O)NC[C@H]1CN(C(=O)CSC)C[C@@H]1O 1081484841 CLLBMNVBHRNJDW-RYUDHWBXSA-N 314.407 -0.675 30 20 DBED CC#CCCCC(=O)NC[C@H]1CN(C(=O)CNC(C)=O)C[C@@H]1O 1081669484 UDNDFIFDTLCCAN-KBPBESRZSA-N 323.393 -0.748 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@H]1CCc2nc(C)nn2C1 1081975203 UGSMSCGGILYSGQ-YNEHKIRRSA-N 318.381 -0.512 30 20 DBED CC#CCN1C[C@@H](NC(=O)Cn2ccc(C)cc2=O)[C@H](OC)C1 1082188833 UVIORMMAGQSVDG-HUUCEWRRSA-N 317.389 -0.005 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CN2CCC1CC2 1083083588 BCRDLMATUBYXDB-QLFBSQMISA-N 304.394 -0.237 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1ccc(C(N)=O)nc1 1083291508 KLRQVWRJZXPFIN-UONOGXRCSA-N 314.345 -0.661 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2cc3c(cn2)OCCO3)C1 1083532999 SVFHHLBERVCPDO-MNOVXSKESA-N 304.306 -0.849 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCS(=O)(=O)C2)C1 1083615401 RJRNEDDCQPRXSD-MXWKQRLJSA-N 322.814 -0.665 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(Cc2nnc(C)o2)C[C@@H]1O 1083790028 KWGZFDUQYZYSQZ-NDBYEHHHSA-N 322.365 -0.370 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)Cn2c(O)nc3ccccc32)C1 1083809228 AXPCSLBITALNAY-YPMHNXCESA-N 315.333 -0.573 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)c2cccn(C)c2=O)C1 1083966702 HGSPRDBKCWBZKF-NEPJUHHUSA-N 311.769 -0.087 30 20 DBED C=C(C)CN1CC[C@@H]2CN(C(=O)CN3CCOCC3=O)[C@@H]2C1 1084410475 KTZZFXMPAWFIBA-ZIAGYGMSSA-N 307.394 -0.046 30 20 DBED C#CCCN1CC[C@H]1CN(C)C(=O)[C@@H]1CCN(C)S1(=O)=O 1085868583 UGSLFTASHMCQPN-STQMWFEESA-N 313.423 -0.424 30 20 DBED C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H]2CCS(=O)(=O)N2)C1 1086554774 AYZGCSZEOPCVEL-DCAQKATOSA-N 321.830 -0.085 30 20 DBED C=CCCN1CC[C@H](NC(=O)c2nc3ncccn3n2)[C@H](O)C1 1090657855 IYNABEMEASXAAV-NWDGAFQWSA-N 316.365 -0.135 30 20 DBED C=CCCN1CC[C@@H](NC(=O)c2nccnc2C(N)=O)[C@H](O)C1 1090793322 INCLYDWLLGDHBR-GHMZBOCLSA-N 319.365 -0.683 30 20 DBED C[C@H](CC(N)=O)C(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1C 1090804205 MPNAMFUDBWRJCW-CKYFFXLPSA-N 316.365 -0.199 30 20 DBED CNC(=O)CC(=O)N1C[C@@H](Nc2cncc(C#N)n2)[C@H](C)C1 1090967951 PTYVTZOBBDEAPK-MWLCHTKSSA-N 302.338 -0.257 30 20 DBED CN1CC[C@@H](C(=O)NCC2CC(NCC#N)C2)S1(=O)=O 1091278029 GXBJDLSGYKBUAP-ILDUYXDCSA-N 300.384 -0.972 30 20 DBED N#Cc1ccc(N2CC[C@H](NC(=O)C#CC3CC3)[C@H](O)C2)nn1 1092150976 IXVXSHBNHRUZNM-UONOGXRCSA-N 311.345 -0.183 30 20 DBED CC(=O)NCC(=O)NCC1CC(Nc2nccnc2C#N)C1 1092186357 MVEUIVOZCSNHSL-UHFFFAOYSA-N 302.338 -0.209 30 20 DBED CC(=O)NCC(=O)N[C@H]1[C@@H]2CN(c3ccnc(C#N)n3)C[C@@H]21 1093215316 LKSGKHHJDQJNBI-MSRIBSCDSA-N 300.322 -0.965 30 20 DBED C#CCNC(=O)CC(=O)NCCNc1cc(Cl)c(O)nn1 1093558096 BWPDLXNLAZOKLL-UHFFFAOYSA-N 311.729 -0.497 30 20 DBED Cn1nnc2cc(C(=O)NCCN=c3cc[nH]c(C#N)n3)cnc21 1094000126 IKSQBXXAYOUAKB-UHFFFAOYSA-N 323.320 -0.711 30 20 DBED C#CCN1CC(n2cc(CNC(=O)c3nccn3CC)nn2)C1 1094287323 HLJCUMUAWWKCMQ-UHFFFAOYSA-N 313.365 -0.086 30 20 DBED N#Cc1nc(=NCCCNC(=O)CO[C@H]2CCOC2)cc[nH]1 1094592878 XRNXMCAGRPWWHI-NSHDSACASA-N 305.338 -0.506 30 20 DBED N#CCN1CC(N2C[C@@H](NC(=O)c3ccsn3)CC2=O)C1 1094748637 ABASYVHMDROFAC-VIFPVBQESA-N 305.363 -0.318 30 20 DBED CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NCCCNc1ccc(C#N)nn1 1094785668 MZBIRFOEJNOFAY-NWDGAFQWSA-N 316.365 -0.009 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC(=O)N(C2CN(CC)C2)C1 1094788383 RSLIPERRXOWVTN-YUTCNCBUSA-N 307.394 -0.001 30 20 DBED Cc1cc(C#N)nc(N2CC[C@H](NC(=O)C3(C(N)=O)CC3)C2)n1 1096475985 MBBUZRJXPMZJMV-JTQLQIEISA-N 314.349 -0.383 30 20 DBED N#Cc1cncc(N2C[C@@H]3CC[C@H](C2)N3C(=O)CNC(N)=O)n1 1096883054 WZVIZVJYZGBASQ-PHIMTYICSA-N 315.337 -0.804 30 20 DBED CCC(=O)N[C@@H](C)C(=O)NC[C@H](C)N=c1cc[nH]c(C#N)n1 1098342901 VIOHUEJNKPLHOV-UWVGGRQHSA-N 304.354 -0.399 30 20 DBED CN(C)C(=O)CC(=O)N1CC[C@@H](CN=c2cc[nH]c(C#N)n2)C1 1098579283 SMIAMZAUOZTULZ-NSHDSACASA-N 316.365 -0.491 30 20 DBED COCC(=O)N1C[C@H]2CC[C@H]1[C@@H]1CN(CC(=O)NCC#N)C[C@@H]21 1099380446 SKVGQRGFZLIOJY-RQJABVFESA-N 320.393 -0.559 30 20 DBED C=C(Cl)CN1CC[C@H](NC(=O)CN(C)C(C)=O)[C@H](O)C1 1099690624 RROWOXJHXRNEIH-NWDGAFQWSA-N 303.790 -0.231 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)/C=C\C2CC2)[C@H](O)C1 1099769181 OFXJZQXSQYBHSE-MEWZEZIVSA-N 305.378 -0.747 30 20 DBED CN(CCNC(=O)CN1C(=O)CCC1=O)c1cncc(C#N)n1 1100107058 RERSDYFBTSGVBA-UHFFFAOYSA-N 316.321 -0.950 30 20 DBED CO[C@@H](C(=O)NCCN(C)c1nccnc1C#N)[C@H]1CCOC1 1100250927 UKTIBBHVQTYFGV-WCQYABFASA-N 319.365 -0.048 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCN(CC)c1ccc2nnnn2n1 1100503888 AFUVHULTVIHMBI-CQSZACIVSA-N 319.369 -0.211 30 20 DBED C=C(C)CCNC1CC(CNC(=O)CN2C(=O)CNC2=O)C1 1100956187 TUUUPHNHFFAWNV-UHFFFAOYSA-N 308.382 -0.011 30 20 DBED N#Cc1ccc(N(CCNC(=O)[C@H]2C[C@H]2C(N)=O)C2CC2)nn1 1101447227 GPYAGDQMHBJTCF-NEPJUHHUSA-N 314.349 -0.445 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)c2cn(C)cn2)C1 1101875668 GQWZUHPCXODDAV-CHWSQXEVSA-N 317.393 -0.533 30 20 DBED CN(C[C@H]1CCN(C(=O)CNC(N)=O)C1)c1ccc(C#N)nc1 1102428025 POJMJMKZSVIIPL-LLVKDONJSA-N 316.365 -0.094 30 20 DBED CC(=O)N[C@H](C)C(=O)N(C)[C@@H]1CCN(c2nccnc2C#N)C1 1102668843 VHWREOILAVEHPJ-ZYHUDNBSSA-N 316.365 -0.090 30 20 DBED CC[C@H](CNC(=O)c1[nH]nnc1C)N=c1cc[nH]c(C#N)n1 1103257989 NFTXZMCLAZEIAL-SECBINFHSA-N 300.326 -0.183 30 20 DBED CNC(=O)NCC(=O)N1CCC[C@@H]1CNc1nccnc1C#N 1103824571 NPTUFQKQCUZLDP-SNVBAGLBSA-N 317.353 -0.320 30 20 DBED C#CCNCC[C@@H]1CN(C(=O)C[C@@H]2CC(=O)NC2=O)C[C@H]1C 1105121747 XSMHFRRNQNZSAU-UPJWGTAASA-N 305.378 -0.253 30 20 DBED CCn1nccc1C(=O)N1CC(n2cc(CNCC#N)nn2)C1 1105219717 NCTYULABOURMNE-UHFFFAOYSA-N 314.353 -0.195 30 20 DBED C=CCNCc1cn(C2CN(C(=O)CCNC(=O)NC)C2)nn1 1105230683 SIQNCDDRRNQSGN-UHFFFAOYSA-N 321.385 -0.744 30 20 DBED CN1CCC[C@H]1C(=O)NC[C@@H](O)CNc1nccnc1C#N 1105755205 KMNWJIJODQILPR-JQWIXIFHSA-N 304.354 -0.669 30 20 DBED Cc1nn(C)cc1C(=O)NC[C@@H](O)CNc1nccnc1C#N 1105763538 KLNMFDXHWSUKFB-JTQLQIEISA-N 315.337 -0.407 30 20 DBED CC[C@H](OC)C(=O)NC[C@H](O)CN=c1cc(C)[nH]cc1C#N 1105780380 RFGIHCLLMYOEKF-OCCSQVGLSA-N 306.366 -0.002 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H](O)CNC(=O)CC1OCCCO1 1105810531 SYGXECMSVOYSIZ-LBPRGKRZSA-N 320.349 -0.583 30 20 DBED N#Cc1cnc(NC[C@@H](O)CNC(=O)C[C@H]2COC(=O)C2)cn1 1105819063 ASUWMZNYLQQCQM-MWLCHTKSSA-N 319.321 -0.810 30 20 DBED CN1CC[C@@H](C(=O)NC[C@@H](O)CNc2cncc(C#N)n2)C1 1105853688 PUXMENMBDPGKOH-PWSUYJOCSA-N 304.354 -0.811 30 20 DBED C=CCO[C@@H](C)C(=O)NC[C@H](O)CNc1nccnc1C#N 1105891303 ALRCYQVNTMDIQU-WDEREUQCSA-N 305.338 -0.172 30 20 DBED C#CCOCCC(=O)NC[C@@H](O)CNc1ccc(C#N)nc1 1105966574 ORLIJDKZCIWBJA-AWEZNQCLSA-N 302.334 -0.118 30 20 DBED Cc1cncn1CC(=O)NC[C@H](O)CNc1nccnc1C#N 1106026841 TWQIIHWXPDAPBQ-NSHDSACASA-N 315.337 -0.558 30 20 DBED C[C@@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)[C@@H]1CCN(C)C1=O 1106532182 ZPKCUPZNJHOIGW-QWRGUYRKSA-N 316.365 -0.445 30 20 DBED CCC(=O)N[C@H](C)C(=O)N[C@@H](C)CCN=c1cc[nH]c(C#N)n1 1106618946 HWOSGDLFTFZHCW-WDEREUQCSA-N 318.381 -0.008 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)[C@H]1CCN(C)C1 1106768446 AVRBUIVCNWRCGM-LBPRGKRZSA-N 302.382 -0.018 30 20 DBED C=CCN1CC(n2cc(CNC(=O)CCCC(=O)NC)nn2)C1 1107162465 LLKURAYOAZXFTM-UHFFFAOYSA-N 320.397 -0.147 30 20 DBED COCCO[C@H](C)C(=O)NCc1cn(C2CN(CC#N)C2)nn1 1107217232 CCZAWLOQPJDWEM-LLVKDONJSA-N 322.369 -0.674 30 20 DBED N#Cc1cncc(NC/C=C\CNC(=O)C(=O)NCC2CC2)n1 1107310277 SVEGXUUCOFRHQP-UPHRSURJSA-N 314.349 -0.041 30 20 DBED COCC#CCN1CCO[C@@](C)(CNC(=O)c2cc[nH]n2)C1 1107759928 XTXSGUJSXQAPJF-HNNXBMFYSA-N 306.366 -0.120 30 20 DBED CC(C)(C)n1nnc(C(=O)NC[C@@]2(C)CN(CC#N)CCO2)n1 1107957154 VBBSPQDAQYBNOU-AWEZNQCLSA-N 321.385 -0.228 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)[C@@H]2CN(C(C)C)CCO2)C1 1108158497 GLNGHTYEPGBXEV-DOTOQJQBSA-N 323.437 -0.064 30 20 DBED CC(C)(C(N)=O)C(=O)NCC1(Nc2cncc(C#N)n2)CC1 1110256690 ZZXHPBLLVHKVIS-UHFFFAOYSA-N 302.338 -0.080 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cc(=O)n(C)o1 1110484506 BZZMHQKTLQLAEF-UPJWGTAASA-N 319.361 -0.037 30 20 DBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1nc[nH]n1 1111167193 TVOWXXVMTCDVOF-MXWKQRLJSA-N 304.354 -0.558 30 20 DBED Cn1nncc1C(=O)N(CCO)CCNc1ccc(C#N)cn1 1111459918 KKJXCIYSZMAPMS-UHFFFAOYSA-N 315.337 -0.372 30 20 DBED COC(=O)NCC(=O)N1C[C@@H](C)OC2(CCN(CC#N)CC2)C1 1111537170 QVQMCHYXSIJZDN-GFCCVEGCSA-N 324.381 -0.052 30 20 DBED C[C@@H](C#N)C(=O)N[C@]12CCC[C@H]1CN(Cc1nc(=O)n(C)[nH]1)C2 1111666873 NXSZDMHCGRLODE-PGUXBMHVSA-N 318.381 -0.261 30 20 DBED CN(CCCN(C)c1cncc(C#N)n1)C(=O)[C@@H]1CCNC1=O 1112151849 YTFJGTWPTRDMLH-GFCCVEGCSA-N 316.365 -0.231 30 20 DBED CCOCCC(=O)NC[C@@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1112703061 XGDRPGZUTAOBFI-YPMHNXCESA-N 319.365 -0.312 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCN(C[C@H](O)Cn2cccn2)CC1 1112805036 ZXJUDNYBFVYZLW-HOCLYGCPSA-N 322.409 -0.285 30 20 DBED C[C@@H](NC(=O)Cn1cnnc1O)[C@@H](C)Nc1ccc(C#N)nn1 1112977499 BFHIBIICACRCBM-RKDXNWHRSA-N 316.325 -0.349 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)CCCN(C)C)CC1 1113277289 GUOZJWHLBZJUGX-CQSZACIVSA-N 308.426 -0.390 30 20 DBED C[C@@H](CNC(=O)[C@H]1COCCO1)N(C)c1ccc(C#N)nn1 1113501880 PTNPJTALSIRJDC-CMPLNLGQSA-N 305.338 -0.295 30 20 DBED C=CCCOCC(=O)N1CCN(C[C@@H](O)Cn2cccn2)CC1 1113710893 YHNPAZQDHGBQFU-OAHLLOKOSA-N 322.409 -0.019 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@@H]2CN(Cc3nncs3)C[C@@H]12 1114159527 HCADFXLSYYOEGI-NXEZZACHSA-N 319.390 -0.776 30 20 DBED C=C[C@](C)(O)CC(=O)NC1[C@@H]2CN(Cc3cnn(C)n3)C[C@@H]12 1114194094 LGXNMBTXZZTLNQ-JMSVASOKSA-N 305.382 -0.311 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)c3coc(OC)n3)[C@@H]2C1 1114623625 BZGAYAGIJAWARM-NXEZZACHSA-N 320.349 -0.355 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)Cc3nc[nH]n3)[C@H]2C1 1115098160 AVUAASVKVRFIOX-DCAQKATOSA-N 318.381 -0.916 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)c3cn(CC)cn3)[C@@H]2C1 1115129030 XOWPQVBRCKFMEV-VXGBXAGGSA-N 315.377 -0.688 30 20 DBED N#Cc1nc(=N[C@@H](CO)CNC(=O)CCc2ccco2)cc[nH]1 1121060089 BZPRKBHORVHYOW-LLVKDONJSA-N 315.333 -0.115 30 20 DBED N#Cc1cncc(N[C@@H](CO)CNC(=O)C[C@@H]2CCOC2)n1 1121398214 GIKYPJDXPSZCGZ-CMPLNLGQSA-N 305.338 -0.336 30 20 DBED COCC[C@H](C)C(=O)NC[C@H](CO)Nc1nccnc1C#N 1121606817 JPLGRFPYLKZEKG-WDEREUQCSA-N 307.354 -0.090 30 20 DBED N#C[C@@H](C(=O)c1cscn1)C(=O)N1CCS(=O)(=O)CC1 1122496364 HPHINPBYFBNPTF-QMMMGPOBSA-N 313.360 -0.277 30 20 DBED Cc1cc(C#N)nc(N[C@@H](CO)CNC(=O)CCN(C)C)n1 1122542467 GQIPVGRZCNDADS-GFCCVEGCSA-N 306.370 -0.503 30 20 DBED CN(C)C(=O)CC(=O)NC[C@@H](CO)Nc1ccc(C#N)nc1 1122637160 RLDDQCHUDYPBOC-LBPRGKRZSA-N 305.338 -0.679 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)[C@@]23COC[C@@H]2C3)nc1 1122762503 ZPNJIKAWJBQLJX-ZOWXZIJZSA-N 302.334 -0.121 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)[C@H]2CCC(=O)NC2)nc1 1122830361 TZZGBFNRJJPXIP-NWDGAFQWSA-N 317.349 -0.632 30 20 DBED C=C(CC)C(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1123808853 BULODJGZPPNDSE-UHFFFAOYSA-N 307.354 -0.559 30 20 DBED CN(C[C@H](O)CN(C)c1cncc(C#N)n1)C(=O)CC(C)(C)O 1125100804 UWWJLNDOPNPUHK-GFCCVEGCSA-N 321.381 -0.235 30 20 DBED C#CCNC(=O)CC(=O)NCCNCCOCC(F)(F)F 1126002617 KSVOBVVGOUQBKE-UHFFFAOYSA-N 309.288 -0.589 30 20 DBED COCCN(CCNC(=O)[C@@H](C)C#N)c1ccc2nnnn2n1 1126261132 JRPSEEDBYLAHEO-JTQLQIEISA-N 318.341 -0.752 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCNCCOCCNC(C)=O 1126366731 YZAATRQDPKVVJX-CQSZACIVSA-N 301.387 -0.828 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCN[C@H](C)C(=O)NCCCOC 1126385059 SQEOKTIQIUVHGD-IUODEOHRSA-N 315.414 -0.440 30 20 DBED COCCN(CCNC(=O)C(N)=O)c1nc(C)ccc1C#N 1126508638 VWAIKDHVAWCRFY-UHFFFAOYSA-N 305.338 -0.684 30 20 DBED C=C(C)CN(CC)C(=O)[C@@H](C)NCCNC(=O)c1cn(C)nn1 1126658412 PSPCFRBHGCIUDM-GFCCVEGCSA-N 322.413 -0.052 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NCCN[C@H](C)C(=O)NC(N)=O 1127612716 AXGZBPXMBJGROR-MXWKQRLJSA-N 312.370 -0.743 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(CCOC)C[C@@H]1n1ccnn1 1128812365 XLUOEYLYVHSUBX-OLZOCXBDSA-N 309.370 -0.531 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1cnc(C)nc1OC 1128915087 SXPKHEMWVCNHDQ-UHFFFAOYSA-N 307.354 -0.585 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)c2cncnc2O)C1=O 1130072222 DUDANNLFUXEAPT-NSHDSACASA-N 305.338 -0.712 30 20 DBED C#CCCCC(=O)N1C[C@H]2C[C@@H]3CN([C@@H](C)C(N)=O)C[C@]2(C1)O3 1131219699 ALSGFHSTOAFVLB-ZOMKSWQUSA-N 319.405 -0.035 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@@H]2C[C@@H]3CN(CCO)C[C@]2(C1)O3 1131231213 WQGQKCNUKVLBRD-HLPPOEQASA-N 308.378 -0.681 30 20 DBED N#CCN1CCNC(=O)CCN(C(=O)CCOCC2CC2)CC1 1131360171 KPUSWCSCQANXTR-UHFFFAOYSA-N 322.409 -0.023 30 20 DBED CNC(=O)NCC(=O)N1C[C@H](C)O[C@]2(CCN(CC#N)C2)C1 1131666470 PHDSWEOLYPHYMD-FZMZJTMJSA-N 309.370 -0.869 30 20 DBED C[C@H]1CC[C@H](NC(=O)C2=COCCO2)CN1CC(=O)NCC#N 1131776768 WIZFRLRLEDJNKP-RYUDHWBXSA-N 322.365 -0.517 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)CC(=O)N(C)C)CC[C@@H]1C 1132346257 WRELKQNBKJTKPP-STQMWFEESA-N 324.425 -0.264 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)C1=COCCO1 1133583039 YSXMFLXNBYSCSP-VXGBXAGGSA-N 309.366 -0.503 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)NCCN[C@@H]1CCN(CC)C1=O 1134816477 DLNUSLSIEVVZFS-ZIAGYGMSSA-N 324.425 -0.216 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NCCNCC(=O)NCCC 1134816971 JZWPLWZRQYTSRO-ZDUSSCGKSA-N 312.414 -0.311 30 20 DBED C#CCN[C@H](C)C[C@@H](C)NC(=O)CN(C)CC(=O)NC(C)C 1134838970 GYOLSJHYUNAMOR-ZIAGYGMSSA-N 310.442 -0.051 30 20 DBED C[C@H](C[C@@H](C)NC(=O)Cn1nc2ccccn2c1=O)NCC#N 1135167266 STBWVAIGERBWLQ-VXGBXAGGSA-N 316.365 -0.108 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)c1ncccn1 1135731066 WNWUVTZDCVQWLG-NEPJUHHUSA-N 303.366 -0.288 30 20 DBED C=CCCO[C@@H](C)C(=O)NCCCNCc1nc(=O)n(C)[nH]1 1155428277 ZCGRNQJKBOELGU-NSHDSACASA-N 311.386 -0.315 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)CCc1cn[nH]c1 1155724301 HFKODSFCYXEMFZ-CYBMUJFWSA-N 319.409 -0.082 30 20 DBED C#CCNC(=O)CC(=O)NCCCNCC(=O)NC(C)(C)CC 1156857561 VHSXVPGIMMQTMN-UHFFFAOYSA-N 324.425 -0.473 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)c1cc(OC)no1 1156900828 CNRJEMUXOWBSGB-JTQLQIEISA-N 308.338 -0.469 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)[C@@H](C)c1ccnn1C 1158288196 RFNFXYOIRHNLTQ-QWHCGFSZSA-N 319.409 -0.243 30 20 DBED N#CCNC(=O)CNCCCNC(=O)CCc1ccncn1 1159045382 MKIASSJTAJTWTF-UHFFFAOYSA-N 304.354 -0.855 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)[C@@]1(C)CCNC(=O)C1 1160897070 MHZMWIVVKZOIFU-WBMJQRKESA-N 322.409 -0.864 30 20 DBED C=CCn1cc(C(=O)NCCCN[C@H](C)C(=O)NC2CC2)nn1 1167847779 MQJMNMXRJNNLDV-LLVKDONJSA-N 320.397 -0.159 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)CCCn1cncn1 1170289552 OHTUGICYLFFIQT-CYBMUJFWSA-N 322.413 -0.155 30 20 DBED CC#CCN1CCO[C@@H]2CCN(C(=O)C3(C(=O)NC)CC3)C[C@@H]21 1177113800 YTOCWHPXYUVGCV-UONOGXRCSA-N 319.405 -0.162 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2cnns2)[C@H]1C 1178189019 SJLUVKOFBBBZCX-UWVGGRQHSA-N 307.379 -0.520 30 20 DBED C#CCCNCCCCCCNC(=O)Cn1cnc(C(N)=O)n1 1178521677 BFQIFNBMIQVNRR-UHFFFAOYSA-N 320.397 -0.334 30 20 DBED C#CCN[C@H]1CCN(C(=O)[C@H](CCC)S(N)(=O)=O)[C@H]1C 1179230908 WGLPLHQKXLHBLB-SRVKXCTJSA-N 301.412 -0.344 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)CN2CC[C@H](C)C2)[C@H]1C 1179539302 UUMIPMXBHGBRLH-KKUMJFAQSA-N 320.437 -0.343 30 20 DBED CC#CCN[C@@H]1CCN(C(=O)CN2C(=O)CC(C)(C)C2=O)C1 1182606660 HCXVHCZUHRPQPD-GFCCVEGCSA-N 305.378 -0.015 30 20 DBED C=CCNC[C@@H]1CCN(C(=O)Cn2ncn(C)c2=O)C[C@@H]1C 1184684324 ONNZXLJKLIVUDP-STQMWFEESA-N 307.398 -0.158 30 20 DBED C#CCNC[C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C[C@@H]1C 1184922993 IPKGUFKKICFCOF-KBPBESRZSA-N 306.410 -0.874 30 20 DBED CS[C@@H](C)C(=O)N1CC[C@H]2CN(CC(=O)NCC#N)C[C@H]21 1186925018 NUGZPNIICZVGOQ-SDDRHHMPSA-N 310.423 -0.090 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)CNC(=O)CCC)C1 1189171199 USBDSJBHPKUJAY-CYBMUJFWSA-N 322.409 -0.815 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)CO[C@H]2CCOC2)C1 1190122017 UXXUWMCJFMMVJK-KGLIPLIRSA-N 323.393 -0.926 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](N(C)Cc2ncnn2C)C1 1190122070 VOXYVHKLHNXWKW-CYBMUJFWSA-N 305.382 -0.112 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CN(Cc2cccc(C(N)=O)c2)C[C@H]1O 1191863543 GIBBOEMCLACCRM-LERXQTSPSA-N 316.361 -0.394 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)C2=CCCC2)C1 1192172758 VRJZYIULGWJLRA-MRVWCRGKSA-N 307.394 -0.051 30 20 DBED C=CCCCN1C[C@@H](O)[C@H](NC(=O)C(=O)NCC(F)F)C1 1194329465 PHLSCPWKFHVLIF-NXEZZACHSA-N 305.325 -0.505 30 20 DBED C=CCNC(=O)[C@@H](C)N(C)[C@H]1CCN(C(=O)CCCC(N)=O)C1 1194482579 ADCSXVYGAWBACL-OLZOCXBDSA-N 324.425 -0.135 30 20 DBED COc1cc(C(=O)N2CCCN(CC(=O)NCC#N)CC2)on1 1195541593 YHRPXNVLQAJRJU-UHFFFAOYSA-N 321.337 -0.529 30 20 DBED CC[C@@H]1OCC[C@H]1C(=O)N1CCCN(CC(=O)NCC#N)CC1 1196587171 VSSAEWCRLQAXFK-KGLIPLIRSA-N 322.409 -0.024 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H](NC(C)=O)[C@@H](C)CC)C1 1198918413 ZKWAYHRLGSEZLB-MYPMTAMASA-N 309.410 -0.278 30 20 DBED N#CCNC(=O)CNC1CCN(C(=O)Cc2cncnc2)CC1 1200291974 QCIABSPHAWPGSX-UHFFFAOYSA-N 316.365 -0.761 30 20 DBED CC#CCNC[C@H]1CN(C(=O)[C@H]2COCCN2CC)CCCO1 1200858353 FJBDJUDZFWDCCO-JKSUJKDBSA-N 323.437 -0.063 30 20 DBED C=CCCNC[C@@H]1CN(C(=O)[C@H]2CN(C)C(=O)N2)CCCO1 1201156709 ZZKNJKLXHFYWCM-CHWSQXEVSA-N 310.398 -0.207 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)C[C@H]2CCC(=O)N2)CC1 1202896095 MITNATCKHNVWRG-CYBMUJFWSA-N 322.409 -0.462 30 20 DBED CC#CCNC1CCN(C(=O)CC[C@H]2NC(=O)NC2=O)CC1 1203633371 QZSYVSPEPVEMGF-GFCCVEGCSA-N 306.366 -0.422 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)[C@H]2CCO[C@@H]2C)CC1 1206687602 BIMMDTUGYULLTL-HIFRSBDPSA-N 321.421 -0.011 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)CCc2nc[nH]n2)[C@H](C)C1 1206798706 LTOPUFRHZLNOCG-VXGBXAGGSA-N 320.397 -0.524 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)c2cc[nH]n2)C1 1207418282 BNVRMPRHPVISRW-VXGBXAGGSA-N 303.366 -0.258 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)c2ccnn2C)C1 1207604055 XEBZNRZOJVZYMJ-CHWSQXEVSA-N 317.393 -0.248 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)c2c[nH]nc2CC)C1 1208474491 MCKZIFOGRQSIHM-GFCCVEGCSA-N 317.393 -0.084 30 20 DBED CO[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1NC(=O)C#CC(C)(C)C 1212253968 MOFQPIDSURNTEC-GHMZBOCLSA-N 324.381 -0.954 30 20 DBED COCC#CCN1C[C@@H](NC(=O)[C@H]2CCCC(=O)N2)[C@H](OC)C1 1212442611 RQGUEASGEDSNLR-MGPQQGTHSA-N 323.393 -0.880 30 20 DBED C#CCCN1C[C@@H](NC(=O)CCn2cnccc2=O)[C@H](OC)C1 1213645068 QTHGJAZMGIAFFU-ZIAGYGMSSA-N 318.377 -0.528 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1C 1215989955 PKJUUTMLTHTAQW-GMTAPVOTSA-N 306.370 -0.455 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2cc(C)no2)C[C@@H]1O 1219603356 YMSUSMKPERKDCB-BNOWGMLFSA-N 307.350 -0.317 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)c2cn3c(n2)CCC3)C1 1219656371 ZVJUZJGZHGKYSV-OCCSQVGLSA-N 318.377 -0.746 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)c2onc(C)c2C)C1 1219855124 NBCVOQIFULKVPV-OLZOCXBDSA-N 307.350 -0.284 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1CN([C@H](C)c2nnnn2C)C[C@@H]1O 1220141335 PMPXPCQOMXGILC-MXWKQRLJSA-N 308.386 -0.355 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)C2(CF)CC2)C1 1220340993 JYLFSKMQUNNTIE-UTUOFQBUSA-N 311.357 -0.965 30 20 DBED COCC#CCN1CCC(CNC(=O)Cn2cnnc2O)CC1 1222937501 WYDSUEZKRMEGKE-UHFFFAOYSA-N 321.381 -0.538 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCCC[C@H]1NC(=O)CC(N)=O 1225500942 IGOXTUMENBAZGP-IJLUTSLNSA-N 308.382 -0.983 30 20 DBED C[C@@H](C(=O)NC1CCN(CC(=O)NCC#N)CC1)n1cccn1 1226127652 HGYYKMWKTWPILQ-LBPRGKRZSA-N 318.381 -0.336 30 20 DBED CC(=O)NCCOCCN1CC[C@@H]1CN(C)C(=O)[C@@H](C)C#N 1231292137 BBXHWEOYCBUHPC-GXTWGEPZSA-N 310.398 -0.169 30 20 DBED C[C@H](C#N)C(=O)N(C)C[C@@H]1CCN1CCN1C(=O)CCC1=O 1231293189 KCGOUULODRTFCJ-NEPJUHHUSA-N 306.366 -0.172 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)N2CC([C@H]3CCOC3)C2)C1 1261486705 DDAGXTYHFGBRCT-NHYWBVRUSA-N 307.350 -0.642 30 20 DBED CNC(=O)c1cccc(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)c1 1318305768 FCNAKYPVHXBXMD-LBPRGKRZSA-N 316.317 -0.264 30 20 DBED COCCCN(CC(=O)NCCC#N)[C@H]1CCS(=O)(=O)C1 1319387058 XJVRVWRGYQNEOR-LBPRGKRZSA-N 317.411 -0.458 30 20 DBED N#CCCCS(=O)(=O)NC[C@@H]1CCC[C@@]12NC(=O)NC2=O 1319388053 HMIOCYJQQGBONS-JOYOIKCWSA-N 314.367 -0.412 30 20 DBED CCN(C(=O)C(=O)Nc1cc(C)c(C#N)cn1)[C@@H]1CCNC1=O 1332894534 SJBNARMKKZTLGZ-LLVKDONJSA-N 315.333 -0.063 30 20 DBED C=CCOCCNC(=O)C(=O)N[C@@H](CC)CN1CCOCC1 1334201478 KVAHXDWIZJFUKF-ZDUSSCGKSA-N 313.398 -0.468 30 20 DBED C=CCn1cc(Cn2nnnc2N(C)C[C@H]2CCOC2)nn1 1335124419 VCUSESMIBCAAKC-LLVKDONJSA-N 304.358 -0.028 30 20 DBED C=C[C@H](COC)NC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 1338150774 HTCDKCDEUGCUNC-SECBINFHSA-N 318.333 -0.437 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCC2(CC1)C[C@H]2C(=O)OC 1346542432 GAMWZZQEGKJXBM-LBPRGKRZSA-N 322.361 -0.446 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)nn1 1349742117 XNKPJLZQMAYCMK-UTUOFQBUSA-N 305.338 -0.484 30 20 DBED N#Cc1cccc(OCC(=O)NC[C@H](O)Cn2ccnn2)c1 1363009627 WYTFBXQJVIHIAN-LBPRGKRZSA-N 301.306 -0.294 30 20 DBED N#Cc1cnn2c(O)cc(CNC3(C(N)=O)CCOCC3)nc12 1363266656 ZWJZMGUIHHRZNH-UHFFFAOYSA-N 316.321 -0.569 30 20 DBED CNC(=O)N1CCN(Cc2cc(O)n3ncc(C#N)c3n2)CC1 1364398570 AIGUQECAWGZXBA-UHFFFAOYSA-N 315.337 -0.236 30 20 DBED C=C(Cl)CN1CC(CNC(=O)CN2CCOCC2=O)C1 1377978274 ZPEZAIJZLDFWSZ-UHFFFAOYSA-N 301.774 -0.354 30 20 DBED CCc1cc(C(=O)NC[C@H](O)CNC(=O)[C@H](C)C#N)nn1C 1392127828 GZXBTXOPXYUCLD-MWLCHTKSSA-N 307.354 -0.651 30 20 DBED CCOc1nc(C(=O)NC[C@H](O)CNC(=O)[C@@H](C)C#N)co1 1392142295 HGYPBEBZKPMSJK-DTWKUNHWSA-N 310.310 -0.560 30 20 DBED CCS(=O)(=O)CC(=O)NCCN(C(=O)[C@H](C)C#N)C1CC1 1398325115 JIHBYZUPLVDRQS-SNVBAGLBSA-N 315.395 -0.312 30 20 DBED CC[C@H](CNC(=O)CNC(=O)NC)NC(=O)c1ccc(C#N)[nH]1 1398979077 HIXSGHRWUKESDW-SECBINFHSA-N 320.353 -0.560 30 20 DBED C[C@@H](C#N)C(=O)NCC1CN(CC(=O)NC[C@H]2CCCO2)C1 1400472935 OBUGZSBWLMZFGB-WCQYABFASA-N 308.382 -0.511 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H](O)CNC[C@H]2CCCOC2)c1 1406223218 YOCPCWRZPZLUGT-DGCLKSJQSA-N 306.366 -0.007 30 20 DBED CO[C@@H]1[C@@H](C)[C@@H](NC(=O)Cn2cc(C#N)c(O)nc2=O)C1(C)C 1412750644 OBRWPDXFRSDIDA-XXILOJSOSA-N 320.349 -0.004 30 20 DBED C[C@@H](C(=O)N[C@@H]1CCCN(CCCO)C1)n1cnc(C#N)n1 1412975165 FQFIHDXGNOWKCY-NWDGAFQWSA-N 306.370 -0.326 30 20 DBED N#CCc1ccnc(NC(=O)NC[C@]2(O)CCS(=O)(=O)C2)c1 1413604418 HJFFRYQQYNASPJ-CYBMUJFWSA-N 324.362 -0.181 30 20 DBED Cc1c(C(=O)NC[C@@H](C)NC(=O)c2c[nH]c(C#N)c2)nnn1C 1415134921 WSZPMIULQSTPJL-MRVPVSSYSA-N 315.337 -0.128 30 20 DBED COCCC(C)(C)CNC(=O)Cn1cc(C#N)c(O)nc1=O 1417709984 VCXNXEBOOFDPON-UHFFFAOYSA-N 308.338 -0.001 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C(=O)COCc2ccnn2C)CC1 1429470871 CHQUZNFGWBHJAA-LBPRGKRZSA-N 319.365 -0.233 30 20 DBED N#CCCN1CCN(C(=O)NCc2ccc(C(N)=O)nc2)CC1 1434782584 LGLAGISADYDFPI-UHFFFAOYSA-N 316.365 -0.079 30 20 DBED C[C@@H](C#N)C(=O)NCCN1CCN(C(=O)c2cn(C)cn2)CC1 1453951647 WGPRXGDNXWRPQX-LBPRGKRZSA-N 318.381 -0.546 30 20 DBED Cn1ncc(NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1=O 1467417231 UKPSKKNDZGUYIR-GFCCVEGCSA-N 302.338 -0.016 30 20 DBED C#CCCCC(=O)N[C@@H]1CCN(CCN2C(=O)CNC2=O)C1 1494749976 IRYYWIOVITXOOA-GFCCVEGCSA-N 306.366 -0.468 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H]1CCN(CC(=O)N(C)C)C1 1566675037 KHBHBZZSFDKQLA-UONOGXRCSA-N 324.425 -0.264 30 20 DBED N#Cc1cn(CC(=O)NC2(C(=O)O)CCCC2)c(=O)nc1O 1574248071 BOEBHMUMAYLCNY-UHFFFAOYSA-N 306.278 -0.666 30 20 DBED C#CCN1CCN(c2nnc([C@H]3COCCN3)n2CC=C)CC1 1574707511 UTHFQIJHQQVITJ-CQSZACIVSA-N 316.409 -0.120 30 20 DBED C#CCN1CCC[C@H]1c1nnc(N2CCO[C@@H](C(=O)O)C2)n1C 1588476779 GNYAFXQHDAZPIC-NWDGAFQWSA-N 319.365 -0.125 30 20 DBED C=CC[C@@H](OC(=O)CN1CCC[C@H](C(=O)OC)C1=O)C(=O)O 1588753783 NHNVURROHOMHIV-VHSXEESVSA-N 313.306 -0.030 30 20 DBED C[C@](C#N)(NC(=O)CN1CCNC(=O)[C@@H]1CC(=O)O)C1CC1 1589323748 LNXHZIVMGQCHCD-IINYFYTJSA-N 308.338 -0.930 30 20 DBED CN1C[C@@H](C(=O)O)N(C(=O)c2ccc(C#N)c(O)c2)CC1=O 1598563116 PZHDYZCHFAZRCT-JTQLQIEISA-N 303.274 -0.369 30 20 DBED CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1C(=O)O 1598634858 YFAPYRXLZRRKGB-SSDOTTSWSA-N 311.319 -0.331 30 20 DBED N#C[C@]1(NC(=O)CN2CCC[C@H](C(=O)O)C2=O)CCSC1 1601057175 OHZNDNYDROHAOY-TVQRCGJNSA-N 311.363 -0.175 30 20 DBED N#CCCN1CCN(S(=O)(=O)c2cc(C(=O)O)[nH]n2)CC1 1601068086 GCDXFDRYKZSAAV-UHFFFAOYSA-N 313.339 -0.672 30 20 DBED N#Cc1cc(C(=O)NCC2CN(C(=O)[C@H]3C[C@@H]3C(=O)O)C2)c[nH]1 1601085540 BRAOCTLYMOVATD-RYUDHWBXSA-N 316.317 -0.205 30 20 DBED C#CC1(O)CN(S(=O)(=O)Cc2cccc(-c3nn[nH]n3)c2)C1 1602691062 QZDFOLYILVGKFM-UHFFFAOYSA-N 319.346 -0.624 30 20 DBED C=CCN(CC(=O)O)S(=O)(=O)c1cnn(CC(=O)O)c1 1602887627 DFIJYNCOXGBJAO-UHFFFAOYSA-N 303.296 -0.771 30 20 DBED Cn1c(=O)[nH]c(N(CCC(F)(F)F)CC(=O)O)c(C#N)c1=O 1608075579 FUXNUARNBURPTP-UHFFFAOYSA-N 320.227 -0.211 30 20 DBED O=C(O)[C@@H]1CS(=O)(=O)CCN1C(=O)C#Cc1cccs1 1608647704 RYLNEUAVUIBTTP-JTQLQIEISA-N 313.356 -0.190 30 20 DBED CN(CC(N)=O)C(=O)[C@H](C#N)Cc1ccc(-c2nn[nH]n2)cc1 1609272852 DGBCZPQZVSWAFM-NSHDSACASA-N 313.321 -0.507 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)CCCn2ccnc2)C1 1661050001 YRJBXYDSDQTIJR-AWEZNQCLSA-N 317.393 -0.397 30 20 DBED CN(CC(=O)N1CCCC[C@@H]1CNCC#N)S(C)(=O)=O 1673107012 NGNKROLVKNCNNB-LLVKDONJSA-N 302.400 -0.628 30 20 DBED C#CCNC(=O)CN1CCN(CCNC(=O)[C@H](F)CC)CC1 1752371352 UGKYMHVJJUXWKS-CYBMUJFWSA-N 312.389 -0.782 30 20 DBED N#CCNC(=O)CN[C@H]1CCC[C@@H](NC(=O)c2cc[nH]n2)C1 1752965122 MAZBZAMRPBAUBM-WDEREUQCSA-N 304.354 -0.320 30 20 DBED C=CCn1cc(C(=O)NCC[C@H](C)N[C@@H]2CCCNC2=O)nn1 1753015636 RKQOECBLHXSONU-NWDGAFQWSA-N 320.397 -0.159 30 20 DBED C#CCNC(=O)[C@H](C)N(CCC)CCNC(=O)c1cn(C)nn1 1753144013 HNHAVLHCOBJOIX-LBPRGKRZSA-N 320.397 -0.605 30 20 DBED CCC[C@H](C(=O)N(C)CCNCC#CCOC)S(N)(=O)=O 1753216827 KFCMYXAFGROZIB-GFCCVEGCSA-N 319.427 -0.859 30 20 DBED C=CCNC(=O)CN1CC(NC(=O)c2ccc(C)nc2O)C1 1753390762 YVPSNYDAKGPZAW-UHFFFAOYSA-N 304.350 -0.188 30 20 DBED CCNC(=O)NC(=O)CN[C@H](CC)CNC(=O)C#CC(C)C 1753471126 GNMGRIFKCVWZPK-GFCCVEGCSA-N 310.398 -0.024 30 20 DBED C=CCNC(=O)CNC[C@](C)(NC(=O)[C@@H]1CCNC1=O)C1CC1 1753521657 QOTOUNOBQSJFGI-WBMJQRKESA-N 322.409 -0.701 30 20 DBED C#CCNC(=O)CN[C@@H](CNC(=O)C1CCOCC1)C(C)C 1753822164 CRXHFIRCQDAZJJ-AWEZNQCLSA-N 309.410 -0.107 30 20 DBED C#CCN(C(=O)C(N)=O)C1CCN(Cc2cnsn2)CC1 1754640525 VGZCWFPNPQLAGF-UHFFFAOYSA-N 307.379 -0.550 30 20 DBED C#CCNC1(CNC(=O)[C@@H]2CCCN2C(N)=O)CCOCC1 1754741532 JOEDGXOJYSBZEM-LBPRGKRZSA-N 308.382 -0.582 30 20 DBED N#CCN1CC[C@](O)(CNC(=O)C[C@@H]2CCCS2(=O)=O)C1 1754755633 BHPQMWNKMRFGOG-AAEUAGOBSA-N 315.395 -0.970 30 20 DBED CN(C)c1ncccc1C(=O)NC[C@@]1(O)CCN(CC#N)C1 1754761687 AJZFZFYROVBXFF-HNNXBMFYSA-N 303.366 -0.162 30 20 DBED C=CCN1CC[C@H](N2CC(O)(CNC(=O)[C@@H](C)C#N)C2)C1=O 1754765021 VBCKWNFYXFTAHR-RYUDHWBXSA-N 306.366 -0.904 30 20 DBED C=CCCN1CCC[C@](CO)(NC(=O)C[C@@H](C)NC(N)=O)C1 1754856370 KALQQGOPIQNHBC-DOMZBBRYSA-N 312.414 -0.048 30 20 DBED CC1(C)CC[C@H](C(=O)N(CCO)CCNCC(=O)NCC#N)C1 1754892052 COVFNXKFIWJFDZ-ZDUSSCGKSA-N 324.425 -0.137 30 20 DBED COCC#CCNC1(C)CCN(C(=O)Cn2ncnn2)CC1 1755128184 VSNWEMXUSQOTQE-UHFFFAOYSA-N 306.370 -0.706 30 20 DBED C#CCN1CC([C@@H](C)NC(=O)CCCCCS(N)(=O)=O)C1 1755392477 SSQMRDAWXLFATM-GFCCVEGCSA-N 315.439 -0.095 30 20 DBED COCCC(=O)N1CC2(CCCN(CC(=O)NCC#N)C2)C1 1755451697 HBFPCSSHDDMOOB-UHFFFAOYSA-N 308.382 -0.413 30 20 DBED C#CCNC(=O)CN[C@H](CO)CNC(=O)c1ccc(CC)s1 1755641736 JKFWFPFFVPLMTN-NSHDSACASA-N 323.418 -0.260 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CC(N(C)C(=O)C(C)(C)C(N)=O)C1 1755857366 JSLWLXHUAUNZJA-VOMCLLRMSA-N 322.409 -0.785 30 20 DBED N#CCSCC(=O)NC[C@@H](CO)NC(=O)[C@@H]1CCCOC1 1756504253 ZCQSHUKQZZRAST-MNOVXSKESA-N 315.395 -0.737 30 20 DBED C#CCCCC(=O)NC[C@H](CO)NC(=O)c1n[nH]c(C)c1O 1756514909 BFWPTMJRZSYRBN-SNVBAGLBSA-N 308.338 -0.566 30 20 DBED Cn1ncc(C(=O)N[C@H](CO)CNC(=O)C#CC2CC2)c1Cl 1756519975 RTMKKJITAFUSEX-JTQLQIEISA-N 324.768 -0.306 30 20 DBED C=CCC(C)(C)C(=O)NC[C@@H](CO)NC(=O)C1(C(N)=O)CC1 1756522633 NNNIPBXRNQTSMQ-JTQLQIEISA-N 311.382 -0.553 30 20 DBED C=C(C)CCC(=O)N(C)C[C@H](O)CNC(=O)CN(C)C(C)=O 1756665628 LZMUJAQVEKGAJT-CYBMUJFWSA-N 313.398 -0.244 30 20 DBED N#CCSCC(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2CCC(=O)N2)C1 1757310550 CJXCLHFQLAFXOV-AXFHLTTASA-N 324.406 -0.467 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)C#C)C2)C1 1783046529 LEFKRHUODFNGCC-BBRMVZONSA-N 304.346 -0.512 30 20 DBED COC[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC#N 1795078824 LYDLPVHQKCGTTQ-NRWUCQMLSA-N 309.366 -0.228 30 20 DBED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(C)=O)CCO2)C1 1835195909 HYTOKGPPTDUHFF-CJNGLKHVSA-N 324.377 -0.499 30 20 DBED O=C1CC[C@@H](C(=O)N2CCCC23CN(C(=O)C#CC2CC2)C3)N1 1842735464 XERSNEBOQFLTAZ-ZDUSSCGKSA-N 315.373 -0.118 30 20 DBED CCN(C)[C@H](C)C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846196832 UYYDSMMRWBYONB-GFCCVEGCSA-N 321.377 -0.382 30 20 DBED C#CCC(C)(C)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 185186824 ZFZCEOWVXKLGPQ-UHFFFAOYSA-N 305.378 -0.015 30 20 DBED CC(C)[C@H](C#N)N1CCN(C(=O)CNC(C)(C)CC(N)=O)CC1 186238413 HNFJYRKYMDJRBH-ZDUSSCGKSA-N 323.441 -0.078 30 20 DBED NC(=O)c1cccc(C/N=C(\N)NCCCN2CCOCC2)c1 264084094 IMIAOTZVKWGNJB-UHFFFAOYSA-N 319.409 -0.088 30 20 DBED COCCn1c(N)c(C(=O)CN(C)C[C@H](C)C#N)c(O)nc1=O 264218694 OOYYOUIPRZJEAP-SECBINFHSA-N 323.353 -0.548 30 20 DBED C#CCSCCNC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 266336219 TYZFPDRCHYUIBO-FPQZTECRSA-N 322.386 -0.369 30 20 DBED C#CCNC(=O)CN1CCCN(S(=O)(=O)CC(=C)C)CC1 280628630 SNYRUTXJMSOGEI-UHFFFAOYSA-N 313.423 -0.351 30 20 DBED C=CCNC(=O)[C@H](C)N1CCC(n2cnc(C(N)=O)c2N)CC1 283965842 IEILHKWWGRJDCA-JTQLQIEISA-N 320.397 -0.108 30 20 DBED C#Cc1cccc(NC(=O)C(=O)NCCS(=O)(=O)N(C)C)c1 290465226 RLTWAHUODVESRB-UHFFFAOYSA-N 323.374 -0.386 30 20 DBED CS(=O)(=O)N1CCC[C@@H]1C/N=C(/O)NC[C@]1(O)CCOC1 328851818 SCRBTTOLHXPPKJ-ZYHUDNBSSA-N 321.399 -0.935 30 20 DBED C[C@H](CN1CCCC1=O)N/C(O)=N/C[C@@H]1CN(C)CCN1C 329505817 ZMNQGTQWBSGDPV-CHWSQXEVSA-N 311.430 -0.253 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)NCCOCC(F)(F)F)CCO1 336920158 QZGNKPFAXKHRFM-MRVPVSSYSA-N 317.289 -0.376 30 20 DBED CCN(CCC#N)S(=O)(=O)N[C@H](C)CN1CCOCC1 336921725 QZIMFMOUMLCHCI-GFCCVEGCSA-N 304.416 -0.223 30 20 DBED CCN(CCC#N)S(=O)(=O)N(C)CC(=O)N1CCOCC1 336927740 YJKMXYXIAFGTEE-UHFFFAOYSA-N 318.399 -0.743 30 20 DBED CCN(CCC#N)S(=O)(=O)N[C@@H](C)CN1CCN(C)CC1 337090811 KGXVQYKTEFKVHZ-ZDUSSCGKSA-N 317.459 -0.308 30 20 DBED CCN(CC)[C@H]1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)C1 337100814 VPPKOHHPNNERAO-STQMWFEESA-N 316.427 -0.128 30 20 DBED COC(=O)[C@@H](CO)NS(=O)(=O)Cc1cc(C#N)ccc1F 342338791 DEMOTLALZZMDRW-LLVKDONJSA-N 316.310 -0.349 30 20 DBED N#Cc1cccc(N2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)n1 351875806 JHXDKMJXVJCFNJ-STQMWFEESA-N 322.390 -0.767 30 20 DBED CCc1nc([C@@H](C)NC(=O)NCCn2cnc(C#N)n2)n[nH]1 357871702 XNFYDERNFDVBTB-MRVPVSSYSA-N 303.330 -0.109 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC[C@H](N2CCCS2(=O)=O)C1 365517086 RQOCWJMGNGQPAW-STQMWFEESA-N 313.423 -0.376 30 20 DBED C=CCNc1nnc(S(=O)(=O)Cc2n[nH]c(C)n2)s1 427164203 VHDPHXCYCUIBBK-UHFFFAOYSA-N 300.369 0.536 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@H](N)[C@H](C)C2)C1=O 429126763 IPIODLRZUBHXRQ-ZJUUUORDSA-N 308.338 -0.841 30 20 DBED N#Cc1cc(F)ccc1NC(=O)C(=O)N1C[C@H](O)C[C@H]1CO 442261737 PKPJIYXUVJTZEH-WDEREUQCSA-N 307.281 -0.410 30 20 DBED C=C(CC)CNS(=O)(=O)N1CCN(S(C)(=O)=O)CC1 452046360 VUAZEYVROMLQKJ-UHFFFAOYSA-N 311.429 -0.636 30 20 DBED C#CCNC(=O)CN1CCN([C@@H](C)C(=O)N(CC)CC)CC1 491440066 NHBHNXYGMZZRTB-AWEZNQCLSA-N 308.426 -0.390 30 20 DBED C[C@@H](O)CN(CC(F)F)S(=O)(=O)N1CCO[C@H](C#N)C1 520254186 NRJNMMCDZHWCIR-RKDXNWHRSA-N 313.326 -0.597 30 20 DBED C[C@@H](C(=O)NC1(C#N)CCC1)N(C)CC(=O)N1CCOCC1 530334313 BGSLFVAHFHHEAP-LBPRGKRZSA-N 308.382 -0.272 30 20 DBED C=CCNC(=O)CNC(=O)NCCCCN1CCN(C)CC1 537414236 GVOLERAFSLOWNI-UHFFFAOYSA-N 311.430 -0.385 30 20 DBED C=CCNC(=O)CNC(=O)N[C@H]1CCC[C@H](S(C)(=O)=O)C1 537528741 RKNNHAVXHXFZKX-QWRGUYRKSA-N 317.411 -0.056 30 20 DBED C=C(C)Cn1c(CC)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 549698070 FCWQLAYCIAHBTC-NSHDSACASA-N 318.381 -0.436 30 20 DBED CN(C)S(=O)(=O)N1CCCC[C@@H]1CNc1cc(C#N)ncn1 577317920 OZJVIRYNXIFORM-GFCCVEGCSA-N 324.410 0.421 30 20 DBED CC(C)NS(=O)(=O)NCCNC(=O)c1cccc(C#N)n1 589460912 HOCYUEUTVWOLQR-UHFFFAOYSA-N 311.367 -0.485 30 20 DBED COC(=O)[C@@H]1C[C@H](O)CN(S(=O)(=O)N(C)[C@H](C)CC#N)C1 592111820 CVOQXOOADKHBMB-MXWKQRLJSA-N 319.383 -0.679 30 20 DBED CCOC(=O)[C@@H](CO)NC[C@@H](O)COc1ccc(C#N)cc1 592430274 SHQFPGJPKYQYRX-TZMCWYRMSA-N 308.334 -0.188 30 20 DBED C[C@@H]1CN(CCNc2c(C#N)c(=O)n(C)c(=O)n2C)[C@H](C)CO1 596431732 QEOMVGBKEDECOO-GHMZBOCLSA-N 321.381 -0.523 30 20 DBED CN1CC[C@@H]2CN(C(=O)C(=O)N3CCN(CCC#N)CC3)C[C@@H]21 601532973 MZELBINBWNVYFS-KGLIPLIRSA-N 319.409 -0.793 30 20 DBED C#CCNC(=O)COC(=O)CNC(=O)Cc1ccc(O)cc1 726822708 XTZAEOFACKVWNX-UHFFFAOYSA-N 304.302 -0.657 30 20 DBED COCC#CCOC(=O)c1cnc2c(c1)c(O)nc(=O)n2C 762772454 QNLGFHYGPOJLHC-UHFFFAOYSA-N 303.274 -0.159 30 20 DBED C=CCCS(=O)(=O)NCCS(=O)(=O)N1CCOCC1 765173920 KGERKADCZLEASF-UHFFFAOYSA-N 312.413 -0.856 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N[C@@H]1CCC[C@@H]1C(=O)NC 783017509 UZMBNSYRVGZJMT-WDEREUQCSA-N 317.411 -0.199 30 20 DBED CC(=NNC(=S)NCC(N)=O)c1ccccc1-n1ccnn1 794908492 JGFAZBDMAHKLIN-UHFFFAOYSA-N 317.378 -0.059 30 20 DBED N#C[C@H]1CN(S(=O)(=O)NCc2cn3ccccc3n2)CCO1 799998860 NICFBRBQMTXMGJ-LBPRGKRZSA-N 321.362 -0.107 30 20 DBED C#CCOc1cccc(NC(=O)C(=O)NCC(=O)NCC#N)c1 807401062 IOZNSXRONCARES-UHFFFAOYSA-N 314.301 -0.607 30 20 DBED N#Cc1nc(NC(=O)[C@@H]2CCc3c[nH]nc3C2)[nH]c1-c1nn[nH]n1 822814182 BXIANOMVMVRILS-ZCFIWIBFSA-N 324.308 -0.072 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@](C)(O)CCC)CC1 831565129 NAWSQRLTBWCDFZ-CYBMUJFWSA-N 317.411 -0.851 30 20 DBED N#C[C@H]1CN(S(=O)(=O)N[C@H]2CCCC23OCCO3)CCO1 851815805 SVLJHGZSARZOLY-QWRGUYRKSA-N 317.367 -0.659 30 20 DBED COCCn1cc(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)nn1 863947239 ZSAJQJSZAPWOEF-LBPRGKRZSA-N 304.354 -0.263 30 20 DBED N#CC1(CS(=O)(=O)NC(=O)CSCC(=O)O)CCC1 863959210 XPRRFAVLWUBCLM-UHFFFAOYSA-N 306.365 -0.056 30 20 DBED COCCNC(=O)CN1CCN(c2cc(C#N)nc(C)n2)CC1 881776105 AFNZLSNTTLZQOP-UHFFFAOYSA-N 318.381 -0.459 30 20 DBED C#CCN1CCC[C@@H](NC(=O)NC[C@H]2CCS(=O)(=O)C2)C1 884048402 JWLYFKJAFBLZAQ-CHWSQXEVSA-N 313.423 -0.182 30 20 DBED C#Cc1ccc(C(=O)N2CCO[C@@H](CN(C)CC(N)=O)C2)cc1 897481577 UKKNQFLUQKUPAW-HNNXBMFYSA-N 315.373 -0.074 30 20 DBED C#CCNC(=S)N[C@H]1CCCN(CCN2CCOCC2)C1 905556437 RPLLESUXOVRXCZ-AWEZNQCLSA-N 310.467 -0.120 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1coc(C(N)=O)c1 937527324 ITPPUUILFPZGLG-MIMYLULJSA-N 316.317 -0.037 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)[C@H]3CCNC3=O)C2)[nH]1 937839305 SMHBBGNIGKSJEE-QWRGUYRKSA-N 315.333 -0.647 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](N(C)C(=O)c2cn(C)c(=O)cn2)C1 939395156 COQGRHSKYGJRMH-MNOVXSKESA-N 317.349 -0.387 30 20 DBED C#CCN1CC[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)[C@H](C)C1 942105020 GDHXQCPUFKYTFL-CHWSQXEVSA-N 318.377 -0.993 30 20 DBED C#CCN1CC[C@@H](NC(=O)Cn2ccc(O)nc2=O)[C@@H](C)C1 942313531 JFQBVHMBWCMKGV-NWDGAFQWSA-N 304.350 -0.591 30 20 DBED C[C@@H]1C[C@@H](NC(=O)c2nccnc2C(N)=O)CCN1CC#N 948016290 NVSZGDHKAAAEIZ-ZJUUUORDSA-N 302.338 -0.318 30 20 DBED CN(C(=O)[C@H]1C[C@H]1C(N)=O)C1CCN(C(=O)C#CC2CC2)CC1 954720963 RNBIOAOPZAHRDO-KGLIPLIRSA-N 317.389 -0.029 30 20 DBED C=CCn1cc(C(=O)N2CC(N(C)C(=O)c3cnn[nH]3)C2)nn1 954727603 QWSKRJMDOVMEDF-UHFFFAOYSA-N 316.325 -0.821 30 20 DBED C[C@@H](C#N)C(=O)N1CC(N(C)C(=O)[C@H]2CCCCC(=O)N2)C1 955270489 RQCOMZSAIZERMM-CMPLNLGQSA-N 306.366 -0.126 30 20 DBED C[C@@H]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)CC(N)=O 955604247 LHCLXAAWEJCXLH-KOLCDFICSA-N 317.349 -0.129 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2cnc(C)nc2OC)C1 958121802 MEQXPFGMVQUUNY-DGCLKSJQSA-N 304.350 -0.551 30 20 DBED C#CCN1C[C@H](CNC(=O)c2ccc3nnn(C)c3c2)[C@@H](O)C1 958624477 BGZBCKDUGHUDHT-WFASDCNBSA-N 313.361 -0.376 30 20 DBED C#CCN1C[C@H]2C(NC(=O)[C@H]3CCc4nnnn4CC3)[C@@H]2C1 961843823 CACSBZDKFDQQCS-QJPTWQEYSA-N 300.366 -0.695 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C[C@@H]2C1 962155916 ICKURAXJTHTEFL-PRFQISJJSA-N 303.362 -0.045 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(CC1)C[C@H]2NC(=O)Cn1ncnn1 963878299 KBPOPUUJGBAMPR-WDEREUQCSA-N 317.353 -0.670 30 20 DBED O=C(NC[C@@H]1COCCN1C(=O)C#CC1CC1)[C@@H]1COCCO1 964092871 MLXFEOWXTBFOPC-KGLIPLIRSA-N 322.361 -0.841 30 20 DBED CN1CC[C@H](N[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)C1=O 968467287 ZQPLRAWNKLWQHA-YPMHNXCESA-N 301.350 -0.079 30 20 DBED CC(C)n1ccc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)n1 970804936 GICOICQSSBLDFW-RTXFEEFZSA-N 319.365 -0.075 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)[C@]3(C)CCNC(=O)C3)[C@H]2C1 976765314 YWRJVDHWSWQAHR-XYOMKSJCSA-N 318.377 -0.365 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)c3ccc(=O)n(C)c3)[C@H]2C1 976802578 HNTKBWOMEAPKBA-PQFRYHKHSA-N 314.345 -0.268 30 20 DBED CC#CCN1C[C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C(C)(C)C1 977602623 LZUVECMOWIPJGV-VXGBXAGGSA-N 313.423 -0.472 30 20 DBED C#CCCN1CCCN(C(=O)Cn2ccc(=O)n(C)c2=O)CC1 981282649 HRPBCUDXUOXOCZ-UHFFFAOYSA-N 318.377 -0.895 30 20 DBED C#CCN[C@@H]1CCC[C@H](NC(=O)Cn2nc(C)n(C)c2=O)C1 981487068 QKJVZVJDVJAAGF-OLZOCXBDSA-N 305.382 -0.460 30 20 DBED N#Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)c3nc[nH]n3)C2)[nH]1 983114798 MLYMNZMXYDNBMO-SECBINFHSA-N 313.321 -0.103 30 20 DBED C#Cc1ccc(C(=O)N(C)C[C@@H]2CCN(C(=O)C(N)=O)C2)nc1 988286056 MKQNSQZEEXJKAJ-LBPRGKRZSA-N 314.345 -0.531 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)C[C@@H]2COC(=O)C2)C1 990834971 KCHDMQFZKGCXQM-UHTWSYAYSA-N 322.361 -0.142 30 20 DBED O=C(Cc1ccon1)N[C@@H]1CCN(C(=O)C#CC2CC2)C[C@H]1O 991343184 NYQASEUYCCJHQX-ZIAGYGMSSA-N 317.345 -0.292 30 20 DBED C#Cc1ccc(C(=O)N2CC(NC(=O)Cn3nccn3)C2)cc1 991960434 RMCJEZVFSYTZLF-UHFFFAOYSA-N 309.329 -0.100 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC(CNC(=O)c2cn[nH]c2)C1 1001033435 IZYNFUSTSLHWDK-AWEZNQCLSA-N 315.377 -0.305 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NCC1CN(C(=O)c2cnn[nH]2)C1 1002224948 XAXXIXUOZIGFJW-YPMHNXCESA-N 319.365 -0.026 30 20 DBED C=CCCn1cc(C(=O)N[C@H]2CCCN(CC(=O)NC)C2)nn1 1008815479 QSXIEYSCCWFFNT-LBPRGKRZSA-N 320.397 -0.206 30 20 DBED N#Cc1cccc(CN2CC[C@H](NC(=O)Cn3ncnn3)C2)c1 1014427250 JEASWSYHBMAXDP-AWEZNQCLSA-N 311.349 -0.065 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCN([C@@H]3CCNC3=O)C2)nn1 1015811458 GWJIZEDSCHBSSE-CMPLNLGQSA-N 304.354 -0.843 30 20 DBED C=CCN1CC[C@@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)C1 1016341194 KDBKVRWHFDUPTO-LLVKDONJSA-N 306.370 -0.644 30 20 DBED C[C@H](C#N)C(=O)N1CC=C(CNC(=O)[C@@H]2CCNC2=O)CC1 1017619317 XLGWTONZHYKXKM-ZYHUDNBSSA-N 304.350 -0.443 30 20 DBED C=C(Cl)CN[C@H]1C[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 1022108762 NZUCPZFDLNGQTC-DTORHVGOSA-N 312.761 -0.634 30 20 DBED NC(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@H]2CN(C(=O)C#CC3CC3)C[C@H]21 1022727555 HHMHAFMLZDCCRJ-RFQIPJPRSA-N 315.373 -0.420 30 20 DBED Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2O)n1C 1023051279 SHIPDNBQAZFNRJ-UFGOTCBOSA-N 304.350 -0.205 30 20 DBED Cn1cc(C(=O)N2C[C@@H]3CC[C@@H](NCC#N)[C@H]3C2)n(C)c1=O 1026429077 QZVRUPOUWSGVKN-SDDRHHMPSA-N 303.366 -0.312 30 20 DBED C#CCN1CCC(C(=O)NC2CN(Cc3ncnn3C)C2)CC1 1031436914 RCRMRZRLGUSULM-UHFFFAOYSA-N 316.409 -0.539 30 20 DBED C#CCCN1CC(CNC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 1031670006 ADMXZHYQZYUJFE-ZDUSSCGKSA-N 315.377 -0.166 30 20 DBED C#CCN1CC[C@@H](N(C)C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 1033078008 WASPNCIZUGWMNB-CHWSQXEVSA-N 315.377 -0.072 30 20 DBED CC#CCN1CCO[C@@H](CNC(=O)c2cnn(C)c2OC)C1 1035592845 KDRAMWWPOCXKBT-LBPRGKRZSA-N 306.366 -0.117 30 20 DBED C=CCN[C@H]1CCN(C(=O)Cn2nc(C)n(C)c2=O)C[C@@H]1C 1036274419 BRVHHSPOEKNZQE-AAEUAGOBSA-N 307.398 -0.097 30 20 DBED N#CCN1CC[C@H]2CN(C(=O)CN3CCCNC3=O)CC[C@@H]21 1036758798 AFBCTRIOMRMMOJ-STQMWFEESA-N 305.382 -0.152 30 20 DBED C=C(C)CCN1CC[C@@H]1CNC(=O)[C@H]1CCS(=O)(=O)N1 1039025318 XIFAFOCFXYFTEF-VXGBXAGGSA-N 301.412 -0.165 30 20 DBED C=CCCOCC(=O)NC[C@]1(O)CCN(C(=O)CCOC)C1 1040160676 HFWLKXQSJUDAOQ-OAHLLOKOSA-N 314.382 -0.305 30 20 DBED C#CCN1CCC[C@@]2(CCN(C(=O)C[C@@H]3CC(=O)NC3=O)C2)C1 1040555500 IJRBBEZVPMAVHR-SUMWQHHRSA-N 317.389 -0.013 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)C2CCN(C)CC2)C1 1040759256 GNJYBTJQEYSEAM-LRDDRELGSA-N 322.409 -0.433 30 20 DBED C[C@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)c2ccnnc2)C1 1040766735 SEBZPAJJFJAUQG-YGRLFVJLSA-N 303.322 -0.671 30 20 DBED C[C@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)Cc2cnoc2)C1 1040769939 OUQNHEOFYUMIGF-YGRLFVJLSA-N 306.322 -0.544 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2cnn(C)c2)C1 1041416594 UVAUODKXXGMSDB-NSHDSACASA-N 322.365 -0.686 30 20 DBED C=CCCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2cc[nH]n2)C1 1041604616 UGKYBZMVLCKCQY-NSHDSACASA-N 322.365 -0.306 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)CNC(=O)CCC)C1 1041780443 JWKZTFYYWNADJA-UHFFFAOYSA-N 311.382 -0.442 30 20 DBED C#CCCN1CC[C@@]2(CCN(C(=O)Cn3c(O)nnc3O)C2)C1 1041804745 CFUKVGZIXGRXDS-OAHLLOKOSA-N 319.365 -0.363 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)c2cncc(F)c2)C1 1042497962 SEIFJOWWRUBYFG-VIFPVBQESA-N 306.297 -0.317 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(O)CN(C(=O)[C@H]2CC2(F)F)C1 1042807232 QHEBZCBMYFQVRO-SKDRFNHKSA-N 318.320 -0.342 30 20 DBED COc1cc(C(=O)N2CC(O)(CNC(=O)C#CC3CC3)C2)on1 1042958012 DIMOPZGGDKWFMX-UHFFFAOYSA-N 319.317 -0.600 30 20 DBED O=C(C#CC1CC1)NCC1(O)CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 1042963386 NASURVLPYWBMTJ-MCIONIFRSA-N 318.373 -0.343 30 20 DBED C=CCCOCC(=O)N1CC(O)(CNC(=O)c2nonc2C)C1 1043720679 YHEOAJIDULAVCQ-UHFFFAOYSA-N 324.337 -0.726 30 20 DBED Cc1[nH]ccc1C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1043883114 JTFUOENXRBJSPR-NEPJUHHUSA-N 312.333 -0.036 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)[C@H]2CCO[C@@H]2C)C1 1045287329 UQNFZKPEGAQUCX-OLZOCXBDSA-N 324.377 -0.859 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 1046701467 ZOTXJFBVODPVKT-NWDGAFQWSA-N 323.393 -0.634 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C#CC2CC2)C1 1048825231 ZRFVAVXABLPFHF-QEJZJMRPSA-N 318.373 -0.532 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2nc[nH]n2)C1 1049196242 GZHMCZLEXWVUOW-QWRGUYRKSA-N 305.338 -0.748 30 20 DBED CC(=O)N1CCO[C@H](C(=O)N2C[C@@H]3CN(CC#N)C[C@@H]3C2)C1 1049197584 JFOAVGRXJIBUHQ-MJBXVCDLSA-N 306.366 -0.853 30 20 DBED N#CCN1C[C@H]2CN(C(=O)[C@@H]3CCc4nncn4C3)C[C@H]2C1 1049231941 PDHZVXBRXLTEPI-UPJWGTAASA-N 300.366 -0.246 30 20 DBED C=CCOCC(=O)N1C[C@H](C)[C@H](CNC(=O)CNC(C)=O)C1 1052213513 FUHXUQWWQLGALE-WCQYABFASA-N 311.382 -0.464 30 20 DBED C=CCCN1CC2(CC[C@@H](CNC(=O)[C@@H]3CN(C)C(=O)N3)O2)C1 1053643185 XFDFYHICUAOHGK-STQMWFEESA-N 322.409 -0.064 30 20 DBED C=CCO[C@H](C)C(=O)N1C[C@@H]2CN(C(=O)c3cnn[nH]3)C[C@@H]2C1 1055381020 PHYOAJWAHWUGBF-UTUOFQBUSA-N 319.365 -0.074 30 20 DBED CCn1cc(C(=O)NC2[C@@H]3CN(c4cncc(C#N)n4)C[C@@H]23)nn1 1056282362 KGOVSVDJGYOOCC-GHMZBOCLSA-N 324.348 -0.176 30 20 DBED CN1CC[C@H](C(=O)N2CC[C@@H](Nc3ccc(C#N)nn3)C2)C1=O 1056752844 MGOYCMREQFAVBK-NEPJUHHUSA-N 314.349 -0.161 30 20 DBED CN(c1ccc(C#N)nc1)[C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 1057017670 IPGXZPHWEBYQSP-QWHCGFSZSA-N 314.349 -0.328 30 20 DBED C=CCCOCC(=O)NCCN(CCO)C(=O)COCCC 1057142687 JAOCMFYQNYILCZ-UHFFFAOYSA-N 316.398 -0.057 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)[C@@H](C)CCOC 1057198226 SPLCHTYUZIRIOF-ZDUSSCGKSA-N 316.398 -0.201 30 20 DBED C=C(C)CCC(=O)N(CCO)CCNC(=O)CS(C)(=O)=O 1057807586 IOASKXZTLWBUFS-UHFFFAOYSA-N 320.411 -0.676 30 20 DBED C=CCOCC(=O)N1CC[C@H](CCNC(=O)CNC(C)=O)C1 1059334113 ALDMIQLQXBXTHI-ZDUSSCGKSA-N 311.382 -0.320 30 20 DBED C=CC(C)(C)C(=O)NC[C@@H]1COCCN1C(=O)c1cn(C)nn1 1061752581 HVJJWYUPXIHVRK-LLVKDONJSA-N 321.381 -0.016 30 20 DBED N#Cc1ccc(N2C[C@@H]3C[C@H]2CN3C(=O)Cn2ncnn2)cn1 1062531874 XRUJDLMAKOOANE-STQMWFEESA-N 310.321 -0.571 30 20 DBED N#Cc1nccc(N2C[C@@H]3C[C@H]2CN3C(=O)c2c[nH]c(=O)cn2)n1 1062568554 IKMJPCFWKQMWIF-UWVGGRQHSA-N 323.316 -0.465 30 20 DBED C#CCOCCC(=O)NC1(CNC(=O)[C@H]2COC(=O)N2)CCC1 1062903787 RSHCFAXIYUCLCJ-LLVKDONJSA-N 323.349 -0.710 30 20 DBED C[C@@H](CC(=O)NCC1(NC(=O)[C@H](C)C#N)CCC1)NC(N)=O 1063051509 SHNALYKLUYJOJL-ZJUUUORDSA-N 309.370 -0.252 30 20 DBED N#Cc1cnccc1N1CCO[C@H](CNC(=O)c2nc[nH]n2)C1 1063640043 XSNRBQQGGRTYLG-LLVKDONJSA-N 313.321 -0.293 30 20 DBED C#CCCCC(=O)N1CCO[C@@H](CNC(=O)c2cnn(C)n2)C1 1065095520 JLDLUJUZKATKLZ-LBPRGKRZSA-N 319.365 -0.424 30 20 DBED CN(C(=O)[C@@H]1CCOC1)[C@H]1CN(c2ccc(C#N)cn2)C[C@@H]1O 1065573192 MDBTVMALHVWCAM-RDBSUJKOSA-N 316.361 -0.002 30 20 DBED N#Cc1nccnc1N1C[C@H]2CN(C(=O)c3cnn[nH]3)C[C@H]2C1 1066084966 LPXOXZJTFPZPDU-AOOOYVTPSA-N 310.321 -0.325 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CCCN(C(=O)Cn2ncnn2)CC1 1066478997 OPVSORFARHKWEG-MNOVXSKESA-N 305.342 -0.670 30 20 DBED C[C@H]1CN(C(=O)Cc2nc[nH]n2)C[C@@H]1Nc1ccc(C#N)nn1 1067144526 KPDFSFCRWYZCGW-ONGXEEELSA-N 312.337 -0.032 30 20 DBED N#Cc1cncc(N2C[C@@H](O)[C@H](CNC(=O)c3ccccn3)C2)n1 1067642545 GHNLNQUYQKMEOG-BXUZGUMPSA-N 324.344 -0.030 30 20 DBED N#Cc1nccc(N2C[C@H](O)[C@H](CNC(=O)c3ccccn3)C2)n1 1067643448 WNRSGAYVNOFITO-YPMHNXCESA-N 324.344 -0.030 30 20 DBED N#Cc1nc(=NC[C@H]2C[C@H](NC(=O)[C@H]3COC(=O)N3)C2)cc[nH]1 1068481585 TXEJBSVCCLGFTB-OPRDCNLKSA-N 316.321 -0.815 30 20 DBED C=CCN[C@@H]1CN(C(=O)[C@H]2COCCN2C)C[C@@H]1n1ccnn1 1070180864 JSLOSJORZKACIV-HZSPNIEDSA-N 320.397 -0.864 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)CCn4cncn4)C[C@@]3(C1)O2 1070761292 PQDJKRXPCSEYOD-IIAWOOMASA-N 315.377 -0.397 30 20 DBED C=CCCC(=O)N[C@@H]1CCCN(C(=O)CN2CCOCC2=O)C1 1070891769 SATXSGKRQDFASN-CYBMUJFWSA-N 323.393 -0.081 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(=O)NCCN(C[C@@H]2CCOC2)CC1 1070948235 FDDYWSQXAOLKRK-KBPBESRZSA-N 322.409 -0.167 30 20 DBED N#CCN1CCNC(=O)CCN(C(=O)C[C@@H]2CCOC2)CC1 1070949677 RAFNTIUEQUFHNV-ZDUSSCGKSA-N 308.382 -0.413 30 20 DBED Cn1cncc1C(=O)N1CCC(=O)NCCN(CC#N)CC1 1070978783 DOBDEHUDEMXPOB-UHFFFAOYSA-N 304.354 -0.792 30 20 DBED C#CCN1CC[C@@]2(C1)CN(C(=O)C1(C(N)=O)CC1)C[C@H](C)O2 1071203900 JCDZEYBNMKTNJH-SWLSCSKDSA-N 305.378 -0.423 30 20 DBED N#CCN1CCCO[C@H](CNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1073710263 VTOLCRKMNUZQFK-LJISPDSOSA-N 323.393 -0.231 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)c2ccc(=O)n(C)n2)C1 1073880965 YGEYFZICBJWLLQ-LBPRGKRZSA-N 304.350 -0.766 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)c3ccc(O)nn3)C[C@H]21 1074159718 JLEVXQJHHUQYHY-OLZOCXBDSA-N 302.334 -0.269 30 20 DBED C=CCN1CCO[C@H]2CCN(C(=O)c3c[nH]c(=O)cn3)C[C@H]21 1074323231 BJDOCWIJXMQQBZ-OLZOCXBDSA-N 304.350 -0.129 30 20 DBED C=CCCn1cc(C(=O)N[C@@H](C)CCNC(=O)CC(N)=O)nn1 1075998740 HRVIEZROAKNBAA-JTQLQIEISA-N 322.369 -0.646 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCCN2C(=O)CC)C1 1077045066 VFNMUWYUMKMBIX-HZSPNIEDSA-N 307.394 -0.428 30 20 DBED C=CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)[C@@H]2CCNC2=O)C1 1079982877 LQZWSALWFOTOOY-DGCLKSJQSA-N 323.393 -0.227 30 20 DBED CCN(CC1CCN(C(=O)C#CC2CC2)CC1)C(=O)C(N)=O 1081082103 CFSLMWWAJYQOHZ-UHFFFAOYSA-N 305.378 -0.028 30 20 DBED C=CCCn1cc(C(=O)N2C[C@@H](O)[C@H](CNC(=O)CC)C2)nn1 1081143671 DQNJUWREZVQFKK-DGCLKSJQSA-N 321.381 -0.187 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(C(=O)c2cnsn2)C[C@@H]1O 1081469654 ZKJHGTBQSYSLMX-JQWIXIFHSA-N 320.374 -0.499 30 20 DBED C=C(C)CCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cnn[nH]2)C1 1081590894 YJIRBNWNMVLBFH-PWSUYJOCSA-N 307.354 -0.290 30 20 DBED CC(C)(C)C#CC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cnon2)C1 1081684310 DSPLYJHBUXWLJW-PWSUYJOCSA-N 320.349 -0.332 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CCCCN1C(=O)Cn1cnnn1 1081870268 SAAQJPRAONEFAV-MNOVXSKESA-N 305.342 -0.670 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)c2nnc3ccccc3n2)C1 1083646297 VYFPLEHMEOHKJB-KGLIPLIRSA-N 311.345 -0.177 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)c2cccn3c(O)nnc23)C1 1083949163 UVASUZSOAHTZJD-MNOVXSKESA-N 303.322 -0.604 30 20 DBED C=CCCN1CC[C@@H]2CN(C(=O)c3cn(CC(N)=O)nn3)[C@@H]2C1 1084852842 PYRPITNEBOWVOR-DGCLKSJQSA-N 318.381 -0.514 30 20 DBED C#CCN1CC[C@@H]2CCN(C(=O)[C@H]3COCCN3C(C)=O)C[C@@H]21 1085097404 FZMXUPQKEWMGFS-OWCLPIDISA-N 319.405 -0.210 30 20 DBED C#CCN[C@H]1C[C@H](CNC(=O)[C@H]2CCc3nnnn3CC2)C1 1086484117 JBRWYZHCABGNRT-AVGNSLFASA-N 302.382 -0.257 30 20 DBED C[C@H]1[C@@H](N=c2cc[nH]cc2C#N)CCN1C(=O)CNC(N)=O 1090193256 GUUQDXCCZNTODY-ONGXEEELSA-N 302.338 -0.555 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2nc(OC)cc(OC)n2)[C@@H](O)C1 1090363214 KXOFSORCXPQYFU-MNOVXSKESA-N 320.349 -0.708 30 20 DBED CC(C)(C)C(=O)C(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1O 1090405761 SGXDRRUWVPRWMK-GHMZBOCLSA-N 317.349 -0.371 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2nnn(C(C)C)c2C)[C@H](O)C1 1090685679 KIJSAJDNAOWVHY-CHWSQXEVSA-N 305.382 -0.034 30 20 DBED C#CCN1CC[C@H](NC(=O)c2c3c(nn2C)CCC3)[C@H](O)C1 1090724319 IKCDZCZLKVHCAY-UONOGXRCSA-N 302.378 -0.293 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)C2CCN(C(N)=O)CC2)[C@H](O)C1 1090797460 ZKQXZDBRZBOSGX-UONOGXRCSA-N 324.425 -0.095 30 20 DBED C=CCN1CC[C@@H](NC(=O)c2c(OC)ncnc2OC)[C@@H](O)C1 1090844943 UZZWBEUBALRXSL-MNOVXSKESA-N 322.365 -0.155 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(c2cnc(F)cn2)C[C@@H]1O 1091092532 JYYQTLSDGMAQRG-BFVZDQMLSA-N 310.329 -0.392 30 20 DBED C[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1CNC(=O)CNC(N)=O 1092322072 RJNKAPVSKCRXLM-GHMZBOCLSA-N 316.365 -0.190 30 20 DBED Cn1cnnc1COCC(=O)NCCNc1ncccc1C#N 1093838106 PBPONRNZEJWVFU-UHFFFAOYSA-N 315.337 -0.173 30 20 DBED Cc1nc(NCCCNC(=O)[C@H]2CNC(=O)N2)ccc1C#N 1094751126 MBBULYDZQGTWAT-LLVKDONJSA-N 302.338 -0.139 30 20 DBED N#CCN1CC(N2C[C@H](NC(=O)c3nccs3)CC2=O)C1 1094804691 ZUGGQXVIJLUBHB-SECBINFHSA-N 305.363 -0.318 30 20 DBED CCNC(=O)CC(=O)NCCCN(C)c1cnc(C#N)cn1 1095541163 IKDCPEVCOABEQM-UHFFFAOYSA-N 304.354 -0.183 30 20 DBED CCNC(=O)CCC(=O)N[C@H]1CCN(c2cnc(C#N)cn2)C1 1096333077 QASIJPDGFSFRQJ-NSHDSACASA-N 316.365 -0.041 30 20 DBED CNC(=O)NCC(=O)N[C@H]1CCN(c2ncc(C#N)cc2F)C1 1096493502 UEVHOKQRIAVCMD-JTQLQIEISA-N 320.328 -0.284 30 20 DBED N#Cc1nccnc1N[C@H](CNC(=O)Cn1ncnn1)C1CC1 1096731580 QVWATNLWKZARBH-LLVKDONJSA-N 313.325 -0.658 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CCCNC1=O)N=c1cc[nH]cc1C#N 1098120976 QUFXKIDNXBGXOC-CMPLNLGQSA-N 301.350 -0.182 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)C2=COCCC2)[C@H](O)C1 1099728399 WPOXCRTXFXEODD-UONOGXRCSA-N 323.393 -0.466 30 20 DBED Cc1nsc(N(C)CCNC(=O)CS(C)(=O)=O)c1C#N 1099977259 UPXBCGMAECXIRC-UHFFFAOYSA-N 316.408 -0.080 30 20 DBED CC(C)NC(=O)CCCC(=O)N[C@@H]1CCN(CC#N)C[C@@H]1O 1100079229 WHTZMKVZPFWBRY-OLZOCXBDSA-N 310.398 -0.244 30 20 DBED C=CCN1CC[C@H](NC(=O)CNC(=O)c2ccccn2)[C@@H](O)C1 1100124525 JHRCHOBAKOCYBI-JSGCOSHPSA-N 318.377 -0.451 30 20 DBED CN(CCNC(=O)Cn1nccn1)c1ncc(C#N)cc1F 1100164638 RJZRHVDUQIKEQT-UHFFFAOYSA-N 303.301 -0.064 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)[C@H](C)n2cncn2)C1 1100259118 XQKNQQZHCRVMHA-HIFPTAJRSA-N 318.381 -0.927 30 20 DBED C=CCOCCNC1CC(CNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 1100707622 NELVXVRAAZZCTA-MCIGGMRASA-N 324.381 -0.729 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CN(C(=O)c3cc[nH]n3)C[C@]2(C)C1 1101131552 ZFRJKNYQSFXZTL-WBMJQRKESA-N 315.377 -0.447 30 20 DBED CNC(=O)CC(=O)N1CC[C@@H](CN(C)c2nccnc2C#N)C1 1102439863 OLYLBIBEUKNGHB-NSHDSACASA-N 316.365 -0.231 30 20 DBED COC(=O)NCC(=O)N(C)[C@H]1CCN(c2nccnc2C#N)C1 1102670996 ATMKFZAFSUKKGS-JTQLQIEISA-N 318.337 -0.259 30 20 DBED CC[C@@H](CNC(=O)CCNC(N)=O)N=c1cc[nH]c(C#N)n1 1103092513 YINOQVGXPCUUNS-VIFPVBQESA-N 305.342 -0.865 30 20 DBED CC[C@H](CNC(=O)[C@]1(C)CCC(=O)N1)N=c1cc[nH]c(C#N)n1 1103297759 RXDQTCBYRJRHCK-BMIGLBTASA-N 316.365 -0.254 30 20 DBED C[C@@H](CNC(=O)[C@H]1CC(=O)N(C)C1)CNc1cnc(C#N)cn1 1104255077 VUBSZMPPTIWICC-MNOVXSKESA-N 316.365 -0.009 30 20 DBED C#CCNCC[C@@H]1CN(C(=O)CNS(=O)(=O)CC)C[C@H]1C 1104258107 UNXUKOVPTUYRPQ-CHWSQXEVSA-N 315.439 -0.367 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)[C@H]1CCC(=O)NC1 1104868142 SHLOLLHBNKBJNQ-QWRGUYRKSA-N 316.365 -0.445 30 20 DBED CO[C@@H](C(=O)N1CC(n2cc(CNCC#N)nn2)C1)C1CC1 1105223799 JNQWDBQYWMWYGL-CYBMUJFWSA-N 304.354 -0.300 30 20 DBED C#Cc1ccc(C(=O)N2CC(n3cc(CNCC#N)nn3)C2)cn1 1105362506 BDULFJUMRWKSJL-UHFFFAOYSA-N 321.344 -0.035 30 20 DBED CN(CCN(C)c1nccnc1C#N)C(=O)[C@H]1COC(=O)N1 1105393403 VEYLSLPBWZYWDF-SNVBAGLBSA-N 304.310 -0.649 30 20 DBED CN1CCC[C@@H]1C(=O)NC[C@H](O)CNc1ccc(C#N)nn1 1105756603 WZSHSCRCJQPLDI-VXGBXAGGSA-N 304.354 -0.669 30 20 DBED CCC(=O)NCC(=O)NC[C@H](O)CNc1nc(C)ccc1C#N 1105771313 IYRLRTSFZLSMEZ-LBPRGKRZSA-N 319.365 -0.323 30 20 DBED CCc1nc[nH]c1C(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1 1105922086 NJBJABZUGFADNJ-VIFPVBQESA-N 315.337 -0.742 30 20 DBED Cc1cnoc1C(=O)NC[C@@H](O)CNc1cncc(C#N)n1 1105939744 ZOLKTFAVIBDVME-JTQLQIEISA-N 302.294 -0.153 30 20 DBED COCC1(C(=O)NC[C@H](O)CN=c2cc[nH]c(C#N)n2)CC1 1106023351 TWCWHXQBEWPIJS-SNVBAGLBSA-N 305.338 -0.914 30 20 DBED C=CCNC(=O)CNC[C@@H]1CN(C(=O)[C@H](O)C(C)C)C[C@H]1C 1106077783 SXYBRUAQGWMBGM-UMVBOHGHSA-N 311.426 -0.010 30 20 DBED N#Cc1cncc(NC[C@H](O)CNC(=O)C2(F)CCOCC2)n1 1106150087 KNOBBUMHGMXWEE-NSHDSACASA-N 323.328 -0.244 30 20 DBED C[C@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)CCNC(N)=O 1106328340 KGKVMNLSLZMNSZ-SECBINFHSA-N 305.342 -0.865 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)[C@@H]1CCNC(=O)C1 1106729517 GREWEYNBWXVSMG-LLVKDONJSA-N 316.365 -0.443 30 20 DBED C#CCNC[C@@H]1CN(C(=O)[C@H](CCC(N)=O)NC(C)=O)C[C@H]1C 1106770135 UMGPWSDWMNASDB-BNOWGMLFSA-N 322.409 -0.926 30 20 DBED CCN(CCNc1ccc(C#N)nn1)C(=O)CNC(=O)NC 1106983616 ZUBFYPOYWYOBFU-UHFFFAOYSA-N 305.342 -0.462 30 20 DBED CN1CCOC[C@@H]1C(=O)NC/C=C/CNc1nccnc1C#N 1107162830 VPYBKEWKUIOYJL-YWVDXFKGSA-N 316.365 -0.237 30 20 DBED C#CCCN1CCO[C@@](C)(CNC(=O)[C@H]2CN(C)CCO2)C1 1107839085 JTTHBLKUTLFOMA-ZBFHGGJFSA-N 309.410 -0.453 30 20 DBED C#CCCN1CCO[C@](C)(CNC(=O)[C@@H](C)S(C)(=O)=O)C1 1108027133 NKZGGGUZLDLXBR-TZMCWYRMSA-N 316.423 -0.350 30 20 DBED CC(=O)N1CCC[C@H](C(=O)NC[C@]2(C)CN(CC#N)CCO2)C1 1108060043 URXIUNUSNGWQKZ-GOEBONIOSA-N 322.409 -0.024 30 20 DBED C[C@H](CN(C)c1ccnc(C#N)n1)NC(=O)c1nnn(C)n1 1109179168 MIUMZLICBAAUIG-MRVPVSSYSA-N 301.314 -0.874 30 20 DBED COC[C@H](OC)C(=O)N[C@H](C)CN(C)c1cnc(C#N)cn1 1109221757 ZGTCFLUZNFHEQL-PWSUYJOCSA-N 307.354 -0.049 30 20 DBED C[C@H](CN(C)c1nccnc1C#N)NC(=O)[C@]1(C)CCNC1=O 1109240941 WYOYPFMEKZRFJW-MEBBXXQBSA-N 316.365 -0.185 30 20 DBED CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N)N(C)C 1109445897 DTRNWUXYQGZZHY-RQJABVFESA-N 321.425 -0.312 30 20 DBED N#Cc1cnc(NC[C@H](NC(=O)[C@@H]2CCNC2=O)C2CC2)cn1 1109945195 DZUKPJMAJJHNJS-NEPJUHHUSA-N 314.349 -0.209 30 20 DBED N#Cc1cnc(NC2(CNC(=O)CNC(N)=O)CC2)c(F)c1 1110043619 YJHGGYGCKMVFPW-UHFFFAOYSA-N 306.301 -0.179 30 20 DBED Cc1cc(C#N)nc(NC[C@@H]2CCCN2C(=O)CNC(N)=O)n1 1110529828 BKLMXGOIXGYEPQ-NSHDSACASA-N 317.353 -0.272 30 20 DBED C=CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CC[C@@H]1NC(=O)NC1=O 1111376673 XKWDQSNJPLQLHK-KXNHARMFSA-N 306.366 -0.118 30 20 DBED Cn1ccc(C(=O)N(CCO)CCNc2cnc(C#N)cn2)n1 1111476574 PZVKAEDBKOPOMP-UHFFFAOYSA-N 315.337 -0.372 30 20 DBED CCNC(=O)NC(=O)[C@H](C)N1CCN(C(=O)[C@@H](C)C#N)CC1 1112711458 BNXKRWOSCLZRMU-QWRGUYRKSA-N 309.370 -0.476 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)C[C@H]2CCNC2=O)CC1 1112961014 UJCLWFLUTMPBBL-QWHCGFSZSA-N 322.409 -0.653 30 20 DBED C=CCCCN1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)CC1 1113394770 NRTZFCIISOXBCC-UHFFFAOYSA-N 320.393 -0.192 30 20 DBED C[C@@H](CNC(=O)CCn1cncn1)N(C)c1ccnc(C#N)n1 1113492921 NBCWDWWGXSUQBQ-NSHDSACASA-N 314.353 -0.029 30 20 DBED CS(=O)(=O)CCN1C[C@H]2C(NC(=O)CSCC#N)[C@@H]2C1 1113891917 ZSBVCRDJOOUJPY-NXEZZACHSA-N 317.436 -0.666 30 20 DBED C[C@H](C#N)C(=O)NC1[C@H]2CN(CC(=O)NC3CCOCC3)C[C@H]12 1114064144 MWYQNDCYBTWHMG-WXHSDQCUSA-N 320.393 -0.512 30 20 DBED C[C@@H](CN(C)C(=O)[C@@H]1CN(C)CCO1)Nc1cnc(C#N)cn1 1115664574 UBVWLRDMWKSZAR-AAEUAGOBSA-N 318.381 -0.062 30 20 DBED C=CCCN(C)C(=O)C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 1117148254 DHLFARSCUHEUNF-NSHDSACASA-N 317.411 -0.439 30 20 DBED N#CC1(NC(=O)CN2C(=O)NC3(CCOCC3)C2=O)CCC1 1117274570 DNGSZVYTQSOTIT-UHFFFAOYSA-N 306.322 -0.350 30 20 DBED CCS(=O)(=O)CCCNC(=O)N1CC[C@](O)(CC#N)C1 1118128256 ZWTVYNWTFAEIHO-GFCCVEGCSA-N 303.384 -0.129 30 20 DBED C#CC1CCN(C(=O)C(=O)NC[C@H]2CC(=O)N(C3CC3)C2)CC1 1118153894 XTZSXOOKSUDHMU-CYBMUJFWSA-N 317.389 -0.015 30 20 DBED C[C@@H](CN(C)C(=O)C1CS(=O)(=O)C1)N=c1cc[nH]cc1C#N 1120124771 XCVTVLKHVJBQBG-JTQLQIEISA-N 322.390 -0.321 30 20 DBED C[C@H](CN(C)C(=O)[C@@]1(C)CNC(=O)C1)N=c1cc[nH]c(C#N)n1 1120361031 SSVKVLFMFCVSRA-MEBBXXQBSA-N 316.365 -0.445 30 20 DBED N#Cc1nc(=N[C@@H](CO)CNC(=O)c2cscn2)cc[nH]1 1121324492 NKUFSFWOEATLCS-MRVPVSSYSA-N 304.335 -0.571 30 20 DBED Cn1cc(C(=O)NC[C@@H](CO)Nc2ccc(C#N)cn2)nn1 1121433608 XTZULUHXLPENQG-JTQLQIEISA-N 301.310 -0.715 30 20 DBED N#Cc1cncc(N[C@H](CO)CNC(=O)C23CCN(CC2)C3)n1 1121805538 CHYZNIOCZZUGQX-LBPRGKRZSA-N 316.365 -0.667 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)C(=O)NCC2CC2)nc1 1121926832 GFHQQSQNRQQOBO-GFCCVEGCSA-N 317.349 -0.632 30 20 DBED C#CCC1(C(=O)NC[C@H](CO)N=c2cc[nH]c(C#N)n2)CCC1 1122133425 LQCDDNKDRINCRF-GFCCVEGCSA-N 313.361 -0.147 30 20 DBED C[C@@H](CC(N)=O)C(=O)NC[C@@H](CO)Nc1ccc(C#N)nc1 1122354885 KCQZBRGHSTXWHM-CABZTGNLSA-N 305.338 -0.646 30 20 DBED Cc1c[nH]c(C(=O)NC[C@@H](CO)Nc2nccnc2C#N)n1 1122688085 OXMLRWNRDMIWND-VIFPVBQESA-N 301.310 -0.417 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)c1cc(C)no1 1123441341 YPEUYUMELBDHTF-JTQLQIEISA-N 323.353 -0.297 30 20 DBED CC(=O)N(C)CC(=O)N(C)C[C@H](O)CNc1nccnc1C#N 1124111532 JFOSEQHPFUCUBL-LLVKDONJSA-N 320.353 -0.942 30 20 DBED CN(C[C@@H](O)CNc1ncccc1C#N)C(=O)c1cnn(C)n1 1124415019 PRNOAWZDURYYDW-NSHDSACASA-N 315.337 -0.373 30 20 DBED COC[C@H](C)C(=O)N(C)C[C@@H](O)CN(C)c1ccnc(C#N)n1 1124989646 YVGNJIOBAXTMNP-RYUDHWBXSA-N 321.381 -0.114 30 20 DBED N#Cc1c[nH]c(C(=O)NCCNCC(=O)NC(=O)NC2CC2)c1 1125391135 URAXKWJPODBGJM-UHFFFAOYSA-N 318.337 -0.806 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCNCC(=O)NC1CCOCC1 1126361239 YCIKHSNECIFRIC-OAHLLOKOSA-N 313.398 -0.686 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@H]1CC(=O)N(C(C)C)C1 1128640781 YUOCERHINNYSOR-LBPRGKRZSA-N 310.398 -0.749 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1cnc2ccccn12 1130597065 IKKGKEJYXNETTQ-LBPRGKRZSA-N 313.361 -0.208 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@]12CCC[C@H]1OCC2 1131223291 AGYPUEVYKLNDFP-IOASZLSFSA-N 307.394 -0.211 30 20 DBED C=C(C)CN(CC)C(=O)CN1C[C@H](NC(=O)C(N)=O)CC[C@H]1C 1132253440 UFMBBOCMBCYIMX-CHWSQXEVSA-N 324.425 -0.135 30 20 DBED C=CC(C)(C)C(=O)NCCNCC(=O)NCC(=O)N1CCCC1 1132398705 LLHJIEZSELNLEV-UHFFFAOYSA-N 324.425 -0.357 30 20 DBED C=CCn1cc(C(=O)NCCNCC(=O)N[C@@H](C)C2CC2)nn1 1134973547 WOTHNLDLSCAFGL-NSHDSACASA-N 320.397 -0.302 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)C1(CN(C)C)CC1 1135299087 UEQRBHIWWOSDQA-KBPBESRZSA-N 322.453 -0.050 30 20 DBED COC1CC(C(=O)N2CC3(CCN(CC(=O)NCC#N)C3)C2)C1 1147754119 AYORBCOIEXIBCV-UHFFFAOYSA-N 320.393 -0.415 30 20 DBED COCC#CCN1CCC2(C1)CN(C(=O)c1cnnc(O)c1)C2 1147754122 BCHQPBHQDVXQAG-UHFFFAOYSA-N 316.361 -0.020 30 20 DBED Cc1ccn(CC(=O)NC[C@@H]2CN(CC#N)CCCO2)c(=O)c1 1150387231 WVFZJUQZFLNKPF-CQSZACIVSA-N 318.377 -0.113 30 20 DBED C#CCNC(=O)CNCCNC(=O)CCc1c(C)noc1C 1150620194 PZCBBAUMXDFBTA-UHFFFAOYSA-N 306.366 -0.321 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1ccc(N(C)C)cn1 1152822039 GXTXHQGBSKEOIF-GFCCVEGCSA-N 317.393 -0.395 30 20 DBED C=CCNC(=O)NC(=O)CNCCCNC(=O)c1cc(C)no1 1154554981 OZQBTJJHRRSCNQ-UHFFFAOYSA-N 323.353 -0.296 30 20 DBED C=CCOCC(=O)NCCCN[C@@H](C)C(=O)NC(=O)NCC 1155725359 OMNVUHNMMYMSLE-NSHDSACASA-N 314.386 -0.481 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)[C@@H]1CCN(C)[C@@H]1C 1158380094 MFENCUCVYXAPKF-BFHYXJOUSA-N 308.426 -0.440 30 20 DBED N#CCNC(=O)CN1CC=C(CCNC(=O)[C@@H]2CCCO2)CC1 1159177213 MRYWHZNAAQZLOO-AWEZNQCLSA-N 320.393 -0.056 30 20 DBED N#CCNC(=O)CNCCCNC(=O)[C@H]1CCc2nccn2C1 1161301893 ZTKMNDUQGMZCQC-LBPRGKRZSA-N 318.381 -0.819 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)CCc1nc(C)no1 1163639134 UOIRUJBOBXAEOF-LLVKDONJSA-N 321.381 -0.456 30 20 DBED C=CCCn1cc(C(=O)NCCCNCC(=O)NCC#N)nn1 1167992122 SBXMHNBFXARYNG-UHFFFAOYSA-N 319.369 -0.797 30 20 DBED CC1CCN(CC(=O)NCCCNCC(=O)NCC#N)CC1 1169128050 ZJOTZICVXOELAK-UHFFFAOYSA-N 309.414 -0.546 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@@H](C)N1CCCCC1=O 1176850456 JHTKBSMSTMWHRV-CYBMUJFWSA-N 324.425 -0.215 30 20 DBED CC#CCN[C@H]1CCN(C(=O)CCS(=O)(=O)NC)[C@H]1C 1178703651 BAWIXHMOTFVHLP-RYUDHWBXSA-N 301.412 -0.472 30 20 DBED C#CCN[C@H]1CCN(C(=O)CCNC(=O)c2cnccn2)[C@H]1C 1180163693 MIHGLCCWZMFWPR-STQMWFEESA-N 315.377 -0.191 30 20 DBED C=CCCN[C@H]1CCN(C(=O)CNC(=O)Cn2cncn2)[C@H]1C 1180208230 SIUOCEXAWXCIHU-STQMWFEESA-N 320.397 -0.451 30 20 DBED N#CCNCCCCCCNC(=O)CNC(=O)Cn1cncn1 1180357205 OUDIDRZXDWSPNB-UHFFFAOYSA-N 321.385 -0.816 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)[C@]2(C)CCC(=O)N2)C1 1185476872 DYFQSDRKPROSPB-OZVIIMIRSA-N 322.409 -0.464 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2ccn(C)n2)C1 1187834315 AKRHPZGRYAGBTB-VXGBXAGGSA-N 305.382 -0.085 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)COCC2CC2)C1 1189060225 YHGRUSZIAWYKAO-AWEZNQCLSA-N 307.394 -0.305 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@H]1CCN(C(=O)CNC(=O)OC)C1 1189104512 KCFKIZYXKVUQJJ-NEPJUHHUSA-N 324.381 -0.987 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)COCCOC)C1 1189400083 HADAXUYTFKHGPD-ZDUSSCGKSA-N 313.398 -0.516 30 20 DBED COCC#CCN1C[C@@H]2CCN(C(=O)c3cnn(C)n3)[C@@H]2C1 1189415031 ZPPTVXNYWCNLCB-GXTWGEPZSA-N 303.366 -0.389 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 1192248792 LDGFTSJCCLQVCT-ZIAGYGMSSA-N 304.350 -0.136 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)CC[C@@H](C)OC)C1 1192339979 UDBSRIWLGGPYFP-JHJVBQTASA-N 313.398 -0.735 30 20 DBED C[C@@H]1CC[C@H](C(=O)N2CC[C@@H](N(C)CC(=O)NCC#N)C2)O1 1192446362 ZJVOAWMQQWSRRO-JHJVBQTASA-N 308.382 -0.274 30 20 DBED Cc1ccnn1CC(=O)N1CC[C@@H](N(C)CC(=O)NCC#N)C1 1192586872 WLWZOYWERKMXKN-CYBMUJFWSA-N 318.381 -0.636 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H](CC2CCC2)NC(C)=O)C1 1195587457 KFJRHEYSCIJPTL-BZUAXINKSA-N 321.421 -0.134 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCCN(C(=O)c2cnn(C)n2)CC1 1197436102 WOFLYAQQIZBYCO-GFCCVEGCSA-N 318.381 -0.899 30 20 DBED Cc1nccn1CC(=O)N1CCCN(CC(=O)NCC#N)CC1 1198105266 DKMLXFILKTXNJX-UHFFFAOYSA-N 318.381 -0.634 30 20 DBED C#CCN[C@@H](CNC(=O)Cn1ncnn1)c1ccccc1OC 1198733255 ZZJYOKJXLVIHJD-ZDUSSCGKSA-N 314.349 -0.238 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)CCCN2CCCC2)C1 1199023918 UGEWLBKTZAWCTG-HZPDHXFCSA-N 323.437 -0.327 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)C[C@H](C)NC(=O)C2CCCC2)C1 1199489675 LOKAITNTKLNNNS-NWANDNLSSA-N 321.421 -0.134 30 20 DBED CC#CCNC[C@H]1CN(C(=O)c2ccc(C(N)=O)[nH]2)CCCO1 1201419175 FAVQHYXITKDFMU-LBPRGKRZSA-N 318.377 -0.042 30 20 DBED C#CCNC[C@H]1CN(C(=O)C(C)(C)NC(=O)NCC)CCCO1 1201558428 ORKIWUNIWCATNX-ZDUSSCGKSA-N 324.425 -0.076 30 20 DBED N#CCNC[C@@H]1CN(C(=O)c2nc3ncccn3n2)CCCO1 1201695070 JXWWGHCJKXNYIE-LLVKDONJSA-N 315.337 -0.531 30 20 DBED COCC#CCNCC1CCN(C(=O)[C@@H]2COCCN2C)CC1 1205020607 MZAUWQNBPRUTAX-INIZCTEOSA-N 323.437 -0.205 30 20 DBED C#CCOCCC(=O)N1CCC[C@@H](N[C@@H]2CCCNC2=O)C1 1208032558 SRIQBAYEMPTVBK-ZIAGYGMSSA-N 307.394 -0.115 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)CN2CCC[C@H]2C)C1 1209630665 AUWOQZLKXAQJCA-HUUCEWRRSA-N 320.437 -0.199 30 20 DBED C#CCCN[C@H]1CCCN(C(=O)COCc2nncn2C)C1 1210416081 BDEXWKMIAQGZDG-ZDUSSCGKSA-N 305.382 -0.064 30 20 DBED CC#CCN1C[C@@H](NC(=O)CC[C@@H]2NC(=O)NC2=O)[C@H](C)C1 1210884093 UYVBBRLTMKBNNQ-GRYCIOLGSA-N 306.366 -0.566 30 20 DBED C=CCCN[C@H]1CCCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 1211112414 IOFLNFOUHNZLFW-RYUDHWBXSA-N 301.412 -0.165 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1C 1211420575 LAGRHDHMRHHDMZ-GHMZBOCLSA-N 312.370 -0.790 30 20 DBED C=CCCC(=O)N[C@@H]1CN([C@@H]2CCC(=O)NC2=O)C[C@H]1OC 1212022303 KSWBXTREEDWWLI-IJLUTSLNSA-N 309.366 -0.427 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)c2ncc[nH]2)[C@H](OC)C1 1212218818 LOOKSWMZHXKJHV-GHMZBOCLSA-N 307.354 -0.859 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(CC(=O)NCC=C)C[C@H]1OC 1212260497 CNTCJMVRSSSPGP-ZIAGYGMSSA-N 323.393 -0.856 30 20 DBED C=CCOCC(=O)N1CCO[C@@H]2CN(Cc3cnon3)C[C@@H]21 1217537983 MJONCMLZHFDXSD-QWHCGFSZSA-N 308.338 -0.316 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)C2(C(=O)NC)CCC2)C1 1220823854 GCTGAUAQNKLMQE-MNOVXSKESA-N 315.801 -0.184 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@@H](NC(C)=O)[C@@H](C)CC)C1 1221035978 ZKWAYHRLGSEZLB-ATGSNQNLSA-N 309.410 -0.278 30 20 DBED N#CCNC(=O)CN1CC[C@@H]2CN(C(=O)C[C@H]3CCOC3)[C@@H]2C1 1221458749 RJQLODAUBKJBBF-MGPQQGTHSA-N 320.393 -0.415 30 20 DBED C=C[C@@](C)(O)CC(=O)N1C[C@H]2CCN(CC(=O)N(C)C)C[C@H]21 1221518203 WPKBDKKIMGIORU-XJKCOSOUSA-N 309.410 -0.066 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cnon1 1229224392 YPIWHHPRPQBZKR-NXEZZACHSA-N 306.326 -0.660 30 20 DBED Cc1cnoc1C(=O)NC1CCN(CC(=O)NCC#N)CC1 1229887590 XBTIYIFGZQOOMW-UHFFFAOYSA-N 305.338 -0.183 30 20 DBED C=CCN1CCC(NC(=O)C(=O)N2CC[C@@H]([C@H](C)O)C2)CC1 1256780205 SGVYSHIIJSEVGK-QWHCGFSZSA-N 309.410 -0.018 30 20 DBED Cc1noc(C2CCN(C(=O)NCC(=O)NCC#N)CC2)n1 1261100590 VXTAFDWUDUTRJL-UHFFFAOYSA-N 306.326 -0.093 30 20 DBED CON1CCC(N(C)C(=O)C(=O)N2CC[C@](O)(CC#N)C2)CC1 1261487548 WQRIDFOATQMPGF-OAHLLOKOSA-N 324.381 -0.652 30 20 DBED CC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)N1CCO[C@H](C#N)C1 1261809977 PDGGUCJUTXKJBT-QWHCGFSZSA-N 322.365 -0.745 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@H](NC(=O)c2c[nH]nc2C)C1 1266334013 YOKPQSVFEMHVFW-NEPJUHHUSA-N 303.366 -0.340 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)NCc2cn3ccccc3n2)CCO1 1321582367 MJEBMAQARXDBNC-GFCCVEGCSA-N 313.317 -0.299 30 20 DBED N#CCCCS(=O)(=O)N1CCC[C@@H](CS(N)(=O)=O)C1 1322625079 BZRXNKMPRUCMNE-SNVBAGLBSA-N 309.413 -0.380 30 20 DBED CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)C(=O)NCCCC#N)O1 1323987693 KWZTYVKIVNERBO-WDEREUQCSA-N 310.354 -0.842 30 20 DBED C=CC[C@@H](CC)NC(=O)C(=O)N1CC[C@H](S(N)(=O)=O)C1 1324711913 YJSNIMCKCPUUFM-ZJUUUORDSA-N 303.384 -0.653 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)CCO1 1326934220 NSGDRIHGMDLRSV-RDBSUJKOSA-N 320.393 -0.130 30 20 DBED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1cc(C)n(CCC#N)n1 1327029946 PRPCUQUNCHADDR-GFCCVEGCSA-N 317.349 -0.066 30 20 DBED C=CCN(C(=O)C(=O)N1CCCO[C@@H](CN)C1)[C@@H](C)COC 1327942369 YWHJNQUQFNLSFI-STQMWFEESA-N 313.398 -0.388 30 20 DBED C#CCSCCNC(=O)C(=O)N(C)C[C@@H]1COCCO1 1328020523 BHOUMOQGNYLBJO-LLVKDONJSA-N 300.380 -0.657 30 20 DBED N#C[C@H]1CC[C@@H](NC(=O)C(=O)N2CC[C@@H](N3CCOC3=O)C2)C1 1328524185 FBVVJEHYYJKROF-QJPTWQEYSA-N 320.349 -0.152 30 20 DBED C[C@@H]1CCCN(C(=O)C(=O)N2CCO[C@@H](C#N)C2)[C@H]1CCO 1329754162 FUWZFQXDSSQOLV-AGIUHOORSA-N 309.366 -0.253 30 20 DBED N#CCCN1CCN(C(=O)C(=O)N2CC([C@@H]3CCOC3)C2)CC1 1329858982 IZEQYFNKQXLMDT-CYBMUJFWSA-N 320.393 -0.461 30 20 DBED CCC(O)(CC)CN(C)C(=O)C(=O)N1CC[C@](O)(CC#N)C1 1329859702 XAPKBWFAZLKGER-OAHLLOKOSA-N 311.382 -0.127 30 20 DBED C#CCN(CC1CC1)C(=O)C(=O)c1cc(S(N)(=O)=O)cn1C 1334374017 QAZYRMHHTANRHG-UHFFFAOYSA-N 323.374 -0.273 30 20 DBED C=CCn1c([C@H](C)CO)nnc1N1CCO[C@@H](C(=O)OC)C1 1339774139 JYLXOYDRVCODFR-GHMZBOCLSA-N 310.354 -0.062 30 20 DBED N#C[C@@H](C(=O)[C@@H]1CC1(F)F)C(=O)N1CCS(=O)(=O)CC1 1347038677 JTUQPDIXTNTRJV-YUMQZZPRSA-N 306.290 -0.393 30 20 DBED COC(=O)NC1CN(C(=O)C(=O)NCC2CCC(C#N)CC2)C1 1347578010 BHDOZDKVOHEPCK-UHFFFAOYSA-N 322.365 -0.001 30 20 DBED C#CCNC(=O)C1CCN(C(=O)CN2C(=O)CCC2=O)CC1 1347718392 XQUKGYYWPQLSMN-UHFFFAOYSA-N 305.334 -0.877 30 20 DBED C#CCN1CCC(C(=O)N2CC(OC)(c3cnnn3C)C2)CC1 1352725783 MIJOXJVYETUFSE-UHFFFAOYSA-N 317.393 -0.156 30 20 DBED N#CC[C@@H]1CCCN(C(=O)C(=O)N2CC(N3CCCC3=O)C2)C1 1353097963 HYTBQQKVAAFIGF-LBPRGKRZSA-N 318.377 -0.028 30 20 DBED N#CCSCc1nc(-c2cn(CCO)c(=O)nc2O)no1 1353964598 NHPSZTHFUIAXNJ-UHFFFAOYSA-N 309.307 -0.252 30 20 DBED C[C@@H]1CC(=O)NN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1362057403 NSMHWNVEMFQZQR-SECBINFHSA-N 322.346 -0.511 30 20 DBED N#Cc1ccc(S(=O)(=O)NCC(=O)NC2CC(=O)C2)cc1 1363049459 QWXLGQURXWJLQY-UHFFFAOYSA-N 307.331 -0.316 30 20 DBED N#Cc1cccc(OCCN2C[C@H](C(N)=O)[C@@H](C(N)=O)C2)c1 1363302605 JNTNKGBJMYONGY-STQMWFEESA-N 302.334 -0.544 30 20 DBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1C[C@@H](CO)C1 1364468836 NVBVEIPNSRIUGK-AOOOYVTPSA-N 323.374 -0.388 30 20 DBED C[C@H](CNC(=O)c1ccc(C#N)[nH]1)NC(=O)[C@@H]1CCC(=O)N1C 1372854042 QQXSGZAYGGGNKJ-SKDRFNHKSA-N 317.349 -0.258 30 20 DBED C[C@@H](CN(C)C(=O)c1cc(C#N)c[nH]1)NC(=O)Cn1cnnn1 1395553616 MDYHOXODMCDWLC-VIFPVBQESA-N 316.325 -0.850 30 20 DBED CC[C@@H](CNC(=O)CNC(=O)NC)NC(=O)c1ccc(C#N)[nH]1 1398979081 HIXSGHRWUKESDW-VIFPVBQESA-N 320.353 -0.560 30 20 DBED C[C@H](C#N)C(=O)NCC1CN(C(=O)[C@@H](NC(N)=O)C(C)(C)C)C1 1409175709 HPLCGOHYHMBMPO-MWLCHTKSSA-N 323.397 -0.196 30 20 DBED C[C@](CO)(NC(=O)CCn1cc(C#N)c(O)nc1=O)C1CC1 1411911858 SYXAZTVLYKRPLX-CQSZACIVSA-N 306.322 -0.512 30 20 DBED C[C@@H](O)[C@H](NC(=O)C1CCCC1)C(=O)N1CC(O)(CC#N)C1 1412030065 ICJGCRDKXXUNBZ-PWSUYJOCSA-N 309.366 -0.471 30 20 DBED C[C@@H](C#N)C(=O)NCCN1CCN(C(=O)c2ccncn2)CC1 1414756514 JZMWVRCDMFYZDD-LBPRGKRZSA-N 316.365 -0.490 30 20 DBED CN(Cc1nnc2n1CCNC2=O)C(=O)c1ccc(C#N)cn1 1419625984 VYWBGHOAFPBMIH-UHFFFAOYSA-N 311.305 -0.440 30 20 DBED C[C@H](CNCc1nnnn1C)CNC(=O)c1cc(C#N)c[nH]1 1421674313 ODDPMBQNOOGRJM-SECBINFHSA-N 302.342 -0.434 30 20 DBED C[C@H](CN(C)C(=O)c1cccc(C(N)=O)n1)NC(=O)[C@H](C)C#N 1425125681 YABPJJBTNHYKLA-NXEZZACHSA-N 317.349 -0.083 30 20 DBED CC(=O)NCC(=O)N(CCO)C1CCN(C(=O)[C@@H](C)C#N)CC1 1429271313 XOKVILKRCIROQT-NSHDSACASA-N 324.381 -0.906 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CCN(C)C(=O)C2)C1 1430183656 RZHONUKVFNFFGG-USZNOCQGSA-N 306.366 -0.222 30 20 DBED CC(C)S(=O)(=O)CC(=O)NC[C@@H](C)NC(=O)[C@H](C)C#N 1430552096 XTLHIOUNEOPKEQ-NXEZZACHSA-N 303.384 -0.410 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)CCS(C)(=O)=O)CC1 1432294249 KVCYURCGHUFUFJ-VIFPVBQESA-N 301.368 -0.654 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(N(CCO)C(=O)c2cn[nH]c2)CC1 1446197684 YMIQFIIUVSLRLF-NSHDSACASA-N 319.365 -0.005 30 20 DBED CC(=O)NCC(=O)N1CCC[C@@H](CN(C)C(=O)[C@@H](C)C#N)C1 1447267619 OFOXUVAYQPNKGY-AAEUAGOBSA-N 308.382 -0.021 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CCN(C(=O)CCN2CCOCC2)C1 1454875812 LFXNCHSEZUGKNC-KBPBESRZSA-N 322.409 -0.167 30 20 DBED CC#CCN1CC[C@H](NC(=O)CN(C)CC(=O)NC(C)C)C1 1479958604 VVFLECSPDMABFI-AWEZNQCLSA-N 308.426 -0.343 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C)C(=O)c1cnc(N(C)C)cn1 1496498606 BVTMDUFYFQHCQY-JTQLQIEISA-N 304.354 -0.110 30 20 DBED C[C@H](C#N)C(=O)N(C)C[C@@H]1CCN(C(=O)Cn2cncn2)C1 1497939811 XICBYBKLXQUSMC-NEPJUHHUSA-N 304.354 -0.255 30 20 DBED N#C[C@H](C(=O)Nc1ccccn1)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 1515209114 ARQHWCIQJUMDRN-AEJSXWLSSA-N 302.290 -0.238 30 20 DBED Cc1nc2n(n1)C[C@@H](Nc1cnc(-c3nn[nH]n3)c(C#N)n1)CC2 1581532332 FBUVLQZTIKWYDL-QMMMGPOBSA-N 323.324 -0.145 30 20 DBED N#Cc1nc(NC(=O)c2ccnc3ccnn23)[nH]c1-c1nn[nH]n1 1581860683 NHSBUGFRAAJZGM-UHFFFAOYSA-N 321.264 -0.244 30 20 DBED CN1CC[C@@H](C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[nH]2)CC1=O 1591178256 IANQJSGCRBMADH-ZCFIWIBFSA-N 315.297 -0.732 30 20 DBED Cc1onc(CC(=O)NCCn2cc(C(=O)O)nn2)c1C#N 1608058977 SLQQOGADABOKAA-UHFFFAOYSA-N 304.266 -0.497 30 20 DBED N#Cc1ccccc1S(=O)(=O)N1CCCNC[C@@H]1C(=O)O 1608219058 HRUGCCGVFIHZQN-LLVKDONJSA-N 309.347 -0.005 30 20 DBED N#CC[C@]1(O)CCN(C(=O)N[C@H]2CCCS(=O)(=O)C2)C1 1645862179 WAFFMJMKHHCPMX-JQWIXIFHSA-N 301.368 -0.376 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)c2ccc(O)nc2)C1 1713088384 JVAIHLFJZQHAJI-GFCCVEGCSA-N 302.334 -0.659 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@H]1CCCN1C(=O)CNC(=O)OC 1723888638 XUOHLEOYNGPOEF-NWDGAFQWSA-N 324.381 -0.939 30 20 DBED Cc1ncc(C(=O)N[C@H]2C[C@@H](NCC(=O)NCC#N)C2)s1 1752714141 FUPXCTPOYHIOIB-AOOOYVTPSA-N 307.379 -0.058 30 20 DBED C#Cc1ccc(C(=O)NC[C@H](C)NCCNS(C)(=O)=O)cn1 1752913735 LQNBEUFNBAXPOV-NSHDSACASA-N 324.406 -0.680 30 20 DBED CCn1nc(C)c(C(=O)N(C)CCNCC(=O)NCC#N)c1C 1753243234 NLBGIOLQDZRHGX-UHFFFAOYSA-N 320.397 -0.179 30 20 DBED COCC#CCN1CC(CNC(=O)[C@@H]2CCCCN2C(N)=O)C1 1753413782 PDKJUUZYGIXXPW-AWEZNQCLSA-N 322.409 -0.383 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)CN1CCCC1 1753427256 FGEBGUOBUAYXAA-KKUMJFAQSA-N 318.421 -0.495 30 20 DBED CCOCCC(=O)N(CC)[C@@H]1CCN(CC(=O)NCC#N)C1 1753453110 LCMWOYXPUHXBPL-CYBMUJFWSA-N 310.398 -0.024 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H](CC)CNC(=O)C1=CCOCC1 1753474034 XGIIAJDQNKYUCQ-TZMCWYRMSA-N 307.394 -0.045 30 20 DBED C#CCN1CCC(C(=O)NC[C@@H](CC)N[C@@H](C)C(=O)NC)CC1 1753497796 QRKMXODZUHUWIZ-DZGCQCFKSA-N 322.453 -0.050 30 20 DBED C=CCN1CC[C@H](NC[C@H](C)NC(=O)Cn2cccn2)C1=O 1754262835 NJLQBNXKFASLOG-STQMWFEESA-N 305.382 -0.236 30 20 DBED C#CCNC(=O)CNC1(CNC(=O)CN2[C@H](C)CC[C@H]2C)CC1 1754535235 DINVBAPLZSYQOJ-ZIAGYGMSSA-N 320.437 -0.153 30 20 DBED C=CCN1CCC(C)(NC(=O)CN2C(=O)C(=O)N(C)C2=O)CC1 1754631240 UWSQDMWZGJVAJF-UHFFFAOYSA-N 322.365 -0.436 30 20 DBED C#CCN(C(=O)[C@H]1CN(C)C(=O)N1)C1CCN(C[C@H](C)O)CC1 1754639854 YDPWMKCZNFNFAG-GXTWGEPZSA-N 322.409 -0.683 30 20 DBED C=CCCCN1CC[C@@](O)(CNC(=O)C2CC(=O)NC(=O)C2)C1 1754761386 XNTLNOHZFHNGNV-MRXNPFEDSA-N 323.393 -0.442 30 20 DBED C[C@@H](NCC#N)[C@H]1CCN(C(=O)CCN2C(=O)CCC2=O)C1 1754800362 HZOICUGOTIOBPJ-NEPJUHHUSA-N 306.366 -0.124 30 20 DBED C=C(C)CNCCN(CCO)C(=O)[C@@H]1Cc2cncn2C(=O)N1 1754888091 HVJZPRGWCYEFFQ-ZDUSSCGKSA-N 321.381 -0.648 30 20 DBED C=CCCCN1CC(N2CCN(C(=O)Cn3cnnn3)CC2)C1 1755144520 IDDMZTWYBSTUMV-UHFFFAOYSA-N 319.413 -0.532 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H](CO)CNC(=O)c1ccc(F)nc1 1755622884 OYWJIEBGFPWSPD-JQWIXIFHSA-N 322.340 -0.961 30 20 DBED C=CCN1CC[C@H](N[C@H](CO)CNC(=O)c2ccns2)C1=O 1755630733 QFDFQICLOLZZLD-QWRGUYRKSA-N 324.406 -0.390 30 20 DBED C#CCNC[C@H](O)CN(C)C(=O)c1cccc(C(=O)NC)n1 1755794314 VSIGJEYGTBZTLR-NSHDSACASA-N 304.350 -0.903 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H](O)CN(C)C(=O)c1ccnnc1 1756680449 LIBRVQBNRWCQQJ-YPMHNXCESA-N 320.349 -0.936 30 20 DBED C#CCOCCC(=O)N1C[C@H](O)[C@H](NC(=O)C2CC3(CC3)C2)C1 1757209107 KCNQTDPBOVXIDO-KGLIPLIRSA-N 320.389 -0.096 30 20 DBED C[C@](O)(CNS(=O)(=O)c1ccc(C#N)c(F)c1)C(=O)O 1776462144 IOMCKLRPCGXJHK-NSHDSACASA-N 302.283 -0.189 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)C1CCN(C)CC1)CCO2 1783046795 VOCJXDNMLZLTKY-QGZVFWFLSA-N 319.405 -0.209 30 20 DBED CC[C@H](C)[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC#N)C2 1793395973 GWUDTASNCMSYAV-ZZVJUGKHSA-N 323.393 -0.103 30 20 DBED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)CN)C3)C2)C1 1829667033 QYHJXDPXGWNXEC-INIZCTEOSA-N 323.393 -0.632 30 20 DBED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)O)C2)C1 1840844405 UOWSCQRJJBROMS-CZUORRHYSA-N 324.377 -0.763 30 20 DBED C#CC(=O)N1CC2(CCCN2C(=O)[C@@H](C)CS(C)(=O)=O)C1 1841619229 GOCXYNVNHSZNLC-NSHDSACASA-N 312.391 -0.496 30 20 DBED C#CC(=O)N1CCCC12CN(C(=O)c1nccnc1OC)C2 1845958447 HVOHDZBZKHXDIU-UHFFFAOYSA-N 300.318 -0.065 30 20 DBED COC(=O)CN(C)CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 180492653 QDMSPSWLNKWJIJ-ZDUSSCGKSA-N 310.398 -0.216 30 20 DBED C=CCN(CC(=O)N1CCO[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 246264505 OYJNLINMBUMFOE-STQMWFEESA-N 316.423 -0.091 30 20 DBED CNC(=O)NCC(=O)N1CCN(c2ccc(C#N)cn2)CC1 270527863 SVYHOTMSTOZOOI-UHFFFAOYSA-N 302.338 -0.469 30 20 DBED N#Cc1ncn(CCNC(=O)N2CC(=O)N[C@@H]3CCCC[C@@H]32)n1 288007050 XXQXQANNWXWRPD-MNOVXSKESA-N 317.353 -0.398 30 20 DBED CN(C)CCN(C)CCCNc1c(C#N)c(=O)n(C)c(=O)n1C 288868858 LDSHVDCASFVBDQ-UHFFFAOYSA-N 322.413 -0.749 30 20 DBED N/C(=N/CC(=O)Nc1cccnc1)NCCCN1CCOCC1 303987465 VLQAAWSJXIPFKY-UHFFFAOYSA-N 320.397 -0.353 30 20 DBED C[C@H]1C(O)=NCCN1/C(O)=N/CCC(=O)N1CCN(C)CC1 329135918 CLEFQWUBKKQQOO-NSHDSACASA-N 311.386 -0.275 30 20 DBED Cn1c(O)ncc(/C(O)=N/C[C@@H]2CCCCS2(=O)=O)c1=O 329493795 CXJFNEXUHIKLAT-QMMMGPOBSA-N 315.351 -0.242 30 20 DBED C/N=C(/O)C1CN(C(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)C1 329878874 LLLSMCRRWDOYEB-SNVBAGLBSA-N 303.384 -0.850 30 20 DBED C[C@H](CO)C/N=C(/O)NCC1CCN(S(C)(=O)=O)CC1 330444238 WNLAOKXXURUZEL-JTQLQIEISA-N 307.416 -0.210 30 20 DBED COC(=O)[C@@H]1CCCN(/C(O)=N/CCNS(C)(=O)=O)C1 330886032 MCRDDBNDDXLYOG-SECBINFHSA-N 307.372 -0.665 30 20 DBED CC[C@@H]1CN(C(=O)Cn2cnc(C#N)n2)CCN1C[C@@H](C)O 331183175 ZZFSQZMGGOOOCP-VXGBXAGGSA-N 306.370 -0.547 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@@H]1CCCS1(=O)=O 336938307 HMSJXCISIGUHKA-MNOVXSKESA-N 323.440 -0.120 30 20 DBED C=CCNC(=O)CNC(=O)c1cc(S(N)(=O)=O)c(C)o1 347888083 CYHXMGFMFCERLQ-UHFFFAOYSA-N 301.324 -0.733 30 20 DBED N#CCC1(O)CN(C(=O)CNS(=O)(=O)c2ccccc2)C1 355894144 DHIKEKVCWSAXLI-UHFFFAOYSA-N 309.347 -0.548 30 20 DBED Cc1ccc(C#N)cc1NC(=O)C(=O)N1C[C@H](O)C[C@H]1CO 372658426 VHKKYIMBLHTEII-NWDGAFQWSA-N 303.318 -0.241 30 20 DBED C=CC1CCN(C(=O)C(=O)N2CC[C@@H](N3CCNCC3)C2)CC1 423313223 WLNROSMUTNKMRK-OAHLLOKOSA-N 320.437 -0.083 30 20 DBED CN(C)C[C@H](O)CNC(=O)C(=O)Nc1ccc(F)cc1C#N 435635384 JMKGWZOFJKTQNB-LLVKDONJSA-N 308.313 -0.325 30 20 DBED Cc1cc(NC(=O)C(=O)N2C[C@H](O)C(C)(C)C2)nn1CCC#N 448432139 KGWWDKCAKZJMOH-NSHDSACASA-N 319.365 0.273 30 20 DBED C=CCN(CCCOC(=O)NC(N)=O)[C@H]1CCS(=O)(=O)C1 494153745 HEUZTPNTANWBBN-JTQLQIEISA-N 319.383 -0.144 30 20 DBED CC(C)(C)OC(=O)NCCN(CCO)CC(=O)NCC#N 495455549 ZXDUSJKXUZMJAC-UHFFFAOYSA-N 300.359 -0.555 30 20 DBED N#Cc1cc(N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc(N)c1[N+](=O)[O-] 517962632 YONABOFUWSIRNA-CMPLNLGQSA-N 316.321 -0.203 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)[C@H](C)N2C(=O)CCC2=O)C1=O 545251243 IRODOKJZSZHRHT-WDEREUQCSA-N 307.350 -0.231 30 20 DBED Cc1cc(NC(=O)C(=O)N2C[C@@H](C)O[C@@H](CO)C2)ncc1C#N 572057604 ODEIZCZXYDZARY-ZYHUDNBSSA-N 318.333 -0.192 30 20 DBED CN1CCN(C(=O)C(=O)N2CCC(CCC#N)CC2)[C@@H](CN)C1 584291949 NZJYMZBCROXZQT-AWEZNQCLSA-N 321.425 -0.370 30 20 DBED CC(C)(C(N)=O)N1CCN(C(=O)c2cccc(C#N)n2)CC1 589438236 GPXIELUUMBQXRX-UHFFFAOYSA-N 301.350 -0.025 30 20 DBED C[C@H]1CN(C[C@H](O)CNCCn2cnc(C#N)n2)C[C@@H](C)O1 591766626 QLRKRKGGYYCNQA-FRRDWIJNSA-N 308.386 -0.791 30 20 DBED N#C[C@@H]1CN(c2nc3ccc(S(N)(=O)=O)cc3[nH]2)CCO1 596116509 MJYATAADJIWDFN-MRVPVSSYSA-N 307.335 -0.061 30 20 DBED CC(C)[C@H]1CN(C(=O)C(=O)N2CCN(CCC#N)CC2)CCN1 601584261 UBSHBLWEVFLPIF-CQSZACIVSA-N 321.425 -0.499 30 20 DBED CCNS(=O)(=O)CCNC(=O)NC1CCN(CC#N)CC1 731684840 JYKKGGZLUJZQLX-UHFFFAOYSA-N 317.415 -0.787 30 20 DBED C#CCCN1CCC(NC(=O)Cn2ccc(=O)n(C)c2=O)CC1 740735941 WBFKTNAXHAXNNO-UHFFFAOYSA-N 318.377 -0.849 30 20 DBED C#CCCN1CCC(NC(=O)CS(=O)(=O)CCOC)CC1 743491508 IRWMQHUCCJKXLV-UHFFFAOYSA-N 316.423 -0.349 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)[C@@H](CO)NC(=O)c1ccccc1 744829408 OBSCZESYIGFEPQ-WCQYABFASA-N 318.329 -0.542 30 20 DBED N#Cc1c(N2CCN3C(=O)OC[C@@H]3C2)cccc1S(N)(=O)=O 755025536 AHNHBCFVJSXBBY-VIFPVBQESA-N 322.346 -0.154 30 20 DBED CCS(=O)(=O)NCC(=O)OCC(=O)N[C@@](C)(C#N)C(C)C 767395827 SYCMQJFCYGQDOI-LBPRGKRZSA-N 319.383 -0.477 30 20 DBED C=CCS(=O)(=O)CCNS(=O)(=O)c1c(C)n[nH]c1C 782988118 WIBSMOTYTAXSPO-UHFFFAOYSA-N 307.397 -0.094 30 20 DBED Cn1cc(S(=O)(=O)NC(=O)CC(C)(C)C#N)cc1C(N)=O 786272580 JXSADNOJHKWRSF-UHFFFAOYSA-N 312.351 -0.131 30 20 DBED C#Cc1cncc(C(=O)NCCC(=O)N2CCN(C)CC2)c1 798290447 DXVOBSKKEMEYER-UHFFFAOYSA-N 300.362 -0.043 30 20 DBED C#CCC[C@H](O)CNC(=O)c1csc(S(N)(=O)=O)c1 799071784 SJFTXTKQRQMZPG-VIFPVBQESA-N 302.377 -0.100 30 20 DBED C#C[C@@H](NC(=O)C(=O)NCCOc1cccnc1)[C@H]1CCCO1 804075857 KHCVXNCJYHXZOZ-ZIAGYGMSSA-N 317.345 -0.126 30 20 DBED CCn1cc(-c2nn[nH]n2)c(=O)n(CCCSCC#N)c1=O 821565483 UXRCKGVNACCWCK-UHFFFAOYSA-N 321.366 -0.143 30 20 DBED CC#CC[C@@H](CO)NC(=O)NCCS(=O)(=O)CC1CC1 826732613 NBEPZEPXEBNDNQ-LBPRGKRZSA-N 302.396 -0.115 30 20 DBED C#CCNCC(=O)NCc1ccccc1S(=O)(=O)N(C)C 857576580 JWQXSPDAUGKCEZ-UHFFFAOYSA-N 309.391 -0.224 30 20 DBED C=CCCn1cc(C(=O)N2C[C@H]3C(=O)N(C)C(=O)[C@H]3C2)nn1 871531286 CFUBTKVIPFPFEN-AOOOYVTPSA-N 303.322 -0.459 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCN(c2nnc(C)n2C)CC1 880573222 QPBTUQVMHFSTIT-AWEZNQCLSA-N 316.409 -0.130 30 20 DBED COc1ccc(S(=O)(=O)NCCC(=O)NO)cc1OC 916666771 DERPVOKZTZQWAF-UHFFFAOYSA-N 304.324 -0.122 30 20 DBED N#C[C@@H](C(=O)CN1CCCS1(=O)=O)C(=O)Nc1ccccn1 917509702 NFVKWLBQZQIPKO-JTQLQIEISA-N 322.346 -0.236 30 20 DBED C=C1CC(C)(C(=O)N2C[C@@H](NC(=O)[C@H]3CNC(=O)N3)[C@H](C)C2)C1 939661858 AIPXFRBRDJOFDI-IJLUTSLNSA-N 320.393 -0.013 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2cnn(C)n2)C1 942447790 MJDAENGBCJUXMK-WZRBSPASSA-N 319.365 -0.263 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)[C@H]1CC[C@@H]1C(N)=O)CCO2 949153675 FOPFJMFRQHNDPK-KBPBESRZSA-N 319.405 -0.176 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CNC(=O)[C@H]2COCCN2C)CC1 949390920 MRJANTIAIZQSNK-TZMCWYRMSA-N 322.409 -0.169 30 20 DBED C#Cc1cncc(C(=O)N2CC[C@@H]2CNC(=O)c2cnnn2C)c1 949695415 LWHDSEJSYMEOIT-CYBMUJFWSA-N 324.344 -0.164 30 20 DBED O=C(CN1CCOCC1)N[C@@H]1CCCN(C(=O)C#CC2CC2)C1 950758579 KYOWUTNYZKGNHV-OAHLLOKOSA-N 319.405 -0.161 30 20 DBED NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCCN(C(=O)C#CC2CC2)C1 950764500 PWDLVZLUSBTSHF-UPJWGTAASA-N 303.362 -0.372 30 20 DBED CN(C(=O)[C@@H]1CCC(=O)N1)C1CN(C(=O)c2c[nH]c(C#N)c2)C1 954914752 KAZCVGNDCFDWCT-LBPRGKRZSA-N 315.333 -0.552 30 20 DBED Cn1nc(C(=O)NC[C@H]2CN(CC#N)C[C@H]2O)cc1C1CC1 958122116 QBVYMPPXKMJPOK-SMDDNHRTSA-N 303.366 -0.156 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](NC(=O)c2cncnc2O)[C@H](C)C1 958376481 UZDPQSBBHVWVPQ-FXPVBKGRSA-N 303.322 -0.081 30 20 DBED C#CCN1CCC(C(=O)NC[C@H]2CN(CCF)C[C@H]2O)CC1 958723898 JZJVQDLCGXQHQM-LSDHHAIUSA-N 311.401 -0.290 30 20 DBED C=CCN1C[C@@H](O)[C@H](CNC(=O)c2cccc(C(N)=O)n2)C1 958736446 OQJNAUAVRNJFPV-ZWNOBZJWSA-N 304.350 -0.611 30 20 DBED NC(=O)CC(=O)N1CCC[C@H]2[C@H]1CCN2C(=O)C#CC1CC1 962885291 SYLORMOPPMBTHQ-QWHCGFSZSA-N 303.362 -0.133 30 20 DBED Cc1nnsc1C(=O)NC[C@H]1COCCN1C(=O)[C@H](C)C#N 964073036 AFQSTZBPROHOCI-SCZZXKLOSA-N 323.378 -0.037 30 20 DBED Cc1c[nH]c(C(=O)NC[C@H]2COCCN2C(=O)[C@H](C)C#N)n1 964198606 MPNOHKQVSWYFHY-KOLCDFICSA-N 305.338 -0.165 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)c1ccc(O)nc1 964349108 RJEQLNLWFDNHQP-JQWIXIFHSA-N 318.333 -0.096 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](NCCN2CCCS2(=O)=O)C1 967942661 DTRQZELKUHORDZ-NWDGAFQWSA-N 314.411 -0.628 30 20 DBED C#CCCN1CC([C@@H](C)NC(=O)c2cnc(O)n(C)c2=O)C1 970262688 TYUSSZQVIZBAOR-SNVBAGLBSA-N 304.350 -0.441 30 20 DBED C=CCn1cc(C(=O)N[C@H](C)C2CN([C@H]3CCNC3=O)C2)nn1 970544625 PQASEVGEDGOOTF-MFKMUULPSA-N 318.381 -0.597 30 20 DBED C=CCN1CCO[C@]2(CCN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)C1 972416932 MYUHBTBMHAMTKH-XHDPSFHLSA-N 322.365 -0.926 30 20 DBED N#Cc1ccc(C(=O)NC[C@H]2C[C@@H](NC(=O)c3cnn[nH]3)C2)[nH]1 978738977 QFVAJYOOFHPTTD-WAAGHKOSSA-N 313.321 -0.057 30 20 DBED CC#CCN1C[C@@H]2C(CNC(=O)[C@@H]3CCCN3C(N)=O)[C@H]2C1 979118783 TVCSZFGHEAYEMZ-MCIONIFRSA-N 304.394 -0.153 30 20 DBED C[C@@H](NCc1ccccc1C#N)[C@@H]1CN(C(=O)C(N)=O)CCO1 979359722 NPFDTXMFNLOJJY-RISCZKNCSA-N 316.361 -0.251 30 20 DBED C#CCN1CCN(C(=O)N2CCN(C(=O)CSC)CC2)CC1 985823261 UYAACNVONLTOIO-UHFFFAOYSA-N 324.450 -0.136 30 20 DBED C=CCN[C@H]1CCN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)[C@@H]1C 987186189 BCHAZMKYECVHBY-PWSUYJOCSA-N 316.365 -0.164 30 20 DBED C[C@@H]1C[C@@H](NCc2nnnn2C)CN1C(=O)c1ccc(C#N)[nH]1 988657775 VNSQDNMCHJIXBP-MWLCHTKSSA-N 314.353 -0.197 30 20 DBED C=CCCn1cc(C(=O)N2CC[C@@H](NC(=O)CC)[C@@H](O)C2)nn1 991145041 XTZAWRJSIOXPLU-YPMHNXCESA-N 321.381 -0.044 30 20 DBED C=CCN[C@@H]1CCC[C@H]2CN(C(=O)CN3C(=O)CNC3=O)C[C@@H]21 992903742 RSMPMRMNKWHUNV-RWMBFGLXSA-N 320.393 -0.059 30 20 DBED CC#CCN1CCC[C@H](NC(=O)CN2CCC(=O)NC2=O)[C@@H]1C 994170002 UKBSXQPNMXLDFU-STQMWFEESA-N 320.393 -0.079 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)[C@@H]2CCc3nnc(O)n3C2)C1 994579683 KXHBIQXOBNUPFK-DTWKUNHWSA-N 318.337 -0.967 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)[C@H](C)n3cncn3)C2)cn1 997090841 RWRSLYZADYOAPA-NSHDSACASA-N 324.344 -0.144 30 20 DBED C[C@@H](C#N)C(=O)N1CC(CNC(=O)[C@@H]2CCCc3nn[nH]c32)C1 1003911015 XVQCAFSYMPSFKI-GXSJLCMTSA-N 316.365 -0.041 30 20 DBED CC(=O)N1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@H](C)C#N)CC1 1011287657 ZEVUJUQHEBOHGH-DGCLKSJQSA-N 306.366 -0.172 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H]2C(NC(=O)[C@@H]3CNC(=O)N3)[C@@H]2C1 1013680319 JOQHXLHCBCXOML-BBBLOLIVSA-N 306.366 -0.547 30 20 DBED N#CCN[C@H]1CCN(C(=O)c2ccc(OCC(N)=O)cc2)C1 1019114554 CVRLJZXSDFHPQR-LBPRGKRZSA-N 302.334 -0.122 30 20 DBED N#Cc1cc(C(=O)N[C@H]2C[C@H](NCc3nc(O)n[nH]3)C2)c[nH]1 1020088519 OSQVXQZCKWSRJY-KYZUINATSA-N 301.310 -0.239 30 20 DBED C=C(C)CN[C@H]1C[C@@H](NC(=O)C2(n3cnnn3)CCOCC2)C1 1022839915 ZCYWDKMBXRTNLK-BETUJISGSA-N 320.397 -0.008 30 20 DBED O=C(N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O)[C@@H]1CCCOC1 1023187622 BTFBUAPCDJMNQP-MGPQQGTHSA-N 306.362 -0.486 30 20 DBED C#CCCN1CCCC[C@H]1CNC(=O)[C@@H]1CC(=O)NC(=O)N1 1024686075 VGXBGCIJCVHDAC-RYUDHWBXSA-N 306.366 -0.422 30 20 DBED C#CCN(C)[C@H]1CCCN(C(=O)CN2CCC(=O)NC2=O)C1 1027639664 CVWYSGORVBZXRW-LBPRGKRZSA-N 306.366 -0.516 30 20 DBED C#CCCN1CCC[C@H]1CNC(=O)c1cc(=O)n2[nH]cnc2n1 1028260869 OWLLUTCGQSRBMZ-NSHDSACASA-N 314.349 -0.365 30 20 DBED CC#CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC(=O)N(CCOC)C1 1032433945 UNTPUWYFPYQPSW-KKUMJFAQSA-N 319.405 -0.210 30 20 DBED CC#CCN1CC[C@@H](N(C)C(=O)c2cc(=O)n3[nH]cnc3n2)C1 1033580475 DVHBQBOEXWTFCD-LLVKDONJSA-N 314.349 -0.413 30 20 DBED C#CCN1CCCC[C@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)C1 1034511418 AVLFOFZWDHRUAY-LBPRGKRZSA-N 320.393 -0.079 30 20 DBED Cn1cnc2cncc(C(=O)NC[C@H]3CN(CC#N)CCO3)c21 1035400790 SFAMXPUYRZEMFU-NSHDSACASA-N 314.349 -0.078 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)CN3C(=O)CN(C)C3=O)CC[C@@H]21 1036888776 PBGXSZNABUXTFT-OLZOCXBDSA-N 318.377 -0.564 30 20 DBED C=CCCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)Cn1cnc(C(N)=O)n1 1037413028 RNXCEGUXTMDKGN-JFGNBEQYSA-N 304.354 -0.858 30 20 DBED C=CCn1cc(C(=O)N2CC[C@@H](NCC(N)=O)[C@H](CC)C2)nn1 1037933442 YTLYREFMVLIJBE-VXGBXAGGSA-N 320.397 -0.220 30 20 DBED C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1ncn(C)c1=O 1039396447 RDAXELTYLAWYLR-OLZOCXBDSA-N 305.382 -0.167 30 20 DBED CCCN(C)CC(=O)N1CC[C@](O)(CNC(=O)C#CC2CC2)C1 1039680249 BLSGYEIMSUODRR-KRWDZBQOSA-N 321.421 -0.179 30 20 DBED C=CCO[C@H](C)C(=O)NC[C@@]1(O)CCN(C(=O)c2ccon2)C1 1040160866 IKMGNAOODNRKRK-ABAIWWIYSA-N 323.349 -0.041 30 20 DBED C=CCCOCC(=O)N1CC(O)(CNC(=O)CCOCC)C1 1042009678 RJYNYLDDTGGMJC-UHFFFAOYSA-N 314.382 -0.305 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)c2nnn(C)c2C)C1 1042277769 WBFWIFKYGIGEDT-UHFFFAOYSA-N 319.365 -0.770 30 20 DBED C#CCCCCC(=O)NCC1(O)CN(C(=O)CCN(C)C)C1 1042663797 GCFDGTFFNPWIPA-UHFFFAOYSA-N 309.410 -0.179 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H](C)CO2)C1 1042937851 LYTAAMUWLMNIDZ-STQMWFEESA-N 308.378 -0.240 30 20 DBED C[C@@H](C(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1)n1cccn1 1042958861 NYEZSXQTPHUVMQ-LBPRGKRZSA-N 316.361 -0.453 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)[C@H]2CC2(C)C)C1 1043040494 SSPKZOQOQVWNAW-VXGBXAGGSA-N 308.378 -0.240 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)CCc2cn[nH]c2)C1 1043218839 OUBVOAMXKLUNFP-UHFFFAOYSA-N 306.366 -0.002 30 20 DBED C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)C[C@H]1Nc1nccnc1C#N 1043261985 BTOSDPLQZRHJDD-JFGNBEQYSA-N 314.349 -0.114 30 20 DBED C=C(C)CCC(=O)NCC1(O)CN(C(=O)c2cnnn2CC)C1 1043310266 DNQCVCAOLHLAGE-UHFFFAOYSA-N 321.381 -0.043 30 20 DBED C=C(C)CCC(=O)NCC1(O)CN(C(=O)CCn2cncn2)C1 1043311985 MMAIAJYXDHGCCI-UHFFFAOYSA-N 321.381 -0.286 30 20 DBED C#CCN[C@H]1CCN(C(=O)CCc2nnc(O)nc2O)[C@H](C)C1 1044657066 KRDGWKZUVKSQIM-MNOVXSKESA-N 319.365 -0.182 30 20 DBED CO[C@@H](CC(C)C)C(=O)N1CC(O)(CNC(=O)[C@H](C)C#N)C1 1045550956 CJTWSOPPQUAUTH-NEPJUHHUSA-N 311.382 -0.103 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)c2cc(Cl)no2)C1 1045560475 WRHNNKUCCNGMKY-ZETCQYMHSA-N 312.713 -0.209 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)CCCN2CCCC2)C1 1045560486 XBVYBPGVYGMWOW-ZDUSSCGKSA-N 322.409 -0.288 30 20 DBED C#CCN1CCC2(CC1)CO[C@H](CNC(=O)[C@@H]1CNC(=O)N1)C2 1045677881 CXVRAQUGTLMEGP-STQMWFEESA-N 320.393 -0.712 30 20 DBED C=CCCN1CC[C@@H](N2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)C1 1046062616 HEZGIXVWODBSKR-KFWWJZLASA-N 320.437 -0.098 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)CN2CC[C@@H](C)C2)C1 1046677418 UTVYXQSVGINMSQ-CQSZACIVSA-N 321.421 -0.179 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3nnnn3c2)C1 1047457657 IASTVBWMVBDFOS-STQMWFEESA-N 314.349 -0.735 30 20 DBED CCc1nc[nH]c1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)C#N)C1 1049393709 DIHIMBWZNZSJSF-USWWRNFRSA-N 319.365 -0.225 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCN(Cc3nc(=O)n(C)[nH]3)CC2)C1 1050463037 HFIRLUFQKQBPRA-LLVKDONJSA-N 318.381 -0.308 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H]([C@H](C)NC(=O)COCC)C1 1050489312 BFAZGALUGSDUCK-QWHCGFSZSA-N 323.393 -0.484 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)[C@@H]1CCc2nncn2CC1 1051033494 HRQHVHLYCDGWMY-ZIAGYGMSSA-N 317.393 -0.319 30 20 DBED N#CCN1CCN([C@H]2CCN(C(=O)c3cnsn3)C2)CC1 1051990977 ZATSILPACDNRHR-NSHDSACASA-N 306.395 -0.106 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H]1CN(C(=O)C(C)C)C[C@H]1C 1052006050 BBYIHPBMUJQBLH-CHWSQXEVSA-N 307.394 -0.007 30 20 DBED N#CCN1CCN([C@H]2CCN(C(=O)c3ccnnc3)C2)CC1 1052086773 ICLIMXPYHQIJTF-AWEZNQCLSA-N 300.366 -0.168 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)CNC(=O)NC)C[C@H]1C 1052776664 QZKJIJAEBMJCCM-CHWSQXEVSA-N 322.409 -0.070 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)C[C@H]1CCNC1=O)CCO2 1053286283 YFRKWALSJZRDBH-CYBMUJFWSA-N 305.378 -0.551 30 20 DBED Cn1cncc1CCC(=O)N1CCOC2(CN(CC#N)C2)C1 1053522051 NOKQYTGCXUNLHF-UHFFFAOYSA-N 303.366 -0.211 30 20 DBED C=CCN1CC2(C1)CN(C(=O)[C@H]1CN(CC)CCO1)CCO2 1053538184 VCPFOCFTNCPDTL-CQSZACIVSA-N 309.410 -0.194 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1COC2(C1)CN(CC(=O)NC)C2 1053927390 AKPOUOAKPOYODU-UPJWGTAASA-N 323.393 -0.717 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)[C@H]3CCC(=O)N(C)C3)CO2)C1 1054017565 FFOCHLCNZDJXQY-STQMWFEESA-N 305.378 -0.553 30 20 DBED C[C@@H](C#N)C(=O)NCCN1CCC(NC(=O)c2cc[nH]n2)CC1 1055629512 CCJZHYOWFQYQCM-NSHDSACASA-N 318.381 -0.120 30 20 DBED Cn1ncc(C(=O)N[C@H]2[C@@H]3CN(c4nccnc4C#N)C[C@@H]32)c1N 1056175823 GWZATQCJEMGOMB-IAZYJMLFSA-N 324.348 -0.471 30 20 DBED C#CCOCCC(=O)N1CC[C@@H]2[C@H]1CCCN2C(=O)C(N)=O 1056537431 KDKSAAVKIXXRMX-VXGBXAGGSA-N 307.350 -0.897 30 20 DBED Cn1cccc1C(=O)N(CCO)CCNC(=O)C#CC1CC1 1056986825 IRMXAOXZTZHNQG-UHFFFAOYSA-N 303.362 -0.011 30 20 DBED CN(c1ccc(C#N)nn1)[C@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 1057010732 CTKHWPHDDPNDEI-NSHDSACASA-N 314.349 -0.349 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)[C@H](CC)OC 1057193920 UTFYYCIWOAAZHP-LBPRGKRZSA-N 302.371 -0.449 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)[C@H]1COCCO1 1057439715 YCECWCXVOAKPRQ-CYBMUJFWSA-N 312.366 -0.858 30 20 DBED CN1CCC[C@@H]1C(=O)NCCN(CCO)C(=O)C#CC1CC1 1057531068 DIFAJCPLSJASNM-CQSZACIVSA-N 307.394 -0.569 30 20 DBED N#Cc1nc(=N[C@H]2CCCN(C(=O)[C@H]3CCC(=O)N3)C2)cc[nH]1 1057600141 UPQAFXWKXGDDIT-WDEREUQCSA-N 314.349 -0.548 30 20 DBED N#Cc1ccc(N2CCC[C@@H](NC(=O)Cn3cnnn3)C2)nc1 1058118302 CQTMRDRWJHPCRK-GFCCVEGCSA-N 312.337 -0.275 30 20 DBED N#Cc1nccc(N2CCC[C@H](NC(=O)Cc3nc[nH]n3)C2)n1 1058194206 QLYJRWPUQSJPBM-JTQLQIEISA-N 312.337 -0.206 30 20 DBED N#Cc1nccc(N2CCC[C@@H](NC(=O)[C@@H]3CNC(=O)N3)C2)n1 1058231314 DYLAAPQARIHPPX-ZJUUUORDSA-N 315.337 -0.885 30 20 DBED N#Cc1cc(C(=O)NCC[C@H]2CCN(C(=O)CC(N)=O)C2)c[nH]1 1059379387 QFYZVAUAXZSWAS-JTQLQIEISA-N 317.349 -0.270 30 20 DBED N#Cc1cnc(NC[C@H]2CCN(C(=O)[C@@H]3COC(=O)N3)C2)cn1 1060865197 MGIFAUZAAHICSU-KOLCDFICSA-N 316.321 -0.283 30 20 DBED N#Cc1nc(=NC[C@@H]2CCN(C(=O)[C@H]3CCNC3=O)C2)cc[nH]1 1060952481 DCZGQKOLWPHHRK-QWRGUYRKSA-N 314.349 -0.833 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCOC[C@H]1CNC(=O)COCC 1061244612 BKNAARZPYAFHLM-QWHCGFSZSA-N 314.382 -0.042 30 20 DBED N#CCSCC(=O)NC[C@@H]1COCCN1C(=O)c1cc[nH]n1 1061317423 GZOPWFLPKMRJJE-SNVBAGLBSA-N 323.378 -0.376 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H]1COCCN1C(=O)c1cnco1 1061584399 GVVISAZEVIHPIJ-VXGBXAGGSA-N 321.333 -0.330 30 20 DBED Cn1ncc(C(=O)N2C[C@@H]3C[C@H]2CN3c2cnc(C#N)cn2)c1N 1062479713 HOUHJQRGDDLTNU-QWRGUYRKSA-N 324.348 -0.233 30 20 DBED CN(C(=O)[C@H]1COCCO1)[C@H]1CCN(c2cnc(C#N)cn2)C1 1062887843 YYGUQBKNGBTBDU-QWHCGFSZSA-N 317.349 -0.199 30 20 DBED CC(C)C#CC(=O)NCC1(NC(=O)CCn2cnnn2)CCC1 1062956411 HWYJTUGNKMVOKE-UHFFFAOYSA-N 318.381 -0.122 30 20 DBED CS(=O)(=O)CC(=O)N1CCC[C@@H]1CNc1ccc(C#N)nn1 1063447876 LABPWPRSDFHTRX-LLVKDONJSA-N 323.378 -0.204 30 20 DBED N#Cc1nccnc1N1C[C@H]2C[C@H]1[C@H]2NC(=O)c1cncnc1O 1064310493 WODZNMIODQDMHH-ZHAHWJHGSA-N 323.316 -0.149 30 20 DBED Cc1cc(C#N)nc(N2CC[C@H]3CC[C@@H](C2)N3C(=O)C(N)=O)n1 1064485743 GEUACVUDVVOHBB-NEPJUHHUSA-N 314.349 -0.288 30 20 DBED CNC(=O)CCCC(=O)N1CCO[C@@H](CNC(=O)[C@H](C)C#N)C1 1065068540 KTBKJNFGAIKYAU-NEPJUHHUSA-N 324.381 -0.594 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CCO1 1065259694 CXIQLTZFGRBMNB-CHWSQXEVSA-N 322.409 -0.026 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)c2cnn[nH]2)CCO1 1065325867 IJGODNYSEONYST-NSHDSACASA-N 305.338 -0.579 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H](NC(=O)CS(C)(=O)=O)CC1 1065938523 HFTXNSYFALDICB-GHMZBOCLSA-N 315.395 -0.312 30 20 DBED N#Cc1cnc(N2C[C@H]3CC[C@H]2CN3C(=O)c2nc[nH]n2)cn1 1068048372 XDKZUGITNJXHKI-WDEREUQCSA-N 310.321 -0.040 30 20 DBED C=CCCC(=O)N1CC2(C[C@@H](NC(=O)Cn3cnnn3)CO2)C1 1068686035 CUQITSOERCVNED-LLVKDONJSA-N 320.353 -0.875 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1COC2(C1)CN(C(=O)COC)C2 1068867980 HBIBZROAEGDXIS-RYUDHWBXSA-N 310.350 -0.843 30 20 DBED CN1CCO[C@@H](C(=O)NCc2cnn3c2CN(CC#N)CC3)C1 1069856939 RRLKOSPJGDIDMF-CQSZACIVSA-N 318.381 -0.831 30 20 DBED C#CCN1CCn2ncc(CNC(=O)[C@H]3CC(=O)N(C)C3)c2C1 1069862478 QGUNSVFHUVMOBE-LBPRGKRZSA-N 315.377 -0.574 30 20 DBED N#Cc1cc(C(=O)N2C[C@H](n3ccnn3)[C@H](NCCO)C2)c[nH]1 1070180685 AFKZECIGDBNNKA-OLZOCXBDSA-N 315.337 -0.875 30 20 DBED C=C[C@@H](C)[C@H](C)C(=O)NCC1(NC(=O)C(N)=O)CCOCC1 1070229948 PABIPHIBNQODNK-MNOVXSKESA-N 311.382 -0.289 30 20 DBED C#CCOCCC(=O)NCC1(NC(=O)[C@H](C)C#N)CCOCC1 1070232497 KTWVHNJBBALCNC-CYBMUJFWSA-N 321.377 -0.032 30 20 DBED Cn1cc(C(=O)NCc2c[nH]nc2[C@@H]2CCN(CC#N)C2)nn1 1070407791 JQZAKQVLWNHMPE-SNVBAGLBSA-N 314.353 -0.219 30 20 DBED C=CCN1C[C@H]2C[C@@H]3CN(C(=O)CS(C)(=O)=O)C[C@@]3(C1)O2 1070766709 GWZIEQLRPGZEOT-YRGRVCCFSA-N 314.407 -0.481 30 20 DBED C=C(C)[C@H](CC(=O)N1CCC[C@@H](NC(=O)C(N)=O)C1)OCC 1070829095 LRNFUAFIEIOJDE-NEPJUHHUSA-N 311.382 -0.050 30 20 DBED C[C@H]1CC[C@H](NC(=O)c2cnc(O)n(C)c2=O)CN1CC#N 1071734940 DIWJNZPFXBGXIO-UWVGGRQHSA-N 305.338 -0.408 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](NC(=O)c2cc[nH]n2)[C@H](C)C1 1071932302 HHVQLAXTHFYMPS-ZYHUDNBSSA-N 317.349 -0.874 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)Cc2nc[nH]n2)C[C@H]1C 1072778498 RFTGIDGLQJLXIE-GHMZBOCLSA-N 307.354 -0.487 30 20 DBED C#CCCCCC(=O)NCC[C@H](C)NC(=O)Cn1cnnn1 1076208138 HCOJLDRYXKHEGH-LBPRGKRZSA-N 306.370 -0.122 30 20 DBED C#CCO[C@@H](C)C(=O)NCC[C@H](C)NC(=O)c1cnnn1CC 1076507335 CYDOAYKKDPXDJQ-RYUDHWBXSA-N 321.381 -0.039 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)c2cc(=O)c(OC)c[nH]2)C1 1077390555 ZKSQWGXAEJNVID-DGCLKSJQSA-N 307.350 -0.266 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H](C)CCNC(=O)C(=O)NCC1CC1 1078057287 LAHBWXGBDYYZIG-NWDGAFQWSA-N 323.393 -0.438 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)CC(=O)N(C)C)C1 1079800647 YPBZPYKYHGHKLR-LBPRGKRZSA-N 323.393 -0.438 30 20 DBED C#CCNC(=O)CC(=O)N1CC(N(CC)C(=O)CCCF)C1 1080264520 SOIWDAJMEWSPAK-UHFFFAOYSA-N 311.357 -0.065 30 20 DBED C=CCOCC(=O)N1CC(N(CC)C(=O)[C@@H]2CCC(=O)N2C)C1 1080274640 IZNRWGIOPSYVNF-ZDUSSCGKSA-N 323.393 -0.131 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CO)(NC(=O)[C@@H]2CCN(C)C2)CC1 1080865344 RKLKPLHEAABJGH-CHWSQXEVSA-N 322.409 -0.433 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)Cc2ccon2)C[C@@H]1O 1081346858 NJEOXJZUZYPSFB-AAEUAGOBSA-N 323.349 -0.645 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)CC(C)(C)O)C[C@H]1O 1081441560 JIQJVLGHTZICCE-QWHCGFSZSA-N 310.394 -0.114 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)c2cnccn2)C[C@H]1O 1081460314 FVHFTWKJIUHNLY-TZMCWYRMSA-N 316.361 -0.315 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 1081471500 OIEAHIWFSFHEIW-GJZGRUSLSA-N 300.358 -0.251 30 20 DBED C#CCCN1C[C@@H](NC(=O)c2cccc(=O)n2C)[C@H](OC)C1 1082119569 LVXQEJWVTIYCNF-TZMCWYRMSA-N 303.362 -0.162 30 20 DBED C=CCCN1CC[C@@H]2CN(C(=O)C[C@@H]3NC(=O)NC3=O)[C@@H]2C1 1084418705 OFWRVEVNOXAUJS-GRYCIOLGSA-N 306.366 -0.307 30 20 DBED CC1(C)[C@@H]2[C@H](CCCN2CC#N)[C@H]1NC(=O)Cn1cnnn1 1087271173 NHQJZLNHGNVSRL-RTXFEEFZSA-N 303.370 -0.198 30 20 DBED CC[C@@H]1[C@@H](NC(=O)[C@H]2CC(=O)N(CCOC)C2)CCN1CC#N 1087591414 DAHPXKLVYTYGCN-MELADBBJSA-N 322.409 -0.026 30 20 DBED CC(=O)NCC(=O)N[C@H](C)C[C@@H](C)N=c1cc[nH]c(C#N)n1 1089210522 FDNOPXWULOQQTG-NXEZZACHSA-N 304.354 -0.399 30 20 DBED C[C@H]1[C@@H](Nc2cncc(C#N)n2)CCN1C(=O)CCNC(N)=O 1090218233 UNGOLQIIUHLBSJ-ONGXEEELSA-N 317.353 -0.192 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2cc(C(N)=O)cn2C)[C@H](O)C1 1090398904 JEQWTCZGRQWQIX-TZMCWYRMSA-N 318.377 -0.688 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1O 1090490380 RZBSJMOXCHXNIO-CYZMBNFOSA-N 315.333 -0.948 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2ccc3nncn3c2)[C@H](O)C1 1090645200 BEEWGSWTOCULEW-UONOGXRCSA-N 313.361 -0.082 30 20 DBED C#CCN1CC[C@H](NC(=O)c2ccc(C(=O)NC)nc2)[C@H](O)C1 1090733497 GYFBYHFIJXCOEL-GXTWGEPZSA-N 316.361 -0.761 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1091150802 ZRMHECGSADGTAW-NEPJUHHUSA-N 315.333 -0.946 30 20 DBED C[C@H](C(=O)NCCN=c1cc[nH]cc1C#N)N1C(=O)CCC1=O 1094201313 BHTISEWIEIHVBG-SNVBAGLBSA-N 315.333 -0.559 30 20 DBED Cc1cnccc1C(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1 1094734667 BKZFMRWDRAEYOK-LBPRGKRZSA-N 313.361 -0.072 30 20 DBED C[C@@]1(C(=O)NCCCNc2cnc(C#N)cn2)CCNC1=O 1094781082 QINFWVIMRGCFQI-AWEZNQCLSA-N 302.338 -0.207 30 20 DBED N#Cc1cnc(N[C@@H]2CCN(C(=O)CNC(N)=O)C2)c(F)c1 1095015914 TXBUXDYJGHKYGM-SECBINFHSA-N 306.301 -0.227 30 20 DBED CC(=O)NCC(=O)N1CCC[C@@H](Nc2cnc(C#N)cn2)C1 1095271779 GBAXHOJFQYBIJJ-LLVKDONJSA-N 302.338 -0.113 30 20 DBED C[C@H](CNC(=O)CN1CCCC1=O)Nc1cnc(C#N)cn1 1097697010 RFJWPRJVLUGLJW-SNVBAGLBSA-N 302.338 -0.113 30 20 DBED CC(=O)N1CC(C(=O)NC[C@H](C)Nc2cncc(C#N)n2)C1 1097780127 SKUDRNNZNAGJLK-VIFPVBQESA-N 302.338 -0.257 30 20 DBED C[C@@H](CNC(=O)CN1C(=O)CCC1=O)Nc1cncc(C#N)n1 1097848543 UYKLRIWKCUMAMN-VIFPVBQESA-N 316.321 -0.586 30 20 DBED C[C@@H](CNC(=O)C[C@@H]1CC(=O)NC1=O)Nc1cnc(C#N)cn1 1097943945 OJPWQCJBFRCTTD-DTWKUNHWSA-N 316.321 -0.682 30 20 DBED C[C@@H](CNC(=O)CN1CC(=O)NC1=O)Nc1ccc(C#N)nc1 1098007700 GHTGVAICARHLGO-VIFPVBQESA-N 316.321 -0.578 30 20 DBED C[C@H](CNC(=O)C(=O)NCC1CC1)N=c1cc[nH]c(C#N)n1 1098012594 LQHWBEHCOONCNE-SECBINFHSA-N 302.338 -0.787 30 20 DBED CC#CCN(CCO)C1CCN(C(=O)[C@H]2CCCNC2=O)CC1 1098399168 AYMZNAUFEILXLG-HNNXBMFYSA-N 321.421 -0.179 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)c1nnn(C)n1)C[C@H](C)O2 1098627469 RZDBDXFBYIFMMZ-LBPRGKRZSA-N 318.381 -0.461 30 20 DBED C#CCCN1C[C@@H]2CCC[C@]2(NC(=O)CN2CCNC(=O)C2)C1 1098974134 HYFCKUFCDDDGSB-YOEHRIQHSA-N 318.421 -0.588 30 20 DBED C=CCN1CC[C@@H](NC(=O)CNC(=O)N2CCCC2)[C@H](O)C1 1099828952 BDMYPYIAGPKNEU-CHWSQXEVSA-N 310.398 -0.471 30 20 DBED CN(CCNC(=O)[C@H]1COCCN1C)c1ncccc1C#N 1100028361 QBRNNNLLDCVKLJ-CYBMUJFWSA-N 303.366 -0.164 30 20 DBED CC(C)(C)n1nnc(CC(=O)NCC2CC(NCC#N)C2)n1 1100356119 SSJKSFIWINAANZ-UHFFFAOYSA-N 305.386 -0.021 30 20 DBED C=CCNC(=O)[C@H](C)NC1CC(CNC(=O)Cn2nccn2)C1 1100370293 YXMNPSRQDIKJBH-HIFPTAJRSA-N 320.397 -0.547 30 20 DBED COCC(=O)N[C@H](C)C(=O)NCCN(C)c1cncc(C#N)n1 1100378374 LZVSTULBBCURQM-SNVBAGLBSA-N 320.353 -0.948 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCC1CC(NCC(=O)NC)C1 1100415219 FMMRKBKLGAEYSE-RUXDESIVSA-N 306.410 -0.686 30 20 DBED CCN(CCNC(=O)CNC(N)=O)c1ncc(C#N)cc1F 1100458708 MIYVPSZWBXKZNU-UHFFFAOYSA-N 308.317 -0.297 30 20 DBED CNC(=O)NCC(=O)NC[C@@H]1CCCN1c1cncc(C#N)n1 1100915189 NHWWONVMUSHUJD-NSHDSACASA-N 317.353 -0.638 30 20 DBED N#Cc1nccc(N2CC[C@@H](CNC(=O)CCCC(N)=O)C2)n1 1100988530 PBCKSRQOXOPQDG-NSHDSACASA-N 316.365 -0.054 30 20 DBED CN1C[C@@H](C(=O)N(C)CCN=c2cc[nH]cc2C#N)CC1=O 1102004016 AJTVAWZMNCCSQE-NSHDSACASA-N 301.350 -0.276 30 20 DBED C=CCN1C[C@@H](C)[C@H](CNC(=O)Cn2ccc(=O)n(C)c2=O)C1 1102022939 YYDPCAYXLPSSFU-CHWSQXEVSA-N 320.393 -0.583 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CCCCN(c2ccnc(C#N)n2)C1 1102854491 RIVMINZDZITYCE-LLVKDONJSA-N 316.365 -0.041 30 20 DBED C#CCNC(=O)CC(=O)N(C)[C@@H](C)CN=c1cc[nH]cc1C#N 1104530355 NFOWRKOYEHEREM-LBPRGKRZSA-N 313.361 -0.227 30 20 DBED C=CCNCc1cn(C2CN(C(=O)Cn3cccn3)C2)nn1 1105155475 GCQDQYKLOWDPDY-UHFFFAOYSA-N 301.354 -0.166 30 20 DBED C#CCNCc1cn(C2CN(C(=O)[C@H]3CCCOC3)C2)nn1 1105188183 QZCOIMMRBZRLTB-LBPRGKRZSA-N 303.366 -0.189 30 20 DBED C#CCNCc1cn(C2CN(C(=O)Cc3cc(C)on3)C2)nn1 1105195054 WTQDLTKRLPMJNY-UHFFFAOYSA-N 314.349 -0.077 30 20 DBED Cn1cncc1C(=O)N1CC(n2cc(CNCC#N)nn2)C1 1105278609 NDNYXSGQYRSWBX-UHFFFAOYSA-N 300.326 -0.678 30 20 DBED CN(CCN(C)c1cncc(C#N)n1)C(=O)[C@H]1CCC(=O)N1C 1105530068 JPXXLOFSIZJKHE-GFCCVEGCSA-N 316.365 -0.136 30 20 DBED CC#CCN[C@@H]1C[C@@]2(C[C@H]1O)CN(C(=O)C(N)=O)[C@@H]2C(C)C 1105653414 UPPKIGUAZZWYCF-BRXULGCHSA-N 307.394 -0.539 30 20 DBED C#CCN1CC(OC2CCN(C(=O)CCNC(=O)NC)CC2)C1 1105705286 FKNNXDVWLWXYSK-UHFFFAOYSA-N 322.409 -0.370 30 20 DBED CCn1nncc1C(=O)NC[C@@H](O)CNc1cncc(C#N)n1 1105822168 KREWVAKMOJOCLT-JTQLQIEISA-N 316.325 -0.838 30 20 DBED CCN(C)CCC(=O)NC[C@@H](O)CNc1cnc(C#N)cn1 1105943834 BYCVMKVJIISKPB-LBPRGKRZSA-N 306.370 -0.421 30 20 DBED N#Cc1nc(=NC[C@H](O)CNC(=O)C2(F)CCCC2)cc[nH]1 1106013306 HKHAJWVZGISZBD-JTQLQIEISA-N 307.329 -0.059 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](C)[C@H](CN[C@@H](C)COC)C1 1106034244 AOXXRYFFTXLHEI-HZSPNIEDSA-N 309.410 -0.155 30 20 DBED C#CCOCCC(=O)N1C[C@@H](C)[C@H](CNC[C@H](O)COC)C1 1106114711 HATRZFQLAKFKSF-KFWWJZLASA-N 312.410 -0.282 30 20 DBED C=CCN(CC=C)C(=O)CNC[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C 1106609277 VFXCRQLWJHHWJG-CHWSQXEVSA-N 322.409 -0.644 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)Cc1nnc(C)o1 1106749362 WIDNYYUWYILAFM-UHFFFAOYSA-N 315.337 -0.035 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)CC[C@H]2NC(=O)NC2=O)C[C@H]1C 1106962225 DIKFGTGGRWHNPI-JHJVBQTASA-N 320.393 -0.318 30 20 DBED CN1CCO[C@H](C(=O)NC/C=C\CNc2cnc(C#N)cn2)C1 1107094304 YRJNLJHBJMFZGZ-ZRMMWKCHSA-N 316.365 -0.237 30 20 DBED C=CCN1CC(n2cc(CNC(=O)Cc3ccnn3C)nn2)C1 1107164486 CRDOQZOFTXNIDA-UHFFFAOYSA-N 315.381 -0.087 30 20 DBED N#CCN1CC[C@@]2(CNC(=O)CN3CCOCC3=O)CCC[C@@H]12 1107436744 NHPPMCMECONGKV-CZUORRHYSA-N 320.393 -0.270 30 20 DBED Cc1cc(C#N)nc(NC/C=C/CNC(=O)[C@@H]2CNC(=O)N2)n1 1107492051 GCWVYIUWOGNDNW-VUDBWIFFSA-N 315.337 -0.578 30 20 DBED CC(=O)N1CC(C(=O)N[C@H](C)CNc2cncc(C#N)n2)C1 1107697356 LDCZQVTULMIHIN-SECBINFHSA-N 302.338 -0.257 30 20 DBED C[C@H](CN=c1cc[nH]cc1C#N)NC(=O)[C@@H]1CCCS1(=O)=O 1107773673 VRRGZEWTGUNROI-MFKMUULPSA-N 322.390 -0.131 30 20 DBED C[C@@H](CN=c1cc[nH]cc1C#N)NC(=O)CN1CCCC1=O 1108247118 HBFYKDYYDBMHKX-NSHDSACASA-N 301.350 -0.086 30 20 DBED Cc1cc(C#N)nc(NC[C@H](C)NC(=O)[C@@H]2COCCN2C)n1 1108319654 BMZPFONUJSDFBZ-AAEUAGOBSA-N 318.381 -0.096 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)C(C)(C)C(N)=O)CC2=O)C1 1108553448 MNYAYESFESULPI-SNVBAGLBSA-N 308.382 -0.915 30 20 DBED C[C@@H](CN(C)c1cncc(C#N)n1)NC(=O)C[C@@H]1CCC(=O)N1 1109008512 QLGOWQUVVQSYOL-QWRGUYRKSA-N 316.365 -0.042 30 20 DBED N#Cc1nccnc1NC1(CNC(=O)[C@H]2CCC(=O)NC2)CC1 1110402570 SWTMLBDUGMBDIX-JTQLQIEISA-N 314.349 -0.065 30 20 DBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H]1COC(=O)N1 1110506150 IIIONZYJZBBCOF-KKOKHZNYSA-N 322.365 -0.882 30 20 DBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H](C)CC(N)=O 1110894191 YMZCAFVBFCHFIS-LOWDOPEQSA-N 322.409 -0.478 30 20 DBED CCCOCC(=O)NC[C@]1(O)CCN(c2ccnc(C#N)n2)C1 1111037424 BHBDZRQNGYIJFB-OAHLLOKOSA-N 319.365 -0.168 30 20 DBED N#Cc1nccnc1NCCN(CCO)C(=O)Cn1cccn1 1111418225 DWSGUZXCRVMFFW-UHFFFAOYSA-N 315.337 -0.522 30 20 DBED CN(CCCN(C)c1cnc(C#N)cn1)C(=O)CCNC(N)=O 1112089973 JDOCJECHCPDYQY-UHFFFAOYSA-N 319.369 -0.309 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CCN(c2nccnc2C#N)[C@@H](C)C1 1112469431 LCARHJOHKRHMSG-WDEREUQCSA-N 316.365 -0.042 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)[C@H]2CCC(=O)NC2)CC1 1113057088 BSSXFHGFVSNIBL-STQMWFEESA-N 322.409 -0.653 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)c2conc2C)CC1 1113287661 PEWQHMAYGSRWGL-LBPRGKRZSA-N 304.350 -0.121 30 20 DBED C#CCO[C@H](C)C(=O)NC1[C@@H]2CN(Cc3cnn(C)n3)C[C@@H]12 1114270681 JHJWKESJRSNAFP-RAIGVLPGSA-N 303.366 -0.600 30 20 DBED C[C@@H](CCCN=c1cc[nH]c(C#N)n1)NC(=O)[C@H](C)CC(N)=O 1115047203 DQHRZIKUENHEIM-MNOVXSKESA-N 318.381 -0.022 30 20 DBED COC[C@H]1CCCN1C(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1118947483 HQQDFXVDCDBVJW-KGLIPLIRSA-N 320.393 -0.177 30 20 DBED C=CCN(C)c1nnnn1C[C@@]1(OC)CCS(=O)(=O)C1 1120239173 QKRQKJIWFKJVES-NSHDSACASA-N 301.372 -0.501 30 20 DBED CN1CCOC[C@@H]1C(=O)NC[C@H](CO)Nc1ncccc1C#N 1121345875 HIWDCXYTAZHVKK-CHWSQXEVSA-N 319.365 -0.827 30 20 DBED Cc1ccc(C(=O)NC[C@@H](CO)Nc2nccnc2C#N)nn1 1121445833 FFLCWPGBFKTVDL-JTQLQIEISA-N 313.321 -0.351 30 20 DBED N#Cc1nc(=N[C@H](CO)CNC(=O)c2ccns2)cc[nH]1 1122122072 UONDVAHCPRPSKG-QMMMGPOBSA-N 304.335 -0.571 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1 1122594588 UFCQTWIGPHWXAV-UTUOFQBUSA-N 317.349 -0.750 30 20 DBED Cc1c[nH]nc1C(=O)N(C)C[C@@H](O)CN=c1cc[nH]c(C#N)n1 1124283104 FVHGHSVMXKHBNZ-JTQLQIEISA-N 315.337 -0.653 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)[C@@H]1CCCCO1 1124310250 PTBQLGYEAAHCHC-RYUDHWBXSA-N 319.365 -0.430 30 20 DBED CC#CCN1CCn2ncc(CNC(=O)[C@H](C)NC(C)=O)c2C1 1128173072 ZDWCPGVAFGEOBE-LBPRGKRZSA-N 317.393 -0.137 30 20 DBED C#CCCN1CCn2ncc(CNC(=O)[C@H](C)NC(C)=O)c2C1 1128178863 YQDCVOWLFRBIEY-LBPRGKRZSA-N 317.393 -0.137 30 20 DBED CC(=O)N[C@H](C)C(=O)N1C[C@@H](NCC#N)[C@H](c2cncn2C)C1 1130908281 FBCFEKLYRKMWKD-RAIGVLPGSA-N 318.381 -0.648 30 20 DBED C#CCCN1C[C@H]2C[C@@H]3CN(C(=O)CNC(=O)NC)C[C@@]3(C1)O2 1131238391 VMUPTYRVMWILEX-XJKCOSOUSA-N 320.393 -0.760 30 20 DBED C#CCN1CC[C@]2(C1)CN(C(=O)CC(=O)NCC)C[C@H](C)O2 1131652625 LOJRHORQQQNIOE-BBRMVZONSA-N 307.394 -0.162 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)c2coc(OC)n2)C1=O 1131924898 JDALSWCNULDWKH-SNVBAGLBSA-N 308.338 -0.211 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)Cn2ncnn2)CC[C@@H]1C 1132823655 JZOBJJLYYKINRV-UONOGXRCSA-N 320.397 -0.603 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)[C@H]2CCCCC(=O)N2)C1=O 1133681133 ISWWPVGBBRAGBA-CHWSQXEVSA-N 322.409 -0.462 30 20 DBED C=C(C)CN(CC)C(=O)CNCCNC(=O)[C@H]1C[C@H]1C(N)=O 1133944053 ZSQZEQVJEJSMDS-NEPJUHHUSA-N 310.398 -0.762 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1nc(C)ncc1Cl 1134839099 OGHMSQBRQLUQPQ-VIFPVBQESA-N 323.784 -0.104 30 20 DBED C=CCCn1cc(C(=O)NCCN[C@@H]2CCN(CC)C2=O)nn1 1135075774 YTQKXHFOIRVBRD-GFCCVEGCSA-N 320.397 -0.206 30 20 DBED COCC#CCN[C@@H](C)C[C@H](C)NC(=O)CN1C(=O)CNC1=O 1136127594 RSLOLWGBILRXHS-RYUDHWBXSA-N 324.381 -0.939 30 20 DBED COCC#CCN[C@H](C)C[C@H](C)NC(=O)c1cn(C)c(=O)n1C 1146673307 XPIGYIAWQFGMNQ-OLZOCXBDSA-N 322.409 -0.140 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1cnn(CC2CC2)c1 1146934239 XELOGZIVWUCVIW-UHFFFAOYSA-N 304.354 -0.748 30 20 DBED COCC#CCN1CCCO[C@@H](CNC(=O)[C@@H]2CCCN2C)C1 1149400277 VOJUKBMLSJRISW-HOTGVXAUSA-N 323.437 -0.063 30 20 DBED N#CCNC(=O)CNCCNC(=O)CCCOc1cccnc1 1151757231 VJDSJEHYIADMIQ-UHFFFAOYSA-N 319.365 -0.414 30 20 DBED C#CCNC(=O)CC(=O)NCCCNCC(=O)NCC1CCC1 1156853020 UYWCEAKSVZBJHZ-UHFFFAOYSA-N 322.409 -0.862 30 20 DBED COCC#CCN(C)C[C@H]1CCCCN1C(=O)[C@@H]1CNC(=O)N1 1158419113 KSNACJOGDHHJQU-KGLIPLIRSA-N 322.409 -0.370 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)[C@H](C)NC(=O)CC)C1=O 1158644886 FBHUVBRRSCZYGC-QWHCGFSZSA-N 324.425 -0.216 30 20 DBED COCC#CCNCCCNC(=O)C1(N2CCOCC2)CCC1 1169775862 VXTFSSYDKJAHPT-UHFFFAOYSA-N 323.437 -0.013 30 20 DBED CNC(=O)CC(=O)N[C@@H](C)CCCCNCC(=O)NCC#N 1170363078 IUJABABBPCFTOK-NSHDSACASA-N 311.386 -0.973 30 20 DBED C#CCNCCCC[C@H](C)NC(=O)CCn1ncn(C)c1=O 1171913416 VZYYQRAHWWGBFN-ZDUSSCGKSA-N 307.398 -0.130 30 20 DBED C[C@@H](CCCCNCC(=O)NCC#N)NC(=O)Cn1ccnc1 1176828517 BUJNXVUORBFZRL-ZDUSSCGKSA-N 320.397 -0.213 30 20 DBED COCC[C@H](C)C(=O)N1CC[C@H](NCC(=O)NCC#N)[C@@H]1C 1180175049 VLPHRZKNHFVKNC-AVGNSLFASA-N 310.398 -0.122 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)COc2cc(C)on2)C1 1183414843 UMYGYOLFZVRYQZ-GFCCVEGCSA-N 322.365 -0.145 30 20 DBED C[C@@H]1CN(C(=O)c2cn(C)c(=O)n2C)C[C@@]1(C)CNCC#N 1183528673 UBOUSTXSXGTSOL-IAQYHMDHSA-N 305.382 -0.065 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)CC[C@@H]1CNCC(=O)NC(N)=O 1184369516 GANWFKQWZXHTAZ-DGCLKSJQSA-N 320.393 -0.331 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3cc(C)on3)[C@@H]2C1 1186750096 VLFYHIJBQXPLFH-GXTWGEPZSA-N 316.361 -0.121 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)CCC(=O)NCCC)C1 1187194205 SNLQOWWONGWHKP-CYBMUJFWSA-N 324.425 -0.215 30 20 DBED C=CCNC(=O)CN1C[C@@H]2CCN(C(=O)[C@@H]3CCN(C)C3)[C@@H]2C1 1190157473 KVVUMJRZVVDKKR-RRFJBIMHSA-N 320.437 -0.227 30 20 DBED C=CCOCCN(C)[C@H]1CCN(C(=O)[C@H]2CN(C)C(=O)N2)C1 1191721606 YUJKCHBATJSPCC-QWHCGFSZSA-N 310.398 -0.255 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1 1191999390 USFQKDYAGMMCFO-NSHDSACASA-N 319.365 -0.782 30 20 DBED COCC#CCN(C)[C@H]1CCN(C(=O)CCc2cnn(C)n2)C1 1192378739 XSWNNVPFLKEQCZ-HNNXBMFYSA-N 319.409 -0.070 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(CC2CCOCC2)C[C@H]1O 1192899669 TXYGPRIYEKGDBQ-NWANDNLSSA-N 310.394 -0.387 30 20 DBED C=C(Cl)C(C)(C)C(=O)N[C@@H]1CN([C@@H]2CCNC2=O)C[C@H]1O 1193313032 XLAMVXILVDZYJC-GMTAPVOTSA-N 315.801 -0.185 30 20 DBED C=CCn1cccc1C(=O)N[C@@H]1CN(C[C@H](O)COC)C[C@H]1O 1193781714 NJRVZGKHFTYEPI-GZBFAFLISA-N 323.393 -0.544 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCCN(CC(=O)NC2CC2)CC1 1195791684 IUUSEDKJWPPKLJ-ZDUSSCGKSA-N 307.394 -0.162 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)C2(NC(N)=O)CCCCC2)C1 1196623881 OHBFELBRTQVKLZ-CHWSQXEVSA-N 322.409 -0.458 30 20 DBED C[C@@H]1C[C@@H](C(=O)N2CCCN(CC(=O)NCC#N)CC2)CCO1 1197560399 QKTDYOMXQPBZRM-KGLIPLIRSA-N 322.409 -0.024 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@H](CC(C)C)NC(C)=O)C1 1197974464 NIZOWDCKAAQXSC-RRFJBIMHSA-N 309.410 -0.278 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCC(NC[C@H](O)COC)CC1 1200334707 SATSZJQPNMVXKS-ZFWWWQNUSA-N 300.399 -0.099 30 20 DBED C#CCCNC1CCN(C(=O)CN(C)S(C)(=O)=O)CC1 1200878230 IQSGRYUXOFWCEQ-UHFFFAOYSA-N 301.412 -0.518 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)c2c[nH]c(C(N)=O)c2)CCCO1 1202078907 JMESKGCJANXYFY-CYBMUJFWSA-N 318.377 -0.042 30 20 DBED C=CCCNC[C@@H]1CN(C(=O)CS(=O)(=O)NC)CCCO1 1202089015 ZZWLIIQEIDNUEE-GFCCVEGCSA-N 319.427 -0.681 30 20 DBED C=CCOCCN[C@@H]1C[C@H](NC(=O)Cn2cnnn2)C12CCC2 1202382401 FKXBUUPTHNYBOG-OLZOCXBDSA-N 320.397 -0.107 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)Cn2ccc(C)n2)[C@H](C)C1 1208690909 AYAJBBGYHHJRHZ-TZMCWYRMSA-N 317.393 -0.623 30 20 DBED COCC#CCN[C@H]1CCCN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 1209650082 BYJTXTCQVAMVCH-ZNMIVQPWSA-N 321.421 -0.059 30 20 DBED C[C@@H]1CN(C(=O)CCS(=O)(=O)N(C)C)C[C@H]1NCC#N 1216824585 BENMZTWMMFGZAO-GHMZBOCLSA-N 302.400 -0.772 30 20 DBED COCC(=O)N[C@@H]1CN(Cc2ccc(OCC#N)cc2)C[C@@H]1O 1219089760 SIYDBNNNLVDAHG-CABCVRRESA-N 319.361 -0.103 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)c2ccsn2)C1 1219858380 OWGPHOJDIRASKF-WCQGTBRESA-N 324.406 -0.391 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)[C@H](C)CS(C)(=O)=O)C1 1221099250 GKNBJLHFUPMIQP-UTUOFQBUSA-N 304.412 -0.596 30 20 DBED C#CCO[C@H](C)C(=O)NCC1CCN(C[C@@H](O)COC)CC1 1223182441 DVWRJYGZEQWENF-UKRRQHHQSA-N 312.410 -0.140 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)[C@H]2CCN(C)C2)CC1 1225428240 YYHCOTPJRLZFFR-HNNXBMFYSA-N 320.437 -0.484 30 20 DBED C=C[C@](C)(O)CC(=O)NCC[C@H]1CN(CC)CCS1(=O)=O 1230455006 KKDFRGVDMJQQAX-JSGCOSHPSA-N 318.439 -0.061 30 20 DBED CCC(=O)N[C@@H](C)C(=O)N(C)C[C@H]1CCN1CC(=O)NCC#N 1234489699 MOJDMJZFFMBENA-NWDGAFQWSA-N 323.397 -0.926 30 20 DBED C#CCCCCNC(=O)C(=O)N1CCC[C@H](S(C)(=O)=O)C1 1259791622 WBRQZPWBDMCAAF-LBPRGKRZSA-N 314.407 -0.058 30 20 DBED COCC#CCNC[C@H]1CCCCN1C(=O)[C@H]1CN(C)C(=O)N1 1317190073 VARRSDJZHBEPKC-ZIAGYGMSSA-N 322.409 -0.370 30 20 DBED C=CC[C@@H](CO)CNC(=O)C(=O)Nc1ccn(CCOC)n1 1320609378 GKJVWODJRMLEFR-LLVKDONJSA-N 310.354 -0.231 30 20 DBED CCOC(=O)CNC(=O)C1CCN(CC(=O)NCCC#N)CC1 1322867784 BCLRDQLKMZETHB-UHFFFAOYSA-N 324.381 -0.592 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCC(CC(=O)OCC)CC1 1323699438 UATFVEURRHYTBP-UHFFFAOYSA-N 324.377 -0.056 30 20 DBED COCCCN(CCO)C(=O)C(=O)N1CCC[C@@](C)(C#N)C1 1325368093 CJCHAGMMFCHZER-HNNXBMFYSA-N 311.382 -0.004 30 20 DBED C=C(CC)CNC(=O)C(=O)N1CCC[C@H]1CS(=O)(=O)NC 1326390325 FHKNZONJMUFDCN-NSHDSACASA-N 317.411 -0.391 30 20 DBED CC[C@@]1(CO)CCCN1C(=O)C(=O)N1CC[C@](O)(CC#N)C1 1327024599 OGSXCETZSQEZHK-LSDHHAIUSA-N 309.366 -0.373 30 20 DBED COC(=O)N(C)CCNC(=O)C(=O)Nc1ccc(C#N)cn1 1327405256 BLUZNODIENJLIQ-UHFFFAOYSA-N 305.294 -0.294 30 20 DBED C=CC[C@@H]1CCCN(C(=O)C(=O)NCCN2C(=O)CNC2=O)C1 1327984815 BGWJBMVYYKGAPE-LLVKDONJSA-N 322.365 -0.531 30 20 DBED C#CCN(C(=O)C(=O)NCCCS(=O)(=O)CC)C(C)C 1333132765 ARCQGADRMBEQKY-UHFFFAOYSA-N 302.396 -0.202 30 20 DBED C[C@]1(O)CCN(C(=O)C(=O)NCCNc2ncccc2C#N)C1 1345022701 RNYBHTIZCUZDCI-HNNXBMFYSA-N 317.349 -0.535 30 20 DBED C=CCN1CC[C@@H](OC(=O)[C@@]2(OC)CCS(=O)(=O)C2)C1=O 1353348994 PYCMOCDNGMYIRP-ZWNOBZJWSA-N 317.363 -0.480 30 20 DBED COC[C@H]1CCCN(C(=O)Cn2cc(C#N)c(O)nc2=O)C1 1362096821 NFJHLYMUUILNKL-JTQLQIEISA-N 306.322 -0.294 30 20 DBED Cc1cc(CNC(=O)CCn2cc(C#N)c(O)nc2=O)n[nH]1 1362153353 PMTWGNAEFZNGPO-UHFFFAOYSA-N 302.294 -0.441 30 20 DBED N#Cc1ccnc(C(=O)NCC(=O)NCCN2CCOCC2)c1 1362232718 CBCFZBZCIYZFFO-UHFFFAOYSA-N 317.349 -0.869 30 20 DBED C[C@H](CNC(=O)c1cn(C)nn1)N(C)C(=O)c1ccc(C#N)[nH]1 1369834004 OLOQUKWYYKKFLI-SECBINFHSA-N 315.337 -0.095 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CCN(C(=O)c2cnc(O)n2C)C1 1373168730 KHNSAMAAOBIUCW-UWVGGRQHSA-N 305.338 -0.136 30 20 DBED CCCN(CCNC(=O)[C@@H]1CC(=O)N(C)C1)C(=O)[C@@H](C)C#N 1374136208 OVQVKEZXQRMHIV-NWDGAFQWSA-N 308.382 -0.021 30 20 DBED Cn1nccc1C(=O)NC[C@H](O)CNC(=O)c1cc(C#N)c[nH]1 1376550206 WNTMNTBFFGHGKK-SNVBAGLBSA-N 316.321 -0.859 30 20 DBED C=C(Cl)CN(C)CCCN(C)C(=O)CN1CCNC(=O)C1 1376965471 KDAUWMGRVPATHD-UHFFFAOYSA-N 316.833 -0.049 30 20 DBED CC(=O)N1CC(C(=O)N2CC[C@@](C)(CNC(=O)[C@H](C)C#N)C2)C1 1379850471 ZISPFKPOJDWCHG-BZNIZROVSA-N 320.393 -0.021 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@@H](CNC(=O)c2cnn(C)c2N)C1 1384946259 MXSYIDDYLWYGIU-BBBLOLIVSA-N 304.354 -0.213 30 20 DBED CC(=O)NCC(=O)N1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 1414496029 WOBQPHOJVWNYNQ-UHFFFAOYSA-N 303.322 -0.693 30 20 DBED CN1CC[C@H](N2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)C1=O 1415113738 NMMRRGYMQUJVBG-ZDUSSCGKSA-N 301.350 -0.125 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]1CNC(=O)CCN1CCCC1=O 1417026737 SAUCECJILISOAC-NWDGAFQWSA-N 306.366 -0.124 30 20 DBED N#Cc1ccccc1CN1CC(CNC(=O)Cn2cnnn2)C1 1421175337 LTOCFSHUQBMXQQ-UHFFFAOYSA-N 311.349 -0.207 30 20 DBED CCCS(=O)(=O)CC(=O)NCC1CN(C(=O)[C@H](C)C#N)C1 1430388470 UYLIDVHHAAILIL-SNVBAGLBSA-N 315.395 -0.455 30 20 DBED CC(C)C[C@H](CNC(=O)[C@@H](C)C#N)NC(=O)C1(NC(N)=O)CC1 1433012630 CHGOILNCMJPJIS-WDEREUQCSA-N 323.397 -0.006 30 20 DBED CC[C@](C)(CCO)NC(=O)CCn1cc(C#N)c(O)nc1=O 1433874404 ISUDBXGGCJEVQY-CQSZACIVSA-N 308.338 -0.122 30 20 DBED CCN(CCNC(=O)[C@H](C)C#N)C(=O)c1cn(C)c(=O)nc1O 1449498229 PJTMQXJDLAEAKK-SECBINFHSA-N 321.337 -0.776 30 20 DBED C[C@@H](CN(C)C(=O)c1cnnn1C)NC(=O)c1cc(C#N)c[nH]1 1451016521 BGPZEXMBSAAYDO-VIFPVBQESA-N 315.337 -0.095 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]1CN(C)C(=O)CCn1ccnn1 1452850622 XMWRRNKUTKDAEF-RYUDHWBXSA-N 304.354 -0.113 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)c2coc(C(N)=O)c2)C1 1454339374 AJYBPLQCYMNDNB-HGNGGELXSA-N 304.306 -0.085 30 20 DBED Cc1nnc(CN2CC(O)(CNC(=O)c3cc(C#N)c[nH]3)C2)o1 1500809806 JAJJFFRWQKBOJK-UHFFFAOYSA-N 316.321 -0.446 30 20 DBED C#CCCN(CCOC)c1nnc(CS(C)(=O)=O)n1C 1519573869 MDRHDSKFXXRBDH-UHFFFAOYSA-N 300.384 -0.164 30 20 DBED C=CCOCc1nnc(N(C)CCNS(C)(=O)=O)n1CC 1520927185 QQPZAJKQWLFECH-UHFFFAOYSA-N 317.415 -0.014 30 20 DBED CCN(CCNC(=O)[C@@H](C)C#N)C(=O)[C@H]1COCCN1CC 1529070274 VPAIWZNAXZYXPC-QWHCGFSZSA-N 310.398 -0.169 30 20 DBED N#Cc1ccc(C(=O)NC2(CNC(=O)[C@@H]3COCCO3)CC2)[nH]1 1535133008 BJIYFDVICQLLNY-LBPRGKRZSA-N 318.333 -0.320 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H]1C[C@H](N=c2cc[nH]c(C(=O)O)n2)C1 1573311221 KCZLYRLRYZQWPS-DCAQKATOSA-N 318.333 -0.306 30 20 DBED Cn1cc(C#N)c(NC(=O)N[C@@H]2CN(C(=O)O)C[C@@H]2CO)n1 1574211184 CZWIBIJTBRHALU-RKDXNWHRSA-N 308.298 -0.616 30 20 DBED CC(C)(C)OC(=O)C1=NO[C@H](C(=O)N2CCNC[C@H]2C#N)C1 1575153066 NAHDITKJTCAAEY-KOLCDFICSA-N 308.338 -0.203 30 20 DBED C[C@H]1CN(CCO)CCN1c1cnc(-c2nn[nH]n2)c(C#N)n1 1576360567 LQZOZYLTKGLGKA-VIFPVBQESA-N 315.341 -0.969 30 20 DBED C=C(CCC(=O)O)C(=O)NCCCn1c(=O)ccn(C)c1=O 1588624348 FZYQVNSILYWYDI-UHFFFAOYSA-N 309.322 -0.526 30 20 DBED Cc1ccc(-c2nn[nH]n2)cc1C(=O)N[C@@H]1CCN(O)C1=O 1592096949 GBYDMBVVRXUXRF-SNVBAGLBSA-N 302.294 -0.105 30 20 DBED C[C@H]1C[C@@H](CO)CN(c2cnc(-c3nn[nH]n3)c(C#N)n2)C1 1603850958 OIGRDRHCBDETKU-DTWKUNHWSA-N 300.326 -0.017 30 20 DBED N#Cc1c[nH]ccc1=NC(=O)[C@@H]1CCCN(CC(=O)O)C1=O 1605626795 OPEVQZMJNLXRRR-JTQLQIEISA-N 302.290 -0.363 30 20 DBED N#Cc1ccc(S(=O)(=O)N2CCC[C@H](O)[C@H]2C(=O)O)o1 1610630403 YNKIKPNHGFGMCJ-WPRPVWTQSA-N 300.292 -0.250 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)C2=CCOCC2)C1 1661301533 DFVLZHDIFFNIKQ-OCCSQVGLSA-N 305.378 -0.339 30 20 DBED CC#CCN[C@@H](CNC(=O)[C@@H]1CCS(=O)(=O)N1)C(C)C 1753842373 JTOHWLLXODDDEE-RYUDHWBXSA-N 301.412 -0.568 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)CCN(C)C(=O)CN1CCCC1=O 1753846812 MNVOFPUTQJIODC-CYBMUJFWSA-N 322.409 -0.863 30 20 DBED CN(CCN(C)C(=O)c1ncccc1F)CC(=O)NCC#N 1753866717 QIFDYWSCLDKCFG-UHFFFAOYSA-N 307.329 -0.136 30 20 DBED C=CCN1CC[C@H](NC[C@@H](O)CNC(=O)c2ncoc2C)C1=O 1753907019 INNZPZDPKDTHNE-NEPJUHHUSA-N 322.365 -0.550 30 20 DBED C=C1CCC(C(=O)NC[C@H](O)CNCCS(C)(=O)=O)CC1 1753926665 ZIADEYYSLIIQDY-CYBMUJFWSA-N 318.439 -0.156 30 20 DBED CCc1ncncc1C(=O)N[C@H](C)CCNCC(=O)NCC#N 1754022823 JUABLYUURDZOIS-LLVKDONJSA-N 318.381 -0.223 30 20 DBED COCC#CCNC[C@@H](C)NC(=O)c1c(C)c[nH]c1CC(N)=O 1754243067 ZIITXTMXUIVAFM-GFCCVEGCSA-N 320.393 -0.291 30 20 DBED CN(C(=O)C[C@]1(C)CCS(=O)(=O)N1)C1CN(CC#N)C1 1754586469 QXRQKDRDTKMTAG-LBPRGKRZSA-N 300.384 -0.876 30 20 DBED C#CCCCC(=O)NC[C@@]1(O)CCN([C@H]2CCN(CC)C2=O)C1 1754748696 LHRNJEMBDOWWRL-YOEHRIQHSA-N 321.421 -0.036 30 20 DBED COCC#CCN1CC[C@@](O)(CNC(=O)c2ccsn2)C1 1754753696 IUFPHCJRLOPACN-CQSZACIVSA-N 309.391 -0.041 30 20 DBED C=C(C)CN1CC(O)(CNC(=O)[C@]23C[C@H]4C[C@H](C(=O)N2)[C@H]3C4)C1 1754769825 NJOLJJXBHGUMHF-APNQJHFZSA-N 319.405 -0.360 30 20 DBED C=CCNC(=O)[C@H](C)NC[C@@H]1CN(C(=O)c2ccon2)CCO1 1754994460 JFJDWAHDERSNKG-NWDGAFQWSA-N 322.365 -0.204 30 20 DBED C#CCN[C@H](C)[C@@H]1CN(C(=O)CCN2C(=O)CCC2=O)CCO1 1755443079 AMNLHPYOVJJRGP-OLZOCXBDSA-N 321.377 -0.636 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H](CO)NCc1cc(C)on1 1755630061 AELMBTASXJCCCG-CABCVRRESA-N 320.393 -0.353 30 20 DBED C#CCN[C@@H]1C[C@@H](C)N(C(=O)CS(=O)(=O)NC(C)(C)C)C1 1755694926 XFLIMIGGTVPSAS-VXGBXAGGSA-N 315.439 -0.084 30 20 DBED C#Cc1ccc(C(=O)N[C@H](C)[C@@H](C)NC(=O)CC(N)=O)cn1 1755957505 CPUQQFJJWWWIOR-NXEZZACHSA-N 302.334 -0.439 30 20 DBED C=C[C@@](C)(O)CC(=O)N(C)C[C@H](C)NC(=O)CN(C)C(C)=O 1756448297 QAWNNAJJDWSBCG-XHDPSFHLSA-N 313.398 -0.245 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H](C)CN(C)C(=O)C1(C(N)=O)CC1 1756488924 QNARYVHHDGRHLV-HZMBPMFUSA-N 311.382 -0.458 30 20 DBED C=CCCCC(=O)N[C@@H](CO)CNC(=O)[C@H]1CCCNC1=O 1756528013 MKFLFADXAUJPKH-NEPJUHHUSA-N 311.382 -0.538 30 20 DBED CC(C)C#CC(=O)NC[C@@H](O)CN(C)C(=O)CC1(O)CCC1 1756661726 DEEDZGBULGTWJV-CYBMUJFWSA-N 310.394 -0.114 30 20 DBED C=C(C)C(C)(C)C(=O)N(C)C[C@H](O)CNC(=O)Cc1nc[nH]n1 1756672590 ZJHARWIZRWWRNE-LLVKDONJSA-N 323.397 -0.115 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@H](O)[C@H](NC(=O)Cc2ccco2)C1 1757202157 IVGQBAMURFRCHE-YUTCNCBUSA-N 320.345 -0.452 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)CCc1ncc[nH]1)CCO2 1783054001 QETMLQJJWLCMSK-INIZCTEOSA-N 316.361 -0.195 30 20 DBED CC(C)CC(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783561204 KBRLEBBWOIOTER-INIZCTEOSA-N 322.361 -0.050 30 20 DBED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccnn3)C[C@@H]21 1790792881 ZRRVPCAYGZAQRM-OBJOEFQTSA-N 314.345 -0.297 30 20 DBED C#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)O)[C@H]2C1 1791054323 AHWPBXNVMUBDLY-RFGFWPKPSA-N 308.378 -0.240 30 20 DBED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(=O)C1CC1)C2 1802016635 UIRNMYFWSJBLFV-AGGWBTHJSA-N 318.373 -0.032 30 20 DBED C=CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C(O)O)CC2 1826047607 JHSNFPHSRPIMKW-ZETCQYMHSA-N 311.363 -0.058 30 20 DBED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)CC(=O)NC)C1 1841560497 WASLSKDZFYXCLW-GFCCVEGCSA-N 321.377 -0.636 30 20 DBED Cn1cnc(C(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)c1 1846195156 ICRZPGDQWCIYSD-UHFFFAOYSA-N 316.317 -0.675 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CNC(C)=O 1847804274 GNZOBNUNZDUDAM-XBFCOCLRSA-N 321.377 -0.637 30 20 DBED CC(=O)NCC1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC1 52314469 KRQIVTFUSLRHTA-UHFFFAOYSA-N 319.365 -0.692 30 20 DBED CCN(C[C@H](C)C#N)C(=O)CN1CCN(CC(=O)N(C)C)CC1 76648307 RHIJCEPUGXERQV-CQSZACIVSA-N 323.441 -0.300 30 20 DBED C#CCN(CCO)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 127733782 NJYRYSVYSZNPBC-UHFFFAOYSA-N 314.345 -0.401 30 20 DBED N#Cc1ccnc(N2CCN(C(=O)C[C@H]3CNCCO3)CC2)c1 269114994 SMAOUTXAJXBMRI-AWEZNQCLSA-N 315.377 -0.020 30 20 DBED C=CCNC(=O)CNC(=O)CCOc1cccc(C(N)=O)c1 271950942 BURIEXDDZOLREV-UHFFFAOYSA-N 305.334 -0.027 30 20 DBED CC#CCNC(=O)[C@@](C)(O)CN1C(=O)NC2(CCCC2)C1=O 281343578 WGVXNFYBHDGRNI-AWEZNQCLSA-N 307.350 -0.259 30 20 DBED CC[C@@](C)(C#N)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 285338099 OYXOXRJQQIBZIW-ZDUSSCGKSA-N 305.342 -0.716 30 20 DBED COC(=O)[C@H]1COCCN1S(=O)(=O)c1ccc(C#N)o1 288079608 JTMWMYZGJILFPW-SECBINFHSA-N 300.292 -0.286 30 20 DBED C=CCCCS(=O)(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)O 291889750 OLEYUVSOVLNKMG-SECBINFHSA-N 311.381 -0.534 30 20 DBED N#CCN(CC#N)C(=O)CCNS(=O)(=O)c1cccnc1 299617970 DLAICRHHEOGWAP-UHFFFAOYSA-N 307.335 -0.374 30 20 DBED O=S(=O)(NCC/N=C(/O)[C@H]1COCCO1)c1cccnc1 328926479 OVRLXJRIYAMZCH-LLVKDONJSA-N 315.351 -0.268 30 20 DBED O=C(CC/N=C(/O)N1C[C@@H]2CC[C@H](O)[C@H]2C1)N1CCOCC1 329577722 SVOLSNFBZXUXLK-AVGNSLFASA-N 311.382 -0.148 30 20 DBED CN1CCO[C@@H]2CN(S(=O)(=O)c3ccc(C#N)nc3)C[C@H]21 329907244 KSVHSNASEGTYIV-CHWSQXEVSA-N 308.363 -0.343 30 20 DBED C[C@H](C/N=C(/O)N[C@H]1CC(=O)N(C)C1)CN1CCN(C)CC1 329942461 VOEQJSTZHVVVBV-OLZOCXBDSA-N 311.430 -0.396 30 20 DBED CCCNC(=O)CC/N=C(/O)N[C@H]1CCCS(=O)(=O)C1 330842830 KKLKDCUHVHHLQB-JTQLQIEISA-N 305.400 -0.017 30 20 DBED CC(C)(C)n1cnc(N/C(O)=N/CCNS(C)(=O)=O)n1 330857585 ZUXNVWUOALXNOE-UHFFFAOYSA-N 304.376 -0.092 30 20 DBED CC(=O)N1CCN(C(=O)CCNC(=O)C2(C#N)CCC2)CC1 331400888 GYQPQEDZLFWLAH-UHFFFAOYSA-N 306.366 -0.123 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N1CCC[C@H](OCCO)C1 337777352 QVBLNQVWKONGIL-NEPJUHHUSA-N 305.400 -0.062 30 20 DBED CC[C@H](C)NC(=O)[C@@H](C)NC(=O)NCCn1cnc(C#N)n1 344618384 VBEITCIBPNYADM-VHSXEESVSA-N 307.358 -0.248 30 20 DBED N#Cc1ncccc1S(=O)(=O)N1CCN2C(=O)OC[C@@H]2C1 364374098 LKALNXFJVLPPKF-VIFPVBQESA-N 308.319 -0.222 30 20 DBED COC(=O)[C@H]1CN(C)CCN(C(=O)Cc2noc(C)c2C#N)C1 413899741 KBDNKAVODJWSHG-NSHDSACASA-N 320.349 -0.040 30 20 DBED N#Cc1ncn(CC(=O)N2CCN(CC(=O)C3CC3)CC2)n1 426733257 MBFHALHBFCWASD-UHFFFAOYSA-N 302.338 -0.727 30 20 DBED COC(=O)[C@H](CN1CCOCC1)NS(=O)(=O)CCCC#N 562528282 IUPIASXWDLDFFB-NSHDSACASA-N 319.383 -0.917 30 20 DBED COc1ncnc(N(C)C)c1NC(=O)C(=O)NCC1(C#N)CC1 579907815 FSWZSBIQKKOXDW-UHFFFAOYSA-N 318.337 -0.090 30 20 DBED CCN(CCC#N)C(=O)CN1[C@H]2C[C@H]3[C@H]([C@@H]2O)[C@@H]2C[C@H]3[C@H](O)[C@@H]21 581432971 RAAIAGMXMIGHNB-QLIYMYOWSA-N 319.405 -0.191 30 20 DBED CC(=O)NCCCNCCS(=O)(=O)c1ccc(C#N)cn1 581453881 FEAHGSUVESLLIZ-UHFFFAOYSA-N 310.379 -0.157 30 20 DBED N#Cc1ccc(S(=O)(=O)CCNCC(=O)N2CCCC2)nc1 591724037 ZOYXLAUJEXEKAM-UHFFFAOYSA-N 322.390 -0.061 30 20 DBED CN(C)CCCN(CCC#N)C(=O)Cn1cnc(C(N)=O)n1 593418939 NVYJTQAJPVUJBV-UHFFFAOYSA-N 307.358 -0.929 30 20 DBED N#CCN1CCN(C(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)CC1 597274096 NEWAMXPLDVXUBG-ZIAGYGMSSA-N 303.366 -0.044 30 20 DBED C=C[C@@](C)(O)C(=O)N[C@H]1CCCN(CCN2CCOCC2)C1 641671441 VTNQTPJUFCHQNC-GOEBONIOSA-N 311.426 -0.164 30 20 DBED C=C(C)CN(CC)C(=O)C(=O)NCc1nc(O)cc(CN)n1 659748300 HFJDVMHZZXNGPR-UHFFFAOYSA-N 307.354 -0.318 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)OCc2cnn(C)c2)C1=O 726042925 PAJDKVPLEAKPBC-UHFFFAOYSA-N 306.278 -0.560 30 20 DBED C#CCCN1CCC(NC(=O)CN2C(=O)NC(=O)C2(C)C)CC1 747404693 NMAHKGZNQRAZIB-UHFFFAOYSA-N 320.393 -0.079 30 20 DBED C#CCNC(=O)CNc1ccccc1C(=O)NCCC(N)=O 749272102 PXEMUSAJBJDUBT-UHFFFAOYSA-N 302.334 -0.547 30 20 DBED C#CCOCCOC(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1 762713956 VNELLQXVMJMZGO-SNVBAGLBSA-N 315.351 -0.720 30 20 DBED C#CCOc1ccc(NC(=O)C(=O)N(CCO)CCCO)cc1 784771110 WVOZDBCGPJTOEA-UHFFFAOYSA-N 320.345 -0.160 30 20 DBED C#CCOc1cccc(NC(=O)C(=O)N[C@H]2CNC(=O)C2)c1 784869217 SMNCFQNAGMWCBI-LLVKDONJSA-N 301.302 -0.358 30 20 DBED CC(=O)N1CC(C(=O)NS(=O)(=O)c2cccc(C#N)c2)C1 788350389 XIGRPEGPUOYFCI-UHFFFAOYSA-N 307.331 -0.159 30 20 DBED C=CCN1CC[C@@H](OC(=O)[C@H]2CC(=O)N(CCOC)C2)C1=O 800128570 FWPNMXFIBJXYGT-NWDGAFQWSA-N 310.350 -0.189 30 20 DBED C#C[C@@H](NC(=O)C(=O)N(CCO)CC(F)F)[C@H]1CCCO1 809308197 GSMSZMHJOLHHNW-NXEZZACHSA-N 304.293 -0.631 30 20 DBED C#C[C@@H](NC(=O)C(=O)N(CC)CCOCCO)[C@@H]1CCCO1 809310818 UTOXGOPMOXMPKD-OLZOCXBDSA-N 312.366 -0.859 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)c1cn(C2CCOCC2)nn1 811304984 LDOJSNFUQIFROG-JTQLQIEISA-N 306.322 -0.076 30 20 DBED C#CCN(C)CCCNC(=O)[C@H]1CCCN1C(=O)CNC(C)=O 818606281 IXLHTHLTYAPWFA-CQSZACIVSA-N 322.409 -0.815 30 20 DBED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1C[C@@H](O)C1 839789975 OAEVBROTXIWTKT-AOOOYVTPSA-N 323.374 -0.245 30 20 DBED C#CC[C@@H](CO)NCCS(=O)(=O)CC(=O)OC(C)(C)C 843079406 ZVLWJJWCUNRUMZ-NSHDSACASA-N 305.396 -0.283 30 20 DBED CO[C@@](C)(C(=O)OCC(=O)NCC#N)C(=O)OC(C)(C)C 850124530 SEMGRFJTEVVFKB-ZDUSSCGKSA-N 300.311 -0.084 30 20 DBED C#CC[C@@H](CCOC)NC(=O)CN(C)[C@H]1CCS(=O)(=O)C1 863783596 RVFCSZPZGWAIQH-STQMWFEESA-N 316.423 -0.350 30 20 DBED C=CCS(=O)(=O)CCNS(=O)(=O)CCn1cccn1 867086989 AQSCAXYKOOBHQI-UHFFFAOYSA-N 307.397 -0.597 30 20 DBED C=CCN1CCC(NC(=O)N2C[C@H]3C(=O)N(C)C(=O)[C@H]3C2)CC1 868283689 DQIZTSWNKHUGRF-BETUJISGSA-N 320.393 -0.107 30 20 DBED Cc1nn(C)cc1/C=C/C(=O)c1c(O)n(C)c(=O)n(C)c1=O 876498262 SXURSPRZDZNKCX-AATRIKPKSA-N 304.306 -0.272 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NN2CCCC[C@@H]2C)C1=O 912153116 MYUCKLAAVIHQBM-JTQLQIEISA-N 308.338 -0.131 30 20 DBED C#CCCN1CC[C@H](NC(=O)Cn2ncn(C)c2=O)[C@H](C)C1 942199950 IHHSZPARGFKJEX-OLZOCXBDSA-N 305.382 -0.568 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H]1CNC(=O)c1c[nH]c(=O)cn1 944250180 XFEPHMPPRFNWRR-NXEZZACHSA-N 303.322 -0.350 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)c2ncccc2O)C1 944560384 JTFXXJBVDDIQRZ-MNOVXSKESA-N 318.333 -0.096 30 20 DBED C=CCCn1cc(C(=O)N2CCN([C@@H](C)C(=O)NC)CC2)nn1 951607913 ZLIQFNFDEALRSX-LBPRGKRZSA-N 320.397 -0.254 30 20 DBED Cn1nc(C(=O)NC[C@@H]2CN(CC#N)C[C@@H]2O)cc1C(F)F 958263034 MMDOSKVZKHGKTN-KCJUWKMLSA-N 313.308 -0.096 30 20 DBED C#CCCN1C[C@@H](O)[C@@H](CNC(=O)c2c(C)nn(C)c2F)C1 958631547 SHPWXJNWGMKYQH-NWDGAFQWSA-N 308.357 -0.087 30 20 DBED O=C(c1nc[nH]n1)N1C[C@H]2[C@@H](C1)OCCN2C(=O)C#CC1CC1 960365367 LQNDFKSJSKVANC-NWDGAFQWSA-N 315.333 -0.730 30 20 DBED C=CCCn1cc(C(=O)N2C[C@H](O)[C@H](NC(=O)CC)C2)nn1 961059866 YKWNFESRTCWIOW-PWSUYJOCSA-N 307.354 -0.434 30 20 DBED C#CCN1C[C@H]2[C@H](NC(=O)[C@@H]3OCC[C@@H]3Cn3cccn3)[C@H]2C1 962010074 CIVNMDVULHQMBV-RBGFHDKUSA-N 314.389 -0.032 30 20 DBED C=CCN1C[C@H]2[C@H](NC(=O)CN3C(=O)NC(C)(C)C3=O)[C@H]2C1 962461765 KBRZXPXQRJBOIL-IAZYJMLFSA-N 306.366 -0.451 30 20 DBED C#CCNC1CC2(C1)CC(NC(=O)C[C@@H]1NC(=O)NC1=O)C2 963960512 DICCWJJDFCPFET-RUIJOYPPSA-N 304.350 -0.765 30 20 DBED C#Cc1cncc(C(=O)N2C[C@H](C)[C@@H](NC(=O)C(N)=O)C2)c1 966817009 JZWJINDNYYQKRV-CABZTGNLSA-N 300.318 -0.875 30 20 DBED C#CCN[C@@H]1CCN(C(=O)c2ccc(=O)n(CCOC)c2)C1 969187751 ZRZZERQCOVOCPM-CQSZACIVSA-N 303.362 -0.068 30 20 DBED C#CCN1CCC(C(=O)N2CC[C@@H](N[C@H](CC)C(N)=O)C2)CC1 970792600 PJLBTAQOWCDTOY-HUUCEWRRSA-N 320.437 -0.214 30 20 DBED CC#CCN1CCO[C@]2(CCN(C(=O)[C@@H]3CC(=O)N(C)C3)C2)C1 972409723 SPXYKJOUAHFKPF-RHSMWYFYSA-N 319.405 -0.209 30 20 DBED C#CCN[C@H]1CCC[C@@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)C1 981504261 ZNKCHRXMUFNOQT-NWDGAFQWSA-N 320.393 -0.033 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C(=O)N2CCN(CC#N)CC2)CC1 985825773 QHAHKMCZSNWOLT-CYBMUJFWSA-N 318.381 -0.449 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)c3ncn(C)n3)C[C@@H]2C1 986051040 ZSMXHWGLONGLHN-TUAOUCFPSA-N 316.365 -0.105 30 20 DBED C[C@@H]1C[C@H](NCc2nc(=O)n(C)[nH]2)CN1C(=O)C#CC1CC1 988827292 RKHLAHCZACBDEY-PWSUYJOCSA-N 303.366 -0.399 30 20 DBED N#Cc1cc(C(=O)NC2CN(C(=O)[C@@H]3CC[C@H]3C(N)=O)C2)c[nH]1 990927715 GVXQNBIXYWUZQP-VXGBXAGGSA-N 315.333 -0.662 30 20 DBED O=C(N[C@@H]1CCN(C(=O)C#CC2CC2)C[C@H]1O)C1CCOCC1 991177829 ABPPJLNKVDROME-HUUCEWRRSA-N 320.389 -0.096 30 20 DBED C=CCn1cc(C(=O)N2CC(NC(=O)c3n[nH]cc3C)C2)nn1 991257619 MDTFECUWTDIHHC-UHFFFAOYSA-N 315.337 -0.250 30 20 DBED C#CCN1CC[C@]2(NC(=O)CN3C(=O)CCC3=O)CCC[C@H]12 992463583 JZTPTSDULAXKEY-BLLLJJGKSA-N 303.362 -0.118 30 20 DBED CC(C)N1C[C@H](C(=O)NC2CN(C(=O)[C@H](C)C#N)C2)CC1=O 993778688 DXDIBGULGCHMOY-GHMZBOCLSA-N 306.366 -0.270 30 20 DBED N#Cc1ccc(C(=O)N2CC(CNC(=O)[C@@H]3COCCO3)C2)[nH]1 1000995254 LJRYGYHDCFKBEG-ZDUSSCGKSA-N 318.333 -0.510 30 20 DBED C[C@H]1CN(C(=O)C(N)=O)CC2(CCN(C(=O)[C@H](C)C#N)CC2)O1 1006778917 QSMMROFAJYATMI-MNOVXSKESA-N 322.365 -0.760 30 20 DBED C=C(Cl)CN1CCC[C@H](NC(=O)CN2CC(=O)NC2=O)C1 1008891209 HMYIIEQLCBHXOZ-JTQLQIEISA-N 314.773 -0.129 30 20 DBED CN1C(=O)CC[C@@H]1C(=O)N1CCN(C(=O)C#CC2CC2)CC1 1011107729 NAAZJTCDWJJVIF-CYBMUJFWSA-N 303.362 -0.309 30 20 DBED COc1c[nH]c(C(=O)N2CCN(C(=O)[C@@H](C)C#N)CC2)cc1=O 1011530415 DPVXZVOHZUSJNY-JTQLQIEISA-N 318.333 -0.172 30 20 DBED C=CCN1CC[C@@H](N[C@H]2C[C@H](NC(=O)C3=COCCO3)C2)C1=O 1019964984 QBTXVWRUGOOFIV-JHJVBQTASA-N 321.377 -0.102 30 20 DBED N#CCN[C@H]1C[C@H](NC(=O)[C@@H]2COCCN2CC(F)F)C1 1020434514 CMVMVAXXRCPEOX-DCAQKATOSA-N 302.325 -0.287 30 20 DBED Cc1cccc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2O)n1 1023080090 PWCBRBBXOOGSIZ-ZWKOPEQDSA-N 302.334 -0.149 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccnc(F)c2)C1 1023166737 HKKJDBWSHBMENM-JMJZKYOTSA-N 306.297 -0.318 30 20 DBED O=C(Cc1ncc[nH]1)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1025301978 FLKZXUVUAWZTIM-VXGBXAGGSA-N 302.334 -0.947 30 20 DBED C#CCN1CC[C@H](CNC(=O)c2ccc(S(N)(=O)=O)o2)C1 1028658957 KICWCGGFFFAORM-SNVBAGLBSA-N 311.363 -0.388 30 20 DBED C=CCCN1[C@H]2CC[C@H]1CN(C(=O)C[C@@H]1NC(=O)NC1=O)C2 1029341800 BFRREPWUMTYPSV-SRVKXCTJSA-N 306.366 -0.164 30 20 DBED N#Cc1cc(C(=O)NC2CN(CC(=O)Nc3ccon3)C2)c[nH]1 1030236882 SKTBLVOPMUENDT-UHFFFAOYSA-N 314.305 -0.073 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)C[C@@H]3CCNC3=O)C2)C1=O 1030434004 OYULWSPUNAPWCG-WCQYABFASA-N 320.393 -0.900 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)CN3CCCC3)C2)C1=O 1031389226 HRFQVDPIZGIWLL-AWEZNQCLSA-N 306.410 -0.331 30 20 DBED C=C(C)CN1CCCC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 1034216228 BUGQYJXPAUVGNB-LBPRGKRZSA-N 320.397 -0.076 30 20 DBED CN(C)C(=O)CN1CCO[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1 1035330752 BMYZFDTUVYZOHT-GFCCVEGCSA-N 319.365 -0.595 30 20 DBED C#CCN1CCC(C(=O)NC[C@H]2CN(CCOC)CCO2)CC1 1035615190 UZAMUOSPMOKSMQ-INIZCTEOSA-N 323.437 -0.205 30 20 DBED C=CCN1CCO[C@H](CNC(=O)c2cccc(C(N)=O)n2)C1 1035623776 FDHNWRJBPZSARQ-LLVKDONJSA-N 304.350 -0.203 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCN1CC(=O)NC1CC1 1038365063 ASDQGWRDEONYOE-CABCVRRESA-N 318.421 -0.447 30 20 DBED C#CCCCC(=O)N1CC[C@@](O)(CNC(=O)[C@H]2CCN(C)C2)C1 1039756604 HUKZCBYDDSWZHV-WMLDXEAASA-N 321.421 -0.179 30 20 DBED CN(C)CCCC(=O)NC[C@@]1(O)CCN(C(=O)C#CC2CC2)C1 1040719531 XKLLFFGGUXVCLV-KRWDZBQOSA-N 321.421 -0.179 30 20 DBED C=CCN1CC[C@H](N2CC(N(C)C(=O)c3cnnn3C)C2)C1=O 1042678240 HRWLZWHXUQSOSG-LBPRGKRZSA-N 318.381 -0.642 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2ccoc2)C1 1043036653 QSTYSRFNQVAXKF-NSHDSACASA-N 306.318 -0.379 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2cc(C)[nH]n2)C1 1043036915 UDNPDOBFPPEUPD-NSHDSACASA-N 320.349 -0.940 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)[C@@H](C)Cc2cnc[nH]2)C1 1043226241 SLGDHPPNCYHNDW-QWRGUYRKSA-N 319.365 -0.563 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)[C@@H]2CCCNC2=O)C1 1043476195 FNKHJGDCVZEONQ-LLVKDONJSA-N 323.393 -0.586 30 20 DBED Cc1cc(C#N)nc(N2C[C@H](O)[C@H](NC(=O)[C@H]3CCCO3)C2)n1 1043845320 LKTXCKXXONMBPV-FRRDWIJNSA-N 317.349 -0.499 30 20 DBED N#Cc1cccnc1N1C[C@H](O)[C@H](NC(=O)[C@@H]2CCOC2)C1 1043863542 CBUWXKVBUHSJJY-UPJWGTAASA-N 302.334 -0.345 30 20 DBED Cc1cc(C(=O)N[C@@H]2CN(c3ncccc3C#N)C[C@@H]2O)n[nH]1 1043870251 YCDKKEOSZDDJGR-OLZOCXBDSA-N 312.333 -0.036 30 20 DBED COc1ccc(C(=O)NCC2(O)CN(C(=O)[C@H](C)C#N)C2)o1 1045247551 KDJOPWJRNHTNGV-SECBINFHSA-N 307.306 -0.249 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)c2ccnc(F)c2)C1 1045540919 MVORJXJUXAFECU-VIFPVBQESA-N 306.297 -0.317 30 20 DBED CCn1nccc1C(=O)N1CC(O)(CNC(=O)[C@H](C)C#N)C1 1045541398 VXDDISOHAQYVDW-SNVBAGLBSA-N 305.338 -0.634 30 20 DBED C#CCN1CC[C@](C)(NC(=O)c2coc(S(N)(=O)=O)c2)C1 1046426926 RHAWAKPLUZBGBK-ZDUSSCGKSA-N 311.363 -0.246 30 20 DBED C#CCN1CC[C@](C)(NC(=O)c2cn(CC(=O)N(C)C)nn2)C1 1046854501 QBVUWMQXDNQBPR-HNNXBMFYSA-N 318.381 -0.806 30 20 DBED C=C(C)CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCNC2=O)C1 1047418088 ZZONUTIOOZCCCP-IHRRRGAJSA-N 309.410 -0.018 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)CC2CS(=O)(=O)C2)C1 1047435270 GTFRATLGALYBDO-RYUDHWBXSA-N 302.396 -0.889 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CCS(=O)(=O)C2)C1 1047447017 IGOGAHDUFPUYAT-AGIUHOORSA-N 316.423 -0.499 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cc3ncccn3n2)C1 1047573913 RSGJGZPBLAYYRM-KBPBESRZSA-N 313.361 -0.130 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)Cc2csc(COC)n2)C1 1047591065 OWPOKTTUMWJDJC-STQMWFEESA-N 323.418 -0.031 30 20 DBED CCCN(C)CC(=O)N(C)[C@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1O 1049150314 UGRZRLPHNZARJO-AGIUHOORSA-N 310.398 -0.482 30 20 DBED CCn1cc(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)C#N)C2)nn1 1049395048 PWDITBWYLCLQCX-USWWRNFRSA-N 320.353 -0.899 30 20 DBED N#CCN1CCC2(CC1)CN(C(=O)C1CC(=O)NC(=O)C1)C2 1050699077 BMYLOWPTIBBACB-UHFFFAOYSA-N 304.350 -0.513 30 20 DBED C=C(C)CN1CCOC[C@@H]1CNC(=O)c1nnc(O)nc1O 1051005877 GEHLNURGKISOPB-VIFPVBQESA-N 309.326 -0.711 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)[C@@H]1CCc2nc(C)nn2C1 1051045932 ZWVLOSOVKZRFBJ-ZIAGYGMSSA-N 317.393 -0.401 30 20 DBED CC#CCN1CCOC[C@@H]1CNC(=O)c1cc(C(N)=O)co1 1051110026 UIHVGIDKYFMYNB-LBPRGKRZSA-N 305.334 -0.168 30 20 DBED C=CCCN1CC2(C[C@H](NC(=O)C[C@@H]3NC(=O)NC3=O)CO2)C1 1053832981 RTFLIPTVENWWNJ-QWRGUYRKSA-N 322.365 -0.880 30 20 DBED C[C@@H](C(=O)N[C@@H]1COC2(C1)CN(CC#N)C2)N1CCOCC1 1054025578 BWENRBLPHPTNCC-STQMWFEESA-N 308.382 -0.810 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@]1(CO)CCCN(C(=O)COC)C1 1055945959 BXKIFGGQRUDGHR-WFASDCNBSA-N 312.366 -0.859 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@](CO)(NC(=O)c2cncn2C)C1 1056001031 WVABHTCCVKYWDL-NHYWBVRUSA-N 319.365 -0.337 30 20 DBED C[C@H](C(=O)NC1[C@@H]2CN(c3ccnc(C#N)n3)C[C@@H]12)n1cncn1 1056169756 WDSFLQGUYWLCGF-GMTAPVOTSA-N 324.348 -0.248 30 20 DBED Cn1ccc(CC(=O)NC2[C@@H]3CN(c4cnc(C#N)cn4)C[C@@H]23)n1 1056201185 AOTLQQUBKWLEAB-CHWSQXEVSA-N 323.360 -0.125 30 20 DBED N#Cc1ccc(N2C[C@@H]3C(NC(=O)[C@@H]4[C@H]5COC[C@H]54)[C@H]3C2)nn1 1056365627 OVFLXBNPONRLNR-ZXPJVPCYSA-N 311.345 -0.209 30 20 DBED C#CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)c1cc(C)no1 1056948573 HNYDFXMPAJHGDW-LBPRGKRZSA-N 323.349 -0.428 30 20 DBED O=C(C#CC1CC1)NCCN(CCO)C(=O)C[C@H]1COC(=O)C1 1057348063 STDGFWXHWLJXPK-CYBMUJFWSA-N 322.361 -0.710 30 20 DBED O=C(NCCN(CCO)C(=O)C#CC1CC1)[C@H]1C[C@]12CCOC2 1057535148 KAEYUKSGFRYXHJ-PBHICJAKSA-N 320.389 -0.237 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)C[C@@H]1CCCOC1 1057649130 UMMKYCGNMUSGMX-STQMWFEESA-N 311.382 -0.100 30 20 DBED C=CCn1cccc1C(=O)N(CCO)CCNC(=O)CC(N)=O 1057902180 BDKZRJOTEGQEER-UHFFFAOYSA-N 322.365 -0.900 30 20 DBED CCc1nc(C#N)cc(N2CCC(NC(=O)C(N)=O)CC2)n1 1057932578 GVLOUPIBUJDVNX-UHFFFAOYSA-N 302.338 -0.519 30 20 DBED Cn1ncc(C(=O)N[C@H]2CCN(c3cncc(C#N)n3)C2)c1N 1058344096 QUGKETJWZGOVGP-VIFPVBQESA-N 312.337 -0.327 30 20 DBED CN1C[C@@H](C(=O)N[C@@H]2CCN(c3ccncc3C#N)C2)NC1=O 1058504068 FTQXDOWVROUHNC-NEPJUHHUSA-N 314.349 -0.328 30 20 DBED N#Cc1ccc(N2CC[C@@H](NC(=O)[C@@H]3CCC(=O)NC3)C2)nn1 1058594098 IGFBGFPBYJYVTC-ZYHUDNBSSA-N 314.349 -0.431 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)[C@H](C)OCCOC 1058904165 PJZCZUSLNSWRIX-ZDUSSCGKSA-N 316.398 -0.059 30 20 DBED C#CCOCCC(=O)N1CCOC[C@H]1CNC(=O)[C@H](C)OC 1061371149 ZPHKFOHDTCHBTP-QWHCGFSZSA-N 312.366 -0.595 30 20 DBED C=CCCC(=O)N1CCOC[C@H]1CNC(=O)Cn1cnnc1O 1061523332 MXPIEMHMJNDENP-LLVKDONJSA-N 323.353 -0.707 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1COCCN1C(=O)Cc1cc[nH]n1 1061566286 JNKNUZNQLFEXNY-CQSZACIVSA-N 318.377 -0.045 30 20 DBED C#CCO[C@H](C)C(=O)N1CCCC[C@@H]1CNC(=O)CNC(C)=O 1062210901 BLNZXKMBXFBYLG-TZMCWYRMSA-N 323.393 -0.342 30 20 DBED C#CCNC(=O)CC(=O)NCC1(NC(=O)[C@H](O)C(C)C)CCC1 1062829738 YGMRHHZSAVHNDW-CQSZACIVSA-N 323.393 -0.702 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(NC(=O)[C@H](C)CC(N)=O)CCC1 1063046818 RPBWDSULBUSLHO-NEPJUHHUSA-N 323.393 -0.309 30 20 DBED C#CCCCC(=O)N1CCO[C@H](CNC(=O)Cn2nccn2)C1 1065096001 UDPGUGWBARUQMB-CYBMUJFWSA-N 319.365 -0.575 30 20 DBED C#CCCCC(=O)N1CCO[C@H](CNC(=O)[C@H]2COCCO2)C1 1065099564 LFBLTLPPAOXJOF-ZIAGYGMSSA-N 324.377 -0.451 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)C(C)(C)C(N)=O)CCO1 1065263850 YTICIRNHHZYUBI-LBPRGKRZSA-N 323.393 -0.499 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CN(C(=O)c2csnn2)CCO1 1065383252 ILYBHNBBTRADJE-RKDXNWHRSA-N 309.351 -0.345 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(C(=O)c2cnon2)CCO1 1065511317 ZPWBDRGZISLXJJ-LLVKDONJSA-N 322.321 -0.933 30 20 DBED Cn1nnc(C(=O)N2CCC[C@@H](NC(=O)C#CC3CC3)CC2)n1 1066155523 IGLAKJLLTMATEM-GFCCVEGCSA-N 316.365 -0.266 30 20 DBED C#CCCCC(=O)N1CCC[C@@H](NC(=O)[C@H]2CNC(=O)N2)CC1 1066458608 JJOJBAJCOHXWJV-CHWSQXEVSA-N 320.393 -0.031 30 20 DBED CNC(=O)NCCC(=O)N(C)CCCN(C)C(=O)[C@H](C)C#N 1067334467 SCZQJVAGRIIUJI-LLVKDONJSA-N 311.386 -0.228 30 20 DBED C#CCN1CCn2ncc(CNC(=O)[C@H]3CCNC(=O)C3)c2C1 1069856812 MSUPMLQIGRCXEF-LBPRGKRZSA-N 315.377 -0.526 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)Cc4cc[nH]n4)C[C@@]3(C1)O2 1070778415 QRWZKFOXCVWWTI-XNRPHZJLSA-N 300.362 -0.113 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)c4cn(C)nn4)C[C@@]3(C1)O2 1070794750 AQIBMUQMIANLFC-LALPHHSUSA-N 301.350 -0.636 30 20 DBED C=CCOCC(=O)N[C@@H]1CCCN(C(=O)[C@H]2CCNC2=O)C1 1071068016 QOVYHYOZVOGJPK-NEPJUHHUSA-N 309.366 -0.568 30 20 DBED C=CCOCC(=O)N1C[C@H](C)[C@@H](NC(=O)C2CN(C(C)=O)C2)C1 1071809000 ONWRCFMZPNOLDB-FZMZJTMJSA-N 323.393 -0.370 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)c3cc[n+]([O-])cc3)C[C@@H]21 1074158185 NNCILBFMNVSXRA-GJZGRUSLSA-N 301.346 -0.132 30 20 DBED Cn1nnc2c1C[C@@H](C(=O)N1CC[C@H]3CN(CC#N)C[C@H]31)CC2 1076181462 YJVYAOXQBOPUCP-SLEUVZQESA-N 314.393 -0.024 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 1076990893 PUHQLDOCWHZTJU-CYZMBNFOSA-N 319.365 -0.890 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@@H]1CCC(=O)N1 1078533163 DJYRTPZLPQCJQZ-RNJOBUHISA-N 323.393 -0.133 30 20 DBED C#CCN[C@H]1C[C@H](NC(=O)c2cn(CC(N)=O)nn2)C12CCC2 1078818719 BIELRUFPCICVRF-RYUDHWBXSA-N 316.365 -0.973 30 20 DBED C#CCN1C[C@@H](NC(=O)CN2C(=O)CC(C)(C)C2=O)[C@H](C)C1 1079697974 DIJOCVKPYRPFPM-VXGBXAGGSA-N 305.378 -0.159 30 20 DBED CCN(C(=O)[C@H](C)N1CCOCC1)C1CN(C(=O)[C@@H](C)C#N)C1 1080070871 VTCPGVZHQXGXOH-STQMWFEESA-N 322.409 -0.074 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CCCCN1C(=O)CCNC(N)=O 1082068894 KSKMXUSJCHQQDO-MNOVXSKESA-N 309.370 -0.298 30 20 DBED C#CCN1CCC(C(=O)N[C@@H]2CN(C[C@H](C)O)C[C@H]2OC)CC1 1082384338 QIRXDXLZAZLCQT-NUEKZKHPSA-N 323.437 -0.472 30 20 DBED C#CCN1C[C@@H](NC(=O)Cn2c(C)c(C)sc2=O)[C@H](OC)C1 1082384474 YHAROBCAVPGFEP-CHWSQXEVSA-N 323.418 -0.025 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2cccc(C(=O)NC)c2)C1 1084072533 RJCLDLIJHRHLID-KGLIPLIRSA-N 301.346 -0.546 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCCN(C(=O)CCC)C2)C1 1084085525 ZAJPUEGMXQSPAF-ZNMIVQPWSA-N 321.421 -0.180 30 20 DBED CC#CCN1CC[C@@H]2CCN(C(=O)[C@H]3CN(C)C(=O)N3)C[C@@H]21 1085006340 ONXIJXJVVBHXBE-MCIONIFRSA-N 304.394 -0.044 30 20 DBED N#Cc1nccnc1N1CC=C(CCNC(=O)C(N)=O)CC1 1089862510 TXWUINSNLJEAJI-UHFFFAOYSA-N 300.322 -0.524 30 20 DBED CN(C)c1ccc(C(=O)N[C@@H]2CCN(CC#N)C[C@H]2O)cn1 1090384202 IMKILUNJTQGZGH-CHWSQXEVSA-N 303.366 -0.164 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CN(c2cc(Cl)c(O)nn2)C[C@@H]1O 1091079481 QYVCTRRMGDKHTP-ZQARSLAVSA-N 311.729 -0.339 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1C[C@@H](CNC(=O)Cn2cncn2)C1 1091345026 RJVKBOSPWGNYHS-BJHJDKERSA-N 311.349 -0.026 30 20 DBED N#Cc1nc(=N[C@H]2C[C@@H](CNC(=O)Cc3nc[nH]n3)C2)cc[nH]1 1091369324 PROSUSZRLFONNJ-AOOOYVTPSA-N 312.337 -0.562 30 20 DBED C[C@H](CC(N)=O)C(=O)N[C@H]1CCN(c2cnc(C#N)cn2)[C@@H]1C 1092034033 TVLQEPHIMRRPKX-FOGDFJRCSA-N 316.365 -0.057 30 20 DBED COCCC(=O)N[C@@H]1CCN(c2cnc(C#N)cn2)C[C@H]1O 1092129753 CBEQPLRFLWKNBW-VXGBXAGGSA-N 305.338 -0.559 30 20 DBED C#CCN1C[C@@H]2CC[C@H](C1)N2C1CCN(C(=O)CC(N)=O)CC1 1093486825 NGKQSBSMECWXIZ-GASCZTMLSA-N 318.421 -0.365 30 20 DBED C=CCN1CC(OC2CCN(C(=O)[C@H]3CNC(=O)N3)CC2)C1 1093566156 NVBLLOQGWRKICJ-CYBMUJFWSA-N 308.382 -0.454 30 20 DBED N#Cc1nc(=NCCNC(=O)c2ccc(C(N)=O)cc2)cc[nH]1 1093631965 YFTPKWNKJGOKGW-UHFFFAOYSA-N 310.317 -0.289 30 20 DBED CCc1nc(C#N)cc(NCCNC(=O)[C@@H]2CC[C@@H]2C(N)=O)n1 1094034400 KKLSWCPHVMQNOV-WDEREUQCSA-N 316.365 -0.050 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](N(C)c2cnc(F)cn2)C1 1095110056 CTJRSRNCMAPVCK-LLVKDONJSA-N 319.340 -0.208 30 20 DBED CNC(=O)NCCC(=O)NCCCN(C)c1nccnc1C#N 1095537252 DNZQYUGRVRHQLB-UHFFFAOYSA-N 319.369 -0.390 30 20 DBED CN(CCCNC(=O)c1cn(C)nn1)c1cnc(C#N)cn1 1095539168 FHMAXHMDWZIMLU-UHFFFAOYSA-N 300.326 -0.267 30 20 DBED CCN(CCCNC(=O)Cn1nccn1)c1cnc(C#N)cn1 1095924285 AMVCHDUVAIQBRT-UHFFFAOYSA-N 314.353 -0.027 30 20 DBED CCNC(=O)CC(=O)N[C@H]1CCCN(c2nccnc2C#N)C1 1096160912 NGKMOABJTQPMPL-NSHDSACASA-N 316.365 -0.041 30 20 DBED C[C@@H](CC(=O)N[C@H]1CCN(c2ccnc(C#N)n2)C1)NC(N)=O 1096439978 PKQAVJUGOWJKGO-UWVGGRQHSA-N 317.353 -0.510 30 20 DBED C[C@@H](CNC(=O)[C@]1(C)CNC(=O)C1)Nc1ccc(C#N)nn1 1098153828 YPZMDPANGYUFAG-XPTSAGLGSA-N 302.338 -0.209 30 20 DBED C[C@H](CNC(=O)[C@H]1CCC(=O)N1C)N=c1cc[nH]c(C#N)n1 1098230207 JIPZLPVCRHQYNK-NXEZZACHSA-N 302.338 -0.692 30 20 DBED Cc1nc(N[C@H](C)CNC(=O)[C@H]2CNC(=O)N2)ccc1C#N 1098250131 HTMOTICSVXXBBC-LDYMZIIASA-N 302.338 -0.140 30 20 DBED C[C@@H](CNC(=O)[C@@H](C)S(C)(=O)=O)Nc1ccc(C#N)nn1 1098392604 HGPYCSFTXCSLGW-DTWKUNHWSA-N 311.367 -0.302 30 20 DBED C#CCN(CCO)C1CCN(C(=O)c2cccc(=O)n2C)CC1 1098475596 NUHUZVVUJSRUKD-UHFFFAOYSA-N 317.389 -0.083 30 20 DBED N#CCN[C@@H]1CN(C(=O)[C@H]2COCCO2)C[C@H]1C(F)(F)F 1099216219 ATCLEPBDUYQNMP-OPRDCNLKSA-N 307.272 -0.096 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)C2(CF)CC2)[C@@H](O)C1 1100007382 YKTBASAMBIYYMY-NEPJUHHUSA-N 313.373 -0.410 30 20 DBED CN(CCNC(=O)[C@H]1CCCC(=O)N1)c1nccnc1C#N 1100190727 GHKPKUDHVIBWQB-SNVBAGLBSA-N 302.338 -0.431 30 20 DBED CC#CCNC1CC(CNC(=O)[C@H](C)NS(=O)(=O)CC)C1 1100351113 LUALTTBQIVJNSP-HIFPTAJRSA-N 315.439 -0.178 30 20 DBED CCN(CCNC(=O)c1cnn(C)n1)c1cnc(C#N)cn1 1100562813 BCYAMRRSAPHANJ-UHFFFAOYSA-N 300.326 -0.267 30 20 DBED C=CCCCNC1CC(CNC(=O)C[C@H](NC(C)=O)C(N)=O)C1 1100734874 BNXJKRPNMOODCU-RUXDESIVSA-N 324.425 -0.183 30 20 DBED COCC#CCNC1CC(CNC(=O)c2cn(C)c(=O)n2C)C1 1101044968 XKGIHDYIZOSWMY-UHFFFAOYSA-N 320.393 -0.528 30 20 DBED CNC(=O)NCC(=O)NCCN(c1ccncc1C#N)C1CC1 1101461291 UMWCIJYPBVMSFX-UHFFFAOYSA-N 316.365 -0.033 30 20 DBED CN(CCN=c1cc[nH]cc1C#N)C(=O)C[C@H]1CC(=O)NC1=O 1101680399 LAAMJSCADDWFIC-SNVBAGLBSA-N 315.333 -0.702 30 20 DBED C=CCOCC(=O)N(C)[C@H]1CCN(c2ccc3nnnn3n2)C1 1102692141 OGNFBHIMBMZZMW-NSHDSACASA-N 317.353 -0.241 30 20 DBED CC[C@@H](CNC(=O)[C@H]1CN(C)C(=O)N1)Nc1cnc(C#N)cn1 1103261298 MLVCAELIFIKCFV-GXSJLCMTSA-N 317.353 -0.321 30 20 DBED C[C@@H](CNC(=O)C1CS(=O)(=O)C1)CNc1ccc(C#N)nn1 1104096570 MIYSRJIFWTTYEV-SECBINFHSA-N 323.378 -0.443 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCN(C)C1=O)CNc1nccnc1C#N 1104159249 NAVDNAITRJNTAW-GHMZBOCLSA-N 316.365 -0.009 30 20 DBED Cc1c(C(=O)N(C)[C@H](C)CN=c2cc[nH]c(C#N)n2)nnn1C 1104500848 DREIAFKQAPYGMI-SECBINFHSA-N 314.353 -0.220 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)CCn1ccnn1 1104548843 JXKZHEJPZLGGOT-LLVKDONJSA-N 314.353 -0.289 30 20 DBED CNC(=O)[C@H](C)NCc1cn(C2CN(C(=O)[C@H](C)C#N)C2)nn1 1105189654 JEWHQXTYMBUTHC-ZJUUUORDSA-N 319.369 -0.955 30 20 DBED CC#CCNCc1cn(C2CN(C(=O)[C@@H]3CCCN3C)C2)nn1 1105192081 KUAZUSXJVKRUOK-HNNXBMFYSA-N 316.409 -0.132 30 20 DBED C=CCNCc1cn(C2CN(C(=O)[C@@H]3CCC(=O)NC3)C2)nn1 1105276201 BYUUGAPCFFLTGR-LLVKDONJSA-N 318.381 -0.537 30 20 DBED C=CCCNCc1cn(C2CN(C(=O)[C@@H]3CNC(=O)N3)C2)nn1 1105313561 DGVXZTQEQZEYIO-LBPRGKRZSA-N 319.369 -0.992 30 20 DBED C=CCNCc1cn(C2CN(C(=O)Cc3nc[nH]n3)C2)nn1 1105359499 KRFYLWLAUABQON-UHFFFAOYSA-N 302.342 -0.702 30 20 DBED CCc1nc(C#N)cc(NC[C@H](O)CNC(=O)[C@H](O)C(C)C)n1 1105838744 CMBUDISXASLUNE-SMDDNHRTSA-N 321.381 -0.183 30 20 DBED C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C)O2)C[C@H]1CNCC(=O)NCC#N 1106682833 AFNODEZGKSFASD-AAVRWANBSA-N 322.409 -0.122 30 20 DBED C#CCN1CC(n2cc(CNC(=O)[C@H](CC)NC(C)=O)nn2)C1 1107214029 NLDJSUCUSKMUJB-AWEZNQCLSA-N 318.381 -0.701 30 20 DBED C#CCN1CC(n2cc(CNC(=O)C[C@H]3CCN(C)C3)nn2)C1 1107229138 DBKQWWJFFGWMFI-CYBMUJFWSA-N 316.409 -0.274 30 20 DBED C[C@@]1(CNC(=O)/C=C\C2CC2)CN(CC(=O)NCC#N)CCO1 1107838869 GSRBTWNVMFUJEA-YIEVGGLXSA-N 320.393 -0.201 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)[C@@H]2CN(C(C)C)CCO2)C1 1108158501 GLNGHTYEPGBXEV-RDJZCZTQSA-N 323.437 -0.064 30 20 DBED C[C@@H](CN=c1cc[nH]cc1C#N)NC(=O)[C@@H]1CCNC(=O)C1 1108335974 ZMKOYKADMNBZMW-WDEREUQCSA-N 301.350 -0.182 30 20 DBED C[C@@H](CNc1nccnc1C#N)NC(=O)C(=O)NCC1CC1 1108488090 GBLXHWZYVMBIQP-VIFPVBQESA-N 302.338 -0.209 30 20 DBED C[C@](O)(CC(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1)C1CC1 1108537466 PEXCSTNPWSRLNC-LRDDRELGSA-N 320.393 -0.538 30 20 DBED C[C@H](CN(C)c1ncccc1C#N)NC(=O)CCNC(N)=O 1108961715 LHGHIWWVBSAIHR-SNVBAGLBSA-N 304.354 -0.047 30 20 DBED C[C@@H](CN(C)c1cncc(C#N)n1)NC(=O)COCCN(C)C 1109039342 NDAJQJQSDYWOPF-LBPRGKRZSA-N 320.397 -0.133 30 20 DBED CNC(=O)NCC(=O)N[C@@H](CN=c1cc[nH]c(C#N)n1)C1CC1 1110004922 CSTGWWFZUMSMQU-JTQLQIEISA-N 317.353 -0.994 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@]1(O)CCN(c2ncc(F)cn2)C1 1111097795 GQQJNXWBPFXRLH-ABAIWWIYSA-N 322.340 -0.289 30 20 DBED C#CCO[C@H](C)C(=O)N(C)[C@H]1CN(c2nccc(C)n2)C[C@@H]1O 1111190654 LWXOGVYYIGDDKE-RDBSUJKOSA-N 318.377 -0.169 30 20 DBED N#Cc1ccc(NCCN(CCO)C(=O)C2=CCOCC2)nn1 1111457439 YIFGSPYYZLZCAD-UHFFFAOYSA-N 317.349 -0.072 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(c2ncc(F)cn2)C[C@@H]1O 1112738795 RSJPIIHVIJDNRX-YPMHNXCESA-N 322.340 -0.431 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)[C@@]2(C)CNC(=O)C2)CC1 1113137380 VIXUHGBYTAUPHX-BLLLJJGKSA-N 322.409 -0.653 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)Cc2cnoc2)CC1 1113250231 UDBGQKCALMSSIE-GFCCVEGCSA-N 304.350 -0.501 30 20 DBED C[C@@H](CNC(=O)C[C@@H]1CCNC1=O)N(C)c1cncc(C#N)n1 1113755371 BLOJBTIWDYSTDI-QWRGUYRKSA-N 316.365 -0.185 30 20 DBED C[C@H](CNC(=O)[C@H]1CCNC1=O)N(C)c1cnc(C#N)cn1 1113802283 KWODOXTWZIHPOY-KOLCDFICSA-N 302.338 -0.575 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3cc(C)on3)[C@H]2C1 1113818478 CRCJISWPSACWTF-YABSGUDNSA-N 302.334 -0.608 30 20 DBED C[C@@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)N(C)c1nccnc1C#N 1113882464 XCQBMGNHVGCURS-AEJSXWLSSA-N 302.338 -0.589 30 20 DBED C=CCOCCN1C[C@@H]2C(NC(=O)CS(C)(=O)=O)[C@H]2C1 1113974170 QMQWMTBBZIYBMG-QWRGUYRKSA-N 302.396 -0.720 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)c3cc(C#N)c[nH]3)[C@@H]2C1 1114103966 SZBIIXJSWUMJHX-VXGBXAGGSA-N 311.345 -0.704 30 20 DBED CN(C)[C@H](Cn1cccn1)C(=O)NC1[C@H]2CN(CC#N)C[C@H]12 1114405495 TZGHKQRBTZSBLT-RWMBFGLXSA-N 302.382 -0.617 30 20 DBED C#Cc1cncc(C(=O)NC2[C@H]3CN(CCOCCO)C[C@H]23)c1 1114808518 SLULOCWNNNLNFC-GJZGRUSLSA-N 315.373 -0.268 30 20 DBED COCC#CCN1C[C@@H]2C(NC(=O)c3cncc(OC)n3)[C@H]2C1 1114932098 FWTGEENMOGKMAE-RYUDHWBXSA-N 316.361 -0.205 30 20 DBED C#CCNC1(CNC(=O)CCNS(C)(=O)=O)CCCCC1 1115561371 VNTHPUSYCHQZNG-UHFFFAOYSA-N 315.439 -0.032 30 20 DBED COCC#CC(=O)N(CCN(C)C)[C@H]1CCS(=O)(=O)C1 1118659121 XLFJYHBABHSXCL-LBPRGKRZSA-N 302.396 -0.787 30 20 DBED CCO[C@H]1CCN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1 1120471251 IQLTUPNXRROKJE-KGLIPLIRSA-N 320.393 -0.177 30 20 DBED C=CCOCC(=O)NC[C@H](CO)Nc1cc(COC)ncn1 1121324748 QJDMMSLOGWKTTL-GFCCVEGCSA-N 310.354 -0.285 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H](CO)Nc1ncccc1C#N 1122034469 APRGAKQAPRECAQ-DGCLKSJQSA-N 302.334 -0.119 30 20 DBED Cc1nc(O)[nH]c1C(=O)NC[C@H](CO)Nc1ccc(C#N)nn1 1122213701 PDIMZSCRBFSPMP-SECBINFHSA-N 317.309 -0.712 30 20 DBED Cc1nc[nH]c1C(=O)N(C)C[C@@H](O)CNc1ccc(C#N)nn1 1124399675 WEQHGOTZRVFBFI-NSHDSACASA-N 315.337 -0.075 30 20 DBED CN(C[C@@H](O)CNc1ccc(C#N)nn1)C(=O)c1ccnnc1 1124753654 LMAWWXTXNFPLPE-LBPRGKRZSA-N 313.321 -0.317 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C[C@H](O)CN(C)c1nccnc1F 1125162054 OVZRIPYCSGEFAV-NWDGAFQWSA-N 324.356 -0.091 30 20 DBED CN(C[C@@H](O)CN(C)c1ccc(C#N)nn1)C(=O)c1cnco1 1125231764 VDNOXCJYJWPOMZ-NSHDSACASA-N 316.321 -0.094 30 20 DBED CN(C)c1noc(CNCCNC(=O)c2ccc(C#N)[nH]2)n1 1125775899 FBYZTGDEPMLEFA-UHFFFAOYSA-N 303.326 -0.145 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)CCc1cnc[nH]1 1128986234 MORIBHODPDELMJ-UHFFFAOYSA-N 320.397 -0.190 30 20 DBED C#CCNC(=O)CNCCNC(=O)C[C@H]1CCCN1C(C)C 1129418965 YZFVRWISISJGOV-CQSZACIVSA-N 308.426 -0.296 30 20 DBED C#CCCN[C@@H]1CN(C(=O)c2cnn(C)c2)C[C@@H]1n1ccnn1 1129568299 BLRYTNCWGCKMDJ-KGLIPLIRSA-N 313.365 -0.310 30 20 DBED C#CCOCCC(=O)N1C[C@@H]2C[C@@H]3CN(C[C@@H](C)O)C[C@]2(C1)O3 1131227430 OPSXBWPVFOHLIR-JYYAWHABSA-N 322.405 -0.291 30 20 DBED COCCO[C@H](C)C(=O)N1C[C@H]2C[C@@H]3CN(CC#N)C[C@]2(C1)O3 1131274362 VLHFMNLXJGZJBU-IXYNUQLISA-N 323.393 -0.137 30 20 DBED C[C@@H]1CC[C@@H](NC(=O)CSCC#N)CN1Cc1nnn(C)n1 1131827101 VXKDPOJLZQRFRG-GHMZBOCLSA-N 323.426 -0.064 30 20 DBED C=C(C)CN(CC)C(=O)CNCCNC(=O)c1[nH]nnc1C 1132209750 PFFMGKCHEZQLLL-UHFFFAOYSA-N 308.386 -0.143 30 20 DBED C=C(C)CN(CC)C(=O)[C@H](C)NCCNC(=O)[C@@H]1CCNC1=O 1132377619 YCYVEYXJHLYWLL-QWHCGFSZSA-N 324.425 -0.359 30 20 DBED CCS(=O)(=O)N(C)CC(=O)N[C@@H]1CC[C@@H](C)N(CC#N)C1 1132393203 XPMYBSNCJBMQTF-VXGBXAGGSA-N 316.427 -0.239 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)C[C@@H](C)NCC(=O)N(C)CC 1134131022 PMUBXNDIUSBHKS-CHWSQXEVSA-N 324.425 -0.523 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)[C@H](O)C(C)C)C2 1147474744 CGHSEKCZLMRFOU-CQSZACIVSA-N 307.394 -0.713 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)C1CC(OC)C1)C2 1147760175 BDIOZVIOBNMLOU-UHFFFAOYSA-N 319.405 -0.305 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CN(Cc2nncn2C)CCCO1 1149397412 AZWQEPVOPQQXOH-NEPJUHHUSA-N 306.370 -0.318 30 20 DBED CC#CCN(CC)[C@H](C)CNC(=O)CCn1cc[nH]c(=O)c1=O 1155850281 BYWJNGPYYVPZRV-CYBMUJFWSA-N 320.393 -0.223 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)c1cnnn1CC 1157565953 MWRUMNJTBXBJES-LLVKDONJSA-N 308.386 -0.302 30 20 DBED C=CCCNCCCNC(=O)CN(C)S(=O)(=O)N(C)C 1157912638 UJUOLPDTHZZFOX-UHFFFAOYSA-N 306.432 -0.603 30 20 DBED CS(=O)(=O)NCCC(=O)NCCC1(CNCC#N)CC1 1165293341 PFABPUUPCQFFSC-UHFFFAOYSA-N 302.400 -0.675 30 20 DBED N#Cc1ccc(CNCCCNC(=O)[C@H]2CNC(=O)N2)c(F)c1 1165466282 GYVDVQWJXWRGDL-CYBMUJFWSA-N 319.340 -0.025 30 20 DBED C=CCNC(=O)CNCC1(CCNC(=O)C2(C(N)=O)CC2)CC1 1166935346 NAQGTCICPYLOGQ-UHFFFAOYSA-N 322.409 -0.570 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)CCCCNCC(=O)N(C)C 1170310036 AICXRMRQTBLSBZ-CYBMUJFWSA-N 324.425 -0.521 30 20 DBED CC#CCN1CCO[C@@H]2CCN(C(=O)CC(=O)NCC)C[C@H]21 1176996047 ZXMBOWJCLCRUEB-ZIAGYGMSSA-N 307.394 -0.162 30 20 DBED N#CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CN3CCC2CC3)C1 1182615500 HGDLERWPJBUXTR-ZIAGYGMSSA-N 319.409 -0.842 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 1183289065 RGLBRTNQPDQCLS-CYBMUJFWSA-N 308.426 -0.037 30 20 DBED C#CCNC[C@]1(C)CN(C(=O)CC[C@@H]2NC(=O)NC2=O)C[C@H]1C 1183349051 UZXXWYPFQZKUGD-BFQNTYOBSA-N 320.393 -0.318 30 20 DBED CC#CCNC[C@]1(C)CN(C(=O)CN2C(=O)CNC2=O)C[C@H]1C 1183356343 HDQHWBGTIPCBCA-MLGOLLRUSA-N 320.393 -0.364 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 1185783833 JJBVDVSVVVVTPJ-SYQHCUMBSA-N 305.378 -0.506 30 20 DBED Cc1noc(C)c1CC(=O)N1CC[C@@H](NCC(=O)NCC#N)C1 1187772523 AEPWCPWJVYUHME-GFCCVEGCSA-N 319.365 -0.336 30 20 DBED COCC#CCN1C[C@@H]2CCN(C(=O)c3nnn(C)n3)[C@@H]2C1 1188832959 ZJVZNAVHVJCGBI-NWDGAFQWSA-N 304.354 -0.994 30 20 DBED COCC#CCN(C)[C@@H]1CCN(C(=O)CS(C)(=O)=O)C1 1189161292 PVJSVWRGYIGZLM-GFCCVEGCSA-N 302.396 -0.787 30 20 DBED Cc1ncoc1C(=O)N1CC[C@H](N(C)CC(=O)NCC#N)C1 1189536702 JDFMTVPZSGPDKJ-NSHDSACASA-N 305.338 -0.231 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C2CCCCCC2)C1 1191622383 KTPAIBGIGNEVLB-HUUCEWRRSA-N 321.421 -0.133 30 20 DBED C#CCN1CCCN(C(=O)CS(=O)(=O)CCOC)CC1 1196316751 BIHTXKGIZSJOQH-UHFFFAOYSA-N 302.396 -0.785 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)Cc2cnc[nH]2)C1 1196827159 UFERMSMNBNSLNK-NWANDNLSSA-N 320.393 -0.601 30 20 DBED C=CCOCC(=O)N1CCCO[C@H](CNCc2ncnn2C)C1 1200109647 ZDRIARSMOBREQR-CYBMUJFWSA-N 323.397 -0.275 30 20 DBED COc1cc(C(=O)N2CCC(NCC(=O)NCC#N)CC2)on1 1200148221 MMOOXBILKYSGSA-UHFFFAOYSA-N 321.337 -0.483 30 20 DBED C#CCNC[C@H]1CN(C(=O)[C@H]2C[C@@H](C)CC(=O)N2)CCCO1 1200528742 NLSPVOJJUIIYPK-HZSPNIEDSA-N 307.394 -0.259 30 20 DBED CN(C)S(=O)(=O)CC(=O)N1C[C@H]2CC[C@H]1[C@@H](NCC#N)C2 1204925900 DGMGWAUOFWNMAU-SRVKXCTJSA-N 314.411 -0.630 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)c2c[nH]nc2C)CC1 1205825821 KOZNWQPARIQLNT-UHFFFAOYSA-N 317.393 -0.091 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC[C@H](NCCn2cncn2)C1 1208025050 GCTJTTQTPZFRBZ-KBPBESRZSA-N 305.382 -0.103 30 20 DBED C#CCCN[C@@H]1CCCN(C(=O)[C@H](C)NS(=O)(=O)CC)C1 1208108898 DEXMNGUQPWMTEG-QWHCGFSZSA-N 315.439 -0.082 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)c2ccnnc2)[C@H](C)C1 1208878284 QWRQQQLXILZVPJ-DGCLKSJQSA-N 303.366 -0.171 30 20 DBED COc1ccc(C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@H]2C)o1 1209689848 BUCKUDLVDDHMKW-GHMZBOCLSA-N 320.349 -0.022 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)CCCC=C)[C@H](OC)C1 1213350080 GHASNYCCRWZTGP-ZIAGYGMSSA-N 307.394 -0.093 30 20 DBED COCC#CCN1C[C@@H](NC(=O)Cc2cnc[nH]2)[C@H](OC)C1 1213488700 DBHPQDREGPPCGE-ZIAGYGMSSA-N 306.366 -0.583 30 20 DBED C=C(C)CCN[C@@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@H]1C 1214665610 GPZVUSJPGUJFTH-VXGBXAGGSA-N 320.397 -0.220 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2C)C[C@H]1C 1215385394 PRVOABGEIUSDNH-MGPQQGTHSA-N 307.394 -0.307 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)CC(=O)N(C)C)C[C@H]1C 1215836475 VPKSCFSYSCQBQS-FRRDWIJNSA-N 324.425 -0.408 30 20 DBED C=CCCO[C@H](C)C(=O)N[C@@H]1CN(CCn2cncn2)C[C@@H]1O 1219312679 MMHQFHMDTLBFJT-MCIONIFRSA-N 323.397 -0.579 30 20 DBED C=CCOCC(=O)N[C@@H]1CN([C@@H](C)C(=O)NC2CC2)C[C@@H]1O 1219366297 XTGWHQHNKCKADP-UHTWSYAYSA-N 311.382 -0.983 30 20 DBED CC[C@@H](C)NC(=O)CN1C[C@H](O)[C@H](NC(=O)C#CC2CC2)C1 1219591788 UUVIZQKWDIPXHR-BNOWGMLFSA-N 307.394 -0.524 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@H]2CCCC2(C)C)C1 1220165451 BHZCCLPYSJGIOB-MCIONIFRSA-N 321.421 -0.277 30 20 DBED C#CCOCCC(=O)N1C[C@H]2CCN([C@@H]3CCN(C)C3=O)C[C@H]21 1221542721 SIAMOBABFBWVCR-RBSFLKMASA-N 319.405 -0.210 30 20 DBED CC#CCN1CCC(CNC(=O)CN2C(=O)CN(C)C2=O)CC1 1225372465 RATRFAKWAXAHMV-UHFFFAOYSA-N 320.393 -0.268 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)[C@H]2CCO[C@H]2C)CC1 1229723380 OTZGPVWLQMZTHB-JSGCOSHPSA-N 307.394 -0.259 30 20 DBED C=CCCC(=O)NCC[C@@H]1CN(CCCO)CCS1(=O)=O 1230436683 QRSDAQGZRFOOTQ-CYBMUJFWSA-N 318.439 -0.060 30 20 DBED C[C@@H](O)C[C@@H]1COCCN1C(=O)C(=O)Nc1cnn(CC#N)c1 1255532081 UCXIIHZOTLMIAA-ZYHUDNBSSA-N 321.337 -0.657 30 20 DBED COC(=O)[C@@]1(C)CCCN(C(=O)C(=O)N2CCO[C@H](C#N)C2)C1 1261367824 NABLNGRLODZPMW-ABAIWWIYSA-N 323.349 -0.461 30 20 DBED C[C@H](OC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)NC1(C#N)CCC1 1321741207 KGNHYAUXBBUSKN-UWVGGRQHSA-N 314.363 -0.085 30 20 DBED C=CCN(C(=O)[C@H]1CCC(=O)NC1)[C@H]1CCS(=O)(=O)C1 1321960856 QBSMWLZNMHYYNS-QWRGUYRKSA-N 300.380 -0.286 30 20 DBED C#CCSCCNC(=O)C(=O)N1CC[S@](=O)[C@H](C)[C@@H]1C 1323045910 XHRQPKREVLOANP-JHTDMNASSA-N 316.448 -0.163 30 20 DBED C=C(CC)CNC(=O)C(=O)N1CC[C@@H](S(=O)(=O)NCC)C1 1325619541 SYYKQRGLZBOSCM-LLVKDONJSA-N 317.411 -0.391 30 20 DBED C#CCN1CCC(C(=O)NCCCN2C(=O)CNC2=O)CC1 1326982331 GSRQWJUHLBJDHC-UHFFFAOYSA-N 306.366 -0.610 30 20 DBED C[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](C#N)C2)CC2(CCC2)O1 1327024652 OWQLFLGVTDJUMZ-VXGBXAGGSA-N 307.350 -0.093 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)Nc2nc3c(s2)COCC3)CCO1 1327303675 NOCZUXTWFQPABL-QMMMGPOBSA-N 322.346 -0.095 30 20 DBED C=CCN1CCC(NC(=O)C(=O)N(C)Cc2cn(C)nn2)CC1 1327962895 BQOXPUKDGLPVNV-UHFFFAOYSA-N 320.397 -0.460 30 20 DBED CC(C)NC(=O)CCNC(=O)CCN/C(O)=C1/N=CC=CC1=O 1328351229 PXUROXPFAIPYRP-PFONDFGASA-N 322.365 -0.066 30 20 DBED C[C@H](CO)C1CCN(C(=O)C(=O)N2CCO[C@@H](C#N)C2)CC1 1328745256 QAONNIIAZHBKDT-YPMHNXCESA-N 309.366 -0.396 30 20 DBED C=C(Cl)CNC(=O)C(=O)Nc1ncn(CC(=O)OCC)n1 1329187429 KYOFIMNYSLZXIM-UHFFFAOYSA-N 315.717 -0.352 30 20 DBED N#C[C@@]1(F)CCN(C(=O)C(=O)N2CC[C@@H]3COC(=O)N[C@H]3C2)C1 1332371458 DDKDVNUAMJIQMO-BFVZDQMLSA-N 324.312 -0.593 30 20 DBED C[C@@H](C(=O)NCC#CCN(C)C)S(=O)(=O)C1CCOCC1 1332708835 YOSVMCYOVFBPGL-LBPRGKRZSA-N 316.423 -0.350 30 20 DBED N#C[C@H]1CCCN(C(=O)C(=O)N2[C@H]3CC[C@H]2CC(=O)NC3)C1 1336516536 FPXOKACKGZMKLN-WOPDTQHZSA-N 304.350 -0.372 30 20 DBED C#CCC[C@H](O)CNC(=O)C(=O)Nc1ccc(=O)n(CC)c1 1339864723 GJQVYDGIXTYURF-LBPRGKRZSA-N 305.334 -0.303 30 20 DBED N#CCNC(=O)CNC(=O)[C@H]1CCS(=O)(=O)c2ccccc21 1342995959 DMUFNYBNIUEYTC-NSHDSACASA-N 321.358 -0.296 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CC[C@@H]([C@H](C)O)C2)nn1 1345711284 RRQODGFVJHVUAL-WDEREUQCSA-N 307.354 -0.690 30 20 DBED C=CCN(C(=O)C(=O)N1CCn2ncnc2C1)[C@@H](C)COC 1347002118 DLDPELNRRAZTAS-NSHDSACASA-N 307.354 -0.330 30 20 DBED N#CCC1(O)CN(C(=O)c2ccc3c(c2)C(=O)NCCO3)C1 1362506558 PALJSCHMJYTHFF-UHFFFAOYSA-N 301.302 -0.091 30 20 DBED Cn1nnc(NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)n1 1363092177 UKXZSGVJFXXSAR-UHFFFAOYSA-N 320.334 -0.365 30 20 DBED C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)NCC1(C#N)CCOCC1 1363698717 VANVOASTJJBTTA-JQWIXIFHSA-N 309.366 -0.301 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H](CO)[C@H]1CCOC1 1363962497 CTYYGPTYPHYWPC-GRYCIOLGSA-N 305.400 -0.300 30 20 DBED N#CC1(CNC(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)CCOCC1 1364240924 SQHKCQMRBBNRSY-MNOVXSKESA-N 310.354 -0.361 30 20 DBED CC(C)(CC#N)CS(=O)(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1 1364792136 BVSDMUBZJYJTAX-UWVGGRQHSA-N 303.384 -0.121 30 20 DBED N#Cc1cn(CCNC(=O)NC2CC(F)(F)C2)c(=O)nc1O 1365146581 XCDSFIGEWMKRPS-UHFFFAOYSA-N 313.264 -0.083 30 20 DBED Cc1nn(C)c(C)c1[C@@H](O)CNc1[nH]c(=O)n(C)c(=O)c1C#N 1365250104 SPMBKIPMQUCYDS-JTQLQIEISA-N 318.337 -0.559 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N[C@@H](CO)c2cccnc2)CCO1 1365721246 WZOPATPEYNRWFM-NEPJUHHUSA-N 312.351 -0.826 30 20 DBED CCN(CCNC(=O)COCc1nncn1C)C(=O)[C@@H](C)C#N 1387292785 DWCJJGUPSSEDOC-NSHDSACASA-N 322.369 -0.544 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CCCN1C(=O)CN1CCOCC1 1388339689 FAGHVFRTYGRESN-QWHCGFSZSA-N 308.382 -0.415 30 20 DBED COCC(=O)N(C)CC(=O)N1CCC[C@H](NC(=O)[C@H](C)C#N)C1 1388949914 UXDMXESQTLJAJN-NEPJUHHUSA-N 324.381 -0.642 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CCCN(C(=O)c2ccc(C(N)=O)[nH]2)C1 1388996297 GNAYGDZBIXQGOU-UWVGGRQHSA-N 317.349 -0.006 30 20 DBED Cc1c(CCC(=O)NC[C@H](O)CNC(=O)[C@@H](C)C#N)cnn1C 1392117687 PJZVVNOBXZSRPP-GWCFXTLKSA-N 321.381 -0.586 30 20 DBED C=C(Cl)CNC[C@@H](O)CN(C)C(=O)CCn1cncn1 1394726332 HCCGHVVFJYZLKO-LLVKDONJSA-N 301.778 -0.170 30 20 DBED CC(C)NC(=O)NC(=O)[C@H](C)NCCN(C)C(=O)[C@H](C)C#N 1400069645 NDXLBCJTKAOKCJ-MNOVXSKESA-N 311.386 -0.183 30 20 DBED CC(C)NC(=O)NC(=O)[C@H](C)NCCN(C)C(=O)[C@@H](C)C#N 1400069649 NDXLBCJTKAOKCJ-QWRGUYRKSA-N 311.386 -0.183 30 20 DBED CCN(CCNC(=O)[C@H]1CCN(C)C(=O)C1)C(=O)[C@H](C)C#N 1408764318 JESITSWWKHCRAF-NEPJUHHUSA-N 308.382 -0.021 30 20 DBED C[C@H](C#N)C(=O)NCC1CN(C(=O)Cn2ccccc2=O)C1 1409175563 DPRJERKTTJDXOE-LLVKDONJSA-N 302.334 -0.417 30 20 DBED C[C@@H](CNC(=O)COCc1ccnn1C)NC(=O)[C@@H](C)C#N 1410454159 MDIFUROSKXCURZ-QWRGUYRKSA-N 307.354 -0.283 30 20 DBED COC(=O)CNC(=O)CNC(=O)Nc1ccc(OCC#N)cc1 1413504133 ACVCZLSJXSTMOH-UHFFFAOYSA-N 320.305 0.000 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CCCN(C(=O)c2c[nH]c(C(N)=O)c2)C1 1415959836 JYDNNHXBDWUAMR-KOLCDFICSA-N 317.349 -0.006 30 20 DBED C=C(Cl)CN[C@@H](C)CNC(=O)CNC(=O)CNC(C)=O 1419784603 CCXRWIZFBHSVJC-VIFPVBQESA-N 304.778 -0.915 30 20 DBED C[C@@H](C#N)C(=O)NC1CC(N(C)C(=O)c2c[nH]c(C(N)=O)c2)C1 1428467497 UYDURIQJEPDJDP-PUSIOWJLSA-N 317.349 -0.008 30 20 DBED CSC[C@](C)(O)CNC(=O)Cn1cc(C#N)c(O)nc1=O 1433735438 WAWVQIJPUOXLCI-GFCCVEGCSA-N 312.351 -0.949 30 20 DBED N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@H]2C[C@H](CO)C2)c1 1434441667 YRUDKFFHXWFADZ-HAQNSBGRSA-N 323.374 -0.276 30 20 DBED CNC(=O)NCC(=O)NC[C@@H](C)N(C)C(=O)c1cc(C#N)c[nH]1 1442794817 PJCBYOZRFDCFQY-SECBINFHSA-N 320.353 -0.608 30 20 DBED C[C@H](C#N)C(=O)NCC1CN(C(=O)[C@H]2CCc3nncn3C2)C1 1450714381 QEACBHITXUWKLU-PWSUYJOCSA-N 316.365 -0.425 30 20 DBED C[C@H](CN(C)C(=O)c1cnnn1C)NC(=O)c1cc(C#N)c[nH]1 1451016518 BGPZEXMBSAAYDO-SECBINFHSA-N 315.337 -0.095 30 20 DBED CCN(CCNC(=O)[C@H](C)C#N)C(=O)CN1CCC(=O)NC1=O 1529069609 QHSLMYKDIORKSS-SNVBAGLBSA-N 323.353 -0.947 30 20 DBED C[C@@H](C#N)C(=O)N1CC(CNC(=O)COCc2ccnn2C)C1 1530801454 DUBJHQJNLQQSJH-NSHDSACASA-N 319.365 -0.329 30 20 DBED CCc1nnc(N(C)C[C@H](C)C#N)n1CCS(=O)(=O)NC 1546413873 CZZYFBLERWXAJT-SNVBAGLBSA-N 314.415 -0.014 30 20 DBED CCOC[C@@H]1CN(c2cnc(-c3nn[nH]n3)c(C#N)n2)CCO1 1578374419 NVDODFQGCOQKBK-VIFPVBQESA-N 316.325 -0.230 30 20 DBED Cn1c(O)nc(Nc2cnn(CC#N)c2)c(-c2nn[nH]n2)c1=O 1581747586 PYMISLFOTMTFJE-UHFFFAOYSA-N 314.269 -0.870 30 20 DBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@H]1C[C@H]1C(=O)O 1588536030 TVLRRKPBGCKEAM-QCNOEVLYSA-N 310.350 -0.079 30 20 DBED C=C[C@H](C(=O)O)n1cc(CN2CCS(=O)(=O)CC2)nn1 1588672144 OVOWMUAEDKNCRV-SNVBAGLBSA-N 300.340 -0.680 30 20 DBED CCO[C@@H](CNc1cnc(-c2nn[nH]n2)c(C#N)n1)CN(C)C 1590786233 WDCKPEWYKKYLJD-VIFPVBQESA-N 317.357 -0.093 30 20 DBED C[C@@](O)(Cn1ccccc1=O)C(=O)N(CC#N)CCC(=O)O 1593419313 JMJYOSINPPZZCA-CQSZACIVSA-N 307.306 -0.574 30 20 DBED N#Cc1cccc([C@@H](O)CN2CCS(=O)(=O)C[C@@H]2C(=O)O)c1 1594626412 ZIBRJKNXXCYQGP-OLZOCXBDSA-N 324.358 -0.225 30 20 DBED N#CCN(CCC(=O)O)C(=O)c1cn(C(F)(F)CO)nn1 1601071695 DYFCWCVJBMTRJN-UHFFFAOYSA-N 303.225 -0.740 30 20 DBED N#Cc1ccc(NC(=O)C(=O)N2CCO[C@@H](CC(=O)O)C2)nc1 1601107289 XCVTYRGVVHGNDA-JTQLQIEISA-N 318.289 -0.406 30 20 DBED N#Cc1ccc(NCCN(CCO)C(=O)[C@H]2C[C@H]2C(=O)O)nc1 1601107839 NJQXNDDRGXRNOG-NWDGAFQWSA-N 318.333 -0.093 30 20 DBED N#Cc1ccc(S(=O)(=O)CCNCCOCC(=O)O)nc1 1601111338 XPDQFZZMGLJODB-UHFFFAOYSA-N 313.335 -0.582 30 20 DBED N#Cc1ccc(S(=O)(=O)NC[C@@H]2CNC(=O)C2)c(C(=O)O)c1 1601112205 VWWQBCDWOQACPX-VIFPVBQESA-N 323.330 -0.329 30 20 DBED C#CCN(CC(=O)O)C(=O)[C@H]1CCCN(S(=O)(=O)CC)C1 1602683000 XPDFMWBIJWSFGO-NSHDSACASA-N 316.379 -0.406 30 20 DBED CC[C@@H](CC#N)Nc1c(-c2nn[nH]n2)c(=O)n(C)c(=O)n1C 1604013906 PIFFPCDBPLXMQY-ZETCQYMHSA-N 304.314 -0.632 30 20 DBED CN(CCNS(=O)(=O)Cc1ccc(C#N)cc1)CC(=O)O 1606133812 WFVJOYUCLNBVPN-UHFFFAOYSA-N 311.363 -0.006 30 20 DBED COc1c(C(=O)O)ncnc1N1CCN(C(=O)CC#N)CC1 1607011913 XVDWYOXDUJCVPL-UHFFFAOYSA-N 305.294 -0.254 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N2CCC[C@H]2CC(=O)O)CCO1 1610620261 DCDGUSQIQCASJR-VHSXEESVSA-N 303.340 -0.605 30 20 DBED C=CCOCCN1CCC[C@H](NC(=O)CN2C(=O)CCC2=O)C1 1713064313 DMPLNRYTQCUVLP-ZDUSSCGKSA-N 323.393 -0.081 30 20 DBED COCC#CCN1CCC[C@@H](NC(=O)Cc2n[nH]c(C)n2)C1 1714920556 YMBMDWDMXNQCDM-CYBMUJFWSA-N 305.382 -0.114 30 20 DBED Cc1nc(C(=O)NCCCN(C)CC(=O)NCC#N)c(C)o1 1752082766 SENFBOGSCPXETR-UHFFFAOYSA-N 307.354 -0.017 30 20 DBED CC#CCN1CCC[C@@H](CNC(=O)CCCS(N)(=O)=O)C1 1752785968 HTMXOULOHAKKRK-ZDUSSCGKSA-N 315.439 -0.093 30 20 DBED C[C@@H](CNC(=O)[C@@H](C)Oc1cccnc1)NCC(=O)NCC#N 1752899578 COOKTULDYMZHLQ-NWDGAFQWSA-N 319.365 -0.417 30 20 DBED C=CCNC(=O)CNC[C@H]1CCN(C(=O)[C@@H]2CN(C)CCO2)C1 1752933908 DOHVUHAOSSHOAN-KGLIPLIRSA-N 324.425 -0.943 30 20 DBED C#CCNC(=O)[C@@H](C)NCCN(C)C(=O)c1snnc1CC 1753209174 CHUKCMJFYPPLPI-SNVBAGLBSA-N 323.422 -0.100 30 20 DBED COCC#CCN1CC(NC(=O)[C@@]2(C)CCN(C(C)=O)C2)C1 1753391120 IPTARRYKMUUDIY-INIZCTEOSA-N 307.394 -0.305 30 20 DBED C=CCOCCN1CC(CNC(=O)c2ccc(=O)n(C)n2)C1 1753414883 KXLDUXARPBIORT-UHFFFAOYSA-N 306.366 -0.356 30 20 DBED C=CCN1CCO[C@@H](CNC(=O)C2(S(C)(=O)=O)CCC2)C1 1753656919 WCUZBSFHFAFQMD-LBPRGKRZSA-N 316.423 -0.043 30 20 DBED C[C@H](NCC#N)[C@@H]1CCCN(C(=O)CS(=O)(=O)N(C)C)C1 1753801475 OJOITWIXEXYMPH-NWDGAFQWSA-N 316.427 -0.382 30 20 DBED C=CCN1CC[C@@H](N(C)CCN(C)C(=O)C(C)(C)C(N)=O)C1=O 1753855056 JLOJBUOHOFBYRS-GFCCVEGCSA-N 324.425 -0.325 30 20 DBED CC(C)(C)C#CC(=O)NC[C@@H](O)CNCCS(C)(=O)=O 1753911670 VRIRSUJCNFABEB-NSHDSACASA-N 304.412 -0.853 30 20 DBED C#CCCNC[C@H](O)CNC(=O)[C@H]1COc2ccccc2O1 1753936095 PRYLWBUMJZTIIA-SWLSCSKDSA-N 304.346 -0.084 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H](C)CN(C)Cc1ncnn1C 1754313194 QBZMEKYOWVFZNJ-KGLIPLIRSA-N 318.425 -0.151 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC[C@@H]1CNC(=O)c1[nH]nnc1C 1754490759 VWHPAMOUJUVTHW-GHMZBOCLSA-N 306.370 -0.392 30 20 DBED Cc1conc1C(=O)N1C[C@H](C)[C@H](CNCC(=O)NCC#N)C1 1754825406 KIONCVAHCKGKHP-CMPLNLGQSA-N 319.365 -0.080 30 20 DBED CC1(C)CC[C@@H]1C(=O)N1CCO[C@@H](CNCC(=O)NCC#N)C1 1755011304 VEXIXSCTCHAVAP-QWHCGFSZSA-N 322.409 -0.121 30 20 DBED C=CCN1CC[C@H](NC(=O)CS(=O)(=O)NC)C(C)(C)C1 1755142937 FIGXNCMWEPJLOM-NSHDSACASA-N 303.428 -0.062 30 20 DBED C=CCCO[C@H](C)C(=O)N1C[C@H](O)[C@H](NC(=O)CCOC)C1 1757152061 PGSKPNNKKBOAPJ-UPJWGTAASA-N 314.382 -0.308 30 20 DBED Cc1cc(NC(=O)CN2CCN(C[C@H](O)CC#N)CC2)no1 1771707487 KNQJAYDYADDPEI-GFCCVEGCSA-N 307.354 -0.186 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)NC[C@@]1(C(=O)O)CCOC1 1776398541 MZQKEQMLSBAZFZ-KOLCDFICSA-N 305.356 -0.454 30 20 DBED C[C@H](S)C(=O)N1CC2(CCCN2C(=O)c2ncnn2C)C1 1842343168 AKYVUQXTLABMSK-VIFPVBQESA-N 309.395 -0.050 30 20 DBED CCN(CC(=O)c1c(N)n(CC)c(=O)[nH]c1=O)C[C@@H](C)C#N 98134290 IFIYSIXANRDPJK-VIFPVBQESA-N 307.354 -0.197 30 20 DBED C=CCC[C@H](O)CN(C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 122874335 HHHZNGJTADZBKS-NEPJUHHUSA-N 304.412 -0.451 30 20 DBED CS(=O)(=O)NCc1ccc(C(=O)n2ncc(C#N)c2N)o1 133136008 VLUFFDQJGXEACJ-UHFFFAOYSA-N 309.307 -0.332 30 20 DBED COCCN/C(N)=N/Cc1cccnc1N1CCN(C)CC1 195522765 JXMOPLOQFNPFNX-UHFFFAOYSA-N 306.414 -0.116 30 20 DBED CC[C@@H](C)/N=C(/NCC(=O)N(C)C)N1CCN(CC)C(=O)C1 262293156 LRLQEQJMUMJGEP-GFCCVEGCSA-N 311.430 -0.017 30 20 DBED C=CCN(CC(=O)O)S(=O)(=O)N(CCOC)CCOC 275352446 TWEVTEBIRAUICR-UHFFFAOYSA-N 310.372 -0.601 30 20 DBED C=CCN1CC[C@@H](Nc2cnn(CC(=O)NCCOC)c2)C1=O 281161490 KNNQZLCGUSOJEF-CYBMUJFWSA-N 321.381 -0.156 30 20 DBED C=CCCN(C)C(=O)C(=O)NCCC(=O)N1CCN(C)CC1 284550151 LXSOVWACZXIMCD-UHFFFAOYSA-N 310.398 -0.699 30 20 DBED C=CCCOCCNC(=O)C(=O)NCC1([S@@](C)=O)CC1 289442619 SGXUCIGQGJGOIA-HXUWFJFHSA-N 302.396 -0.277 30 20 DBED C=CCCOCCNC(=O)C(=O)N1CCO[C@H](COC)C1 289502455 ZMPVXUHDBMGMRB-LBPRGKRZSA-N 300.355 -0.431 30 20 DBED C[C@H](c1cnn(C)c1)N(C)c1c(C#N)c(=O)n(C)c(=O)n1C 302019610 DNXKHNIAIHCMIE-SECBINFHSA-N 302.338 -0.113 30 20 DBED CN1CCN(/C(O)=N/C[C@H]2CCCN2S(C)(=O)=O)CC1 328739652 MRJJKXGULHCMEN-LLVKDONJSA-N 304.416 -0.428 30 20 DBED Cn1nncc1C/N=C(/O)N1CC[C@H](N/C(O)=N/C2CC2)C1 329718732 ZICKMRZTHGBCQM-JTQLQIEISA-N 307.358 -0.031 30 20 DBED COCCn1ccc(N/C(O)=N/[C@@]2(C)CCS(=O)(=O)C2)n1 331019370 IWQKHBIQQWECNG-LBPRGKRZSA-N 316.383 0.433 30 20 DBED CCN(C)C(=O)CN/C(O)=N/CCN1CCCS1(=O)=O 331071287 SENSXRQIVJJBBO-UHFFFAOYSA-N 306.388 -0.996 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N(C)[C@H]1CCN(C)C1=O 337099441 UNGXKANITTUKPE-QWRGUYRKSA-N 302.400 -0.125 30 20 DBED COC(=O)c1cnc(=NCCCc2[nH]nc(N)c2C#N)[nH]c1 339969412 BLEZXQWCEYIVCJ-UHFFFAOYSA-N 301.310 -0.093 30 20 DBED C[C@H]1CCC[C@@]1(O)CNC(=O)C(=O)Nc1ccn(CCC#N)n1 343671729 XJSAOWSEMBKGKM-XHDPSFHLSA-N 319.365 0.403 30 20 DBED Cc1cc(NC(=O)CSCC(=O)N(CC#N)CC#N)no1 359004549 DPKLXDAWTNETOI-UHFFFAOYSA-N 307.335 0.530 30 20 DBED C#CCNC(=O)[C@H](C)N1CCCN(C(=O)[C@H]2CCCO2)CC1 360571523 PIANZMCXMJPGFD-UONOGXRCSA-N 307.394 -0.162 30 20 DBED CCOC(=O)[C@H]1CN(S(=O)(=O)[C@@H](C)C#N)CC12COC2 416489490 QHVKHDSGIBDJBY-VHSXEESVSA-N 302.352 -0.260 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CCN[C@@H](C)C2)C1=O 423491909 KSBLQFMSWPTTRO-RYUDHWBXSA-N 308.382 -0.948 30 20 DBED CN(CCN(C)C1CC1)C(=O)C(=O)Nc1ccn(CCC#N)n1 441904041 FPVOBMKCBCKSFO-UHFFFAOYSA-N 318.381 0.288 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@]23CCOC3)CC1 491524908 OXPFEDXAVXEHCE-BBRMVZONSA-N 305.378 -0.693 30 20 DBED CN(C)C(=O)[C@H]1CC[C@@H](C(=O)N2CCN(C(=O)CC#N)CC2)O1 568530073 SIFJFHZPQQAYPW-NEPJUHHUSA-N 322.365 -0.793 30 20 DBED Cc1cc(NC(=O)C(=O)NCCOCCN(C)C)ncc1C#N 569706069 DWTAGGMKFMWGGA-UHFFFAOYSA-N 319.365 -0.105 30 20 DBED CC#CC[C@H](CO)NS(=O)(=O)N1CCC[C@H]1C(=O)OCC 592110377 CGXUNSPBMPWLGF-NEPJUHHUSA-N 318.395 -0.377 30 20 DBED CN(CCN1CCCC1)C(=O)C(=O)N1CCN(CCC#N)CC1 601446200 VVVVTCLXKABGPV-UHFFFAOYSA-N 321.425 -0.402 30 20 DBED COC[C@H]1CCCN1C(=O)C(=O)N1CCN(CCC#N)CC1 601519265 FMOLIDABGMYZFK-CYBMUJFWSA-N 308.382 -0.318 30 20 DBED C=CCCOCC(=O)N1CCCN(C(=O)CNC(C)=O)CC1 628905816 GUUVSVILLWIPKK-UHFFFAOYSA-N 311.382 -0.224 30 20 DBED C=C[C@@H](O)C(=O)NCC(=O)N1CCN(Cc2ccccc2)CC1 646786965 REDXUMZXYROMFC-OAHLLOKOSA-N 317.389 -0.006 30 20 DBED C=C(C)CN1CCC(NC(=O)CNS(=O)(=O)N(C)C)CC1 668370225 QQILQGBQNXPBDK-UHFFFAOYSA-N 318.443 -0.461 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(CN(C)[C@H](C)CC#N)c1=O 728902197 KTXKRNCIKJSDNT-GFCCVEGCSA-N 319.365 -0.265 30 20 DBED N#CCNC(=O)COC(=O)Cn1nc(-c2ccccc2)oc1=O 731236597 ZGMOIJAGCAGAKE-UHFFFAOYSA-N 316.273 -0.314 30 20 DBED C#CCNS(=O)(=O)N1CCN(Cc2cnccc2C)CC1 761024232 LZTRUZWKGDBRJL-UHFFFAOYSA-N 308.407 -0.025 30 20 DBED COCCN1C[C@H](C(=O)[C@H](C#N)C(=O)c2nccn2C)CC1=O 770730445 NGXMUYLYISLWSM-MNOVXSKESA-N 318.333 -0.193 30 20 DBED CC(=O)N1CCC[C@@H](C(=O)NS(=O)(=O)CCCC#N)C1 776123594 PRFXHFWFVMIKGO-LLVKDONJSA-N 301.368 -0.005 30 20 DBED CCN(C[C@H](C)C#N)C(=O)COC(=O)CCS(=O)(=O)NC 783186697 WTIXXWSHPFFRHF-SNVBAGLBSA-N 319.383 -0.523 30 20 DBED C#CCC[C@H](O)CNC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 799085270 OATCJMKYHCMYQV-ZCRGAIPPSA-N 316.357 -0.316 30 20 DBED CNC(=O)[C@H](O)CNS(=O)(=O)c1ccc(F)cc1C#N 809838170 RPTXHBMVGWTQKL-SECBINFHSA-N 301.299 -0.917 30 20 DBED C=CCNC(=O)[C@@H](C#N)C(=O)CN(C)C(=O)[C@@H](C)n1cccn1 815908477 CGGJLEBHIWLOTH-NEPJUHHUSA-N 317.349 -0.086 30 20 DBED C#CC[C@@H](CO)NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 820054620 QZHWQVWGNNYILH-JTQLQIEISA-N 321.358 -0.775 30 20 DBED C#CC[C@H](CO)NC(=O)c1cnc2c(c1)c(O)nc(=O)n2C 820064782 LWIMLBMQZRXPHT-SECBINFHSA-N 302.290 -0.852 30 20 DBED C#CCO[C@@H](C)C(=O)NCCN1CCN(c2ncccn2)CC1 822595488 GQAPHWSQCOUDNR-AWEZNQCLSA-N 317.393 -0.247 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCCO2)CC1 831565318 QHZJGSYBKOUQNB-LBPRGKRZSA-N 315.395 -0.833 30 20 DBED C#CC[C@H](NS(=O)(=O)CCCC(=O)OCC)C(=O)OC 841541543 UNBFWRKQWZXPNS-JTQLQIEISA-N 305.352 -0.186 30 20 DBED C#CC[C@H](CO)NC[C@@H](O)CN1C(=O)c2ccccc2C1=O 843077038 KQNSEYXNCPOLEO-VXGBXAGGSA-N 302.330 -0.383 30 20 DBED C#CCn1ccc(CN(CC)C(=O)[C@H]2CCS(=O)(=O)N2)n1 846044778 QEALUXXCHBKHAR-GFCCVEGCSA-N 310.379 -0.444 30 20 DBED COCCN(CCC#N)S(=O)(=O)NCCN(C)C(=O)OC 849470358 LFQAXGWAATWWBW-UHFFFAOYSA-N 322.387 -0.619 30 20 DBED COC(=O)CCN1CC[C@H](OC(=O)CSCC#N)C1=O 849681219 OKBREXUINUWHQK-VIFPVBQESA-N 300.336 -0.050 30 20 DBED C#CCNC(=O)[C@@H](C)OC(=O)COc1ccccc1C(N)=O 857757688 OMNGQIIPHJHSNB-SNVBAGLBSA-N 304.302 -0.155 30 20 DBED C#CCCOC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 858883652 URUCSQLDYMVQBM-LBPRGKRZSA-N 300.380 -0.049 30 20 DBED N#Cc1ccc(S(=O)(=O)NCC(=O)NN2CCOC2=O)cc1 862696814 PAWQHDVVWDNYKE-UHFFFAOYSA-N 324.318 -0.680 30 20 DBED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1cncc(N(C)C)c1 873866945 KXAVSMDGVXPBNN-CYBMUJFWSA-N 304.350 -0.023 30 20 DBED C#CCN1CCC[C@@H](NC(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)C1 890367616 PVXWCHNYODFABS-NEPJUHHUSA-N 319.365 -0.970 30 20 DBED C#CC1(O)CN(C(=O)NCCNC(=O)c2ccccc2F)C1 892233410 QMJDHFIFEJPLLD-UHFFFAOYSA-N 305.309 -0.055 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC(=O)N1 937491898 AEKGHWHTUPUDHU-NOOOWODRSA-N 304.350 -0.374 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2CCN2C(=O)c2cc[nH]n2)nn1 950052126 BXOMNNBHDOSREF-SNVBAGLBSA-N 315.337 -0.168 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](CNC(=O)c2cc3n(n2)CCO3)C1 958135070 KDBYJXLVJUXWME-DGCLKSJQSA-N 306.366 -0.126 30 20 DBED CC#CCN1C[C@@H](O)[C@H](CNC(=O)c2ccc3nnnn3c2)C1 958254227 NJDICMMEADAQQF-CHWSQXEVSA-N 314.349 -0.830 30 20 DBED C#CCCN1C[C@@H](O)[C@H](CNC(=O)c2cncc(C(N)=O)c2)C1 958695004 LAZZPHWHDZYOPW-ZIAGYGMSSA-N 316.361 -0.774 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CCOC2)C1 958950347 JOXDFQSWROZFCQ-NDBYEHHHSA-N 309.366 -0.397 30 20 DBED N#CCN1CC[C@H]([C@@H]2CCCN(C(=O)Cn3cnnn3)C2)C1 961099957 HSJPSPREAHPMDM-OLZOCXBDSA-N 303.370 -0.243 30 20 DBED C=CCOc1cccnc1C(=O)N[C@H]1[C@@H]2CN(CC(N)=O)C[C@@H]21 962259166 GRYLSRBHMTXSBS-YABSGUDNSA-N 316.361 -0.208 30 20 DBED C=C(Cl)CN1C[C@H]2C(NC(=O)[C@H]3CCS(=O)(=O)N3)[C@@H]2C1 962601324 BMMDUINYWOYCGG-OPRDCNLKSA-N 319.814 -0.523 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CN(C(=O)/C(C)=C/C)C[C@@H]2O)nn1 963302330 LFEMLHZAWNTDDD-MQBWTGGOSA-N 319.365 -0.268 30 20 DBED Cn1cnc(C(=O)NC[C@H]2COCCN2C(=O)C#CC2CC2)c1 964152641 XGUQFNIBMDSNBW-ZDUSSCGKSA-N 316.361 -0.209 30 20 DBED Cc1nccc(C(=O)NC[C@@H]2COCCN2C(=O)[C@@H](C)C#N)n1 964196658 JKYCHCLMSSOPNM-CMPLNLGQSA-N 317.349 -0.098 30 20 DBED C=C(Cl)CN[C@@H]1CCN(C(=O)CN2CCCS2(=O)=O)C1 968854392 IWYBHMOTEFHBQO-LLVKDONJSA-N 321.830 -0.035 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@H](NC(=O)c2cnn(C)n2)C1 968878752 SDMJDLCXQDHNNC-MNOVXSKESA-N 307.354 -0.671 30 20 DBED Cn1ccc(CC(=O)N2CC[C@]3(CN(CC#N)CCO3)C2)n1 972381963 OMYVLNZZVLCKJS-HNNXBMFYSA-N 303.366 -0.211 30 20 DBED COc1c(O)nc(O)nc1C(=O)NCC1[C@@H]2CN(CC#N)C[C@@H]12 978944954 ZWZISXWYWGUQBW-IUCAKERBSA-N 319.321 -0.672 30 20 DBED C=CCN1CCCN(C(=O)C2(n3cnnn3)CCOCC2)CC1 982155779 ASPYIZJZXFBDDJ-UHFFFAOYSA-N 320.397 -0.101 30 20 DBED C[C@@H]1CCN(C(=O)C(N)=O)[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1 984026329 NUYKVVYSAVUTRZ-KOLCDFICSA-N 317.349 -0.271 30 20 DBED N#Cc1ccc(C(=O)NC2CN(C(=O)C[C@H]3CCC(=O)N3)C2)[nH]1 990887443 LOBZMMKHRNWQRW-SECBINFHSA-N 315.333 -0.504 30 20 DBED O=C(N[C@@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1O)c1cnsn1 991307707 MOUSNFJZISKXCT-PWSUYJOCSA-N 320.374 -0.357 30 20 DBED Cc1n[nH]cc1C(=O)N[C@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1O 991652833 ZLAAYZZZYBHOBY-KBPBESRZSA-N 316.361 -0.177 30 20 DBED C=CCn1cc(C(=O)NC2CN(C(=O)[C@H]3CC[C@@H](C)O3)C2)nn1 991677352 OYVPUWMTWHPPHA-ZWNOBZJWSA-N 319.365 -0.028 30 20 DBED C=CCN[C@H]1CCCN(C(=O)[C@H]2CCN(C)S2(=O)=O)C1 1000427213 MOTVDKQCSGJYEA-NWDGAFQWSA-N 301.412 -0.213 30 20 DBED C[C@H](NC(=O)c1nc[nH]n1)C1CN(C(=O)c2c[nH]c(C#N)c2)C1 1006613318 KDDOMAHJTRECKC-QMMMGPOBSA-N 313.321 -0.105 30 20 DBED C[C@H](NC(=O)c1ccc(=O)n(C)n1)C1CN(C(=O)[C@H](C)C#N)C1 1006905324 DLTFUWWKFYAUSW-ZJUUUORDSA-N 317.349 -0.483 30 20 DBED C[C@@H]1C[C@@H](CNC(=O)c2cc(C#N)c[nH]2)CN1C(=O)CC(N)=O 1010079719 NMYMANTZOYXKEC-KOLCDFICSA-N 317.349 -0.271 30 20 DBED O=C(C#CC1CC1)N1CCN(C(=O)c2ccn3nnnc3c2)CC1 1011107422 GGCXZRMSCFQHGD-UHFFFAOYSA-N 324.344 -0.178 30 20 DBED CN1CC[C@H](C(=O)N2CCN(C(=O)C#CC3CC3)CC2)C1=O 1011107667 KXSPQSWAJFMYRS-ZDUSSCGKSA-N 303.362 -0.451 30 20 DBED C[C@@H](C#N)C(=O)N1CC=C(CNC(=O)[C@H]2COC(=O)N2)CC1 1017418980 CKZGMEONGKTPFJ-GXSJLCMTSA-N 306.322 -0.471 30 20 DBED C[C@H](C#N)C(=O)N1CC=C(CNC(=O)c2cn(C)nn2)CC1 1017426211 QGCJQNABBMWJAJ-SNVBAGLBSA-N 302.338 -0.137 30 20 DBED N#CCN[C@@H]1CC[C@H]2CN(C(=O)c3nnc(O)nc3O)C[C@@H]21 1026304086 JWHPCSLMYZJJQV-XHNCKOQMSA-N 304.310 -0.753 30 20 DBED CC#CCN1CCC[C@H]1CNC(=O)c1cnc(O)n(C)c1=O 1028069574 LREPGUCPDZGTON-NSHDSACASA-N 304.350 -0.297 30 20 DBED CC#CCN1CCC[C@@H]1CNC(=O)c1cc(=O)n2[nH]cnc2n1 1028261659 DIEIKIPCPHYVLQ-LLVKDONJSA-N 314.349 -0.365 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)[C@H]3CCCN3C)C2)C1=O 1030161413 MAXOCZAOGQFMCS-KGLIPLIRSA-N 306.410 -0.332 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)Cc3cc(C)[nH]n3)C2)C1=O 1030208567 LQZIHMXGECHSQO-AWEZNQCLSA-N 317.393 -0.152 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)c3c[nH]nc3C)C2)C1=O 1030768982 ALBQXSVISMGEIU-CYBMUJFWSA-N 303.366 -0.081 30 20 DBED CC(=O)N1CCC[C@@H](C(=O)NC[C@H]2CN(CC#N)CCO2)C1 1035437321 HBVNXAFEVRXDLO-KGLIPLIRSA-N 308.382 -0.415 30 20 DBED C[C@@H]1CN(C(=O)c2cc(=O)n3[nH]cnc3n2)CC[C@@H]1NCC#N 1036252130 AITYIYGRZPLKCT-ZJUUUORDSA-N 315.337 -0.619 30 20 DBED O=C(Cn1cnnn1)N[C@H]1[C@H]2C[C@H]1N(CC#Cc1ccccc1)C2 1037311564 MSJXEIGGIVYZGS-UXLLHSPISA-N 322.372 -0.086 30 20 DBED O=C(NC[C@]1(O)CCN(C(=O)C#CC2CC2)C1)c1cnon1 1040663939 APNUAKVSKFVYMM-CQSZACIVSA-N 304.306 -0.824 30 20 DBED Cc1cc(C(=O)N2CC[C@](O)(CNC(=O)[C@@H](C)C#N)C2)ncn1 1040759602 BOVWOHKUAMOFQD-BONVTDFDSA-N 317.349 -0.362 30 20 DBED C[C@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)CN(C)C2CCC2)C1 1040766286 OBBOEWMVWKJZOX-MLGOLLRUSA-N 322.409 -0.290 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)c3cnsn3)C2)nc1 1040939507 SGCHEYOICRIMRR-GHMZBOCLSA-N 316.346 -0.216 30 20 DBED C#CCN1CC[C@@]2(CCN(C(=O)c3cc(=O)n(C)cn3)C2)C1 1041373954 ZUEBOKJIAGMNLC-MRXNPFEDSA-N 300.362 -0.049 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CC(=O)N[C@@H](C)C2)C1 1041963020 FAYNHZOIZLQYQH-RYUDHWBXSA-N 323.393 -0.443 30 20 DBED CC#CCCCC(=O)N1CC(O)(CNC(=O)[C@H]2CCC(=O)N2)C1 1042074129 JCDIRNORJIWYOZ-GFCCVEGCSA-N 321.377 -0.852 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)c2cn(C)nc2C)C1 1042145417 MBFJNAJTJQMVBB-UHFFFAOYSA-N 306.366 -0.002 30 20 DBED C=CCN1CC[C@H](N2CC(N(C)C(=O)Cc3cc[nH]n3)C2)C1=O 1042565156 SQHWVTKUQJWCEZ-AWEZNQCLSA-N 317.393 -0.118 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)[C@H]2C[C@H](C)CO2)C1 1042937850 LYTAAMUWLMNIDZ-QWHCGFSZSA-N 308.378 -0.240 30 20 DBED C[C@@H]1C[C@H](C(=O)N2CC(O)(CNC(=O)C#CC3CC3)C2)CO1 1042963490 NXAKHLPJBJVDGO-YPMHNXCESA-N 306.362 -0.486 30 20 DBED CC(C)(C)C#CC(=O)NCC1(O)CN(C(=O)c2cnns2)C1 1042966489 YZHGSSJKEHSQGD-UHFFFAOYSA-N 322.390 -0.109 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)C23CCN(CC2)C3)C1 1044023180 IQFOADDLFXVWST-UHFFFAOYSA-N 319.405 -0.569 30 20 DBED CCn1cnc(C(=O)NCC2(O)CN(C(=O)[C@@H](C)C#N)C2)c1 1044026896 ITAJWBWITVIGCA-JTQLQIEISA-N 305.338 -0.634 30 20 DBED C#CCN[C@H]1CCN(C(=O)CN2CCCS2(=O)=O)[C@H](C)C1 1044622946 LKPXBZDCIALHSF-OLZOCXBDSA-N 313.423 -0.376 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 1045554503 FJGBQZQYFWRTDW-QCNOEVLYSA-N 307.350 -0.597 30 20 DBED CCn1ccc(CC(=O)N2CC(O)(CNC(=O)[C@H](C)C#N)C2)n1 1045560369 VPDZIPOZUHIUEE-LLVKDONJSA-N 319.365 -0.705 30 20 DBED COc1cc(C(=O)N2CC(O)(CNC(=O)[C@@H](C)C#N)C2)ccn1 1045564053 BXHIGUMLMRPOEJ-JTQLQIEISA-N 318.333 -0.447 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)c2n[nH]c3c2CCC3)C1 1045564680 LIOMAAASMARXIG-VIFPVBQESA-N 317.349 -0.639 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccnc3c2ncn3C)C1 1047525272 PXTUPCMHVQONQQ-STQMWFEESA-N 313.361 -0.281 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C2CC2)N2CCOCC2)C1 1047637067 NCOYKPMWRXKRQZ-JYJNAYRXSA-N 321.421 -0.766 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3nncn3C2)C1 1047639374 UMTSCVHGSWHUDQ-IHRRRGAJSA-N 317.393 -0.633 30 20 DBED C=CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C(N)=O)nc2)C1 1047648427 ODPSGZOWQBQBJT-KBPBESRZSA-N 318.377 -0.126 30 20 DBED C=CCOCC(=O)N(C)[C@H]1CN(C(=O)[C@@H](C)OC)C[C@@H]1O 1048554791 HPHSPUNBCLPWPF-WOPDTQHZSA-N 300.355 -0.746 30 20 DBED C=C(C)CCC(=O)N(C)[C@H]1CN(C(=O)c2cnn[nH]2)C[C@@H]1O 1048937424 KPHUYBNSKBZJEL-RYUDHWBXSA-N 307.354 -0.195 30 20 DBED C#CCCN1C[C@H]2CN(C(=O)CN3CC(=O)N(C)C3=O)C[C@H]2C1 1049169848 WZMLKFNZTYJUEG-BETUJISGSA-N 318.377 -0.706 30 20 DBED N#Cc1nccc(N2CC[C@@H]3CN(C(=O)CC(N)=O)C[C@@H]3C2)n1 1049269473 GKESDNWYVVTALH-MNOVXSKESA-N 314.349 -0.492 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC3(CCN(CC(N)=O)CC3)C2)c1 1050477222 SLQKWAJXUBFZLR-UHFFFAOYSA-N 301.350 -0.090 30 20 DBED N#CCN1CCC2(CC1)CN(C(=O)CN1CCOCC1=O)C2 1050548513 ZVTWAWTVBAWWLL-UHFFFAOYSA-N 306.366 -0.707 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)[C@H]1CCc2nnnn2CC1 1051123982 AUBUGUVFNRTTIW-QWHCGFSZSA-N 318.381 -0.924 30 20 DBED C=CCN1CCOC[C@H]1CNC(=O)[C@H]1CCCS(=O)(=O)C1 1051143637 HYVRYNMNQYFXJJ-QWHCGFSZSA-N 316.423 -0.186 30 20 DBED N#CCN1CCOC[C@@H]1CNC(=O)c1ccc2nnc(O)n2c1 1051162874 YPMHWNDISFHYRS-NSHDSACASA-N 316.321 -0.611 30 20 DBED C=CCN1CCOC[C@@H]1CNC(=O)C1CCN(C(N)=O)CC1 1051238833 ZEODREDUJCSVFI-ZDUSSCGKSA-N 310.398 -0.220 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@@H]([C@H](C)NC(=O)C(N)=O)C2)nc1 1051301356 ACAAVMHBWVSMHJ-CMPLNLGQSA-N 314.345 -0.485 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1C 1052501410 AXAOFMLHXZYYKS-VXGBXAGGSA-N 321.381 -0.158 30 20 DBED C#CCOCCC(=O)N1C[C@@H](C)[C@H](CNC(=O)c2nc[nH]n2)C1 1052599866 QDRHQAFSNQNMJS-VXGBXAGGSA-N 319.365 -0.331 30 20 DBED N#CCN1CC2(C1)CN(C(=O)c1ccc3nncn3c1)CCO2 1053470478 SYZHROLWTCFCOH-UHFFFAOYSA-N 312.333 -0.220 30 20 DBED C#CCCCC(=O)N1C[C@H]2CN(C(=O)CNC(N)=O)C[C@H]2C1 1055155307 BBEGDMAKWVNZMD-TXEJJXNPSA-N 306.366 -0.625 30 20 DBED N#Cc1nccnc1N1C[C@H]2[C@H](NC(=O)[C@H]3COC(=O)N3)[C@H]2C1 1056196075 YUOWJTURXAUXHU-MKHNBGRSSA-N 314.305 -0.993 30 20 DBED C=CCOCC(=O)N1CC[C@@H]2[C@H]1CCCN2C(=O)CNC(N)=O 1056221177 PJMLTTPJRLMZHU-VXGBXAGGSA-N 324.381 -0.551 30 20 DBED CN(c1ccc(C#N)cn1)[C@H]1CCN(C(=O)Cn2cnnn2)C1 1056849346 BXIDCONXUSTHOA-LBPRGKRZSA-N 312.337 -0.323 30 20 DBED O=C(C#CC1CC1)NCCN(CCO)C(=O)c1ccc(O)nn1 1056887648 VDQYMPIGXIBILX-UHFFFAOYSA-N 318.333 -0.854 30 20 DBED CN(c1ccnc(C#N)n1)[C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 1057013236 ZPUMBYQLEIVGJH-NXEZZACHSA-N 315.337 -0.933 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)[C@H]1CCC(=O)N1 1057200299 NBNWJGRYXMVRFA-GFCCVEGCSA-N 309.366 -0.994 30 20 DBED C#CCOCCC(=O)N(CCO)CCNC(=O)[C@@H](F)C(C)C 1057583365 OERVHPHECXMETL-AWEZNQCLSA-N 316.373 -0.043 30 20 DBED N#Cc1ccc(N2CC[C@@H](NC(=O)[C@H]3COC(=O)N3)C2)cn1 1058349986 AUQXJMWOSSPZGY-ZYHUDNBSSA-N 301.306 -0.243 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)CCc1cncn1C 1058365441 UZTCFURNUZVCQX-LBPRGKRZSA-N 321.381 -0.551 30 20 DBED CCn1ccc(C(=O)NCCN(CCO)C(=O)[C@H](C)C#N)n1 1058658860 NABODPVCXIOWDE-LLVKDONJSA-N 307.354 -0.387 30 20 DBED CCc1ncoc1C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N 1058776150 KLSHGULCCHWVQR-JTQLQIEISA-N 308.338 -0.053 30 20 DBED CC(=O)N(C)CC(=O)N1CC[C@H](CCNC(=O)[C@@H](C)C#N)C1 1059199332 DIHFAPZTQFLVHO-AAEUAGOBSA-N 308.382 -0.021 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@H](CCNC(=O)C(N)=O)C2)[nH]1 1059488720 BAZNTINWMWUECU-VIFPVBQESA-N 303.322 -0.660 30 20 DBED NC(=O)NCCC(=O)NCC[C@H]1CCN(C(=O)C#CC2CC2)C1 1059623878 COCYUQZWUYUSEY-ZDUSSCGKSA-N 320.393 -0.187 30 20 DBED C=CCO[C@H](C)C(=O)NC[C@@H]1COCCN1C(=O)c1nc[nH]n1 1061668553 RYHFXBQGNPJQPX-GHMZBOCLSA-N 323.353 -0.647 30 20 DBED Cn1nnc(C(=O)NC[C@H]2CCN(c3nccnc3C#N)C2)n1 1061705596 GZAYVFAKUGBXOR-SECBINFHSA-N 313.325 -0.872 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)CCn1cccn1 1061845285 GXZPFTVKBVQZTF-CHWSQXEVSA-N 319.365 -0.224 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)Cc1ccn(C)n1 1061848930 WYUXUSHKCRONID-YPMHNXCESA-N 319.365 -0.534 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CCCCN1C(=O)CS(C)(=O)=O 1062045062 IHRQXVHQNAIPRA-WDEREUQCSA-N 315.395 -0.312 30 20 DBED N#Cc1nccc(N2C[C@@H]3C[C@H]2CN3C(=O)c2nccnc2N)n1 1062459871 XEDWBDCKXPIGTQ-UWVGGRQHSA-N 322.332 -0.176 30 20 DBED C#CCO[C@H](C)C(=O)NC1(CNC(=O)c2[nH]nnc2C)CCC1 1063882743 AXZOQWCTPJYPMK-LLVKDONJSA-N 319.365 -0.080 30 20 DBED C=C[C@](C)(O)CC(=O)NC1(CNC(=O)C2(C(N)=O)CC2)CCC1 1064285049 DZOHZLYQNQTWAD-AWEZNQCLSA-N 323.393 -0.266 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2cnccn2)CCO1 1064789110 FAUHZDSYNKQWQF-LBPRGKRZSA-N 320.349 -0.364 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@H](CNC(=O)CCCCC(N)=O)C1 1065557836 VXJGECIKMOLMPA-NWDGAFQWSA-N 324.381 -0.465 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CN(C(=O)c2ccc(O)nc2)CCO1 1065608273 IZKYTPVOWZOGQN-ZYHUDNBSSA-N 318.333 -0.096 30 20 DBED C[C@@H](N=c1cc[nH]c(C#N)n1)[C@@H]1CCN(C(=O)c2cnn[nH]2)C1 1065784642 BYDLUHFLYHNSNE-NXEZZACHSA-N 312.337 -0.149 30 20 DBED Cn1nnc(C(=O)N2C[C@H]3CC[C@H]2CN3c2ccc(C#N)cn2)n1 1068058880 DOYJBKZSSDIOSG-NEPJUHHUSA-N 324.348 -0.030 30 20 DBED N#Cc1ccc(N2C[C@H]3C(CNC(=O)c4cnon4)[C@@H]3C2)nn1 1068180816 RHGGHDRIZGTTDG-QWRGUYRKSA-N 311.305 -0.157 30 20 DBED CCCN(C)CC(=O)N1CCOC2(C1)CN(C(=O)[C@@H](C)C#N)C2 1068420582 ROPQLNNGLOLVBF-ZDUSSCGKSA-N 322.409 -0.072 30 20 DBED CCN(C)CCC(=O)N1CC2(C[C@H](NC(=O)[C@@H](C)C#N)CO2)C1 1069007769 KJYQWGNELMSORZ-STQMWFEESA-N 322.409 -0.026 30 20 DBED C=CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)Cn2cncn2)C1 1070091599 UULHYPFOZHKHNV-OLZOCXBDSA-N 316.369 -0.513 30 20 DBED CN1CCC[C@@H]1C(=O)N1C[C@H](n2ccnn2)[C@H](NCC#N)C1 1070158440 KLPRBJMHJRIKQA-UPJWGTAASA-N 303.370 -0.763 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@@H](NC(=O)[C@H]2CCCO2)C1 1070636432 XBXFUQQXVYWJPC-CHWSQXEVSA-N 321.377 -0.588 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCC[C@@H](NC(=O)[C@@H]2CCC(=O)N2)C1 1070672253 CAWLZOLPJMZDKL-BFQNTYOBSA-N 323.393 -0.301 30 20 DBED Cn1cncc1[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)C[C@H]1NCC#N 1070711776 NVYQHISQSBGFEO-GRYCIOLGSA-N 316.365 -0.894 30 20 DBED N#CCN1CCNC(=O)CCN(C(=O)c2ccccn2)CC1 1070931037 AQELBNQLZYOYKX-UHFFFAOYSA-N 301.350 -0.131 30 20 DBED C=CCCOCC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CCNC2=O)C1 1071069326 NHILAUHMQMFOIN-CHWSQXEVSA-N 323.393 -0.178 30 20 DBED CNC(=O)C1(C(=O)N[C@H]2CN(C(=O)C#CC3CC3)C[C@@H]2C)CC1 1072049389 SSUMHBQCUJIADZ-AAEUAGOBSA-N 317.389 -0.111 30 20 DBED C#CCOCCC(=O)N1C[C@H](C)[C@H](NC(=O)c2cnn[nH]2)C1 1072094239 QTZQPFKSKFZKFR-CMPLNLGQSA-N 305.338 -0.579 30 20 DBED C=CCCOCC(=O)N1C[C@H](C)[C@@H](NC(=O)c2cnnn2C)C1 1072333507 OEVYAEOFSHFTDM-RYUDHWBXSA-N 321.381 -0.016 30 20 DBED C=CCN1CCO[C@H]2CCN(C(=O)Cn3c(O)nnc3O)C[C@@H]21 1074393097 VJCKZISEDMMLAD-QWRGUYRKSA-N 323.353 -0.823 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)[C@@H](CC)OC 1076218890 KJROESXDSMVOAC-NWDGAFQWSA-N 311.382 -0.438 30 20 DBED CC(C)C#CC(=O)NCC[C@H](C)NC(=O)[C@H]1CN(C)CCO1 1076408538 OXRKPYRYVFQMHG-UONOGXRCSA-N 309.410 -0.013 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(N(CC)C(=O)[C@@H]2CCNC2=O)C1 1080214746 QGDZYZWLWIAVDI-DGCLKSJQSA-N 321.377 -0.780 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CO)(NC(=O)c2cnco2)CC1 1080921963 IXIDRTWQTUJVGY-SNVBAGLBSA-N 306.322 -0.082 30 20 DBED C=C[C@@](C)(CC)C(=O)N1CCC(CO)(NC(=O)C(N)=O)CC1 1080976479 ZJSJFHZLGHLTBE-AWEZNQCLSA-N 311.382 -0.456 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CCC=C)C1 1081336165 UUWDXOXUBMCJRO-QWHCGFSZSA-N 321.377 -0.972 30 20 DBED C=CCCC1(C(=O)N2C[C@@H](O)[C@H](CNC(=O)CC(N)=O)C2)CC1 1081368875 UFRDSUOXDDTSBC-VXGBXAGGSA-N 323.393 -0.456 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(C(=O)c2cncnc2)C[C@H]1O 1081472565 ZJTWSOGMYMJZHY-UONOGXRCSA-N 314.345 -0.561 30 20 DBED CC(=O)NCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C#CC(C)(C)C)C1 1081473873 LDJCXXSCFFTJOP-QWHCGFSZSA-N 323.393 -0.893 30 20 DBED C=CCCC(=O)N1C[C@H](CNC(=O)C(C)(C)C(N)=O)[C@@H](O)C1 1081557753 ALLJITAXVZCKTJ-QWRGUYRKSA-N 311.382 -0.600 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2nonc2C)C1 1081579531 BRRUPLAOGZHARD-GHMZBOCLSA-N 308.338 -0.107 30 20 DBED C=C(Br)CN1C[C@H](O)[C@H](NC(=O)c2cnn[nH]2)C1 1083595855 VONDSNLBKLUQLM-BDAKNGLRSA-N 316.159 -0.512 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)c2ccnc3c2ncn3C)C1 1083770014 QHTRAPWGAWBBKQ-OLZOCXBDSA-N 313.361 -0.234 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)[C@@H]3CC(=O)N(CCOC)C3)[C@@H]2C1 1084385363 DMONSJAVSVYZLA-RBSFLKMASA-N 319.405 -0.353 30 20 DBED Cn1nnnc1CN[C@H]1C[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 1086055161 PZQKZMGDKILWPY-JGZJWPJOSA-N 314.353 -0.292 30 20 DBED CC#CCN1CC[C@H](NC(=O)CN2CCNC(=O)C2)[C@H]1CC 1087685623 UWSHWDSAHHLSJD-UONOGXRCSA-N 306.410 -0.589 30 20 DBED C[C@H](C[C@@H](C)NC(=O)C(C)(C)C(N)=O)N=c1cc[nH]c(C#N)n1 1089414299 ZXAIMEQRKMKAJF-NXEZZACHSA-N 318.381 -0.023 30 20 DBED N#Cc1ccc(N2CCCO[C@@H](CNC(=O)CC(N)=O)C2)cn1 1089532480 QKXVSLCDMIYLKR-ZDUSSCGKSA-N 317.349 -0.460 30 20 DBED CCO[C@@H](C)C(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1O 1090391238 GNGIXHXTQNVUHI-MVWJERBFSA-N 305.338 -0.561 30 20 DBED C=CCN1CC[C@@H](NC(=O)c2ccnc3c2CC(=O)N3)[C@@H](O)C1 1090393436 KYLKGLVCNDZVSR-OLZOCXBDSA-N 316.361 -0.073 30 20 DBED CC[C@H](C)OCC(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1O 1090410025 TYZMDBRCSWJQFX-CYZMBNFOSA-N 319.365 -0.171 30 20 DBED C#CCCN1CC[C@@H](NC(=O)Cc2cc(C)nn2C)[C@@H](O)C1 1090427430 KMNJFDWXEAUHGI-CABCVRRESA-N 304.394 -0.154 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2ccc(CNC(C)=O)o2)[C@H](O)C1 1090646929 MJRIVTBIHRYJSC-ZIAGYGMSSA-N 319.361 -0.286 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2c[nH]c(C)cc2=O)[C@H](O)C1 1090697523 HBKVBCREEULDDX-DZGCQCFKSA-N 303.362 -0.128 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(c2cc(C)nc(CO)n2)C[C@@H]1O 1091081497 ANNGSCQLTLHATK-NEPJUHHUSA-N 322.365 -0.854 30 20 DBED CC[C@@H]1[C@@H](NC(=O)CC(N)=O)CCN1c1cnc(C#N)cn1 1091763822 KNVDPCYXDZWFRE-WDEREUQCSA-N 302.338 -0.303 30 20 DBED CCNC(=O)CC(=O)N[C@H]1CCN(c2cncc(C#N)n2)[C@@H]1C 1091965665 LYFJHVREWZVMFI-PWSUYJOCSA-N 316.365 -0.042 30 20 DBED C#CCN1C[C@@H](C)[C@H](CNC(=O)c2nc(O)nc(O)c2OC)C1 1093131159 JFENCSLNSZSMRV-NXEZZACHSA-N 320.349 -0.173 30 20 DBED COC[C@H](OC)C(=O)N1CCN(c2cncc(C#N)n2)CC1 1093193179 CSRMKAZZHWTXLE-LBPRGKRZSA-N 305.338 -0.342 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)c3ccn(C)c3)CC2=O)C1 1094727369 KYZMKPWILJPFHR-ZDUSSCGKSA-N 300.362 -0.327 30 20 DBED N#CCN1CC(N2C[C@@H](NC(=O)Cc3cccnc3)CC2=O)C1 1094727436 LYAZMMIABGBKPQ-ZDUSSCGKSA-N 313.361 -0.451 30 20 DBED N#CCN1CC(N2C[C@@H](NC(=O)C3(F)CCOCC3)CC2=O)C1 1094743888 MZKJJALTLQWSLH-NSHDSACASA-N 324.356 -0.570 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)c3ccnc(C)n3)CC2=O)C1 1094818088 WXKQSJBTWSZXIV-GFCCVEGCSA-N 315.377 -0.014 30 20 DBED Cc1cc(C#N)nc(N[C@H]2CCCN(C(=O)CNC(N)=O)C2)n1 1095274637 PHQPITPDQGMAQY-JTQLQIEISA-N 317.353 -0.272 30 20 DBED CNC(=O)CC(=O)N1CCC[C@@H](Nc2cncc(C#N)n2)C1 1095289450 ZLZLZIVFFLORGO-SNVBAGLBSA-N 302.338 -0.113 30 20 DBED CN(CCCNC(=O)Cn1nccn1)c1nccnc1C#N 1095654043 XGRACFIVTCTERW-UHFFFAOYSA-N 300.326 -0.418 30 20 DBED Cn1nccc1CC(=O)N1CCC(N(CC#N)CCO)CC1 1098354434 BTVJPMCKGBYUQC-UHFFFAOYSA-N 305.382 -0.229 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)/C=C/C2CC2)[C@H](O)C1 1099766999 TUJSWZCPQRJEPC-BUHQSOCUSA-N 307.394 -0.194 30 20 DBED C=CCCCN1CC[C@H](NC(=O)CCNC(=O)NC)[C@H](O)C1 1099813072 JNUVJLOGCHWHAG-QWHCGFSZSA-N 312.414 -0.177 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CCCCNC(N)=O)[C@H](O)C1 1099909316 QXLVRERFYTYRNH-CHWSQXEVSA-N 310.398 -0.600 30 20 DBED N#CCN1CC[C@@H](NC(=O)CCCn2ccccc2=O)[C@H](O)C1 1099944261 KYSOMLYIVLEXPD-ZIAGYGMSSA-N 318.377 -0.297 30 20 DBED C=CCCCN1CC[C@H](NC(=O)C2CC(=O)NC(=O)C2)[C@@H](O)C1 1100029197 KLJWIJVYOJNTMI-STQMWFEESA-N 323.393 -0.443 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)c2cccnn2)[C@H](O)C1 1100041713 NCEMGWZRKONVSI-GXTWGEPZSA-N 306.366 -0.156 30 20 DBED CN1CCC[C@H]1C(=O)NCC1CC(NCC(=O)NCC#N)C1 1100186039 XJBLYCQTCKVRBH-BPCQOVAHSA-N 307.398 -0.795 30 20 DBED N#Cc1nccnc1N1CCC[C@H]1CNC(=O)Cn1cnnn1 1100776936 VKAROQSJOWQJRP-JTQLQIEISA-N 313.325 -0.880 30 20 DBED CC(=O)NCC(=O)NC[C@@H]1CCN(c2ccc(C#N)nn2)C1 1100925915 IVOPHHMTNRGXEQ-NSHDSACASA-N 302.338 -0.573 30 20 DBED CN(CCNc1cnc(C#N)cn1)C(=O)C[C@@H]1CCC(=O)N1 1101678398 RLYGOCHQUZLXAU-JTQLQIEISA-N 302.338 -0.113 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)C[C@@H](C)OC)C1 1101803890 GKLLVEFBWKWKOL-MGPQQGTHSA-N 309.410 -0.155 30 20 DBED CN1C[C@@H](C(=O)N(C)CCNc2ccc(C#N)cn2)NC1=O 1101903349 ZTIJMUSOFDYKGB-NSHDSACASA-N 302.338 -0.153 30 20 DBED CN(CCNc1ncccc1C#N)C(=O)[C@@H]1CC(=O)NC(=O)N1 1101989562 FQDDDJDXJJLMFB-JTQLQIEISA-N 316.321 -0.578 30 20 DBED CCC(=O)NCC(=O)N(C)[C@H]1CCN(c2cncc(C#N)n2)C1 1102702024 MNTRNGFEFYDJQD-LBPRGKRZSA-N 316.365 -0.088 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H](C)CN=c1cc[nH]cc1C#N 1103955832 BHYFQNSHQHKIMU-LBPRGKRZSA-N 313.361 -0.321 30 20 DBED CO[C@@H](C)C(=O)NC[C@H]1CN(c2cncc(C#N)n2)CCO1 1104295339 VARABHQMXVKNRX-JQWIXIFHSA-N 305.338 -0.295 30 20 DBED C#CCNCc1cn(C2CN(C(=O)c3ccnn3CC)C2)nn1 1105219704 MIXGXKMZQBOOFJ-UHFFFAOYSA-N 313.365 -0.086 30 20 DBED CC(=O)N(C)CC(=O)N(C)CCN(C)c1nccnc1C#N 1105329835 ZVTQGMVQAXYJJT-UHFFFAOYSA-N 304.354 -0.279 30 20 DBED N#CCSCC(=O)NC[C@@H](O)CNc1ccc(C#N)nn1 1105755655 VCWNVBBDNMBJTH-JTQLQIEISA-N 306.351 -0.506 30 20 DBED CCc1cc(C(=O)NC[C@H](O)CN=c2cc[nH]cc2C#N)n[nH]1 1105778253 PHPBVWIUQJEKAK-GFCCVEGCSA-N 314.349 -0.137 30 20 DBED CNC(=O)CC(=O)NC[C@@H](O)CNc1nc(C)ccc1C#N 1105798391 AKGMBYQMFFZELO-LLVKDONJSA-N 305.338 -0.713 30 20 DBED N#Cc1nc(=NC[C@H](O)CNC(=O)Cc2ccoc2)cc[nH]1 1105799206 XMBZDURUUVSYNW-NSHDSACASA-N 301.306 -0.505 30 20 DBED CCc1nocc1C(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1 1106084115 ZRHKGYMZZAREBE-VIFPVBQESA-N 316.321 -0.477 30 20 DBED C[C@@H](CCNc1ccc(C#N)nc1)NC(=O)[C@H]1CNC(=O)N1 1106544256 XVZRVDYZICUNLJ-JOYOIKCWSA-N 302.338 -0.059 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)C1CN(C(C)=O)C1 1106736853 QRCSLWUJHAAWEB-UHFFFAOYSA-N 316.365 -0.491 30 20 DBED C#CCN1CC(n2cc(CNC(=O)CN(C)C3CCC3)nn2)C1 1107179558 MQILOENUNDOKPU-UHFFFAOYSA-N 316.409 -0.132 30 20 DBED C#CCNC(=O)CN1CCO[C@@](C)(CNC(=O)COCC=C)C1 1107811230 KECKBYRIIOKWAO-INIZCTEOSA-N 323.393 -0.855 30 20 DBED C[C@H](CNc1ncccc1C#N)NC(=O)[C@H]1CN(C)C(=O)N1 1108041243 JFCRKQJZDIHCIU-MWLCHTKSSA-N 302.338 -0.107 30 20 DBED C=CCN1CCN(C(=O)[C@H](C)OCC)[C@@H]2CS(=O)(=O)C[C@@H]21 1108460048 IEWFNVNQMVTJFE-RWMBFGLXSA-N 316.423 -0.093 30 20 DBED COCC#CCN1CC(N2C[C@H](NC(=O)CC3CC3)CC2=O)C1 1108493013 DAFUKSKUPITOLS-CQSZACIVSA-N 319.405 -0.162 30 20 DBED C=C[C@@](C)(CC)C(=O)N[C@H]1CC(=O)N(C2CN(CC(N)=O)C2)C1 1108569046 BEZBSCHXWCBJAP-ZBEGNZNMSA-N 322.409 -0.525 30 20 DBED C=CCOCCN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1nnn(C)n1)C2 1108740500 PLRXZXVJLGUONS-XQQFMLRXSA-N 320.397 -0.005 30 20 DBED CCc1nc(C#N)cc(NC[C@H](C)NC(=O)CNC(=O)NC)n1 1108755781 MMKZHUBALXNGJS-VIFPVBQESA-N 319.369 -0.244 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@@H](C)OC 1109171057 CEEYHYIANHOPJN-MQYQWHSLSA-N 307.394 -0.118 30 20 DBED N#Cc1nccnc1NC1(CNC(=O)c2c[nH]c(=O)cn2)CC1 1110320322 MQUWGOZNFCDSLB-UHFFFAOYSA-N 311.305 -0.194 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCN1C(=O)CNC1=O 1110401432 CSJXAYKSASXNIH-KKOKHZNYSA-N 319.365 -0.581 30 20 DBED CC(=O)N[C@@H](C)C(=O)N[C@]1(C)CCN(c2nccnc2C#N)C1 1110716439 BITWRZAACPUYCE-ZUZCIYMTSA-N 316.365 -0.042 30 20 DBED CC(C)(O)CC(=O)NC[C@H]1COCCN1c1cnc(C#N)cn1 1111677560 GQTBKVSAWTWJSP-LBPRGKRZSA-N 319.365 -0.169 30 20 DBED N#CCN1C[C@@H]2CCC[C@]2(NC(=O)CC[C@H]2NC(=O)NC2=O)C1 1111975031 OVJQQDACWXLBDW-RWSFTLGLSA-N 319.365 -0.531 30 20 DBED CN(CCCN(C)c1ccc(C#N)nc1)C(=O)Cn1cnnn1 1112040758 ZJYFBUGPBGFBNW-UHFFFAOYSA-N 314.353 -0.075 30 20 DBED CN(CCCN(C)c1nccnc1C#N)C(=O)[C@H]1C[C@H]1C(N)=O 1112176816 ZZQPGQJSJNDWJA-MNOVXSKESA-N 316.365 -0.246 30 20 DBED COCC#CCN1CCN(C(=O)[C@@H]2CCNC(=O)CC2)CC1 1113153805 FIUKOYIEFGJEQW-AWEZNQCLSA-N 307.394 -0.303 30 20 DBED C[C@@H](CNC(=O)Cn1cnnc1O)N(C)c1ccnc(C#N)n1 1113569142 UCLPZUFYHSUZSB-VIFPVBQESA-N 316.325 -0.714 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCCNC1=O)N(C)c1nccnc1C#N 1113744200 LORVTTHINZOIDF-QWRGUYRKSA-N 316.365 -0.185 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)C3CCOCC3)[C@H]2C1 1113771100 ZJTJRLITRYQBOM-STQMWFEESA-N 305.378 -0.791 30 20 DBED C=CCOCC(=O)N[C@H]1[C@@H]2CN(C[C@H](O)Cn3cccn3)C[C@@H]21 1114033605 ADQZSPVGGZKMCJ-TTZDDIAXSA-N 320.393 -0.507 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@@H]2CN(Cc3ncc(C)o3)C[C@@H]12 1114158013 ONJCXJARKKVVQX-VXGBXAGGSA-N 316.361 -0.331 30 20 DBED CC(C)C#CC(=O)NC1[C@@H]2CN(C[C@@H](O)Cn3cccn3)C[C@@H]12 1114234893 SREAPJLIXYDYHZ-RBSFLKMASA-N 316.405 -0.050 30 20 DBED CC#CCCCC(=O)NC1[C@H]2CN(Cc3nnn(C)n3)C[C@H]12 1114710258 ASXUIWRUUFQNSX-RYUDHWBXSA-N 302.382 -0.050 30 20 DBED Cc1nc(C(=O)NC2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]23)cs1 1114731277 RPVCRIBRKQRIFE-NXEZZACHSA-N 319.390 -0.249 30 20 DBED CNC(=O)NCC(=O)N[C@@H](C)CCCNc1nccnc1C#N 1115108957 UOUDWTDWGHBGMX-JTQLQIEISA-N 319.369 -0.026 30 20 DBED CN(C(=O)CNC(N)=O)[C@@H](CNc1nccnc1C#N)C1CC1 1115466917 DFOVHEPYNHYQRH-NSHDSACASA-N 317.353 -0.335 30 20 DBED C[C@@H](CN(C)C(=O)CN1CCCC1=O)N=c1cc[nH]c(C#N)n1 1115605201 AINPAXHLQOXMED-NSHDSACASA-N 316.365 -0.349 30 20 DBED C#C[C@@H](CC)NC(=O)C(=O)Nc1cnn(CC(=O)NC2CC2)c1 1116774696 UMFHYQIRJPKNOF-JTQLQIEISA-N 317.349 -0.372 30 20 DBED C=CCn1cc(CNC(=O)C(=O)NCCC[C@@H](C)CO)nn1 1118175635 DVHABKPFYWZBMA-LLVKDONJSA-N 309.370 -0.395 30 20 DBED N#C[C@H]1CC[C@@H](NC(=O)C(=O)N2CCN3C(=O)NC[C@@H]3C2)C1 1118179635 AKSRSURGPPJDQU-HBNTYKKESA-N 305.338 -0.969 30 20 DBED COC1(C)CCN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)CC1 1118248833 CUGYRQUYJZJTJG-HNNXBMFYSA-N 309.366 -0.109 30 20 DBED C[C@H](CN(C)C(=O)[C@]1(C)CNC(=O)C1)N=c1cc[nH]c(C#N)n1 1120361029 SSVKVLFMFCVSRA-BMIGLBTASA-N 316.365 -0.445 30 20 DBED Cc1cc(C#N)nc(N[C@H](CO)CNC(=O)c2cnsn2)n1 1121092988 WHQSFFOZYFSMJF-VIFPVBQESA-N 319.350 -0.289 30 20 DBED CN1CC[C@H](C(=O)NC[C@@H](CO)Nc2ccc(C#N)nc2)C1 1121592254 ZJFPMEFYKACLCR-FZMZJTMJSA-N 303.366 -0.206 30 20 DBED C=CCn1c(C[C@@H]2CCNC(=O)C2)nnc1N1CCNC(=O)C1 1121650040 AVWMCUDPNSEPOV-NSHDSACASA-N 318.381 -0.531 30 20 DBED Cc1nc[nH]c1C(=O)NC[C@@H](CO)Nc1cnc(C#N)cn1 1121724571 RCSAXITURSQJSY-JTQLQIEISA-N 301.310 -0.417 30 20 DBED CCn1ccc(C(=O)NC[C@H](CO)N=c2cc[nH]cc2C#N)n1 1122052746 OZDQDUARUKLYOB-GFCCVEGCSA-N 314.349 -0.206 30 20 DBED N#Cc1nc(=N[C@@H](CO)CNC(=O)[C@H]2CCC2(F)F)cc[nH]1 1122163813 HFVUKJLNNWOQQZ-RKDXNWHRSA-N 311.292 -0.296 30 20 DBED Cc1ccc(C#N)c(N[C@@H](CO)CNC(=O)[C@H]2CCNC2=O)n1 1122353601 CFNZIGQEEWLNFI-NEPJUHHUSA-N 317.349 -0.713 30 20 DBED N#Cc1nccnc1N[C@@H](CO)CNC(=O)[C@@]12COC[C@@H]1C2 1122761307 PYYLWPQTYVVNIE-RBZYPMLTSA-N 303.322 -0.726 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)CCSC 1123205916 HAVLCULESOUUEP-SNVBAGLBSA-N 316.427 -0.154 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C[C@@H](O)CN=c1cc[nH]c(C#N)n1 1124520286 RHPRUHWOFWKMJL-NEPJUHHUSA-N 317.349 -0.960 30 20 DBED COCCc1noc(CNCCNC(=O)c2c[nH]c(C#N)c2)n1 1125988417 VGOJMIIKMZCJMJ-UHFFFAOYSA-N 318.337 -0.022 30 20 DBED C#CCCCC(=O)NCCNCC(=O)N1CCC[C@H](C(N)=O)C1 1126356147 LIOWXBKPYCOGAT-ZDUSSCGKSA-N 322.409 -0.780 30 20 DBED C#CCCN1CCOC[C@H]1c1n[nH]c(CNC(=O)[C@@H](C)OC)n1 1130831558 KCLFGZZMGRKDAI-NEPJUHHUSA-N 321.381 -0.148 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@@H](C)NC(C)=O)C[C@H]1c1cncn1C 1130908275 DTOZYPKWNIUIPG-MRVWCRGKSA-N 317.393 -0.538 30 20 DBED CCNC(=O)CCC(=O)N1C[C@@H]2C[C@@H]3CN(CC#N)C[C@]2(C1)O3 1131196845 ACDMYXBMDHPNSA-WOSRLPQWSA-N 320.393 -0.272 30 20 DBED COCCC1(C(=O)N2CCC(=O)NCCN(CC#N)CC2)CC1 1131364137 FJSWDPQUXHNWDF-UHFFFAOYSA-N 322.409 -0.023 30 20 DBED C#CCN1C[C@H](NC(=O)CCn2cc[nH]c(=O)c2=O)CC[C@H]1C 1132352944 CEXDWGUFYRJHHF-CHWSQXEVSA-N 318.377 -0.471 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cccc2c1OCC2 1134205900 XNHGFZBQESQVJZ-UHFFFAOYSA-N 301.346 -0.310 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)C#CC1CC1)NCCN1C(=O)CNC1=O 1134323125 YQNXAGVHUSXCFX-NWDGAFQWSA-N 320.393 -0.176 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NCCNCc1cnn(CC)n1 1134816974 KFJQMNCMFSSYTQ-AWEZNQCLSA-N 322.413 -0.025 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)C1(C(=O)NC)CC1 1135664422 GIIBRWHPYMFKAQ-NWDGAFQWSA-N 322.409 -0.865 30 20 DBED C[C@H](C[C@@H](C)NC(=O)C(=O)NCC1CC1)NCC(=O)NCC#N 1135788935 NCDZHAZUZJBDSP-GHMZBOCLSA-N 323.397 -0.975 30 20 DBED C=CCNC(=O)CN(CC)[C@H](C)CNC(=O)CCn1cncn1 1151901317 YJOZDFXYHCRTQD-CYBMUJFWSA-N 322.413 -0.203 30 20 DBED C=CCC[C@H](C)NCCNC(=O)CNC(=O)Cn1cncn1 1152254936 YVLZVJHMCHPKOJ-LBPRGKRZSA-N 308.386 -0.545 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)NCCCNC(=O)[C@H](C)C#N 1155860934 ZRQWADICSYBBHB-GHMZBOCLSA-N 309.370 -0.358 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)c2n[nH]c(C)c2O)C1=O 1156627280 VYPRCBXGDKYJKX-NSHDSACASA-N 321.381 -0.080 30 20 DBED CCN(CC#CCOC)[C@H](C)CNC(=O)CS(=O)(=O)CC 1157098722 VLXQBWHBXSRISL-CYBMUJFWSA-N 318.439 -0.103 30 20 DBED C=CCN(CC)[C@H](C)CNC(=O)c1cn(CC(=O)N(C)C)nn1 1157158562 CZLXYUFLAXKFAL-GFCCVEGCSA-N 322.413 -0.008 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)[C@@H]2CC(=O)N(C)C2)C1=O 1159262572 HPRCAJRKHLTOJF-OLZOCXBDSA-N 322.409 -0.653 30 20 DBED N#CCNC(=O)CNCC1(CCNC(=O)[C@H]2CCCO2)CC1 1163305253 YTGPJJWAKUFKRW-GFCCVEGCSA-N 308.382 -0.319 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)C1CCN(C)CC1 1165776493 JITJTVWIAJITTN-CYBMUJFWSA-N 308.426 -0.438 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@@H]1CCC[C@@H](C(N)=O)C1 1167505061 RGQJBXNZYAGWRH-CHWSQXEVSA-N 322.409 -0.877 30 20 DBED C#CCNC(=O)CNCCCNC(=O)Cc1csc(C)n1 1175528949 RYSCUTZMYGAELK-UHFFFAOYSA-N 308.407 -0.161 30 20 DBED C#CCNC(=O)CNCCCC[C@H](C)NC(=O)Cn1cncn1 1176476187 QKTXLSBXXDVOCC-ZDUSSCGKSA-N 320.397 -0.708 30 20 DBED C=CCC[C@@H](C)NCCCNC(=O)CNC(=O)Cn1cncn1 1176894470 SPMCKKDBMHCJTK-CYBMUJFWSA-N 322.413 -0.155 30 20 DBED C#CCCN[C@H]1CCN(C(=O)[C@H](C)NS(=O)(=O)CC)[C@H]1C 1178753399 MGNWLUMHNCBSFJ-AVGNSLFASA-N 315.439 -0.084 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CCC(=O)N2C)[C@H]1C 1179393173 UYWFZQASROFKFF-RWMBFGLXSA-N 322.409 -0.512 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)CCCn2ccnn2)C1 1183206229 HUGJENFJWYMCLI-CQSZACIVSA-N 305.382 -0.101 30 20 DBED C#CCNC[C@H]1CCN(C(=O)Cn2ncn(C)c2=O)C[C@H]1C 1184682490 DTMMPXCKOSEJHH-CHWSQXEVSA-N 305.382 -0.711 30 20 DBED Cc1cc(O)ncc1C(=O)N1CC[C@@H](NCC(=O)NCC#N)C1 1185586692 ULGPBANWVGMKQK-LLVKDONJSA-N 317.349 -0.461 30 20 DBED C=CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3cnccn3)[C@@H]2C1 1186676594 KNFSNLIYDSGZAJ-GXTWGEPZSA-N 315.377 -0.075 30 20 DBED COCC#CCN1C[C@@H]2CCN(C(=O)[C@H]3CN(C)CCO3)[C@@H]2C1 1187431569 AHLBFBYBVVSWFG-ARFHVFGLSA-N 321.421 -0.501 30 20 DBED COCC#CCN(C)[C@H]1CCN(C(=O)CN2CCOCC2)C1 1189717906 UTTQRXMMVZJGTK-HNNXBMFYSA-N 309.410 -0.499 30 20 DBED CN(CC(=O)NCC#N)[C@@H]1CCN(C(=O)CC2OCCCO2)C1 1189819695 WRZFBQIKFYVAKU-GFCCVEGCSA-N 324.381 -0.688 30 20 DBED C=CCNC(=O)[C@@H](C)N(C)[C@H]1CCN(C(=O)c2cnnn2C)C1 1189932461 GSAZWEPTRVEODQ-NEPJUHHUSA-N 320.397 -0.348 30 20 DBED C[C@H](C(=O)NC(N)=O)N(C)[C@@H]1CCN(C(=O)C#CC2CC2)C1 1190076784 VQABOZIOBJZCHO-ZYHUDNBSSA-N 306.366 -0.484 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)c2cc(C)no2)C1 1190989906 KLSZOBUUCIWDEY-QJPTWQEYSA-N 322.365 -0.551 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)[C@@H](OC)C(C)C)C1 1192160829 FKQLYMWPTUAUGM-ZFWWWQNUSA-N 309.410 -0.061 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@H](NC(C)=O)C2CCCC2)C1 1194544893 METDUIDHACETST-BZUAXINKSA-N 321.421 -0.134 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)Cc2ncccc2F)C1 1195615282 PYSJBFDGXNBUJK-HUUCEWRRSA-N 321.352 -0.426 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)CCCn2nc(C)nc2C)C1 1197672645 AFGDNMIWXZNMNN-HUUCEWRRSA-N 319.409 -0.140 30 20 DBED C=CCCCN1C[C@@H](O)[C@H](NC(=O)CS(=O)(=O)N(C)C)C1 1198248612 UDYNZXWCPGYETP-VXGBXAGGSA-N 319.427 -0.995 30 20 DBED C[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H]1CN(CC#N)C[C@H]1O 1198392999 OKGRYXJLFKAJQN-IACUBPJLSA-N 316.361 -0.510 30 20 DBED C#CCN[C@H]1C[C@@H](NC(=O)CN(C)S(C)(=O)=O)C12CCC2 1202995592 ODSBVDLOGJFIJK-NWDGAFQWSA-N 313.423 -0.472 30 20 DBED C#CCOCCC(=O)N1CCC[C@@H](NCC(=O)NCC=C)C1 1208032176 MHGCIVUTSVMKIP-CQSZACIVSA-N 307.394 -0.091 30 20 DBED N#CCNC(=O)CN[C@H]1CCCN(C(=O)c2cc(F)c[nH]2)C1 1208587712 KCTXRYSQBZPMGJ-NSHDSACASA-N 307.329 -0.012 30 20 DBED CO[C@H](C(=O)N1CCC[C@H](NCC(=O)NCC#N)C1)C(C)C 1209447364 ZGNFGFJZJMOTMH-JSGCOSHPSA-N 310.398 -0.122 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)c1ncccn1 1209648828 IDUHUOGAWMJGCV-GHMZBOCLSA-N 302.338 -0.834 30 20 DBED CO[C@@H]1CN([C@@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)C#CC1CC1 1212246658 YBDMUQQODNSFPV-JHJVBQTASA-N 319.361 -0.980 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1C 1214543655 ICYPHSFLOVRSDE-IJLUTSLNSA-N 318.381 -0.997 30 20 DBED CC#CCN[C@@H]1CN(C(=O)c2cn(C)c(=O)nc2O)C[C@H]1C 1216744333 IBKWDUMNURNPSR-ZYHUDNBSSA-N 304.350 -0.441 30 20 DBED COCC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H](C)COC 1217544857 ZPBFXXYNFQRGMH-QLFBSQMISA-N 310.394 -0.170 30 20 DBED N#CCSCC(=O)N[C@@H]1CN(CCOCC2CC2)C[C@@H]1O 1219218036 IMPMTGQUYIBGSA-OLZOCXBDSA-N 313.423 -0.169 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)c2cc3n(n2)CCO3)C1 1219810544 UNBRCWOTLDQUTR-OLZOCXBDSA-N 322.365 -0.747 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1CN(CCN2CCCC2=O)C[C@@H]1O 1220148171 ZOBQKBNSHCYLBN-OLZOCXBDSA-N 309.410 -0.018 30 20 DBED CC#CCCCC(=O)N[C@@H]1CN(Cc2nc(O)n[nH]2)C[C@@H]1O 1220184471 JJLHUXQEMPIYTE-MNOVXSKESA-N 307.354 -0.635 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)CCCC#CC)C1 1220184861 UIPNERSQQAWKQV-KGLIPLIRSA-N 305.378 -0.909 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)[C@@H](C)c2cncnc2)C1 1220211934 USKNVTXIUVGSAP-CFVMTHIKSA-N 318.377 -0.609 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@H]2CCN(Cc3nnnn3C)C[C@H]21 1221539435 ZHGYAFYWDDWSMB-JHJVBQTASA-N 318.381 -0.719 30 20 DBED C=CCN1CC[C@@H]2CCN(C(=O)CN(C)S(C)(=O)=O)C[C@@H]21 1222809964 IKGGBMOZMLSRTM-OLZOCXBDSA-N 315.439 -0.013 30 20 DBED COCC#CCN1CCC(CNC(=O)[C@H]2CN(C)C(=O)N2)CC1 1224013678 FASNSPFZUBYJKG-CQSZACIVSA-N 322.409 -0.512 30 20 DBED C#CCNC(=O)CC(=O)NC1CCN(Cc2nonc2C)CC1 1226961483 DUJNTRWSLOUCFZ-UHFFFAOYSA-N 319.365 -0.402 30 20 DBED CC(C)(C)C#CC(=O)NC1CCN(CC(=O)NC(N)=O)CC1 1227281366 SMUISTSCLSHJMO-UHFFFAOYSA-N 308.382 -0.189 30 20 DBED C#CCOCCNC(=O)C(=O)NCCCCn1ccnc1C 1260310551 ZWEGAKRZGLOUSR-UHFFFAOYSA-N 306.366 -0.146 30 20 DBED N#C[C@H]1CC[C@@H](NC(=O)C(=O)NCC(=O)N2CCCCC2)C1 1261446275 VKWCMDKMFYGDES-NWDGAFQWSA-N 306.366 -0.076 30 20 DBED C=CCN(C(=O)CCNC(=O)COC)[C@H]1CCS(=O)(=O)C1 1318550053 ULPFILGOJMCVOI-NSHDSACASA-N 318.395 -0.659 30 20 DBED C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)Nc1cnn(CC#N)c1 1319439334 NUYHCABYGIZVOR-GWCFXTLKSA-N 316.365 -0.056 30 20 DBED COCCn1cc(NC(=O)C(=O)NCCCC#N)ccc1=O 1320339530 YVKBBTRHOYMFNV-UHFFFAOYSA-N 306.322 -0.147 30 20 DBED COCCO[C@@H]1COCC[C@H]1NC(=O)Cn1cnc(C#N)n1 1320461648 QQDLIYHHPOMERV-GHMZBOCLSA-N 309.326 -0.914 30 20 DBED Cc1cc(NC(=O)C(=O)N2CC[C@](F)(CO)C2)n(CCC#N)n1 1321275168 LBIRRLILOBOOQL-CQSZACIVSA-N 323.328 -0.023 30 20 DBED C=CCOC[C@@H](NC(=O)C[C@@H]1CCS(=O)(=O)C1)C(=O)OC 1322484663 MHABZADJJOKRAY-WDEREUQCSA-N 319.379 -0.328 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCC(c2nc(C)no2)CC1 1323027408 QSOCRXNZNFJOOW-UHFFFAOYSA-N 320.349 -0.150 30 20 DBED C[C@H](O)CN(C(=O)C(=O)N1CCC[C@](C)(C#N)C1)[C@@H](C)CO 1325083705 MKYFKRGOSDKICA-SLEUVZQESA-N 311.382 -0.271 30 20 DBED N#CCOc1cccc(NC(=O)C(=O)N2C[C@H](O)C[C@H]2CO)c1 1326089908 QJVAQXYTRJBVFV-NWDGAFQWSA-N 319.317 -0.518 30 20 DBED C=C[C@H](CO)NC(=O)C(=O)Nc1cnn(C[C@H]2CCCO2)c1 1327472912 CCODYAGTZJRCIE-ZYHUDNBSSA-N 308.338 -0.336 30 20 DBED Cc1nnc(CNCCS(=O)(=O)c2ccc(C#N)cn2)n1C 1327977053 DUAZKVAJRFXEKV-UHFFFAOYSA-N 320.378 -0.046 30 20 DBED C#CC1CCN(C(=O)C(=O)N2CC[C@@](C)(C(=O)NC)C2)CC1 1328426341 OPJIEZYFWSCVND-MRXNPFEDSA-N 305.378 -0.157 30 20 DBED C=CCSCCn1nnnc1N1CCS(=O)(=O)CC1 1333990915 XMKXCMQSSUQURS-UHFFFAOYSA-N 303.413 -0.173 30 20 DBED C#CCn1ccc(CN(CC)C(=O)C(=O)NCC[S@@](C)=O)n1 1341917558 ZJOWJDFFSHBFNY-JOCHJYFZSA-N 324.406 -0.641 30 20 DBED COC(=O)C1(C#N)CCN(C(=O)CN2CCN(C)C(=O)C2)CC1 1362442612 IJUZWZPTVPHAIZ-UHFFFAOYSA-N 322.365 -0.934 30 20 DBED CS(=O)(=O)c1ncnn1[C@@H](C(N)=O)c1ccc(C#N)cc1 1364615438 UGKFADPSZLLKCM-SNVBAGLBSA-N 305.319 -0.372 30 20 DBED C[C@@H]1C[C@@H](NS(=O)(=O)N2CCO[C@H](C#N)C2)c2nccn21 1364866263 SMTKKGUVDZAUFZ-GMTAPVOTSA-N 311.367 -0.052 30 20 DBED CC(=O)NCC(=O)N(C)[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 1396788639 DSFVLZVKHWEMMN-GFCCVEGCSA-N 317.349 -0.305 30 20 DBED COc1coc(C(=O)N(C)CCNC(=O)[C@H](C)C#N)cc1=O 1398018372 XUILCSGXSMPAKI-SECBINFHSA-N 307.306 -0.004 30 20 DBED N#C[C@@H]1COCCN1C(=O)c1ccnc2c(C(N)=O)cnn12 1412532108 KCLSGOPTMAYBTE-MRVPVSSYSA-N 300.278 -0.807 30 20 DBED C[C@@H](CNC(=O)CCN1CCOCC1)CNC(=O)[C@@H](C)C#N 1416482425 OXJRKHDSUIMOGC-STQMWFEESA-N 310.398 -0.263 30 20 DBED C[C@@H]1C[C@H](CNC(=O)Cn2cc(C#N)c(O)nc2=O)[C@@H](C)O1 1418091571 VFKCCFWNCHOGEX-OPRDCNLKSA-N 306.322 -0.250 30 20 DBED COC(=O)CNC(=O)[C@H]1CCCN1C(=O)c1c[nH]c(C#N)c1 1418094590 MTEKBTWPESHEFK-LLVKDONJSA-N 304.306 -0.220 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1ncc2ccccn12 1433309884 QKFUDFMMOICTHI-ZYHUDNBSSA-N 315.333 -0.299 30 20 DBED CC[C@H]1CN(C)CCN1C(=O)CCn1cc(C#N)c(O)nc1=O 1434022669 XWGOPBMWKGBREO-LBPRGKRZSA-N 319.365 -0.237 30 20 DBED CCN(CCC#N)C(=O)CN1CC(NC(=O)c2ccon2)C1 1443458555 PQLOZJWHCGDLQT-UHFFFAOYSA-N 305.338 -0.149 30 20 DBED C[C@H]1OCC[C@]1(C)NC(=O)CCn1cc(C#N)c(O)nc1=O 1447594836 RMBJGWGAQXBQIC-OTYXRUKQSA-N 306.322 -0.106 30 20 DBED CNC(=O)NCC(=O)N1CCC[C@@H](CN(C)C(=O)[C@@H](C)C#N)C1 1454234911 XLAXYUJRIHDPRF-RYUDHWBXSA-N 323.397 -0.228 30 20 DBED Cc1nc[nH]c1CNC(=O)CCn1cc(C#N)c(O)nc1=O 1465604293 JXMNVKVULYUTPS-UHFFFAOYSA-N 302.294 -0.441 30 20 DBED CCCN(CCNC(=O)[C@@H](C)C#N)[C@H](C)C(=O)NC(=O)NC 1493279964 KBWMOPNTYGDDNW-WDEREUQCSA-N 311.386 -0.182 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNCc1nc(C(C)(C)C)n[nH]1 1496955659 SBIZXVYOFWXOKK-UWVGGRQHSA-N 308.386 -0.171 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@@H]1CCN(C(=O)c2c[nH]c(C(N)=O)c2)C1 1523106024 NZVBTYJJKKCHJY-MWLCHTKSSA-N 317.349 -0.054 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N1CC[C@]2(CCOC2=O)C1 1527586688 PMGQNUNJTRDDNB-ZDUSSCGKSA-N 316.379 -0.064 30 20 DBED C=C(C)C[C@H](NC(=O)c1cn(C[C@H]2CNC(=O)O2)nn1)C(=O)O 1573324844 ZXBJUMSUOYPXHH-BDAKNGLRSA-N 323.309 -0.464 30 20 DBED C[C@H](C#N)C(=O)N1CC(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1573562327 SHMNRRNSYIMTTC-SSDOTTSWSA-N 314.309 -0.705 30 20 DBED N#Cc1nc(NC(=O)c2cc3ncccn3n2)[nH]c1-c1nn[nH]n1 1581860825 VCJBGLLAIGJWTD-UHFFFAOYSA-N 321.264 -0.244 30 20 DBED C#CCN(CC(=O)O)S(=O)(=O)C[C@@H](OC)C1CCOCC1 1588424999 AMERQHIMIWRRCR-GFCCVEGCSA-N 319.379 -0.222 30 20 DBED C[C@](C#N)(CC(=O)O)C(=O)NCc1nc([C@@H]2CCOC2)n[nH]1 1588542399 ZFWQWWKIGFHJMY-AMIZOPFISA-N 307.310 -0.071 30 20 DBED C=CCNC(=O)CNC(=O)NCc1nc(-c2nn[nH]n2)cs1 1588660018 VGKWXWPEXMIILB-UHFFFAOYSA-N 322.354 -0.575 30 20 DBED CN1CCC(C#N)(NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 1591171422 RMEJZFSRQYXAKT-UHFFFAOYSA-N 300.326 -0.087 30 20 DBED Cc1[nH]c(-c2nn[nH]n2)cc1C(=O)N1CC[C@](O)(CC#N)C1 1591781719 NNXUCUDFKGVBQD-CYBMUJFWSA-N 301.310 -0.006 30 20 DBED N#CC1(CC(=O)N2CCN(C(=O)C(=O)O)CC2)CCOCC1 1594603618 HDLDBNHUISQASN-UHFFFAOYSA-N 309.322 -0.548 30 20 DBED N#Cc1ccc(S(=O)(=O)CCN2C[C@H]3[C@@H](C2)[C@@H]3C(=O)O)nc1 1601110754 KAOTUVGSSKQEGP-PJXYFTJBSA-N 321.358 -0.011 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)NS(=O)(=O)[C@@H](C)C(=O)O 1602755417 SRWRPQXOHKXCCP-IONNQARKSA-N 306.340 -0.624 30 20 DBED C[C@@H]1C[C@H](NCC#N)CN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1 1603859118 YWPHOBYRMYJSNT-BDAKNGLRSA-N 300.326 -0.089 30 20 DBED N#CCC1(O)CN(C(=O)c2cccn2CCN2CCOCC2)C1 1650021204 QOMPLUMLVKEMHC-UHFFFAOYSA-N 318.377 -0.079 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@@H](CNC(=O)Cn2ccnc2)C1 1753141498 YUNUHUDSOVHBOE-KGLIPLIRSA-N 317.393 -0.541 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)N1C[C@@H]2CC[C@H](C1)N2CC(N)=O 1753309451 GGJBSESOLUOUQY-MJBXVCDLSA-N 322.409 -0.382 30 20 DBED C#CCNC(=O)CN1CC(NC(=O)c2snnc2C2CC2)C1 1753380604 WNLJDYIRRHAIHC-UHFFFAOYSA-N 319.390 -0.421 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC(CNC(=O)[C@H](C)n2cncn2)C1 1753400133 XYPRSCZLBBGYOI-NEPJUHHUSA-N 320.397 -0.422 30 20 DBED C=CCNC(=O)[C@H](C)NC[C@H](C)CNC(=O)C1=COCCO1 1753611976 CZFMOFZCTHGJJT-RYUDHWBXSA-N 311.382 -0.093 30 20 DBED C#CCN1CCO[C@H](CNC(=O)CS(=O)(=O)CCC)C1 1753658176 MZAHJHPHBNYIIE-GFCCVEGCSA-N 302.396 -0.739 30 20 DBED CC#CCN[C@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C[C@@H]1C 1753761064 KOMRUXDITOYIIM-AAEUAGOBSA-N 305.378 -0.111 30 20 DBED C[C@@H](NC(=O)CNC[C@H](O)CNC(=O)C#CC1CC1)C1CC1 1753910647 ACMSTCFVPZZMIS-RISCZKNCSA-N 307.394 -0.619 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H](O)CNCc1nonc1C 1753913304 CUZPHDTWVIEUGE-OCCSQVGLSA-N 321.381 -0.958 30 20 DBED CC(C)n1cccc1C(=O)NC[C@H](O)CNCC(=O)NCC#N 1753936631 BCBIKTCADJEXPG-GFCCVEGCSA-N 321.381 -0.611 30 20 DBED C=CCNC(=O)CN1C[C@H]2C[C@H]1[C@H]2NC(=O)C(C)(C)NC(C)=O 1754429481 OFHXYBITXMWXEL-DYEKYZERSA-N 322.409 -0.608 30 20 DBED CC(C)C#CC(=O)N(C)C1CN(CCNS(C)(=O)=O)C1 1754574932 JKULLQYDRNNSDF-UHFFFAOYSA-N 301.412 -0.662 30 20 DBED COCC#CCNC[C@@H]1CCCN1C(=O)[C@H]1CN(C)CCO1 1754607595 FTAYSLQZPYYZAS-LSDHHAIUSA-N 309.410 -0.453 30 20 DBED C=C[C@](C)(O)CC(=O)NC1(C)CCN(CC(=O)NCC#N)CC1 1754626076 PXOFIKRMEHUCHZ-INIZCTEOSA-N 322.409 -0.076 30 20 DBED C=CCC1(C(=O)NCC2(O)CN(C[C@@H](C)O)C2)CCOCC1 1754776634 JEBNRGCIEKZEJP-CYBMUJFWSA-N 312.410 -0.097 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@H](CCNCc2nc(O)n[nH]2)C1 1754915396 VPBPDNLWMAIZBC-RYUDHWBXSA-N 321.381 -0.123 30 20 DBED N#CCNC(=O)CN1CCOC[C@H]1CNC(=O)c1ccns1 1754968074 WTIAQPOHVNMPRA-SNVBAGLBSA-N 323.378 -0.787 30 20 DBED N#CCNC(=O)CNC1(CNC(=O)c2ccncn2)CCC1 1754988860 NPNZDYITEVIIAV-UHFFFAOYSA-N 302.338 -0.642 30 20 DBED COc1cncc(C(=O)N2CCC[C@](CO)(NCC#N)C2)n1 1755089677 UJDSMSLMBAFQRV-AWEZNQCLSA-N 305.338 -0.435 30 20 DBED N#CCN[C@@]1(CO)CCCN(C(=O)c2ccc(C(N)=O)nc2)C1 1755092610 OEWFZGUSMNQIBZ-HNNXBMFYSA-N 317.349 -0.739 30 20 DBED C#CCNC(=O)CN[C@@H](C)CN(C)C(=O)[C@@H](C)NC(=O)CC 1755589114 MSQGQMRICAVYHO-NWDGAFQWSA-N 310.398 -0.913 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](CO)NCCn1cccn1 1755639750 XFFVDRQPGXLRTR-MJBXVCDLSA-N 308.382 -0.459 30 20 DBED N#CCN1CCC(C2(NC(=O)C[C@@H]3NC(=O)NC3=O)CC2)CC1 1755868606 AJCLMBZJDZTRGG-NSHDSACASA-N 319.365 -0.531 30 20 DBED C#CCOCCC(=O)N(C)[C@H](C)CNC(=O)C(=O)NCC1CC1 1756060804 MELFUCZWOOJNHU-GFCCVEGCSA-N 323.393 -0.484 30 20 DBED CC(C)C#CC(=O)N1CCO[C@@H]([C@@H](C)NC(=O)CNC(N)=O)C1 1756218518 YDIBBCOWSPROBK-VXGBXAGGSA-N 324.381 -0.954 30 20 DBED C=CC(C)(C)C(=O)NC[C@@H](O)CN(C)C(=O)c1cn(C)nn1 1756660987 PUGXAXAQKLWISX-SNVBAGLBSA-N 309.370 -0.424 30 20 DBED Cc1c(C#N)c(=O)n(C[C@H]2CN(C)C(=O)O2)c(=O)n1C1CC1 1771831701 VQSPOZJYRBTATG-SNVBAGLBSA-N 304.306 -0.024 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cc(C)no1 1793890374 LIBFFRUHVPFQBC-DRXBFXEBSA-N 317.345 -0.252 30 20 DBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(F)F)C2)C1 1839807109 SVRNABSBRNFNDZ-AWEZNQCLSA-N 316.304 -0.269 30 20 DBED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)c2ccncc2)C1 1842398010 WHOWEARQODFVBT-UHFFFAOYSA-N 313.313 -0.013 30 20 DBED CN(C)CCCN(CCC#N)C(=O)Cn1ccc(=O)[nH]c1=O 68239647 HCRTVVXYGWVDBA-UHFFFAOYSA-N 307.354 -0.769 30 20 DBED CCN(C[C@@H](C)C#N)[C@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O 245754132 HDZXZGPIYBYCKN-VHSXEESVSA-N 321.381 -0.281 30 20 DBED C=CCN(C(=O)[C@@H]1CC[C@H](CN)O1)[C@H]1CCS(=O)(=O)C1 261848534 RGSUMEJZHMQNQC-TUAOUCFPSA-N 302.396 -0.306 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H]2CCCC[C@H]2O)C1=O 265903232 VXUCJBNHUDEGGN-WDEREUQCSA-N 323.349 -0.370 30 20 DBED C#CCOc1ccccc1NC(=O)C(=O)N[C@H]1CCN(C)C1=O 274906650 GEYXPEWBNOBMLL-LBPRGKRZSA-N 315.329 -0.016 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)C(C)(C)OC(C)=O)CC1 275359138 VZCVFXAFTCBHCB-UHFFFAOYSA-N 323.393 -0.388 30 20 DBED C#CCN1CCN(C(=O)c2c(Br)nnn2C)CC1 311091070 IEIDWIZLTDHWEC-UHFFFAOYSA-N 312.171 -0.031 30 20 DBED O=S(=O)(NCC(O)=Nc1cccnc1)N1CCOCC1 328773905 DTYQKCLRGDGUEX-UHFFFAOYSA-N 300.340 -0.164 30 20 DBED CN1CCO[C@@H](C/N=C(/O)c2cnc3n(c2=O)CCS3)C1 329085695 UJPRPXWMJHDJDW-VIFPVBQESA-N 310.379 -0.016 30 20 DBED O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1C/C(O)=N/Cc1nc(O)n[nH]1 330058474 ZAJDJTBTGPNMED-JRPBRRGXSA-N 317.305 -0.226 30 20 DBED COC[C@H](/N=C(/O)N1CC[C@H](S(N)(=O)=O)C1)[C@@H]1CCCO1 330369546 BZGXTRSZDJFJEY-DCAQKATOSA-N 321.399 -0.543 30 20 DBED C[C@@H](C/N=C(/O)c1coc(S(N)(=O)=O)c1)N1CCOCC1 330479309 LWZAKLDAAZBRTI-VIFPVBQESA-N 317.367 -0.048 30 20 DBED CC/N=C(/O)N1CCN(S(=O)(=O)C[C@H](C)C(=O)OC)CC1 331205363 CUCBCYKCDXDYGU-JTQLQIEISA-N 321.399 -0.323 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1CCN(C)C[C@@H]1C 337080843 XSAXGULQGDKFKD-LBPRGKRZSA-N 304.416 -0.271 30 20 DBED CNS(=O)(=O)c1cc(C(=O)Nc2nc(C#N)c(C#N)[nH]2)co1 339596645 HSYSZGPARHVKMX-UHFFFAOYSA-N 320.290 -0.094 30 20 DBED C=CCCOCCNC(=O)C(=O)N(C)CCNC(=O)N(C)C 342017557 HSRGSMIWUYUZSH-UHFFFAOYSA-N 314.386 -0.575 30 20 DBED Cn1cc(C#N)c(=O)n(CC(=O)NCc2ccc(C#N)cc2)c1=O 342711077 UOUVYYFPFWXJIZ-UHFFFAOYSA-N 323.312 -0.393 30 20 DBED C=CCNC(=O)NC(=O)CN(C1CC1)[C@@H](C)CS(C)(=O)=O 354586802 TYYXBWQHJCNDPT-JTQLQIEISA-N 317.411 -0.104 30 20 DBED N#Cc1cc([N+](=O)[O-])cnc1NCCNC(=O)c1cc[nH]n1 355554416 ATULTIQISBFMKX-UHFFFAOYSA-N 301.266 0.426 30 20 DBED C=CC1CCN(C(=O)C(=O)N2CCN([C@H]3CCNC3)CC2)CC1 423311985 UUWKEZRIUBOAQP-HNNXBMFYSA-N 320.437 -0.083 30 20 DBED Cc1cc(=NC(=O)CN2CCN(C(=O)NCCC#N)CC2)[nH]o1 426452955 BAJIODSHOSTEJI-UHFFFAOYSA-N 320.353 -0.416 30 20 DBED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N(C)CCO 445920822 XRTBLTCYJKTIDJ-UHFFFAOYSA-N 321.333 -0.027 30 20 DBED C#CCNC(=O)CCN1CCC(CNS(C)(=O)=O)CC1 491201128 FOIFTXYLYRQUFQ-UHFFFAOYSA-N 301.412 -0.613 30 20 DBED N#Cc1ccccc1OC[C@@H](O)CN1CCOC[C@@H]1CC(N)=O 528516971 LNEORFRNUKGHEV-KBPBESRZSA-N 319.361 -0.126 30 20 DBED N#Cc1ccc(S(=O)(=O)CCN2CC[C@H](CC(N)=O)C2)nc1 588975669 FJBUIYMGPQUDAW-LLVKDONJSA-N 322.390 -0.076 30 20 DBED CCOC(=O)[C@H](CO)NC[C@@H](O)COc1ccc(C#N)cc1 592430273 SHQFPGJPKYQYRX-OCCSQVGLSA-N 308.334 -0.188 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N[C@H](CCC(=O)O)C(=O)O 593254384 AKKUYLJQQUJAFX-JGVFFNPUSA-N 307.328 -0.627 30 20 DBED CN(C)CC[C@@H](N)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 593900204 LPEUKVOMWPOGLN-CQSZACIVSA-N 316.409 -0.119 30 20 DBED Cn1c(N2CC[C@H]3NC(=O)CC[C@H]3C2)c(C#N)c(=O)n(C)c1=O 596457074 CYHPFERKTQADLL-GXSJLCMTSA-N 317.349 -0.939 30 20 DBED COCCN(CC#N)C(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1 600005435 QFNSOFTUSCGOLE-NSHDSACASA-N 305.338 -0.228 30 20 DBED CN(C[C@H]1CCC[C@H]1O)C(=O)C(=O)N1CCN(CCC#N)CC1 601476197 JJPLAWIEECXYJO-ZIAGYGMSSA-N 322.409 -0.336 30 20 DBED COCC[C@H](C)CNC(=O)C(=O)N1CCN(CCC#N)CC1 602276457 CXZDFOYTJVYFAO-ZDUSSCGKSA-N 310.398 -0.167 30 20 DBED CS(=O)(=O)N1CCCC[C@H]1C(=O)N1CCO[C@H](C#N)C1 609269298 RALQXPAJLORUNV-MNOVXSKESA-N 301.368 -0.449 30 20 DBED Cn1cc(C#N)c(NC(=O)NCCN2CCCS2(=O)=O)n1 610565335 ZROZVVVTKWCZOJ-UHFFFAOYSA-N 312.355 -0.551 30 20 DBED N#C[C@@]1(F)CCN(C(=O)C(=O)Nc2cccc(C(N)=O)n2)C1 615634715 IGOFXXDVPNYBBU-ZDUSSCGKSA-N 305.269 -0.417 30 20 DBED C=C(C)Cn1c(COCCOC)nnc1N1CCNC(=O)C1 634384427 YUSXLRXLUSWXAD-UHFFFAOYSA-N 309.370 -0.047 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)nn1 648291645 ADMVUXGWDSMDGW-NSHDSACASA-N 315.337 -0.267 30 20 DBED C=C(Cl)CNC(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 736399179 UEAMVDDYUAASBW-VIFPVBQESA-N 323.802 -0.269 30 20 DBED C#CCNC(=O)[C@@H](C)OC(=O)c1cccc(CS(N)(=O)=O)c1 748971592 WUTCHTMZPATMDH-SNVBAGLBSA-N 324.358 -0.230 30 20 DBED Nc1ncc(C=NNC(=S)NCCN2CCOCC2)cn1 781577690 XIKKBZFFJOOXCM-UHFFFAOYSA-N 309.399 -0.811 30 20 DBED COCCN(C)c1ccc(C=NNC(=S)NCC(N)=O)cn1 790162164 QPQLQQWAGRHEAB-UHFFFAOYSA-N 324.410 -0.553 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N1CC(=O)N(C)C[C@H]1C 800123193 RYSTYFZPNAONDL-GHMZBOCLSA-N 302.400 -0.125 30 20 DBED C#CCCCNC(=O)C(=O)N1CCN(CCC(=O)OC)C[C@H]1C 806908530 IOTAZILAVODXRG-CYBMUJFWSA-N 323.393 -0.388 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)C[C@H]1CCCC(=O)N1 808690006 IZCATAMXYUNPOZ-NXEZZACHSA-N 311.338 -0.011 30 20 DBED C#CCNC(=O)CCNC[C@@H]1CCC[C@]12NC(=O)N(C)C2=O 819129450 JCTPRUVESITIIW-NHYWBVRUSA-N 306.366 -0.564 30 20 DBED C[C@](C#N)(CC(=O)O)C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 819811900 WPSVGPBGFDTEHV-XHDPSFHLSA-N 323.349 -0.159 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)/C=C\OCC)CC1 831575135 YKAAAEHWLVENOE-WZUFQYTHSA-N 301.368 -0.852 30 20 DBED C#CCNC(=O)[C@@H](C)OC(=O)CCCCCS(N)(=O)=O 845192577 HCYCWCYDEKXXIF-SNVBAGLBSA-N 304.368 -0.484 30 20 DBED Cc1ccn(C[C@](C)(O)C(=O)N[C@H]2CCCN(O)C2=O)c(=O)c1 848134721 YBBYHAVVNJCLKF-NHYWBVRUSA-N 323.349 -0.596 30 20 DBED C#CCO[C@H](C)C(=O)N1CCS(=O)(=NS(C)(=O)=O)CC1 854592211 HYVZMGJUEOLPSJ-SNVBAGLBSA-N 322.408 -0.706 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC(CN2CCN(C)CC2)C1 854641718 FOYWMUYCNWOBLC-INIZCTEOSA-N 304.438 -0.210 30 20 DBED C=C(C)COCCNS(=O)(=O)CCS(=O)(=O)N(C)C 881990239 DLWISGKSOMAJAN-UHFFFAOYSA-N 314.429 -0.610 30 20 DBED C#CCSCC(=O)N[C@H](C)C(=O)N[C@@H](C)C(=O)OCC 890277088 GTKHNGZCTDJUDB-ZJUUUORDSA-N 300.380 -0.075 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCCCC[C@H]2CO)C1=O 911959369 SAFKSJJEURADGI-NSHDSACASA-N 323.349 -0.273 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)NCCO[C@H]1CCOC1 931094005 NAXYDDSFEJPYHQ-OLZOCXBDSA-N 312.366 -0.547 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(O)nn1 936292330 KRTRGLUGJNCXDU-GUBZILKMSA-N 301.306 -0.233 30 20 DBED N#Cc1cc(C(=O)N2CC[C@@H](NC(=O)[C@@H]3COCCO3)C2)c[nH]1 939504750 NMMXSNPIGRPXAB-YPMHNXCESA-N 318.333 -0.368 30 20 DBED C[C@H](C#N)C(=O)N1CCCN(C(=O)[C@H]2COCCN2C)CC1 940806190 BGGYHRGWSZYKSZ-CHWSQXEVSA-N 308.382 -0.462 30 20 DBED CC#CCN1CC[C@@H](NC(=O)Cn2ncn(C)c2=O)[C@H](C)C1 942200780 PAKDSNKXUNKELL-CHWSQXEVSA-N 305.382 -0.568 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)c1 942439425 KXCRGINHOJPMEG-MXWKQRLJSA-N 315.333 -0.662 30 20 DBED CO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1NC(=O)C1CCN(C)CC1 942547400 BDQYGIZXCJYMFV-MRVWCRGKSA-N 322.409 -0.170 30 20 DBED C=CCN1CC[C@H](NC(=O)CN2CC(=O)N(C)C2=O)[C@@H](C)C1 944136321 SJOCRUVOKZDWGA-RYUDHWBXSA-N 308.382 -0.107 30 20 DBED C=CCCN1CC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C[C@H]1C 948070180 NDSQAFJPWKJPHQ-VXGBXAGGSA-N 320.397 -0.078 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](CNC(=O)c2cc(=O)n(C)cn2)C1 958149735 WCFBYUGTXAJMCW-DGCLKSJQSA-N 306.366 -0.621 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2ccc(CNC(C)=O)o2)C1 958485410 LLBLXBHQGXHMQQ-TZMCWYRMSA-N 319.361 -0.429 30 20 DBED C=C1CC(C)(C(=O)N2C[C@H](O)[C@H](NC(=O)C3=COCCO3)C2)C1 961357857 UUTNTKZQYLXKDJ-NEPJUHHUSA-N 322.361 -0.081 30 20 DBED Cn1nnc(C(=O)N[C@H]2[C@@H]3CN(Cc4ccccc4C#N)C[C@@H]32)n1 961504757 LTFHYSZKPYCLLY-WDNDVIMCSA-N 323.360 -0.058 30 20 DBED CC#CCN1C[C@H]2[C@H](NC(=O)[C@H]3CCc4nnn(C)c4C3)[C@H]2C1 961604580 CIBCPBFZLWOYNR-BCUIYNNISA-N 313.405 -0.010 30 20 DBED O=C(N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O)c1cnsn1 961715423 NETCLUQBWLDXGN-MNOVXSKESA-N 306.347 -0.747 30 20 DBED C=C(C)CCN1C[C@H]2C(NC(=O)[C@@H]3CCS(=O)(=O)N3)[C@@H]2C1 962609347 SMBNQAFAZLLVGB-UTUOFQBUSA-N 313.423 -0.309 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC2(CN(C(=O)Cn3ccnc3)C2)C1 965476917 JHHGOVJSFIWHMH-LBPRGKRZSA-N 317.349 -0.517 30 20 DBED C[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1NC(=O)c1cnn[nH]1 966316597 JIJSUUYEZBWOAO-QPUJVOFHSA-N 313.321 -0.105 30 20 DBED C[C@H]1CN(C(=O)c2cnn[nH]2)C[C@@H]1NC(=O)c1c[nH]c(C#N)c1 966573390 PRRSRVUUANECPR-UFBFGSQYSA-N 313.321 -0.105 30 20 DBED C[C@@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)[C@]1(C)CNC(=O)C1)C2 969811408 MBPIKMSMDJDLEM-YWDSYVAPSA-N 318.377 -0.126 30 20 DBED C=C(C)CN1CCO[C@]2(CCN(C(=O)[C@H]3COC(=O)N3)C2)C1 972358855 UJOIMVWWZHSACH-IUODEOHRSA-N 309.366 -0.026 30 20 DBED CN(CC#N)[C@@H]1CCN(C(=O)c2cn([C@@H]3CCOC3)nn2)C1 972692313 ZPLRFENKAZQOJI-VXGBXAGGSA-N 304.354 -0.091 30 20 DBED CC#CCN1C[C@H](NC(=O)CN2C(=O)CCC2=O)C(C)(C)C1 977576599 TTZCIKLVEJPUFF-LBPRGKRZSA-N 305.378 -0.015 30 20 DBED CC1(C)NC(=O)N(CC(=O)N[C@H]2CCC[C@@H](NCC#N)C2)C1=O 981503276 SBBDLGFLWHTSHO-MNOVXSKESA-N 321.381 -0.143 30 20 DBED O=C(NC[C@@H]1CCN(C(=O)C#CC2CC2)C1)C1CS(=O)(=O)C1 982745287 MQVICTLXMYPNHS-LBPRGKRZSA-N 324.402 -0.591 30 20 DBED CN(CC#N)C1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)CC1 985793949 WVFRXSRCYXHYIV-NSHDSACASA-N 300.384 -0.876 30 20 DBED C[C@H]1[C@@H](NCC#N)CCN1C(=O)Cc1ccc(C(N)=O)nc1 986416705 XCGXVYIDUYKHES-JQWIXIFHSA-N 301.350 -0.174 30 20 DBED C=C(C)CN[C@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)[C@@H]1C 987577117 RVQMELIFYZOWTJ-MNOVXSKESA-N 306.370 -0.468 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2COCCO2)C1 992063100 PQZPMXHCNYQNAR-HZSPNIEDSA-N 324.377 -0.290 30 20 DBED O=C(NC1CN(C(=O)C#CC2CC2)C1)[C@@H]1CN2CCC[C@H]2CO1 993579812 NNGLOONWJKPKOT-GJZGRUSLSA-N 317.389 -0.410 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)Cc2cnc[nH]2)C1 1000576880 GYJBZUZKQAGOGN-OLZOCXBDSA-N 304.350 -0.130 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCC1CN(C(=O)c2nc[nH]n2)C1 1002827437 ULOZBABHFKQDEY-LBPRGKRZSA-N 316.365 -0.910 30 20 DBED CN(C[C@H]1CCCN1C(=O)C(N)=O)C(=O)c1cc(C#N)c[nH]1 1002909563 FMPPLGHMKDYFIW-SNVBAGLBSA-N 303.322 -0.565 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCC1CN(C(=O)[C@H]2CCNC2=O)C1 1004524586 MJPBQFGZKDEDPJ-AGIUHOORSA-N 321.377 -0.712 30 20 DBED Cn1ncc(C(=O)NCC2[C@H]3CN(C(=O)C#CC4CC4)C[C@H]23)n1 1009251785 BGXVDNSAFVFJRN-CHWSQXEVSA-N 313.361 -0.337 30 20 DBED Cn1nnc(C(=O)NCC2[C@H]3CN(C(=O)C#CC4CC4)C[C@H]23)n1 1009378766 MJWUEGRELUVGOA-VXGBXAGGSA-N 314.349 -0.942 30 20 DBED CC#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CCC1=O 1018252034 MNXMJVQIYDXEEU-BETUJISGSA-N 303.362 -0.166 30 20 DBED C=CCN1CC[C@@H](NC[C@@H]2CCN(C(=O)c3cnon3)C2)C1=O 1027130958 LACZOBSBJZZIQD-NWDGAFQWSA-N 319.365 -0.092 30 20 DBED C#CCN1CC[C@@H](N(C)C(=O)c2ccc(-n3cnnn3)cn2)C1 1033296727 YGNMVLGQJIIFRD-CYBMUJFWSA-N 311.349 -0.163 30 20 DBED C#CCCN1CC[C@@H](N(C)C(=O)c2cn(C)c(=O)nc2O)C1 1033662756 ZVZBJZUNFFZQFZ-LLVKDONJSA-N 304.350 -0.345 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)[C@@H]2CC(=O)N(CCC)C2)C1 1035523318 QKKFPRBJNVSGBA-KGLIPLIRSA-N 307.394 -0.305 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2CN(C[C@H](C)OC)CCO2)nn1 1035535244 HEIQIQOTIVSQPG-STQMWFEESA-N 323.397 -0.070 30 20 DBED C#CCN1CCO[C@H](CNC(=O)c2c(OC)ncnc2OC)C1 1035623865 JCVPYLBDBLSTOA-LLVKDONJSA-N 320.349 -0.442 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)Cn3c(O)nnc3O)CC[C@H]21 1036879667 RYUHFCPRBGFZSU-GHMZBOCLSA-N 305.338 -0.755 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)CCc2ccon2)C1 1040294559 ODRRGYUDVFNUKN-NHYWBVRUSA-N 320.349 -0.154 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)[C@H]2C[C@H]2OCC)C1 1042802907 OZFNTMWSDIVUPM-QWHCGFSZSA-N 308.378 -0.096 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)C2(C3CC3)CC2)C1 1043036074 HWQNSAPNFRTWPE-UHFFFAOYSA-N 320.389 -0.094 30 20 DBED C=CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)CSC)C1 1043568851 POEAKNOIIKWLNQ-JTQLQIEISA-N 302.396 -0.370 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)[C@H]2CCCC(=O)N2C)C1 1044706361 XPDWFQDDXDNEQV-GFCCVEGCSA-N 323.393 -0.347 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)c2cc3c([nH]2)CCC3)C1 1045547260 YLXMROFMINNGLI-JTQLQIEISA-N 316.361 -0.034 30 20 DBED C#CCN1CC[C@@H](N2CCN(C(=O)[C@H]3CCCNC3=O)CC2)C1 1046037700 WOUMGJAQQYESEO-CABCVRRESA-N 318.421 -0.636 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)[C@@H]2CN(C)C[C@@H]2C)C1 1046685251 RCKFEGKINQWAAV-UONOGXRCSA-N 321.421 -0.467 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)c2cncnc2)C[C@@H]1O 1049393996 GQRNZNSHNKQCTA-DLOVCJGASA-N 303.322 -0.720 30 20 DBED C=CCOCC(=O)N1CC[C@@H]([C@H](C)NC(=O)c2cnn(C)n2)C1 1050298157 SACWAKAFGNQXPL-NWDGAFQWSA-N 321.381 -0.016 30 20 DBED C#CCCN1CCC2(CC1)CN(C(=O)Cn1cnnc1O)C2 1050494289 OQYRWUHJPOOPKX-UHFFFAOYSA-N 303.366 -0.069 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)[C@H]1CN(C(C)C)CCO1 1051082350 YWEOEEZCQUAROY-HUUCEWRRSA-N 309.410 -0.454 30 20 DBED N#CCN1CCOC[C@@H]1CNC(=O)c1ccc2nc(O)[nH]c2n1 1051089977 RAKDPIJHMKDVAR-VIFPVBQESA-N 316.321 -0.382 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1C 1051921399 KSUUOYXLNWVNIJ-QWHCGFSZSA-N 318.381 -0.457 30 20 DBED CN1C[C@H](C(=O)N2CC[C@H](N3CCN(CC#N)CC3)C2)CC1=O 1052036055 YICHQQVDKRBQQE-KGLIPLIRSA-N 319.409 -0.793 30 20 DBED C=C(C)CN1CCN([C@@H]2CCN(C(=O)[C@@H]3CCNC3=O)C2)CC1 1052059300 GJKIOHMJBYRCTA-HUUCEWRRSA-N 320.437 -0.083 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)c1cc[n+]([O-])cc1)CCO2 1053140632 CLAWORMDWMTYOH-UHFFFAOYSA-N 301.346 -0.130 30 20 DBED C[C@H](O)CN1CC2(C1)CN(C(=O)c1cc(C#N)c[nH]1)CCO2 1053210246 ZHPFYMLHHDQTKX-NSHDSACASA-N 304.350 -0.206 30 20 DBED C[C@@H](C(=O)N1CCOC2(CN(CC#N)C2)C1)[C@H]1CCC(=O)N1 1053442805 PSSHKYXSKNTFSA-VXGBXAGGSA-N 306.366 -0.662 30 20 DBED C#CCCN1CC2(CC[C@@H](CNC(=O)[C@@H]3CNC(=O)N3)O2)C1 1053655464 LOAPIEPFEFAGAN-RYUDHWBXSA-N 306.366 -0.959 30 20 DBED COCCC(=O)NCCN1CCC(NC(=O)[C@@H](C)C#N)CC1 1055477513 MYNPDWJMDNIQJC-LBPRGKRZSA-N 310.398 -0.121 30 20 DBED C=CCCC(=O)N[C@@]1(CO)CCCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 1055823639 HKJIJSQETBLWSK-WQGACYEGSA-N 323.393 -0.456 30 20 DBED N#CCSCC(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)CC(N)=O 1056248961 SPQIGJNAXREDKY-MNOVXSKESA-N 324.406 -0.290 30 20 DBED C=C[C@](C)(O)CC(=O)NCCN(CCO)C(=O)C(C)(F)F 1056783122 DUWTZXCPWZEWQP-LBPRGKRZSA-N 308.325 -0.094 30 20 DBED C#CCO[C@H](C)C(=O)NCCN(CCO)C(=O)c1ncoc1C 1057129245 XXKKXTKRFOTAJX-GFCCVEGCSA-N 323.349 -0.428 30 20 DBED Cn1cc(C(=O)NCCN(CCO)C(=O)C#CC(C)(C)C)nn1 1057539464 ZBPOKYJIXLEJDD-UHFFFAOYSA-N 321.381 -0.585 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)c1cncn1C 1058029602 KALFWOQPVTZRFR-UHFFFAOYSA-N 306.366 -0.226 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)[C@H](C)S(C)(=O)=O 1058042992 UDJPYSJDGHWMDC-NSHDSACASA-N 320.411 -0.677 30 20 DBED CNC(=O)C1(C(=O)N(CCO)CCNC(=O)C#CC(C)C)CC1 1058076658 ASGQUIACLQJSDO-UHFFFAOYSA-N 323.393 -0.891 30 20 DBED C=CCCCC(=O)N(CCO)CCNC(=O)[C@H](C)NC(C)=O 1058621749 PRJNJLWZEBUOJG-LBPRGKRZSA-N 313.398 -0.196 30 20 DBED N#Cc1cncc(NC[C@@H]2CCN(C(=O)Cc3nc[nH]n3)C2)n1 1060918169 HZLUYYZPTMLOQY-JTQLQIEISA-N 312.337 -0.031 30 20 DBED C=CCCC(=O)N1CCOC[C@H]1CNC(=O)[C@H]1CCC(=O)N1C 1061798890 IJPSDYYVAJJDCK-CHWSQXEVSA-N 323.393 -0.083 30 20 DBED C[C@H](N=c1cc[nH]c(C#N)n1)C1CCN(C(=O)CC(N)=O)CC1 1061831890 OSUFNABCFRYRSH-JTQLQIEISA-N 316.365 -0.315 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)c1cc(=O)n(C)o1 1061846792 HOKLZCNSEWVUEJ-UWVGGRQHSA-N 322.321 -0.905 30 20 DBED C[C@]1(NC(=O)[C@H]2COC(=O)N2)CCN(c2ccc(C#N)nn2)C1 1065250977 MMJGFTYGCMUTSZ-YGRLFVJLSA-N 316.321 -0.458 30 20 DBED Cc1cc(C#N)nc(N2C[C@H]3CN(C(=O)CC(N)=O)C[C@H]3C2)n1 1065980272 YZIQRXLFHRDVGN-PHIMTYICSA-N 314.349 -0.573 30 20 DBED N#Cc1cnc(N2C[C@H](O)[C@H](CNC(=O)c3ccon3)C2)cn1 1067654088 SBUHAHUAGUCGDQ-SKDRFNHKSA-N 314.305 -0.437 30 20 DBED C[C@@H]1[C@H](Nc2nccnc2C#N)CCN1C(=O)CS(C)(=O)=O 1068775328 WFIHRJPHEJLYCL-NXEZZACHSA-N 323.378 -0.206 30 20 DBED C=CCCC(=O)N1CC2(C[C@H](NC(=O)c3cn(C)nn3)CO2)C1 1068846963 AMGJPPVSCRXSDL-NSHDSACASA-N 319.365 -0.119 30 20 DBED N#Cc1cc(C(=O)NCc2cnn3c2CN(CCO)CC3)c[nH]1 1069858021 YWYICJJCQCQTQB-UHFFFAOYSA-N 314.349 -0.179 30 20 DBED C=CCn1cc(C(=O)NCC2(NC(C)=O)CCOCC2)nn1 1069926581 LQCOCHXNUHSINE-UHFFFAOYSA-N 307.354 -0.121 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)[C@H]4CCC(=O)N4C)C[C@@]3(C1)O2 1070841552 QDBHAZDMAGGUEB-VMUDFCTBSA-N 317.389 -0.458 30 20 DBED CC#CCN1CCNC(=O)CCN(C(=O)[C@@H]2CCOC2)CC1 1070947126 KJXWOEVYUIQVHU-CQSZACIVSA-N 307.394 -0.303 30 20 DBED CO[C@H](C)CN1CCNC(=O)CCN(C(=O)[C@@H](C)C#N)CC1 1070947280 PUSNEAATBLEBDZ-QWHCGFSZSA-N 310.398 -0.169 30 20 DBED C=CCOCC(=O)N[C@H]1CN(C(=O)c2nnn(C)c2C)C[C@@H]1C 1071854248 XODSYCDDPNTMTL-JQWIXIFHSA-N 321.381 -0.097 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](NC(=O)COC(C)C)[C@H](C)C1 1071937023 XBNXMCIOQCSWQW-CHWSQXEVSA-N 323.393 -0.486 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CN(C(=O)C2(CF)CC2)C[C@H]1C 1072709119 JDRGZYCTNYIJOM-NEPJUHHUSA-N 323.368 -0.161 30 20 DBED CC#CCN1CCO[C@H]2CCN(C(=O)CCn3cnnn3)C[C@H]21 1074369423 WHZVHRWQBJWUIQ-KGLIPLIRSA-N 318.381 -0.612 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CCN(C(=O)[C@H](C)C#N)CC1 1074706381 KHUFXSNDRAUDDO-CHWSQXEVSA-N 321.377 -0.346 30 20 DBED CC#CCN1C[C@@H]2CCN(C(=O)Cn3c(O)nnc3O)[C@@H]2C1 1076500766 OQZDOENPZWLLNC-WDEREUQCSA-N 305.338 -0.755 30 20 DBED C[C@@H](CCNC(=O)[C@H](C)C#N)NC(=O)CN1CCC(=O)NC1=O 1078136914 YIUPXDCJTKQFFS-ZJUUUORDSA-N 323.353 -0.901 30 20 DBED CCN(C(=O)C#CC(C)C)C1CN(C(=O)[C@H]2CN(C)C(=O)N2)C1 1079732517 FHHAATIAJZFGBB-CYBMUJFWSA-N 320.393 -0.271 30 20 DBED C=CCCC(=O)N1CCC(CO)(NC(=O)c2cnn(C)n2)CC1 1080912994 QLTZWUBFNKKPRN-UHFFFAOYSA-N 321.381 -0.135 30 20 DBED CCOCC(=O)NC[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1O 1081219666 ASPZJFWANZLKTP-GXFFZTMASA-N 320.349 -0.528 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)COC(C)C)C[C@@H]1O 1081344323 ONEGAWIGHHAGIJ-STQMWFEESA-N 314.382 -0.451 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2ocnc2C)C[C@@H]1O 1081347590 XWHIIAYVTFNIRZ-NEPJUHHUSA-N 323.349 -0.265 30 20 DBED C#CCCN1C[C@@H](NC(=O)[C@H]2CCN(C)C(=O)C2)[C@H](OC)C1 1081863576 AUWIEDZDKVOYRX-BFHYXJOUSA-N 307.394 -0.307 30 20 DBED C=C(C)CCN1C[C@@H](NC(=O)[C@@H]2CN(C)C(=O)N2)[C@H](OC)C1 1082023907 ZKNBIYVDYVYMEE-FRRDWIJNSA-N 310.398 -0.208 30 20 DBED C=CCOCC(=O)NC[C@@H]1CCCCN1C(=O)Cn1ncnn1 1082093394 QRVRWQVFHHADHY-LBPRGKRZSA-N 322.369 -0.627 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)c2c(C)c(C)nn(C)c2=O)C1 1083689155 FNVXCACPUCGSID-OLZOCXBDSA-N 318.377 -0.805 30 20 DBED C#CCOc1ncccc1C(=O)N[C@@H]1CN(C[C@@H](C)O)C[C@@H]1O 1083967312 ANPIBNWCLSUXRO-BNOWGMLFSA-N 319.361 -0.751 30 20 DBED N#CCN1C[C@@H](NC(=O)[C@H]2CNC(=O)N2)CC2(CCOCC2)C1 1089952647 KYSLVZAIKJGUPW-NWDGAFQWSA-N 321.381 -0.821 30 20 DBED C=CCN1CC[C@H](NC(=O)c2ccnn2CCOC)[C@@H](O)C1 1090348778 FRXFTORAOHBWNJ-JSGCOSHPSA-N 308.382 -0.120 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)c2nnc(O)nc2O)[C@H](O)C1 1090397021 QTTRGTRXMBWOOR-DTWKUNHWSA-N 309.326 -0.976 30 20 DBED CCN(CC)CC(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1O 1090430740 YSVMBTRBOSJFGS-CHWSQXEVSA-N 318.381 -0.644 30 20 DBED CCOCCCC(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1091081635 DSPREWHUNLHGHE-NEPJUHHUSA-N 319.365 -0.169 30 20 DBED C=C(C)CNC1CC(CNC(=O)[C@@H]2CCS(=O)(=O)N2)C1 1091369898 ILNSWTRUQJLRAK-MCIGGMRASA-N 301.412 -0.261 30 20 DBED N#Cc1nccnc1N[C@H]1C[C@@H](CNC(=O)Cn2nccn2)C1 1091374370 PBVCOQCYHOKWID-PHIMTYICSA-N 312.337 -0.053 30 20 DBED CNC(=O)CC(=O)N[C@H]1CCN(c2cnc(C#N)cn2)[C@@H]1C 1091959098 GNURUVAAFSEDPB-KOLCDFICSA-N 302.338 -0.432 30 20 DBED CCNC(=O)CC(=O)N[C@H]1CCN(c2nccnc2C#N)[C@@H]1C 1091966024 ZPBSWAUCELXZTP-MNOVXSKESA-N 316.365 -0.042 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)Cc3nc[nH]n3)c3nccn32)C1 1092407531 NEJZJDDECRTDMG-NSHDSACASA-N 311.349 -0.551 30 20 DBED CC(=O)N1CCOC[C@H]1C(=O)NCCNc1nccnc1C#N 1093653237 LGCYVKJVNHVEJC-LBPRGKRZSA-N 318.337 -0.876 30 20 DBED CC#CCN1CCN(C(=O)c2cocn2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094614735 MFZRUICYLOUCCH-QWHCGFSZSA-N 323.374 -0.379 30 20 DBED CC#CCN1CC(N2C[C@@H](NC(=O)c3cnccn3)CC2=O)C1 1094699938 ZOLCSYBCAVUJFW-LBPRGKRZSA-N 313.361 -0.485 30 20 DBED CC#CCN1CC(N2C[C@@H](NC(=O)c3ccnn3C)CC2=O)C1 1094711585 ISHGIIAJHODCDA-LBPRGKRZSA-N 315.377 -0.542 30 20 DBED CN(CCCNC(=O)[C@@H]1CNC(=O)N1)c1ccc(C#N)cn1 1095715729 VIZMZORNTNDAHS-NSHDSACASA-N 302.338 -0.423 30 20 DBED CN(CCCNC(=O)C(N)=O)c1ccc(C#N)cc1[N+](=O)[O-] 1095719282 YJMLCCNEKJRHFB-UHFFFAOYSA-N 305.294 -0.106 30 20 DBED CCN(CCCNC(=O)[C@H]1CNC(=O)N1)c1ccc(C#N)cn1 1095960097 QXKVWXQVWHDGNZ-GFCCVEGCSA-N 316.365 -0.033 30 20 DBED CC(=O)N[C@H](C)C(=O)N[C@H]1CCN(c2cncc(C#N)n2)C1 1096317702 YEKQDVLPRWFOHA-KOLCDFICSA-N 302.338 -0.432 30 20 DBED CC(=O)N[C@@H](C)C(=O)N1CC[C@H](N=c2cc[nH]c(C#N)n2)C1 1096913558 KUEOUCJNBJCJQW-ONGXEEELSA-N 302.338 -0.692 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CCCS1(=O)=O)Nc1cnc(C#N)cn1 1097883315 KMTVHROOBBJCFS-ONGXEEELSA-N 323.378 -0.158 30 20 DBED CC(=O)N1CC[C@@H](C(=O)NC[C@@H](C)N=c2cc[nH]c(C#N)n2)C1 1097986563 CXEQAVACXWDZOF-ZYHUDNBSSA-N 316.365 -0.445 30 20 DBED C[C@H](CNC(=O)CN1CCCNC1=O)Nc1cncc(C#N)n1 1098420167 HRFATLIRZMMXGU-SNVBAGLBSA-N 317.353 -0.320 30 20 DBED C[C@@H](CCNC(=O)[C@H](C)NC(N)=O)Nc1nccnc1C#N 1099041128 PPKVVNGFJZSTBN-IUCAKERBSA-N 305.342 -0.288 30 20 DBED C[C@H](CCNC(=O)Cn1cncn1)Nc1nccnc1C#N 1099147752 WZEJRSUSRLPYGS-SNVBAGLBSA-N 300.326 -0.053 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)c2ccccc2)[C@@H](O)C1 1099622678 BSBBUVLFMJLSMQ-CABCVRRESA-N 315.373 -0.399 30 20 DBED Cn1cc(CN2CC[C@@H](NC(=O)C#CC(C)(C)C)[C@@H](O)C2)nn1 1099829777 IINJZJVSGVXJPQ-KGLIPLIRSA-N 319.409 -0.084 30 20 DBED CC(=O)NCCCCCC(=O)N[C@H]1CCN(CC#N)C[C@@H]1O 1100101683 QXHRWBCCDFEYSH-KBPBESRZSA-N 310.398 -0.242 30 20 DBED C[C@H]1C[C@@H](C(=O)NCCN(C)c2cncc(C#N)n2)CC(=O)N1 1100211500 PFERDLIYCFTBRA-WDEREUQCSA-N 316.365 -0.185 30 20 DBED COC[C@@H](OC)C(=O)NC[C@H]1CCN(c2ccc(C#N)nn2)C1 1101049778 BFKPBBKVQLXAPQ-DGCLKSJQSA-N 319.365 -0.048 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H]2CN(C(=O)COC)C[C@]2(C)C1 1101098595 FMDQEHPGGGSXPA-ZENOOKHLSA-N 307.394 -0.449 30 20 DBED CN(CCNc1cncc(C#N)n1)C(=O)[C@H]1CCCS1(=O)=O 1101642225 UULLRCUKDWSWDS-LLVKDONJSA-N 323.378 -0.204 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(Cc2nc(O)n[nH]2)C[C@H]1C 1101961865 LBFKMQVVVBKWED-VXGBXAGGSA-N 321.381 -0.266 30 20 DBED CN1CC[C@H](C(=O)N(C)CCN=c2cc[nH]c(C#N)n2)CC1=O 1102026463 OQQNWADFPBIYKU-NSHDSACASA-N 316.365 -0.491 30 20 DBED C[C@@H](CNC(=O)[C@H]1COCCN1C)CNc1nccnc1C#N 1103923484 YXAIPXHXANGOIA-DGCLKSJQSA-N 318.381 -0.157 30 20 DBED C[C@H](CN=c1cc[nH]cc1C#N)N(C)C(=O)CS(C)(=O)=O 1104498061 QOXGKRLYTCNWOX-SNVBAGLBSA-N 310.379 -0.321 30 20 DBED C=C(C)CNCc1cn(C2CN(C(=O)[C@H]3CCNC3=O)C2)nn1 1105297125 HUQVHBULVQLPLV-ZDUSSCGKSA-N 318.381 -0.537 30 20 DBED C=CCOCC(=O)N(C)CCN(C)c1nccn2nnnc12 1105351432 SYMPMYPMDNSMHT-UHFFFAOYSA-N 305.342 -0.384 30 20 DBED C#CCCNCc1cn(C2CN(C(=O)[C@H]3CCN(C)C3)C2)nn1 1105372367 BTRLOYSFXDQWFI-ZDUSSCGKSA-N 316.409 -0.274 30 20 DBED CN(CCN(C)c1ccc(C#N)cn1)C(=O)CCn1cnnn1 1105445897 BPMNBVVSKMYOQK-UHFFFAOYSA-N 314.353 -0.075 30 20 DBED CNC(=O)CCCC(=O)NC[C@@H](O)CN=c1cc[nH]cc1C#N 1105795175 VGVZPWUWQLXVML-LBPRGKRZSA-N 319.365 -0.820 30 20 DBED CC(=O)N[C@@H](C)C(=O)N[C@@H](C)CCN=c1cc[nH]c(C#N)n1 1106209452 YFERPKOBBOELCK-UWVGGRQHSA-N 304.354 -0.399 30 20 DBED C[C@H](CCN=c1cc[nH]cc1C#N)NC(=O)[C@H]1COC(=O)N1 1106313144 IIEKFWKKQWGFMX-BXKDBHETSA-N 303.322 -0.210 30 20 DBED C[C@@H](CCNc1cnc(C#N)cn1)NC(=O)[C@H]1C[C@H]1C(N)=O 1106570242 RHPTZKPARRZJST-GDPRMGEGSA-N 302.338 -0.224 30 20 DBED C[C@@H](C(=O)NC/C=C/CN=c1cc[nH]c(C#N)n1)n1cncn1 1107162803 UYKXSTCWECNTCB-VUDBWIFFSA-N 312.337 -0.293 30 20 DBED C#CCO[C@@H](C)C(=O)NCc1cn(C2CN(C[C@H](C)O)C2)nn1 1107169729 QEBOMWSQYILILC-RYUDHWBXSA-N 321.381 -0.830 30 20 DBED C#CCN1CC(n2cc(CNC(=O)CN(C)C(C)C)nn2)C1 1107238898 VVDZEBNIWVCSMJ-UHFFFAOYSA-N 304.398 -0.276 30 20 DBED N#Cc1cnc(NC/C=C/CNC(=O)[C@H]2C[C@H]2C(N)=O)cn1 1107517350 PCIYBRPCVIREGW-OIDVMBJGSA-N 300.322 -0.446 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)[C@H]1CCCC(=O)N1C 1107883703 ABYOJOYLHUFRKC-GHMZBOCLSA-N 316.365 -0.302 30 20 DBED C[C@@H](CC(=O)N[C@H](C)CNc1cnc(C#N)cn1)NC(N)=O 1107950595 OYKWPSLEGXVPMC-DTWKUNHWSA-N 305.342 -0.288 30 20 DBED Cc1nc(O)[nH]c1C(=O)N[C@H](C)CN=c1cc[nH]c(C#N)n1 1107979026 XBZPNJULHCYIPS-SSDOTTSWSA-N 301.310 -0.262 30 20 DBED CC(C)C(=O)N(C)CC(=O)NC[C@@]1(C)CN(CC#N)CCO1 1107979141 AZNKZNIPLVONJZ-HNNXBMFYSA-N 310.398 -0.169 30 20 DBED C[C@]1(CNC(=O)[C@H]2CCc3nn[nH]c3C2)CN(CC#N)CCO1 1108341358 YAHHEZJYTNABNC-NHYWBVRUSA-N 318.381 -0.360 30 20 DBED C=CCN1CCO[C@@](C)(CNC(=O)CC[C@H]2NC(=O)NC2=O)C1 1108385980 VFRHUSHIQJLFSO-ABAIWWIYSA-N 324.381 -0.632 30 20 DBED C=CCCC(=O)N[C@H]1CC(=O)N(C2CN(CC(=O)N(C)C)C2)C1 1108519533 FLKQWFJBRMTJBM-LBPRGKRZSA-N 322.409 -0.558 30 20 DBED COCCOCC(=O)N[C@H](C)CN(C)c1cncc(C#N)n1 1108882238 MRQZZFXCZWHADJ-LLVKDONJSA-N 307.354 -0.048 30 20 DBED CCNC(=O)CCC(=O)N(C)CCCN=c1cc[nH]c(C#N)n1 1109403145 RHMJVDDZXBBUFC-UHFFFAOYSA-N 318.381 -0.053 30 20 DBED CCc1nc(C#N)cc(N2CC[C@@](O)(CNC(=O)COC)C2)n1 1111033564 RNOBRMMFBJOEPE-OAHLLOKOSA-N 319.365 -0.386 30 20 DBED C[C@H](C#N)C(=O)NC[C@@]1(O)CCN(c2cnc(C#N)cn2)C1 1111041507 IWTAUQWFBRLKKQ-YGRLFVJLSA-N 300.322 -0.435 30 20 DBED N#Cc1cnc(N2CC[C@@](O)(CNC(=O)c3ccon3)C2)cn1 1111051949 FGFFDXVCNSPHKV-CQSZACIVSA-N 314.305 -0.293 30 20 DBED C=CCNC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1nc[nH]n1 1111165559 NKOPPOCEFHAHNO-QCNOEVLYSA-N 318.381 -0.170 30 20 DBED Cc1c[nH]c(C(=O)N(CCO)CCNc2ccc(C#N)nn2)n1 1111574988 CDPMOLFSSSZECR-UHFFFAOYSA-N 315.337 -0.074 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCN([C@H](C)C(=O)NC(N)=O)CC1 1112804813 SEJSVIDXBRNKQM-QMTHXVAHSA-N 312.370 -0.959 30 20 DBED CNC(=O)NCCC(=O)N[C@H](C)[C@@H](C)Nc1ccc(C#N)nn1 1113002223 TXCYLKUGOKJOOC-NXEZZACHSA-N 319.369 -0.028 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)[C@@H]2CCC(=O)NC2)CC1 1113057085 BSSXFHGFVSNIBL-CHWSQXEVSA-N 322.409 -0.653 30 20 DBED Cc1noc(CCC(=O)N2CCN(CC(=O)NCC#N)CC2)n1 1113176574 FHTLHCLBESMTOX-UHFFFAOYSA-N 320.353 -0.905 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)c3cn[nH]c3)[C@@H]2C1 1113916089 LFUPBKGPXQICRE-MVWJERBFSA-N 303.366 -0.240 30 20 DBED N#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)C[C@H]3CCOC3)[C@H]2C1 1114089036 ZDCDDGXAXJTZIY-FJJYHAOUSA-N 306.366 -0.901 30 20 DBED CNC(=O)CC(=O)NC[C@H]1[C@@H]2CN(c3ccc(C#N)nc3)C[C@H]12 1114530400 KDFKQEYSMGFLCW-ZSOGYDGISA-N 313.361 -0.112 30 20 DBED N#Cc1ccc(NC[C@H]2C[C@H](NC(=O)CCNC(N)=O)C2)nn1 1114769672 PTOINFJDSHGDIQ-HOMQSWHASA-N 317.353 -0.287 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3ccn(C)n3)[C@H]2C1 1115241466 IIMNURBSYSHZTD-YABSGUDNSA-N 303.366 -0.618 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)c3[nH]cnc3C)[C@H]2C1 1115356536 LPFDXEKPVFSIHR-SRVKXCTJSA-N 315.377 -0.484 30 20 DBED C[C@](O)(CC(=O)NC[C@H](CO)Nc1nccnc1C#N)C1CC1 1121340500 YGLYIEQNFPXJBW-ABAIWWIYSA-N 319.365 -0.212 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)CCc2nc[nH]n2)cn1 1121412604 PUZLAQMJQZCWOU-LBPRGKRZSA-N 315.337 -0.407 30 20 DBED Cn1nccc1CC(=O)NC[C@@H](CO)Nc1ncccc1C#N 1121412680 RVDVPGGBAFUUAV-LBPRGKRZSA-N 314.349 -0.182 30 20 DBED CC[C@H](SC)C(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1 1121455968 SZDDTUCEMZKIRG-UWVGGRQHSA-N 309.395 -0.199 30 20 DBED COCC#CCNC1CC2(C1)CC(NC(=O)C1(C(N)=O)CC1)C2 1121681193 BYOOWQDMLMDPOT-UHFFFAOYSA-N 319.405 -0.081 30 20 DBED C=CCCOCC(=O)NC[C@H](CO)Nc1nccc(OC)n1 1121750343 YAHIEJMNGRHAGH-LLVKDONJSA-N 310.354 -0.033 30 20 DBED C[C@]1(C(=O)NC[C@@H](CO)Nc2ncccc2C#N)CNC(=O)C1 1122256805 YFSSZOXKHNPPRK-XHDPSFHLSA-N 317.349 -0.632 30 20 DBED Cc1cc(C#N)nc(N[C@@H](CO)CNC(=O)Cc2cnc[nH]2)n1 1122621209 IUNLVJDCHNGLEQ-GFCCVEGCSA-N 315.337 -0.489 30 20 DBED CN(C[C@H](O)CNc1cncc(C#N)n1)C(=O)Cc1cc[nH]n1 1124184386 GFVBEXYELLZOBA-GFCCVEGCSA-N 315.337 -0.455 30 20 DBED CO[C@@H](C(=O)N(C)C[C@@H](O)CN=c1cc[nH]c(C#N)n1)C(C)C 1124729216 XXXCUOLYSPIYGS-SMDDNHRTSA-N 321.381 -0.328 30 20 DBED CNC(=O)CC(=O)N(C)CCOCCNc1ncccc1C#N 1127275883 YUHTYWIZMLIBEY-UHFFFAOYSA-N 319.365 -0.024 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CC(=O)N(C(C)C)C1 1128643894 NGPJPOFAKAEQLY-QWHCGFSZSA-N 324.425 -0.360 30 20 DBED C=CCN(CC=C)C(=O)CN1C[C@@H](NC(=O)C(N)=O)CC[C@H]1C 1132253565 WGYQFOKTQXPFLN-OLZOCXBDSA-N 322.409 -0.359 30 20 DBED C=CCNC[C@@H]1CN(C(=O)CN2CCNC(=O)C2)CC[C@@H]1C 1133030481 CRKRXUMMWHTOQW-UONOGXRCSA-N 308.426 -0.322 30 20 DBED C[C@@H](C[C@H](C)NC(=O)CCc1ncc[nH]1)NCC(=O)NCC#N 1134235210 NFQWXVGIEHHKDH-RYUDHWBXSA-N 320.397 -0.145 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1csc2cncn12 1134627697 AICLMSOAOHINMH-UHFFFAOYSA-N 305.363 -0.535 30 20 DBED CN(C)[C@@H]1CCC[C@@H](C(=O)NCCNCC(=O)NCC#N)C1 1147824507 KPDPFTQSDFFMNE-CHWSQXEVSA-N 309.414 -0.548 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)CN(CC)CC)C2 1148462675 LBEPHDQTAFROFC-UHFFFAOYSA-N 320.437 -0.388 30 20 DBED C#CCNC(=O)CN1CCCO[C@@H](CNC(=O)[C@@H]2CC2(C)C)C1 1149541043 FUTRNBJPZAYLOX-KBPBESRZSA-N 321.421 -0.011 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)[C@@H](C)CS(C)(=O)=O 1152626559 KPIIYUWBICTPCF-QWRGUYRKSA-N 319.427 -0.936 30 20 DBED C=C(C)CN(CC)C(=O)CNCCCNC(=O)c1cn(C)nn1 1157453686 BVBXMSDXAPRSOJ-UHFFFAOYSA-N 322.413 -0.051 30 20 DBED N#CCNC(=O)CNCCCNC(=O)[C@H]1C[C@H]2CCCCN2C1 1158039751 UBVZBRAYQONALR-UONOGXRCSA-N 321.425 -0.404 30 20 DBED N#CCN1CC=C(CCNC(=O)CN2C(=O)CNC2=O)CC1 1161839319 LVLOFUMTKGHIPQ-UHFFFAOYSA-N 305.338 -0.800 30 20 DBED C[C@H](CCCCNCC#N)NC(=O)[C@@H](C)NS(C)(=O)=O 1175454310 YMEHLALZACCEEL-GHMZBOCLSA-N 304.416 -0.288 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)CNC(=O)[C@H](C)CC 1176318944 RAKOUINLCAXSQA-CHWSQXEVSA-N 324.425 -0.618 30 20 DBED C[C@H](CCCCNCC(=O)NCC#N)NC(=O)[C@@H]1CCN(C)C1 1176563946 IJOVFDRBBSTLLT-ZIAGYGMSSA-N 323.441 -0.158 30 20 DBED COCC#CCN1CCO[C@H]2CCN(C(=O)CCOC)C[C@H]21 1176877731 XYHNWWAGTJZRBR-CABCVRRESA-N 310.394 -0.026 30 20 DBED COCCOCCC(=O)N1CC[C@H]2OCCN(CC#N)[C@H]2C1 1177161308 CAPZVHCWMYZODU-UONOGXRCSA-N 311.382 -0.135 30 20 DBED CC#CCN[C@H]1CCN(C(=O)CCNS(C)(=O)=O)[C@H]1C 1178832670 WPDBGWQQOKLQSU-RYUDHWBXSA-N 301.412 -0.472 30 20 DBED C#CCNCCCCCCNC(=O)CNS(=O)(=O)N(C)C 1179701738 GMQPXOWJTNYNDN-UHFFFAOYSA-N 318.443 -0.718 30 20 DBED N#CCNC(=O)CNCCCCCCNC(=O)c1ccncn1 1179872840 UZOXPUIMGNOKSK-UHFFFAOYSA-N 318.381 -0.004 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@]1(C)CN(C(=O)COC)C[C@H]1C 1180344083 IUJMXBICAODKBV-XJKCOSOUSA-N 309.410 -0.155 30 20 DBED CC(=O)N[C@@H](C)C(=O)N1C[C@H](CNCC#N)C2(CCOCC2)C1 1186236791 OZPBMXZMEYWSOZ-JSGCOSHPSA-N 322.409 -0.121 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2cnccn2)C1 1188685968 WHMTZGOERWZVET-GFCCVEGCSA-N 303.366 -0.075 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](N(C)CC(=O)NC2CCOCC2)C1 1189390703 TYFLOWGSXPRNQB-GXTWGEPZSA-N 322.409 -0.026 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)C(C)(C)C(N)=O)C1 1190765859 PUWXPLFPFYIAOE-NSHDSACASA-N 310.398 -0.667 30 20 DBED CCc1n[nH]cc1C(=O)N1CC[C@@H](N(C)CC(=O)NCC#N)C1 1191100137 LJBPUCBFRYUXST-LLVKDONJSA-N 318.381 -0.242 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)CN2CCC[C@H]2C)C1 1192343228 NRJJKITWQQDZFC-HUUCEWRRSA-N 320.437 -0.247 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2[nH]c(C)nc2C)C1 1192399030 UMQMXWYQRDXPGT-ZDUSSCGKSA-N 317.393 -0.078 30 20 DBED C#CCN(C)[C@H]1CCN(C(=O)C(C)(C)NS(C)(=O)=O)C1 1192748716 DSQZGIVAWHEGMV-NSHDSACASA-N 301.412 -0.520 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)NC(=O)CC(F)(F)F)C1 1193174019 IABYUQDFUFIQSX-OPRDCNLKSA-N 321.299 -0.762 30 20 DBED CN(CC(=O)NCC#N)[C@H]1CCN(C(=O)C[C@H]2CCCOC2)C1 1194061000 RPGKEFVKSZPTCB-KGLIPLIRSA-N 322.409 -0.024 30 20 DBED Cn1nccc1C(=O)N1CCCN(CC(=O)NCC#N)CC1 1195090002 WCWMUIUXPXWBIC-UHFFFAOYSA-N 304.354 -0.792 30 20 DBED COCC#CCNC[C@H]1CN(C(=O)c2cnn[nH]2)CCCO1 1200865963 OBQLMOQJMHVPNP-LBPRGKRZSA-N 307.354 -0.725 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)Cc2ncc[nH]2)CCCO1 1201727374 WMXIWFATEANLBJ-CQSZACIVSA-N 320.393 -0.191 30 20 DBED C#CCNC[C@@H]1CN(C(=O)[C@H]2CCN(C(C)=O)C2)CCCO1 1201959598 VVOJAZGNTTWMAG-LSDHHAIUSA-N 307.394 -0.305 30 20 DBED C[C@H]1OCC[C@H]1C(=O)N1CCC(NCC(=O)NCC#N)CC1 1203059445 SHXJBQMIFNQSHJ-DGCLKSJQSA-N 308.382 -0.368 30 20 DBED C=CCOCCN[C@@H]1CCCN(C(=O)CN2CCNC(=O)C2)C1 1208930883 PBMOYCXWUDBVJM-CQSZACIVSA-N 324.425 -0.799 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)Cn2nccc2C)[C@H](C)C1 1208971225 MCLDBAZFNYOOAZ-TZMCWYRMSA-N 317.393 -0.623 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)[C@@H]2CCN(C)C2)[C@H](C)C1 1211026303 YUNGNIMOPWPAMC-MGPQQGTHSA-N 308.426 -0.323 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2cnco2)C[C@H]1C 1215264927 XRSBFDUTQJVFIC-IJLUTSLNSA-N 304.350 -0.137 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)CNC(=O)C2CCC2)C[C@H]1C 1216841393 YWPRQDDIAMNVGY-UKRRQHHQSA-N 321.421 -0.011 30 20 DBED N#CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3csnn3)[C@@H]2C1 1221720276 XDNXDIOUBXSTRU-MWLCHTKSSA-N 320.378 -0.676 30 20 DBED CCO[C@@H](C)C(=O)NCC1CCN(CC(=O)NCC#N)CC1 1222450452 FUBMMDRNEMRZFH-LBPRGKRZSA-N 310.398 -0.121 30 20 DBED C#CCN[C@@H]1CCCC[C@H]1NC(=O)CCS(=O)(=O)NC 1226197875 NYCIVIQQWSAEEC-VXGBXAGGSA-N 301.412 -0.424 30 20 DBED C#CCOCCNC(=O)C(=O)NC[C@@H]1CCCN1CC(F)F 1261956244 SYTKFOQLTMCJDI-NSHDSACASA-N 317.336 -0.402 30 20 DBED N#CCCCS(=O)(=O)NC[C@H]1CCC[C@@]12NC(=O)NC2=O 1319388051 HMIOCYJQQGBONS-BXKDBHETSA-N 314.367 -0.412 30 20 DBED C=CCN(C)C(=O)C(=O)NCCS(=O)(=O)NC(C)(C)C 1321632248 ZXIAAHHIWWNPBI-UHFFFAOYSA-N 305.400 -0.535 30 20 DBED C#C[C@H](NC(=O)C(=O)NC1CCN(CC#N)CC1)[C@@H]1CCCO1 1322563225 RKHYTQXKTUADFV-KBPBESRZSA-N 318.377 -0.612 30 20 DBED C#CCSCCNC(=O)C(=O)N1CCN(C(=O)C2CC2)CC1 1323045368 MQPUPKPKNLUKQK-UHFFFAOYSA-N 323.418 -0.450 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@H](C=C)COC)C1=O 1324239561 WQPIKVQBAUFBOG-VXGBXAGGSA-N 309.366 -0.451 30 20 DBED C#CC[C@@H](NC(=O)c1cn(C)c2c(cnn2C)c1=O)C(=O)OC 1326820607 BCUXYWKCUKHEPM-LLVKDONJSA-N 316.317 -0.433 30 20 DBED C=CCOCCNC(=O)C(=O)N[C@@H]1CCO[C@]2(CCOC2)C1 1327782130 FTDPSJYYNRQSHR-IUODEOHRSA-N 312.366 -0.241 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2csc(CO)n2)CC1 1329458040 NRDRIKBVSJOTCM-UHFFFAOYSA-N 322.390 -0.857 30 20 DBED C#CCNC(=O)CN1CCN([C@H](C)CN2CCOCC2)CC1 1329867915 PUSRRBZUKVWMMW-OAHLLOKOSA-N 308.426 -0.926 30 20 DBED CC#CC[C@H](CO)NC(=O)[C@@H](C)n1cnc2c(N)ncnc21 1330873630 PTDXBKKZGQXXNH-NXEZZACHSA-N 302.338 -0.140 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCCN2)CCN1C1CC1 1333613495 DOMWTULABGXDKU-DGCLKSJQSA-N 305.382 -0.947 30 20 DBED C#CCCCn1nnnc1N1CCC[C@H]1CS(=O)(=O)NC 1334117247 UTERBJLEKRJQSE-NSHDSACASA-N 312.399 -0.396 30 20 DBED N#Cc1cccc(CNC(=O)C(=O)N[C@@H]2CCS(=O)(=O)C2)c1 1334807140 DKLCRWCMKGQSLK-GFCCVEGCSA-N 321.358 -0.522 30 20 DBED N#CC[C@H]1CCCN(C(=O)C(=O)N[C@H]2CCS(=O)(=O)C2)C1 1334823632 ZKTIYSDHVFGSRF-MNOVXSKESA-N 313.379 -0.558 30 20 DBED C=CCn1nnnc1N1CCC(CNS(C)(=O)=O)CC1 1354294676 USGIHPILYPUMPP-UHFFFAOYSA-N 300.388 -0.375 30 20 DBED C[C@H](C(=O)N1CC[C@H](c2nncn2C)C1)n1cnc(C#N)n1 1363355104 MUYJTJIQIYJFLJ-ZJUUUORDSA-N 300.326 -0.145 30 20 DBED CNc1ncc(C(=O)NCCn2cc(C#N)c(O)nc2=O)s1 1364110481 ZAXWAOBFYAQYPV-UHFFFAOYSA-N 320.334 -0.251 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)NC[C@H]2CCS(=O)(=O)C2)C1 1364212618 WHFQCIYBEUCFMO-ZYHUDNBSSA-N 301.368 -0.519 30 20 DBED N#Cc1c[nH]cnc1=NCc1ccc(C(=O)NCC(N)=O)cc1 1365206664 KFYONHNHVZHZBB-UHFFFAOYSA-N 310.317 -0.403 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C(=O)C1(NC(N)=O)CC1)C1CC1 1374313387 UMZNAJDQENOXSA-VIFPVBQESA-N 307.354 -0.546 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)CCc2ccn(C)n2)C1 1384728856 UDTQBJZXUFESPD-RAIGVLPGSA-N 319.365 -0.800 30 20 DBED CC[C@H](CNC(=O)Cn1nc(C)n(C)c1=O)NC(=O)[C@H](C)C#N 1390602614 RCXCKFSKAWZENQ-MWLCHTKSSA-N 322.369 -0.939 30 20 DBED C[C@H](CNC(=O)c1ccc(C#N)[nH]1)NC(=O)c1cnc(O)n1C 1392526151 FFXFBEIBIOMGBH-MRVPVSSYSA-N 316.321 -0.126 30 20 DBED CCC(=O)NCC(=O)NC[C@H]1CCN1C(=O)c1c[nH]c(C#N)c1 1393274377 ACYAEGVXZOUMSX-GFCCVEGCSA-N 317.349 -0.257 30 20 DBED C[C@H](C#N)C(=O)N1CCN(CCNC(=O)[C@@H]2CCCOC2)CC1 1396878536 OMESHPQGXWQJOJ-ZIAGYGMSSA-N 322.409 -0.167 30 20 DBED C[C@H](CCNC(=O)[C@H]1CCC(=O)N1)NC(=O)c1cc(C#N)c[nH]1 1397785632 YRUUTVNLOSEIKP-MWLCHTKSSA-N 317.349 -0.210 30 20 DBED C=C(Cl)CN1CC[C@@H](NC(=O)CNS(=O)(=O)CC)C1 1398290176 MPUXIHHKZGJBGH-SNVBAGLBSA-N 309.819 -0.131 30 20 DBED C[C@@H](C(N)=O)N1CCN(CCNC(=O)c2cc(C#N)c[nH]2)CC1 1402105887 TYUGHBXYCLNTQT-NSHDSACASA-N 318.381 -0.892 30 20 DBED Cc1cc(C(=O)NC[C@@]2(O)CCN(C(=O)[C@@H](C)C#N)C2)ncn1 1411167924 IORDWMZWXYLXSC-BONVTDFDSA-N 317.349 -0.362 30 20 DBED CC[C@H](NC(=O)Cn1cc(C#N)c(O)nc1=O)c1ncc[nH]1 1412869123 IGGNERPYHSNGJE-VIFPVBQESA-N 302.294 -0.189 30 20 DBED CCN(CCNC(=O)CN(C)C(=O)COC)C(=O)[C@@H](C)C#N 1415682604 NCMKZCRTWHNWSX-NSHDSACASA-N 312.370 -0.784 30 20 DBED C[C@H](c1nnnn1C)N(C)CCNC(=O)c1cc(C#N)c[nH]1 1418451885 UYQBIGHVKKKGDF-SECBINFHSA-N 302.342 -0.167 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)COCc1ccncc1 1431576800 UBEVHBVIZXGWJB-WCQYABFASA-N 320.349 -0.649 30 20 DBED CC(=O)N(C)CC(=O)N1CC2(CCN(C(=O)[C@H](C)C#N)C2)C1 1445186537 PHCQXCZMMHVXJI-LLVKDONJSA-N 306.366 -0.315 30 20 DBED COCCC(=O)N1C[C@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 1489568634 QCDHJJATKUVEEJ-NEPJUHHUSA-N 306.322 -0.776 30 20 DBED CCN(CCC#N)C(=O)CN[C@@H](C)CNC(=O)c1cnn(C)n1 1491608743 SXHNSCSPXKWPMU-NSHDSACASA-N 321.385 -0.715 30 20 DBED C[C@H](C#N)C(=O)NCC1CN(C(=O)c2cc(=O)n(C)cn2)C1 1498678002 OFWFMGWTYBDGQP-SECBINFHSA-N 303.322 -0.872 30 20 DBED Cn1cnc(C(=O)NC[C@H](O)CNC(=O)c2c[nH]c(C#N)c2)c1 1533231439 ZRUDIVHGZGMMIM-LLVKDONJSA-N 316.321 -0.859 30 20 DBED CO[C@H]1CCCCN(CC(=O)N[C@H]2CCCN(O)C2=O)C1=O 1552209887 NZYYOOJROATYJK-QWRGUYRKSA-N 313.354 -0.490 30 20 DBED CCC1(Cn2cc(C(=O)N3CCNC[C@@H]3C#N)nn2)COC1 1577226072 VCOCBVTVYVHFOR-NSHDSACASA-N 304.354 -0.358 30 20 DBED C#CC[C@H](NC(=O)CN1C(=O)NC(CC)(CC)C1=O)C(=O)O 1588406210 ZMGUSXOVMQMAKV-VIFPVBQESA-N 309.322 -0.310 30 20 DBED C#CCNC(=O)c1ccc(N2C[C@@H](C(=O)O)C[C@@H](O)C2)nc1 1588485486 SFXCZOYYUDNGOR-NWDGAFQWSA-N 303.318 -0.284 30 20 DBED C[C@](C#N)(CC(=O)O)C(=O)NCc1nc([C@H]2CCOC2)n[nH]1 1588542404 ZFWQWWKIGFHJMY-ISVAXAHUSA-N 307.310 -0.071 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN(C)C[C@H](C(=O)O)C1 1588547465 KFKBIMAYHJKMKM-STQMWFEESA-N 311.382 -0.068 30 20 DBED N#Cc1c(-c2nn[nH]n2)nc(N)n1CC(=O)NCc1cccnc1 1592682387 YINUYMXYDWNWKG-UHFFFAOYSA-N 324.308 -0.772 30 20 DBED C[C@H](OC(=O)Cn1cc(C(=O)O)cn1)C(=O)N(C)CCC#N 1593541254 BYYGJKYTMHPEJY-VIFPVBQESA-N 308.294 -0.115 30 20 DBED N#CC1(C[C@H](O)CN2CCC[C@H](O)[C@@H]2C(=O)O)CCOCC1 1601054181 GXKWRMDBNJSOJU-RWMBFGLXSA-N 312.366 -0.032 30 20 DBED N#CCCN(CCC#N)C(=O)Cn1cnc(C(=O)O)cc1=O 1601066873 MJGGHYWLSVSOLF-UHFFFAOYSA-N 303.278 -0.403 30 20 DBED C[C@@H]1CN(S(=O)(=O)N2CCO[C@H](C#N)C2)CC[C@@H]1C(=O)O 1603463408 BABOWQOZJLXGQI-MXWKQRLJSA-N 317.367 -0.502 30 20 DBED N#Cc1ncc(N2CCSC[C@@H]2CO)nc1-c1nn[nH]n1 1606397529 SGBNSGALIFJCMT-ZETCQYMHSA-N 304.339 -0.558 30 20 DBED N#Cc1ncn(CC(=O)N2CCC([C@H]3OCCC[C@@H]3N)CC2)n1 1645909338 LTNBPYLQCAMHAI-SWLSCSKDSA-N 318.381 -0.105 30 20 DBED Cn1ncc(C#N)c1N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 1649972951 BMWXQIAVPZZBBM-GFCCVEGCSA-N 309.395 -0.399 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC[C@H](NC(=O)c2ncc[nH]2)C1 1713788916 UZTXZOTZIVFNNU-RYUDHWBXSA-N 303.366 -0.258 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H](CNC(=O)c1cnon1)C1CC1 1752491803 VNFCJTFJNMHLJV-MWLCHTKSSA-N 305.338 -0.695 30 20 DBED C=CCNC(=O)CN(C)CCN(C)C(=O)C1(C(=O)NC)CCC1 1753867620 YYVZOCDIQKZBKO-UHFFFAOYSA-N 324.425 -0.405 30 20 DBED N#CCNC/C=C/CNC(=O)CN1CCCCS1(=O)=O 1754150326 SYBPMYAIFWPATQ-OWOJBTEDSA-N 300.384 -0.802 30 20 DBED C#CCNC(=O)[C@H](C)NC/C=C\CNC(=O)c1coc(OC)n1 1754153810 MZJATZHIKYKPJZ-GZTOBOFZSA-N 320.349 -0.303 30 20 DBED C=C(Cl)CNC/C=C/CNC(=O)CN1C(=O)CN(C)C1=O 1754204273 SHSGUHAMDWJOCR-ONEGZZNKSA-N 314.773 -0.105 30 20 DBED C[C@@H](CN(C)CC(=O)NCC#N)NC(=O)Cc1ccn(C)n1 1754310829 LFBJQMAKNXWIKI-NSHDSACASA-N 306.370 -0.961 30 20 DBED C[C@@H](CN(C)CC(=O)NCC#N)NC(=O)C[C@@H]1CCCOC1 1754332468 DFXMMIDUWSRXLW-STQMWFEESA-N 310.398 -0.121 30 20 DBED C[C@@H]1C[C@@H](NCC(=O)NCC#N)CCN1C(=O)c1cn[nH]c1 1754591082 PPAXROYEMYUJPE-PWSUYJOCSA-N 304.354 -0.368 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC[C@](O)(CNC(=O)C#CC(C)C)C1 1754751847 VRVWLMLJMZMZCF-PBHICJAKSA-N 321.421 -0.111 30 20 DBED C#CCCN1CC[C@](O)(CNC(=O)C(C)(C)CNC(C)=O)C1 1754759092 KAGDSJBDXLBPHK-INIZCTEOSA-N 309.410 -0.275 30 20 DBED COCC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CNC(=O)N1 1754868974 RESNNSUELOASFX-BFHYXJOUSA-N 320.393 -0.617 30 20 DBED CCS(=O)(=O)CC(=O)NC[C@@H]1CCC2(CN(CC#N)C2)O1 1755056634 GKLVDWMVUXWKAI-NSHDSACASA-N 315.395 -0.706 30 20 DBED CC#CCNCC1(NC(=O)C[C@H]2CCC(=O)N2)CCOCC1 1755098031 FGGALJZJJVWHFL-CYBMUJFWSA-N 307.394 -0.067 30 20 DBED C#CCNC(=O)CN[C@@H](C)[C@@H](C)NC(=O)Cn1ccnc1C 1755271097 VJHRGVBXVJHHQK-NWDGAFQWSA-N 305.382 -0.576 30 20 DBED COCC#CCN1CC(CCO)(NC(=O)C[C@@H]2CCN(C)C2)C1 1755337458 HAFGIDAFYFDZFB-HNNXBMFYSA-N 323.437 -0.469 30 20 DBED COCC#CCNC[C@H]1C[C@H](NC(=O)CCn2ccnn2)C1 1755469860 FQHDZVIFQQXUJY-HDJSIYSDSA-N 305.382 -0.198 30 20 DBED Cc1nn(CC(=O)NCC2=CCN(CC#N)CC2)c(=O)n1C 1755898024 UUXNDBLJRKGHET-UHFFFAOYSA-N 304.354 -0.838 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC([C@@H](C)NC(=O)CNC(C)=O)C1 1756127852 ORJPTMCKTLAKRP-BMIGLBTASA-N 311.382 -0.587 30 20 DBED C#Cc1ccc(C(=O)N[C@@H](CO)CNC(=O)c2cccnn2)cc1 1756545205 NALGOJYOEMOIOS-CQSZACIVSA-N 324.340 -0.021 30 20 DBED C=CCn1cc(C(=O)N(C)C[C@@H](O)CNC(=O)[C@@H]2C[C@H]2C)nn1 1756662112 DJSXSXFVSDXLEM-GRYCIOLGSA-N 321.381 -0.331 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)[C@]2(F)CCOC2)C[C@@H]1O 1757161483 DNASAWBJIFFLIU-SUNKGSAMSA-N 316.329 -0.995 30 20 DBED C#CCCCCC(=O)N1CC[C@]2(C1)CN(C(=O)C(O)O)CCO2 1784193193 LBUMMWMYKIUUMV-INIZCTEOSA-N 324.377 -0.679 30 20 DBED COCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CC1)C2 1795348183 JEVUEDPAPFELAT-DABQJJPHSA-N 321.377 -0.084 30 20 DBED N#CCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CNC(N)=O)C2 1795860709 XUHXWQTUAJHEHK-JGPRNRPPSA-N 307.354 -0.403 30 20 DBED C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](CC)NC(N)=O)C2 1801598238 ULAGWYILTCBONR-WRWGMCAJSA-N 306.366 -0.295 30 20 DBED NCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)C#CC(=O)O)CC2 1814793967 NTQMPXKLQBJCGL-SSDOTTSWSA-N 322.346 -0.898 30 20 DBED Cc1nocc1C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1842495093 LNKBSKJOAVQQDF-UHFFFAOYSA-N 317.301 -0.112 30 20 DBED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)c2ccc[nH]2)C1 1844408631 KUDASKATNBIHMZ-UHFFFAOYSA-N 301.302 -0.080 30 20 DBED C=CCNC(=O)c1ccc(N2CCN(CC(=O)NC)CC2)nc1 264816331 CEFNSEINONTCRZ-UHFFFAOYSA-N 317.393 -0.135 30 20 DBED C=CCNC(=O)CNC(=O)N1C[C@@H](N2CCOCC2)C[C@H]1C 287045166 TUBSKGPIJXUJFE-OLZOCXBDSA-N 310.398 -0.207 30 20 DBED C#CCNC(=O)CCN(C)C[C@@H](O)CNC(=O)OC(C)(C)C 296897111 VQBQESGOUNUIAU-LBPRGKRZSA-N 313.398 -0.057 30 20 DBED CC[C@H](O)CN1CCN(S(=O)(=O)N(C)[C@H](C)CC#N)CC1 330434660 YCDWZOWAXGKISW-OLZOCXBDSA-N 318.443 -0.146 30 20 DBED N#CC1(NC(=O)Cn2nc3ccccn3c2=O)CCOCC1 332285954 CRFUMNDLQHJPLL-UHFFFAOYSA-N 301.306 -0.315 30 20 DBED COC(=O)[C@@H]1CN(S(=O)(=O)N(C)[C@@H](C)CC#N)C[C@H](C)O1 337985979 MZZRXTCVFYFUHK-DCAQKATOSA-N 319.383 -0.273 30 20 DBED C[C@@H]1CS(=O)(=O)C[C@@H]1NS(=O)(=O)N(C)[C@@H](C)CC#N 341932906 CIVHDXNWEJXSLB-UTLUCORTSA-N 309.413 -0.512 30 20 DBED C=CCN(CCOC)C(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 361079647 KWWXXROYQFRZQV-HBJVGIJOSA-N 322.361 -0.190 30 20 DBED CS(=O)(=O)N1CCC(NC(=O)C2(C#N)CCOCC2)CC1 400237951 VUOCTTLUCJKEMO-UHFFFAOYSA-N 315.395 -0.153 30 20 DBED CNS(=O)(=O)c1cc(C(=O)N2CCOC[C@H]2C#N)c(C)o1 408244474 BXALLERXVBZKGL-SECBINFHSA-N 313.335 -0.139 30 20 DBED COc1ccc(C#N)cc1NC(=O)C(=O)N(CCO)CCO 430013125 TWOCMEFVLHQIMI-UHFFFAOYSA-N 307.306 -0.681 30 20 DBED COC(=O)C[C@H]1C(=O)NCCN1C(=O)c1ccc(C#N)c(O)c1 442648380 MTTGIUFMSDHCEH-NSHDSACASA-N 317.301 -0.232 30 20 DBED C=CCCS(=O)(=O)NCCNS(=O)(=O)c1cccnc1 448159568 KULJWYYWDILSGI-UHFFFAOYSA-N 319.408 -0.145 30 20 DBED COC(=O)CNC(=O)CNC(=O)[C@H](C)Oc1ccc(C#N)cc1 552013548 ZHCPDHQMQLMGNK-JTQLQIEISA-N 319.317 -0.269 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N(CCO)[C@@H](C)CC(=O)O 565953501 FEPRZIOSFQQNFN-UWVGGRQHSA-N 307.372 -0.377 30 20 DBED N#Cc1cccc(CNC(=O)CN2CC[C@H](CO)[C@@H](O)C2)c1 582204991 SJSCSNYMZUSLLX-CABCVRRESA-N 303.362 -0.150 30 20 DBED C=C[C@@H]1OCC[C@H]1NC(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 584473573 HFTLWAPYXZTOCU-MXWKQRLJSA-N 303.384 -0.337 30 20 DBED CCOC(=O)Cn1cnc(NC(=O)N2CC[C@](F)(C#N)C2)n1 591870980 SHHQMIBDZDKSRG-LBPRGKRZSA-N 310.289 0.311 30 20 DBED COC(=O)[C@@H]1C[C@H](O)CN(CC(=O)N[C@@](C)(C#N)C(C)C)C1 592209074 QWEPGZYFJUSMDD-XUJVJEKNSA-N 311.382 -0.103 30 20 DBED CO[C@H]1CCC[C@H]1CNC(=O)C(=O)N1CCN(CCC#N)CC1 602245462 NKZLZNBDLBZGRH-KBPBESRZSA-N 322.409 -0.024 30 20 DBED N#Cc1ccc(S(=O)(=O)N2CCO[C@H](C(N)=O)C2)c(F)c1 610083807 JRTGFCDPLBFJJZ-JTQLQIEISA-N 313.310 -0.428 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)CNS(=O)(=O)N(C)C 614375597 RKCBHVCXRTZGQC-PWSUYJOCSA-N 305.400 -0.520 30 20 DBED C=C[C@H](O)C(=O)N1CCC[C@H](CNS(=O)(=O)C2CC2)C1 614903534 SSNKSKZHLJMLLA-PWSUYJOCSA-N 302.396 -0.146 30 20 DBED C=C[C@H](CO)NC(=O)c1cccc(C(=O)N[C@H](C=C)CO)c1N 620591143 KCAUMUUVRMSQDJ-GHMZBOCLSA-N 319.361 -0.178 30 20 DBED C=C[C@@](C)(O)C(=O)NCCN1CCN(c2ncccn2)CC1 666703168 BLBYQAJRLRVBCY-OAHLLOKOSA-N 305.382 -0.348 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC[C@@H]2CCCOC2)C1=O 671338284 FMEIJDXCCSGPOI-QWHCGFSZSA-N 323.393 -0.226 30 20 DBED C#CC[C@@H](COC)NS(=O)(=O)N1CCC(C(=O)O)CC1 716822487 UBCDCZIOLDKYFX-NSHDSACASA-N 304.368 -0.344 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)c1cc2n(n1)CCCO2 763367844 BQUPPBYVEPXPQA-UHFFFAOYSA-N 308.294 -0.166 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)c1ccnc(S(N)(=O)=O)c1 772425873 PPFDAJPRDGJLNF-QMMMGPOBSA-N 311.319 -0.976 30 20 DBED C#C[C@@H](NC(=O)NCCCNS(=O)(=O)CC)[C@H]1CCCO1 773277088 QPSBWPFZRDUWES-VXGBXAGGSA-N 317.411 -0.204 30 20 DBED C#C[C@H](NC(=O)N1CCN(CC(=O)NCC)CC1)[C@@H]1CCCO1 773561690 TVCPIHPKQOQEOL-KBPBESRZSA-N 322.409 -0.370 30 20 DBED C#C[C@H](NC(=O)[C@@H]1CCCN1S(C)(=O)=O)[C@H]1CCCO1 775326338 DQRBPGANBPZIEU-SDDRHHMPSA-N 300.380 -0.293 30 20 DBED C#CCOCCNC(=O)NC1CCN(CCC(=O)N(C)C)CC1 784308615 KVEPCQCAJGFTKO-UHFFFAOYSA-N 324.425 -0.122 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCc2c[nH]nc2C1)[C@H]1CCCO1 809305863 KRSVMMOHHWQHDI-WCQYABFASA-N 302.334 -0.409 30 20 DBED C[C@](C#N)(CC(=O)O)C(=O)N1CCC[C@H](NS(C)(=O)=O)C1 819810867 GVHMIOOLXZZHPP-JOYOIKCWSA-N 317.367 -0.469 30 20 DBED C#CC[C@@H](NC(=O)[C@@H]1COCCN1CC(F)(F)F)C(=O)OC 837945978 CNAFXRHURUOCBS-ZJUUUORDSA-N 322.283 -0.069 30 20 DBED CC[C@H](C)[C@H](NS(=O)(=O)N1CCO[C@H](C#N)C1)C(=O)O 841777001 SWFIEBHJXXBVCA-AEJSXWLSSA-N 305.356 -0.456 30 20 DBED C[C@@](C#N)(NC(=O)COC(=O)CN1C(=O)CCC1=O)C1CC1 844175898 LVAVMMUHLDXFPK-AWEZNQCLSA-N 307.306 -0.513 30 20 DBED C=C[C@@H](C)ONC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 846544449 QWLXLBWJHPDHPG-MRVPVSSYSA-N 304.306 -0.132 30 20 DBED C#CC[C@H](CCOC)NC(=O)NCCS(=O)(=O)NCC 858207574 JHMGEJMILQCSKM-LLVKDONJSA-N 305.400 -0.347 30 20 DBED N#CCCN1CCN(C(=O)NCCS(=O)(=O)C2CC2)CC1 868707319 SJMZGFLPQSVMSM-UHFFFAOYSA-N 314.411 -0.196 30 20 DBED C#CCSCCNS(=O)(=O)CCS(=O)(=O)N(C)C 881925775 DMCOKLJGWHBALS-UHFFFAOYSA-N 314.454 -0.836 30 20 DBED C[C@@H](C#N)C(=O)N1CCCN(C(=O)C[C@H]2CC(=O)NC2=O)CC1 941584061 WEMGVOPHFQZNEK-WDEREUQCSA-N 320.349 -0.740 30 20 DBED C#CCCN1C[C@H](O)[C@H](CNC(=O)c2ccnc3ccnn23)C1 958135055 KBKKDVUJJWVOAA-OCCSQVGLSA-N 313.361 -0.225 30 20 DBED C=CCN1C[C@H](O)[C@H](CNC(=O)c2ccnc3ccnn23)C1 958135555 PCWPQLPWBZDUIV-YPMHNXCESA-N 301.350 -0.062 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2cn(C)nc2COC)C1 958183170 LZHWYLCWNKKTLI-BXUZGUMPSA-N 306.366 -0.778 30 20 DBED CN(C(=O)[C@H]1CCCOC1)[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 958730591 AYKJMQJFEZEKFD-KKUMJFAQSA-N 320.389 -0.144 30 20 DBED N#CCN1C[C@H]2C(NC(=O)[C@H]3CC(=O)N(c4cn[nH]c4)C3)[C@@H]2C1 959877213 ROWBPYJLHPTPFS-MVWJERBFSA-N 314.349 -0.667 30 20 DBED COc1cc(OC)nc(C(=O)NC2[C@@H]3CN(CC#N)C[C@@H]23)n1 960567679 MLOBHODMSKORBX-RKDXNWHRSA-N 303.322 -0.323 30 20 DBED C=C1CCC(C(=O)N2C[C@H]3[C@@H](C2)OCCN3C(=O)C(N)=O)CC1 960874547 UNPSRGJFVFIJSF-QWHCGFSZSA-N 321.377 -0.344 30 20 DBED Cc1ncc(C(=O)N2C[C@H]3[C@@H](C2)OCCN3C(=O)[C@H](C)C#N)[nH]1 960885371 ZFPBMLKDYZZPJE-JIMOISOXSA-N 317.349 -0.070 30 20 DBED C=CCN1C[C@H]2C(NC(=O)Cn3[nH]cc4c(=O)ncnc3-4)[C@@H]2C1 962072320 HLSGZIJFURAKJR-GHMZBOCLSA-N 314.349 -0.696 30 20 DBED N#CCNC1CC2(C1)CC(NC(=O)[C@@H]1CCS(=O)(=O)C1)C2 964250436 QUUCZLISLRDRNO-YAJDGLSUSA-N 311.407 -0.038 30 20 DBED CO[C@@H](C)C(=O)N1CC2(CN(C(=O)C#CC3CC3)CCO2)C1 965375022 PMYGZZYTAIOTLP-LBPRGKRZSA-N 306.362 -0.126 30 20 DBED CN(C(=O)C(N)=O)[C@@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)CC1 967655797 VSLWCJZJTYZGDF-LLVKDONJSA-N 317.349 -0.175 30 20 DBED C=C(C)CN1CC([C@H](C)NC(=O)c2cn(CC(N)=O)nn2)C1 970926675 WTCXIGBNSKNHCX-JTQLQIEISA-N 306.370 -0.610 30 20 DBED O=C1CC[C@H](C(=O)N2C[C@H]3CCN(C(=O)C#CC4CC4)C[C@H]32)N1 971559966 KGCPWINNJCXAGZ-MGPQQGTHSA-N 315.373 -0.262 30 20 DBED CC#CCN1CCO[C@@]2(CCN(C(=O)[C@@H]3CCNC(=O)C3)C2)C1 972338698 JKTHLWZYVBBXMV-PBHICJAKSA-N 319.405 -0.161 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)c3nc[nH]n3)C2)nc1 974343290 AWRFOVCXDIIXNB-PHIMTYICSA-N 310.317 -0.128 30 20 DBED C#Cc1ccc(C(=O)N2C[C@H]3CCN(C(=O)C(N)=O)C[C@H]32)nc1 974681160 UCUVABYIKMEZFY-DGCLKSJQSA-N 312.329 -0.779 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2[C@@H]3CN(C(=O)c4cnon4)C[C@@H]32)cn1 976912887 VHCAGXUPLDSQPO-IMRBUKKESA-N 323.312 -0.054 30 20 DBED C=CCN1C[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)C(C)(C)C1 977471106 QTFNGPHHSFNFBB-LLVKDONJSA-N 308.382 -0.107 30 20 DBED CN(C[C@H]1CCN1C(=O)c1nc[nH]n1)C(=O)c1ccc(C#N)[nH]1 977596123 DGAFFQGPOVEIEW-SNVBAGLBSA-N 313.321 -0.009 30 20 DBED C#Cc1ccc(C(=O)N2CC(NC(=O)[C@H](C)n3cncn3)C2)nc1 990916195 VRCAFJAYCWSCMO-NSHDSACASA-N 324.344 -0.144 30 20 DBED C#Cc1cncc(C(=O)NC2CN(C(=O)Cc3ccn(C)n3)C2)c1 999305016 TYOIAPFMEWJANC-UHFFFAOYSA-N 323.356 -0.020 30 20 DBED C#CCN1CC[C@@H](n2cc(CNC(=O)c3cnnn3C)nn2)C1 999991235 MIPIRVQZVVSFOY-GFCCVEGCSA-N 314.353 -0.783 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)[C@H](C)n2cncn2)C1 1000004958 KQODXLCROGZFCO-UHTWSYAYSA-N 319.365 -0.243 30 20 DBED C#CCN1CCC[C@@H](NC(=O)[C@H]2CCc3nnc(O)n3C2)C1 1007686431 KJVCYXFRTGJDTP-NWDGAFQWSA-N 303.366 -0.240 30 20 DBED C#CCCN1CC[C@H](NC(=O)C2CC3(C2)NC(=O)NC3=O)C1 1015831018 JZGXJOYRMCIWJM-VTWZXRTESA-N 304.350 -0.812 30 20 DBED CC(=O)N1CC(C(=O)NCC2=CCN(C(=O)[C@H](C)C#N)CC2)C1 1017410854 OZOQHXNCLOTFJN-LLVKDONJSA-N 318.377 -0.101 30 20 DBED C=CCCn1cc(C(=O)N[C@@H]2CN(C(=O)C(C)C)C[C@H]2O)nn1 1023914408 UHKXHNDVTZLLRL-DGCLKSJQSA-N 321.381 -0.188 30 20 DBED Cc1nc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2O)cs1 1025197068 ADHXTTJAAOQYCR-BCMRRPTOSA-N 308.363 -0.087 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)[C@@H]1COCCO1 1026163702 KOEMILKLDTWMCD-BNOWGMLFSA-N 306.362 -0.222 30 20 DBED O=C1CC[C@H](NC[C@@H]2CCN(C(=O)C#CC3CC3)C2)C(=O)N1 1026835391 WPYKUPPZAULPDD-STQMWFEESA-N 303.362 -0.357 30 20 DBED C#CCN1CC[C@H](CNC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 1028707849 YIHLPXQEXWFXOL-YPMHNXCESA-N 301.350 -0.563 30 20 DBED Cc1cc2[nH]c(=O)c(C(=O)NC[C@H]3CCN(CC#N)C3)cn2n1 1028868479 FHIQGYQBXOQZKU-LLVKDONJSA-N 314.349 -0.094 30 20 DBED C=CCN1CCCC[C@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 1034531226 JPHAOQNWHPYFKB-RYUDHWBXSA-N 301.412 -0.165 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2CN([C@@H](C)COC)CCO2)nn1 1035536423 QDQFVTUEMDMAEC-STQMWFEESA-N 323.397 -0.070 30 20 DBED C#CCCN1CC[C@H]2CN(C(=O)c3nnc(O)nc3O)CC[C@@H]21 1036762921 RTBHZQXSVOCIEZ-QWRGUYRKSA-N 317.349 -0.158 30 20 DBED CC#CCN1CC[C@H]1CNC(=O)c1nc(O)nc(O)c1OC 1038921998 OENRUEBCESFVMB-VIFPVBQESA-N 306.322 -0.276 30 20 DBED C#CCOCCC(=O)NC[C@]1(O)CCN(C(=O)[C@@H](C)OC)C1 1039719577 XELZZBGBQVALAC-IUODEOHRSA-N 312.366 -0.859 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@]1(O)CCN(C(=O)C(C)(C)F)C1 1039721419 LFBXLDGZIWECPG-ABAIWWIYSA-N 314.357 -0.148 30 20 DBED CC(C)C#CC(=O)N1CC[C@](O)(CNC(=O)[C@H](C)CC(N)=O)C1 1040474954 DEJSYLVVEGFKLQ-WBMJQRKESA-N 323.393 -0.763 30 20 DBED Cc1nc[nH]c1CC(=O)N1CC[C@](O)(CNC(=O)[C@H](C)C#N)C1 1040758781 BNDWUWPQEJOVMK-BMIGLBTASA-N 319.365 -0.500 30 20 DBED C[C@@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)c2ncccc2O)C1 1040759645 CCZQFBBGGZIQRM-ZUZCIYMTSA-N 318.333 -0.360 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)c3cocn3)C2)nn1 1040951609 ZXSRCUDIVHLXSD-MWLCHTKSSA-N 300.278 -0.684 30 20 DBED C#CCN1CC[C@@H]2CCN(C(=O)c3nnc(O)nc3O)C[C@@H]21 1042135379 UXHWOFMFYLSSKE-ZJUUUORDSA-N 303.322 -0.548 30 20 DBED Cc1cc(CC(=O)NCC2(O)CN(C(=O)[C@H](C)C#N)C2)n[nH]1 1042480530 BSWWZVAWTZZZCC-SECBINFHSA-N 305.338 -0.890 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)[C@H]2C[C@@H]2C(F)F)C1 1042865550 QKTXBHQZTRSXTP-CIUDSAMLSA-N 301.293 -0.263 30 20 DBED C#CCN1CC(N(C)C(=O)Cn2nc3n(c2=O)CCCC3)C1 1044148377 JZNFSOXCDIYLHH-UHFFFAOYSA-N 303.366 -0.843 30 20 DBED Cc1cc(C#N)nc(N2C[C@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3C)C2)n1 1044389212 LHQZOBRZYBTGPK-STRQVWJDSA-N 301.350 -0.022 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)c2cn(CC)nn2)C1 1044459780 DBOBGCPBDNWRPZ-UHFFFAOYSA-N 321.381 -0.187 30 20 DBED C=CCCCC(=O)NCC1(O)CN(C(=O)c2cc[n+]([O-])cc2)C1 1045451424 QYFDZZOWOLBLJS-UHFFFAOYSA-N 319.361 -0.021 30 20 DBED C#CCN1[C@H]2CC[C@H]1CN(C(=O)C[C@@H]1NC(=O)NC1=O)CC2 1045796733 XKFWUUPSOMFRLS-SRVKXCTJSA-N 304.350 -0.717 30 20 DBED C=C(C)CN1CC[C@H](N2CCN(C(=O)Cn3ncnn3)CC2)C1 1046030724 ZMQLBQSWOCHMNZ-AWEZNQCLSA-N 319.413 -0.532 30 20 DBED C#CCCN1CC[C@@H](N2CCN(C(=O)[C@@H]3CCNC3=O)CC2)C1 1046049281 MOZIOVOPZQHFCP-HUUCEWRRSA-N 318.421 -0.636 30 20 DBED C=CCN1CC[C@@H](N2CCN(C(=O)[C@H]3CCNC3=O)CC2)C1 1046049639 UAXIAVZSIUUGCF-KGLIPLIRSA-N 306.410 -0.473 30 20 DBED C=CCN1CC[C@@H](N2CCN(C(=O)[C@@H]3CNC(=O)N3)CC2)C1 1046058966 WPGQOXDLXCYBIC-OLZOCXBDSA-N 307.398 -0.928 30 20 DBED C=C(C)CCN1C[C@H](O)[C@@H](N(C)C(=O)C2CN(C(C)=O)C2)C1 1047362683 GRCDIDHFIISIPL-GJZGRUSLSA-N 309.410 -0.066 30 20 DBED CN(C(=O)c1ccc2nc(O)[nH]c2n1)[C@H]1CN(CC#N)C[C@@H]1O 1047501438 QMVCYZYMEQACTP-QWRGUYRKSA-N 316.321 -0.696 30 20 DBED Cc1nc2nccc(C(=O)N(C)[C@H]3CN(CC#N)C[C@@H]3O)n2n1 1047593346 GKDOLAKVEVQOSA-RYUDHWBXSA-N 315.337 -0.927 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)N2CCCCC2=O)C1 1047639241 OWMWCBPNKIQWMT-ILXRZTDVSA-N 321.421 -0.086 30 20 DBED C=CCOCC(=O)N(C)[C@H]1CN(C(=O)c2cc(C)on2)C[C@@H]1O 1048551538 KPTIZZNCSGKUHU-STQMWFEESA-N 323.349 -0.171 30 20 DBED COCCn1cc(C(=O)NC[C@@H]2COCCN2CC#N)cn1 1051228553 KDINKXNQSSVISB-CYBMUJFWSA-N 307.354 -0.516 30 20 DBED N#CCN1CCN([C@@H]2CCN(C(=O)Cn3cccn3)C2)CC1 1051982402 FVYOBBZUTHKWJI-CQSZACIVSA-N 302.382 -0.375 30 20 DBED C[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1CNC(=O)Cn1ncnn1 1052554792 RQYQDPBVZUXZIU-AAEUAGOBSA-N 316.365 -0.703 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC2(C1)CN([C@H](C)C(=O)N(C)C)C2 1053190739 CXXKJIUZBYWMCV-NWDGAFQWSA-N 308.382 -0.464 30 20 DBED Cc1nonc1CN1CC2(C1)CN(C(=O)[C@@H](C)C#N)CCO2 1053191097 LYRFEHLUVBCFRQ-JTQLQIEISA-N 305.338 -0.049 30 20 DBED N#CCN1CC2(C1)CN(C(=O)c1ccn3nnnc3c1)CCO2 1053370745 SWLPCMOKMBCHOC-UHFFFAOYSA-N 313.321 -0.825 30 20 DBED C[C@@H](C(=O)N1CCOC2(CN(CC#N)C2)C1)[C@@H]1CCC(=O)N1 1053442802 PSSHKYXSKNTFSA-NEPJUHHUSA-N 306.366 -0.662 30 20 DBED CCn1nc(C)c(C(=O)N2CCOC3(CN(CC#N)C3)C2)n1 1053551336 SXKMEPKNHQCUHW-UHFFFAOYSA-N 304.354 -0.343 30 20 DBED C#CCN1CC2(CC[C@H](CNC(=O)[C@@H]3CCCNC3=O)O2)C1 1053614656 ZYVVDTCSMPHNEW-CHWSQXEVSA-N 305.378 -0.505 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)c3cnn4cccnc34)CO2)C1 1053889485 KNLILSUESNVCNZ-NSHDSACASA-N 312.333 -0.174 30 20 DBED CN1CCOC[C@H]1C(=O)N1CCN(c2cncc(C#N)n2)CC1 1055754049 KYLCJWMGZVNVBX-ZDUSSCGKSA-N 316.365 -0.673 30 20 DBED C[C@H](C#N)C(=O)N[C@]1(CO)CCCN(C(=O)Cc2ccon2)C1 1056093553 KTVPFWWSUPRQPI-IAQYHMDHSA-N 320.349 -0.154 30 20 DBED C[C@@H](C#N)C(=O)N[C@@]1(CO)CCCN(C(=O)CCCC(N)=O)C1 1056097618 SMHCKDVLWQCNMH-NHYWBVRUSA-N 324.381 -0.729 30 20 DBED Cn1ncc(C(=O)NC2[C@H]3CN(c4ncccc4C#N)C[C@H]23)n1 1056256728 NCKAKOPZAFZMFU-QWRGUYRKSA-N 309.333 -0.054 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)COCCCC 1057238177 ACPPGRVNTPODNA-UHFFFAOYSA-N 316.398 -0.057 30 20 DBED N#Cc1c[nH]ccc1=NC1CCN(C(=O)[C@@H]2COC(=O)N2)CC1 1057320471 HNGWWJRLRQQARS-ZDUSSCGKSA-N 315.333 -0.114 30 20 DBED C#CCO[C@H](C)C(=O)N(CCO)CCNC(=O)c1cc(C)no1 1057583234 KSKHYAPWWCQQRT-GFCCVEGCSA-N 323.349 -0.428 30 20 DBED C#CCO[C@H](C)C(=O)N(CCO)CCNC(=O)[C@H](C)COC 1057583328 NMOKDQVSRQJHFS-CHWSQXEVSA-N 314.382 -0.756 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)CCc1cn[nH]c1 1057705707 RQSQEOIORPITFA-NSHDSACASA-N 307.354 -0.561 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)c1cnnc(O)c1 1057885584 DIBWKNNMROBFOW-UHFFFAOYSA-N 308.338 -0.301 30 20 DBED N#Cc1ccc(N2CC[C@@H](NC(=O)[C@H]3COC(=O)N3)C2)nn1 1058350579 OSXOPOFBKRXAHW-NXEZZACHSA-N 302.294 -0.848 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)CC1=CCOCC1 1058656552 GBVWJHOOCQQHOB-GFCCVEGCSA-N 309.366 -0.180 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)c1n[nH]c2c1CCC2 1058662874 AUEAACKKSGPRAW-SNVBAGLBSA-N 319.365 -0.391 30 20 DBED Cc1ncnc(O)c1C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N 1058663450 SXGSUKJHZXYTKG-VIFPVBQESA-N 321.337 -0.799 30 20 DBED CC(C)C#CC(=O)N1CC[C@H](CCNC(=O)Cn2cnnn2)C1 1059608797 JZSQFTYZSKIPGQ-ZDUSSCGKSA-N 318.381 -0.313 30 20 DBED CCNC(=O)CC(=O)NC[C@@H]1COCCN1C(=O)C#CC(C)C 1061518561 PCLFNNADSOWHGO-CYBMUJFWSA-N 323.393 -0.484 30 20 DBED C#CCCCC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1CCC(=O)N1 1061537947 GYHYNHYJVWBWIR-OLZOCXBDSA-N 321.377 -0.588 30 20 DBED N#CCSCC(=O)NC1(CNC(=O)Cn2cnnn2)CCC1 1062497702 ULUMWIWMAWMFQO-UHFFFAOYSA-N 323.382 -0.915 30 20 DBED C#CCOCCC(=O)NCC1(NC(=O)[C@H](C)NC(N)=O)CCC1 1063039059 XYFISSKAFCYICR-NSHDSACASA-N 324.381 -0.762 30 20 DBED Cc1cc(C#N)nc(N2CCCC[C@H](NC(=O)C(N)=O)C2)n1 1063225798 GXKZNKWDYGADQM-JTQLQIEISA-N 302.338 -0.383 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)COCCN(C)C)CCC1 1063718443 FUSQWEQTYQKOQO-LBPRGKRZSA-N 310.398 -0.121 30 20 DBED N#Cc1cnc(N2CC[C@H]3CC[C@@H](C2)N3C(=O)C(N)=O)cn1 1064485819 JMNKRKBPVGEDLC-MNOVXSKESA-N 300.322 -0.597 30 20 DBED C[C@@]1(NC(=O)[C@H]2CNC(=O)N2)CCN(c2ccc(C#N)nn2)C1 1065324460 AQMWFGQZPDMXBD-QMTHXVAHSA-N 315.337 -0.885 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H]1CN(C(=O)[C@@H]2C[C@H]2C)CCO1 1065425811 VZECCRKOXVYIJA-FRRDWIJNSA-N 321.377 -0.875 30 20 DBED NC(=O)C1(C(=O)N2CCO[C@@H](CNC(=O)C#CC3CC3)C2)CC1 1065544575 VYFSYFVTNRCMDG-LBPRGKRZSA-N 319.361 -0.991 30 20 DBED C=CCCCC(=O)N1CC2(CC[C@H](CNC(=O)C(N)=O)O2)C1 1068619952 FCOVBOPMPXRTOL-LLVKDONJSA-N 309.366 -0.296 30 20 DBED CCC1(NC(=O)CSCC#N)CCN(C(=O)C(N)=O)CC1 1069577095 XBILREZXPKHZPV-UHFFFAOYSA-N 312.395 -0.384 30 20 DBED C#CCN1CCn2ncc(CNC(=O)[C@@H]3C[C@H]3C(=O)OC)c2C1 1069854468 JXDWFHPNLHDCNX-CHWSQXEVSA-N 316.361 -0.243 30 20 DBED C=CCCN1CCNC(=O)CCN(C(=O)c2ncn(C)n2)CC1 1070960998 HDOHRZILXZOVIB-UHFFFAOYSA-N 320.397 -0.345 30 20 DBED COCCN1CCN([C@@H]2CCCN(C(=O)[C@H](C)C#N)C2)C(=O)C1 1071258282 CPYMXCPEYZYHSG-ZIAGYGMSSA-N 322.409 -0.072 30 20 DBED C=CCCN1C[C@@H](NC(=O)CN2CCNC(=O)C2)CC[C@H]1C 1071739688 XCPIVCSOEQNSSA-KGLIPLIRSA-N 308.426 -0.037 30 20 DBED C=C(C)CCC(=O)N1C[C@@H](C)[C@@H](NC(=O)Cn2cnnn2)C1 1072212958 ACCFJWHVKQUGIM-NEPJUHHUSA-N 306.370 -0.008 30 20 DBED N#CCN1CCC2(C1)CN(C(=O)Cn1ccc(O)nc1=O)C2 1072901213 FWOSFGIEZXBKFA-UHFFFAOYSA-N 303.322 -0.993 30 20 DBED C#CCCN1CCO[C@H]2CCN(C(=O)CN3CCCC3=O)C[C@@H]21 1074161095 ZDLQWZIBRKXQFP-GJZGRUSLSA-N 319.405 -0.066 30 20 DBED C#CCCN1CCO[C@@H]2CCN(C(=O)CCn3cncn3)C[C@H]21 1074170327 MCWWZNNMIUKRLD-HUUCEWRRSA-N 317.393 -0.007 30 20 DBED C=CCCOCC(=O)N1CC[C@H](NC(=O)CC(N)=O)C[C@H]1C 1074905057 PMRBMTGGLWDEKY-NEPJUHHUSA-N 311.382 -0.050 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H](C)CCNC(=O)c1cc(=O)n(C)o1 1076288092 KCTYBLWKPLCFNO-WDEREUQCSA-N 323.349 -0.359 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)c2cnc3n2CCOC3)C1 1077170657 PQKWGFZGQQCMOC-DGCLKSJQSA-N 306.366 -0.236 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[nH]3)C[C@H]2O)C1 1077641965 QFZUBDIXLBMENO-GHMZBOCLSA-N 321.381 -0.874 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCN2C(=O)C(C)C)C1 1078198513 RIXRKVXQQWYBIP-RBSFLKMASA-N 321.421 -0.182 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(C(=O)CN2CCCC2)C[C@H]1O 1081474552 RQZRWDONTFFRHA-HUUCEWRRSA-N 319.405 -0.569 30 20 DBED C=C(C)CN1C[C@@H](NC(=O)C2CS(=O)(=O)C2)[C@H](OC)C1 1081728658 WJVQEVQKFNOQCY-VXGBXAGGSA-N 302.396 -0.578 30 20 DBED CC#CCN1C[C@@H](NC(=O)c2ccn3nnnc3c2)[C@H](OC)C1 1082018715 PXNQLZVVIRBLMR-CHWSQXEVSA-N 314.349 -0.423 30 20 DBED C[C@@H]1CN(C(=O)c2cn(C[C@@H]3CCOC3)nn2)C[C@H]1NCC#N 1082829545 AEXBFGCMTPPGFB-FRRDWIJNSA-N 318.381 -0.112 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CCCCC(=O)N1 1083190310 HJTZKGLLRUGFDZ-SOUVJXGZSA-N 319.405 -0.020 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)c2c(C)c[nH]c2CC(N)=O)C1 1083794372 QBRSYMIEXNWGCN-OLZOCXBDSA-N 320.393 -0.298 30 20 DBED C#CCCN1CC[C@@H]2CN(C(=O)c3cn(C)c(=O)nc3O)[C@@H]2C1 1084827930 FGTCATMFGAJMIU-DGCLKSJQSA-N 316.361 -0.345 30 20 DBED C=CCN[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1c1cnn(C)c1 1086996991 FIKXCUJFAJVSBM-ZOBORPQBSA-N 317.393 -0.389 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)C[C@@H]3CC(=O)NC3=O)C[C@@H]2C1 1088223226 ROIKSQAKFYXWAR-AGIUHOORSA-N 303.362 -0.547 30 20 DBED C[C@@H](C[C@H](C)Nc1cnc(C#N)cn1)NC(=O)Cn1ncnn1 1089399753 HIBRDLSNOOOTAC-UWVGGRQHSA-N 315.341 -0.270 30 20 DBED C[C@@H](C[C@H](C)Nc1nccnc1C#N)NC(=O)c1nnn(C)n1 1089447153 DGQCHJDVUUZQSX-IUCAKERBSA-N 315.341 -0.119 30 20 DBED C=C(Cl)CN1CC[C@H](NC(=O)C2CS(=O)(=O)C2)[C@@H](O)C1 1090293044 QZYVMKIXXVLNMF-QWRGUYRKSA-N 322.814 -0.665 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2ccnc3[nH]nnc23)[C@H](O)C1 1090419025 CFSQDOVPYYVLDU-VXGBXAGGSA-N 314.349 -0.459 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2cnc3cccnn23)[C@@H](O)C1 1090631854 XBFPTRRWGSYTEW-OCCSQVGLSA-N 313.361 -0.082 30 20 DBED N#Cc1nccnc1NCCNC(=O)CCN1CCCC1=O 1093660933 MHKISCSXLMMHRF-UHFFFAOYSA-N 302.338 -0.111 30 20 DBED CNC(=O)CCCCC(=O)NCCN=c1cc[nH]c(C#N)n1 1093707611 FTPQCOSXVBLKQW-UHFFFAOYSA-N 304.354 -0.395 30 20 DBED CCCn1cc(C(=O)NCCN=c2cc[nH]c(C#N)n2)nn1 1093811773 UTOVDSNKRHGIAP-UHFFFAOYSA-N 300.326 -0.386 30 20 DBED N#Cc1nccnc1NCCNC(=O)c1nc2ncccn2n1 1093814778 BWOQMJMEPXULJY-UHFFFAOYSA-N 309.293 -0.372 30 20 DBED Cn1cc(C(N)=O)cc1C(=O)NCCNc1cncc(C#N)n1 1094250436 DMXAKVISGGIKFF-UHFFFAOYSA-N 313.321 -0.372 30 20 DBED N#Cc1nc(=NCCNC(=O)c2cc3n(n2)CCCO3)cc[nH]1 1094264506 ILBDWUNFRXKFOZ-UHFFFAOYSA-N 313.321 -0.409 30 20 DBED N#Cc1cnc(NCCCNC(=O)C[C@H]2CC(=O)NC2=O)cn1 1094485651 NMHDFLJDKAKJSL-VIFPVBQESA-N 316.321 -0.681 30 20 DBED N#CCN1CC(N2C[C@@H](NC(=O)c3ccnc(O)c3)CC2=O)C1 1094723058 CYDBJFBQUGFAMS-NSHDSACASA-N 315.333 -0.674 30 20 DBED CNC(=O)NCC(=O)N1CCCN(c2ccnc(C#N)n2)CC1 1095208903 WWPGMBRDHBYDKX-UHFFFAOYSA-N 317.353 -0.684 30 20 DBED COC(=O)NCC(=O)NC1CCN(c2cnc(C#N)cn2)CC1 1095394230 FIEUEFINLVRHCQ-UHFFFAOYSA-N 318.337 -0.211 30 20 DBED CCc1nc(C#N)cc(N(CC)CCCNC(=O)C(N)=O)n1 1095960912 FVOUWJROYRWYPX-UHFFFAOYSA-N 304.354 -0.271 30 20 DBED N#Cc1nccnc1N1CC[C@H](NC(=O)CO[C@@H]2CCOC2)C1 1096439761 NLBFIJMXZGXURI-NWDGAFQWSA-N 317.349 -0.151 30 20 DBED CC(=O)N[C@@H](C)C(=O)NC[C@H](N=c1cc[nH]c(C#N)n1)C1CC1 1096569748 QICCPOBRGLNNCP-CABZTGNLSA-N 316.365 -0.399 30 20 DBED CNC(=O)NCCC(=O)N[C@H]1C[C@@H](N=c2cc[nH]cc2C#N)C1 1097180076 RKBINLMVDFBIBW-TXEJJXNPSA-N 316.365 -0.247 30 20 DBED C=C(C)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C[C@@H]1NC(=O)NC1=O 1097243228 LQWOACCVFMEVJX-WYUUTHIRSA-N 306.366 -0.118 30 20 DBED CCNC(=O)CCC(=O)NC[C@H](C)N=c1cc[nH]c(C#N)n1 1097749929 OCCWCNFLOISBJL-JTQLQIEISA-N 304.354 -0.397 30 20 DBED CC(=O)N1CC(C(=O)NC[C@H](C)N=c2cc[nH]c(C#N)n2)C1 1097780507 YJAROZLUXCVVIQ-VIFPVBQESA-N 302.338 -0.835 30 20 DBED C[C@H](CNC(=O)C[C@@H]1CCC(=O)N1)Nc1cncc(C#N)n1 1097949762 BCPDNDAYPLNIEE-ZJUUUORDSA-N 302.338 -0.066 30 20 DBED C[C@H](CNC(=O)CCn1cnnn1)Nc1ccc(C#N)nn1 1098010510 ABYRZCVEEAQQAP-SECBINFHSA-N 301.314 -0.658 30 20 DBED C[C@@H](CNC(=O)C(=O)NCC1CC1)N=c1cc[nH]cc1C#N 1098012680 NHTPTYAVKGYVRH-JTQLQIEISA-N 301.350 -0.182 30 20 DBED N#CCN(CCO)C1CCN(C(=O)CC(=O)NCC2CC2)CC1 1098529240 YZPKMVJDOIJUCT-UHFFFAOYSA-N 322.409 -0.288 30 20 DBED CNC(=O)NCC(=O)N1CC[C@@H](CNc2nccnc2C#N)C1 1098578652 AHYOYHGOCNFDCU-JTQLQIEISA-N 317.353 -0.462 30 20 DBED C[C@@H](CCNC(=O)[C@H]1COC(=O)N1)Nc1cnc(C#N)cn1 1099077360 MHKAWSGNZNXDHP-WCBMZHEXSA-N 304.310 -0.237 30 20 DBED N#CCNC(=O)CN1CC[C@@H](NC(=O)C2CCCCC2)[C@@H](O)C1 1099639184 HVWVODBEODVLGM-KGLIPLIRSA-N 322.409 -0.242 30 20 DBED CC#CCN1CC[C@H](NC(=O)CN(C)C(=O)C(C)C)[C@H](O)C1 1099860426 BNAZVVRXEVPWOF-UONOGXRCSA-N 309.410 -0.325 30 20 DBED C=CCCOCC(=O)N[C@@H]1CCN(Cc2cnnn2C)C[C@H]1O 1100139660 VFUBEGGIQVDPBD-ZIAGYGMSSA-N 323.397 -0.541 30 20 DBED C=CCOCCNC1CC(CNC(=O)[C@@H]2CN(C)C(=O)N2)C1 1100563667 REWFQALONVBJRT-BPCQOVAHSA-N 310.398 -0.303 30 20 DBED COCC#CCN1C[C@@H]2CN(C(=O)c3cnnn3C)C[C@]2(C)C1 1101220274 ZKEQYYRMHFFTGI-CJNGLKHVSA-N 317.393 -0.141 30 20 DBED CN1C[C@@H](C(=O)N(C)CCNc2nccnc2C#N)CC1=O 1102004447 PZPCMINSGLEXKF-JTQLQIEISA-N 302.338 -0.303 30 20 DBED C=CCOCC(=O)N(C)[C@@H]1CCN(c2ccc3nnnn3n2)C1 1102692140 OGNFBHIMBMZZMW-LLVKDONJSA-N 317.353 -0.241 30 20 DBED C[C@H](CN=c1cc[nH]cc1C#N)CNC(=O)c1nnn(C)n1 1104182249 VXIWNFFJXCHDSX-SECBINFHSA-N 300.326 -0.623 30 20 DBED CC(C)[C@@H](CNC(=O)[C@@H]1COCCO1)N=c1cc[nH]c(C#N)n1 1105141037 MNAIDJBJFASJSJ-NEPJUHHUSA-N 319.365 -0.262 30 20 DBED C=CCO[C@H](C)C(=O)N1CC(n2cc(CNCCO)nn2)C1 1105381331 XNZUASPRUQWACV-LLVKDONJSA-N 309.370 -0.666 30 20 DBED CN(CCN(C)c1nccnc1C#N)C(=O)c1ncn(C)n1 1105385155 UMYFVZKRJYYTHU-UHFFFAOYSA-N 300.326 -0.315 30 20 DBED CN(CCN(C)c1nccnc1C#N)C(=O)C[C@H]1CCC(=O)N1 1105430663 RWNVFRPACWUDOC-LLVKDONJSA-N 316.365 -0.088 30 20 DBED CN(CCN(C)c1ccc(C#N)nn1)C(=O)[C@@H]1CCC(=O)NC1 1105599749 LRZYIHKYNADHLF-LLVKDONJSA-N 316.365 -0.231 30 20 DBED CCn1ccc(C(=O)NC[C@H](O)CN=c2cc[nH]c(C#N)n2)n1 1105982599 RCSZYMVWJCBWSZ-SNVBAGLBSA-N 315.337 -0.811 30 20 DBED N#Cc1nc(=NC[C@H](O)CNC(=O)[C@H]2CC23CCC3)cc[nH]1 1106130578 WPOMFZUIDMXTKF-WDEREUQCSA-N 301.350 -0.151 30 20 DBED Cc1cc(C#N)nc(NCC[C@@H](C)NC(=O)CNC(N)=O)n1 1106196825 WHDIGJLGRQFCBD-MRVPVSSYSA-N 305.342 -0.368 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)c2cn(C)c(=O)nc2O)C[C@H]1C 1106979358 FZCMPAXZTNMQHP-VXGBXAGGSA-N 318.377 -0.193 30 20 DBED C[C@@H](O)CN1CC(n2cc(CNC(=O)CSCC#N)nn2)C1 1107129582 GCCIOSJLDIDGAX-SNVBAGLBSA-N 324.410 -0.611 30 20 DBED N#Cc1nc(=NC/C=C/CNC(=O)C(=O)NCC(F)F)cc[nH]1 1107402251 GMIKOHINZAJAFG-OWOJBTEDSA-N 324.291 -0.764 30 20 DBED C=CCn1cc(C(=O)NC/C=C\CN=c2cc[nH]c(C#N)n2)nn1 1107541580 XTLFPPOCFRLFDU-ARJAWSKDSA-N 324.348 -0.054 30 20 DBED C[C@@H](CNc1cnc(C#N)cn1)NC(=O)c1cn(C)c(=O)n1C 1108411635 BUAGPQCCRQRZAJ-VIFPVBQESA-N 315.337 -0.384 30 20 DBED C#CCCCCC(=O)N[C@@H]1CC(=O)N(C2CN(C[C@@H](C)O)C2)C1 1108538041 ZNLXYMJZRWCEHM-ZIAGYGMSSA-N 321.421 -0.038 30 20 DBED N#Cc1ccc(NC[C@@H](NC(=O)[C@H]2CCC(=O)N2)C2CC2)nn1 1109794073 QJIWIPHDNKOKQH-VXGBXAGGSA-N 314.349 -0.066 30 20 DBED C[C@]1(NC(=O)Cc2nc[nH]n2)CCN(c2ccc(C#N)nn2)C1 1110791328 CLHDKAHACLABKO-AWEZNQCLSA-N 312.337 -0.206 30 20 DBED CN(C)C(=O)CC(=O)N[C@@]1(C)CCN(c2ccnc(C#N)n2)C1 1110817713 JGWALOGHEBUKFA-HNNXBMFYSA-N 316.365 -0.088 30 20 DBED CC1(CNC(=O)CC(N)=O)CCN(c2ccc(C#N)nn2)CC1 1110869225 KOQBZWDPTDUHEX-UHFFFAOYSA-N 316.365 -0.054 30 20 DBED N#Cc1nccnc1N1CC[C@](O)(CNC(=O)c2cocn2)C1 1111039609 LESZURFJPFZIJE-AWEZNQCLSA-N 314.305 -0.293 30 20 DBED Cn1cccc1C(=O)N(CCO)CCN=c1cc[nH]c(C#N)n1 1111429600 RNSQLSXGPAKRLD-UHFFFAOYSA-N 314.349 -0.345 30 20 DBED CNC(=O)CC(=O)N1CCO[C@@H](CNc2ccc(C#N)nc2)C1 1111940832 VSPFFFCGGRHBIJ-ZDUSSCGKSA-N 317.349 -0.271 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)c2ccnnc2)CC1 1113379107 GZBRZJQDZPSCHX-GFCCVEGCSA-N 301.350 -0.628 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CC[C@@H](C)C2)CC1 1113514477 PZFRUMXPMOOTKZ-CYBMUJFWSA-N 322.409 -0.699 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)c3cc(C)no3)[C@H]2C1 1113852298 JGOXLIKLCIQUHA-QWRGUYRKSA-N 304.350 -0.055 30 20 DBED C[C@@H](CNC(=O)[C@@]1(C)CCNC1=O)N(C)c1ccc(C#N)nn1 1113872135 JEAWGAORGFVFHY-BONVTDFDSA-N 316.365 -0.185 30 20 DBED C=CCCN1C[C@@H]2C(NC(=O)CS(=O)(=O)CCOC)[C@H]2C1 1114481135 WCBGSUJOTYARGH-RYUDHWBXSA-N 316.423 -0.330 30 20 DBED C=CCCOCC(=O)NC1[C@H]2CN(Cc3cnn(C)n3)C[C@H]12 1115324471 RHQXOLPTVCYHCT-STQMWFEESA-N 305.382 -0.046 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)CCOCCOC)[C@@H]2C1 1115335877 ASXVTUUZLGUUQF-ZIAGYGMSSA-N 310.394 -0.264 30 20 DBED C#CCNC1(CNC(=O)CN2CC(=O)NC2=O)CCCCC1 1115776368 NQMDVKUIMIIUSR-UHFFFAOYSA-N 306.366 -0.420 30 20 DBED Cc1nccn1C[C@H](C)CNC(=O)C(=O)N1CCO[C@H](C#N)C1 1117075398 GGPDUDCKVMTENG-DGCLKSJQSA-N 319.365 -0.305 30 20 DBED C#CCSCCNC(=O)C(=O)NCc1nnnn1C1CC1 1117412059 JEDCDOSOZPGBFW-UHFFFAOYSA-N 308.367 -0.893 30 20 DBED C=CCCN(C)C(=O)C(=O)NCC1(CS(C)(=O)=O)CC1 1117574086 HFKWKGUOONLNQB-UHFFFAOYSA-N 302.396 -0.038 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H](CO)CNC(=O)c1ccnc(O)c1 1121310244 GMIGJAIFFBQPJS-GFCCVEGCSA-N 313.317 -0.321 30 20 DBED N#Cc1nc(=N[C@H](CO)CNC(=O)c2cscn2)cc[nH]1 1121324493 NKUFSFWOEATLCS-QMMMGPOBSA-N 304.335 -0.571 30 20 DBED Cc1cccnc1C(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1 1121421364 ZGFUNPWPRKRGCE-LLVKDONJSA-N 312.333 -0.324 30 20 DBED CCn1cc(C(=O)NC[C@H](CO)Nc2ccc(C#N)nc2)nn1 1121926856 GNURHVOQIBTLSU-GFCCVEGCSA-N 315.337 -0.233 30 20 DBED Cc1ccc(C#N)c(N[C@H](CO)CNC(=O)C2(C(N)=O)CC2)n1 1122452879 VUMAEHILUVKBQM-NSHDSACASA-N 317.349 -0.584 30 20 DBED C[C@]1(C(=O)NC[C@@H](CO)Nc2ccc(C#N)cn2)CCNC1=O 1122544821 VCIGNRXFCLJRHB-NHYWBVRUSA-N 317.349 -0.632 30 20 DBED CNC(=O)NCC(=O)N1C[C@@H](Nc2nccnc2C#N)C[C@@H]1C 1123319679 NJMXALYBVYAIKB-UWVGGRQHSA-N 317.353 -0.321 30 20 DBED N#Cc1cnc(NC[C@H]2CC[C@H](NC(=O)CNC(N)=O)C2)cn1 1123719457 PALQJUIAPXUZAW-UWVGGRQHSA-N 317.353 -0.287 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)c1cn[nH]c1 1124084286 IXVUMKWSJWJLKD-SECBINFHSA-N 308.342 -0.871 30 20 DBED C=C[C@](C)(O)CC(=O)NCCNCc1cc(=O)n2nccc2[nH]1 1126365642 MJFDEDMUOVMVPU-HNNXBMFYSA-N 319.365 -0.445 30 20 DBED C#CCO[C@H](C)C(=O)NCCN[C@@H]1CCN(C2CCC2)C1=O 1127052338 VKTWKZFGHMQPBZ-TZMCWYRMSA-N 307.394 -0.116 30 20 DBED C[C@H](CC(=O)NCCNCC(=O)NCC#N)N1CCCCC1=O 1127162019 IOQBEURGKKAJGN-GFCCVEGCSA-N 323.397 -0.877 30 20 DBED C=C[C@H](CC)CC(=O)N[C@@H]1CN(CC(N)=O)C[C@@H]1n1ccnn1 1129184960 KHKMTKGCLWENMH-UPJWGTAASA-N 320.397 -0.293 30 20 DBED CCN(CC)CC(=O)N1CCC(=O)NCCN(CC#N)CC1 1131387933 CGIDOWOTLTXDDX-UHFFFAOYSA-N 309.414 -0.498 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1nccc2occc12 1131607817 SMQICIJERRFTCU-UHFFFAOYSA-N 300.318 -0.103 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)c1ccn2nnnc2c1 1132278356 VMTCFIVOMPXPOT-JTQLQIEISA-N 317.353 -0.866 30 20 DBED N#Cc1ccccc1CNCCNC(=O)CCCS(N)(=O)=O 1133152171 UGPSSQKCOZTTGE-UHFFFAOYSA-N 324.406 -0.167 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)CCc1nc[nH]n1)NCC(=O)NCC#N 1134040960 ALDNHGXNPJXQHK-WDEREUQCSA-N 321.385 -0.750 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)CC1(O)CCC1 1134307740 OICOSRUVLJEKEG-STQMWFEESA-N 309.410 -0.086 30 20 DBED CC#CCN[C@H](C)C[C@@H](C)NC(=O)CCNS(C)(=O)=O 1134509594 VMAMORQZSIMMRS-VXGBXAGGSA-N 303.428 -0.178 30 20 DBED C[C@@H](C[C@@H](C)NCC#N)NC(=O)CCc1nnc(O)nc1O 1134863253 GVXSJTOFNFIALL-BDAKNGLRSA-N 308.342 -0.388 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)[C@H]1CCCOC1 1152326614 ONXBYYDRHULILW-KGLIPLIRSA-N 309.410 -0.011 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)CNC(=O)CCC 1155285378 NFCRTSIFAAEIBV-GFCCVEGCSA-N 312.414 -0.311 30 20 DBED C#CCNC(=O)CC(=O)NCCCN[C@H](C)C(=O)NCCCC 1156857563 VKNBNIVMNDDEIX-CYBMUJFWSA-N 324.425 -0.473 30 20 DBED CCn1ccc(CC(=O)NCCCNCC(=O)NCC#N)n1 1158437512 ZZXSSJZKGXPSFT-UHFFFAOYSA-N 306.370 -0.819 30 20 DBED C#CCCN(C)C[C@H]1CCCCN1C(=O)[C@@H]1CC(=O)NC(=O)N1 1158529044 CSKDYDFPTDJAOI-OLZOCXBDSA-N 320.393 -0.079 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCCN[C@H](C)C(=O)NC1CC1 1160209312 HEXITEWIUOQKKE-HIFRSBDPSA-N 320.437 -0.153 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)[C@]1(C)CCNC(=O)C1 1160905350 XQMPXLZCVFKOBY-MLGOLLRUSA-N 324.425 -0.311 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)c1ccc(=O)n(C)c1 1161737371 WNOAQCVPSBZVPK-GFCCVEGCSA-N 318.377 -0.767 30 20 DBED COCC#CCNCCCNC(=O)[C@H]1CCCN(C(C)=O)C1 1162054372 PMLISGOZJNAUPT-HNNXBMFYSA-N 309.410 -0.009 30 20 DBED N#CCNC(=O)CNCC1(CCNC(=O)Cc2ccon2)CC1 1163888590 FREIFOTVDRKGBA-UHFFFAOYSA-N 319.365 -0.267 30 20 DBED Cc1ncc(C(=O)NCCCNCC(=O)NCC#N)c(C)n1 1168682249 JVKWLXOQWSLJAY-UHFFFAOYSA-N 304.354 -0.557 30 20 DBED C=C(Cl)CNCCCNC(=O)CN1CCS(=O)(=O)CC1 1176026143 IXZFRIISKYBWCM-UHFFFAOYSA-N 323.846 -0.435 30 20 DBED C#CCN1CCC(C(=O)NCCCNCC(=O)NCC)CC1 1176925912 DKHAVDNOLOPPLH-UHFFFAOYSA-N 308.426 -0.436 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)Cc2ccon2)[C@H]1C 1178395203 DEZZGJUPGILMCM-DYEKYZERSA-N 318.377 -0.066 30 20 DBED COCC#CCN[C@H]1CCN(C(=O)c2c[nH]c(C(N)=O)c2)[C@H]1C 1180138541 HZGYFPFUNDOKPB-AAEUAGOBSA-N 318.377 -0.044 30 20 DBED C=CCCC(=O)N1CC[C@@H](NCC(=O)N2CCNC(=O)C2)C1 1181518330 YLPUDKZQHSOMSA-GFCCVEGCSA-N 308.382 -0.899 30 20 DBED C[C@@H]1CN(C(=O)CN(C)S(C)(=O)=O)C[C@@]1(C)CNCC#N 1181659418 XGOHCAXIVQIDEK-DGCLKSJQSA-N 316.427 -0.524 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](NCc2cccnc2)C1 1182134129 FVBXOPOXLFANEJ-CQSZACIVSA-N 300.362 -0.088 30 20 DBED Cc1ccc(C(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)nn1 1182432215 SSBLJMHRKRKUBG-LLVKDONJSA-N 302.338 -0.771 30 20 DBED C#CCNC(=O)CNC[C@@H]1CCN(C(=O)c2cn[nH]c2)C[C@@H]1C 1183914063 UZZLFNPWXMXTPR-STQMWFEESA-N 317.393 -0.153 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2cc(OCC)no2)C1 1184331019 BBBYNUMRRHQDOY-LLVKDONJSA-N 320.349 -0.373 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2conc2CC)C1 1185494148 XAGBVSPPMNXYCM-LLVKDONJSA-N 304.350 -0.210 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)COCCN(C)C)C1 1187115716 PCQNBSZNXQGOQA-CYBMUJFWSA-N 312.414 -0.943 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)Cc2ccnn2C)C1 1189872773 AJRJWGSSEDRJLJ-AWEZNQCLSA-N 317.393 -0.755 30 20 DBED C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)Cn2cnnn2)C1 1190905425 VJDXWVDSWUHVSE-CHWSQXEVSA-N 308.386 -0.419 30 20 DBED CC(C)OCCN1C[C@@H](O)[C@H](NC(=O)CSCC#N)C1 1191157106 ZETLOEJXXOAVRQ-VXGBXAGGSA-N 301.412 -0.171 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CN(CCOCC(F)(F)F)C[C@H]1O 1191881740 JDRIZYXNUSCVKJ-OPRDCNLKSA-N 309.288 -0.114 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)Cc2cnc[nH]2)C1 1192550478 IFWFRCRYCKXUPD-ZDUSSCGKSA-N 303.366 -0.766 30 20 DBED CC#CCN(C)[C@H]1CCN(C(=O)CN2C(=O)CN(C)C2=O)C1 1193904815 DECRQDCWVWAPKN-LBPRGKRZSA-N 306.366 -0.564 30 20 DBED C=C(C)C[C@H](C)C(=O)N[C@@H]1CN(CC(=O)N2CCC2)C[C@H]1O 1195526413 WXVMJILEGAOHNG-BFHYXJOUSA-N 309.410 -0.018 30 20 DBED COCC[C@@H](C)C(=O)N1CCCN(CC(=O)NCC#N)CC1 1198176954 VYWQCGVBWPWAEY-CYBMUJFWSA-N 310.398 -0.167 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)[C@@H](OC)C2CC2)CC1 1200335152 WXSIGQHDOBPFBT-HNNXBMFYSA-N 307.394 -0.259 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)CCOCC#C)CC1 1200522842 AFMGUXAEOHRZAW-UHFFFAOYSA-N 305.378 -0.644 30 20 DBED C#CCNC[C@@H]1CN(C(=O)COCc2nccn2C)CCCO1 1200766398 CFUYAIAWDRVHMM-CQSZACIVSA-N 320.393 -0.223 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCCO[C@@H](CNCC(N)=O)C1 1201438886 QLZXJLHUJRVXTM-XQQFMLRXSA-N 311.382 -0.730 30 20 DBED C#CCCNC[C@H]1CN(C(=O)C[C@@H]2CC(=O)NC2=O)CCCO1 1202249487 BBYNVWZEPQFUBV-STQMWFEESA-N 321.377 -0.730 30 20 DBED C[C@@H]1CC[C@H](C(=O)N2CCC(NCC(=O)NCC#N)CC2)O1 1202575675 URXNYSVAPJMQDK-DGCLKSJQSA-N 308.382 -0.226 30 20 DBED CS(=O)(=O)NCCC(=O)N[C@H]1C[C@H](NCC#N)C12CCC2 1202993984 AZXZNWSHKREXMY-QWRGUYRKSA-N 314.411 -0.534 30 20 DBED C=CCOCC(=O)N1CCC(CNCC(=O)NCC#N)CC1 1204794266 ZMRWVGPPHBLNAW-UHFFFAOYSA-N 308.382 -0.343 30 20 DBED N#CCNCC1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)CC1 1206932315 YXHXXNUFNOLTBF-LLVKDONJSA-N 300.384 -0.970 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)Cc2nnc(C)o2)C1 1207972513 UWIPUBJJTDPDEM-LBPRGKRZSA-N 319.365 -0.749 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)C2(COC)CCC2)[C@H](C)C1 1208022158 LJMORBTWXXNHQI-ZIAGYGMSSA-N 321.421 -0.011 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)c2cc(C)[nH]n2)[C@H](OC)C1 1211947130 MKDKIHGVLVKXLB-CHWSQXEVSA-N 321.381 -0.551 30 20 DBED Cc1cc(CC(=O)N2C[C@@H](NCC(=O)NCC#N)[C@H](C)C2)n[nH]1 1214425180 WZQYHDLSVBHIFD-ZWNOBZJWSA-N 318.381 -0.663 30 20 DBED C=CCCCN[C@@H]1CN(C(=O)CNC(=O)CNC(C)=O)C[C@H]1C 1214990355 LVHJJCSQZVWXAZ-TZMCWYRMSA-N 324.425 -0.359 30 20 DBED CS(=O)(=O)CCCC(=O)N1CCO[C@@H]2CN(CC#N)C[C@@H]21 1218771986 ROGXHURPYSQOFK-NWDGAFQWSA-N 315.395 -0.754 30 20 DBED CCCSCC(=O)N[C@@H]1CN(CC#CCOC)C[C@@H]1O 1219277088 KBPTWAIYWPMJBF-OLZOCXBDSA-N 300.424 -0.059 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)c2cn(C)nc2C)C1 1219370716 HJGVUYYPKPAVNP-KGLIPLIRSA-N 306.366 -0.847 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2ccns2)C1 1219717057 LGWPYIAJWMYHDY-ZJUUUORDSA-N 310.379 -0.780 30 20 DBED C#CCC1(C(=O)N[C@@H]2CN(CC(=O)NC3CC3)C[C@@H]2O)CCC1 1219783681 DLSMCBIWZSDIIE-KGLIPLIRSA-N 319.405 -0.380 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)COC[C@H](C)N2CCCC2)C1 1220387105 BVGOZDZRGHWJOJ-XHSDSOJGSA-N 323.437 -0.328 30 20 DBED C=CCOCC(=O)N1C[C@H]2CCN(Cc3nc(=O)n(C)[nH]3)C[C@H]21 1221443331 XJVUHHQESHZQOP-VXGBXAGGSA-N 321.381 -0.656 30 20 DBED C=CCCOCC(=O)N1C[C@H]2CCN(CC(=O)NCC#N)C[C@H]21 1222064395 SDAHWIWZWGVPKT-ZIAGYGMSSA-N 320.393 -0.248 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]2CCN(CC(=O)NCC#N)[C@H]2C1 1222441967 AISNWHUEFHNSDV-UPJWGTAASA-N 303.366 -0.291 30 20 DBED CCCN(C)CC(=O)NCC1CCN(CC(=O)NCC#N)CC1 1225228610 RUEBUHYXNFKBHB-UHFFFAOYSA-N 323.441 -0.204 30 20 DBED N#CCSCC(=O)NC1CCN([C@H]2CCC(=O)NC2=O)CC1 1226152605 LRRBYZZLXGRECU-NSHDSACASA-N 324.406 -0.371 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)[C@H](CC)N(C)C)CC1 1229223712 PQAVBHDXODYNPX-AWEZNQCLSA-N 308.426 -0.343 30 20 DBED C=CCCCN1CCC(NC(=O)C[C@H](NC(C)=O)C(N)=O)CC1 1229476219 ITRPUDCPXJQYFL-AWEZNQCLSA-N 324.425 -0.087 30 20 DBED CCn1ccnc1C(=O)N(C)C[C@@H]1CCN1CC(=O)NCC#N 1233916194 ULZHJEHEPFRQSE-LBPRGKRZSA-N 318.381 -0.311 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)CCCNC(=O)COCC1CC1 1234360325 IEBJEODIPDMFBR-CYBMUJFWSA-N 309.410 -0.011 30 20 DBED C=CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)C[C@@H]1CCNC1=O 1235283257 WPPVWYGAZHMMRL-QWHCGFSZSA-N 322.409 -0.653 30 20 DBED CC(=NOCC(N)=O)c1c(C)nn(CCS(C)(=O)=O)c1C 1254076694 HSOOCRIAPHFKIF-UHFFFAOYSA-N 316.383 -0.230 30 20 DBED CCCc1csc(NC(=O)C(=O)NCC(=O)NCC#N)n1 1323054304 KYRSAUSXLWFRKE-UHFFFAOYSA-N 309.351 -0.210 30 20 DBED CC(C)[C@@H](C(=O)NCC1(NCC(=O)NCC#N)CC1)N(C)C 1323468086 LDENRTAOLDAIFG-ZDUSSCGKSA-N 309.414 -0.549 30 20 DBED CC(=O)NC[C@H]1CN(C(=O)C(=O)NCCCCC#N)CCO1 1324372995 BVFPFRGBLBPIQS-LBPRGKRZSA-N 310.354 -0.840 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2CCC[C@]23NC(=O)NC3=O)nn1 1326344603 WBJRIRTXJPPPRL-XPTSAGLGSA-N 318.337 -0.428 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)C(=O)N2CCCC3(C2)OCCO3)C1 1327024711 PGFMMIDXQDKHMU-CQSZACIVSA-N 323.349 -0.771 30 20 DBED C#CCNC(=O)C1CCN(C(=O)NCCCC(=O)NC)CC1 1327173085 ZRWOVXVPKHTLOY-UHFFFAOYSA-N 308.382 -0.316 30 20 DBED Cn1cc([C@@H]2C[S@](=O)CCN2CC(=O)NCCC#N)cn1 1328770484 HPWCHAPWSSIQCN-LAJNKCICSA-N 309.395 -0.445 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)N2CC[C@H](CCN)C2)CCN1C1CC1 1334386427 HVXZQBKBCINWMD-JSGCOSHPSA-N 319.409 -0.618 30 20 DBED C#CCN(C(=O)C(=O)N1CCN([C@H]2CCOC2)CC1)C(C)C 1338206647 INSBTWHBGYXNOA-AWEZNQCLSA-N 307.394 -0.210 30 20 DBED C=CC[C@H](NC(=O)N1CCS(=O)(=O)CC1)C(=O)OCC 1339459308 SHSADZODWUZDOP-JTQLQIEISA-N 304.368 -0.066 30 20 DBED C#CCOCCNC(=O)C(=O)NCc1nnc2n1CCCCC2 1340242361 AUYHHXDAZFQLGW-UHFFFAOYSA-N 319.365 -0.613 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)NCc1nnc2n1CCCCC2 1340245087 TVQMOKBVXBLOCO-NSHDSACASA-N 321.381 -0.062 30 20 DBED C=CCN(CC(=O)OCC)C(=O)N1CCS(=O)(=O)CC1 1344055872 BEARHLWUJGEXAT-UHFFFAOYSA-N 304.368 -0.112 30 20 DBED CN1CCC[C@H](NC(=O)C(=O)N2CCC[C@](C)(C#N)C2)C1=O 1352329889 MOOUGMNAMBEHKH-XHDPSFHLSA-N 306.366 -0.124 30 20 DBED CO[C@](C)(C(=O)NCCn1cc(C#N)c(O)nc1=O)C1CC1 1363285410 FOZIGSOAYJCTSS-AWEZNQCLSA-N 306.322 -0.248 30 20 DBED CC(C)OC[C@@H]1CN(c2[nH]c(=O)n(C)c(=O)c2C#N)CCO1 1364167839 GUNSWFPRZWMJDO-JTQLQIEISA-N 308.338 -0.425 30 20 DBED CCCS(=O)(=O)CC(=O)N(C)C[C@H](C)NC(=O)[C@@H](C)C#N 1370515607 HBJLPZOERJGNOY-QWRGUYRKSA-N 317.411 -0.066 30 20 DBED C[C@H](C#N)C(=O)NCCN1CCN(Cc2nncs2)CC1 1398266411 IVZMNNNSQASNCC-LLVKDONJSA-N 308.411 -0.068 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H](O)CNCc2cnsn2)c1 1401515590 XZIOULZZGLVHRO-SNVBAGLBSA-N 306.351 -0.382 30 20 DBED C[C@H](C#N)C(=O)NCCN(C)C(=O)c1cnn2c(=O)cc[nH]c12 1408673688 FBCUBEZYFPKICX-SECBINFHSA-N 316.321 -0.630 30 20 DBED N#Cc1cn(CC(=O)N[C@@H]2CCN3CCCC[C@H]23)c(=O)nc1O 1411640733 DFMSOWZQYAQXJG-VXGBXAGGSA-N 317.349 -0.436 30 20 DBED C[C@H](CNC(=O)Cc1nc[nH]n1)N(C)C(=O)c1ccc(C#N)[nH]1 1411709284 KWYYPJBDSJXAKP-SECBINFHSA-N 315.337 -0.176 30 20 DBED C[C@@H](C(=O)N[C@H]1CCCN(CCCO)C1)n1cnc(C#N)n1 1412975167 FQFIHDXGNOWKCY-RYUDHWBXSA-N 306.370 -0.326 30 20 DBED CCO[C@@H](C(=O)NCCn1cc(C#N)c(O)nc1=O)C1CC1 1413308547 NUCKCQRMNSBGGL-LLVKDONJSA-N 306.322 -0.248 30 20 DBED C=C(Cl)CN1CC[C@H](NC(=O)CS(=O)(=O)CCOC)C1 1421237676 SCUBBKPYOWLAAY-NSHDSACASA-N 324.830 -0.009 30 20 DBED C[C@H](C#N)C(=O)NCC1CN(C(=O)[C@H](C)CN2CCOCC2)C1 1432476473 MTSDSZHMGPFRLD-CHWSQXEVSA-N 322.409 -0.311 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1cn2cccnc2n1 1458032537 VLQIIJIBCKEOBT-VHSXEESVSA-N 316.321 -0.904 30 20 DBED C=C(C)C[C@H](NS(=O)(=O)CCN1CCOC1=O)C(=O)O 1573324632 WEAYIEGSLOJLDD-VIFPVBQESA-N 306.340 -0.223 30 20 DBED C[C@H](CNC(=O)[C@H](C)C#N)CNc1nccnc1-c1nn[nH]n1 1574838217 YAWFBAQRAMSBNQ-DTWKUNHWSA-N 315.341 -0.019 30 20 DBED Cn1ncc(CCC(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[nH]2)n1 1581831844 JSXSCYTURDXTRX-UHFFFAOYSA-N 313.285 -0.839 30 20 DBED C#C[C@@H]1CCCN(c2[nH]c(=O)n(C)c(=O)c2-c2nn[nH]n2)C1 1588332380 JHCHQDLDMYFBQZ-MRVPVSSYSA-N 301.310 -0.897 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)[C@H](C)CN=c1cc[nH]c(C(=O)O)n1 1588489740 BYIUTWSSYNDKOD-MNOVXSKESA-N 320.349 -0.106 30 20 DBED CN1C(=O)CC[C@@H](Nc2cnc(-c3nn[nH]n3)c(C#N)n2)C1=O 1591163811 YDIVSFSENPGYGP-ZCFIWIBFSA-N 313.281 -0.912 30 20 DBED CCO[C@H]1C[C@](NC(=O)Cn2cnc(C#N)n2)(C(=O)O)C1(C)C 1596817146 BADRBOHGPJJDDR-XPTSAGLGSA-N 321.337 -0.076 30 20 DBED COC(=O)CN1CCN(c2ccc(C(=O)O)nc2C#N)CC1 1598863960 RSLLUTZHWKVSSA-UHFFFAOYSA-N 304.306 -0.054 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC(NC(=O)[C@H]3C[C@@H]3C(=O)O)C2)c1 1601084144 JZPZINRWSKDCTM-UWVGGRQHSA-N 302.290 -0.452 30 20 DBED C#CCN(CC(=O)O)c1nnc([C@@H]2CCNC(=O)CC2)n1C 1602700735 GWUMUQBVBFHIMS-JTQLQIEISA-N 305.338 -0.277 30 20 DBED N#Cc1cc(Cn2c(=O)c(C#N)cn(CC(=O)O)c2=O)ccn1 1605591944 JPYZBHJOQSPGDR-UHFFFAOYSA-N 311.257 -0.719 30 20 DBED C[C@@H](C(=O)O)S(=O)(=O)NC(=O)COc1cccc(C#N)c1 1609642491 TVTYSMCGLWZGNZ-QMMMGPOBSA-N 312.303 -0.144 30 20 DBED CC#CCCCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCN2C)C1 1739408099 JECJUEAPHCXPBZ-RBSFLKMASA-N 321.421 -0.038 30 20 DBED N#CCNC(=O)CN[C@H]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 1752621464 UYNDMGGYPXGLLK-XYPYZODXSA-N 300.322 -0.623 30 20 DBED C#CCNC(=O)CN[C@@H](C)CNC(=O)[C@@H]1CCc2nccn2C1 1752882231 QLTYJKTXHHXJRI-QWHCGFSZSA-N 317.393 -0.711 30 20 DBED C#CCNC(=O)CNC[C@H]1CCN(C(=O)c2coc(OC)n2)C1 1752945693 OIFMJNSVCKXYIE-LLVKDONJSA-N 320.349 -0.516 30 20 DBED C=CCNC(=O)CN[C@@H]1CCC[C@@H](NC(=O)C2(C(N)=O)CC2)C1 1752976540 OQQSUVRUCTWPCJ-VXGBXAGGSA-N 322.409 -0.429 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCO[C@H](CNC(=O)C#CC(C)C)C1 1753648830 NWODACHKYAZSQL-HUUCEWRRSA-N 319.405 -0.399 30 20 DBED C#CCNC(=O)CN(C)CCN(C)C(=O)C[C@@](C)(O)C1CC1 1753851146 ULQNYBQZCMNMAO-MRXNPFEDSA-N 309.410 -0.323 30 20 DBED COCC#CCNCC[C@@H](C)NC(=O)c1ccn2nnnc2c1 1753988361 DCWNJADTQIPZOK-GFCCVEGCSA-N 316.365 -0.128 30 20 DBED CCN1CCOC[C@@H]1C(=O)N(C)CCCNCC#CCOC 1754381365 CLZCEKZYFQJLFW-OAHLLOKOSA-N 311.426 -0.205 30 20 DBED C=CCNC(=O)CNC[C@@H]1CCCN1C(=O)[C@@H](C)NC(C)=O 1754605375 DFSYLGWLYFZPOX-YPMHNXCESA-N 310.398 -0.606 30 20 DBED C#CCN(C(=O)c1cnsn1)C1CCN([C@@H](C)C(N)=O)CC1 1754632990 JLNYCHUECIYYDC-JTQLQIEISA-N 321.406 -0.048 30 20 DBED C#CCNC(=O)CN1CC[C@@](O)(CNC(=O)CC(F)(F)F)C1 1754745765 HRAPRNSLGVXQIA-GFCCVEGCSA-N 321.299 -0.759 30 20 DBED C#CCCCC(=O)NC[C@]1(O)CCN([C@H]2CCN(CC)C2=O)C1 1754748695 LHRNJEMBDOWWRL-WMLDXEAASA-N 321.421 -0.036 30 20 DBED CC#CCN1CC[C@](O)(CNC(=O)c2coc(C(N)=O)c2)C1 1754756879 YLAYQCYQTXJIIU-HNNXBMFYSA-N 305.334 -0.432 30 20 DBED C#CCNC(=O)[C@H](C)N1CC(O)(CNC(=O)c2nccs2)C1 1754777596 UOFWJZGRLSRBSV-JTQLQIEISA-N 322.390 -0.943 30 20 DBED CC#CCN1CCC[C@@](CO)(NC(=O)[C@@H]2CC(=O)N(CC)C2)C1 1754856453 LLAFIDBEMBZOQJ-RHSMWYFYSA-N 321.421 -0.179 30 20 DBED N#CCNC[C@H]1CC[C@H](NC(=O)CCCS(N)(=O)=O)CC1 1754955835 UEYFUEWVJGMIMT-HAQNSBGRSA-N 316.427 -0.157 30 20 DBED C#CCCNCC1(O)CCN(C(=O)[C@@H](C)[C@@H]2CCC(=O)N2)CC1 1755153332 XZBPYJTVDQNMHQ-KBPBESRZSA-N 321.421 -0.133 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)c2cnnn2C)C[C@@H]1C 1755160821 RPMIFWZNKOYMGS-RYUDHWBXSA-N 320.397 -0.300 30 20 DBED C[C@H](CNC(=O)c1n[nH]c2c1CCC2)N(C)CC(=O)NCC#N 1755306832 SHRIDSFFNLGKFB-SNVBAGLBSA-N 318.381 -0.412 30 20 DBED C#CCNC[C@H]1CC2(CCN(C(=O)CCNC(N)=O)CC2)CO1 1755463525 NUIMGSJHSJQLKK-CYBMUJFWSA-N 322.409 -0.335 30 20 DBED C[C@H](CN(C)C(=O)C[C@H]1CCCOC1)NCC(=O)NCC#N 1755618795 ZMKFPXHZCBDXFG-CHWSQXEVSA-N 310.398 -0.121 30 20 DBED C#CCCN(C)C[C@@H](O)CN(C)C(=O)CN1CCCCC1=O 1755803436 UWLYIVBZNGGUNY-CQSZACIVSA-N 309.410 -0.227 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCN(C)C1=O)N(C)C(=O)C#CC1CC1 1756062224 NJUKXOHPPRJZAZ-WCQYABFASA-N 305.378 -0.159 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H](CO)NC(=O)Cc1ccccc1 1756520723 BZCLAAVJPSGHLJ-DZGCQCFKSA-N 318.373 -0.139 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H](CO)NC(=O)c2cnccn2)cc1 1756539216 ZOOOKCJZTZWOHY-AWEZNQCLSA-N 324.340 -0.021 30 20 DBED CC#CCCCC(=O)NC[C@H](CO)NC(=O)c1ccc(O)nn1 1756541992 ATBSZOFWSOXAAC-LLVKDONJSA-N 320.349 -0.417 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](C)[C@H](CNC(=O)C(N)=O)C1 1756808059 RNMZEXMFAJCHKI-VXGBXAGGSA-N 309.366 -0.888 30 20 DBED C=CCOCC(=O)N1C[C@H]2CC[C@H]1[C@@H](CNC(=O)CC(N)=O)C2 1756936688 ROVDRBRIPFZPLC-XQQFMLRXSA-N 323.393 -0.192 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@@H](NC(=O)c2cn[nH]c2)[C@H](OC)C1 1757116751 APUKBRDDFMQYDA-CYZMBNFOSA-N 320.349 -0.596 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H]1CN(C)C(=O)COCC 1757275616 YKKRLPAAKLYLQI-GFCCVEGCSA-N 309.366 -0.778 30 20 DBED N#C[C@H]1CN(S(=O)(=O)NCc2nnc(C3CC3)o2)CCO1 1771690378 VTFSKCRPLODJMU-VIFPVBQESA-N 313.339 -0.494 30 20 DBED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCNC(C)C)C[C@@H]21 1790790516 FYSIZKNZHMVEIC-KKUMJFAQSA-N 321.421 -0.013 30 20 DBED CC[C@H](C)[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC#N 1795078689 KZVYZHNBWLEREU-QIRZIZBZSA-N 323.393 -0.103 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCCN(C)C1)C2 1800453896 PBUAURPPZUDUBZ-HGTKMLMNSA-N 319.405 -0.449 30 20 DBED C#CCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CNC(N)=O)C2 1804189688 XYEFWTVFIWWEPR-ZSBIGDGJSA-N 306.366 -0.294 30 20 DBED N#CCC(=O)NC[C@@H]1CCN(C(=O)C(O)O)[C@H]1c1cccnc1 1806275860 MFKMMLQCXIIYLW-AAEUAGOBSA-N 318.333 -0.688 30 20 DBED N#CCCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C(O)O)CC2 1814489337 GTSZTQYMFPCYEJ-ZETCQYMHSA-N 324.362 -0.330 30 20 DBED C#CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](N)CN)CC1 1831321266 PTWLPYXGEGTSBX-UONOGXRCSA-N 306.410 -0.475 30 20 DBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)S)CCO2 1840164161 ATJLAVUOSUJTJX-FZMZJTMJSA-N 312.391 -0.606 30 20 DBED N#CC1(C(=O)N2CCCC23CN(C(=O)c2nc[nH]n2)C3)CC1 1842807437 BFTHKZXDCRUWOE-UHFFFAOYSA-N 300.322 -0.075 30 20 DBED N#CCCC(=O)N1CC2(CCCN2C(=O)CN2CCOCC2)C1 1842824454 DXXXXPMKAPJCHD-UHFFFAOYSA-N 320.393 -0.174 30 20 DBED C=CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CC(=O)NC 1847766423 DBIDWKXYLUVOOI-AGIUHOORSA-N 323.393 -0.085 30 20 DBED C#CCNS(=O)(=O)c1ccc(C(=O)NCCNC(C)=O)cc1 27671884 KXXSPNMWDVPEDA-UHFFFAOYSA-N 323.374 -0.536 30 20 DBED N#Cc1ccc(S(=O)(=O)N2CCS(=O)(=O)CC2)cc1 36162937 UTCYSTXHWGBGOV-UHFFFAOYSA-N 300.361 -0.023 30 20 DBED C[C@@H](C#N)CN(C)C(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 69262197 SEALRFMTGFRGTL-UONOGXRCSA-N 322.409 -0.215 30 20 DBED C#CCNC(=O)Cn1cnc2c(c(Br)nn2C)c1=O 102148207 HWAIPMLHWDMOBK-UHFFFAOYSA-N 324.138 -0.358 30 20 DBED C=CCCS(=O)(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 119403332 PQVFPXMDPLMVQK-LBPRGKRZSA-N 322.452 -0.303 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@H](CC)N(C)C)CC1 125134375 JHWVVZXGSYNSAJ-AWEZNQCLSA-N 308.426 -0.390 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(C[C@@H](F)C(=O)OC)c1=O 126351069 NWZREJBVNOBWDN-SECBINFHSA-N 313.285 -0.945 30 20 DBED C#CCOCCC(=O)N1CCC(C(=O)NCCN(C)C)CC1 178916176 UXEMGDQONCPCJF-UHFFFAOYSA-N 309.410 -0.057 30 20 DBED CS(=O)(=O)NCCCNS(=O)(=O)c1cccnc1C#N 235058795 ITIGDLVYENRAMI-UHFFFAOYSA-N 318.380 -0.829 30 20 DBED CNC(=O)C1CN(C(=O)C(=O)Nc2cccc(OCC#N)c2)C1 274362105 BGCRFDWHOGSFKO-UHFFFAOYSA-N 316.317 -0.268 30 20 DBED C=CCCN(C)C(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 276237864 LNIJSFHSINRYKC-UHFFFAOYSA-N 314.367 -0.574 30 20 DBED C#CCNC(=O)c1ccc(NC[C@H]2CC(C(N)=O)=NO2)nc1 289814643 ZQTSZIUAXDOKBG-SNVBAGLBSA-N 301.306 -0.513 30 20 DBED N#Cc1ccc(S(=O)(=O)NCC(=O)NC[C@H]2CCOC2)cc1 289855869 CMBUBRSJUKEYPI-GFCCVEGCSA-N 323.374 -0.011 30 20 DBED N#Cc1ccc(NC(=O)C(=O)N2CC[C@H](C(N)=O)C2)cc1F 290138095 BJCWEWLCPCPBHJ-VIFPVBQESA-N 304.281 -0.030 30 20 DBED COC(=O)[C@@H](CNC(=O)C(=O)Nc1ccc(F)c(C#N)c1)OC 293270965 GKHWYFYGGQAWOD-LLVKDONJSA-N 323.280 -0.060 30 20 DBED COC[C@H](/N=C(/O)N1CC[C@H](S(N)(=O)=O)C1)[C@H]1CCCO1 330369547 BZGXTRSZDJFJEY-GARJFASQSA-N 321.399 -0.543 30 20 DBED CCS(=O)(=O)N(C)CCC/N=C(/O)N1CCNC(=O)C1 330468962 KTOOCZMLPVBNIM-UHFFFAOYSA-N 306.388 -0.996 30 20 DBED CC(C)CN1CCO[C@@H](C/N=C(/O)N2C[C@@H](O)C[C@H]2CO)C1 331110056 INBJUPQVFSSLPH-IHRRRGAJSA-N 315.414 -0.315 30 20 DBED CS(=O)(=O)c1ccc(N=C(O)N2CCO[C@H](CO)C2)cn1 331130638 GLJIPNXSUBMDIT-JTQLQIEISA-N 315.351 -0.276 30 20 DBED CCNC(=O)C(C)(C)CNS(=O)(=O)N1CCO[C@H](C#N)C1 336896360 RSRJRSRMTXVQPF-SNVBAGLBSA-N 318.399 -0.793 30 20 DBED CCOC(=O)[C@H](C)[C@@H](C)NS(=O)(=O)N1CCO[C@H](C#N)C1 336950588 SZUXXAYSHMOWRV-GMTAPVOTSA-N 319.383 -0.367 30 20 DBED CCOC(=O)[C@@H](CO)NS(=O)(=O)N(CC)C[C@@H](C)C#N 336955196 YGBADDMNVPKXIE-VHSXEESVSA-N 307.372 -0.774 30 20 DBED CN1CC[C@](O)(CNC(=O)C(=O)Nc2sccc2C#N)C1 340191650 KWIMXZPGYDCQFC-ZDUSSCGKSA-N 308.363 -0.259 30 20 DBED CCO[C@H]1C[C@@](CO)(NC(=O)NCC(=O)NCC#N)C1(C)C 358303529 XYOLYUMQAWUOSG-HZMBPMFUSA-N 312.370 -0.509 30 20 DBED Cc1cc(NC(=O)NCCNC(=O)N(C)C)nn1CCC#N 359021870 VLBVUUVZMAZKMY-UHFFFAOYSA-N 307.358 0.498 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N1CCSC[C@@H]1C(=O)O 417482294 XLKNEQHAADKJDB-RKDXNWHRSA-N 307.397 -0.033 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H]1CCS(=O)(=O)[C@H]1C 431643227 MQYZBOVEIPHTKE-VWYCJHECSA-N 323.440 -0.122 30 20 DBED CC(C)C[C@@H](CO)NC(=O)C(=O)Nc1ccn(CCC#N)n1 444516445 CZYISNAHMNCKNF-NSHDSACASA-N 307.354 0.258 30 20 DBED N#Cc1ccc(C(=O)NC[C@@H]2CS(=O)(=O)CCO2)cc1O 525952085 JAJCSMHTDIUYNW-LLVKDONJSA-N 310.331 -0.193 30 20 DBED CN1CC[C@H](NCCS(=O)(=O)c2ccc(C#N)cn2)C1=O 579583448 UIAUQWWESLBTHM-NSHDSACASA-N 308.363 -0.453 30 20 DBED CS(=O)(=O)c1ccc(S(=O)(=O)N2CC(C#N)C2)cn1 590089426 OLAZTGDUHYGTAH-UHFFFAOYSA-N 301.349 -0.371 30 20 DBED CSCC[C@H](NS(=O)(=O)N(C)[C@H](C)CC#N)C(N)=O 599405376 QZBJDWGHZZOZRL-BDAKNGLRSA-N 308.429 -0.338 30 20 DBED CS(=O)(=O)NC1CN(C(=O)CNc2ccc(C#N)cc2)C1 600327722 VAXJUYMZNXURLV-UHFFFAOYSA-N 308.363 -0.270 30 20 DBED CN1CCN(C(=O)CNCc2cnc3c(C#N)cnn3c2)CC1 604473795 IRJHWBCPPMKKLW-UHFFFAOYSA-N 313.365 -0.535 30 20 DBED Cn1cc(C(=O)NCC#CCNC(=O)c2cnn(C)c2)cn1 680340237 XEGICGUJQRMDRL-UHFFFAOYSA-N 300.322 -0.683 30 20 DBED N#CCCNC(=O)COC(=O)CNC(=O)c1ccc(C#N)cc1 727008754 TUWXISLTRDXMAN-UHFFFAOYSA-N 314.301 -0.139 30 20 DBED CNS(=O)(=O)c1ccc(C(C)=NNS(C)(=O)=O)cc1 764698456 GLERZAOCHJTLEG-UHFFFAOYSA-N 305.381 -0.132 30 20 DBED CC(CO)(CO)C(=O)OCC(=O)NCc1cccc(C#N)c1 767099771 CSLQJHMUJAONGU-UHFFFAOYSA-N 306.318 -0.291 30 20 DBED C=C[C@H](C)OC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 781583507 RUECNXAOGPBUOL-VIFPVBQESA-N 306.322 -0.059 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCCS(C)(=O)=O 788390700 JWQGVPXWWSRDLJ-MNOVXSKESA-N 318.395 -0.755 30 20 DBED C=CCNC(=O)COC(=O)[C@](C)(O)Cn1ccc(C)cc1=O 790687859 VLIGCPYWODHCOZ-OAHLLOKOSA-N 308.334 -0.247 30 20 DBED C[C@](O)(CNC(=O)NCCn1cnc(C#N)n1)c1ccco1 805823296 FOFOQTPZIGPLJQ-ZDUSSCGKSA-N 304.310 -0.050 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CC(=O)N(C)C[C@@H]1C 814180290 FQFWNPDFXLMPTH-SCRDCRAPSA-N 323.393 -0.227 30 20 DBED N#Cc1cc(S(N)(=O)=O)ccc1NCCN1CC[C@H](O)C1 858867783 RVKSAVYMJQGMEW-NSHDSACASA-N 310.379 -0.316 30 20 DBED N#Cc1ccc(N2CCN(C(=O)C[C@@H]3COCCN3)CC2)cn1 877296726 JGHCSTSWTVYGHU-CQSZACIVSA-N 315.377 -0.020 30 20 DBED C#CC1(O)CN(S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)C1 908229099 LPXCSRMGZZSZRV-UHFFFAOYSA-N 315.372 -0.541 30 20 DBED COC(=O)c1c[nH]nc1S(=O)(=O)N1CCN(CC#N)CC1 912538132 NYWWQZOUGXAWOT-UHFFFAOYSA-N 313.339 -0.974 30 20 DBED CC(C)(C#N)CS(=O)(=O)NCCC(=O)N1CCOCC1 913883850 CNXCULPSSWNIHU-UHFFFAOYSA-N 303.384 -0.296 30 20 DBED COc1cc(C#N)ccc1C(=O)NCCN1CCNC(=O)C1 935312510 OWVMBRSEIWXDGT-UHFFFAOYSA-N 302.334 -0.272 30 20 DBED N#Cc1cc(C(=O)NC[C@@H]2CCCCN2C(=O)C(N)=O)c[nH]1 937465513 ZCQHBSMEBGSWPA-NSHDSACASA-N 303.322 -0.517 30 20 DBED CS(=O)(=O)CC(=O)N1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 940060673 LXJZSWGSWACPNQ-SNVBAGLBSA-N 324.362 -0.738 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@@H](C)OC)C1 941237875 LHCWFFBXEOWZRE-MCIONIFRSA-N 307.394 -0.164 30 20 DBED COc1ccc(C(=O)N[C@@H]2CCN(C(=O)[C@H](C)C#N)C2)nn1 942403482 PGPKRUMUFLTDQK-NXEZZACHSA-N 303.322 -0.024 30 20 DBED Cc1cc(C(=O)NC[C@@H]2CN(C(=O)[C@H](C)C#N)CCO2)cnn1 944567140 MUQGHDZPACVWSN-ZWNOBZJWSA-N 317.349 -0.098 30 20 DBED C[C@@H](C#N)C(=O)N1CC(N(C)C(=O)[C@@H]2CCCN(C(N)=O)C2)C1 954755789 UCTDAQLOWBWLQH-WDEREUQCSA-N 321.381 -0.394 30 20 DBED C#Cc1ccc(C(=O)N(C)C2CN(C(=O)c3cnn(C)n3)C2)cn1 954917372 RMYHTEJWDHKESG-UHFFFAOYSA-N 324.344 -0.212 30 20 DBED C=CCCn1cc(C(=O)NC[C@H]2CN(CC#CC)C[C@@H]2O)nn1 958468164 SOQXMWHUPBVJHZ-ZFWWWQNUSA-N 317.393 -0.100 30 20 DBED COc1ccc(CN2C[C@H]3[C@H](NC(=O)C(N)=O)[C@H]3C2)cc1C#N 961641483 RJYKFCUIWMIDFZ-IMRBUKKESA-N 314.345 -0.401 30 20 DBED C=CCn1cc(C(=O)NC2[C@@H]3CN([C@H](CC)C(N)=O)C[C@@H]23)nn1 961996700 YQBXHCHSFFEZQA-CKYFFXLPSA-N 318.381 -0.612 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C[C@@H]2C1 962155900 ICKURAXJTHTEFL-BSCCGWMCSA-N 303.362 -0.045 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H]2CN(C(=O)Cn3nccn3)C[C@H]21 963828988 UKLDZDUHDOGYRH-FRRDWIJNSA-N 316.365 -0.113 30 20 DBED C[C@H](C#N)C(=O)N1CCOC2(CN(C(=O)Cn3ccnc3)C2)C1 965476913 JHHGOVJSFIWHMH-GFCCVEGCSA-N 317.349 -0.517 30 20 DBED O=C(C#CC1CC1)N1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1nccn1 969091415 HNYQMABHXFLBOR-OKILXGFUSA-N 313.361 -0.107 30 20 DBED Cc1nc[nH]c1CC(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 969413091 NPOJSEDJEJSGSH-KGLIPLIRSA-N 316.361 -0.638 30 20 DBED CN(CC#N)[C@H]1CCN(C(=O)c2coc(S(N)(=O)=O)c2)C1 971813599 OEMZMEGVDNUEJB-JTQLQIEISA-N 312.351 -0.403 30 20 DBED C#CCCN1C[C@H]2CC[C@H]1CN2C(=O)[C@@H]1CC(=O)NC(=O)N1 971869007 GYJDVYPTCRWIKP-TUAOUCFPSA-N 304.350 -0.717 30 20 DBED C#CCCN1CCO[C@]2(CCN(C(=O)[C@@H]3CN(C)C(=O)N3)C2)C1 972503564 GXONLRHGCCBGJV-XJKSGUPXSA-N 320.393 -0.663 30 20 DBED CN(CC#N)[C@@H]1CCN(C(=O)[C@@H]2CCN(C)S2(=O)=O)C1 972526403 FRLKXZXLWIVYES-MNOVXSKESA-N 300.384 -0.923 30 20 DBED CC(C)(C)n1nnc(C(=O)NCC2[C@@H]3CN(CC#N)C[C@@H]23)n1 978204605 DBGFWMLTDLVMIG-QWRGUYRKSA-N 303.370 -0.141 30 20 DBED C=C(Cl)CN[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)[C@@H]1C 987481658 KYOANJYNYGQYOV-NXEZZACHSA-N 314.773 -0.130 30 20 DBED C[C@H]1C[C@H](NCc2nnnn2C)CN1C(=O)c1c[nH]c(C#N)c1 988609972 FDOPGRAQVKLLPI-CABZTGNLSA-N 314.353 -0.197 30 20 DBED C=CCCN1CCCN(C(=O)CN2CC(=O)N(C)C2=O)CC1 989472227 FRCDLFCDHPFQKB-UHFFFAOYSA-N 308.382 -0.009 30 20 DBED C[C@H]1C[C@@H](NCC#N)CN1C(=O)c1cnn2c(=O)cc[nH]c12 989534273 TUCXNIMOAAUPDW-VHSXEESVSA-N 300.322 -0.261 30 20 DBED C[C@@H]1C[C@@H](NCC#N)CN1C(=O)c1cn(CC(=O)N(C)C)nn1 989831988 OFUPKYJLMPCLBI-GHMZBOCLSA-N 319.369 -0.918 30 20 DBED C#CCN[C@@H]1CCC[C@@H]2CN(C(=O)C3CS(=O)(=O)C3)C[C@H]21 992707285 HCLIZARFVBBXHT-MRVWCRGKSA-N 310.419 -0.119 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)c3cncnc3O)C2)nc1 997092654 HYQPISULCMEVEO-UHFFFAOYSA-N 323.312 -0.187 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H]1CCCN1C(=O)CC(N)=O 1002294288 PNKOIFOXJPTMTP-UPJWGTAASA-N 323.393 -0.098 30 20 DBED C#Cc1ccc(C(=O)NCC2CN(C(=O)CC(N)=O)C2)nc1 1003465774 QLLKEZYDTHDAMO-UHFFFAOYSA-N 300.318 -0.874 30 20 DBED CC#CCN1CCC[C@@H](NC(=O)[C@@H]2CN(C(C)=O)CCO2)C1 1009381224 BMFDJLCDGMOLFB-CABCVRRESA-N 307.394 -0.162 30 20 DBED C#Cc1ccc(C(=O)N2CCN(C(=O)c3cnn[nH]3)CC2)nc1 1011444147 YWNHOZZXDSLVID-UHFFFAOYSA-N 310.317 -0.221 30 20 DBED C[C@H]1CC[C@@H](NC(=O)Cn2cnnn2)CN1C(=O)C#CC1CC1 1017959427 AFOATMJGVAHWEN-WCQYABFASA-N 316.365 -0.418 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CN(C(=O)c3ccc[nH]3)C[C@H]2O)c[nH]1 1023455341 UWUIGNLTKZZLKR-CHWSQXEVSA-N 313.317 -0.170 30 20 DBED Cc1ncc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2O)n1C 1025216826 UCWCUADDAIMALU-HLUHBDAQSA-N 305.338 -0.810 30 20 DBED C#CCN[C@@H]1CC[C@H]2CN(C(=O)c3cc(=O)n(C)cn3)C[C@H]21 1026287274 QQBDSMSPKDPBAB-YNEHKIRRSA-N 300.362 -0.146 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2CCN(CC(=O)NC)C2)cn1 1028936475 YFPCMUGXVYTEML-LBPRGKRZSA-N 300.362 -0.139 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)c3cc[n+]([O-])cc3)C2)C1=O 1030072978 FAGUBGZOEWPWAU-CQSZACIVSA-N 316.361 -0.479 30 20 DBED C=C(C)CCN1CCO[C@@H](CNC(=O)C2CS(=O)(=O)C2)C1 1035387360 MQSSYRJUFLIJAD-ZDUSSCGKSA-N 316.423 -0.186 30 20 DBED CC#CCN1CCO[C@H](CNC(=O)c2ccc3nn[nH]c3n2)C1 1035390289 CLBFDMDLQBIFPW-LLVKDONJSA-N 314.349 -0.193 30 20 DBED C#CCCN1CCO[C@@H](CNC(=O)c2nc3ncccn3n2)C1 1035549935 ZSLAQJBGUZDAKP-LBPRGKRZSA-N 314.349 -0.422 30 20 DBED O=C(Cn1ncnn1)N[C@H]1[C@H]2C[C@H]1N(CC#Cc1ccccc1)C2 1037412302 WKLQDGGMRHDOFB-UXLLHSPISA-N 322.372 -0.086 30 20 DBED CC#CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)C1CCN(C(N)=O)CC1 1037714642 BYEOJCDJGGQOKP-HZSPNIEDSA-N 304.394 -0.011 30 20 DBED C#CCN1CCC(C(=O)NC[C@@H]2CCN2CC(=O)NC)CC1 1039041420 CLVXWBGDXWWEJH-AWEZNQCLSA-N 306.410 -0.732 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@]1(O)CCN(C(=O)CCOC)C1 1039721343 JWLUORHRCKVVFV-WFASDCNBSA-N 312.366 -0.859 30 20 DBED Cc1conc1C(=O)N1CC[C@@](O)(CNC(=O)[C@H](C)C#N)C1 1040759123 DXGNTVMZUPLEAN-YMTOWFKASA-N 306.322 -0.164 30 20 DBED N#Cc1nccnc1N1C[C@@H](O)[C@H](NC(=O)c2cnco2)C1 1041267596 YUXXDNYVCCRGSU-NXEZZACHSA-N 300.278 -0.684 30 20 DBED C=CCCCC(=O)N1CC(O)(CNC(=O)c2ccc(O)nn2)C1 1041341245 USHZSZRXIZAYNU-UHFFFAOYSA-N 320.349 -0.158 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)Cc3cnc[nH]3)C2)cn1 1041369699 LLQQJYBRNKSSCB-ZIAGYGMSSA-N 312.333 -0.415 30 20 DBED N#CCN1CC[C@@]2(CCN(C(=O)[C@@H]3CCS(=O)(=O)C3)C2)C1 1041450286 CMBRLJGERWZURT-TZMCWYRMSA-N 311.407 -0.131 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2cc[nH]n2)C1 1041608212 APQSUTKUDNNJAM-JTQLQIEISA-N 308.338 -0.696 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)CCC(F)F)C1 1042052948 XNDTVODRARLRHT-UHFFFAOYSA-N 306.309 -0.076 30 20 DBED CC[C@H](F)C(=O)N1CC(O)(CNC(=O)c2c[nH]c(C#N)c2)C1 1042672268 KDTYGAWWFARLRA-NSHDSACASA-N 308.313 -0.062 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1042803013 QPKJUJODIOEIAO-IMRBUKKESA-N 306.362 -0.628 30 20 DBED Cc1ncc(C(=O)N[C@@H]2CN(c3nccnc3C#N)C[C@@H]2O)[nH]1 1043877457 MEDFDXZKRZLBOG-NEPJUHHUSA-N 313.321 -0.641 30 20 DBED CC(C)COCCC(=O)N1CC(O)(CNC(=O)[C@@H](C)C#N)C1 1045541374 VGUNFUWFQDDQCN-LBPRGKRZSA-N 311.382 -0.102 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@]2(C)CCNC(=O)C2)C1 1047428145 AKBYRMGMNWWHGC-HEHGZKQESA-N 307.394 -0.571 30 20 DBED CN(C)CCn1cc(C(=O)N(C)[C@H]2CN(CC#N)C[C@@H]2O)cn1 1047558576 BRKYAMOLBGAKRK-KBPBESRZSA-N 320.397 -0.915 30 20 DBED C#CCCCC(=O)N(C)[C@H]1CN(C(=O)[C@H]2CCC(=O)N2)C[C@@H]1O 1048750030 IRPLYISRUILTJP-AGIUHOORSA-N 321.377 -0.901 30 20 DBED Cc1c[nH]nc1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C#CC2CC2)C1 1048821629 VIGAIVJRXHUBDO-STQMWFEESA-N 316.361 -0.225 30 20 DBED C#CCCN1C[C@@H]2CCCN(C(=O)Cn3cnnc3O)[C@@H]2C1 1050027034 ZAHBQENTHXLMKN-QWHCGFSZSA-N 303.366 -0.070 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)[C@H]1CCc2cncn2C1 1050991027 RVJXBGINLRNZTA-ZFWWWQNUSA-N 302.378 -0.104 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)[C@H]1CCCN(C(C)=O)C1 1051008354 VGWWMBDJQCAKNK-LSDHHAIUSA-N 307.394 -0.305 30 20 DBED C#CCCN1CCOC[C@H]1CNC(=O)c1ccc2nnnn2c1 1051022513 CABSDCMDSKZCMZ-CYBMUJFWSA-N 314.349 -0.422 30 20 DBED C=CCN1CCOC[C@@H]1CNC(=O)c1cc(C(N)=O)ccn1 1051273506 OWAUVOBEBIBKAM-LBPRGKRZSA-N 304.350 -0.203 30 20 DBED C#CCN1CCN([C@@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)CC1 1051996009 JNJSWXVSHFFECS-CVEARBPZSA-N 304.438 -0.068 30 20 DBED C[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1CNC(=O)C(N)=O 1052391344 LJQCTXVJZBOTRT-WCBMZHEXSA-N 303.322 -0.804 30 20 DBED C[C@H](C#N)C(=O)N1CCOC2(CN(Cc3cnn(C)c3)C2)C1 1053193755 SFZLVDPOXVWTFF-GFCCVEGCSA-N 303.366 -0.007 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)Cc3ccnn3C)CO2)C1 1053787847 FBZKKRBSISNCBV-CYBMUJFWSA-N 302.378 -0.055 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)[C@H]3CCCN(C(N)=O)C3)CO2)C1 1053865229 ULTMTECSXROFCS-NWDGAFQWSA-N 321.381 -0.740 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)[C@]3(C)CCC(=O)NC3)CO2)C1 1053903556 SWONMHSMFMLMNJ-CZUORRHYSA-N 319.405 -0.115 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)c3cnn(CCOC)c3)CO2)C1 1053994603 JKDSYBIGBGCZKP-AWEZNQCLSA-N 318.377 -0.264 30 20 DBED C[C@H]1CN(C(=O)c2coc(S(N)(=O)=O)c2)C[C@@H]1NCC#N 1054815628 IFPKVVUIVBILMI-WPRPVWTQSA-N 312.351 -0.499 30 20 DBED CC(C)C#CC(=O)N1C[C@H]2CN(C(=O)Cn3ncnn3)C[C@H]2C1 1055329399 YEONWUHKUCVGHM-BETUJISGSA-N 316.365 -0.751 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@](CO)(NC(=O)c2cnn(C)n2)C1 1056010579 BAFYFDSOZHCVED-IINYFYTJSA-N 320.353 -0.942 30 20 DBED C[C@H](C#N)C(=O)N[C@@]1(CO)CCCN(C(=O)CSCC#N)C1 1056094111 QBZRIGOPPXUGCT-RISCZKNCSA-N 324.406 -0.127 30 20 DBED CCn1nncc1C(=O)N[C@H]1[C@@H]2CN(c3ccc(C#N)nn3)C[C@@H]21 1056204211 XPUUDWAYSYPLFR-YABSGUDNSA-N 324.348 -0.176 30 20 DBED C#CCOCCC(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)CC(N)=O 1056323487 FSERTXVABNKADQ-QWHCGFSZSA-N 321.377 -0.506 30 20 DBED N#Cc1nc(=N[C@@H]2CCN(C(=O)CCc3cnn[nH]3)C2)cc[nH]1 1056781653 GBFLDHLVHVLPLB-LLVKDONJSA-N 312.337 -0.466 30 20 DBED C#CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)Cc1ccon1 1057246298 IONVVNMHMRYTJA-LBPRGKRZSA-N 323.349 -0.808 30 20 DBED C#CCCCCCC(=O)NCCN(CCO)C(=O)CC(N)=O 1057247893 OLUPUXLLHXKHMJ-UHFFFAOYSA-N 311.382 -0.617 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)c1ncn(C)n1 1057496076 DOCXFERTNRMRTI-UHFFFAOYSA-N 307.354 -0.831 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)CCOCC1CC1 1057587596 IPOUNDYYTSJYNF-GFCCVEGCSA-N 311.382 -0.100 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)C[C@@H]1CCC(=O)N1 1058073411 MSFXMWVMIXWSRW-ZDUSSCGKSA-N 323.393 -0.604 30 20 DBED N#Cc1nccnc1N1CCC[C@@H](NC(=O)Cn2cncn2)C1 1058160550 ZRYSFDRAEPANBI-LLVKDONJSA-N 312.337 -0.275 30 20 DBED CCn1ncc(C(=O)N[C@H]2CCN(c3ccnc(C#N)n3)C2)n1 1058353499 IFODSWVYTCAHQV-JTQLQIEISA-N 312.337 -0.032 30 20 DBED CCn1cc(C(=O)N(CCO)CCNC(=O)C#CC(C)C)nn1 1058666313 JTFCDEUCOBFUII-UHFFFAOYSA-N 321.381 -0.492 30 20 DBED N#Cc1cncc(NC[C@@H]2CCN(C(=O)Cn3cnnn3)C2)n1 1060803472 OMRMRBDINCMWEU-JTQLQIEISA-N 313.325 -0.705 30 20 DBED N#Cc1ccc(N2CCC[C@@H]2CNC(=O)[C@@H]2COCCO2)nn1 1061298414 MFOWZPVMONCBLH-OLZOCXBDSA-N 317.349 -0.151 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)c1ncccn1 1061848160 PEDXJJMLLJERGS-MNOVXSKESA-N 303.322 -0.407 30 20 DBED N#Cc1cccnc1N1[C@H]2CC[C@H]1CN(C(=O)Cn1cnnn1)C2 1061908985 CKTXSDCZBZFESH-STQMWFEESA-N 324.348 -0.180 30 20 DBED C=CCCCC(=O)N1CCO[C@@H](CNC(=O)[C@H]2CNC(=O)N2)C1 1065546408 WXYYVEKMLBEWBN-NWDGAFQWSA-N 324.381 -0.632 30 20 DBED CCN(C)CCC(=O)NC[C@@H]1CN(C(=O)[C@@H](C)C#N)CCO1 1065557509 RSIJMLBXGDSRCC-QWHCGFSZSA-N 310.398 -0.169 30 20 DBED N#Cc1nccnc1N1CCOC[C@H]1CNC(=O)c1cn[nH]c1 1066465047 ABRYZSDYAPGFAO-LLVKDONJSA-N 313.321 -0.293 30 20 DBED N#Cc1cnc(N2CCOC[C@H]2CNC(=O)c2cocn2)cn1 1066470253 LQOGGQDWDPVUCX-LLVKDONJSA-N 314.305 -0.029 30 20 DBED N#Cc1cnc(NC[C@@H]2CN(C(=O)C(N)=O)CCO2)c(Cl)c1 1066668829 LYKCUPAREQPBQU-SECBINFHSA-N 323.740 -0.269 30 20 DBED C[C@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1Nc1ccc(C#N)nn1 1067049041 IECSBQQSUDDBCQ-GXSJLCMTSA-N 323.378 -0.348 30 20 DBED C#CCCCC(=O)N[C@@H]1COC2(C1)CN(C(=O)c1cnon1)C2 1068836588 JNGIABFCKBZIIM-NSHDSACASA-N 318.333 -0.027 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1COC2(C1)CN(C(=O)c1cnccn1)C2 1069003160 KLHJKHCABCQXDC-WDEREUQCSA-N 315.333 -0.264 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1COC2(C1)CN(C(=O)c1cnnn1C)C2 1069004314 VKIVCVUNDHAICR-ZJUUUORDSA-N 318.337 -0.926 30 20 DBED C=CCOCC(=O)NC1(CNC(=O)c2cnn[nH]2)CCOCC1 1070038128 PRUVETMDADZLBA-UHFFFAOYSA-N 323.353 -0.598 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCC[C@@H](NC(=O)Cn2ncnn2)C1 1070673078 XEONUZMDBVTOMT-RISCZKNCSA-N 322.369 -0.893 30 20 DBED N#CCN1CCNC(=O)CCN(C(=O)Cn2cccn2)CC1 1070939373 HTVUGHNHNKUSKS-UHFFFAOYSA-N 304.354 -0.943 30 20 DBED C=CCOCC(=O)N[C@H]1CN(C(=O)CCn2cnnn2)C[C@@H]1C 1072599293 HZQLGSSVNGDQER-RYUDHWBXSA-N 322.369 -0.771 30 20 DBED C#CCOCCC(=O)N1CCC(C)(NC(=O)CC(=O)NC)CC1 1073024962 CRKHMDUAOIYZOB-UHFFFAOYSA-N 323.393 -0.340 30 20 DBED C#CCOCCC(=O)N1CCC(C)(NC(=O)CC(N)=O)CC1 1073025083 FAZSKQHQNCKWPJ-UHFFFAOYSA-N 309.366 -0.601 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(C(=O)c2nnn(C)n2)C[C@H]1C 1073819208 ATDNFZGRDZTULV-MNOVXSKESA-N 322.369 -0.621 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)c3cnnn3CC)C[C@H]21 1074236880 RTZAZHORDMNTHV-KGLIPLIRSA-N 303.366 -0.154 30 20 DBED C=CCOCC(=O)NCC1(O)CCN(C(=O)c2cnn[nH]2)CC1 1074637806 MXIYIIJSHATYPL-UHFFFAOYSA-N 323.353 -0.909 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(O)(CNC(=O)c2cnn[nH]2)CC1 1074706168 HGWGTGOQDVFZMG-VIFPVBQESA-N 306.326 -0.952 30 20 DBED C=CCOCC(=O)NCC[C@H](C)NC(=O)CCc1nc[nH]n1 1075918024 SKSNDGXDPPUFMO-NSHDSACASA-N 309.370 -0.049 30 20 DBED CNC(=O)CC(=O)NCC[C@H](C)NC(=O)c1cc(C#N)c[nH]1 1076254652 POCGBKPOKISBEA-VIFPVBQESA-N 305.338 -0.353 30 20 DBED C=CCN1CC[C@H](N2C[C@@H](O)[C@H](NC(=O)C(C)(C)F)C2)C1=O 1076677673 ZNVWEUMYDXCIGI-GRYCIOLGSA-N 313.373 -0.317 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3cccn3)nc2)C1 1077481835 IUFJURGNWQLOAX-ZIAGYGMSSA-N 311.345 -0.325 30 20 DBED Cn1c(O)nc2cc(C(=O)N[C@@H]3CN(CC#N)C[C@H]3O)ccc21 1078234373 VCDPZJPTSKGJCC-DGCLKSJQSA-N 315.333 -0.423 30 20 DBED N#CCN[C@H]1C[C@H](NC(=O)c2nccnc2C(N)=O)C12CCC2 1078804286 TYSWVQXJQPHTIP-UWVGGRQHSA-N 314.349 -0.270 30 20 DBED CC(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CCN(CC#N)CC1 1079163378 BEBOTXCODZXKQD-ZIAGYGMSSA-N 305.382 -0.011 30 20 DBED CCN(C(=O)CN1CCOCC1)C1CN(C(=O)[C@H](C)C#N)C1 1079631537 QBPQRYMKRBXALT-GFCCVEGCSA-N 308.382 -0.462 30 20 DBED C=C[C@](C)(O)CC(=O)N(CC)C1CN(C(=O)[C@@H]2CCNC2=O)C1 1079690122 PGSMWWUTUJVMQP-WBMJQRKESA-N 323.393 -0.491 30 20 DBED C#Cc1ccc(C(=O)N2C[C@H](O)[C@H](CNC(=O)C(F)F)C2)nc1 1081151840 DHLONLPXSVZTDZ-PWSUYJOCSA-N 323.299 -0.123 30 20 DBED CC1(C(=O)N2C[C@@H](O)[C@H](CNC(=O)CSCC#N)C2)CC1 1081290256 VGIREIBFDSVDDU-GHMZBOCLSA-N 311.407 -0.021 30 20 DBED N#CCSCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cn[nH]c2)C1 1081295381 PNILUZOFVOLJDD-MNOVXSKESA-N 323.378 -0.784 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2[nH]cnc2C)C[C@H]1O 1081341278 OQXPSSFUEWXDPW-VXGBXAGGSA-N 322.365 -0.530 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2cc(C)[nH]n2)C[C@H]1O 1081344493 QQTIVNYCPWNILL-DGCLKSJQSA-N 322.365 -0.530 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)CCCC(N)=O)C[C@H]1O 1081444355 HSRFXLGYADVQFE-CHWSQXEVSA-N 323.393 -0.619 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@@H]1O 1081466275 QWXICNBLSKVVSL-NEPJUHHUSA-N 323.393 -0.907 30 20 DBED C#CCCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1081671751 PRXYOYYITIBXGY-ZHMBSYLPSA-N 320.389 -0.382 30 20 DBED C=C1CC(C)(C(=O)NC[C@@H]2CN(C(=O)c3cnon3)C[C@@H]2O)C1 1081751991 CAMCFNRCUPYDMG-PWSUYJOCSA-N 320.349 -0.025 30 20 DBED CC#CCN1C[C@@H](NC(=O)Cn2nc(C)ccc2=O)[C@H](OC)C1 1082336904 PJAKIUFDLVEIKP-ZIAGYGMSSA-N 318.377 -0.610 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@@H]2CCCS2(=O)=O)[C@H](OC)C1 1082377157 FSGMIQFOFLJWHT-UTUOFQBUSA-N 300.380 -0.988 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CCOC)C2)C[C@H]1C 1082541945 RYJRIAUGWVNNIX-HZSPNIEDSA-N 307.394 -0.449 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2ccc(CCC(N)=O)cc2)C1 1083767415 CZOARMZWKVHVBR-CABCVRRESA-N 315.373 -0.487 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)c2ccc3ncn(C)c3n2)C1 1083775608 AKLZPOOTAVFPMA-OLZOCXBDSA-N 301.350 -0.071 30 20 DBED C=CCOc1cccnc1C(=O)N[C@@H]1CN(C[C@H](C)O)C[C@@H]1O 1083936467 PGCICSVNUWRLGE-XQQFMLRXSA-N 321.377 -0.198 30 20 DBED Cn1nnc(C(=O)N2C[C@H]3[C@H]4CC[C@@H]([C@H]3C2)N(CC#N)C4)n1 1087380231 QIHIMKJZYWMWPW-BJDJZHNGSA-N 301.354 -0.484 30 20 DBED C=CCN1CC[C@H](NC(=O)c2cc(=O)c(OC)c[nH]2)[C@H](O)C1 1090432158 ISOJDAWBEGEZKM-GXFFZTMASA-N 307.350 -0.266 30 20 DBED CC(=O)N[C@@H](C)C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1C 1090649169 IKOUZQSKDVDYMC-GBIKHYSHSA-N 316.365 -0.186 30 20 DBED C#CCOc1ncccc1C(=O)N[C@@H]1CCN(CC#C)C[C@H]1O 1090736235 HDCGDFLGWHXSTO-HUUCEWRRSA-N 313.357 -0.108 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)Cn2nc(C)n(C)c2=O)[C@H](O)C1 1090771079 NYLXYLDUDDHGCU-QWHCGFSZSA-N 323.397 -0.982 30 20 DBED C#CCOCCC(=O)N[C@H]1CCN(c2ncccn2)C[C@H]1O 1092164545 NIOAWZABZJOMNY-QWHCGFSZSA-N 304.350 -0.428 30 20 DBED N#Cc1nccnc1NC1CC(CNC(=O)Cn2nccn2)C1 1092243641 PBVCOQCYHOKWID-UHFFFAOYSA-N 312.337 -0.053 30 20 DBED CC(=O)N1CC[C@@H](C(=O)NCCNc2cncc(C#N)n2)C1 1093781902 ZREQDFFKJKIXKG-LLVKDONJSA-N 302.338 -0.255 30 20 DBED C#CCCN1CC(n2cc(CNC(=O)C3=COCCO3)nn2)C1 1094271097 NOTRBVWHBMBUDS-UHFFFAOYSA-N 317.349 -0.338 30 20 DBED C=CCN1CC(n2cc(CNC(=O)c3cnn(C)c3)nn2)C1 1094273014 INLBKMNXURMKGN-UHFFFAOYSA-N 301.354 -0.016 30 20 DBED Cc1cc(C(=O)NCc2cn(C3CN(CC#N)C3)nn2)n[nH]1 1094276138 KKDYWAMQJWTHIL-UHFFFAOYSA-N 300.326 -0.380 30 20 DBED C#CCN1CCN(C(=O)c2ccon2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094609678 GBRGROGMICTSLN-NWDGAFQWSA-N 309.347 -0.769 30 20 DBED N#CCN1CC(N2C[C@@H](NC(=O)c3cccc(O)n3)CC2=O)C1 1094725155 ZZVLVAJYIFEATK-JTQLQIEISA-N 315.333 -0.674 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](Nc2cc(C)ncn2)C1 1095035252 UKJFFARNOZFSQL-GFCCVEGCSA-N 301.350 -0.063 30 20 DBED CS(=O)(=O)CCC(=O)N1CC[C@@H](N=c2cc[nH]c(C#N)n2)C1 1095087344 PZYVIPCNNBHJHX-SNVBAGLBSA-N 323.378 -0.782 30 20 DBED CNC(=O)NCC(=O)N1CC[C@@H](N(C)c2cncc(C#N)n2)C1 1095156287 KNMIPGHMWFCDHQ-LLVKDONJSA-N 317.353 -0.686 30 20 DBED CN(C)C(=O)CC(=O)N1CC[C@H](N(C)c2ccnc(C#N)n2)C1 1095156621 MCNGYUMEDYLOPU-NSHDSACASA-N 316.365 -0.136 30 20 DBED C[C@H](NC(N)=O)C(=O)N1CCC[C@H](Nc2cnc(C#N)cn2)C1 1095290884 PEPFOOVRGKJKPR-UWVGGRQHSA-N 317.353 -0.192 30 20 DBED N#Cc1ccc(N2CC[C@@H](NC(=O)CCn3cncn3)C2)nn1 1096315077 GAHOUBAWZRZJDZ-GFCCVEGCSA-N 312.337 -0.275 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@H]1CCN(c2nccn3nnnc23)C1 1096359401 BYWYBPSAXUVYLX-IINYFYTJSA-N 317.353 -0.459 30 20 DBED C[C@H](NC(N)=O)C(=O)NC[C@H](Nc1nccnc1C#N)C1CC1 1096656002 LCJZXTPLATYFFR-KWQFWETISA-N 317.353 -0.288 30 20 DBED CCn1nc(C)c(C(=O)NC[C@@H](C)N=c2cc[nH]c(C#N)n2)n1 1097926469 AZVBZJDPRPAKGM-SECBINFHSA-N 314.353 -0.080 30 20 DBED C[C@@H](CNC(=O)CCc1cn(C)nn1)N=c1cc[nH]c(C#N)n1 1097933819 XVDLFUWCUWWWNV-JTQLQIEISA-N 314.353 -0.552 30 20 DBED C#CCN(CCO)C1CCN(C(=O)CN(C)C(=O)C2CC2)CC1 1098384355 RWJITAIQLSLDCA-UHFFFAOYSA-N 321.421 -0.227 30 20 DBED CC(=O)NCC(=O)N1CC[C@H](CN=c2cc[nH]cc2C#N)C1 1098495862 DFXRGQRSVMUVDV-GFCCVEGCSA-N 301.350 -0.228 30 20 DBED CCC(=O)NCC(=O)N1CC[C@@H](n2cc(CNCC#N)nn2)C1 1098644986 HGORRJCMKZQCBE-GFCCVEGCSA-N 319.369 -0.809 30 20 DBED C=CCNCc1cn(-c2cccc(CNC(=O)C(N)=O)c2)nn1 1099605423 XKYGUNYADPCHBN-UHFFFAOYSA-N 314.349 -0.356 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2cncs2)[C@H](O)C1 1099697754 DEEMTISHSYYBPT-VXGBXAGGSA-N 309.391 -0.042 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)Cc2ccon2)[C@@H](O)C1 1099743066 DKQPZRMCKYDZEL-KBPBESRZSA-N 309.366 -0.029 30 20 DBED C=CCCN1CC[C@@H](NC(=O)CNC(=O)N2CCCC2)[C@@H](O)C1 1099833225 SPZCATHBBMUCTM-KGLIPLIRSA-N 324.425 -0.081 30 20 DBED C=CCCCC(=O)N[C@@H]1CCN(CC(=O)NC(N)=O)C[C@H]1O 1099973821 JQHAFLARNYIUGD-GHMZBOCLSA-N 312.370 -0.911 30 20 DBED Cc1nc(N(C)CCNC(=O)[C@H](C)NC(N)=O)ccc1C#N 1100025824 XRTBRYFADSTYBO-JTQLQIEISA-N 304.354 -0.129 30 20 DBED C#CCN1CC[C@@H](NC(=O)COC2CCN(C)CC2)[C@@H](O)C1 1100056060 NTTCYDIYQTVQLQ-CABCVRRESA-N 309.410 -0.718 30 20 DBED CCN(CCNC(=O)[C@H]1COCCO1)c1cnc(C#N)cn1 1100479492 BACRHERXIKSODQ-GFCCVEGCSA-N 305.338 -0.294 30 20 DBED CCN(CCNC(=O)Cn1ncnn1)c1ncccc1C#N 1100624979 KYUODLFVZOYGCO-UHFFFAOYSA-N 300.326 -0.418 30 20 DBED CC[C@@H](C(=O)NCC1CC(NCC(=O)NCC#N)C1)N(C)C 1100683591 JHNYLSXCOSNWFP-BPCQOVAHSA-N 309.414 -0.549 30 20 DBED CC(=O)NCC(=O)NC[C@@H]1CCCN1c1cncc(C#N)n1 1100770112 LJKIBEJILJCLNH-LBPRGKRZSA-N 302.338 -0.431 30 20 DBED CCCN(CCNC(=O)[C@@H]1CNC(=O)N1)c1cncc(C#N)n1 1101236335 UIJARRKHWWEXLO-NSHDSACASA-N 317.353 -0.638 30 20 DBED CN(CCNc1nccnc1C#N)C(=O)[C@]1(C)CCNC1=O 1101959103 FKMIWZARYPRYCH-CQSZACIVSA-N 302.338 -0.255 30 20 DBED COCC#CCN1C[C@@H](C)[C@H](CNC(=O)[C@H]2CCC(=O)NC2)C1 1102112925 MWEYBTOVKZXOGQ-QLFBSQMISA-N 321.421 -0.154 30 20 DBED COCC#CCN1C[C@@H](C)[C@H](CNC(=O)c2cnn(C)n2)C1 1102462981 SNEIPNNZCJKURX-CHWSQXEVSA-N 305.382 -0.237 30 20 DBED CC[C@H](CNC(=O)[C@@H](COC)OC)N=c1cc[nH]c(C#N)n1 1103302727 SCCAOYIPKPBLOR-GHMZBOCLSA-N 307.354 -0.262 30 20 DBED C[C@@H](CNC(=O)[C@@H]1COCCN1C)CNc1nccnc1C#N 1103923486 YXAIPXHXANGOIA-YPMHNXCESA-N 318.381 -0.157 30 20 DBED C#CCNCC[C@@H]1CN(C(=O)CCNS(C)(=O)=O)C[C@H]1C 1104257952 KRVICLCJNRTTGW-CHWSQXEVSA-N 315.439 -0.367 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(c2ccc3nnnn3n2)CCO1 1104311768 KUTQEHMJSVLXIH-LLVKDONJSA-N 317.353 -0.193 30 20 DBED C[C@@H](CNc1nccnc1C#N)N(C)C(=O)[C@H]1CCC(=O)N1 1104495927 DQZXIJXIIYAZDQ-VHSXEESVSA-N 302.338 -0.114 30 20 DBED CN(C)C(=O)CC(=O)N(C)CCN(C)c1nccnc1C#N 1105575527 GLXYWHOIDNLPEA-UHFFFAOYSA-N 304.354 -0.279 30 20 DBED Cc1cc(=NC[C@H](O)CNC(=O)c2ncn(C)n2)c(C#N)c[nH]1 1105816010 OWXPVXJMZNAOOC-NSHDSACASA-N 315.337 -0.985 30 20 DBED COCc1cc(NC[C@H](O)CNC(=O)C#CC2CC2)ncn1 1105826153 ZNEHAYCCNJOBLV-ZDUSSCGKSA-N 304.350 -0.075 30 20 DBED CN1CC[C@@H](C(=O)NC[C@H](O)CNc2nccnc2C#N)C1 1105852896 BTFOCPNZVFLWMK-GHMZBOCLSA-N 304.354 -0.811 30 20 DBED CCn1cnc(C(=O)NC[C@@H](O)CN=c2cc[nH]cc2C#N)c1 1105916246 JHOZWTJJJNQHIA-LBPRGKRZSA-N 314.349 -0.206 30 20 DBED COC1CC(C(=O)NC[C@H](O)CN=c2cc(C)[nH]cc2C#N)C1 1105997162 KBCBYEZDQCVCCX-HRDQMINSSA-N 318.377 -0.002 30 20 DBED C[C@@H](CC(N)=O)C(=O)NC[C@H](O)CNc1ccc(C#N)nc1 1106059951 MDKBHSCOKAXKBD-JOYOIKCWSA-N 305.338 -0.646 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)C[C@@H]1COC(=O)C1 1106725028 KSAKWSQOECXQRJ-NSHDSACASA-N 317.349 -0.016 30 20 DBED CCN(CCNc1ncccc1C#N)C(=O)[C@H]1CNC(=O)N1 1106928248 IEGKVSMKAMCGOY-LLVKDONJSA-N 302.338 -0.105 30 20 DBED C[C@H](CNc1ccc(C#N)cn1)NC(=O)Cn1c(O)nnc1O 1107875055 TWKCFJNLYBVPMM-MRVPVSSYSA-N 317.309 -0.427 30 20 DBED C=C(C)CCN1CCO[C@](C)(CNC(=O)Cn2ncnn2)C1 1107945322 DGHJIGDRDWYHAA-CQSZACIVSA-N 308.386 -0.154 30 20 DBED C[C@H](CNc1ccc(C#N)cn1)NC(=O)C1CS(=O)(=O)C1 1107952262 YTJPESJZEGIPFX-SECBINFHSA-N 308.363 -0.086 30 20 DBED CC#CCN1CC(N2C[C@H](NC(=O)COCC3CC3)CC2=O)C1 1108513182 CDDIATDDDXMPTD-CQSZACIVSA-N 319.405 -0.162 30 20 DBED C=CCCO[C@H](C)C(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1 1108518024 RCOARLQLLCCDFB-CHWSQXEVSA-N 320.393 -0.108 30 20 DBED C[C@H](CN(C)c1ccc2nnnn2n1)NC(=O)CSCC#N 1108868593 DAYILTFIBOGATC-SECBINFHSA-N 320.382 -0.283 30 20 DBED COC[C@@H](OC)C(=O)N[C@H](C)CN(C)c1ccnc(C#N)n1 1109219188 GDHJMETYWCWRQU-GHMZBOCLSA-N 307.354 -0.049 30 20 DBED N#Cc1ccc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)CNC(N)=O)cn1 1109680117 WIMIVQLXMVFBEI-YDEJPDAXSA-N 300.322 -0.685 30 20 DBED CC(=O)N(C)CC(=O)N[C@H](CN=c1cc[nH]c(C#N)n1)C1CC1 1109762788 ARMZXVRAQXYMHS-GFCCVEGCSA-N 316.365 -0.445 30 20 DBED COCCC(=O)NC[C@@]1(O)CCN(c2nc(C)cc(C#N)n2)C1 1111015434 GEHQSUANWLNPGQ-HNNXBMFYSA-N 319.365 -0.249 30 20 DBED CNS(=O)(=O)CCC(=O)N[C@]12CCC[C@H]1CN(CC#N)C2 1111745161 KDFIXLHLVLQXAR-AAEUAGOBSA-N 314.411 -0.580 30 20 DBED CN(CCCN(C)c1ccnc(C#N)n1)C(=O)Cn1cnnn1 1112040493 MLNYTZZUEICFMI-UHFFFAOYSA-N 315.341 -0.680 30 20 DBED CN(CCCN(C)c1nccnc1C#N)C(=O)[C@@H]1CNC(=O)N1 1112168355 JUTNNPNHZSXTPC-NSHDSACASA-N 317.353 -0.686 30 20 DBED C[C@H]1CN(c2ccc(C#N)cn2)CC[C@@H]1NC(=O)CNC(N)=O 1112392939 NQWQKRAFTJIYIH-JQWIXIFHSA-N 316.365 -0.047 30 20 DBED C=CCOCCCC(=O)N1CCN(CC(=O)NC(N)=O)CC1 1112755265 ARXQSEKOHPRXCY-UHFFFAOYSA-N 312.370 -0.692 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)C[C@@H]2CCCCO2)CC1 1112761780 LDVNXFHRCYUPSQ-ZDUSSCGKSA-N 308.382 -0.270 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)CCCC(=O)NC)CC1 1112780495 DZANFUYVDADZAN-ZDUSSCGKSA-N 322.409 -0.815 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)[C@H]2OCC[C@H]2C)CC1 1113357722 QOIFVOIHEIOKOM-RDBSUJKOSA-N 307.394 -0.307 30 20 DBED C[C@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)N(C)c1ccc(C#N)cn1 1113802136 IGYCYGVFPYCMJL-PWSUYJOCSA-N 316.365 -0.082 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3cc[n+]([O-])cc3)[C@H]2C1 1113805188 ADUXIVOKWFQXCY-NHAGDIPZSA-N 316.361 -0.718 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)[C@H](C)OCC3CC3)[C@@H]2C1 1113988070 PHUOMKPYVMEMHC-IACUBPJLSA-N 319.405 -0.403 30 20 DBED C=C[C@](C)(O)CC(=O)NC1[C@@H]2CN(CCn3cncn3)C[C@@H]12 1114193748 HBHSTHRJCZTIDU-JMSVASOKSA-N 305.382 -0.348 30 20 DBED C#CCOCCC(=O)NC1[C@@H]2CN(Cc3nc(C)no3)C[C@@H]12 1114265709 HNTQDILIPHAZNO-VXGBXAGGSA-N 304.350 -0.036 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1[C@@H]2CN(C[C@H](O)COC)C[C@@H]21 1114420238 FLOJEAHAICOOLA-ARKGTOAJSA-N 321.421 -0.862 30 20 DBED C=CCCCN1C[C@@H]2C(NC(=O)Cn3ncn(C)c3=O)[C@H]2C1 1114494164 UHSWRAIEKWJKDJ-RYUDHWBXSA-N 305.382 -0.406 30 20 DBED CC(=O)NCC(=O)NCC1[C@H]2CN(c3ccc(C#N)nc3)C[C@H]12 1114503019 FMDLGKZQEAHOBV-HUUCEWRRSA-N 313.361 -0.112 30 20 DBED C[C@H]1C[C@H](CN=c2cc[nH]cc2C#N)CN1C(=O)CNC(N)=O 1114663211 GSMZEANMBPYSDF-WDEREUQCSA-N 316.365 -0.308 30 20 DBED N#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)CCc3cn[nH]c3)[C@H]2C1 1114948846 GGDDGLMOPUWYPL-JYAVWHMHSA-N 316.365 -0.972 30 20 DBED C[C@]1(C(=O)NC2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]23)CCOC1 1115015638 IIXBYSRXWUFVMI-HFAKWTLXSA-N 306.366 -0.901 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)[C@]3(C)CCCOC3)[C@@H]2C1 1115022676 GBYYSIDNZGFTKY-PBFPGSCMSA-N 319.405 -0.401 30 20 DBED C[C@@H](CN(C)C(=O)CNC(=O)C1CC1)N=c1cc[nH]c(C#N)n1 1115618407 ZONQKRJFOPPCEK-JTQLQIEISA-N 316.365 -0.445 30 20 DBED C[C@H](CN(C)C(=O)[C@@H]1CN(C)CCO1)N=c1cc[nH]cc1C#N 1115664298 MRXBMLVXPKHJRV-DOMZBBRYSA-N 317.393 -0.035 30 20 DBED C=CCCN(C)C(=O)C(=O)NCC(C)(C)NS(C)(=O)=O 1117310685 AKTUYLWHXQWTNR-UHFFFAOYSA-N 305.400 -0.535 30 20 DBED C=CC[C@H](CC)NC(=O)C(=O)NCC1CN(S(C)(=O)=O)C1 1117394191 SRRXESFFFXYANU-NSHDSACASA-N 317.411 -0.535 30 20 DBED Cc1cc(C(=O)NC[C@H](CO)Nc2cncc(C#N)n2)n[nH]1 1121119750 JHKVJWWCYVZFMU-SNVBAGLBSA-N 301.310 -0.417 30 20 DBED CCCC(=O)NCC(=O)NC[C@H](CO)Nc1cncc(C#N)n1 1121160393 ZDBLGJXAXZSZGD-LLVKDONJSA-N 320.353 -0.846 30 20 DBED Cc1ocnc1C(=O)NC[C@@H](CO)Nc1nccnc1C#N 1121166160 WWSKDFMPWCNIJN-VIFPVBQESA-N 302.294 -0.153 30 20 DBED Cc1noc2ncnc(N[C@@H](CO)CNC(=O)[C@@H](C)C#N)c12 1121213222 OEZRBGCKIZPNCZ-IONNQARKSA-N 304.310 -0.025 30 20 DBED CNC(=O)CCCC(=O)NC[C@H](CO)Nc1nccnc1C#N 1121464745 NRTINVVMZZTOOR-SNVBAGLBSA-N 320.353 -0.846 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)[C@H]2CCC(=O)NC2)cn1 1122830703 VOLLXTHIXZAVOW-GXFFZTMASA-N 317.349 -0.632 30 20 DBED N#Cc1cc(CNCCNC(=O)Cn2cnnn2)ccc1F 1123306793 YNYUBGYREBXWJM-UHFFFAOYSA-N 303.301 -0.410 30 20 DBED CN(C[C@H](O)CNc1cnc(C#N)cn1)C(=O)C1=CCOCC1 1124257071 PPUOUHWODOGMPC-CYBMUJFWSA-N 317.349 -0.074 30 20 DBED Cc1nc[nH]c1C(=O)N(C)C[C@H](O)CN=c1cc[nH]cc1C#N 1124399155 KFEVDPKEOKKMNP-GFCCVEGCSA-N 314.349 -0.048 30 20 DBED C#CCOCCC(=O)N(C)C[C@@H](O)CNc1cnc(F)cn1 1124520562 VCCMQMQUSSMOGZ-NSHDSACASA-N 310.329 -0.113 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)c1ccncc1C 1126787590 HWQUJRGAIHTCKR-UHFFFAOYSA-N 319.365 -0.279 30 20 DBED C#CCCN1CCn2ncc(CNC(=O)Cc3nc[nH]n3)c2C1 1128544576 QOLIOJORWDJCMV-UHFFFAOYSA-N 313.365 -0.301 30 20 DBED CC(C)(C)C(=O)C(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1 1128838530 IHYGRYIANFCRIW-MNOVXSKESA-N 304.354 -0.242 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)C[C@@H]1CCC(=O)NC1 1129270048 SNTWUBZOKDGGFV-NEPJUHHUSA-N 310.398 -0.701 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 1129900200 AKCMHRLOVDCPFJ-IJLUTSLNSA-N 305.382 -0.090 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@H]2C[C@@H]3CN(CCCO)C[C@]2(C1)O3 1131231401 ZPNZEHJYXSDILB-KCYZZUKISA-N 322.405 -0.291 30 20 DBED C=CCCOCC(=O)N1C[C@H]2C[C@@H]3CN(CCO)C[C@]2(C1)O3 1131294848 SMNBYBDCEVHUSB-IIAWOOMASA-N 310.394 -0.127 30 20 DBED Cc1nc(C(=O)NCCNCC(=O)NCC#N)c2ccccn12 1131299138 MFDPQPQXXHRBHV-UHFFFAOYSA-N 314.349 -0.398 30 20 DBED C#CCCN1CCNC(=O)CCN(C(=O)[C@@H](C)OCC#C)CC1 1131364861 ZVXAGSDGKBMSDI-OAHLLOKOSA-N 319.405 -0.302 30 20 DBED CCOc1nccc(C)c1C(=O)NCCNCC(=O)NCC#N 1131754825 PVUJOPXFZCASTH-UHFFFAOYSA-N 319.365 -0.252 30 20 DBED C=CCOCCNCCNC(=O)[C@H](CCC)S(N)(=O)=O 1131777396 KJRNRLKGNFZTLH-NSHDSACASA-N 307.416 -0.648 30 20 DBED C#CCN1C[C@@H](NC(=O)COCc2nncn2C)CC[C@H]1C 1132392957 TWOQWKKGCGWDLA-OLZOCXBDSA-N 305.382 -0.066 30 20 DBED CCN(C)CCC(=O)N[C@H]1CC[C@H](C)N(CC(=O)NCC#N)C1 1132409722 DCJVWXCAWUBPSL-KBPBESRZSA-N 323.441 -0.063 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)COCC)CC[C@H]1C 1132614211 RXNQQXVBWQOUHL-ZIAGYGMSSA-N 309.410 -0.154 30 20 DBED C[C@H]1CCN(C(=O)c2cc(=O)n(C)cn2)C[C@H]1CNCC#N 1132900824 IIKRYZHUKFAJRV-NWDGAFQWSA-N 303.366 -0.008 30 20 DBED C=C(C)CN[C@H](C)C[C@H](C)NC(=O)Cn1cnc(C(N)=O)n1 1134401780 WNEKYCLMWDNBAP-MNOVXSKESA-N 308.386 -0.174 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)c1csnn1 1135101784 RCNHQSNDWAUEJA-NXEZZACHSA-N 309.395 -0.226 30 20 DBED C[C@@H](C[C@H](C)NC(=O)CCCN(C)C)NCC(=O)NCC#N 1135317550 ZBEILTTZLMTHEY-STQMWFEESA-N 311.430 -0.159 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)c1ccc(=O)n(CC)n1 1135486134 YHZJHQJSRPVZQK-LLVKDONJSA-N 321.381 -0.727 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)CN1C(=O)NC(=O)C1(C)C)NCC#N 1135882814 UHBGLFSNVKDHKS-VHSXEESVSA-N 309.370 -0.287 30 20 DBED C#CCCN[C@H](C)C[C@H](C)NC(=O)CN1CC(=O)N(C)C1=O 1135920517 VTAUZOUSZJQVMF-NEPJUHHUSA-N 308.382 -0.223 30 20 DBED C[C@H]1CCc2onc(C(=O)NCCNCC(=O)NCC#N)c2C1 1146326659 NERFSFQPXHVHQD-JTQLQIEISA-N 319.365 -0.241 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)c1c[nH]c(C)cc1=O 1146560852 JUSPQMPFZHBXIX-LLVKDONJSA-N 306.366 -0.307 30 20 DBED Cc1ncoc1C(=O)N1CC2(CCN(CC(=O)NCC#N)C2)C1 1147288792 VGUNNVHWTDUPLW-UHFFFAOYSA-N 317.349 -0.229 30 20 DBED C=CCOCCN1CCC2(C1)CN(C(=O)Cn1cnnc1O)C2 1147355158 QLGKIPBPNDMRGI-UHFFFAOYSA-N 321.381 -0.279 30 20 DBED C=C(C)CCN1CCCO[C@H](CNC(=O)Cn2cnnn2)C1 1149144449 QLKBQELDSVHDMS-CYBMUJFWSA-N 308.386 -0.154 30 20 DBED C=CCOCCN1CCCO[C@@H](CNC(=O)c2nnn(C)n2)C1 1150090100 BEPORFQBBBRJJV-LBPRGKRZSA-N 324.385 -0.767 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)CCCS(C)(=O)=O)C1 1150445731 XTNPEXKNQPDAEQ-ZDUSSCGKSA-N 316.423 -0.349 30 20 DBED C=CCN1CCCO[C@H](CNC(=O)CS(=O)(=O)CC)C1 1150771341 JMIFTKZQKKHJOK-GFCCVEGCSA-N 304.412 -0.186 30 20 DBED CO[C@@H](Cc1ccccc1)C(=O)NCCNCC(=O)NCC#N 1151606901 RGUOGSJFFURGFA-AWEZNQCLSA-N 318.377 -0.410 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)CCn1ccnn1 1153030273 BXQGYCIMLAUZGA-GFCCVEGCSA-N 321.385 -0.865 30 20 DBED C=CCNC(=O)NC(=O)CNCCCNC(=O)c1ocnc1C 1156228395 VJSGUPRCWBHFTN-UHFFFAOYSA-N 323.353 -0.296 30 20 DBED C=CCNC(=O)NC(=O)CNCCCNC(=O)[C@H](O)C(C)C 1157402627 MYPXJSKXZWYNOU-GFCCVEGCSA-N 314.386 -0.889 30 20 DBED C#CCO[C@H](C)C(=O)NCCCNCc1nnc2n1CCOC2 1157870211 YQOZPKKSCAOETP-GFCCVEGCSA-N 321.381 -0.558 30 20 DBED COCC#CCNCCCNC(=O)c1ccc2nn[nH]c2n1 1159429093 WZDUTLZUHQFXCB-UHFFFAOYSA-N 302.338 -0.288 30 20 DBED C#CCNC(=O)CNCCCNC(=O)CC[C@H]1CCCN1C 1160274431 SFYAIJCESBNWHH-CQSZACIVSA-N 308.426 -0.294 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)C[C@@H]1CCN(C)C1=O 1160592245 OHNRNNAXJBERLO-STQMWFEESA-N 322.409 -0.911 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)[C@H]1CCC(=O)NC1 1161638129 MVJOZTXAULGSSU-NEPJUHHUSA-N 310.398 -0.701 30 20 DBED CCN(CCC#N)C(=O)CNCCCNC(=O)[C@@H]1[C@H]2COC[C@H]21 1164268860 SAIGORYUVYKGFV-NHAGDIPZSA-N 322.409 -0.263 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)CN1CC[C@H](C)C1 1166677775 MWFXIAKJIGLPBM-KBPBESRZSA-N 308.426 -0.438 30 20 DBED C#CCCNCCCNC(=O)CS(=O)(=O)N(CC)CC 1167510560 YAFLGYYFHXOGOF-UHFFFAOYSA-N 303.428 -0.223 30 20 DBED C=C(Cl)CNCCCNC(=O)CN1C(=O)C(=O)N(C)C1=O 1167567718 KJJXNNPTYWHENS-UHFFFAOYSA-N 316.745 -0.745 30 20 DBED C[C@H](Cc1cnn(C)c1)C(=O)NCCCNCC(=O)NCC#N 1169594948 UCDLBTDMGUZPKI-GFCCVEGCSA-N 320.397 -0.666 30 20 DBED C=CCCC(=O)N1CC[C@H]2OCCN(CC(=O)NCC#N)[C@@H]2C1 1176949797 SZGJLBQPYXETTJ-ZIAGYGMSSA-N 320.393 -0.106 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@@H](NCC(=O)NC3CC3)C2)c1 1181879570 UCUJNUSITBTPJT-GFCCVEGCSA-N 301.350 -0.031 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@@H](NCC(=O)NCC(C)C)C1 1182505441 YOIKZHDHSFMVAM-UONOGXRCSA-N 309.410 -0.013 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2cncnc2O)C1 1183521659 PHZOGGRGHCQYMX-GHMZBOCLSA-N 319.365 -0.323 30 20 DBED CCc1onc(C)c1C(=O)N1CC[C@@H](NCC(=O)NCC#N)C1 1187728291 HKMMOCYEJNLMJZ-LLVKDONJSA-N 319.365 -0.011 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CCCN2C(N)=O)C1 1188405048 AYRIOOHCTZFJLO-NEPJUHHUSA-N 323.397 -0.978 30 20 DBED CN(CC(=O)NCC#N)[C@@H]1CCN(C(=O)Cn2cccn2)C1 1188870965 WMHJTBGNDRUFGW-GFCCVEGCSA-N 304.354 -0.944 30 20 DBED Cc1ocnc1C(=O)N1CC[C@H](N(C)CC(=O)NCC#N)C1 1189152279 VYMPLOUQSYCGSB-NSHDSACASA-N 305.338 -0.231 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@@H]1CCN(C(=O)c2nc[nH]n2)C1 1192933444 IJCQIYFBLCDMPI-GHMZBOCLSA-N 304.354 -0.911 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)c2cncnc2O)C1 1194014903 AYPGYNUNLKSOSL-VXGBXAGGSA-N 308.338 -0.840 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC(N[C@H]2CCC(=O)NC2=O)CC1 1200532758 XSCBRJHNECDQRS-YPMHNXCESA-N 321.377 -0.590 30 20 DBED CN1CCC(OCC(=O)N2CCCO[C@@H](CNCC#N)C2)CC1 1201726229 JSGGUHADAYDPPA-HNNXBMFYSA-N 324.425 -0.172 30 20 DBED N#CCNC(=O)CN[C@H]1C[C@H](NC(=O)c2cn[nH]c2)C12CCC2 1202492312 YTNRDBZSVHWCCS-RYUDHWBXSA-N 316.365 -0.320 30 20 DBED CNC(=O)NC(=O)[C@H](C)NCC1CCN(C(=O)[C@H](C)C#N)CC1 1204811845 RJLUTJZWJZOXTA-MNOVXSKESA-N 323.397 -0.182 30 20 DBED CNS(=O)(=O)CC(=O)N1C[C@H]2CC[C@H]1[C@H](NCC#N)C2 1204987630 JPQFHWQABCUKRS-AXFHLTTASA-N 300.384 -0.972 30 20 DBED C#CCNCC1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)CC1 1206871332 HKQLPULUSXDPQM-UHFFFAOYSA-N 314.349 -0.507 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCCN(C(=O)CCOCC#C)C1 1208029064 NSIXADBHYBHWBP-LSDHHAIUSA-N 319.405 -0.255 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)C1(CN(C)C)CC1 1208425723 UWSGEQGKRICGHL-CHWSQXEVSA-N 321.425 -0.596 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2ncnn2C)C[C@H]1OC 1213961467 DZWIQOWIPCWCNM-JHJVBQTASA-N 323.397 -0.278 30 20 DBED C=CCCC(=O)N[C@@H]1CN(Cc2nc(CCOC)no2)C[C@@H]1O 1219333043 OADXQUWFSWHGMR-NEPJUHHUSA-N 324.381 -0.114 30 20 DBED C#CCC1(C(=O)N[C@@H]2CN(Cc3cnnn3C)C[C@@H]2O)CCC1 1219783902 JSCZSEILUWRAEO-KGLIPLIRSA-N 317.393 -0.330 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)COCc2cc(C)no2)C1 1219866230 YMFJWJPXDFTYFI-KGLIPLIRSA-N 307.350 -0.316 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](NC(=O)CCc2cnn(C)n2)C1 1220374187 WQUFPBZZVHFUPM-KGLIPLIRSA-N 307.398 -0.125 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)[C@@H]2CC(=O)N(C)C2)CC1 1227617942 AEPMHYQRKMWOOX-GFCCVEGCSA-N 322.409 -0.653 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)CCCCC(N)=O)CC1 1229945048 XSAKBNKOFQJCNW-UHFFFAOYSA-N 324.425 -0.085 30 20 DBED CNC(=O)CCCC(=O)N(C)C[C@@H]1CCN1CC(=O)NCC#N 1233836373 CVGLJFGIEQTIIX-LBPRGKRZSA-N 323.397 -0.925 30 20 DBED C=C(CC)CNC(=O)C(=O)Nc1ccc(=O)n(CC(N)=O)c1 1261513319 QQOUIRNZUUVYAK-UHFFFAOYSA-N 306.322 -0.646 30 20 DBED CN(C)c1ncncc1NC(=O)C(=O)N1CCO[C@@H](C#N)C1 1320181089 NFJDOZQXWSBYDW-VIFPVBQESA-N 304.310 -0.768 30 20 DBED C=CCNC(=O)CNC(=O)C(=O)Nc1cnn(C(F)F)c1 1320567963 BDJIKFKRURBBDR-UHFFFAOYSA-N 301.253 -0.365 30 20 DBED C=CCNC(=O)COC(=O)[C@H](C)S(=O)(=O)C1CCOCC1 1322668920 XCFZWPDLYSYQJA-JTQLQIEISA-N 319.379 -0.186 30 20 DBED CC[C@H](C)NC(=O)CCNC(=O)C(=O)Nc1cnn(CC#N)c1 1322801193 LASAVEAYFKRQLX-JTQLQIEISA-N 320.353 -0.234 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CCC(O)(C(F)F)CC1 1323821672 FZFHDANGNLVCKB-SECBINFHSA-N 306.309 -0.078 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N(CC)CCS(C)(=O)=O 1323825053 XPKNXEZOFTWCHQ-JTQLQIEISA-N 306.384 -0.803 30 20 DBED CCS(=O)(=O)C[C@@H](C)NC(=O)C(=O)NCCCCC#N 1324636403 WHKFWLALUCKCFB-SNVBAGLBSA-N 303.384 -0.264 30 20 DBED C=CCn1cc(CNC(=O)NC[C@@H](C)S(C)(=O)=O)nn1 1325894072 AIYBVTVKVUKAJB-SECBINFHSA-N 301.372 -0.304 30 20 DBED CCONC(=O)CNC(=O)C(=O)NCc1cccc(C#N)c1 1326669156 WAKRCDYWPYPFGA-UHFFFAOYSA-N 304.306 -0.642 30 20 DBED C=CCOCCNC(=O)C(=O)N(C)[C@H](C)CS(C)(=O)=O 1327052579 JKMHQEDSWSGWBH-SNVBAGLBSA-N 306.384 -0.803 30 20 DBED C#CCNC(=O)C1CCN(C(=O)C(=O)N[C@H](C)C[C@@H](C)N)CC1 1329470711 SGOFEFRHYAZPCC-VXGBXAGGSA-N 322.409 -0.784 30 20 DBED C[C@H](N)CCNC(=O)C(=O)NCCNc1ncccc1C#N 1331951506 ZWURWPRGMCJJFQ-JTQLQIEISA-N 304.354 -0.665 30 20 DBED C#Cc1ccc(NC(=O)C(=O)N(CCO)CCOCCO)cc1 1336806124 MULPJJXLBPZRGF-UHFFFAOYSA-N 320.345 -0.564 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N1CC[C@H](C2OCCO2)C1 1345558410 REUKCAIHTXUBHB-LBPRGKRZSA-N 312.366 -0.131 30 20 DBED C#CCN1CCN(c2nnc(C[C@@H](C)O)n2CCOC)CC1 1355413970 CYOZAVUSEUQARQ-CYBMUJFWSA-N 307.398 -0.397 30 20 DBED CN(CCS(N)(=O)=O)C(=O)Cc1cccc(OCC#N)c1 1363314120 ZACBBVNFAYKABS-UHFFFAOYSA-N 311.363 -0.122 30 20 DBED C[C@@H](C(=O)NC[C@@H](C)NC(=O)c1cc(C#N)c[nH]1)n1cncn1 1376830221 GKIKDGYVVZWTII-ZJUUUORDSA-N 315.337 -0.026 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CC(=O)NC(=O)NC1CC1)C1CC1 1377518509 MGRCFFFBVDOAQE-JTQLQIEISA-N 321.381 -0.285 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](C)NC(=O)Cc1nnn(C(C)(C)C)n1 1386456409 KHDASKKRUDOOQV-VHSXEESVSA-N 321.385 -0.249 30 20 DBED C=C(Cl)CNC[C@@H](O)CN(C)C(=O)CCn1cnnn1 1394757708 XMFAMGMFYNLRQY-SNVBAGLBSA-N 302.766 -0.775 30 20 DBED CN(CCN(C)C(=O)c1cc(C#N)c[nH]1)C(=O)Cc1nc[nH]n1 1399693174 NCXWGFOVIOPDDU-UHFFFAOYSA-N 315.337 -0.222 30 20 DBED C[C@H](C#N)C(=O)N(C)CCN(C)C(=O)[C@H]1CCN(C)C(=O)C1 1399724932 GOQZVAYMPFBBCL-NEPJUHHUSA-N 308.382 -0.069 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1c(Cl)cnn1C 1399839165 KUPZNQXFHONAOF-SFYZADRCSA-N 313.745 -0.560 30 20 DBED CCc1noc(COCC(=O)NC[C@H](C)NC(=O)[C@@H](C)C#N)n1 1410456008 YSDYMRUUZRHEEJ-UWVGGRQHSA-N 323.353 -0.071 30 20 DBED N#Cc1cn(CC(=O)NCCN2CCCCC2)c(=O)nc1O 1411647634 UVWCIWUCYPCRPZ-UHFFFAOYSA-N 305.338 -0.577 30 20 DBED N#Cc1cn(CCC(=O)NCC2(O)CCCC2)c(=O)nc1O 1411796035 NTRGVPLMFFSRIE-UHFFFAOYSA-N 306.322 -0.368 30 20 DBED Cc1cnc(C(=O)N(C)C[C@@H](O)CNC(=O)[C@H](C)C#N)cn1 1413207595 PVQIBLQLHAXCLW-KOLCDFICSA-N 305.338 -0.506 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)CN2CCCCC2=O)C1 1414973324 HCVPHVKENOUMOV-IJLUTSLNSA-N 306.366 -0.078 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@]1(C)CCN(C(=O)CCn2cnnn2)C1 1417393912 YJZDVKCBKCURCO-SMDDNHRTSA-N 319.369 -0.422 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1C[C@H](NCC(=O)NC[C@@H]2CCCO2)C1 1417781781 NQNPGAQBSXZSJJ-SYQHCUMBSA-N 322.409 -0.074 30 20 DBED C[C@@H]1CO[C@H](CO)CN1Cc1cc(O)n2ncc(C#N)c2n1 1421590610 NKORNDMFXXDANC-SKDRFNHKSA-N 303.322 -0.112 30 20 DBED COC(=O)[C@@](C)(CO)NS(=O)(=O)c1ccccc1CC#N 1424198868 SIMGQMWCWKKYOB-CYBMUJFWSA-N 312.347 -0.045 30 20 DBED CCN(CCNC(=O)c1cc(C#N)c[nH]1)C(=O)CN(C)C(C)=O 1429552186 YGSZVHBGLRVGFT-UHFFFAOYSA-N 319.365 -0.057 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)c2cc3n(n2)CCO3)CC1 1432198984 FLNLRSIFGNDRKQ-VIFPVBQESA-N 303.322 -0.186 30 20 DBED CCc1nc(C#N)cc(NCCc2nnc3n2CCNC3=O)n1 1434450138 DYLUYUMBHCUYRF-UHFFFAOYSA-N 312.337 -0.100 30 20 DBED C=C(Cl)CNC[C@@H](O)CNC(=O)[C@H]1CC(=O)N(CC)C1 1445206866 QQCIDDVCFQCHQK-WDEREUQCSA-N 303.790 -0.326 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@@H](O)CNC(=O)[C@@H]2CCCCO2)c1 1452336800 UABZZNFHKROGEA-YPMHNXCESA-N 320.349 -0.338 30 20 DBED C[C@@H](C#N)C(=O)NCC1CCN(C(=O)Cc2nc[nH]n2)CC1 1453842253 RRVNZSWDZFCUMO-JTQLQIEISA-N 304.354 -0.138 30 20 DBED CCN(CC(=O)NCCn1cc(C#N)c(O)nc1=O)C1CC1 1453843587 PKYFCNLFBZHRIL-UHFFFAOYSA-N 305.338 -0.579 30 20 DBED C=CCOCC(=O)N1CCCC[C@H]1CNCC(=O)NC(N)=O 1485035438 OEWYSLCWIQDQQB-NSHDSACASA-N 312.370 -0.645 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@@H](O)CNC(=O)c2ccccn2)c1 1533150402 CANNUIMRTBCKOO-NSHDSACASA-N 313.317 -0.198 30 20 DBED Cn1cncc1[C@@H]1C[C@H]1C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[nH]1 1570922490 IJMATXKCQPVBEG-RNFRBKRXSA-N 324.308 -0.063 30 20 DBED C[C@H](C#N)C(=O)N1CCN(c2cnc(-c3nn[nH]n3)cn2)CC1 1573569592 BXVQQVQXMGBOBH-SECBINFHSA-N 313.325 -0.535 30 20 DBED C[C@@H](CN1CCOCC1)Nc1cnc(C#N)c(-c2nn[nH]n2)n1 1574829502 DHIPKSMQRJTAAL-VIFPVBQESA-N 315.341 -0.339 30 20 DBED C#CCN(CC(=O)O)S(=O)(=O)c1c(C)nn(COC)c1C 1588425194 IQXVIRDBADCWFU-UHFFFAOYSA-N 315.351 -0.188 30 20 DBED C[C@H](C(=O)N[C@@H](C(=O)O)c1ccnn1C)n1cnc(C#N)n1 1588552312 RXMMRHXMKAMAGS-GMSGAONNSA-N 303.282 -0.614 30 20 DBED COC(=O)[C@@H]1CN(S(=O)(=O)CCCCC#N)C[C@H]1C(=O)O 1598825455 KPMDARLFZXWWOC-NXEZZACHSA-N 318.351 -0.184 30 20 DBED C#CCN(CC(=O)O)C(=O)CCNS(=O)(=O)c1ccccc1 1602682952 XCWCXYQZGRAXCU-UHFFFAOYSA-N 324.358 -0.099 30 20 DBED C#CC[C@@H](NC(=O)c1ccc(S(=O)(=O)NC)cc1)C(=O)O 1602693375 RMKFTDCEYNESJM-LLVKDONJSA-N 310.331 -0.199 30 20 DBED C#CCN(CC(=O)O)c1nnc(CCO)n1C[C@@H]1CCOC1 1602700984 QPDHDGHKGPESRM-NSHDSACASA-N 308.338 -0.626 30 20 DBED CN(CCNc1ccc(C#N)nn1)c1ccc(-c2nn[nH]n2)nn1 1604773904 LFLBBAASTJIUAT-UHFFFAOYSA-N 323.324 -0.133 30 20 DBED COc1cc(CNC(=O)NCC#CCO)ccc1-c1nn[nH]n1 1605212487 FWUIQILLVTWWQP-UHFFFAOYSA-N 316.321 -0.330 30 20 DBED COC(=O)c1cc(S(=O)(=O)N(CC#N)CC(=O)O)n(C)c1 1606565523 FJIFNNXJMRVBHF-UHFFFAOYSA-N 315.307 -0.589 30 20 DBED N#Cc1c[nH]c(C(=O)NC2(CNC(=O)[C@H]3C[C@@H]3C(=O)O)CC2)c1 1608195844 YQVKCXAOYWUBPH-UWVGGRQHSA-N 316.317 -0.014 30 20 DBED N#Cc1ccc(C(=O)NCCCN2CCN(CC(N)=O)CC2)[nH]1 1752342296 WWMGFWPBOVAINZ-UHFFFAOYSA-N 318.381 -0.891 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)[C@@H](C)CC(N)=O)[C@H]2C1 1752845114 QEQQOHASUBRSFG-ZXPJVPCYSA-N 322.409 -0.765 30 20 DBED COCC#CCN1[C@H]2CC[C@H]1CN(C(=O)C[C@@H]1CCC(=O)N1)C2 1753308846 HCPVIDVCUYONMN-KKUMJFAQSA-N 319.405 -0.020 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC[C@@H](N(C)C(=O)c2cnnn2C)C1 1753434766 HVIAMCYUUWHMQF-VXGBXAGGSA-N 320.397 -0.348 30 20 DBED C#CCNC(=O)CN[C@@H](CC)CNC(=O)c1ccnc(C)n1 1753494353 CPEBUKFJDFDVTF-LBPRGKRZSA-N 303.366 -0.368 30 20 DBED C#CCNC(=O)CNC[C@H]1CCC[C@@H]1NC(=O)c1csnn1 1753891370 KHCVASWIBKNOGP-MNOVXSKESA-N 321.406 -0.224 30 20 DBED C#CCNC(=O)[C@H](C)N(C)C[C@H](C)NC(=O)c1cn(C)nn1 1754307360 AKFGHLCNQXJGHC-QWRGUYRKSA-N 306.370 -0.997 30 20 DBED C=CCOCCN1CC(O)(CNC(=O)[C@]2(F)CCOC2)C1 1754772939 XNLWYZKWDAXXHO-AWEZNQCLSA-N 302.346 -0.520 30 20 DBED C=C(C)CN1CC(O)(CNC(=O)[C@@H]2CCCCN(C)C2=O)C1 1754778411 ZLDHQZLGZDZQIL-ZDUSSCGKSA-N 309.410 -0.016 30 20 DBED C#CCN1CCC[C@](CO)(NC(=O)[C@H]2CCCN2C(C)=O)C1 1754860115 BJZCNKZMJKNVQY-ZBFHGGJFSA-N 307.394 -0.426 30 20 DBED C#CCCCC(=O)NC[C@@H]1COCCN1Cc1cnn(C)n1 1754966646 XUJMOJCDUQPMJP-CQSZACIVSA-N 305.382 -0.064 30 20 DBED C=CCN1CCOC[C@@H]1CNC(=O)C(=O)Nc1cc(C)on1 1754975420 YKNBZMJKFLDRMR-NSHDSACASA-N 308.338 -0.075 30 20 DBED C#CCN[C@@]1(CO)CCCN(C(=O)c2cc(OC)ncn2)C1 1755083601 UXVWSKNGKNDLJD-HNNXBMFYSA-N 304.350 -0.325 30 20 DBED C#CCNC(=O)CN(C)[C@@H](C)CNC(=O)[C@H](NC(C)=O)C(C)C 1755322996 OYAPIRSCTAOJFH-SWLSCSKDSA-N 324.425 -0.667 30 20 DBED COCC#CCN1CCO[C@]2(CCN(C(=O)CNC(C)=O)C2)C1 1755399968 VXJGGODWTGKPNX-MRXNPFEDSA-N 323.393 -0.924 30 20 DBED N#CCNC(=O)CN1CCCC2(C1)CN(C(=O)C#CC1CC1)C2 1755455447 MZDKGUMQQUBZLK-UHFFFAOYSA-N 314.389 -0.036 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H](C)CN(C)C(=O)c1cnc(C)n1C 1755601052 JCMLYJDIRLYQAI-VXGBXAGGSA-N 319.409 -0.083 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H](CO)CNC(=O)c1ccc(F)nc1 1755622886 OYWJIEBGFPWSPD-ZYHUDNBSSA-N 322.340 -0.961 30 20 DBED C=CCN[C@@H](CO)CNC(=O)c1ccnc(-n2cncn2)c1 1755647585 NAEXNSHLZNHWHA-GFCCVEGCSA-N 302.338 -0.471 30 20 DBED C#CCNC(=O)CNC[C@@H]1CC[C@@H](NC(=O)c2cnccn2)C1 1755730148 ZLCWWUZIADGCDB-CHWSQXEVSA-N 315.377 -0.286 30 20 DBED CC(C)[C@@H](C)NC(=O)CNC[C@@H](O)CN(C)C(=O)C#CC1CC1 1755777443 JZTSYVPHBFDOSJ-UKRRQHHQSA-N 323.437 -0.031 30 20 DBED C=CCC[C@H](C)NC[C@H](O)CN(C)C(=O)C1CS(=O)(=O)C1 1755780293 CIBGXVTYODGZGC-AAEUAGOBSA-N 318.439 -0.205 30 20 DBED C=CCNC[C@H](O)CN(C)C(=O)c1sccc1-n1cnnn1 1755792967 LFTHUTQWIKXQTK-JTQLQIEISA-N 322.394 -0.068 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC([C@H](C)NC(=O)Cn2cncn2)C1 1756161973 ZEWGZSRKQRJCNY-XHDPSFHLSA-N 321.381 -0.432 30 20 DBED C=CCOCC(=O)N(C)C[C@@H](C)NC(=O)[C@H]1CN(C)CCO1 1756439470 ZVWVBNNLQUGUHS-CHWSQXEVSA-N 313.398 -0.517 30 20 DBED C=CCC(C)(C)C(=O)N[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1O 1756998631 UXAYKRNMVLDZSE-NXEZZACHSA-N 307.354 -0.292 30 20 DBED C#CCNC(=O)CNS(=O)(=O)c1cc(C(=O)O)ccc1CC 1776134746 MXWJHGUKBQFUFJ-UHFFFAOYSA-N 324.358 -0.025 30 20 DBED C[C@H](CN)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1CC1)C2 1795508799 YMPYEJZPZGQIHG-OEYIWLLWSA-N 319.405 -0.416 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)no1 1798205519 KNVXCNMUNPEURS-YFKFIEJBSA-N 305.290 -0.783 30 20 DBED C=CCC(F)(F)C(=O)N1CC2(CCCN2C(=O)C(O)O)C1 1841236486 QKQIYGKTFJDODM-UHFFFAOYSA-N 304.293 -0.288 30 20 DBED C=CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CNC(N)=O 1847814958 PCEPORSYSUMNFL-WOPDTQHZSA-N 324.381 -0.552 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CCCC2)CC1 51955476 DQLNSKNPXIYCSH-UHFFFAOYSA-N 308.382 -0.945 30 20 DBED Cc1nn(Cc2nc(N)nc(N(C)C)n2)c(=O)c(C#N)c1C 53399675 WIWKFHVSGLTGMM-UHFFFAOYSA-N 300.326 -0.387 30 20 DBED C[C@@H](C(=O)N(C)CCC#N)N1CCc2nn(C)c(=O)cc2C1 78620649 BOIBQSQAIURWFE-NSHDSACASA-N 303.366 -0.101 30 20 DBED C#CCCN1CCN(S(=O)(=O)CCC(=O)OCC)CC1 115956736 PTNOSYHCVWNRAE-UHFFFAOYSA-N 302.396 -0.090 30 20 DBED C#CCNC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 154964072 BJRVXFWNNVWSEA-UHFFFAOYSA-N 311.319 -0.035 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(CC)CC2)C1=O 264261500 JMWOKPZNVAHSRC-UHFFFAOYSA-N 308.338 -0.873 30 20 DBED C[C@]1(C2CC2)NC(=O)N(CC(=O)N2CCO[C@@H](C#N)C2)C1=O 264529765 ZSYJNFQFAUFNTK-IINYFYTJSA-N 306.322 -0.542 30 20 DBED CN1CCN(C(=O)C(=O)N2CCc3ccc(C#N)cc32)CC1=O 270166745 JKTVAIRRPCMHIR-UHFFFAOYSA-N 312.329 -0.252 30 20 DBED CNS(=O)(=O)N1CCN(C(=O)c2ccc(C#N)c(C)n2)CC1 282908640 MOBLVLIRIAAOKL-UHFFFAOYSA-N 323.378 -0.516 30 20 DBED C=CCCN(C)C(=O)C(=O)NCCCN(CC)S(C)(=O)=O 285562787 QUGXGAOYKFMTRV-UHFFFAOYSA-N 319.427 -0.191 30 20 DBED C=CCCOCCNC(=O)C(=O)N1C[C@@H](C)[C@H](C(=O)OC)C1 289506411 ZYDJMLOCWZRXRV-VXGBXAGGSA-N 312.366 -0.037 30 20 DBED COCCN(CCC#N)S(=O)(=O)NCC(=O)N1CCCC1 336928907 ZGVZRPFKLSJWPJ-UHFFFAOYSA-N 318.399 -0.695 30 20 DBED C=CC[C@H](CO)CNC(=O)NC[C@@H]1CCCN1S(C)(=O)=O 341846651 USQJVDJTUKTPPB-RYUDHWBXSA-N 319.427 -0.106 30 20 DBED C=CC[C@@H](CO)CNC(=O)c1ccnc2c(C(N)=O)cnn12 342230578 YISSFIUMWHDBMG-SECBINFHSA-N 303.322 -0.257 30 20 DBED N#CCNC(=O)CNC(=O)c1ccnc(N2CCCCC2)n1 343521088 CLLAHUDDOFSYNG-UHFFFAOYSA-N 302.338 -0.164 30 20 DBED N#CCNC(=O)CNC(=O)CCCNC(=O)c1ccccc1 344121663 TZIVJUBDLARQAV-UHFFFAOYSA-N 302.334 -0.047 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@H](C)O[C@@H](CC)C2)C1=O 347841111 WTHSJJDPDYPQSF-QWRGUYRKSA-N 323.349 -0.011 30 20 DBED N#CCNC(=O)CNC(=O)NCCS(=O)(=O)c1ccccc1 348920605 PIGROCCWNQDDAZ-UHFFFAOYSA-N 324.362 -0.601 30 20 DBED Cc1cc(NC(=O)C(=O)NCC(C)(C)N(C)C)nn1CCC#N 349088026 WUOXUPIUNJMUIG-UHFFFAOYSA-N 320.397 0.500 30 20 DBED C=CCCCCNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 351577173 RDPBZPYQHBPRAI-UHFFFAOYSA-N 301.368 -0.281 30 20 DBED CN(CC(C)(C)C#N)C(=O)CN1CCN(S(C)(=O)=O)CC1 353248355 RMXZRILQURRCTG-UHFFFAOYSA-N 316.427 -0.428 30 20 DBED COC(=O)CN1CCN([C@H](C)C(=O)NC2(C#N)CCC2)CC1 355297618 VAYKPHYIPHGXRI-GFCCVEGCSA-N 308.382 -0.272 30 20 DBED C=C(C)COCCNC(=O)C(=O)Nc1cccc(C(N)=O)n1 356006663 PZVINBKTUMROMM-UHFFFAOYSA-N 306.322 -0.172 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)Nc2cc(C(N)=O)ccc2F)CCO1 358430043 UDBZFYWTQHDRRK-VIFPVBQESA-N 320.280 -0.386 30 20 DBED Cn1c(N[C@H]2CC(=O)N3CCCC[C@@H]23)c(C#N)c(=O)n(C)c1=O 374586536 SEPLOMOICCIRPK-QWRGUYRKSA-N 317.349 -0.479 30 20 DBED C#CCCS(=O)(=O)N1CCCN(CC(=O)OCC)CC1 375256184 NLHCNBVCIUUBEX-UHFFFAOYSA-N 302.396 -0.090 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H]1CCN(C(C)=O)C1 407953464 LSIKOLPIYWQSDM-PWSUYJOCSA-N 302.400 -0.077 30 20 DBED C[C@@H](C#N)S(=O)(=O)N1CCCC[C@@H]1C(=O)N1CCOCC1 416392889 VUOXWKAABNVQAC-NWDGAFQWSA-N 315.395 -0.058 30 20 DBED C=CCCn1cc(C(=O)NCCC(=O)N2CCN(C)CC2)nn1 424662045 XDIBYPNUSSNKRK-UHFFFAOYSA-N 320.397 -0.252 30 20 DBED COC(=O)[C@H](O)C1CCN([C@H](C)C(=O)N(C)CCC#N)CC1 441266766 NXENEFJBLZTPIM-DGCLKSJQSA-N 311.382 -0.007 30 20 DBED COC[C@H](C)OC[C@@H](O)Cn1cc(C(=O)OC)cc(C#N)c1=O 446992407 CPQJEHPUJVGZNJ-GWCFXTLKSA-N 324.333 -0.081 30 20 DBED C=C[C@@H]1CCCCN1S(=O)(=O)c1cn(C)c(=O)n(C)c1=O 487382817 XLDADVOIFXDMJR-SNVBAGLBSA-N 313.379 -0.187 30 20 DBED C#CCNS(=O)(=O)c1cccc(C(=O)OCCC(=O)NC)c1 490830790 NBWKXUIOZAYHFC-UHFFFAOYSA-N 324.358 -0.109 30 20 DBED C#C[C@@H](CC)NC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 491774841 CVTAJFPHPVBARN-VIFPVBQESA-N 300.318 -0.226 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H]([C@@H](C)O)C2)C1=O 532628122 ZSXJXIRZIHKFGX-MNOVXSKESA-N 323.349 -0.417 30 20 DBED C=CCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](C(N)=O)C1 554618851 ADEFGHIZNRCSBW-LLVKDONJSA-N 317.353 -0.445 30 20 DBED N#Cc1ccccc1S(=O)(=O)N(CCO)CCOCCO 565489803 CVASDPGQMWEYGI-UHFFFAOYSA-N 314.363 -0.450 30 20 DBED C=CCNC(=O)c1ccc(N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)nc1 578766868 JKTJPFKQBVJTSD-OLZOCXBDSA-N 315.377 -0.254 30 20 DBED COC[C@@H](CCO)NCCS(=O)(=O)c1ccc(C#N)cn1 581548672 QRFYIFZZRUEHLK-GFCCVEGCSA-N 313.379 -0.286 30 20 DBED N#CC1(CS(=O)(=O)N[C@H](CCC(N)=O)C(=O)O)CCCC1 582999938 OFVFNPRUOZZCRU-SECBINFHSA-N 317.367 -0.292 30 20 DBED CC(C)n1cc(C#N)c(NC(=O)C(=O)N[C@H]2CO[C@@H](C)C2)n1 592316523 RQJJUHLOPGOKPT-GXSJLCMTSA-N 305.338 0.568 30 20 DBED COc1cc(F)ccc1S(=O)(=O)NCC(=O)NCC#N 595341337 VXDLGZMWTOYWAD-UHFFFAOYSA-N 301.299 -0.248 30 20 DBED N#Cc1ncn(CCNC(=O)NC[C@H](C(=O)O)C2CCC2)n1 596654962 OGJFDFGYKQRLIA-JTQLQIEISA-N 306.326 -0.050 30 20 DBED N#Cc1ccccc1OC[C@H](O)CNC[C@H]1CC[C@H](C(N)=O)O1 600732453 ZULVZWXBUFZVJJ-UMVBOHGHSA-N 319.361 -0.080 30 20 DBED C=C[C@H](CO)NC(=O)[C@H](C)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 620590547 ODSDFJRNTUOAEZ-VQJPJQAJSA-N 308.334 -0.800 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@H](N)[C@@H](CC)C2)C1=O 648125740 UFOFNSUUYMYZCY-QWRGUYRKSA-N 322.365 -0.451 30 20 DBED C#CCCCS(=O)(=O)N1CCC[C@H](NS(C)(=O)=O)C1 710091271 UHCAIBVYYJLZMF-NSHDSACASA-N 308.425 -0.257 30 20 DBED C#CCOc1ccc(NC(=O)C(=O)NCc2nn[nH]n2)cc1 737268739 QHBUNQUJCKBCEN-UHFFFAOYSA-N 300.278 -0.533 30 20 DBED CC(C)(C#N)CS(=O)(=O)NC(=O)Cn1cc([N+](=O)[O-])cn1 776143249 ODJDWVAZGYTRBW-UHFFFAOYSA-N 315.311 -0.213 30 20 DBED COCC1(C(=O)O)CCN(S(=O)(=O)N(C)CCC#N)CC1 794912194 DLIVJPWGVNGUPK-UHFFFAOYSA-N 319.383 -0.110 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)NN1CC(=O)N(C)C1=O 800105240 NEAXXJRVFVMCQB-MRVPVSSYSA-N 303.344 -0.889 30 20 DBED C#C[C@H](NC(=O)C(=O)N(C)CCN1CCOCC1)[C@@H]1CCCO1 809307255 BNPMIWNLVMBFHM-KBPBESRZSA-N 323.393 -0.926 30 20 DBED Cn1cnn(CCC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1=O 815574966 HELPGGODFYTTIN-LBPRGKRZSA-N 304.354 -0.829 30 20 DBED O=C(CNC(=O)NCc1ccco1)N[C@@H]1CCCN(O)C1=O 820476422 LSKYUKYDMOHFJC-SNVBAGLBSA-N 310.310 -0.425 30 20 DBED C#C[C@H](NC(=O)C(=O)NCCN(C)C(=O)OC)[C@@H]1CCCO1 829215583 WRYRCANFCRTELO-QWRGUYRKSA-N 311.338 -0.902 30 20 DBED CC[C@H](C)[C@H](NS(=O)(=O)N1CCO[C@@H](C#N)C1)C(=O)O 841777002 SWFIEBHJXXBVCA-GUBZILKMSA-N 305.356 -0.456 30 20 DBED C#CC1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cnn(C)c2)CC1 844045842 RIZSFMYTLRRNKA-LLVKDONJSA-N 324.406 -0.041 30 20 DBED CC#CC[C@H](CO)NC(=O)C1=C(C)N(C)c2nnnn2[C@H]1C 848241799 XIESWGRHLPAWNQ-WDEREUQCSA-N 304.354 -0.152 30 20 DBED C#CCC[C@@H](O)CNS(=O)(=O)c1ccc2[nH]c(=O)cnc2c1 849390906 CVWJDUBJUARQGQ-SNVBAGLBSA-N 321.358 -0.024 30 20 DBED N#Cc1cncc(S(=O)(=O)NC(=O)c2cn(C3CC3)nn2)c1 860785448 YKBDRJMXPRIYJM-UHFFFAOYSA-N 318.318 -0.002 30 20 DBED C=CC[C@@H](NC(=O)C(=O)NC[C@H]1COCCN1)c1ccncc1 861735730 UVUWLKFETAGHQJ-UONOGXRCSA-N 318.377 -0.080 30 20 DBED C=CC[C@@H](NC(=O)C(=O)NC[C@@H]1COCCN1)c1ccncc1 861735731 UVUWLKFETAGHQJ-ZIAGYGMSSA-N 318.377 -0.080 30 20 DBED C#CCNS(=O)(=O)N1CCN(c2ncc(Cl)cn2)CC1 872634276 YXDZZJJFUHEJIP-UHFFFAOYSA-N 315.786 -0.280 30 20 DBED C[C@H]1CN(CCNC(=O)N2CCN(CCC#N)CC2)CCO1 875194406 KDFNDEZEBQUPOA-AWEZNQCLSA-N 309.414 -0.052 30 20 DBED C=CCOc1cccnc1C(=O)N1CC[C@@H](NC(=O)C(N)=O)C1 936172103 HTIYQWAWVNOFLU-SNVBAGLBSA-N 318.333 -0.538 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCN1C(N)=O 937508270 UGCQPBUPZRAQGG-RHYQMDGZSA-N 319.365 -0.499 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](N(C)C(=O)c2c[nH]c(=O)cn2)C1 939397608 PVMAGVMUYDDLRZ-ZJUUUORDSA-N 303.322 -0.398 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)[C@@H]3CCNC3=O)C2)[nH]1 940063960 SMHBBGNIGKSJEE-GHMZBOCLSA-N 315.333 -0.647 30 20 DBED C=CCN1CC[C@@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)[C@H](C)C1 943305590 OWHIEMBCVLKLPZ-GHMZBOCLSA-N 322.365 -0.580 30 20 DBED CN1C[C@@H](C(=O)NC2CCN(C(=O)C#CC3CC3)CC2)NC1=O 946686718 LFNDADZVDNQAEJ-ZDUSSCGKSA-N 318.377 -0.469 30 20 DBED CC(=O)N1CC(C(=O)NC2CCN(C(=O)C#CC3CC3)CC2)C1 946690349 MNMIPKULIHFGRZ-UHFFFAOYSA-N 317.389 -0.015 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(NC(=O)[C@H]2CN(C)C(=O)N2)CC1 948110391 YADUKABKXOVTOZ-GXSJLCMTSA-N 307.354 -0.723 30 20 DBED C=CCn1cc(C(=O)N2CC[C@@H]2CNC(=O)[C@H]2CCOC2)nn1 949041660 FYMSLZHGOCPRFL-NWDGAFQWSA-N 319.365 -0.169 30 20 DBED N#CCN1CCC2(CC1)CN(C(=O)C1(C(N)=O)CC1)CCO2 949170925 RUWOAHVPYJAFAO-UHFFFAOYSA-N 306.366 -0.531 30 20 DBED C[C@H](C#N)C(=O)N1CCC2(CC1)CN([C@H](C)C(N)=O)CCO2 949320761 VAMDXGQRUCUXMY-VXGBXAGGSA-N 308.382 -0.287 30 20 DBED C#CCN1CCOC2(CCN(C(=O)C3CN(C(C)=O)C3)CC2)C1 949352450 VIAYHZYFRLXGEH-UHFFFAOYSA-N 319.405 -0.209 30 20 DBED C#Cc1cncc(C(=O)N2CCN([C@@H](C)C(=O)NC)CC2)c1 950407063 XGDXXDVVLQPJRN-LBPRGKRZSA-N 300.362 -0.045 30 20 DBED CCN(C(=O)c1nc(C)n(-c2nc[nH]n2)n1)C1CN(CC#N)C1 951084019 ZIGWSSFWQWXNAE-UHFFFAOYSA-N 315.341 -0.636 30 20 DBED C#Cc1cncc(C(=O)N(C)C2CN(C(=O)c3ncn(C)n3)C2)c1 955262670 DWHHPJPKRCMLBI-UHFFFAOYSA-N 324.344 -0.212 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2ncccc2NC(C)=O)C1 958127438 YRRCAIRXIOVWQC-TZMCWYRMSA-N 316.361 -0.304 30 20 DBED C#CCN1C[C@H](CNC(=O)c2cnn3c2OCCC3)[C@@H](O)C1 958220158 UKBAGNIANYDTSZ-AAEUAGOBSA-N 304.350 -0.679 30 20 DBED N#CCN1C[C@H](CNC(=O)c2ccc3nc(O)[nH]c3n2)[C@@H](O)C1 958345711 QUFNOQMKGCBTHM-KWQFWETISA-N 316.321 -0.790 30 20 DBED C=CCN1C[C@H]2C(NC(=O)[C@@H]3CC(=O)N(c4cn[nH]c4)C3)[C@@H]2C1 959877916 UTIFNFZQHZKWAC-RAIGVLPGSA-N 315.377 -0.005 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CCNC(=O)C3)C[C@@H]2C1 961351332 LKLPTBCHIOXBJE-QNWHQSFQSA-N 318.377 -0.411 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H](NC(=O)Cn2cnnc2O)CC1 964846480 UUGGGADYCZHGMG-WDEREUQCSA-N 320.353 -0.359 30 20 DBED C[C@@H]1CCN(CC#N)C[C@@H]1NC(=O)c1cnc(O)n(C)c1=O 967699673 DXMOSZNFJCMBBS-KOLCDFICSA-N 305.338 -0.550 30 20 DBED C[C@H](N[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1)c1nnnn1C 968344714 WTTQVTKLCWJRJY-GXSJLCMTSA-N 314.353 -0.025 30 20 DBED C=C1CC(C)(C(=O)N2C[C@H](O)[C@H](NC(=O)c3cnn(C)n3)C2)C1 968885912 NHLISRSENYUDBB-NEPJUHHUSA-N 319.365 -0.527 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@]2(CN(CC(=O)N(C)C)CCO2)C1 972299209 YQTFXADPUACXKN-WFASDCNBSA-N 308.382 -0.462 30 20 DBED Cc1c(C(=O)N2CC[C@]3(CN(CC#N)CCO3)C2)nnn1C 972309857 HSAKTUBUPPWQJT-AWEZNQCLSA-N 304.354 -0.436 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H](CNC(=O)c2cn(C)nn2)C1 975249674 VYTCBEWBXDGJAR-MNOVXSKESA-N 304.354 -0.057 30 20 DBED C[C@@H]1[C@@H](NCC#N)CCN1C(=O)CN1C(=O)CC(C)(C)C1=O 986279361 KLCRWXAKALTFMY-MNOVXSKESA-N 306.366 -0.126 30 20 DBED C[C@@H]1C[C@@H](NCc2nnn(C)n2)CN1C(=O)c1cc(C#N)c[nH]1 988499411 GNQHALMRPSWEDE-MWLCHTKSSA-N 314.353 -0.197 30 20 DBED C=CCn1cc(C(=O)N2CC(NC(=O)[C@H]3CCCCO3)C2)nn1 990861742 RNRCCGGBABCIHG-CYBMUJFWSA-N 319.365 -0.026 30 20 DBED C=C(C)CNC1CC(N(C)C(=O)c2cn(CC(N)=O)nn2)C1 999870005 IZFCHXXGUIRGAT-UHFFFAOYSA-N 306.370 -0.468 30 20 DBED C#CCCN1CCC(N(C)C(=O)Cn2ncn(C)c2=O)CC1 1005626230 RBMIRKQANDZZKB-UHFFFAOYSA-N 305.382 -0.472 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](C)OC2(CCN(C(=O)C(N)=O)CC2)C1 1006773048 CFLHLLDJZHVVCW-WDEREUQCSA-N 322.365 -0.760 30 20 DBED C[C@@H](C#N)C(=O)N1CCCC2(C1)CN(C(=O)[C@@H]1CNC(=O)N1)C2 1010818829 XWYBJNYNSYYBOR-QWRGUYRKSA-N 319.365 -0.722 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C(NC(=O)c3cnn[nH]3)[C@H]2C1 1013386854 ZKTRATNSRZJXIU-WDCWCFNPSA-N 317.349 -0.418 30 20 DBED C=C(Cl)CN[C@H]1CCN(C(=O)CN2CCCS2(=O)=O)C1 1018939499 IWYBHMOTEFHBQO-NSHDSACASA-N 321.830 -0.035 30 20 DBED Cn1ncc(C(=O)N2CCC3(CN(C(=O)C#CC4CC4)C3)C2)n1 1019010269 LGUNDGVOXDUIPN-UHFFFAOYSA-N 313.361 -0.097 30 20 DBED C=CCN1CC[C@H](N[C@H]2CCN(C(=O)c3cnon3)C2)C1=O 1019540168 IQMCPVCNGLPLBQ-QWRGUYRKSA-N 305.338 -0.339 30 20 DBED C[C@@H](C#N)C(=O)N1CCCO[C@H](CNC(=O)c2ccn(C)n2)C1 1019591863 AJGWPHLSDKRNSO-NWDGAFQWSA-N 319.365 -0.073 30 20 DBED N#CCN1CCCC[C@@H]1CNC(=O)[C@@H]1CCS(=O)(=O)N1 1024807562 UUCQDIZDEBCSPE-MNOVXSKESA-N 300.384 -0.828 30 20 DBED C=CCN[C@@H]1CC[C@H]2CN(C(=O)Cn3ncn(C)c3=O)C[C@@H]21 1026298664 RZPZQXJCDDRFHQ-RWMBFGLXSA-N 305.382 -0.406 30 20 DBED C#CCN(C)[C@H]1CCCN(C(=O)c2cn(C)c(=O)nc2O)C1 1027677382 SOAKTUVEYMZQJW-NSHDSACASA-N 304.350 -0.345 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)c3ccc(O)nn3)C2)C1=O 1030079730 KMTXWAAKFWDHMT-GFCCVEGCSA-N 317.349 -0.617 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C2(n3cnnn3)CCOCC2)C1 1033490158 NWYJEXOONPVSKE-CYBMUJFWSA-N 320.397 -0.103 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)c2cc(C)c(C(N)=O)cn2)C1 1035509108 VDBAKAMJVBVLLI-LBPRGKRZSA-N 316.361 -0.447 30 20 DBED N#CCN1CCO[C@H](CNC(=O)C2CCS(=O)(=O)CC2)C1 1035527588 TVVLDDAOZZEMKN-GFCCVEGCSA-N 315.395 -0.848 30 20 DBED N#CCN1CCO[C@H](CNC(=O)[C@@H]2CCc3nc[nH]c3C2)C1 1035572655 CZFXZJWOMPEDOW-VXGBXAGGSA-N 303.366 -0.145 30 20 DBED C[C@@H]1CN(C(=O)c2nccnc2C(N)=O)CC[C@@H]1NCC#N 1036286667 RHHAJWBRYMAINW-ZJUUUORDSA-N 302.338 -0.461 30 20 DBED C=C(Cl)CN1C[C@H]2C[C@H]1[C@H]2NC(=O)Cn1ccc(O)nc1=O 1037493066 KOPVZIQDNIQMMH-NRUUGDAUSA-N 324.768 -0.110 30 20 DBED C#CCCCC(=O)N1CC[C@@](O)(CNC(=O)[C@@H](C)OCC#C)C1 1039722181 SOJIGBVWQQXKMJ-RHSMWYFYSA-N 320.389 -0.092 30 20 DBED C=CCC(CC=C)C(=O)NC[C@]1(O)CCN(C(=O)C(N)=O)C1 1039809618 ZOLCWGXIMPZOBS-OAHLLOKOSA-N 309.366 -0.680 30 20 DBED CCN(C)C(C)(C)C(=O)NC[C@]1(O)CCN(C(=O)[C@H](C)C#N)C1 1040183175 XMYOBJSHBVPMDY-MLGOLLRUSA-N 324.425 -0.044 30 20 DBED N#CCN1CCC2(CC1)CCN(C(=O)CN1CCOCC1=O)C2 1040730194 SSOAJMLFTZAZBC-UHFFFAOYSA-N 320.393 -0.317 30 20 DBED N#Cc1cccnc1N1C[C@@H](O)[C@H](NC(=O)c2ccncn2)C1 1041129946 AGCGXXBWODWJTN-CHWSQXEVSA-N 310.317 -0.277 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)CCC(=O)NCC)C1 1041952825 YCXGOEGHDRYEHA-UHFFFAOYSA-N 311.382 -0.442 30 20 DBED C=CC(C)(C)CC(=O)N1CC(O)(CNC(=O)CC(=O)NC)C1 1042728008 UHPRDNFFTLCXNE-UHFFFAOYSA-N 311.382 -0.586 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(O)CN(C(=O)/C=C\C2CC2)C1 1042807507 VAYVWJHQQYZFSS-XHPSBEMXSA-N 308.378 -0.031 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)C[C@H]2CCCO2)C1 1042936874 SNYQUUURSOKDTP-CYBMUJFWSA-N 308.378 -0.096 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)c2cc(C)[nH]n2)C1 1043036914 UDNPDOBFPPEUPD-LLVKDONJSA-N 320.349 -0.940 30 20 DBED N#Cc1cnc(N2C[C@H](O)[C@H](NC(=O)[C@@H]3CCOC3)C2)cn1 1043866341 HJZLSDXVFJLMRE-JLLWLGSASA-N 303.322 -0.950 30 20 DBED C#CCN1CC[C@H](N2CCN(C(=O)Cc3nnc(C)o3)CC2)C1 1046026586 ZYGAZNAHKDZUGC-AWEZNQCLSA-N 317.393 -0.228 30 20 DBED N#Cc1nccnc1N[C@H]1C[C@H](CNC(=O)[C@@H]2CCC(=O)N2)C1 1046862198 UVIDJSIPOKRWRC-DCAQKATOSA-N 314.349 -0.066 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC(=O)N(CC)C2)C1 1047401205 HZTFWOHYASNMTE-IHRRRGAJSA-N 307.394 -0.618 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3nc(O)[nH]c3n2)C1 1047500884 JMKONFFMCXVVTJ-RYUDHWBXSA-N 315.333 -0.586 30 20 DBED C=C(C)CN1C[C@H](O)[C@@H](N(C)C(=O)c2cn(C)c(=O)n2C)C1 1047640657 ACDDYOAMDUMHPI-AAEUAGOBSA-N 308.382 -0.583 30 20 DBED CCC(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@@H]1n1ccnn1 1051396673 UHIAVLZMCPKUAJ-NEPJUHHUSA-N 312.337 -0.104 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@@H](N3CCN(CCO)CC3)C2)[nH]1 1052012402 HGXJQFFXNUNHNX-CQSZACIVSA-N 317.393 -0.289 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)[C@H]3CN(C(C)C)CCO3)CO2)C1 1053904567 PXRLFLCQEUQJSA-LSDHHAIUSA-N 321.421 -0.312 30 20 DBED C[C@H]1CN(C(=O)CN2CCCCS2(=O)=O)C[C@@H]1NCC#N 1054912360 RUZIZNBNLDRSAI-RYUDHWBXSA-N 314.411 -0.628 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H]2CN(C(=O)[C@@H](C)OC)C[C@H]2C1 1055204401 GCCMEUPEJBUEBQ-UPJWGTAASA-N 321.377 -0.922 30 20 DBED N#Cc1nccnc1N1C[C@H]2[C@H](NC(=O)c3nccnc3N)[C@H]2C1 1056152603 KXSVJJRBEUXRJD-JZYVYDRUSA-N 322.332 -0.415 30 20 DBED Cc1cc(C#N)nc(N[C@@H]2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)n1 1056779726 WJFFXZZMRFRGHF-JLLWLGSASA-N 314.349 -0.209 30 20 DBED C[C@H](C(=O)N1CC[C@@H](Nc2cncc(C#N)n2)C1)S(C)(=O)=O 1056814501 PJHGQDQVSRLXEG-NXEZZACHSA-N 323.378 -0.206 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)C[C@H]1CCC(=O)N1 1057170928 HJFVSSNSLKUCCY-GFCCVEGCSA-N 311.382 -0.442 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCN(CCO)C(=O)c1cn(C)cn1 1057345058 LJRDHTGSDPEEOY-OAHLLOKOSA-N 324.381 -0.702 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)c1c[nH]c(C#N)c1 1057391725 KEHOVJZGVFBCHM-UHFFFAOYSA-N 320.349 -0.360 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)c1ncccc1O 1057410177 GJUYNKZINCIRQU-SNVBAGLBSA-N 306.322 -0.502 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)c1csnn1 1057446994 MRYWJHVPMBNJEQ-UHFFFAOYSA-N 310.379 -0.108 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)c1ccc(O)nc1 1057524908 WJFQZPDYEVKYOQ-UHFFFAOYSA-N 319.361 -0.003 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)[C@H](C)CC(N)=O 1057525357 PSAVMMBVRDKBBD-GFCCVEGCSA-N 311.382 -0.906 30 20 DBED N#Cc1cnc(N2CCC(NC(=O)[C@H]3CCC(=O)N3)CC2)cn1 1057846793 HTAMUZGZHUBOFB-GFCCVEGCSA-N 314.349 -0.288 30 20 DBED N#Cc1cncc(N[C@H]2C[C@@H](NC(=O)[C@@H]3CNC(=O)N3)C2)n1 1059803059 UCWKMIAJPIRPHU-XKSSXDPKSA-N 301.310 -0.911 30 20 DBED C=CCOCC(=O)N1CCOC[C@H]1CNC(=O)c1cc[nH]n1 1061328767 MZMLFJUSFFPDGR-LLVKDONJSA-N 308.338 -0.431 30 20 DBED C=CCOCC(=O)N1CCOC[C@@H]1CNC(=O)c1ccn(C)n1 1061595826 PLBYFCYHILDMBD-LBPRGKRZSA-N 322.365 -0.420 30 20 DBED C=CCCC(=O)N1CCOC[C@H]1CNC(=O)[C@@H]1CCC(=O)N1 1061737419 IWPSZDTZMOOHML-NEPJUHHUSA-N 309.366 -0.425 30 20 DBED CC(=O)NCC(=O)NC1(CNC(=O)CSCC#N)CCC1 1062578365 PDRNHFYHUQQCNY-UHFFFAOYSA-N 312.395 -0.466 30 20 DBED N#Cc1nccnc1N1CCO[C@H](CNC(=O)c2cocn2)C1 1063618468 AVUKCFVJIZWGET-SNVBAGLBSA-N 314.305 -0.029 30 20 DBED C[C@H](Nc1cnc(C#N)cn1)[C@H]1CCCN(C(=O)C(N)=O)C1 1063905436 YZTHWBMBCDDIET-UWVGGRQHSA-N 302.338 -0.127 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H]1CN(C(=O)CCOC)CCO1 1064723524 FFBPHDUJGGHZLB-QWHCGFSZSA-N 312.366 -0.595 30 20 DBED CC(C)C#CC(=O)N1CCO[C@@H](CNC(=O)[C@H]2CCC(=O)N2)C1 1065129757 JFVZVEBIFXOMRF-QWHCGFSZSA-N 321.377 -0.732 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CN(C(=O)CCc2cn[nH]c2)CCO1 1065200457 BJZDEWDATFBLAM-YPMHNXCESA-N 319.365 -0.154 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)CNC(=O)NC)CCO1 1065247241 UZWWJELLPMTHSS-LLVKDONJSA-N 312.370 -0.775 30 20 DBED Cc1cnn(CC(=O)NC[C@H]2CN(C(=O)[C@H](C)C#N)CCO2)c1 1065557788 VGXBDZFZOJMCGJ-OLZOCXBDSA-N 319.365 -0.305 30 20 DBED C=CCOCC(=O)N1CCC[C@H](NC(=O)CNC(N)=O)CC1 1065824946 XIRRAYPWWDWYTE-NSHDSACASA-N 312.370 -0.645 30 20 DBED C=CCCC(=O)N1CC2(CN(C(=O)CNC(C)=O)CCO2)C1 1068279354 GNLVYDSMMGYSPZ-UHFFFAOYSA-N 309.366 -0.472 30 20 DBED N#Cc1cnc(NC[C@H]2C[C@H](NC(=O)[C@H]3COC(=O)N3)C2)cn1 1068481259 IOGINKATMBWMLR-FXPVBKGRSA-N 316.321 -0.237 30 20 DBED CC#CCCCC(=O)N1CC2(C[C@H](NC(=O)C(N)=O)CO2)C1 1068993071 SCDYBBXSJGHKHN-NSHDSACASA-N 307.350 -0.849 30 20 DBED CC1(C)CN(C(=O)c2nc[nH]n2)C[C@@H]1N=c1cc[nH]c(C#N)n1 1069582000 UFJWPVBWHVDTCH-VIFPVBQESA-N 312.337 -0.149 30 20 DBED CC1(C(=O)N[C@@H]2CN(CC#N)C[C@@H]2n2ccnn2)CCOCC1 1070054150 JPGDSZGAUFYBMO-OLZOCXBDSA-N 318.381 -0.040 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CCCN(C(=O)CCn2cncn2)C1 1070431770 GFOPNPVDHHAOSE-VXGBXAGGSA-N 304.354 -0.065 30 20 DBED Cn1ncc(C(=O)N[C@@H]2CCCN(C(=O)CSCC#N)C2)n1 1070452731 WGISXPRTGBDSCM-SNVBAGLBSA-N 322.394 -0.207 30 20 DBED C=CCCC(=O)N1CCC[C@@H](NC(=O)Cn2ncn(C)c2=O)C1 1070533076 HSUZIJQAKKFNGJ-GFCCVEGCSA-N 321.381 -0.345 30 20 DBED C[C@H]1C[C@H](C(=O)N2CCC(=O)NCCN(CC#N)CC2)CO1 1070976667 LQTRFMAQPMURNC-STQMWFEESA-N 308.382 -0.415 30 20 DBED Cc1conc1C(=O)N1CCC(=O)NCCN(CC#N)CC1 1071014525 UBDZQBIOVMVDOC-UHFFFAOYSA-N 305.338 -0.229 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(C(=O)CNC(C)=O)C[C@@H]1C 1071509309 BJHXECWGBGHKIP-WCQYABFASA-N 309.366 -0.875 30 20 DBED C[C@H]1CC[C@@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)CN1CC#N 1072043766 DQWVYYBPFAGLPI-WDEREUQCSA-N 321.381 -0.191 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CCN(C(=O)COC)CC1(C)C 1073370883 UKMKECPKJDWOFG-LBPRGKRZSA-N 323.393 -0.484 30 20 DBED C=C(Cl)CN1CCO[C@H]2CCN(C(=O)CC(N)=O)C[C@H]21 1074199460 CDTFWXCJGMGOFL-MNOVXSKESA-N 301.774 -0.084 30 20 DBED C[C@@H](CCNC(=O)c1ccc(C#N)[nH]1)NC(=O)[C@H]1CNC(=O)N1 1076182086 SESCJPXJGCLAGY-GZMMTYOYSA-N 318.337 -0.808 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)[C@H](OC)C1CC1 1076219227 YYDIDNKVKGOWFH-XHDPSFHLSA-N 323.393 -0.438 30 20 DBED C[C@@H](CCNC(=O)CC(=O)N(C)C)NC(=O)c1c[nH]c(C#N)c1 1076568248 ABONZSGWFOLKDK-JTQLQIEISA-N 319.365 -0.011 30 20 DBED COCC(=O)N(C)CC(=O)NCC[C@H](C)NC(=O)[C@H](C)C#N 1076888712 ZIAXGJNWDWJPFF-MNOVXSKESA-N 312.370 -0.738 30 20 DBED C[C@@H](CCNC(=O)[C@@H]1CC(=O)N(C)C1)NC(=O)C#CC1CC1 1076892233 OQGCXICEUVKQQO-WCQYABFASA-N 305.378 -0.111 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)[C@@]2(C)CCN(C(C)=O)C2)C1 1077963800 HFQPBFQMXIKLMX-FMKPAKJESA-N 309.410 -0.018 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC(=O)N2C)C1 1078098948 MQESBUOLNBKHCC-GRYCIOLGSA-N 315.801 -0.089 30 20 DBED C#CCN[C@@H]1C[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C12CCC2 1078630380 XUUBSIZRCXJPJS-MNOVXSKESA-N 316.365 -0.973 30 20 DBED C=CCN1C[C@@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)[C@H](C)C1 1080636748 NMJZVPLKXIAVDA-ZYHUDNBSSA-N 316.365 -0.306 30 20 DBED CC(C)C#CC(=O)N1CCC(CO)(NC(=O)c2nc[nH]n2)CC1 1080942546 RDCAAEYXQQTTNL-UHFFFAOYSA-N 319.365 -0.453 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C[C@@H]1O 1081340683 GPEXRZJGZCEFPR-DKBOKBLXSA-N 324.377 -0.983 30 20 DBED C#CCOCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)COCC=C)C1 1081347116 QUNPKGPTLKXHNX-UONOGXRCSA-N 324.377 -0.836 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)c2cc[nH]n2)C[C@@H]1O 1081441226 FZRXZQMGFZLINA-AAEUAGOBSA-N 304.350 -0.238 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)c2ncccn2)C[C@H]1O 1081463169 KCJKBHQDVNABQE-QWHCGFSZSA-N 316.361 -0.315 30 20 DBED C=C(Br)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)C(N)=O 1083179393 VHSQVWZULVUELJ-DTWKUNHWSA-N 318.171 -0.708 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCc3ncncc3C2)C1 1083517406 YVFVZHFRAXYMME-GLQYFDAESA-N 302.378 -0.071 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2c[nH]nc2-c2ccncc2)C1 1083601750 LTHRVMWPRUFQAY-OLZOCXBDSA-N 312.333 -0.230 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCCN(C(N)=O)C2)C1 1083619991 PRDFKGHMPNZIJP-UPJWGTAASA-N 310.398 -0.486 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2cccc(-c3nc[nH]n3)c2)C1 1083694361 VSRZRVWROXIUBK-OLZOCXBDSA-N 312.333 -0.230 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)c2cncc(C(N)=O)c2)C1 1084068138 NLYZXPIAVDOYQK-OLZOCXBDSA-N 304.350 -0.469 30 20 DBED N#CCN[C@H]1C[C@H](CNC(=O)[C@@H]2CCc3nnc(O)n3C2)C1 1086405828 URABJHZLXJANFL-GMTAPVOTSA-N 304.354 -0.446 30 20 DBED C#CCN1CC[C@H](NC(=O)c2nn3c(c2C)OCCC3)[C@H](O)C1 1090312325 GNSHIZRIOQAJHE-QWHCGFSZSA-N 318.377 -0.228 30 20 DBED CN(C)Cc1cc(C(=O)N[C@H]2CCN(CC#N)C[C@H]2O)no1 1090378997 UUWIWJGIKPDGKQ-WCQYABFASA-N 307.354 -0.575 30 20 DBED Cc1cc(C(=O)N[C@H]2CCN(CC#N)C[C@@H]2O)ncc1C(N)=O 1090574369 RVXIIDHUSZWDBB-AAEUAGOBSA-N 317.349 -0.823 30 20 DBED N#Cc1cnc(N[C@H]2C[C@H](CNC(=O)Cn3cncn3)C2)cn1 1091457863 XRCSTBBMAMUNPN-XYPYZODXSA-N 312.337 -0.053 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCN(c2ccc(C)nn2)C[C@@H]1O 1092164923 QOQUCBFIUUTHNN-KGLIPLIRSA-N 318.377 -0.119 30 20 DBED CNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 1092530669 IAUGCKMBAFGKEJ-ZYHUDNBSSA-N 303.366 -0.070 30 20 DBED O=C(C#CC1CC1)NC1[C@@H]2CN(c3nccn4nnnc34)C[C@@H]12 1093263736 PXBAEJGUESOAJV-GHMZBOCLSA-N 309.333 -0.517 30 20 DBED N#Cc1c[nH]ccc1=NCCNC(=O)C(=O)NCC(F)(F)F 1093810575 OXSFAQCEPWWQAD-UHFFFAOYSA-N 315.255 -0.418 30 20 DBED C#CCN1CC(n2cc(CNC(=O)C3=CCOCC3)nn2)C1 1094286472 AYCNGVLADUCZDO-UHFFFAOYSA-N 301.350 -0.269 30 20 DBED C[C@H](C(=O)NCCCNc1cnc(C#N)cn1)S(C)(=O)=O 1094877609 UYUGEPLLLHJOPC-SECBINFHSA-N 311.367 -0.300 30 20 DBED CN(C)C(=O)CC(=O)NCCCN(C)c1cnc(C#N)cn1 1095752698 XHCAQFHNRMBXNJ-UHFFFAOYSA-N 304.354 -0.231 30 20 DBED COC(=O)NCC(=O)N[C@H]1C[C@@H](Nc2ccc(C#N)nn2)C1 1097148310 OLHZBZVOHQZQLP-AOOOYVTPSA-N 304.310 -0.237 30 20 DBED C[C@@H](CNC(=O)[C@H]1CNC(=O)N1)Nc1ncc(C#N)cc1F 1098250958 QNWVYBNGEPLFTO-OIBJUYFYSA-N 306.301 -0.310 30 20 DBED CCc1nc(C#N)cc(N[C@H](C)CNC(=O)CNC(=O)NC)n1 1098338839 MMHYNOAMWIRAOY-SECBINFHSA-N 319.369 -0.244 30 20 DBED C=CCCC(=O)N[C@@H]1CCN(CCCS(C)(=O)=O)C[C@@H]1O 1099724570 OWYFRZQWLWNSRH-OLZOCXBDSA-N 318.439 -0.061 30 20 DBED CN(C)C(=O)CN1CC[C@H](NC(=O)C#CC(C)(C)C)[C@@H](O)C1 1099829911 JUCSQZYYFGGWQY-STQMWFEESA-N 309.410 -0.325 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)C(C)(C)COC)[C@@H](O)C1 1099919452 ZWPRMHHODIYXLX-KGLIPLIRSA-N 312.410 -0.140 30 20 DBED COCC#CCN1CC[C@H](NC(=O)CCn2ccnc2)[C@H](O)C1 1099939796 MEYZCWWRPDFNCX-LSDHHAIUSA-N 320.393 -0.526 30 20 DBED C=CCCCC(=O)N[C@@H]1CCN(Cc2nnnn2C)C[C@H]1O 1099977252 WTZWIEHZRXUEQG-VXGBXAGGSA-N 308.386 -0.382 30 20 DBED C#CCCN1CC[C@@H](NC(=O)C2(C(=O)NC)CCC2)[C@H](O)C1 1100086317 ZOINKMPRZVHXNZ-CHWSQXEVSA-N 307.394 -0.523 30 20 DBED C[C@@H]1C[C@H](C(=O)NCCN(C)c2ccc(C#N)nn2)CC(=O)N1 1100211595 SXUXNYJIACHFKN-MNOVXSKESA-N 316.365 -0.185 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)c2[nH]c(O)nc2C)C1 1100425780 YCGHQMXAMBCXPK-UHFFFAOYSA-N 319.365 -0.729 30 20 DBED CCCN(CCNC(=O)[C@H]1CCC(=O)N1)c1ccc(C#N)nn1 1101107208 AUVIRPDOLNXXIA-GFCCVEGCSA-N 316.365 -0.041 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CC2(CN(CCCO)C2)n2ccnc21 1101620139 CPLGZBQCDWLFKS-VXGBXAGGSA-N 303.366 -0.003 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)COCCOC)c3nccn32)C1 1101620171 DIONVAHGRUNFGO-ZDUSSCGKSA-N 318.377 -0.249 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)c2ccncn2)C1 1102473716 MCGXXYRHIXYIPM-CHWSQXEVSA-N 315.377 -0.476 30 20 DBED CC(=O)NCC(=O)N[C@H]1CCCCN(c2cncc(C#N)n2)C1 1102838292 PXGSZIYDLJYNBN-LBPRGKRZSA-N 316.365 -0.041 30 20 DBED CC[C@@H](CNC(=O)CCCC(=O)NC)N=c1cc[nH]c(C#N)n1 1103065737 IMVSNJLGFRZDMK-NSHDSACASA-N 318.381 -0.007 30 20 DBED CC[C@@H](CNC(=O)CCn1cnnn1)N=c1cc[nH]c(C#N)n1 1103173673 NOVNZYJIGLUGQV-JTQLQIEISA-N 315.341 -0.846 30 20 DBED COCCOCC(=O)NC[C@@H](C)CN=c1cc[nH]c(C#N)n1 1103898476 NEGCZRMNDPNLOK-NSHDSACASA-N 307.354 -0.403 30 20 DBED Cc1cc(C#N)nc(NC[C@H](C)CNC(=O)[C@H](C)NC(N)=O)n1 1103935139 SZLALZDRQSRUBC-SCZZXKLOSA-N 319.369 -0.122 30 20 DBED C[C@@H](CN=c1cc[nH]cc1C#N)CNC(=O)Cn1cnnc1O 1103958385 OEGWKHHQYIIWPF-JTQLQIEISA-N 315.337 -0.463 30 20 DBED CO[C@@H](C)C(=O)NC[C@@H]1CN(c2nccnc2C#N)CCO1 1104292817 INZLZOVAOMEONI-WDEREUQCSA-N 305.338 -0.295 30 20 DBED C[C@@H](CNc1cncc(C#N)n1)N(C)C(=O)Cc1nc[nH]n1 1104673869 SCQKUEBCRSGSIL-VIFPVBQESA-N 300.326 -0.032 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(n2cc(CNCC=C)nn2)C1 1105240458 NSWMDLZWBGAPFW-GFCCVEGCSA-N 303.366 -0.025 30 20 DBED Cc1cc(C#N)nc(N(C)CCN(C)C(=O)[C@H](C)NC(N)=O)n1 1105379559 ALXWOVJBRJQPBD-JTQLQIEISA-N 319.369 -0.392 30 20 DBED Cc1[nH]nc(C(=O)NC[C@H](O)CN=c2cc[nH]cc2C#N)c1C 1105762356 OFXIUCNBSHRUHW-GFCCVEGCSA-N 314.349 -0.082 30 20 DBED CCn1ncc(C(=O)NC[C@@H](O)CNc2ccc(C#N)nn2)n1 1105822964 XLAYJCCMGBCXNL-JTQLQIEISA-N 316.325 -0.838 30 20 DBED CN1CC[C@H](C(=O)NC[C@H](O)CNc2ncc(C#N)cc2F)C1 1105853471 OOYKIZILHRGNIW-NWDGAFQWSA-N 321.356 -0.067 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H](O)CNc1nc(C)cc(C#N)n1 1105970792 MYCNRHDAKAFWGE-WCQYABFASA-N 317.349 -0.416 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)[C@H]2CN(C)CCO2)C[C@H]1C 1105974098 OCFBRTHGGRBOLI-BZUAXINKSA-N 323.437 -0.349 30 20 DBED COCC1(C(=O)NC[C@@H](O)CNc2nc(C)cc(C#N)n2)CC1 1106022698 GMZTYINSZCVFHA-GFCCVEGCSA-N 319.365 -0.028 30 20 DBED C[C@@H](CCNc1cnc(C#N)cn1)NC(=O)[C@H](C)NC(N)=O 1106298357 QNLQHTNQYMKXBF-IUCAKERBSA-N 305.342 -0.288 30 20 DBED CCCC(=O)NCC(=O)NC/C=C\CN=c1cc[nH]c(C#N)n1 1107106215 WZFZEKKONLEOBA-ARJAWSKDSA-N 316.365 -0.229 30 20 DBED C=CCC[C@@H](C)N1CC(n2cc(CNC(=O)C(N)=O)nn2)C1 1107201783 BMDVQMDCYSVPHL-SNVBAGLBSA-N 306.370 -0.409 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)CNc1cnc(C#N)cn1 1107695926 VHUJYPXFSFBICS-SNVBAGLBSA-N 300.322 -0.596 30 20 DBED C[C@H](CNc1nccnc1C#N)NC(=O)COCCN(C)C 1107849117 YITLWKOLBJYGMX-LLVKDONJSA-N 306.370 -0.157 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H](C)CNc1ccc2nnnn2n1 1107947687 AXEXTGPQPASAEZ-NXEZZACHSA-N 303.326 -0.526 30 20 DBED CC#CCN1CCO[C@](C)(CNC(=O)CN2CCOCC2=O)C1 1107997329 XDOCOMUELZJCQC-MRXNPFEDSA-N 323.393 -0.924 30 20 DBED CC#CCN1CCO[C@](C)(CNC(=O)[C@H]2CCC(=O)N2C)C1 1108157406 VUSWMDKHQKVCBY-CZUORRHYSA-N 307.394 -0.162 30 20 DBED COC[C@@H](OC)C(=O)N[C@H](C)CN(C)c1cncc(C#N)n1 1109220258 VQZGINHTBOAAKK-ZYHUDNBSSA-N 307.354 -0.049 30 20 DBED CC(=O)NCC(=O)N1CCC[C@H]1CN=c1cc[nH]cc1C#N 1110526852 BKZPZCAKSZROKU-ZDUSSCGKSA-N 301.350 -0.086 30 20 DBED C#CCCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCCS(N)(=O)=O 1110963099 NGCQWWJDODPRHK-UPJWGTAASA-N 313.423 -0.200 30 20 DBED C=CCOCC(=O)NC[C@@]1(O)CCN(c2cncc(C#N)n2)C1 1111039199 AUGQSSZKQZUAGE-HNNXBMFYSA-N 317.349 -0.392 30 20 DBED C=CCN(CC=C)C(=O)CN1CCN(C(=O)CC(N)=O)CC1 1112734921 PVWBUYXRVKQXDV-UHFFFAOYSA-N 308.382 -0.793 30 20 DBED C[C@H](NC(N)=O)C(=O)NC1CC(CNc2nccnc2C#N)C1 1112834711 AVMVZBQRCSVZDA-IDKOKCKLSA-N 317.353 -0.288 30 20 DBED COCCOCC(=O)NC[C@@H](C)N(C)c1ccc(C#N)nn1 1113539702 UEHVFLCKUFSAFX-LLVKDONJSA-N 307.354 -0.048 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3csnc3C)[C@H]2C1 1114147114 QEZPCNGJTOHSNK-QWRGUYRKSA-N 318.402 -0.139 30 20 DBED CNC(=O)CC(=O)NCC1[C@H]2CN(c3nccnc3C#N)C[C@H]12 1114531063 VURVVJNHTONWSH-GHMZBOCLSA-N 314.349 -0.717 30 20 DBED Cc1cc(C#N)nc(N2C[C@H]3C(CNC(=O)CC(N)=O)[C@@H]3C2)n1 1114546472 CXYBEMQGTATUBZ-RYUDHWBXSA-N 314.349 -0.670 30 20 DBED COCC1(C(=O)NC2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]23)CCC1 1114584020 CZVXMLCCALRSDT-VXGBXAGGSA-N 320.393 -0.511 30 20 DBED C=C(Cl)CN1C[C@H]2[C@H](NC(=O)CCCS(N)(=O)=O)[C@H]2C1 1114754578 DOEATLMJJIGTPI-IAZYJMLFSA-N 321.830 -0.146 30 20 DBED CC(C)[C@H](NS(C)(=O)=O)C(=O)NC1[C@H]2CN(CC#N)C[C@H]12 1114942602 NUHKMSJKLSXZQT-DCAQKATOSA-N 314.411 -0.870 30 20 DBED COCCC(=O)NCCOCCN(C)c1nccnc1C#N 1115163697 RSFSBUUXHHHFEZ-UHFFFAOYSA-N 307.354 -0.046 30 20 DBED C=C(C)CN1C[C@@H]2C(NC(=O)CCCN3C(=O)CNC3=O)[C@H]2C1 1115219242 UJESHOGPKPJKIU-RYUDHWBXSA-N 320.393 -0.059 30 20 DBED CN(C(=O)CC(N)=O)[C@H](CNc1cncc(C#N)n1)C1CC1 1115487361 ZRIFMZJFAASBHY-LLVKDONJSA-N 302.338 -0.127 30 20 DBED C#CCNC1(CNC(=O)CNS(=O)(=O)NC)CCCCC1 1115648518 URKIVHUNNPXJQS-UHFFFAOYSA-N 316.427 -0.918 30 20 DBED C#CCSCCNC(=O)C(=O)N1C[C@@H](COC)O[C@H](C)C1 1117461552 IYFBAFAJYBPGTC-NEPJUHHUSA-N 314.407 -0.269 30 20 DBED C#C[C@@H](NC(=O)C(=O)NCc1nn(CC)nc1C)[C@@H]1CCCO1 1118115805 AFDHUFKXUQALRC-YPMHNXCESA-N 319.365 -0.480 30 20 DBED CCn1cccc1C(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1 1121642178 SFHGQRFZYZAWKV-LLVKDONJSA-N 314.349 -0.206 30 20 DBED C#CCN(CC#CC)c1nnc(C(N)=O)n1C[C@H]1CCOC1 1123155003 TVWYEDCBSSACHX-GFCCVEGCSA-N 301.350 -0.124 30 20 DBED C[C@H]1C[C@@H](Nc2cncc(C#N)n2)CN1C(=O)CCNC(N)=O 1123230848 JTWOYZQPXXJDMA-VHSXEESVSA-N 317.353 -0.192 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]cc1C#N)C(=O)Cc1cc[nH]n1 1124185424 OGGFIISZOOELIM-CYBMUJFWSA-N 314.349 -0.428 30 20 DBED C[C@H](C#N)C(=O)N(C)C[C@H](O)CNc1ncnc2c1ncn2C 1124192630 YAUMVVNYGFVQHD-NXEZZACHSA-N 317.353 -0.246 30 20 DBED CC(C)C#CC(=O)NCCNCC(=O)N1C[C@H](C)O[C@H](C)C1 1126822784 KALHUVPCDMGMDO-OKILXGFUSA-N 309.410 -0.013 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1ccc(OCC)nc1 1128747402 IQXBPJGAXHBKBI-UHFFFAOYSA-N 304.350 -0.451 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)c1ccc2nn[nH]c2n1 1128885321 FHXQYXJEMRJJTE-SECBINFHSA-N 317.353 -0.637 30 20 DBED C#CCN1CC[C@@]2(C1)CN(C(=O)CCNC(=O)NC)C[C@@H](C)O2 1131657294 HXMSRKWGAJEWKU-CZUORRHYSA-N 322.409 -0.370 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@H](C)NC(=O)C(C)(C)C 1132132457 KFKRDEILRIJXDT-RYUDHWBXSA-N 324.425 -0.619 30 20 DBED CCOCC(=O)N1CC[C@@H](C)[C@H](CNCC(=O)NCC#N)C1 1132610824 SETLEURBLAQTNV-CHWSQXEVSA-N 310.398 -0.263 30 20 DBED C[C@H](C[C@@H](C)NC(=O)C1(N(C)C)CCC1)NCC(=O)NCC#N 1134583464 KTQSGQGTCXKPKO-CHWSQXEVSA-N 323.441 -0.017 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)c1cc(COC)on1 1134911416 WZCSECCUAVJLKE-SNVBAGLBSA-N 310.354 -0.169 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)c1ccc(C(N)=O)s1 1135262979 JFQXBKPZIZIJFV-SECBINFHSA-N 324.406 -0.143 30 20 DBED N#CCNC(=O)CN1CCC2(C1)CN(C(=O)Cn1cccn1)C2 1146985030 GDLTZAUKTWSAGJ-UHFFFAOYSA-N 316.365 -0.943 30 20 DBED N#CCNC(=O)CN1CCCO[C@H](CNC(=O)CC2CC2)C1 1148984943 FKLPAJIMWKHOFG-CYBMUJFWSA-N 308.382 -0.367 30 20 DBED C=CCCCN1CCCO[C@H](CNC(=O)Cn2ncnn2)C1 1149739405 LZSOMQKKHIANTB-CYBMUJFWSA-N 308.386 -0.154 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@@H](C)Oc1ccccc1 1149779731 YXHTVILPYAYGPH-CYBMUJFWSA-N 303.362 -0.091 30 20 DBED C#CCN1CCC(CCOC)(NC(=O)[C@H]2CCNC2=O)CC1 1151248992 WHXYBSJUSAJLAM-ZDUSSCGKSA-N 307.394 -0.257 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)[C@H](C)n1cncn1 1156805654 IPXZGWVBECICMW-RYUDHWBXSA-N 308.386 -0.374 30 20 DBED C=C(C)CN(CC)C(=O)CNCCCNC(=O)CC(=O)NC 1157000752 FIOOVDGUBWYDFA-UHFFFAOYSA-N 312.414 -0.357 30 20 DBED C=CCNC(=O)CNCCCNC(=O)c1cnc2[nH]cnc2c1 1159040474 OVYXWBHFGDKRGF-UHFFFAOYSA-N 316.365 -0.030 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCCN[C@@H]1CCN(CC)C1=O 1160209278 GLCGGXRSFYPURY-CABCVRRESA-N 320.437 -0.199 30 20 DBED C#CCNC(=O)CNCCCNC(=O)CCNC(=O)C(C)(C)C 1163655198 JBPDURKHNFMEGD-UHFFFAOYSA-N 324.425 -0.616 30 20 DBED C=C(C)CCNCCCNC(=O)CCn1cc[nH]c(=O)c1=O 1168512538 KGCIRTLULZWWES-UHFFFAOYSA-N 308.382 -0.011 30 20 DBED C=CCNC(=O)CNCCCC[C@@H](C)NC(=O)C1(C(N)=O)CC1 1174995768 BDFVXROCPUFFCQ-GFCCVEGCSA-N 324.425 -0.181 30 20 DBED C=CCCC(=O)N1CC[C@H]2OCCN(Cc3nnnn3C)[C@H]2C1 1176949020 IJJCDHZMBMUIOD-QWHCGFSZSA-N 320.397 -0.022 30 20 DBED C=C(Cl)CNCCCNC(=O)c1cn(CC(N)=O)nn1 1176956465 ZLUJQSZYZFUNSE-UHFFFAOYSA-N 300.750 -0.775 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1cnc(COC)s1 1177514027 ODGHTRIQNLPHGK-UHFFFAOYSA-N 324.406 -0.252 30 20 DBED Cc1nn(CC(=O)N2CC[C@H](CNCC#N)[C@@H](C)C2)c(=O)n1C 1185595937 XRQJWULPWXZSQU-WCQYABFASA-N 320.397 -0.512 30 20 DBED CC#CCNC[C@H]1CCN(C(=O)CS(=O)(=O)NC)C[C@@H]1C 1185718368 IYPQCCNSFPEZFA-QWHCGFSZSA-N 315.439 -0.367 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3ccc[nH]3)[C@@H]2C1 1186825509 DMWKNGURFHLGFI-GXTWGEPZSA-N 300.362 -0.090 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CN(Cc2cn(CC3CC3)nn2)C[C@H]1O 1191854992 UDGVXRULOJMUTM-LERXQTSPSA-N 318.381 -0.491 30 20 DBED C#CCCN(C)[C@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)C1 1193452027 ZICVCZLQDTURMY-NSHDSACASA-N 314.349 -0.413 30 20 DBED C#CCNC(=O)[C@H](C)N1CCCN(C(=O)[C@H]2CCCN2C)CC1 1195267450 JYMKQRHUTYBHOT-LSDHHAIUSA-N 320.437 -0.247 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)CS(=O)(=O)CC)C1 1199064747 PYPCXRLHSJOTOA-NXEZZACHSA-N 310.803 -0.665 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)CCC(=O)NCC)CC1 1199733095 FHNJOMJWSHAEGB-UHFFFAOYSA-N 322.409 -0.767 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)c2ccc[nH]2)CCCO1 1199833234 SYZVLBSFPDKOSN-CYBMUJFWSA-N 318.377 -0.415 30 20 DBED C=CCOCC(=O)N1CCCO[C@@H](CNCc2nnnn2C)C1 1200108426 DQMGYPRBKMDRPF-LBPRGKRZSA-N 324.385 -0.880 30 20 DBED CN(C)c1cnc(C(=O)N2CCCO[C@@H](CNCC#N)C2)cn1 1200509980 JPFHSKGPZHLEIY-LBPRGKRZSA-N 318.381 -0.113 30 20 DBED C#CCNC[C@@H]1CN(C(=O)CCCS(C)(=O)=O)CCCO1 1201630284 VLVAQCCFNDJWDQ-CYBMUJFWSA-N 316.423 -0.349 30 20 DBED CN(C)CCC(=O)N1C[C@H]2CC[C@H]1[C@H](NCC(=O)NCC#N)C2 1204697548 VZAUFWWSWPQOCF-MJBXVCDLSA-N 321.425 -0.453 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)C2=COCCO2)[C@H](C)C1 1205823223 WFKRBUXMOOUYKR-JHJVBQTASA-N 321.377 -0.551 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)[C@H](C)OCC2CC2)[C@H](C)C1 1206446496 BJFZNNZUDIEZAT-VNHYZAJKSA-N 321.421 -0.013 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)CNC(=O)CC)[C@H](C)C1 1206620341 PWLHURUQPXGWMT-VXGBXAGGSA-N 310.398 -0.749 30 20 DBED C=CCOCCN1C[C@@H](NC(=O)C2CS(=O)(=O)C2)[C@H](C)C1 1207099742 HMSPWNQOQYPHCK-DGCLKSJQSA-N 316.423 -0.330 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)C[C@H]2CCOC2)C1 1207729074 QVMOVMDGAAAQKT-KGLIPLIRSA-N 307.394 -0.257 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2C=C)[C@H](C)C1 1208731810 SPAKVSJWMCZBST-TUVASFSCSA-N 319.405 -0.237 30 20 DBED COCC#CCN1C[C@@H](NC(=O)C(C)(C)NC(C)=O)[C@H](C)C1 1209547503 LTDRFUWOTMDSNB-TZMCWYRMSA-N 309.410 -0.013 30 20 DBED CC#CCN[C@@H]1CCCN(C(=O)c2cn(C)c(=O)nc2O)C1 1211057737 YIUGAWAHMGQUKL-LLVKDONJSA-N 304.350 -0.297 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@H]2CCN(C)C2)C1 1211065588 XSHXLKHBAKDRRD-UONOGXRCSA-N 308.426 -0.179 30 20 DBED CO[C@@H]1CN(CCNC(=O)C2CC2)C[C@H]1NC(=O)C#CC1CC1 1212250579 BGOLPJRJIQZADD-HUUCEWRRSA-N 319.405 -0.259 30 20 DBED C#CCCN1C[C@@H](NC(=O)CNC(=O)[C@H](C)CC)[C@H](OC)C1 1213872185 WNTBSDVUVGQQBB-MGPQQGTHSA-N 309.410 -0.013 30 20 DBED Cc1cc(C(=O)N2C[C@@H](NCC(=O)NCC#N)[C@H](C)C2)ncn1 1214447887 KGDLHCQNAFTILE-ZWNOBZJWSA-N 316.365 -0.525 30 20 DBED CC(C)C#CC(=O)N1CCO[C@@H]2CN(CC(=O)N(C)C)C[C@@H]21 1217844385 VKKLVGUOFHUEEA-UONOGXRCSA-N 307.394 -0.354 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)CSC(C)C)C1 1219212694 YEZLEPKLEAQWEK-OLZOCXBDSA-N 300.424 -0.061 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)C(CC)CC)C1 1219228434 OCZLUGICBYRNNI-YUTCNCBUSA-N 309.410 -0.278 30 20 DBED C=CCCO[C@H](C)C(=O)N[C@@H]1CN(Cc2cn(C)nn2)C[C@@H]1O 1219324729 YXDHYKHUJSYJFJ-BNOWGMLFSA-N 323.397 -0.542 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)c2ccc(F)nc2)C1 1219371219 QMFFNJAKMJUKTQ-OLZOCXBDSA-N 307.325 -0.355 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2nccc(C)n2)C[C@@H]1O 1219604990 FYQLVASEPFUANN-MCIONIFRSA-N 318.377 -0.515 30 20 DBED CC#CCCCC(=O)N[C@@H]1CN([C@@H]2CCCNC2=O)C[C@@H]1O 1220184479 JMNJZIPJOCEVEL-MCIONIFRSA-N 307.394 -0.380 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C[C@H](C=C)CC)C1 1220203418 GCXCYJLJONWXEP-MCIONIFRSA-N 307.394 -0.501 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)[C@H](C)OCC=C)C1 1222067065 BOTKNGZJLSJESR-KBPBESRZSA-N 307.394 -0.093 30 20 DBED COCC#CCN1CCC(CNC(=O)C[C@H](C)NC(N)=O)CC1 1223183185 URHLAPHZSRQNKR-ZDUSSCGKSA-N 324.425 -0.089 30 20 DBED C#CCCN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCS(=O)(=O)N1 1230164706 SWTLVPWVAQDHCA-UPJWGTAASA-N 313.423 -0.282 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C[C@H]1CCN1Cc1nnn(C)n1 1234215159 JFUCMXRXLOFAMI-NWDGAFQWSA-N 306.370 -0.719 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C[C@H]1CCN1Cc1cnnn1C 1234215564 MSVKGEIKDLDQNP-CHWSQXEVSA-N 305.382 -0.114 30 20 DBED C#CCCCNC(=O)C(=O)NC1CCN(C(=O)CCOC)CC1 1259925611 MJMQXPAWZYIXCF-UHFFFAOYSA-N 323.393 -0.340 30 20 DBED COc1cncnc1NC(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1261461370 JUPQXUBGQUPMBT-ZDUSSCGKSA-N 305.294 -0.699 30 20 DBED C#CCSCCNC(=O)C(=O)N[C@@H]1CCC[C@H]1C(=O)NC 1323044500 CQWJJLMHAOTGIU-GHMZBOCLSA-N 311.407 -0.500 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N[C@@H]1CCN(C(=O)CC)C1 1324013431 UUZQNUXNHLOFKL-CYBMUJFWSA-N 303.362 -0.401 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)NCCc1cn2c(n1)SCC2 1324208692 ACEYXUVEKLQNOW-JTQLQIEISA-N 324.406 -0.035 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)NCCCO[C@H]1CCOC1 1324211973 VHDMIMFVFFYBHJ-NEPJUHHUSA-N 300.355 -0.385 30 20 DBED C#CCSCCNC(=O)C(=O)NCc1ccc(C)n(C)c1=O 1324962758 CBXPQXURAVWEHN-UHFFFAOYSA-N 321.402 -0.207 30 20 DBED N#Cc1ccc(CCNC(=O)C(=O)NC[C@@H]2COCCO2)cc1 1327907626 LCYYMLLVHJCDLL-CQSZACIVSA-N 317.345 -0.251 30 20 DBED Cc1c(C(=O)N[C@](C)(C#N)CN(C)C)nnn1-c1ccn(C)n1 1329595451 BAKUHZYGLKMUTK-CQSZACIVSA-N 316.369 -0.117 30 20 DBED N#CC1CCN(C(=O)C(=O)N2CC[C@@H]3NC(=O)CC[C@H]3C2)CC1 1329646848 DQHIHAMSQVUXFC-STQMWFEESA-N 318.377 -0.124 30 20 DBED C#C[C@@H](NC(=O)C(=O)Nc1ccnc(COC)n1)[C@@H]1CCCO1 1330298721 GQTAAJVFVNHLHY-MNOVXSKESA-N 318.333 -0.142 30 20 DBED COC(=O)N1CC(NC(=O)C(=O)N2CCC[C@H](CC#N)C2)C1 1330984276 VXFYUROBILRPLZ-SNVBAGLBSA-N 308.338 -0.295 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCC[C@@](C)(C(=O)OC)C1 1331629014 IFMWITOXIWWYBI-OAHLLOKOSA-N 310.350 -0.446 30 20 DBED C#CC[C@H](NC(=O)C(=O)NCC(=O)NOC)c1ccccc1 1333158023 SBKCFVKRRDXGJP-LBPRGKRZSA-N 303.318 -0.339 30 20 DBED C=CCNC(=O)Cn1nnnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1334104214 VBBJFOPXQOQVMN-CMPLNLGQSA-N 306.370 -0.021 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2CCC(OC)CC2)C1=O 1336355280 IMXZUFBNZFRNQG-CYBMUJFWSA-N 323.393 -0.131 30 20 DBED C#CCN1CCC[C@H]1c1nnc(N2CCCNC(=O)C2)n1C 1338107752 RHUILBHJXOQEEU-LBPRGKRZSA-N 302.382 -0.089 30 20 DBED N#Cc1cn(CCC(=O)NC[C@@H]2CCC[C@H](O)C2)c(=O)nc1O 1362179081 HAVRZUJRAWGCLB-PWSUYJOCSA-N 320.349 -0.122 30 20 DBED CCn1ccc(CNC(=O)CCn2cc(C#N)c(O)nc2=O)n1 1362758229 OZMRZLUFCVLRCA-UHFFFAOYSA-N 316.321 -0.257 30 20 DBED COCCC(=O)N(C)C[C@H](O)CNC(=O)c1ccc(C#N)[nH]1 1370939132 SLGJGESRKGLJKZ-LLVKDONJSA-N 308.338 -0.528 30 20 DBED C[C@H](CN(C)C(=O)Cc1nc[nH]n1)NC(=O)c1cc(C#N)c[nH]1 1382250245 VJKZYEHYYAOOTA-SECBINFHSA-N 315.337 -0.176 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CCN(C(=O)CCN2CCCC2=O)C1 1385633090 JURBKHYJYDNPKJ-NEPJUHHUSA-N 306.366 -0.124 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H]1CNC(=O)C1(NC(N)=O)CC1 1387353234 PDODQVZMQGHBBH-NXEZZACHSA-N 307.354 -0.546 30 20 DBED CCOc1nnc(CNC[C@@H](O)CNC(=O)[C@H](C)C#N)s1 1401488190 DTQAPTLETXDDKK-RKDXNWHRSA-N 313.383 -0.337 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C)C(=O)c1cnn2c(=O)cc[nH]c12 1408673689 FBCUBEZYFPKICX-VIFPVBQESA-N 316.321 -0.630 30 20 DBED CCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1COCCO1 1411756279 OLCGGYVTQUKHIW-NEPJUHHUSA-N 307.354 -0.015 30 20 DBED C[C@@H](C(=O)N[C@@H](CO)CN1CCCCC1)n1cnc(C#N)n1 1412933278 SHWGPFMFZDRWDH-NWDGAFQWSA-N 306.370 -0.326 30 20 DBED Cc1ccc(C(=O)N2C[C@H](C(N)=O)[C@@H](C(N)=O)C2)cc1C#N 1418597358 ZSGIKLMCNGEYGC-RYUDHWBXSA-N 300.318 -0.475 30 20 DBED N#Cc1ccc(CNC[C@H](O)CNC(=O)[C@H]2CCC(=O)N2)cc1 1420100921 INHUZSLYJMJERA-UONOGXRCSA-N 316.361 -0.596 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)CN2CCCNC2=O)C1 1430165496 JQJTYTVYNBTFOV-DCAQKATOSA-N 307.354 -0.675 30 20 DBED N#CCCN(CCC#N)C(=O)c1cn(C[C@@H]2CNC(=O)O2)nn1 1433621955 XMADMVQXCSCDTE-JTQLQIEISA-N 317.309 -0.344 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](C1CC1)N(C)C(=O)c1cnn(C)n1 1450843572 BHJDVLLCLAFITD-CABZTGNLSA-N 304.354 -0.058 30 20 DBED CNC(=O)NCCC(=O)N[C@]1(C)CCN(C(=O)[C@@H](C)C#N)C1 1453841673 AVXNPBARSXTOPP-IINYFYTJSA-N 309.370 -0.428 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CCN(C(=O)c2cc(=O)n(C)cn2)C1 1454862746 OFNSOPUETRXCJQ-QWRGUYRKSA-N 317.349 -0.482 30 20 DBED N#CC1(CNC(=O)c2ccnc(S(N)(=O)=O)c2)CCOCC1 1472338691 FCGOPJZEKMZALI-UHFFFAOYSA-N 324.362 -0.221 30 20 DBED C=CCn1c(C(N)=O)nnc1N1CCN([C@@H]2CCOC2)CC1 1520295419 AEYLTSFEARYCHY-LLVKDONJSA-N 306.370 -0.526 30 20 DBED C=CCn1c([C@@H](O)COC)nnc1N(C)C[C@H](C)C(=O)NC 1520650016 UYXNPEYFTFHCDG-QWRGUYRKSA-N 311.386 -0.038 30 20 DBED N#Cc1nc(N)n(CC[S@](=O)C(F)(F)F)c1-c1nn[nH]n1 1570922486 KDIHVDNYWQFSDO-NRFANRHFSA-N 320.260 -0.214 30 20 DBED CCOC[C@@H]1CN(c2cnc(C#N)c(-c3nn[nH]n3)n2)CCO1 1578375167 WFEMOUZYAMOSTO-VIFPVBQESA-N 316.325 -0.230 30 20 DBED N#Cc1ccc(CNC(=O)CN2CCN(C3CNC3)CC2)cc1 1580065407 GLQGIQUCSXBATD-UHFFFAOYSA-N 313.405 -0.236 30 20 DBED C#CCN1CCC[C@H](NS(=O)(=O)c2cc(C(=O)O)no2)C1 1588477133 KKCOWCHWMKDHDK-VIFPVBQESA-N 313.335 -0.251 30 20 DBED C=CCNC(=O)CN1C[C@H]2CN(C(=O)[C@H]3C[C@H]3C(=O)O)C[C@H]2C1 1588844070 ARSVWDUJAOQDNT-QNWHQSFQSA-N 321.377 -0.601 30 20 DBED N#CC[C@@H](O)CN1CC[C@@H](Oc2ccc(-c3nn[nH]n3)cn2)C1 1592681720 GWQSSPJPMNOVGC-VXGBXAGGSA-N 315.337 -0.011 30 20 DBED C[C@@]1(C#N)CN(S(=O)(=O)c2cc(C(=O)O)[nH]n2)CCO1 1593743657 XTUBVIWIHQFLNW-SNVBAGLBSA-N 300.296 -0.589 30 20 DBED C=CC[C@H](CO)NC(=O)N[C@@H]1CCCCN(CC(=O)O)C1=O 1602718461 NHUXFBTVAJHYON-GHMZBOCLSA-N 313.354 -0.312 30 20 DBED C#CCN1CCN(C(=O)CN2CC[C@@H](C(=O)O)[C@@H](C)C2)CC1 1602720573 ZBPHATMPDREUNW-UONOGXRCSA-N 307.394 -0.194 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(c2ccnc(C(=O)O)n2)C[C@H]1O 1602906473 GZOROPHXIXQSCF-NXEZZACHSA-N 322.321 -0.957 30 20 DBED CN(C)c1cc(C(=O)N[C@@H](C#N)CO)cc(-c2nn[nH]n2)c1 1604695544 BYSZPTKYARRUFL-JTQLQIEISA-N 301.310 -0.453 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)NC[C@@H]1CCCS(=O)(=O)C1 1649798325 BEHQCDGTWNGBJB-MNOVXSKESA-N 323.440 -0.120 30 20 DBED COCC#CCN(C)C[C@@H]1CCCN(C(=O)CCNC(N)=O)C1 1752524583 FSTGNDLYKPNDSP-AWEZNQCLSA-N 324.425 -0.135 30 20 DBED C#CCNC(=O)CN[C@H](C)CCNC(=O)c1cccc(OC)n1 1753017071 HWCCBYLLWZQTQM-GFCCVEGCSA-N 318.377 -0.062 30 20 DBED N#CCNC(=O)CN1CCO[C@H](CNC(=O)C2(C3CC3)CC2)C1 1753657304 SHHFTRSTAWBYEF-CYBMUJFWSA-N 320.393 -0.367 30 20 DBED C=CCCn1cc(C(=O)N(C)[C@H](C)CNCC(=O)NC)nn1 1753716683 ZAINUZPGUALHKU-LLVKDONJSA-N 308.386 -0.350 30 20 DBED N#CCNC(=O)CNC[C@H](O)CNC(=O)C[C@@H]1C=CCCC1 1753914684 LAKJFTGYBQWAHM-OLZOCXBDSA-N 308.382 -0.561 30 20 DBED C=CCNC(=O)CNC[C@@H](NC(=O)c1ncccn1)C1CC1 1754455090 MDUQHKZVWNMTKV-GFCCVEGCSA-N 303.366 -0.123 30 20 DBED C=CCN(CC=C)C(=O)CN1CC(N(C)C(=O)c2nc[nH]n2)C1 1754583818 LVBYHGZVKJXSGS-UHFFFAOYSA-N 318.381 -0.239 30 20 DBED C#CCN(C(=O)C(N)=O)C1CCN([C@H](C)C(=O)NCC=C)CC1 1754640359 OYSMGZPCOLGNRK-GFCCVEGCSA-N 320.393 -0.911 30 20 DBED C=CCOCC(=O)NC[C@]1(O)CCN(Cc2nncn2C)C1 1754745824 IHJBZNUJMWKGSD-CQSZACIVSA-N 309.370 -0.929 30 20 DBED C#CCN1CCC[C@](CO)(NC(=O)[C@H]2CC(=O)N(CCC)C2)C1 1754859283 TTWXZVRYQASSAA-YOEHRIQHSA-N 321.421 -0.179 30 20 DBED C[C@H]1C[C@@H](NC(=O)C#CC2CC2)CCN1Cc1nc(=O)n(C)[nH]1 1755161555 XQPNIYBNWLSXSJ-AAEUAGOBSA-N 317.393 -0.009 30 20 DBED C#CCNCC(C)(C)CN(C)C(=O)CCc1nnc(O)nc1O 1755281365 HUBCOWKDZJRGBZ-UHFFFAOYSA-N 321.381 -0.077 30 20 DBED COCC#CCN1CC(CCO)(NC(=O)c2cc[n+]([O-])cc2)C1 1755330575 VUUZNICBSCOLDS-UHFFFAOYSA-N 319.361 -0.864 30 20 DBED C=CCNC(=O)CN1CC([C@@H](C)NC(=O)Cn2ccnc2)C1 1755391450 FCJARTSPHMTTQP-GFCCVEGCSA-N 305.382 -0.378 30 20 DBED C=CCNC(=O)CNC[C@@H](O)CN(C)C(=O)c1cncc(F)c1 1755776155 AWZGUDZVLIZDDE-CYBMUJFWSA-N 324.356 -0.455 30 20 DBED COCC#CCNC[C@@H](O)CN(C)C(=O)COC(C)(C)C 1755776409 DYHGWWRJSDXZRY-CYBMUJFWSA-N 300.399 -0.140 30 20 DBED C#CCOCCC(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1756250067 FBQYNVHKQYLALF-FDYHWXHSSA-N 323.349 -0.298 30 20 DBED C[C@H](C#N)C(=O)N(C)CCOCCNC(=O)CN1CCCC1 1756374987 IHPOPPBBCZOHPV-CYBMUJFWSA-N 310.398 -0.167 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCCN(C(=O)CC(=O)NC)[C@H]1C 1756624361 KEQBHNUUYBEWNT-QWHCGFSZSA-N 323.393 -0.342 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H](O)CN(C)C(=O)c1ccco1 1756649701 BEKJNVKFCPLGSG-RYUDHWBXSA-N 308.334 -0.133 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H](O)CN(C)C(=O)[C@H](C)CC 1756654226 TVDHJBZKFNVCAG-VXGBXAGGSA-N 311.382 -0.893 30 20 DBED C#CCOCCC(=O)N1C[C@@H](NC(=O)c2nc[nH]n2)CC[C@@H]1C 1756803741 PSEDUMDFMRYQKR-RYUDHWBXSA-N 319.365 -0.046 30 20 DBED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)n3cncn3)C2)C1 1784478386 CAHPMAPGPHBNQX-WFASDCNBSA-N 317.349 -0.698 30 20 DBED C#CCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)=O)C2 1800992128 MTDKGRDDALDTOR-AGGWBTHJSA-N 306.362 -0.032 30 20 DBED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@H]1C[C@@H](O)C1)C2 1841600896 YLMXHVLUXOINJO-MCIONIFRSA-N 320.389 -0.001 30 20 DBED O=C(O)C#CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc[nH]n1 1847897121 HRARCFUOPSVBLB-QWRGUYRKSA-N 302.290 -0.687 30 20 DBED N#CCCN(CCN1CCOCC1)CC(=O)N1CCOCC1 78681350 RLLNFECBUURZNW-UHFFFAOYSA-N 310.398 -0.607 30 20 DBED Cn1c(NCC2CCN(CCO)CC2)c(C#N)c(=O)n(C)c1=O 105791663 DKONSKUFEFDFPL-UHFFFAOYSA-N 321.381 -0.928 30 20 DBED C=CCN1CCC(NC(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)CC1 177239689 LZMZPINWEHMFED-STQMWFEESA-N 310.398 -0.031 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(Cc2cccnc2)c1=O 193020482 DFWBUQQJXHZHSW-UHFFFAOYSA-N 300.318 -0.013 30 20 DBED C=CCN(C(=O)[C@@H]1CC[C@H](C(=O)O)O1)[C@H]1CCS(=O)(=O)C1 262278545 ILXUQYNABPXGJI-GARJFASQSA-N 317.363 -0.180 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)N2CC[C@H](C(N)=O)C2)cc1 263804967 RLYKYQUFTFSMOG-LBPRGKRZSA-N 300.318 -0.378 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC=C(COC)CC2)C1=O 274692839 QUOPURFNUWQGFQ-UHFFFAOYSA-N 321.333 -0.232 30 20 DBED Cc1cccc(S(=O)(=O)NC[C@H]2CC(C(N)=O)=NO2)c1C#N 275882448 MDVYSUKGEBVUFP-SECBINFHSA-N 322.346 -0.225 30 20 DBED C#CCCCC(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 277397630 RYAVXBWFKFILBI-UHFFFAOYSA-N 319.365 -0.721 30 20 DBED C#CCOc1ccc(C(=O)NCCC(=O)NS(C)(=O)=O)cc1 277441506 JICOBSLVNOQCKX-UHFFFAOYSA-N 324.358 -0.106 30 20 DBED C[C@H](O)CN(CCO)CCS(=O)(=O)c1ccc(C#N)cn1 289372413 BLUYLLDVEAEDSE-NSHDSACASA-N 313.379 -0.598 30 20 DBED C#CCNC(=O)CCN(C)C[C@H](O)CNC(=O)OC(C)(C)C 296897101 VQBQESGOUNUIAU-GFCCVEGCSA-N 313.398 -0.057 30 20 DBED CC(C)(C)C[C@@H](CO)NS(=O)(=O)N1CCO[C@H](C#N)C1 336880293 BZIZKXHLUZPBBL-WDEREUQCSA-N 305.400 -0.158 30 20 DBED C=CC[C@H](CO)NC(=O)C(=O)Nc1nn(C(C)C)cc1C#N 337272411 BTJGADLSPCEIAD-LLVKDONJSA-N 305.338 0.327 30 20 DBED COC(=O)[C@@H]1CN(S(=O)(=O)CC2(C#N)CC2)C[C@@H](C)O1 337983753 KDNPKOIHHKBJCP-ZJUUUORDSA-N 302.352 -0.118 30 20 DBED N#C[C@H]1CN(S(=O)(=O)N2CCC[C@@H](CO)CC2)CCO1 339127186 XPWCZASVDLSUEY-NEPJUHHUSA-N 303.384 -0.450 30 20 DBED C=CCCN(C)C(=O)C(=O)NCCS(=O)(=O)N(CC)CC 343878496 ULKNEFUAUITZBW-UHFFFAOYSA-N 319.427 -0.191 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)[C@H]2CC[C@@H](C(=O)OC)O2)C1=O 356341751 LMPKWZGUAGTDRL-TUAOUCFPSA-N 310.350 -0.048 30 20 DBED CC1CCN(C[C@@H](O)CNC(=O)NCC(=O)NCC#N)CC1 358286864 BOWCGFCQOUSXGI-LBPRGKRZSA-N 311.386 -0.982 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N1CC[C@@H]2COC(=O)N[C@H]2C1 374439666 BCHKLKHYMUYOAJ-MXWKQRLJSA-N 316.383 -0.247 30 20 DBED C=CCNC(=O)NC(=O)CN1CCN(C)C[C@@H](C(=O)OC)C1 411912828 VUFLFCFJJVPVOG-LLVKDONJSA-N 312.370 -0.965 30 20 DBED Cc1cc(NC(=O)C(=O)N[C@@H](CO)C(C)(C)C)nn1CCC#N 440394779 AHHBDULRUANGKH-NSHDSACASA-N 321.381 0.567 30 20 DBED C#CCN1CCC(C(=O)N2CCC[C@H](S(N)(=O)=O)C2)CC1 490897708 DVNYOSDLAOZDLX-ZDUSSCGKSA-N 313.423 -0.389 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@H](O)c2cccnc2)CC1 491126612 QKLBUUQOBAQUPB-OAHLLOKOSA-N 316.361 -0.991 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)Cn2cc(C)cn2)CC1 491127977 YPMJVIZWNUGAKH-UHFFFAOYSA-N 303.366 -0.915 30 20 DBED CN(CCCNC(=O)CN1CC(C)(C#N)C1)S(C)(=O)=O 568168483 IXLNYJJQDGNMJH-UHFFFAOYSA-N 302.400 -0.770 30 20 DBED C[C@H](Cc1ccc(C#N)cc1)C(=O)N(CC(N)=O)CC(N)=O 594271063 KDOUCDYGLFOPOD-SNVBAGLBSA-N 302.334 -0.464 30 20 DBED N#CCN1CCC(NC(=O)C(=O)N2C[C@@H]3CCC[C@]3(N)C2)CC1 598684018 JMBCJNKEAHULNF-LRDDRELGSA-N 319.409 -0.570 30 20 DBED N#Cc1ccccc1OC[C@H](O)CNC[C@H](O)Cn1ccnn1 600745034 CSTVAOOBAUODAE-UONOGXRCSA-N 317.349 -0.460 30 20 DBED CN1CCN(S(=O)(=O)c2ccsc2C#N)[C@H](CO)C1 601469810 VFGDZGYBVFKCMJ-VIFPVBQESA-N 301.393 -0.083 30 20 DBED N#Cc1ncn(CC(=O)N2CCC[C@@H](C(=O)NCC3CC3)C2)n1 603908987 MVWBGPDBYCEAOE-GFCCVEGCSA-N 316.365 -0.085 30 20 DBED CC(C)[C@@H](C#N)N1CCN(C(=O)Cn2cccnc2=O)CC1 609458389 RIFWJCCTEKOHFO-CYBMUJFWSA-N 303.366 -0.064 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N[C@H]2CC[C@@H](CO)CC2)CCO1 619712679 BDQWSQNXJKCCOQ-GRYCIOLGSA-N 303.384 -0.404 30 20 DBED CC#CC[C@H](CO)NC(=O)COCC(=O)NCc1cccnc1 649188696 PWACWTMGIAORQP-CQSZACIVSA-N 319.361 -0.395 30 20 DBED NC(=O)CNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 726342881 BUXLDQZGWYUBLM-UHFFFAOYSA-N 324.362 -0.893 30 20 DBED C[C@H](OC(=O)C#Cc1ccc2c(c1)OCO2)C(=O)NC(N)=O 761215343 OVVOEHDGGDYTSL-QMMMGPOBSA-N 304.258 -0.107 30 20 DBED COCC#CCOC(=O)[C@H](C)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 762839171 QVRBGDIWGYVDGM-CKIKVBCHSA-N 321.329 -0.270 30 20 DBED COCC#CCOC(=O)[C@H](C)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 762839174 QVRBGDIWGYVDGM-ZOLYEBIHSA-N 321.329 -0.270 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)NC[C@@H](O)c2ccccc2)CCO1 800057135 VJTKAYWZEQIXDI-CHWSQXEVSA-N 311.363 -0.221 30 20 DBED C#C[C@H](NC(=O)C(=O)N(C)CCNC(=O)N(C)C)[C@@H]1CCCO1 809312179 LKJHJMWHHHCGLY-RYUDHWBXSA-N 324.381 -0.987 30 20 DBED C#CCONC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 812784391 LMIPFYVVSQDZRI-SNVBAGLBSA-N 307.331 -0.094 30 20 DBED C#CCOCCC(=O)OCc1c(N(C)C)n(C)c(=O)n(C)c1=O 814062382 IPYHCXBBROBQQI-UHFFFAOYSA-N 323.349 -0.767 30 20 DBED C#CC[C@@H](CO)NC(=O)c1ccc(OCC(N)=O)c(OC)c1 820054900 SPQYDKUXPHQWIO-NSHDSACASA-N 306.318 -0.327 30 20 DBED O=C(CNS(=O)(=O)c1ccc2c(c1)OCCCO2)NO 843042888 BSFKATGKEROSCK-UHFFFAOYSA-N 302.308 -0.368 30 20 DBED Cc1ccc(C(=O)N[C@@H]2CNC[C@@H]2C#N)cc1S(N)(=O)=O 843461469 LNPCYWJLGVAKCJ-WDEREUQCSA-N 308.363 -0.516 30 20 DBED C#CC[C@@H](CO)NC(=O)c1ccc(CCNS(C)(=O)=O)cc1 854548053 PHLXSCGSFGUUFN-AWEZNQCLSA-N 324.402 -0.108 30 20 DBED C#Cc1ccc(C(=O)N2CCCC[C@H]2CNS(N)(=O)=O)nc1 854839032 BBHRNVLXRAXJBG-LBPRGKRZSA-N 322.390 -0.149 30 20 DBED C=CCNC(=O)[C@@H](C#N)C(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1 860471614 ODPNXYBQZXLIDF-JQWIXIFHSA-N 315.333 -0.216 30 20 DBED CCN(C[C@H](C)C#N)C(=O)COC(=O)CN(C)S(C)(=O)=O 919083387 UDIMVZVWPWTMEQ-SNVBAGLBSA-N 319.383 -0.571 30 20 DBED C[C@H](OC(=O)[C@H](C)N1C(=O)CCC1=O)C(=O)N(C)CCC#N 919261537 WRQQOUNRVNPQQL-UWVGGRQHSA-N 309.322 -0.172 30 20 DBED C[C@H]1C[C@@H](NC(=O)NCC#CCO)C(=O)N1c1cnn(C)c1 923777354 IPUBWZDLCBGSDW-CMPLNLGQSA-N 305.338 -0.791 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2cn(C)c(=O)nc2O)[C@H](C)C1 944904954 AGTGNFPRLWFZDN-DGCLKSJQSA-N 318.377 -0.051 30 20 DBED C[C@H]1CCCN(C(=O)C(N)=O)[C@@H]1CNC(=O)c1c[nH]c(C#N)c1 945804255 YGCNNKZMSGIGCM-JOYOIKCWSA-N 317.349 -0.271 30 20 DBED C=CCN1CC[C@H](N2CCN(C(=O)C(C)(C)C(N)=O)CC2)C1=O 948882202 CBZJTMWTFWKCAK-LBPRGKRZSA-N 322.409 -0.571 30 20 DBED C=CCN1CCN(C(=O)c2ccc(=O)n(CCOC)n2)CC1 949188102 HLILPNOWMGEOEG-UHFFFAOYSA-N 306.366 -0.167 30 20 DBED Cn1nncc1C(=O)N1CC[C@@H]1CNC(=O)c1cc(C#N)c[nH]1 949282871 BATRMNCABHPJJN-SNVBAGLBSA-N 313.321 -0.341 30 20 DBED C=CCn1cc(C(=O)N2CCN([C@H]3CCNC3=O)CC2)nn1 951559563 CGTUGOHWWAFHJJ-LBPRGKRZSA-N 304.354 -0.890 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)C1(C(N)=O)CC1 952175620 LVXRYNKDEYKMHW-TUAOUCFPSA-N 321.377 -0.440 30 20 DBED CN(C(=O)[C@]1(C)CCNC(=O)C1)C1CN(C(=O)C#CC2CC2)C1 954647198 IWUAKTBDXGCBSY-QGZVFWFLSA-N 317.389 -0.015 30 20 DBED Cn1ncc(C2CC2)c1C(=O)NC[C@H]1CN(CC#N)C[C@H]1O 958122123 QETAYTLAASKZEH-WCQYABFASA-N 303.366 -0.156 30 20 DBED CC#CCN1C[C@H](O)[C@H](CNC(=O)c2cn3c(n2)COCC3)C1 958179636 PWFHDEAHJVAIDV-OCCSQVGLSA-N 318.377 -0.541 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2cc(=O)c(OC)c[nH]2)C1 958264839 XWRDEIAHVGQDDN-MFKMUULPSA-N 305.334 -0.961 30 20 DBED C=CCN1C[C@@H](O)[C@H](CNC(=O)c2ccc(=O)n(CCC)n2)C1 958662539 VDCFLKQHVKYOCU-TZMCWYRMSA-N 320.393 -0.138 30 20 DBED N#CCN1C[C@@H](O)[C@H](CNC(=O)c2ccc3nn[nH]c3c2)C1 958662687 XQDRPMPABRZSCS-ZWNOBZJWSA-N 300.322 -0.496 30 20 DBED CC#CCN1C[C@H](O)[C@H](CNC(=O)c2cccnc2C(N)=O)C1 958715847 IUNZFJJUBPQXCY-YPMHNXCESA-N 316.361 -0.774 30 20 DBED CC#CCN1C[C@H]2C(NC(=O)CN3C(=O)CC(C)(C)C3=O)[C@@H]2C1 959916537 XKGCRPFSFNHFJD-VXGBXAGGSA-N 317.389 -0.159 30 20 DBED O=C(N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O)c1cnccn1 961262342 ZSSASNVLUVHIEE-OLZOCXBDSA-N 300.318 -0.809 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CCC(=O)NC3)C[C@@H]2C1 961898220 AHTQIUCFTQLWGJ-QNWHQSFQSA-N 318.377 -0.411 30 20 DBED C#CCOc1ncccc1C(=O)NC1[C@@H]2CN(CC(N)=O)C[C@@H]12 962329409 FHFOZVSAOLIVJS-VXGBXAGGSA-N 314.345 -0.761 30 20 DBED CC(C)[C@@H](O)C(=O)N1CCN(C2CN(C(=O)[C@H](C)C#N)C2)CC1 967213882 ZJCFBRIVMXGOIG-TZMCWYRMSA-N 322.409 -0.482 30 20 DBED C=C(C)CN1CC([C@@H](C)NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 970518925 QQCXFTJCSSEGNN-LLVKDONJSA-N 320.393 -0.290 30 20 DBED Cn1cc(C(=O)N[C@H]2C[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)nn1 974048760 CBGSHSWVYBXURY-AOOOYVTPSA-N 313.321 -0.294 30 20 DBED C=C(C)CCN1CCCN(C(=O)CN2CCNC(=O)C2)CC1 981742711 JIRMIWMOUNTVLR-UHFFFAOYSA-N 308.426 -0.081 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](CNC(=O)c2nnc(O)nc2O)C1 983218358 XMVBGFQOVVQGNQ-HTQZYQBOSA-N 320.309 -0.979 30 20 DBED C[C@@H]1[C@H](NCc2nnn(C)n2)CCN1C(=O)c1cc(C#N)c[nH]1 986129332 DFBLPACWKGHUBN-MWLCHTKSSA-N 314.353 -0.197 30 20 DBED C#CCCN1CCCN(C(=O)[C@H]2CN(C(C)=O)CCO2)CC1 989585924 CRBLIBBRRWIANM-OAHLLOKOSA-N 307.394 -0.209 30 20 DBED N#CCN1CC[C@]2(NC(=O)Cn3cnc(C(N)=O)n3)CCC[C@@H]12 990766579 WFICKOHVWNQMEK-QMTHXVAHSA-N 317.353 -0.986 30 20 DBED O=C(N[C@H]1CCN(C(=O)C#CC2CC2)C[C@H]1O)c1cnsn1 991307705 MOUSNFJZISKXCT-CMPLNLGQSA-N 320.374 -0.357 30 20 DBED CC(C)C(=O)N[C@@H]1CC(=O)N(C2CN(C(=O)[C@H](C)C#N)C2)C1 995468790 LVFOMFRMTJBTGI-GHMZBOCLSA-N 306.366 -0.270 30 20 DBED C#CCNC1CC(N(C)C(=O)c2ccc(=O)n(CCOC)n2)C1 999075957 CGABCNNNHYXVTB-UHFFFAOYSA-N 318.377 -0.285 30 20 DBED Cn1ccc(C(=O)NCC2CN(C(=O)C#CC3CC3)C2)cc1=O 1003072953 YBIFQPKXBXTYRW-UHFFFAOYSA-N 313.357 -0.013 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC(CNC(=O)c2nc[nH]n2)C1 1003687287 JAWOMDSCKPTFNB-LBPRGKRZSA-N 316.365 -0.910 30 20 DBED CC(=O)N1CC(C(=O)N[C@H](C)C2CN(C(=O)C#CC3CC3)C2)C1 1005971328 DNKIKMNCWOAUEL-LLVKDONJSA-N 317.389 -0.159 30 20 DBED CC1(C)CC(=O)N(CC(=O)N[C@H]2CCCN(CC#N)C2)C1=O 1007332860 KYLYWNCGWMJQFJ-NSHDSACASA-N 306.366 -0.124 30 20 DBED C[C@H](C#N)C(=O)N1CCCO[C@@H](CNC(=O)c2cnccn2)C1 1019519079 ITQMNFGKVWDXCO-NEPJUHHUSA-N 317.349 -0.016 30 20 DBED C[C@H](C#N)C(=O)N1CCCO[C@H](CNC(=O)c2ccncn2)C1 1019654350 TZZQOEKJIRZGNR-VXGBXAGGSA-N 317.349 -0.016 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)[C@@H]2C1 1022549080 TUJPCMMNYCTALC-SDDRHHMPSA-N 320.393 -0.061 30 20 DBED O=C(N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O)c1cnsn1 1023123731 NETCLUQBWLDXGN-GHMZBOCLSA-N 306.347 -0.747 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)c3cocn3)C[C@H]2O)[nH]1 1023429015 KSHHESFNNFVBJZ-ZYHUDNBSSA-N 315.289 -0.510 30 20 DBED C#CCN[C@@H]1CC[C@@H]2CN(C(=O)c3nnc(O)nc3O)C[C@@H]21 1026304024 IWGAVCNPIPOPPO-KXUCPTDWSA-N 303.322 -0.644 30 20 DBED C#CCCN1CC[C@H](CNC(=O)c2nc(O)nc(O)c2OC)C1 1028926158 KDQYYNMDJBWNIP-SNVBAGLBSA-N 320.349 -0.029 30 20 DBED CC#CCN1[C@H]2CC[C@H]1CN(C(=O)C[C@@H]1NC(=O)NC1=O)C2 1029342008 ONGIXGUAZVMXSY-SRVKXCTJSA-N 304.350 -0.717 30 20 DBED CN1C[C@@H](C(=O)NC2CN(Cc3ccc(C#N)cc3)C2)NC1=O 1030793338 NIDPLRSRJRMVBK-AWEZNQCLSA-N 313.361 -0.118 30 20 DBED C=C(Cl)CN1CC(CNC(=O)c2cn(CC(N)=O)nn2)C1 1032206384 YZHSKXDWOIAGFT-UHFFFAOYSA-N 312.761 -0.823 30 20 DBED C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)CN1C(=O)C(=O)N(C)C1=O 1032661584 CAYABNUEPTTYQO-QWRGUYRKSA-N 320.349 -0.732 30 20 DBED C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCN(C)S1(=O)=O 1032677253 YSARAHVZCMDIFA-RWMBFGLXSA-N 311.407 -0.671 30 20 DBED C=CCn1cc(C(=O)N(C)[C@@H]2CCN([C@@H](CC)C(N)=O)C2)nn1 1033482657 ALZPKJXNVIPVFF-YPMHNXCESA-N 320.397 -0.126 30 20 DBED C=CCCn1cc(C(=O)NC[C@@H]2CN(C[C@H](C)O)CCO2)nn1 1035534516 ADIQSQPYIFVXJF-QWHCGFSZSA-N 323.397 -0.334 30 20 DBED C#CCCN1CCO[C@H](CNC(=O)c2cncc(OC)n2)C1 1035537102 LVMPGMAIHPKIKH-GFCCVEGCSA-N 304.350 -0.061 30 20 DBED C#CCN1CCO[C@H](CNC(=O)c2ccc(C(N)=O)s2)C1 1035543021 VDRDZUTZZULIAL-SNVBAGLBSA-N 307.375 -0.089 30 20 DBED C#CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)c1ccc(OCC(N)=O)cc1 1037507635 SVMFNMMNOAVFFT-INWMFGNUSA-N 313.357 -0.014 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@@H]2CCN2Cc2nc(O)n[nH]2)c1 1038141736 XZGICWUGNMGXFP-VIFPVBQESA-N 301.310 -0.286 30 20 DBED C#CCN1CC[C@@H]1CNC(=O)c1cccc(OCC(N)=O)c1 1038319795 BEAHCFBWMAXUHF-CYBMUJFWSA-N 301.346 -0.012 30 20 DBED C#CCOc1ccc(C(=O)NC[C@H]2CCN2CC(N)=O)cc1 1038777224 CUGKZCMZSMGUDQ-CYBMUJFWSA-N 301.346 -0.012 30 20 DBED CCn1nncc1C(=O)NC[C@]1(O)CCN(C(=O)[C@@H](C)C#N)C1 1039642859 NFAUVPMFWCYBTR-IINYFYTJSA-N 320.353 -0.849 30 20 DBED C#CCCCC(=O)N1CC[C@@](O)(CNC(=O)C(C)(C)C(N)=O)C1 1040121197 YPGLXOUYDBWIKH-MRXNPFEDSA-N 323.393 -0.619 30 20 DBED C#CCC1(C(=O)N2CC(O)(CNC(=O)CCOC)C2)CCC1 1041069969 JLCPGRYJKKFPCC-UHFFFAOYSA-N 308.378 -0.094 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@]2(CCN(Cc3nc(=O)n(C)[nH]3)C2)C1 1041146365 MHYSZAGBIKORGE-NHYWBVRUSA-N 318.381 -0.308 30 20 DBED COCCCC(=O)NCC1(O)CN(C(=O)c2cc(C#N)c[nH]2)C1 1041673879 WCWKNTUQJYOPRN-UHFFFAOYSA-N 320.349 -0.384 30 20 DBED C=CCCOCC(=O)N1CC(O)(CNC(=O)C[C@@H](C)OC)C1 1041948157 JTECANVPOLBVPZ-GFCCVEGCSA-N 314.382 -0.306 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)/C=C/c2ccc[nH]2)C1 1042039552 BOPDFEVDQVZZQQ-AATRIKPKSA-N 319.361 -0.080 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)c2cnnc(O)c2)C1 1042801562 MYDPOUJFAWNBFO-UHFFFAOYSA-N 318.333 -0.711 30 20 DBED Cn1cc(C(=O)N[C@@H]2CN(c3ccc(C#N)nn3)C[C@@H]2O)cn1 1043856179 RHGFYWUFBVABME-NEPJUHHUSA-N 313.321 -0.939 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)c2cnnn2C)C1 1044456502 UUOFJKUHUPJGRY-UHFFFAOYSA-N 307.354 -0.670 30 20 DBED CCOC1CC(C(=O)N2CC(O)(CNC(=O)[C@H](C)C#N)C2)C1 1045541638 ZQZLJPGPWOZGLZ-VOMCLLRMSA-N 309.366 -0.349 30 20 DBED C[C@@H](C#N)C(=O)N1CCN([C@@H]2CCN(CC(=O)N(C)C)C2)CC1 1046011723 GJJSKPFRWHWNBI-UONOGXRCSA-N 321.425 -0.547 30 20 DBED C=C(C)CN1CC[C@H](N2CCN(C(=O)c3nnn(C)n3)CC2)C1 1046055358 PBQWMJZFNKPCSQ-ZDUSSCGKSA-N 319.413 -0.382 30 20 DBED C=C(C)C[C@@H](C)C(=O)N1CC(O)(CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 1046736826 IPJRCNLHDFKXCB-UTUOFQBUSA-N 323.393 -0.600 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cc3n(n2)CCCO3)C1 1047453436 YDGAHXDYHYFNBM-STQMWFEESA-N 304.350 -0.584 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)COCC2CC2)C1 1048361871 KZEBEOAIXZHHSG-WXHSDQCUSA-N 309.366 -0.397 30 20 DBED CC(C)C#CC(=O)N(C)[C@H]1CN(C(=O)c2ccncn2)C[C@@H]1O 1048810924 KDUJNCSFSDDYQB-KBPBESRZSA-N 316.361 -0.220 30 20 DBED COC[C@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C#CC(C)C)C1 1048811161 PBIGQNXGMXDLCP-IHRRRGAJSA-N 310.394 -0.042 30 20 DBED C#CCN1C[C@H]2CN(C(=O)c3cc(C(N)=O)cn3C)C[C@H]2C1 1048921429 ZCCGRLJROKAJLM-BETUJISGSA-N 300.362 -0.239 30 20 DBED C=CCO[C@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cnon2)C1 1049295935 GGSCREMWJFKSPT-USWWRNFRSA-N 324.337 -0.696 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)[C@H]1CCN(C(=O)C2CC2)C1 1049685986 NLTYQQPKVCFKOS-AAEUAGOBSA-N 305.378 -0.111 30 20 DBED CC(C)C#CC(=O)N1CC[C@H]([C@H](C)NC(=O)Cn2cnnn2)C1 1050640850 HHTFJTOADQXEFO-STQMWFEESA-N 318.381 -0.314 30 20 DBED N#Cc1ccc(N2CC[C@H](NC(=O)c3nc[nH]n3)[C@H](O)C2)cn1 1051712290 LDNIWNDXJCJXEI-NWDGAFQWSA-N 313.321 -0.559 30 20 DBED C#CCCN1CCN([C@@H]2CCN(C(=O)c3cnnn3C)C2)CC1 1052021801 GBDYJNMVYTUFFM-CQSZACIVSA-N 316.409 -0.330 30 20 DBED N#Cc1cncc(NC2CC(CNC(=O)[C@H]3CNC(=O)N3)C2)n1 1052072573 KXVGNZSQGZGOOZ-NWGYLPEXSA-N 315.337 -0.664 30 20 DBED N#CCN1CC2(C1)CN(C(=O)CN1CCCCCC1=O)CCO2 1053527034 GXUYRTLTBQJSHT-UHFFFAOYSA-N 320.393 -0.174 30 20 DBED C#CCCN1CC2(CC[C@@H](CNC(=O)[C@H]3CCNC(=O)C3)O2)C1 1053590824 QLXXUURRJMFRON-KBPBESRZSA-N 319.405 -0.115 30 20 DBED C=CCN1CC2(C[C@@H](NC(=O)c3ccc4nnnn4c3)CO2)C1 1053869293 JDZCPYBLWRYGLL-GFCCVEGCSA-N 314.349 -0.117 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)[C@@]3(C)CNC(=O)C3)CO2)C1 1053879354 OLYZSFXVNNEGPZ-IUODEOHRSA-N 305.378 -0.505 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)c3c[nH]c(=O)cn3)CO2)C1 1053908917 DSQKEVAEDZFPJF-LLVKDONJSA-N 302.334 -0.634 30 20 DBED C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1NCc1nnnn1C 1054559622 LCEHGLZLOMLFKA-BXKDBHETSA-N 314.353 -0.340 30 20 DBED CCNC(=O)CC(=O)N1CCC[C@@](CO)(NC(=O)[C@@H](C)C#N)C1 1056094985 ZMMQQJHQBCUWQO-XHDPSFHLSA-N 324.381 -0.858 30 20 DBED CCN(C)CCC(=O)N1CCC[C@@](CO)(NC(=O)[C@@H](C)C#N)C1 1056096890 LPALTGLGQXPRDZ-XJKSGUPXSA-N 324.425 -0.042 30 20 DBED N#Cc1nccc(N2C[C@@H]3C(NC(=O)c4ccc(O)nn4)[C@H]3C2)n1 1056114150 NIVOXNMSWYVUGU-IUCAKERBSA-N 323.316 -0.292 30 20 DBED N#Cc1cnc(N2C[C@@H]3C(NC(=O)Cn4ccnc4)[C@H]3C2)cn1 1056245473 NTTXEEKHBZGGIU-RYUDHWBXSA-N 309.333 -0.204 30 20 DBED N#Cc1nccnc1N[C@@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 1056744704 DGHTZBXXBYEENJ-ZJUUUORDSA-N 300.322 -0.503 30 20 DBED C=C(C)C(C)(C)C(=O)NCCN(CCO)C(=O)CNC(N)=O 1056919030 CYEUMWJKPGNUHP-UHFFFAOYSA-N 314.386 -0.806 30 20 DBED Cc1ncoc1C(=O)NCCN(CCO)C(=O)C#CC1CC1 1057531406 MUPCVCQGTGSEQF-UHFFFAOYSA-N 305.334 -0.053 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)c1ccc(C)nn1 1057542855 OMAVNINTRTXJNG-UHFFFAOYSA-N 322.365 -0.462 30 20 DBED C=CCCOCC(=O)N(CCO)CCNC(=O)[C@H]1CCOC1 1057919054 KVIFCFHJVQFQGH-ZDUSSCGKSA-N 314.382 -0.447 30 20 DBED CCc1cc(C(=O)N(CCO)CCNC(=O)[C@H](C)C#N)no1 1058233276 COTXVCWLHDWJIG-SNVBAGLBSA-N 308.338 -0.053 30 20 DBED N#Cc1cncc(N2CC[C@@H](NC(=O)[C@H]3COC(=O)N3)C2)n1 1058350981 XMUWEVPOPISMRV-PSASIEDQSA-N 302.294 -0.848 30 20 DBED N#Cc1nccnc1N1CC[C@H](NC(=O)[C@H]2CCCC(=O)N2)C1 1058473442 XQRCFWHIHLNBQN-WDEREUQCSA-N 314.349 -0.288 30 20 DBED Cn1c(C(=O)N[C@H]2CCN(c3cncc(C#N)n3)C2)cnc1O 1058507819 OAJJQEWSADLMAA-VIFPVBQESA-N 313.321 -0.204 30 20 DBED C[C@H](C(=O)N[C@H]1C[C@H](N=c2cc[nH]c(C#N)n2)C1)n1cncn1 1059187111 VXBSGJOFJCDLEC-GMTAPVOTSA-N 312.337 -0.318 30 20 DBED O=C1N[C@@H](C(=O)NCC[C@H]2CCN(C(=O)C#CC3CC3)C2)CO1 1059620517 BOYIIJWTQMNJQJ-QWHCGFSZSA-N 319.361 -0.137 30 20 DBED N#Cc1nc(=N[C@H]2C[C@@H](NC(=O)[C@@H]3CCC(=O)NC3)C2)cc[nH]1 1059878692 FCHMHPNSXLLIRT-MXWKQRLJSA-N 314.349 -0.645 30 20 DBED C=C(C)CCC(=O)NC[C@H]1COCCN1C(=O)CNC(C)=O 1061629319 QSSHJHLVVQXPEN-ZDUSSCGKSA-N 311.382 -0.178 30 20 DBED Cc1cc(C(=O)N2CCOC[C@@H]2CNC(=O)[C@H](C)C#N)nn1C 1061848207 XFIQRWMDAACFPG-PWSUYJOCSA-N 319.365 -0.155 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)c1cnc(O)n1C 1061851969 SBVRQEAUYKJXJR-UWVGGRQHSA-N 321.337 -0.757 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(NC(=O)c2cn(C)nn2)CCC1 1062869711 JIMZTWHXLFLKHZ-AWEZNQCLSA-N 321.381 -0.089 30 20 DBED N#Cc1cnc(NC[C@H]2CCCN2C(=O)[C@H]2COC(=O)N2)cn1 1063478444 CJAHHDFVZXBJQF-GHMZBOCLSA-N 316.321 -0.140 30 20 DBED CC(=O)N1CC(C(=O)NC2(CNC(=O)[C@H](C)C#N)CCC2)C1 1064302955 XNGAERHLMJNKQK-SNVBAGLBSA-N 306.366 -0.221 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@H](N2CCN(C(C)=O)CC2)C1 1065703924 HGTGNKUUVSLVDC-HIFRSBDPSA-N 307.394 -0.210 30 20 DBED N#Cc1nccnc1N1CCOC[C@@H]1CNC(=O)[C@H]1CCCO1 1066457223 FCMSVYGKQIKIPM-WCQYABFASA-N 317.349 -0.151 30 20 DBED C=C(C)C[C@@H](C)C(=O)N1CCOC2(CN(C(=O)C(N)=O)C2)C1 1068435327 QXVVZMRNMWEYPM-LLVKDONJSA-N 309.366 -0.486 30 20 DBED C=CCCC(=O)N1CC2(C[C@@H](NC(=O)[C@@H]3CCC(=O)N3)CO2)C1 1068940614 ZOHSYBHGEYKWCX-NEPJUHHUSA-N 321.377 -0.283 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)[C@H]2CCC(=O)N2)CCOCC1 1070231211 PRDFKPCKRLZWMK-GHMZBOCLSA-N 322.365 -0.794 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@@H]2CCOC2)C[C@H]1c1cncn1C 1070625884 DRZFYZTXWLUWPX-MGPQQGTHSA-N 302.378 -0.026 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)c2ccccn2)CC1 1070931167 IYRXJBYOGOGAQZ-UHFFFAOYSA-N 300.362 -0.021 30 20 DBED C#CCN1CC[C@]2(C1)CN(C(=O)C1CN(C(C)=O)C1)C[C@H](C)O2 1071159043 GPSWZXGCYIQVBH-GUYCJALGSA-N 319.405 -0.210 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)C#CC2CC2)C1 1071936421 PBOKSIQAFCYGGM-OCCSQVGLSA-N 315.373 -0.498 30 20 DBED COC[C@H](C)C(=O)N1CCN(C2CN(C(=O)[C@H](C)C#N)C2)CC1 1073553431 XNOFZKLDWUFULT-OLZOCXBDSA-N 322.409 -0.216 30 20 DBED CN1CCCC[C@@H](C(=O)NC[C@@H]2CN(CC#N)CCCO2)C1=O 1073854146 XQOFCUIRPGRSIM-KGLIPLIRSA-N 322.409 -0.024 30 20 DBED C#CCCN1CCO[C@H]2CCN(C(=O)c3nnn(C)n3)C[C@H]21 1074317230 LZMHIWPOIYHMAS-NEPJUHHUSA-N 304.354 -0.851 30 20 DBED N#CCN1C[C@@H]2CCN(C(=O)c3coc(S(N)(=O)=O)c3)[C@@H]2C1 1075962843 SNCMLQFMYRXHQE-GXSJLCMTSA-N 324.362 -0.403 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)CSCC#N 1076217980 QPPZMDOVSHMFGH-NSHDSACASA-N 324.406 -0.606 30 20 DBED C=C[C@](C)(O)CC(=O)NCC[C@H](C)NC(=O)c1nnn(C)n1 1076302049 SYKPGRVPIRLFFY-ZANVPECISA-N 310.358 -0.838 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)c2cnc3nccnc3c2)C1 1077147180 GEQPZEJXRABGPD-ZIAGYGMSSA-N 311.345 -0.177 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)c2ccnc3[nH]nnc23)C1 1077363205 KQUOAUHPWINNOW-GHMZBOCLSA-N 300.322 -0.849 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)c2cnc(C3CC3)nc2O)C1 1077793629 KWEKGCUDRUWMED-CHWSQXEVSA-N 316.361 -0.142 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CN(C[C@@H](F)CC)C[C@H]2O)nn1 1077801269 JVUSOPJJAGFILX-DMDPSCGWSA-N 311.361 -0.013 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)c2ccc3oc(O)nc3n2)C1 1077998214 LVWDTFKVJITTEC-GHMZBOCLSA-N 316.317 -0.273 30 20 DBED CC(=O)Nc1ccc(C(=O)N[C@@H]2CN(CC#N)C[C@H]2O)cc1 1078063069 FWOWEMUULCNZAU-ZIAGYGMSSA-N 302.334 -0.057 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)Cc2nc(C3CC3)nn2C)C1 1078206077 OOACKNNSYBWDOL-CHWSQXEVSA-N 317.393 -0.580 30 20 DBED C=C[C@@](C)(O)CC(=O)N(CC)C1CN(C(=O)[C@H]2CNC(=O)N2)C1 1079686850 KZSDGDGIIDZNGR-IAQYHMDHSA-N 324.381 -0.946 30 20 DBED O=C(NC1(CO)CCN(C(=O)C#CC2CC2)CC1)c1cc[nH]n1 1080735834 MFTKRHNVIVZHOV-UHFFFAOYSA-N 316.361 -0.094 30 20 DBED N#CCSCC(=O)NC[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 1081287144 UDEVFMVWSWMKHX-OLZOCXBDSA-N 321.402 -0.408 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2cncnc2)C[C@@H]1O 1081345793 AFPYTGWCQCYLTO-STQMWFEESA-N 320.349 -0.772 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@H](CNC(=O)C2(NC(N)=O)CC2)C1 1081418808 DAFAYTDHIVKRBQ-MNOVXSKESA-N 324.381 -0.911 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CC2(O)CCC2)C1 1081465681 KKUMMNXGSSPLJY-UONOGXRCSA-N 322.405 -0.114 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1cnc2c(cnn2C)c1 1082270569 NCINENWGOJEPFI-CHWSQXEVSA-N 314.349 -0.079 30 20 DBED C#CCCN1C[C@@H](NC(=O)[C@@H]2CCN(C(C)=O)C2)[C@H](OC)C1 1082347849 WNLZDTDWLWFMNF-RBSFLKMASA-N 307.394 -0.307 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](NC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 1083785305 QQUCULJIAQHJDK-DGAVXFQQSA-N 309.410 -0.162 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2c[nH]nc2-c2cccnc2)C1 1083865679 RCPVPTRLXIFPFN-OLZOCXBDSA-N 312.333 -0.230 30 20 DBED N#CCN1CC[C@@H]2CN(C(=O)[C@H]3CCc4nn[nH]c4C3)[C@@H]2C1 1084772886 SXSRQRXXYGJTRI-MISXGVKJSA-N 300.366 -0.034 30 20 DBED Cn1cc(C(=O)N2C[C@H]3CCN(CC#N)C[C@H]3C2)c(O)nc1=O 1088198903 OTQHWFUEVTWLCD-MNOVXSKESA-N 317.349 -0.597 30 20 DBED C=CCN1CC[C@H](NC(=O)Cc2nnn(C(C)(C)C)n2)[C@@H](O)C1 1090291795 JPYMTUMBXWQSGQ-RYUDHWBXSA-N 322.413 -0.292 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2cc3n(n2)CCO3)[C@@H](O)C1 1090326780 LIYBYRYBVUSGFV-AAEUAGOBSA-N 304.350 -0.536 30 20 DBED N#CCN1CC[C@H](NC(=O)c2cnc3nccnc3c2)[C@@H](O)C1 1090332033 QGRANZMNXUTPMH-AAEUAGOBSA-N 312.333 -0.287 30 20 DBED Cn1cnc2ccc(C(=O)N[C@@H]3CCN(CC#N)C[C@@H]3O)nc21 1090573523 NDGRBKVFLHTKEN-MFKMUULPSA-N 314.349 -0.343 30 20 DBED C#CCN1CC[C@@H](NC(=O)C2CCN(C(C)=O)CC2)[C@@H](O)C1 1090797442 ZGRMKAMUHKPOLK-CABCVRRESA-N 307.394 -0.571 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(c2nc(C)ns2)C[C@@H]1O 1091152898 LTDYPYGPLITBMC-IEBDPFPHSA-N 310.379 -0.449 30 20 DBED N#Cc1ccc(N[C@H]2C[C@H](CNC(=O)CNC(N)=O)C2)nc1 1091422861 QJJSGJJHDSBHPK-XYPYZODXSA-N 302.338 -0.072 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2CN(CC(N)=O)C[C@H]2C)cn1 1093142912 IMPUQPWEKHMTFM-DGCLKSJQSA-N 300.362 -0.154 30 20 DBED CC(C)C#CC(=O)NC1[C@@H]2CN(c3ccc4nnnn4n3)C[C@@H]12 1093256834 VVJXQFOWIDBGRC-GHMZBOCLSA-N 311.349 -0.271 30 20 DBED N#Cc1cncc(NCCNC(=O)[C@H]2CCc3nncn3C2)n1 1093670022 MOLINIWXAHESSF-JTQLQIEISA-N 312.337 -0.270 30 20 DBED CC(=O)N1CC[C@@H](C(=O)NCCCN=c2cc[nH]c(C#N)n2)C1 1094528526 DBSOPXQOXRJUAO-GFCCVEGCSA-N 316.365 -0.443 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)c3conc3C)CC2=O)C1 1094780007 VETOAIBTLLMAOB-NSHDSACASA-N 302.334 -0.369 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)c3ccc(O)nc3)CC2=O)C1 1094813061 ASAOOFSTCPKZCX-LBPRGKRZSA-N 316.361 -0.012 30 20 DBED C[C@H](NC(N)=O)C(=O)N[C@@H]1CCN(c2cnc(C#N)cn2)C1 1096356454 VLDCJGLYBVPCBG-DTWKUNHWSA-N 303.326 -0.900 30 20 DBED CC(=O)N(C)CC(=O)N1CC[C@H](N=c2cc[nH]c(C#N)n2)C1 1096917984 HZMMIRRWPUKTAV-NSHDSACASA-N 302.338 -0.739 30 20 DBED N#Cc1nccnc1N[C@H]1C[C@H](NC(=O)CNC(=O)C2CC2)C1 1096989479 DUQWOUMRQLDQJQ-XYPYZODXSA-N 314.349 -0.066 30 20 DBED N#Cc1cncc(N2[C@H]3CC[C@H]2CC(NC(=O)CC(N)=O)C3)n1 1097118494 NJYINAHETBPNHM-RYUDHWBXSA-N 314.349 -0.160 30 20 DBED COCC(=O)N[C@H](C)C(=O)NC[C@H](C)N=c1cc[nH]cc1C#N 1098343137 WTYGIDZASHKLHN-WDEREUQCSA-N 319.365 -0.557 30 20 DBED COCC(=O)N[C@H](C)C(=O)NC[C@@H](C)Nc1cncc(C#N)n1 1098345593 BWSZVNBPQKDIBE-NXEZZACHSA-N 320.353 -0.584 30 20 DBED C#CCN(CCO)C1CCN(C(=O)C[C@@H]2CCCC(=O)N2)CC1 1098423884 IWUKSXRVWLYOJL-AWEZNQCLSA-N 321.421 -0.036 30 20 DBED C[C@@H](CC(N)=O)C(=O)N1CC[C@@H](n2cc(CNCC#N)nn2)C1 1098697636 JYPWNUJQAXZJGU-CMPLNLGQSA-N 319.369 -0.824 30 20 DBED C#CCNCc1cn([C@@H]2CCN(C(=O)[C@H](COC)OC)C2)nn1 1098723096 UHBMWJMLCSLJHB-KGLIPLIRSA-N 321.381 -0.564 30 20 DBED C#CCCN1CC[C@H](NC(=O)CCCNC(=O)C2CC2)[C@H](O)C1 1099863291 LHSGAJJACROPLE-LSDHHAIUSA-N 321.421 -0.133 30 20 DBED CC#CCN1CC[C@H](NC(=O)CCc2ncccn2)[C@@H](O)C1 1100043242 DOWGLGSHLACENO-KBPBESRZSA-N 302.378 -0.016 30 20 DBED CC#CCN1CC[C@H](NC(=O)C(=O)Nc2cc(C)on2)[C@H](O)C1 1100110257 SKWGIKKVXFJKLI-NWDGAFQWSA-N 320.349 -0.504 30 20 DBED CC[C@@]1(C(=O)NCCN(C)c2ccc(C#N)nn2)CCNC1=O 1100401850 MNRYJHFNWPFBNE-OAHLLOKOSA-N 316.365 -0.183 30 20 DBED C=CCNC(=O)CN1CC2(C[C@@H](NC(C)=O)c3nccn32)C1 1101602512 IYQZNRHAFWRGEI-GFCCVEGCSA-N 303.366 -0.223 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)CCOCC#C)C1 1101960940 RVYHBMPLMATTLF-HUUCEWRRSA-N 319.405 -0.540 30 20 DBED CCN(C(=O)CC(N)=O)[C@@H]1CCN(c2ccc(C#N)nn2)C1 1102784981 RIJYBZQRYBJYOM-LLVKDONJSA-N 302.338 -0.349 30 20 DBED CC[C@@H](CNC(=O)Cn1ncnn1)Nc1ccc(C#N)cn1 1103207711 KBCAIKIXNYYLHV-NSHDSACASA-N 300.326 -0.053 30 20 DBED C[C@](CNc1ccc(C#N)nn1)(NC(=O)CNC(N)=O)C1CC1 1103481482 QMIJLFRDKBNNFP-CQSZACIVSA-N 317.353 -0.287 30 20 DBED C[C@@H](CN=c1cc[nH]cc1C#N)CNC(=O)[C@@H]1CN(C)CCO1 1103889729 GSUSTOIYPHWRPW-WFASDCNBSA-N 317.393 -0.130 30 20 DBED Cc1ncoc1C(=O)N1CC(n2cc(CNCC#N)nn2)C1 1105202923 ZBOKUBIHXAQVBK-UHFFFAOYSA-N 301.310 -0.115 30 20 DBED C#CCOCCC(=O)N1CC(n2cc(CNCC=C)nn2)C1 1105240573 SAPMXAOQGIOOJX-UHFFFAOYSA-N 303.366 -0.023 30 20 DBED CC(C)[C@@H](CNC(=O)[C@H](C)CC(N)=O)N=c1cc[nH]c(C#N)n1 1105263503 XQGCZKFOFSUETP-GHMZBOCLSA-N 318.381 -0.166 30 20 DBED CC#CCNCc1cn(C2CN(C(=O)c3[nH]nnc3C)C2)nn1 1105294731 DEXRNHLZFAFSRD-UHFFFAOYSA-N 314.353 -0.485 30 20 DBED CCOCCCC(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1 1105716246 NBCLYFCGVQUUFH-LLVKDONJSA-N 307.354 -0.524 30 20 DBED Cc1cc(=NC[C@H](O)CNC(=O)c2cn(C)nn2)c(C#N)c[nH]1 1105815919 NRUUPZCAURPBOC-NSHDSACASA-N 315.337 -0.985 30 20 DBED CC(C)OCC(=O)N1C[C@@H](C)[C@H](CNCC(=O)NCC#N)C1 1105901272 NGTMHIAVGCKFGW-CHWSQXEVSA-N 310.398 -0.265 30 20 DBED C#CCN1CC(n2cc(CNC(=O)CCc3nc[nH]n3)nn2)C1 1107156354 YAIHDDUXRARADE-UHFFFAOYSA-N 314.353 -0.865 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)[C@@H]1CCC(=O)N1C 1108046950 MHAVGNGSHSWIAV-ZJUUUORDSA-N 302.338 -0.692 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)CCCCNC(N)=O)C1 1108058263 WZBZSJLSAFJKAU-HNNXBMFYSA-N 310.398 -0.335 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)C[C@@H]1CCCC(=O)N1 1108788259 DYAUVJHYTKYPJY-QWRGUYRKSA-N 316.365 -0.254 30 20 DBED CC(=O)N[C@H](C)C(=O)N[C@H](C)CN(C)c1ccnc(C#N)n1 1108817509 CXWNFOVGFCTWOP-NXEZZACHSA-N 304.354 -0.186 30 20 DBED C[C@@H](CN(C)c1nccnc1C#N)NC(=O)CNC(=O)C1CC1 1108833131 ADOZSHBOYSAGFP-JTQLQIEISA-N 316.365 -0.185 30 20 DBED C[C@H](CN(C)c1cncc(C#N)n1)NC(=O)c1nnn(C)n1 1109181311 FJHVDPWLFWYYJN-MRVPVSSYSA-N 301.314 -0.874 30 20 DBED Cn1[nH]c(CN2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)C#CC2CC2)nc1=O 1109251781 KULMGRAPYGWTGD-AGIUHOORSA-N 315.377 -0.257 30 20 DBED N#Cc1cncc(NC[C@H](NC(=O)[C@H]2CNC(=O)N2)C2CC2)n1 1109960517 QZPPIJZRXSPNIS-WDEREUQCSA-N 315.337 -0.664 30 20 DBED N#Cc1cccnc1NC[C@H](NC(=O)[C@@H]1CNC(=O)N1)C1CC1 1109964091 ZTBXSCMEJJVCDS-RYUDHWBXSA-N 314.349 -0.059 30 20 DBED CCc1nc(C#N)cc(NC2(CNC(=O)CC(N)=O)CC2)n1 1110112173 OCOXTHCGJHHNMR-UHFFFAOYSA-N 302.338 -0.153 30 20 DBED N#Cc1nccnc1N1CC[C@](O)(CNC(=O)c2cc[nH]n2)C1 1111031221 DZMXZCLYADWGCW-AWEZNQCLSA-N 313.321 -0.557 30 20 DBED C[C@@H](C#N)C(=O)N[C@@]1(CO)CCCN(c2cncc(C#N)n2)C1 1111342692 DSSXIPLHLBGLOV-NHYWBVRUSA-N 314.349 -0.045 30 20 DBED Cc1ccc(C#N)c(N2CCC[C@@](CO)(NC(=O)C(N)=O)C2)n1 1111363788 FWWKZEICMBNEFB-OAHLLOKOSA-N 317.349 -0.806 30 20 DBED N#CCNC(=O)CN1C[C@@H]2CCC[C@]2(NC(=O)c2ccon2)C1 1111617121 UDFVWCFREAQZCA-NHYWBVRUSA-N 317.349 -0.101 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CCCN(c2cnc(C#N)cn2)CC1 1111984425 YURJJFZYIUDIMO-LLVKDONJSA-N 316.365 -0.041 30 20 DBED C[C@@H]1C[C@@H](NC(=O)CC(N)=O)CCN1c1cnc(C#N)cn1 1112459275 GZLRLDWOFBBCHE-ZJUUUORDSA-N 302.338 -0.303 30 20 DBED C=CCOCC(=O)N1CCN(CC(=O)NCCOCC)CC1 1112706441 UYFPXDNOAGYJIQ-UHFFFAOYSA-N 313.398 -0.514 30 20 DBED C[C@H](NC(=O)CCc1nc[nH]n1)[C@@H](C)N=c1cc[nH]c(C#N)n1 1112966338 OXKJYJGVYLYKTQ-ZJUUUORDSA-N 314.353 -0.174 30 20 DBED C[C@@H](N=c1cc[nH]c(C#N)n1)[C@@H](C)NC(=O)CN1CCOCC1 1112970693 GYUQUKSCDWZBPF-VXGBXAGGSA-N 318.381 -0.593 30 20 DBED C[C@H](CNC(=O)c1ncn(C)n1)N(C)c1cncc(C#N)n1 1113582858 QOTBRIWXDCPERY-SECBINFHSA-N 300.326 -0.269 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCN(Cc2nc(=O)n(C)[nH]2)CC1 1113710335 LDQXOFCQAJEECJ-NSHDSACASA-N 309.370 -0.656 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H](C)N(C)c1ccc2nnnn2n1 1113724590 DURGJGXLQJUUHU-GHMZBOCLSA-N 317.353 -0.502 30 20 DBED C[C@@H](CNC(=O)C1CS(=O)(=O)C1)N(C)c1ccc(C#N)cn1 1113733855 NWSOMELKOSDUGN-JTQLQIEISA-N 322.390 -0.061 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3ncccc3O)[C@H]2C1 1114164643 WLZLSCZMEWJVIU-QWRGUYRKSA-N 314.345 -0.803 30 20 DBED CCOCCNC(=O)CN1C[C@@H]2C(NC(=O)C#CC(C)C)[C@H]2C1 1114237420 LXOLAXUGGKCJHY-KBPBESRZSA-N 321.421 -0.155 30 20 DBED O=C(C#CC1CC1)NC1[C@@H]2CN(CC(=O)N3CCOCC3)C[C@@H]12 1114252825 CQSWLCWUFIADMA-ZIAGYGMSSA-N 317.389 -0.695 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)C3(COC)CC3)[C@H]2C1 1114561482 WJOYMGLKDCWRSB-IMRBUKKESA-N 307.394 -0.238 30 20 DBED C=C(Cl)CN1C[C@@H]2C(NC(=O)CCCS(N)(=O)=O)[C@H]2C1 1114754580 DOEATLMJJIGTPI-UWVGGRQHSA-N 321.830 -0.146 30 20 DBED COCC#CCNC1(CNC(=O)c2nnn(C)n2)CCCCC1 1115677391 QXWKADPAYDPYHV-UHFFFAOYSA-N 320.397 -0.118 30 20 DBED Cc1cc(C#N)nc(N[C@@H](C)CN(C)C(=O)CCNC(N)=O)n1 1115727356 KDLMLQMUNNAGGY-JTQLQIEISA-N 319.369 -0.026 30 20 DBED COC[C@](C)(C#N)NC(=O)CN(C)[C@@H]1CCS(=O)(=O)C1 1116778176 XERWFJLRPUWRAT-PWSUYJOCSA-N 303.384 -0.850 30 20 DBED COC[C@H](NC(=O)C(=O)Nc1cnn(CC#N)c1)[C@@H]1CCCO1 1116857945 ZOMNQAFFJDHDMW-RYUDHWBXSA-N 321.337 -0.345 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1C[C@@H](CO)OC(C)(C)C1 1118089369 YIBYOYBJIDDYDZ-MNOVXSKESA-N 300.355 -0.698 30 20 DBED Cc1nn(C)c(C)c1NC(=O)C(=O)N1CC[C@](O)(CC#N)C1 1118139967 DOAVLNKIZFLMQO-CQSZACIVSA-N 305.338 -0.147 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCCC(F)(F)C1 1118360268 XKVCQEYLNFEQIR-UHFFFAOYSA-N 324.349 -0.039 30 20 DBED C=CCn1cc(Cn2nnnc2N2CCO[C@H](OC)C2)nn1 1120313488 HADWTJFTSPCNKR-NSHDSACASA-N 306.330 -0.692 30 20 DBED CNC(=O)CC(=O)NC[C@@H](CO)Nc1ccc(C#N)c(C)n1 1121370458 GBWIFMDDSZRHKP-NSHDSACASA-N 305.338 -0.713 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)Cc2cc[nH]n2)nn1 1121399230 NQOAFWFVUXCFOO-LLVKDONJSA-N 301.310 -0.797 30 20 DBED C=CCO[C@@H](C)C(=O)NC[C@H](CO)Nc1ccc(C#N)nn1 1121750415 ZRNCKYHVVRYFJL-CMPLNLGQSA-N 305.338 -0.172 30 20 DBED CCN(C)C(C)(C)C(=O)NC[C@H](CO)Nc1ccc(C#N)nn1 1122189687 IXIHHQHYZYJISC-GFCCVEGCSA-N 320.397 -0.032 30 20 DBED CCN(C)C(C)(C)C(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1 1122189956 KDYPPHGPVKANEM-LLVKDONJSA-N 320.397 -0.611 30 20 DBED C[C@@]1(C(=O)NC[C@@H](CO)Nc2ncccc2C#N)CNC(=O)C1 1122256802 YFSSZOXKHNPPRK-NHYWBVRUSA-N 317.349 -0.632 30 20 DBED Cc1cnn(C)c1C(=O)NC[C@@H](CO)Nc1nccnc1C#N 1122341015 FCJMWQKQFNNGSE-JTQLQIEISA-N 315.337 -0.407 30 20 DBED N#Cc1nc(=N[C@@H](CO)CNC(=O)[C@@H]2Cc3ccccc32)cc[nH]1 1122446098 ZPNNNTRZQPEHOS-TZMCWYRMSA-N 323.356 -0.001 30 20 DBED CCC(=O)N[C@@H](C)C(=O)NC[C@@H](CO)Nc1cncc(C#N)n1 1122752520 OJBGDZRSMNQEPY-ONGXEEELSA-N 320.353 -0.848 30 20 DBED CCC(=O)N[C@@H](C)C(=O)NC[C@@H](CO)N=c1cc[nH]cc1C#N 1122753150 WOIKBIHKAUZRJN-JQWIXIFHSA-N 319.365 -0.821 30 20 DBED C[C@@H]1C[C@H](N=c2cc[nH]c(C#N)n2)CN1C(=O)CCNC(N)=O 1123234411 ZOCXGOLSDACDKS-ZJUUUORDSA-N 317.353 -0.770 30 20 DBED CC(=O)N[C@H](C)C(=O)N(C)C[C@H](O)CNc1ncccc1C#N 1124060205 UMDRPYHZGFCXBX-ZWNOBZJWSA-N 319.365 -0.291 30 20 DBED Cc1ccc(C#N)c(NC[C@@H](O)CN(C)C(=O)CNC(N)=O)n1 1124076022 CTFHYDJTEWURAV-LLVKDONJSA-N 320.353 -0.839 30 20 DBED CCN(C)CCC(=O)N(C)C[C@H](O)CNc1nccnc1C#N 1124493420 RXDAPVRSELXMOD-GFCCVEGCSA-N 320.397 -0.079 30 20 DBED CN(C[C@@H](O)CN(C)c1nccnc1C#N)C(=O)c1cnn[nH]1 1125374691 ZHZCLGFMCVVXHX-VIFPVBQESA-N 316.325 -0.964 30 20 DBED Cc1ccc(C#N)c(NCCOCCN(C)C(=O)C(N)=O)n1 1127457384 AXFDAIQUYLCCLO-UHFFFAOYSA-N 305.338 -0.366 30 20 DBED CNC(=O)CC(=O)NCC1=CCN(c2cncc(C#N)n2)CC1 1127628096 HIWWCIRWVVNPBG-UHFFFAOYSA-N 314.349 -0.263 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1ncc(F)cc1F 1130320517 STJVZXALSYLDER-SECBINFHSA-N 310.304 -0.183 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)c1ccn(C)c(=O)c1 1130376021 PPZADKYMELJLPG-LLVKDONJSA-N 306.366 -0.605 30 20 DBED C#CCN[C@@H]1CN(C(=O)CCCC(N)=O)C[C@H]1c1cn(C)cn1 1130741605 KWMXCUCSJFXKNG-GXTWGEPZSA-N 317.393 -0.407 30 20 DBED C#CCCN1C[C@@H](NC(=O)CNS(=O)(=O)CC)CC[C@@H]1C 1132086572 HQEZBQURTVPLJW-STQMWFEESA-N 315.439 -0.082 30 20 DBED C=C[C@](C)(CC)C(=O)NCCNCc1cc(=O)n(C)c(=O)n1C 1133383522 SDAOYIICCBVLGK-MRXNPFEDSA-N 322.409 -0.108 30 20 DBED Cc1cc(C(=O)N[C@H](C)C[C@@H](C)NCC(=O)NCC#N)nn1C 1133831090 RLOXIGQGCUHUSJ-GHMZBOCLSA-N 320.397 -0.145 30 20 DBED C[C@@H](C[C@@H](C)NCC#N)NC(=O)CN(C)S(=O)(=O)N(C)C 1134351315 FSLMAZCHQSEYBL-MNOVXSKESA-N 319.431 -0.879 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cc(C)cc2c[nH]nc12 1135309743 GTICDKUBHSCTHE-UHFFFAOYSA-N 313.361 -0.060 30 20 DBED C#CCCN[C@H](C)C[C@@H](C)NC(=O)CS(=O)(=O)N(C)C 1136063353 PBKGEZZJZCFWRV-VXGBXAGGSA-N 303.428 -0.226 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CCN(C(=O)CC)C1 1146912944 XNSXIUULMADGAA-QWHCGFSZSA-N 322.409 -0.911 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(CC(=O)N(C)C)CCCO1 1149383421 FZNDDCAKURNQOM-ZDUSSCGKSA-N 313.398 -0.516 30 20 DBED C=CCOCC(=O)NC[C@H]1CN([C@@H](CC)C(N)=O)CCCO1 1149385102 ZLEOTFRCXAOGEC-STQMWFEESA-N 313.398 -0.340 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H](C)N(CC)CC(=O)NCC#N 1153327907 WSDGLBYJDIJFAB-OLZOCXBDSA-N 308.382 -0.509 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H](C)N(CC)Cc1nc(=O)n(C)[nH]1 1153327934 XFSXZUCMJXSMCL-NEPJUHHUSA-N 323.397 -0.527 30 20 DBED C#CCCN(CC)[C@H](C)CNC(=O)CN1CCCS1(=O)=O 1153727590 CZAQXPLYCXCSRB-CYBMUJFWSA-N 315.439 -0.128 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)[C@@H](C1CC1)N(C)C 1153824574 UJBOVMXSHPBMDE-CZUORRHYSA-N 322.453 -0.097 30 20 DBED N#Cc1ccc(CNCCCNC(=O)Cn2cnnn2)c(F)c1 1154502275 DEDRUJAOBVQZLH-UHFFFAOYSA-N 317.328 -0.020 30 20 DBED C=CCOCC(=O)NCCCN[C@@H](C)C(=O)NC(=O)NC 1155731556 AYQJJDPFUZNKFQ-JTQLQIEISA-N 300.359 -0.871 30 20 DBED C=CCNC(=O)NC(=O)CNCCCNC(=O)c1cn(C)cn1 1156557472 FYRPAIFIHAKQNT-UHFFFAOYSA-N 322.369 -0.859 30 20 DBED C#CCNC(=O)CC(=O)NCCCN[C@H](C)c1noc(C)n1 1156848099 RIVMEKGUIBUKOV-SNVBAGLBSA-N 307.354 -0.326 30 20 DBED COC[C@H](C)OC[C@H](O)CNCCCNC(=O)C#CC1CC1 1157682408 FTXZQUWHGYEMIM-DZGCQCFKSA-N 312.410 -0.092 30 20 DBED CC[C@@H]1[C@@H](C(=O)NCCCNCC(=O)NCC#N)CCN1C 1158396673 DFUCJLWGMBZFKH-QWHCGFSZSA-N 309.414 -0.548 30 20 DBED C#CCNC(=O)CNCCCNC(=O)CCc1ccnn1C 1159081902 PMOAHQXVGRRPDW-UHFFFAOYSA-N 305.382 -0.802 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)[C@@H]2CCCNC2=O)C1=O 1160433431 MODJPTGGOCLFBA-CHWSQXEVSA-N 322.409 -0.605 30 20 DBED C=CCOCCNCCCNC(=O)CC1CS(=O)(=O)C1 1161448152 XXRXQQPLHSYHOX-UHFFFAOYSA-N 304.412 -0.280 30 20 DBED CC(=O)N[C@@H](C)C(=O)NCCC1(CNCC(=O)NCC#N)CC1 1163285431 GSBNILSCJKPHNF-NSHDSACASA-N 323.397 -0.973 30 20 DBED C=CCNC(=O)CNCCCNC(=O)c1c(C)ncnc1O 1164426725 TXYXJNHIEXRXEZ-UHFFFAOYSA-N 307.354 -0.498 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCCCN[C@H]1CCNC1=O 1170310049 ATBBEPZVZDHQBH-STQMWFEESA-N 322.409 -0.721 30 20 DBED C[C@H](CCCCNCC(=O)NCC#N)NC(=O)c1cnnn1C 1170523371 OZPYZPOOFCSMOM-LLVKDONJSA-N 321.385 -0.667 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)CC(=O)NCC1CC1 1170581201 ZOGJAMYOBPZJCP-LBPRGKRZSA-N 324.425 -0.311 30 20 DBED C[C@@H](CCCCNCC(=O)NCC#N)NC(=O)CN1CCCC1 1176573198 JXZYGJCEAZDKJN-AWEZNQCLSA-N 323.441 -0.013 30 20 DBED C=CCNC(=O)NC(=O)CNCCCNC(=O)c1[nH]cnc1C 1177564326 PGSUIYJFHZXQBR-UHFFFAOYSA-N 322.369 -0.561 30 20 DBED CC(=O)N[C@@H](CC(=O)NCCCCCCNCC#N)C(N)=O 1179753407 OCPBHYZVZNCFCR-LBPRGKRZSA-N 311.386 -0.844 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2cncnc2O)C1 1183521660 PHZOGGRGHCQYMX-WDEREUQCSA-N 319.365 -0.323 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)CC(C)(C)COC)C1 1184551447 PFQVBBFIHKCSHM-CYBMUJFWSA-N 309.410 -0.011 30 20 DBED COCC#CCN1C[C@@H]2CCN(C(=O)[C@H]3COCCO3)[C@@H]2C1 1186907225 DJGXZCBNYAWIBU-RRFJBIMHSA-N 308.378 -0.416 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)C[C@H]2COC(=O)C2)C1 1189642495 RJIADOYQNMDIEA-OLZOCXBDSA-N 321.377 -0.778 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CN(Cc2nnnn2C(C)(C)C)C[C@H]1O 1191854202 JTTPHPYDDVXWKV-HBNTYKKESA-N 321.385 -0.751 30 20 DBED COCC#CCN(C)[C@H]1CCN(C(=O)[C@]2(C)CCC(=O)N2)C1 1192217015 BHEYSBRPONYCDK-BBRMVZONSA-N 307.394 -0.162 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)Cc2cnc[nH]2)C1 1192550477 IFWFRCRYCKXUPD-CYBMUJFWSA-N 303.366 -0.766 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)CCc2cnn(C)c2C)C1 1193369852 HEGRHSMVAGNPLO-HUUCEWRRSA-N 304.394 -0.154 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)Cc2ccnn2C)CC1 1195625399 KXOWPBXZBDXUMX-UHFFFAOYSA-N 319.409 -0.201 30 20 DBED C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 1195691108 GWPZIMASEGIUIO-JHJVBQTASA-N 310.398 -0.425 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)CCCCN2CCOCC2)C1 1196931630 ACCGEPOVQNCYAX-ZIAGYGMSSA-N 310.398 -0.826 30 20 DBED CCn1nccc1C(=O)N1CCC(NCC(=O)NCC#N)CC1 1200218231 FXDYFSNOIMYOSZ-UHFFFAOYSA-N 318.381 -0.263 30 20 DBED N#CCNC(=O)CNC1CCN(C(=O)c2csnn2)CC1 1201864783 TWGGMOWEZBWLCO-UHFFFAOYSA-N 308.367 -0.628 30 20 DBED COCC#CCNCC1CCN(C(=O)[C@H]2CN(C)C(=O)N2)CC1 1205866562 MMKNHNZEIBUIAW-CQSZACIVSA-N 322.409 -0.512 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)C[C@@H]2CCCO2)[C@H](OC)C1 1211906233 OUOAOUAYTARWFZ-BFHYXJOUSA-N 323.393 -0.880 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(Cc2cn(C)nn2)C[C@H]1OC 1212187232 MJJNSARHTATVMO-ZIAGYGMSSA-N 305.382 -0.066 30 20 DBED CC#CCN1C[C@@H](NC(=O)[C@H](C)CN2CCOCC2)[C@H](OC)C1 1213863480 LNTMTGUCCKMVJI-BZUAXINKSA-N 323.437 -0.207 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)Cn2ccnc2C)C[C@H]1C 1216755974 MOSJQKFGEHZHID-TZMCWYRMSA-N 319.409 -0.070 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H](CC)NC(C)=O 1218676640 JEFFKYHLOWQDIU-SOUVJXGZSA-N 307.394 -0.164 30 20 DBED C=CCOCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)Cn1ccnc1 1219068894 NTTKBBIAMLUBHH-LSDHHAIUSA-N 320.393 -0.003 30 20 DBED C[C@@H](c1nncn1C)N1C[C@H](O)[C@H](NC(=O)CSCC#N)C1 1219216701 UKSHANNCLUTPBW-AXFHLTTASA-N 324.410 -0.706 30 20 DBED C/C(=C/C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@@H]1O)C1CC1 1219279634 VSMPKDJVNHBLAW-KICFUWCWSA-N 306.366 -0.856 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CN(C[C@@H](O)CC(F)(F)F)C[C@@H]1O 1219591748 SIVWWDPIMYFAKQ-TUAOUCFPSA-N 320.311 -0.126 30 20 DBED CC(C)(C)C#CC(=O)N[C@@H]1CN([C@H]2CCC(=O)NC2=O)C[C@@H]1O 1219598004 DAULKHJAABFXQB-WOPDTQHZSA-N 321.377 -0.998 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C(C)(C)C(C)C)C1 1219697150 KTSBCOIZPJBFKT-OLZOCXBDSA-N 309.410 -0.421 30 20 DBED C=CC(C)(C)CC(=O)N[C@@H]1CN(C[C@@H](O)COC)C[C@@H]1O 1219706665 JQBUSLTYVZLMOM-UPJWGTAASA-N 300.399 -0.243 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)Cc2ccc(F)cn2)C1 1219894557 KBKRIWLLKOGKRU-CABCVRRESA-N 321.352 -0.426 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)CNC(=O)CC2CCCCC2)C1 1221184398 VETSKQJLGJYHTN-KGLIPLIRSA-N 322.409 -0.242 30 20 DBED CCNC(=O)CC(=O)NCC1CCN(CC#CCOC)CC1 1222920211 HSJRLOZMYNSPPM-UHFFFAOYSA-N 309.410 -0.009 30 20 DBED C#CCCN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC(=O)NC(=O)N1 1228811079 BUDPIKIXUKXTKH-UTUOFQBUSA-N 306.366 -0.375 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)Cc2nonc2C)CC1 1229832821 SSZRABWJTCVJCH-UHFFFAOYSA-N 319.365 -0.749 30 20 DBED COCC#CCN1CC[C@H]1CN(C)C(=O)[C@H]1CCCNC1=O 1235601193 JIKYAHVJAUXAHY-KBPBESRZSA-N 307.394 -0.305 30 20 DBED C=CCOCC(=O)NCCCN(C)C[C@@H](O)COCCOC 1235683419 JGOKLQUHSSWNLG-CQSZACIVSA-N 318.414 -0.349 30 20 DBED C=CCNC(=O)CNC(=O)NCCN1C(=O)CSC1=O 1254222855 OBUROKQIRFDURN-UHFFFAOYSA-N 300.340 -0.717 30 20 DBED CN(CC(=O)N[C@@]1(C#N)CCSC1)[C@@H]1CCS(=O)(=O)C1 1255868456 UIXFZAFGJGUXBK-ZYHUDNBSSA-N 317.436 -0.379 30 20 DBED N#CCC1(CNC(=O)C(=O)NCCOC[C@@H]2CCOC2)CC1 1258211565 OPHRCMOKPWDAFU-GFCCVEGCSA-N 309.366 -0.034 30 20 DBED C[C@H](N)C[C@@H](C)NC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1262033725 IBWMRBKDAMWGJP-LOWVWBTDSA-N 307.398 -0.573 30 20 DBED C#CCOCCn1nnnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1262445187 NZXZPYURFMVMRP-MNOVXSKESA-N 306.326 -0.742 30 20 DBED COCC#CCN[C@@H](C)CCNC(=O)[C@H]1CCS(=O)(=O)C1 1266158524 PWRGKMWXRWSBPH-STQMWFEESA-N 316.423 -0.445 30 20 DBED COC(=O)[C@@]1(C)CN(C(=O)C(=O)N2CCO[C@H](C#N)C2)C[C@@H]1C 1332019572 RUJMPBWMMSKUOB-RWSFTLGLSA-N 323.349 -0.605 30 20 DBED Cc1nccn1CCCNC(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1332195089 SMQQQFMXLPPWNN-HNNXBMFYSA-N 319.365 -0.425 30 20 DBED CC(C)(C)C(=O)N1CCC(NC(=O)NCC(=O)NCC#N)CC1 1332853736 SLCDFCKSROKTMJ-UHFFFAOYSA-N 323.397 -0.038 30 20 DBED C=CCn1c(N2CCS(=O)(=O)CC2)nnc1C(C)(C)O 1339828205 AAVBTIDAQJLJLZ-UHFFFAOYSA-N 300.384 -0.074 30 20 DBED C#CCOCCNC(=O)C(=O)NC1CCN(CC(C)C)CC1 1340324815 WFDDBHWAEWPDBR-UHFFFAOYSA-N 309.410 -0.011 30 20 DBED COc1cccc(NC(=O)C(=O)NCC(=O)NCC#N)c1F 1342538170 KJCZSUCORVHMFQ-UHFFFAOYSA-N 308.269 -0.471 30 20 DBED C[C@]1(C(N)=O)CCN(C(=O)C(=O)Nc2ccc(C#N)cn2)C1 1347669514 YCAQXPCTRSRPOY-AWEZNQCLSA-N 301.306 -0.384 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N[C@H]1CCN(C(=O)CC)C1 1349334120 GXEWCLPVVGNZNU-OLZOCXBDSA-N 323.393 -0.342 30 20 DBED CC(C)C#CC(=O)N[C@H]1CCN(c2cc(=O)n(C)c(O)n2)C1 1353141113 BGWVSGLCGKZAKX-NSHDSACASA-N 304.350 -0.160 30 20 DBED Cc1cc(CNC(=O)Cn2cc(C#N)c(O)nc2=O)ncn1 1362452989 QJHPXBNNWHUEFP-UHFFFAOYSA-N 300.278 -0.765 30 20 DBED CC(C)C1(O)CN(C(=O)CCn2cc(C#N)c(O)nc2=O)C1 1362641314 AUVZFVHXCIEODT-UHFFFAOYSA-N 306.322 -0.560 30 20 DBED N#Cc1cn(CC(=O)N2CCC3(CC2)OCCO3)c(=O)nc1O 1362971999 NLSZPDVVMOMHFR-UHFFFAOYSA-N 320.305 -0.814 30 20 DBED Cc1ccnc(CNC(=O)Cn2cc(C#N)c(O)nc2=O)n1 1363391182 JABNETHQPOSSFB-UHFFFAOYSA-N 300.278 -0.765 30 20 DBED C[C@H]1CN(C(=O)CNC2(CNC(=O)[C@@H](C)C#N)CC2)CCO1 1367987232 AJITYVFWKSFWQN-RYUDHWBXSA-N 308.382 -0.368 30 20 DBED CC(C)CCNC(=O)[C@@H](C)N1CC(O)(CNC(=O)[C@H](C)C#N)C1 1368288585 LJVOVJVCPAGIJG-CHWSQXEVSA-N 324.425 -0.140 30 20 DBED C[C@@H](CNC(=O)c1c[nH]c(C#N)c1)NC(=O)[C@@H]1CCC(=O)N1C 1386731655 VPMDAVHGMHTYES-CABZTGNLSA-N 317.349 -0.258 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)CCc1cncnc1 1389101291 AMRAUCZLPQXDNW-ZYHUDNBSSA-N 305.338 -0.838 30 20 DBED Cc1nc(C(=O)NC[C@@]2(O)CCN(C(=O)[C@@H](C)C#N)C2)co1 1394635705 VNASLWHZTRBUKR-XPTSAGLGSA-N 306.322 -0.164 30 20 DBED C[C@@H](CNC(=O)[C@H]1COCCO1)NC(=O)c1cc(C#N)c[nH]1 1397401500 UPFHLAYOBDQLSP-JOYOIKCWSA-N 306.322 -0.464 30 20 DBED C=C(Cl)CN(CCNC(=O)CN1CCNC(=O)C1)C1CC1 1404252177 ANPHENPWBHFQFM-UHFFFAOYSA-N 314.817 -0.249 30 20 DBED CC(C)Cn1ccc(C(=O)NC[C@H](O)CNC(=O)[C@@H](C)C#N)n1 1410133192 OOUCHMVJRRUPOE-NWDGAFQWSA-N 321.381 -0.094 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C)C(=O)CCn1cnccc1=O 1415597707 JDEZLWBBNNEYEM-NSHDSACASA-N 305.338 -0.632 30 20 DBED C=C(Br)CNC[C@@H](C)NC(=O)Cn1ncnn1 1420292855 CZFHXIJYLURALS-MRVPVSSYSA-N 303.164 -0.324 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNCC1CCS(=O)(=O)CC1 1422263991 JCGWEVMHNRBHAK-PWSUYJOCSA-N 317.411 -0.962 30 20 DBED CCCn1cc(C(=O)N(C)C[C@@H](O)CNC(=O)[C@@H](C)C#N)nn1 1425879688 SLMRFSFTTOXQHF-QWRGUYRKSA-N 322.369 -0.603 30 20 DBED CCN(CCNC(=O)[C@@H](C)C#N)C(=O)[C@@H](C)NS(C)(=O)=O 1429683151 LXQSDUUACMGELP-VHSXEESVSA-N 318.399 -0.952 30 20 DBED C[C@H](C#N)C(=O)N(C)CCN(C)C(=O)c1ccc(C(N)=O)nc1 1433185843 ZFZOQYWUOOFDPF-SNVBAGLBSA-N 317.349 -0.129 30 20 DBED Cc1ccc(CC(=O)NC[C@@H](O)CNC(=O)[C@@H](C)C#N)cn1 1433294922 ISNAHPOVPCDBEU-GXFFZTMASA-N 304.350 -0.315 30 20 DBED Cc1cnn(CC(=O)NC[C@]2(O)CCN(C(=O)[C@H](C)C#N)C2)c1 1434336547 LQLLMOXJUBTNQN-IUODEOHRSA-N 319.365 -0.569 30 20 DBED C[C@@H](C(=O)N1CCC2(CCNC2=O)CC1)n1cnc(C#N)n1 1434350763 PVSFPLSAEVTXIM-JTQLQIEISA-N 302.338 -0.161 30 20 DBED CCN(CCC#N)C(=O)CN(C)CCNC(=O)[C@H]1CCOC1 1442385224 ZYAZUWBNFAVGMY-ZDUSSCGKSA-N 310.398 -0.167 30 20 DBED C=C(Cl)CNC[C@H](O)CNC(=O)C(C)(C)S(C)(=O)=O 1445265607 YHWHVGZFIXGVBN-VIFPVBQESA-N 312.819 -0.371 30 20 DBED CC(C)[C@@H](CCO)NC(=O)CCn1cc(C#N)c(O)nc1=O 1465996953 NADGZESMVAHECT-LLVKDONJSA-N 308.338 -0.266 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)[C@@H]2COC(=O)N2)CCCC1 1499540370 GLNDKRAYVMJDIL-ZJUUUORDSA-N 308.338 -0.200 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](CO)Nc1ncccc1-c1nn[nH]n1 1573577227 NSVWZBQCHNPVHF-RKDXNWHRSA-N 316.325 -0.690 30 20 DBED CS(=O)(=O)CC[C@@H](N)C(=O)NCc1nc(C#N)cs1 1574057320 KYDQLKQJNBBOSO-MRVPVSSYSA-N 302.381 -0.607 30 20 DBED N#Cc1cn(CC(=O)N2CCC[C@H](C(=O)O)C2)c(=O)nc1O 1574249120 SMVKTECIXDJUFD-QMMMGPOBSA-N 306.278 -0.856 30 20 DBED CN1C[C@H](CCNc2cnc(C#N)c(-c3nn[nH]n3)n2)CC1=O 1579320163 JFOTXDGGBKSKOK-MRVPVSSYSA-N 313.325 -0.191 30 20 DBED N#Cc1nc(NCCS(=O)(=O)C2CC2)cnc1-c1nn[nH]n1 1581880925 ZTMHAIJXEVXICY-UHFFFAOYSA-N 320.338 -0.483 30 20 DBED C#CCN1CCN(C(=O)CN2CC[C@](COC)(C(=O)O)C2)CC1 1588430511 MUEAQXWZVXAKEQ-INIZCTEOSA-N 323.393 -0.813 30 20 DBED C=CC[C@@H](CO)NC(=O)C1(C(=O)O)CCS(=O)(=O)CC1 1588453350 VYPBQHUVEISDGZ-VIFPVBQESA-N 305.352 -0.681 30 20 DBED C=CC(C)(C)CC(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2C(=O)O)C1 1588672889 DBPLJFXZFLBGIV-GHMZBOCLSA-N 324.377 -0.001 30 20 DBED CC#CC[C@@H](CO)NC(=O)NCc1nc(-c2nn[nH]n2)cs1 1588737498 FRHBXJXBZRAASV-QMMMGPOBSA-N 321.366 -0.103 30 20 DBED C[C@]1(CCC(=O)O)NC(=O)N(CN2CCO[C@@H](C#N)C2)C1=O 1594001663 ONRGWLCDNRVLOM-TVQRCGJNSA-N 310.310 -0.656 30 20 DBED N#CCCCNC(=O)N1CCN([C@]2(C(=O)O)CCOC2)CC1 1601065597 OXQNFCNDHHEFMH-CQSZACIVSA-N 310.354 -0.139 30 20 DBED CCC[C@H](O)[C@H](CO)Nc1cnc(C#N)c(-c2nn[nH]n2)n1 1604145830 YEPLLZVKVPWKNY-IUCAKERBSA-N 304.314 -0.538 30 20 DBED C#CCNC[C@H]1CCCN1C(=O)CS(=O)(=O)NC(C)(C)C 1716790315 XDTPOHAMIDJZRS-GFCCVEGCSA-N 315.439 -0.082 30 20 DBED C#CCN(C)C[C@H]1CCCN(C(=O)CNC(=O)CNC(C)=O)C1 1752514307 PXPMKBMXFILHIK-CQSZACIVSA-N 322.409 -0.958 30 20 DBED C=CCNC(=O)NC(=O)CN1CC(NC(=O)c2ccsn2)C1 1753379635 FMWZYDUMUIBVBN-UHFFFAOYSA-N 323.378 -0.431 30 20 DBED C#CCNC(=O)[C@H](C)N1CC(CNC(=O)C2(COC)CC2)C1 1753406829 LCNHNSAKLKBMGC-LBPRGKRZSA-N 307.394 -0.401 30 20 DBED COCC#CCN1CC(CNC(=O)[C@@H](OC)[C@@H]2CCOC2)C1 1753407409 IKBAOXPBDAHJQC-CABCVRRESA-N 310.394 -0.264 30 20 DBED C=CCCCN1CC[C@H](N(C)C(=O)CNC(=O)CNC(C)=O)C1 1753439584 OWMNBRBTIYZWNS-AWEZNQCLSA-N 324.425 -0.262 30 20 DBED C#CCNC(=O)CN1CCO[C@@H](CNC(=O)[C@H](C)C(C)C)C1 1753653831 IVTSDYFXCISJJT-KGLIPLIRSA-N 309.410 -0.155 30 20 DBED C=CCNC(=O)CN1C[C@H]2C[C@H]1[C@@H]2NC(=O)CCc1cn[nH]c1 1754429861 YJFUFQPRKWAASS-DVOMOZLQSA-N 317.393 -0.167 30 20 DBED CC#CCNC1(CNC(=O)[C@]2(C)CCNC2=O)CCOCC1 1754740219 RPZXYINLEBJHPA-OAHLLOKOSA-N 307.394 -0.209 30 20 DBED C#CCNC[C@@H]1CN(C(=O)[C@@H]2CCc3cncn3C2)CCO1 1755006052 WWYOMWMYAXRJLP-UKRRQHHQSA-N 302.378 -0.104 30 20 DBED C=CCNC(=O)CNCC1CC(NC(=O)Cc2nnc(C)o2)C1 1755210301 ZKXGRXRSPYPAIW-UHFFFAOYSA-N 321.381 -0.293 30 20 DBED C#CCNC(=O)CN1CC([C@@H](C)NC(=O)C2=COCCC2)C1 1755372122 BWFXSHKTTVNDNM-GFCCVEGCSA-N 305.378 -0.133 30 20 DBED C=CCN1CC[C@@H](N[C@H](CCNC(=O)C(N)=O)C(C)C)C1=O 1755552172 WEMIFCDUICTWNZ-VXGBXAGGSA-N 310.398 -0.621 30 20 DBED CCn1cc(CN[C@H](CO)CNC(=O)C#CC(C)(C)C)nn1 1755627618 JGWUZRHJRLRWJN-ZDUSSCGKSA-N 307.398 -0.086 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2cncnc2C)[C@H]1C 1755665289 PDMOYGGQUJHYBB-GXTWGEPZSA-N 315.377 -0.273 30 20 DBED C#CCNC[C@H](O)CN(C)C(=O)c1ccc(CNC(N)=O)cc1 1755796141 MZNCFLOSFOZNGS-AWEZNQCLSA-N 318.377 -0.489 30 20 DBED C=CCOCC(=O)N(C)C[C@H](C)NC(=O)CNC(=O)OC 1756438290 KSTCGARBHQWPGF-JTQLQIEISA-N 301.343 -0.492 30 20 DBED C=C1CC(C)(C(=O)N[C@@H](CO)CNC(=O)c2nnn(C)c2C)C1 1756510698 NGSQDQOIYOOMPG-LLVKDONJSA-N 321.381 -0.313 30 20 DBED C[C@H]1C[C@H](NC(=O)C#CC2CC2)CN1C(=O)c1cn(C)nn1 1756588154 OCPVULCKXSVBIQ-JQWIXIFHSA-N 301.350 -0.052 30 20 DBED C[C@H]1C[C@H](NC(=O)C#CC2CC2)CN1C(=O)c1cnnn1C 1756588566 SSGVBDVZTILDCH-JQWIXIFHSA-N 301.350 -0.052 30 20 DBED Cc1ncc(CC(=O)NC[C@@H](O)CN(C)C(=O)C#CC2CC2)o1 1756663322 UCVOOXZHCQVEAX-CYBMUJFWSA-N 319.361 -0.126 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@@H]2CN(C(=O)c3cnon3)[C@@H]2C1 1757242085 RUYHIHHKHIPTPF-NQBHXWOUSA-N 318.333 -0.219 30 20 DBED CN(C)C(=O)NCC(=O)N1CCCC12CN(C(=O)CCC#N)C2 1841134008 YLWWTRPUHGXBJX-UHFFFAOYSA-N 321.381 -0.235 30 20 DBED Cn1cnc(C(=O)N2CC3(CCCN3C(=O)C3(C#N)CC3)C2)n1 1842807369 RKYJRIQZMZIYNK-UHFFFAOYSA-N 314.349 -0.064 30 20 DBED C#CC(=O)N1CC2(CCCN2C(=O)C[C@](C)(O)CC(=O)O)C1 1846382898 XWOMZIGXAMRFLM-AWEZNQCLSA-N 308.334 -0.561 30 20 DBED N#Cc1ccccc1CS(=O)(=O)N1C[C@H](O)C[C@@H]1C(=O)O 21801842 QFHFUCFSDBSHGA-VXGBXAGGSA-N 310.331 -0.092 30 20 DBED CCCS(=O)(=O)NC1CCN(CC(=O)NCC#N)CC1 76668849 PBISWAWVHQVPGT-UHFFFAOYSA-N 302.400 -0.580 30 20 DBED C[C@@H]1CS(=O)(=O)CCN1CC(=O)N(CCC#N)CCC#N 172630208 PAIMCRPYTJLJIG-GFCCVEGCSA-N 312.395 -0.239 30 20 DBED CN1CCN(C(=O)C(=O)Nc2ccc(F)cc2C#N)CC1=O 176010517 QEJFRWPRRISOIY-UHFFFAOYSA-N 304.281 -0.064 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(Cc2nc(COC)no2)CC1 189620594 HDDODAHGSZXRAJ-LBPRGKRZSA-N 321.381 -0.529 30 20 DBED C[C@@H]1CN(C(=O)C(=O)Nc2cccc(C#N)c2)C[C@@H](C(N)=O)O1 268518060 YHZAHIWCIZCXME-SKDRFNHKSA-N 316.317 -0.402 30 20 DBED C=CCCO[C@H](C)C(=O)N1CCN(S(=O)(=O)NC)CC1 282860481 HITGSVBYQURABF-LLVKDONJSA-N 305.400 -0.424 30 20 DBED C[C@@H]1CN(/C(O)=N/CC2(N3CCOCC3)CC2)CC(=O)N1C 328651853 JVIVSEWMDUKGRJ-GFCCVEGCSA-N 310.398 -0.072 30 20 DBED C[C@@H]1C(O)=NCCN1/C(O)=N/C[C@@H]1CCN(S(C)(=O)=O)C1 328727528 GKTYQACCCJXRBY-ZJUUUORDSA-N 318.399 -0.158 30 20 DBED COCCN1CN(/C(O)=N/CC(=O)N2CCCCC2)CC1=O 328841188 ZJTFJWGTFDZJLZ-UHFFFAOYSA-N 312.370 -0.339 30 20 DBED O=C(C/N=C(/O)NC[C@@]1(O)CCSC1)N1CCOCC1 329289450 QJACYCXWEOPGGY-LBPRGKRZSA-N 303.384 -0.783 30 20 DBED CN1CCN(C)[C@@H](C/N=C(/O)NCC(=O)N2CCCCC2)C1 329485115 QPYDNFDDONEYDO-ZDUSSCGKSA-N 311.430 -0.252 30 20 DBED CN1CCC(O)(CN/C(O)=N/C[C@H]2CN(C)CCO2)CC1 329569217 LVZFOKJYIRYOKZ-LBPRGKRZSA-N 300.403 -0.723 30 20 DBED CN1CC[C@H](/N=C(/O)N(C)[C@H]2CCN(S(C)(=O)=O)C2)C1=O 330122636 AIVLJYOBKKAMGF-UWVGGRQHSA-N 318.399 -0.903 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC(N(C)CCO)CC1 330394396 QXXQFIQYJYRRSV-LBPRGKRZSA-N 318.443 -0.289 30 20 DBED CCO[C@@H]1COCC[C@@H]1NS(=O)(=O)N1CCO[C@@H](C#N)C1 336942210 KIKSOXSYHZTMPR-SDDRHHMPSA-N 319.383 -0.761 30 20 DBED CN1CCC(CN(C)S(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 337082154 ZCYZOVMVDCJKEH-ZDUSSCGKSA-N 316.427 -0.271 30 20 DBED CSC[C@@](C)(O)CNS(=O)(=O)N1CCO[C@H](C#N)C1 337095772 QNUOWDDPJRGUNM-ZJUUUORDSA-N 309.413 -0.841 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H](C)C(=O)NCCF 337180153 AHEQNMIITYBZSP-ZJUUUORDSA-N 308.379 -0.223 30 20 DBED N#Cc1ccc(NC(=O)C(=O)N2CCC[C@H](OCCO)C2)nc1 340030306 MZIKKZGUNJWPNL-LBPRGKRZSA-N 318.333 -0.108 30 20 DBED N#CCNC(=O)CNC(=O)CNC(=O)c1ccc(F)cc1F 344147999 DPCWAQOORSWINA-UHFFFAOYSA-N 310.260 -0.549 30 20 DBED CC(C)C(=O)NCCCNC(=O)NCCn1cnc(C#N)n1 345427867 FEWFBQNJBOAVQC-UHFFFAOYSA-N 307.358 -0.389 30 20 DBED C=CCCN(C)C(=O)C(=O)NC[C@H]1CCCN1S(C)(=O)=O 347319974 XYUOQABBSUTDJA-LLVKDONJSA-N 317.411 -0.439 30 20 DBED COC(=O)C[C@H]1C(=O)NCCN1C(=O)Cc1noc(C)c1C#N 354344321 HQXXZQSVBBPTGD-NSHDSACASA-N 320.305 -0.713 30 20 DBED N#CCCC[C@@H](N)C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 424073682 FXCZRLRXWMPTDG-CHWSQXEVSA-N 308.382 -0.143 30 20 DBED C#CCNC(=O)C1CCN(C(=O)NCC(=O)N(C)CC)CC1 491102042 LKQZXSVCJPUYGO-UHFFFAOYSA-N 308.382 -0.364 30 20 DBED C#CCNS(=O)(=O)CCCS(=O)(=O)N(C)[C@@H](C)C#N 491451625 GWECMDDNECXMQU-JTQLQIEISA-N 307.397 -0.897 30 20 DBED CC#CCCNC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 541746223 GZBNIRDDEXMARP-NEPJUHHUSA-N 312.391 -0.448 30 20 DBED Cn1c(=O)c2ccc(C(=O)NCC3(C#N)CC3)nc2n(C)c1=O 555862764 OQGFCINKTLPBFS-UHFFFAOYSA-N 313.317 -0.334 30 20 DBED N#Cc1cncc(N2CCN(C(=O)CN3CCOCC3)CC2)n1 579106490 SZKCRMQFOKIIFF-UHFFFAOYSA-N 316.365 -0.671 30 20 DBED CCS(=O)(=O)NCCS(=O)(=O)N(C1CC1)[C@H](C)C#N 594835918 FHVLPVCDBPMINR-SECBINFHSA-N 309.413 -0.368 30 20 DBED CC1(C#N)CN(CC(=O)NC2CCN(S(C)(=O)=O)CC2)C1 602825395 KTZBVABDJGBKOU-UHFFFAOYSA-N 314.411 -0.628 30 20 DBED CC#CC[C@H](CO)NC(=O)c1ccc(CNS(C)(=O)=O)o1 649185969 OQMVIUVZKZOKOT-SNVBAGLBSA-N 314.363 -0.167 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1CNS(=O)(=O)CCS(C)(=O)=O 797841333 LVSUUEKOQIEYOE-MNOVXSKESA-N 311.425 -0.068 30 20 DBED C#CCCCS(=O)(=O)N1CCN(C(=O)C(=O)OCC)CC1 805017442 VSLYRQJQLJGBSZ-UHFFFAOYSA-N 316.379 -0.563 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)C[C@@H]1CCCC(=O)N1 808690007 IZCATAMXYUNPOZ-UWVGGRQHSA-N 311.338 -0.011 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCN(CC2CC2)CC1)[C@@H]1CCCO1 809308485 LUYKBKZRKGXKFJ-GJZGRUSLSA-N 319.405 -0.162 30 20 DBED CON=CC(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 809755022 GTNSCUXAHFLSBJ-LLVKDONJSA-N 319.383 -0.728 30 20 DBED C=C[C@@H](O)C(=O)OCC(=O)Nc1ccccc1S(N)(=O)=O 814548628 FMULQALFPIOLKX-SECBINFHSA-N 314.319 -0.637 30 20 DBED Cn1cc(-c2nn[nH]n2)cc1C(=O)OCC(=O)NCCC#N 822659943 RZYBECLFUZBYQB-UHFFFAOYSA-N 303.282 -0.608 30 20 DBED C#C[C@H](NC(=O)N[C@H]1CCN(S(C)(=O)=O)C1)[C@H]1CCCO1 845125703 ZDHFKZCYTWMWRL-SDDRHHMPSA-N 315.395 -0.500 30 20 DBED N#Cc1ccccc1OC[C@H](O)CNC[C@@H]1CC(C(N)=O)=NO1 863554846 JLXNTHOOPOQHIF-NEPJUHHUSA-N 318.333 -0.482 30 20 DBED CN(C)c1ncc(C=NN2C(=O)[C@@H]3[C@H]4C=C[C@@H](O4)[C@@H]3C2=O)n1C 872424058 CJHSTPUMLYAQTJ-KKOKHZNYSA-N 315.333 -0.242 30 20 DBED CCCn1cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](O4)[C@@H]3C2=O)nn1 872428225 VNJFAOSKPRTHKK-WYUUTHIRSA-N 301.306 -0.040 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N[C@H]1CCCN(CC)C1=O 921896167 ACRFUYYYHXYOQG-NSHDSACASA-N 317.411 -0.103 30 20 DBED C#CCN1CCC(NC(=O)[C@H](CCC)S(N)(=O)=O)CC1 928653157 BBRWYZPXGGQVTD-LBPRGKRZSA-N 301.412 -0.343 30 20 DBED CCN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CCN(C(=O)CC(N)=O)C1 942743853 JTFZODDECNPBTE-LLVKDONJSA-N 317.349 -0.175 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)c2ccc(O)nn2)C1 944459593 AWHYVPMRLMROKA-ZJUUUORDSA-N 319.321 -0.701 30 20 DBED Cc1nc(O)[nH]c1C(=O)NC[C@H]1CN(C(=O)[C@@H](C)C#N)CCO1 944640371 KVPZQEOWZCJVGD-WPRPVWTQSA-N 321.337 -0.459 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CCCN(C(=O)CC(N)=O)C2)cn1 950262010 GSVHBFXIABNEDC-CYBMUJFWSA-N 314.345 -0.341 30 20 DBED C#CCCN1C[C@H](O)[C@H](CNC(=O)c2cccc3ncnn23)C1 958224365 VHMWNWORLUNAIA-OCCSQVGLSA-N 313.361 -0.225 30 20 DBED CC#CCN1C[C@@H](O)[C@H](CNC(=O)c2ccn3nnnc3c2)C1 958320974 SCEUZUKWGTZECO-CHWSQXEVSA-N 314.349 -0.830 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H]2CN(C(=O)c3cncn3C)C[C@@H]21 960875812 VEUUXNYEYHLTIB-KGYLQXTDSA-N 317.349 -0.368 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CC(CNCc2nnn(C)n2)C1 962322629 XMVMFLPHVTUHCX-TUUUFIMRSA-N 320.397 -0.214 30 20 DBED O=C(N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O)[C@H]1C[C@@H]1C(F)F 962627217 QVTNUOJSUOYBRO-YFKTTZPYSA-N 312.316 -0.011 30 20 DBED N#CCN1CCC[C@H]1[C@H]1CCCN(C(=O)Cn2ncnn2)C1 963300375 BPTUKOVBGIVMOG-STQMWFEESA-N 303.370 -0.100 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)c1ccnc(O)c1 964151907 JHLFOGIUMRFDJD-CMPLNLGQSA-N 318.333 -0.096 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)c1cc(=O)n(C)o1 964179000 NCJIDAOEUIYSGM-NXEZZACHSA-N 322.321 -0.905 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)c1cn(C)c(O)n1 964335725 NNNRSSYMKDBUQV-NXEZZACHSA-N 321.337 -0.757 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(C[C@@H](NC(=O)[C@@H]3[C@H]4COC[C@H]43)CO2)C1 965775884 MFRDHNGJGBIJJL-OBPIAQAESA-N 319.361 -0.475 30 20 DBED C[C@@H](NC(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1)C1CN(CC#N)C1 970420692 RHSANFJSYWUSBI-RTXFEEFZSA-N 308.382 -0.418 30 20 DBED C#CCCN1C[C@H]2CC[C@H]1CN2C(=O)c1cnc(O)n(C)c1=O 971675072 BVPMMHROIIJBRH-NWDGAFQWSA-N 316.361 -0.202 30 20 DBED C=CCN1CCO[C@@]2(CCN(C(=O)[C@H]3CC(=O)N(C)C3)C2)C1 972410914 XBKNCEXZIGXCQY-BBRMVZONSA-N 307.394 -0.046 30 20 DBED O=C(N[C@H]1[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]21)c1cc[n+]([O-])cc1 976112552 YFJLSGQIOKLVLV-FOLVSLTJSA-N 311.341 -0.080 30 20 DBED Cc1nn(CC(=O)N[C@H]2CCC[C@H](NCC#N)C2)c(=O)n1C 981488215 VCSNZVUCZSQGQQ-RYUDHWBXSA-N 306.370 -0.569 30 20 DBED CC1(C)NC(=O)N(CC(=O)N[C@@H]2CCC[C@H](NCC#N)C2)C1=O 981503279 SBBDLGFLWHTSHO-WDEREUQCSA-N 321.381 -0.143 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H]2C[C@H](CN[C@H]3CCNC3=O)C2)c1 983421404 BXWCZJOHDBIRKC-DLOVCJGASA-N 301.350 -0.127 30 20 DBED C[C@H](C#N)C(=O)N1CCC(N(C)CC(=O)N2CCOCC2)CC1 985337828 BLLQQQCYUOFYSV-CYBMUJFWSA-N 322.409 -0.072 30 20 DBED C[C@H]1[C@@H](NCC#N)CCN1C(=O)C1CC2(C1)CS(=O)(=O)C2 986422173 FRDSTGOWOFTHDC-JQWIXIFHSA-N 311.407 -0.086 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)c2nnc(O)nc2O)[C@H]1C 989115231 ZRLADDYGACSNDM-RNJXMRFFSA-N 320.309 -0.838 30 20 DBED O=C(Cc1cc[nH]n1)N[C@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1O 991366780 UNDMZXWNDWFQKQ-KBPBESRZSA-N 316.361 -0.556 30 20 DBED C#CCN1CC[C@]2(NC(=O)[C@@H]3CN(C(C)=O)CCO3)CCC[C@H]12 992465231 JPJZYRWXGVDWAU-YQQAZPJKSA-N 319.405 -0.020 30 20 DBED C#CCN1CCC[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)[C@H]1C 993410496 HDIIVHUSYCUIGA-CHWSQXEVSA-N 318.377 -0.851 30 20 DBED C[C@@H]1[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)CCCN1CC#N 993921929 ZAAYBWAGMAHXCK-PWSUYJOCSA-N 319.365 -0.810 30 20 DBED C#CCN1CCC[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)[C@@H]1C 994361283 GRSSMSMWVBPBMM-NWDGAFQWSA-N 306.366 -0.517 30 20 DBED C[C@@H](C#N)C(=O)N1CC(N2C[C@@H](NC(=O)C(F)F)CC2=O)C1 995465270 PFSAVCCSGRPEBV-YUMQZZPRSA-N 314.292 -0.661 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](NCCN2CCNC2=O)C(C)(C)C1 995546579 DZVOIIDZBDXYLD-VXGBXAGGSA-N 307.398 -0.002 30 20 DBED CN1C(=O)CC[C@H]1C(=O)NC1CN(C(=O)c2ccc(C#N)[nH]2)C1 997863364 QKSHEHWDQWHXJF-LBPRGKRZSA-N 315.333 -0.552 30 20 DBED C=CCn1cc(C(=O)N2CC(CNC(=O)c3ncc[nH]3)C2)nn1 1001773274 DTRZZQJLPSVZTR-UHFFFAOYSA-N 315.337 -0.311 30 20 DBED C=CCn1cc(C(=O)N(C)C2CCN(CC(=O)NC)CC2)nn1 1006103812 NPEIHGHIPWMDRB-UHFFFAOYSA-N 320.397 -0.254 30 20 DBED NC(=O)[C@@H]1CC[C@H](C(=O)N2CCN(C(=O)C#CC3CC3)CC2)C1 1011110278 SHDCNCCQQGMBJQ-KGLIPLIRSA-N 317.389 -0.028 30 20 DBED C[C@H]1[C@@H](NC(=O)Cn2cnnn2)CCCN1C(=O)C#CC1CC1 1014748049 YDTSBWLMTWUDST-AAEUAGOBSA-N 316.365 -0.418 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cnc3c(c2)NC(=O)CO3)C1 1015128855 TZNWNEJEWCQYOA-NSHDSACASA-N 300.318 -0.150 30 20 DBED C=CCN1CC[C@H](N[C@H]2CCN(C(=O)C(C)(C)C(N)=O)C2)C1=O 1018998267 XXBVLHUUSWHDKJ-RYUDHWBXSA-N 322.409 -0.525 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCN(C(=O)C(C)(C)C(N)=O)C2)C1 1019367037 OLSMCRLWGRUFQC-JTQLQIEISA-N 306.366 -0.282 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2CCCCN2CC(N)=O)nn1 1024700342 YEHZPZHKWGQLII-NSHDSACASA-N 306.370 -0.466 30 20 DBED C=CCn1cc(C(=O)N2C[C@@H]3CC[C@@H](NCCO)[C@H]3C2)nn1 1026372057 SBTINUIXBMYGPH-RWMBFGLXSA-N 305.382 -0.103 30 20 DBED C=CCn1cc(C(=O)N2CC[C@@H](CN[C@H]3CCNC3=O)C2)nn1 1027110366 LLXPHLSDMZRDAI-RYUDHWBXSA-N 318.381 -0.596 30 20 DBED C=CCN1CC[C@H](CNC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 1028725172 VMFDYNWCFVGRGV-LLVKDONJSA-N 316.369 -0.068 30 20 DBED C=CCCn1cc(C(=O)NC[C@@H]2CCN([C@H](C)C(N)=O)C2)nn1 1028858125 NAZKUOGUYCMIDX-NEPJUHHUSA-N 320.397 -0.220 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CN(Cc2nnnn2C)C1 1031088148 LUJNFOFGMOICIA-AAEUAGOBSA-N 306.370 -0.508 30 20 DBED C#CCOc1ncccc1C(=O)NC1CN([C@H](C)C(N)=O)C1 1031276217 QLPRBZOQMKPSHH-SNVBAGLBSA-N 302.334 -0.619 30 20 DBED C=C(C)CN1CC[C@H](N(C)C(=O)[C@H]2CCS(=O)(=O)N2)C1 1033671091 LZNDKHVJUJJRAL-NWDGAFQWSA-N 301.412 -0.213 30 20 DBED C[C@H](C(N)=O)N1CCO[C@@H](CNC(=O)c2ccc(C#N)[nH]2)C1 1035331179 HJWRVBDOFSHDMS-KOLCDFICSA-N 305.338 -0.809 30 20 DBED CC#CCN1CCO[C@H](CNC(=O)[C@@H]2CCCN(C(N)=O)C2)C1 1035434789 IULBIEHROCHHLZ-ZIAGYGMSSA-N 322.409 -0.383 30 20 DBED C#CCN1CC2(CCN(C(=O)[C@@H]3CCS(=O)(=O)N3)CC2)C1 1035854199 IBSBULAYYASIOF-LBPRGKRZSA-N 311.407 -0.764 30 20 DBED Cn1cnc(C(=O)N2CC[C@H]3[C@@H](CCN3CC#N)C2)cc1=O 1036739611 BKRMVZPSDYVKTG-AAEUAGOBSA-N 301.350 -0.160 30 20 DBED C#CCOCCC(=O)NC[C@]1(O)CCN(C(=O)CC2CC2)C1 1039718517 BTLGANXLDHFLKN-MRXNPFEDSA-N 308.378 -0.094 30 20 DBED CCCN(C)CC(=O)NC[C@]1(O)CCN(C(=O)[C@H](C)C#N)C1 1040448224 XUKMYUFRUHIZHT-IUODEOHRSA-N 310.398 -0.433 30 20 DBED N#Cc1nccc(N2C[C@@H]3CCN(C(=O)Cn4cncn4)[C@@H]3C2)n1 1040625838 GSORUSBIEPMLJL-NWDGAFQWSA-N 324.348 -0.323 30 20 DBED O=C(C#CC1CC1)N1CC[C@@](O)(CNC(=O)[C@@]2(F)CCOC2)C1 1040649786 BEGHNNGLCMFFTP-HZPDHXFCSA-N 324.352 -0.392 30 20 DBED Cc1ncncc1C(=O)N1CC[C@@](O)(CNC(=O)[C@H](C)C#N)C1 1040764638 XBXAFTFTMSGKJA-MEBBXXQBSA-N 317.349 -0.362 30 20 DBED N#Cc1nccc(N2C[C@@H](O)[C@H](NC(=O)C[C@H]3CCOC3)C2)n1 1040961078 AQZUZGAQHODDQL-IJLUTSLNSA-N 317.349 -0.559 30 20 DBED N#Cc1cnc(N2C[C@@H](O)[C@H](NC(=O)Cc3ccco3)C2)cn1 1041136679 FUCFBDHWOXVPLE-CHWSQXEVSA-N 313.317 -0.150 30 20 DBED COC[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2c[nH]c(C#N)c2)C1 1042023139 JVGSGJHPAOEIKY-SNVBAGLBSA-N 320.349 -0.528 30 20 DBED C[C@H]1C[C@H]1C(=O)N1CC(O)(CNC(=O)c2c[nH]c(C#N)c2)C1 1042666737 KKHJEMGKSTXXQK-JOYOIKCWSA-N 302.334 -0.155 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NCC1(O)CN(C(=O)COC)C1 1043255683 WPTBOPVMXRANSE-NEPJUHHUSA-N 312.366 -0.697 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)C2(N(C)C)CCC2)C1 1043454945 KGLVCKJUITXFHO-UHFFFAOYSA-N 321.421 -0.036 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)C(C)(C)N2CCCC2)C1 1044391235 NWEXTTNTYREMOY-GFCCVEGCSA-N 322.409 -0.290 30 20 DBED N#Cc1cccnc1N1C[C@H](O)[C@H](NC(=O)[C@@]23COC[C@@H]2C3)C1 1044689114 KMTWTKAEXFHCAY-ZWUHOBOKSA-N 314.345 -0.345 30 20 DBED C=C(C)C[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2nnn(C)n2)C1 1045064273 OITAVLJZLCSVNJ-SNVBAGLBSA-N 322.369 -0.885 30 20 DBED CCO[C@@H]1CN(C(=O)C(N)=O)C[C@H]1CNc1cnc(C#N)cn1 1047926087 YABXEPFFNGQMFM-MWLCHTKSSA-N 318.337 -0.891 30 20 DBED C#CCO[C@H](C)C(=O)N(C)[C@H]1CN(C(=O)COCC)C[C@@H]1O 1048844612 OJMKPIMRCYLXEA-AGIUHOORSA-N 312.366 -0.909 30 20 DBED C=CCOCC(=O)N1CC[C@@H]([C@H](C)NC(=O)c2nnn(C)n2)C1 1050304177 MUHUIQYTOJVWKJ-WDEREUQCSA-N 322.369 -0.621 30 20 DBED N#Cc1cnc(N2CC[C@H](NC(=O)c3cocn3)[C@@H](O)C2)cn1 1051639640 RQZXZVZWVYEIJZ-JQWIXIFHSA-N 314.305 -0.294 30 20 DBED N#Cc1ccc(NC2CC(CNC(=O)[C@H]3C[C@H]3C(N)=O)C2)nn1 1052089680 XWTLBCVLBMXKOV-PPUYLDTBSA-N 314.349 -0.224 30 20 DBED C=CCOCCCC(=O)N1C[C@H](C)[C@H](CNC(=O)C(N)=O)C1 1052312982 GQWRQTZYSBFIQH-NWDGAFQWSA-N 311.382 -0.335 30 20 DBED CNC(=O)NCC(=O)N1C[C@H](CNC(=O)C#CC(C)C)[C@@H](C)C1 1052776355 MSUQQNHLHJOFIB-STQMWFEESA-N 322.409 -0.215 30 20 DBED CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1COC2(C1)CN(CC#N)C2 1053923229 QYSIYXAGHZYXPG-GRYCIOLGSA-N 306.366 -0.806 30 20 DBED CC[C@@H]1CCCN1C(=O)C(=O)N[C@H]1COC2(C1)CN(CC#N)C2 1053974040 FURCECXIYNGRTD-CHWSQXEVSA-N 320.393 -0.130 30 20 DBED C#CCOCCC(=O)N1C[C@H]2CN(C(=O)[C@@H]3CCOC3)C[C@H]2C1 1055218523 QUPNMPBAJGUAAN-KFWWJZLASA-N 320.389 -0.020 30 20 DBED C=CCCCC(=O)N1C[C@H]2CN(C(=O)[C@H]3CNC(=O)N3)C[C@H]2C1 1055446981 IIDWMTADPAPOIR-FRRDWIJNSA-N 320.393 -0.059 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@](CO)(NC(=O)CC2(O)CCC2)C1 1055934996 LFFNOPSVMOLPOJ-IUODEOHRSA-N 323.393 -0.079 30 20 DBED C=CCCOCC(=O)N[C@@]1(CO)CCCN(C(=O)COC)C1 1055985952 DDUIGSLRQMPSMY-HNNXBMFYSA-N 314.382 -0.305 30 20 DBED C[C@H](C#N)C(=O)N[C@@]1(CO)CCCN(C(=O)Cn2cccn2)C1 1056093833 OCXAHFDXDJVHLQ-DOMZBBRYSA-N 319.365 -0.488 30 20 DBED N#Cc1cccnc1N1C[C@@H]2C(NC(=O)c3c[nH]c(=O)cn3)[C@H]2C1 1056388965 IRNAMAKAZKWTBO-QWRGUYRKSA-N 322.328 -0.099 30 20 DBED CC[C@@H](OC)C(=O)NCCN(CCO)C(=O)CSCC#N 1057026966 STCXIYQMDHOHHR-LLVKDONJSA-N 317.411 -0.395 30 20 DBED C=C(C)CCC(=O)NCCN(CCO)C(=O)[C@H]1COCCO1 1057043657 JHEFIGSBKFOMCX-CYBMUJFWSA-N 314.382 -0.305 30 20 DBED C#CCNC(=O)CC(=O)NCCN(CCO)C(=O)C1=CCCC1 1057336908 HZUIBTBTLAMNLS-UHFFFAOYSA-N 321.377 -0.827 30 20 DBED Cc1cc(C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N)ncn1 1057359441 FPQZDGVNTPVMJO-JTQLQIEISA-N 305.338 -0.505 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)CCn1ccnn1 1057433324 LVJBIDSKNLJNAK-UHFFFAOYSA-N 321.381 -0.591 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)[C@@H]1CC(=O)N(C)C1 1057446592 FTXKDXUKGZSCDN-CYBMUJFWSA-N 323.393 -0.795 30 20 DBED C=C[C@@H](C)[C@@H](C)C(=O)NCCN(CCO)C(=O)c1cnnn1C 1057474168 CWJBAEZMYRRZKM-VXGBXAGGSA-N 323.397 -0.176 30 20 DBED Cc1cnn(CC(=O)NCCN(CCO)C(=O)C#CC(C)C)c1 1057516829 AYHDBCIUGNZMBK-UHFFFAOYSA-N 320.393 -0.212 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)C[C@@H]1CCC(=O)N1C 1058281344 UEPJKGHFNBBDBM-NEPJUHHUSA-N 324.381 -0.906 30 20 DBED C=CC(C)(C)C(=O)N(CCO)CCNC(=O)[C@H]1CCC(=O)N1 1058300278 DMTGWXNGRWTXKN-LLVKDONJSA-N 311.382 -0.586 30 20 DBED CC[C@@H]1OCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N 1058654839 JWOYKRZVTBVGLA-XQQFMLRXSA-N 311.382 -0.102 30 20 DBED N#Cc1nc(=NC[C@@H]2CCN(C(=O)[C@@H]3COCCO3)C2)cc[nH]1 1060821157 SEYBSVMWQXDZBN-RYUDHWBXSA-N 317.349 -0.554 30 20 DBED N#CCSCC(=O)NC[C@H]1COCCN1C(=O)C(F)F 1061321930 XIYGDVKERLRZJY-QMMMGPOBSA-N 307.322 -0.148 30 20 DBED C#CCOCCC(=O)NC[C@@H]1COCCN1C(=O)[C@H](C)OC 1061580935 IHBLNPMQSYOZMF-QWHCGFSZSA-N 312.366 -0.595 30 20 DBED C=CCO[C@H](C)C(=O)NC[C@@H]1COCCN1C(=O)c1cn[nH]c1 1061667521 HNUCCBSRWRWPMD-DGCLKSJQSA-N 322.365 -0.042 30 20 DBED C#Cc1ccc(C(=O)NCC2(NC(=O)CC(N)=O)CCC2)cn1 1063836068 DYSFUWYTXFNEBS-UHFFFAOYSA-N 314.345 -0.293 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H]1CCCC[C@H]1NC(=O)C(N)=O 1064189769 TVLKKNOPRLJMKF-ZWNOBZJWSA-N 301.350 -0.053 30 20 DBED Cn1ncc(C(=O)N[C@@H]2[C@H]3C[C@H]2N(c2cnc(C#N)cn2)C3)n1 1064274763 DYMLVNHWPSXIAY-RLCGTCKNSA-N 310.321 -0.516 30 20 DBED Cc1ncn(C)c1C(=O)N1CCO[C@@H](CNC(=O)[C@H](C)C#N)C1 1065266167 WOSGZRHXRNUHJO-PWSUYJOCSA-N 319.365 -0.155 30 20 DBED CCNC(=O)CCC(=O)NC[C@@H]1CN(C(=O)[C@H](C)C#N)CCO1 1065558001 XSDMGWFWABVWEB-VXGBXAGGSA-N 324.381 -0.594 30 20 DBED C=CCOCC(=O)N1CCC[C@H](NC(=O)[C@H]2CNC(=O)N2)CC1 1066458947 QQSOMQWGESLBBF-NWDGAFQWSA-N 324.381 -0.632 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@H](CN=c2cc[nH]c(C#N)n2)C1 1066601915 IEHUFCGWOXQYMM-GHMZBOCLSA-N 300.322 -0.431 30 20 DBED CC(C)C#CC(=O)N(C)CCCN(C)C(=O)CS(C)(=O)=O 1066958935 BNZCUFICTCPWDO-UHFFFAOYSA-N 316.423 -0.003 30 20 DBED C[C@H]1CN(C(=O)Cc2nc[nH]n2)C[C@H]1Nc1cnc(C#N)cn1 1067144619 MKYZLMOTDVMNTG-GXSJLCMTSA-N 312.337 -0.032 30 20 DBED CC(=O)NCC(=O)N1CC2(CC[C@H](CNC(=O)[C@H](C)C#N)O2)C1 1068617673 DTGZDEIOEHAJQB-ZYHUDNBSSA-N 322.365 -0.842 30 20 DBED CC(=O)N[C@H](C)C(=O)NC1(CNC(=O)[C@@H](C)C#N)CCOCC1 1069969967 OPWCVWUHLXTUCE-WDEREUQCSA-N 324.381 -0.548 30 20 DBED Cn1cc(C(=O)N2C[C@H]3C[C@@H]4CN(CC#N)C[C@]3(C2)O4)nn1 1070795186 MFBPWGSCTODMCF-JTNHKYCSSA-N 302.338 -0.746 30 20 DBED C[C@H]1CN(C(=O)CSCC#N)C[C@H]1NC(=O)c1ncn(C)n1 1071661561 LXANOZAGVMBPJP-VHSXEESVSA-N 322.394 -0.351 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(C(=O)Cn2cnnc2O)C[C@H]1C 1071943602 PEPQVKLJIMCHMT-VXGBXAGGSA-N 319.365 -0.394 30 20 DBED C#CCCCC(=O)N1CCC(O)(CNC(=O)CNC(C)=O)CC1 1074565859 WJFWSRWRIUCQIV-UHFFFAOYSA-N 323.393 -0.604 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)CCNC(=O)CC(N)=O 1075998584 AAUSBQVWWUUGFB-MJVIPROJSA-N 311.382 -0.146 30 20 DBED C[C@@H](CCNC(=O)[C@H](C)N1CCOCC1)NC(=O)[C@H](C)C#N 1077313970 SDDCULXIPDKJAT-AGIUHOORSA-N 310.398 -0.122 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2cccnc2-n2cccn2)C1 1077488664 AOUBFJBNGYPAAC-CHWSQXEVSA-N 312.333 -0.434 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)c2ccc3c(c2)C(=O)NC3=O)C1 1078028051 WMFFWOCUJUEDSK-CHWSQXEVSA-N 315.329 -0.469 30 20 DBED Cn1cc(C(=O)N[C@H]2C[C@@H](NCC#N)C23CCC3)c(O)nc1=O 1078805226 DQRFIVDPDAQYFF-MNOVXSKESA-N 317.349 -0.360 30 20 DBED C#CCNC(=O)CC(=O)N(CC)C1CN(C(=O)[C@@H]2CCCO2)C1 1079644339 DMSNUBPFLIADKP-ZDUSSCGKSA-N 321.377 -0.636 30 20 DBED CCN(C(=O)C#CC1CC1)C1CN(C(=O)C(=O)NCC2CC2)C1 1079738204 QUVLZIHPVVKROV-UHFFFAOYSA-N 317.389 -0.015 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2CN([C@@H](C)C(N)=O)C[C@H]2C)c1 1080409878 ODVBOJBVCFYLCB-UHIISALHSA-N 300.362 -0.013 30 20 DBED CC(=O)NCC(=O)NC[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@@H]1O 1081204162 FTSTWPSAVVSXRQ-OLZOCXBDSA-N 323.393 -0.893 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2cnn(C)c2)C1 1081248263 NNUKZGYOLXYCKE-DGCLKSJQSA-N 306.366 -0.065 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)C[C@@H]2CCC(=O)N2)C1 1083855132 WWVVSSZREKDBAD-AXFHLTTASA-N 301.774 -0.431 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCCCN2C(=O)CCC)C1 1084085067 KMXOBJCTBQOVKB-ILXRZTDVSA-N 321.421 -0.038 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)c2ccc(C(N)=O)cn2)C1 1084112631 BCUHVAFNGZPJFE-NEPJUHHUSA-N 324.768 -0.292 30 20 DBED C#CCN[C@H]1C[C@H](CNC(=O)[C@@H]2CC(=O)N(CCOC)C2)C1 1086380871 FLLLAFQXLWOIJJ-MGPQQGTHSA-N 307.394 -0.401 30 20 DBED C[C@@H](CC(N)=O)C(=O)N1CC[C@H](N=c2cc[nH]c(C#N)n2)[C@@H]1C 1090239927 WXGGCCBVGNQOBB-DCAQKATOSA-N 316.365 -0.317 30 20 DBED C=CCCCC(=O)N[C@@H]1CN(c2nccn3nnnc23)C[C@H]1O 1090527221 SRHCCRHHQWJXSH-GHMZBOCLSA-N 317.353 -0.459 30 20 DBED C=CCN1CC[C@H](NC(=O)Cn2c(C)csc2=O)[C@@H](O)C1 1090797156 UYTBCKUXBYBNPF-RYUDHWBXSA-N 311.407 -0.044 30 20 DBED CNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(C#N)nn1 1092955851 ADHZONHBSRHUSR-UTUOFQBUSA-N 314.349 -0.290 30 20 DBED CNC(=O)NCC(=O)NC1[C@H]2CN(c3ncccc3C#N)C[C@H]12 1093362798 XXQSJBXCHRMFBB-QWRGUYRKSA-N 314.349 -0.567 30 20 DBED C[C@H](CN1CCOCC1)C(=O)NCCNc1cncc(C#N)n1 1093643480 ODJOORNGOMDPGW-GFCCVEGCSA-N 318.381 -0.155 30 20 DBED COCC(=O)NCCC(=O)NCCNc1ccc(C#N)cn1 1094196668 MXRNBVZBPKGFMU-UHFFFAOYSA-N 305.338 -0.366 30 20 DBED Cc1[nH]nc(C(=O)NCc2cn(C3CN(CC#N)C3)nn2)c1O 1094283874 MCNXZORIVIUTRU-UHFFFAOYSA-N 316.325 -0.675 30 20 DBED CN1CCOC[C@H]1C(=O)NCCCNc1nccnc1C#N 1094395464 KGHBLVHFNPHUOG-LBPRGKRZSA-N 304.354 -0.403 30 20 DBED CC#CCN1CC(N2C[C@@H](NC(=O)c3cnsn3)CC2=O)C1 1094711592 IXXPHZQNTVZDCZ-JTQLQIEISA-N 319.390 -0.424 30 20 DBED C=CCCN1CC(N2C[C@H](NC(=O)[C@H]3CCN(C)C3)CC2=O)C1 1094815396 RVRAYSRSUGQCDH-UONOGXRCSA-N 320.437 -0.085 30 20 DBED C[C@H](CNC(=O)C1CC(=O)NC(=O)C1)Nc1ccc(C#N)nn1 1097937584 ZPJZTHAODAYKLN-MRVPVSSYSA-N 316.321 -0.682 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2n[nH]c(C)c2O)[C@@H](O)C1 1099771216 DDBDDODOSZHOBN-RYUDHWBXSA-N 322.365 -0.761 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CCN(CCOCCO)C[C@@H]2O)[nH]1 1099774787 DQGJOXXECNCICD-OCCSQVGLSA-N 322.365 -0.940 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)CC2=CCOCC2)[C@H](O)C1 1099988495 IZQMYTFKFCEHQG-HZPDHXFCSA-N 322.405 -0.076 30 20 DBED C#CCCN1CC[C@H](NC(=O)CS(=O)(=O)C(C)C)[C@H](O)C1 1100116189 PNBNIKFWYCCZCY-QWHCGFSZSA-N 316.423 -0.616 30 20 DBED C[C@H](C(=O)NCCN(C)c1ccnc(C#N)n1)[C@H]1CCC(=O)N1 1100334266 WAAJHKBEFCKFQU-WDEREUQCSA-N 316.365 -0.185 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CC(CNC(=O)c2ccncn2)C1 1100773894 UQQKCIDWQBHFQJ-PNESKVBLSA-N 315.377 -0.288 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)[C@H]1CCNC(=O)CC1 1101869475 VNLSNGDZKQXVBK-LLVKDONJSA-N 316.365 -0.443 30 20 DBED CN(CCNc1cncc(C#N)n1)C(=O)[C@@H]1CC[C@H]1C(N)=O 1101902006 JKMCXKBCPDGUIF-GHMZBOCLSA-N 302.338 -0.270 30 20 DBED COCC#CCN1C[C@@H](C)[C@H](CNC(=O)[C@@H]2COC(=O)N2)C1 1101927409 DIABFSYISUDEOG-UPJWGTAASA-N 309.366 -0.571 30 20 DBED CC[C@H](CNC(=O)COCCOC)N=c1cc[nH]c(C#N)n1 1103030381 BXAWKBKXZCQGDU-LLVKDONJSA-N 307.354 -0.260 30 20 DBED CC[C@@H](CNC(=O)CCn1cnnn1)Nc1cnc(C#N)cn1 1103173625 MUNJINCPNJSYNL-JTQLQIEISA-N 315.341 -0.268 30 20 DBED CC[C@H](CNC(=O)CCn1cnnn1)N=c1cc[nH]c(C#N)n1 1103173674 NOVNZYJIGLUGQV-SNVBAGLBSA-N 315.341 -0.846 30 20 DBED CNC(=O)NCC(=O)NC[C@H](C)CNc1cncc(C#N)n1 1104246354 QIXPKPSVXZYVEY-SECBINFHSA-N 305.342 -0.559 30 20 DBED C[C@@H](CNc1ccc(C#N)nn1)N(C)C(=O)CS(C)(=O)=O 1104497581 HTULKHQRUKCZEJ-VIFPVBQESA-N 311.367 -0.348 30 20 DBED C[C@H](CNc1cncc(C#N)n1)N(C)C(=O)[C@@H]1CN(C)CCO1 1104539252 XAPMJZFCBORTDG-YPMHNXCESA-N 318.381 -0.062 30 20 DBED CC#CCNCc1cn(C2CN(C(=O)Cn3cccn3)C2)nn1 1105155490 GZCKMWKVVWFGDH-UHFFFAOYSA-N 313.365 -0.329 30 20 DBED Cc1ncn(C)c1C(=O)N1CC(n2cc(CNCC#N)nn2)C1 1105264593 MJNNXXPTNKVCHS-UHFFFAOYSA-N 314.353 -0.370 30 20 DBED Cc1cc(C(=O)NC[C@@H](O)CN=c2cc[nH]c(C#N)n2)no1 1105709487 NPEUHCDXDJBGHV-VIFPVBQESA-N 302.294 -0.731 30 20 DBED N#Cc1nccnc1NC[C@@H](O)CNC(=O)CCn1cccn1 1105756575 WOGSFEBOQJMZGU-NSHDSACASA-N 315.337 -0.476 30 20 DBED CCO[C@H](C)C(=O)NC[C@@H](O)CN=c1cc(C)[nH]cc1C#N 1105770104 VEEWWTXQGWTMNK-YPMHNXCESA-N 306.366 -0.002 30 20 DBED Cn1ncc(C(=O)NC[C@H](O)CNc2ccc(C#N)cn2)n1 1105898875 UOQJLJUNIBJZCN-SNVBAGLBSA-N 301.310 -0.715 30 20 DBED Cc1nc(NC[C@@H](O)CNC(=O)c2[nH]nnc2C)ccc1C#N 1106035934 OJCCGDVUSNBXKR-LLVKDONJSA-N 315.337 -0.109 30 20 DBED C=CCN1CC(n2cc(CNC(=O)[C@]3(C)CNC(=O)C3)nn2)C1 1107186769 AYJRAIVPLMQDRE-HNNXBMFYSA-N 318.381 -0.537 30 20 DBED C=CCCN1CCO[C@](C)(CNC(=O)c2nnc(O)nc2O)C1 1108051289 HTHJMIFGQGZQSN-CQSZACIVSA-N 323.353 -0.320 30 20 DBED COCC#CCN1CCO[C@@](C)(CNC(=O)Cc2ncc[nH]2)C1 1108305071 WCIWWXGOVXVRIV-INIZCTEOSA-N 320.393 -0.191 30 20 DBED CC(=O)N1CCC[C@H]1C(=O)N[C@@H](C)CN=c1cc[nH]c(C#N)n1 1108470493 QYXHFQGXRFXVGA-JQWIXIFHSA-N 316.365 -0.302 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)[C@H](OC)C3CCC3)CC2=O)C1 1108558991 LJCHPNQNKJSYLD-CZUORRHYSA-N 319.405 -0.164 30 20 DBED C[C@@H](CN(C)c1ccc(C#N)nn1)NC(=O)[C@@H]1CCC(=O)N1 1109026940 APVLHVGQKHLLHE-ONGXEEELSA-N 302.338 -0.432 30 20 DBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cocn1 1109065796 PHKLBBPYTBNOLI-SCVCMEIPSA-N 303.322 -0.351 30 20 DBED CN1C[C@@H](C(=O)N(C)CCCNc2nccnc2C#N)NC1=O 1109578532 GYHXRFAXACPADU-NSHDSACASA-N 317.353 -0.368 30 20 DBED CC(=O)N(C)CC(=O)N[C@H]1[C@H]2C[C@H]1N(c1ccnc(C#N)n1)C2 1109682943 UCNTUVFDOCUTQW-RWSFTLGLSA-N 314.349 -0.480 30 20 DBED CC(C)C#CC(=O)N[C@@H]1[C@H]2C[C@H]1N(c1nccn3nnnc13)C2 1109705544 GQAHTAYNLBAVFT-DMDPSCGWSA-N 311.349 -0.128 30 20 DBED CCc1nc(C#N)cc(NC[C@@H](NC(=O)C(N)=O)C2CC2)n1 1109966651 ACHKELIFOHIKEP-SNVBAGLBSA-N 302.338 -0.297 30 20 DBED C#CCN(C(=O)C(N)=O)C1CCN(c2ncc(F)cn2)CC1 1110628398 ALEFMEPGROLUDR-UHFFFAOYSA-N 305.313 -0.468 30 20 DBED C[C@H](C#N)C(=O)N[C@]1(CO)CCCN(c2nccnc2C#N)C1 1111343177 OHBHFTUFXZYPOX-IAQYHMDHSA-N 314.349 -0.045 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)c2cnns2)CC1 1112649759 QUTSYGMKPMKDJN-SNVBAGLBSA-N 307.379 -0.566 30 20 DBED COCCC(=O)NC[C@@H]1CN(c2ccncc2C#N)C[C@@H]1O 1112690182 YAGYOHJISSQJAZ-OCCSQVGLSA-N 304.350 -0.097 30 20 DBED CCCOCC(=O)NC[C@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1112708847 AGZAEZYLNSMZAQ-AAEUAGOBSA-N 319.365 -0.312 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)c2nn(C)cc2C)CC1 1112834375 KZLJTURJKRAUCP-CYBMUJFWSA-N 317.393 -0.376 30 20 DBED C[C@H](NC(=O)Cn1cnnc1O)[C@@H](C)Nc1cnc(C#N)cn1 1112978008 JCKUGSKRARXGFO-BDAKNGLRSA-N 316.325 -0.349 30 20 DBED COCC#CCN1CCN(C(=O)[C@]2(COC)CCOC2)CC1 1113161973 QDOOWJBBJVQFLI-INIZCTEOSA-N 310.394 -0.167 30 20 DBED C[C@H](CNC(=O)C(=O)NCC1CC1)N(C)c1cnc(C#N)cn1 1113691788 HGLQXSAWOUOINV-SNVBAGLBSA-N 316.365 -0.185 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)c3cnccn3)[C@H]2C1 1113790488 IVRBSQDCNZIICF-NMKXLXIOSA-N 315.377 -0.173 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)c3ccc(C)nn3)[C@@H]2C1 1114244896 GSHNNEQLLQDXKQ-VXGBXAGGSA-N 315.377 -0.253 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CN(c2nccnc2C#N)CC1(C)C 1114419596 NOGMEHMVEVZSOG-GFCCVEGCSA-N 316.365 -0.185 30 20 DBED C=CCN1C[C@H]2[C@H](NC(=O)CCC(=O)N3CCOCC3)[C@H]2C1 1115209026 OTCFEBAYLMBZCS-VIKVFOODSA-N 307.394 -0.142 30 20 DBED C=CCCOCC(=O)NC1[C@@H]2CN(CCS(C)(=O)=O)C[C@@H]12 1115324975 ZCEJHEDVYUFAGI-VXGBXAGGSA-N 316.423 -0.330 30 20 DBED N#CCNC1(CNC(=O)Cn2ccc(O)nc2=O)CCCCC1 1115618825 ZDIUHMRHTAUDAW-UHFFFAOYSA-N 319.365 -0.119 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)NCCOC2CCCC2)C1 1118211771 VMPQSSZGWYFFKZ-HNNXBMFYSA-N 309.366 -0.061 30 20 DBED O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCN2CC[C@H]1C2 1118709365 ITFLHEVXFLWQHK-ICFTUWFRSA-N 304.350 -0.181 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)NCC2(N)CCC2)CCN1C1CC1 1119294068 LNJDSZZCJIJLET-GFCCVEGCSA-N 305.382 -0.817 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2C[C@@H](N)C2)C1=O 1119368281 IARDYMMSOMLRRR-TUAOUCFPSA-N 308.382 -0.915 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N1CCC[C@@H]1C1OCCO1 1119892498 KQISOIJIZOHMDT-QWHCGFSZSA-N 324.377 -0.105 30 20 DBED Cc1c(C(=O)NC[C@H](CO)Nc2nccnc2C#N)cnn1C 1121044574 RLNNXWPQTYJIIC-SNVBAGLBSA-N 315.337 -0.407 30 20 DBED Cc1cc(C(=O)NC[C@@H](CO)N=c2cc[nH]cc2C#N)ncn1 1121310696 LDJVHBFPQWZGSF-LBPRGKRZSA-N 312.333 -0.324 30 20 DBED CC(C)[C@@H](C(=O)NC[C@H](CO)N=c1cc[nH]cc1C#N)N(C)C 1121841162 YJLLCSIFWWBREN-HIFRSBDPSA-N 319.409 -0.150 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)c2csc(O)n2)nn1 1122431768 YZDAAVZWSYFUTN-QMMMGPOBSA-N 320.334 -0.287 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CCCN(c2ccc(C#N)nn2)[C@@H]1C 1123512100 BTSNLPMKZPMFRL-ZWNOBZJWSA-N 316.365 -0.042 30 20 DBED CN(C[C@H](O)CNc1nccnc1C#N)C(=O)c1ccnn1C 1124150190 QXGSMOPZLYIBEB-SNVBAGLBSA-N 315.337 -0.373 30 20 DBED C=CCOCC(=O)N(C)C[C@@H](O)CNc1cc(C)nc(CO)n1 1124196528 NPVHCCCNUHZJQG-LBPRGKRZSA-N 324.381 -0.289 30 20 DBED Cc1nonc1C(=O)N(C)C[C@@H](O)CN=c1cc[nH]cc1C#N 1124399331 OLFBMTPLDISKIJ-NSHDSACASA-N 316.321 -0.388 30 20 DBED C=CCOCC(=O)NCCN[C@H](C)C(=O)NC(=O)NC1CC1 1124772935 MBGFPJVFZJVQPB-SNVBAGLBSA-N 312.370 -0.729 30 20 DBED COC[C@H](C)C(=O)N(C)C[C@@H](O)CN(C)c1cncc(C#N)n1 1124988811 NKLXVVLURLEMKF-AAEUAGOBSA-N 321.381 -0.114 30 20 DBED CN(C[C@@H](O)CN(C)c1cncc(C#N)n1)C(=O)[C@@H]1CCOC1 1124993665 CVKFUUGKYFVJPJ-YPMHNXCESA-N 319.365 -0.360 30 20 DBED C#CCNC(=O)CC(=O)NCCNCc1noc(CC(C)C)n1 1125998674 STUDUBSLCJAZIW-UHFFFAOYSA-N 321.381 -0.387 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)Cc1ccncc1C 1127378965 FKCKXAQZQNBXIJ-CYBMUJFWSA-N 302.378 -0.224 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)CCc2ccon2)C1 1129114106 YWVNQZRQQZQSIZ-KGLIPLIRSA-N 314.349 -0.126 30 20 DBED C#CCN[C@@H]1CN(C(=O)C(C)(C)NC(C)=O)C[C@@H]1n1ccnn1 1130043915 GWBNIOISSOKEDM-OLZOCXBDSA-N 318.381 -0.833 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1ccccc1COC 1130771300 OESDDLIFFXTRDQ-UHFFFAOYSA-N 303.362 -0.098 30 20 DBED C[C@@H]1CC[C@@H](NC(=O)Cn2cccn2)CN1CC(=O)NCC#N 1131787808 MJGBVGKRFGSFBD-CHWSQXEVSA-N 318.381 -0.508 30 20 DBED C=CCCCNCCNC(=O)C1(n2cnnn2)CCOCC1 1135110409 CFIZRAYJBVDLIA-UHFFFAOYSA-N 308.386 -0.149 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)c1cnn(C)n1 1135671817 XTROKSNHNJZMRM-MNOVXSKESA-N 306.370 -0.949 30 20 DBED N#CCNC(=O)CN1CCC2(C1)CN(C(=O)CSCC#N)C2 1147025629 BEYGFBFNLCNJOQ-UHFFFAOYSA-N 321.406 -0.583 30 20 DBED C#CCNC(=O)CNCCNC(=O)Cc1ccc2c[nH]nc2c1 1149504829 BKZMSCCSUAEDAF-UHFFFAOYSA-N 313.361 -0.439 30 20 DBED CCN(CC#N)[C@H](C)CNC(=O)CCc1nnc(O)nc1O 1154143525 WTJLGOJEMALNCD-SECBINFHSA-N 308.342 -0.434 30 20 DBED C=CCOCC(=O)NCCCNCC(=O)N1CCO[C@@H](C)C1 1155712531 NQTGSHRPMWZQGP-ZDUSSCGKSA-N 313.398 -0.468 30 20 DBED N#CCNC(=O)CNCCCNC(=O)c1cnc2ccccn12 1161466607 FMRUCXIVBCWYCI-UHFFFAOYSA-N 314.349 -0.316 30 20 DBED N#CCNC(=O)CNCCCNC(=O)c1n[nH]c2c1CCC2 1161681483 AVHWJCGXFSEDCE-UHFFFAOYSA-N 304.354 -0.752 30 20 DBED Cn1cc(C(=O)NCCC2=CCN(CC#N)CC2)n(C)c1=O 1161963693 PWJQRDGNBJPQLU-UHFFFAOYSA-N 303.366 -0.001 30 20 DBED COCC1(CNC(=O)C(=O)NCC2CC2)CCN(CC#N)CC1 1162553244 JLHXKCATWPZHDR-UHFFFAOYSA-N 322.409 -0.119 30 20 DBED C#CCNCC1(CCNC(=O)CCn2ncn(C)c2=O)CC1 1166372777 YMFBBJQOBLJTOZ-UHFFFAOYSA-N 305.382 -0.519 30 20 DBED C[C@H](CCCCNCC#N)NC(=O)CCn1cc[nH]c(=O)c1=O 1175719114 DXWVSRMBRGCCSZ-GFCCVEGCSA-N 321.381 -0.285 30 20 DBED C=CCCN1CCO[C@@H]2CCN(C(=O)CNC(=O)NC)C[C@H]21 1177024523 ILOPBULETABVHH-CHWSQXEVSA-N 310.398 -0.207 30 20 DBED COCC#CCNCCCCCCNC(=O)CS(C)(=O)=O 1177948862 CEQRMKGGUCYWJB-UHFFFAOYSA-N 318.439 -0.053 30 20 DBED C[C@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)c1cnccn1 1178041762 IZUKKAPDZXZYBW-QWRGUYRKSA-N 302.338 -0.691 30 20 DBED CCOCCNC(=O)CN[C@H]1CCN(C(=O)[C@@H](C)C#N)[C@H]1C 1178366330 AFGUVPIQWXKIJE-AVGNSLFASA-N 310.398 -0.122 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](NCc2nonc2C)[C@@H]1C 1178508424 CPPNJBWIZUGSSU-RYUDHWBXSA-N 319.365 -0.403 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)c2cnn(CC)n2)[C@H]1C 1178620951 BFTMIYRNPZZGGY-RYUDHWBXSA-N 320.397 -0.207 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](C)[C@](C)(CNCCOC)C1 1181173905 PXFUORPLUKDTNA-CZUORRHYSA-N 309.410 -0.154 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)c2c(C)ncnc2O)C1 1185082589 AYMIOBFWJJFLQG-LLVKDONJSA-N 319.365 -0.403 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2ccncn2)C1 1186465288 FKEDHRIWYSYAOH-VXGBXAGGSA-N 303.366 -0.029 30 20 DBED C[C@@H](CC(=O)N1CC[C@@H](NCC(=O)NCC#N)C1)n1cccn1 1186885493 FPWUHUSPHANUJT-QWHCGFSZSA-N 318.381 -0.336 30 20 DBED CCc1cc(C(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)no1 1187176234 KFDVVZJWQGDPDS-SNVBAGLBSA-N 305.338 -0.319 30 20 DBED C#CCN1C[C@@H]2CCN(C(=O)[C@@H](C)NS(=O)(=O)CC)[C@@H]2C1 1187991759 WSZBDUASVYRNQY-FRRDWIJNSA-N 313.423 -0.520 30 20 DBED C=CCCOCC(=O)N1CC[C@@H](NCc2nc(=O)n(C)[nH]2)C1 1188288056 XJNCTOHWOWNHIU-LLVKDONJSA-N 309.370 -0.608 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@@H]1CCN(C(=O)CCOCC#C)C1 1190111982 BQDPICMAQBFLNL-LSDHHAIUSA-N 319.405 -0.303 30 20 DBED C=CCOCCCC(=O)N[C@@H]1CN([C@H](C)C(=O)NC)C[C@H]1O 1192054020 HFVWDVXSFVCBMF-JHJVBQTASA-N 313.398 -0.735 30 20 DBED C=CCC[C@H](C)N1C[C@@H](O)[C@H](NC(=O)CN2CCOCC2)C1 1192263193 KGDAFPZGJZKRHN-RRFJBIMHSA-N 311.426 -0.165 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)Cc2cscn2)C1 1192696879 YUTJABMASFXNDY-ZDUSSCGKSA-N 320.418 -0.032 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2ocnc2C)C[C@H]1O 1192892456 YBYJATQVIVDBLN-CHWSQXEVSA-N 307.350 -0.316 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)CC2(C)CC2)C1 1194860590 SIUPJUJEEPNKRF-YNEHKIRRSA-N 307.394 -0.524 30 20 DBED C=C[C@@H](CC)CC(=O)N[C@@H]1CN(CCN2CCNC2=O)C[C@H]1O 1195568397 ZIEXQYJGEQICTO-BFHYXJOUSA-N 324.425 -0.225 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C2CC3(CC3)C2)C1 1196106746 WIPKVCAQODLQNT-CHWSQXEVSA-N 307.394 -0.360 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)COCCc2ccccc2)C1 1199439212 MIRRHDWFWUHXOE-HUUCEWRRSA-N 303.362 -0.069 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)Cc2cc[nH]n2)CC1 1199927944 AAIHIGWJNWPJJD-UHFFFAOYSA-N 303.366 -0.718 30 20 DBED N#CCNC(=O)CNC1CCN(C(=O)CC2(O)CCC2)CC1 1200425502 LIVMFPCRAGBSAH-UHFFFAOYSA-N 308.382 -0.488 30 20 DBED C#CCOCCC(=O)N1CCC(NCc2nc(O)n[nH]2)CC1 1200523166 JWFNGJOLFGXWRY-UHFFFAOYSA-N 307.354 -0.369 30 20 DBED C#CCNC[C@@H]1CN(C(=O)c2cn(C)nc2OC)CCCO1 1201121497 YTSHDCMFEYNULW-GFCCVEGCSA-N 306.366 -0.117 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)C[C@@H]2CCC(=O)N2)CCCO1 1201620157 CIFZGFNHGUUQDQ-UONOGXRCSA-N 307.394 -0.115 30 20 DBED CC(=O)N1CCC(C(=O)N2CCCO[C@@H](CNCC#N)C2)CC1 1202030711 WIJYEANKZIGOQB-HNNXBMFYSA-N 322.409 -0.024 30 20 DBED C#CCCNCC1CCN(C(=O)Cn2cnc(C(N)=O)n2)CC1 1205334298 JTFRDYZFYKLDBF-UHFFFAOYSA-N 318.381 -0.772 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)CN(C)C(C)C)CC1 1206953651 XRDOBUJSGZMJBK-UHFFFAOYSA-N 322.453 -0.096 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)CN(C)C1CCC1 1207567805 ABPUDRVTMAGTQT-TZMCWYRMSA-N 321.425 -0.453 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)C[C@@](C)(O)C=C)C1 1207949186 AKICBXGLZFWMIM-BBRMVZONSA-N 307.394 -0.357 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2nncn2C)C[C@H]1OC 1212255809 QRZWJJIDHIVSDX-JHJVBQTASA-N 321.381 -0.831 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)c2cn(C)cn2)C[C@H]1C 1214437239 GIPQZKAEKUANAD-VXGBXAGGSA-N 303.366 -0.780 30 20 DBED CC#CCN[C@@H]1CN(C(=O)CCS(=O)(=O)NC)C[C@H]1C 1214619653 ROMZEQRGEBSGSX-VXGBXAGGSA-N 301.412 -0.615 30 20 DBED C=C(C)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)C[C@H](C)NC(N)=O 1217887182 ODXRIARIAMYWBX-RWMBFGLXSA-N 310.398 -0.079 30 20 DBED CN(CC(=O)N1CCO[C@@H]2CN(CC#N)C[C@@H]21)C(=O)C1CC1 1218049510 SPNLUDUDEVDQLP-QWHCGFSZSA-N 306.366 -0.710 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN([C@@H](C)c2nnnn2C)C[C@@H]1O 1219587853 ZPYKKONWYCZGDB-TUAOUCFPSA-N 306.370 -0.908 30 20 DBED C=C[C@@](C)(CCOC)C(=O)N[C@@H]1CN(Cc2cnon2)C[C@@H]1O 1220079913 GCDYZGVVADSANE-IPYPFGDCSA-N 324.381 -0.040 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)C2(C)CCC2)C1 1220143213 YOFCDLLBJHMXMK-XQQFMLRXSA-N 307.394 -0.524 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@H](C)NC(=O)CC2CCCC2)C1 1220547705 CNAVFFGKGRQBNY-CFVMTHIKSA-N 321.421 -0.134 30 20 DBED C=CCCCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CN(CC)CCO2)C1 1221020121 HJSSSSAJGPIICA-ILXRZTDVSA-N 311.426 -0.165 30 20 DBED CNC(=O)NC(=O)CN1CC[C@@H]2CN(C(=O)C#CC(C)C)[C@@H]2C1 1221530005 VNEGPZGSZCIJOR-CHWSQXEVSA-N 320.393 -0.366 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)CNC(=O)CC)CC1 1222647720 XLJLRNOKEXTWHF-UHFFFAOYSA-N 322.409 -0.910 30 20 DBED CC#CCN1CCC(CNC(=O)CN2CC(=O)N(C)C2=O)CC1 1225143206 VFOCLRBUTQRRLG-UHFFFAOYSA-N 320.393 -0.268 30 20 DBED COCC#CCN1CCC(NC(=O)C2CS(=O)(=O)C2)CC1 1227504643 NUOJEXSDHVAYMZ-UHFFFAOYSA-N 314.407 -0.739 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCCC[C@H]1NC(=O)c1cnon1 1229239067 WESVOXDFFZGJHK-IJLUTSLNSA-N 319.365 -0.162 30 20 DBED N#CCN1CCS(=O)(=O)[C@H](CCNC(=O)c2ccc[nH]2)C1 1230416819 RWIMAOBSPLIJCD-LLVKDONJSA-N 310.379 -0.243 30 20 DBED C#CCN1CCS(=O)(=O)[C@H](CCNC(=O)Cc2cnc[nH]2)C1 1230502511 HGTZKGCDRTZBBD-CYBMUJFWSA-N 324.406 -0.809 30 20 DBED C[C@H](C#N)C(=O)N(C)C[C@@H]1CCN1CCN1C(=O)CNC1=O 1231292083 AVPPRKPMPBLSBF-MNOVXSKESA-N 307.354 -0.769 30 20 DBED CN(C[C@H]1CCN1CC(=O)NCC#N)C(=O)COC(C)(C)C 1233802574 XECXNGNPGCYFLL-GFCCVEGCSA-N 310.398 -0.026 30 20 DBED C=CCOCC(=O)NCCCN(C)CC(=O)NCCOCC 1235697659 CMYCSRHNXSRWKD-UHFFFAOYSA-N 315.414 -0.220 30 20 DBED CN1CCN(C(=O)C(=O)Nc2ccc(OCC#N)cc2)CC1=O 1252606759 PXOHSXYIDKJFPF-UHFFFAOYSA-N 316.317 -0.172 30 20 DBED C[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](C#N)C2)C[C@H](C2CC2)O1 1261323111 WJMUUNOFJNPTBH-KGYLQXTDSA-N 307.350 -0.237 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@H](NC(=O)Cn2cncc2C)C1 1265295154 QUQPTNIFXLHCDO-KBPBESRZSA-N 317.393 -0.480 30 20 DBED C#CCNC(=O)CN1CCC[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1 1316944659 UFWHORCHOOLGSW-HOCLYGCPSA-N 322.453 -0.097 30 20 DBED C#CCNC(=O)C1CCN(C(=O)CS(=O)(=O)CCC)CC1 1321793324 WCSZHBMQEDWAEB-UHFFFAOYSA-N 314.407 -0.201 30 20 DBED C#CCSCCNC(=O)C(=O)N[C@@H](C)c1nnc2n1CCC2 1321985790 ZEOYSOHHOMJQHC-JTQLQIEISA-N 321.406 -0.116 30 20 DBED C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)CN1C1CC1 1326423584 LDFRCXKXVXBWGF-WQGACYEGSA-N 320.393 -0.395 30 20 DBED C[C@@H]1C[C@H](NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)CO1 1326749941 OSAQRNYVUYKCQU-FLNMKHRVSA-N 308.338 -0.011 30 20 DBED COCCNC(=O)CNC(=O)c1cc(C#N)c(SC)nc1O 1327750692 CLDRUVWGXFUYFU-UHFFFAOYSA-N 324.362 -0.127 30 20 DBED C=CCOCCNC(=O)C(=O)N1C[C@H](C)O[C@@]2(CCOC2)C1 1330190589 YBMYIXSWSLDGLK-WFASDCNBSA-N 312.366 -0.288 30 20 DBED C=C[C@H](COC)NS(=O)(=O)CCCN1CCN(C)CC1 1330370549 HGMRKTFUHSWWQJ-CYBMUJFWSA-N 305.444 -0.256 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CC[C@@H]2NC(=O)CC[C@H]2C1 1334157802 UXICKEGKNCPTPH-TUAOUCFPSA-N 309.366 -0.569 30 20 DBED O=C1NC[C@H]2CN(c3nnnn3CC#Cc3ccccc3)CCN12 1334339288 ADRPJNMEEJZNQV-AWEZNQCLSA-N 323.360 -0.061 30 20 DBED C=CCN(CCOC)c1nnc(Cn2cnc(C#N)n2)n1C 1337896925 DQTIVCPYERTUJZ-UHFFFAOYSA-N 302.342 -0.035 30 20 DBED CN1C(=O)[C@@H]2CN(c3nnc(C(C)(C)C#N)n3C)C[C@@H]2C1=O 1341254102 IPSUDVCIYABUOK-DTORHVGOSA-N 302.338 -0.333 30 20 DBED C[S@](=O)C1(CNC(=O)C(=O)N2CC[C@](F)(C#N)C2)CC1 1343470870 NENUTXOHYCFOOU-YBTHPKLGSA-N 301.343 -0.522 30 20 DBED C#CCOCCNC(=O)C(=O)N1CC[C@H](C2CCN(C)CC2)C1 1346543240 KGBACWVYAQNUBX-HNNXBMFYSA-N 321.421 -0.057 30 20 DBED CC(C)C(=O)NCCCNC(=O)C(=O)N1CC[C@](F)(C#N)C1 1347152679 IICDLERSHKAGBR-AWEZNQCLSA-N 312.345 -0.271 30 20 DBED CN(C)S(=O)(=O)NCCNC(=O)N1CCC(C#N)CC1 1350516670 RGDMTUREDDNUPQ-UHFFFAOYSA-N 303.388 -0.672 30 20 DBED C#CCSCCNC(=O)C(=O)N[C@H]1CCCN(CC)C1=O 1351312171 JVRWGIHGWIGKTM-NSHDSACASA-N 311.407 -0.404 30 20 DBED CC(C)[C@](C)(O)CNC(=O)CCn1cc(C#N)c(O)nc1=O 1362186261 ZHURGSGWCRFOST-CQSZACIVSA-N 308.338 -0.266 30 20 DBED CC(C)N1CCC[C@@H](NC(=O)Cn2cc(C#N)c(O)nc2=O)C1 1362623885 CYLJDWKGNOCBCT-GFCCVEGCSA-N 319.365 -0.190 30 20 DBED CCN1CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)[C@@H](C)C1 1362668031 YIAJUIWGCVGFQZ-JTQLQIEISA-N 305.338 -0.627 30 20 DBED CCN(CCNC(=O)[C@H](C)C#N)C(=O)CS(=O)(=O)CC 1373938881 XKBCZQRYSRPEEC-SNVBAGLBSA-N 303.384 -0.455 30 20 DBED Cc1c(CCC(=O)NC[C@@H](O)CNC(=O)[C@H](C)C#N)cnn1C 1392117709 PJZVVNOBXZSRPP-ZWNOBZJWSA-N 321.381 -0.586 30 20 DBED CCc1cc(C(=O)NC[C@@H](O)CNC(=O)[C@@H](C)C#N)nn1C 1392127833 GZXBTXOPXYUCLD-ONGXEEELSA-N 307.354 -0.651 30 20 DBED COCC(=O)NCCC(=O)N(C)C[C@H](C)NC(=O)[C@@H](C)C#N 1395591849 CBKMCCHYQJRJNT-QWRGUYRKSA-N 312.370 -0.738 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(CCNC(=O)CCCN(C)C)CC1 1396887599 BKJKEIIXXURFNQ-AWEZNQCLSA-N 323.441 -0.252 30 20 DBED C[C@H](C#N)C(=O)NCCN(C)[C@H]1CCN(c2cnn(C)c2)C1=O 1403505693 IGNXDKNGIUOMSB-YPMHNXCESA-N 318.381 -0.267 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 1407113859 VVSGFWJZQAYGSE-LLVKDONJSA-N 303.322 -0.647 30 20 DBED CCc1ncc(NC(=O)Cn2cc(C#N)c(O)nc2=O)cn1 1411929335 QAGHLXCMXKFVFU-UHFFFAOYSA-N 300.278 -0.188 30 20 DBED N#Cc1cn(CCNC(=O)c2cc(Cl)no2)c(=O)nc1O 1412376381 XJODAEBLNQITRG-UHFFFAOYSA-N 309.669 -0.108 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C)C(=O)C1(S(C)(=O)=O)CCC1 1415598874 OUPTZKPUXMYRPO-JTQLQIEISA-N 315.395 -0.312 30 20 DBED CCN(CCNC(=O)[C@@H](C)C#N)C(=O)CNC(=O)N1CCCC1 1415722092 VCVXLCSXZPFALF-LBPRGKRZSA-N 323.397 -0.084 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1cnoc1C1CC1 1416781419 IEHXXJNHTIGRCR-PSASIEDQSA-N 306.322 -0.081 30 20 DBED N#CCCN(CCC#N)C(=O)CN1CCN(c2nc[nH]n2)CC1 1422002210 AKHHDSRKWPKPTJ-UHFFFAOYSA-N 316.369 -0.417 30 20 DBED CC(C)n1cc(C(=O)NC[C@H](O)CNC(=O)[C@@H](C)C#N)cn1 1431562107 GVYQSOUEWUDMAK-CMPLNLGQSA-N 307.354 -0.169 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@](C)(CNC(=O)Cn2ncnn2)C1 1432744584 GRBGPWYQQPPOAO-FZMZJTMJSA-N 319.369 -0.422 30 20 DBED N#Cc1ccc(CS(=O)(=O)CC(=O)Nn2ccnn2)cc1 1434016731 VIKKCOBDDPWQDR-UHFFFAOYSA-N 305.319 -0.165 30 20 DBED C[C@H]1CCC(=O)CN1C(=O)CCn1cc(C#N)c(O)nc1=O 1434403829 QIYXGNJEXZURDL-VIFPVBQESA-N 304.306 -0.209 30 20 DBED COC[C@@H](NC(=O)NCCn1cc(C#N)c(O)nc1=O)C(C)C 1434775289 OEICWPWCCRPCDA-LLVKDONJSA-N 323.353 -0.209 30 20 DBED CCNC(=O)NC(=O)[C@@H](C)N[C@H]1C[C@H](NC(=O)[C@@H](C)C#N)C1 1436892269 ZADGPLQTGYTEDH-VLEAKVRGSA-N 309.370 -0.383 30 20 DBED CC(=O)N(C)CC(=O)Nc1[nH]nc(N2CCOCC2)c1C#N 1454634328 ZICPFCCTASVDNM-UHFFFAOYSA-N 306.326 -0.465 30 20 DBED Cc1nc(O)nc(O)c1CC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1454761382 NDSLVAFZMOUKQG-NSHDSACASA-N 317.349 -0.063 30 20 DBED CC(=O)N1CCC[C@@H](C(=O)N(C)CCNC(=O)[C@H](C)C#N)C1 1455434503 OEAMUDIVFPIRNX-DGCLKSJQSA-N 308.382 -0.021 30 20 DBED C[C@H](C#N)C(=O)N(C)C1CCN(C(=O)[C@@H]2CCC(=O)N2)CC1 1487565957 FPJRQWHOZCKHPM-PWSUYJOCSA-N 306.366 -0.126 30 20 DBED COCCN(CCNC(=O)c1ncn(C)n1)C(=O)[C@@H](C)C#N 1488535971 XZONJQFEFFSAJT-JTQLQIEISA-N 308.342 -0.820 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)CNC(=O)O)C1 1573310790 CRZKMMLUZHWXAA-VXGBXAGGSA-N 324.381 -0.922 30 20 DBED C[C@@H](C(=O)NCc1ccnc(C#N)c1)n1cnc(-c2nn[nH]n2)n1 1573728396 DWROBWLFXQSZRL-QMMMGPOBSA-N 324.308 -0.398 30 20 DBED C[C@@H]1CCN(c2cnc(C#N)c(-c3nn[nH]n3)n2)CC[S@]1=O 1576214297 OSHBNOWRNPCQPJ-CWMRNNLJSA-N 318.366 -0.124 30 20 DBED N#Cc1nc(N[C@H]2CCCN(C(N)=O)C2)cnc1-c1nn[nH]n1 1581880866 XNGQGIJGWLAIOH-ZETCQYMHSA-N 314.313 -0.517 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(CC2(CC(=O)O)CC2)c1=O 1588891993 ZGXGCEUTZMGGIZ-UHFFFAOYSA-N 321.333 -0.201 30 20 DBED CC(C)(CCNC(=O)Cn1cc(C#N)c(O)nc1=O)C(=O)O 1590675825 DFXCGYJXZBANMJ-UHFFFAOYSA-N 308.294 -0.562 30 20 DBED N#Cc1ccc(S(=O)(=O)N[C@H]2C[C@H](C(N)=O)C2)c(C(=O)O)c1 1601113270 RYJSRSBUOHRDLP-KYZUINATSA-N 323.330 -0.201 30 20 DBED C#C[C@H](NC(=O)N1C[C@@H](C(=O)O)C[C@@H](O)C1)C1CCOCC1 1602674859 WUZNWKUQEXWARS-XQQFMLRXSA-N 310.350 -0.108 30 20 DBED N#Cc1ccc(CC(=O)OCCc2cn(CC(=O)O)nn2)cn1 1605602100 QDWCZYFZVLPOGQ-UHFFFAOYSA-N 315.289 -0.042 30 20 DBED N#CCn1cc(NC(=O)C(=O)NC[C@H](CC2CC2)C(=O)O)cn1 1608190047 CHQFCDIQALHGBQ-JTQLQIEISA-N 319.321 -0.038 30 20 DBED C[C@@H]1[C@@H](C(=O)O)CCN1C(=O)C(=O)Nc1cnn(CC#N)c1 1609838146 XRVWOBXAEPJCHL-SCZZXKLOSA-N 305.294 -0.333 30 20 DBED Cc1nc(=NC(=O)COCC(=O)O)n(-c2ccc(C#N)cc2)[nH]1 1610558058 URQXZFYIPJCXSR-UHFFFAOYSA-N 315.289 -0.091 30 20 DBED Cn1c(=O)[nH]c(N2CCN(C[C@@H]3CCOC3)CC2)c(C#N)c1=O 1646631323 FPNMEEOXGJVYFO-NSHDSACASA-N 319.365 -0.896 30 20 DBED COC[C@H](O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C 1646665778 XKRZNIOKNBUOIC-RYUDHWBXSA-N 306.370 -0.329 30 20 DBED CN(C[C@@H](O)CN1CCOCC1)C(=O)c1cnccc1C#N 1649812643 IKYYSOVEPAZBNN-CYBMUJFWSA-N 304.350 -0.282 30 20 DBED N#C[C@H]1CNC[C@@H]1NC(=O)c1cccc(CS(N)(=O)=O)c1 1649851787 SCTLDVBKSWCUCS-RYUDHWBXSA-N 308.363 -0.684 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)CNC(=O)C2CC2)C1 1714993423 OCZLQKDOMLZPQP-LBPRGKRZSA-N 308.382 -0.995 30 20 DBED C#CCN1CCN(CCNC(=O)[C@@H]2CCc3nncn3C2)CC1 1752375235 LUZSGNHLMCIMBY-CQSZACIVSA-N 316.409 -0.793 30 20 DBED N#CCNC(=O)CN1CCN(CCNC(=O)[C@H]2CC23CC3)CC1 1752375241 URYYKVWCBGPWKN-CYBMUJFWSA-N 319.409 -0.840 30 20 DBED N#CCNC(=O)CN[C@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1752648059 WGGVWGWBMVGFCM-VVHWCZALSA-N 318.377 -0.714 30 20 DBED O=C1NC[C@H](C(=O)N[C@H]2C[C@H](NCC#Cc3ccccc3)C2)N1 1752661938 TWJGFKNSDLVEKI-RBSFLKMASA-N 312.373 -0.044 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H](C)CNC(=O)c1cc(C)nnc1C 1752875577 WAEAHOXFKCRNKN-AAEUAGOBSA-N 317.393 -0.061 30 20 DBED C=C(C)CNC[C@H]1CCN(C(=O)Cn2nc(C)n(C)c2=O)C1 1752957667 DHRCDAKTONJRJD-CYBMUJFWSA-N 307.398 -0.096 30 20 DBED CN(CCNC(=O)[C@@H]1CCC[C@@H](N(C)C)C1)CC(=O)NCC#N 1753070580 GESREEPMXMGBGK-ZIAGYGMSSA-N 323.441 -0.205 30 20 DBED CC[C@H](CNC(=O)C[C@H]1CCCOC1)NCC(=O)NCC#N 1753494752 MCWYWFQELZDNDT-CHWSQXEVSA-N 310.398 -0.073 30 20 DBED C#CCNC(=O)CNCC1(NC(=O)Cc2ccon2)CCCC1 1753501264 XLHSKNSOJXCGMR-UHFFFAOYSA-N 318.377 -0.015 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC(N(C)C(=O)c2cnccn2)C1 1754570231 VOSDGDQZVDAHRH-LLVKDONJSA-N 303.366 -0.077 30 20 DBED C#CCNC(=O)CN1CCC(C)(NC(=O)c2ncn(C)n2)CC1 1754626012 NOVZSUZTDADUDE-UHFFFAOYSA-N 318.381 -0.851 30 20 DBED C#CCCNC[C@H]1CN(C(=O)CN2CCN(C)C(=O)C2)C[C@H]1C 1754818969 LVEWYVSKNDPHBM-CABCVRRESA-N 320.437 -0.532 30 20 DBED C#CCNC(=O)[C@H](C)N(C)CCCN(C)C(=O)[C@H]1CCNC1=O 1755041915 ZOSSKLBOJDZJGI-STQMWFEESA-N 322.409 -0.959 30 20 DBED C=CCNC(=O)CN(C)[C@H](C)CNC(=O)[C@@H]1CCNC(=O)C1 1755298457 RNXJDTDDQGYEHC-VXGBXAGGSA-N 310.398 -0.749 30 20 DBED CC#CCN(C)[C@@H](C)CNC(=O)C[C@]1(C)CCS(=O)(=O)N1 1755324564 NQDQAOHEZCMXKQ-JSGCOSHPSA-N 315.439 -0.082 30 20 DBED C#CCN1CC(CCO)(NC(=O)[C@@H]2CCc3cnn(C)c3C2)C1 1755334869 MUHXJCRTODRLRF-CYBMUJFWSA-N 316.405 -0.289 30 20 DBED C=CCNC(=O)CN1CC([C@@H](C)NC(=O)C(=O)NCC2CC2)C1 1755389599 ZSZXUYVQYMXAKR-LLVKDONJSA-N 322.409 -0.749 30 20 DBED C=CCOCC(=O)N[C@@H](C)C1CN(C(=O)[C@]2(C)CCC(=O)N2)C1 1756130710 TWXBEHVVQFYRQV-ZBEGNZNMSA-N 323.393 -0.179 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@H](CO)NC(=O)c1ccn(C)c1C 1756515220 HYCUALDXLPDDIZ-MLGOLLRUSA-N 323.393 -0.132 30 20 DBED CC#CCCCC(=O)N(C)C[C@@H](O)CNC(=O)c1cn(C)nn1 1756674803 SIZUVTMODDIOKV-LBPRGKRZSA-N 321.381 -0.442 30 20 DBED CNC(=O)CNC(=O)C1CCN(c2oc(C)nc2C#N)CC1 1771666817 HFZGBZSMEFAJQG-UHFFFAOYSA-N 305.338 -0.067 30 20 DBED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](N)[C@H](C)CC)C[C@@H]21 1790790498 DWMBBSFWEXSUFF-BLDNINTCSA-N 321.421 -0.027 30 20 DBED C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCN1CCOCC1)C2 1801597527 DDSURNBMPOEJOL-QDMKHBRRSA-N 319.405 -0.020 30 20 DBED O=C(O)C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H]1CCCO1)C2 1801988775 LXXJJMKXGNAAFB-YVECIDJPSA-N 320.345 -0.108 30 20 DBED CS(=O)(=O)c1cccc(S(=O)(=O)O[C@H]2CNOC2)c1 253428759 KYUVEKQGGRBLMH-QMMMGPOBSA-N 307.349 -0.301 30 20 DBED C[C@@H](CC#N)NS(=O)(=O)c1cnc2c(c1)c(=O)nc(O)n2C 264057654 JUVWSPXGICLXJH-ZETCQYMHSA-N 323.334 -0.385 30 20 DBED N#C[C@@H]1CN(C(=O)CNS(=O)(=O)c2cccs2)CCO1 264485689 MNIXZDSSRNBCMU-SECBINFHSA-N 315.376 -0.223 30 20 DBED C=CCN1CC[C@H](N(C)S(=O)(=O)N2CCOCC2)C1=O 281700952 ZPFNYBYJRUVGNI-NSHDSACASA-N 303.384 -0.718 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC[C@@H]2CCCCO2)C1=O 285481179 MGZRXIUNPBPIAE-QWHCGFSZSA-N 323.393 -0.083 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCCn2cccc2)C1=O 288020054 QAGGLWILHNJUMG-CYBMUJFWSA-N 318.377 -0.150 30 20 DBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1C[C@@H](O)C1 298326057 KDQNODYTGDNAME-JLLWLGSASA-N 323.374 -0.135 30 20 DBED Cn1c(NCCCC(=O)NC2CC2)c(C#N)c(=O)n(C)c1=O 298727291 QXZHMJOOKNVQRP-UHFFFAOYSA-N 305.338 -0.574 30 20 DBED COC[C@H](C)/N=C(/O)NC(=O)CN1CCC[C@H]2C(=O)NC[C@H]21 330419646 XDTHBBUAVITHFN-HBNTYKKESA-N 312.370 -0.738 30 20 DBED COCC(=O)N1CCN(/C(O)=N/[C@H](C)CS(C)(=O)=O)CC1 330757236 HXCUTKSWBDRXAB-SNVBAGLBSA-N 321.399 -0.876 30 20 DBED Cc1nc([C@@H]2CN(/C(O)=N/CCC(=O)N(C)C)CCO2)n[nH]1 331187150 PHYPWHYNZQHEQR-JTQLQIEISA-N 310.358 -0.121 30 20 DBED CS(=O)(=O)N1CCN(CC(=O)N(CC#N)C2CC2)CC1 332180132 OMSZEXXSSDSSSC-UHFFFAOYSA-N 300.384 -0.922 30 20 DBED COCCN(CCC#N)S(=O)(=O)N(CCO)CC1CC1 337090743 KDKJDWWEEDJXCY-UHFFFAOYSA-N 305.400 -0.202 30 20 DBED C[C@@H](C(=O)NC1(C#N)CCC1)N1CCN(C(=O)[C@@H](C)O)CC1 346548296 ARISXNWOOPXGHG-NWDGAFQWSA-N 308.382 -0.538 30 20 DBED C=CCNC(=O)CNC(=O)Cc1nc2nc(C)cc(C)n2n1 347889311 NAZYBFVQBMRFIX-UHFFFAOYSA-N 302.338 -0.298 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCO[C@H](C)C2)C1=O 354235952 MPUUAXNVFWKGAE-UPJWGTAASA-N 323.393 -0.085 30 20 DBED N#Cc1ccc(OC2CN(C(=O)C(=O)N3CC[C@H](N)C3)C2)cc1 423567759 RACVRGALJAEGLG-LBPRGKRZSA-N 314.345 -0.293 30 20 DBED C=CCn1cc(CNC(=O)CNS(=O)(=O)CCCC)nn1 424907288 IVQZRTIJPMMBPB-UHFFFAOYSA-N 315.399 -0.200 30 20 DBED C=CC[C@H](CO)CNC(=O)C(=O)Nc1ccn([C@@H](C)COC)n1 426957706 UVTPUBGNTAVMNJ-RYUDHWBXSA-N 324.381 0.330 30 20 DBED CN(C)C(=O)c1ccc(=NCCCc2[nH]nc(N)c2C#N)[nH]n1 439831513 CLFCFBBBWURDHN-UHFFFAOYSA-N 314.353 -0.178 30 20 DBED C=C[C@@H]1OCC[C@H]1N[C@@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O 451608214 RLPYXYJRNXGDHU-AEJSXWLSSA-N 322.365 -0.830 30 20 DBED CS(=O)(=O)N1CC[C@H](CNC(=O)c2ccc(C#N)cn2)C1 533576253 SEJMOQPLGULGKT-LLVKDONJSA-N 308.363 -0.035 30 20 DBED COC(=O)[C@H](CO)NS(=O)(=O)c1ccc(C#N)cc1F 544665591 ZGBJKIRRJQPPLD-VIFPVBQESA-N 302.283 -0.490 30 20 DBED CCS(=O)(=O)N[C@@H](CCSC)C(=O)NCC#CCO 568293388 OAVQILVKZULOOF-JTQLQIEISA-N 308.425 -0.841 30 20 DBED CCN1CCN(C(=O)C(=O)NC2CCN(CC#N)CC2)CC1 588122882 IWJWGMYMPRBFGM-UHFFFAOYSA-N 307.398 -0.745 30 20 DBED COC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1cccc(C#N)n1 589832518 PPHXPQKHWXNKOR-LLVKDONJSA-N 302.290 -0.543 30 20 DBED C[C@@H]1[C@H](CO)CCCN1S(=O)(=O)N1CCO[C@@H](C#N)C1 594783546 QSCDKMDXOAIJCK-WOPDTQHZSA-N 303.384 -0.452 30 20 DBED CC(C)[C@H]1CN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CCN1 595411946 JLUCWBPNJVOVSL-NWDGAFQWSA-N 302.400 -0.615 30 20 DBED C=C[C@@H](C(=O)OC)N1CCN(S(=O)(=O)CCCOC)CC1 619719131 XEIFDYXLMOUHSJ-LBPRGKRZSA-N 320.411 -0.302 30 20 DBED CC(=O)N[C@H]1CCN(CC#CCN2CC[C@H](NC(C)=O)C2)C1 625480310 WJHHXVPUEKGLOZ-HOTGVXAUSA-N 306.410 -0.589 30 20 DBED CC#CC[C@H](CO)NC(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1 627976955 DAVLISLCINGNDZ-NWDGAFQWSA-N 304.350 -0.337 30 20 DBED CC[C@H](C(=O)NCC#CCNC(=O)[C@@H](CC)N(C)C)N(C)C 681340333 GKBVULDYJJYEIN-ZIAGYGMSSA-N 310.442 -0.097 30 20 DBED Cc1ccc(F)c2c1C(=NNC(=S)NCC(N)=O)C(=O)N2 732711916 LSLYTFRLJYGGLF-UHFFFAOYSA-N 309.326 -0.260 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)Cc1c(C)[nH]c2ccnn2c1=O 733544219 IVUFFYRIEMENNY-JTQLQIEISA-N 316.317 -0.445 30 20 DBED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2n[nH]c(O)n2)[C@H](C#N)C1 758773893 SVRQCCSSMGIHON-HTQZYQBOSA-N 322.325 -0.001 30 20 DBED C#CCCCNC(=O)C(=O)NCCCN(CC)S(C)(=O)=O 793767867 WAHUMFFDIDKORW-UHFFFAOYSA-N 317.411 -0.696 30 20 DBED Cn1nncc1CNC(=O)NCCNc1ncccc1C#N 806535231 OMSMPXDDEUZUBN-UHFFFAOYSA-N 300.326 -0.007 30 20 DBED COCCCOCC(=O)NS(=O)(=O)c1cncc(C#N)c1 813985027 KKLCYAJEXNTDFZ-UHFFFAOYSA-N 313.335 -0.189 30 20 DBED C=CCS(=O)(=O)NC(=O)c1ccc2c(c1)NC(=O)CNC2=O 815997346 JMDMJWVLVUHEGW-UHFFFAOYSA-N 323.330 -0.386 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)[C@H]1CCN(S(C)(=O)=O)C1 816815438 VILNDMDBCCOXEY-STQMWFEESA-N 313.423 -0.424 30 20 DBED O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1CC[C@H](C(=O)O)C1 819691774 XTCDDHUUNCPTIA-QZOQKNACSA-N 322.321 -0.371 30 20 DBED N#Cc1nccn1Cc1cc(O)n2ncc(-c3nn[nH]n3)c2n1 826388260 PFEVZPBWHIKWMP-UHFFFAOYSA-N 308.265 -0.269 30 20 DBED CC(C)C#CC(=O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 834397667 SLUZHRXJNXXKNZ-UHFFFAOYSA-N 310.379 -0.098 30 20 DBED C#CCNS(=O)(=O)N1CCN(Cc2csnn2)CC1 851873828 PSRNXEIYENKRIA-UHFFFAOYSA-N 301.397 -0.877 30 20 DBED C#C[C@](C)(CC)NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 854695648 GKZGLMJESBHQJV-OAHLLOKOSA-N 317.349 -0.648 30 20 DBED CCOC(=O)CON=C(C(=O)NC[C@@H](C)OC)c1cc[nH]n1 855612488 UXMOAMSZXGPFKR-SECBINFHSA-N 312.326 -0.155 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)NCCN1CCCC1=O 875440806 MFUMOORZPCMZTQ-GFCCVEGCSA-N 309.366 -0.730 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N(CCO)CC(F)F 875598552 ZVBJMPXRADQQSK-JTQLQIEISA-N 306.309 -0.383 30 20 DBED CS(C)(=O)=NC(=O)CN(CCC#N)CCN1CCOCC1 878159521 NAZCMDDKOGYOED-UHFFFAOYSA-N 316.427 -0.212 30 20 DBED C#CC[C@@H](CO)NS(=O)(=O)C1CCN(C(=O)OCC)CC1 882343400 UJBKCOKLXPMNGT-NSHDSACASA-N 318.395 -0.089 30 20 DBED CNCCNC(=O)C(=O)N1CCN(c2ccc(C#N)cc2)CC1 884686305 DVDIFRMHGCHYDU-UHFFFAOYSA-N 315.377 -0.458 30 20 DBED C#CCN(CC(=O)NCCN(C)CCO)C(=O)OC(C)(C)C 899741187 NDIDUDXWTAAHJX-UHFFFAOYSA-N 313.398 -0.103 30 20 DBED C#CC1(O)CN(S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)C1 908232583 SYAFAUMBFDKZLH-UHFFFAOYSA-N 321.358 -0.754 30 20 DBED O=C(NC[C@@H]1CN(C(=O)C#CC2CC2)CCO1)c1ccnnc1 944803270 PBHHCPYOWPMSSP-CQSZACIVSA-N 314.345 -0.153 30 20 DBED CO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1NC(=O)c1csc(O)n1 945552286 DVFDKNBMNIFPOC-QXFUBDJGSA-N 324.362 -0.036 30 20 DBED CC[C@@H]1CN(C(=O)C(N)=O)CC[C@H]1NC(=O)c1c[nH]c(C#N)c1 948524338 FGSJCFWECQAGLE-BXKDBHETSA-N 317.349 -0.271 30 20 DBED N#CCN1CCOC2(CCN(C(=O)[C@@H]3CCNC3=O)CC2)C1 949430553 XQNXXDMARIQKRI-GFCCVEGCSA-N 306.366 -0.661 30 20 DBED C=CCn1cc(C(=O)N(CC)C2CN([C@H]3CCNC3=O)C2)nn1 952422291 ADTMTTCCJBQUSF-ZDUSSCGKSA-N 318.381 -0.501 30 20 DBED CN(C(=O)c1cc(=O)n(C)o1)C1CN(C(=O)C#CC2CC2)C1 954157471 OBTMBSFVKPBEST-UHFFFAOYSA-N 303.318 -0.326 30 20 DBED CCn1nncc1C(=O)N(C)C1CN(C(=O)C#CC2CC2)C1 954214475 VNOFHYIYKAKTIN-UHFFFAOYSA-N 301.350 -0.006 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@@H](CNC(=O)c2ccc(O)nn2)C1 957845658 BKPBBCMLIWUGKB-GXSJLCMTSA-N 312.757 -0.043 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2cn(C(C)(C)C)nn2)C1 958125858 CPZWUNFINATKOX-DGCLKSJQSA-N 305.382 -0.311 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2ccn(C)n2)C1 958850935 WFAFIKRKIUYEJK-USWWRNFRSA-N 305.338 -0.777 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2CN(C(=O)COC)C[C@H]2C)nn1 959324418 LLLHGOJCVWYFPV-NEPJUHHUSA-N 321.381 -0.065 30 20 DBED C#CCN1C[C@H]2C(NC(=O)c3cccc(OCC(N)=O)c3)[C@@H]2C1 960183300 POYJKNUALCZLRT-ZIAGYGMSSA-N 313.357 -0.156 30 20 DBED Cc1n[nH]cc1C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H](C)C#N 960878656 OCLBAECBTSXTDE-TVYUQYBPSA-N 317.349 -0.070 30 20 DBED C#Cc1ccc(C(=O)NC2[C@@H]3CN([C@@H]4CCNC4=O)C[C@@H]23)nc1 962340627 IDTBKRCVICCFLB-YRGRVCCFSA-N 310.357 -0.389 30 20 DBED CO[C@H](C)C(=O)N1CCOC[C@H]1CNC(=O)c1c[nH]c(C#N)c1 964148067 WGFRWBNFLTVPRS-ZWNOBZJWSA-N 320.349 -0.122 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2CN(C(=O)C(N)=O)C[C@H]2C)cn1 966748547 DJWUCUHXWINFSE-SKDRFNHKSA-N 300.318 -0.875 30 20 DBED CSCC(=O)N1CCN(C2CN(C(=O)[C@H](C)C#N)C2)CC1 967178349 RVWHIDXITOSELF-LLVKDONJSA-N 310.423 -0.136 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CCNC(=O)C1 968821526 XCOOHLBBJFRJFM-ZDEQEGDKSA-N 318.377 -0.126 30 20 DBED C[C@@H](NC(=O)c1cc(C#N)c[nH]1)C1CN(Cc2nnn(C)n2)C1 969462362 FUJHBBUKQJDESI-SECBINFHSA-N 314.353 -0.340 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)[C@@H]3CCC(=O)NC3)C2)C1 972442881 BAJQSWAEWKHPCK-CZUORRHYSA-N 305.378 -0.551 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(CC(N)=O)CC1(C)C 974685003 ISUAHUUVIIHDFU-QWHCGFSZSA-N 306.410 -0.604 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1[C@@H]2CN(C(=O)CC(N)=O)C[C@@H]21 977211240 PFVRQWFUEBLNDY-WCCFOQQASA-N 307.350 -0.974 30 20 DBED C=CCCN1C[C@H](NC(=O)CN2C(=O)CNC2=O)C(C)(C)C1 977575378 LXRDGSFQFBGJTN-NSHDSACASA-N 308.382 -0.059 30 20 DBED CN(C)C(=O)Cn1cc(C(=O)N2CC[C@H](N(C)CC#N)C2)nn1 980483555 QXGUKICCGFCWFX-NSHDSACASA-N 319.369 -0.964 30 20 DBED Cn1nccc1CC(=O)N1CC(NC(=O)c2c[nH]c(C#N)c2)C1 990930444 GXOXAJCXIYEBCJ-UHFFFAOYSA-N 312.333 -0.197 30 20 DBED C=CCn1cc(C(=O)NC2CN(C(=O)Cc3cnc[nH]3)C2)nn1 991674960 BUOZLBRZNAQMTC-UHFFFAOYSA-N 315.337 -0.630 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CN(C(=O)c3cnn[nH]3)C[C@@]2(C)C1 993344866 FUSCZBXQVJKVPL-PKFCDNJMSA-N 302.338 -0.115 30 20 DBED C=C[C@@](C)(CC)C(=O)N1CC(NC(=O)CN2CCOCC2=O)C1 994213342 FIFLHTVDENUTDB-INIZCTEOSA-N 323.393 -0.226 30 20 DBED CN1CC[C@@H](C(=O)N2C[C@H](NCC#N)C(C)(C)C2)S1(=O)=O 996401130 JUYPJGFTOPTWED-QWRGUYRKSA-N 314.411 -0.630 30 20 DBED CCn1cc(C(=O)NC2CN(C(=O)c3ccc(C#N)[nH]3)C2)nn1 998783453 GNDYOYYCZZLPOK-UHFFFAOYSA-N 313.321 -0.248 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)c2cc(=O)n(C)o2)C1 1000003822 DDTSVQFESIAWMS-MNOVXSKESA-N 321.333 -0.490 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)[C@]2(C)CCNC2=O)C1 1000033576 OFKPJKYMNXEXIM-BFQNTYOBSA-N 321.377 -0.569 30 20 DBED C#CCN[C@@H]1CCCN(C(=O)Cc2c(C)nc(O)nc2O)C1 1000524415 AHCCUQGZAKPFNN-LLVKDONJSA-N 304.350 -0.047 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2CN(C(=O)C(N)=O)CC[C@@H]2C)c1 1005257750 IGPCFPMHYBKZPY-GXFFZTMASA-N 314.345 -0.485 30 20 DBED C=C[C@@](C)(CC)C(=O)N1CCN(C(=O)[C@H]2CNC(=O)N2)CC1 1012291418 YNDVYSNDOLSILG-ABAIWWIYSA-N 308.382 -0.059 30 20 DBED N#CCN1CC[C@H](NC(=O)Cn2nc3ccccn3c2=O)C1 1015450833 BMZUMUGANGWNTC-NSHDSACASA-N 300.322 -0.790 30 20 DBED C[C@@H]1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)CN1C(=O)C(N)=O 1018093108 QHAANVTUYQKHCK-SCZZXKLOSA-N 303.322 -0.519 30 20 DBED CN1CC[C@H](C(=O)NC[C@@H]2CCCN(CC#N)C2)S1(=O)=O 1023644416 LODWYIIBFUXHLE-NWDGAFQWSA-N 314.411 -0.628 30 20 DBED CC(C)c1n[nH]cc1C(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1O 1024537102 CBWJFNFKYPUEAD-MVWJERBFSA-N 319.365 -0.006 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)OC)C[C@H]2O)cn1 1024926492 CVGXBEDKJIRSFL-LERXQTSPSA-N 317.345 -0.601 30 20 DBED CC#CCN1CC[C@H](CNC(=O)c2cn(C)c(=O)n(C)c2=O)C1 1028840395 CVEAGPYYQMJUJZ-GFCCVEGCSA-N 318.377 -0.841 30 20 DBED C#Cc1cncc(C(=O)NC2CN([C@H](C)c3nnnn3C)C2)c1 1030928126 GREZEELHSUCUKA-SNVBAGLBSA-N 311.349 -0.238 30 20 DBED CC#CCN1CC(NC(=O)C2(n3cnnn3)CCOCC2)C1 1031083118 ADMHNITXTBIFMP-UHFFFAOYSA-N 304.354 -0.998 30 20 DBED CC#CCN1CC[C@@H](N(C)C(=O)c2nccnc2C(N)=O)C1 1033648002 LBMBWSUAFJJRNS-LLVKDONJSA-N 301.350 -0.255 30 20 DBED C#CCCN1CC2(CCN(C(=O)CN3CCOCC3=O)CC2)C1 1035721994 JGCCYAHSONFERJ-UHFFFAOYSA-N 319.405 -0.207 30 20 DBED C#CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)c1ccn(CCN(C)C)n1 1037406991 DHSWZMQQFHWNIC-SNPRPXQTSA-N 301.394 -0.120 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2CCN2Cc2cnn(C)n2)nn1 1038783513 PRHFFZQYEPGZLU-GFCCVEGCSA-N 316.369 -0.403 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2CCN2[C@@H]2CCCNC2=O)nn1 1038791319 OXESLVOVLHWSFR-DGCLKSJQSA-N 318.381 -0.453 30 20 DBED C=CCCCC(=O)N1CC[C@](O)(CNC(=O)c2cnnn2C)C1 1039610075 WZTBZHABLOYFFW-HNNXBMFYSA-N 321.381 -0.135 30 20 DBED C#CCOCCC(=O)NC[C@]1(O)CCN(C(=O)CSC)C1 1039719429 UPKILEDDUGJNKE-CQSZACIVSA-N 314.407 -0.531 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@](O)(CNC(=O)C2(C)CC2)C1 1040073825 MILNXARNRVFEJV-MRXNPFEDSA-N 321.377 -0.994 30 20 DBED C=CCCC(=O)N1CC[C@](O)(CNC(=O)[C@H]2CCC(=O)NC2)C1 1040255375 IUISKUIRNSSUFU-LRDDRELGSA-N 323.393 -0.442 30 20 DBED C[C@@H]1CN(C(=O)C(N)=O)CC[C@@H]1CNc1nccnc1C#N 1040440799 FXYFGSIADGWJAB-NXEZZACHSA-N 302.338 -0.270 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)Cc2cccnc2)C1 1040759618 BVVZODPABMWIRY-LRDDRELGSA-N 316.361 -0.137 30 20 DBED C[C@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)c2cccnn2)C1 1040760082 LYHCOYWLOVTXLJ-YGRLFVJLSA-N 303.322 -0.671 30 20 DBED N#Cc1cnc(N2C[C@@H](O)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)cn1 1040964842 JNBJMHRYVYCSAW-CHWSQXEVSA-N 323.316 -0.472 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)Cc3cncnc3)C2)cn1 1041000278 ZWACKZGQTVFNDR-HUUCEWRRSA-N 324.344 -0.348 30 20 DBED N#CCN1CC[C@]2(CCN(C(=O)CN3C(=O)CCC3=O)C2)C1 1041823851 QCHRWQKJYHLALB-HNNXBMFYSA-N 304.350 -0.417 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)[C@@H](CC)OC)C1 1041914064 TWLIDNPDMLTFOM-VXGBXAGGSA-N 312.366 -0.861 30 20 DBED CC#CCN1CC[C@@H]2CCN(C(=O)CN3CCNC(=O)C3)C[C@H]21 1042183817 NBWMBENHYCKEJC-HUUCEWRRSA-N 318.421 -0.636 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)c2cc(C#N)c[nH]2)C1 1042391263 DHLUZGOMURKXOZ-UHFFFAOYSA-N 314.345 -0.007 30 20 DBED CO[C@H](C)C(=O)N1CC(O)(CNC(=O)c2cc(C#N)c[nH]2)C1 1042401708 QSUBNSHVIHDAJY-SECBINFHSA-N 306.322 -0.776 30 20 DBED Cc1nc[nH]c1CC(=O)N1CC(O)(CNC(=O)C#CC(C)C)C1 1042938558 ZHQMKAXNNMKFTG-UHFFFAOYSA-N 318.377 -0.390 30 20 DBED C=CCCOCC(=O)NCC1(O)CN(C(=O)c2n[nH]cc2C)C1 1043568136 KDTRHDMTORGHEX-UHFFFAOYSA-N 322.365 -0.386 30 20 DBED CC1(C(=O)NCC2(O)CN(C(=O)C#CC3CC3)C2)CCOCC1 1043898403 JXAAUDMTSCNRQN-UHFFFAOYSA-N 320.389 -0.094 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)[C@@H](F)CC)C1 1044805054 BPXYZNVVSDXNIG-QWRGUYRKSA-N 300.330 -0.538 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)c2cccnn2)C1 1045232459 UCYINZDTMDWHAV-UHFFFAOYSA-N 302.334 -0.417 30 20 DBED C=CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C(N)=O)cn2C)C1 1047444090 WHTHAHGZVDGAPA-KBPBESRZSA-N 320.393 -0.183 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2cn(CC3CC3)nn2)C1 1047581383 XDNKQIQSHPWUGZ-GJZGRUSLSA-N 317.393 -0.172 30 20 DBED CN(C(=O)[C@@H]1CCc2n[nH]cc2C1)[C@H]1CN(CC#N)C[C@@H]1O 1047596894 BMOYLSPNUQJKGO-SWHYSGLUSA-N 303.366 -0.458 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C2=COCCC2)C1 1048515415 YUJIZQPRHZEMFE-KBPBESRZSA-N 324.377 -0.087 30 20 DBED C=CCCN1C[C@H]2CN(C(=O)CN3CCOCC3=O)C[C@H]2C1 1048865883 RGQYZRYHFPMMLI-OKILXGFUSA-N 307.394 -0.189 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCOC2)C1 1048940936 AWRNGKKGMVNIOY-XUXIUFHCSA-N 324.377 -0.909 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC(=O)NC2)C1 1049058142 JGAIZIMOCAYYFP-AVGNSLFASA-N 323.393 -0.491 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(C)n2)C1 1049081333 CFHXQVMBLLYDBB-STQMWFEESA-N 319.365 -0.882 30 20 DBED Cn1cc(C(=O)N2CCC[C@@H]3[C@H]2CCN3CC#N)ncc1=O 1049605579 PLTYLCONDQXDNC-CHWSQXEVSA-N 301.350 -0.017 30 20 DBED CC(C)C#CC(=O)N1CC[C@H]([C@@H](C)NC(=O)CNC(N)=O)C1 1050643296 ZUSVAFDGCAREGQ-NEPJUHHUSA-N 308.382 -0.333 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)c1ccc(CNC(C)=O)o1 1051169116 RVEZOHMDQRVMGE-CYBMUJFWSA-N 319.361 -0.021 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)c1ccc(=O)n(CC)n1 1051173090 PDNIEUMNHICGPC-GFCCVEGCSA-N 304.350 -0.673 30 20 DBED C#CCCN1CCN([C@@H]2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)CC1 1052086587 VPRBFHXMLFSPRL-KFWWJZLASA-N 318.421 -0.650 30 20 DBED N#CCN1CC2(C1)CN(C(=O)[C@@H]1CCCN(C(N)=O)C1)CCO2 1053332022 INZATZGOEPWOOE-GFCCVEGCSA-N 321.381 -0.786 30 20 DBED C#CCN1CC2(C1)CN(C(=O)c1cc(C(N)=O)co1)CCO2 1053423943 QDRXYRDPDYEALF-UHFFFAOYSA-N 303.318 -0.462 30 20 DBED C=CCOCC(=O)NC[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(N)=O 1053657764 VLWPNWOCMLREDN-ZSBIGDGJSA-N 309.366 -0.440 30 20 DBED N#Cc1cncc(N[C@H]2C[C@H]3C[C@@H](C2)N(C(=O)C(N)=O)C3)n1 1054839697 PTTHVHAFOTXFDG-QXEWZRGKSA-N 300.322 -0.375 30 20 DBED C=CCOCC(=O)N[C@]1(CO)CCCN(C(=O)COC)C1 1055831427 NNERISZODGUVSI-CQSZACIVSA-N 300.355 -0.695 30 20 DBED CCC(=O)NCC(=O)N1CCC[C@](CO)(NC(=O)[C@@H](C)C#N)C1 1056092941 FQHOYPQKLCPGBC-NHYWBVRUSA-N 324.381 -0.858 30 20 DBED Cn1cncc1CC(=O)NC1[C@H]2CN(c3nccnc3C#N)C[C@H]12 1056254761 RZLRMXRVKIWZJG-RYUDHWBXSA-N 323.360 -0.125 30 20 DBED CN(c1ccnc(C#N)n1)[C@H]1CCN(C(=O)[C@H]2COCCO2)C1 1056868257 AESITZAOKCGLBM-NWDGAFQWSA-N 317.349 -0.199 30 20 DBED C=C[C@](C)(O)CC(=O)NCCN(CCO)C(=O)c1ccc[nH]1 1056951174 DQZBGJFKGICXNX-HNNXBMFYSA-N 309.366 -0.108 30 20 DBED N#Cc1nccnc1N1CCCN(C(=O)[C@@H]2CCNC2=O)CC1 1057205059 XKCVSPUPNUBGOR-LLVKDONJSA-N 314.349 -0.477 30 20 DBED N#Cc1ccc(N2CCCN(C(=O)[C@@H]3CNC(=O)N3)CC2)cn1 1057216497 WPMJOPBDPAGYDP-ZDUSSCGKSA-N 314.349 -0.327 30 20 DBED N#Cc1c[nH]c(C(=O)N(CCO)CCNC(=O)c2ccon2)c1 1057291446 FEKQTPHCRLPLRK-UHFFFAOYSA-N 317.305 -0.261 30 20 DBED C=C[C@@](C)(O)CC(=O)N(CCO)CCNC(=O)c1cn[nH]c1 1057449672 FZXCUYZXWOHWFW-CQSZACIVSA-N 310.354 -0.713 30 20 DBED C=C(C)CCC(=O)NCCN(CCO)C(=O)c1cnnn1C 1057474485 NKLMITQPRQTZLX-UHFFFAOYSA-N 309.370 -0.278 30 20 DBED C#CCO[C@H](C)C(=O)N(CCO)CCNC(=O)C1=COCCC1 1057583681 WYNVOHLQKQFXQH-CYBMUJFWSA-N 324.377 -0.344 30 20 DBED C=C(C)CCC(=O)NCCN(CCO)C(=O)C(C)(C)C(N)=O 1057880305 WETKDYWIYGFLNU-UHFFFAOYSA-N 313.398 -0.209 30 20 DBED C=CCCOCC(=O)N(CCO)CCNC(=O)C#CC1CC1 1057919021 JIOFZNXVPZYHHR-UHFFFAOYSA-N 308.378 -0.070 30 20 DBED C=C[C@H](C)[C@H](C)C(=O)N(CCO)CCNC(=O)CNC(N)=O 1058433286 MZHCVQSOHHYOIF-QWRGUYRKSA-N 314.386 -0.950 30 20 DBED N#Cc1ccc(N2CC[C@@H](NC(=O)[C@H]3CCCC(=O)N3)C2)nn1 1058472738 GBONUAFYSLQYSQ-VXGBXAGGSA-N 314.349 -0.288 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N 1058659385 YFJOZTRKDOZBBF-XQQFMLRXSA-N 309.366 -0.326 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)C[C@@H](C)COC 1058682531 FZFNBAKCHIAKBV-CYBMUJFWSA-N 316.398 -0.201 30 20 DBED C=CCO[C@@H](C)C(=O)NCC[C@H]1CCN(C(=O)CC(N)=O)C1 1059383239 QBEJXSOTMYHICX-RYUDHWBXSA-N 311.382 -0.192 30 20 DBED N#Cc1cnc(N[C@H]2C[C@H](NC(=O)[C@@H]3CNC(=O)N3)C2)cn1 1059391880 LNENKXJDVMLHHD-NRPADANISA-N 301.310 -0.911 30 20 DBED CN1C[C@H](C(=O)N[C@H]2C[C@@H](N=c3cc[nH]c(C#N)n3)C2)CC1=O 1059862265 DVIUDXSVTBUKHK-MXWKQRLJSA-N 314.349 -0.692 30 20 DBED COCC(=O)NC[C@H]1COCCN1C(=O)c1c[nH]c(C#N)c1 1061195496 JDZPADBVZLIQKL-LBPRGKRZSA-N 306.322 -0.510 30 20 DBED C=CCC(CC=C)C(=O)NC[C@H]1COCCN1C(=O)C(N)=O 1061611817 PLKALROIKKNRII-LBPRGKRZSA-N 309.366 -0.416 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)c1ncccn1 1061848162 PEDXJJMLLJERGS-WDEREUQCSA-N 303.322 -0.407 30 20 DBED C=C1CC(C)(C(=O)NC[C@@H]2COCCN2C(=O)CNC(N)=O)C1 1061885702 UNSAJRUUTXVHKF-LLVKDONJSA-N 324.381 -0.645 30 20 DBED C=CCOCC(=O)N1CCO[C@@H](CNC(=O)c2nc(C)c[nH]2)C1 1064974189 NJUXZMHLQFHSKU-LBPRGKRZSA-N 322.365 -0.122 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC[C@H](NC(=O)CNC(C)=O)CC1 1065777379 VZGLLFCISLKXCG-JSGCOSHPSA-N 323.393 -0.342 30 20 DBED N#Cc1ccc(N2CC[C@@H]3[C@@H]2CCCN3C(=O)CC(N)=O)nn1 1066127655 NKRNBSZGKOBIRS-NWDGAFQWSA-N 314.349 -0.207 30 20 DBED N#Cc1cncc(N2C[C@H]3CC[C@H]2CN3C(=O)c2nc[nH]n2)n1 1068048147 KCKITNBQRGMRSR-WDEREUQCSA-N 310.321 -0.040 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC2(CC[C@@H](CNC(=O)COC)O2)C1 1068493283 SFOPLDMVTPSAJU-STQMWFEESA-N 324.377 -0.453 30 20 DBED Cc1nn[nH]c1C(=O)N1CC[C@@H](N=c2cc[nH]c(C#N)n2)[C@H]1C 1068933074 ARZUIKWQYUBLGZ-NXEZZACHSA-N 312.337 -0.088 30 20 DBED CCc1nc(C#N)cc(N[C@@H]2CCN(C(=O)C(N)=O)[C@H]2C)n1 1068945767 KOTNJANXHMEKQR-WCBMZHEXSA-N 302.338 -0.203 30 20 DBED Cc1c[nH]c(C(=O)N2CC3(C[C@@H](NC(=O)[C@@H](C)C#N)CO3)C2)n1 1069001878 AHIQYOQBQCISJC-GXSJLCMTSA-N 317.349 -0.023 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1COC2(C1)CN(C(=O)c1cnn(C)n1)C2 1069004534 WTNNKCPVSQPLON-ZJUUUORDSA-N 318.337 -0.926 30 20 DBED N#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)C2=COCCC2)C1 1069902671 JOBPHZPVYPKFMN-OLZOCXBDSA-N 302.338 -0.163 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(CC)C[C@@H]1n1ccnn1 1069949267 NXQADAGVZDXKMH-ILXRZTDVSA-N 316.409 -0.263 30 20 DBED C=CCN[C@@H]1CN(C(=O)c2cc(=O)n(C)o2)C[C@@H]1n1ccnn1 1070184254 QGRLUHTUXFADNP-MNOVXSKESA-N 318.337 -0.589 30 20 DBED C#CCN1CCOC[C@H]1c1n[nH]c(CNC(=O)c2cn[nH]c2)n1 1070579934 CYORHPDHNBWCIK-NSHDSACASA-N 315.337 -0.536 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)C4(C(N)=O)CC4)C[C@@]3(C1)O2 1070848628 TYLUZOKUKJRTKS-HWWQOWPSSA-N 303.362 -0.813 30 20 DBED CC#CCN1CCNC(=O)CCN(C(=O)c2cnnn2C)CC1 1070960111 WHJQEHBDTBMZGS-UHFFFAOYSA-N 318.381 -0.898 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@@H]1C 1072300910 XLILNSBDNDOFKP-NWDGAFQWSA-N 323.393 -0.499 30 20 DBED CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N2CC3(CCN(CC#N)C3)C2)O1 1072978436 VQWGZJHASPCYHP-QWHCGFSZSA-N 320.393 -0.320 30 20 DBED C=CCn1cc(C(=O)N2CC3(CCN(CC(=O)NC)C3)C2)nn1 1073043006 MIWXAKXHFMDISS-UHFFFAOYSA-N 318.381 -0.642 30 20 DBED C=CCN1CCCO[C@@H](CNC(=O)[C@@H]2CCS(=O)(=O)C2)C1 1073684026 GOUACBLXCKJDIF-OLZOCXBDSA-N 316.423 -0.186 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2CN(CC(N)=O)CCCO2)cn1 1073866178 TZUAHVSSRISVIU-AWEZNQCLSA-N 316.361 -0.631 30 20 DBED CC(=O)N1CC(C(=O)N2CC[C@@H]3OCCN(CC#N)[C@@H]3C2)C1 1074225356 DWPFYRRIZFYMOP-KGLIPLIRSA-N 306.366 -0.710 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)c3c[nH]c(=O)cn3)C[C@@H]21 1074323921 HBWHVSXNUQYPIL-STQMWFEESA-N 302.334 -0.682 30 20 DBED CC(=O)N[C@H](C)C(=O)N1CCC(O)(CNC(=O)[C@H](C)C#N)CC1 1074451588 XWFHKASPJBMWHL-GHMZBOCLSA-N 324.381 -0.860 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CCN(C(=O)c2ccon2)CC1 1074496309 RQTPUKJMLFTFFG-JTQLQIEISA-N 306.322 -0.082 30 20 DBED C=CCCC(=O)NCC[C@H](C)NC(=O)Cn1cnc(C(N)=O)n1 1075886639 CLACFKKJOXNDOR-JTQLQIEISA-N 322.369 -0.646 30 20 DBED C[C@@H](CCNC(=O)c1c[nH]c(C#N)c1)NC(=O)c1cn(C)nn1 1076215348 BOIHCCIRBMKTKC-VIFPVBQESA-N 315.337 -0.047 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC[C@H](C)NC(=O)CC(=O)N(C)C 1076308654 KUGXYEYGSOIICO-XHDPSFHLSA-N 313.398 -0.197 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[C@H](C)NC(=O)CC(N)=O 1076725206 IMAZVJXZWIKPFD-MJVIPROJSA-N 311.382 -0.146 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3cn[nH]c3)cn2)C1 1077258188 VWVWLJHXUCZOMB-ZIAGYGMSSA-N 312.333 -0.230 30 20 DBED Cc1nc2ccnn2cc1C(=O)N[C@@H]1CN(CC#N)C[C@H]1O 1077915342 FNLQBHGRCXCJGM-VXGBXAGGSA-N 300.322 -0.664 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3nnc(C)n3C2)C1 1078222894 VKFCELURYKFVBN-YNEHKIRRSA-N 305.382 -0.504 30 20 DBED CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)CNC(=O)C2CC2)C1 1080411966 YTSCJWCOZAEVBY-JTQLQIEISA-N 306.366 -0.268 30 20 DBED CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)c2cn(C)c(=O)n2C)C1 1080419598 CFXDTFZFJLTFOH-SNVBAGLBSA-N 319.365 -0.444 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CN([C@H](C)C(N)=O)C[C@H]2C)nn1 1080579264 XKWOLOWIWPYXFY-GMTAPVOTSA-N 306.370 -0.612 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CO)(NC(=O)[C@H](C)CC(N)=O)CC1 1080932327 HSMRZDAXJZIDOI-MNOVXSKESA-N 324.381 -0.873 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)CC(=O)NCC)C[C@@H]1O 1081441717 LQRDCXBQKKXONV-STQMWFEESA-N 323.393 -0.748 30 20 DBED C=CCCC(=O)N1C[C@H](CNC(=O)c2[nH]nnc2C)[C@@H](O)C1 1081637707 PPSYKRFKQJIJAJ-QWRGUYRKSA-N 307.354 -0.372 30 20 DBED C#CCCN1C[C@@H](NC(=O)[C@@H](C)N2C(=O)CCC2=O)[C@H](OC)C1 1081758997 KDZWMJOOIWRBGX-JHJVBQTASA-N 321.377 -0.637 30 20 DBED C#CCCN1C[C@@H](NC(=O)c2ccc(=O)n(C)c2)[C@H](OC)C1 1081889716 KYYAKLFTPDVQEH-ZIAGYGMSSA-N 303.362 -0.162 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1nccn2cc(C)nc12 1082310573 UUIWKYPRNZDVLW-VXGBXAGGSA-N 314.349 -0.010 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)c2cccn3c(O)nnc23)C1 1083948320 XNOVPCUUMBPZPL-NEPJUHHUSA-N 317.349 -0.214 30 20 DBED C=C(Cl)CN1CC[C@H](NC(=O)CN2CC(=O)NC2=O)[C@H]1C 1088927019 GWEVKGYGISSAKE-ZJUUUORDSA-N 314.773 -0.130 30 20 DBED C=CCN1CC[C@@H](NC(=O)Cc2c(C)nc(O)nc2O)[C@H](O)C1 1090670054 AHJMVAILEICFHB-VXGBXAGGSA-N 322.365 -0.524 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(c2nc(C)ns2)C[C@@H]1O 1091092925 POPSRBUJGQURFK-GBIKHYSHSA-N 312.395 -0.161 30 20 DBED Cn1nncc1C(=O)N[C@H]1CC2(CN(CC#N)C2)n2ccnc21 1092367018 ZREYOMWRALPUFV-JTQLQIEISA-N 312.337 -0.579 30 20 DBED Cc1cc(C#N)nc(NCCNC(=O)CN2CCOCC2)n1 1093553170 PPWHYKHMDCLSCH-UHFFFAOYSA-N 304.354 -0.483 30 20 DBED C[C@H](CN1CCOCC1)C(=O)NCCNc1cnc(C#N)cn1 1093643258 HQLGYAARHJMTEU-GFCCVEGCSA-N 318.381 -0.155 30 20 DBED CC[C@]1(C(=O)NCCN=c2cc[nH]c(C#N)n2)CCNC1=O 1094219020 OOWLZNUMKBCUCT-AWEZNQCLSA-N 302.338 -0.785 30 20 DBED C=CCN1CCN(C(=O)Cc2cc[nH]n2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094617752 UVXYFXMDXRTOQH-QWHCGFSZSA-N 324.406 -0.552 30 20 DBED Cc1cnn(CC(=O)N[C@H]2CC(=O)N(C3CN(CC#N)C3)C2)c1 1094707933 SBNPBQAJRSKTSW-LBPRGKRZSA-N 316.365 -0.884 30 20 DBED N#CCN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN1CC(=O)NC1=O)C2 1095014114 DRUGMOOWBIZSGS-AXFHLTTASA-N 305.338 -0.969 30 20 DBED CNC(=O)CC(=O)N1CCCN(c2cncc(C#N)n2)CC1 1095177211 LANPYMWUBOTMAM-UHFFFAOYSA-N 302.338 -0.477 30 20 DBED Cc1cc(C#N)nc(N(C)CCCNC(=O)C2(C(N)=O)CC2)n1 1095718057 HQGWWRRWQOBZLH-UHFFFAOYSA-N 316.365 -0.135 30 20 DBED CC(=O)NCC(=O)N(C)C1CCN(c2ccnc(C#N)n2)CC1 1096094488 ZYDNVPFPEGBMAZ-UHFFFAOYSA-N 316.365 -0.088 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CCCN(c2cnc(C#N)cn2)C1 1096133199 QWUMVOANIFXQNX-LLVKDONJSA-N 302.338 -0.431 30 20 DBED CS(=O)(=O)CC(=O)N[C@H]1CCCN(c2ccnc(C#N)n2)C1 1096149710 DZQNYLBWMHYDGX-JTQLQIEISA-N 323.378 -0.522 30 20 DBED Cc1ccc(C#N)c(N2CC[C@H](NC(=O)CNC(N)=O)C2)n1 1096323062 WDVQGANRSYLFLK-NSHDSACASA-N 302.338 -0.375 30 20 DBED N#Cc1cncc(N[C@@H](CNC(=O)Cn2ncnn2)C2CC2)n1 1096731144 MLGJHKQDOWSCMQ-NSHDSACASA-N 313.325 -0.658 30 20 DBED CC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1CCN(C)C(=O)C1 1097375208 KMCPOBBKOYPCHW-KFWWJZLASA-N 318.421 -0.495 30 20 DBED Cc1nnc(CC(=O)NC[C@@H](C)N=c2cc[nH]c(C#N)n2)o1 1097820550 FIRWCAIFLXCRBH-MRVPVSSYSA-N 301.310 -0.379 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCC(=O)N1C)Nc1ccc(C#N)nn1 1098230375 LOBUQEZWMMMNQY-GXSJLCMTSA-N 302.338 -0.114 30 20 DBED CC#CCN(CCO)C1CCN(C(=O)CCNC(=O)NC)CC1 1098362410 QACHIACAOBIHDK-UHFFFAOYSA-N 324.425 -0.386 30 20 DBED CC#CCN1CC[C@@H](NC(=O)C(C)(C)NC(=O)NCC)[C@H](O)C1 1100023985 CBAWMYDNKXQVHX-CHWSQXEVSA-N 324.425 -0.341 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CCc2cnccn2)[C@@H](O)C1 1100066238 FDWROVCRGWAQLW-CABCVRRESA-N 302.378 -0.016 30 20 DBED CNC(=O)NCC(=O)NC[C@@H]1CCCN1c1ccncc1C#N 1100915115 KVUFPVRTZZDMLF-LBPRGKRZSA-N 316.365 -0.033 30 20 DBED CCC(=O)NCC(=O)NC[C@@H]1CCN(c2ccnc(C#N)n2)C1 1100951372 BUGPFHIZTAVLJV-NSHDSACASA-N 316.365 -0.183 30 20 DBED C#CCNC1CC(CNC(=O)CCCCCS(N)(=O)=O)C1 1101085358 KVBFCXMUKVIOGX-UHFFFAOYSA-N 315.439 -0.047 30 20 DBED C#CCNC(=O)CC(=O)N(C)CCNc1ncnc2c1CCC2 1101551207 YUXSKUQSBPPCOM-UHFFFAOYSA-N 315.377 -0.025 30 20 DBED CCc1nc(C#N)cc(NCCN(C)C(=O)c2nnn(C)n2)n1 1101896482 FQKGRAPYMQQENS-UHFFFAOYSA-N 315.341 -0.382 30 20 DBED CNC(=O)CC(=O)N(C)[C@H]1CCN(c2ccc(C#N)nn2)C1 1102697237 AFERNNLZWYVMPW-NSHDSACASA-N 302.338 -0.479 30 20 DBED C[C@@H](CNC(=O)[C@H]1CN(C)C(=O)N1)CNc1cnc(C#N)cn1 1104177216 OZAVTMCYGHYPHC-MWLCHTKSSA-N 317.353 -0.464 30 20 DBED C[C@H](C(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1)n1cccc1 1105788311 IMJVXAAVDHSPBQ-VXGBXAGGSA-N 314.349 -0.278 30 20 DBED Cc1n[nH]c(C)c1C(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1 1105932648 QSJMNLBFKWMOIY-SNVBAGLBSA-N 315.337 -0.687 30 20 DBED COCCO[C@H](C)C(=O)NC[C@H](O)CNc1nccnc1C#N 1105963942 WDSOUEIBLSMFTC-GHMZBOCLSA-N 323.353 -0.711 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H](O)CN=c1cc(C)[nH]cc1C#N 1105970321 FIXBHZSVBFHQJI-TZMCWYRMSA-N 316.361 -0.389 30 20 DBED N#Cc1cccnc1NC[C@@H](O)CNC(=O)c1cncnc1O 1106007933 XXARIFUKUVZAPO-SNVBAGLBSA-N 314.305 -0.348 30 20 DBED Cc1cncn1CC(=O)NC[C@@H](O)CNc1cncc(C#N)n1 1106026715 POSHJLFRECCCKG-LBPRGKRZSA-N 315.337 -0.558 30 20 DBED C#CCCCC(=O)N1C[C@@H](C)[C@H](CNCC(=O)NC(=O)NC)C1 1106069120 WBWKVOMEJXAVEW-CHWSQXEVSA-N 322.409 -0.070 30 20 DBED C[C@@]1(C(=O)NC[C@@H](O)CNc2ccc(C#N)nc2)CCC(=O)N1 1106084095 ZIXBHUFSMGKUSH-WFASDCNBSA-N 317.349 -0.489 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)c2nnc(O)nc2O)C[C@H]1C 1106380105 UAWVBDLCFAVGTJ-NXEZZACHSA-N 305.338 -0.396 30 20 DBED C=CCNC[C@@H]1CN(C(=O)CS(=O)(=O)N(C)C)C[C@H]1C 1106933889 MROJPBSGFPIYBJ-VXGBXAGGSA-N 303.428 -0.252 30 20 DBED CN1C[C@H](C(=O)NC/C=C\CNc2ccc(C#N)nn2)NC1=O 1107450920 JAKPRHOYIRKSCU-OTDNITJGSA-N 315.337 -0.544 30 20 DBED C[C@@]1(CNC(=O)[C@@H]2CCCO2)CN(CC(=O)NCC#N)CCO1 1107718975 UHYHREWGEKXZRT-SWLSCSKDSA-N 324.381 -0.988 30 20 DBED CNC(=O)NCCC(=O)N[C@H](C)CN=c1cc[nH]c(C#N)n1 1107733878 WSUHKBWQAHTNID-SECBINFHSA-N 305.342 -0.994 30 20 DBED CCc1nc(C#N)cc(NC[C@H](C)NC(=O)CC(=O)NC)n1 1108326513 ZMVMQPUCLANZEA-VIFPVBQESA-N 304.354 -0.037 30 20 DBED CNC(=O)NCCC(=O)N[C@@H](C)CNc1ccc(C#N)nn1 1108362223 FXQZMIDLLURDOA-VIFPVBQESA-N 305.342 -0.416 30 20 DBED C[C@@H](CNc1cncc(C#N)n1)NC(=O)[C@H](C)N1CCOCC1 1108435242 PTBRPOSPBIBOGX-RYUDHWBXSA-N 318.381 -0.014 30 20 DBED CC(C)C[C@H](C(N)=O)C(=O)NC[C@@]1(C)CN(CC#N)CCO1 1108446130 YJSOQVSFYZOVOF-DOMZBBRYSA-N 310.398 -0.135 30 20 DBED COCC#CCN1CC(N2C[C@@H](NC(=O)C3(C)CC3)CC2=O)C1 1108546119 ORDTYHRYIGSSDU-ZDUSSCGKSA-N 319.405 -0.162 30 20 DBED CC#CCN1CC(N2C[C@@H](NC(=O)CCCN(C)C)CC2=O)C1 1108567005 SRFCARZNACTBAR-AWEZNQCLSA-N 320.437 -0.247 30 20 DBED C=C(C)CN1CC(N2C[C@H](NC(=O)CCCC(N)=O)CC2=O)C1 1108595147 HIPBKSBNNUEQNS-GFCCVEGCSA-N 322.409 -0.381 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@H](C)CN(C)c1nccn2nnnc12 1108923010 GUFMDZOUWVAUQB-YGRLFVJLSA-N 319.369 -0.213 30 20 DBED CN1C[C@H](C(=O)NCC2(N=c3cc[nH]cc3C#N)CC2)NC1=O 1110301839 PNSASZGKNWRNBG-GFCCVEGCSA-N 314.349 -0.541 30 20 DBED Cc1cc(C#N)nc(N2CC[C@](O)(CNC(=O)[C@@H](C)C#N)C2)n1 1111042364 TVEZSERHYDIVGX-BONVTDFDSA-N 314.349 -0.126 30 20 DBED C[C@H](CC(N)=O)C(=O)N(CCO)CCNc1cnc(C#N)cn1 1111535814 YKTIHGTZUQRMQV-SNVBAGLBSA-N 320.353 -0.907 30 20 DBED CCOCC(=O)NC1(CO)CCN(c2ccc(C#N)nn2)CC1 1112648619 ZYQZUUGQOJJYEL-UHFFFAOYSA-N 319.365 -0.168 30 20 DBED COCC(=O)NC[C@H]1CN(c2nc(C)ccc2C#N)C[C@H]1O 1112693223 YPOJNXLCKQLWEE-QWHCGFSZSA-N 304.350 -0.179 30 20 DBED C#CCO[C@H](C)C(=O)N1CCN(CC(=O)NC(=O)NCC)CC1 1112844932 MVQAMGHEJBDNDI-GFCCVEGCSA-N 324.381 -0.985 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)[C@H]2CC(=O)N(C)C2)CC1 1112908679 CSPRGAXBHZKPNE-OLZOCXBDSA-N 322.409 -0.700 30 20 DBED CCOCC1(C(=O)N2CCN(CC(=O)NCC#N)CC2)CC1 1113027675 YDRPWBAYUFYNRF-UHFFFAOYSA-N 308.382 -0.413 30 20 DBED C[C@H](CNC(=O)Cn1cnnn1)N(C)c1ncc(C#N)cc1F 1113486723 FQBJLIZOKVHQRP-SECBINFHSA-N 318.316 -0.280 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H](C)N(C)c1cc(F)ncn1 1113567263 NWYSHRMHSKHQTF-JTQLQIEISA-N 307.329 -0.304 30 20 DBED Cc1cc(C#N)nc(N(C)[C@H](C)CNC(=O)[C@@H]2COC(=O)N2)n1 1113591057 OSGLCWYSKNASNO-KOLCDFICSA-N 318.337 -0.294 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCN(CCN2CCNC2=O)CC1 1113712766 FHVOEEXXBVELQJ-ZDUSSCGKSA-N 310.398 -0.253 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)[C@@H](C)OCC3CC3)[C@@H]2C1 1113988071 PHUOMKPYVMEMHC-MRVWCRGKSA-N 319.405 -0.403 30 20 DBED C=CCOCCCC(=O)N[C@H]1[C@@H]2CN(Cc3nnnn3C)C[C@@H]21 1114109338 UAPSDDQLAJXTBN-JYAVWHMHSA-N 320.397 -0.261 30 20 DBED C[C@H](C(=O)NC1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]12)n1cccc1 1114143815 UOVSVWRDRDKSHG-JHJVBQTASA-N 315.377 -0.265 30 20 DBED C=C[C@](C)(O)CC(=O)NC1[C@H]2CN(Cc3n[nH]c(C)n3)C[C@H]12 1114193957 JREIVFHVEIMGKA-PGUXBMHVSA-N 305.382 -0.013 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)[C@@H](C)OCCOC)[C@H]2C1 1114918506 DFPDFCDRHBFQCU-KBXIAJHMSA-N 310.394 -0.266 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3cn(CC)cn3)[C@H]2C1 1115129028 XOWPQVBRCKFMEV-JYAVWHMHSA-N 315.377 -0.688 30 20 DBED N#CCC1CCN(C(=O)C(=O)NCc2nnnn2C2CC2)CC1 1117518524 OEBPAVAJKRQWDB-UHFFFAOYSA-N 317.353 -0.224 30 20 DBED Cc1cc(C(=O)NC[C@H](CO)Nc2nccnc2C#N)ncn1 1121311141 PALPWDYKRVAPNL-SNVBAGLBSA-N 313.321 -0.351 30 20 DBED Cc1cc(=N[C@@H](CO)CNC(=O)c2ccn(C)n2)c(C#N)c[nH]1 1121580071 DVBJUPSMJZXBQI-GFCCVEGCSA-N 314.349 -0.380 30 20 DBED C[C@H]1CCN(CC(=O)NC[C@H](CO)N=c2cc[nH]c(C#N)n2)C1 1122528078 SBXQQGNDPOWBSJ-NWDGAFQWSA-N 318.381 -0.999 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)[C@@H]2CCC(=O)NC2)cn1 1122830707 VOLLXTHIXZAVOW-ZWNOBZJWSA-N 317.349 -0.632 30 20 DBED C[C@@H]1[C@H](N=c2cc[nH]cc2C#N)CCN1C(=O)CCNC(N)=O 1123012736 ORMCBNDWWGJBFL-ZYHUDNBSSA-N 316.365 -0.165 30 20 DBED CC(=O)NCC(=O)N(C)C[C@@H](O)CNc1nc(C)cc(C#N)n1 1124087148 ZNZRIOLRPXACGF-LBPRGKRZSA-N 320.353 -0.976 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)[C@@H]1C[C@H]1OCC 1124141520 VTJJNWWWJLNVJP-GHMZBOCLSA-N 312.370 -0.871 30 20 DBED C=CCOCC(=O)NCCNCCNC(=O)NC(C)(C)C 1124767891 NNRNZDRGVHOVGK-UHFFFAOYSA-N 300.403 -0.008 30 20 DBED C[C@@H](C#N)C(=O)NCCNCc1cn(C[C@H]2CCOC2)nn1 1124903513 QXZYSGQBTCNFSZ-NWDGAFQWSA-N 306.370 -0.320 30 20 DBED C[C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C[C@@H]1CNCC#N 1133030344 BGPKAUPDYRGDTM-OLZOCXBDSA-N 307.398 -0.984 30 20 DBED C[C@@H](C[C@H](C)NC(=O)c1cc(C#N)c[nH]1)NCC(=O)NC(N)=O 1134014217 NZFDARXHOBBHDC-IUCAKERBSA-N 320.353 -0.432 30 20 DBED COCC#CCNCCNC(=O)Cc1c(C)nc(O)nc1O 1135669369 MFNDRYGMHXGSPJ-UHFFFAOYSA-N 308.338 -0.906 30 20 DBED CCn1cc(C(=O)N[C@H](C)C[C@@H](C)NCC(=O)NCC#N)nn1 1135806507 FKWFGUSQAFCRJM-GHMZBOCLSA-N 321.385 -0.576 30 20 DBED C[C@H](C[C@@H](C)NC(=O)Cn1ccnc1)NCC(=O)NCC#N 1146780662 YKSOHXJMRLLFIO-VXGBXAGGSA-N 306.370 -0.604 30 20 DBED C=CCNC(=O)[C@H](C)N1CCC2(CN(C(=O)CNC(C)=O)C2)C1 1146919503 IMYJDOTUDJKHOR-LBPRGKRZSA-N 322.409 -0.653 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC2(CCN(Cc3nc(O)n[nH]3)C2)C1 1147530447 MXIDDQPXWMXHSP-NSHDSACASA-N 319.365 -0.417 30 20 DBED N#CCNC(=O)CN1CCC2(C1)CN(C(=O)[C@]1(F)CCOC1)C2 1148138172 QCIZEKDDMDXQCR-HNNXBMFYSA-N 324.356 -0.711 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)NCCNCc1nonc1C 1152399427 VCXIZYACKLHWQI-UHFFFAOYSA-N 324.385 -0.152 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)c1cn(CC)nn1 1156064503 YVLGYILNKUHTGP-GFCCVEGCSA-N 320.397 -0.512 30 20 DBED C#CCNC(=O)CC(=O)NCCCNCc1noc(C2CC2)n1 1156857128 DSYPTWGGVUKPAT-UHFFFAOYSA-N 319.365 -0.318 30 20 DBED C#CCCCC(=O)NCCCNC[C@H](O)CN1CCCC1=O 1157170297 FVRQOVOEZZLULN-AWEZNQCLSA-N 309.410 -0.131 30 20 DBED C[C@@H](C#N)C(=O)N1CCCC[C@@H]1CN(C)CC(=O)NC(N)=O 1157696310 SPVAGUSWOYIGPD-WDEREUQCSA-N 309.370 -0.346 30 20 DBED C#CCO[C@@H](C)C(=O)NCCCNCc1nc(N(C)C)no1 1157868800 ACNNUHHVKLSHPF-NSHDSACASA-N 309.370 -0.230 30 20 DBED C=CCn1cc(C(=O)NCCCNCC(=O)N2CCCC2)nn1 1167838576 HJFIJFPWVFPNTQ-UHFFFAOYSA-N 320.397 -0.204 30 20 DBED N#CCNC(=O)CNCCCNC(=O)c1cnn(CC2CC2)c1 1170400847 BISXAUMQWQYFCV-UHFFFAOYSA-N 318.381 -0.358 30 20 DBED C=CCNC(=O)CNCCCC[C@H](C)NC(=O)Cc1nc[nH]n1 1176095508 GBOPSTBOHUJNEI-LBPRGKRZSA-N 322.413 -0.086 30 20 DBED CN(C)C(=O)C1(C(=O)N2CC[C@H]3OCCN(CC#N)[C@@H]3C2)CC1 1177133231 ZAOLYYPMEYONPE-CHWSQXEVSA-N 320.393 -0.320 30 20 DBED COCC#CCNC[C@@H]1C[C@H]2CC[C@H]1N(C(=O)CC(N)=O)C2 1177676299 XJNZOWWTKYYRHT-HZSPNIEDSA-N 307.394 -0.272 30 20 DBED CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CC[C@H](NCC#N)[C@@H]1C 1179481130 BYHVQSPASCMAEW-BPNCWPANSA-N 318.381 -0.441 30 20 DBED C[C@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)[C@H]1CCN(C)C1 1180124322 HCTBPCULZDRDTP-AVGNSLFASA-N 307.398 -0.843 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)c2n[nH]c(C)c2O)C1 1182032550 FRQRJVGMDJTPMA-SNVBAGLBSA-N 307.354 -0.470 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)c2cnc(N(C)C)cn2)C1 1182580483 WCNJWNCJPXFKPX-CYBMUJFWSA-N 317.393 -0.004 30 20 DBED C#CCNC[C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C[C@H]1C 1184422568 IHMJTCWKLSGWBJ-NEPJUHHUSA-N 318.381 -0.916 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)c2cnc(O)n2C)C1 1184833525 GGOUWYCDUIJCCQ-SNVBAGLBSA-N 307.354 -0.768 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)[C@@H]2CCCOC2)C1 1189301124 QLZKUTJHBCGZAW-ZIAGYGMSSA-N 307.394 -0.305 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](N(C)CCCN2C(=O)CNC2=O)C1 1189400882 PXPREOOYEPRQJW-NEPJUHHUSA-N 321.381 -0.379 30 20 DBED CC#CCN(C)[C@H]1CCN(C(=O)CCc2nnc(O)nc2O)C1 1191121003 XHUVTKZTXATWQU-NSHDSACASA-N 319.365 -0.229 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)CCc2ccon2)C1 1191352319 ULOYXLJKQPCYMI-AWEZNQCLSA-N 318.377 -0.111 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CN(Cc2nnnn2C(C)(C)C)C[C@H]1O 1191854200 JTTPHPYDDVXWKV-GMTAPVOTSA-N 321.385 -0.751 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2ccnnc2)C1 1192513956 UAHANGLWMQZWQM-CYBMUJFWSA-N 303.366 -0.075 30 20 DBED CN(CC(=O)NCC#N)[C@@H]1CCN(C(=O)c2ccnnc2)C1 1192513974 USCDXXBAPNUATJ-GFCCVEGCSA-N 302.338 -0.737 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2ccccn2)C[C@H]1O 1192843893 AGSOWEXBQNHBPQ-BPLDGKMQSA-N 303.362 -0.219 30 20 DBED C=CCCN(C)[C@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 1194060569 MPUUYUKCNAZGPS-NWDGAFQWSA-N 301.412 -0.213 30 20 DBED N#CCNC(=O)CN1CCCN(C(=O)c2ccncc2)CC1 1194655492 MZUSYTHBRPARCN-UHFFFAOYSA-N 301.350 -0.131 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)CNC(=O)CCC)CC1 1195100158 DNOTUPWBLPSFLD-UHFFFAOYSA-N 324.425 -0.261 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)C[C@H]2COC(=O)C2)CC1 1195481176 VCIPJCXLIOEHFJ-CYBMUJFWSA-N 321.377 -0.777 30 20 DBED N#CCNC(=O)CNC1CCN(C(=O)[C@H]2C[C@H]3CC[C@H]2O3)CC1 1199860595 SUVWNUVDMSHVJS-HZSPNIEDSA-N 320.393 -0.226 30 20 DBED CCOCC(=O)N[C@H]1C[C@H](NCC(=O)NCC#N)C12CCC2 1202373260 ZQJFHUNABYQIJP-RYUDHWBXSA-N 308.382 -0.320 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)c2cncnc2C)C1 1207488814 FZKBEZXZLXPYGJ-CYBMUJFWSA-N 315.377 -0.271 30 20 DBED C#CCCN[C@H]1CCCN(C(=O)Cn2ccc(=O)n(C)c2=O)C1 1208276555 SRPRKKJTAZLQCG-ZDUSSCGKSA-N 318.377 -0.849 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)C[C@H]2CCC(=O)N2)C[C@H]1C 1215879112 SSTDPESNOGOJBK-MGPQQGTHSA-N 307.394 -0.259 30 20 DBED CCn1cc(C(=O)N2C[C@@H](NCC#CCOC)[C@H](C)C2)nn1 1216117257 DFHITDOVLNCLPK-CHWSQXEVSA-N 305.382 -0.002 30 20 DBED CC[C@H](C)C(=O)N[C@@H]1CN(CC(=O)N(CC)CCC#N)C[C@@H]1O 1219208330 NVXQIXYYPFPXOG-MJBXVCDLSA-N 324.425 -0.044 30 20 DBED C=CCOCCCC(=O)N[C@@H]1CN(Cc2cnnn2C)C[C@@H]1O 1219424332 IYCDQSZZDJYFIU-KGLIPLIRSA-N 323.397 -0.541 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(CC(=O)Nc2ccon2)C[C@@H]1O 1219589357 YWEITVJGRHBNRT-NEPJUHHUSA-N 320.349 -0.566 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CN(CCOCC(F)F)C[C@@H]1O 1219591860 XYBATGCNNLSDJP-NEPJUHHUSA-N 302.321 -0.157 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)COCCOc2ccccc2)C1 1219930504 HZWDGQFVCICBDD-CVEARBPZSA-N 318.373 -0.124 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)CS(=O)(=O)C(C)C)C1 1220996357 SCLCMHVCBRESHO-MNOVXSKESA-N 324.830 -0.277 30 20 DBED C=CCOCCN1CC[C@@H]2CN(C(=O)[C@@H]3COC(=O)N3)[C@@H]2C1 1221517673 HDPZHEJOXSXMHQ-FRRDWIJNSA-N 309.366 -0.170 30 20 DBED C#CCCN[C@@H]1CCCC[C@H]1NC(=O)CN1CCOCC1=O 1226809409 YYVLUFGQOVZNIV-ZIAGYGMSSA-N 307.394 -0.115 30 20 DBED COCC#CCN1CC[C@H]1CN(C)C(=O)[C@@H]1CN(C)CCO1 1231369527 USBQOXWMTOAPDX-GJZGRUSLSA-N 309.410 -0.501 30 20 DBED C#CCOCCNC(=O)C(=O)N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1260310316 WNZWJXKRSLPWIC-CJNGLKHVSA-N 324.377 -0.451 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(CC(=O)NCCC)C1 1316980701 CKPWLGFZBBEHRP-GJZGRUSLSA-N 320.437 -0.199 30 20 DBED COC[C@](C)(C#N)NC(=O)C1CCN(S(C)(=O)=O)CC1 1319335587 MTWGVNGEGDFDAX-LBPRGKRZSA-N 303.384 -0.297 30 20 DBED C=CC[C@H](NS(=O)(=O)N(C)CCC(=O)OC)C(=O)OCC 1320266092 RJYXTDHTWJBYHX-JTQLQIEISA-N 322.383 -0.177 30 20 DBED C[C@@H](OC(=O)CN1CCC(=O)NC1=O)C(=O)NC1(C#N)CCC1 1320761623 QQQQEISCVZAOEH-SECBINFHSA-N 322.321 -0.578 30 20 DBED CN(C)c1ncc(CNC(=O)C(=O)NCC2(CC#N)CC2)n1C 1322619188 VXLAIWVMJVZIMS-UHFFFAOYSA-N 318.381 -0.088 30 20 DBED C#CCN(CC1CC1)C(=O)CNS(=O)(=O)CCOCC 1323920445 YBUHYIBAVFDSMN-UHFFFAOYSA-N 302.396 -0.186 30 20 DBED C=CCCO[C@H](C)C(=O)OCC(=O)N[C@@H]1CCS(=O)(=O)C1 1324480950 YJYSFZHBZMTAKX-GHMZBOCLSA-N 319.379 -0.186 30 20 DBED C[C@@H](O)C[C@@H]1COCCN1C(=O)C(=O)N(C)CC(C)(C)C#N 1325114327 GKEXIGVSGANXSW-VXGBXAGGSA-N 311.382 -0.007 30 20 DBED C#C[C@H](NC(=O)C(=O)N1C[C@@H]2CCC[C@]2(CN)C1)[C@@H]1CCCO1 1326548531 CILRQJJZTRLRMW-WSMBLCCSSA-N 319.405 -0.129 30 20 DBED N#CCC1(CS(=O)(=O)NCCCn2cc(CO)nn2)CC1 1327079889 LIIGPFVNRBODAA-UHFFFAOYSA-N 313.383 -0.226 30 20 DBED C=CCOCCNC(=O)C(=O)N(C)[C@@H](C)CS(=O)(=O)CC 1327926140 FVEUCKGOZFEIJL-NSHDSACASA-N 320.411 -0.413 30 20 DBED C=CCN(C(=O)C(=O)N[C@H]1CS(=O)(=O)C[C@@H]1OC)C1CC1 1331070343 RYDYAKFZDGEYFZ-QWRGUYRKSA-N 316.379 -0.908 30 20 DBED C=CCn1c([C@@H]2CCNC(=O)CC2)nnc1N1CCNC(=O)C1 1339557565 VXVNTYIBXATXFV-NSHDSACASA-N 318.381 -0.216 30 20 DBED C#CCN1CCN(c2nnc([C@H](O)COC)n2CC=C)CC1 1339932424 XYPBTADLXMBIML-CYBMUJFWSA-N 305.382 -0.101 30 20 DBED CCN(CCS(C)(=O)=O)C(=O)C(=O)NCCCCC#N 1341850838 VFPPPJJGFRYEDC-UHFFFAOYSA-N 303.384 -0.310 30 20 DBED N#CCN1CCC(NC(=O)C(=O)NCCC2CCNCC2)CC1 1349625732 IWUQBLJEDUYASV-UHFFFAOYSA-N 321.425 -0.404 30 20 DBED C=CCOCCn1nnnc1N(C)[C@@H]1CCS(=O)(=O)C1 1352361702 GNKUQOOWPXXDSS-SNVBAGLBSA-N 301.372 -0.501 30 20 DBED C=CCn1c(C(N)=O)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1355920945 FDXFRPYITRJYFQ-QWRGUYRKSA-N 307.354 -0.053 30 20 DBED CC(C)n1cnnc1CN(C)c1[nH]c(=O)n(C)c(=O)c1C#N 1364196745 URSYKQXWVJWVML-UHFFFAOYSA-N 303.326 -0.246 30 20 DBED COc1cc(C)cnc1C(=O)NC[C@H](O)CNC(=O)[C@@H](C)C#N 1376641946 NTLHOITZBKRURB-WDEREUQCSA-N 320.349 -0.235 30 20 DBED C[C@H](CC(N)=O)C(=O)NC[C@@H](O)CNCc1ccc(C#N)cc1 1379235574 XZGICCSIVGPGGF-RISCZKNCSA-N 318.377 -0.364 30 20 DBED C[C@H]1CCCCN1C(=O)CN1CC(O)(CNC(=O)[C@H](C)C#N)C1 1393305087 QXNGXKQAMJEOKD-OLZOCXBDSA-N 322.409 -0.290 30 20 DBED Cc1nn(C)c(=O)c(C(=O)N(C)CCNC(=O)[C@@H](C)C#N)c1C 1398014672 OXLUUQOTDQNKHV-VIFPVBQESA-N 319.365 -0.255 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)CCc1ccncn1 1399836530 SZPCRYCQZLGXPX-ZYHUDNBSSA-N 305.338 -0.838 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H](C)CNC(=O)c1nc2ncccn2n1 1404475247 ZZGBWVQQWDMQGN-VHSXEESVSA-N 315.337 -0.139 30 20 DBED COCCN(CCNC(=O)[C@@H](C)C#N)C(=O)c1cnns1 1405775900 WMXVZCINNNAVCJ-VIFPVBQESA-N 311.367 -0.097 30 20 DBED Cc1nn(C)c(C)c1OCC(=O)NC1CN(C(=O)[C@@H](C)C#N)C1 1409055597 JKMYYOHBGCSLFV-VIFPVBQESA-N 319.365 -0.098 30 20 DBED C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)N(C)C(=O)c1cnnn1C 1411519616 FFJFSKVTCNWPDE-VIFPVBQESA-N 315.337 -0.095 30 20 DBED CCC[C@]1(CO)CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)C1 1412187806 KMAHPLKUKZOPSE-HNNXBMFYSA-N 320.349 -0.168 30 20 DBED C[C@@H](C(=O)NC(=O)NC1CC1)N(C)CCN(C)C(=O)[C@H](C)C#N 1422153233 SBXDWJSYYAQGCE-MNOVXSKESA-N 323.397 -0.087 30 20 DBED C[C@@H](CNC(=O)[C@H](C)C#N)NC(=O)C(C)(C)N1CCOCC1 1428789275 YWHZINIDEKMQIV-NEPJUHHUSA-N 310.398 -0.122 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1c[nH]nc1C1CC1 1431571948 OXCUJEVEZQHPQW-PSASIEDQSA-N 305.338 -0.346 30 20 DBED CC[C@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)[C@@H]1CCC(=O)N1 1432638935 LWMJICRUVSIKJR-MNOVXSKESA-N 317.349 -0.210 30 20 DBED C[C@@H](C#N)C(=O)N1CC([C@@H](C)NC(=O)CN2CCCC2=O)C1 1443168267 SIYPPJGEBBDGPA-WDEREUQCSA-N 306.366 -0.268 30 20 DBED N#Cc1cn(CCC(=O)NC[C@@H](O)C(F)(F)F)c(=O)nc1O 1447651869 OHJOYHMUDOKULR-SSDOTTSWSA-N 320.227 -0.750 30 20 DBED Cc1n[nH]c(C)c1CC(=O)N(C)C[C@@H](O)CNC(=O)[C@H](C)C#N 1451855395 VJLLMNJPFBVPEB-SKDRFNHKSA-N 321.381 -0.336 30 20 DBED CCc1c(C(=O)NC[C@H](O)CNC(=O)[C@@H](C)C#N)cnn1C 1452394336 NIPRLEANBGKZQY-VHSXEESVSA-N 307.354 -0.651 30 20 DBED CCS(=O)(=O)C[C@@H](C)N(C)c1[nH]c(=O)n(C)c(=O)c1C#N 1472696692 PIHLOAHIIUHTAK-MRVPVSSYSA-N 314.367 -0.795 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1C[C@@H](NC(=O)c2c[nH]c(=O)cn2)C1 1514928699 GUQUQWQYGYRKEX-LPEHRKFASA-N 303.322 -0.446 30 20 DBED C=C(C)C[C@@H](CO)NS(=O)(=O)c1cncc(-c2nn[nH]n2)c1 1573299257 JJQWCHMPIOZWHC-JTQLQIEISA-N 324.366 -0.133 30 20 DBED C=C(CN(C)C)C(=O)N1C[C@@H]2OC(=O)N(C3CCNCC3)[C@@H]2C1 1573308339 VGXWUMAQBVHOKP-KGLIPLIRSA-N 322.409 -0.112 30 20 DBED C=C(Cl)C[C@@H](NS(=O)(=O)c1cnc(N)nc1)C(=O)O 1573308482 XDJVWNBCVJXRFZ-SSDOTTSWSA-N 306.731 -0.067 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCN(C)C(=O)CNC(=O)O 1573325466 JTWGAIUBNVPFIC-JQWIXIFHSA-N 313.354 -0.190 30 20 DBED C#CC[C@@H](NC(=O)c1ccnc(N2CCOCC2)n1)C(=O)O 1588417151 ZCIOLAIJIMBZBG-LLVKDONJSA-N 304.306 -0.481 30 20 DBED C=CCN(CC(=O)OCC)S(=O)(=O)c1cc(C(=O)O)[nH]n1 1588823926 DHQCJFBEIOZTGD-UHFFFAOYSA-N 317.323 -0.152 30 20 DBED C#CC[C@H](NC(=O)[C@@H](O)[C@@H](O)c1nc2ccccc2[nH]1)C(=O)O 1602684958 KKBVRQHNFPFJHZ-TUAOUCFPSA-N 317.301 -0.450 30 20 DBED C[C@H](C(=O)N1C[C@H]2COC[C@@]2(C(=O)O)C1)n1cnc(C#N)n1 1602789790 XGJFUJOJMNFVTJ-ZDMBXUJBSA-N 305.294 -0.730 30 20 DBED C=CCN1CC[C@H](N2CCN([C@@]3(C(=O)O)CCOC3)CC2)C1=O 1602898362 QCJUBKVYRFEAHN-BBRMVZONSA-N 323.393 -0.365 30 20 DBED N#Cc1cn(CC(=O)N2CCC[C@H](CC(=O)O)C2)c(=O)nc1O 1605622867 GHTAUSVTFIAABZ-SECBINFHSA-N 320.305 -0.466 30 20 DBED C#CCNC(=O)CSc1nc(N)c(C#N)cc1-c1nn[nH]n1 1609021308 QUSJKJMCZMXXSM-UHFFFAOYSA-N 314.334 -0.443 30 20 DBED C#CC[C@H](NC(=O)[C@H](C(C)C)N1CCCS1(=O)=O)C(=O)O 1609076544 PRBSVQNJAOXBCR-QWRGUYRKSA-N 316.379 -0.361 30 20 DBED COC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)c1ccc(C#N)cn1 1647614517 UKKOPTFYZSLUCR-LLVKDONJSA-N 323.330 -0.635 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H](C)N[C@@H]2CCC(=O)NC2=O)nc1 1752912497 DIZBJULJJKVEOK-ZWNOBZJWSA-N 314.345 -0.424 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC[C@@H]1CNC(=O)c1cn(C)nn1 1753104748 IMLNPMYVAYKLQF-NWDGAFQWSA-N 318.381 -0.853 30 20 DBED C=CCNC(=O)CN1CC[C@H](CNC(=O)CCn2ccnn2)C1 1753121350 AAQKANJFQJSMIW-CYBMUJFWSA-N 320.397 -0.592 30 20 DBED C#CCN1CC[C@H](CCNC(=O)CCS(=O)(=O)N(C)C)C1 1753340793 JXFZOPOMXSYJQD-ZDUSSCGKSA-N 315.439 -0.271 30 20 DBED C=CCN(C)C[C@@H]1CCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)C1 1753356538 RLXUVZISMLHFTH-NSHDSACASA-N 322.365 -0.627 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)CC(=O)NCC 1753419886 IIJIBOKBUWCVPC-AGIUHOORSA-N 322.409 -0.512 30 20 DBED CC#CCN1CC(N(C)C(=O)[C@@H](CCC)S(N)(=O)=O)C1 1754579509 RUFZFVBMAJPBBX-GFCCVEGCSA-N 301.412 -0.391 30 20 DBED C#CCN(C(=O)c1cnnc(O)c1)C1CCN(CCO)CC1 1754638881 OCGGTMRPJHSWJZ-UHFFFAOYSA-N 304.350 -0.286 30 20 DBED C=CCN1CC(O)(CNC(=O)CCc2c(C)ncnc2O)C1 1754769906 PULLLIWEQVPULH-UHFFFAOYSA-N 306.366 -0.228 30 20 DBED C=C(C)CCN1CC(O)(CNC(=O)c2ccc(C(N)=O)cn2)C1 1754780840 POMPGXSNMPGDIT-UHFFFAOYSA-N 318.377 -0.077 30 20 DBED CC#CCN1CCC[C@](CO)(NC(=O)c2c[nH]c(=O)cn2)C1 1754858208 WKHGOEGJGXOTRP-HNNXBMFYSA-N 304.350 -0.650 30 20 DBED C=C(C)CN1CC(CCO)(NC(=O)CNC(=O)N2CCCC2)C1 1755331093 CTSPPJKIZWVCTH-UHFFFAOYSA-N 324.425 -0.079 30 20 DBED N#CCNC(=O)CN[C@H](CO)CNC(=O)c1ccoc1C1CC1 1755636386 GZNUFINHNHVCIK-NSHDSACASA-N 320.349 -0.523 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H](CO)NC(=O)c1ncccc1C 1756521929 ZNCQPAODNAZKSX-CHWSQXEVSA-N 319.361 -0.365 30 20 DBED C#CCOCCC(=O)N(C)C[C@H]1CCCCN1C(=O)CC(N)=O 1756864737 DNGNLVWVGJQTJH-CYBMUJFWSA-N 323.393 -0.259 30 20 DBED C#CCOCCC(=O)N1CC[C@H]1CN(C)C(=O)C1(C(N)=O)CC1 1757301783 KTAUDTGXZJYJDA-LBPRGKRZSA-N 321.377 -0.649 30 20 DBED COC(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC#N)C2 1792570432 CATMDJAVJOMBHW-PTEHBNRSSA-N 309.366 -0.085 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)CN(C)C)C1 1842678234 YIKGGKNWIRQEHR-ZDUSSCGKSA-N 307.394 -0.210 30 20 DBED O=C(C#CC1CC1)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1nccn1 1847747907 VFEUCQAELCWIAS-KBPBESRZSA-N 313.361 -0.107 30 20 DBED C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)NC)c1 16557723 YOPJKPKDYOYRCX-UHFFFAOYSA-N 310.331 -0.499 30 20 DBED C#Cc1cccc(NC(=O)CNC(=O)NCCS(C)(=O)=O)c1 58241909 UBOLJPXUROICGN-UHFFFAOYSA-N 323.374 -0.050 30 20 DBED C/N=C(/NCC(=O)NC)N1CCN(C(=O)c2ccco2)CC1 73181131 VLIMACJHBAZJPG-UHFFFAOYSA-N 307.354 -0.641 30 20 DBED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCNC(=O)C2)CC1 92616856 DVMBYHJKNQYDJD-CYBMUJFWSA-N 307.398 -0.889 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N[C@@H]1CCc2nc(C)nn2C1 105934478 LPJFIUMZQKIJLH-GXSJLCMTSA-N 306.370 -0.109 30 20 DBED CNC(=O)CN1CCC(NC(=O)C2(C#N)CCOCC2)CC1 109139642 SBUNZLNLKALNHJ-UHFFFAOYSA-N 308.382 -0.367 30 20 DBED N#Cc1ccc(F)cc1CN1CCN2C(=O)C(=O)NC[C@@H]2C1 152952364 LPHBHEMSBCRMLV-CYBMUJFWSA-N 302.309 -0.160 30 20 DBED CCOC(=O)C[C@H](C)N(C)c1c(C#N)c(=O)n(C)c(=O)n1C 182093558 CHNXUNXEGLULLV-VIFPVBQESA-N 308.338 -0.266 30 20 DBED C#C[C@H](NC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)C(C)C 281921427 HAFRPCABTDTXNF-GGRQXOBESA-N 304.346 -0.077 30 20 DBED N#Cc1ncn(CC(=O)N2CCO[C@H](COCC3CC3)C2)n1 330123706 AVDRDCBYYBUSAD-LBPRGKRZSA-N 305.338 -0.196 30 20 DBED COCCO[C@@H]1CCN(/C(O)=N/C[C@H]2CN(C)CCO2)C1 331236222 UCPMSBFJXFUKBU-OLZOCXBDSA-N 301.387 -0.032 30 20 DBED CCCCCN(CC(N)=O)S(=O)(=O)N1CCO[C@@H](C#N)C1 336897287 OHRFEEOFBNLAMF-NSHDSACASA-N 318.399 -0.567 30 20 DBED CC(C)[C@H](NC(=O)NC(C)(C)C)C(=O)NCC(=O)NCC#N 344156735 NGJZBAMLBFKDHL-NSHDSACASA-N 311.386 -0.135 30 20 DBED COC(=O)CN(CC#N)S(=O)(=O)c1ccc(N(C)C)nc1 344548131 BLCLYCXADIYAFQ-UHFFFAOYSA-N 312.351 -0.165 30 20 DBED COC(=O)[C@H]1CC[C@H](NC(=O)NCCn2cnc(C#N)n2)C1 346328886 TUXMKQNHCSDUNX-UWVGGRQHSA-N 306.326 -0.209 30 20 DBED C[C@H]1CS(=O)(=O)C[C@@H]1NS(=O)(=O)c1cncc(C#N)c1 352725291 JMRVDRZWGNFTFI-KWQFWETISA-N 315.376 -0.335 30 20 DBED CNS(=O)(=O)c1ccc(C(=O)NC2(C#N)CCOCC2)cn1 353423140 YDZPUTACBPMMKF-UHFFFAOYSA-N 324.362 -0.208 30 20 DBED C=CCN(C(=O)[C@H]1CN(CC)CCO1)[C@H]1CCS(=O)(=O)C1 355252885 ILRJYCRZSGSEPL-QWHCGFSZSA-N 316.423 -0.091 30 20 DBED C=CCNC(=O)NC(=O)CN1CCN(Cc2cnn(C)c2)CC1 357765606 BQAYDPFBDJCALY-UHFFFAOYSA-N 320.397 -0.451 30 20 DBED COC(=O)C(C)(C)N1CCN(S(=O)(=O)[C@H](C)C#N)CC1 416468623 ZMYVSCAFYKTFKE-SNVBAGLBSA-N 303.384 -0.203 30 20 DBED CN1CCNC[C@H]1CNS(=O)(=O)c1ccc(C#N)c(F)c1 420459724 RFXGBSCKOVSSAR-NSHDSACASA-N 312.370 -0.121 30 20 DBED COC[C@](C)(C#N)NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 528829374 FUNPTJCRQMACGL-JQWIXIFHSA-N 303.384 -0.297 30 20 DBED CC(C)[C@H](C#N)N1CCN(C(=O)CN(C)[C@@H]2CCNC2=O)CC1 538131684 CEKCUYSSRXZLQM-KGLIPLIRSA-N 321.425 -0.501 30 20 DBED N#Cc1ccc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)O)c(F)c1 547902970 HWAPKPXHTQUBAV-PSASIEDQSA-N 314.294 -0.094 30 20 DBED N#Cc1cc(NCCNS(=O)(=O)c2cccnc2)ncn1 567341859 LUOHYHCQKOLLKA-UHFFFAOYSA-N 304.335 0.134 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCCCC(=O)O)C1=O 583440919 DQOMWNBNFPOUPE-SNVBAGLBSA-N 311.338 -0.787 30 20 DBED CC[C@@H]1CN(S(=O)(=O)N2CCO[C@@H](C#N)C2)[C@@H](C)CO1 593641668 IZIZFUBLSMLLNX-TUAOUCFPSA-N 303.384 -0.045 30 20 DBED CCS(=O)(=O)N[C@H](C)C(=O)NCC1CCN(CC#N)CC1 597294821 VGZBIMJGBGLNGF-LLVKDONJSA-N 316.427 -0.334 30 20 DBED COC[C@@H](OC)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 597554728 XQMQBYWSAMTFGW-CYBMUJFWSA-N 321.381 -0.090 30 20 DBED C[C@@H](N)C1CCN(C(=O)C(=O)N2CCN(CCC#N)CC2)CC1 601582030 ITEZWCMAPDZOKC-CYBMUJFWSA-N 321.425 -0.370 30 20 DBED CN1CCN(CCS(=O)(=O)c2ccc(C#N)cn2)[C@@H](CO)C1 602905481 OHEVAINARFBYOV-CYBMUJFWSA-N 324.406 -0.665 30 20 DBED C=CCC1(NC(=O)CNS(=O)(=O)N(C)C)CCOCC1 618250684 KSZHBXGWTZKPCV-UHFFFAOYSA-N 305.400 -0.376 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(Cc2nccnc2C)c1=O 631005446 JSTTUWOLKNKZSK-UHFFFAOYSA-N 315.333 -0.310 30 20 DBED CCS(=O)(=O)CCNC(=O)C(=O)NCc1cccc(C#N)c1 787340362 FWOBGRYHVQYWCW-UHFFFAOYSA-N 323.374 -0.275 30 20 DBED CC[S@](=O)CCNS(=O)(=O)N(CCC#N)CCOC 800050732 DUIIVWQJHKJWGS-SFHVURJKSA-N 311.429 -0.549 30 20 DBED C=C(Br)CNC(=O)C(=O)NCCOCCN(C)C 807818728 OEACRMWAAHXPOU-UHFFFAOYSA-N 322.203 -0.294 30 20 DBED C#CCC[C@@H](O)CNC(=O)CNS(=O)(=O)c1cccnc1 811494140 RDUGOLDHQFNWII-LLVKDONJSA-N 311.363 -0.750 30 20 DBED O=C1NC(=O)C(=NNc2ccc(Br)nc2)C(=O)N1 814222046 WDQXYSAPIWEJSO-UHFFFAOYSA-N 312.083 -0.022 30 20 DBED Cn1c(Cl)cnc1Cn1c(N)nc(C#N)c1-c1nn[nH]n1 822601039 SQMJIZFSYDEDNZ-UHFFFAOYSA-N 304.705 -0.048 30 20 DBED C[C@H](NC(=O)CN(CC#N)CC(=O)O)C(=O)N1CCCCC1 827631095 WCYPXMVQFDELNC-NSHDSACASA-N 310.354 -0.586 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)OCC(=O)NC(=O)N[C@H](C)COC 838004551 DLJVCMRTUVLWAY-MXWKQRLJSA-N 314.338 -0.019 30 20 DBED C/N=C(/NCCN1CCOCC1)NC[C@H](CO)Cc1ccco1 849055244 LYSHCJIMDQZZJM-CQSZACIVSA-N 324.425 -0.072 30 20 DBED C#CCNC(=O)C1CCN(S(=O)(=O)CCn2cccn2)CC1 866677844 RKXBXSZDBLISDV-UHFFFAOYSA-N 324.406 -0.326 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)CN2CCCC2)CC1 874382450 DRKYRXKWTNZLMU-UHFFFAOYSA-N 306.410 -0.634 30 20 DBED N#C[C@H]1CN(C(=O)CNC(=O)N2CCCC2)CCN1C1CC1 900671299 ISQRDQCXGNFADF-ZDUSSCGKSA-N 305.382 -0.009 30 20 DBED C#CCO[C@@H](C)C(=O)NC1(C)CN(C(=O)[C@H](C)OCC#C)C1 913841347 ZAIBZLWUKRSWMR-STQMWFEESA-N 306.362 -0.220 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)/C=C\c2cn(C)cn2)CC1 931875304 VJOOKCIIHQTZSP-PLNGDYQASA-N 315.377 -0.673 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)c2ccc3nn[nH]c3n2)C1 938123648 MUSVEQFTLFUSHB-IUCAKERBSA-N 313.321 -0.157 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H](NC(=O)c3nc[nH]n3)C2)nn1 938451825 RBLMFPWKOPMYRX-VIFPVBQESA-N 316.325 -0.773 30 20 DBED O=C(N[C@@H]1CCN(C(=O)C#CC2CC2)C1)C1CS(=O)(=O)C1 940636387 MWUKCDCSYRMDJP-GFCCVEGCSA-N 310.375 -0.839 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@H](CNC(=O)c2n[nH]cc2F)C1 944763599 ZXMLLCZIMGYKII-DTWKUNHWSA-N 309.301 -0.334 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)Cn1nccn1)CCO2 949105044 NMRNQSNLWRSBNU-UHFFFAOYSA-N 303.366 -0.395 30 20 DBED N#Cc1cc(C(=O)NCC2CCN(C(=O)CC(N)=O)CC2)c[nH]1 952245339 JGLJLTPMKGWODT-UHFFFAOYSA-N 317.349 -0.270 30 20 DBED C#CCN1CCC(C(=O)N(CC)C2CN(CC(=O)NC)C2)CC1 957415944 DUIXYOCYZRNAAR-UHFFFAOYSA-N 320.437 -0.390 30 20 DBED Cc1nc(O)c(C(=O)NC[C@H]2CN(CC#N)C[C@@H]2O)nc1C 958179128 IDPFYOZVXSNIAN-QWRGUYRKSA-N 305.338 -0.655 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](CNC(=O)C2CC(=O)NC(=O)C2)C1 958484761 CXNJQMXPZOEIKP-OLZOCXBDSA-N 323.393 -0.586 30 20 DBED C#CCCN1C[C@@H](O)[C@@H](CNC(=O)c2cnc(OCC)cn2)C1 958763150 QPEKMHLKWKIGKG-GXTWGEPZSA-N 318.377 -0.079 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H](NC(=O)C(N)=O)CC1 965138694 MNBOLOCSQZWUHR-AGIUHOORSA-N 323.393 -0.050 30 20 DBED C=CCN1CCCCC[C@H]1CNC(=O)c1cn(CC(N)=O)nn1 969155506 AHUTZXATFCNOSF-LBPRGKRZSA-N 320.397 -0.076 30 20 DBED Cc1nc(CC(=O)N2CC[C@]3(CN(CC#N)CCO3)C2)n[nH]1 972373942 OFDQGSQTJXRHPJ-AWEZNQCLSA-N 304.354 -0.518 30 20 DBED C#Cc1ccc(C(=O)N(C)C[C@@H]2CCN2C(=O)CC(N)=O)cn1 978100307 WTJWOTLHLFAGID-ZDUSSCGKSA-N 314.345 -0.389 30 20 DBED COCc1nn(C)cc1C(=O)NC[C@H]1[C@@H]2CN(CC#N)C[C@H]12 978401067 BTCMGDNKLCUHAS-CNDDSTCGSA-N 303.366 -0.002 30 20 DBED C#CCN1C[C@H]2[C@H](CNC(=O)[C@@H]3CN(C(C)=O)CCO3)[C@H]2C1 979014700 MKGLVAKUMNGHAP-XQLPTFJDSA-N 305.378 -0.839 30 20 DBED C#CCN1CCCN(C(=O)[C@H]2C[C@H](OC)CN2C(C)=O)CC1 981688458 XMTNNNOUVCDIFQ-LSDHHAIUSA-N 307.394 -0.210 30 20 DBED C#Cc1ccc(C(=O)N2CC(NC(=O)Cn3cnnn3)C2)cc1 990187310 DCIRZFPVCPSOSP-UHFFFAOYSA-N 310.317 -0.705 30 20 DBED C=CCCn1cc(C(=O)N[C@@H]2CCN(C(=O)CC)C[C@H]2O)nn1 991497529 GDNXABJOTSNZDJ-DGCLKSJQSA-N 321.381 -0.044 30 20 DBED C=C(Cl)C(C)(C)C(=O)N1CC[C@H](NC(=O)C(N)=O)[C@H](O)C1 991728420 MKWVAAWARTYFJI-DTWKUNHWSA-N 317.773 -0.672 30 20 DBED C=CCCn1cc(C(=O)NC2CN(C(=O)[C@H]3CCCO3)C2)nn1 991979355 JFVSXCSPFZRDDM-CYBMUJFWSA-N 319.365 -0.026 30 20 DBED O=C1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C#CC2CC2)N1 995899211 ACZVPQAYPMYSNU-MQYQWHSLSA-N 315.373 -0.074 30 20 DBED O=C1N[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C#CC2CC2)CO1 996218207 MJBXSJPDKVTEHN-VOAKCMCISA-N 317.345 -0.244 30 20 DBED CC#CCN1CC[C@H](n2cc(CNC(=O)c3cnon3)nn2)C1 1000034884 JHRMMSIFLQMBSO-LBPRGKRZSA-N 315.337 -0.139 30 20 DBED NC(=O)[C@@H]1CC[C@@H]1C(=O)NCC1CN(C(=O)C#CC2CC2)C1 1003547109 DWDANDHEOFWAKD-OLZOCXBDSA-N 303.362 -0.514 30 20 DBED CC#CCN1CCC(N(C)C(=O)CN2CCOCC2=O)CC1 1005509309 YNIGRODQQMVWGU-UHFFFAOYSA-N 307.394 -0.209 30 20 DBED N#CCN1CCC[C@H](NC(=O)c2coc(S(N)(=O)=O)c2)C1 1007677146 FSIZRZXXTGUOHJ-JTQLQIEISA-N 312.351 -0.355 30 20 DBED CC(=O)N1CC(C(=O)N[C@@H]2CCN(C(=O)C#CC3CC3)[C@@H]2C)C1 1011739893 WCOUSODBZCBXNW-IAQYHMDHSA-N 317.389 -0.016 30 20 DBED N#CCN1CC[C@H](NC(=O)c2ccc(OCC(N)=O)cc2)C1 1015174414 NCLRCQMTNJXDEH-LBPRGKRZSA-N 302.334 -0.122 30 20 DBED C=C(Cl)CN[C@H]1CCN(C(=O)CCn2ncn(C)c2=O)C1 1019188534 VZESLAKSXAWUKK-NSHDSACASA-N 313.789 -0.085 30 20 DBED C#Cc1ccc(C(=O)N2C[C@@H]3CCN(C(=O)C(N)=O)[C@@H]3C2)cc1 1022558287 XFEUDVNBKOFZTK-UONOGXRCSA-N 311.341 -0.174 30 20 DBED C=CCn1cc(C(=O)N[C@H]2C[C@@H](NCc3n[nH]c(C)n3)C2)nn1 1022824777 MVJSBUDNBPXHBI-PHIMTYICSA-N 316.369 -0.059 30 20 DBED C#CCN1CCC(C(=O)N2C[C@@H](O)[C@H](NC(=O)CC)C2)CC1 1022850082 YFKAIFFKGOXBIN-ZIAGYGMSSA-N 307.394 -0.571 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2CCN(CC(=O)NC)C2)nc1 1028936407 WWILJSBNWNPBKO-ZDUSSCGKSA-N 300.362 -0.139 30 20 DBED C=CCN1CC[C@@H](N2CC(CNC(=O)[C@@H]3CCOC3)C2)C1=O 1031572318 JIRVKVMTGAVLRU-ZIAGYGMSSA-N 307.394 -0.142 30 20 DBED C#Cc1ccc(C(=O)NCC2CN(CCS(C)(=O)=O)C2)nc1 1032135325 PSTRAQUFRYKRFI-UHFFFAOYSA-N 321.402 -0.231 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H]2CN(Cc3cnon3)CCO2)c1 1035325827 JPHPUQSUIAJEQK-LBPRGKRZSA-N 316.321 -0.100 30 20 DBED C=CCN1CCO[C@@H](CNC(=O)[C@@H]2CN(C(C)=O)CCO2)C1 1035593775 ZYMNCYCRUDKTRT-KBPBESRZSA-N 311.382 -0.763 30 20 DBED C=CCN1CC[C@H]2CN(C(=O)Cn3cnc(C(N)=O)n3)CC[C@@H]21 1036720537 WIWCMGWKCWJTCP-RYUDHWBXSA-N 318.381 -0.514 30 20 DBED N#CCN1CC[C@H]2CN(C(=O)c3nccnc3C(N)=O)CC[C@@H]21 1036889561 CMDXAMYYMTWXOK-QWRGUYRKSA-N 314.349 -0.365 30 20 DBED C#CCN1CCC(C(=O)NC[C@H]2CCN2[C@@H](C)C(=O)NC)CC1 1039042212 NPHGFDHWPNTROL-DZGCQCFKSA-N 320.437 -0.343 30 20 DBED C[C@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(Cc1nc(=O)n(C)[nH]1)CC2 1039347474 XZLZQGMSLCVEQR-WOPDTQHZSA-N 318.381 -0.167 30 20 DBED CC(=O)N1CCC(=O)NCCN(c2nc(C)cc(C#N)n2)CC1 1039660889 PWVCXHPDURUOAR-UHFFFAOYSA-N 316.365 -0.169 30 20 DBED CC(C)C#CC(=O)NC[C@]1(O)CCN(C(=O)[C@H]2CCCO2)C1 1039664056 KDNXBSPACDUCKL-CZUORRHYSA-N 308.378 -0.096 30 20 DBED C=CCOCC(=O)N1CC[C@](O)(CNC(=O)Cc2ccc[nH]2)C1 1039879365 RMKOXMOVJXGRAX-INIZCTEOSA-N 321.377 -0.161 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC(O)(CNC(=O)c3ccon3)C2)c1 1041700211 YMXKFDGARDFXBE-UHFFFAOYSA-N 315.289 -0.509 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)c2cn(C)nc2C)C1 1042150949 FLMISPBRDSGKMV-UHFFFAOYSA-N 318.377 -0.165 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)Cc2n[nH]c(C)n2)C1 1042972733 LVXRWBVPOGAMNG-UHFFFAOYSA-N 321.381 -0.443 30 20 DBED C[C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@H]1N=c1cc[nH]c(C#N)n1 1043362000 KVNDYLBPDVPNNW-NXEZZACHSA-N 316.365 -0.460 30 20 DBED C=CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)C[C@@H](C)OC)C1 1043570602 JSWNHSPLIYQAEQ-NEPJUHHUSA-N 314.382 -0.308 30 20 DBED C#Cc1ccc(C(=O)NCC2(O)CN(C(=O)[C@@H](C)C#N)C2)cn1 1044255356 YPBJDHUHXPNPCD-NSHDSACASA-N 312.329 -0.474 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)CCn2cncn2)C1 1044478260 CVNQCFGEBBPCJM-UHFFFAOYSA-N 321.381 -0.430 30 20 DBED C=CCn1cc(C(=O)N[C@@]2(C)CCN([C@H](C)C(N)=O)C2)nn1 1046681304 MTXBLCCMIKYXHZ-YGRLFVJLSA-N 306.370 -0.468 30 20 DBED C#CCCN1CCOC[C@H]1CNC(=O)[C@H]1C[C@@H](C)CC(=O)N1 1050921579 HFQGDWITKFGZGH-MGPQQGTHSA-N 307.394 -0.259 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)[C@@H]1CCc2nnnn2CC1 1051123979 AUBUGUVFNRTTIW-CHWSQXEVSA-N 318.381 -0.924 30 20 DBED O=C1NCCC[C@H]1NC[C@@H]1CN(C(=O)C#CC2CC2)CCO1 1051609149 OXYJPSSEELCHRQ-ZIAGYGMSSA-N 305.378 -0.505 30 20 DBED N#Cc1cnc(N2CC[C@@H](NC(=O)c3cn[nH]c3)[C@H](O)C2)cn1 1051625845 FPGKLFBEGQIBPS-VXGBXAGGSA-N 313.321 -0.559 30 20 DBED N#Cc1cccnc1N1CC[C@@H](NC(=O)c2nc[nH]n2)[C@H](O)C1 1051710650 CPONDMKDZLOJLL-GHMZBOCLSA-N 313.321 -0.559 30 20 DBED C=CCOCC(=O)N1C[C@@H](C)[C@@H](CNC(=O)c2cnn[nH]2)C1 1052215688 RHJBSJZEMQGMIS-MNOVXSKESA-N 307.354 -0.168 30 20 DBED C=CCOCC(=O)N1C[C@H](C)[C@H](CNC(=O)CC(=O)NC)C1 1052221373 PYHUFZKWEHTDAZ-NWDGAFQWSA-N 311.382 -0.464 30 20 DBED CC#CCN1CCC[C@H](NC(=O)Cn2nc(C)n(C)c2=O)CC1 1052906405 WCUDZQJIZUWCTF-AWEZNQCLSA-N 319.409 -0.116 30 20 DBED C#CCN1CC2(C1)CN(C(=O)[C@H]1CCCN1C(C)=O)CCO2 1053545474 XHIGXIXFOQYJTM-CQSZACIVSA-N 305.378 -0.456 30 20 DBED CC#CCN1CC2(CC[C@@H](CNC(=O)c3nnn(C)n3)O2)C1 1053646663 BNBHASBRBIBIEB-NSHDSACASA-N 304.354 -0.803 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)[C@@H]3CCC(=O)N3C)CO2)C1 1053897651 VHIKXDJJJYHJPC-OLZOCXBDSA-N 305.378 -0.410 30 20 DBED CN1CCO[C@H](C(=O)N2CCN(c3ccncc3C#N)CC2)C1 1055751137 RCWCKRVMZPARQE-HNNXBMFYSA-N 315.377 -0.068 30 20 DBED C#CCCCC(=O)N1CCC[C@@](CO)(NC(=O)c2nc[nH]n2)C1 1056045822 RHXTXFYSYDMKCV-OAHLLOKOSA-N 319.365 -0.309 30 20 DBED N#Cc1ccc(N2C[C@H]3C(NC(=O)c4ccc(O)nn4)[C@@H]3C2)nn1 1056115229 VEKAIEURTCBBNM-NXEZZACHSA-N 323.316 -0.292 30 20 DBED C=C(C)[C@H](CC(=O)NCCN(CCO)C(=O)COC)OCC 1056788903 NVLXEFSQWKRDQZ-ZDUSSCGKSA-N 316.398 -0.059 30 20 DBED C#CCO[C@H](C)C(=O)NCCN(CCO)C(=O)CC(F)(F)F 1057134875 GDUXHHPSNGWWSG-SNVBAGLBSA-N 324.299 -0.086 30 20 DBED N#Cc1ccc(N2CCC[C@H](NC(=O)[C@H]3CNC(=O)N3)C2)nn1 1058231676 NVLRKUQWNDVSBJ-WDEREUQCSA-N 315.337 -0.885 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 1058659454 ZJHCMKYCHZYRGJ-LOWDOPEQSA-N 309.366 -0.349 30 20 DBED CN1CCOC[C@H]1C(=O)N[C@H]1C[C@H](Nc2ccc(C#N)nn2)C1 1059186708 DTJFJLXRGZPVGJ-AVGNSLFASA-N 316.365 -0.262 30 20 DBED C=CCCC(=O)NC[C@@H]1COCCN1C(=O)CNC(=O)C1CC1 1061397440 UJHWFINNSPMEPI-CYBMUJFWSA-N 323.393 -0.178 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CCCCN1C(=O)C1(NC(N)=O)CC1 1062139735 SMEFXQDCPAASLK-WDEREUQCSA-N 321.381 -0.156 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)CCn2ccnn2)CCC1 1062854192 MIASWYYGMLVQBH-LLVKDONJSA-N 304.354 -0.017 30 20 DBED CCn1cc(C(=O)N[C@@H]2[C@H]3C[C@H]2N(c2cnc(C#N)cn2)C3)nn1 1064288764 BUWJTSAMCFLDQH-MRCXROJRSA-N 324.348 -0.033 30 20 DBED C=CCOCC(=O)N1CCO[C@@H](CNC(=O)c2cnc(C)[nH]2)C1 1064976313 IDWPTCQNPUVLLC-LBPRGKRZSA-N 322.365 -0.122 30 20 DBED CCNC(=O)CC(=O)NC[C@@H]1CN(C(=O)C#CC2CC2)CCO1 1065134980 PLFSXXLZLFEILR-CYBMUJFWSA-N 321.377 -0.730 30 20 DBED C#CCOCCC(=O)N1CCO[C@@H](CNC(=O)CCOC)C1 1065150186 NFSCXCXXWPSHJS-ZDUSSCGKSA-N 312.366 -0.594 30 20 DBED Cc1ccnn1CC(=O)N1CCO[C@@H](CNC(=O)[C@@H](C)C#N)C1 1065162133 VHYUGLQKQJTRML-AAEUAGOBSA-N 319.365 -0.305 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)Cn2nccn2)CCO1 1065194310 BMLLDJIJRKRWAY-GFCCVEGCSA-N 307.354 -0.412 30 20 DBED Cc1nonc1CC(=O)NC[C@@H]1CN(C(=O)[C@H](C)C#N)CCO1 1065557461 REMQODQZPPSPRK-MWLCHTKSSA-N 321.337 -0.576 30 20 DBED CN(C(=O)c1ccc[nH]1)[C@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1065570155 QFQZNZHFSYZMFY-STQMWFEESA-N 312.333 -0.002 30 20 DBED C=CC(C)(C)C(=O)NC[C@H]1CN(C(=O)Cc2nc[nH]n2)CCO1 1065642192 PYDPUQNFVZTXSE-NSHDSACASA-N 321.381 -0.097 30 20 DBED CCOCC(=O)N1CC[C@H](N2CCN(C(=O)[C@@H](C)C#N)CC2)C1 1065683055 SFVMMLIJHJGGQZ-KBPBESRZSA-N 322.409 -0.072 30 20 DBED N#Cc1cccnc1N1C[C@@H](O)[C@H](CNC(=O)c2cc[nH]n2)C1 1067652860 ZJDXGOMFEXIDIL-DGCLKSJQSA-N 312.333 -0.097 30 20 DBED COCCC(=O)N1CC2(C[C@@H](NC(=O)C#CC3CC3)CO2)C1 1068860909 UUZBHQLUEXQUQA-CYBMUJFWSA-N 306.362 -0.078 30 20 DBED C=C(C)CN[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@@H]1n1ccnn1 1070188862 PKCLCPHTFTULDU-YPMHNXCESA-N 316.369 -0.362 30 20 DBED CC#CCN1CCNC(=O)CCN(C(=O)c2nonc2C)CC1 1071025536 LGVVDFMACNZCJP-UHFFFAOYSA-N 319.365 -0.335 30 20 DBED C[C@H]1CN(C(=O)c2cn(C)nn2)C[C@@]2(CCN(CC#N)C2)O1 1071164006 FWPBXUCAQBGYHO-FZMZJTMJSA-N 304.354 -0.356 30 20 DBED C#CCCN1CC[C@@]2(C1)CN(C(=O)C1(C(N)=O)CC1)C[C@@H](C)O2 1071205236 ZWTNCJUEFPVKHD-CZUORRHYSA-N 319.405 -0.033 30 20 DBED C[C@@H]1CC[C@H](NC(=O)Cn2ccc(O)nc2=O)CN1CC#N 1071659325 IJWDSCRGIJHHJW-MNOVXSKESA-N 305.338 -0.558 30 20 DBED C[C@@H]1CC[C@H](NC(=O)c2cnc(O)n(C)c2=O)CN1CC#N 1071734942 DIWJNZPFXBGXIO-ZJUUUORDSA-N 305.338 -0.408 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)c2ccco2)C1 1071922071 OPVNTVNQDAZTSJ-NEPJUHHUSA-N 317.345 -0.004 30 20 DBED C#CCOCCC(=O)N[C@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1C 1072017683 JTFCMWBTHQFJIZ-NEPJUHHUSA-N 319.365 -0.568 30 20 DBED C#CCCCC(=O)N1CCC(C)(NC(=O)[C@@H]2CNC(=O)N2)CC1 1072986598 DCVNZXOIKBRYQC-LBPRGKRZSA-N 320.393 -0.031 30 20 DBED C#CCCN1CCCO[C@@H](CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 1073660355 BMPYQXSKVHYKPT-OWCLPIDISA-N 323.437 -0.064 30 20 DBED O=C1NCCN1CCN1C[C@@H]2CCN(C(=O)C#CC3CC3)[C@@H]2C1 1075780398 KWKLTGORSMXNGY-LSDHHAIUSA-N 316.405 -0.042 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H](C)CCNC(=O)[C@H]1CCC(=O)N1 1075927172 WCYQZAIKPUHTBG-FIXISWKDSA-N 311.382 -0.397 30 20 DBED C[C@@H](CCNC(=O)C#CC1CC1)NC(=O)[C@@H]1CCC(=O)NC1 1076433946 XDERWXIKDVOKJD-WCQYABFASA-N 305.378 -0.063 30 20 DBED Cn1cc(C(=O)N[C@@H]2CN(CC#N)C[C@H]2O)c(-c2ccco2)n1 1076981743 NZBISIZVHZFJCV-VXGBXAGGSA-N 315.333 -0.021 30 20 DBED C=CCCOCC(=O)NCC[C@H](C)NC(=O)Cn1nccn1 1077063730 ABWKNKDSHNOKLH-LBPRGKRZSA-N 309.370 -0.118 30 20 DBED C=CCCCC(=O)NCC[C@H](C)NC(=O)CN1CC(=O)NC1=O 1078096120 HIKDXHVLTSBUOY-NSHDSACASA-N 324.381 -0.095 30 20 DBED C=CCCOCC(=O)N[C@@H](C)CCNC(=O)Cc1nc[nH]n1 1078597733 DLUJSGJIHXNBTJ-NSHDSACASA-N 309.370 -0.049 30 20 DBED CN(C)CCC(=O)N1CCC(CO)(NC(=O)C#CC2CC2)CC1 1080854222 ILJMPXFOGMHECA-UHFFFAOYSA-N 321.421 -0.179 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)c2cocn2)C[C@H]1O 1081464135 WCBLUMKZKLHWIZ-DGCLKSJQSA-N 305.334 -0.117 30 20 DBED C=C(C)CCC(=O)NC[C@H]1CN(C(=O)c2cn(C)nn2)C[C@@H]1O 1081531091 OEHDKGPVQFDLFU-AAEUAGOBSA-N 321.381 -0.280 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CCCCN1C(=O)Cn1cncn1 1082304962 BBVXHZQJSTUYBP-NEPJUHHUSA-N 304.354 -0.065 30 20 DBED CCn1ncnc1CN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H](C)C#N 1083026193 RAKSRIULUINARV-RWMBFGLXSA-N 318.381 -0.131 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1ccnc2[nH]nnc12 1083139284 QGCSUMXHZZVYBT-NWDGAFQWSA-N 312.333 -0.489 30 20 DBED Cn1cc(-c2c[nH]cc2C(=O)N[C@@H]2CN(CC#N)C[C@@H]2O)cn1 1083455491 GBEVFWZOFDXJTJ-KGLIPLIRSA-N 314.349 -0.286 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCc3nccn3C2)C1 1083581768 IYBHKWZJJZDKFM-MJBXVCDLSA-N 302.378 -0.370 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)Cc2ccc(OC)cn2)C1 1083727245 SPQPGQAXRCUJSU-CABCVRRESA-N 303.362 -0.183 30 20 DBED Cc1ncc2n1C[C@H](C(=O)N[C@@H]1CN(CC#N)C[C@@H]1O)CC2 1083731905 SVKYGTPQEKDVMD-BNOWGMLFSA-N 303.366 -0.561 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)[C@H]2CCCCN(C)C2=O)C1 1083947309 OMMNOSWHIZOYRS-MCIONIFRSA-N 309.410 -0.018 30 20 DBED CC(=O)NCC(=O)NCCC1(CN=c2cc[nH]c(C#N)n2)CC1 1089884538 FBGQUDOTSJGHDH-UHFFFAOYSA-N 316.365 -0.395 30 20 DBED C=C(C)CCN1CC[C@@H](NC(=O)Cn2ncn(C)c2=O)[C@H](O)C1 1090373132 FNLVPYFXFWXASI-CHWSQXEVSA-N 323.397 -0.901 30 20 DBED C=C(C)CCN1CC[C@H](NC(=O)Cn2ncn(C)c2=O)[C@@H](O)C1 1090373135 FNLVPYFXFWXASI-STQMWFEESA-N 323.397 -0.901 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2cn(C)ccc2=O)[C@@H](O)C1 1090419069 DDGZZJRBNAKPNT-ZFWWWQNUSA-N 303.362 -0.426 30 20 DBED CCC(=O)NCC(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@@H]1O 1091080789 NBSGSXLUXIJIDU-NEPJUHHUSA-N 317.349 -0.855 30 20 DBED COCC1(C(=O)N[C@@H]2CN(c3ccnc(C#N)n3)C[C@@H]2O)CC1 1091161577 BIWMBAOACRCSSZ-MNOVXSKESA-N 317.349 -0.559 30 20 DBED C#CCN1C[C@@H]2CN(C(=O)C[C@@H]3CC(=O)NC3=O)C[C@]2(C)C1 1092330227 GCCJISHIJLONBN-OZVIIMIRSA-N 303.362 -0.547 30 20 DBED CNC(=O)CC(=O)NC[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1C 1092355799 GVWAMFZYRQCQEJ-GHMZBOCLSA-N 316.365 -0.327 30 20 DBED C=CCN1C[C@@H](C)[C@H](CNC(=O)[C@H]2CCN(C)S2(=O)=O)C1 1093044322 GUXCHGOYKBIHSZ-JHJVBQTASA-N 315.439 -0.110 30 20 DBED Cc1nsc(N2C[C@@H]3C(NC(=O)CNC(N)=O)[C@H]3C2)c1C#N 1093211914 WLPOXQCEVWUBKE-IUCAKERBSA-N 320.378 -0.458 30 20 DBED N#Cc1ccc(NCCNC(=O)c2ccoc2CC(N)=O)nn1 1094069140 GPIZQPXKILPAPM-UHFFFAOYSA-N 314.305 -0.189 30 20 DBED C=CCCN1CC(N2C[C@@H](NC(=O)Cc3cc[nH]n3)CC2=O)C1 1094718019 SJMMUJDJRPYPPS-ZDUSSCGKSA-N 317.393 -0.070 30 20 DBED Cn1cc(C(=O)N2C[C@H]3C[C@H](NCC#N)C[C@H]2C3)ncc1=O 1094965887 OUQKZTLJYKRYNU-SDDRHHMPSA-N 301.350 -0.113 30 20 DBED CN(c1cncc(C#N)n1)[C@H]1CCN(C(=O)CCNC(N)=O)C1 1095117253 PBMBAIUJKOSDGZ-NSHDSACASA-N 317.353 -0.556 30 20 DBED COCCC(=O)NCCN1CCN(c2ccc(C#N)nn2)CC1 1096259625 BLAUDHBBZLGUJA-UHFFFAOYSA-N 318.381 -0.377 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCN(c2cc(F)ncn2)C1 1096361211 XPPXZYISOBEXTM-SNVBAGLBSA-N 305.313 -0.550 30 20 DBED CCN1CCOC[C@H]1C(=O)NC[C@H](C)Nc1cnc(C#N)cn1 1098129036 SUGRPYWEAYCZCS-AAEUAGOBSA-N 318.381 -0.014 30 20 DBED C#CCN(CCO)C1CCN(C(=O)Cc2ccnn2C)CC1 1098355094 PJQLISZZKQIYOF-UHFFFAOYSA-N 304.394 -0.119 30 20 DBED N#Cc1ccccc1CN1CC[C@@H](NC(=O)CC(N)=O)[C@H](O)C1 1099757454 FTLZJLUOQGIZLC-ZIAGYGMSSA-N 316.361 -0.515 30 20 DBED C=CCCN1CC[C@H](NC(=O)C(=O)NCC(F)F)[C@@H](O)C1 1099901923 QETOBOMZAUMDFE-UWVGGRQHSA-N 305.325 -0.505 30 20 DBED CCC1(C(=O)N[C@@H]2CCN(CC(=O)NCC#N)C[C@@H]2O)CCC1 1099963977 DOJTZLWTZMPKMX-OLZOCXBDSA-N 322.409 -0.242 30 20 DBED CN(CCNC(=O)[C@H]1CCC(=O)N1C)c1ccc(C#N)nn1 1100279916 JOMFYSGDLHNVJS-LLVKDONJSA-N 302.338 -0.479 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)CO[C@@H]2CCOC2)C1 1100327344 CGDCQYLPPUJYMB-JXQTWKCFSA-N 323.393 -0.974 30 20 DBED CC#CCNC1CC(CNC(=O)CN(C)S(C)(=O)=O)C1 1100379987 MUVFYJAJZYELGW-UHFFFAOYSA-N 301.412 -0.615 30 20 DBED CN1CC[C@H](C(=O)NCCN(C)c2ccc(C#N)nn2)CC1=O 1100398562 NDVXGSLMBYJILA-NSHDSACASA-N 316.365 -0.231 30 20 DBED COc1cc(C(=O)NCCN(C)c2cncc(C#N)n2)nn1C 1100414035 PSSNUNDRBNXGOT-UHFFFAOYSA-N 315.337 -0.043 30 20 DBED CCN(CCNC(=O)[C@H]1COCCO1)c1nccnc1C#N 1100479621 FVGUSGZRLMGAEL-GFCCVEGCSA-N 305.338 -0.294 30 20 DBED CCN(CCNC(=O)Cn1cncn1)c1cnc(C#N)cn1 1100528046 IEUPBTUVVNFTGH-UHFFFAOYSA-N 300.326 -0.418 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H]1CCN(c2ccc(C)nn2)C1 1100974089 ODCHIFZOARVJEL-ZDUSSCGKSA-N 315.377 -0.133 30 20 DBED N#Cc1cncc(N2CC[C@@H](CNC(=O)C3(C(N)=O)CC3)C2)n1 1101048854 RIWCXDBUDATJTF-JTQLQIEISA-N 314.349 -0.444 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)CNC(C)=O)c3nccn32)C1 1101604838 ZQVRRSQLGUEYAK-ZDUSSCGKSA-N 315.377 -0.386 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)CNC(=O)OC)c3nccn32)C1 1101609257 XYCDEWTULWJXJQ-LLVKDONJSA-N 317.349 -0.556 30 20 DBED CCc1nc(C#N)cc(N2CC[C@@H](N(C)C(=O)CC(N)=O)C2)n1 1102680540 ISILYRGEZFKGAU-LLVKDONJSA-N 316.365 -0.177 30 20 DBED CC[C@@H](CNC(=O)C1CS(=O)(=O)C1)Nc1cnc(C#N)cn1 1103199766 HCUOIDGCDNMBKP-JTQLQIEISA-N 323.378 -0.300 30 20 DBED C[C@H](CNC(=O)[C@@H]1CCC(=O)N1)CNc1ccc(C#N)nn1 1104034576 KCKJAOXTCDLUMP-ONGXEEELSA-N 302.338 -0.209 30 20 DBED CC(C)[C@@H](CNC(=O)Cn1ncnn1)Nc1cncc(C#N)n1 1105235254 XQMGPVHVQOMNPM-LLVKDONJSA-N 315.341 -0.412 30 20 DBED C#CCN[C@@H]1C[C@]2(C[C@H]1O)CN(C(=O)CC(=O)NC)[C@@H]2C(C)C 1105622803 IGEMJFQSWDZCFL-KFZJALRRSA-N 321.421 -0.278 30 20 DBED Cc1cc(C(=O)NC[C@H](O)CN=c2cc[nH]cc2C#N)n[nH]1 1105724910 ADOZSZQIDIWYLK-LLVKDONJSA-N 300.322 -0.391 30 20 DBED Cn1ccc(CC(=O)NC[C@@H](O)CNc2ccc(C#N)cn2)n1 1105818362 JXNKHKUUEAQGSQ-ZDUSSCGKSA-N 314.349 -0.182 30 20 DBED CO[C@@H](C(=O)NC[C@H](O)CN=c1cc(C)[nH]cc1C#N)C1CC1 1105833589 OGRKFBDZMOPCOQ-UKRRQHHQSA-N 318.377 -0.002 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H](O)CNc1cc(COC)ncn1 1105971265 WGRXYTNQTUWRPW-YPMHNXCESA-N 322.365 -0.450 30 20 DBED N#Cc1cnc(NC[C@@H](O)CNC(=O)CCn2ccnc2)cn1 1106039583 RPCQXEJXQCYKNT-GFCCVEGCSA-N 315.337 -0.476 30 20 DBED N#Cc1nc(=NC[C@H](O)CNC(=O)Cc2ccccc2)cc[nH]1 1106166549 RHARRCACXKCYKN-ZDUSSCGKSA-N 311.345 -0.098 30 20 DBED CCn1ncc(C(=O)NC/C=C/CN=c2cc[nH]c(C#N)n2)n1 1107150919 APMNHMRLWMJLAN-ONEGZZNKSA-N 312.337 -0.220 30 20 DBED N#CCN1CC(n2cc(CNC(=O)[C@]3(F)CCOC3)nn2)C1 1107200060 VUOQAGAGIBGOEP-ZDUSSCGKSA-N 308.317 -0.597 30 20 DBED C#CCCN1CC(n2cc(CNC(=O)[C@]3(F)CCOC3)nn2)C1 1107200079 WLUITWKTYZKSCA-HNNXBMFYSA-N 321.356 -0.097 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)c2ccn3nnnc3c2)C1 1108113748 UCAMOSKPGOHAGY-HNNXBMFYSA-N 314.349 -0.422 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H](C)CN=c1cc[nH]c(C(=O)OC)n1 1108530083 CCVKYOWKZQIFFF-WDEREUQCSA-N 320.349 -0.360 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1[C@H]2C[C@H]1N(c1ccc(C#N)nn1)C2 1109704262 PHWHNWGPCYYZSU-KANYHAFZSA-N 324.344 -0.819 30 20 DBED C[C@]1(CNC(=O)CC(N)=O)CCCN(c2ccc(C#N)nn2)C1 1110920018 MYDHULKMUXLMQG-OAHLLOKOSA-N 316.365 -0.054 30 20 DBED N#Cc1cncc(N2CC[C@](O)(CNC(=O)c3ccon3)C2)n1 1111052432 RCDFABJGKAABSZ-AWEZNQCLSA-N 314.305 -0.293 30 20 DBED C[C@@H]1C[C@@H](NC(=O)CC(N)=O)CCN1c1ccnc(C#N)n1 1112460655 XNXJOSGNHWVNFX-ZJUUUORDSA-N 302.338 -0.303 30 20 DBED COCCC(=O)NC[C@H]1CN(c2nc(C)cc(C#N)n2)C[C@@H]1O 1112689172 JMHMCPYOPWRFNK-AAEUAGOBSA-N 319.365 -0.394 30 20 DBED C[C@H](C#N)C(=O)N1CCN(CCN(C)S(C)(=O)=O)CC1 1112711145 RTVYKPRGHZSWDS-LLVKDONJSA-N 302.400 -0.818 30 20 DBED C#CCNC(=O)CC(=O)N1CCN(CC(=O)N(C)C(C)C)CC1 1112774398 VOOXYZQCRRLUMO-UHFFFAOYSA-N 322.409 -0.863 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)Cc2nnc(C)o2)CC1 1112818515 JDYSCOCSLVQCMB-LLVKDONJSA-N 319.365 -0.797 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)C(C)(C)N(C)CC)CC1 1113033012 VLISVOZKEIRKEC-AWEZNQCLSA-N 322.453 -0.001 30 20 DBED COCC#CCN1CCN(C(=O)Cn2nnnc2C(C)C)CC1 1113415139 LJDNPIOAGOAPCF-UHFFFAOYSA-N 320.397 -0.410 30 20 DBED CCCn1cc(C(=O)N2CCN(CC(=O)NCC#N)CC2)nn1 1113470479 VRDDWGAYYRKWEN-UHFFFAOYSA-N 319.369 -0.914 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)c3ccns3)[C@H]2C1 1114351763 QZDYDZKXSQHNCF-MEWQQHAOSA-N 318.402 -0.059 30 20 DBED N#Cc1cnc(N2C[C@@H]3C(CNC(=O)CC(N)=O)[C@H]3C2)c(F)c1 1114546393 BXEQSEHBOUQTGJ-GHMZBOCLSA-N 317.324 -0.234 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)NC1[C@@H]2CN(CC#N)C[C@@H]12 1115296030 JZXLZMOBMMNGHA-GHMZBOCLSA-N 305.382 -0.180 30 20 DBED C#CCOCCNC(=O)C(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1C 1117436017 BVCRMDFONLPWBV-OLZOCXBDSA-N 323.393 -0.342 30 20 DBED C[C@H](Cn1ccnc1)NC(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1118212088 XXIYTYWFDGHASH-RISCZKNCSA-N 305.338 -0.735 30 20 DBED C#CCN(C(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1)C(C)C 1119685463 AYVHDSCRGMUUOP-KBPBESRZSA-N 307.394 -0.164 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@H]1CC[C@@H](C(=O)OC)C1)[C@H]1CCCO1 1119864467 FKLWACZAUMYYJC-MROQNXINSA-N 322.361 -0.259 30 20 DBED N#Cc1c[nH]ccc1=N[C@H](CO)CNC(=O)c1cnns1 1121091371 ATCGXQMPXYVLQA-VIFPVBQESA-N 304.335 -0.571 30 20 DBED N#Cc1cnc(N[C@@H](CO)CNC(=O)c2ccc(O)nn2)cn1 1121178590 VHPXWJKCQAKSCD-SECBINFHSA-N 315.293 -0.953 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@@H](CO)Nc2cnc(C#N)cn2)c1 1121266458 VCXMTRVABVDDRI-NSHDSACASA-N 311.305 -0.249 30 20 DBED CCNC(=O)CC(=O)NC[C@@H](CO)Nc1ccc(C#N)c(C)n1 1121463050 DRXCDDHDTIAGOF-LBPRGKRZSA-N 319.365 -0.323 30 20 DBED Cn1ccc(CC(=O)NC[C@H](CO)N=c2cc[nH]cc2C#N)n1 1121481662 QZELVHBSHAJIMQ-CYBMUJFWSA-N 314.349 -0.760 30 20 DBED CCO[C@H](C(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1)C1CC1 1122118461 CNQRQESQIYXSIH-RISCZKNCSA-N 319.365 -0.526 30 20 DBED Cc1n[nH]cc1C(=O)NC[C@H](CO)Nc1cncc(C#N)n1 1122293927 RKBGKDIWTOKDCL-SNVBAGLBSA-N 301.310 -0.417 30 20 DBED CCN(C)CCC(=O)N(C)C[C@H](O)CNc1cnc(C#N)cn1 1124493316 QWJSWDQIZDSVLN-CYBMUJFWSA-N 320.397 -0.079 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)c1cc[nH]c1 1124808512 DPUQDWPIUFTPLL-NSHDSACASA-N 300.322 -0.357 30 20 DBED COCC#CCNCc1nnc2n1CC[C@@H](NC(C)=O)CC2 1127910709 UFBLRHXQUAKVBI-ZDUSSCGKSA-N 305.382 -0.142 30 20 DBED C#CCN1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H](C)NC(C)=O)C1 1130342543 LSQDFBBEDQSDKS-YPMHNXCESA-N 317.393 -0.027 30 20 DBED C=CCOCC(=O)N1C[C@@H](NCCCO)[C@H](c2cn(C)cn2)C1 1130542936 QPQKIJSVVBKEIJ-DZGCQCFKSA-N 322.409 -0.111 30 20 DBED CC1(C)CC[C@H](CC(=O)NCCNCC(=O)NCC#N)OC1 1131506158 OVUKESJSGJPKAO-GFCCVEGCSA-N 310.398 -0.073 30 20 DBED CNC(=O)NCCC(=O)N1C[C@H](C)O[C@]2(CCN(CC#N)C2)C1 1131657127 FKNOLLRLZAVCFM-WFASDCNBSA-N 323.397 -0.479 30 20 DBED COCC#CCNCCNC(=O)c1cnc2c(c1)ncn2C 1132275118 GGAQIOPGJRTKHA-UHFFFAOYSA-N 301.350 -0.063 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)CCc1cnn[nH]1 1134036554 CIUQCUUQKNFWRH-UHFFFAOYSA-N 320.397 -0.356 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)Cc1ncc[nH]1 1135766483 VRLQNPUSOKHVKT-JTQLQIEISA-N 322.369 -0.942 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)c2cn(C(C)C)nn2)C1=O 1135992704 MFDQLBKXIWSKBI-GFCCVEGCSA-N 320.397 -0.035 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1scc2c1OCCO2 1146535402 MGKNAZNAGYXPMS-UHFFFAOYSA-N 324.362 -0.522 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)CNC(=O)N2CCCC2)C1 1149699896 CEMFEXQZFMFKEW-AWEZNQCLSA-N 322.409 -0.368 30 20 DBED C=C(C)CN1CCCO[C@@H](CNC(=O)C[C@@H]2NC(=O)NC2=O)C1 1149854509 LHOKDOYORONKKT-RYUDHWBXSA-N 324.381 -0.632 30 20 DBED COCC#CCNCCNC(=O)Cn1c(C)c(C)sc1=O 1152404932 RVMGGWHEGRPOIN-UHFFFAOYSA-N 311.407 -0.118 30 20 DBED CCN(CC#CCOC)[C@H](C)CNC(=O)CN1CCCNC1=O 1154155225 LATOIKCPVFYVMU-CQSZACIVSA-N 324.425 -0.122 30 20 DBED C=CCNC(=O)NC(=O)CNCCCNC(=O)c1ccc[nH]1 1154563196 YAHYAGLUKNDXAD-UHFFFAOYSA-N 307.354 -0.264 30 20 DBED C#CCNC(=O)CC(=O)NCCCNCC(=O)N[C@@H](C)C(C)C 1156857145 FHYCMSDFARVBSI-ZDUSSCGKSA-N 324.425 -0.618 30 20 DBED C#CCOCCC(=O)NCCCNC[C@H]1CCS(=O)(=O)C1 1157846713 ZKYXGUNIIZNTRS-CYBMUJFWSA-N 316.423 -0.443 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)CO[C@H]1CCOC1 1157952308 AWAIFFLBNHOWAO-STQMWFEESA-N 313.398 -0.422 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)C[C@H]2CCNC2=O)C1=O 1159798672 CRIUKZGCHILBMY-OLZOCXBDSA-N 322.409 -0.605 30 20 DBED C#Cc1ccc(C(=O)NCCCN[C@@H](C)C(=O)NC(N)=O)cc1 1163748263 CLERZVUSSWIDRZ-NSHDSACASA-N 316.361 -0.039 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCC1(CN[C@@H](C)C(N)=O)CC1 1165545852 RVPOQSCNEOTDCX-KBPBESRZSA-N 320.437 -0.166 30 20 DBED C[C@@H](CCCCNCCN1C(=O)CNC1=O)NC(=O)[C@@H](C)C#N 1169830478 AFJDVEIZODLUKO-RYUDHWBXSA-N 323.397 -0.038 30 20 DBED N#CCN1CCO[C@@H]2CCN(C(=O)C(=O)NCC3CC3)C[C@@H]21 1177125077 NAHQNJRUOMFPOV-QWHCGFSZSA-N 306.366 -0.662 30 20 DBED C[C@@H](C(=O)NCCCNCC(=O)NCC#N)C1CCOCC1 1177591199 ICGHPYDZXAFYJF-GFCCVEGCSA-N 310.398 -0.215 30 20 DBED C[C@H]1[C@@H](NCCOCCO)CCN1C(=O)CSCC#N 1178148587 ZXVIODAJEPJQLY-RYUDHWBXSA-N 301.412 -0.169 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)[C@H](C)NC(=O)CC)[C@H]1C 1178758065 IEKLNYLTVDJVCY-AVGNSLFASA-N 322.409 -0.771 30 20 DBED C=C(C)CN[C@H]1CCN(C(=O)CNC(=O)Cn2cncn2)[C@H]1C 1180203891 AECVZBYKSFAOHX-STQMWFEESA-N 320.397 -0.451 30 20 DBED N#CCSCC(=O)N1CC[C@@H](N[C@@H]2CCC(=O)NC2=O)C1 1181106696 KUKYITWEIVMTMZ-NXEZZACHSA-N 310.379 -0.761 30 20 DBED C#CCCN[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(CCOC)C2)C1 1182965258 UMPAYWKPVSPEMU-UONOGXRCSA-N 307.394 -0.305 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)CCc2cncn2C)C1 1187509548 SQBZSZBMQOUSSB-CYBMUJFWSA-N 319.409 -0.155 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC[C@H]2CN(Cc3nnnn3C)C[C@H]21 1187754588 AJDDTSCBPVKIGH-YWPYICTPSA-N 320.397 -0.430 30 20 DBED C=CCCOCC(=O)N1CC[C@@H](N[C@H](C)C(=O)NC(N)=O)C1 1188301434 DBDOUNKDWBQYPI-GHMZBOCLSA-N 312.370 -0.647 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@H]1CCN(C(=O)C2=COCCO2)C1 1188725739 FAEHWMRETSBNOZ-OLZOCXBDSA-N 321.377 -0.455 30 20 DBED C=CCOCCN1C[C@@H]2CCN(C(=O)[C@H]3CNC(=O)N3)[C@@H]2C1 1188979945 YQMXTGNNNQSJLH-YNEHKIRRSA-N 308.382 -0.597 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2ccnnc2C)C1 1191161502 IWPLFVONRWLLGH-CYBMUJFWSA-N 315.377 -0.319 30 20 DBED N#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C23CCC(CC2)C3)C1 1194119344 TUYONMPDZSJRDN-LGESCRJUSA-N 320.393 -0.632 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)c2cnn(C)c2)CC1 1194779438 YPOCDQPTAGCOBC-UHFFFAOYSA-N 305.382 -0.130 30 20 DBED C=CCCC1(C(=O)N[C@@H]2CN(Cc3nnnn3C)C[C@H]2O)CC1 1195897010 KTVGOGWABYGLSE-VXGBXAGGSA-N 320.397 -0.382 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)CN(C)S(=O)(=O)CC)C1 1197381934 OOCRLYGUGXSWTE-VXGBXAGGSA-N 319.427 -0.995 30 20 DBED C#CCNC(=O)[C@H](C)NC1CCN(C(=O)c2ccnn2C)CC1 1199657976 GKGWBJZRWGFWPS-LBPRGKRZSA-N 317.393 -0.248 30 20 DBED Cn1cncc1CC(=O)N1CCC(NCC(=O)NCC#N)CC1 1203337853 WUBGVLLWOHXZOO-UHFFFAOYSA-N 318.381 -0.817 30 20 DBED CN(C)S(=O)(=O)CC(=O)N[C@@H]1C[C@@H](NCC#N)C12CCC2 1203671829 WCTWTRZIIKYKDB-GHMZBOCLSA-N 314.411 -0.582 30 20 DBED Cc1nonc1C(=O)N1CCC(NCC(=O)NCC#N)CC1 1204093049 YROLAZKRRVFXGL-UHFFFAOYSA-N 306.326 -0.788 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CN(Cc2nnc3n2CCOC3)C[C@H]1C 1206640649 IWCHXTKOUVGUIP-IJLUTSLNSA-N 318.381 -0.096 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)c2cnccn2)C1 1207107880 JLVCTCUJERDHLL-LBPRGKRZSA-N 303.366 -0.027 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)CC1=CCOCC1 1208506477 HOEKNJNSDZNOCE-TZMCWYRMSA-N 320.393 -0.201 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)c2cn(C)c(O)n2)C1 1209431092 FRMYZMSLDQWGQA-LLVKDONJSA-N 321.381 -0.378 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2C=C)C[C@H]1C 1215594690 RJHITVWPVDVMCX-TUVASFSCSA-N 319.405 -0.237 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)CCCC(N)=O)C[C@H]1C 1217022336 VEIGGYHEVKZMHC-VXGBXAGGSA-N 310.398 -0.619 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2ccoc2CC)C1 1219536450 QSZXNRCAJYDAGW-OLZOCXBDSA-N 319.361 -0.634 30 20 DBED C=C(C)CCC(=O)N[C@@H]1CN([C@H](C)C(=O)NC(N)=O)C[C@@H]1O 1219720623 TXRLHBUREIOTJU-MXWKQRLJSA-N 312.370 -0.913 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@H](OC)c2cnn(C)c2)C1 1220082327 QJVCHWNGOVKAQR-HZSPNIEDSA-N 306.366 -0.708 30 20 DBED C[C@@H](NC(=O)CC(C)(C)C)C(=O)N[C@@H]1CN(CC#N)C[C@@H]1O 1220735479 CELVPDFAJVGCDG-UTUOFQBUSA-N 310.398 -0.388 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)CCCc2nc(C)no2)C1 1220973456 LIVPGRRLGWEABH-OLZOCXBDSA-N 306.366 -0.115 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)Cc2ccc[nH]2)C1 1221022978 WBQRJODNNHFXJI-BNOWGMLFSA-N 320.393 -0.591 30 20 DBED C#CCOCCC(=O)N1C[C@H]2CCN(CC(=O)N3CCC3)C[C@H]21 1221545160 ZBRMPKJHVUXNFY-HUUCEWRRSA-N 319.405 -0.209 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCC[C@H](NCC(=O)NC(N)=O)C1 1222068487 VHMUSHISRYDQRQ-QWRGUYRKSA-N 312.370 -0.647 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC(NC(=O)c2ncc[nH]2)CC1 1227232650 HNOIWAUUXIRGDW-NSHDSACASA-N 303.366 -0.258 30 20 DBED C#CCN1CCS(=O)(=O)[C@@H](CCNC(=O)[C@H](C)OCC)C1 1230425268 HHLQGMKFYHRHMN-STQMWFEESA-N 316.423 -0.350 30 20 DBED C#CCOCCC(=O)N(C)C[C@@H]1CCN1Cc1cn(C)nn1 1234246331 MANHABAAIWCPMJ-AWEZNQCLSA-N 305.382 -0.112 30 20 DBED C#CCOCCC(=O)N(C)C[C@H]1CCN1[C@@H]1CCCNC1=O 1234264843 DPIYTOKLOUIEBB-ZIAGYGMSSA-N 307.394 -0.162 30 20 DBED N#CCCn1ccc(NC(=O)C(=O)NCCN2CCOCC2)n1 1252775193 CREIHXJTELNIAK-UHFFFAOYSA-N 320.353 -0.816 30 20 DBED Cc1noc([C@@H](C)N(C)C(=O)C(=O)N2CCO[C@@H](C#N)C2)n1 1261557371 CZPINPVZSYWKPT-SCZZXKLOSA-N 307.310 -0.352 30 20 DBED CC(C)N1CC[C@H](NC(=O)C(=O)Nc2cnn(CC#N)c2)C1=O 1319440776 CRKOOZAVVVQXIK-NSHDSACASA-N 318.337 -0.529 30 20 DBED C=CCN1CCC(NC(=O)C(=O)N2CCN(C)C(=O)[C@H]2C)CC1 1322607298 MYAUHVWPDOCSOY-GFCCVEGCSA-N 322.409 -0.558 30 20 DBED C#CCOCCNC(=O)C(=O)NC[C@H]1CCN(CC(C)C)C1 1323699233 QYFMAJCQQNLDBI-CQSZACIVSA-N 309.410 -0.154 30 20 DBED C#CCC[C@H](O)CNC(=O)NC[C@H]1CCCS(=O)(=O)C1 1323886384 UUIQKHABURVFDS-NEPJUHHUSA-N 302.396 -0.115 30 20 DBED CCCN1CCCN(C(=O)C(=O)N2CCO[C@@H](C#N)C2)CC1=O 1325393006 AOLKTUJYYUGAGN-LBPRGKRZSA-N 322.365 -0.792 30 20 DBED C=CCOCCNC(=O)C(=O)NCCNc1ccc(C#N)cn1 1327819301 VFIYGFAPUQLFJI-UHFFFAOYSA-N 317.349 -0.200 30 20 DBED COCCN1CCN(C(=O)C(=O)N2CC[C@@](F)(C#N)C2)CC1 1331169731 WXFNUKTXQFFYFS-CQSZACIVSA-N 312.345 -0.759 30 20 DBED C#CCN1CCC[C@H]1c1nnc(N2CC[C@@H](C(N)=O)C2)n1C 1339718169 YWAUUUPTNFZOKK-NEPJUHHUSA-N 302.382 -0.103 30 20 DBED C#CCN(C)c1nnc(CS(C)(=O)=O)n1C[C@@H]1CCOC1 1345398313 KSWXZRRQFWTDDA-NSHDSACASA-N 312.395 -0.071 30 20 DBED CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)C(=O)N[C@@H]1CC[C@H](C#N)C1 1349033115 ZAEGZPUKEZPKDQ-QCNOEVLYSA-N 306.366 -0.174 30 20 DBED O=C(C#CC1CCNCC1)N1CC[C@@H]2CS(=O)(=O)C[C@H]2C1 1349621140 OSQZSXWWKPMFIP-ZIAGYGMSSA-N 310.419 -0.118 30 20 DBED C=CCn1c(C[C@@H](C)O)nnc1N1CCS(=O)(=O)CC1 1351704750 OBTPSYJJDGBCJP-SNVBAGLBSA-N 300.384 -0.378 30 20 DBED C=C(C)Cn1c(-c2cn(CCO)nn2)nnc1N1CCOCC1 1355936006 NVVBJEDSHMDKEZ-UHFFFAOYSA-N 319.369 -0.058 30 20 DBED CC1(C)CN(C(=O)Cn2cc(C#N)c(O)nc2=O)CC[C@@H]1O 1362354961 POYDFCVLYZTJIF-JTQLQIEISA-N 306.322 -0.560 30 20 DBED CC(C)[C@H]1CN(C(=O)Cn2cc(C#N)c(O)nc2=O)CCN1 1363291296 ZCQMQLLFODDDJX-LLVKDONJSA-N 305.338 -0.723 30 20 DBED CCCn1nccc1NC(=O)Cn1c(=O)[nH]cc(C#N)c1=O 1365258503 CTHWLBBEKKUJQM-UHFFFAOYSA-N 302.294 -0.347 30 20 DBED C=C(Cl)CN1CC(CNC(=O)CNS(=O)(=O)CC)C1 1366969593 ZQBCYLNIHTZKRA-UHFFFAOYSA-N 309.819 -0.274 30 20 DBED CNC(=O)NC(=O)CN[C@H](C)CN(C)C(=O)c1cc(C#N)c[nH]1 1379097841 XXVMWKXHGSVINL-SECBINFHSA-N 320.353 -0.608 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCN(C)C(=O)c1c[nH]c(C(N)=O)c1 1388996913 JNNIQYGAVBGDRW-VIFPVBQESA-N 305.338 -0.196 30 20 DBED C=C(Cl)CN1CC[C@@H](NC(=O)CCNS(C)(=O)=O)C1 1389460023 UCOMXMZSTGHIPG-SNVBAGLBSA-N 309.819 -0.131 30 20 DBED C[C@H](C#N)C(=O)N(C)CCN1CCN(Cc2cnnn2C)CC1 1391338366 QLJSMMJSEKQMKZ-CYBMUJFWSA-N 319.413 -0.449 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)Cn2ccccc2=O)CC1 1393632950 OONASCUNLFFUHP-LLVKDONJSA-N 302.334 -0.227 30 20 DBED Cc1cc(C(=O)N2CCN(CCNC(=O)[C@@H](C)C#N)CC2)n[nH]1 1396890953 WNIOUZZCNDVGQQ-NSHDSACASA-N 318.381 -0.248 30 20 DBED C[C@H](CNC(=O)[C@H]1CN(C)CCO1)NC(=O)c1cc(C#N)c[nH]1 1397405285 XTNTZPWTYBVWRO-ZWNOBZJWSA-N 319.365 -0.549 30 20 DBED CCN(C)C(=O)CNC(=O)N1CCC(C#N)(C(=O)OC)CC1 1413812139 DFXIAQKMBPCWBV-UHFFFAOYSA-N 310.354 -0.047 30 20 DBED C[C@@H](C#N)C(=O)NC1CCN(C(=O)[C@H](C)S(C)(=O)=O)CC1 1414673657 QUQKJVGLNUHVEC-UWVGGRQHSA-N 315.395 -0.314 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC(NC(=O)CCn3cncn3)C2)c1 1415976249 WZWXCIWHRHOQHP-UHFFFAOYSA-N 313.321 -0.491 30 20 DBED CCCN(CCNC(=O)[C@H](C)C#N)C(=O)c1cn(C)c(=O)n1C 1431830989 AXXGUFQSBGOPNM-LLVKDONJSA-N 321.381 -0.148 30 20 DBED CC(C)c1ncncc1C(=O)NC[C@H](O)CNC(=O)[C@@H](C)C#N 1433301546 XVKXOQXMNGTHBN-WDEREUQCSA-N 319.365 -0.033 30 20 DBED CC[C@@H](C)[C@@H](O)CNC(=O)CCn1cc(C#N)c(O)nc1=O 1433794356 NXLXPULLCDLBFT-KOLCDFICSA-N 308.338 -0.266 30 20 DBED C=CCN[C@@H](C)CCNC(=O)C1(n2cnnn2)CCOCC1 1492096423 FBSWHLLXHHOORV-LBPRGKRZSA-N 308.386 -0.151 30 20 DBED C#CCNC(=O)CN[C@@H](C)CCNC(=O)Cn1cncc1C 1503359155 GKTZRDBNNMOWFK-LBPRGKRZSA-N 305.382 -0.575 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CCN(C(=O)c2c[nH]c(C(N)=O)c2)C1 1523106025 NZVBTYJJKKCHJY-ONGXEEELSA-N 317.349 -0.054 30 20 DBED Cc1cc(C)n(CC(=O)NC[C@@H](O)CNC(=O)[C@H](C)C#N)n1 1533297839 CNZWEMXTDOUAAS-BXKDBHETSA-N 307.354 -0.747 30 20 DBED N#Cc1nc(NCCN2CCC(O)CC2)cnc1-c1nn[nH]n1 1570919442 USVIZEWSYLJCBQ-UHFFFAOYSA-N 315.341 -0.603 30 20 DBED CCN(CCC#N)S(=O)(=O)N[C@@H]1CN(C(=O)O)C[C@H]1CO 1573770869 CRZQTZHMEBLWAQ-VHSXEESVSA-N 320.371 -0.973 30 20 DBED N#Cc1ccc(O[C@@H]2CCN(S(=O)(=O)CC3CNC3)C2)nc1 1580071303 DCWQACAULGITTL-CYBMUJFWSA-N 322.390 -0.044 30 20 DBED C#CCN(CC(=O)O)C(=O)c1csc(S(N)(=O)=O)c1 1588418469 HNNDIIYMDMCUCB-UHFFFAOYSA-N 302.333 -0.445 30 20 DBED C#CCN1CCN(C(=O)CN2CC[C@@](COC)(C(=O)O)C2)CC1 1588430520 MUEAQXWZVXAKEQ-MRXNPFEDSA-N 323.393 -0.813 30 20 DBED C#CCOCCC(=O)N[C@H]1C[C@H](NC(=O)[C@H]2C[C@@H]2C(=O)O)C1 1588489496 BIZRUCANDWZJQR-BJDJZHNGSA-N 308.334 -0.490 30 20 DBED C#CCN1CCC[C@@H](NC(=O)N2C[C@H](C)O[C@H](C(=O)O)C2)C1 1602720995 PRMDFGPIJWBXBF-XQQFMLRXSA-N 309.366 -0.033 30 20 DBED N#CCCNC(=O)C(=O)N1CCc2ccc(-c3nn[nH]n3)cc21 1606349632 SRMPJUUMCAKDJE-UHFFFAOYSA-N 311.305 -0.214 30 20 DBED N#Cc1cccc(-c2nn[nH]n2)c1N1CC[C@@H](S(N)(=O)=O)C1 1609499558 XCYNMQAWTIEPDF-SECBINFHSA-N 319.350 -0.394 30 20 DBED N#Cc1cc(CN2CCOCC2)cn(CCn2cncn2)c1=O 1647274396 PBFXBMYLORZJHB-UHFFFAOYSA-N 314.349 -0.156 30 20 DBED C[C@](O)(CC(=O)NC[C@H]1CCCN1CC(=O)NCC#N)C1CC1 1753101885 ZNEHGPKMPASFEE-CJNGLKHVSA-N 322.409 -0.242 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@H]1CN(C(=O)[C@@H]1CCCOC1)C2 1753303845 KQOHMTRCHAWVGZ-ILXRZTDVSA-N 319.405 -0.162 30 20 DBED C#CCNC(=O)CN1CC(NC(=O)[C@@](C)(C=C)CCOC)C1 1753382302 OIKBBVNOQOGKHE-INIZCTEOSA-N 307.394 -0.235 30 20 DBED C#Cc1cncc(C(=O)N(C)CCN(C)[C@@H]2CCNC2=O)c1 1753863370 VFQWPPALILKYBE-CQSZACIVSA-N 300.362 -0.045 30 20 DBED C=CCOCCN(C)C[C@@H](C)NC(=O)c1cn(C)c(=O)n1C 1754337729 ZICXTHVMSDMHGX-GFCCVEGCSA-N 310.398 -0.024 30 20 DBED C#CCNC(=O)[C@H](C)N1CC(N(C)C(=O)C[C@@H]2CCN(C)C2)C1 1754584712 MBACOFQNXAXLHC-KBPBESRZSA-N 320.437 -0.391 30 20 DBED C[C@H](CN1CCOCC1)C(=O)NCC1(NCC#N)CCOCC1 1754742412 FLGPSCHOLMLWOG-CQSZACIVSA-N 324.425 -0.267 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)CN2CCN(C)C(=O)C2)C[C@@H]1C 1754818972 LVEWYVSKNDPHBM-LSDHHAIUSA-N 320.437 -0.532 30 20 DBED COCC#CCNCC1CC(NC(=O)C(=O)NCC(F)F)C1 1755213614 NLCJRGYQIIFVTQ-UHFFFAOYSA-N 317.336 -0.498 30 20 DBED C=CCOCCN1C[C@H]2C(CNC(=O)Cn3cnnn3)[C@@H]2C1 1755433871 REWPMDSECZSGBJ-STQMWFEESA-N 306.370 -0.830 30 20 DBED C=CCNC[C@H]1CC2(CCN(C(=O)c3nnn(C)n3)CC2)CO1 1755463074 FXBRNCIXDNFJHU-GFCCVEGCSA-N 320.397 -0.003 30 20 DBED C#CCNC(=O)CN[C@@H](C)CN(C)C(=O)c1nccc(C)n1 1755585092 JZOJEWDMAGOQSR-LBPRGKRZSA-N 303.366 -0.415 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H](O)CN(C)C(=O)[C@@H](C)CC 1756654224 TVDHJBZKFNVCAG-NWDGAFQWSA-N 311.382 -0.893 30 20 DBED CC(C)C#CC(=O)N(C)C1CC(NC(=O)[C@@H]2CNC(=O)N2)C1 1756740095 TVGLVBFLJBSZMZ-MCIGGMRASA-N 306.366 -0.567 30 20 DBED C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)NC=O)C1 1780726738 DJODPXORYUZAJL-WOSRLPQWSA-N 321.377 -0.732 30 20 DBED C#CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CNC(C)=O)CC2 1825024013 BSEHTBUXBKTKFN-VIFPVBQESA-N 320.374 -0.176 30 20 DBED C#CC(=O)N1CC2(CCCN2C(=O)[C@@H](N)Cc2cscn2)C1 1843329794 FJJAOMOLAYTINZ-LBPRGKRZSA-N 318.402 -0.151 30 20 DBED CC(=O)N(C)C1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC1 143369167 ZDIASXORVHJOHN-UHFFFAOYSA-N 319.365 -0.597 30 20 DBED C=CCNC(=O)CNC(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O 180693007 YUTDTQRQFLSSIL-MRVPVSSYSA-N 322.287 -0.249 30 20 DBED C=CCNC(=O)CNC(=O)Cc1ccc(-n2cnnn2)cc1 181724570 OOPOFRFJUMSDDQ-UHFFFAOYSA-N 300.322 -0.377 30 20 DBED N/C(=N\CC1(OCCO)CCOCC1)N1CCSCC1 261785619 UISAHIQSHWHFGV-UHFFFAOYSA-N 303.428 -0.092 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(CCC2OCCCO2)c1=O 267132292 HSZMGVDNTHJVPB-UHFFFAOYSA-N 323.349 -0.303 30 20 DBED CN1C[C@@H](NC(=O)C(=O)Nc2ccc(F)c(C#N)c2)CC1=O 267311563 DESIWMHXPLJKII-JTQLQIEISA-N 304.281 -0.017 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 278885850 OGCJRVIFENCAAE-OAHLLOKOSA-N 309.366 -0.737 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCCO[C@H](CC)C2)C1=O 281610167 WRMLCDRDKJMKLK-LLVKDONJSA-N 323.349 -0.009 30 20 DBED C[C@H](C#N)NC(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1 330622449 NUYSFPVGUSYXIR-OLZOCXBDSA-N 308.382 -0.272 30 20 DBED CC[C@H](N/C(O)=N/[C@H](C)C[S@](C)=O)C(=O)N1CCOCC1 330823935 GVOTWBOLAPGDBM-NNOLRYQLSA-N 319.427 -0.106 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N1CCN(C(=O)C2CC2)C1 333852948 NYNTUNZXHBDANY-SNVBAGLBSA-N 300.384 -0.166 30 20 DBED C[C@H](O)C[C@H]1CCCN1C(=O)C(=O)Nc1ccn(CCC#N)n1 337546153 ONRSKGXQKQECNG-NWDGAFQWSA-N 319.365 0.497 30 20 DBED C=CCOC[C@@H](NC(=O)c1cc(O)nc(N(C)C)n1)C(=O)OC 338915181 NWDDEAMTXFBHIL-SNVBAGLBSA-N 324.337 -0.278 30 20 DBED C=CCN(CCOC)C(=O)C(=O)NCCCN1CCOCC1 339489426 SWLYUFZLEVUDTE-UHFFFAOYSA-N 313.398 -0.514 30 20 DBED CCOCCS(=O)(=O)NCC(=O)N[C@H](C#N)C(C)(C)C 343730140 RLTZFHKBBAZWSA-SNVBAGLBSA-N 305.400 -0.003 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2C[C@H]2C(F)F)C1=O 345799931 IZJWDEWTOXYGJA-RNFRBKRXSA-N 301.249 -0.267 30 20 DBED C[C@H]1CN(S(=O)(=O)c2ccc(C#N)nc2)C[C@H](C(N)=O)O1 347824807 LYWNGDXFIBSZQW-GZMMTYOYSA-N 310.335 -0.783 30 20 DBED COC(=O)[C@H]1CN(C(=O)C(=O)Nc2cccc(C#N)c2)CCO1 348559126 FBNPGTPCUWCMPS-GFCCVEGCSA-N 317.301 -0.103 30 20 DBED N#Cc1cncc(S(=O)(=O)NCc2cc(C(N)=O)no2)c1 352076376 XFGPHLWOBVYTQK-UHFFFAOYSA-N 307.291 -0.481 30 20 DBED COC(=O)c1cc(C#N)c(=O)n(CCCC(=O)NC(N)=O)c1 357037710 LGOMZQXSAWTOAD-UHFFFAOYSA-N 306.278 -0.518 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@]2(C)CCCOC2)C1=O 357511848 LGKHDZIBBXDBCX-AWEZNQCLSA-N 309.322 -0.352 30 20 DBED CCO[C@@H]1C[C@](CO)(NC(=O)NCC(=O)NCC#N)C1(C)C 358303531 XYOLYUMQAWUOSG-QMTHXVAHSA-N 312.370 -0.509 30 20 DBED CCC(O)(CC)CNC(=O)C(=O)Nc1ccn(CCC#N)n1 444504592 AINOYDPBWFFPPI-UHFFFAOYSA-N 307.354 0.403 30 20 DBED CN(C)S(=O)(=O)NCCNC(=O)c1cccc(F)c1C#N 457791683 HFCNYKMCBKHAON-UHFFFAOYSA-N 314.342 -0.177 30 20 DBED C#CCNS(=O)(=O)c1ccc(C(=O)O[C@H]2CNOC2)cc1 491071285 JGCBCWJGPWHJDE-NSHDSACASA-N 310.331 -0.342 30 20 DBED C#CCN1CCC(C(=O)N2CCN(C)C[C@H](C(=O)OC)C2)CC1 491811397 CUBYJHDIZOPERA-HNNXBMFYSA-N 321.421 -0.105 30 20 DBED N#CC1(CS(=O)(=O)N[C@@H](CC(N)=O)C(=O)O)CCCCC1 548528561 HAECTFDNRNZYGB-VIFPVBQESA-N 317.367 -0.292 30 20 DBED N#Cc1cc(F)ccc1CS(=O)(=O)N1C[C@@H](O)[C@@H](CO)C1 573386803 PKMJHUCOPRFYIP-DGCLKSJQSA-N 314.338 -0.188 30 20 DBED CN1CCO[C@@H](C(=O)N2CCN(c3cnccc3C#N)CC2)C1 573589562 IHSOFERIXCSJDB-OAHLLOKOSA-N 315.377 -0.068 30 20 DBED COCCn1cc(N2C[C@@H](C(=O)N3CC(C#N)C3)CC2=O)cn1 590766218 MNFRSEBXIDDEPV-LBPRGKRZSA-N 317.349 -0.136 30 20 DBED CN1CCN(c2cc(N3CC[C@@](O)(CC#N)C3)ncn2)CC1=O 591975713 QXHCVPAGLPDEDU-HNNXBMFYSA-N 316.365 -0.390 30 20 DBED COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)Cc2noc(C)c2C#N)C1 592935740 IRMQAVIKMIGCQC-NXEZZACHSA-N 307.306 -0.220 30 20 DBED CN(CCS(=O)(=O)c1ccc(C#N)cn1)Cc1cn(C)nn1 595759161 QCHRKGCCUOUJJM-UHFFFAOYSA-N 320.378 -0.013 30 20 DBED CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H](C#N)CO 597745561 DLSKOWWQHOPLAP-IUCAKERBSA-N 310.314 -0.172 30 20 DBED N#CCCN1CCN(C(=O)C(=O)N2CC[C@@H]3CCN[C@H]3C2)CC1 601580712 DGNLWOKARDPHJO-KBPBESRZSA-N 319.409 -0.745 30 20 DBED CN(C)S(=O)(=O)CCC(=O)N1CCN(CCC#N)CC1 602206687 SNLSIEPGTXWFNL-UHFFFAOYSA-N 302.400 -0.674 30 20 DBED N#Cc1ncn(CC(=O)N2CCN(c3nccs3)CC2)n1 610879857 GSMAETBFFFVMJQ-UHFFFAOYSA-N 303.351 -0.045 30 20 DBED CC#CC[C@@H](CO)NC(=O)N[C@H]1CCN(C2CCOCC2)C1=O 645341805 GEKBSWAZLQHFHZ-JSGCOSHPSA-N 323.393 -0.160 30 20 DBED C#CC[C@H](CO)NC(=O)CSCC(=O)N1CCOCC1 717770775 RAWRWFJFGLIAHZ-LLVKDONJSA-N 300.380 -0.921 30 20 DBED CN(CC(=O)N(CC#N)CC(=O)O)c1ncnc2[nH]cnc12 737385361 BDEPVDWKKQRNNA-UHFFFAOYSA-N 303.282 -0.774 30 20 DBED CN1CCN(C)[C@@H](CNc2cccc(S(N)(=O)=O)c2C#N)C1 755003870 HUKWNSRRWUQTKZ-NSHDSACASA-N 323.422 -0.137 30 20 DBED C#CCNS(=O)(=O)N1CCN(CC(=O)OCC(C)C)CC1 776595943 USXDIDCTEDPVJY-UHFFFAOYSA-N 317.411 -0.729 30 20 DBED C#C[C@H](C)NC(=O)C(=O)Nc1ccc(CC)c(S(N)(=O)=O)c1 784850340 SJCPADIZIHADGS-VIFPVBQESA-N 323.374 -0.027 30 20 DBED C#CCCCNC(=O)C(=O)NC[C@@H](C)CN1CCN(CC)CC1 790189366 HLPVBESZJQVHJV-OAHLLOKOSA-N 322.453 -0.094 30 20 DBED COCCN(CCC#N)S(=O)(=O)NCCc1ccnn1C 800108896 HNSKAHMPSNMIMD-UHFFFAOYSA-N 315.399 -0.341 30 20 DBED C=CCNC(=O)[C@H](C)OC(=O)CCC[C@]1(C)NC(=O)NC1=O 801433420 JQVONQUBGXCEBD-XPTSAGLGSA-N 311.338 -0.011 30 20 DBED C#CCCCS(=O)(=O)NC[C@@H]1CCC[C@@]12NC(=O)NC2=O 805022044 HBZCASRJFXZPLG-GXFFZTMASA-N 313.379 -0.303 30 20 DBED O=C1C[C@H](C(F)(F)F)[C@@H](C(=O)N[C@@H]2CCCN(O)C2=O)CN1 823160595 HRTFHHAFHVGAGE-BIIVOSGPSA-N 323.271 -0.203 30 20 DBED CN(C)CC#CCNC(=O)CN(C)c1ncnc2[nH]cnc12 913517148 VCNLMIIZMWINRV-UHFFFAOYSA-N 301.354 -0.530 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1CCN(C(=O)CC(N)=O)C1 936964686 AMPDRKMNKDGZAW-HUBLWGQQSA-N 323.393 -0.098 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)[C@@H]3COC(=O)N3)C2)[nH]1 937845457 XZIUJGGPPKOHPE-ONGXEEELSA-N 317.305 -0.675 30 20 DBED C#CCN1CC[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)[C@H](C)C1 944491518 LKPQOXGTJMZCOP-DGCLKSJQSA-N 305.382 -0.650 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2CN(C(=O)COC)CCO2)nn1 944598840 IZYWRQNNWKFBFR-LLVKDONJSA-N 323.353 -0.932 30 20 DBED C[C@H](C#N)C(=O)N1CCC(NC(=O)CN2C(=O)CCC2=O)CC1 948102829 VPIZXSCFPVQSAI-SNVBAGLBSA-N 320.349 -0.598 30 20 DBED C#Cc1cncc(C(=O)N2CC[C@H]2CNC(=O)c2cnn(C)n2)c1 951093810 DANQJLSLAGNMTF-ZDUSSCGKSA-N 324.344 -0.164 30 20 DBED COc1cc(C(=O)NC[C@@H]2CCN2C(=O)[C@H](C)C#N)nn1C 951318059 GQBOTTIHWQFWFK-ZJUUUORDSA-N 305.338 -0.081 30 20 DBED CC(=O)N1CC(C(=O)N[C@@H]2CCCN(C(=O)[C@H](C)C#N)C2)C1 951868515 UFTIXWYHAWPPIJ-ZWNOBZJWSA-N 306.366 -0.268 30 20 DBED C[C@H](C#N)C(=O)N1CCC(C)(NC(=O)[C@@H]2CNC(=O)N2)CC1 956473130 NSJOISJXKIJRBL-ZJUUUORDSA-N 307.354 -0.675 30 20 DBED C#CCCN1C[C@@H](O)[C@@H](CNC(=O)c2ccc(=O)n(CC)n2)C1 958494326 OEQGLZMFTZHYFL-GXTWGEPZSA-N 318.377 -0.691 30 20 DBED CCc1cnc(O)c(C(=O)NC[C@@H]2CN(CC#N)C[C@@H]2O)c1 958549293 WFUGDSYFHOFDOK-YPMHNXCESA-N 304.350 -0.104 30 20 DBED C=CCOc1cccnc1C(=O)NC[C@H]1CN(CCO)C[C@H]1O 958577593 LBLJOUNWLOUFQS-QWHCGFSZSA-N 321.377 -0.339 30 20 DBED C=CCOc1cccnc1C(=O)NC1[C@H]2CN(CC(N)=O)C[C@H]12 962259165 GRYLSRBHMTXSBS-QWRGUYRKSA-N 316.361 -0.208 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)c1cncn1C 964241021 GUGYDUGFCXVVIT-MNOVXSKESA-N 305.338 -0.463 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC2(CN(C(=O)c3cnon3)C2)C1 965472836 MOXBALLTMYFAAB-VIFPVBQESA-N 305.294 -0.717 30 20 DBED Cc1ncc(CC(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)o1 966208747 MDTIPUXQBCZXCF-FXAINCCUSA-N 306.322 -0.627 30 20 DBED C#CCCN1CC[C@H](C)[C@@H](NC(=O)CN2CCNC(=O)C2)C1 967727850 XLZSSQZFEJEPSZ-KBPBESRZSA-N 306.410 -0.732 30 20 DBED Cc1c[nH]c(CC(N)=O)c1C(=O)N[C@H](C)C1CN(CC#N)C1 970459147 IXTJDGQIIFCJNC-SNVBAGLBSA-N 303.366 -0.075 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)Cn2cnnn2)C1 973858823 ARTRZTZKJZDVPF-KXNHARMFSA-N 320.353 -0.972 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)[C@@H]3CCC(=O)NC3)[C@H]2C1 976795809 AKPXQBQPDXGSJR-YFVNTRNASA-N 304.350 -0.755 30 20 DBED Cn1cnn(CC(=O)N[C@@H]2CC[C@H]3CN(CC#N)C[C@@H]3C2)c1=O 980080164 AZOPKIBJRBPODX-RWMBFGLXSA-N 318.381 -0.678 30 20 DBED C=CCCN1CCCN(C(=O)CN2CCN(C)C(=O)C2)CC1 981494155 FGJGGDRCBAKWPC-UHFFFAOYSA-N 308.426 -0.129 30 20 DBED N#Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)CC(N)=O)C2)[nH]1 982560439 ZTUWKPZHTHACEB-VIFPVBQESA-N 303.322 -0.660 30 20 DBED CC[C@@H]1[C@@H](NC(=O)CN2CCOCC2)CCN1C(=O)[C@H](C)C#N 984786799 IEXHELCMADPCCT-HZSPNIEDSA-N 322.409 -0.026 30 20 DBED C[C@H]1C[C@H](NCCN2C(=O)CNC2=O)CN1C(=O)C#CC1CC1 988812321 MLPZHYSPOVHOKR-AAEUAGOBSA-N 318.377 -0.469 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@H](NC(=O)c2cnon2)[C@@H](O)C1 991703930 JUYOGJYIAHBGDX-ONGXEEELSA-N 308.338 -0.027 30 20 DBED C[C@H](C(=O)N1C[C@@H](NCC#N)C(C)(C)C1)N1C(=O)CCC1=O 995870483 CPAMPYCNTOIRSD-GHMZBOCLSA-N 306.366 -0.126 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)c3cnn(CC)n3)C2)cn1 997090417 PJYHMXCVQJWLDW-UHFFFAOYSA-N 324.344 -0.071 30 20 DBED CCN1CCO[C@@H](C(=O)NCC2CN(C(=O)[C@@H](C)C#N)C2)C1 1002285032 ALKYKZPBZCYVRZ-WCQYABFASA-N 308.382 -0.559 30 20 DBED O=C1CC[C@H](C(=O)NCC2CN(C(=O)C#CC3CC3)C2)CCN1 1003349782 PUEDEJBCLMLMHQ-AWEZNQCLSA-N 317.389 -0.109 30 20 DBED C=C[C@](C)(CC)C(=O)N1CCN(C(=O)Cn2ncnn2)CC1 1011176672 PQRYJINOKCAWFC-CQSZACIVSA-N 306.370 -0.054 30 20 DBED C=CCCN1CC[C@@H](NC(=O)CN2CCS(=O)(=O)CC2)C1 1016240915 WMHHMVROXZKZOH-CYBMUJFWSA-N 315.439 -0.517 30 20 DBED Cc1c(C(=O)N2CC[C@H]3CN(C(=O)[C@H](C)C#N)C[C@H]32)nnn1C 1021282272 BYLZGRPKBZKTSL-ADEWGFFLSA-N 316.365 -0.044 30 20 DBED C#CCN[C@H]1C[C@@H](NC(=O)Cn2nnc(-c3ccco3)n2)C1 1022347251 QIXKAZJEGQAOBE-PHIMTYICSA-N 300.322 -0.197 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2ccnn2C)C1 1023538317 CUBLMHIHRPQMQW-CHWSQXEVSA-N 320.393 -0.137 30 20 DBED CS(=O)(=O)CCN1CC[C@@H](CNC(=O)c2c[nH]c(C#N)c2)C1 1028488961 NWHPFWNJXHRIOF-NSHDSACASA-N 324.406 -0.017 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)CN3CC[C@H](C)C3)C2)C1=O 1030960506 UFDONGGATJXRDM-DZGCQCFKSA-N 320.437 -0.085 30 20 DBED COCCn1cc(C(=O)N2C[C@@H]3C[C@H]2CN3CC#N)ccc1=O 1032496431 YNBGUAOLJFDARD-KBPBESRZSA-N 316.361 -0.083 30 20 DBED C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3[C@@H]2CCNC2=O)nc1 1032738359 YLEBILXCMWWYID-KCQAQPDRSA-N 310.357 -0.150 30 20 DBED CC[C@@H]1CN(C(=O)Cn2c(O)nnc2O)CC[C@H]1NCC#N 1037970447 SVRUVSTYSIGFCS-NXEZZACHSA-N 308.342 -0.570 30 20 DBED C#CCOCCC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2CCOC2)C1 1039719635 YKNFQVYWHSZYQA-CJNGLKHVSA-N 324.377 -0.858 30 20 DBED C=CCCC(=O)N1CC[C@@](O)(CNC(=O)[C@H]2CCCNC2=O)C1 1040125304 XLIYQGPUJCEVAM-BLLLJJGKSA-N 323.393 -0.442 30 20 DBED C=CCO[C@H](C)C(=O)NC[C@]1(O)CCN(C(=O)c2cnn[nH]2)C1 1040162811 COQUUWIBPJSRHP-QMTHXVAHSA-N 323.353 -0.911 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)CCCCN(C)C)C1 1040429698 IVHSUCWAHBYSMV-XJKSGUPXSA-N 324.425 -0.042 30 20 DBED CCn1cc(C(=O)NC[C@]2(O)CCN(C(=O)[C@@H](C)C#N)C2)nn1 1040772472 MEXYUIDCJCHVHS-IINYFYTJSA-N 320.353 -0.849 30 20 DBED N#Cc1nccc(N2C[C@@H](O)[C@H](NC(=O)c3cnsn3)C2)n1 1040939141 MEXOLLQWQFYJFT-RKDXNWHRSA-N 317.334 -0.821 30 20 DBED Cc1c[nH]c(C(=O)N[C@@H]2CN(c3ccncc3C#N)C[C@H]2O)n1 1041376978 CNGCVYVAOYUAFT-DGCLKSJQSA-N 312.333 -0.036 30 20 DBED COCCCC(=O)N1CC(O)(CNC(=O)c2cc(C#N)c[nH]2)C1 1042401567 OLRUXQUKKLENKX-UHFFFAOYSA-N 320.349 -0.384 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(O)CN(C(=O)c2cc(C)no2)C1 1042809284 KDWQXFFBBRVHJJ-AWEZNQCLSA-N 323.349 -0.387 30 20 DBED C[C@@H]1C[C@@H](NCC#N)CCN1C(=O)CCn1ncn(C)c1=O 1044689186 NIFKOKCIPBQWMB-NEPJUHHUSA-N 306.370 -0.535 30 20 DBED C=C(C)C[C@H](C)C(=O)NCC1(O)CN(C(=O)[C@@H]2CCC(=O)N2)C1 1045058540 FSXKICBKSCDDTA-RYUDHWBXSA-N 323.393 -0.443 30 20 DBED Cn1oc(C(=O)N2CCN([C@@H]3CCN(CC#N)C3)CC2)cc1=O 1046024030 CFORUPMANIHULN-GFCCVEGCSA-N 319.365 -0.666 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)C(C)(C)C)C1 1046401055 ATDXFFINFSZVLI-ZDUSSCGKSA-N 321.421 -0.180 30 20 DBED N#Cc1ccc(N[C@H]2C[C@@H](CNC(=O)[C@@H]3CCNC3=O)C2)nn1 1046529619 QZHKSAZHTHNRHN-ADEWGFFLSA-N 314.349 -0.209 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)N(CC(N)=O)C3)nn1 1047161508 UNDQUUASYCFVLW-TUAOUCFPSA-N 318.381 -0.468 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2cnc(N(C)C)cn2)C1 1047381900 UEVWXVMALNRWLZ-KBPBESRZSA-N 317.393 -0.317 30 20 DBED C=CCCOCC(=O)N1C[C@H]2C[C@H](NC(=O)CC(N)=O)C[C@H]1C2 1047429426 ARGVQDFQZURDIX-RWMBFGLXSA-N 323.393 -0.050 30 20 DBED CC#CCN1C[C@H]2CN(C(=O)c3nccnc3C(N)=O)C[C@H]2C1 1049206791 HEIINDNUDLJTTR-TXEJJXNPSA-N 313.361 -0.397 30 20 DBED C=CCn1cc(C(=O)N2CCC[C@@H]3[C@@H]2CCN3CC(N)=O)nn1 1049773956 TYPCBEILIQICOA-OLZOCXBDSA-N 318.381 -0.372 30 20 DBED Cc1nn(CC(=O)N2CCC[C@H]3[C@@H]2CCN3CC#N)c(=O)n1C 1049870799 NWNCJNIDVUXHHV-STQMWFEESA-N 318.381 -0.521 30 20 DBED C#CCN1C[C@@H]2CCCN(C(=O)CN3CCN(C)C(=O)C3)[C@@H]2C1 1050081629 KHWKRNBIWBFKRH-LSDHHAIUSA-N 318.421 -0.684 30 20 DBED C[C@@H]1[C@@H](NC(=O)Cn2nccn2)CCN1c1ccc(C#N)nn1 1050667846 MHELGALUZMLKEX-PWSUYJOCSA-N 312.337 -0.277 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1 1051126369 FHMXRTNFKSMOPG-QLFBSQMISA-N 302.378 -0.026 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)c1cnn2c(=O)cc[nH]c12 1051153427 OXVNXWDKFSZMMN-NSHDSACASA-N 315.333 -0.914 30 20 DBED N#Cc1ccc(CNC[C@@H]2CN(C(=O)CC(N)=O)CCO2)s1 1051503925 DYPUIOBQCDNZHR-SNVBAGLBSA-N 322.390 -0.188 30 20 DBED CN1CCO[C@@H](C(=O)N2CC[C@H](N3CCN(CC#N)CC3)C2)C1 1052001265 TYDJRQFWCURRBH-LSDHHAIUSA-N 321.425 -0.941 30 20 DBED C[C@H](C#N)C(=O)N1CCOC2(CN(CCS(C)(=O)=O)C2)C1 1053192240 YYCDFTFURWEZPD-LLVKDONJSA-N 315.395 -0.896 30 20 DBED CCn1ccc(CC(=O)N2CCOC3(CN(CC#N)C3)C2)n1 1053263724 WLYSBFACPAYSAL-UHFFFAOYSA-N 303.366 -0.118 30 20 DBED C=CCN1CC2(C1)CN(C(=O)c1c[nH]c(C(N)=O)c1)CCO2 1053534008 PGUPXQIHLYAFLN-UHFFFAOYSA-N 304.350 -0.174 30 20 DBED C=CCCN1CC2(C[C@@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)CO2)C1 1053924141 LUHQWBZPPPHQEN-FRRDWIJNSA-N 323.393 -0.445 30 20 DBED CCc1nc(C#N)cc(N2CCN(C(=O)c3nc[nH]n3)CC2)n1 1055874698 WSHMAUMUOBIGCE-UHFFFAOYSA-N 312.337 -0.009 30 20 DBED N#Cc1cncc(N2CCN(C(=O)[C@H]3CC[C@@H]3C(N)=O)CC2)n1 1055974020 QXHSLACLJLBDKP-RYUDHWBXSA-N 314.349 -0.492 30 20 DBED N#Cc1ccc(N[C@@H]2CCN(C(=O)C3CS(=O)(=O)C3)C2)nn1 1056709474 NGCJBZPWNKHHRE-LLVKDONJSA-N 321.362 -0.594 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)c1n[nH]c(C)c1O 1057170914 GRUXTPAZSDBGFX-UHFFFAOYSA-N 310.354 -0.059 30 20 DBED C=C(C)CCC(=O)NCCN(CCO)C(=O)[C@H](C)NC(N)=O 1057426073 DULBICTYCVYELO-NSHDSACASA-N 314.386 -0.663 30 20 DBED Cn1nnc(C(=O)N2CCC[C@H](Nc3ccc(C#N)nn3)C2)n1 1057738763 WAMQEDGDNQXITN-JTQLQIEISA-N 313.325 -0.412 30 20 DBED N#Cc1cnc(N2CC[C@H](NC(=O)C[C@H]3CCNC3=O)C2)cn1 1058465291 OVBXLUBSXLUIRA-MNOVXSKESA-N 314.349 -0.431 30 20 DBED Cc1cc(C#N)nc(N2CC[C@H](NC(=O)[C@@H]3CNC(=O)N3)C2)n1 1058531576 STYCAXVIPTYJLU-ONGXEEELSA-N 315.337 -0.967 30 20 DBED C[C@H](C#N)C(=O)NCC[C@@H]1CCN(C(=O)Cn2ncnn2)C1 1059695203 IHEJJRJHJIZHOB-GHMZBOCLSA-N 305.342 -0.812 30 20 DBED CN1C[C@@H](C(=O)N[C@H]2C[C@@H](Nc3nccnc3C#N)C2)CC1=O 1059862347 IRLDCLWXQPEXNL-GARJFASQSA-N 314.349 -0.114 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](CCNC(=O)Cn2cncn2)C1 1060292678 WJDOFKYWYNBQMJ-VXGBXAGGSA-N 304.354 -0.207 30 20 DBED C#CCNC(=O)CC(=O)N1CCOC[C@@H]1CNC(=O)[C@H]1C[C@@H]1C 1061768586 JPYKRUSLDPTMNF-AVGNSLFASA-N 321.377 -0.875 30 20 DBED C#CCO[C@H](C)C(=O)NC1(CNC(=O)CN(C)C(C)=O)CCC1 1062582447 XELDQSBXNPFYDF-GFCCVEGCSA-N 323.393 -0.342 30 20 DBED CN(C(=O)[C@H]1CCNC1=O)[C@H]1CCN(c2cnc(C#N)cn2)C1 1063004265 CLCXUKVLHHOKAQ-RYUDHWBXSA-N 314.349 -0.479 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(NC(=O)c2cn(C)nn2)CCC1 1063042594 XAEVILBVLCLSNT-NSHDSACASA-N 319.365 -0.378 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@H]1CN(C(=O)COC)CCO1 1064755404 ZUPDZPGGESKRDW-SMDDNHRTSA-N 300.355 -0.697 30 20 DBED CCn1nncc1C(=O)N1CCO[C@@H](CNC(=O)[C@H](C)C#N)C1 1065117412 NXBBUYDWPUZGSM-MNOVXSKESA-N 320.353 -0.585 30 20 DBED Cn1nnc(C(=O)NC[C@H]2[C@@H]3CN(c4ccc(C#N)nc4)C[C@H]23)n1 1068193250 XPTRJTHXKJUPMP-XYYAHUGASA-N 324.348 -0.411 30 20 DBED C=C[C@H](C)[C@H](C)C(=O)N1CC2(CN(C(=O)CC(N)=O)CCO2)C1 1068363218 IJWYDQOFVAUTCL-RYUDHWBXSA-N 323.393 -0.240 30 20 DBED N#Cc1ccc(NC[C@H]2C[C@H](NC(=O)[C@@H]3CNC(=O)N3)C2)cn1 1068573656 SHWNKXRQAQXSNC-XDTLVQLUSA-N 314.349 -0.059 30 20 DBED C[C@@H]1C[C@H](Nc2ccc(C#N)nn2)CN1C(=O)Cn1cnnn1 1069005847 JHHOXNNAFHOFCV-KOLCDFICSA-N 313.325 -0.564 30 20 DBED C#CCN1CCn2ncc(CNC(=O)[C@H]3COC(=O)N3)c2C1 1069859505 YJISTOXXHKQDSE-LLVKDONJSA-N 303.322 -0.944 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2cnn(C)c2)C1 1069894086 FGZGQDCIKKVJGR-OLZOCXBDSA-N 301.354 -0.147 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCC[C@@H](NC(=O)CNC(N)=O)C1 1070666555 SUOFLHOPVZFYLN-QMTHXVAHSA-N 312.370 -0.911 30 20 DBED C#CCCCCC(=O)N[C@@H]1CCCN(C(=O)[C@H]2CNC(=O)N2)C1 1071208226 ZNWHOYPEPQYCHH-CHWSQXEVSA-N 320.393 -0.031 30 20 DBED C#CCN1C[C@H](NC(=O)CN2CCCS2(=O)=O)CC[C@@H]1C 1071549817 UKSMICMMOJTKJC-QWHCGFSZSA-N 313.423 -0.376 30 20 DBED C=CCCCC(=O)N[C@@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1C 1071554176 REXKADXYVLCXIF-NWDGAFQWSA-N 306.370 -0.008 30 20 DBED C#CCOCCC(=O)N[C@H]1CN(C(=O)CN(C)C(C)=O)C[C@H]1C 1071662725 XLHUCCJQIHNFGP-OCCSQVGLSA-N 323.393 -0.532 30 20 DBED C=CCN1CCCO[C@@H](CNC(=O)[C@@H]2CCCS2(=O)=O)C1 1073896695 YPUCAKWLPUDNGP-STQMWFEESA-N 316.423 -0.043 30 20 DBED N#CCN1CCCO[C@H](CNC(=O)[C@H]2CCc3nncn3C2)C1 1073901746 DEFJGBHWCHDPPS-QWHCGFSZSA-N 318.381 -0.429 30 20 DBED CNC(=O)CC(=O)N1CC[C@@H](NC(=O)C#CC2CC2)[C@@H](C)C1 1073945911 KVEYDIOOFJLDDM-WCQYABFASA-N 305.378 -0.111 30 20 DBED C=CCCO[C@@H](C)C(=O)N[C@@H](C)CCNC(=O)Cn1cnnn1 1075561385 ZXGAUBXHUZPTHO-RYUDHWBXSA-N 324.385 -0.335 30 20 DBED C[C@H](C(N)=O)N1C[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)[C@@H]2C1 1075703738 NXWOIXWDDHKFOZ-GBIKHYSHSA-N 301.350 -0.094 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)c2cnc3[nH]nnc3c2)C1 1077141935 JVDJWTQVXPKLNX-VXGBXAGGSA-N 302.338 -0.296 30 20 DBED CCN(C(=O)CS(C)(=O)=O)C1CN(C(=O)C#CC2CC2)C1 1079419566 PZKRWWGQVQRTJJ-UHFFFAOYSA-N 312.391 -0.496 30 20 DBED CCN(C(=O)[C@H]1CCNC1=O)C1CN(C(=O)C#CC(C)C)C1 1080217384 DERLXKBLNZXPEL-ZDUSSCGKSA-N 305.378 -0.159 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CO)(NC(=O)CC2(O)CCC2)CC1 1080851911 ICDQPKXCYUVHIU-LBPRGKRZSA-N 323.393 -0.079 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)c2ccn(C)n2)C[C@H]1O 1081338824 WUCLXSVSVYWQHK-DGCLKSJQSA-N 306.366 -0.065 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1nn2c(c1C)OCCC2 1081772353 XWCKGXNZHRVNCS-VXGBXAGGSA-N 319.365 -0.073 30 20 DBED C=CCN1C[C@@H](NC(=O)[C@@H]2CCN(C)S2(=O)=O)[C@H](OC)C1 1082224641 SVCDDFKLUNNIMF-UTUOFQBUSA-N 317.411 -0.978 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)Cn2ccc(C)cc2=O)C1 1083825426 RWMFIAWYYDXFMY-KGLIPLIRSA-N 303.362 -0.659 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)C2CCN(CC#C)CC2)C1 1084090330 VBFLSIKDJMLJCV-CVEARBPZSA-N 303.406 -0.484 30 20 DBED C=CCCN1CC[C@@H]1CN(C)C(=O)c1cn(CC(N)=O)nn1 1085986511 GLNDUINTNIFAQL-LLVKDONJSA-N 306.370 -0.514 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@H](NCc2nnn(C)n2)C1 1086481266 XLDLTHGVYWGGTD-LPWJVIDDSA-N 320.397 -0.214 30 20 DBED N#CCN1C[C@@H](NC(=O)Cn2cnnn2)CC2(CCOCC2)C1 1089924429 PNLZJBWODZNQTK-LBPRGKRZSA-N 319.369 -0.816 30 20 DBED C=CCCn1cc(C(=O)N[C@@H]2CCN(CC#N)C[C@@H]2O)nn1 1090638765 RTPBASZTQAJXTN-YPMHNXCESA-N 304.354 -0.457 30 20 DBED C=CCCN1CC[C@@H](NC(=O)c2cc(C(N)=O)c[nH]2)[C@H](O)C1 1090674955 CHDILFSLWVVZCC-DGCLKSJQSA-N 306.366 -0.145 30 20 DBED N#CCSCC(=O)N[C@@H]1CN(c2nccnc2F)C[C@@H]1O 1091074815 KABISFJFWUSEJA-BDAKNGLRSA-N 311.342 -0.462 30 20 DBED C[C@H](C(=O)N1C[C@H]2CN(CC#N)C[C@@]2(C)C1)N1C(=O)CCC1=O 1091716570 MDQDSINPHHNOPF-HSMVNMDESA-N 318.377 -0.172 30 20 DBED N#Cc1cnc(NC2CC(CNC(=O)CCNC(N)=O)C2)cn1 1092218259 AWCJEIVWGUEFOW-UHFFFAOYSA-N 317.353 -0.287 30 20 DBED C[C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1CNc1nccnc1C#N 1092636073 NOCSPWZZLIPKMX-NXEZZACHSA-N 317.353 -0.477 30 20 DBED C=CCCN1C[C@@H](C)[C@H](CNC(=O)[C@H]2CCS(=O)(=O)N2)C1 1093203572 VHFSSENRTZXTEZ-JHJVBQTASA-N 315.439 -0.062 30 20 DBED CC(=O)N(C)CC(=O)N[C@H]1[C@@H]2CN(c3ccc(C#N)nn3)C[C@@H]21 1093218633 WQTVQKPSQKVGCY-JYAVWHMHSA-N 314.349 -0.623 30 20 DBED CNC(=O)CC(=O)NC1[C@@H]2CN(c3nc(C)ccc3C#N)C[C@@H]12 1093242366 UACZMBRHSOBZDW-VXGBXAGGSA-N 313.361 -0.051 30 20 DBED CC(C)(C(N)=O)C(=O)N[C@H]1[C@@H]2CN(c3cnc(C#N)cn3)C[C@@H]21 1093317155 WBIKXZRWTIOUMG-IAZYJMLFSA-N 314.349 -0.589 30 20 DBED N#Cc1nc(=NC2CC3(C2)CC(NC(=O)CC(N)=O)C3)cc[nH]1 1093425943 LCRCKJLZMNIFJN-UHFFFAOYSA-N 314.349 -0.515 30 20 DBED N#Cc1ccc(NCCNC(=O)CCCS(N)(=O)=O)cn1 1094078092 JSTAETAOBOESCQ-UHFFFAOYSA-N 311.367 -0.450 30 20 DBED C[C@@H]1COCC[C@H]1C(=O)NCc1cn(C2CN(CC#N)C2)nn1 1094318433 MWKHUSFRSUFRIS-BXUZGUMPSA-N 318.381 -0.053 30 20 DBED N#Cc1nccnc1NCCCNC(=O)CCn1cnnn1 1094541372 LINDAYPHVSEEJU-UHFFFAOYSA-N 301.314 -0.657 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)CC2=O)C1 1094787894 JWWNZMFCRUXGRZ-MYPMTAMASA-N 317.389 -0.412 30 20 DBED CNC(=O)NCC(=O)N1CCC(N=c2cc[nH]c(C#N)n2)CC1 1095250262 MORWRVHZOCTKHA-UHFFFAOYSA-N 317.353 -0.898 30 20 DBED CCN(CCCNC(=O)[C@@H]1CCC(=O)N1)c1cnc(C#N)cn1 1095899350 ZGFTZYHAXWVJEM-LBPRGKRZSA-N 316.365 -0.041 30 20 DBED C[C@H](CC(N)=O)C(=O)N1CC[C@H](Nc2cncc(C#N)n2)C1 1096973951 XXVLMOSUPSUDPW-ZJUUUORDSA-N 302.338 -0.127 30 20 DBED C[C@H](CNC(=O)c1cc(C#N)c[nH]1)Nc1ccc2nnnn2n1 1097778710 XYGMZGQKFXCUBL-MRVPVSSYSA-N 311.309 -0.051 30 20 DBED CC1(C)CC[C@H](CNC(=O)CN2CCNC(=O)C2)N(CC#N)C1 1099171978 XIMOTOKFJJEISQ-CYBMUJFWSA-N 321.425 -0.451 30 20 DBED C[C@H](CCNC(=O)Cn1ncnn1)Nc1cncc(C#N)n1 1099553842 SXWGVMPXQFQYAO-SECBINFHSA-N 301.314 -0.658 30 20 DBED CCN(CCC#N)C(=O)CN1CC[C@H](NC(=O)C(C)C)[C@H](O)C1 1099669243 OJLKOSSZQDIBIO-UONOGXRCSA-N 324.425 -0.044 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CCN(CCCC=C)C[C@H]1O 1099788367 DJVMMJMOPQDVAC-UONOGXRCSA-N 307.394 -0.357 30 20 DBED COCC#CCN1CC[C@H](NC(=O)Cc2cncnc2)[C@@H](O)C1 1099796493 DMGPIGIMYYCCIC-GJZGRUSLSA-N 318.377 -0.780 30 20 DBED CC/C(C)=C\C(=O)N[C@@H]1CCN(CC(=O)NCC#N)C[C@H]1O 1099818089 JXOMYDMPQJVEFU-FUTHCOOYSA-N 308.382 -0.466 30 20 DBED Cn1ncnc1CN1CC[C@H](NC(=O)C#CC(C)(C)C)[C@H](O)C1 1099830102 MUOMPJVPHMQWCA-QWHCGFSZSA-N 319.409 -0.084 30 20 DBED COCC#CCN1CC[C@H](NC(=O)C2(COC)CC2)[C@@H](O)C1 1099920757 DSAWWQSGCNWMFT-KBPBESRZSA-N 310.394 -0.386 30 20 DBED Cc1c[nH]cc1C(=O)N[C@H]1CCN(CC(=O)NCC#N)C[C@H]1O 1100107659 JKSVRGAAUXZLPX-QWHCGFSZSA-N 319.365 -0.872 30 20 DBED Cn1ccc(C(=O)NCC2CC(NCC(=O)NCC#N)C2)c1 1100241467 UXDBGANRRFFBGR-UHFFFAOYSA-N 303.366 -0.237 30 20 DBED CCCCS(=O)(=O)NCC(=O)NCC1CC(NCC#N)C1 1100917260 AWNCKYKMEBLSFW-UHFFFAOYSA-N 316.427 -0.286 30 20 DBED CCCN(CCNC(=O)[C@H]1C[C@H]1C(N)=O)c1cncc(C#N)n1 1101240907 YFXDMBPRWWLZNR-NEPJUHHUSA-N 316.365 -0.198 30 20 DBED CN(CCNc1cnc(C#N)cn1)C(=O)CCc1cn(C)nn1 1101671013 KAMWRTDOAAAWQD-UHFFFAOYSA-N 314.353 -0.020 30 20 DBED CCC(=O)NCC(=O)NC[C@@H]1CN(CC#CCOC)C[C@H]1C 1101821047 MSXBJBLFLBWUSU-ZIAGYGMSSA-N 309.410 -0.154 30 20 DBED CN(CCNc1nccnc1C#N)C(=O)c1cn(C)c(=O)cn1 1102048053 DTHCADVAQPNLIA-UHFFFAOYSA-N 313.321 -0.374 30 20 DBED Cc1ccc(C#N)c(N2C[C@@H]3C[C@H]2CN3C(=O)CNC(N)=O)n1 1102535968 BELOVHXWEIYLPW-RYUDHWBXSA-N 314.349 -0.281 30 20 DBED CNC(=O)NCC(=O)N1CCC[C@@H]1CN=c1cc[nH]cc1C#N 1103824733 XSNUKPPNGKJRIS-GFCCVEGCSA-N 316.365 -0.293 30 20 DBED CCO[C@H](CC)C(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1 1105729741 SWVADPNTXGPJGD-WDEREUQCSA-N 307.354 -0.526 30 20 DBED Cc1ccc(C#N)c(NC[C@H](O)CNC(=O)[C@H]2COCCO2)n1 1105779534 DHHXUTFTQSAEOD-QWHCGFSZSA-N 320.349 -0.434 30 20 DBED COc1ccc(C(=O)NC[C@H](O)CN=c2cc[nH]c(C#N)n2)o1 1105940834 KQODTQDOZSZILL-SECBINFHSA-N 317.305 -0.425 30 20 DBED COC[C@H](C)CC(=O)NC[C@H](O)CNc1nccnc1C#N 1105941169 RXJYFBUNLGPFHO-MNOVXSKESA-N 307.354 -0.090 30 20 DBED N#Cc1cncc(NC[C@@H](O)CNC(=O)CCn2ccnc2)n1 1106037970 HRZPFPWOGLOBFI-GFCCVEGCSA-N 315.337 -0.476 30 20 DBED Cc1cc(=NC[C@@H](O)CNC(=O)c2csnn2)c(C#N)c[nH]1 1106054209 LTKPGYXYGJZPDG-SNVBAGLBSA-N 318.362 -0.262 30 20 DBED CC[C@@H](NC(C)=O)C(=O)NC[C@@H](O)CNc1cnc(C#N)cn1 1106124136 XEYYOTUMZYGSDR-NWDGAFQWSA-N 320.353 -0.848 30 20 DBED N#Cc1cnc(NC/C=C/CNC(=O)CCn2cnnn2)cn1 1107299871 HMPDICYALURFIR-OWOJBTEDSA-N 313.325 -0.491 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)CNC(=O)c2ccoc2)C1 1107962706 KKBQZBRGGVBHDX-MRXNPFEDSA-N 319.361 -0.150 30 20 DBED C#CCCN1CCO[C@](C)(CNC(=O)c2c[nH]c(C(N)=O)c2)C1 1108400133 DTKCAIQEZVRILW-MRXNPFEDSA-N 318.377 -0.042 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)CC(=O)N(C)C)CC2=O)C1 1108576551 VVSPBNDAYGZVBF-NSHDSACASA-N 308.382 -0.948 30 20 DBED CS(=O)(=O)CC(=O)N[C@H]1[C@H]2C[C@H]1N(c1ccc(C#N)cn1)C2 1109692644 BPEJYPZGICFUOR-WDMOLILDSA-N 320.374 -0.309 30 20 DBED N#Cc1cnc(NC[C@@H](NC(=O)C2(C(N)=O)CC2)C2CC2)cn1 1109963479 GIEOLHYCSOXDKA-LLVKDONJSA-N 314.349 -0.080 30 20 DBED CC(=O)N(C)CC(=O)NCC1(Nc2cnc(C#N)cn2)CC1 1110065763 YJEIDESQUICHMV-UHFFFAOYSA-N 302.338 -0.113 30 20 DBED N#Cc1nccnc1NC1(CNC(=O)C2CS(=O)(=O)C2)CC1 1110242958 ZWLCVWHKHFMGDY-UHFFFAOYSA-N 321.362 -0.546 30 20 DBED CC(C)(C)C#CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NC(N)=O 1110543012 GJAHVNDYRMIQHN-UTUOFQBUSA-N 320.393 -0.048 30 20 DBED CC(C)OCC(=O)NC[C@]1(O)CCN(c2cncc(C#N)n2)C1 1111037960 OJIUZDUOVOFINJ-OAHLLOKOSA-N 319.365 -0.169 30 20 DBED CN(C)CCC(=O)NC[C@@]1(O)CCN(c2ncccc2C#N)C1 1111124853 WWVMZNLBDQWSFU-INIZCTEOSA-N 317.393 -0.038 30 20 DBED N#Cc1cnc(NCCN(CCO)C(=O)c2ncccn2)cn1 1111501396 ZTKHACRJXZEZCO-UHFFFAOYSA-N 313.321 -0.315 30 20 DBED Cc1nn[nH]c1C(=O)N(CCO)CCNc1ccc(C#N)nn1 1111535326 PLJBUWCGPMINGK-UHFFFAOYSA-N 316.325 -0.679 30 20 DBED CNC(=O)NCC(=O)N(C)CCCN(C)c1cncc(C#N)n1 1112191553 GFFLNFXENANKKF-UHFFFAOYSA-N 319.369 -0.438 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1112720110 GGVLNWDNIUWVFM-JSGCOSHPSA-N 313.361 -0.079 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)C[C@](C)(O)C=C)CC1 1112804528 MOLQRPLWBOIQBD-XJKSGUPXSA-N 307.394 -0.404 30 20 DBED CNC(=O)CCCC(=O)N[C@H](C)[C@H](C)N=c1cc[nH]c(C#N)n1 1112978019 JDHPPTTWGWGDMZ-WDEREUQCSA-N 318.381 -0.008 30 20 DBED CNC(=O)NCCC(=O)N[C@H](C)[C@@H](C)Nc1nccnc1C#N 1113001599 LJSYTYYBCNVXGO-NXEZZACHSA-N 319.369 -0.028 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)c2coc(OC)n2)CC1 1113160608 GGMOQSOFTJJSSN-NSHDSACASA-N 320.349 -0.421 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)c2csnn2)CC1 1113167285 GZGNISLDKHPTNV-JTQLQIEISA-N 309.395 -0.013 30 20 DBED C[C@H](CNC(=O)C(C)(C)C(N)=O)N(C)c1cncc(C#N)n1 1113741364 QMGZFBZQSHNMMU-SECBINFHSA-N 304.354 -0.199 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3cncnc3C)[C@H]2C1 1113920716 ZWASTJWDTJRGGE-STQMWFEESA-N 313.361 -0.806 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)[C@@H]3CCCOCC3)[C@@H]2C1 1114189372 NTZBLCDYCKGXPC-MGPQQGTHSA-N 319.405 -0.401 30 20 DBED CCn1ccnc1C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1114189511 QDTCKQKGUMMQSY-PJXYFTJBSA-N 316.365 -0.797 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)C[C@H]3CCCOC3)[C@@H]2C1 1115247255 BHHZLBHUGMRXSN-MGPQQGTHSA-N 319.405 -0.401 30 20 DBED CC(C)[C@@H](CCNC(=O)CNC(N)=O)Nc1cnc(C#N)cn1 1115277361 XQTQGJYSZXRNPA-LLVKDONJSA-N 319.369 -0.041 30 20 DBED C=CCO[C@H](C)C(=O)NC1[C@@H]2CN(Cc3nc(O)n[nH]3)C[C@@H]12 1115333165 UEZLJUUJFRBPAH-OPRDCNLKSA-N 307.354 -0.352 30 20 DBED COC[C@H](NC(=O)C(=O)N1CC[C@](F)(C#N)C1)[C@@H]1CCCO1 1117598817 JYHQLCWIZJZBFI-MJVIPROJSA-N 313.329 -0.239 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H](C)[C@H]2CCOC2)C1=O 1117724464 HGHCODKJACBOCH-AGIUHOORSA-N 323.393 -0.227 30 20 DBED C[C@H](CN(C)C(=O)[C@]1(C)CCNC1=O)N=c1cc[nH]c(C#N)n1 1120662449 VSBPCFQOINTXOD-MEBBXXQBSA-N 316.365 -0.445 30 20 DBED C[C@H](CC(N)=O)C(=O)NC[C@@H](CO)Nc1ccc(C#N)cn1 1122353901 DYTOXSJEMVQSCW-KOLCDFICSA-N 305.338 -0.646 30 20 DBED C=CCn1cc(C(=O)NC[C@@H](CO)Nc2ncc(F)cn2)nn1 1122636153 NDXXAJGFAJKERI-JTQLQIEISA-N 321.316 -0.404 30 20 DBED CN(C[C@@H](O)CNc1cncc(C#N)n1)C(=O)c1cnn(C)n1 1124415375 UJAXCQDPZUFSJX-JTQLQIEISA-N 316.325 -0.978 30 20 DBED C=CCCO[C@H](C)C(=O)NCCNC[C@H](O)Cn1cccn1 1124495472 PDXKAOBVTFSBFA-KGLIPLIRSA-N 310.398 -0.069 30 20 DBED C=CCOCC(=O)N(C)C[C@@H](O)CN(C)c1nccc(OC)n1 1124988022 FVWDJHOXHLAKFF-GFCCVEGCSA-N 324.381 -0.057 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)Cc1cc(C)on1 1124999657 XAFGUGHFVSKGNR-UHFFFAOYSA-N 321.381 -0.007 30 20 DBED Cc1cc(C#N)nc(N2CCC([C@H](C)NC(=O)C(N)=O)CC2)n1 1126767717 QCRNQVBHUPGSHQ-JTQLQIEISA-N 316.365 -0.137 30 20 DBED Cn1cc(C(=O)NCCNCC(=O)NCC#N)c(C(F)F)n1 1129607480 XQKBJFQUDUKSKY-UHFFFAOYSA-N 314.296 -0.683 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cc(C)nnc1CC 1130454234 OPEODJXVBXGDSP-UHFFFAOYSA-N 303.366 -0.584 30 20 DBED C=CCO[C@@H](C)C(=O)N1C[C@H]2C[C@@H]3CN(CC(N)=O)C[C@]2(C1)O3 1131298262 YIHLQLRFPKAXRE-VPWBDBDCSA-N 323.393 -0.636 30 20 DBED C#CCN1CC[C@]2(C1)CN(C(=O)CC(=O)NCC)C[C@@H](C)O2 1131652626 LOJRHORQQQNIOE-CJNGLKHVSA-N 307.394 -0.162 30 20 DBED C=CC(C)(C)C(=O)NCCNCC(=O)N1CCC[C@@H](C(N)=O)C1 1132396024 YWDNAHQJLFYJHD-GFCCVEGCSA-N 324.425 -0.372 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)CCc1cnn(C)n1 1133951101 PKAATRJCWATHSM-LLVKDONJSA-N 308.386 -0.856 30 20 DBED Cc1cc(CC(=O)N[C@@H](C)C[C@@H](C)NCC(=O)NCC#N)n[nH]1 1134055630 KRVRNMUOMXHQFK-MNOVXSKESA-N 320.397 -0.227 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)c1cn(C)nn1 1134269781 JNZAOYJOYSOOQQ-WDEREUQCSA-N 306.370 -0.949 30 20 DBED C#CCOCCC(=O)N[C@@H](C)C[C@@H](C)NCc1nnnn1C 1134373069 QVHPDJXCTCASIY-NEPJUHHUSA-N 308.386 -0.377 30 20 DBED C#CCN[C@@H](C)C[C@@H](C)NC(=O)c1nc(C)n(-c2nc[nH]n2)n1 1135139633 HXYKJDRNNCRMBH-VHSXEESVSA-N 316.369 -0.186 30 20 DBED C[C@@H](C[C@H](C)NC(=O)Cn1nc2ccccn2c1=O)NCC#N 1135167265 STBWVAIGERBWLQ-RYUDHWBXSA-N 316.365 -0.108 30 20 DBED C[C@@H](C[C@@H](C)NCC(=O)NCC#N)NC(=O)c1cn(C)c(O)n1 1135387815 RDPGFDGJCZVTPU-ZJUUUORDSA-N 322.369 -0.748 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1cn(CC2CC2)nn1 1135963439 MIMJUBNOZZRZLU-UHFFFAOYSA-N 306.370 -0.690 30 20 DBED C=CCNC(=O)CNCCNC(=O)CCOCCCOC 1147065750 XRILMHCDXQNJAV-UHFFFAOYSA-N 301.387 -0.562 30 20 DBED C=CCOc1cccnc1C(=O)NCCNCC(=O)NCC#N 1147282939 GUUFLXCGSSMKDQ-UHFFFAOYSA-N 317.349 -0.394 30 20 DBED C=CCNC(=O)CN1CCCO[C@H](CNC(=O)[C@@H](C)OC)C1 1149295059 YTTJQKTZXUYSMH-CHWSQXEVSA-N 313.398 -0.469 30 20 DBED CCN(CC#N)[C@H](C)CNC(=O)[C@@H]1Cc2cncn2C(=O)N1 1154431495 KLINQFNOUQKFAI-PWSUYJOCSA-N 304.354 -0.284 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)[C@@H]2COCCO2)C1=O 1154859282 ZWDOXINHFQPVGP-STQMWFEESA-N 311.382 -0.715 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)[C@H]1CCNC(=O)C1 1156522851 DZIFAUWHQLMSEZ-RYUDHWBXSA-N 310.398 -0.701 30 20 DBED Cn1nccc1C(=O)NCCC1(CNCC(=O)NCC#N)CC1 1163711588 RXQSIPZTFCTOFO-UHFFFAOYSA-N 318.381 -0.450 30 20 DBED CNC(=O)NC(=O)CNCC1(CCNC(=O)C#CC(C)C)CC1 1164464076 MLJDPZXWRZNCDZ-UHFFFAOYSA-N 322.409 -0.023 30 20 DBED COCC#CCNCCCNC(=O)[C@H]1CN(C(C)C)CCO1 1164538408 GOXHJQWMFLKLAW-OAHLLOKOSA-N 311.426 -0.159 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)[C@]1(F)CCOC1 1164563673 RDXVMJIIIQZRML-RISCZKNCSA-N 301.362 -0.098 30 20 DBED C=CCNC(=O)CN1CCO[C@H]2CCN(C(=O)COC)C[C@H]21 1176877476 VRDVVYFMHQYEPE-OLZOCXBDSA-N 311.382 -0.763 30 20 DBED C=CCOCCN1CCO[C@@H]2CCN(C(=O)CC(N)=O)C[C@H]21 1176949554 PKMHZBLIEKUPBX-CHWSQXEVSA-N 311.382 -0.634 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)[C@]2(F)CCOC2)[C@H]1C 1179398241 DBSDIWPWWFKNGP-HUBLWGQQSA-N 313.373 -0.004 30 20 DBED C=C(C)CCN[C@@H]1CCN(C(=O)CNS(=O)(=O)NC)C1 1184618526 DPDGXPRVXCPYQJ-LLVKDONJSA-N 304.416 -0.803 30 20 DBED N#CCNC[C@H]1CN(C(=O)Cn2ncnn2)CC12CCOCC2 1186373834 PFBWPBGORRNGEC-LBPRGKRZSA-N 319.369 -0.959 30 20 DBED C[C@@H](CC(N)=O)C(=O)N1C[C@H](CNCC#N)C2(CCOCC2)C1 1186446222 YMUOKVMFRHGYRR-STQMWFEESA-N 322.409 -0.134 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@H](N(C)C[C@@H](O)COC)C1 1190722999 HCDALKDMZZGZKJ-XHSDSOJGSA-N 323.437 -0.376 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC[C@H](N(C)CC(N)=O)C1 1192687345 FJFVCVDPMMVOSV-QWHCGFSZSA-N 310.398 -0.525 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)C(=O)NCC2CC2)C1 1193100780 XPILIAPGKLSASI-CYBMUJFWSA-N 322.409 -0.653 30 20 DBED N#CCNC(=O)CN1CCCN(C(=O)c2ccc(C#N)[nH]2)CC1 1195497267 KYLVTOHBEOBXCW-UHFFFAOYSA-N 314.349 -0.326 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)[C@H]2CC[C@H]2C(N)=O)CC1 1196771182 TXFLRKAESIJORW-OLZOCXBDSA-N 322.409 -0.666 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)C2(C(N)=O)CC2)CC1 1196977680 SNOJKKPVLQKIKO-UHFFFAOYSA-N 308.382 -0.912 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)N1CCCN(CCO)CC1 1198265566 DKFWTRXKUKABDD-UHFFFAOYSA-N 312.414 -0.223 30 20 DBED C=CCOCC(=O)N1CCCO[C@@H](CN[C@@H]2CCNC2=O)C1 1200108910 LMDQEDXYDFOMDZ-QWHCGFSZSA-N 311.382 -0.715 30 20 DBED C=CCNC(=O)[C@H](C)NC1CCN(C(=O)C(C)(C)C(N)=O)CC1 1201149963 QRBXSXLVVYEPDX-NSHDSACASA-N 324.425 -0.231 30 20 DBED COCCn1cc(C(=O)N2CCCO[C@H](CNCC#N)C2)cn1 1201959663 XGXYDVIKCPKQPK-CQSZACIVSA-N 321.381 -0.126 30 20 DBED C#CCCNCC1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)CC1 1206932045 MVJIEFFIYSDASO-ZDUSSCGKSA-N 313.423 -0.470 30 20 DBED N#CCN[C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1c1ccccc1 1211527843 BFLCAHROACBVEV-QWHCGFSZSA-N 301.350 -0.238 30 20 DBED C=CCCCN1C[C@@H](NC(=O)CS(C)(=O)=O)[C@H](OC)C1 1211972232 FOLCHIPSTBPXIL-VXGBXAGGSA-N 304.412 -0.187 30 20 DBED C=CCOCC(=O)N[C@@H]1CN([C@H]2CCN(C)C2=O)C[C@H]1OC 1212034607 YSIZFNZOOYPRMI-FRRDWIJNSA-N 311.382 -0.765 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(CC(=O)N(C)C)C[C@H]1OC 1213961842 UEOZBYOWIQEJPD-JHJVBQTASA-N 313.398 -0.519 30 20 DBED Cc1nn(C)cc1C(=O)N1C[C@@H](NCC(=O)NCC#N)[C@H](C)C1 1214346741 FZMQCFHZICVMOJ-ZWNOBZJWSA-N 318.381 -0.582 30 20 DBED C=CCN[C@@H]1CN(C(=O)CCCN2C(=O)CNC2=O)C[C@H]1C 1216721537 ZWBULISXBOINFS-VXGBXAGGSA-N 308.382 -0.059 30 20 DBED C=CCCO[C@@H](C)C(=O)N[C@@H]1CN(CC(=O)NCC)C[C@@H]1O 1219324687 XVUPKHRIJLSSMD-XQQFMLRXSA-N 313.398 -0.735 30 20 DBED CCc1nc(CN2C[C@H](O)[C@H](NC(=O)C#CC(C)C)C2)no1 1219581106 GYHPPWQKLVWBFK-NEPJUHHUSA-N 306.366 -0.047 30 20 DBED COCCOc1ccc(C(=O)N[C@@H]2CN(CC#N)C[C@@H]2O)cn1 1219755893 RPGACHGMZHBHMT-OLZOCXBDSA-N 320.349 -0.595 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)Cc2cccnc2C)C1 1220349251 ICUWQTSHCMSHPX-CVEARBPZSA-N 317.389 -0.256 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)C(C)(C)CC=C)C1 1220436671 CCEGLWAUKUPULV-MCIONIFRSA-N 321.421 -0.112 30 20 DBED COC[C@@H](O)CN1CC[C@@H]2CN(C(=O)CSCC#N)[C@@H]2C1 1221289351 NXAZDKHRSONLRQ-FRRDWIJNSA-N 313.423 -0.217 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)C[C@](C)(O)C=C)[C@@H]2C1 1221517830 LCHCAJNSHWIAPT-CKEIUWERSA-N 319.405 -0.404 30 20 DBED N#CCNC(=O)CN1CC[C@@H]2CCN(C(=O)c3cn[nH]c3)C[C@@H]21 1222309422 GLKJXSGMMMSCAI-YPMHNXCESA-N 316.365 -0.414 30 20 DBED C#CCOCCC(=O)NC1CCN([C@H](C)C(=O)NC(N)=O)CC1 1227332406 QFDJLZLLAUERDA-LLVKDONJSA-N 324.381 -0.810 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)c1cnsn1 1230855063 HGWMXRRKTMJDIC-JTQLQIEISA-N 307.379 -0.566 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)CCCNC(=O)C1CCOCC1 1231138707 KWWDXDOPENJZIF-CYBMUJFWSA-N 309.410 -0.011 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)C[C@@H]1CCOC1 1231340468 BWIDLBNQSQIZLU-KBPBESRZSA-N 307.394 -0.305 30 20 DBED C=CCNC(=O)[C@H](C)N1CC[C@H]1CN(C)C(=O)CC(=O)NCC 1233838169 UEXAPDFLSKPTHL-STQMWFEESA-N 324.425 -0.264 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)c1cnnn1CC 1234061095 XEFJZGSHHSKKME-GFCCVEGCSA-N 318.381 -0.806 30 20 DBED C#CCOCCC(=O)N(C)C[C@H]1CCN1Cc1cnn(C)n1 1234245845 GNCBXACZBFYIIY-CQSZACIVSA-N 305.382 -0.112 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2cc(OC)ccn2)C1 1265923803 ZCAQZGQLXFWSPE-LBPRGKRZSA-N 316.361 -0.356 30 20 DBED C#CCCN[C@@H](C)CCNC(=O)CN1CCCS1(=O)=O 1266148517 CEKDHGWCSGEFEB-LBPRGKRZSA-N 301.412 -0.470 30 20 DBED C#CCNC(=O)CNC[C@H]1CCCN1C(=O)[C@]1(F)CCOC1 1319102328 TWFBWKBABCHUIQ-DOMZBBRYSA-N 311.357 -0.555 30 20 DBED C[C@H](C#N)CN(C)C(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1 1320728863 FPKZRYWZELFFBK-SECBINFHSA-N 324.362 -0.109 30 20 DBED C=CCn1cc(CNC(=O)NCC2(S(C)(=O)=O)CC2)nn1 1326210612 IXXQGWDMTJHSSD-UHFFFAOYSA-N 313.383 -0.160 30 20 DBED C=CCOCCNC(=O)C(=O)N1CCC[C@H](CNC(C)=O)C1 1327052861 NPMBIFHLYRQGAA-CYBMUJFWSA-N 311.382 -0.320 30 20 DBED N#CCCC[C@H](N)C(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 1327181584 SMMHXCRCDGLNOY-CABCVRRESA-N 323.441 -0.470 30 20 DBED CCN(CCC#N)C(=O)C(=O)c1cc(S(N)(=O)=O)cn1C 1327861333 AUJWGIPFVZFQMN-UHFFFAOYSA-N 312.351 -0.383 30 20 DBED Cc1csc(CNC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)n1 1328241481 GLTWSUTVSMCZQF-ZDUSSCGKSA-N 308.363 -0.055 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)NCC(=O)N1CCCCC1 1330507886 MRRJYQRILHTIAL-ZDUSSCGKSA-N 323.393 -0.340 30 20 DBED C#CCN(C(=O)C(=O)N[C@@H](C)CS(=O)(=O)CC)C(C)C 1332702134 YPMPJYQNHICRBH-NSHDSACASA-N 302.396 -0.204 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](CCN)C2)CCN1C1CC1 1334386432 HVXZQBKBCINWMD-TZMCWYRMSA-N 319.409 -0.618 30 20 DBED COCC#CC(=O)N1CCN(C(=O)C(=O)OC(C)(C)C)CC1 1335043927 JJTSPTZBTPXOJE-UHFFFAOYSA-N 310.350 -0.351 30 20 DBED C=CCn1c(CC(C)(C)O)nnc1N1CCN2C(=O)NC[C@@H]2C1 1340171018 CODFBTCWFYBEKB-LLVKDONJSA-N 320.397 -0.009 30 20 DBED C[C@H](CNC(=O)C(=O)NCCCC#N)CN1CCN(C)CC1 1340711343 WCHCOMYEUYKQRY-CYBMUJFWSA-N 309.414 -0.594 30 20 DBED Cc1nn(C)cc1[C@H](C)NC(=O)C(=O)N1CCO[C@@H](C#N)C1 1345289286 HMJSFVODOBUFDG-ONGXEEELSA-N 305.338 -0.343 30 20 DBED C#CCCCCNC(=O)C(=O)N1CC[C@H](S(=O)(=O)NC)C1 1346474228 JOONNJIPOHRWOQ-NSHDSACASA-N 315.395 -0.944 30 20 DBED Cn1ncc(C2CC2)c1CNC(=O)C(=O)N1CCO[C@@H](C#N)C1 1350205279 PCGJSJBHGQHPEW-NSHDSACASA-N 317.349 -0.335 30 20 DBED C=CCn1c(C(N)=O)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1355920944 FDXFRPYITRJYFQ-MNOVXSKESA-N 307.354 -0.053 30 20 DBED C[C@]1(O)CCCN(C(=O)Cn2cc(C#N)c(O)nc2=O)CC1 1362416534 DQXIFYLBOZOEOJ-AWEZNQCLSA-N 306.322 -0.416 30 20 DBED Cc1cnn(C)c1C(=O)NCCn1cc(C#N)c(O)nc1=O 1363287150 MLIHDSCPUWKYOJ-UHFFFAOYSA-N 302.294 -0.708 30 20 DBED N#Cc1ccc(S(=O)(=O)N[C@H](C(N)=O)c2ccccn2)cn1 1363922219 YILCSPWHJABIMP-LBPRGKRZSA-N 317.330 -0.147 30 20 DBED Cn1cc(C(=O)NC[C@H](O)CNCc2ccc(C#N)s2)nn1 1367581125 IDHYQEXGOUBVBE-SECBINFHSA-N 320.378 -0.371 30 20 DBED CCCN(CCNC(=O)[C@H]1CN(C)CCO1)C(=O)[C@H](C)C#N 1374111209 YCINTHWBMLSFRL-CHWSQXEVSA-N 310.398 -0.169 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CN(C)C(=O)Cc1ccn(C)n1 1384220013 SVZJAWFGMFIKJB-CMPLNLGQSA-N 307.354 -0.942 30 20 DBED COC(=O)NCC(=O)N[C@H](C)CNC(=O)c1c[nH]c(C#N)c1 1392243290 VWXMTPMXBYDJSL-MRVPVSSYSA-N 307.310 -0.523 30 20 DBED CC(=O)N[C@@H](C)C(=O)N[C@H]1C[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 1407794021 ICLGDCLDPCUONI-UWJYBYFXSA-N 317.349 -0.212 30 20 DBED Cc1nc(CC(=O)NC[C@@H](C)NC(=O)c2ccc(C#N)[nH]2)n[nH]1 1410191785 TXQLYGOCUVRRDL-MRVPVSSYSA-N 315.337 -0.210 30 20 DBED CC(C)(C#N)CS(=O)(=O)NCC(C)(C)NS(C)(=O)=O 1414213269 OAVTWGJWHRWRPL-UHFFFAOYSA-N 311.429 -0.217 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1C[C@@H](NC(=O)c2cnn(C)c2N)C1 1414222201 YERCXFDHTOLBKE-BBBLOLIVSA-N 304.354 -0.213 30 20 DBED CNS(=O)(=O)CCn1c(C)nnc1N1CC[C@](F)(C#N)C1 1417529741 HBSOUIKATZAKTM-NSHDSACASA-N 316.362 -0.422 30 20 DBED C[C@@H]1CN(C(=O)CN[C@H]2C[C@H](CNC(=O)[C@H](C)C#N)C2)CCO1 1418690955 XPXMKCGNJDUXRJ-AAVRWANBSA-N 322.409 -0.122 30 20 DBED C[C@@H](C#N)C(=O)NCC1CN(CC(=O)NCC(F)(F)F)C1 1421134048 WQFWIFVZIVZFEX-QMMMGPOBSA-N 306.288 -0.127 30 20 DBED COC[C@@H](OC)C(=O)N1CCC2(CN(C(=O)[C@@H](C)C#N)C2)C1 1428606666 RBJVWXVHXIRXTF-NWDGAFQWSA-N 309.366 -0.132 30 20 DBED COCCN(CCNC(=O)C[C@H]1CCC(=O)N1)C(=O)[C@H](C)C#N 1444972240 FKJDLYVTPGQIBO-VXGBXAGGSA-N 324.381 -0.594 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C)C(=O)[C@@H]1CCCCS1(=O)=O 1449199741 YUVORAHBXVQUHM-QWRGUYRKSA-N 315.395 -0.312 30 20 DBED C[C@@H](CNC(=O)c1ccc(C#N)[nH]1)CNC(=O)[C@@H]1COCCO1 1451511568 WWYVGPWDXKIALK-GWCFXTLKSA-N 320.349 -0.216 30 20 DBED CCC[C@H](OC)C(=O)NC[C@@H](O)CNC(=O)c1cc(C#N)c[nH]1 1452340212 ZIAQZCOKDLHMAO-AAEUAGOBSA-N 322.365 -0.092 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C)C(=O)c1cnc2[nH]nnc2c1 1455436965 XQSFIIXIDKOALM-QMMMGPOBSA-N 301.310 -0.299 30 20 DBED N#CCCN(CC1CC1)C(=O)Cn1cc(C#N)c(O)nc1=O 1464922132 XGAZZVRQVGRCBX-UHFFFAOYSA-N 301.306 -0.027 30 20 DBED CC(=O)NCC(=O)N1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 1493808275 KOAWIQBJOMQNTK-NSHDSACASA-N 303.322 -0.647 30 20 DBED Cc1nn(C)c(C)c1OCC(=O)N1CC(NC(=O)[C@H](C)C#N)C1 1498384128 LSIDLDGZLQJXIT-SECBINFHSA-N 319.365 -0.098 30 20 DBED C#CCN1CCN(c2nnc(C3(O)CCOCC3)n2C)CC1 1519688543 FQOBBHGZOKRKKF-UHFFFAOYSA-N 305.382 -0.432 30 20 DBED CCCn1nccc1C(=O)NC[C@H](O)CNC(=O)[C@H](C)C#N 1533276051 LINUGLYEXKQNQR-GHMZBOCLSA-N 307.354 -0.340 30 20 DBED CCc1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cnnn1C 1546545935 OGSQOPURPCONSX-NSHDSACASA-N 302.342 -0.254 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@H](N(C)C(=O)CNC(=O)O)C1 1573311378 NVIHRGYPAGJOOD-MNOVXSKESA-N 311.338 -0.648 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](C)N(C)c1ccc(-c2nn[nH]n2)nn1 1573576847 KHDVLUPETOLNDM-IUCAKERBSA-N 315.341 -0.243 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CCN1C(=O)CCOCc1cnn[nH]1 1575179984 YDYSPZNIKFJONN-CMPLNLGQSA-N 320.353 -0.412 30 20 DBED CO[C@H](CNc1cnc(-c2nn[nH]n2)c(C#N)n1)[C@@H]1CCOC1 1579595096 WNSAZWNFYGDLEU-PSASIEDQSA-N 316.325 -0.008 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N[C@H]1CC=C(C(=O)O)C1 1588390212 OAEOQBMSJQRGPS-RYUDHWBXSA-N 308.334 -0.179 30 20 DBED C#CCOc1ccccc1CNC(=O)C(=O)NC[C@H](F)C(=O)O 1588504239 OGEDFCYHWUGRQX-NSHDSACASA-N 322.292 -0.146 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C)/C=C/C(=O)O)C1=O 1588832431 NOKMSRGBAGXIKM-ZJELKQJVSA-N 309.278 -0.891 30 20 DBED Cn1nnc(CSc2nc(N)c(-c3nn[nH]n3)cc2C#N)n1 1592609050 JNWVAQXRAVIFNL-UHFFFAOYSA-N 315.326 -0.469 30 20 DBED N#Cc1cc(C(=O)N(CCN2CCOCC2)CC(=O)O)c[nH]1 1601084887 ORTCOAPGOWBGBC-UHFFFAOYSA-N 306.322 -0.255 30 20 DBED N#Cc1ccc(S(=O)(=O)NC[C@H]2CCO[C@H]2C(=O)O)nc1 1601111587 JPOFEUVSCOKLFO-MWLCHTKSSA-N 311.319 -0.279 30 20 DBED N#Cc1cn(CCNC(=O)CCCCC(=O)O)c(=O)nc1O 1601129060 JWPWEMUGVCKTTA-UHFFFAOYSA-N 308.294 -0.418 30 20 DBED C#CCN(CC(=O)O)S(=O)(=O)C[C@H](OC)[C@@H]1CCOC1 1602699712 ZRXKRYPTQWGRRD-MNOVXSKESA-N 305.352 -0.613 30 20 DBED C=CCN1CCC(NC(=O)Cn2cnc(-c3nn[nH]n3)n2)CC1 1609057282 IYNHCSBDSXURRN-UHFFFAOYSA-N 317.357 -0.775 30 20 DBED C=CCOC[C@H](NC(=O)[C@@H]1CCCCS1(=O)=O)C(=O)O 1609432182 IKVDMBICJZIPBU-UWVGGRQHSA-N 305.352 -0.274 30 20 DBED C#CCO[C@@H](C)C(=O)NCCCN1CCN(C[C@@H](C)O)CC1 1752344107 WLEUISIXSZRVHV-CABCVRRESA-N 311.426 -0.471 30 20 DBED C#CCN1CCC[C@@H]([C@H](C)NC(=O)Cn2c(O)nnc2O)C1 1752839948 FXJXNWWYRZIFLF-WDEREUQCSA-N 307.354 -0.461 30 20 DBED C#CCNC(=O)CN[C@@H](C)CNC(=O)c1ccn(CC(C)C)n1 1752876563 BLANFTMALWZQTQ-ZDUSSCGKSA-N 319.409 -0.004 30 20 DBED C=C(C)CCN[C@@H](C)CNC(=O)CN1CCS(=O)(=O)CC1 1752917047 DQRFPNLVXQKWQG-ZDUSSCGKSA-N 317.455 -0.223 30 20 DBED C#CCNC(=O)CNCC1(NC(=O)CN2CCCC2)CCCC1 1753511634 JXVBJQIZTZIWOV-UHFFFAOYSA-N 320.437 -0.150 30 20 DBED CC#CCNC[C@H](C)N(C)C(=O)C[C@]1(C)CCS(=O)(=O)N1 1753723940 QQMDZFVRRZLXBV-JSGCOSHPSA-N 315.439 -0.082 30 20 DBED CCN(CCNCC(=O)NCC#N)C(=O)[C@@H]1CCC[C@@H]1OC 1754053526 VPCQZLJAGXAPGE-OLZOCXBDSA-N 310.398 -0.121 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@H]1CNC(=O)c1cccnn1 1754498591 XQNYWNIVIAFRMX-NEPJUHHUSA-N 301.350 -0.581 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC[C@H]1CNCCN1CCNC1=O 1754609774 OKIOJSCWPPNLNE-KGLIPLIRSA-N 322.409 -0.370 30 20 DBED CC(C)C#CC(=O)N[C@@]1(CO)CCCN(Cc2nc(O)n[nH]2)C1 1754854200 OIPCIQSIACPAJC-HNNXBMFYSA-N 321.381 -0.387 30 20 DBED Cn1cnnc1COCC(=O)N1CC[C@@H](CCNCC#N)C1 1754938144 QDFPVDOEEUOEMA-GFCCVEGCSA-N 306.370 -0.317 30 20 DBED C#CCCN1CCOC[C@H]1CNC(=O)C(C)(C)S(C)(=O)=O 1754971887 CAXVWSXSXPSYPB-GFCCVEGCSA-N 316.423 -0.350 30 20 DBED C=CCCCN[C@@H](C)[C@@H](C)NC(=O)Cn1ccc(=O)n(C)c1=O 1755237066 NAXGNBALAPPEQL-QWHCGFSZSA-N 322.409 -0.004 30 20 DBED CCNC(=O)CN[C@H](C)[C@@H]1CN(C(=O)C#CC(C)C)CCO1 1755441747 JUVRGZMDNYJCHD-KGLIPLIRSA-N 309.410 -0.013 30 20 DBED COCC#CCN[C@H](CO)CNC(=O)c1noc2c1COCC2 1755648150 ZBMCUJBONZTFLD-NSHDSACASA-N 323.349 -0.923 30 20 DBED C=CCNC(=O)CN[C@H]1C[C@@H](C)N(C(=O)c2nnn(C)c2C)C1 1755672685 KYMCZFMUBPEZDQ-PWSUYJOCSA-N 320.397 -0.382 30 20 DBED C=C(C)CCN(C)C[C@@H](O)CN(C)C(=O)CS(C)(=O)=O 1755798569 WWBMKMCFAYCPQA-GFCCVEGCSA-N 306.428 -0.252 30 20 DBED C=CCC1(C(=O)NC2(CCO)CN(C(=O)C(N)=O)C2)CCCC1 1756084990 QZMVGVODMMFVPT-UHFFFAOYSA-N 323.393 -0.312 30 20 DBED CO[C@@H]1CN(C(=O)[C@@H]2COC(=O)N2)C[C@H]1NC(=O)C#CC(C)C 1757127566 KZYGSJYPVJHMCY-GRYCIOLGSA-N 323.349 -0.904 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@H](NC(=O)[C@@H]2CCN(C)[C@@H]2C)C1 1757177689 OWGCFBLVOYPWGT-SYQHCUMBSA-N 309.410 -0.019 30 20 DBED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnn(C)c3)[C@H]2C1 1786037274 IOSGOWFSSKPONM-UBHSHLNASA-N 316.361 -0.353 30 20 DBED C#CC(=O)N1CC2(CCCN2C(=O)C(C)(C)CNC(C)=O)C1 1841682533 XACJIRASNYTEAW-UHFFFAOYSA-N 305.378 -0.015 30 20 DBED C#CCCCNC(=O)N1CCN(C(=O)CN2CCOCC2)CC1 174098517 SVBPYJFQTJZYRG-UHFFFAOYSA-N 322.409 -0.414 30 20 DBED Cn1cc(CCCNc2c(C#N)c(=O)n(C)c(=O)n2C)cn1 263772566 TYBDGJRJLIYVLL-UHFFFAOYSA-N 302.338 -0.266 30 20 DBED N#C[C@@H]1CN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CCO1 264456626 DWMFBIMEOWQTQL-MRVPVSSYSA-N 312.307 -0.029 30 20 DBED N#C[C@H]1COCCN1C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 266067830 HULYKZBYWQCZEY-NSHDSACASA-N 322.346 -0.765 30 20 DBED C=CCS(=O)(=O)CCNC(=O)NCCN1CCSCC1 272795734 BPHZLDMIOKQYTE-UHFFFAOYSA-N 321.468 -0.065 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@H](CC)COC)C1=O 284188820 QWYBHMLMXRPIAT-VXGBXAGGSA-N 311.382 -0.227 30 20 DBED COCC[C@H](NS(=O)(=O)c1ccc(C#N)nc1)C(=O)OC 289891659 MVYBCMAMNGPJPV-NSHDSACASA-N 313.335 -0.190 30 20 DBED COc1nccc(N/C(O)=N/[C@@H](C)C(=O)N2CCOCC2)n1 328758084 VOGSFEMSFTZVNP-VIFPVBQESA-N 309.326 0.058 30 20 DBED CS(=O)(=O)C1(C/N=C(/O)N2CCO[C@@]3(CCOC3)C2)CC1 330027369 MZIQENWWWQRABA-LBPRGKRZSA-N 318.395 -0.031 30 20 DBED C=C[C@@](C)(CCOC)C(=O)N1CCN(S(N)(=O)=O)CC1 331028579 WZYPPQUINAGBKB-LBPRGKRZSA-N 305.400 -0.437 30 20 DBED CC#CCCNC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C 353939637 OWRVIPDJBBAPPU-UHFFFAOYSA-N 300.318 -0.225 30 20 DBED N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2cnc[nH]2)cc1 354440781 BTCXHOGNKNCROJ-UHFFFAOYSA-N 319.346 -0.124 30 20 DBED C=C[C@H](CO)NC(=O)C(=O)Nc1cccnc1-n1cccn1 354672755 QSPNLQINYZVWEE-SNVBAGLBSA-N 301.306 -0.131 30 20 DBED C=CCOC[C@H](NS(=O)(=O)c1cn(C)cn1)C(=O)OC 360601929 YUXZPAVDCTZQPK-VIFPVBQESA-N 303.340 -0.557 30 20 DBED Cn1c(NC[C@H]2CN3CCC[C@@H]3CO2)c(C#N)c(=O)n(C)c1=O 365590939 VWIHNQQNYYJNNN-MNOVXSKESA-N 319.365 -0.769 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@@H]1CCCS(=O)(=O)C1 407954204 FQTAJLVNYOSQAO-WDEREUQCSA-N 323.440 -0.120 30 20 DBED C=CC(C)(C)CNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 452775686 IITJVRSBAVIWGA-UHFFFAOYSA-N 319.365 -0.238 30 20 DBED C#CCNC(=O)CN1CCN(CCC(=O)N2CCCCC2)CC1 491165666 MSFOFECVWCFHPY-UHFFFAOYSA-N 320.437 -0.244 30 20 DBED C=CCN(CCOC)C(=O)C(=O)NC1CCN(CC#N)CC1 588126039 YDNKRKHWCBIUDC-UHFFFAOYSA-N 308.382 -0.248 30 20 DBED N#CCN1CCC(NC(=O)C(=O)N2CCOC[C@@H]2C2CC2)CC1 588126898 UTRHTORXRQDXOL-CQSZACIVSA-N 320.393 -0.272 30 20 DBED C=CCn1cc(C(=O)NCCn2cc(C(=O)OC)nn2)nn1 592629205 DUHBNJWJAXLWCS-UHFFFAOYSA-N 305.298 -0.728 30 20 DBED C=C(C)CN(CC)C(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 595989646 SNTXBXBMNCUORN-RYUDHWBXSA-N 308.382 -0.819 30 20 DBED COC(=O)CN(CC#N)C(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1 599537496 OICGRWAKSTZTQX-JTQLQIEISA-N 319.321 -0.702 30 20 DBED COC(=O)NCCC(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[nH]1 736938251 RUCJTTOFLYPRGX-UHFFFAOYSA-N 305.258 -0.854 30 20 DBED N#Cc1cccc(CNC(=O)CN2CCO[C@H](C(=O)O)C2)c1 738435070 TXHOPRRYVLNYBY-ZDUSSCGKSA-N 303.318 -0.040 30 20 DBED COC(=O)CN(CC#N)CCc1ccc(S(N)(=O)=O)cc1 749156047 PEVPKIFQAHUODD-UHFFFAOYSA-N 311.363 -0.125 30 20 DBED C=C(Cl)CNC(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1 755380186 HUQLDZSTJCSWSE-MRVPVSSYSA-N 306.775 -0.044 30 20 DBED Cc1ncc(CO)c(C=NNc2ccc(C(N)=O)nn2)c1O 756831419 JRUUFGLFIDNUAG-UHFFFAOYSA-N 302.294 -0.077 30 20 DBED C#CCNS(=O)(=O)N1CCN([C@H](CC)C(=O)OC)CC1 761027846 AQLUEGDWWSDNOS-LLVKDONJSA-N 303.384 -0.977 30 20 DBED COC(=O)C[C@]1(NC(=O)Cn2cnc(C#N)n2)CCCOC1 771656605 OIXKXLJTAAWTQI-CYBMUJFWSA-N 307.310 -0.622 30 20 DBED C#CCNS(=O)(=O)N1CCN(Cc2ccc(OC)cn2)CC1 775998437 GCFROAYOUJWDEF-UHFFFAOYSA-N 324.406 -0.325 30 20 DBED CS(=O)(=O)N1CC(CNC(=O)COc2cccc(C#N)c2)C1 777985871 XZIOKGMDENNPJV-UHFFFAOYSA-N 323.374 -0.055 30 20 DBED C#CCOCCNS(=O)(=O)C1CN(C(=O)C2CCCC2)C1 784457039 FEMRYDNMNOAFEX-UHFFFAOYSA-N 314.407 -0.043 30 20 DBED C#CCOCCNC(=O)C(=O)Nc1cc(C(N)=O)ccc1C 785163908 FOQJCQJJOVLNCS-UHFFFAOYSA-N 303.318 -0.202 30 20 DBED C#CCC[C@@H](O)CNC(=O)N[C@@H]1CCc2nc(COC)nn2C1 798435849 BEKHYFDYWVUGFU-VXGBXAGGSA-N 321.381 -0.187 30 20 DBED N#Cc1ncn(CC(=O)Nc2cc(-c3nn[nH]n3)ccc2O)n1 822845948 JOFRQFWPDKNIAP-UHFFFAOYSA-N 311.265 -0.326 30 20 DBED N#C[C@H]1COCCN1C(=O)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 826380618 HUTWLPVFARJXAQ-RYUDHWBXSA-N 314.305 -0.349 30 20 DBED C#CCO[C@@H](C)C(=O)NCCNS(=O)(=O)c1cccnc1 827143031 ZCCYZZMTPHMFBX-NSHDSACASA-N 311.363 -0.486 30 20 DBED C=CCn1cc(C(=O)O[C@H]2CCN(CCC(=O)OC)C2=O)nn1 849814609 FIPWUQVSGAAOSP-NSHDSACASA-N 322.321 -0.215 30 20 DBED C=CCn1nnn(CN2CC[C@@H](CS(N)(=O)=O)C2)c1=S 902522363 BWXJFOVFNITQTL-SECBINFHSA-N 318.428 -0.437 30 20 DBED C#CCN1CCN(C(=O)CN2CCC[C@H]2c2nc[nH]n2)CC1 931133755 GFYDQQFSJYPUQL-ZDUSSCGKSA-N 302.382 -0.281 30 20 DBED O=C(CN1CCCNC1=O)N[C@@H]1CCN(C(=O)C#CC2CC2)C1 941467217 YVFKLKVIPVSIER-CYBMUJFWSA-N 318.377 -0.468 30 20 DBED COc1nc(C(=O)NC[C@H]2CN(C(=O)[C@@H](C)C#N)CCO2)co1 944683060 ZBWDYUSPPGVLFT-UWVGGRQHSA-N 322.321 -0.200 30 20 DBED CC#CCN1CC[C@H](NC(=O)CN2C(=O)CN(C)C2=O)C[C@H]1C 948010309 AASZVLLXWZTAPC-OLZOCXBDSA-N 320.393 -0.127 30 20 DBED C#CCN1CCOC2(CCN(C(=O)[C@H]3CCC(=O)N3)CC2)C1 949323094 SYQJGFJFFFEUEE-CYBMUJFWSA-N 305.378 -0.408 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]1CNC(=O)c1nccnc1C(N)=O 949880206 IRUYMMGRQRJEDL-BDAKNGLRSA-N 316.321 -0.934 30 20 DBED CC#CCN1CC(N(CC)C(=O)c2cc(=O)n3[nH]cnc3n2)C1 957134333 HRWVQCZUOFAVIZ-UHFFFAOYSA-N 314.349 -0.413 30 20 DBED C=CCN1C[C@@H](O)[C@@H](CNC(=O)c2ccnc3[nH]nnc23)C1 958249253 SOIZGNCNEJKRMK-GXSJLCMTSA-N 302.338 -0.439 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](NC(=O)Cn2cnnc2O)[C@H](C)C1 958368524 SDDXOJBSPQKGHJ-OPRDCNLKSA-N 306.326 -0.894 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cn2cccn2)C1 958509689 HVHHQUJONRSPJM-WOPDTQHZSA-N 305.338 -0.927 30 20 DBED C#Cc1cncc(C(=O)N(C)[C@H]2CN(C(=O)C(F)F)C[C@@H]2O)c1 958955717 PXUCYJABKQRSGH-RYUDHWBXSA-N 323.299 -0.028 30 20 DBED CC(C)Cn1[nH]c(CC(=O)NC2[C@@H]3CN(CC#N)C[C@@H]23)cc1=O 960864108 JPHATCNJUMPWCU-CHWSQXEVSA-N 317.393 -0.055 30 20 DBED CC#CCN1CC[C@H](C)[C@H](NC(=O)c2cn(C)c(=O)nc2O)C1 968644016 VSHYZQHPFYLRQK-WCQYABFASA-N 318.377 -0.051 30 20 DBED C#CCCN1CCO[C@]2(CCN(C(=O)[C@H]3CCCNC3=O)C2)C1 972419331 CZXVTQDVPINFQI-WMLDXEAASA-N 319.405 -0.161 30 20 DBED Cn1ncc(C(=O)N[C@H]2C[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)n1 973144172 HELGDFXRRMAWNP-MGCOHNPYSA-N 313.321 -0.294 30 20 DBED Cc1nnc(CC(=O)N[C@H]2[C@@H]3CN(C(=O)[C@H](C)C#N)C[C@@H]32)o1 976454614 NAOGONMYZSJPHC-PZWLIILKSA-N 303.322 -0.347 30 20 DBED C#Cc1cncc(C(=O)NC[C@H]2C[C@H](NC(=O)C(N)=O)C2)c1 980474324 QERWMYDELBVTTR-UMSPYCQHSA-N 300.318 -0.827 30 20 DBED Cc1nc(CC(=O)NC2CN(C(=O)c3ccc(C#N)[nH]3)C2)n[nH]1 991264380 NTLWISFROROZIA-UHFFFAOYSA-N 313.321 -0.504 30 20 DBED O=C(N[C@@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1O)c1cccnn1 991700998 AHZYWCDTEWAJDT-OCCSQVGLSA-N 314.345 -0.418 30 20 DBED C#CCN[C@@H]1CCC[C@@H]2CN(C(=O)CN3CC(=O)NC3=O)C[C@H]21 992865702 YYIAULGMZPFTCN-JHJVBQTASA-N 318.377 -0.612 30 20 DBED N#CCN[C@@H]1CCCN(C(=O)[C@@H]2CCc3nnc(O)n3C2)C1 999551882 ASAAGSKNYDWDQD-GHMZBOCLSA-N 304.354 -0.350 30 20 DBED C[C@H](C#N)C(=O)N1CCCCC[C@H]1CNC(=O)c1nnn(C)n1 1005496792 HZWMKWVEGFKIPV-MNOVXSKESA-N 319.369 -0.129 30 20 DBED C#CCN1CCC[C@H](NC(=O)c2nc(O)nc(O)c2OC)C1 1009187177 KBHMSDRWARAFJT-VIFPVBQESA-N 306.322 -0.276 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C(=O)C(C)(C)N2CCOCC2)CC1 1011551907 BGULNSNMRZEONQ-CYBMUJFWSA-N 322.409 -0.072 30 20 DBED C[C@@H]1C[C@H](NC(=O)Cn2cncn2)CN1C(=O)C#CC1CC1 1012589847 ZWELUZZRLLEUOU-YPMHNXCESA-N 301.350 -0.203 30 20 DBED N#Cc1cc(C(=O)N2C[C@H]3C(NC(=O)Cn4ccnc4)[C@@H]3C2)c[nH]1 1013337068 JZEUKPSMRREQMX-CHWSQXEVSA-N 324.344 -0.030 30 20 DBED C[C@H]1[C@@H](NC(=O)C(N)=O)CCCN1C(=O)c1cc(C#N)c[nH]1 1015177578 IFBTYXGCYWGUMD-WPRPVWTQSA-N 303.322 -0.519 30 20 DBED C=CCN1CC[C@H](N2CC[C@H](NC(=O)[C@@H]3[C@H]4COC[C@H]43)C2)C1=O 1015568281 NZKNLXKDPJLKFX-SBJFKYEJSA-N 319.405 -0.144 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCN(C(=O)Cn3nccn3)C2)C1 1019363167 NGARIXGPSWERCE-LLVKDONJSA-N 302.338 -0.501 30 20 DBED C=C(Cl)CN[C@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 1019820228 BCOJAULNMPJMEX-VIFPVBQESA-N 312.761 -0.680 30 20 DBED N#CCN[C@H]1C[C@@H](NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 1022074093 KZDKSCZLGBWFCO-GARJFASQSA-N 302.338 -0.477 30 20 DBED C=CCN1CCC[C@@H](CNC(=O)c2cn(CC(N)=O)nn2)C1 1023762218 UGMXSTAOMXWFBO-NSHDSACASA-N 306.370 -0.609 30 20 DBED C#Cc1cncc(C(=O)NC2CN([C@@H](C)C(=O)N(C)C)C2)c1 1030928479 VJVJUBCMEGEAAU-NSHDSACASA-N 300.362 -0.046 30 20 DBED C#CCCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1cn(CCOC)nn1 1037397206 WTKDOZIQGTVYRW-KWCYVHTRSA-N 303.366 -0.250 30 20 DBED C=CCCn1cc(C(=O)NC[C@@H]2CCN2[C@H](C)C(=O)NC)nn1 1038788826 CDUSPNQEOSUJFH-NEPJUHHUSA-N 320.397 -0.207 30 20 DBED Cc1n[nH]cc1C(=O)NC[C@]1(O)CCN(C(=O)[C@H](C)C#N)C1 1040464086 NZFZLNYGPAAFNO-YMTOWFKASA-N 305.338 -0.429 30 20 DBED C#CCN1CC[C@@]2(CCN(C(=O)[C@@H]3CCS(=O)(=O)C3)C2)C1 1041450250 CHGAKIIANDOPHG-UKRRQHHQSA-N 310.419 -0.021 30 20 DBED CN1CC(=O)N(CC(=O)N2CC[C@H]3CCN(CC#N)[C@@H]3C2)C1=O 1042346899 XWRFHHBQZMDQEF-VXGBXAGGSA-N 319.365 -0.673 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)[C@@H]2[C@H]3CCC[C@H]32)C1 1042398448 ZANCMVFXKOGYDJ-NHAGDIPZSA-N 320.389 -0.238 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)[C@H](COC)OC)C1 1046236874 MEQKZZKJYRROMM-NSHDSACASA-N 300.355 -0.697 30 20 DBED C[C@H](NCc1nnn(C)n1)[C@H]1CCN(C(=O)C#CC2CC2)C1 1047850585 ZRTXXONBRBBFMQ-AAEUAGOBSA-N 302.382 -0.050 30 20 DBED C#CCOCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2ncc[nH]2)C1 1048794370 TXLBXVWDHUUBHD-RYUDHWBXSA-N 320.349 -0.907 30 20 DBED C=CCCOCC(=O)N(C)[C@H]1CN(C(=O)[C@@H](C)OC)C[C@@H]1O 1049007801 RJIDZRVMJCDTIV-AGIUHOORSA-N 314.382 -0.356 30 20 DBED CC#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2nc[nH]n2)C1 1049196046 DDTVRVJWZWYESM-RYUDHWBXSA-N 319.365 -0.358 30 20 DBED CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)CN1C(=O)CNC1=O 1049885423 NGILLZXFQOGFEN-CHWSQXEVSA-N 318.377 -0.373 30 20 DBED N#CCN1CCOC[C@@H]1CNC(=O)c1c[nH]nc1[C@@H]1CCOC1 1051046834 VKEVREMRJWDQDW-NEPJUHHUSA-N 319.365 -0.132 30 20 DBED C=CCCn1cc(C(=O)NC[C@H]2COCCN2CCCO)nn1 1051156972 CXXCSKUKDCJELK-ZDUSSCGKSA-N 323.397 -0.333 30 20 DBED C=CCN1CCOC[C@@H]1CNC(=O)c1cncc(C(N)=O)c1 1051248946 BUPQYDMBJJGNLC-ZDUSSCGKSA-N 304.350 -0.203 30 20 DBED CC#CCN1CCOC[C@H]1CNC(=O)[C@@H]1CCCN1C(N)=O 1051268763 NELOSRIDEHHKJX-OLZOCXBDSA-N 308.382 -0.630 30 20 DBED CC1(C)C[C@H](NC(=O)C(N)=O)CCN(c2nccnc2C#N)C1 1051376170 CMJKAZBUNOVGRT-SNVBAGLBSA-N 316.365 -0.055 30 20 DBED C#CCN1CCN([C@H]2CCN(C(=O)c3[nH]c(O)nc3C)C2)CC1 1052041883 URTNBZOGENJMPL-ZDUSSCGKSA-N 317.393 -0.111 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)c1cc(C(N)=O)co1)CCO2 1053425013 SYXIHTZKMUGUTH-UHFFFAOYSA-N 317.345 -0.071 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)[C@@H]3CN(CC)CCO3)CO2)C1 1054014758 QSSSFNRTGLAGFT-GJZGRUSLSA-N 321.421 -0.310 30 20 DBED C=CCO[C@H](C)C(=O)N1C[C@@H]2CN(C(=O)CC(N)=O)C[C@@H]2C1 1055264200 FZTMYHXYYJVLJU-UTUOFQBUSA-N 309.366 -0.630 30 20 DBED C=CCn1cc(C(=O)N2CCC[C@](CO)(NC(C)=O)C2)nn1 1055674637 UKGQXEDWXITGOS-AWEZNQCLSA-N 307.354 -0.433 30 20 DBED CNC(=O)CC(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@H](C)C#N 1056363148 IHZVGKSYWXFGTH-UTUOFQBUSA-N 306.366 -0.126 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)C(C)(C)C(N)=O 1057445147 JSLZLDMRYUSPLK-UHFFFAOYSA-N 311.382 -0.762 30 20 DBED Cc1nc(C)c(C(=O)NCCN(CCO)C(=O)C#CC2CC2)[nH]1 1057535926 IACZOPIKIJBRNE-UHFFFAOYSA-N 318.377 -0.009 30 20 DBED C=C(C)CCC(=O)NCCN(CCO)C(=O)CC(=O)N(C)C 1057622828 NFKXVMMWBZUHQE-UHFFFAOYSA-N 313.398 -0.242 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)N(CCO)CCNC(C)=O 1057862532 YVSMLSMMJWWWPG-UHFFFAOYSA-N 314.386 -0.793 30 20 DBED C=CCCOCC(=O)N(CCO)CCNC(=O)c1ncc[nH]1 1057918964 GZLFCEVUFUBONY-UHFFFAOYSA-N 310.354 -0.447 30 20 DBED C=CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)c1cc[nH]n1 1057921830 QOOGUOJGOOONRI-NSHDSACASA-N 310.354 -0.449 30 20 DBED CN1CCOC[C@@H]1C(=O)N[C@H]1CCN(c2ccc(C#N)nc2)C1 1058318889 IHANBZWMYRGXGS-DZGCQCFKSA-N 315.377 -0.021 30 20 DBED N#Cc1cncc(N2CC[C@@H](NC(=O)Cn3ccccc3=O)C2)n1 1058367386 MHYOPVDYHLERQY-GFCCVEGCSA-N 324.344 -0.095 30 20 DBED N#Cc1cncc(N2CC[C@H](NC(=O)[C@@H]3CCC(=O)NC3)C2)n1 1058594070 HQODIHVPBZROMX-MNOVXSKESA-N 314.349 -0.431 30 20 DBED N#Cc1nc(=N[C@H]2CCN(C(=O)[C@@H]3CCC(=O)N3)C2)cc[nH]1 1058935732 RUYZPDSMUWRUHR-UWVGGRQHSA-N 300.322 -0.938 30 20 DBED N#Cc1ccc(N[C@H]2C[C@H](NC(=O)[C@@H]3CNC(=O)N3)C2)nn1 1059391751 IUBDFBNLWWFKAJ-GUBZILKMSA-N 301.310 -0.911 30 20 DBED C[C@@H](C#N)C(=O)NCC[C@@H]1CCN(C(=O)Cc2nc[nH]n2)C1 1060428275 FOJAZIPAQUSYPL-WDEREUQCSA-N 304.354 -0.138 30 20 DBED C=CCOCCCC(=O)N1CC2(CCN(C(=O)C(N)=O)CC2)C1 1060966053 LLFVAVGTTJAJIW-UHFFFAOYSA-N 323.393 -0.095 30 20 DBED C=CCO[C@H](C)C(=O)N1CCOC[C@@H]1CNC(=O)CCOC 1061169114 WAHRTYBZHYKRTL-OLZOCXBDSA-N 314.382 -0.042 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCOC[C@H]1CNC(=O)COCC=C 1061423284 GZSXJSLMJUUZPP-UONOGXRCSA-N 324.377 -0.429 30 20 DBED O=C(C#CC1CC1)NC[C@H]1COCCN1C(=O)c1ncccn1 1061572118 OQZSHATVOZJCOV-ZDUSSCGKSA-N 314.345 -0.153 30 20 DBED N#Cc1nccnc1N1CC[C@H](CNC(=O)[C@@H]2CCC(=O)N2)C1 1061625990 BHTIUDKVSZSDMZ-MNOVXSKESA-N 314.349 -0.431 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)COCC1CC1 1061845190 DRLCDDHGIWOAHF-YPMHNXCESA-N 309.366 -0.084 30 20 DBED N#Cc1cncc(NC[C@H]2CCCN2C(=O)[C@@H]2CCNC2=O)n1 1063539466 VSDVTIAPHQZCAX-VXGBXAGGSA-N 314.349 -0.113 30 20 DBED C[C@H](Nc1nccnc1C#N)[C@H]1CCCN(C(=O)C(N)=O)C1 1063904768 PQUNARPGAGCMQB-UWVGGRQHSA-N 302.338 -0.127 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H]1CN(C(=O)COCC)CCO1 1064807331 XSLVVMCWFVENGB-STQMWFEESA-N 312.366 -0.595 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CN(C(=O)c2cnsn2)CCO1 1064909627 PKBXVGPAPBQSSQ-DTWKUNHWSA-N 309.351 -0.345 30 20 DBED CC(C)C#CC(=O)N1CCO[C@@H](CNC(=O)C(C)(C)C(N)=O)C1 1065128701 IEKKUMNRXONISU-LBPRGKRZSA-N 323.393 -0.499 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(C(=O)c2ncccn2)CCO1 1065515695 XCUKTWAJFGZKBE-ZDUSSCGKSA-N 314.345 -0.153 30 20 DBED CN(C(=O)c1cn[nH]c1)[C@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1065567042 IPXZIVPRXATMSK-QWRGUYRKSA-N 313.321 -0.607 30 20 DBED C=C1CCC(C(=O)N2CCO[C@@H](CNC(=O)CC(N)=O)C2)CC1 1065576210 NGBQVHVJNLIPSI-ZDUSSCGKSA-N 323.393 -0.048 30 20 DBED N#Cc1cnccc1N1C[C@H](CNC(=O)c2cn[nH]c2)[C@@H](O)C1 1067650584 AWEUGJADTAZQLO-JSGCOSHPSA-N 312.333 -0.097 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1COC2(C1)CN(C(=O)CC)C2 1068819495 JWRYSGPINVANOF-NSHDSACASA-N 307.350 -0.978 30 20 DBED C[C@@H]1[C@@H](Nc2cncc(C#N)n2)CCN1C(=O)Cn1ncnn1 1068902397 YHKDODSQCCHIPR-KOLCDFICSA-N 313.325 -0.564 30 20 DBED CCCN(C)CC(=O)N[C@H]1COC2(C1)CN(C(=O)[C@@H](C)C#N)C2 1068939394 DJBQHTPXIOZZPD-QWHCGFSZSA-N 322.409 -0.026 30 20 DBED Cc1nn[nH]c1C(=O)NCc1cnn2c1CN(CC#N)CC2 1069869959 LKQRRGKUTQVOTK-UHFFFAOYSA-N 300.326 -0.421 30 20 DBED C=CCCN1CCn2ncc(CNC(=O)c3nnn(C)n3)c2C1 1069870740 PQFAJYBTYMHCRW-UHFFFAOYSA-N 316.369 -0.272 30 20 DBED C#CCN1C[C@@H](NC(=O)CN2CCCS2(=O)=O)CC[C@H]1C 1071549816 UKSMICMMOJTKJC-OLZOCXBDSA-N 313.423 -0.376 30 20 DBED C#CCCCC(=O)N1CCC(C)(NC(=O)Cn2ncnn2)CC1 1072986629 DYBHAAYLDUZYRC-UHFFFAOYSA-N 318.381 -0.026 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)c3cn(CC)nn3)C[C@H]21 1074370507 BIVYFCIRPSMCPK-KGLIPLIRSA-N 303.366 -0.154 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)[C@@H]1CCCN1C 1075940908 GUIWSEKOHWYPCS-STQMWFEESA-N 322.409 -0.769 30 20 DBED C#CCOCCC(=O)N[C@@H](C)CCNC(=O)[C@@H]1COC(=O)N1 1076346112 VIURQUXOLRQADF-QWRGUYRKSA-N 311.338 -0.854 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2cn3c(n2)C[C@H](OC)CC3)C1 1077218142 SHKNJTAWRMIOOA-YRGRVCCFSA-N 318.377 -0.748 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2nnc(O)c3ccccc23)C1 1078054547 ITHABRVHOKFJJX-CHWSQXEVSA-N 312.329 -0.257 30 20 DBED C[C@@H](CCNC(=O)[C@@H](C)C#N)NC(=O)c1ccc(C(N)=O)cn1 1078135194 SWMXMGIRPUGZEV-UWVGGRQHSA-N 317.349 -0.035 30 20 DBED Cn1cnc(C(=O)N[C@@H]2C[C@@H](NCC#N)C23CCC3)cc1=O 1078649804 OFWOXFNPRFGCJR-VXGBXAGGSA-N 301.350 -0.066 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CN([C@H]3CCNC3=O)C[C@H]2C)nn1 1080580002 DGGVVIZHGLQOLY-WZRBSPASSA-N 318.381 -0.597 30 20 DBED C=CCCC(=O)N1CCC(CO)(NC(=O)c2cnnn2C)CC1 1080839226 BZCDGIGABKNSKM-UHFFFAOYSA-N 321.381 -0.135 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@H](CNC(=O)CN(C)C(C)=O)C1 1081289936 QWDLTXFKSZKUCS-KGLIPLIRSA-N 323.393 -0.796 30 20 DBED C=CCCOCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2cc[nH]n2)C1 1081294921 KSJWWZPLBHBBFL-DGCLKSJQSA-N 322.365 -0.449 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)c2cnn(CC)n2)C[C@H]1O 1081335781 PJBNYCZSADASGE-WCQYABFASA-N 321.381 -0.187 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)c2cn[nH]c2)C[C@H]1O 1081442412 VAWKUINGTSUGGN-QWHCGFSZSA-N 304.350 -0.238 30 20 DBED Cn1ccc(C(=O)N2C[C@H](CNC(=O)C#CC3CC3)[C@@H](O)C2)c1 1081472360 XPDAVBCJEXNATG-GJZGRUSLSA-N 315.373 -0.012 30 20 DBED C=CCC(C)(C)C(=O)NC[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1O 1081491861 SDIXHGPVXRAIFE-GHMZBOCLSA-N 321.381 -0.044 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2ccn(C)n2)C1 1081496385 JMBVLUMJJXHQGC-DGCLKSJQSA-N 322.365 -0.828 30 20 DBED C=CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CN1C(=O)CCC1=O 1083270136 ONGJILDVTOQFQJ-QWHCGFSZSA-N 321.377 -0.377 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2cc(N3CCCC3)ncn2)C1 1083779891 YLOJBARLPWCWQP-OLZOCXBDSA-N 316.365 -0.625 30 20 DBED C#CCN[C@@H]1CCCCCN(C(=O)Cn2c(O)nnc2O)C1 1088418017 DLNRWXDCDNNILM-LLVKDONJSA-N 307.354 -0.317 30 20 DBED CNC(=O)NCC(=O)N1CC[C@H](Nc2ccc(C#N)nn2)[C@@H]1C 1090246432 WAMRHCGYBFNZLU-ONGXEEELSA-N 317.353 -0.321 30 20 DBED C=CCCN1CC[C@H](NC(=O)c2ccc3nnnn3c2)[C@@H](O)C1 1090431436 XVJWMCYIQOMDGS-STQMWFEESA-N 316.365 -0.135 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)Cn2nc(C)ccc2=O)[C@H](O)C1 1090747593 KNXXGXZOCYVOBA-UONOGXRCSA-N 320.393 -0.321 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CN(c2ncnc3c2CCC3)C[C@@H]1O 1091082506 GSHHJVFLIPRZOE-BIMULSAOSA-N 301.350 -0.209 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)CC3(O)CCC3)C2)nc1 1091098020 WEBLSYDCUSINDO-OLZOCXBDSA-N 316.361 -0.076 30 20 DBED CO[C@H](C(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@@H]1O)C1CC1 1091099996 ZELATKQTYWTXIM-DYEKYZERSA-N 317.349 -0.561 30 20 DBED C#CCNC(=O)CC(=O)N1CCN(c2nccnc2C#N)CC1 1093148733 OKUCZMKMLAQCQN-UHFFFAOYSA-N 312.333 -0.864 30 20 DBED C=C(C)CN1C[C@@H](C)[C@H](CNC(=O)c2cn(CC(N)=O)nn2)C1 1093223545 BBTAKNRLRKZIHT-VXGBXAGGSA-N 320.397 -0.363 30 20 DBED CC[C@]1(C(=O)NCCNc2nccnc2C#N)CCNC1=O 1094219051 PTXUOUDANXVLPY-AWEZNQCLSA-N 302.338 -0.207 30 20 DBED N#CCN1CC(N2C[C@H](NC(=O)CC3CCOCC3)CC2=O)C1 1094714506 XOCAMDZNUBICCZ-CYBMUJFWSA-N 320.393 -0.272 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)[C@]3(C)CCOC3)CC2=O)C1 1094801149 IVLVGBUGMZUORA-MLGOLLRUSA-N 305.378 -0.553 30 20 DBED CC(=O)N(C)CC(=O)NC1CCN(c2cnc(C#N)cn2)CC1 1095405798 ZWVVINOSJZHFDX-UHFFFAOYSA-N 316.365 -0.088 30 20 DBED CN(CCCNC(=O)[C@H]1CC[C@H]1C(N)=O)c1nccnc1C#N 1095696423 AJNOKVYGXPSUCS-MNOVXSKESA-N 316.365 -0.198 30 20 DBED CN(CCCNC(=O)[C@H]1CCNC1=O)c1ccnc(C#N)n1 1095696501 CRUROWSGDARIRG-SNVBAGLBSA-N 302.338 -0.573 30 20 DBED COC(=O)NCC(=O)N[C@@H]1CCN(c2nccnc2C#N)C1 1096323873 CDTSLNWTKMGFRK-SECBINFHSA-N 304.310 -0.601 30 20 DBED CNC(=O)CC(=O)N1[C@H]2CC[C@H]1CN(c1cncc(C#N)n1)C2 1096889981 SPZOXYKNMKFAOS-RYUDHWBXSA-N 314.349 -0.336 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1CCN(C)C(=O)C1 1097375612 RUXNBICVLOULRC-MCIONIFRSA-N 304.394 -0.885 30 20 DBED CC(=O)N[C@@H](C(=O)NC[C@H](C)N=c1cc[nH]c(C#N)n1)C(C)C 1097967931 HXTLVUVBQWBCKM-IINYFYTJSA-N 318.381 -0.153 30 20 DBED CCN1CCOC[C@H]1C(=O)NC[C@@H](C)N=c1cc[nH]c(C#N)n1 1098129152 WKEUGROXZOXJMJ-NEPJUHHUSA-N 318.381 -0.593 30 20 DBED C[C@@H](CCNC(=O)Cn1ncnn1)Nc1ccc(C#N)nn1 1099553149 KAZUNDBWSPAOGH-VIFPVBQESA-N 301.314 -0.658 30 20 DBED COC(=O)[C@@H]1C[C@@H]1C(=O)NCCN(C)c1ccnc(C#N)n1 1099961597 ZIKHOGASHYPTDC-VHSXEESVSA-N 303.322 -0.290 30 20 DBED C[C@@H](C(=O)NCCN(C)c1cncc(C#N)n1)n1cncn1 1100028312 OETUEAJZOCFWAI-JTQLQIEISA-N 300.326 -0.247 30 20 DBED CN(CCNC(=O)c1cn(C)c(=O)n1C)c1ccc(C#N)nc1 1100153654 YARGTHQQJQOMKC-UHFFFAOYSA-N 314.349 -0.143 30 20 DBED CN1C[C@@H](C(=O)NCCN(C)c2ncccc2C#N)CC1=O 1100384135 ZYTQDYDYZFKEHA-LBPRGKRZSA-N 301.350 -0.016 30 20 DBED CCN(CCNC(=O)C[C@H](C)NC(N)=O)c1ccc(C#N)nn1 1100621739 NISZZJZVWVYTED-JTQLQIEISA-N 319.369 -0.262 30 20 DBED Cc1cc(C)n(CC(=O)NCC2CC(NCC#N)C2)c(=O)n1 1100794247 MQUSRSRFZOVVEN-UHFFFAOYSA-N 303.366 -0.132 30 20 DBED C#CCN1C[C@@H](C)[C@H](CNC(=O)CN(C)S(C)(=O)=O)C1 1102017534 FJNRWHORRDWTGO-VXGBXAGGSA-N 301.412 -0.805 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](C)[C@H](CNC(=O)c2cnon2)C1 1102474892 OSJNTEQKHZZYIM-IJLUTSLNSA-N 319.365 -0.495 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1CCNC(=O)[C@H](C)C#N 1102783908 JBWZFWOUPFEERK-JHJVBQTASA-N 305.382 -0.140 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H](CC)Nc1nccc(OC)n1 1103039489 LVDRXPFFQFFJPL-LLVKDONJSA-N 319.365 -0.069 30 20 DBED N#Cc1cnccc1N1CCO[C@H](CNC(=O)CC(N)=O)C1 1104305229 KAAYRCXOYHYHSD-LLVKDONJSA-N 303.322 -0.850 30 20 DBED COC[C@H](C)C(=O)NC[C@@H]1CN(c2nccnc2C#N)CCO1 1104309748 HIHCPMDQUQAECD-NWDGAFQWSA-N 319.365 -0.048 30 20 DBED C=CCNCc1cn(C2CN(C(=O)CCCC(=O)NC)C2)nn1 1105219812 RHXULHCEFBDJEG-UHFFFAOYSA-N 320.397 -0.147 30 20 DBED Cn1cc(C(=O)N2CC(n3cc(CNCC#N)nn3)C2)nc1O 1105317366 VIYGXUNMJRDMNL-UHFFFAOYSA-N 316.325 -0.973 30 20 DBED CC(=O)N[C@@H](C)C(=O)NC[C@@H](O)CNc1ccc(C#N)nc1 1105734861 FRMVMOUHYXPOMR-ZANVPECISA-N 305.338 -0.633 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H](O)CNC(=O)C[C@@H]1CCOC1 1105760876 ZBOGZDZCJMBZDD-WCQYABFASA-N 304.350 -0.309 30 20 DBED Cc1cncc(C(=O)NC[C@@H](O)CN=c2cc[nH]c(C#N)n2)c1 1105768895 BYGAIRARMXFBKL-LBPRGKRZSA-N 312.333 -0.324 30 20 DBED N#Cc1nc(=NC[C@@H](O)CNC(=O)C[C@@H]2CCCCO2)cc[nH]1 1105789188 UEKNPIOGNLBHQJ-NEPJUHHUSA-N 319.365 -0.382 30 20 DBED C[C@@]1(C(=O)NC[C@@H](O)CN=c2cc[nH]cc2C#N)CCOC1 1105938141 BSIPQNCFLRUOLY-SWLSCSKDSA-N 304.350 -0.309 30 20 DBED N#Cc1cncc(NC[C@@H](O)CNC(=O)[C@@]2(F)CCOC2)n1 1106072483 IPGNIDTUMRNVEH-ZWNOBZJWSA-N 309.301 -0.634 30 20 DBED C[C@@H]1CN(C(=O)CN2CCCS2(=O)=O)C[C@H]1CNCC#N 1106211164 SVRRZWAUSJMUAO-VXGBXAGGSA-N 314.411 -0.770 30 20 DBED C=CCNC(=O)CNC[C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1C 1106958425 ZWGBJJYDZVLPJR-CHWSQXEVSA-N 320.397 -0.736 30 20 DBED Cc1cc(C#N)nc(NC/C=C/CNC(=O)CNC(N)=O)n1 1107069863 PBVRPVNEHQKGJK-NSCUHMNNSA-N 303.326 -0.591 30 20 DBED CC#CCN1CC(n2cc(CNC(=O)CCCC(N)=O)nn2)C1 1107241710 CXSARXMTSSTNSK-UHFFFAOYSA-N 318.381 -0.570 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@]1(C)CN(CC(=O)N2CCC2)CCO1 1107819705 TYSXMISKFSIZFV-WFASDCNBSA-N 308.382 -0.415 30 20 DBED C[C@H](C(N)=O)N1CCO[C@@](C)(CNC(=O)c2c[nH]c(C#N)c2)C1 1107883299 QEEQXHFNOOQZSO-BMIGLBTASA-N 319.365 -0.419 30 20 DBED CC#CCN1CCO[C@](C)(CNC(=O)[C@]2(C)CNC(=O)C2)C1 1108093131 QRMNYVNXLSQFIA-JKSUJKDBSA-N 307.394 -0.257 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)CN1CCCNC1=O 1108208284 BGVDYYCFNXYFNT-SNVBAGLBSA-N 317.353 -0.898 30 20 DBED C#CCNC(=O)CN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ncc[nH]1)C2 1108678872 NBWAERLNCJCIDN-XQQFMLRXSA-N 315.377 -0.258 30 20 DBED CC(C)(O)CC(=O)NC[C@H]1COCCN1c1cncc(C#N)n1 1111677966 PYZWHTBEMRIOGJ-LBPRGKRZSA-N 319.365 -0.169 30 20 DBED CNC(=O)NCC(=O)NCC1(Nc2cncc(C#N)n2)CCC1 1111920944 LQLCZKKHMTVHOM-UHFFFAOYSA-N 317.353 -0.272 30 20 DBED CO[C@@H](C)CC(=O)N1CCO[C@H](CN=c2cc[nH]c(C#N)n2)C1 1111937165 HKBSOOFKPLKZIQ-NWDGAFQWSA-N 319.365 -0.166 30 20 DBED C[C@@H](NC(=O)C1(C(N)=O)CC1)[C@@H](C)Nc1ccc(C#N)nn1 1113274298 PHDWQPLTTDKOSA-RKDXNWHRSA-N 302.338 -0.081 30 20 DBED CCn1nc(C(=O)N2CCN(CC#CCOC)CC2)ccc1=O 1113438964 RNTSCYAGYICJCB-UHFFFAOYSA-N 318.377 -0.329 30 20 DBED Cc1ocnc1C(=O)NC1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]12 1113954243 WVNQLXIQAQGPBC-NXEZZACHSA-N 303.322 -0.717 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)CCn3ccnn3)[C@H]2C1 1114187452 VUFXUSYMFVVOJE-JYAVWHMHSA-N 318.381 -0.983 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)Cc3ccn(C)n3)[C@@H]2C1 1114244389 AVNYWDALINHNBF-CHWSQXEVSA-N 317.393 -0.689 30 20 DBED C#CCO[C@H](C)C(=O)NC1[C@H]2CN(Cc3ncnn3CC)C[C@H]12 1114271376 UXBIFNHHQCLHEM-AGIUHOORSA-N 317.393 -0.117 30 20 DBED N#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)C3(CCF)CC3)[C@H]2C1 1114613377 JONWPGAEKFDOCF-PJXYFTJBSA-N 308.357 -0.188 30 20 DBED C[C@@H]1C[C@H](CN=c2cc[nH]cc2C#N)CN1C(=O)CNC(N)=O 1114663208 GSMZEANMBPYSDF-GHMZBOCLSA-N 316.365 -0.308 30 20 DBED CN(CCOCCNC(=O)CNC(N)=O)c1ccncc1C#N 1115167148 QCICULKUYGTILP-UHFFFAOYSA-N 320.353 -0.809 30 20 DBED N#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)C[C@H]3CCCOC3)[C@H]2C1 1115247629 IMASUZPROPHALC-FOCJUVANSA-N 320.393 -0.511 30 20 DBED C[C@H](NC1CC2(CC(NC(=O)[C@H](C)C#N)C2)C1)C(=O)NC(N)=O 1120859245 PQZZIARXTUOECQ-YNAHXPDKSA-N 321.381 -0.254 30 20 DBED C#Cc1ccc(NC(=O)C(=O)N2C[C@H]3C(=O)NC(=O)[C@H]3C2)cc1 1120984156 SORUCBDJDBDAFG-TXEJJXNPSA-N 311.297 -0.663 30 20 DBED Cc1cc(C#N)nc(N[C@H](CO)CNC(=O)c2ccnn2C)n1 1121179185 ZNHHJDNJWNGMII-NSHDSACASA-N 315.337 -0.407 30 20 DBED CN1CCO[C@H](C(=O)NC[C@@H](CO)Nc2ccc(C#N)cn2)C1 1121248893 FDXQXIJRFQJUOE-STQMWFEESA-N 319.365 -0.827 30 20 DBED Cn1nccc1CC(=O)NC[C@@H](CO)Nc1cncc(C#N)n1 1121412770 UUZWFCWYYDAVOJ-NSHDSACASA-N 315.337 -0.787 30 20 DBED N#Cc1nc(=N[C@H](CO)CNC(=O)[C@@H]2CCCOCC2)cc[nH]1 1121498654 XNBHVQICROBAER-NEPJUHHUSA-N 319.365 -0.524 30 20 DBED CO[C@@H](C(=O)NC[C@@H](CO)N=c1cc(C)[nH]cc1C#N)C1CC1 1121505179 KPJJIGCQIAWRKH-DZGCQCFKSA-N 318.377 -0.002 30 20 DBED C=CCn1c(-c2ncnn2C)nnc1N1CC(=O)N(C)C[C@@H]1C 1121625047 BERZLFCLIVTLEC-JTQLQIEISA-N 316.369 -0.074 30 20 DBED CC[C@@H](C(=O)NC[C@@H](CO)Nc1nccnc1C#N)N(C)C 1121811675 DZKJVRJGRLPQJA-JQWIXIFHSA-N 306.370 -0.423 30 20 DBED CN(CC(=O)NC[C@H](CO)Nc1cnc(C#N)cn1)C1CCC1 1122740435 GCEVEZCADKNHIK-GFCCVEGCSA-N 318.381 -0.278 30 20 DBED CCC(=O)N[C@H](C)C(=O)NC[C@H](CO)Nc1ccc(C#N)nc1 1122751996 DECUNBXTQDVWAS-ZWNOBZJWSA-N 319.365 -0.243 30 20 DBED CN(C[C@H](O)CNc1cnc(C#N)cn1)C(=O)CSCC#N 1124111476 HZUMDMSJPORZPQ-LLVKDONJSA-N 320.378 -0.164 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(CCO)C[C@@H]1n1ccnn1 1129477157 ZTZCZGDMNLEJRF-OLZOCXBDSA-N 309.370 -0.795 30 20 DBED C=CCNC(=O)CN1CCNC(=O)CCN(C(=O)CCC)CC1 1131318867 VAVHWVFWRDZSIU-UHFFFAOYSA-N 324.425 -0.261 30 20 DBED CC(=O)N(C)CC(=O)N1C[C@@H](C)O[C@@]2(CCN(CC#N)C2)C1 1131639324 UDKYTJVBEVQWKX-IUODEOHRSA-N 308.382 -0.320 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1ccnc2c1ncn2C 1133688432 XTDNTWNBIYLNDZ-UHFFFAOYSA-N 314.349 -0.963 30 20 DBED C=CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)CC(=O)NCC 1134142779 GSZKJQUIGBOCLC-NWDGAFQWSA-N 312.414 -0.312 30 20 DBED Cn1cc(C(=O)NCCNCC(=O)NCC#N)c(C(C)(C)C)n1 1135421095 QCTREQZDBYPNPK-UHFFFAOYSA-N 320.397 -0.323 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@@H](C)Cc1cnn(C)c1 1136015012 RPIHFJYSKRZIIH-LBPRGKRZSA-N 307.398 -0.393 30 20 DBED Cc1nccc(C(=O)N[C@@H](C)C[C@@H](C)NCC(=O)NCC#N)n1 1146383330 HZCPKLJKQKHYLW-MNOVXSKESA-N 318.381 -0.089 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)c1cc(C)on1)C2 1146958582 ILKYMOYDGQDFKX-UHFFFAOYSA-N 316.361 -0.120 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC2(CCN(Cc3nnn(C)n3)C2)C1 1147439284 ANSFEZMDUDLPBV-AWEZNQCLSA-N 320.397 -0.429 30 20 DBED C#CCNC(=O)CNCCNC(=O)Cc1ccc(OC)cc1 1148890798 QYXVSHXMCGBMOF-UHFFFAOYSA-N 303.362 -0.307 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)[C@]2(C)CCNC(=O)C2)C1 1149886820 CGRHEWDEOXBHLT-XJKSGUPXSA-N 307.394 -0.257 30 20 DBED N#CCSCC(=O)NCCCNCc1nnnn1C1CC1 1154802273 BGUBCDDSBKGYIG-UHFFFAOYSA-N 309.399 -0.139 30 20 DBED CCN(CC#CCOC)[C@H](C)CNC(=O)[C@]1(C)CCNC1=O 1155211584 UXWWIVWEQXSXID-CZUORRHYSA-N 309.410 -0.011 30 20 DBED C=CCOCC(=O)NCCCNCC(=O)NCc1cccnc1 1155724796 GBZNWNKJQNZGFK-UHFFFAOYSA-N 320.393 -0.004 30 20 DBED C=CCOCC(=O)NCCCN[C@@H](C)C(=O)NCCCOC 1155731706 FPDZHPJGPWDSCY-ZDUSSCGKSA-N 315.414 -0.174 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)c1ccc(O)nc1 1156705144 IIRAKFZUKHTDRE-LLVKDONJSA-N 319.365 -0.133 30 20 DBED C[C@H](NCCCNC(=O)c1c[nH]c(C#N)c1)C(=O)NC(N)=O 1156852632 HXWJFBDHENXNBA-QMMMGPOBSA-N 306.326 -0.821 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCCNCCN1C(=O)CCC1=O 1157201651 JHZKJPDPXBFBLS-OAHLLOKOSA-N 311.382 -0.442 30 20 DBED CN(CC#N)C[C@H]1CCCCN1C(=O)CN1CCOCC1=O 1158071787 JSPWFYDOOOGCAY-CYBMUJFWSA-N 308.382 -0.318 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)C[C@H]2CCC(=O)N2)C1=O 1168231627 KCSOEEKTQYFJOW-OLZOCXBDSA-N 322.409 -0.462 30 20 DBED C#CCNC(=O)CNCCCC[C@H](C)NC(=O)C1=COCCO1 1168971036 LKMJCKFMYVCGRO-ZDUSSCGKSA-N 323.393 -0.111 30 20 DBED C#CCNC(=O)CNCCCC[C@H](C)NC(=O)Cc1cc[nH]n1 1169937925 LEOXGZYKLKEKKD-ZDUSSCGKSA-N 319.409 -0.034 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)c1conc1COC 1170965982 FPNAYURRQMFHPU-LLVKDONJSA-N 322.365 -0.332 30 20 DBED C#CCOc1ncccc1C(=O)NCCCN[C@H](C)C(N)=O 1171548607 AFJFBIQARFRSCS-LLVKDONJSA-N 304.350 -0.323 30 20 DBED C#CCOc1ncccc1C(=O)NCCCNCCOCCO 1171549133 SFNUDZUBQUCLNW-UHFFFAOYSA-N 321.377 -0.188 30 20 DBED C#CCNC(=O)CNCCCC[C@H](C)NC(=O)C1(C(N)=O)CC1 1174997004 LNERXCXFEGTXNS-LBPRGKRZSA-N 322.409 -0.734 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H]2OCCN(CCOC)[C@H]2C1 1176982549 FNJNJIDWHQSYEA-KBPBESRZSA-N 323.393 -0.926 30 20 DBED C[C@H]1CN(C(=O)C2CC(=O)NC(=O)C2)CC[C@@H]1CNCC#N 1185283493 PZFOVSRXZDUTSO-WDEREUQCSA-N 306.366 -0.363 30 20 DBED C#CCCCC(=O)N1CC[C@H]2CN(CC(=O)NC(N)=O)C[C@H]21 1187706446 JNIYIJXFSWCJOF-NWDGAFQWSA-N 306.366 -0.483 30 20 DBED CCNC(=O)NC(=O)CN(C)[C@@H]1CCN(C(=O)[C@H](C)C#N)C1 1189389134 HNPYRFPHKKJNPM-GHMZBOCLSA-N 309.370 -0.476 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3ncccn3)[C@@H]2C1 1189491514 BNMKUPASOKHFBD-QWHCGFSZSA-N 313.361 -0.628 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](N(C)Cc2ccn(C)n2)C1 1189760420 LRIXTMHEUCYTAY-CQSZACIVSA-N 317.393 -0.408 30 20 DBED COCC#CCN(C)[C@@H]1CCN(C(=O)CN2CCCNC2=O)C1 1191136960 PVSQHMLYATWZNM-CQSZACIVSA-N 322.409 -0.416 30 20 DBED C#CCCCC(=O)N[C@@H]1CN([C@H](C)C(=O)NCC=C)C[C@H]1O 1192524604 KKPUBUHZGGPDTD-MGPQQGTHSA-N 307.394 -0.358 30 20 DBED C#CCCN(C)[C@H]1CCN(C(=O)CC[C@@H]2NC(=O)NC2=O)C1 1193905317 IHBJYICOHNMQEM-RYUDHWBXSA-N 306.366 -0.469 30 20 DBED N#CCNC(=O)CN1CCCN(C(=O)C[C@H]2CCOC2)CC1 1195382427 FHACANPEZIDGGY-CYBMUJFWSA-N 308.382 -0.413 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)CCCC#CC)C1 1195467764 UIPNERSQQAWKQV-ZIAGYGMSSA-N 305.378 -0.909 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)N2CCCC2=O)C1 1199422244 JBIFMLKWZCSQEP-UMVBOHGHSA-N 307.394 -0.572 30 20 DBED N#CCNC[C@H]1CN(C(=O)CCn2ccccc2=O)CCCO1 1200636332 YIIWDJCVGZHJAU-AWEZNQCLSA-N 318.377 -0.031 30 20 DBED C#CCNCC1CCN(C(=O)[C@@H](C)NS(=O)(=O)CC)CC1 1205362363 SQSXKMBGCBZCET-GFCCVEGCSA-N 315.439 -0.224 30 20 DBED COCC#CCNCC1CCN(C(=O)[C@@]2(C)CCNC2=O)CC1 1206260386 CGKVKJQXWUIRST-KRWDZBQOSA-N 321.421 -0.009 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)c1ccnn1C 1206429078 OMTIVCMUAVIAPM-GHMZBOCLSA-N 304.354 -0.890 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@H]1CCCN(C(=O)CNC(=O)CC)C1 1207701672 PEHMVEFUUYDUPQ-OLZOCXBDSA-N 324.425 -0.216 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCN(C(=O)C2=CCOCC2)C1 1207881587 ZSBFXJOEHHOUTO-CYBMUJFWSA-N 306.366 -0.447 30 20 DBED COCC#CCN[C@H]1CCCN(C(=O)CCn2ccnn2)C1 1207898791 WSOGIAPETMQWBA-AWEZNQCLSA-N 305.382 -0.101 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCC[C@@H](NCCN2CCNC2=O)C1 1207950370 KOGHKTYXTAUUIU-CZUORRHYSA-N 324.425 -0.081 30 20 DBED C=CCOCCN1C[C@@H](NC(=O)CCc2nc[nH]n2)[C@H](OC)C1 1212111550 GHIRBXRMAKSSRH-CHWSQXEVSA-N 323.397 -0.245 30 20 DBED C#CCC1(C(=O)N[C@@H]2CN([C@@H](C)C(N)=O)C[C@H]2OC)CCC1 1212393459 NXPJYNIZGCSHTF-YNEHKIRRSA-N 307.394 -0.131 30 20 DBED COCC#CCN1C[C@@H](NC(=O)[C@@]2(F)CCOC2)[C@H](OC)C1 1213327762 RKZQNHLBNKCKBN-UMVBOHGHSA-N 314.357 -0.420 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@@H](NC(N)=O)C(C)(C)C 1213721122 ATSFHENSWKUGJM-GMTAPVOTSA-N 311.386 -0.592 30 20 DBED C=CCCC(=O)N1CCO[C@@H]2CN([C@H]3CCC(=O)NC3=O)C[C@@H]21 1217503981 QPFVOWFXRYLHLL-RWMBFGLXSA-N 321.377 -0.331 30 20 DBED C=CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CCNC(=O)COC 1218058200 XVHNPFAVONYOCK-QWHCGFSZSA-N 311.382 -0.763 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@H](C)C2CCC2)C1 1219862560 NTPOWVGGTNIUTM-BNOWGMLFSA-N 307.394 -0.667 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H](C)C(CC)CC)C1 1219915378 ITXCSDDROGQTGL-CFVMTHIKSA-N 323.437 -0.031 30 20 DBED CC#CCCCC(=O)N[C@@H]1CN(Cc2cn(C)nn2)C[C@@H]1O 1220184305 CMOOIUKZYPFWKP-KGLIPLIRSA-N 305.382 -0.330 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C2CCC(=C)CC2)C1 1220274925 JFEMLBIFYCGIMM-CABCVRRESA-N 319.405 -0.357 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H](C)OCC=C)C1 1221141381 PLUXQAPJHWQBGW-UPJWGTAASA-N 311.382 -0.959 30 20 DBED CC#CCN1CC[C@@H]2CN(C(=O)CCNC(=O)COC)[C@@H]2C1 1221595070 QTXGHEYFFJLBMY-ZIAGYGMSSA-N 307.394 -0.305 30 20 DBED N#CCNC(=O)CN1CCC(CNC(=O)Cc2cnoc2)CC1 1224214039 DYYALAFCPVUCFK-UHFFFAOYSA-N 319.365 -0.315 30 20 DBED CC#CCN1CCC(NC(=O)CCNS(C)(=O)=O)CC1 1227645158 HUXHXVVSKBHUAR-UHFFFAOYSA-N 301.412 -0.470 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)CCc2cnn[nH]2)CC1 1229280773 NUHOUXMSASATIZ-UHFFFAOYSA-N 318.381 -0.933 30 20 DBED CCN1CCS(=O)(=O)[C@H](CCNC(=O)CSCC#N)C1 1230422094 GDMHMUSFCTYGKI-LLVKDONJSA-N 319.452 -0.132 30 20 DBED CN(C[C@H]1CCN1CC(=O)NCC#N)C(=O)[C@H]1CCCN1C 1231253962 DASOGWCKWLTQHF-CHWSQXEVSA-N 307.398 -0.747 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1C[C@@H](C)O[C@@H](C(=O)OC)C1 1261538443 NFXPDRCMUBUHAB-GMTAPVOTSA-N 314.338 -0.908 30 20 DBED C#CCNC(=O)C1CCN(S(=O)(=O)C[C@H]2CCOC2)CC1 1321247735 TTYKWBGEVIAUTI-LBPRGKRZSA-N 314.407 -0.186 30 20 DBED C#CCOCCNC(=O)C(=O)NC[C@H](C)CN1CCCCC1 1323699844 YWOYYHPQOLZGLE-AWEZNQCLSA-N 309.410 -0.009 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N1CCC[C@H](N2CCCC2=O)C1 1324239688 XKGCRPKHPYEMAX-STQMWFEESA-N 323.393 -0.083 30 20 DBED C=CCOCCNC(=O)C(=O)N1CCN(C(=O)C2CC2)CC1 1327782528 IGRBRPZEOMCCBN-UHFFFAOYSA-N 309.366 -0.614 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CC[C@@](O)(C2CC2)C1)[C@H]1CCCO1 1329626286 KUUAIWOEMHGYPX-ZENOOKHLSA-N 306.362 -0.343 30 20 DBED CS(=O)(=O)Nc1ccc(C(=O)OCC(=O)NCC#N)cn1 1331664788 IFMMAKGNQJJFJP-UHFFFAOYSA-N 312.307 -0.750 30 20 DBED N#CCCn1ccc(NC(=O)C(=O)N2CCC[C@H](CO)C2)n1 1331840895 MZHONNUJLSCCFY-NSHDSACASA-N 305.338 -0.034 30 20 DBED N#CCCn1ccc(NC(=O)C(=O)NCCn2cccn2)n1 1331842599 XYEDRFOMBJGVMI-UHFFFAOYSA-N 301.310 -0.252 30 20 DBED C[C@H](Cc1cccnc1)NC(=O)C(=O)N1CCO[C@H](C#N)C1 1333889647 REXPAIWRVQNDKK-DGCLKSJQSA-N 302.334 -0.120 30 20 DBED COC(=O)Cn1ncc(NC(=O)C(=O)NC[C@@H](C)C#N)c1C 1344442240 MGEZUETWFMQPHR-QMMMGPOBSA-N 307.310 -0.421 30 20 DBED N#CCCN(CCN1CCOCC1)C(=O)CN1C(=O)CCC1=O 1346330627 XGNZWGWZVHVACJ-UHFFFAOYSA-N 322.365 -0.790 30 20 DBED C=CCCOCCNC(=O)C(=O)N1CCC[C@@H]1C(=O)NC1CC1 1346904715 KHLGEKJKIGEARR-CYBMUJFWSA-N 323.393 -0.035 30 20 DBED CN(C[C@@H]1CCCN1C)C(=O)CCn1cc(C#N)c(O)nc1=O 1362911220 KZAIRGNAGAEIKF-LBPRGKRZSA-N 319.365 -0.237 30 20 DBED N#Cc1cn(CCNC(=O)Cc2ccc(F)cn2)c(=O)nc1O 1363481115 DQOKFQLXDGIRTF-UHFFFAOYSA-N 317.280 -0.286 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1ccc2[nH]ccc2n1 1376653346 KSESTYKVKRKSJQ-VHSXEESVSA-N 315.333 -0.071 30 20 DBED CC(=O)N1CCC[C@@H]1C(=O)NCC1(NC(=O)[C@@H](C)C#N)CC1 1389876197 UTRYCNKBSRKBPO-CMPLNLGQSA-N 306.366 -0.078 30 20 DBED C[C@@H](CNC(=O)c1ncn(C)n1)NC(=O)c1ccc(C#N)[nH]1 1392756440 ZQXJVHCWMOJNLN-QMMMGPOBSA-N 301.310 -0.437 30 20 DBED CNC(=O)NCC(=O)NC[C@@H]1CCN1C(=O)c1cc(C#N)c[nH]1 1393354629 XOFIRWXPPADJKN-JTQLQIEISA-N 318.337 -0.854 30 20 DBED CN(CCNC(=O)CN1CCCC1=O)C(=O)c1cc(C#N)c[nH]1 1397864181 COBUTUGSGUVGLB-UHFFFAOYSA-N 317.349 -0.303 30 20 DBED CC[C@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)CN(C)C(C)=O 1398947118 BCVKXZCAYJVQFG-GFCCVEGCSA-N 319.365 -0.011 30 20 DBED N#Cc1cn(CC(=O)N[C@H]2CCN3CCC[C@@H]3C2)c(=O)nc1O 1411640853 FEMZDXBSQYRWAC-NWDGAFQWSA-N 317.349 -0.436 30 20 DBED COc1c[nH]c(C(=O)N2CC(NC(=O)[C@@H](C)C#N)C2)cc1=O 1416047914 VFFGJJMOEZCTMB-QMMMGPOBSA-N 304.306 -0.516 30 20 DBED COC(=O)C1(C#N)CCN(C[C@H](O)C[C@@]2(O)CCOC2)CC1 1421808332 ICYWDKWMNVFXTG-DOMZBBRYSA-N 312.366 -0.332 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCN(C)C(=O)Cn1ccccc1=O 1431375599 SWPUFTPZGGNVKK-LBPRGKRZSA-N 304.350 -0.075 30 20 DBED CC(=O)N1CC[C@](C)(C(=O)N2CC(NC(=O)[C@@H](C)C#N)C2)C1 1432342538 QUHVYKXZLYQVIH-BONVTDFDSA-N 306.366 -0.268 30 20 DBED Cn1cc(NC(=O)NCCn2cc(C#N)c(O)nc2=O)cn1 1434676262 NDNDUNUPGHTTHP-UHFFFAOYSA-N 303.282 -0.624 30 20 DBED C[C@@H](CNC(=O)CCn1cncn1)NC(=O)c1cc(C#N)c[nH]1 1452765092 PUFHINVBAYWGKL-JTQLQIEISA-N 315.337 -0.197 30 20 DBED C[C@H](C#N)C(=O)NC1CC(N(C)C(=O)CN2CCCC2=O)C1 1488559965 UVLYMCCPAUBCEM-VOMCLLRMSA-N 306.366 -0.126 30 20 DBED COC(=O)[C@H](CO)NC(=O)[C@@H]1NCCc2cc(C#N)ccc21 1578846147 WCTJUGQDYHFHFM-QWHCGFSZSA-N 303.318 -0.605 30 20 DBED COC(=O)c1cnc(CNC(=O)N[C@H]2CNC[C@@H]2C#N)s1 1578882439 IHISIGCLJFSUPM-YUMQZZPRSA-N 309.351 -0.160 30 20 DBED N#Cc1nc(Oc2cncc(C(N)=O)c2)cnc1-c1nn[nH]n1 1581881284 UHVGNJOTWXITED-UHFFFAOYSA-N 309.249 -0.185 30 20 DBED C=CC(=O)NCCC(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[nH]1 1588466853 RYJGBEVMRAPVIL-UHFFFAOYSA-N 301.270 -0.908 30 20 DBED C[C@H]1CN(S(=O)(=O)N(C)C[C@@H](C)C#N)C[C@@H](C(=O)O)O1 1589330896 UISZLHGBAGBSNV-GUBZILKMSA-N 305.356 -0.503 30 20 DBED N#Cc1ccc(NCC(=O)N2C[C@H]3COC[C@@]3(C(=O)O)C2)nc1 1594622826 MAAVKNDLBLMVIX-NHYWBVRUSA-N 316.317 -0.075 30 20 DBED N#Cc1ccc(NCC(=O)N[C@H](Cn2cncn2)C(=O)O)cc1 1601108109 BPQJTEANMVXWGD-GFCCVEGCSA-N 314.305 -0.169 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1602863903 RFOAUFIICUAIAY-MNOVXSKESA-N 303.326 -0.844 30 20 DBED C[C@@H]1C[C@@H](C(=O)O)CN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)C1 1603354062 FHKIJJYNVLLEKS-UEKVPHQBSA-N 323.349 -0.567 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)[C@H]1C[C@@H]1C(=O)O 1605448292 ZGOWQPDZKKGTRQ-UWVGGRQHSA-N 303.322 -0.249 30 20 DBED C#CCNC(=O)CN1CCCC[C@@H]1CNC(=O)CNC(=O)OC 1752817918 RVZRHLDZFDNVPA-GFCCVEGCSA-N 324.381 -0.938 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCN(C1CC1)[C@H](CC)C(N)=O 1753155674 FBGAWLXQDKDIDJ-CABCVRRESA-N 320.437 -0.072 30 20 DBED C=CCN1CCN(CCN(C)C(=O)C[C@@H](C)NC(N)=O)CC1 1753342178 NWMPOQVIYKKSRS-CYBMUJFWSA-N 311.430 -0.305 30 20 DBED C#Cc1ccc(C(=O)NC[C@H](C)CNCC(=O)NC(N)=O)cc1 1753626558 QLMKFWALUKHJQP-LLVKDONJSA-N 316.361 -0.182 30 20 DBED COCC#CCNC[C@H](O)CNC(=O)c1cccc(C(N)=O)c1 1753917713 NSOTXOHYBAQCBT-AWEZNQCLSA-N 319.361 -0.884 30 20 DBED CN(CCNC/C=C\CNC(=O)C#CC1CC1)S(C)(=O)=O 1754120052 SOENVTFPDMOQLK-ARJAWSKDSA-N 313.423 -0.447 30 20 DBED CC#CCN(C)C[C@H](C)NC(=O)c1cn(CC(=O)N(C)C)nn1 1754337582 WLAKMGPKHMYQON-LBPRGKRZSA-N 320.397 -0.560 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CCN1CC(=O)NC[C@@H]1CCOC1 1754483554 JVKOTPRYZHCYHO-GJZGRUSLSA-N 321.421 -0.011 30 20 DBED C=CCCN[C@H]1CCN(C(=O)CNC(=O)CNC(C)=O)[C@@H](C)C1 1754597680 OFMFLHPUPHSZDC-JSGCOSHPSA-N 324.425 -0.216 30 20 DBED COC[C@H](C)C(=O)N1CC[C@@](C)(CNCC(=O)NCC#N)C1 1754689964 IOGORQCZVKBHEJ-WFASDCNBSA-N 310.398 -0.263 30 20 DBED C=CCN1CC(O)(CNC(=O)CC(=O)NCC(F)(F)F)C1 1754776923 FWSLWKOVUMZIPE-UHFFFAOYSA-N 309.288 -0.596 30 20 DBED C#CCN1CCC[C@@](CO)(NC(=O)CCc2nc(C)no2)C1 1754854929 DKXFDSFOGOHKOX-OAHLLOKOSA-N 306.366 -0.113 30 20 DBED C#CCNC(=O)CNCC[C@@H]1CCN(C(=O)[C@@H](C)OCC#C)C1 1754914800 MYFQTFGXDJICEO-HUUCEWRRSA-N 319.405 -0.398 30 20 DBED C#CCN1CCC[C@@H](NC(=O)CN(C)S(=O)(=O)CC)CC1 1755030765 GWJMNUSWIVTONE-CYBMUJFWSA-N 315.439 -0.128 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC2(CN(C(=O)[C@H](C)OC)CCO2)C1 1755048736 HRPWDOVCEVQFEB-OLZOCXBDSA-N 323.393 -0.928 30 20 DBED C=CCNC(=O)CN[C@H]1CN(C(=O)Cc2ccn(C)n2)C[C@@H]1C 1755109707 XWGHENMCKUGWGD-JSGCOSHPSA-N 319.409 -0.299 30 20 DBED C=CCCN(C)[C@@H](C)CNC(=O)CN1C(=O)C(=O)N(C)C1=O 1755320238 PARFBBLJHZOTRN-JTQLQIEISA-N 310.354 -0.580 30 20 DBED C#CCNC(=O)CN1CC([C@H](C)NC(=O)c2cc(C)nn2C)C1 1755375747 QQZUBTWWEOSJOO-LBPRGKRZSA-N 317.393 -0.472 30 20 DBED C#CCNC(=O)CN[C@@H](C)CN(C)C(=O)CCc1cnn(C)c1 1755617746 DFIRKWBOZLVYIK-ZDUSSCGKSA-N 319.409 -0.461 30 20 DBED C#CCNC(=O)CN(C)C[C@@H](O)CN(C)C(=O)c1ccco1 1755797817 JLZYISXPNJETBI-GFCCVEGCSA-N 307.350 -0.606 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(CCO)(NC(=O)[C@H](F)CC)C1 1756087105 VXVCELDYCXEGOU-VXGBXAGGSA-N 314.357 -0.148 30 20 DBED C=C[C@@H](CC)CC(=O)N1CCO[C@@]2(CCN(C(=O)C(N)=O)C2)C1 1756169223 NHTZELLSCGXEGP-LRDDRELGSA-N 323.393 -0.096 30 20 DBED C[C@@H](C#N)C(=O)NCCOCCCNC(=O)C1=COCCO1 1756400469 SBLMBAJMZXIUIP-NSHDSACASA-N 311.338 -0.327 30 20 DBED Cc1n[nH]c(C)c1C(=O)N[C@H](CO)CNC(=O)C#CC1CC1 1756519219 CLDRRMJBZMWUHJ-LBPRGKRZSA-N 304.350 -0.353 30 20 DBED C=C[C@@H](CC)CC(=O)NC[C@H](O)CN(C)C(=O)c1cnn[nH]1 1756670162 VRAIGRHZHZCOPI-QWRGUYRKSA-N 309.370 -0.044 30 20 DBED C=C[C@@H](CC)CC(=O)N1C[C@H](O)[C@H](NC(=O)c2nc[nH]n2)C1 1757199896 ICQGXXWIZXKYPM-AXFHLTTASA-N 307.354 -0.292 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@H](NC(=O)c2n[nH]cc2F)C1 1757208622 RAQSBSZAQORTLY-MNOVXSKESA-N 308.313 -0.490 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N1CCC[C@](O)(C(=O)O)C1 1776215370 PJDMRXZGYZCXKZ-MWLCHTKSSA-N 305.356 -0.766 30 20 DBED C[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN)C[C@@H]21 1791260278 PIPQXZARNBWZNU-NAKRPEOUSA-N 301.412 -0.757 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](N)CN 1796778436 DJNDDHHZBKGZEP-HPCHECBXSA-N 324.425 -0.498 30 20 DBED CC[C@@H](NC)C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846195285 YEHAHYZXKZCLEC-LLVKDONJSA-N 307.350 -0.724 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N1CCC[C@@]2(CNC(=O)C2)C1 72833708 FDSJVIWMCBLIAT-IAQYHMDHSA-N 308.382 -0.011 30 20 DBED C=CCNC(=O)CNC(=O)C(=O)N1CCc2ccc(C#N)cc21 272021287 NICMZLLJGLPQPH-UHFFFAOYSA-N 312.329 -0.134 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCC2(SC)CC2)C1=O 280050845 HKEUEZMLODQMPJ-UHFFFAOYSA-N 311.363 -0.025 30 20 DBED CC[C@@H]1CN(c2c(C#N)c(=O)n(C)c(=O)n2C)C[C@@H](C)[S@@]1=O 286274702 HPYFQHRKSDTNCU-FQOARCPFSA-N 324.406 -0.309 30 20 DBED CCN(CCO)CCNC(=O)C(=O)Nc1sccc1C#N 293903225 WMMIPZVRGHVAME-UHFFFAOYSA-N 310.379 -0.011 30 20 DBED O=C(C/N=C(/O)CCN1CCCS1(=O)=O)N1CCCC1 328890789 RXIVLNPDHAVKOK-UHFFFAOYSA-N 303.384 -0.009 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)NCCN1CCOC[C@H]1C 330373917 BNTVYHYETBNNLB-VXGBXAGGSA-N 304.416 -0.367 30 20 DBED COCCN1CCN(/C(O)=N/Cc2cc(C(N)=O)no2)CC1 330397185 KUYBYENOTCHUDS-UHFFFAOYSA-N 311.342 -0.549 30 20 DBED C[C@@H]1CCCCN1C(=O)CN1CCN(CC(=O)NCC#N)CC1 330505277 KATKAYCEQWYQAT-CQSZACIVSA-N 321.425 -0.355 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@H](C)C(=O)N(C)C 337195523 VXFJHORZQHWDBU-SNVBAGLBSA-N 306.388 -0.840 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H]1C(=O)NCC[C@H]1C 337206931 NLNOYATULAXWHW-GMTAPVOTSA-N 302.400 -0.173 30 20 DBED N#CCCCNC(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 342673180 ZUTDKVXAFOHTSA-FPQZTECRSA-N 305.334 -0.041 30 20 DBED Cn1ncc2c(O)c(C(=O)NCCn3cnc(C#N)n3)cnc21 342934431 INRKRQZZOVQVJF-UHFFFAOYSA-N 312.293 -0.433 30 20 DBED C=C(C)CN1CCC(NC(=O)C(=O)NCCCNC(C)=O)CC1 343772030 VWLKSKJSCHNLMB-UHFFFAOYSA-N 324.425 -0.215 30 20 DBED COC(=O)[C@H]1CNC(=O)CN1C(=O)CNc1cccc(C#N)c1 344927491 UIBIOAFGXZDDAE-GFCCVEGCSA-N 316.317 -0.530 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCC2(CO)CCC2)C1=O 345014605 REVRTUAMNIAEFA-UHFFFAOYSA-N 309.322 -0.758 30 20 DBED Cc1ccc(C#N)cc1NC(=O)C(=O)NCCCS(N)(=O)=O 347804747 GPXBGAFEUBFIHX-UHFFFAOYSA-N 324.362 -0.400 30 20 DBED COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N1CC(O)(CC#N)C1 358912067 ZMZNKFIVHSVVMM-ZJUUUORDSA-N 302.352 -0.382 30 20 DBED C=CCN1CC[C@H](N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)C1=O 375613321 NIOUIPMGIPEYPR-NEPJUHHUSA-N 318.381 -0.199 30 20 DBED C=CCNC(=O)NC(=O)CN1CC[C@H](S(=O)(=O)NCC)C1 378411554 MQBTZHSZRGNSJH-JTQLQIEISA-N 318.399 -0.988 30 20 DBED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCNC(C)(C)C2)n1 415823440 PZQNXAWRTCVVPR-UHFFFAOYSA-N 318.381 0.485 30 20 DBED C#CCN(C)CCCNC(=O)CCN/C(O)=C1\N=CC=CC1=O 491623511 PUPQAHYTMVFTEH-FOCLMDBBSA-N 318.377 -0.026 30 20 DBED COC(=O)c1ccc(N2CCN(C(=O)[C@H](C)O)CC2)c(C#N)n1 515149684 IHKFETSLQDKDBW-JTQLQIEISA-N 318.333 -0.231 30 20 DBED N#CCc1ccc(S(=O)(=O)N[C@@H](CO)C(N)=O)c(Cl)c1 516089378 RDONEWYSOPDRMT-VIFPVBQESA-N 317.754 -0.469 30 20 DBED CC(=O)N1CCN(C(=O)CCNC(=O)NC[C@H](C)C#N)CC1 542875130 LQAPXSYFIVCWEO-LLVKDONJSA-N 309.370 -0.474 30 20 DBED N#C[C@H]1CN(C(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)CCO1 559613911 RHYWMUDQSIAVJK-SDDRHHMPSA-N 303.318 -0.311 30 20 DBED C=CCC[C@@H](CO)NS(=O)(=O)CCNS(=O)(=O)CC 568263499 GDYUWFNDFDHCSY-JTQLQIEISA-N 314.429 -0.828 30 20 DBED CNC(=O)C[C@@H](C)NCCS(=O)(=O)c1ccc(C#N)cn1 569333112 SBJRSBKQPVSVBL-SNVBAGLBSA-N 310.379 -0.159 30 20 DBED C=CCN1CCC(NC(=O)C(=O)Nc2cncc(OC)n2)CC1 574642887 HNOGFCMEFWJSPO-UHFFFAOYSA-N 319.365 0.190 30 20 DBED Cn1c(NCCCc2[nH]nc(N)c2C#N)cc(=O)n(C)c1=O 590568914 CWMOKDRYXIHHBO-UHFFFAOYSA-N 303.326 -0.694 30 20 DBED CC(C)(CN1CCOCC1)C(=O)NCCn1cnc(C#N)n1 602153917 SKIRINNJGSOANQ-UHFFFAOYSA-N 306.370 -0.376 30 20 DBED CCNC(=O)CNC(=O)C(=O)Nc1ccc(C#N)cc1OC 613304163 TWNAWWWJZPRXDV-UHFFFAOYSA-N 304.306 -0.242 30 20 DBED C=CCn1c(-c2cc[nH]n2)nnc1N1CCO[C@H](C(N)=O)C1 669031990 XOLSSXATWZZDJV-JTQLQIEISA-N 303.326 -0.455 30 20 DBED N#CCN(CC(=O)O)C(=O)COCC(=O)NCc1cccnc1 739078676 KFNLCSCLHRMMPJ-UHFFFAOYSA-N 320.305 -0.849 30 20 DBED Cn1cc(C[C@H]2CC(=O)N(CN3CCOC[C@@H]3C#N)C2=O)cn1 746380996 ULIXXIACUQTJMF-STQMWFEESA-N 317.349 -0.480 30 20 DBED C[C@H](Oc1ccc(C=NNC(=S)NCC(N)=O)cc1)C(=O)O 794909533 TTWISBQBGPESHF-QMMMGPOBSA-N 324.362 -0.178 30 20 DBED C=CCNC(=O)[C@@H](C)OC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1 815264624 WHRWNFDTDOCFRW-NXEZZACHSA-N 319.383 -0.864 30 20 DBED C#CCC[C@H](O)CNC(=O)c1ccc2c(c1)NC(=O)CNC2=O 816566864 JMKDHIQHFAVOJT-NSHDSACASA-N 315.329 -0.127 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)C[C@H](C)OC)CC1 831560694 DVARMAUXIJPWAZ-NSHDSACASA-N 303.384 -0.977 30 20 DBED N#C[C@H]1CNC[C@@H]1NC(=O)CNC(=O)c1ccc(F)c(F)c1 834489887 QNXJHVQSVCSGBE-CABZTGNLSA-N 308.288 -0.078 30 20 DBED C#CC[C@@H](NC(=O)[C@@H]1COCCN1CC(F)F)C(=O)OC 837949773 YBEIIBWBQJGADZ-ZJUUUORDSA-N 304.293 -0.367 30 20 DBED C=CCN1CC[C@H](OC(=O)Cn2nc3n(c2=O)CCCC3)C1=O 845234886 PLPDTWXVKAEWJK-NSHDSACASA-N 320.349 -0.289 30 20 DBED C#CC[C@H](CCOC)NC(=S)NCCNS(C)(=O)=O 863251350 OMOXDXHKOWHTGZ-SNVBAGLBSA-N 307.441 -0.572 30 20 DBED C#CC[C@@H](CCOC)NC(=O)NCCC(=O)N1CCN(C)CC1 875067688 AIQMZMCVDIGEHU-AWEZNQCLSA-N 324.425 -0.122 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2C[C@@H](C)CO2)CC1 896180707 FLWMOUAHLZLKFK-ZIAGYGMSSA-N 307.394 -0.305 30 20 DBED C#CCN1CCC[C@H](NC(=O)Cn2nc3ccccn3c2=O)C1 923576862 VRDOSXFVCQNYBC-ZDUSSCGKSA-N 313.361 -0.290 30 20 DBED CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H](C#N)C1 928224836 ROZLJVFQIKELBR-OLZOCXBDSA-N 306.366 -0.124 30 20 DBED Cn1cc(C(=O)N2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)nn1 937796182 SFCWJMUZALSLNU-JTQLQIEISA-N 313.321 -0.341 30 20 DBED CO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1NC(=O)c1cnn(C)c1 941156282 KNGMHGDDYKDXNQ-YUSALJHKSA-N 305.338 -0.465 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2nnc(O)nc2O)[C@H](C)C1 942285539 DJAYCRGRLUVGTH-ZJUUUORDSA-N 305.338 -0.254 30 20 DBED C[C@H](C#N)C(=O)N1CCCC[C@@H](NC(=O)CN2CCOCC2)C1 943196415 XIQHOHHYBQWSET-ZIAGYGMSSA-N 322.409 -0.024 30 20 DBED CN1CC[C@@H](C(=O)NC[C@H]2CN(C(=O)C#CC3CC3)CCO2)C1 944596824 NJGDLFIFIQIUSE-CABCVRRESA-N 319.405 -0.305 30 20 DBED O=C(N[C@@H]1[C@H]2C[C@H]1N(C(=O)C#CC1CC1)C2)c1ccc(O)nn1 946629352 LUGSXNHVEHXNHV-JVLSTEMRSA-N 312.329 -0.075 30 20 DBED C=CCn1cc(C(=O)N(C)C2CN(C(=O)c3cnn[nH]3)C2)nn1 954308695 ZWVPBDAKWRASDN-UHFFFAOYSA-N 316.325 -0.821 30 20 DBED C=CCN1C[C@@H](O)[C@H](CNC(=O)c2cnn3ncccc23)C1 958134501 FETYRVAUBTXJDB-BXUZGUMPSA-N 301.350 -0.062 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2CN(CC(=O)NC)C[C@H]2O)cc1 958303172 BPSGWNDYDXMZCL-HUUCEWRRSA-N 315.373 -0.564 30 20 DBED N#CCN1C[C@H](O)[C@H](CNC(=O)c2cnn(CC3CC3)c2)C1 958574997 SOACIOJOPQLPDR-OCCSQVGLSA-N 303.366 -0.161 30 20 DBED N#Cc1cc(C(=O)NCC2[C@@H]3CN([C@@H]4CCNC4=O)C[C@@H]23)c[nH]1 978030021 RXLZWZMSQKRKBE-MELADBBJSA-N 313.361 -0.318 30 20 DBED C#CCN1CCCN(C(=O)[C@@H]2Cc3cncn3C(=O)N2)CC1 981662908 BXYHXQHZXQJRNW-ZDUSSCGKSA-N 301.350 -0.467 30 20 DBED C[C@@H]1C[C@@H](NCC#N)CN1C(=O)Cn1[nH]cc2c(=O)ncnc1-2 989569086 RFSXJBIHULIMLH-NXEZZACHSA-N 315.337 -0.826 30 20 DBED CC#CCN1CCCN(C(=O)Cn2nc(C)n(C)c2=O)CC1 989586721 XRFIZWPZINRDMA-UHFFFAOYSA-N 305.382 -0.552 30 20 DBED C=CCN[C@@H]1C[C@H](C)N(C(=O)c2cc(=O)n3[nH]cnc3n2)C1 989673132 SOCQTQQHKJMLCE-VHSXEESVSA-N 302.338 -0.204 30 20 DBED N#Cc1ccc(C(=O)NC2CN(C(=O)[C@H]3CCNC(=O)C3)C2)[nH]1 990889872 PIAROLOKSVIOGA-VIFPVBQESA-N 315.333 -0.647 30 20 DBED N#CCNC1CCN(C(=O)[C@H]2CCc3nnc(O)n3C2)CC1 996746154 UDHJDZNKLLIHRY-JTQLQIEISA-N 304.354 -0.350 30 20 DBED C#CCNC1CCN(C(=O)Cn2nc3ccccn3c2=O)CC1 996856337 QTAUOYAXHJTSKD-UHFFFAOYSA-N 313.361 -0.290 30 20 DBED C[C@H](C#N)C(=O)N1CC(NC(=O)[C@H]2CCc3nnn(C)c3C2)C1 998494596 UWMWTMQDAIABFB-ZJUUUORDSA-N 316.365 -0.593 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@]2(CN(C(=O)c3cnn[nH]3)CCO2)C1 1007715512 DLCRDKXOABREPB-YGRLFVJLSA-N 318.337 -0.592 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2C(NC(=O)c3cn(C)c(=O)cn3)[C@@H]2C1 1013554235 XKQMDADXDTXEMC-OPRDCNLKSA-N 315.333 -0.873 30 20 DBED C#Cc1ccc(C(=O)N2CCC[C@@H](NC(=O)C(N)=O)[C@H]2C)cn1 1015184632 OYRJQXFYYDIRAJ-ZWNOBZJWSA-N 314.345 -0.343 30 20 DBED CC#CCN1CCC2(CC1)C[C@H]2NC(=O)CN1CC(=O)NC1=O 1016883022 WNXGWXSMYOITCD-GFCCVEGCSA-N 318.377 -0.468 30 20 DBED C=CCn1cccc1C(=O)N1CC[C@H]2CN(C(=O)C(N)=O)C[C@H]21 1021939305 GWPXHLABQMWLGN-WCQYABFASA-N 316.361 -0.168 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H](N(C)CC(=O)N2CCOCC2)C1 1027335243 DSNHQJCVFHTLJT-ZIAGYGMSSA-N 322.409 -0.072 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CN(CCS(C)(=O)=O)C1 1031088163 MINNRTZPZCFSQO-STQMWFEESA-N 316.423 -0.187 30 20 DBED CC#CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1COCCN1C(C)=O 1032792138 QUNRYPBTSVFKNP-SOUVJXGZSA-N 305.378 -0.458 30 20 DBED CC#CCN1CCO[C@H](CNC(=O)c2ccc(N(C)C)nn2)C1 1035579737 CHDUTQXGOOXVMN-CYBMUJFWSA-N 317.393 -0.004 30 20 DBED CC#CCN1CC[C@@H]2CN(C(=O)Cn3ncn(C)c3=O)CC[C@H]21 1036753750 VWUNIFVXXUHDMU-ZIAGYGMSSA-N 317.393 -0.472 30 20 DBED C=CCCN1C[C@H]2C[C@H]1[C@H]2NC(=O)c1cn(CC(N)=O)nn1 1037742838 IRXWVFYSLFWUCL-CDMKHQONSA-N 304.354 -0.858 30 20 DBED CS(=O)(=O)CCN1CC[C@H]1CNC(=O)c1c[nH]c(C#N)c1 1038175127 LXTFZNLESKWPRN-LBPRGKRZSA-N 310.379 -0.265 30 20 DBED N#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1c(O)nnc1O 1039464317 FJQMSCWEVZTFRV-ZJUUUORDSA-N 306.326 -0.722 30 20 DBED C#CCCCC(=O)NC[C@@]1(O)CCN(C(=O)c2ccnnc2)C1 1039576786 XTTZGAMYLHDDLK-INIZCTEOSA-N 316.361 -0.027 30 20 DBED C=CCOCC(=O)N1CC[C@@](O)(CNC(=O)[C@H](O)C(C)C)C1 1039627357 RFQKDMWEQVIWGX-UKRRQHHQSA-N 314.382 -0.715 30 20 DBED C#CCN1[C@H]2CCC[C@H]1CN(C(=O)C[C@@H]1NC(=O)NC1=O)C2 1039647209 ZTVVRVCPCYEGIM-SRVKXCTJSA-N 304.350 -0.717 30 20 DBED C#CCOCCC(=O)NC[C@]1(O)CCN(C(=O)c2cc[nH]n2)C1 1039719115 OENDMMGAPHQJSC-OAHLLOKOSA-N 320.349 -0.857 30 20 DBED C=CCO[C@H](C)C(=O)NC[C@@]1(O)CCN(C(=O)c2cnn[nH]2)C1 1040162813 COQUUWIBPJSRHP-YGRLFVJLSA-N 323.353 -0.911 30 20 DBED Cc1nc[nH]c1C(=O)N1CC[C@](O)(CNC(=O)[C@@H](C)C#N)C1 1040769217 JKFIGCSJFZXVOI-XPTSAGLGSA-N 305.338 -0.429 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)c3ccon3)C2)nn1 1040943419 VOXFMXVWNVOJQY-GHMZBOCLSA-N 300.278 -0.684 30 20 DBED N#Cc1cncc(N2C[C@@H](O)[C@H](NC(=O)c3ccsn3)C2)n1 1041206883 CNADVOFDIVRIPO-GHMZBOCLSA-N 316.346 -0.216 30 20 DBED CO[C@@H](C)C(=O)N1CCCO[C@@H](CN=c2cc[nH]c(C#N)n2)C1 1041488004 YIGLMODXVASUOI-RYUDHWBXSA-N 319.365 -0.166 30 20 DBED CCOCCC(=O)NCC1(O)CN(C(=O)c2ccc(C#N)[nH]2)C1 1042003742 OOGMBYWGPFCSMM-UHFFFAOYSA-N 320.349 -0.384 30 20 DBED CN(C(=O)c1c[nH]c(C#N)c1)C1CN(CC(=O)NC2CC2)C1 1042637760 QUSOEWAJPZGLOD-UHFFFAOYSA-N 301.350 -0.079 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)c2cc(=O)n(C)o2)C1 1042787414 DGXHPMLOGDDHMO-UHFFFAOYSA-N 323.349 -0.506 30 20 DBED Cc1nnccc1C(=O)N1CC(O)(CNC(=O)C#CC(C)C)C1 1042937494 JAJIZUYGODDICS-UHFFFAOYSA-N 316.361 -0.252 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)CC2(O)CCC2)C1 1043033286 WNOCUHHCLNHJJJ-UHFFFAOYSA-N 324.377 -0.979 30 20 DBED C=CCCOCC(=O)NCC1(O)CN(C(=O)Cc2ncc[nH]2)C1 1043569220 SVHLRYBQTGWLNJ-UHFFFAOYSA-N 322.365 -0.766 30 20 DBED COCC(=O)N1CCO[C@@H]2CN(c3nc(C)cc(C#N)n3)C[C@@H]21 1043645040 ARJKHOJZDWHLHA-QWHCGFSZSA-N 317.349 -0.281 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(c2cnc(F)cn2)C[C@@H]1O 1044559520 IDNANQQRNKLCKL-WYUUTHIRSA-N 322.340 -0.128 30 20 DBED COc1cnc(C(=O)N(C)[C@H]2CN(CC#N)C[C@@H]2O)c(F)c1 1047403987 OPJJECRQQMCMEA-RYUDHWBXSA-N 308.313 -0.130 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)N2CCCCC2=O)C1 1047639242 OWMWCBPNKIQWMT-KKUMJFAQSA-N 321.421 -0.086 30 20 DBED CCNC(=O)CCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)C#N)C1 1049389298 WSPJGOIXPDWDGI-WOPDTQHZSA-N 324.381 -0.908 30 20 DBED Cc1cn(C)nc1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)C#N)C1 1049395285 SBQNCFIOLPRSAK-USWWRNFRSA-N 319.365 -0.468 30 20 DBED C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)C[C@@H]1NC(=O)NC1=O 1049525312 DSSOKGFSNCZEBC-SRVKXCTJSA-N 304.350 -0.717 30 20 DBED CC#CCN1CC[C@H]2[C@H]1CCCN2C(=O)Cn1ncn(C)c1=O 1049562268 VJMJFWSVHOMZSJ-KGLIPLIRSA-N 317.393 -0.330 30 20 DBED N#CCN1CC[C@H]2[C@H]1CCCN2C(=O)CN1CCCNC1=O 1049568161 SMAZMQTVVLQPIK-OLZOCXBDSA-N 305.382 -0.009 30 20 DBED CC#CCN1CCOC[C@@H]1CNC(=O)c1cn(CCOC)nn1 1050905607 GNBRVOTYASUOIK-ZDUSSCGKSA-N 321.381 -0.622 30 20 DBED N#CCN1CCOC[C@H]1CNC(=O)c1cn(C2CCC2)nn1 1050920896 MGVUETIXDRMNSG-GFCCVEGCSA-N 304.354 -0.043 30 20 DBED CCC(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@@H]1n1ccnn1 1051390332 KUBSDVGSJFTJPE-NEPJUHHUSA-N 312.337 -0.104 30 20 DBED N#Cc1ccc(N2CC[C@@H](NC(=O)c3ccon3)[C@H](O)C2)nn1 1051633565 ZRZKSRDRSSUPRO-ZYHUDNBSSA-N 314.305 -0.294 30 20 DBED C#CCN1CCN([C@H]2CCN(C(=O)[C@H]3CCC(=O)N3)C2)CC1 1051998151 NZIQBYXVWNKERY-UONOGXRCSA-N 304.394 -0.883 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)C[C@H]1CCC(=O)N1C)CCO2 1053370726 RKVQDTGDTREYHC-CQSZACIVSA-N 319.405 -0.066 30 20 DBED C[C@@H]1CN(C(=O)c2coc(S(N)(=O)=O)c2)C[C@@H]1NCC#N 1054815626 IFPKVVUIVBILMI-SCZZXKLOSA-N 312.351 -0.499 30 20 DBED CN1CCOC[C@@H]1C(=O)N1CCN(c2cnc(C#N)cn2)CC1 1055754645 WNPHCVYKVLYPHQ-CYBMUJFWSA-N 316.365 -0.673 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCC[C@H]2CN(C(=O)C(N)=O)C[C@H]21 1056656964 WUWVONJEOMMJDU-RWSFTLGLSA-N 309.366 -0.752 30 20 DBED N#Cc1nccc(N2CC[C@@H](NC(=O)[C@H]3CCC(=O)N3)C2)n1 1058313193 JFZJUBYQIIYMQG-NXEZZACHSA-N 300.322 -0.678 30 20 DBED N#Cc1nccnc1N1CC[C@@H](NC(=O)Cn2ccccc2=O)C1 1058367100 DYRNAUBUZOSJSP-GFCCVEGCSA-N 324.344 -0.095 30 20 DBED CCn1cc(C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N)cn1 1058653411 VBMVWESEJRILEW-NSHDSACASA-N 307.354 -0.387 30 20 DBED CN1CCOC[C@@H]1C(=O)N[C@H]1C[C@H](Nc2nccnc2C#N)C1 1059187059 TUHDQVKNEODLBW-NQBHXWOUSA-N 316.365 -0.262 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)CCn1cccn1 1061313941 PRRMGGNGPZYPIM-CHWSQXEVSA-N 319.365 -0.224 30 20 DBED CO[C@@H](C)C(=O)NC[C@@H]1COCCN1C(=O)c1cc(C#N)c[nH]1 1061368318 ZLRSAAXTQOSNHY-CMPLNLGQSA-N 320.349 -0.122 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)Cn1ccnc1 1061682531 MLLRVMXKKWPORJ-NEPJUHHUSA-N 305.338 -0.614 30 20 DBED C=CCCC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1CCNC1=O 1061748283 JNQQBCLRQPCWAJ-NWDGAFQWSA-N 309.366 -0.568 30 20 DBED Cc1ncc(C(=O)N2CCOC[C@@H]2CNC(=O)[C@H](C)C#N)[nH]1 1061845774 LAWXFSPEIMSFEI-KOLCDFICSA-N 305.338 -0.165 30 20 DBED N#Cc1nccc(N2C[C@@H]3C[C@H]2CN3C(=O)C2(C(N)=O)CC2)n1 1062567779 ZUSQDVHXDZOSHV-UWVGGRQHSA-N 312.333 -0.597 30 20 DBED N#Cc1nccc(N2CCO[C@H](CNC(=O)c3cocn3)C2)n1 1063619889 JPAFYRPEQLNXLF-SNVBAGLBSA-N 314.305 -0.029 30 20 DBED N#Cc1nccc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)Cn2ccnc2)n1 1064269687 FKWRZKMCLRGGAC-ZETOZRRWSA-N 309.333 -0.062 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)c2cn(C)c(=O)cn2)CCC1 1064307027 WMJIINFNCQCYOY-JTQLQIEISA-N 317.349 -0.291 30 20 DBED N#Cc1ccc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)[C@@H]2[C@H]3COC[C@H]32)nn1 1064322123 BAPVCBWNKOGFQN-VDBHERJRSA-N 311.345 -0.066 30 20 DBED CC(C)(C)C#CC(=O)NC[C@H]1CN(C(=O)CNC(N)=O)CCO1 1064838774 KNRSRSIVKDZKHK-NSHDSACASA-N 324.381 -0.952 30 20 DBED C=CCCC1(C(=O)NC[C@H]2CN(C(=O)CC(N)=O)CCO2)CC1 1064998969 NWFZLAOMHHDVKG-LBPRGKRZSA-N 323.393 -0.048 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@H](CNC(=O)CNC(=O)C2CC2)C1 1065555867 AVSSFAREKHZXCT-CMPLNLGQSA-N 322.365 -0.984 30 20 DBED C=C[C@](C)(O)CC(=O)N(C)CCCN(C)C(=O)Cc1nc[nH]n1 1067292704 VOPOEXHKDJVQJH-HNNXBMFYSA-N 323.397 -0.019 30 20 DBED C=CC(C)(C)C(=O)N1CC2(CC[C@@H](CNC(=O)CC(N)=O)O2)C1 1068549490 YZHGRJOYWRFOKI-NSHDSACASA-N 323.393 -0.050 30 20 DBED C=CCCC(=O)N1CC2(C[C@@H](NC(=O)CNC(=O)CC)CO2)C1 1068766123 GHWQNSFOVNCJPP-GFCCVEGCSA-N 323.393 -0.035 30 20 DBED C=CCOCC(=O)N1CC2(C[C@H](NC(=O)c3nc[nH]n3)CO2)C1 1068955189 SXLDNXKHQPTPJX-JTQLQIEISA-N 321.337 -0.893 30 20 DBED N#Cc1nc(=N[C@@H]2CCC[C@H]3CN(C(=O)C(N)=O)C[C@H]32)cc[nH]1 1069319095 PMUSRWKNYFAJHL-HBNTYKKESA-N 314.349 -0.706 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)Cc2cccnc2)C1 1069910621 CNFNZIFDZMQFOJ-CABCVRRESA-N 310.361 -0.110 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CCCN(C(=O)[C@H]2CCC(=O)N2)C1 1070551261 JBBZCIAAJWTZHI-YNEHKIRRSA-N 323.393 -0.037 30 20 DBED CCn1nncc1C(=O)N1C[C@H]2C[C@@H]3CN(CC#N)C[C@]2(C1)O3 1070796979 STGZYQJHEMYZTO-LALPHHSUSA-N 316.365 -0.263 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCC[C@@H](NC(=O)CC(=O)NC)C1 1070903854 LOBSXYPZWURFQR-NWDGAFQWSA-N 311.382 -0.179 30 20 DBED N#CCN1CCNC(=O)CCN(C(=O)c2ncccc2O)CC1 1070958847 WDRDRXMEGDLMNX-UHFFFAOYSA-N 317.349 -0.425 30 20 DBED C#CCCN1CCNC(=O)CCN(C(=O)C(C)(C)C(N)=O)CC1 1070970818 ZMQMEQOSWNFLAT-UHFFFAOYSA-N 322.409 -0.828 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCCN(C(=O)[C@@H](F)CC)C1 1071093258 ZKOKALDBABAFHK-NEPJUHHUSA-N 311.357 -0.019 30 20 DBED C#CCCN1C[C@H](NC(=O)c2nnc(O)nc2O)CC[C@@H]1C 1071647065 DNSPTBKAWOMYOS-VHSXEESVSA-N 305.338 -0.111 30 20 DBED C#CCOCCC(=O)N1C[C@H](C)[C@@H](NC(=O)c2nc[nH]n2)C1 1072101609 PUXWVLHVFOONPR-QWRGUYRKSA-N 305.338 -0.579 30 20 DBED C=CCCOCC(=O)N[C@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@@H]1C 1072632083 IMZUVQLVJYYVAW-RYUDHWBXSA-N 323.393 -0.192 30 20 DBED C[C@@H](C#N)C(=O)NC1(C)CCN(C(=O)[C@@H]2COCCN2C)CC1 1072958332 YQBSIRXDLHNEOC-STQMWFEESA-N 322.409 -0.026 30 20 DBED CC(C)C#CC(=O)N1CCC(C)(NC(=O)c2nnn(C)n2)CC1 1073012922 JUEHBAZMEZXWKY-UHFFFAOYSA-N 318.381 -0.020 30 20 DBED C#CCCN1CCC2(C1)CN(C(=O)c1cn(C)c(=O)n1C)C2 1073467741 GRQXEJCEFDTVCG-UHFFFAOYSA-N 302.378 -0.105 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)c2cc(C(N)=O)co2)C1 1073763108 WEKUHYPXUHQNBO-GFCCVEGCSA-N 305.334 -0.168 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)c3cc(OC)n(C)n3)C[C@@H]21 1074293738 CLNHHVZBIITTGP-UONOGXRCSA-N 318.377 -0.023 30 20 DBED C=C(C)CN1CCO[C@@H]2CCN(C(=O)CCn3cnnn3)C[C@@H]21 1074368948 NUUKYUBWEDBYRV-UONOGXRCSA-N 320.397 -0.059 30 20 DBED C=CCOCC(=O)N1CC[C@H](NC(=O)c2nnn(C)n2)C[C@H]1C 1075109106 CSTKFIKYGHEIRL-MNOVXSKESA-N 322.369 -0.478 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 1077434644 WQZOANYMTRHPFV-YNEHKIRRSA-N 319.365 -0.897 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)c2ccn3nnnc3c2)C1 1077501759 MFMLGZLXKZREKE-CHWSQXEVSA-N 316.365 -0.135 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)[C@H](C)NC(C)=O)C1 1079266531 AGDCIAMEFMUVMH-RYUDHWBXSA-N 323.393 -0.391 30 20 DBED CCN(C(=O)[C@H](C)NC(N)=O)C1CN(C(=O)C#CC2CC2)C1 1079665567 ZPCKXDDRWTYHRT-JTQLQIEISA-N 306.366 -0.484 30 20 DBED C#CCN1C[C@@H](NC(=O)c2coc(S(N)(=O)=O)c2)[C@H](C)C1 1079985098 YFFBCSJXNNBPPW-MWLCHTKSSA-N 311.363 -0.390 30 20 DBED CCN(C(=O)CCn1cnnn1)C1CN(C(=O)C#CC2CC2)C1 1080344303 SIETXXSSBMFGIC-UHFFFAOYSA-N 316.365 -0.464 30 20 DBED CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)[C@@H]2CN(C)CCO2)C1 1080411369 KHEGLAQJXZNKAA-YPMHNXCESA-N 308.382 -0.464 30 20 DBED CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)C(=O)NCC(F)F)C1 1080417989 DUQKBEQIDCYUSW-QMMMGPOBSA-N 316.308 -0.413 30 20 DBED C[C@@H](C#N)C(=O)NC1(CO)CCN(C(=O)C2=COCCO2)CC1 1080981653 JKFDOSXDACBGJV-NSHDSACASA-N 323.349 -0.496 30 20 DBED C#Cc1ccc(C(=O)N2C[C@@H](O)[C@H](CNC(=O)C(F)F)C2)cn1 1081153465 WWHPYKUVLLEZCA-ZYHUDNBSSA-N 323.299 -0.123 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@H](CNC(=O)Cn2nccn2)C1 1081517671 SPRFNRPDGVYOHS-NEPJUHHUSA-N 307.354 -0.820 30 20 DBED COc1c(C(=O)N[C@@H]2CN(CC#N)C[C@H]2OC)c(C)nn1C 1082194635 UFYJFNPCMMDDJH-GHMZBOCLSA-N 307.354 -0.310 30 20 DBED C=CCN1CC[C@H](N2C[C@H](O)[C@H](NC(=O)c3ccco3)C2)C1=O 1083312296 GUYWVPUMQJIXDL-AGIUHOORSA-N 319.361 -0.159 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 1083566658 VRHMYYDBOALFCC-APIJFGDWSA-N 311.426 -0.167 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCCS(=O)(=O)C2)C1 1083829608 WWYCQIJCROUTFR-UPJWGTAASA-N 316.423 -0.451 30 20 DBED Cc1nc(C(=O)N(C)C[C@@H]2CCN2CC#N)nn1-c1nc[nH]n1 1085753096 XYJSHPLPZRKBTH-JTQLQIEISA-N 315.341 -0.636 30 20 DBED C#CCCN1CC[C@@H]1CN(C)C(=O)c1cnc(O)n(C)c1=O 1085760084 ZGEBFXFXCVMRNI-LLVKDONJSA-N 304.350 -0.345 30 20 DBED Cn1nnc(C(=O)N2C[C@@H]3[C@@H](C2)[C@H]2CC[C@@H]3N(CC#N)C2)n1 1087380234 QIHIMKJZYWMWPW-YFKTTZPYSA-N 301.354 -0.484 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)CN3CCC(=O)NC3=O)C[C@@H]2C1 1088163609 WWDLTDJDRWBKGU-OLZOCXBDSA-N 318.377 -0.658 30 20 DBED CCCN(C)CC(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1O 1090464148 AXEYQDBZIUNGCJ-ZIAGYGMSSA-N 317.393 -0.039 30 20 DBED CNC(=O)NCC(=O)N1C[C@@H](Nc2nccnc2C#N)[C@H](C)C1 1091027329 XLGNFLUBPSIMDA-MWLCHTKSSA-N 317.353 -0.464 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)c3cnn[nH]3)c3nccn32)C1 1092379949 MFJCCDKCGUWAJB-LLVKDONJSA-N 311.349 -0.090 30 20 DBED Cc1cc(=NCCNC(=O)C[C@@H]2CCC(=O)N2)c(C#N)c[nH]1 1093724946 UTTBUNOOAGBZIY-LBPRGKRZSA-N 301.350 -0.120 30 20 DBED CCc1nc(C#N)cc(NCCNC(=O)C[C@H](C)NC(N)=O)n1 1093885274 ZNYZDTFPGHDZQP-VIFPVBQESA-N 319.369 -0.114 30 20 DBED N#CCN1CC(n2cc(CNC(=O)[C@@]34COC[C@@H]3C4)nn2)C1 1094292797 IFGMXLMAEKGNNU-HZMBPMFUSA-N 302.338 -0.689 30 20 DBED C[C@@H]1COCC[C@@H]1C(=O)NCc1cn(C2CN(CC#N)C2)nn1 1094318438 MWKHUSFRSUFRIS-RISCZKNCSA-N 318.381 -0.053 30 20 DBED N#Cc1nc(=NCCCNC(=O)COC[C@@H]2CCOC2)cc[nH]1 1094580155 NCCCZYMXHMFIIC-GFCCVEGCSA-N 319.365 -0.259 30 20 DBED C[C@@H]1CC[C@H](C(=O)N[C@@H]2CC(=O)N(C3CN(CC#N)C3)C2)O1 1094789214 XQPXLEGZQWGYAS-NQBHXWOUSA-N 306.366 -0.521 30 20 DBED C[C@@H]1CN(C)C[C@@H]1C(=O)NCCCN=c1cc[nH]c(C#N)n1 1094796099 IWSKJYFHVXOOEM-NEPJUHHUSA-N 302.382 -0.114 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)c3cn(CC)nn3)CC2=O)C1 1094803534 NQQFKDPKHLYLMX-NSHDSACASA-N 318.381 -0.501 30 20 DBED C[C@@H](CC(N)=O)C(=O)N[C@H]1CCCN(c2ccnc(C#N)n2)C1 1096218249 FSXDEZNOICDAJB-QWRGUYRKSA-N 316.365 -0.055 30 20 DBED C[C@H](NC(N)=O)C(=O)N[C@H]1CCN(c2ccncc2C#N)C1 1096355207 FYBVRURDAXUZNB-ONGXEEELSA-N 302.338 -0.295 30 20 DBED CCOCCOCC(=O)N[C@H]1C[C@@H](N=c2cc[nH]c(C#N)n2)C1 1097190838 QPMHKTQQXJIXIU-TXEJJXNPSA-N 319.365 -0.118 30 20 DBED Cc1nc(CC(=O)NC[C@@H](C)Nc2cncc(C#N)n2)n[nH]1 1097805496 FRTFYRPPRGSSCW-MRVPVSSYSA-N 300.326 -0.066 30 20 DBED C[C@@H](CNC(=O)CN1C(=O)CCC1=O)Nc1nccnc1C#N 1097847793 JFQGYNIDRXUWKO-VIFPVBQESA-N 316.321 -0.586 30 20 DBED COCCO[C@@H](C)C(=O)NC[C@@H](C)N=c1cc[nH]c(C#N)n1 1098055432 ZYCMGDPVEIPCPX-MNOVXSKESA-N 307.354 -0.262 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)C2=CCCC2)[C@@H](O)C1 1099780335 FTVSMIBCSKFQBD-KGLIPLIRSA-N 307.394 -0.050 30 20 DBED C=C/C(C)=C/CC(=O)N[C@@H]1CCN(CC(=O)NCC#N)C[C@@H]1O 1099955698 YAECDGAVJDYHQF-UEELJDNFSA-N 320.393 -0.300 30 20 DBED C=CCNC(=O)CNC1CC(CNC(=O)COCCOC)C1 1100198228 SLKUVYSNYRMSPY-UHFFFAOYSA-N 313.398 -0.564 30 20 DBED CN(CCNC(=O)c1coc(C(N)=O)c1)c1cncc(C#N)n1 1100244443 NNQXYNYEAHHRNR-UHFFFAOYSA-N 314.305 -0.094 30 20 DBED Cc1cc(C#N)nc(N(C)CCNC(=O)C2(C(N)=O)CC2)n1 1100293660 FUXUOTDBMYIVIK-UHFFFAOYSA-N 302.338 -0.525 30 20 DBED COCC(=O)N[C@@H](C)C(=O)NCCN(C)c1ccncc1C#N 1100378022 DGWUTYHEAJGRAA-NSHDSACASA-N 319.365 -0.343 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CC(CNC(=O)c2nc(C)c[nH]2)C1 1100744173 LRZIOJWTFWYJFS-PNESKVBLSA-N 317.393 -0.046 30 20 DBED CNC(=O)NCC(=O)NC[C@H]1CCCN1c1ccnc(C#N)n1 1100914851 CSLLXJRLQPGHPY-SNVBAGLBSA-N 317.353 -0.638 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CCN(c2ncnc3c2nnn3C)C1 1100949697 FXCBFBKGWMQHSQ-ZJUUUORDSA-N 314.353 -0.140 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CC2(CN(CC)C2)n2ccnc21 1101624307 RFQANTMUHQNRNK-GFCCVEGCSA-N 315.377 -0.386 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H]1CN(c2ncc(F)cn2)CCO1 1104330441 PFTUQUYQKLMXBR-DGCLKSJQSA-N 322.340 -0.025 30 20 DBED CC(C)[C@H](CNC(=O)[C@H](C)NC(N)=O)Nc1nccnc1C#N 1105178082 NTJMOTBTXUWULM-ONGXEEELSA-N 319.369 -0.042 30 20 DBED C#CCNCc1cn(C2CN(C(=O)Cc3ccnn3C)C2)nn1 1105223960 QDAMKYUWLLMLAD-UHFFFAOYSA-N 313.365 -0.640 30 20 DBED Cn1oc(C(=O)NC[C@H](O)CNc2ccc(C#N)cn2)cc1=O 1105797321 XAZBLKWUHDTPMZ-SNVBAGLBSA-N 317.305 -0.552 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)C2=CCOCC2)C[C@H]1C 1106042648 DHTBVDHAPFFMCU-UKRRQHHQSA-N 319.405 -0.233 30 20 DBED N#Cc1cnc(NC[C@@H](O)CNC(=O)[C@@H]2[C@H]3COC[C@H]32)cn1 1106062799 MNSJRKMRLUCIRI-DCQANWLSSA-N 303.322 -0.870 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H](O)CNC(=O)Cc1cnoc1 1106070012 IBALQDUVIMQFDU-GFCCVEGCSA-N 301.306 -0.505 30 20 DBED Cc1c[nH]c(C(=O)NC[C@H](O)CNc2nccnc2C#N)n1 1106134963 KHFDPAZWTCTJHE-SECBINFHSA-N 301.310 -0.417 30 20 DBED N#Cc1c[nH]ccc1=NC/C=C/CNC(=O)[C@H]1CCNC(=O)C1 1107122092 LZPDYEDZWGXFMQ-ISUDXETCSA-N 313.361 -0.014 30 20 DBED CN1C[C@H](C(=O)NC/C=C/CN=c2cc[nH]cc2C#N)NC1=O 1107450597 GTQWRIVHKRTYQC-YWVDXFKGSA-N 314.349 -0.517 30 20 DBED CN1C[C@H](C(=O)NC[C@@]2(C)CN(CC#N)CCO2)CCC1=O 1108422203 KPXNKHPYUWPXTG-DOMZBBRYSA-N 308.382 -0.415 30 20 DBED CNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H](C)C#N 1109080017 ISEUZHWLWQVVAG-ZNSHCXBVSA-N 307.354 -0.677 30 20 DBED CN(CCCNc1nccnc1C#N)C(=O)[C@H]1CCC(=O)N1 1109392671 UZGWDGLCGNAQPY-SNVBAGLBSA-N 302.338 -0.113 30 20 DBED CN(CCCN=c1cc[nH]c(C#N)n1)C(=O)c1cn(C)c(O)n1 1109617097 XZTRGVRGBFMUND-UHFFFAOYSA-N 315.337 -0.217 30 20 DBED C#CCNC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCN(C)C 1109672705 QGLKYGPQLIQHCM-KBXIAJHMSA-N 320.437 -0.203 30 20 DBED C#CCNC(=O)CC(=O)N[C@]1(C)CCN(c2ncccn2)C1 1110742282 ZYDKGJBCWZNPCN-OAHLLOKOSA-N 301.350 -0.299 30 20 DBED C[C@@]1(NC(=O)CCNC(N)=O)CCN(c2cnc(C#N)cn2)C1 1110760229 GLOHYCVLRVTWFX-CQSZACIVSA-N 317.353 -0.508 30 20 DBED C[C@H](C#N)C(=O)NC[C@@]1(O)CCN(c2nccnc2C#N)C1 1111041773 LMYJCLWKKCZGCO-YGRLFVJLSA-N 300.322 -0.435 30 20 DBED N#Cc1cncc(NCCN(CCO)C(=O)c2csnn2)n1 1111532929 WEMGSZPTNWBTPH-UHFFFAOYSA-N 319.350 -0.254 30 20 DBED CC(=O)NCC(=O)N(C)CCCN(C)c1cnc(C#N)cn1 1112028650 YCSVXXOVLDTCIL-UHFFFAOYSA-N 304.354 -0.231 30 20 DBED C[C@@H]1CN(c2ccnc(C#N)n2)CC[C@@H]1NC(=O)CC(N)=O 1112395439 JELKJDVBFDGBRV-ZJUUUORDSA-N 302.338 -0.445 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)c2cc(C)n(C)n2)CC1 1112653983 GDXHDMBBRMGYGP-ZDUSSCGKSA-N 317.393 -0.376 30 20 DBED CC(C)OCC(=O)NC[C@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1112709927 QQFIQYBHUNKMMJ-AAEUAGOBSA-N 319.365 -0.313 30 20 DBED C[C@@H](CNC(=O)CN1CCCC1=O)N(C)c1nccnc1C#N 1113489276 URPRPKZSWOUSSX-NSHDSACASA-N 316.365 -0.088 30 20 DBED CC(=O)N[C@H](C)C(=O)NC[C@H](C)N(C)c1ccnc(C#N)n1 1113508644 KZPXYWUANILAES-VHSXEESVSA-N 304.354 -0.186 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1)N(C)c1ccnc(C#N)n1 1113672637 NWRHMEVWPVTIKI-UWVGGRQHSA-N 302.338 -0.432 30 20 DBED CC(C)OCCCC(=O)N1CCN(CC(=O)NCC#N)CC1 1113730171 QMUCWYWVMVWGLI-UHFFFAOYSA-N 310.398 -0.024 30 20 DBED C=C(C)CCN1C[C@H]2C(NC(=O)CCS(=O)(=O)NC)[C@@H]2C1 1114273254 JRSMKZNAGYPZOZ-VXGBXAGGSA-N 315.439 -0.062 30 20 DBED CC1(C)CN(c2nccnc2C#N)C[C@@H]1NC(=O)CC(N)=O 1114427936 SXDDNZCYGPDTLA-JTQLQIEISA-N 302.338 -0.445 30 20 DBED C=CCOCCN1C[C@@H]2C(NC(=O)c3nnc(O)nc3O)[C@H]2C1 1114523662 GLOOMCDWXDSCFJ-IUCAKERBSA-N 321.337 -0.855 30 20 DBED N#Cc1cncc(NC[C@H]2C[C@H](NC(=O)CNC(N)=O)C2)n1 1114736090 YBWIKUTVCTVAPN-KYZUINATSA-N 303.326 -0.677 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3conc3C)[C@H]2C1 1114761621 MKIKCMPZJKZCRV-YABSGUDNSA-N 304.350 -0.055 30 20 DBED CCc1ncoc1C(=O)NC1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]12 1114805961 NBTSANGEJHWRSF-NXEZZACHSA-N 317.349 -0.463 30 20 DBED C=C(C)CN(C)C(=O)C(=O)NCCS(=O)(=O)CC1CC1 1118743375 YCACAWYPXPQSFQ-UHFFFAOYSA-N 302.396 -0.038 30 20 DBED C[C@@H](CN1CCOCC1)NC(=O)C(=O)N1CCC[C@@H](C#N)C1 1119745365 BECQQMCJGHUKKE-STQMWFEESA-N 308.382 -0.415 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C[C@H](C)Nc1ccc2nnnn2n1 1120094054 UYWYJVDUXLTLRO-WDEREUQCSA-N 317.353 -0.184 30 20 DBED Cc1cc(N[C@@H](CO)CNC(=O)[C@H](C)C#N)n2ncnc2n1 1121212760 IVTSWOCBHNRSOD-PSASIEDQSA-N 303.326 -0.519 30 20 DBED CN(C)CCOCC(=O)NC[C@@H](CO)Nc1ccc(C#N)cn1 1121807340 SIYDTPCSMIIRAL-ZDUSSCGKSA-N 321.381 -0.580 30 20 DBED N#Cc1nc(=N[C@@H](CO)CNC(=O)C2(C3CC3)CC2)cc[nH]1 1122170389 CCBIKKVKPUZEHH-LLVKDONJSA-N 301.350 -0.151 30 20 DBED C[C@@H]1C[C@@H](Nc2nccnc2C#N)CN1C(=O)CCNC(N)=O 1123230254 HKSQPKMWDAVVNU-NXEZZACHSA-N 317.353 -0.192 30 20 DBED COCCCNC(=O)[C@@H](C)NCCNC(=O)CSCC#N 1123799682 ZMFUVCOSQZLAFB-LLVKDONJSA-N 316.427 -0.510 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)CNC(=O)C1CC1 1124089208 XUZCBVFJSYSJPV-UHFFFAOYSA-N 322.409 -0.581 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)C1=COCCC1 1124675253 UWYMDXHGPCKOCR-LLVKDONJSA-N 324.381 -0.213 30 20 DBED Cc1nsc(NC[C@@H](O)CN(C)C(=O)c2cnn[nH]2)c1C#N 1124895458 HYUJKKWNFOWCDV-MRVPVSSYSA-N 321.366 -0.014 30 20 DBED C#CCOCCC(=O)NCCNC[C@@H]1CCCS(=O)(=O)C1 1127031928 LOTQUYFWNHQVJB-ZDUSSCGKSA-N 316.423 -0.443 30 20 DBED C#CCNCc1nnc2n1CC[C@@H](NC(=O)[C@H]1CCOC1)CC2 1127958855 MBXHIPMTHNRBSW-STQMWFEESA-N 317.393 -0.142 30 20 DBED C#CCNC(=O)CC(=O)NCc1cnn2c1CN(CCF)CC2 1128312639 SOBPWNHSPQNYKB-UHFFFAOYSA-N 321.356 -0.576 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CC(=O)N(CC)C1 1128678551 AODVMDKHXKYRHP-NEPJUHHUSA-N 310.398 -0.749 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@H]1CCn2cc(C)nc2C1 1130241188 RKTFNZGIBKEGGP-ZDUSSCGKSA-N 317.393 -0.791 30 20 DBED C#CCO[C@H](C)C(=O)NCc1c[nH]nc1[C@H]1CCN(CCO)C1 1130386695 PYFHDVVKBSRQHB-OLZOCXBDSA-N 320.393 -0.154 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)c1cn2cccnc2n1 1130802803 LZTUSMORBIMWRP-NSHDSACASA-N 316.365 -0.261 30 20 DBED COCC#CCNCCNC(=O)c1c[nH]nc1[C@@H]1CCOC1 1131907977 QNLFLYFAXDDXKX-GFCCVEGCSA-N 306.366 -0.117 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)c1cnc(C)n1C 1132892859 CVEMIJOEQABJMY-UHFFFAOYSA-N 320.397 -0.190 30 20 DBED C=CCNC(=O)CNCCNC(=O)Cc1ncccc1OC 1132905962 GUYGDKHKTYLMSH-UHFFFAOYSA-N 306.366 -0.359 30 20 DBED C#CCNC[C@@H]1CN(C(=O)c2nnc(O)nc2O)CC[C@@H]1C 1132955518 SIVVOUPASRGKCP-VHSXEESVSA-N 305.338 -0.396 30 20 DBED CNS(=O)(=O)CC(=O)N1CC[C@H](C)[C@@H](CNCC#N)C1 1133333026 BQZKRDHLYFIXSP-QWRGUYRKSA-N 302.400 -0.867 30 20 DBED CCNC(=O)CC(=O)N[C@H](C)C[C@H](C)NCC(=O)NCC#N 1134142773 GRAZENGJXAKUCX-WDEREUQCSA-N 311.386 -0.975 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)Cn1nnnc1C(C)C 1135004312 FTKYQXJJVWSJAL-NSHDSACASA-N 323.401 -0.807 30 20 DBED COCC#CCNCCNC(=O)c1ccc2oc(O)nc2n1 1147706340 XBKHNNXPCVFLMT-UHFFFAOYSA-N 304.306 -0.102 30 20 DBED CC[C@]1(C(=O)NC[C@H]2CN(CC#N)CCCO2)CCNC1=O 1149876394 ZDRWVPLCDPVFEL-WFASDCNBSA-N 308.382 -0.367 30 20 DBED C#CCO[C@H](C)C(=O)NCCCNCC(=O)NCCCOC 1157869308 JHLVXBDRLDOAOT-CYBMUJFWSA-N 313.398 -0.727 30 20 DBED CC(C)CN1CC[C@H](C(=O)NCCCNCC(=O)NCC#N)C1 1159846723 RZUMLBQQUKMWRG-AWEZNQCLSA-N 323.441 -0.300 30 20 DBED C#CCCNCC1(CCNC(=O)CN2CCOCC2=O)CC1 1165523512 VASFVELRVZZFHO-UHFFFAOYSA-N 307.394 -0.255 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)CC1=CCOCC1 1165962364 RSYQOCFVJXFEGS-ZDUSSCGKSA-N 307.394 -0.043 30 20 DBED C=CCCCNCCCNC(=O)CNS(=O)(=O)N(C)C 1167422133 NVJINWQMJHKKBK-UHFFFAOYSA-N 306.432 -0.556 30 20 DBED C=CCNC(=O)CNCCCNC(=O)CCCn1cncn1 1170296937 LLAWGYJLZNDDGI-UHFFFAOYSA-N 308.386 -0.544 30 20 DBED C=CCNC(=O)CNCCCC[C@H](C)NC(=O)[C@H]1CCNC1=O 1174658175 BWFFAYKQUFHYLC-STQMWFEESA-N 324.425 -0.311 30 20 DBED C#CCCCC(=O)N1CC[C@H]2OCCN(CC(=O)NC)[C@H]2C1 1177006174 MGCFTUDFKRRZGY-UONOGXRCSA-N 307.394 -0.162 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)C[C@@H]2CCCO2)[C@H]1C 1178174456 HHLYPEPDUARGEY-IHRRRGAJSA-N 307.394 -0.116 30 20 DBED C[C@H]1CN(C(=O)CN2C(=O)CNC2=O)CC[C@H]1CNCC#N 1185641766 RAGDZPOPPQTHTP-QWRGUYRKSA-N 307.354 -0.864 30 20 DBED CCn1cc(CC(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)cn1 1186987286 VIPIUDMFSLXKHT-CYBMUJFWSA-N 318.381 -0.724 30 20 DBED COCC#CCN1C[C@@H]2CCN(C(=O)CNC(=O)C3CC3)[C@@H]2C1 1187016135 ANMMWDXFPIHFBZ-LSDHHAIUSA-N 319.405 -0.305 30 20 DBED CC[C@H](C)OCC(=O)N1CC[C@H]2CN(CC(=O)NCC#N)C[C@H]21 1187546145 DGAXOPKKYPQVBP-MELADBBJSA-N 322.409 -0.026 30 20 DBED COCC#CCN(C)[C@H]1CCN(C(=O)c2cc(=O)n(C)cn2)C1 1190733598 JJVCZHHJATXRED-ZDUSSCGKSA-N 318.377 -0.424 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)CSC)C1 1191771396 MZUZZGXFTLMXFZ-QJPTWQEYSA-N 315.439 -0.551 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)/C=C\C2CC2)C1 1192070656 OCBYAJGHPBBPOG-ZZGMFZAASA-N 305.378 -0.748 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 1192387677 XYYJGQHDVQBYGC-KBPBESRZSA-N 308.426 -0.391 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2c(C)n[nH]c2C)C1 1192889267 UHANBIYALVACPR-CYBMUJFWSA-N 317.393 -0.078 30 20 DBED CN(CC(=O)NCC#N)[C@H]1CCN(C(=O)CCCCC(N)=O)C1 1193390921 WIWQNKCLUMKKBT-LBPRGKRZSA-N 323.397 -0.795 30 20 DBED CCN1CCO[C@@H](C(=O)N2CC[C@H](N(C)CC#CCOC)C2)C1 1194154035 JFEMBEYXGLUYSD-JKSUJKDBSA-N 323.437 -0.110 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)CCCn2ccccc2=O)C1 1195261722 GEHYZKLBFJUSHV-ZIAGYGMSSA-N 305.378 -0.024 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCO[C@H]2C=C)C1 1196300721 XDUGJOOLGGFDRW-SYQHCUMBSA-N 323.393 -0.959 30 20 DBED C=CCNC(=O)CNC[C@@H]1CN(C(=O)c2cnon2)CCCO1 1201688235 NTITTYDHIZPWDN-LLVKDONJSA-N 323.353 -0.808 30 20 DBED C#CCNC[C@H]1CN(C(=O)[C@H](C)N2CCOCC2)CCCO1 1202242254 BXWCSBYLSFLMDR-GJZGRUSLSA-N 309.410 -0.453 30 20 DBED CC#CCN[C@H]1C[C@H]2CC[C@H]1N(C(=O)c1nnc(O)nc1O)C2 1204529121 SKMGXENQJWANOK-OUAUKWLOSA-N 317.349 -0.111 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)Cn2cccn2)C1 1207296477 FFHMEYDIPXFHIH-CYBMUJFWSA-N 305.382 -0.234 30 20 DBED C=CCNC(=O)NC(=O)CN[C@@H]1CCCN(C(=O)[C@H](C)C#N)C1 1207688871 SZHYCSCKGKQQEU-VXGBXAGGSA-N 321.381 -0.262 30 20 DBED N#CCNC(=O)CN[C@H]1CCCN(C(=O)C[C@H]2COC(=O)C2)C1 1207814696 XJQPMDGKMFDQBS-NEPJUHHUSA-N 322.365 -0.840 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)[C@H](CC)N(C)C)[C@H](C)C1 1208699880 YEDJNCRPOYUBTA-MCIONIFRSA-N 308.426 -0.488 30 20 DBED CC#CCN[C@@H]1CCCN(C(=O)c2cn(C)c(=O)n(C)c2=O)C1 1209923058 YJOOTLDKFTULGT-GFCCVEGCSA-N 318.377 -0.699 30 20 DBED CCCCNC(=O)CN1C[C@@H](NC(=O)[C@H](C)C#N)[C@H](OC)C1 1212039743 RFUOAVMNBIDHHK-JHJVBQTASA-N 310.398 -0.122 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(C[C@@H](F)CC)C[C@H]1OC 1212149855 JAOXZRLNMVDKJU-YNEHKIRRSA-N 313.373 -0.311 30 20 DBED C=CCN1C[C@@H](NC(=O)[C@@H](Cn2cccn2)N(C)C)[C@H](OC)C1 1212405717 AOUWKCCNJDWEQG-RBSFLKMASA-N 321.425 -0.185 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H](C)n2cncn2)C[C@H]1C 1214456562 IXSYWMMLAJJNQA-JHJVBQTASA-N 320.397 -0.422 30 20 DBED C#CCCCC(=O)N1C[C@@H](N[C@@H](C)C(=O)NC(N)=O)[C@H](C)C1 1214527022 DPKNWEIZLOLGRB-GRYCIOLGSA-N 308.382 -0.190 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)C1CC=CC1 1217573404 RXLNNNGKJADIIT-LSDHHAIUSA-N 317.389 -0.386 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(Cc2nnc(C)o2)C[C@@H]1O 1219527039 HJMUNFPTXXBIGB-UHIISALHSA-N 310.354 -0.634 30 20 DBED CCN(CC)C(=O)CN1C[C@H](O)[C@H](NC(=O)C#CC(C)C)C1 1219581515 OYDXDEJBEITJNB-KGLIPLIRSA-N 309.410 -0.325 30 20 DBED CCn1ncnc1CN1C[C@H](O)[C@H](NC(=O)C#CC2CC2)C1 1219591513 ICLTXJDMSZGZNE-OLZOCXBDSA-N 303.366 -0.627 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)CCCC(=O)NCCC)C1 1220786805 MLJMAOYDHCGRPV-KGLIPLIRSA-N 309.410 -0.133 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)c2cnns2)CC1 1226259290 HYWZAKBGJRMSQM-UHFFFAOYSA-N 307.379 -0.518 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)[C@H]2C[C@@]23CCOC3)CC1 1229927463 UCYZIFBDMUZZDH-RHSMWYFYSA-N 319.405 -0.257 30 20 DBED C=CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)c1cnns1 1230856112 VGWFVDXHFJKFKR-SNVBAGLBSA-N 309.395 -0.013 30 20 DBED C#CCN1CCN(c2nnc(CC(C)(C)O)n2CCOC)CC1 1263203664 IEAPHCGTVJVANC-UHFFFAOYSA-N 321.425 -0.007 30 20 DBED C=CCNC(=O)CN1CCC[C@@H](NC(=O)[C@@H](C)CC(N)=O)C1 1265219735 BCCKTFGSLUDQOZ-NWDGAFQWSA-N 310.398 -0.619 30 20 DBED CCCNC(=O)CNC(=O)NCCN/C(O)=C1/N=CC=CC1=O 1318456010 ZWBBNBRNZBGZML-SEYXRHQNSA-N 323.353 -0.662 30 20 DBED CSC[C@@H](CCO)NC(=O)C(=O)Nc1cnn(CC#N)c1 1319960135 LIXVZNSHKDJJRQ-SECBINFHSA-N 311.367 -0.425 30 20 DBED C#CCC[C@H](O)CNC(=O)C(=O)Nc1c2c(nn1C)CCC2 1321178764 PSGHTJFNHCJFRP-JTQLQIEISA-N 304.350 -0.262 30 20 DBED C#CCSCCNC(=O)C(=O)N[C@@H]1CCOC[C@@H]1OCC 1323277448 IPSNTUVPPOTSNX-NEPJUHHUSA-N 314.407 -0.221 30 20 DBED C=CCN(C(=O)C(=O)N1CCC(O)(CO)CC1)[C@H](C)COC 1327399966 LXUWQMXEMTVWIM-GFCCVEGCSA-N 314.382 -0.618 30 20 DBED C=CCOCCNC(=O)C(=O)N[C@H]1CCO[C@@]2(CCOC2)C1 1327782132 FTDPSJYYNRQSHR-WFASDCNBSA-N 312.366 -0.241 30 20 DBED C=C(C)CN(C)C(=O)C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 1328455698 IMWXJZBDLBOMRM-NSHDSACASA-N 317.411 -0.439 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)NCc1cc(C)[nH]n1 1328756953 RIYMJJXKIAEYQB-UHFFFAOYSA-N 314.367 -0.949 30 20 DBED C=CC[C@H](CC)NC(=O)C(=O)N1CCN(C(C)(C)C(N)=O)CC1 1328936813 ZZBXGCCXQOXCAO-LBPRGKRZSA-N 324.425 -0.135 30 20 DBED C=CCN(CC=C)C(=O)C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 1328984297 QBTGUFQZTWPYDG-LLVKDONJSA-N 315.395 -0.663 30 20 DBED C#CCN1CCC[C@@H](NC(=O)N2CC[C@H](S(C)(=O)=O)C2)C1 1333216728 YBYXKTBSOCIYJX-OLZOCXBDSA-N 313.423 -0.088 30 20 DBED CCCN(CC(=O)NC)C(=O)CCN/C(O)=C1/N=CC=CC1=O 1339417202 RBBLKQCBXIYUQS-PFONDFGASA-N 322.365 -0.113 30 20 DBED C=CCn1c(N2CCN(C(C)=O)CC2)nnc1[C@@](C)(O)COC 1340472907 KXURWHJUTJASQS-HNNXBMFYSA-N 323.397 -0.014 30 20 DBED C#C[C@@H](NC(=O)C1(CS(C)(=O)=O)COC1)[C@H]1CCCO1 1346762779 CCWYPHCHKHNWHF-GHMZBOCLSA-N 301.364 -0.655 30 20 DBED C=C(C)Cn1nnnc1N1CCC[C@H](NS(C)(=O)=O)C1 1352156998 BSXRQXPTXRIUNA-JTQLQIEISA-N 300.388 -0.233 30 20 DBED C[C@@H]1CN(C(=O)CCn2cc(C#N)c(O)nc2=O)CC[C@H]1O 1362688607 PNMBEFUBGJCWJL-MWLCHTKSSA-N 306.322 -0.560 30 20 DBED N#CCOc1ccc(CC(=O)NC[C@@H](O)Cn2ccnn2)cc1 1362816527 DNLHGPJRPABQNQ-CYBMUJFWSA-N 315.333 -0.100 30 20 DBED Cc1cc(NC(=O)CN(C)c2[nH]c(=O)n(C)c(=O)c2C#N)no1 1364532734 MXUFIGCZTJYWEV-UHFFFAOYSA-N 318.293 -0.683 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](C1CC1)N(C)C(=O)Cn1ncnn1 1370407085 NHOSQBOODVZKOM-MWLCHTKSSA-N 305.342 -0.814 30 20 DBED COc1nccc(C(=O)N2CC[C@@H](NC(=O)[C@@H](C)C#N)C2)n1 1372044886 WPWJVOQJTXUNGN-VHSXEESVSA-N 303.322 -0.024 30 20 DBED C=C(Cl)CNC[C@H]1CN(C(=O)[C@H]2CCC(=O)N2)CCO1 1376852710 HZYBJRKQNKMHTG-WDEREUQCSA-N 301.774 -0.166 30 20 DBED CC(=O)NCC(=O)NC[C@@H](C)N(C)C(=O)c1ccc(C#N)[nH]1 1382880293 SPMCGJKHOPAWJS-SECBINFHSA-N 305.338 -0.401 30 20 DBED CNC(=O)NCC(=O)NCC1CCN(C(=O)[C@@H](C)C#N)CC1 1385478367 ZLXRLWIVDOHXKY-JTQLQIEISA-N 309.370 -0.570 30 20 DBED C[C@H](C#N)C(=O)NCC1CN(C(=O)CCCC(=O)N(C)C)C1 1387927533 XGDPZKZQLFQNBV-LLVKDONJSA-N 308.382 -0.021 30 20 DBED C=C(Cl)CN1CC[C@@H](NC(=O)CS(=O)(=O)CCOC)C1 1405066367 SCUBBKPYOWLAAY-LLVKDONJSA-N 324.830 -0.009 30 20 DBED COCCN(CCC#N)S(=O)(=O)N(C)C(C)(C)C(N)=O 1414272314 WHLQASDAYYSGNV-UHFFFAOYSA-N 306.388 -0.711 30 20 DBED CNC(=O)NCC(=O)NC1(CNC(=O)[C@H](C)C#N)CCCC1 1416325779 RLRXZGOEOJJOJK-SNVBAGLBSA-N 309.370 -0.380 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CCCN1C(=O)[C@H]1CCCC(=O)N1 1416402540 FCKGPZFMYIBEBE-QJPTWQEYSA-N 306.366 -0.078 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(O)(CN[C@H](C)C(=O)N(C)C)CC1 1440628221 NNDZXMBFPVTXMI-NWDGAFQWSA-N 310.398 -0.434 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1ocnc1C1CC1 1458037192 QKGRZYVHZCGGNW-WPRPVWTQSA-N 306.322 -0.081 30 20 DBED N#Cc1cn(CC(=O)N2CC[C@@H](O)C23CCCC3)c(=O)nc1O 1468551473 KJKUNXDZZLDIGA-LLVKDONJSA-N 318.333 -0.273 30 20 DBED CN(C[C@@H](O)CNC(=O)c1ccc(C#N)[nH]1)C(=O)c1cocn1 1488339914 VIOQFQTXJXNLEY-JTQLQIEISA-N 317.305 -0.263 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]1CN(C)C(=O)CN1CCCC1=O 1489710613 BDRTWIZAVCZDAB-NEPJUHHUSA-N 306.366 -0.172 30 20 DBED CC(C)CNC(=O)NC(=O)CN1CC(NC(=O)[C@H](C)C#N)C1 1494359729 VUSXKXAOACCBJD-SNVBAGLBSA-N 309.370 -0.572 30 20 DBED C=CCNC(=O)CN1CCC[C@@H](NC(=O)Cc2nnc(C)o2)C1 1567762708 GNNWBNXFULJHOY-GFCCVEGCSA-N 321.381 -0.197 30 20 DBED N#C[C@@]12CN(C(=O)[C@H]3CC[C@H]3C(=O)O)C[C@H]1CS(=O)(=O)C2 1571112670 PWPHSQPXJTVVDV-XHSYRHOGSA-N 312.347 -0.506 30 20 DBED C=CCCC(=O)N[C@H](C)CNC(=O)CC(=O)NCc1cnn[nH]1 1575088012 SMVKIDVFTSEONB-SNVBAGLBSA-N 322.369 -0.602 30 20 DBED C#CC1(O)CN(C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 1588333347 MVZRRAQFHRAKFZ-GFCCVEGCSA-N 315.333 -0.714 30 20 DBED C=CCOC[C@H](NC(=O)N(C)[C@@H]1CCS(=O)(=O)C1)C(=O)O 1588857283 WOCKNYZQNIXMHO-ZJUUUORDSA-N 320.367 -0.529 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)NC[C@]1(C(=O)O)CCOC1 1589330790 QNZSUSMHPYMXKD-MWLCHTKSSA-N 305.356 -0.596 30 20 DBED CN(C)C(=O)COC1CN(c2ccc(C(=O)O)nc2C#N)C1 1598130234 BEGYARXECWTFIY-UHFFFAOYSA-N 304.306 -0.055 30 20 DBED N#CCNC(=O)CNC1(CNC(=O)[C@@H]2C[C@H]2C(=O)O)CCCC1 1601074661 LGVJCVPAEQCWRI-GHMZBOCLSA-N 322.365 -0.635 30 20 DBED C#CC1(O)CN(S(=O)(=O)c2cc(OC)ccc2C(=O)O)C1 1602677332 UKVLPZKJTQLXQJ-UHFFFAOYSA-N 311.315 -0.238 30 20 DBED C#CCNC(=O)[C@@H](C)OC(=O)c1cc(-c2nn[nH]n2)ccn1 1602722387 PIRHMMGAUMINDL-MRVPVSSYSA-N 300.278 -0.444 30 20 DBED COCC(=O)N1CCN(C(=O)NCC2(C#N)CCOCC2)CC1 1646958064 ISDXYJZCTQJEBR-UHFFFAOYSA-N 324.381 -0.193 30 20 DBED C#CCNC(=O)CN1CCC[C@@H](NC(=O)c2n[nH]cc2F)C1 1660841658 GVNSPBJGXMBLIW-SNVBAGLBSA-N 307.329 -0.508 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)c2cnn(C)c2Cl)C1 1713825530 HJJSPYDCTHAVLW-SNVBAGLBSA-N 323.784 -0.373 30 20 DBED C=CCNC(=O)NC(=O)CN1CC[C@@H](NC(=O)CCCF)C1 1715004365 PPRDONRAAPCYAS-LLVKDONJSA-N 314.361 -0.062 30 20 DBED N#CCNC(=O)CN[C@H]1C[C@@H](NC(=O)C[C@@H]2CCCOC2)C1 1752774487 ZHCGKIGHVSIAED-RWMBFGLXSA-N 308.382 -0.320 30 20 DBED C=CCNC(=O)CN[C@H](C)CNC(=O)c1ccc(C(N)=O)o1 1752887318 VNQMBBKVRBVWJM-SECBINFHSA-N 308.338 -0.611 30 20 DBED C#CCNC[C@@]1(C)CCN(C(=O)[C@H](CCC)S(N)(=O)=O)C1 1754700271 CXDGHURDVFKCCE-GXTWGEPZSA-N 315.439 -0.095 30 20 DBED C=CCNC(=O)CNC[C@]1(C)CCN(C(=O)Cc2nc[nH]n2)C1 1754707554 IXZSCJDLAXKCRZ-HNNXBMFYSA-N 320.397 -0.522 30 20 DBED C=CCNC(=O)[C@H](C)N1CCC[C@@](C)(CNC(=O)CC(N)=O)C1 1754723608 LDBFFNCIFNLKFL-LRDDRELGSA-N 324.425 -0.229 30 20 DBED C#CCN[C@]1(CO)CCCN(C(=O)c2cnn3cccnc23)C1 1755087302 SXVVCKMBMADFAF-MRXNPFEDSA-N 313.361 -0.081 30 20 DBED C=CCNC(=O)CN[C@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@@H]1C 1755109562 CALPOENZMZAJBW-QWRGUYRKSA-N 310.398 -0.763 30 20 DBED C#CCCN[C@@H]1CN(C(=O)CN(C)S(C)(=O)=O)CC1(C)C 1755757241 LAQPUYBVWLACTD-GFCCVEGCSA-N 315.439 -0.272 30 20 DBED C=CCCNC[C@H](O)CN(C)C(=O)[C@@H]1CCCCS1(=O)=O 1755780328 CWMMWMZYXCFZNS-STQMWFEESA-N 318.439 -0.061 30 20 DBED CC(C)(C)C#CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2n[nH]cc2F)C1 1757033266 ZXNSFHAJHLFIKX-GHMZBOCLSA-N 322.340 -0.100 30 20 DBED C#CCCCCC(=O)N1C[C@H](O)[C@H](NC(=O)Cn2cccn2)C1 1757154046 ASKDFTAYQOBVKX-KGLIPLIRSA-N 318.377 -0.235 30 20 DBED CN(C)CCCC(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 1757205445 YIOYGQXQHUWUBA-KGLIPLIRSA-N 307.394 -0.571 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H]2CC[C@H]1[C@@H]1CN(C(C)=O)C[C@@H]21 1757425902 YIIJPKCEOPGNQL-BARDWOONSA-N 317.389 -0.159 30 20 DBED C[C@@H]1CCCN(C(=O)CCNC(=O)Cn2cnc(C#N)n2)C1 1772478304 NJGDXURXBDNQGH-LLVKDONJSA-N 304.354 -0.085 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cncnc1)C2 1800450724 DLWKCQKJMBOEBQ-YWVIFJGQSA-N 314.345 -0.758 30 20 DBED CCS(=O)(=O)CC(=O)N1CC2(CCCN2C(=O)CC#N)C1 1842620517 GFJNQXCLQFKBIG-UHFFFAOYSA-N 313.379 -0.462 30 20 DBED CC(=O)N1CCN(C(=O)[C@H](C)O/N=C(\N)C(F)(F)F)CC1 89506911 NSTDWAHQXFEFRD-ZETCQYMHSA-N 310.276 -0.083 30 20 DBED C[C@H](CO[C@@H]1CCOC1)Nc1c(C#N)c(=O)n(C)c(=O)n1C 133843961 QWSARUSUUCJDNS-NXEZZACHSA-N 308.338 -0.438 30 20 DBED CC#CCNC(=O)NCCN1CCN(c2ncccn2)CC1 135145554 ZGRNMJFEIAYEOZ-UHFFFAOYSA-N 302.382 -0.079 30 20 DBED C#CC[C@H](NC(=O)CS[C@@H]1CCS(=O)(=O)C1)C(=O)O 149697236 AIQDJJNEVLUIQL-BDAKNGLRSA-N 305.377 -0.501 30 20 DBED N#Cc1cc(NC(=O)C(=O)N2CCN(CCO)CC2)ccc1F 180916146 PAQCDNNPTJAANL-UHFFFAOYSA-N 320.324 -0.228 30 20 DBED C=CCSCCNC(=O)CNS(=O)(=O)CCCOC 269278569 OZDIGVFOTYAXAE-UHFFFAOYSA-N 310.441 -0.022 30 20 DBED C#CCNC(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F 285207629 WMHVHOTVBXRHSV-SSDOTTSWSA-N 301.290 -0.259 30 20 DBED CN1CC[C@@H]2CCN(C(=O)NCCn3cnc(C#N)n3)[C@H]2C1 287934209 SDXWCZSOKBYHSF-NEPJUHHUSA-N 303.370 -0.115 30 20 DBED CC[C@H](C)N/C(N)=N/CCNS(=O)(=O)Cc1ccon1 304788345 JHWCUIPFTGNYNO-VIFPVBQESA-N 303.388 -0.203 30 20 DBED CN1C[C@H](/N=C(/O)N2CCN(C)[C@H](c3nccn3C)C2)CC1=O 329965372 RBITWAJZPYFPCD-NEPJUHHUSA-N 320.397 -0.147 30 20 DBED CN(C)S(=O)(=O)CCCS(=O)(=O)N1CC(C)(C#N)C1 332040075 JJJFSVVWWJIGPL-UHFFFAOYSA-N 309.413 -0.557 30 20 DBED CCN(CCC#N)S(=O)(=O)N[C@H]1CCC[C@@H]1C(=O)NC 336883064 GFCNPAGBBKXHRN-QWRGUYRKSA-N 302.400 -0.029 30 20 DBED COC[C@](C)(NS(=O)(=O)N(C)C[C@H](C)C#N)C(=O)OC 336942923 KXFBCAGHHOQKEE-KOLCDFICSA-N 307.372 -0.510 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)NCC1(N2CCOCC2)CC1 337765920 MOBWVBDBKMZZTE-GFCCVEGCSA-N 316.427 -0.080 30 20 DBED C=CCNC(=O)NC(=O)CSC[C@H](NC(C)=O)C(=O)OC 340714398 UIQQTLZXULNFAR-VIFPVBQESA-N 317.367 -0.591 30 20 DBED CC[C@H]1CN(C(=O)C(=O)Nc2cc(C)n(CCC#N)n2)C[C@@H]1O 340752095 YUDXEJZVHZQBLQ-RYUDHWBXSA-N 319.365 0.273 30 20 DBED C=CC[C@H](CO)CNS(=O)(=O)c1cnn(CC(=O)OC)c1 341162827 BEAXTPAMSQVKCA-JTQLQIEISA-N 317.367 -0.481 30 20 DBED CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N[C@@H](C)CC#N 345005931 TVBCXOBXJVSPTO-JTQLQIEISA-N 318.399 -0.761 30 20 DBED C=CCNC(=O)CNC(=O)c1cc(S(=O)(=O)NC)oc1C 347894466 YHBDWTOEJCSAGP-UHFFFAOYSA-N 315.351 -0.472 30 20 DBED CN(C[C@H](O)CN(CCC#N)CCN1CCOCC1)C1CC1 351522155 XFZJGIGERYPUPL-INIZCTEOSA-N 310.442 -0.011 30 20 DBED COC(=O)Cn1ccc(NC(=O)Cc2noc(C)c2C#N)n1 354507889 IVHLAUWWRHUTMT-UHFFFAOYSA-N 303.278 0.405 30 20 DBED C=C[C@@H](CO)NC(=O)C(=O)Nc1cccc(Cn2cncn2)c1 354698336 UVHPYMKLTMOUET-LBPRGKRZSA-N 315.333 -0.072 30 20 DBED C=C(C)CN(C)C(=O)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O 355973446 LOSXUPBHWFXDRJ-GFCCVEGCSA-N 319.365 -0.324 30 20 DBED COC(=O)Cn1cc(CNC(=O)c2ccnc(C#N)c2)nn1 356523028 VYDXQQPYPVTFFT-UHFFFAOYSA-N 300.278 -0.352 30 20 DBED C=C[C@@H](CO)NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 356862298 PQIRAPCSVZFOKO-VIFPVBQESA-N 321.289 -0.017 30 20 DBED C=CCOC[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)OC 360622328 XCVIANTXBWVVBH-SNVBAGLBSA-N 303.340 -0.557 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N1CCS(=O)(=O)[C@H](C)[C@@H]1C 407956493 MCZPJXIOAGINRT-OUAUKWLOSA-N 323.440 -0.170 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCC[C@@]2(C)CO)C1=O 427010299 XVCJRKBQMFMVNL-BMIGLBTASA-N 323.349 -0.370 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)c2cc(C)ncn2)CC1 490840967 RBOOXFJVBUWARZ-UHFFFAOYSA-N 315.377 -0.318 30 20 DBED C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ncn(C)n2)cc1 491095862 NAEKQVJCXDEYEC-UHFFFAOYSA-N 319.346 -0.021 30 20 DBED C#CCN1CCN(C(=O)CN2C(=O)N[C@H](CCC)C2=O)CC1 491316842 YBHZIHYJYFLRPM-GFCCVEGCSA-N 306.366 -0.516 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)C#Cc2ccccc2)CC1 491475670 YSHGGGOLFAMINI-UHFFFAOYSA-N 309.369 -0.068 30 20 DBED C#CCN(C)CCCNC(=O)N1CCN([C@H]2CCNC2)CC1 491641982 UXTPOFWVMBBYCH-HNNXBMFYSA-N 307.442 -0.369 30 20 DBED C[C@@H](C(=O)NCC1CCN(CC#N)CC1)N1C(=O)CCC1=O 531792112 CNBRFDKINQMADM-NSHDSACASA-N 306.366 -0.124 30 20 DBED COC(=O)[C@H](CO)NCCS(=O)(=O)c1ccc(C#N)cc1 563139635 APEYCGSPNRWPQN-LBPRGKRZSA-N 312.347 -0.545 30 20 DBED CCC(=O)C[C@@H](NS(=O)(=O)N(C)[C@H](C)CC#N)C(=O)O 567593143 RTNVWNIDYNBSNE-PSASIEDQSA-N 305.356 -0.123 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)N[C@@]2(C(N)=O)CCOC2)cc1 569117820 OVYKTKNBJDCJII-HNNXBMFYSA-N 316.317 -0.951 30 20 DBED N#Cc1nccc(N2CCN(C(=O)C(=O)NC3CC3)CC2)n1 570292686 PYHRPDXEQVTXJP-UHFFFAOYSA-N 300.322 -0.725 30 20 DBED C=CCOCCCN1CCO[C@@H](CNc2nccn(C)c2=O)C1 577001507 MDIKXZBOLXIHAA-AWEZNQCLSA-N 322.409 0.486 30 20 DBED N#Cc1ccc(C2(C(=O)N[C@@H]3CS(=O)(=O)C[C@H]3O)CC2)cc1 577504156 FTEZDKWWIJGIKG-CHWSQXEVSA-N 320.370 -0.136 30 20 DBED N#CCC1(CS(=O)(=O)NCCC(=O)NCC(=O)O)CC1 578446394 PPKYJOSHQDBGNF-UHFFFAOYSA-N 303.340 -0.809 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1CC[C@H](C)[C@@H]1C(=O)O 593270190 ZSTHVCRDLDFRCY-WDEREUQCSA-N 319.383 -0.112 30 20 DBED CC(C)[C@H](C#N)N1CCN(C(=O)C2(S(N)(=O)=O)CC2)CC1 593443042 CGAVWCSDBHDGLE-NSHDSACASA-N 314.411 -0.500 30 20 DBED C=CCCSCCNC(=O)C(=O)NC[C@@H]1CNCCO1 595284405 QKILNZJEYXHLLW-NSHDSACASA-N 301.412 -0.484 30 20 DBED C=C[C@H](C(=O)OC)N1CCN(S(=O)(=O)CCCOC)CC1 619719130 XEIFDYXLMOUHSJ-GFCCVEGCSA-N 320.411 -0.302 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2CC[C@H](C(=O)N(C)C)O2)nn1 648345545 XVZSWYQRHORVFO-CMPLNLGQSA-N 307.354 -0.170 30 20 DBED CNC(=O)CNC(=S)NN=Cc1ccc([N+](=O)[O-])c(O)c1 731927720 PPFHLILJMCHCNR-UHFFFAOYSA-N 311.323 -0.156 30 20 DBED C=CCS(=O)(=O)CCNC(=O)c1ccc(-n2cncn2)nc1 783617692 GQHXHSYUYJNTGD-UHFFFAOYSA-N 321.362 -0.007 30 20 DBED C#C[C@H](NC(=O)C(=O)NCCN(CC)C1CC1)[C@H]1CCCO1 804224097 WXNNYBCEICOWGA-UONOGXRCSA-N 307.394 -0.116 30 20 DBED CC#CCS(=O)(=O)NC(=O)c1cccc(OCC(N)=O)c1 810777428 BSKGTCSAXKWCCB-UHFFFAOYSA-N 310.331 -0.366 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCS2)CC1 831564786 HICZKQZRTAUSIQ-NSHDSACASA-N 317.436 -0.506 30 20 DBED CN(C)S(=O)(=O)c1ccc(C(=O)N[C@H]2CNC[C@@H]2C#N)o1 834516373 ICLBBXFHAHUUJW-IUCAKERBSA-N 312.351 -0.629 30 20 DBED CC#CC[C@H](CO)NC(=O)C(F)(F)C(=O)N1CCOCC1 843314826 KXCJUUSQBRMAIM-SNVBAGLBSA-N 304.293 -0.629 30 20 DBED Cc1nn(CC(=O)OCC(=O)N[C@](C)(C#N)C2CC2)c(=O)n1C 848846963 PSJHYAJJGGDSQN-CQSZACIVSA-N 321.337 -0.758 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)Nc1ccc(=O)n(C)c1 850725240 DZUAUKLPIFSRHL-UHFFFAOYSA-N 305.334 -0.178 30 20 DBED C#CC1(O)CN(C(=O)NC[C@H](C)CN2CCN(CC)CC2)C1 893237973 KEIYSHWEYOAINM-AWEZNQCLSA-N 308.426 -0.351 30 20 DBED O=C(C#Cc1ccc2c(c1)OCO2)NCCN1CCNC1=O 894581161 KNCOLUGHOXOVCK-UHFFFAOYSA-N 301.302 -0.092 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(C[C@](C)(O)C(F)F)c1=O 905903995 JJIICSMILUHIOL-ZDUSSCGKSA-N 317.292 -0.440 30 20 DBED C#CC[C@@H]1NC(=O)N(C2CCN(CC(=O)N(C)C)CC2)C1=O 927498239 XTRIQULTROCDIG-LBPRGKRZSA-N 306.366 -0.517 30 20 DBED CO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1NC(=O)c1cnsn1 941272518 WLRGPRACFJWSLA-SZEHBUNVSA-N 309.351 -0.347 30 20 DBED C#CCN1CC[C@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)[C@H](C)C1 943986845 HEPFHXDZFNKVGW-NEPJUHHUSA-N 320.393 -0.223 30 20 DBED C[C@H](C#N)C(=O)N1CCC2(CC1)CN(C(=O)Cn1cncn1)C2 945035067 IJOMPGJRPWDLIT-GFCCVEGCSA-N 316.365 -0.111 30 20 DBED Cn1ncc(C(=O)NC[C@@H]2CCN2C(=O)c2cc(C#N)c[nH]2)n1 951087820 YUEHIUANYUOFNL-JTQLQIEISA-N 313.321 -0.341 30 20 DBED CN(C(=O)c1cnnn1C)C1CN(C(=O)c2cc(C#N)c[nH]2)C1 954184724 QJBVYEYQWKJZEU-UHFFFAOYSA-N 313.321 -0.389 30 20 DBED C[C@@H](C#N)C(=O)N1CC(N(C)C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 955352600 UZOHNIYJKBIMCB-AXFHLTTASA-N 306.366 -0.283 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2CN(CC(=O)NC)C[C@@H]2O)cc1 958303158 BPSGWNDYDXMZCL-CABCVRRESA-N 315.373 -0.564 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H]2[C@H]1CCN2C(=O)Cn1ncnn1 963533797 GWMKTWLJDDVEGO-GRYCIOLGSA-N 317.353 -0.575 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)Cc3cnc[nH]3)C[C@@H]2O)C1 970398349 DGBWGQPTVIGEJP-OLZOCXBDSA-N 318.377 -0.004 30 20 DBED C=C(Cl)CN(C)[C@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 971704568 TWEPLOKPBIEAPM-UWVGGRQHSA-N 314.773 -0.130 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)CCc3cnn(C)n3)C2)C1 972553589 HOHAFFIRLPLXIH-MRXNPFEDSA-N 317.393 -0.316 30 20 DBED CN(C[C@@H]1CCN1C(=O)c1nc[nH]n1)C(=O)c1cc(C#N)c[nH]1 977521379 RHBGMLWGZMPOAV-JTQLQIEISA-N 313.321 -0.009 30 20 DBED CN(C(=O)[C@@H]1CCNC1=O)[C@H]1CCCN(C(=O)C#CC2CC2)C1 984190698 SKUSOFPITZNHCS-UONOGXRCSA-N 317.389 -0.015 30 20 DBED C#CCN(C)C1CCN(C(=O)CN2CCN(C)C(=O)C2)CC1 985507435 XMPJMZCITBEUML-UHFFFAOYSA-N 306.410 -0.684 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)C3(C(N)=O)CC3)C[C@@H]2C1 986581764 LKJHIVIUYHZSQK-UTUOFQBUSA-N 318.377 -0.282 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)Cn3nccn3)C[C@H]2C1 986596259 OSXASSHDRBYDGW-XQQFMLRXSA-N 316.365 -0.255 30 20 DBED C#CCN1CCC(C(=O)N2CC(NC(=O)[C@@H]3CCCO3)C2)CC1 990166832 VFJCGKDXAPNXOF-HNNXBMFYSA-N 319.405 -0.162 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(NC(=O)Cn2nccn2)C1 991948196 CSUMUSJAORDSSI-OLZOCXBDSA-N 319.365 -0.414 30 20 DBED C[C@H](NC(=O)[C@@H]1CN(C)C(=O)N1)C1CN(C(=O)C#CC2CC2)C1 1006569898 MWYVPMBVQQBCPN-GWCFXTLKSA-N 318.377 -0.614 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CC[C@H]1CN2C(=O)c1cn(C)nn1 1007299182 AEVFEWHGTQYILB-OUAUKWLOSA-N 302.338 -0.210 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CN(C(=O)C(N)=O)CC1(C)C 1008197700 YYXIRBZJLQGLJY-SRVKXCTJSA-N 323.393 -0.194 30 20 DBED COCC(=O)N1CCO[C@H]([C@@H](C)NC(=O)c2cc(C#N)c[nH]2)C1 1009614055 VKBSZCMBFRHDJM-MFKMUULPSA-N 320.349 -0.122 30 20 DBED C#Cc1ccc(C(=O)N2C[C@H]3C(NC(=O)c4nc[nH]n4)[C@@H]3C2)nc1 1013583873 OHIRSXAGJOYBHT-GHMZBOCLSA-N 322.328 -0.319 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)CN2CCCS2(=O)=O)C1 1014641868 AREIYVSFESGGFO-GFCCVEGCSA-N 301.412 -0.212 30 20 DBED CC(=O)N1CCO[C@@H](C(=O)N2[C@H]3CC[C@H]2CN(CC#N)C3)C1 1018226978 XPMJTTLIGHQEDU-MELADBBJSA-N 306.366 -0.568 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](NCc2nnn(C)n2)C1 1018865546 MWPLKXZYDXUVHA-XQQFMLRXSA-N 320.397 -0.118 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CN(C(=O)CC3CC3)C[C@H]2O)c[nH]1 1023454982 APBZDJMMXJXSKX-CHWSQXEVSA-N 302.334 -0.012 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)/C(C)=C/C)C[C@H]1O 1024357910 ZDIXUJZBRMZGCM-VFSNDYEFSA-N 319.405 -0.262 30 20 DBED C=CCN1CCO[C@@H](CNC(=O)c2ccc3nn[nH]c3n2)C1 1035390424 FFNVKEWXQXKCKX-JTQLQIEISA-N 302.338 -0.031 30 20 DBED C=C(C)CN[C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C[C@@H]1C 1036040675 URDYAJGNJZOUIC-NWDGAFQWSA-N 320.397 -0.220 30 20 DBED C#CCCN1CC[C@@H]2CN(C(=O)Cn3cnnc3O)CC[C@H]21 1036693515 XVRBCNDRYXLKBM-CHWSQXEVSA-N 303.366 -0.070 30 20 DBED Cn1cnn(CC(=O)N2CC[C@H]3[C@H](CCN3CC#N)C2)c1=O 1036753635 TZEIQSDSQTVZHO-NEPJUHHUSA-N 304.354 -0.972 30 20 DBED C#CCN1CC[C@H]2CN(C(=O)c3ccc(=O)n(C)n3)CC[C@H]21 1036887607 ULGFJSSOCXSQFI-GXTWGEPZSA-N 300.362 -0.050 30 20 DBED C#CCCCC(=O)NC[C@]1(O)CCN(C(=O)CCOCC#C)C1 1039576813 XZQJMVYXNLVADJ-QGZVFWFLSA-N 320.389 -0.091 30 20 DBED C[C@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)CC2(O)CCC2)C1 1040764070 UDFJTJAMJNIIFM-IAQYHMDHSA-N 309.366 -0.469 30 20 DBED C=C1CC(C)(C(=O)NC[C@]2(O)CCN(C(=O)CNC(N)=O)C2)C1 1040850849 RCUWTFXPUWBRPV-OAHLLOKOSA-N 324.381 -0.909 30 20 DBED C#CCCCC(=O)N1CC[C@](O)(CNC(=O)Cc2cnc[nH]2)C1 1041034263 AMUASQBCAUBOOV-INIZCTEOSA-N 318.377 -0.165 30 20 DBED C=C[C@@H](C)[C@H](C)C(=O)N1CC(O)(CNC(=O)CNC(C)=O)C1 1041216572 ZUGNWCFHVVSQMF-MNOVXSKESA-N 311.382 -0.730 30 20 DBED C=CCn1cc(C(=O)N2CC[C@@]3(CCN(CCO)C3)C2)nn1 1041729973 ZCMUHPYNIJZMTP-OAHLLOKOSA-N 305.382 -0.006 30 20 DBED Cn1cc(C(=O)N2CC[C@]3(CCN(CC#N)C3)C2)n(C)c1=O 1041847542 AWHBWDAUNICFEM-HNNXBMFYSA-N 303.366 -0.215 30 20 DBED C=CCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]2C(=O)OC)C1 1041984506 MZGPMWLBQJETOE-VXGBXAGGSA-N 324.377 -0.159 30 20 DBED Cc1nn(CC(=O)N2CC[C@H]3CCN(CC#N)[C@@H]3C2)c(=O)n1C 1042331407 BOSNASVEOZOIIF-CHWSQXEVSA-N 318.381 -0.663 30 20 DBED N#Cc1cc(C(=O)N2CC(O)(CNC(=O)C#CC3CC3)C2)c[nH]1 1042957967 CFDMDUXWSCVHGD-UHFFFAOYSA-N 312.329 -0.397 30 20 DBED C[C@H]1CO[C@@H](C(=O)N2CC(O)(CNC(=O)C#CC3CC3)C2)C1 1042958277 IGQWWYQHLCWCAQ-DGCLKSJQSA-N 306.362 -0.486 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)CCC2CC2)C1 1043032498 CAYYDIDEJYPJQA-UHFFFAOYSA-N 308.378 -0.094 30 20 DBED C=CC(C)(C)CC(=O)NCC1(O)CN(C(=O)c2cnnn2C)C1 1043205634 HFTSSXGLXGDHKN-UHFFFAOYSA-N 321.381 -0.280 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)C2(CN(C)C)CC2)C1 1045387707 WLHZIIOFEQZCMI-UHFFFAOYSA-N 321.421 -0.323 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)CCc2ccon2)C1 1045556205 XQWGASOSUMKLSJ-JTQLQIEISA-N 306.322 -0.544 30 20 DBED Cc1nn(C)cc1CC(=O)N1CC(O)(CNC(=O)[C@@H](C)C#N)C1 1045565046 QILGHKNLPIZORU-JTQLQIEISA-N 319.365 -0.880 30 20 DBED N#CCN1CC[C@@H](N2CCN(C(=O)[C@]3(F)CCOC3)CC2)C1 1046055814 HWCDBXHJNMBZJL-HIFRSBDPSA-N 310.373 -0.143 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CCCCC(=O)N2)C1 1047607840 CMJUKCLGTCJTRP-RDBSUJKOSA-N 307.394 -0.428 30 20 DBED CN(C(=O)c1cccc(NC(N)=O)c1)[C@H]1CN(CC#N)C[C@@H]1O 1047624028 CVCRUWSJXZENIW-STQMWFEESA-N 317.349 -0.182 30 20 DBED C=CCCC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CCCNC2=O)C[C@@H]1O 1048530325 CKUYTLKCKBWWAJ-AGIUHOORSA-N 323.393 -0.491 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)[C@H]1CN(C(=O)[C@@H]2C[C@H]2C)C[C@@H]1O 1048844275 GLROPCLWDOBVFW-BJJPWKGXSA-N 308.378 -0.289 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H]2[C@H]1CCN2Cc1nc(=O)n(C)[nH]1 1049381715 LMLFMEIGGRAVMQ-IJLUTSLNSA-N 318.381 -0.167 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)c2ncccc2O)C[C@@H]1O 1049395352 UHALDYZPNXFHNV-SCVCMEIPSA-N 318.333 -0.409 30 20 DBED Cc1cc(C#N)nc(N2CC[C@@H]3CN(C(=O)C(N)=O)C[C@@H]3C2)n1 1049623752 QHOYHJKXLDVDRA-MNOVXSKESA-N 314.349 -0.573 30 20 DBED N#CCN1CCOC[C@@H]1CNC(=O)c1cn2c(n1)COCC2 1050981699 KJIGPEKXSGEKAY-NSHDSACASA-N 305.338 -0.633 30 20 DBED N#CCN1CCOC[C@H]1CNC(=O)c1cnc2cccnn12 1051155884 LSNGDPMQPZRSHL-LLVKDONJSA-N 300.322 -0.317 30 20 DBED C#CCN1CCN([C@@H]2CCN(C(=O)CO[C@@H]3CCOC3)C2)CC1 1052025552 GWFAHBDNFAPNFF-HZPDHXFCSA-N 321.421 -0.356 30 20 DBED CCn1cc(C(=O)N2CC[C@H](N3CCN(CC#N)CC3)C2)nn1 1052101924 AFOWHUCLSTYEJD-ZDUSSCGKSA-N 317.397 -0.346 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1CNC(=O)Cn1nccn1 1052553532 JGHOTHAYMBSXBB-TZMCWYRMSA-N 315.377 -0.098 30 20 DBED C=CCCN1CCC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)CC1 1052959431 VFJBZNQEBOHUNB-GFCCVEGCSA-N 320.397 -0.076 30 20 DBED N#CCN1CC2(C1)CN(C(=O)c1ccc(C(N)=O)[nH]1)CCO2 1053431114 HDOZPCAZJIKIIC-UHFFFAOYSA-N 303.322 -0.836 30 20 DBED COc1ccc(C(=O)N[C@@H]2COC3(C2)CN(CC#N)C3)nn1 1053974359 MESHBYXZLTZORR-JTQLQIEISA-N 303.322 -0.418 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)[C@@H]3CCN(C(C)=O)C3)CO2)C1 1053995033 SOYRFZWGZRAZTK-CABCVRRESA-N 319.405 -0.162 30 20 DBED C=CCN[C@@H]1CN(C(=O)Cn2ccc(=O)n(C)c2=O)C[C@@H]1C 1054710381 NKYNXJGKJBTBEH-NWDGAFQWSA-N 306.366 -0.831 30 20 DBED NC(=O)CCCC(=O)N1C[C@H]2CN(C(=O)C#CC3CC3)C[C@H]2C1 1055332538 ZOFQZFQPNMJZTG-OKILXGFUSA-N 317.389 -0.028 30 20 DBED CNC(=O)CC(=O)N1CCC[C@](CO)(NC(=O)C#CC2CC2)C1 1055938309 BYMPHIKSBMAPGC-INIZCTEOSA-N 321.377 -0.994 30 20 DBED C[C@@H](C#N)C(=O)N[C@@]1(CO)CCCN(C(=O)CN2CCCC2)C1 1056096604 JKYULNCNZMNLAG-BBRMVZONSA-N 322.409 -0.288 30 20 DBED Cn1cnc(C(=O)NC2[C@@H]3CN(c4ccncc4C#N)C[C@@H]23)n1 1056201471 KFKAHLVIEOOLAQ-GHMZBOCLSA-N 309.333 -0.054 30 20 DBED C#CCN1CCC(C(=O)NCCN(CCO)C(=O)CC)CC1 1056734486 HUVLRVNEAZIKLZ-UHFFFAOYSA-N 309.410 -0.321 30 20 DBED C[C@]1(C(=O)N2CC[C@@H](Nc3cnc(C#N)cn3)C2)CNC(=O)C1 1056738576 JGEOKLMZQLCOOU-MEBBXXQBSA-N 314.349 -0.113 30 20 DBED C=CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)c1cnn(C)c1 1056935285 BHAFWQYGJMSGMM-LBPRGKRZSA-N 324.381 -0.438 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)[C@H]1OCCO[C@H]1C 1057963127 HIPMEIOMMRHYFP-JSGCOSHPSA-N 314.382 -0.306 30 20 DBED CN1CCO[C@H](C(=O)N[C@H]2CCN(c3ccc(C#N)nc3)C2)C1 1058316639 DDGXTAYXHWYBBS-ZFWWWQNUSA-N 315.377 -0.021 30 20 DBED N#Cc1nccc(N2CC[C@H](NC(=O)[C@H]3CCCC(=O)N3)C2)n1 1058472840 IYPKNKSIWKHUCV-WDEREUQCSA-N 314.349 -0.288 30 20 DBED COc1cncc(C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N)n1 1058659080 SIQVIRMOGJIQML-JTQLQIEISA-N 321.337 -0.804 30 20 DBED Cc1cc(=O)c(C(=O)N(CCO)CCNC(=O)[C@H](C)C#N)c[nH]1 1058700513 HHRDHKJUVXKZNQ-SNVBAGLBSA-N 320.349 -0.606 30 20 DBED Cc1nc(N[C@H]2CCN(C(=O)[C@H]3CNC(=O)N3)C2)ccc1C#N 1059049597 WZSKQAJWYLTGQU-NWDGAFQWSA-N 314.349 -0.044 30 20 DBED N#Cc1cnc(N[C@H]2C[C@H](NC(=O)[C@H]3CCCNC3=O)C2)cn1 1059325495 LNTRZRRNDXXTRP-NHCYSSNCSA-N 314.349 -0.066 30 20 DBED C=CCOCC(=O)N1CCOC[C@@H]1CNC(=O)COCC 1061237950 VVPGLUMJNRLNOV-LBPRGKRZSA-N 300.355 -0.431 30 20 DBED C=CCCC(=O)N1CCOC[C@H]1CNC(=O)[C@H]1CCC(=O)N1 1061416377 IWPSZDTZMOOHML-VXGBXAGGSA-N 309.366 -0.425 30 20 DBED N#Cc1cncc(N2CC[C@H](CNC(=O)[C@H]3COCCO3)C2)n1 1061524471 FBPPFXDTNHFASJ-DGCLKSJQSA-N 317.349 -0.294 30 20 DBED Cc1nn[nH]c1C(=O)N1CCOC[C@@H]1CNC(=O)[C@@H](C)C#N 1061851737 PIPZGQBHRAFZSJ-WPRPVWTQSA-N 306.326 -0.770 30 20 DBED Cc1c(C(=O)N2C[C@@H]3C[C@H]2CN3c2cnc(C#N)cn2)nnn1C 1062460947 DKUJBOSFDSNRRM-RYUDHWBXSA-N 324.348 -0.112 30 20 DBED C=CCCC(=O)NCC1(NC(=O)CS(=O)(=O)NC)CCC1 1062686496 OUMRVDSCTXSYSX-UHFFFAOYSA-N 317.411 -0.343 30 20 DBED C#CCCCC(=O)NCC1(NC(=O)CNC(=O)NC)CCC1 1062863395 LGZQROFUBBUCAQ-UHFFFAOYSA-N 308.382 -0.126 30 20 DBED C#CCOCCC(=O)NCC1(NC(=O)CNC(=O)NC)CCC1 1063042155 OBSRHGLMHRWSKW-UHFFFAOYSA-N 324.381 -0.890 30 20 DBED C#CCO[C@H](C)C(=O)NC1(CNC(=O)CC(=O)N(C)C)CCC1 1063089707 PEHNXKQTTHLFJY-GFCCVEGCSA-N 323.393 -0.342 30 20 DBED N#Cc1cnc(N2CCO[C@@H](CNC(=O)[C@H]3CCCO3)C2)cn1 1063605260 GDXMTMVNMFKEQB-QWHCGFSZSA-N 317.349 -0.151 30 20 DBED N#Cc1nc(=NC[C@@H]2CCC[C@H]2NC(=O)c2cnn[nH]2)cc[nH]1 1064150583 VTWNDLYWXDCGEO-VHSXEESVSA-N 312.337 -0.101 30 20 DBED C[C@H](CC(=O)NC1(CNC(=O)[C@H](C)C#N)CCC1)NC(N)=O 1064306257 FQICTMJFLVVGCU-NXEZZACHSA-N 309.370 -0.252 30 20 DBED N#Cc1nccnc1N1CC[C@]2(CCN(C(=O)C(N)=O)C2)C1 1064641022 ZWFOJOGCFAGYIK-AWEZNQCLSA-N 300.322 -0.738 30 20 DBED Cn1nnc(C(=O)N2CCC[C@H]2CNc2cnc(C#N)cn2)n1 1064989473 DKGZMLDFRSNJHQ-JTQLQIEISA-N 313.325 -0.412 30 20 DBED C=CCCCC(=O)NC[C@H]1CN(C(=O)CC(=O)NC)CCO1 1065082121 OQHDHFYLMNHNAW-LBPRGKRZSA-N 311.382 -0.178 30 20 DBED COC[C@@H](OC)C(=O)NC[C@H]1CN(C(=O)C#CC2CC2)CCO1 1065137201 OCMHBIPWJLFLLY-UONOGXRCSA-N 324.377 -0.595 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)[C@H]2CCCC(=O)N2)CCO1 1065267282 ORWYYZCWSUKZRR-QWHCGFSZSA-N 323.393 -0.035 30 20 DBED C[C@@]1(NC(=O)[C@@H]2CCC(=O)N2)CCN(c2nccnc2C#N)C1 1065268854 IHCGAUZIQNSPNE-ZUZCIYMTSA-N 314.349 -0.288 30 20 DBED N#CCSCC(=O)NC[C@@H]1CN(C(=O)c2nc[nH]n2)CCO1 1065447537 PNOLDAPFBAGQFV-SECBINFHSA-N 324.366 -0.981 30 20 DBED N#Cc1ccc(NCC2CC(NC(=O)Cn3cnnn3)C2)cn1 1067829171 JWEKAGXICLOOLA-UHFFFAOYSA-N 312.337 -0.053 30 20 DBED N#Cc1nc(=NCC2CC(NC(=O)Cn3nccn3)C2)cc[nH]1 1067868788 ZTADHMXZGYPSPF-UHFFFAOYSA-N 312.337 -0.631 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H]1CCC2(CN(C(C)=O)C2)O1 1068559755 FGUKEWCKDNZBGT-GFCCVEGCSA-N 307.350 -0.978 30 20 DBED C=C[C@@H](CC)CC(=O)N[C@@H]1COC2(C1)CN(C(=O)C(N)=O)C2 1068976305 UVQVZFKTEBBUDI-QWRGUYRKSA-N 309.366 -0.440 30 20 DBED CCn1ncc(C(=O)NCc2cnn3c2CN(CC#N)CC3)n1 1069859954 VUUDMYNPVWXQFT-UHFFFAOYSA-N 314.353 -0.236 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)[C@@H]2CCN(C)C2)CCOCC1 1070122324 SMYGTXJERLQKNO-CHWSQXEVSA-N 322.409 -0.121 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@@H](NC(=O)[C@@H](C)OC)C1 1070635953 CESIFDGURNOMTF-VXGBXAGGSA-N 309.366 -0.732 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@@H](NC(=O)c2ncc[nH]2)C1 1070636031 GIJQGYGUQOPSGS-LLVKDONJSA-N 317.349 -0.730 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H](C)[C@@H](NC(=O)COCCC)C1 1071936470 PVSZAHOWMLNOJU-STQMWFEESA-N 323.393 -0.484 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](NC(=O)COC)C(C)(C)C1 1073284445 KVVTVRCEGRRLMS-GFCCVEGCSA-N 323.393 -0.484 30 20 DBED CC#CCN1CCCO[C@H](CNC(=O)c2cnc(O)n2C)C1 1073729646 SEHHVMOVBUOYAH-GFCCVEGCSA-N 306.366 -0.030 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)[C@@H]2CCc3nncn3C2)C1 1073901653 AHUOZRDWJDOZFC-KGLIPLIRSA-N 317.393 -0.319 30 20 DBED C=CCN1CCO[C@H]2CCN(C(=O)Cn3ncn(C)c3=O)C[C@H]21 1074279526 NJXFLKVIYIELNZ-OLZOCXBDSA-N 321.381 -0.931 30 20 DBED CCn1cc(CC(=O)N2CC[C@@H]3OCCN(CC#N)[C@H]3C2)nn1 1074302018 KGACXUQLOOVWTA-KBPBESRZSA-N 318.381 -0.334 30 20 DBED C#CCCCCC(=O)NCC1(O)CCN(C(=O)CC(N)=O)CC1 1074524894 AKNJUESQYFCMGI-UHFFFAOYSA-N 323.393 -0.475 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](NC(=O)c2cnn[nH]2)C[C@@H]1C 1075055181 FQMBTZYBVAFDGC-NWDGAFQWSA-N 319.365 -0.046 30 20 DBED C[C@@H](CCNC(=O)C#CC1CC1)NC(=O)[C@@H]1CCNC(=O)C1 1076423509 MKKFZNORIKSXFJ-WCQYABFASA-N 305.378 -0.063 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)c2nccn3cc(C)nc23)C1 1077961609 VPNXNGPXFKRDEK-CHWSQXEVSA-N 313.361 -0.164 30 20 DBED C#CCN[C@@H]1C[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)C12CCC2 1078797187 HLEYPTKJPVCBIQ-CHWSQXEVSA-N 317.393 -0.460 30 20 DBED C#CCN[C@@H]1C[C@H](NC(=O)CN2C(=O)CCC2=O)C12CCC2 1078804309 UFUSDZKFUFZZRV-NEPJUHHUSA-N 303.362 -0.214 30 20 DBED C[C@@H]1CN([C@@H]2CCNC2=O)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 1079588247 CSKOFPYMXIWMRD-OASPWFOLSA-N 301.350 -0.175 30 20 DBED C#CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)CC(=O)NC)C1 1079774531 FPAICOAKFFKQLA-LLVKDONJSA-N 309.366 -0.780 30 20 DBED C#CCC1(C(=O)N(CC)C2CN(C(=O)C(N)=O)C2)CCOCC1 1079889319 SARGAJXTJDZEDM-UHFFFAOYSA-N 321.377 -0.649 30 20 DBED CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)[C@]2(C)CCC(=O)N2)C1 1080416492 OHVNHSADPFKMDV-BONVTDFDSA-N 306.366 -0.126 30 20 DBED CCN1CCO[C@H](C(=O)N2CC(N(CC)C(=O)[C@@H](C)C#N)C2)C1 1080418722 YAZLIZRLVPHAFC-JSGCOSHPSA-N 322.409 -0.074 30 20 DBED CCNC(=O)CC(=O)N1CCC(CO)(NC(=O)[C@H](C)C#N)CC1 1080980057 IOKLFSPFSPZFMW-LLVKDONJSA-N 324.381 -0.858 30 20 DBED C#CCN1CCC(C(=O)N[C@@H]2CN(CC(=O)NC)C[C@H]2C)CC1 1080997830 LKJHNTGLCIWRBS-UKRRQHHQSA-N 320.437 -0.486 30 20 DBED CCN(CC)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C#CC(C)C)C1 1081463674 QKJYNPKNFKVIKH-LSDHHAIUSA-N 323.437 -0.077 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(C(=O)CC2(O)CCC2)C[C@@H]1O 1081470667 DJZCUPSDHBQUIU-KBPBESRZSA-N 320.389 -0.360 30 20 DBED Cc1nn[nH]c1C(=O)NC[C@H]1CN(C(=O)C#CC(C)C)C[C@H]1O 1081637630 OOYPXAWBSMKURT-NWDGAFQWSA-N 319.365 -0.678 30 20 DBED C=CCN1CC[C@@H](N[C@@H]2CN(C(=O)c3nc[nH]n3)C[C@H]2C)C1=O 1082815100 OPKLRULVFGESHC-IJLUTSLNSA-N 318.381 -0.358 30 20 DBED C[C@@H]1CCn2cc(C(=O)N[C@@H]3CN(CC#N)C[C@@H]3O)nc2C1 1083568604 GXXFVAPGSLISFA-WZRBSPASSA-N 303.366 -0.236 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCc3cnc(C)n3C2)C1 1083731663 IXQHTUYJBFTCBG-BMFZPTHFSA-N 316.405 -0.061 30 20 DBED C#CCCN1CC[C@H](NC(=O)[C@@H]2CN(C(C)=O)CCO2)[C@H]1C 1089014985 WZQNTIDVQKLIAY-SNPRPXQTSA-N 307.394 -0.164 30 20 DBED C[C@H](C[C@@H](C)Nc1nccnc1C#N)NC(=O)Cn1cnnn1 1089213722 CBEVUULOKHASMR-NXEZZACHSA-N 315.341 -0.270 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2ccnc3[nH]cnc23)[C@@H](O)C1 1090300387 KSFKKWXYEMRYBB-MNOVXSKESA-N 300.322 -0.354 30 20 DBED N#CCN1CC[C@H](NC(=O)c2cccc3nc(O)[nH]c23)[C@@H](O)C1 1090334023 OCTZEKYRXRTNJS-JQWIXIFHSA-N 315.333 -0.043 30 20 DBED CCO[C@@H](CC)C(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1O 1090378096 SAJQUNWMBPLVSL-UPJWGTAASA-N 319.365 -0.171 30 20 DBED C=CCCN1CC[C@@H](NC(=O)c2cccnc2C(N)=O)[C@@H](O)C1 1090824343 MGEKCIAURHPJMK-OLZOCXBDSA-N 318.377 -0.078 30 20 DBED Cc1sc(=O)n(CC(=O)N[C@@H]2CCN(CC#N)C[C@@H]2O)c1C 1090829694 DTPXUVQXMQWJKR-NEPJUHHUSA-N 324.406 -0.398 30 20 DBED CN(C)c1ccc(C(=O)N[C@@H]2CCN(CC#N)C[C@@H]2O)nc1 1090840047 VTOHPUWWQUEOQI-OCCSQVGLSA-N 303.366 -0.164 30 20 DBED C#CCN1CC[C@H](NC(=O)Cc2ccc(C(N)=O)cc2)[C@@H](O)C1 1090840860 GVERUGWQPDRPSZ-GJZGRUSLSA-N 315.373 -0.487 30 20 DBED CO[C@@H](C)C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1OC 1090864110 GERDOVKUCDEYSA-MVWJERBFSA-N 305.338 -0.297 30 20 DBED CC(=O)N[C@@H](C)C(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@@H]1O 1091064873 SJETZMSQGYZBCW-BIMULSAOSA-N 317.349 -0.856 30 20 DBED Cc1cc(N2C[C@H](O)[C@H](NC(=O)[C@@H](C)C#N)C2)n2ncnc2n1 1091083535 WEBQXJDLDANGMI-GDPRMGEGSA-N 315.337 -0.742 30 20 DBED CC[C@@H]1[C@@H](NC(=O)CC(=O)NC)CCN1c1cncc(C#N)n1 1091771644 SOFJNXFZZNITPW-NWDGAFQWSA-N 316.365 -0.042 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)c3c[nH]c(=O)cn3)c3nccn32)C1 1092390800 GGLFENLLRZUOEK-NSHDSACASA-N 324.344 -0.515 30 20 DBED CCS(=O)(=O)CC(=O)N1CCN(c2nccnc2C#N)CC1 1093158970 ZQSWDRQIHCFPOI-UHFFFAOYSA-N 323.378 -0.568 30 20 DBED C[C@H](CC(=O)NCCN=c1cc[nH]c(C#N)n1)N1CCCC1=O 1093743595 UBOSRFAKOLNHRI-LLVKDONJSA-N 316.365 -0.301 30 20 DBED CN1CC[C@@H](CC(=O)NCCN=c2cc[nH]cc2C#N)C1=O 1093961259 WDLPAGXGJSAVQA-NSHDSACASA-N 301.350 -0.228 30 20 DBED N#Cc1cncc(NCCNC(=O)CNC(=O)c2ccoc2)n1 1094183121 ZJOUQTZFIQDWCR-UHFFFAOYSA-N 314.305 -0.101 30 20 DBED C#CCN1CC(n2cc(CNC(=O)[C@H]3CN(C)C[C@@H]3C)nn2)C1 1094316562 KTGNJGXBJPDJGD-WFASDCNBSA-N 316.409 -0.418 30 20 DBED Cc1cnoc1C(=O)N1CCN(CC#N)[C@H]2CS(=O)(=O)C[C@H]21 1094671990 WHTZCSBHMROBGC-WDEREUQCSA-N 324.362 -0.570 30 20 DBED N#CCN1CC(N2C[C@@H](NC(=O)C3=COCCC3)CC2=O)C1 1094711550 IGUCBYQAZCBBRD-LBPRGKRZSA-N 304.350 -0.394 30 20 DBED CN1CCC[C@H]1C(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1 1094713686 FICNIRUURYOOOV-YPMHNXCESA-N 305.382 -0.995 30 20 DBED N#CCN1CC(N2C[C@H](NC(=O)[C@@H]3C[C@@H]4C[C@@H]4C3)CC2=O)C1 1094778339 LRUZAHSAGYBXAQ-MROQNXINSA-N 302.378 -0.043 30 20 DBED CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NCCCNc1nccnc1C#N 1094784827 BWZNCFNWJOBRAD-WDEREUQCSA-N 316.365 -0.009 30 20 DBED CC#CCN1CC(N2C[C@@H](NC(=O)Cc3ccc[nH]3)CC2=O)C1 1094817184 KNNUWVRTPNBWGW-AWEZNQCLSA-N 314.389 -0.018 30 20 DBED CNC(=O)C1(C(=O)N2CC[C@@H](Nc3cnc(C#N)cn3)C2)CC1 1095048437 ZXSHGSLGWXKRSZ-SNVBAGLBSA-N 314.349 -0.113 30 20 DBED CCN(CCCNC(=O)c1nnn(C)n1)c1nccnc1C#N 1095945073 HNSUEQIKUYJOKB-UHFFFAOYSA-N 315.341 -0.482 30 20 DBED N#Cc1nccnc1N[C@@H](CNC(=O)Cn1cnnn1)C1CC1 1096568533 ZNTCECWLNCJERA-NSHDSACASA-N 313.325 -0.658 30 20 DBED CC(=O)NCC(=O)N1[C@H]2CC[C@H]1CN(c1ccnc(C#N)n1)C2 1096878990 CJECMJYQFSTZAY-RYUDHWBXSA-N 314.349 -0.336 30 20 DBED N#Cc1nc(=N[C@H]2C[C@H](NC(=O)C(=O)NCC3CC3)C2)cc[nH]1 1097056076 CIYMMWTXEIYNBM-XYPYZODXSA-N 314.349 -0.645 30 20 DBED CCN1CCO[C@@H](C(=O)NC[C@@H](C)Nc2cnc(C#N)cn2)C1 1097874400 GZCJRWNMIJEYRX-DGCLKSJQSA-N 318.381 -0.014 30 20 DBED C[C@H](CNC(=O)[C@]1(C)CCNC1=O)Nc1ccc(C#N)nn1 1098261920 VHPSMAQUWCTKNH-YMTOWFKASA-N 302.338 -0.209 30 20 DBED C#CCCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1nccnc1C(N)=O 1098349243 ONFHEXDWZQXSLF-UTUOFQBUSA-N 313.361 -0.066 30 20 DBED C=CCNCc1cn([C@H]2CCN(C(=O)[C@H](C)NC(N)=O)C2)nn1 1098661286 IPLIDKNIENYTAG-JQWIXIFHSA-N 321.385 -0.616 30 20 DBED N#CCNCc1cn([C@H]2CCN(C(=O)c3ccnnc3)C2)nn1 1098740439 QPLAIVMQXLYKLD-ZDUSSCGKSA-N 312.337 -0.232 30 20 DBED C[C@@H](CCNC(=O)[C@H]1CCNC1=O)Nc1cnc(C#N)cn1 1099617407 UUBJEFIIMOZXNU-GXSJLCMTSA-N 302.338 -0.209 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(Cc2nncn2C)C[C@H]1O 1099740729 IRJLAHWJTMLQMM-VXGBXAGGSA-N 309.370 -0.931 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)C2CC=CC2)[C@@H](O)C1 1099743351 IDEZMVPOJBXUIQ-KGLIPLIRSA-N 305.378 -0.747 30 20 DBED CCN(C)C(=O)CN1CC[C@@H](NC(=O)C#CC2CC2)[C@H](O)C1 1099813253 MPWZLWJKRDOMIO-ZIAGYGMSSA-N 307.394 -0.571 30 20 DBED CC(C)(C)C#CC(=O)N[C@H]1CCN(CC(=O)N2CCC2)C[C@H]1O 1099826890 RQNYLFVIBNJCML-UONOGXRCSA-N 321.421 -0.180 30 20 DBED C#CCN1CC[C@@H](NC(=O)CCn2ccccc2=O)[C@@H](O)C1 1099858871 SLFXETACCRONPO-KGLIPLIRSA-N 303.362 -0.577 30 20 DBED C#CCN1CC[C@H](NC(=O)CS(=O)(=O)CCCC)[C@@H](O)C1 1100129875 UJDYDSFWJGJYSR-STQMWFEESA-N 316.423 -0.614 30 20 DBED C=CCCOCC(=O)N[C@H]1CCN(CC(=O)NCC)C[C@@H]1O 1100138807 LBNFWIIRKSYLCK-STQMWFEESA-N 313.398 -0.733 30 20 DBED C[C@@](O)(CC(=O)NCC1CC(NCC(=O)NCC#N)C1)C1CC1 1100254706 INHPJBKWOYNEFS-IJGSQOGDSA-N 322.409 -0.338 30 20 DBED CC(C)NC(=O)CN(C)CC(=O)NCC1CC(NCC#N)C1 1100480543 YGDSNASKSSTRNM-UHFFFAOYSA-N 309.414 -0.549 30 20 DBED N#Cc1cnc(N(CCNC(=O)[C@H]2CCNC2=O)C2CC2)cn1 1101419148 WALAKHKWPVMWSA-LBPRGKRZSA-N 314.349 -0.431 30 20 DBED CN(CCN=c1cc[nH]cc1C#N)C(=O)[C@@H]1CCCS1(=O)=O 1101641900 FZZDVRYBNIJNPQ-ZDUSSCGKSA-N 322.390 -0.177 30 20 DBED CN(C)C(=O)CCCC(=O)N(C)CCN=c1cc[nH]c(C#N)n1 1101697784 BZAQUEXXEJZLDW-UHFFFAOYSA-N 318.381 -0.101 30 20 DBED CCOCCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)[C@@H](C)C#N)C1 1101822359 MYDNBVXNHUVXAC-BFHYXJOUSA-N 324.425 -0.017 30 20 DBED CO[C@@H](C)C(=O)NCC[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1102730397 QSPZMBBAQFDSGJ-FRRDWIJNSA-N 310.398 -0.265 30 20 DBED CCN(C(=O)CNC(N)=O)[C@@H]1CCN(c2nccnc2C#N)C1 1102779738 KIALSWPXVMEZJT-SNVBAGLBSA-N 317.353 -0.556 30 20 DBED C[C@H](CNc1cncc(C#N)n1)N(C)C(=O)CN1CCOCC1 1104527772 PADAEYSLUULNLZ-GFCCVEGCSA-N 318.381 -0.061 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)C[C@@H]1CCNC1=O 1104712301 KZHXJMWNJBOQKP-MNOVXSKESA-N 316.365 -0.445 30 20 DBED N#CCNCc1cn(C2CN(C(=O)c3cc(C#N)c[nH]3)C2)nn1 1105204693 FVVGZUJIWMWAOE-UHFFFAOYSA-N 310.321 -0.212 30 20 DBED CN(CCN(C)c1cncc(C#N)n1)C(=O)Cc1nc[nH]n1 1105471460 LVGSGVCGPCJGKS-UHFFFAOYSA-N 300.326 -0.396 30 20 DBED Cc1cc(C(=O)NC[C@@H](O)CN=c2cc[nH]cc2C#N)no1 1105710007 TYSJDZVQVGHNOD-NSHDSACASA-N 301.306 -0.126 30 20 DBED C[C@@H]1CCCN1CC(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1 1106109163 VHAZHUNNJJWMPT-VXGBXAGGSA-N 318.381 -0.857 30 20 DBED Cc1ccc(C#N)c(NC[C@H](O)CNC(=O)CC(=O)N(C)C)n1 1106134461 WJVHFYIKXIMSGP-GFCCVEGCSA-N 319.365 -0.371 30 20 DBED CN1CCCC[C@@H]1C(=O)NC[C@@H](O)CNc1cnc(C#N)cn1 1106165221 HGHIQLXFMHPNIN-QWHCGFSZSA-N 318.381 -0.278 30 20 DBED C[C@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)[C@@]1(C)CCNC1=O 1106565933 NDIKDYBIDARGML-BMIGLBTASA-N 316.365 -0.397 30 20 DBED N#Cc1cncc(NC/C=C\CNC(=O)[C@H]2COC(=O)N2)n1 1107176380 XLGXCSGFQCKTSD-JWXWKVPASA-N 302.294 -0.459 30 20 DBED CC(=O)N1CC(C(=O)N[C@H](C)CNc2ccc(C#N)nn2)C1 1107695346 DZMAGHWWFQXQNG-SECBINFHSA-N 302.338 -0.257 30 20 DBED C[C@H](CNc1cncc(C#N)n1)NC(=O)C(=O)NCC1CC1 1107905670 CWQAAQJVIVRWSN-SECBINFHSA-N 302.338 -0.209 30 20 DBED CN1C(=O)CC[C@H]1CC(=O)NC[C@]1(C)CN(CC#N)CCO1 1108113926 YHIUDIUZDOEONK-SWLSCSKDSA-N 308.382 -0.272 30 20 DBED CC#CCN1CCO[C@@](C)(CNC(=O)C[C@@H]2CC(=O)NC2=O)C1 1108446876 MGQDJAOUKFBVLS-WBMJQRKESA-N 321.377 -0.730 30 20 DBED C[C@@H](CN=c1cc[nH]cc1C#N)NC(=O)[C@H]1CCS(=O)(=O)C1 1108604899 TVRXCAKOIWYREI-QWRGUYRKSA-N 322.390 -0.274 30 20 DBED CN1CCOC[C@H]1C(=O)NCC1(Nc2ccc(C#N)nn2)CC1 1110110631 XTMPYYDZJNLGJT-LBPRGKRZSA-N 316.365 -0.260 30 20 DBED N#Cc1cnc(NC2(CNC(=O)CCNC(N)=O)CC2)cn1 1110142997 GWCSQWPMCAZITL-UHFFFAOYSA-N 303.326 -0.533 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cnc(C)[nH]1 1110385275 SZXIKBJTXRGBHP-BZPMIXESSA-N 315.377 -0.197 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C[C@@](C)(O)C=C 1110495722 GNMPLQRJELMAEJ-WVZRYYJFSA-N 319.405 -0.216 30 20 DBED CC[C@H](OC)C(=O)NC[C@@]1(O)CCN(c2cncc(C#N)n2)C1 1111043935 PIRBEWJBKAOIJQ-WFASDCNBSA-N 319.365 -0.169 30 20 DBED N#Cc1cncc(NCCN(CCO)C(=O)c2cnco2)n1 1111533959 PUMIYFVSMDDLPQ-UHFFFAOYSA-N 302.294 -0.117 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)Cn2cccn2)CC1 1112611400 VUJRNWIMPHHBIX-ZDUSSCGKSA-N 303.366 -0.835 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)c2ccnn2C)CC1 1112670324 VLWARCCNAWWRJC-GFCCVEGCSA-N 303.366 -0.684 30 20 DBED COCCC(=O)NC[C@H]1CN(c2cnc(C#N)cn2)C[C@H]1O 1112689732 RBLFIIOUDCUGEZ-CMPLNLGQSA-N 305.338 -0.702 30 20 DBED C#CCC1(C(=O)N2CCN(CC(=O)NC(N)=O)CC2)CCC1 1112950424 ZNBHSXJQTXKAMW-UHFFFAOYSA-N 306.366 -0.481 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)c2c(C)ncn2C)CC1 1112987262 AWYIMLBQWOFDQT-UHFFFAOYSA-N 305.382 -0.211 30 20 DBED Cc1c(C(=O)N2CCN(CC(=O)NCC#N)CC2)ccn1C 1113314039 DLOYHTYRDLQXQV-UHFFFAOYSA-N 303.366 -0.269 30 20 DBED C[C@@H](CNC(=O)COCCN(C)C)N(C)c1cncc(C#N)n1 1113659350 SWTNQRLGHRHKHL-LBPRGKRZSA-N 320.397 -0.133 30 20 DBED C[C@H](CNC(=O)[C@@H]1CCCNC1=O)N(C)c1cnc(C#N)cn1 1113744923 RWYOTGNGKRVQNO-ZYHUDNBSSA-N 316.365 -0.185 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1C[C@H]2C(NC(=O)C3CC3)[C@@H]2C1 1113765900 YUBVOODUEVEUBI-MVWJERBFSA-N 320.393 -0.157 30 20 DBED C[C@@H](CNC(=O)[C@]1(C)CCC(=O)N1)N(C)c1ccc(C#N)nn1 1113866681 HEYJCHUHUHQSSV-BONVTDFDSA-N 316.365 -0.042 30 20 DBED COCC#CCN1C[C@@H]2C(NC(=O)Cc3nnc(C)o3)[C@H]2C1 1114217657 UDLLUHOWNPFSHN-RYUDHWBXSA-N 304.350 -0.383 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)C[C@H]3CCCC(=O)N3)[C@@H]2C1 1114540684 VSTQFORWTFRSRZ-MGPQQGTHSA-N 319.405 -0.259 30 20 DBED C[C@H]1C[C@@H](CN=c2cc[nH]c(C#N)n2)CN1C(=O)CNC(N)=O 1114664264 PDQAVMWADHHDRT-UWVGGRQHSA-N 317.353 -0.913 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)[C@@H]3[C@H]4COC[C@H]43)[C@H]2C1 1114714501 TZZSQBYVGNTWTF-NZDOLIBDSA-N 319.405 -0.384 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@]3(F)CCOC3)[C@H]2C1 1114730484 BVXDDPKYFKBVEC-MDHDOXDCSA-N 311.357 -0.536 30 20 DBED Cc1c(C(=O)N[C@H]2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]32)ccn1C 1114796844 NHCJBAXLAXSOCD-NHAGDIPZSA-N 315.377 -0.367 30 20 DBED C[C@]1(C(=O)NC2[C@H]3CN(CC(=O)NCC#N)C[C@H]23)CCOC1 1115015640 IIXBYSRXWUFVMI-PGUXBMHVSA-N 306.366 -0.901 30 20 DBED C=CCO[C@H](C)C(=O)NC1[C@H]2CN(CCn3cncn3)C[C@H]12 1115331903 GIRJSPLTRSMALO-AGIUHOORSA-N 305.382 -0.084 30 20 DBED C[C@@H](CN(C)C(=O)[C@@H]1CN(C)CCO1)Nc1nccnc1C#N 1115664248 MCDHATAAMHOHKE-AAEUAGOBSA-N 318.381 -0.062 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N(C)C2CCC(N)CC2)nn1 1118148523 OPCSYFBRCNAZFA-UHFFFAOYSA-N 320.397 -0.191 30 20 DBED C[C@@H](OC(=O)C1(S(N)(=O)=O)CC1)C(=O)NC1(C#N)CCC1 1118236837 UKGGZAHEMIHDNW-MRVPVSSYSA-N 315.351 -0.698 30 20 DBED C=CCNC(=O)Cn1nnnc1N1CC[C@@H]([C@H]2CCOC2)C1 1120070449 RQDUFKXMLRUGHI-NEPJUHHUSA-N 306.370 -0.162 30 20 DBED C#CCNC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 1120571349 NBPWSORHIZRPTB-LLVKDONJSA-N 316.766 -0.271 30 20 DBED C=C(C)Cn1c([C@H](C)CO)nnc1N1CCO[C@H](C(=O)NC)C1 1122437166 YXMPLDQWWDDKOV-NEPJUHHUSA-N 323.397 -0.099 30 20 DBED COc1ccc(C#N)cc1CNCCNC(=O)Cn1cnnn1 1123306810 YUGYXFKDSXGOOL-UHFFFAOYSA-N 315.337 -0.541 30 20 DBED C[C@H](C#N)C(=O)NCCN[C@H]1CCN(c2ccn(C)n2)C1=O 1124902926 NTQVTZNGMJBUJJ-MNOVXSKESA-N 304.354 -0.609 30 20 DBED N#CCNCc1nnc2n1CC[C@@H](NC(=O)c1ncc[nH]1)CC2 1127983995 GXBXHMXBIGNSQO-JTQLQIEISA-N 314.353 -0.251 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)CCc1ccn(C)n1 1128475175 GAZFJDDGDOYFRO-LBPRGKRZSA-N 305.382 -0.804 30 20 DBED C#CCCN1CCn2ncc(CNC(=O)[C@@H](COC)OC)c2C1 1128475661 FGEGAWZUCVMTSO-OAHLLOKOSA-N 320.393 0.000 30 20 DBED C=CCO[C@@H](C)C(=O)N1C[C@H](n2ccnn2)[C@H](NCCO)C1 1130151234 KHBIOKVLWPEEGB-XQQFMLRXSA-N 309.370 -0.797 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cn2ccc(C)cc2n1 1130936050 DXCNXYAPUYLXEK-UHFFFAOYSA-N 313.361 -0.288 30 20 DBED C=CCOCC(=O)N1C[C@@H]2C[C@@H]3CN([C@@H](C)C(N)=O)C[C@]2(C1)O3 1131197723 QEONIKVRZFAWNU-BCUIYNNISA-N 323.393 -0.636 30 20 DBED COCC#CCN1C[C@@H](NC(=O)CCNC(N)=O)CC[C@@H]1C 1132478187 JSWHQDCLFCCOBC-STQMWFEESA-N 310.398 -0.336 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)C1CCN(C)CC1 1133285868 LZXIDUBSJBRESP-UHFFFAOYSA-N 323.441 -0.204 30 20 DBED COCC#CCN[C@H](C)C[C@@H](C)NC(=O)Cn1cnnc1O 1134134933 PLQJKXOXKPETOH-VXGBXAGGSA-N 309.370 -0.494 30 20 DBED COCC#CCNCCNC(=O)c1ccc2nnc(O)n2c1 1135241789 GNKVUHWJBNXVQH-UHFFFAOYSA-N 303.322 -0.596 30 20 DBED C[C@@H](C[C@H](C)NC(=O)Cc1cncn1C)NCC(=O)NCC#N 1135944620 NGIUKJZWMFIWIL-RYUDHWBXSA-N 320.397 -0.525 30 20 DBED CCCN(C)CC(=O)N[C@@H](C)C[C@@H](C)NCC(=O)NCC#N 1135975807 COQDAEXVUTUQLR-OLZOCXBDSA-N 311.430 -0.159 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)CCC(=O)NCCC 1148223885 ZSTNREPFGPXDLM-LBPRGKRZSA-N 312.414 -0.311 30 20 DBED CN(C)C(=O)C1(C(=O)NC[C@@H]2CN(CC#N)CCCO2)CC1 1150562010 LELNBSGLEWFXBY-GFCCVEGCSA-N 308.382 -0.415 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)c1nccc(C)n1 1157302714 NFIITTYCHJMGGL-LBPRGKRZSA-N 303.366 -0.368 30 20 DBED CCS(=O)(=O)N[C@H](C)C(=O)NCCCNCC#CCOC 1158565736 AOIIKGRTOKHWJC-GFCCVEGCSA-N 319.427 -0.940 30 20 DBED CC(C)[C@@H]1OCC[C@@H]1C(=O)NCCCNCC(=O)NCC#N 1159605889 BLDAEARGGWXEJV-JSGCOSHPSA-N 310.398 -0.217 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@@H]1CCN(CC(C)C)C1 1159839363 ZHIMPINYHNKMHI-OAHLLOKOSA-N 322.453 -0.190 30 20 DBED CCCc1c(C(=O)NCCCNCC(=O)NCC#N)cnn1C 1161750906 PYWCLYCYUULLFH-UHFFFAOYSA-N 320.397 -0.278 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1cn(CC)nc1C 1167435499 BVFIWZADTXFOBP-UHFFFAOYSA-N 305.382 -0.330 30 20 DBED C=CCNC(=O)CNCCCNC(=O)c1cc(CC)nn1C 1169119478 QVEYTODLZWQPLT-UHFFFAOYSA-N 307.398 -0.006 30 20 DBED C[C@H](CCCCNCC(=O)NCC#N)NC(=O)Cc1cc[nH]n1 1169940794 WYUYXQQUPKPWJX-GFCCVEGCSA-N 320.397 -0.143 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)CCCCC(N)=O 1170634708 QRFUHTMXTSKSMY-GFCCVEGCSA-N 312.414 -0.181 30 20 DBED C#CCNC(=O)CNCCCC[C@@H](C)NC(=O)[C@H]1C[C@H]1C(N)=O 1175286856 BEUYXZVVHPRKBH-UPJWGTAASA-N 322.409 -0.878 30 20 DBED C=CCNC(=O)CNCCCNC(=O)CCN1CCCC1=O 1176328195 PDKVWYAYXJKSJN-UHFFFAOYSA-N 310.398 -0.603 30 20 DBED C=CCNC(=O)CNCCCCCCNC(=O)Cn1ncnn1 1178487017 KKMBGNPCMGZJAP-UHFFFAOYSA-N 323.401 -0.759 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CCN(C)C2=O)[C@H]1C 1179363933 BPFODBRGOZORIZ-AVGNSLFASA-N 322.409 -0.654 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)CCC(=O)NCC)C1 1181510719 BAUAEQHNMANWEP-CHWSQXEVSA-N 324.425 -0.216 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2cnn(CC)c2)C1 1181716049 AFTXNTWDJHGWIJ-TZMCWYRMSA-N 317.393 -0.155 30 20 DBED C=CCCCN[C@@H]1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)C1 1186031407 LFQBSEWGMLNBBG-GFCCVEGCSA-N 320.393 -0.146 30 20 DBED CNC(=O)NCC(=O)N1C[C@@H](CNCC#N)C2(CCOCC2)C1 1186401901 AYDZBICUGWBBCJ-GFCCVEGCSA-N 323.397 -0.716 30 20 DBED C#CCCCCC(=O)N[C@@H]1CN(Cc2nc(O)n[nH]2)C[C@H]1O 1192321228 UDLIZRRVMKIJHZ-GHMZBOCLSA-N 307.354 -0.635 30 20 DBED Cc1nnc(CN2C[C@@H](O)[C@H](NC(=O)C#CC3CC3)C2)s1 1192770798 SNSQWBUNODSQCO-VXGBXAGGSA-N 306.391 -0.079 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)CCc2ccncn2)C1 1193385028 ZWSZOQISUMEDSX-HUUCEWRRSA-N 318.377 -0.780 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC23CCC3)C1 1196436883 AQCGGONQSBTKBR-JHJVBQTASA-N 305.378 -0.913 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(NCCN(C)S(C)(=O)=O)CC1 1199826148 HBHPIAZCMCENJJ-NSHDSACASA-N 316.427 -0.382 30 20 DBED N#CCNC[C@@H]1CN(C(=O)c2ccnc3[nH]nnc23)CCCO1 1200937170 DTMWLQUPUQLSCP-SNVBAGLBSA-N 315.337 -0.303 30 20 DBED C=C(C)CNC[C@H]1CN(C(=O)CN2CCNC(=O)C2)CCCO1 1201138044 HJVFHTVJRCIWQZ-AWEZNQCLSA-N 324.425 -0.799 30 20 DBED COCC#CCNC1CCN(C(=O)c2cn(C)c(=O)n2C)CC1 1203941186 HYQCXLPNCBXHSO-UHFFFAOYSA-N 320.393 -0.432 30 20 DBED C=CCN1CC[C@@H](N[C@@H]2CCCN(C(=O)CNC(N)=O)C2)C1=O 1207265892 DVZAJTGTFVNOFX-VXGBXAGGSA-N 323.397 -0.978 30 20 DBED C#CCOCCC(=O)N1CCC[C@@H](NCC(=O)NC2CC2)C1 1208032654 VARQCZVZNDVMPE-CQSZACIVSA-N 307.394 -0.115 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)c2c[nH]c(=O)cn2)[C@H](C)C1 1208425567 NTVACYDOUYDECM-ZYHUDNBSSA-N 319.365 -0.878 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)c2conc2C)C1 1209374523 NBYYXAKJNPPTED-GFCCVEGCSA-N 304.350 -0.073 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)c2cnn(C)n2)[C@H](C)C1 1209437541 VRVRTJSJFQWEGB-ZYHUDNBSSA-N 306.370 -0.833 30 20 DBED CC#CCN[C@H]1CCCN(C(=O)CN2CCC(=O)NC2=O)C1 1210522603 NLHQLIOBIQRWTJ-LBPRGKRZSA-N 306.366 -0.468 30 20 DBED CC#CCN[C@H]1CCCN(C(=O)CC[C@@H]2NC(=O)NC2=O)C1 1210995381 SKFFVFRPACODJP-RYUDHWBXSA-N 306.366 -0.422 30 20 DBED COCC#CCN1C[C@@H](NC(=O)[C@@H]2CCN(C)C2)[C@H](OC)C1 1213856945 AAIABTCMPAQXLW-RBSFLKMASA-N 309.410 -0.597 30 20 DBED CC#CCN1C[C@@H](NC(=O)[C@@H](CC(C)C)C(N)=O)[C@H](OC)C1 1214001958 PRSPLYIPKKMWEF-BFHYXJOUSA-N 309.410 -0.027 30 20 DBED C=C[C@](C)(O)CC(=O)N1C[C@@H](NCC(=O)NCC#N)[C@H](C)C1 1214521245 YXZHDXQQFJRXCD-JMSVASOKSA-N 308.382 -0.610 30 20 DBED CC(C)(C)C#CC(=O)N[C@@H]1CN(CCN2CCCC2=O)C[C@@H]1O 1219589722 FPFKIKYQYXSUIZ-KGLIPLIRSA-N 321.421 -0.180 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)[C@H](Cn2cccn2)N(C)C)C1 1219800154 IOEUZJOIUTXPLA-RDBSUJKOSA-N 307.398 -0.839 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(CCCOC)C[C@@H]1O 1219821732 VSHRLNNPFQCVIP-ILXRZTDVSA-N 309.410 -0.718 30 20 DBED CCN(CCC#N)C(=O)CN1C[C@H](O)[C@H](NC(=O)[C@H]2C[C@@H]2C)C1 1220143008 PXVSVDKXDNRZAR-FQUUOJAGSA-N 322.409 -0.434 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)CCCC(=O)NC(C)C)C1 1220793528 ZQDBDJYMSCGZFW-KGLIPLIRSA-N 309.410 -0.134 30 20 DBED C[C@]1(C(=O)N2C[C@H]3CCN(CC(=O)NCC#N)C[C@H]32)CCOC1 1221891994 IQPLUXPIANPPLA-IOASZLSFSA-N 320.393 -0.415 30 20 DBED N#CCNC(=O)CN1CCC(NC(=O)c2cncs2)CC1 1226284748 AVZKWGVNOOALRK-UHFFFAOYSA-N 307.379 -0.023 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)Cc2cnn(C)c2)CC1 1226472161 YNWKNIWNVPQSPF-UHFFFAOYSA-N 319.409 -0.155 30 20 DBED Cc1n[nH]c(C)c1C(=O)NC1CCN(CC(=O)NCC#N)CC1 1229625256 BYPXACHEEZUGAM-UHFFFAOYSA-N 318.381 -0.139 30 20 DBED COCCN(CCC#N)C(=O)C(=O)Nc1cnn(CCOC)c1 1255498859 VCFOPOCPBYTJAU-UHFFFAOYSA-N 323.353 -0.143 30 20 DBED CC#CCCNC(=O)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1 1261087746 VIKBROMKNVSWCF-GFCCVEGCSA-N 303.366 -0.355 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CCC[C@@H](OCCOC)C1 1323528838 ULCUPJNBPDJHFR-CHWSQXEVSA-N 314.382 -0.042 30 20 DBED O=C(Cn1ncc2ccccc2c1=O)N[C@@H]1CCCN(O)C1=O 1324617803 CXORYRKWAMHNFR-GFCCVEGCSA-N 316.317 -0.107 30 20 DBED CC(C)(CCCO)CNC(=O)C(=O)N1CC[C@](O)(CC#N)C1 1326135359 OJTSVJNRGYHTSX-OAHLLOKOSA-N 311.382 -0.222 30 20 DBED C=CCn1cc(CNC(=O)[C@@H](NC(=O)C2CC2)[C@H](C)O)nn1 1326170248 PRAKYXJUGGJOGH-CABZTGNLSA-N 307.354 -0.644 30 20 DBED C#CCNC(=O)C1CCN(C(=O)[C@@H]2CCCS2(=O)=O)CC1 1326767735 FHHWJERIKFUOGN-LBPRGKRZSA-N 312.391 -0.448 30 20 DBED CC(C)N[C@H]1CCCN(C(=O)C(=O)N2CCO[C@H](C#N)C2)C1 1327133135 DEXKREBWQIJXGU-QWHCGFSZSA-N 308.382 -0.274 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N1CC[C@H]2NC(=O)CC[C@H]2C1 1328192835 GRGIBELTFHROFV-UONOGXRCSA-N 315.373 -0.401 30 20 DBED CC[C@@H](C)NC(=O)CCNC(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1328255195 MEBWJEOWKJJGFY-ABAIWWIYSA-N 324.381 -0.716 30 20 DBED C[C@H]1CN(C(=O)C(=O)N2CCN(CCC#N)CC2)C[C@@]1(C)CO 1329507024 FRTWPEPJLYYOBU-BBRMVZONSA-N 322.409 -0.479 30 20 DBED C[C@@H]1CN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)CC[C@@H]1N 1329945541 GQPGULFBKHWAPV-BNOWGMLFSA-N 319.409 -0.619 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N[C@@H](C)c1ncn(C)n1 1331024984 ZECWOXQQLYQZLC-NSHDSACASA-N 307.354 -0.509 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)NC[C@@H]2C[C@@H]3CC[C@H](C2)N3)CCO1 1331668865 ORUUZRZKDALDFD-RNJOBUHISA-N 306.366 -0.616 30 20 DBED C=C(C)CN(CC)C(=O)C(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1C 1331855588 GSQJHWNSZARTBX-WDEREUQCSA-N 302.396 -0.040 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(C)o2)CC1 1336040960 KJIVOLVJEQEJGT-UHFFFAOYSA-N 311.363 -0.187 30 20 DBED C#CCN1CCC[C@@H](NC(=O)C(=O)Nc2cncnc2C)C1 1338317552 BIKKMCPBTCPMHJ-GFCCVEGCSA-N 301.350 -0.063 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N1CC[C@@H](C(=O)OCC)C1 1341710135 YTMVOLSYXGZYES-CHWSQXEVSA-N 324.377 -0.057 30 20 DBED CC(=O)NC1CCN(C(=O)C(=O)NCC2(CC#N)CC2)CC1 1347565263 JUWWXHNRIQEPPN-UHFFFAOYSA-N 306.366 -0.076 30 20 DBED C=CCC1(O)CCN(C(=O)C(=O)N2CCO[C@@H](C#N)C2)CC1 1352937994 MVVSMJOUPVAKJF-LBPRGKRZSA-N 307.350 -0.333 30 20 DBED Cc1nsc(N(C)C(=O)Cn2ccc(=O)n(C)c2=O)c1C#N 1361493081 UCCWNGSFYMDMLE-UHFFFAOYSA-N 319.346 -0.153 30 20 DBED N#C[C@]1(F)CCN(C(=O)c2cn(C[C@@H]3CNC(=O)O3)nn2)C1 1361794520 DBAIZAZXMKFWIB-QPUJVOFHSA-N 308.273 -0.536 30 20 DBED COC[C@H](NC(=O)Cn1cc(C#N)c(O)nc1=O)[C@H]1CCCO1 1363093969 WCBQHYKNWWGLAV-WDEREUQCSA-N 322.321 -0.869 30 20 DBED N#Cc1cn(CCNC(=O)NCCC(F)F)c(=O)nc1O 1364755766 BZTVCUQSTJVPOA-UHFFFAOYSA-N 301.253 -0.225 30 20 DBED Cn1cc(C#N)c(NC(=O)N[C@@H]2CCc3nnnn3CC2)n1 1365768608 PTFHFIRFRYWNTD-SECBINFHSA-N 301.314 -0.195 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1C[C@@H](NC[C@H](O)Cn2cccn2)C1 1365809624 NPDWPMGRUSSFPB-MQYQWHSLSA-N 305.382 -0.112 30 20 DBED COCCN(CCNC(=O)c1ccc(O)nn1)C(=O)[C@@H](C)C#N 1384385806 SHEBADCSTYBVTF-JTQLQIEISA-N 321.337 -0.453 30 20 DBED C=C(Cl)CN1CCO[C@H](CNC(=O)CNC(=O)OC)C1 1391981207 XQLXRHOSEISLOW-SNVBAGLBSA-N 305.762 -0.088 30 20 DBED CCC[C@@H](NC(N)=O)C(=O)N1CC[C@H](NC(=O)[C@H](C)C#N)C1 1397156782 LLXDFIHHBBYEMS-OUAUKWLOSA-N 309.370 -0.300 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@H](N[C@H](C)C(=O)NC(=O)NC2CC2)C1 1398543846 ORTQGAALTNPFDF-QCMRWSPLSA-N 321.381 -0.240 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCCC(=O)N1)NC(=O)c1ccc(C#N)[nH]1 1400166107 RRZFOOUGCPKUJI-GXSJLCMTSA-N 317.349 -0.210 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)c2cnccn2)C1 1401063144 WGXSZEKNTIFRMG-QMTHXVAHSA-N 303.322 -0.671 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CCN(C(=O)c2cnnc(O)c2)C1 1408391020 ZKJZMWSTWDVTQI-NXEZZACHSA-N 303.322 -0.080 30 20 DBED CCCN(CCNC(=O)CN1CCOCC1)C(=O)[C@H](C)C#N 1415793385 DYQQCFLZBSANPS-CYBMUJFWSA-N 310.398 -0.167 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@](C)(NC(=O)CN2CCCNC2=O)C1 1417337803 XRIBJFUFLVVIFQ-IAQYHMDHSA-N 321.381 -0.331 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H](C)CNC(=O)c1ccc(C(N)=O)nc1 1424181510 AMPYEDVKBCRNAG-VHSXEESVSA-N 317.349 -0.083 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H](CNC(=O)CCNC(N)=O)C1 1428342728 AXOFWYBEBVKYMQ-MNOVXSKESA-N 309.370 -0.441 30 20 DBED N#Cc1ccc(C(=O)NCCc2nnc3n2CCNC3=O)s1 1434360937 HYFXGHJKSQLNST-UHFFFAOYSA-N 316.346 -0.073 30 20 DBED CCN(CCC#N)C(=O)CN1CC(NC(=O)[C@H]2CCCOC2)C1 1438050468 OZEHMHOMIBUSQK-ZDUSSCGKSA-N 322.409 -0.024 30 20 DBED C=C(Cl)CNC[C@H](O)CNC(=O)[C@H]1CN(CC)CCO1 1439062989 UMZMPQHHKKFTHU-NWDGAFQWSA-N 305.806 -0.474 30 20 DBED CN(CCNC(=O)c1cc(C#N)c[nH]1)C(=O)c1cnnn1C 1448787823 UCFOIEBXDPXQRD-UHFFFAOYSA-N 301.310 -0.483 30 20 DBED COCCN(CCNC(=O)[C@@H]1COCCO1)C(=O)[C@H](C)C#N 1452131190 ZYCHWOYSQUJQJC-NEPJUHHUSA-N 313.354 -0.847 30 20 DBED CCN1CCO[C@H](C(=O)NC2(CNC(=O)[C@@H](C)C#N)CC2)C1 1459100222 SSRHHDJMOXSZPH-RYUDHWBXSA-N 308.382 -0.368 30 20 DBED C=CCNC(=O)[C@H](C)N1CC[C@H](NC(=O)c2nonc2C)C1 1494738181 NDMWIWRHFZISEF-QWRGUYRKSA-N 307.354 -0.127 30 20 DBED CC(=O)NCC(=O)N1CC[C@H](N(C)C(=O)c2c[nH]c(C#N)c2)C1 1523071697 YIINUJOZYQVDDX-ZDUSSCGKSA-N 317.349 -0.305 30 20 DBED C[C@H](C#N)C(=O)NCCN1CCN(C(=O)[C@@]2(C)CCOC2)CC1 1524095006 QZCLMXLKPNTIAQ-CJNGLKHVSA-N 322.409 -0.167 30 20 DBED CN(CCNC(=O)[C@@H]1CCC(=O)N1C)C(=O)c1cc(C#N)c[nH]1 1528528657 CQDPCRDNAWVSKR-LBPRGKRZSA-N 317.349 -0.305 30 20 DBED CC#CCNCCN(CCO)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 1573358626 NLTWJAJYYUAWMR-UHFFFAOYSA-N 317.353 -0.758 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNc1ccc(-c2nn[nH]n2)nc1 1573576565 HNYCXXXDEFCTHH-SCZZXKLOSA-N 316.325 -0.690 30 20 DBED C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CCO[C@H]2CN)n1 1574760423 YIYBLPOIBXUVSD-CABCVRRESA-N 320.393 -0.145 30 20 DBED C[C@H](O)CN1CCN(c2cnc(C#N)c(-c3nn[nH]n3)n2)CC1 1580441034 AJHOZJLFNSTGJI-VIFPVBQESA-N 315.341 -0.969 30 20 DBED C#CCOCCC(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2C[C@@H]2C(=O)O)C1 1588489505 BIZRUCANDWZJQR-USZNOCQGSA-N 308.334 -0.490 30 20 DBED C=CCS(=O)(=O)CCNC(=O)Nc1ccc(C(=O)O)nn1 1588879213 WFQGJNGJTQMRIB-UHFFFAOYSA-N 314.323 -0.103 30 20 DBED C#CCN(CC(=O)O)S(=O)(=O)c1cc(C(=O)O)oc1C 1602715413 GRZNMPSZJLQPPA-UHFFFAOYSA-N 301.276 -0.005 30 20 DBED C[C@@H]1CN(c2cnc(-c3nn[nH]n3)c(C#N)n2)CC[S@](=O)C1 1603940874 KKUQNMRLRWFNET-PJLCYMMNSA-N 318.366 -0.267 30 20 DBED N#C[C@]12CN(c3ncncc3C(=O)O)C[C@H]1CS(=O)(=O)C2 1608191345 KDGWPEBLYLHYCF-QPUJVOFHSA-N 308.319 -0.451 30 20 DBED C[C@H](C(=O)N(C)CCC#N)N1CC[C@H](n2cc(C(=O)O)nn2)C1 1609631825 RDSPBUIZKYFCBY-MNOVXSKESA-N 320.353 -0.016 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)CCCn2ccnc2)C1 1661050002 YRJBXYDSDQTIJR-CQSZACIVSA-N 317.393 -0.397 30 20 DBED C=CCNC(=O)CN[C@H](CNC(=O)c1[nH]c(O)nc1C)C1CC1 1752468760 NFZXLLIGZMOHTM-LLVKDONJSA-N 321.381 -0.176 30 20 DBED C=CCNC(=O)CN1CCC[C@H](CNC(=O)c2[nH]nnc2C)C1 1752785201 RCHVSQBIJZEFBD-GFCCVEGCSA-N 320.397 -0.143 30 20 DBED C#CCNC(=O)CNC1CCC(NC(=O)Cc2cnoc2)CC1 1752851850 GOEMMHFPBIHUPU-UHFFFAOYSA-N 318.377 -0.017 30 20 DBED C=CCN1CC[C@@H](N[C@@H](C)CNC(=O)c2nnn(C)c2C)C1=O 1752866834 UDIDNDRBZKXWLN-CMPLNLGQSA-N 320.397 -0.382 30 20 DBED C[C@H](CNC(=O)c1cnn2c1CCCC2)NCC(=O)NCC#N 1752910305 CXLDGUNDXYFTJT-LLVKDONJSA-N 318.381 -0.433 30 20 DBED C#CCNC(=O)CNC[C@H]1CCN(C(=O)C2CC(OC)C2)C1 1752939984 DTTCRCXAECBUOM-IYXRBSQSSA-N 307.394 -0.401 30 20 DBED C#CCN1CCC[C@@H]1CCCNC(=O)CN1CCOCC1=O 1753027763 QUNROSPZHILBPY-AWEZNQCLSA-N 307.394 -0.161 30 20 DBED CN(CCNC(=O)[C@H]1CCC[C@@H](N(C)C)C1)CC(=O)NCC#N 1753070579 GESREEPMXMGBGK-UONOGXRCSA-N 323.441 -0.205 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC(NC(=O)Cn2cc(C)cn2)C1 1753371186 FFTMFYDFHAMWHE-GFCCVEGCSA-N 303.366 -0.870 30 20 DBED C#CCNC(=O)CN1CC[C@H](N(CC)C(=O)[C@@H]2CCN(C)C2)C1 1753462184 SICUTEOADSZRLO-CABCVRRESA-N 320.437 -0.390 30 20 DBED C#CCOCCC(=O)N1CCC[C@@H](CCNCC(=O)NC)C1 1753548662 NLVDQJPFXUNWPC-AWEZNQCLSA-N 309.410 -0.009 30 20 DBED C=CCn1cc(C(=O)N2CCC(CCNCC(N)=O)CC2)nn1 1753575488 JRFZPZRGMQXWOH-UHFFFAOYSA-N 320.397 -0.219 30 20 DBED C=CCNC(=O)CN(C)CCC1CCN(C(=O)CC(N)=O)CC1 1753818688 ZSJIDMUOFFTINB-UHFFFAOYSA-N 324.425 -0.276 30 20 DBED CC#CCNC[C@@H](O)CNC(=O)[C@@H]1COCCN1CC(F)F 1753921078 DMFLLKDOVDJYOO-NEPJUHHUSA-N 319.352 -0.958 30 20 DBED N#Cc1c[nH]c(C(=O)NC/C=C/CN[C@H]2CCC(=O)NC2=O)c1 1754109278 PSYVBXLBTXAQSH-GXFZAYBSSA-N 315.333 -0.433 30 20 DBED N#CCSCC(=O)NC[C@H]1CCN1CC(=O)NCC1CC1 1754473803 QNWMYSXYMBOJHA-GFCCVEGCSA-N 310.423 -0.040 30 20 DBED COC[C@@H](C)[C@@H](C)C(=O)N(C)C1CN(CC(=O)NCC#N)C1 1754576704 WAORMPXTFLWORX-VXGBXAGGSA-N 310.398 -0.313 30 20 DBED C=CCCN[C@@H]1CCN(C(=O)CNC(=O)CNC(C)=O)[C@H](C)C1 1754597684 OFMFLHPUPHSZDC-TZMCWYRMSA-N 324.425 -0.216 30 20 DBED C#CCN(C(=O)c1nc[nH]n1)C1CCN(CC(=O)NC)CC1 1754641661 JDPYCESGSOFOJB-UHFFFAOYSA-N 304.354 -0.910 30 20 DBED C=CCOCCN1CC[C@](O)(CNC(=O)Cn2cccn2)C1 1754747755 RXFXUOVBSVUKSR-HNNXBMFYSA-N 308.382 -0.361 30 20 DBED CC#CCN1CC[C@@](O)(CNC(=O)c2cncc(OC)n2)C1 1754760966 WKSLRFBPTBQFOT-OAHLLOKOSA-N 304.350 -0.325 30 20 DBED C=CCOCCN1CC(O)(CNC(=O)c2ccn(CC)n2)C1 1754775149 KHUUYAGOSXFZHP-UHFFFAOYSA-N 308.382 -0.118 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H]1COCCN1Cc1cnn(C)n1 1754967789 PLPJMLJNHJKRBL-GXTWGEPZSA-N 321.381 -0.830 30 20 DBED CC1(C)CC[C@H]1C(=O)N1CCO[C@@H](CNCC(=O)NCC#N)C1 1755011305 VEXIXSCTCHAVAP-STQMWFEESA-N 322.409 -0.121 30 20 DBED C#CCCCCC(=O)N1CCN(C2CN([C@H](C)C(N)=O)C2)CC1 1755144908 VKWYUJNLAHAUTD-CQSZACIVSA-N 320.437 -0.118 30 20 DBED C#CCNC(=O)CN(C)[C@@H](C)CNC(=O)[C@@H]1CCCOCC1 1755297389 AAOGTVXFVDDFCA-UONOGXRCSA-N 309.410 -0.011 30 20 DBED C=CCN[C@H](CO)CNC(=O)c1coc(S(C)(=O)=O)c1 1755629959 YYSJLENGPBIPBS-JTQLQIEISA-N 302.352 -0.451 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2cc(C)ncn2)[C@@H]1C 1755650644 PDMRPNBBLWRMSG-CHWSQXEVSA-N 315.377 -0.273 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2cn(CC)nn2)[C@@H]1C 1755664410 NBHWERZNHXMPNG-VXGBXAGGSA-N 318.381 -0.760 30 20 DBED C#CCN(C)C[C@H](O)CN(C)C(=O)[C@H]1CCCN(C(C)=O)C1 1755802934 JGIFNTNQHVXNBO-GJZGRUSLSA-N 309.410 -0.371 30 20 DBED C=CCCC(=O)N[C@H](C)C1CN(C(=O)C[C@H]2CC(=O)NC2=O)C1 1756131064 ZKLSKBRJMAVRBZ-GHMZBOCLSA-N 321.377 -0.032 30 20 DBED C[C@@H](C#N)C(=O)NCCCOCCNC(=O)[C@@H]1CCC(=O)NC1 1756399127 WIJRJXURMNOCIS-NWDGAFQWSA-N 324.381 -0.689 30 20 DBED C=CCOCC(=O)NC[C@H](O)CN(C)C(=O)[C@H]1CCN(C)C1 1756664083 YPMPAVYSWQNPEJ-STQMWFEESA-N 313.398 -0.924 30 20 DBED C=CCOCC(=O)N1CC[C@H]1CN(C)C(=O)CCNC(N)=O 1757288467 AFDSMWBTSPAOJH-NSHDSACASA-N 312.370 -0.693 30 20 DBED N#CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CC(O)C1 1792890162 KSFOAUJRWFSNCN-CNLLGSNDSA-N 307.350 -0.739 30 20 DBED N#CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CC1)C2 1795083731 WCKXBPTVXNHZIV-PTEHBNRSSA-N 302.334 -0.207 30 20 DBED C#CCNC(=O)CN1CCN(CC(=O)Nc2cc(C)on2)CC1 22841486 VQSYPZJBBIQBFO-UHFFFAOYSA-N 319.365 -0.711 30 20 DBED CC/N=C(/NCCNC(C)=O)N1CCO[C@H](c2cnn(C)c2)C1 153308242 JDZAMPMUDCGRKG-AWEZNQCLSA-N 322.413 -0.105 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 162735631 IOHXGMPWBCHGNY-KGLIPLIRSA-N 306.410 -0.637 30 20 DBED C[C@H]1OCCN[C@@H]1C(=O)N1CCN(c2cc(C#N)ccn2)CC1 261979819 RKVRBSHSMDBOKJ-DOMZBBRYSA-N 315.377 -0.021 30 20 DBED C=CCN(C(=O)C[C@H]1COCCN1)[C@H]1CCS(=O)(=O)C1 262517833 KJOKVURFDPKZMC-RYUDHWBXSA-N 302.396 -0.433 30 20 DBED COC(=O)[C@H](CC(C)C)Nc1c(C#N)c(=O)n(C)c(=O)n1C 264170660 VRJGGLWPBLYGFN-JTQLQIEISA-N 308.338 -0.045 30 20 DBED C=CCN(CCC(=O)NCC(=O)OC)[C@@H]1CCS(=O)(=O)C1 264746286 VDSNVKNOYXBYNZ-LLVKDONJSA-N 318.395 -0.659 30 20 DBED C=CCNC(=O)CNC(=O)N1CC[C@H](S(=O)(=O)NCC)C1 271951235 DRHLKXBNZYLSTG-JTQLQIEISA-N 318.399 -0.988 30 20 DBED C=CCS(=O)(=O)CCNC(=O)NCCN1CCOCC1 272810793 IATQQNMAZNHMAJ-UHFFFAOYSA-N 305.400 -0.781 30 20 DBED C=CCN1CC[C@H](N(C)S(=O)(=O)CCCC(=O)OC)C1=O 281463196 IOPSROXSWXMEBD-NSHDSACASA-N 318.395 -0.012 30 20 DBED COC(=O)c1cn(CCNS(=O)(=O)CC2(C#N)CC2)nn1 284741883 SZONNKQZLOFCNB-UHFFFAOYSA-N 313.339 -0.712 30 20 DBED CNC(=O)[C@@H]1CN(S(=O)(=O)Cc2ccc(C#N)cc2)CCO1 289160949 LSNPEWYPRDSGTA-ZDUSSCGKSA-N 323.374 -0.165 30 20 DBED CCN1CCC[C@H]1CN/C(N)=N/CCNS(=O)(=O)CC 303895455 PMVGCDDHAKEKMB-NSHDSACASA-N 305.448 -0.686 30 20 DBED C[C@@H](CN1CCN(C)CC1)NS(=O)(=O)N(C)C[C@@H](C)C#N 330393609 QMCPGCKRJISTLT-STQMWFEESA-N 317.459 -0.452 30 20 DBED C[C@H](CNS(=O)(=O)N(C)[C@H](C)CC#N)N1CCOCC1 330405075 DUBZPEFCYDFBDE-VXGBXAGGSA-N 304.416 -0.225 30 20 DBED CS(=O)(=O)C1(CNS(=O)(=O)c2ccc(C#N)nc2)CC1 332115983 AZXZCUQNXZIFDM-UHFFFAOYSA-N 315.376 -0.191 30 20 DBED C=CCCS(=O)(=O)N1CCN(CC(=O)NC2CC2)CC1 332144605 MYQNEJGGGSFASU-UHFFFAOYSA-N 301.412 -0.212 30 20 DBED C[C@H](C(=O)N1CCN(CC(=O)C2CC2)CC1)n1cnc(C#N)n1 342730862 ZRKPCFHOBVAYFR-LLVKDONJSA-N 316.365 -0.166 30 20 DBED CN(CCC#N)S(=O)(=O)NC[C@H]1CCCCS1(=O)=O 343990054 AILCUDAOIVPBLC-SNVBAGLBSA-N 309.413 -0.366 30 20 DBED CO[C@@H]1CCCN(C(=O)C(=O)Nc2ccn(CCC#N)n2)C1 347705074 PUVSKLHRWPBCBD-LLVKDONJSA-N 305.338 0.373 30 20 DBED CC(C)(C)[C@@H](C#N)NS(=O)(=O)CCCCS(N)(=O)=O 349607148 LCBZJTAIOBCEOJ-SECBINFHSA-N 311.429 -0.087 30 20 DBED CN(CC(=O)NCC(=O)c1ccc(C#N)cc1)S(C)(=O)=O 356180944 NBXMNYOACJLUFW-UHFFFAOYSA-N 309.347 -0.251 30 20 DBED CC(C)OCCS(=O)(=O)N1CCN(C(=O)CC#N)CC1 356906741 MEXWUFGWKXBACX-UHFFFAOYSA-N 303.384 -0.201 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1CCN(Cc2ncc[nH]2)CC1 358452317 PJSFNAMHTAFORA-LBPRGKRZSA-N 320.397 -0.072 30 20 DBED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCC[C@H](O)C2)n1 359031647 XIOFFTALDIFIND-NSHDSACASA-N 305.338 0.257 30 20 DBED C[C@](O)(CNC(=O)c1ccc(C#N)nc1)CN1CCOCC1 359844649 YOYVFLJMNUQIGU-HNNXBMFYSA-N 304.350 -0.234 30 20 DBED NC(=O)C1(NC(=O)C#Cc2ccc3c(c2)OCO3)CCOCC1 371279712 KNOPFEXCLHVMJU-UHFFFAOYSA-N 316.313 -0.083 30 20 DBED C=CC[C@@H](NC(=O)N[C@H]1CCN(S(C)(=O)=O)C1)C(=O)O 400176125 DNMCJPNSVFNEKR-DTWKUNHWSA-N 305.356 -0.651 30 20 DBED CNS(=O)(=O)NC1CCN(S(=O)(=O)CCCC#N)CC1 408419132 HBPBJNJJHUYCHG-UHFFFAOYSA-N 324.428 -0.862 30 20 DBED CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1ccn(CCN(C)C)n1 437418315 GFETXZJRGTXFSJ-GFCCVEGCSA-N 320.397 0.391 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@H](C)OCCC=C)CC1 491127403 WLIRISYRPNQIDJ-AWEZNQCLSA-N 307.394 -0.139 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@@H](C)[C@H](C)COC)CC1 491784470 QSQZFSYAOLZHBH-KGLIPLIRSA-N 309.410 -0.201 30 20 DBED N#Cc1ccc(S(=O)(=O)N[C@@H](C(=O)O)[C@H]2CCOC2)cn1 548199192 KNVWESOVZSDDLP-GZMMTYOYSA-N 311.319 -0.279 30 20 DBED CN(CCC#N)S(=O)(=O)N1CC[C@@H](C(=O)O)[C@H](C(=O)O)C1 583119051 KMVUUNMCPHTGGE-RKDXNWHRSA-N 319.339 -0.816 30 20 DBED C[C@H]1[C@@H](C)OCCN1C(=O)C(=O)NC1CCN(CC#N)CC1 588126026 XWIUQBAYDGRKJO-NWDGAFQWSA-N 308.382 -0.274 30 20 DBED N#CCCN(CCN1CCOCC1)S(=O)(=O)[C@@H]1CCOC1 609824186 KWIHKDOIOJKBNA-CYBMUJFWSA-N 317.411 -0.347 30 20 DBED C=CC[C@H](CO)CNC(=O)NCCCN(C)S(C)(=O)=O 678774982 VZJKTFCFBZYFKO-NSHDSACASA-N 307.416 -0.248 30 20 DBED CCN(CC)S(=O)(=O)N1CCN(C(=O)[C@@H](C)C#N)CC1 733887322 XAHCKGYZEDARRN-NSHDSACASA-N 302.400 -0.123 30 20 DBED COCCNC(=O)[C@@H](C#N)C(=O)c1ccc(-c2nn[nH]n2)nc1 737003199 FGGFYLMUAWUMIG-VIFPVBQESA-N 315.293 -0.653 30 20 DBED C#CCOCCNC(=O)C(=O)Nc1ccn([C@@H](C)COC)n1 778702217 RZXOHQZYRMFVFM-NSHDSACASA-N 308.338 -0.205 30 20 DBED C[C@@H]1CN=C(NN=Cc2cnc(N3CCN(C)CC3)nc2)N1 779797394 GMYQILGYMDQBFT-LLVKDONJSA-N 302.386 -0.500 30 20 DBED CCS(=O)(=O)CC(=O)O[C@H](C)C(=O)NC1(C#N)CCC1 787661527 FVWJPDFPWGWYOV-SECBINFHSA-N 302.352 -0.085 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1C[C@H]2C[C@@]2(CO)C1 800122579 LSIQMYZTVCZVRB-NEPJUHHUSA-N 303.384 -0.593 30 20 DBED COC(=O)CC[C@]1(C)NC(=O)N(CN2CCO[C@H](C#N)C2)C1=O 811742993 MCUDOZHCPFCXFS-YGRLFVJLSA-N 324.337 -0.568 30 20 DBED C=CCCOCCNc1c(-c2nn[nH]n2)c(=O)n(C)c(=O)n1C 823898772 AMOZHBGQOHQLSB-UHFFFAOYSA-N 321.341 -0.731 30 20 DBED Cc1ccc(-c2nnn(CC(=O)N[C@H]3CNC[C@H]3C#N)n2)cc1 843459217 DHZJQVWIPCQVPS-OLZOCXBDSA-N 311.349 -0.124 30 20 DBED Cc1nn(CC(=O)[C@@H](C#N)C(=O)Nc2ccccn2)c(=O)n1C 847627672 ARKGYQIGDMLXIT-SNVBAGLBSA-N 314.305 -0.367 30 20 DBED C#CC[C@@H](NC(=O)[C@@H](C)n1cnc2c(N)ncnc21)C(=O)OC 854910326 TYNHTGINYRRHBH-RKDXNWHRSA-N 316.321 -0.349 30 20 DBED C#CC[C@H](CCOC)NC(=O)c1cn(CC(=O)N(C)C)nn1 863788715 DCQFAPRUWVOSLM-LLVKDONJSA-N 307.354 -0.476 30 20 DBED C=CCS(=O)(=O)CCNC(=O)/C=C\CN1CCOCC1 867334422 XXXIVZNERMHALD-ARJAWSKDSA-N 302.396 -0.408 30 20 DBED C#CCCS(=O)(=O)NC1CCN([C@H]2CCN(C)C2=O)CC1 867441108 JKHOSNIACXWKFQ-ZDUSSCGKSA-N 313.423 -0.376 30 20 DBED C=CCS(=O)(=O)NC(=O)[C@@H]1CNC(=O)C[C@@H]1C(F)(F)F 873514581 ZAEQDKVJGJFKSH-RQJHMYQMSA-N 314.285 -0.067 30 20 DBED C#CCN1CCC[C@@H](NC(=O)N2CC(S(=O)(=O)CC)C2)C1 890362247 ATDSRQPXABKWST-GFCCVEGCSA-N 313.423 -0.088 30 20 DBED N#Cc1ccc(NCC(=O)N2CC(N3CCOCC3)C2)nc1 911646299 SOVPLWSSTJCEPH-UHFFFAOYSA-N 301.350 -0.092 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)NCC1CC2(C1)OCCO2 931093842 LKUBCKMCBQWHIP-CYBMUJFWSA-N 324.377 -0.200 30 20 DBED C=CCCN1CC[C@H](NC(=O)CN2C(=O)CNC2=O)[C@H](C)C1 944790954 SMKTUOBHZQXBHV-NEPJUHHUSA-N 308.382 -0.059 30 20 DBED CC#CCN1CCC[C@H](N(C)C(=O)C[C@@H]2NC(=O)NC2=O)CC1 948445012 SOOSYADAAJDJBY-STQMWFEESA-N 320.393 -0.079 30 20 DBED CC(C)(C(N)=O)C(=O)N1CC[C@H]1CNC(=O)c1ccc(C#N)[nH]1 949448795 HRZQZDKVTUNTNS-JTQLQIEISA-N 317.349 -0.271 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@]2(CCN(C(=O)Cc3nc[nH]n3)C2)C1 953210315 IWTQNLMQPBYLMG-IAQYHMDHSA-N 316.365 -0.042 30 20 DBED CC#CCN1C[C@H](CNC(=O)c2cnc3[nH]nnc3c2)[C@@H](O)C1 958149421 SDFZTBPMFGKIHJ-AAEUAGOBSA-N 314.349 -0.601 30 20 DBED C=CCN1C[C@H]2C(NC(=O)[C@H]3C[C@H](OC)CN3C(C)=O)[C@@H]2C1 961360767 SKOKTJMHZBIGDN-REWJHTLYSA-N 307.394 -0.145 30 20 DBED Cn1nnc(C(=O)NC2[C@@H]3CN(Cc4ccccc4C#N)C[C@@H]23)n1 961504750 LTFHYSZKPYCLLY-CHWSQXEVSA-N 323.360 -0.058 30 20 DBED C#CCN1C[C@H]2C(NC(=O)C[C@H]3CCCS(=O)(=O)C3)[C@@H]2C1 962227307 JLLVTLNAXWOJCN-JHJVBQTASA-N 310.419 -0.119 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CN(C(=O)[C@]3(C)CCNC3=O)C[C@H]2C1 962261468 YRYLUMHIDZWNDJ-LSSIXWDNSA-N 318.377 -0.411 30 20 DBED Cc1cn(C)nc1C(=O)N[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1O 962881296 TZJFGDHUAKUDST-IEBDPFPHSA-N 305.338 -0.810 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC2(CN(C(=O)c3n[nH]cc3F)C2)C1 965467357 QPCWVGPRFCLPCC-VIFPVBQESA-N 321.312 -0.238 30 20 DBED C=CCn1cccc1C(=O)N[C@@H]1CN(C(=O)C(N)=O)C[C@@H]1C 966767218 WSIZXAKOMLOSJW-WDEREUQCSA-N 304.350 -0.264 30 20 DBED CCN(C(=O)[C@H]1COCCO1)C1CN(C(=O)C#CC2CC2)C1 967810309 OQSOSXGZCYAVOX-CQSZACIVSA-N 306.362 -0.126 30 20 DBED C#CCCN1CC[C@H](C)[C@@H](NC(=O)CN2C(=O)CNC2=O)C1 968626637 BZZYVCAVCQAIOK-RYUDHWBXSA-N 306.366 -0.612 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@@H](NCc2cnon2)C1 968954161 AHWYLYVZQIXGGO-OCCSQVGLSA-N 303.366 -0.142 30 20 DBED C=CCN1CC[C@H](N[C@@H]2CCN(C(=O)C(C)(C)C(N)=O)C2)C1=O 968987120 XXBVLHUUSWHDKJ-NEPJUHHUSA-N 322.409 -0.525 30 20 DBED N#CCN[C@@H]1CCN(C(=O)Cn2nc3ccccn3c2=O)C1 969523912 XAEJTCFNAJJNFI-LLVKDONJSA-N 300.322 -0.790 30 20 DBED C#CCN1C[C@@]2(C)CN(C(=O)CN3CCNC(=O)C3)C[C@@]2(C)C1 982432586 OYPDWRWBCPPRQN-CALCHBBNSA-N 318.421 -0.778 30 20 DBED C=CCCn1cc(C(=O)N2CC(NC(=O)[C@@H]3CCCO3)C2)nn1 990169620 LDCFASBNHYYNAT-ZDUSSCGKSA-N 319.365 -0.026 30 20 DBED Cn1cc(CC(=O)NC2CN(C(=O)c3ccc(C#N)[nH]3)C2)cn1 990439147 WUHLUIXTYMIKIH-UHFFFAOYSA-N 312.333 -0.197 30 20 DBED C#CCN1CCC(C(=O)NC2CN(C(=O)c3cnon3)C2)CC1 993855505 QVNSEFNCHDOCTL-UHFFFAOYSA-N 317.349 -0.645 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN(C(=O)c2cnon2)C1 994753251 XLXXWTHLLLKFFZ-LBPRGKRZSA-N 303.322 -0.892 30 20 DBED CN1CC[C@H](C(=O)N2C[C@H](NCC#N)C(C)(C)C2)S1(=O)=O 996401129 JUYPJGFTOPTWED-MNOVXSKESA-N 314.411 -0.630 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CC[C@H]1CN2C(=O)Cc1nc[nH]n1 1007499386 USXDOXDNAADHCI-MXWKQRLJSA-N 302.338 -0.291 30 20 DBED C=CCCn1cc(C(=O)N2C[C@@H](NC(=O)C(N)=O)C[C@@H]2C)nn1 1012727570 IMXLKXHAPZCZHY-UWVGGRQHSA-N 320.353 -0.941 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(C1)CN(C(=O)[C@H]1CCNC1=O)C2 1019251165 HGCAZFRXWHTESU-QWRGUYRKSA-N 304.350 -0.657 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@H]3CN(C(=O)C(N)=O)C[C@H]32)[nH]1 1021414140 KEMBRMXPQVFFMR-GZMMTYOYSA-N 301.306 -0.955 30 20 DBED C=CCN1CC[C@@H](N[C@H]2C[C@@H](NC(=O)c3cnon3)C2)C1=O 1022872318 IEMCPIUJHUNSMW-OUAUKWLOSA-N 305.338 -0.293 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2COCCO2)C1 1023094408 KKUXWVXKDOJPTP-UTUOFQBUSA-N 312.366 -0.698 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 1023465981 LUXLBSUEKFEMBG-XXILOJSOSA-N 301.306 -0.652 30 20 DBED C#CCOc1ncccc1C(=O)NC[C@H]1CCCN1CC(N)=O 1028270938 WNSRQMRBDQMMJB-GFCCVEGCSA-N 316.361 -0.227 30 20 DBED C#Cc1cncc(C(=O)NC[C@@H]2CN([C@@H](C)C(N)=O)CCO2)c1 1035505438 JQISRHRSIFMHDG-SMDDNHRTSA-N 316.361 -0.633 30 20 DBED C#CCCN1CCO[C@@H](CNC(=O)[C@H]2CCCS2(=O)=O)C1 1035608450 DCBNBOUVAHAHEY-QWHCGFSZSA-N 314.407 -0.596 30 20 DBED C=CCCn1cc(C(=O)N2CC[C@@H](NCC(N)=O)[C@@H](C)C2)nn1 1036211891 MIPCEEYNBQFHCD-NWDGAFQWSA-N 320.397 -0.220 30 20 DBED N#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCS(=O)(=O)N1 1039473087 UXAFHWNTMIWNED-GRYCIOLGSA-N 312.395 -0.733 30 20 DBED CN1C[C@@H](C(=O)N2CCC3(CCN(CC#N)CC3)C2)NC1=O 1040798784 SKHXLGGNLIDLDE-LBPRGKRZSA-N 305.382 -0.152 30 20 DBED N#Cc1cncc(N2C[C@@H](O)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)n1 1040964521 FUTWEFPSPNMPQG-CHWSQXEVSA-N 323.316 -0.472 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)C2CCOCC2)C1 1041122142 RJRXWVDBBCMITK-UHFFFAOYSA-N 312.366 -0.695 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(O)(CNC(=O)c2ccoc2)C1 1041456520 SIXFLTUBJACZGY-CQSZACIVSA-N 308.334 -0.090 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)[C@]2(C)CCNC(=O)C2)C1 1041972847 JPWIGPMHSIDMLL-OAHLLOKOSA-N 323.393 -0.442 30 20 DBED C=C(C)CCC(=O)NCC1(O)CN(C(=O)CCn2cnnn2)C1 1043311895 ZYVLTHPGABVIKP-UHFFFAOYSA-N 322.369 -0.891 30 20 DBED CN1CCC[C@H]1C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1043874394 IQCCRBLGBMIAIA-AGIUHOORSA-N 316.365 -0.892 30 20 DBED Cc1cc(N2C[C@H](O)[C@H](NC(=O)c3cnn[nH]3)C2)c(C#N)cn1 1044788919 SQKVKBDTAIOLGL-YPMHNXCESA-N 313.321 -0.641 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)[C@@]2(C)CCOC2)C1 1045298005 JDXIWVZQBOTWNZ-AWEZNQCLSA-N 312.366 -0.695 30 20 DBED N#Cc1cnc(N[C@H]2C[C@H](CNC(=O)[C@H]3CCC(=O)N3)C2)cn1 1046749449 KBCLAUUIFJJEJA-CKYFFXLPSA-N 314.349 -0.066 30 20 DBED N#CCN1C[C@H]2C[C@@H](NC(=O)c3nccnc3C(N)=O)C[C@H]1C2 1047194942 ARIXZWFUTUJFKO-HBNTYKKESA-N 314.349 -0.318 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@]2(C)CCC(=O)NC2)C1 1047498142 HEWIBXSBVJJMNA-HEHGZKQESA-N 307.394 -0.571 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2ncn(C(C)(C)C)n2)C1 1047525364 IISYOKLLQTTXTE-RYUDHWBXSA-N 305.382 -0.217 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CN([C@H](C)c3nnnn3C)C[C@@H]2C1 1048727800 MUUFNKOHAJKWSW-KKOKHZNYSA-N 303.370 -0.179 30 20 DBED C#CCO[C@H](C)C(=O)N(C)[C@H]1CN(C(=O)C(C)(F)F)C[C@@H]1O 1048845015 WXDDFNIRCISTCW-VWYCJHECSA-N 318.320 -0.290 30 20 DBED C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)Cn1ccc(O)nc1=O 1049579287 KDDJFCSIMMMOAT-OLZOCXBDSA-N 316.361 -0.353 30 20 DBED C#CCCN1CCC2(CC1)CN(C(=O)C[C@@H]1NC(=O)NC1=O)C2 1050550680 LOFRAIQHVXFBER-LBPRGKRZSA-N 318.377 -0.468 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)CC[C@@H]1NC(=O)NC1=O)C2 1050748192 KJWVKVLKCMKNRP-LBPRGKRZSA-N 318.377 -0.468 30 20 DBED C[C@@H]1[C@@H](NC(=O)[C@@H]2CCNC2=O)CCN1c1ccc(C#N)nn1 1050850113 SSUPKYZUPJEEBU-JLLWLGSASA-N 314.349 -0.432 30 20 DBED C=CCN1CCOC[C@H]1CNC(=O)c1cn([C@H]2CCOC2)nn1 1051202207 GUTCORLHLHYDCU-QWHCGFSZSA-N 321.381 -0.144 30 20 DBED CC1(C)C[C@H](NC(=O)C(N)=O)CCN(c2cncc(C#N)n2)C1 1051377198 QIRHEDLFFXVEPJ-SNVBAGLBSA-N 316.365 -0.055 30 20 DBED C[C@H]1CN(C(=O)CNC(N)=O)C[C@@H]1CNC(=O)C#CC(C)(C)C 1051933588 GLVBPSAKRLUDPI-RYUDHWBXSA-N 322.409 -0.085 30 20 DBED C=CCOCC(=O)N1C[C@H](C)[C@H](CNC(=O)Cn2ncnn2)C1 1052221840 UKIACVNFYTWFQI-NWDGAFQWSA-N 322.369 -0.914 30 20 DBED C#CCN1CCC[C@H](NC(=O)c2nccnc2C(N)=O)CC1 1052921160 GJTWUMUDLOWYRP-NSHDSACASA-N 301.350 -0.207 30 20 DBED C=C(Br)CN1CC2(C1)CN(C(=O)C(N)=O)CCO2 1053404493 IEHKOMCRIIQTCA-UHFFFAOYSA-N 318.171 -0.707 30 20 DBED C=CCN1CC2(C1)CN(C(=O)CC[C@H]1NC(=O)NC1=O)CCO2 1053526911 BUGYTILIAQJJQM-LLVKDONJSA-N 322.365 -0.926 30 20 DBED C#CCN1CC2(CC[C@H](CNC(=O)c3ccc(=O)n(C)n3)O2)C1 1053696455 JJDOESQVVKVOHD-GFCCVEGCSA-N 316.361 -0.623 30 20 DBED CCc1cnc(CC(=O)N[C@@H]2COC3(C2)CN(CC#N)C3)[nH]1 1053836710 PCOWIBFCZKILGI-LBPRGKRZSA-N 303.366 -0.002 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)Cc3cn(CC)nn3)CO2)C1 1053878170 CQTOMJULLAJAKP-AWEZNQCLSA-N 317.393 -0.177 30 20 DBED C=C(C)CN1CC2(C[C@@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)CO2)C1 1053923733 ASHKZJMJALLRNP-FRRDWIJNSA-N 323.393 -0.445 30 20 DBED C=CCOCC(=O)N[C@@]1(CO)CCCN(C(=O)c2ccon2)C1 1055830730 BWQCLJRHJWRCCT-HNNXBMFYSA-N 323.349 -0.040 30 20 DBED N#Cc1cnc(N2CCN(C(=O)[C@H]3CCCC(=O)N3)CC2)cn1 1055931012 KERTYAKYFNLEFQ-GFCCVEGCSA-N 314.349 -0.334 30 20 DBED Cc1nonc1C(=O)NC1[C@H]2CN(c3ccc(C#N)nn3)C[C@H]12 1056242817 QTTDUQYTBQHYOY-UWVGGRQHSA-N 311.305 -0.096 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCN(CCO)C(=O)c1ccc[nH]1 1056951175 DQZBGJFKGICXNX-OAHLLOKOSA-N 309.366 -0.108 30 20 DBED C=CCO[C@H](C)C(=O)NCCN(CCO)C(=O)[C@H](C)OC 1057114938 WJFUIAGPVAYJNC-NEPJUHHUSA-N 302.371 -0.451 30 20 DBED C=C[C@@](C)(O)CC(=O)N(CCO)CCNC(=O)[C@H](F)CC 1057451442 LIXSUMZLSHBFGH-BXUZGUMPSA-N 304.362 -0.001 30 20 DBED N#Cc1nccnc1N1CCC(NC(=O)Cn2cncn2)CC1 1057871014 VUYRWSURCGZHHW-UHFFFAOYSA-N 312.337 -0.275 30 20 DBED C=CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)c1n[nH]cc1C 1057921971 UNZRHOKCGQUGLZ-LBPRGKRZSA-N 324.381 -0.140 30 20 DBED C=CCC(C)(C)C(=O)NCCN(CCO)C(=O)c1cnn(C)n1 1058095429 GPUCVNXSZCNSJZ-UHFFFAOYSA-N 323.397 -0.032 30 20 DBED N#Cc1cnc(N2CCC[C@@H](NC(=O)[C@@H]3CCNC3=O)C2)cn1 1058221212 XRHBKZWTRNOUGZ-ZYHUDNBSSA-N 314.349 -0.431 30 20 DBED CN1CCO[C@@H](C(=O)N[C@H]2CCN(c3ccc(C#N)nn3)C2)C1 1058316768 HGIACTDXPROWCS-QWHCGFSZSA-N 316.365 -0.626 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)[C@@H]1CCCOCC1 1058653072 LSLFGLZNIGLYAT-QWHCGFSZSA-N 311.382 -0.100 30 20 DBED N#Cc1nccnc1N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[C@@H]2C(N)=O)C1 1059784732 XXIFWLUMOSLYTO-ZRUFSTJUSA-N 314.349 -0.081 30 20 DBED N#Cc1ccc(N[C@H]2C[C@@H](NC(=O)[C@H]3CNC(=O)N3)C2)nn1 1059802644 IUBDFBNLWWFKAJ-KXUCPTDWSA-N 301.310 -0.911 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CC[C@H](CNC(=O)Cn2cnnn2)CC1 1060812773 FHBICWFDFILAOF-IJLUTSLNSA-N 319.369 -0.376 30 20 DBED C=CCCC(=O)N1CCOC[C@H]1CNC(=O)C1(NC(N)=O)CC1 1061514503 BORGYVAHSIKTCN-LLVKDONJSA-N 324.381 -0.503 30 20 DBED C#CCCCC(=O)NC[C@@H]1COCCN1C(=O)[C@H]1CCC(=O)N1 1061535585 GYHYNHYJVWBWIR-CHWSQXEVSA-N 321.377 -0.588 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)CCCCC(N)=O 1061849021 YDVGIFXYEWMKRD-RYUDHWBXSA-N 324.381 -0.465 30 20 DBED Cc1n[nH]cc1C(=O)N1CCOC[C@@H]1CNC(=O)[C@H](C)C#N 1061850865 CLQSVFSHEDKSMB-KOLCDFICSA-N 305.338 -0.165 30 20 DBED C=CCCOCC(=O)NC[C@@H]1CN(C(=O)CCOC)CCO1 1064736096 PXVWVMPDDOOUCZ-CYBMUJFWSA-N 314.382 -0.041 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)[C@H]2CCCO2)CCO1 1064814978 SMUQLLQRSFZNGN-CHWSQXEVSA-N 312.366 -0.288 30 20 DBED C=CCCC(=O)N1CCO[C@H](CNC(=O)CCn2cncn2)C1 1064953438 JJGXUBGGHFSHGE-CYBMUJFWSA-N 321.381 -0.022 30 20 DBED C[C@]1(NC(=O)[C@H]2CCC(=O)N2)CCN(c2ccc(C#N)nn2)C1 1065223858 IOYCKHNIKAFDFK-ABAIWWIYSA-N 314.349 -0.288 30 20 DBED Cn1ncc(C(=O)N[C@@]2(C)CCN(c3nccnc3C#N)C2)n1 1065264159 WTACPDXWTKQUPK-AWEZNQCLSA-N 312.337 -0.124 30 20 DBED N#Cc1ccc(N2CC[C@H]3[C@H]2CCCN3C(=O)C(N)=O)nn1 1066183462 QMLPJGDTBOZOHN-MNOVXSKESA-N 300.322 -0.597 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](CNC(=O)c3ccnnc3)C2)cn1 1067693946 SALALYOJBHVYMB-DOMZBBRYSA-N 324.344 -0.030 30 20 DBED Cc1cc(C#N)nc(N[C@H](C)[C@@H]2CN(C(=O)C(N)=O)CCO2)n1 1068244246 SUKVNZRVHWTGLH-KOLCDFICSA-N 318.337 -0.830 30 20 DBED Cc1ncc(C(=O)N[C@@H]2CN(CC#N)C[C@@H]2n2ccnn2)[nH]1 1069903923 XQFZELQCLHOJRM-NEPJUHHUSA-N 300.326 -0.512 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)C[C@H]2CCOC2)C1 1069904632 JTCGACRNNXTDJG-MCIONIFRSA-N 303.366 -0.321 30 20 DBED C=CCN1C[C@H]2C[C@@H]3CN(C(=O)[C@H]4CN(C)C(=O)N4)C[C@@]3(C1)O2 1070836543 ZJESVUOQUHUWSF-BRXULGCHSA-N 320.393 -0.502 30 20 DBED COCC(=O)NCCC(=O)N[C@@H]1CCCN(C(=O)[C@@H](C)C#N)C1 1071229057 GUHUJYWBWDNKEP-NWDGAFQWSA-N 324.381 -0.594 30 20 DBED CC#CCN1C[C@H](NC(=O)CN2CCOCC2=O)CC[C@@H]1C 1071575245 UFXHDGONVZCYSN-UONOGXRCSA-N 307.394 -0.162 30 20 DBED C=CCOCC(=O)N1C[C@H](C)[C@H](NC(=O)CNC(=O)NC)C1 1071804494 CHUYHSQDUGPLIQ-WDEREUQCSA-N 312.370 -0.919 30 20 DBED C[C@@H]1CN(C(=O)Cn2ncnn2)CC[C@H]1NC(=O)C#CC1CC1 1073949422 QSYQJCHFXZNBIU-DGCLKSJQSA-N 316.365 -0.560 30 20 DBED C=C[C@@H](CC)CC(=O)N1CCC(O)(CNC(=O)C(N)=O)CC1 1074684723 LNJYTYWUQPLPJH-NSHDSACASA-N 311.382 -0.456 30 20 DBED C=C(Cl)CN[C@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)[C@H]1C 1074690384 XXZURAMLCNUAQJ-GUBZILKMSA-N 314.773 -0.084 30 20 DBED C=C1CCC(C(=O)N2CCC(O)(CNC(=O)C(N)=O)CC2)CC1 1074715721 MQDJMQSBVZDATL-UHFFFAOYSA-N 323.393 -0.312 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)[C@H](O)C(C)C 1076360250 ORIMZWGEAJBLBS-SMDDNHRTSA-N 311.382 -0.846 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H](C)CCNC(=O)c1cn(C)nn1 1076368800 TUOAEVXKCRNQLG-QWRGUYRKSA-N 307.354 -0.522 30 20 DBED C#CCO[C@@H](C)C(=O)NCC[C@H](C)NC(=O)C1(C(=O)NC)CC1 1076507630 OSHUALAFKKWKQT-RYUDHWBXSA-N 323.393 -0.438 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN([C@@H]3CCC(=O)NC3=O)C[C@H]2O)C1 1077641731 DUVGIPPAXJUZRR-IJLUTSLNSA-N 321.377 -0.691 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)c2cccn3c(O)nnc23)C1 1077995500 CDOPUTIJVVOWFG-VXGBXAGGSA-N 317.349 -0.214 30 20 DBED C[C@@H](CCNC(=O)[C@@H](C)C#N)NC(=O)CN1CCC(=O)NC1=O 1078136913 YIUPXDCJTKQFFS-UWVGGRQHSA-N 323.353 -0.901 30 20 DBED C[C@@H](CCNC(=O)[C@@H](C)C#N)NC(=O)CC1CS(=O)(=O)C1 1078139292 MDOPJDNECQTHTJ-UWVGGRQHSA-N 315.395 -0.408 30 20 DBED C=CCOCC(=O)N(CC)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1079490525 TVBQMQQRZZGLDS-VXGBXAGGSA-N 311.338 -0.087 30 20 DBED CCN(C(=O)CN1C(=O)CCC1=O)C1CN(C(=O)[C@@H](C)C#N)C1 1079754213 HMBLYZCNFIZVIM-JTQLQIEISA-N 320.349 -0.646 30 20 DBED C#CCOCCC(=O)NC1(CO)CCN(C(=O)[C@@H](C)C#N)CC1 1080859241 PJNHLEIAABLAER-ZDUSSCGKSA-N 321.377 -0.344 30 20 DBED C#CCOCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)C(C)(F)F)C1 1081186107 KTODLQCCCJPIBI-GHMZBOCLSA-N 318.320 -0.383 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@H](CNC(=O)COCCC)C1 1081327114 IWLIBWMKIYJSRR-OLZOCXBDSA-N 314.382 -0.449 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)Cc2cncn2C)C[C@H]1O 1081336043 SHFPNGWNQHLMHK-GXTWGEPZSA-N 320.393 -0.136 30 20 DBED C=CCOCC(=O)N1C[C@H](CNC(=O)c2cnc(C)[nH]2)[C@@H](O)C1 1081345818 AMDKHROJSNEKIQ-AAEUAGOBSA-N 322.365 -0.530 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)CN2CCCC2)C[C@@H]1O 1081444899 OKQLSSGXBOYDBZ-CABCVRRESA-N 321.421 -0.179 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1O 1081463082 JEECVMLUOFPTPL-LSDHHAIUSA-N 323.437 -0.079 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1cnc(N(C)C)cn1 1081664895 YYSPXSGBNPGVMB-VXGBXAGGSA-N 304.354 -0.505 30 20 DBED C=CCCCC(=O)NC[C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1O 1081702294 DHTZIBDNMZNKOR-DGCLKSJQSA-N 321.381 -0.280 30 20 DBED C=CCn1cccc1C(=O)N[C@@H]1CN(CC(N)=O)C[C@H]1OC 1081801236 NEYVOAOMIWVYBH-DGCLKSJQSA-N 306.366 -0.412 30 20 DBED C#CCO[C@H](C)C(=O)N1CCCC[C@H]1CNC(=O)CNC(N)=O 1082074824 QHGNQIPRNNFXDZ-NEPJUHHUSA-N 324.381 -0.810 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1cn([C@@H]2CCOC2)nn1 1082310204 GUXCMCPRAMPYLP-NQBHXWOUSA-N 320.353 -0.808 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H]2CN(Cc3cn(C)nn3)C[C@@H]21 1083027049 XODPSBQNPMPASL-WCFLWFBJSA-N 304.354 -0.614 30 20 DBED C=CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1ccc(=O)n(C)n1 1083267264 RXLCYVCEHLLBNM-UONOGXRCSA-N 318.377 -0.118 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1c[nH]c(C(N)=O)c1 1083276730 SHNLREDRYAFAOF-QWHCGFSZSA-N 302.334 -0.728 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)c2nn3c(c2C)OCCC3)C1 1083508129 RALVYUWFTWEUIE-NEPJUHHUSA-N 306.366 -0.065 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2scc3c2OCCO3)C1 1083913343 RZHQKXATKDDERB-ZJUUUORDSA-N 308.359 -0.073 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1CC(=O)N(C)C 1085648251 HTYKWGWNIORPIG-CABCVRRESA-N 320.437 -0.295 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H]1C[C@H](N[C@H](C)C(N)=O)C1 1086389605 SXPNNHAWVHKCGH-SYQHCUMBSA-N 306.410 -0.558 30 20 DBED C=C(Cl)CN1CC[C@@H](NC(=O)C2CN(C(C)=O)C2)[C@@H](O)C1 1090214086 UMWVFVVWRAMKLS-OLZOCXBDSA-N 315.801 -0.231 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2cn(C3CCC3)nn2)[C@@H](O)C1 1090274863 WYGZAVBQOUEMMC-YPMHNXCESA-N 304.354 -0.308 30 20 DBED COCC1(C(=O)N[C@@H]2CN(c3cnc(C#N)cn3)C[C@H]2O)CC1 1090507224 UIVOUMDJZKDISZ-VXGBXAGGSA-N 317.349 -0.559 30 20 DBED C[C@@H](CC(N)=O)C(=O)N[C@H]1CCN(c2cnc(C#N)cn2)[C@@H]1C 1092034034 TVLQEPHIMRRPKX-UMNHJUIQSA-N 316.365 -0.057 30 20 DBED COCCCC(=O)N[C@H]1CCN(c2ccc(C#N)nn2)C[C@@H]1O 1092137923 PIYKKHSFSZHIIS-STQMWFEESA-N 319.365 -0.169 30 20 DBED C#CCN1C[C@@H]2CN(C(=O)CN3CC(=O)N(C)C3=O)C[C@]2(C)C1 1092196092 WAMGFEXJVXCPCK-WBMJQRKESA-N 318.377 -0.706 30 20 DBED N#Cc1ccc(NCCNC(=O)[C@@H]2CCS(=O)(=O)N2)cn1 1093659279 CFOGNDGVAPXAJO-NSHDSACASA-N 309.351 -0.827 30 20 DBED N#Cc1ccc(NCCNC(=O)COC[C@@H]2CCOC2)nn1 1093867124 PCOXFEGRGSGPHY-LLVKDONJSA-N 305.338 -0.071 30 20 DBED C=C[C@](C)(O)CC(=O)NCCCNc1ccc2nnnn2n1 1094384466 UYWOWDHQONWJRT-ZDUSSCGKSA-N 305.342 -0.235 30 20 DBED C#CCCN1CCN(C(=O)[C@@H]2C[C@H]2C)[C@@H]2CS(=O)(=O)C[C@@H]21 1094652605 LUYOIUWROBIVBE-YIYPIFLZSA-N 310.419 -0.025 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)c3n[nH]c(C)c3O)CC2=O)C1 1094721729 JMBGYRMBBUSWNY-SNVBAGLBSA-N 319.365 -0.375 30 20 DBED Cc1nc(O)[nH]c1C(=O)NC[C@@H](C)N=c1cc[nH]c(C#N)n1 1098107841 RXYSUFJCSQSXLN-SSDOTTSWSA-N 301.310 -0.262 30 20 DBED C[C@@H](CNC(=O)c1cc(=O)n(C)cn1)Nc1ccc(C#N)nn1 1098362384 COBLIXDEWYWENZ-VIFPVBQESA-N 313.321 -0.328 30 20 DBED C[C@@H](CNC(=O)CCS(C)(=O)=O)Nc1cncc(C#N)n1 1098393217 SFGUFWMOQQTIQV-VIFPVBQESA-N 311.367 -0.300 30 20 DBED CNC(=O)NCC(=O)N1CC[C@@H](CNc2cnc(C#N)cn2)C1 1098579194 QEJSURGMFMKUPB-JTQLQIEISA-N 317.353 -0.462 30 20 DBED C=CCNCc1cn([C@H]2CCN(C(=O)[C@@H](COC)OC)C2)nn1 1098722143 LJTHXEXCCMDCPJ-UONOGXRCSA-N 323.397 -0.012 30 20 DBED CN(C)C(=O)CN1CC[C@@H](NC(=O)C#CC(C)(C)C)[C@@H](O)C1 1099829909 JUCSQZYYFGGWQY-OLZOCXBDSA-N 309.410 -0.325 30 20 DBED C#CCCN1CC[C@@H](NC(=O)COCc2nccn2C)[C@@H](O)C1 1099887695 JBNOPBXNVAURLD-KGLIPLIRSA-N 320.393 -0.489 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)c2cc(C)co2)[C@@H](O)C1 1099949979 XCJURPOZODOOTQ-STQMWFEESA-N 319.361 -0.498 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)Cc2cncn2C)[C@@H](O)C1 1100073494 CXGZCPVKMJOMCS-GJZGRUSLSA-N 322.409 -0.283 30 20 DBED CC(=O)NCCCCCC(=O)N[C@@H]1CCN(CC#N)C[C@@H]1O 1100101684 QXHRWBCCDFEYSH-KGLIPLIRSA-N 310.398 -0.242 30 20 DBED CCN1CCO[C@@H](C(=O)NCCN(C)c2cncc(C#N)n2)C1 1100135207 KTHHSEAROMAZFM-CYBMUJFWSA-N 318.381 -0.379 30 20 DBED N#CCNC(=O)CNC1CC(CNC(=O)C[C@H]2CCOC2)C1 1100214543 UZFSFFRWJGYXNA-PNESKVBLSA-N 308.382 -0.463 30 20 DBED CC1(C)C(=O)NC(=O)N1CC(=O)NCC1CC(NCC#N)C1 1100827889 ZEZICKQSSJHZEK-UHFFFAOYSA-N 307.354 -0.675 30 20 DBED CCc1nc(C#N)cc(NCCN(C)C(=O)Cn2cnnn2)n1 1101495759 ZLMYRJZZUUXQFS-UHFFFAOYSA-N 315.341 -0.532 30 20 DBED N#Cc1cnccc1N1C[C@@H]2C[C@H]1CN2C(=O)CNC(N)=O 1102536073 HRMTXDMUEUSHCQ-QWRGUYRKSA-N 300.322 -0.589 30 20 DBED CNC(=O)CC(=O)NCC[C@H]1CCCN1c1cnc(C#N)cn1 1103741889 BHVDRNZYLUMVSG-GFCCVEGCSA-N 316.365 -0.041 30 20 DBED C[C@H](CNC(=O)Cn1cnnn1)CNc1ncc(C#N)cc1F 1103853544 IEGZZOKVIMZHKD-SECBINFHSA-N 318.316 -0.057 30 20 DBED C[C@H](CNc1nccnc1C#N)N(C)C(=O)CN1CCOCC1 1104526837 HWEWBKAJGXQSGL-GFCCVEGCSA-N 318.381 -0.061 30 20 DBED C#CCNCc1cn(C2CN(C(=O)C(=O)C(C)(C)C)C2)nn1 1105197037 CWDUZPRDIOGULA-UHFFFAOYSA-N 303.366 -0.001 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(n2cc(CNCCO)nn2)C1 1105223727 GWMJJAMXTASBNO-AWEZNQCLSA-N 309.370 -0.930 30 20 DBED N#CCNCc1cn(C2CN(C(=O)Cn3ccnc3)C2)nn1 1105382661 LSPWHLLTOZMECW-UHFFFAOYSA-N 300.326 -0.829 30 20 DBED Cc1cc(NC[C@@H](O)CNC(=O)C#CC(C)C)n2ncnc2n1 1105811648 FXEVMQJMLMGUAI-GFCCVEGCSA-N 316.365 -0.019 30 20 DBED CCc1nc(C#N)cc(NC[C@@H](O)CNC(=O)[C@H](O)C(C)C)n1 1105838743 CMBUDISXASLUNE-BXUZGUMPSA-N 321.381 -0.183 30 20 DBED CCOCCC(=O)N1C[C@@H](C)[C@H](CNCC(=O)NCC#N)C1 1105926859 KZWZLUPRSLSORF-CHWSQXEVSA-N 310.398 -0.263 30 20 DBED C=CCNC(=O)CNC[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2)C[C@H]1C 1105936522 DREXOUVAFRRYDW-JHJVBQTASA-N 322.409 -0.749 30 20 DBED CNC(=O)NCC(=O)N1C[C@@H](C)[C@H](CNCC#CCOC)C1 1106213746 ICKWGXRKCKKQLS-CHWSQXEVSA-N 310.398 -0.751 30 20 DBED CS(=O)(=O)CC(=O)NC/C=C/CNc1ccc(C#N)nn1 1107104778 DXIAHKDWCJIBCL-NSCUHMNNSA-N 309.351 -0.523 30 20 DBED N#Cc1cnc(NC/C=C\CNC(=O)Cn2cnnc2O)cn1 1107134147 SIMWICKVKNSLAT-UPHRSURJSA-N 314.309 -0.570 30 20 DBED C[C@@H](C#N)C(=O)NCc1cn(C2CN(Cc3cnon3)C2)nn1 1107149875 UGZGUALVFSNYDE-VIFPVBQESA-N 316.325 -0.506 30 20 DBED COc1cc(C(=O)NC[C@]2(C)CN(CC#N)CCO2)nn1C 1108063101 MRZQFZCACPKSII-CQSZACIVSA-N 307.354 -0.227 30 20 DBED CC(=O)N1CC[C@H](C(=O)N[C@@H](C)CN=c2cc[nH]c(C#N)n2)C1 1108472573 BRJSVYGPYYHVBG-JQWIXIFHSA-N 316.365 -0.445 30 20 DBED CC#CCN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1cnnc1O)C2 1108663788 XOMXINAMONJAAM-AVGNSLFASA-N 303.366 -0.024 30 20 DBED C[C@@H](CNc1ccc(C#N)nn1)NC(=O)[C@]1(C)CCC(=O)N1 1108671230 JMAKESBCDHKWQZ-XPTSAGLGSA-N 302.338 -0.066 30 20 DBED C[C@@H](CN=c1cc[nH]cc1C#N)NC(=O)[C@@]1(C)CCNC1=O 1108694580 XZBBXWKXUANPMQ-BONVTDFDSA-N 301.350 -0.182 30 20 DBED N#CCNC(=O)CN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1nc[nH]n1)C2 1108781504 WVXRLXAXQLEOPN-DCAQKATOSA-N 317.353 -0.973 30 20 DBED C[C@H](CN(C)c1nccnc1C#N)NC(=O)Cn1cncn1 1108960213 KUSZDIPQXPMCGG-SNVBAGLBSA-N 300.326 -0.419 30 20 DBED C[C@H](CN(C)c1nccnc1C#N)NC(=O)C1CS(=O)(=O)C1 1109117054 RMIIVQZNBQFVCK-SECBINFHSA-N 323.378 -0.666 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](NC(=O)CNC(N)=O)C2CC2)n1 1109753551 CDVNQMVFLMHZNZ-LLVKDONJSA-N 317.353 -0.368 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(N)=O 1109804433 OWYYCOACKWXYSY-RFGFWPKPSA-N 322.409 -0.336 30 20 DBED C[C@]1(NC(=O)CS(C)(=O)=O)CCN(c2ccnc(C#N)n2)C1 1110719246 SXDGFTNREPWQCS-ZDUSSCGKSA-N 323.378 -0.522 30 20 DBED COCC(=O)N[C@@]1(CO)CCCN(c2nccnc2C#N)C1 1111336678 VTUGXNMOFVBFJL-AWEZNQCLSA-N 305.338 -0.558 30 20 DBED C[C@@H](C#N)C(=O)N[C@]1(CO)CCCN(c2cncc(C#N)n2)C1 1111342693 DSSXIPLHLBGLOV-XHDPSFHLSA-N 314.349 -0.045 30 20 DBED COCCC(=O)N(CCO)CCN=c1cc(C)[nH]cc1C#N 1111422189 IDXNXWUXZBLURF-UHFFFAOYSA-N 306.366 -0.047 30 20 DBED CN(CCCN(C)c1cnc(C#N)cn1)C(=O)[C@@H]1CCNC1=O 1112151548 NUURGUAMQDJHGT-GFCCVEGCSA-N 316.365 -0.231 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)c2cncnc2)CC1 1112784036 NMDFDLSFOOVQOW-GFCCVEGCSA-N 301.350 -0.628 30 20 DBED C[C@H]1C[C@@H](C(=O)N2CCN(CC(=O)NCC#N)CC2)CCO1 1113459271 WVALQTJUUFKEOV-STQMWFEESA-N 308.382 -0.415 30 20 DBED C[C@@H](CNC(=O)CCn1cnnn1)N(C)c1ccncc1C#N 1113685488 AGRBWDAMVXNQKM-NSHDSACASA-N 314.353 -0.029 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3c(C)noc3C)[C@H]2C1 1113838728 INVGJIRUVBYAJA-RYUDHWBXSA-N 316.361 -0.299 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)COCC=C)[C@H]2C1 1114050371 BAQCCVHPKHKEDF-CXTNEJHOSA-N 307.394 -0.074 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@H](CC)NC(C)=O)[C@H]2C1 1114861778 IHCKQFZWSKOGHO-SFDCQRBFSA-N 322.409 -0.750 30 20 DBED C=CCCCN1C[C@H]2[C@H](NC(=O)CC[C@H]3NC(=O)NC3=O)[C@H]2C1 1115217544 XCNVNZLOAICGKP-CZXHOFHRSA-N 320.393 -0.013 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)c3cn(C)c(=O)n3C)[C@H]2C1 1115306371 NOLUNCDBIFWZQK-IMRBUKKESA-N 318.377 -0.966 30 20 DBED CNC(=O)C1(C(=O)N(C)C[C@H](C)N=c2cc[nH]c(C#N)n2)CC1 1115784145 NIHOZOCPQMTNTH-JTQLQIEISA-N 316.365 -0.445 30 20 DBED C#CCN(C(=O)C(=O)Nc1cccc(S(N)(=O)=O)c1)C1CC1 1117783525 LVHSVNMCJRYCBL-UHFFFAOYSA-N 321.358 -0.103 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)Cn2cccn2)cn1 1121054391 BMKXSTOIRGBYNL-CYBMUJFWSA-N 300.322 -0.261 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H](CO)CNC(=O)COCC1CC1 1121091564 COEBAOAMQARATH-CYBMUJFWSA-N 304.350 -0.309 30 20 DBED N#Cc1cnc(N[C@@H](CO)CNC(=O)CC(N)=O)c(Cl)c1 1121258853 YJTDDATWYUTIOI-MRVPVSSYSA-N 311.729 -0.629 30 20 DBED CC#CCNC1CC2(C1)CC(NC(=O)Cn1ncn(C)c1=O)C2 1121333001 AGBOGIREHUCNCW-UHFFFAOYSA-N 317.393 -0.378 30 20 DBED N#Cc1cncc(N[C@@H](CO)CNC(=O)CC2OCCCO2)n1 1121359109 CYKYQKVTICRPQZ-LLVKDONJSA-N 321.337 -0.610 30 20 DBED Cc1cc(=N[C@H](CO)CNC(=O)C[C@H]2CCOC2)c(C#N)c[nH]1 1121398325 HCNUZCMFUHZPNZ-OCCSQVGLSA-N 318.377 -0.001 30 20 DBED N#Cc1cnc(N[C@H](CO)CNC(=O)[C@@]23COC[C@@H]2C3)cn1 1122761126 OIFCMCJBLMDJEK-CHIMOYNISA-N 303.322 -0.726 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)[C@@H]1COCCO1 1123890888 FRJIVCRCFQORCX-ZDUSSCGKSA-N 311.382 -0.692 30 20 DBED CC[C@@H](C(=O)N(C)C[C@H](O)CNc1cncc(C#N)n1)N(C)C 1124453933 INKAWODOADUFBR-OLZOCXBDSA-N 320.397 -0.080 30 20 DBED COCC(=O)N[C@H](C)C(=O)NCCNCC#Cc1ccccc1 1127967873 RQYLZSFMVFKNID-CQSZACIVSA-N 317.389 -0.105 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@H]1CCc2cncn2C1 1130487439 GPQJBIDSVQSYEP-STQMWFEESA-N 317.393 -0.711 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)[C@@H]1CO[C@H](C)C1 1130505505 XWTQEOJYSNQJJB-OLZOCXBDSA-N 310.398 -0.121 30 20 DBED C#CCOCCC(=O)N1C[C@@H]2C[C@@H]3CN(C[C@H](C)O)C[C@]2(C1)O3 1131227433 OPSXBWPVFOHLIR-LJIGWXMPSA-N 322.405 -0.291 30 20 DBED C#CCCN1CCNC(=O)CCN(C(=O)[C@@H](C)NC(C)=O)CC1 1131325461 GMMCSVKISUQCEP-CYBMUJFWSA-N 322.409 -0.815 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)C(C)(C)COC)CC1 1131372076 YSJDRVYFPUOJMO-UHFFFAOYSA-N 309.410 -0.057 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1c[nH]nc1-c1ccoc1 1131705645 JJMDUNBOBZOSSB-UHFFFAOYSA-N 316.321 -0.371 30 20 DBED O=C(CN1CC(=O)NC1=O)NCCNCC#Cc1ccccc1 1135440772 QBZPKILNLLQTOF-UHFFFAOYSA-N 314.345 -0.704 30 20 DBED COCC#CCNCCNC(=O)c1cn(C[C@@H]2CCOC2)nn1 1136000683 IGGVKEHGYOJVTO-ZDUSSCGKSA-N 321.381 -0.716 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@H](C)N1CCCCC1=O 1152169111 IQELEXSZAVOCIJ-OLZOCXBDSA-N 324.425 -0.216 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)c1nonc1C 1153559742 AYNTWQHFMAGWSV-UHFFFAOYSA-N 308.342 -0.540 30 20 DBED C#CCN(CC)[C@H](C)CNC(=O)c1cn(CC(=O)N(C)C)nn1 1157158736 LKYDEFNVZIBRFC-GFCCVEGCSA-N 320.397 -0.560 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)Cc1ccn(C)n1 1157801608 JJOSZLRRJPPEIX-LBPRGKRZSA-N 305.382 -0.804 30 20 DBED COCC#CCNCCCNC(=O)[C@@H]1CC(=O)N(C(C)C)C1 1159230154 KIAJTGDKJRAQMB-CQSZACIVSA-N 309.410 -0.011 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)c1cncnc1O 1160651283 XJDKJJSDAVPYJQ-JTQLQIEISA-N 307.354 -0.418 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@H]1CC[C@H]2CCCCN21 1160867938 IZYXYKMZYNNOLR-HUUCEWRRSA-N 320.437 -0.151 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NCCCN[C@@H](CC)C(N)=O 1167677900 LAOQEYUFBUMIAQ-STQMWFEESA-N 312.414 -0.183 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCCNCc1nnnn1C 1168094723 BFEAXWTXHYCLOM-AAEUAGOBSA-N 308.386 -0.213 30 20 DBED C[C@H](CCCCNCC(=O)NCC#N)NC(=O)[C@@H]1CCOC1 1169610636 WWNPEJMHTKFQHD-CHWSQXEVSA-N 310.398 -0.073 30 20 DBED CCc1nc[nH]c1C(=O)N1CC[C@H](NCC(=O)NCC#N)[C@@H]1C 1180037471 PJXKHJSEAHEKAZ-JQWIXIFHSA-N 318.381 -0.196 30 20 DBED Cn1[nH]c(CN[C@@H]2CCN(C(=O)C#CC(C)(C)C)C2)nc1=O 1182422826 CGKGIEXTYSJUNV-LLVKDONJSA-N 305.382 -0.152 30 20 DBED C[C@@H]1CN(C(=O)C[C@H]2CC(=O)NC2=O)C[C@@]1(C)CNCC#N 1183676270 FRGLKRHOWGGRAQ-UEKVPHQBSA-N 306.366 -0.363 30 20 DBED CNC(=O)NC(C)(C)C(=O)N1CC[C@@H](NCC#CCOC)C1 1188112368 VMSANPCGVVCGSQ-GFCCVEGCSA-N 310.398 -0.466 30 20 DBED CN(CC(=O)NCC#N)[C@H]1CCN(C(=O)c2cnns2)C1 1189059563 RGPBAKGTECVYNI-VIFPVBQESA-N 308.367 -0.676 30 20 DBED CN(CC(=O)NCC#N)[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 1189389915 MERAOLSZEHROBD-CHWSQXEVSA-N 307.398 -0.747 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)[C@@H](C)NC(=O)CC)C1 1190307351 IKEKTXNXAMBWBZ-CHWSQXEVSA-N 322.409 -0.817 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2cc(C)oc2C)C1 1190937497 XKYGLEJULQEQHP-ZIAGYGMSSA-N 321.377 -0.026 30 20 DBED C=CCOCC(=O)N[C@@H]1CN([C@H](C)c2n[nH]c(CC)n2)C[C@H]1O 1191777800 PMUCCPWKJRSGPH-IJLUTSLNSA-N 323.397 -0.208 30 20 DBED C=CCOCCN(C)[C@@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 1192559379 IBIASBDQJBUJHD-NEPJUHHUSA-N 324.381 -0.680 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CN(CCOC[C@H]2CCCO2)C[C@H]1O 1192828170 ZBQLSZXNMLKODW-BZUAXINKSA-N 322.405 -0.243 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@@H]1CCN(C(=O)c2ncccn2)C1 1193018481 TUESTHCHMJHMCH-CHWSQXEVSA-N 315.377 -0.239 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(CC#CCOC)C[C@H]1O 1193076570 UBNIJXBGTCEBIJ-FPCVCCKLSA-N 322.405 -0.221 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2OCCO[C@H]2C)C1 1193882948 BWBCNCBHEYZJLK-DGAVXFQQSA-N 314.382 -0.846 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H](C)CC(F)F)C1 1194789901 SEZOGKNTYOXPNM-GMTAPVOTSA-N 317.336 -0.812 30 20 DBED CCS(=O)(=O)N[C@H](C)C(=O)N1CCCN(CC#N)CC1 1195915003 ILWLLMPXFPYMTR-LLVKDONJSA-N 302.400 -0.628 30 20 DBED CC[C@@]1(C(=O)N2CCCO[C@H](CNCC#N)C2)CCNC1=O 1200720791 DBZRKRWYBDIJIV-IUODEOHRSA-N 308.382 -0.367 30 20 DBED N#CCNC[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)C2)CCCO1 1200912183 QMQWOMKFUDDFBV-VXGBXAGGSA-N 315.395 -0.848 30 20 DBED Cc1cnn(C)c1C(=O)N1CCC(NCC(=O)NCC#N)CC1 1202045817 HNHYSWSWQACIHF-UHFFFAOYSA-N 318.381 -0.438 30 20 DBED COCC(=O)NCCC(=O)N1C[C@H]2CC[C@H]1[C@@H](NCC#N)C2 1204418984 VKXZXCRTGKLVIF-AVGNSLFASA-N 308.382 -0.368 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)Cc2cncnc2)[C@H](C)C1 1206911394 OAPDYQSWRCDZGV-TZMCWYRMSA-N 317.393 -0.242 30 20 DBED C=CCOCCN1C[C@@H](NC(=O)[C@@H]2CCNC2=O)[C@H](OC)C1 1213256514 HQNQMTCXCNEIEJ-JHJVBQTASA-N 311.382 -0.860 30 20 DBED C=C[C@@](C)(O)CC(=O)N1C[C@@H](NCc2nc(O)n[nH]2)[C@H](C)C1 1214533473 NJFCJKPCAUULSQ-GPCCPHFNSA-N 309.370 -0.226 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)c2nc(C)c[nH]2)C[C@H]1C 1215855409 QMUPJBJCBDHQJV-ZYHUDNBSSA-N 303.366 -0.482 30 20 DBED C#CCCCCC(=O)N1CCO[C@@H]2CN(CC(=O)NC)C[C@@H]21 1217669933 QBGJQFRXNLOKOZ-UONOGXRCSA-N 307.394 -0.162 30 20 DBED COCC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1OCC[C@H]1C 1218650473 AVOAEVDNSWMALZ-QXSJWSMHSA-N 322.405 -0.027 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@@H]1O 1219105127 QWFIEZCMSFQGER-CABCVRRESA-N 316.361 -0.644 30 20 DBED C=CCC[C@@H](C)N1C[C@H](O)[C@H](NC(=O)CN2C(=O)CNC2=O)C1 1220927279 YGCMEJRBTYXAPI-UTUOFQBUSA-N 324.381 -0.946 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)CCNC(=O)CC(C)C)C1 1221179930 UGJJFZBFAHQMLE-KGLIPLIRSA-N 309.410 -0.277 30 20 DBED C#CCO[C@H](C)C(=O)NC1CCN(CC(=O)NCC=C)CC1 1227299151 LWCPXLGSDBCCLK-CYBMUJFWSA-N 307.394 -0.093 30 20 DBED N#CCN1CCC(NC(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)CC1 1228349283 HDRKJQPWAKMITJ-OLZOCXBDSA-N 308.382 -0.096 30 20 DBED C#CCN1CCS(=O)(=O)[C@@H](CCNC(=O)C2(CF)CC2)C1 1230497925 RJPVFKZLOPLEPT-LBPRGKRZSA-N 316.398 -0.025 30 20 DBED C#CCOCCC(=O)N(C)C[C@@H]1CCN1CCn1cncn1 1234246229 KLCUEWGBJDODOB-AWEZNQCLSA-N 305.382 -0.149 30 20 DBED N#Cc1ncccc1S(=O)(=O)NCc1nc2ncccn2n1 1309593746 NUSUEZQMYMEXTG-UHFFFAOYSA-N 315.318 -0.131 30 20 DBED CC(C)[C@@H](C(=O)N[C@H]1C[C@H](NCC(=O)NCC#N)C1)N(C)C 1317091331 QRNCXRBPICAXOL-OBJOEFQTSA-N 309.414 -0.551 30 20 DBED C#CCC[C@@H](O)CNC(=O)COCC(=O)NCc1cccnc1 1322587182 AUAOCQOJVNHYJB-CQSZACIVSA-N 319.361 -0.395 30 20 DBED CCOC1CC(O)(CNC(=O)C(=O)Nc2ccc(C#N)cn2)C1 1324512745 BBSXDOPEIBBJNA-UHFFFAOYSA-N 318.333 -0.062 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCC[C@@H](CNC(C)=O)C1 1324878732 QWJRNRAWTZFSOX-ZDUSSCGKSA-N 309.366 -0.873 30 20 DBED CN1C(=O)CC[C@@H](NC(=O)C(=O)N2CCC[C@](C)(C#N)C2)C1=O 1325953241 OBJWZXCGGYDDQE-MEBBXXQBSA-N 320.349 -0.598 30 20 DBED C[C@@H]1CC(=O)NCCN1C(=O)C(=O)N1CCC[C@@H](CC#N)C1 1328181237 NYUSBCXRZSOSKG-NEPJUHHUSA-N 306.366 -0.124 30 20 DBED C#CC1CCN(C(=O)C(=O)N2CCC[C@H](CC(N)=O)C2)CC1 1329453020 OFJOZROZSWVJNW-CYBMUJFWSA-N 305.378 -0.028 30 20 DBED COCCN1CCC(NC(=O)C(=O)N2CCC[C@H](C#N)C2)CC1 1333102593 DDKRFUUUMHCFSB-CYBMUJFWSA-N 322.409 -0.024 30 20 DBED C[C@H]1C[C@@H]1C(=O)NC1(CCO)CN(C(=O)CSCC#N)C1 1334664437 CVVMEWFRIKOOBD-QWRGUYRKSA-N 311.407 -0.021 30 20 DBED CCCNC(=O)[C@H](C)NC(=O)C(=O)Nc1ccn(CCC#N)n1 1337484321 UAFIDFFJNQFDKD-JTQLQIEISA-N 320.353 -0.234 30 20 DBED Cc1nn(C)cc1[C@H](C)NC(=O)C(=O)N1CCO[C@H](C#N)C1 1345289274 HMJSFVODOBUFDG-GXSJLCMTSA-N 305.338 -0.343 30 20 DBED CO[C@H]1CCN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1 1351766846 BGFGEFVMXAVUEU-STQMWFEESA-N 306.366 -0.568 30 20 DBED CC(C)[C@H](O)C(C)(C)CNC(=O)Cn1cc(C#N)c(O)nc1=O 1362816307 SUQHLKNWVIQYAY-LBPRGKRZSA-N 322.365 -0.020 30 20 DBED C[C@@H]1C[C@H]1N1C[C@@H](Nc2[nH]c(=O)n(C)c(=O)c2C#N)CC1=O 1363744810 WNTJCMYIUHSNRN-KHQFGBGNSA-N 303.322 -0.634 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNCC(=O)N(C)Cc1ccco1 1367582400 OUHCPSAZOFXJOU-VXGBXAGGSA-N 322.365 -0.536 30 20 DBED CNC(=O)NC(=O)CN(C)C[C@H](C)NC(=O)c1cc(C#N)c[nH]1 1367799508 WGEWAMGJOHKDNT-VIFPVBQESA-N 320.353 -0.608 30 20 DBED Cn1nnnc1CNC[C@H](NC(=O)c1cc(C#N)c[nH]1)C1CC1 1367894744 LURLEADVVYRHJG-LBPRGKRZSA-N 314.353 -0.292 30 20 DBED CC(C)CCNC(=O)[C@H](C)N1CC(O)(CNC(=O)[C@H](C)C#N)C1 1368288587 LJVOVJVCPAGIJG-OLZOCXBDSA-N 324.425 -0.140 30 20 DBED CC(=O)NCC(=O)N1CCC(CN(C)C(=O)[C@@H](C)C#N)CC1 1374496784 LBCRPSFZHKBFIQ-NSHDSACASA-N 308.382 -0.021 30 20 DBED CNC(=O)NC(=O)CN1CC[C@H]1CNC(=O)c1cc(C#N)c[nH]1 1375294143 JCRUYQLQADGUJM-JTQLQIEISA-N 318.337 -0.854 30 20 DBED COCC(=O)N(C)CC(=O)N[C@H]1C[C@H](NC(=O)[C@@H](C)C#N)C1 1385937351 AETWEZLMGJBDQN-DCAQKATOSA-N 310.354 -0.986 30 20 DBED CCN(CCNC(=O)[C@H](C)C#N)C(=O)COc1cnn(C)c1 1388409524 VPZULUQVLQFVCB-LLVKDONJSA-N 307.354 -0.077 30 20 DBED C=C(Cl)CNC[C@H](O)CNC(=O)CN(C)C(=O)C1CC1 1392381081 QFBDHZLNRVWOTL-NSHDSACASA-N 303.790 -0.326 30 20 DBED C[C@@H](CNC(=O)c1cccc(C(N)=O)n1)NC(=O)[C@@H](C)C#N 1393046705 NHLJNXSPEGXHHC-IUCAKERBSA-N 303.322 -0.425 30 20 DBED CCN(CCNC(=O)CCCS(N)(=O)=O)C(=O)[C@@H](C)C#N 1398132008 WSGCFHSMDSQBCI-JTQLQIEISA-N 318.399 -0.821 30 20 DBED C=C(Cl)CN[C@H](C)CNC(=O)Cn1nc(C)n(C)c1=O 1399136776 WTDXLYYKJPWEJR-SECBINFHSA-N 301.778 -0.263 30 20 DBED CCOCC(=O)N[C@@H]1CCN(CC(=O)N(CC)CCC#N)C1 1405048200 BLGWTQUSIOQVJY-CYBMUJFWSA-N 310.398 -0.024 30 20 DBED CCN(CCNC(=O)CCN1CCOCC1)C(=O)[C@H](C)C#N 1408768024 LPPCQXLLGCTKHC-CYBMUJFWSA-N 310.398 -0.167 30 20 DBED COC[C@@H](OC)C(=O)N[C@H](C)CNC(=O)c1cc(C#N)c[nH]1 1415140526 ITVFPYHKUZWWME-BXKDBHETSA-N 308.338 -0.218 30 20 DBED C[C@H](C#N)C(=O)NC1CN(C[C@H](O)COC2CCOCC2)C1 1421026704 UJRSJMHGWQXBGV-YPMHNXCESA-N 311.382 -0.497 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CCN(C(=O)CN(C)C(=O)C2CC2)C1 1428868936 GECPFTRNUQUGIA-RYUDHWBXSA-N 320.393 -0.021 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)CCn2cnccc2=O)CC1 1433980688 HOUDLELMJZUSMB-NSHDSACASA-N 317.349 -0.442 30 20 DBED COCC(=O)NC[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCCO1 1445233581 DIUXHXKLCKDHII-LBPRGKRZSA-N 320.349 -0.120 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)CCc2ccnn2C)C1 1452638594 TZTSUZWPLIXFOH-RAIGVLPGSA-N 319.365 -0.800 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1cccc2nc[nH]c12 1458024982 OHGZWGCSGMKJQE-UWVGGRQHSA-N 315.333 -0.071 30 20 DBED N#Cc1ccc(NCC(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)cc1 1470806223 VTUYWTIOKQJHQY-VXGBXAGGSA-N 309.347 -0.756 30 20 DBED CC(C)S(=O)(=O)CC(=O)N(C)C[C@@H](C)NC(=O)[C@@H](C)C#N 1487786549 PVULHRUDKSQEIR-WDEREUQCSA-N 317.411 -0.068 30 20 DBED CCN(CCC#N)C(=O)CN1C[C@@H]2C[C@H]1CN2C(=O)COC 1494638038 PWVZYEFHDBPYOP-STQMWFEESA-N 308.382 -0.320 30 20 DBED C[C@@H](CC(N)=O)C(=O)N1CC[C@H]1CNC(=O)c1cc(C#N)c[nH]1 1505665794 MJILUJMCHHJGIX-ONGXEEELSA-N 317.349 -0.271 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)CCc1ccccn1 1533289515 LCVBHHXUELCGQL-DGCLKSJQSA-N 304.350 -0.233 30 20 DBED C#C[C@@H](CO)NC(=O)c1nnn(C2CCNCC2)c1C(F)F 1574487084 ZIKSMCFHBSOJQH-QMMMGPOBSA-N 313.308 -0.136 30 20 DBED N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)[C@H]1[C@H]2CCNC[C@H]21 1580057451 VTZQDLKGBLIKEH-WCQGTBRESA-N 316.365 -0.088 30 20 DBED C=CCCC(=O)NCCCN=c1cc[nH]c(-c2nn[nH]n2)n1 1588573006 YBLQMULBTJCBLH-UHFFFAOYSA-N 302.342 -0.037 30 20 DBED COC(=O)c1cc(Cn2cnc(C#N)c2-c2nn[nH]n2)on1 1591288716 GFRPYVFXZOPFDA-UHFFFAOYSA-N 300.238 -0.242 30 20 DBED C[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@H]1NCC#N 1591740574 XKBOHOAVLPRMGF-LDYMZIIASA-N 300.326 -0.232 30 20 DBED C#C[C@H]1COCCN1Cc1cnc2c(-c3nn[nH]n3)cnn2c1 1609019698 CDNUAMPXSIRULR-NSHDSACASA-N 310.321 -0.257 30 20 DBED CN1CCN(c2cccc(C(=O)N(CC#N)CC(=O)O)n2)CC1 1610137311 MBWISKARIGNDBA-UHFFFAOYSA-N 317.349 -0.116 30 20 DBED COc1cc(C#N)ccc1OCC(=O)NC[C@@](C)(O)C(=O)O 1610280099 UNGFWPLMDDUPJI-CQSZACIVSA-N 308.290 -0.103 30 20 DBED CN(CCC#N)C[C@@H](O)CNC[C@@H]1COC2(CCOCC2)O1 1645857978 WKYTYCHSDZOWHZ-UONOGXRCSA-N 313.398 -0.296 30 20 DBED C#CCNC(=O)CN1CCC[C@H](NC(=O)C[C@H](C)COC)C1 1731355150 MGDHPZKRBSQICK-KBPBESRZSA-N 309.410 -0.011 30 20 DBED C#CCNC(=O)CNC[C@@H]1CCN(C(=O)c2n[nH]c(C)c2O)C1 1752933508 FQMQUHXTGJRSEV-NSHDSACASA-N 319.365 -0.775 30 20 DBED C#CCNC(=O)CN(CCNC(=O)c1ccc(O)nn1)C1CC1 1753151753 LLJLTCOXNTZGIJ-UHFFFAOYSA-N 317.349 -0.874 30 20 DBED C#CCOCCC(=O)N1CC[C@H](CN(C)Cc2nnn(C)n2)C1 1753349593 RXMKWMVXRNAARE-CYBMUJFWSA-N 320.397 -0.470 30 20 DBED CCN(C(=O)c1cn[nH]c1)[C@H]1CCN(CC(=O)NCC#N)C1 1753451961 PFOODINTCHDFOV-LBPRGKRZSA-N 304.354 -0.414 30 20 DBED CN1CC[C@@H](C(=O)N[C@](C)(CNCC(=O)NCC#N)C2CC2)C1 1753528552 ZCIFPVQEHLSBSR-MLGOLLRUSA-N 321.425 -0.548 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(CCN2CCCC2=O)CCO1 1753649607 YDIIUQXLTCAAQS-OAHLLOKOSA-N 319.405 -0.161 30 20 DBED CC#CCNC[C@@H](C)N(C)C(=O)C[C@@]1(C)CCS(=O)(=O)N1 1753723942 QQMDZFVRRZLXBV-TZMCWYRMSA-N 315.439 -0.082 30 20 DBED C#CCNC(=O)[C@H](C)NCC[C@H](C)NC(=O)c1cnn(CC)n1 1753963229 HMDSXIZVXXUNTR-RYUDHWBXSA-N 320.397 -0.466 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)N(CC)CCN[C@@H]1CCNC1=O 1754070742 NKPHLHXURBUWHH-KGLIPLIRSA-N 324.425 -0.216 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)CNCC(=O)NC(N)=O 1754245062 NVUTZKNKXVJKHB-SCVCMEIPSA-N 312.370 -0.743 30 20 DBED C=CCNC(=O)CNC[C@H](C)NC(=O)c1cncc2nc[nH]c12 1754266898 NRHXUIXMHWLCAX-JTQLQIEISA-N 316.365 -0.032 30 20 DBED C=CCNC(=O)CN1CC[C@H]1CNC(=O)CCn1cccn1 1754473210 ICDZIPPMGYGLJQ-ZDUSSCGKSA-N 305.382 -0.234 30 20 DBED C=C(C)CCN1CC[C@@](O)(CNC(=O)CS(=O)(=O)CC)C1 1754762850 ZCVSDIMKZNMMRL-CQSZACIVSA-N 318.439 -0.060 30 20 DBED C=CCCNCC1(NC(=O)C[C@@H]2NC(=O)NC2=O)CCOCC1 1755095697 RJUTXQPFOKEHIC-NSHDSACASA-N 324.381 -0.584 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@H](C)CNC(=O)C1CN(C(C)=O)C1 1755295959 HJXMBBWDCOSQPU-NEPJUHHUSA-N 322.409 -0.961 30 20 DBED C[C@@H](CNC(=O)C[C@@H]1COC(=O)C1)N(C)CC(=O)NCC#N 1755297641 LKJFLRNBSPWKCU-QWRGUYRKSA-N 310.354 -0.984 30 20 DBED CC(=O)N[C@@H](CC(=O)NC[C@H]1CCCCCN1CC#N)C(N)=O 1755369380 ZFTNEKFWPKQTRO-OLZOCXBDSA-N 323.397 -0.749 30 20 DBED COCC#CCN1CC([C@@H](C)NC(=O)C(=O)NCC2CC2)C1 1755389009 NLOMAMXDZOBVNV-GFCCVEGCSA-N 307.394 -0.401 30 20 DBED CN(C)CCCC(=O)NC[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@H]12 1755427362 DOUQWQOQDXVWHB-ZSOGYDGISA-N 321.425 -0.738 30 20 DBED C#CCOCCC(=O)N1CCO[C@@H]([C@H](C)NCC#CCOC)C1 1755442677 VFDOGARCOXAWMR-JKSUJKDBSA-N 322.405 -0.118 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@H](CNCCN(C)S(C)(=O)=O)C1 1755467485 XZXMAXFRBALDED-SRVKXCTJSA-N 316.427 -0.478 30 20 DBED COCC#CCNC[C@H](C1CC1)N(C)C(=O)C1(C(N)=O)CC1 1755565690 DHRAQWJHDSZTKM-CYBMUJFWSA-N 307.394 -0.272 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2n[nH]c(C)c2O)[C@H]1C 1755650721 QFXGQYMYBNIZKG-WDEREUQCSA-N 319.365 -0.634 30 20 DBED C#CCNC(=O)CN1CCC[C@H](NC(=O)c2cnn(C)c2)[C@H]1C 1755711373 FVTBHQVWMYJHLK-OCCSQVGLSA-N 317.393 -0.248 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)[C@H]2CN(C)C(=O)N2)CC1(C)C 1755760721 SRTMAWWEEXBJSK-CHWSQXEVSA-N 322.409 -0.514 30 20 DBED C[C@@H](C#N)C(=O)NCCOCCN(C)C(=O)c1cc(=O)n(C)o1 1756381955 UWCUCNOHBATLQV-JTQLQIEISA-N 324.337 -0.657 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H](CO)CNC(=O)c1cncs1 1756505739 JGXMYZLUXDDANV-ZJUUUORDSA-N 311.363 -0.612 30 20 DBED C=C1CC(C)(C(=O)N[C@@H](CO)CNC(=O)Cc2n[nH]c(C)n2)C1 1756519505 JHKDBSLVQRZJGE-LLVKDONJSA-N 321.381 -0.395 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H](CO)NC(=O)c1cccn1CC 1756521511 RLPDMUXKVGLRJE-QWHCGFSZSA-N 321.377 -0.247 30 20 DBED CC(C)C#CC(=O)N(C)C[C@H](O)CNC(=O)[C@@H]1CC(=O)N(C)C1 1756663616 WIHKCNAXTWTQEN-CHWSQXEVSA-N 323.393 -0.940 30 20 DBED C#CCCCC(=O)N1C[C@@H](NC(=O)[C@@H]2COC(=O)N2)[C@H](C)C1 1757067479 YAUTVZIUDJADQZ-UTUOFQBUSA-N 307.350 -0.139 30 20 DBED CO[C@@H]1CN(C(=O)CSCC#N)C[C@H]1NC(=O)c1ncc[nH]1 1757126778 KPLBRROLCGBIGW-NXEZZACHSA-N 323.378 -0.378 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@H]2CN(C)C(=O)CC(N)=O)cn1 1757280411 LBJUVADSRBFUIR-ZDUSSCGKSA-N 314.345 -0.389 30 20 DBED C=CCOCC(=O)N1CC[C@@H](NC(=O)c2cn[nH]c2)[C@H](O)C1 1757562036 LONJHJOPOPBMIZ-VXGBXAGGSA-N 308.338 -0.696 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)C1(COC)CC1)CCO2 1783046773 OSPOUHUSHSSRTQ-MRXNPFEDSA-N 306.362 -0.124 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)CN(C)C(C)C)CCO2 1783053391 AQJYEUIHKHJZEV-MRXNPFEDSA-N 307.394 -0.210 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](N)[C@H](C)CC)C2 1800452093 UVNCQRCBYKIBIS-GGUBGCTKSA-N 307.394 -0.417 30 20 DBED N#CCC(=O)NC[C@@H]1CCN(C(=O)C(O)O)[C@@H]1c1cccnc1 1806275873 MFKMMLQCXIIYLW-WCQYABFASA-N 318.333 -0.688 30 20 DBED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)S)CCO2 1840164163 ATJLAVUOSUJTJX-SMDDNHRTSA-N 312.391 -0.606 30 20 DBED C=CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)CC(=O)NC)C1 1841560452 UMVXORIVLIDMGD-GFCCVEGCSA-N 323.393 -0.083 30 20 DBED C=CCNC(=O)COC(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O 28626753 XXJFKEQWYJQMEY-PHIMTYICSA-N 306.318 -0.217 30 20 DBED CCN(C[C@@H](C)C#N)C(=O)CN1CCN(S(C)(=O)=O)CC1 52244370 VJQWEMUPMVBQPY-LBPRGKRZSA-N 316.427 -0.428 30 20 DBED C=CCn1nnnc1SCC(=O)N1CCN(C(C)=O)CC1 64654441 AIAHKYXTQKVJRE-UHFFFAOYSA-N 310.383 -0.358 30 20 DBED N#Cc1cnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)c(Cl)c1 176386319 NKSLXXKBARDYTK-VIFPVBQESA-N 305.725 -0.246 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCCN[C@H]2C)C1=O 262691831 ABEGUOBACXTNLG-VHSXEESVSA-N 308.338 -0.780 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCCOCCOC 284339985 VEVWYBJFOWVJFC-OLZOCXBDSA-N 314.382 -0.137 30 20 DBED CC1(C)CN(CCNC(=O)NCCn2cnc(C#N)n2)CCO1 286951888 HXLYVSXDKIDMBP-UHFFFAOYSA-N 321.385 -0.440 30 20 DBED N#Cc1cncc(S(=O)(=O)NCCN2CCC(O)CC2)c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n1cnc2sccc2c1=O 348783322 IPRUQXSSYDECMU-UHFFFAOYSA-N 320.330 -0.017 30 20 DBED N#Cc1ccc(C(=O)CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)cc1 356184312 IKQXRDHCRVMFJN-QWHCGFSZSA-N 301.302 -0.110 30 20 DBED COC(=O)CN(CC#N)C(=O)CNC(=O)Cc1ccc(O)cc1 361210976 DQBXXBDXJXMSAQ-UHFFFAOYSA-N 319.317 -0.424 30 20 DBED CC(C)[C@@H](C(=O)N1CC(O)(CC#N)C1)N1CCCS1(=O)=O 408384925 JJQFZTHKFBDTKF-NSHDSACASA-N 315.395 -0.467 30 20 DBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1C[C@@H]2CNC[C@@H]2C1 418821316 GGHCJFHVZYXOII-FQUUOJAGSA-N 307.394 -0.238 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CC[C@@H](C(=O)O)C2)nn1 424486075 HHFBYTZSIVMBPB-SECBINFHSA-N 307.310 -0.987 30 20 DBED Cc1ncc(S(=O)(=O)Nc2ncn(C)c2C(N)=O)cc1C#N 427771622 RCFVBOIWPLBIIN-UHFFFAOYSA-N 320.334 -0.105 30 20 DBED C#CCNC(=O)C1CCN(C[C@@H](O)CO[C@H](C)COC)CC1 491106692 YTVBNJSERLRVBK-UKRRQHHQSA-N 312.410 -0.140 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2ccncc2C)CC1 491429757 VQCGDGSJALLICI-UHFFFAOYSA-N 300.362 -0.103 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)Cc2cc(C)on2)CC1 491566808 HUKRSANAFCFJKN-UHFFFAOYSA-N 304.350 -0.581 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2cnccc2C)CC1 491622279 HZSHDMISQYRCGX-UHFFFAOYSA-N 300.362 -0.103 30 20 DBED Cn1c(N[C@@H]2C[C@H]3CCCCN3C2=O)c(C#N)c(=O)n(C)c1=O 519528032 XPYNEAWCKPUYCY-MWLCHTKSSA-N 317.349 -0.479 30 20 DBED C=CCn1c(C)nnc1N1CCCN(C(=O)CNC(C)=O)CC1 528295514 NBFCQILIVLWPRE-UHFFFAOYSA-N 320.397 -0.053 30 20 DBED N#Cc1ccccc1OC[C@H](O)CN1CC[C@H](CO)[C@H](O)C1 528469365 GTXCNLFJYYPZLI-RBSFLKMASA-N 306.362 -0.027 30 20 DBED C[C@@H]1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)C[C@H]1C(=O)O 592457664 RXIQVRWKAIHISX-OUAUKWLOSA-N 317.367 -0.502 30 20 DBED CS(=O)(=O)N1CCCC[C@@H]1C(=O)N1CC[C@@](O)(CC#N)C1 592837902 LCIPYNYVRFKXIS-YPMHNXCESA-N 315.395 -0.322 30 20 DBED N#CCNC(=O)CNC(=O)C(=O)Nc1cccc2c1OCC2 599979439 TWMCDTRWLPEKPN-UHFFFAOYSA-N 302.290 -0.684 30 20 DBED CO[C@H]1CN(S(=O)(=O)N(C)CCC#N)[C@](C)(C(=O)O)C1 600656403 CNCUBUVPQKCZFE-KOLCDFICSA-N 305.356 -0.359 30 20 DBED C[C@@H]1C[C@@H](CN)CN1C(=O)C(=O)N1CCN(CCC#N)CC1 601580208 CDQCZHBJPAQVNK-OLZOCXBDSA-N 307.398 -0.760 30 20 DBED C=C[C@](C)(O)C(=O)NCC1(N2CCOCC2)CCN(C)CC1 616257773 VVHXARAKRLHALD-HNNXBMFYSA-N 311.426 -0.164 30 20 DBED C#CCC[C@@H](O)CNS(=O)(=O)c1cnn(CC(=O)O)c1 717918772 DQKLRCZFTDALIK-SECBINFHSA-N 301.324 -0.980 30 20 DBED C#Cc1ccc(C(=O)OCC(=O)N2CCN(C(C)=O)CC2)nc1 729008896 JPPWEUWOVDFMKS-UHFFFAOYSA-N 315.329 -0.090 30 20 DBED CNC(=O)CNC(=S)NN=C1C(=O)Nc2c(C)cccc21 731928776 IOEGTMMFLNTRIC-UHFFFAOYSA-N 305.363 -0.139 30 20 DBED N#CCNC(=O)COC(=O)COc1cccc(-c2nn[nH]n2)c1 737694896 GKYCRAOXKLUSCM-UHFFFAOYSA-N 316.277 -0.572 30 20 DBED CC#CCCOC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 760273263 GCGNRXGZZIXWOE-UHFFFAOYSA-N 304.306 -0.610 30 20 DBED C[C@H]1[C@@H](C)N(C(=O)C(=O)Nc2cnn(CC#N)c2)CCN1C 785297833 SWTQUCUZCPZJRK-WDEREUQCSA-N 304.354 -0.104 30 20 DBED CS(=O)(=O)CC(=O)N1CCN(c2ccc(C#N)nc2)CC1 801286822 SUWNUMCYQWKPGR-UHFFFAOYSA-N 308.363 -0.354 30 20 DBED N#C[C@]1(F)CCN(C(=O)[C@H](CO)NC(=O)c2cccc(F)n2)C1 845994268 NUQKYLWDUCEFDI-IINYFYTJSA-N 324.287 -0.224 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)C1(n2cnnn2)CC1 849994466 DNIGIQBMFZITBH-MRVPVSSYSA-N 308.298 -0.894 30 20 DBED C=C[C@@H]1OCC[C@H]1NC(=O)N1CCC(C(=O)NCCO)CC1 875642445 PFPPZCUEWTYBRZ-OLZOCXBDSA-N 311.382 -0.140 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H]3NCC[C@@H]32)C1=O 877282256 QBYKEKUGLWCVOT-MNOVXSKESA-N 320.349 -0.684 30 20 DBED C#CCNS(=O)(=O)N1CCN(C[C@@H]2CCO[C@@H]2C)CC1 878314217 LUENLGSKSYSOJT-OLZOCXBDSA-N 301.412 -0.503 30 20 DBED C#CC[C@H](CO)NS(=O)(=O)c1ccccc1Cn1cncn1 882342559 HOEIXVLCEHUZSP-CYBMUJFWSA-N 320.374 -0.011 30 20 DBED Cn1cc(C=NNC(=S)NCCCN2CCOCC2)cn1 917210991 VAYDGNASZDRFDL-UHFFFAOYSA-N 310.427 -0.060 30 20 DBED C[C@H](C#N)C(=O)N1CCC(O)(CN[C@@H]2CCCN(C)C2=O)CC1 946918466 KQDNZFUEKSVSPQ-CHWSQXEVSA-N 322.409 -0.290 30 20 DBED C=CCN1CCC2(CC1)CN(C(=O)CCn1cnnn1)CCO2 949215663 ZWVJASBHOYYQOJ-UHFFFAOYSA-N 320.397 -0.057 30 20 DBED C#Cc1cncc(C(=O)NC[C@@H]2CCN2C(=O)c2cnn[nH]2)c1 952014736 SVZRCGHGIYULIJ-LBPRGKRZSA-N 310.317 -0.175 30 20 DBED CC#CCN1C[C@H](CNC(=O)c2cnn3c2CCC3)[C@@H](O)C1 958120909 BRTOIQHENDAZTC-WFASDCNBSA-N 302.378 -0.125 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2ncn(C(C)(C)C)n2)C1 958400425 UQURWBWSRQBRSO-VXGBXAGGSA-N 305.382 -0.311 30 20 DBED N#CCN1C[C@H](CNC(=O)c2cnc(C3CC3)nc2O)[C@@H](O)C1 958467946 PLBIFTDGGWERLU-JQWIXIFHSA-N 317.349 -0.394 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2CN(CC#CC)C[C@H]2O)nn1 958472847 ZCBMAHRLTVUKFT-TZMCWYRMSA-N 303.366 -0.490 30 20 DBED C[C@H](NC(=O)c1ccc(C#N)[nH]1)[C@@H]1CCN(C(=O)CC(N)=O)C1 959090381 AVQSRZPGGZWBEZ-VHSXEESVSA-N 317.349 -0.271 30 20 DBED N#CCN1C[C@H]2C(NC(=O)[C@@H]3CCc4nnc(O)n4C3)[C@@H]2C1 960659351 UTPYDONLNCBTRL-OPRDCNLKSA-N 302.338 -0.884 30 20 DBED N#Cc1c[nH]c(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@H]3CCCO3)C2)c1 961387602 JUSAFDWSTXUSBI-FRRDWIJNSA-N 318.333 -0.633 30 20 DBED C=CCn1cc(C(=O)NC2[C@@H]3CN([C@@H](C)C(=O)NC)C[C@@H]23)nn1 961996178 XIZVFOQAPVUNCO-HBNTYKKESA-N 318.381 -0.741 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2COCCN2C(=O)COC)cn1 964288453 VFNMYEROWYOILU-CQSZACIVSA-N 317.345 -0.334 30 20 DBED N#Cc1cc(C(=O)N2C[C@H](O)[C@H](NC(=O)c3cc[nH]c3)C2)c[nH]1 965933783 GZRPWHNUJJRENZ-OLZOCXBDSA-N 313.317 -0.170 30 20 DBED C[C@@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)[C@@H]1CCNC1=O)C2 969812222 VSBFANXBHANFCW-FIQHERPVSA-N 304.350 -0.516 30 20 DBED C=CCOc1cccnc1C(=O)N[C@@H]1CN(C(C)=O)C[C@@H]1O 970791760 KIXVKQOPBZGIAW-NEPJUHHUSA-N 305.334 -0.032 30 20 DBED CC#CCN1CCO[C@]2(CCN(C(=O)[C@@H]3CCN(C)C3=O)C2)C1 972506576 LMUCGDLTAZRPOH-RHSMWYFYSA-N 319.405 -0.209 30 20 DBED Cc1nc(O)[nH]c1C(=O)N[C@H]1[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]21 976680129 HRGHNFNRWMYNCS-CNABLZDZSA-N 303.322 -0.230 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)c3cncnc3O)[C@H]2C1 976715009 LYHNAVKTKWUKJL-CPOMMVLXSA-N 301.306 -0.472 30 20 DBED C#CCN1C[C@@]2(C)CN(C(=O)Cn3ncn(C)c3=O)C[C@@]2(C)C1 982320673 GGHIHTTZHXDKCZ-IYBDPMFKSA-N 317.393 -0.615 30 20 DBED C=CCN[C@H]1C[C@@H](C)N(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 989567711 FVBBOGIMBMNTMD-MNOVXSKESA-N 316.365 -0.164 30 20 DBED N#Cc1cc(C(=O)NC2CN(C(=O)CN3CCCC3=O)C2)c[nH]1 990921656 YINKMFQWWRMQHN-UHFFFAOYSA-N 315.333 -0.551 30 20 DBED C#CCN1CC[C@]2(NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)CCC[C@@H]12 992176032 WBFCZXDEWVXCIH-VPWBDBDCSA-N 305.378 -0.234 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1CNC(=O)[C@@H]1COC(=O)N1 993962092 ZZIMURGSGXDXHY-RTXFEEFZSA-N 319.361 -0.281 30 20 DBED O=C(NC1CN(C(=O)C#CC2CC2)C1)[C@H]1CCCc2nn[nH]c21 998567653 KRRUTVWIUAFCPY-LBPRGKRZSA-N 313.361 -0.035 30 20 DBED C=CCn1cccc1C(=O)N1CC(NC(=O)[C@H]2C[C@H]2C(N)=O)C1 999915028 CVLFBJRDZTWLCI-NEPJUHHUSA-N 316.361 -0.264 30 20 DBED N#CCN[C@H]1CCCN(C(=O)Cn2nc3n(c2=O)CCCC3)C1 1000637102 KQVJZSPWBXYLGM-LBPRGKRZSA-N 318.381 -0.515 30 20 DBED N#CCN1CCC(NC(=O)[C@H]2CN3CC4CC3(CO2)C4)CC1 1003332438 MDWZFQMFLMQGHS-CXOJTPOUSA-N 304.394 -0.046 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CCCN([C@@H]3CCNC3=O)C2)[nH]1 1007143543 NGAPWQNYVZADND-DGCLKSJQSA-N 301.350 -0.031 30 20 DBED C=CCCn1cc(C(=O)N[C@@H]2CCCN([C@@H](C)C(N)=O)C2)nn1 1008812620 AKIVCAUKQPNNRD-NWDGAFQWSA-N 320.397 -0.078 30 20 DBED C#Cc1cncc(C(=O)N2CCN(C(=O)CC(N)=O)CC2)c1 1010791140 JYPFOEKKDFMBHK-UHFFFAOYSA-N 300.318 -0.777 30 20 DBED C[C@H](C(=O)NC1[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]12)n1cncn1 1012977608 NMLGEFIFPHLSEZ-RAIGVLPGSA-N 313.361 -0.175 30 20 DBED O=C(C#CC1CC1)N1CC2(CCN(C(=O)Cc3nc[nH]n3)C2)C1 1019011534 NUWIQCIFXSAGGE-UHFFFAOYSA-N 313.361 -0.179 30 20 DBED C[C@@H]1CN(C(=O)C(N)=O)CC[C@@H]1CNC(=O)c1ccc(C#N)[nH]1 1020796408 BLLMGJZTRWFFNM-NXEZZACHSA-N 317.349 -0.414 30 20 DBED C=CCN1CC[C@H](N[C@H]2C[C@H](NC(=O)Cn3cncn3)C2)C1=O 1021021425 QUPSIXQINFOUJH-AVGNSLFASA-N 318.381 -0.698 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CCN(C(=O)CCn3cncn3)[C@@H]2C1 1021096843 KVBTWAUARNJPSK-RWMBFGLXSA-N 316.365 -0.113 30 20 DBED C=CCN1CC[C@@H](N[C@H]2C[C@H](NC(=O)Cn3ccnc3)C2)C1=O 1021126574 RWZOOHIFFPOCIO-MGPQQGTHSA-N 317.393 -0.093 30 20 DBED C=C1CC(C)(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn(C)nn3)C2)C1 1023589776 VERMBJBUWZVAOG-ZYHUDNBSSA-N 319.365 -0.527 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)c3cnn(C)c3)C2)C1=O 1030093046 MISIOIQJWRBJDF-ZDUSSCGKSA-N 303.366 -0.379 30 20 DBED C=CCn1cccc1C(=O)NC1CN(Cc2nnnn2C)C1 1030446826 STFALNQWVDSJPP-UHFFFAOYSA-N 301.354 -0.188 30 20 DBED C=CCn1cc(C(=O)NC2CN(CC(=O)N3CCCC3)C2)nn1 1031069675 VIWIJDBKGAHPIT-UHFFFAOYSA-N 318.381 -0.500 30 20 DBED C=CCN1CCO[C@H](CNC(=O)c2cnc(O)n(C)c2=O)C1 1035466926 KNYHZSPCVPUXBS-SNVBAGLBSA-N 308.338 -0.898 30 20 DBED C#CCCN1CCO[C@H](CNC(=O)[C@@H]2CCCC(=O)N2C)C1 1035596162 OYWWWIHHKDWPEM-KGLIPLIRSA-N 307.394 -0.162 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)C2CCN(C(C)=O)CC2)C1 1035600903 TVJDRGJWTFELNS-HNNXBMFYSA-N 307.394 -0.305 30 20 DBED C=CCN[C@@H]1CCN(C(=O)CN2CCN(C)C(=O)C2)C[C@H]1C 1036083597 YYUYCOQRSZSCFQ-ZIAGYGMSSA-N 308.426 -0.227 30 20 DBED CC(C)[C@@H](O)C(=O)N1CC[C@](O)(CNC(=O)C#CC2CC2)C1 1039681008 RQYKQVSFLHVAQB-ZBFHGGJFSA-N 308.378 -0.504 30 20 DBED CO[C@@H](C(=O)N1CC[C@](O)(CNC(=O)C#CC2CC2)C1)C1CC1 1039681080 SZPLFVACCZYIKF-WBVHZDCISA-N 320.389 -0.096 30 20 DBED COCC1(C(=O)NC[C@]2(O)CCN(C(=O)C#CC3CC3)C2)CC1 1040294416 AEOOWOBFAYSXHP-QGZVFWFLSA-N 320.389 -0.094 30 20 DBED N#Cc1cnccc1N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCO2)C1 1040898023 HADCFSQKAUTCAF-BNOWGMLFSA-N 302.334 -0.202 30 20 DBED Cc1cc(C(=O)N[C@@H]2CN(c3cnc(C#N)cn3)C[C@H]2O)no1 1040898085 HSHLYQRUZFSZHZ-VXGBXAGGSA-N 314.305 -0.376 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCOC3)C2)nn1 1040939531 UCNXITFPTYPTEH-YUSALJHKSA-N 303.322 -0.950 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)c2cnc(C)cn2)C1 1041280577 RUILDLYBGRUZHX-UHFFFAOYSA-N 320.349 -0.709 30 20 DBED Cc1cc(C(=O)N2CC(O)(CNC(=O)CSCC#N)C2)n[nH]1 1041569197 QWGFXXFREHXONE-UHFFFAOYSA-N 323.378 -0.722 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)[C@H]2C[C@H]3C=C[C@H]2O3)C1 1041963728 YMNQQTQRJTZHCR-FRRDWIJNSA-N 306.362 -0.014 30 20 DBED C#CCNC(=O)CC(=O)NCC1(O)CN(C(=O)[C@H](C)CCC)C1 1042672198 JFVOSSCJDRWKIS-GFCCVEGCSA-N 323.393 -0.748 30 20 DBED CCO[C@H]1C[C@H]1C(=O)N1CC(O)(CNC(=O)C#CC(C)C)C1 1042936371 FMCMPPPLGKQPST-OLZOCXBDSA-N 308.378 -0.240 30 20 DBED Cc1nnc(CC(=O)N2CC(O)(CNC(=O)C#CC(C)C)C2)o1 1042936923 UZXZLPPEVLWWRR-UHFFFAOYSA-N 320.349 -0.731 30 20 DBED C=C(Br)CN1CC(N(C)C(=O)[C@@H]2CNC(=O)N2)C1 1043703227 BJXGDXRIRLRQJH-VIFPVBQESA-N 317.187 -0.281 30 20 DBED CN(C(=O)[C@@H]1CNC(=O)N1)C1CN(Cc2ccc(C#N)s2)C1 1043711361 STRJTYNVSYIDLK-LBPRGKRZSA-N 319.390 -0.056 30 20 DBED C=CCN1CC[C@H](NC[C@@H]2CCCN2C(=O)c2cnn[nH]2)C1=O 1045104068 FXBQURRGCOIGBM-RYUDHWBXSA-N 318.381 -0.214 30 20 DBED C=C[C@](C)(CC)C(=O)NCC1(O)CN(C(=O)CNC(C)=O)C1 1045777092 DJIHAARIIWMSNE-CQSZACIVSA-N 311.382 -0.586 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2noc3c2COCC3)C1 1047634568 LFGDQIMLFALXIC-STQMWFEESA-N 319.361 -0.112 30 20 DBED C=CCOCC(=O)N(C)[C@H]1CN(C(=O)c2cn(C)cn2)C[C@@H]1O 1048554861 JDXVZGKAQRYIEC-STQMWFEESA-N 322.365 -0.734 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)c1cnc(O)n(C)c1=O)C2 1050614066 LWFMULBPBKHUKZ-UHFFFAOYSA-N 316.361 -0.343 30 20 DBED C#CCCN1CCOC[C@H]1CNC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1051044307 OGRIUQGPQWPMKQ-XUWVNRHRSA-N 322.405 -0.122 30 20 DBED CN(C)CCn1cc(C(=O)NC[C@H]2COCCN2CC#N)cn1 1051159549 MEVZDOGAGBLBJV-AWEZNQCLSA-N 320.397 -0.601 30 20 DBED C=CCOCC(=O)N[C@@H](C)[C@H]1CCN(C(=O)Cc2nc[nH]n2)C1 1051643751 JHZZJKSQHXEDPQ-RYUDHWBXSA-N 321.381 -0.097 30 20 DBED C#CCN1CCN([C@H]2CCN(C(=O)[C@H]3CCCNC3=O)C2)CC1 1052037991 WOCSUSZKWNXHJX-GJZGRUSLSA-N 318.421 -0.636 30 20 DBED CC#CCN1CCN([C@@H]2CCN(C(=O)[C@@H]3CCC(=O)N3)C2)CC1 1052109284 AFRXTTADRXKWHX-CABCVRRESA-N 318.421 -0.493 30 20 DBED C=CCN1CCC[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)CC1 1052427682 BJLMVPBANPOHKN-CYBMUJFWSA-N 320.393 -0.296 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)c3cc(C(N)=O)c[nH]3)CO2)C1 1053968461 PCSSBKCIISWHRW-JTQLQIEISA-N 303.322 -0.790 30 20 DBED CC(=O)N1CCN(c2ccc(C#N)nn2)[C@H]2CS(=O)(=O)C[C@H]21 1054765832 BQDMOHICOBBUOG-NEPJUHHUSA-N 321.362 -0.818 30 20 DBED CC(C)C#CC(=O)N1C[C@H]2CN(C(=O)Cn3nccn3)C[C@H]2C1 1055328600 PSYUIKHOTSFOJN-OKILXGFUSA-N 315.377 -0.146 30 20 DBED C#CCOCCC(=O)N1C[C@H]2CN(C(=O)c3cnn[nH]3)C[C@H]2C1 1055337560 RTWXLPTVULFPCQ-TXEJJXNPSA-N 317.349 -0.625 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)CCCC(N)=O)C[C@@H]2C1 1055388042 BIKZSLPAKPGSQK-SDDRHHMPSA-N 306.366 -0.282 30 20 DBED CC#CCCCC(=O)NCCN1CCC(NC(=O)C(N)=O)CC1 1055618431 IYTBBZRGOHHVIN-UHFFFAOYSA-N 322.409 -0.638 30 20 DBED N#Cc1nccnc1N1CCN(C(=O)[C@@H]2CCNC(=O)C2)CC1 1055753040 JVXDMPXHQSBQOK-LLVKDONJSA-N 314.349 -0.477 30 20 DBED N#Cc1nc(=N[C@@H]2CCN(C(=O)C[C@H]3COC(=O)C3)C2)cc[nH]1 1056608058 VUONVFGHUULXNT-GHMZBOCLSA-N 315.333 -0.264 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCN(CCO)C(=O)C(F)F 1056752179 LLIOKSKFMIBWAV-NSHDSACASA-N 317.336 -0.714 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)[C@@H]1CCCNC1=O 1057172685 NLYYLQRIAZYQNO-GFCCVEGCSA-N 311.382 -0.584 30 20 DBED Cc1nocc1C(=O)NCCN(CCO)C(=O)C#CC1CC1 1057535230 NBLXQLXSBGJYQQ-UHFFFAOYSA-N 305.334 -0.053 30 20 DBED Cc1c[nH]c(C(=O)N(CCO)CCNC(=O)C#CC2CC2)n1 1057706894 AKUIIPVGNCYYIW-UHFFFAOYSA-N 304.350 -0.318 30 20 DBED Cc1ncn(C)c1C(=O)N(CCO)CCNC(=O)C#CC1CC1 1057882277 JGCKJZIHXISTBZ-UHFFFAOYSA-N 318.377 -0.307 30 20 DBED N#Cc1cncc(N2CC[C@H](NC(=O)[C@H]3CCC(=O)N3)C2)n1 1058312989 BZXTZGHUMRALHE-GXSJLCMTSA-N 300.322 -0.678 30 20 DBED CN1C[C@H](C(=O)N[C@@H]2CCN(c3ccc(C#N)nc3)C2)NC1=O 1058504191 JEMLLAFZROKXNR-DGCLKSJQSA-N 314.349 -0.328 30 20 DBED CN(C)CCCC(=O)N(CCO)CCNC(=O)C#CC1CC1 1058610695 ORTZHFDUTGAFMS-UHFFFAOYSA-N 309.410 -0.321 30 20 DBED COC(=O)[C@H]1C[C@H]1C(=O)N[C@H]1C[C@H](N=c2cc[nH]c(C#N)n2)C1 1059165015 OGGVSKHBXDGCSK-DBIOUOCHSA-N 315.333 -0.362 30 20 DBED Cc1cc(=N[C@H]2C[C@H](NC(=O)[C@@H]3CCNC3=O)C2)c(C#N)c[nH]1 1059364703 FRKXWQWODIZEAX-JHJVBQTASA-N 313.361 -0.121 30 20 DBED N#Cc1cnc(N2CC[C@H]3[C@H](CCCN3C(=O)C(N)=O)C2)cn1 1059540119 KTXQKPJUJQCSIR-PWSUYJOCSA-N 314.349 -0.349 30 20 DBED C=CCOCC(=O)N1CCOC[C@@H]1CNC(=O)c1cn[nH]c1 1061331957 PPNIIPLBDKQYDY-LBPRGKRZSA-N 308.338 -0.431 30 20 DBED CCOCC(=O)N1CCOC[C@H]1CNC(=O)c1c[nH]c(C#N)c1 1061515371 KWNDCMXDHHROIG-CYBMUJFWSA-N 320.349 -0.120 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCOC[C@@H]1CNC(=O)c1cnco1 1061731173 XYLYMRWWYFDDSJ-XHDPSFHLSA-N 323.349 -0.041 30 20 DBED C[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1C#N)n1cncn1 1062477072 FHUQLJDCFZKGOL-SRVKXCTJSA-N 324.348 -0.010 30 20 DBED N#CCSCC(=O)NCC1(NC(=O)Cn2cnnn2)CCC1 1062578518 USBWKGKGYVGIFS-UHFFFAOYSA-N 323.382 -0.915 30 20 DBED CC(C)C#CC(=O)N1CCO[C@@H](CNC(=O)c2nc[nH]n2)C1 1065128757 IZXQHYZPZOZJJS-NSHDSACASA-N 305.338 -0.579 30 20 DBED O=C(Cc1ccon1)NC[C@H]1CN(C(=O)C#CC2CC2)CCO1 1065135036 QVEQGGRFLLBDCR-AWEZNQCLSA-N 317.345 -0.026 30 20 DBED N#Cc1nccc(N2[C@H]3CC[C@H]2CN(C(=O)C(N)=O)CC3)n1 1065162873 GKSFLOWSVRDNJT-UWVGGRQHSA-N 300.322 -0.597 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@H]1CN(C(=O)c2cnn[nH]2)CCO1 1065326692 QSOBPERBKDGANX-YGRLFVJLSA-N 323.353 -0.911 30 20 DBED Cn1nncc1C(=O)N1C[C@@H]2CN(c3nccnc3C#N)C[C@@H]2C1 1065997782 OYINOYATYMKMIR-PHIMTYICSA-N 324.348 -0.315 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCCN(C)C(=O)[C@@H]1CC(=O)N(C)C1 1067616537 CUTZWXVYUBHQFY-NWDGAFQWSA-N 308.382 -0.069 30 20 DBED C=CCOCC(=O)N1CCOC2(C1)CN(C(=O)COCC=C)C2 1068355563 RIIKRXKCNFXJJF-UHFFFAOYSA-N 324.377 -0.169 30 20 DBED C=CCCN1CCn2ncc(CNC(=O)[C@@H]3CNC(=O)N3)c2C1 1069872242 FCTSHYJIMKVUIF-LBPRGKRZSA-N 318.381 -0.428 30 20 DBED C#CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2cnn[nH]2)C1 1069968380 WYWOBEGENRAADL-NEPJUHHUSA-N 300.326 -0.925 30 20 DBED C=CCN[C@@H]1CN(C(=O)c2nnn(C)c2C)C[C@@H]1n1ccnn1 1070164440 DNNLJFUZHKCSFH-NEPJUHHUSA-N 316.369 -0.444 30 20 DBED C#CCN1CCOC[C@H]1c1n[nH]c(CNC(=O)c2ccon2)n1 1070582037 RUVSDRSHCXUDQZ-NSHDSACASA-N 316.321 -0.271 30 20 DBED C=CCCN1C[C@@H]2OC(=O)N([C@H]3CCN(C(=O)C(N)=O)C3)[C@@H]2C1 1070919682 QLMFTTDTZLBYFO-TUAOUCFPSA-N 322.365 -0.846 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)c2ccnn2CC)CC1 1070957838 ZGZMQNJRMONLHH-UHFFFAOYSA-N 317.393 -0.200 30 20 DBED C[C@@H]1CCO[C@@H]1C(=O)N1CCC(=O)NCCN(CC#N)CC1 1071001045 BXRFEEFHDNSBIX-OCCSQVGLSA-N 308.382 -0.415 30 20 DBED C=CCCN1CCNC(=O)CCN(C(=O)c2cnn(C)n2)CC1 1071008236 OPBQHUKZZYOCDO-UHFFFAOYSA-N 320.397 -0.345 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)c2ccn(C)n2)CC1 1071020799 VXFRZFSIEIYYHF-UHFFFAOYSA-N 305.382 -0.130 30 20 DBED CC(=O)NCC(=O)N[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1C 1071875606 WTPBWSZFNWTFEY-ZANVPECISA-N 317.349 -0.401 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H](C)[C@@H](NC(=O)C2(CF)CC2)C1 1071942510 HZPAZAKKINMAHP-RYUDHWBXSA-N 323.368 -0.161 30 20 DBED C#CCOCCC(=O)N1C[C@H](C)[C@H](NC(=O)c2cnn(C)n2)C1 1072096813 FDNLMJBXVKRDNX-WCQYABFASA-N 319.365 -0.568 30 20 DBED C#CCNC(=O)CC(=O)N1CCC(C)(NC(=O)COCC)CC1 1072961906 ADFBXUTWIXQNSN-UHFFFAOYSA-N 323.393 -0.340 30 20 DBED CC#CCN1CCC2(C1)CN(C(=O)Cn1c(O)nnc1O)C2 1073152354 AXVYRSUTDZJJCY-UHFFFAOYSA-N 305.338 -0.753 30 20 DBED C#CCCN1CCCO[C@H](CNC(=O)C2CC(=O)NC(=O)C2)C1 1073819055 WVKIVRALLCLORA-CYBMUJFWSA-N 321.377 -0.730 30 20 DBED C=CCCC(=O)N1CC[C@H](NC(=O)Cn2ncnn2)[C@H](C)C1 1073976782 GOQLJIJNGAEHCP-NEPJUHHUSA-N 306.370 -0.008 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)CCn3ccnn3)C[C@H]21 1074225360 DXEDNLIKFGFKJY-KGLIPLIRSA-N 303.366 -0.397 30 20 DBED N#CCN1CCO[C@H]2CCN(C(=O)CN3CCCCC3=O)C[C@@H]21 1074284741 RLLGNJZQOWHJSU-KBPBESRZSA-N 320.393 -0.176 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCN(C(=O)CC(N)=O)[C@@H](C)C1 1074990338 FBOOQXPIODJEFN-NWDGAFQWSA-N 309.366 -0.603 30 20 DBED C[C@@H](CCNC(=O)CSCC#N)NC(=O)c1cnnn1C 1075676052 ZCQJAEMGWZHBAE-VIFPVBQESA-N 310.383 -0.304 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)c1cscn1 1075907593 NMWVHXSSKDCNAT-JTQLQIEISA-N 322.390 -0.093 30 20 DBED Cn1nccc1CN1C[C@@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 1076855874 QZPWDLPURIDOOF-ZIAGYGMSSA-N 314.349 -0.405 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCN(C(=O)CC)C2)C1 1077047579 LKEACJWKXHRMQO-RRFJBIMHSA-N 321.421 -0.180 30 20 DBED Cc1ncc2n1CC[C@H](C(=O)N[C@@H]1CN(CC#N)C[C@H]1O)C2 1077670647 BXUVIWYJWMBJIE-IACUBPJLSA-N 303.366 -0.561 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CN(C[C@@H](CC)OC)C[C@H]2O)nn1 1077801119 DEEODZVVZNSTLJ-YRGRVCCFSA-N 323.397 -0.336 30 20 DBED C#CCN[C@H]1C[C@H](NC(=O)CN2C(=O)CNC2=O)C12CCC2 1078804594 XFAGQKDDUXIOEM-QWRGUYRKSA-N 304.350 -0.812 30 20 DBED C#CCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)CNC(C)=O)C1 1079769346 JXKAXMOIBQTBIL-NSHDSACASA-N 309.366 -0.780 30 20 DBED CCN(C(=O)[C@]1(C)CNC(=O)C1)C1CN(C(=O)C#CC2CC2)C1 1080121523 FZVJOMMNFXJYRU-KRWDZBQOSA-N 317.389 -0.015 30 20 DBED COCCC(=O)NC[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1O 1081149961 PCIOIQUCRGWESQ-DGCLKSJQSA-N 320.349 -0.528 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)CCc2cnn[nH]2)C[C@@H]1O 1081338807 WLRNNGDWPMROAM-AAEUAGOBSA-N 321.381 -0.361 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cnn[nH]2)C1 1081590274 PDVSOTDJXWSEEF-PWSUYJOCSA-N 305.338 -0.843 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](NCC(=O)N2CCOCC2)[C@H](C)C1 1082451228 UFWRWYYMRGHINE-JHJVBQTASA-N 308.382 -0.559 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cn(C)c(=O)cn1 1083148996 RXIZTEDJKHQMGO-UONOGXRCSA-N 316.361 -0.671 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)[C@H](C)N2C(=O)CCC2=O)C1 1083502041 QWKBLMMURKZDTG-TUAOUCFPSA-N 309.366 -0.739 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(Cc2n[nH]c(C)n2)C[C@@H]1O 1083790256 YACVUIYLHUPHES-NDBYEHHHSA-N 321.381 -0.634 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)Cc2c(C)nc(C)nc2O)C1 1084050200 NHDGBNQITASRHT-OLZOCXBDSA-N 306.366 -0.311 30 20 DBED C#CCN[C@H]1C[C@H](CNC(=O)c2cc(=O)n3[nH]cnc3n2)C1 1086533145 YYNMSMRUAGWJDC-MGCOHNPYSA-N 300.322 -0.851 30 20 DBED CC#CCN1CC[C@@H]2CN(C(=O)[C@H]3CN(C)C(=O)N3)C[C@@H]2C1 1088066452 LCQMLRVHQKWVHS-HZSPNIEDSA-N 304.394 -0.186 30 20 DBED C[C@@H](C[C@@H](C)N=c1cc[nH]c(C#N)n1)NC(=O)Cn1nccn1 1089393035 GOONABUQERCLIW-MNOVXSKESA-N 314.353 -0.243 30 20 DBED Cc1cc(C#N)nc(NCC2(CCNC(=O)C(N)=O)CC2)n1 1089985205 KJESDDWQUJFFRI-UHFFFAOYSA-N 302.338 -0.160 30 20 DBED C[C@H]1[C@@H](Nc2nccnc2C#N)CCN1C(=O)CCNC(N)=O 1090217451 IGGJDDPCIWDGDK-UWVGGRQHSA-N 317.353 -0.192 30 20 DBED COCc1cc(N2C[C@@H](O)[C@H](NC(=O)C#CC(C)C)C2)ncn1 1090411359 UQKZQZSSWJRIHC-ZIAGYGMSSA-N 318.377 -0.052 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1O 1090495813 ZRMHECGSADGTAW-VXGBXAGGSA-N 315.333 -0.946 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2ccc(C(N)=O)nc2)[C@H](O)C1 1090852223 OQJPAQVVOABSTH-GXTWGEPZSA-N 316.361 -0.631 30 20 DBED C#CCOCCC(=O)N[C@H]1CCN(c2ccnc(C)n2)C[C@@H]1O 1092160941 BCMRPYYMWKPJGY-KBPBESRZSA-N 318.377 -0.119 30 20 DBED N#Cc1ccc(N2C[C@H]3C(NC(=O)C4(C(N)=O)CC4)[C@@H]3C2)nc1 1093355294 FFFCXPLTNGLIEX-GHMZBOCLSA-N 311.345 -0.230 30 20 DBED N#Cc1c[nH]ccc1=NCCNC(=O)COC[C@@H]1CCOC1 1093867318 SUVHRAOQWBKUEL-GFCCVEGCSA-N 304.350 -0.044 30 20 DBED CCNC(=O)NC(C)(C)C(=O)NCCNc1ccc(C#N)nn1 1093869335 LJBJGOCJSWADCO-UHFFFAOYSA-N 319.369 -0.026 30 20 DBED CN1CC[C@H](C(=O)NCCN=c2cc[nH]c(C#N)n2)CC1=O 1094239540 TWAUMYCYRABCHD-JTQLQIEISA-N 302.338 -0.833 30 20 DBED Cc1nc(C(=O)N[C@@H]2CC(=O)N(C3CN(CC#N)C3)C2)cs1 1094774711 PHHVQEWFMNRMHJ-SNVBAGLBSA-N 319.390 -0.010 30 20 DBED CN(c1nccnc1C#N)[C@@H]1CCN(C(=O)CCNC(N)=O)C1 1095117073 LTJFBLKQHJCPBR-SNVBAGLBSA-N 317.353 -0.556 30 20 DBED N#Cc1ccc(N[C@@H]2CCCN(C(=O)CCNC(N)=O)C2)nn1 1095295659 GNDWZYYQQGFROD-LLVKDONJSA-N 317.353 -0.190 30 20 DBED C=CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cn(C)c(=O)n(C)c1=O 1096097883 OUDPETDZPYSITK-WXHSDQCUSA-N 318.377 -0.395 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCN(c2ncncc2Cl)C1 1096361038 WBGXVIFRSXUJKB-SNVBAGLBSA-N 321.768 -0.036 30 20 DBED N#Cc1nccc(N2CC[C@H](NC(=O)C(=O)NCC3CC3)C2)n1 1096417521 NOGYHQJDORICGW-NSHDSACASA-N 314.349 -0.431 30 20 DBED CC(C)(C(N)=O)C(=O)N[C@H]1C[C@H](Nc2cncc(C#N)n2)C1 1097075272 LPLQYZHZJCLNGO-KYZUINATSA-N 302.338 -0.081 30 20 DBED N#Cc1ccc(N2CCCC[C@@H]2CNC(=O)CC(N)=O)nn1 1097401684 PPOLYYRMMCOXPW-LLVKDONJSA-N 302.338 -0.301 30 20 DBED C[C@@H](CNC(=O)C[C@H]1CCNC1=O)Nc1ccc(C#N)nn1 1098097710 KZCOBRQHXWJQIA-VHSXEESVSA-N 302.338 -0.209 30 20 DBED C#CCN(CCO)C1CCN(C(=O)CO[C@H]2CCOC2)CC1 1098368374 DBWIRHZBBHJGHO-HNNXBMFYSA-N 310.394 -0.290 30 20 DBED C=C(C)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H]1CCS(=O)(=O)N1 1098426749 YEZXWBQSEUDSLU-XQHKEYJVSA-N 313.423 -0.024 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CCC[C@H](N=c2cc[nH]c(C#N)n2)C1 1098618333 ZHJJIVLOBIBFBV-WDEREUQCSA-N 316.365 -0.254 30 20 DBED C=CCN1CCC2(CC1)CN(C(=O)[C@@H]1CNC(=O)N1)C[C@@H](C)O2 1098631141 QBYZWRZPUQLPSD-OLZOCXBDSA-N 322.409 -0.064 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)Nc1cncc(C#N)n1 1098982815 BDMKZBPVCXQCKZ-NSHDSACASA-N 314.349 -0.206 30 20 DBED C[C@@H](CCNC(=O)c1cnn(C)c1N)N=c1cc[nH]c(C#N)n1 1099105180 STNJWIBOITXPML-VIFPVBQESA-N 314.353 -0.294 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)c2ccncc2)[C@@H](O)C1 1099620092 JBLKQJZTHYLSNG-KGLIPLIRSA-N 318.377 -0.451 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)CNC(=O)CC)[C@H](O)C1 1099740716 IPAWJAAUYYSSIV-QWHCGFSZSA-N 313.398 -0.733 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCN(Cc2ccn(C)n2)C[C@@H]1O 1099832088 APMHKIAUHVFSON-CABCVRRESA-N 320.393 -0.489 30 20 DBED CC(C)CS(=O)(=O)CC(=O)N[C@@H]1CCN(CC#N)C[C@H]1O 1099894819 QNNRCSNLYYDPRN-VXGBXAGGSA-N 317.411 -0.868 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)CCn2ncn(C)c2=O)[C@H](O)C1 1099936049 YSAHPMGJGAYAFW-QWHCGFSZSA-N 323.397 -0.901 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)C(C)(C)C2CC2)[C@H](O)C1 1099952687 XFKJXNNOURWJAE-UONOGXRCSA-N 321.421 -0.277 30 20 DBED CCc1nc(C#N)cc(N(C)CCNC(=O)CC(=O)NC)n1 1100067116 YUYJFWFNXHHFDU-UHFFFAOYSA-N 304.354 -0.401 30 20 DBED C=CCN1CC[C@H](NC(=O)CS(=O)(=O)CCC)[C@H](O)C1 1100117168 DAGGXPBFBBAHDR-NWDGAFQWSA-N 304.412 -0.451 30 20 DBED CN(CCNC(=O)[C@]1(C)CNC(=O)C1)c1nccnc1C#N 1100246629 INMBNMLJCUVTII-AWEZNQCLSA-N 302.338 -0.573 30 20 DBED C[C@@H]1CCCN1CC(=O)NCC1CC(NCC(=O)NCC#N)C1 1100673870 CNDFZHIBUCDUAG-IYXRBSQSSA-N 321.425 -0.405 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)[C@H](CC)N(C)C)C1 1100683444 BLNRACLELIHDMB-RUXDESIVSA-N 308.426 -0.440 30 20 DBED CCN(CCNC(=O)[C@H]1CCC(=O)N1C)c1cncc(C#N)n1 1100690274 VCXUGSIEQWFFKT-GFCCVEGCSA-N 316.365 -0.088 30 20 DBED C#CCNC1CC(CNC(=O)C[C@@]2(C)CCS(=O)(=O)N2)C1 1100919598 DPJPDDIJRFUQLO-ORHYLEIMSA-N 313.423 -0.424 30 20 DBED CNC(=O)NCC(=O)NC[C@@H]1CCN(c2ccc(C#N)cn2)C1 1101066133 NHZOTCFEHMTERU-LBPRGKRZSA-N 316.365 -0.175 30 20 DBED CCCN(CCNC(=O)CNC(N)=O)c1nc(C)cc(C#N)n1 1101083530 HVVHFXPUOGTBBV-UHFFFAOYSA-N 319.369 -0.342 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H]2C[C@H]1CN2c1nccc(C)n1 1102546518 FAGMKOGLDUZPKV-STQMWFEESA-N 313.361 -0.286 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)Cc2ccc[nH]2)C1 1102589724 CISUCDVBUPSQON-ZIAGYGMSSA-N 316.405 -0.009 30 20 DBED N#Cc1cncc(N2CCCC[C@@H](NC(=O)CNC(N)=O)C2)n1 1102839831 FVWIJHSSINFQPX-SNVBAGLBSA-N 317.353 -0.508 30 20 DBED C[C@@H](CNC(=O)CC(=O)N(C)C)CNc1ccc(C#N)nn1 1104229226 FLQIHQBJSDRPHV-SNVBAGLBSA-N 304.354 -0.009 30 20 DBED C[C@H](CNc1ccc(C#N)nn1)N(C)C(=O)[C@H]1CNC(=O)N1 1104785134 NXFJGJSCKBYRJC-PSASIEDQSA-N 303.326 -0.712 30 20 DBED C=CCCCC(=O)N1CC(n2cc(CN[C@H](C)C(N)=O)nn2)C1 1105317384 WBNVTSPEODDHRG-LLVKDONJSA-N 320.397 -0.019 30 20 DBED C=CCNCc1cn(C2CN(C(=O)Cn3cncn3)C2)nn1 1105371137 HCEUEOKZWIISLE-UHFFFAOYSA-N 302.342 -0.771 30 20 DBED N#Cc1cnc(NC[C@H](O)CNC(=O)c2cnns2)cn1 1105723047 GFDSIOKHSSGBIJ-QMMMGPOBSA-N 305.323 -0.597 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H](O)CNC(=O)c1cccc(O)n1 1105775901 LNWZULMWIOWHDF-NSHDSACASA-N 313.317 -0.321 30 20 DBED CCn1cnc(C(=O)NC[C@H](O)CNc2cncc(C#N)n2)c1 1105916605 QJACTABIMVQUAI-LLVKDONJSA-N 315.337 -0.233 30 20 DBED C=CCNC(=O)CNC[C@@H]1CN(C(=O)CC(=O)NC)C[C@H]1C 1106044269 KLMYDOZHPJJWEG-VXGBXAGGSA-N 310.398 -0.891 30 20 DBED CCC(=O)N[C@@H](C)C(=O)NC[C@@H](O)CNc1ccc(C#N)cn1 1106140280 IEFHYVMMNWHLIC-JQWIXIFHSA-N 319.365 -0.243 30 20 DBED CCc1n[nH]cc1C(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1 1106163050 KTHRCIGFAZRUGL-SECBINFHSA-N 315.337 -0.742 30 20 DBED C#CCNC[C@@H]1CN(C(=O)c2cn(C)c(=O)nc2O)C[C@H]1C 1106979227 FEADGWUUMYNHEW-GHMZBOCLSA-N 304.350 -0.583 30 20 DBED CNC(=O)C1(C(=O)NC/C=C\CNc2nccnc2C#N)CC1 1107253193 XVLRNXRFTMHFQM-IHWYPQMZSA-N 314.349 -0.041 30 20 DBED N#Cc1cnc(NC/C=C/CNC(=O)[C@@H]2CCC(=O)NC2)cn1 1107592681 KPCBSLZZXVPFHP-FMBMQGQPSA-N 314.349 -0.041 30 20 DBED C[C@H](CNc1cncc(C#N)n1)NC(=O)C[C@H]1CC(=O)NC1=O 1107826273 YQHGQYVQHIJKBY-BDAKNGLRSA-N 316.321 -0.682 30 20 DBED C=CCOCC(=O)N1CCN(CC=C)[C@H]2CS(=O)(=O)C[C@H]21 1108465704 VOEAAIIWFSBZRZ-QWHCGFSZSA-N 314.407 -0.315 30 20 DBED C[C@H](O)CN1CC(N2C[C@@H](NC(=O)C#CC3CC3)CC2=O)C1 1108545299 RUNJMFQEDFWFFI-AAEUAGOBSA-N 305.378 -0.818 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)COCCN(C)C)CC2=O)C1 1108587246 JRZXBBSWAPTNID-CYBMUJFWSA-N 324.425 -0.848 30 20 DBED C[C@@H](CNc1cncc(C#N)n1)NC(=O)[C@@H]1CCN(C)C1=O 1108647575 XAOQXUGWUYSYIH-ONGXEEELSA-N 302.338 -0.257 30 20 DBED COCC#CCN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1nnn(C)n1)C2 1108740001 CNWYDUXTQJFVDP-XQQFMLRXSA-N 318.381 -0.557 30 20 DBED C[C@H](CN(C)c1ccnc(C#N)n1)NC(=O)[C@H]1COC(=O)N1 1108926990 OHYWWUAGFCWGKF-RKDXNWHRSA-N 304.310 -0.602 30 20 DBED C[C@H](CN(C)c1cnc(C#N)cn1)NC(=O)C[C@H]1CCC(=O)N1 1109007386 QYQULHTZBIYSER-GHMZBOCLSA-N 316.365 -0.042 30 20 DBED C[C@@H](CN(C)c1cnc(C#N)cn1)NC(=O)[C@H]1CCCC(=O)N1 1109131174 CTZVPEWBQWBDKI-CMPLNLGQSA-N 316.365 -0.042 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H](CC)N(C)C 1109732921 BNGAWSNYKQMKHX-QPSCCSFWSA-N 320.437 -0.203 30 20 DBED N#Cc1ccc(NC2(CNC(=O)CNC(=O)C3CC3)CC2)nn1 1110061983 XUXAKBJXHJGEJM-UHFFFAOYSA-N 314.349 -0.065 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@]1(O)CCN(c2ccnc(C)n2)C1 1111097820 HAVCAYQHPXZYEJ-LRDDRELGSA-N 318.377 -0.119 30 20 DBED CC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CS(=O)(=O)N(C)C 1111334197 OSBQYGLDIUTFIG-UPJWGTAASA-N 313.423 -0.377 30 20 DBED Cn1cc(C(=O)N(CCO)CCNc2ccc(C#N)nc2)nn1 1111460820 PACLXLPEZSSQKZ-UHFFFAOYSA-N 315.337 -0.372 30 20 DBED COCC(=O)NC1(CN=c2cc[nH]c(C#N)n2)CCOCC1 1112234982 FQCKHSCZCAOSNE-UHFFFAOYSA-N 305.338 -0.506 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)COCC2CC2)CC1 1112642912 MZAAKEJQCOAUIN-CYBMUJFWSA-N 307.394 -0.305 30 20 DBED C[C@H]1C[C@@H](C(=O)N2CCN(CC(=O)NCC#N)CC2)CCN1C 1113258041 WDMJIVZQTGJMGY-KBPBESRZSA-N 321.425 -0.499 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)[C@H]2CC[C@@H](C)O2)CC1 1113363255 QKCHPPUVIUGXLS-MGPQQGTHSA-N 307.394 -0.164 30 20 DBED C[C@@H](CNC(=O)C1(C(N)=O)CC1)N(C)c1ccnc(C#N)n1 1113845342 CYYJFIUHQXIXNR-VIFPVBQESA-N 302.338 -0.445 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)c3ncoc3C)[C@H]2C1 1113952527 FPTACIXNZSPBNK-PQFRYHKHSA-N 316.361 -0.219 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3cnc(C)s3)[C@H]2C1 1113983481 OTWFPPSJWWKHGD-YABSGUDNSA-N 318.402 -0.139 30 20 DBED Cc1cc(C#N)nc(N2CC[C@@H](C)[C@H](NC(=O)CC(N)=O)C2)n1 1114009410 ZUADCTIYGGATTH-BXKDBHETSA-N 316.365 -0.137 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)COCC=C)[C@@H]2C1 1114051103 OSDYOVIWVRSTQU-YNEHKIRRSA-N 305.378 -0.627 30 20 DBED C=CCOCC(=O)N[C@H]1[C@@H]2CN(CC(=O)N3CCCC3)C[C@@H]21 1114051236 QYPJYPDCJRVQPH-VIKVFOODSA-N 307.394 -0.142 30 20 DBED Cc1cc(CC(=O)N[C@H]2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]32)no1 1114074909 SLMAUJHVCNPOFL-JYAVWHMHSA-N 317.349 -0.788 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)c3cccnc3C)[C@@H]2C1 1114743928 SSEJBFZQFRSGPX-ZIAGYGMSSA-N 312.373 -0.201 30 20 DBED C[C@@H](CCCN=c1cc[nH]c(C#N)n1)NC(=O)[C@H]1CNC(=O)N1 1115061647 AQZGRCPYQPLEIR-VHSXEESVSA-N 317.353 -0.852 30 20 DBED C[C@H](CN(C)C(=O)[C@@H]1CN(C)CCO1)Nc1nccnc1C#N 1115664251 MCDHATAAMHOHKE-YPMHNXCESA-N 318.381 -0.062 30 20 DBED C#CCNC(=O)COC(=O)Cc1ccc(S(=O)(=O)NC)cc1 1116597130 GTTBYBWFBKBLGB-UHFFFAOYSA-N 324.358 -0.570 30 20 DBED N#C[C@]1(F)CCN(C(=O)C(=O)N2CC[C@@H](N3CC=CC3)C2)C1 1117906483 BDYPKPMEBGWGAI-IUODEOHRSA-N 306.341 -0.077 30 20 DBED Cc1cc(=N[C@H](CO)CNC(=O)Cc2ccon2)c(C#N)c[nH]1 1121257079 GPPGXYVGAVJCOB-ZDUSSCGKSA-N 315.333 -0.197 30 20 DBED N#Cc1nc(=N[C@@H](CO)CNC(=O)CC[C@@H]2CCOC2)cc[nH]1 1121417547 FAEZUNKGMQAKHZ-VXGBXAGGSA-N 319.365 -0.524 30 20 DBED CNC(=O)NCCC(=O)NC[C@H](CO)Nc1ccc(C#N)cn1 1121439717 RHVPZBQJIBMMAM-LLVKDONJSA-N 320.353 -0.839 30 20 DBED C#CCNCC(=O)NCc1cccnc1N1CCN(C)CC1 1122009220 IAWNBKKALYBWFJ-UHFFFAOYSA-N 301.394 -0.328 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H](CO)Nc1nc(C)ns1 1122771319 ZVAUVFADPSICPR-NEPJUHHUSA-N 323.422 -0.167 30 20 DBED C=C(C)CN(CC)C(=O)CNCCNC(=O)COCCOC 1124919962 ABNINMMSJNJMKU-UHFFFAOYSA-N 315.414 -0.220 30 20 DBED CC(=O)N(C)CC(=O)N(C)C1CC(N=c2cc[nH]c(C#N)n2)C1 1126887634 ORSOHOHZDUVMRG-UHFFFAOYSA-N 316.365 -0.350 30 20 DBED CC#CCNCc1nnc2n1CC[C@H](NC(=O)COC)CC2 1127904611 RDBOPAPIRUNEQU-GFCCVEGCSA-N 305.382 -0.142 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)c2cnn3c2CCC3)C1=O 1128927265 KOTDFLXTUSKIIS-ZDUSSCGKSA-N 317.393 -0.064 30 20 DBED CCn1nc(C(=O)NCCNCC(=O)NCC#N)cc1C1CC1 1129103455 DVLNGBINDHRWMW-UHFFFAOYSA-N 318.381 -0.260 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@H]1CCc2ncncc2C1 1129208351 RHSBMNVFVLNAOC-LBPRGKRZSA-N 315.377 -0.963 30 20 DBED C=C(C)CN[C@@H]1CN(C(=O)CNC(C)=O)C[C@@H]1n1ccnn1 1129536704 GCIAQYMYKBENHT-OLZOCXBDSA-N 306.370 -0.668 30 20 DBED C#CCN[C@@H]1CN(C(=O)COCCOCC)C[C@@H]1n1ccnn1 1130139518 BFDDPYLJSHWYGN-KGLIPLIRSA-N 321.381 -0.694 30 20 DBED C=C(C)CN1C[C@@H](OC)C[C@H]1c1n[nH]c(CNC(=O)C(N)=O)n1 1130265085 XRUJSGWOEVLNBC-UWVGGRQHSA-N 322.369 -0.756 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1coc(OCC)n1 1130848176 QKQJXINAEDMTFS-JTQLQIEISA-N 308.338 -0.469 30 20 DBED CNC(=O)CN[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1c1cncn1C 1130940586 DIHJZFJPXZFSEA-IJLUTSLNSA-N 318.381 -0.790 30 20 DBED C=CCCCN1C[C@H]2C[C@H]3CN(C(=O)CNC(N)=O)C[C@@]3(C1)O2 1131177033 BNPCENQTWYABER-WOSRLPQWSA-N 322.409 -0.077 30 20 DBED C#CCNC(=O)CN1C[C@H](NC(=O)c2cn(C)cn2)CC[C@H]1C 1131955721 PSZYWLNDSMPSCZ-CHWSQXEVSA-N 317.393 -0.248 30 20 DBED C[C@@H]1CC[C@@H](NC(=O)CCNS(C)(=O)=O)CN1CC#N 1132078247 KTAGBEHVPUHGCF-GHMZBOCLSA-N 302.400 -0.582 30 20 DBED C#CCNC(=O)CN1C[C@H](NC(=O)Cc2nc[nH]n2)CC[C@@H]1C 1132414455 QKIKFKLTXFWMOE-NWDGAFQWSA-N 318.381 -0.934 30 20 DBED COCC(=O)N(C)CC(=O)N1CC[C@H](C)[C@H](CNCC#N)C1 1132874728 MAMRPSBKSRSFQD-QWHCGFSZSA-N 310.398 -0.311 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)c1c[nH]c(C#N)c1)NCC(=O)NC(N)=O 1134138328 GIWWUBRBROULSL-DTWKUNHWSA-N 320.353 -0.432 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)C[C@@H]2CCC(=O)N2)C1=O 1135218585 JWWNQPUOWSWBIK-NWDGAFQWSA-N 308.382 -0.852 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1cc2ncccn2n1 1135582882 ZTYQAOQARCSECO-UHFFFAOYSA-N 302.338 -0.649 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@H](C)Cc1cnn(C)c1 1136012533 PWMXVMPEAYBQKX-OLZOCXBDSA-N 319.409 -0.558 30 20 DBED N#Cc1ccc(F)cc1CNCCCNC(=O)CNC(N)=O 1154457850 PSBVKDPUYZLEOM-UHFFFAOYSA-N 307.329 -0.038 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)[C@@H]2COCCN2C)C1=O 1156799621 XLAJMLQZWCEJDA-KBPBESRZSA-N 324.425 -0.800 30 20 DBED C#CCNC(=O)CC(=O)NCCCNCC(=O)N(CC)CC 1156857164 GETZNJCBMWEUKS-UHFFFAOYSA-N 310.398 -0.910 30 20 DBED CCN(CCC#N)C(=O)CNCCCNC(=O)c1cnnn1C 1157350642 ZVFAIPNEKFEFLF-UHFFFAOYSA-N 321.385 -0.713 30 20 DBED CC(C)[C@@H](O)C(=O)NCCC1=CCN(CC(=O)NCC#N)CC1 1160062771 YPKZRGFPXMQFQU-OAHLLOKOSA-N 322.409 -0.219 30 20 DBED C#CCCNCC1(CCNC(=O)Cn2ncn(C)c2=O)CC1 1165877854 ARONWKCWRYZNRA-UHFFFAOYSA-N 305.382 -0.519 30 20 DBED C#CCNC(=O)CNCC1(CCNC(=O)CC(=O)N(C)C)CC1 1167408342 CEFOHSSEDLMTCK-UHFFFAOYSA-N 322.409 -0.910 30 20 DBED N#CCNC(=O)CNCC1(CCNC(=O)c2cccnn2)CC1 1167511621 QXJCQDUDQIJOPJ-UHFFFAOYSA-N 316.365 -0.394 30 20 DBED C=CCNC(=O)CN1CCO[C@H]2CCN(C(=O)C(F)F)C[C@@H]21 1176870375 FMRLRNPPVHKFNX-QWRGUYRKSA-N 317.336 -0.145 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)c2ncc[nH]2)[C@H]1C 1178645289 JAFWVEWXOBQKPY-WOPDTQHZSA-N 303.366 -0.260 30 20 DBED C#CCNCCCCCCNC(=O)CN1CCN(C)C(=O)C1 1178886948 BCGRHUDWXRDCQC-UHFFFAOYSA-N 308.426 -0.340 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)Cn2cccn2)C1 1180959347 WAZUETIAYSQIMX-CHWSQXEVSA-N 303.366 -0.789 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)C(C)(C)NC(C)=O)C1 1186404664 ORKOCAXWFSEYEF-WCQYABFASA-N 322.409 -0.771 30 20 DBED C=CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3cncnc3)[C@@H]2C1 1187645697 FBOUDDHSQYZQOY-GXTWGEPZSA-N 315.377 -0.075 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC2(F)F)C1 1192677333 XGKUBDRXZCDPOU-OPRDCNLKSA-N 303.309 -0.895 30 20 DBED C=CCCCN1C[C@@H](O)[C@H](NC(=O)CCNC(=O)COC)C1 1193507430 WTSCJHGXHVHTIK-CHWSQXEVSA-N 313.398 -0.733 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCCN(C(=O)c2cnns2)CC1 1194999582 KJGCZYQZZGDXHX-LLVKDONJSA-N 321.406 -0.176 30 20 DBED C=CCCCC(=O)N[C@@H]1CN(CCN2C(=O)CCC2=O)C[C@H]1O 1195726576 YTKIFZPIESOQDA-CHWSQXEVSA-N 323.393 -0.347 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)C2(C(C)C)CC2)C1 1196076185 YIWUWLPEAHZHOP-BFHYXJOUSA-N 321.421 -0.278 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C(C2CC2)C2CC2)C1 1197637677 WNGPMWDNKQFRAP-ZIAGYGMSSA-N 321.421 -0.114 30 20 DBED C#CCNC[C@@H]1CN(C(=O)[C@@H]2CCCN(C(N)=O)C2)CCCO1 1200911252 LWZGYSGJROCVLX-ZIAGYGMSSA-N 322.409 -0.383 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)[C@@H]2CCC(=O)NC2)CC1 1201399643 KDNDMDPJKKKVFM-GFCCVEGCSA-N 322.409 -0.605 30 20 DBED C=CCNC(=O)CN[C@H]1C[C@H](NC(=O)CC(=O)NC)C12CCC2 1202806569 VYLVFDOPTKEOSK-RYUDHWBXSA-N 322.409 -0.558 30 20 DBED C#CCCNCC1CCN(C(=O)CN2CCOCC2=O)CC1 1205472712 KUUOEYBXJFMIFC-UHFFFAOYSA-N 307.394 -0.303 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)[C@@H](C)CC(N)=O)CC1 1205873460 RUYBJNSVZQNECK-LBPRGKRZSA-N 322.409 -0.925 30 20 DBED C=CCn1cc(C(=O)N2CCC(CN[C@@H](C)C(N)=O)CC2)nn1 1206516606 ZFYAOEFKVZFQLA-NSHDSACASA-N 320.397 -0.220 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@H]2CCC(=O)N2)C1 1207676480 WVNWRNBPWYKLLH-VXGBXAGGSA-N 308.382 -0.852 30 20 DBED COCC#CCN[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(C)C2)C1 1208263717 ATTOONINSYJBJS-KBPBESRZSA-N 307.394 -0.305 30 20 DBED C#CCCN1C[C@@H](NC(=O)COCc2ncnn2C)[C@H](C)C1 1209928539 IVSPKENUGYVSRO-CHWSQXEVSA-N 305.382 -0.209 30 20 DBED CC(C)[C@H](NS(C)(=O)=O)C(=O)N1CCC[C@H](NCC#N)C1 1210017716 DULSRLAUMYSZHX-RYUDHWBXSA-N 316.427 -0.336 30 20 DBED C#CCCN[C@@H]1CCCN(C(=O)c2cc(=O)n3[nH]cnc3n2)C1 1210661779 NVBKWZYZESAHBP-LLVKDONJSA-N 314.349 -0.365 30 20 DBED COCC[C@@H](C)C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1211162756 CCQMPQGARGDBPW-JHJVBQTASA-N 310.398 -0.265 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2cn(C)nn2)C[C@H]1OC 1212262655 UTLOPBHAXWYMAU-ZIAGYGMSSA-N 321.381 -0.830 30 20 DBED C=CCN[C@@H]1CN(C(=O)CN(C)S(=O)(=O)CC)C[C@H]1C 1216153962 XYBOXPWYUWGNDE-VXGBXAGGSA-N 303.428 -0.110 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)COCCC)C1 1219318478 SVOLPVYWZPSUNH-XQQFMLRXSA-N 313.398 -0.735 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(Cc2nocc2C)C[C@@H]1O 1219535786 FUDCDZMNLWMPHF-VNHYZAJKSA-N 309.366 -0.029 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)CN(C)S(=O)(=O)CC)C1 1220656747 OOCRLYGUGXSWTE-NEPJUHHUSA-N 319.427 -0.995 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(CCC[C@H](C)O)C[C@@H]2O)cn1 1220793007 MFJYQPOJNOODLD-MAZHCROVSA-N 317.389 -0.001 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)CNC(=O)c2ccc(F)cc2)C1 1220904699 YUUDVLOOYGVSLE-OLZOCXBDSA-N 320.324 -0.760 30 20 DBED COCC#CCN1CC[C@@H]2CN(C(=O)[C@H](C)NC(N)=O)[C@@H]2C1 1221508309 PRHTXBQWESMZFE-YNEHKIRRSA-N 308.382 -0.774 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)CC(C)(C)O)[C@@H]2C1 1221513003 YSENTEBIOFTZER-CHWSQXEVSA-N 307.394 -0.571 30 20 DBED C=C[C@@](C)(O)CC(=O)N1C[C@H]2CCN(CC(=O)NCC)C[C@H]21 1221517581 DOMOWAIGBCTNQP-XJKCOSOUSA-N 309.410 -0.018 30 20 DBED Cn1cnnc1COCC(=O)N1C[C@H]2CCN(CC#N)C[C@H]21 1221905716 HLBMFBANECGQTP-VXGBXAGGSA-N 304.354 -0.612 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)c2cn[nH]c2)CC1 1222439847 GSIHJYDVUVZCKO-UHFFFAOYSA-N 303.366 -0.399 30 20 DBED C=C[C@](C)(O)CC(=O)NC1CCN(Cc2nnnn2C)CC1 1227113561 DWAAXAOSXQCRHT-AWEZNQCLSA-N 308.386 -0.382 30 20 DBED C=CCN1CC[C@H](N(C)CCCNC(=O)CNC(C)=O)C1=O 1231278618 MEIGSAIHRRCEJS-ZDUSSCGKSA-N 310.398 -0.653 30 20 DBED Cc1cc(C(=O)N(C)C[C@@H]2CCN2CC(=O)NCC#N)cnn1 1233864775 DAPLGYLXGICFGW-ZDUSSCGKSA-N 316.365 -0.429 30 20 DBED CNC(=O)[C@]1(C)CCN(C(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)C1 1261449921 NPZGBAPGASQDOE-FIXISWKDSA-N 306.366 -0.221 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N=c1nc[nH]n1C(C)C 1261828422 JYQXLLZLSMHOPY-NSHDSACASA-N 307.354 -0.236 30 20 DBED C=C[C@H](COC)NC(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1 1320322822 UNNSVXRLFOBPPQ-VHSXEESVSA-N 316.383 -0.596 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N[C@@H]1CCS(=O)(=O)C1 1320860935 JSOORPBVAASNPI-SECBINFHSA-N 310.397 -0.927 30 20 DBED C#CCCCCNC(=O)C(=O)N1CCC(OCC(N)=O)CC1 1322906344 CYHRSYZPWXDAHM-UHFFFAOYSA-N 309.366 -0.601 30 20 DBED O=C(Cn1ncc2ccccc2c1=O)N[C@H]1CCCN(O)C1=O 1324617804 CXORYRKWAMHNFR-LBPRGKRZSA-N 316.317 -0.107 30 20 DBED N#CCC1(CNC(=O)C(=O)N2CCN3CCOC[C@@H]3C2)CC1 1324829818 LELFGDVILVDUOO-LBPRGKRZSA-N 306.366 -0.661 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCC[C@H](n2ccnc2)C1 1324878632 MNWAIKIYDKAXNX-ZDUSSCGKSA-N 304.350 -0.187 30 20 DBED C=C(CC)CNC(=O)C(=O)N1CCN(CC(=O)N(C)C)CC1 1325660087 UFECPWKUDCUFDS-UHFFFAOYSA-N 310.398 -0.699 30 20 DBED CC#CCCNC(=O)C(=O)Nc1ncn(CC(=O)OCC)n1 1326219078 PGVBRGZLNLMCPK-UHFFFAOYSA-N 307.310 -0.691 30 20 DBED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NCc1cn(C)nn1 1326603500 MCCPJTFHCRTJCX-CMPLNLGQSA-N 307.354 -0.471 30 20 DBED C[C@H]1CCNC(=O)[C@@H]1NC(=O)C(=O)Nc1cccc(C#N)n1 1326820260 KVRHAULHNFVTAM-GZMMTYOYSA-N 301.306 -0.467 30 20 DBED N#C[C@]1(F)CCN(C(=O)C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)C1 1329041316 KIEVTFIQZXMTPJ-YMTOWFKASA-N 308.313 -0.670 30 20 DBED C#CCCOC(=O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 1331572016 OIMLCPJKFPOQKR-UHFFFAOYSA-N 312.351 -0.124 30 20 DBED CN(C[C@H](O)C1CC1)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1332255196 QQSPRJZWMCYFAC-FWJVZWRSSA-N 322.365 -0.075 30 20 DBED C#CCN(CC1CC1)C(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1OC 1333805338 YDKDBWCCXXWIGX-NEPJUHHUSA-N 300.380 -0.147 30 20 DBED C=CCOCCn1nnnc1N1CC[C@@H]2NC(=O)CC[C@H]2C1 1334239379 RRFLANJAKCZDGN-RYUDHWBXSA-N 306.370 -0.019 30 20 DBED C=C[C@@H](COC)NC(=O)[C@H](CO)NC(=O)c1cccc(F)n1 1349565250 ZUIUSAURBHRDQE-ONGXEEELSA-N 311.313 -0.371 30 20 DBED C=CCn1cc(C(=O)NCCCN2C(=O)NC(C)(C)C2=O)nn1 1355135640 NIBGQTCBJAHLRS-UHFFFAOYSA-N 320.353 -0.086 30 20 DBED N#Cc1cn(CCC(=O)NC[C@H]2CC[C@@H](O)C2)c(=O)nc1O 1362500351 YLXNPTANAMEKDP-GXSJLCMTSA-N 306.322 -0.512 30 20 DBED N#Cc1cn(CCNC(=O)[C@@H](F)C(F)(F)F)c(=O)nc1O 1363130575 YUJPSXJWIOHTQF-ZCFIWIBFSA-N 308.191 -0.163 30 20 DBED COCC[C@H](C)CNC(=O)NCCn1cc(C#N)c(O)nc1=O 1365647163 ODQKKBMLSIABJP-JTQLQIEISA-N 323.353 -0.208 30 20 DBED CN(CCC#N)S(=O)(=O)NC[C@H](CO)Cc1cnn(C)c1 1365718247 RDPMFVYQQADCHV-GFCCVEGCSA-N 315.399 -0.749 30 20 DBED C[C@@H](CNC(=O)c1ccc(C#N)[nH]1)NC(=O)[C@@H]1CCC(=O)N1C 1372854041 QQXSGZAYGGGNKJ-CABZTGNLSA-N 317.349 -0.258 30 20 DBED C[C@@H](C#N)C(=O)NCC1CN(CC(=O)NC(=O)NC2CC2)C1 1373500873 BIXVWEDYIUJMTB-VIFPVBQESA-N 307.354 -0.818 30 20 DBED Cc1nccn1CC(=O)NC[C@@]1(O)CCN(C(=O)[C@H](C)C#N)C1 1380144759 TWYFNZLEKBEFNX-ABAIWWIYSA-N 319.365 -0.569 30 20 DBED COc1ccc(CN2CC(O)(CNC(=O)[C@H](C)C#N)C2)nn1 1393300304 FPHZWGJMKCODOY-SNVBAGLBSA-N 305.338 -0.692 30 20 DBED CCCNC(=O)CNC[C@H](O)CN(C)C(=O)c1cc(C#N)c[nH]1 1394731805 BIZMIMQDRGXEBW-LBPRGKRZSA-N 321.381 -0.565 30 20 DBED C=C(Cl)CNC[C@@H](O)CN(C)C(=O)c1cc(C(N)=O)c[nH]1 1394753405 DJNQWMVOQICGBN-SNVBAGLBSA-N 314.773 -0.111 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@@H](CNC(=O)CS(C)(=O)=O)C1 1406559006 SVOBAFCGJMIXQN-LPEHRKFASA-N 301.368 -0.798 30 20 DBED CCN(CCC#N)C(=O)CN[C@H]1CCN(C(=O)[C@H](O)C(C)C)C1 1418327434 HFWNUOMOIFCWDL-DZGCQCFKSA-N 324.425 -0.044 30 20 DBED C=C(Cl)CN1CC[C@H]1CNC(=O)Cn1ccc(O)nc1=O 1423116124 XPHKCOKSRBTZFJ-JTQLQIEISA-N 312.757 -0.108 30 20 DBED CC(=O)N(C)CC(=O)N1C[C@H]2CCN(C(=O)[C@H](C)C#N)C[C@H]2C1 1429207032 YMFNUFRGGJSDLT-BNOWGMLFSA-N 320.393 -0.069 30 20 DBED Cc1nn[nH]c1C(=O)NCCN(C)C(=O)c1c[nH]c(C#N)c1 1431413017 LMZQYXMVSAKPEA-UHFFFAOYSA-N 301.310 -0.185 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1cccc2[nH]ncc12 1452404249 PIUDMBYUWSEGME-VHSXEESVSA-N 315.333 -0.071 30 20 DBED C#CCNC(=O)CN(C)C[C@@H](C)NC(=O)[C@@H](C(C)C)N(C)C 1483380075 CXHKGTINBJLZPO-UKRRQHHQSA-N 310.442 -0.242 30 20 DBED C=C(Cl)CN1CC(O)(CNC(=O)[C@H](C)S(C)(=O)=O)C1 1484280163 QXWJYSPJOGMRET-VIFPVBQESA-N 310.803 -0.665 30 20 DBED COCCN(CCNC(=O)[C@H](C)C#N)C(=O)Cc1cnn(C)c1 1488543391 UXAMSKIZCFZJDZ-GFCCVEGCSA-N 321.381 -0.287 30 20 DBED C=CCn1c(N2CCCNC(=O)C2)nnc1[C@@]1(C)CNC(=O)C1 1520259562 FHEUFZUZFKLKHI-OAHLLOKOSA-N 318.381 -0.432 30 20 DBED C=CCC[C@@H](CO)Nc1c(-c2nn[nH]n2)c(=O)n(C)c(=O)n1C 1588580008 XFGZZMJTQKLFHB-QMMMGPOBSA-N 321.341 -0.997 30 20 DBED C=C(CCC(=O)OC)C(=O)N1C[C@@H](C(=O)OC)[C@@H](C(=O)O)C1 1588633901 UFINACGQGGVRAR-VHSXEESVSA-N 313.306 -0.172 30 20 DBED C=CCNC(=O)CNC(=O)Nc1nc2n(c1C(=O)O)CCC2 1588844789 UVKJWPZJYQJETD-UHFFFAOYSA-N 307.310 -0.049 30 20 DBED CON1CCC(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[nH]2)CC1 1591468411 LTPKGZMOMTVWDD-UHFFFAOYSA-N 317.313 -0.327 30 20 DBED C[C@H]1CN(CCC(=O)O)CCN1C(=O)C(=O)NCCCCC#N 1594514437 XRLXTYZXMIXJEQ-LBPRGKRZSA-N 324.381 -0.196 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N[C@@]1(CC(=O)O)CCCOC1 1603129366 DSZWTEYOORGFSE-ZYHUDNBSSA-N 319.383 -0.064 30 20 DBED C=CCO[C@@H]1CCN(C(=O)C(=O)N2CCO[C@H](C(=O)O)C2)C1 1609636830 JTHZPFYTGDWBCR-MNOVXSKESA-N 312.322 -0.898 30 20 DBED N#Cc1ncn(CCNC(=O)N2CCC(CC(N)=O)CC2)n1 1649808592 RVDRAEVDLMDEFH-UHFFFAOYSA-N 305.342 -0.553 30 20 DBED C#CCNC(=O)CN1CCC[C@@H](NC(=O)CCc2ccon2)C1 1713790630 XVQFQOGHMFSMMA-CQSZACIVSA-N 318.377 -0.063 30 20 DBED C=CCCOCC(=O)N[C@H]1CCCN(CC(=O)NCC#N)C1 1732092683 LFKACYFFJYCMGB-ZDUSSCGKSA-N 308.382 -0.201 30 20 DBED C#CCCN1CCN(CCNC(=O)CN2CCCC2=O)CC1 1752359498 BELJKVXCFHPJLD-UHFFFAOYSA-N 306.410 -0.634 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1C[C@H](NC(=O)c2nccn2CC)C1 1752627364 GVWFDQJUAIEMCZ-JHJVBQTASA-N 317.393 -0.109 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@H]1C[C@@H](NC(=O)c2[nH]c(O)nc2C)C1 1752739913 PLGXLLUDZBAFOZ-MXWKQRLJSA-N 321.381 -0.035 30 20 DBED C#CCNCCNC(=O)[C@@H]1CCCN(C(=O)c2cnon2)C1 1752927218 QERWEBFTKCCMBR-LLVKDONJSA-N 305.338 -0.739 30 20 DBED C#CCNC(=O)CN1CC[C@@H](CCNC(=O)Cc2ncc[nH]2)C1 1753339096 OEOMNLFHIOFNHU-CYBMUJFWSA-N 317.393 -0.470 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N1CC(NC(=O)[C@H](C)C#N)C1 1753373191 NQPIGKVRCGSRQK-NXEZZACHSA-N 307.354 -0.653 30 20 DBED C=C(C)CCN1CC(CNC(=O)CNS(=O)(=O)CC)C1 1753404973 YSMGXTLRNGAZIZ-UHFFFAOYSA-N 303.428 -0.060 30 20 DBED C#CCNC(=O)[C@H](C)NCC[C@@H](C)NC(=O)c1cn(C)cn1 1753957523 PAIJXXWGRYSTLQ-NEPJUHHUSA-N 305.382 -0.344 30 20 DBED C#CCNC(=O)CNCC[C@H](C)NC(=O)c1cn(CC)cn1 1754013590 NZIVTVKRZPSULK-LBPRGKRZSA-N 305.382 -0.250 30 20 DBED C=CCNC(=O)CNC[C@H](C)NC(=O)[C@H]1CCc2nccn2C1 1754273450 RTIQAOBSFCWBKL-STQMWFEESA-N 319.409 -0.158 30 20 DBED C#CCCN1CC[C@@H](N2CCN(C(=O)CNC(C)=O)CC2)C1 1754662252 UIILMROCHJWIOR-OAHLLOKOSA-N 306.410 -0.636 30 20 DBED CCCNC(=O)CN1CC2(C[C@H](NC(=O)C#CC3CC3)CO2)C1 1755060759 AQILCFPHGIKNNZ-AWEZNQCLSA-N 319.405 -0.115 30 20 DBED C#CCNC(=O)CN1CC([C@H](C)NC(=O)[C@H]2CCCOC2)C1 1755376105 WUFAATNVOUFYPI-STQMWFEESA-N 307.394 -0.401 30 20 DBED C[C@H](CC(=O)N1CC[C@]2(CN(CC#N)CCO2)C1)NC(N)=O 1755400625 JIEJPGXKZGKYCA-RISCZKNCSA-N 309.370 -0.740 30 20 DBED CC#CCNC[C@H]1C[C@H](NC(=O)c2cn(C)c(=O)nc2O)C1 1755482749 JAGKMOBTEBTAJT-XYPYZODXSA-N 304.350 -0.393 30 20 DBED C#CCNC(=O)CN[C@@H]1C[C@H](C)N(C(=O)c2ncccc2O)C1 1755673028 FNOJYAVBDNYOJU-NWDGAFQWSA-N 316.361 -0.271 30 20 DBED C#CCCCC(=O)N(C)C[C@@H]1CCCN1C(=O)[C@@H]1CNC(=O)N1 1755926924 VEUZRWQEQUMMPT-STQMWFEESA-N 320.393 -0.079 30 20 DBED COc1cccnc1C(=O)N[C@@H](CO)CNC(=O)C#CC1CC1 1756520369 ZWLMLYQRMBNSKX-GFCCVEGCSA-N 317.345 -0.290 30 20 DBED C=C[C@](C)(O)CC(=O)N(C)C[C@H](O)CN(C)C(=O)c1cn[nH]c1 1756682857 DUODKFGLRYUGGK-WFASDCNBSA-N 324.381 -0.372 30 20 DBED C#CCNC(=O)CC(=O)N1CCC([C@H](C)NC(=O)COC)CC1 1756730737 AMDSWKLVNPNCGD-LBPRGKRZSA-N 323.393 -0.484 30 20 DBED C=CCCCC(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2cc[nH]n2)C1 1756988086 YJORWGDMDDNEGU-CHWSQXEVSA-N 306.366 -0.004 30 20 DBED C=CCOCC(=O)N1C[C@@H](NC(=O)[C@@H](C)COC)[C@H](OC)C1 1757121118 XUTYOUDKYBMMFC-YNEHKIRRSA-N 314.382 -0.187 30 20 DBED Cn1ncc(C(=O)O)c1C=Nn1cnc2c(cnn2C)c1=O 1776029509 XXIWFPJWHGNMJM-UHFFFAOYSA-N 301.266 -0.556 30 20 DBED N#CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C=CCN1 1796310814 GHYISQCEIKPTCG-OPDFLTKYSA-N 304.350 -0.982 30 20 DBED C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](C)NC(=O)C=C 1798617185 GZRSIAMQGYJHKG-FVCCEPFGSA-N 303.362 -0.052 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C)nn1C)C2 1800450524 DXBOZIMNVODYBV-JJLQDPRZSA-N 316.361 -0.435 30 20 DBED C#CC(=O)NC[C@H]1CCN(C(=O)C(O)O)[C@H]1c1cccnc1 1812524503 QBFBCRJPMZOAHR-YPMHNXCESA-N 303.318 -0.969 30 20 DBED N#Cc1ccc(N2CCN(CC(=O)N3CCNC3=O)CC2)nc1 60481552 ODPZDQIZYIFDFK-UHFFFAOYSA-N 314.349 -0.373 30 20 DBED C#CCNC(=O)c1ccc(N2CC[C@@H](S(=O)(=O)NC)C2)nc1 128712487 BKGZENNPRMNHCD-GFCCVEGCSA-N 322.390 -0.428 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 153087455 LGFURGKRFDMEKS-UHFFFAOYSA-N 301.350 -0.054 30 20 DBED COc1ccccc1CN/C(N)=N/CCNS(C)(=O)=O 170910557 QWEYRPANADWZSP-UHFFFAOYSA-N 300.384 -0.351 30 20 DBED CNC(=O)CO/N=C(\N)[C@H]1CN(Cc2ccccc2)CCO1 181838494 OIEMWQUAMMOPIU-CYBMUJFWSA-N 306.366 -0.078 30 20 DBED CC[C@@H](CC#N)NC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 183960526 LBKAZLVUYPQPNQ-KBPBESRZSA-N 322.409 -0.024 30 20 DBED C#CCCN/C(=N/C)NCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 261796246 QZWASTGJFZIHSL-IGQOVBAYSA-N 314.389 -0.018 30 20 DBED C/N=C(/NC[C@@H]1CN(C)CCN1C)N1CC[C@@]2(CCOC2)C1 261954279 IHWQNPSNTGHXGX-GDBMZVCRSA-N 309.458 -0.080 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1CCC[C@@H]1C(=O)O 263542977 FBQFEQOSMPNJTG-SNVBAGLBSA-N 305.356 -0.358 30 20 DBED CNS(=O)(=O)CC(=O)N1CCN(c2ncccc2C#N)CC1 267681930 WXGANTOHVUIZGD-UHFFFAOYSA-N 323.378 -0.849 30 20 DBED Cc1cc(NC(=O)CN2C(=O)C(=O)N(C)C2=O)nn1CCC#N 271111976 GNYNLSZHPRMOJE-UHFFFAOYSA-N 318.293 -0.536 30 20 DBED C=C(C)CS(=O)(=O)N1CCN(C(=O)C(=O)NC(C)C)CC1 276490240 AMVYFKMHYFUDNL-UHFFFAOYSA-N 317.411 -0.439 30 20 DBED CCOC(=O)CO/N=C(/C(=O)NC[C@@H](C)CO)c1cc[nH]n1 278744193 SQBSCTYPHJVPNC-OTIXUJTRSA-N 312.326 -0.562 30 20 DBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCCN1C(=O)CNC1=O 280936909 IWWWJIRGZZCCNH-JQWIXIFHSA-N 310.354 -0.181 30 20 DBED CNS(=O)(=O)N1CCN(C(=O)c2cc(C#N)cs2)CC1 282962282 RKJDZAURODYDEV-UHFFFAOYSA-N 314.392 -0.158 30 20 DBED CCN(C)C(=O)CNC(=O)C(=O)NCc1cccc(C#N)c1 283535692 DPCVVJIQLWDLLS-UHFFFAOYSA-N 302.334 -0.231 30 20 DBED N#Cc1ccc(N2CC[C@H](C(=O)N[C@@H](CO)C(N)=O)C2)c(F)c1 287481152 SSOZKDUODQPLMD-JQWIXIFHSA-N 320.324 -0.514 30 20 DBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCNC(=O)[C@@H]1C 292230472 AYFJSLNOBTUKKI-SRVKXCTJSA-N 309.366 -0.569 30 20 DBED C#CCNC(=O)CN1CCCN(c2ncnc3[nH]ncc23)CC1 301275009 KQMDDBXBTFTDIN-UHFFFAOYSA-N 313.365 -0.386 30 20 DBED Cn1ccnc(N2CCC[C@H](/N=C(/O)c3cnn[nH]3)C2)c1=O 329302966 NRJGUNUFZKKCSO-VIFPVBQESA-N 303.326 -0.128 30 20 DBED OC1=NC[C@H]2CN(/C(O)=N/CCN3CCSCC3)CCN12 329774062 LVYSKSYWTNOVLB-NSHDSACASA-N 313.427 -0.137 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CCN(CCOC)C(=O)C1 336937937 HDVGUBQUSAKRFD-UHFFFAOYSA-N 318.399 -0.743 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)NC[C@@H](O)CN1CCCCC1 337097261 RWQLNKFSKGWACB-CHWSQXEVSA-N 318.443 -0.241 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)NC[C@@H]2CCC[C@@H](CO)C2)CCO1 344958031 IIOIHBKUGLJEIH-JHJVBQTASA-N 317.411 -0.156 30 20 DBED C=CC1CCN(C(=O)CN2CCN(S(C)(=O)=O)CC2)CC1 346106965 YXXXEIJPLLSDOP-UHFFFAOYSA-N 315.439 -0.012 30 20 DBED C=CCOCCCN[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 348049049 IJXCINKMCJCTLQ-KGLIPLIRSA-N 318.439 -0.334 30 20 DBED C=CCOC[C@H]1NC(=O)N([C@H](C)CS(=O)(=O)CC)C1=O 348580567 BLRMWPSSAYAMOM-NXEZZACHSA-N 304.368 -0.067 30 20 DBED N#CCCN(CCN1CCOCC1)CC(=O)NC(=O)NC1CC1 356128338 GIENOXJJBLOWOD-UHFFFAOYSA-N 323.397 -0.478 30 20 DBED CCOCc1ccc(NC(=O)C(=O)NCC(=O)NCC#N)cc1 357293281 RMRXRTWUFMOJCC-UHFFFAOYSA-N 318.333 -0.082 30 20 DBED CC[C@H]1CN(CCNC(=O)NCCn2cnc(C#N)n2)CCO1 357877532 LGYXBJHGDZXFIR-LBPRGKRZSA-N 321.385 -0.440 30 20 DBED CCS(=O)(=O)N1CCC[C@@H](C(=O)N[C@@]2(C#N)CCOC2)C1 358449849 XRCLHBMDJSYRGQ-DGCLKSJQSA-N 315.395 -0.153 30 20 DBED N#CCCNC(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2CN)C1=O 388093704 UFLMGIWKMQFSGO-YGRLFVJLSA-N 307.354 -0.544 30 20 DBED C[C@H](C#N)CN(C)C(=O)C(=O)N1CCN(CC(C)(C)O)[C@H](C)C1 410847475 LGDODTJJNLXCFP-CHWSQXEVSA-N 324.425 -0.092 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N(C)CC(C)(C)CN)nn1 424551445 VZIUUCDQHSVMNN-UHFFFAOYSA-N 308.386 -0.476 30 20 DBED C#CCN(C)CCCNC(=O)N1CCN([C@@H]2CCNC2)CC1 491641994 UXTPOFWVMBBYCH-OAHLLOKOSA-N 307.442 -0.369 30 20 DBED C#C[C@H](CCC)NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1 491710806 SZMISYJSOWVRTO-LLVKDONJSA-N 323.440 -0.800 30 20 DBED Cn1ncc(C(=O)NCCS(=O)(=O)NC(C)(C)C)c1C#N 527521783 PDGGWZWYIDZIMG-UHFFFAOYSA-N 313.383 -0.261 30 20 DBED Cc1c(C(=O)NC(C)(C)C#N)cnc2c1c(=O)n(C)c(=O)n2C 540972408 VYTHNFITJMLVKO-UHFFFAOYSA-N 315.333 -0.027 30 20 DBED CC(=O)N1CCN(C(=O)CCN=c2nc[nH]cc2C#N)CC1 558311779 XXFLRHRMOWLJIQ-UHFFFAOYSA-N 302.338 -0.737 30 20 DBED CNC(=O)C[C@H](C)NCCS(=O)(=O)c1ccc(C#N)cn1 569333111 SBJRSBKQPVSVBL-JTQLQIEISA-N 310.379 -0.159 30 20 DBED C[C@@H](C(=O)N1CCN(c2ncc[nH]2)CC1)n1cnc(C#N)n1 580782864 GJQHJTKLNRCOLY-JTQLQIEISA-N 300.326 -0.217 30 20 DBED COC(=O)C[C@H](O)CNC(=O)C(=O)Nc1cc(C)cc(C#N)c1 600058540 FYXOOTRTGWGJQQ-LBPRGKRZSA-N 319.317 -0.155 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)Cc2ccn(CC)n2)CC1 651039826 VHZVDMZVRPOWJA-UHFFFAOYSA-N 319.409 -0.108 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 730106284 WQPFUHMKSPQCCZ-OLZOCXBDSA-N 313.423 -0.376 30 20 DBED CCN(C[C@H](C)C#N)C(=O)COC(=O)[C@H](C)NS(C)(=O)=O 758488862 VXBNBADCSSBQPY-ZJUUUORDSA-N 319.383 -0.525 30 20 DBED C#CCNS(=O)(=O)N1CCN([C@@H](C)c2nc(C)no2)CC1 761038934 ZUAGNMVPELCRQW-JTQLQIEISA-N 313.383 -0.476 30 20 DBED C[C@H]1NC(C(=O)NCC#CCO)=NN(c2ccccc2)C1=O 773549555 CTDVQVJPZMLBFV-LLVKDONJSA-N 300.318 -0.563 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)c1cc(=O)c(OC)co1 798676925 ORTIAEIKTCPTTR-UHFFFAOYSA-N 310.262 -0.183 30 20 DBED CS(=O)(=O)NC(=O)CCNC(=O)CNc1ccc(C#N)cc1 800552307 SIUYPPLNGNCZIA-UHFFFAOYSA-N 324.362 -0.448 30 20 DBED COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)NC(=O)CSCC#N 802156883 BPLRTIBSXDJKQH-HTQZYQBOSA-N 308.381 -0.113 30 20 DBED C#CC[C@H](CO)NC(=O)[C@H](C)NS(=O)(=O)c1cccs1 820059447 FPOUQHPPITZTPV-VHSXEESVSA-N 316.404 -0.085 30 20 DBED C=CCCn1cc(C(=O)O[C@H](C)C(=O)N2CCNC2=O)nn1 820982932 QZMFQLDSELRLNO-SECBINFHSA-N 307.310 -0.049 30 20 DBED COc1ccc(C(=O)N[C@H]2CNC[C@H]2C#N)cc1-n1cnnn1 834499818 NEABQAFSDRJHFV-MNOVXSKESA-N 313.321 -0.488 30 20 DBED N#C[C@@H]1CN(C(=O)NCCN2CCCC2=O)CCN1C1CC1 845478827 FDICZJYKLLTVFY-CYBMUJFWSA-N 305.382 -0.009 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N1CC[C@@H](N2CCOC2=O)C1 849438979 YKUQFPJUMMNHBA-WDEREUQCSA-N 316.383 -0.151 30 20 DBED C[C@@H]1CN(C(=O)C(=O)Nc2cnn(CC#N)c2)C[C@]1(C)CO 850707112 OUVJZHHHUQBWKM-QMTHXVAHSA-N 305.338 -0.178 30 20 DBED C#CC[C@H](CCOC)NC(=O)N1C[C@H](O)C[C@@H](C(=O)OC)C1 875915065 RXDCGFBDUBTLOJ-JHJVBQTASA-N 312.366 -0.020 30 20 DBED C#CC1(O)CN(C(=O)NCC2(S(C)(=O)=O)CCCC2)C1 894805149 WFKPKYNPZRDKOT-UHFFFAOYSA-N 300.380 -0.267 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)NC/C=C\Cl)CC1 899033540 USWQVTOEOWKRPI-ARJAWSKDSA-N 320.802 -0.466 30 20 DBED CNS(=O)(=O)[C@@H]1CCN(C(=O)c2cccc(C#CCO)c2)C1 901174925 OKNVPCSHCSWRJV-CQSZACIVSA-N 322.386 -0.206 30 20 DBED COCCn1c(=C(C#N)C#N)sc(=Cc2ccnn2C)c1=O 914565134 VALHPIWQHWSDNS-UHFFFAOYSA-N 315.358 -0.684 30 20 DBED C#CC[C@@H](CO)NC(=O)NCC1CCN(S(C)(=O)=O)CC1 915588135 MXHDTMBNJGSPBN-LBPRGKRZSA-N 317.411 -0.659 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@H](CNC(=O)c2cncn2C)C1 944658378 RHYOCTMXOATJQV-WDEREUQCSA-N 305.338 -0.463 30 20 DBED CC#CCN1CC[C@H](NC(=O)Cn2ccc(O)nc2=O)C[C@H]1C 947510152 JBWSXYOKVNLPSA-OLZOCXBDSA-N 318.377 -0.059 30 20 DBED N#CCN1CCOC2(CCN(C(=O)C[C@H]3CCNC3=O)CC2)C1 949386094 RCDQYLKPFOQKHR-CYBMUJFWSA-N 320.393 -0.270 30 20 DBED C=CC(C)(C)C(=O)N1CCN(CC(=O)N2CCNC(=O)C2)CC1 949663160 TVZJKAFYISWDDA-UHFFFAOYSA-N 322.409 -0.699 30 20 DBED N#Cc1cc(C(=O)N2CC[C@H]2CNC(=O)[C@@H]2COC(=O)N2)c[nH]1 949690730 QICSORCQZQCOHN-QWRGUYRKSA-N 317.305 -0.675 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1cn[nH]c1 950753974 PLOOQTQTOHLTDV-KGLIPLIRSA-N 315.377 -0.162 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@@H]2CNC(=O)[C@H]2CCNC2=O)[nH]1 951460283 ULJBGAAQJKJKBO-MNOVXSKESA-N 315.333 -0.647 30 20 DBED C=CCn1cc(C(=O)N(CC)C2CN([C@@H](C)C(=O)NC)C2)nn1 952425510 QYWJIAOXPFNXPX-NSHDSACASA-N 320.397 -0.255 30 20 DBED CN(C(=O)c1nnn(C)n1)C1CCN(C(=O)C#CC2CC2)CC1 954171554 KGTBDGBQDYCTNI-UHFFFAOYSA-N 316.365 -0.314 30 20 DBED C#Cc1ccc(C(=O)N2CCC(N(C)C(=O)C(N)=O)CC2)nc1 954343126 RWSFZEGAHDNUIC-UHFFFAOYSA-N 314.345 -0.389 30 20 DBED C[C@H]1C[C@H](NC(=O)c2nnn(C)n2)CCN1C(=O)C#CC1CC1 955669068 MRPKTXCGVVOIIT-CMPLNLGQSA-N 316.365 -0.267 30 20 DBED CC1(NC(=O)c2ccc(C#N)[nH]2)CCN(C(=O)CC(N)=O)CC1 956341470 ZGVUNKMMRMCNLP-UHFFFAOYSA-N 317.349 -0.127 30 20 DBED C#CCN1C[C@H](CNC(=O)c2scnc2COC)[C@@H](O)C1 958472813 YMRMCSMIRZADTR-JQWIXIFHSA-N 309.391 -0.055 30 20 DBED C#CCOc1ncccc1C(=O)NC[C@H]1CN(CC#N)C[C@H]1O 958595452 ROXHWJCRLBJQME-GXTWGEPZSA-N 314.345 -0.360 30 20 DBED C#CCCN1C[C@@H](O)[C@@H](CNC(=O)c2c(OC)ccnc2O)C1 958595677 UFJIXKNMRHJYTP-NWDGAFQWSA-N 319.361 -0.158 30 20 DBED C#CCN1C[C@H](CNC(=O)c2cc3c(nc2O)CCC3)[C@@H](O)C1 958668607 YXEKTEYXLFWLOC-WFASDCNBSA-N 315.373 -0.068 30 20 DBED COCc1ncc(C(=O)NC[C@H]2CN(CC#N)C[C@@H]2O)s1 958744360 LRTIUFHWYNREES-UWVGGRQHSA-N 310.379 -0.164 30 20 DBED C=CCN1C[C@@H]2C(NC(=O)Cc3ccc(C(N)=O)nc3)[C@H]2C1 960554000 DJHSDHVFCUHQKJ-RYUDHWBXSA-N 300.362 -0.045 30 20 DBED Cn1ncc(C(=O)N2C[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]3C2)n1 961537560 KXGUZWDUVQUQGD-BETUJISGSA-N 313.361 -0.241 30 20 DBED N#CCN1C[C@H]2C(NC(=O)[C@@H]3CCCN3C(=O)C3CC3)[C@@H]2C1 961974552 YOIUFTGFFNVOCB-UPJWGTAASA-N 302.378 -0.043 30 20 DBED C[C@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)[C@H]1CCC(=O)N1C)C2 969818837 UPUPHUGBMYZJMG-MROQNXINSA-N 318.377 -0.031 30 20 DBED Cn1c(C(=O)N2CC[C@@H](NCC#N)C2)c2n(c1=O)CCCC2 969964745 IUSHRSIIFPESHH-LLVKDONJSA-N 303.366 -0.149 30 20 DBED C#CCN1C[C@H]2CC[C@H]1CN2C(=O)[C@H]1CC(=O)N(CCOC)C1 971445857 OPUZUKLFDPDHEW-SOUVJXGZSA-N 319.405 -0.210 30 20 DBED Cc1nnc(CC(=O)N2CC[C@@]3(CN(CC#N)CCO3)C2)o1 972368661 ARJJPAWCHJOINO-CQSZACIVSA-N 305.338 -0.253 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)c3ccc(=O)n(C)n3)[C@H]2C1 977221387 JFWOXPLFFMLFDV-DNJQJEMRSA-N 315.333 -0.873 30 20 DBED CC1(C)CN(CC#N)C[C@H]1NC(=O)c1cc(=O)n2[nH]cnc2n1 977459214 FIISTXVSHFLQNB-SNVBAGLBSA-N 315.337 -0.619 30 20 DBED C#CCN1CCC(C(=O)NCC2[C@H]3CN(CCO)C[C@H]23)CC1 979085252 FXKQWKJYNVUMQA-HZPDHXFCSA-N 305.422 -0.382 30 20 DBED N#Cc1ccc(C(=O)NC2CN(C(=O)[C@H]3CCC(=O)N3)C2)[nH]1 990888361 IZZYKNRKUJJLQN-LLVKDONJSA-N 301.306 -0.894 30 20 DBED C[C@H](C#N)C(=O)N1CC(NC(=O)c2cccnc2C(N)=O)C1 992704790 AHJUQOBATYXSRK-MRVPVSSYSA-N 301.306 -0.719 30 20 DBED C#CCCN1CCC[C@@H](NC(=O)Cn2ccc(O)nc2=O)[C@@H]1C 993568943 NMICVCZWEURPLG-QWHCGFSZSA-N 318.377 -0.059 30 20 DBED C[C@H]1[C@H](NC(=O)c2nccnc2C(N)=O)CCCN1CC#N 994379376 UQABVUXQZGOTHF-VHSXEESVSA-N 302.338 -0.318 30 20 DBED C#Cc1cncc(C(=O)N2CC(NC(=O)Cn3ccnc3)C2)c1 994917109 FBKLRHKEPBYLQZ-UHFFFAOYSA-N 309.329 -0.100 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)[C@@]23COC[C@@H]2C3)C1 1000017175 LQKQKIPKMKGIOV-GXCBOPRBSA-N 306.362 -0.059 30 20 DBED C#CCN1CCC(C(=O)N2CCC[C@H](N[C@@H](C)C(N)=O)C2)CC1 1000991111 GHWOAZDDGJBJAU-ZFWWWQNUSA-N 320.437 -0.214 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](NC(=O)c2c[nH]c(=O)cn2)C(C)(C)C1 1008512507 BEDLEWDRZNYMGD-ONGXEEELSA-N 317.349 -0.104 30 20 DBED COCC(=O)N1C[C@@H]2C(CNC(=O)c3ccc(C#N)[nH]3)[C@H]2C1 1008954823 WMNGDYCRAIJCAL-VXGBXAGGSA-N 302.334 -0.033 30 20 DBED Cc1[nH]nc(C(=O)NC2[C@@H]3CN(C(=O)[C@@H](C)C#N)C[C@@H]23)c1O 1012967995 ZAKRJVBIRDKHMR-NBEYISGCSA-N 303.322 -0.230 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2C(NC(=O)c3cc(C(N)=O)c[nH]3)[C@H]2C1 1013670317 NACIJYDXKGATRD-JEZHCXPESA-N 315.333 -0.540 30 20 DBED Cc1nonc1CC(=O)NC1[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]12 1013698577 DRWHNFWFGVACCI-VXGBXAGGSA-N 314.345 -0.093 30 20 DBED C[C@@H]1[C@H](NC(=O)c2nnn(C)n2)CCCN1C(=O)C#CC1CC1 1015124077 CBWUDSNYESYROE-ZYHUDNBSSA-N 316.365 -0.267 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2cnc3c(c2)NC(=O)CO3)C1 1015126034 HIVZDXCKPMLZDS-SNVBAGLBSA-N 301.306 -0.260 30 20 DBED C#CCOc1ncccc1C(=O)N1CC[C@H](NCC(N)=O)C1 1019673203 GRBPZFAILUQRFU-NSHDSACASA-N 302.334 -0.617 30 20 DBED COc1ccc(C#N)cc1CN[C@H]1C[C@H](NC(=O)C(N)=O)C1 1020533200 LFOLZVUSIYDXDK-HAQNSBGRSA-N 302.334 -0.211 30 20 DBED O=C1NCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)C#CC3CC3)[C@@H]2C1 1021586186 NVEDONOOVIGLSZ-BFHYXJOUSA-N 315.373 -0.405 30 20 DBED C=CCN1CC[C@H](N2CC[C@H](CNC(=O)c3cnon3)C2)C1=O 1028883402 OFLRJBNPMHLWBG-YPMHNXCESA-N 319.365 -0.092 30 20 DBED N#CCN[C@H]1CC[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)CC1 1034777928 DLKYEXHJCMZBEZ-MGCOHNPYSA-N 315.337 -0.428 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)[C@H]2CCn3ccnc3C2)C1 1035418534 IPIMQEDENOKIQV-KBPBESRZSA-N 302.378 -0.104 30 20 DBED C#CCCN1CCO[C@@H](CNC(=O)c2cn(C)ccc2=O)C1 1035440732 RYVFTIJVHAMTKD-ZDUSSCGKSA-N 303.362 -0.161 30 20 DBED CC#CCN1CCO[C@H](CNC(=O)[C@@H]2CN(CC)CCO2)C1 1035606748 HFYZNEYFATZBQJ-CABCVRRESA-N 309.410 -0.453 30 20 DBED C#CCN1CC[C@H]2CN(C(=O)c3cn(C)c(=O)cn3)CC[C@H]21 1036776015 FMZZCHBGEIKZGD-GXTWGEPZSA-N 300.362 -0.050 30 20 DBED CC#CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1cn(C)c(=O)nc1O 1037717408 YBAGBIXMTTVDCH-ADEWGFFLSA-N 302.334 -0.688 30 20 DBED C=CCN[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C[C@@H]1CC 1037988945 ZEIQAHLIQYLJFU-NWDGAFQWSA-N 308.382 -0.059 30 20 DBED CCC(=O)N1C[C@H](n2ccnn2)[C@H](N=c2cc[nH]c(C#N)n2)C1 1039560266 POAKTMWZYWXBOV-MNOVXSKESA-N 312.337 -0.364 30 20 DBED C#CCCCC(=O)NC[C@@]1(O)CCN(C(=O)Cc2cnc[nH]2)C1 1039576790 XURZMRVPOGLQJO-INIZCTEOSA-N 318.377 -0.165 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCN(C)C(=O)C2)C1 1041973029 OYJXFBIQBDQWNI-GFCCVEGCSA-N 323.393 -0.490 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)[C@@]2(F)CCOC2)C1 1041973226 UIDJXCTXVYCJHQ-CQSZACIVSA-N 300.330 -0.229 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)c2cncc(F)c2)C1 1042039623 FRXGHLFUQMFJKM-UHFFFAOYSA-N 323.324 -0.274 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)C[C@@H]2CCOC2)C1 1042245701 XBGPOWREBQUSFT-ZDUSSCGKSA-N 308.378 -0.238 30 20 DBED Cc1nscc1C(=O)NCC1(O)CN(C(=O)[C@H](C)C#N)C1 1042655137 IIIOEVFKHZRBSK-MRVPVSSYSA-N 308.363 -0.086 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CO[C@@H](C)C2)C1 1042801148 FEBVMSIFFYOBAC-STQMWFEESA-N 308.378 -0.096 30 20 DBED C=C(C)CCC(=O)N1CC(O)(CNC(=O)c2cnnn2CC)C1 1042906710 QLCSPTRTTHJWIO-UHFFFAOYSA-N 321.381 -0.043 30 20 DBED O=C(C#CC1CC1)NCC1(O)CN(C(=O)[C@H]2CCCOCC2)C1 1042959243 VISXPVRIAJRVPY-AWEZNQCLSA-N 320.389 -0.094 30 20 DBED Cn1nccc1C(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1043864896 MJPCYIFWKQSBFF-PWSUYJOCSA-N 313.321 -0.939 30 20 DBED Cc1cc(C#N)nc(N2C[C@H](O)[C@H](NC(=O)[C@H]3CCOC3)C2)n1 1043867978 RMNPSEFBYICENP-UHTWSYAYSA-N 317.349 -0.641 30 20 DBED C=C(Cl)CN1CC(N(C)C(=O)CN2CC(=O)N(C)C2=O)C1 1044178505 NVEPTIOJEGAKLB-UHFFFAOYSA-N 314.773 -0.225 30 20 DBED C#Cc1ccc(C(=O)NCC2(O)CN(C(=O)[C@H](C)OC)C2)cn1 1044255391 ZGELZPZXANUXAD-NSHDSACASA-N 317.345 -0.599 30 20 DBED C=CCN1CC[C@H](N2CC(N(C)C(=O)Cn3cncn3)C2)C1=O 1044269525 MPQAYCUHUHLFEB-ZDUSSCGKSA-N 318.381 -0.792 30 20 DBED C=C(Cl)CN1CC(N(C)C(=O)CN2C(=O)CN(C)C2=O)C1 1044271669 MTJYDQVYXCYZPT-UHFFFAOYSA-N 314.773 -0.225 30 20 DBED Cc1n[nH]cc1C(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1044358687 UXSLSIKXRBQQBU-NEPJUHHUSA-N 313.321 -0.641 30 20 DBED C=C(C)C[C@@H](C)C(=O)NCC1(O)CN(C(=O)Cn2cncn2)C1 1045058263 AXWIUBOZJKHBSG-GFCCVEGCSA-N 321.381 -0.430 30 20 DBED CC#CCN1CC[C@@H](N2CCN(C(=O)Cn3cncn3)CC2)C1 1046081091 FSJPEHAHYWZKPQ-OAHLLOKOSA-N 316.409 -0.480 30 20 DBED N#Cc1nc(=N[C@H]2C[C@H](CNC(=O)c3nccnc3N)C2)cc[nH]1 1046747115 IDIIPAUHEGZZPY-MGCOHNPYSA-N 324.348 -0.237 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCN(C(=O)CC)C2)C1 1047588359 KDUSZKPXWRGHAF-RDBSUJKOSA-N 309.410 -0.066 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CS(C)(=O)=O)C1 1048459031 XSAICBCFEUHVCT-QWRGUYRKSA-N 318.395 -0.973 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)[C@H]1CN(C(=O)CCOC)C[C@@H]1O 1048852331 KYTJXFWDNUJOSF-AVGNSLFASA-N 312.366 -0.909 30 20 DBED CC#CCCCC(=O)N(C)[C@H]1CN(C(=O)c2cnon2)C[C@@H]1O 1049245558 AWMBCBLQVVLXOG-STQMWFEESA-N 320.349 -0.093 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)C2=COCCO2)C[C@@H]1O 1049388289 ILCQLLCHOBPWJM-VWYCJHECSA-N 309.322 -0.936 30 20 DBED Cn1nnc2c1C[C@@H](C(=O)NC[C@@H]1COCCN1CC#N)CC2 1051089001 ZQZAUEFTYRJANX-NWDGAFQWSA-N 318.381 -0.739 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)c1c[nH]c(=O)cn1)CCO2 1053397719 FQUVQVPDWCHPLL-UHFFFAOYSA-N 302.334 -0.680 30 20 DBED N#Cc1nccnc1N1CCN(C(=O)CO[C@H]2CCOC2)CC1 1055911489 ZCZNDWRAJCUNEI-LBPRGKRZSA-N 317.349 -0.198 30 20 DBED C[C@H](C#N)C(=O)N[C@]1(CO)CCCN(C(=O)c2cnco2)C1 1056096589 JBVZDVBAPXHSAO-QMTHXVAHSA-N 306.322 -0.082 30 20 DBED N#Cc1cnc(N2C[C@@H]3C(NC(=O)Cn4cncn4)[C@H]3C2)cn1 1056218336 VIDJFCWTKOOPFN-QWRGUYRKSA-N 310.321 -0.809 30 20 DBED N#Cc1cccnc1N1C[C@@H]2C(NC(=O)Cn3ncnn3)[C@H]2C1 1056310138 PYTMYCREDVBKLZ-QWRGUYRKSA-N 310.321 -0.809 30 20 DBED CN1CC[C@H](C(=O)N2CC[C@@H](Nc3nccnc3C#N)C2)C1=O 1056752888 OAXRMIZFVAPRFN-MNOVXSKESA-N 314.349 -0.161 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)c1[nH]c(C)nc1C 1057196611 PBQWATZWTUOQNN-UHFFFAOYSA-N 324.381 -0.220 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)c1ccnnc1 1057524744 PLRZNBPGYNYYBM-UHFFFAOYSA-N 304.350 -0.313 30 20 DBED N#Cc1cncc(N2CC[C@@H](NC(=O)[C@H]3CCNC(=O)C3)C2)n1 1058336273 RPKPAMKNJDQZKF-WDEREUQCSA-N 314.349 -0.431 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)Cc1ccco1 1058515456 DUQNIXSIYZMKGJ-UHFFFAOYSA-N 310.350 -0.038 30 20 DBED Cc1cc(=O)c(C(=O)NCCN(CCO)C(=O)[C@H](C)C#N)c[nH]1 1058657055 PIMHRBSPVMEUFJ-SNVBAGLBSA-N 320.349 -0.606 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)COCC1CC1 1061342497 AZQMEHOITAFAGK-YPMHNXCESA-N 309.366 -0.084 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCOC[C@H]1CNC(=O)c1ncc[nH]1 1061557882 FJYDALNHVSDJFL-NWDGAFQWSA-N 322.365 -0.042 30 20 DBED C#CCOCCC(=O)NC[C@@H]1COCCN1C(=O)COCC=C 1061580536 ADIRVFYQSCEGCS-CQSZACIVSA-N 324.377 -0.428 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)COCCN(C)C)CCC1 1063718442 FUSQWEQTYQKOQO-GFCCVEGCSA-N 310.398 -0.121 30 20 DBED C=CCCC(=O)N1CCO[C@@H](CNC(=O)[C@H]2CCC(=O)N2)C1 1064955398 GVVNTLQPTUHXHN-NWDGAFQWSA-N 309.366 -0.425 30 20 DBED Cc1nn[nH]c1C(=O)N1CCO[C@@H](CNC(=O)[C@@H](C)C#N)C1 1065416715 XSDKGJUGGASPNT-WPRPVWTQSA-N 306.326 -0.770 30 20 DBED C[C@H]1C[C@H](CN=c2cc[nH]c(C#N)n2)CN1C(=O)c1cnn[nH]1 1068382592 AVVYUKULFOHPKX-VHSXEESVSA-N 312.337 -0.149 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC2(C[C@H](NC(=O)COC)CO2)C1 1068652891 UJTSPMIXCOCEGF-FZMZJTMJSA-N 312.366 -0.554 30 20 DBED C=CCO[C@H](C)C(=O)N1CC2(C[C@H](NC(=O)COC)CO2)C1 1068655139 YYLQAHORDLBJMH-NEPJUHHUSA-N 312.366 -0.290 30 20 DBED CN(C(=O)[C@H]1CCNC1=O)C1CC(N=c2cc[nH]cc2C#N)C1 1069788044 QCTWMGMERZGYIR-BPCQOVAHSA-N 313.361 -0.087 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2cnn(CC)n2)C1 1069921732 XFBRBVSPGZMLHH-OLZOCXBDSA-N 316.369 -0.269 30 20 DBED C[C@@H](C(=O)N1CCC(=O)NCCN(CC#N)CC1)[C@@H]1CCCO1 1070996530 WTTUVMDFJNUDNM-KGLIPLIRSA-N 322.409 -0.024 30 20 DBED C=CCOCC(=O)N[C@@H]1CCCN(C(=O)[C@]2(C)CCC(=O)N2)C1 1071277725 DWNDWHVFCZDFRR-WBMJQRKESA-N 323.393 -0.035 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H](C)[C@@H](NC(=O)c2ccc[nH]2)C1 1071933231 SVCCKYMVODHMHJ-AAEUAGOBSA-N 316.361 -0.269 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(C(=O)C2(C)CC2)C[C@H]1C 1072250428 QTKUKHRIIPRCTH-VXGBXAGGSA-N 305.378 -0.111 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CN(C(=O)c2cc[nH]c2)C[C@H]1C 1072257540 OOQMHQVSBPLKHT-YPMHNXCESA-N 316.361 -0.269 30 20 DBED C=C(C)CN1CCO[C@@H]2CCN(C(=O)Cn3ncnn3)C[C@@H]21 1074241161 CWACDLSCVGFHON-QWHCGFSZSA-N 306.370 -0.449 30 20 DBED COC[C@@H](C)C(=O)N1CCC(O)(CNC(=O)[C@H](C)C#N)CC1 1074514678 WTPQHRPFGCRZIP-VXGBXAGGSA-N 311.382 -0.102 30 20 DBED C[C@@H](CCNC(=O)CSCC#N)NC(=O)[C@H]1CCC(=O)N1 1075675990 WXDULNRAESQZTQ-VHSXEESVSA-N 312.395 -0.467 30 20 DBED COCCOCC(=O)NCC[C@H](C)NC(=O)CSCC#N 1075956097 OEDOSUQKVSVEFC-NSHDSACASA-N 317.411 -0.083 30 20 DBED CC(C)C#CC(=O)NCC[C@H](C)NC(=O)C1(NC(N)=O)CC1 1076411640 RJNKWNSOTUVIBH-NSHDSACASA-N 308.382 -0.142 30 20 DBED CC(C)C#CC(=O)NCC[C@H](C)NC(=O)C[C@@H]1NC(=O)NC1=O 1076415009 UOZCLQPMHIPQTP-QWRGUYRKSA-N 322.365 -0.745 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CN3CC4CC3(CO2)C4)C1 1077418249 KTTBKEVOHIXPFN-VXSWHIBVSA-N 319.405 -0.966 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCS(=O)(=O)C2)C1 1077771102 WWYCQIJCROUTFR-JHJVBQTASA-N 316.423 -0.451 30 20 DBED C#CCOc1ncccc1C(=O)N[C@@H]1CN(CCOC)C[C@H]1O 1078028118 ZVASZYKFDWXIRU-ZIAGYGMSSA-N 319.361 -0.485 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)C1 1078161046 BJJPWSDVSAKVBS-IACUBPJLSA-N 320.393 -0.538 30 20 DBED CCN(C(=O)C#CC1CC1)C1CN(C(=O)[C@@]2(C)CCNC2=O)C1 1079739218 LLXGAUXBZIQZQR-KRWDZBQOSA-N 317.389 -0.015 30 20 DBED C=CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)C2(C(N)=O)CC2)C1 1079981373 PKHZJPUVSMMIES-LLVKDONJSA-N 323.393 -0.098 30 20 DBED N#CCSCC(=O)NC[C@H]1CN(C(=O)c2cc[nH]c2)C[C@H]1O 1081288697 FSHGMZNDWDJQDY-NWDGAFQWSA-N 322.390 -0.179 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)Cn2cccn2)C[C@H]1O 1081442417 VBIKXUXHIQZPMD-ZIAGYGMSSA-N 318.377 -0.378 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2cn(C)nn2)C1 1081456383 YRQMMFMQIYYBTC-ZYHUDNBSSA-N 307.354 -0.670 30 20 DBED CCCOCC(=O)N1C[C@H](CNC(=O)C#CC2CC2)[C@@H](O)C1 1081471383 MLRLDLJTWOKWEB-KBPBESRZSA-N 308.378 -0.238 30 20 DBED O=C(Cc1cnoc1)NC[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1081679799 OXBOIVNSKIUNRF-ZIAGYGMSSA-N 317.345 -0.434 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)c2cccc(C(N)=O)c2)C1 1083577242 KUPYLLZOEAMMRA-KGLIPLIRSA-N 301.346 -0.416 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)Cc2ccccc2C(N)=O)C1 1083691713 CBZWLRYJBYCGRG-KGLIPLIRSA-N 301.346 -0.878 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)Cn2nnc3c2CCCC3)C1 1083785776 SELVRBILJACBEI-HIFRSBDPSA-N 319.409 -0.106 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)c2cnn3c(=O)cc[nH]c23)C1 1083841874 NTTHDXXZBJJXNW-NEPJUHHUSA-N 317.349 -0.626 30 20 DBED C=C(C)CN[C@H]1C[C@H](CNC(=O)c2cn(CC(N)=O)nn2)C1 1086558798 RRFQKEQXDWPMNZ-XYPYZODXSA-N 306.370 -0.563 30 20 DBED COCCN1C[C@H](C(=O)N[C@H]2CCN(CC#N)[C@@H]2C)CC1=O 1088602078 VUMYHGQNUPVDMW-UPJWGTAASA-N 308.382 -0.416 30 20 DBED Cn1nc(C(=O)N[C@H]2CCN(CC#N)C[C@H]2O)cc1C1CC1 1090307586 BIMAQFIMKGVYFV-SMDDNHRTSA-N 303.366 -0.014 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2cncc(OC)n2)[C@H](O)C1 1090623802 KBBUSMCEDAJLNS-WCQYABFASA-N 304.350 -0.327 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2ccc(=O)n(CC)n2)[C@H](O)C1 1090650748 CWTIACCACGLVSD-DGCLKSJQSA-N 304.350 -0.939 30 20 DBED C[C@H](CC(N)=O)C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1C 1090803535 DAHPVRJAPCXCKY-GMTAPVOTSA-N 316.365 -0.199 30 20 DBED C=CCN1CC[C@H](NC(=O)Cc2nc(C3CC3)nn2C)[C@H](O)C1 1090825212 XDFGAIUVPROKSS-QWHCGFSZSA-N 319.409 -0.028 30 20 DBED CS[C@@H](C)C(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1091065682 GRUQAKMRNCXJTO-GDPRMGEGSA-N 307.379 -0.235 30 20 DBED CCO[C@H](C)C(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1091066963 GNGIXHXTQNVUHI-JLLWLGSASA-N 305.338 -0.561 30 20 DBED N#Cc1ccc(N[C@H]2C[C@@H](CNC(=O)Cn3ncnn3)C2)nn1 1091372119 VCIMZRLCNKUPHB-JGZJWPJOSA-N 313.325 -0.658 30 20 DBED CNC(=O)NCC(=O)NC[C@H]1C[C@H](N=c2cc[nH]c(C#N)n2)C1 1091520709 UNBCJLRTFZNLPW-MGCOHNPYSA-N 317.353 -0.994 30 20 DBED N#Cc1ccc(N[C@@H]2CC[C@H](CNC(=O)CNC(N)=O)C2)nn1 1091534856 QFZZHKXRAYDVDK-VHSXEESVSA-N 317.353 -0.287 30 20 DBED N#Cc1nccnc1N1CC[C@@H](NC(=O)C#CC2CC2)[C@H](O)C1 1092150149 BOYCDWUMNCBUHZ-TZMCWYRMSA-N 311.345 -0.183 30 20 DBED N#Cc1nccnc1NC1CC(CNC(=O)Cn2cncn2)C1 1092219414 OMPQAVZZCVTQMG-UHFFFAOYSA-N 312.337 -0.053 30 20 DBED C=CCN1CC2(C[C@H](NC(=O)Cn3nccn3)c3nccn32)C1 1092373528 SZIOUZBQSYMCLQ-LBPRGKRZSA-N 313.365 -0.067 30 20 DBED C#CCNC(=O)CC(=O)N1CCN(c2cc(C)ncn2)CC1 1093149085 VXQUYOHKMOKSPL-UHFFFAOYSA-N 301.350 -0.427 30 20 DBED CC(=O)NCC(=O)N[C@H]1[C@@H]2CN(c3nc(C)cc(C#N)n3)C[C@@H]21 1093214279 CIWCOXMPMBAPQS-IMRBUKKESA-N 314.349 -0.656 30 20 DBED N#Cc1nccnc1NCCCNC(=O)CN1CCOCC1=O 1094860071 ISABAUWNCLLOFY-UHFFFAOYSA-N 318.337 -0.875 30 20 DBED CCN(CCCNC(=O)CC(=O)NC)c1nccnc1C#N 1095864129 VQWCVWMJSGQOIL-UHFFFAOYSA-N 304.354 -0.183 30 20 DBED N#Cc1nc(=N[C@@H](CNC(=O)[C@H]2C[C@H]2C(N)=O)C2CC2)cc[nH]1 1096808989 JIQDWHZTPTWDTK-VWYCJHECSA-N 314.349 -0.802 30 20 DBED C[C@@H](CNC(=O)c1cc(=O)n(C)o1)N=c1cc[nH]c(C#N)n1 1097781878 FFHWTIXUYMHUSM-QMMMGPOBSA-N 302.294 -0.708 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2cnsn2)[C@H](O)C1 1099690311 NJKQHRGNHVXOSB-CMPLNLGQSA-N 310.379 -0.647 30 20 DBED C=C(Cl)CN1CC[C@H](NC(=O)CNC(=O)OC)[C@@H](O)C1 1099696482 ZANUMJOQPUOZTF-UWVGGRQHSA-N 305.762 -0.354 30 20 DBED CC#CCN1CC[C@H](NC(=O)CCn2ccccc2=O)[C@@H](O)C1 1099866913 PIOQWTWITUJUEC-GJZGRUSLSA-N 317.389 -0.187 30 20 DBED Cc1cc(COCC(=O)N[C@H]2CCN(CC#N)C[C@@H]2O)on1 1099889727 FLEDRYZWFJZACH-STQMWFEESA-N 308.338 -0.425 30 20 DBED CN(CCNC(=O)CCc1cnn(C)n1)c1ccc(C#N)nn1 1100329185 PULIKFRHISQEQG-UHFFFAOYSA-N 314.353 -0.338 30 20 DBED CCN(CCNC(=O)Cn1cnnn1)c1snc(C)c1C#N 1100439890 ZJRQYXZOQDKHTQ-UHFFFAOYSA-N 320.382 -0.048 30 20 DBED CO[C@@H](C(=O)NCC1CC(NCC(=O)NCC#N)C1)C1CCC1 1100540836 VEBKUNHYHYQZBP-ABIUDSBCSA-N 322.409 -0.074 30 20 DBED CCO[C@H](C)C(=O)NC[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1101751817 DPNAPKJAXXGGFG-JHJVBQTASA-N 310.398 -0.265 30 20 DBED CN(CCNc1cnc(C#N)cn1)C(=O)[C@H]1CCCNC1=O 1101814987 JWUXRMBFLIPDRS-NSHDSACASA-N 302.338 -0.255 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1CNC(=O)COCc1ncnn1C 1102491667 BKRXVGZMFNYKJR-VXGBXAGGSA-N 306.370 -0.461 30 20 DBED CC(=O)NCC(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(C#N)n1 1102535079 DWOWRPQJZWURDI-QWRGUYRKSA-N 300.322 -0.726 30 20 DBED CC[C@H](CNC(=O)C1CS(=O)(=O)C1)Nc1cncc(C#N)n1 1103200421 XPFCLBAUPRFUHD-SNVBAGLBSA-N 323.378 -0.300 30 20 DBED CC(=O)NCC(=O)NC1(CN=c2cc[nH]c(C#N)n2)CCCC1 1103389688 HUUPLXHFRIPYAO-UHFFFAOYSA-N 316.365 -0.253 30 20 DBED Cc1ncncc1C(=O)NC[C@@H](O)CNc1nccnc1C#N 1105722905 BRUJVSBTAFQNEZ-JTQLQIEISA-N 313.321 -0.351 30 20 DBED CC(C)COCCC(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1 1105769759 OUNLNLGQWWEXOE-GFCCVEGCSA-N 321.381 -0.278 30 20 DBED CN(C)CC1(C(=O)NC[C@H](O)CNc2ccc(C#N)nn2)CC1 1106099545 CQXGNLOJOSQJHL-GFCCVEGCSA-N 318.381 -0.421 30 20 DBED CC[C@H](NC(C)=O)C(=O)NC[C@H](O)CNc1ccc(C#N)cn1 1106123228 KMQSPOZZSWCIPD-OLZOCXBDSA-N 319.365 -0.243 30 20 DBED CCC(=O)N[C@@H](C)C(=O)NC[C@H](O)CNc1ccc(C#N)nc1 1106140909 RGDUHXMWHLXYJF-GXFFZTMASA-N 319.365 -0.243 30 20 DBED C[C@@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)c1cnnn1C 1106313782 QMVYUZGQXONOIC-VIFPVBQESA-N 300.326 -0.481 30 20 DBED CN1C[C@@H](C(=O)NC/C=C\CN=c2cc[nH]c(C#N)n2)CC1=O 1107568639 LMTQTWJDRZLOIM-QUCGXOGASA-N 314.349 -0.667 30 20 DBED CN1C[C@@H](C(=O)NC/C=C/CNc2cncc(C#N)n2)CC1=O 1107568890 QZJRGYAAJMFFQN-VUDBWIFFSA-N 314.349 -0.089 30 20 DBED C[C@@]1(CNC(=O)[C@@H]2CCNC(=O)CC2)CN(CC#N)CCO1 1108097121 BSAWLEFUHKEBHA-SWLSCSKDSA-N 308.382 -0.367 30 20 DBED Cc1cc(=NC[C@H](C)NC(=O)CN2CCOCC2)c(C#N)c[nH]1 1108319035 RIPGKCSNGQJTCC-ZDUSSCGKSA-N 317.393 -0.068 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)C[C@H](C)COC)CC2=O)C1 1108583341 LULBLWIRRAXHRT-STQMWFEESA-N 307.394 -0.307 30 20 DBED COC[C@@]1(C(=O)N[C@@H](C)CN=c2cc[nH]c(C#N)n2)CCOC1 1108614196 JHPBTJHROOOUOV-NHYWBVRUSA-N 319.365 -0.260 30 20 DBED C[C@H](CN(C)c1cnc(C#N)cn1)NC(=O)C(C)(C)C(N)=O 1109125273 OSEBMWGCCOLYAH-SECBINFHSA-N 304.354 -0.199 30 20 DBED C[C@@H](C(=O)NC(N)=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C#CC1CC1 1109259903 YDVWNWXWBOBFPW-RYDUCSDGSA-N 318.377 -0.295 30 20 DBED CN(CCCN=c1cc[nH]c(C#N)n1)C(=O)C1CS(=O)(=O)C1 1109531774 VVPMHOQFWVXPQF-UHFFFAOYSA-N 323.378 -0.925 30 20 DBED CS(=O)(=O)CCC(=O)NCC1(Nc2nccnc2C#N)CC1 1110390850 HEGBXZQEOZJINB-UHFFFAOYSA-N 323.378 -0.156 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)COCCOC 1110403162 LIHFBESOFOXUOD-MCIONIFRSA-N 323.393 -0.880 30 20 DBED N#Cc1nccc(N2CC[C@@](O)(CNC(=O)C#CC3CC3)C2)n1 1111070279 COQOFPCLHBSYLB-MRXNPFEDSA-N 311.345 -0.181 30 20 DBED COCCC(=O)N(C)[C@H]1CN(c2nc(C)cc(C#N)n2)C[C@@H]1O 1111167929 UOMJMSUYGGZFLN-STQMWFEESA-N 319.365 -0.299 30 20 DBED CC[C@@H](C(=O)N(CCO)CCNc1ccc(C#N)nn1)N(C)C 1111492670 KUTASFXTLKXYCT-ZDUSSCGKSA-N 320.397 -0.079 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCN(CCCS(C)(=O)=O)CC1 1112813906 DLEPZDGBCWEFOY-CQSZACIVSA-N 318.439 -0.108 30 20 DBED CNC(=O)NCC(=O)NC1CC(CN=c2cc[nH]cc2C#N)C1 1112873984 IWYXEWRFLGYWSM-UHFFFAOYSA-N 316.365 -0.389 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)c2cncn2C)CC1 1113074042 XMIOKKLKVUNHBV-GFCCVEGCSA-N 305.382 -0.131 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)CCCCOC)[C@@H]2C1 1114014039 HHPSWKRZHIMPLV-BFHYXJOUSA-N 321.421 -0.013 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1[C@@H]2CN(CC3CCOCC3)C[C@@H]21 1114170086 MIWBHCULPPYNQO-HALDLXJZSA-N 319.405 -0.401 30 20 DBED CCn1ccnc1C(=O)NC1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]12 1114189510 QDTCKQKGUMMQSY-GHMZBOCLSA-N 316.365 -0.797 30 20 DBED O=C(C#CC1CC1)NC1[C@@H]2CN([C@@H]3CCC(=O)NC3=O)C[C@@H]12 1114252772 CBDFEHQUIKVUFL-IJLUTSLNSA-N 301.346 -0.749 30 20 DBED C#CCOCCC(=O)NC1[C@@H]2CN(Cc3nonc3C)C[C@@H]12 1114266029 LEQGIOHVTDGOFX-VXGBXAGGSA-N 304.350 -0.036 30 20 DBED C#CCC1(C(=O)NC2[C@@H]3CN(CC(N)=O)C[C@@H]23)CCOCC1 1114395076 OBPPKYNTWOLSRM-VXGBXAGGSA-N 305.378 -0.662 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)Cc3cnoc3)[C@H]2C1 1114727748 YEXSCKZEUBZSIU-MUYACECFSA-N 316.361 -0.599 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)c3nc(C)oc3C)[C@@H]2C1 1115011736 XWFSYRJHIXMPKA-VXGBXAGGSA-N 316.361 -0.299 30 20 DBED C=CCN1C[C@@H]2C(NC(=O)CNS(=O)(=O)CCCC)[C@H]2C1 1115179397 AUFWNCNZUMJEJI-RYUDHWBXSA-N 315.439 -0.062 30 20 DBED CCCC(=O)NCC(=O)N(C)C[C@H](C)N=c1cc[nH]c(C#N)n1 1115627101 QTLHFLHIFBUAII-NSHDSACASA-N 318.381 -0.055 30 20 DBED N#CCCCS(=O)(=O)NC(=O)CCN1C(=O)CCC1=O 1116488391 REHKCJGXCLFCBD-UHFFFAOYSA-N 301.324 -0.725 30 20 DBED C=C[C@H](COC)NC(=O)NC1CCN(S(C)(=O)=O)CC1 1116617778 WMMDZKHPQANTRV-SNVBAGLBSA-N 305.400 -0.089 30 20 DBED C#CCNC(=O)C1CCN(c2nnnn2C[C@H]2CCCO2)CC1 1119648205 XQOWPQBQTBBDJU-CYBMUJFWSA-N 318.381 -0.182 30 20 DBED N#Cc1cnc(N[C@H](CO)CNC(=O)c2cnns2)cn1 1121092115 JDCRGIABQIQMRG-QMMMGPOBSA-N 305.323 -0.597 30 20 DBED CCc1nc(C#N)cc(N[C@@H](CO)CNC(=O)[C@H](C)C#N)n1 1121213112 MIBFLDFLAUSGOU-MWLCHTKSSA-N 302.338 -0.041 30 20 DBED C#CCNCC(=O)N1CCN(CC(=O)Nc2ccccc2)CC1 1121902965 KPISRLOMKXAXQS-UHFFFAOYSA-N 314.389 -0.008 30 20 DBED C[C@@H](CC(N)=O)C(=O)NC[C@@H](CO)Nc1ncc(C#N)cc1F 1122353919 FJBVSXFZIRSWRL-WPRPVWTQSA-N 323.328 -0.507 30 20 DBED N#C[C@@H](C(=O)[C@H]1CCSC1)C(=O)N1CCS(=O)(=O)CC1 1122500172 YWBBFRNBXLBXCY-UWVGGRQHSA-N 316.404 -0.295 30 20 DBED C[C@H]1CCN(CC(=O)NC[C@@H](CO)Nc2ccc(C#N)nn2)C1 1122526812 MICITTSAVOKPKR-AAEUAGOBSA-N 318.381 -0.421 30 20 DBED CCC(=O)N[C@H](C)C(=O)NC[C@@H](CO)Nc1nccnc1C#N 1122752262 KSTWBZNKOOGRDO-ZJUUUORDSA-N 320.353 -0.848 30 20 DBED C[C@@H](CNCCNC(=O)CSCC#N)CS(C)(=O)=O 1123799234 NHWSIVOKNQEFGY-JTQLQIEISA-N 307.441 -0.370 30 20 DBED CN(C[C@H](O)CN(C)c1ccnc(C#N)n1)C(=O)[C@H]1CCCO1 1124940605 WODDPCYDUNKMMC-VXGBXAGGSA-N 319.365 -0.217 30 20 DBED C=CCOCC(=O)N(C)C[C@H](O)CN(C)c1cncc(C#N)n1 1124989360 VEJWCGCKNPCDEO-CYBMUJFWSA-N 319.365 -0.194 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1ccnn1CC1CCC1 1127397371 UUIMBCMSEYMCEY-UHFFFAOYSA-N 317.393 -0.248 30 20 DBED C#CCO[C@@H](C)C(=O)NCc1cnn2c1CN(CCO)CC2 1128362109 BFQJXNBNXGNFOV-LBPRGKRZSA-N 306.366 -0.655 30 20 DBED CC#CCN[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@@H]1n1ccnn1 1129807394 JPOQILMQFHZYBL-NEPJUHHUSA-N 314.353 -0.915 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1cccc(C(N)=O)c1 1130362225 KVOORDPKFKGPHJ-UHFFFAOYSA-N 304.350 -0.593 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(C)=O)C[C@H]1c1cn(C)cn1 1130468230 FZHVUCSPEAHOHV-GXTWGEPZSA-N 303.366 -0.927 30 20 DBED C=CCCC(=O)N1CCC(=O)NCCN([C@@H]2CCNC2=O)CC1 1131337155 ZBCYOBKDPXJEMY-CYBMUJFWSA-N 322.409 -0.508 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)[C@@H](C)CC(F)F 1131450164 QNJIROZHEMPBQZ-VIFPVBQESA-N 320.340 -0.005 30 20 DBED C=CCCN1C[C@H](NC(=O)CNS(=O)(=O)NC)CC[C@@H]1C 1132199680 LSXUMFUUNBZVJA-NWDGAFQWSA-N 318.443 -0.415 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)Cc2ncc[nH]2)CC[C@@H]1C 1132381401 XUBPINZGROJTJW-STQMWFEESA-N 317.393 -0.329 30 20 DBED C#CCNC(=O)CNC[C@H]1CN(C(=O)c2cnn[nH]2)CC[C@H]1C 1132942082 WHIWEPLUMXYEGG-NEPJUHHUSA-N 318.381 -0.758 30 20 DBED Cc1cc(C(=O)N[C@H](C)C[C@@H](C)NCC(=O)NCC#N)n[nH]1 1133865589 DLNJDKQQAGYUKE-NXEZZACHSA-N 306.370 -0.156 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1cc(C)nn1CC 1134267121 CMMOQFBKBZMOGN-GFCCVEGCSA-N 305.382 -0.331 30 20 DBED C#CCCN[C@@H](C)C[C@H](C)NC(=O)Cn1ccc(O)nc1=O 1134891878 HWGXTJPREZXSOY-RYUDHWBXSA-N 306.366 -0.155 30 20 DBED COCC1(C(=O)N[C@@H](C)C[C@H](C)NCC(=O)NCC#N)CC1 1134974449 JTLAOFJREFEROP-RYUDHWBXSA-N 310.398 -0.074 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CCc2nc[nH]c2C1 1146993992 HSUALEITRDMJPD-NEPJUHHUSA-N 317.393 -0.642 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC2(CCN(CC(=O)NCC)C2)C1 1147445830 LMHMJKNQMYGHAV-HNNXBMFYSA-N 309.410 -0.016 30 20 DBED CN1CC[C@@H](C(=O)N2CC3(CCN(CC(=O)NCC#N)C3)C2)C1 1148748795 YBICUXNKABFKCZ-CYBMUJFWSA-N 319.409 -0.888 30 20 DBED C#Cc1ccccc1CC(=O)NCCN[C@H]1CCC(=O)NC1=O 1149117488 JYWGJLYGKBJNFG-AWEZNQCLSA-N 313.357 -0.279 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H]1CN(CCC=C)CCCO1 1149600108 OKLGHXAGGXOHNA-AWEZNQCLSA-N 307.394 -0.091 30 20 DBED C[C@@]1(C(=O)NC[C@@H]2CN(CC#N)CCCO2)CCNC(=O)C1 1149889342 NMCSRWJYZFTYEC-IUODEOHRSA-N 308.382 -0.367 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)[C@H](C)CS(C)(=O)=O)C1 1150787631 NYRADWNAPINIGT-OLZOCXBDSA-N 316.423 -0.493 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1cc(C(N)=O)cs1 1152590626 SFGGBTQOHXCBDG-UHFFFAOYSA-N 310.379 -0.531 30 20 DBED C=CCNC(=O)NC(=O)CNCCCNC(=O)c1cc(C)[nH]n1 1155191568 MUGLNZSLOWTPDS-UHFFFAOYSA-N 322.369 -0.561 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)C[C@H]1CCN(C)C1 1156374533 RIGZWVASAHJMTI-HUUCEWRRSA-N 322.453 -0.096 30 20 DBED C=C[C@](C)(O)CC(=O)NCCCN[C@H](C)C(=O)NC(=O)NC 1157202869 YWCOIFMARUWJFC-YGRLFVJLSA-N 314.386 -0.747 30 20 DBED C#CCNC(=O)CNCCCNC(=O)COCc1cc(C)on1 1160724422 OFRCMXXXNDDXHQ-UHFFFAOYSA-N 322.365 -0.655 30 20 DBED CC(C)CN1CCC[C@@H]1C(=O)NCCCNCC(=O)NCC#N 1161649816 XPKDWLNWIWXACF-CQSZACIVSA-N 323.441 -0.158 30 20 DBED C=C1CC(C)(C(=O)NCCCNCC(=O)N2CCNC(=O)C2)C1 1166248968 LFTRGVICDBGQRY-UHFFFAOYSA-N 322.409 -0.603 30 20 DBED C=CCNC(=O)CNCCCC[C@H](C)NC(=O)c1cn(C)nn1 1170608025 MAADQVKRVIRYFL-LBPRGKRZSA-N 322.413 -0.005 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)[C@@H]2CCC(=O)N2)C1=O 1171616619 VARVBNSSGXTYHO-RYUDHWBXSA-N 308.382 -0.852 30 20 DBED COCC#CCNCCCCCCNC(=O)Cn1ncnn1 1178490161 HSHXQKMLOMFNGB-UHFFFAOYSA-N 308.386 -0.411 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)CN(C)C(C)=O)C1 1181138911 ZFHPKAPPEHDZSW-DGCLKSJQSA-N 310.398 -0.654 30 20 DBED C=CCNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CCOC2)C1 1181412944 RZMVGBQYKAKKON-VXGBXAGGSA-N 324.381 -0.775 30 20 DBED C#CCCNC[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)C[C@H]1C 1185640772 KMZHWKXTEXAMOV-CHWSQXEVSA-N 320.393 -0.364 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)[C@@H](C2CC2)N(C)C)C1 1190655138 NTJPKGATZNLLBP-GOEBONIOSA-N 320.437 -0.391 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2ccnc(F)c2)C1 1191500942 YBRAIEQAMJXZQJ-VXGBXAGGSA-N 322.340 -0.702 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(Cc2cn(C(C)C)nn2)C[C@H]1O 1191807232 MXVGKXPTCYWOIM-ZIAGYGMSSA-N 323.397 -0.277 30 20 DBED CCC(C)(C)NC(=O)CN1C[C@@H](O)[C@H](NC(=O)C#CC2CC2)C1 1192770755 QSIHZBPYMMJGHV-ZIAGYGMSSA-N 321.421 -0.134 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)c2ccnc(O)c2)CC1 1195474195 VTHLWHYNFUEZCU-UHFFFAOYSA-N 316.361 -0.316 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@H](C)N(C)CC(F)(F)F)C1 1195580769 KCELAUYPQFJLJC-HBNTYKKESA-N 307.316 -0.337 30 20 DBED CC[C@H](C)C(=O)N1CCCO[C@H](CNCC(=O)NCC#N)C1 1199886033 DTFIOXXBRNZPDN-QWHCGFSZSA-N 310.398 -0.121 30 20 DBED N#CCNC[C@@H]1CN(C(=O)c2ccc3nn[nH]c3n2)CCCO1 1200641254 AESZDIBXRGEDFJ-SNVBAGLBSA-N 315.337 -0.303 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)c2ccnnc2)CCCO1 1201494398 SFYWODBNQCMTJI-OAHLLOKOSA-N 318.377 -0.053 30 20 DBED C=CCOCCN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)CNC(N)=O)C2 1203967496 WDUQRABFHREHJM-JHJVBQTASA-N 310.398 -0.174 30 20 DBED CC(C)(O)CC(=O)N1C[C@H]2CC[C@H]1[C@@H](NCC(=O)NCC#N)C2 1204256502 SPKMVMMKFZJUMW-AVGNSLFASA-N 322.409 -0.244 30 20 DBED C=CCNC(=O)CNCC1CCN(C(=O)CC(=O)N(C)C)CC1 1206528386 SKZVNYDRSJBVMU-UHFFFAOYSA-N 324.425 -0.405 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2nccn2CC)[C@H](C)C1 1206907775 PSWPSOFPESRLQI-CHWSQXEVSA-N 317.393 -0.298 30 20 DBED N#CCNC(=O)CN[C@H]1CCCN(C(=O)CCn2cccn2)C1 1207344088 RVHFQMWFTLDSOW-ZDUSSCGKSA-N 318.381 -0.506 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)c2cc(C)n(C)n2)C1 1207545629 CIGMTIRDVWYAFQ-CYBMUJFWSA-N 317.393 -0.328 30 20 DBED COCC#CCN[C@H]1CCCN(C(=O)c2cc(=O)n(C)o2)C1 1207898100 JRHCEVSNDJEIEV-LBPRGKRZSA-N 307.350 -0.178 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)c2cncnc2O)C1 1208392775 FBFNNIKEUCQKJA-LLVKDONJSA-N 317.349 -0.874 30 20 DBED COCC#CCN[C@H]1CCCN(C(=O)c2cc(C(N)=O)c[nH]2)C1 1210316573 XXAHGTCSNISANK-ZDUSSCGKSA-N 318.377 -0.042 30 20 DBED CCS(=O)(=O)N(C)CC(=O)N1CCC[C@@H](NCC#N)C1 1210416270 CSALWBUDFNAGAN-LLVKDONJSA-N 302.400 -0.628 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)c2cocn2)[C@H](OC)C1 1212017206 AZLPUUGBPRNDCG-NQBHXWOUSA-N 322.365 -0.206 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)[C@@H]2CCCN2C)[C@H](OC)C1 1212036180 MEFUOBOUYNTKAQ-HZSPNIEDSA-N 324.425 -0.802 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)/C(C)=C\C)[C@H](OC)C1 1212106707 FIIQODHPCKMRKP-JVZBLKNWSA-N 307.394 -0.094 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2n[nH]c(C)n2)C[C@H]1OC 1212257388 ABGQYLGYKCWLEK-RAIGVLPGSA-N 321.381 -0.533 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](NC[C@@H]2CCOC2)[C@H](C)C1 1214474004 WGCDWHHQMGEWNR-HZSPNIEDSA-N 307.394 -0.401 30 20 DBED C=CCOCC(=O)N1C[C@H]2CCN(CCS(C)(=O)=O)C[C@H]21 1221442998 GIRNJGCDJMADOB-CHWSQXEVSA-N 316.423 -0.234 30 20 DBED C#CCN1CCC(CNC(=O)CC[C@@H]2NC(=O)NC2=O)CC1 1225372662 VTHBCSBSCIVMSV-LBPRGKRZSA-N 306.366 -0.564 30 20 DBED CC#CCN1CCC(CNC(=O)C[C@H]2CC(=O)NC2=O)CC1 1225702014 DZDHZXLWHJFKJM-ZDUSSCGKSA-N 305.378 -0.109 30 20 DBED CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1NCC#N 1226383784 RISNFRQQXGIKPQ-QJPTWQEYSA-N 316.427 -0.145 30 20 DBED CN(C[C@H]1CCN1CC(=O)NCC#N)C(=O)C1=COCCO1 1230654050 LILQLBBWQDDWQP-LLVKDONJSA-N 308.338 -0.953 30 20 DBED COc1nc(C(=O)NCC[C@H](C)NCC(=O)NCC#N)co1 1281739752 AZAYYLDYNFYPOZ-VIFPVBQESA-N 309.326 -0.579 30 20 DBED Cc1cc(NC(=O)C(=O)N[C@H]2CC(=O)N(C)C2)nn1CCC#N 1319912615 ZYSBYXNNDPSLMD-JTQLQIEISA-N 318.337 -0.609 30 20 DBED C#CCN1CCC(C(=O)N2CC(N3CCN(C)CC3)C2)CC1 1321461064 HNYVNEXILWTLAO-UHFFFAOYSA-N 304.438 -0.210 30 20 DBED O=C1CC[C@H](C(=O)NCC#CCNC(=O)[C@@H]2CCC(=O)C2)C1 1327168235 OLROMHUPZWBDJS-TXEJJXNPSA-N 304.346 -0.039 30 20 DBED CS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(C#N)c(F)c1 1329981651 XNJHGHMUGVQQPW-UHFFFAOYSA-N 313.310 -0.203 30 20 DBED C=CCOCc1nnc(N2CCN(C(=O)COC)CC2)n1C 1338395460 RUSHTCCGQUJEDG-UHFFFAOYSA-N 309.370 -0.187 30 20 DBED C=CCC1(O)CCN(C(=O)C(=O)N(C)[C@H]2CCNC2=O)CC1 1345572132 DYRUSGIQSGAFPD-NSHDSACASA-N 309.366 -0.737 30 20 DBED COC(=O)C1(C#N)CCN(CCN2CCCS2(=O)=O)CC1 1365293364 CHLZRDYTULKZKW-UHFFFAOYSA-N 315.395 -0.199 30 20 DBED C[C@@H]1CN(C(=O)CNC2(CNC(=O)[C@H](C)C#N)CC2)CCO1 1367987239 AJITYVFWKSFWQN-VXGBXAGGSA-N 308.382 -0.368 30 20 DBED CNC(=O)CNC[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCO1 1368517282 MCASHOQEZMXUCR-NSHDSACASA-N 305.338 -0.937 30 20 DBED CC[C@@H](CN1CCOCC1)NC(=O)NCCn1cnc(C#N)n1 1369786606 TXXPVCSRLBDNLC-LBPRGKRZSA-N 321.385 -0.440 30 20 DBED COCCn1cc(C(=O)NC[C@@H](C)CNC(=O)[C@@H](C)C#N)nn1 1375716608 UURGJIOZSJUMQH-QWRGUYRKSA-N 322.369 -0.434 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NCC(=O)NC(=O)NC2CC2)CC1 1392889190 JJOGICRODGTHBA-VIFPVBQESA-N 307.354 -0.627 30 20 DBED C[C@H](NC(N)=O)C(=O)N[C@H]1CC[C@H](NC(=O)[C@H](C)C#N)CC1 1399254331 YZDFUTYBDIWLKV-LMLFDSFASA-N 309.370 -0.254 30 20 DBED N#CCC1(O)CN(C(=O)c2ccsc2S(N)(=O)=O)C1 1412034894 UXGSJLWYHYBTOR-UHFFFAOYSA-N 301.349 -0.504 30 20 DBED CC[C@@H]1CN(C(=O)Cn2cc(C#N)c(O)nc2=O)[C@@H](C)CO1 1418312880 SZAOPJRFIZXNTK-GXSJLCMTSA-N 306.322 -0.154 30 20 DBED CCNC(=O)N1CC[C@H](Nc2[nH]c(=O)n(C)c(=O)c2C#N)C1 1421080040 KSZJYBGUWQXMIQ-QMMMGPOBSA-N 306.326 -0.839 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CN(C)C(=O)CCc1cnc[nH]1 1444697224 WJJVKSSURSMNCS-CMPLNLGQSA-N 307.354 -0.563 30 20 DBED Cn1nncc1C(=O)NC1(CNC(=O)c2cc(C#N)c[nH]2)CC1 1458898954 DTUPDWRSMHTWEN-UHFFFAOYSA-N 313.321 -0.293 30 20 DBED CN(C[C@@H](O)CNC(=O)c1c[nH]c(C#N)c1)C(=O)c1cocn1 1488339656 SKDHEXFVAZWXJK-NSHDSACASA-N 317.305 -0.263 30 20 DBED Cc1cc(C(=O)N(C)C[C@@H](O)CNC(=O)[C@@H](C)C#N)ncn1 1488348299 NXOHXWRZTIMFOS-ONGXEEELSA-N 305.338 -0.506 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCNC(=O)c1ccc(C(N)=O)nc1 1496217638 XCEDPQXEYZECNH-VIFPVBQESA-N 303.322 -0.472 30 20 DBED COCC1(C(=O)N(C)C[C@@H](O)CNC(=O)[C@H](C)C#N)CCC1 1511575998 ZCAKUNLLGBQQHQ-NEPJUHHUSA-N 311.382 -0.102 30 20 DBED C#CCNCC(=O)N1CCC(N(C)S(=O)(=O)CC)CC1 1521332679 GBNMHFRYSKUMMO-UHFFFAOYSA-N 301.412 -0.518 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N1CC[C@@]2(CCOC2=O)C1 1527586687 PMGQNUNJTRDDNB-CYBMUJFWSA-N 316.379 -0.064 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)C[C@H]2CCN(C)C2)C1 1566677783 YCIXGFKGSABRAK-ZIAGYGMSSA-N 306.410 -0.732 30 20 DBED C=CCOC[C@H](NC(=O)[C@H](NC(=O)C1CC1)[C@H](C)O)C(=O)O 1573369387 RSJGLSMYYNVTSM-INTQDDNPSA-N 314.338 -0.966 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(C(=O)N2CCNCC2)CC1 1574960632 PTLMBSUZEZMUMH-KGLIPLIRSA-N 322.409 -0.253 30 20 DBED N#Cc1cccc([N+](=O)[O-])c1CN1CC(=O)NCC12CNC2 1580078285 SEUHYEGCMOXYRU-UHFFFAOYSA-N 301.306 -0.260 30 20 DBED CC(C)(C#N)CS(=O)(=O)N1C[C@H]2COC[C@@]2(C(=O)O)C1 1588607488 HBQDIULXNFWSIL-CABZTGNLSA-N 302.352 -0.101 30 20 DBED COC(=O)CN(CC#N)C(=O)c1cc(-c2nn[nH]n2)ccn1 1591267174 SIKYQYBRSBMQCD-UHFFFAOYSA-N 301.266 -0.600 30 20 DBED C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCN1CC#N 1591756151 JWNUQUULPGGEIK-BDAKNGLRSA-N 300.326 -0.089 30 20 DBED N#CCNC(=O)CN1[C@H]2CC[C@H]1CN(C(=O)[C@H]1C[C@@H]1C(=O)O)C2 1601074747 PFRZKSZQBGRWDJ-BJDJZHNGSA-N 320.349 -0.978 30 20 DBED N#Cc1ccc(S(=O)(=O)NC[C@H]2CNC(=O)C2)c(C(=O)O)c1 1601112198 VWWQBCDWOQACPX-SECBINFHSA-N 323.330 -0.329 30 20 DBED CC1(C#N)CCN(C(=O)C(=O)N2C[C@@H](C(=O)O)C[C@@H](O)C2)CC1 1604482037 DKEFADPBNWZBRW-WDEREUQCSA-N 323.349 -0.567 30 20 DBED N#Cc1c(-c2nn[nH]n2)nc(N)n1CCCN1CCCC1=O 1606355420 AWNBXQRSFJOEEA-UHFFFAOYSA-N 301.314 -0.470 30 20 DBED C=CC[C@H](CO)NC(=O)C(=O)Nc1cnn(CC(=O)O)c1C 1609290361 DGEMUEGSVLNAGK-SECBINFHSA-N 310.310 -0.732 30 20 DBED CON=CC(=O)N1CCN(c2cccc(-c3nn[nH]n3)n2)CC1 1609332525 WBRQQVXDCZMCAV-UHFFFAOYSA-N 316.325 -0.458 30 20 DBED C#CCNC(=O)[C@H](C)N(C)CCCNC(=O)c1ccnc(O)c1 1751960083 FCBHLAVWPZOZSE-LBPRGKRZSA-N 318.377 -0.023 30 20 DBED COC1CC(C(=O)N2CC[C@@H](CNCC(=O)NCC#N)C2)C1 1752941055 WRQXOZDJTHEQKT-HIFPTAJRSA-N 308.382 -0.511 30 20 DBED C=CCOCCN1CCC[C@@H]1CNC(=O)C1CC(=O)NC(=O)C1 1753114348 WNEFVVKVKYOVRY-CYBMUJFWSA-N 323.393 -0.178 30 20 DBED CN(CCNCC(=O)NCC#N)C(=O)c1cccc2[nH]ncc12 1753219168 WMUGVRHDCQUJJI-UHFFFAOYSA-N 314.349 -0.136 30 20 DBED C=CCNC(=O)NC(=O)CNC[C@H](C)N(C)C(=O)c1ncc[nH]1 1753688895 FOYXWOGFPJXOFR-JTQLQIEISA-N 322.369 -0.528 30 20 DBED Cc1nnc([C@H](C)NC[C@H](O)CNC(=O)CSCC#N)o1 1753905102 DABHUHIOXYCPJK-WPRPVWTQSA-N 313.383 -0.238 30 20 DBED C#CCNC[C@@H](O)CNC(=O)c1sccc1-n1ccnn1 1753915226 QYUYYHHVJMGCHN-SNVBAGLBSA-N 305.363 -0.358 30 20 DBED C#CCN1CCC[C@](CO)(NC(=O)c2cnc(N(C)C)cn2)C1 1754856884 TXNZWQGZQGHJNO-INIZCTEOSA-N 317.393 -0.268 30 20 DBED COCC#CCNCC[C@H]1CCN(C(=O)CN2CCOCC2)C1 1754911042 QYLRVMBQBGJYJN-INIZCTEOSA-N 323.437 -0.203 30 20 DBED Cn1ccc(CN2CCOC[C@@H]2CNC(=O)CSCC#N)n1 1754963146 AKCFUZQCQVQFOX-ZDUSSCGKSA-N 323.422 -0.006 30 20 DBED C=CC(C)(C)C(=O)N1CCO[C@H](CNCC(=O)NCC#N)C1 1755007628 YSKQBVYZGGUNCC-GFCCVEGCSA-N 308.382 -0.345 30 20 DBED N#CCNC(=O)CN1CC2(C[C@H](NC(=O)[C@H]3CC34CC4)CO2)C1 1755064391 SQJBRFRENGSBFT-NWDGAFQWSA-N 318.377 -0.614 30 20 DBED C[C@@H](NCC(=O)NCC#N)[C@@H](C)NC(=O)c1ncccc1O 1755234996 WZWUEHRHZGYZCJ-NXEZZACHSA-N 305.338 -0.477 30 20 DBED C#CCNC(=O)CN1C[C@H]2CC[C@H]1CN2C(=O)[C@H](C)OCC#C 1755395856 ZXWKLWZQXAAJLH-SOUVJXGZSA-N 317.389 -0.551 30 20 DBED Cn1nc(Cl)c(C(=O)NC[C@H](CO)NCC#N)c1Cl 1755641327 AJVGKCGPVMIPPR-ZCFIWIBFSA-N 306.153 -0.069 30 20 DBED CN(C[C@H](O)CNCC(=O)NCC(C)(C)C)C(=O)C#CC1CC1 1755779164 FHESNARTOOKSBE-CQSZACIVSA-N 323.437 -0.029 30 20 DBED C=CCOCC(=O)N1CCC[C@@H]1CN(C)C(=O)[C@@H]1CCNC1=O 1755909843 FWYGXVFWRNZOLC-CHWSQXEVSA-N 323.393 -0.226 30 20 DBED C=C(C)CCC(=O)N[C@@H](CO)CNC(=O)[C@@H](C)n1cncn1 1756513101 AKLGWBOCHYYLNB-VXGBXAGGSA-N 309.370 -0.211 30 20 DBED C=C[C@@](C)(CC)C(=O)NC[C@H](CO)NC(=O)CNC(=O)NC 1756547927 LXCWQZIWNBUKCP-YGRLFVJLSA-N 314.386 -0.889 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCN(C(=O)c2cc[nH]n2)[C@H]1C 1756555772 OZYZAUNMXNJLIM-WDEREUQCSA-N 317.349 -0.732 30 20 DBED CN(C[C@@H](O)CNC(=O)c1cn(C)nn1)C(=O)C#CC(C)(C)C 1756662215 JVFZJWPBLMYFPV-NSHDSACASA-N 321.381 -0.586 30 20 DBED C[C@@H](C[C@H](C)NC(=O)CCNC(N)=O)NC(=O)C#CC1CC1 1756822643 FTCHUNMVZBWFEE-QWRGUYRKSA-N 308.382 -0.142 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(O)ncn1)CCO2 1783046684 MKPFYWNFKWTTRO-HNNXBMFYSA-N 316.317 -0.741 30 20 DBED CC(C)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783561314 NKFNUOZSXDSKEV-HNNXBMFYSA-N 308.334 -0.440 30 20 DBED N#CC1(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CNC(N)=O)CC1 1804469838 UIQPNNOSJYSJCJ-JGPRNRPPSA-N 319.365 -0.403 30 20 DBED C[C@@](O)(CC(=O)O)CC(=O)N1CC2(CCCN2C(=O)CC#N)C1 1842623795 DIQWGHIQTLPAAM-AWEZNQCLSA-N 323.349 -0.281 30 20 DBED C#CCN(CC(=O)O)S(=O)(=O)c1cc(C(=O)NC)n(C)c1 92479936 LHUFBQUMPUMBRM-UHFFFAOYSA-N 313.335 -0.907 30 20 DBED CCCn1c(N)c(C(=O)CN(C)[C@H](C)CC#N)c(=O)[nH]c1=O 161862667 NGUNJKRMAZFQJA-SECBINFHSA-N 307.354 -0.055 30 20 DBED CC(C)[C@@H](C#N)OC(=O)CCc1nc2c([nH]1)c(=O)[nH]c(=O)n2C 176032759 KAQYNYBJARXYNJ-MRVPVSSYSA-N 319.321 -0.026 30 20 DBED C/N=C(/NCCN1C(=O)CNC1=O)N[C@@H]1CN(C2CC2)C[C@H]1C 261977909 ODPANZYKOSWMEF-ZYHUDNBSSA-N 322.413 -0.814 30 20 DBED CC[C@H](C)/N=C(/NCC(=O)N(C)C)N1CCN(C(C)=O)CC1 262327929 ULSHDOHJPWOKGW-LBPRGKRZSA-N 311.430 -0.017 30 20 DBED N#Cc1cccc(NC(=O)N2CCN3C(=O)C(=O)NC[C@H]3C2)c1 267512073 RFNYZFMGZRBLIE-LBPRGKRZSA-N 313.317 -0.267 30 20 DBED Cc1cc(C/N=C(\N)N2CCOCC2)ccc1S(N)(=O)=O 278000169 OEEVXTGIZAGYFO-UHFFFAOYSA-N 312.395 -0.211 30 20 DBED N#Cc1cncc(S(=O)(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)c1 289427579 IQBKEUMTEBHDLB-ONGXEEELSA-N 310.335 -0.736 30 20 DBED CNS(=O)(=O)CCNS(=O)(=O)c1ccc(C#N)c(F)c1 292743888 VSPMECBWFSFWSM-UHFFFAOYSA-N 321.355 -0.475 30 20 DBED C#CCN(C)CCCNC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O 294050542 UCRMUYBROMVYCS-INIZCTEOSA-N 320.393 -0.222 30 20 DBED Cc1cc(S(=O)(=O)NCC(=O)N2CCNCC2)ccc1C#N 318632514 FIDYFCGOURCGSQ-UHFFFAOYSA-N 322.390 -0.423 30 20 DBED CCS(=O)(=O)N1CCN(/C(O)=N/Cc2ncn(C)n2)CC1 329040543 DINSOZGSRKMKDQ-UHFFFAOYSA-N 316.387 -0.804 30 20 DBED CC[C@H]1CN(C(=O)Cn2cnc(C#N)n2)C[C@@]2(CCOC2)O1 330061490 OJHYHXDIEWVDSQ-SMDDNHRTSA-N 305.338 -0.054 30 20 DBED COC[C@H](C)/N=C(/O)NC(=O)CN1C[C@@H]2OCCN(C)[C@@H]2C1 331148845 BFDGCKFKYWRZMT-TUAOUCFPSA-N 314.386 -0.934 30 20 DBED C=CCN1CC[C@H](N2CCC(S(=O)(=O)NC)CC2)C1=O 337181518 MPYNDCGDTFMSFC-LBPRGKRZSA-N 301.412 -0.213 30 20 DBED COc1ccccc1C(=O)NCC(=O)NCC(=O)NCC#N 344182669 UUGUVNBQDJNFLD-UHFFFAOYSA-N 304.306 -0.819 30 20 DBED CCN(C)S(=O)(=O)CCCS(=O)(=O)N(C)[C@H](C)C#N 349536946 YQRIZGFAVVJHGH-SNVBAGLBSA-N 311.429 -0.168 30 20 DBED CCc1nnc(CNS(=O)(=O)N2CCO[C@H](C#N)C2)s1 352564419 FIBBXYBVSZATOZ-MRVPVSSYSA-N 317.396 -0.341 30 20 DBED COCCN(C)CCN1C[C@H](NC(=O)C(C)(C)C#N)CC1=O 354132796 ZRKHKZZQYHHEJC-GFCCVEGCSA-N 310.398 -0.169 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H]2CCC[C@H](O)C2)C1=O 357140102 ZZIVGBRWQPEZTB-QWRGUYRKSA-N 323.349 -0.370 30 20 DBED C=CCN1CC[C@@H](N2CCC[C@@H](S(=O)(=O)NC)C2)C1=O 366843928 HTSSLFJRTCTKCJ-VXGBXAGGSA-N 301.412 -0.213 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N[C@H]2CNCC[C@@H]2C)nn1 424545250 LNHXXHHGTWKDMN-JQWIXIFHSA-N 306.370 -0.806 30 20 DBED C=CCOC[C@@H](NC(=O)C1(S(C)(=O)=O)CCC1)C(=O)OC 435933018 CVCUBLCZQKOMFN-SNVBAGLBSA-N 319.379 -0.186 30 20 DBED C#CCN1CCN(C(=O)CN[C@H](C)[C@H](C)C(=O)OCC)CC1 491192535 PRHAXTPHUCWKBL-UONOGXRCSA-N 309.410 -0.059 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)Nc1c(C(=O)OC)cnn1C 491208948 AXBHNEOPTGZBAV-UHFFFAOYSA-N 316.317 -0.370 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)C[C@@H](C)n2ccnc2)CC1 491726756 AQMPJTVOLGIQQW-CQSZACIVSA-N 317.393 -0.272 30 20 DBED C#C[C@H](C)N(C)C(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 491765504 DKAXADFIUVGONT-SDDRHHMPSA-N 312.391 -0.498 30 20 DBED C#CCNC(=O)CN1CCN(CCn2cc(Cl)cn2)CC1 491812747 ISORNLMGVIRVLV-UHFFFAOYSA-N 309.801 -0.097 30 20 DBED COC(=O)c1cccc([C@H](NCC(=O)NCC#N)C(=O)OC)c1 507220985 COUKVDFPJIGKMP-ZDUSSCGKSA-N 319.317 -0.083 30 20 DBED C=CCNC(=O)NC(=O)CN(CC(=O)OC)C1CCOCC1 524752931 GHAORVWWPGNHKD-UHFFFAOYSA-N 313.354 -0.348 30 20 DBED CNS(=O)(=O)N1CCN(C(=O)Nc2cccc(C#N)n2)CC1 566736533 DWYBBNNZDFZXEJ-UHFFFAOYSA-N 324.366 -0.433 30 20 DBED C=CCOC[C@@H](NS(=O)(=O)N1C[C@H](C)O[C@H](C)C1)C(=O)O 567809444 UOYFMZGSWVOEJM-OUAUKWLOSA-N 322.383 -0.414 30 20 DBED Cc1cc(NC(=O)C(=O)N2CC(=O)N[C@H](C)C2)ncc1C#N 584300508 SSLIUVKCFMGASZ-SECBINFHSA-N 301.306 -0.453 30 20 DBED CC(C)[C@H](C#N)N1CCN(C(=O)CN2C[C@H]3CNC[C@@H]3C2)CC1 611371253 SEXLUDFPNMIUGI-OAGGEKHMSA-N 319.453 -0.170 30 20 DBED CC#CC[C@@H](CO)NC(=O)C(=O)Nc1cncnc1N(C)C 646951971 VCJHTYAKLBFHJB-JTQLQIEISA-N 305.338 -0.628 30 20 DBED C#CC[C@@H](CO)NC(=O)CCNS(=O)(=O)c1cccs1 717771085 WMWKPGKNHLDKPL-JTQLQIEISA-N 316.404 -0.083 30 20 DBED C[C@H](C(=O)OCC(=O)NCC#N)N1C(=O)NC2(CCCC2)C1=O 731243156 DBYOLOHEKKWLOG-SECBINFHSA-N 322.321 -0.578 30 20 DBED C=CCNC(=O)[C@H](C)OC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 751680518 UNDXIGKRIIACEK-VHSXEESVSA-N 306.322 -0.004 30 20 DBED Cn1c(C=NNc2ncc(F)cn2)nc2c1c(O)nc(=O)n2C 760247422 OXMCJMSTSJJMSJ-UHFFFAOYSA-N 318.272 -0.252 30 20 DBED N#CC1(CS(=O)(=O)NC(=O)c2c[nH]c(C(N)=O)c2)CCC1 771078206 RPIWCJJIJPDRQO-UHFFFAOYSA-N 310.335 -0.133 30 20 DBED N#Cc1ccc(NCCNC(=O)C(=O)NC[C@@H]2CCCO2)nc1 774458334 FFKKTVNKTQAWQB-LBPRGKRZSA-N 317.349 -0.223 30 20 DBED C#C[C@H](NC(=O)[C@H]1CCCN1C(=O)CNC(C)=O)[C@@H]1CCCO1 775343522 YRALPBZRYQHIIK-MJBXVCDLSA-N 321.377 -0.590 30 20 DBED C#CCOCCC(=O)N1CC[C@H](C(=O)OC)C[C@@H]1C(=O)OC 780137866 RFBMIJBXRQBOAE-NWDGAFQWSA-N 311.334 -0.021 30 20 DBED CCN(C[C@@H](C)C#N)C(=O)COC(=O)Cn1ncn(C)c1=O 781267660 VSTRCCBUDFFSPP-JTQLQIEISA-N 309.326 -0.867 30 20 DBED C=CCS(=O)(=O)CCNS(=O)(=O)C[C@@H]1CCCOC1 792765806 BOWCHYDCUYTDKM-LLVKDONJSA-N 311.425 -0.067 30 20 DBED C#CCC[C@H](O)CNC(=O)c1ccc(S(N)(=O)=O)s1 799073985 XXRUAFPSYAESIC-QMMMGPOBSA-N 302.377 -0.100 30 20 DBED C#CCCS(=O)(=O)N1CCN(CC(=O)NCCCC)CC1 808279246 ZCHWZEVDQSACAZ-UHFFFAOYSA-N 315.439 -0.127 30 20 DBED C#CCCS(=O)(=O)N[C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O 808298903 BJTPEEAOAKTNIE-PWSUYJOCSA-N 310.379 -0.143 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@@H]1CCC[C@@H]1CCO)[C@H]1CCCO1 809306064 MUFFJFDOWPNSLX-XJFOESAGSA-N 308.378 -0.049 30 20 DBED CC(=NNC[C@H](C)O)c1ccc(S(=O)(=O)CC(N)=O)cc1 814965877 PQQOQQFOMHTDMN-VIFPVBQESA-N 313.379 -0.360 30 20 DBED CC(C)C#CC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 822466759 MBLJHQNIOAMOFG-UHFFFAOYSA-N 305.378 -0.061 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](CC)OCC)CC1 831561363 WWBRUVCPWQWEFH-GFCCVEGCSA-N 317.411 -0.587 30 20 DBED C[C@@H](CN)CNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 834341187 OSFZLCDTNQFHKM-JTQLQIEISA-N 324.406 -0.174 30 20 DBED O=C(C#CC1CCNCC1)N1CCN(C(=O)[C@H]2CCCO2)CC1 852802393 OHNXITSNFZTTLD-OAHLLOKOSA-N 319.405 -0.161 30 20 DBED C#CCNC(=O)CN1CCN(c2cc(C#N)nc(CC)n2)CC1 853266894 VVMBQILFNATDER-UHFFFAOYSA-N 312.377 -0.218 30 20 DBED CCN(CCN)C(=O)C(=O)NCc1ccc(OC)c(C#N)c1 861758140 BZTOHTPITCGNOE-UHFFFAOYSA-N 304.350 -0.010 30 20 DBED C#CC[C@H](NC(=O)[C@H](CCSC)NC(N)=O)C(=O)OC 861951405 XPGHLTKRECASJZ-IUCAKERBSA-N 301.368 -0.543 30 20 DBED C=C[C@](C)(O)C(=O)NC[C@H]1CN(C(=O)[C@](C)(O)C=C)CCO1 871460650 BGIASMRCCOKNEC-TUKIKUTGSA-N 312.366 -0.796 30 20 DBED Cn1cc(C(=O)N2CC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)nn1 939930301 SFCWJMUZALSLNU-SNVBAGLBSA-N 313.321 -0.341 30 20 DBED C#Cc1cncc(C(=O)NC[C@H]2CCCN2C(=O)CC(N)=O)c1 943922895 GPHKEBXXHZIRKH-CYBMUJFWSA-N 314.345 -0.341 30 20 DBED Cc1nonc1C(=O)NC[C@@H]1CN(C(=O)[C@@H](C)C#N)CCO1 944654609 PPCLOPVHVQZJPB-WCBMZHEXSA-N 307.310 -0.505 30 20 DBED C[C@@H]1C[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)CCN1CC#N 947925390 OZMLSADMMZRJAH-MNOVXSKESA-N 307.354 -0.627 30 20 DBED C#CCCN1CCC[C@H](N(C)C(=O)C[C@@H]2NC(=O)NC2=O)CC1 948445148 ULBGMBAAMMKBTD-STQMWFEESA-N 320.393 -0.079 30 20 DBED Cn1cc(C(=O)N2CC[C@H]2CNC(=O)c2ccc(C#N)[nH]2)nn1 949452984 VMJXWBJOIUGJOD-JTQLQIEISA-N 313.321 -0.341 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]1CNC(=O)c1ccn2nnnc2c1 951455959 ZACMOJRWKKEPTD-ONGXEEELSA-N 313.321 -0.385 30 20 DBED C=C(Cl)CN1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)CC1 957686005 ZUIYBUKUFSFSME-SNVBAGLBSA-N 307.803 -0.425 30 20 DBED Cc1cc(C)c(C(=O)NC[C@H]2CN(CC#N)C[C@@H]2O)c(O)n1 958300167 MAINGKVNIYNHBU-RYUDHWBXSA-N 304.350 -0.050 30 20 DBED CC#CCN1C[C@H](O)[C@H](CNC(=O)C2CCN(C(N)=O)CC2)C1 958656890 AMAUIKHABFIBPG-KGLIPLIRSA-N 322.409 -0.791 30 20 DBED Cc1nc(C(=O)N(C)[C@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)co1 958831553 UJXJSQACSOUVCY-UWJYBYFXSA-N 306.322 -0.214 30 20 DBED Cc1ccn(CC(=O)N(C)[C@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)n1 958966672 VSHMKYFXVZHKAS-DRZSPHRISA-N 319.365 -0.619 30 20 DBED C=CCN1CC[C@H](N[C@@H]2CCN(C(=O)C3=COCCO3)C2)C1=O 966708952 JYFAIZYTTFYRMJ-OLZOCXBDSA-N 321.377 -0.148 30 20 DBED CC#CCN1CC[C@H](C)[C@H](NC(=O)Cn2ccc(O)nc2=O)C1 967268885 ONGDYRHEJKBRML-QWHCGFSZSA-N 318.377 -0.201 30 20 DBED CN(CC#N)[C@@H]1CCN(C(=O)Cn2nc3ccccn3c2=O)C1 972044980 LQIZDXMSKVGUHN-GFCCVEGCSA-N 314.349 -0.448 30 20 DBED COc1cc(C(=O)N2CC[C@@]3(CN(CC#N)CCO3)C2)nn1C 972460231 CKLPIWBNKMYXOP-OAHLLOKOSA-N 319.365 -0.131 30 20 DBED CC(=O)N1CCC[C@H]1C(=O)N1CC[C@@]2(CN(CC#N)CCO2)C1 972642263 GHKWMYFKMCJJIF-GOEBONIOSA-N 320.393 -0.176 30 20 DBED Cc1nnc(CC(=O)N[C@H]2[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]32)o1 976463413 KZOIGGSLKIEGIN-ATCWAGBWSA-N 314.345 -0.093 30 20 DBED O=C(C[C@H]1CCNC1=O)N[C@H]1[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]21 976632642 JTQNVAXFVRHFKP-FOCJUVANSA-N 315.373 -0.501 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)[C@H]3CCCNC3=O)[C@H]2C1 976674297 LGRMLGPQFWDPTH-LVEVGFFFSA-N 304.350 -0.755 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)[C@@H]3CCC(=O)N3C)[C@H]2C1 976987654 BKQSGCVBLSGLNL-XPORZQOISA-N 304.350 -0.660 30 20 DBED C=CCCN1C[C@@H](NC(=O)CN2CC(=O)NC2=O)C(C)(C)C1 977360875 GLAYUCAXRSZQTP-LLVKDONJSA-N 308.382 -0.059 30 20 DBED C#CCCN1C[C@H](NC(=O)CN2CCC(=O)NC2=O)C(C)(C)C1 977452743 UCTDEBWEKRVAHG-LBPRGKRZSA-N 320.393 -0.222 30 20 DBED CN(C[C@H]1CCN1C(=O)CC(N)=O)C(=O)c1c[nH]c(C#N)c1 977585215 OSMBAVAAVDDNRX-LLVKDONJSA-N 303.322 -0.565 30 20 DBED C[C@H](C#N)C(=O)N1CCC(N(C)[C@@H]2CCC(=O)NC2=O)CC1 985338679 LNMIZSDYZIQZKX-ZYHUDNBSSA-N 306.366 -0.126 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)c3nnn(C)n3)C[C@H]2C1 986599803 WNQMVUATORFMER-AXFHLTTASA-N 317.353 -0.710 30 20 DBED CN(C[C@@H]1CCN(C(=O)CC(N)=O)C1)C(=O)c1ccc(C#N)[nH]1 987844839 BYKLKEYILOQHPQ-JTQLQIEISA-N 317.349 -0.318 30 20 DBED COC(=O)[C@@H]1C[C@@H]1C(=O)NC1CN(C(=O)c2ccc(C#N)[nH]2)C1 990469180 NTWHPGHDXVDALT-WDEREUQCSA-N 316.317 -0.364 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2CN(C)CCO2)C1 990629595 JHCSEYUNNYQVRJ-HZSPNIEDSA-N 323.393 -0.765 30 20 DBED C#Cc1cncc(C(=O)N2CC(NC(=O)[C@H]3COC(=O)N3)C2)c1 991125938 MZLFCEISGORMAO-GFCCVEGCSA-N 314.301 -0.888 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN(C(=O)c2[nH]nnc2C)C1 994753518 HPSXDHFELXCKGS-LBPRGKRZSA-N 316.365 -0.849 30 20 DBED C=C(Cl)CNC1CCN(C(=O)Cn2ncn(C)c2=O)CC1 996737981 ANPROHJPFIUKMP-UHFFFAOYSA-N 313.789 -0.085 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C2)cn1 997084108 WHPVTIBZRUDSRD-FICVDOATSA-N 311.341 -0.104 30 20 DBED C#CCN1CCC(C(=O)N2CC(NC(=O)c3cnon3)C2)CC1 998238210 DSYYICDJYAPONL-UHFFFAOYSA-N 317.349 -0.645 30 20 DBED Cn1ncc(C(=O)N2CC(CNC(=O)c3cc(C#N)c[nH]3)C2)n1 1001342013 NRLIALOMMNZLGH-UHFFFAOYSA-N 313.321 -0.483 30 20 DBED CN(C[C@@H]1CCCN1C(=O)C#CC1CC1)C(=O)[C@@H]1CNC(=O)N1 1002490431 YRUAXBWBQHWYIQ-STQMWFEESA-N 318.377 -0.469 30 20 DBED C[C@H](NC(=O)C1CS(=O)(=O)C1)C1CN(C(=O)[C@H](C)C#N)C1 1006144692 PJMBHCIOQPTRAG-BDAKNGLRSA-N 313.379 -0.846 30 20 DBED C[C@H](C#N)C(=O)N1CCCC2(CN(C(=O)Cn3nccn3)C2)C1 1010675768 VTQRSHWFNHEDNH-GFCCVEGCSA-N 316.365 -0.111 30 20 DBED N#Cc1c[nH]c(C(=O)N2CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)c1 1010921306 YORCIKPXMYJMHV-NSHDSACASA-N 315.333 -0.551 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](C)O[C@]2(CCN(C(=O)C(N)=O)C2)C1 1017842941 MACYEROHXAZOAQ-ZBEGNZNMSA-N 323.393 -0.098 30 20 DBED N#CCN[C@H]1C[C@H](NC(=O)c2cn(C[C@@H]3CCOC3)nn2)C1 1020841251 FGMKBSZJMOQCPS-SRVKXCTJSA-N 304.354 -0.311 30 20 DBED CC(C)(O)CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 1023328188 XAGTZKFXZNCGAM-VXGBXAGGSA-N 320.349 -0.651 30 20 DBED CN(C)C(=O)Cn1cc(C(=O)NC[C@@H]2CCCN2CC#N)nn1 1028334759 HTVDENWQAIBZTB-NSHDSACASA-N 319.369 -0.916 30 20 DBED C#CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 1032401002 CCBDFBRMCPOREB-AVGNSLFASA-N 313.361 -0.319 30 20 DBED C=CCCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1nccnc1C(N)=O 1037722789 PTLFLFXGTVNUTP-OUAUKWLOSA-N 301.350 -0.046 30 20 DBED C#CCCCC(=O)NC[C@]1(O)CCN(C(=O)CNC(=O)CC)C1 1039572851 COXGLPSNZGGDOY-MRXNPFEDSA-N 323.393 -0.604 30 20 DBED CC(C)C#CC(=O)NC[C@]1(O)CCN(C(=O)[C@H]2CCOC2)C1 1039664122 KJUCVIREPWTTBN-XJKSGUPXSA-N 308.378 -0.238 30 20 DBED CC(C)C#CC(=O)NC[C@]1(O)CCN(C(=O)Cc2cnoc2)C1 1039665385 KXRFKGXEGSKGKD-MRXNPFEDSA-N 319.361 -0.044 30 20 DBED CC(C)(C)C#CC(=O)NC[C@]1(O)CCN(C(=O)c2cnon2)C1 1039691889 KOYAFEXNFCIEOG-OAHLLOKOSA-N 320.349 -0.188 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@@](O)(CNC(=O)c2cnco2)C1 1040392316 LLQCUHNPRXEAEQ-IAQYHMDHSA-N 321.333 -0.594 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@](O)(CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 1040932984 MRXKOAWXSPCYLI-GDLVEWKHSA-N 323.393 -0.600 30 20 DBED Cc1ccn(CC(=O)NC[C@@]2(O)CCN(C(=O)[C@@H](C)C#N)C2)n1 1040940023 DKRPWRRCPAKTNG-NHYWBVRUSA-N 319.365 -0.569 30 20 DBED O=C(Cc1cnc[nH]1)NC[C@]1(O)CCN(C(=O)C#CC2CC2)C1 1041034322 BPZQSMWJYBLHKM-MRXNPFEDSA-N 316.361 -0.555 30 20 DBED CCc1n[nH]cc1C(=O)N1CC(O)(CNC(=O)C#CC(C)C)C1 1042943754 XETDYOGPGYSDMW-UHFFFAOYSA-N 318.377 -0.065 30 20 DBED COC1CC(C(=O)NCC2(O)CN(C(=O)C#CC3CC3)C2)C1 1043491826 OZBXXTSWUWMQGB-UHFFFAOYSA-N 306.362 -0.486 30 20 DBED C=CCCOCC(=O)NCC1(O)CN(C(=O)[C@@H]2CC2(F)F)C1 1043568842 PHIFAPCZOBCCFG-JTQLQIEISA-N 318.320 -0.076 30 20 DBED COc1ccc(CN2CC(N(C)C(=O)C(N)=O)C2)cc1C#N 1043712988 CEFUBSQAJKALFP-UHFFFAOYSA-N 302.334 -0.305 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)c2[nH]cnc2CC)C1 1044700777 UEXYRHKHUGTOQE-UHFFFAOYSA-N 322.365 -0.522 30 20 DBED Cc1cncn1CC(=O)N1CCN([C@H]2CCN(CC#N)C2)CC1 1046043445 GAEAUBLEFZVQCN-HNNXBMFYSA-N 316.409 -0.066 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H]2C[C@H](NC(=O)COC)C[C@H]1C2 1047217639 YUDKQQAPOOTGGR-RWMBFGLXSA-N 321.377 -0.732 30 20 DBED CN(C(=O)C(N)=O)[C@H]1CN(Cc2ccc(C#N)c(F)c2)C[C@@H]1O 1047506873 IPPPLFHVARTWAM-STQMWFEESA-N 320.324 -0.814 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3nc[nH]c3C2)C1 1047589434 INBCTBKWQREMCE-CQDKDKBSSA-N 302.378 -0.349 30 20 DBED C#Cc1ccc(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)COC)C2)cc1 1048027835 QKIZUJIQCRZLSN-GJZGRUSLSA-N 316.357 -0.042 30 20 DBED CC#CCN1C[C@H]2CN(C(=O)c3cc(=O)n(C)cn3)C[C@H]2C1 1048871269 ZKCBXIUSVOYHRF-BETUJISGSA-N 300.362 -0.193 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CN2CCCC2)C1 1048873267 DEMZZMFLZHIVQM-GJZGRUSLSA-N 321.421 -0.228 30 20 DBED C#CCN1C[C@H]2CN(C(=O)C3CC4(C3)CS(=O)(=O)C4)C[C@H]2C1 1048890956 FYVYWYDBYLZEDW-OKILXGFUSA-N 322.430 -0.165 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)[C@@H]1CCS(=O)(=O)C1)C2 1050585445 JGJYFOGUYBIAQZ-CYBMUJFWSA-N 310.419 -0.021 30 20 DBED CC(C)C#CC(=O)N1CC[C@@H]([C@@H](C)NC(=O)Cn2cnnn2)C1 1050640847 HHTFJTOADQXEFO-CHWSQXEVSA-N 318.381 -0.314 30 20 DBED C#CCOCCC(=O)N1CC[C@H]([C@H](C)NC(=O)CC(=O)NC)C1 1050728683 MQTCTCRGJMNOPY-STQMWFEESA-N 323.393 -0.484 30 20 DBED N#Cc1cnccc1N1CC[C@H](NC(=O)c2cnn[nH]2)[C@@H](O)C1 1051805001 BINVCEHWERNFDT-GWCFXTLKSA-N 313.321 -0.559 30 20 DBED C#CCN1CCN([C@H]2CCN(C(=O)[C@@]34COC[C@@H]3C4)C2)CC1 1052031885 ZVGWWBLVEMQWKR-ZOBUZTSGSA-N 303.406 -0.125 30 20 DBED N#Cc1nc(=NC2CC(CNC(=O)[C@@H]3CCNC3=O)C2)cc[nH]1 1052046779 KEFXTMQSZNYEPV-VQXHTEKXSA-N 314.349 -0.787 30 20 DBED C[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1CNC(=O)Cn1cncn1 1052554832 SICQJACNBIWPNP-GXTWGEPZSA-N 315.377 -0.098 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC2(CN(CCS(C)(=O)=O)C2)C1 1053192246 YYCDFTFURWEZPD-NSHDSACASA-N 315.395 -0.896 30 20 DBED CC(=O)N1CC[C@@H](C(=O)N2CCOC3(CN(CC#N)C3)C2)C1 1053519879 BBHHFAOJUHEKRO-CYBMUJFWSA-N 306.366 -0.708 30 20 DBED C#CCN1CC2(CC[C@H](CNC(=O)[C@H]3CCN(C)C3=O)O2)C1 1053642926 OYXVQGPAFLAIAH-CHWSQXEVSA-N 305.378 -0.553 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)c3cc(=O)n(C)o3)CO2)C1 1053786118 AZBXVFGLLGBMDX-NSHDSACASA-N 305.334 -0.425 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@](CO)(NC(=O)c2cnon2)C1 1056073326 VORJVMVXOSXBDW-ZANVPECISA-N 307.310 -0.687 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@](CO)(NC(=O)c2cccnn2)C1 1056076343 HFHPZOQLYXUQOB-ABAIWWIYSA-N 317.349 -0.280 30 20 DBED Cn1ccc(CC(=O)N[C@H]2[C@@H]3CN(c4cnc(C#N)cn4)C[C@@H]32)n1 1056201188 AOTLQQUBKWLEAB-VIKVFOODSA-N 323.360 -0.125 30 20 DBED C=CCOCC(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)CNC(C)=O 1056315190 YCXDDTWPWYOPLD-ZIAGYGMSSA-N 323.393 -0.083 30 20 DBED N#Cc1nccnc1N1C[C@H]2[C@H](NC(=O)c3cncnc3O)[C@H]2C1 1056330372 OXCQWTIFFJBFAI-IAZYJMLFSA-N 323.316 -0.292 30 20 DBED Cc1[nH]nc(C(=O)N2CC[C@@H](N=c3cc[nH]c(C#N)n3)C2)c1O 1056611678 ZYANJUHZNSIVHP-SECBINFHSA-N 313.321 -0.166 30 20 DBED C=CCCOCC(=O)NCCN(CCO)C(=O)CC(C)(C)O 1057463267 QSASZLOJJDJCFN-UHFFFAOYSA-N 316.398 -0.323 30 20 DBED C=CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)CC(C)(C)O 1057463474 YEVANJZKZXDMQH-LBPRGKRZSA-N 316.398 -0.324 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)[C@@H]1CN2CCC1CC2 1057675194 KZPLBJGTCUPWIN-TZMCWYRMSA-N 322.409 -0.575 30 20 DBED N#Cc1nc(=N[C@@H]2CCCN(C(=O)[C@H]3CCNC3=O)C2)cc[nH]1 1057724050 FCHKKASDTYLIHE-MNOVXSKESA-N 314.349 -0.691 30 20 DBED C=C[C@@H](CC)CC(=O)N(CCO)CCNC(=O)c1nnn(C)n1 1058472222 OLHXZQXCCRGIFB-NSHDSACASA-N 324.385 -0.637 30 20 DBED C=C[C@H](C(=O)NCCN(CCO)C(=O)C(N)=O)c1ccccc1 1058641468 AVDOVTMFWDQMAM-ZDUSSCGKSA-N 319.361 -0.621 30 20 DBED C=CCOCC(=O)NC[C@@H]1COCCN1C(=O)Cc1ncc[nH]1 1061425514 DDPCIRZNZZJZHZ-GFCCVEGCSA-N 322.365 -0.502 30 20 DBED Cn1cc(C(=O)NC[C@@H]2CCN(c3ccc(C#N)nn3)C2)nn1 1061583603 YDAZVGHGUOICFT-JTQLQIEISA-N 312.337 -0.267 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)CCc1cnc[nH]1 1061852896 NUGZREBTQQJAPE-AAEUAGOBSA-N 319.365 -0.154 30 20 DBED C[C@H]1CCCN(C(=O)C(N)=O)[C@@H]1CNc1cncc(C#N)n1 1063957818 YENWKIUKHKLNET-GXSJLCMTSA-N 302.338 -0.127 30 20 DBED C=CCOCC(=O)N1CCO[C@H](CNC(=O)c2cc(C)[nH]n2)C1 1064977888 YHWUDJGQTAYJHC-GFCCVEGCSA-N 322.365 -0.122 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2ncccn2)CCO1 1065511850 LSUJJOHRHSXVRY-LBPRGKRZSA-N 320.349 -0.364 30 20 DBED CC(C)C#CC(=O)N[C@H]1CCCN(C(=O)CNC(N)=O)CC1 1066143281 ZROXENQCPJHIBX-LBPRGKRZSA-N 308.382 -0.189 30 20 DBED N#Cc1cnc(N2C[C@@H](O)[C@@H](CNC(=O)c3cc[nH]c3)C2)cn1 1067695611 MZAJKXDRMKTNLI-WCQYABFASA-N 312.333 -0.097 30 20 DBED N#Cc1cnccc1N1CCO[C@@]2(CCN(C(=O)C(N)=O)C2)C1 1068084024 SINYMRYPMDWZRG-HNNXBMFYSA-N 315.333 -0.754 30 20 DBED C#CCNC(=O)CC(=O)N1CC2(CC[C@@H](CNC(=O)CC)O2)C1 1068471911 DBQGPBADRCVCPB-LBPRGKRZSA-N 321.377 -0.588 30 20 DBED Cc1cc(C#N)nc(N[C@@H]2CCN(C(=O)CC(N)=O)[C@H]2C)n1 1068808173 VNMFAMKTVKHTNO-GXSJLCMTSA-N 302.338 -0.067 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(C[C@@H](NC(=O)C(C)(C)C(N)=O)CO2)C1 1068908066 UICWRBRGAWAEHL-VHSXEESVSA-N 322.365 -0.856 30 20 DBED CC(C)(C)C#CC(=O)N1CC2(C[C@H](NC(=O)C(N)=O)CO2)C1 1068994682 NADWETAPFKRDMD-JTQLQIEISA-N 307.350 -0.993 30 20 DBED N#Cc1nccnc1N1CC[C@@]2(NC(=O)C(N)=O)CCC[C@H]12 1069282629 PBYNQFRQNDEHMG-HZMBPMFUSA-N 300.322 -0.549 30 20 DBED C=CCN[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1c1cncn1C 1070690658 FNEUIDIGTGZUOE-YVECIDJPSA-N 317.393 -0.389 30 20 DBED N#CCN1C[C@H]2C[C@@H]3CN(C(=O)[C@H]4CCNC(=O)C4)C[C@@]3(C1)O2 1070785235 NTFLOCZYNFPJFY-VPWBDBDCSA-N 318.377 -0.662 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)[C@H]2C[C@H]2OCC)CC1 1070940480 IGUKYQKYTZDCIA-UONOGXRCSA-N 307.394 -0.305 30 20 DBED N#CCN1CCNC(=O)CCN(C(=O)C[C@H]2CCCO2)CC1 1070942239 VNBRFIAPEICPHD-CYBMUJFWSA-N 308.382 -0.270 30 20 DBED CC#CCN1CCNC(=O)CCN(C(=O)[C@@]23COC[C@@H]2C3)CC1 1070965408 ABFVCEUDKVBNLO-YOEHRIQHSA-N 319.405 -0.303 30 20 DBED C#CCOCCC(=O)N[C@H]1CN(C(=O)CNC(C)=O)C[C@H]1C 1071509310 BJHXECWGBGHKIP-YPMHNXCESA-N 309.366 -0.875 30 20 DBED CC(C)C#CC(=O)N[C@H]1CN(C(=O)CS(C)(=O)=O)C[C@@H]1C 1071725937 FHYYUYBCFCNTQT-RYUDHWBXSA-N 314.407 -0.347 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](NC(=O)C2CC2)[C@@H](C)C1 1073612115 IILPQMAGWVMQFE-AAEUAGOBSA-N 305.378 -0.111 30 20 DBED CC(C)C#CC(=O)N1CC[C@H](NC(=O)Cn2cnnn2)[C@H](C)C1 1073692695 PWPAOZNTQATVHJ-OLZOCXBDSA-N 318.381 -0.314 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)c2cncc(C(N)=O)c2)C1 1073893086 JLHWAQGJLXFVGT-AWEZNQCLSA-N 316.361 -0.366 30 20 DBED C=C(Cl)CN1CCO[C@@H]2CCN(C(=O)CC(N)=O)C[C@@H]21 1074199462 CDTFWXCJGMGOFL-WDEREUQCSA-N 301.774 -0.084 30 20 DBED C=CCOCC(=O)N1CC[C@H](NC(=O)CNC(N)=O)C[C@H]1C 1074819396 SLYIOTONBQMDCB-MNOVXSKESA-N 312.370 -0.647 30 20 DBED C=CCOCC(=O)NCC[C@H](C)NC(=O)[C@@H](C)S(C)(=O)=O 1075922549 XLZNPYGNKOEVLH-WDEREUQCSA-N 320.411 -0.367 30 20 DBED C#CCO[C@@H](C)C(=O)NCC[C@H](C)NC(=O)c1cncnc1O 1076510858 WKCVGDDYOSCSRK-QWRGUYRKSA-N 320.349 -0.155 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)c2c(OC)ccnc2OC)C1 1077372390 GQFBEVPTTZSXQN-VXGBXAGGSA-N 319.361 -0.103 30 20 DBED O=C(C#CC1CC1)N1CCCO[C@H](CNCc2nc(O)n[nH]2)C1 1078398829 ULJFWPHJDPSUER-GFCCVEGCSA-N 319.365 -0.369 30 20 DBED CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)[C@H](C)S(C)(=O)=O)C1 1080421755 PBFVFNZSZLITFD-UWVGGRQHSA-N 315.395 -0.362 30 20 DBED C[C@@H](C#N)C(=O)NC1(CO)CCN(C(=O)Cc2cnc[nH]2)CC1 1080981584 HRKLVDADOGWUBM-NSHDSACASA-N 319.365 -0.418 30 20 DBED C#Cc1ccc(C(=O)N2C[C@@H](O)[C@H](CNC(=O)COC)C2)nc1 1081180377 DLZWLRBPGGXPAG-TZMCWYRMSA-N 317.345 -0.742 30 20 DBED CC#CCN1C[C@@H](NC(=O)C(=O)N2CC[C@@H](C)C2)[C@H](OC)C1 1082313485 GQSIHPUNOSAOBA-MGPQQGTHSA-N 307.394 -0.307 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CCc1ccnn1C 1083097168 RMMGEZZBAYVSGH-LSDHHAIUSA-N 302.378 -0.103 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CCc1cn(C)nn1 1083292492 IMDVTWURSILAOM-UONOGXRCSA-N 303.366 -0.708 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)c2c[nH]nc2[C@@H]2CCOC2)C1 1083674127 OAHVFWNGMJRNKH-BNOWGMLFSA-N 318.377 -0.288 30 20 DBED Cc1ncc2n1CC[C@H](C(=O)N[C@@H]1CN(CC#N)C[C@@H]1O)C2 1083780544 BXUVIWYJWMBJIE-YUTCNCBUSA-N 303.366 -0.561 30 20 DBED CN(C[C@H]1CCN1Cc1nnn(C)n1)C(=O)c1ccc(C#N)[nH]1 1085553604 QRHKTPLVACLATC-LLVKDONJSA-N 314.353 -0.244 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H]1C[C@H](N[C@@H]2CCNC2=O)C1 1086390180 FVCFPACAVPKXNW-TUVASFSCSA-N 318.421 -0.543 30 20 DBED C#CCCN1C[C@H]2CC[C@H]1[C@@H]1CN(C(=O)Cn3ncnn3)C[C@@H]21 1087358147 CEODFJLYKXMKFA-BARDWOONSA-N 314.393 -0.135 30 20 DBED C#CCN1C[C@H]2CC[C@H]1[C@@H]1CN(C(=O)Cn3ncnn3)C[C@H]21 1087358242 DBMAKFQKPDZGSW-SYQHCUMBSA-N 300.366 -0.525 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(CC(=O)NC)[C@@H]1CC 1087607005 FRTPVVOPLIFQEU-ZNMIVQPWSA-N 320.437 -0.201 30 20 DBED C=CCN[C@H]1CCCCCN(C(=O)Cn2cnc(C(N)=O)n2)C1 1088316178 SQLQTJKKUCBWJG-LBPRGKRZSA-N 320.397 -0.076 30 20 DBED C[C@@H](C[C@@H](C)Nc1nccnc1C#N)NC(=O)Cn1ncnn1 1089400732 PHRXSDAEHCSHCJ-VHSXEESVSA-N 315.341 -0.270 30 20 DBED C=C(C)CCN1CC[C@H](NC(=O)Cn2ncn(C)c2=O)[C@H](O)C1 1090373134 FNLVPYFXFWXASI-QWHCGFSZSA-N 323.397 -0.901 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2ccc(N(C)C)nc2)[C@H](O)C1 1090385809 SJHARDRFGJJYPU-ZIAGYGMSSA-N 302.378 -0.054 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1O 1090490498 UKPVUFIMKKRTQY-MRVWCRGKSA-N 314.345 -0.343 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)C2CC(=O)NC(=O)C2)[C@@H](O)C1 1090636511 BBQQVFFMMXPRSK-NEPJUHHUSA-N 309.366 -0.833 30 20 DBED C#Cc1ccccc1CC(=O)N[C@H]1CCN(CCO)C[C@@H]1O 1090763105 DJFJDSPUXBRHBM-HOTGVXAUSA-N 302.374 -0.246 30 20 DBED CC#CCN1CC[C@H](NC(=O)C2CCN(C(N)=O)CC2)[C@@H](O)C1 1090793785 IAAUMAAZQNYULO-KBPBESRZSA-N 322.409 -0.648 30 20 DBED CC(C)(O)CC(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1091099159 DAGXBJNBPTVXPF-MNOVXSKESA-N 305.338 -0.825 30 20 DBED N#Cc1nccnc1N[C@H]1C[C@H](CNC(=O)Cn2cncn2)C1 1091457625 OMPQAVZZCVTQMG-XYPYZODXSA-N 312.337 -0.053 30 20 DBED C#CCCN1C[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@]2(C)C1 1092009580 CDYMEWXRONIHAO-OEUWWYETSA-N 319.405 -0.177 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)[C@@H]3CCNC3=O)c3nccn32)C1 1092385561 VPZFFXXYKWZCGB-GHMZBOCLSA-N 314.349 -0.885 30 20 DBED COC(=O)c1cnc(N2C[C@H]3[C@H](NC(=O)[C@H](C)C#N)[C@H]3C2)nc1 1093235203 JOZHHZDNJZNLLU-YJQGPUDQSA-N 315.333 -0.026 30 20 DBED N#Cc1cnc(N2C[C@H]3C(NC(=O)CCc4nc[nH]n4)[C@@H]3C2)cn1 1093238905 HFUCOVFZQGWWLD-GHMZBOCLSA-N 324.348 -0.350 30 20 DBED N#Cc1c[nH]ccc1=NCCNC(=O)[C@@H]1CCCN(C(N)=O)C1 1093992781 JJIYHXBRCRAIEG-LLVKDONJSA-N 316.365 -0.306 30 20 DBED N#Cc1cnc(NCCNC(=O)C[C@@H]2NC(=O)NC2=O)c(F)c1 1094214628 NITNXYVDIOBJCB-VIFPVBQESA-N 320.284 -0.781 30 20 DBED C=CCN1CC(n2cc(CNC(=O)c3cncn3C)nn2)C1 1094303695 VZGHWDDNLPPQNR-UHFFFAOYSA-N 301.354 -0.016 30 20 DBED CNS(=O)(=O)CC(=O)NCCCNc1ncccc1C#N 1094440212 IYHIREWIBMXFIV-UHFFFAOYSA-N 311.367 -0.579 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)CN3CCCC3=O)CC2=O)C1 1094701622 QDIGMAATSJLJOX-GFCCVEGCSA-N 320.393 -0.804 30 20 DBED C#CCCN1CC(N2C[C@H](NC(=O)C[C@@H]3CCCO3)CC2=O)C1 1094710617 VODJTGNGBQTVHU-HIFRSBDPSA-N 319.405 -0.020 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)Cn3nccc3C)CC2=O)C1 1094792684 UCXRBWOGRMESLH-CYBMUJFWSA-N 315.377 -0.774 30 20 DBED C#CCNC(=O)CC(=O)NCCCN(C)c1cncc(C#N)n1 1095541243 NHKSNMMSXFEEAT-UHFFFAOYSA-N 314.349 -0.570 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CCN(c2ccc(C)nn2)C1 1096360438 NNWMQYSYGJYWIC-LBPRGKRZSA-N 301.350 -0.381 30 20 DBED N#Cc1ccc(N[C@H]2C[C@@H](NC(=O)C(=O)NCC(F)F)C2)nn1 1097228963 IJFZNMRORNAKHT-DTORHVGOSA-N 324.291 -0.211 30 20 DBED CNC(=O)CC(=O)NC[C@H]1CCCN(c2cncc(C#N)n2)C1 1097296257 VQHOCKHGKTYBOA-LLVKDONJSA-N 316.365 -0.183 30 20 DBED C=CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H]1CCN(C)S1(=O)=O 1098016856 IJLFETFMILUVOC-NDBYEHHHSA-N 313.423 -0.072 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H]1COCCN1C(C)=O 1098441821 XFQWFUCTFCZUJI-KBXIAJHMSA-N 305.378 -0.412 30 20 DBED C#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 1099025210 SSQZVOIXSWDFQM-JFILPPLUSA-N 305.378 -0.377 30 20 DBED CC#CCN1C[C@@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CNC(N)=O)C1 1099403222 WYYZORMHHRFENL-FQUUOJAGSA-N 304.394 -0.153 30 20 DBED C[C@@H](CCNC(=O)[C@@H]1CN(C)C(=O)N1)N=c1cc[nH]cc1C#N 1099617403 USJIOGFGGYPZMF-GWCFXTLKSA-N 316.365 -0.295 30 20 DBED CCCC1(C(=O)N[C@@H]2CCN(CC(=O)NCC#N)C[C@@H]2O)CC1 1100003341 FDNZDBIBTGJYEI-OLZOCXBDSA-N 322.409 -0.242 30 20 DBED C#CCN1CC[C@H](NC(=O)C2(NC(N)=O)CCCCC2)[C@H](O)C1 1100026975 KLAFVCHWNYWQGO-QWHCGFSZSA-N 322.409 -0.458 30 20 DBED C[C@H](C(=O)NCCN(C)c1cncc(C#N)n1)n1cncn1 1100028313 OETUEAJZOCFWAI-SNVBAGLBSA-N 300.326 -0.247 30 20 DBED CN(CCNC(=O)C[C@@H]1CCC(=O)NC1)c1ccc(C#N)nn1 1100182472 GOECDSYEIXRBKA-NSHDSACASA-N 316.365 -0.183 30 20 DBED Cc1nn(C)cc1C(=O)NCC1CC(NCC(=O)NCC#N)C1 1100193977 AQAVCZLRHMVVCT-UHFFFAOYSA-N 318.381 -0.534 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CC(CNC(=O)c2cn(C)nn2)C1 1100298101 XLSPKRBUFNGJLO-VOMCLLRMSA-N 318.381 -0.949 30 20 DBED C[C@H](C(=O)NCCN(C)c1cnc(C#N)cn1)[C@H]1CCC(=O)N1 1100333751 MJXNXGHNUDDIHS-CMPLNLGQSA-N 316.365 -0.185 30 20 DBED CN(CCNC(=O)c1cn(C)c(=O)cn1)c1ccc(C#N)nc1 1100417674 DFRFLEDFJBIHDA-UHFFFAOYSA-N 312.333 -0.087 30 20 DBED CCC(=O)NCC(=O)NC[C@@H]1CCCN1c1cncc(C#N)n1 1100810558 WMKBYJDDCDXWOT-LBPRGKRZSA-N 316.365 -0.041 30 20 DBED N#Cc1cncc(N(CCNC(=O)[C@H]2CCC(=O)N2)C2CC2)n1 1101304028 MZBTYZVBMSOUKI-GFCCVEGCSA-N 314.349 -0.288 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)C[C@H]1CCC(=O)NC1 1101823177 QSOYJGXMBOTEFS-LLVKDONJSA-N 316.365 -0.443 30 20 DBED CC[C@H](NC(C)=O)C(=O)N(C)CCN=c1cc[nH]c(C#N)n1 1101963861 RWIWUJXCUFFTQS-NSHDSACASA-N 304.354 -0.445 30 20 DBED CN(CCNc1nccnc1C#N)C(=O)c1ccc(C(N)=O)[nH]1 1101969803 OJHUVYXOTQSACO-UHFFFAOYSA-N 313.321 -0.041 30 20 DBED C#CCCN1C[C@@H](C)[C@H](CNC(=O)CC[C@@H]2NC(=O)NC2=O)C1 1102562900 ACNNAINNNIJRCQ-UPJWGTAASA-N 320.393 -0.318 30 20 DBED C[C@H](CN=c1cc[nH]cc1C#N)CNC(=O)[C@H](C)NC(N)=O 1103934520 DPIFZGRUOIRHCN-ZJUUUORDSA-N 304.354 -0.404 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)c1ncn(C)n1 1104545645 OBBMLLMXFKPBKH-VIFPVBQESA-N 300.326 -0.529 30 20 DBED CC(C)OCCC(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1 1105778107 MIONLUNSECGYTD-LLVKDONJSA-N 307.354 -0.526 30 20 DBED Cc1cnoc1C(=O)NC[C@H](O)CNc1cnc(C#N)cn1 1105939041 JFVZSEMJDSUNRV-SNVBAGLBSA-N 302.294 -0.153 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)Cc2nc[nH]n2)cn1 1105957541 HNUAXDSBHCIPJS-NSHDSACASA-N 301.310 -0.797 30 20 DBED C[C@H](CCNc1cncc(C#N)n1)NC(=O)C1CS(=O)(=O)C1 1106458783 KIOFPWAPZIDVQE-SECBINFHSA-N 323.378 -0.300 30 20 DBED C[C@H](CCNc1cnc(C#N)cn1)NC(=O)[C@H]1CNC(=O)N1 1106543774 SHOMKMRQWFFUPM-PSASIEDQSA-N 303.326 -0.664 30 20 DBED Cc1nocc1C(=O)N1C[C@@H](C)[C@H](CNCC(=O)NCC#N)C1 1106618469 RWGNECQURZYZGJ-ZYHUDNBSSA-N 319.365 -0.080 30 20 DBED C#CCCN1CC(n2cc(CNC(=O)[C@H](C)NC(C)=O)nn2)C1 1107120058 TWOQTNRXQRAPSS-NSHDSACASA-N 318.381 -0.701 30 20 DBED C[C@]1(C(=O)NC/C=C/CNc2cnc(C#N)cn2)CCNC1=O 1107508968 TWTPIPGDTYSNJY-XYBNCVKDSA-N 314.349 -0.041 30 20 DBED C#CCNC(=O)CN1CCO[C@@](C)(CNC(=O)[C@@H]2CC2(C)C)C1 1107877003 OROMTYREYLRVMZ-GUYCJALGSA-N 321.421 -0.011 30 20 DBED CCN1CCOC[C@H]1C(=O)NC[C@@]1(C)CN(CC#N)CCO1 1108039692 FEUAKQBGZVALJZ-ZFWWWQNUSA-N 310.398 -0.562 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)[C@H](OC)C3CC3)CC2=O)C1 1108541349 UMMZMXZRURVVDA-IUODEOHRSA-N 307.394 -0.001 30 20 DBED CC(=O)NCC(=O)N[C@]1(C)CCN(c2ccnc(C#N)n2)C1 1110719724 YGGSCQOJMXOVBO-CQSZACIVSA-N 302.338 -0.431 30 20 DBED C[C@H](Nc1nccnc1C#N)[C@@H]1CCN(C(=O)CNC(N)=O)C1 1111206141 VPEDHDPKSGDCEC-VHSXEESVSA-N 317.353 -0.335 30 20 DBED N#Cc1cccnc1NCCN(CCO)C(=O)[C@@H]1COCCO1 1111425440 JURVPCPICMIBCL-ZDUSSCGKSA-N 320.349 -0.399 30 20 DBED C[C@H]1C[C@H](C(=O)N(CCO)CCN=c2cc[nH]c(C#N)n2)CO1 1111522207 LTUIXYGLJPWDNH-RYUDHWBXSA-N 319.365 -0.572 30 20 DBED C[C@@H]1CN(C(=O)CNC(N)=O)C[C@@H]1Nc1ccc(C#N)nn1 1112306494 HIEJQGPVOIOTRY-SCZZXKLOSA-N 303.326 -0.725 30 20 DBED C[C@H](c1nnnn1C)N1CCN(C(=O)CSCC#N)CC1 1112630389 ZCKXTPJPDISGRL-SNVBAGLBSA-N 309.399 -0.328 30 20 DBED COCC#CCN1CCN(C(=O)c2ccnn2CCOC)CC1 1112995822 DCWBANYYPZFGCW-UHFFFAOYSA-N 320.393 -0.063 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)c2cncn2C)CC1 1113074043 XMIOKKLKVUNHBV-LBPRGKRZSA-N 305.382 -0.131 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)[C@H](CC)NC(C)=O)CC1 1113368834 WVYPODFZGSKRQU-OCCSQVGLSA-N 324.425 -0.264 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)c3cnc(C)[nH]3)[C@H]2C1 1114041933 UFHRHISHAVYRBH-DLOVCJGASA-N 315.377 -0.484 30 20 DBED CC#CCN1C[C@H]2C(NC(=O)[C@@H](Cn3cccn3)N(C)C)[C@@H]2C1 1114405599 WDUDHYBCPXQRDW-RBSFLKMASA-N 315.421 -0.117 30 20 DBED C=CCCCN1C[C@H]2[C@H](NC(=O)C[C@@H]3NC(=O)NC3=O)[C@H]2C1 1114420514 HLUYRIBHHMJXAA-SRRSOLGSSA-N 306.366 -0.403 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)c3ccnc(OC)n3)[C@@H]2C1 1114548553 SMBPFVRWZYXAOU-VXGBXAGGSA-N 316.361 -0.205 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)[C@H]3CCC(=O)N3C)[C@H]2C1 1114725727 AJXGPAGBTBKDSY-COMQUAJESA-N 305.378 -0.697 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3ccc(O)nc3)[C@H]2C1 1115193143 ZSZBHXNBJYEILJ-JYAVWHMHSA-N 314.345 -0.803 30 20 DBED CN(CCOCCNC(=O)C(N)=O)c1cccc(F)c1C#N 1115250748 ZMKJRAASPPSZLL-UHFFFAOYSA-N 308.313 -0.248 30 20 DBED C=CCOCCN1C[C@H]2C(NC(=O)c3cn(C)c(=O)n3C)[C@@H]2C1 1115305593 ACMYWIDHANKTFD-VXGBXAGGSA-N 320.393 -0.414 30 20 DBED CC(C)(C)S(=O)(=O)CCNC(=O)NCC(=O)NCC#N 1117283171 IERYZZXURGBDKV-UHFFFAOYSA-N 304.372 -0.861 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)NCC(=O)N1CCCCC1 1117291948 IXSDVONTOBJFJR-UHFFFAOYSA-N 303.362 -0.400 30 20 DBED CC(C)CN(CCN(C)C)C(=O)C(=O)N1CCO[C@@H](C#N)C1 1117832815 YVSZECQLAMFAAY-ZDUSSCGKSA-N 310.398 -0.216 30 20 DBED CCn1ccc(CNC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)n1 1118225557 IZPJECFWIWJYFM-AWEZNQCLSA-N 305.338 -0.604 30 20 DBED C#CCN1CCN(c2nnc([C@@H]3CC(=O)N(CC)C3)n2C)CC1 1121370891 LPSIHLNMIKLSRG-CYBMUJFWSA-N 316.409 -0.094 30 20 DBED N#Cc1cnc(N[C@@H](CO)CNC(=O)Cc2cc[nH]n2)cn1 1121399922 SADIGQKACMXNRO-LLVKDONJSA-N 301.310 -0.797 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)C2(C(N)=O)CC2)nc1 1122452445 RFAPUQJTETXSJX-JTQLQIEISA-N 303.322 -0.892 30 20 DBED CN(C)CC1(C(=O)NC[C@H](CO)N=c2cc[nH]cc2C#N)CC1 1122508290 LFTTZSRAQIHTDE-CYBMUJFWSA-N 317.393 -0.394 30 20 DBED C[C@@H]1CCCN1CC(=O)NC[C@@H](CO)Nc1nccnc1C#N 1122527239 NZXUAGYLATVMCP-NEPJUHHUSA-N 318.381 -0.278 30 20 DBED CNC(=O)CC(=O)N1C[C@H](Nc2nccnc2C#N)C[C@H]1C 1123200401 AKVBEDGNMMUZIT-NXEZZACHSA-N 302.338 -0.114 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)[C@@H](CC)OC 1124572411 CCMAYQHQQFJDLI-GHMZBOCLSA-N 314.386 -0.483 30 20 DBED CC(=O)NCC(=O)N(C)C[C@@H](O)CN(C)c1ccncc1C#N 1124939755 LVDTUUCRCNYZPJ-ZDUSSCGKSA-N 319.365 -0.655 30 20 DBED Cc1nc(N(C)C[C@H](O)CN(C)C(=O)CC(N)=O)ccc1C#N 1125024426 ROFLQTFOTADVKV-LBPRGKRZSA-N 319.365 -0.607 30 20 DBED N#Cc1ccc(N2CC=C(CNC(=O)Cc3nc[nH]n3)CC2)nn1 1127689845 DEQIGPGPFMAGOR-UHFFFAOYSA-N 324.348 -0.038 30 20 DBED C=CCCOCC(=O)NCc1cnn2c1CN(CCO)CC2 1128602577 NNVLDRYBJBEKOX-UHFFFAOYSA-N 308.382 -0.100 30 20 DBED COCC#CCNCCNC(=O)CCCN1C(=O)CCC1=O 1128759280 YWVIVMADWXOZRD-UHFFFAOYSA-N 309.366 -0.729 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(CC#CC)C[C@@H]1n1ccnn1 1128811942 JNWHDHULNGVFHB-KGLIPLIRSA-N 303.366 -0.155 30 20 DBED C=CCNC(=O)CNCCNC(=O)Cn1cc(C2CC2)nn1 1129346282 AZTJULHGUXWXNE-UHFFFAOYSA-N 306.370 -0.837 30 20 DBED CCn1nc(C2CC2)cc1C(=O)NCCNCC(=O)NCC#N 1130061918 ZKTAFSNZODWTFN-UHFFFAOYSA-N 318.381 -0.260 30 20 DBED COCCC(=O)N1CC[C@H](N2C(=O)O[C@H]3CN(CC#N)C[C@H]32)C1 1131295083 ZUNGGSUYAKVOGJ-XQQFMLRXSA-N 322.365 -0.348 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)[C@@H](C)NC(=O)CC)CC1 1131362220 PMXGCRGQUNZNGG-CYBMUJFWSA-N 324.425 -0.262 30 20 DBED COCCC(=O)N1CC[C@H](C)[C@H](CNCC(=O)NCC#N)C1 1132581463 ABVBHWPIPVFRDX-QWHCGFSZSA-N 310.398 -0.263 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)C[C@H](C)NCC(=O)NCCC 1134130128 CNVARLODDJVKDK-QWHCGFSZSA-N 324.425 -0.475 30 20 DBED C=CCOCCN1CCC2(C1)CN(C(=O)[C@H]1CN(C)C(=O)N1)C2 1148024749 MNXLOUBOCKSVLA-CYBMUJFWSA-N 322.409 -0.253 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)C(C)(C)N2CCOCC2)C1 1150461416 CMNQXQCWWZAPAI-OAHLLOKOSA-N 323.437 -0.063 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)CC[C@@]1(C)CCC(=O)N1 1153906329 RWBAZTLZRLVYOW-LRDDRELGSA-N 324.425 -0.168 30 20 DBED CC#CCN(CC)[C@H](C)CNC(=O)Cn1ccc(O)nc1=O 1154205791 RYUDRYRMAKYGFQ-GFCCVEGCSA-N 306.366 -0.201 30 20 DBED CNC(=O)NC(=O)[C@@H](C)NCCCNC(=O)C#CC(C)(C)C 1157727547 RYHIWQYQCUAXGM-LLVKDONJSA-N 310.398 -0.024 30 20 DBED C#CCO[C@H](C)C(=O)NCCCNCc1noc(CCOC)n1 1157874321 NTZOALTTZAOAIF-GFCCVEGCSA-N 324.381 -0.107 30 20 DBED C[C@H](C#N)C(=O)NCCC1(CN[C@H](C)C(=O)NC(N)=O)CC1 1163841365 OAEYBMRAKLAUFZ-NXEZZACHSA-N 309.370 -0.394 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCCCN[C@H]1CCC(=O)NC1=O 1166983020 UQZGHHLKLVOXPN-WOPDTQHZSA-N 309.366 -0.521 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)[C@H](C)OCCOC 1167552148 HMSSQPHNYTYRQH-STQMWFEESA-N 313.398 -0.728 30 20 DBED C=CCCCNCCCNC(=O)c1cn(C)c(=O)n(C)c1=O 1167552268 JNEMVHQFCBFESI-UHFFFAOYSA-N 308.382 -0.240 30 20 DBED C#CCCNCCCC[C@H](C)NC(=O)CNS(=O)(=O)NC 1171930065 NMSXGCSTRKBZPG-LBPRGKRZSA-N 318.443 -0.672 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCCCCNC(=O)c1nc[nH]n1 1179853838 VYTIFGMJMIRDNQ-GFCCVEGCSA-N 320.397 -0.178 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)c2cccn3nnnc23)C1 1182859869 JSHXUTAUXSRHPP-GFCCVEGCSA-N 314.349 -0.422 30 20 DBED CC(=O)N(C)CC(=O)N1C[C@@H](CNCC#N)C2(CCOCC2)C1 1186265035 NAMLXNUDULRXPF-CQSZACIVSA-N 322.409 -0.167 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@H](CNCCO)C2(CCOCC2)C1 1186382768 SBVFXDDUWANLTQ-CABCVRRESA-N 324.421 -0.138 30 20 DBED N#CCSCC(=O)N1CC[C@H]2CN([C@@H]3CCNC3=O)C[C@H]21 1186917139 HHCPNFIRSIHFAZ-QJPTWQEYSA-N 308.407 -0.336 30 20 DBED CCN(C)C(C)(C)C(=O)N1CC[C@H](N(C)CC(=O)NCC#N)C1 1191019150 JQXLLXGRFFJPLW-ZDUSSCGKSA-N 323.441 -0.111 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)c2cc(C)nn2C)C1 1191347399 AYDJGBUHPNVQGH-TZMCWYRMSA-N 306.366 -0.847 30 20 DBED C=CCn1cc(C(=O)N2CC[C@@H](N(C)[C@H](C)C(=O)NC)C2)nn1 1192723305 GNSXXJUEJDSIQE-VXGBXAGGSA-N 320.397 -0.255 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2ccc(C#C)nc2)C1 1193543456 UBVNRKMJPUHPCW-INIZCTEOSA-N 324.384 -0.041 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)C2(CN(C)C)CC2)C1 1195676729 IZNDRIFIHMTHGM-ZIAGYGMSSA-N 311.426 -0.308 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)c2coc(COC)n2)C1 1197320255 VOPHDCDGUKFKBP-DGCLKSJQSA-N 323.349 -0.754 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)c2cc[n+]([O-])cc2)CC1 1199177415 GGSCCICDJQISEZ-UHFFFAOYSA-N 316.361 -0.736 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)CC2(O)CCC2)CC1 1200425445 JABGJRDPZISELL-UHFFFAOYSA-N 307.394 -0.379 30 20 DBED COCC#CCNC[C@H]1CN(C(=O)[C@@]23COC[C@@H]2C3)CCCO1 1200547997 QZUPIZQXBMIONJ-ZOBUZTSGSA-N 322.405 -0.120 30 20 DBED C#CCCNC[C@H]1CN(C(=O)CN2CCOCC2=O)CCCO1 1200696546 PRLYFEBMLFRYDT-AWEZNQCLSA-N 323.393 -0.924 30 20 DBED C#CCN[C@H]1C[C@@H](NC(=O)CCNS(C)(=O)=O)C12CCC2 1202994337 DHAUBIUTRBKVLC-NWDGAFQWSA-N 313.423 -0.424 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)[C@@H]2CCC(=O)N2)CC1 1203400641 GAPROACVFZCACQ-LBPRGKRZSA-N 308.382 -0.852 30 20 DBED C#CCNC(=O)CC(=O)N1CCC(CN[C@H](C)C(=O)NC)CC1 1205049797 ICLNMVJAVKCACP-GFCCVEGCSA-N 322.409 -0.911 30 20 DBED C#CCN1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)C(N)=O)C1 1205182023 SJPUFHOWSLQMFC-ZIAGYGMSSA-N 301.346 -0.821 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)[C@@H]2COCCN2C)[C@H](C)C1 1206880809 FPNVXMJATJLLOR-MCIONIFRSA-N 324.425 -0.944 30 20 DBED C#CCCCC(=O)N[C@@H]1CN([C@@H](C)C(=O)NC(N)=O)C[C@H]1C 1206911613 WFVCNMPGJFZVON-GRYCIOLGSA-N 308.382 -0.190 30 20 DBED C#CCN1C[C@@H](NC(=O)COCc2nccn2C)[C@H](OC)C1 1212442702 UWGBVCADJSWMQM-CHWSQXEVSA-N 306.366 -0.615 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)CC(=O)NC)C[C@H]1C 1214496989 AAECAGNYOIRGDJ-GRYCIOLGSA-N 310.398 -0.750 30 20 DBED C=CCOCCN[C@@H]1CN(C(=O)C[C@@H]2NC(=O)NC2=O)C[C@H]1C 1214879129 QCWJMLHZRIFNGL-GRYCIOLGSA-N 324.381 -0.776 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CCN(C)C2)C[C@H]1C 1216749922 HCJAWGBTCIPWJP-HZSPNIEDSA-N 306.410 -0.876 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)CC(F)(F)F)C1 1219306665 WGXWRDVSTLMLHQ-AEJSXWLSSA-N 323.315 -0.209 30 20 DBED Cc1ncc(CN2C[C@H](O)[C@H](NC(=O)C#CC3CC3)C2)cn1 1219591449 FGNBHWIDHIKBOS-CABCVRRESA-N 300.362 -0.140 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)CN(C)C(=O)c2ccccc2)C1 1220263129 WSXLRQOICNUIOK-CABCVRRESA-N 315.373 -0.447 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H](C)c2ccco2)C1 1220342436 BTMYIESRXFJXSD-XQQFMLRXSA-N 319.361 -0.706 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)CCc2cncn2C)C1 1220888494 OEMZSBCPNRCYCX-CABCVRRESA-N 320.393 -0.836 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3cnc(C)[nH]3)[C@@H]2C1 1221436154 NGFCCUYIDDSZGF-TZMCWYRMSA-N 315.377 -0.386 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)C(=O)NCC(F)(F)F)[C@@H]2C1 1221902140 LBFKJPWGFXNPJC-NXEZZACHSA-N 303.284 -0.169 30 20 DBED COCC#CCN[C@@H]1CCCN(C(=O)C[C@H]2CC(=O)NC2=O)C1 1222156230 CKMFRVNWLJEIBN-CHWSQXEVSA-N 321.377 -0.730 30 20 DBED C=CCNC(=O)CN1CCC(CNC(=O)CNC(C)=O)CC1 1222275246 XKRKRULBOOAQSI-UHFFFAOYSA-N 310.398 -0.747 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)C[C@@H]2CCOC2)CC1 1222700908 LLLGFQCTHVWQMD-HNNXBMFYSA-N 321.421 -0.009 30 20 DBED COCC#CCN1CCC(NC(=O)[C@H]2CN(C)CCO2)CC1 1226723135 OOIDQGBNQMQERD-OAHLLOKOSA-N 309.410 -0.453 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)CC(N)=O 1227940064 FDTDAVIDPAFSSH-YNEHKIRRSA-N 324.425 -0.183 30 20 DBED C=CCN1CCS(=O)(=O)[C@@H](CCNC(=O)c2cn[nH]c2)C1 1230425380 JPOPWAYWBRCDKF-LBPRGKRZSA-N 312.395 -0.185 30 20 DBED C#CCNC(=O)[C@H](C)N(C)CCCNC(=O)c1cc(C)n(C)n1 1234585681 KYITYUBMILJQTM-ZDUSSCGKSA-N 319.409 -0.082 30 20 DBED C=CCN1CC[C@H](N(C)CCCNC(=O)[C@H]2CCC(=O)N2)C1=O 1235745331 OQZKATZJGWDCMB-OLZOCXBDSA-N 322.409 -0.510 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCO[C@H](C)[C@@H]1C 1261181221 RUJDUABKMTVXLZ-WDEREUQCSA-N 318.395 -0.661 30 20 DBED C#CC1(O)CN(C(=O)Cc2ccccc2NS(C)(=O)=O)C1 1262349883 CJUFVBNMYGNNHQ-UHFFFAOYSA-N 308.359 -0.193 30 20 DBED C[C@H](C(=O)n1ncc(C#N)c1N)S(=O)(=O)C1CCOCC1 1319232510 WZBMURDITBGWDL-MRVPVSSYSA-N 312.351 -0.041 30 20 DBED CC1=CC(=O)[C@@H](C(=O)/C=C\c2cn(CC(=O)O)nn2)C(=O)O1 1319624153 WEHCLFXPOIKMNG-ZZKXABKFSA-N 305.246 -0.409 30 20 DBED CN(C(=O)C(=O)Nc1cccc(OCC#N)c1)[C@H]1CCNC1=O 1320728124 KOEIFIGOZBSFPH-LBPRGKRZSA-N 316.317 -0.126 30 20 DBED C#CCCCCNC(=O)C(=O)N[C@H](CC)C(=O)N1CCOCC1 1323197635 QXXSPKZKNCSAJB-CYBMUJFWSA-N 323.393 -0.340 30 20 DBED C[C@@H](NC(=O)C(=O)N1CC[C@@](O)(CC#N)C1)C(C)(C)CN(C)C 1326893449 BQZCAPBOBWWTAS-WBMJQRKESA-N 324.425 -0.044 30 20 DBED C[C@H](NC(=O)C(=O)N1CC[C@](O)(CC#N)C1)C1CCOCC1 1328303434 PYHSIKWMYTVXPD-XHDPSFHLSA-N 309.366 -0.205 30 20 DBED C[C@@H](C#N)CN(C)C(=O)C(=O)N1CCN(C(=O)N(C)C)CC1 1328411213 CXMOKYQUFJQCBV-NSHDSACASA-N 309.370 -0.570 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCC[C@@H](C(=O)NCCC)C1 1329098804 KHKMGVNDTMQGAL-CYBMUJFWSA-N 323.393 -0.483 30 20 DBED C=C(C)CN(C)C(=O)C(=O)N(C)C[C@H](O)CN1CCOCC1 1331380442 XBFPSDXTYLLMPY-ZDUSSCGKSA-N 313.398 -0.828 30 20 DBED O=C1CO[C@H]2CCN(C(=O)c3cccc(C#CCO)c3)C[C@@H]2N1 1332614031 TUPJEJHNMNXVHL-GJZGRUSLSA-N 314.341 -0.240 30 20 DBED N#CC[C@H]1CCCN(C(=O)C(=O)N2CC[C@@H](NC(N)=O)C2)C1 1333435153 CEZZXMIUFPPERX-GHMZBOCLSA-N 307.354 -0.592 30 20 DBED CS(=O)(=O)N1CCC(NC(=O)CN(CC#N)C2CC2)CC1 1336771794 ZPEYCJVEAIHRMB-UHFFFAOYSA-N 314.411 -0.485 30 20 DBED COC1(C)CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)CC1 1362752095 JLBCZFJOKDWHMA-UHFFFAOYSA-N 306.322 -0.152 30 20 DBED CCOC(=O)[C@H](CO)NS(=O)(=O)c1ccccc1CC#N 1363963373 GWCSOSFBRZARFH-NSHDSACASA-N 312.347 -0.045 30 20 DBED CCN(CCC#N)C(=O)CN1CC(CNC(=O)[C@@H]2CCCO2)C1 1377958397 YJVNGIGCUWRVEH-AWEZNQCLSA-N 322.409 -0.024 30 20 DBED CN(C[C@H](O)CN[C@@H]1CCN(C)C1=O)C(=O)c1cc(C#N)c[nH]1 1379772077 XCXISQJRLFNZHF-VXGBXAGGSA-N 319.365 -0.860 30 20 DBED CCN(C(=O)CNC(=O)OC)[C@@H]1CCN(C(=O)[C@@H](C)C#N)C1 1390095638 ORXOELFCSRYDQJ-WDEREUQCSA-N 310.354 -0.049 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)CCC(=O)N2CCOCC2)C1 1398708094 UCMLKDCPGQZEOR-NSHDSACASA-N 322.365 -0.888 30 20 DBED Cc1nc(CC(=O)N[C@@H](C)CNC(=O)c2c[nH]c(C#N)c2)n[nH]1 1400188251 LKPLMFQPFQVTDH-QMMMGPOBSA-N 315.337 -0.210 30 20 DBED CC(=O)N(C)CC(=O)N1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 1407035732 MBJFJYZTJHEEOV-UHFFFAOYSA-N 317.349 -0.351 30 20 DBED C[C@H](C#N)C(=O)N(C)C[C@@H]1CCCN1C(=O)CCNC(N)=O 1411273138 XECLZCNFGGEFCJ-MNOVXSKESA-N 309.370 -0.346 30 20 DBED C[C@@H]1OCC[C@]12CN(c1[nH]c(=O)n(C)c(=O)c1C#N)CCO2 1413892742 KRMAGAAPFVNSGH-XPTSAGLGSA-N 306.322 -0.671 30 20 DBED CN(C)[C@@H](CNC(=O)Cn1cc(C#N)c(O)nc1=O)C1CC1 1433614437 SUYURTNSMLGZGJ-NSHDSACASA-N 305.338 -0.723 30 20 DBED N#Cc1cn(CCNC(=O)NCC2CCOCC2)c(=O)nc1O 1434770425 KURDVZPRKRZMDP-UHFFFAOYSA-N 321.337 -0.454 30 20 DBED C=C(Cl)CNC[C@@H](C)NC(=O)c1c[nH]nc1S(N)(=O)=O 1445433059 JOISYALXDBPESH-SSDOTTSWSA-N 321.790 -0.483 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)c2cccc(O)n2)C1 1459655785 WJHAJFNVCFMUMJ-MEBBXXQBSA-N 318.333 -0.360 30 20 DBED C[C@H]1CN(C(=O)Cn2cc(C#N)c(O)nc2=O)C[C@H](C)S1=O 1466887063 FECXTSACDZDXKP-IUCAKERBSA-N 324.362 -0.812 30 20 DBED C#CCNC(=O)CNC[C@H]1CCCN1C(=O)[C@H](CC)N(C)C 1482064985 BNJUNAQVCPOVLZ-KGLIPLIRSA-N 308.426 -0.343 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]1CN(C)C(=O)CN1CCCC1=O 1489710616 BDRTWIZAVCZDAB-VXGBXAGGSA-N 306.366 -0.172 30 20 DBED CCN1C[C@H](C(=O)N(C)CCN(C)C(=O)[C@@H](C)C#N)CC1=O 1501184083 GWKURRWUFNMZKJ-NWDGAFQWSA-N 308.382 -0.069 30 20 DBED C#Cc1ccccc1CC(=O)NCCc1nnc2n1CCNC2=O 1520610207 BQGNORXRFWZMDU-UHFFFAOYSA-N 323.356 -0.096 30 20 DBED COCCC(=O)N1CCC(N(CCO)C(=O)[C@H](C)C#N)CC1 1521256591 DYBNOMOKLCWCCT-GFCCVEGCSA-N 311.382 -0.006 30 20 DBED CCN(CCNC(=O)[C@H](C)C#N)C(=O)[C@@H]1CCc2nncn2C1 1529069971 SUAUEJRERYIGGZ-VXGBXAGGSA-N 318.381 -0.035 30 20 DBED C=C(CCC(=O)OC)C(=O)N1CCO[C@@](COC)(C(=O)O)C1 1588444426 BNDMWTBRWDEULV-AWEZNQCLSA-N 315.322 -0.176 30 20 DBED Cc1c(-c2nn[nH]n2)c(=O)n(Cc2cc(C#N)ccn2)c(=O)n1C 1591794111 YWXJAVIGCIDHHC-UHFFFAOYSA-N 324.304 -0.650 30 20 DBED C#CCN(CC(=O)O)c1nnc([C@H]2SCCNC2=O)n1CC 1602701088 VQIQEQOQZCNSTM-SNVBAGLBSA-N 323.378 -0.274 30 20 DBED CN(C)[S@@](C)(=O)=NS(=O)(=O)N(CC#N)CCC(=O)O 1606045840 SYHOWEMPMATSDP-SFHVURJKSA-N 312.373 -0.894 30 20 DBED N#Cc1ncc(N2CCSC[C@H]2CO)nc1-c1nn[nH]n1 1606397528 SGBNSGALIFJCMT-SSDOTTSWSA-N 304.339 -0.558 30 20 DBED C[C@H]1CN(C(=O)CN2CC[C@@H](NC(=O)C#CC3CC3)C2)CCO1 1715003578 LXPOWKXCWQRZQA-DZGCQCFKSA-N 319.405 -0.162 30 20 DBED CCNC(=O)CC(=O)N(C)C1CCN(CC(=O)NCC#N)CC1 1752297117 DDXOIFONNRWBQP-UHFFFAOYSA-N 323.397 -0.925 30 20 DBED C#CCO[C@H](C)C(=O)NCCN1CCN([C@H](C)COC)CC1 1752366316 WNMLFYMDOITZDN-HUUCEWRRSA-N 311.426 -0.207 30 20 DBED COCC#CCN1CCC2(CC1)C[C@H]2NC(=O)CNC(C)=O 1752414357 BDJCBGSEVPREBX-CQSZACIVSA-N 307.394 -0.257 30 20 DBED C#CCNC(=O)CN[C@H](CNC(=O)c1n[nH]c(C)c1O)C1CC1 1752453866 GFTGKTYAFGXHOP-LLVKDONJSA-N 319.365 -0.729 30 20 DBED C=CCN1CC[C@@H](N[C@H]2C[C@@H](NC(=O)C(C)(C)C(N)=O)C2)C1=O 1752740274 ZEXZKYQZTGMXNU-GRYCIOLGSA-N 322.409 -0.478 30 20 DBED C#CCCNCCNC(=O)[C@H]1CCCN(C(=O)c2cn[nH]c2)C1 1752925588 ZHDJXYQGWQKEDE-ZDUSSCGKSA-N 317.393 -0.009 30 20 DBED C[C@H](CCNC(=O)c1ccc(-n2cnnn2)cn1)NCC#N 1753009613 NSEUKZRBCHLXMV-SNVBAGLBSA-N 300.326 -0.321 30 20 DBED COCC#CCN1CC[C@H](CNC(=O)CCn2cnnn2)C1 1753137504 KYHZHURQCSNNGC-CYBMUJFWSA-N 306.370 -0.849 30 20 DBED N#CCNC(=O)CN(CCNC(=O)[C@H]1C[C@@]12CCOC2)C1CC1 1753161239 BNJIQXIJNUUTRG-CZUORRHYSA-N 320.393 -0.367 30 20 DBED C=CCN1CC[C@@H](N[C@H](CC)CNC(=O)c2[nH]nnc2C)C1=O 1753480860 DWGCXXMKWQOSDC-VXGBXAGGSA-N 320.397 -0.002 30 20 DBED C#CCN[C@@H]1CCN(C(=O)CCNS(C)(=O)=O)C[C@H]1C 1753755815 WLIKQPFKLKMNIW-VXGBXAGGSA-N 301.412 -0.615 30 20 DBED C[C@H]1CCCN(C(=O)CN(C)S(C)(=O)=O)[C@H]1CNCC#N 1753820612 ZDAVXJDPTKURGB-RYUDHWBXSA-N 316.427 -0.382 30 20 DBED C=CCNC(=O)CN1CCOC[C@H]1CNC(=O)CCCF 1754969895 JNAXRJJOTWQGPX-GFCCVEGCSA-N 301.362 -0.145 30 20 DBED C#CCCN[C@@H](C)[C@@H](C)NC(=O)c1cn(C)c(=O)n(C)c1=O 1755256951 PXVBMQIAPUXGRE-WDEREUQCSA-N 306.366 -0.796 30 20 DBED C#CCNC(=O)CN1CC(CCO)(NC(=O)C/C=C(/C)C=C)C1 1755334709 HNHOVDSCRRTJQB-NSIKDUERSA-N 319.405 -0.189 30 20 DBED C=CCCCN[C@H](CO)CNC(=O)c1ccn2nnnc2c1 1755635064 SAJXXFJQQFLOBN-LBPRGKRZSA-N 304.354 -0.229 30 20 DBED C#CCCNC[C@@H]1CC[C@@H](NC(=O)CS(=O)(=O)N(C)C)C1 1755746179 GPKMTGVGIPZMRJ-CHWSQXEVSA-N 315.439 -0.224 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@H](OC)C2CC2)CC1(C)C 1755754923 DMOTXTZLXCFSMA-UKRRQHHQSA-N 321.421 -0.013 30 20 DBED CO[C@@H](C(=O)NCC1=CCN(CC(=O)NCC#N)CC1)C1CC1 1755884839 HNKJOWMYGBZXAH-OAHLLOKOSA-N 320.393 -0.201 30 20 DBED Cc1cnoc1C(=O)NCC1=CCN(CC(=O)NCC#N)CC1 1755897203 QOFDTLQZKHBDDS-UHFFFAOYSA-N 317.349 -0.015 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H](CO)CNC(=O)c1cscn1 1756519730 UFXAQVXEWNPWPV-VHSXEESVSA-N 313.379 -0.059 30 20 DBED C=C(C)CCC(=O)NC[C@H](CO)NC(=O)c1cnn(C)c1N 1756526674 WIQDJDSDVQYZSN-SNVBAGLBSA-N 309.370 -0.435 30 20 DBED C#CCOCCC(=O)N(C)C[C@H](O)CNC(=O)c1ccn(C)n1 1756662676 IRJACSMURYWPPW-GFCCVEGCSA-N 322.365 -0.991 30 20 DBED CS[C@H](C)C(=O)N[C@@H]1CN(C(=O)CSCC#N)C[C@H]1O 1756978639 BVHBBINYTBDNFJ-OPRDCNLKSA-N 317.436 -0.317 30 20 DBED CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccnc(C#N)n1 1771769931 MXYWBFVRGVTMKI-SECBINFHSA-N 309.351 -0.912 30 20 DBED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc[nH]n3)[C@H]2C1 1787224550 ARAXZTXNDZXIBK-DCAQKATOSA-N 303.322 -0.969 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)C1(O)CCC1 1792478425 KAFURUSJWXBFKI-GUIRCDHDSA-N 320.389 -0.240 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1noc(C)n1 1794061772 SHUFGOSYRDFMBY-QHBPRCKVSA-N 318.333 -0.857 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncoc1C 1798272810 TYYUDMTXXFVVKR-GNXNZQSNSA-N 303.318 -0.181 30 20 DBED C/C=C(/C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1800474461 ZEIPWTSTIHJGFD-RUQNZBDHSA-N 320.345 -0.370 30 20 DBED CC(C)[C@@H](O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC(=O)O 1801986474 IWJXIAOWURNXDV-NWJSVONSSA-N 322.361 -0.271 30 20 DBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(C)=O)C2)C1 1831391115 HCVCNZGZKASANK-CZUORRHYSA-N 324.377 -0.499 30 20 DBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)CC)C2)C1 1839810232 LZBOQVXBJVYHRD-OAHLLOKOSA-N 308.334 -0.945 30 20 DBED N#Cc1cccc(C(=O)N2CC3(CCCN3C(=O)C(O)O)C2)c1 1841235946 LGSLLUNNQCROAN-UHFFFAOYSA-N 315.329 -0.314 30 20 DBED Cn1ccc(C(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)c1 1842346640 KNNISZWFUPGPAU-UHFFFAOYSA-N 315.329 -0.070 30 20 DBED N#CC1(C(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)CCC1 1846197468 RSRHHXLLFIUSGE-UHFFFAOYSA-N 315.329 -0.028 30 20 DBED N#CCCN(CC(=O)N1CCNC(=O)C1)Cc1ccccn1 81159146 LYYWAIXBTSLCCJ-UHFFFAOYSA-N 301.350 -0.244 30 20 DBED CCN(CCC#N)C(=O)CN(C)C[C@H](O)CN1CCOCC1 83244960 ZJJIISBQQBEMFH-AWEZNQCLSA-N 312.414 -0.627 30 20 DBED CN1C(=O)CC[C@@H](NS(=O)(=O)c2ccccc2C#N)C1=O 90030845 HTEUROGQDSWZFV-SNVBAGLBSA-N 307.331 -0.016 30 20 DBED CC(C)CCOCCNC(=O)Cn1c(=O)c(C#N)cn(C)c1=O 134722142 FLJKCSKAWYWNOT-UHFFFAOYSA-N 322.365 -0.402 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCCC[C@H]2CN)C1=O 262641686 SFZKMTBXJQOPSA-QWRGUYRKSA-N 322.365 -0.403 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)C1=O 265140924 APXHEZIMUASXNA-BBBLOLIVSA-N 307.306 -0.601 30 20 DBED C[C@@H]1CN(C[C@H](O)COc2ccc(C#N)cc2)C[C@H](C(N)=O)O1 268402245 AZVGRDHIJGSAJP-OSAQELSMSA-N 319.361 -0.127 30 20 DBED C=CCNC(=O)CNC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 271986839 OXNMMAQWIIRSCA-TXFQPVFDSA-N 317.345 -0.788 30 20 DBED N#Cc1ncn(CCNC(=O)CN2Cc3ccccc3C2=O)n1 286031350 BHBSEEPUVARGJV-UHFFFAOYSA-N 310.317 -0.078 30 20 DBED C=C[C@H](CO)NC(=O)[C@@H]1CC(C)C[C@H]1C(=O)N[C@H](C=C)CO 290713350 WYQCNNJHQDCJHK-AAVRWANBSA-N 310.394 -0.025 30 20 DBED C=CCN(C)C(=O)C(=O)N1CCN(CC(=O)N[C@@H](C)CC)CC1 298211226 YMTNKMOZVMGMHO-ZDUSSCGKSA-N 324.425 -0.310 30 20 DBED C#CCCN1CCN(C(=O)[C@H](CCSC)NC(N)=O)CC1 299325700 OCDHOFODNJASBW-LBPRGKRZSA-N 312.439 -0.056 30 20 DBED COCCN1CC[C@H](/N=C(/O)N[C@@H]2CCS(=O)(=O)C2)C1 329280944 KMNFMZLTUGPTOQ-WDEREUQCSA-N 305.400 -0.602 30 20 DBED Cn1c(NCCc2nnc3n2CCC3)c(C#N)c(=O)n(C)c1=O 329390210 SEGAWDRHUKSGMO-UHFFFAOYSA-N 315.337 -0.852 30 20 DBED O=C1CSCN1CC(=O)N1CC[C@@H](N/C(O)=N/C2CC2)C1 329526141 RHVDEOVCFDQKSO-SNVBAGLBSA-N 312.395 -0.214 30 20 DBED Cn1ccnc(N=C(O)N2CCN(C[C@H]3CCOC3)CC2)c1=O 329807246 BIWKDEZEXNGAIU-GFCCVEGCSA-N 321.381 -0.020 30 20 DBED C/N=C(/O)N1CCN(C(=O)[C@H]2CCCCS2(=O)=O)CC1 329948816 LACCZRWDIAZLJH-SNVBAGLBSA-N 303.384 -0.358 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@H](C)N2CCOCC2)CC1 330472053 YHXDHBJIOSAGCZ-AWEZNQCLSA-N 324.425 -0.847 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)NCCN1C(=O)CCCC1=O 337987608 XLEYAXCKNMODKA-SNVBAGLBSA-N 316.383 -0.406 30 20 DBED Cn1cc(C#N)c(=O)n(CC(=O)NCc2cccc(C#N)c2)c1=O 342711291 WMVMHWCXUWOKPO-UHFFFAOYSA-N 323.312 -0.393 30 20 DBED CC(C)(C)C(=O)NCCNC(=O)NCCn1cnc(C#N)n1 344739660 JBBSGTUVXGHGDX-UHFFFAOYSA-N 307.358 -0.389 30 20 DBED COC(=O)[C@@H]1CNC(=O)CN1C(=O)c1ccc(CC#N)cc1 344855916 LFCRDDIFXCRBGV-LBPRGKRZSA-N 301.302 -0.134 30 20 DBED C[C@H](C(=O)NC1(C#N)CCC1)N1CCN(S(C)(=O)=O)CC1 345743554 YBFQWBLUUSTGFT-LLVKDONJSA-N 314.411 -0.485 30 20 DBED C=C[C@H](CO)NC(=O)Nc1ccn(CCN2CCOCC2)n1 350186704 RGKCDIOMFDRXKZ-GFCCVEGCSA-N 309.370 -0.116 30 20 DBED C=C[C@@H](CO)NC(=O)C(=O)Nc1cccc(-n2nnnc2C)c1 354681783 ASVPBCAALOKTKQ-JTQLQIEISA-N 316.321 -0.428 30 20 DBED C=CCOCC(=O)Nc1cnn(CC(=O)N2CCN(C)CC2)c1 354945039 UWTCEQDOSZTXTC-UHFFFAOYSA-N 321.381 -0.202 30 20 DBED N#Cc1ncn(CCNC(=O)CNC(=O)CC2CCCC2)n1 356292051 JDUCWXWGQNADET-UHFFFAOYSA-N 304.354 -0.038 30 20 DBED CN(CCC#N)S(=O)(=O)N1CCC[C@H](S(C)(=O)=O)C1 359212454 VHVUQXYAWWHRGC-JTQLQIEISA-N 309.413 -0.414 30 20 DBED C=CCN(CCC#N)C(=O)CNS(=O)(=O)c1cnn(C)c1 359384319 JFRAQRXDTUWUTC-UHFFFAOYSA-N 311.367 -0.373 30 20 DBED C[C@H]1CN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)C[C@H]1O 359427963 NNTTXPXRBKLLSC-GXSJLCMTSA-N 319.365 0.287 30 20 DBED CC(C)(C#N)CNC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 359643981 DHHFHNWDOPCTKP-CYBMUJFWSA-N 322.409 -0.167 30 20 DBED CN[C@H](C)CNC(=O)C(=O)N1CC(Oc2ccc(C#N)cc2)C1 420148964 URTDCRZGXHEKFS-LLVKDONJSA-N 316.361 -0.128 30 20 DBED CC#CCNC(=O)C(=O)N1C[C@H](C(=O)NC)Oc2ccccc21 440599069 NZGRYWJGVLDRAY-CYBMUJFWSA-N 315.329 -0.334 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](CC)c2ncc[nH]2)C1=O 442799403 KSIMDIATDHZYIG-VIFPVBQESA-N 319.321 -0.046 30 20 DBED C=C[C@@H]1OCC[C@H]1NC(=O)N[C@@H](CC)CNS(C)(=O)=O 458956935 NWMGFJHRZSYCSU-AXFHLTTASA-N 305.400 -0.043 30 20 DBED C#CCN1CCN(C(=O)CN2CC[C@@H](OCCOC)C2)CC1 491040126 SERAHRZGFZIXED-OAHLLOKOSA-N 309.410 -0.499 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCO[C@H]2C=C)CC1 491729412 JSQOUIGHMKFYMY-CABCVRRESA-N 319.405 -0.139 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N(CCO)[C@H](C)CC(=O)O 565953502 FEPRZIOSFQQNFN-VHSXEESVSA-N 307.372 -0.377 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N[C@@H](CCC(=O)O)C(=O)O 571885887 AKKUYLJQQUJAFX-YUMQZZPRSA-N 307.328 -0.627 30 20 DBED C=CC[C@@H](CO)CNC(=O)c1nc(N)nc(N2CCOCC2)n1 572608147 WUQWGJZZEFJSNZ-SNVBAGLBSA-N 322.369 -0.795 30 20 DBED CS(=O)(=O)N1CC[C@H](NC(=O)N2CC[C@@](F)(C#N)C2)C1 593447719 IHDPVDVGFLQGFZ-GXSJLCMTSA-N 304.347 -0.333 30 20 DBED CC(C)(C)CN(CC(=O)O)S(=O)(=O)N1CCO[C@H](C#N)C1 596026220 FEUBAZNJHKDYGS-SNVBAGLBSA-N 319.383 -0.112 30 20 DBED COCCOCCOCCS(=O)(=O)N1CC[C@](F)(C#N)C1 619795908 KGGMXFVNCVJDHO-LBPRGKRZSA-N 324.374 -0.067 30 20 DBED CC#CC[C@H](CO)NC(=O)C(=O)Nc1cc(C(N)=O)ccc1C 646954173 UJJFEEBZISSSPW-GFCCVEGCSA-N 317.345 -0.077 30 20 DBED C=CCC[C@H](CO)NC(=O)NCC(C)(C)NS(C)(=O)=O 655516863 KOGHBIJHWMAOIM-SNVBAGLBSA-N 307.416 -0.060 30 20 DBED C#CCCCNS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 742333728 PFSBCFZBLRBCCG-UHFFFAOYSA-N 307.331 -0.092 30 20 DBED C#CCCN1CCN(CC(=O)N2CCN(C(C)=O)CC2)CC1 762294166 MFEJSLFKAVOTKT-UHFFFAOYSA-N 306.410 -0.682 30 20 DBED C[C@H]1C[C@H]1C=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 771897690 QJEFFEJNIGMKEI-YUMQZZPRSA-N 300.340 -0.996 30 20 DBED Cc1cccc(NC(=O)C(=O)NN2CC(=O)N(C)C2=O)c1C#N 785306420 QAHFJQPIWUOKQR-UHFFFAOYSA-N 315.289 -0.270 30 20 DBED COC(=O)[C@H]1CCN(C(=O)C(=O)Nc2cnn(CC#N)c2)[C@H]1C 787914197 MIZHJOFFNCNDJC-ONGXEEELSA-N 319.321 -0.245 30 20 DBED S=C(NCCCN1CCOCC1)NN=Cc1cnccn1 807948676 QAJMAEOMBFAHFI-UHFFFAOYSA-N 308.411 -0.003 30 20 DBED CC#CCS(=O)(=O)NC(=O)c1cn(C2CCOCC2)nn1 810778295 ZUBYYLKAWSDTGB-UHFFFAOYSA-N 312.351 -0.288 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCO[C@@H](C)C2)c1=O 813178402 DNJUOYZZPFJOKI-LBPRGKRZSA-N 322.365 -0.778 30 20 DBED O=C(CN1C(=O)COc2ccccc21)N[C@H]1CCCN(O)C1=O 816754784 LMKKUSGDYOTQCW-JTQLQIEISA-N 319.317 -0.092 30 20 DBED C=C(Br)Cn1c(=O)c(-c2nn[nH]n2)cn(C)c1=O 823873551 MYIZYHIIYYGPAT-UHFFFAOYSA-N 313.115 -0.364 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@H](OCCN2CCOCC2)C1 826928832 KCAGVNBEKTUKSZ-CABCVRRESA-N 310.394 -0.026 30 20 DBED C[C@H](OC(=O)[C@@H]1CCS(=O)(=O)N1)C(=O)NC1(C#N)CCC1 845377059 XHFCMVPFEHPJDB-IUCAKERBSA-N 315.351 -0.828 30 20 DBED O=C(CN1C(=O)NC2(CCCC2)C1=O)N[C@@H]1CCCN(O)C1=O 848137752 JBTSDNDTZYUZNG-SECBINFHSA-N 324.337 -0.653 30 20 DBED C[C@@](C#N)(NC(=O)COC(=O)[C@@H]1CCCS1(=O)=O)C1CC1 848861681 RWNLNZZZFWAXIU-GWCFXTLKSA-N 314.363 -0.085 30 20 DBED C#CC[C@H](CO)NC(=O)[C@](C)(O)CN1Cc2ccccc2C1=O 854543611 YKGAASACUUPDNT-CXAGYDPISA-N 316.357 -0.106 30 20 DBED CCCCCNC(=O)[C@@H](C#N)C(=O)CN1CC(=O)N(C)C1=O 860463770 HEZHYTWKBWXSQL-JTQLQIEISA-N 308.338 -0.104 30 20 DBED O=C(C#Cc1ccc2c(c1)OCO2)N1C[C@@H](CO)[C@H](CO)C1 862580999 TXJADLXVAFBDMK-STQMWFEESA-N 303.314 -0.174 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N[C@@H]1CCN(C2CC2)C1 875133643 MRETXAFWSSQKDW-QWHCGFSZSA-N 307.394 -0.116 30 20 DBED C#CCN1CCC[C@@H](NS(=O)(=O)CCC(=O)OCC)C1 885511954 PURGLKWJCKLACY-GFCCVEGCSA-N 302.396 -0.043 30 20 DBED C#CC1(O)CN(S(=O)(=O)c2cc(F)cc(C(=O)OC)c2)C1 908228656 QQFRVQXONLMIMQ-UHFFFAOYSA-N 313.306 -0.019 30 20 DBED C#CC1(O)CN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C)C1 908229140 MOEAUPRULVNYGU-UHFFFAOYSA-N 306.343 -0.426 30 20 DBED CN1CCN(C(=O)CNC(=O)c2ccc(C#N)cc2)[C@H](CO)C1 912739666 DROAFWMDILYXKC-AWEZNQCLSA-N 316.361 -0.577 30 20 DBED C[C@H](OC(=O)CSCC#N)C(=O)N1CCC[C@@H](C(N)=O)C1 915386439 LWSFWPGBPNHVGY-VHSXEESVSA-N 313.379 -0.101 30 20 DBED C#C[C@H](NC(=O)C(=O)NCC1CC2(C1)OCCO2)[C@H]1CCCO1 930471982 ZUEIAKZYOQGCGR-QWHCGFSZSA-N 322.361 -0.447 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC(NC(=O)C(N)=O)CC1 946902352 SVUHBUAFKZUBTM-NEPJUHHUSA-N 309.366 -0.440 30 20 DBED C[C@H]1C[C@H](NC(=O)CN2CC(=O)N(C)C2=O)CCN1CC#N 947925392 OZMLSADMMZRJAH-WDEREUQCSA-N 307.354 -0.627 30 20 DBED C=CCN1CCC[C@H](N(C)C(=O)CN2CCNC(=O)C2)CC1 948670853 ZNPCEWGBHOOSHE-AWEZNQCLSA-N 308.426 -0.083 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(CC1)CN([C@@H](C)C(N)=O)CCO2 949320760 VAMDXGQRUCUXMY-RYUDHWBXSA-N 308.382 -0.287 30 20 DBED C=C(C)CN1CCOC2(CCN(C(=O)[C@H]3CNC(=O)N3)CC2)C1 949454074 BRXVDERUZVXYBN-CYBMUJFWSA-N 322.409 -0.063 30 20 DBED C[C@H](C#N)C(=O)N1CCC(N(C)C(=O)[C@H]2CCC(=O)N2)CC1 953813502 OPBJXVVUPPXOOB-ZYHUDNBSSA-N 306.366 -0.126 30 20 DBED CCn1nc(C(=O)N(C)C2CN(C(=O)[C@H](C)C#N)C2)ccc1=O 955015356 PPSUNWOIZHKKET-SNVBAGLBSA-N 317.349 -0.294 30 20 DBED N#CCN1C[C@@H](O)[C@H](CNC(=O)c2n[nH]c3c2CCCC3)C1 958205575 AVTFIEYTEOFOCL-ZWNOBZJWSA-N 303.366 -0.165 30 20 DBED CC#CCN1C[C@H](CNC(=O)c2cc(C(N)=O)co2)[C@@H](O)C1 958403557 HLLRMVAICLVXLR-RYUDHWBXSA-N 305.334 -0.576 30 20 DBED C#CCN1C[C@H]2[C@H](NC(=O)[C@H]3CN4CC5CC4(CO3)C5)[C@H]2C1 961284292 SCQQYEANBJJDEC-VCAPWORMSA-N 301.390 -0.471 30 20 DBED C#CCN1C[C@@H]2C(NC(=O)c3c4n(c(=O)n3C)CCCC4)[C@H]2C1 961770098 GFKYXDGKWFWVGG-RYUDHWBXSA-N 314.389 -0.184 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)C2CC(F)(F)C2)C1 962157871 PVHIAZUNDVVWEV-QNSHHTMESA-N 301.293 -0.121 30 20 DBED N#CCN1C[C@H]2C(NC(=O)C[C@H]3CCCS(=O)(=O)C3)[C@@H]2C1 962229025 PDOUFJIBLXXBES-IJLUTSLNSA-N 311.407 -0.229 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@@H]3[C@H]2CCCN3C(=O)C(N)=O)c1 963506436 BMNSRLWCXHCJNB-VXGBXAGGSA-N 315.333 -0.423 30 20 DBED C[C@@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)C[C@@H]1CCNC1=O)C2 969812236 WFAMYMNFQRTUHS-CYDGBPFRSA-N 318.377 -0.126 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](NCc2nnn(C)n2)C1 970016591 DKONAFBGRGBJMW-UTUOFQBUSA-N 306.370 -0.508 30 20 DBED O=C(N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O)c1cccnn1 970046044 ZPNBTNIKTYSTSH-OLZOCXBDSA-N 300.318 -0.809 30 20 DBED CO[C@H](C)C(=O)N1CCN(C(=O)N2CCN(CC#N)CC2)CC1 985823812 YXWLYLXLONOZCT-CYBMUJFWSA-N 323.397 -0.573 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)c3cnnn3C)C[C@H]2C1 986594341 JHJDOQSMWDDKNN-UTUOFQBUSA-N 316.365 -0.105 30 20 DBED N#Cc1c[nH]c(C(=O)NC2CN(C(=O)C[C@@H]3CCC(=O)N3)C2)c1 990695791 NWYFLOZPGUWGMQ-JTQLQIEISA-N 315.333 -0.504 30 20 DBED C#Cc1cncc(C(=O)N2CC(NC(=O)[C@@H](C)n3cncn3)C2)c1 990916654 BWEQEWSKQUJSOV-LLVKDONJSA-N 324.344 -0.144 30 20 DBED CSCC(=O)N1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H](O)C1 991399884 HJZRJJOKYFNKBM-JQWIXIFHSA-N 322.390 -0.059 30 20 DBED O=C(N[C@@H]1CCN(C(=O)C#CC2CC2)C[C@H]1O)c1cccnn1 991700999 AHZYWCDTEWAJDT-TZMCWYRMSA-N 314.345 -0.418 30 20 DBED C#CCN1CCC[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)[C@@H]1C 993916157 KPYBKJIBOBMXBX-AAEUAGOBSA-N 318.377 -0.700 30 20 DBED C[C@H](C#N)C(=O)N1CC(NC(=O)[C@@H]2CCc3cncn3C2)C1 994616739 SENYGGJITZCWOR-GHMZBOCLSA-N 301.350 -0.068 30 20 DBED C#CCN1CC[C@H](n2cc(CNC(=O)c3ccnnc3)nn2)C1 1000023506 CNMLSTVHQLPPKT-AWEZNQCLSA-N 311.349 -0.122 30 20 DBED C#CCN1CC=C(CNC(=O)c2ccc(S(N)(=O)=O)o2)CC1 1000904905 XDFBIHJOXALRSH-UHFFFAOYSA-N 323.374 -0.078 30 20 DBED C[C@@H]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)CN1C(=O)CC(N)=O 1012408214 OLNGRLIUFRJJEI-LDYMZIIASA-N 303.322 -0.519 30 20 DBED C=CCN1CCC2(CC1)C[C@@H]2NC(=O)CN1CCN(C)C(=O)C1 1016700037 NCBNSHXQJREOOW-AWEZNQCLSA-N 320.437 -0.083 30 20 DBED C=C(C)CN[C@H]1C[C@H](NC(=O)Cn2ncn3nccc3c2=O)C1 1020668631 HUZNOUDTAXGXLI-HAQNSBGRSA-N 316.365 -0.296 30 20 DBED CCn1ncc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2O)c1C 1025277146 WOFOKQRFRVZFNY-OASPWFOLSA-N 319.365 -0.327 30 20 DBED C=C(C)CN[C@@H]1CC[C@@H]2CN(C(=O)CN3CCNC(=O)C3)C[C@H]21 1026330568 JNXQYEVMSSIMQL-RBSFLKMASA-N 320.437 -0.179 30 20 DBED C#CCN(C)[C@@H]1CCCN(C(=O)c2cc(=O)n3[nH]cnc3n2)C1 1027648930 YYNJMJHJIWVYGA-LLVKDONJSA-N 314.349 -0.413 30 20 DBED C=C(Br)CN1CC(NC(=O)[C@H]2C[C@H]2C(N)=O)C1 1030968342 KZRMICHERCRXKA-BDAKNGLRSA-N 302.172 -0.183 30 20 DBED CC#CCN1CC[C@H](N(C)C(=O)c2cn(C)c(=O)n(C)c2=O)C1 1033472361 HLBSCWYJSPYQHQ-LBPRGKRZSA-N 318.377 -0.746 30 20 DBED CC#CCN1CCCC[C@@H](NC(=O)CN2CCOCC2=O)C1 1034245099 MVIJMNBKOBROAJ-CQSZACIVSA-N 307.394 -0.161 30 20 DBED C#CCN1CCO[C@H](CNC(=O)c2nc(OC)cc(OC)n2)C1 1035414999 XDRFCESQRDCNBR-LLVKDONJSA-N 320.349 -0.442 30 20 DBED C#CCN1CCO[C@H](CNC(=O)c2c3c(nn2C)CCC3)C1 1035576148 FVJQYNJDAISEPW-GFCCVEGCSA-N 302.378 -0.027 30 20 DBED CC#CCN1CC2(CCN(C(=O)C3CS(=O)(=O)C3)CC2)C1 1035714852 SNTHWUDAVQUBHD-UHFFFAOYSA-N 310.419 -0.021 30 20 DBED C#CCN1CC[C@H]2CN(C(=O)CCn3ncn(C)c3=O)CC[C@H]21 1036778577 VIOIPTZUTDHWLJ-UONOGXRCSA-N 317.393 -0.472 30 20 DBED C[C@@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(Cc1nnn(C)n1)CC2 1039347036 QXZJKFWOMWGXKM-SRVKXCTJSA-N 303.370 -0.065 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)c2cnnc(O)c2)C1 1040130760 UESPDHKNJDRJFI-LKFCYVNXSA-N 319.321 -0.965 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)CCc2ccon2)C1 1040294560 ODRRGYUDVFNUKN-XHDPSFHLSA-N 320.349 -0.154 30 20 DBED N#CCN1CCC[C@@]2(CCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C2)C1 1040423821 HXLOHRDTUKSGCS-XHDPSFHLSA-N 319.365 -0.577 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2ccc[nH]2)C1 1041442208 BHOZLACQLFFNCE-NSHDSACASA-N 305.334 -0.644 30 20 DBED Cc1nc(C(=O)NCC2(O)CN(C(=O)C#CC(C)C)C2)co1 1042744410 JIKHSPBHQKZCRE-UHFFFAOYSA-N 305.334 -0.054 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)c2cncnc2O)C1 1042801722 RKGVXQRCTMNYCD-UHFFFAOYSA-N 318.333 -0.711 30 20 DBED C=CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)[C@H](C)OC)C1 1043570216 GRXOMKJCXPMZAX-QWRGUYRKSA-N 300.355 -0.698 30 20 DBED C=C(C)C(C)(C)C(=O)NCC1(O)CN(C(=O)[C@@H]2CCNC2=O)C1 1044410369 RKQDTLOPFKKCBF-LLVKDONJSA-N 323.393 -0.586 30 20 DBED CC#CCCCC(=O)N1CC(O)(CNC(=O)CCN(C)C)C1 1045720427 QWOIYZNUHUFRRB-UHFFFAOYSA-N 309.410 -0.179 30 20 DBED C#CCCN1CC[C@@](C)(NC(=O)[C@H]2CN(C(C)=O)CCO2)C1 1046815201 QAMFOZQUIGSHCZ-GDBMZVCRSA-N 307.394 -0.162 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cc3n(n2)CCC3)C1 1047403514 JDHNUWAJGQUSGY-GJZGRUSLSA-N 302.378 -0.030 30 20 DBED N#CCN1C[C@H]2CN(C(=O)[C@@]34C[C@H]5C[C@H](C(=O)N3)[C@H]4C5)C[C@H]2C1 1048902257 BADJCCFZBGLPRA-UCHTXWJOSA-N 314.389 -0.185 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CN(C)C(=O)N2)C1 1049159049 BORAPIKXAZFDSP-WOPDTQHZSA-N 324.381 -0.994 30 20 DBED CNC(=O)CC(=O)N[C@@H](C)[C@H]1CCN(C(=O)C#CC2CC2)C1 1050666132 OHIFCKNQYHIILC-AAEUAGOBSA-N 305.378 -0.111 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)CNC(N)=O)C[C@@H]1C 1051928906 QSYXBRPHUNFWNV-QWRGUYRKSA-N 312.370 -0.932 30 20 DBED C#CCN1CC2(C1)CN(C(=O)[C@H]1CN(CC)CCO1)CCO2 1053537777 MMAXNVYTZRVBNP-CQSZACIVSA-N 307.394 -0.747 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)c3ccc(O)nn3)CO2)C1 1053728928 DKWXAAIWNUXDJZ-NSHDSACASA-N 302.334 -0.221 30 20 DBED CC(C)C#CC(=O)N1C[C@@H]2CN(C(=O)[C@H]3CCNC3=O)C[C@@H]2C1 1055329578 SBAYNQKNKMARAC-MJBXVCDLSA-N 317.389 -0.301 30 20 DBED N#Cc1nccc(N2CCN(C(=O)CN3CCCC3=O)CC2)n1 1055725596 ZKUIGBUADGULBB-UHFFFAOYSA-N 314.349 -0.381 30 20 DBED N#Cc1nccc(N2CCN(C(=O)[C@@H]3COCCO3)CC2)n1 1055727884 MCUGWDPHJXCQJK-NSHDSACASA-N 303.322 -0.588 30 20 DBED C=CCOCC(=O)N1CCC[C@@](CO)(NC(=O)c2cnco2)C1 1056023206 MBLHNYWHRSDDBE-OAHLLOKOSA-N 323.349 -0.040 30 20 DBED Cc1nonc1C(=O)N1CCC[C@@](CO)(NC(=O)[C@H](C)C#N)C1 1056095504 CGKBZUBQHNLSKF-YMTOWFKASA-N 321.337 -0.379 30 20 DBED Cc1ccc(C#N)c(N2C[C@H]3[C@H](NC(=O)Cn4cnnn4)[C@H]3C2)n1 1056128803 NVRMZVIBBIHXGN-IMRBUKKESA-N 324.348 -0.501 30 20 DBED Cn1ncc(C(=O)N[C@H]2[C@@H]3CN(c4nccnc4C#N)C[C@@H]32)n1 1056257354 PYVSOIFPUAZIOX-GDGBQDQQSA-N 310.321 -0.659 30 20 DBED CCCOCC(=O)N(CCO)CCNC(=O)CSCC#N 1057141451 YACOBAHHYUOWTM-UHFFFAOYSA-N 317.411 -0.393 30 20 DBED C=CCO[C@H](C)C(=O)N(CCO)CCNC(=O)CCOCC 1057921696 NPBOBFQMQSCDFN-CYBMUJFWSA-N 316.398 -0.059 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)C[C@H]1CCCC(=O)N1 1058206579 NQCMDZYYFYOURD-NWDGAFQWSA-N 324.381 -0.858 30 20 DBED CC(C)[C@H](C(=O)N(CCO)CCNC(=O)C#CC1CC1)N(C)C 1058251042 SLQXIADLWYDLKR-MRXNPFEDSA-N 323.437 -0.077 30 20 DBED C=C(C)C[C@@H](C)C(=O)N(CCO)CCNC(=O)c1ncn(C)n1 1058464304 SJEWRRIJNKSORA-GFCCVEGCSA-N 323.397 -0.032 30 20 DBED C=C[C@](C)(CC)C(=O)N(CCO)CCNC(=O)CC(=O)NC 1058728034 IKWMZJNXHPZWJQ-OAHLLOKOSA-N 313.398 -0.338 30 20 DBED N#Cc1ccc(N2C[C@@H]3CC[C@H](C2)N3C(=O)Cn2ncnn2)nc1 1058778170 MVCHBWDVIGXPBH-BETUJISGSA-N 324.348 -0.180 30 20 DBED C=CCOCC(=O)NCC[C@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 1060060499 CSLJANBBUMCEAW-QWHCGFSZSA-N 323.393 -0.320 30 20 DBED N#Cc1nccnc1NC[C@@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 1060955493 SXPDTLJGLPGRRM-QWRGUYRKSA-N 314.349 -0.255 30 20 DBED C=CCCOCC(=O)N1CCOC[C@@H]1CNC(=O)[C@H](C)OC 1061366742 ALKPJJLNYMRFDH-STQMWFEESA-N 314.382 -0.042 30 20 DBED C=CCOCC(=O)NC[C@@H]1COCCN1C(=O)C#CC1CC1 1061424431 UKEHVWXVBMFDIX-CQSZACIVSA-N 306.362 -0.054 30 20 DBED C=CCOCC(=O)NC[C@@H]1COCCN1C(=O)c1ncccn1 1061426121 KVYFMYIOJPDDNR-GFCCVEGCSA-N 320.349 -0.364 30 20 DBED C=C(C)CCC(=O)NC[C@@H]1COCCN1C(=O)CNC(C)=O 1061629318 QSSHJHLVVQXPEN-CYBMUJFWSA-N 311.382 -0.178 30 20 DBED N#Cc1cncc(N2CC[C@H](CNC(=O)[C@H]3CCNC3=O)C2)n1 1061694495 JRCPICJTKNOHBZ-PWSUYJOCSA-N 314.349 -0.573 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)[C@H]2CCNC(=O)C2)CCC1 1062794580 JVQVWAKVOUXHMT-QWRGUYRKSA-N 306.366 -0.173 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)COCCN(C)C)CCC1 1064306520 KGKWKMVBOHAUQU-LBPRGKRZSA-N 310.398 -0.121 30 20 DBED C=CCOCC(=O)N1CCO[C@H](CNC(=O)c2c[nH]nc2C)C1 1064973620 ALPNOFYVSMZUDD-GFCCVEGCSA-N 322.365 -0.122 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCO[C@H](CNC(=O)c2cn[nH]c2)C1 1065096290 CBCVWFFTASFRFS-IUODEOHRSA-N 322.365 -0.306 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CN(C(=O)c2cncnc2O)CCO1 1065284494 MAZUTQICUDCKHQ-UWVGGRQHSA-N 319.321 -0.701 30 20 DBED C[C@]1(CNc2cnc(C#N)cn2)CCN(C(=O)CC(N)=O)C1 1065402960 LRKBNJHNXYNNGE-CQSZACIVSA-N 302.338 -0.126 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)C(=O)NCC2CC2)CCO1 1065530033 ASLZYQVOWVVAQT-ZDUSSCGKSA-N 323.393 -0.178 30 20 DBED CN(C(=O)c1cc[nH]c1)[C@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1065625629 CBZZZRJBYLUWTN-RYUDHWBXSA-N 312.333 -0.002 30 20 DBED N#Cc1ccc(N2C[C@H](CNC(=O)c3ccnnc3)[C@@H](O)C2)cn1 1067693949 SALALYOJBHVYMB-WFASDCNBSA-N 324.344 -0.030 30 20 DBED C#Cc1cncc(C(=O)N(C)CCCN(C)C(=O)C(N)=O)c1 1068055413 XGKRLCMDXNMCMT-UHFFFAOYSA-N 302.334 -0.531 30 20 DBED Cn1ncc(C(=O)NCC2[C@@H]3CN(c4ccc(C#N)nn4)C[C@@H]23)n1 1068177476 FXYIMVWIMFHSMK-RYUDHWBXSA-N 324.348 -0.411 30 20 DBED C=CCOCC(=O)N1CC2(C1)CN(C(=O)[C@@H]1CCCO1)CCO2 1068289329 XVTLOUYPGXZSIN-ZDUSSCGKSA-N 324.377 -0.192 30 20 DBED C[C@@H]1C[C@@H](N=c2cc[nH]c(C#N)n2)CN1C(=O)c1cnn(C)n1 1069119056 NFBUMLCTRWJNPY-NXEZZACHSA-N 312.337 -0.386 30 20 DBED Cc1cc(C#N)nc(N2CC[C@@]3(NC(=O)C(N)=O)CCC[C@@H]23)n1 1069282045 GZJIVXUAUBTYMT-ABAIWWIYSA-N 314.349 -0.240 30 20 DBED N#CCSCC(=O)N1CCC[C@@H](NC(=O)C2(C(N)=O)CC2)C1 1070453278 NPEIPKCVDLSTKH-SNVBAGLBSA-N 324.406 -0.384 30 20 DBED N#CCN1CCNC(=O)CCN(C(=O)Cc2cnc[nH]2)CC1 1071004385 CVWVMCGGCZXPSA-UHFFFAOYSA-N 304.354 -0.874 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CCCN(C(=O)c2nc[nH]n2)C1 1071093848 FVBWXZHYWJFBDA-WDEREUQCSA-N 305.338 -0.436 30 20 DBED C#CCN1CCN([C@H]2CCCN(C(=O)[C@H](C)C#N)C2)C(=O)C1 1071259122 YXNSTCMJUAKHFY-KGLIPLIRSA-N 302.378 -0.086 30 20 DBED C=CCN1CCO[C@H]2CCN(C(=O)c3cn(C)c(=O)cn3)C[C@@H]21 1074302214 NAMDMBVWGMVGFI-KBPBESRZSA-N 318.377 -0.118 30 20 DBED C#CCOCCC(=O)N[C@@H](C)CCNC(=O)C[C@@H]1CCNC1=O 1076852052 LRRUQSLXTOCVEC-STQMWFEESA-N 323.393 -0.437 30 20 DBED C#CCOCCC(=O)N[C@@H](C)CCNC(=O)Cn1ccnc1 1077185949 YLRQMWXMSYLYIK-ZDUSSCGKSA-N 306.366 -0.066 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2cnc3sccn3c2=O)C1 1077335531 VPFXIYNIFUWTEJ-GHMZBOCLSA-N 318.358 -0.836 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)c2cc(=O)c(OC)c[nH]2)C1 1077388955 BMSDLGSTVJFPKM-DGCLKSJQSA-N 305.334 -0.818 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3nnc(C)n3C2)C1 1078219478 BOSCHWFZAWTBSY-BFHYXJOUSA-N 319.409 -0.114 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2ccc3c(c2)nc(O)n3C)C1 1078234247 PPBPNLGJANUKRP-TZMCWYRMSA-N 314.345 -0.313 30 20 DBED CCN(C(=O)CC(N)=O)C1CN(C(=O)c2c[nH]c(C#N)c2)C1 1079528621 PKYYIFJNCZODOB-UHFFFAOYSA-N 303.322 -0.565 30 20 DBED CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)[C@@H]2CCN(C)C2=O)C1 1080421589 KNTYQRKUKDPFRV-CMPLNLGQSA-N 306.366 -0.316 30 20 DBED CCN(C(=O)[C@@]1(C)CCNC1=O)C1CN(C(=O)[C@@H](C)C#N)C1 1080549154 SFYMGTDUZKKSGA-BONVTDFDSA-N 306.366 -0.268 30 20 DBED CC#CCN1C[C@@H](NC(=O)c2nc(O)nc(O)c2OC)[C@H](C)C1 1080775447 IURVYLGHACODAR-NXEZZACHSA-N 320.349 -0.030 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2ccc[nH]2)C1 1081247717 GSUPQBBLNAOLME-YPMHNXCESA-N 307.350 -0.234 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@H](CNC(=O)CCCOC)C1 1081302663 MUWOXLNATINQBR-OLZOCXBDSA-N 314.382 -0.449 30 20 DBED Cc1nn[nH]c1C(=O)N1C[C@H](O)[C@H](CNC(=O)C#CC(C)C)C1 1081463755 RRTBQESZTJKREY-NEPJUHHUSA-N 319.365 -0.678 30 20 DBED CC(C)N(C)CC(=O)N1C[C@@H](O)[C@H](CNC(=O)C#CC2CC2)C1 1081474264 OYEVDBMBVQJVIY-HUUCEWRRSA-N 321.421 -0.325 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2ccc3c(c2)OCC(=O)N3)C1 1083526661 CIDPTFWGFVOSDV-NEPJUHHUSA-N 316.317 -0.684 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2cnc3sccn3c2=O)C1 1083618215 VPFXIYNIFUWTEJ-MNOVXSKESA-N 318.358 -0.836 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)[C@@]2(C)CCC(=O)NC2)C1 1083715850 DJVLJDUEVOOMSZ-SUNKGSAMSA-N 315.801 -0.184 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCCN2C(=O)C(C)C)C1 1084070168 BNVLVHFETZMGGU-MCIONIFRSA-N 307.394 -0.572 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@H]2CCOC2)C[C@H]1c1cnn(C)c1 1086970419 QVZKPVUTLAMQBF-AEGPPILISA-N 302.378 -0.026 30 20 DBED C=CCN1CC[C@@H]2CN(C(=O)CCn3ncn(C)c3=O)C[C@@H]2C1 1088052368 MJAXXNVZZHYOLY-KGLIPLIRSA-N 319.409 -0.062 30 20 DBED CC#CCN1CC[C@@H]2CN(C(=O)C[C@H]3CC(=O)NC3=O)C[C@@H]2C1 1088224222 OOMSBBKNSCPXFJ-MCIONIFRSA-N 317.389 -0.157 30 20 DBED Cc1nc(N2CCCO[C@H](CNC(=O)C(N)=O)C2)ccc1C#N 1089556781 LPROJROFJMZWNV-GFCCVEGCSA-N 317.349 -0.542 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)c2cc(=O)n(C)cn2)[C@H](O)C1 1090337530 SADLQMSSOKQZCT-DGCLKSJQSA-N 306.366 -0.479 30 20 DBED C#CCN1CC[C@H](NC(=O)C(C)(C)N2CCOCC2)[C@H](O)C1 1090639915 FNAVKQUQZOZBEZ-UONOGXRCSA-N 309.410 -0.718 30 20 DBED N#CCNC1CC(CNC(=O)[C@@H]2CN3CC4CC3(CO2)C4)C1 1091151194 PIUHVLSLSBZANA-IXUJDMMCSA-N 304.394 -0.142 30 20 DBED CSCC(=O)N[C@H]1CCN(c2cncc(C#N)n2)C[C@H]1O 1092147851 JRPQDZSDTKWJKP-WDEREUQCSA-N 307.379 -0.233 30 20 DBED Cc1cc(N2C[C@H]3[C@H](NC(=O)[C@@H](C)C#N)[C@H]3C2)nc(CO)n1 1093233497 ASYAIKLWZWZXNI-HJUHTLPRSA-N 301.350 -0.012 30 20 DBED C[C@H](C#N)C(=O)N1CC(n2cc(CNC[C@H]3CCOC3)nn2)C1 1093311549 FGIGBWLTYCKFHO-VXGBXAGGSA-N 318.381 -0.053 30 20 DBED Cn1cc(C(=O)NCCNc2cncc(C#N)n2)n(C)c1=O 1093683772 HNMDAMVAINIUAG-UHFFFAOYSA-N 301.310 -0.773 30 20 DBED C[C@@]1(C(=O)NCCNc2cnc(C#N)cn2)CCCS1(=O)=O 1093721373 MGBHBPPZPSKVGW-ZDUSSCGKSA-N 323.378 -0.156 30 20 DBED N#Cc1nc(=NCCNC(=O)COC2CCOCC2)cc[nH]1 1093863595 UGPWGQPLTNIWQC-UHFFFAOYSA-N 305.338 -0.506 30 20 DBED C[C@@H](C(=O)NCCNc1nccnc1C#N)[C@@H]1CCC(=O)N1 1094132893 IGKGMEZFAAQTKZ-ZJUUUORDSA-N 302.338 -0.209 30 20 DBED COCC(=O)N[C@@H](C)C(=O)NCCNc1nc(C)ccc1C#N 1094185247 MFFDYRCEUYHWRB-NSHDSACASA-N 319.365 -0.059 30 20 DBED N#Cc1nccnc1NCCNC(=O)C[C@@H]1CCCC(=O)N1 1094258483 OQQQNJCADUZUHD-JTQLQIEISA-N 302.338 -0.065 30 20 DBED C=CCN1CC(n2cc(CNC(=O)[C@@H]3CCNC3=O)nn2)C1 1094309627 IESKVAKQNNRDTN-GFCCVEGCSA-N 304.354 -0.927 30 20 DBED C#CCO[C@H](C)C(=O)NCCCNc1ncnc2c1nnn2C 1094594627 LMLCZVOHHGRTMQ-SNVBAGLBSA-N 317.353 -0.285 30 20 DBED C#CCCN1CC(N2C[C@H](NC(=O)Cc3cnoc3)CC2=O)C1 1094778013 IUPSVOLVNGWZGV-CYBMUJFWSA-N 316.361 -0.358 30 20 DBED CNC(=O)CC(=O)N1CC[C@H](N(C)c2nccnc2C#N)C1 1095113126 MTMCVLHZVUGYLB-JTQLQIEISA-N 302.338 -0.479 30 20 DBED CN(CCCNC(=O)C[C@H]1CCC(=O)N1)c1ccnc(C#N)n1 1095591586 GTTSMXCLNWAJIY-LLVKDONJSA-N 316.365 -0.041 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCN(c2ccc(C#N)cn2)C1 1096361212 XQQXTYHFTMYZPF-CYBMUJFWSA-N 311.345 -0.212 30 20 DBED N#Cc1c[nH]ccc1=N[C@H](CNC(=O)[C@@H]1CNC(=O)N1)C1CC1 1096801225 XIMSXLGFVOTJLQ-OLZOCXBDSA-N 314.349 -0.637 30 20 DBED C[C@H](C(=O)N[C@H]1C[C@H](Nc2ccc(C#N)nn2)C1)S(C)(=O)=O 1097113162 JLBHFPZQMLRVAL-FBIMIBRVSA-N 323.378 -0.160 30 20 DBED CNC(=O)NCCC(=O)NC[C@H](C)Nc1nccnc1C#N 1097805993 IJFBLNWSCOJWQI-VIFPVBQESA-N 305.342 -0.416 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CCC(C)(C)CN1CC(=O)NC(N)=O 1098982544 LOKOMGGQMYBVEI-QWRGUYRKSA-N 323.397 -0.052 30 20 DBED C[C@@H](CCNC(=O)[C@@H]1CN(C)C(=O)N1)Nc1ccc(C#N)nn1 1099617442 VGQXCIJEZFOVBE-ONGXEEELSA-N 317.353 -0.321 30 20 DBED C[C@H](CCNC(=O)CC(=O)N(C)C)N=c1cc[nH]c(C#N)n1 1099722420 OFIBQRUQSRIFHI-SNVBAGLBSA-N 304.354 -0.445 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CCCNC(=O)C2CC2)[C@@H](O)C1 1099863288 LHSGAJJACROPLE-CABCVRRESA-N 321.421 -0.133 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)Cn2cncc2C)[C@@H](O)C1 1099918350 KNWKPKLDLXOWFH-CABCVRRESA-N 320.393 -0.607 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)Cc2cnc[nH]2)[C@H](O)C1 1100018800 XXESZAFNPKMPEB-ZIAGYGMSSA-N 308.382 -0.294 30 20 DBED C#CCN1CC[C@H](NC(=O)COCc2ccncc2)[C@@H](O)C1 1100052941 HNMVNGJLLSVQTP-GJZGRUSLSA-N 303.362 -0.217 30 20 DBED CN(CCNC(=O)c1cc(=O)n(C)cn1)c1ncccc1C#N 1100389842 IUQBQOUYXSIDSS-UHFFFAOYSA-N 312.333 -0.087 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CCCN1c1nccn2nnnc12 1100810564 WQKRDMQWKYAVOR-ZJUUUORDSA-N 300.326 -0.236 30 20 DBED N#CCNC1CC(CNC(=O)CCC(=O)N2CCOCC2)C1 1100947520 SENLJIFGRCOCEE-UHFFFAOYSA-N 308.382 -0.367 30 20 DBED Cc1nccc(C(=O)NCC2CC(NCC(=O)NCC#N)C2)n1 1100991204 VRSGUZOIBCHJJN-UHFFFAOYSA-N 316.365 -0.477 30 20 DBED C=C(C)CCNC1CC(CNC(=O)CS(=O)(=O)NC)C1 1100996425 SFYYRLTZMQQTLK-UHFFFAOYSA-N 303.428 -0.014 30 20 DBED CN(CCN=c1cc[nH]cc1C#N)C(=O)C[C@@H]1CCNC1=O 1101823033 LRUVZPMGPJQBGJ-NSHDSACASA-N 301.350 -0.228 30 20 DBED CN(CCNc1ccc(C#N)nn1)C(=O)C(=O)NCC(F)F 1101853132 ULJVJEJRVYSBCN-UHFFFAOYSA-N 312.280 -0.400 30 20 DBED CN(C(=O)CNC(N)=O)[C@@H]1CCN(c2ccc(C#N)cn2)C1 1102668142 FSOIGFKPMYFLHP-LLVKDONJSA-N 302.338 -0.341 30 20 DBED Cc1cc(C#N)nc(N2CC[C@H](N(C)C(=O)CC(N)=O)C2)n1 1102680605 KJUOCACUIXKBIU-NSHDSACASA-N 302.338 -0.431 30 20 DBED CC[C@H](CNC(=O)[C@H]1CCNC(=O)C1)N=c1cc[nH]c(C#N)n1 1103041077 NFOSMNDAANEYMA-WDEREUQCSA-N 316.365 -0.397 30 20 DBED CC[C@@H](CNC(=O)c1cn(C)c(O)n1)N=c1cc[nH]c(C#N)n1 1103294841 ITZIKLGYVOJMGK-VIFPVBQESA-N 315.337 -0.170 30 20 DBED COCC(=O)NCCC(=O)N1C[C@@H](C)[C@H](CCNCC#N)C1 1104262655 GIGVNTFESAMEDN-CHWSQXEVSA-N 310.398 -0.263 30 20 DBED C[C@@H](CNc1ccc(C#N)nn1)N(C)C(=O)[C@@H]1CNC(=O)N1 1104785137 NXFJGJSCKBYRJC-WPRPVWTQSA-N 303.326 -0.712 30 20 DBED CC[C@@H](NC(C)=O)C(=O)N(C)[C@H](C)CN=c1cc[nH]c(C#N)n1 1104819192 LLVKEBXTANBNMD-ZYHUDNBSSA-N 318.381 -0.056 30 20 DBED C=CCCC(=O)N1CC(n2cc(CN[C@@H]3CCNC3=O)nn2)C1 1105185231 JUTIXCPTNXVNSL-CYBMUJFWSA-N 318.381 -0.394 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNc1cncc(C(=O)N(C)C)n1 1105773989 OOIRBTDGRPVHDS-NXEZZACHSA-N 320.353 -0.773 30 20 DBED C=CCNC[C@@H]1CN(C(=O)Cn2ccc(=O)n(C)c2=O)C[C@H]1C 1106211100 QOKPDWYQHQAGQJ-CHWSQXEVSA-N 320.393 -0.583 30 20 DBED C[C@H](CCNc1ccc(C#N)nn1)NC(=O)CN1CCOCC1 1106279946 PXRIRHFEUOJHML-GFCCVEGCSA-N 318.381 -0.013 30 20 DBED Cc1nonc1C(=O)N1C[C@@H](C)[C@H](CNCC(=O)NCC#N)C1 1107083891 RPCIWMCDRDJGAZ-MWLCHTKSSA-N 320.353 -0.685 30 20 DBED C[C@@H](CN(C)c1cncc(C#N)n1)NC(=O)c1nccnc1N 1108886272 WXMOYKAGFADYCN-VIFPVBQESA-N 312.337 -0.025 30 20 DBED C[C@@H](CN(C)c1cnc(C#N)cn1)NC(=O)Cn1cncn1 1108960940 WJTWOMXISFMORG-JTQLQIEISA-N 300.326 -0.419 30 20 DBED CNC(=O)NCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC#CCOC 1109235811 ZMIUOCABDLQLBB-RDBSUJKOSA-N 322.409 -0.323 30 20 DBED CNC(=O)NCC(=O)N[C@@H](C)CN(C)c1ncccc1C#N 1109287220 IHMMOEZHIMOQMQ-JTQLQIEISA-N 304.354 -0.177 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H](C)NS(=O)(=O)CC 1109313835 UBCPGWQURSYEJR-RNJOBUHISA-N 313.423 -0.331 30 20 DBED N#Cc1nc(=NC[C@@H](NC(=O)[C@@H]2CCNC2=O)C2CC2)cc[nH]1 1109946605 WTIFIWZBYDCGLA-GHMZBOCLSA-N 314.349 -0.787 30 20 DBED N#Cc1cnc(NC2(CNC(=O)[C@@H]3CCNC(=O)C3)CC2)cn1 1110120793 WIONBXDYXLYEBG-SNVBAGLBSA-N 314.349 -0.065 30 20 DBED CN1CC[C@H](C(=O)N(CCO)CCNc2cncc(C#N)n2)C1 1111475448 OAZHRZMFUOFYSA-LBPRGKRZSA-N 318.381 -0.467 30 20 DBED CCN(CC)CC(=O)N(CCO)CCN=c1cc[nH]cc1C#N 1111480703 FRTMSRYPLODEGC-UHFFFAOYSA-N 319.409 -0.050 30 20 DBED CC(=O)NCC(=O)NC[C@@H]1CN(c2ccncc2C#N)C[C@@H]1O 1112694725 JSMLLQCNCBYBRX-OCCSQVGLSA-N 317.349 -0.997 30 20 DBED N#Cc1nccc(N2C[C@H](O)[C@H](CNC(=O)C#CC3CC3)C2)n1 1112720907 REXBXMHIMFCJES-OLZOCXBDSA-N 311.345 -0.325 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(c2cnc(F)cn2)C[C@H]1O 1112738685 RHSVBUMOLDEADA-VXGBXAGGSA-N 322.340 -0.431 30 20 DBED C#CCNC(=O)CC(=O)N1CCN(CC[C@H]2CCOC2)CC1 1112777647 GWGGZYITVFMHCE-AWEZNQCLSA-N 307.394 -0.303 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)Cc2nonc2C)CC1 1113480876 MUCSNYBDDCGTIG-LBPRGKRZSA-N 321.381 -0.245 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)c3n[nH]c(C)c3O)[C@H]2C1 1114141268 QKMXZCARGUYAAC-GDNZZTSVSA-N 304.350 -0.266 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)c3ccc(=O)n(C)c3)[C@@H]2C1 1114516214 SWORWKJOUMZGHU-ZIAGYGMSSA-N 315.373 -0.305 30 20 DBED C=C(C)CN1C[C@H]2[C@H](NC(=O)CCCS(N)(=O)=O)[C@H]2C1 1114754499 CPAFUESWCXLVKO-PJXYFTJBSA-N 301.412 -0.322 30 20 DBED C=CCOCCN1C[C@H]2[C@H](NC(=O)[C@]3(C)CCC(=O)N3)[C@H]2C1 1114787238 ODWQPCQMKSKGRE-DMEJVMROSA-N 307.394 -0.096 30 20 DBED C[C@H](CCCN=c1cc[nH]c(C#N)n1)NC(=O)c1ncn(C)n1 1114920112 HZVNJINYJWMXRY-SNVBAGLBSA-N 314.353 -0.091 30 20 DBED COCCC(=O)NCCOCCN(C)c1cnc(C#N)cn1 1115163503 POMHZISQZCDIFX-UHFFFAOYSA-N 307.354 -0.046 30 20 DBED COCC#CCN1C[C@@H]2C(NC(=O)c3cnn4cc[nH]c34)[C@H]2C1 1115168056 OOXRYWLFJWGDAM-STQMWFEESA-N 313.361 -0.028 30 20 DBED C#CCN(C(=O)C(=O)Nc1cnn(CC(=O)NC)c1)C1CC1 1117783656 OOARHGBJHNBFLI-UHFFFAOYSA-N 303.322 -0.808 30 20 DBED Cc1cc(=O)n(C)cc1NC(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1118139909 BIWLBZLRFJJGOX-HNNXBMFYSA-N 318.333 -0.491 30 20 DBED C=CCN(C(=O)[C@H]1CCCS1(=O)=O)[C@@H]1CCS(=O)(=O)C1 1118370042 XZRBGYDPXTXALN-GHMZBOCLSA-N 321.420 -0.235 30 20 DBED C[C@H](CN(C)C(=O)C1(C(N)=O)CC1)Nc1cnc(C#N)cn1 1120555795 XXEVOJGJDLZWGX-SECBINFHSA-N 302.338 -0.127 30 20 DBED CCn1nccc1C(=O)NC[C@H](CO)Nc1cnc(C#N)cn1 1121378152 SPIPFOOSMNGQIH-LLVKDONJSA-N 315.337 -0.233 30 20 DBED CN1CC[C@H](CC(=O)NC[C@@H](CO)N=c2cc[nH]c(C#N)n2)C1 1121805873 FSUWNAROBPHQMN-NEPJUHHUSA-N 318.381 -0.999 30 20 DBED CC(C)[C@@H](C(=O)NC[C@H](CO)Nc1ccc(C#N)nn1)N(C)C 1121840317 RIPCWVLDSPGGHD-OCCSQVGLSA-N 320.397 -0.177 30 20 DBED N#Cc1c[nH]ccc1=N[C@H](CO)CNC(=O)Cc1cncs1 1122152984 MRDXTKVBMSTRMX-NSHDSACASA-N 317.374 -0.037 30 20 DBED COCC(C)(C)C(=O)NC[C@@H](CO)Nc1cnc(C#N)cn1 1122230391 ZHOMWCIVGBBIOY-NSHDSACASA-N 307.354 -0.090 30 20 DBED C[C@H]1C[C@H](N=c2cc[nH]c(C#N)n2)CN1C(=O)CCCC(N)=O 1123243709 PULBXIMJZJXFBO-QWRGUYRKSA-N 316.365 -0.173 30 20 DBED CNC(=O)NCC(=O)N1C[C@H](Nc2ccc(C#N)nn2)C[C@H]1C 1123322354 YKYWPWXDBLSGNH-MWLCHTKSSA-N 317.353 -0.321 30 20 DBED COCCOCC(=O)N(C)C[C@H](O)CNc1ccc(C#N)nc1 1124192385 VNYKMQJAOWNZOQ-CQSZACIVSA-N 322.365 -0.153 30 20 DBED C=CCOCC(=O)NCCNCCc1nnn(C(C)(C)C)n1 1124767485 HNKNOCJTIHWBIP-UHFFFAOYSA-N 310.402 -0.121 30 20 DBED N#Cc1c[nH]c(C(=O)NCCNCCCN2C(=O)CNC2=O)c1 1125369804 AQOKKOXRVLYUGE-UHFFFAOYSA-N 318.337 -0.852 30 20 DBED C[C@@H](NC(=O)C(N)=O)C1CCN(c2cncc(C#N)n2)CC1 1126675819 KYNUMRHIYYDRHU-SECBINFHSA-N 302.338 -0.445 30 20 DBED C=CCN[C@H]1CCN(c2cccc(CNC(=O)C(N)=O)n2)C1 1127845357 GFEGTLQKKYEULM-LBPRGKRZSA-N 303.366 -0.463 30 20 DBED Cn1ccc(CC(=O)NCc2cnn3c2CN(CC#N)CC3)n1 1128350580 FVTSJJIHSREFSE-UHFFFAOYSA-N 313.365 -0.185 30 20 DBED C#CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)CN(C)C(C)=O)C1 1128731882 ULMIZORAJDRJAD-KGLIPLIRSA-N 318.381 -0.879 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)C[C@H](C)NC(N)=O)C1 1129003344 AIXISFYHSGOCNK-TUAOUCFPSA-N 321.385 -0.748 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)COCCCOC)C1 1129380502 CQKUWEDTABWMBQ-KGLIPLIRSA-N 323.397 -0.141 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1ccn(CCOC)n1 1131153386 GFNUBMJWDYDGNA-UHFFFAOYSA-N 309.370 -0.849 30 20 DBED CC#CCN1CCNC(=O)CCN(C(=O)CSCC#N)CC1 1131333963 HEAXIFPZTHTWCM-UHFFFAOYSA-N 322.434 -0.083 30 20 DBED C#CCNC[C@H]1CN(C(=O)CN(C)C(=O)COC)CC[C@H]1C 1132874795 MYWOBJIRQQABGO-KGLIPLIRSA-N 309.410 -0.201 30 20 DBED C=CCC1(C(=O)NCCNCC(=O)N2CCNC(=O)C2)CCC1 1133392075 GFEOSESDAXKOOY-UHFFFAOYSA-N 322.409 -0.603 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)C12CCN(CC1)C2)NCC(=O)NCC#N 1135939208 WFTBWVMDPXNVBY-QWHCGFSZSA-N 321.425 -0.405 30 20 DBED C#CCNC(=O)CNCCNC(=O)C[C@@H](OC)C(F)(F)F 1146924780 JLXHSLFLSIBMII-SECBINFHSA-N 309.288 -0.591 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)c1cnn(C)c1 1151874840 CXHCAGIEOOQMSU-GFCCVEGCSA-N 305.382 -0.390 30 20 DBED C#CCN1CCC(C(=O)NCCN[C@@H](C)c2nnnn2C)CC1 1152324462 WBJRJTBFNOAFSK-LBPRGKRZSA-N 319.413 -0.678 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)[C@H]1CCC(=O)NC1 1154120012 UQCHFXIOPUBLCM-OLZOCXBDSA-N 322.409 -0.911 30 20 DBED C[C@H](C#N)C(=O)NCCCN[C@@H]1CCN(c2ccn(C)n2)C1=O 1155847562 ABEWDTPOGHXOII-VXGBXAGGSA-N 318.381 -0.219 30 20 DBED C#CCNC(=O)CC(=O)NCCCNCc1ccc(OC)nc1 1156852384 BBKZCVROFWMYPA-UHFFFAOYSA-N 318.377 -0.174 30 20 DBED COCC#CCNCC1(CCNC(=O)[C@H]2CN(C)C(=O)N2)CC1 1166573830 DOHMSDDGQOZLRZ-CYBMUJFWSA-N 322.409 -0.464 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)Cn2cncn2)C1=O 1175472661 XUBLOGBUDCEBTB-GFCCVEGCSA-N 306.370 -0.839 30 20 DBED CC#CCNC[C@@H]1C[C@H]2CC[C@H]1N(C(=O)Cn1cnnn1)C2 1177594331 AMQMTXUWVBFSCS-HZSPNIEDSA-N 302.382 -0.087 30 20 DBED C#CCNC[C@@H]1C[C@H]2CC[C@H]1N(C(=O)c1nnc(O)nc1O)C2 1177830015 OUIFIFWDAVHABJ-OUAUKWLOSA-N 317.349 -0.254 30 20 DBED CC#CCNCCCCCCNC(=O)CN1CC(=O)NC1=O 1179838741 NTHRLTKCCGKQFE-UHFFFAOYSA-N 308.382 -0.172 30 20 DBED C=CCOCCN[C@H]1CCN(C(=O)CN2C(=O)CCC2=O)[C@H]1C 1180089293 WNBCOINJQZYOJI-STQMWFEESA-N 323.393 -0.083 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)CCc2ccn(C)n2)C1 1182919054 XPPTYTNXINIZFA-CQSZACIVSA-N 317.393 -0.707 30 20 DBED C#CCNC[C@@H]1CCN(C(=O)c2cnc(O)n(C)c2=O)C[C@@H]1C 1184921991 AFIKHFWDTSEYJO-RYUDHWBXSA-N 318.377 -0.193 30 20 DBED C[C@H]1CN(C(=O)CN2CC(=O)N(C)C2=O)CC[C@@H]1CNCC#N 1185492843 RWFINKMVBAYDDF-NWDGAFQWSA-N 321.381 -0.522 30 20 DBED Cn1nncc1C(=O)N1C[C@H](CNCC#N)C2(CCOCC2)C1 1186367729 CLBLUNDILUZAHE-LBPRGKRZSA-N 318.381 -0.203 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H](C)CCCOC)C1 1186902367 FRGLDYRSGFWWPD-UONOGXRCSA-N 309.410 -0.011 30 20 DBED C#CCCCC(=O)N1CC[C@H]2CN(CC(=O)NCC#N)C[C@H]21 1187728995 HYPJXMBIJSTBCV-UONOGXRCSA-N 302.378 -0.038 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2coc(C)n2)C1 1189806957 FJOMVGRMQFEZAY-GFCCVEGCSA-N 304.350 -0.121 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@H](N(C)CCn2cncn2)C1 1190107106 ZYCWAYDDUXFMHF-KGLIPLIRSA-N 305.382 -0.151 30 20 DBED C=CCOCCN(C)[C@H]1CCN(C(=O)C2CS(=O)(=O)C2)C1 1190337146 PETFACPMUDWUHO-ZDUSSCGKSA-N 316.423 -0.234 30 20 DBED C=CCNC(=O)[C@H](C)N(C)[C@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 1192072746 KDTBOTAZVYYUSY-RYUDHWBXSA-N 322.409 -0.525 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)CC2(CS(C)(=O)=O)CC2)C1 1192952918 CAKWUVZEOYLFKP-VXGBXAGGSA-N 316.423 -0.451 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2ccn(C)n2)C1 1194011699 WEMJOBDIJWRFJL-LBPRGKRZSA-N 303.366 -0.684 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)c2ccn(C)c(=O)c2)C1 1194176538 CYRNSFJHBJPHGG-ZIAGYGMSSA-N 321.377 -0.637 30 20 DBED CCS(=O)(=O)CC(=O)N1CC[C@@H](N(C)CC#CCOC)C1 1194256402 QARONJAJQUMAJS-CYBMUJFWSA-N 316.423 -0.396 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCCN(C(=O)c2cnsn2)CC1 1194970523 CXLSOTCHGDTMAG-LLVKDONJSA-N 321.406 -0.176 30 20 DBED C=CCNC(=O)[C@H](C)N1CCCN(C(=O)c2cnnn2C)CC1 1195691008 BYMKOBOVTTWKLT-LBPRGKRZSA-N 320.397 -0.346 30 20 DBED CN(CCc1ccccc1)CC(=O)N[C@@H]1CN(CC#N)C[C@H]1O 1196222514 QIBHLFZVXKMTPT-HZPDHXFCSA-N 316.405 -0.154 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)COc2cccnc2)C1 1196961232 MGCNSGRNBLTQPK-HUUCEWRRSA-N 321.377 -0.176 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)[C@@H]2CN(C)CCO2)CC1 1199943490 LICHMSLURATUJV-AWEZNQCLSA-N 324.425 -0.800 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)c2cncn2C)CC1 1201467937 AAFMILAMLUDFEF-UHFFFAOYSA-N 303.366 -0.636 30 20 DBED C#CCCCC(=O)N1CCC[C@@H](NCCN2C(=O)CNC2=O)C1 1207934401 DBRZKJKOMCJWIY-CYBMUJFWSA-N 320.393 -0.078 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCC[C@H](NCc2nnn(C)n2)C1 1207950737 NJOGYPVUMYSWKQ-SMDDNHRTSA-N 308.386 -0.382 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@H]2CCCCN2C)C1 1208423479 LJBAGFBQVJMLQU-HUUCEWRRSA-N 320.437 -0.199 30 20 DBED CCN(C)C(C)(C)C(=O)N1CCC[C@H](NCC(=O)NCC#N)C1 1208453236 BZBZTXKPYDKWIU-ZDUSSCGKSA-N 323.441 -0.063 30 20 DBED CC#CCN[C@H]1CCCN(C(=O)[C@@H](CCC(N)=O)NC(C)=O)C1 1210154379 KHZDCBBZJFRHJN-UONOGXRCSA-N 322.409 -0.640 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCN(C(=O)c2ncccn2)C1 1210243515 GOVSGSFBBHZUBE-LLVKDONJSA-N 302.338 -0.689 30 20 DBED C=C[C@@](C)(O)CC(=O)N1C[C@@H](NCC(=O)N2CCC2)[C@H](C)C1 1214520924 SIVRIEOGTRUIMH-XJKCOSOUSA-N 309.410 -0.018 30 20 DBED C=CCCN[C@@H]1CN(C(=O)Cn2ccc(O)nc2=O)C[C@H]1C 1215081878 LMQSAPMFDCEXSD-VXGBXAGGSA-N 306.366 -0.039 30 20 DBED C[C@@H](O)CCCN1C[C@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 1219418089 OCXVVDPUEXZBPY-HONMWMINSA-N 306.366 -0.178 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CN(Cc2ccccc2C#N)C[C@@H]1O 1219509712 ABMUUQCUZZINOU-KGLIPLIRSA-N 316.361 -0.644 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)c2cnc(O)n2C)C1 1220132803 UKFQXTUUAOXMIY-PWSUYJOCSA-N 310.354 -0.897 30 20 DBED CC(C)C[C@H](C)CC(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@@H]1O 1220740440 IWNCNZFHPSVPPD-MJBXVCDLSA-N 324.425 -0.140 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)Cn2ccnc2)CC1 1230438408 ODZSOHJNMXHKRU-UHFFFAOYSA-N 303.366 -0.787 30 20 DBED CN(C[C@H]1CCN1CC(=O)NCC#N)C(=O)C(=O)C(C)(C)C 1231254949 IFGOLFLNQVGLJP-LLVKDONJSA-N 308.382 -0.226 30 20 DBED CN(CCCNC(=O)CSCC#N)CCNS(C)(=O)=O 1234162704 REVUSHURRCWYPL-UHFFFAOYSA-N 322.456 -0.770 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C[C@@H]1CCN1CCN1CCNC1=O 1234265670 KOOGVNXEANWCTP-KBPBESRZSA-N 322.409 -0.417 30 20 DBED CC(C)NC(=O)CN(C)C(=O)C(=O)Nc1cnn(CC#N)c1 1253363846 SVPFKUBLMFPPBW-UHFFFAOYSA-N 306.326 -0.672 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2ccc(=O)n(C)c2)C1 1266327320 CQDSGMCIZSCXFW-AWEZNQCLSA-N 303.362 -0.161 30 20 DBED O=C1C=CC=N/C1=C(/O)NCCNc1nccn2nnnc12 1319001292 OHKFRQBVXJDZDD-FMIVXFBMSA-N 300.282 -0.542 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)NCc2nccn2C(F)F)CCO1 1322551639 PQSKUFMXAKBHQN-MRVPVSSYSA-N 313.264 -0.355 30 20 DBED COCC(=O)NC1CCN(CC(=O)NC2(C#N)CCC2)CC1 1322681594 CUJDLRYLQVGCMN-UHFFFAOYSA-N 308.382 -0.224 30 20 DBED C=CCn1cc(CNC(=O)c2cn(C3CCNCC3)nn2)nn1 1326029855 CKXMWXHGMUPZQN-UHFFFAOYSA-N 316.369 -0.090 30 20 DBED C[C@H](O)[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)C1 1326215370 LRPQYRFCGJSLBP-ZOWXZIJZSA-N 309.366 -0.517 30 20 DBED C=CCN(C(=O)C(=O)N1CCO[C@H](COC)C1)[C@H](C)COC 1328279863 AHVJLTYPRCNAJF-OLZOCXBDSA-N 314.382 -0.090 30 20 DBED O=C(CCN/C(O)=C1/N=CC=CC1=O)NCC(=O)OCC1CC1 1328351897 UAZJKWMGSYWYBK-PFONDFGASA-N 321.333 -0.028 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N2CC(OCC(F)F)C2)CCO1 1329538522 UGAXJUSGAANKBY-MRVPVSSYSA-N 303.265 -0.770 30 20 DBED CC[C@]1(CO)CCCN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)C1 1332371985 JUUPTJURLWUXKD-HOTGVXAUSA-N 323.393 -0.125 30 20 DBED O=C(C[C@@H]1CCCS(=O)(=O)C1)N[C@H]1CCCN(O)C1=O 1332910202 ZFEUTYWPPFWAAV-UWVGGRQHSA-N 304.368 -0.302 30 20 DBED Cn1cnc(CNC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1 1333894348 IDDKXZXNYYJFAP-CYBMUJFWSA-N 316.365 -0.765 30 20 DBED C=CCSCCn1nnnc1N1C[C@H]2C(=O)NC(=O)[C@H]2C1 1333940429 MAZQSAIFNGWVPA-DTORHVGOSA-N 308.367 -0.699 30 20 DBED CC1(C)CN(C(=O)C(=O)N2CCC[C@@H](C#N)C2)C[C@@H](CO)O1 1335045378 IQQIOCBDYXKBPR-RYUDHWBXSA-N 309.366 -0.253 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N1CC[C@@H](C2OCCO2)C1 1345558409 REUKCAIHTXUBHB-GFCCVEGCSA-N 312.366 -0.131 30 20 DBED C=C(C)COCCNC(=O)C(=O)N[C@H]1CCCN(CC)C1=O 1351446034 BRIUMAGNHVVDIU-LBPRGKRZSA-N 311.382 -0.178 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)N2C[C@H]3COC[C@H]3C2)CCN1C1CC1 1352137350 VYGADJGBCSOXQG-SCRDCRAPSA-N 318.377 -0.710 30 20 DBED CCO[C@@H]1CCCN(C(=O)Cn2cc(C#N)c(O)nc2=O)C1 1362077924 QFPQMZHBNBVTPZ-LLVKDONJSA-N 306.322 -0.152 30 20 DBED N#Cc1sccc1C(=O)N1CCN(S(N)(=O)=O)CC1 1363774488 JKLVJMBAZXGJRI-UHFFFAOYSA-N 300.365 -0.419 30 20 DBED CN1CCN(Cc2cc(O)n3ncc(C#N)c3n2)[C@@H](CO)C1 1364450280 NNIPNSBFUZVJEB-GFCCVEGCSA-N 302.338 -0.585 30 20 DBED CCOC(=O)CN(CC(N)=O)S(=O)(=O)CC(C)(C)C#N 1365635868 DGBVYBMIPROWEB-UHFFFAOYSA-N 305.356 -0.784 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CCN(C(=O)c2cc(C(N)=O)c[nH]2)C1 1372525073 YHLPODDNSVWZDK-SCZZXKLOSA-N 303.322 -0.396 30 20 DBED C[C@H](C#N)C(=O)N(C)C[C@@H]1CCCN1C(=O)CS(C)(=O)=O 1382615317 MCTYZEACBAGBJV-MNOVXSKESA-N 315.395 -0.360 30 20 DBED C[C@H](CNC(=O)c1ccc(C#N)[nH]1)NC(=O)c1ncn(C)n1 1386718824 FYDRELXZAKNGKX-MRVPVSSYSA-N 301.310 -0.437 30 20 DBED CNC(=O)NCCC(=O)N(CCNC(=O)[C@H](C)C#N)C1CC1 1388678721 NQWCCLONQKBIAL-SNVBAGLBSA-N 309.370 -0.428 30 20 DBED CCN(C(=O)[C@H](C)C#N)[C@H](C)CNC(=O)CS(=O)(=O)CC 1406093129 OSWKOBUFZGYBFM-GHMZBOCLSA-N 317.411 -0.066 30 20 DBED N#Cc1nc(=NC[C@@H]2CCN(C(=O)Cn3cncn3)C2)cc[nH]1 1414986288 NLAPLHUWNIQAIA-NSHDSACASA-N 312.337 -0.678 30 20 DBED CCn1cc(C(=O)NCCN(C)C(=O)c2cc(C#N)c[nH]2)nn1 1415599946 UHGVPNGSIAEWFF-UHFFFAOYSA-N 315.337 0.000 30 20 DBED CC[C@@H](CNC(=O)COCc1nncn1C)NC(=O)[C@@H](C)C#N 1416294251 MSWVAXSLZOZBGP-QWRGUYRKSA-N 322.369 -0.498 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H](C)CNC(=O)Cn1ccc(O)nc1=O 1426695850 HKVBQCQCKHGZLB-NXEZZACHSA-N 321.337 -0.928 30 20 DBED CCCN1C[C@@H](C(=O)N(C)CCNC(=O)[C@@H](C)C#N)CC1=O 1449187735 KKKCBMSGJVSOQM-RYUDHWBXSA-N 308.382 -0.021 30 20 DBED N#CC1(CNC(=O)[C@@H]2CCc3nnc(O)n3C2)CCOCC1 1457109991 MBHNFFIWUIVJLK-SNVBAGLBSA-N 305.338 -0.017 30 20 DBED CNC(=O)NC(=O)[C@H](C)N[C@@H](C)CNC(=O)c1cc(C#N)c[nH]1 1480442232 ICLKPZVVQJQNMY-IUCAKERBSA-N 320.353 -0.562 30 20 DBED C#CCNCCNC(=O)[C@H]1CCCN(C(=O)C[C@H]2CCOC2)C1 1480607503 HQXHCBXEUXCGNC-CABCVRRESA-N 321.421 -0.009 30 20 DBED C[C@H](C#N)C(=O)N1CCCCC[C@@H]1CNC(=O)Cn1cnnn1 1487124323 STXJYMUBVJKNBL-VXGBXAGGSA-N 319.369 -0.280 30 20 DBED C#CCC1(C(=O)N[C@H](CO)CNC(=O)CNC(=O)O)CCC1 1573303516 PDPGYLUPXAUNHH-JTQLQIEISA-N 311.338 -0.959 30 20 DBED C#Cc1cncc(C(=O)NCC2(NC(=O)CNC(=O)O)CC2)c1 1573313891 SXDAFAMNZHOVEF-UHFFFAOYSA-N 316.317 -0.291 30 20 DBED C[C@@H](CN=c1cc[nH]c(-c2nn[nH]n2)n1)NC(=O)[C@H](C)C#N 1573584711 CGQMRQRVQZEBDT-SFYZADRCSA-N 301.314 -0.845 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](C)CCN=c1cc[nH]c(-c2nn[nH]n2)n1 1574671933 CSSKOFDKIYYTAH-DTWKUNHWSA-N 315.341 -0.455 30 20 DBED C#CCNC(=O)C1CCN(C(=O)[C@]2(C)C[C@H](N)CCO2)CC1 1574706868 IXRNXXLVNBNGTM-CJNGLKHVSA-N 307.394 -0.129 30 20 DBED C=CC1(CC(=O)N2CCO[C@]3(CCS(=O)(=O)C3)C2)CNC1 1574879992 IRXMQSTUFXKGKJ-CQSZACIVSA-N 314.407 -0.432 30 20 DBED C#CCN(CC(=O)O)C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O 1588410558 WZCOJUIYBKBCCS-QMMMGPOBSA-N 321.255 -0.121 30 20 DBED C#CCN(CC(=O)O)S(=O)(=O)c1scnc1C(=O)O 1588465774 HBZXIDWNOQURRP-UHFFFAOYSA-N 304.305 -0.450 30 20 DBED C[C@](C#N)(CC(=O)O)C(=O)NCCOCCS(C)(=O)=O 1588558244 QACAYTCBBQNQOM-LLVKDONJSA-N 306.340 -0.832 30 20 DBED C=CCOC[C@@H](NC(=O)CCN1CCCS1(=O)=O)C(=O)O 1588853675 FFQNWTURXINHOZ-SNVBAGLBSA-N 320.367 -0.816 30 20 DBED C=CCOC[C@H](NS(=O)(=O)C[C@@H](C)C(=O)O)C(=O)OC 1588867190 VWJQBVNXGKJZMP-BDAKNGLRSA-N 309.340 -0.629 30 20 DBED CCN(C[C@H](C)C#N)c1[nH]c(=O)n(C)c(=O)c1-c1nn[nH]n1 1590680716 IMMMUFMPLOSONE-SSDOTTSWSA-N 304.314 -0.760 30 20 DBED CC1(C(=O)O)CN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)C1 1593802869 MYPOEJIRNQYRDF-VAWYXSNFSA-N 307.306 -0.164 30 20 DBED Cc1cc(C#N)cnc1C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)O 1600076229 PAKTVFYZVAIRQE-JTQLQIEISA-N 323.330 -0.415 30 20 DBED N#C[C@H]1CN(S(=O)(=O)N[C@@H]2CCC[C@H]2CC(=O)O)CCO1 1601062615 INVCRJUFJLRABH-GARJFASQSA-N 317.367 -0.311 30 20 DBED CO[C@]1(C(=O)O)CCN(C(=O)NC2CCN(CC#N)CC2)C1 1606697120 KOJLBYVLQHASDQ-CQSZACIVSA-N 310.354 -0.141 30 20 DBED CC(C)NC(=O)NCCn1c(N)nc(-c2nn[nH]n2)c1C#N 1609099918 HSXGQMMJSPSTTO-UHFFFAOYSA-N 304.318 -0.775 30 20 DBED COc1c(C#N)ccc(=O)n1Cc1cc(=O)n(C)c(=O)n1C 1647284030 ULGOWCAOLBYNMV-UHFFFAOYSA-N 302.290 -0.826 30 20 DBED CN(CCN(C)C(=O)[C@@H]1CCCCN1C)CC(=O)NCC#N 1667611919 XRGSKURPYCETPM-ZDUSSCGKSA-N 309.414 -0.499 30 20 DBED C=CCOCC(=O)NCCCN1CCN([C@H]2CCNC2=O)CC1 1752339027 FSDRHFQENROKRF-AWEZNQCLSA-N 324.425 -0.799 30 20 DBED CC#CCN[C@@H](CNC(=O)CN(C)S(C)(=O)=O)C1CC1 1752459602 LYTSHRDQZRYFLJ-LBPRGKRZSA-N 301.412 -0.615 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H](C)CNC(=O)CCn1cc(C)cn1 1752921717 XUDNQVJGKAAFJY-KBPBESRZSA-N 319.409 -0.186 30 20 DBED C[C@H](CCNC(=O)C1(N(C)C)CCC1)NCC(=O)NCC#N 1753007443 PBJPDUMEZPTTPW-GFCCVEGCSA-N 309.414 -0.405 30 20 DBED C=CCNC(=O)CN(C)C[C@H]1CCN(C(=O)c2cnn(C)n2)C1 1753358088 BZSGTIGQKDGBQM-GFCCVEGCSA-N 320.397 -0.489 30 20 DBED CC(C)C#CC(=O)NC1CN(CC(=O)NC[C@H]2CCCO2)C1 1753376518 SQQWSGKQQFVIQV-CQSZACIVSA-N 307.394 -0.259 30 20 DBED C#CCO[C@H](C)C(=O)NC1CN(CC(=O)N(CC)C2CC2)C1 1753378168 VCUGVFVLRBUXCA-GFCCVEGCSA-N 307.394 -0.164 30 20 DBED C=CCN1CC[C@@H](N[C@@H](CC)CNC(=O)c2[nH]nnc2C)C1=O 1753480858 DWGCXXMKWQOSDC-NWDGAFQWSA-N 320.397 -0.002 30 20 DBED CC(C)C#CC(=O)N[C@H](C)CCNCC(=O)N1CCOCC1 1753963586 OIAKYBRQOCYANX-CQSZACIVSA-N 309.410 -0.011 30 20 DBED C#CCNC(=O)CN1C[C@H]2C[C@H]1[C@@H]2NC(=O)Cc1cncs1 1754424924 IHHRIPIQBJGDPW-IFUGULHKSA-N 318.402 -0.376 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@@H]1CNC(=O)c1ccnn1CC 1754480489 IEPQGHUDIDWZSH-CHWSQXEVSA-N 317.393 -0.155 30 20 DBED C#CCNC(=O)CNC[C@H]1CN(C(=O)C2=CCOCC2)C[C@H]1C 1754810135 DHTBVDHAPFFMCU-HIFRSBDPSA-N 319.405 -0.233 30 20 DBED C#CCNC[C@H]1CN(C(=O)CCn2ncn(C)c2=O)C[C@H]1C 1754816286 CMHIRGJFSAGXKO-OLZOCXBDSA-N 305.382 -0.711 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)CNC(=O)c1ccoc1C 1754967714 NOUDULYVYYWFSW-ZDUSSCGKSA-N 319.361 -0.232 30 20 DBED C#CCNC(=O)CNC[C@H]1CN(C(=O)c2cscn2)CCO1 1754996422 NLAIXWYPGWIROT-NSHDSACASA-N 322.390 -0.677 30 20 DBED CCS(=O)(=O)CC(=O)NC1CC(CNCC#CCOC)C1 1755221888 OACHSWJZISICEQ-UHFFFAOYSA-N 316.423 -0.445 30 20 DBED C#CCCN1CC([C@@H](C)NC(=O)[C@@H](C)N2C(=O)CCC2=O)C1 1755379815 SNLQKWOGUHQHGK-VXGBXAGGSA-N 305.378 -0.016 30 20 DBED C=CCOCCN[C@@H](C)[C@H]1CN(C(=O)c2cn(C)nn2)CCO1 1755441402 FRCSEXCITUVFCN-GXTWGEPZSA-N 323.397 -0.163 30 20 DBED C[C@@H]1[C@H](NCC(=O)NCC#N)CCN1C(=O)c1cn(C)cn1 1755649703 BQPBVFCRFHXEDN-GHMZBOCLSA-N 304.354 -0.748 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)c2cnc(O)n2C)[C@H]1C 1755659424 RYWXTDLFJFIDBN-WDEREUQCSA-N 321.381 -0.380 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C[C@H](O)CNCc1cc(C)n(C)n1 1755779635 NLNHFWNATLTRJR-UKRRQHHQSA-N 322.409 -0.324 30 20 DBED C=CCNC[C@H](NC(=O)CNS(=O)(=O)NC)C(C)(C)C 1755828837 RGCCJRXUBJHMAU-JTQLQIEISA-N 306.432 -0.653 30 20 DBED C#Cc1cncc(C(=O)N[C@@H](CO)CNC(=O)c2ccccn2)c1 1756501243 OMQWFSZMISCKLM-CQSZACIVSA-N 324.340 -0.021 30 20 DBED CN(C[C@H](O)CNC(=O)C#CC1CC1)C(=O)c1cncnc1O 1756668744 KQVPBXRLTOUTDR-LLVKDONJSA-N 318.333 -0.855 30 20 DBED CO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)[C@@H](C)NC(C)=O 1757114875 GXAZLDDAIYLWIZ-LERXQTSPSA-N 321.377 -0.734 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(C(=O)c2cnco2)C[C@@H]1O 1757174163 UZJOTVDMVCOVLT-AXFHLTTASA-N 307.306 -0.986 30 20 DBED CN(C)C(=O)C(=O)N1CC2(CCCN2C(=O)C#CC2CC2)C1 1841540713 NIBCDSGBTQCERC-UHFFFAOYSA-N 303.362 -0.309 30 20 DBED C[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccc(F)cc1C#N 125281281 IVWBEUPFOWBXOG-MRVPVSSYSA-N 304.281 -0.017 30 20 DBED Cn1c(CO/N=C(\N)Cc2cccnc2)cc(=O)n(C)c1=O 179922565 ZZNXLJMCEAEETR-UHFFFAOYSA-N 303.322 -0.490 30 20 DBED N#CCN1CCN(C(=O)CNC(=O)OCC(F)(F)F)CC1 265776812 PVVLQKMWBICANK-UHFFFAOYSA-N 308.260 -0.057 30 20 DBED COCCNC(=O)CN1CCN(c2ccc(C#N)nc2)CC1 267373237 KECMLLWSALNCQU-UHFFFAOYSA-N 303.366 -0.162 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(Cc2cncn2C)c1=O 267737537 FGAFYSSCCIDSCR-UHFFFAOYSA-N 303.322 -0.675 30 20 DBED C=CCCOCCNC(=O)C1CCN(S(N)(=O)=O)CC1 270267966 RMNAHTABMFTHBD-UHFFFAOYSA-N 305.400 -0.389 30 20 DBED C=CCNC(=O)CNC(=O)CNC(=O)Cc1ccc(O)cc1 274292456 QEUWJOZPQQJZQS-UHFFFAOYSA-N 305.334 -0.531 30 20 DBED CCOC(=O)CO/N=C(/C(=O)NC1=NO[C@H](C)C1)c1cc[nH]n1 278424418 CPSCBIUDNVSJEW-ICLKLUNKSA-N 323.309 -0.068 30 20 DBED CS(=O)(=O)N1CCC[C@@H]1C/N=C(/O)N1CCN=C(O)C1 328762431 YSOMDDNFGMOMPL-SECBINFHSA-N 304.372 -0.404 30 20 DBED C/C(O)=N/[C@@H]1CCCN(C(=O)Cn2nc3cnccn3c2=O)C1 328809729 AJVXBRKSLXNUCA-LLVKDONJSA-N 318.337 -0.142 30 20 DBED CN1C[C@H](/C(O)=N/C/C(O)=N/CCN2CCOCC2)CC1=O 329398603 YDLYRBOKUBVXPF-LLVKDONJSA-N 312.370 -0.290 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N1[C@H]2CC[C@H]1CC(=O)NC2 337059329 FRAHEIJDUKKHKI-VWYCJHECSA-N 300.384 -0.324 30 20 DBED CN(CC#N)S(=O)(=O)CCCS(=O)(=O)NC1CCC1 349597105 BJHFXWOJYJQUAX-UHFFFAOYSA-N 309.413 -0.366 30 20 DBED Cc1cc2c(cc1S(=O)(=O)NCC(=O)NCC#N)OCO2 352527995 HXFWJSODJLMUPE-UHFFFAOYSA-N 311.319 -0.358 30 20 DBED N#Cc1ccc(CS(=O)(=O)CC(=O)N[C@H]2CNC(=O)C2)cc1 353939105 MTMJJEFMYGIZEF-GFCCVEGCSA-N 321.358 -0.522 30 20 DBED CCCCNC(=O)[C@H]1CCCN(C(=O)NCC(=O)NCC#N)C1 358314959 PKNDORQHTJSFED-LBPRGKRZSA-N 323.397 -0.036 30 20 DBED N#CCN(C(=O)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1)C1CC1 367575210 KFLLEULPCOGXFG-OLZOCXBDSA-N 307.350 -0.093 30 20 DBED C=CCNC(=O)NC(=O)CN1CCC(N2CCCNC2=O)CC1 370878708 DXQYPBWLWLMBKS-UHFFFAOYSA-N 323.397 -0.122 30 20 DBED C=CCn1cc(CNC(=O)C(=O)NC[C@@]2(C)CCCNC2)nn1 424535982 AULGTTNCVMWZTI-HNNXBMFYSA-N 320.397 -0.414 30 20 DBED CN(C[C@@H](O)CN1CCOCC1)S(=O)(=O)CCCCC#N 443379787 YYSQGZLZARMVGN-CYBMUJFWSA-N 319.427 -0.365 30 20 DBED C=C(C)CN(C)C(=O)C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 459857075 LTWUYDJQRVSUBO-CYBMUJFWSA-N 323.393 -0.129 30 20 DBED C#CCN1CCN(C(=O)CN2CC(=O)N[C@H]3CCCC[C@H]32)CC1 490829651 CZZBHOGECKSKFU-LSDHHAIUSA-N 318.421 -0.493 30 20 DBED C=C(C)CS(=O)(=O)N1CC[C@@H](N2C[C@H](C(=O)O)CC2=O)C1 567903110 JALYULHOVFHMKA-GHMZBOCLSA-N 316.379 -0.100 30 20 DBED N#Cc1cc(N2CCN(C(=O)CN3CCOCC3)CC2)ncn1 570209874 VYKVBHXXCQDTPG-UHFFFAOYSA-N 316.365 -0.671 30 20 DBED N#Cc1ccc(S(=O)(=O)NCC(=O)NC[C@H]2CCCN2)cc1 570211927 KMAYDMFLQYKIFQ-GFCCVEGCSA-N 322.390 -0.295 30 20 DBED C=CCN(CC(=O)O)S(=O)(=O)N(CCC#N)CCOC 584175630 GUUSXPDYODKEFX-UHFFFAOYSA-N 305.356 -0.334 30 20 DBED CNC[C@H](C)NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 595982877 IOOACCGIYMEKPO-JTQLQIEISA-N 310.379 -0.439 30 20 DBED CN(CCCc1[nH]nc(N)c1C#N)c1ncnc2c1nnn2C 596062391 NKZLDSICLLOZHF-UHFFFAOYSA-N 312.341 0.004 30 20 DBED CS(=O)(=O)N1CCN(CCNc2cccc(C#N)n2)CC1 611116140 XLZPUFDWIKMUFJ-UHFFFAOYSA-N 309.395 -0.058 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)NCC(C)(C)S(C)(=O)=O 619711511 ZOABPIGMBKMLHJ-VIFPVBQESA-N 311.429 -0.265 30 20 DBED CC#CC[C@@H](CO)NC(=O)C(=O)Nc1cncc(N(C)C)c1 635203678 MIOHWEMWDJXNNW-NSHDSACASA-N 304.350 -0.023 30 20 DBED CC#CCNCc1cn(C[C@@H](O)COC[C@@H]2CCCO2)nn1 641193679 RSMPDCGQSDEKPV-CABCVRRESA-N 308.382 -0.053 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@H](C)NC(=O)CC)CC1 642349098 IFVHLXZXOLUOKX-LBPRGKRZSA-N 310.398 -0.653 30 20 DBED C=C[C@@H]1OCC[C@H]1NC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1OC 661272285 TYMGEGNHPWXKHF-CHWFTXMASA-N 304.368 -0.559 30 20 DBED Cn1c(N)c(C(=O)CN2CCC[C@@](C)(C#N)C2)c(=O)n(C)c1=O 680106337 XIHDAFFQIBWAFD-HNNXBMFYSA-N 319.365 -0.525 30 20 DBED NC(=O)CNC(=S)NN=Cc1c[nH]nc1-c1cccnc1 731929325 FJTAQQHDXZZUPO-UHFFFAOYSA-N 303.351 -0.245 30 20 DBED C#CCOCCNC(=O)N1CCN(CC(=O)NC2CC2)CC1 753382900 PSEJNNBFDRXJTH-UHFFFAOYSA-N 308.382 -0.758 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)[C@@H]1CCCCN1C(C)=O 756237915 WRJQWNDODBAKPQ-NSHDSACASA-N 311.338 -0.058 30 20 DBED C#C[C@H](NCC(=O)N1CCC[C@@H](NC(C)=O)C1)[C@@H]1CCCO1 775785964 UCMCGMHKBHSDNP-ILXRZTDVSA-N 307.394 -0.116 30 20 DBED C#CCNC(=O)COC(=O)c1nnn(Cc2ccncc2)c1C 803968882 QIZZMHNVBPSXSO-UHFFFAOYSA-N 313.317 -0.064 30 20 DBED C=C(C)CN(CC)C(=O)COC(=O)CN1C(=O)CN(C)C1=O 805050198 GJSDFXOCHLBWBP-UHFFFAOYSA-N 311.338 -0.152 30 20 DBED N#CCSCCCOC(=O)CN1CCS(=O)(=O)CC1 805399613 JPXFCXSKSOSGMI-UHFFFAOYSA-N 306.409 -0.093 30 20 DBED C=C[C@H](O)C(=O)OCC(=O)CN1C(=O)c2ccccc2C1=O 814544482 HKOZUSXGKXTMRJ-LBPRGKRZSA-N 303.270 -0.058 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCC[C@H](CO)[C@@H]1C)[C@@H]1CCCO1 817837866 FLDSDMHZSPYVLF-CRWXNKLISA-N 308.378 -0.097 30 20 DBED C#CCOc1ccccc1NC(=O)C(=O)NC(C)(CO)CO 821571238 GKYGTGPLPMQOAR-UHFFFAOYSA-N 306.318 -0.503 30 20 DBED C#CCCCCNC(=O)C(=O)c1cc(S(N)(=O)=O)cn1C 830036021 VFYAQKARYMHPEQ-UHFFFAOYSA-N 311.363 -0.225 30 20 DBED CON=CC(=O)N1CCS(=O)(=O)C[C@H]1C(=O)OC(C)(C)C 839924834 JTHKUPWDOXUJQV-VIFPVBQESA-N 320.367 -0.414 30 20 DBED CCCc1nnc(SCC(=O)N2CC[C@@](O)(CC#N)C2)n1N 844019502 RTOXKQQQNGRSLL-ZDUSSCGKSA-N 324.410 -0.086 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N1C[C@@H](C)C[C@@H](CO)C1 850712731 QEOLMOOBEZPCFZ-UONOGXRCSA-N 310.394 -0.038 30 20 DBED C#CC[C@@H](CO)NC(=O)C[C@H](C)CC(=O)N[C@@H](CO)CC#C 854541110 CMTPYCNMGVWKEO-ZSOGYDGISA-N 308.378 -0.597 30 20 DBED C#Cc1ccc(C(=O)N2CCN(CCS(N)(=O)=O)CC2)cc1 896730977 KHGCCBYGMKRLBH-UHFFFAOYSA-N 321.402 -0.286 30 20 DBED COC(=O)CC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 906965535 BVNXGVPBSVZLAF-JTQLQIEISA-N 303.322 -0.052 30 20 DBED CNS(=O)(=O)CCCNC(=O)c1cccc(C#CCO)c1 913180185 SEFGTGYXOONIEC-UHFFFAOYSA-N 310.375 -0.301 30 20 DBED CCS(=O)(=O)N1CCN(C(=O)NCC#CCO)[C@H](C)C1 923768724 UTWXULIUAXYWNS-LLVKDONJSA-N 303.384 -0.953 30 20 DBED C#CC[C@H]1NC(=O)N(CCCN(C)S(=O)(=O)CC)C1=O 927359610 BHDQYGLGPOETHX-SNVBAGLBSA-N 301.368 -0.398 30 20 DBED C#CC1(O)CN(CC(=O)Nc2cccc(S(C)(=O)=O)c2)C1 934440856 GAZBVONQQIZSMT-UHFFFAOYSA-N 308.359 -0.292 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)Cc3nc[nH]n3)C2)cn1 938900460 ARGBLEKGNCPRSL-ZDUSSCGKSA-N 324.344 -0.246 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](N(C)C(=O)C2CS(=O)(=O)C2)C1 939394982 BIOGYCDGOLUENN-KOLCDFICSA-N 313.379 -0.750 30 20 DBED C[C@@H](C#N)C(=O)N1CCCN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)CC1 942152675 FZLQISGCWALBIZ-XQQFMLRXSA-N 320.393 -0.069 30 20 DBED Cc1n[nH]cc1C(=O)NC[C@@H]1CN(C(=O)[C@H](C)C#N)CCO1 944701518 SSRKMZZXEVVTLG-MWLCHTKSSA-N 305.338 -0.165 30 20 DBED N#CCN1CCC2(CC1)CN(C(=O)[C@@H]1CCC(=O)N1)CCO2 949233071 BSXBLBQZGVAJPK-LBPRGKRZSA-N 306.366 -0.518 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCN([C@@H]2CCC(=O)NC2=O)CC1 950593519 FPONOCQVYPRXGY-UPJWGTAASA-N 321.377 -0.473 30 20 DBED C[C@@H](NC(=O)c1cc(C#N)c[nH]1)[C@H]1CCCCN1C(=O)C(N)=O 953649702 SFARWKCVXONSSU-BXKDBHETSA-N 317.349 -0.129 30 20 DBED CC(=O)Nc1c[nH]c(C)c1C(=O)NC[C@@H]1CN(CC#N)C[C@@H]1O 958195381 GTUJVOQQVJVOQY-YPMHNXCESA-N 319.365 -0.172 30 20 DBED CC#CCN1C[C@H](CNC(=O)c2cnn(CCOC)c2)[C@@H](O)C1 958635255 GLNADUJOYFKREX-ZFWWWQNUSA-N 320.393 -0.425 30 20 DBED C=CCN1C[C@@H](O)[C@@H](CNC(=O)c2cccnc2C(N)=O)C1 958719045 ZDPAVNOGFLUCJP-CMPLNLGQSA-N 304.350 -0.611 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(C1)CN(C(=O)[C@@H]1CCCN1C)CCO2 965329712 BWJJVADQMLXSGM-STQMWFEESA-N 320.393 -0.320 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC2(CN(C(=O)Cn3cccn3)C2)C1 965473621 OCXQBAKJBMBCBF-LBPRGKRZSA-N 317.349 -0.517 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](NC(=O)c2nnn(C)n2)C(C)(C)C1 967096966 AFLJRWVWEUAHJK-VHSXEESVSA-N 319.369 -0.273 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)[nH]1 974044715 LAYIXUCHXGDHID-DTHBNOIPSA-N 317.305 -0.071 30 20 DBED Cn1cc(CC(=O)N[C@H]2[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]32)cn1 976242811 CPHMCUUKTDWVPP-HALDLXJZSA-N 312.373 -0.051 30 20 DBED Nc1nccnc1C(=O)N[C@H]1[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]21 976275714 IADQWITZICBKCR-PJXYFTJBSA-N 311.345 -0.341 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)c3cn(C)ccc3=O)[C@H]2C1 976894840 BAVDXECFNIUASA-KZWBYHQPSA-N 314.345 -0.268 30 20 DBED N#CCN1C[C@H]2[C@H](CNC(=O)c3nccnc3C(N)=O)[C@H]2C1 979041164 AAPVOJVRCIIOQW-OWUUHHOZSA-N 300.322 -0.993 30 20 DBED N#Cc1cc(C(=O)N2CC3(CCCN(CC(N)=O)C3)C2)c[nH]1 981721955 AJBUOXZFMGOFIB-UHFFFAOYSA-N 301.350 -0.090 30 20 DBED C[C@@H](C(=O)N1CCC(N(C)CC#N)CC1)N1C(=O)CCC1=O 985460634 BJDWKBJHCSREPV-NSHDSACASA-N 306.366 -0.030 30 20 DBED C=CCN[C@@H]1CCN(C(=O)c2cn(CC(=O)N(C)C)nn2)[C@H]1C 987575014 HNJBCQHUBCZROT-NWDGAFQWSA-N 320.397 -0.255 30 20 DBED C[C@@H]1C[C@@H](NCC#N)CN1C(=O)CN1C(=O)CC(C)(C)C1=O 988846558 WPECVJMHIHHBAX-GHMZBOCLSA-N 306.366 -0.126 30 20 DBED C=CCn1cc(C(=O)N2CC(NC(=O)c3cnn(C)c3)C2)nn1 990200107 SCRGSTNBXXUBFC-UHFFFAOYSA-N 315.337 -0.548 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1CNC(=O)[C@H]1COC(=O)N1 993962090 ZZIMURGSGXDXHY-RAIGVLPGSA-N 319.361 -0.281 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CCCO2)C1 994751005 KVDONABFJULMCN-UONOGXRCSA-N 305.378 -0.410 30 20 DBED C[C@H](C#N)C(=O)N1CC(NC(=O)c2ccc3nc(O)[nH]c3n2)C1 998492843 AYGWXSDFGOFOMO-SSDOTTSWSA-N 314.305 -0.236 30 20 DBED CN(C(=O)c1cn([C@H]2CCOC2)nn1)C1CC(NCC#N)C1 999657874 MDBUXPGXZFVYMT-CXQJBGSLSA-N 304.354 -0.044 30 20 DBED Cc1c(C(=O)N[C@H](C)C2CN(C(=O)[C@H](C)C#N)C2)nnn1C 1005840187 DIGLVSNCSNQDQP-RKDXNWHRSA-N 304.354 -0.140 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@H](CNC(=O)c3cnn(C)c3N)[C@H]2C1 1008964316 FOYFMWPKLQEZNY-IQIPOGNMSA-N 316.365 -0.404 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H]2C(NC(=O)Cn3cnnn3)[C@@H]2C1 1012750104 KSDQATSDEIOCJN-NXEZZACHSA-N 304.354 -0.542 30 20 DBED N#Cc1cc(C(=O)N2C[C@@H]3C(NC(=O)Cn4cccn4)[C@H]3C2)c[nH]1 1012773927 MWANPIGUBNNVTD-STQMWFEESA-N 324.344 -0.030 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2C(NC(=O)c3cc(C(N)=O)c[nH]3)[C@@H]2C1 1013670318 NACIJYDXKGATRD-SZEHBUNVSA-N 315.333 -0.540 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCC2(CN(C(=O)COC)C2)C1 1018693686 CTGCLRCQSIZBIA-AWEZNQCLSA-N 319.405 -0.209 30 20 DBED C[C@H]1[C@@H](NC(=O)[C@H]2CCCC(=O)N2)CCN1C(=O)[C@H](C)C#N 1020538321 DKDKYVFYNXRGNA-NOOOWODRSA-N 306.366 -0.080 30 20 DBED C[C@H]1C[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 1023437049 INXWCTMWJQCHPK-LOHPEHISSA-N 302.334 -0.156 30 20 DBED N#Cc1c[nH]c(C(=O)N2C[C@@H]3C[C@H]2CN3Cc2nc(O)n[nH]2)c1 1032338420 RLWQISRTWONDAD-UWVGGRQHSA-N 313.321 -0.191 30 20 DBED C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3Cc2nnnn2C)nc1 1032738288 UYSBUNLSGFYNMV-STQMWFEESA-N 323.360 -0.315 30 20 DBED C#CCN1CC[C@@H](N(CC)C(=O)c2cn(C)c(=O)nc2O)C1 1034036001 BKQQMOZKTPMFJK-LLVKDONJSA-N 304.350 -0.345 30 20 DBED CC#CCN1CCO[C@@H](CNC(=O)[C@@H]2CCNC(=O)CC2)C1 1035458998 HFQRDTYAUYGIPI-KBPBESRZSA-N 307.394 -0.257 30 20 DBED C#CCCN1CCO[C@@H](CNC(=O)[C@@H]2CCc3nncn3C2)C1 1035610657 ZNQHFDJJLRNHAM-KGLIPLIRSA-N 317.393 -0.319 30 20 DBED CC#CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)c1cnn2c(=O)cc[nH]c12 1037627853 PVNJXILNWQQQCK-OSMZGAPFSA-N 311.345 -0.152 30 20 DBED CC#CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)CN1C(=O)NC(C)(C)C1=O 1037702254 PJFUIUFYBNWKLI-MDZLAQPJSA-N 318.377 -0.471 30 20 DBED N#CCNC1C[C@@H]2CCC[C@H](C1)N2C(=O)Cn1c(O)nnc1O 1039310853 WVWZVCAQRLVRBI-FGWVZKOKSA-N 320.353 -0.285 30 20 DBED CCn1nccc1C(=O)NC[C@]1(O)CCN(C(=O)[C@H](C)C#N)C1 1039549012 BUQQGDDGMOGFPL-IAQYHMDHSA-N 319.365 -0.244 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)/C=C/C2CC2)C1 1042324371 UWDUBDDZIVITNS-SYTKJHMZSA-N 306.362 -0.320 30 20 DBED N#Cc1ccc(C(=O)NCC2(O)CN(C(=O)[C@@H]3CCOC3)C2)[nH]1 1042609450 WVOBECXBNAXEJR-SNVBAGLBSA-N 318.333 -0.774 30 20 DBED CC(C)[C@@H](O)C(=O)N1CC(O)(CNC(=O)c2c[nH]c(C#N)c2)C1 1042668935 BIUJVIZXRXPQKW-GFCCVEGCSA-N 320.349 -0.794 30 20 DBED O=C(C#CC1CC1)NCC1(O)CN(C(=O)c2cncnc2)C1 1042959336 WQESGJFUITZCMC-UHFFFAOYSA-N 300.318 -0.807 30 20 DBED C=CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)c2conc2C)C1 1043576200 OVWJBMSIAPCIRB-LLVKDONJSA-N 323.349 -0.123 30 20 DBED N#Cc1cncc(N2C[C@H](O)[C@H](NC(=O)[C@@H]3CCCOC3)C2)n1 1043869912 VKRBYDBQQZBTDA-RTXFEEFZSA-N 317.349 -0.559 30 20 DBED C#CCN1CCC(C(=O)N2CC[C@H](NCC(N)=O)C[C@H]2C)CC1 1044871799 LXSQDNHDNITSSU-HIFRSBDPSA-N 320.437 -0.214 30 20 DBED C#CCN1CC[C@@H](N2CCN(C(=O)c3nnn(C)c3C)CC2)C1 1046018085 UIQFIAFTJMWVLZ-CQSZACIVSA-N 316.409 -0.411 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)[C@H]1CN(C(=O)c2ccoc2)C[C@@H]1O 1048844947 VNHCFMNMUMHCSP-UBHSHLNASA-N 320.345 -0.038 30 20 DBED CC#CCN1C[C@H]2CN(C(=O)c3cn(C)c(=O)cn3)C[C@H]2C1 1048948486 PLIFPFGXRVNMTN-BETUJISGSA-N 300.362 -0.193 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C2(C(N)=O)CC2)C1 1049382580 POQPLCQCLPZMMY-QWRGUYRKSA-N 309.366 -0.752 30 20 DBED C[C@@H]1[C@@H](NC(=O)c2cnn(C)n2)CCN1c1nccnc1C#N 1050426450 JITYEVVXNVHHMO-ZJUUUORDSA-N 312.337 -0.126 30 20 DBED C[C@@H](NC(=O)C#CC1CC1)[C@@H]1CCN(C(=O)Cn2ncnn2)C1 1050810012 WXDVBTPWFAOSLY-DGCLKSJQSA-N 316.365 -0.560 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)[C@@H]1CCN(C(=O)CC)C1 1051198417 SSCITHIGQJVXCH-ZIAGYGMSSA-N 307.394 -0.305 30 20 DBED CC#CCN1CCN([C@@H]2CCN(C(=O)c3cnnn3C)C2)CC1 1052023264 RGUMPCQMCCRYPZ-CQSZACIVSA-N 316.409 -0.330 30 20 DBED C#CCN1CC2(C1)CN(C(=O)CCc1cnn(C)n1)CCO2 1053432445 XYCNCTCKOBMYGR-UHFFFAOYSA-N 303.366 -0.706 30 20 DBED N#CCN1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CNC(=O)N1 1054051355 ATCJMWWURQUPAX-ZIAGYGMSSA-N 313.361 -0.266 30 20 DBED N#Cc1nccnc1N1CCN(C(=O)C[C@@H]2CCC(=O)N2)CC1 1055849032 KVKWJOXEGKOVMN-NSHDSACASA-N 314.349 -0.334 30 20 DBED N#Cc1nccc(N2CCN(C(=O)[C@H]3CCCC(=O)N3)CC2)n1 1055931437 YCAOCBCGNJRJFS-LLVKDONJSA-N 314.349 -0.334 30 20 DBED C#Cc1cncc(C(=O)NCCN(CCO)C(=O)CCOC)c1 1056736764 GFWFHDJPGJGFFE-UHFFFAOYSA-N 319.361 -0.350 30 20 DBED C#CCNC(=O)CC(=O)NCCN(CCO)C(=O)/C(C)=C/CC 1057122526 SZOZBPDHRODYGW-AWNIVKPZSA-N 323.393 -0.581 30 20 DBED C=CCOCCCC(=O)N(CCO)CCNC(=O)[C@H](C)OC 1057266698 HJQYENHDOCPJOP-ZDUSSCGKSA-N 316.398 -0.059 30 20 DBED Cc1c[nH]nc1C(=O)N(CCO)CCNC(=O)C#CC1CC1 1057529040 LDNUCIKNDWLANW-UHFFFAOYSA-N 304.350 -0.318 30 20 DBED Cc1nc[nH]c1CC(=O)NCCN(CCO)C(=O)C#CC1CC1 1057532757 AKXDYWFHSYIXBW-UHFFFAOYSA-N 318.377 -0.389 30 20 DBED C#CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)c1ncoc1C 1057583485 RCGPEDKINKNRCG-LBPRGKRZSA-N 323.349 -0.428 30 20 DBED CN1CCC[C@H]1C(=O)N1CC[C@H](N=c2cc[nH]c(C#N)n2)C1 1058849816 MTXWIZKRRAKORC-RYUDHWBXSA-N 300.366 -0.123 30 20 DBED CNC(=O)CC(=O)NCC[C@H]1CCN(C(=O)C#CC2CC2)C1 1059621054 ORFVDHGJUMROOA-ZDUSSCGKSA-N 305.378 -0.109 30 20 DBED C#CCOCCC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1CCCO1 1061581057 KAIYFWXAQSIVIA-KBPBESRZSA-N 324.377 -0.451 30 20 DBED C=CCCCC(=O)N1CCOC[C@@H]1CNC(=O)Cn1ncnn1 1061609029 VUGACGLRTRRCDC-LBPRGKRZSA-N 322.369 -0.627 30 20 DBED C=CCO[C@@H](C)C(=O)NC[C@@H]1COCCN1C(=O)COC 1061667505 HIERZZPMRWIKEV-NWDGAFQWSA-N 300.355 -0.433 30 20 DBED Cc1ccn(CC(=O)NC[C@H]2COCCN2C(=O)[C@@H](C)C#N)n1 1061912299 UYJUKAKZQLJYNA-AAEUAGOBSA-N 319.365 -0.305 30 20 DBED C#CCOCCC(=O)N1CCCC[C@@H]1CNC(=O)c1nc[nH]n1 1062213328 SJYDTQSPCGFELX-GFCCVEGCSA-N 319.365 -0.045 30 20 DBED CCNC(=O)CC(=O)N1CCO[C@@H](CNC(=O)[C@H](C)C#N)C1 1065066875 FATUHATXWBLPPO-MNOVXSKESA-N 310.354 -0.984 30 20 DBED CC(C)C#CC(=O)N1CCO[C@H](CNC(=O)[C@H](C)CC(N)=O)C1 1065126459 QBRATGRTWZMDKW-CHWSQXEVSA-N 323.393 -0.499 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CCCN(C(=O)[C@@H]2CNC(=O)N2)CC1 1066152862 LDNJZIYKVVZANI-OLZOCXBDSA-N 318.377 -0.422 30 20 DBED N#Cc1ccc(N2CCOC[C@@H]2CNC(=O)[C@H]2CCCO2)nn1 1066458085 YECJYBJMQMQDJX-QWHCGFSZSA-N 317.349 -0.151 30 20 DBED C=CCOCC(=O)N1CCC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)CC1 1066458946 QQSOMQWGESLBBF-NEPJUHHUSA-N 324.381 -0.632 30 20 DBED C=CCOCC(=O)N1CCOC2(C1)CN(C(=O)c1nc[nH]n1)C2 1068357347 XSVSHWZKDXENII-UHFFFAOYSA-N 321.337 -0.939 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1COC2(C1)CN(C(=O)c1ccncn1)C2 1069002393 FILIUQXDFQPCOS-QWRGUYRKSA-N 315.333 -0.264 30 20 DBED C[C@H]1C[C@@H](Nc2nccnc2C#N)CN1C(=O)Cn1cnnn1 1069006592 UIDKHGYXTUXHFP-VHSXEESVSA-N 313.325 -0.564 30 20 DBED C[C@@H]1C[C@@H](N=c2cc[nH]cc2C#N)CN1C(=O)CS(C)(=O)=O 1069039350 BPZKGGSUTVHAFF-ZYHUDNBSSA-N 322.390 -0.179 30 20 DBED CC(C)C#CC(=O)N1CC[C@]2(CCCN(C(=O)C(N)=O)C2)C1 1069775897 FVPWGFGUIXPSPL-MRXNPFEDSA-N 305.378 -0.028 30 20 DBED C#CCN1CCn2ncc(CNC(=O)[C@H]3C[C@@H]3C(=O)OC)c2C1 1069854471 JXDWFHPNLHDCNX-STQMWFEESA-N 316.361 -0.243 30 20 DBED N#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)C[C@H]2CCCO2)C1 1069898294 GXADQJNRAKWVHP-UPJWGTAASA-N 304.354 -0.288 30 20 DBED C#CCN[C@@H]1CN(C(=O)C2=COCCO2)C[C@H]1c1cncn1C 1070617967 IDDOEJZMCTXSAB-CHWSQXEVSA-N 316.361 -0.175 30 20 DBED C#CCCCC(=O)N1CCC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1 1070671072 VHXJJKINHXEXTA-NEPJUHHUSA-N 306.366 -0.422 30 20 DBED CC(=O)N(C)CC(=O)N[C@@H]1CCCN(C(=O)C#CC2CC2)C1 1070706985 QORRJDVXHCYXKN-CQSZACIVSA-N 305.378 -0.015 30 20 DBED N#CCN1CCNC(=O)CCN(C(=O)CCc2ncc[nH]2)CC1 1070958813 UNYOXEXRDQTMPR-UHFFFAOYSA-N 318.381 -0.484 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)CNC(=O)OC)C[C@H]1C 1071713947 KQGFIXHWLAZUOB-GHMZBOCLSA-N 313.354 -0.492 30 20 DBED C[C@@H]1CN(C(=O)c2cnon2)C[C@@H]1NC(=O)CSCC#N 1072581832 GNQQUIGTGRUALK-SCZZXKLOSA-N 309.351 -0.097 30 20 DBED CC(C)C#CC(=O)NC1(C)CCN(C(=O)CNC(N)=O)CC1 1072862554 JVZKURDIUJJLHX-UHFFFAOYSA-N 308.382 -0.189 30 20 DBED Cn1ccc(CC(=O)N2CC[C@@H]3OCCN(CC#N)[C@H]3C2)n1 1074239284 YHMUXLHMFZGBDC-KBPBESRZSA-N 303.366 -0.212 30 20 DBED CC(=O)NCC(=O)N1C[C@H]2CCN(C(=O)[C@@H](C)C#N)CC[C@H]2C1 1074362090 WNLLIRSOXIYTGF-FPMFFAJLSA-N 320.393 -0.021 30 20 DBED C[C@H](C#N)C(=O)N1CCC(O)(CNC(=O)c2ccncn2)CC1 1074705757 YIBBOGKUHPZMGX-LLVKDONJSA-N 317.349 -0.280 30 20 DBED C[C@@H]1C[C@@H](NC(=O)C#CC2CC2)CCN1C(=O)CNC(N)=O 1074979471 LQKLVSDZPBYXME-PWSUYJOCSA-N 306.366 -0.436 30 20 DBED C[C@@H](CCNC(=O)CSCC#N)NC(=O)[C@H](C)NC(N)=O 1075675530 BJLXJEPODWEHNL-IUCAKERBSA-N 315.399 -0.689 30 20 DBED CC#CCN1C[C@@H]2CCN(C(=O)CN3CCOCC3=O)[C@@H]2C1 1075889748 VOTMERHMCHUUOI-UONOGXRCSA-N 305.378 -0.599 30 20 DBED C[C@@H](CCNC(=O)c1cnnn1C)NC(=O)c1ccc(C#N)[nH]1 1076333674 CVLJKBPGYZPDJF-VIFPVBQESA-N 315.337 -0.047 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1cnn[nH]1 1077125273 QUYJPDPDTHXHJN-AAEUAGOBSA-N 318.381 -0.473 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)c2cnc3[nH]c(O)nc3c2)C1 1077266843 LXAVEEJHMVZBOS-VXGBXAGGSA-N 315.333 -0.538 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3ccnn3)cc2)C1 1077991459 PUXXEDZABOUSNS-ZIAGYGMSSA-N 312.333 -0.434 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)c2ccc(C(=O)NC)nc2)C1 1078021954 PFKNMFGWMKGUII-ZIAGYGMSSA-N 316.361 -0.761 30 20 DBED C#CCN[C@@H]1C[C@H](NC(=O)c2cn(CC(N)=O)nn2)C12CCC2 1078818717 BIELRUFPCICVRF-NEPJUHHUSA-N 316.365 -0.973 30 20 DBED C=CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)[C@H]2CCC(=O)N2)C1 1079979533 HPTYJEHHXXHETA-DGCLKSJQSA-N 323.393 -0.085 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cc(C)no2)C1 1081256596 NPNWYUWKRCNSSX-NWDGAFQWSA-N 323.349 -0.265 30 20 DBED C=CCCC(=O)N1C[C@H](CNC(=O)Cc2n[nH]c(C)n2)[C@@H](O)C1 1081476289 DPFTWAINICIGIQ-RYUDHWBXSA-N 321.381 -0.443 30 20 DBED C#CCCN1C[C@@H](NC(=O)c2ccc(C(N)=O)nc2)[C@H](OC)C1 1082395527 GMNSHNRQJBMIAE-ZIAGYGMSSA-N 316.361 -0.367 30 20 DBED C[C@@H]1CN(C(=O)[C@H]2CN3CC4CC3(CO2)C4)C[C@H]1NCC#N 1082653360 HFGPCUPGASKTFK-AYVTUFRQSA-N 304.394 -0.190 30 20 DBED C=C(C)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CC(=O)N(C)C1 1083098008 BMROAHWQJADAQE-HZSPNIEDSA-N 307.394 -0.048 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2cnoc2-c2cnn(C)c2)C1 1083667882 PRBQVJVSSFXLPO-OLZOCXBDSA-N 315.333 -0.517 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)C[C@H]3CC(=O)NC3=O)C[C@@H]2C1 1088223227 ROIKSQAKFYXWAR-UPJWGTAASA-N 303.362 -0.547 30 20 DBED N#Cc1ccc(N2CCCO[C@@H](CNC(=O)C(N)=O)C2)cn1 1089557488 XMKHNOCTKILAGF-LBPRGKRZSA-N 303.322 -0.850 30 20 DBED N#Cc1ccc(N2C[C@@H]3CCN(C(=O)CNC(N)=O)[C@@H]3C2)nn1 1090289297 WZXSVNPITZXISO-GXSJLCMTSA-N 315.337 -0.946 30 20 DBED COC[C@@H](C)C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1O 1090386793 AJBCMDZTVXIJAX-YUSALJHKSA-N 305.338 -0.704 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1O 1090408327 PYIHWYRSDFGIAA-UEKVPHQBSA-N 317.349 -0.659 30 20 DBED C#CCN1CC[C@H](NC(=O)c2nnn(CC)c2CC)[C@H](O)C1 1090571656 ZIMCOOLDHALXSN-WCQYABFASA-N 305.382 -0.341 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2nn(CC)nc2C)[C@@H](O)C1 1090851695 HRUNEHVVTODMLO-OLZOCXBDSA-N 305.382 -0.205 30 20 DBED CC(C)N(C)CC(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1091117735 RLXRVPJIFVBLSP-OLZOCXBDSA-N 318.381 -0.646 30 20 DBED CNC(=O)NCC(=O)N[C@H]1CCN(c2ncccc2C#N)[C@@H]1C 1092057218 GERXICYRWLBKIV-PWSUYJOCSA-N 316.365 -0.034 30 20 DBED C=C[C@](C)(O)CC(=O)NCCNc1ncnc2c1nnn2C 1093572252 NYHXZQSAYKQXCZ-ZDUSSCGKSA-N 305.342 -0.387 30 20 DBED N#Cc1ccc(NCCNC(=O)[C@@H]2CCc3nn[nH]c3C2)nn1 1093761226 VVZRZDVZFDSVIS-SECBINFHSA-N 312.337 -0.200 30 20 DBED C[C@H](C(=O)NCCNc1cncc(C#N)n1)[C@H]1CCC(=O)N1 1094132908 IRLWXRSVTYWTFE-GXSJLCMTSA-N 302.338 -0.209 30 20 DBED N#CCN1CC(n2cc(CNC(=O)c3cnsn3)nn2)C1 1094277658 RWVLMDBVYZXRKF-UHFFFAOYSA-N 304.339 -0.560 30 20 DBED C#CCN1CC(n2cc(CNC(=O)c3[nH]c(O)nc3C)nn2)C1 1094298096 GBHKZKUPCVJQDJ-UHFFFAOYSA-N 315.337 -0.565 30 20 DBED Cc1nc(C)c(C(=O)NCc2cn(C3CN(CC#N)C3)nn2)[nH]1 1094319191 VRDDFTWBEQQNCH-UHFFFAOYSA-N 314.353 -0.072 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)[C@H](C)n3cncn3)CC2=O)C1 1094726299 LEPZUXLQKHHRDF-NWDGAFQWSA-N 318.381 -0.574 30 20 DBED CCOC1CC(C(=O)N[C@@H]2CC(=O)N(C3CN(CC#N)C3)C2)C1 1094729515 FYTVQIXLDIFUBY-MBHSVXNSSA-N 320.393 -0.274 30 20 DBED Cc1cncn1CC(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1 1094759533 JUARHTKMTDPNTM-GFCCVEGCSA-N 316.365 -0.884 30 20 DBED CNC(=O)CC(=O)NC1CCN(c2cncc(C#N)n2)CC1 1095406724 OPCKVGFOQSAYKO-UHFFFAOYSA-N 302.338 -0.431 30 20 DBED CCc1nc(C#N)cc(N[C@H]2C[C@@H](NC(=O)CNC(N)=O)C2)n1 1097145903 FPVPHOHGDZUGSC-DTORHVGOSA-N 317.353 -0.362 30 20 DBED Cn1nccc1C(=O)N1CC[C@H](n2cc(CNCC#N)nn2)C1 1098629099 HEDFPVZUYRTIIJ-LBPRGKRZSA-N 314.353 -0.288 30 20 DBED COC[C@H](OC)C(=O)N1CC[C@H](n2cc(CNCC#N)nn2)C1 1098721801 KSYHVADYLIMRLN-STQMWFEESA-N 322.369 -0.674 30 20 DBED C[C@H](CCNC(=O)[C@H]1COCCN1C)Nc1cncc(C#N)n1 1099022959 YGYFMQMRAVLRND-DGCLKSJQSA-N 318.381 -0.014 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2cccn2C)[C@@H](O)C1 1099669180 NPUXYQFUUCSOPY-ZFWWWQNUSA-N 305.378 -0.160 30 20 DBED C[C@@H](CCNC(=O)[C@]1(C)CCNC1=O)N=c1cc[nH]c(C#N)n1 1099687860 GGDUYUPESCLDNI-BONVTDFDSA-N 316.365 -0.397 30 20 DBED Cn1ccnc1CN1CC[C@H](NC(=O)C#CC2CC2)[C@@H](O)C1 1099813986 XRYXAIMIIWHQMK-KBPBESRZSA-N 302.378 -0.115 30 20 DBED C#CCN1CC[C@H](NC(=O)CCc2c(C)ncnc2O)[C@@H](O)C1 1099904221 RWYNLOLMWAHNLD-KBPBESRZSA-N 318.377 -0.392 30 20 DBED COC(=O)[C@H]1C[C@H]1C(=O)NCCN(C)c1ccc(C#N)nn1 1099961387 RLXLXXRVDXTGLW-MNOVXSKESA-N 303.322 -0.290 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2c(C)n[nH]c2C)[C@@H](O)C1 1100038084 DEOXFPGDKWOOKZ-KGLIPLIRSA-N 320.393 -0.159 30 20 DBED N#CCN1CC[C@H](NC(=O)COCc2cccnc2)[C@H](O)C1 1100090295 RVIOBRHMFBBHCR-UONOGXRCSA-N 304.350 -0.327 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CCN2CCCC2=O)[C@H](O)C1 1100116094 LXYDEASJWSPXJH-ZIAGYGMSSA-N 307.394 -0.426 30 20 DBED CN(CCNC(=O)c1cn(C)c(=O)n1C)c1cnc(C#N)cn1 1100153510 QULXXWRBERIYTB-UHFFFAOYSA-N 315.337 -0.748 30 20 DBED CN(CCNC(=O)CC1CS(=O)(=O)C1)c1ccc(C#N)nn1 1100219989 WLFYCFSLOGJVMC-UHFFFAOYSA-N 323.378 -0.665 30 20 DBED C#CCNC1CC(CNC(=O)Cc2ccc(C(N)=O)nc2)C1 1100446932 GVGNOIKHHKFHBN-UHFFFAOYSA-N 300.362 -0.159 30 20 DBED Cc1n[nH]cc1C(=O)NCC1CC(NCC(=O)NCC#N)C1 1100554677 CGYTVUVLGDQDRR-UHFFFAOYSA-N 304.354 -0.544 30 20 DBED N#Cc1cccnc1N1CC[C@H](CNC(=O)Cn2cnnn2)C1 1100927768 PNFHDMKRYSWWAF-LLVKDONJSA-N 312.337 -0.418 30 20 DBED C=CCOCC(=O)NC[C@@H]1CCN(c2ccc3nnnn3n2)C1 1100946764 ZFZAOHYQALYFIQ-NSHDSACASA-N 317.353 -0.336 30 20 DBED CCCN(CCNC(=O)C(N)=O)c1cc(C#N)nc(CC)n1 1101227551 UKMMBPHDXAZEIX-UHFFFAOYSA-N 304.354 -0.271 30 20 DBED N#Cc1cccnc1N(CCNC(=O)Cn1ncnn1)C1CC1 1101391340 XAPCQIJPMZCWFR-UHFFFAOYSA-N 312.337 -0.275 30 20 DBED N#Cc1nccc(N(CCNC(=O)[C@@H]2CCNC2=O)C2CC2)n1 1101419064 SRNVMLRXIQXBBB-LLVKDONJSA-N 314.349 -0.431 30 20 DBED CC[C@@H](CNC(=O)CNC(=O)NC)Nc1nc(C)cc(C#N)n1 1103352975 RMTFQDGSNUQPMY-JTQLQIEISA-N 319.369 -0.108 30 20 DBED CN(C)CC1(C(=O)N2CC(n3cc(CNCC#N)nn3)C2)CC1 1105314456 SKYBTJWBIZOXQZ-UHFFFAOYSA-N 317.397 -0.384 30 20 DBED C=CCNCc1cn(C2CN(C(=O)c3nonc3C)C2)nn1 1105382275 DWWVTMMDXQBANP-UHFFFAOYSA-N 303.326 -0.058 30 20 DBED COCCCOCC(=O)NC[C@@H](O)CN=c1cc[nH]cc1C#N 1105960109 YQMYCSZBZHDDTE-ZDUSSCGKSA-N 322.365 -0.683 30 20 DBED COC1CC(C(=O)NC[C@@H](O)CN=c2cc[nH]cc2C#N)C1 1105997270 NKRAKNGWNCCWFY-YDGIUTOCSA-N 304.350 -0.311 30 20 DBED C[C@@H]1[C@H](C(=O)NC[C@@H](O)CN=c2cc[nH]cc2C#N)CCN1C 1106152581 BAONSOIERPCLNA-KWCYVHTRSA-N 317.393 -0.396 30 20 DBED C[C@@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)[C@]1(C)CCC(=O)N1 1106556888 JGXQERIBEDUEHV-BONVTDFDSA-N 316.365 -0.254 30 20 DBED CCc1nc(C#N)cc(NC[C@@H](C)NC(=O)CNC(N)=O)n1 1107623963 UHQGHZWQAILNQM-MRVPVSSYSA-N 305.342 -0.504 30 20 DBED C=CCOCC(=O)NC[C@@]1(C)CN([C@H](C)C(=O)NC)CCO1 1107812735 CYCHDPOBWVSQAG-DOMZBBRYSA-N 313.398 -0.469 30 20 DBED C[C@H](C#N)C(=O)NC[C@]1(C)CN(Cc2cnnn2C)CCO1 1107819307 NMSGKJSQHREDJB-BXUZGUMPSA-N 306.370 -0.318 30 20 DBED CC#CCN1CCO[C@](C)(CNC(=O)c2cc(=O)n(C)o2)C1 1107898292 AOLJKBSTKUNIJL-OAHLLOKOSA-N 307.350 -0.178 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)c2cn(CCOC)nn2)C1 1107939969 MUGJSOYRNXOQKA-OAHLLOKOSA-N 321.381 -0.622 30 20 DBED Cc1nc(NC[C@@H](C)NC(=O)[C@H]2CNC(=O)N2)ccc1C#N 1108076819 YEBOVGQSDBIOOW-LDYMZIIASA-N 302.338 -0.140 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)C(=O)NCC(F)(F)F)C1 1108309495 TWCMPPAXVOWSFH-LBPRGKRZSA-N 321.299 -0.495 30 20 DBED CCN1CCO[C@H](C(=O)N[C@@H](C)CNc2cncc(C#N)n2)C1 1108396233 JPIMEHUPDSZPTI-AAEUAGOBSA-N 318.381 -0.014 30 20 DBED C#CCCN1CC(N2C[C@@H](NC(=O)C[C@@](C)(O)C=C)CC2=O)C1 1108539069 UXIBYTLWCYIOSP-GUYCJALGSA-N 319.405 -0.262 30 20 DBED COCCCN1CC(N2C[C@@H](NC(=O)C#CC3CC3)CC2=O)C1 1108544623 HIUCJYILKVWATO-AWEZNQCLSA-N 319.405 -0.162 30 20 DBED N#CCNC(=O)CN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccon1)C2 1108631716 NJAPGFCDVCHOAD-TUAOUCFPSA-N 317.349 -0.103 30 20 DBED C[C@H](CN(C)c1nccnc1C#N)NC(=O)[C@H]1CCNC1=O 1109204829 CCDFMRSPDFEPKV-ZJUUUORDSA-N 302.338 -0.575 30 20 DBED C[C@H](CN(C)c1ccc(C#N)nn1)NC(=O)[C@]1(C)CCNC1=O 1109240953 XDKOQGGUQBPSTE-MEBBXXQBSA-N 316.365 -0.185 30 20 DBED N#Cc1cnc(NC[C@H](NC(=O)CCNC(N)=O)C2CC2)cn1 1109850253 SBVXAFCEWPCGJF-NSHDSACASA-N 317.353 -0.287 30 20 DBED N#Cc1ccc(NC[C@@H](NC(=O)Cn2ncnn2)C2CC2)cn1 1109917816 PNWHKSNTHVPSDB-CYBMUJFWSA-N 312.337 -0.053 30 20 DBED CNC(=O)CC(=O)N1CC[C@](C)(CN=c2cc[nH]c(C#N)n2)C1 1110836833 SMJROXZMHOGXIR-OAHLLOKOSA-N 316.365 -0.443 30 20 DBED COCCC(=O)NC[C@H]1COCCN1c1ccc(C#N)nn1 1111649345 JMKWNDIKBIVQET-LBPRGKRZSA-N 305.338 -0.294 30 20 DBED COCC#CCN1C[C@@H]2CCC[C@]2(NC(=O)CCNC(N)=O)C1 1111975220 YPIWBUCBOROPLZ-BBRMVZONSA-N 322.409 -0.335 30 20 DBED C#Cc1cncc(C(=O)N2CCN(C[C@H](O)COC)CC2)c1 1113331077 GMXOMAPQEGXFGE-HNNXBMFYSA-N 303.362 -0.172 30 20 DBED CC(=O)NCCOCCN1C[C@H]2C(NC(=O)[C@H](C)C#N)[C@@H]2C1 1114066246 ADRTVPBTKMDDNI-RAIGVLPGSA-N 308.382 -0.655 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)Cc3n[nH]c(C)n3)[C@@H]2C1 1114244643 DNIXFAAXYVXGMH-VXGBXAGGSA-N 303.366 -0.648 30 20 DBED C#CCOCCC(=O)NC1[C@@H]2CN([C@@H]3CCCNC3=O)C[C@@H]12 1114266801 XBXMOBLQDGJWIU-JHJVBQTASA-N 305.378 -0.649 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3[nH]cnc3C)[C@H]2C1 1115356482 KMKXLLZCMAYDQV-YABSGUDNSA-N 303.366 -0.320 30 20 DBED COCC#CCNC1(CNC(=O)Cn2ncnn2)CCCCC1 1115538316 BOULZOCJYNNUAX-UHFFFAOYSA-N 320.397 -0.268 30 20 DBED N#Cc1cccnc1NCCNC(=O)C(=O)NC[C@H]1CCOC1 1117038709 RBTTZFJKPDSMPE-LLVKDONJSA-N 317.349 -0.366 30 20 DBED CC(C)N1C[C@H](NC(=O)C(=O)NCC2(CC#N)CC2)CC1=O 1117223003 OTVHHEQZTHZFIX-LLVKDONJSA-N 306.366 -0.078 30 20 DBED C=C(C)[C@H]1OCC[C@@H]1Cn1nnnc1N1CCCNC(=O)C1 1120204625 ULEQWFXCDPVMFX-DGCLKSJQSA-N 306.370 -0.019 30 20 DBED N#Cc1nc(=N[C@H](CO)CNC(=O)c2ccnc(F)c2)cc[nH]1 1121172372 NSZWEEASJAFURQ-JTQLQIEISA-N 316.296 -0.493 30 20 DBED CCNC(=O)CCC(=O)NC[C@@H](CO)Nc1cncc(C#N)n1 1121204356 GESWKYGXYPZRLT-NSHDSACASA-N 320.353 -0.846 30 20 DBED C[C@@](O)(CC(=O)NC[C@@H](CO)Nc1cncc(C#N)n1)C1CC1 1121340424 XEMYDYZAUSVTND-SWLSCSKDSA-N 319.365 -0.212 30 20 DBED Cc1nonc1CC(=O)NC[C@@H](CO)Nc1nccnc1C#N 1121956685 UJHOIOASWGOQCX-VIFPVBQESA-N 317.309 -0.829 30 20 DBED Cc1cc(C#N)nc(N[C@H](CO)CNC(=O)Cc2ncc[nH]2)n1 1121976944 JJWAENZCLUGCLZ-NSHDSACASA-N 315.337 -0.489 30 20 DBED COCCO[C@@H](C)C(=O)NC[C@@H](CO)Nc1ccc(C#N)nc1 1122012665 MPRLJTHCQDAKCG-FZMZJTMJSA-N 322.365 -0.106 30 20 DBED C=CCCC(=O)N(C)C[C@@H](O)CNc1ncnc2c1nnn2C 1124165193 YRMKNVRJUOQKJY-JTQLQIEISA-N 319.369 -0.044 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)[C@H]1CCOC1 1124513567 AEMINICISPPETG-MNOVXSKESA-N 312.370 -0.871 30 20 DBED CC(C)CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)[C@H](C)C#N 1124908100 DACDTRMYJOUHRW-GHMZBOCLSA-N 311.386 -0.278 30 20 DBED C#CCNC(=O)CC(=O)NCCNCCOC[C@H]1CCCO1 1125998651 SIALLVNODGUQOX-CYBMUJFWSA-N 311.382 -0.973 30 20 DBED C#CCO[C@H](C)C(=O)NCCNCC(=O)NCc1ccco1 1127045503 CHQPNLRIDZRAJJ-GFCCVEGCSA-N 307.350 -0.360 30 20 DBED C#CCC1(C(=O)N[C@@H]2CN(CCO)C[C@@H]2n2ccnn2)CCC1 1129049284 VUYFUSYVWBGGPQ-KGLIPLIRSA-N 317.393 -0.195 30 20 DBED CC(C)CN1CC[C@H](C(=O)NCCNCC(=O)NCC#N)C1 1129340599 NNNZVEUATGOJMC-ZDUSSCGKSA-N 309.414 -0.690 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CN(C(C)=O)C[C@@H]1n1ccnn1 1129521933 XWGRNALEOGSVSC-UHTWSYAYSA-N 306.370 -0.670 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCNCc1nc(COC)no1 1129775762 TXYKCQNAIRWPRC-LBPRGKRZSA-N 321.381 -0.481 30 20 DBED CC#CCN[C@@H]1CN(C(=O)CCN(C)CC)C[C@@H]1n1ccnn1 1130075293 QFTBYJXXYIGANN-CABCVRRESA-N 318.425 -0.015 30 20 DBED C=CCO[C@H](C)C(=O)N1C[C@@H](NCCO)[C@H](c2cn(C)cn2)C1 1130741900 VUNSUQFMKFPOJO-VNHYZAJKSA-N 322.409 -0.113 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1cccn2nccc12 1130816699 GOTVJDPADOVBJN-UHFFFAOYSA-N 300.322 -0.707 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)c1cncc(OC)n1 1134832521 FHIMCWOMZXXPHC-SNVBAGLBSA-N 307.354 -0.505 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)c1n[nH]cc1F 1135408060 REJCTQHJNJYKBE-ZJUUUORDSA-N 309.345 -0.215 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1ccnn1CC(C)C 1159067853 PXPHBXIMGXYYPQ-UHFFFAOYSA-N 319.409 -0.002 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)Cc1cn(C)nc1C 1160062010 NMPCCRZUYKHANU-CYBMUJFWSA-N 319.409 -0.495 30 20 DBED C#CCN1CC=C(CCNC(=O)Cn2nc(C)n(C)c2=O)CC1 1161806098 YXFJNBMVCYEYEW-UHFFFAOYSA-N 317.393 -0.338 30 20 DBED C#CCN1CC=C(CCNC(=O)c2nccnc2C(N)=O)CC1 1161839154 CSHOSHXNQXEAMC-UHFFFAOYSA-N 313.361 -0.039 30 20 DBED C=CCn1cc(C(=O)NCCCNCC(=O)N2CCC2)nn1 1167831957 QMINEHBTNJOZTA-UHFFFAOYSA-N 306.370 -0.594 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)CCCN(C)C(C)=O 1174795474 NZUYUJMIBJFVCP-CYBMUJFWSA-N 324.425 -0.521 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC[C@H](NC[C@@H](O)COC)[C@@H]1C 1178572440 IAVRFLKMJREZIO-XFMPKHEZSA-N 300.399 -0.100 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)CN2CCCC2=O)C1 1188792592 HUSCZIOHGUPGAG-ZDUSSCGKSA-N 322.409 -0.556 30 20 DBED C=CCCOCC(=O)N1CC[C@H](N(C)Cc2nnn(C)n2)C1 1194381750 MTORIRMMXNJCLR-LBPRGKRZSA-N 308.386 -0.165 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)CNC(=O)c2cscn2)C1 1197551223 FJQCFIJUNAYMOO-ZYHUDNBSSA-N 322.390 -0.943 30 20 DBED C=CCO[C@H](C)C(=O)N1CCCN(Cc2nnnn2C)CC1 1198337045 JGAIWKYUCJDPGE-GFCCVEGCSA-N 308.386 -0.165 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)c2cnn(C)c2)C1 1199590744 KJTITMBOUSFRGZ-NWANDNLSSA-N 322.409 -0.113 30 20 DBED COCC#CCNC[C@H]1CN(C(=O)[C@H]2CCC(=O)N2)CCCO1 1200093785 ZXMFDPZFOLQZLO-UONOGXRCSA-N 323.393 -0.878 30 20 DBED CNC(=O)NC(C)(C)C(=O)N1CCCO[C@@H](CNCC#N)C1 1202141425 OILJVBQVDYMCTH-NSHDSACASA-N 311.386 -0.575 30 20 DBED N#CCNC(=O)CN[C@H]1C[C@@H](NC(=O)c2cn[nH]c2)C12CCC2 1202492311 YTNRDBZSVHWCCS-NWDGAFQWSA-N 316.365 -0.320 30 20 DBED CO[C@@H](C(=O)N1CCC(CNCC(=O)NCC#N)CC1)C1CC1 1205137558 NFUPDRXSQDPMEJ-OAHLLOKOSA-N 322.409 -0.121 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC(CNCC(=O)NC(N)=O)CC1 1205264477 GBLQVPIHYGJDON-NSHDSACASA-N 324.381 -0.952 30 20 DBED CC#CCNCC1CCN(C(=O)CS(=O)(=O)NC)CC1 1206934563 RXHWIZJNLAIBDO-UHFFFAOYSA-N 301.412 -0.613 30 20 DBED C=C(Cl)CN1C[C@@H](NC(=O)CNS(=O)(=O)NC)[C@H](C)C1 1208163181 FBEJJBHGEBLXDG-PSASIEDQSA-N 324.834 -0.771 30 20 DBED C=CCOCCN[C@H]1CCCN(C(=O)Cn2ncn(C)c2=O)C1 1208456567 LJSCJRJPWWHEOM-ZDUSSCGKSA-N 323.397 -0.635 30 20 DBED N#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)Cc2cccs2)C1 1219098304 GMZCYNQDMCIOGC-NEPJUHHUSA-N 322.390 -0.908 30 20 DBED COc1cc(CN2C[C@H](O)[C@H](NC(=O)[C@H](C)C#N)C2)ccn1 1219378712 CUBFASBMRDXMKU-RTXFEEFZSA-N 304.350 -0.089 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)CCCC=C)C1 1220247485 DWKPZHUHMJMENN-MJBXVCDLSA-N 307.394 -0.358 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](NC(=O)CCN2CCOCC2)C1 1220553744 RDKRZWIFWHGSEE-CABCVRRESA-N 311.426 -0.164 30 20 DBED N#CCNC(=O)CN1CC[C@@H]2CN(C(=O)[C@@H]3CCCO3)[C@@H]2C1 1221242792 ZYPPQYJIIYVXSZ-UPJWGTAASA-N 306.366 -0.662 30 20 DBED COCC#CCN1CC[C@@H]2CN(C(=O)CO[C@H]3CCOC3)[C@@H]2C1 1221546211 LBGVEAQBOMILOM-OWCLPIDISA-N 322.405 -0.026 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)[C@H](CCC)S(N)(=O)=O)[C@@H]2C1 1221712579 HJADOLLSRZANNR-UPJWGTAASA-N 313.423 -0.391 30 20 DBED C=CCNC(=O)CN1CC[C@@H]2CN(C(=O)Cc3cnc[nH]3)[C@@H]2C1 1221835229 CBUKKGLYUNPPQA-TZMCWYRMSA-N 317.393 -0.213 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)CCc2ccon2)CC1 1228265598 CSPKVHXZXNMDIO-UHFFFAOYSA-N 318.377 -0.063 30 20 DBED C=CCN1CCC(NC(=O)[C@@H](CCC(N)=O)NC(C)=O)CC1 1229625245 BESCKVAPSHDSMV-CYBMUJFWSA-N 310.398 -0.477 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@@H]1CN(C)C(=O)c1cnsn1 1230856593 XRESMUWEYDZEJM-WDEREUQCSA-N 321.406 -0.178 30 20 DBED C=CCNC(=O)[C@H](C)N1CC[C@@H]1CN(C)C(=O)c1cnnn1C 1233992349 WWQKMXOMOINHRJ-NWDGAFQWSA-N 320.397 -0.348 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)Cc1ccn(C)n1 1234223800 CLYIAIJHHPUVKB-AWEZNQCLSA-N 317.393 -0.755 30 20 DBED COC(=O)[C@@H](C)CNC(=O)C(=O)Nc1cc(C)nn1CCC#N 1253369930 VJABOJVZUVSTSC-VIFPVBQESA-N 321.337 -0.031 30 20 DBED C#CCOCCNC(=O)C(=O)N(C)Cc1ccc(OC)nc1 1261669827 USDXLBMNMYDNCY-UHFFFAOYSA-N 305.334 -0.185 30 20 DBED C#CCN(C(=O)c1cnn2c1S(=O)(=O)N(C)CC2)C1CC1 1263795010 JAAFAYHOKIRSOB-UHFFFAOYSA-N 308.363 -0.245 30 20 DBED CC(C)NC(=O)CN(C)C(=O)CCN/C(O)=C1/N=CC=CC1=O 1319259423 INQOAEDUDIHIPI-PFONDFGASA-N 322.365 -0.114 30 20 DBED O=C(COC(=O)C#Cc1ccccc1)N[C@@H]1CCS(=O)(=O)C1 1319781956 LOHUKUKRPGBSPO-CYBMUJFWSA-N 321.354 -0.115 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@@H](CC)COC 1321450475 NQBMMABRJCIZIR-JTQLQIEISA-N 306.384 -0.755 30 20 DBED CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N(C)CCNS(C)(=O)=O 1322784916 VZDKJBHAKSPLEZ-DGCLKSJQSA-N 318.443 -0.090 30 20 DBED C[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@H](C#N)C1)S(C)(=O)=O 1325973086 DGIZYXCVFZUSOA-KXUCPTDWSA-N 301.368 -0.656 30 20 DBED COCC#CC(=O)NC[C@@H]1CCCC[C@H]1NS(C)(=O)=O 1328688552 SMLVWKUSUIPRQP-NWDGAFQWSA-N 302.396 -0.140 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N1CCC(C(=O)NOC)CC1 1329750715 KIQHUNOIJMUDFG-UHFFFAOYSA-N 319.361 -0.612 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)NC[C@@H](OC)C(C)C 1329802682 ZYOVOOYZQWSZRC-LLVKDONJSA-N 320.411 -0.509 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CCCOC[C@@H]2C)nn1 1332058509 UCWVLPMRPMZKHB-NSHDSACASA-N 307.354 -0.282 30 20 DBED C=CCCCCNC(=O)C(=O)NCCNC(=O)c1cc[nH]n1 1343312189 OPEVLOHYUZYHBK-UHFFFAOYSA-N 307.354 -0.272 30 20 DBED CC#CCN(C)c1nnnn1CCCNS(=O)(=O)CC 1343800311 SZECQEVAKIEPSW-UHFFFAOYSA-N 300.388 -0.538 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N[C@H](CC)CN1CCOCC1 1354913779 ADAKMDXHLRDLEM-OAHLLOKOSA-N 319.405 -0.302 30 20 DBED C[C@@H]1CN(C(=O)Cn2cc(C#N)c(O)nc2=O)CC(C)(C)O1 1361872362 UTNLFSRADHAXFD-SECBINFHSA-N 306.322 -0.154 30 20 DBED N#Cc1cn(CC(=O)N2CCOCC3(CCC3)C2)c(=O)nc1O 1362324972 WPLISUFPJXDHDY-UHFFFAOYSA-N 318.333 -0.150 30 20 DBED COC(=O)c1cc(C#N)c(=O)n(C[C@H]2CCS(=O)(=O)C2)c1 1363175043 HBDOREAKNAYYEL-SECBINFHSA-N 310.331 -0.059 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNCC(=O)N(C)c1ccccc1 1379192125 VZKIRJGRHNMXGN-GXTWGEPZSA-N 318.377 -0.124 30 20 DBED Cc1nn(C)c(=O)c(C(=O)NCCN(C)C(=O)[C@H](C)C#N)c1C 1387954190 OZUHFWYVXRTLLN-SECBINFHSA-N 319.365 -0.255 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1c2c(nn1C)CCC2 1389123236 LPNWEKJKZMURMJ-UWVGGRQHSA-N 319.365 -0.725 30 20 DBED CC[C@@H](CNC(=O)c1cn(C)nn1)NC(=O)c1ccc(C#N)[nH]1 1390447234 YKJFSXJWAZGOJG-VIFPVBQESA-N 315.337 -0.047 30 20 DBED Cc1nnc(N2CCO[C@H](C#N)C2)n1CC1(O)CCOCC1 1401414069 FWRQXGRUGLDOPG-GFCCVEGCSA-N 307.354 -0.143 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)c2ccc3nn[nH]c3n2)CC1 1410746409 COLVQJVMNQGXNO-MRVPVSSYSA-N 313.321 -0.109 30 20 DBED CCN(CCC#N)S(=O)(=O)N[C@H](C(N)=O)c1ccccn1 1413350361 DGCVODPGOFLCEB-NSHDSACASA-N 311.367 -0.322 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]1CNC(=O)CCN1CCCC1=O 1417026740 SAUCECJILISOAC-RYUDHWBXSA-N 306.366 -0.124 30 20 DBED C[C@H](CNC(=O)c1cc(C#N)c[nH]1)N(C)C(=O)[C@@H]1COC(=O)N1 1424099317 LAGHCVLBRYJISS-KCJUWKMLSA-N 319.321 -0.429 30 20 DBED C[C@H](C#N)C(=O)NC1CC(N(C)C(=O)c2c[nH]c(C(N)=O)c2)C1 1428467491 UYDURIQJEPDJDP-MFAVDMRSSA-N 317.349 -0.008 30 20 DBED C[C@@H](CNC(=O)c1ccc(C#N)[nH]1)NC(=O)CCn1ccnn1 1428598803 OIOWKTGDFZOMAL-JTQLQIEISA-N 315.337 -0.197 30 20 DBED C[C@H](CNC(=O)[C@H]1CCC(=O)N1C)NC(=O)c1c[nH]c(C#N)c1 1428773022 VNGZBPCXQLGSAF-BXKDBHETSA-N 317.349 -0.258 30 20 DBED CC[C@@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)c1cnnn1C 1432636949 JEJREZUMAKYHTN-JTQLQIEISA-N 315.337 -0.047 30 20 DBED C[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N1CC[C@@](O)(CC#N)C1 1434833582 PISIZCQWLFCDCE-SCVCMEIPSA-N 301.368 -0.520 30 20 DBED CCN(CCC#N)C(=O)CN(C)[C@@H](C)CNC(=O)c1cnn[nH]1 1448038631 IORZRPBBOPGOMP-NSHDSACASA-N 321.385 -0.383 30 20 DBED Cc1n[nH]c(C)c1CCC(=O)NC[C@H](O)CNC(=O)[C@H](C)C#N 1457987536 RVPVAPOCKBLNMU-SKDRFNHKSA-N 321.381 -0.288 30 20 DBED N#Cc1cn(CCNC(=O)c2c(F)cncc2F)c(=O)nc1O 1470360498 IFVGMZSUHJTVAY-UHFFFAOYSA-N 321.243 -0.076 30 20 DBED N#Cc1c[nH]c(C(=O)NCCN2CCN(CCCO)CC2)c1 1490487034 UBRBEPIPELQVMW-UHFFFAOYSA-N 305.382 -0.384 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CCN(C(=O)c2cc(C(N)=O)c[nH]2)C1 1495286271 TUDNSMXXDGCENC-VHSXEESVSA-N 317.349 -0.148 30 20 DBED CC(=O)N(C)CC(=O)N(C)C[C@H](C)NC(=O)c1cc(C#N)c[nH]1 1510461229 ZSAPQCVAUHZGDD-JTQLQIEISA-N 319.365 -0.059 30 20 DBED C=CCOC[C@H](NC(=O)[C@@H](NC(=O)C1CC1)[C@H](C)O)C(=O)O 1573369388 RSJGLSMYYNVTSM-LSJOCFKGSA-N 314.338 -0.966 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)NCc1nc[nH]c1C(=O)O 1573400497 YGPBIBKJDLYYJW-ZETCQYMHSA-N 301.328 -0.466 30 20 DBED C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CCN 1574631656 BFYHHVAXRQKAJV-UHFFFAOYSA-N 314.393 -0.064 30 20 DBED COC(=O)[C@@H]1CCN(c2cnc(-c3nn[nH]n3)c(C#N)n2)[C@H]1C 1579442152 BHGIWRAJKRSJSP-JGVFFNPUSA-N 314.309 -0.084 30 20 DBED N#Cc1ncc(N2CCN(C3COC3)CC2)nc1-c1nn[nH]n1 1581882147 MWHIXYBWNMNUDM-UHFFFAOYSA-N 313.325 -0.951 30 20 DBED C#CCN(CC(=O)O)c1nnc([C@@H]2C[C@@H](O)CN2C)n1CC 1588426748 AZAOQYJCWUBXLR-MNOVXSKESA-N 307.354 -0.440 30 20 DBED C#CCOCCNC(=O)C(=O)NCc1ccccc1CC(=O)O 1588491313 JBOSAIDITDLNFE-UHFFFAOYSA-N 318.329 -0.304 30 20 DBED C[C@](C#N)(CC(=O)O)C(=O)NC[C@H]1CCCS(=O)(=O)C1 1588557734 LCKDHAOYONWDEA-BXKDBHETSA-N 302.352 -0.068 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)O 1588684856 ZLHDLQXGDNHZJU-SKDRFNHKSA-N 305.352 -0.586 30 20 DBED CO[C@@H](C(=O)O)C(=O)N1CCN(c2cnccc2C#N)CC1 1593906490 YTZLDULFZYEHKU-GFCCVEGCSA-N 304.306 -0.299 30 20 DBED COCC#CC(=O)N1[C@H](C)SC[C@H]1C(=O)NCCC(=O)O 1599137861 DYRDWTCGUAAKPY-UWVGGRQHSA-N 314.363 -0.483 30 20 DBED CC(C)COC[C@@H](O)CNc1cnc(C#N)c(-c2nn[nH]n2)n1 1603303265 LBJYCKMPDSMCIJ-VIFPVBQESA-N 318.341 -0.026 30 20 DBED N#Cc1cc(C(=O)N2CCS(=O)(=O)C[C@H]2CC(=O)O)co1 1608193321 CJFKHNZLUFORKR-SECBINFHSA-N 312.303 -0.135 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@](C)(C(=O)O)C2)C1=O 1609373796 QSGYADZMOSDOHT-AWEZNQCLSA-N 323.305 -0.714 30 20 DBED C=CCNC(=O)[C@H](C)N1CC[C@@H](NC(=O)C(C)(C)NC(C)=O)C1 1690106924 URXQYSZFWGJSCZ-WCQYABFASA-N 324.425 -0.218 30 20 DBED C=CCNC(=O)CNC[C@H]1CCCCN1C(=O)c1cnon1 1700129181 JDGQRQNAYGAFPQ-LLVKDONJSA-N 307.354 -0.044 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@H](NC(=O)Cn2cccn2)C1 1713816833 WWPDHNDRFTVHRB-OLZOCXBDSA-N 303.366 -0.789 30 20 DBED C=CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)C23CCN(CC2)C3)C1 1731647307 XUVXIPNUHNZPMD-KBPBESRZSA-N 320.437 -0.037 30 20 DBED C=CCNC(=O)[C@H](C)N(C)CCCNC(=O)[C@@H]1CCC(=O)NC1 1752007344 CZJWZEZIKDHISI-QWHCGFSZSA-N 324.425 -0.359 30 20 DBED CC(C)C#CC(=O)NC[C@H](N[C@H](C)C(=O)NC(N)=O)C1CC1 1752464532 SOKJUGDYUXWICJ-PWSUYJOCSA-N 308.382 -0.286 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnsn1 1752524780 SBPCXJOSPHBHJB-PHIMTYICSA-N 319.390 -0.424 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@H](CNC(=O)CCCOC)C1 1753120960 VFBGSVBTLOZOOO-UONOGXRCSA-N 309.410 -0.011 30 20 DBED CN(CCNCC(=O)NCC#N)C(=O)c1c2c(nn1C)CCC2 1753254340 UWMAIZMOFLBIKM-UHFFFAOYSA-N 318.381 -0.790 30 20 DBED C#CCNC(=O)CN[C@H](CC)CNC(=O)Cn1ccnc1C 1753494310 CATRCGSFCUUNHU-CYBMUJFWSA-N 305.382 -0.575 30 20 DBED C=CCNC(=O)CNC[C@@]1(NC(=O)C(N)=O)CCCC[C@H]1C 1753536666 XFPOOOYOHZXEMS-ABAIWWIYSA-N 310.398 -0.571 30 20 DBED CC#CCCCC(=O)NC[C@@H](C)CNCC(=O)NC(=O)NC 1753639929 OLWIVIZYXLPJJL-LBPRGKRZSA-N 310.398 -0.023 30 20 DBED C#CCNC(=O)CNC[C@@H]1CCC[C@@H]1NC(=O)c1csnn1 1753891371 KHCVASWIBKNOGP-QWRGUYRKSA-N 321.406 -0.224 30 20 DBED COCC#CCNC[C@@H](O)CNC(=O)[C@@H]1Cc2ccccc2O1 1753917346 DFDDARSGVGDSSI-ZBFHGGJFSA-N 318.373 -0.293 30 20 DBED C#CCCNC[C@H](O)CNC(=O)c1ccc2nc(O)[nH]c2n1 1753926858 YJOYBHQFIVFFRE-VIFPVBQESA-N 303.322 -0.633 30 20 DBED Cc1cc(CC(=O)N[C@@H](C)CN(C)CC(=O)NCC#N)no1 1754305413 JPEASCBPVGDPHO-JTQLQIEISA-N 307.354 -0.398 30 20 DBED C#CCNC(=O)CN1C[C@H]2C[C@H]1[C@@H]2NC(=O)Cn1cc(C)cn1 1754420619 NPZRMVDJAJYLMV-DVOMOZLQSA-N 315.377 -0.870 30 20 DBED C=CCOCC(=O)NC[C@@]1(O)CCN([C@H](C)c2nnnn2C)C1 1754746809 ZWVCCKMXSBGMFD-RISCZKNCSA-N 324.385 -0.973 30 20 DBED C#CCCCCC(=O)NCC1(O)CN(CC(=O)NC(C)C)C1 1754774397 MVTZWBWXKFVLQF-UHFFFAOYSA-N 309.410 -0.133 30 20 DBED C[C@H](NC(=O)c1ccoc1)C(=O)N(CCO)CCNCC#N 1754884455 NQYVVSNCMAWRDJ-NSHDSACASA-N 308.338 -0.668 30 20 DBED C#CCNCCN(CCO)C(=O)Cn1ccc(C(F)(F)F)n1 1754897044 AZEQUOPWXPDJMX-UHFFFAOYSA-N 318.299 -0.054 30 20 DBED C#CCCN[C@@H]1CN(C(=O)CCCS(N)(=O)=O)C[C@@H]1C 1755114160 POZLSVJZMPCEGN-NWDGAFQWSA-N 301.412 -0.485 30 20 DBED C#CCNC(=O)CN[C@H]1CN(C(=O)c2ncccn2)C[C@@H]1C 1755118898 UDMWUOAHAGDNPT-RYUDHWBXSA-N 301.350 -0.724 30 20 DBED COCC#CCN[C@@H](C)[C@@H](C)NC(=O)c1ccc(C(N)=O)cn1 1755271323 ZXDXYSAEMTWLBV-NWDGAFQWSA-N 318.377 -0.073 30 20 DBED COCC#CCN[C@H](CO)CNC(=O)[C@@H](C)Cc1cnn(C)c1 1755643206 GSHWYDLEYRWJKT-ZFWWWQNUSA-N 322.409 -0.685 30 20 DBED C[C@@H]1C[C@H](NCC(=O)NCC#N)CN1C(=O)COCC1CC1 1755670237 PZGFXKGAOSTXFB-YPMHNXCESA-N 308.382 -0.368 30 20 DBED CO[C@@H](C(=O)N1C[C@@H](NCC(=O)NCC#N)C(C)(C)C1)C1CC1 1755754972 FPPZJAKKKMWHQY-TZMCWYRMSA-N 322.409 -0.122 30 20 DBED C=CCNC[C@H](O)CN(C)C(=O)c1ccc(-n2cncn2)nc1 1755784504 PCVCYLPLMYLMAT-ZDUSSCGKSA-N 316.365 -0.129 30 20 DBED C#CCNC[C@@H](O)CN(C)C(=O)c1ccc(CNC(N)=O)cc1 1755796142 MZNCFLOSFOZNGS-CQSZACIVSA-N 318.377 -0.489 30 20 DBED C=CC(C)(C)C(=O)N[C@@H](C)CN(C)C(=O)CN1C(=O)CNC1=O 1756498292 MEPJDQYRMKUIML-JTQLQIEISA-N 324.381 -0.287 30 20 DBED CC(C)C#CC(=O)N[C@H]1C[C@@H](C)N(C(=O)Cn2cnnn2)C1 1756576691 PQGSRDLDTBRMCH-NEPJUHHUSA-N 304.354 -0.562 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H](O)CN(C)C(=O)/C(C)=C/CC 1756655125 GUJUOGSOKDNBGB-WHGQRRHOSA-N 323.393 -0.582 30 20 DBED C=C[C@](C)(O)CC(=O)N(C)C[C@@H](O)CNC(=O)c1ccn(C)c1 1756660814 NDYHWLZBMVJBQA-BBRMVZONSA-N 323.393 -0.099 30 20 DBED C#CCO[C@@H](C)C(=O)NCCC1(CNC(=O)c2cnn[nH]2)CC1 1756894255 FIKMNUVIHGIBPL-NSHDSACASA-N 319.365 -0.141 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(C(=O)C2CCN(C)CC2)C[C@H]1O 1756991677 KHWDLJPXOBDEKR-HUUCEWRRSA-N 321.421 -0.180 30 20 DBED CC#CCCCC(=O)N[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1O 1757025602 BAEYYZINAGTNFP-GHMZBOCLSA-N 305.338 -0.700 30 20 DBED C=C(C)CCC(=O)N[C@@H]1CN(C(=O)c2ccc(O)nn2)C[C@@H]1O 1757179437 SNPDXRVCKNIKIC-NEPJUHHUSA-N 320.349 -0.160 30 20 DBED NS(=O)(=O)CCNN=Cc1cccn2c(C(=O)O)cnc12 1776047117 VNEVNMSJHAFDML-UHFFFAOYSA-N 311.323 -0.756 30 20 DBED CO[C@@H]1C[C@H](C(=O)O)CN(S(=O)(=O)N(C)[C@H](C)CC#N)C1 1777159214 MZUKNLGAVPXMTL-OUAUKWLOSA-N 319.383 -0.113 30 20 DBED C#CCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 57022505 QWIFTPUXEDGGEF-UHFFFAOYSA-N 307.331 -0.140 30 20 DBED CCN(CC)C(=O)CN1CCCN(CC(=O)NCC#N)CC1 66492826 HIWCLWNHTQBNMI-UHFFFAOYSA-N 309.414 -0.498 30 20 DBED C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCN(CC(N)=O)CC1 74191508 WILATOPDSSFSRA-LBPRGKRZSA-N 315.377 -0.012 30 20 DBED C[C@@H]1C[C@H](Nc2c(C#N)c(=O)n(C)c(=O)n2C)CN1C1CC1 133563270 MCNJDYINWBCIPO-ZJUUUORDSA-N 303.366 -0.007 30 20 DBED C#CCCCCNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 156317069 HQKLWLGSLCQKRR-UHFFFAOYSA-N 317.349 -0.647 30 20 DBED C=CCNC(=O)NC(=O)CN[C@@](C)(C(N)=O)c1ccccc1 195224817 ZHTFZGYXIYUSQR-OAHLLOKOSA-N 304.350 -0.012 30 20 DBED C=CCN(CC=C)[C@@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O 266809453 MUBOLEOTVXCZKG-JTQLQIEISA-N 306.366 -0.089 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCCN(CC)CCC)C1=O 266920120 OTWXLGBTBQLJBX-UHFFFAOYSA-N 324.381 -0.189 30 20 DBED C=CCCCC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 267120778 TZOUZVWISAFXSD-UHFFFAOYSA-N 323.393 -0.128 30 20 DBED C=C[C@H](CO)NS(=O)(=O)N1CCC(C(=O)OCC)CC1 290188162 LRWOQQWDBWITSN-LLVKDONJSA-N 306.384 -0.357 30 20 DBED C=CCC[C@@H](CO)NS(=O)(=O)N1CCC(C(=O)O)CC1 320349713 CHOBSLLBNRFBRM-NSHDSACASA-N 306.384 -0.056 30 20 DBED C/C(O)=N/C1CN(C(=O)CN(C)[C@H]2CCS(=O)(=O)C2)C1 329894424 BHZZRQBGXZVSRG-NSHDSACASA-N 303.384 -0.708 30 20 DBED CNS(=O)(=O)c1cccc(C(=O)N2CCO[C@@H](C#N)C2)c1 330665974 WWIKRTAXNKINFP-NSHDSACASA-N 309.347 -0.041 30 20 DBED C[C@@H](C(=O)N(C)CC(=O)N1CCOC[C@H]1C#N)n1cccn1 330925045 GKLIMRYVROTMAW-NWDGAFQWSA-N 305.338 -0.347 30 20 DBED C[C@@H](O)CN1CCN(S(=O)(=O)N(C)[C@H](C)CC#N)CC1 337844339 WNNQMWNWBMZKBZ-VXGBXAGGSA-N 304.416 -0.536 30 20 DBED CCCCS(=O)(=O)NCC(=O)N(CC#N)CC(=O)OC 341065101 IQOLLULWXGEDTC-UHFFFAOYSA-N 305.356 -0.769 30 20 DBED COc1ccc(S(=O)(=O)N(CC#N)CC#N)cc1C(N)=O 350662255 STAMMBMGCPENMN-UHFFFAOYSA-N 308.319 -0.168 30 20 DBED N#CCNC(=O)CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] 352507661 CDKZDZFWJQCVPN-UHFFFAOYSA-N 312.307 -0.346 30 20 DBED C=CCCn1cc(C(=O)NCCn2cc(C(=O)OC)nn2)nn1 424816933 BCRYBRMNGLHVAJ-UHFFFAOYSA-N 319.325 -0.338 30 20 DBED C=C(C)CNC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 428108475 AQCGUJOEHHFHDL-UHFFFAOYSA-N 300.340 -0.916 30 20 DBED C[C@H]1CN(CCCNC(=O)Cn2cnc(C#N)n2)CCCO1 432547361 SIOBVLVECJWSCS-LBPRGKRZSA-N 306.370 -0.233 30 20 DBED C=C(C)CN(CC)C(=O)C(=O)N1CCN(C(C)(C)C(N)=O)CC1 459825853 VRIITZLSUMOWOO-UHFFFAOYSA-N 324.425 -0.181 30 20 DBED C#CCN(C)CCCNC(=O)c1nnn(-c2ccn(C)n2)c1C 491702066 GXJNDZNJJJHWKT-UHFFFAOYSA-N 315.381 -0.006 30 20 DBED CNCCCc1[nH][nH]c(=NC(=O)c2cnc(C)nc2N)c1C#N 536300701 STLUYRVMRMQRKG-UHFFFAOYSA-N 314.353 -0.212 30 20 DBED CC(C)(C#N)NC(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 540972720 DPVGYAJUCYBUDH-IQIPOGNMSA-N 305.334 -0.043 30 20 DBED CNS(=O)(=O)c1ccc(C)c(C(=O)NCC(=O)NCC#N)c1 561468898 YXUVQDONJWWKHH-UHFFFAOYSA-N 324.362 -0.727 30 20 DBED CN(CCC#N)C[C@@H](O)CNCCN1CCN(C)C(C)(C)C1 566124804 MYZOJOFMMRDGPV-HNNXBMFYSA-N 311.474 -0.192 30 20 DBED Cc1nc(NC(=O)C(=O)N2CCc3c(C#N)cccc32)nn1C 566203254 ZUVLKKWPEAIEET-UHFFFAOYSA-N 310.317 0.523 30 20 DBED C=CCNc1ncc(C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)s1 566984468 KDIYIBRTCUSUKI-ZJUUUORDSA-N 321.406 0.125 30 20 DBED Cc1cc(NC(=O)C(=O)NCCN2CCOCC2)ncc1C#N 578203335 OMWKTKVJIWRRGS-UHFFFAOYSA-N 317.349 -0.351 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H](CC(=O)OC)C(=O)O 579125738 GQHULHUAWANSBX-RKDXNWHRSA-N 321.355 -0.681 30 20 DBED CC#CC[C@H](CO)NC(=O)CSCC(=O)N1CCOCC1 592924258 SIUDIIWGBXUHCA-GFCCVEGCSA-N 314.407 -0.531 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1CC[C@@H](C(=O)O)C1 594680710 MSNBLNXLQKMRNB-SNVBAGLBSA-N 305.356 -0.500 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@@H]1C(=O)NCC1(C)C 595349749 DWAQFIGVNMKOPR-SNVBAGLBSA-N 318.399 -0.793 30 20 DBED COCCN(CCC#N)S(=O)(=O)N(C)C1(CO)CCC1 601426728 KSVHPRWIQQWLDS-UHFFFAOYSA-N 305.400 -0.060 30 20 DBED O=C(NCC#CCO)c1ccc(C(=O)N2CCOCC2)cc1 626928403 SZLQHWNQEYLPJI-UHFFFAOYSA-N 302.330 -0.116 30 20 DBED CC#CC[C@@H](CO)NC(=O)c1ccc(CS(N)(=O)=O)cc1 649188244 HGCBXGLNBRSHGC-ZDUSSCGKSA-N 310.375 -0.021 30 20 DBED C=CCN1CC(=O)N([C@H]2CCCN(S(C)(=O)=O)C2)C1=O 761159204 ZVMQSWJEQRSFBT-JTQLQIEISA-N 301.368 -0.139 30 20 DBED CCC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C(C)C 771898477 YMBVFXYIOFAIRI-UHFFFAOYSA-N 316.383 -0.216 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CC[C@H](C(=O)N(C)C)O1 775215498 VLZTVJZNPPFZAK-MELADBBJSA-N 307.394 -0.164 30 20 DBED C#CCOCCNC(=O)C(=O)Nc1cnn(-c2ccccn2)c1 785161003 QOSYKGGTPISRFE-UHFFFAOYSA-N 313.317 -0.028 30 20 DBED CNC(=O)CNC(=S)NN=C1CCC[C@H](S(C)(=O)=O)C1 788429212 GWKZLUQJXFULLV-VIFPVBQESA-N 320.440 -0.460 30 20 DBED C#CCCCS(=O)(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1 805055927 HJKAZFWKUUYBRM-NSHDSACASA-N 308.425 -0.305 30 20 DBED CN(C)S(=O)(=O)N(C)CCOC(=O)c1cccc(C#N)n1 810576239 BAHYYROCORXHPQ-UHFFFAOYSA-N 312.351 -0.152 30 20 DBED Cn1cnn(CCC(=O)NCCNc2ccc(C#N)cn2)c1=O 814973853 UWEVBIRSEYNSNO-UHFFFAOYSA-N 315.337 -0.533 30 20 DBED C#CCCS(=O)(=O)NC(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O 816056166 HONCTEYNEGGJFX-PHIMTYICSA-N 324.358 -0.593 30 20 DBED O=C(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)N[C@@H]1CCCN(O)C1=O 848132318 PTNJELXZIPAKPD-OUAUKWLOSA-N 321.333 -0.566 30 20 DBED C#CC[C@@H](CO)NC(=O)CCC(C)(C)C(=O)N[C@@H](CO)CC#C 854545118 AMNIQWOUHQQAJG-UONOGXRCSA-N 322.405 -0.206 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N(C)Cc1cnccn1 875598819 LMYYNPKVBGVONH-LBPRGKRZSA-N 304.350 -0.020 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@H]1CC[C@H](CN)CC1)[C@@H]1CCCO1 884552892 LEFGBPOMUHIGPM-XUXIUFHCSA-N 307.394 -0.083 30 20 DBED C=CCN(C(=O)C1=NN(C)C(=O)CC1)[C@H]1CCS(=O)(=O)C1 919989894 YEELUXGFPXIFRN-JTQLQIEISA-N 313.379 -0.204 30 20 DBED CC(C)[C@@](C)(C#N)NC(=O)CN1CCC(C(=O)NCCO)CC1 920209436 AJMYZJCGXPFQTA-MRXNPFEDSA-N 324.425 -0.139 30 20 DBED C=CCC[C@@H]1NC(=O)N(CCOCCS(C)(=O)=O)C1=O 927551752 HZRDCCDDWBVBMI-JTQLQIEISA-N 304.368 -0.066 30 20 DBED COc1cnc(C(=O)N[C@H]2CCN(C(=O)[C@@H](C)C#N)C2)nc1 938356054 MXGJGLBGMFAUPV-UWVGGRQHSA-N 303.322 -0.024 30 20 DBED C#Cc1ccc(C(=O)N2C[C@@H](NC(=O)C(N)=O)[C@H](C)C2)cn1 939692913 SYPMVVYCQXRQBL-BXKDBHETSA-N 300.318 -0.875 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)CN2CCNC(=O)C2)[C@@H](C)C1 942560846 XYHWAIASWUMFIE-KBPBESRZSA-N 308.426 -0.179 30 20 DBED C=CCN1CC[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C[C@H]1C 947369688 OPDHMOKSOUQWIN-OLZOCXBDSA-N 320.393 -0.298 30 20 DBED N#Cc1c[nH]c(C(=O)N2C[C@H]3C[C@H]2[C@@H]3NC(=O)c2cnn[nH]2)c1 947490347 RTHVOTOCCAMDQK-JFUSQASVSA-N 311.305 -0.353 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@H]2CNC(=O)c2cn(C)nn2)nc1 949746782 VUKLBRUWOOOAQG-LBPRGKRZSA-N 324.344 -0.164 30 20 DBED CN(C(=O)c1c[nH]c(C#N)c1)C1CN(C(=O)[C@@H]2CCNC2=O)C1 954105584 NKMGQZULPREMKD-GFCCVEGCSA-N 315.333 -0.695 30 20 DBED C[C@@H](C#N)C(=O)N1CC(N(C)C(=O)[C@@H]2CCCC(=O)N2C)C1 955009126 YDFWSCJEWKXRBB-JQWIXIFHSA-N 306.366 -0.174 30 20 DBED C#CCN1C[C@H](CNC(=O)c2cc3c(cn2)OCCO3)[C@@H](O)C1 958147754 BFGJCNOBQZCTEW-AAEUAGOBSA-N 317.345 -0.492 30 20 DBED CC#CCN1C[C@@H](O)[C@H](CNC(=O)c2cc(CN(C)C)on2)C1 958200234 OSOSTAADISYAGP-IUODEOHRSA-N 320.393 -0.218 30 20 DBED C=CCCN1C[C@H](O)[C@H](CNC(=O)c2cc(C(N)=O)co2)C1 958403427 FHKLSIJAKDDKDJ-NEPJUHHUSA-N 307.350 -0.023 30 20 DBED Cn1cc(CN2C[C@@H]3C(NC(=O)c4ccc(C#N)[nH]4)[C@H]3C2)nn1 958590388 QECFQEYKTGJWAN-RYUDHWBXSA-N 311.349 -0.125 30 20 DBED Cc1[nH]nc2ncc(C(=O)NC[C@@H]3CN(CC#N)C[C@H]3O)cc12 958672037 INBISBLDYCCYHM-DGCLKSJQSA-N 314.349 -0.188 30 20 DBED Cc1ccc(C(=O)N(C)[C@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)nn1 958843608 DVUNMGDQCLXNPV-ICCXJUOJSA-N 317.349 -0.412 30 20 DBED COCC(=O)N1CCO[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@@H]21 959897504 YNCXHNBFYKBSSA-QWHCGFSZSA-N 318.333 -0.415 30 20 DBED C#CCN1CCC(C(=O)N2CCO[C@@H]3CN(C(C)=O)C[C@@H]32)CC1 960497640 AMCAKJBHAOPESV-JKSUJKDBSA-N 319.405 -0.210 30 20 DBED C#CCCN1C[C@H]2[C@H](NC(=O)C3CCS(=O)(=O)CC3)[C@H]2C1 961910051 JRTOHICLZQONMT-WDNDVIMCSA-N 310.419 -0.119 30 20 DBED O=C(C[C@@H]1COC(=O)C1)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 962284769 QPVMAFFEYRHLEK-XQQFMLRXSA-N 320.345 -0.959 30 20 DBED C#CCN[C@@H]1CCN(C(=O)c2cnc3c(c2)NC(=O)CO3)C1 969218190 OWXNPVZKWSEKPK-LLVKDONJSA-N 300.318 -0.150 30 20 DBED N#Cc1c[nH]c(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@@H]3CC34CC4)C2)c1 970918465 XPYFDSLJJFOHSL-UHTWSYAYSA-N 314.345 -0.012 30 20 DBED CN(CC#N)[C@H]1CCN(C(=O)[C@@H]2CCN(C)S2(=O)=O)C1 972526404 FRLKXZXLWIVYES-QWRGUYRKSA-N 300.384 -0.923 30 20 DBED CC#CCN1C[C@@H](NC(=O)Cn2ncn(C)c2=O)C(C)(C)C1 974756773 JLSZQBTYHIJYEP-GFCCVEGCSA-N 305.382 -0.568 30 20 DBED O=C1N[C@@H](C(=O)N[C@H]2[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]32)CO1 976429644 CQXMXPBAXALJNC-XZUYRWCXSA-N 303.318 -0.919 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)c3cn(C)c(=O)cn3)[C@H]2C1 976956210 XKQMDADXDTXEMC-DNJQJEMRSA-N 315.333 -0.873 30 20 DBED C#CCN1C[C@H](NC(=O)[C@@H]2COCCN2C(C)=O)C(C)(C)C1 977608970 BRVRVJTZBUWYTN-KBPBESRZSA-N 307.394 -0.307 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H](N(C)C(=O)Cn2cnnc2O)C1 984585471 LRACAUSSRQAYOY-MNOVXSKESA-N 320.353 -0.407 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)c3nc[nH]n3)C[C@@H]2C1 986508471 GOJAKBGAROSCDL-AXFHLTTASA-N 302.338 -0.115 30 20 DBED C=C(Cl)CN1CCCN(C(=O)[C@H]2CCS(=O)(=O)N2)CC1 989688571 XUBZXWXCXOWVTL-LLVKDONJSA-N 321.830 -0.035 30 20 DBED N#CCN1CC[C@]2(NC(=O)Cn3cnc(C(N)=O)n3)CCC[C@H]12 990766578 WFICKOHVWNQMEK-IINYFYTJSA-N 317.353 -0.986 30 20 DBED C[C@H](C#N)C(=O)N1CC(NC(=O)[C@H]2CCCCS2(=O)=O)C1 993917270 KPXFPBZCZCIJCJ-MWLCHTKSSA-N 313.379 -0.560 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2CCCNC2=O)C1 994011256 LAAKMLQWJIMICS-AGIUHOORSA-N 321.377 -0.569 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN(C(=O)c2ccncn2)C1 994752092 PIQKXNJSTIFTMX-AWEZNQCLSA-N 313.361 -0.485 30 20 DBED CN1CC(=O)N(CC(=O)N2C[C@@H](NCC#N)C(C)(C)C2)C1=O 996585863 RRBXDVHNRJITKS-SNVBAGLBSA-N 307.354 -0.769 30 20 DBED CC(=O)N1CC(C(=O)N[C@@H](C)C2CN(C(=O)[C@@H](C)C#N)C2)C1 1005981414 ZZIIHLJDZBIPFU-UWVGGRQHSA-N 306.366 -0.413 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC3(CCCN(C(=O)C(N)=O)C3)C2)c1 1010602368 SDZFFWGBUQRELL-UHFFFAOYSA-N 315.333 -0.564 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)c3ccon3)C[C@H]2O)[nH]1 1023428986 KAGVMJTZEIZKBF-VXGBXAGGSA-N 315.289 -0.510 30 20 DBED CN1CC[C@H](C(=O)NC[C@@H]2CCCCN2CC#N)S1(=O)=O 1024704318 KBYOWMRVIRJFBE-NWDGAFQWSA-N 314.411 -0.485 30 20 DBED CC(C)n1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2O)nn1 1025408141 QDJSHQGWUKUKAJ-HOSYDEDBSA-N 320.353 -0.680 30 20 DBED CN(CC#N)[C@H]1CCCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 1027683311 HDHJUWSMUXVGME-WDEREUQCSA-N 300.384 -0.876 30 20 DBED C=CCn1cc(C(=O)NC2CN(CC(=O)N(C)C3CC3)C2)nn1 1031069220 NKSRJNYKCXMFLU-UHFFFAOYSA-N 318.381 -0.501 30 20 DBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CN(Cc2nnnn2C)C1 1031077133 HQIAGQBYOMZQCS-JSGCOSHPSA-N 320.397 -0.118 30 20 DBED C=CCN1CCCC[C@@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)C1 1034428799 PFOBBSYMBDUTFH-LLVKDONJSA-N 322.365 -0.436 30 20 DBED C#CCN1CCO[C@H](CNC(=O)c2ccc3nc(O)[nH]c3n2)C1 1035483002 FZSLLTHLKFOGGB-SNVBAGLBSA-N 315.333 -0.273 30 20 DBED CC(C)C#CC(=O)NC[C@@]1(O)CCN(C(=O)[C@H]2CCN(C)C2)C1 1039668602 ZRSKYGOXXBLEIG-YOEHRIQHSA-N 321.421 -0.323 30 20 DBED C#CCN1CCC2(CC1)CCN(C(=O)[C@@H]1CN(C)C(=O)N1)C2 1040798470 QUUUIMCDWXPKPG-ZDUSSCGKSA-N 304.394 -0.042 30 20 DBED N#Cc1nccc(N2C[C@@H](O)[C@H](NC(=O)c3cnns3)C2)n1 1040943012 OCIXOWWOEJQHDF-HTQZYQBOSA-N 317.334 -0.821 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(O)(CNC(=O)[C@@H](C)OCC)C1 1041627830 QRLJCPQUZFLCOR-RISCZKNCSA-N 314.382 -0.572 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)c2[nH]cnc2CC)C1 1042040266 RMQOKLGJMGQYIQ-UHFFFAOYSA-N 322.365 -0.522 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)[C@H](C)n2cncn2)C1 1042643774 CEAOPRWJSHPTCN-NSHDSACASA-N 307.354 -0.505 30 20 DBED C[C@@H]1CN(C(=O)Cc2nc[nH]n2)C[C@H]1Nc1nccnc1C#N 1043323944 KBFZNODDULEQIW-MWLCHTKSSA-N 312.337 -0.032 30 20 DBED COc1cc(C(=O)N2CC(O)(CNC(=O)[C@@H](C)C#N)C2)on1 1045541585 YDCGXVJYTQHOII-QMMMGPOBSA-N 308.294 -0.854 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2nc3ncc(C)cn3n2)C1 1047421375 HFMKJGHQVLLLNF-RYUDHWBXSA-N 314.349 -0.817 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)Cn2cnc3c2CCCC3)C1 1047461029 SSXQQTKZNSWIHQ-HOTGVXAUSA-N 316.405 -0.101 30 20 DBED COCCN1C[C@@H](C(=O)N2C[C@@H]3CN(CC#N)C[C@@H]3C2)CC1=O 1048849055 KSBVTCWFLSJZIX-MELADBBJSA-N 320.393 -0.605 30 20 DBED CNC(=O)c1cccc(C(=O)N2C[C@@H]3CN(CC#N)C[C@@H]3C2)n1 1049194769 JHMYJHTZAXFSJH-TXEJJXNPSA-N 313.361 -0.031 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)CCc2ncc[nH]2)C[C@@H]1O 1049394450 KJGXXPQAOGMHTH-WOPDTQHZSA-N 319.365 -0.468 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)CC[C@H]1NC(=O)NC1=O)C2 1050748191 KJWVKVLKCMKNRP-GFCCVEGCSA-N 318.377 -0.468 30 20 DBED C=C(C)CN1CCOC[C@@H]1CNC(=O)c1cc(=O)n(C)cn1 1050962203 GDGGNNZULXDTKZ-LBPRGKRZSA-N 306.366 -0.213 30 20 DBED C#CCCN1CCOC[C@@H]1CNC(=O)c1ccn(C)c(=O)c1 1050984763 BVTCUTZKFWEVJY-AWEZNQCLSA-N 303.362 -0.161 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)c1ccc(=O)n(CCC)n1 1051238242 ISMRTKWHRKSGSS-CYBMUJFWSA-N 318.377 -0.283 30 20 DBED C#CCN1CCN([C@@H]2CCN(C(=O)Cc3cnc[nH]3)C2)CC1 1052092083 QWDLCULQVGSGQS-OAHLLOKOSA-N 301.394 -0.196 30 20 DBED C=CCN1CC2(C1)CN(C(=O)[C@H]1CCS(=O)(=O)C1)CCO2 1053332151 OAHJCPMEEMFFGG-LBPRGKRZSA-N 314.407 -0.480 30 20 DBED C=CCCN1CC2(CC[C@@H](CNC(=O)c3nnn(C)n3)O2)C1 1053646955 ITJKXKOBQDPPPW-NSHDSACASA-N 306.370 -0.251 30 20 DBED C#CCN[C@H]1CN(C(=O)CCc2nnc(O)nc2O)C[C@H]1C 1054847235 DXPYJMPMLFVYLN-KOLCDFICSA-N 305.338 -0.715 30 20 DBED CN1C(=O)CC[C@H]1C(=O)N1CCN(c2nccnc2C#N)CC1 1055977827 APJAXDSDKSVBKE-LBPRGKRZSA-N 314.349 -0.382 30 20 DBED C[C@@H](C#N)C(=O)N[C@@]1(CO)CCCN(C(=O)c2cccnn2)C1 1056097636 SRSLTIHTDQFOPS-NHYWBVRUSA-N 317.349 -0.280 30 20 DBED C[C@@H](C#N)C(=O)N[C@@]1(CO)CCCN(C(=O)Cc2cnc[nH]2)C1 1056097848 WIXCCWDKFANHTK-NHYWBVRUSA-N 319.365 -0.418 30 20 DBED Cc1cc(C#N)nc(N2C[C@@H]3C(NC(=O)c4nc[nH]n4)[C@H]3C2)n1 1056272051 LOTXJPKTAQGRSJ-UWVGGRQHSA-N 310.321 -0.361 30 20 DBED C=CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)COCC 1056872620 NGMCXMFKHSUDNS-LBPRGKRZSA-N 302.371 -0.449 30 20 DBED N#CCSCC(=O)N(CCO)CCNC(=O)[C@@H]1CC12CC2 1057030082 JZHGWBBPWDKXOX-NSHDSACASA-N 311.407 -0.020 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)CCn1ccnc1 1057196850 YKKRUXJZVHAJGM-UHFFFAOYSA-N 324.381 -0.587 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)c1cnn(CC)n1 1057439628 UWEMQXNQGRMYHQ-UHFFFAOYSA-N 321.381 -0.348 30 20 DBED C[C@H]1CO[C@H](C(=O)NCCN(CCO)C(=O)C#CC2CC2)C1 1057533562 RNDBJSFAMZFXRY-OCCSQVGLSA-N 308.378 -0.238 30 20 DBED N#Cc1nccnc1N1CCC(NC(=O)[C@H]2CCC(=O)N2)CC1 1057846885 MGVANUYNOOHBDS-LLVKDONJSA-N 314.349 -0.288 30 20 DBED N#Cc1cnc(N2CC[C@@H](NC(=O)[C@@H]3CCNC3=O)C2)cn1 1058508274 YLRNADSEEVEODU-MWLCHTKSSA-N 300.322 -0.821 30 20 DBED CCc1cc(C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N)n[nH]1 1058652698 CLSRODAPOSOCAP-JTQLQIEISA-N 307.354 -0.318 30 20 DBED CN(C[C@H]1CCCN(C(=O)C(N)=O)C1)c1cnc(C#N)cn1 1058702168 KCLJPXNSHHOVDN-SNVBAGLBSA-N 302.338 -0.492 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)CC1=CCOCC1 1058733533 BNWCTJWMXNCPCQ-LBPRGKRZSA-N 309.366 -0.180 30 20 DBED CN1C[C@H](C(=O)N[C@H]2C[C@H](Nc3cnc(C#N)cn3)C2)NC1=O 1059364742 HFUPFJVVESILHV-FXPVBKGRSA-N 315.337 -0.569 30 20 DBED Cn1nnc(C(=O)N[C@H]2C[C@@H](Nc3ncc(C#N)cc3F)C2)n1 1059791314 VEPVSCPHFPIDSW-DTORHVGOSA-N 316.300 -0.011 30 20 DBED C=CCO[C@H](C)C(=O)N1CCOC[C@@H]1CNC(=O)COC 1061183033 YZRITSUTMIDGRM-NEPJUHHUSA-N 300.355 -0.433 30 20 DBED CN(C(=O)c1cn(C)nn1)[C@H]1CCN(c2ccc(C#N)nn2)C1 1062923819 BSBXWYZMONWUTC-NSHDSACASA-N 312.337 -0.172 30 20 DBED C=CCCC(=O)N1CCO[C@H](CNC(=O)[C@H]2COC(=O)N2)C1 1064956409 XAOYFRYKURTHOA-GHMZBOCLSA-N 311.338 -0.595 30 20 DBED C=CCOCC(=O)N[C@H]1CCCN(C(=O)c2nnn(C)n2)CC1 1065981032 KNUNTIWUNWZPRP-NSHDSACASA-N 322.369 -0.476 30 20 DBED N#Cc1cncc(N2CCOC[C@@H]2CNC(=O)c2cn[nH]c2)n1 1066466034 JHLGTOHXTXVIOQ-LBPRGKRZSA-N 313.321 -0.293 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCCN(C)C(=O)[C@@H]1CN(C)CCO1 1067078497 BHBRPRWLHPAZHR-STQMWFEESA-N 310.398 -0.216 30 20 DBED N#Cc1cnc(N2C[C@@H]3C(CNC(=O)c4nc[nH]n4)[C@H]3C2)cn1 1068180446 JQMLEHOAKHOLIC-GHMZBOCLSA-N 310.321 -0.421 30 20 DBED CCN(CC)CC(=O)N1CCOC2(C1)CN(C(=O)[C@@H](C)C#N)C2 1068399805 QECKIFBKDJIRFK-ZDUSSCGKSA-N 322.409 -0.072 30 20 DBED C=CCCC(=O)N[C@H]1COC2(C1)CN(C(=O)[C@H]1CNC(=O)N1)C2 1068757208 OUNCRMKEGCIZJB-GHMZBOCLSA-N 322.365 -0.880 30 20 DBED N#Cc1nccc(N2CC[C@@]3(NC(=O)C(N)=O)CCC[C@H]23)n1 1069283003 UUFRIASELZVRCT-XPTSAGLGSA-N 300.322 -0.549 30 20 DBED Cc1cc(C#N)nc(NC[C@@H]2CC[C@H](NC(=O)C(N)=O)C2)n1 1069501309 XGRLMBMNRFGLIJ-ZJUUUORDSA-N 302.338 -0.161 30 20 DBED N#CCN1CCn2ncc(CNC(=O)[C@@]34COC[C@@H]3C4)c2C1 1069861550 WCOARCAVEBKOGN-WFASDCNBSA-N 301.350 -0.125 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)C[C@H]2CCC(=O)N2)C1 1070050747 QHMRVKJPMVQRLH-UPJWGTAASA-N 318.381 -0.526 30 20 DBED C#CCN[C@@H]1CN(C(=O)C(=O)C(C)(C)C)C[C@@H]1n1ccnn1 1070161043 RQXRKOBYQCYGKO-NEPJUHHUSA-N 303.366 -0.132 30 20 DBED N#CCN[C@@H]1CN(C(=O)Cc2cnoc2)C[C@@H]1n1ccnn1 1070259516 TUZYXJHWIXPCOB-NEPJUHHUSA-N 301.310 -0.626 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC[C@@H](NC(=O)CN(C)C(C)=O)C1 1070727400 YKHXXRXTPQJGGZ-TZMCWYRMSA-N 323.393 -0.390 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)CN(C)C2CCC2)CC1 1070970615 NWEWNXLEGRQGCR-UHFFFAOYSA-N 320.437 -0.246 30 20 DBED N#CCN1CCNC(=O)CCN(C(=O)[C@@]2(F)CCOC2)CC1 1070991233 IWZIWYOAWDZHOW-CQSZACIVSA-N 312.345 -0.711 30 20 DBED C=CCOCC(=O)N[C@H]1CN(C(=O)c2ccc(O)nn2)C[C@H]1C 1071533141 IEBVAPHMDHQYTI-PWSUYJOCSA-N 320.349 -0.039 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CC[C@H](C)N(CC(=O)NC)C2)nn1 1071880899 UMGLJQPVJRPGRL-NWDGAFQWSA-N 320.397 -0.207 30 20 DBED C=CCCOCC(=O)N1C[C@H](C)[C@H](NC(=O)c2cnn[nH]2)C1 1072338861 IHJWFVCLGNWRDW-CMPLNLGQSA-N 307.354 -0.026 30 20 DBED C#CCOCCC(=O)N1CCC(C)(NC(=O)c2nc[nH]n2)CC1 1073027564 LSCRZGFZIVERGQ-UHFFFAOYSA-N 319.365 -0.045 30 20 DBED C#CCCN1CCCO[C@@H](CNC(=O)c2cn(C)c(=O)cn2)C1 1073703132 GFVIRDRAFDEHHM-ZDUSSCGKSA-N 318.377 -0.376 30 20 DBED CN1CCCC[C@@H](C(=O)NC[C@H]2CN(CC#N)CCCO2)C1=O 1073854145 XQOFCUIRPGRSIM-KBPBESRZSA-N 322.409 -0.024 30 20 DBED CNC(=O)NCC(=O)N1CC[C@H](NC(=O)C#CC(C)C)[C@@H](C)C1 1073938477 NFYRHPIHSBKYQZ-STQMWFEESA-N 322.409 -0.072 30 20 DBED C#CCOCCC(=O)N[C@@H](C)CCNC(=O)c1ccc(O)nn1 1075511209 VIEKTGKDUMWSEP-NSHDSACASA-N 320.349 -0.153 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)c2ccn(CCN(C)C)n2)C1 1077014162 GRDAAVBEYATJDK-HUUCEWRRSA-N 319.409 -0.757 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2cccnc2-n2cccn2)C1 1077489096 ZLBLWSFDKXEFLB-ZIAGYGMSSA-N 311.345 -0.325 30 20 DBED C[C@@H](C#N)C(=O)N1CCCO[C@H](CNCc2nnn(C)n2)C1 1078358196 LHYZWKVSDOIXPQ-WDEREUQCSA-N 307.358 -0.923 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)[C@H]1CCCN(C(=O)CC(N)=O)CC1 1078959650 MTRFPSCKYXHWRS-STQMWFEESA-N 323.393 -0.260 30 20 DBED CCN(C(=O)C1(C(N)=O)CC1)C1CN(C(=O)CSCC#N)C1 1080398261 OQUKJVKEOGFBRE-UHFFFAOYSA-N 324.406 -0.432 30 20 DBED CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)CNC(=O)C2CC2)C1 1080411967 YTSCJWCOZAEVBY-SNVBAGLBSA-N 306.366 -0.268 30 20 DBED C#CCOCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2ccoc2)C1 1081250846 HOFGYGUAUMOCCU-ZIAGYGMSSA-N 320.345 -0.131 30 20 DBED Cn1cc(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C#CC3CC3)C2)cn1 1081468537 LICUZXGNYHFJEA-GXTWGEPZSA-N 316.361 -0.617 30 20 DBED C=C(Cl)CN1C[C@@H](NC(=O)[C@@H]2COCCN2C)[C@H](OC)C1 1081560659 ISJZZGDYAHIPOM-FRRDWIJNSA-N 317.817 -0.115 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2ccnnc2)C1 1081797545 NCKYJYMAUYAFKR-CHWSQXEVSA-N 320.349 -0.772 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)C[C@H]1CCS(=O)(=O)C1 1081913218 OCLJZASUGSGMAN-IJLUTSLNSA-N 315.395 -0.850 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cnc2n1CCOC2 1083110524 HWJGCWGJWSLOSX-QWHCGFSZSA-N 317.349 -0.538 30 20 DBED Cc1nn(C)c(Cl)c1CC(=O)N[C@@H]1CN(CC#N)C[C@@H]1O 1083606166 JXRWABYOIYMHMQ-MNOVXSKESA-N 311.773 -0.391 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)Cn2nnnc2C(C)C)C1 1083845129 KMUMFSXTQNHZHC-NEPJUHHUSA-N 308.386 -0.466 30 20 DBED C=CCCN1CC[C@@H](NC(=O)c2nnc(O)nc2O)[C@@H](O)C1 1090395537 DBMNSIPJASPFJS-BDAKNGLRSA-N 309.326 -0.976 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2ncc(OC)cn2)[C@H](O)C1 1090419185 FKSWLAFAMGZUOJ-QWHCGFSZSA-N 304.350 -0.327 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2ccnc3[nH]nnc23)[C@H](O)C1 1090426861 YETFETCGWPDIGD-VXGBXAGGSA-N 314.349 -0.459 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(c2cnc(F)cn2)C[C@H]1OC 1090921866 VDICQNXAJLNWTM-IJLUTSLNSA-N 322.340 -0.026 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@@H]1O 1091091706 CKUFPXFWSHMKCT-IVMMDQJWSA-N 316.361 -0.054 30 20 DBED N#Cc1nccnc1N1C[C@H](O)[C@H](NC(=O)C2(CF)CC2)C1 1091181108 ULHDIVUALCRNBO-MNOVXSKESA-N 305.313 -0.236 30 20 DBED CC(C)[C@H]1N(C(=O)c2cnn[nH]2)C[C@]12C[C@@H](O)[C@H](NCC#N)C2 1093460227 YLDKGUMGIOWSES-OPQSFPLASA-N 318.381 -0.092 30 20 DBED N#Cc1ccc(NCCNC(=O)C2CCS(=O)(=O)CC2)nn1 1093865655 RHKLJMFXYXGRFF-UHFFFAOYSA-N 323.378 -0.299 30 20 DBED Cc1cc(C#N)nc(N(C)CCCNC(=O)c2nnn(C)n2)n1 1095698310 SUDWVWYDNWXRQF-UHFFFAOYSA-N 315.341 -0.564 30 20 DBED CCC(=O)N[C@H](C)C(=O)N1CC[C@H](N=c2cc[nH]c(C#N)n2)C1 1096980993 RXQUGBPWCITZHV-MNOVXSKESA-N 316.365 -0.302 30 20 DBED N#Cc1nc(=N[C@H]2C[C@H](NC(=O)CCc3nc[nH]n3)C2)cc[nH]1 1097016657 KHMMVRDJWKXNFP-MGCOHNPYSA-N 312.337 -0.420 30 20 DBED Cc1cc(C#N)nc(N[C@@H](C)CNC(=O)[C@@H]2COC(=O)N2)n1 1097815430 BGCHSADMDKOREE-WPRPVWTQSA-N 304.310 -0.318 30 20 DBED CC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C[C@@H]1CC(=O)NC1=O 1098528012 MACFNJFVBBGYLM-LPWJVIDDSA-N 303.362 -0.216 30 20 DBED N#CCNCc1cn([C@@H]2CCN(C(=O)c3nc[nH]n3)C2)nn1 1098751853 RQPYUDJUXGKJDL-SNVBAGLBSA-N 301.314 -0.903 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)CCSC)[C@@H](O)C1 1099655060 WMVXFIBUUMRTDY-RYUDHWBXSA-N 315.439 -0.407 30 20 DBED C=CCCN1CC[C@H](NC(=O)CCNS(C)(=O)=O)[C@@H](O)C1 1099860490 CQCSAFYECVDQQS-RYUDHWBXSA-N 319.427 -0.947 30 20 DBED C#CCN1CC[C@@H](NC(=O)C(C)(C)CN2CCOCC2)[C@H](O)C1 1099892791 PPOKHJZFJYTBDB-HUUCEWRRSA-N 323.437 -0.471 30 20 DBED CC#CCN1CC[C@H](NC(=O)CCc2cncnc2)[C@@H](O)C1 1099916242 KTHYMTLDGJYMOZ-GJZGRUSLSA-N 302.378 -0.016 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)C2(CF)CC2)[C@@H](O)C1 1100000769 KUEZPRPCCIULEU-RYUDHWBXSA-N 311.357 -0.963 30 20 DBED Cc1cc(C#N)nc(N(C)CCNC(=O)[C@@H]2CC[C@@H]2C(N)=O)n1 1100269457 ZGSJVBSPVGERET-NWDGAFQWSA-N 316.365 -0.279 30 20 DBED C#CCCN1CC[C@@H](Oc2ccnc(CNC(=O)C(N)=O)c2)C1 1101097032 HMDCSLNAXNTEAF-CQSZACIVSA-N 316.361 -0.341 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@]2(C)C1 1101173074 IVGOCUHDCWKKEZ-IOASZLSFSA-N 302.378 -0.324 30 20 DBED C[C@@H](C#N)C(=O)NCCN(c1nccn2nnnc12)C1CC1 1101319835 IVTJLPLBVZQPAI-VIFPVBQESA-N 300.326 -0.236 30 20 DBED C#CCN1C[C@@H](C)[C@H](CNC(=O)[C@H](C)CS(C)(=O)=O)C1 1102603314 ZMNOAEYMFBFKIH-JHJVBQTASA-N 300.424 -0.016 30 20 DBED C=CCNC(=O)[C@@H](C)NCc1cn(C2CN(C(=O)CC)C2)nn1 1105125368 KNJVIHSQNOFYIL-LLVKDONJSA-N 320.397 -0.148 30 20 DBED Cc1ccc(C(=O)N2CC(n3cc(CNCC#N)nn3)C2)nn1 1105235924 ZXCPJFCBBDNLEF-UHFFFAOYSA-N 312.337 -0.313 30 20 DBED Cc1c[nH]c(C(=O)N2CC(n3cc(CNCC#N)nn3)C2)n1 1105340574 GEKAWIMJMMXASR-UHFFFAOYSA-N 300.326 -0.380 30 20 DBED C#CCCNCc1cn(C2CN(C(=O)c3cnn(C)n3)C2)nn1 1105344016 HQZIGWXABNALPI-UHFFFAOYSA-N 314.353 -0.783 30 20 DBED C=CCNCc1cn(C2CN(C(=O)Cn3ccnc3)C2)nn1 1105382289 DZLMJXQBSGZXDN-UHFFFAOYSA-N 301.354 -0.166 30 20 DBED Cc1cc(=NC[C@@H](O)CNC(=O)CN(C)C(C)C)c(C#N)c[nH]1 1105869247 ODULZPRSOZTANA-CQSZACIVSA-N 319.409 -0.087 30 20 DBED CO[C@H](C(=O)NC[C@@H](O)CNc1ccc(C#N)nn1)C(C)C 1106092468 GIMQOMJHVCGHQE-AAEUAGOBSA-N 307.354 -0.092 30 20 DBED C[C@@H](CCN=c1cc[nH]cc1C#N)NC(=O)C1CS(=O)(=O)C1 1106458946 LUYKQJUFLNQDRZ-JTQLQIEISA-N 322.390 -0.274 30 20 DBED C=CCNC[C@@H]1CN(C(=O)c2cn(C)c(=O)n(C)c2=O)C[C@H]1C 1106722353 VUIDFKYHXDJYHI-VXGBXAGGSA-N 320.393 -0.432 30 20 DBED C=CCOCC(=O)NCc1cn(C2CN(C[C@@H](C)OC)C2)nn1 1107146781 QPOGJYVOVUMRFJ-GFCCVEGCSA-N 323.397 -0.012 30 20 DBED N#Cc1ccc(NC/C=C\CNC(=O)C2CS(=O)(=O)C2)nn1 1107358836 NSJHCRKNUVNLON-UPHRSURJSA-N 321.362 -0.523 30 20 DBED Cc1cc(C#N)nc(NC/C=C\CNC(=O)c2nnn(C)n2)n1 1107450309 DMSGDZSJSYJPAD-ARJAWSKDSA-N 313.325 -0.422 30 20 DBED N#Cc1cncc(NC/C=C\CNC(=O)[C@@H]2CNC(=O)N2)n1 1107493025 XHYZXRCZODKASI-SYBPUXJVSA-N 301.310 -0.886 30 20 DBED C[C@]1(CNC(=O)[C@@H]2CCCCC(=O)N2)CN(CC#N)CCO1 1108207376 PGIMVOZYYJBPKH-WFASDCNBSA-N 308.382 -0.224 30 20 DBED C[C@@H](CNc1ncccc1C#N)NC(=O)CN1CC(=O)NC1=O 1108483271 YNSQEFGDVWIVOA-VIFPVBQESA-N 316.321 -0.578 30 20 DBED C[C@H](CN(C)c1ccnc(C#N)n1)NC(=O)[C@@H]1COCCO1 1108829919 XSSGTUJFBXCWAR-MNOVXSKESA-N 305.338 -0.295 30 20 DBED C[C@@H](CN(C)c1ccc(C#N)nn1)NC(=O)c1ncn(C)n1 1108933855 XJVICXLTOGJOPQ-VIFPVBQESA-N 300.326 -0.269 30 20 DBED Cc1cc(=NC2(CNC(=O)[C@H]3COC(=O)N3)CC2)c(C#N)c[nH]1 1110121621 HYXDOXDGJPYTSB-GFCCVEGCSA-N 315.333 -0.147 30 20 DBED CN(C)CCC(=O)N(C)[C@H]1CN(c2ccc(C#N)nc2)C[C@@H]1O 1111197843 UKJZXLMUCJVDMS-GJZGRUSLSA-N 317.393 -0.087 30 20 DBED N#Cc1ccc(NCCN(CCO)C(=O)[C@@H]2COC(=O)N2)nc1 1111460188 RKTTXKFZMCSTOM-NSHDSACASA-N 319.321 -0.706 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CCN(c2nccnc2C#N)[C@H](C)C1 1112469428 LCARHJOHKRHMSG-GHMZBOCLSA-N 316.365 -0.042 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CCN(c2ccc(C#N)nn2)[C@@H](C)C1 1112470715 YYQBPHMSVBXZJF-WDEREUQCSA-N 316.365 -0.042 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(c2nccnc2F)C[C@H]1O 1112719956 FXECJSDAZIBMCE-VXGBXAGGSA-N 304.325 -0.058 30 20 DBED C#CCCCC(=O)N1CCN(CCCN2C(=O)CNC2=O)CC1 1112809809 RSPJWDLXTUPCES-UHFFFAOYSA-N 320.393 -0.124 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)C2CCC(O)CC2)CC1 1112812306 VGTVZTAPTZGJMK-UHFFFAOYSA-N 308.382 -0.679 30 20 DBED C[C@@H](N=c1cc[nH]c(C#N)n1)[C@@H](C)NC(=O)c1cnn(C)c1N 1112980982 KSHSMKOXWVEPLW-RKDXNWHRSA-N 314.353 -0.295 30 20 DBED COCC#CCN1CCN(C(=O)C[C@H]2CCN(C)C2=O)CC1 1112994927 LJPZZTGZPHCOQN-CQSZACIVSA-N 307.394 -0.351 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(CC(=O)NC(=O)NC)CC1 1113359472 BILZAWKHAZEUMY-NEPJUHHUSA-N 324.381 -0.823 30 20 DBED COCCCNC(=O)CN1C[C@H]2C(NC(=O)[C@@H](C)C#N)[C@@H]2C1 1114067892 YCIAFMNDUXTWJI-QJPTWQEYSA-N 308.382 -0.655 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1[C@@H]2CN(Cc3ccon3)C[C@@H]21 1114157392 DTABDXNRQUTOJY-JYAVWHMHSA-N 302.334 -0.640 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3ncccc3O)[C@H]2C1 1114164644 WLZLSCZMEWJVIU-YABSGUDNSA-N 314.345 -0.803 30 20 DBED CC[C@H](C(=O)NC1[C@H]2CN(CC(=O)NCC#N)C[C@H]12)N(C)C 1114461006 LGCIIYBINDMIAD-SDDRHHMPSA-N 307.398 -0.987 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H]1[C@@H]2CN(c3ncccn3)C[C@H]12 1114533868 WAOBRRWLBZPFJY-XYYAHUGASA-N 313.361 -0.586 30 20 DBED N#Cc1nccc(N2C[C@H]3[C@H](CNC(=O)Cn4nccn4)[C@H]3C2)n1 1114580768 SWBFZOIUICVBRN-CNDDSTCGSA-N 324.348 -0.562 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)[C@H]3CC[C@@H](C)O3)[C@@H]2C1 1114858781 HZLHHYWUAAFSCR-FDYHWXHSSA-N 305.378 -0.650 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)c3ccnnc3)[C@@H]2C1 1114875446 LRVXOGKULCOGSR-VXGBXAGGSA-N 301.350 -0.561 30 20 DBED C[C@@H](C#N)C(=O)NCCOCCN(C)c1nccn2nnnc12 1115186768 BMWAXAUBJFYXED-JTQLQIEISA-N 318.341 -0.752 30 20 DBED C#CCN(C(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1)C(C)C 1119685466 AYVHDSCRGMUUOP-UONOGXRCSA-N 307.394 -0.164 30 20 DBED Cc1noc2ncnc(N[C@H](CO)CNC(=O)[C@H](C)C#N)c12 1121213220 OEZRBGCKIZPNCZ-APPZFPTMSA-N 304.310 -0.025 30 20 DBED Cc1cc(CC(=O)NC[C@@H](CO)Nc2cncc(C#N)n2)no1 1121229169 SJGZHVTYBWHXRZ-LBPRGKRZSA-N 316.321 -0.224 30 20 DBED Cn1oc(C(=O)NC[C@@H](CO)Nc2ccc(C#N)cn2)cc1=O 1121366886 YLMYKKATNUBQMW-JTQLQIEISA-N 317.305 -0.552 30 20 DBED C=CCn1c(C[C@@H](C)O)nnc1N1CCN2C(=O)NC[C@H]2C1 1121527003 JSYRBPLJDCXLOQ-MNOVXSKESA-N 306.370 -0.399 30 20 DBED C=CCO[C@H](C)C(=O)NC[C@H](CO)Nc1cnc(C#N)cn1 1121749026 KKOBJNJMNGWEHP-ZYHUDNBSSA-N 305.338 -0.172 30 20 DBED CC(C)[C@@H](C(=O)NC[C@@H](CO)Nc1ccc(C#N)nn1)N(C)C 1121840315 RIPCWVLDSPGGHD-JSGCOSHPSA-N 320.397 -0.177 30 20 DBED CCn1cc(C(=O)NC[C@H](CO)Nc2cnc(C#N)cn2)nn1 1121928810 PNGVEVHDGIRGGZ-SNVBAGLBSA-N 316.325 -0.838 30 20 DBED N#Cc1nccnc1N[C@H](CO)CNC(=O)[C@@]12COC[C@@H]1C2 1122761306 PYYLWPQTYVVNIE-BHDSKKPTSA-N 303.322 -0.726 30 20 DBED Cc1cc(NC(=O)CNCCNC(=O)CSCC#N)no1 1123791935 AABMCQYAWICNBM-UHFFFAOYSA-N 311.367 -0.116 30 20 DBED CNC(=O)CC(=O)N(C)C[C@@H](O)CN=c1cc(C)[nH]cc1C#N 1124256430 KHBZNHZZESIZLM-LBPRGKRZSA-N 319.365 -0.949 30 20 DBED CCNC(=O)CC(=O)N(C)C[C@H](O)CNc1ccc(C#N)nc1 1124315379 TUPPHVGLCIPUEO-CYBMUJFWSA-N 319.365 -0.289 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)c1ccns1 1124540214 WDGIERCUKUHDHN-VIFPVBQESA-N 318.362 -0.228 30 20 DBED CN(C[C@H](O)CNc1ncccc1C#N)C(=O)[C@H]1CCNC1=O 1124693939 KIDREHSUOJWEER-NEPJUHHUSA-N 317.349 -0.679 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCNCc1nnnn1C(C)(C)C 1126364763 BNAQKSVJCRJRJA-CQSZACIVSA-N 310.402 -0.039 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)c2cnnn2CC)C1=O 1126721992 TVBKETFOAHCXPU-LLVKDONJSA-N 306.370 -0.596 30 20 DBED C#CCOCCC(=O)N1C[C@@H](C)O[C@@]2(CCN(CCO)C2)C1 1131662892 ZEZVWFXQUXTKLM-GDBMZVCRSA-N 310.394 -0.290 30 20 DBED C=C(C)CN(CC)C(=O)CNCCNC(=O)[C@@]1(C)CNC(=O)C1 1131684488 HRTCARSYUGIAQK-MRXNPFEDSA-N 324.425 -0.357 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)[C@]2(C)CNC(=O)C2)C1=O 1131690063 QALGPNIHMSZDHL-NHYWBVRUSA-N 308.382 -0.995 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)[C@@H]2CCNC(=O)CC2)C1=O 1131844471 IPJNNHUGXGWPDP-QWHCGFSZSA-N 322.409 -0.605 30 20 DBED C#CCOCCC(=O)N[C@@H]1CC[C@H](C)N(CC(=O)NCC#N)C1 1132041773 KJQXMVWMMKOYRE-UONOGXRCSA-N 320.393 -0.365 30 20 DBED C#CCN1C[C@H](NC(=O)CN(C)S(C)(=O)=O)CC[C@H]1C 1132079280 WIXBWZCGYBPTFN-VXGBXAGGSA-N 301.412 -0.520 30 20 DBED Cc1c[nH]c(C(=O)N[C@@H]2CC[C@@H](C)N(CC(=O)NCC#N)C2)n1 1132348377 LNNMNZOTYLTLKN-VXGBXAGGSA-N 318.381 -0.059 30 20 DBED C[C@@H](C(=O)NCCNCC(=O)NCC#N)N(C)CC(F)(F)F 1132791059 QIZYDHRMWXAHOV-VIFPVBQESA-N 323.319 -0.785 30 20 DBED C[C@H]1CCN(C(=O)CN2CC(=O)NC2=O)C[C@@H]1CNCC#N 1133185613 GJQZMRPESFDZIZ-QWRGUYRKSA-N 307.354 -0.864 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCCNCC(=O)Nc1cnccn1 1134061858 GVFUIKQJPLHYND-NEPJUHHUSA-N 319.365 -0.288 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)C[C@@H](C)NCc1nc(C)no1 1134131610 YZJIFKITBLUFPD-GHMZBOCLSA-N 321.381 -0.110 30 20 DBED Cc1nc[nH]c1CC(=O)N[C@@H](C)C[C@H](C)NCC(=O)NCC#N 1136031808 QOFBSFZTFUNRMH-QWRGUYRKSA-N 320.397 -0.227 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC2(CCN(CCO)C2)C1 1148396011 HDYHDGPNVSRTRK-CQSZACIVSA-N 309.410 -0.016 30 20 DBED C=CCCC(=O)NC[C@H]1CN(Cc2nc(=O)n(C)[nH]2)CCCO1 1149331532 VOVINYASSJLERZ-LBPRGKRZSA-N 323.397 -0.218 30 20 DBED C#CCCN1CCCO[C@@H](CNC(=O)CCNC(=O)NC)C1 1149682315 VQKLSTJYNZUSSX-ZDUSSCGKSA-N 310.398 -0.464 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)COCC1CC1 1152054860 YOIPUPHASCUSGQ-GFCCVEGCSA-N 310.398 -0.121 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H](C)OCCOCC 1152215949 QDEQYHAZZGSUEZ-CHWSQXEVSA-N 315.414 -0.176 30 20 DBED C#CCN1CCC(C(=O)NCCNCCn2cncn2)CC1 1152330580 RSVGYFKWRDSTAU-UHFFFAOYSA-N 304.398 -0.671 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)c1[nH]cnc1C 1153831747 LAPFKSIBWDMUGZ-SNVBAGLBSA-N 322.369 -0.562 30 20 DBED C=CCNC(=O)NC(=O)CNCCCNC(=O)C(C)(C)F 1154101475 OWZHTSXOBAKCEO-UHFFFAOYSA-N 302.350 -0.158 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)c1ccnc(C)n1 1156950017 VLHYABPZDSZEOV-LLVKDONJSA-N 318.381 -0.135 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)C[C@H]2CCNC2=O)C1=O 1159798671 CRIUKZGCHILBMY-CHWSQXEVSA-N 322.409 -0.605 30 20 DBED COCC1(CNC(=O)[C@@H]2COCCN2C)CCN(CC#N)CC1 1162219099 OMDSXSOMPKDQCJ-AWEZNQCLSA-N 324.425 -0.315 30 20 DBED C[C@H](C#N)C(=O)NCCC1(CNCCNS(C)(=O)=O)CC1 1163842199 VVLPAYJOSLSGNR-LLVKDONJSA-N 316.427 -0.429 30 20 DBED CC#CCNCC1(CCNC(=O)CCn2ncn(C)c2=O)CC1 1166365762 SDVRSCJRFABMHP-UHFFFAOYSA-N 319.409 -0.129 30 20 DBED C[C@H](C[C@@H]1CCCO1)C(=O)NCCCNCC(=O)NCC#N 1177229630 KWKANWCRNALMJJ-OLZOCXBDSA-N 310.398 -0.073 30 20 DBED C=CCCN[C@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)[C@H]1C 1180211313 CQFSVZLRSNPCTJ-QWRGUYRKSA-N 306.370 -0.468 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)[C@@]2(C)CCC(=O)NC2)C1 1185077446 CWXZNYARVFJIQR-CJNGLKHVSA-N 307.394 -0.257 30 20 DBED C[C@H]1CN(C(=O)CS(=O)(=O)N(C)C)CC[C@@H]1CNCC#N 1185603558 FEQQRBUFMWCQHD-NWDGAFQWSA-N 316.427 -0.524 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(CCn2cccn2)C[C@H]1O 1192844511 WOWWWHPVSMVFMP-BFHYXJOUSA-N 306.366 -0.917 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN([C@@H](C)c2n[nH]c(C)n2)C[C@H]1O 1192890981 FLMJRZBGTMDDDX-CYZMBNFOSA-N 321.381 -0.625 30 20 DBED C[C@H](C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1O)C1CCC1 1194023566 LCGNHBQPDGKUGG-CYZMBNFOSA-N 308.382 -0.776 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@@H]1CCN(C(=O)c2nonc2C)C1 1194482898 BYNSQHNLZNGQSA-NWDGAFQWSA-N 319.365 -0.338 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)CNC(=O)Cc2ccccc2)C1 1198400328 LRRSYVYTDXOZEZ-HUUCEWRRSA-N 315.373 -0.860 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)Cc2ccnn2C)CC1 1200283025 HCFNAPUXDUDDET-UHFFFAOYSA-N 317.393 -0.707 30 20 DBED C#CCNC[C@H]1CN(C(=O)[C@@H]2CCCN2C(C)=O)CCCO1 1201891743 PXYYBCQLDYPCMJ-GJZGRUSLSA-N 307.394 -0.162 30 20 DBED C=CCn1cc(C(=O)N2CCC(N[C@@H](C)C(=O)NC)CC2)nn1 1202826855 MMXANTUAOYGULZ-NSHDSACASA-N 320.397 -0.207 30 20 DBED C#CCN[C@H]1C[C@H](NC(=O)CN(C)S(C)(=O)=O)C12CCC2 1202995593 ODSBVDLOGJFIJK-RYUDHWBXSA-N 313.423 -0.472 30 20 DBED C#CCN[C@H]1C[C@H]2CC[C@H]1N(C(=O)CCCS(N)(=O)=O)C2 1204677090 VNLYHFUYUZJUTQ-FRRDWIJNSA-N 313.423 -0.343 30 20 DBED N#CCNC(=O)CNCC1CCN(C(=O)CN2CCCC2)CC1 1206928857 LJSBNYCPNVPVIG-UHFFFAOYSA-N 321.425 -0.450 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCN(C(=O)Cc2ccon2)C1 1207721865 JFYPHCWYDJHHPZ-GFCCVEGCSA-N 305.338 -0.563 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](NCc2cncn2C)[C@H](C)C1 1214471986 GQWWUAYVSVDYQH-TZMCWYRMSA-N 317.393 -0.504 30 20 DBED CCc1oncc1C(=O)N1C[C@@H](NCC(=O)NCC#N)[C@H](C)C1 1215718686 FIVMQHPAXGSJAP-ZYHUDNBSSA-N 319.365 -0.073 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CCCC(N)=O)C[C@H]1C 1217015895 FFBIALDWHFHVET-JHJVBQTASA-N 322.409 -0.784 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H]2[C@@H](C1)OCCN2C(=O)COC 1217145265 FQMWMPUGYRZPMH-FRRDWIJNSA-N 311.382 -0.765 30 20 DBED C=C(C)CCC(=O)N1CCO[C@@H]2CN(CC(=O)NC(N)=O)C[C@@H]21 1218038275 XDTINQYQSOMCJG-NWDGAFQWSA-N 324.381 -0.551 30 20 DBED C[C@@H](NC(=O)c1ccccc1)C(=O)N[C@@H]1CN(CC#N)C[C@@H]1O 1220912668 OKGRYXJLFKAJQN-BNOWGMLFSA-N 316.361 -0.510 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)[C@H]2C[C@H]2OCC)CC1 1222455488 RTGMNUXNHSRKAA-LSDHHAIUSA-N 321.421 -0.011 30 20 DBED C[C@H](C#N)C(=O)NCC1CCN(Cc2nc(=O)n(C)[nH]2)CC1 1222636896 SNMHJUCXZMWPQC-SNVBAGLBSA-N 306.370 -0.404 30 20 DBED C#CCO[C@H](C)C(=O)NCC1CCN(Cc2nnnn2C)CC1 1223174981 RKYXZTJZZBIGJH-GFCCVEGCSA-N 320.397 -0.423 30 20 DBED COCC#CCN1CCC(NC(=O)CCc2cnn[nH]2)CC1 1229290503 ZEVLENLTWIEBEX-UHFFFAOYSA-N 305.382 -0.032 30 20 DBED Cc1cc(NC(=O)C(=O)N2CCO[C@H](C#N)C2)nn1CCC#N 1253948233 BYCGLCJWWNVRAH-LLVKDONJSA-N 316.321 -0.205 30 20 DBED C=CCN(C(=O)C(=O)NC[C@@H]1COCCO1)[C@H](C)COC 1261687582 PUCUQZQQXJTECG-VXGBXAGGSA-N 300.355 -0.433 30 20 DBED COC(=O)CN(CC#N)C(=O)c1cnc2sccn2c1=O 1318755009 PJBRUXOFOIPFDB-UHFFFAOYSA-N 306.303 -0.105 30 20 DBED C#CCSCCNC(=O)C(=O)N(CCO)C1CCOCC1 1323355809 KFXZEPCURMZWEI-UHFFFAOYSA-N 314.407 -0.531 30 20 DBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@@H](COC)OC 1324425867 XJYYARXWOHGCMO-AVGNSLFASA-N 314.382 -0.139 30 20 DBED COCCNCCCNC(=O)C(=O)Nc1ccc(C#N)cn1 1324513837 NREPZJYVMFRNJG-UHFFFAOYSA-N 305.338 -0.366 30 20 DBED C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@](O)(CC#N)C2)CN1C1CC1 1326423585 LDFRCXKXVXBWGF-XHBSWPGZSA-N 320.393 -0.395 30 20 DBED N#CC1(NC(=O)CN2CCC(S(N)(=O)=O)CC2)CCC1 1326539468 KNRWLGQTLREINA-UHFFFAOYSA-N 300.384 -0.698 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N[C@H](COC)[C@H]1CCCO1 1327299534 LCMGUQMKAAQIDF-ZIAGYGMSSA-N 306.362 -0.218 30 20 DBED C=CC[C@H](CC)NC(=O)C(=O)NCc1nc(O)cc(CN)n1 1329822255 NATMDLPFARXSMM-VIFPVBQESA-N 307.354 -0.272 30 20 DBED C[C@]1(O)CCCN(C(=O)C(=O)N2CCN(CCC#N)CC2)CC1 1329842624 GFAOSEBENPVHHM-INIZCTEOSA-N 322.409 -0.192 30 20 DBED C=C(C)CN(C)C(=O)C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 1331309073 JAFKXHLJPKCBJL-SNVBAGLBSA-N 303.384 -0.829 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CCCOC[C@H]2C)nn1 1332058508 UCWVLPMRPMZKHB-LLVKDONJSA-N 307.354 -0.282 30 20 DBED C#CCN1CCC[C@@H](NC(=O)C(=O)Nc2cc(OC)ncn2)C1 1333584243 LYKWFENSCMSPHK-LLVKDONJSA-N 317.349 -0.363 30 20 DBED CNC(=O)C1CCC(NC(=O)C(=O)N2CCO[C@H](C#N)C2)CC1 1341028997 KHYXCTRYDDAVQJ-HTAVTVPLSA-N 322.365 -0.842 30 20 DBED C#CC1CCN(C(=O)C(=O)N2CC[C@@H]3NC(=O)OC[C@H]3C2)CC1 1345981975 XAOJWZIVFANPHH-OLZOCXBDSA-N 319.361 -0.185 30 20 DBED C=CCN(C(=O)C(=O)NC[C@@]1(OC)CCOC1)[C@H](C)COC 1350842126 AKXSFYAWRFWDLL-DOMZBBRYSA-N 314.382 -0.042 30 20 DBED CN(C)C(=O)[C@H]1CCN(C(=O)C(=O)N2CCC[C@@H](C#N)C2)C1 1353072471 IPFXBPHIVXKXMT-RYUDHWBXSA-N 306.366 -0.315 30 20 DBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)Cc1nc[nH]n1 1362469842 VGAILNRTLSMRRF-JTQLQIEISA-N 312.337 -0.254 30 20 DBED CNS(=O)(=O)N1CCN(C(=O)Nc2ccc(C#N)cn2)CC1 1365068839 WTSOBNAJQDFOJG-UHFFFAOYSA-N 324.366 -0.433 30 20 DBED N#Cc1ccc(CN2CC(CNC(=O)Cn3cnnn3)C2)s1 1373495373 HKBGJBVONCLLJU-UHFFFAOYSA-N 317.378 -0.146 30 20 DBED COc1ccc(C(=O)N(C)C[C@@H](O)CNC(=O)[C@H](C)C#N)nn1 1405659784 WZTPBKSWDXVQGA-ZJUUUORDSA-N 321.337 -0.806 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1nn(C)cc1Cl 1410115362 ATLOUZABNXPDQK-YUMQZZPRSA-N 313.745 -0.560 30 20 DBED CN1CCN(CCNC(=O)CNc2ccc(C#N)cn2)CC1 1411616390 GYINWCANXKYNHP-UHFFFAOYSA-N 302.382 -0.271 30 20 DBED N#Cc1c(NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)nc2n1CCS2 1411959575 LPIUCOQYGHFFJG-JGVFFNPUSA-N 307.335 -0.168 30 20 DBED C[C@]1(NC(=O)Cn2cc(C#N)c(O)nc2=O)CCO[C@H]1C1CC1 1412016193 DNBANLFDPBOGQR-WFASDCNBSA-N 318.333 -0.106 30 20 DBED Cc1cn2nnc(C(=O)N3CC[C@@](O)(CC#N)C3)c2c(O)n1 1412279451 ZRTMYCLJTMWYPD-ZDUSSCGKSA-N 302.294 -0.371 30 20 DBED Cc1nccc(CCC(=O)NC[C@@H](O)CNC(=O)[C@H](C)C#N)n1 1416778823 PGDBGZFHJDRUIP-ZWNOBZJWSA-N 319.365 -0.529 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](C)NC(=O)c1cnn2c(=O)cc[nH]c12 1416814847 YNBCHBLKMBQKNK-DTWKUNHWSA-N 316.321 -0.583 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H](O)CNCc2csnn2)c1 1422282018 FFLNBRCRPVIZDG-SNVBAGLBSA-N 306.351 -0.382 30 20 DBED COC(=O)NCC(=O)NCCN(C)C(=O)c1c[nH]c(C#N)c1 1429176739 QSXOBRJETWBNEG-UHFFFAOYSA-N 307.310 -0.569 30 20 DBED CCN(CCNC(=O)[C@@H]1CCCN1C(N)=O)C(=O)[C@H](C)C#N 1429631046 FOPVZKGDUBDSNF-MNOVXSKESA-N 309.370 -0.346 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H](CNC(=O)Cn2cncn2)C1 1430304797 RMZXWGFVHBEQQU-VXGBXAGGSA-N 304.354 -0.207 30 20 DBED Cc1c(C(=O)NCCN(C)C(=O)c2cc(C#N)c[nH]2)nnn1C 1431183898 RIRXMRUCXTZTAM-UHFFFAOYSA-N 315.337 -0.175 30 20 DBED N#Cc1ccc(C(=O)N2CC(NC(=O)CCc3nc[nH]n3)C2)[nH]1 1432206877 MNSSBIHGBRQQSV-UHFFFAOYSA-N 313.321 -0.422 30 20 DBED CCn1cnnc1NC(=O)CCn1cc(C#N)c(O)nc1=O 1433979655 MWBALBBAQHJUGP-UHFFFAOYSA-N 303.282 -0.539 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)CCc2ccn(C)n2)C1 1452747753 UDTQBJZXUFESPD-RTXFEEFZSA-N 319.365 -0.800 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]1CNC(=O)CN1CCCNC1=O 1453186155 BVBSVHNNKGAXEI-MNOVXSKESA-N 307.354 -0.722 30 20 DBED Cc1ncoc1C(=O)NC[C@@]1(O)CCN(C(=O)[C@H](C)C#N)C1 1454077178 QBISTRHEWIGYNA-OTYXRUKQSA-N 306.322 -0.164 30 20 DBED CN(CCC#N)S(=O)(=O)N1CCC(S(C)(=O)=O)CC1 1463267688 HCQFMBWWLHPEPO-UHFFFAOYSA-N 309.413 -0.414 30 20 DBED CCC(CC)(CO)C(=O)NCCn1cc(C#N)c(O)nc1=O 1470361237 PSRYGRLWSXADAE-UHFFFAOYSA-N 308.338 -0.265 30 20 DBED CCCN(CCNC(=O)CCS(C)(=O)=O)C(=O)[C@@H](C)C#N 1497284237 ATQFAJQSUMQZDE-NSHDSACASA-N 317.411 -0.064 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@@H](O)CNC(=O)C[C@@H]2CCOC2)c1 1533213278 BKWOQGRGODXTOI-JQWIXIFHSA-N 320.349 -0.480 30 20 DBED N#C[C@@H]1CNCC12CC(C(=O)NCCCN1C(=O)CNC1=O)C2 1580042958 FQRAMYSRYZQQMJ-LOIXOFCESA-N 319.365 -0.816 30 20 DBED N#Cc1ccc(OCC(=O)N2CC(=O)NCC23CNC3)cc1 1580071603 QDHZHLOUBDNWCE-UHFFFAOYSA-N 300.318 -0.763 30 20 DBED C=CCS(=O)(=O)CCNS(=O)(=O)CC1(C(=O)O)CC1 1588878885 MSXVEJFHYKLBRG-UHFFFAOYSA-N 311.381 -0.629 30 20 DBED C#Cc1ccc(S(=O)(=O)NCCC(=O)NCCC(=O)O)cc1 1602742070 CCIDWWUSIHEGEB-UHFFFAOYSA-N 324.358 -0.073 30 20 DBED C=CCN1CC[C@H](N(C)c2cnc(-c3nn[nH]n3)cn2)C1=O 1602863434 WOHPGOMNNVODSZ-JTQLQIEISA-N 300.326 -0.120 30 20 DBED CN(C)C[C@](C)(C#N)NC(=O)c1ccc(-c2nn[nH]n2)nc1 1604677629 OVTULIYKSAWFOL-ZDUSSCGKSA-N 300.326 -0.165 30 20 DBED CN(C)C[C@]1(O)CCN(c2cnc(-c3nn[nH]n3)c(C#N)n2)C1 1604679656 GNGKJLZGQAOPDC-CYBMUJFWSA-N 315.341 -0.969 30 20 DBED COCCOC[C@H](C)Nc1cnc(C#N)c(-c2nn[nH]n2)n1 1605109092 CEGIBUCQHHZCBL-QMMMGPOBSA-N 304.314 -0.008 30 20 DBED N#CCCn1ccc(NC(=O)C(=O)NC2(CC(=O)O)CC2)n1 1608184183 VVPPHXQMLZTAQD-UHFFFAOYSA-N 305.294 -0.141 30 20 DBED CN(CCC#N)S(=O)(=O)N1CCC[C@@H](S(C)(=O)=O)CC1 1645759101 HOJQTRMEKNQQMO-LLVKDONJSA-N 323.440 -0.024 30 20 DBED C=CCNC(=O)CNC[C@@H]1CCCCN1C(=O)Cc1nc[nH]n1 1714138373 KJTVLRBXCNNNHD-LBPRGKRZSA-N 320.397 -0.380 30 20 DBED CC(C)C#CC(=O)NCCN1CCN(Cc2cn(C)nn2)CC1 1752364729 CBNNGCRTIGYFRR-UHFFFAOYSA-N 318.425 -0.292 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@H](C)CNC(=O)c1cnc(O)n1C 1752891879 RVSCWNOGKFFVFZ-NXEZZACHSA-N 309.370 -0.476 30 20 DBED N#CCNC(=O)CN1CCC[C@@H]1CNC(=O)c1ncccn1 1753113187 HFRVKHCIHULTCL-LLVKDONJSA-N 302.338 -0.689 30 20 DBED N#CCNC(=O)CN1CC(CNC(=O)CC2CCOCC2)C1 1753398614 LLEWHLIVYJYKRG-UHFFFAOYSA-N 308.382 -0.509 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC(CNC(=O)[C@@H]2CCC(=O)N2)C1 1753413686 LNJBVCFAKWPSBB-PWSUYJOCSA-N 308.382 -0.996 30 20 DBED C=CCCCN1CC(CNC(=O)CC[C@H]2NC(=O)NC2=O)C1 1753415373 YIQJDIOOFQKBCD-GFCCVEGCSA-N 308.382 -0.011 30 20 DBED C#CCCNCC1(NC(=O)Cn2c(O)nnc2O)CCCC1 1753509680 AELHHASFUBEJKL-UHFFFAOYSA-N 307.354 -0.269 30 20 DBED C=C(C)CN(CC)C(=O)CNC[C@@](C)(NC(=O)C(N)=O)C1CC1 1753523613 NLRXDXKQYNJWHH-MRXNPFEDSA-N 324.425 -0.229 30 20 DBED C#CCNC(=O)[C@H](C)N(C)CCN(C)C(=O)c1c(C)ncn1C 1753856038 RSWZCTKBBMQCBA-ZDUSSCGKSA-N 319.409 -0.130 30 20 DBED C=CCNC[C@H](O)CNC(=O)[C@H]1CCCN(C(=O)C2CC2)C1 1753918677 ABAIIEWKIUHWBJ-KBPBESRZSA-N 309.410 -0.112 30 20 DBED C=CCNC(=O)NC(=O)CNC[C@H](C)NC(=O)c1cn[nH]c1 1754260287 VLSSYZYQJNPPLM-VIFPVBQESA-N 308.342 -0.871 30 20 DBED C[C@@H](CN(C)CC(=O)NCC#N)NC(=O)C12CCN(CC1)C2 1754331312 RDUGHWCZAYQAKA-LBPRGKRZSA-N 307.398 -0.842 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@]1(C)CCN(CCn2cncn2)C1 1754670021 KHRZOEIURHCLEJ-ZFWWWQNUSA-N 305.382 -0.103 30 20 DBED C=CCn1cc(C(=O)NC[C@]2(O)CCN(C[C@@H](C)OC)C2)nn1 1754758328 DKSCITPVCJKUMB-IUODEOHRSA-N 323.397 -0.334 30 20 DBED CO[C@@H](C)CC(=O)N1C[C@@H]2CN(CC(=O)NCC#N)C[C@@H]2C1 1754839841 GVKYEUHAXYTIMB-RWMBFGLXSA-N 308.382 -0.559 30 20 DBED COc1c(C(=O)N2CCC[C@@](CO)(NCC#N)C2)c(C)nn1C 1755089666 UGLBWPGLBFITOE-OAHLLOKOSA-N 321.381 -0.183 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@H](CO)NCc1nncs1 1755630310 GQBMGCSCAJFYQF-RYUDHWBXSA-N 323.422 -0.798 30 20 DBED N#CCN[C@H](CO)CNC(=O)c1ccc(-n2ccnn2)cc1 1755643832 RLLMOZZWOQQNOH-LBPRGKRZSA-N 300.322 -0.529 30 20 DBED CC(C)C#CC(=O)N(C)C[C@@H](O)CNC[C@H](O)Cn1cccn1 1755776548 AROYWBGISWMDNS-GJZGRUSLSA-N 322.409 -0.688 30 20 DBED C#CCNC(=O)CN1CCC([C@@H](C)NC(=O)CNC(C)=O)CC1 1755841557 OEKKAGIVGGMPAQ-GFCCVEGCSA-N 322.409 -0.911 30 20 DBED C[C@H](NC(=O)Cn1ncnn1)C1CN(C(=O)C#CC2CC2)C1 1756142723 AQKLREVHQWWSJM-JTQLQIEISA-N 302.338 -0.950 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CN(C)C(=O)Cc1nc[nH]n1 1756500296 ZCHGAUABSILISG-TUAOUCFPSA-N 321.381 -0.099 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@H](CO)CNC(=O)c1cscn1 1756519729 UFXAQVXEWNPWPV-UWVGGRQHSA-N 313.379 -0.059 30 20 DBED C[C@@H](OC(=O)Cn1cc([C@@H](C)O)nn1)C(=O)N(C)CCC#N 1771643379 UTBXKPLSXOXTMM-NXEZZACHSA-N 309.326 -0.365 30 20 DBED C#CCNC(=O)CNS(=O)(=O)c1cccc(C(=O)O)c1C 1776135063 ZDHIROSTKUBUGY-UHFFFAOYSA-N 310.331 -0.279 30 20 DBED C=CCC(=O)N1CCO[C@@]2(CCN(C(=O)COCCO)C2)C1 1781321541 UUUPDQLDHHGFRU-OAHLLOKOSA-N 312.366 -0.599 30 20 DBED N#CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc[nH]n1)C2 1795078623 IPHLNCRLGVERPN-DDFAGTSDSA-N 303.322 -0.473 30 20 DBED C#CCCC(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834767673 OVMWOAORWGEYFN-MRXNPFEDSA-N 319.361 -0.230 30 20 DBED N#CCC(=O)N1CCCC12CN(C(=O)COc1cccnn1)C2 1842624362 KSXITBKOTAUPMC-UHFFFAOYSA-N 315.333 -0.028 30 20 DBED CC[C@@H](NC)C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1843006378 OKJVGGVZOVGMCX-LLVKDONJSA-N 307.350 -0.724 30 20 DBED CCN(Cc1cnn(C)c1)c1c(C#N)c(=O)n(C)c(=O)n1C 65945156 LLINFWDYOFGDEJ-UHFFFAOYSA-N 302.338 -0.284 30 20 DBED C#CCOCCC(=O)NCCCn1nc2n(c1=O)CCCC2 120329177 OHNVVGHIKJHQFR-UHFFFAOYSA-N 306.366 -0.073 30 20 DBED CN1CCC[C@@H]2CN(c3c(C#N)c(=O)n(C)c(=O)n3C)CC[C@@H]21 133584371 HEYGRTORPMHXRW-YPMHNXCESA-N 317.393 -0.124 30 20 DBED CC(C)[C@H](C#N)N1CCN(C(=O)CN2C[C@H](O)C[C@H]2CO)CC1 248397766 SIUZCACCXNBFQB-ZNMIVQPWSA-N 324.425 -0.894 30 20 DBED C#CCCN1CCN(C(=O)[C@@H](NC(=O)COC)C(C)C)CC1 265894735 LMMWRMWJPKWLST-HNNXBMFYSA-N 309.410 -0.059 30 20 DBED C=C[C@H](CO)NS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C 290276959 VBHJXESAEHEDHK-SECBINFHSA-N 311.363 -0.298 30 20 DBED CN(C)CCCNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 298326019 PZEKMXABTSIUJX-UHFFFAOYSA-N 324.406 -0.096 30 20 DBED C=CCn1nnnc1SCC(=O)N(C)CC(=O)NCCC 299071208 XINRTIUNMFXQPW-UHFFFAOYSA-N 312.399 -0.064 30 20 DBED CC(C)(C/N=C(/N)NCCCN1CCOCC1)S(C)(=O)=O 304704665 KIWYDRSZAPGFFQ-UHFFFAOYSA-N 320.459 -0.564 30 20 DBED N#Cc1cncc(S(=O)(=O)N[C@@H]2CCCS(=O)(=O)C2)c1 312564317 XJCJETOMASGBDK-SNVBAGLBSA-N 315.376 -0.191 30 20 DBED O=C(CN1CCSC[C@@H]1CO)N/C(O)=N/CC(F)(F)F 330860066 VRBWRPIVXVOQOB-ZETCQYMHSA-N 315.317 -0.011 30 20 DBED C=CCN1CCC(NC(=O)C(=O)N2CCN(CC)CC2)CC1 343738564 LBOBACASQNDREA-UHFFFAOYSA-N 308.426 -0.083 30 20 DBED C[C@@H](CO[C@H]1CCOC1)NC(=O)NCCn1cnc(C#N)n1 345428366 GVCDVEQACKAJFX-QWRGUYRKSA-N 308.342 -0.357 30 20 DBED N#Cc1ccnc(N2CCN(C(=O)CCOC3CNC3)CC2)c1 349005077 RZZGXLJPTNCINR-UHFFFAOYSA-N 315.377 -0.020 30 20 DBED C=CC[C@@H](CO)CNC(=O)c1ccc(S(=O)(=O)NC)nc1 353512968 HAVVCEORXYZLRH-SNVBAGLBSA-N 313.379 -0.096 30 20 DBED C=CCSCCNC(=O)C(=O)NCCN1CCOC[C@H]1C 355285231 CMEXPWZFVIQAFX-GFCCVEGCSA-N 315.439 -0.141 30 20 DBED CCC[C@@H](NC(=O)C(=O)Nc1nn(C(C)C)cc1C#N)C(N)=O 357285608 FWWAMPGEMGMULJ-SNVBAGLBSA-N 320.353 0.044 30 20 DBED CCS(=O)(=O)NCCCNS(=O)(=O)CC1(C#N)CC1 359698869 XFTJDMXROWUWMF-UHFFFAOYSA-N 309.413 -0.461 30 20 DBED C=CCN(CC=C)C(=O)CN1CCC(S(N)(=O)=O)CC1 367130601 ZDNKHFRCTAYYHM-UHFFFAOYSA-N 301.412 -0.060 30 20 DBED N#Cc1cccc(CCNC(=O)N2CCO[C@H](C(N)=O)C2)c1 374194277 PIZBXZAUANGPEZ-ZDUSSCGKSA-N 302.334 -0.004 30 20 DBED COc1ccc2c(c1)OC[C@@H](NC(=O)NCC(=O)NCC#N)C2 377100478 AYDUPKFFLLRILI-NSHDSACASA-N 318.333 -0.062 30 20 DBED N#Cc1ccc(OC2CN(C(=O)C(=O)N[C@@H]3CCNC3)C2)cc1 419888624 RHSRXMNFPXIOJQ-GFCCVEGCSA-N 314.345 -0.374 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N(CCN)Cc2ccccc2)CCO1 423677802 HSNIWJCXJLUGSE-CQSZACIVSA-N 316.361 -0.275 30 20 DBED C#CCNC(=O)C1CCN(C(=O)N[C@@H]2CCCN(C)C2=O)CC1 491105920 WTVJMTAMFGGIHP-CYBMUJFWSA-N 320.393 -0.222 30 20 DBED C#CCN1CCC(C(=O)OCCCN2C(=O)CNC2=O)CC1 491191730 HDUXZZHHOBVGJN-UHFFFAOYSA-N 307.350 -0.183 30 20 DBED C#CCN1CCN(C(=O)CN2C[C@H](CO)OC(C)(C)C2)CC1 491268468 ZRWJTUUCPIIHIG-CQSZACIVSA-N 309.410 -0.765 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@H](C)CC(=O)OC)CC1 491652411 AIIFGHPWNDBEHO-GFCCVEGCSA-N 309.366 -0.921 30 20 DBED C#CCNC(=O)CCN1CCCC[C@H]1CCNS(C)(=O)=O 491743911 IEJVNICDIBLACZ-ZDUSSCGKSA-N 315.439 -0.080 30 20 DBED CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NC[C@@H](C)C#N 525693414 ZWSFCZMFZPNQOV-JTQLQIEISA-N 318.399 -0.904 30 20 DBED CC(=O)N1CCN(C(=O)CCNc2cc(C#N)ncn2)CC1 526280077 QSPWUHNAYIHYFR-UHFFFAOYSA-N 302.338 -0.159 30 20 DBED C=CCOC[C@H](NS(=O)(=O)N1C[C@H]2CC[C@H]1C2)C(=O)O 565301311 SGQBGFYFPHHJNM-DCAQKATOSA-N 304.368 -0.039 30 20 DBED C=CCN1CC[C@H](N2[C@H]3C[C@H]4[C@H]([C@@H]3O)[C@@H]3C[C@H]4[C@@H](O)[C@@H]32)C1=O 567994715 SGYAXMBVFGNKLA-XNLBVDCVSA-N 304.390 -0.166 30 20 DBED CC1(C)CN(C(=O)NCCn2cnc(C#N)n2)CCN1CCO 588731093 JKLKXKYMTNVLSS-UHFFFAOYSA-N 321.385 -0.752 30 20 DBED N#Cc1ncn(CCNC(=O)[C@@H]2CC(=O)N[C@H]3CCCC[C@@H]32)n1 597642568 GBPCHHKMMASMQY-UTUOFQBUSA-N 316.365 -0.039 30 20 DBED N#Cc1ccsc1NC(=O)C(=O)NCCN1CC[C@@H](O)C1 600071056 UTUQVGCKYMTYLF-SNVBAGLBSA-N 308.363 -0.259 30 20 DBED N#CCc1ccccc1S(=O)(=O)NCC(=O)N1CCOCC1 601386713 BOQKGSWVFGRVOS-UHFFFAOYSA-N 323.374 -0.110 30 20 DBED C[C@@H]1[C@H](CO)CCCN1C(=O)C(=O)N1CCN(CCC#N)CC1 601497965 KFHBTWLPJLJHOB-KGLIPLIRSA-N 322.409 -0.336 30 20 DBED CNS(=O)(=O)c1ccc(NC(=O)Cn2cnc(C#N)n2)cc1 603460112 IMAGADQYVWOSEI-UHFFFAOYSA-N 320.334 -0.303 30 20 DBED N#C[C@]1(F)CCN(C(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)C1 615595147 ODOVPIXEEXTRRH-VZTQMQIXSA-N 321.308 -0.387 30 20 DBED CN(C)C(=O)CNC(=O)C(=O)N[C@H]1CCc2cc(C#N)ccc21 618880542 LDNSHUBVOSMLLL-ZDUSSCGKSA-N 314.345 -0.134 30 20 DBED C=C[C@H](CO)NCC(=O)N(CCCC)[C@@H]1CCS(=O)(=O)C1 662167344 AVDRJMUIPOSLOF-CHWSQXEVSA-N 318.439 -0.061 30 20 DBED C=C(C)Cn1c(-c2cn(C)nn2)nnc1N1CC[C@H](C(N)=O)C1 669332545 CURWDAUCPXYAOX-JTQLQIEISA-N 316.369 -0.039 30 20 DBED C#CC[C@@H](CO)NS(=O)(=O)N1CCC[C@H]1C(=O)OCC 717812620 ALAMCCCSVBLSJC-QWRGUYRKSA-N 304.368 -0.768 30 20 DBED O=C(CN1CCCNC1=O)NCc1ccc(C(=O)NO)cc1 746269648 ZDAGAHXGNLXHJB-UHFFFAOYSA-N 306.322 -0.163 30 20 DBED C#CCOc1ccc(NC(=O)C(=O)N2C[C@H](O)C[C@H]2CO)cc1 784853260 KDGOZWVDTLNTFI-QWHCGFSZSA-N 318.329 -0.409 30 20 DBED C#CCCCS(=O)(=O)NC[C@H]1CC[C@H](C(=O)N(C)C)O1 805053894 FEOBTGWQSOGPNG-VXGBXAGGSA-N 302.396 -0.045 30 20 DBED C=CCCCC(=O)NS(=O)(=O)N1CCN(C(C)=O)CC1 813946789 LXUQJGPOBZHGTP-UHFFFAOYSA-N 303.384 -0.132 30 20 DBED C=C[C@H](O)C(=O)OCC(=O)Nc1cc(-n2cnnn2)ccc1F 814546638 HOFZQHGRYQLGJY-NSHDSACASA-N 321.268 -0.170 30 20 DBED C[C@@](C#N)(CC(=O)O)C(=O)N1CC[C@@H](NS(C)(=O)=O)C1 819811471 PINHHZCSTQTSQD-KCJUWKMLSA-N 303.340 -0.859 30 20 DBED CCn1nc(C)c(CNS(=O)(=O)N2CCO[C@@H](C#N)C2)n1 819891226 QXJWHEVADJBYQW-JTQLQIEISA-N 314.371 -0.835 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)c2cc[nH]c2CC)CC1 831574675 MAFPWLGPZLNNHL-UHFFFAOYSA-N 324.406 -0.198 30 20 DBED Cn1cc(C#N)c(NS(=O)(=O)c2cnn(CC(=O)O)c2)n1 833040883 SVYHHWOFECIQMS-UHFFFAOYSA-N 310.295 -0.626 30 20 DBED CON=CC(=O)NC[C@@H](NS(=O)(=O)N(C)C)C1CCCC1 837705665 MTTZFOUUULFPPX-LLVKDONJSA-N 320.415 -0.310 30 20 DBED C#CCC[C@@H](C)OC(=O)CN1CCN(S(C)(=O)=O)CC1 839043630 TUFKPKHQHPVPKJ-GFCCVEGCSA-N 302.396 -0.091 30 20 DBED C#CCN(C)CCCNC(=O)N[C@H]1CCc2c(nnn2C)C1 847379375 SVXDUDUYPJBNFP-LBPRGKRZSA-N 304.398 -0.073 30 20 DBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1C[C@@H]2C[C@H]1CN2 877164853 DNOCICFSSKHHBQ-UWVGGRQHSA-N 320.374 -0.702 30 20 DBED CC#CCNCc1cn(CC(=O)N=[S@](C)(=O)N(C)C)nn1 881386105 GGRJZHWKFLDXOR-NRFANRHFSA-N 312.399 -0.508 30 20 DBED C#CC1(O)CN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C)cc2)C1 890519346 KVUZIGPDYGPKOQ-LBPRGKRZSA-N 322.386 -0.132 30 20 DBED C#CC1(O)CN(C(=O)c2cc(S(=O)(=O)NC)cs2)C1 890522981 JQWALHTWSCUFFU-UHFFFAOYSA-N 300.361 -0.524 30 20 DBED Cn1nnc(C(=O)N[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)n1 938460597 HQUSHMACHDLIHP-VIFPVBQESA-N 314.309 -0.946 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](N(C)C(=O)c2c[nH]c(=O)cn2)C1 939397605 PVMAGVMUYDDLRZ-NXEZZACHSA-N 303.322 -0.398 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](N(C)C(=O)c2ccc(=O)n(C)n2)C1 939401776 NFMBTVAISRNYDI-WDEREUQCSA-N 317.349 -0.387 30 20 DBED C[C@H](C#N)C(=O)N1CCCN(C(=O)c2cnc(O)n2C)CC1 941834892 UVYLUHLCDVXXSE-SNVBAGLBSA-N 305.338 -0.040 30 20 DBED C#CCN1CC[C@@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)C[C@H]1C 947895566 OMIYXKMMQBWUAC-VXGBXAGGSA-N 320.393 -0.081 30 20 DBED CC[C@@H]1CN(C(=O)C(N)=O)CC[C@H]1NC(=O)c1ccc(C#N)[nH]1 948524532 HNCOZXWCBKOVGQ-MWLCHTKSSA-N 317.349 -0.271 30 20 DBED CC#CCN1CCN(C(=O)[C@@H]2Cc3cncn3C(=O)N2)CC1 949433989 KPRHOUNAPBKZAV-ZDUSSCGKSA-N 301.350 -0.467 30 20 DBED C#CCN1CC(N(CC)C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 950094455 QQMKAAACYSTPNT-GFCCVEGCSA-N 315.377 -0.072 30 20 DBED C[C@@H](NC(=O)c1c[nH]c(C#N)c1)[C@@H]1CCCCN1C(=O)C(N)=O 953650109 XYCWLNJEBLWSRQ-SKDRFNHKSA-N 317.349 -0.129 30 20 DBED C[C@]1(NC(=O)[C@@H]2CCC(=O)N2)CCN(C(=O)C#CC2CC2)C1 957253291 WMRPXPKIDFLSHQ-LRDDRELGSA-N 303.362 -0.214 30 20 DBED C#CCN1CCC(C(=O)N[C@H]2CN(C(=O)COC)C[C@@H]2C)CC1 966083004 RFXGEFCNWIJRJA-ZFWWWQNUSA-N 321.421 -0.059 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)c1cnn(C)n1 966403056 VJSDWGLEIJZJOI-ZWNOBZJWSA-N 301.350 -0.195 30 20 DBED C#Cc1ccc(C(=O)N2C[C@H](C)[C@H](NC(=O)C(N)=O)C2)cn1 966653881 SYPMVVYCQXRQBL-JOYOIKCWSA-N 300.318 -0.875 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)Cc2ccc(F)cn2)C1 968221333 HEQADVJYOGFQBR-BIMULSAOSA-N 320.324 -0.389 30 20 DBED C=CCN(C)[C@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)C1 972720340 JCYJQZAGCSUHGT-JTQLQIEISA-N 302.338 -0.250 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)[C@H]3CCCC(=O)N3)[C@H]2C1 976694190 WZELNRDMHYOEHK-HMUNZLOLSA-N 304.350 -0.612 30 20 DBED CN(C)c1cnc(C(=O)NCC2[C@H]3CN(CC#N)C[C@H]23)cn1 978142599 LAFINIZRJMBCOP-VXGBXAGGSA-N 300.366 -0.026 30 20 DBED C=C(Cl)CN[C@H]1CCN(C(=O)CN2CC(=O)NC2=O)[C@@H]1C 987194679 GHTMOZLYOIKNOP-ZJUUUORDSA-N 314.773 -0.130 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)C(N)=O)[C@@H]2C)nc1 989163799 GJQYCXMNIUSHLX-KOLCDFICSA-N 300.318 -0.733 30 20 DBED CC1(C)C(=O)NC(=O)N1CC(=O)N1CCCN(CC#N)CC1 989412713 UVWWVLPTTKLSNE-UHFFFAOYSA-N 307.354 -0.625 30 20 DBED O=C(N[C@H]1CCN(C(=O)C#CC2CC2)C[C@H]1O)C1=COCCO1 991234586 UFVNSIGAQICWTI-QWHCGFSZSA-N 320.345 -0.634 30 20 DBED C#CCN1CCC[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)[C@@H]1C 994216481 VPAAXJJZMJVJDH-QWRGUYRKSA-N 314.349 -0.367 30 20 DBED C#CCN1CCC(C(=O)N[C@@H]2CCCN(CC(N)=O)[C@H]2C)CC1 994495845 HFWTUTBQGRSZQS-DZGCQCFKSA-N 320.437 -0.214 30 20 DBED Cc1nonc1C(=O)NCc1cn([C@H]2CCN(CC#N)C2)nn1 1000041543 FUZRRRSIGHPCMN-NSHDSACASA-N 316.325 -0.330 30 20 DBED C#Cc1ccc(C(=O)N[C@@H](C)C2CN(C(=O)C(N)=O)C2)nc1 1006533706 LBCMGOAKGKFNLO-VIFPVBQESA-N 300.318 -0.875 30 20 DBED C[C@H](NC(=O)c1nc[nH]n1)C1CN(C(=O)c2cc(C#N)c[nH]2)C1 1006613290 KBJNLVFAVVNIHP-QMMMGPOBSA-N 313.321 -0.105 30 20 DBED CC#CCN1CCC[C@@H](NC(=O)c2nccnc2C(N)=O)C1 1009458888 JPWOYMUECFYMDW-LLVKDONJSA-N 301.350 -0.207 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2C(NC(=O)Cn3ccccc3=O)[C@@H]2C1 1013078006 PHWLMYSYTAHUSG-IJLUTSLNSA-N 314.345 -0.419 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCN(CCN2CCNC2=O)C1 1015726333 LYTXIVMIMJQUIQ-MCIONIFRSA-N 322.409 -0.207 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CCN(Cc3nnnn3C)C2)nc1 1016021766 AOPHHKYAUKVSLO-GFCCVEGCSA-N 311.349 -0.409 30 20 DBED CS(=O)(=O)CC(=O)N1CCC2(CN(C(=O)C#CC3CC3)C2)C1 1019009411 XWKADYGPQWWFDT-UHFFFAOYSA-N 324.402 -0.495 30 20 DBED Cn1nnnc1CN[C@H]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 1021981204 RPNZHOLWGKTARA-AOOOYVTPSA-N 300.326 -0.540 30 20 DBED C=CCN[C@H]1C[C@@H](NC(=O)C2(n3cnnn3)CCOCC2)C1 1022839366 AWBXBASMQPGSDV-TXEJJXNPSA-N 306.370 -0.398 30 20 DBED O=C(N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O)c1cccc(O)n1 1023297486 WZIXQUSPEIDKRJ-CHWSQXEVSA-N 315.329 -0.498 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2cscn2)C1 1023749306 AXJUYVRCBUPNHD-JMJZKYOTSA-N 308.363 -0.467 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)OC)C[C@H]2O)c1 1025551865 RNSHOYRKIHVJOG-LERXQTSPSA-N 317.345 -0.601 30 20 DBED Cn1cc(C(=O)N2C[C@@H]3CC[C@H](NCC#N)[C@H]3C2)c(O)nc1=O 1026418969 MOGJAKOENXEMDP-NHCYSSNCSA-N 317.349 -0.550 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2CCCN2[C@@H](C)C(N)=O)nn1 1028188068 SCQGWWDKQBQDEJ-QWRGUYRKSA-N 306.370 -0.468 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1CCCN([C@@H](CC)C(N)=O)C1 1030031494 TWOUZWVIRJNNGM-KKUMJFAQSA-N 320.437 -0.072 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)Cc3n[nH]c(C)n3)C2)C1=O 1030291637 DHKKFEZSMDYCQC-LBPRGKRZSA-N 318.381 -0.757 30 20 DBED C=C(Cl)CN1CC(CNC(=O)c2cnc(O)n(C)c2=O)C1 1031895365 YITJGHICWPZMHD-UHFFFAOYSA-N 312.757 -0.100 30 20 DBED C#CCN1CCC(C(=O)N2C[C@@H]3C[C@H]2CN3CC(N)=O)CC1 1032801935 MNHHPVQGNWZBMG-KBPBESRZSA-N 304.394 -0.898 30 20 DBED N#CCN1CCCC[C@H](NC(=O)Cn2ccc(O)nc2=O)C1 1034292041 BFAJAICBDJOXLN-NSHDSACASA-N 305.338 -0.557 30 20 DBED Cc1nnc2n1C[C@@H](C(=O)NC[C@@H]1CN(CC#N)CCO1)CC2 1035614732 QSDPDOAWGZDMPE-QWHCGFSZSA-N 318.381 -0.511 30 20 DBED C#CCCN1CCO[C@@H](CNC(=O)c2cccc(C(N)=O)n2)C1 1035624927 MUQHKFVQUKMAGK-LBPRGKRZSA-N 316.361 -0.366 30 20 DBED C=CCN1CC2(CCN(C(=O)Cn3cnc(C(N)=O)n3)CC2)C1 1035709203 SIUDWYCPYYRSCU-UHFFFAOYSA-N 318.381 -0.513 30 20 DBED C#CCN[C@H]1CCN(C(=O)CN2CCCS2(=O)=O)C[C@@H]1C 1036058566 RUHPRDHZNADMGX-STQMWFEESA-N 313.423 -0.518 30 20 DBED C#Cc1cncc(C(=O)N2CC[C@@H](NCC(N)=O)[C@@H](C)C2)c1 1036181275 PYXUGKJCLXKIEQ-SMDDNHRTSA-N 300.362 -0.012 30 20 DBED C#CCN1CC[C@H]2CN(C(=O)Cn3ncn(C)c3=O)CC[C@@H]21 1036753778 WBXDRPHVACBLLD-STQMWFEESA-N 303.366 -0.862 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)CN3CCCNC3=O)CC[C@H]21 1036759642 OVSQNICMLKZKPY-ZIAGYGMSSA-N 304.394 -0.042 30 20 DBED C#CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)Cc1nnn(C(C)(C)C)n1 1037414144 ILOSOVULFCSJAR-UHIISALHSA-N 302.382 -0.207 30 20 DBED C#CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1nc(C)n(-c2nc[nH]n2)n1 1037539224 MCFAMRHUUPCUIW-OUAUKWLOSA-N 312.337 -0.870 30 20 DBED CC#CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)Cc1nc2ncccn2n1 1037730522 XDFRXMWXQLDCBK-XUJVJEKNSA-N 310.361 -0.121 30 20 DBED CC(C)C#CC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2CCN(C)C2)C1 1039760956 WVKOSQDXHQKOEU-RHSMWYFYSA-N 321.421 -0.323 30 20 DBED C=CCO[C@H](C)C(=O)N1CC[C@](O)(CNC(=O)c2cnn[nH]2)C1 1040268714 KCYSAPBFQYUHFQ-YGRLFVJLSA-N 323.353 -0.911 30 20 DBED C=CCCOCC(=O)N1CC[C@](O)(CNC(=O)c2cnn[nH]2)C1 1040269050 NLSICAXZCNXFOG-AWEZNQCLSA-N 323.353 -0.909 30 20 DBED C=CC(C)(C)C(=O)NC[C@@]1(O)CCN(C(=O)[C@H]2CCC(=O)N2)C1 1040484772 HHQNLLNBBGKQJO-BZNIZROVSA-N 323.393 -0.443 30 20 DBED CSCC(=O)NCC1(O)CN(C(=O)CSCC#N)C1 1041360185 UGWZJNUDZQVCGL-UHFFFAOYSA-N 303.409 -0.704 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCCN2C(N)=O)C1 1041972605 FKIJNSVTGSNYRQ-NSHDSACASA-N 324.381 -0.815 30 20 DBED C=C(C)CCC(=O)N1CC(O)(CNC(=O)[C@H]2C[C@H]2C(=O)OC)C1 1041983997 IOIOZVFNPYRFBM-NWDGAFQWSA-N 324.377 -0.159 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)[C@H]2CCCN2C)C1 1042099035 ZERCXHMMEQRMET-CYBMUJFWSA-N 307.394 -0.426 30 20 DBED C#CCN1CC[C@H]2CCN(C(=O)Cn3nc(C)n(C)c3=O)C[C@H]21 1042333541 PKZUKFPORGUNSX-UONOGXRCSA-N 317.393 -0.554 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)C2CCC(O)CC2)C1 1042936395 GMLPMSCMEABTFW-UHFFFAOYSA-N 322.405 -0.114 30 20 DBED C[C@@]1(C(=O)N2CC(O)(CNC(=O)C#CC3CC3)C2)CCCOC1 1042961335 UJVQPZLQIOEPBC-MRXNPFEDSA-N 320.389 -0.094 30 20 DBED Cc1nc[nH]c1C(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1044035050 LTHFMPGGQGWZGM-MNOVXSKESA-N 313.321 -0.641 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)c2ncccn2)C1 1045209002 MYRCLENGRHIDIU-UHFFFAOYSA-N 302.334 -0.561 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)c2cn(CCC)nn2)C1 1045569513 OVPAVGOIILEDHD-UHFFFAOYSA-N 321.381 -0.043 30 20 DBED C#CCCN1CC[C@@H](N2CCN(C(=O)[C@H]3CCC(=O)N3)CC2)C1 1046012497 OTWFXYHGBLZCQM-HUUCEWRRSA-N 318.421 -0.493 30 20 DBED N#CCN1CC[C@@H](N2CCN(C(=O)[C@@]34COC[C@@H]3C4)CC2)C1 1046031842 AFBSWBNOTZHYNO-LZWOXQAQSA-N 304.394 -0.235 30 20 DBED N#CCN1CCC(F)(F)[C@@H](CNC(=O)c2c[nH]c(=O)cn2)C1 1046971049 MWDYUYNDOOGWHQ-VIFPVBQESA-N 311.292 -0.020 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@@H](N(C)C(=O)[C@]2(C)CCNC2=O)C1 1047526107 JUQORQMPSDDDCO-COPLHBTASA-N 315.801 -0.231 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCC(=O)N2C)C1 1047614292 FTCUXNICPLKQJH-IHRRRGAJSA-N 307.394 -0.476 30 20 DBED CC(C)C#CC(=O)N(C)[C@H]1CN(C(=O)c2cn(C)cn2)C[C@@H]1O 1048811578 ZXJHPSOVOYPBID-KBPBESRZSA-N 318.377 -0.277 30 20 DBED C#CCOCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[C@H]2C)C1 1049171778 IKRZZQRXOWDAOD-MQYQWHSLSA-N 308.378 -0.288 30 20 DBED C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[C@H]1NC(=O)NC1=O 1049883353 IUFBCFHXPGKCAD-FRRDWIJNSA-N 318.377 -0.327 30 20 DBED CC#CCN1CCOC[C@H]1CNC(=O)[C@@H]1CCS(=O)(=O)C1 1051011650 MFYQGFCYPKZTCS-CHWSQXEVSA-N 314.407 -0.739 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)c1cnn(CCOC)c1 1051228550 JYOYOJFOZZYFSW-CQSZACIVSA-N 306.366 -0.407 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1C 1051935739 RRAVGYQAGFXXLA-VXGBXAGGSA-N 308.382 -0.475 30 20 DBED C#CCN1CCN([C@@H]2CCN(C(=O)c3cncnc3O)C2)CC1 1052040812 LDCAQAMZZCBJFJ-CYBMUJFWSA-N 315.377 -0.353 30 20 DBED C#CCCN1CCC[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)CC1 1052863336 KWKUHBBDQZLRAR-CYBMUJFWSA-N 320.393 -0.126 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCOC2(CN(C[C@@H](C)O)C2)C1 1053437377 SWNCLQALQJQIDP-MCIONIFRSA-N 310.394 -0.129 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)[C@H]3COCCN3C)CO2)C1 1053782103 FHZSWVPDVBNNAC-ZIAGYGMSSA-N 307.394 -0.700 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)[C@@H]3COCCN3CC)CO2)C1 1053854062 REDDFUKZVWNFHB-KBPBESRZSA-N 307.394 -0.700 30 20 DBED C=C[C@@H](C)[C@H](C)C(=O)NC1CCN(CCNC(=O)C(N)=O)CC1 1055629464 AZKSLJNMTWTOTN-NEPJUHHUSA-N 324.425 -0.373 30 20 DBED N#Cc1nccnc1NC[C@]12CCC[C@H]1CN(C(=O)C(N)=O)C2 1055681321 JWMGRGMIPGEXKR-BONVTDFDSA-N 314.349 -0.126 30 20 DBED C=CC(C)(C)C(=O)N1CCC[C@](CO)(NC(=O)CC(N)=O)C1 1055848941 OYPPFOJXWAAJEX-HNNXBMFYSA-N 311.382 -0.456 30 20 DBED Cn1nccc1CC(=O)NC1[C@H]2CN(c3cncc(C#N)n3)C[C@H]12 1056173630 PYZNCFAVVULIRZ-STQMWFEESA-N 323.360 -0.125 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)[C@@H](CC)OCC 1057129954 HSDVOAUXDRJUPW-CYBMUJFWSA-N 316.398 -0.059 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)CCCn1ccnn1 1057171200 RMSSDMZIGXFTTB-UHFFFAOYSA-N 323.397 -0.038 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)[C@@]1(C)CCNC1=O 1057445163 KJCKHEXTYGNVKT-INIZCTEOSA-N 323.393 -0.747 30 20 DBED Cn1cnc(C(=O)NCCN(CCO)C(=O)C#CC2CC2)c1 1057531788 ZPRCLHOOIXVVKT-UHFFFAOYSA-N 304.350 -0.616 30 20 DBED C=CCCOCC(=O)NCCN(CCO)C(=O)C#CC1CC1 1057537672 JXWKFPIRPLJXSJ-UHFFFAOYSA-N 308.378 -0.070 30 20 DBED Cn1cnc(C(=O)NCCN(CCO)C(=O)C#CC(C)(C)C)n1 1057538507 AMGGOTZAAYVKQC-UHFFFAOYSA-N 321.381 -0.585 30 20 DBED C#CCOCCC(=O)N(CCO)CCNC(=O)c1cnc(C)[nH]1 1057580531 DUEJPBODRAWWPF-UHFFFAOYSA-N 322.365 -0.691 30 20 DBED C=CC(C)(C)CC(=O)N(CCO)CCNC(=O)Cn1cncn1 1057694889 RRISVNLRTKRESX-UHFFFAOYSA-N 323.397 -0.183 30 20 DBED N#Cc1ccc(N2CC[C@@H](NC(=O)c3nccnc3N)C2)nn1 1058315598 HKZBPXCPXGVEQB-SNVBAGLBSA-N 310.321 -0.271 30 20 DBED C[C@@H](C(=O)N[C@H]1CCN(c2nccnc2C#N)C1)n1cncn1 1058324280 DIUBVCSXNGLAHI-QWRGUYRKSA-N 312.337 -0.104 30 20 DBED C[C@H](C#N)C(=O)NCC[C@H]1CCN(C(=O)c2cn(C)nn2)C1 1059586422 QLDASKCMHHMFGV-MNOVXSKESA-N 304.354 -0.057 30 20 DBED C=CCCO[C@H](C)C(=O)N1CC2(CCN(C(=O)C(N)=O)CC2)C1 1060935606 HRLUTQVVXNZRSR-GFCCVEGCSA-N 323.393 -0.096 30 20 DBED N#Cc1nccnc1N1CCC[C@@H]1CNC(=O)[C@H]1CCNC1=O 1061422167 CAKWEBAXDYGSQI-MNOVXSKESA-N 314.349 -0.431 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H]1COCCN1C(=O)c1cnco1 1061584396 GVVISAZEVIHPIJ-NEPJUHHUSA-N 321.333 -0.330 30 20 DBED C#CCCCC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1CCNC1=O 1061747966 CSGDXIRBDZXVFS-QWHCGFSZSA-N 321.377 -0.730 30 20 DBED C=CCCC1(C(=O)NC[C@@H]2COCCN2C(=O)C(N)=O)CC1 1061869371 MCAVCVCOXRBOME-LLVKDONJSA-N 309.366 -0.438 30 20 DBED CN(C(=O)[C@@H]1CNC(=O)N1)[C@@H]1CCN(c2ccnc(C#N)n2)C1 1063024823 IOJRFZOMCQJJCB-ZJUUUORDSA-N 315.337 -0.933 30 20 DBED C=CC(C)(C)C(=O)NC[C@H]1CN(C(=O)Cn2cnnn2)CCO1 1064840150 IYYHFFOOMAPLSU-NSHDSACASA-N 322.369 -0.771 30 20 DBED C=CCCC(=O)N1CCO[C@H](CNC(=O)[C@H]2CCCC(=O)N2)C1 1064961964 WBLFKYLGOQZUEF-CHWSQXEVSA-N 323.393 -0.035 30 20 DBED C=CCOCC(=O)N1CCO[C@@H](CNC(=O)[C@H]2CCCO2)C1 1064974521 WBSBASSUJRPGCW-QWHCGFSZSA-N 312.366 -0.288 30 20 DBED C=CCCOCC(=O)N1CCO[C@@H](CNC(=O)c2cnon2)C1 1065278385 JQTHLFUPTHYORR-NSHDSACASA-N 324.337 -0.381 30 20 DBED N#Cc1c(F)cccc1N[C@@]1(CO)CCCN(C(=O)C(N)=O)C1 1066920296 OVKIOBVNIOITLH-HNNXBMFYSA-N 320.324 -0.052 30 20 DBED C=C[C@@H](CC)CC(=O)N1CC2(C[C@@H](NC(=O)C(N)=O)CO2)C1 1068993305 UXYCEFPUCIXUFG-WDEREUQCSA-N 309.366 -0.440 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)Cc2cnn(C)c2)C1 1069901862 WMMNTEOQDVVAIT-KGLIPLIRSA-N 313.365 -0.771 30 20 DBED COCC(=O)N1C[C@H](c2n[nH]c(C)n2)C2(CN(CC#N)C2)C1 1070435981 XLQQYQNGFMUTQG-LLVKDONJSA-N 304.354 -0.489 30 20 DBED Cn1cncc1[C@@H]1CN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C[C@H]1NCC#N 1070679252 OHXYGGKXXCYWEG-VVSAWPALSA-N 315.377 -0.280 30 20 DBED CCS(=O)(=O)CC(=O)N1CCC[C@@H](NC(=O)[C@@H](C)C#N)C1 1070863330 SOEFZBJFVKGUOJ-WDEREUQCSA-N 315.395 -0.312 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(C(=O)c2cnco2)C[C@H]1C 1072450507 MIANGJHAYVQGEO-GHMZBOCLSA-N 318.333 -0.609 30 20 DBED Cn1cc(C(=O)NC[C@@H]2CN(CC#N)CCCO2)n(C)c1=O 1073904306 CLNASKQHVAIXGR-LLVKDONJSA-N 307.354 -0.932 30 20 DBED CNC(=O)CC(=O)N1CC[C@H](NC(=O)C#CC2CC2)[C@H](C)C1 1073945912 KVEYDIOOFJLDDM-YPMHNXCESA-N 305.378 -0.111 30 20 DBED C=CCOCC(=O)N1CC[C@@H](NC(=O)c2cnn[nH]2)[C@H](C)C1 1074050240 YDDWIIBYQQJDAB-GHMZBOCLSA-N 307.354 -0.026 30 20 DBED Cn1ccc(=O)c(C(=O)N2CC[C@@H]3OCCN(CC#N)[C@H]3C2)c1 1074291843 LXDADWRQHCYUCI-ZFWWWQNUSA-N 316.361 -0.176 30 20 DBED COc1cncc(C(=O)N2CC[C@@H]3OCCN(CC#N)[C@@H]3C2)n1 1074351291 KZQSPVWPPXUBFI-OLZOCXBDSA-N 317.349 -0.076 30 20 DBED C[C@@H](CCNC(=O)c1ccc(C#N)[nH]1)NC(=O)Cn1cncn1 1076183286 SCVATLLGPXDFLL-JTQLQIEISA-N 315.337 -0.197 30 20 DBED CNC(=O)NCC(=O)N[C@@H](C)CCNC(=O)c1c[nH]c(C#N)c1 1076218760 FBVZJZJYDMRPLL-VIFPVBQESA-N 320.353 -0.560 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)[C@@H](C)OCC=C 1076219951 JFVSAECZGUSHQV-QWHCGFSZSA-N 323.393 -0.272 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCS(=O)(=O)C2)C1 1077332200 SHXIKNVKZHHSPJ-QJPTWQEYSA-N 302.396 -0.842 30 20 DBED CC(C)C#CC(=O)N[C@@H](C)CCNC(=O)[C@H]1CN(C)C(=O)N1 1077735481 ZUKLLPYBCAXQHO-NWDGAFQWSA-N 308.382 -0.320 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3ccnc3)cn2)C1 1077991379 OYGYBURFXINVGO-ZIAGYGMSSA-N 312.333 -0.434 30 20 DBED C#CCN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)Cn1nc(C)n(C)c1=O)C2 1079097711 DRMROCFZBCNROA-MGPQQGTHSA-N 317.393 -0.507 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)c2cnn[nH]2)C1 1080066237 YNOMYBOPHZKRBD-JTQLQIEISA-N 305.338 -0.484 30 20 DBED CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)C2(C(=O)NC)CC2)C1 1080413140 RAWGQKJUAQTRNM-JTQLQIEISA-N 306.366 -0.268 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC(CO)(NC(=O)COC)CC1 1080676617 HVMDOQUNJNHRLC-LBPRGKRZSA-N 312.366 -0.859 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](O)[C@H](CNC(=O)CCCC)C1 1081270826 MSDPPIFEGTXYQQ-CHWSQXEVSA-N 323.393 -0.748 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cc[nH]n2)C1 1081285635 ANQAXVXPLGVTKQ-PWSUYJOCSA-N 308.338 -0.839 30 20 DBED C=CCCC(=O)N1C[C@H](CNC(=O)Cn2ccnc2)[C@@H](O)C1 1081577175 JZTOXYQSQWHHMM-STQMWFEESA-N 306.366 -0.215 30 20 DBED CC#CCN1C[C@@H](NC(=O)Cn2cc(C3CC3)nn2)[C@H](OC)C1 1081792768 CNTUVKDQJJKUEC-HUUCEWRRSA-N 317.393 -0.006 30 20 DBED CC#CCN1C[C@@H](NC(=O)Cn2nnnc2C(C)C)[C@H](OC)C1 1082215016 GEORRRPGBJYQOC-CHWSQXEVSA-N 320.397 -0.365 30 20 DBED CCN1C[C@@H](C(=O)N2CCO[C@@H]3CN(CC#N)C[C@@H]32)CC1=O 1083098783 HLLWWNKOTOEKEZ-RWMBFGLXSA-N 306.366 -0.710 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CCNC(=O)CC1 1083153859 SSRWOBOWDMFWDH-SOUVJXGZSA-N 319.405 -0.162 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)c2nccn3cc(C)nc23)C1 1083929275 VPNXNGPXFKRDEK-OLZOCXBDSA-N 313.361 -0.164 30 20 DBED CC#CCN1CC[C@@H]2CN(C(=O)CN3C(=O)CN(C)C3=O)[C@@H]2C1 1084818756 QTHYFOODPMWINF-CHWSQXEVSA-N 318.377 -0.564 30 20 DBED C#CCN[C@H]1C[C@@H](CNC(=O)[C@H]2CCc3nnnn3CC2)C1 1086204224 JBRWYZHCABGNRT-RWMBFGLXSA-N 302.382 -0.257 30 20 DBED CC#CCN1C[C@H]2CC[C@H]1[C@H]1CN(C(=O)Cn3cnnn3)C[C@@H]21 1087335820 QNBDXFLNEBTIOW-QPSCCSFWSA-N 314.393 -0.135 30 20 DBED C#CCCN1CC[C@H](NC(=O)CN2CC(=O)N(C)C2=O)[C@H]1C 1088977088 FZFOJLARPCKRAI-NEPJUHHUSA-N 306.366 -0.517 30 20 DBED C[C@@H]1CC[C@@H](NC(=O)CNC(N)=O)CN1c1ccc(C#N)nn1 1089110190 OHBYTVFVVGQGST-MWLCHTKSSA-N 317.353 -0.510 30 20 DBED CCN(c1cncc(C#N)n1)[C@H](C)CNC(=O)[C@@H]1CNC(=O)N1 1089728408 MFLQNGXJDBLAQB-KOLCDFICSA-N 317.353 -0.639 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)CC(F)(F)F)C2)nn1 1090377748 KAICVNOOHWCAKY-RKDXNWHRSA-N 315.255 -0.034 30 20 DBED CO[C@@H](C)C(=O)N[C@@H]1CN(c2nc(C)cc(C#N)n2)C[C@H]1O 1090378059 QYBAHPFPRYWXLU-MVWJERBFSA-N 305.338 -0.643 30 20 DBED N#CCN1CC[C@H](NC(=O)c2ccnc3c2CC(=O)N3)[C@@H](O)C1 1090393385 KCYPCCITCJPRQI-RYUDHWBXSA-N 315.333 -0.735 30 20 DBED CNC(=O)NCC(=O)NC[C@H]1C[C@@H](Nc2ccc(C#N)nn2)C1 1091410922 JMRUJHOUGYEIPV-JGZJWPJOSA-N 317.353 -0.416 30 20 DBED CNC(=O)CC(=O)N[C@H]1CCN(c2ncccc2C#N)C[C@@H]1O 1092148765 UHKFTVMSTUKTMO-RYUDHWBXSA-N 317.349 -0.855 30 20 DBED CNC(=O)CC(=O)N[C@H]1[C@@H]2CN(c3nccnc3C#N)C[C@@H]21 1093242379 UHXVVQDLVRLKRQ-WOFXILAISA-N 300.322 -0.965 30 20 DBED CNC(=O)NCC(=O)NC1[C@H]2CN(c3ccc(C#N)nc3)C[C@H]12 1093361073 LTVIBQQRNWSZJT-RYUDHWBXSA-N 314.349 -0.567 30 20 DBED C#CCNC(=O)CC(=O)NCCNc1cc(COC)ncn1 1093558353 PPZHSNBNVZUFFI-UHFFFAOYSA-N 305.338 -0.709 30 20 DBED CCc1nc(C#N)cc(NCCNC(=O)C(=O)NCC2CC2)n1 1093810401 KKPREIODKCZGME-UHFFFAOYSA-N 316.365 -0.035 30 20 DBED N#Cc1cnc(NCCNC(=O)C[C@@H]2CCS(=O)(=O)C2)cn1 1093991794 LKELZXJCYKHYIM-JTQLQIEISA-N 323.378 -0.299 30 20 DBED Cn1oc(C(=O)NCCCNc2cnc(C#N)cn2)cc1=O 1094410410 XAPAEQBCZUZVFC-UHFFFAOYSA-N 302.294 -0.128 30 20 DBED N#CCN1CC[C@@]2(CNC(=O)C3CC(=O)NC(=O)C3)CCC[C@@H]12 1094534596 KFXIWXHMQOFINS-MLGOLLRUSA-N 318.377 -0.076 30 20 DBED C[C@@H](C(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1)n1cccn1 1094705018 HCBMHGNNRWWPRP-RYUDHWBXSA-N 316.365 -0.631 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CC(=O)N(C3CN(CCF)C3)C2)c1 1094720690 PCJSUMXFRBKFBJ-LLVKDONJSA-N 319.340 -0.129 30 20 DBED CN1C(=O)CC[C@@H]1C(=O)NCCCNc1ccc(C#N)nn1 1094732347 HVWGUGIBGMPJQI-LLVKDONJSA-N 302.338 -0.113 30 20 DBED COCCOCC(=O)NCCCN(C)c1cncc(C#N)n1 1095507194 KVEALQKLDZQSAO-UHFFFAOYSA-N 307.354 -0.046 30 20 DBED N#Cc1ccc(N[C@H](CNC(=O)Cn2cnnn2)C2CC2)cn1 1096568496 YMXOHKKWOKEIGP-CYBMUJFWSA-N 312.337 -0.053 30 20 DBED C[C@@H](CC(=O)N[C@H]1C[C@@H](Nc2ccc(C#N)nn2)C1)NC(N)=O 1097225494 YSVXGEKEOMGVLE-INTQDDNPSA-N 317.353 -0.146 30 20 DBED CC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H]1CC(=O)NC(=O)N1 1097944605 DRKKKHMEYJWTGH-WYUUTHIRSA-N 304.350 -0.671 30 20 DBED Cc1cc(=N[C@H](C)CNC(=O)[C@H]2C[C@H]2C(N)=O)c(C#N)c[nH]1 1098270077 BLDOYYGFMCXYLK-JLLWLGSASA-N 301.350 -0.278 30 20 DBED COCC#CCN1CC[C@H](NC(=O)CCn2cccn2)[C@H](O)C1 1099684161 NYEJOFIUZJMQLP-LSDHHAIUSA-N 320.393 -0.526 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(CC(=O)NC(C)C)C[C@H]1O 1099741242 PYRCVXQVCLMAEL-CHWSQXEVSA-N 313.398 -0.735 30 20 DBED CC#CCN1CC[C@H](NC(=O)CCN2CCOCC2)[C@@H](O)C1 1100036777 MWYPVFJUTGNZSO-GJZGRUSLSA-N 309.410 -0.717 30 20 DBED CCN(CCNC(=O)CNC(C)=O)c1nc(C)cc(C#N)n1 1100439466 CPHZFHIBOAIKRW-UHFFFAOYSA-N 304.354 -0.265 30 20 DBED CCN(CCNC(=O)CNC(N)=O)c1nc(C)cc(C#N)n1 1100458878 QUHSTYDNKMSLRM-UHFFFAOYSA-N 305.342 -0.733 30 20 DBED Cc1nccn1CC(=O)NCC1CC(NCC(=O)NCC#N)C1 1100983817 SCNXGJKLZJLCMJ-UHFFFAOYSA-N 318.381 -0.684 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)Cn2cccn2)C1 1101720262 PHXNTFFLGOZRKA-ZIAGYGMSSA-N 317.393 -0.683 30 20 DBED C[C@H](C(=O)N(C)CCN=c1cc[nH]c(C#N)n1)[C@H]1CCC(=O)N1 1101966067 VQYRORZVALZWOP-WDEREUQCSA-N 316.365 -0.445 30 20 DBED COCCOCC(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(C#N)n1 1102540989 UBPLMDCDPGJMRG-RYUDHWBXSA-N 317.349 -0.199 30 20 DBED C[C@@H](CN=c1cc[nH]cc1C#N)CNC(=O)[C@@H]1CCC(=O)N1 1104034933 QQERGSIZBBHFGV-GWCFXTLKSA-N 301.350 -0.182 30 20 DBED C[C@H](CNC(=O)[C@@H]1CNC(=O)N1)CNc1ncccc1C#N 1104184372 XNJWCAKWXASPRI-ONGXEEELSA-N 302.338 -0.201 30 20 DBED CNC(=O)NCC(=O)NC[C@@H](C)CN=c1cc[nH]cc1C#N 1104246498 VHDJNBVUONFLLR-JTQLQIEISA-N 304.354 -0.532 30 20 DBED C[C@H](CNc1cncc(C#N)n1)N(C)C(=O)[C@@H]1COC(=O)N1 1104544615 HPHXVNBMZYYYKH-SCZZXKLOSA-N 304.310 -0.285 30 20 DBED Cn1cc(CC(=O)NC[C@@H](O)CNc2nccnc2C#N)cn1 1105783362 XYMFQQGEUAMMCV-LLVKDONJSA-N 315.337 -0.787 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)Cc2cncnc2)cn1 1105805986 OAICOHPUPBXTAL-AWEZNQCLSA-N 312.333 -0.125 30 20 DBED CC(C)N1C[C@@H](C(=O)NC[C@]2(C)CN(CC#N)CCO2)CC1=O 1107983283 IITIBJZBWKODPY-XJKSGUPXSA-N 322.409 -0.026 30 20 DBED C=CCN1CCO[C@@](C)(CNC(=O)CCS(C)(=O)=O)C1 1108027650 WEWDYUDDFZCZII-ZDUSSCGKSA-N 304.412 -0.186 30 20 DBED Cc1nsc(NC[C@@H](C)NC(=O)[C@H]2CNC(=O)N2)c1C#N 1108076076 LIFBUINEORWTOE-HZGVNTEJSA-N 308.367 -0.079 30 20 DBED C[C@H](CNc1cnc(C#N)cn1)NC(=O)[C@@]1(C)CCNC1=O 1108105436 GMZRSXNQVHFRRS-OTYXRUKQSA-N 302.338 -0.209 30 20 DBED C=C(C)CCN1CC(N2C[C@H](NC(=O)CC(N)=O)CC2=O)C1 1108524674 AIPXZDHEMGXKEK-LLVKDONJSA-N 308.382 -0.771 30 20 DBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)COCC1CC1 1108977795 ZJYZLYUDTPEGLT-RDBSUJKOSA-N 320.393 -0.226 30 20 DBED Cc1nsc(N(C)C[C@H](C)NC(=O)Cn2ncnn2)c1C#N 1109116415 IFOOBFMWXCMRKR-QMMMGPOBSA-N 320.382 -0.049 30 20 DBED CN(C)CCC(=O)N[C@@H]1[C@H]2C[C@H]1N(c1cncc(C#N)n1)C2 1109740095 KZJPMIWBQBWUIR-JVLSTEMRSA-N 300.366 -0.007 30 20 DBED N#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCN1C(=O)CCC1=O 1110784339 GHVJPBUMAWZDLJ-UTUOFQBUSA-N 304.350 -0.229 30 20 DBED Cc1nsc(NC2(CNC(=O)C(N)=O)CCOCC2)c1C#N 1110999779 HCOFVUFBCHCXPB-UHFFFAOYSA-N 323.378 -0.114 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)CNC(N)=O)C[C@@H](C)O2 1111535918 UXKIEWFQJURQRI-GFCCVEGCSA-N 308.382 -0.630 30 20 DBED Cc1cc(=NCCN(CCO)C(=O)c2cnn[nH]2)c(C#N)c[nH]1 1111585709 JBXOGBASSVCYBN-UHFFFAOYSA-N 315.337 -0.652 30 20 DBED CCc1nc(C#N)cc(N2CCOC[C@H]2CNC(=O)COC)n1 1111655223 NKHVCTUWLZYASW-GFCCVEGCSA-N 319.365 -0.122 30 20 DBED C#CCCNC[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CNC(=O)N1)C2 1112519631 SBEDVONDQLVPNN-XEZPLFJOSA-N 304.394 -0.091 30 20 DBED C#CCNC(=O)CC(=O)N1CCN(CCn2cccn2)CC1 1112777039 XYUYNWPKQLLQTA-UHFFFAOYSA-N 303.366 -0.833 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)[C@@H](C)OCC#C)CC1 1112841841 OQOAXJCTSOPDPU-ZIAGYGMSSA-N 305.378 -0.693 30 20 DBED C[C@H](Nc1cnc(C#N)cn1)[C@@H](C)NC(=O)CCNC(N)=O 1113038069 ABIIAMJDCTVDEP-DTWKUNHWSA-N 305.342 -0.288 30 20 DBED C=CCCOCC(=O)N1CCN([C@H](C)C(=O)NC(N)=O)CC1 1113710319 KOJGLSFZKNSRCY-LLVKDONJSA-N 312.370 -0.693 30 20 DBED C[C@H](CNC(=O)[C@@H]1CCN(C)C1=O)N(C)c1ccnc(C#N)n1 1113827090 SHEBONSMOKJSBE-MNOVXSKESA-N 316.365 -0.233 30 20 DBED Cc1ccc(C(=O)NC2[C@H]3CN(CC(=O)NCC#N)C[C@H]23)cn1 1113866753 HDEZDCGUBKKMIA-STQMWFEESA-N 313.361 -0.310 30 20 DBED C#CCOCCC(=O)NC1[C@@H]2CN([C@@H](C)c3nncn3C)C[C@@H]12 1114268366 KHDRFXMQHYGRRG-YNEHKIRRSA-N 317.393 -0.038 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)c3cc[nH]c3)[C@H]2C1 1114311221 JRJLLAUSTRNRKC-DRZSPHRISA-N 300.362 -0.187 30 20 DBED N#Cc1cnc(N2C[C@@H]3C(CNC(=O)Cc4nc[nH]n4)[C@H]3C2)cn1 1114572472 QLBFKIJMCOWIKB-VXGBXAGGSA-N 324.348 -0.493 30 20 DBED N#CCNC(=O)CN1C[C@H]2C(NC(=O)c3ccc(Cl)[nH]3)[C@@H]2C1 1114795956 COQUKLNNMVUSPI-RKDXNWHRSA-N 321.768 -0.032 30 20 DBED CCc1nc[nH]c1C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1115186534 VSIJDLXNHMMIGJ-IWIIMEHWSA-N 316.365 -0.728 30 20 DBED C=CCCOCC(=O)NC1[C@@H]2CN(Cc3ncnn3C)C[C@@H]12 1115324180 MHVIUTSAGNOINR-VXGBXAGGSA-N 305.382 -0.046 30 20 DBED Cc1onc(CC(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)c1C#N 1116502422 UASFDZBYZSHVRS-JTQLQIEISA-N 303.278 -0.840 30 20 DBED C=C[C@@H](COC)NC(=O)N(C)[C@H]1CCN(S(C)(=O)=O)C1 1117714392 ZEWKGNDGKQAFCN-QWRGUYRKSA-N 305.400 -0.137 30 20 DBED CC(C)CN(CCN(C)C)C(=O)C(=O)N1CCO[C@H](C#N)C1 1117832814 YVSZECQLAMFAAY-CYBMUJFWSA-N 310.398 -0.216 30 20 DBED N#CCCC[C@H](N)C(=O)NCCCN1CCC[C@H](C(N)=O)C1 1118131023 PXHCRUSZJYCZIQ-STQMWFEESA-N 309.414 -0.289 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](O)C2)CCN1C1CC1 1119010662 PBNGCLKZSOSNFJ-CHWSQXEVSA-N 306.366 -0.832 30 20 DBED C#CCCn1nnnc1N1CCc2c(nnn2CCOC)C1 1120235707 GYVJUQDBJONITG-UHFFFAOYSA-N 302.342 -0.503 30 20 DBED C[C@@H](CN(C)C(=O)[C@@H]1CN(C)C(=O)N1)Nc1nccnc1C#N 1120408574 NVRQWKGCVVYTIG-ONGXEEELSA-N 317.353 -0.369 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)c2ccc(O)nn2)nn1 1121177181 GXDQEBCVHOZNOI-VIFPVBQESA-N 315.293 -0.953 30 20 DBED CNC(=O)CC(=O)NC[C@@H](CO)Nc1nc(C)ccc1C#N 1121371594 RADSATVBDNURSG-NSHDSACASA-N 305.338 -0.713 30 20 DBED Cc1cc(=N[C@@H](CO)CNC(=O)[C@H](O)C(C)C)c(C#N)c[nH]1 1121393322 QKADVUXVLXQOIM-TZMCWYRMSA-N 306.366 -0.411 30 20 DBED C=CCn1c(N2CCO[C@H](C(=O)NC)C2)nnc1C1(O)CC1 1121638000 VDPBLZRBPJFENQ-JTQLQIEISA-N 307.354 -0.603 30 20 DBED N#Cc1nc(=N[C@H](CO)CNC(=O)[C@H]2Cc3ccccc32)cc[nH]1 1122446095 ZPNNNTRZQPEHOS-JSGCOSHPSA-N 323.356 -0.001 30 20 DBED N#Cc1nccnc1N[C@@H](CO)CNC(=O)CCc1cnc[nH]1 1122747639 LJRUFUIEVYBQCA-LLVKDONJSA-N 315.337 -0.407 30 20 DBED CCC(=O)NCC(=O)N(C)C[C@@H](O)CNc1nccnc1C#N 1124184365 FXRMMSYSPHINQK-JTQLQIEISA-N 320.353 -0.894 30 20 DBED CN(C[C@@H](O)CNc1nccnc1C#N)C(=O)Cc1cc[nH]n1 1124185793 SHDCFULUXFVICP-NSHDSACASA-N 315.337 -0.455 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)c1nccs1 1124470787 DTVNKILMLGWLDS-VIFPVBQESA-N 318.362 -0.228 30 20 DBED C=CCCO[C@H](C)C(=O)NCCNCC(=O)NCCCOC 1124488171 LAKQXNAWVUIUSI-CYBMUJFWSA-N 315.414 -0.174 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)c1ccnnc1 1124752623 HVXCXZKMKRYIQR-NSHDSACASA-N 313.321 -0.895 30 20 DBED Cc1nc(NC[C@H](O)CN(C)C(=O)c2cnn[nH]2)ccc1C#N 1124898373 ZTFWAODKVPMPDD-NSHDSACASA-N 315.337 -0.075 30 20 DBED CN(C[C@H](O)CN(C)c1ccc(C#N)nn1)C(=O)c1cnn[nH]1 1125373710 IENBWAWZASLXIT-SNVBAGLBSA-N 316.325 -0.964 30 20 DBED CC(C)(C)[C@@H](CN=c1cc[nH]cc1C#N)NC(=O)CNC(N)=O 1125761863 ABBDRQXBQHZGSY-GFCCVEGCSA-N 318.381 -0.014 30 20 DBED CNC(=O)CC(=O)NCCN(CCOC)c1ccc(C#N)nn1 1126308506 SUCSAMCYMREESJ-UHFFFAOYSA-N 320.353 -0.947 30 20 DBED C[C@H](NC(=O)CC(N)=O)C1CCN(c2cnc(C#N)cn2)CC1 1126724427 IWNGHMVDCZFPQD-JTQLQIEISA-N 316.365 -0.055 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)c1ccnc2[nH]cnc12 1128390534 XVYXDAIVDSHERX-JTQLQIEISA-N 316.365 -0.032 30 20 DBED C=CCO[C@H](C)C(=O)N1C[C@H](n2ccnn2)[C@H](NCC#N)C1 1130151295 MQFZXOJFLKHFKF-UPJWGTAASA-N 304.354 -0.266 30 20 DBED C#CCNC[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CSC)n1 1130181221 BLTYFBKLDZGGKT-QWRGUYRKSA-N 323.422 -0.121 30 20 DBED N#CCNC(=O)CNCCNC(=O)[C@@H]1CC[C@@H]2CCCCN21 1130192662 QMBJMMOHRMXVSP-STQMWFEESA-N 307.398 -0.651 30 20 DBED C=CCN1CC[C@H](Oc2cnccc2CNC(=O)C(N)=O)C1 1130323926 YGYKWJZABPOBEX-LBPRGKRZSA-N 304.350 -0.178 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)CC)C[C@H]1c1cn(C)cn1 1130471126 PYNLRWYAYLIDSJ-GXTWGEPZSA-N 317.393 -0.537 30 20 DBED C=CCN1CCOC[C@H]1c1n[nH]c(CNC(=O)CCN(C)C)n1 1130856860 OVIMROIRYQFPOI-LBPRGKRZSA-N 322.413 -0.068 30 20 DBED C=CCN[C@@H]1CN(C(=O)CNC(C)=O)C[C@H]1c1cncn1C 1130896257 ZADAIONPMHKVSL-CHWSQXEVSA-N 305.382 -0.374 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1ccc(COC)o1 1131077221 LABRHISNFJGTGZ-NSHDSACASA-N 307.350 -0.117 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)c1cc(OC)n(C)n1 1131129765 KHULQQKHTIAEBY-JTQLQIEISA-N 309.370 -0.561 30 20 DBED CC(C)C(=O)N1C[C@H](C)O[C@]2(CCN(CC(=O)NCC#N)C2)C1 1131628652 IKVNIHLCICTSNI-BBRMVZONSA-N 322.409 -0.026 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@H](OCC)[C@H]1CCOC1 1131885156 SSLNVHAWPSOBRG-GXTWGEPZSA-N 313.398 -0.564 30 20 DBED Cc1ncc(C(=O)N[C@@H]2CC[C@@H](C)N(CC(=O)NCC#N)C2)[nH]1 1131891588 HZGFRSATUOECIF-ZYHUDNBSSA-N 318.381 -0.059 30 20 DBED C[C@H]1CCN(C(=O)CN2C(=O)CN(C)C2=O)C[C@@H]1CNCC#N 1133306893 RMCCWHZLZRYDJM-RYUDHWBXSA-N 321.381 -0.522 30 20 DBED C=CCn1cc(C(=O)N[C@H](C)C[C@@H](C)NCC(=O)NC)nn1 1135639894 SYHMEHCCTCHRFS-GHMZBOCLSA-N 308.386 -0.303 30 20 DBED C[C@@H](C[C@H](C)NC(=O)CN1C(=O)NC(C)(C)C1=O)NCC#N 1136112845 ZUUJQLCTSMAIKU-UWVGGRQHSA-N 309.370 -0.287 30 20 DBED C=CCNC(=O)CN1CCCO[C@@H](CNC(=O)[C@@H](C)C#N)C1 1149398837 PECXKLZGQFCEGG-STQMWFEESA-N 308.382 -0.345 30 20 DBED N#CCNC(=O)CNCCNC(=O)CCOc1ccccc1F 1149824503 MISUHSCNAIYOFD-UHFFFAOYSA-N 322.340 -0.060 30 20 DBED C=CCNC(=O)CNCCCNC(=O)c1cc(OC)n(C)n1 1162219009 JAKYSWAWQKFCOI-UHFFFAOYSA-N 309.370 -0.560 30 20 DBED C#CCN1CCC(CNC(=O)[C@]2(C)CNC(=O)C2)(COC)CC1 1162374069 TWQGJVBPIJJPOF-INIZCTEOSA-N 321.421 -0.009 30 20 DBED C[C@@H](C#N)C(=O)NCCC1(CNCC(=O)N2CCOCC2)CC1 1163854271 MAJAZLRVJFEYNA-ZDUSSCGKSA-N 322.409 -0.119 30 20 DBED C[C@H]1OCC[C@H]1C(=O)NCCC1(CNCC(=O)NCC#N)CC1 1167535408 KNWDECLKKPPXKF-CHWSQXEVSA-N 322.409 -0.073 30 20 DBED C#CCNC(=O)[C@H](C)NCCCC[C@@H](C)NC(=O)CNC(C)=O 1168866109 OVXTTWVNUXCSPG-OLZOCXBDSA-N 324.425 -0.475 30 20 DBED C[C@@H](CCCCNCC#N)NC(=O)Cn1ccc(=O)n(C)c1=O 1171122333 YXOLBAOTIMHDLY-LBPRGKRZSA-N 321.381 -0.665 30 20 DBED CC#CCNCCCNC(=O)CCNC(=O)c1cnccn1 1176443646 NQRSYASAYSCASX-UHFFFAOYSA-N 303.366 -0.284 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1ncc2n1CCCC2 1176512742 VQPFXIOMFVGRJZ-UHFFFAOYSA-N 317.393 -0.322 30 20 DBED C#CCCNCCCC[C@@H](C)NC(=O)[C@@H]1CCS(=O)(=O)N1 1176639204 PNCUEFUTYSNCHU-OLZOCXBDSA-N 315.439 -0.034 30 20 DBED N#CCN1CCO[C@@H]2CCN(C(=O)C(=O)NCC(F)F)C[C@@H]21 1177041250 GZHPNVUMZKMUIG-VHSXEESVSA-N 316.308 -0.807 30 20 DBED C=CCNC(=O)CNCCCCCCNC(=O)c1cn(C)nn1 1178384016 IFCQDXMKYQUBJC-UHFFFAOYSA-N 322.413 -0.003 30 20 DBED CCCN(C)CC(=O)N1CC[C@H](NCC(=O)NCC#N)[C@@H]1C 1179983112 LKKHWGPBFPCRFP-STQMWFEESA-N 309.414 -0.453 30 20 DBED C=CCNC[C@]1(C)CN(C(=O)Cn2ncn(C)c2=O)C[C@H]1C 1181952391 XSOGWKNQQNDQLG-IUODEOHRSA-N 307.398 -0.158 30 20 DBED Cc1cn(C)nc1C(=O)N1CC[C@@H](NCC(=O)NCC#N)C1 1182450261 QKIZLMNVAKQQRN-LLVKDONJSA-N 304.354 -0.828 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@@H](NCC(=O)NCC)C1 1183354074 OQCGCACXYWUWNX-KGLIPLIRSA-N 306.410 -0.589 30 20 DBED CC#CCNC[C@H]1CCN(C(=O)CN2CCOCC2=O)C[C@H]1C 1184578712 WHIICVVQTGZPOD-HUUCEWRRSA-N 321.421 -0.057 30 20 DBED C=CCOCC(=O)N1CC[C@H]2CN(CC(=O)NC(=O)NC)C[C@H]21 1187320239 NOPVJCZXCKVRFN-NWDGAFQWSA-N 324.381 -0.823 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(CCc2ccnn2C)C[C@H]1O 1192503474 FAIJCARBZYMNFK-HUUCEWRRSA-N 304.394 -0.073 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@H]1CCN(C(=O)c2nc[nH]n2)C1 1192933447 IJCQIYFBLCDMPI-MNOVXSKESA-N 304.354 -0.911 30 20 DBED CC(C)C(C)(C)C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1O 1193268237 RAZVCXHWULTCKO-VXGBXAGGSA-N 310.398 -0.530 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)c2[nH]c(C)nc2C)C1 1196228663 QHNDMXAOJSHNEJ-CHWSQXEVSA-N 306.366 -0.549 30 20 DBED C#CCNC(=O)CNC[C@H]1CN(C(=O)c2cocn2)CCCO1 1200083474 KHIBFDUPAIMVQX-LBPRGKRZSA-N 320.349 -0.755 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)[C@H]2OCCO[C@H]2C)CC1 1201102613 MQELAGDFZSCWJW-WFASDCNBSA-N 323.393 -0.880 30 20 DBED C=CCNC(=O)CN[C@H]1C[C@@H](NC(=O)CC(N)=O)C12CCC2 1202653365 HEEZRVKDCFZLIA-WDEREUQCSA-N 308.382 -0.819 30 20 DBED COCC#CCN[C@@H]1C[C@H](NC(=O)C2(C(N)=O)CC2)C12CCC2 1203339822 KCGHLAJVEKGZMW-OLZOCXBDSA-N 319.405 -0.081 30 20 DBED CC(C)OCCC(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1206137557 SSLDWPLZGFTZSG-CHWSQXEVSA-N 310.398 -0.122 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)c2n[nH]c(C)c2O)[C@H](C)C1 1206874418 RGOCPICSUKXWPH-MWLCHTKSSA-N 321.381 -0.224 30 20 DBED C=CCn1cc(C(=O)N2CCC[C@H](NC[C@@H](O)COC)C2)nn1 1210009112 CUSQHYWHTJJIEC-QWHCGFSZSA-N 323.397 -0.334 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@H]1CCCN(C(=O)c2cnn(C)n2)C1 1210115968 CRBVJFJYSCFGND-NEPJUHHUSA-N 320.397 -0.300 30 20 DBED COCC#CCN1C[C@@H](NC(=O)c2cnn(C)c2N)[C@H](OC)C1 1212145928 FALVGEOBQHHDFY-CHWSQXEVSA-N 321.381 -0.919 30 20 DBED COCC#CCN1C[C@@H](NC(=O)CN(C)C(C)C)[C@H](OC)C1 1213929590 CSQIJLRKXCGXST-HUUCEWRRSA-N 311.426 -0.208 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@H](C)NC(=O)CC)C[C@H]1C 1214691222 OJQSTCXVSSWYBW-FRRDWIJNSA-N 324.425 -0.360 30 20 DBED C#CCCN[C@@H]1CN(C(=O)CN2C(=O)NC(C)(C)C2=O)C[C@H]1C 1216675585 PBMRDFPDYYZCKF-VXGBXAGGSA-N 320.393 -0.223 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)CC1CCC1 1217594878 GZMHIIPLIHRXRD-LSDHHAIUSA-N 319.405 -0.162 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)c2cnc(C)cn2)C1 1219123126 RBYZRTUVJXDEOX-KGLIPLIRSA-N 306.366 -0.237 30 20 DBED COc1cccc(OCC(=O)N[C@@H]2CN(CC#N)C[C@@H]2O)c1 1220399571 YWGCSIHOMSQQNH-KGLIPLIRSA-N 305.334 -0.241 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)CC(=O)NCC(F)(F)F)C1 1220651626 HPXJAKHIADIELM-ZJUUUORDSA-N 323.315 -0.208 30 20 DBED COC[C@@H](C)C(=O)N1C[C@H]2CCN(CC(=O)NCC#N)C[C@H]21 1221439616 DAJPSMLGCWHMFN-JHJVBQTASA-N 308.382 -0.559 30 20 DBED C=CCNC(=O)CN1CCC(CNC(=O)Cn2cncn2)CC1 1225356743 QTBVJWFIFASTJP-UHFFFAOYSA-N 320.397 -0.592 30 20 DBED N#CCNC(=O)CN1CCC(NC(=O)[C@H]2C[C@]23CCOC3)CC1 1229927750 YIKMGPNGGUPPIJ-CJNGLKHVSA-N 320.393 -0.367 30 20 DBED CN(C[C@@H]1CCN1CC(=O)NCC#N)C(=O)c1ccnc(O)c1 1233611037 MYWDIMYMQATBDN-LBPRGKRZSA-N 317.349 -0.427 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@@H]1CN(C)C(=O)C(C)(C)C(N)=O 1235588463 IQUSBIGHYORQJD-VXGBXAGGSA-N 322.409 -0.832 30 20 DBED Cn1c(CC(=O)NCC(=O)NCC#N)nnc1-c1ccccc1 1261545168 RUEHDWVPPUJWBO-UHFFFAOYSA-N 312.333 -0.219 30 20 DBED C=CCn1nnnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1262209785 ASQWDIXETFKAMC-NSHDSACASA-N 312.399 -0.137 30 20 DBED C#CCN(C)c1nnc(C2=NNC(=O)C2)n1CCCOCC 1263359931 STCIXKZETLQMEN-UHFFFAOYSA-N 304.354 -0.002 30 20 DBED COC(=O)CN(CC#N)C(=O)CCC(=O)N1CCC(O)CC1 1319627710 XHGXDSLMTFGRTM-UHFFFAOYSA-N 311.338 -0.725 30 20 DBED COC(=O)CN(C)CCNC(=O)C#Cc1ccc2c(c1)OCO2 1319738865 YHHZKGXSSLECJS-UHFFFAOYSA-N 318.329 -0.012 30 20 DBED COC[C@H](C)n1ccc(NC(=O)C(=O)N2CCO[C@H](C#N)C2)n1 1320599270 QNUGZUTYBAGNKJ-WDEREUQCSA-N 321.337 -0.220 30 20 DBED COCCCNC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N 1322834884 CLDFWVFKASIBFM-UHFFFAOYSA-N 322.369 -0.593 30 20 DBED C=CC[C@H](CC)NC(=O)C(=O)NCCC(=O)N1CCN(C)CC1 1324681949 ZYLLTGWYLJCEAI-ZDUSSCGKSA-N 324.425 -0.262 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CC[C@](C)(CN)C2)nn1 1326582888 AEOLGQTXHCIMNS-CQSZACIVSA-N 306.370 -0.722 30 20 DBED N#CCN1CCC(NC(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 1327506209 IFNOOAFEOOPWRD-UPJWGTAASA-N 306.366 -0.473 30 20 DBED N#CCCCS(=O)(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)O 1335818689 RYPAJHXSHCTKJT-VIFPVBQESA-N 324.380 -0.806 30 20 DBED C=C[C@H](O)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1CO 1339385767 DEIGWHPSPRROJT-QWRGUYRKSA-N 300.355 -0.027 30 20 DBED C=CCn1c([C@@H]2CCC(=O)NC2)nnc1N1CCCNC(=O)C1 1339744501 MDHMKHCIRQMXCO-LLVKDONJSA-N 318.381 -0.216 30 20 DBED C=CCSCCNC(=O)C(=O)N(C)CCS(=O)(=O)CC 1341032171 QTCMUJQPDLBGFO-UHFFFAOYSA-N 322.452 -0.085 30 20 DBED CN(CCS(C)(=O)=O)C(=O)C(=O)NCc1ccc(C#N)cc1 1345746080 BXOIKYSPCHJSOY-UHFFFAOYSA-N 323.374 -0.323 30 20 DBED C#CCNCC(=O)Nc1ccc2c(=O)n(C)c(=O)n(C)c2c1 1358154841 SCDAUENPEBVKFB-UHFFFAOYSA-N 300.318 -0.602 30 20 DBED C#CCNCC(=O)NC1(C(=O)N2CCOCC2)CCCCC1 1358444845 SFEKDQJJQRPZTB-UHFFFAOYSA-N 307.394 -0.113 30 20 DBED COC(=O)N(C)CC(=O)Nc1[nH]nc(N2CCOCC2)c1C#N 1361323124 NWAZFADBDMUEIC-UHFFFAOYSA-N 322.325 -0.245 30 20 DBED COC[C@H]1CN(C(=O)Cn2cc(C#N)c(O)nc2=O)C[C@@H](C)O1 1362519778 KBQWDEGINONDMV-MWLCHTKSSA-N 322.321 -0.917 30 20 DBED N#Cc1cn(CC(=O)N2CCC[C@@H]3COC[C@@H]32)c(=O)nc1O 1363015549 XHOZPKMNOSCJQM-KOLCDFICSA-N 304.306 -0.542 30 20 DBED CN(C)C(=O)Cn1ccc(NC(=O)N2CC[C@](O)(CC#N)C2)n1 1364263111 KEDRFAIHRLVRRU-CQSZACIVSA-N 320.353 -0.146 30 20 DBED CC(=O)NCC(=O)N(C)[C@@H](C)CNC(=O)c1cc(C#N)c[nH]1 1369813446 XFZYSTRDEQCGRF-VIFPVBQESA-N 305.338 -0.401 30 20 DBED C[C@@H](CNC(=O)c1ccc2nn[nH]c2n1)NC(=O)[C@H](C)C#N 1372922534 PZNMUDCGBUNFKR-SFYZADRCSA-N 301.310 -0.253 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)CCn2cccn2)C1 1380117202 KVAGIDLTDICXAY-IUODEOHRSA-N 319.365 -0.488 30 20 DBED CN(C[C@@H](O)CNCc1cnon1)C(=O)c1cc(C#N)c[nH]1 1382402707 RMWLCKHKSZBUBL-NSHDSACASA-N 304.310 -0.508 30 20 DBED CC(=O)NCC(=O)NC[C@H](C)N(C)C(=O)c1ccc(C#N)[nH]1 1382880296 SPMCGJKHOPAWJS-VIFPVBQESA-N 305.338 -0.401 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CCCN1C(=O)c1cc(=O)n(C)cn1 1409607024 WYMXQWIFOIYALG-WDEREUQCSA-N 317.349 -0.339 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1cc(C2CC2)n(C)n1 1410123690 JWSMOTCQNKMMLS-ONGXEEELSA-N 319.365 -0.336 30 20 DBED N#Cc1ccnc(CN2CCN(CCS(N)(=O)=O)CC2)c1 1413959800 WQHMRVCGTWSWKG-UHFFFAOYSA-N 309.395 -0.641 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@@H]1CCN(C(N)=O)C1 1414301078 IGUAOLPFFYYENA-MNOVXSKESA-N 317.415 -0.297 30 20 DBED COC[C@H](C)C(=O)NCCN1CCN(C(=O)[C@H](C)C#N)CC1 1414744250 ABNVLWXAUIICSJ-OLZOCXBDSA-N 310.398 -0.311 30 20 DBED N#Cc1cn(CCNC(=O)C[C@H]2CCCC[C@@H]2O)c(=O)nc1O 1418535795 AKZNHRZWOVSQCT-PWSUYJOCSA-N 320.349 -0.122 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CCN(C(=O)c2ccoc2CC(N)=O)C1 1427406264 JGQBJLIADARULG-NXEZZACHSA-N 318.333 -0.202 30 20 DBED CC(=O)NCC(=O)NC[C@H](C)CNC(=O)c1cc(C#N)c[nH]1 1430953091 HBCYIRSIFUGRHN-VIFPVBQESA-N 305.338 -0.495 30 20 DBED CC[C@@H](CNC(=O)CNC(=O)OC)NC(=O)c1ccc(C#N)[nH]1 1432611105 KWLRRJITNQJGFV-VIFPVBQESA-N 321.337 -0.133 30 20 DBED CC(C)S(=O)(=O)CC(=O)N1CC[C@H](NC(=O)[C@@H](C)C#N)C1 1454048722 RBIGWXIJAFUXFX-QWRGUYRKSA-N 315.395 -0.314 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H](O)CNC(=O)COCC2CC2)c1 1457922836 NKDDDFDDMFCLJS-GFCCVEGCSA-N 320.349 -0.480 30 20 DBED C=CCNC(=O)CN1CCC[C@@H](NC(=O)[C@@H]2CCNC2=O)C1 1490445271 IHGWZMZRHJIARA-VXGBXAGGSA-N 308.382 -0.995 30 20 DBED C[C@@H](C#N)C(=O)NCCN1CCN(C(=O)[C@H]2CCN(C)C2)CC1 1493185780 VIZAQNNNOLOKGR-KBPBESRZSA-N 321.425 -0.642 30 20 DBED CNC(=O)[C@@H](C#N)C(=O)c1ccc(OCC(N)=O)c(OC)c1 1516657926 KJTWIWQYDBDLCJ-VIFPVBQESA-N 305.290 -0.372 30 20 DBED N#Cc1cnc(N2C[C@H]3[C@H](NC(=O)[C@@H]4C[C@@H]4C(=O)O)[C@H]3C2)cn1 1571118992 PLTWZTLOLZQOIU-OQEOFVATSA-N 313.317 -0.380 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@H](NC(=O)CNC(=O)O)C(C)C 1573348640 YRLUZKJWYCBMNR-QMTHXVAHSA-N 315.370 -0.162 30 20 DBED N#Cc1ccncc1N1CCN(S(=O)(=O)C2CNC2)CC1 1580080934 MAAXLXFDHGZNEM-UHFFFAOYSA-N 307.379 -0.623 30 20 DBED O=C(NCCN/C(O)=C1\N=CC=CC1=O)N[C@H]1[C@@H]2CNC[C@@H]21 1580689473 LQOADVKQIVSQAS-HODMWIKJSA-N 305.338 -0.970 30 20 DBED C#CC[C@H](NS(=O)(=O)c1cc(C(=O)O)ccn1)C(=O)OC 1588424043 RGLJUVCPIRMOKK-VIFPVBQESA-N 312.303 -0.377 30 20 DBED C#CCNC(=O)CNC1(CNC(=O)[C@@H]2C[C@H]2C(=O)O)CCCC1 1588484251 XDHMNHFVFMMDNB-VXGBXAGGSA-N 321.377 -0.525 30 20 DBED C=CCCC(=O)NC[C@H](O)CNc1nccnc1-c1nn[nH]n1 1588570366 KXJOHKBLAMQCDH-VIFPVBQESA-N 318.341 -0.488 30 20 DBED C[C@H](NC(=O)[C@H](C#N)Cc1ccc(-c2nn[nH]n2)cc1)C(N)=O 1589915786 OTYNWAVDEZPCCL-KWQFWETISA-N 313.321 -0.461 30 20 DBED N#CCNC(=O)CN1[C@H]2CC[C@H]1CN(C(=O)[C@H]1C[C@H]1C(=O)O)C2 1601074748 PFRZKSZQBGRWDJ-FIQHERPVSA-N 320.349 -0.978 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCN([C@@]2(C(=O)O)CCOC2)CC1 1602940353 UDXNSNIXYSSIKB-WWGRRREGSA-N 324.377 -0.035 30 20 DBED N#Cc1csc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)O)c1 1605626867 PTWBINQCMVFGET-QMMMGPOBSA-N 314.344 -0.056 30 20 DBED N#Cc1ccncc1C(=O)N1CCC[C@H](CNS(N)(=O)=O)C1 1645793013 AITBJCKCAVJSEI-SNVBAGLBSA-N 323.378 -0.401 30 20 DBED CO[C@@H](C)C(=O)NC1C[C@@H]2CC[C@H](C1)N2CC(=O)NCC#N 1752690368 JEDRHVFRERCANW-WODVXLOZSA-N 308.382 -0.227 30 20 DBED C=CCOCCN[C@H]1C[C@@H](NC(=O)CC2CS(=O)(=O)C2)C1 1752736537 CIPIYVOBPRBJRZ-BETUJISGSA-N 316.423 -0.140 30 20 DBED C#CCN1CCC(C(=O)NC[C@@H](C)N[C@H](C)C(=O)NC)CC1 1752921651 WSOSBNIRNFJOFQ-CHWSQXEVSA-N 308.426 -0.440 30 20 DBED C=CCOCCNC[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 1752970315 BROCBSHOMCYRQF-GFCCVEGCSA-N 324.381 -0.821 30 20 DBED C=CCNC(=O)[C@H](C)N(C)C[C@H]1CCN(C(=O)CNC(C)=O)C1 1753346761 LRWDRPHOANQDPZ-GXTWGEPZSA-N 324.425 -0.407 30 20 DBED C#CCNC(=O)CN1CC(NC(=O)c2ccc(COC)cc2)C1 1753393056 AMQVKPRMZVMZKG-UHFFFAOYSA-N 315.373 -0.004 30 20 DBED C#CCCN1CCO[C@@H](CNC(=O)[C@H](OC)c2cnn(C)c2)C1 1753651725 SOSYLEPWYZFHAJ-LSDHHAIUSA-N 320.393 -0.052 30 20 DBED Cc1noc(C)c1C(=O)N(C)[C@H](C)CNCC(=O)NCC#N 1753694375 WJOLPQKBTSUYOI-SECBINFHSA-N 307.354 -0.019 30 20 DBED C=CCNC(=O)CNC[C@@H](C)N(C)C(=O)c1cc2n(n1)CCO2 1753697661 YGIZTVSYADGWMO-LLVKDONJSA-N 321.381 -0.372 30 20 DBED C#CCNC(=O)CNCC[C@@H]1CCCCN1C(=O)c1cnn[nH]1 1753781865 UMAJROOLLFAZQP-LBPRGKRZSA-N 318.381 -0.472 30 20 DBED C#CCNC(=O)[C@H](C)NC/C=C\CNC(=O)C[C@H]1COC(=O)C1 1754110621 JRYWCHCYSZRHET-OEFFGFFESA-N 321.377 -0.661 30 20 DBED COCC#CCNC[C@H](C)NC(=O)C1(S(C)(=O)=O)CCC1 1754288337 LSNYRELZFIAWLH-LBPRGKRZSA-N 316.423 -0.302 30 20 DBED C[C@@H]1C[C@H](NCC(=O)NCC#N)CCN1C(=O)c1ncc[nH]1 1754592809 HDHBDLDOACEEAQ-GHMZBOCLSA-N 304.354 -0.368 30 20 DBED Cc1ncc(C(=O)N2CC[C@](C)(CNCC(=O)NCC#N)C2)[nH]1 1754690052 JYAFFTVTNQKAFE-OAHLLOKOSA-N 318.381 -0.200 30 20 DBED C#CCN1CC[C@](O)(CNC(=O)c2cnc3c(c2)nnn3C)C1 1754756427 NDRYNLOKOYIALV-HNNXBMFYSA-N 314.349 -0.837 30 20 DBED C=CCNC(=O)CN1CC(O)(CNC(=O)CCc2ccoc2)C1 1754766213 JMERIUPJTBWEDI-UHFFFAOYSA-N 321.377 -0.323 30 20 DBED C#CCN1CC(O)(CNC(=O)C2CCN(C(=O)C(C)C)CC2)C1 1754771934 RDWPFSRMUCIEPM-UHFFFAOYSA-N 321.421 -0.323 30 20 DBED Cn1cnnc1CN[C@]1(CO)CCCN(C(=O)C#CC2CC2)C1 1755083588 UORROMOCRVYYRS-MRXNPFEDSA-N 317.393 -0.328 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H](C)CN(C)C(=O)c1ccnc(O)c1 1755583245 DNZBJWKTRAAGDL-NEPJUHHUSA-N 318.377 -0.025 30 20 DBED CCCn1nnnc1CN[C@H](CO)CNC(=O)C#CC(C)(C)C 1755628530 UMBXKZQUPRMYMT-LBPRGKRZSA-N 322.413 -0.301 30 20 DBED C=C(C)CNC[C@H](O)CN(C)C(=O)[C@H]1CCc2nnnn2CC1 1755788700 YDXMWGRPZPYLHG-STQMWFEESA-N 322.413 -0.389 30 20 DBED CC#CCNC[C@H](O)CN(C)C(=O)[C@H]1CCc2cncn2C1 1755793056 MJHPJZVPWIIIHM-ZFWWWQNUSA-N 304.394 -0.122 30 20 DBED CCCC(=O)N1CCC[C@@H](C(=O)N(C)C[C@H](O)CNCC#N)C1 1755795500 HANHBYVJKPZTFF-ZIAGYGMSSA-N 324.425 -0.042 30 20 DBED CN(C)CCn1ccc(C(=O)N(C)C[C@H](O)CN(C)CC#N)n1 1755801017 SBZGSTPEVGGDIL-CYBMUJFWSA-N 322.413 -0.667 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC[C@@H]1CN(C)C(=O)c1nc[nH]n1 1755914312 FTRMCZOKTCBNOH-NWDGAFQWSA-N 319.365 -0.094 30 20 DBED Cc1nn[nH]c1C(=O)N(C)[C@H](C)CNC(=O)CSCC#N 1756007274 ZKWNXDMFJMPDOT-MRVPVSSYSA-N 310.383 -0.053 30 20 DBED C#CCCCC(=O)N[C@H](CO)CNC(=O)Cc1cc(C)on1 1756509721 VULUPWHZSGXZFP-ZDUSSCGKSA-N 307.350 -0.078 30 20 DBED O=C(C#CC1CC1)N[C@H](CO)CNC(=O)c1cncc(F)c1 1756511491 BFTBHWCWBFPHJG-ZDUSSCGKSA-N 305.309 -0.159 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H](CO)CNC(=O)/C=C/c1ccc[nH]1 1756516277 YYTPASCDBBZXNP-WDYNUWJLSA-N 319.361 -0.341 30 20 DBED C#CCOCCC(=O)NC[C@H]1CC[C@H](NC(=O)c2cnn[nH]2)C1 1756644915 OPBVVXGQKRCXIU-RYUDHWBXSA-N 319.365 -0.141 30 20 DBED C=C[C@](C)(O)CC(=O)N(C)C[C@H](O)CNC(=O)C1(CF)CC1 1756661378 YAGVWPUGXJDFOQ-RISCZKNCSA-N 316.373 -0.001 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2coc(C(N)=O)c2)C1 1757017159 ZYPYMMXFFXITAF-GHMZBOCLSA-N 321.333 -0.354 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(O)n(C)n1)CCO2 1783048297 XVZQLICOJNTUOV-OAHLLOKOSA-N 318.333 -0.798 30 20 DBED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)CCn3ccnn3)C2)C1 1784537185 BEFTVRHIWWRJGI-OAHLLOKOSA-N 317.349 -0.869 30 20 DBED C=CCC(F)(F)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN 1795529013 JOAXRLSPTRDIMG-PEGIJTEDSA-N 317.336 -0.254 30 20 DBED CCOCCC(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1846682231 MMEPPWYMHCYOQO-UHFFFAOYSA-N 308.334 -0.296 30 20 DBED CNC(=O)CN1CCN(S(=O)(=O)c2cccc(C#N)c2)CC1 78354018 SAVDQTHWUXYIRD-UHFFFAOYSA-N 322.390 -0.389 30 20 DBED CC(=O)N[C@H]1CCCN(C(=O)CO/N=C(\N)C(F)(F)F)C1 89506682 MEDUWWDVDKDHLC-QMMMGPOBSA-N 310.276 -0.035 30 20 DBED C#CCN1CCN(C(=O)Cn2cc([N+](=O)[O-])c(C)cc2=O)CC1 128685086 MOEVYCVAWRDUHP-UHFFFAOYSA-N 318.333 -0.158 30 20 DBED N/C(=N/C[C@@H]1COCCO1)N1CCN(c2ncccn2)CC1 262014414 VOCKGCZTWARWDT-GFCCVEGCSA-N 306.370 -0.671 30 20 DBED CCN1CCN(/C(=N\C)NC[C@H]2CCS(=O)(=O)C2)CC1=O 262414101 PWCDHYQDFNUOSM-LLVKDONJSA-N 316.427 -0.839 30 20 DBED C#CCOc1ccccc1CNC(=O)CNC(=O)CNC(C)=O 265193425 COFVHQBQHLNJJH-UHFFFAOYSA-N 317.345 -0.433 30 20 DBED C#CCSCCNC(=O)C(=O)Nc1cnn(CCOC)c1 265821514 VTCASEPFEDWPNW-UHFFFAOYSA-N 310.379 -0.049 30 20 DBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H]1COCCO1 268394269 QJUVBESAUFAECV-AAEUAGOBSA-N 317.349 -0.199 30 20 DBED C=CCNC(=O)c1ccc(NC(=O)NCC(=O)NCCO)cc1 269142873 LDRYZSFIMMACJS-UHFFFAOYSA-N 320.349 -0.168 30 20 DBED COC[C@](C)(C#N)NC(=O)CN1C(=O)NC2(CCCC2)C1=O 269569632 HZOKVIXNFNJALY-ZDUSSCGKSA-N 308.338 -0.104 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCCC[C@H]2[C@@H](C)O)C1=O 272279775 UKGCMUHHENJGJX-MNOVXSKESA-N 323.349 -0.275 30 20 DBED CN1CC[C@H]2CCN(C(=O)NCCn3cnc(C#N)n3)[C@@H]2C1 287934212 SDXWCZSOKBYHSF-NWDGAFQWSA-N 303.370 -0.115 30 20 DBED CN(C)CCN(C)C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 290265285 DFSHVOHQNBSHBJ-UHFFFAOYSA-N 324.406 -0.143 30 20 DBED C[C@@H](CN1CCCC1=O)/N=C(/O)N1CCS(=O)(=O)CC1 329697386 YHFBDYZNIZOUQT-JTQLQIEISA-N 303.384 -0.358 30 20 DBED COCC(=O)N1CCN(/C(O)=N/[C@@H]2CCn3ccnc3C2)CC1 330201512 XWZPFSRNTKXRKZ-GFCCVEGCSA-N 321.381 -0.098 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)NCC1(CO)CCOCC1 330371244 IECABWLVPOOYNY-LLVKDONJSA-N 305.400 -0.299 30 20 DBED CN1C(=O)N(CC(=O)NCC#CCO)C(=O)C12CCCCC2 331674205 QFJULYHQLSISJI-UHFFFAOYSA-N 307.350 -0.305 30 20 DBED COCCN1CCN(S(=O)(=O)N(C)C[C@@H](C)C#N)CC1 336912405 KARIYTDDWRLNNB-LBPRGKRZSA-N 304.416 -0.413 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@@H](CO)[C@H]1CCOC1 337166047 ZFEUOJYYUWWZMQ-AGIUHOORSA-N 319.427 -0.053 30 20 DBED CCN(CC)C[C@H](C)NS(=O)(=O)N1CCO[C@H](C#N)C1 337188599 QLGHBAOMTMKJPB-NWDGAFQWSA-N 304.416 -0.225 30 20 DBED CC1(C)CN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CC[C@@H]1O 337197037 WUNFYDFIRKGUFY-QWRGUYRKSA-N 303.384 -0.452 30 20 DBED Cc1ccc(C(=O)Nc2nn[nH]n2)cc1S(=O)(=O)NCC#N 345487858 XVUOOBQZPXKNMV-UHFFFAOYSA-N 321.322 -0.438 30 20 DBED C=CCNC(=O)CNC(=O)C(=O)Nc1cc(C(N)=O)ccc1C 347230579 LCXVWVVIRLUSRA-UHFFFAOYSA-N 318.333 -0.549 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)c2cncc(OC)n2)CC1 358547840 UEKMMKJFGDDTEU-UHFFFAOYSA-N 319.365 -0.455 30 20 DBED CNS(=O)(=O)[C@@H]1CCCN([C@H](C)C(=O)N(C)CCC#N)C1 365276535 WVQXTWUVXUWCAF-VXGBXAGGSA-N 316.427 -0.239 30 20 DBED CNS(=O)(=O)[C@@H]1CCN(S(=O)(=O)N(C)[C@H](C)CC#N)C1 369222909 CFMGYZIWRLSVII-NXEZZACHSA-N 324.428 -0.911 30 20 DBED CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@H](O)[C@H]1C(=O)OC 372556830 KUODZCLVWLPZSJ-DYEKYZERSA-N 311.382 -0.007 30 20 DBED CN(CCC#N)S(=O)(=O)N1CCOC[C@@H]1[C@H]1CCCO1 408070281 INZFNLJGWCSABK-VXGBXAGGSA-N 303.384 -0.044 30 20 DBED COC(=O)[C@H]1CNC(=O)CN1CCOc1ccccc1C#N 447908826 CBJHNLPHVNLGKP-GFCCVEGCSA-N 303.318 -0.090 30 20 DBED C#CCN1CCN(C(=O)CN2CC[C@@H](C(=O)N(C)C)C2)CC1 491788150 SBHKHSXNVRTSRE-CQSZACIVSA-N 306.410 -0.826 30 20 DBED CCN1CCO[C@H](C(=O)N(C)CCCc2[nH]nc(N)c2C#N)C1 536560744 JSTVEYCEFFXIAD-ZDUSSCGKSA-N 320.397 -0.025 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)c2ccc3nnnn3c2)C1=O 545251040 MMRFHOKZDJBDAW-LLVKDONJSA-N 300.322 -0.017 30 20 DBED Cn1c(=O)c2cc(C(=O)NCC#CCO)sc2n(C)c1=O 570056639 VWONCHUBLGXPEV-UHFFFAOYSA-N 307.331 -0.976 30 20 DBED COC(=O)[C@@H]1COCCN1Cc1cnc2c(C#N)cnn2c1 572405374 APEYGNXXEPGNBC-LBPRGKRZSA-N 301.306 -0.025 30 20 DBED COCCN(CCC#N)S(=O)(=O)N(C)[C@@H](COC)C(=O)O 577066590 IKISLSWUYQGZCJ-JTQLQIEISA-N 323.371 -0.875 30 20 DBED Cc1cc(NC(=O)N2CC(S(C)(=O)=O)C2)nn1CCC#N 584235428 SMQRSDIBRVQMIL-UHFFFAOYSA-N 311.367 0.366 30 20 DBED C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1CC[C@@](O)(CC#N)C1 592152440 XUVPIEFYYSQJSI-JMSVASOKSA-N 308.382 -0.551 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@H]1C(=O)NCC1(C)C 595351745 NQVGMAHWAWCSEM-UWVGGRQHSA-N 302.400 -0.173 30 20 DBED COC(=O)C[C@@H](O)CNC(=O)C(=O)Nc1cc(C#N)ccc1C 600056861 ADHYKKMJWXKECC-LLVKDONJSA-N 319.317 -0.155 30 20 DBED CS(=O)(=O)C1(CNC(=O)N2CCN(CCC#N)CC2)CC1 601600184 BOOUMEWDEOZYGI-UHFFFAOYSA-N 314.411 -0.196 30 20 DBED C=CCC1(O)CCN(S(=O)(=O)C[C@H]2CNCCO2)CC1 717855933 RQDLDYHVMYYZJS-GFCCVEGCSA-N 304.412 -0.292 30 20 DBED C#CCCNC(=O)NCCNc1ncccc1-c1nn[nH]n1 735375735 QLDVSFAASBFJJZ-UHFFFAOYSA-N 300.326 -0.004 30 20 DBED Cc1nn(CN2CCOC[C@@H]2C#N)c(=S)n1CC(=O)N(C)C 742164374 KMEGAQAFEWXHOP-NSHDSACASA-N 324.410 -0.007 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCC[C@H]1CS(=O)(=O)NC 749511214 FIGRGWDOXVMMLB-STQMWFEESA-N 313.423 -0.376 30 20 DBED CCOC(=O)CON=C(C(=O)NC[C@H](C)C#N)c1cc[nH]n1 772248727 XYBCEZOPDQELPO-SECBINFHSA-N 307.310 -0.031 30 20 DBED C[C@H](C#N)OCCN1CCN(C(=O)C(=O)N2CCCC2)CC1 801913882 AXQSMEZKGYIRNG-CYBMUJFWSA-N 308.382 -0.318 30 20 DBED CC(C)(C#N)C(=O)N1CCS(=O)(=NS(C)(=O)=O)CC1 816713399 NSZQWSMUADOBNE-UHFFFAOYSA-N 307.397 -0.194 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O 830770478 AIMVRPWTRLORLM-QJPTWQEYSA-N 320.345 -0.157 30 20 DBED N#C[C@H]1CNC[C@H]1NC(=O)CCCS(=O)(=O)N1CCCC1 834495662 XLTOJAGYJQPSOG-NWDGAFQWSA-N 314.411 -0.580 30 20 DBED C#CC[C@H](CO)NC(=O)CCC(C)(C)C(=O)N[C@@H](CO)CC#C 854545119 AMNIQWOUHQQAJG-ZIAGYGMSSA-N 322.405 -0.206 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2[nH]c(C)nc2C)CC1 857115978 VMYQODLAPNEMPZ-UHFFFAOYSA-N 303.366 -0.466 30 20 DBED C[C@@H](OC(=O)CN1CC(=O)N(C)C1=O)C(=O)NC1(C#N)CCC1 860305478 IOZXZFVPOQWRBS-SECBINFHSA-N 322.321 -0.625 30 20 DBED C#CCn1ccc(CN(CC)C(=O)N=c2nn[nH]n2CC)n1 888328087 BUIGAOAZBTYBDS-UHFFFAOYSA-N 302.342 -0.001 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)c2cccc(C(N)=O)n2)C1 938139730 AVHKWVGKFJQNAD-UWVGGRQHSA-N 315.333 -0.329 30 20 DBED NC(=O)[C@@H]1C[C@@H]1C(=O)NC1CCN(C(=O)C#CC2CC2)CC1 946696163 DJMMWXHINOWSKC-OLZOCXBDSA-N 303.362 -0.372 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1cnon1 952174584 OEYYJJVPEMYQPF-UMNHJUIQSA-N 306.322 -0.009 30 20 DBED Cc1nc(C)c(C(=O)NC[C@@H]2CN(CC#N)C[C@@H]2O)nc1C 958240211 YRCGSKCLKIUPGV-OLZOCXBDSA-N 303.366 -0.052 30 20 DBED CN(C(=O)c1cnn(C)c1)[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 958491419 OGRFQIGQKYAJTO-KBPBESRZSA-N 316.361 -0.523 30 20 DBED C#CCCN1C[C@@H](O)[C@@H](CNC(=O)c2cccn(C)c2=O)C1 958599386 PKQBYXUHSMYQJP-GXTWGEPZSA-N 303.362 -0.569 30 20 DBED Cc1n[nH]cc1C(=O)NC[C@@H]1COCCN1C(=O)[C@@H](C)C#N 964291389 IZXNQPKJUDIWGA-GXSJLCMTSA-N 305.338 -0.165 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(C[C@@H](NC(=O)c3cn(C)nn3)CO2)C1 965682466 CBEWHOFLOQOJMI-VHSXEESVSA-N 318.337 -0.926 30 20 DBED C[C@H](C#N)C(=O)N1CC2(C[C@@H](NC(=O)c3cccnn3)CO2)C1 965791462 MRCGAUPGDIJKLH-GHMZBOCLSA-N 315.333 -0.264 30 20 DBED C[C@@H](NC(=O)C1CC2(C1)CS(=O)(=O)C2)C1CN(CC#N)C1 969961653 NXUKLNBNXRXYLB-SNVBAGLBSA-N 311.407 -0.229 30 20 DBED CCN1CCO[C@@H](C(=O)N2CC[C@@]3(CN(CC#N)CCO3)C2)C1 972682097 CRDQIBUICXFUQH-GDBMZVCRSA-N 322.409 -0.466 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H]2C[C@H](NC(=O)Cc3nc[nH]n3)C2)c1 973141072 GCOLYAYSYDHTCL-MGCOHNPYSA-N 313.321 -0.376 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2nc[nH]n2)C1 973410787 OHWPECSZSGMMSQ-SRVKXCTJSA-N 316.365 -0.721 30 20 DBED C#CCN1C[C@@H]2CC[C@@H](NC(=O)CN3CCNC(=O)C3)C[C@H]2C1 980163947 SAGQUKXTKDTSJN-SOUVJXGZSA-N 318.421 -0.732 30 20 DBED C#CCN[C@H]1CCN(C(=O)Cn2nc3n(c2=O)CCCC3)[C@@H]1C 987314626 VXSDFLQJIDROEJ-OLZOCXBDSA-N 317.393 -0.407 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CCNC2=O)C1 997430587 KFJZGMMUZRUIBW-UPJWGTAASA-N 321.377 -0.569 30 20 DBED CC(C)N1CCO[C@@H](C(=O)NC2CN(C(=O)C#CC3CC3)C2)C1 998130962 CKRSPBHGZSJROV-OAHLLOKOSA-N 319.405 -0.164 30 20 DBED C=CCN1CC[C@H](NC2CC(N(C)C(=O)c3cnn[nH]3)C2)C1=O 999041838 JNBWGEFDYXCGDO-MCIGGMRASA-N 318.381 -0.216 30 20 DBED CCn1cc(C(=O)NCC2[C@@H]3CN(C(=O)[C@H](C)C#N)C[C@@H]23)nn1 1009464985 VESVGPLRJRBBBC-USWWRNFRSA-N 316.365 -0.108 30 20 DBED C#Cc1ccccc1CC(=O)N[C@@H]1C[C@H](C)N(C(=O)C(N)=O)C1 1013964883 CGWKRRRSNKGCAS-SMDDNHRTSA-N 313.357 -0.199 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2cccc(OCC(N)=O)c2)C1 1014615881 FTCFNUVUAMHLTB-CYBMUJFWSA-N 301.346 -0.012 30 20 DBED C[C@@H](C#N)C(=O)N1CC=C(CNC(=O)c2nnn(C)n2)CC1 1017647212 XHZZULKZDWHGJA-VIFPVBQESA-N 303.326 -0.742 30 20 DBED Cn1nnnc1CN[C@H]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 1021983966 JASJMKRSMMBDNX-AOOOYVTPSA-N 300.326 -0.540 30 20 DBED C#CCN[C@H]1C[C@@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 1022518624 QXULQDYISPOEAA-AOOOYVTPSA-N 300.326 -0.823 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC(=O)N2)C1 1024932134 UMPKLPVESNTBJQ-HBNTYKKESA-N 309.366 -0.835 30 20 DBED COCCn1nc(C(=O)NCC2CN(CC#N)C2)ccc1=O 1031829946 IVOSMBIBAAMXGX-UHFFFAOYSA-N 305.338 -0.925 30 20 DBED N#CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 1032401474 PZNILJVOAMKFME-SRVKXCTJSA-N 314.349 -0.429 30 20 DBED C#CCN1CCO[C@H](CNC(=O)[C@H]2CC(=O)N(CCC)C2)C1 1035523320 QKKFPRBJNVSGBA-UONOGXRCSA-N 307.394 -0.305 30 20 DBED Cc1nn(C)c(=O)c(C(=O)N[C@@H]2[C@H]3C[C@H]2N(CC#N)C3)c1C 1037525681 PLPBCCSXJWGMBR-DMDPSCGWSA-N 301.350 -0.277 30 20 DBED C=CCCC(=O)N1CC[C@@](O)(CNC(=O)c2cn(C)nn2)C1 1039616556 STQVJUCRYISOAW-CQSZACIVSA-N 307.354 -0.526 30 20 DBED C[C@@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)CC2(O)CCC2)C1 1040764072 UDFJTJAMJNIIFM-XHDPSFHLSA-N 309.366 -0.469 30 20 DBED C[C@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)C2=COCCO2)C1 1040764796 ZEYCBIWMXKEOTD-YGRLFVJLSA-N 309.322 -0.886 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)C[C@H]3CCCO3)C2)nn1 1040931543 XXEVBNSQOORKTF-JHJVBQTASA-N 317.349 -0.417 30 20 DBED C=CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)C[C@H](C)OC)C1 1041948642 SCBIFIAMXSMLLD-NWDGAFQWSA-N 314.382 -0.308 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)[C@]2(CC)CCNC2=O)C1 1041973021 OMHCAOVPDZWREK-MRXNPFEDSA-N 323.393 -0.442 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)COCCOC)C1 1042123620 UZELBDAPRWMPMV-UHFFFAOYSA-N 300.355 -0.695 30 20 DBED N#Cc1c[nH]c(C(=O)NCC2(O)CN(C(=O)c3ccon3)C2)c1 1042402157 VNRJOPYIHUPQKL-UHFFFAOYSA-N 315.289 -0.509 30 20 DBED CN1CC[C@@H](N2CC(N(C)C(=O)c3ccc(C#N)[nH]3)C2)C1=O 1042628149 CPGISVKYPCNYJH-CYBMUJFWSA-N 301.350 -0.127 30 20 DBED Cn1nncc1C(=O)N1CC(O)(CNC(=O)C#CC(C)(C)C)C1 1042966229 SQHYHGGPNGEIBI-UHFFFAOYSA-N 319.365 -0.832 30 20 DBED C=CC(C)(C)CC(=O)NCC1(O)CN(C(=O)Cc2nc[nH]n2)C1 1043207089 MHQAGBGAADZDAJ-UHFFFAOYSA-N 321.381 -0.361 30 20 DBED Cn1cc(C(=O)N[C@@H]2CN(c3ccc(C#N)nc3)C[C@@H]2O)nn1 1043928816 HRKYLCHQFPHXJC-YPMHNXCESA-N 313.321 -0.939 30 20 DBED CCc1ncncc1C(=O)N1CC(O)(CNC(=O)[C@@H](C)C#N)C1 1045554710 HSEAHMFZACJVFQ-JTQLQIEISA-N 317.349 -0.498 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)C2(CF)CC2)C1 1046354171 IPMRPITVACJNQV-UHFFFAOYSA-N 312.341 -0.535 30 20 DBED CN(C(=O)C#CC1CC1)[C@H]1CN(C(=O)c2ccnn2C)C[C@@H]1O 1048821327 KFDKOMPEXFCJRH-KBPBESRZSA-N 316.361 -0.523 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C2(N(C)C)CCC2)C1 1048981681 DJZCOMHMXVNTTN-AGIUHOORSA-N 322.409 -0.340 30 20 DBED Cn1cnn(CCC(=O)N2CCC[C@@H]3[C@@H]2CCN3CC#N)c1=O 1049613027 ORVNLXKNJZGDEN-OLZOCXBDSA-N 318.381 -0.439 30 20 DBED N#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C1CC(=O)NC(=O)C1 1049781380 DFHXFENEXNEOTP-VXGBXAGGSA-N 304.350 -0.372 30 20 DBED N#Cc1nccc(N2CC[C@H](NC(=O)c3ccon3)[C@H](O)C2)n1 1051631983 NCJVIBUPWVSRNJ-GXSJLCMTSA-N 314.305 -0.294 30 20 DBED N#Cc1nccnc1N1CC[C@H](NC(=O)c2ccon2)[C@H](O)C1 1051632392 PYMPBMKHLSPFIT-JOYOIKCWSA-N 314.305 -0.294 30 20 DBED C#CCCCC(=O)N1C[C@H](C)[C@H](CNC(=O)Cn2cnnn2)C1 1052470250 BMOAUGKEGYCVCR-QWHCGFSZSA-N 318.381 -0.313 30 20 DBED C=C(C)CCN1CC2(C1)CN(C(=O)[C@H]1CNC(=O)N1)CCO2 1053402270 JIPJBJKLACFKHK-GFCCVEGCSA-N 308.382 -0.453 30 20 DBED CCN1C[C@H](C(=O)NC[C@@H]2CCC3(CN(CC#N)C3)O2)CC1=O 1053605899 DBZZHRPYRZQCIL-OLZOCXBDSA-N 320.393 -0.272 30 20 DBED C=C(C)CCC(=O)N1C[C@H]2CN(C(=O)[C@H]3CNC(=O)N3)C[C@H]2C1 1055361544 BHUIAICDUWNGCQ-FRRDWIJNSA-N 320.393 -0.059 30 20 DBED C=CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)[C@H]1CCCO1 1056898097 NNHNADZNNAEVQR-QWHCGFSZSA-N 314.382 -0.306 30 20 DBED CN(c1ccc(C#N)nn1)[C@@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 1056910287 PQMLQTDGNMMUNC-MNOVXSKESA-N 316.321 -0.506 30 20 DBED C#CCO[C@H](C)C(=O)NCCN(CCO)C(=O)c1cc(C)no1 1056948572 HNYDFXMPAJHGDW-GFCCVEGCSA-N 323.349 -0.428 30 20 DBED CN(c1ccnc(C#N)n1)[C@@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 1056998086 OVUMBRCWPVBLHY-MNOVXSKESA-N 314.349 -0.479 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)c1cc(C)[nH]n1 1057099266 DMLLFFPAQNUKFD-UHFFFAOYSA-N 310.354 -0.529 30 20 DBED Cc1nnccc1C(=O)NCCN(CCO)C(=O)C#CC(C)C 1057517407 SJOBVJLWJBUUAR-UHFFFAOYSA-N 318.377 -0.005 30 20 DBED O=C(C[C@@H]1CCCO1)NCCN(CCO)C(=O)C#CC1CC1 1057531033 CPDXQNUTMGFUAP-AWEZNQCLSA-N 308.378 -0.094 30 20 DBED CCn1ccc(C(=O)N(CCO)CCNC(=O)[C@H](C)C#N)n1 1057570317 NIPSUCOUXYOGDP-LLVKDONJSA-N 307.354 -0.387 30 20 DBED Cc1cc(C#N)nc(N2CC[C@H](NC(=O)Cc3nc[nH]n3)C2)n1 1058443863 VVNMQYJWHGOFAN-JTQLQIEISA-N 312.337 -0.288 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)c1cncc(F)c1 1058652772 DVBBKMXBMKIMIT-SNVBAGLBSA-N 308.313 -0.069 30 20 DBED CN1CC[C@H](C(=O)N[C@H]2C[C@H](N=c3cc[nH]c(C#N)n3)C2)C1 1059231684 ZBFPXRDUQZDRFV-SRVKXCTJSA-N 300.366 -0.219 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCOC[C@@H]1CNC(=O)c1cn[nH]c1 1061331628 LRNOQJFZTNYWGN-AAEUAGOBSA-N 320.349 -0.595 30 20 DBED N#Cc1cncc(N2CCC[C@@H]2CNC(=O)[C@H]2COC(=O)N2)n1 1061353412 JNRJPVCLBBSUJK-GHMZBOCLSA-N 316.321 -0.458 30 20 DBED N#Cc1cnccc1N1CC[C@H](CNC(=O)[C@H]2CNC(=O)N2)C1 1061717629 GFRVBJMIGSUZNE-ZYHUDNBSSA-N 314.349 -0.423 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)COCC(F)F 1061854455 ZSQXYLZULVOKQX-UWVGGRQHSA-N 319.308 -0.229 30 20 DBED C[C@@H](C#N)C(=O)N1CCCC[C@@H]1CNC(=O)C1(C(N)=O)CC1 1062333284 LYKAFEOCUHFZJB-WDEREUQCSA-N 306.366 -0.091 30 20 DBED C=CCOCC(=O)NCC1(NC(=O)c2ncn(C)n2)CCC1 1062702918 JJMBUHPLHJKSLX-UHFFFAOYSA-N 307.354 -0.214 30 20 DBED C[C@H](Nc1nccnc1C#N)[C@@H]1CCCN(C(=O)C(N)=O)C1 1063904769 PQUNARPGAGCMQB-VHSXEESVSA-N 302.338 -0.127 30 20 DBED C=CCO[C@@H](C)C(=O)NC1(CNC(=O)[C@H]2CNC(=O)N2)CCC1 1064270235 HSAMFAOWYYUVHB-WDEREUQCSA-N 324.381 -0.586 30 20 DBED N#Cc1nccnc1N1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1cnnc(O)c1 1064310549 XAWRTORZXKFEMK-SUZMYJTESA-N 323.316 -0.149 30 20 DBED COCC(=O)N[C@@H](C)C(=O)NC1(CNC(=O)[C@@H](C)C#N)CCC1 1064311045 WFAKLUGKBPOQOV-QWRGUYRKSA-N 324.381 -0.548 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)CCOC)CCO1 1064706564 VXXVLDXGPIPIRC-LBPRGKRZSA-N 300.355 -0.431 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(C(=O)c2ncc[nH]2)CCO1 1065123762 FWKWWBRNTSJFIH-GFCCVEGCSA-N 320.349 -0.593 30 20 DBED C[C@]1(NC(=O)[C@@H]2CNC(=O)N2)CCN(c2ccc(C#N)nc2)C1 1065326862 SHCPKQXUFBEVHA-WFASDCNBSA-N 314.349 -0.280 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CN(C(=O)c2ccncn2)CCO1 1065506517 ZPKNNLBEZCBVIC-QWRGUYRKSA-N 303.322 -0.407 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H](NC(=O)CS(C)(=O)=O)CC1 1065938526 HFTXNSYFALDICB-WDEREUQCSA-N 315.395 -0.312 30 20 DBED CNC(=O)NCCC(=O)N[C@H]1CCCN(C(=O)[C@H](C)C#N)CC1 1066131517 PBRMGXLTXNJMJR-NEPJUHHUSA-N 323.397 -0.038 30 20 DBED Cn1cc(C(=O)NCC2[C@H]3CN(c4cnc(C#N)cn4)C[C@H]23)nn1 1068170114 ZULILNPLBLYWBX-VXGBXAGGSA-N 324.348 -0.411 30 20 DBED C=CCCOCC(=O)N1CC2(C[C@H](NC(=O)COC)CO2)C1 1068654700 PGTJLIPXNQDMRO-LBPRGKRZSA-N 312.366 -0.288 30 20 DBED C=CCCC(=O)N[C@@H]1COC2(C1)CN(C(=O)[C@@H]1COCCO1)C2 1068746649 BFXTWPQLIRFCMG-STQMWFEESA-N 324.377 -0.146 30 20 DBED C[C@H]1[C@H](N=c2cc[nH]c(C#N)n2)CCN1C(=O)Cn1cncn1 1068847136 WXHWQYMFCDVZAW-WDEREUQCSA-N 312.337 -0.537 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1COC2(C1)CN(C(=O)CC(C)(C)O)C2 1069004305 VHKCMSGFBJNDSN-QWRGUYRKSA-N 309.366 -0.207 30 20 DBED CC#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2cocn2)C1 1069903204 KOYKUSOWVLKZNH-YPMHNXCESA-N 300.322 -0.055 30 20 DBED C#CCOCCC(=O)N1CCC[C@@H](NC(=O)CN(C)C(C)=O)C1 1070729744 ZEOWDIGGGKSPCU-CQSZACIVSA-N 323.393 -0.388 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)[C@H](C)n4cncn4)C[C@@]3(C1)O2 1070790592 ZTJZYOXAVDFNET-TTZDDIAXSA-N 315.377 -0.226 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)CCc4cnn[nH]4)C[C@@]3(C1)O2 1070857008 MYVNUJDZPLKDMQ-JGGQBBKZSA-N 315.377 -0.328 30 20 DBED C#CCCCCC(=O)N[C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1C 1071573826 HWNRFCYJFWWXCG-VXGBXAGGSA-N 308.382 -0.189 30 20 DBED CNC(=O)NCCC(=O)N[C@H]1CN(C(=O)C#CC(C)C)C[C@H]1C 1072034752 CLUFHLOYHNSJRY-OLZOCXBDSA-N 322.409 -0.072 30 20 DBED C=CCCOCC(=O)N1C[C@H](C)[C@H](NC(=O)C2(C(N)=O)CC2)C1 1072335690 FXNNHBXLHBVGFC-NWDGAFQWSA-N 323.393 -0.192 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(C)(NC(=O)CC(N)=O)CC1 1073264565 OUPYJGXTBPWRLD-NEPJUHHUSA-N 323.393 -0.050 30 20 DBED N#CCN1CCCO[C@H](CNC(=O)[C@H]2CCCS2(=O)=O)C1 1073896015 IYXFHIRTQGYZJR-VXGBXAGGSA-N 315.395 -0.706 30 20 DBED CC#CCN1CCO[C@@H]2CCN(C(=O)C3CN(C(C)=O)C3)C[C@@H]21 1074226386 OQFHVZKYSSBWAR-JKSUJKDBSA-N 319.405 -0.210 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)[C@@]12COC[C@@H]1C2 1076850938 MQDLWGAPFXPUAV-MKBNYLNASA-N 321.377 -0.827 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)CN2C(=O)CC(C)(C)C2=O)C1 1076995569 HCXIMKWACDDGTI-GHMZBOCLSA-N 309.366 -0.881 30 20 DBED N#Cc1ccc(CN2C[C@@H](O)[C@H](NC(=O)c3cnn[nH]3)C2)cc1 1077287258 QZCHABHPIAFLTF-ZIAGYGMSSA-N 312.333 -0.349 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2COCCN2CC2CCC2)C1 1077447530 BRUZNDLSXNQEGT-OWCLPIDISA-N 323.437 -0.165 30 20 DBED C#CCN[C@H]1C[C@@H](NC(=O)Cn2ccc(O)nc2=O)C12CCC2 1078673523 ROPKQWRFIWFDNY-NWDGAFQWSA-N 316.361 -0.401 30 20 DBED CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)CN2C(=O)CCC2=O)C1 1080416813 QVZQVJWTCAARAW-SNVBAGLBSA-N 320.349 -0.646 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)Cc2ncc[nH]2)C[C@H]1O 1081336486 ZCAPVFSTPMWTJD-VXGBXAGGSA-N 306.366 -0.146 30 20 DBED Cc1c[nH]nc1C(=O)N1C[C@@H](O)[C@@H](CNC(=O)C#CC(C)C)C1 1081462549 BPOJAFWWRUNHDK-QWHCGFSZSA-N 318.377 -0.073 30 20 DBED C#CCCCC(=O)N1C[C@H](CNC(=O)Cn2nccn2)[C@@H](O)C1 1081516938 KVMYKQHYNHLBQI-STQMWFEESA-N 319.365 -0.983 30 20 DBED C=CC(C)(C)C(=O)NC[C@H]1CN(C(=O)c2cnn(C)n2)C[C@@H]1O 1081640686 PNWOFHFNZXVZGY-JQWIXIFHSA-N 321.381 -0.424 30 20 DBED C=CCCN1C[C@@H](NC(=O)c2cn(CCOC)nn2)[C@H](OC)C1 1081652016 JZHNBKSVYJHPJR-TZMCWYRMSA-N 323.397 -0.070 30 20 DBED C#CCCN1C[C@@H](NC(=O)c2cc(OC)ncn2)[C@H](OC)C1 1081676050 RRLPIQVCUUKHIB-CHWSQXEVSA-N 304.350 -0.063 30 20 DBED C=CCCC1(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C(N)=O)C2)CC1 1081719286 PBKJXJALIFGRIR-WDEREUQCSA-N 309.366 -0.846 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1nc2ncc(C)cn2n1 1081833800 COOQRKCSBVLVIW-GHMZBOCLSA-N 315.337 -0.615 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@@H]1CCc2n[nH]cc2C1 1082324344 LHWQDMCJKNVHSE-LERXQTSPSA-N 303.366 -0.146 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cnn2ccncc12 1083107005 HVRAFHXQFXVRIR-UONOGXRCSA-N 312.333 -0.222 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)Cn2ncc3cccnc32)C1 1083651619 CPMVRPUTWFVGIA-KGLIPLIRSA-N 313.361 -0.384 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)c2c(O)nnc(C)c2C)C1 1083689397 RVVCBWHCUBQGFN-NEPJUHHUSA-N 304.350 -0.403 30 20 DBED C#CCN[C@@H]1CC[C@H](CNC(=O)[C@H]2CN(C(C)=O)CCO2)C1 1086867006 MOWYMARDKSUUIW-RRFJBIMHSA-N 307.394 -0.259 30 20 DBED CC#CCN1CC[C@H](NC(=O)CN2CC(=O)N(C)C2=O)[C@H]1CC 1087794377 JFUHWSZXEJSTPS-QWHCGFSZSA-N 320.393 -0.127 30 20 DBED C#CCCN1CC[C@H](NC(=O)CN2CCN(C)C(=O)C2)[C@H]1C 1088680050 BUGHOCVXLCJVAG-KGLIPLIRSA-N 306.410 -0.637 30 20 DBED CC(=O)NCC(=O)N1CC[C@H](Nc2cnc(C#N)cn2)[C@@H]1C 1090195538 XHFLJARMJHICBO-CABZTGNLSA-N 302.338 -0.114 30 20 DBED CCC[C@H](OC)C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1O 1090511726 VKUPREMNBFHTQY-UPJWGTAASA-N 319.365 -0.171 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CN2CCCCCC2=O)[C@@H](O)C1 1090790020 KSZWHKOQNVQVMZ-CABCVRRESA-N 321.421 -0.036 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CN(c2cccc(F)c2C#N)C[C@@H]1O 1091062428 QDHJFKCTVHPTEA-OCCSQVGLSA-N 320.324 -0.501 30 20 DBED CC[C@@H]1[C@@H](NC(=O)CNC(N)=O)CCN1c1nccnc1C#N 1091754353 BKUKRVWVUIPUPB-GXSJLCMTSA-N 317.353 -0.510 30 20 DBED CCC(=O)NCC(=O)N[C@H]1CCN(c2cnc(C#N)cn2)[C@@H]1C 1091944242 VSUSTKGHCGTXCS-PWSUYJOCSA-N 316.365 -0.042 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)Cc3ncc[nH]3)c3nccn32)C1 1092404148 NYEBKNVSJLESCK-NSHDSACASA-N 311.349 -0.056 30 20 DBED C#CCNC(=O)CC(=O)N1CCN(c2nc(CC)ns2)CC1 1093148697 NENKRYQQRUBMEX-UHFFFAOYSA-N 321.406 -0.111 30 20 DBED Cc1cc(=NCCNC(=O)C(=O)NCC2CC2)c(C#N)c[nH]1 1093810316 HKEBCNADRUSXRU-UHFFFAOYSA-N 301.350 -0.262 30 20 DBED COc1nn(C)cc1C(=O)NCCNc1cncc(C#N)n1 1094033583 SQIUCXSJABVEFK-UHFFFAOYSA-N 301.310 -0.068 30 20 DBED N#CCN1CC(n2cc(CNC(=O)[C@@H]3C[C@@]34CCOC4)nn2)C1 1094334558 VWKNNMPOGVBBRO-DZGCQCFKSA-N 316.365 -0.299 30 20 DBED N#CCN1CC(n2cc(CNC(=O)[C@@H]3C[C@]34CCOC4)nn2)C1 1094334577 VWKNNMPOGVBBRO-ZFWWWQNUSA-N 316.365 -0.299 30 20 DBED C#CCN1CCN(C(=O)[C@H]2CC23CC3)[C@@H]2CS(=O)(=O)C[C@@H]21 1094663790 WCZQHKQNMHCARK-FRRDWIJNSA-N 308.403 -0.271 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)c3cnn(C)c3C)CC2=O)C1 1094702474 AKSQXHZETDOFNW-GFCCVEGCSA-N 317.393 -0.071 30 20 DBED CN1C[C@@H](C(=O)NCCCNc2ccc(C#N)nc2)NC1=O 1094708776 DGLSAHVKXKTIQU-LBPRGKRZSA-N 302.338 -0.105 30 20 DBED C=C(Cl)CN1CC(N2C[C@H](NC(=O)c3cnn[nH]3)CC2=O)C1 1094753569 OADPUKHWEIKZIY-SECBINFHSA-N 324.772 -0.428 30 20 DBED CCc1ncoc1C(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1 1094782962 IJMPFGOEDDYVJT-SNVBAGLBSA-N 317.349 -0.225 30 20 DBED CC(=O)N[C@H](C)C(=O)N1CC[C@@H](N=c2cc[nH]c(C#N)n2)C1 1095009763 KUEOUCJNBJCJQW-MWLCHTKSSA-N 302.338 -0.692 30 20 DBED CCN(CCCNC(=O)[C@@H]1CCNC1=O)c1nccnc1C#N 1095942748 OFLJRQGMCKDBFC-NSHDSACASA-N 316.365 -0.183 30 20 DBED N#Cc1nccnc1N1CC[C@H](NC(=O)CCc2cnn[nH]2)C1 1096489487 SVLGTWXFOOAHFQ-NSHDSACASA-N 312.337 -0.206 30 20 DBED N#Cc1cnc(N[C@@H](CNC(=O)Cn2cnnn2)C2CC2)cn1 1096568544 ZSVKOHAPIHSXSZ-NSHDSACASA-N 313.325 -0.658 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H](CNC(=O)[C@H]1CNC(=O)N1)C1CC1 1096801226 XIMSXLGFVOTJLQ-QWHCGFSZSA-N 314.349 -0.637 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1CCN(C(=O)C(=O)NCC2CC2)C1 1096953722 MSBIZYZRPYHEQK-ZDUSSCGKSA-N 313.361 -0.086 30 20 DBED N#Cc1nc(=N[C@H]2C[C@H](NC(=O)CCCCC(N)=O)C2)cc[nH]1 1097059652 BDFCDKNLCDMZTQ-XYPYZODXSA-N 316.365 -0.125 30 20 DBED C[C@@H](CNC(=O)c1nnc(O)nc1O)Nc1ccc(C#N)nc1 1098435832 SMAJYMRRJLEHJC-ZETCQYMHSA-N 315.293 -0.220 30 20 DBED C[C@@H](C(=O)N1CCC(N(CC#N)CCO)CC1)[C@@H]1CCC(=O)N1 1098485079 KQHZGISWQNWART-OCCSQVGLSA-N 322.409 -0.290 30 20 DBED Cc1occc1C(=O)N[C@@H]1CCN(CC(=O)NCC#N)C[C@H]1O 1099644936 LTRMJILKFNSXQU-CHWSQXEVSA-N 320.349 -0.607 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)c2cc(C)on2)[C@@H](O)C1 1099651626 WFFIDICIUMFMNG-YPMHNXCESA-N 322.365 -0.550 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(CCn2cccn2)C[C@@H]1O 1099738898 UCOGTYPMAHFKJJ-KBPBESRZSA-N 308.382 -0.363 30 20 DBED CN(C(=O)CN1CC[C@H](NC(=O)C#CC2CC2)[C@@H](O)C1)C1CC1 1099823665 HGCWMWNWCZBJNR-GJZGRUSLSA-N 319.405 -0.428 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2c(C)ncn2C)[C@@H](O)C1 1099885619 POGVCOYVLPQDKB-KGLIPLIRSA-N 320.393 -0.457 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)Cn2nccc2C)[C@H](O)C1 1100022080 GWVAHLMBJDHUOK-LSDHHAIUSA-N 322.409 -0.054 30 20 DBED CN1CCC(OCC(=O)N[C@H]2CCN(CC#N)C[C@H]2O)CC1 1100056406 UORDIIQYJGGPEE-UONOGXRCSA-N 310.398 -0.828 30 20 DBED C=C(C)CCN1CC[C@H](NC(=O)CS(=O)(=O)NC)[C@H](O)C1 1100117036 AUVMWSLKYRMWSH-NWDGAFQWSA-N 319.427 -0.947 30 20 DBED C[C@@H](C#N)C(=O)NCC1CC(NCC(=O)NC(=O)NC2CC2)C1 1100191308 GJQMZMRRSNYXNM-BMQDGWLCSA-N 321.381 -0.381 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CCN(c2nccn3nnnc23)C1 1100949391 AOXYUGMZMPWKOD-UWVGGRQHSA-N 300.326 -0.379 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CCN(c2nccn3nnnc23)C1 1100949392 AOXYUGMZMPWKOD-VHSXEESVSA-N 300.326 -0.379 30 20 DBED C=CCCOCC(=O)NCC1CC(N[C@@H]2CCC(=O)NC2=O)C1 1101055008 CWLHTCSFWSJTIT-WXRRBKDZSA-N 323.393 -0.131 30 20 DBED COCC#CCN1C[C@@H](C)[C@H](CNC(=O)[C@H]2COC(=O)N2)C1 1101927408 DIABFSYISUDEOG-JHJVBQTASA-N 309.366 -0.571 30 20 DBED C[C@@H](CC(N)=O)C(=O)N(C)[C@H]1CCN(c2nccnc2C#N)C1 1102751972 BPWOIFIQIBAXAN-QWRGUYRKSA-N 316.365 -0.103 30 20 DBED C#CCOCCC(=O)NC[C@H](CC)Nc1ccc2nnnn2n1 1103193368 RNMFGDYOKSQJCP-NSHDSACASA-N 317.353 -0.134 30 20 DBED N#Cc1nccc(N2CCC[C@@H]2CCNC(=O)CC(N)=O)n1 1103738707 YYFLDSSPDXBZIB-SNVBAGLBSA-N 302.338 -0.301 30 20 DBED C[C@H](CNc1cnc(C#N)cn1)N(C)C(=O)Cn1nccn1 1104701284 DIEOMSXWVCXJJG-SNVBAGLBSA-N 300.326 -0.101 30 20 DBED C#CCNC1CCC2(CC1)CN(C(=O)[C@H](C)NC(N)=O)CCO2 1105467936 ORKXDRLKBGVVJV-FUJMWEONSA-N 322.409 -0.194 30 20 DBED C[C@H](NC(N)=O)C(=O)N1CCOC2(CCC(NCC#N)CC2)C1 1105468027 UBXBHXDYRTUTLJ-BZUNDVKYSA-N 323.397 -0.303 30 20 DBED CCc1nc(C#N)cc(NC[C@@H](O)CNC(=O)[C@@H](C)OC)n1 1105731631 DSYCWCJYFMZZPO-MWLCHTKSSA-N 307.354 -0.165 30 20 DBED C=CCCC(=O)NC[C@@H](O)CNc1nc(O)c2cnn(C)c2n1 1105739538 NHMAHTQTHHRYPV-SECBINFHSA-N 320.353 -0.076 30 20 DBED COC(=O)c1cnc(NC[C@@H](O)CNC(=O)[C@@H](C)C#N)nc1 1105773730 MHIXQSRMEIXCAC-WPRPVWTQSA-N 307.310 -0.688 30 20 DBED Cn1nncc1C(=O)NC[C@@H](O)CNc1ccc(C#N)nc1 1105834171 WCPMRSLEPXBGPM-NSHDSACASA-N 301.310 -0.715 30 20 DBED Cn1ccc(C(=O)NC[C@H](O)CNc2cnc(C#N)cn2)n1 1105856028 MKBQSAMSTWYXNF-SNVBAGLBSA-N 301.310 -0.715 30 20 DBED CCN(C)CCC(=O)NC[C@@H](O)CN=c1cc[nH]cc1C#N 1105944309 MGDYASGCHALQDH-ZDUSSCGKSA-N 305.382 -0.394 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)nn1 1106110172 IPTZCDGIBWZLRR-LPWJVIDDSA-N 317.349 -0.195 30 20 DBED C[C@@H](CCNc1nccnc1C#N)NC(=O)[C@H]1C[C@H]1C(N)=O 1106568794 BZLBCVXESFHVLR-AEJSXWLSSA-N 302.338 -0.224 30 20 DBED CC(=O)N(C)CC(=O)NC/C=C/CNc1cnc(C#N)cn1 1107049047 IGUSSQHBLDTYIP-ONEGZZNKSA-N 302.338 -0.089 30 20 DBED C=CCOCCN1CCO[C@@](C)(CNC(=O)c2nnn(C)n2)C1 1108137459 ZTKAZVSXRPIKCR-AWEZNQCLSA-N 324.385 -0.767 30 20 DBED C[C@@H](CNc1ccc(C#N)nn1)NC(=O)[C@H]1CCCS1(=O)=O 1108405415 AQWGRQLSEYBCNI-GXSJLCMTSA-N 323.378 -0.158 30 20 DBED C[C@@H](O)CN1CC(N2C[C@@H](NC(=O)C#CC3CC3)CC2=O)C1 1108545302 RUNJMFQEDFWFFI-YPMHNXCESA-N 305.378 -0.818 30 20 DBED N#CCSCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1nc(O)n[nH]1 1108951922 KROGDLOGRRNSMD-UTLUCORTSA-N 322.394 -0.011 30 20 DBED C[C@@H](CN(C)c1nccnc1C#N)NC(=O)[C@H]1CCC(=O)N1C 1109187450 KFJYXXKOIYCEQW-CMPLNLGQSA-N 316.365 -0.090 30 20 DBED C[C@H](CN(C)c1nccnc1C#N)NC(=O)[C@H]1C[C@H]1C(N)=O 1109242185 FOAWYMMBNDTVFV-BBBLOLIVSA-N 302.338 -0.589 30 20 DBED N#Cc1nccnc1NC1(CNC(=O)C[C@H]2CCNC2=O)CC1 1110250358 FXBVFFMBWBOCJK-SNVBAGLBSA-N 314.349 -0.065 30 20 DBED Cn1ncnc1COCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC#N 1111212296 SKMPFLHEPGRWCW-UTUOFQBUSA-N 304.354 -0.423 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNc1ncnc2c1cnn2C 1111436213 WEANDDTZGAKSIT-SNVBAGLBSA-N 317.353 -0.244 30 20 DBED N#Cc1cnc(NCCN(CCO)C(=O)c2ccon2)cn1 1111438082 JAZSLRXHOHPMBL-UHFFFAOYSA-N 302.294 -0.117 30 20 DBED C#CCCCC(=O)N(CCO)CCNc1ccc2nnnn2n1 1111467049 TWRMPYKARDPGMN-UHFFFAOYSA-N 317.353 -0.444 30 20 DBED CCc1nc(C#N)cc(NC2(CNC(=O)C(N)=O)CCC2)n1 1111899738 MBUJNZVGVXKFPO-UHFFFAOYSA-N 302.338 -0.153 30 20 DBED CNC(=O)CC(=O)N[C@H]1CCCN(c2ccc(C#N)nn2)CC1 1111982787 AIJHICUZJYCUNT-NSHDSACASA-N 316.365 -0.041 30 20 DBED CN(CCCN(C)c1ccnc(C#N)n1)C(=O)Cn1ncnn1 1112131926 YOOFTSDVIBVRCP-UHFFFAOYSA-N 315.341 -0.680 30 20 DBED N#CCNC[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CC(=O)NC(=O)N1)C2 1112536846 CDGPUZWTHWTNLR-PGUXBMHVSA-N 319.365 -0.674 30 20 DBED N#Cc1c(F)cccc1N1C[C@@H](O)[C@H](CNC(=O)CC(N)=O)C1 1112723584 YADXMDOUOANNHG-NOZJJQNGSA-N 320.324 -0.514 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)Cc2cc[nH]n2)CC1 1112737061 QSILSAUQXOOWEH-GFCCVEGCSA-N 305.382 -0.213 30 20 DBED C#CCCCCC(=O)N1CCN(Cc2nc(=O)n(C)[nH]2)CC1 1112772947 UPVVKUHGKRWODL-UHFFFAOYSA-N 305.382 -0.054 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)C(C)(C)N(C)CC)CC1 1113032731 DOMNJIDVQYZMLO-UHFFFAOYSA-N 308.426 -0.390 30 20 DBED CC(=O)N[C@@H](C)C(=O)NC[C@H](C)N(C)c1nccnc1C#N 1113508309 HUONONZHGVEZLP-UWVGGRQHSA-N 304.354 -0.186 30 20 DBED C[C@@H](CNC(=O)c1ncn(C)n1)N(C)c1cncc(C#N)n1 1113582859 QOTBRIWXDCPERY-VIFPVBQESA-N 300.326 -0.269 30 20 DBED COCC#CCN1C[C@@H]2C(NC(=O)CN3CCCC3=O)[C@H]2C1 1113833373 CACHWIVIHAMMEO-STQMWFEESA-N 305.378 -0.695 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)Cc3cnn(C)c3)[C@@H]2C1 1113993457 YPRUAYGMRXVMHD-ZIAGYGMSSA-N 302.378 -0.341 30 20 DBED CNC(=O)CC(=O)NCCOCCN(C)c1ccncc1C#N 1115196073 VNNJXSJFSLCVDS-UHFFFAOYSA-N 319.365 -0.342 30 20 DBED CN(CCOCCNC(=O)c1nc[nH]n1)c1ncccc1C#N 1115225812 FSHBRBVFXXHUDX-UHFFFAOYSA-N 315.337 -0.046 30 20 DBED C=CCCN1C[C@@H]2C(NC(=O)CCS(=O)(=O)N(C)C)[C@H]2C1 1115282134 JFESKLCSMXJBBJ-RYUDHWBXSA-N 315.439 -0.110 30 20 DBED CCN(C)S(=O)(=O)NCCN/C(O)=C1\N=CC=CC1=O 1116169682 KNFPLQZZUXFTCC-ZHACJKMWSA-N 302.356 -0.701 30 20 DBED N#Cc1nc(=N[C@@H](CO)CNC(=O)C2=CCOCC2)cc[nH]1 1121339370 JSDGENMSXZWKHV-LLVKDONJSA-N 303.322 -0.994 30 20 DBED CO[C@H](C(=O)NC[C@@H](CO)Nc1cncc(C#N)n1)C1CC1 1121506590 VJRZCQMJDSQFAM-AAEUAGOBSA-N 305.338 -0.338 30 20 DBED Cc1nsc(N[C@@H](CO)CNC(=O)[C@@H]2CCC(=O)N2)c1C#N 1121820060 XNCFAKNRPUABTD-SCZZXKLOSA-N 323.378 -0.509 30 20 DBED C[C@]1(C(=O)NC[C@@H](CO)N=c2cc[nH]c(C#N)n2)CCCOC1 1121935370 CLNOIXSUKJOKFS-NHYWBVRUSA-N 319.365 -0.524 30 20 DBED COCCC(C)(C)C(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1 1121984726 KUVKLNPSAQXAPE-LLVKDONJSA-N 321.381 -0.278 30 20 DBED C#Cc1cncc(C(=O)NC[C@H](CO)Nc2cnc(C#N)cn2)c1 1122507552 CKQCTPXFTWDDFH-CQSZACIVSA-N 322.328 -0.073 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)c1cnccn1 1122840592 PYSDNYFWRFYWAI-SNVBAGLBSA-N 320.353 -0.804 30 20 DBED CNC(=O)CC(=O)N1C[C@@H](N=c2cc[nH]cc2C#N)C[C@@H]1C 1123202845 LDSHGXUTMMXFEI-JQWIXIFHSA-N 301.350 -0.087 30 20 DBED Cc1nsc(NC[C@H](O)CN(C)C(=O)c2nc[nH]n2)c1C#N 1124459728 CLNIDPCPKYVJPO-QMMMGPOBSA-N 321.366 -0.014 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C[C@H](O)CNc1cnc(C#N)cn1 1124519609 NCYFQQHRZVTWCY-DGCLKSJQSA-N 317.349 -0.382 30 20 DBED C=CCCC(=O)NCCNCC(=O)N1CCC[C@H](C(N)=O)C1 1124646204 JFLWTLXQTFPKPG-LBPRGKRZSA-N 310.398 -0.618 30 20 DBED C=CCCC(=O)N(C)C[C@H](O)CN(C)c1ccc2nnnn2n1 1124963458 OETUMYJEZXOJMN-LLVKDONJSA-N 319.369 -0.259 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)[C@@H]2CN3CCC2CC3)C1=O 1127481771 WREUQLAJAVIGOD-HUUCEWRRSA-N 320.437 -0.179 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H](C)NC(C)=O)C1 1128653335 XJUSPEZVXQGKKF-UHTWSYAYSA-N 306.370 -0.670 30 20 DBED C=CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)CC(=O)NC)C1 1128945369 WRZOTIRWSSZLLC-NEPJUHHUSA-N 306.370 -0.668 30 20 DBED COCC#CCNCCNC(=O)[C@H]1CCc2ncncc2C1 1129218131 BJBQORSQZUJEPX-ZDUSSCGKSA-N 302.378 -0.063 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)CCCCN(C)C)C1 1129397242 RMCXLAUUXMVBFE-CABCVRRESA-N 318.425 -0.015 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@H]2C[C@@H]3CN(CCOC)C[C@]2(C1)O3 1131230151 GJCVKXSKRXYQMA-KCYZZUKISA-N 322.405 -0.027 30 20 DBED C#Cc1ccc(C(=O)NCCN[C@@H](C)C(=O)NC(=O)NC)cc1 1132226779 OCBBTGBPZBNJDA-NSHDSACASA-N 316.361 -0.169 30 20 DBED Cc1noc(C)c1C(C)(C)C(=O)NCCNCC(=O)NCC#N 1132686600 OIDZVESUUAUDSY-UHFFFAOYSA-N 321.381 -0.085 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@H]1CCc2cnc(C)n2C1 1133000750 JMKJXLFJBAVEEZ-ZDUSSCGKSA-N 319.409 -0.238 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)c1cnn(C)c1C 1133708157 QNOPFXMQLREIIX-NEPJUHHUSA-N 319.409 -0.036 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)CCn1cccn1 1133726246 GBKUHJFLKKEHIN-ZIAGYGMSSA-N 319.409 -0.105 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)CCOCC#C 1134351529 HHYZOYBQLSZZRG-UONOGXRCSA-N 307.394 -0.351 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1c[nH]nc1C1CC1 1146441219 IHQWCFQYAQCOQG-JTQLQIEISA-N 303.366 -0.256 30 20 DBED C=CCNC(=O)CN1CCC2(C1)CN(C(=O)CC(=O)NCC)C2 1147374132 GYMGWPGTXDDGIF-UHFFFAOYSA-N 322.409 -0.651 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CCc2n[nH]cc2C1 1147678826 LXNMFWPZAMDZDD-VXGBXAGGSA-N 319.409 -0.089 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)N1CC2(CCN(CCO)C2)C1 1148396009 HDYHDGPNVSRTRK-AWEZNQCLSA-N 309.410 -0.016 30 20 DBED COCC#CCN1CCCO[C@H](CNC(=O)[C@H](O)C(C)C)C1 1149666974 QQPYFVPBDKIBEQ-HUUCEWRRSA-N 312.410 -0.140 30 20 DBED CCN(CC#CCOC)[C@H](C)CNC(=O)c1c[nH]c(=O)cn1 1154893933 BYNGKBFRNAIUOT-GFCCVEGCSA-N 306.366 -0.140 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)CCCN(C)C 1154904179 NYTRXFBBBQNMEC-CQSZACIVSA-N 310.442 -0.096 30 20 DBED C#CCO[C@H](C)C(=O)NCCCNC[C@H]1CCS(=O)(=O)C1 1157869459 MPFSTNILZWXWFG-CHWSQXEVSA-N 316.423 -0.445 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)[C@]1(CC)CCNC1=O 1160280423 JCYVEAWGXLHTQR-WBMJQRKESA-N 322.409 -0.864 30 20 DBED C=CCNC(=O)CNCCCNC(=O)C[C@@H]1CCN(C)C1=O 1160592255 OQPGPWTWTTZEDM-LBPRGKRZSA-N 310.398 -0.747 30 20 DBED C=CCNC(=O)CNCCCNC(=O)c1nc(C)c(C)nc1O 1160752291 KSRUHSSFGPMCKZ-UHFFFAOYSA-N 321.381 -0.189 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)c1coc(C(N)=O)c1 1163224672 WSQLQFKRMNRZAR-JTQLQIEISA-N 320.349 -0.774 30 20 DBED C[C@@H](CCCCNCC(=O)NCC#N)NC(=O)c1cc[nH]n1 1169307789 BCFFOJVTSVOPLK-NSHDSACASA-N 306.370 -0.072 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)c1cn(CCC)nn1 1169551788 IZHGNJYDZDAADM-LBPRGKRZSA-N 320.397 -0.465 30 20 DBED N#CCNC(=O)CNCCCNC(=O)c1coc(CC2CC2)n1 1169649578 YVCUKGSMARYEFZ-UHFFFAOYSA-N 319.365 -0.024 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)CCN(C)CCC 1171731750 OGKNDFGNBRBAHT-CQSZACIVSA-N 310.442 -0.048 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)c1ccnc(C)n1 1176301199 FMIVRQFTSFGGPD-LLVKDONJSA-N 303.366 -0.368 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)CCS(C)(=O)=O)C[C@H]21 1177043670 YYXPYZLQMMFBLF-OLZOCXBDSA-N 314.407 -0.644 30 20 DBED C=CCNC(=O)CNCCCCCCNC(=O)CNC(N)=O 1177867900 UUEIIXHFIDYZFR-UHFFFAOYSA-N 313.402 -0.777 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2cc(OC)ccn2)C1 1184785515 ZCAQZGQLXFWSPE-GFCCVEGCSA-N 316.361 -0.356 30 20 DBED CNS(=O)(=O)CC(=O)N1CC[C@@H](CNCC#N)[C@H](C)C1 1185708662 BYWDFYXUOLFDCT-MNOVXSKESA-N 302.400 -0.867 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2cc(C)no2)C1 1188844923 MUPNCCGQVVWCQL-LBPRGKRZSA-N 304.350 -0.121 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(Cc2nnc(CC)n2C)C[C@H]1O 1191807664 VDCIDEATRUUYRS-VXGBXAGGSA-N 323.397 -0.759 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CN(CC(=O)NC2CCCC2)C[C@H]1O 1191863404 DUTSFHQMGZBEOV-RAIGVLPGSA-N 308.382 -0.634 30 20 DBED CC[C@@H](NC(C)=O)C(=O)N1CC[C@H](N(C)CC(=O)NCC#N)C1 1192464250 HVEFZWRMJIVFFO-QWHCGFSZSA-N 323.397 -0.926 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C(C)(C)C(C)(C)C)C1 1195337543 AKVFLYCBVINSSE-CHWSQXEVSA-N 323.437 -0.031 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(CCC[C@H](C)O)C[C@H]2O)nc1 1197926759 WHVOCDVHQRLIAF-APHBMKBZSA-N 317.389 -0.001 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)/C=C/C2CC2)CCCO1 1200189534 HCPODBBFCQZYAX-LQYUOIDQSA-N 319.405 -0.091 30 20 DBED C=CCOCCNC[C@@H]1CN(C(=O)Cn2nccn2)CCCO1 1200596338 DGZDDXFNMOBJDL-CQSZACIVSA-N 323.397 -0.312 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C)C2)CCCO1 1200626928 DZOAKVBCHAGLQC-ZIAGYGMSSA-N 307.394 -0.305 30 20 DBED N#CCNC[C@H]1CN(C(=O)COC[C@@H]2CCOC2)CCCO1 1201548408 WSMLZWHNORHWRB-KGLIPLIRSA-N 311.382 -0.230 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)Cn2nccc2C)CC1 1202699968 SPDUYAMCSIXVAA-UHFFFAOYSA-N 317.393 -0.478 30 20 DBED CCn1ccc(C(=O)N2CCC(NCC(=O)NCC#N)CC2)n1 1202771581 IDQMUJGNHAVGAQ-UHFFFAOYSA-N 318.381 -0.263 30 20 DBED C=CCOCCNC1CCN(C(=O)CN2C(=O)CCC2=O)CC1 1203637636 KXBJFUFXOQYRIC-UHFFFAOYSA-N 323.393 -0.081 30 20 DBED Cc1c(C(=O)N2CCC[C@@H](NCC(=O)NCC#N)C2)cnn1C 1207306146 IKLXTZGSBKCZIZ-GFCCVEGCSA-N 318.381 -0.438 30 20 DBED C#CCOCCC(=O)N1CCC[C@@H](N[C@H](C)C(=O)NC(N)=O)C1 1208029330 TUGYWQKEZLYXTR-VXGBXAGGSA-N 324.381 -0.810 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2CCN(C)[C@@H]2C)C1 1208070602 NXVGUPUKLRSWSR-QLFBSQMISA-N 320.437 -0.343 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)c2csnn2)[C@H](C)C1 1208200407 ZQOUCPKFXLWRHT-NXEZZACHSA-N 309.395 -0.110 30 20 DBED COCC#CCN[C@H]1CCCN(C(=O)c2ccc(=O)n(C)n2)C1 1210958674 LSPWJYGCSWNDGG-ZDUSSCGKSA-N 318.377 -0.376 30 20 DBED CCN(CCC#N)C(=O)CN[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1C 1214375453 QCBWRCGZSHZUKX-VXGBXAGGSA-N 323.397 -0.940 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)CC1(C)CC1 1218312211 CJCASAZOCYDKGI-UONOGXRCSA-N 319.405 -0.162 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(CC2CC(C)(C)C2)C[C@@H]1O 1219492249 CUSKXAIAIJSPDY-KGLIPLIRSA-N 321.421 -0.277 30 20 DBED C=C[C@](C)(CCOC)C(=O)N[C@@H]1CN(Cc2cnon2)C[C@@H]1O 1220079914 GCDYZGVVADSANE-VNHYZAJKSA-N 324.381 -0.040 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)[C@@H](C)CN2CCOCC2)C1 1220986260 YTONGANSSIVSBQ-ZNMIVQPWSA-N 311.426 -0.308 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)[C@H](CCCC)NC(N)=O)C1 1221159395 MILFGWQXSHXNPK-XQQFMLRXSA-N 312.414 -0.049 30 20 DBED COCC#CCN1CC[C@@H]2CN(C(=O)CCn3cncn3)[C@@H]2C1 1221274438 FJWOLNNXPMQINN-HUUCEWRRSA-N 317.393 -0.149 30 20 DBED C#CCN[C@@H]1CCCN(C(=O)CCNC(=O)[C@H]2CCCO2)C1 1222123462 QXGKVHDVBJCVJF-ZIAGYGMSSA-N 307.394 -0.115 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCCC[C@H]1N[C@@H]1CCNC1=O 1225779685 UAQIJGRDWJBOGM-JHJVBQTASA-N 320.393 -0.969 30 20 DBED N#CCNC(=O)CN1CCC(NC(=O)C[C@H]2COC(=O)C2)CC1 1226875603 ISYAWJTYHINWRK-LLVKDONJSA-N 322.365 -0.840 30 20 DBED CCNC(=O)NC(=O)CN1CCC(NC(=O)C#CC2CC2)CC1 1227290458 XSHWEIIJDOHTGK-UHFFFAOYSA-N 320.393 -0.174 30 20 DBED COCC#CCN1CC[C@@H]1CN(C)C(=O)c1nccnc1N 1231273842 XBSCNWRRHBEXFU-GFCCVEGCSA-N 303.366 -0.145 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)CCCNC(=O)CSCC#N 1234161671 GXUHSGQPIVXEEJ-GFCCVEGCSA-N 310.423 -0.181 30 20 DBED C[C@@H](O)c1cn(CC(=O)OCC(=O)N[C@](C)(C#N)C2CC2)nn1 1320107137 ITZAQPKFPLCZCU-YMTOWFKASA-N 321.337 -0.317 30 20 DBED CCN(CCOCCO)C(=O)C(=O)Nc1ccn(CCC#N)n1 1322659884 IAMFTXKHHXGYAZ-UHFFFAOYSA-N 323.353 -0.407 30 20 DBED C#CCNC(=O)CNC1(CNC(=O)[C@@H]2CCCCN2C)CC1 1323521059 YGILJQNFRFMQDJ-ZDUSSCGKSA-N 306.410 -0.542 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)NCc1ccc(C(N)=O)nc1 1323527258 DDDTUKWMLXEMHE-SNVBAGLBSA-N 306.322 -0.886 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CCC[C@](C)(O)CC2)nn1 1328108319 XCZZOBLIJSAHAX-HNNXBMFYSA-N 321.381 -0.156 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)C(=O)N2CC[C@](O)(C3CC3)C2)C1 1328426405 OYECBIBKOVDUNW-HUUCEWRRSA-N 307.350 -0.763 30 20 DBED COCCCNC(=O)[C@H](C#N)C(=O)[C@@H]1CCc2nnn(C)c2C1 1343386572 KOJUSJMQQWXLAS-GHMZBOCLSA-N 319.365 -0.218 30 20 DBED N#Cc1ncn(CC(=O)N[C@H](CO)Cc2ccc(O)cc2)n1 1362597406 CDZZFSKRLBZATH-NSHDSACASA-N 301.306 -0.425 30 20 DBED CCCn1nccc1NC(=O)Cn1c(=O)c(C#N)cn(C)c1=O 1365253912 VTBWQYQJXOGPLD-UHFFFAOYSA-N 316.321 -0.336 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N(CC(N)=O)C1CCOCC1 1365456816 WSJORXCASUUFMC-SNVBAGLBSA-N 318.399 -0.569 30 20 DBED CC(C)(C#N)CS(=O)(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 1365636220 PHUVLVKJAJTYMX-SNVBAGLBSA-N 323.440 -0.120 30 20 DBED C[C@@H](CNC(=O)CCS(=O)(=O)N(C)C)NC(=O)[C@H](C)C#N 1372907611 WGVVHQCNMBZKJB-ZJUUUORDSA-N 318.399 -0.952 30 20 DBED CCN(CCNC(=O)[C@@H](C)C#N)C(=O)CS(=O)(=O)CC 1373938880 XKBCZQRYSRPEEC-JTQLQIEISA-N 303.384 -0.455 30 20 DBED CCN(CCC#N)C(=O)CN1CC(CNC(=O)c2cn[nH]c2)C1 1377963141 ZVKUOKOGAYGMJP-UHFFFAOYSA-N 318.381 -0.167 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)[C@H]2CCS(=O)(=O)C2)CC1 1389901862 OPPMVQKTASPODK-ZJUUUORDSA-N 313.379 -0.654 30 20 DBED COc1cc(C(=O)NC[C@H](O)CNC(=O)[C@@H](C)C#N)sn1 1392100002 BEWVCSBMXUBMCB-JGVFFNPUSA-N 312.351 -0.482 30 20 DBED CCCS(=O)(=O)CC(=O)NC[C@@H](C)N(C)C(=O)[C@H](C)C#N 1395087143 GAVMRWIKQHPZRM-GHMZBOCLSA-N 317.411 -0.066 30 20 DBED Cn1cc(CN2CC(O)(CNC(=O)c3cc(C#N)c[nH]3)C2)cn1 1402313081 CEHUQHJEVBZNGX-UHFFFAOYSA-N 314.349 -0.403 30 20 DBED C[C@H](C#N)C(=O)N[C@@H](CNC(=O)CN1CCOCC1=O)C1CC1 1407647914 OZVPASILQJOGDB-PWSUYJOCSA-N 322.365 -0.984 30 20 DBED CCn1ccnc1CNC(=O)Cn1cc(C#N)c(O)nc1=O 1412181432 PYDAHTIHBNBMBD-UHFFFAOYSA-N 302.294 -0.647 30 20 DBED CC(C)[C@H](NC(=O)Cn1cc(C#N)c(O)nc1=O)C(C)(C)O 1412831387 QEQRPZAZYWTJAV-NSHDSACASA-N 308.338 -0.268 30 20 DBED C[C@@H](C(=O)N[C@H](CO)CN1CCCCC1)n1cnc(C#N)n1 1412933280 SHWGPFMFZDRWDH-RYUDHWBXSA-N 306.370 -0.326 30 20 DBED CN(CCC#N)S(=O)(=O)NCCS(=O)(=O)N1CCCC1 1414351859 SXLABUDRVUGGMU-UHFFFAOYSA-N 324.428 -0.908 30 20 DBED CCc1noc(COCC(=O)N2CC(NC(=O)[C@H](C)C#N)C2)n1 1416045693 GLLNMAUXJAQTKR-SECBINFHSA-N 321.337 -0.365 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1C[C@@H](NCC(=O)NC[C@@H]2CCCO2)C1 1418615685 NQNPGAQBSXZSJJ-MQYQWHSLSA-N 322.409 -0.074 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@@H](C)CNC(=O)CN(C)C(=O)C1CC1 1424191477 ZFLLXKNGQSRRGD-QWRGUYRKSA-N 308.382 -0.022 30 20 DBED COC(=O)C1(C#N)CCN(C(=O)C[C@H]2SC(=N)NC2=O)CC1 1433988917 UOCCKHVLWIBTNM-MRVPVSSYSA-N 324.362 -0.152 30 20 DBED COCCN(Cc1cc(O)n2ncc(C#N)c2n1)[C@@H](C)C(N)=O 1434457653 FHCRDPSPUQIQEA-VIFPVBQESA-N 318.337 -0.371 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@@H](C)CNC(=O)CCNS(C)(=O)=O 1449988991 XIEWTPDMLWWMDN-UWVGGRQHSA-N 318.399 -0.952 30 20 DBED CC(C)[C@]1(CO)CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)C1 1450551947 MFRHJFJZXQIDLZ-OAHLLOKOSA-N 320.349 -0.312 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]1CN(C)C(=O)CN1CCCNC1=O 1452860151 JMNMKUIUZPUYHU-RYUDHWBXSA-N 321.381 -0.379 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@@H](CNC(=O)c2nccnc2N)C1 1452918361 UZLWKKCXGKNPOM-BBBLOLIVSA-N 302.338 -0.157 30 20 DBED COCC(=O)N(C)CC(=O)N1CC[C@@H](CNC(=O)[C@H](C)C#N)C1 1527189005 PUQOPKQTUZAQCP-NEPJUHHUSA-N 324.381 -0.784 30 20 DBED CN(Cc1nnc2c(=O)[nH]ccn12)C(=O)c1cc(C#N)ccn1 1558151242 MVSVDUIGYMCRFL-UHFFFAOYSA-N 309.289 -0.044 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNc1ncccc1-c1nn[nH]n1 1573577417 PBSBYLRQDDKICO-DTWKUNHWSA-N 316.325 -0.690 30 20 DBED C[C@@H](CN1CCOCC1)Cn1c(N)nc(C#N)c1-c1nn[nH]n1 1574832031 PCLHFNHPJHNZPZ-VIFPVBQESA-N 317.357 -0.515 30 20 DBED C[S@@](=O)C1(CNc2cnc(-c3nn[nH]n3)c(C#N)n2)CC1 1591683084 SGNAUDIKPXKFNZ-OAQYLSRUSA-N 304.339 -0.149 30 20 DBED Oc1ccc(/C=N\CCn2cnc(-c3nn[nH]n3)n2)c(O)c1O 1593540547 IPQIFGIQYAMWLT-ACAGNQJTSA-N 316.281 -0.306 30 20 DBED CN(C(=O)c1c[nH]c(C#N)c1)C1CN(C(=O)[C@@H]2C[C@@H]2C(=O)O)C1 1598071920 DNSXWUSVXFAQAI-NEPJUHHUSA-N 316.317 -0.110 30 20 DBED CO[C@@H](CS(=O)(=O)N(CC#N)CC(=O)O)[C@H]1CCOC1 1599058810 LWKBEKMLYRNPGJ-UWVGGRQHSA-N 306.340 -0.722 30 20 DBED N#Cc1cc(C(=O)NC2CN(C(=O)[C@@H]3C[C@@H]3C(=O)O)C2)c[nH]1 1601085801 MTCMXBAVCBAZBS-MNOVXSKESA-N 302.290 -0.452 30 20 DBED C#C[C@H](NS(=O)(=O)N1CCC[C@H]1C(=O)O)[C@@H]1CCCO1 1602671740 FVPPHHQKURJCMX-DCAQKATOSA-N 302.352 -0.449 30 20 DBED N#CCCCCS(=O)(=O)N1CC(n2cc(C(=O)O)nn2)C1 1608181292 GMSIZWOUFSUTDK-UHFFFAOYSA-N 313.339 -0.143 30 20 DBED CN(CCC#N)C(=O)CCN1CC[C@H](n2cc(C(=O)O)nn2)C1 1610114678 REEUXKTWYWWNOZ-NSHDSACASA-N 320.353 -0.015 30 20 DBED CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@@](O)(CC#N)C1 1647246611 OLIPLDHHFOUTEK-NHYWBVRUSA-N 324.381 -0.730 30 20 DBED CC#CCN1[C@H]2CC[C@H]1CC(NC(=O)CS(=O)(=O)NC)C2 1752702211 GYUBEBYCRKBDHC-STQMWFEESA-N 313.423 -0.330 30 20 DBED C#CCNC(=O)CN[C@H](C)CNC(=O)[C@@H](C)Cn1ccc(C)n1 1752875869 YJGDIRFYNDZWPS-GXTWGEPZSA-N 319.409 -0.329 30 20 DBED CCO[C@@H](C(=O)NCC1CN(CC(=O)NCC#N)C1)C(C)C 1753403571 ZVAXIURDCDKXQL-CQSZACIVSA-N 310.398 -0.265 30 20 DBED N#CCNC(=O)CN1CCC(CCNC(=O)[C@H]2CCOC2)CC1 1753593980 RGZQZZFTGRWKRY-AWEZNQCLSA-N 322.409 -0.119 30 20 DBED C#CCCN[C@@H]1CCN(C(=O)CN2CC(=O)N(C)C2=O)C[C@H]1C 1753761896 ODRCJLFDCNTNFJ-CHWSQXEVSA-N 320.393 -0.270 30 20 DBED C[C@H](CNCC(=O)N[C@H](C)C(=O)N(C)C)NC(=O)C#CC1CC1 1754226231 DZGYQEPHXWDUBP-VXGBXAGGSA-N 322.409 -0.913 30 20 DBED CCCc1n[nH]cc1C(=O)N[C@H](C)CNCC(=O)NCC#N 1754233134 YPAHQARSJDMRLF-SNVBAGLBSA-N 306.370 -0.290 30 20 DBED C#CCNC(=O)CNC[C@H](C)NC(=O)Cc1cnccc1C 1754270572 HFQBHCFNBPSPSO-ZDUSSCGKSA-N 302.378 -0.224 30 20 DBED C=CCNC(=O)CNC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 1754271648 YZBZGMCCBWIIJG-QJPTWQEYSA-N 305.382 -0.090 30 20 DBED CCN1C[C@@H](C(=O)N[C@H](CNCC#CCOC)C2CC2)CC1=O 1754442782 JDPHJLKXASMTPM-LSDHHAIUSA-N 321.421 -0.011 30 20 DBED O=C(C#CC1CC1)NCC1(O)CN(CCOCC(F)F)C1 1754767270 IIKRUPNZOYJIOK-UHFFFAOYSA-N 302.321 -0.156 30 20 DBED C=CCOCCN1CC(O)(CNC(=O)c2csc(O)n2)C1 1754772518 KCQFVXFKVLAUDG-UHFFFAOYSA-N 313.379 -0.172 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCCN1CCC(NCCO)CC1 1754850669 QNWHNPGDBMBMOD-CABCVRRESA-N 311.426 -0.260 30 20 DBED C[C@@H](O)CN[C@@]1(CO)CCCN(C(=O)CSCC#N)C1 1755080596 IXHJHINMMSWNDW-YPMHNXCESA-N 301.412 -0.433 30 20 DBED C=CCN1CC(CCO)(NC(=O)c2ccc(C(N)=O)nc2)C1 1755342591 AUABBNWIYIZJEL-UHFFFAOYSA-N 304.350 -0.467 30 20 DBED COCC#CCN1C[C@H]2C(CNC(=O)Cc3ccn(C)n3)[C@@H]2C1 1755424417 YVJFTIYNCNXKFU-HOTGVXAUSA-N 316.405 -0.094 30 20 DBED C#CCNC[C@@H](C1CC1)N(C)C(=O)CN1CCC(=O)NC1=O 1755568955 OYEHGOFBOCCFOG-LBPRGKRZSA-N 306.366 -0.612 30 20 DBED C=CCNC(=O)CNC1CC(N(C)C(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1755859664 BQMJUKMNFSQQOL-KJZWCNOPSA-N 307.394 -0.240 30 20 DBED C#CCOCCC(=O)N1CC([C@H](C)NC(=O)[C@H]2CCNC2=O)C1 1756152569 SWNUXCGFDFBLLO-AAEUAGOBSA-N 321.377 -0.875 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H](CO)CNC(=O)c1cccnn1 1756544894 HJMHBIAQDITDKK-QMTHXVAHSA-N 308.338 -0.989 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H](O)CN(C)C(=O)c1[nH]ccc1C 1756660886 OFGUIFBRHBWBDU-QWHCGFSZSA-N 321.377 -0.089 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@H](O)[C@H](NC(=O)c2ccc[nH]2)C1 1757153373 REDAKOWSEZSOLS-UHTWSYAYSA-N 305.334 -0.646 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N(CCN(C)C)CC(=O)O 1776398529 AHBOJZHTZYQMMG-SNVBAGLBSA-N 306.388 -0.587 30 20 DBED C#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)NC=O)CCO2 1785427603 GCUFQGVPOIQIMP-CZUORRHYSA-N 321.377 -0.636 30 20 DBED Cn1ccnc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC#N 1795078184 VRXAZRTZWULFQS-PTEHBNRSSA-N 317.349 -0.463 30 20 DBED CC[C@@H](C)[C@@H](N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC#N 1795083486 NJWONKNEVWNFRL-GGUBGCTKSA-N 322.409 -0.137 30 20 DBED COC(OC)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC(=O)O 1801986393 AHWJMGODJHIOCX-JGPRNRPPSA-N 324.333 -0.669 30 20 DBED N#CCN(CC#N)C(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1 162015866 QCFZVXGBZFOLSQ-CYBMUJFWSA-N 310.317 -0.018 30 20 DBED CN(CC(=O)N[C@](C)(C#N)C1CC1)C[C@H](O)CN1CCOCC1 177368120 BLEMIADZKQMGOV-GOEBONIOSA-N 324.425 -0.580 30 20 DBED COCCNC(=O)CN1CCN(Cc2cc(C#N)n(C)c2)CC1 191192807 MWHMJWCJADTLPA-UHFFFAOYSA-N 319.409 -0.223 30 20 DBED C[C@@H](CC#N)NC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C 194650337 QQUFCOJXHOVANV-QMMMGPOBSA-N 301.306 -0.336 30 20 DBED N#Cc1ccc(S(=O)(=O)NCCN2CCNCC2)s1 230368976 FNIOIGBNBJWOSS-UHFFFAOYSA-N 300.409 -0.197 30 20 DBED C=CCNC(=O)CNC(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O 271970453 HRXLXCPPFISTBI-LLVKDONJSA-N 320.353 -0.873 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)NCCCOCCO)cc1 272814233 LPRUUFGFCKZCGY-UHFFFAOYSA-N 305.334 -0.197 30 20 DBED CCn1cc(C#N)c(=O)n(C[C@H](O)CO[C@H](C)COC)c1=O 278621170 KMIIPXUUFFBHTR-PWSUYJOCSA-N 311.338 -0.686 30 20 DBED N#Cc1cc(C(=O)N2CCN(S(N)(=O)=O)CC2)ccc1F 279137838 AAAGKHWZMXERBL-UHFFFAOYSA-N 312.326 -0.341 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(CC)C[C@H]2C)C1=O 288504150 QLJOVLWPVODWMK-LLVKDONJSA-N 322.365 -0.484 30 20 DBED N#Cc1ccc(CS(=O)(=O)NC[C@@H]2CN3CCN2CC3)cc1 289298129 ZBTWOTZGINUMTO-OAHLLOKOSA-N 320.418 -0.023 30 20 DBED C#CCNC(=O)CCN1CCN(CC(=O)N(CC)CC)CC1 293580200 TVHYDWSWRDXXEU-UHFFFAOYSA-N 308.426 -0.388 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(C)[C@@H](C)C(C)(C)O)C1=O 297035921 UPWUXQMNNAFOLS-VIFPVBQESA-N 311.338 -0.419 30 20 DBED C=CCNC(=O)C(=O)N1C[C@H](C(=O)NC)Oc2ccccc21 298923744 JMZZFANXSFZRNN-GFCCVEGCSA-N 303.318 -0.171 30 20 DBED N#CCCN(CCN1CCOCC1)C(=O)c1ccc(=O)[nH]n1 318625430 SVCDIVUXEOGJPM-UHFFFAOYSA-N 305.338 -0.542 30 20 DBED C[C@H]1CS(=O)(=O)C[C@H]1/N=C(/O)N1C[C@@H]2OCCN(C)[C@H]2C1 329675187 UHAIYKQKRZPBIV-USZNOCQGSA-N 317.411 -0.652 30 20 DBED CN(/C(O)=N/[C@@H]1[C@H]2COC[C@H]21)[C@@H]1CCN(S(C)(=O)=O)C1 330209894 HXKRWQUOSBKYQN-ZNSHCXBVSA-N 303.384 -0.489 30 20 DBED C[C@H]1COCCN1CCNS(=O)(=O)N(C)C[C@@H](C)C#N 330373916 BNTVYHYETBNNLB-RYUDHWBXSA-N 304.416 -0.367 30 20 DBED C[C@@H](CNS(=O)(=O)N(C)[C@@H](C)CC#N)N1CCOCC1 330405074 DUBZPEFCYDFBDE-RYUDHWBXSA-N 304.416 -0.225 30 20 DBED CC/N=C(/O)NC(=O)[C@H](C)N1CCC[C@@H]1CS(=O)(=O)NC 331144939 GWYGIHAFJIVLQQ-VHSXEESVSA-N 320.415 -0.561 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N(C)CC(=O)NC1CC1 331804491 UCXONQXORVWVOJ-JTQLQIEISA-N 302.400 -0.077 30 20 DBED C[C@@H]1C[C@@H](CNS(=O)(=O)N2CCO[C@@H](C#N)C2)CCO1 336943613 LOCKLSMHBVXYRY-WOPDTQHZSA-N 303.384 -0.140 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N1CCC[C@@H](S(N)(=O)=O)C1 336956874 ZYRXSGZTJNQJPX-NXEZZACHSA-N 324.428 -0.924 30 20 DBED CN(C)[C@@H]1CCCN(S(=O)(=O)N2CCO[C@H](C#N)C2)C1 337071200 OQOUYFMKAZCTKV-VXGBXAGGSA-N 302.400 -0.518 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N(CCO)C1CCOCC1 337770355 OAMFGSZSFKVLTP-LLVKDONJSA-N 305.400 -0.062 30 20 DBED CC[C@H](C)[C@H](NS(C)(=O)=O)C(=O)N1CCO[C@@H](C#N)C1 345312199 FPWPLNYVCOIIEE-DCAQKATOSA-N 303.384 -0.299 30 20 DBED CC1CCN(C[C@H](O)CNC(=O)NCC(=O)NCC#N)CC1 358286858 BOWCGFCQOUSXGI-GFCCVEGCSA-N 311.386 -0.982 30 20 DBED CNS(=O)(=O)c1ccc(C(=O)N[C@]2(C#N)CCOC2)cn1 358442920 KBHXXXYLZFAOST-LBPRGKRZSA-N 310.335 -0.598 30 20 DBED CC(C)OCCS(=O)(=O)NCC(=O)N[C@@]1(C#N)CCOC1 358456531 FNQOSTCEPJTBJK-GFCCVEGCSA-N 319.383 -0.870 30 20 DBED C#CCN(C)CCCNS(=O)(=O)c1n[nH]cc1C(=O)O 380982272 ZWGOZUFNLYACGN-UHFFFAOYSA-N 300.340 -0.659 30 20 DBED CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)N2CCO[C@H](C#N)C2)O1 408107710 YILZMGLVVQGWLG-UTUOFQBUSA-N 310.354 -0.444 30 20 DBED C=CCOC[C@H](NC(=O)[C@@H]1CSCN1C(C)=O)C(=O)O 455924910 YVVVWFBHLVAAJU-UWVGGRQHSA-N 302.352 -0.320 30 20 DBED C#CCNC(=O)CN1CCN(Cc2oncc2C(=O)OC)CC1 491210250 RPTJUKSOUQHPJD-UHFFFAOYSA-N 320.349 -0.672 30 20 DBED C#CCNC(=O)CCNC[C@H](N1CCOCC1)C(F)(F)F 491625251 HSTUMOPAUUIGIR-NSHDSACASA-N 307.316 -0.021 30 20 DBED Cc1ccc(S(=O)(=O)NCC(=O)NCC#N)cc1C(=O)O 505852773 ADCCSFGRWOQQON-UHFFFAOYSA-N 311.319 -0.389 30 20 DBED N#Cc1c(N)n[nH]c1CCCNc1ncccc1S(N)(=O)=O 531387004 KXADKJOBOYRYGS-UHFFFAOYSA-N 321.366 -0.049 30 20 DBED N#CCNC(=O)CNC(=O)NCc1n[nH]cc1Br 553590857 YTCNBQRGJZXKKD-UHFFFAOYSA-N 315.131 -0.389 30 20 DBED COC(=O)CCN1CC[C@@H](N2CCN(CCC#N)CC2)C1=O 595390999 AZSUHKOCWQUQFZ-CYBMUJFWSA-N 308.382 -0.318 30 20 DBED COC(=O)C[C@@H](O)CNC(=O)C(=O)Nc1cccc(C#N)c1 600056663 DHTFSGAJJMSTHV-LLVKDONJSA-N 305.290 -0.463 30 20 DBED COC[C@@H](CS(=O)(=O)NCC1CCN(CC#N)CC1)OC 603291877 GLIGYIUTTOTBLY-ZDUSSCGKSA-N 319.427 -0.197 30 20 DBED C[C@@H](C(=O)N(C)CC(=O)N(CC#N)CC(=O)O)n1cccn1 736204071 XNWQNUDUHROJCD-JTQLQIEISA-N 307.310 -0.661 30 20 DBED N#C[C@@H]1CN(C(=O)NCCS(=O)(=O)CC2CC2)CCO1 767225256 WNBZPABQZAYNMY-LLVKDONJSA-N 301.368 -0.255 30 20 DBED C#CCC(C)(C)C(=O)N(C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 767300107 ZQJWRFKFOKGDFW-LLVKDONJSA-N 314.407 -0.202 30 20 DBED N#Cc1cnn(C(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)c1N 776229720 BCDPKUKCRXOBIJ-YJFSRANCSA-N 315.289 -0.860 30 20 DBED CCN1CCCN(C(=O)C(=O)Nc2cnn(CC#N)c2)CC1 779537117 SBTITACTTXSYAU-UHFFFAOYSA-N 304.354 -0.101 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC(n2cc([C@H](C)O)nn2)C1 779563689 TXDBJCZVPFKNQK-FZMZJTMJSA-N 303.366 -0.188 30 20 DBED CN1CCN(CC(=O)NCCNc2ncccc2C#N)CC1=O 780466239 QLDOSPZYPNDJSR-UHFFFAOYSA-N 316.365 -0.745 30 20 DBED CC(C)C(CS(=O)(=O)N(C)C)=NN1CC(=O)N(C)C1=O 794921905 IHRXVWXYAIARBD-UHFFFAOYSA-N 304.372 -0.216 30 20 DBED C#CCC[C@@H](O)CNC(=O)[C@H]1CCCN1C(=O)CNC(C)=O 799079036 NIRSVOMLTYABHJ-CHWSQXEVSA-N 309.366 -0.996 30 20 DBED Cc1cc(C#N)cnc1C(=O)NC1CCN(CC(N)=O)CC1 814860278 FOLHUCZDVYGAJZ-UHFFFAOYSA-N 301.350 -0.059 30 20 DBED Cn1cnn(CCC(=O)[C@H](C#N)C(=O)NC2CCCC2)c1=O 815913684 YTXABWWBRZPTQS-NSHDSACASA-N 305.338 -0.260 30 20 DBED C#Cc1cccc(CNC(=O)C(=O)N2C[C@H](C)O[C@H](CO)C2)c1 817845455 GFMOAKJEKKTIIV-WFASDCNBSA-N 316.357 -0.108 30 20 DBED O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@H]1CCCN(O)C1=O 820470779 FYGSZURJCUUSBB-VIFPVBQESA-N 310.266 -0.747 30 20 DBED Cn1cc(C#N)cc1C(=O)OCCc1cn(CC(=O)O)nn1 833040441 HNEOLECCPPTQHO-UHFFFAOYSA-N 303.278 -0.028 30 20 DBED C#Cc1cccc(CNC(=O)C(=O)N2CCO[C@H]([C@H](C)N)C2)c1 842032942 KDVKDZVVWOPUSB-WFASDCNBSA-N 315.373 -0.141 30 20 DBED N#CCCN(CCN1CCOCC1)C(=O)[C@H]1CCOC(=O)N1 858945670 NMAANCLCBATNMJ-GFCCVEGCSA-N 310.354 -0.441 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2nc(C3CC3)no2)CC1 865927532 CXHBBQZQBGGXJH-UHFFFAOYSA-N 317.349 -0.546 30 20 DBED C#CC[C@@H](CO)NC(=O)[C@H]1CC[C@H]1C(=O)N[C@@H](CO)CC#C 868473435 OIRIVNHRNXACMD-KPWCQOOUSA-N 306.362 -0.987 30 20 DBED C#CCNC(=O)CN1CCN(CC(=O)Nc2ccccn2)CC1 878049670 LPHFZBUGGZIRCU-UHFFFAOYSA-N 315.377 -0.613 30 20 DBED C[C@H](NS(=O)(=O)c1ccc(C#N)nc1)[C@H]1CN(C)CCN1C 920010647 QHZQZWOZDAYUTI-SMDDNHRTSA-N 323.422 -0.134 30 20 DBED COC[C@H]1COCCN1CC#CCN1CCOC[C@@H]1COC 933332736 VVEHSRPNHBRWJI-HOTGVXAUSA-N 312.410 -0.316 30 20 DBED Cc1nc(CC(=O)N2C[C@@H]3C[C@H]2CN3C(=O)[C@@H](C)C#N)n[nH]1 937138638 BRXZJFRQNDEULE-LSJOCFKGSA-N 302.338 -0.373 30 20 DBED C=CCCn1cc(C(=O)N2CC[C@H](N(C)C(=O)C(N)=O)C2)nn1 938588874 MUAVLFGWWGYRLM-JTQLQIEISA-N 320.353 -0.988 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(CC1)CN(C(=O)[C@H]1CCC(=O)N1)C2 945031225 RYFDBZDJSJEKGQ-NWDGAFQWSA-N 318.377 -0.124 30 20 DBED C#CCN1CCOC2(CCN(C(=O)CCn3cnnn3)CC2)C1 949500584 KTZLSWUVFMZOFH-UHFFFAOYSA-N 318.381 -0.610 30 20 DBED C=CCCN1CC(N(CC)C(=O)[C@H]2CCS(=O)(=O)N2)C1 957404187 IXOHMUVTPWSPMH-GFCCVEGCSA-N 301.412 -0.213 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](CNC(=O)c2cnc3[nH]nnc3c2)C1 958149112 NTOYIRFOBCSWLX-YPMHNXCESA-N 316.365 -0.049 30 20 DBED N#CCN1C[C@H](O)[C@H](CNC(=O)c2cccc(C(N)=O)c2)C1 958190295 DUFVWAQNGDTIGN-OLZOCXBDSA-N 302.334 -0.668 30 20 DBED CC#CCN1C[C@H](CNC(=O)c2c(C)nn(C)c2OC)[C@@H](O)C1 958447870 KBGJIKLSPNFMHS-STQMWFEESA-N 320.393 -0.217 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cn(C)cn2)C1 958822886 NEBNVNJZDZYHTQ-USWWRNFRSA-N 305.338 -0.777 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CCCN(C(=O)C(N)=O)CC2)c1 964825397 URENZWPZJCCWLC-SNVBAGLBSA-N 303.322 -0.517 30 20 DBED C#CCCN1C[C@H]2CC[C@H]1CN2C(=O)CN1CC(=O)NC1=O 971928807 QMKWQLRHDILDSG-NWDGAFQWSA-N 304.350 -0.763 30 20 DBED CN(CC#N)[C@@H]1CCN(C(=O)[C@@H]2CN3CC4CC3(CO2)C4)C1 971969524 OOXRANWDEUDORE-IQXANGCESA-N 304.394 -0.094 30 20 DBED CC#CCN1C[C@H]2CC[C@H]1CN2C(=O)[C@H]1COCCN1C(C)=O 972128888 IOQDDCUNIRQYHB-ARFHVFGLSA-N 319.405 -0.068 30 20 DBED N#Cc1cc(C(=O)N[C@H]2C[C@@H](NC(=O)Cn3cncn3)C2)c[nH]1 974048923 SNMVJHCQGRVJSH-PHIMTYICSA-N 313.321 -0.445 30 20 DBED O=C1CCC[C@H](C(=O)N[C@H]2[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]32)N1 976687838 BMTOHPQCFRWUBN-IATRGZMQSA-N 315.373 -0.359 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@@H]1CCN(C(=O)C(N)=O)C1 988295908 XCMRKSCHPPDUMH-AVGNSLFASA-N 323.393 -0.240 30 20 DBED C=CCN[C@H]1C[C@H](C)N(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 989567712 FVBBOGIMBMNTMD-QWRGUYRKSA-N 316.365 -0.164 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC(NC(=O)Cc2ccon2)C1 990554458 VFTFAZWFUWJOLY-AWEZNQCLSA-N 316.361 -0.358 30 20 DBED N#Cc1c[nH]c(C(=O)NC2CN(C(=O)C[C@@H]3COC(=O)C3)C2)c1 990696913 XDEPRIYNQOMIAI-VIFPVBQESA-N 316.317 -0.220 30 20 DBED N#Cc1ccc(C(=O)N2CC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)[nH]1 991281286 ROBFOKBUVWGMAU-MWLCHTKSSA-N 303.278 -0.508 30 20 DBED C[C@]1(C(=O)NC2CN(C(=O)c3cc(C#N)c[nH]3)C2)CNC(=O)C1 996255798 GFBRLESFRMDWNZ-OAHLLOKOSA-N 315.333 -0.647 30 20 DBED Cn1cc(C(=O)NC2CN(C(=O)c3c[nH]c(C#N)c3)C2)nc1O 999063526 ICNNTYAMXJWORR-UHFFFAOYSA-N 314.305 -0.420 30 20 DBED CS(=O)(=O)CC(=O)N1CC(CNC(=O)c2c[nH]c(C#N)c2)C1 1001493241 HCEYQZPZMPJFIC-UHFFFAOYSA-N 324.362 -0.881 30 20 DBED C[C@@H]1C[C@H](CNC(=O)c2cc(C#N)c[nH]2)CN1C(=O)CC(N)=O 1010079721 NMYMANTZOYXKEC-MWLCHTKSSA-N 317.349 -0.271 30 20 DBED Cn1cc(C(=O)N2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)nn1 1010925620 VHPANYICONXJDZ-UHFFFAOYSA-N 313.321 -0.387 30 20 DBED CN1C[C@@H](C(=O)N2CCN(C(=O)C#CC3CC3)CC2)CCC1=O 1011111698 RRBGNYMPBPFGMJ-AWEZNQCLSA-N 317.389 -0.061 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@@]3(NC(=O)C(N)=O)CCC[C@@H]23)c1 1014444516 JLIPXDVUJJFWHY-ABAIWWIYSA-N 315.333 -0.375 30 20 DBED C=C(Cl)CN1CC[C@@H](NC(=O)Cn2c(O)nnc2O)C1 1016111512 RJTQDMAXZQFFRR-MRVPVSSYSA-N 301.734 -0.368 30 20 DBED Cc1nc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2O)cs1 1025197069 ADHXTTJAAOQYCR-JVUFJMBOSA-N 308.363 -0.087 30 20 DBED C#CCN1CCC[C@H]([C@H](C)NC(=O)c2cn(C)c(=O)nc2O)C1 1025619855 ZWQAYQYUWXWMNR-RYUDHWBXSA-N 318.377 -0.051 30 20 DBED Cn1nnnc1CN[C@@H]1CC[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]21 1026265208 GPALMEKOEDWXLD-HZSPNIEDSA-N 314.393 -0.050 30 20 DBED N#CCN[C@@H]1CC[C@@H]2CN(C(=O)Cn3c(O)nnc3O)C[C@@H]21 1026406977 IICFXZMHSFSTDM-KXUCPTDWSA-N 306.326 -0.961 30 20 DBED C#CCN1CCC[C@H]1CNC(=O)[C@@H]1CCc2nnc(O)n2C1 1027978358 KOWNYNFDRMPEIH-NEPJUHHUSA-N 303.366 -0.240 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)c3[nH]c(O)nc3C)C2)C1=O 1030486534 AOXJPGJJGPDDJJ-LLVKDONJSA-N 319.365 -0.375 30 20 DBED C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)CN1C(=O)CN(C)C1=O 1032771129 NTGVCBPLERPUIZ-RYUDHWBXSA-N 306.366 -0.258 30 20 DBED C#CCN1CC[C@@H](N(CC)C(=O)[C@@H]2CN(C(C)=O)CCO2)C1 1034029604 SOVAHLGYZLMYBM-CABCVRRESA-N 307.394 -0.210 30 20 DBED CC#CCN1CC[C@@H](N(CC)C(=O)[C@@H]2CCS(=O)(=O)N2)C1 1034042632 AGPFFWRUBLKAJY-OLZOCXBDSA-N 313.423 -0.376 30 20 DBED C=C(Cl)CN1CCO[C@@H](CNC(=O)[C@@H]2CN(C)C(=O)N2)C1 1035475821 MJMCKYBUUSXBOJ-QWRGUYRKSA-N 316.789 -0.421 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)[C@H]2CN(C(C)C)CCO2)C1 1035482850 KBPCXSCODNKPHY-LSDHHAIUSA-N 309.410 -0.454 30 20 DBED N#CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)c1ccnc(-n2cncn2)c1 1037751025 VPXOKSWSYCIXHE-DYEKYZERSA-N 309.333 -0.012 30 20 DBED C#CCN[C@H]1CCN(C(=O)CN2CCNC(=O)C2)C[C@@H]1CC 1037894082 XFMBKBBWMFYGQI-KBPBESRZSA-N 306.410 -0.732 30 20 DBED C#CCN[C@H]1CCN(C(=O)CN2C(=O)CCC2=O)C[C@@H]1CC 1037984586 HRHDDGAWWHDATB-STQMWFEESA-N 305.378 -0.015 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H]2CCN2[C@@H]2CCC(=O)NC2=O)c1 1038140099 NGQCUGOHDHYTJX-ZYHUDNBSSA-N 315.333 -0.504 30 20 DBED C#CCOc1ncccc1C(=O)NC[C@H]1CCN1CC(=O)NC 1038928435 QTXOEKNWJNJRCN-GFCCVEGCSA-N 316.361 -0.356 30 20 DBED CC(C)C#CC(=O)N1CC[C@@](O)(CNC(=O)c2ccncn2)C1 1040659388 BHMKHJLWXFVESI-MRXNPFEDSA-N 316.361 -0.171 30 20 DBED Cc1cnoc1C(=O)NC[C@@]1(O)CCN(C(=O)[C@H](C)C#N)C1 1040787602 JHVSMRBZNOSKCA-OTYXRUKQSA-N 306.322 -0.164 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CN(c3ccnc(C#N)n3)C[C@H]2O)c1 1040961338 GBFBUUMAPCQPGV-VXGBXAGGSA-N 323.316 -0.472 30 20 DBED CCCOCC(=O)NCC1(O)CN(C(=O)c2cc(C#N)c[nH]2)C1 1041862177 PPOYQGZJINIIPN-UHFFFAOYSA-N 320.349 -0.384 30 20 DBED C=CCN1CC[C@H](N2CC(N(C)C(=O)c3cn(C)nn3)C2)C1=O 1042684036 CTZQFPWGTMCHFC-ZDUSSCGKSA-N 318.381 -0.642 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)c2cn(C)nn2)C1 1042884818 BPOYBKQGEUPKHC-UHFFFAOYSA-N 307.354 -0.670 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)C[C@H]2CCOC2)C1 1043033292 WSYIUJPKIVHILQ-CYBMUJFWSA-N 324.377 -0.858 30 20 DBED Cc1ccnn1CC(=O)NCC1(O)CN(C(=O)[C@H](C)C#N)C1 1043084242 GTNGWFQNSQRDCK-SNVBAGLBSA-N 305.338 -0.959 30 20 DBED Cc1c[nH]c(C(=O)NCC2(O)CN(C(=O)C#CC(C)C)C2)n1 1043221969 AKKSCCCSGVYAGX-UHFFFAOYSA-N 304.350 -0.319 30 20 DBED N#Cc1nccnc1N1C[C@H](O)[C@H](NC(=O)Cc2ccc[nH]2)C1 1043984420 JDWYXYQGTGCNOR-OLZOCXBDSA-N 312.333 -0.415 30 20 DBED C=CCN1CC[C@H](N2CCN(C(=O)[C@@H]3CCC(=O)NC3)CC2)C1 1046043031 RTZMZLCGFRHLFZ-CABCVRRESA-N 320.437 -0.083 30 20 DBED COCCn1nc(C(=O)N[C@@]2(C)CCN(CC#N)C2)ccc1=O 1046467718 JWHOESFJKNVIHZ-HNNXBMFYSA-N 319.365 -0.393 30 20 DBED CN(C(=O)c1cnc2[nH]ncc2c1)[C@H]1CN(CC#N)C[C@@H]1O 1047425554 MMRHLIXLVIMULJ-RYUDHWBXSA-N 300.322 -0.401 30 20 DBED C=CCCC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CCC(=O)N2C)C[C@@H]1O 1048539995 PECGLPSCJCBKOV-AVGNSLFASA-N 323.393 -0.397 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cc2cc[nH]n2)C1 1048605253 PBZSECCQPSUATD-STQMWFEESA-N 322.365 -0.815 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)CCCCN(C)C)C[C@@H]1O 1049395360 UNXWZHMNKMEQEH-RDBSUJKOSA-N 324.425 -0.092 30 20 DBED C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)CN1C(=O)CNC1=O 1049880442 ANFZTMWNTVESDY-NEPJUHHUSA-N 304.350 -0.763 30 20 DBED C=CCN1CCOC[C@H]1CNC(=O)c1cnn2c(=O)cc[nH]c12 1051152856 LKNFELDTDVNGTD-LLVKDONJSA-N 317.349 -0.361 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)c1cnc(OCC)cn1 1051272501 FSDLWLZGCZVTMU-GFCCVEGCSA-N 304.350 -0.061 30 20 DBED N#Cc1nccc(N2CC[C@H](NC(=O)c3cn[nH]c3)[C@@H](O)C2)n1 1051627008 WVSPELNFKARMDD-QWRGUYRKSA-N 313.321 -0.559 30 20 DBED C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1CNC(=O)CC(N)=O 1052395922 BWGDMDFJKSHTMD-MWLCHTKSSA-N 317.349 -0.414 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1C 1053172283 UUAFUDVPPBDFEQ-GHMZBOCLSA-N 322.369 -0.763 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)CCc1cnn[nH]1)CCO2 1053436994 JBIIXFNCSNXTCF-UHFFFAOYSA-N 303.366 -0.326 30 20 DBED Cn1cnc(C(=O)NC[C@H]2CCC3(CN(CC#N)C3)O2)cc1=O 1053614154 SIMURJMQTXDTNB-LLVKDONJSA-N 317.349 -0.733 30 20 DBED COc1coc(C(=O)N[C@H]2COC3(C2)CN(CC#N)C3)cc1=O 1053871666 KEIPXNDRKBCPQS-SNVBAGLBSA-N 319.317 -0.255 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)[C@@H]3CCNC(=O)CC3)CO2)C1 1053881435 JEHFMCAGADRCTL-STQMWFEESA-N 305.378 -0.505 30 20 DBED C#Cc1cncc(C(=O)N[C@H]2COC3(C2)CN(CC(N)=O)C3)c1 1053920794 RPAVQHLDFHNJJX-CYBMUJFWSA-N 314.345 -0.879 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)C3)CO2)C1 1053927628 GWSOOLCZWJZTHG-GRYCIOLGSA-N 306.366 -0.629 30 20 DBED CC(C)[C@@H](O)C(=O)N1CCC[C@@](CO)(NC(=O)C#CC2CC2)C1 1055939264 VNCPDCVZHOASLX-NVXWUHKLSA-N 322.405 -0.114 30 20 DBED CCn1cc(C(=O)NC2[C@H]3CN(c4ccc(C#N)nn4)C[C@H]23)nn1 1056282259 JOXVLZLSBNKWRY-QWRGUYRKSA-N 324.348 -0.176 30 20 DBED N#Cc1ccc(N2C[C@H]3C(NC(=O)c4c[nH]c(=O)cn4)[C@@H]3C2)nc1 1056388375 DSMBIMRCCPWANG-GHMZBOCLSA-N 322.328 -0.099 30 20 DBED Cn1cccc(C(=O)N2CC[C@@H](N=c3cc[nH]c(C#N)n3)C2)c1=O 1056672871 MIISITPEXCJZSO-LLVKDONJSA-N 324.344 -0.205 30 20 DBED N#Cc1nc(=N[C@@H]2CCN(C(=O)[C@@]3(F)CCOC3)C2)cc[nH]1 1056760928 SHPLMHAISKMVTN-QMTHXVAHSA-N 305.313 -0.088 30 20 DBED C#CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)c1cc(C)on1 1056909444 QKZBSDIDUFLTIB-LBPRGKRZSA-N 323.349 -0.428 30 20 DBED C[C@H](C#N)C(=O)N1CCCN(c2nccn3nnnc23)CC1 1057108001 VKTUGPMXQATFHU-SNVBAGLBSA-N 300.326 -0.282 30 20 DBED C=CCCCC(=O)NCCN(CCO)C(=O)CCNC(N)=O 1057552544 WOZZMANUXLPXRH-UHFFFAOYSA-N 314.386 -0.662 30 20 DBED N#Cc1nccc(N2CC[C@H](NC(=O)[C@@H]3CCCNC3=O)C2)n1 1058467461 MJLDPORIEIWKGQ-WDEREUQCSA-N 314.349 -0.431 30 20 DBED CN1C[C@H](C(=O)N[C@@H]2CCN(c3ccc(C#N)nn3)C2)CC1=O 1058578487 VGFWYRCTCYAEDO-ZYHUDNBSSA-N 314.349 -0.479 30 20 DBED N#Cc1cncc(N[C@H]2C[C@H](NC(=O)[C@H]3CCNC(=O)C3)C2)n1 1059184892 VARBXSTZLNPUFK-DCAQKATOSA-N 314.349 -0.066 30 20 DBED N#Cc1cnc(NC[C@@H]2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)cn1 1060991332 FXHMNARNKFWKNK-WCQGTBRESA-N 314.349 -0.270 30 20 DBED C=CCCCC(=O)N1CCOC[C@H]1CNC(=O)[C@H]1CCNC1=O 1061747977 CYOBCQFOWFZMQI-OLZOCXBDSA-N 323.393 -0.178 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)c1cc(=O)n(C)o1 1061846791 HOKLZCNSEWVUEJ-NXEZZACHSA-N 322.321 -0.905 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CCCCN1C(=O)CS(C)(=O)=O 1062045058 IHRQXVHQNAIPRA-GHMZBOCLSA-N 315.395 -0.312 30 20 DBED C[C@@H](CC(=O)NCC1(NC(=O)[C@@H](C)C#N)CCC1)NC(N)=O 1063051507 SHNALYKLUYJOJL-UWVGGRQHSA-N 309.370 -0.252 30 20 DBED N#Cc1nccnc1NCC[C@@H]1CCCN(C(=O)C(N)=O)C1 1063293371 UWNPFZDSIKUSRK-JTQLQIEISA-N 302.338 -0.126 30 20 DBED N#Cc1cnc(NC[C@@H]2CCCN2C(=O)[C@H]2COC(=O)N2)cn1 1064901421 CJAHHDFVZXBJQF-WDEREUQCSA-N 316.321 -0.140 30 20 DBED C=CCCC(=O)N1CCO[C@H](CNC(=O)[C@]2(C)CNC(=O)C2)C1 1064961849 SLRDBWAPOGEINJ-WBMJQRKESA-N 323.393 -0.178 30 20 DBED C[C@@]1(NC(=O)[C@H]2C[C@H]2C(N)=O)CCN(c2ccnc(C#N)n2)C1 1065328955 CNEYOOSETUAIMU-HFBDOXOYSA-N 314.349 -0.445 30 20 DBED C#CCOCCC(=O)N1CC2(C1)CN(C(=O)[C@@H](C)C#N)CCO2 1068451111 GYLNLMFIAKLMDN-ZDUSSCGKSA-N 319.361 -0.374 30 20 DBED C=CCCCC(=O)N[C@H]1COC2(C1)CN(C(=O)CC(N)=O)C2 1068994378 FZDVPWYITJHGBJ-LLVKDONJSA-N 309.366 -0.296 30 20 DBED C=CCOCC(=O)N1CC2(C[C@H](NC(=O)[C@H](C)C#N)CO2)C1 1069003546 NJTSZMWREXQZKS-NEPJUHHUSA-N 307.350 -0.165 30 20 DBED C[C@@H]1C[C@H](N=c2cc[nH]c(C#N)n2)CN1C(=O)CS(C)(=O)=O 1069041692 OIYKKEUASLXYSX-ZJUUUORDSA-N 323.378 -0.784 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2cc[n+]([O-])cc2)C1 1069892946 XKGBISFDVRBGNA-KGLIPLIRSA-N 312.333 -0.800 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC[C@@H](NC(=O)CCCC(N)=O)C1 1070728269 MFDMDZZKFGWEGB-QWHCGFSZSA-N 323.393 -0.213 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)Cc4cnn(C)c4)C[C@@]3(C1)O2 1070771137 RBBKPKQRRBRIDP-ZMSDIMECSA-N 314.389 -0.103 30 20 DBED C=C(C)CN1C[C@H]2C[C@H]3CN(C(=O)[C@H]4COC(=O)N4)C[C@@]3(C1)O2 1070793166 AFVJLGVIKBBZDK-VPWBDBDCSA-N 321.377 -0.027 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)c4cncn4C)C[C@@]3(C1)O2 1070821994 PFYCJBWPOBIFKQ-XJKCOSOUSA-N 300.362 -0.031 30 20 DBED C[C@@H]1CN(C(=O)CN2CCCC2=O)C[C@@]2(CCN(CC#N)C2)O1 1071133856 HUEWHLWUUNCETP-CJNGLKHVSA-N 320.393 -0.176 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@@H]1C 1071725936 FHYYUYBCFCNTQT-NWDGAFQWSA-N 314.407 -0.347 30 20 DBED C[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1NC(=O)CC(N)=O 1071875337 ULFOJLNGKFFRDP-KWQFWETISA-N 303.322 -0.662 30 20 DBED CNC(=O)NCC(=O)N[C@H]1CN(C(=O)C#CC(C)(C)C)C[C@@H]1C 1072062641 GANFRMSIRJDMDT-RYUDHWBXSA-N 322.409 -0.072 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(N2CCN(C(=O)CC)CC2)C1 1073518225 KLENCONUPUZXGR-ZDUSSCGKSA-N 307.394 -0.210 30 20 DBED C#CCOCCC(=O)NCC[C@H](C)NC(=O)[C@@H]1COCCO1 1076504269 TXKDUVVRBFCQDI-STQMWFEESA-N 312.366 -0.547 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCCS2(=O)=O)C1 1077451878 VXKKYPQXBKJFNA-JHJVBQTASA-N 316.423 -0.309 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCN(C(=O)CC)C2)C1 1077953660 JEELZAASYBPFBU-BFHYXJOUSA-N 307.394 -0.571 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)[C@]1(C)CCOC1 1078038382 JJNYIWVBIGQCMZ-BLLLJJGKSA-N 323.393 -0.437 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(N(CC)C(=O)[C@H](C)NC(C)=O)C1 1079266530 AGDCIAMEFMUVMH-NWDGAFQWSA-N 323.393 -0.391 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CO)(NC(=O)c2ncccn2)CC1 1080964424 QDJRKHCRDONFCH-LLVKDONJSA-N 317.349 -0.280 30 20 DBED Cc1n[nH]cc1C(=O)N1CCC(CO)(NC(=O)[C@H](C)C#N)CC1 1080983226 IBYYGGKBMFDFJW-SNVBAGLBSA-N 319.365 -0.039 30 20 DBED C#CCN[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1c1ccccc1 1081117074 PHGWTPYMVRVZFH-LSDHHAIUSA-N 310.361 -0.110 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2cnn(C)c2)C1 1081247343 BAVNBCOHPIQQGP-DGCLKSJQSA-N 322.365 -0.828 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(C(=O)c2ccon2)C[C@H]1O 1081468658 MQCBNDFILPLMFM-DGCLKSJQSA-N 303.318 -0.363 30 20 DBED C=CCCCC(=O)NC[C@@H]1CN(C(=O)Cc2nc[nH]n2)C[C@H]1O 1081705984 WVAZZNSXVXNJEC-VXGBXAGGSA-N 321.381 -0.361 30 20 DBED C#CCCN1C[C@@H](NC(=O)[C@@H]2CCCS2(=O)=O)[C@H](OC)C1 1082378714 SPOJTXWSUOLIKV-UPJWGTAASA-N 314.407 -0.598 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2ccn(CC(F)(F)F)n2)C1 1083549039 OABRVNDNJOJWIC-MNOVXSKESA-N 316.283 -0.147 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2nnc3ccccc3c2O)C1 1083824715 KQVPFMGBAHKSEI-OLZOCXBDSA-N 312.329 -0.257 30 20 DBED C#CCN[C@H]1CCCCCN(C(=O)CN2C(=O)CN(C)C2=O)C1 1088423088 JXKIRDLUPHLRBA-ZDUSSCGKSA-N 320.393 -0.126 30 20 DBED C=CCN1CC[C@H](NC(=O)c2ccn(CCOC)n2)[C@@H](O)C1 1090423992 VMEWSUIKZZBRDA-JSGCOSHPSA-N 308.382 -0.120 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2ccc(C(N)=O)nc2)[C@H](O)C1 1090852202 ODCYTUHWLYLNGS-TZMCWYRMSA-N 316.361 -0.631 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H]1C[C@@H](Nc2ncccn2)C1 1091343265 ANHYVJFBUSFJEU-TXEJJXNPSA-N 301.350 -0.077 30 20 DBED COCCCC(=O)N[C@H]1CCN(c2ccc(C#N)nn2)C[C@H]1O 1092137922 PIYKKHSFSZHIIS-QWHCGFSZSA-N 319.365 -0.169 30 20 DBED CC#CCN1CC(n2cc(CNC(=O)c3ccn(C)n3)nn2)C1 1094338308 DUNRPFTWFBDUKH-UHFFFAOYSA-N 313.365 -0.178 30 20 DBED CN1CCOC[C@@H]1C(=O)NCCCNc1nccnc1C#N 1094395463 KGHBLVHFNPHUOG-GFCCVEGCSA-N 304.354 -0.403 30 20 DBED C#CCCN1CC(N2C[C@@H](NC(=O)c3cnsn3)CC2=O)C1 1094709630 NNMZFJODJJBGAS-JTQLQIEISA-N 319.390 -0.424 30 20 DBED C=CCCN1CC(N2C[C@H](NC(=O)[C@H]3CCNC3=O)CC2=O)C1 1094768229 RMXAXTYADAYPRX-YPMHNXCESA-N 320.393 -0.900 30 20 DBED C#CCN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cnc(O)n(C)c1=O)C2 1094977195 ZDMHNQRSAQIEIS-TUAOUCFPSA-N 316.361 -0.298 30 20 DBED CN(C)CCOCC(=O)NCCCN(C)c1nccnc1C#N 1095594684 LTKNARIKVOICIU-UHFFFAOYSA-N 320.397 -0.131 30 20 DBED CCN(CCCNC(=O)Cn1ncnn1)c1ccc(C#N)nc1 1095925110 CDWXJHQVOIPUTB-UHFFFAOYSA-N 314.353 -0.027 30 20 DBED CS(=O)(=O)CC(=O)NC[C@H](Nc1ccc(C#N)nn1)C1CC1 1096612370 ZLKURIYOUBGQSS-NSHDSACASA-N 323.378 -0.300 30 20 DBED COCCO[C@@H](C)C(=O)N[C@H]1C[C@@H](N=c2cc[nH]c(C#N)n2)C1 1097218496 PYGJDGPQZUSFIA-SDDRHHMPSA-N 319.365 -0.119 30 20 DBED C#CCNCc1cn([C@H]2CCN(C(=O)[C@H]3COCCO3)C2)nn1 1098622986 URHJRCUOGSRSCI-UONOGXRCSA-N 319.365 -0.810 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@H](n2cc(CNCCO)nn2)C1 1098673972 WTZCSACRVRRICC-JSGCOSHPSA-N 321.381 -0.828 30 20 DBED N#CCN1C[C@H]2[C@H]3CC[C@@H]([C@H]2C1)N(C(=O)CCNC(N)=O)C3 1099553850 WBIWMLHLCJCNLL-CYDGBPFRSA-N 305.382 -0.263 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CCN(CCN2CCNC2=O)C[C@@H]1O 1099824725 YECAEVVXNLPBKJ-KGLIPLIRSA-N 322.409 -0.778 30 20 DBED C#CCCN1CC[C@H](NC(=O)CCN2C(=O)CCC2=O)[C@H](O)C1 1099908654 HLIBDRSULSDPRE-QWHCGFSZSA-N 321.377 -0.900 30 20 DBED Cc1ccc(C#N)c(N(C)CCNC(=O)Cn2cnnn2)n1 1099913947 CGPRYCRAFBVHPW-UHFFFAOYSA-N 300.326 -0.499 30 20 DBED C#CCCN1CC[C@H](NC(=O)CCc2nc(C)no2)[C@H](O)C1 1099942861 YAVDZJBIHSIEBK-QWHCGFSZSA-N 306.366 -0.115 30 20 DBED C#CCN1CC[C@H](NC(=O)CCCCN2CCOCC2)[C@H](O)C1 1100033473 FQUVGKUMRMIMCK-JKSUJKDBSA-N 323.437 -0.327 30 20 DBED CCn1cc(C(=O)N[C@H]2CCN(CC#CCOC)C[C@@H]2O)nn1 1100054149 UFUITHWSCFHSEZ-JSGCOSHPSA-N 321.381 -0.887 30 20 DBED C#CCN1CC[C@H](NC(=O)COCc2cccnc2)[C@H](O)C1 1100090328 SDUSCIXIOUKYMS-LSDHHAIUSA-N 303.362 -0.217 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)c2ocnc2C)C1 1100219056 ORQOLYMZJDOHON-UHFFFAOYSA-N 304.350 -0.170 30 20 DBED Cc1cc(C#N)nc(N(C)CCNC(=O)[C@H]2CCC(=O)N2C)n1 1100280177 XOXSHOGDIWRWKS-GFCCVEGCSA-N 316.365 -0.170 30 20 DBED COCC(=O)N[C@H](C)C(=O)NCCN(C)c1ccncc1C#N 1100378021 DGWUTYHEAJGRAA-LLVKDONJSA-N 319.365 -0.343 30 20 DBED Cc1nc(C)c(C(=O)NCC2CC(NCC(=O)NCC#N)C2)[nH]1 1100682657 VFTGNAKVBPYSJW-UHFFFAOYSA-N 318.381 -0.236 30 20 DBED COCC#CCNC1CC(CNC(=O)c2cc(C(N)=O)c[nH]2)C1 1100786904 FQWMSGMUWHPCKL-UHFFFAOYSA-N 318.377 -0.139 30 20 DBED C=CCOCC(=O)NC[C@@H]1CCN(c2nccn3nnnc23)C1 1100946236 QCRSLTDHCURZAB-NSHDSACASA-N 317.353 -0.336 30 20 DBED CC(=O)N1CC(C(=O)N(C)CCN=c2cc[nH]cc2C#N)C1 1101562938 HFZJHIBPMCLCHX-UHFFFAOYSA-N 301.350 -0.276 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](C)[C@H](CNC(=O)COCC)C1 1101701766 JYLKXUCJISNARR-HZSPNIEDSA-N 309.410 -0.155 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)[C@H]1CCC(=O)NC1 1102027250 BAYNETSYYRJQAY-JTQLQIEISA-N 302.338 -0.833 30 20 DBED CC[C@H](CNC(=O)C[C@H]1CCNC1=O)N=c1cc[nH]c(C#N)n1 1103214447 SEVHUWQVQADDFX-GHMZBOCLSA-N 316.365 -0.397 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(c2cnc(C#N)cn2)CCO1 1104297997 KMFAMAVNHRCTDT-ZDUSSCGKSA-N 317.349 -0.128 30 20 DBED N#CCNCc1cn(C2CN(C(=O)c3cncnc3O)C2)nn1 1105266044 NFGCUDBDXJRLPD-UHFFFAOYSA-N 314.309 -0.916 30 20 DBED CN(CCN(C)c1ccc(C#N)nn1)C(=O)c1ncn(C)n1 1105384884 QOEDUXRKCKHGFZ-UHFFFAOYSA-N 300.326 -0.315 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)Cn2cccn2)C[C@H]1C 1105821080 YZNMKACABASLOQ-ZIAGYGMSSA-N 317.393 -0.683 30 20 DBED COC[C@@H](OC)C(=O)NC[C@@H](O)CNc1ccc(C#N)cn1 1106086455 GQVCQOIRPUQRQB-NWDGAFQWSA-N 308.338 -0.496 30 20 DBED C[C@H](CCN=c1cc[nH]cc1C#N)NC(=O)[C@@H]1COC(=O)N1 1106313147 IIEKFWKKQWGFMX-SKDRFNHKSA-N 303.322 -0.210 30 20 DBED C[C@H](CCN=c1cc[nH]cc1C#N)NC(=O)C1(C(N)=O)CC1 1106549915 KPHGHTSQMCVIFD-SNVBAGLBSA-N 301.350 -0.053 30 20 DBED C#CCNC[C@@H]1CN(C(=O)[C@@H](C)NS(C)(=O)=O)C[C@H]1C 1106703346 JKQVCRAUQRFFAK-IJLUTSLNSA-N 301.412 -0.759 30 20 DBED CO[C@@H](C(=O)NC[C@@]1(C)CN(CC#N)CCO1)c1cnn(C)c1 1108098829 ANZLSSXXUFKVAD-HIFRSBDPSA-N 321.381 -0.162 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)[C@H]2CCc3nncn3C2)C1 1108416836 XZVIWGUNLQRYKG-BBRMVZONSA-N 317.393 -0.319 30 20 DBED CN(CCCNc1cncc(C#N)n1)C(=O)CCNC(N)=O 1109450809 LCYSHQVJXMLOQQ-UHFFFAOYSA-N 305.342 -0.333 30 20 DBED N#Cc1cnc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)CCCC(N)=O)cn1 1109711325 DGCLKFZHVZGKKA-BPYAMOTFSA-N 314.349 -0.303 30 20 DBED N#Cc1nccnc1NC[C@@H](NC(=O)[C@H]1C[C@H]1C(N)=O)C1CC1 1109978470 SSAMTBFCJMYDIM-JFGNBEQYSA-N 314.349 -0.224 30 20 DBED C#CCNC(=O)CC(=O)NCC1(Nc2cnc(C#N)cn2)CC1 1110105356 AJFYVWLNMLGYCK-UHFFFAOYSA-N 312.333 -0.452 30 20 DBED N#Cc1c[nH]ccc1=NC1(CNC(=O)[C@H]2CCNC(=O)C2)CC1 1110120547 KMHDKYWEKZOUEP-NSHDSACASA-N 313.361 -0.038 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)COC(C)C 1110357222 KLVRDUXGDDYDPS-MCIONIFRSA-N 307.394 -0.118 30 20 DBED CC(=O)N[C@H](C)C(=O)N[C@@]1(C)CCN(c2nccnc2C#N)C1 1110716436 BITWRZAACPUYCE-BMIGLBTASA-N 316.365 -0.042 30 20 DBED COCC(=O)NC[C@@]1(O)CCN(c2nc(C)cc(C#N)n2)C1 1111033631 UMBZAGMHTAOTDD-AWEZNQCLSA-N 305.338 -0.640 30 20 DBED N#Cc1cccnc1NCCN(CCO)C(=O)[C@@H]1CCNC1=O 1111535335 PQXODWURPZYATF-GFCCVEGCSA-N 317.349 -0.678 30 20 DBED C[C@@H]1CN(C(=O)CCNC(N)=O)C[C@@H]1Nc1nccnc1C#N 1112312178 CGTDRDWYTQQLQD-KOLCDFICSA-N 317.353 -0.335 30 20 DBED CCOCC(=O)NC[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1O 1112692833 SPRKXGSDYKGMMK-GHMZBOCLSA-N 305.338 -0.702 30 20 DBED COCC#CCN1CCN(C(=O)c2cn(C)c(=O)n2C)CC1 1113693274 CGAYLKFPYJGHLQ-UHFFFAOYSA-N 306.366 -0.869 30 20 DBED N#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3cc(Cl)c[nH]3)[C@H]2C1 1113854109 BRLCYNUKDYUDCT-IWIIMEHWSA-N 321.768 -0.032 30 20 DBED CC#CCN1C[C@H]2[C@H](NC(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)[C@H]2C1 1114596255 RUIQNPXKGLFDFK-NJURLYQPSA-N 319.405 -0.131 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)c3csnn3)[C@@H]2C1 1114635597 KXXGWHNQSUQMDF-RKDXNWHRSA-N 307.379 -0.500 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)C[C@@H]3CCC(=O)N3)[C@@H]2C1 1114960020 OQNLBPWDRLZEGJ-YNEHKIRRSA-N 305.378 -0.649 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)c3ccc(OC)o3)[C@@H]2C1 1115007092 FCJRCENELFLKRW-GHMZBOCLSA-N 317.345 -0.302 30 20 DBED C=CCOCCN1C[C@H]2C(NC(=O)CCn3cnnn3)[C@@H]2C1 1115018607 VHEMNGZWHNPUQE-VXGBXAGGSA-N 306.370 -0.688 30 20 DBED CC(=O)NCC(=O)NCCOCCCNc1nccnc1C#N 1115375669 PCYRLWVUVLIENZ-UHFFFAOYSA-N 320.353 -0.581 30 20 DBED N#Cc1cc(NC(=O)C(=O)NN2CC(=O)NC2=O)ccc1Cl 1116836789 JLHQDDOYVIDDPW-UHFFFAOYSA-N 321.680 -0.267 30 20 DBED N#CCOc1ccc(CNC(=O)C(=O)N2CCNC(=O)C2)cc1 1117258930 OVUDBHIJANCVQC-UHFFFAOYSA-N 316.317 -0.836 30 20 DBED CCn1cc(CN(C)C(=O)C(=O)N2CC[C@](O)(CC#N)C2)cn1 1118249566 OBDGRDLGJQYLPM-OAHLLOKOSA-N 319.365 -0.262 30 20 DBED CCN(CC#N)CC(=O)NC1CCN(S(C)(=O)=O)CC1 1119306765 UFZDBJGEQUMIIV-UHFFFAOYSA-N 302.400 -0.628 30 20 DBED Cc1occc1C(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1 1121019130 XULODFWIEDTICV-SNVBAGLBSA-N 301.306 -0.126 30 20 DBED CCc1nc[nH]c1C(=O)NC[C@H](CO)Nc1cncc(C#N)n1 1121874979 LDCVTLHFGOBLNO-SNVBAGLBSA-N 315.337 -0.163 30 20 DBED Cc1cncn1CC(=O)NC[C@H](CO)Nc1nccnc1C#N 1122238233 GXGYHEITVXQZRX-LLVKDONJSA-N 315.337 -0.558 30 20 DBED N#Cc1cnc(N[C@H](CO)CNC(=O)CCn2ccnc2)cn1 1122379725 XJAZMPNLKASORV-LBPRGKRZSA-N 315.337 -0.476 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]cc1C#N)C(=O)c1cn(C)cn1 1124245566 FGXQPVZOIANMCB-GFCCVEGCSA-N 314.349 -0.346 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]cc1C#N)C(=O)c1ccncn1 1124466537 TUOALKHLKBYSLD-LBPRGKRZSA-N 312.333 -0.290 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)[C@H](C)CSC 1124850870 OLFNTBZBNCCDOG-SNVBAGLBSA-N 316.427 -0.297 30 20 DBED C#CCCNCc1nnc2n1CC[C@@H](NC(=O)COC)CC2 1127904026 CSHOCPBBHDGBCF-LBPRGKRZSA-N 305.382 -0.142 30 20 DBED C=C[C@@H](CC)CC(=O)N[C@@H]1CN(CC(N)=O)C[C@@H]1n1ccnn1 1129184961 KHKMTKGCLWENMH-XQQFMLRXSA-N 320.397 -0.293 30 20 DBED C=C(C)CN(CC)C(=O)CNCCNC(=O)[C@@H]1CCCNC1=O 1129953079 DJXYLPCOUKITIH-CYBMUJFWSA-N 324.425 -0.357 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)[C@@H](CC)NC(C)=O)C[C@@]3(C1)O2 1131273541 IWARRNULAFNKRC-KCYZZUKISA-N 319.405 -0.164 30 20 DBED C#CCN1C[C@@H](NC(=O)CNS(=O)(=O)CC)CC[C@@H]1C 1132085905 AQHDLHJCDASKJD-RYUDHWBXSA-N 301.412 -0.472 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)CCN(C)C)CC[C@@H]1C 1132272946 CJNIGUYBPUCNMD-KBPBESRZSA-N 308.426 -0.343 30 20 DBED C=CCNC[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)CC[C@H]1C 1132928655 SYLLGFFUNUEBMZ-CHWSQXEVSA-N 307.398 -0.158 30 20 DBED Cc1ccc(C(=O)N[C@H](C)C[C@H](C)NCC(=O)NCC#N)nn1 1134332874 IQWREBAKDVTSIR-NWDGAFQWSA-N 318.381 -0.089 30 20 DBED C=C(C)CN(CC)C(=O)CNCCNC(=O)CCn1cnnn1 1135677430 HSQUJOIGSXRVNW-UHFFFAOYSA-N 323.401 -0.806 30 20 DBED C#Cc1ccc(C(=O)NCCNCCN2CCNC2=O)cn1 1148383123 UAFDNQLZVCWNFL-UHFFFAOYSA-N 301.350 -0.593 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)CNC(=O)c2ccoc2)C1 1149752528 FKDXCRMTGWCGSD-CQSZACIVSA-N 319.361 -0.150 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)C[C@H]2CCCC(=O)N2)C1 1149960128 NGYFPKLZXKRVTG-ZIAGYGMSSA-N 307.394 -0.115 30 20 DBED C=CCN1CCCO[C@@H](CNC(=O)Cn2nc(C)n(C)c2=O)C1 1150663357 IRVIULGZTVJXGX-ZDUSSCGKSA-N 323.397 -0.717 30 20 DBED CN(CC#N)C[C@H]1CCCCN1C(=O)CCCS(N)(=O)=O 1158419667 VUNDSKITDPABIK-GFCCVEGCSA-N 316.427 -0.108 30 20 DBED C#CCCN1CC=C(CCNC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 1161343830 VFEQLBNQAGGYTF-ZDUSSCGKSA-N 318.377 -0.254 30 20 DBED C=CCNC(=O)CNCCCNC(=O)C1(C(=O)N(C)C)CC1 1170741212 YDVMTOLISBFUOA-UHFFFAOYSA-N 310.398 -0.747 30 20 DBED CCN(CCC#N)C(=O)CNCCCNC(=O)[C@H]1CCN(C)C1 1176072590 ZMRZCVRPEKVNQS-AWEZNQCLSA-N 323.441 -0.204 30 20 DBED CN(C)CCOCC(=O)N1CC[C@H]2OCCN(CC#N)[C@H]2C1 1177139325 QPEXLDBSNFWZHK-UONOGXRCSA-N 310.398 -0.610 30 20 DBED N#CCSCC(=O)N1CC[C@@H](NCCN2CCNC2=O)C1 1181106515 HMXWMZUQQJARCD-LLVKDONJSA-N 311.411 -0.541 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](NCC(=O)Nc2nncs2)C1 1181653312 XOYZXVJDRIBTJI-DTWKUNHWSA-N 308.367 -0.173 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2csnn2)C1 1184668196 GKICYYUWVDSILB-VHSXEESVSA-N 307.379 -0.520 30 20 DBED C[C@@H]1CN(C(=O)c2nc[nH]n2)CC[C@@H]1CNCC(=O)NCC#N 1185358418 HBCMPQZIFOAROU-GHMZBOCLSA-N 319.369 -0.868 30 20 DBED C=CCNC[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)CC12CCOCC2 1186465083 XCKOFRPFBKBRID-OLZOCXBDSA-N 322.409 -0.301 30 20 DBED C#CCN1CCC(C(=O)N2CC[C@@H](NCC(=O)NC)C2)CC1 1188090622 GSGFUUNTLFMQCF-CQSZACIVSA-N 306.410 -0.732 30 20 DBED Cc1[nH]nc(C(=O)N2CC[C@H](N(C)CC(=O)NCC#N)C2)c1O 1189663253 BWQOXUDYJBAFGN-JTQLQIEISA-N 320.353 -0.790 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)CCc2cnn[nH]2)C1 1192406560 JTGFMUVLVAMAQA-ZDUSSCGKSA-N 318.381 -0.981 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)Cc2cnc[nH]2)C1 1192549933 CKNPPQYBGYQMIS-CYBMUJFWSA-N 305.382 -0.213 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)c2ccc(C)nn2)C1 1192761650 KKRUEQMVSRFKGA-ZIAGYGMSSA-N 306.366 -0.237 30 20 DBED CCn1ccnc1CN1C[C@@H](O)[C@H](NC(=O)C#CC2CC2)C1 1192770333 KDYDEQGXXSLCMV-ZIAGYGMSSA-N 302.378 -0.022 30 20 DBED Cc1occc(=O)c1OCC(=O)N[C@@H]1CN(CC#N)C[C@H]1O 1194594203 ROTNMYBBLVAJMX-ZYHUDNBSSA-N 307.306 -0.988 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)C(C)(C)NS(C)(=O)=O)C1 1196739398 NXWMHVDXNGTXKR-GHMZBOCLSA-N 319.427 -0.948 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2C2CCC2)C1 1196798992 XRRUALXKOICEKG-GBJTYRQASA-N 321.421 -0.114 30 20 DBED Cc1n[nH]c(C)c1C[C@H](C)C(=O)N[C@@H]1CN(CC#N)C[C@H]1O 1198809827 LFSKAPVNFCLSBE-CUOATXAZSA-N 305.382 -0.110 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)Cn2cc(C)cn2)[C@H](C)C1 1206295618 LOSLMMXXWRIKNP-ZIAGYGMSSA-N 319.409 -0.070 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)[C@H]2CCO[C@H]2C)CC1 1206687605 BIMMDTUGYULLTL-ZFWWWQNUSA-N 321.421 -0.011 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)[C@H]1CCCOCC1 1206909966 FEUHLNVAMBTZQK-HZSPNIEDSA-N 322.409 -0.121 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@H](NCc2cnon2)C1 1207872191 LZYYBZMMHUTCGP-NSHDSACASA-N 305.338 -0.710 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)CCN(C)CC)[C@H](C)C1 1210040254 DIHCRWVDPIBWRB-RBSFLKMASA-N 322.453 -0.097 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCCN(C(=O)c2cccnn2)C1 1210274779 SOEQJIXUPOJHEZ-QWHCGFSZSA-N 315.377 -0.191 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)c2cn[nH]c2)[C@H](OC)C1 1211908469 GBDDVFTVDMMMBY-CYZMBNFOSA-N 321.381 -0.471 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2[C@@H](C1)OCCN2C(=O)C(F)F 1217166096 PVFMJOOWZYFWOS-GARJFASQSA-N 315.320 -0.699 30 20 DBED CCn1nnc(C)c1CN1C[C@H](O)[C@H](NC(=O)[C@@H](C)C#N)C1 1219379364 RYKYWOAKRGQMJJ-NDMJEZRESA-N 306.370 -0.573 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)C2CC=CC2)C1 1219401191 QOPBUVKXUITODG-YUTCNCBUSA-N 307.394 -0.195 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)CN2CCC[C@H]2C)C1 1220351716 GDRHYQUUJPNTDY-KFWWJZLASA-N 311.426 -0.165 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)c2ccnc(C)n2)C1 1220987206 JPIVNBODEBOAPB-KGLIPLIRSA-N 304.350 -0.790 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)[C@H]2CCNC(=O)C2)CC1 1226866540 FZQOWXJMXCZUQV-LBPRGKRZSA-N 322.409 -0.605 30 20 DBED COCC#CCN1CCC(NC(=O)C[C@@H](C)NC(N)=O)CC1 1227362633 XWSMMGRYMRSQOG-GFCCVEGCSA-N 310.398 -0.336 30 20 DBED C=CCOCCN1CCC(NC(=O)CN2C(=O)CNC2=O)CC1 1230194248 WMOPOOAZGGSBGJ-UHFFFAOYSA-N 324.381 -0.679 30 20 DBED C=CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)Cc1ccnn1C 1233966928 SDNIHBHYAQVOFN-CQSZACIVSA-N 319.409 -0.203 30 20 DBED C#CCC1(C(=O)N(C)C[C@H]2CCN2CC(=O)NC(N)=O)CCC1 1235208638 DGTJFNZPPTVNBM-GFCCVEGCSA-N 320.393 -0.092 30 20 DBED C=C(C)CN1CCC(NC(=O)C(=O)NCCCC(=O)NC)CC1 1257248288 GMPRPTPMRXHXIJ-UHFFFAOYSA-N 324.425 -0.215 30 20 DBED CC(C)NC(=O)CN(C)C(=O)C(=O)Nc1ccn(CCC#N)n1 1319043174 TUPBJPOPNYQIMK-UHFFFAOYSA-N 320.353 -0.282 30 20 DBED COCCOC[C@@H](C)NC(=O)C(=O)Nc1ccn(CCC#N)n1 1319537031 WKJYHUCRMMWRFO-LLVKDONJSA-N 323.353 -0.097 30 20 DBED C[C@@H]1CN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)C[C@H](CO)O1 1320634673 YKXTVRMIXACTDW-ZMHKRQFYSA-N 323.349 -0.489 30 20 DBED N#CC1(NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 1321864302 NFIQREINXWVBQB-VIFPVBQESA-N 324.362 -0.676 30 20 DBED C=C(C)COCCNC(=O)C(=O)N[C@H](C)CS(C)(=O)=O 1323035641 SHVSYVBNLXHILJ-SNVBAGLBSA-N 306.384 -0.755 30 20 DBED N#CCNC(=O)CNC(=O)c1cccnc1N1CCOCC1 1323752581 VHDVXHKBDBESCK-UHFFFAOYSA-N 303.322 -0.712 30 20 DBED Cn1cc(Br)c(C(=O)NCC(=O)NCC#N)n1 1328467208 APIDLRIUCSTTRQ-UHFFFAOYSA-N 300.116 -0.448 30 20 DBED C#CC[C@@H](NC(=O)N(C)[C@H]1CCS(=O)(=O)C1)C(=O)OC 1329368108 FRNVGQSNSAIGPD-VHSXEESVSA-N 302.352 -0.620 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N2CCC(O)CC2)CCN1C1CC1 1329511146 NMEOUTNBKRGBDW-GFCCVEGCSA-N 306.366 -0.832 30 20 DBED CN1CCC[C@H](NC(=O)C(=O)NCC#Cc2ccccc2)C1=O 1329870687 FBMDMNXTWRMAES-AWEZNQCLSA-N 313.357 -0.109 30 20 DBED COc1ccc(CNC(=O)C(=O)N2CC[C@](O)(CC#N)C2)nc1 1332222031 GWHYQUSJNLCNEB-OAHLLOKOSA-N 318.333 -0.417 30 20 DBED CN(C)CC#CCNC(=O)Nc1cnn(CC(=O)NC2CC2)c1 1332966270 BGNHDEYEVNISFN-UHFFFAOYSA-N 318.381 -0.152 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)NC2CC(C)C2)CC1 1336750268 FGXGUPRUSWKNEU-UHFFFAOYSA-N 314.411 -0.420 30 20 DBED N#C[C@H]1CCCN(C(=O)C(=O)NCCCN2CCNCC2)C1 1338291897 POQZTIUULSPJRN-CYBMUJFWSA-N 307.398 -0.840 30 20 DBED C=C[C@](C)(O)Cc1nc(CCN(C)S(=O)(=O)N(C)C)no1 1338325529 AFDIDCDSRJIKSE-LBPRGKRZSA-N 318.399 -0.170 30 20 DBED C#CCNCC(=O)NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 1341502653 NZJTXYMWNQUUBJ-AUZPSNTRSA-N 301.346 -0.868 30 20 DBED CC(C)N1CC[C@H](NC(=O)C(=O)NCC2(CC#N)CC2)C1=O 1342138346 JWSWAMVWAJKZMG-NSHDSACASA-N 306.366 -0.078 30 20 DBED C#C[C@@H](C)N(C)c1nnc(Cn2cc(CCO)nn2)n1CC 1342523433 CCWNDDGCBFHNQW-LLVKDONJSA-N 303.370 -0.070 30 20 DBED C=C(C)Cn1c(N2CCCNC(=O)C2)nnc1[C@]1(O)CCOC1 1343351082 RFADZLURFUYDSN-HNNXBMFYSA-N 321.381 -0.212 30 20 DBED C[C@H](NC(=O)C(=O)N1CCC[C@@H](CC#N)C1)[C@H]1CN(C)CCO1 1350823284 RGYSSEIVESYJOL-MELADBBJSA-N 322.409 -0.026 30 20 DBED C[C@@H](C(=O)N1CCO[C@@H](C#N)C1)S(=O)(=O)C1CCOCC1 1362126668 OOHBWEWODYRFGP-QWRGUYRKSA-N 316.379 -0.280 30 20 DBED CC(C)N1CC[C@@H](N(C)C(=O)Cn2cc(C#N)c(O)nc2=O)C1 1363442488 UYBNYAKLWUXFQI-GFCCVEGCSA-N 319.365 -0.238 30 20 DBED C[C@@H]1CN(C(=O)NCCn2cnc(C#N)n2)CC[S@](=O)C1 1365154964 LIDSOAXDKRYKKI-UZJPJQLHSA-N 310.383 -0.440 30 20 DBED CC[C@H](CC#N)NCC(=O)NC1CCN(S(C)(=O)=O)CC1 1365306130 SFZOUXIWDIARKK-LLVKDONJSA-N 316.427 -0.192 30 20 DBED COc1cc(C(=O)N(C)C[C@@H](O)CNC(=O)[C@H](C)C#N)ccn1 1384239674 XQJYSZJPNNGIRQ-PWSUYJOCSA-N 320.349 -0.201 30 20 DBED CO[C@H](C)CC(=O)N1CCN(CCNC(=O)[C@H](C)C#N)CC1 1385571326 MLWLFTCUZQHQDQ-CHWSQXEVSA-N 310.398 -0.169 30 20 DBED C[C@@H](CNC(=O)CNC(=O)c1ccncc1)NC(=O)[C@H](C)C#N 1386305922 YKWFCASMVXFSMS-MNOVXSKESA-N 317.349 -0.408 30 20 DBED C[C@@H](C#N)C(=O)NCC1CN(C(=O)[C@@H]2CCCC(=O)N2C)C1 1387926560 TYQWDAKDKJWORW-JQWIXIFHSA-N 306.366 -0.268 30 20 DBED CC(C)OCCC(=O)NC[C@@H](O)CNC(=O)c1cc(C#N)c[nH]1 1389070982 YZEAAKDRUPYXBS-GFCCVEGCSA-N 322.365 -0.092 30 20 DBED CC[C@@H](NC(C)=O)C(=O)NC1CN(C(=O)c2cc(C#N)c[nH]2)C1 1398702330 HTNNWPQYKAXSKN-GFCCVEGCSA-N 317.349 -0.258 30 20 DBED CCN1CCOC[C@@H]1C(=O)N1CC(CNC(=O)[C@@H](C)C#N)C1 1398814737 NNJZXIFUIZBWAG-WCQYABFASA-N 308.382 -0.559 30 20 DBED CC(C)NC(=O)NC(=O)[C@@H](C)NCCN(C)C(=O)[C@@H](C)C#N 1400069653 NDXLBCJTKAOKCJ-WDEREUQCSA-N 311.386 -0.183 30 20 DBED CC(=O)N1CCC[C@@H]1C(=O)N1CC[C@H](NC(=O)[C@H](C)C#N)C1 1407767601 JRPMRFCKEKCACQ-KGYLQXTDSA-N 306.366 -0.126 30 20 DBED C=C(Cl)CN(C)[C@H](C)CNC(=O)c1cn(CC(N)=O)nn1 1409685025 KZEOMMZGIUBAMW-SECBINFHSA-N 314.777 -0.434 30 20 DBED CCNC(=O)[C@@H](NC(=O)Cn1cc(C#N)c(O)nc1=O)C(C)C 1412166902 ACUIIYLWKNKXRN-NSHDSACASA-N 321.337 -0.903 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CCCN1C(=O)[C@H]1CCCC(=O)N1 1416402539 FCKGPZFMYIBEBE-IJLUTSLNSA-N 306.366 -0.078 30 20 DBED Cc1nn(C)cc1C(=O)NC[C@@]1(O)CCN(C(=O)[C@@H](C)C#N)C1 1417435063 RBPAULIKFBFAMJ-BONVTDFDSA-N 319.365 -0.419 30 20 DBED C[C@@H](CNC(=O)CCn1cc(C#N)c(O)nc1=O)CN(C)C 1417881585 GPKZZVXEUDJOHE-JTQLQIEISA-N 307.354 -0.475 30 20 DBED C=C(Cl)CN1CC[C@@H](CNC(=O)Cn2ncn(C)c2=O)C1 1418666420 CFCLGERAEKEWQD-NSHDSACASA-N 313.789 -0.228 30 20 DBED C[C@H](NC(=O)CN1CCOCC1)C1CN(C(=O)[C@H](C)C#N)C1 1424509380 OOWGYAJTOCDRRV-NEPJUHHUSA-N 308.382 -0.559 30 20 DBED CCN(CCNC(=O)[C@H](C)C#N)C(=O)[C@H]1CCCS1(=O)=O 1431686734 DCTIUBQJHJUKIL-GHMZBOCLSA-N 315.395 -0.312 30 20 DBED CCN(C(=O)Cn1cncn1)[C@@H]1CCN(C(=O)[C@H](C)C#N)C1 1432565577 FEVJKGUYEXGMIS-VXGBXAGGSA-N 304.354 -0.113 30 20 DBED Cn1nncc1C(=O)NCC1(NC(=O)c2cc(C#N)c[nH]2)CC1 1433884772 UGJJQVXFMVMPIN-UHFFFAOYSA-N 313.321 -0.293 30 20 DBED CC(=O)NCC(=O)NC[C@H](O)CNCc1ccc(F)c(C#N)c1 1445136315 IAWJRYQKPOACBJ-CYBMUJFWSA-N 322.340 -0.600 30 20 DBED C=CCNC(=O)[C@@H](C)NC[C@H]1CCCCN1C(=O)CNC(C)=O 1480336988 IHQPIYKSSBYSJB-TZMCWYRMSA-N 324.425 -0.216 30 20 DBED CCN1C[C@@H](C(=O)NCC[C@H](C)NCC#CCOC)CC1=O 1484993470 STIFHDWVPNLXOP-KBPBESRZSA-N 309.410 -0.011 30 20 DBED CCN(CCNC(=O)[C@H](C)C#N)C(=O)Cn1ccccc1=O 1496939531 VDJPLVFPTPIWRL-GFCCVEGCSA-N 304.350 -0.027 30 20 DBED CC[C@@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)CNC(=O)NC 1498996248 DQTZHQDMRHLZBR-JTQLQIEISA-N 320.353 -0.560 30 20 DBED C=C(C)CN(CC)C(=O)CNC[C@H]1CCCN1C(=O)CC(N)=O 1499883402 VXWOAKBADLFBAP-CYBMUJFWSA-N 324.425 -0.133 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 1566661372 XBCCVOGWLMRBDN-LBPRGKRZSA-N 301.350 -0.007 30 20 DBED CC(C)(CCNC(=O)CCn1cc(C#N)c(O)nc1=O)C(=O)O 1571152496 CKWDQINPOQVJSO-UHFFFAOYSA-N 322.321 -0.172 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](Nc2cnc(-c3nn[nH]n3)cn2)C1 1573570048 IWLIVXNIYVQEQQ-IUCAKERBSA-N 313.325 -0.171 30 20 DBED Cc1nc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)O)ccc1C#N 1574418377 OUEKUYYCDVXDTL-NSHDSACASA-N 323.330 -0.415 30 20 DBED COC(=O)[C@H](Cc1cnn[nH]1)NS(=O)(=O)CCCCC#N 1576912306 ANUYHGMRAOCYLB-JTQLQIEISA-N 315.355 -0.498 30 20 DBED COC(=O)CNC(=O)[C@H]1CCCN1C(=O)[C@@H](N)CCCC#N 1578812106 JEYFHYXANCTSCH-WDEREUQCSA-N 310.354 -0.712 30 20 DBED C#CCN(CC(=O)O)c1nnnn1CC1(COC)CCOCC1 1588427345 URKQFCDUUFPPTJ-UHFFFAOYSA-N 323.353 -0.360 30 20 DBED C[C@@H](C(=O)Nc1ccc(-c2nn[nH]n2)cn1)n1cnc(C#N)n1 1589015449 KSUAEYMKKZKWPS-ZETCQYMHSA-N 310.281 -0.075 30 20 DBED COC(=O)CC[C@H](NS(=O)(=O)CC(C)(C)C#N)C(=O)O 1593850034 XNSFHJUUOMWOMC-QMMMGPOBSA-N 306.340 -0.138 30 20 DBED N#C[C@@H]1COCCN1S(=O)(=O)c1csnc1C(=O)O 1601062751 JKYPPRGSZYSNKC-ZCFIWIBFSA-N 303.321 -0.246 30 20 DBED CC(C)(C)C#CC(=O)NC[C@@H](CO)N=c1cc[nH]c(C(=O)O)n1 1603295746 MMMIXYMNCSXAJS-JTQLQIEISA-N 320.349 -0.465 30 20 DBED CS(=O)(=O)N[C@H]1CCCN(C(=O)C2(C#N)CCOCC2)C1 1647369095 QBOJOLZATPQEPX-NSHDSACASA-N 315.395 -0.153 30 20 DBED CN(CCCO)C1CCN(C(=O)Cn2cnc(C#N)n2)CC1 1649732304 VWSDVOOGQIYAPL-UHFFFAOYSA-N 306.370 -0.545 30 20 DBED C[C@H](C#N)C(=O)NC1C[C@@H]2CC[C@H](C1)N2CC(=O)NCC#N 1752689306 HBWRKFGBEQDIIO-ODWCKFRGSA-N 303.366 -0.103 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H](C)CNC(=O)c1ccc(=O)n(C)c1 1752884872 HTWANATXARFGOE-NEPJUHHUSA-N 318.377 -0.769 30 20 DBED C#CCNC(=O)CNC[C@@H]1CCN(C(=O)Cc2cc[nH]n2)C1 1752936773 WIFRAXWRXDGTMU-LBPRGKRZSA-N 303.366 -0.860 30 20 DBED C#CCOCCC(=O)NCCN(C)Cc1nnc2n1CCOC2 1753048716 CDNSKMHUHAWMTE-UHFFFAOYSA-N 321.381 -0.604 30 20 DBED CCN(CC#CCOC)CCNC(=O)[C@@]1(CC)CCNC1=O 1753083330 AIHHTGIHRAETMV-INIZCTEOSA-N 309.410 -0.009 30 20 DBED C=CCn1cc(C(=O)NC2CN(CC(=O)NC(C)(C)C)C2)nn1 1753387846 AJTGKCSPORVJSR-UHFFFAOYSA-N 320.397 -0.207 30 20 DBED C#CCNC(=O)CNCC[C@H]1CCCN(C(=O)[C@@H]2CCOC2)C1 1753542352 HGYFCHJJAQKXHT-HUUCEWRRSA-N 321.421 -0.009 30 20 DBED CC#CCN[C@@H](CNC(=O)CCCS(N)(=O)=O)C(C)C 1753836702 CJGYGNAZSSFIDB-LBPRGKRZSA-N 303.428 -0.191 30 20 DBED C#CCNC(=O)CNC[C@H](O)CNC(=O)[C@H]1CCCC1(C)C 1753924249 YBIBIARKTXXTNI-QWHCGFSZSA-N 309.410 -0.371 30 20 DBED C=CCN1CC[C@@H](NCCN(CC)C(=O)C2(C(N)=O)CC2)C1=O 1754064197 NSFVCKQYRUFTRD-GFCCVEGCSA-N 322.409 -0.523 30 20 DBED C=CCOCCN1C[C@H]2C[C@H]1[C@H]2NC(=O)c1ccc(=O)n(C)n1 1754430984 XVXVITWHBINCLM-ZLDLUXBVSA-N 318.377 -0.215 30 20 DBED CC#CCN1CCC(C)(CNC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 1754720025 GIMWQZJKYYATKO-LBPRGKRZSA-N 320.393 -0.174 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H]1COCCN1Cc1nonc1C 1754967438 IIMCZFAWIJCWJR-OLZOCXBDSA-N 322.365 -0.267 30 20 DBED COCC#CCNCC1(NC(=O)Cc2cnc[nH]2)CCOCC1 1755098873 IHLLZRSPQUVVND-UHFFFAOYSA-N 320.393 -0.143 30 20 DBED CNC(=O)NC(=O)[C@@H](C)N(C)[C@@H](C)CNC(=O)C#CC1CC1 1755299844 HJWACQNDUPUEGB-WDEREUQCSA-N 308.382 -0.320 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@@]2(C)CN(C(=O)C(N)=O)C[C@@]2(C)C1 1755460255 DQSPZBLWSUVCEB-LYRGGWFBSA-N 322.409 -0.667 30 20 DBED N#CCN[C@@H](CO)CNC(=O)c1cccc(-n2ccnn2)c1 1755649158 PCKJHOAHAXITFS-GFCCVEGCSA-N 300.322 -0.529 30 20 DBED C#CCN1CC[C@]2(NC(=O)C[C@H](NC(C)=O)C(N)=O)CCC[C@@H]12 1755702140 TVCWOJOZFXWVGR-WOSRLPQWSA-N 320.393 -0.887 30 20 DBED C[C@H](CNC(=O)C1CS(=O)(=O)C1)N(C)C(=O)C#CC1CC1 1756029921 PYQDMQVEBKTKTH-SNVBAGLBSA-N 312.391 -0.593 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](C)CCCNC(=O)CN1C(=O)CNC1=O 1756342408 XZDGNTVWTHRHCF-VHSXEESVSA-N 323.353 -0.901 30 20 DBED C[C@H]1CCCN1CC(=O)NC[C@H](O)CN(C)C(=O)C#CC1CC1 1756662153 ITRPADFFEOVFQC-ZFWWWQNUSA-N 321.421 -0.180 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)c2nc(C)c[nH]2)C[C@H]1OC 1757119914 DZFHJIXBACJVKQ-VXGBXAGGSA-N 322.365 -0.124 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(C(=O)C2(CF)CC2)C[C@@H]1O 1757174020 PSXZTYCWJBZFFU-TUAOUCFPSA-N 312.341 -0.538 30 20 DBED C=CCCOCC(=O)N(C)C[C@@H]1CCN1C(=O)c1nnn(C)n1 1757293207 CUPLMFDCMPHHAG-NSHDSACASA-N 322.369 -0.524 30 20 DBED Cn1cc(C(=O)O)cc1C=NN1C(=O)[C@@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C1=O 1776101931 BWXNCBBEEVRDKU-KKOKHZNYSA-N 315.285 -0.004 30 20 DBED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccnnc3O)C2)C1 1779918753 MFJOERBPCZNMRB-HNNXBMFYSA-N 316.317 -0.741 30 20 DBED CC[C@@H](NC(N)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CC#N)C2 1796757114 GQWNAPDBIVBBQH-WRWGMCAJSA-N 321.381 -0.015 30 20 DBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccon3)C2)C1 1839807054 RSZQFWOPDQOMRM-OAHLLOKOSA-N 319.317 -0.622 30 20 DBED CC#CCNC(=O)N1CCN([C@@H](C)C(=O)NCCCOC)CC1 136015839 XFHWDHZOGDGOAF-AWEZNQCLSA-N 324.425 -0.122 30 20 DBED CC(C)[C@H](C#N)OC(=O)CCc1nc2c([nH]1)c(=O)[nH]c(=O)n2C 176032773 KAQYNYBJARXYNJ-QMMMGPOBSA-N 319.321 -0.026 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(C)CC[C@H](N)C(C)C)C1=O 262597284 LPRDTPVCMDGWFB-NSHDSACASA-N 324.381 -0.205 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N1CCC(O)(C(=O)OC)CC1 271547903 ZORKOQSTJCCCKA-SNVBAGLBSA-N 313.354 -0.613 30 20 DBED CCOC(=O)CO/N=C(/C(=O)N1CCC[C@H]1CO)c1cc[nH]n1 278422583 CLCHNQCDJFVSIB-DLPJZNJTSA-N 324.337 -0.323 30 20 DBED C[C@H](NC(=O)NCCn1cnc(C#N)n1)[C@H](C)N1CCOCC1 287548503 VJTLRVJXBJUYMD-RYUDHWBXSA-N 321.385 -0.442 30 20 DBED CC1(C)C[C@@]1(C#N)NC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 291423450 KVIUSLGFRXGCDQ-DQGSLKCQSA-N 317.345 -0.043 30 20 DBED C#CCN1CCN(C(=O)C(F)(F)C(=O)N2CCOCC2)CC1 296141264 JTGGTACYEBUULB-UHFFFAOYSA-N 315.320 -0.742 30 20 DBED C[C@H](C#N)CN(C)C(=O)C(=O)N1CC(=O)N[C@@H]2CCCC[C@H]21 298829869 VLYWNIYPTPBGCP-IJLUTSLNSA-N 306.366 -0.126 30 20 DBED Cc1nc([C@@H]2CN(/C(O)=N/[C@H]3CC(=O)N(C)C3)CCO2)n[nH]1 330137349 NQXONBQXEPSZMR-UWVGGRQHSA-N 308.342 -0.369 30 20 DBED C[C@@H]1CCN(/C(O)=N/[C@@H]2CC(=O)N(C)C2)CCS1(=O)=O 330265977 ZZBALUYPXAHESF-NXEZZACHSA-N 303.384 -0.360 30 20 DBED C=CCN(C(=O)[C@H](C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 330470609 WGFUNIKQJCJERP-STQMWFEESA-N 316.423 -0.091 30 20 DBED C[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1cncc(C#N)c1 336834910 IQTJQSITVYCKGO-SECBINFHSA-N 315.376 -0.239 30 20 DBED Cc1nc(S(=O)(=O)NCCC(=O)N(CC#N)CC#N)cn1C 338926909 UFWNMAFWFXSFIV-UHFFFAOYSA-N 324.366 -0.727 30 20 DBED COCC(C)(C)CNC(=O)C(=O)Nc1ccn(CCC#N)n1 341034572 MNORVEYDYAWNJY-UHFFFAOYSA-N 307.354 0.524 30 20 DBED N#CCNC(=O)CNC(=O)NCCN1CCc2ccccc2C1 343703970 BFINDCXQTXFJIB-UHFFFAOYSA-N 315.377 -0.016 30 20 DBED COC(=O)CN(CC#N)C(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O 348806079 WDBPRANZYMOEER-AWEZNQCLSA-N 322.321 -0.768 30 20 DBED C=CCCOCCNC(=O)NC[C@H]1CS(=O)(=O)CCO1 351833354 UZJUZXPNNVSRAW-NSHDSACASA-N 306.384 -0.308 30 20 DBED CNS(=O)(=O)[C@H]1CCN(S(=O)(=O)N(C)[C@H](C)CC#N)C1 369222916 CFMGYZIWRLSVII-ZJUUUORDSA-N 324.428 -0.911 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC[C@@H](n2cc(C(=O)OC)nn2)C1 371996795 BEKXKBNIYZTGLS-NWDGAFQWSA-N 319.365 -0.161 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCN(C)C(=O)C1(C)C 407950627 AOCLVJDQZILFJA-JTQLQIEISA-N 302.400 -0.125 30 20 DBED COC(=O)[C@@H]1CN(C)CCN(S(=O)(=O)CCCC#N)C1 416590088 SHIZKQYLUGUBJZ-LLVKDONJSA-N 303.384 -0.343 30 20 DBED C=CCCOCCNC(=O)N1CCS(=O)(=O)[C@@H](C(=O)O)C1 424443584 BKTBSJLEXDVITP-SNVBAGLBSA-N 320.367 -0.528 30 20 DBED C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(CC)C(=O)[C@H]1C 425899055 NMKQIHPXKVAGEQ-AGIUHOORSA-N 323.393 -0.227 30 20 DBED C=CCn1cccc1C(=O)N1CCO[C@@H](CN(C)CC(N)=O)C1 488927517 XTQBFVZZCGOCKP-ZDUSSCGKSA-N 320.393 -0.068 30 20 DBED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)C(=O)NC)cc1 490799118 BHCAWDFKRSYHMP-SNVBAGLBSA-N 323.374 -0.538 30 20 DBED C#CCNS(=O)(=O)c1cccc(C(=O)NCCOC(C)=O)c1 490916137 RNLXCJFDXZATLU-UHFFFAOYSA-N 324.358 -0.109 30 20 DBED Cc1c(C(=O)NC[C@H](C)C#N)cnc2c1c(=O)n(C)c(=O)n2C 533038179 UZIYSUXYFQZDQD-MRVPVSSYSA-N 315.333 -0.170 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 548902154 PVELPDSUBMZLFQ-CQSZACIVSA-N 308.426 -0.225 30 20 DBED N#Cc1ncn(CCNS(=O)(=O)c2cccnc2[N+](=O)[O-])n1 556827790 DNHVBIRBBRSPHQ-UHFFFAOYSA-N 323.294 -0.569 30 20 DBED COC(=O)CN(CC(=O)OC)Cc1cnc2c(C#N)cnn2c1 563154012 DYWODMMCTLAZHB-UHFFFAOYSA-N 317.305 -0.251 30 20 DBED COc1cc(C#N)ccc1NC(=O)C(=O)N[C@H](C)CC(N)=O 568823555 YVKAIQQMALPCCB-MRVPVSSYSA-N 304.306 -0.115 30 20 DBED C[C@@H](O)C[C@@H]1COCCN1C(=O)C(=O)Nc1cccc(C#N)n1 582180284 HPDHRVNDSFZMEL-ZYHUDNBSSA-N 318.333 -0.110 30 20 DBED N#CCN1CCC(NC(=O)C(=O)N2CCCC[C@@H]2CCO)CC1 588127542 KXESYWNDKWDDPI-CQSZACIVSA-N 322.409 -0.146 30 20 DBED CNC(=O)CCS(=O)(=O)CC(=O)NCc1ccc(C#N)cc1 593212060 ZAAARQQILPDUIC-UHFFFAOYSA-N 323.374 -0.275 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)NCc1nc(C(N)=O)co1 594803545 QKZMABVOWPKXBK-ZETCQYMHSA-N 301.328 -0.658 30 20 DBED CS(=O)(=O)N1CCC[C@H](C(=O)N=c2cc[nH]cc2C#N)C1 599528043 AFBZHWWXZBFGPG-JTQLQIEISA-N 308.363 -0.015 30 20 DBED CN1CCO[C@H](CS(=O)(=O)N2CCSC[C@@H]2C#N)C1 601387562 YRBFYNRUXGAGAV-QWRGUYRKSA-N 305.425 -0.412 30 20 DBED CN(C)CCN1C[C@H](C(=O)N2CCN(CCC#N)CC2)CC1=O 602209373 XTLOBIWEASGTHN-CQSZACIVSA-N 321.425 -0.546 30 20 DBED C=CCNC(=O)CN1CCN(CC(=O)NCC=C)[C@@H](C)[C@@H]1C 662224332 WWIUTSSJASTSCW-KBPBESRZSA-N 308.426 -0.015 30 20 DBED CS(=O)(=O)N1CCC[C@@H](NC(=O)[C@H](N)CCCC#N)C1 691561330 QQOAVVVOIYIUHX-GHMZBOCLSA-N 302.400 -0.452 30 20 DBED C#CCCCS(=O)(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 710070142 OFSYMMONAITJAL-LBPRGKRZSA-N 322.452 -0.009 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CCN(CC(=O)NC)CC1 730097399 VHKBLCARJYEXNE-AWEZNQCLSA-N 306.410 -0.589 30 20 DBED N#CCn1c(CN2C[C@H](O)[C@H](O)C2)nc2ccccc2c1=O 750836515 FZUHXGHRSLOIQR-BETUJISGSA-N 300.318 -0.543 30 20 DBED Cn1c(O)ncc(C(=O)NCCNc2ncccc2C#N)c1=O 751464786 VEQKJLDKJUTCKG-UHFFFAOYSA-N 314.305 -0.406 30 20 DBED COC(=O)c1cn(C2CN(Cn3cccc(C#N)c3=O)C2)nn1 758967799 CUMCXCSNXKRCQW-UHFFFAOYSA-N 314.305 -0.388 30 20 DBED C#CCNS(=O)(=O)N1CCN(CCC2CCOCC2)CC1 814628815 DULYFAZVMFCUJF-UHFFFAOYSA-N 315.439 -0.112 30 20 DBED C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)C[C@H](C)C(=O)O 825608817 LRJGFOWYNVXJHI-VHSXEESVSA-N 323.392 -0.841 30 20 DBED N#Cc1c[nH]c(C(=O)N(CCN2CCOCC2)CC(=O)O)c1 833068442 XRSXACLGHXMLKM-UHFFFAOYSA-N 306.322 -0.255 30 20 DBED CCS(=O)(=O)N1CCC[C@H](C(=O)N[C@@H]2CNC[C@@H]2C#N)C1 834495742 YTTQXWVFIKGQCW-SDDRHHMPSA-N 314.411 -0.724 30 20 DBED C#CC[C@@H](CO)NC(=O)CCc1ccc(S(N)(=O)=O)cc1 854548046 PAEKTLUSGLWMIQ-LBPRGKRZSA-N 310.375 -0.233 30 20 DBED C#Cc1cc(F)c(NC(=O)C(=O)NC[C@@H]2COCCN2)c(F)c1 861522210 PYLVSHLZIMPIQB-SNVBAGLBSA-N 323.299 -0.011 30 20 DBED C#C[C@H](NC(=O)NCCCN1CCC[C@H]1C(N)=O)[C@H]1CCCO1 875507272 WVDJHYAYEBBXJN-MELADBBJSA-N 322.409 -0.194 30 20 DBED Cc1cccc(=O)n1C[C@@](C)(O)C(=O)NCC#CCN(C)C 913521774 MSNZPNDKXXGOTC-MRXNPFEDSA-N 305.378 -0.411 30 20 DBED C[C@@H](OC(=O)[C@@H](C)N1C(=O)CCC1=O)C(=O)N(C)CCC#N 919261536 WRQQOUNRVNPQQL-NXEZZACHSA-N 309.322 -0.172 30 20 DBED CN1CCN(C(=O)CN(C)S(=O)(=O)CCCCC#N)CC1 919298173 RJSYOGMYWXOZIX-UHFFFAOYSA-N 316.427 -0.284 30 20 DBED CN1C[C@@H](C(=O)N[C@H]2CCN(C(=O)C#CC3CC3)C2)NC1=O 938409721 VZHCYGWCIIGIGT-RYUDHWBXSA-N 304.350 -0.860 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1C 940379450 HGMPCHUITOWULP-KKOKHZNYSA-N 319.365 -0.028 30 20 DBED CC#CCN1CC[C@H](NC(=O)CN2CC(=O)NC2=O)[C@H](C)C1 943676412 TZZUHMUGEQFTED-NEPJUHHUSA-N 306.366 -0.612 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)c2csnn2)C1 944681123 JZNCZDIYMWUDIJ-BDAKNGLRSA-N 309.351 -0.345 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@H](CNC(=O)c2cn(C)c(O)n2)C1 944758319 ABWBJVCHZSYUTE-NXEZZACHSA-N 321.337 -0.757 30 20 DBED C=C1CCC(C(=O)NC[C@H]2CN(C(=O)C(N)=O)CCO2)CC1 944761727 KARQADHUAIWXNZ-LBPRGKRZSA-N 309.366 -0.438 30 20 DBED C#CCN1CC[C@@H](NC(=O)Cn2ccc(O)nc2=O)C[C@@H]1C 947509280 CLTSZGQJJLZLNR-NWDGAFQWSA-N 304.350 -0.449 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C[C@@H]1C 948071393 XOXYIFGJFYUQDP-NWDGAFQWSA-N 318.381 -0.631 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)c1nnn(C)n1)CCO2 949162156 NVNXNUWXEPAAAL-UHFFFAOYSA-N 304.354 -0.850 30 20 DBED CCN(C(=O)[C@@H]1CC(=O)N(CCOC)C1)C1CN(CC#N)C1 950458493 ZJFQRPPGBOBLGW-GFCCVEGCSA-N 308.382 -0.462 30 20 DBED C=CC(C)(C)C(=O)N1CCC[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 951542617 BHIZVVGZTNFGER-WDEREUQCSA-N 308.382 -0.013 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@](C)(NC(=O)c2cc(C(N)=O)c[nH]2)C1 957437623 BTYWPCNBKYFXTN-RFAUZJTJSA-N 317.349 -0.006 30 20 DBED Cn1nnnc1CN1C[C@H]2C(NC(=O)c3cc(C#N)c[nH]3)[C@@H]2C1 958499228 BCGMCLZXKCOZOI-NXEZZACHSA-N 312.337 -0.730 30 20 DBED C=CCN1C[C@H]2[C@H](NC(=O)c3coc(S(N)(=O)=O)c3)[C@H]2C1 960621395 KBTZNPNKUAFQBF-IAZYJMLFSA-N 311.363 -0.227 30 20 DBED Cc1c[nH]c(CC(N)=O)c1C(=O)N[C@H]1[C@@H]2CN(CC#N)C[C@@H]21 961841440 SUPSFFIBRPCBNR-MSRIBSCDSA-N 301.350 -0.466 30 20 DBED Cc1c[nH]nc1C(=O)N[C@@H]1COC2(C1)CN(C(=O)[C@@H](C)C#N)C2 965689651 MNIWVFBFTZDTBM-ONGXEEELSA-N 317.349 -0.023 30 20 DBED C[C@@H]1CCN(CC#N)C[C@@H]1NC(=O)CN1C(=O)CN(C)C1=O 968628201 UQMDDJPXHGMFAM-MNOVXSKESA-N 307.354 -0.769 30 20 DBED C=CCN1CC[C@@H](N[C@@H]2CCN(C(=O)Cc3ncc[nH]3)C2)C1=O 970341972 VMDHVWQQBGIGFD-CHWSQXEVSA-N 317.393 -0.070 30 20 DBED N#CCN1C[C@H]2CC[C@H]1CN2C(=O)CN1CCCS1(=O)=O 971447724 WKSDTFRITLUQGV-NWDGAFQWSA-N 312.395 -0.779 30 20 DBED CN(CC#N)[C@@H]1CCN(C(=O)[C@@H]2CCc3nnc(O)n3C2)C1 971816994 CVBJUZZYZSUYPQ-GHMZBOCLSA-N 304.354 -0.398 30 20 DBED C#CCN1C[C@H]2[C@H](CNC(=O)c3ccc4nnc(O)n4c3)[C@H]2C1 978857059 PNGMZARTLBONJC-XYYAHUGASA-N 311.345 -0.024 30 20 DBED N#CCN1C[C@H]2[C@H](CNC(=O)[C@H]3CCCCN3C(N)=O)[C@H]2C1 978950538 OAIKENMSQXHFBD-FVCCEPFGSA-N 305.382 -0.263 30 20 DBED N#CCN1C[C@@H]2CC[C@@H](NC(=O)CN3C(=O)CNC3=O)C[C@H]2C1 980249169 XDSXPGUXJRHEDK-SDDRHHMPSA-N 319.365 -0.722 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)CC(N)=O)C2)nc1 982564699 RMZAMZVBWLMVGN-GFCCVEGCSA-N 314.345 -0.483 30 20 DBED C[C@H]1[C@H](NCC#N)CCN1C(=O)C1CC2(C1)CS(=O)(=O)C2 986422172 FRDSTGOWOFTHDC-CMPLNLGQSA-N 311.407 -0.086 30 20 DBED N#CCN[C@@H]1CCC[C@H]2CN(C(=O)C3CC(=O)NC(=O)C3)C[C@H]21 992832175 KVHMBZJNZABMJI-CYZMBNFOSA-N 318.377 -0.221 30 20 DBED C#CCN1CCC(NC(=O)c2cn(CC(=O)N(C)C)nn2)CC1 1004207271 CAJTUTURLJBRQH-UHFFFAOYSA-N 318.381 -0.806 30 20 DBED C[C@@H](NC(=O)c1cn(C)nn1)C1CN(C(=O)C#CC2CC2)C1 1006017782 OAKGQXIYLBVERZ-SNVBAGLBSA-N 301.350 -0.195 30 20 DBED O=C(C#CC1CC1)N1C[C@H]2CC[C@H]1CN2C(=O)Cn1cnnn1 1007089071 UTFBRRMWDOJLCO-QWHCGFSZSA-N 314.349 -0.712 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](CNC(=O)c3cn(C)c(O)n3)[C@H]2C1 1009468473 QHKVGTOTMCZKOT-XWLWVQCSSA-N 317.349 -0.280 30 20 DBED C#CCN1CCC(C(=O)N[C@H]2CCCN(CC(=O)NC)C2)CC1 1009628899 QNCYAVGWKAEKHU-HNNXBMFYSA-N 320.437 -0.342 30 20 DBED C[C@@H](NC(=O)c1cnon1)[C@@H]1CN(C(=O)C#CC2CC2)CCO1 1009698148 UUMOFGAUWQHEQW-MFKMUULPSA-N 318.333 -0.171 30 20 DBED N#Cc1cc(C(=O)N[C@H]2CCN([C@@H]3CCC(=O)NC3=O)C2)c[nH]1 1010687567 GMQUKZVADJYKPX-CMPLNLGQSA-N 315.333 -0.504 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C(=O)C[C@@H]2CCC(=O)NC2)CC1 1011234396 RAZPGXHETVWBEK-NEPJUHHUSA-N 306.366 -0.267 30 20 DBED C[C@@H]1C[C@H](NC(=O)Cn2ncnn2)CN1C(=O)C#CC1CC1 1012591999 YFWGWLYOSNYCCE-PWSUYJOCSA-N 302.338 -0.808 30 20 DBED C=CCn1cc(C(=O)NC2[C@@H]3CN(C(=O)[C@H](C)OC)C[C@@H]23)nn1 1013113366 JZGWJCNTYLNBIN-HBNTYKKESA-N 319.365 -0.314 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2C(NC(=O)C(N)=O)[C@H]2C1 1013688959 MEXUVXKSRYZWKM-RCWTZXSCSA-N 307.350 -0.974 30 20 DBED C[C@@H]1CC[C@@H](NC(=O)c2nnn(C)n2)CN1C(=O)C#CC1CC1 1018336843 ZATGNXLZWXFINK-ZYHUDNBSSA-N 316.365 -0.267 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](NCCN2CCCS2(=O)=O)C1 1018631388 DTRQZELKUHORDZ-RYUDHWBXSA-N 314.411 -0.628 30 20 DBED O=C(C#CC1CC1)N1CC2(CCN(C(=O)Cn3nccn3)C2)C1 1019010529 VINYDWMVJKTHLN-UHFFFAOYSA-N 313.361 -0.248 30 20 DBED C[C@H]1[C@@H](NC(=O)c2cnn(C)c2N)CCN1C(=O)[C@H](C)C#N 1020535640 NOJRPHKJOSJZSH-YWVKMMECSA-N 304.354 -0.119 30 20 DBED CCOC1CC(C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2O)C1 1023581728 FQGXHVJOVMXPIJ-NEXFUWMNSA-N 320.389 -0.097 30 20 DBED N#CCN1CC[C@@H](CNC(=O)c2ccc(-n3cnnn3)cn2)C1 1028715078 ZNFVZFILXBGDIH-NSHDSACASA-N 312.337 -0.367 30 20 DBED C=CCN1CC[C@H](CNC(=O)[C@@H]2CCN(C)S2(=O)=O)C1 1028862828 XTMDUULGWVDKRA-NEPJUHHUSA-N 301.412 -0.356 30 20 DBED CC#CCN1[C@H]2CC[C@H]1CN(C(=O)[C@@H]1CCS(=O)(=O)N1)C2 1029588474 XQVYWCIPYZTAKA-AVGNSLFASA-N 311.407 -0.623 30 20 DBED C#CCCN1CCO[C@@H](CNC(=O)c2cc(OC)n(C)n2)C1 1035437391 FCWAPQFZABKUKY-LBPRGKRZSA-N 306.366 -0.117 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2CN(CC(=O)NC)CCO2)cc1 1035472007 WWBZCNWXBSAFDV-HNNXBMFYSA-N 315.373 -0.156 30 20 DBED Cn1nnc2c1C[C@@H](C(=O)NC[C@@H]1CN(CC#N)CCO1)CC2 1035492493 XVVXGUYJRVFPLS-NWDGAFQWSA-N 318.381 -0.739 30 20 DBED C=C(Cl)CN1C[C@H]2C[C@H]1[C@@H]2NC(=O)Cn1ccc(O)nc1=O 1037493065 KOPVZIQDNIQMMH-GBIKHYSHSA-N 324.768 -0.110 30 20 DBED C=CCN[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C[C@H]1CC 1037988948 ZEIQAHLIQYLJFU-VXGBXAGGSA-N 308.382 -0.059 30 20 DBED COCCn1cc(C(=O)NC[C@@H]2CCN2CC#N)ccc1=O 1038458541 JJEIALPJGVSEJY-ZDUSSCGKSA-N 304.350 -0.178 30 20 DBED C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC(=O)NC(=O)N1 1039444697 ODEVCROQEZFIAD-AGIUHOORSA-N 318.377 -0.327 30 20 DBED C#CCCCC(=O)NC[C@]1(O)CCN(C(=O)Cn2cncn2)C1 1039575563 AUUSESVQWRQZTL-OAHLLOKOSA-N 319.365 -0.839 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)C2=COCCO2)C1 1041327876 IGOOTBPJQCRVOM-UHFFFAOYSA-N 310.350 -0.224 30 20 DBED N#Cc1nc(=N[C@H]2C[C@H]3CC[C@H]2N(C(=O)c2cnn[nH]2)C3)cc[nH]1 1041684290 FVDGXMZBBBFCET-JFGNBEQYSA-N 324.348 -0.007 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)C[C@H](C)OC)C1 1041943098 JYDWUSHIHUBARK-NWDGAFQWSA-N 312.366 -0.861 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCO[C@H]2C)C1 1042047036 GLURAXXNRZNNCF-NWDGAFQWSA-N 312.366 -0.697 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)CN2CC[C@@H](C)C2)C1 1042940896 GPYDTMCTKLABPF-CQSZACIVSA-N 321.421 -0.323 30 20 DBED CCCN(C)CCC(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042960195 HPUFSINNMYMKMJ-UHFFFAOYSA-N 321.421 -0.179 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)CC2CCN(C)CC2)C1 1043025453 QBPDNQZYIQMNHL-LBPRGKRZSA-N 322.409 -0.433 30 20 DBED N#Cc1cnccc1N1C[C@H](O)[C@H](NC(=O)Cc2cncnc2)C1 1043922197 QUCSHNBCQDLEQY-HIFRSBDPSA-N 324.344 -0.348 30 20 DBED C=C(C)C[C@@H](C)C(=O)NCC1(O)CN(C(=O)[C@H]2CCNC2=O)C1 1045063543 BKZPFEBUOFCUSW-NEPJUHHUSA-N 323.393 -0.586 30 20 DBED CC#CCN1CC[C@@H](N2CCN(C(=O)[C@H]3COCCO3)CC2)C1 1046009073 LWQQOOBXJWTKFD-HZPDHXFCSA-N 321.421 -0.356 30 20 DBED CCc1ncoc1C(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1046327532 BMZGJQQBERKHGU-UHFFFAOYSA-N 317.345 -0.047 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCN(C(C)=O)C2)C1 1047450043 OBOGNPAMVBADHD-PMPSAXMXSA-N 321.421 -0.228 30 20 DBED C#CCOCCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC(N)=O)C2 1047531972 UZWNCIOMGJKECE-XQQFMLRXSA-N 321.377 -0.603 30 20 DBED C#CCO[C@H](C)C(=O)N(C)[C@H]1CN(C(=O)c2ccc[nH]2)C[C@@H]1O 1048844562 MWYHTDPUJRKAIE-XBFCOCLRSA-N 319.361 -0.303 30 20 DBED N#Cc1ccc(N2CC[C@@H](NC(=O)c3cnon3)[C@@H](O)C2)nc1 1051720398 XYFWVIVSLBMUSQ-PWSUYJOCSA-N 314.305 -0.294 30 20 DBED Cc1cnn(CC(=O)N2CC[C@H](N3CCN(CC#N)CC3)C2)c1 1051993042 PJPZRHQKIJKBFG-HNNXBMFYSA-N 316.409 -0.066 30 20 DBED CO[C@H]1COCC[C@H]1CC(=O)N1CCOC2(CN(CC#N)C2)C1 1053284951 IBLOMMHRUUTQAA-KBPBESRZSA-N 323.393 -0.135 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)c1cn(C)ccc1=O)CCO2 1053335778 LSOVESBFEMVTDI-UHFFFAOYSA-N 315.373 -0.065 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)[C@H]1CCN(C)C1=O)CCO2 1053383545 YVLXCIHQAVKANR-ZDUSSCGKSA-N 305.378 -0.599 30 20 DBED N#CCN1CC2(C1)CN(C(=O)c1cc(C(N)=O)c[nH]1)CCO2 1053486460 VWBPNHPNUWMWCA-UHFFFAOYSA-N 303.322 -0.836 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)[C@@H]3CCCCN3C(N)=O)CO2)C1 1053980554 QXWTYHJWSSLZAL-OLZOCXBDSA-N 320.393 -0.488 30 20 DBED N#CCN1CC[C@]2(CCCN(C(=O)CN3C(=O)CNC3=O)C2)C1 1054237066 SPYKNFVMDDPOII-OAHLLOKOSA-N 319.365 -0.624 30 20 DBED C[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1NCc1nnn(C)n1 1054545910 DSASUTWWMRULJO-JOYOIKCWSA-N 314.353 -0.340 30 20 DBED C=CCOCC(=O)N1CCC[C@@](CO)(NC(=O)c2ccon2)C1 1055800938 BYYOAPXPPYMLSX-OAHLLOKOSA-N 323.349 -0.040 30 20 DBED CN1C(=O)CC[C@@H]1C(=O)N1CCN(c2cncc(C#N)n2)CC1 1055987784 GPZACCXCNWGCFD-GFCCVEGCSA-N 314.349 -0.382 30 20 DBED Cn1cnc(C(=O)NC2[C@H]3CN(c4ccc(C#N)cn4)C[C@H]23)n1 1056201941 MRCULWGOJMHXJY-QWRGUYRKSA-N 309.333 -0.054 30 20 DBED C=CCOCC(=O)N1CCC[C@H]2[C@@H]1CCN2C(=O)CNC(N)=O 1056313473 BEWBNCYJNKFGDQ-RYUDHWBXSA-N 324.381 -0.551 30 20 DBED CN(c1ncccc1C#N)[C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 1057018118 YKIXYBKPGWGIHZ-RYUDHWBXSA-N 314.349 -0.328 30 20 DBED C#Cc1ccc(C(=O)N(CCO)CCNC(=O)CCOC)nc1 1058238507 GUOZUDIUPUKIQY-UHFFFAOYSA-N 319.361 -0.350 30 20 DBED N#Cc1cncc(N2CC[C@H](NC(=O)[C@H]3CCCC(=O)N3)C2)n1 1058473383 WHDNJCYEKRQOKK-CMPLNLGQSA-N 314.349 -0.288 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)C(=O)NCC1CC1 1058586826 AZAPGDCADSJUTC-UHFFFAOYSA-N 323.393 -0.891 30 20 DBED C[C@@H]1OCCO[C@@H]1C(=O)N[C@H]1CCN(c2cncc(C#N)n2)C1 1058590925 QQMCMBHIDOFDPK-MJVIPROJSA-N 317.349 -0.153 30 20 DBED N#Cc1ccc(N2C[C@@H]3CC[C@H](C2)N3C(=O)Cn2nccn2)nn1 1058779218 HDWRWXQPRMAAQO-BETUJISGSA-N 324.348 -0.180 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)CCCCC(N)=O 1058834029 HODORKMNBRZRPV-UHFFFAOYSA-N 313.398 -0.065 30 20 DBED Cc1cc(C#N)nc(N[C@H]2CCN(C(=O)C3(C(N)=O)CC3)C2)n1 1059039342 AXVNMHOLEUVETK-JTQLQIEISA-N 314.349 -0.065 30 20 DBED Cc1cc(=N[C@H]2CCN(C(=O)[C@H]3CNC(=O)N3)C2)c(C#N)c[nH]1 1059049343 LAIFDCQEEQBREQ-WCQYABFASA-N 314.349 -0.622 30 20 DBED C#CCCCC(=O)NCC[C@H]1CCN(C(=O)CNC(N)=O)C1 1059117274 PRUQKNKQAZGIQK-LBPRGKRZSA-N 308.382 -0.187 30 20 DBED CC(C)C#CC(=O)N1CC[C@@H](CCNC(=O)[C@H]2CNC(=O)N2)C1 1059611623 ZKEWNNLZZUYDPG-CHWSQXEVSA-N 320.393 -0.318 30 20 DBED N#Cc1nc(=NC[C@H]2CCCN(C(=O)c3nc[nH]n3)C2)cc[nH]1 1060045782 YUSGVIDPSVMNQU-SNVBAGLBSA-N 312.337 -0.147 30 20 DBED C=CCOCC(=O)NCC[C@H]1CCN(C(=O)c2nc[nH]n2)C1 1060112022 NAPGMWVKCUSKIS-NSHDSACASA-N 307.354 -0.024 30 20 DBED C=CCCC(=O)NC[C@@H]1COCCN1C(=O)[C@H]1C[C@H]1C(N)=O 1061410933 VONICHIUNZMWAV-UTUOFQBUSA-N 309.366 -0.582 30 20 DBED COC[C@@H](OC)C(=O)N1CCOC[C@H]1CNC(=O)C#CC1CC1 1061572280 RWQNRXQWKKASBG-ZIAGYGMSSA-N 324.377 -0.595 30 20 DBED C#CCCCC(=O)N1CCOC[C@@H]1CNC(=O)CCNC(N)=O 1061579471 YXGUCVXXGLWWLQ-LBPRGKRZSA-N 324.381 -0.808 30 20 DBED CS(=O)(=O)CC(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1C#N 1062448027 OFNGYYJUTORPJI-UWVGGRQHSA-N 321.362 -0.818 30 20 DBED C=CCOCC(=O)NC1(CNC(=O)[C@@H]2COC(=O)N2)CCC1 1062897636 DBZBDQHTIZJHLJ-JTQLQIEISA-N 311.338 -0.548 30 20 DBED C[C@@H]1CN(C(=O)Cc2nc[nH]n2)C[C@@H]1Nc1cnc(C#N)cn1 1067144620 MKYZLMOTDVMNTG-KOLCDFICSA-N 312.337 -0.032 30 20 DBED Cc1nn[nH]c1C(=O)NCC1[C@@H]2CN(c3ccnc(C#N)n3)C[C@@H]12 1068192598 MVXRYFHNAZZNQN-QWRGUYRKSA-N 324.348 -0.113 30 20 DBED C#CCOCCC(=O)N1CCOC2(C1)CN(C(=O)[C@@H](C)OC)C2 1068397954 XWTZDBKKGOYDPG-CYBMUJFWSA-N 324.377 -0.499 30 20 DBED C=C(C)C[C@@H](C)C(=O)N1CC2(CC[C@@H](CNC(=O)C(N)=O)O2)C1 1068618180 NICXLBNLTLMEHF-NEPJUHHUSA-N 323.393 -0.050 30 20 DBED C=C(C)C(C)(C)C(=O)N[C@H]1COC2(C1)CN(C(=O)CC(N)=O)C2 1068943420 IWWQSOPTTTYETI-LLVKDONJSA-N 323.393 -0.050 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2ccc(O)nn2)C1 1069892804 PZBTYSNSMHXYGI-NEPJUHHUSA-N 315.337 -0.385 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@@]2(C)CCOC2)C[C@@H]1n1ccnn1 1070303242 SDSZVXOCFUZKIZ-IPYPFGDCSA-N 303.366 -0.321 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1CCCN(C(=O)Cn2cnnn2)C1 1070412246 QXUVUYVALDUXHN-LLVKDONJSA-N 306.370 -0.008 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@@H]2CCN(C)C2)C[C@H]1c1cn(C)cn1 1070563400 BKJCZDMOQXPSOZ-IJEWVQPXSA-N 315.421 -0.111 30 20 DBED O=C(C#CC1CC1)N1CCC[C@H](N2CCN(CCO)CC2=O)C1 1071263881 IEJZUIJLYFMWDW-HNNXBMFYSA-N 319.405 -0.473 30 20 DBED CC(=O)N(C)CC(=O)N1C[C@@H](NC(=O)C#CC2CC2)[C@H](C)C1 1071659207 UTWHUXJYVWQLRY-BXUZGUMPSA-N 305.378 -0.159 30 20 DBED CC(=O)N(C)CC(=O)N1C[C@H](C)[C@@H](NC(=O)C#CC2CC2)C1 1071659208 UTWHUXJYVWQLRY-FZMZJTMJSA-N 305.378 -0.159 30 20 DBED C#CCN1C[C@H](NC(=O)Cn2ccc(O)nc2=O)CC[C@@H]1C 1071659341 IPAGPVMGWMWVCF-NWDGAFQWSA-N 304.350 -0.449 30 20 DBED CC(C)C#CC(=O)N1C[C@H](C)[C@H](NC(=O)CCn2cnnn2)C1 1072038089 AEKXIABPGBQVQG-QWHCGFSZSA-N 318.381 -0.314 30 20 DBED C#CCOCCC(=O)N1C[C@H](C)[C@@H](NC(=O)c2cnn(C)n2)C1 1072096811 FDNLMJBXVKRDNX-AAEUAGOBSA-N 319.365 -0.568 30 20 DBED C[C@H]1CN(C(=O)Cn2nccn2)C[C@H]1NC(=O)CSCC#N 1072183504 JVMUNCPOGMSJRL-WDEREUQCSA-N 322.394 -0.502 30 20 DBED C=CCCC(=O)N[C@@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@@H]1C 1072498935 QBHJLPUPSOBTIM-QWHCGFSZSA-N 322.409 -0.653 30 20 DBED C#CCN1CCC2(C1)CN(C(=O)Cn1nc(C)ccc1=O)C2 1073141800 XLLGSPIMRZGUPE-UHFFFAOYSA-N 300.362 -0.281 30 20 DBED CC(=O)N1CCO[C@@H](C(=O)N2CC3(CCN(CC#N)C3)C2)C1 1073158427 WPJGATJPGHQUSS-CYBMUJFWSA-N 306.366 -0.708 30 20 DBED CNC(=O)NCC(=O)NC1(C)CCN(C(=O)[C@H](C)C#N)CC1 1073231171 VAGZLERPRVBQPD-SNVBAGLBSA-N 309.370 -0.428 30 20 DBED C#CCCCC(=O)N[C@H]1CCN(C(=O)Cn2cnnn2)C[C@@H]1C 1073918560 KALVYKYGYYLYSJ-STQMWFEESA-N 318.381 -0.170 30 20 DBED C#CCCCCCC(=O)NCC1(O)CCN(C(=O)C(N)=O)CC1 1074703463 GOJLCTOGPLTYEM-UHFFFAOYSA-N 323.393 -0.475 30 20 DBED N#CCN1C[C@@H]2CCN(C(=O)CC[C@@H]3NC(=O)NC3=O)[C@@H]2C1 1076548867 LJAIJAISFUTHJR-GARJFASQSA-N 305.338 -0.969 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(Cc2ccn(C)n2)C[C@H]1O 1077694077 DQRSPWHPVVDRIB-TUVASFSCSA-N 320.393 -0.328 30 20 DBED C[C@@H](CCNC(=O)[C@H](C)C#N)NC(=O)c1cn(C)c(=O)nc1O 1078133600 PWFBDJLGNCPIJV-BDAKNGLRSA-N 321.337 -0.730 30 20 DBED C=CCN[C@H]1C[C@H]2CC[C@H]1N(C(=O)CN1CCN(C)C(=O)C1)C2 1078981544 VYCPAKJEHUXCPM-QLFBSQMISA-N 320.437 -0.085 30 20 DBED C=CCOCC(=O)N(CC)C1CN(C(=O)c2cn(C)nn2)C1 1079490281 ILNZTZIJNQBRMQ-UHFFFAOYSA-N 307.354 -0.309 30 20 DBED CCN(C(=O)CC(N)=O)C1CN(C(=O)c2ccc(C#N)[nH]2)C1 1079528672 RDNZSLUWUDOFAL-UHFFFAOYSA-N 303.322 -0.565 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CO)(NC(=O)c2ccn(C)n2)CC1 1080865313 QQHWBHJQAPKBOP-NSHDSACASA-N 319.365 -0.337 30 20 DBED N#CCSCC(=O)NC[C@@H]1CN(C(=O)c2cnco2)C[C@H]1O 1081288447 DBPZJQGXIDCZLJ-NXEZZACHSA-N 324.362 -0.520 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2ccnn2C)C1 1081321232 MOPMICHACFYFGP-GXTWGEPZSA-N 318.377 -0.371 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H]1CN(C(=O)/C(C)=C/C)C[C@@H]1O 1081418760 CHRFBASARYPJJN-NRBOULDASA-N 321.377 -0.972 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C[C@H]1O 1081462438 AAPPNNHTNCDXBM-ZHMBSYLPSA-N 320.389 -0.526 30 20 DBED Cc1nc[nH]c1C(=O)N1C[C@H](O)[C@H](CNC(=O)C#CC2CC2)C1 1081474159 NZYPLTRVFURXIE-OLZOCXBDSA-N 316.361 -0.319 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CCCCN1C(=O)[C@H]1CCC(=O)N1 1081957654 BTZYJSHXTPKSHB-SDDRHHMPSA-N 306.366 -0.078 30 20 DBED C#CCN[C@@H]1CN(C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1C 1082651324 WQDOTVQCNVOBGI-SYQHCUMBSA-N 307.394 -0.131 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2ncn(-c3ccccc3)n2)C1 1083553307 WEBPJQSJMIVPDL-OLZOCXBDSA-N 312.333 -0.434 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)c2ccnc3[nH]nnc23)C1 1083630248 KQUOAUHPWINNOW-MNOVXSKESA-N 300.322 -0.849 30 20 DBED CCN(c1ccnc(C#N)n1)[C@H](C)CNC(=O)CNC(N)=O 1089571851 PNDLMRGWECJAGQ-SECBINFHSA-N 305.342 -0.652 30 20 DBED C#CCN1CC[C@H](NC(=O)c2ccc(N(C)C)nc2)[C@@H](O)C1 1090385806 SJHARDRFGJJYPU-KBPBESRZSA-N 302.378 -0.054 30 20 DBED Cc1cc(=O)oc(C)c1C(=O)N[C@@H]1CCN(CC#N)C[C@@H]1O 1090416216 FXKMCYQCABZDBX-NEPJUHHUSA-N 305.334 -0.055 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2ccn3nnnc3c2)[C@H](O)C1 1090484547 BJJZTNJCXQSZLJ-CHWSQXEVSA-N 314.349 -0.687 30 20 DBED Cc1nc(N2C[C@@H](NC(=O)CNC(N)=O)[C@H](C)C2)ccc1C#N 1090649822 QGCWIXHYAAEFDC-BXKDBHETSA-N 316.365 -0.129 30 20 DBED Cc1c(C(=O)N[C@H]2CCN(CC#N)C[C@@H]2O)nnn1C(C)C 1090684830 CBJOMHYFYBQHOS-RYUDHWBXSA-N 306.370 -0.144 30 20 DBED C#CCN1CC[C@H](NC(=O)C2(N3CCOCC3)CCC2)[C@H](O)C1 1090687045 RJEQMJSKNGREBV-LSDHHAIUSA-N 321.421 -0.574 30 20 DBED CNC(=O)NCC(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1C 1090838287 JUPXLGGBDYUOBG-MWLCHTKSSA-N 317.353 -0.782 30 20 DBED CSCC(=O)N[C@H]1CCN(c2nccnc2C#N)C[C@@H]1O 1092147727 IGQCUEXARDDGOY-ONGXEEELSA-N 307.379 -0.233 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)C3=COCCO3)c3nccn32)C1 1092345601 OEWFFLSBXXQCDZ-LBPRGKRZSA-N 314.345 -0.024 30 20 DBED Cc1ccc(=O)n(CC(=O)NCCN=c2cc[nH]cc2C#N)n1 1093770792 IGNOEDXCEOLKLM-UHFFFAOYSA-N 312.333 -0.531 30 20 DBED C#CCCN1CC(N2C[C@H](NC(=O)[C@@]3(F)CCOC3)CC2=O)C1 1094777846 CVXPJRBXEHBQJZ-MLGOLLRUSA-N 323.368 -0.460 30 20 DBED C=CCCN1CC(N2C[C@@H](NC(=O)Cc3cnc[nH]3)CC2=O)C1 1094787847 IKZKNQVFLMHIMD-ZDUSSCGKSA-N 317.393 -0.070 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](Nc2nccnc2C#N)C1 1095035306 WNRXZBACYMHCLE-LLVKDONJSA-N 312.333 -0.499 30 20 DBED Cc1cc(N2CC[C@H](NC(=O)CNC(N)=O)C2)c(C#N)cn1 1096322767 PRECHTRILFMQJE-NSHDSACASA-N 302.338 -0.375 30 20 DBED C[C@H](NC(N)=O)C(=O)N[C@H]1C[C@H](Nc2cncc(C#N)n2)C1 1097013809 JIHPHTOBJCUSOC-CIUDSAMLSA-N 303.326 -0.536 30 20 DBED C[C@H](CNC(=O)[C@]1(C)CNC(=O)C1)Nc1ccc(C#N)nn1 1098153827 YPZMDPANGYUFAG-OTYXRUKQSA-N 302.338 -0.209 30 20 DBED C#CCCN(CCO)C1CCN(C(=O)[C@@H]2CC(=O)N(C)C2)CC1 1098383938 HTXHNYWYPXTCBP-CQSZACIVSA-N 321.421 -0.227 30 20 DBED C[C@@H](CNC(=O)c1cn(C)c(=O)cn1)Nc1cncc(C#N)n1 1098429215 JYSWOKBCLPZCHB-VIFPVBQESA-N 313.321 -0.328 30 20 DBED N#Cc1nccnc1N[C@@H]1CCC[C@@H](NC(=O)CNC(N)=O)C1 1098589863 OUCBOQJBYFEWTJ-NXEZZACHSA-N 317.353 -0.144 30 20 DBED N#CCN1C[C@@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CCNC(N)=O)C1 1099553853 WBIWMLHLCJCNLL-RVMXOQNASA-N 305.382 -0.263 30 20 DBED CC(C)C1(C(=O)N[C@H]2CCN(CC(=O)NCC#N)C[C@H]2O)CC1 1099997377 VRWDMVPTCVRBEQ-QWHCGFSZSA-N 322.409 -0.386 30 20 DBED C=CCNC(=O)CNC1CC(CNC(=O)[C@H]2CCC(=O)N2C)C1 1100600616 AKSMIOPKDLQTTD-WXRRBKDZSA-N 322.409 -0.606 30 20 DBED CN(CCNc1ccc(C#N)nn1)C(=O)[C@H]1CCNC(=O)C1 1101548205 HOBVDYOPJRQXQP-JTQLQIEISA-N 302.338 -0.255 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)CC(=O)NC)c3nccn32)C1 1101624381 SUZRIIXXWMANGQ-GFCCVEGCSA-N 315.377 -0.386 30 20 DBED CN(CCNc1nccnc1C#N)C(=O)C[C@@H]1CCC(=O)N1 1101678513 WWDWHRPVKZCYRN-JTQLQIEISA-N 302.338 -0.113 30 20 DBED C[C@@H]1CN(C)C[C@H](C(=O)N(C)CCNc2ccc(C#N)nn2)O1 1102020154 MPEXUFFNZUNFPG-DGCLKSJQSA-N 318.381 -0.062 30 20 DBED C#CCNC(=O)CC(=O)N(C)[C@@H]1CCN(c2cnc(F)cn2)C1 1102694072 UXUBTVZIVZMHGW-LLVKDONJSA-N 319.340 -0.208 30 20 DBED CC[C@H](CNC(=O)[C@H](C)NC(N)=O)N=c1cc[nH]cc1C#N 1103045759 FNVICDZSNPWKQO-GXSJLCMTSA-N 304.354 -0.261 30 20 DBED CC[C@H](CNC(=O)Cn1cnnc1O)N=c1cc[nH]c(C#N)n1 1103066466 ZGAYDKDDEDLMJL-SECBINFHSA-N 316.325 -0.926 30 20 DBED CC[C@H](CNC(=O)[C@@H]1CNC(=O)N1)Nc1ccc(C#N)nn1 1103277890 QBBRNKHGRDCMBL-SCZZXKLOSA-N 303.326 -0.664 30 20 DBED COC(=O)NCC(=O)NC[C@@H](O)CNc1ccc(C#N)cn1 1105723478 PYNUQFJHRORFLS-JTQLQIEISA-N 307.310 -0.802 30 20 DBED Cc1nnsc1C(=O)NC[C@H](O)CNc1ccc(C#N)nn1 1105744168 KZEXLTDTHQJVEP-SECBINFHSA-N 319.350 -0.289 30 20 DBED N#Cc1cncc(NC[C@@H](O)CNC(=O)Cc2ccon2)n1 1105763229 FFTMEBXJGJLUDO-LLVKDONJSA-N 302.294 -0.532 30 20 DBED Cc1cc(CC(=O)NC[C@H](O)CNc2ccc(C#N)nn2)no1 1105765935 LBAZKJSSDFHROS-GFCCVEGCSA-N 316.321 -0.224 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)Cc2ncc[nH]2)nc1 1105937299 IRGWXMGXZHXCNQ-LLVKDONJSA-N 300.322 -0.192 30 20 DBED N#Cc1nccnc1NC[C@@H](O)CNC(=O)CCn1ccnc1 1106039633 SPJOTUDACQDGPZ-NSHDSACASA-N 315.337 -0.476 30 20 DBED COC[C@H](OC)C(=O)NC[C@H](O)CNc1nc(C)cc(C#N)n1 1106088003 XIIRWOSENJUXAK-RYUDHWBXSA-N 323.353 -0.793 30 20 DBED C[C@H](NC[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C)C(=O)NC(N)=O 1106106404 VVBHENCXANDTIL-NTZNESFSSA-N 320.393 -0.333 30 20 DBED C[C@H](CCNc1nccnc1C#N)NC(=O)[C@H]1COCCN1C 1106277466 HCAYXIYBVCQWQR-DGCLKSJQSA-N 318.381 -0.014 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)CCN=c1cc[nH]cc1C#N 1106285695 WEVLMNMAGDVZJP-GFCCVEGCSA-N 313.361 -0.179 30 20 DBED C[C@@H](CCNc1cncc(C#N)n1)NC(=O)[C@@H]1COC(=O)N1 1106314020 UPXABTWNBKJXGV-WPRPVWTQSA-N 304.310 -0.237 30 20 DBED C[C@H](CCN=c1cc[nH]cc1C#N)NC(=O)[C@H]1C[C@H]1C(N)=O 1106569596 LCICCJVGWUUUFB-JLLWLGSASA-N 301.350 -0.197 30 20 DBED CNC(=O)NCC(=O)N[C@H](C)CCNc1cncc(C#N)n1 1106615932 MRAWNPSHRAMARW-SECBINFHSA-N 305.342 -0.416 30 20 DBED C=CCN1CC(n2cc(CNC(=O)CNC(=O)OC)nn2)C1 1107136795 HQXDCNFBOKRVKK-UHFFFAOYSA-N 308.342 -0.707 30 20 DBED CCS(=O)(=O)CC(=O)NC/C=C\CN=c1cc[nH]c(C#N)n1 1107221765 DUZVLFFTDUGDGO-ARJAWSKDSA-N 323.378 -0.711 30 20 DBED CS(=O)(=O)CCC(=O)NC/C=C\CNc1ccc(C#N)nn1 1107575601 DMPDQEPALVRFMO-IHWYPQMZSA-N 323.378 -0.133 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCO[C@@](C)(CNC(=O)COC)C1 1107658920 CBQIDXNFXNJWHL-DOMZBBRYSA-N 313.398 -0.469 30 20 DBED C[C@@H](C(=O)NC[C@@]1(C)CN(CC(=O)NCC#N)CCO1)C1CC1 1107845545 IJEHVVIQJDBENO-WBMJQRKESA-N 322.409 -0.121 30 20 DBED C[C@H](CN=c1cc[nH]cc1C#N)NC(=O)C1CS(=O)(=O)C1 1107952251 YGOKPBKJNFTJOP-SECBINFHSA-N 308.363 -0.664 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@H](C)CN(C)c1ccc2nnnn2n1 1108922587 AZANPLAPRRHRJK-QMTHXVAHSA-N 319.369 -0.213 30 20 DBED CN1C[C@H](C(=O)N(C)CCCN=c2cc[nH]cc2C#N)NC1=O 1109578470 DODGMXLDFZOZAY-CYBMUJFWSA-N 316.365 -0.341 30 20 DBED N#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CC[C@@H]1NC(=O)NC1=O 1110078196 AMHBQJXEBSNMJV-RCWTZXSCSA-N 305.338 -0.780 30 20 DBED Cc1cc(C#N)nc(N2C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)C#N)C2)n1 1111176867 RPWIEJNWTKZFHX-XDTLVQLUSA-N 314.349 -0.176 30 20 DBED C#CCO[C@@H](C)C(=O)N(CCO)CCNc1nccnc1C#N 1111510710 HVJMQRCOXJYHPK-LBPRGKRZSA-N 317.349 -0.381 30 20 DBED N#Cc1cncc(NCCN(CCO)C(=O)[C@@]23COC[C@@H]2C3)n1 1111577760 VMLJDHAYZFNAFZ-NHYWBVRUSA-N 317.349 -0.382 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1112719394 ANMOQVHUJCLDIU-JSGCOSHPSA-N 313.361 -0.079 30 20 DBED CNC(=O)CC(=O)N1CCC[C@H]1CN(C)c1cnc(C#N)cn1 1112791108 XSWKLGDYFKOZLY-LBPRGKRZSA-N 316.365 -0.088 30 20 DBED C[C@H](Nc1ccc(C#N)nn1)[C@@H](C)NC(=O)CN1CCOCC1 1112970623 FYKYXCHJXPEXKW-NWDGAFQWSA-N 318.381 -0.014 30 20 DBED C[C@H](NC(N)=O)C(=O)NC[C@@H](C)N(C)c1cncc(C#N)n1 1113578211 URCRYSFXZRWDJO-BDAKNGLRSA-N 305.342 -0.654 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)C3=COCCC3)[C@H]2C1 1114001575 FGBMYEQSWHQSHT-SPWCGHHHSA-N 317.389 -0.135 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)CCC(=O)NCC)[C@H]2C1 1114045288 XERNBQUPCKQXAS-RYUDHWBXSA-N 322.409 -0.749 30 20 DBED CS[C@@H](C)CC(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1114156655 ZYZNNCZRZGWECT-KZWBYHQPSA-N 310.423 -0.186 30 20 DBED CNC(=O)CCCC(=O)NC1[C@@H]2CN(CC#CCOC)C[C@@H]12 1114171864 JUMUREHKSGHEBQ-CHWSQXEVSA-N 307.394 -0.401 30 20 DBED C=CCCN1C[C@H]2[C@H](NC(=O)[C@@H](C)NS(=O)(=O)CC)[C@H]2C1 1114311926 WVWIIOXVTYXTCO-NDBYEHHHSA-N 315.439 -0.063 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)CN3CCCNC3=O)[C@@H]2C1 1114515741 KPWLXVZWODFBRO-CHWSQXEVSA-N 320.393 -0.902 30 20 DBED C=CCCOCC(=O)N[C@H]1[C@@H]2CN(CCN3CCNC3=O)C[C@@H]21 1115330423 MJLKZRUDLKALEM-NHAGDIPZSA-N 322.409 -0.349 30 20 DBED C[C@H](CN(C)C(=O)[C@H]1CCC(=O)N1)Nc1ccc(C#N)nn1 1115656579 MWWPXEPOFZIAFV-MWLCHTKSSA-N 302.338 -0.114 30 20 DBED C=CCN(C(=O)C(=O)N[C@H](C)CS(C)(=O)=O)[C@H](C)COC 1118683669 ZLGSRCRMKCOLNL-GHMZBOCLSA-N 320.411 -0.415 30 20 DBED C[C@@H](CN(C)C(=O)Cn1ncnn1)Nc1cncc(C#N)n1 1120128090 GKOPFWNHALYALT-VIFPVBQESA-N 301.314 -0.706 30 20 DBED N#Cc1cncc(N[C@@H](CO)CNC(=O)C2CCOCC2)n1 1120986400 LVYYQPKAWMDDPS-GFCCVEGCSA-N 305.338 -0.336 30 20 DBED C=CCn1c([C@H](O)COC)nnc1N1CCN2C(=O)NC[C@@H]2C1 1121732575 OZAVSTRDLVSSFW-GHMZBOCLSA-N 322.369 -0.642 30 20 DBED C#CCNCC(=O)N1CCN(Cc2nc(COC)no2)CC1 1121958541 CEZFPWATIHWFOO-UHFFFAOYSA-N 307.354 -0.917 30 20 DBED C#CCOCCC(=O)NC[C@@H](CO)N=c1cc[nH]cc1C#N 1122029892 YNQIAPSYJMHKMK-ZDUSSCGKSA-N 302.334 -0.696 30 20 DBED CN1CC[C@@H](C(=O)N(C)C[C@H](O)CNc2cncc(C#N)n2)C1 1124353083 TYUDQDQAFSRDGE-DGCLKSJQSA-N 318.381 -0.469 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCNCC(=O)NCCCOC 1126364986 DIUZQHPVOZFJEC-CQSZACIVSA-N 301.387 -0.828 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CN2CCC1CC2 1127466666 ZCEFPGMJRWOWEQ-OCCSQVGLSA-N 308.426 -0.275 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NCCNCCN1C(=O)CCC1=O 1127613042 MGTVDDRUDCWARR-OLZOCXBDSA-N 323.393 -0.178 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@@H](C)NC(=O)c1ccoc1 1127999574 QSSGHTNGEMBZTC-LLVKDONJSA-N 322.365 -0.594 30 20 DBED CC(=O)NCC(=O)NCc1c[nH]nc1[C@@H]1CCN(CC#N)C1 1130337286 ADNNTWPFCLQTFY-LLVKDONJSA-N 304.354 -0.525 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)c2cc(OC)n(C)n2)C1=O 1131127715 ZPVVXLHDPYDOAK-LLVKDONJSA-N 321.381 -0.465 30 20 DBED C#CCNC(=O)CN1C[C@H](NC(=O)CSCC#N)CC[C@H]1C 1131826673 RTHWMIYJNHXHRL-CHWSQXEVSA-N 322.434 -0.038 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1cnn2cccnc12 1132216067 XZHXNFHLPRXRFE-LLVKDONJSA-N 314.349 -0.813 30 20 DBED C=C(C)CN(CC)C(=O)CNCCNC(=O)[C@H](C)CC(N)=O 1132351860 DCALMMOKBXJDPB-GFCCVEGCSA-N 312.414 -0.372 30 20 DBED CC#CCCCC(=O)NCCNC[C@@H](O)COCCOC 1132592815 DLQXWQWFDHACRD-CQSZACIVSA-N 300.399 -0.090 30 20 DBED C#CCNC[C@@H]1CN(C(=O)Cn2ccc(O)nc2=O)CC[C@@H]1C 1132959607 NNKPMRHFHWJEJH-QWHCGFSZSA-N 318.377 -0.344 30 20 DBED Cc1c(C(=O)N[C@@H](C)C[C@@H](C)NCC(=O)NCC#N)cnn1C 1133708242 RQNDQEZSNNUNFM-MNOVXSKESA-N 320.397 -0.145 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cc(C(F)(F)F)n[nH]1 1135297992 CHNIAROTPBNUKZ-UHFFFAOYSA-N 317.271 -0.503 30 20 DBED COCC#CCN1CCC2(C1)CN(C(=O)c1c[nH]c(=O)cn1)C2 1148153031 GUDRVGHECLAJFR-UHFFFAOYSA-N 316.361 -0.432 30 20 DBED CC#CCN1CCC2(C1)CN(C(=O)CS(=O)(=O)N(C)C)C2 1148690719 MMBOIRKOAZKRNS-UHFFFAOYSA-N 313.423 -0.565 30 20 DBED C#CCN1CCC2(C1)CN(C(=O)CCCN1C(=O)CNC1=O)C2 1148726481 LCOWOCIHEKEPNU-UHFFFAOYSA-N 318.377 -0.514 30 20 DBED C=CCNC(=O)CN1CCCO[C@@H](CNC(=O)COCC)C1 1149074703 SSIFERLHUQITDW-ZDUSSCGKSA-N 313.398 -0.468 30 20 DBED COCC#CCN1CCCO[C@@H](CNC(=O)Cc2cc[nH]n2)C1 1149465733 FMOHWWORMDBCHW-HNNXBMFYSA-N 320.393 -0.191 30 20 DBED CC#CCN1CCCO[C@@H](CNC(=O)[C@@H](C)S(C)(=O)=O)C1 1149903640 NRJRGZWKRSPVEV-OLZOCXBDSA-N 316.423 -0.350 30 20 DBED N#Cc1ccc(CNCCNC(=O)CN2C(=O)CNC2=O)s1 1150349793 GPCSKGVZDFZLNN-UHFFFAOYSA-N 321.362 -0.623 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)c1noc2c1COCC2 1151707212 CHRFWPAUSZKYAN-SNVBAGLBSA-N 322.365 -0.243 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)NCCNCCn1cccn1 1152404539 INACNTZCIJMOIC-UHFFFAOYSA-N 322.413 -0.147 30 20 DBED CCNC(=O)NC(=O)CN(CC)[C@H](C)CNC(=O)[C@@H](C)C#N 1152449885 KSXMRBLTOXRRJE-WDEREUQCSA-N 311.386 -0.182 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1csc(COC)n1 1153378777 KZQDPLCFLRPGJY-UHFFFAOYSA-N 310.379 -0.642 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)c1cnn(C)c1C 1154652342 ZVDVQCLMBFUSMY-LLVKDONJSA-N 305.382 -0.424 30 20 DBED C#CCN(CC)[C@H](C)CNC(=O)c1cn(C)c(=O)n(C)c1=O 1155606886 DKSPEPLNUPQYQL-LLVKDONJSA-N 306.366 -0.843 30 20 DBED C=CCN(CC)[C@H](C)CNC(=O)C1CC2(C1)NC(=O)NC2=O 1155764739 YZWYOSYWMPDHFX-RWWNRMGGSA-N 308.382 -0.013 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)c1n[nH]c(C)c1C 1155987523 RBZBTDWVYUCHMS-GFCCVEGCSA-N 305.382 -0.126 30 20 DBED C#CCO[C@H](C)C(=O)NCCCNCc1nc(CCOC)no1 1157869797 RXWWFQJFRCCUCW-GFCCVEGCSA-N 324.381 -0.107 30 20 DBED Cn1cc(Cl)c(C(=O)NCCCNCC(=O)NCC#N)n1 1158797380 AQBLYJDUEHICRB-UHFFFAOYSA-N 312.761 -0.577 30 20 DBED COCC#CCNCC1(CCNC(=O)Cn2nccn2)CC1 1165229162 VOKQZYVIRPRJDR-UHFFFAOYSA-N 305.382 -0.196 30 20 DBED C=CCn1cc(C(=O)NCCCNCCN2CCNC2=O)nn1 1167838587 HSHSVEYXDXAETQ-UHFFFAOYSA-N 321.385 -0.801 30 20 DBED C#CCNCC1(CCNC(=O)CN2C(=O)NC(C)(C)C2=O)CC1 1167981549 YFWRENXMPRKDTE-UHFFFAOYSA-N 320.393 -0.174 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)c1ccc(OC)nn1 1170162791 GKAVRXMLRMHKKR-NSHDSACASA-N 319.365 -0.667 30 20 DBED C#CCNC(=O)CNCCCC[C@H](C)NC(=O)c1cnon1 1175793668 HLCPDKHFDUUKJU-NSHDSACASA-N 307.354 -0.303 30 20 DBED C#CCCN1CCO[C@H]2CCN(C(=O)COCCOC)C[C@H]21 1176969428 LMKHDHIUUJACEU-CABCVRRESA-N 310.394 -0.026 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)CNC(C)=O)[C@H]1C 1178041529 CTAHFDKVYKEBRR-MDZLAQPJSA-N 310.398 -0.608 30 20 DBED C#CCCNC[C@]1(C)CN(C(=O)C[C@@H]2NC(=O)NC2=O)C[C@H]1C 1181763152 ALSFRROQURLUTN-BFQNTYOBSA-N 320.393 -0.318 30 20 DBED CCOCCCC(=O)N1CC[C@H]2CN(CC(=O)NCC#N)C[C@H]21 1187009205 AHVWUBLZQDFIEJ-UONOGXRCSA-N 322.409 -0.024 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)[C@H]2CCCN2C)CC1 1195275029 OFJJOFJUDBKVLI-CQSZACIVSA-N 308.426 -0.083 30 20 DBED C=C[C@@H](CC)CC(=O)N[C@@H]1CN(Cc2nnn(C)n2)C[C@H]1O 1195554891 RYQAPEYIKODTAT-QJPTWQEYSA-N 308.386 -0.526 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2CN(CCOCC)C[C@H]2O)c1 1196046743 XQFNJMFPMCPLEO-HUUCEWRRSA-N 303.362 -0.126 30 20 DBED C=CCOCC(=O)N1CCCO[C@H](CNCCOCCO)C1 1200109187 PWGARBRIFOEASX-CQSZACIVSA-N 316.398 -0.595 30 20 DBED Cn1nccc1CC(=O)N1CCC(NCC(=O)NCC#N)CC1 1200283991 PFTGDPWJISIAIH-UHFFFAOYSA-N 318.381 -0.817 30 20 DBED COC[C@H](O)CNC[C@@H]1CN(C(=O)C#CC2CC2)CCCO1 1200452567 JIVHMATYBYRYNH-HUUCEWRRSA-N 310.394 -0.386 30 20 DBED COCC#CCNC1CCN(C(=O)[C@H]2CCC(=O)NC2)CC1 1201399668 KKIZFSMOQJSURY-ZDUSSCGKSA-N 307.394 -0.257 30 20 DBED C=CCNC[C@H]1CN(C(=O)[C@@H]2CCCS2(=O)=O)CCCO1 1202107978 DMRBEHREJLXXQE-STQMWFEESA-N 316.423 -0.043 30 20 DBED C[C@H]1OCC[C@@H]1C(=O)N1CCC(NCC(=O)NCC#N)CC1 1203059449 SHXJBQMIFNQSHJ-YPMHNXCESA-N 308.382 -0.368 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)CCOCC#C)CC1 1205258911 KTGOTWXPFIQWCO-UHFFFAOYSA-N 319.405 -0.396 30 20 DBED C=C(C)CNCC1CCN(C(=O)CN2CC(=O)NC2=O)CC1 1206615828 RLKQRJVIFJKVLT-UHFFFAOYSA-N 308.382 -0.058 30 20 DBED C=CCNC(=O)NC(=O)CN1C[C@@H](NC(=O)[C@H](C)C#N)[C@H](C)C1 1206641521 VHQDOXWFJZWMJT-IJLUTSLNSA-N 321.381 -0.406 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)[C@H]1CCCCN1C 1207708794 JMHAUBCTELVHIH-MGPQQGTHSA-N 321.425 -0.453 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 1208328981 LTEXQANNMKABID-AWEZNQCLSA-N 320.437 -0.199 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)CCc2cn[nH]c2)C1 1210036946 IYJPOHHPLJRDMA-CQSZACIVSA-N 317.393 -0.328 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2cc(C)on2)[C@H](OC)C1 1211800430 VHBKGBRCZMVUGM-CHWSQXEVSA-N 320.349 -0.839 30 20 DBED CO[C@@H]1CN(CCN2CCCC2=O)C[C@H]1NC(=O)[C@@H](C)C#N 1212045210 JGVQINYKWPXDLZ-YNEHKIRRSA-N 308.382 -0.416 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(CCCC=C)C[C@H]1OC 1212152294 NLDWEHKVYIXQKS-ZIAGYGMSSA-N 307.394 -0.093 30 20 DBED CCN1CC[C@@H](N2C[C@@H](NC(=O)C#CC3CC3)[C@H](OC)C2)C1=O 1212251271 UUSQEWKMRKGQTO-RBSFLKMASA-N 319.405 -0.164 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@@H](C)CS(C)(=O)=O 1213934002 HMDIJHLLSLBKSP-HBNTYKKESA-N 303.384 -0.994 30 20 DBED C[C@@H]1CN(C(=O)CC[C@@H]2CCOC2)C[C@H]1NCC(=O)NCC#N 1214413753 KSMCSFPDHCNUOI-MGPQQGTHSA-N 322.409 -0.121 30 20 DBED C=CCCCN[C@@H]1CN(C(=O)CNS(=O)(=O)NC)C[C@H]1C 1215237124 SQYUCPJPZSQODP-VXGBXAGGSA-N 318.443 -0.557 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CCCn1ccnn1 1218100813 CPGWBAULGMFHPD-UONOGXRCSA-N 303.366 -0.397 30 20 DBED Cc1cc(C)c(C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@@H]2O)o1 1219430932 SLUUMVXYISOHGV-NEPJUHHUSA-N 320.349 -0.689 30 20 DBED C#CCCCCC(=O)N[C@@H]1CN([C@@H]2CCCNC2=O)C[C@@H]1O 1219482206 PNNQOBPECASFJF-MCIONIFRSA-N 307.394 -0.380 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)C(C)(C)NC(=O)NCC=C)C1 1221079420 YQMILSZCCJHWMX-NEPJUHHUSA-N 308.382 -0.955 30 20 DBED Cn1cnc(C(=O)N2C[C@H]3CCN(CC(=O)NCC#N)C[C@H]32)c1 1221478116 UCGSNGWLLHWXNF-DGCLKSJQSA-N 316.365 -0.794 30 20 DBED CO[C@@H](C(=O)N1C[C@H]2CCN(CC(=O)NCC#N)C[C@H]21)C1CC1 1221516579 VGOXPWWSPLWBRL-UMVBOHGHSA-N 320.393 -0.416 30 20 DBED N#CCN(CCCNC(=O)Cn1cnnn1)Cc1cccnc1 1230667774 HTYZIEBYCILFII-UHFFFAOYSA-N 314.353 -0.400 30 20 DBED Cc1cc(C(=O)N(C)C[C@@H]2CCN2CC(=O)NCC#N)ncn1 1233691432 AWOQJYRZFGUMPP-LBPRGKRZSA-N 316.365 -0.429 30 20 DBED C#CCCCC(=O)N(C)C[C@H]1CCN1Cc1nc(=O)n(C)[nH]1 1233966247 KYIYUTQPKVEGHV-GFCCVEGCSA-N 305.382 -0.055 30 20 DBED C#CCC[C@H](O)CNC(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 1256503675 DANNAALABHVNFB-RYUDHWBXSA-N 317.411 -0.659 30 20 DBED CN(C)C(=O)c1cccc(CNC(=O)NCC(=O)NCC#N)c1 1258219943 HBPZRJCSRBCOFL-UHFFFAOYSA-N 317.349 -0.173 30 20 DBED C[C@H](O)[C@H]1CCCN1C(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1261861927 KEWRVMAZCWVUQM-FPMFFAJLSA-N 320.393 -0.443 30 20 DBED COCC#CCN1CCC[C@@H](NC(=O)c2cn(C)c(O)n2)C1 1266236596 KRHVKMXZNJVELR-GFCCVEGCSA-N 306.366 -0.030 30 20 DBED Cc1cnccc1CCNC(=O)C(=O)N1CCO[C@H](C#N)C1 1323089370 VTCKLUOSWGNEEB-CYBMUJFWSA-N 302.334 -0.200 30 20 DBED C#CCOCCNC(=O)C(=O)NCc1cc(C(=O)OC)c(C)o1 1323244772 UGENIKQODSUWSF-UHFFFAOYSA-N 322.317 -0.243 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCC(CC(=O)N(C)C)CC1 1323699385 SHMZEOHJCQUSCY-UHFFFAOYSA-N 323.393 -0.531 30 20 DBED N#CCn1cc(NC(=O)C(=O)NCCOC[C@H]2CCCO2)cn1 1324219222 KFHMEVRJRWGZJD-GFCCVEGCSA-N 321.337 -0.343 30 20 DBED Cn1cc(N2CC[C@@H](NC(=O)[C@@H](N)CCCC#N)C2=O)cn1 1325791938 SEDDJFAGTIFXPI-NWDGAFQWSA-N 304.354 -0.337 30 20 DBED C=C(C)COCCNC(=O)C(=O)N1C[C@@H](C)[C@H](C(=O)OC)C1 1326113743 SRANMVXTAGVMFH-VXGBXAGGSA-N 312.366 -0.037 30 20 DBED C=CCOCCNC(=O)C(=O)N1C[C@H](C)O[C@H](COC)C1 1327052991 PMYBMUPPFPOPHX-RYUDHWBXSA-N 300.355 -0.433 30 20 DBED N#CCCCNC(=O)C(=O)NCCS(=O)(=O)c1ccccc1 1327605182 SHHWQJWIUSUASR-UHFFFAOYSA-N 323.374 -0.004 30 20 DBED COC(=O)[C@@]1(C)CN(C(=O)C(=O)N2CCO[C@@H](C#N)C2)C[C@@H]1C 1332019570 RUJMPBWMMSKUOB-PGUXBMHVSA-N 323.349 -0.605 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)NC1CN(C(=O)OC)C1 1332697662 UBVJZDCLCINKJV-SNVBAGLBSA-N 311.338 -0.902 30 20 DBED C=CCC1(O)CCN(C(=O)C(=O)NCCCC(=O)OC)CC1 1332773432 BRDBSUGLQGRLCB-UHFFFAOYSA-N 312.366 -0.015 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCN(C)C[C@@H]1CC(C)C 1332869788 WQMQAPMBGRDWOT-AWEZNQCLSA-N 309.410 -0.059 30 20 DBED C#CCNC(=O)C1CCN(c2nnnn2C[C@H](C)COC)CC1 1337108106 ZFYOURDHFZDTDU-LBPRGKRZSA-N 320.397 -0.079 30 20 DBED C=C(C)CN(C)c1nnnn1CCOCCS(C)(=O)=O 1343945756 OFUSFJGEZCACBP-UHFFFAOYSA-N 303.388 -0.253 30 20 DBED CN(C)CC1CCN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)CC1 1345991681 VLMPGCIDEKXUHA-MRXNPFEDSA-N 322.409 -0.336 30 20 DBED C=CCn1cc(CNC(=O)N[C@H](C)CS(C)(=O)=O)nn1 1349004912 KVJNUGOSUFGVOH-SECBINFHSA-N 301.372 -0.304 30 20 DBED C=C(C)CN(C)c1nnnn1C[C@@H]1CCN(S(C)(=O)=O)C1 1355667396 ZQDGSYPZMTYGEP-LLVKDONJSA-N 314.415 -0.033 30 20 DBED CN1CCC(N(C)C(=O)Cn2cc(C#N)c(O)nc2=O)CC1 1361748251 YOLIFHBCVSQOBH-UHFFFAOYSA-N 305.338 -0.627 30 20 DBED C[C@H]1OC(=O)N[C@H]1C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N 1363504300 NCIWJROMMCNKAK-VXNVDRBHSA-N 320.309 -0.447 30 20 DBED Cn1c(=O)[nH]c(N2CC[C@](O)(C(F)(F)F)C2)c(C#N)c1=O 1363729013 GVBUJEKVKSFFSM-SNVBAGLBSA-N 304.228 -0.551 30 20 DBED COC(=O)[C@@H]1CS(=O)(=O)CCN1Cc1cc(C#N)ccn1 1363844088 VLQZIFMREOYUMO-LBPRGKRZSA-N 309.347 -0.275 30 20 DBED C[C@H](C#N)C(=O)NCC1(C)CCN(C(=O)[C@H]2COC(=O)N2)CC1 1379990673 FSSGRRQAIDHQAS-GHMZBOCLSA-N 322.365 -0.001 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCN(C)C(=O)c1cccc(C(N)=O)n1 1391851987 GRQIZOWFSSNQNZ-JTQLQIEISA-N 317.349 -0.129 30 20 DBED COCCN(CCNC(=O)[C@H](C)C#N)C(=O)Cc1ncc[nH]1 1396174405 RFCHJJTWDYZDKN-LLVKDONJSA-N 307.354 -0.297 30 20 DBED Cc1nc(CC(=O)N2CC[C@H](CNC(=O)[C@H](C)C#N)C2)n[nH]1 1397652526 IDSUPNXTMATLGI-MWLCHTKSSA-N 304.354 -0.220 30 20 DBED C[C@@H](C#N)C(=O)N(C)CC(C)(C)CNC(=O)Cn1ncnn1 1404268300 ZOODPOXKCPIBAG-JTQLQIEISA-N 307.358 -0.566 30 20 DBED CCNC(=O)NC(=O)[C@H](C)N(C)CCN(C)C(=O)[C@H](C)C#N 1406082553 XEDKNWCXOULTDM-MNOVXSKESA-N 311.386 -0.230 30 20 DBED CNC(=O)NCCC(=O)N1CC[C@H](N(C)C(=O)[C@H](C)C#N)C1 1407215253 NEJXROIAMGQAHT-MNOVXSKESA-N 309.370 -0.476 30 20 DBED N#CCc1ccnc(NC(=O)NCCN2CCNC(=O)C2)c1 1413603221 AJKCATVYTSXYCX-UHFFFAOYSA-N 302.338 -0.299 30 20 DBED COc1cccc(CC(=O)NC[C@H](O)CNC(=O)[C@@H](C)C#N)c1 1416783046 UXVBVKFOFHPJKW-AAEUAGOBSA-N 319.361 -0.009 30 20 DBED CC(=O)N[C@H](C)C(=O)NCC1(NC(=O)c2c[nH]c(C#N)c2)CC1 1433830573 NVGXUDVAONYTRI-SECBINFHSA-N 317.349 -0.210 30 20 DBED Cn1cc(S(=O)(=O)NCC(=O)NCC(C)(C)CC#N)cn1 1451106051 LGIVQEBIEYJXHM-UHFFFAOYSA-N 313.383 -0.246 30 20 DBED COC(=O)NCC(=O)N[C@H](C)CCNC(=O)c1cc(C#N)c[nH]1 1455010424 XPGKMGXTAFXKBC-SECBINFHSA-N 321.337 -0.133 30 20 DBED CN(CCC#N)S(=O)(=O)NC[C@@H]1CCCS(=O)(=O)C1 1463806591 IMWDSLMNXUATEZ-JTQLQIEISA-N 309.413 -0.509 30 20 DBED COCCN(CCNC(=O)[C@@H](C)C#N)C(=O)Cc1cc[nH]n1 1511867526 PAENHVURKHEWMI-NSHDSACASA-N 307.354 -0.297 30 20 DBED CN(CCNC(=O)c1cc(C#N)c[nH]1)C(=O)[C@@H]1CC[C@H]1C(N)=O 1528019505 XRKMYWSIEBBCMV-GHMZBOCLSA-N 317.349 -0.414 30 20 DBED CO[C@H]1CCCCN(CC(=O)N[C@@H]2CCCN(O)C2=O)C1=O 1552209885 NZYYOOJROATYJK-MNOVXSKESA-N 313.354 -0.490 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](C)N(C)c1cnc(-c2nn[nH]n2)cn1 1573577223 NQXDSUJKLCMHHW-RKDXNWHRSA-N 315.341 -0.243 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCC[C@@H]1CC(=O)O)[C@H]1CCCO1 1588371079 VLWXKVUIUQRODQ-GRYCIOLGSA-N 308.334 -0.251 30 20 DBED C=C(C)CS(=O)(=O)N[C@@H]1CCCCN(CC(=O)O)C1=O 1588443848 YEYNIWGPCLGLSH-SNVBAGLBSA-N 304.368 -0.052 30 20 DBED C[C@@H](C(=O)[C@H](C#N)C(=O)NC1CC1)n1cnc(-c2nn[nH]n2)n1 1588935985 CAVQMNVUXBGXHB-XPUUQOCRSA-N 315.297 -0.993 30 20 DBED C[C@H](C(=O)Nc1cc(C#N)ccn1)n1cnc(-c2nn[nH]n2)n1 1589011823 NPZBVMGRQPREIY-SSDOTTSWSA-N 310.281 -0.075 30 20 DBED COCC#CCN[C@H](C)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 1591361178 KOTZKUXBKXOZGI-SNVBAGLBSA-N 317.353 -0.448 30 20 DBED COc1nn(C)cc1CNc1cnc(-c2nn[nH]n2)c(C#N)n1 1591670068 ORUJLLCBXRJRJG-UHFFFAOYSA-N 312.297 -0.117 30 20 DBED N#CCCCNC(=O)N1CCN([C@@]2(C(=O)O)CCOC2)CC1 1601065596 OXQNFCNDHHEFMH-AWEZNQCLSA-N 310.354 -0.139 30 20 DBED N#Cc1cccc(OCC(=O)N2CCNC(=O)[C@H]2CC(=O)O)c1 1601121226 FDEBXPROPFPMSV-GFCCVEGCSA-N 317.301 -0.261 30 20 DBED Cc1nc(C(=O)N[C@H](Cn2cncn2)C(=O)O)ccc1C#N 1607945992 NMGFREFSYMOSIG-LLVKDONJSA-N 300.278 -0.264 30 20 DBED N#CC[C@@]1(O)CCN(S(=O)(=O)N2CCC(C(=O)O)CC2)C1 1608180975 BZVCGWWAWSKCLV-GFCCVEGCSA-N 317.367 -0.622 30 20 DBED O=C(Cn1cc(C(=O)O)nn1)NCc1ccc(C(=O)NO)cc1 1610677582 WSYSCHJMFRCQMV-UHFFFAOYSA-N 319.277 -0.588 30 20 DBED C#CCNC(=O)CN1CCC[C@@H](NC(=O)C[C@H]2COC(=O)C2)C1 1660813871 AIAQXFLCURPKQD-CHWSQXEVSA-N 321.377 -0.730 30 20 DBED C=CCNC[C@H]1CCCN1C(=O)CN(C)S(=O)(=O)N(C)C 1671298289 OZEYJCKMIGFWGX-GFCCVEGCSA-N 318.443 -0.509 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2CCN(CC(=O)NC(N)=O)C2)cc1 1698547176 SWLVBRCLOLXQPP-ZDUSSCGKSA-N 314.345 -0.333 30 20 DBED C#CCNC(=O)CNC[C@@H]1CCCCN1C(=O)[C@H]1COCCO1 1752825777 ISTDNLIHDURGKC-UONOGXRCSA-N 323.393 -0.878 30 20 DBED CC#CCN(C)[C@H]1CCCN(C(=O)Cn2c(O)nnc2O)C1 1752997735 SVOXWJOQYDSTAB-NSHDSACASA-N 307.354 -0.365 30 20 DBED C=CCN1CC[C@H](N(C)CCNC(=O)C(C)(C)NC(C)=O)C1=O 1753067502 NLHPTDFPYKYEPW-ZDUSSCGKSA-N 324.425 -0.264 30 20 DBED C#CCNC(=O)CN1CC[C@H](CCNC(=O)c2cnc(C)[nH]2)C1 1753324317 BHXHCGKITAFGPO-ZDUSSCGKSA-N 317.393 -0.091 30 20 DBED COCCC1(C(=O)NCC2CN(CC(=O)NCC#N)C2)CC1 1753403789 IZWJMQUGRYLJSD-UHFFFAOYSA-N 308.382 -0.509 30 20 DBED C=CCNC(=O)[C@H](C)N1CC(CNC(=O)C2(C(=O)NC)CC2)C1 1753412613 PVNLVWITOUNSAO-NSHDSACASA-N 322.409 -0.749 30 20 DBED C=CCNC(=O)[C@H](C)N1CC[C@@H](N(C)C(=O)c2cnnn2C)C1 1753434763 HVIAMCYUUWHMQF-NWDGAFQWSA-N 320.397 -0.348 30 20 DBED C=CCNC(=O)CNC[C@H](C)CNC(=O)c1cccn(C)c1=O 1753636979 GBSZKQIORXJDCD-LBPRGKRZSA-N 320.393 -0.357 30 20 DBED C=CCNC(=O)NC(=O)CNC[C@H](C)NC(=O)c1cnccn1 1754257315 LHGITYUVQFAERK-JTQLQIEISA-N 320.353 -0.804 30 20 DBED C[C@@H](CN(C)[C@@H](C)C(=O)NC(N)=O)NC(=O)CSCC#N 1754303384 UPMBABWUFZHVQS-IUCAKERBSA-N 315.399 -0.737 30 20 DBED C=CCNC(=O)CNC1(CNC(=O)[C@H]2CC(=O)N(CC)C2)CC1 1754516969 VSACBYLIOLHNPW-LBPRGKRZSA-N 322.409 -0.605 30 20 DBED C#CCNC(=O)CNC1(CNC(=O)c2c[nH]nc2C2CC2)CC1 1754531005 LUWYVLOHKZPFGR-UHFFFAOYSA-N 315.377 -0.112 30 20 DBED C=CCNC(=O)[C@@H](C)NC[C@@]1(C)CCN(C(=O)CC(N)=O)C1 1754690712 RCUOMSBZWNEWHS-IAQYHMDHSA-N 310.398 -0.619 30 20 DBED C/C(=C\C(=O)N1CCO[C@H](CNCC(=O)NCC#N)C1)C1CC1 1754993874 CHEWZIGSGUOVPE-CEFACKQISA-N 320.393 -0.201 30 20 DBED CCC[C@@H](C(=O)N[C@H]1CCCN(CC#N)CC1)S(N)(=O)=O 1755026456 QABGKLZMOCXFKJ-RYUDHWBXSA-N 316.427 -0.062 30 20 DBED C[C@@]1(C(=O)N2CCC[C@@](CO)(NCC#N)C2)CCC(=O)NC1 1755087179 ATHSJTVGXMPCIP-HUUCEWRRSA-N 308.382 -0.631 30 20 DBED CC(C)(C)S(=O)(=O)CC(=O)NC1(CCO)CN(CC#N)C1 1755337534 JWDHPEQDDMSXMU-UHFFFAOYSA-N 317.411 -0.724 30 20 DBED CC#CCN1CC(CCO)(NC(=O)CCc2cn(C)nn2)C1 1755344084 KWBAEPKMMXILLK-UHFFFAOYSA-N 305.382 -0.676 30 20 DBED COCC#CCN1C[C@H](NC(=O)[C@H](C)CC(N)=O)C(C)(C)C1 1755409595 ABJFMYHTRQAMFQ-OLZOCXBDSA-N 309.410 -0.026 30 20 DBED CCc1noc(COCC(=O)NCC2[C@@H]3CN(CC#N)C[C@@H]23)n1 1755433302 CMJFCSSVSXQGAZ-RYUDHWBXSA-N 319.365 -0.034 30 20 DBED C=CCC[C@@H](C)N[C@H](CO)CNC(=O)c1nnc(O)nc1O 1755640416 DGLCWTJEJOKNBF-BDAKNGLRSA-N 311.342 -0.682 30 20 DBED Cc1nn[nH]c1C(=O)N1C[C@H](NCC(=O)NCC#N)C(C)(C)C1 1755760439 MSOCPWSGPUIGDC-JTQLQIEISA-N 319.369 -0.807 30 20 DBED CC#CCN(C)C[C@H](O)CN(C)C(=O)c1ccc(OC)nn1 1755807083 PZCXLEYFBLPJEA-LBPRGKRZSA-N 306.366 -0.127 30 20 DBED C#CCO[C@H](C)C(=O)NCC1CC(NC(=O)CNC(C)=O)C1 1755927908 XXKYVKFNNCZUBI-QFWMXSHPSA-N 309.366 -0.828 30 20 DBED C#CCCCC(=O)N(C)[C@@H](C)CNC(=O)[C@H]1CN(C)C(=O)N1 1756054205 JAEPTEIUIOERAA-NWDGAFQWSA-N 308.382 -0.223 30 20 DBED C#CCCCC(=O)NCC1[C@H]2CN(C(=O)c3nnn(C)n3)C[C@H]12 1756198711 GCFAZPSQVOPLCF-VXGBXAGGSA-N 316.365 -0.552 30 20 DBED C=C(C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2n[nH]c(C)n2)C1 1756993574 GFCUFSSFKPSSQY-VXGBXAGGSA-N 321.381 -0.300 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(C(=O)c2[nH]nnc2C)C[C@H]1O 1757008725 JYARKZIUQCEXHS-GHMZBOCLSA-N 323.353 -0.993 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@H](NC(=O)c2nccnc2N)C1 1757162723 CBSKSRLJRVXODX-MNOVXSKESA-N 317.349 -0.836 30 20 DBED Cn1cc(C(=O)O)cc1C=NN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C=C[C@H]2O1 1776101930 BWXNCBBEEVRDKU-DDHJBXDOSA-N 315.285 -0.004 30 20 DBED C#CCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)CN 1795517325 RQFYJTRZGWDMQK-AYDFFVQHSA-N 321.421 -0.026 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn(C)c1)C2 1800450571 GEGFXKAISKPDTM-DABQJJPHSA-N 302.334 -0.744 30 20 DBED CC(C)N(C)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC#N)C2 1801550237 AKXSEBRFNUDABK-YWVIFJGQSA-N 322.409 -0.170 30 20 DBED Cc1ncoc1C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1842504217 ZZYHSTPOORLODN-UHFFFAOYSA-N 317.301 -0.112 30 20 DBED CC(C)=NO[C@@H](C)C(=O)N1CCCC12CN(C(=O)C(O)O)C2 1845251236 IKCZYBXTRPNBRB-JTQLQIEISA-N 313.354 -0.699 30 20 DBED C=CCC(=O)N1CCCC12CN(C(=O)[C@@H](O)N1CCOCC1)C2 1846376994 FLWAFXYZBUJHKI-CQSZACIVSA-N 323.393 -0.584 30 20 DBED C#CCCC(=O)N1CCCC12CN(C(=O)[C@@H]1CNC(=O)C1)C2 1846998851 HQIUYRSONZBIMZ-LBPRGKRZSA-N 303.362 -0.261 30 20 DBED Cn1c(NCCNc2cnccn2)c(C#N)c(=O)n(C)c1=O 36823992 VRMJJNSPQWOOBO-UHFFFAOYSA-N 301.310 -0.730 30 20 DBED Cn1c(N2CCN(CC3CC3)CC2)c(C#N)c(=O)n(C)c1=O 52472598 PDPKIWVCRIWLBO-UHFFFAOYSA-N 303.366 -0.512 30 20 DBED C=CCNC(=O)CN(CCCOC)[C@@H]1CCS(=O)(=O)C1 71119222 SLNNTTPTYKYBOQ-GFCCVEGCSA-N 304.412 -0.186 30 20 DBED CCN(CCC#N)C(=O)CN1CCN(S(C)(=O)=O)CC1 76781350 KAMNRISCNPDJLP-UHFFFAOYSA-N 302.400 -0.674 30 20 DBED COCCN/C(N)=N/CCCN1CCN(c2ncccn2)CC1 161490751 YXJFMBQMPSKTLA-UHFFFAOYSA-N 321.429 -0.461 30 20 DBED Cn1c(=O)c2c(ncn2CC(=O)OC(C)(C)C#N)n(C)c1=O 181847012 ODGVVSAPANHHCT-UHFFFAOYSA-N 305.294 -0.721 30 20 DBED N#C[C@H]1CN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CCO1 264456629 DWMFBIMEOWQTQL-QMMMGPOBSA-N 312.307 -0.029 30 20 DBED COC[C@@](C)(C#N)NC(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1 269506675 CCMJMBSWCNETTF-DGCLKSJQSA-N 324.362 -0.239 30 20 DBED N#Cc1ncccc1S(=O)(=O)NC[C@H]1CC[C@@H](C(N)=O)O1 277127572 IYGZRTGTWYPDGL-SCZZXKLOSA-N 310.335 -0.736 30 20 DBED Cc1nnc2n1C[C@H](C/N=C(/O)N[C@@H]1CC(=O)N(C)C1)CC2 329921174 HLQWFIVYHXIOKI-WDEREUQCSA-N 306.370 -0.117 30 20 DBED C=CCCS(=O)(=O)N(C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 331102347 PERILKSCJODBKD-SNVBAGLBSA-N 324.424 -0.873 30 20 DBED CCN1CCC(N(C)S(=O)(=O)N2CCO[C@H](C#N)C2)CC1 336911237 IZWYEQWKSULNTC-CYBMUJFWSA-N 316.427 -0.128 30 20 DBED CCN(CCC#N)S(=O)(=O)N[C@](C)(COC)C(=O)OC 336929907 ARIFJLWMMNIOPN-LLVKDONJSA-N 307.372 -0.366 30 20 DBED COCCN(CCC#N)S(=O)(=O)NCC1(CO)CCC1 336953622 WVAFGGUTINEHPM-UHFFFAOYSA-N 305.400 -0.155 30 20 DBED CCN(CCC#N)S(=O)(=O)N[C@H](CCSC)C(=O)NC 341667013 RASOBBWWWPNIBJ-SNVBAGLBSA-N 322.456 -0.076 30 20 DBED CNC(=O)[C@@H](C)NC(=O)C(=O)N1CCc2ccc(C#N)cc21 341975922 SOCZWFMPSYORHT-SECBINFHSA-N 300.318 -0.302 30 20 DBED C=CCOCC(=O)NCCNS(=O)(=O)Cc1ccon1 342841161 MEYXDLWPAMJUQA-UHFFFAOYSA-N 303.340 -0.587 30 20 DBED N#Cc1ncn(CCNS(=O)(=O)c2cccc3c2OCO3)n1 352638959 YIHMYYNPCGVFHU-UHFFFAOYSA-N 321.318 -0.143 30 20 DBED CN1CC[C@](O)(CNC(=O)C(=O)Nc2ccc(C#N)c(F)c2)C1 354184266 CUJODMOMHWYEMD-HNNXBMFYSA-N 320.324 -0.181 30 20 DBED COC(=O)CN(CC(=O)OC)C(=O)Cc1noc(C)c1C#N 354439487 PSKZBAXFGIWMTQ-UHFFFAOYSA-N 309.278 -0.428 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCC[C@@H](O)C(C)C)C1=O 357222625 DOAGJCWMGZFYLV-SNVBAGLBSA-N 311.338 -0.514 30 20 DBED CC[C@@H]1C(=O)N(CC)CCN1C(=O)NCCn1cnc(C#N)n1 357862592 ALSSJGWBPMZPQK-LLVKDONJSA-N 319.369 -0.198 30 20 DBED CCCCNC(=O)[C@@H]1CCCN(C(=O)NCC(=O)NCC#N)C1 358314958 PKNDORQHTJSFED-GFCCVEGCSA-N 323.397 -0.036 30 20 DBED CNC(=O)[C@H]1CN(C(=O)CNc2cccc(C#N)c2)CCO1 359612785 TVQPFJUEVZAUGQ-CYBMUJFWSA-N 302.334 -0.056 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N1C[C@H](C)O[C@@H](COC)C1 410907614 DVJMSEWEYIKLAD-QWHCGFSZSA-N 314.382 -0.090 30 20 DBED N#Cc1ccc(OCCNC(=O)C(=O)NC[C@H](N)C2CC2)cc1 419464238 MUJXQTHFNRQAPG-AWEZNQCLSA-N 316.361 -0.093 30 20 DBED Cc1nc(O)nc(O)c1NC(=O)CNc1ccc(C#N)cn1 427154472 HTERKCODQFWPKU-UHFFFAOYSA-N 300.278 0.514 30 20 DBED CC(C)N1C[C@@H](NC(=O)CNc2ccc(C#N)cn2)CC1=O 448861992 RBRDHIYRIDVTTI-LBPRGKRZSA-N 301.350 0.491 30 20 DBED C#CCNC(=O)CCN1CCC(N(CC)S(C)(=O)=O)CC1 491202281 NGEOQVBNFLFKPS-UHFFFAOYSA-N 315.439 -0.128 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2c(C)nnn2CC)CC1 491496231 OYRLBZZXJQUFJT-UHFFFAOYSA-N 318.381 -0.886 30 20 DBED C#CCN1CCN(C(=O)CN2CCn3cnnc3[C@@H]2C)CC1 491819694 VEYIFYJUEJVAIQ-ZDUSSCGKSA-N 302.382 -0.568 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N2CC[C@@H](n3cccn3)C2)CCO1 569657707 PGDAHWYUWKRTGV-VXGBXAGGSA-N 311.367 -0.401 30 20 DBED CNC(=O)CCNC(=O)CNS(=O)(=O)c1cccc(C#N)c1 572804676 RVWGFBVESXGBJB-UHFFFAOYSA-N 324.362 -0.911 30 20 DBED CN(C)S(=O)(=O)CCNCc1cnc2c(C#N)cnn2c1 574519375 QSEKHPDEONRTJP-UHFFFAOYSA-N 308.367 -0.418 30 20 DBED N#CC1(CNC(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)CC1 584507927 UPFQEIAGOTZLOQ-IQIPOGNMSA-N 303.318 -0.431 30 20 DBED N#C[C@H](CO)NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 597750494 YPMYVMJGDOUAFN-SNVBAGLBSA-N 306.278 -0.285 30 20 DBED COC[C@@H](CS(=O)(=O)N1CCN(CCC#N)CC1)OC 603394867 ZMZZXKMJHGJHDM-LBPRGKRZSA-N 305.400 -0.491 30 20 DBED CC(C)C[C@H](C#N)NC(=O)CN1CCN(S(C)(=O)=O)CC1 610738413 LXSXLXKWYLWLGQ-GFCCVEGCSA-N 316.427 -0.382 30 20 DBED CNC(=O)[C@H]1CCC[C@@H]1Nc1c(C#N)c(=O)n(C)c(=O)n1C 611221852 CQVIXSIEMNQYPR-WPRPVWTQSA-N 305.338 -0.718 30 20 DBED NC(=O)CNC(=S)NN=C1C(=O)Nc2ccc(Cl)cc21 731930510 ZZJFGEOLRUXVNQ-UHFFFAOYSA-N 311.754 -0.054 30 20 DBED C[C@H](CNc1cccc(S(N)(=O)=O)c1C#N)S(N)(=O)=O 755018509 DUHNJOKNTPRCIH-SSDOTTSWSA-N 318.380 -0.705 30 20 DBED C#CCNC(=S)NC[C@H](O)CS(=O)(=O)c1cccs1 758251397 KEBQALAPZHCYBN-VIFPVBQESA-N 318.445 -0.020 30 20 DBED C#CCOCCNC(=O)c1coc(S(=O)(=O)N(C)C)c1 784606451 JURFKDZBIRXFNS-UHFFFAOYSA-N 300.336 -0.091 30 20 DBED C#CCOc1ccc(NC(=O)C(=O)N(C)C[C@H](O)CO)cc1 785113879 CHGTUAHXTXVDKV-LBPRGKRZSA-N 306.318 -0.551 30 20 DBED CCN(CCC#N)S(=O)(=O)NC[C@H]1CN2CCC[C@H]2CO1 800034774 YODQTMTWVJDPBG-STQMWFEESA-N 316.427 -0.080 30 20 DBED C#CCCCS(=O)(=O)NCCNS(=O)(=O)NC(C)C 805077880 FTCIRNHSBOQBMP-UHFFFAOYSA-N 311.429 -0.848 30 20 DBED N#Cc1cncc(S(=O)(=O)NC(=O)CC2OCCCO2)c1 813983354 RJBRLVPGOGLTTF-UHFFFAOYSA-N 311.319 -0.089 30 20 DBED C#C[C@@H](NC(=O)C(=O)N1CCC[C@@H]2COC[C@@H]21)[C@@H]1CCCO1 817838870 UAGWMYCDQRHKOT-MQYQWHSLSA-N 306.362 -0.079 30 20 DBED C[C@@](C#N)(CC(=O)O)C(=O)NCC1CCS(=O)(=O)CC1 819835200 SUDCCFJZUZEFMJ-LBPRGKRZSA-N 302.352 -0.068 30 20 DBED N#CCN1CCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 822811456 ZGSNOVVBMXDUEG-UHFFFAOYSA-N 315.297 -0.185 30 20 DBED C#Cc1cccc(CNC(=O)C(=O)N(C)CCNC(C)=O)c1 834849674 XQDYQNXQOHHKSM-UHFFFAOYSA-N 301.346 -0.121 30 20 DBED O=C(C#CC1CC1)N1CCN(CC(=O)N2CCOCC2)CC1 837317770 VRJDISREYOEVEH-UHFFFAOYSA-N 305.378 -0.597 30 20 DBED C#C[C@H](NC(=O)N1CCN([C@@H]2CCNC2)CC1)[C@H]1CCCO1 841879957 UKCGADDPWCUPCA-QLFBSQMISA-N 306.410 -0.144 30 20 DBED COc1ccc(CN2CCC(=NNC3=NCC(=O)N3)C2=O)cc1 863176552 VOYMMHNHLFYDLT-UHFFFAOYSA-N 315.333 -0.141 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)NCC1([S@](C)=O)CC1 875382329 ASFBVWZHLKRMBY-FIKIJFGZSA-N 314.407 -0.442 30 20 DBED C#CC1(O)CN(C(=O)[C@H]2CCCCN2S(=O)(=O)CCC)C1 890520571 JWRLFFLAORYVTM-GFCCVEGCSA-N 314.407 -0.213 30 20 DBED COc1cc(C#N)ccc1OCC(=O)NCCN(C)CCO 899727816 GTIBVEKKHYIYGP-UHFFFAOYSA-N 307.350 -0.014 30 20 DBED N#Cc1cc(F)c(C(=O)NC[C@]2(CO)COCCN2)c(F)c1 913186536 JFDLRCFLIYDMSR-AWEZNQCLSA-N 311.288 -0.083 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)c2c[nH]c(C(N)=O)c2)C1 937985491 OYIHTSBJVNLZDJ-WPRPVWTQSA-N 303.322 -0.396 30 20 DBED C=C[C@](C)(CC)C(=O)N1CC[C@H](NC(=O)Cn2ncnn2)C1 938000522 DKQFVKBDSOMWIB-SMDDNHRTSA-N 306.370 -0.008 30 20 DBED NC(=O)N1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C#CC2CC2)C1 938199420 ASVSAFKOAARHTN-STQMWFEESA-N 318.377 -0.340 30 20 DBED CN1C[C@@H](C(=O)N[C@@H]2CCCN(C(=O)C#CC3CC3)C2)NC1=O 950761749 NEIWPLDOZAWOMP-OLZOCXBDSA-N 318.377 -0.469 30 20 DBED C=CCn1cc(C(=O)N(CC)C2CN([C@H](CC)C(N)=O)C2)nn1 952425088 GBRJQGLASHSIST-CYBMUJFWSA-N 320.397 -0.126 30 20 DBED C[C@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)Cn1ncnn1)CC2 952592374 WRDMIERXBLTLJH-WOPDTQHZSA-N 317.353 -0.575 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](CNC(=O)c2cccn(C)c2=O)C1 958595635 STOXLQILKVHPDT-TZMCWYRMSA-N 305.378 -0.016 30 20 DBED C#CCN1CCC(C(=O)NC[C@H]2CN(CC#C)C[C@@H]2O)CC1 958724372 OFGSIDDPURMXOR-HOTGVXAUSA-N 303.406 -0.626 30 20 DBED C[C@@H](NC(=O)c1nnn(C)n1)[C@H]1CCN(C(=O)C#CC2CC2)C1 959158149 OPCUMCCMSYTIDI-PWSUYJOCSA-N 316.365 -0.410 30 20 DBED C#Cc1cncc(C(=O)NC[C@@H]2CN(C(=O)C(N)=O)C[C@H]2C)c1 959571653 AUTYJWKINKMCCT-ZWNOBZJWSA-N 314.345 -0.628 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2CN(C(=O)C(N)=O)C[C@H]2C)cn1 959574404 YGMDLBUQGCFYAE-PWSUYJOCSA-N 314.345 -0.628 30 20 DBED CSCC(=O)N1C[C@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 962139414 SAZQJJHZIWRIPC-MNOVXSKESA-N 308.363 -0.449 30 20 DBED O=C(N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O)c1cncc(F)c1 962214970 LSLFXYFOEQOONE-KGLIPLIRSA-N 317.320 -0.064 30 20 DBED C=C(C)CN1C[C@@H]2C(NC(=O)CN3CC(=O)N(C)C3=O)[C@H]2C1 962288000 NDYNMYFLTHAVPT-QWRGUYRKSA-N 306.366 -0.497 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(C1)CN(C(=O)[C@@H]1COCCO1)CCO2 965309533 BJJJNVVFVIBWJB-RYUDHWBXSA-N 323.349 -0.999 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC2(CN(C(=O)c3cnn(C)n3)C2)C1 965474850 RULNCVFXGXNANN-JTQLQIEISA-N 318.337 -0.972 30 20 DBED C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)CN2CCNC(=O)C2)C1 967724238 PNUITYXNXBHDRD-KBPBESRZSA-N 308.426 -0.179 30 20 DBED C=CCN1CC[C@@H](N2CC([C@H](C)NC(=O)c3nc[nH]n3)C2)C1=O 970613568 RFEVAIVRLILKOD-CMPLNLGQSA-N 318.381 -0.358 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CC[C@H]1CN2CC(N)=O 971476153 QAGOWCLSPIKIMR-RDBSUJKOSA-N 304.394 -0.756 30 20 DBED C#CCN[C@H]1CCN(C(=O)c2coc(S(N)(=O)=O)c2)[C@@H]1C 986442000 RYDULIRLVJUKBR-KOLCDFICSA-N 311.363 -0.247 30 20 DBED C[C@H]1C[C@@H](NCC#N)CN1C(=O)c1cc(=O)n2[nH]cnc2n1 989672507 LPEMHROSPGPTDR-DTWKUNHWSA-N 301.310 -0.866 30 20 DBED N#Cc1cc(C(=O)N2CC(NC(=O)[C@H]3COCCO3)C2)c[nH]1 990275252 IWLRZCHCLNTGEF-GFCCVEGCSA-N 304.306 -0.758 30 20 DBED CC#CCN1CC[C@@]2(NC(=O)CN3CCOCC3=O)CCC[C@@H]12 991088431 LRPJMMIKUMXYEX-PBHICJAKSA-N 319.405 -0.018 30 20 DBED Cc1nn[nH]c1C(=O)N[C@@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1O 991654929 WSGBZZFEEAPCJD-NEPJUHHUSA-N 317.349 -0.782 30 20 DBED CC(=O)N1CCO[C@H](C(=O)N[C@]23CCC[C@@H]2N(CC#N)CC3)C1 992463888 HIJDXOLJXGNRMC-DZKIICNBSA-N 320.393 -0.130 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)c3cn(C)nn3)C[C@]2(C)C1 992862263 YBFPNHJLPWGJOI-HFAKWTLXSA-N 316.365 -0.105 30 20 DBED C[C@H](C#N)C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cn(C)nn1 996239390 UBBAJCTYPUPMAQ-SVDPJWKOSA-N 302.338 -0.164 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)CS(C)(=O)=O)C2)cn1 997091403 YCBHAPITTVTWKN-UHFFFAOYSA-N 321.358 -0.952 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2C[C@H]2C(N)=O)C1 999940241 UNGYQRDDIKHQNV-NDBYEHHHSA-N 321.377 -0.584 30 20 DBED C=CCN[C@@H]1CCCN(C(=O)C2CC3(C2)NC(=O)NC3=O)C1 1000442181 HGHURGLMQWPAFR-LOIXOFCESA-N 306.366 -0.259 30 20 DBED C#CCN1CCC(CNC(=O)c2cnc(O)n(C)c2=O)CC1 1001713050 RLMXRYSEJIHJAI-UHFFFAOYSA-N 304.350 -0.439 30 20 DBED C[C@@H](C#N)C(=O)N1CC(CNC(=O)[C@H]2CCCc3nn[nH]c32)C1 1003911020 XVQCAFSYMPSFKI-ONGXEEELSA-N 316.365 -0.041 30 20 DBED N#Cc1ccc(C(=O)NC2[C@H]3CN(C(=O)Cn4ccnc4)C[C@H]23)[nH]1 1012965735 GWSYXQUOVUJKAK-RYUDHWBXSA-N 324.344 -0.030 30 20 DBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1[C@H]2CN(C(=O)C(N)=O)C[C@H]12 1013168354 WISFKJLIEAREGU-ZPFDUUQYSA-N 321.377 -0.584 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NC1[C@@H]2CN(C(=O)C(N)=O)C[C@@H]12 1013183004 OMFULXGWMWURNS-DBIOUOCHSA-N 307.350 -0.974 30 20 DBED C[C@@H](C#N)C(=O)N1CC=C(CNC(=O)[C@@H]2CCC(=O)NC2)CC1 1017560711 LFPQNUFDOYSEQG-WCQYABFASA-N 318.377 -0.053 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H](C(=O)N2CCN(CCO)CC2)C1 1018364653 WWURPGRILYBCTD-KBPBESRZSA-N 322.409 -0.479 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCN(C(=O)c3nnn(C)n3)C2)C1 1019365251 XAWJTNNJXQDJRF-SECBINFHSA-N 303.326 -0.956 30 20 DBED C=C[C@@](C)(CC)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnon2)C1 1025240370 ZFQHQIMJRXQDHH-GYSYKLTISA-N 308.338 -0.027 30 20 DBED N#CCN1C[C@H]2[C@H](NC(=O)[C@]34C[C@H]5C[C@H](C(=O)N3)[C@H]4C5)[C@H]2C1 1025837771 KSVUIKXTSQBUIT-QWQDZHKHSA-N 300.362 -0.529 30 20 DBED C=C(Cl)CN1CC(CNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 1032014507 BVBXHADLIQYIMJ-VIFPVBQESA-N 300.746 -0.615 30 20 DBED CN(C)[C@@H](Cn1cccn1)C(=O)N1C[C@@H]2C[C@H]1CN2CC#N 1032444092 KJQKJDDCWRNAAF-IHRRRGAJSA-N 302.382 -0.378 30 20 DBED CC#CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCc2nnc(O)n2C1 1032484268 GWPKLHONLQAMAQ-AGIUHOORSA-N 315.377 -0.146 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)c2cc(=O)n3[nH]cnc3n2)C1 1033579637 AVHFREBLCHXJTH-JTQLQIEISA-N 302.338 -0.250 30 20 DBED C#CCN1CCC(C(=O)N(C)[C@H]2CCN(CC(=O)NC)C2)CC1 1033684120 DDMYTPCWNTZGGU-HNNXBMFYSA-N 320.437 -0.390 30 20 DBED CC1(C)C(=O)NC(=O)N1CC(=O)N[C@@H]1CCCCN(CC#N)C1 1034471363 HUSMBGNMBILOSA-LLVKDONJSA-N 321.381 -0.189 30 20 DBED C=CCN[C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C[C@@H]1C 1036038092 LJYJMPAKZCZWMH-WDEREUQCSA-N 306.370 -0.610 30 20 DBED C=CCN1CC[C@@H]2CN(C(=O)CN3CCNC(=O)C3)CC[C@@H]21 1036792188 LKQUOBLZUPBKBX-KGLIPLIRSA-N 306.410 -0.473 30 20 DBED C=C(Cl)CN1CC[C@H]1CNC(=O)c1cc(=O)n2[nH]cnc2n1 1038923955 WFROHXUMFSVTJP-VIFPVBQESA-N 322.756 -0.026 30 20 DBED C#CCN1CCC[C@@]2(CCN(C(=O)c3nnc(O)nc3O)C2)C1 1040280285 CVWGASPFZXHGRO-OAHLLOKOSA-N 317.349 -0.156 30 20 DBED CCn1cnc(C(=O)NC[C@@]2(O)CCN(C(=O)[C@H](C)C#N)C2)c1 1040357559 QIBFFOPIFWSAPG-ABAIWWIYSA-N 319.365 -0.244 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]2CN(c3ccc4nnnn4n3)C[C@H]21 1040541067 MUNJEZXXQADVJJ-OUAUKWLOSA-N 312.337 -0.284 30 20 DBED Cc1ccn(CC(=O)N2CC[C@@](O)(CNC(=O)[C@H](C)C#N)C2)n1 1040766930 UHVUCJNQSWOFNC-IAQYHMDHSA-N 319.365 -0.569 30 20 DBED C#CCCCC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2CCOC2)C1 1040790418 KLAUTECYAZAHAJ-CJNGLKHVSA-N 308.378 -0.094 30 20 DBED N#Cc1cncc(N2C[C@@H](O)[C@H](NC(=O)c3cnns3)C2)n1 1040943349 TWHVDPMMAAFPMB-RKDXNWHRSA-N 317.334 -0.821 30 20 DBED CC[C@H](OC)C(=O)NCC1(O)CN(C(=O)c2cc(C#N)c[nH]2)C1 1041905017 PFQCSQWEPTVUOB-LBPRGKRZSA-N 320.349 -0.386 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)[C@@H](C)SC)C1 1042040593 VQYLLTIPJZZMKX-SNVBAGLBSA-N 302.396 -0.370 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)CCn2cccn2)C1 1042803348 WYTJWLBBSIZTDJ-UHFFFAOYSA-N 318.377 -0.234 30 20 DBED O=C(C#CC1CC1)NCC1(O)CN(C(=O)Cc2ncc[nH]2)C1 1042960493 KLWOIAZONOJWFX-UHFFFAOYSA-N 302.334 -0.945 30 20 DBED N#Cc1nccnc1N1C[C@H](O)[C@H](NC(=O)c2cnsn2)C1 1043863329 MIUGAADBNMDNSX-ZJUUUORDSA-N 317.334 -0.821 30 20 DBED CC(=O)NC(C)(C)C(=O)NCC1(O)CN(C(=O)C#CC(C)C)C1 1043897501 ZDXMNYUNVAWOJC-UHFFFAOYSA-N 323.393 -0.750 30 20 DBED Cc1nonc1C(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@@H]1O 1044027980 AZBSIALRYAJMRO-PWSUYJOCSA-N 314.305 -0.376 30 20 DBED C=CCC1(C(=O)NCC2(O)CN(C(=O)c3cnn[nH]3)C2)CCC1 1046127014 RSZWDDVMOJAPJR-UHFFFAOYSA-N 319.365 -0.146 30 20 DBED Cn1nnnc1CN1CC[C@](C)(NC(=O)c2cc(C#N)c[nH]2)C1 1046224872 VZWSJOMDISRVTL-AWEZNQCLSA-N 314.353 -0.196 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)Cn2ncc3cccnc32)C1 1047459776 DWZJLDHMEUFOJA-KBPBESRZSA-N 313.361 -0.432 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCNC(=O)CC2)C1 1047470119 JFEFREOAIUFHQL-IHRRRGAJSA-N 307.394 -0.571 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CN(C(C)C)CCO2)C1 1047500133 YZNJSAJCCXSWKC-JYJNAYRXSA-N 323.437 -0.378 30 20 DBED C[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1CNCc1nc(=O)n(C)[nH]1 1048252873 KQYIYYWJOPTITD-AAEUAGOBSA-N 317.393 -0.294 30 20 DBED C#CCNC(=O)CC(=O)N(C)[C@H]1CN(C(=O)[C@H](C)CC)C[C@@H]1O 1048709006 OZHYDUZHNAFACL-AGIUHOORSA-N 323.393 -0.798 30 20 DBED C[C@H](NC(=O)CNC(N)=O)[C@@H]1CCN(C(=O)C#CC2CC2)C1 1050666962 UNVKDHRYYARGIL-CMPLNLGQSA-N 306.366 -0.579 30 20 DBED C#CCCN1CCOC[C@H]1CNC(=O)c1cc(C(N)=O)co1 1051109892 QCWZHXZKGKJERQ-GFCCVEGCSA-N 305.334 -0.168 30 20 DBED C=C(C)CN1CCOC[C@@H]1CNC(=O)[C@@H]1CCCS1(=O)=O 1051253851 CAGUXWSMFYVTDU-STQMWFEESA-N 316.423 -0.043 30 20 DBED N#Cc1nc(=NC2CC(CNC(=O)[C@@H]3COC(=O)N3)C2)cc[nH]1 1051918665 MKUYEHQWKSIPST-RTBKNWGFSA-N 316.321 -0.815 30 20 DBED N#CCN1CCN([C@H]2CCN(C(=O)CN3CCCC3=O)C2)CC1 1051977802 GOFWTXFOQKPXBY-AWEZNQCLSA-N 319.409 -0.649 30 20 DBED C#CCCN1CCN([C@@H]2CCN(C(=O)c3cn(C)nn3)C2)CC1 1052026640 RXUONTRFUAVYAE-CQSZACIVSA-N 316.409 -0.330 30 20 DBED C=CCOCC(=O)N1C[C@@H](C)[C@@H](CNC(=O)Cn2cncn2)C1 1052219853 DSPLZNGOSQZQDE-OLZOCXBDSA-N 321.381 -0.309 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)C(=O)N3CC[C@@H](C)C3)CO2)C1 1053979849 CAOMRPYAGCDMQK-ZIAGYGMSSA-N 319.405 -0.162 30 20 DBED C=CCOCC(=O)N1C[C@@H]2CN(C(=O)[C@H]3CCC(=O)N3)C[C@@H]2C1 1055246879 ANJQXYPYPDOMOI-FRRDWIJNSA-N 321.377 -0.616 30 20 DBED COCCC(=O)N1CCC[C@](CO)(NC(=O)C#CC2CC2)C1 1055938948 OGTOGUVHRJWMLF-INIZCTEOSA-N 308.378 -0.094 30 20 DBED Cn1nncc1C(=O)NC1[C@H]2CN(c3ccc(C#N)nc3)C[C@H]12 1056194721 OLTMXWVKTXYBGO-RYUDHWBXSA-N 309.333 -0.054 30 20 DBED Cn1ccc(C(=O)NC2[C@@H]3CN(c4ccc(C#N)nn4)C[C@@H]23)n1 1056225080 JFWGNSIHETWPFN-GHMZBOCLSA-N 309.333 -0.054 30 20 DBED CN(c1ccncc1C#N)[C@@H]1CCN(C(=O)Cn2cnnn2)C1 1056850263 XHEBRRSUMRYATE-GFCCVEGCSA-N 312.337 -0.323 30 20 DBED C=CCn1cc(C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N)nn1 1057626745 WDFCVEOOHQTYDO-NSHDSACASA-N 320.353 -0.826 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)Cc1cccnc1 1058653417 VDCGGNPDOIZETO-LBPRGKRZSA-N 304.350 -0.279 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)C[C@@H](C)n1cccn1 1058656912 MVZLWBVPAJYREJ-QWHCGFSZSA-N 321.381 -0.069 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)c1ccc(C(N)=O)[nH]1 1058857881 GMAINOHRHWAFMH-UHFFFAOYSA-N 322.365 -0.370 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)CCCN(C)C 1061827908 NJOGPZXDFOCQFJ-QWHCGFSZSA-N 310.398 -0.169 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)c2cn(C)c(=O)cn2)CCC1 1063947911 HAVIBNWNGPUTKT-JTQLQIEISA-N 317.349 -0.291 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)CCn2cnnn2)CCC1 1064199898 LZQBIMKILNHZJE-SNVBAGLBSA-N 305.342 -0.622 30 20 DBED CC[C@@H]1CN(C(=O)C(N)=O)CC[C@H]1Nc1cnc(C#N)cn1 1064413583 XNEGFUQAISCZLG-MWLCHTKSSA-N 302.338 -0.127 30 20 DBED C=CC(C)(C)C(=O)NC[C@H]1CN(C(=O)Cn2ncnn2)CCO1 1065182439 JCRNBICSAHLOOW-NSHDSACASA-N 322.369 -0.771 30 20 DBED Cn1cncc1C(=O)N1CCO[C@@H](CNC(=O)C#CC2CC2)C1 1065315554 INKMKNXZKGOERN-ZDUSSCGKSA-N 316.361 -0.209 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(C(=O)[C@@]2(F)CCOC2)CCO1 1065501227 BUTZBTQDRDRZGV-CZUORRHYSA-N 324.352 -0.128 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)[C@@H](COC)OC)CCO1 1065591529 RZYBBOJCABLOHZ-QWHCGFSZSA-N 314.382 -0.042 30 20 DBED C#CCOCCC(=O)N1CCOC2(C1)CN(C(=O)[C@@H](C)C#N)C2 1068397310 FJHFLYXXEKONGR-ZDUSSCGKSA-N 319.361 -0.374 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CCC2(CN(C(=O)CC(N)=O)C2)O1 1068569254 RMKGGIWDRHSVLA-LBPRGKRZSA-N 321.377 -0.603 30 20 DBED C[C@H]1[C@H](Nc2nccnc2C#N)CCN1C(=O)CS(C)(=O)=O 1068775329 WFIHRJPHEJLYCL-VHSXEESVSA-N 323.378 -0.206 30 20 DBED C=CCN1CC[C@@H](N2C[C@H](n3ccnn3)[C@H](NC(C)=O)C2)C1=O 1069885470 JEHKOIHSXOLIDK-MCIONIFRSA-N 318.381 -0.574 30 20 DBED CN(C)C(=O)CC(=O)N[C@@H]1CCCN(C(=O)C#CC2CC2)C1 1070707778 IKVTVXMIGFMLNG-CYBMUJFWSA-N 305.378 -0.015 30 20 DBED N#CCN1C[C@H]2C[C@H]3CN(C(=O)C4=COCCO4)C[C@@]3(C1)O2 1070753189 MCFZACVSPZHFEV-YWPYICTPSA-N 305.334 -0.300 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)c2cc(C)nn2C)CC1 1070944925 PIJZBUBFFFMYFR-UHFFFAOYSA-N 317.393 -0.374 30 20 DBED N#CCN1CCNC(=O)CCN(C(=O)Cc2cc[nH]n2)CC1 1070949911 DNZRAZVHCAAZAU-UHFFFAOYSA-N 304.354 -0.874 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)[C@]2(C)CCOC2)CC1 1071011367 BSBJMNXADCPEBY-MRXNPFEDSA-N 307.394 -0.303 30 20 DBED C#CCN1CC[C@@]2(C1)CN(C(=O)CS(C)(=O)=O)C[C@H](C)O2 1071144969 XVPCNWXHGZXNLX-GXTWGEPZSA-N 314.407 -0.644 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1NC(=O)CC(=O)N(C)C 1072042578 MPOCKDHODPYHOD-YPMHNXCESA-N 305.378 -0.159 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(C(=O)CNC(C)=O)C[C@H]1C 1073816532 CPOUMWHHMACYEY-YPMHNXCESA-N 311.382 -0.322 30 20 DBED CC#CCN1CCO[C@@H]2CCN(C(=O)c3nnn(C)n3)C[C@H]21 1074317721 VAAPUIPPGXNBLN-VXGBXAGGSA-N 304.354 -0.851 30 20 DBED CCC(=O)NCC(=O)NCC1(O)CCN(C(=O)[C@H](C)C#N)CC1 1074704673 FZHPGRKTTYRODH-LLVKDONJSA-N 324.381 -0.858 30 20 DBED C=CCOCC(=O)NCC[C@H](C)NC(=O)[C@@H]1CCC(=O)N1C 1075922205 IQALFYWHPJGYCI-RYUDHWBXSA-N 311.382 -0.179 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H](C)CCNC(=O)[C@H](C)NC(N)=O 1076267514 WUZNYMBLWXIMPO-GARJFASQSA-N 312.370 -0.908 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H](C)CCNC(=O)Cn1nccn1 1076696070 FDDBRPRXFWFWOO-NWDGAFQWSA-N 307.354 -0.673 30 20 DBED C[C@@H](CCNC(=O)c1cccc(C(N)=O)n1)NC(=O)[C@@H](C)C#N 1077047153 XFRKTTDVGAOJJQ-UWVGGRQHSA-N 317.349 -0.035 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(C/C=C/Cl)C[C@H]1O 1077159333 ZTNFLQBHQASSJJ-ITZSHIHRSA-N 311.813 -0.002 30 20 DBED Cn1cc(-c2ccc(C(=O)N[C@@H]3CN(CC#N)C[C@H]3O)o2)cn1 1077972598 IRAGKJJYDUZMTQ-VXGBXAGGSA-N 315.333 -0.021 30 20 DBED C=CCCOCC(=O)N[C@@H](C)CCNC(=O)[C@H]1CNC(=O)N1 1078094424 SNPNZAFWSDVBFS-WDEREUQCSA-N 312.370 -0.729 30 20 DBED CCN(C(=O)C#CC(C)C)C1CN(C(=O)[C@H]2COC(=O)N2)C1 1079724688 YBGQNCORUDWUTJ-GFCCVEGCSA-N 307.350 -0.187 30 20 DBED CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)CCn2cnnn2)C1 1080414727 RLFBVICTFVKIKH-JTQLQIEISA-N 305.342 -0.718 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H](O)[C@H](CNC(=O)C=C(C)C)C1 1081224916 BVRKECYSVUWVKU-OLZOCXBDSA-N 321.377 -0.972 30 20 DBED C#CCCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CC(=O)NCC)C1 1081425083 NGCONVZHBILIOY-QWHCGFSZSA-N 323.393 -0.748 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](O)[C@H](CNC(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1081672178 UYOGUQKFNJDHPW-SSZWKKLZSA-N 320.389 -0.526 30 20 DBED C#CCN1C[C@@H](NC(=O)Cn2cc(C3CC3)nn2)[C@H](OC)C1 1081793076 QGYWOVFXURSOKN-ZIAGYGMSSA-N 303.366 -0.396 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1ncn(C(C)(C)C)n1 1082132656 MAFDOGIZXFJXHO-GHMZBOCLSA-N 306.370 -0.014 30 20 DBED C=CCN1C[C@@H](NC(=O)[C@H]2CCc3nn[nH]c3C2)[C@H](OC)C1 1082324326 KKXXYBNDXZVUTH-ZLKJLUDKSA-N 305.382 -0.089 30 20 DBED C=CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CN1CCOCC1 1083055136 YYIXAVZHDLYHJQ-LSDHHAIUSA-N 309.410 -0.194 30 20 DBED CC(=O)N1CCC[C@@H](C(=O)N2CCO[C@@H]3CN(CC#N)C[C@@H]32)C1 1083135790 RPRILKFCEYKFLS-QLFBSQMISA-N 320.393 -0.320 30 20 DBED C=CCn1cccc1C(=O)N[C@@H]1CN([C@@H]2CCNC2=O)C[C@@H]1O 1083525903 RJZJIWWUBYMTIM-BNOWGMLFSA-N 318.377 -0.663 30 20 DBED C=CCCN1CC[C@@H]2CN(C(=O)Cn3c(O)nnc3O)[C@@H]2C1 1084799657 VRPYPGCUNLMJSD-GHMZBOCLSA-N 307.354 -0.202 30 20 DBED C=CCN[C@@H]1CN(C(=O)[C@H]2COC(=O)N2)C[C@H]1c1cnn(C)c1 1086977086 CBQMZWNFAQAUCW-YNEHKIRRSA-N 319.365 -0.402 30 20 DBED N#CCN[C@@H]1CCCCCN(C(=O)CN2C(=O)CNC2=O)C1 1088423047 IJEOHMNCJIINND-LLVKDONJSA-N 307.354 -0.577 30 20 DBED COCC(=O)NC[C@H]1CN(c2nccnc2C#N)CCCO1 1089513408 VLOZUTLGEJWCDN-NSHDSACASA-N 305.338 -0.294 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2ncccc2NC(C)=O)[C@H](O)C1 1090317251 YQIDRNAMFKOBCW-TZMCWYRMSA-N 316.361 -0.162 30 20 DBED COC(=O)NCC(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1C 1090661719 URCFKWXXGAYITC-MWLCHTKSSA-N 318.337 -0.355 30 20 DBED C#CCN1CC[C@H](NC(=O)c2ccc3nnn(C)c3c2)[C@H](O)C1 1090760312 ORICXMWFMDYAFH-DZGCQCFKSA-N 313.361 -0.234 30 20 DBED Cc1ccnc2nc(C(=O)N[C@@H]3CCN(CC#N)C[C@H]3O)nn12 1090772899 CEZJDGSKJXNSAN-GHMZBOCLSA-N 315.337 -0.879 30 20 DBED C[C@@H]1[C@@H](NC(=O)CNC(N)=O)CCN1c1ccnc(C#N)n1 1091922423 DNVBPZWICOKAFZ-BDAKNGLRSA-N 303.326 -0.900 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)Cn3cncn3)c3nccn32)C1 1092410699 NAURDSQDFYAGBG-GFCCVEGCSA-N 311.349 -0.620 30 20 DBED CC(=O)NCC(=O)NC1[C@@H]2CN(c3nc(C)ccc3C#N)C[C@@H]12 1093215499 MVPLYHZTSKSBGZ-CHWSQXEVSA-N 313.361 -0.051 30 20 DBED CC(=O)N(C)CC(=O)NC1[C@H]2CN(c3ncccc3C#N)C[C@H]12 1093218387 UNNQXYMBTOTSSB-STQMWFEESA-N 313.361 -0.018 30 20 DBED COC(=O)NCC(=O)NC1[C@@H]2CN(c3ncccc3C#N)C[C@@H]12 1093240259 SYXFCKGWWKQUTL-GHMZBOCLSA-N 315.333 -0.140 30 20 DBED CSCC(=O)N1CCN(CC#N)[C@H]2CS(=O)(=O)C[C@H]21 1094605345 SBLMUEHGTMJTBV-VHSXEESVSA-N 303.409 -0.817 30 20 DBED Cc1cc(C(=O)N[C@H]2CC(=O)N(C3CN(CC#N)C3)C2)on1 1094700635 FQKUPYVFRIXFQQ-JTQLQIEISA-N 303.322 -0.479 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)Cc3cccnc3)CC2=O)C1 1094728416 WWMJKFHEMSIHNS-CQSZACIVSA-N 312.373 -0.341 30 20 DBED C=CCCN1CC(N2C[C@H](NC(=O)[C@@H]3CCNC3=O)CC2=O)C1 1094768227 RMXAXTYADAYPRX-DGCLKSJQSA-N 320.393 -0.900 30 20 DBED CN(CCCNC(=O)[C@@H]1COC(=O)N1)c1ccc(C#N)nn1 1095546810 JEGPVOLAPBFGJV-JTQLQIEISA-N 304.310 -0.601 30 20 DBED CN(CCCNC(=O)[C@H]1CCNC1=O)c1cnc(C#N)cn1 1095696753 LTMKYWAYQNZADE-LLVKDONJSA-N 302.338 -0.573 30 20 DBED C#CCCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN1CCC(=O)NC1=O 1096293370 IMDWYLIWCJSTQG-AGIUHOORSA-N 318.377 -0.327 30 20 DBED Cc1cc(C#N)nc(N2CC[C@H](NC(=O)CCNC(N)=O)C2)n1 1096377989 KBURKDWZTBZBJD-JTQLQIEISA-N 317.353 -0.590 30 20 DBED N#Cc1cncc(N2CCC[C@H](CNC(=O)CC(N)=O)C2)n1 1097289259 IVCOUFTYSRKTMH-SNVBAGLBSA-N 302.338 -0.444 30 20 DBED Cc1cc(C#N)nc(N[C@H](C)CNC(=O)[C@@H]2COC(=O)N2)n1 1097815428 BGCHSADMDKOREE-SCZZXKLOSA-N 304.310 -0.318 30 20 DBED C[C@@H](CNC(=O)C[C@H]1CCC(=O)N1)Nc1nccnc1C#N 1097950459 PDGMSEOMCYBAKL-VHSXEESVSA-N 302.338 -0.066 30 20 DBED C[C@@H](CNC(=O)C(=O)NCC(F)F)Nc1ccc(C#N)nn1 1098134779 FGNSHPBJSOMATO-ZETCQYMHSA-N 312.280 -0.354 30 20 DBED CCN1C[C@@H](C(=O)NC[C@H](C)N=c2cc[nH]c(C#N)n2)CC1=O 1098346563 RLKGQALHPBLVCM-QWRGUYRKSA-N 316.365 -0.445 30 20 DBED C#CCN(CCO)C1CCN(C(=O)CCn2ccnn2)CC1 1098356806 PTQKMPFRBNXDAX-UHFFFAOYSA-N 305.382 -0.413 30 20 DBED CC#CCN1CC[C@H](NC(=O)CNC(=O)c2ccoc2)[C@H](O)C1 1099844040 AUVRSPWERYLVJV-UONOGXRCSA-N 319.361 -0.416 30 20 DBED N#CCN1CC[C@H](NC(=O)CCNC(=O)C2CCC2)[C@H](O)C1 1100032482 WETADODPFPNEGN-QWHCGFSZSA-N 308.382 -0.632 30 20 DBED C=CCCOCC(=O)N[C@H]1CCN(Cc2cn(C)nn2)C[C@H]1O 1100139371 POSMZKGOCXDJQZ-UONOGXRCSA-N 323.397 -0.541 30 20 DBED CCc1nc(C#N)cc(N(C)CCNC(=O)C2(C(N)=O)CC2)n1 1100293575 AHDOSACKEJZAIB-UHFFFAOYSA-N 316.365 -0.271 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)Cc2ccc[nH]2)C1 1101009402 QOFKXEKRIYIRRD-UHFFFAOYSA-N 302.378 -0.209 30 20 DBED CCCN(CCNC(=O)[C@H]1CNC(=O)N1)c1cncc(C#N)n1 1101236334 UIJARRKHWWEXLO-LLVKDONJSA-N 317.353 -0.638 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)CCCN(C)C)C1 1102292611 VTZMQVXTYCBBEV-HUUCEWRRSA-N 322.453 -0.238 30 20 DBED CC(=O)N1CC(C(=O)N(C)CCN(C)c2cnc(C#N)cn2)C1 1105382044 WMDRUEZVUKPNLF-UHFFFAOYSA-N 316.365 -0.279 30 20 DBED CN(C)C(=O)CC(=O)N(C)CCN(C)c1ccnc(C#N)n1 1105575645 MHKWEFCBCIYAGL-UHFFFAOYSA-N 304.354 -0.279 30 20 DBED COCCCC(=O)NC[C@H](O)CNc1nc(C)cc(C#N)n1 1105722648 UBFBDWQRALITGT-LBPRGKRZSA-N 307.354 -0.028 30 20 DBED COCCOCCC(=O)NC[C@H](O)CN=c1cc[nH]cc1C#N 1105881325 XYVRDNWLVMKQQU-CYBMUJFWSA-N 322.365 -0.683 30 20 DBED Cc1cc(C(=O)NC[C@H](O)CN=c2cc[nH]c(C#N)n2)ccn1 1105928100 IOEKMUXIPZLWTJ-GFCCVEGCSA-N 312.333 -0.324 30 20 DBED COC[C@@H](C)CC(=O)NC[C@@H](O)CNc1cnc(C#N)cn1 1105941063 PWDRIKLPTBTTCH-JQWIXIFHSA-N 307.354 -0.090 30 20 DBED CCN(C)CCC(=O)NC[C@@H](O)CNc1ccc(C#N)nn1 1105944104 JLHHEROBUYMZNO-LBPRGKRZSA-N 306.370 -0.421 30 20 DBED C=CCNC(=O)[C@@H](C)NC[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1C 1105968594 OGOBVKPKZIRLBA-IJLUTSLNSA-N 310.398 -0.763 30 20 DBED CC(C)(C(N)=O)C(=O)NC[C@H](O)CNc1ncccc1C#N 1105997499 TVSQBOPWDMMSEV-SNVBAGLBSA-N 305.338 -0.646 30 20 DBED Cc1ccn(CC(=O)NC[C@@H](O)CNc2ccc(C#N)nn2)n1 1106109920 ALBYBYYRUIRFOT-LBPRGKRZSA-N 315.337 -0.558 30 20 DBED C[C@@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)[C@@H]1CCC(=O)N1 1106393720 XAMVPAXHDBYGHC-UWVGGRQHSA-N 302.338 -0.645 30 20 DBED CCN(CCNc1nccnc1C#N)C(=O)CCNC(N)=O 1106764141 KXMBPXXTDVPMLV-UHFFFAOYSA-N 305.342 -0.333 30 20 DBED Cc1cc(=NC/C=C/CNC(=O)CCNC(N)=O)c(C#N)c[nH]1 1107189799 OUXRBOAPGATJNS-NSCUHMNNSA-N 316.365 -0.174 30 20 DBED C[C@H](CC(N)=O)C(=O)NC/C=C\CNc1ccc(C#N)nn1 1107451495 LNSWHKOSPYKJAR-MXQLGCADSA-N 302.338 -0.056 30 20 DBED C#CCNC(=O)[C@H](C)N1CCO[C@@](C)(CNC(=O)C(C)C)C1 1107750606 WAWIXHGACGJQKE-BBRMVZONSA-N 309.410 -0.013 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)CCCCNC(N)=O)C1 1108058264 WZBZSJLSAFJKAU-OAHLLOKOSA-N 310.398 -0.335 30 20 DBED C[C@H](CNc1cncc(C#N)n1)NC(=O)c1nnc(O)nc1O 1108208689 NZPPRWWHSQHEIQ-ZCFIWIBFSA-N 316.281 -0.825 30 20 DBED C=C(C)CN1CC(N2C[C@@H](NC(=O)CN(C)C(C)=O)CC2=O)C1 1108511162 MDBZCGJAXZAWRU-ZDUSSCGKSA-N 322.409 -0.558 30 20 DBED C[C@@H](CNc1cnc(C#N)cn1)NC(=O)C(=O)NCC(F)F 1108599688 QECOHCXCXDMDCG-ZETCQYMHSA-N 312.280 -0.354 30 20 DBED CC(C)C#CC(=O)N1C[C@H]2C[C@H](NCC(=O)NC(N)=O)C[C@H]1C2 1108681428 PFWCSCJEMHNGJZ-RWMBFGLXSA-N 320.393 -0.190 30 20 DBED Cc1cc(C#N)nc(N(C)C[C@@H](C)NC(=O)[C@@H]2CCNC2=O)n1 1109205640 MYDBRNOVNPRIBE-ZYHUDNBSSA-N 316.365 -0.266 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C(C)(C)C(N)=O 1109429263 QUUZDFFQMUMVDP-AGIUHOORSA-N 307.394 -0.131 30 20 DBED N#Cc1cncc(NC2(CNC(=O)CNC(=O)C3CC3)CC2)n1 1110061837 PHESZQDMFKRRCG-UHFFFAOYSA-N 314.349 -0.065 30 20 DBED N#CCSCC(=O)NC[C@]1(O)CCN(c2ncccn2)C1 1111024576 TXXNDNDNRSQYOA-CYBMUJFWSA-N 307.379 -0.209 30 20 DBED C=CCNC(=O)CN1C[C@@H]2CCC[C@]2(NC(=O)c2cnon2)C1 1111906817 QQLKBONRBGRSQP-NHYWBVRUSA-N 319.365 -0.044 30 20 DBED C#Cc1cncc(C(=O)N2CCN(CC(=O)NC(N)=O)CC2)c1 1113330976 ATLLPLNBIQRFOZ-UHFFFAOYSA-N 315.333 -0.984 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)c3cc(C)[nH]n3)[C@H]2C1 1113948099 MDYMQTROEKDHGI-QWRGUYRKSA-N 303.366 -0.320 30 20 DBED CC(C)(CN1CCOCC1)C(=O)NC1[C@H]2CN(CC#N)C[C@H]12 1114464397 SJLWWZQBWCBJSV-STQMWFEESA-N 306.410 -0.085 30 20 DBED Cc1cc(C#N)nc(NC[C@H]2C[C@H](NC(=O)CNC(N)=O)C2)n1 1114736021 VCXMAMZUWMDMNV-MGCOHNPYSA-N 317.353 -0.368 30 20 DBED C#CCCN1C[C@H]2C(NC(=O)CNC(=O)c3cccnc3)[C@@H]2C1 1114869171 CZPVQKXREPBGSU-ZIAGYGMSSA-N 312.373 -0.119 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)[C@@]3(C)CCOC3)[C@@H]2C1 1115015723 JOIVVAYLRSNHDI-HSMVNMDESA-N 305.378 -0.791 30 20 DBED C[C@@H](CCCN=c1cc[nH]c(C#N)n1)NC(=O)[C@@H](C)CC(N)=O 1115047204 DQHRZIKUENHEIM-QWRGUYRKSA-N 318.381 -0.022 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)CCCCC(N)=O)[C@@H]2C1 1115085556 FCBAERSSTMEILO-VXGBXAGGSA-N 322.409 -0.619 30 20 DBED C=CCCCN1C[C@H]2[C@H](NC(=O)c3cn(CC(N)=O)nn3)[C@H]2C1 1115295641 CSCCBCBDVUAXEP-YABSGUDNSA-N 318.381 -0.610 30 20 DBED C=CCNC(=O)CNC(=O)C1CCC2(CC1)NC(=O)NC2=O 1116497350 GPMPXODCCNSGRU-UHFFFAOYSA-N 308.338 -0.827 30 20 DBED C=C(C)CN1CCC(NC(=O)C(=O)NCCn2cncn2)CC1 1117275075 QXXQFTGDYNFFEM-UHFFFAOYSA-N 320.397 -0.449 30 20 DBED CC#CCn1nnnc1N1CCN(C(C)(C)C(=O)OC)CC1 1120153971 JNSRDHPWYFGSQZ-UHFFFAOYSA-N 306.370 -0.230 30 20 DBED COC[C@@H](OC)C(=O)N(C)C[C@@H](C)N=c1cc[nH]c(C#N)n1 1120627505 VFBSNZDKDVPZLL-GHMZBOCLSA-N 307.354 -0.310 30 20 DBED CCc1nc(C#N)cc(N[C@H](CO)CNC(=O)[C@H]2CCCO2)n1 1121183015 HSBHVULEROXXPW-NWDGAFQWSA-N 319.365 -0.021 30 20 DBED N#Cc1nccnc1N[C@H](CO)CNC(=O)C[C@H]1COC(=O)C1 1121302589 FGLDZIIMOPVXJC-ZJUUUORDSA-N 319.321 -0.810 30 20 DBED C[C@@H](C(=O)NC[C@H](CO)Nc1ncccc1C#N)n1cncn1 1121345893 HPGNUNHAVAIZRB-CMPLNLGQSA-N 315.337 -0.305 30 20 DBED COc1cc(C(=O)NC[C@@H](CO)Nc2ccc(C#N)nn2)on1 1121465127 QIZUCHFWKWIXDD-VIFPVBQESA-N 318.293 -0.452 30 20 DBED C=CCn1c(CO)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1121599426 SVSJXHWXKNBJJI-UHFFFAOYSA-N 317.353 -0.457 30 20 DBED CC[C@H](NC(C)=O)C(=O)NC[C@@H](CO)Nc1nccnc1C#N 1122643427 CHCSXVCWCQQVKS-QWRGUYRKSA-N 320.353 -0.848 30 20 DBED CC[C@@H](NC(C)=O)C(=O)NC[C@@H](CO)Nc1cnc(C#N)cn1 1122645352 YLQHNCKVUMODRT-NWDGAFQWSA-N 320.353 -0.848 30 20 DBED CNC(=O)CC(=O)N1C[C@@H](N=c2cc[nH]cc2C#N)C[C@H]1C 1123202847 LDSHGXUTMMXFEI-PWSUYJOCSA-N 301.350 -0.087 30 20 DBED C=C[C@](C)(O)CC(=O)N(C)C[C@@H](O)CN=c1cc[nH]c(C#N)n1 1124266651 KDLYEBYNTRQJGF-NHYWBVRUSA-N 319.365 -0.672 30 20 DBED C=CCOCC(=O)NCCNCC(=O)N(C)CC(F)(F)F 1124773452 SOSWJHLLUNCIJK-UHFFFAOYSA-N 311.304 -0.085 30 20 DBED COCCN(CCNC(=O)c1cn[nH]c1)c1cnc(C#N)cn1 1126224644 LCMRXVDYJDYQBI-UHFFFAOYSA-N 315.337 -0.046 30 20 DBED C#CCNC[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](C)OC)n1 1130187963 SDYNBUAZQWRWQZ-SRVKXCTJSA-N 321.381 -0.449 30 20 DBED C=CC(C)(C)C(=O)NCc1nc([C@H]2COCCN2CCO)n[nH]1 1130852436 DUMUHGCVHZXFHV-LLVKDONJSA-N 323.397 -0.001 30 20 DBED C=CCN[C@@H]1CN(C(=O)CN(C)C(C)=O)C[C@H]1c1cncn1C 1130915187 BVDOHAKCLVLHQQ-ZIAGYGMSSA-N 319.409 -0.032 30 20 DBED C#CCNC(=O)CN1CC[C@]2(C1)CN(C(=O)CC)C[C@H](C)O2 1131621107 PYIULLQWSUATHX-BBRMVZONSA-N 307.394 -0.162 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@@H](C1CC1)N1CCCC1 1131790235 JHMRZGUFPIWOGI-DZGCQCFKSA-N 320.437 -0.296 30 20 DBED C[C@H]1CC[C@@H](NC(=O)c2cn(C)cn2)CN1CC(=O)NCC#N 1131967537 FGUBCSNAENOERG-NWDGAFQWSA-N 318.381 -0.357 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)Cn2ccnc2)CC[C@@H]1C 1132532301 ASICKMHRJLHKJL-KBPBESRZSA-N 317.393 -0.398 30 20 DBED C=CCNC(=O)CNC[C@H]1CN(C(=O)CNC(C)=O)CC[C@@H]1C 1132599705 UXJGJMKGEMZJTA-JSGCOSHPSA-N 324.425 -0.501 30 20 DBED C#CCNC[C@@H]1CN(C(=O)CN2CCN(C)C(=O)C2)CC[C@@H]1C 1132931509 AQOUUKSVLRMXPQ-LSDHHAIUSA-N 320.437 -0.532 30 20 DBED C=CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)CNC(=O)OC 1133790085 NWFYLWNGNOGBOG-WDEREUQCSA-N 314.386 -0.483 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)c1cnc2cccnn12 1134938880 KQMATPMSMHWJLH-NSHDSACASA-N 316.365 -0.261 30 20 DBED N#CCNC(=O)CNCCNC(=O)[C@H]1CCC[C@H]2CCCN21 1135093142 ITYIUGGQCGIYBG-QWHCGFSZSA-N 307.398 -0.651 30 20 DBED C=CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)C1(C(N)=O)CC1 1135348611 IERQUQJRKMIRDK-WDEREUQCSA-N 310.398 -0.573 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)Cn1nccc1C 1135572069 QUDBGERDEWLNTH-CHWSQXEVSA-N 319.409 -0.186 30 20 DBED C#CCO[C@H](C)C(=O)N1CC2(CCN([C@@H](CC)C(N)=O)C2)C1 1147541863 ZSMGGGFGLVJLBR-OLZOCXBDSA-N 307.394 -0.177 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1ccc2oc(O)nc2n1 1147706242 UEGGRBLJYWDKLY-UHFFFAOYSA-N 319.321 -0.450 30 20 DBED COCC#CCN1CCC2(C1)CN(C(=O)[C@@H](COC)OC)C2 1148254166 BMQZAYYTZODKHN-CQSZACIVSA-N 310.394 -0.168 30 20 DBED C=CCCOCC(=O)N1CC2(CCN(CC(=O)NCC#N)C2)C1 1148893642 RHAWRWFNNDNUHA-UHFFFAOYSA-N 320.393 -0.247 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)c2cnn(C)c2OC)C1=O 1149202292 NOLVTNGRPIABAH-GFCCVEGCSA-N 321.381 -0.465 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CN(Cc2cnn(C)n2)CCCO1 1149405390 BZXYCQODLMEPPN-YPMHNXCESA-N 306.370 -0.318 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CN(Cc2nnn(C)n2)CCCO1 1149409522 UWWOURPZRAQNIM-QWRGUYRKSA-N 307.358 -0.923 30 20 DBED CNS(=O)(=O)CC(=O)NCCNCC#Cc1ccccc1 1151373702 UGVCQKGOBXKDAP-UHFFFAOYSA-N 309.391 -0.707 30 20 DBED C=CCNC(=O)CNCCNC(=O)CNC(=O)c1ccsc1 1151471502 HCJQVNSGHUHFGA-UHFFFAOYSA-N 324.406 -0.514 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)c1nn(C)cc1C 1153288318 WYNDLMAVXUODQE-GFCCVEGCSA-N 320.397 -0.192 30 20 DBED C#CCN(CC)[C@H](C)CNC(=O)CCCN1C(=O)CNC1=O 1156814342 QGRMCPYXXOSPAD-GFCCVEGCSA-N 308.382 -0.222 30 20 DBED CCNC(=O)NC(=O)[C@@H](C)NCCCNC(=O)C#CC(C)C 1157633269 STXILFQNPQRYMC-GFCCVEGCSA-N 310.398 -0.024 30 20 DBED COCC1(CNC(=O)[C@@H]2CN(C)CCO2)CCN(CC#N)CC1 1162187971 LTFISQIABQCMDI-AWEZNQCLSA-N 324.425 -0.315 30 20 DBED CC#CCN1CCC(CNC(=O)CNC(=O)NC)(COC)CC1 1162295729 IUZXRVBOSLCTIB-UHFFFAOYSA-N 324.425 -0.217 30 20 DBED CN(CC(=O)NCC#N)[C@@H]1CCN(C(=O)C(=O)C(C)(C)C)C1 1189417958 GZXIMILTGCAZJI-LLVKDONJSA-N 308.382 -0.226 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](N(C)Cc2ncccn2)C1 1189760367 KDFRXJAARCJWMU-CYBMUJFWSA-N 315.377 -0.351 30 20 DBED C=CCNC(=O)[C@H](C)N(C)[C@@H]1CCN(C(=O)c2cnnn2C)C1 1189932464 GSAZWEPTRVEODQ-NWDGAFQWSA-N 320.397 -0.348 30 20 DBED CC(C)C#CC(=O)N1CC[C@H](N(C)[C@H]2CCC(=O)NC2=O)C1 1190054851 UGYONGYLQGUFFF-STQMWFEESA-N 305.378 -0.016 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](N(C)[C@H](C)c2nnnn2C)C1 1190129282 SIAYNFONOOXVSP-CHWSQXEVSA-N 320.397 -0.156 30 20 DBED COc1ccnc(CN2C[C@@H](O)[C@H](NC(=O)[C@@H](C)C#N)C2)c1 1191853925 HGTAYUNCHYGHMD-ZLKJLUDKSA-N 304.350 -0.089 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(Cc2cc(C)on2)C[C@H]1O 1192523826 AIDRKJBKKRGDKW-UMVBOHGHSA-N 309.366 -0.029 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(CCOC(C)C)C[C@H]1O 1192546262 FLIXSXFSHDKDJR-NFAWXSAZSA-N 300.399 -0.100 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2ccnc(OCCOC)c2)C1 1192899193 KSRZTFHGCQQWTN-ZIAGYGMSSA-N 319.361 -0.485 30 20 DBED CCc1nn(C)cc1C(=O)N[C@@H]1CN(CC#CCOC)C[C@H]1O 1193978117 LXSLKICWABBXNX-HUUCEWRRSA-N 320.393 -0.593 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)CCNC(=O)C(C)(C)C)C1 1195161717 ABXGBBXEMNRTTI-CHWSQXEVSA-N 309.410 -0.277 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2csc(C)c2)C1 1196912248 ZJVBEARTWCRNNY-CHWSQXEVSA-N 321.402 -0.419 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@@H]1CN(C(=O)C(C)C)CCCO1 1199875326 FBKIWLHYRIUGSF-ZIAGYGMSSA-N 309.410 -0.013 30 20 DBED C=CCNC[C@@H]1CN(C(=O)c2cnc(O)n(C)c2=O)CCCO1 1201121076 SLICARGJRXQCBA-LLVKDONJSA-N 322.365 -0.507 30 20 DBED N#CCNC[C@@H]1CN(C(=O)CCN2CCOCC2)CCCO1 1201640221 WEKPARXHVUFEPB-CQSZACIVSA-N 310.398 -0.561 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)[C@@H]2CCN(C)C2=O)CC1 1202067963 KNBLQCVPKGGWKL-CYBMUJFWSA-N 322.409 -0.653 30 20 DBED COCC#CCNC1CCN(C(=O)[C@]2(C)CCNC2=O)CC1 1202479205 KRCAQTYKNOXPLC-MRXNPFEDSA-N 307.394 -0.257 30 20 DBED N#CCNC(=O)CNC1CCN(C(=O)c2ccc(O)nc2)CC1 1203567875 PHGNPNBTEGMICA-UHFFFAOYSA-N 317.349 -0.379 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@H]2CC[C@H]1N(C(=O)c1cn[nH]c1)C2 1204004233 XXKKGEVUHLJXDL-KWCYVHTRSA-N 315.377 -0.258 30 20 DBED C#CCNCC1CCN(C(=O)CCCn2c(O)nnc2O)CC1 1205581846 OQABGTCUIXFUAA-UHFFFAOYSA-N 321.381 -0.069 30 20 DBED C=CCNCC1CCN(C(=O)[C@@H](C)NS(C)(=O)=O)CC1 1206411887 WBTUSZKRWCUIPE-LLVKDONJSA-N 303.428 -0.062 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2nnnn2C)C[C@H]1C 1211424437 ANPKRDYZDSKZTO-GRYCIOLGSA-N 308.386 -0.262 30 20 DBED C#CCOCCC(=O)N1C[C@@H](NCc2cnnn2C)[C@H](C)C1 1214608860 NSAVBYSDJZGBKU-TZMCWYRMSA-N 305.382 -0.209 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H]2[C@@H](C1)OCCN2C(=O)C(F)F 1217166001 NPKQJMUQGADRGX-GARJFASQSA-N 317.336 -0.146 30 20 DBED C#CCOCCC(=O)N1CCO[C@@H]2CN([C@H](C)COC)C[C@@H]21 1217888159 XTQQVHUQUQFCNS-QLFBSQMISA-N 310.394 -0.027 30 20 DBED C=CCCOCC(=O)N1CCO[C@@H]2CN(CC(=O)NC)C[C@@H]21 1219058590 AWBFADJXWFTZIZ-QWHCGFSZSA-N 311.382 -0.763 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)C#CC(C)(C)C)C1 1219589237 UUZSKNJAPZIXDO-MJBXVCDLSA-N 319.405 -0.665 30 20 DBED C[C@@H](C(=O)NC(C)(C)C)N1C[C@H](O)[C@H](NC(=O)C#CC2CC2)C1 1219596319 OFZWIAQRVRIYBG-YUTCNCBUSA-N 321.421 -0.136 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2cc(C)co2)C1 1220176503 QIDXXOMLRFRIIO-NEPJUHHUSA-N 307.350 -0.335 30 20 DBED C=C[C@@H](CC)CC(=O)N[C@@H]1CN(Cc2nnnn2C)C[C@@H]1O 1220203673 NFVNGWNSSSFGQE-TUAOUCFPSA-N 308.386 -0.526 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)c2cn(CC=C)nn2)C1 1220504868 WIBWSTYJBNTQNR-OCCSQVGLSA-N 321.381 -0.558 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@@H](C(C)C)N2CCCC2=O)C1 1221164389 GGKNLLYNJOTTHT-IJEWVQPXSA-N 321.421 -0.182 30 20 DBED COCC#CCN1CC[C@@H]2CN(C(=O)c3nnn(C)c3C)[C@@H]2C1 1221459941 GCUYBQWJGFWCEK-ZIAGYGMSSA-N 317.393 -0.080 30 20 DBED C=CCO[C@@H](C)C(=O)N1C[C@H]2CCN(CC(=O)NCC#N)C[C@H]21 1222069092 HOMQOLYLKDTGET-BFHYXJOUSA-N 320.393 -0.250 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)[C@H]2CN(C)CCO2)CC1 1226723505 UIHWZCZNWOFTSB-CQSZACIVSA-N 324.425 -0.800 30 20 DBED C#CCN1CCS(=O)(=O)[C@H](CCNC(=O)CCOCC)C1 1230436425 ORJRAALFIHMXQU-CYBMUJFWSA-N 316.423 -0.349 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@H]1CN(C)C(=O)Cn1cccn1 1230763457 YLZSYATYRCLYSS-KBPBESRZSA-N 317.393 -0.446 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)CCCNC(=O)c1cncnc1C 1234433707 WDKQBTCTVMOCPI-CYBMUJFWSA-N 317.393 -0.025 30 20 DBED N#Cc1cccnc1NCCNC(=O)C(=O)Nc1cnns1 1320747535 SVLFPGWWGSUKCP-UHFFFAOYSA-N 317.334 -0.028 30 20 DBED N#CCCNC(=O)COC(=O)c1cnc2sccn2c1=O 1321565694 FCKATCCQJVLLBO-UHFFFAOYSA-N 306.303 -0.057 30 20 DBED C=C[C@@H](COC)NS(=O)(=O)c1ccc(S(C)(=O)=O)nc1 1322471338 LOVSKHGOJKNSKH-VIFPVBQESA-N 320.392 -0.036 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN(C)C(=O)[C@H]1C 1324401827 AQMMHAXNNBPHFB-UPJWGTAASA-N 323.393 -0.227 30 20 DBED C[C@@H](NC(=O)C(=O)N1CC[C@](O)(CC#N)C1)C1=CCN(C)CC1 1326436435 BWKOWLSFMKCPNA-MLGOLLRUSA-N 320.393 -0.370 30 20 DBED C=CCS(=O)(=O)CCNC(=O)NC[C@@H]1CCCS1(=O)=O 1328106839 VNVVNGKDQFIPFV-JTQLQIEISA-N 324.424 -0.536 30 20 DBED C=CCOCCNC(=O)C(=O)NCCN1CCOCC1(C)C 1330762194 URHDZVOKNWIWTG-UHFFFAOYSA-N 313.398 -0.468 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)NCC2(N)CCCC2)CCN1C1CC1 1330863751 YFQYIMIAXZIMGL-CYBMUJFWSA-N 319.409 -0.427 30 20 DBED C#CCCn1nnnc1N1CCC(CNS(C)(=O)=O)CC1 1335990348 XRGYXECDRITLNE-UHFFFAOYSA-N 312.399 -0.538 30 20 DBED CN1CCN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)CC1(C)C 1336523839 YFNMYYARMKFBCR-HNNXBMFYSA-N 308.382 -0.584 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)N[C@H]2CCN(C3CC3)C2)C1 1345857297 YNZCMQZRTGOCKR-NHYWBVRUSA-N 306.366 -0.784 30 20 DBED C=CCOCCNC(=O)C(=O)NCc1ccc(NC(C)=O)nc1 1347343875 ADWCSOOQSMNFND-UHFFFAOYSA-N 320.349 -0.025 30 20 DBED N#Cc1cn(CCC(=O)N[C@H](CCO)C2CC2)c(=O)nc1O 1362187987 CAUHIAXJMNNSCR-LLVKDONJSA-N 306.322 -0.512 30 20 DBED COC(=O)C1(C#N)CCN(C(=O)Cn2cc([C@@H](C)O)nn2)CC1 1362444719 OZXAUPWUELKELI-SNVBAGLBSA-N 321.337 -0.363 30 20 DBED N#Cc1ccc(S(=O)(=O)N[C@@H]2CCc3nnnn3CC2)cn1 1364868566 XSPHEUXSOQHVNN-SECBINFHSA-N 319.350 -0.377 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@H](NCc2cc(=O)n3nccc3[nH]2)C1 1370448548 QIQYZUWVDIGRSX-DCAQKATOSA-N 314.349 -0.081 30 20 DBED CC(=O)NCC(=O)NC[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 1373137702 JPNLYQMDVRGSIN-NSHDSACASA-N 317.349 -0.399 30 20 DBED C[C@H](CCNC(=O)c1cn(C)nn1)NC(=O)c1c[nH]c(C#N)c1 1386685099 RCOSHXHTCQJZRI-SECBINFHSA-N 315.337 -0.047 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1C[C@@H](NCC(=O)NC2CCOCC2)C1 1388669260 CPIHMURFUWTNAA-BZPMIXESSA-N 322.409 -0.074 30 20 DBED COCC(=O)NCCC(=O)N(C)C[C@H]1CCN1C(=O)[C@H](C)C#N 1396479256 PQUOWIAJFDRPDO-VXGBXAGGSA-N 324.381 -0.642 30 20 DBED CC(=O)N(C)CC(=O)NC[C@@H](O)CNCc1ccc(C#N)cc1 1401488211 JTBVXQMJBMANFS-HNNXBMFYSA-N 318.377 -0.397 30 20 DBED C[C@H](CC(N)=O)C(=O)NC[C@@H](O)CNCc1ccccc1C#N 1401546642 BPOZBOPSXISQBM-RISCZKNCSA-N 318.377 -0.364 30 20 DBED CCN(CCC#N)C(=O)CN1CC(NC(=O)[C@]2(C)CCOC2)C1 1404816774 AFGQFPVOEKHCTF-MRXNPFEDSA-N 322.409 -0.024 30 20 DBED N#Cc1ncn(CCNC(=O)NC[C@H]2CCCN2CCCO)n1 1413817854 MWFALGVNVBNKBS-GFCCVEGCSA-N 321.385 -0.704 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](C)CNC(=O)CCCS(C)(=O)=O 1431727819 AVJLHPLEKBPZAQ-VHSXEESVSA-N 303.384 -0.408 30 20 DBED COC(=O)[C@H]1CCCCN1C(=O)Cn1cc(C#N)c(O)nc1=O 1433771509 FXYVXFKISIRYSK-SNVBAGLBSA-N 320.305 -0.625 30 20 DBED CCC[C@@]1(CO)CCCN1C(=O)Cn1cc(C#N)c(O)nc1=O 1433970445 VBTQWDLASPXZRK-HNNXBMFYSA-N 320.349 -0.026 30 20 DBED C=C(Cl)CN1CC(O)(CNC(=O)[C@@H]2CN(C)CCO2)C1 1440039681 AHJAQYKHRGSEDK-NSHDSACASA-N 303.790 -0.768 30 20 DBED C[C@@H](CNCc1nnnn1C)N(C)C(=O)c1cc(C#N)c[nH]1 1444610461 QPIIOKYIDLNREQ-VIFPVBQESA-N 302.342 -0.340 30 20 DBED CCN(C(=O)Cc1nc[nH]n1)[C@H]1CCN(C(=O)[C@H](C)C#N)C1 1450799995 RVCAWBBNXOLVDZ-MNOVXSKESA-N 304.354 -0.044 30 20 DBED CCS(=O)(=O)CC(=O)N(C)C[C@H]1CCN1C(=O)[C@@H](C)C#N 1452866194 ZVQVLSJAAALLIV-WDEREUQCSA-N 315.395 -0.360 30 20 DBED C=C(Cl)CNC[C@@H](O)CN(C)C(=O)c1ccc2nnnn2c1 1486289098 HXIJWRDEDDXPRS-LLVKDONJSA-N 324.772 -0.101 30 20 DBED C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)CNC(=O)c1cnn[nH]1 1500158433 OZTFCAYASXLOKJ-QMMMGPOBSA-N 301.310 -0.200 30 20 DBED C[C@@H](CNC(=O)COCc1nncn1C)N(C)C(=O)[C@H](C)C#N 1509062651 GVTWQHDTTHASRW-MNOVXSKESA-N 322.369 -0.546 30 20 DBED CCN(C(=O)[C@@H](C)C#N)[C@H](C)CNC(=O)CN1CCCNC1=O 1512442753 NTPSDHURKCSWPQ-NWDGAFQWSA-N 323.397 -0.085 30 20 DBED COCC(=O)NCCC(=O)NC[C@@H]1CCCN1C(=O)[C@@H](C)C#N 1529312684 ROUXOWKXSWKECG-RYUDHWBXSA-N 324.381 -0.594 30 20 DBED C[C@@H]1CN(S(=O)(=O)c2cccnc2C#N)C[C@@H](C(=O)O)O1 1571111254 HZXOZUVFJCYGBP-SCZZXKLOSA-N 311.319 -0.184 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CCN(c2ccc(-c3nn[nH]n3)nn2)C1 1573585843 XPFDQUNOOGEZMW-DTWKUNHWSA-N 313.325 -0.489 30 20 DBED C[C@@H](Nc1cnc(C#N)c(-c2nn[nH]n2)n1)[C@H]1CN(C)CCO1 1575445349 QLQRPSGYPRYZFU-PSASIEDQSA-N 315.341 -0.341 30 20 DBED C#CCN(CC(=O)O)C(=O)NCc1cn(C(C)C)c(=O)nc1O 1588409389 WTMOXQBCERHEIG-UHFFFAOYSA-N 322.321 -0.241 30 20 DBED C#CCOCCN(C)C(=O)C1(C(=O)O)CCS(=O)(=O)CC1 1588431334 NKYYSTDLSLCPCW-UHFFFAOYSA-N 317.363 -0.626 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H]1CCN(c2ncc(C(=O)O)cn2)C1 1588490455 NGIXYICMGPPFCY-PWSUYJOCSA-N 318.333 -0.092 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)[C@@H]3C[C@H]3C(=O)O)C2)cn1 1588510900 OCQZCLHHLKPKSY-CHWSQXEVSA-N 313.313 -0.276 30 20 DBED C=CCOC[C@H](NS(=O)(=O)c1c[nH]nc1Cl)C(=O)O 1588866550 OQMDVHMWXIAVQE-LURJTMIESA-N 309.731 -0.003 30 20 DBED C[C@]1(C(=O)O)CCCN1C(=O)Cn1cc(C#N)c(O)nc1=O 1589184687 AAUOTGBFIRNROI-CYBMUJFWSA-N 306.278 -0.714 30 20 DBED C[C@@H](CNC(=O)[C@@H](C)C#N)Nc1ccc(-c2nn[nH]n2)nn1 1589850004 YDTCZVQTEZDQGO-YUMQZZPRSA-N 301.314 -0.267 30 20 DBED N#Cc1ncc(NC[C@H](O)C(F)(F)F)nc1-c1nn[nH]n1 1592710615 RCBFJOHATVNTBQ-YFKPBYRVSA-N 300.204 -0.137 30 20 DBED COc1cccc(C(=O)NCC(=O)N(CC#N)CC(=O)O)c1 1599642972 HTSWFYKAUHWVAA-UHFFFAOYSA-N 305.290 -0.138 30 20 DBED N#CCN(CCC(=O)O)C(=O)CS[C@@H]1CCS(=O)(=O)C1 1601071185 VBTRRPOPBOKIAG-SECBINFHSA-N 320.392 -0.266 30 20 DBED C=CCn1cc(C(=O)N2C[C@@H](C(=O)OC)CC[C@H]2C(=O)O)nn1 1602937603 BUPLHRFHVRYOAR-ONGXEEELSA-N 322.321 -0.058 30 20 DBED CC(C)(CNC(=O)CCn1cc(C#N)c(O)nc1=O)CC(=O)O 1603625422 ODUGBCNTAKQUFT-UHFFFAOYSA-N 322.321 -0.172 30 20 DBED N#Cc1ccc(C(=O)N(CCN2CCOCC2)CC(=O)O)[nH]1 1610626184 DVQYHKXKIWPXNI-UHFFFAOYSA-N 306.322 -0.255 30 20 DBED Cn1c(=O)ccn(CC(=O)N2CCCC[C@H]2CNCC#N)c1=O 1714127195 PQDTWFPKEAMWQB-LBPRGKRZSA-N 319.365 -0.959 30 20 DBED C#CCNC(=O)CN(C)CCNC(=O)c1cnc(O)cc1OC 1753064350 NLGJEJAKLOFNDG-UHFFFAOYSA-N 320.349 -0.793 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H]1CCCN1CC(=O)NC1CC1 1753103975 WMZYSNCZBGDWNU-GXTWGEPZSA-N 307.394 -0.116 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC[C@H]1CNC(=O)c1cn(C)nn1 1753104750 IMLNPMYVAYKLQF-RYUDHWBXSA-N 318.381 -0.853 30 20 DBED C=CCOCC(=O)NCC1CN(CC(=O)NCC(F)(F)F)C1 1753397984 XEPZCIVCXAZOQO-UHFFFAOYSA-N 323.315 -0.085 30 20 DBED C=C[C@](C)(O)CC(=O)N1C[C@@H]2C[C@H]1CN2CCn1cncn1 1753419891 IKOHOHHYKTYAKD-YDHLFZDLSA-N 305.382 -0.110 30 20 DBED C#CCNC(=O)CN[C@H](C)[C@@H]1CCCN(C(=O)c2ncc[nH]2)C1 1753794130 KMDOFPVPVRUELU-CHWSQXEVSA-N 317.393 -0.011 30 20 DBED C=CCNC(=O)[C@H](C)NC[C@H](O)CNC(=O)c1cccc(C)n1 1753904728 ACYAJHUGAUGDED-STQMWFEESA-N 320.393 -0.239 30 20 DBED C#CCNC[C@@H](O)CNC(=O)C1(S(C)(=O)=O)CCCC1 1753930903 MZJWVCYCYFQEQN-LLVKDONJSA-N 302.396 -0.956 30 20 DBED CCN(CCNCC(=O)NCC#N)C(=O)[C@H]1CCN(C)[C@@H](C)C1 1754070941 GEFYKMJFMWRJGO-KBPBESRZSA-N 323.441 -0.205 30 20 DBED C=CCN1CC[C@H](NC/C=C/CNC(=O)c2[nH]nnc2C)C1=O 1754165420 AFJKOFXRXKZCMC-ITKZLYELSA-N 318.381 -0.224 30 20 DBED N#CCNC(=O)CNC[C@@H](NC(=O)C[C@@H]1COC(=O)C1)C1CC1 1754441189 RIMGDRVYTUZQGD-CMPLNLGQSA-N 322.365 -0.936 30 20 DBED C=CCNC(=O)CN1CC[C@H]1CNC(=O)CCc1ncccn1 1754496527 GJVQLDGQFCBTDJ-ZDUSSCGKSA-N 317.393 -0.098 30 20 DBED C#CCN1CC(O)(CNC(=O)c2ncoc2-c2ccon2)C1 1754778285 VKCBKTFLSIGFKB-UHFFFAOYSA-N 302.290 -0.261 30 20 DBED COCC#CCN1CC(O)(CNC(=O)CCN2CCCCC2)C1 1754779845 SJQIEFUUJOAAEU-UHFFFAOYSA-N 323.437 -0.325 30 20 DBED C#CCNC[C@@H]1CN(C(=O)CCn2ncn(C)c2=O)C[C@@H]1C 1754816287 CMHIRGJFSAGXKO-QWHCGFSZSA-N 305.382 -0.711 30 20 DBED C=CCNC(=O)CN1CCC[C@](CO)(NC(=O)CCOC)C1 1754851677 REAKAEDRXZEFSR-HNNXBMFYSA-N 313.398 -0.732 30 20 DBED C[C@]1(CCC(=O)N[C@]2(CO)CCCN(CC#N)C2)CCC(=O)N1 1754863486 WMZKGMJWRJGQHS-HZPDHXFCSA-N 322.409 -0.098 30 20 DBED CC#CCNCCN(CCO)C(=O)[C@@]1(C)CCCS1(=O)=O 1754893637 BOFYZJKSEQRJNN-CQSZACIVSA-N 316.423 -0.613 30 20 DBED Cc1cc(C(=O)NC[C@H]2COCCN2CC(=O)NCC#N)no1 1754963846 PBGXLYPKEHYUCY-NSHDSACASA-N 321.337 -0.947 30 20 DBED COCC#CCN1CCOC[C@H]1CNC(=O)c1cn(C)nc1C 1754965502 JIFMOAKUSVBUSZ-CQSZACIVSA-N 320.393 -0.191 30 20 DBED C=CCNC(=O)CN1CCOC[C@@H]1CNC(=O)C1=COCCC1 1754966953 YEAAEDKOSKEZIQ-AWEZNQCLSA-N 323.393 -0.200 30 20 DBED Cn1cnc(C(=O)N[C@@H]2CCCN(CC(=O)NCC#N)CC2)n1 1755024468 ZDLTUYYQPUTNCR-LLVKDONJSA-N 319.369 -0.961 30 20 DBED COCC#CCNCC1(NC(=O)[C@H]2CCC(=O)N2)CCOCC1 1755093787 AXAHXECRDCFOLC-CYBMUJFWSA-N 323.393 -0.830 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)c2cnn[nH]2)C(C)(C)C1 1755141296 MGFLYRDSUYJZKU-LBPRGKRZSA-N 318.381 -0.616 30 20 DBED CCC(=O)NCC(=O)N1CCOC2(CCN(CC#N)CC2)C1 1755171480 WHJSQXYIVZOBJU-UHFFFAOYSA-N 308.382 -0.270 30 20 DBED C=CC(C)(C)C(=O)N(C)C[C@H](O)CN(C)Cc1nnnn1C 1755804629 OKSPXLUUEOXRNW-LLVKDONJSA-N 310.402 -0.327 30 20 DBED COCC#CCN(C)C[C@H](O)CN(C)C(=O)[C@@]1(F)CCOC1 1755805651 YQOMAQXOQJDYAP-DZGCQCFKSA-N 316.373 -0.484 30 20 DBED C#CCNC[C@H](NC(=O)CS(=O)(=O)N(C)C)C(C)(C)C 1755837468 RFLOYRADAOIQKU-NSHDSACASA-N 303.428 -0.369 30 20 DBED C=CCCOCC(=O)N[C@@H]1CCN(C(=O)c2nnn(C)n2)[C@@H]1C 1756570382 NXHXWXBGTBTNIZ-GHMZBOCLSA-N 322.369 -0.478 30 20 DBED C=CC(C)(C)C(=O)NC[C@H](O)CN(C)C(=O)CNC(=O)OC 1756654602 XTYOCBYJQCSROR-JTQLQIEISA-N 315.370 -0.510 30 20 DBED C[C@H]1CCCN1CC(=O)NC[C@@H](O)CN(C)C(=O)C#CC1CC1 1756662150 ITRPADFFEOVFQC-DZGCQCFKSA-N 321.421 -0.180 30 20 DBED C=CCCCC(=O)N[C@@H]1CN(C(=O)Cc2cnc[nH]2)C[C@H]1O 1757029781 AXAOYSFRZYIMEQ-CHWSQXEVSA-N 306.366 -0.004 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccnn1)CCO2 1783054224 HUNKPWMUBRZZBI-OAHLLOKOSA-N 300.318 -0.447 30 20 DBED CC(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC#N 1795083851 TZFSPPMDEBSKBR-ZKCLLBTKSA-N 322.365 -0.986 30 20 DBED CNCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC#N 1795419001 YBQVZJGQGNQAQF-YWVIFJGQSA-N 322.409 -0.121 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#C 1800450866 QHJCIZMWWDYGSU-XPCVCDNBSA-N 304.346 -0.753 30 20 DBED N#CCCC(=O)N1CCCC12CN(C(=O)[C@@H](N)CCC(N)=O)C2 1842813039 YNRWOZJPSZMKFA-NSHDSACASA-N 321.381 -0.914 30 20 DBED C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)C(N)=O)cc1 17817242 NPZHMZSQGFQLOX-VIFPVBQESA-N 311.363 -0.246 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(C[C@@H](C#N)CCC#N)c1=O 30531607 MNAXLHIYYAKMGO-GFCCVEGCSA-N 315.333 -0.013 30 20 DBED CCN(CC)[C@H]1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)C1 78576818 GSCMNTLYLUIKRF-NSHDSACASA-N 305.382 -0.124 30 20 DBED C=CCNC(=O)c1ccc(NC(=O)CN2CCNCC2=O)cc1 236667582 GMAALJXEMPOVOI-UHFFFAOYSA-N 316.361 -0.027 30 20 DBED CS(=O)(=O)N1CCC(C/N=C(\N)NC[C@H]2CCCO2)CC1 261646632 ABXHDJADJCAGNC-GFCCVEGCSA-N 318.443 -0.259 30 20 DBED N#Cc1ncn(CCNC(=O)[C@H]2COCCN2CC2CCC2)n1 286975438 SSTVQANHJGGULB-CYBMUJFWSA-N 318.381 -0.233 30 20 DBED C=CCCN(C)C(=O)C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 297880278 PWNVTTAATXHXDP-CYBMUJFWSA-N 323.393 -0.129 30 20 DBED CC(C)N1CC[C@@H](Nc2c(C#N)c(=O)n(C)c(=O)n2C)C1=O 301252108 CKKKZZOUXPRJSR-SNVBAGLBSA-N 305.338 -0.623 30 20 DBED C#CCN(C)CCCNS(=O)(=O)N(C)CCC(=O)OC 328292550 RYBZPGPSDIDIRZ-UHFFFAOYSA-N 305.400 -0.729 30 20 DBED CN1CCO[C@@H]2CCN(/C(O)=N/CC(=O)N3CCCC3)C[C@H]21 328865653 GLFMJIKHIPRARU-CHWSQXEVSA-N 310.398 -0.072 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)NCCN1CCSCC1 337088293 HBAZCIHMJMYHPZ-NSHDSACASA-N 306.457 -0.039 30 20 DBED C=CCNc1ncc(C(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)s1 343943321 JMJZPWWBCMKVAA-MRVPVSSYSA-N 321.362 0.117 30 20 DBED N#Cc1cccc(CNC(=O)c2cn(CCO)c(=O)nc2O)c1 345228536 WMTNLCVNINALKR-UHFFFAOYSA-N 314.301 -0.257 30 20 DBED CCC1(CC)NC(=O)N(CC(=O)N(CC#N)CC(=O)OC)C1=O 348799014 MRYNPAQIOKLNHI-UHFFFAOYSA-N 324.337 -0.378 30 20 DBED C=CCCOCCNC(=O)C(=O)N[C@H]1CC(=O)N2CCCC[C@H]12 355259281 XSTHQIATHQRTAF-QWHCGFSZSA-N 323.393 -0.035 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCOC(C)(C)[C@H]2C)C1=O 357936411 MZTQAAYAPFWTQA-SNVBAGLBSA-N 323.349 -0.011 30 20 DBED CNCCCNC(=O)C(=O)NCCOc1ccc(C#N)cc1 419458058 AWALFFRGHHAZDS-UHFFFAOYSA-N 304.350 -0.221 30 20 DBED CS(=O)(=O)C1CN(S(=O)(=O)c2cccc(C#N)c2)C1 425175678 AYMHGTKGQOXCPM-UHFFFAOYSA-N 300.361 -0.024 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@H](O)[C@H](C)C2)C1=O 428684810 WLMMBURBTVCYHK-NXEZZACHSA-N 309.322 -0.808 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)Cc2ccccc2O)CC1 491071048 HMLWOLIGRMBIME-UHFFFAOYSA-N 315.373 -0.172 30 20 DBED C#CCN1CCN(C(=O)CN[C@@H](CO)C2CCOCC2)CC1 491788244 WZPPRVUYYNPDLS-HNNXBMFYSA-N 309.410 -0.859 30 20 DBED Cc1oc(C)c(S(=O)(=O)NCC(=O)NCC#N)c1C(=O)O 505864569 NMTSLRQUNGFTPD-UHFFFAOYSA-N 315.307 -0.487 30 20 DBED CC#CC[C@H](NS(=O)(=O)N(C)CCC(=O)OC)C(=O)O 542862515 BTAKVHBUEHKRJE-VIFPVBQESA-N 306.340 -0.818 30 20 DBED CNS(=O)(=O)CC(=O)N1CCN(c2cnccc2C#N)CC1 557747573 XCRHIRFZWDQXFY-UHFFFAOYSA-N 323.378 -0.849 30 20 DBED COCCN(CCC#N)S(=O)(=O)NCC[C@@](C)(O)COC 573507086 UUORHPCPWOPVMV-GFCCVEGCSA-N 323.415 -0.530 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N[C@@H](CO)[C@@H]1CCCOC1 576242252 SOFIYBUXYZNRID-UTUOFQBUSA-N 305.400 -0.158 30 20 DBED C[C@@H]1CN(C(=O)Nc2nn(C)cc2C#N)C[C@@H](C)S1(=O)=O 589333133 WIFYFDSYIPXAGW-RKDXNWHRSA-N 311.367 0.331 30 20 DBED CCS(=O)(=O)NCCCNC(=O)[C@@H](N)CCCCC#N 594435122 ASAYZKALNZCTFR-NSHDSACASA-N 304.416 -0.157 30 20 DBED CCS(=O)(=O)NCCS(=O)(=O)N1CCC[C@@H](CC#N)C1 594800242 AJALAXANIMINSH-NSHDSACASA-N 323.440 -0.119 30 20 DBED N#CCCN1CCN(C(=O)C(=O)NC[C@@H]2CCSC2)CC1 602257539 OQHIYQZNHIHPIB-LBPRGKRZSA-N 310.423 -0.086 30 20 DBED CN1CCN(C(C)(C)CNC(=O)N2CCO[C@H](C#N)C2)CC1 609281947 DBMIZAXQKVZKJJ-CYBMUJFWSA-N 309.414 -0.054 30 20 DBED CN(CCCNC(=O)N1CCO[C@H](C#N)C1)S(C)(=O)=O 609282896 CCEYAHMCEIEXGV-SNVBAGLBSA-N 304.372 -0.798 30 20 DBED C=C[C@@H](O)C(=O)NC[C@@H](O)COc1ccc2c(c1)CCC(=O)N2 612419280 OGDUYJKQCOUIMA-BXUZGUMPSA-N 320.345 -0.026 30 20 DBED C=CC[C@H](CO)CNC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1OC 666104676 XCSMQJWBMCGZOZ-HBNTYKKESA-N 306.384 -0.718 30 20 DBED C#CCNC(=O)C1CCN(S(=O)(=O)CCCC(=O)O)CC1 736080396 VLZILTWMIGSULA-UHFFFAOYSA-N 316.379 -0.358 30 20 DBED C#CCOc1ccc(NC(=O)C(=O)NCCOCCO)cc1 737232808 HQVNBQRAHTUDFJ-UHFFFAOYSA-N 306.318 -0.238 30 20 DBED CNC(=O)[C@@H](O)CNS(=O)(=O)c1ccc(C#N)cc1Cl 757728918 RULRZSQEJDPNHV-VIFPVBQESA-N 317.754 -0.403 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)C(=O)c1cnn(CC)c1 758850235 LDBREBUVVPPUGX-UHFFFAOYSA-N 308.294 -0.359 30 20 DBED C#CCOc1ccccc1NC(=O)C(=O)NC[C@@H](O)CN(C)C 773163213 IUTNZWYJZQGKOQ-GFCCVEGCSA-N 319.361 -0.324 30 20 DBED COCCNC(=O)[C@H](C#N)C(=O)/C=C\c1cnc(OC)nc1 773976957 SWUADVHBQNWQFF-DLRQAJBASA-N 304.306 -0.030 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCCC2(C1)OCCO2)[C@@H]1CCCO1 809305558 FTJRACNFJUNVDI-STQMWFEESA-N 322.361 -0.351 30 20 DBED CC#CCS(=O)(=O)NC(=O)[C@@H]1CC(=O)N(CC(C)C)C1 810777245 DGQPNAKEGKJBMF-LLVKDONJSA-N 300.380 -0.040 30 20 DBED N#Cc1ccc(F)c(CNC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)c1 828918230 OTVFONROSURFLO-MGPQQGTHSA-N 306.293 -0.274 30 20 DBED C#CC[C@@H](CO)NC(=O)[C@@H]1CCCN(S(=O)(=O)CC)C1 854546366 CWVIDOAOXFMVCV-NEPJUHHUSA-N 302.396 -0.452 30 20 DBED C#CCNC(=O)[C@@H](C)OC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O 856683656 HEIXTILLXFNNCO-PSLIRLAXSA-N 321.333 -0.612 30 20 DBED C=CCNC(=O)COC(=O)[C@@H](CO)NC(=O)OC(C)(C)C 860084684 RVRPKVQMGVINEU-SECBINFHSA-N 302.327 -0.283 30 20 DBED C#CCN1CCC[C@@H](NC(=O)NC[C@H](C)S(C)(=O)=O)C1 884236648 AZFUJFKMYTWDKR-NWDGAFQWSA-N 301.412 -0.184 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2C[C@H]2CC)CC1 894587762 GQEASMNWMBSMIA-VXGBXAGGSA-N 314.411 -0.420 30 20 DBED C=CCN1CCC(NC(=O)C(=O)N2CC[C@@H](CCN)C2)CC1 911235284 AUSZIOOUEFNAGY-CYBMUJFWSA-N 308.426 -0.050 30 20 DBED CO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1NC(=O)c1ccnc(O)c1 941510272 SGTNBMMQVOIRNT-MVWJERBFSA-N 318.333 -0.098 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2CCN(C(=O)c3cn(C)nn3)C2)c1 942369751 XCKTVWCJTCKFHY-CYBMUJFWSA-N 324.344 -0.164 30 20 DBED C[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)CC[C@@H]1NC(=O)C(N)=O 945250316 CSXGZMLTRJSVQA-WPRPVWTQSA-N 303.322 -0.662 30 20 DBED CCN1CCOC[C@@H]1C(=O)NC[C@@H]1CCN1C(=O)C#CC1CC1 950867661 IMOBDMKSOPOWRN-LSDHHAIUSA-N 319.405 -0.162 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H](NC(=O)CN2CCOCC2)C1 951867651 JJOQSQSSRBQLFA-STQMWFEESA-N 308.382 -0.415 30 20 DBED COc1ccc(C(=O)NC[C@@H]2CCN2C(=O)[C@H](C)C#N)nn1 952099450 PKWDDOBJZICRJO-ZJUUUORDSA-N 303.322 -0.024 30 20 DBED C=CCn1cc(C(=O)N(C)C2CN(C(=O)[C@@H]3CCCO3)C2)nn1 954308599 XGDTXSXZWLIKIP-ZDUSSCGKSA-N 319.365 -0.074 30 20 DBED C[C@@H](C#N)C(=O)N1CC(N(C)C(=O)c2cn(C)ccc2=O)C1 954892046 JTESCNKKXTZOMF-JTQLQIEISA-N 302.334 -0.172 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H]1CNC(=O)c1cc(=O)n(C)cn1 956192632 LPDODCRUUVIRRQ-QWRGUYRKSA-N 317.349 -0.339 30 20 DBED CC#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cnc3nccn3c2)C1 958253357 HSXBBOZSLAPFRD-GXTWGEPZSA-N 313.361 -0.225 30 20 DBED C=CCCn1cc(C(=O)NC[C@@H]2CN(CC#CC)C[C@H]2O)nn1 958468163 SOQXMWHUPBVJHZ-UKRRQHHQSA-N 317.393 -0.100 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2cccn3c(O)nnc23)C1 958587131 GLHFZBQEGGPTHC-PWSUYJOCSA-N 315.333 -0.909 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CN(C(=O)CN3CCCC3=O)C[C@H]2C1 959829541 XEUBKPSOMRXLCO-RWMBFGLXSA-N 318.377 -0.315 30 20 DBED O=C(C#CC1CC1)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cc[nH]n1 960062129 SFVZTUFRICFMGR-UONOGXRCSA-N 314.345 -0.125 30 20 DBED CN1C[C@H](C(=O)N[C@@H]2Cc3ccccc3[C@H]2NCC#N)NC1=O 960290716 DRLMUABIWCKZTR-MGPQQGTHSA-N 313.361 -0.095 30 20 DBED C#CCN1C[C@H]2[C@H](NC(=O)c3c(C)c[nH]c3CC(N)=O)[C@H]2C1 961841916 XAQOWSKTXKVNNH-HBYGRHMLSA-N 300.362 -0.356 30 20 DBED CCn1ccnc1C(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 962568143 RPYDIRUXGIBFIE-OLZOCXBDSA-N 316.361 -0.382 30 20 DBED O=C(NC[C@H]1COCCN1C(=O)C#CC1CC1)[C@H]1CCCO1 964077772 GJTDGANRCJMLMA-UONOGXRCSA-N 306.362 -0.078 30 20 DBED Cn1[nH]c(CN[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)nc1=O 968341005 HUZJHCXEMXURFB-SNVBAGLBSA-N 315.337 -0.688 30 20 DBED N#CCN1CCO[C@@]2(CCN(C(=O)CCn3cncn3)C2)C1 972261357 ITAAIBLBIZKJSR-AWEZNQCLSA-N 304.354 -0.505 30 20 DBED CC#CCN1CCO[C@@]2(CCN(C(=O)[C@]3(C)CCC(=O)N3)C2)C1 972540293 PMZABSQSLAYRTR-IRXDYDNUSA-N 319.405 -0.018 30 20 DBED C[C@H]1CCN(C(=O)C(=O)N2CC[C@]3(CN(CC#N)CCO3)C2)C1 972629878 FHAQPIXQMHJRFH-BBRMVZONSA-N 320.393 -0.318 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)[C@@H]3CCCNC3=O)[C@H]2C1 976674298 LGRMLGPQFWDPTH-RNWYCLNJSA-N 304.350 -0.755 30 20 DBED C[C@H](C(N)=O)N1C[C@@H]2C(CNC(=O)c3c[nH]c(C#N)c3)[C@H]2C1 978030523 VVHOHJAESRGQEA-BZHVJNSISA-N 301.350 -0.332 30 20 DBED CC1(C)CC(=O)N(CC(=O)N2CCCN(CC#N)CC2)C1=O 981161734 DCIOMFCBYKOGES-UHFFFAOYSA-N 306.366 -0.171 30 20 DBED C[C@H]1C[C@H](NCC#N)CN1C(=O)c1cnn2c(=O)cc[nH]c12 989534272 TUCXNIMOAAUPDW-UWVGGRQHSA-N 300.322 -0.261 30 20 DBED C=CCCn1cc(C(=O)N2CC(NC(=O)c3cc[nH]n3)C2)nn1 990293818 HNLGXTRYTRAWCK-UHFFFAOYSA-N 315.337 -0.168 30 20 DBED C#CCN[C@@H]1CCC[C@@H]2CN(C(=O)CN3C(=O)CCC3=O)C[C@H]21 992919052 UEJNWRICZGFNST-MGPQQGTHSA-N 317.389 -0.015 30 20 DBED C=C[C@](C)(CC)C(=O)N1CC(NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 999812727 MQQLBQMHMVLHFJ-HWWQOWPSSA-N 323.393 -0.051 30 20 DBED C=CCN1CC[C@@H](n2cc(CNC(=O)c3cnnn3C)nn2)C1 999992927 SJAJZAJNKCYUHN-GFCCVEGCSA-N 316.369 -0.231 30 20 DBED C[C@@H](C#N)C(=O)N1CC(CNC(=O)c2cccnc2C(N)=O)C1 1002294166 GYHHGFXNBQLXLF-VIFPVBQESA-N 315.333 -0.472 30 20 DBED C#CCN1CCC(C(=O)NC2CCN([C@@H](C)C(N)=O)CC2)CC1 1004200979 HGMDWCATXDUXEE-ZDUSSCGKSA-N 320.437 -0.214 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCC1CN(C(=O)c2cnn[nH]2)C1 1004541215 MRTXBXAIKKOKIL-PWSUYJOCSA-N 305.338 -0.416 30 20 DBED CC#CCN1CCC(N(C)C(=O)CN2C(=O)CN(C)C2=O)CC1 1006376492 FAOQCCWODLORSM-UHFFFAOYSA-N 320.393 -0.174 30 20 DBED N#CCN1CCC[C@@H](NC(=O)c2cnn3c(=O)cc[nH]c23)C1 1008784362 NPTKVHAHPXIPKB-SNVBAGLBSA-N 300.322 -0.260 30 20 DBED C=CCCn1cc(C(=O)N[C@H]2CCCN([C@H](C)C(N)=O)C2)nn1 1008812618 AKIVCAUKQPNNRD-NEPJUHHUSA-N 320.397 -0.078 30 20 DBED C=CCN1CC[C@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 1015457419 SNJWWBRDPDOPKK-JTQLQIEISA-N 302.342 -0.316 30 20 DBED N#CCN1CC[C@@H](NC(=O)Cn2nc3n(c2=O)CCCC3)C1 1015953949 JZUXDFZBQHFZLY-LLVKDONJSA-N 304.354 -0.905 30 20 DBED C#CCN1CCC(C(=O)N[C@H]2CCN([C@@H](C)C(=O)NC)C2)CC1 1016336619 MQUMGTKHSKRQBL-ZFWWWQNUSA-N 320.437 -0.343 30 20 DBED C=CCOc1cccnc1C(=O)N[C@H]1C[C@H](NCC(N)=O)C1 1020906757 KMTHCGFVTUQFGY-XYPYZODXSA-N 304.350 -0.018 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NCCn2cncn2)C1 1022221241 AVSBJJCQNKMEAM-ZNMIVQPWSA-N 316.409 -0.388 30 20 DBED C=CCN1CC[C@@H](N[C@H]2C[C@@H](NC(=O)Cc3ncc[nH]3)C2)C1=O 1022888303 HGZSDICUFPKZOP-FRRDWIJNSA-N 317.393 -0.024 30 20 DBED N#CCN1CCC[C@H](CNC(=O)C2CC3(C2)NC(=O)NC3=O)C1 1023640681 LALURPINYSWKTP-RWWNRMGGSA-N 319.365 -0.674 30 20 DBED Cn1[nH]c(CNC[C@H]2CCCN(C(=O)C#CC3CC3)C2)nc1=O 1023979951 WFJDQZZCBPSUCP-CYBMUJFWSA-N 317.393 -0.150 30 20 DBED C=CCN1CC[C@@H](N2C[C@H]3[C@H](NC(=O)[C@H]4CCCO4)[C@H]3C2)C1=O 1025668281 UNNLTFBUOKGHQK-KHMAMNHCSA-N 319.405 -0.001 30 20 DBED C=CCN1C[C@@H]2C[C@H]1CN2C(=O)c1nc(O)nc(O)c1OC 1032729910 QLXNPDQZBBOVRU-IUCAKERBSA-N 306.322 -0.019 30 20 DBED C=CCCN1CC[C@H](N(C)C(=O)Cn2nc(C)n(C)c2=O)C1 1033626964 XHOBHMYCMBEDOO-ZDUSSCGKSA-N 307.398 -0.001 30 20 DBED C#CCCN1CCO[C@@H](CNC(=O)c2ccc3nn[nH]c3n2)C1 1035392507 XOULXBJZRPXJFE-NSHDSACASA-N 314.349 -0.193 30 20 DBED C=CCN1CCO[C@@H](CNC(=O)c2cnc3[nH]nnc3c2)C1 1035395950 ATZUGEKLSJTHTK-NSHDSACASA-N 302.338 -0.031 30 20 DBED C#CCCN1CCO[C@H](CNC(=O)c2ccc(C(N)=O)[nH]2)C1 1035512641 XCCWTKCCDGNLSF-LLVKDONJSA-N 304.350 -0.433 30 20 DBED N#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1NC(=O)NC1=O 1039387955 RVZAJSNYYBUESM-VWYCJHECSA-N 305.338 -0.827 30 20 DBED C#CCN1[C@H]2CCC[C@H]1CN(C(=O)CN1C(=O)CN(C)C1=O)C2 1039995691 RODMVIRCJCKIBH-STQMWFEESA-N 318.377 -0.421 30 20 DBED C=CCCOCC(=O)NC[C@@]1(O)CCN(C(=O)c2nc[nH]n2)C1 1040160124 BFAQUPFCKCHAJY-AWEZNQCLSA-N 323.353 -0.909 30 20 DBED N#Cc1cncc(N2C[C@@H]3CCN(C(=O)Cc4nc[nH]n4)[C@@H]3C2)n1 1040710650 BNHWSIUGHQNCJW-CMPLNLGQSA-N 324.348 -0.254 30 20 DBED C=CCCCC(=O)NC[C@]1(O)CCN(C(=O)Cn2cncn2)C1 1040726555 GKXCJHVJEKHHGT-OAHLLOKOSA-N 321.381 -0.286 30 20 DBED C=CCCCC(=O)NC[C@]1(O)CCN(C(=O)C2(C(N)=O)CC2)C1 1040728808 FFRJNRNIBOQTPI-OAHLLOKOSA-N 323.393 -0.312 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)c2ccnn2C)C1 1040762638 KVFRQFUJAADEEF-HZMBPMFUSA-N 305.338 -0.727 30 20 DBED C=CCOCC(=O)N1CC[C@@](O)(CNC(=O)Cc2cnc[nH]2)C1 1041036069 OXSORTGKJVGIFF-OAHLLOKOSA-N 322.365 -0.766 30 20 DBED C#CCNC(=O)CC(=O)NCC1(O)CN(C(=O)CCCC=C)C1 1042675202 XCFGPWAOTXNLKJ-UHFFFAOYSA-N 321.377 -0.828 30 20 DBED Cc1ccnc(C(=O)NCC2(O)CN(C(=O)[C@H](C)C#N)C2)n1 1042833940 MODUDBAGOGWXAS-SECBINFHSA-N 303.322 -0.752 30 20 DBED C#CCCCCC(=O)N1CC(O)(CNC(=O)[C@H](O)C(C)C)C1 1042876619 FHPWXOCRXWAZJI-CQSZACIVSA-N 310.394 -0.114 30 20 DBED C=CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)[C@@H]2CC2(F)F)C1 1042919949 NVIPUNNSDVDUJK-ZJUUUORDSA-N 318.320 -0.078 30 20 DBED CC(C)(C)C#CC(=O)NCC1(O)CN(C(=O)Cc2ccon2)C1 1042966468 YBGVQDZFHGMFFC-UHFFFAOYSA-N 319.361 -0.044 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)CC2(O)CCC2)C1 1043040335 QXNXDKHZADXBDJ-LBPRGKRZSA-N 324.377 -0.981 30 20 DBED C[C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1Nc1ccc(C#N)nn1 1043076789 MUHKBOJJSWCPIF-MWLCHTKSSA-N 313.325 -0.706 30 20 DBED C#CCN1CC(N(C)C(=O)c2ccc(OCC(N)=O)cc2)C1 1043267671 ATAVFLIHEKBUPI-UHFFFAOYSA-N 301.346 -0.060 30 20 DBED C#CCC1(C(=O)NCC2(O)CN(C(=O)c3nc[nH]n3)C2)CCC1 1043347441 HVHDTVBGSTZSME-UHFFFAOYSA-N 317.349 -0.699 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)[C@@H](F)C(F)(F)F)C1 1043377850 VOSZTXCUKHGFFI-NKWVEPMBSA-N 311.235 -0.264 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)c3cscn3)C2)nn1 1043868318 ATFNOXMWYQAOEQ-KOLCDFICSA-N 316.346 -0.216 30 20 DBED Cc1cncn1CC(=O)NCC1(O)CN(C(=O)[C@@H](C)C#N)C1 1043913168 UJDKVULIJSYFBF-JTQLQIEISA-N 305.338 -0.959 30 20 DBED CN1CCOC[C@H]1C(=O)NC[C@@H]1CN(CC#N)CCC1(F)F 1046930997 OFLXSIIBFSFGMA-NEPJUHHUSA-N 316.352 -0.086 30 20 DBED CN(C(=O)c1nnc2ccccc2n1)[C@H]1CN(CC#N)C[C@@H]1O 1047458432 NHEUSBAUFBNLTM-STQMWFEESA-N 312.333 -0.335 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)CN2CCCCCC2=O)C1 1047619647 UMTSNEHBAIRNFW-KBPBESRZSA-N 307.394 -0.474 30 20 DBED CC(C)CN1C[C@@H](C(=O)NC[C@H]2COCCN2CC#N)CC1=O 1050943951 AAKMJDGLXXTJDR-KBPBESRZSA-N 322.409 -0.169 30 20 DBED CC#CCN1CCOC[C@@H]1CNC(=O)c1cn2c(n1)COCC2 1050981918 NALJNNFWQMALBJ-ZDUSSCGKSA-N 318.377 -0.133 30 20 DBED C#CCCN1CCOC[C@@H]1CNC(=O)C1CCN(C(N)=O)CC1 1051238174 HGGKDBQBKBWMTL-AWEZNQCLSA-N 322.409 -0.383 30 20 DBED C=CCN1CC2(C1)CN(C(=O)c1ccn3nnnc3c1)CCO2 1053370582 MORMASKBDUMHPI-UHFFFAOYSA-N 314.349 -0.163 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)[C@@H]1CCCN1C(C)=O)CCO2 1053513486 IHJOECRNGICNNS-HNNXBMFYSA-N 319.405 -0.066 30 20 DBED CCc1c(C(=O)N[C@H]2COC3(C2)CN(CC#N)C3)nnn1CC 1053923129 OKCFJAGIGQUGLK-LLVKDONJSA-N 318.381 -0.043 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)c3cn(CC4CC4)nn3)CO2)C1 1053969851 ZIANCLNXWCTGRN-CYBMUJFWSA-N 315.377 -0.106 30 20 DBED C=CCCN1CC2(C[C@H](NC(=O)CN3C(=O)CNC3=O)CO2)C1 1054003220 PVAHQJCMSASGAC-NSHDSACASA-N 322.365 -0.926 30 20 DBED CC(C)(C)C(=O)C(=O)N(CCO)CCNC(=O)C#CC1CC1 1057227764 XWIZUYRHTZYGHX-UHFFFAOYSA-N 308.378 -0.048 30 20 DBED C#CCNC(=O)CC(=O)N(CCO)CCNC(=O)[C@H](C)CC 1057390781 PXCCHEMDMYHTFP-GFCCVEGCSA-N 311.382 -0.891 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)c1ccc(F)cn1 1057403040 TZRMQUHGQYJQLQ-JTQLQIEISA-N 308.313 -0.069 30 20 DBED C=CCn1cc(C(=O)N(CCO)CCNC(=O)/C(C)=C\C)nn1 1057625893 JQPKNHDQDNRSLD-XGICHPGQSA-N 321.381 -0.019 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1CCCN(C(=O)[C@@H]2COC(=O)N2)C1 1057630919 GWHHLHJWUJZORV-AAEUAGOBSA-N 315.333 -0.114 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1CCCN(C(=O)Cn2ncnn2)C1 1057698107 QEBCGMHJKRFKHX-LBPRGKRZSA-N 312.337 -0.535 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CCN(c3ccc4nnnn4n3)C2)[nH]1 1058330214 NLURQZGHITXKJC-SNVBAGLBSA-N 323.320 -0.272 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)C[C@@H](C)n1cccn1 1058833355 ZLFTVLVDUQZMFD-QWHCGFSZSA-N 321.381 -0.069 30 20 DBED C=CCOCC(=O)NCC[C@H]1CCN(C(=O)Cn2ncnn2)C1 1059695530 NKTJIWUACCNWLU-LBPRGKRZSA-N 322.369 -0.770 30 20 DBED C[C@@]1(C(=O)N[C@H]2C[C@@H](Nc3ccc(C#N)nn3)C2)CNC(=O)C1 1059773023 AEEFNWXWCXTAJL-RWSFTLGLSA-N 314.349 -0.066 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)CN1CCCC1=O 1061277692 JYXJGFKBNQSMCQ-NWDGAFQWSA-N 322.365 -0.888 30 20 DBED C=CCO[C@@H](C)C(=O)NC[C@H]1COCCN1C(=O)c1cnn[nH]1 1061670409 IZZUDPFUTFWUEE-QWRGUYRKSA-N 323.353 -0.647 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)Cc1cncn1C 1061723052 QAFZVVKGYJASGZ-AAEUAGOBSA-N 319.365 -0.534 30 20 DBED C#CCNC(=O)CC(=O)NCC1(NC(=O)[C@H]2CCCO2)CCC1 1062829650 WAHDCAUZAIVWFD-GFCCVEGCSA-N 321.377 -0.540 30 20 DBED CN(C(=O)Cn1cnnn1)[C@H]1CCN(c2ccc(C#N)nn2)C1 1062884632 YPBAFUGBBIXWCT-NSHDSACASA-N 313.325 -0.928 30 20 DBED N#Cc1cncc(N2CCO[C@H](CNC(=O)c3cc[nH]n3)C2)n1 1063614451 RXGKRRXHQGVMQI-LLVKDONJSA-N 313.321 -0.293 30 20 DBED N#Cc1nccnc1N1CCO[C@@H](CNC(=O)[C@H]2CCOC2)C1 1063618668 IEHFTJIQCVAIAV-RYUDHWBXSA-N 317.349 -0.294 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCO[C@H](CNC(=O)c2cc[nH]n2)C1 1065277667 AJCQYAHOUSKOER-NWDGAFQWSA-N 322.365 -0.042 30 20 DBED C[C@]1(NC(=O)[C@H]2CNC(=O)N2)CCN(c2ccc(C#N)nn2)C1 1065324462 AQMWFGQZPDMXBD-YGRLFVJLSA-N 315.337 -0.885 30 20 DBED CCCN(C)CC(=O)NC[C@@H]1CN(C(=O)[C@H](C)C#N)CCO1 1065557455 RDQXOUVQJMTHOT-CHWSQXEVSA-N 310.398 -0.169 30 20 DBED CN(C(=O)c1cc[nH]n1)[C@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1065568568 DYBNTXUWPDVIIB-RYUDHWBXSA-N 313.321 -0.607 30 20 DBED N#Cc1cncc(N2C[C@H]3CN(C(=O)c4nc[nH]n4)C[C@H]3C2)n1 1066017271 DIYUBMPTKZVEBK-AOOOYVTPSA-N 310.321 -0.325 30 20 DBED N#Cc1nccnc1N1CCOC[C@H]1CNC(=O)[C@H]1CCCO1 1066457222 FCMSVYGKQIKIPM-DGCLKSJQSA-N 317.349 -0.151 30 20 DBED Cn1ncc(C(=O)NC[C@H]2[C@@H]3CN(c4nccnc4C#N)C[C@H]23)n1 1068178310 VCLLUPBPCWJOJJ-RTCCRHLQSA-N 324.348 -0.411 30 20 DBED N#Cc1nccnc1N1C[C@H]2C(CNC(=O)c3nc[nH]n3)[C@@H]2C1 1068180733 OUPYSLDYONULAV-UWVGGRQHSA-N 310.321 -0.421 30 20 DBED N#CCSCC(=O)N[C@@H]1COC2(C1)CN(C(=O)C(F)F)C2 1068711046 PAYSNMSITHYZEO-QMMMGPOBSA-N 319.333 -0.006 30 20 DBED CN1CC[C@H](C(=O)NCc2cnn3c2CN(CC#N)CC3)C1=O 1069870438 UDIZDGVAOPTZGU-GFCCVEGCSA-N 316.365 -0.683 30 20 DBED N#CCN1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2COCCO2)C1 1070398712 XLTMCWGAEFLHNU-WCQYABFASA-N 319.365 -0.246 30 20 DBED C=CCOCC(=O)N1CCC[C@@H](NC(=O)CNC(=O)OC)C1 1070553620 YGUFJZRABSCESY-LLVKDONJSA-N 313.354 -0.348 30 20 DBED CN1CC[C@@H](C(=O)N2C[C@@H](NCC#N)[C@H](c3cn(C)cn3)C2)C1 1070563713 HRIVGDAIVPKXMB-VNHYZAJKSA-N 316.409 -0.221 30 20 DBED C[C@@H](CC(=O)N1CCC[C@@H](NC(=O)C#CC2CC2)C1)NC(N)=O 1070734390 QWZGMTFLLGSMCR-WCQYABFASA-N 320.393 -0.046 30 20 DBED CC#CCN1CCNC(=O)CCN(C(=O)c2cnn(C)c2)CC1 1070937659 UNKYWVGBWPEKPH-UHFFFAOYSA-N 317.393 -0.293 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CCCN(C(=O)c2cnn[nH]2)C1 1070962913 UAECWOVKVOMPPG-WDEREUQCSA-N 305.338 -0.436 30 20 DBED C#CCN1CC[C@@]2(C1)CN(C(=O)CN1CCCC1=O)C[C@H](C)O2 1071133521 CEMOQWXBIPWZQK-WMLDXEAASA-N 319.405 -0.066 30 20 DBED CC#CCN1C[C@H](NC(=O)Cn2nc(C)n(C)c2=O)CC[C@@H]1C 1072033603 OFZNCPBTBZVXSP-GXTWGEPZSA-N 319.409 -0.117 30 20 DBED C[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)CCn1cnnn1 1072040445 YKGPKIRIZYRZAA-WCQYABFASA-N 316.365 -0.560 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CN(CCO)CCCO1 1073640077 UAIZRBJIRVGVOR-CABCVRRESA-N 309.410 -0.717 30 20 DBED CC#CCN1CCCO[C@H](CNC(=O)[C@H]2CCC(=O)NC2)C1 1073671763 DPRCIXCTQVZLFR-UONOGXRCSA-N 307.394 -0.257 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)c2c(C)ncnc2O)C1 1073739591 XZTIKOUYNDIGDQ-LBPRGKRZSA-N 304.350 -0.055 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)c3nccnc3N)C[C@H]21 1074195295 SMOWAQRTCKUGMN-NEPJUHHUSA-N 301.350 -0.393 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)c3nnn(C)c3C)C[C@H]21 1074197551 XOUMISAWEUFONZ-CHWSQXEVSA-N 303.366 -0.328 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)c1cnsn1 1075755302 AQCLZGGUDRVMDO-VIFPVBQESA-N 323.378 -0.698 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H](C)CCNC(=O)CS(C)(=O)=O 1075818112 BXSFLUIWVOVEQG-QWRGUYRKSA-N 318.395 -0.920 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)C(=O)C(C)(C)C 1075965378 MFGXAMCXGXCLNJ-NSHDSACASA-N 323.393 -0.248 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN([C@@H](C)c3nnnn3C)C[C@H]2O)C1 1077642065 VMTMIEUARDUANV-QJPTWQEYSA-N 320.397 -0.211 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC(=O)N(CCC)C2)C1 1077756766 ITUNRJAXCBLYBJ-BFHYXJOUSA-N 309.410 -0.018 30 20 DBED C#CCNC(=O)CC(=O)N1CC(N(CC)C(=O)[C@H]2CCOC2)C1 1079436355 LSARUDABQPWMRX-LBPRGKRZSA-N 321.377 -0.778 30 20 DBED C#CCCCC(=O)N(CC)C1CN(C(=O)[C@H]2CN(C)C(=O)N2)C1 1079682049 NPNXSTBMSIGLFI-CYBMUJFWSA-N 320.393 -0.127 30 20 DBED CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)c2cc(=O)n(C)o2)C1 1080411110 FJASRTAIKUDAOT-VIFPVBQESA-N 306.322 -0.189 30 20 DBED N#CCSCC(=O)NC[C@@H]1CN(C(=O)c2cnco2)C[C@@H]1O 1081288450 DBPZJQGXIDCZLJ-ZJUUUORDSA-N 324.362 -0.520 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2coc(C)n2)C1 1081427707 IQQVVPCKAYIXMB-WCQYABFASA-N 323.349 -0.265 30 20 DBED C#CCCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2nonc2C)C1 1081580412 ODYKVEVHERGRNN-VXGBXAGGSA-N 320.349 -0.269 30 20 DBED CO[C@@H]1CN(Cc2ccc(C#N)s2)C[C@H]1NC(=O)C(N)=O 1082086563 DWGCOAUWQLQAKT-GHMZBOCLSA-N 308.363 -0.580 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cnnc(O)c1 1083113257 RASAAEBPBPZPSO-QWHCGFSZSA-N 302.334 -0.269 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)c2coc(S(C)(=O)=O)c2)C1 1083474138 PWIJVXPEFDHFAV-MNOVXSKESA-N 314.363 -0.356 30 20 DBED COc1cccc2c(C(=O)N[C@@H]3CN(CC#N)C[C@@H]3O)cnn12 1083501881 JRRZTCRPKSBVEN-YPMHNXCESA-N 315.333 -0.359 30 20 DBED Cc1nc2ccnn2cc1C(=O)N[C@@H]1CN(CC#N)C[C@@H]1O 1083902181 FNLQBHGRCXCJGM-NEPJUHHUSA-N 300.322 -0.664 30 20 DBED N#CCN1CC[C@@H]2CN(C(=O)Cc3nc4ncccn4n3)[C@@H]2C1 1084829398 DRVDLLLPBRQBIL-VXGBXAGGSA-N 311.349 -0.277 30 20 DBED COC[C@H](C)C(=O)N[C@@H]1CN(c2nc(C)cc(C#N)n2)C[C@H]1O 1090388478 YQBCBBBYCYRLFP-ZWKOPEQDSA-N 319.365 -0.395 30 20 DBED C=C(C)CCC(=O)N[C@@H]1CN(c2ccc3nnnn3n2)C[C@H]1O 1090491983 SWVJSEMRIIEQAM-GHMZBOCLSA-N 317.353 -0.459 30 20 DBED C#CCN1CC[C@H](NC(=O)Cc2ncccc2OC)[C@H](O)C1 1090520597 QFFXFOGYTUDRHE-GXTWGEPZSA-N 303.362 -0.183 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)c2cn(C)c(=O)nc2O)[C@H](O)C1 1090804853 LFRRACVLLKAGNI-NWDGAFQWSA-N 322.365 -0.773 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)c2ccc(C(N)=O)nc2)[C@@H](O)C1 1090851470 DMNLJXYBEJKOPV-JSGCOSHPSA-N 318.377 -0.078 30 20 DBED CNC(=O)CC(=O)N1C[C@@H](N=c2cc[nH]c(C#N)n2)[C@H](C)C1 1090967822 LMSUQZPAXGPUAC-NXEZZACHSA-N 302.338 -0.835 30 20 DBED C[C@@H]1CN(C(=O)CCNC(N)=O)C[C@H]1Nc1cncc(C#N)n1 1090976666 YQQBNJAAGUHEQC-MWLCHTKSSA-N 317.353 -0.335 30 20 DBED CC(=O)NCC[C@H]1CN(c2nccnc2C#N)CCS1(=O)=O 1091303671 SGPRRHYCNFPRKR-NSHDSACASA-N 323.378 -0.522 30 20 DBED N#Cc1cnc(N2CC[C@H](NC(=O)C#CC3CC3)[C@H](O)C2)cn1 1092152829 XFYOLZQJZUTFBW-UONOGXRCSA-N 311.345 -0.183 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)c3cc[n+]([O-])cc3)c3nccn32)C1 1092343187 CXDOYRIRXOGTLC-ZDUSSCGKSA-N 324.344 -0.074 30 20 DBED CC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cncc(C#N)n1 1092935666 YVXXTCLFSDBGRU-UPJWGTAASA-N 314.349 -0.290 30 20 DBED COC(=O)NCC(=O)N1CCN(c2ccc(C#N)nn2)CC1 1093134929 OZXNCSSDSHCDRR-UHFFFAOYSA-N 304.310 -0.647 30 20 DBED CN(C)CCC(=O)NC1[C@@H]2CN(c3ccc(C#N)nn3)C[C@@H]12 1093342629 PVEFAJSURZQYHB-VXGBXAGGSA-N 300.366 -0.149 30 20 DBED CC(C)(C)n1nnc(C(=O)NCCNc2cncc(C#N)n2)n1 1094203482 UNLKCJQHIHXGQT-UHFFFAOYSA-N 315.341 -0.068 30 20 DBED Cc1noc(C)c1C(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1 1094704336 UOUJAIYTFMVSBM-NSHDSACASA-N 317.349 -0.170 30 20 DBED C#CCCN1CC(N2C[C@@H](NC(=O)C[C@H]3CCCO3)CC2=O)C1 1094710616 VODJTGNGBQTVHU-DZGCQCFKSA-N 319.405 -0.020 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)c3nc(C)c[nH]3)CC2=O)C1 1094792978 WEUWJBOESHKBTH-LLVKDONJSA-N 301.350 -0.634 30 20 DBED N#CCN1CC(N2C[C@H](NC(=O)C[C@@H]3CCCOC3)CC2=O)C1 1094816352 AGJHZEXCYWYXKQ-QWHCGFSZSA-N 320.393 -0.272 30 20 DBED C[C@H](NC(N)=O)C(=O)NCCCN(C)c1ccc(C#N)nc1 1095534225 FHRCYJWPKJMTMG-JTQLQIEISA-N 304.354 -0.047 30 20 DBED C[C@@H](CNC(=O)CO[C@@H]1CCOC1)N=c1cc[nH]c(C#N)n1 1098075505 AJXARLYPHGNXAE-WDEREUQCSA-N 305.338 -0.508 30 20 DBED COc1cc(C(=O)NC[C@H](C)N=c2cc[nH]c(C#N)n2)ncn1 1098081632 OISDOEYOKXQSPC-VIFPVBQESA-N 313.321 -0.201 30 20 DBED C[C@H](CNC(=O)[C@H]1CCCNC1=O)N=c1cc[nH]cc1C#N 1098120978 QUFXKIDNXBGXOC-PWSUYJOCSA-N 301.350 -0.182 30 20 DBED CC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H]1CN(C(C)=O)CCO1 1098308650 OTSUTGBFYPGDRO-LVQVYYBASA-N 319.405 -0.022 30 20 DBED C#CCN(CCO)C1CCN(C(=O)[C@@H]2CCC(=O)N2C)CC1 1098454763 SKXZVGAQXFSEOJ-AWEZNQCLSA-N 307.394 -0.474 30 20 DBED C#CCN1CC(C)(C)CC[C@H]1CNC(=O)CS(=O)(=O)NC 1099344916 QNRGEKPMFYNPJP-LBPRGKRZSA-N 315.439 -0.224 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)Cc2n[nH]c(C)n2)[C@@H](O)C1 1099809175 DANQSKMNLKZNPU-OLZOCXBDSA-N 323.397 -0.590 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CS(=O)(=O)C(C)C)[C@@H](O)C1 1100115928 ICTJATQMMCLZTQ-OLZOCXBDSA-N 316.423 -0.616 30 20 DBED CN(CCNC(=O)c1c[nH]c(C(N)=O)c1)c1ccnc(C#N)n1 1100116631 IOBSMDCZJKRGKM-UHFFFAOYSA-N 313.321 -0.359 30 20 DBED C[C@H](C#N)C(=O)NCC1CC(NCC(=O)N2CCOCC2)C1 1100191356 HYADNAFQRHASME-PNESKVBLSA-N 308.382 -0.511 30 20 DBED C[C@@H]1OCCO[C@@H]1C(=O)NCCN(C)c1cnc(C#N)cn1 1100389985 QIZYELFSUXTFNY-GWCFXTLKSA-N 305.338 -0.295 30 20 DBED COCCC1(C(=O)NCC2CC(NCC(=O)NCC#N)C2)CC1 1100393399 AGJOSHARGKPHAI-UHFFFAOYSA-N 322.409 -0.073 30 20 DBED N#Cc1ccc(N2CCC[C@@H]2CNC(=O)Cc2nc[nH]n2)nn1 1100860930 PCTNXAPLWMJPHP-LLVKDONJSA-N 312.337 -0.206 30 20 DBED CCCN(CCNC(=O)[C@H]1CCNC1=O)c1cncc(C#N)n1 1101220391 DMBZRVDEYQNIDT-LBPRGKRZSA-N 316.365 -0.183 30 20 DBED COCC#CCN1C[C@@H](C)[C@H](CNC(=O)[C@H]2CCCC(=O)N2)C1 1102072732 UAYYGGTZUAXKKO-RBSFLKMASA-N 321.421 -0.011 30 20 DBED CC[C@@H](CNC(=O)[C@H]1CCNC1=O)Nc1ccc(C#N)nn1 1103258989 ASKLCPCQHJMVAV-ONGXEEELSA-N 302.338 -0.209 30 20 DBED CC(C)[C@H](CNC(=O)CNC(N)=O)Nc1cnc(C#N)cn1 1105105886 GDYSWRCPJRTWNE-JTQLQIEISA-N 305.342 -0.431 30 20 DBED N#Cc1nccnc1NC[C@H](O)CNC(=O)[C@@H]1CCCOC1 1105741408 FWURLJYMCUBJNQ-MNOVXSKESA-N 305.338 -0.336 30 20 DBED CN1CCO[C@@H](C(=O)NC[C@@H](O)CNc2ncccc2C#N)C1 1105770206 WMTKEWBKFNFVSO-QWHCGFSZSA-N 319.365 -0.827 30 20 DBED C[C@H](C(=O)NC[C@H](O)CNc1ncccc1C#N)n1cncn1 1105828264 CEHIUVVHLXFWTF-ZYHUDNBSSA-N 315.337 -0.305 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)[C@H]2CCCC(=O)N2)cn1 1105996993 FZVOWEMYGMMBLS-CHWSQXEVSA-N 317.349 -0.489 30 20 DBED CCN(CCNc1cncc(C#N)n1)C(=O)[C@H]1CN(C)CCO1 1106710128 XHSJGYZGOOIWQS-CYBMUJFWSA-N 318.381 -0.061 30 20 DBED C[C@]1(CNC(=O)c2ccnc3[nH]nnc23)CN(CC#N)CCO1 1108065683 XTBCUKBIEBYQNS-AWEZNQCLSA-N 315.337 -0.303 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)[C@H]2CCNC(=O)CC2)C1 1108097117 BRICELZFHJDCCA-CZUORRHYSA-N 307.394 -0.257 30 20 DBED CC(C)(C)C#CC(=O)N1CCN(CC#N)[C@H]2CS(=O)(=O)C[C@H]21 1108472509 ZAJMHBKIJSUQRR-QWHCGFSZSA-N 323.418 -0.131 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)CCCN(C)C)CC2=O)C1 1108567061 UJOCPKVBLXJYCP-CYBMUJFWSA-N 308.426 -0.085 30 20 DBED C=C[C@](C)(CC)C(=O)N[C@H]1CC(=O)N(C2CN(CC(N)=O)C2)C1 1108569045 BEZBSCHXWCBJAP-MEDUHNTESA-N 322.409 -0.525 30 20 DBED COCCC(=O)N1C[C@H]2C[C@@H](NCC(=O)NCC#N)C[C@H]1C2 1108597781 VFGRMPYXDMYLHH-YNEHKIRRSA-N 308.382 -0.368 30 20 DBED C[C@H](CN(C)c1cncc(C#N)n1)NC(=O)CCCC(N)=O 1109011805 DGLJKSBTHUWNBG-SNVBAGLBSA-N 304.354 -0.055 30 20 DBED C[C@@H](CC(=O)N[C@H](C)CN(C)c1cncc(C#N)n1)NC(N)=O 1109097424 MVCUAPGWHADZPD-VHSXEESVSA-N 319.369 -0.264 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1nc(O)n[nH]1 1109266436 BXSMOBMZENSMPG-USZNOCQGSA-N 319.365 -0.230 30 20 DBED N#Cc1ccc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)CCNC(N)=O)nc1 1109708875 QJQSUHNWKYCZEU-UHIISALHSA-N 314.349 -0.295 30 20 DBED CN(C)C(=O)CC(=O)N[C@@H]1[C@H]2C[C@H]1N(c1ccc(C#N)nn1)C2 1109743618 XBNHSVCVDSZNMT-ZVWUFJHRSA-N 314.349 -0.480 30 20 DBED Cc1nocc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1110974064 LWFVOSHCICXYHO-RTXFEEFZSA-N 317.349 -0.042 30 20 DBED CCOCC(=O)NC[C@@H]1COCCN1c1nccnc1C#N 1111650917 HKKBSELOYYFRHY-LLVKDONJSA-N 305.338 -0.294 30 20 DBED C#CCOCCC(=O)N[C@]12CCC[C@H]1CN([C@@H](C)C(N)=O)C2 1111745986 DIESEKMOCABYKL-XEZPLFJOSA-N 307.394 -0.129 30 20 DBED CC(C)(O)CC(=O)NC[C@@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1112718310 UAYHCHZSDGFONB-MNOVXSKESA-N 319.365 -0.577 30 20 DBED C[C@H](Nc1cnc(C#N)cn1)[C@@H](C)NC(=O)CCn1cnnn1 1113125063 SPECVOPIGKGXGV-VHSXEESVSA-N 315.341 -0.270 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)Cc2[nH]cnc2C)CC1 1113583396 JDWXDAMRPDTLEI-ZDUSSCGKSA-N 317.393 -0.457 30 20 DBED C[C@H](CNC(=O)c1nnn(C)n1)N(C)c1ncc(C#N)cc1F 1113814515 FQQWTVLTVGEZJL-MRVPVSSYSA-N 318.316 -0.129 30 20 DBED COC[C@H](OC)C(=O)NC[C@H](C)N(C)c1ccc(C#N)nn1 1113858358 VAJMUEDUJKLSPE-JQWIXIFHSA-N 307.354 -0.049 30 20 DBED N#CCNC(=O)CN1C[C@@H]2C(NC(=O)COCC3CC3)[C@H]2C1 1113927298 MSFUAWUFHROMQK-RYUDHWBXSA-N 306.366 -0.901 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1[C@@H]2CN(Cc3cnns3)C[C@@H]21 1114160110 RQWDKWSWDPJMSW-YABSGUDNSA-N 319.390 -0.776 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@@H]2CN(CCOC3CCC3)C[C@@H]12 1114160458 YMDHKBVIVRZVNM-ZIAGYGMSSA-N 319.405 -0.259 30 20 DBED CNC(=O)CC(=O)N[C@H]1CN(c2cnc(C#N)cn2)CC1(C)C 1114444655 ZIJKIXPYVITXOJ-NSHDSACASA-N 316.365 -0.185 30 20 DBED C=CCOCCN1C[C@H]2[C@H](NC(=O)c3nnc(O)nc3O)[C@H]2C1 1114523663 GLOOMCDWXDSCFJ-MYJAWHEDSA-N 321.337 -0.855 30 20 DBED O=C(C#CC1CC1)NC[C@H]1[C@@H]2CN(c3nccn4nnnc34)C[C@H]12 1114544699 SKRMJCHNZYSWPG-XYYAHUGASA-N 323.360 -0.269 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)CCn3ccnc3)[C@H]2C1 1114652671 RJCGULWHUQWWKT-STQMWFEESA-N 315.377 -0.931 30 20 DBED C[C@@H](CN(C)C(=O)Cn1cnnn1)Nc1cnc(C#N)cn1 1115603505 UHQSPSPLAHMVSX-VIFPVBQESA-N 301.314 -0.706 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)NCc1c(CC)nn(C)c1OC 1117580274 CDZGHNSWICPTIE-JTQLQIEISA-N 324.381 -0.076 30 20 DBED C[C@](C#N)(NC(=O)CN1C(=O)NC2(CCNCC2)C1=O)C1CC1 1118136469 YGFMWHUOWSHPSS-CQSZACIVSA-N 319.365 -0.531 30 20 DBED COC[C@H](OC)C(=O)N(C)C[C@@H](C)N=c1cc[nH]c(C#N)n1 1120627509 VFBSNZDKDVPZLL-MNOVXSKESA-N 307.354 -0.310 30 20 DBED CCCCOCC(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1 1121256339 AMRRBPLBSMXPIR-LLVKDONJSA-N 307.354 -0.524 30 20 DBED COCC[C@H](C)C(=O)NC[C@@H](CO)Nc1nccnc1C#N 1121606815 JPLGRFPYLKZEKG-QWRGUYRKSA-N 307.354 -0.090 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)c2cncnc2O)nn1 1122170906 UVGGLTFCSPBVTC-VIFPVBQESA-N 315.293 -0.953 30 20 DBED CC(C)(C(N)=O)C(=O)NC[C@H](CO)Nc1ccc(C#N)nc1 1122199001 ZSOFGBKMMVDDBU-LLVKDONJSA-N 305.338 -0.646 30 20 DBED C=CC(C)(C)C(=O)NC[C@H](CO)Nc1ccc2nnnn2n1 1122309887 CVHFMTLMZWPRAH-SECBINFHSA-N 305.342 -0.380 30 20 DBED C[C@H]1CCCN1CC(=O)NC[C@@H](CO)Nc1cncc(C#N)n1 1122525604 CSOCZEBPHANMAM-AAEUAGOBSA-N 318.381 -0.278 30 20 DBED C[C@@H]1[C@@H](Nc2cncc(C#N)n2)CCN1C(=O)CCNC(N)=O 1123013306 UNGOLQIIUHLBSJ-KOLCDFICSA-N 317.353 -0.192 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)Cn1cc(C)cn1 1124282392 UELJKFRJABFLSH-UHFFFAOYSA-N 320.397 -0.341 30 20 DBED N#CCOc1ccc(CNCCNC(=O)[C@H]2COC(=O)N2)cc1 1126548367 JSPUZWIMJFXCAY-CYBMUJFWSA-N 318.333 -0.097 30 20 DBED CC#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)COCCOC)C1 1128834378 KZVSSEHNMRCLEW-KGLIPLIRSA-N 321.381 -0.694 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@H](n2ccnn2)[C@H](NCCOC)C1 1129829443 HWXBKPQTZIWLGY-MCIONIFRSA-N 321.381 -0.696 30 20 DBED C#CCC1(C(=O)N2C[C@H](n3ccnn3)[C@H](NCCO)C2)CCC1 1129894868 VRUCHLSZPYZZIK-KGLIPLIRSA-N 317.393 -0.195 30 20 DBED C#CCCN1CCOC[C@H]1c1n[nH]c(CNC(=O)COC)n1 1130823237 PRNWWRYTDAZHQX-NSHDSACASA-N 307.354 -0.536 30 20 DBED CNC(=O)CCCC(=O)N1C[C@H]2C[C@@H]3CN(CC#N)C[C@]2(C1)O3 1131221057 XOBZEKRHEFVSML-XJKCOSOUSA-N 320.393 -0.272 30 20 DBED C=CCOCC(=O)N[C@@H]1CC[C@@H](C)N(Cc2nc(=O)n(C)[nH]2)C1 1131946208 HSENFPMOEXOHGR-VXGBXAGGSA-N 323.397 -0.220 30 20 DBED C#CCNC(=O)CNCCNC(=O)Cc1c(C)nn(C)c1C 1132037172 RKNSDPYMDDJYSH-UHFFFAOYSA-N 305.382 -0.965 30 20 DBED C#CCN1C[C@H](NC(=O)CCCN2C(=O)CNC2=O)CC[C@@H]1C 1132477950 GYGAKYOVDUQFDJ-QWHCGFSZSA-N 320.393 -0.079 30 20 DBED C#CCNC[C@@H]1CN(C(=O)CN2CCOCC2=O)CC[C@@H]1C 1132900565 FVSNBDDUJSOIEU-UONOGXRCSA-N 307.394 -0.447 30 20 DBED C[C@H](NS(C)(=O)=O)C(=O)NCCNCc1ccc(C#N)cc1 1134352500 KXNFTMKZSWHNOD-NSHDSACASA-N 324.406 -0.298 30 20 DBED C=CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)C(C)(C)C(N)=O 1134657821 NDAORISSLWLKHW-QWRGUYRKSA-N 312.414 -0.327 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1sc(N(C)C)nc1C 1134868948 LXKOEFGKPAHAQC-UHFFFAOYSA-N 323.422 -0.414 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)c1c(C)cnn1C 1135219106 QLKZEJJTOLFWBG-CHWSQXEVSA-N 319.409 -0.036 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CCc2nc[nH]c2C1 1146993521 BRIBJJQYPMKMTL-NWDGAFQWSA-N 319.409 -0.089 30 20 DBED Cc1cccn(CC(=O)NC[C@@H]2CN(CC#N)CCCO2)c1=O 1149720477 AJOJIDZFXKKJFL-CQSZACIVSA-N 318.377 -0.113 30 20 DBED C=CCCOCC(=O)NCCNC[C@H](O)COCCOC 1153085699 HVBUTOSFSWCWEF-ZDUSSCGKSA-N 304.387 -0.691 30 20 DBED C[C@@H](C#N)C(=O)NCCCN[C@H](C)C(=O)NC(=O)NC1CC1 1155860881 YGUAQLDORVXYTG-VHSXEESVSA-N 309.370 -0.381 30 20 DBED C#CCO[C@@H](C)C(=O)NCCCNC[C@H](O)COCCOC 1157874323 NWVSIOMOVXOOFR-KBPBESRZSA-N 316.398 -0.856 30 20 DBED C#CCN1CC=C(CCNC(=O)CN(C)S(C)(=O)=O)CC1 1160279075 DSZZLZOQORXDAD-UHFFFAOYSA-N 313.423 -0.351 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)c1cn(C)nc1CC 1160550493 CTMIDZIFBRCKEV-GFCCVEGCSA-N 319.409 -0.170 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)c1cn(C)nc1OC 1163825137 KWGGQDQWZZQVRI-LLVKDONJSA-N 321.381 -0.724 30 20 DBED C#CCNC(=O)[C@@H](C)NCC1(CCNC(=O)c2cnon2)CC1 1167494801 BUTFRBRBMKFHTB-LLVKDONJSA-N 319.365 -0.303 30 20 DBED COCC#CCNCCCNC(=O)c1nc2ncccn2n1 1168834396 BFJCQZJTGLPDJS-UHFFFAOYSA-N 302.338 -0.516 30 20 DBED N#CCNC(=O)CNCCCNC(=O)COc1ccccc1 1171891194 VGSHKQMWUKHUNY-UHFFFAOYSA-N 304.350 -0.199 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)c1ccc(O)nc1 1175164521 IGCXOBNHBABMST-LLVKDONJSA-N 304.350 -0.365 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@@H](CC)N1CCCC1=O 1176476834 GFJGVDRGUHOLBE-CYBMUJFWSA-N 324.425 -0.215 30 20 DBED CCOc1cnc(C(=O)NCCCNCC(=O)NCC#N)cn1 1177508915 STKOVJQFDXNCPM-UHFFFAOYSA-N 320.353 -0.775 30 20 DBED C[C@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)[C@@H]1[C@H]2COC[C@H]21 1179392937 SPQVUHIPJBGMAK-BYNIDDHOSA-N 306.366 -0.902 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)[C@H](COC)OC)[C@H]1C 1179502927 GXZBXJHQTLRHFJ-AVGNSLFASA-N 313.398 -0.471 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](NCc2cncn2C)C1 1182134762 WCJQYIFPXHGFRO-GFCCVEGCSA-N 303.366 -0.750 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)CCCCC(N)=O)C1 1186948360 CHNYHXIOKCCBBN-QWHCGFSZSA-N 322.409 -0.640 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2cc(C)on2)C1 1188775779 IAQPDLNPGJFDSK-GFCCVEGCSA-N 304.350 -0.121 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2cn(CC)nn2)C1 1193121684 GFDPXXICTVDQBI-LBPRGKRZSA-N 320.397 -0.254 30 20 DBED C#CCCN(C)[C@@H]1CCN(C(=O)[C@@H]2CN(C(C)=O)CCO2)C1 1193785875 BIXKZYOLTWAIKX-CABCVRRESA-N 307.394 -0.210 30 20 DBED N#CCNC(=O)CNC1CCN(C(=O)[C@H]2C[C@H]3C=C[C@H]2O3)CC1 1201321602 QMEOLXLUYJRVFY-HZSPNIEDSA-N 318.377 -0.450 30 20 DBED C#CCNC[C@H]1CN(C(=O)[C@@H]2CCC(=O)N(C)C2)CCCO1 1202155478 ZFAKJCAVSXODTG-KGLIPLIRSA-N 307.394 -0.305 30 20 DBED N#CCNC(=O)CNC1CCN(C(=O)[C@H]2C[C@@]23CCOC3)CC1 1203229379 ORMOWYAPDXFGOM-CZUORRHYSA-N 320.393 -0.367 30 20 DBED C#CCNC(=O)[C@H](C)NCC1CCN(C(=O)[C@H]2CCOC2)CC1 1204705980 XCYLGZIWCNTDKT-ZFWWWQNUSA-N 321.421 -0.011 30 20 DBED COCC#CCN[C@H]1C[C@H]2CC[C@H]1N(C(=O)Cc1nc[nH]n1)C2 1204872172 HQIZKIANSNIEBH-HZSPNIEDSA-N 317.393 -0.034 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@H](NCc2nccn2C)C1 1207870343 WOJOPWSZRHLIOU-ZDUSSCGKSA-N 317.393 -0.360 30 20 DBED CO[C@@H]1CN(CCCN2CCCC2=O)C[C@H]1NC(=O)[C@@H](C)C#N 1212045599 RQFBUDRTKIVQDV-BFHYXJOUSA-N 322.409 -0.026 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](NCC[C@H]2CCOC2)[C@H](C)C1 1214473226 BCYVTKXBAPMZQT-QLFBSQMISA-N 321.421 -0.011 30 20 DBED C=CCCCN[C@@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@H]1C 1214665761 JCUXGLYZCMEKCR-VXGBXAGGSA-N 320.397 -0.220 30 20 DBED C=CCC[C@H](C)N1C[C@H]2[C@@H](C1)OCCN2C(=O)Cn1ncnn1 1217915047 IECFUWDGROYTSA-MELADBBJSA-N 320.397 -0.061 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)/C=C/C2CC2)C1 1219419936 IXYIFYSLGITKHK-NIIIIQAQSA-N 307.394 -0.195 30 20 DBED CCC[C@H](C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@@H]1O)C(C)C 1220451879 LSWNNJYYMDVPJT-MJBXVCDLSA-N 324.425 -0.140 30 20 DBED N#CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3ccccn3)[C@@H]2C1 1221224055 NRUIPPAWYSLPOO-TZMCWYRMSA-N 313.361 -0.132 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)COCc3nncn3C)[C@@H]2C1 1221905991 WMBUBVUFTZJAJG-CHWSQXEVSA-N 303.366 -0.502 30 20 DBED CNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)C#N 1225395980 VTTYGOZUYUAUIH-GMTAPVOTSA-N 309.370 -0.381 30 20 DBED COC[C@@H](O)CN1CC[C@H]1CN(C)C(=O)CSCC#N 1230815321 MXNUDNZRKDBIPS-RYUDHWBXSA-N 301.412 -0.217 30 20 DBED C=C(C)CN1CC[C@H]1CN(C)C(=O)Cn1ccc(=O)n(C)c1=O 1235007790 RIQBBSWDCWVYDA-ZDUSSCGKSA-N 320.393 -0.344 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N[C@@H](C)CN1CCOCC1 1257059146 GDNXGYHPCOCVEB-AWEZNQCLSA-N 305.378 -0.692 30 20 DBED C#C[C@H](C)N(C)c1nnc(Cc2nn[nH]n2)n1C[C@H]1CCOC1 1263562074 JZGODRURDZGCOY-WDEREUQCSA-N 316.369 -0.124 30 20 DBED CC[C@@H](C(=O)NC[C@@]1(O)CCN(CC#CCOC)C1)N(C)C 1278815706 HNEGUDYQICCXGI-HOCLYGCPSA-N 311.426 -0.471 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@](C)(CO)C2)C1=O 1319653799 WUMRGGICGQWXHQ-HNNXBMFYSA-N 323.349 -0.416 30 20 DBED C#CCCCNC(=O)C(=O)NC[C@H]1CC[C@H](C(=O)N(C)C)O1 1324827371 VJTBTDHZTKHQLY-VXGBXAGGSA-N 309.366 -0.732 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCCC2(CCNCC2)C1 1325357884 XPYLVQOEFNBCET-UHFFFAOYSA-N 307.394 -0.255 30 20 DBED C=CCN1CCC(NC(=O)C(=O)NCCCC(=O)N(C)C)CC1 1325905716 LYPPVJQGNFMDJY-UHFFFAOYSA-N 324.425 -0.262 30 20 DBED CCc1csc(NC(=O)C(=O)NCCn2cnc(C#N)n2)n1 1325982200 UOUJDSSMCXWSFC-UHFFFAOYSA-N 319.350 -0.076 30 20 DBED CC#CC[C@H](CO)NC(=O)c1cn(Cc2noc(C)n2)nn1 1326357217 SWRGBJVZWBXKOP-SNVBAGLBSA-N 304.310 -0.478 30 20 DBED O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)NCCC1CC1 1326596541 LCSGRQQDIWJIJU-SEYXRHQNSA-N 320.349 -0.455 30 20 DBED C#CCNC(=O)C1CCN(CCCN2C(=O)CNC2=O)CC1 1327172776 XBHIWHDYZCRYNA-UHFFFAOYSA-N 306.366 -0.610 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N[C@@H]1CCN(C(C)=O)C1 1328495309 VPBJMBQBKOWNJC-LLVKDONJSA-N 303.384 -0.493 30 20 DBED C#CCOCCNC(=O)C(=O)N1CC[C@H](Cc2cnn(C)c2)C1 1329099477 PSPNCTWZXBISJE-CYBMUJFWSA-N 318.377 -0.423 30 20 DBED CN1CCC[C@@H](NC(=O)C(=O)N2CCC(CC#N)CC2)C1=O 1329940361 RQAHIVCFQOTGJH-GFCCVEGCSA-N 306.366 -0.124 30 20 DBED COCCCNC(=O)[C@@H](C#N)C(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1356220540 IOHYRZOGYKELCF-ZJQBRPOHSA-N 310.350 -0.101 30 20 DBED CCN1CCC(CNC(=O)Cn2cc(C#N)c(O)nc2=O)CC1 1361908951 OGGOAWBZFVUTLX-UHFFFAOYSA-N 319.365 -0.331 30 20 DBED Cc1nnc([C@H](C)NC(=O)Cn2cc(C#N)c(O)nc2=O)s1 1362461865 JALDAFSQRUWTQE-LURJTMIESA-N 320.334 -0.142 30 20 DBED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CC[C@@](O)(CC#N)C1 1362934707 IKWZSOCFIYWKDO-HZMBPMFUSA-N 313.354 -0.251 30 20 DBED Cn1c(=O)[nH]c(N2CC[C@H](C(=O)N3CCCC3)C2)c(C#N)c1=O 1364171185 KLFHSINOJNXLBV-JTQLQIEISA-N 317.349 -0.606 30 20 DBED CO[C@H]1COCC[C@@H]1CNC(=O)NCCn1cnc(C#N)n1 1364291565 QRULMZUZSCEJOB-MNOVXSKESA-N 308.342 -0.500 30 20 DBED CN1CCC[C@@H]1C(=O)NC[C@@H](O)CNC(=O)c1ccc(C#N)[nH]1 1376585733 MQOSZCHIFOMFQS-WCQYABFASA-N 319.365 -0.813 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)C1CCN(C(=O)c2cnn[nH]2)CC1 1384771070 RXGXPTLISZLZON-JTQLQIEISA-N 320.353 -0.610 30 20 DBED C[C@H](CNC(=O)c1cnn(CCN(C)C)c1)NC(=O)[C@H](C)C#N 1389268720 YBSHQWRMGFGWGQ-VXGBXAGGSA-N 320.397 -0.161 30 20 DBED Cc1nc(C(=O)NC[C@]2(O)CCN(C(=O)[C@@H](C)C#N)C2)co1 1394635700 VNASLWHZTRBUKR-LKFCYVNXSA-N 306.322 -0.164 30 20 DBED CC(=O)NCC(=O)NCCN(C(=O)c1cc(C#N)c[nH]1)C1CC1 1398282166 CCZNTKHFNWCBGR-UHFFFAOYSA-N 317.349 -0.257 30 20 DBED C[C@H](CCNC(=O)c1cc(C#N)c[nH]1)NC(=O)c1cn(C)nn1 1408453254 PTDFOHVYSGMGOL-SECBINFHSA-N 315.337 -0.047 30 20 DBED C[C@H](C#N)C(=O)NCCN(C)C(=O)c1nc2ncccn2n1 1408674124 QOJJGBWSRQOOAH-SECBINFHSA-N 301.310 -0.528 30 20 DBED COC(=O)C1(CNC(=O)CCn2cc(C#N)c(O)nc2=O)CC1 1412031553 FBEREDAMQGJEJE-UHFFFAOYSA-N 320.305 -0.720 30 20 DBED CCC(=O)N[C@@H](C)C(=O)NC1CN(C(=O)c2c[nH]c(C#N)c2)C1 1416036068 XDRZYPNRLYNQNI-VIFPVBQESA-N 317.349 -0.258 30 20 DBED Cc1nc(C#N)cc(N(C)Cc2nnc3n2CCN(C)C3=O)n1 1421245281 CWBOBPSOWMPXHZ-UHFFFAOYSA-N 312.337 -0.030 30 20 DBED COC[C@@H](NC(=O)NCCn1cc(C#N)c(O)nc1=O)C1CC1 1427232546 MWIMMSGXISRGAN-LLVKDONJSA-N 321.337 -0.455 30 20 DBED CN(CCNC(=O)Cn1cccn1)C(=O)c1cc(C#N)c[nH]1 1429163722 OJFHXYOLFDMJPW-UHFFFAOYSA-N 300.322 -0.029 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(C)(CNC(=O)Cn2ncnn2)CC1 1432710123 VFMBMTVQZZQYSN-NSHDSACASA-N 319.369 -0.422 30 20 DBED C[C@@H](CN(C)C(=O)c1cnnn1C)NC(=O)c1c[nH]c(C#N)c1 1443793778 VQZQJFSDMCJPBQ-VIFPVBQESA-N 315.337 -0.095 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@H](CO)[C@@H]1CCOC1 1463432021 QHZOZPJQDGGLBN-VXGBXAGGSA-N 321.399 -0.920 30 20 DBED N#CC[C@]1(O)CCN(S(=O)(=O)C2CCS(=O)(=O)CC2)C1 1463967447 ZNHIFLBHLKTTID-NSHDSACASA-N 322.408 -0.756 30 20 DBED N#Cc1cn(CCNC(=O)CCc2ccncn2)c(=O)nc1O 1470361492 RNKWKFGZQOLJCI-UHFFFAOYSA-N 314.305 -0.640 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)c2cc3n(n2)CCO3)CC1 1506191227 KLSPOBLHMVMCJS-SECBINFHSA-N 303.322 -0.186 30 20 DBED C#CCNCC(=O)N[C@H](C)c1cccc(S(=O)(=O)NC)c1 1521313355 QMOQKLGIHTUQBD-LLVKDONJSA-N 309.391 -0.005 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CCN(C(=O)c2nccnc2N)C1 1527114519 KNLHRNUGOFOEIR-UWVGGRQHSA-N 302.338 -0.203 30 20 DBED C#CCN(Cc1cnn[nH]1)c1nnc(C)n1CCOCCCO 1574953597 BJVLXZYEDZJWSH-UHFFFAOYSA-N 319.369 -0.257 30 20 DBED CC(C)(C)C(=O)N1CCO[C@H](C(=O)N2CCNC[C@@H]2C#N)C1 1575098541 GGLCCGZWAXVBMV-RYUDHWBXSA-N 308.382 -0.416 30 20 DBED COCCOCCOCCN(C)C(=O)N[C@@H]1CNC[C@H]1C#N 1579058994 NLKMNLQCPUPENF-CHWSQXEVSA-N 314.386 -0.581 30 20 DBED N#Cc1c(-c2nn[nH]n2)nc(N)n1CC1CCS(=O)(=O)CC1 1581860852 WOUDQDTXBJFCBF-UHFFFAOYSA-N 322.354 -0.658 30 20 DBED N#Cc1ncc(N2CCCN(CCO)CC2)nc1-c1nn[nH]n1 1581881937 FRWSLCCAHRDDDK-UHFFFAOYSA-N 315.341 -0.967 30 20 DBED C#CCNC(=O)CNC1(CNC(=O)[C@@H]2C[C@@H]2C(=O)O)CCCC1 1588484248 XDHMNHFVFMMDNB-NEPJUHHUSA-N 321.377 -0.525 30 20 DBED N#C[C@@]1(F)CCN(C(=O)C(=O)N2CCO[C@H](CC(=O)O)C2)C1 1601058076 KPOJYLJZMHIVQD-RNCFNFMXSA-N 313.285 -0.847 30 20 DBED C=C(C)CCC(=O)NCCn1cc(-c2nn[nH]n2)c(O)nc1=O 1602759190 AXJMCNITFZBADR-UHFFFAOYSA-N 319.325 -0.399 30 20 DBED COC(=O)[C@@H](O)CNC(=O)CCc1c(C)nc(O)c(C#N)c1C 1649732129 ALJRKHCQHVFCJQ-LBPRGKRZSA-N 321.333 -0.142 30 20 DBED C=CCN(CC)CCCNC(=O)CN1C(=O)C(=O)N(C)C1=O 1752215091 KDBYIHKTWOIGOV-UHFFFAOYSA-N 310.354 -0.579 30 20 DBED C[C@@H](CNC(=O)[C@H](C)Oc1cccnc1)NCC(=O)NCC#N 1752899583 COOKTULDYMZHLQ-RYUDHWBXSA-N 319.365 -0.417 30 20 DBED C#CCO[C@H](C)C(=O)N(C)CCNC[C@H]1CCNC(=O)CC1 1753189878 YNVVJESMWDJFJE-ZIAGYGMSSA-N 309.410 -0.011 30 20 DBED C#CCCN1CCN(CCN(C)C(=O)[C@@H]2CC[C@@H]2C(N)=O)CC1 1753342278 NPEXWJKLUVTQTM-LSDHHAIUSA-N 320.437 -0.403 30 20 DBED CCc1cc(C(=O)N[C@H](C)CN(C)CC(=O)NCC#N)n[nH]1 1754302843 OQEIBJZCYGMJFR-SNVBAGLBSA-N 306.370 -0.338 30 20 DBED C=C(C)CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)CS(=O)(=O)NC 1754431802 UMJQMCKYCBGJTB-NTZNESFSSA-N 301.412 -0.309 30 20 DBED CC[C@H]1CN(C(=O)CCOC)CC[C@@H]1NCC(=O)NCC#N 1754476342 JGIZXKRJYDCSPR-STQMWFEESA-N 310.398 -0.121 30 20 DBED C=CCNC(=O)CNC1(CNC(=O)CN2CCCCC2=O)CC1 1754518852 JOISYKDQTIFYGP-UHFFFAOYSA-N 322.409 -0.461 30 20 DBED C#CCNC(=O)CNC1(CNC(=O)CN2CC[C@H](C)C2)CC1 1754524852 TVQUJWLIZNABNN-ZDUSSCGKSA-N 306.410 -0.684 30 20 DBED C#CCN(C(=O)CC(N)=O)C1CCN(Cc2nnc(C)o2)CC1 1754634923 BVUAQWGJNCMTOW-UHFFFAOYSA-N 319.365 -0.320 30 20 DBED C#CCN(C(=O)c1ncn(C)n1)C1CCN(C[C@H](C)O)CC1 1754636723 XLZFTZQAWAJKSJ-LBPRGKRZSA-N 305.382 -0.264 30 20 DBED C#CCN(C(=O)c1cnco1)C1CCN(CC(=O)NC)CC1 1754639544 MNNXBOPSOBKSIK-UHFFFAOYSA-N 304.350 -0.040 30 20 DBED C#CCNC(=O)CN1CC[C@](C)(NC(=O)Cc2cnc[nH]2)C1 1754680657 QXEMNKXFWGHTHH-HNNXBMFYSA-N 303.366 -0.718 30 20 DBED C#CCNC(=O)CNC[C@@]1(C)CCN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1754703413 ODMXYKJTESABNV-RPCCPQHDSA-N 319.405 -0.544 30 20 DBED C#CCNC(=O)CN1C[C@H]2CN(C(=O)[C@H](CC)OC)C[C@H]2C1 1754840350 XEBREHXYXQRGET-MJBXVCDLSA-N 307.394 -0.449 30 20 DBED COCC(=O)N(C)CC(=O)N[C@H]1CC[C@H](CNCC#N)CC1 1754953048 PSCQRQCQSIPPBI-JOCQHMNTSA-N 310.398 -0.121 30 20 DBED C=CCCN1CC2(C1)CN(C(=O)C[C@H](C)NC(N)=O)CCO2 1755051859 JETVVWNWPWMISN-LBPRGKRZSA-N 310.398 -0.077 30 20 DBED C=CCOCCN1CC2(CC[C@@H](CNC(=O)CC(N)=O)O2)C1 1755052756 HWXLSPFAIJMTSM-LBPRGKRZSA-N 311.382 -0.586 30 20 DBED C=C(C)CCN1CC2(C[C@@H](NC(=O)CCNC(N)=O)CO2)C1 1755066208 WYCIVKLKFUWJEE-GFCCVEGCSA-N 310.398 -0.030 30 20 DBED C=CCNCC1(O)CCN(C(=O)[C@H]2CCCN(C(N)=O)C2)CC1 1755150056 DDKCXIDDBRMVJM-ZDUSSCGKSA-N 324.425 -0.094 30 20 DBED C[C@H](NC(=O)c1ncccc1F)C1CN(CC(=O)NCC#N)C1 1755388327 YVDCXLLLNJUZGP-JTQLQIEISA-N 319.340 -0.089 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)Cc2cc[nH]n2)[C@@H]1C 1755649796 BTDWGYWKLPPZMQ-DGCLKSJQSA-N 303.366 -0.719 30 20 DBED CCn1cc(C(=O)NC[C@H](CO)NC(=O)C#CC2CC2)c(C)n1 1756522435 JUESCLLNSFHFAM-CYBMUJFWSA-N 318.377 -0.168 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H](O)CN(C)C(=O)c1ccnnc1 1756680444 LIBRVQBNRWCQQJ-AAEUAGOBSA-N 320.349 -0.936 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1CN(C(=O)Cc2cc[nH]n2)C[C@H]1O 1757022690 ZZKIXQOZDFTFTP-VXGBXAGGSA-N 306.366 -0.148 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@H](NC(=O)[C@@]2(F)CCOC2)C1 1757202009 CHPBKXWXRGDDGA-TYNCELHUSA-N 312.341 -0.538 30 20 DBED COCCN1CCN(C(=O)NCC2(C#N)CCOCC2)CC1=O 1772431115 HKUJINMVYBKOSS-UHFFFAOYSA-N 324.381 -0.193 30 20 DBED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)CN)CCO2 1785423503 XDHMSLWNUNAZDV-CJNGLKHVSA-N 307.394 -0.176 30 20 DBED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC(=O)NC 1793288881 YEYLUQLAEVLSTC-DRXBFXEBSA-N 321.377 -0.875 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)N(C)CC 1800166032 KWCJKOJGDRQXEU-GUIRCDHDSA-N 307.394 -0.451 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)[C@H](C)NC=O)C1 1845176915 XPFYTJZCLBBZRM-STQMWFEESA-N 321.377 -0.637 30 20 DBED C#CC(=O)N1CCCC12CN(C(=O)CN1CCCCC1=O)C2 1845960525 LGDUBEZQTLAPRD-UHFFFAOYSA-N 303.362 -0.165 30 20 DBED C[C@@H](S)C(=O)N1CC2(CCCN2C(=O)[C@H]2CNC(=O)C2)C1 1846000967 LGEGIFLIDDVVNW-NXEZZACHSA-N 311.407 -0.356 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)Cn2nc(C)cc2C)CC1 53310666 VZFCYINMRAYPSS-UHFFFAOYSA-N 319.409 -0.054 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1CCN(c2cnn(C)c2)CC1 174901764 IYPMWERJVSMPOV-LBPRGKRZSA-N 320.397 -0.058 30 20 DBED C=CCNC(=O)CNC(=O)NC[C@H](C)CN1CCN(C)CC1 180780402 FBGDNNOTXFNVJK-ZDUSSCGKSA-N 311.430 -0.529 30 20 DBED C[C@@H](C(=O)N[C@H](C)CC#N)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 266834568 LBFWVNKCYBJIRJ-OHUUWBQVSA-N 305.334 -0.044 30 20 DBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)CC(N)=O 268762757 MHPCZPHIMHILRN-VIFPVBQESA-N 324.362 -0.831 30 20 DBED C=CCN(C(=O)[C@H](C)NC(=O)OC)[C@H]1CCS(=O)(=O)C1 270505636 ZPIOBSVDWBFMNW-UWVGGRQHSA-N 304.368 -0.067 30 20 DBED C#CCN(C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1)C1CC1 274030910 JXRIMJOXXKGHBP-UHFFFAOYSA-N 312.329 -0.130 30 20 DBED CNS(=O)(=O)CCNS(=O)(=O)c1cccc(C)c1C#N 275825495 FFKVCFVMQLXKGW-UHFFFAOYSA-N 317.392 -0.306 30 20 DBED Cc1cc(S(=O)(=O)NCCN2CCNC(=O)C2)ccc1C#N 277993404 MYKNMQROXAWPQX-UHFFFAOYSA-N 322.390 -0.423 30 20 DBED C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NCCn1cnc(C#N)n1 287130459 QURRIWGNWBZNDW-ZYHUDNBSSA-N 303.370 -0.068 30 20 DBED C=CCCOCCNC(=O)C(=O)/N=c1/ccnc2n(C)[nH]cc1-2 288131190 QCHUVMCNRAWODM-UNOMPAQXSA-N 317.349 -0.011 30 20 DBED Cc1ncc(S(=O)(=O)NCCc2ncn(C)n2)cc1C#N 314389476 SOMJLZHNQMULGY-UHFFFAOYSA-N 306.351 -0.089 30 20 DBED O=C1CN=C(O)N1CC/N=C(/O)N[C@@H]1CCN2CCCC[C@@H]12 329549195 PADPGBMAQKKVNF-MNOVXSKESA-N 309.370 -0.127 30 20 DBED CN1C[C@H](/N=C(/O)N(C)CC(=O)N2CCOCC2)CCC1=O 329859005 WJVCOLWPDMPKIR-LLVKDONJSA-N 312.370 -0.688 30 20 DBED Cn1nnc(C/N=C(/O)N[C@H]2CS(=O)(=O)c3ccccc32)n1 330299098 HUAGFVBIMXOJIS-VIFPVBQESA-N 322.350 -0.258 30 20 DBED CCN(CCO)/C(O)=N/CC1CCN(S(C)(=O)=O)CC1 330447175 YETPEBWBAHFBBR-UHFFFAOYSA-N 307.416 -0.114 30 20 DBED C=CCCC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 330455364 WUALJHSWIOMVKF-UHFFFAOYSA-N 307.350 -0.228 30 20 DBED C=CCCCC(=O)N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 330981653 OCGXRSIRHXTLSO-OLZOCXBDSA-N 316.423 -0.355 30 20 DBED CC[C@@]1(CO)CCCN(S(=O)(=O)N2CCO[C@H](C#N)C2)C1 337161869 VDFOTYIOSOFRKY-CHWSQXEVSA-N 317.411 -0.060 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)NC[C@@H](O)COCC1CC1 337970901 JLAUFNXSHKVIDC-ZYHUDNBSSA-N 305.400 -0.158 30 20 DBED N#CCNC(=O)CNS(=O)(=O)N1CC[C@H]2CCCC[C@@H]2C1 352538041 DMJHXCPYOWZYHB-VXGBXAGGSA-N 314.411 -0.027 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](CO)C/C=C\C)C1=O 354187940 ISLRNKZAWBGEGI-TZGMSPROSA-N 309.322 -0.594 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCCC2CCOCC2)C1=O 357912940 APBPMZOGKDFDIR-UHFFFAOYSA-N 323.349 -0.104 30 20 DBED N#C[C@@]1(NC(=O)CNC(=O)COc2ccccc2)CCOC1 358447491 QKRMTMSRBUKWQQ-HNNXBMFYSA-N 303.318 -0.020 30 20 DBED CNC(=O)[C@@H]1CN(CC(=O)N(CCC#N)CCC#N)CCO1 359631894 HKLOFRYIMHFZDJ-LBPRGKRZSA-N 307.354 -0.911 30 20 DBED N#CCNC(=O)CNC(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1 376195801 ABNUENVONGFWJB-GFCCVEGCSA-N 321.381 -0.330 30 20 DBED C=CCOC[C@@H](NC(=O)[C@H](C)N1CCOCC1)C(=O)OC 435947459 FEDWTPDVGLTWIG-NWDGAFQWSA-N 300.355 -0.433 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@]2(C)CCCOC2)CC1 491429928 WMYONTZKNXZPTJ-MRXNPFEDSA-N 307.394 -0.303 30 20 DBED C[C@@H](C#N)CNC(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1 518421263 RISHVLVONSHFGB-UONOGXRCSA-N 322.409 -0.024 30 20 DBED CN[C@H]1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 565659313 XXYPWXYUGQHYNY-LBPRGKRZSA-N 322.390 -0.343 30 20 DBED N#Cc1ccc(S(=O)(=O)N2CCN([C@@H]3CCNC3)CC2)o1 566503825 PTYUMMRRPREIQR-LLVKDONJSA-N 310.379 -0.181 30 20 DBED C=CCOc1cccnc1C(=O)NCC(=O)NCC(=O)OC 583509358 LNLZSQPGVCQFRL-UHFFFAOYSA-N 307.306 -0.335 30 20 DBED N#CC1(CNC(=O)CNC(=O)c2ccc3c(c2)B(O)OC3)CC1 584974889 BOGDPQVMFVCLOX-UHFFFAOYSA-N 313.122 -0.946 30 20 DBED N#CCNC(=O)CNC(=O)Nc1cccc(N2CCNC2=O)c1 586787322 KQTWMVKSFCIFNJ-UHFFFAOYSA-N 316.321 -0.023 30 20 DBED CC#CC[C@H](CO)NC(=O)NCCn1cc(C(=O)OC)nn1 592020685 VJTZIZSUXBISHS-SNVBAGLBSA-N 309.326 -0.862 30 20 DBED C[C@@H]1CN(CCNC(=O)[C@@H](C)n2cnc(C#N)n2)[C@H](C)CO1 597992639 CIKFOZNDGHTBKH-IJLUTSLNSA-N 306.370 -0.064 30 20 DBED CC#CC[C@@H](CO)NC(=O)[C@@H]1CCCN(S(=O)(=O)CC)C1 649189254 BAPWOZPNZFJBHE-OLZOCXBDSA-N 316.423 -0.061 30 20 DBED CN(CCS(N)(=O)=O)S(=O)(=O)c1ccc(F)c(C#N)c1 719715438 YKWUGFPNLPQGEQ-UHFFFAOYSA-N 321.355 -0.394 30 20 DBED C#C[C@@H](NC(=O)C(=O)Nc1cc(C)cn(C)c1=O)[C@@H]1CCCO1 773793918 GWCPWAIVENSMBY-YPMHNXCESA-N 317.345 -0.071 30 20 DBED C#C[C@H](NC(=O)C(=O)N(C)Cc1cnn(C)c1)[C@@H]1CCCO1 774248522 DWZMUWSHVWNDNQ-STQMWFEESA-N 304.350 -0.325 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)CC2CC2)C1=O 783359682 ZHQPACIBNVLRGN-UHFFFAOYSA-N 308.290 -0.124 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)C23CCN(CC2)C3)CC1 820368852 WCTHBJILKJXDLS-UHFFFAOYSA-N 318.421 -0.634 30 20 DBED CN(C)S(=O)(=O)CCS(=O)(=O)N(CCC#N)CCC#N 820791539 VXKBXDIPMKXOOO-UHFFFAOYSA-N 322.412 -0.663 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)C2[C@H]3CCC[C@H]23)CC1 831565239 PPFJUUFWCHDLQM-RYUDHWBXSA-N 311.407 -0.356 30 20 DBED N#C[C@@H]1CNC[C@@H]1NC(=O)[C@@H]1CC[C@H](C(F)(F)F)NC1=O 843458869 ARJAIBVNHOXRJY-RYPBNFRJSA-N 304.272 -0.329 30 20 DBED CC#CC[C@@H](CO)NC(=O)[C@H](CO)NC(=O)c1cccc(F)n1 846277274 GKEVVTROAOVQPE-JQWIXIFHSA-N 323.324 -0.798 30 20 DBED C#CC[C@@H](CCOC)NC(=O)[C@H]1CCCN(S(N)(=O)=O)C1 863781486 MRUDULKNHWUCKP-RYUDHWBXSA-N 317.411 -0.554 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N[C@H](C)C[S@](C)=O 875322376 HSZCLFNBFZFISZ-HZNYWTHISA-N 302.396 -0.586 30 20 DBED CS(=O)(=O)CC(=O)N1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 937840407 LXJZSWGSWACPNQ-JTQLQIEISA-N 324.362 -0.738 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](NC(=O)c2cc(C(N)=O)c[nH]2)C1 942284625 GNMOBHUIISQRSS-WCBMZHEXSA-N 303.322 -0.396 30 20 DBED C[C@H]1CN(C(=O)CC(N)=O)CC[C@H]1NC(=O)c1c[nH]c(C#N)c1 945228353 ROEIUMJDONJEGI-JOYOIKCWSA-N 317.349 -0.271 30 20 DBED CO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1NC(=O)c1ccncn1 946036493 TUJMFUNOMHIJJD-MVWJERBFSA-N 303.322 -0.408 30 20 DBED C#CCCN1CCC[C@H](N(C)C(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 948821024 XACLOCRSNVJSIO-STQMWFEESA-N 320.393 -0.079 30 20 DBED C=CCn1cc(C(=O)N(C)C2CN(C(=O)[C@@H](C)C#N)C2)nn1 954308051 JNVPXDPQCCVSIK-JTQLQIEISA-N 302.338 -0.093 30 20 DBED CC#CCN1C[C@@H](O)[C@H](CNC(=O)c2nn(CC)nc2C)C1 958744643 RVTYPRJEFOAEFJ-CHWSQXEVSA-N 305.382 -0.348 30 20 DBED CC#CCN1C[C@H]2C(NC(=O)[C@H]3CCN(C)S3(=O)=O)[C@@H]2C1 962005727 DGKJSBKGOPXEQX-IJLUTSLNSA-N 311.407 -0.910 30 20 DBED CN(C)CCn1cc(C(=O)NC2[C@@H]3CN(CC#N)C[C@@H]23)cn1 962016823 LULBIBDZJXJVJR-CHWSQXEVSA-N 302.382 -0.372 30 20 DBED C=C(C)CCN1C[C@H]2[C@H](NC(=O)Cn3c(O)nnc3O)[C@H]2C1 962395255 ABZLPCHRFULGIK-IAZYJMLFSA-N 307.354 -0.298 30 20 DBED C=C(Cl)CN1C[C@@H]2C(NC(=O)Cn3c(O)nnc3O)[C@H]2C1 962415770 QXVJEWBBVSZFLM-YUMQZZPRSA-N 313.745 -0.512 30 20 DBED CCn1nccc1C(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 962459381 GJJNICJWYQMBJP-OCCSQVGLSA-N 316.361 -0.382 30 20 DBED CN(C(=O)Cn1cnc(C(N)=O)n1)C1CCC(NCC#N)CC1 963337813 IOURBCSOIGFNEW-UHFFFAOYSA-N 319.369 -0.740 30 20 DBED C=C(C)C(C)(C)C(=O)N1C[C@H](O)[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 970657020 NNKLUHXJVZIUDQ-KXNHARMFSA-N 323.393 -0.602 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](N(C)CCN2C(=O)CNC2=O)C1 971210441 HNGQWIDFHSEODL-GHMZBOCLSA-N 307.354 -0.769 30 20 DBED C=CCN1C[C@@H](NC(=O)CN2CCC(=O)NC2=O)C(C)(C)C1 977450173 PRVIWMKNRIWIRU-LLVKDONJSA-N 308.382 -0.059 30 20 DBED N#Cc1ccc(C(=O)N2CC(NC(=O)CN3CCCC3=O)C2)[nH]1 990187717 JKGDPWDIXMHALV-UHFFFAOYSA-N 315.333 -0.551 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](NC(=O)c2ccc(=O)n(C)n2)[C@H]1C 990265816 LWJDYFUUOHWXGW-MXWKQRLJSA-N 317.349 -0.341 30 20 DBED Cn1nnnc1CN1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 1010650883 OCRPOHNDMNNQNP-JTQLQIEISA-N 300.326 -0.586 30 20 DBED C[C@@H]1C[C@H](NC(=O)Cn2cnnn2)CN1C(=O)C#CC1CC1 1012582659 SCZXSVXCSZQZBF-PWSUYJOCSA-N 302.338 -0.808 30 20 DBED N#Cc1c[nH]c(C(=O)NC2[C@H]3CN(C(=O)c4cnn[nH]4)C[C@H]23)c1 1012923374 PNEFAXMJAIZNQO-IUCAKERBSA-N 311.305 -0.495 30 20 DBED C#Cc1cncc(C(=O)N2C[C@@H](O)[C@H](NC(=O)C(F)F)C2)c1 1022860362 SULYJXDFPPCWLE-GHMZBOCLSA-N 309.272 -0.371 30 20 DBED CCc1ncncc1C(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1O 1023816233 VTQWYXSHZBLWLU-ZWKOPEQDSA-N 317.349 -0.500 30 20 DBED CC#CCN1CCCC[C@@H]1CNC(=O)c1nnc(O)nc1O 1024533372 VITGBKXKDUSGDK-SNVBAGLBSA-N 305.338 -0.110 30 20 DBED C=C(C)CN1CCC[C@@H]1CNC(=O)c1cn(C)c(=O)n(C)c1=O 1028179134 XIXVRPFVZYEZKB-GFCCVEGCSA-N 320.393 -0.146 30 20 DBED C#Cc1cncc(C(=O)N2C[C@@H]3C[C@H]2CN3Cc2nnn(C)n2)c1 1032617546 HCFTUMSLHWNNIZ-KBPBESRZSA-N 323.360 -0.315 30 20 DBED C#CCN[C@H]1CC[C@H](NC(=O)Cn2ccc(O)nc2=O)CC1 1034685497 UMYOMUKKHSDARS-HAQNSBGRSA-N 304.350 -0.401 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@@H]2CCN2CC(=O)NC2CC2)c1 1038139296 INFUJHMKGNRRCY-LBPRGKRZSA-N 301.350 -0.031 30 20 DBED N#CCSCC(=O)N1CC[C@](O)(CNC(=O)C#CC2CC2)C1 1039677636 KRAXPPYKRWLFJO-HNNXBMFYSA-N 321.402 -0.264 30 20 DBED C=CCC1(C(=O)NC[C@@]2(O)CCN(C(=O)C(N)=O)C2)CCCC1 1040275748 RYVZKJGZCAKMKA-INIZCTEOSA-N 323.393 -0.312 30 20 DBED C[C@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)C2CCN(C)CC2)C1 1040759257 GNJYBTJQEYSEAM-MLGOLLRUSA-N 322.409 -0.433 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)c2cnccn2)C1 1041258365 TZJAEZYCNFSXQW-UHFFFAOYSA-N 302.334 -0.561 30 20 DBED C#CCN1CCC(C(=O)N2CC(O)(CNC(=O)C(C)C)C2)CC1 1041535913 BQFSAUAGMDPWPF-UHFFFAOYSA-N 321.421 -0.323 30 20 DBED N#Cc1nc(=N[C@@H]2C[C@H]3CC[C@H]2N(C(=O)c2nc[nH]n2)C3)cc[nH]1 1041666478 IEQQDCBTVNXGGP-GMTAPVOTSA-N 324.348 -0.007 30 20 DBED C=C[C@@H](CC)CC(=O)N1CC(O)(CNC(=O)c2ncn(C)n2)C1 1042898866 YQVQISRFOLKXTO-NSHDSACASA-N 321.381 -0.280 30 20 DBED C=CCn1cc(C(=O)NCC2(O)CN(C(=O)[C@@H]3C[C@@H]3C)C2)nn1 1043105961 LSMJLEYKHSCOIV-WDEREUQCSA-N 319.365 -0.577 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)c2cncn2C)C1 1043755757 PKRCUAPQBMCILA-UHFFFAOYSA-N 306.366 -0.065 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CN(Cc2nnn(C)n2)C1 1043896580 SJOUOJWUBBJXMQ-NEPJUHHUSA-N 306.370 -0.556 30 20 DBED Cc1cc(C#N)nc(N2C[C@H](O)[C@H](NC(=O)c3cnco3)C2)n1 1044361679 NYKYPAPGVOIZLE-MNOVXSKESA-N 314.305 -0.376 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)Cc2ncc[nH]2)C1 1045286436 LQDSZPGPHYYISN-NSHDSACASA-N 322.365 -0.767 30 20 DBED N#Cc1ccc(N[C@H]2C[C@H](CNC(=O)[C@H]3COC(=O)N3)C2)nn1 1046808927 MLRMVWSXQXIOHC-FBIMIBRVSA-N 316.321 -0.237 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@@H](N(C)C(=O)[C@]2(C)CCC(=O)N2)C1 1047517191 XTAFEWCZVGURQQ-MJVIPROJSA-N 315.801 -0.089 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)COCC(F)F)C1 1049107653 GAPIWFOCOJYZSX-GUBZILKMSA-N 319.308 -0.542 30 20 DBED C=CCCC1(C(=O)N(C)[C@H]2CN(C(=O)CC(N)=O)C[C@@H]2O)CC1 1049441047 KUDDIOBXCVIDHQ-RYUDHWBXSA-N 323.393 -0.362 30 20 DBED C#CCCN1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1ncn(C)c1=O 1049560309 CPOBDQJGLNYKBC-UONOGXRCSA-N 317.393 -0.330 30 20 DBED C[C@@H]1[C@@H](NC(=O)c2cn(C)nn2)CCN1c1cnc(C#N)cn1 1050239674 DRNXEYKCBUUHBG-KOLCDFICSA-N 312.337 -0.126 30 20 DBED C#CCCN1CCOC[C@H]1CNC(=O)[C@@H]1CCCCC(=O)N1 1051109770 OCEFTFBDANIAOX-KGLIPLIRSA-N 307.394 -0.115 30 20 DBED C[C@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1CNC(=O)CSCC#N 1053160871 MFKHTBQGHJIDAY-UWVGGRQHSA-N 322.394 -0.114 30 20 DBED C=C(C)CN1CC2(C[C@H](NC(=O)c3nnc(O)nc3O)CO2)C1 1053859006 XNWVLRPXFLZNOC-VIFPVBQESA-N 321.337 -0.568 30 20 DBED C=CCN1CC2(C[C@@H](NC(=O)[C@@H]3CCCN(C(N)=O)C3)CO2)C1 1053864450 AMBDDCLRFSCKGE-CHWSQXEVSA-N 322.409 -0.077 30 20 DBED C=CCN[C@@H]1CN(C(=O)Cn2ccc(=O)n(C)c2=O)C[C@H]1C 1054710387 NKYNXJGKJBTBEH-VXGBXAGGSA-N 306.366 -0.831 30 20 DBED N#Cc1nccnc1N1C[C@H]2C(NC(=O)Cc3cncnc3)[C@@H]2C1 1056190619 KDFSLWSFLNBAFO-VXGBXAGGSA-N 321.344 -0.068 30 20 DBED N#Cc1nccc(N2C[C@H]3[C@H](NC(=O)[C@H]4C[C@H]4C(N)=O)[C@H]3C2)n1 1056407557 VDPOFLJRTYTCIF-DUYQIWHPSA-N 312.333 -0.980 30 20 DBED C=CCCO[C@@H](C)C(=O)N(CCO)CCNC(=O)COC 1057144018 HRHQFFPILMHKRY-LBPRGKRZSA-N 302.371 -0.449 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)Cc1cncnc1 1057193769 PHHMOBJXBGEGDJ-UHFFFAOYSA-N 322.365 -0.841 30 20 DBED CC(=O)N1CC(C(=O)NCCN(CCO)C(=O)C#CC(C)C)C1 1057516858 BMZXQQLTJXGLLR-UHFFFAOYSA-N 323.393 -0.939 30 20 DBED COCC1(C(=O)N(CCO)CCNC(=O)[C@H](C)C#N)CCC1 1058117596 BOYFYNWACZOOOH-GFCCVEGCSA-N 311.382 -0.100 30 20 DBED Cn1nnc(C(=O)N[C@@H]2CCCN(c3nccnc3C#N)C2)n1 1058219682 ZZCSJWUCPRFWOZ-SECBINFHSA-N 313.325 -0.729 30 20 DBED N#Cc1cncc(N2CCC[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)n1 1058239097 CTTGEDKMKJQYQB-JLLWLGSASA-N 314.349 -0.445 30 20 DBED N#Cc1nccc(N2CC[C@H](NC(=O)C[C@@H]3COC(=O)C3)C2)n1 1058326287 RIAWOAKYEOVTQN-QWRGUYRKSA-N 315.333 -0.004 30 20 DBED COc1ncc(C(=O)N(CCO)CCNC(=O)[C@H](C)C#N)cn1 1058700427 CUSGMENBKMIKHN-SNVBAGLBSA-N 321.337 -0.804 30 20 DBED C[C@@H]1CN(C)C[C@@H]1C(=O)N(CCO)CCNC(=O)C#CC1CC1 1058849270 QGSWJIOMEXWDGV-HIFRSBDPSA-N 321.421 -0.465 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(CCO)CCNC(=O)c1cnco1 1058875691 ZRCGDTLNGCNXPR-NEPJUHHUSA-N 323.349 -0.184 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1C[C@@H](NC(=O)[C@H]2CCNC(=O)C2)C1 1059597167 SUJZUJNQTQPJPH-WCFLWFBJSA-N 313.361 -0.040 30 20 DBED C=CCCC(=O)NC[C@H]1COCCN1C(=O)[C@H]1CCC(=O)N1C 1061401178 CSHZYTZDGPKDTQ-QWHCGFSZSA-N 323.393 -0.083 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)c1cnns1 1061845591 JJQQDHJSKKCULY-DTWKUNHWSA-N 309.351 -0.345 30 20 DBED C[C@@H](C#N)C(=O)N1CCCC[C@@H]1CNC(=O)CS(C)(=O)=O 1062333857 FNPQYWJXSQPNJZ-WDEREUQCSA-N 315.395 -0.312 30 20 DBED N#Cc1ccc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)C2=COCCO2)nn1 1064212690 UAORYEVGLYIGAS-PUYPPJJSSA-N 313.317 -0.070 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)[C@H]2COCCO2)CCO1 1064881311 ROHNNKNZPYSXIK-UONOGXRCSA-N 324.377 -0.595 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)[C@H]2CCN(C)C2)CCO1 1065169619 OSPMJVFEDSJZIN-GJZGRUSLSA-N 321.421 -0.059 30 20 DBED CCN(CC)CC(=O)NC[C@H]1CN(C(=O)[C@@H](C)C#N)CCO1 1065555974 CKFVTMMMLWYDHH-STQMWFEESA-N 310.398 -0.169 30 20 DBED CN(C(=O)c1nc[nH]n1)[C@H]1CN(c2ncccc2C#N)C[C@@H]1O 1065599372 JRNJPEVLPZPFNZ-QWRGUYRKSA-N 313.321 -0.607 30 20 DBED C=CCOCC(=O)N(C)CCCN(C)C(=O)[C@@H]1CCC(=O)N1 1066998943 KGFSPWUWUOYLTQ-LBPRGKRZSA-N 311.382 -0.226 30 20 DBED N#Cc1cnccc1N1C[C@H](O)[C@H](CNC(=O)c2cn[nH]c2)C1 1067650586 AWEUGJADTAZQLO-OCCSQVGLSA-N 312.333 -0.097 30 20 DBED CCc1nc(C#N)cc(N2C[C@@H](NC(=O)C(N)=O)C(C)(C)C2)n1 1068133706 RFDUFYUWHBRHOT-SNVBAGLBSA-N 316.365 -0.273 30 20 DBED C#CCOCCC(=O)N[C@@H]1COC2(C1)CN(C(=O)C(F)F)C2 1068868842 SXNUYHRLLNJKDL-JTQLQIEISA-N 316.304 -0.223 30 20 DBED C[C@@H]1C[C@@H](Nc2nccnc2C#N)CN1C(=O)Cn1ncnn1 1069151682 IHGWNYJHXUREJD-NXEZZACHSA-N 313.325 -0.564 30 20 DBED Cc1nn[nH]c1C(=O)N1C[C@@H](N=c2cc[nH]c(C#N)n2)C[C@@H]1C 1069183729 OVXYFCCSQTWGOQ-WPRPVWTQSA-N 312.337 -0.088 30 20 DBED CN(C(=O)[C@@H]1CNC(=O)N1)C1CC(Nc2ccc(C#N)nn2)C1 1069792484 TWIMKTPPLKEHQM-ILDUYXDCSA-N 315.337 -0.569 30 20 DBED C#CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H]2COCCO2)C1 1069898541 PSWXCIZBLDNROD-HZSPNIEDSA-N 319.365 -0.942 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CCCN(C(=O)CCn2ccnn2)C1 1070660582 AQPDPOKOAMKGCT-NWDGAFQWSA-N 304.354 -0.065 30 20 DBED N#CCN1CCN([C@H]2CCCN(C(=O)C(F)F)C2)C(=O)C1 1071250956 ZJMUHLMYVFJOLK-JTQLQIEISA-N 300.309 -0.090 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CN(C(=O)C(F)F)C[C@@H]1C 1071425081 CTBDJQBLQQSAJT-IUCAKERBSA-N 301.293 -0.646 30 20 DBED C=C(C)CCC(=O)N[C@@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1C 1072162498 ZLHDTFGDUOIPHU-NWDGAFQWSA-N 306.370 -0.008 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(C(=O)c2[nH]nnc2C)C[C@@H]1C 1072494418 YIAPADKASWTKDT-CMPLNLGQSA-N 319.365 -0.270 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@@H]1C 1072636977 XMWYUOSPLAERKR-NWDGAFQWSA-N 305.378 -0.126 30 20 DBED C=CCCN1CCC2(C1)CN(C(=O)CN1CCOCC1=O)C2 1072818351 XCHLNSZNEMGTBO-UHFFFAOYSA-N 307.394 -0.044 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)c2cccn3nnnc23)C1 1073616304 USCPTNAUPPTDBZ-LBPRGKRZSA-N 314.349 -0.422 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)Cc3cnn(C)c3)C[C@H]21 1074195081 OTLSUBJNTQCTSG-HUUCEWRRSA-N 302.378 -0.103 30 20 DBED Cn1nccc1CC(=O)N1CC[C@H]2OCCN(CC#N)[C@H]2C1 1074226721 VPKBRTJVLCXKQP-UONOGXRCSA-N 303.366 -0.212 30 20 DBED N#CCN1CCO[C@H]2CCN(C(=O)Cn3ccccc3=O)C[C@@H]21 1074408664 ZSGJBEXRQQNWJV-KBPBESRZSA-N 316.361 -0.326 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(O)(CNC(=O)[C@H]2CCN(C)C2)CC1 1074706630 NPHQRKRLXKSOQI-STQMWFEESA-N 322.409 -0.433 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H](C)CCNC(=O)Cn1nccn1 1076694482 QHVVWWRGBXPOEH-FZMZJTMJSA-N 309.370 -0.384 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3ncncc3C2)C1 1077119183 CQGXRRDGUKQDHW-LERXQTSPSA-N 301.350 -0.734 30 20 DBED C[C@@H](CCNC(=O)c1cnn[nH]1)NC(=O)c1ccc(C#N)[nH]1 1077294104 KINQHBQKHGRRED-QMMMGPOBSA-N 301.310 -0.057 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN(C(N)=O)C2)C1 1077336586 DGLMLTYZQZNDJW-MGPQQGTHSA-N 324.425 -0.095 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCNC(=O)CC2)C1 1077448873 KYCVLHSLICLMEF-QJPTWQEYSA-N 315.801 -0.184 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)C1 1078124478 SMGBKOJTPKURFJ-GHMZBOCLSA-N 324.381 -0.946 30 20 DBED C[C@@H](CCNC(=O)[C@H](C)C#N)NC(=O)CCCS(N)(=O)=O 1078136722 UJPNKKBQRIAMJQ-ZJUUUORDSA-N 318.399 -0.774 30 20 DBED C=CCCCC(=O)NC1(CO)CCN(C(=O)CC(N)=O)CC1 1080974826 LNUONKYQPRJKFT-UHFFFAOYSA-N 311.382 -0.312 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@H](CNC(=O)C2=COCCO2)C1 1081218828 ZAJIAGHHVRAGMQ-NEPJUHHUSA-N 310.350 -0.224 30 20 DBED N#CCSCC(=O)NC[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1081287143 UDEVFMVWSWMKHX-CHWSQXEVSA-N 321.402 -0.408 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2ccn(C)c2)C1 1081408527 OQCAOJOYOLFWBF-UONOGXRCSA-N 321.377 -0.223 30 20 DBED C=CCCn1cc(C(=O)N[C@@H]2CN(CC#CC)C[C@@H]2O)nn1 1083848858 BLRNRTONDWBIQE-OCCSQVGLSA-N 303.366 -0.348 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)c2cn3nccc3nc2C)C1 1083902599 ZQADZNQTBYJYTF-OLZOCXBDSA-N 301.350 -0.001 30 20 DBED CC(=O)Nc1cccc(C(=O)N[C@@H]2CN(CC#N)C[C@@H]2O)c1 1084051030 ZKKXQAYCVSMYFF-KGLIPLIRSA-N 302.334 -0.057 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCCCC[C@H](NCC(N)=O)C1 1088329288 RZLFSEULMYNSNL-GJZGRUSLSA-N 320.437 -0.070 30 20 DBED C=CCN1CC[C@@H](N2CC[C@H](NC(=O)c3cnn[nH]3)[C@H]2C)C1=O 1088696125 OCNAPGDLAMSYDL-NTZNESFSSA-N 318.381 -0.216 30 20 DBED C#CCN1CC[C@H](NC(=O)c2ccc3c(c2)nnn3C)[C@H](O)C1 1090361691 QPCCBOGKSILPRV-SWLSCSKDSA-N 313.361 -0.234 30 20 DBED COc1cc(OC)nc(C(=O)N[C@@H]2CCN(CC#N)C[C@@H]2O)n1 1090362842 FDWFJXLYZOGKHN-ZJUUUORDSA-N 321.337 -0.818 30 20 DBED Cc1cc(N2C[C@@H](O)[C@H](NC(=O)CSCC#N)C2)ncn1 1090373283 BNWKRCXUBXKXJB-GHMZBOCLSA-N 307.379 -0.293 30 20 DBED CC[C@H](C(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1O)N(C)C 1090455522 YNZMQFCVSJGANC-MGPQQGTHSA-N 317.393 -0.041 30 20 DBED Cn1cc(CC(=O)N[C@@H]2CCN(CC#N)C[C@H]2O)c(Cl)n1 1090564795 BBEQBXAYRSDTBR-GHMZBOCLSA-N 311.773 -0.309 30 20 DBED C#CCN1CC[C@H](NC(=O)Cn2ccc(C)cc2=O)[C@@H](O)C1 1090610151 QGRBECBDUIWPAB-KBPBESRZSA-N 303.362 -0.659 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cnn(CCOC)c2)[C@H](O)C1 1090763431 IBKHHTLFAIEIFM-UONOGXRCSA-N 306.366 -0.672 30 20 DBED N#Cc1nc(=N[C@H]2C[C@@H](CNC(=O)Cn3cncn3)C2)cc[nH]1 1091345131 SPCKFNHZGWRMTR-PHIMTYICSA-N 312.337 -0.631 30 20 DBED COCCC(=O)N[C@H]1CCN(c2cnc(C#N)cn2)C[C@H]1O 1092129750 CBEQPLRFLWKNBW-NWDGAFQWSA-N 305.338 -0.559 30 20 DBED CC(C)OCC(=O)N[C@@H]1CCN(c2cncc(C#N)n2)C[C@H]1O 1092142629 KQPVHECDMOGNKG-CHWSQXEVSA-N 319.365 -0.171 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)C3=COCCO3)c3nccn32)C1 1092344050 MQLNUNHYJXRFPI-LLVKDONJSA-N 315.333 -0.133 30 20 DBED CC(=O)NCC(=O)NC1[C@H]2CN(c3ncc(C#N)cc3F)C[C@H]12 1093216265 YQQGMVRZHUTADQ-QWRGUYRKSA-N 317.324 -0.221 30 20 DBED C[C@H](CC(N)=O)C(=O)N[C@H]1[C@@H]2CN(c3ccnc(C#N)n3)C[C@@H]21 1093332266 ZMLLIXKYYUEJIY-RBQUTUCGSA-N 314.349 -0.589 30 20 DBED Cn1ncc2c(O)nc(NCCNC(=O)CSCC#N)nc21 1093526772 YQNPCZZKFUNUDN-UHFFFAOYSA-N 321.366 -0.146 30 20 DBED C[C@H](C(=O)NCCCN=c1cc[nH]c(C#N)n1)n1cncn1 1094371657 PDCZMBHDZNDNKW-SNVBAGLBSA-N 300.326 -0.459 30 20 DBED CN(c1cncc(C#N)n1)[C@H]1CCN(C(=O)CNC(N)=O)C1 1095091190 DVMNLEHIALOQRT-JTQLQIEISA-N 303.326 -0.946 30 20 DBED N#Cc1ccc(N[C@@H](CNC(=O)Cn2cnnn2)C2CC2)cn1 1096568497 YMXOHKKWOKEIGP-ZDUSSCGKSA-N 312.337 -0.053 30 20 DBED C[C@@H](CC(N)=O)C(=O)N[C@H]1C[C@@H](Nc2nccnc2C#N)C1 1097240854 VRZYOASPLSBOLM-LPEHRKFASA-N 302.338 -0.081 30 20 DBED C[C@H](CNC(=O)c1coc(C(N)=O)c1)N=c1cc[nH]c(C#N)n1 1098163195 UPONTHKRVNIYJR-MRVPVSSYSA-N 314.305 -0.308 30 20 DBED N#CCN(CCO)C1CCN(C(=O)CCCn2cncn2)CC1 1098526640 MTHMOHHDWWKBFC-UHFFFAOYSA-N 320.397 -0.133 30 20 DBED C[C@@H](CCNC(=O)C[C@H]1CCC(=O)N1)N=c1cc[nH]c(C#N)n1 1099299132 TXSIFCAZQMIDIJ-WDEREUQCSA-N 316.365 -0.254 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)CC2CCC2)[C@H](O)C1 1099754353 FQBHYQOTOYNHBW-ZIAGYGMSSA-N 307.394 -0.523 30 20 DBED C#CCN1CC[C@H](NC(=O)CNC(=O)c2ccoc2C)[C@H](O)C1 1099846702 ACEIFQOHYPQRRR-UONOGXRCSA-N 319.361 -0.498 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)CS(=O)(=O)CC)[C@@H](O)C1 1100129408 MBXFPXIXIYRVJR-NEPJUHHUSA-N 304.412 -0.451 30 20 DBED COC(=O)NCC(=O)NCCN(c1nccnc1C#N)C1CC1 1101295098 NBUSBKGFWFMYGR-UHFFFAOYSA-N 318.337 -0.211 30 20 DBED CNC(=O)NCC(=O)NCCN(c1cnc(C#N)cn1)C1CC1 1101460877 AVXDCAOWVSTYKB-UHFFFAOYSA-N 317.353 -0.638 30 20 DBED CN(CCNc1cncc(C#N)n1)C(=O)c1cc(=O)n(C)o1 1101563048 MKSHUGPUWYOYDP-UHFFFAOYSA-N 302.294 -0.176 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CCNC1=O)CNc1cncc(C#N)n1 1104157203 HSLFFAASGSGPOD-MWLCHTKSSA-N 302.338 -0.351 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)[C@]1(C)CCC(=O)N1 1104790299 VOSJYDDTRJTKNE-BONVTDFDSA-N 316.365 -0.302 30 20 DBED CC(C)[C@@H](CNC(=O)[C@H]1CNC(=O)N1)N=c1cc[nH]c(C#N)n1 1105278058 UFJNFLDSHUVVMB-NXEZZACHSA-N 317.353 -0.996 30 20 DBED CC#CCNCc1cn(C2CN(C(=O)CCCC(N)=O)C2)nn1 1105381363 YCUUELDAYZYABJ-UHFFFAOYSA-N 318.381 -0.570 30 20 DBED CN(CCN(C)c1nccnc1C#N)C(=O)[C@@H]1CC[C@H]1C(N)=O 1105521079 AVSYXRSRCAGKAL-GHMZBOCLSA-N 316.365 -0.246 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)Cc2cc[nH]n2)nc1 1105762176 LYYJCNBCSXDLKS-LBPRGKRZSA-N 300.322 -0.192 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNc1ncnc2c1cnn2C 1105774840 WHKCHLBFKRLEDV-IUCAKERBSA-N 303.326 -0.588 30 20 DBED CC(=O)N(C)CC(=O)NC[C@@H](O)CNc1ccc(C#N)c(C)n1 1105778086 LRZWNKLGIKMCMN-ZDUSSCGKSA-N 319.365 -0.371 30 20 DBED Cc1ncoc1C(=O)NC[C@H](O)CNc1cnc(C#N)cn1 1105809212 XRBADYCYPPFFHR-SNVBAGLBSA-N 302.294 -0.153 30 20 DBED Cc1cc(C(=O)NC[C@H](O)CNc2cnc(C#N)cn2)cnn1 1105812484 DKNNZJMNBVOXAC-GFCCVEGCSA-N 313.321 -0.351 30 20 DBED CO[C@H](C(=O)NC[C@@H](O)CNc1ccc(C#N)nn1)C1CC1 1105832659 FVJGXFZRERLDED-AAEUAGOBSA-N 305.338 -0.338 30 20 DBED Cc1cc(=NC[C@H](O)CNC(=O)[C@H](O)C(C)C)c(C#N)c[nH]1 1105839069 LWSAYQIYLNOCDK-GXTWGEPZSA-N 306.366 -0.411 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)Cn2ccnc2)cn1 1105882621 JGHVIOIBLOPGIP-CYBMUJFWSA-N 300.322 -0.261 30 20 DBED C#Cc1ccc(C(=O)NC[C@H](O)CNc2ccc(C#N)nn2)cn1 1105909725 MKQCQCOPLWIADI-CQSZACIVSA-N 322.328 -0.073 30 20 DBED Cc1nocc1C(=O)NC[C@@H](O)CNc1cnc(C#N)cn1 1106083448 NUJQSGSCADYLNC-JTQLQIEISA-N 302.294 -0.153 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@@H](C)[C@H](CNCc2nc(O)n[nH]2)C1 1106116665 KEMXAMGVOGKJPI-GRYCIOLGSA-N 321.381 -0.267 30 20 DBED N#Cc1cnc(NC/C=C/CNC(=O)CNC(=O)C2CC2)cn1 1107060187 FFORZQNBVNURJD-OWOJBTEDSA-N 314.349 -0.041 30 20 DBED CN1CCC[C@H]1C(=O)NC/C=C\CN=c1cc[nH]c(C#N)n1 1107117323 RERKUPBDCTXIBY-DLGQBQFBSA-N 300.366 -0.051 30 20 DBED CC#CCN1CC(n2cc(CNC(=O)[C@@H](COC)OC)nn2)C1 1107207681 BHUFZHUGAREIHQ-CQSZACIVSA-N 321.381 -0.564 30 20 DBED N#Cc1cnc(NC/C=C/CNC(=O)C[C@@H]2CCNC2=O)cn1 1107375144 NALCNJFJKCBALN-GXFZAYBSSA-N 314.349 -0.041 30 20 DBED C[C@H](CNc1cnc(C#N)cn1)NC(=O)[C@H]1COCCN1C 1107694151 JLZOSHKMBIZPST-ZYHUDNBSSA-N 304.354 -0.405 30 20 DBED C[C@H](CNc1nccnc1C#N)NC(=O)C[C@H]1CCC(=O)N1 1107838356 BQWRZRYYXTWQDY-NXEZZACHSA-N 302.338 -0.066 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)[C@H](NC(N)=O)C(C)(C)C)C1 1108341019 PUHYOKRPBLZVHQ-LRDDRELGSA-N 324.425 -0.090 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)CN(C)c1nc(C)ns1 1108941298 SOZAFMUEIFZVNJ-SECBINFHSA-N 309.395 -0.073 30 20 DBED C[C@H](CN(C)c1ccc(C#N)nn1)NC(=O)[C@H]1CCC(=O)N1C 1109187999 XJBQFURZXDDEIM-ZYHUDNBSSA-N 316.365 -0.090 30 20 DBED C[C@@H](CN(C)c1ccnc(C#N)n1)NC(=O)[C@H](C)CC(N)=O 1109205902 PWXSFVVXSZVZAM-ZJUUUORDSA-N 304.354 -0.199 30 20 DBED C[C@H](NC(N)=O)C(=O)N[C@H](CNc1cncc(C#N)n1)C1CC1 1109843355 YKVCDVLGLBVHRC-GZMMTYOYSA-N 317.353 -0.288 30 20 DBED C[C@@H](C#N)C(=O)N[C@]1(C)CCN(c2ccc3nnnn3n2)C1 1110735498 FSHFLCCVCCRFPV-TVQRCGJNSA-N 300.326 -0.236 30 20 DBED C#CCC1(C(=O)N2CCN(C[C@H](O)COC)CC2)CCOCC1 1112947919 POVZDMNNRBOJMW-HNNXBMFYSA-N 324.421 -0.042 30 20 DBED CC#CCN1CCN(C(=O)[C@H](CCC)S(N)(=O)=O)CC1 1113151843 SDKGOHLFRFSVMZ-LBPRGKRZSA-N 301.412 -0.389 30 20 DBED COCC#CCN1CCN(C(=O)C(C)(C)N2CCOCC2)CC1 1113434338 AWAHGHOGAFSROV-UHFFFAOYSA-N 323.437 -0.109 30 20 DBED CC(C)NC(=O)CN1C[C@H]2C(NC(=O)CSCC#N)[C@@H]2C1 1113891296 PFXCZNWHWODYJD-GHMZBOCLSA-N 310.423 -0.186 30 20 DBED CCN1CC[C@@H](N2C[C@H]3[C@H](NC(=O)CSCC#N)[C@H]3C2)C1=O 1113896709 HEZBHGUBLBFIBS-CZXHOFHRSA-N 322.434 -0.090 30 20 DBED C#CCO[C@H](C)C(=O)NC1[C@H]2CN(CC(=O)N(C)CC)C[C@H]12 1114271666 ZGPAZVBMRXYVSE-AGIUHOORSA-N 307.394 -0.451 30 20 DBED N#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)C3(F)CCOCC3)[C@H]2C1 1114381446 VTMOXMUHSHVXIG-PJXYFTJBSA-N 324.356 -0.809 30 20 DBED CCOCC1(C(=O)NC2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]23)CC1 1114490423 BSNBWFGEIGILGK-VXGBXAGGSA-N 320.393 -0.511 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)c3cc(C(N)=O)co3)[C@@H]2C1 1114824949 YHYXPZDEHFNDKH-VXGBXAGGSA-N 317.345 -0.312 30 20 DBED C=CCCOCC(=O)N[C@H]1[C@@H]2CN([C@@H](C)c3nnnn3C)C[C@@H]21 1115330772 SWMNIGFARKLLNP-CIQGVGRVSA-N 320.397 -0.090 30 20 DBED CN1CCCN(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1 1116040135 MMKQSLDXDKDBNF-BUHFOSPRSA-N 321.381 -0.140 30 20 DBED N#CCNC(=O)CNC(=O)C(=O)Nc1cccc2ccncc12 1117461010 NZWMRNQTNADYJQ-UHFFFAOYSA-N 311.301 -0.071 30 20 DBED C=C(C)COCCNC(=O)C(=O)N1C[C@H](C)O[C@H](CO)C1 1117605700 RUUKCHJBGCQEFS-RYUDHWBXSA-N 300.355 -0.697 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N1C[C@@H]2CN(C(C)=O)C[C@@H]2C1 1119556785 LEVVKMISCBJZOI-XQQFMLRXSA-N 309.366 -0.760 30 20 DBED N#Cc1cnc(N[C@@H](CO)CNC(=O)Cc2cncnc2)cn1 1121413027 YHTLQBLLDYVFAF-GFCCVEGCSA-N 313.321 -0.730 30 20 DBED CCOCCOCC(=O)NC[C@H](CO)N=c1cc[nH]cc1C#N 1121678850 WPLCKALJMKAXNK-CYBMUJFWSA-N 322.365 -0.683 30 20 DBED Cc1ncc(C(=O)NC[C@H](CO)Nc2ccc(C#N)nn2)n1C 1122405796 VVOVDWFGOIQUKB-LLVKDONJSA-N 315.337 -0.407 30 20 DBED C=C(C)Cn1c(C(N)=O)nnc1N1CCN2CCOC[C@H]2C1 1122532205 VOHZMJQGWPANRZ-LLVKDONJSA-N 306.370 -0.526 30 20 DBED COC[C@@H](C)C(=O)N(C)C[C@H](O)CN=c1cc[nH]cc1C#N 1124195764 AJSUFAAHZXSJPR-DGCLKSJQSA-N 306.366 -0.111 30 20 DBED C=C[C@@](C)(O)CC(=O)N(C)C[C@@H](O)CN=c1cc[nH]cc1C#N 1124265996 BIEKCTFJYGBXNM-XJKSGUPXSA-N 318.377 -0.067 30 20 DBED CCN(CC)CC(=O)N(C)C[C@@H](O)CNc1cnc(C#N)cn1 1124364318 GJQKKTDGDBOALH-ZDUSSCGKSA-N 320.397 -0.079 30 20 DBED Cc1c[nH]c(C(=O)N(C)C[C@H](O)CN=c2cc[nH]c(C#N)n2)n1 1124827815 DNCCUCPVULYRCW-SNVBAGLBSA-N 315.337 -0.653 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCNC[C@H](O)COCCOC 1126366125 RGKQRAYXAYNVFS-GXTWGEPZSA-N 304.387 -0.957 30 20 DBED CC(C)C#CC(=O)NCCNCC(=O)N1CCOC[C@H]1C1CC1 1126815888 OUUSSUBUUYIZNR-HNNXBMFYSA-N 321.421 -0.011 30 20 DBED C#CCO[C@@H](C)C(=O)NCCNCC(=O)NCc1ccco1 1127045504 CHQPNLRIDZRAJJ-LBPRGKRZSA-N 307.350 -0.360 30 20 DBED CNS(=O)(=O)CCC(=O)NCCNCc1ccc(C#N)cc1 1127092297 BKKFWWUCSCKWBV-UHFFFAOYSA-N 324.406 -0.297 30 20 DBED CC#CCN1CCn2ncc(CNC(=O)Cn3cnnn3)c2C1 1128224480 SSXPBWVXTDWWOZ-UHFFFAOYSA-N 314.353 -0.975 30 20 DBED C#CCC1(C(=O)NCCN[C@H]2CCCNC2=O)CCOCC1 1129117098 RCJKNQOMCTVSQE-ZDUSSCGKSA-N 307.394 -0.209 30 20 DBED CN(C)c1ccc(C(=O)NCCNCC(=O)NCC#N)c(F)c1 1129386548 NCFJLHXXYXZJIN-UHFFFAOYSA-N 321.356 -0.149 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1cnc2nccnc2c1 1129630364 ZNVDGXXKZQAVQA-UHFFFAOYSA-N 314.349 -0.354 30 20 DBED N#CCN1CC[C@H](Oc2cnccc2CNC(=O)C(N)=O)C1 1130323580 NPVPDJGWGPIMLG-NSHDSACASA-N 303.322 -0.840 30 20 DBED N#CCNC(=O)CNCCNC(=O)[C@@]12CCCC[C@@H]1OCC2 1131211379 CUBCZYHGQOMRLN-SWLSCSKDSA-N 308.382 -0.319 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)C[C@H](C)NCCOCCO 1134129988 ARXPALSFNFYIRB-QWHCGFSZSA-N 313.398 -0.992 30 20 DBED C[C@@H](C[C@H](C)NC(=O)CN(C)S(=O)(=O)N(C)C)NCC#N 1134351316 FSLMAZCHQSEYBL-QWRGUYRKSA-N 319.431 -0.879 30 20 DBED CCN(CCC#N)C(=O)CN[C@@H](C)C[C@@H](C)NC(=O)C(N)=O 1135339263 BRVWQBGWUJOSEK-WDEREUQCSA-N 311.386 -0.893 30 20 DBED CC(C)[C@H]1C[C@H](C(=O)NCCNCC(=O)NCC#N)CCO1 1146768570 DNMDEDBHVXSAMV-CHWSQXEVSA-N 310.398 -0.217 30 20 DBED C#CCN1CCC2(C1)CN(C(=O)CN(C)CC(=O)NC(C)C)C2 1147847383 ZMDKNMLEAFZZHJ-UHFFFAOYSA-N 320.437 -0.390 30 20 DBED C#CCNC(=O)CN1CCCO[C@@H](CNC(=O)C=C(C)C)C1 1149116513 KPBOFNIAWOMUDH-AWEZNQCLSA-N 307.394 -0.091 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)Cn2cccc(C)c2=O)C1 1149720844 GJCSOZAYPKECGU-HNNXBMFYSA-N 317.389 -0.003 30 20 DBED COc1ccc(OCC(=O)NCCNCC(=O)NCC#N)cc1 1150872380 DIFWRCROYOFHDV-UHFFFAOYSA-N 320.349 -0.580 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)COC[C@@H]1CCCO1 1153684070 FXLFUXDQAINOFX-OLZOCXBDSA-N 311.382 -0.974 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@H](CC(C)C)C(N)=O 1153782591 QMJMCULGQVUZBM-VXGBXAGGSA-N 312.414 -0.470 30 20 DBED C=CCNC(=O)CNCCCNC(=O)CCNC(=O)[C@H]1C[C@H]1C 1159231189 RMFNOWAKEVYNIM-OLZOCXBDSA-N 324.425 -0.453 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)CC)(COC)CC1 1162036212 JCOSEQJDECFLCI-UHFFFAOYSA-N 309.410 -0.009 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)CCN(C)CCC 1171731749 OGKNDFGNBRBAHT-AWEZNQCLSA-N 310.442 -0.048 30 20 DBED COCC#CCN[C@H]1CCN(C(=O)[C@@H]2CN(C)C(=O)N2)[C@H]1C 1179300417 MVGPQYPHPRGYBR-AVGNSLFASA-N 308.382 -0.761 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H](OCC)C(C)C)C1 1182465618 AROFIHJYMOGWEV-UKRRQHHQSA-N 309.410 -0.013 30 20 DBED CC#CCN[C@@H]1CCN(C(=O)[C@H](CCC)S(N)(=O)=O)C1 1184594753 VWOPODYFJKRVOR-NEPJUHHUSA-N 301.412 -0.343 30 20 DBED C#CCNC[C@@H]1CCN(C(=O)Cn2ncn(C)c2=O)C[C@H]1C 1184682491 DTMMPXCKOSEJHH-OLZOCXBDSA-N 305.382 -0.711 30 20 DBED C=CCOCCN[C@@H]1CCN(C(=O)CC[C@H]2NC(=O)NC2=O)C1 1187684504 NMINUDWEFWPCHA-VXGBXAGGSA-N 324.381 -0.632 30 20 DBED COCC#CCN1C[C@@H]2CCN(C(=O)[C@H]3CCCNC3=O)[C@@H]2C1 1188263089 FLJYIFBHGXPNPL-SOUVJXGZSA-N 319.405 -0.305 30 20 DBED C=CCCCN(C)[C@H]1CCN(C(=O)CNS(=O)(=O)NC)C1 1191541828 CEPKIXZWLVYPML-LBPRGKRZSA-N 318.443 -0.461 30 20 DBED COCC#CCN(C)[C@@H]1CCN(C(=O)c2cn(C)c(O)n2)C1 1192152760 IWUGLODEOQIZJE-GFCCVEGCSA-N 306.366 -0.078 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)[C@@H]2CCO[C@H]2C=C)C1 1192426412 PGOBQJSAHUWHBU-KFWWJZLASA-N 319.405 -0.140 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2cc(C)n(C)n2)C[C@H]1O 1192891537 NOAIOKSULSHNMC-NWANDNLSSA-N 320.393 -0.572 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)CCCC(=O)NC)CC1 1195588445 HWFYZTOWIWOZJO-UHFFFAOYSA-N 324.425 -0.261 30 20 DBED C#CCNC(=O)CC(=O)N1CCCN([C@@H](C)C(=O)N(C)C)CC1 1195588874 XVRMBPITSGHDST-ZDUSSCGKSA-N 322.409 -0.863 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)CN2CCC[C@@H]2C)C1 1196167725 GDRHYQUUJPNTDY-RRFJBIMHSA-N 311.426 -0.165 30 20 DBED C=CCCn1cc(C(=O)N[C@@H]2CN(CCOCC)C[C@H]2O)nn1 1196797545 CSKQIFNKZKSNKP-TZMCWYRMSA-N 323.397 -0.334 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)[C@@H](CCC)NC(N)=O)C1 1198151684 PWBBMRDNHPGFBF-JHJVBQTASA-N 312.414 -0.049 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)[C@H](C)C2CCOCC2)C1 1199583804 WETZNZZLDUATON-FVQBIDKESA-N 324.421 -0.140 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)[C@H]2CN(C)CCO2)CC1 1199943492 LICHMSLURATUJV-CQSZACIVSA-N 324.425 -0.800 30 20 DBED C=C(Cl)CNC[C@@H]1CN(C(=O)CNC(=O)NC)CCCO1 1200642051 RSRZLOVVQGPLQX-LLVKDONJSA-N 318.805 -0.125 30 20 DBED CCn1nc(C)c(C(=O)N2CCCO[C@H](CNCC#N)C2)n1 1202237095 XHDUWNYAZMGGLS-GFCCVEGCSA-N 306.370 -0.049 30 20 DBED C=CCOCC(=O)N[C@H]1C[C@H](NCC(=O)NCC#N)C12CCC2 1202635020 VYMJCGHHYLRABH-STQMWFEESA-N 320.393 -0.154 30 20 DBED C#CCNC(=O)[C@@H](C)NCC1CCN(C(=O)[C@H]2CCOC2)CC1 1204705972 XCYLGZIWCNTDKT-HIFRSBDPSA-N 321.421 -0.011 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN([C@@H](C)c2nnnn2C)C[C@H]1C 1206960243 ZSSPNOIPDDQLJN-FRRDWIJNSA-N 320.397 -0.253 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)c2cnn(C)c2)C1 1207243175 SBUNQZQSZDPANB-CYBMUJFWSA-N 305.382 -0.084 30 20 DBED C=CCNC(=O)[C@H](C)N[C@H]1CCCN(C(=O)CN(C)C(C)=O)C1 1207440313 APNFHPTWWDPHSD-JSGCOSHPSA-N 324.425 -0.264 30 20 DBED COCC#CCN1C[C@@H](NC(=O)C[C@@H]2CCNC2=O)[C@H](C)C1 1207531840 SMLAYFQTOMOXIO-HZSPNIEDSA-N 307.394 -0.401 30 20 DBED COCC#CCN1C[C@@H](NC(=O)[C@@H]2CCN(C)C(=O)C2)[C@H](C)C1 1207722981 WCICUXZSNUZBNM-RBSFLKMASA-N 321.421 -0.059 30 20 DBED COC[C@@H](C)CC(=O)N1CCC[C@H](NCC(=O)NCC#N)C1 1210402578 KGGHIFRZQCEBQU-STQMWFEESA-N 310.398 -0.121 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)[C@@H]2CC2(F)F)[C@H](OC)C1 1212219131 ZOFRXYVNPHSFPZ-HBNTYKKESA-N 315.320 -0.794 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)C#CC2CC2)[C@H](OC)C1 1212244122 FUVRQIKVFPAQKC-ZIAGYGMSSA-N 305.378 -0.483 30 20 DBED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)c1c[nH]cc1C 1213857226 JFWIJLPHBCPLPB-CHWSQXEVSA-N 319.365 -0.608 30 20 DBED C=CCOCC(=O)N1C[C@@H](N[C@H]2CCC(=O)NC2=O)[C@H](C)C1 1214331608 IDUDMZGSFQBRFI-GRYCIOLGSA-N 309.366 -0.569 30 20 DBED C=C(C)CCN[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@H]1C 1215009910 GFRSQSBZINZJOE-CHWSQXEVSA-N 307.398 -0.016 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2ccn(C)c2)C1 1219458166 SAYWYFDUFUTWCE-OLZOCXBDSA-N 306.366 -0.898 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(Cc2csnn2)C[C@@H]1O 1219527494 ROABWUOYFIPMCI-NTZNESFSSA-N 312.395 -0.474 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)C(=O)NCC(F)F)C1 1219926521 VKHIXJUNUYDONY-SFYZADRCSA-N 311.716 -0.719 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)c2cn(CC)nn2)C1 1220642845 LPOOJTRMFAPGPP-YPMHNXCESA-N 309.370 -0.725 30 20 DBED C=CCN1CCC(CNC(=O)CN2CCC(=O)NC2=O)CC1 1225095784 ZBMBJNJWQVITGF-UHFFFAOYSA-N 308.382 -0.058 30 20 DBED C=CCN1CC[C@@H](N2CCC(NC(=O)CC(N)=O)CC2)C1=O 1226732214 MBQZOUKYOBNPMC-GFCCVEGCSA-N 308.382 -0.771 30 20 DBED C#CCOCCC(=O)NC1CCN(CCN2CCNC2=O)CC1 1227322890 GMXMNQQBMDQJRP-UHFFFAOYSA-N 322.409 -0.368 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)C(C)(C)NC(C)=O)CC1 1229633704 HYJPQESMCNFKJU-UHFFFAOYSA-N 324.425 -0.216 30 20 DBED Cc1ccc(C(=O)N(C)C[C@H]2CCN2CC(=O)NCC#N)nn1 1234163073 XLGGCTOZXRUOPH-GFCCVEGCSA-N 316.365 -0.429 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C[C@H]1CCN1CC(=O)NC1CC1 1234225595 OFQWKMVVRFISDZ-TZMCWYRMSA-N 307.394 -0.164 30 20 DBED CS(=O)(=O)C1CN(S(=O)(=O)c2ccc(C#N)cc2)C1 1258083316 MCYAFKDULPLBQP-UHFFFAOYSA-N 300.361 -0.024 30 20 DBED CNC(=O)c1cccc(NC(=O)C(=O)N2CCO[C@H](C#N)C2)c1 1318305766 FCNAKYPVHXBXMD-GFCCVEGCSA-N 316.317 -0.264 30 20 DBED C#CCCN1CCN([C@H](C)C(=O)N2CCC(C(N)=O)CC2)CC1 1320658385 BBKIJFLXPGDGJQ-CQSZACIVSA-N 320.437 -0.260 30 20 DBED C=C[C@H](COC)NC(=O)N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1321256461 KTSHYPZKIQEDLC-GHMZBOCLSA-N 310.354 -0.135 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)NCCC(=O)NC(C)(C)C 1322484199 DBSDRXWZHKCLGC-UHFFFAOYSA-N 305.378 -0.108 30 20 DBED C#C[C@@H](NC(=O)C(=O)N(C)CCCC(=O)NC)[C@H]1CCCO1 1323528566 RCHSQWUZDLZYJH-VXGBXAGGSA-N 309.366 -0.732 30 20 DBED CNC(=O)CNC(=S)NN=Cc1c(Cl)nc(OC)n1C 1324201801 LGQDZHGMCCQVHB-UHFFFAOYSA-N 318.790 -0.374 30 20 DBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCC(F)F 1324673033 QTTIFLOVNLFVAG-UHFFFAOYSA-N 314.296 -0.364 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCCC12CCN(C)CC2 1329100654 WNPTVRTXMUUHDW-UHFFFAOYSA-N 307.394 -0.161 30 20 DBED C[C@H](C1CC1)n1cc(NC(=O)C(=O)NCC(=O)NCC#N)cn1 1329191798 TUCFUGCCHZUPNE-SECBINFHSA-N 318.337 -0.451 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)NCC2=CCNCC2)CCN1C1CC1 1332305108 ODUZPLBJEOVRCA-AWEZNQCLSA-N 317.393 -0.779 30 20 DBED N#CCNC(=O)CNC(=O)C(=O)Nc1ccc2nccn2c1 1333167524 NEAMMTCWNTVHAL-UHFFFAOYSA-N 300.278 -0.971 30 20 DBED C#C[C@H](C)NC(=O)c1ccc(=O)n(CC(=O)N[C@H](C)C#C)n1 1338449723 SWDOVDLJOYSKCZ-MNOVXSKESA-N 300.318 -0.867 30 20 DBED C#CCN1CCN(c2nnc([C@@H](O)COC)n2CC=C)CC1 1339932426 XYPBTADLXMBIML-ZDUSSCGKSA-N 305.382 -0.101 30 20 DBED COC1CC(C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)C1 1341851259 TVWMFXCYDDWWCU-VQXHTEKXSA-N 314.363 -0.623 30 20 DBED CC1(C)CN(C(=O)Cn2cc(C#N)c(O)nc2=O)CC[C@H]1O 1362354963 POYDFCVLYZTJIF-SNVBAGLBSA-N 306.322 -0.560 30 20 DBED Cn1c(=O)[nH]c(N2CCN(C(=O)C(C)(C)C)CC2)c(C#N)c1=O 1364136168 UQRMJCVVFZPQQP-UHFFFAOYSA-N 319.365 -0.360 30 20 DBED CC[C@@H](CNS(C)(=O)=O)NC(=O)Nc1nn(C)cc1C#N 1365489395 UUUZLESTQIUPGS-VIFPVBQESA-N 314.371 -0.259 30 20 DBED C[C@H](CN(C)C(=O)c1cc(C#N)c[nH]1)NC(=O)[C@@H]1COC(=O)N1 1370471781 FIOOMONIWAFNBQ-KCJUWKMLSA-N 319.321 -0.429 30 20 DBED N#Cc1cc(C(=O)NC[C@H](O)CNC(=O)c2ccc[nH]2)c[nH]1 1376500760 SELRDCIQCBASNX-NSHDSACASA-N 301.306 -0.265 30 20 DBED CC(C)c1cc(C(=O)NC[C@H](O)CNC(=O)[C@H](C)C#N)nn1C 1392102250 QXBMELBTXFHHDD-GHMZBOCLSA-N 321.381 -0.090 30 20 DBED C[C@H](CNC(=O)c1cn(C)nn1)NC(=O)c1ccc(C#N)[nH]1 1397429876 LWTXDFNBYHZSBC-MRVPVSSYSA-N 301.310 -0.437 30 20 DBED COC[C@H](O)CN(CCO)C1CCN(C(=O)[C@@H](C)C#N)CC1 1397809538 HCZMXKQRRUMAQL-GXTWGEPZSA-N 313.398 -0.561 30 20 DBED CCN(CCNC(=O)[C@H](C)C#N)C(=O)[C@H]1CCN(C)C(=O)C1 1415720542 NMICEURNEGYEBU-NEPJUHHUSA-N 308.382 -0.021 30 20 DBED C[C@@H](CNC(=O)c1cnc(N(C)C)cn1)NC(=O)[C@@H](C)C#N 1416938992 CUNXCSPTBGIUBZ-UWVGGRQHSA-N 304.354 -0.063 30 20 DBED CN(C[C@@H](O)CNC(=O)c1c[nH]c(C#N)c1)C(=O)c1cc[nH]n1 1428180309 XYTHEWJESLNTDU-NSHDSACASA-N 316.321 -0.528 30 20 DBED C[C@H](C(=O)N[C@H]1C[C@@H]2CCCCN2C1=O)n1cnc(C#N)n1 1433495041 BFDOAWDMWYHWNE-VWYCJHECSA-N 302.338 -0.020 30 20 DBED C[C@H]1OCCN(C(=O)CCn2cc(C#N)c(O)nc2=O)[C@@H]1C 1446519139 UMBMERPGAZLPON-NXEZZACHSA-N 306.322 -0.154 30 20 DBED C=C(Cl)CN1CC(O)(CNC(=O)[C@H]2CC(=O)N(CC)C2)C1 1446853847 HOBHBTMEMDORPI-NSHDSACASA-N 315.801 -0.230 30 20 DBED COCCn1ccc(C(=O)N2CC(CNC(=O)[C@H](C)C#N)C2)n1 1450691318 UVECKJBZVRKINF-LLVKDONJSA-N 319.365 -0.123 30 20 DBED CO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1NC(=O)CN(C)C1CCC1 1452720751 LKIQQAWLSPASQC-MRVWCRGKSA-N 322.409 -0.028 30 20 DBED CCS(=O)(=O)CC(=O)NC1(CNC(=O)[C@H](C)C#N)CC1 1459100807 XSWAURSHCIAIEC-SECBINFHSA-N 301.368 -0.654 30 20 DBED C=C(Cl)CNC[C@@H](C)CNC(=O)[C@H]1CCS(=O)(=O)N1 1482170042 HRDWGXBORJSQEC-PSASIEDQSA-N 309.819 -0.228 30 20 DBED Cn1cnc(C(=O)NC[C@H](O)CNC(=O)c2ccc(C#N)[nH]2)c1 1533227739 DBSKVXUTRMVHGV-SNVBAGLBSA-N 316.321 -0.859 30 20 DBED N#C[C@]1(F)CCN(C(=O)NCCOCCOCC(=O)O)C1 1574481041 SZUMEZKYTSHCDX-GFCCVEGCSA-N 303.290 -0.249 30 20 DBED C[C@H]1CS(=O)(=O)CCN1C(=O)C1CC2(CNC[C@@H]2C#N)C1 1576860364 ILLSFZHNCKXPTL-ATWGWHJKSA-N 311.407 -0.229 30 20 DBED N#C[C@@H]1CNCC12CC(C(=O)N1C[C@H](CO)[C@@H](CCO)C1)C2 1580042291 QBQRCGNJKBXNLK-FQMXKAEGSA-N 307.394 -0.425 30 20 DBED C#CCCNC[C@@H](O)CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 1588347798 YMTZQMFGPILMRN-SNVBAGLBSA-N 317.353 -0.759 30 20 DBED C#CC[C@@H](NC(=O)Cn1c(O)nc2ccccc2c1=O)C(=O)O 1588407964 SHORTSJXFYOLBZ-LLVKDONJSA-N 315.285 -0.305 30 20 DBED C=C(CO)C(=O)N1CCc2c(sc(N)c2-c2nn[nH]n2)C1 1588444085 JVQGBSVPAXVPSZ-UHFFFAOYSA-N 306.351 -0.056 30 20 DBED C=CCOC[C@H](NS(=O)(=O)N(C)C[C@@H](C)C#N)C(=O)O 1588866287 LFOXYORXBYIOAF-UWVGGRQHSA-N 305.356 -0.432 30 20 DBED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CC(C(=O)O)C2)c1 1594628694 LDYUSPAOAYPXLQ-UHFFFAOYSA-N 323.330 -0.620 30 20 DBED CN(C)C(=O)CN1CCN(c2ccc(C(=O)O)nc2C#N)CC1 1598130201 UANPCLBAQJQIAV-UHFFFAOYSA-N 317.349 -0.138 30 20 DBED COC(=O)[C@H](CC(=O)O)NS(=O)(=O)CC1(C#N)CCC1 1598695405 SVMZZSWHIXAYBP-QMMMGPOBSA-N 304.324 -0.384 30 20 DBED N#Cc1nc(=NC2CCN(C(=O)[C@H]3C[C@H]3C(=O)O)CC2)cc[nH]1 1601134726 ZSNOKZYEGMLJKL-WDEREUQCSA-N 315.333 -0.106 30 20 DBED C=C(CCC(=O)O)C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)OC 1602778153 LBPSCNLLFUIBSR-VIFPVBQESA-N 319.335 -0.794 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@H](C(=O)O)[C@@H]2C)C1=O 1609373942 XANFSBGVAIWGMA-DTWKUNHWSA-N 323.305 -0.715 30 20 DBED O=C(C#CC1CC1)N[C@H]1CCN(CCCN2C(=O)CNC2=O)C1 1660983855 DBWXQUNARXMCCB-ZDUSSCGKSA-N 318.377 -0.468 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)CCCNC(=O)C[C@H]1CCOC1 1712939101 ARGGXXFZQWSZRC-ZIAGYGMSSA-N 309.410 -0.011 30 20 DBED C#CCNC(=O)CNC[C@H]1CCCCN1C(=O)c1cnns1 1714123863 YTHJOBRGRDXSPP-LLVKDONJSA-N 321.406 -0.128 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1C[C@H](NC(=O)C2CCOCC2)C1 1752613987 URCAHPXLLSZHCZ-UBHSHLNASA-N 307.394 -0.212 30 20 DBED CCN(CCNC(=O)[C@@H](F)C(F)(F)F)CC(=O)NCC#N 1753082361 HPLBZZKWZFUNEX-SECBINFHSA-N 312.267 -0.035 30 20 DBED N#CCNC[C@H]1CCC[C@@H]1NC(=O)Cn1ccc(O)nc1=O 1753888078 HXRMZXRBQRGUSO-MNOVXSKESA-N 305.338 -0.653 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@H](O)CNCc1cc(C)n(C)n1 1753909579 JCXVXZYVBYCUSG-UKRRQHHQSA-N 310.398 -0.378 30 20 DBED C#CCNC(=O)[C@H](C)NCCN(CC)C(=O)Cn1cncc1C 1754057546 XWZOECPRRWKCLQ-AWEZNQCLSA-N 319.409 -0.232 30 20 DBED C[C@@H](CNCC(=O)NCC#N)NC(=O)c1ccc2[nH]ccc2n1 1754276636 ZSOXDRWHRWAXJY-JTQLQIEISA-N 314.349 -0.089 30 20 DBED Cc1cc(C(=O)N(C)CCCNCC(=O)NCC#N)c(C)nn1 1754374608 UXJSPBUXGCLDGP-UHFFFAOYSA-N 318.381 -0.215 30 20 DBED C#CCNC(=O)CNC1(CNC(=O)c2ccnn2CCC)CC1 1754515055 NUOPTQGMDANJDD-UHFFFAOYSA-N 317.393 -0.106 30 20 DBED C=CCNC(=O)[C@@H](C)NC1(CNC(=O)c2cnc(O)n2C)CC1 1754521840 UOGRVEUWKXMHLQ-SNVBAGLBSA-N 321.381 -0.332 30 20 DBED C=CCOCCN1CC2(C1)CN(C(=O)c1cnnn1C)CCO2 1755049492 LTLSWFUSKLCZPB-UHFFFAOYSA-N 321.381 -0.456 30 20 DBED CC#CCNCC1CC(NC(=O)COCc2nncn2C)C1 1755219571 XOGXCEXBYWDXRS-UHFFFAOYSA-N 305.382 -0.161 30 20 DBED COCC#CCN1C[C@H]2C(CNC(=O)CNC(=O)OC)[C@@H]2C1 1755417739 JJDJPHBGOOARQE-STQMWFEESA-N 309.366 -0.714 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H](C)CN(C)C(=O)Cc1n[nH]c(C)n1 1755586955 SNPLDKKQWIGWRW-QWRGUYRKSA-N 322.413 -0.217 30 20 DBED C[C@@H]1[C@H](NCC(=O)NC(N)=O)CCN1C(=O)CSCC#N 1755662536 LUKDSKXBBKHNRH-RKDXNWHRSA-N 313.383 -0.983 30 20 DBED C#CCOCCC(=O)N1C[C@H]2[C@@H](NCC(=O)NC)CCC[C@H]2C1 1755707070 PRQAGOKYNJUHJE-ZNMIVQPWSA-N 321.421 -0.011 30 20 DBED CC#CCCCC(=O)NC[C@@H](CO)NC(=O)C(=O)NCC1CC1 1756542293 FCBQMOXRKZFQMA-ZDUSSCGKSA-N 323.393 -0.701 30 20 DBED C=CCCCC(=O)N[C@@H]1CN(C(=O)[C@@H]2COC(=O)N2)C[C@H]1O 1757028808 PGTUQHQAOVYPRS-OUAUKWLOSA-N 311.338 -0.861 30 20 DBED C#CCCCC(=O)N1C[C@@H](NC(=O)[C@H]2COC(=O)N2)[C@H](C)C1 1757067478 YAUTVZIUDJADQZ-IJLUTSLNSA-N 307.350 -0.139 30 20 DBED CNC(=O)[C@H]1CN(S(=O)(=O)c2cccnc2C#N)CCO1 1771669961 CXDUEIHXHRCMEQ-SNVBAGLBSA-N 310.335 -0.911 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](C)N(C)C(C)=O)CCO2 1783048706 HBGXSKYDMXRIKD-BLLLJJGKSA-N 321.377 -0.684 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)C(=O)NCC(C)C)CCO2 1783049308 UAXFHAQKCJWFGF-INIZCTEOSA-N 321.377 -0.778 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CCC(=O)N1C)CCO2 1783052853 PEHKZNUJDIYUEM-BLLLJJGKSA-N 319.361 -0.930 30 20 DBED N#CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCCC1 1792539845 FSSJDPNJKNVQRW-YWVIFJGQSA-N 320.393 -0.415 30 20 DBED C[C@@H](S)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1=NNC(=O)C1)C2 1802292351 LIBLEYGNQBSMDP-DOLQZWNJSA-N 324.406 -0.181 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ncon1 1847803984 ACPBXHFTHGIYNA-WOPDTQHZSA-N 318.333 -0.077 30 20 DBED COCCCN(CCOC)c1c(C#N)c(=O)n(C)c(=O)n1C 54124939 YYGDOPXMHKWFKY-UHFFFAOYSA-N 310.354 -0.555 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@@H](C)n2cncn2)CC1 78236181 JIFYACZDUAVRCK-GFCCVEGCSA-N 306.370 -0.715 30 20 DBED CC#CCNC(=O)c1cnc2c(c1C)c(=O)n(C)c(=O)n2C 126537053 IURANJPKDAXRHK-UHFFFAOYSA-N 300.318 -0.306 30 20 DBED C=C(C)CNC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 152998681 PHZCTAZXGWPAFJ-QWRGUYRKSA-N 300.380 -0.286 30 20 DBED C/N=C(/NCC(=O)N(C)C)N1CCN(c2ncc(F)cn2)CC1 262342269 XFUVNJIQJCYNQJ-UHFFFAOYSA-N 323.376 -0.599 30 20 DBED C=CCNC(=O)CNS(=O)(=O)c1[nH]ncc1C(=O)OCC 272077441 SAHCLJLXKYYROD-UHFFFAOYSA-N 316.339 -0.833 30 20 DBED C=CCNC(=O)CNC(=O)NCc1cccc(OCC(N)=O)c1 272226104 GUDZHOYWFCVVKL-UHFFFAOYSA-N 320.349 -0.348 30 20 DBED NS(=O)(=O)[C@@H]1CCN(/C(O)=N/[C@@H]2CCO[C@H]2C2CC2)C1 328679836 UEZIAEKKRXXVFL-MXWKQRLJSA-N 303.384 -0.169 30 20 DBED CS(=O)(=O)N1CC[C@@H](C/N=C(/O)N2CCC[C@H]2CO)C1 328751915 RTADRJUGSWWJSC-QWRGUYRKSA-N 305.400 -0.361 30 20 DBED CN1CN(/C(O)=N/[C@H]2CCCN(c3ccn(C)n3)C2=O)CC1=O 329606782 ICNXMVWQLJPARB-JTQLQIEISA-N 320.353 -0.439 30 20 DBED CN1CCO[C@H](C/N=C(/O)N[C@@H]2CCCS(=O)(=O)C2)C1 329794041 VVNBCECDEOYJGU-GHMZBOCLSA-N 305.400 -0.602 30 20 DBED Cn1ccnc(N=C(O)N2CCN(C[C@@H]3CCOC3)CC2)c1=O 329807247 BIWKDEZEXNGAIU-LBPRGKRZSA-N 321.381 -0.020 30 20 DBED CN(C)c1cnc(/C(O)=N/CCN2CCCS2(=O)=O)cn1 330628707 ZMBQCHIWAISESP-UHFFFAOYSA-N 313.383 -0.117 30 20 DBED C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)N(C)CCC#N 330866457 XSVTVAQQCYHCFT-LLVKDONJSA-N 321.424 -0.248 30 20 DBED COC(=O)[C@@H](O)C(C)(C)NS(=O)(=O)N(C)C[C@@H](C)C#N 332499320 ICRZPAHGQOPPSK-DTWKUNHWSA-N 307.372 -0.775 30 20 DBED C[C@H]1OCC[C@]12CN(C(=O)NCCn1cnc(C#N)n1)CCO2 332820237 IZEFECGXIXUFNC-RISCZKNCSA-N 320.353 -0.261 30 20 DBED CN1C(=O)CC[C@H](NS(=O)(=O)c2cncc(C#N)c2)C1=O 336846715 BJHNRZBTLXFFOA-JTQLQIEISA-N 308.319 -0.621 30 20 DBED N#Cc1ccccc1OCC(=O)NCC(=O)N1CCOCC1 336859824 LERFRJUZAOGTRO-UHFFFAOYSA-N 303.318 -0.088 30 20 DBED N#C[C@H]1CN(S(=O)(=O)NC2CCN(C3CC3)CC2)CCO1 336914365 LPVXKYPSFIPFKR-ZDUSSCGKSA-N 314.411 -0.328 30 20 DBED C[C@@H]1CN(C2CC2)C[C@@H]1NS(=O)(=O)N1CCO[C@H](C#N)C1 336949488 RSLGRFQIUJJSMZ-RTXFEEFZSA-N 314.411 -0.472 30 20 DBED CC(C)(C)C(=O)N1CSC[C@@H]1C(=O)NCC(=O)NCC#N 343533962 WLJCEYJWEPDQTG-SECBINFHSA-N 312.395 -0.310 30 20 DBED N#Cc1cc(Cl)ccc1S(=O)(=O)N[C@H](CO)C(N)=O 352618520 PGQPMFDJEDVXLC-MRVPVSSYSA-N 303.727 -0.664 30 20 DBED C=CCOC[C@H](NC(=O)Cn1c(C)cc(O)cc1=O)C(=O)OC 360723045 RKZNPTJODUSQTG-LBPRGKRZSA-N 324.333 -0.277 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)NC[C@@H]1CN(C)CCN1C 407953439 CRYWONQZNCMCLH-NWDGAFQWSA-N 303.432 -0.842 30 20 DBED Cc1cc(NC(=O)C(=O)N2CCN(C)C[C@@H]2C)nn1CCC#N 440273789 POZNERDSLXVSFC-LBPRGKRZSA-N 318.381 0.206 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2cc(C)ncn2)CC1 491122513 WNTUGJCTKNYDLY-UHFFFAOYSA-N 301.350 -0.708 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@]2(F)CCOC2)CC1 491192947 UGMJGKCLSYEMKL-HNNXBMFYSA-N 311.357 -0.601 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CCN(C(=O)OC)CC1 495779638 INJLALAELNIRQG-UHFFFAOYSA-N 304.372 -0.149 30 20 DBED CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NC[C@H](C)C#N 525693415 ZWSFCZMFZPNQOV-SNVBAGLBSA-N 318.399 -0.904 30 20 DBED CN=c1ccc(C(=O)N=c2[nH][nH]c(CCCNC)c2C#N)c[nH]1 554288765 SUXUGDPILXFFEU-UHFFFAOYSA-N 313.365 -0.034 30 20 DBED CN(CCCc1[nH]nc(N)c1C#N)CC(=O)NC[C@@H]1CCCO1 557052944 RFXAFVCKOAHKCP-NSHDSACASA-N 320.397 0.023 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N(CC(=O)O)CC(=O)O 575049873 SBLQTGJJFQDWBN-MRVPVSSYSA-N 307.328 -0.816 30 20 DBED COCCN(CCC#N)S(=O)(=O)NC[C@@H](CC(=O)O)OC 575063538 YXSQIJJCCHEFRP-SNVBAGLBSA-N 323.371 -0.827 30 20 DBED C[C@@H](C#N)CN(C)C(=O)C(=O)N1CCN(C[C@@H]2CCCO2)CC1 590974759 OYIXQSLFISVVKO-KBPBESRZSA-N 322.409 -0.072 30 20 DBED N#Cc1ccc(N2C(=O)C[C@H](N3C[C@H](O)[C@H](O)C3)C2=O)cc1 593919975 CSVKESGJMBIDHE-RWMBFGLXSA-N 301.302 -0.772 30 20 DBED C[C@H](CN)NC(=O)C(=O)N1CCN(c2ccsc2C#N)CC1 595282813 FPSMLEUOJPEUFM-SNVBAGLBSA-N 321.406 -0.268 30 20 DBED CCOC(CN=c1cc(C#N)cn[nH]1)CN=c1cc(C#N)cn[nH]1 596190660 VZIFHQFWBOQIEW-UHFFFAOYSA-N 324.348 -0.217 30 20 DBED C=CCC[C@H](NC(=O)C1=NN2CCCN=C2N1)C(=O)OCC 597733998 ZCVJQYSDJMQZIG-JTQLQIEISA-N 307.354 -0.021 30 20 DBED CC(C)OC(=O)CCNS(=O)(=O)N1CCO[C@H](C#N)C1 619706253 WMMNOZQPIOTKMB-SNVBAGLBSA-N 305.356 -0.613 30 20 DBED CC#CC[C@@H](CO)NC(=O)NCCNC(=O)c1cccnc1 645162150 QYYRAOCMKAPPGA-ZDUSSCGKSA-N 304.350 -0.115 30 20 DBED N#CCCCCNC(=O)NCCS(=O)(=O)N1CCOCC1 728953433 YNRAAMKEFAYBJU-UHFFFAOYSA-N 318.399 -0.359 30 20 DBED C=CCCCN(C)c1c(-c2nn[nH]n2)c(=O)n(C)c(=O)n1C 735412446 AZRNMHFDACQWCP-UHFFFAOYSA-N 305.342 -0.334 30 20 DBED C#CCNC(=O)[C@@H](C)OC(=O)Cn1cnc2c(N)ncnc21 750506620 QVKWFYJYOVUFDI-MRVPVSSYSA-N 302.294 -0.910 30 20 DBED C#CCCN1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 752853549 ANYUYQLJJOQKRS-UHFFFAOYSA-N 300.428 -0.881 30 20 DBED NC(=NOCc1nc(N)nc(N)n1)c1ccc2c(c1)CCO2 753830450 RSSAZLKUFBCTJZ-UHFFFAOYSA-N 301.310 -0.192 30 20 DBED COCC#CCOC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C 762801424 CFZKIFZWBONLGJ-UHFFFAOYSA-N 319.317 -0.618 30 20 DBED CNC(=O)[C@H]1CN(Cn2cc3c(c(C#N)c2=O)CCC3)CCO1 766633897 UAGSRXMLOOTOPV-CQSZACIVSA-N 316.361 -0.387 30 20 DBED COC[C@H](NS(=O)(=O)Cc1cc(C#N)ccc1F)C(N)=O 766848757 VNTGWGVOFVLCFK-NSHDSACASA-N 315.326 -0.383 30 20 DBED C#C[C@H](C)N(C)C(=O)COCCOCC(=O)N(C)[C@H](C)C#C 767258219 ZPOWUSPEVNBDIK-OKILXGFUSA-N 308.378 -0.020 30 20 DBED N#CC1(COC(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)CC1 775861813 VWPIVSLDYFQLAW-IQIPOGNMSA-N 304.302 -0.004 30 20 DBED C#CCCCNC(=O)C(=O)N1CCN(CC(C)(C)O)C[C@@H]1C 806913439 WJZOHCKMOURQLP-ZDUSSCGKSA-N 309.410 -0.180 30 20 DBED CNC(=O)[C@H](O)CNC(=O)c1ccn(-c2cccc(C#N)c2)n1 816328652 QNJKLRJHNOABHW-CYBMUJFWSA-N 313.317 -0.419 30 20 DBED C#Cc1cccc(CNC(=O)C(=O)N2C[C@H](C)O[C@@H](CO)C2)c1 817845454 GFMOAKJEKKTIIV-SWLSCSKDSA-N 316.357 -0.108 30 20 DBED CCO[C@@H]1CC(=NNC(=S)NCC(=O)NC)[C@]12CCCO2 819807729 KVPDSVYATLYOGG-ZWNOBZJWSA-N 314.411 -0.090 30 20 DBED N#CCN1CCC(NC(=O)N2CCO[C@H](CC(=O)O)C2)CC1 833067690 YVBDRRLCSMUWSR-GFCCVEGCSA-N 310.354 -0.141 30 20 DBED Cc1cn2c(=O)c(C(=O)N[C@@H]3CNC[C@@H]3C#N)cnc2s1 834484013 CJBCQQLLMMIJEC-WCBMZHEXSA-N 303.347 -0.094 30 20 DBED C=C(Br)CNC(=O)C(=O)NC[C@H]1COCCN1 861802053 DGZSDSDWMXFJCA-QMMMGPOBSA-N 306.160 -0.884 30 20 DBED C#CCNC(=O)CN1CCN(c2cc(Cl)nnc2O)CC1 872442606 LEHMOTVGAGRSRD-UHFFFAOYSA-N 309.757 -0.293 30 20 DBED C#CCNS(=O)(=O)N1CCN(Cc2cccc(C#N)n2)CC1 895919096 RFWQCWMCUXZGIS-UHFFFAOYSA-N 319.390 -0.462 30 20 DBED C#CCN1CCC[C@H](NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 923571253 AYZQGXUQCGGUTP-OLZOCXBDSA-N 315.377 -0.024 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](NC(=O)c2ccc(=O)n(C)c2)C1 938242158 IYJIZEKNQRMNRF-PWSUYJOCSA-N 302.334 -0.124 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](N(C)C(=O)c2nccnc2N)C1 939394647 AKJDBSYHSHFXAO-NXEZZACHSA-N 302.338 -0.109 30 20 DBED C#CCN1CCC(C(=O)N[C@@H]2CCN(CC(N)=O)C[C@@H]2C)CC1 945180805 LVIKPGAQNPMAJP-DZGCQCFKSA-N 320.437 -0.357 30 20 DBED C[C@H]1C[C@@H](NC(=O)c2cn(C)c(=O)nc2O)CCN1CC#N 948032546 UYFWYTAIJCAZKQ-UWVGGRQHSA-N 305.338 -0.408 30 20 DBED NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1CCCN(C(=O)C#CC2CC2)C1 950764501 PWDLVZLUSBTSHF-XQQFMLRXSA-N 303.362 -0.372 30 20 DBED C#Cc1ccc(C(=O)N(C)C2CN(C(=O)Cn3nccn3)C2)nc1 954918189 ZLWPOFBGJPIONT-UHFFFAOYSA-N 324.344 -0.363 30 20 DBED C[C@H]1C[C@H](NC(=O)C(N)=O)CCN1C(=O)c1c[nH]c(C#N)c1 955629143 IVSXUFBPSPLEEF-WCBMZHEXSA-N 303.322 -0.519 30 20 DBED N#CCN1C[C@H](CNC(=O)c2nc[nH]c2C(F)(F)F)[C@@H](O)C1 958139701 OCCWOTFREHADLE-YUMQZZPRSA-N 317.271 -0.025 30 20 DBED N#CCN1C[C@H](O)[C@H](CNC(=O)c2cc3c(cn2)OCCO3)C1 958149087 NAZIDBQCUVLJAX-PWSUYJOCSA-N 318.333 -0.601 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2ccn(CC(F)F)n2)C1 958163927 HBMFUAQPHPYREI-ZYHUDNBSSA-N 312.320 -0.196 30 20 DBED CC#CCN1C[C@H](O)[C@H](CNC(=O)c2cc3n(n2)CCCO3)C1 958255232 WYMLKWBBXCWMAR-OCCSQVGLSA-N 318.377 -0.289 30 20 DBED CC#CCN1C[C@H]2[C@H](NC(=O)c3cc(C(N)=O)cn3C)[C@H]2C1 960832587 XOWMVRMLZCXUBW-IMRBUKKESA-N 300.362 -0.193 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)C[C@H]3CCC(=O)N3)C[C@@H]2C1 961912178 ZPGOXSLMQSGNQY-WUHRBBMRSA-N 318.377 -0.268 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)C(N)=O 963584741 ZQPVOBIZGSWTTN-LPWJVIDDSA-N 321.377 -0.345 30 20 DBED C[C@H](C#N)C(=O)N1CCOC2(CN(C(=O)c3cnon3)C2)C1 965472826 MOXBALLTMYFAAB-SECBINFHSA-N 305.294 -0.717 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@H](NC(=O)c2nonc2C)C1 968482564 XUPFCBFNCQHVKO-ZJUUUORDSA-N 308.338 -0.108 30 20 DBED C=CCN1CC[C@H](N2CC([C@H](C)NC(=O)c3cnon3)C2)C1=O 970623647 XEFHCCLSUCWYGP-GWCFXTLKSA-N 319.365 -0.093 30 20 DBED CC#CCN1C[C@H]2CC[C@H]1CN2C(=O)[C@@H]1CN(C(C)=O)CCO1 972070148 PLYCIJGUYHCKBY-XHSDSOJGSA-N 319.405 -0.068 30 20 DBED O=C(Cn1nccn1)N1CC[C@@H]2CN(C(=O)C#CC3CC3)[C@@H]2C1 972086861 ZTXBNFXTYZAJGO-ZIAGYGMSSA-N 313.361 -0.249 30 20 DBED CCN1C[C@H](C(=O)N2CC[C@@]3(CN(CC#N)CCO3)C2)CC1=O 972408458 OTGYXTQYIIPUJG-CZUORRHYSA-N 320.393 -0.318 30 20 DBED C#CCN(C)[C@@H]1CCN(C(=O)C2CC3(C2)NC(=O)NC3=O)C1 972534363 QPZMGOJGRFLUOG-LOIXOFCESA-N 304.350 -0.860 30 20 DBED C#CCCN1C[C@H](NC(=O)CN2CCN(C)C(=O)C2)C(C)(C)C1 974749028 GCVWULYLUZMRLQ-AWEZNQCLSA-N 320.437 -0.390 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2[C@@H]3CN([C@@H]4CCNC4=O)C[C@H]23)nc1 978980862 CFNSCQJSGUSGJT-HGTKMLMNSA-N 324.384 -0.141 30 20 DBED C#Cc1ccc(C(=O)NCC2[C@@H]3CN([C@@H](C)C(N)=O)C[C@@H]23)cn1 978985494 DKCWLTNMYHEBGT-LKTVYLICSA-N 312.373 -0.156 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCCN(Cc3nc(=O)n(C)[nH]3)C2)C1 981671802 ISZGDRBFCUGUSM-LLVKDONJSA-N 318.381 -0.308 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@H](CNC(=O)c3cnn[nH]3)C2)c1 982603954 QAKXUDVVMZTNSF-SECBINFHSA-N 313.321 -0.103 30 20 DBED C#CCN1C[C@@]2(C)CN(C(=O)C[C@H]3CC(=O)NC3=O)C[C@@]2(C)C1 982854633 NLJFRANDEJDRRC-JLZZUVOBSA-N 317.389 -0.157 30 20 DBED Cn1cncc1C(=O)N[C@@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1O 991564432 CAILMOGHKNGIKF-OCCSQVGLSA-N 316.361 -0.475 30 20 DBED Cc1nn(CC(=O)N[C@@H]2CCCN(CC#N)[C@@H]2C)c(=O)n1C 994300109 ZVBUEHFKNHDGLE-ZYHUDNBSSA-N 306.370 -0.617 30 20 DBED C[C@@H](C#N)C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cc(=O)n(C)o1 996184977 IWLUFGOAQXZFHP-VLEAKVRGSA-N 318.333 0.000 30 20 DBED O=C1CCC[C@H](C(=O)NCC2CN(C(=O)C#CC3CC3)C2)N1 1002581033 AAHPFLPVERGLDP-CYBMUJFWSA-N 303.362 -0.357 30 20 DBED C[C@@H](C#N)C(=O)N1CC(CNC(=O)[C@@H]2CCN(C)C(=O)C2)C1 1003065117 YHHFBWHRWFUHSV-CMPLNLGQSA-N 306.366 -0.411 30 20 DBED C#CCCN1CCC(N(C)C(=O)C[C@@H]2CC(=O)NC2=O)CC1 1006481517 AHKMKBVAEYYGOJ-LBPRGKRZSA-N 305.378 -0.015 30 20 DBED C[C@H]1C[C@@H](NC(=O)CN2CCOCC2)CN1C(=O)C#CC1CC1 1012580701 GNNJJZULIMMVRZ-DZGCQCFKSA-N 319.405 -0.162 30 20 DBED C=CCn1cccc1C(=O)NC1[C@@H]2CN(C(=O)CC(N)=O)C[C@@H]12 1013279592 XDVIOGBATCIUTI-GHMZBOCLSA-N 316.361 -0.264 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(C1)CN(C(=O)[C@@H]1CCC(=O)N1)C2 1019236335 JDSPCBQSZRKPJT-QWRGUYRKSA-N 304.350 -0.514 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCN(C(=O)[C@H]3COC(=O)N3)C2)C1 1019363591 XHHCMGPXKAJZMX-NXEZZACHSA-N 306.322 -0.685 30 20 DBED C=CCN1CC[C@@H](N[C@H]2C[C@H](NC(=O)c3nc[nH]n3)C2)C1=O 1020773958 MVFHGQXHFPNJFW-GMTAPVOTSA-N 304.354 -0.558 30 20 DBED C=CCN1CC[C@@H](N[C@H]2C[C@@H](NC(=O)[C@H]3CCN(C)C3)C2)C1=O 1023086247 GBVFEGKPUNYNPV-BYNSBNAKSA-N 320.437 -0.038 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cnco2)C[C@H]1O 1025712708 ZYUOVGWBGUOUHF-KKOKHZNYSA-N 321.333 -0.433 30 20 DBED C=CCN(C)[C@@H]1CCCN(C(=O)CN2CC(=O)N(C)C2=O)C1 1027648464 SFWLCTDNPWEGIR-GFCCVEGCSA-N 308.382 -0.011 30 20 DBED C#Cc1cncc(C(=O)NC[C@H]2CCN(CC(=O)NC)C2)c1 1028792165 DUOSABIIVMFXJN-CYBMUJFWSA-N 300.362 -0.139 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN([C@H](C)C(=O)N(C)C)C1 1030464030 FHKGYXWJPRDGPE-OCCSQVGLSA-N 306.410 -0.639 30 20 DBED N#CCN1CCO[C@@H](CNC(=O)c2ccc3oc(O)nc3n2)C1 1035578166 VGNCOVJHOHDLNM-VIFPVBQESA-N 317.305 -0.117 30 20 DBED C#CCN1CCO[C@H](CNC(=O)c2ccc(C(N)=O)cn2)C1 1035622641 UOLCJNLPGYNYQB-GFCCVEGCSA-N 302.334 -0.756 30 20 DBED C=CCCC(=O)N1CC[C@@](O)(CNC(=O)[C@H](C)NC(N)=O)C1 1039553845 XUKOBYRMUZBDNP-IINYFYTJSA-N 312.370 -0.911 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@]1(O)CCN(C(=O)c2ncc[nH]2)C1 1039580593 WZHPNIAXZKHYEB-CABCVRRESA-N 322.365 -0.570 30 20 DBED C#CCOCCC(=O)NC[C@@]1(O)CCN(C(=O)C(C)(F)F)C1 1039718474 ASZIRVIYEKBXKU-AWEZNQCLSA-N 318.320 -0.239 30 20 DBED CCn1cnc(C(=O)NC[C@]2(O)CCN(C(=O)[C@@H](C)C#N)C2)c1 1040357562 QIBFFOPIFWSAPG-XHDPSFHLSA-N 319.365 -0.244 30 20 DBED C#CCN1CCC2(CC1)CCN(C(=O)Cn1ncn(C)c1=O)C2 1040754648 XXHMCMPFBISWEA-UHFFFAOYSA-N 317.393 -0.471 30 20 DBED C[C@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)Cn2cccn2)C1 1040764857 ZSUJHSYSLLILGD-BXUZGUMPSA-N 305.338 -0.878 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)N1CC(O)(CNC(=O)CC)C1 1041041623 NKURDKRJHZMCPV-LBPRGKRZSA-N 311.382 -0.443 30 20 DBED N#Cc1nccnc1N1C[C@@H](O)[C@H](NC(=O)Cc2ccco2)C1 1041136496 DAUAJIOIKXOVRV-CHWSQXEVSA-N 313.317 -0.150 30 20 DBED N#CCSCC(=O)NCC1(O)CN(C(=O)C2CC=CC2)C1 1041568736 OBIRAJQQMIMWRX-UHFFFAOYSA-N 309.391 -0.101 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)c2cc(OC)no2)C1 1041956390 JICMJKDDSIMCAS-UHFFFAOYSA-N 309.322 -0.048 30 20 DBED Cc1nocc1C(=O)N1CC(O)(CNC(=O)C#CC(C)C)C1 1042938159 QELWUSRLPUUBKI-UHFFFAOYSA-N 305.334 -0.054 30 20 DBED Cc1ccnn1CC(=O)N1CC(O)(CNC(=O)C#CC(C)C)C1 1042941840 UGJLTVABCFADPI-UHFFFAOYSA-N 318.377 -0.460 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2n[nH]cc2C)C1 1042958469 RPVPHJZCSYDBPL-NSHDSACASA-N 322.365 -0.388 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)NCC1(O)CN(C(=O)C2CC2)C1 1043028478 NDDSELSTZYDZBL-CYBMUJFWSA-N 323.393 -0.443 30 20 DBED C=C(Cl)C(C)(C)C(=O)NCC1(O)CN(C(=O)CC(N)=O)C1 1043202379 HESJLMLFTZCQON-UHFFFAOYSA-N 317.773 -0.670 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)CCC)C1 1043650934 VZXFWBCWBIEGPH-ZDUSSCGKSA-N 307.394 -0.426 30 20 DBED CC(=O)NC(C)(C)C(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1043896004 LYIVJUDJXQUKFL-UHFFFAOYSA-N 321.377 -0.996 30 20 DBED N#CCSCC(=O)N1CC(O)(CNC(=O)CCC(F)F)C1 1043914002 WCAKJSCXIZEVOA-UHFFFAOYSA-N 321.349 -0.022 30 20 DBED C=C[C@H](CC)CC(=O)N1CC(O)(CNC(=O)[C@@H]2CCNC2=O)C1 1044455459 DNHREESUSXMYHC-VXGBXAGGSA-N 323.393 -0.586 30 20 DBED N#Cc1cccnc1N1C[C@H](O)[C@H](NC(=O)c2n[nH]cc2F)C1 1044494421 RPDKVWNLQLJFAQ-MNOVXSKESA-N 316.296 -0.205 30 20 DBED Cc1cc(C(=O)N2CC(O)(CNC(=O)[C@H](C)C#N)C2)ccn1 1045546313 KNCWJKBHZKERKM-SNVBAGLBSA-N 302.334 -0.147 30 20 DBED Cc1nnc(CC(=O)N2CCN([C@H]3CCN(CC#N)C3)CC2)o1 1046025470 GNPKSEGXFQXYEZ-ZDUSSCGKSA-N 318.381 -0.337 30 20 DBED C=CCN1CC[C@@](C)(NC(=O)[C@@H]2CCN(C)S2(=O)=O)C1 1046698887 INCSRPZXXVLUMR-WCQYABFASA-N 301.412 -0.213 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(=O)n(CCC)n2)C1 1047624776 ZILOSYXIXVCNCA-KBPBESRZSA-N 318.377 -0.596 30 20 DBED C#CCOCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cc[nH]n2)C1 1048327650 PIOXVFUNHKKOGP-STQMWFEESA-N 320.349 -0.907 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CNC(=O)CC)C1 1048561608 FNDNFTWPDMYKMA-RYUDHWBXSA-N 311.382 -0.491 30 20 DBED C#CCN1C[C@@H]2CCCN(C(=O)Cn3ncn(C)c3=O)[C@@H]2C1 1050081671 MSLSDNLVXPICNF-QWHCGFSZSA-N 303.366 -0.862 30 20 DBED CNC(=O)NCC(=O)N[C@H](C)[C@H]1CCN(C(=O)C#CC(C)C)C1 1050678982 ISBSUNWRXMISBT-OLZOCXBDSA-N 322.409 -0.072 30 20 DBED C#CCCN1CCOC[C@H]1CNC(=O)c1ccc(=O)n(C)c1 1050999912 DSIJQCFDWSPLCX-CQSZACIVSA-N 303.362 -0.161 30 20 DBED CCCn1nc(C(=O)NC[C@H]2COCCN2CC#N)ccc1=O 1051238335 LATJHKXZCKNHAP-LBPRGKRZSA-N 319.365 -0.393 30 20 DBED C#CCCN1CCOC[C@H]1CNC(=O)[C@H]1CCc2nncn2C1 1051254054 DHMXDGYYADNKKJ-UONOGXRCSA-N 317.393 -0.319 30 20 DBED N#Cc1cccnc1N1CC[C@@H](NC(=O)c2cnon2)[C@H](O)C1 1051719697 UYBHSLGNULSPFI-ZYHUDNBSSA-N 314.305 -0.294 30 20 DBED C[C@@H](C(=O)N1CC[C@H](N2CCN(CC#N)CC2)C1)n1cncn1 1052017157 DROUQUDRXJIWDI-KBPBESRZSA-N 317.397 -0.419 30 20 DBED C[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1CNC(=O)Cn1ncnn1 1052554794 RQYQDPBVZUXZIU-WCQYABFASA-N 316.365 -0.703 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)Cc1nnc(C)o1)CCO2 1053246408 PBFTUHUNMQKYNY-UHFFFAOYSA-N 304.350 -0.143 30 20 DBED C#CCCN1CC2(CC[C@H](CNC(=O)c3cn(C)nn3)O2)C1 1053598576 YPBFVIZRNRGSBH-GFCCVEGCSA-N 303.366 -0.198 30 20 DBED C=CCCC(=O)N[C@]1(CO)CCCN(C(=O)c2cnnn2C)C1 1055824451 ULKMONREROQLFP-OAHLLOKOSA-N 321.381 -0.135 30 20 DBED N#Cc1ccc(N[C@@H]2CCN(C(=O)[C@H]3CCNC3=O)C2)nn1 1056744616 ABNFIECVEAFVGS-MNOVXSKESA-N 300.322 -0.503 30 20 DBED C#CCOCCC(=O)NCCN(CCO)C(=O)CSC 1056902432 LCXQYCZMWMYULK-UHFFFAOYSA-N 302.396 -0.674 30 20 DBED N#Cc1ccc(N2CCCN(C(=O)[C@@H]3CCNC3=O)CC2)nn1 1057204652 HWXAIOVQLGWKOE-GFCCVEGCSA-N 314.349 -0.477 30 20 DBED N#Cc1c[nH]ccc1=NC1CCN(C(=O)[C@H]2CCNC2=O)CC1 1057399195 VIJGAXRXBJDGNN-ZDUSSCGKSA-N 313.361 -0.086 30 20 DBED Cc1cc(C(=O)N(CCO)CCNC(=O)[C@H](C)C#N)c(C)nn1 1057697153 LHKCIWDVVUQWRP-SNVBAGLBSA-N 319.365 -0.196 30 20 DBED CN1CC[C@@H](CC(=O)N(CCO)CCNC(=O)C#CC2CC2)C1 1058158349 WMVYZQRHVXELCW-HNNXBMFYSA-N 321.421 -0.321 30 20 DBED C=C[C@@H](C)[C@H](C)C(=O)N(CCO)CCNC(=O)Cc1nc[nH]n1 1058438296 UAJKHAXFRQIABT-NEPJUHHUSA-N 323.397 -0.258 30 20 DBED N#Cc1ccc(N2C[C@@H]3CC[C@H](C2)N3C(=O)CC(N)=O)nn1 1058739864 DJWJDPCALMBSKF-PHIMTYICSA-N 300.322 -0.597 30 20 DBED N#Cc1nc(=N[C@H]2CCN(C(=O)[C@H]3COCCO3)C2)cc[nH]1 1058846361 QTJZDOXBPFOEIK-WDEREUQCSA-N 303.322 -0.802 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)[C@H]1CC[C@@H](C)O1 1058913360 CRHWRDDPZINRBE-CHWSQXEVSA-N 314.382 -0.306 30 20 DBED CNC(=O)CC(=O)N1CCC2(CC1)CN(C(=O)[C@@H](C)C#N)C2 1061113719 YPAIDZLQQJRAIZ-NSHDSACASA-N 306.366 -0.267 30 20 DBED Cn1ncc(C(=O)NC[C@@H]2CCCN2c2cnc(C#N)cn2)n1 1061376240 MWPJOYUPMQMKQH-NSHDSACASA-N 312.337 -0.124 30 20 DBED Cn1cnc(C(=O)NC[C@H]2CCN(c3nccnc3C#N)C2)n1 1061582472 CGGOIRJBVDKBBH-SNVBAGLBSA-N 312.337 -0.267 30 20 DBED C=CCCOCC(=O)NC[C@@H]1COCCN1C(=O)c1ncc[nH]1 1061666899 VNSODIYHJWTYFD-GFCCVEGCSA-N 322.365 -0.040 30 20 DBED C#CCNC(=O)CC(=O)NCC1(NC(=O)CCOC)CCC1 1062829485 OLNKPXWKGROBBF-UHFFFAOYSA-N 309.366 -0.683 30 20 DBED CC(C)C#CC(=O)NC1(CNC(=O)[C@@H]2COC(=O)N2)CCC1 1062899110 QYPHXZKJJCATPV-NSHDSACASA-N 307.350 -0.091 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(NC(=O)CCCC(N)=O)CCC1 1063046386 LIVWEDNBYCMWNE-LBPRGKRZSA-N 323.393 -0.165 30 20 DBED C=CCOCC(=O)N1CCO[C@@H](CNC(=O)COCCC)C1 1064977145 UEDNIQLLVZXHPB-ZDUSSCGKSA-N 314.382 -0.041 30 20 DBED Cc1cc(CC(=O)N2CCO[C@H](CNC(=O)[C@H](C)C#N)C2)n[nH]1 1065034103 GJLCHJSGUUBATA-ZWNOBZJWSA-N 319.365 -0.236 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CN(C(=O)Cc2cncnc2)CCO1 1065095638 LXIRMYJGKOOHJE-DGCLKSJQSA-N 317.349 -0.478 30 20 DBED Cn1cnc(C(=O)N[C@@]2(C)CCN(c3cncc(C#N)n3)C2)n1 1065247581 FUMBHLQPXHJRPV-AWEZNQCLSA-N 312.337 -0.124 30 20 DBED C=CCC1(C(=O)N2CCO[C@H](CNC(=O)C(N)=O)C2)CCCC1 1065332960 UKAYFOCEELXBHM-GFCCVEGCSA-N 323.393 -0.048 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)CCO1 1065627446 VHRUOEAVIVIRMY-UPJWGTAASA-N 321.377 -0.745 30 20 DBED C#CCOCCC(=O)N1CCC[C@@H](NC(=O)CC(N)=O)CC1 1066015401 TXTKZQMJQZRRSV-GFCCVEGCSA-N 309.366 -0.601 30 20 DBED C#CCOCCC(=O)N(C)CCCN(C)C(=O)CC(=O)NC 1067262703 QYQVYVFXRPKETQ-UHFFFAOYSA-N 311.382 -0.531 30 20 DBED N#Cc1cnc(N2C[C@@H](O)[C@H](CNC(=O)c3cccnc3)C2)cn1 1067642249 AEGXAPJCSVKVBP-TZMCWYRMSA-N 324.344 -0.030 30 20 DBED CC(C)(C)C#CC(=O)N[C@@H]1COC2(C1)CN(C(=O)CC(N)=O)C2 1068863526 YGTZHQTWRYNKDU-NSHDSACASA-N 321.377 -0.603 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1COC2(C1)CN(C(=O)Cc1cnc[nH]1)C2 1069009152 XEHUICNBLMYFDN-PWSUYJOCSA-N 317.349 -0.402 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)CN2CCCC2)C1 1070098533 DVBHZXXSOKGMJL-KGLIPLIRSA-N 302.382 -0.651 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2c(C)n[nH]c2C)C[C@@H]1n1ccnn1 1070296673 YLZABNSFKDFATL-OLZOCXBDSA-N 313.365 -0.093 30 20 DBED CC#CCN1CCNC(=O)CCN(C(=O)c2ccn(C)n2)CC1 1071020643 NJLNKCLEWTURPB-UHFFFAOYSA-N 317.393 -0.293 30 20 DBED C=CCN1CC[C@@H](N(Cc2cn(C)c(=O)n(C)c2=O)C(C)=O)C1 1072134752 ZEHSBMHDPMKSJH-CQSZACIVSA-N 320.393 -0.307 30 20 DBED C=CCOCC(=O)N[C@H]1CN(C(=O)Cn2nccn2)C[C@H]1C 1072184165 RLZLZTWNNVGFOS-NEPJUHHUSA-N 307.354 -0.556 30 20 DBED C=CCCC(=O)N[C@H]1CN(C(=O)CN2CCOCC2=O)C[C@@H]1C 1072320924 MLFQEYOFJDYODH-STQMWFEESA-N 323.393 -0.226 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)C(=O)NCC2CC2)C[C@H]1C 1072610470 BOAFLERQYLBXQB-DGCLKSJQSA-N 323.393 -0.322 30 20 DBED C=CCCN1CCO[C@@H]2CCN(C(=O)Cn3ncnn3)C[C@H]21 1074241171 CWTZCPVWFJXYBJ-CHWSQXEVSA-N 306.370 -0.449 30 20 DBED N#CCN1CCO[C@@H]2CCN(C(=O)C34CCN(CC3)C4)C[C@@H]21 1074385848 XUCUULWUMSBZNH-UONOGXRCSA-N 304.394 -0.093 30 20 DBED C=CCN1CC[C@H](N[C@H]2CCN(C(=O)c3nc[nH]n3)[C@H]2C)C1=O 1074976388 NYZMVOBKXHZLPC-SRVKXCTJSA-N 318.381 -0.216 30 20 DBED COC[C@@H](C)n1cc(C(=O)N[C@@H]2CN(CC#N)C[C@H]2O)c(C)n1 1076996736 LCOMUJRLWGMYIN-LERXQTSPSA-N 321.381 -0.303 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)c1csnn1 1077550652 PDKALBURTJMNQR-VIFPVBQESA-N 323.378 -0.698 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)C2CCN(C(=O)CCC)CC2)C1 1078219477 BOOGYDIRWJJECE-HUUCEWRRSA-N 321.421 -0.180 30 20 DBED C#CCN[C@H]1C[C@H]2CC[C@H]1N(C(=O)c1nnc(O)nc1O)C2 1078988505 FOQQOUKZXCNBSC-KXUCPTDWSA-N 303.322 -0.501 30 20 DBED C#CCCN1C[C@@H](NC(=O)c2nccnc2C(N)=O)[C@H](C)C1 1080912253 GTELBMPAUOJYSX-GHMZBOCLSA-N 301.350 -0.351 30 20 DBED CC#CCCCC(=O)N1C[C@H](O)[C@H](CNC(=O)CNC(C)=O)C1 1081202972 WVLBUYHWQQIMKI-KGLIPLIRSA-N 323.393 -0.748 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)c2cnccn2)C[C@@H]1O 1081333237 QDTMODKABLXIDY-AAEUAGOBSA-N 304.350 -0.008 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)c2csnn2)C[C@H]1O 1081445622 XWVJUCLWXYPBSD-ZYHUDNBSSA-N 322.390 -0.109 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)Cc2nnc(C)o2)C1 1081454607 BZUPUJGUOXYSAS-VXGBXAGGSA-N 322.365 -0.178 30 20 DBED Cc1nn[nH]c1C(=O)N1C[C@H](O)[C@H](CNC(=O)C#CC2CC2)C1 1081474676 STLJMKWIBYBOIS-NEPJUHHUSA-N 317.349 -0.924 30 20 DBED C=CCCOCC(=O)NC[C@H]1CN(C(=O)COC)C[C@@H]1O 1081566721 MAXLBEQNACQELI-RYUDHWBXSA-N 300.355 -0.839 30 20 DBED C#CCCN1C[C@@H](NC(=O)[C@H]2CCc3nn[nH]c3C2)[C@H](OC)C1 1082324707 XROMZRMDYCBAIQ-NILFDRSVSA-N 317.393 -0.252 30 20 DBED C#Cc1ccccc1CC(=O)N[C@@H]1CN(CC(N)=O)C[C@H]1OC 1082345463 LLXMQCBILGNWNN-HUUCEWRRSA-N 315.373 -0.489 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)Cn2cc(C3CC3)nn2)C1 1083522828 ZJVWMBDLPLRPGH-KGLIPLIRSA-N 305.382 -0.107 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)[C@H]2COCCN2CC2CCC2)C1 1083670468 BJHPYYPWPLBZSS-KFWWJZLASA-N 322.409 -0.828 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)[C@@]2(C)CCN(C(C)=O)C2)C1 1083929083 MVYZIIJOSDLHJF-YCPHGPKFSA-N 309.410 -0.018 30 20 DBED C=CCN[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1c1cnn(C)c1 1087002299 RJLLHBLYDGQJCS-GXTWGEPZSA-N 315.381 -0.068 30 20 DBED CNC(=O)CC(=O)N[C@@H](C)C[C@H](C)N=c1cc[nH]c(C#N)n1 1089282683 HCZXGZJYNYLHOY-UWVGGRQHSA-N 304.354 -0.399 30 20 DBED N#Cc1cccnc1N1C[C@@H]2CCN(C(=O)CNC(N)=O)[C@@H]2C1 1090289423 YQASMSCYKFFQGJ-NWDGAFQWSA-N 314.349 -0.341 30 20 DBED CO[C@H](C)C(=O)N[C@@H]1CN(c2cc(C)ncc2C#N)C[C@H]1O 1090378336 VYHWPWKQDLXZSN-MPKXVKKWSA-N 304.350 -0.038 30 20 DBED N#CCN1CC[C@H](NC(=O)c2cccc3ncnn23)[C@@H](O)C1 1090398676 GYPPCQGVFNLMOM-JQWIXIFHSA-N 300.322 -0.582 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1O 1090408515 TVPAIADDWYUHCP-LALPHHSUSA-N 317.349 -0.659 30 20 DBED CC(C)N(C)CC(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1O 1090439815 MJEHQNFDNWUGIS-CHWSQXEVSA-N 318.381 -0.646 30 20 DBED N#CCNC1CC(CNC(=O)c2cn([C@@H]3CCOC3)nn2)C1 1091315837 OUDHWPCMZSPZLR-HTAVTVPLSA-N 304.354 -0.139 30 20 DBED C=CCCC(=O)N[C@@H]1CCN(c2nccn3nnnc23)C[C@@H]1O 1092154297 ULUUWHJUXBOPOR-MNOVXSKESA-N 317.353 -0.459 30 20 DBED C=C(C)CN1C[C@@H](C)[C@H](CNC(=O)[C@@H]2CCS(=O)(=O)N2)C1 1093203483 QTMZJQVVMUODBA-UPJWGTAASA-N 315.439 -0.062 30 20 DBED CCc1nc(C#N)cc(NCCNC(=O)[C@@H](C)NC(C)=O)n1 1093464723 FWXFONWWTSZSPJ-SECBINFHSA-N 304.354 -0.037 30 20 DBED CCn1nc(C)c(C(=O)NCCN=c2cc[nH]c(C#N)n2)n1 1093726980 LWOYHRFWCKFPPM-UHFFFAOYSA-N 300.326 -0.468 30 20 DBED CCC(=O)N1CC[C@@H](C(=O)NCCN=c2cc[nH]c(C#N)n2)C1 1093843495 RYKRWQPQJZUIGA-LLVKDONJSA-N 316.365 -0.443 30 20 DBED CO[C@@H](C(=O)NCCN=c1cc[nH]c(C#N)n1)c1cnn(C)c1 1094011212 BVAOVKIVFMCLNR-CYBMUJFWSA-N 315.337 -0.581 30 20 DBED C[C@H]1CCCN1CC(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1 1094783316 OJSBPLGKCIKYSW-QWHCGFSZSA-N 319.409 -0.604 30 20 DBED N#Cc1ccc(NCCCNC(=O)CN2CCOCC2=O)nc1 1094860701 TWECDEMKBXOCFL-UHFFFAOYSA-N 317.349 -0.270 30 20 DBED CC(=O)N(C)CC(=O)N1CC[C@@H](N(C)c2ccc(C#N)nn2)C1 1095108906 KUECFEHMSOVXFZ-CYBMUJFWSA-N 316.365 -0.136 30 20 DBED COCCN1C[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC#N)CC1=O 1095491822 JQSRLTWKBXQJDJ-CRWXNKLISA-N 320.393 -0.274 30 20 DBED C[C@H](NC(N)=O)C(=O)N[C@H]1CCN(c2nccnc2C#N)C1 1096356752 ZKLAQJCPKTWUHI-IUCAKERBSA-N 303.326 -0.900 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCN(c2cncc(C#N)n2)C1 1096361031 VXLZWYVGQHFKQS-LLVKDONJSA-N 312.333 -0.817 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1C[C@H](Nc2ccc(C#N)nn2)C1 1097014895 HJTDWTNWRIQPDL-HAQNSBGRSA-N 312.333 -0.453 30 20 DBED CNC(=O)NCCC(=O)NC[C@@H](C)Nc1nc(C)cc(C#N)n1 1097806714 SNVLUKLORBOAGH-SNVBAGLBSA-N 319.369 -0.108 30 20 DBED C=CCN(CCO)C1CCN(C(=O)[C@@H]2CN(C)C(=O)N2)CC1 1098447848 ZORAVUXSCZNHQB-ZDUSSCGKSA-N 310.398 -0.519 30 20 DBED N#CCNCc1cn([C@H]2CCN(C(=O)c3cnon3)C2)nn1 1098752524 YROLFENJUQXNCC-JTQLQIEISA-N 302.298 -0.639 30 20 DBED CCNC(=O)CCC(=O)NCC1CC(NCC(=O)NCC#N)C1 1100181906 FARWEKSQRVAYGL-UHFFFAOYSA-N 323.397 -0.973 30 20 DBED C=CCCNC1CC(CNC(=O)C[C@H](NC(C)=O)C(N)=O)C1 1100735283 YEEQGMDTTCEJSL-BPCQOVAHSA-N 310.398 -0.573 30 20 DBED C#CCNC1CC(CNC(=O)[C@@H](NC(=O)COC)C(C)C)C1 1100740108 FFEXQTTZTQMAIL-PIMMBPRGSA-N 309.410 -0.109 30 20 DBED CNC(=O)NCC(=O)NCCN(c1ccnc(C#N)n1)C1CC1 1101461326 WCDCOIZYVVXIGU-UHFFFAOYSA-N 317.353 -0.638 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)C[C@@H]1CCCC(=O)N1 1102039060 MWGJOWHULVPROV-NSHDSACASA-N 316.365 -0.301 30 20 DBED CC#CCN1C[C@@H](C)[C@H](CNC(=O)CC[C@H]2NC(=O)NC2=O)C1 1102563119 KGLWWQWJDFMRRQ-JHJVBQTASA-N 320.393 -0.318 30 20 DBED C[C@@H](CNc1cnc(C#N)cn1)N(C)C(=O)Cn1cncn1 1104570679 RUQXICOCCOIANN-JTQLQIEISA-N 300.326 -0.101 30 20 DBED C[C@H](CNc1cncc(C#N)n1)N(C)C(=O)Cc1nc[nH]n1 1104673868 SCQKUEBCRSGSIL-SECBINFHSA-N 300.326 -0.032 30 20 DBED CC(C)[C@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)N=c1cc[nH]c(C#N)n1 1105276338 LXBRIRIRVGELMF-VWYCJHECSA-N 316.365 -0.556 30 20 DBED Cc1cc(C#N)nc(N(C)CCN(C)C(=O)[C@@H]2CCC(=O)N2)n1 1105440297 OKEXWVWSIFPGBQ-LBPRGKRZSA-N 316.365 -0.170 30 20 DBED COCC[C@H](C)C(=O)NC[C@H](O)CNc1cnc(C#N)cn1 1105860508 XKQKURACWPAVPP-CMPLNLGQSA-N 307.354 -0.090 30 20 DBED N#Cc1nccnc1NC[C@H](O)CNC(=O)C12CCN(CC1)C2 1105917446 IOZYCSVCCVMFBK-NSHDSACASA-N 316.365 -0.667 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)C2(C(N)=O)CC2)cn1 1106097863 NMWWDYRMVAELCC-NSHDSACASA-N 303.322 -0.892 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)[C@H]2CCCNC2=O)C[C@H]1C 1106283883 ZTZYBEKFUBQTOA-KFWWJZLASA-N 321.421 -0.154 30 20 DBED C[C@@]1(C(=O)NC/C=C\CNc2cncc(C#N)n2)CNC(=O)C1 1107421504 GQGZFCSBVDKVDF-GWQWAINWSA-N 314.349 -0.041 30 20 DBED C[C@H](CNc1ccc(C#N)cn1)NC(=O)CCn1cnnn1 1107890937 AIPVBPYXUACXLZ-SNVBAGLBSA-N 300.326 -0.053 30 20 DBED C#CCNC(=O)CN1CCO[C@@](C)(CNC(=O)c2cc[nH]c2)C1 1107961324 WCXSODWJUAVTBJ-INIZCTEOSA-N 318.377 -0.415 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)C[C@@H]2CCCC(=O)N2)C1 1108062556 DIYUYLAXIJEODM-BBRMVZONSA-N 307.394 -0.115 30 20 DBED C[C@@H](CNc1nccn2nnnc12)NC(=O)c1ccc(C#N)[nH]1 1108345642 FKKVJHTYTWHAJQ-QMMMGPOBSA-N 311.309 -0.051 30 20 DBED CC#CCN1CC(N2C[C@H](NC(=O)COCCOC)CC2=O)C1 1108528338 VXOQCBXWRNQDPU-CYBMUJFWSA-N 323.393 -0.926 30 20 DBED CC#CCCCC(=O)N[C@H]1CC(=O)N(C2CN(CC(N)=O)C2)C1 1108564153 CETCIPYRERPSQA-LBPRGKRZSA-N 320.393 -0.933 30 20 DBED C=C(C)C[C@H](C)C(=O)N[C@H]1CC(=O)N(C2CN(CCO)C2)C1 1108567118 VYHREAUZTJMKGZ-STQMWFEESA-N 309.410 -0.018 30 20 DBED C[C@@H](CNc1ccc(C#N)nn1)NC(=O)CN1CCOCC1=O 1108754473 YSFFYBPCJKLGNF-JTQLQIEISA-N 318.337 -0.876 30 20 DBED C[C@@H](CN(C)c1cnc(C#N)cn1)NC(=O)c1nccnc1N 1108885466 CZHAQVPEWQCTFR-VIFPVBQESA-N 312.337 -0.025 30 20 DBED CS(=O)(=O)CC(=O)N[C@H](CN=c1cc[nH]cc1C#N)C1CC1 1109768898 QPLSKHWPCCAZLL-CYBMUJFWSA-N 322.390 -0.274 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(Nc2nccn3nnnc23)CC1 1110125414 AOFTYOSIYZECBK-ZDUSSCGKSA-N 317.353 -0.093 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C1CCOCC1 1110229721 OKOVKHGHEFLYKD-KFWWJZLASA-N 319.405 -0.116 30 20 DBED CN(CCCN(C)c1ccc(C#N)nn1)C(=O)[C@H]1CCNC1=O 1112151889 ZYKKDYKKIBXXGQ-LBPRGKRZSA-N 316.365 -0.231 30 20 DBED N#CCSCC(=O)N1CCN(C[C@H](O)Cn2cccn2)CC1 1112629944 ICVDSCZQLIZWBO-ZDUSSCGKSA-N 323.422 -0.355 30 20 DBED COCC(=O)NC[C@@H]1CN(c2nc(C)cc(C#N)n2)C[C@H]1O 1112692268 LAPRYRGJXRWHSZ-ZYHUDNBSSA-N 305.338 -0.784 30 20 DBED C#CCCCCC(=O)N1CCN([C@@H](C)C(=O)NC(N)=O)CC1 1112776011 LCVYTAFTLRSAEA-LBPRGKRZSA-N 308.382 -0.092 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)C2CCC(O)CC2)CC1 1112811931 BEBOWNAUPBMXMJ-NFOMZHRRSA-N 321.421 -0.180 30 20 DBED COCC#CCN1CCN(C(=O)[C@@]2(C)CCNC(=O)C2)CC1 1113008511 SCSHDMCKWOISCC-INIZCTEOSA-N 307.394 -0.303 30 20 DBED C[C@H](Nc1ncccc1C#N)[C@@H](C)NC(=O)Cn1ncnn1 1113194594 SKKWAPUFPJPPMW-ZJUUUORDSA-N 300.326 -0.055 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)Cn2ccnc2)CC1 1113727394 SNQYAIFXDSFKIO-ZDUSSCGKSA-N 303.366 -0.835 30 20 DBED C=CCCC(=O)NC1[C@@H]2CN([C@@H](C)C(=O)NC(=O)NC)C[C@@H]12 1114026283 ZLANKXJNMJQELA-HBNTYKKESA-N 308.382 -0.157 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3c[nH]c(C#N)c3)[C@H]2C1 1114148237 CLWYTGIKMADMLG-NHAGDIPZSA-N 311.345 -0.704 30 20 DBED CC[C@H](SC)C(=O)NC1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]12 1114151298 GOOAYXSHEYUIOK-MXWKQRLJSA-N 310.423 -0.186 30 20 DBED C[C@H]1C[C@H](CN=c2cc[nH]c(C#N)n2)CN1C(=O)CNC(N)=O 1114664265 PDQAVMWADHHDRT-VHSXEESVSA-N 317.353 -0.913 30 20 DBED COCC#CCN1C[C@@H]2C(NC(=O)c3cnc(OC)nc3)[C@H]2C1 1115063662 SUVBVMLKZSMKKB-STQMWFEESA-N 316.361 -0.205 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2[C@@H]3CN(CCOCCO)C[C@@H]32)nc1 1115140073 QBIQDZRRKVNZAT-FOLVSLTJSA-N 315.373 -0.268 30 20 DBED C=CCO[C@H](C)C(=O)NC1[C@@H]2CN(CC(=O)N3CCC3)C[C@@H]12 1115331985 HPVJDZBNDMAXHN-JHJVBQTASA-N 307.394 -0.144 30 20 DBED C#CCNC(=O)CNC1(CNC(=O)c2nc[nH]n2)CCCCC1 1115778911 ZSFCAMINKJAJRL-UHFFFAOYSA-N 318.381 -0.424 30 20 DBED C[C@H](CN(C)C(=O)[C@@H]1CCC(=O)N1)Nc1cnc(C#N)cn1 1115788054 RDCPDBPSLXBANB-KOLCDFICSA-N 302.338 -0.114 30 20 DBED N#Cc1ccc(NC(=O)C(=O)NC[C@H](O)COCC2CC2)nc1 1117746917 QAUDIRCOQDDAIP-LBPRGKRZSA-N 318.333 -0.205 30 20 DBED C[C@@H](O)CN(C)C(=O)C(=O)N1CC(Oc2ccc(C#N)cc2)C1 1117976906 VNOAMKSCDSYSMD-LLVKDONJSA-N 317.345 -0.013 30 20 DBED C=C[C@H]1CCCCN1C(=O)C(=O)N[C@H]1CCC(=O)N(C)C1=O 1118181743 GYTRWYPLLJTTJL-QWRGUYRKSA-N 307.350 -0.183 30 20 DBED C#CCCCCNC(=O)C(=O)N1CCN([C@@H]2CCOC2)CC1 1118685234 HQCHICUABRCKTC-CQSZACIVSA-N 307.394 -0.161 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](CO)Nc1ncnc2c1cnn2C 1121213261 PCHSCEOZBFHVBT-RKDXNWHRSA-N 303.326 -0.588 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H](CO)Nc1nc(C)ncc1C 1121353145 NAZQHNROPPIWBI-GFCCVEGCSA-N 319.365 -0.878 30 20 DBED C=CCOCc1nnc(N2CCN(S(C)(=O)=O)CC2)n1C 1121448811 OMUIVCKBLYDGDJ-UHFFFAOYSA-N 315.399 -0.401 30 20 DBED CC[C@@H](C(=O)NC[C@@H](CO)N=c1cc(C)[nH]cc1C#N)N(C)C 1121812433 NGNAUQZQKKAYAL-ZFWWWQNUSA-N 319.409 -0.087 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)c1ccccn1 1122578858 FUBVGWIMJQYPHP-UHFFFAOYSA-N 305.338 -0.587 30 20 DBED CCC(=O)N[C@@H](C)C(=O)NC[C@@H](CO)Nc1cnc(C#N)cn1 1122752758 RMJIQKZYQNLLAK-ONGXEEELSA-N 320.353 -0.848 30 20 DBED CNC(=O)CC(=O)N1C[C@@H](Nc2cncc(C#N)n2)C[C@H]1C 1123202185 IHHWTNSZVOTOSG-ZJUUUORDSA-N 302.338 -0.114 30 20 DBED C=C[C@@](C)(O)CC(=O)N(C)C[C@@H](O)CNc1cncc(C#N)n1 1124267732 XOWPTWIDIHGLLM-SWLSCSKDSA-N 319.365 -0.093 30 20 DBED CO[C@@H](C(=O)N(C)C[C@@H](O)CN=c1cc[nH]c(C#N)n1)C1CC1 1124289785 JKYOJTUSBUKVSS-SMDDNHRTSA-N 319.365 -0.574 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)c1cnc(C)[nH]1 1124851208 UHSLPAHDQIDBFW-VIFPVBQESA-N 322.369 -0.562 30 20 DBED N#Cc1c[nH]c(C(=O)NCCNCc2ncnn2CCF)c1 1125390789 CHPXWBCGKUOAMC-UHFFFAOYSA-N 305.317 -0.033 30 20 DBED C#CCN[C@H]1CCN(c2cccc(CNC(=O)CC(N)=O)n2)C1 1127826190 DAIASEXEYDSHEP-ZDUSSCGKSA-N 315.377 -0.625 30 20 DBED N#CCN[C@H]1CCN(c2cccc(CNC(=O)CC(N)=O)n2)C1 1127827637 UQPHUMFKRLLJOL-LBPRGKRZSA-N 316.365 -0.735 30 20 DBED CC#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H](COC)OC)C1 1129243723 TXEGSFAZBGOKFA-HZSPNIEDSA-N 321.381 -0.696 30 20 DBED CCNC(=O)CCC(=O)N1C[C@H]2C[C@@H]3CN(CC#N)C[C@]2(C1)O3 1131196846 ACDMYXBMDHPNSA-XJKCOSOUSA-N 320.393 -0.272 30 20 DBED CC#CCN1C[C@H]2C[C@@H]3CN(C(=O)CNC(=O)CC)C[C@@]3(C1)O2 1131210885 YDLPEYBNLTWBNT-CKEIUWERSA-N 319.405 -0.162 30 20 DBED C[C@@H]1CN(C(=O)C2CC2)C[C@]2(CCN(CC(=O)NCC#N)C2)O1 1131612216 CVXDKVGFZJHCIU-MLGOLLRUSA-N 320.393 -0.272 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)Cc1ccon1)NCC(=O)NCC#N 1133990278 RKKWRQHAEDTSNS-WDEREUQCSA-N 307.354 -0.270 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)C[C@H](C)NCC#CCOC 1134130340 GPTSHRAAUDQRNM-UONOGXRCSA-N 307.394 -0.351 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)C[C@@H](C)NCc1cnon1 1134131114 QSAPCVWYXQFNOU-GHMZBOCLSA-N 307.354 -0.418 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC2(CN(C(=O)c3cnco3)C2)C1 1148005585 WXWVZFHUCMJHSM-GFCCVEGCSA-N 316.361 -0.040 30 20 DBED CC(C)Oc1cccnc1C(=O)NCCNCC(=O)NCC#N 1149477162 PFHCAUPRJYLNAA-UHFFFAOYSA-N 319.365 -0.172 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H](CC)N1CCCC1=O 1151540461 PKDRMVUHCQEUBU-CHWSQXEVSA-N 324.425 -0.216 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1c(C2CC2)cnn1C 1159695026 VSSGXGYLOFUECL-UHFFFAOYSA-N 317.393 -0.244 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@H]1CCCN(C(C)=O)C1 1162054344 OUBIHMFDVKBSGY-AWEZNQCLSA-N 322.409 -0.910 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1cnc(C2CC2)nc1 1167708586 ZOKBGSDLVWPREL-UHFFFAOYSA-N 315.377 -0.187 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)CC2OCCCO2)[C@H]1C 1178551615 NHNKCGRWFGWCRQ-STQMWFEESA-N 323.393 -0.532 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)Cc2n[nH]c(C)n2)[C@H]1C 1178648807 MUQVLDBJVFHLNT-JQWIXIFHSA-N 320.397 -0.463 30 20 DBED C[C@@H](N[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1)C(=O)NC(N)=O 1181906751 LSXAMXDUBUMFNV-PSASIEDQSA-N 318.337 -0.726 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](CNCCOC)[C@H](C)C1 1184239867 CYBNIHPJADFYIY-ZIAGYGMSSA-N 309.410 -0.154 30 20 DBED CNS(=O)(=O)CC(=O)N1CC[C@H](CNCC#N)[C@@H](C)C1 1185708664 BYWDFYXUOLFDCT-WDEREUQCSA-N 302.400 -0.867 30 20 DBED C=CCNC(=O)CN1C[C@@H]2CCN(C(=O)CC(C)(C)O)[C@@H]2C1 1187729194 NDAMSEPOAOEFDC-QWHCGFSZSA-N 309.410 -0.018 30 20 DBED CN(C)CC1(C(=O)N2CC[C@@H](N(C)CC(=O)NCC#N)C2)CC1 1191999867 YVGDRVMGFFFBNB-CYBMUJFWSA-N 321.425 -0.499 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)CCc2cnn[nH]2)C1 1192406559 JTGFMUVLVAMAQA-CYBMUJFWSA-N 318.381 -0.981 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@]2(CC(C)C)CCNC2=O)C1 1193912335 WSYHXDIVEJALQQ-IOASZLSFSA-N 307.394 -0.667 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)Cn2cncn2)C1 1193916621 VKTQYRPYUYZBQJ-LBPRGKRZSA-N 306.370 -0.887 30 20 DBED Cc1ncncc1C(=O)N1CCCN(CC(=O)NCC#N)CC1 1194944655 CZJRYNBUVINVDS-UHFFFAOYSA-N 316.365 -0.427 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2ccc(OC)o2)C1 1197131819 WKJBLKBHAFUGIU-GHMZBOCLSA-N 323.349 -0.635 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)CCOCCOC)C1 1199323753 JJZCBKNVDWKORK-VXGBXAGGSA-N 306.790 -0.047 30 20 DBED C#CCNC[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)C2)CCCO1 1200909968 CBUUCDUODFPIKM-QWHCGFSZSA-N 314.407 -0.739 30 20 DBED C=CCOCCNC1CCN(C(=O)CN2CC(=O)NC2=O)CC1 1202967062 FYUOBDDQBISYJE-UHFFFAOYSA-N 324.381 -0.679 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(CCN2C(=O)CCC2=O)C[C@H]1C 1206585936 ICKIDWWJFVBNJM-CHWSQXEVSA-N 323.393 -0.226 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@@H](NCc2cnns2)C1 1207873010 ZAGXCDCGBGQLRL-LLVKDONJSA-N 321.406 -0.242 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC[C@@H](NCCS(C)(=O)=O)C1 1208018880 VVTWIVAYRBDIPC-QWHCGFSZSA-N 316.423 -0.350 30 20 DBED C=CCOCCN1C[C@@H](NC(=O)CCn2cnnn2)[C@H](C)C1 1209723555 SIUXADCTTDONJB-CHWSQXEVSA-N 308.386 -0.298 30 20 DBED C#CCCN[C@H]1CCCN(C(=O)CN2C(=O)NC(C)(C)C2=O)C1 1210926171 UOLQKWJOCSADTG-LBPRGKRZSA-N 320.393 -0.079 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCCN(C(=O)c2ccn(C)n2)C1 1211082924 ZWYALTDWWWQYKN-QWHCGFSZSA-N 317.393 -0.248 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2cscn2)[C@H](OC)C1 1211997288 ODXTZBKOGUGWFG-ZYHUDNBSSA-N 322.390 -0.679 30 20 DBED C=C(C)CN1C[C@@H](NC(=O)[C@H](C)NS(C)(=O)=O)[C@H](OC)C1 1213491112 JQTIBQFEASMOOP-QJPTWQEYSA-N 319.427 -0.684 30 20 DBED C#CCCN1C[C@@H](NC(=O)CC(=O)NCC2CC2)[C@H](OC)C1 1213697317 QCTRIRCADDOCGW-ZIAGYGMSSA-N 307.394 -0.259 30 20 DBED Cc1nnc(COCC(=O)N[C@@H]2CN(CC#N)C[C@@H]2O)s1 1219951504 MWEHKQDTQHGCOO-ZJUUUORDSA-N 311.367 -0.952 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C(C)(C)C(C)(C)C)C1 1220149161 AKVFLYCBVINSSE-OLZOCXBDSA-N 323.437 -0.031 30 20 DBED N#CCNC(=O)CN1CC[C@@H]2CN(C(=O)[C@@H]3CC3(F)F)[C@@H]2C1 1221526746 YVJPVWOLTAADCQ-OUAUKWLOSA-N 312.320 -0.186 30 20 DBED C=CCN1CC[C@@H]2CN(C(=O)CCS(=O)(=O)N(C)C)[C@@H]2C1 1222042535 DBFQCYMTBSWIOW-CHWSQXEVSA-N 315.439 -0.013 30 20 DBED C=CCOCCN1CCC(CNC(=O)Cn2ncnn2)CC1 1223211314 JEZQFHMRKJYQFP-UHFFFAOYSA-N 308.386 -0.296 30 20 DBED C=CCN1CC[C@H](N2CC[C@@H]2CN(C)C(=O)CC(=O)NC)C1=O 1233878981 BTTQRDFOIMIESG-OLZOCXBDSA-N 322.409 -0.558 30 20 DBED C[C@H](C(=O)NCCCN(C)CC(=O)NCC#N)n1cccn1 1234261731 OMSARGUKQCCHRK-GFCCVEGCSA-N 306.370 -0.478 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCC[C@H](C(=O)NC2CC2)C1 1260310074 SQQVEJWMQZPXCL-LBPRGKRZSA-N 321.377 -0.730 30 20 DBED CC#CCCNC(=O)C(=O)N[C@H]1CCc2nc(COC)nn2C1 1261158368 RQHMZQHGXRZQNH-NSHDSACASA-N 319.365 -0.615 30 20 DBED COCC#CCN1CCN(CCNC(=O)[C@H]2CCCN2C)CC1 1316967223 VZTMGYCEWCYFFK-MRXNPFEDSA-N 322.453 -0.536 30 20 DBED CCN(C)C(=O)[C@@H](C)NC(=O)C(=O)Nc1ccn(CCC#N)n1 1320677650 ZLEXYCGCOBQDEJ-SNVBAGLBSA-N 320.353 -0.282 30 20 DBED CNCCCc1[nH]nc(NC(=O)[C@H]2CCC(=O)N2C)c1C#N 1322776280 NYQZJPGDEWQLBT-LLVKDONJSA-N 304.354 -0.007 30 20 DBED COCCn1cc(CNC(=O)C(=O)N2CC[C@](F)(C#N)C2)cn1 1323436110 QTQVTEYXBNYJQM-AWEZNQCLSA-N 323.328 -0.390 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1323584644 HWWKWRMKTBUFKR-HBNTYKKESA-N 320.411 -0.416 30 20 DBED N#CCC1(CNC(=O)C(=O)N2CCC[C@@H](CNC(N)=O)C2)CC1 1324127281 YMRHRCRZAXMXKG-NSHDSACASA-N 321.381 -0.297 30 20 DBED C=CC1CCN(C(=O)C(=O)NC[C@@H]2CCS(=O)(=O)C2)CC1 1325643110 UDWNIEJEOLALJV-LBPRGKRZSA-N 314.407 -0.038 30 20 DBED C=CCN(CC=C)C(=O)C(=O)N1C[C@@H](O)C[C@@H](C(=O)OC)C1 1326512182 CGJNFDAOUQUXFU-NEPJUHHUSA-N 310.350 -0.431 30 20 DBED C[C@@H](CNC(=O)C(=O)N1CCO[C@@H](C#N)C1)CN1CCCC1 1327695589 HOWOWTQHYYSRKC-STQMWFEESA-N 308.382 -0.415 30 20 DBED C#CCCCCNC(=O)C(=O)NC[C@@H]1CC[C@H](C(=O)N(C)C)O1 1329047213 XQVCZYPTCYQIGF-QWHCGFSZSA-N 323.393 -0.342 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N[C@@H]1C[C@@H](OCC)[C@H]1OC 1329832252 AILIXLPFHYVGKD-UPJWGTAASA-N 314.382 -0.044 30 20 DBED N#CC[C@H]1CCCN(C(=O)C(=O)NCCN2C(=O)CCC2=O)C1 1330464586 AWRKZEQTMCYYLI-LLVKDONJSA-N 320.349 -0.596 30 20 DBED C=CCSCCn1nnnc1N1CCN2C(=O)NC[C@@H]2C1 1335241889 FKIRYWBDLQNIQW-SNVBAGLBSA-N 309.399 -0.194 30 20 DBED C=CCn1c(N(C)CCNC(C)=O)nnc1[C@]1(C)CNC(=O)C1 1340331737 OXMOORYOOFFQIH-HNNXBMFYSA-N 320.397 -0.186 30 20 DBED C=CCn1c(-c2nc[nH]n2)nnc1N1CCN(C)C(=O)[C@@H]1C 1340451506 WRQWUUUXWNILFG-VIFPVBQESA-N 302.342 -0.084 30 20 DBED C=CC1CCN(C(=O)C(=O)N2C[C@@H](C(=O)OC)C[C@@H](O)C2)CC1 1345966979 WMLIZHYSHHMMOL-QWHCGFSZSA-N 324.377 -0.207 30 20 DBED C=CCNC(=O)Cn1nnnc1N1CCC(CCCO)CC1 1352315736 XDRNFRVUVYZTOQ-UHFFFAOYSA-N 308.386 -0.036 30 20 DBED N#C[C@H]1CC[C@@H](NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1 1352348741 SNCGZTYTFGBDDZ-OUCADQQQSA-N 315.377 -0.006 30 20 DBED C#CCSCCn1nnnc1N1CCO[C@@H](C(=O)OC)C1 1355605395 INERXTWQWWXHKD-SNVBAGLBSA-N 311.367 -0.582 30 20 DBED COc1ccc(NC(=O)CNC(=O)CNC(C)=O)cc1C#N 1362796724 ROEADXGGQFLDBC-UHFFFAOYSA-N 304.306 -0.242 30 20 DBED Cc1c(C#N)c(=O)n(CCCS(N)(=O)=O)c(=O)n1C1CC1 1364302388 PWOQGIUXQGHHFC-UHFFFAOYSA-N 312.351 -0.796 30 20 DBED CC(C)(CC#N)CS(=O)(=O)NC[C@@H]1CC[C@H](C(N)=O)O1 1364792137 BVSDMUBZJYJTAX-VHSXEESVSA-N 303.384 -0.121 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)[C@@H]2COC(=O)N2)CCCC1 1375286211 WNSMACRUPOZNBI-UWVGGRQHSA-N 308.338 -0.200 30 20 DBED CCN(CCNC(=O)[C@H]1CCC(=O)N1)C(=O)c1ccc(C#N)[nH]1 1387164083 NWSRLATXHMIPDQ-LLVKDONJSA-N 317.349 -0.257 30 20 DBED CC[C@H](CNC(=O)c1cc(=O)n(C)cn1)NC(=O)[C@H](C)C#N 1388117301 ZJRGFHUEFGKOER-NXEZZACHSA-N 305.338 -0.435 30 20 DBED CNC(=O)NCCC(=O)NCC1CCN(C(=O)[C@@H](C)C#N)CC1 1396858536 FCRDXEGZFZFSNW-NSHDSACASA-N 323.397 -0.180 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CCNC(=O)Cn2cnnn2)CC1 1399221750 SOTRSHLCJXLOQB-LLVKDONJSA-N 319.369 -0.422 30 20 DBED N#CCc1cccc(C(=O)N2CCN(CC(N)=O)C(=O)C2)c1 1413143132 PFHJQUIAWCFFOV-UHFFFAOYSA-N 300.318 -0.478 30 20 DBED COCCN(CCNC(=O)[C@H](C)C#N)C(=O)[C@@H]1CCC(=O)NC1 1413513386 FKTNLJRSUGZCNK-VXGBXAGGSA-N 324.381 -0.737 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N1CC[C@@H](C(=O)N(C)C)C1 1414284208 WXBHBFICKQFOPO-WDEREUQCSA-N 302.400 -0.125 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H](C)CNC(=O)Cn1ccc(O)nc1=O 1426695853 HKVBQCQCKHGZLB-VHSXEESVSA-N 321.337 -0.928 30 20 DBED C=C(Cl)CNC[C@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 1442161596 UQBWZLHNNMDRTF-GFCCVEGCSA-N 314.817 -0.391 30 20 DBED N#Cc1ccccc1CNC[C@@H](O)CNC(=O)[C@H]1COCCO1 1445164081 SHQAIFMJJRCNDQ-HUUCEWRRSA-N 319.361 -0.460 30 20 DBED CN(CCNC(=O)[C@@H]1CCNC(=O)C1)C(=O)c1c[nH]c(C#N)c1 1448799239 OQWIBXJSJHZUJJ-SNVBAGLBSA-N 317.349 -0.399 30 20 DBED Cc1nc(CS(=O)(=O)N2CCN(C3CC3)[C@@H](C#N)C2)no1 1464276625 XXWTXVPREKPMDK-NSHDSACASA-N 311.367 -0.120 30 20 DBED CNC(=O)NCCC(=O)NC[C@@H]1CCCN(C(=O)[C@@H](C)C#N)C1 1494279767 OSXLOAGUYHUDBJ-RYUDHWBXSA-N 323.397 -0.180 30 20 DBED C[C@H](C#N)C(=O)N(C)C1CCN(C(=O)Cc2nc[nH]n2)CC1 1510169035 KNGPRSDYUMGICL-SNVBAGLBSA-N 304.354 -0.044 30 20 DBED CN1CCN(S(=O)(=O)N2CCC(C#N)(C(=O)O)CC2)CC1 1571131403 FLHQSACNTJVSLJ-UHFFFAOYSA-N 316.383 -0.831 30 20 DBED N#Cc1nc(N2CCCS(=O)(=O)CC2)cnc1-c1nn[nH]n1 1581879499 NMEKQWKPPQGXRJ-UHFFFAOYSA-N 320.338 -0.847 30 20 DBED C#CCN1CCC(C(=O)N2C[C@@H](C(=O)O)[C@@H](C(=O)OC)C2)CC1 1588471149 BANQNQSXSVCKCA-OLZOCXBDSA-N 322.361 -0.336 30 20 DBED N#CCCNC(=O)CN1CCC(N2C[C@@H](C(=O)O)CC2=O)CC1 1594609912 DQRXDJRUGBBUDE-NSHDSACASA-N 322.365 -0.586 30 20 DBED CN(CCCN(C)C(=O)[C@H]1C[C@@H]1C(=O)O)CC(=O)NCC#N 1598477616 SOTCGFKCTAGTEY-QWRGUYRKSA-N 310.354 -0.873 30 20 DBED N#CCCn1ccc(NC(=O)C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3C(=O)O)n1 1601068901 WMRIRGBFIUSOSP-JZYVYDRUSA-N 317.305 -0.476 30 20 DBED N#Cc1ccc(N2CCN([C@@]3(C(=O)O)CCOC3)CC2)nc1N 1601105823 FXECQZKPUQNBPT-HNNXBMFYSA-N 317.349 -0.099 30 20 DBED C=C[C@@H]1OCC[C@H]1CNC(=O)NCCn1cc(C(=O)O)nn1 1602941684 ADSAJDQKBPYESC-ONGXEEELSA-N 309.326 -0.133 30 20 DBED COC(=O)N(C)CC(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[nH]1 1604945305 VQWCFBGASQAFOH-UHFFFAOYSA-N 305.258 -0.902 30 20 DBED N#Cc1ncn(CCNC(=O)[C@@H]2CCCN2C(=O)C2CC2)n1 1647244025 IZBHBVSDZQMSMM-NSHDSACASA-N 302.338 -0.333 30 20 DBED N#C[C@H]1CN(C(=O)c2ccc(S(N)(=O)=O)s2)CCO1 1649697671 NMGVZWTYJIYZJD-ZETCQYMHSA-N 301.349 -0.240 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC[C@H](NC(=O)c2nonc2C)C1 1732092667 GCJXDMSYDUUXHY-RYUDHWBXSA-N 319.365 -0.290 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCN(Cc2nc(N(C)C)no2)C1 1732153986 CTAGSKWQWCHQFT-GFCCVEGCSA-N 321.381 -0.134 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H](CNC(=O)c1cn[nH]c1)C1CC1 1752451985 QSFLGIFULLIPID-MFKMUULPSA-N 303.366 -0.354 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1C[C@H](NC(=O)[C@@H]2CCN(C)C2)C1 1752682976 WMWRAKGNZCUUKK-CRWXNKLISA-N 306.410 -0.687 30 20 DBED COCC#CCN1CCCC[C@@H]1CNC(=O)CCNC(N)=O 1752824807 DUSFLCWQUSDHLY-CYBMUJFWSA-N 310.398 -0.335 30 20 DBED COC[C@H](C)C(=O)NC1CCC(NCC(=O)NCC#N)CC1 1752848603 OKEIEGAHZHLABL-HIFPTAJRSA-N 310.398 -0.074 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C[C@H]1CN2C(=O)c1cnns1 1753418008 ZUKLNSYCMQPFKP-UWVGGRQHSA-N 305.363 -0.814 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1ncc[nH]1 1753420252 QFYNJKJUYSBFFA-SRVKXCTJSA-N 303.366 -0.001 30 20 DBED CCN(C(=O)C[C@H](C)OC)[C@@H]1CCN(CC(=O)NCC#N)C1 1753453180 MMCNFKLUNVOTPL-QWHCGFSZSA-N 310.398 -0.026 30 20 DBED C#CCNC(=O)CN(C)CCN(C)C(=O)c1cc(COC)on1 1753865367 RUCPJEVSJSEUBF-UHFFFAOYSA-N 322.365 -0.426 30 20 DBED C=CCCNC[C@@H]1CCC[C@@H]1NC(=O)CN1C(=O)CNC1=O 1753897487 KLRGPKUTOYVJML-RYUDHWBXSA-N 308.382 -0.011 30 20 DBED C=CCOCCN(C)C[C@H](C)NC(=O)C1CC(=O)NC(=O)C1 1754334967 DKBCLZSCHHAXOS-NSHDSACASA-N 311.382 -0.322 30 20 DBED C=C[C@](C)(O)CC(=O)N(C)C1CN(C[C@@H](O)Cn2cccn2)C1 1754574245 MKRJTKUDDFACHR-ZBFHGGJFSA-N 322.409 -0.286 30 20 DBED C#CCCN1CC[C@](O)(CNC(=O)c2cn(C)ccc2=O)C1 1754752625 MLSWHIHDIUIKAR-INIZCTEOSA-N 303.362 -0.425 30 20 DBED C#CCOCCC(=O)N1CCO[C@@H](CN[C@H](CC)C(N)=O)C1 1755002450 RDPRRMVACAQMMK-QWHCGFSZSA-N 311.382 -0.893 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC(CO)(NC(=O)C2CCC2)CC1 1755175682 CWKZMLUOZBJAFY-CYBMUJFWSA-N 321.421 -0.133 30 20 DBED C=CCNC(=O)CNCC1CC(NC(=O)[C@]2(C)CCC(=O)N2)C1 1755218822 RFYXWIPRAMZDFP-PPUFBPAQSA-N 322.409 -0.558 30 20 DBED Cc1cnn(CC(=O)N[C@@H](C)[C@H](C)NCC(=O)NCC#N)c1 1755228922 VGYSTHGRLZCITN-RYUDHWBXSA-N 306.370 -0.686 30 20 DBED Cc1cc(C(=O)N[C@@H](C)[C@@H](C)NCC(=O)NCC#N)cnn1 1755234657 SFIVRTAZRGPYKA-MNOVXSKESA-N 304.354 -0.479 30 20 DBED C[C@H](CN(C)C(=O)[C@H]1C[C@@H]1C(F)F)NCC(=O)NCC#N 1755585170 LHQCIKLVAXTWLF-UTLUCORTSA-N 302.325 -0.036 30 20 DBED C#CCN[C@@H]1C[C@H](C)N(C(=O)CCC(=O)N2CCOCC2)C1 1755690453 WGXOIQVORGKXEP-UONOGXRCSA-N 307.394 -0.162 30 20 DBED C#CCCN[C@H]1C[C@@H](C)N(C(=O)CN(C)S(=O)(=O)CC)C1 1755691484 XVZFCFUPWMYXJC-OLZOCXBDSA-N 315.439 -0.130 30 20 DBED C=CCCOCC(=O)N1CC([C@@H](C)NC(=O)CNC(C)=O)C1 1756128458 TZWAERLGAPSCAC-LLVKDONJSA-N 311.382 -0.322 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC([C@@H](C)NC(=O)Cc2nc[nH]n2)C1 1756161837 XEIGDTJZBWRMLE-MNOVXSKESA-N 321.381 -0.099 30 20 DBED COc1cc(C=NNC(=N)N)c([N+](=O)[O-])cc1OCC(=O)O 1776033074 VYFRUKYHQHWCCA-UHFFFAOYSA-N 311.254 -0.116 30 20 DBED CC(=O)N[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)CC#N)CCO2)C1 1783169818 LSTFPXVQCJCDIP-ABAIWWIYSA-N 322.365 -0.745 30 20 DBED CC[C@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)S)C2)C1 1783889025 OSEWSIZLDUJTTQ-MJVIPROJSA-N 316.423 -0.095 30 20 DBED CC(C)(NCCC#N)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN 1795968781 PIUSJBCRYIUTPO-CLLJXQQHSA-N 321.425 -0.135 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)C1CC(O)C1)C2 1841598247 YLMXHVLUXOINJO-HSBZDZAISA-N 320.389 -0.001 30 20 DBED C#CC(=O)N1CCCC12CN(C(=O)[C@@H](N)Cc1cccnc1)C2 1845958840 CGMJDLKIJIIRNA-AWEZNQCLSA-N 312.373 -0.212 30 20 DBED N#CCC(=O)N1CC2(CCCN2C(=O)COc2cccnn2)C1 1846592322 HNDDOTAMDNVUKS-UHFFFAOYSA-N 315.333 -0.028 30 20 DBED CC(C)(C#N)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cnnn1 1847347239 XHJZZZUCVXVSND-QWRGUYRKSA-N 317.353 -0.575 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](C)NC=O 1847813787 SGHNFFOZCPGDJW-XUXIUFHCSA-N 323.393 -0.086 30 20 DBED Cn1nncc1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CCC#N 1848279725 WCGSANHIPAEINI-QWRGUYRKSA-N 302.338 -0.066 30 20 DBED N#Cc1ccc(N2CCN(C(=O)CSCC(N)=O)CC2)nc1 60409523 WTCVDODJTQNCRK-UHFFFAOYSA-N 319.390 -0.180 30 20 DBED N#Cc1ccc(N2CC[C@@H](N3CCO[C@@H](C(N)=O)C3)C2=O)cc1 65263344 ZZOHGMJLXBLANE-ZIAGYGMSSA-N 314.345 -0.150 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN([C@H](C)C(=O)NCC=C)CC1 70738740 NGHAEXBHBADHPV-ZIAGYGMSSA-N 308.426 -0.015 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)CN2CCOCC2)CC1 73298983 VJCNREAUZNMDMY-CQSZACIVSA-N 324.425 -0.847 30 20 DBED N#Cc1cc(F)ccc1CN1CCN2C(=O)C(=O)NC[C@H]2C1 152663196 CVKRBTZFACLOFZ-ZDUSSCGKSA-N 302.309 -0.160 30 20 DBED C/N=C(\NCC(=O)Nc1cccnc1)N1CCO[C@H](COC)C1 261780289 FJJIBVWCXXTOQX-ZDUSSCGKSA-N 321.381 -0.057 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)COCC2CC2)CC1 265043187 QKHZIPVBOLRZOO-UHFFFAOYSA-N 307.394 -0.303 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@H](C)NC[C@@H]2C)C1=O 272634743 WTKZCYCEJHRAHP-UWVGGRQHSA-N 308.338 -0.828 30 20 DBED CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)C(=O)/C=N/OC)C1 283827895 ZKNFXOZYGMWJKC-OXFWXOROSA-N 313.354 -0.121 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2CCCCO2)C1=O 285481184 MGZRXIUNPBPIAE-STQMWFEESA-N 323.393 -0.083 30 20 DBED C=CCN(CC=C)C(=O)C(=O)N[C@H](CC)C(=O)N1CCOCC1 288320230 USHXWXCLCQIYCR-CYBMUJFWSA-N 323.393 -0.059 30 20 DBED COCCNC(=O)CN1CCN(c2nccnc2C#N)CC1 301180205 MVQPUSMZXNXCCI-UHFFFAOYSA-N 304.354 -0.767 30 20 DBED COC[C@H](C)N/C(N)=N/CCCN1CCC[C@H]1C(=O)N(C)C 303982502 QDVKXHNDQRKTGG-STQMWFEESA-N 313.446 -0.132 30 20 DBED C[C@@](CO)(NS(=O)(=O)c1cccc(F)c1C#N)C(=O)O 313536072 HPVFNJZDOUMPGI-NSHDSACASA-N 302.283 -0.189 30 20 DBED CN(/C(O)=N/C[C@H]1CCN(S(C)(=O)=O)C1)C1CC(O)C1 329546347 DKNNHKSDDMMXSU-KPPDAEKUSA-N 305.400 -0.363 30 20 DBED C=CC/N=C(/O)NC(=O)CN1CCC[C@@H](S(C)(=O)=O)C1 330889861 GXSBGLYVKUMYME-SNVBAGLBSA-N 303.384 -0.288 30 20 DBED CC(=O)N[C@@H]1CCCN(C(=O)Cn2cccc(C#N)c2=O)C1 330951715 PZGBUNYIEMNESX-CYBMUJFWSA-N 302.334 -0.153 30 20 DBED COC(=O)[C@@H]1[C@@H](O)CCCN1CC(=O)N/C(O)=N/CC(C)C 331285175 GGHDCDHXXPMODC-JQWIXIFHSA-N 315.370 -0.329 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)c2ccc(=O)n(C)c2)CC1 343038032 BFSXQYZLSYRBPV-UHFFFAOYSA-N 318.377 -0.555 30 20 DBED C=CCCN(C)C(=O)CCS(=O)(=O)NCC(=O)NC(C)C 346844056 KQCMWXRIJQSVMJ-UHFFFAOYSA-N 319.427 -0.145 30 20 DBED C=C[C@H](CO)NC(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 356852581 GMNSEQFPKZYKSX-AIPRNEOBSA-N 308.334 -0.798 30 20 DBED C=C[C@H](CO)NC(=O)N[C@H]1CCC(=O)N(C)[C@@H]1c1ccnn1C 359464954 FJYJOOIZRDMIEP-SUNKGSAMSA-N 321.381 -0.072 30 20 DBED C=CCN1CC(=O)N([C@@H]2CCN(c3cnn(C)c3)C2=O)C1=O 372920583 QERUORBFAQXOQU-LLVKDONJSA-N 303.322 -0.024 30 20 DBED CN1CCNC[C@@H]1CNS(=O)(=O)c1ccc(C#N)s1 394465479 VYQKLLRSWYOJDH-SECBINFHSA-N 300.409 -0.198 30 20 DBED N#Cc1ccc(NCC(=O)N[C@H](CO)CN2CCCCC2)nc1 413796056 CNPSASSASVWEER-AWEZNQCLSA-N 317.393 0.328 30 20 DBED C[C@@H]1CC[C@@H](C(=O)O)CN1S(=O)(=O)N1CCO[C@@H](C#N)C1 424383008 AGEXJGSDKKYURH-MXWKQRLJSA-N 317.367 -0.359 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H]2CC[C@@H](C)O2)C1=O 457359340 IBVCUMFCISHKQJ-NXEZZACHSA-N 309.322 -0.353 30 20 DBED C#CCNC(=O)CN1CCN(Cc2ncnn2CCF)CC1 491719326 YYWLRYDQFFHRMZ-UHFFFAOYSA-N 308.361 -0.885 30 20 DBED CS(=O)(=O)N1CC(CNC(=O)COc2ccccc2C#N)C1 492743058 FVWQDLGHFMHATB-UHFFFAOYSA-N 323.374 -0.055 30 20 DBED N#CC[C@@]1(O)CCN(S(=O)(=O)CCCN2CCOCC2)C1 592077457 FUKWSOSHBDMKQD-CYBMUJFWSA-N 317.411 -0.611 30 20 DBED CS(=O)(=O)NC1CC(NCc2cnc3c(C#N)cnn3c2)C1 592510029 MPSORBYKSQPRPV-UHFFFAOYSA-N 320.378 -0.229 30 20 DBED CC[C@H](C#N)N(C)C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 594101314 UYEDYFIVMFMWRZ-SECBINFHSA-N 318.337 -0.806 30 20 DBED N#CCCn1ccc(NC(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)n1 610743478 STRIZVRBMCBJQP-ZJUUUORDSA-N 306.326 -0.049 30 20 DBED C[C@@](O)(C(=O)NCC#CCNC(=O)[C@](C)(O)C1CC1)C1CC1 672236123 QJWAKCDUTLWRSZ-IYBDPMFKSA-N 308.378 -0.456 30 20 DBED Cn1c(N)c(C=NNc2ncccc2[N+](=O)[O-])c(=O)n(C)c1=O 759202354 FJUCQLLTZGMJOC-UHFFFAOYSA-N 319.281 -0.585 30 20 DBED CSCCNC(=S)NN=Cc1cn(C)c(=O)n(C)c1=O 769603096 URCWUYYYPRSLHD-UHFFFAOYSA-N 315.424 -0.755 30 20 DBED CCOC(=O)CON=C(C(=O)N1CCCOCC1)c1cc[nH]n1 772154703 GMTRYTLZYKGOMP-UHFFFAOYSA-N 324.337 -0.058 30 20 DBED C#C[C@@H](NC(=O)C1CCN(S(C)(=O)=O)CC1)[C@H]1CCCO1 772896776 JZZFIRFGBSIGGR-CHWSQXEVSA-N 314.407 -0.045 30 20 DBED N#C[C@]1(F)CCN(C(=O)C2=CC=CN3CCS(=O)(=O)N=C23)C1 786233198 MWFZSQSQEYQHAD-CYBMUJFWSA-N 324.337 -0.052 30 20 DBED C#CCCCNC(=O)C(=O)N1CCN(C[C@@H]2CCCO2)CC1 806909252 BEZFHYSGJDSDOC-AWEZNQCLSA-N 307.394 -0.161 30 20 DBED C[C@@](C#N)(CC(=O)O)C(=O)NCCC(=O)N=c1cc[nH]cc1 819835793 YAIKNAXODJHANC-AWEZNQCLSA-N 304.306 -0.047 30 20 DBED N#C[C@H]1COCCN1S(=O)(=O)c1ccccc1-c1nn[nH]n1 826380787 MOYBUYBZFAPYFH-VIFPVBQESA-N 320.334 -0.220 30 20 DBED C#CCNC(=O)CN1CCN(S(=O)(=O)[C@@H](C)CCC)CC1 845853242 YYGCBEFBHIMCCO-ZDUSSCGKSA-N 315.439 -0.128 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCCCOCOC)C1=O 848171219 JKIJDWMICSSGOY-UHFFFAOYSA-N 313.310 -0.910 30 20 DBED C#CCSCCNC(=O)N[C@H]1CS(=O)(=O)C[C@H]1OC 852137810 XKLZUPJXXIVXCX-VHSXEESVSA-N 306.409 -0.536 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CC[C@H](C)[C@H](CO)C1)[C@H]1CCCO1 857086858 YKIOWMLYNQXDDQ-XDQVBPFNSA-N 308.378 -0.240 30 20 DBED C#CC[C@@H](CCOC)NC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1 863781484 MRUDULKNHWUCKP-NEPJUHHUSA-N 317.411 -0.554 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N1CC[C@@](C)(C(=O)OC)C1 875597498 DPGNTRDCVSFNEJ-BLLLJJGKSA-N 324.377 -0.057 30 20 DBED CCOC(=O)[C@H]1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)C1 921726015 PTMWKDMTQYUJHD-WDEREUQCSA-N 317.367 -0.659 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)[C@@H]3CCNC3=O)C2)[nH]1 942001169 GYDVJGXJFWAOOP-GHMZBOCLSA-N 315.333 -0.647 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@H](CNC(=O)c2csnn2)C1 944681124 JZNCZDIYMWUDIJ-DTWKUNHWSA-N 309.351 -0.345 30 20 DBED CO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)Cn1cncn1 946847908 ZEINNCKKBPBRQB-CHWSQXEVSA-N 317.349 -0.967 30 20 DBED C=CCN1CC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C[C@H]1C 948068997 AFQGBVBNLOGRKZ-GHMZBOCLSA-N 306.370 -0.468 30 20 DBED CC[C@@H]1CN(C(=O)C(N)=O)CC[C@H]1NC(=O)c1cc(C#N)c[nH]1 948524078 BXSQLXQRZUJKQM-GHMZBOCLSA-N 317.349 -0.271 30 20 DBED C=CCN1C[C@@H](O)[C@H](CNC(=O)c2nccn3ccnc23)C1 958417509 LOAGXVWXTXYGIQ-VXGBXAGGSA-N 301.350 -0.062 30 20 DBED CCc1cnc(O)c(C(=O)NC[C@H]2CN(CC#N)C[C@@H]2O)c1 958549288 WFUGDSYFHOFDOK-AAEUAGOBSA-N 304.350 -0.104 30 20 DBED CC#CCN1C[C@@H](O)[C@H](CNC(=O)c2noc3c2COCC3)C1 958724620 RHHUDRQCGQZZPM-DGCLKSJQSA-N 319.361 -0.207 30 20 DBED CN(C(=O)[C@H]1CCCN1C)[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 958739147 IEGAPOTYXIDVHR-ILXRZTDVSA-N 319.405 -0.476 30 20 DBED C#CCCN1C[C@H](O)[C@H](CNC(=O)c2cnc(OCC)cn2)C1 958763152 QPEKMHLKWKIGKG-OCCSQVGLSA-N 318.377 -0.079 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)C(C)C)C1 961611070 YQJYVSBAAAFGRZ-RDBSUJKOSA-N 307.394 -0.572 30 20 DBED CC#CCN1CC[C@@H](C)[C@@H](NC(=O)CN2CCNC(=O)C2)C1 967725396 UBTXFYRSRXTIPB-KGLIPLIRSA-N 306.410 -0.732 30 20 DBED CC1CCN(CC(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)CC1 970070956 DNIRUSDANTZSKU-MJBXVCDLSA-N 322.409 -0.434 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H]2[C@H](NC(=O)[C@H]3CN(C)C(=O)N3)[C@H]2C1 976947187 URLOFQMTHQOKLK-KXNHARMFSA-N 320.393 -0.205 30 20 DBED N#Cc1cc(C(=O)N2C[C@H]3[C@H](NC(=O)c4cnon4)[C@H]3C2)c[nH]1 977031395 OSHSQVOSMHJBDY-IAZYJMLFSA-N 312.289 -0.230 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]1CN(C)C(=O)c1c[nH]c(=O)cn1 978280215 NLMKVRFABHRKHD-ZJUUUORDSA-N 303.322 -0.398 30 20 DBED N#CCN1C[C@H]2[C@H](CNC(=O)[C@@H]3Cc4cncn4C(=O)N3)[C@H]2C1 978519412 HHTDPVAIWUVEKN-RVMXOQNASA-N 314.349 -0.817 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCCN(Cc3nnn(C)n3)C2)C1 981671721 FWIRNAVYGNUEFZ-LLVKDONJSA-N 303.370 -0.206 30 20 DBED CC#CCN1CCCC2(C1)CN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)C2 982009496 ULKRXLDSJRCSKH-UONOGXRCSA-N 319.405 -0.033 30 20 DBED C#Cc1ccc(C(=O)N2CCC[C@H](N(C)C(=O)C(N)=O)C2)cn1 984437908 ACBLOCGHEYNNOG-ZDUSSCGKSA-N 314.345 -0.389 30 20 DBED C[C@@H]1[C@@H](NCc2nnnn2C)CCN1C(=O)c1cc(C#N)c[nH]1 986133561 NIPAYKOLRPRLFD-KOLCDFICSA-N 314.353 -0.197 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CN(C)C(=O)[C@H]2CCNC2=O)CC1 988631732 WMEGIJJPULTZHU-YPMHNXCESA-N 320.393 -0.021 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCN(C(=O)CC)C[C@@H]2O)nn1 991488627 KZALBNJUXOOFSJ-JQWIXIFHSA-N 307.354 -0.434 30 20 DBED C=C1CCC(C(=O)N[C@H]2CCN(C(=O)C(N)=O)C[C@@H]2O)CC1 991761263 WRLDFFVIVGVDNO-RYUDHWBXSA-N 309.366 -0.704 30 20 DBED C[C@H](C#N)C(=O)N1CC(NC(=O)[C@@H]2CCc3nnc(O)n3C2)C1 994579976 KXHBIQXOBNUPFK-RKDXNWHRSA-N 318.337 -0.967 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)c2cnc3n2CCOC3)C1 994834385 OQLXLXXURLYSOX-VIFPVBQESA-N 303.322 -0.486 30 20 DBED C=CCN[C@H]1CN(C(=O)Cn2ccc(O)nc2=O)CC1(C)C 996007454 ODLAUEIRFHRTBA-NSHDSACASA-N 306.366 -0.039 30 20 DBED C#Cc1cncc(C(=O)NC2CN(C(=O)[C@H]3COC(=O)N3)C2)c1 999305012 TWDAPJZHMQTEQG-GFCCVEGCSA-N 314.301 -0.888 30 20 DBED CS(=O)(=O)CC(=O)N1CC(CNC(=O)c2cc(C#N)c[nH]2)C1 1001333342 DJYQBJIBLDGWJB-UHFFFAOYSA-N 324.362 -0.881 30 20 DBED C=CCOc1ccc(C(=O)NCC2CN(C(=O)C(N)=O)C2)cc1 1003066850 ZPCWTPSOOKAQFF-UHFFFAOYSA-N 317.345 -0.075 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](NC(=O)Cn2cnnn2)C(C)(C)C1 1007848287 DYZGLONSJLFWJT-ZJUUUORDSA-N 305.342 -0.814 30 20 DBED N#Cc1ccc(CN2CC[C@@H](NC(=O)[C@@H]3CNC(=O)N3)C2)cc1 1015634092 KYEJMYUHYDPVKJ-KGLIPLIRSA-N 313.361 -0.070 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCN(C(=O)[C@H]3CCCC(=O)N3)C2)C1 1019366919 LXHZKLIFFLVEOU-VXGBXAGGSA-N 318.377 -0.124 30 20 DBED O=C(N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O)c1cc[n+]([O-])cc1 1022980734 IYFZFOXPAIVZLU-ZIAGYGMSSA-N 315.329 -0.965 30 20 DBED CCc1n[nH]cc1C(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1024536118 UKYAJVHFMIWMJK-ZIAGYGMSSA-N 316.361 -0.313 30 20 DBED C#CCCN1C[C@H]2[C@H](NC(=O)[C@@]34C[C@H]5C[C@@H](C(=O)N3)[C@H]4C5)[C@H]2C1 1025838355 VPFHANDNCYRTAI-WJVIIHSSSA-N 313.401 -0.029 30 20 DBED C#CCN1C[C@@H]2C[C@H]1CN2C(=O)c1nc(O)nc(O)c1OC 1032729837 NFBLJMYTYBVITH-IUCAKERBSA-N 304.306 -0.572 30 20 DBED CN(C)C(=O)CN1CCO[C@@H](CNC(=O)c2ccc(C#N)[nH]2)C1 1035330753 BMYZFDTUVYZOHT-LBPRGKRZSA-N 319.365 -0.595 30 20 DBED C#CCN1CCO[C@H](CNC(=O)[C@H]2CC(=O)N(C(C)C)C2)C1 1035389726 GALFNYPOVOYXPS-UONOGXRCSA-N 307.394 -0.307 30 20 DBED N#CCN1CCO[C@@H](CNC(=O)c2ccc(C(N)=O)cc2)C1 1035602523 JIDVYUIDNAZXQB-ZDUSSCGKSA-N 302.334 -0.260 30 20 DBED CC(C)C#CC(=O)NC[C@@]1(O)CCN(C(=O)CCN(C)C)C1 1039665756 RWOJJPJRFAXFSM-INIZCTEOSA-N 309.410 -0.323 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)Cc2cccnc2)C1 1040248568 UGGSXXJGGSZCHE-MLGOLLRUSA-N 316.361 -0.137 30 20 DBED N#Cc1cccnc1NC[C@H]1CN(C(=O)C(N)=O)CCCO1 1041523616 GPKSZTBHNASWFY-NSHDSACASA-N 303.322 -0.532 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)[C@H]2C[C@H]2C(=O)OC)C1 1041981239 WVCJJUGBPUJOOH-WDEREUQCSA-N 324.377 -0.303 30 20 DBED C[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1NC(=O)[C@@H]1CCC(=O)N1 1042093290 HYNSQQKJLFOYGU-ADEWGFFLSA-N 314.349 -0.432 30 20 DBED Cc1ncoc1C(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1042364183 GFLRSLBLALGOMJ-UHFFFAOYSA-N 303.318 -0.300 30 20 DBED C=CCCCC(=O)N1CC(O)(CNC(=O)c2cnnn2C)C1 1042848291 PXXGPWBFEXENLC-UHFFFAOYSA-N 307.354 -0.526 30 20 DBED C=C[C@@H](C)[C@H](C)C(=O)NCC1(O)CN(C(=O)C2(C(N)=O)CC2)C1 1044980608 ONNUEXGGADAMCD-MNOVXSKESA-N 323.393 -0.600 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cc3n(n2)CCCO3)C1 1047453419 XKAQCMPZUGHPMJ-KBPBESRZSA-N 318.377 -0.194 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CCCS2(=O)=O)C1 1047472432 KHBJORMFUSIJEV-AVGNSLFASA-N 314.407 -0.910 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)c2nc3ncccn3n2)C1 1047572202 CTYLRSWWSOAPLR-QWRGUYRKSA-N 302.338 -0.573 30 20 DBED C[C@@H]1CCCN(C(=O)C(N)=O)[C@H]1CCN=c1cc[nH]c(C#N)n1 1047739351 MYGHGHITBNKLFY-MNOVXSKESA-N 316.365 -0.315 30 20 DBED CN(C(=O)C#CC1CC1)[C@H]1CN(C(=O)[C@@H]2CCOC2)C[C@@H]1O 1048821374 LZTGAOPMNPCMQW-RDBSUJKOSA-N 306.362 -0.534 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)Cc2ccn(C)n2)C[C@@H]1O 1049393415 AARBGTUZZRYHGL-DRZSPHRISA-N 319.365 -0.848 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)c1cn([C@@H]2CCOC2)nn1 1051201252 CGHIZURMJBUTHJ-OLZOCXBDSA-N 319.365 -0.697 30 20 DBED N#Cc1ccc(F)c(CNC[C@@H]2CN(C(=O)C(N)=O)CCO2)c1 1051794293 JRBMJJYGTXQPSU-GFCCVEGCSA-N 320.324 -0.500 30 20 DBED C#CCN1CCC[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)CC1 1052864085 ZPURYMWBCSPSIY-GFCCVEGCSA-N 306.366 -0.516 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)C[C@@H]1CCCC(=O)N1)CCO2 1053334590 YUYJMZNZDJGJLC-AWEZNQCLSA-N 319.405 -0.018 30 20 DBED C#CCN1CC2(C1)CN(C(=O)Cc1ccc(O)nc1)CCO2 1053343505 OWQWQUKIKNWFBH-UHFFFAOYSA-N 301.346 -0.124 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)[C@H](OC)[C@H]1CCOC1)CCO2 1053357573 WTTMWQOIZGYRRY-LSDHHAIUSA-N 322.405 -0.026 30 20 DBED C#CCCN1CC2(CC[C@H](CNC(=O)[C@H]3CCC(=O)N3C)O2)C1 1053649537 OOEISSJQIJKNNN-ZIAGYGMSSA-N 319.405 -0.020 30 20 DBED N#CCN1CC2(CC[C@@H](CNC(=O)c3c[nH]c(=O)cn3)O2)C1 1053653862 AVNMECOENWZSFB-JTQLQIEISA-N 303.322 -0.743 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)c3ccc(C(N)=O)cn3)CO2)C1 1054022879 QHFULHGFJCIRPM-NSHDSACASA-N 315.333 -0.723 30 20 DBED CC(C)C#CC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CCNC3=O)C[C@@H]2C1 1055329577 SBAYNQKNKMARAC-HZSPNIEDSA-N 317.389 -0.301 30 20 DBED N#Cc1ccc(C(=O)N2CCN(c3nccn4nnnc34)CC2)[nH]1 1055774331 OUPCUDMSVOGOML-UHFFFAOYSA-N 323.320 -0.319 30 20 DBED CC(=O)NCC(=O)N1CCC[C@](CO)(NC(=O)C#CC2CC2)C1 1055936376 HDZHSYKLGMFWLH-INIZCTEOSA-N 321.377 -0.994 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)CC[C@@H](C)OC 1057193326 DKNLOJUVQXWKOU-CYBMUJFWSA-N 316.398 -0.059 30 20 DBED O=C(C#CC1CC1)NCCN(CCO)C(=O)[C@@H]1C[C@H]2CC[C@H]1O2 1057229286 LOWKSURJZSTLHG-RBSFLKMASA-N 320.389 -0.096 30 20 DBED C=C[C@@](C)(O)CC(=O)N(CCO)CCNC(=O)C[C@@H](C)OC 1057450619 VMURFFAMBAVARQ-IUODEOHRSA-N 316.398 -0.324 30 20 DBED O=C(C#CC1CC1)NCCN(CCO)C(=O)CC1(O)CCC1 1057527706 PMCLBCBNNULWEB-UHFFFAOYSA-N 308.378 -0.358 30 20 DBED Cc1cc(=N[C@@H]2CCCN(C(=O)CC(N)=O)C2)c(C#N)c[nH]1 1057603165 FIPZHQSLYYSJCE-GFCCVEGCSA-N 301.350 -0.038 30 20 DBED N#Cc1nccnc1N1CCC(NC(=O)[C@H]2COC(=O)N2)CC1 1057864891 NMPCKGBMIBEOAZ-LLVKDONJSA-N 316.321 -0.458 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)COCCOCC 1057867294 AYMBQEXHMAJHGH-UHFFFAOYSA-N 316.398 -0.057 30 20 DBED C=CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)CCN(C)C 1057921583 KVPNBCKHLPQYJT-ZDUSSCGKSA-N 315.414 -0.534 30 20 DBED CN1CC[C@@H](C(=O)N[C@@H]2CCN(c3ccnc(C#N)n3)C2)C1=O 1058514887 QURMJFRVSMCLTF-MNOVXSKESA-N 314.349 -0.479 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)c1c[nH]c(=O)cn1 1058603103 HQWQDOWXCDWESV-UHFFFAOYSA-N 320.349 -0.876 30 20 DBED Cn1nnc(C(=O)N[C@H]2C[C@H](Nc3ncc(C#N)cc3F)C2)n1 1059377333 VEPVSCPHFPIDSW-KYZUINATSA-N 316.300 -0.011 30 20 DBED N#Cc1cnc(N2[C@H]3CC[C@H]2CC(NC(=O)C(N)=O)C3)cn1 1059510056 AYUNOQPUMUYIGK-QWRGUYRKSA-N 300.322 -0.550 30 20 DBED C=CCOCC(=O)N[C@H]1CC[C@H](CNC(=O)CC(N)=O)CC1 1060692088 FIFZXJIDRGNQIB-HAQNSBGRSA-N 311.382 -0.144 30 20 DBED C=CCOCC(=O)NC[C@@H]1COCCN1C(=O)c1ccnnc1 1061423772 NIAZVYXYNKUBLP-CYBMUJFWSA-N 320.349 -0.364 30 20 DBED C#CCCCC(=O)N1CCOC[C@@H]1CNC(=O)CC(=O)NC 1061527125 RCFZWBBTNFQLDC-LBPRGKRZSA-N 309.366 -0.730 30 20 DBED CC(C)C#CC(=O)N1CCOC[C@H]1CNC(=O)CCCC(N)=O 1061684067 LSZXIIFYEWMGRM-CYBMUJFWSA-N 323.393 -0.355 30 20 DBED Cn1cc(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(C#N)nn2)nn1 1062486304 OYUOECVQPGUXSG-QWRGUYRKSA-N 310.321 -0.420 30 20 DBED CN(C(=O)c1ncn(C)n1)[C@H]1CCN(c2ccnc(C#N)n2)C1 1062926837 NXLMBLXCEJVJLC-JTQLQIEISA-N 312.337 -0.172 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(NC(=O)c2nc[nH]n2)CCC1 1063044074 ZJJDNIYRLUETQM-SNVBAGLBSA-N 305.338 -0.388 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H]1CCCN1C(=O)Cn1cnnn1 1063442775 KGRTXMMHNBOPHB-GFCCVEGCSA-N 312.337 -0.535 30 20 DBED C[C@H]1CN(C(=O)CC(N)=O)CC[C@@H]1Nc1cncc(C#N)n1 1063716351 PAQXHLVOFXTKOH-ONGXEEELSA-N 302.338 -0.127 30 20 DBED N#Cc1cnc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)Cn2nccn2)cn1 1064300564 BLTPARQQBYYATQ-OLUVUFQESA-N 310.321 -0.667 30 20 DBED N#Cc1ccc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)c2cnnc(O)c2)nn1 1064309336 NGGBJDJTIVTUBE-PUYPPJJSSA-N 323.316 -0.149 30 20 DBED C=CCCC(=O)N1CCO[C@@H](CNC(=O)CC(=O)N(C)C)C1 1064961517 LHJJSJGMHDZRBM-LBPRGKRZSA-N 311.382 -0.226 30 20 DBED C#CCOCCC(=O)N1CCO[C@@H](CNC(=O)c2cnon2)C1 1065151680 BHUFYORUGSALSX-NSHDSACASA-N 322.321 -0.933 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)Cc2nc[nH]n2)CCO1 1065642071 NMZZTSROJSPZBI-GFCCVEGCSA-N 319.365 -0.506 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H](NC(=O)CCNC(N)=O)CC1 1066161746 NUZHOGDINDJYQN-MNOVXSKESA-N 309.370 -0.298 30 20 DBED C=CCOCC(=O)N(C)CCCN(C)C(=O)Cc1nc[nH]n1 1067001432 YMEYRXMSNHRNJF-UHFFFAOYSA-N 309.370 -0.143 30 20 DBED C[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@@H]1Nc1ccc(C#N)nn1 1067176105 CUBYLNMYYJPNJH-SCZZXKLOSA-N 313.325 -0.556 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](CNC(=O)c3cnon3)C2)cn1 1067677245 BBVRZTBQGZTPPS-NOZJJQNGSA-N 314.305 -0.437 30 20 DBED Cn1cnc(C(=O)NCC2[C@H]3CN(c4ccnc(C#N)n4)C[C@H]23)n1 1068170196 BXZPXIBMWBHAFB-GHMZBOCLSA-N 324.348 -0.411 30 20 DBED COCC(=O)N1CC2(CN(C(=O)CSCC#N)CCO2)C1 1068314640 QHMQBTVCHVRYCW-UHFFFAOYSA-N 313.379 -0.671 30 20 DBED COCC(=O)NCC1(NC(=O)c2cc(C#N)c[nH]2)CCOCC1 1070061102 SNSOVHXKUUFKGK-UHFFFAOYSA-N 320.349 -0.072 30 20 DBED Cn1cncc1[C@@H]1CN(C(=O)Cc2ncc[nH]2)C[C@H]1NCC#N 1070705418 VOAMRMBIOUCWDG-VXGBXAGGSA-N 313.365 -0.207 30 20 DBED N#CCN1C[C@H]2C[C@H]3CN(C(=O)c4cnnc(O)c4)C[C@@]3(C1)O2 1070813140 IVOYYRRQZVCUHZ-YWPYICTPSA-N 315.333 -0.379 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)c4nonc4C)C[C@@]3(C1)O2 1070896087 UDHYWEYGOLCMQV-YWPYICTPSA-N 302.334 -0.073 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)c2csc(O)n2)CC1 1070986911 JFXZSHAUWIVILO-UHFFFAOYSA-N 322.390 -0.254 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)[C@@H]2CCO[C@H]2C)CC1 1071010431 KUKLYYZDUCKPSN-UONOGXRCSA-N 307.394 -0.305 30 20 DBED C[C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1NC(=O)C#CC1CC1 1071555485 BUEHSIBNBJJTJS-ZYHUDNBSSA-N 302.338 -0.950 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)c3n[nH]c(C)c3O)C[C@H]21 1074219510 QMFTXVGOEBCBHH-VXGBXAGGSA-N 304.350 -0.028 30 20 DBED N#CCN1CCO[C@@H]2CCN(C(=O)CCN3CCCC3=O)C[C@H]21 1074403614 YPMQAMKGOBCYSZ-ZIAGYGMSSA-N 320.393 -0.176 30 20 DBED Cc1c[nH]c(C(=O)NCC2(O)CCN(C(=O)[C@@H](C)C#N)CC2)n1 1074706486 LJXVSDGLYSEDQU-JTQLQIEISA-N 319.365 -0.039 30 20 DBED C=CCOCC(=O)N[C@@H](C)CCNC(=O)CS(=O)(=O)CC 1076921340 XHMSXFBMAKUEIZ-NSHDSACASA-N 320.411 -0.365 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2cnn3cc(OC)ccc23)C1 1077849782 NTCMAUQRQRVHQJ-UKRRQHHQSA-N 314.345 -0.249 30 20 DBED CCC(=O)NCC(=O)N1CC(N(CC)C(=O)C#CC2CC2)C1 1079736900 ORNFEVRWMQNCRR-UHFFFAOYSA-N 305.378 -0.015 30 20 DBED C#CCOCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)CSC)C1 1081236948 IVULWVBTMZPJAZ-VXGBXAGGSA-N 314.407 -0.675 30 20 DBED C#CCCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2cc[nH]n2)C1 1081285910 FLNHHXQEJQXPCJ-DGCLKSJQSA-N 304.350 -0.238 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1cnc2nccnc2c1 1081805576 DXAWXWUOADKNTK-CHWSQXEVSA-N 312.333 -0.023 30 20 DBED C[C@@H](O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1ccc(C#N)[nH]1 1083054445 JVDHCAHEBPIHRB-DDTOSNHZSA-N 304.350 -0.208 30 20 DBED CC(C)N1C[C@@H](C(=O)N2CCO[C@@H]3CN(CC#N)C[C@@H]32)CC1=O 1083096762 WIVFAAAMQKCKJT-MELADBBJSA-N 320.393 -0.322 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)c2ccnc3nc(C)nn23)C1 1083949216 WUJHKDNEIMLASF-YPMHNXCESA-N 314.349 -0.769 30 20 DBED C[C@H](C(=O)N1CC[C@H]2CCN(CC#N)[C@H]2C1)N1C(=O)CCC1=O 1084953052 RBCNKFTYYZYLME-UPJWGTAASA-N 318.377 -0.030 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2C[C@@H](N[C@H](CC)C(N)=O)C2)nn1 1086219904 YERHRPQUDPGUHU-GRYCIOLGSA-N 320.397 -0.174 30 20 DBED C#CCN[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1c1cnn(C)c1 1086994489 FCDNWTIVGLYDKK-QWHCGFSZSA-N 315.377 -0.797 30 20 DBED C[C@@H]1[C@@H](NC(=O)CN2C(=O)CC(C)(C)C2=O)CCN1CC#N 1088568198 WSWHYLZGTZVXLM-MNOVXSKESA-N 306.366 -0.126 30 20 DBED COCCn1nccc1C(=O)N[C@@H]1CCN(CC#N)C[C@@H]1O 1090350505 WRJPTKWUBGFWEZ-YPMHNXCESA-N 307.354 -0.782 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2cc(=O)c(OC)co2)[C@H](O)C1 1090432530 LIBKQBKEAGUZJR-WCQYABFASA-N 320.345 -0.163 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cccc(C(=O)NC)n2)[C@H](O)C1 1090768035 PQSUQKAMZIYQOK-SMDDNHRTSA-N 316.361 -0.761 30 20 DBED CCO[C@@H](C)C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1091066540 WUIABYIEMABJQE-WCQGTBRESA-N 305.338 -0.561 30 20 DBED C[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1CCNC(=O)C(N)=O 1092575957 RRPIYXDKAJVFCC-NXEZZACHSA-N 302.338 -0.588 30 20 DBED C=CCN1CC(n2cc(CNC(=O)[C@H]3CN(C)CCO3)nn2)C1 1094282479 SBDZIFJYZTYYQC-CQSZACIVSA-N 320.397 -0.732 30 20 DBED Cc1cc(C(=O)N[C@H]2CC(=O)N(C3CN(CC#N)C3)C2)nn1C 1094713787 HUOHEHZRJZLPRT-NSHDSACASA-N 316.365 -0.733 30 20 DBED CC#CCN1CC(N2C[C@H](NC(=O)c3nc(C)c[nH]3)CC2=O)C1 1094794872 ACWYURMIMOSVFB-GFCCVEGCSA-N 315.377 -0.244 30 20 DBED Cc1cc(C(=O)N[C@@H]2CC(=O)N(C3CN(CC#N)C3)C2)ccn1 1094799825 RGZIYRSLUDSKLW-CYBMUJFWSA-N 313.361 -0.072 30 20 DBED C#CCN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN1CCNC(=O)C1)C2 1094978188 LIIZMLXNLVMGKW-IHRRRGAJSA-N 304.394 -0.980 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@@H](Nc2ccc3nnnn3n2)C1 1095067155 OVBDPRHVVAOMJM-GHMZBOCLSA-N 315.337 -0.430 30 20 DBED CN(CCCNC(=O)Cn1nccn1)c1ccnc(C#N)n1 1095653879 PLMPJMHDTWQXTQ-UHFFFAOYSA-N 300.326 -0.418 30 20 DBED N#Cc1cnc(N2CC[C@H](NC(=O)C3(C(N)=O)CC3)C2)cn1 1096477517 ZZDNDLVTWISNMI-VIFPVBQESA-N 300.322 -0.691 30 20 DBED CC[C@H](NC(C)=O)C(=O)N[C@@H]1CCN(c2cnc(C#N)cn2)C1 1096484983 DMEADZVXSRWOEB-YPMHNXCESA-N 316.365 -0.042 30 20 DBED C[C@H](CNC(=O)[C@H]1CCCS1(=O)=O)Nc1cncc(C#N)n1 1097883450 MDTQVLREMROZHN-MWLCHTKSSA-N 323.378 -0.158 30 20 DBED COC(=O)NCC(=O)N1CC[C@H](CN=c2cc[nH]c(C#N)n2)C1 1098502540 CCESWQSKUYJOCM-SNVBAGLBSA-N 318.337 -0.613 30 20 DBED C=CCNCc1cn([C@@H]2CCN(C(=O)[C@H](C)NC(N)=O)C2)nn1 1098661285 IPLIDKNIENYTAG-CMPLNLGQSA-N 321.385 -0.616 30 20 DBED CC(=O)N(C)CC(=O)NCC[C@H](C)N=c1cc[nH]c(C#N)n1 1098842776 CXQBORSMHAWFHO-JTQLQIEISA-N 304.354 -0.445 30 20 DBED CN(CCNC(=O)CCc1nc[nH]n1)c1ccc(C#N)nn1 1100018290 UMSDIJABDODFKV-UHFFFAOYSA-N 300.326 -0.348 30 20 DBED N#CCN1CC[C@H](NC(=O)C2(NC(N)=O)CCCCC2)[C@@H](O)C1 1100026939 KCCNOWGVALJMFY-RYUDHWBXSA-N 323.397 -0.567 30 20 DBED C#CCN1CC[C@@H](NC(=O)C2(C(=O)N(C)C(C)C)CC2)[C@H](O)C1 1100052971 HTYNWRQVMOFRDP-ZIAGYGMSSA-N 321.421 -0.182 30 20 DBED CC#CCN1CC[C@H](NC(=O)CCCC(=O)N(C)C)[C@H](O)C1 1100078102 DAHDAIYUHYQHFC-UONOGXRCSA-N 309.410 -0.180 30 20 DBED C#CCCN1CC[C@H](NC(=O)C2(C(=O)NC)CCC2)[C@H](O)C1 1100086319 ZOINKMPRZVHXNZ-QWHCGFSZSA-N 307.394 -0.523 30 20 DBED C[C@H](C(=O)NCCN(C)c1cnc(C#N)cn1)[C@@H]1CCC(=O)N1 1100333752 MJXNXGHNUDDIHS-JQWIXIFHSA-N 316.365 -0.185 30 20 DBED CN1C[C@@H](C(=O)NCCN(C)c2ccnc(C#N)n2)CC1=O 1100384026 WOILTIBOTGICTQ-JTQLQIEISA-N 302.338 -0.621 30 20 DBED CCN(CCNC(=O)[C@@H]1CCCNC1=O)c1ccc(C#N)nn1 1100640499 YWQVEAKCABOEGO-GFCCVEGCSA-N 316.365 -0.183 30 20 DBED CCCN(CCNC(=O)CC(N)=O)c1nc(C)cc(C#N)n1 1101111441 KHFWFQXDRSPNSE-UHFFFAOYSA-N 304.354 -0.135 30 20 DBED CC(=O)N[C@H](C)C(=O)NCCN(c1nccnc1C#N)C1CC1 1101273946 HSYMSXITKBCRIJ-SNVBAGLBSA-N 316.365 -0.042 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)CN1CCCC1=O 1101495529 OLUWMMANXUDCPN-UHFFFAOYSA-N 302.338 -0.737 30 20 DBED CN(CCNc1ccc(C#N)nn1)C(=O)[C@]1(C)CNC(=O)C1 1101877323 UIRAJBNAWNTANV-AWEZNQCLSA-N 302.338 -0.255 30 20 DBED CN(CCNc1nccnc1C#N)C(=O)[C@@]1(C)CNC(=O)C1 1101877369 VWQNESXKXYVIEQ-CQSZACIVSA-N 302.338 -0.255 30 20 DBED C=CCNCC[C@@H]1CN(C(=O)CNC(=O)CNC(C)=O)C[C@H]1C 1104361752 YHVRKRNFPHKJQH-TZMCWYRMSA-N 324.425 -0.501 30 20 DBED C[C@@H]1CN(C(=O)CCN(C)C)C[C@H]1CCNCC(=O)NCC#N 1104622432 WTHGGAIRLRINQW-ZIAGYGMSSA-N 323.441 -0.348 30 20 DBED C=CCCCNCc1cn(C2CN(C(=O)CNC(N)=O)C2)nn1 1105155686 QPNGHFWLFVGSDE-UHFFFAOYSA-N 321.385 -0.615 30 20 DBED C=CCNCc1cn(C2CN(C(=O)CCC(=O)NCC)C2)nn1 1105187973 JAPOVOJGYFTTIL-UHFFFAOYSA-N 320.397 -0.147 30 20 DBED CN(CCN(C)c1ccnc(C#N)n1)C(=O)CCCC(N)=O 1105419022 BBUHWOXVBKWXTM-UHFFFAOYSA-N 304.354 -0.102 30 20 DBED CN(CCN(C)c1ccc(C#N)nc1)C(=O)c1nnn(C)n1 1105535376 NMAVMWADROKJIR-UHFFFAOYSA-N 300.326 -0.315 30 20 DBED CN(CCN(C)c1ccncc1C#N)C(=O)[C@H]1C[C@H]1C(N)=O 1105558796 CIYAECXZSSGYKK-NEPJUHHUSA-N 301.350 -0.031 30 20 DBED Cc1nc(CC(=O)NC[C@H](O)CNc2ccc(C#N)cn2)n[nH]1 1105826452 FRCTZXSDSBNWRI-LLVKDONJSA-N 315.337 -0.489 30 20 DBED C=CCO[C@@H](C)C(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1 1105891577 GRTVQHALLMXCSS-WDEREUQCSA-N 305.338 -0.750 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)CO[C@H]2CCOC2)cn1 1105973561 ZKOYXABFLMZWQZ-KGLIPLIRSA-N 320.349 -0.352 30 20 DBED C[C@@H](CCNc1nccnc1C#N)NC(=O)[C@H]1COC(=O)N1 1106313767 QFQLSYPNOHAQJI-WCBMZHEXSA-N 304.310 -0.237 30 20 DBED C[C@H](CCNc1nccnc1C#N)NC(=O)Cn1ncnn1 1106454588 NZLZDSIHPOEJRF-SECBINFHSA-N 301.314 -0.658 30 20 DBED Cc1cc(C#N)nc(NCC[C@@H](C)NC(=O)[C@@H]2CNC(=O)N2)n1 1106542404 GJHNPIZGXZIELK-KCJUWKMLSA-N 317.353 -0.355 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)CN2CC(=O)N(C)C2=O)C[C@H]1C 1106872491 VDZNCXBNHALOHR-CHWSQXEVSA-N 320.393 -0.412 30 20 DBED N#Cc1nccnc1NC/C=C\CNC(=O)CN1CCOCC1 1107134033 PFWUJKGJQQKFNJ-UPHRSURJSA-N 316.365 -0.235 30 20 DBED CO[C@@H](C(=O)NCc1cn(C2CN(CC#N)C2)nn1)C(C)C 1107206430 LSKSEPYHDXJZQN-CYBMUJFWSA-N 306.370 -0.054 30 20 DBED N#Cc1nc(=NC/C=C/CNC(=O)[C@@H]2CCC(=O)NC2)cc[nH]1 1107593381 WMBOWQWQNFYAEF-FMBMQGQPSA-N 314.349 -0.619 30 20 DBED C#CCCN1CCO[C@](C)(CNC(=O)c2cnn(C)c2N)C1 1107888449 QRNOSVJWKWPCTH-OAHLLOKOSA-N 305.382 -0.154 30 20 DBED C[C@@]1(CNC(=O)c2ccn3nnnc3c2)CN(CC#N)CCO1 1108112802 AZRLJXZSPFDMRW-CQSZACIVSA-N 315.337 -0.531 30 20 DBED CC#CCN1CC(N2C[C@H](NC(=O)[C@@H](C)COC)CC2=O)C1 1108524015 XKJQGHHKKQHMHI-QWHCGFSZSA-N 307.394 -0.307 30 20 DBED CCN1CCOC[C@@H]1C(=O)N[C@@H](C)CNc1ccc(C#N)nn1 1108598308 NBRFXEVQQCRJDQ-WCQYABFASA-N 318.381 -0.014 30 20 DBED N#Cc1cncc(NC[C@@H](NC(=O)[C@@H]2COC(=O)N2)C2CC2)n1 1109832366 FJZUTEQAQFNWIL-MNOVXSKESA-N 316.321 -0.237 30 20 DBED CN1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1110386467 QAUNAEPKRDECOY-MQYQWHSLSA-N 319.409 -0.558 30 20 DBED COCC(=O)N[C@@]1(CO)CCCN(c2ccc(C#N)nn2)C1 1111336172 KGPWVENEORKJBN-AWEZNQCLSA-N 305.338 -0.558 30 20 DBED Cn1nnc(C(=O)N(CCO)CCNc2ccc(C#N)cn2)n1 1111549164 LWYDJRVBBJAQRP-UHFFFAOYSA-N 316.325 -0.977 30 20 DBED Cn1nnc(C(=O)NCC2(Nc3cnc(C#N)cn3)CCC2)n1 1111887076 FMJXPXKTVVUHQV-UHFFFAOYSA-N 313.325 -0.364 30 20 DBED CSCC(=O)NC[C@@H]1CN(c2nc(C)cc(C#N)n2)C[C@@H]1O 1112699891 KTOGBPAEYUDKMC-PWSUYJOCSA-N 321.406 -0.067 30 20 DBED C#CCOCCC(=O)NC[C@H]1CN(c2cnc(F)cn2)C[C@H]1O 1112738683 RHSVBUMOLDEADA-NWDGAFQWSA-N 322.340 -0.431 30 20 DBED C[C@H](N=c1cc[nH]c(C#N)n1)[C@@H](C)NC(=O)c1ccc(O)nn1 1112900652 SSAUFDVLMNPRAF-DTWKUNHWSA-N 313.321 -0.115 30 20 DBED COCC#CCN1CCN(C(=O)[C@H]2CCCN(C(N)=O)C2)CC1 1113080913 ZLNGBMBSWOKPAW-AWEZNQCLSA-N 322.409 -0.429 30 20 DBED CC(C)n1cc(C(=O)N2CCN(CC(=O)NCC#N)CC2)cn1 1113528616 IWBQAQHSVNGFIO-UHFFFAOYSA-N 318.381 -0.138 30 20 DBED C[C@H](CNC(=O)Cn1cncn1)N(C)c1ccnc(C#N)n1 1113609323 HSBSUKZXNNYUFV-SNVBAGLBSA-N 300.326 -0.419 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)c3ccccn3)[C@H]2C1 1113775136 PDZLOSYOAZZHDG-RMRHIDDWSA-N 312.373 -0.121 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)CC[C@H]3CCOC3)[C@@H]2C1 1114134700 OPWQRIOEOGJPJX-BFHYXJOUSA-N 319.405 -0.401 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)CC3(O)CCC3)[C@H]2C1 1114239598 JDTBEQSOGVARRI-JYAVWHMHSA-N 307.394 -0.360 30 20 DBED CC1(C)CN(c2ccc(C#N)nn2)C[C@@H]1NC(=O)CNC(N)=O 1114423968 QIWLSOGBQXTYAH-JTQLQIEISA-N 317.353 -0.652 30 20 DBED C#CCCN1C[C@H]2C(NC(=O)C(=O)NCC(F)(F)F)[C@@H]2C1 1115041328 IBMWOFKRXZROCW-RKDXNWHRSA-N 303.284 -0.265 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)[C@@H]3CCN(C)C3)[C@@H]2C1 1115242283 YQBDBFLQHMQEPI-JHJVBQTASA-N 306.410 -0.713 30 20 DBED C#CCNC(=O)CC(=O)N(C)C[C@H](C)Nc1cncc(C#N)n1 1115685303 ASBACGGEPUYHCI-NSHDSACASA-N 314.349 -0.253 30 20 DBED C[C@@H](C#N)OCCOC(=O)Cn1cc(S(N)(=O)=O)cn1 1116934972 JWULGRODOGYADT-QMMMGPOBSA-N 302.312 -0.998 30 20 DBED Cn1cc(C(=O)NC[C@H](CO)Nc2cnc(C#N)cn2)cn1 1121024366 KMIMUYXGADUKQY-LLVKDONJSA-N 301.310 -0.715 30 20 DBED Cc1cc(C(=O)NC[C@H](CO)Nc2ccc(C#N)nn2)n[nH]1 1121119962 MMWPJONEVVDWNT-SNVBAGLBSA-N 301.310 -0.417 30 20 DBED C#CCN1CCN(c2nnc(C[C@H]3CCNC(=O)C3)n2C)CC1 1121369775 GOYGWLHYHYUTCN-CYBMUJFWSA-N 316.409 -0.361 30 20 DBED C#CCCCC(=O)NC[C@@H](CO)Nc1ncc(C(=O)OC)cn1 1121372756 ZPDGDSWVXUAFGI-LBPRGKRZSA-N 320.349 -0.044 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H](CO)CNC(=O)Cc1cccnc1 1121446498 MCDLPCGOAXZJTN-CQSZACIVSA-N 311.345 -0.098 30 20 DBED CCc1nc(C#N)cc(N[C@H](CO)CNC(=O)c2cnon2)n1 1121882070 NXDLKOUNODRWKA-VIFPVBQESA-N 317.309 -0.504 30 20 DBED Cc1ncc(CC(=O)NC[C@@H](CO)Nc2nccnc2C#N)o1 1122190342 OMQCXKWRVIBHOF-JTQLQIEISA-N 316.321 -0.224 30 20 DBED N#Cc1nccnc1NC[C@H]1CC[C@H](NC(=O)CC(N)=O)C1 1123751156 GHRKXTYFOZRCBM-UWVGGRQHSA-N 302.338 -0.080 30 20 DBED CN(C[C@H](O)CNc1cnc(C#N)cn1)C(=O)CC(C)(C)O 1124289775 JJNDPPSEOFNXSA-LLVKDONJSA-N 307.354 -0.260 30 20 DBED CN1CC[C@@H](C(=O)N(C)C[C@@H](O)CNc2cnc(C#N)cn2)C1 1124351891 JBYZLUAGCISCJY-YPMHNXCESA-N 318.381 -0.469 30 20 DBED Cc1nonc1C(=O)N(C)C[C@H](O)CNc1nccnc1C#N 1124398631 CDYGZTNTRNTSOP-SECBINFHSA-N 317.309 -0.415 30 20 DBED COCCN(CCNC(=O)[C@H](O)C(C)C)c1cncc(C#N)n1 1126315176 FFEJLMXOKFXMNB-CQSZACIVSA-N 321.381 -0.066 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CN(Cc2cnon2)C[C@@H]1n1ccnn1 1128830148 MTDXEADHGBOISJ-WCQGTBRESA-N 316.325 -0.638 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)c1c(C)nnn1CC 1129274663 KQXTVJLMUWIUED-NSHDSACASA-N 308.386 -0.383 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)Cc1cn(C)nc1C 1129600566 MUPYCOLFFHZBJV-LBPRGKRZSA-N 307.398 -0.332 30 20 DBED COCC1(C(=O)N2C[C@H](n3ccnn3)[C@H](NCC#N)C2)CC1 1129934063 MYMCUTVTWRKOBM-NEPJUHHUSA-N 304.354 -0.430 30 20 DBED COCC#CCNCCNC(=O)c1ccc(OCC(N)=O)cc1 1131039180 CHUUGDYXVLFMFQ-UHFFFAOYSA-N 319.361 -0.480 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)[C@H](CC)NC(C)=O)CC1 1131386119 VROMWYWNVNGMEV-AWEZNQCLSA-N 322.409 -0.815 30 20 DBED C=CCNC[C@H]1CN(C(=O)Cn2ncn(C)c2=O)CC[C@@H]1C 1132928658 SYLLGFFUNUEBMZ-STQMWFEESA-N 307.398 -0.158 30 20 DBED C[C@@H]1CCN(C(=O)CN2C(=O)CCC2=O)C[C@@H]1CNCC#N 1133301008 CJHKEHUYHXFBMN-NEPJUHHUSA-N 306.366 -0.267 30 20 DBED C#CCNC[C@H]1CN(C(=O)c2cn(C)c(=O)nc2O)CC[C@H]1C 1133315596 VNQOVHFECRUZLI-NEPJUHHUSA-N 318.377 -0.193 30 20 DBED C=CCNC(=O)NC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)COC 1133460851 GELQNEZZEXWJOJ-WDEREUQCSA-N 314.386 -0.483 30 20 DBED CCn1nncc1C(=O)N[C@@H](C)C[C@@H](C)NCC(=O)NCC#N 1134322081 OPGHKSBNKOUKLE-MNOVXSKESA-N 321.385 -0.576 30 20 DBED Cc1ccn(CC(=O)N[C@H](C)C[C@H](C)NCC(=O)NCC#N)n1 1135507062 RNPQOFFLOLHKLA-QWHCGFSZSA-N 320.397 -0.296 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)c1conc1COC 1147556751 HJKPAYWEIYIJRZ-JTQLQIEISA-N 310.354 -0.169 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)CCCN(C)C)C2 1148174372 LBSMNTBTHFYXSY-UHFFFAOYSA-N 320.437 -0.388 30 20 DBED C=CCN1CCC2(C1)CN(C(=O)CN(C)S(=O)(=O)CC)C2 1148537769 UDIIIWMBFHOGAK-UHFFFAOYSA-N 315.439 -0.012 30 20 DBED C#CCNC(=O)CN1CCCO[C@H](CNC(=O)C(C)(F)F)C1 1149002342 IIVQFSQTPSDBBO-LLVKDONJSA-N 317.336 -0.402 30 20 DBED C#CCCN1CCCO[C@H](CNC(=O)CS(C)(=O)=O)C1 1149375818 TYYARRVQIGGQBK-GFCCVEGCSA-N 302.396 -0.739 30 20 DBED C#CCCN1CCCO[C@H](CNC(=O)CC(=O)NCC#C)C1 1149598507 AXFCWDDGKHULAZ-CQSZACIVSA-N 305.378 -0.644 30 20 DBED CNC(=O)[C@H](C)N1CCCO[C@@H](CNC(=O)C#CC(C)C)C1 1149715389 SJYRIHOECCHXLS-KBPBESRZSA-N 309.410 -0.013 30 20 DBED C[C@@H]1C[C@H]1C(=O)NC[C@H]1CN(CC(=O)NCC#N)CCCO1 1150091429 MLIVBRFBXWSKHN-FRRDWIJNSA-N 308.382 -0.511 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)Cc1cncnc1 1153057403 VGFZLSADSNWNLV-GFCCVEGCSA-N 318.381 -0.515 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)[C@@H](C)n1cncn1 1156805653 IPXZGWVBECICMW-NWDGAFQWSA-N 308.386 -0.374 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)c1cc(=O)n(C)o1 1157134636 OBMCMERKDPPECT-SNVBAGLBSA-N 310.354 -0.622 30 20 DBED CN(CC#N)C[C@H]1CCCCN1C(=O)Cn1cnc(C(N)=O)n1 1157973915 YAAOLCAQLUGCRG-LLVKDONJSA-N 319.369 -0.787 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@@H]1CCn2cncc2C1 1161209631 SLOBVLCNDLCFSE-CYBMUJFWSA-N 319.409 -0.156 30 20 DBED C#CCCN1CCC(CNC(=O)CCNC(N)=O)(COC)CC1 1162599049 LBGBVIDGYBHTOO-UHFFFAOYSA-N 324.425 -0.087 30 20 DBED N#CCNC(=O)CNCCCNC(=O)c1cc(C(F)F)[nH]n1 1166402652 RUHGGRKEKLQXRX-UHFFFAOYSA-N 314.296 -0.303 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)NCCCNCC(=O)N(C)C 1167677626 DLYGBCRZZOAIOO-CYBMUJFWSA-N 312.414 -0.359 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)[C@@H](C)Cc1cnc[nH]1 1167991036 FVGFNYWOYBWTTC-QWHCGFSZSA-N 319.409 -0.178 30 20 DBED C=CCN1CC[C@@H](NCCCC[C@H](C)NC(=O)C(N)=O)C1=O 1175024053 XAYHMUOZCBONJY-NWDGAFQWSA-N 310.398 -0.477 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)c1ccc(=O)n(C)n1 1175400793 IJDNQWWPNDFALI-LLVKDONJSA-N 321.381 -0.820 30 20 DBED C=C(Cl)CN1CCO[C@H]2CCN(C(=O)CNC(N)=O)C[C@H]21 1176912318 IIIFOKPYUYJVAM-MNOVXSKESA-N 316.789 -0.291 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)NCCCNCCOC 1176966869 OVOYYHPNBQUYJE-UHFFFAOYSA-N 300.403 -0.008 30 20 DBED C=CCN[C@H]1CCN(C(=O)CNS(=O)(=O)N(C)C)[C@H]1C 1179626636 MDNQXGSTABTCHU-QWRGUYRKSA-N 304.416 -0.853 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)C2(F)CCOCC2)C1 1183103912 QXNNUTXWDWWSLZ-GFCCVEGCSA-N 313.373 -0.002 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)c2ncc(OC)cn2)C1 1184118022 XHKIVUWNYGIFFC-GFCCVEGCSA-N 304.350 -0.061 30 20 DBED C[C@H]1CN(C(=O)C#CC2CC2)CC[C@@H]1CNCC(=O)NC(N)=O 1184369520 GANWFKQWZXHTAZ-WCQYABFASA-N 320.393 -0.331 30 20 DBED C[C@H]1CN(C(=O)c2nnc(O)nc2O)CC[C@H]1CNCC#N 1184734005 FWNJDULRDVIXMZ-IUCAKERBSA-N 306.326 -0.506 30 20 DBED C#CCNC[C@@H]1CN(C(=O)c2cnn(C)n2)CC12CCOCC2 1186521765 MCOTXBCVUKSZCM-CYBMUJFWSA-N 317.393 -0.093 30 20 DBED CCCCS(=O)(=O)NCC(=O)N1CC[C@@H](NCC#N)C1 1187451830 YSXUQUAYNYEWOV-LLVKDONJSA-N 302.400 -0.580 30 20 DBED COCC#CCN1C[C@@H]2CCN(C(=O)[C@H]3CCNC(=O)C3)[C@@H]2C1 1187501443 ARPGBAFBGUZUHW-SOUVJXGZSA-N 319.405 -0.305 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)CCCN(C)C)[C@@H]2C1 1188979551 QFCVTEUYTVPUSN-LSDHHAIUSA-N 320.437 -0.390 30 20 DBED C=C(C)CN(CC)C(=O)CN(C)[C@@H]1CCN(C(=O)CC(N)=O)C1 1189490838 YUAGRPOXKJHYHF-CYBMUJFWSA-N 324.425 -0.181 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](N(C)CCn2cccn2)C1 1189759606 AKOSFXYFGNJPCA-AWEZNQCLSA-N 317.393 -0.445 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC[C@H](N(C)CCN2CCNC2=O)C1 1189917643 IYIDVMXNLNDDQA-BBRMVZONSA-N 324.425 -0.129 30 20 DBED C=CCNC(=O)[C@H](C)NC[C@@H]1CN(C(=O)COC)CCCO1 1199601959 XVJHKLYSBBVOHY-QWHCGFSZSA-N 313.398 -0.469 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)[C@@H]2CCCNC2=O)CCCO1 1200737677 RTJANMCIDRGDER-ZIAGYGMSSA-N 307.394 -0.257 30 20 DBED N#CCNC1CCN(C(=O)CNC(=O)c2cccnc2)CC1 1202605109 SDUMPDRHEJXDND-UHFFFAOYSA-N 301.350 -0.084 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)Cc2ccon2)CC1 1204852175 NECABOOSZCCIBB-UHFFFAOYSA-N 318.377 -0.205 30 20 DBED C=CCNC(=O)CNCC1CCN(C(=O)Cc2nc[nH]n2)CC1 1206856875 DTHHGWLGDGVOFA-UHFFFAOYSA-N 320.397 -0.522 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[nH]2)C[C@H]1C 1206912566 RVGVIGUBCYBYEE-VXGBXAGGSA-N 305.382 -0.152 30 20 DBED CCOCCNC(=O)CN[C@H]1CCCN(C(=O)[C@@H](C)C#N)C1 1207689190 WQCDOWZUBRNHKO-STQMWFEESA-N 310.398 -0.121 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2CCC(=O)N2C)C1 1209050316 CENCBAKSQIOXTK-OLZOCXBDSA-N 322.409 -0.510 30 20 DBED COCC#CCN1C[C@@H](NC(=O)C[C@H]2CC(=O)NC2=O)[C@H](C)C1 1211497186 AOBKAYQGUUVILI-FRRDWIJNSA-N 321.377 -0.875 30 20 DBED COCC#CCN1C[C@@H](NC(=O)c2cn(C)c(O)n2)[C@H](OC)C1 1213372514 KTVBBQUSMKLHLC-DGCLKSJQSA-N 322.365 -0.796 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](NCCOC(C)C)[C@H](C)C1 1214475603 IQYYEDYOYNVYFY-ZIAGYGMSSA-N 309.410 -0.013 30 20 DBED CO[C@H](C(=O)N1C[C@@H](NCC(=O)NCC#N)[C@H](C)C1)C1CC1 1214539787 HCFSISWPYFPCGK-QKCSRTOESA-N 308.382 -0.512 30 20 DBED C#CCOCCC(=O)N1C[C@@H](NCC(=O)NC2CC2)[C@H](C)C1 1214608843 MXTLXZJGFPLBDY-TZMCWYRMSA-N 307.394 -0.259 30 20 DBED C[C@@H]1CN(C(=O)c2csnn2)C[C@H]1NCC(=O)NCC#N 1215254714 FLRFSLDRGXXBGI-RKDXNWHRSA-N 308.367 -0.772 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1C 1215907475 AEGPORXLGVGRPV-NQBHXWOUSA-N 318.381 -0.997 30 20 DBED C=CCC[C@@H](C)N1C[C@H](O)[C@H](NC(=O)c2nnc(O)nc2O)C1 1219947257 AFKPVWBKDUDSJB-BBBLOLIVSA-N 323.353 -0.588 30 20 DBED C#CCN1CC[C@@H]2CCN(C(=O)[C@@H](C)NC(=O)COC)C[C@@H]21 1222745243 BOVOWURCVXQLKF-MCIONIFRSA-N 307.394 -0.307 30 20 DBED C=CCNC(=O)CN1CC[C@@H]2CCN(C(=O)c3cnn[nH]3)C[C@@H]21 1223054136 RDTDLUOLIWPXCY-YPMHNXCESA-N 318.381 -0.357 30 20 DBED CC(C)C#CC(=O)NC1CCN([C@@H](C)C(=O)NC(N)=O)CC1 1227265080 DDCOGBGSWVUSIU-NSHDSACASA-N 308.382 -0.190 30 20 DBED C=CCNC(=O)CN1CC[C@H]1CN(C)C(=O)CCC(=O)NCC 1231208830 NCRXJMPIWCQQPA-ZDUSSCGKSA-N 324.425 -0.262 30 20 DBED C#CCNC(=O)CC(=O)N(C)C[C@@H]1CCN1Cc1nncs1 1233810055 OKRKCEGRNFIZAF-NSHDSACASA-N 321.406 -0.290 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCN(C)[C@@H]1C 1234402225 JKIVCPASHLBGJG-RBSFLKMASA-N 320.437 -0.391 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)CCCNC(=O)Cc1cnn(C)c1 1235491016 IYMXOIHXEGNTOW-CYBMUJFWSA-N 319.409 -0.461 30 20 DBED N#CCN1CCC(NC(=O)NCCN2C(=O)CCC2=O)CC1 1251843906 UONHVXPBADZEJB-UHFFFAOYSA-N 307.354 -0.577 30 20 DBED N#Cc1ncn(CCNC(=O)NCCN2C(=O)CSC2=O)n1 1258303075 NEUZRIOTEGCHIG-UHFFFAOYSA-N 323.338 -0.856 30 20 DBED C[C@H]1CCCN(CCNC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)C1 1261463764 AUPVFYWLMAOEDU-BBRMVZONSA-N 322.409 -0.288 30 20 DBED C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)NC(CO)CO 1319936371 FZYLSGNLHOLFHO-VIFPVBQESA-N 307.306 -0.615 30 20 DBED C=CC[C@@H](CC)NC(=O)C(=O)Nc1ncn(CC(=O)N(C)C)n1 1321206011 CIDLBFDKYVUDMG-SNVBAGLBSA-N 322.369 -0.224 30 20 DBED C=C(C)COCCNC(=O)C(=O)N(C)CCS(=O)(=O)CC 1323891089 LSKVVOICIVXDIO-UHFFFAOYSA-N 320.411 -0.412 30 20 DBED C[C@@H]1C[C@@H](CO)CN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)C1 1326229537 LHQCAMBQXWMOAB-JMSVASOKSA-N 309.366 -0.660 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2CCC[C@]23NC(=O)NC3=O)nn1 1326344602 WBJRIRTXJPPPRL-OTYXRUKQSA-N 318.337 -0.428 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1C[C@@H](C)[C@](C)(C(=O)OC)C1 1330269736 MXEKNTFDVDBRBZ-UEKVPHQBSA-N 312.366 -0.039 30 20 DBED C=CCCOCCNC(=O)C(=O)N1CC[C@H](C2OCCO2)C1 1333496976 FGDHQINTAJABQT-LBPRGKRZSA-N 312.366 -0.083 30 20 DBED C#CCOCCn1nnnc1N1CCC[C@@H](N2CCCC2=O)C1 1337485038 DNCZORPBMWZDOI-CYBMUJFWSA-N 318.381 -0.086 30 20 DBED C=CCn1c(C(N)=O)nnc1N1CCN(C2CCOCC2)CC1 1340376098 SOADXUGIIQOCGF-UHFFFAOYSA-N 320.397 -0.136 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N1CCC(CO)(OC)CC1 1349766871 MGZNWFZDXSNBEI-UHFFFAOYSA-N 320.411 -0.230 30 20 DBED COC(=O)[C@@H](NC(=O)CCn1cc(C#N)c(O)nc1=O)C(C)C 1361769385 XPKYMMZIUDCYIB-NSHDSACASA-N 322.321 -0.476 30 20 DBED C[C@@H](O)CC(C)(C)CNC(=O)Cn1cc(C#N)c(O)nc1=O 1362173198 FIKVPNBDXZLKJX-SECBINFHSA-N 308.338 -0.266 30 20 DBED CC(C)(C)C(=O)NCC(=O)NCCn1cc(C#N)c(O)nc1=O 1363004005 QUYDLEQTFRDIBG-UHFFFAOYSA-N 321.337 -0.901 30 20 DBED N#Cc1c(NC(=O)c2cnn(C[C@@H](O)CO)c2)n[nH]c1C1CC1 1363128740 JCSGLVWRPVYJES-SNVBAGLBSA-N 316.321 -0.039 30 20 DBED CC(C)(CNC(N)=O)NC(=O)CNC(=O)c1ccc(C#N)cc1 1363838315 MYLVGHCJADVITB-UHFFFAOYSA-N 317.349 -0.149 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CN(C)C(=O)Cc1ccn(C)n1 1384220022 SVZJAWFGMFIKJB-PWSUYJOCSA-N 307.354 -0.942 30 20 DBED Cc1nnc(N(C)C[C@@H](C)C#N)n1CCNS(C)(=O)=O 1390908847 PMPIKIXDQGPVSM-VIFPVBQESA-N 300.388 -0.268 30 20 DBED CCN(CCC#N)C(=O)CN1CC(NC(=O)Cc2cnc[nH]2)C1 1404799800 PYHCDGFDCVMSGV-UHFFFAOYSA-N 318.381 -0.485 30 20 DBED Cc1ccnn1CC(=O)N(C)C[C@@H](O)CNC(=O)[C@@H](C)C#N 1405603088 QJZLVJVXOHLGNV-JQWIXIFHSA-N 307.354 -0.713 30 20 DBED C[C@@H](CNC(=O)COCc1ccnn1C)NC(=O)[C@H](C)C#N 1410454149 MDIFUROSKXCURZ-MNOVXSKESA-N 307.354 -0.283 30 20 DBED C[C@H]1C[C@@H](NC(=O)Cn2cc(C#N)c(O)nc2=O)CN1C1CC1 1411898842 PGZZFGVZBQEBNQ-GXSJLCMTSA-N 317.349 -0.438 30 20 DBED N#Cc1ccc(NCC(=O)N[C@H]2CCCN(CC(N)=O)C2)nc1 1417637701 IEJBKTKPSNBLOA-LBPRGKRZSA-N 316.365 -0.569 30 20 DBED CCC[C@@H](NC(=O)Cn1cc(C#N)c(O)nc1=O)C(=O)OC 1420266141 ZRMNKZLHVFEGER-SECBINFHSA-N 308.294 -0.722 30 20 DBED Cc1nn(C)cc1CNC[C@H](O)CNC(=O)c1cc(C#N)c[nH]1 1438976112 BVJDMBRUOFCXHZ-ZDUSSCGKSA-N 316.365 -0.191 30 20 DBED CO[C@@H](C)C(=O)NCc1nc(O)cc(CNC(=O)[C@@H](C)C#N)n1 1446056395 QLPKTLBDLBRTGR-IUCAKERBSA-N 321.337 -0.391 30 20 DBED C[C@@H](CO[C@@H]1CCOC1)NC(=O)Cn1cc(C#N)c(O)nc1=O 1466009033 IITZPUMPTHAYAA-GXSJLCMTSA-N 322.321 -0.869 30 20 DBED C[C@@H](C#N)C(=O)NCCN1CCN(C(=O)C[C@@H]2CCCO2)CC1 1493184548 NDXPDCOBXADJDP-KBPBESRZSA-N 322.409 -0.024 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H]1CNC(=O)CN1CCOCC1=O 1497101254 DFWHTTPJHNKANY-RYUDHWBXSA-N 322.365 -0.888 30 20 DBED C[C@@H](CN(C)C(=O)CCn1cnccc1=O)NC(=O)[C@@H](C)C#N 1510759090 YLMCXGNQLGAZBI-RYUDHWBXSA-N 319.365 -0.244 30 20 DBED C=C(C)Cn1c(CCO)nnc1N1CCO[C@H](C(=O)OC)C1 1515242816 PRVDGJHBAWPXFY-NSHDSACASA-N 310.354 -0.233 30 20 DBED C[C@@H](C#N)C(=O)NCC1CN(C(=O)C[C@@H]2CCCC(=O)N2)C1 1530881292 WVNLNKGXLAQLHU-JQWIXIFHSA-N 306.366 -0.221 30 20 DBED CCn1cc(C(=O)NC[C@@H](O)CNC(=O)[C@H](C)C#N)c(C)n1 1533264116 IBEDLFICWYKLAS-KOLCDFICSA-N 307.354 -0.422 30 20 DBED C=C(CCC(=O)O)C(=O)N[C@@H]1CN(C(=O)OCC)C[C@H]1CO 1573333152 WGTNPRVYEUPTBW-WDEREUQCSA-N 314.338 -0.027 30 20 DBED C=CCCC[C@H](NC(=O)Cn1[nH]cc2c(=O)ncnc1-2)C(=O)O 1573357189 KDROUZBSFVITAI-JTQLQIEISA-N 319.321 -0.003 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)CNC(=O)O)C[C@@H]1C 1573368038 GYZYAPPANOXLPY-QWRGUYRKSA-N 312.370 -0.617 30 20 DBED CC(C)C(=O)NCCN(C)c1cnc(C#N)c(-c2nn[nH]n2)n1 1573965570 XRPIJYUAOVTRTM-UHFFFAOYSA-N 315.341 -0.263 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C1(S(C)(=O)=O)CCNCC1 1574504066 BSZRHVLPXGFOMG-LBPRGKRZSA-N 316.423 -0.302 30 20 DBED CN(C)c1nccc(CNc2cnc(C#N)c(-c3nn[nH]n3)n2)n1 1579002079 ZPYDVKOBLHHZKJ-UHFFFAOYSA-N 323.324 -0.004 30 20 DBED COCCN(CCOC)C1CN(C(=O)C#CC2CCNCC2)C1 1579032762 JDWUQBHQZJKVHB-UHFFFAOYSA-N 323.437 -0.205 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N2C[C@H]3C[C@@H](N)C[C@H]2C3)CCO1 1580041511 BMHILYQYULDSPP-IRCOFANPSA-N 300.384 -0.733 30 20 DBED N#C[C@@H]1CNCCN1S(=O)(=O)c1ccc2c(c1)OCC(=O)N2 1580044930 MJMDXHKHLNJXKM-SECBINFHSA-N 322.346 -0.496 30 20 DBED N#Cc1ncc(N2CCC(CC(N)=O)CC2)nc1-c1nn[nH]n1 1581882310 SZYDSEXFXXNSEW-UHFFFAOYSA-N 313.325 -0.380 30 20 DBED C#CCOCCN(C)S(=O)(=O)c1ccc(-c2nn[nH]n2)nc1 1588362628 MGBBGKKFKVMWFD-UHFFFAOYSA-N 322.350 -0.468 30 20 DBED C=CCNC(=O)CN1CCN(Cc2c(C(=O)O)cnn2C)CC1 1588465409 IRXORAOIMBIFSD-UHFFFAOYSA-N 321.381 -0.462 30 20 DBED C=C(Cl)C[C@H](N)C(=O)N1C[C@@H](C(=O)OC)[C@@H](C(=O)O)C1 1588637018 CKOPJPOPTSOESZ-YIZRAAEISA-N 304.730 -0.212 30 20 DBED C[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N[C@H](C#N)CO 1590028667 QVABAFYFRGLMLL-RKDXNWHRSA-N 302.294 -0.365 30 20 DBED N#CCC(=O)N1CCN(Cc2ccc(-c3nn[nH]n3)cn2)CC1 1592671643 LZZBIFRYHODXMI-UHFFFAOYSA-N 312.337 -0.180 30 20 DBED N#Cc1cn(CC(=O)O)c(=O)n(Cc2ccc(F)cn2)c1=O 1594633683 WZXNJQQHNSXDTD-UHFFFAOYSA-N 304.237 -0.451 30 20 DBED C#CCN(CC(=O)O)C(=O)C(=O)Nc1cc(C)c(=O)n(C)c1 1602679376 OSVVMEBTZOEDKV-UHFFFAOYSA-N 305.290 -0.821 30 20 DBED C#CCCCC(=O)N(C)C[C@H](O)CN=c1cc[nH]c(C(=O)O)n1 1602701447 JVAFPBSGSCFLDU-LLVKDONJSA-N 320.349 -0.369 30 20 DBED COC(=O)CCN(CC#N)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 1604938594 YUZQUIYFIVXXLV-UHFFFAOYSA-N 303.282 -0.276 30 20 DBED N#CC1(CC(=O)O[C@@H]2CCN(CC(=O)O)C2=O)CCOCC1 1605575770 DWQJYJUUPSTMPK-SNVBAGLBSA-N 310.306 -0.074 30 20 DBED NC(=O)NCCC(=O)NC[C@H]1CC[C@@H](NC(=O)C#CC2CC2)C1 1684399146 IYCNMHQBLDZSDC-QWHCGFSZSA-N 320.393 -0.141 30 20 DBED C=CCNC(=O)CN[C@@H](CNC(=O)c1n[nH]c(C)c1O)C1CC1 1752455411 YBBACLGAQWOYDI-NSHDSACASA-N 321.381 -0.176 30 20 DBED C#CCCN1CCC[C@H](CNC(=O)CCCS(N)(=O)=O)C1 1752785562 BTNSZHVMJHROSP-CYBMUJFWSA-N 315.439 -0.093 30 20 DBED C#CCNC(=O)CN1CC(CNC(=O)CCc2cncs2)C1 1753410053 QYJLEFYRHGPUQP-UHFFFAOYSA-N 320.418 -0.127 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@H]1CCCN1C(=O)c1cnsn1 1753600360 VZVLNSXTBKUGEW-GHMZBOCLSA-N 321.406 -0.130 30 20 DBED CCCNC(=O)CN1CC(O)(CNC(=O)C#CC(C)(C)C)C1 1754767747 QXFCQRKLPBMNLT-UHFFFAOYSA-N 309.410 -0.275 30 20 DBED C=CCNC(=O)CNC[C@H]1CN(C(=O)c2ccc[nH]2)CCO1 1754996022 WDWKFLGRKSAPDB-LBPRGKRZSA-N 306.366 -0.253 30 20 DBED COCC#CCNCC1(NC(=O)[C@@H]2CCOC2)CCOCC1 1755093521 RKSBQOXUWDUBJL-CQSZACIVSA-N 310.394 -0.072 30 20 DBED Cc1c[nH]c(C(=O)N[C@H]2C[C@H](CNCC(=O)NCC#N)C2)n1 1755481192 XKVKEYQLVPXMCX-XYPYZODXSA-N 304.354 -0.544 30 20 DBED C=CCCCN[C@@H](CO)CNC(=O)[C@H]1CCc2nnnn2CC1 1755639533 RVRCNPAXUFIRQE-QWHCGFSZSA-N 322.413 -0.342 30 20 DBED C#CCCN1CCC[C@@H](NC(=O)CNS(=O)(=O)NC)[C@H]1C 1755716098 JIFWDXBAKYOOLK-VXGBXAGGSA-N 316.427 -0.967 30 20 DBED C=CCOCC(=O)N[C@H]1C[C@@H](CNC(=O)c2nnn(C)c2C)C1 1757314468 CWSOCVHBZFGUKG-TXEJJXNPSA-N 321.381 -0.049 30 20 DBED C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3c[nH]nc3C)C2)C1 1780283985 ZWZOEJKAQWVIEV-OAHLLOKOSA-N 302.334 -0.205 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](CC)NC(C)=O)CCO2 1783046780 VLFISXRKIAFACR-CJNGLKHVSA-N 321.377 -0.636 30 20 DBED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc[nH]n3)C[C@@H]21 1790790676 ZWOYMVLYJXCASU-DCAQKATOSA-N 303.322 -0.969 30 20 DBED N#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc[nH]1 1794711958 DXDJMWCWTQTVEW-GNXNZQSNSA-N 317.349 -0.083 30 20 DBED CC[C@H](C)[C@@H](N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC#N 1795083493 NJWONKNEVWNFRL-OBORUHMCSA-N 322.409 -0.137 30 20 DBED CNCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC#N)C2 1795592912 LFTORYHHDKUHHI-YWVIFJGQSA-N 322.409 -0.121 30 20 DBED CCN(C)[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC#N)C2 1800159499 KBBCUPQFJPMVBV-GUIRCDHDSA-N 322.409 -0.170 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)[C@@H](C)CC)C2 1800450361 BLVUOKXHIKBKKJ-ZZVJUGKHSA-N 308.378 -0.384 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C)n(C)n1)C2 1800450992 NFGKDDRRJWZLOY-JJLQDPRZSA-N 316.361 -0.435 30 20 DBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)COCC)C2)C1 1839806837 LJVBHSOTUZCAET-HNNXBMFYSA-N 310.350 -0.888 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1C=CCN1 1847801716 SQKACICQKBONOP-QPSCCSFWSA-N 317.389 -0.246 30 20 DBED C=CCC[C@@H](O)CN1CCN(C(=O)CN2CCOCC2)CC1 121666393 LGWXULLSIATUSI-OAHLLOKOSA-N 311.426 -0.210 30 20 DBED C=CCNC(=O)CNC(=O)N1CCN(CC(C)(C)O)C[C@@H]1C 189070427 HQMPVQCRXORRKZ-LBPRGKRZSA-N 312.414 -0.225 30 20 DBED N#Cc1ccsc1N1CC[C@H](N2CCO[C@@H](C(N)=O)C2)C1=O 246512364 QTIPOAAAAYPXML-WDEREUQCSA-N 320.374 -0.089 30 20 DBED CCC(=O)N1CC[C@@H](N/C(=N/C2CC2)NCC(=O)N(C)C)C1 262262839 FDMLXWFJBDOVRN-GFCCVEGCSA-N 309.414 -0.217 30 20 DBED CN/C(=N/[C@H]1CCn2ccnc2C1)NCCN1CCOCC1 262491707 XKVLOZWFKWTLIT-ZDUSSCGKSA-N 306.414 -0.305 30 20 DBED CN(C)CCCN(CCC#N)C(=O)CC[C@@H]1NC(=O)NC1=O 264037306 HDKRWJLKJJATTD-NSHDSACASA-N 309.370 -0.331 30 20 DBED N#Cc1cccc(CNC(=O)NCCN2C(=O)CNC2=O)c1 265081033 QKOHOIYYUPKNHS-UHFFFAOYSA-N 301.306 -0.091 30 20 DBED CNC(=O)[C@H]1CN(C(=O)C(=O)Nc2cccc(C#N)c2)CCO1 272806816 LNYFBCIEEZBKMD-GFCCVEGCSA-N 316.317 -0.530 30 20 DBED C[C@@H](CNS(=O)(=O)c1cccnc1C#N)N1CCN(C)CC1 277102533 XAKFCSYUOZUOJX-LBPRGKRZSA-N 323.422 -0.133 30 20 DBED C#CCNC(=O)CN1CCN(c2nnc(CC)c(CC)n2)CC1 277333200 YMETZILKDXKVPE-UHFFFAOYSA-N 316.409 -0.132 30 20 DBED C[C@H](Nc1c(C#N)c(=O)n(C)c(=O)n1C)C(=O)NC(C)(C)C 299349321 MACKFZYCRKPLNH-QMMMGPOBSA-N 307.354 -0.329 30 20 DBED CC(=O)N1CCN(C(=O)CC/N=C(/O)c2cncn2C)CC1 330342961 BLOSCXDHIPDMOJ-UHFFFAOYSA-N 307.354 -0.195 30 20 DBED CC(=O)N1CCN(C(=O)CN(C)CC/N=C(/O)N(C)C)CC1 330626432 VOWCFBSGBKJTLO-UHFFFAOYSA-N 313.402 -0.916 30 20 DBED C=CCCC(=O)N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 331042621 DELYOSRDWZZBBS-VXGBXAGGSA-N 302.396 -0.745 30 20 DBED Cc1noc(C)c1CN/C(O)=N/CCNS(=O)(=O)N(C)C 331224785 BKEBTHASOCQORL-UHFFFAOYSA-N 319.387 -0.309 30 20 DBED CNS(=O)(=O)CC/N=C(/O)N(C)C[C@@H]1CCCC[C@H]1O 331278933 DONDXPJIUQSFQE-WDEREUQCSA-N 307.416 -0.068 30 20 DBED COC(=O)CN(C(C)C)S(=O)(=O)N1CCO[C@@H](C#N)C1 336913742 LEQCUAMOXJCLEC-JTQLQIEISA-N 305.356 -0.661 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCS(=O)(=O)C[C@H]1C 337076134 SEYNTZVLKLNJPY-VHSXEESVSA-N 309.413 -0.558 30 20 DBED CCN(CCC#N)S(=O)(=O)N[C@H]1CC(=O)N(C2CC2)C1 337078432 VDROCBDNTQQDEH-JTQLQIEISA-N 300.384 -0.180 30 20 DBED C=CCN1CC[C@H](N(C)CC(=O)N[C@@H](C)C(=O)N(C)C)C1=O 337228762 RHAYGFZACFGSHJ-RYUDHWBXSA-N 310.398 -0.702 30 20 DBED N#CCNS(=O)(=O)CCCS(=O)(=O)N[C@H]1CC=CCC1 349590362 JIMCFMZJTOYLQC-NSHDSACASA-N 321.424 -0.152 30 20 DBED C=C[C@H](CO)NC(=O)C(=O)Nc1cccc(-n2ccnn2)c1 354686363 ZRJWJXQZXZHELQ-SNVBAGLBSA-N 301.306 -0.131 30 20 DBED Cc1cc(C)n2nc(NC(=O)N3CCO[C@@H](C#N)C3)nc2n1 358158194 PHPLSFHSWJAVIG-JTQLQIEISA-N 301.310 0.497 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H]1CCCS(=O)(=O)C1 407954202 FQTAJLVNYOSQAO-MNOVXSKESA-N 323.440 -0.120 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N1C[C@H](C)O[C@H](COC)C1 410907616 DVJMSEWEYIKLAD-STQMWFEESA-N 314.382 -0.090 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)NCCN)CCN1Cc1ccccc1 419822685 WMNRKILTKQNUKV-AWEZNQCLSA-N 315.377 -0.702 30 20 DBED COCC[C@H](NS(=O)(=O)c1ccc(C#N)s1)C(N)=O 435427162 LQRNLTYOGIZWHG-QMMMGPOBSA-N 303.365 -0.212 30 20 DBED CC[C@H](CC#N)NC(=O)C(=O)Nc1ccn(CCN(C)C)n1 439559904 BFNKNJSZCKCHNX-LLVKDONJSA-N 306.370 0.192 30 20 DBED N#Cc1ccc(S(=O)(=O)N2CCO[C@@H](C(N)=O)C2)cc1F 489189676 KSADLKZBIJVFMG-LLVKDONJSA-N 313.310 -0.428 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2snnc2CC)CC1 491506887 RWNROGVSXHOZKP-UHFFFAOYSA-N 321.406 -0.392 30 20 DBED C#CCN1CCN(C(=O)CN2CCOC[C@]23CCOC3)CC1 491667538 IKJXRGBNRKHAPL-MRXNPFEDSA-N 307.394 -0.745 30 20 DBED C=CCNC(=O)NC(=O)CN1C[C@H](CN)C2(CCOCC2)C1 582487575 GCPVDTWVBZPKRK-LBPRGKRZSA-N 310.398 -0.315 30 20 DBED N#Cc1cncc(S(=O)(=O)N2[C@H]3CC[C@H]2CC(=O)NC3)c1 589281805 HXZLJZPOUSKARL-QWRGUYRKSA-N 306.347 -0.005 30 20 DBED CN1CC(=O)N(CCCC(=O)N2CCN(CCC#N)CC2)C1=O 602210919 WHWJZLHQFKRUDA-UHFFFAOYSA-N 321.381 -0.282 30 20 DBED C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)CCCN(C)C 631781830 VDEUTWAZRMOMFF-GFCCVEGCSA-N 324.468 -0.057 30 20 DBED CC#CC[C@@H](CO)NC(=O)C(=O)Nc1cccc(C(=O)NC)c1 646954950 HAWXFAVWFOFBTO-ZDUSSCGKSA-N 317.345 -0.125 30 20 DBED CC#CC[C@@H](CO)NC(=O)N[C@H]1CCN(S(C)(=O)=O)C1 651242329 XJCDQGCZBSRMBO-QWRGUYRKSA-N 303.384 -0.906 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@]2(CC)CCOC2)C1=O 682978564 LRKMTHHGGFIZMN-CQSZACIVSA-N 309.322 -0.352 30 20 DBED CN1CCN(c2ncc(C=NNC(=S)N(C)C)cn2)CC1 755709125 KFKWVROPVZDHTE-UHFFFAOYSA-N 307.427 -0.002 30 20 DBED C#C[C@H](NS(=O)(=O)CCNS(=O)(=O)CC)[C@@H]1CCCO1 773051741 DZJNXLKFKVSQKY-QWRGUYRKSA-N 324.424 -0.974 30 20 DBED C[C@@H](C#N)CNC(=O)NCCS(=O)(=O)N1CCOCC1 781933573 NDSHGHGPNFEWJS-JTQLQIEISA-N 304.372 -0.893 30 20 DBED CN(CCN1CCCS1(=O)=O)C(=O)[C@](C)(C#N)CC(=O)O 820597606 ZFHAKDZTTCJWPF-LBPRGKRZSA-N 317.367 -0.515 30 20 DBED C#CC1CCN(CC(=O)N2CCN(CC(=O)N(C)C)CC2)CC1 830311673 SPJYXFOXCZMIAI-UHFFFAOYSA-N 320.437 -0.436 30 20 DBED CN(CCC(=O)O)S(=O)(=O)N1CCN(C2CC2)[C@H](C#N)C1 830735476 UHGQBBDTIPJBFO-LLVKDONJSA-N 316.383 -0.690 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@@H]1CCCC[C@@H]1CN)[C@@H]1CCCO1 842164310 USJSWPSGYQISJR-RQJABVFESA-N 307.394 -0.083 30 20 DBED C#CCN1CCN(C(=O)CN2CCCC[C@@H]2CNC(C)=O)CC1 860174964 CECISIMBMVEQJB-MRXNPFEDSA-N 320.437 -0.246 30 20 DBED COC(=O)c1cnn(CC(=O)NS(=O)(=O)CCC#N)c1 860751752 HXEUQDJUPZUETF-UHFFFAOYSA-N 300.296 -0.971 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N[C@@H]1CCN(C2CC2)C1 875133640 MRETXAFWSSQKDW-CHWSQXEVSA-N 307.394 -0.116 30 20 DBED C[C@@H](NS(=O)(=O)N(C)CCC#N)[C@@H]1CN(C)CCN1C 920022443 VPYRCSXJGNUORK-NEPJUHHUSA-N 303.432 -0.699 30 20 DBED C#CCN1CCC[C@H](NC(=O)c2ccc(=O)n(CCOC)n2)C1 923589426 QVIYLYIWMNWXOS-ZDUSSCGKSA-N 318.377 -0.283 30 20 DBED C[C@@H](C#N)C(=O)N1CCCN(C(=O)CN2CCCNC2=O)CC1 941578881 APKBKWLLVGCMEI-LBPRGKRZSA-N 321.381 -0.378 30 20 DBED N#Cc1cc(C(=O)N2CCCC[C@@H](NC(=O)C(N)=O)C2)c[nH]1 943499706 XRDQNAFYPFERGC-SNVBAGLBSA-N 303.322 -0.517 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[C@H](NC(=O)C(N)=O)CC1 943766204 MPDUJKAYVHLVAC-KKOKHZNYSA-N 309.366 -0.394 30 20 DBED C[C@H]1CN(C(=O)CC(N)=O)CC[C@@H]1NC(=O)c1cc(C#N)c[nH]1 945223612 DZIBOBZIBHCAFJ-ONGXEEELSA-N 317.349 -0.271 30 20 DBED N#Cc1cc(C(=O)N2CC[C@@H]3CN(C(=O)C(N)=O)CC[C@@H]32)c[nH]1 946026480 XNVLBCMTXHHPAK-SKDRFNHKSA-N 315.333 -0.565 30 20 DBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@@H](NC(=O)C(N)=O)C1 950947094 HLOHUICZCKZJEY-AGIUHOORSA-N 323.393 -0.050 30 20 DBED Cc1nn[nH]c1C(=O)N1CC(N(C)C(=O)c2ccc(C#N)[nH]2)C1 954072578 ATJLEQHQGUHMKN-UHFFFAOYSA-N 313.321 -0.091 30 20 DBED C[C@H](C#N)C(=O)N1CCC(N(C)C(=O)[C@@H]2CCNC2=O)CC1 954132550 UNIXXFUZFXEWTH-ZYHUDNBSSA-N 306.366 -0.268 30 20 DBED C#Cc1ccc(C(=O)N2CC(N(C)C(=O)c3nnn(C)n3)C2)cc1 955030101 FKGOGLHMDNRIQF-UHFFFAOYSA-N 324.344 -0.212 30 20 DBED C[C@H]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)CC(N)=O 955590426 BWQNUYCJXUKFAQ-ONGXEEELSA-N 317.349 -0.129 30 20 DBED C#CCN1CC(N(CC)C(=O)c2nc(O)nc(O)c2OC)C1 957132721 XSBCLCXRNQUUTE-UHFFFAOYSA-N 306.322 -0.324 30 20 DBED C=CCCN1C[C@@H](O)[C@@H](CNC(=O)c2ccc3nn[nH]c3n2)C1 958122626 YSMKDYMQKFNNGX-GXFFZTMASA-N 316.365 -0.049 30 20 DBED N#CCN1C[C@@H](O)[C@H](CNC(=O)c2cnn3ncccc23)C1 958136187 ZSORZDDWASTXEW-ZWNOBZJWSA-N 300.322 -0.725 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2[C@@H]3CN(CC(=O)N4CCC4)C[C@@H]32)[nH]1 958597599 HOAMUAGBDADWTO-JYAVWHMHSA-N 313.361 -0.221 30 20 DBED N#CCN1C[C@H]2[C@H](NC(=O)[C@H]3CN4CC5CC4(CO3)C5)[C@H]2C1 961278887 GUTQJCLRYOCTAM-CCTQGRIMSA-N 302.378 -0.580 30 20 DBED C=CCN1C[C@H]2C(NC(=O)[C@H]3CCc4nnnn4CC3)[C@@H]2C1 961843848 CGMAMOMGFHMGML-QJPTWQEYSA-N 302.382 -0.142 30 20 DBED CCn1ccc(CC(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)n1 964762380 RWEXMSHWOULHAW-UHTWSYAYSA-N 319.365 -0.707 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)CC(N)=O)CC1 965192753 AOEBURYORQRTPY-XQQFMLRXSA-N 323.393 -0.050 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC2(CN(C(=O)c3ccnn3C)C2)C1 965475096 UTGSUJVRWGZIIV-NSHDSACASA-N 317.349 -0.367 30 20 DBED C[C@H](C#N)C(=O)N1CC(N2CCN(C(=O)c3cnon3)CC2)C1 967245196 JHTLGEHAUGDZLU-SNVBAGLBSA-N 318.337 -0.802 30 20 DBED CN(C(=O)c1c[nH]c(C#N)c1)[C@@H]1CCCN(C(=O)C(N)=O)CC1 967518493 CYAARMPAWHWPIZ-GFCCVEGCSA-N 317.349 -0.175 30 20 DBED Cc1ccn(CC(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)n1 970685815 OCQMJQMSCAHVNW-WCQGTBRESA-N 305.338 -0.961 30 20 DBED C=CCCN1CCO[C@]2(CCN(C(=O)CS(C)(=O)=O)C2)C1 972285578 OOGHTCATNOKFSC-CQSZACIVSA-N 316.423 -0.090 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)Cn3cncn3)C2)[nH]1 974040197 CAIANYNHRDUXQV-PHIMTYICSA-N 313.321 -0.445 30 20 DBED C#CCN1C[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)C(C)(C)C1 977536856 DZZISLNNTJNDML-GFCCVEGCSA-N 305.382 -0.650 30 20 DBED CN(C)C(=O)CN1C[C@H]2[C@H](CNC(=O)c3ccc(C#N)[nH]3)[C@H]2C1 978016329 ATKAGPPXVPRTRM-XYYAHUGASA-N 315.377 -0.118 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NCC1[C@@H]2CN(CC(N)=O)C[C@@H]12 978166194 KOTJMKBHGCSYCW-SAXRGWBVSA-N 307.394 -0.253 30 20 DBED COc1c(O)nc(O)nc1C(=O)NCC1[C@H]2CN(CC#N)C[C@H]12 978944961 ZWZISXWYWGUQBW-RKDXNWHRSA-N 319.321 -0.672 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NC1CCC(NC(=O)C(N)=O)CC1 980237989 NWRBRIJEFLGUHW-TUUUFIMRSA-N 323.393 -0.004 30 20 DBED C=CCN1C[C@@]2(C)CN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C[C@@]2(C)C1 982604662 BRQWTBKYRQURIX-KNXALSJPSA-N 320.393 -0.059 30 20 DBED C[C@@H]1CCN(C(=O)C(N)=O)[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 984021629 FHKFEHJGYQXLMZ-KOLCDFICSA-N 317.349 -0.271 30 20 DBED CN(C(=O)C(N)=O)[C@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1 984101989 LWZAWERJHINPEM-NSHDSACASA-N 303.322 -0.565 30 20 DBED CN(CC#N)C1CCN(C(=O)c2cn(C)c(=O)nc2O)CC1 985787702 SRDKINPXBCTYEJ-UHFFFAOYSA-N 305.338 -0.454 30 20 DBED N#CCN1CC[C@]2(NC(=O)C[C@H]3CC(=O)NC3=O)CCC[C@H]12 992547922 PEPXFHCSZJUOHY-JRPNMDOOSA-N 304.350 -0.324 30 20 DBED C[C@H]1CCN(C(=O)C(=O)NC2CN(C(=O)C#CC3CC3)C2)C1 1000161580 OYTPVLRVXIVXRF-NSHDSACASA-N 303.362 -0.405 30 20 DBED CC1(C)C(=O)NC(=O)N1CC(=O)N1CCC[C@@H](NCC#N)C1 1000626524 VOAUTFZTWKEORS-SNVBAGLBSA-N 307.354 -0.579 30 20 DBED CO[C@@H](C)C(=O)N1CCNC(=O)CCN(C(=O)[C@H](C)C#N)CC1 1001777496 PXBALAJVUZTVKW-NEPJUHHUSA-N 324.381 -0.642 30 20 DBED C#CCCN1CCC(CNC(=O)[C@@H]2CCS(=O)(=O)N2)CC1 1002134493 YQWGQLCVOOJLAZ-ZDUSSCGKSA-N 313.423 -0.470 30 20 DBED C#Cc1cncc(C(=O)NCC2CN(C(=O)c3cnon3)C2)c1 1004199855 VDKYNOFEXLJAEJ-UHFFFAOYSA-N 311.301 -0.052 30 20 DBED C#CCCN1CCC[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C1 1007456914 HVDQUMZZNOFNOK-CYBMUJFWSA-N 318.377 -0.849 30 20 DBED C=CCN1CC[C@H](N2CCC[C@@H](NC(=O)c3cnn[nH]3)C2)C1=O 1007757586 ASYKSHKVACRQNT-YPMHNXCESA-N 318.381 -0.214 30 20 DBED C=CCN1CC[C@@H](N2CC[C@H](NC(=O)c3cn(C)nn3)C2)C1=O 1010863293 UESRMRDZRAGWEZ-WCQYABFASA-N 318.381 -0.594 30 20 DBED Cn1nnc(C(=O)N2CC[C@H]3CN(C(=O)C#CC4CC4)C[C@H]32)n1 1022410643 KLZFEBOLLINAMG-NWDGAFQWSA-N 314.349 -0.704 30 20 DBED CN(CC#N)[C@@H]1CCCN(C(=O)CN2CCCS2(=O)=O)C1 1027434536 SDSGSJQELJVMIW-GFCCVEGCSA-N 314.411 -0.532 30 20 DBED C=CCN1CC[C@H](N2CC[C@@H](CNC(=O)c3nc[nH]n3)C2)C1=O 1028876537 DKOAQKAAGYAYQV-RYUDHWBXSA-N 318.381 -0.357 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)c3nnn(C)c3C)C2)C1=O 1030177702 UQRLEWSKYVSZOG-GFCCVEGCSA-N 318.381 -0.676 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)[C@@]34COC[C@@H]3C4)C2)C1=O 1030343885 UEFPQVDVXWLCSI-RBOXIYTFSA-N 305.378 -0.390 30 20 DBED C=C(Cl)CN1CC(NC(=O)CN2CC(=O)N(C)C2=O)C1 1031250353 GOSBEICVTXLEBJ-UHFFFAOYSA-N 300.746 -0.567 30 20 DBED N#Cc1cc(C(=O)NCC2CN(CC(=O)N3CCC3)C2)c[nH]1 1031622032 SGRMQECZUARPGB-UHFFFAOYSA-N 301.350 -0.220 30 20 DBED N#Cc1cc(C(=O)N2C[C@@H]3C[C@H]2CN3Cc2nc(O)n[nH]2)c[nH]1 1032362734 PTLNTFDZFAMXFV-QWRGUYRKSA-N 313.321 -0.191 30 20 DBED CN(C(=O)c1c[nH]c(C#N)c1)[C@H]1CCN(Cc2nnnn2C)C1 1033019160 GKWHBJOVAOQGHQ-LBPRGKRZSA-N 314.353 -0.244 30 20 DBED C#CCCN1CC[C@@H](N(C)C(=O)CN2C(=O)CN(C)C2=O)C1 1033641584 AFRAXFOTKWLXHC-GFCCVEGCSA-N 306.366 -0.564 30 20 DBED C#CCN1CC[C@H](N(CC)C(=O)c2cn(C)c(=O)n(C)c2=O)C1 1033980283 VPZXVAMMPRVKMQ-LBPRGKRZSA-N 318.377 -0.746 30 20 DBED C#CCN[C@H]1CC[C@H](NC(=O)c2cnc(O)n(C)c2=O)CC1 1034703836 GBQXNKPROMYURL-XYPYZODXSA-N 304.350 -0.250 30 20 DBED N#Cc1ccc(C(=O)N2CCC3(CC2)CN(CC(N)=O)C3)[nH]1 1035687378 CFVPCABYTPILHH-UHFFFAOYSA-N 301.350 -0.090 30 20 DBED C#CCN[C@@H]1CCN(C(=O)CCn2ncn(C)c2=O)C[C@H]1CC 1037887836 RTMAKAIUFGEHBK-ZIAGYGMSSA-N 319.409 -0.178 30 20 DBED C#CCN[C@H]1CCN(C(=O)CN2CCNC(=O)C2)C[C@H]1CC 1037894088 XFMBKBBWMFYGQI-KGLIPLIRSA-N 306.410 -0.732 30 20 DBED Cc1nn[nH]c1C(=O)N1CC[C@@](O)(CNC(=O)C#CC(C)C)C1 1039665807 SWNDKWAVLJVFIG-OAHLLOKOSA-N 319.365 -0.534 30 20 DBED COCC(=O)N1CC[C@H]2OCCN(c3cncc(C#N)n3)[C@@H]2C1 1039990825 YOJGKKIFGXXYCO-CHWSQXEVSA-N 317.349 -0.199 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@@](O)(CNC(=O)c2cc[nH]c2)C1 1040090849 UDZKYSFZULSETA-BLLLJJGKSA-N 319.361 -0.254 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)[C@@H](C)OCCOC)C1 1041962964 CDMNCZZHZQYZFI-GFCCVEGCSA-N 314.382 -0.306 30 20 DBED C=CCCN1CC[C@H]2CCN(C(=O)CN3CCNC(=O)C3)C[C@H]21 1042182605 GCHOKHFRJMKWDS-LSDHHAIUSA-N 320.437 -0.083 30 20 DBED C[C@@H]1CN(c2nccnc2C#N)C[C@H]1NC(=O)[C@H]1CCNC1=O 1042400141 JVVSNGOHCSZEEX-JFGNBEQYSA-N 314.349 -0.575 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)c2[nH]ccc2C)C1 1042853275 DMCRWTUQBLKARA-UHFFFAOYSA-N 319.361 -0.334 30 20 DBED Cc1nc(CC(=O)N2CC(O)(CNC(=O)C#CC(C)C)C2)n[nH]1 1042936818 QVFPKEXWTZMOCF-UHFFFAOYSA-N 319.365 -0.995 30 20 DBED O=C(C#CC1CC1)NCC1(O)CN(C(=O)c2ncccc2O)C1 1042957991 CVFBBHSPMHRMDP-UHFFFAOYSA-N 315.329 -0.496 30 20 DBED C[C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1Nc1ccc(C#N)nn1 1043185225 NAUJVZAGXWEUJW-ZYHUDNBSSA-N 312.337 -0.101 30 20 DBED C=C(C)CCC(=O)NCC1(O)CN(C(=O)[C@@H](COC)OC)C1 1043314915 KFGNBFHJUGHHAW-GFCCVEGCSA-N 314.382 -0.306 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CN(Cc2nnnn2C)C1 1044038597 FADNGCMJEVIJBO-JSGCOSHPSA-N 320.397 -0.166 30 20 DBED C=C(C)C(C)(C)C(=O)NCC1(O)CN(C(=O)c2cn(C)nn2)C1 1044410952 YYLPDUQBGRHGKM-UHFFFAOYSA-N 321.381 -0.280 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)[C@]3(F)CCOC3)C2)cn1 1044425586 FKNKXCJZNJHLSH-IPYPFGDCSA-N 320.324 -0.252 30 20 DBED C=C[C@@](C)(CC)C(=O)NCC1(O)CN(C(=O)Cn2cncn2)C1 1045783205 RPLCENUHNYDSRP-AWEZNQCLSA-N 321.381 -0.430 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)C[C@H](C)n2cccn2)C1 1046609276 OQJMETWHKSJZRD-RYUDHWBXSA-N 319.365 -0.317 30 20 DBED Cn1cc(C(=O)NC[C@H]2C[C@H](N=c3cc[nH]c(C#N)n3)C2)nn1 1046793032 DJIKMGJMLYCSDP-MGCOHNPYSA-N 312.337 -0.481 30 20 DBED C=CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCS(=O)(=O)C2)C1 1047450519 ZNVLYKNHLVJMDC-AGIUHOORSA-N 316.423 -0.499 30 20 DBED C=CCCN1CCOC[C@H]1CNC(=O)C1CC(=O)NC(=O)C1 1051163328 DDEBKIQMMQBEIH-GFCCVEGCSA-N 309.366 -0.568 30 20 DBED C[C@@H](C#N)C(=O)N[C@@]1(CO)CCCN(C(=O)c2cncnc2)C1 1056094073 PQTXYXNDPZDVSI-NHYWBVRUSA-N 317.349 -0.280 30 20 DBED Cc1c(C(=O)N[C@H]2[C@@H]3CN(c4ccc(C#N)nn4)C[C@@H]32)nnn1C 1056176238 LADOYQPEWOXMFS-YABSGUDNSA-N 324.348 -0.350 30 20 DBED Cc1cc(=N[C@@H]2CCN(C(=O)CS(C)(=O)=O)C2)c(C#N)c[nH]1 1056580820 NXKYUCKGPHYUGP-GFCCVEGCSA-N 322.390 -0.259 30 20 DBED CN(c1ccc(C#N)cn1)[C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 1057012725 NNQBXTAITOUHJV-VXGBXAGGSA-N 314.349 -0.328 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)[C@H](C)n1cncn1 1057383331 MNSUAJNIXTXBCA-LBPRGKRZSA-N 309.370 -0.258 30 20 DBED C=C[C@](C)(O)CC(=O)N(CCO)CCNC(=O)Cn1ccnc1 1057452217 XTXLFUBRUVETQY-HNNXBMFYSA-N 324.381 -0.853 30 20 DBED O=C(CCc1cn[nH]c1)NCCN(CCO)C(=O)C#CC1CC1 1057536048 JXNMTXMAZIQQMF-UHFFFAOYSA-N 318.377 -0.307 30 20 DBED O=C(CCc1cnc[nH]1)NCCN(CCO)C(=O)C#CC1CC1 1057537611 HPFSDKDVQXXDQF-UHFFFAOYSA-N 318.377 -0.307 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)CCCn1ccnn1 1057824417 BBSIDBQIZUZXMW-UHFFFAOYSA-N 323.397 -0.038 30 20 DBED Cn1c(C(=O)N[C@H]2CCN(c3ccc(C#N)nn3)C2)cnc1O 1058507978 ROAYDDGSJYZEII-JTQLQIEISA-N 313.321 -0.204 30 20 DBED N#Cc1cccnc1N1CC[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 1058531077 GQAKNWQZPHXYNU-QWRGUYRKSA-N 300.322 -0.670 30 20 DBED N#Cc1nc(=N[C@@H]2CC[C@@H]3CN(C(=O)CC(N)=O)C[C@H]32)cc[nH]1 1060524018 SZRGFFDQQGKTJK-GMTAPVOTSA-N 314.349 -0.706 30 20 DBED N#Cc1nccnc1NC[C@H]1CCN(C(=O)Cn2ncnn2)C1 1060926586 BXOQZHMCKWKCPT-SNVBAGLBSA-N 313.325 -0.705 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)Cc1cncnc1 1061541920 FSXSOYKCPRJPMD-DGCLKSJQSA-N 317.349 -0.478 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)CCc1nc[nH]n1 1061847020 RKHQIWQXUKQDJZ-GHMZBOCLSA-N 320.353 -0.759 30 20 DBED CN(C(=O)[C@H]1COCCO1)[C@@H]1CCN(c2nccnc2C#N)C1 1062887699 YBJRLDSILKTTDU-DGCLKSJQSA-N 317.349 -0.199 30 20 DBED Cn1cnc(C(=O)N[C@H]2[C@H]3C[C@H]2N(c2nccnc2C#N)C3)n1 1064242881 VBETVGAERQMPIN-GDPRMGEGSA-N 310.321 -0.516 30 20 DBED N#Cc1cnc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)c2cnnc(O)c2)cn1 1064308624 FVPOGHIIGDIRJT-OLUVUFQESA-N 323.316 -0.149 30 20 DBED N#Cc1nccc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)c2cnnc(O)c2)n1 1064310726 ZLHGTAMIJWRIKI-ISTVAULSSA-N 323.316 -0.149 30 20 DBED N#Cc1nccc(N2CC[C@@]3(CCN(C(=O)C(N)=O)C3)C2)n1 1064640819 UIKVMDBOBNOQMO-CQSZACIVSA-N 300.322 -0.738 30 20 DBED CC(=O)N(C)CC(=O)NC[C@@H]1CN(C(=O)C#CC(C)C)CCO1 1065131333 YNAWLVNZWZEVDT-CQSZACIVSA-N 323.393 -0.532 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCO[C@H](CNC(=O)c2ncc[nH]2)C1 1065153780 CFRXZEIHCZEGKA-NWDGAFQWSA-N 320.349 -0.595 30 20 DBED C=CCCCC(=O)N1CC[C@@H](N2CCN(C(=O)C(N)=O)CC2)C1 1065713465 UDPRABZYWPNBAL-CYBMUJFWSA-N 322.409 -0.427 30 20 DBED C[C@@H]1CN(C(=O)Cn2nccn2)C[C@@H]1N=c1cc[nH]cc1C#N 1067154150 ZGMZJJZEPWOYAW-RISCZKNCSA-N 311.349 -0.074 30 20 DBED N#Cc1ccc(N2C[C@@H]3C(CNC(=O)c4nc[nH]n4)[C@H]3C2)nn1 1068180592 MPPFEJIFNAPMRM-GHMZBOCLSA-N 310.321 -0.421 30 20 DBED Cc1nn[nH]c1C(=O)NC[C@H]1[C@@H]2CN(c3cnc(C#N)cn3)C[C@H]12 1068191672 BJDBJFDOPGMJQC-CNDDSTCGSA-N 324.348 -0.113 30 20 DBED C=CCOCC(=O)N1CC2(C1)CN(C(=O)[C@@H](C)C#N)CCO2 1068450906 BADUNANDOBZRRP-LBPRGKRZSA-N 307.350 -0.212 30 20 DBED C=CCCC(=O)N1CC2(CC[C@H](CNC(=O)CC(N)=O)O2)C1 1068544024 WFCRDSWPSHOAOY-LLVKDONJSA-N 309.366 -0.296 30 20 DBED CC(C)C#CC(=O)N[C@@H]1COC2(C1)CN(C(=O)c1nc[nH]n1)C2 1068859483 RYPVBDYASSKWPW-NSHDSACASA-N 317.349 -0.436 30 20 DBED C=C(C)CCC(=O)NCC1(NC(=O)CC(N)=O)CCOCC1 1070048848 JZTKESZHCJEZNV-UHFFFAOYSA-N 311.382 0.000 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@@H](C)n2cccn2)C[C@@H]1n1ccnn1 1070155139 YWGWDVFHJAJTIB-MCIONIFRSA-N 313.365 -0.290 30 20 DBED C=CCN[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2C)C[C@@H]1n1ccnn1 1070258547 ZQMNNVBFNQTZME-UPJWGTAASA-N 318.381 -0.574 30 20 DBED C=CCCN1CC2(C1)CN(C(=O)C(N)=O)C[C@@H]2c1n[nH]c(C)n1 1070449600 UEKAOTJVMODVPS-LLVKDONJSA-N 318.381 -0.598 30 20 DBED Cn1cncc1[C@@H]1CN(C(=O)Cc2cc[nH]n2)C[C@H]1NCC#N 1070632000 AIUNFDUTURCELM-CHWSQXEVSA-N 313.365 -0.207 30 20 DBED N#CCN1C[C@H]2C[C@@H]3CN(C(=O)CO[C@H]4CCOC4)C[C@@]3(C1)O2 1070799831 LMAKYJGBNQZCJN-HLPPOEQASA-N 321.377 -0.383 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)c2cnn(C)c2)CC1 1070938473 VHVNCKPWTUMZPX-UHFFFAOYSA-N 303.366 -0.683 30 20 DBED CN1C[C@@H](C(=O)N2CCC[C@@H](NC(=O)C#CC3CC3)C2)NC1=O 1071069997 BEWWBWJKEKTQFL-OLZOCXBDSA-N 318.377 -0.469 30 20 DBED C=CCOCC(=O)N1CC[C@H](NC(=O)c2ncn(C)n2)[C@H](C)C1 1073926913 MHGZUQFAJFJXLF-NEPJUHHUSA-N 321.381 -0.016 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)Cc3ccn(C)n3)C[C@@H]21 1074238670 RLHICIHYFXGOFI-LSDHHAIUSA-N 302.378 -0.103 30 20 DBED COc1nccc(C(=O)N2CC[C@@H]3OCCN(CC#N)[C@H]3C2)n1 1074295411 YJRCHIFBNZQLLR-STQMWFEESA-N 317.349 -0.076 30 20 DBED Cc1ncnc(O)c1C(=O)N1CC[C@@H]2OCCN(CC#N)[C@H]2C1 1074316940 HYPFWZPHAWFDCU-RYUDHWBXSA-N 317.349 -0.071 30 20 DBED C=CCCC(=O)NCC1(O)CCN(C(=O)Cn2ncnn2)CC1 1074596358 RJKCAWMEUMPLEH-UHFFFAOYSA-N 322.369 -0.891 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(C(=O)CNC(N)=O)[C@H](C)C1 1074891894 MARVKNOZSJEHDA-MNOVXSKESA-N 312.370 -0.647 30 20 DBED C[C@H]1C[C@@H](NC(=O)CCNC(N)=O)CCN1C(=O)C#CC1CC1 1074985512 AQUUQBGEPVRXQT-AAEUAGOBSA-N 320.393 -0.046 30 20 DBED C=CCN1C[C@@H]2CCN(C(=O)Cn3ccc(O)nc3=O)[C@@H]2C1 1076003113 RLIXCSKHQJRSMB-NWDGAFQWSA-N 304.350 -0.332 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H](C)CCNC(=O)Cn1cnnc1O 1076227113 LSXVFJNIKCNXRZ-WDEREUQCSA-N 323.353 -0.967 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC(=O)N(C(CC)CC)C2)C1 1077083633 BNBNYTNYJNBQMT-BPLDGKMQSA-N 321.421 -0.182 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)c2cc(=O)c(OC)c[nH]2)C1 1077390473 USZNGJDJOSTROA-DGCLKSJQSA-N 305.334 -0.818 30 20 DBED C[C@@H](CCNC(=O)[C@@H](C)C#N)NC(=O)c1cncc(C(N)=O)c1 1078133857 XLDBBIVZMITUJP-UWVGGRQHSA-N 317.349 -0.035 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)CN2CCCCCC2=O)C1 1078146965 JYQMQGDEVSNKQY-ZIAGYGMSSA-N 307.394 -0.426 30 20 DBED C#CCN[C@@H]1C[C@@H](NC(=O)CN2CCN(C)C(=O)C2)C12CCC2 1078663195 JFAIKPWVXMARSH-ZIAGYGMSSA-N 318.421 -0.589 30 20 DBED C[C@@H]1CN(Cc2nc(O)n[nH]2)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 1079543790 TXWZWXKRNQHDFZ-LDYMZIIASA-N 315.337 -0.040 30 20 DBED Cc1conc1C(=O)N1C[C@H](CNC(=O)C#CC2CC2)[C@@H](O)C1 1081471730 RLOPXYSEVHESQL-STQMWFEESA-N 317.345 -0.054 30 20 DBED C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C[C@H]1NCC#N 1082507933 KAXIVGRFSKTQGL-NTZNESFSSA-N 316.365 -0.277 30 20 DBED C=C1CCC(C(=O)N[C@@H]2CN(CC(=O)N(C)C)C[C@@H]2O)CC1 1083754428 QSAFEZGCKPGUSN-KGLIPLIRSA-N 309.410 -0.018 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2[nH]nnc2-c2ccccc2)C1 1084096634 RXQSPVMPELRIRK-OLZOCXBDSA-N 311.345 -0.120 30 20 DBED C=CCN1CC[C@@H]2CN(C(=O)Cn3nc(C)n(C)c3=O)C[C@@H]2C1 1088187567 GGYXSOUUQWQOFQ-KGLIPLIRSA-N 319.409 -0.143 30 20 DBED CC#CCN1CC[C@@H](NC(=O)Cc2cn(C)nc2C)[C@@H](O)C1 1090331575 LOGBOGHXGPVYGO-CABCVRRESA-N 304.394 -0.154 30 20 DBED CSCCC(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1O 1090368884 NBYLDYKPIKNHDG-GHMZBOCLSA-N 307.379 -0.233 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2nccn3ccnc23)[C@@H](O)C1 1090580794 LRBSFQYOWHGIIR-OLZOCXBDSA-N 313.361 -0.082 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2c(C)nn(C)c2OC)[C@@H](O)C1 1090615818 KIPBUUPAXXKERC-OLZOCXBDSA-N 320.393 -0.075 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1C 1090652148 OPCOHUPMIWAHMA-BXKDBHETSA-N 302.338 -0.575 30 20 DBED C=CCN1CC[C@@H](NC(=O)Cc2nc(C3CC3)nn2C)[C@@H](O)C1 1090825211 XDFGAIUVPROKSS-OLZOCXBDSA-N 319.409 -0.028 30 20 DBED COCCCCC(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1091085754 CPPNMYIPWIQCDG-OLZOCXBDSA-N 319.365 -0.169 30 20 DBED C[C@]1(CNC(=O)C(N)=O)CN(c2cccc(F)c2C#N)CCO1 1092775404 XUCXTSUABQCZPR-HNNXBMFYSA-N 320.324 -0.106 30 20 DBED CC(=O)NCC(=O)N[C@H]1[C@@H]2CN(c3cc(C)ncc3C#N)C[C@@H]21 1093215911 RVFBQTDLJBBQNV-VIKVFOODSA-N 313.361 -0.051 30 20 DBED N#Cc1cncc(NCCNC(=O)[C@@H]2CCCS2(=O)=O)n1 1093669666 DDUBGCVOKZMVCK-JTQLQIEISA-N 309.351 -0.546 30 20 DBED C=CCN1CC(n2cc(CNC(=O)[C@H]3C[C@H]3C(=O)OC)nn2)C1 1094279371 JJMYEPHVEOQAHN-QWHCGFSZSA-N 319.365 -0.254 30 20 DBED Cc1c(C(=O)N[C@@H]2CC(=O)N(C3CN(CC#N)C3)C2)cnn1C 1094702932 HXVFIUUHRGXBHK-LLVKDONJSA-N 316.365 -0.733 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)c3nc(C)oc3C)CC2=O)C1 1094803055 FNIMNSZQXZRAFN-LBPRGKRZSA-N 316.361 -0.060 30 20 DBED C#CCN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN1C(=O)CCC1=O)C2 1095052697 XVUKJJZWUFUPDE-AVGNSLFASA-N 303.362 -0.262 30 20 DBED CNC(=O)CC(=O)N[C@H]1CCN(c2ncc(C#N)cc2F)C1 1096352711 ONDDHPZINKUUIX-JTQLQIEISA-N 305.313 -0.077 30 20 DBED C[C@H](CNC(=O)[C@H]1COCCN1C)Nc1cnc(C#N)cn1 1097765077 NDUFCOBSARWILE-ZYHUDNBSSA-N 304.354 -0.405 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CCN(C)C1=O)N=c1cc[nH]c(C#N)n1 1098194004 MXZMRSAZADSVIY-UWVGGRQHSA-N 302.338 -0.835 30 20 DBED C[C@H](NC(N)=O)C(=O)N1CC[C@H](CNc2cnc(C#N)cn2)C1 1098522436 YQLFFFXLZPOVQB-VHSXEESVSA-N 317.353 -0.335 30 20 DBED CC(=O)N1CC[C@H](C(=O)N2CCC(N(CC#N)CCO)CC2)C1 1098547562 AJESMJYHWHTLOC-AWEZNQCLSA-N 322.409 -0.336 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)c2cocn2)[C@@H](O)C1 1099739228 YWYRTSPNSNOCMK-PWSUYJOCSA-N 308.338 -0.858 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H](O)C1 1099776257 PELGNTKTJZAKGG-HIFRSBDPSA-N 316.361 -0.299 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)Cc2nnc(C)o2)[C@H](O)C1 1099801704 JNIBWKJYJFVLFT-CHWSQXEVSA-N 324.381 -0.325 30 20 DBED Cn1cc(CN2CC[C@H](NC(=O)C#CC3CC3)[C@H](O)C2)cn1 1099823955 MPLXDEPBXXFNBP-LSDHHAIUSA-N 302.378 -0.115 30 20 DBED Cn1ncnc1CN1CC[C@@H](NC(=O)C#CC(C)(C)C)[C@@H](O)C1 1099830101 MUOMPJVPHMQWCA-OLZOCXBDSA-N 319.409 -0.084 30 20 DBED CCCN(C)CC(=O)N[C@H]1CCN(CC#CCOC)C[C@@H]1O 1100082901 JUCQZRPERLFINQ-GJZGRUSLSA-N 311.426 -0.471 30 20 DBED CN(CCNC(=O)[C@]1(C)CCC(=O)N1)c1nccnc1C#N 1100310008 YBPGGTMGRLIIQN-AWEZNQCLSA-N 302.338 -0.431 30 20 DBED CCNC(=O)CC(=O)NC[C@H]1CCCN1c1cncc(C#N)n1 1100831916 MFOCWGAFJLIMHZ-GFCCVEGCSA-N 316.365 -0.041 30 20 DBED CCCN(CCNC(=O)[C@H]1COC(=O)N1)c1nccnc1C#N 1101132646 SSCMQEQBJSNDER-LLVKDONJSA-N 318.337 -0.211 30 20 DBED CCCN(CCNC(=O)[C@@H]1CCC(=O)N1)c1cncc(C#N)n1 1101163434 OKCITOSLJSEARC-LBPRGKRZSA-N 316.365 -0.041 30 20 DBED Cn1cc(C(=O)NCCN(c2ccc(C#N)nn2)C2CC2)nn1 1101338325 IDRSFECRPSVVPS-UHFFFAOYSA-N 312.337 -0.124 30 20 DBED Cc1cc(C#N)nc(NCCN(C)C(=O)CN2CCOCC2)n1 1101577627 YUEABVJCIRIHLB-UHFFFAOYSA-N 318.381 -0.141 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)C3(C(N)=O)CC3)c3nccn32)C1 1101641069 ITKHDUDHNKHZNK-JTQLQIEISA-N 314.349 -0.756 30 20 DBED CC[C@@H](CNC(=O)[C@@H]1CCNC1=O)N=c1cc[nH]c(C#N)n1 1103259640 PGPVUHLAWWVYDH-VHSXEESVSA-N 302.338 -0.787 30 20 DBED CNC(=O)NCC(=O)NC[C@H](C)CNc1ccc(C#N)nn1 1104246276 OAKYAAOPYFCUKZ-SECBINFHSA-N 305.342 -0.559 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)C1(C(N)=O)CC1 1104791618 NEPPEDQPYQFAOJ-SECBINFHSA-N 302.338 -0.706 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H](O)CNC(=O)Cc1cc[nH]n1 1105761627 DNBRQRSNGMBGCO-GFCCVEGCSA-N 300.322 -0.770 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNc1ncnc2c1ncn2C 1105774019 OYRDJNLQPITNPZ-IUCAKERBSA-N 303.326 -0.588 30 20 DBED CC[C@@H](OC)C(=O)NC[C@@H](O)CN=c1cc(C)[nH]cc1C#N 1105780378 RFGIHCLLMYOEKF-GXTWGEPZSA-N 306.366 -0.002 30 20 DBED N#Cc1nc(=NC[C@H](O)CNC(=O)/C=C\c2ccc[nH]2)cc[nH]1 1105812165 BDFQQVJESFRXDJ-MVZIDQBPSA-N 312.333 -0.299 30 20 DBED C[C@@H]1CC[C@H](C(=O)NC[C@@H](O)CNc2ccc(C#N)nn2)O1 1106110658 WOLXHQSIHBVFNV-ADEWGFFLSA-N 305.338 -0.195 30 20 DBED COC(=O)NCC(=O)NC/C=C/CNc1nccnc1C#N 1107057717 KEITVDWLEDDSFM-NSCUHMNNSA-N 304.310 -0.211 30 20 DBED N#Cc1nc(=NC/C=C/CNC(=O)CN2CCOCC2)cc[nH]1 1107133544 HGXZMSNOAXDIOL-OWOJBTEDSA-N 316.365 -0.813 30 20 DBED C[C@H](CNc1cnc(C#N)cn1)NC(=O)[C@H]1CN(C)CCO1 1107666856 JWLAFZCDWBDLOW-ZYHUDNBSSA-N 304.354 -0.405 30 20 DBED C=CCCC(=O)NC[C@]1(C)CN(Cc2nnnn2C)CCO1 1107802579 UWXGATNHGITFTO-CQSZACIVSA-N 308.386 -0.117 30 20 DBED C[C@H](CNc1cncc(C#N)n1)NC(=O)CCn1cnnn1 1107891396 ZKNUVTUHVUZEFY-SECBINFHSA-N 301.314 -0.658 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)C[C@H]1CCN(C)C1=O 1107981297 NCQAUQFAPZLYCN-GHMZBOCLSA-N 316.365 -0.445 30 20 DBED C=C(C)CN1CCO[C@](C)(CNC(=O)CN2CCNC(=O)C2)C1 1108117324 JVJHZUPIJWSNLD-MRXNPFEDSA-N 324.425 -0.799 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H](C)CN=c1cc[nH]c(C(=O)OC)n1 1108337716 KVXVLSCCVBIUBH-BONVTDFDSA-N 322.365 -0.071 30 20 DBED CCc1nc(C#N)cc(NC[C@H](C)NC(=O)CCNC(N)=O)n1 1108377070 GJYWEJXKUZCWLY-VIFPVBQESA-N 319.369 -0.114 30 20 DBED C[C@@H](CNc1ccc(C#N)nn1)NC(=O)C[C@@H](C)NC(N)=O 1108528056 DJSCPDZAQAWTQK-BDAKNGLRSA-N 305.342 -0.288 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H](C)CNc1nccn2nnnc12 1108530921 VQNJAKGCIMTIAE-VHSXEESVSA-N 303.326 -0.526 30 20 DBED C#CCN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCNS(C)(=O)=O)C2 1108699769 LQXOWERGGGTREZ-XQQFMLRXSA-N 313.423 -0.472 30 20 DBED C#CCCN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN1CCOCC1=O)C2 1108704453 MDELHINJJGZYOL-KKUMJFAQSA-N 319.405 -0.162 30 20 DBED C[C@@H](CNc1ccc(C#N)nc1)NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 1108706848 MBODPURLYGTFIJ-TVYUQYBPSA-N 317.349 -0.097 30 20 DBED Cc1cc(=NCCCN(C)C(=O)Cn2cnnn2)c(C#N)c[nH]1 1109363769 WJKFYUOJJKZNAO-UHFFFAOYSA-N 314.353 -0.369 30 20 DBED COCCC(=O)NC[C@]1(O)CCN(c2ccc(C#N)nn2)C1 1111016019 VMWOCGDMMGIOKZ-CQSZACIVSA-N 305.338 -0.558 30 20 DBED Cc1cc(C(=O)N(CCO)CCN=c2cc[nH]c(C#N)n2)n[nH]1 1111439178 MVEHRTIMDOQUTF-UHFFFAOYSA-N 315.337 -0.652 30 20 DBED CC(=O)NCC(=O)N1C[C@H](C)[C@H](N=c2cc[nH]c(C#N)n2)C1 1112296571 ZZAIXFXTUFIPRY-GXSJLCMTSA-N 302.338 -0.835 30 20 DBED C=CCN1CC[C@@H](N2CCN(C(=O)CNC(C)=O)CC2)C1=O 1112598966 NKBKLDNGUHLPOI-CYBMUJFWSA-N 308.382 -0.946 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)CCn2ccnn2)CC1 1112796265 YTZRZFHGFXSWOG-CYBMUJFWSA-N 320.397 -0.497 30 20 DBED C[C@@H](NC(=O)Cn1cnnn1)[C@@H](C)Nc1ncccc1C#N 1112905760 QYZFVFFMDCBKSV-NXEZZACHSA-N 300.326 -0.055 30 20 DBED C[C@H](Nc1ccc(C#N)nn1)[C@@H](C)NC(=O)Cn1cnnn1 1112905845 SJEJGQDLAJAEQW-DTWKUNHWSA-N 301.314 -0.660 30 20 DBED C[C@H](CC(=O)NC[C@@H](C)N(C)c1ccnc(C#N)n1)NC(N)=O 1113720507 RNKPHUMOTLYBMB-NXEZZACHSA-N 319.369 -0.264 30 20 DBED Cn1nnnc1CN1C[C@H]2C(NC(=O)CSCC#N)[C@@H]2C1 1113891203 NZNXXJMSXCVTRD-RKDXNWHRSA-N 307.383 -0.987 30 20 DBED Cc1ncoc1C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1114101473 QFUSMSILTVHKRB-IAZYJMLFSA-N 303.322 -0.717 30 20 DBED C#CCCN1C[C@H]2[C@H](NC(=O)CNC(=O)c3ccncc3)[C@H]2C1 1114312985 BBDRQKGQXRBFGU-FOLVSLTJSA-N 312.373 -0.119 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)c3nccs3)[C@H]2C1 1115011387 UAUVEUZKKDUBEG-NNYUYHANSA-N 318.402 -0.059 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)C34CCN(CC3)C4)[C@@H]2C1 1115123263 MOKHEDOTRXCJHK-ZIAGYGMSSA-N 303.406 -0.222 30 20 DBED C=CCO[C@H](C)C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1115332839 QLQUNSNUFZWFKD-NMKXLXIOSA-N 306.366 -0.736 30 20 DBED C[C@H](CN(C)C(=O)[C@@H](C)n1cncn1)N=c1cc[nH]c(C#N)n1 1115677805 FROBNVUIJTVJFU-GHMZBOCLSA-N 314.353 -0.118 30 20 DBED C=C(C)COCCNC(=O)C(=O)N1CCC(O)(COC)CC1 1117557379 BNHPWGIHZQTXMP-UHFFFAOYSA-N 314.382 -0.305 30 20 DBED CCN(CCS(C)(=O)=O)C(=O)C(=O)N1CCC[C@H](C#N)C1 1120342997 IEJVSJXCLOTKID-LLVKDONJSA-N 315.395 -0.358 30 20 DBED CC[C@@H](NC(C)=O)C(=O)N(C)C[C@@H](C)N=c1cc[nH]c(C#N)n1 1120685563 LCWDYAKRUNPFHN-ZYHUDNBSSA-N 318.381 -0.056 30 20 DBED CCC(=O)NCC(=O)NC[C@@H](CO)Nc1ncccc1C#N 1121241788 ONSIAQAZWIYJDQ-NSHDSACASA-N 305.338 -0.632 30 20 DBED Cc1nc(N[C@H](CO)CNC(=O)C#CC2CC2)nc(N(C)C)n1 1121439766 SOSRGMGELIIQAK-LBPRGKRZSA-N 318.381 -0.452 30 20 DBED CCc1nc(C(=O)NC[C@H](CO)N=c2cc[nH]c(C#N)n2)co1 1121473677 YNXAODSVDQZHDA-SECBINFHSA-N 316.321 -0.477 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)[C@H]2CCCC(=O)N2)nc1 1122176974 GYKCUSHDDNYBNV-NWDGAFQWSA-N 317.349 -0.489 30 20 DBED COCC1(C(=O)NC[C@H](CO)Nc2nccnc2C#N)CC1 1122246188 MLRPTLDGTLRPGI-SNVBAGLBSA-N 305.338 -0.336 30 20 DBED CC(=O)NCC(=O)N[C@H]1CCCN(c2cncc(C#N)n2)[C@@H]1C 1123520505 AVNMAPQYILVLOG-MFKMUULPSA-N 316.365 -0.042 30 20 DBED CN(C[C@@H](O)CNc1cnc(C#N)cn1)C(=O)c1cncn1C 1124592862 RPKJBGDJKNDGQB-NSHDSACASA-N 315.337 -0.373 30 20 DBED CN(C[C@H](O)CNc1ccc(C#N)nn1)C(=O)Cc1cnoc1 1124689820 ZWXUYCUSLCZIEJ-GFCCVEGCSA-N 316.321 -0.190 30 20 DBED COCCN(CCNC(=O)CCN(C)C)c1ccnc(C#N)n1 1126498458 HLTWFJDGXXGWGW-UHFFFAOYSA-N 320.397 -0.131 30 20 DBED COCCN(CCNC(=O)C(N)=O)c1cccc(F)c1C#N 1126507325 DCHBFRLBLMZCAR-UHFFFAOYSA-N 308.313 -0.248 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)CNC(=O)C1CCCC1 1127956936 QKCFWAULMYCYQQ-LBPRGKRZSA-N 324.425 -0.311 30 20 DBED CC(=O)N[C@H](C)C(=O)NCc1cnn2c1CN(CC#N)CC2 1128178544 JPFKSJWPVHPJRK-SNVBAGLBSA-N 304.354 -0.637 30 20 DBED N#CCN1CCn2ncc(CNC(=O)Cn3nccn3)c2C1 1128367360 WHAKATKYTXDTKE-UHFFFAOYSA-N 300.326 -0.870 30 20 DBED Cc1ccn2cnc(C(=O)NCCNCC(=O)NCC#N)c2c1 1130597402 YMZQBQZRXGTOAT-UHFFFAOYSA-N 314.349 -0.398 30 20 DBED CC#CCN1CCOC[C@H]1c1n[nH]c(CNC(=O)[C@@H](C)C#N)n1 1130839234 KDGGHEMRYVHWLF-RYUDHWBXSA-N 316.365 -0.023 30 20 DBED C#CCOCCC(=O)N1C[C@@H](NCCO)[C@H](c2cncn2C)C1 1130988761 NDJZEAUGBIXOAJ-ZIAGYGMSSA-N 320.393 -0.664 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)CC(=O)NCC)CC[C@@H]1C 1131985414 WTPJGNPJPQPLEC-STQMWFEESA-N 322.409 -0.769 30 20 DBED CNS(=O)(=O)CC(=O)N1CC[C@H](C)[C@H](CNCC#N)C1 1133333028 BQZKRDHLYFIXSP-WDEREUQCSA-N 302.400 -0.867 30 20 DBED N#Cc1ccccc1CN1CCCO[C@H](CNC(=O)C(N)=O)C1 1150212617 UASPAVDOVYUWGY-CQSZACIVSA-N 316.361 -0.249 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)[C@@H](CC(C)C)C(N)=O)C1=O 1153795582 SXJKKFJBWRUKKC-QWHCGFSZSA-N 324.425 -0.373 30 20 DBED N#CCSCC(=O)NCCCNCc1nnc2n1CCOC2 1154802594 KZYCDMVVGGBIJA-UHFFFAOYSA-N 324.410 -0.339 30 20 DBED COCCOC[C@H](O)CNCCCNC(=O)CSCC#N 1154814434 IZWSSLWGXVPHGM-GFCCVEGCSA-N 319.427 -0.637 30 20 DBED C#CCNC(=O)CC(=O)NCCC1(CN[C@H](CC)C(N)=O)CC1 1164183001 SNICKIBZAQGMIS-GFCCVEGCSA-N 322.409 -0.734 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NCCCN[C@@H]1CCNC1=O 1167685443 SKRLKXRNTJTAQM-OLZOCXBDSA-N 310.398 -0.558 30 20 DBED C[C@@H](CCCCNCC(=O)NCC#N)NC(=O)c1ccnn1C 1169687354 SEBHQDXWERAXQN-LBPRGKRZSA-N 320.397 -0.062 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)CCn1cc(C)cn1 1176942718 SIYAZIDUPDBRLC-AWEZNQCLSA-N 319.409 -0.185 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)C3(C(=O)NC)CC3)C[C@@H]21 1177113125 PCNANNUVQKSAQD-STQMWFEESA-N 305.378 -0.553 30 20 DBED C#CCNCCCCCCNC(=O)Cn1cnc(C(N)=O)n1 1178521672 BESPZEGSCIMWMS-UHFFFAOYSA-N 306.370 -0.724 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)c2cc3n(n2)CCO3)C1 1183295970 KVPXNXJYLRSWGD-GFCCVEGCSA-N 304.350 -0.271 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC[C@@H](NCC(=O)N(C)C)C1 1186103853 NMLNATRDKYEHPT-ZIAGYGMSSA-N 324.425 -0.264 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)[C@@H]2CCCCO2)C1 1189650976 GCMREPJZAHSYHF-KGLIPLIRSA-N 307.394 -0.162 30 20 DBED CCCCS(=O)(=O)NCC(=O)N1CC[C@H](N(C)CC#N)C1 1193736569 PCRLGNCSBBDFBX-LBPRGKRZSA-N 316.427 -0.238 30 20 DBED C[C@H](C#N)C(=O)N1CCCN(CC(=O)NC[C@@H]2CCCO2)CC1 1195314577 NBZUIYGDDZTLNJ-KGLIPLIRSA-N 322.409 -0.024 30 20 DBED CC(C)C[C@@H](C)CC(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1O 1197698480 IWNCNZFHPSVPPD-MGPQQGTHSA-N 324.425 -0.140 30 20 DBED C#CCCNC[C@H]1CN(C(=O)CCNC(=O)NC)CCCO1 1200428510 KUSOIBOTWVZNIZ-ZDUSSCGKSA-N 310.398 -0.464 30 20 DBED CC#CCNC1CCN(C(=O)CN2CCN(C)C(=O)C2)CC1 1201356591 KIWRPSOTGXCQLE-UHFFFAOYSA-N 306.410 -0.636 30 20 DBED C[C@@H]1CN(C)C[C@@H]1C(=O)N1CCC(NCC(=O)NCC#N)CC1 1202504899 WRFGQAWJARUDNP-OCCSQVGLSA-N 321.425 -0.596 30 20 DBED C#CCNC(=O)CN[C@@H]1C[C@@H](NC(=O)COCC=C)C12CCC2 1202634768 UZMJIPLHQZAFDU-ZIAGYGMSSA-N 319.405 -0.045 30 20 DBED CNC(=O)NCC(=O)N[C@@H]1C[C@H](NCC#CCOC)C12CCC2 1203005411 NULBJIKUHQQJTI-QWHCGFSZSA-N 322.409 -0.418 30 20 DBED N#CCNC(=O)CNCC1CCN(C(=O)Cc2cnoc2)CC1 1206006758 QHRBPZDERHZTJR-UHFFFAOYSA-N 319.365 -0.315 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN([C@@H]2CCN(C)C2=O)C[C@H]1C 1206957589 FQYBWVPGCJDGLT-MGPQQGTHSA-N 307.394 -0.307 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)CCN(C)C)[C@H](C)C1 1208495992 FWFYMKQVCIJPNQ-MGPQQGTHSA-N 308.426 -0.488 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)[C@H](CC)NC(C)=O)C1 1209756251 UIXPTXFGHSXFOK-KBPBESRZSA-N 322.409 -0.769 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)CCCCC(N)=O)[C@H](C)C1 1210166063 QVLNNVLJGAGYLM-CHWSQXEVSA-N 322.409 -0.782 30 20 DBED C=CCCO[C@H](C)C(=O)N[C@@H]1CN(CC(=O)NC)C[C@H]1OC 1211992489 PFIWETLWIAMUBO-JHJVBQTASA-N 313.398 -0.471 30 20 DBED C#CCOCCC(=O)N1C[C@@H](N[C@@H]2CCCNC2=O)[C@H](C)C1 1214608975 SODUPBHYULEGDQ-MGPQQGTHSA-N 307.394 -0.259 30 20 DBED CCn1ccc(CN2C[C@H](O)[C@H](NC(=O)C#CC3CC3)C2)n1 1219593404 RDPJUVYAPDBBCT-CABCVRRESA-N 302.378 -0.022 30 20 DBED CC(C)(C)c1noc(CCC(=O)N[C@@H]2CN(CC#N)C[C@@H]2O)n1 1220973377 JSIBXNCEBJPXJV-MNOVXSKESA-N 321.381 -0.015 30 20 DBED C=CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3ncn(C)n3)[C@@H]2C1 1221522700 JVYCHUDVTWCBOK-VXGBXAGGSA-N 318.381 -0.736 30 20 DBED COCC#CCN[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)NC(N)=O 1225868742 IWVSIIMKPLOOGS-YNEHKIRRSA-N 310.398 -0.290 30 20 DBED Cc1ncn(C)c1C(=O)NC1CCN(CC(=O)NCC#N)CC1 1227890156 DTCRPFMWGZAJHE-UHFFFAOYSA-N 318.381 -0.438 30 20 DBED Cn1ncnc1COCC(=O)N[C@@H]1CCCC[C@H]1NCC#N 1229435053 ZBGNOQKXJQIKEW-VXGBXAGGSA-N 306.370 -0.128 30 20 DBED CC#CCN1CCC(NC(=O)CCS(=O)(=O)N(C)C)CC1 1230334050 FGVKFYZVYJOTGV-UHFFFAOYSA-N 315.439 -0.128 30 20 DBED C=CCNC(=O)NC(=O)CN(C)CCCNC(=O)CCOC 1231027798 OBMCDBVIUOHGST-UHFFFAOYSA-N 314.386 -0.527 30 20 DBED C=CCNC(=O)CN1CC[C@H]1CN(C)C(=O)CN1CCOCC1 1233770641 KTCPZPBEEARQQN-AWEZNQCLSA-N 324.425 -0.847 30 20 DBED CC(C)N(C)CC(=O)N1CCC[C@@H]1CNCC(=O)NCC#N 1267969973 ORWGVSBAIORAFB-CYBMUJFWSA-N 309.414 -0.453 30 20 DBED C=CCOC[C@H](NC(=O)Cn1cc([C@H](C)O)nn1)C(=O)OC 1321582939 KMXTUHVOSFTRIY-ONGXEEELSA-N 312.326 -0.808 30 20 DBED C=CCN(C(=O)C(=O)NC1CCN(CC(=O)NC)CC1)C1CC1 1322134699 WTQJCBMKRKGOGJ-UHFFFAOYSA-N 322.409 -0.510 30 20 DBED C[C@@H](O)CCN(C)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1322700927 SLARQRDINHPILY-JBEXSADBSA-N 310.354 -0.075 30 20 DBED C=C[C@@H]1CCCCN1C(=O)C(=O)NCCNC(=O)c1cc[nH]n1 1323765527 KJRPNDXQGZKSRY-LLVKDONJSA-N 319.365 -0.177 30 20 DBED C=C[C@@H](COC)NC(=O)N1CC[C@H](S(=O)(=O)NCC)C1 1324015916 SCFBKBZNXLZCHP-QWRGUYRKSA-N 305.400 -0.089 30 20 DBED C[C@@H]1CN(C)C(=O)CN1C(=O)C(=O)N1CCC(C)(C#N)CC1 1325290957 URTFLTKNTPGLHS-LLVKDONJSA-N 306.366 -0.172 30 20 DBED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1cccc(C(=O)OC)n1 1326516613 WSQDPELXVOQHNS-SNVBAGLBSA-N 319.317 -0.303 30 20 DBED CN(Cc1cccnc1)C(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1328411968 CMYDWBBSTKIYIQ-HNNXBMFYSA-N 302.334 -0.083 30 20 DBED N#CCNC(=O)CNS(=O)(=O)c1cccc(CC(=O)O)c1 1328641935 CHNNFRJWBVTLOI-UHFFFAOYSA-N 311.319 -0.768 30 20 DBED C=C[C@H]1CCCCN1C(=O)C(=O)N(C)CCNS(C)(=O)=O 1331234294 SGABOBAECBEUQR-NSHDSACASA-N 317.411 -0.439 30 20 DBED COC(=O)[C@@H]1CC[C@H](NC(=O)C(=O)N2CC[C@@](F)(C#N)C2)C1 1333170878 CXZIRFFXUCBMEH-ISTVAULSSA-N 311.313 -0.092 30 20 DBED C=C(C)CCC(=O)N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 1337052354 KAFSSZDDHMAMPT-QWHCGFSZSA-N 316.423 -0.043 30 20 DBED N#C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H](N3CCNCC3)C2)C1 1339222850 FHIRJUGGNGEDHI-KBPBESRZSA-N 319.409 -0.745 30 20 DBED C=CCn1c([C@@H]2CC(=O)N(C)C2)nnc1N1CCNC(=O)C1 1339609158 HAEBLMVDQVDZCT-SNVBAGLBSA-N 304.354 -0.654 30 20 DBED Cn1ccnc1C(NC(=O)NCC#CCO)c1nccn1C 1339932460 KCQSKPSNIBSBKC-UHFFFAOYSA-N 302.338 -0.462 30 20 DBED C=CCCOCCNC(=O)C(=O)N1CC(N2CCCC2=O)C1 1341429035 TYJVICXRYHMSHG-UHFFFAOYSA-N 309.366 -0.472 30 20 DBED C#CCCCCNC(=O)C(=O)NCC1(N2CCOCC2)CC1 1342364931 PKJDIFLSFKVBBZ-UHFFFAOYSA-N 307.394 -0.113 30 20 DBED COCCNC(=O)[C@@H](C#N)C(=O)[C@@H](C)Sc1nncn1C 1342520066 MADPCIBTPFLZSV-BDAKNGLRSA-N 311.367 -0.233 30 20 DBED C[C@@H](O)[C@@H]1CCCN(C(=O)CCn2cc(C#N)c(O)nc2=O)C1 1362510156 MNBCZNFUZTZOPL-GHMZBOCLSA-N 320.349 -0.170 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)N[C@@H]2C[C@H](O)[C@H](O)C2)cc1 1363638219 MCXGYAQLNPRSPK-CLLJXQQHSA-N 303.318 -0.712 30 20 DBED C=C(Cl)CNC[C@H](O)CNC(=O)C[C@@H]1CCCC(=O)N1 1367608916 WKAATQFJWYHHAX-QWRGUYRKSA-N 303.790 -0.136 30 20 DBED C=C(Cl)CN1CC[C@@](C)(NC(=O)Cn2ncn(C)c2=O)C1 1380358192 QTSYPHRMLLORIU-CYBMUJFWSA-N 313.789 -0.085 30 20 DBED CC(=O)N[C@H](C)C(=O)N[C@@H](C)CNC(=O)c1cc(C#N)c[nH]1 1386717160 WAFRPYRLIFYJGG-DTWKUNHWSA-N 305.338 -0.355 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C)C(=O)CCC(=O)N1CCOCC1 1387079761 GPULCMAPPLTMOY-LBPRGKRZSA-N 324.381 -0.640 30 20 DBED CC(=O)N(C)CC(=O)NC[C@H](C)NC(=O)c1c[nH]c(C#N)c1 1397382975 ZONIHSBXYOTJMU-VIFPVBQESA-N 305.338 -0.401 30 20 DBED C[C@@H](C#N)C(=O)NCCN1CCN(Cc2ncnn2C)CC1 1402103115 NPMRBDCLMOHVDU-LBPRGKRZSA-N 305.386 -0.791 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CCN(C(=O)CN2CCCC2=O)C1 1408366884 LXCIHWBGVRSLQU-RYUDHWBXSA-N 306.366 -0.267 30 20 DBED Cc1nc(C(=O)N2CCN(CCC#N)CC2)nn1-c1nc[nH]n1 1412466359 FFANTAVKKMAZAP-UHFFFAOYSA-N 315.341 -0.635 30 20 DBED N#Cc1ncn(CCNC(=O)[C@H]2COc3ccc(O)cc3O2)n1 1412935931 OIHHDGJRIDUASY-GFCCVEGCSA-N 315.289 -0.188 30 20 DBED C[C@@H](NC(=O)CCn1cc(C#N)c(O)nc1=O)c1ncn(C)n1 1433917302 ULINJLZROTYVKW-MRVPVSSYSA-N 317.309 -0.783 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H](O)CNC(=O)[C@@H]2CCCCO2)c1 1452336794 UABZZNFHKROGEA-AAEUAGOBSA-N 320.349 -0.338 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CCN(C(=O)CCn2cncn2)C1 1454811901 LCPLICQTBBOHPO-RYUDHWBXSA-N 304.354 -0.207 30 20 DBED CCN1CCO[C@@H](C(=O)NC2(CNC(=O)[C@@H](C)C#N)CC2)C1 1459100221 SSRHHDJMOXSZPH-NWDGAFQWSA-N 308.382 -0.368 30 20 DBED CS(=O)(=O)c1nnc(CN2CC[C@@](O)(CC#N)C2)s1 1473583972 NIDGQADZILZQRO-JTQLQIEISA-N 302.381 -0.208 30 20 DBED C=C(Cl)CN[C@@H](C)CNC(=O)CN1CCS(=O)(=O)CC1 1480590608 PVSFACVJYVZFDZ-NSHDSACASA-N 323.846 -0.436 30 20 DBED C#CCN(CCNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)CCOC 1573282409 IZINVPGOXZOQII-UHFFFAOYSA-N 317.353 -0.494 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)N(C2CNC2)C1 1574834829 GNSITNRCNCQBLM-YPMHNXCESA-N 308.382 -0.854 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C)[C@H](C)C(=O)NCc1cnn[nH]1 1575179096 SLZUPKBOVJAKSY-VHSXEESVSA-N 307.358 -0.983 30 20 DBED C#CC[C@H](NS(=O)(=O)c1cnn(CC(F)F)c1)C(=O)O 1588428624 VKRUJYOLUZPVSH-QMMMGPOBSA-N 307.278 -0.097 30 20 DBED C=CCOCCCNC(=O)C(=O)N1CC[C@@](OC)(C(=O)O)C1 1588867097 XGMDSRBRLAXILO-AWEZNQCLSA-N 314.338 -0.603 30 20 DBED N#Cc1cn(CC(=O)O)c(=O)n(CC(=O)c2ccoc2)c1=O 1594633071 LWCQDHIASQFJBJ-UHFFFAOYSA-N 303.230 -0.558 30 20 DBED CN(C)C[C@](C)(C#N)NC(=O)CN1CCC[C@@H](C(=O)O)C1=O 1598199263 CZBOIPPMAZIIFH-YGRLFVJLSA-N 310.354 -0.730 30 20 DBED CN(CCNC(=O)C#Cc1ccc2c(c1)OCO2)CC(=O)O 1598488768 KKVCXUIOIHRYLJ-UHFFFAOYSA-N 304.302 -0.101 30 20 DBED COC(=O)[C@@H](CCC(=O)O)NC(=O)[C@@H](C)n1cnc(C#N)n1 1598891279 FPOXONXRQQOSHS-HTQZYQBOSA-N 309.282 -0.767 30 20 DBED Cn1c(Cn2cnc(C#N)n2)nnc1N1CCC(C(=O)O)CC1 1600917616 FFZHDROHXIUNMK-UHFFFAOYSA-N 316.325 -0.372 30 20 DBED C=CC[C@@H](CO)NC(=O)C(=O)Nc1cccc(-c2nn[nH]n2)c1 1602816890 WIAVJNLHTNGKKT-NSHDSACASA-N 316.321 -0.142 30 20 DBED C=CCN1CC[C@@H](N(C)[C@H]2CCN(CCC(=O)O)C2=O)C1=O 1602898510 VHUJSUXZMMNUHX-NEPJUHHUSA-N 309.366 -0.219 30 20 DBED COC(=O)c1ccoc1Cn1c(N)nc(C#N)c1-c1nn[nH]n1 1604987234 UIEBYBNIWPTHNE-UHFFFAOYSA-N 314.265 -0.055 30 20 DBED N#Cc1nc(NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)[nH]c1-c1nn[nH]n1 1606355889 VHEJBZBMAIZCTE-PHDIDXHHSA-N 310.281 -0.073 30 20 DBED Cn1ccc(C(=O)N2CCC[C@@H]2CNCC(=O)NCC#N)c1 1714333682 GVKUUHLJHGLYPD-CYBMUJFWSA-N 303.366 -0.141 30 20 DBED C#CCNC(=O)CNC[C@@H]1CCCN(C(=O)CN(C)CCC)C1 1752811336 LIPPOZCPFFDACA-HNNXBMFYSA-N 322.453 -0.094 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC[C@@H](C(=O)NCCNCC#N)C1 1752926621 VCOHNVAYNUPRGD-ZIAGYGMSSA-N 320.393 -0.507 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCCN(C(=O)CCCC(N)=O)C1 1753000530 IKIIOESHXVZCPK-CYBMUJFWSA-N 324.425 -0.133 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCN(C)CC(=O)N(C)CC 1753051791 OIQIAURCXIJMSU-AWEZNQCLSA-N 308.426 -0.390 30 20 DBED C#CCNC(=O)CN(CCCNC(=O)c1cnn(C)c1)C(C)C 1753282035 AORMIRJXIPGADD-UHFFFAOYSA-N 319.409 0.000 30 20 DBED N#CCNC(=O)CN1CC[C@H](CCNC(=O)C2=COCCO2)C1 1753322146 SRIIXLVNVSUWJD-LBPRGKRZSA-N 322.365 -0.657 30 20 DBED C#CCO[C@@H](C)C(=O)NC1CN([C@@H](C)c2nnnn2C2CC2)C1 1753378019 TXLZJAQPAGAOPJ-QWRGUYRKSA-N 318.381 -0.092 30 20 DBED CC(C)[C@@H](CNC(=O)c1ccc(C#N)[nH]1)NCC(=O)NCC#N 1753827527 RIMKGARXRDFQRX-CYBMUJFWSA-N 316.365 -0.130 30 20 DBED C=CCNC(=O)CN[C@H](CNC(=O)c1[nH]nnc1C)C(C)C 1753833672 FIZQZDYCCPPTSD-LLVKDONJSA-N 308.386 -0.241 30 20 DBED Cc1nnsc1CNC[C@H](O)CNC(=O)CSCC#N 1753905288 GMEJSSGYDDLVOO-VIFPVBQESA-N 315.424 -0.330 30 20 DBED C#CCNC(=O)[C@H](C)N1CC(N(C)C(=O)[C@H]2CCCCO2)C1 1754573702 VFZCNKYPPPFLGX-GXTWGEPZSA-N 307.394 -0.164 30 20 DBED CC#CCN1CC[C@@H](N2CCN(C(=O)[C@@H](C)NC(C)=O)CC2)C1 1754661513 GNZMFDQRPPRICB-GDBMZVCRSA-N 320.437 -0.247 30 20 DBED C=C(Cl)CN1CC[C@@](O)(CNC(=O)C(=O)NCC2CC2)C1 1754760936 SKNGFFSUDHDSFN-CQSZACIVSA-N 315.801 -0.182 30 20 DBED C#CCNC[C@H]1CN(C(=O)CCn2cnccc2=O)CCO1 1755012423 KNECERWHEDYKEH-ZDUSSCGKSA-N 304.350 -0.916 30 20 DBED N#Cc1c[nH]c(C(=O)N2CCC[C@](CO)(NCCCO)C2)c1 1755084985 WSKHMRHPQXEZJQ-HNNXBMFYSA-N 306.366 -0.175 30 20 DBED C=CCN1CC(CCO)(NC(=O)[C@@H](C)CS(C)(=O)=O)C1 1755343092 DITHSCSPMOJGAK-NSHDSACASA-N 304.412 -0.594 30 20 DBED C=CCNC[C@H]1C[C@H](NC(=O)[C@H](C)NS(=O)(=O)CC)C1 1755471895 SGFAJMKXSMNYLX-SRVKXCTJSA-N 303.428 -0.015 30 20 DBED C#CCCN[C@H](CO)CNC(=O)c1ccnc2[nH]c(C)nc12 1755634492 GMJDKFAVEVBOPT-NSHDSACASA-N 301.350 -0.030 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H](CO)CNC(=O)C1CCC=CCC1 1755647708 PWWYLZGIOHLZKE-HIFRSBDPSA-N 321.421 -0.063 30 20 DBED C[C@@H]1C[C@H](NCC(=O)NCC#N)CN1C(=O)c1cncnc1O 1755680206 DTQDGRBJNXQRSE-ZJUUUORDSA-N 318.337 -0.985 30 20 DBED C=C(C)CNC[C@@H](O)CN(C)C(=O)[C@H]1CCc2nnnn2CC1 1755788699 YDXMWGRPZPYLHG-QWHCGFSZSA-N 322.413 -0.389 30 20 DBED Cc1ccc(NC(=O)C(=O)N(C)C[C@H](O)CNCC#N)cc1 1755794923 BQDMDGQDJJIEMN-CYBMUJFWSA-N 304.350 -0.134 30 20 DBED C=C[C@](C)(O)CC(=O)N1C[C@H]2C(CNC(=O)CNC(C)=O)[C@@H]2C1 1756188855 VSCBBEOTMMNFEZ-XEZPLFJOSA-N 323.393 -0.730 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1[C@@H]2CN(C(=O)CC(=O)N(C)C)C[C@H]12 1756209161 AUFPBAOMYHMXLR-FIQHERPVSA-N 306.366 -0.555 30 20 DBED C=CCOCC(=O)N[C@H]1CCC[C@H](NC(=O)c2nnn(C)n2)C1 1756228951 OJXSUCSDIRCGHT-QWRGUYRKSA-N 322.369 -0.430 30 20 DBED Cc1nn[nH]c1C(=O)NCCCOCCNC(=O)[C@H](C)C#N 1756401614 MUEXZYGKCKBFJW-SECBINFHSA-N 308.342 -0.475 30 20 DBED C=CCCC(=O)N(C)C1CC(NC(=O)c2nnc(O)nc2O)C1 1756735605 NXOVFRUYRDGPJL-UHFFFAOYSA-N 321.337 -0.032 30 20 DBED C[C@H](NC(N)=O)C(=O)NC1CC(N(C)C(=O)C#CC2CC2)C1 1756739703 JNZOPBBARFAYLR-GCVQQVDUSA-N 306.366 -0.438 30 20 DBED C=CCN(CCNS(=O)(=O)CCCOC)CCC(=O)O 1776179059 KULPTDSFVCZPAG-UHFFFAOYSA-N 308.400 -0.095 30 20 DBED C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)NC(=O)C=C)C2)C1 1779284546 LLOYMBWGDTXVIA-MLGOLLRUSA-N 319.361 -0.860 30 20 DBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnoc3)C2)C1 1839807848 FSCDJSSZUUGYMK-HNNXBMFYSA-N 319.317 -0.622 30 20 DBED N#Cc1ccc(S(=O)(=O)N[C@@H]2CC(=O)N(C3CC3)C2)cn1 175286320 YPNWHZXNBDXAHM-SNVBAGLBSA-N 306.347 -0.005 30 20 DBED C#CCC(C)(C)C(=O)N1CCN(CCS(N)(=O)=O)CC1 186430693 SMZMVZYBAAYOLD-UHFFFAOYSA-N 301.412 -0.531 30 20 DBED C#CCN/C(=N/CC)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 261844467 XAYNQNXRWPVUHN-HNNXBMFYSA-N 305.382 -0.105 30 20 DBED N#CCN1CCN(S(=O)(=O)c2ccc(C(N)=O)cc2)CC1 266024844 PZIXQIXBYRVCDC-UHFFFAOYSA-N 308.363 -0.385 30 20 DBED C#Cc1cccc(NC(=O)CN(C)C(=O)CS(=O)(=O)NC)c1 267727777 WLAFXVSSDJAJSO-UHFFFAOYSA-N 323.374 -0.386 30 20 DBED C[C@H]1CN/C(=N\C[C@@H](O)CS(=O)(=O)c2cccs2)N1 285041311 KKVBAOUNJPLTBY-DTWKUNHWSA-N 303.409 -0.180 30 20 DBED CC(=O)c1ccc(C#N)cc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 302068498 XDEVDCXFWWGBNG-GFCCVEGCSA-N 312.329 -0.092 30 20 DBED CCNC(=NCCNS(=O)(=O)Cc1ccon1)NCC 304775440 CKKAIIJPNUJCTH-UHFFFAOYSA-N 303.388 -0.331 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1CCC[C@H](CO)C1 330407051 XBHRJSKPEHVQKM-LBPRGKRZSA-N 305.400 -0.202 30 20 DBED CCCN(C(=O)Cn1cnc(C#N)n1)[C@H]1CC(=O)N(C)C1=O 330434631 OGRLUUAOTIJJSF-VIFPVBQESA-N 304.310 -0.854 30 20 DBED C[C@H](C[S@](C)=O)N/C(O)=N/CCC(=O)N1CCN(C)CC1 330792185 BUIROABMWBJWAW-FIKIJFGZSA-N 318.443 -0.579 30 20 DBED COC(=O)CSCC/N=C(/O)N1CCS(=O)(=O)C[C@H]1C 330804507 GBGMCFOUISZLRS-SECBINFHSA-N 324.424 -0.075 30 20 DBED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCOC[C@@H](O)C2)CC1 332340969 POESCZHAHOPWOF-GJZGRUSLSA-N 324.425 -0.628 30 20 DBED CCN1CCN(CCNS(=O)(=O)N(CC)CCC#N)CC1 337170861 FMADRLREOYZRSV-UHFFFAOYSA-N 317.459 -0.306 30 20 DBED CN1C(=O)CO[C@@H](C(=O)NCCCC#N)[C@@H]1c1cnn(C)c1 348413907 SPZNFKFAJMGRMP-QWHCGFSZSA-N 305.338 -0.262 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2coc(CC)n2)CC1 491362236 QHINSGWZLUVMKO-UHFFFAOYSA-N 304.350 -0.256 30 20 DBED C#CCNC(=O)CCNC[C@@]1(N2CCOCC2)CCSC1 491733993 OHWUKVLTBVROKH-HNNXBMFYSA-N 311.451 -0.077 30 20 DBED C#CCNC(=O)CN1CCN(C[C@@H](O)CCOC(C)C)CC1 491740353 JVGWNHHDFNQVEP-HNNXBMFYSA-N 311.426 -0.471 30 20 DBED N#C[C@@H]1COCCN1C(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O 517401043 DCVZKHGNXRQOMV-UTUOFQBUSA-N 303.318 -0.311 30 20 DBED COc1cc(C#N)ccc1NC(=O)C(=O)N[C@@H]1CNC(=O)C1 527389671 SINRPXWQYVTUEZ-VIFPVBQESA-N 302.290 -0.490 30 20 DBED O=C(CCn1nc(O)c2ccccc2c1=O)NCC#CCO 554857808 YMJIXFOLOGWYMS-UHFFFAOYSA-N 301.302 -0.396 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@H](C)S(C)(=O)=O 558561440 XMKSJUFSDLUELW-UWVGGRQHSA-N 311.429 -0.265 30 20 DBED CCc1nncn1CCNS(=O)(=O)N(C)C[C@H](C)C#N 558561608 HETMDLWANASYHP-SNVBAGLBSA-N 300.388 -0.234 30 20 DBED CNS(=O)(=O)NC1CCN(C(=O)C2(C#N)CCC2)CC1 560436437 MIOWEZDYQADDGZ-UHFFFAOYSA-N 300.384 -0.275 30 20 DBED CNC(=O)[C@H]1CN(c2ccc(C(=O)OC)nc2C#N)CCO1 564239559 BXGSSQPUZLOQFR-GFCCVEGCSA-N 304.306 -0.309 30 20 DBED C[C@H](NC(=O)Cn1cnc(C#N)cc1=O)C(=O)N1CCCCC1 565833070 KELPMIGQNLNPTR-NSHDSACASA-N 317.349 -0.368 30 20 DBED C[C@H](C#N)CN(C)C(=O)C(=O)N1CCN([C@H]2CCOC2)CC1 595206096 QWFBPWIBBXHXIY-OLZOCXBDSA-N 308.382 -0.462 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCN(C)C[C@H]1CO 601469004 ISCGUWLOMGTIOR-NEPJUHHUSA-N 304.416 -0.679 30 20 DBED C[C@@H]1CCN(C(=O)C(=O)N2CCN(CCC#N)CC2)C[C@@H]1CO 601510416 CTSQXMVYITZBDW-ZIAGYGMSSA-N 322.409 -0.479 30 20 DBED C=CCNS(=O)(=O)c1ccccc1N1C[C@@H](O)[C@H](CO)C1 641629177 WYRYWCHJQGNXIU-WCQYABFASA-N 312.391 -0.060 30 20 DBED C=CCCNC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 661572236 XZGMVLYBLUKRQP-UHFFFAOYSA-N 324.381 -0.725 30 20 DBED C#C[C@H](NC(=O)NC[C@H]1CCS(=O)(=O)C1)[C@H]1CCCO1 773166840 XRBXEOBWLSQGOM-GRYCIOLGSA-N 300.380 -0.099 30 20 DBED C#CCC[C@H](O)CNC(=O)N[C@H]1CCOC[C@@H]1OCCOC 798460959 LBEPVVKTICOUHY-IHRRRGAJSA-N 314.382 -0.120 30 20 DBED CCC(=O)N[C@H](C)C(=O)NS(=O)(=O)c1cncc(C#N)c1 813981430 ARDZPOSGBVVNMY-MRVPVSSYSA-N 310.335 -0.327 30 20 DBED O=C(N[C@@H]1CCCN(O)C1=O)[C@H]1COCCN1CC(F)F 816758990 BVJXNCOLHQEZKT-RKDXNWHRSA-N 307.297 -0.551 30 20 DBED C=CCOC[C@@H](NC(=O)/C=C1/SCC(=O)N1C)C(=O)OC 822622227 CGODTSHYVQQIJH-TZZQWBKVSA-N 314.363 -0.107 30 20 DBED C#CC[C@@H](NS(=O)(=O)N1CCOC(C)(C)C1)C(=O)OC 841540916 OSOOXJUESXWZKO-SNVBAGLBSA-N 304.368 -0.504 30 20 DBED N#C[C@@H](C(=O)Cn1nc2n(c1=O)CCCC2)C(=O)N1CCCC1 845441265 XMWZMJSSPXRJBK-NSHDSACASA-N 317.349 -0.288 30 20 DBED N#Cc1ccc(CNC(=O)[C@@H]2CCCN(S(N)(=O)=O)C2)nc1 854475633 RSQIWUYVXAXQBH-LLVKDONJSA-N 323.378 -0.515 30 20 DBED C#CC[C@@H](CCOC)NC(=O)c1ccnc2c(C(N)=O)cnn12 863784317 JBWFGPYWVVQBGV-JTQLQIEISA-N 315.333 -0.014 30 20 DBED N#C[C@@H]1CNC[C@@H]1NC(=O)[C@@H]1CNC(=O)C[C@@H]1C(F)(F)F 876803227 VOWRKNQGHMVTJF-HXFLIBJXSA-N 304.272 -0.471 30 20 DBED C=CCNC(=O)CNC(=O)c1ccc2c(c1)C(=O)NCCO2 935268506 VHOBHBHXVQBPHQ-UHFFFAOYSA-N 303.318 -0.159 30 20 DBED CC(=O)N1CC(C(=O)N(C)[C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)C1 939394978 BHMRZCSLDGAEBZ-GXFFZTMASA-N 306.366 -0.316 30 20 DBED CO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1NC(=O)Cn1ccnc1C 941871754 WTNRWQGLKBHGII-CYZMBNFOSA-N 319.365 -0.307 30 20 DBED C[C@@H](C#N)C(=O)N1CCCC[C@@H](NC(=O)c2nnn(C)n2)C1 943442355 HPXVMFDRTYRKMA-VHSXEESVSA-N 305.342 -0.519 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H]1CNC(=O)c1ccc(C(N)=O)[nH]1 944251107 KLKQABYZUBROBU-NXEZZACHSA-N 317.349 -0.006 30 20 DBED CO[C@H](C)C(=O)N1CCO[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 944560861 RSOGKLBIWQODHD-ZWNOBZJWSA-N 320.349 -0.122 30 20 DBED Cc1n[nH]cc1C(=O)NC[C@H]1CN(C(=O)[C@H](C)C#N)CCO1 944701517 SSRKMZZXEVVTLG-KOLCDFICSA-N 305.338 -0.165 30 20 DBED C=C1CC(C)(C(=O)N2CC[C@@H]2CNC(=O)[C@H]2CNC(=O)N2)C1 951879594 ZFZCJRXISALPLZ-GHMZBOCLSA-N 306.366 -0.259 30 20 DBED CC(=O)N1CCO[C@@H](C(=O)N(C)C2CN(C(=O)[C@@H](C)C#N)C2)C1 955010234 VANWCHNEIADNMX-GXFFZTMASA-N 322.365 -0.937 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCN(C(=O)C(N)=O)[C@H](C)C2)nn1 955806733 XDNDHBNYQJIJSV-NXEZZACHSA-N 320.353 -0.941 30 20 DBED N#CCN1C[C@H](CNC(=O)c2cccc3nc(O)[nH]c23)[C@@H](O)C1 958146215 ZZPDVXZWJWTFNR-CABZTGNLSA-N 315.333 -0.185 30 20 DBED C#CCCN1C[C@@H](O)[C@H](CNC(=O)c2cc(=O)c(OC)co2)C1 958262087 GQUOPWTVWVLUPS-DGCLKSJQSA-N 320.345 -0.306 30 20 DBED C=C(C)CN1C[C@@H](O)[C@@H](CNC(=O)c2cccnc2C(N)=O)C1 958718200 SWLUWBBVTVAGMR-WCQYABFASA-N 318.377 -0.221 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CN(C(=O)c3ccon3)C[C@@H]2O)c1 962140322 WAVXSODKPJPZPL-NEPJUHHUSA-N 315.289 -0.510 30 20 DBED Cc1nnccc1C(=O)NC[C@H]1COCCN1C(=O)[C@H](C)C#N 964275179 XLFPCINFDQTQFR-PWSUYJOCSA-N 317.349 -0.098 30 20 DBED C=C(Cl)CN[C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 968732053 CKNLXBFRPQVJLN-SECBINFHSA-N 312.761 -0.680 30 20 DBED C[C@@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)[C@@H]1CN(C)C(=O)N1)C2 969811641 OLLGFUYITGZUQR-BJDJZHNGSA-N 319.365 -0.629 30 20 DBED N#CCN1CCO[C@]2(CCN(C(=O)Cc3cncnc3)C2)C1 972363446 ZVJHZGSKYYUWDA-OAHLLOKOSA-N 301.350 -0.154 30 20 DBED N#CCN1CCO[C@]2(CCN(C(=O)C[C@H]3CCNC3=O)C2)C1 972406793 COEOVPUYBXMWEF-IUODEOHRSA-N 306.366 -0.661 30 20 DBED C=CCn1cc(C(=O)N2CC[C@@H](N(C)[C@@H](CC)C(N)=O)C2)nn1 972501653 PZMBMXROAMLJKA-YPMHNXCESA-N 320.397 -0.126 30 20 DBED C[C@@]1(C(=O)N2CC[C@]3(CN(CC#N)CCO3)C2)CCC(=O)NC1 972512927 BKOHSGPKDJKJDQ-CVEARBPZSA-N 320.393 -0.270 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)c3cn(C)c(O)n3)C[C@H]21 974969916 LBMQNLHRUPXTBB-HOSYDEDBSA-N 317.349 -0.042 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)C[C@H]3CCC(=O)N3)[C@H]2C1 976832254 ZJMCQEUSGMNAQM-YBRCUDMCSA-N 304.350 -0.612 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)[C@@H]3CCNC(=O)CC3)[C@H]2C1 976872519 LKUVUHCDJXZZJV-ZXPJVPCYSA-N 318.377 -0.365 30 20 DBED CN(C)c1ccc(C(=O)NC[C@H]2[C@@H]3CN(CC#N)C[C@H]23)nn1 978971436 IBERTOSEMLDGPM-CNDDSTCGSA-N 300.366 -0.026 30 20 DBED C#CCN1C[C@@H]2CC[C@H](NC(=O)CN3CCOCC3=O)C[C@H]2C1 979798876 VZDMPRQCBJWFSV-KKUMJFAQSA-N 319.405 -0.305 30 20 DBED CN(CC#N)C1CCN(C(=O)[C@@H]2Cc3cncn3C(=O)N2)CC1 985550937 WGWWZNUFJMYPNY-ZDUSSCGKSA-N 316.365 -0.188 30 20 DBED C#Cc1ccc(C(=O)N2CC(NC(=O)c3ncn(C)n3)C2)nc1 991172957 QQROOVDEWAMRLZ-UHFFFAOYSA-N 310.317 -0.554 30 20 DBED C#Cc1ccc(C(=O)N2CC(NC(=O)c3cncnc3O)C2)nc1 994428594 CSMPIEAQCZXXKZ-UHFFFAOYSA-N 323.312 -0.187 30 20 DBED C=CCn1cc(C(=O)N2CC(CNC(=O)[C@@H]3CCCO3)C2)nn1 1000831543 XDRQXQDQURMOHZ-ZDUSSCGKSA-N 319.365 -0.169 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC(CNC(=O)[C@H]3COC(=O)N3)C2)c1 1001668722 HUOWJWCVIFTDRF-LLVKDONJSA-N 317.305 -0.817 30 20 DBED C=CCN[C@H]1CCN(C(=O)CN2CCCCS2(=O)=O)C1 1019154017 WHIWNVNMQDAMAS-LBPRGKRZSA-N 301.412 -0.212 30 20 DBED Cn1c(C(=O)N2CC[C@H](NCC#N)C2)c2n(c1=O)CCCC2 1019383600 IUSHRSIIFPESHH-NSHDSACASA-N 303.366 -0.149 30 20 DBED C#CCN1CC[C@H]2[C@H](CCCN2C(=O)Cn2ncn(C)c2=O)C1 1021618005 BKTBXZFSEWFXRH-KGLIPLIRSA-N 317.393 -0.472 30 20 DBED CC1(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)CC1 1023467346 FVUDHNSUSQCISG-VXGBXAGGSA-N 302.334 -0.012 30 20 DBED C=CCN1CCC[C@@H](CNC(=O)C2CC3(C2)NC(=O)NC3=O)C1 1023641431 YVQOJMCVTOMRJM-FZWSLVFFSA-N 320.393 -0.011 30 20 DBED C=C[C@](C)(CC)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnn[nH]2)C1 1024547939 KVVHDNSTDJQFTE-JTNHKYCSSA-N 307.354 -0.292 30 20 DBED Cc1n[nH]c(C)c1C(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1025091657 PVWNQLRXECNOHJ-CHWSQXEVSA-N 316.361 -0.259 30 20 DBED Cc1cc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2O)ccn1 1025233673 GAIALKHSSQXJTK-OASPWFOLSA-N 302.334 -0.149 30 20 DBED C#CCN[C@@H]1CC[C@@H]2CN(C(=O)c3cn(CCOC)nn3)C[C@@H]21 1026263481 IRKBYZQRJUBUMJ-HZSPNIEDSA-N 317.393 -0.002 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN([C@H](C)c2nncn2C)C1 1030464428 SLPZFHZHDWYKNE-OCCSQVGLSA-N 316.409 -0.226 30 20 DBED CC#CCN1C[C@@H]2C[C@H]1CN2C(=O)CCc1nnc(O)nc1O 1032495283 KOWHBUFSPTZYMJ-QWRGUYRKSA-N 317.349 -0.476 30 20 DBED N#CCN1C[C@@H]2C[C@H]1CN2C(=O)COc1cccc(C(N)=O)c1 1032799590 DQGLEPXDXLTDJP-STQMWFEESA-N 314.345 -0.027 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)c2cn(C)c(=O)n(C)c2=O)C1 1033472134 FSSGBAOEUQDQKS-NSHDSACASA-N 306.366 -0.584 30 20 DBED N#CCN1CCO[C@@H](CNC(=O)[C@@H]2CCc3cncn3C2)C1 1035419676 RMDRGKDWVYQGGR-OCCSQVGLSA-N 303.366 -0.214 30 20 DBED C#CCN1CCO[C@H](CNC(=O)[C@H]2CCCCN(C)C2=O)C1 1035577278 NNTWOURPSXISEY-ZIAGYGMSSA-N 307.394 -0.305 30 20 DBED CC(C)C#CC(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2CCC(=O)N2)C1 1039665330 JFDAHUNFQHMSNI-BLLLJJGKSA-N 321.377 -0.996 30 20 DBED CC(C)(O)CC(=O)N1CC[C@@](O)(CNC(=O)C#CC2CC2)C1 1039680906 PVPJBJPPYHXIJI-MRXNPFEDSA-N 308.378 -0.360 30 20 DBED C#CCCCC(=O)N1CC[C@@](O)(CNC(=O)[C@H](C)OCC#C)C1 1039722182 SOJIGBVWQQXKMJ-WMLDXEAASA-N 320.389 -0.092 30 20 DBED C[C@H]1[C@@H](N=c2cc[nH]c(C#N)n2)CCN1C(=O)[C@H]1COC(=O)N1 1040114377 YNXGIQZBZQIURL-LPEHRKFASA-N 316.321 -0.720 30 20 DBED Cc1ccnc(N2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)n1 1040956100 CLONGJDNAUWWSR-CHWSQXEVSA-N 312.333 -0.036 30 20 DBED N#Cc1cncc(N[C@@H]2C[C@H]3CC[C@H]2N(C(=O)C(N)=O)C3)n1 1041679617 VDNCAJPDONWEBT-FBIMIBRVSA-N 300.322 -0.375 30 20 DBED C#CCN1CC[C@H]2CCN(C(=O)CN3CCN(C)C(=O)C3)C[C@@H]21 1042121039 DEGOEZBQYLVBSN-GJZGRUSLSA-N 318.421 -0.684 30 20 DBED CN(C(=O)c1cc(C#N)c[nH]1)C1CN([C@@H]2CCCNC2=O)C1 1042589699 MJXMMJJHESTSQQ-CYBMUJFWSA-N 301.350 -0.079 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)C2=CCOCC2)C1 1042716185 IFBMOCLTABLIRN-UHFFFAOYSA-N 306.362 -0.174 30 20 DBED C[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2)C[C@H]1Nc1cnc(C#N)cn1 1043099513 SZLDZCNBDRDJBF-YUSALJHKSA-N 314.349 -0.114 30 20 DBED C[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1Nc1ccc(C#N)nn1 1043446431 CUBYLNMYYJPNJH-PSASIEDQSA-N 313.325 -0.556 30 20 DBED C=C1CCC(C(=O)N2CC(O)(CNC(=O)c3cnn[nH]3)C2)CC1 1043808113 NYHNIBRTQQHRMK-UHFFFAOYSA-N 319.365 -0.146 30 20 DBED N#Cc1cnc(N2C[C@H](O)[C@H](NC(=O)Cc3ccco3)C2)cn1 1044129569 FUCFBDHWOXVPLE-OLZOCXBDSA-N 313.317 -0.150 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)CCCC#CC)C1 1044998619 IDWKUHMMIFGJRT-UHFFFAOYSA-N 320.389 -0.091 30 20 DBED Cc1ccncc1C(=O)N1CC(O)(CNC(=O)[C@H](C)C#N)C1 1045541077 QHZZGQYREOJVOJ-LLVKDONJSA-N 302.334 -0.147 30 20 DBED Cc1noc(CCC(=O)N2CC(O)(CNC(=O)[C@@H](C)C#N)C2)n1 1045559819 QCFCJDNRWSHYRB-VIFPVBQESA-N 321.337 -0.840 30 20 DBED C=CCN1CC[C@@H](N2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)C1 1046063651 TVEBITNKCNWOCF-MCIONIFRSA-N 306.410 -0.488 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cn(C)nc2OC)C1 1047483459 MAUMDEAXSVKMAG-STQMWFEESA-N 306.366 -0.431 30 20 DBED C#CCCN1C[C@H]2CN(C(=O)[C@@H](C)N3C(=O)CCC3=O)C[C@H]2C1 1048847501 GOEOHRDQSXHEMQ-MCIONIFRSA-N 317.389 -0.063 30 20 DBED CCc1nc(C#N)cc(N2CC[C@H](NC(=O)C(N)=O)[C@H]2CC)n1 1048956563 VROYZDUXJATTQN-WDEREUQCSA-N 316.365 -0.131 30 20 DBED C[C@@H](NC(=O)CCNC(N)=O)[C@H]1CCN(C(=O)C#CC2CC2)C1 1050674301 YSAZFLBXJCJTNJ-YPMHNXCESA-N 320.393 -0.189 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H]1COCCN1CCOC 1050962064 DTUJBCLKDURGTD-GJZGRUSLSA-N 309.410 -0.453 30 20 DBED C#CCCN1CCOC[C@@H]1CNC(=O)c1ccoc1CC(N)=O 1051083872 KOGCCSZBNDZKKK-LBPRGKRZSA-N 319.361 -0.239 30 20 DBED C=CCOCC(=O)N1C[C@@H](C)[C@@H](CNC(=O)c2nnn(C)n2)C1 1052214421 KUHBVLPPYZVZGT-MNOVXSKESA-N 322.369 -0.763 30 20 DBED Cc1nc(CN2CC3(C2)CN(C(=O)[C@@H](C)C#N)CCO3)n[nH]1 1053191911 VMRXJMRMHXTCEF-JTQLQIEISA-N 304.354 -0.314 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCOC2(CN(C[C@@H](C)O)C2)C1 1053291517 VCPZWMSGUBZJPP-CABCVRRESA-N 321.421 -0.622 30 20 DBED N#CCN1CC2(C1)CN(C(=O)[C@H]1CCc3nncn3C1)CCO2 1053541443 YSWFGEUBQMBLHI-LBPRGKRZSA-N 316.365 -0.723 30 20 DBED C=C(Cl)CN1CC2(C[C@H](NC(=O)[C@H]3COC(=O)N3)CO2)C1 1053790770 BNWNMRHUMXURAI-VHSXEESVSA-N 315.757 -0.193 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)[C@H]3COCCN3CC)CO2)C1 1053853236 ZVUOMUPGJZSXLH-HUUCEWRRSA-N 321.421 -0.310 30 20 DBED C#CCN1CC[C@@]2(CCCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C2)C1 1054206288 HBTYRDHTSPGPRZ-LRDDRELGSA-N 318.377 -0.468 30 20 DBED N#Cc1nccnc1N1CCN(C(=O)[C@H]2COCCO2)CC1 1055727881 LZXFTUMAGFRDOH-GFCCVEGCSA-N 303.322 -0.588 30 20 DBED CN1C[C@@H](C(=O)N2CCN(c3ccc(C#N)nn3)CC2)NC1=O 1055974849 QFPGXQQHSPUOHH-NSHDSACASA-N 315.337 -0.980 30 20 DBED N#Cc1ccc(N2C[C@H]3[C@H](NC(=O)Cn4cnnn4)[C@H]3C2)cn1 1056127827 FEGJGOCJBXMSAY-IMRBUKKESA-N 310.321 -0.809 30 20 DBED CN1CC[C@H](C(=O)NC2[C@H]3CN(c4ccnc(C#N)n4)C[C@H]23)C1 1056229501 XZBMWCNTXOJIAJ-SRVKXCTJSA-N 312.377 -0.149 30 20 DBED C=C[C@](C)(O)CC(=O)NCCN(CCO)C(=O)[C@H](F)CC 1058380794 OHCAJAVNQXNESE-RISCZKNCSA-N 304.362 -0.001 30 20 DBED C=C[C@@H](CC)CC(=O)N(CCO)CCNC(=O)CNC(C)=O 1058465967 CSYZRAGBBAJJCW-ZDUSSCGKSA-N 313.398 -0.338 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)[C@@]1(C)CCCOC1 1058589213 XJLKBEYTVGHIDY-DOMZBBRYSA-N 311.382 -0.100 30 20 DBED Cc1c(CC(=O)NCCN(CCO)C(=O)[C@H](C)C#N)cnn1C 1058656752 KBCPSCJNKNGTDJ-LLVKDONJSA-N 321.381 -0.632 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](CCNC(=O)[C@@H](C)C#N)C1 1059501822 DIPCEEQRGGXKFD-STQMWFEESA-N 318.377 -0.360 30 20 DBED Cc1cc(C#N)nc(N[C@@H]2CC[C@@H]3CN(C(=O)C(N)=O)C[C@H]32)n1 1060552389 DYFVJLDCVAIJET-YUSALJHKSA-N 314.349 -0.209 30 20 DBED CCC(=O)NCC(=O)N1CCOC[C@H]1CNC(=O)[C@H](C)C#N 1061846191 NRVCBJZWRQLNHF-GHMZBOCLSA-N 310.354 -0.984 30 20 DBED CC(C)C#CC(=O)NCC1(NC(=O)[C@@H]2COC(=O)N2)CCC1 1062956377 GWMSNQZFOWHGSN-NSHDSACASA-N 307.350 -0.091 30 20 DBED C#CCO[C@H](C)C(=O)NC1(CNC(=O)CNC(=O)NC)CCC1 1063334199 XYAJUFSVXPFGPR-LLVKDONJSA-N 324.381 -0.891 30 20 DBED C=CCOCC(=O)N1CCO[C@@H](CNC(=O)c2c[nH]nc2C)C1 1064973621 ALPNOFYVSMZUDD-LBPRGKRZSA-N 322.365 -0.122 30 20 DBED C=C(C)C(C)(C)C(=O)NC[C@H]1CN(C(=O)CC(N)=O)CCO1 1065001007 KRLDIIFMNCJPOV-NSHDSACASA-N 311.382 -0.192 30 20 DBED CN1CC[C@@H](C(=O)N2CCO[C@@H](CNC(=O)C#CC3CC3)C2)C1 1065168721 DVWQDWRZIVNZJG-CABCVRRESA-N 319.405 -0.305 30 20 DBED C[C@]1(NC(=O)[C@H]2COCCO2)CCN(c2cncc(C#N)n2)C1 1065210557 NWJGPOVFXQPORN-DOMZBBRYSA-N 317.349 -0.151 30 20 DBED N#Cc1nccc(N2C[C@H]3CN(C(=O)c4cnn[nH]4)C[C@H]3C2)n1 1066085536 YSXPZRFTDLOLEC-AOOOYVTPSA-N 310.321 -0.325 30 20 DBED N#Cc1cnc(N2CCOC[C@H]2CNC(=O)c2cn[nH]c2)cn1 1066465718 HFSRCFWINWTUIM-GFCCVEGCSA-N 313.321 -0.293 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CCCN(C(=O)Cn2cncn2)CC1 1066481720 RHUXCSWASARLLU-RYUDHWBXSA-N 304.354 -0.065 30 20 DBED Cc1nc(N[C@@H](C)[C@H]2CN(C(=O)C(N)=O)CCO2)ccc1C#N 1068244385 VKXGZIXCENNECC-CMPLNLGQSA-N 317.349 -0.225 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC2(CN(C(C)=O)CCO2)C1 1068263651 WAXIJIZIWAQGAD-CQSZACIVSA-N 323.393 -0.083 30 20 DBED C[C@H]1[C@H](N=c2cc[nH]c(C#N)n2)CCN1C(=O)c1ncn(C)n1 1068828160 AXIWUXJPCHFTGC-VHSXEESVSA-N 312.337 -0.386 30 20 DBED C=CCN[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2)C[C@@H]1n1ccnn1 1070158304 FDRAGWKUHPSHEV-UTUOFQBUSA-N 304.354 -0.916 30 20 DBED CCn1nncc1C(=O)N1C[C@H](n2ccnn2)[C@H](NCC#N)C1 1070190971 RMYMGOODRSFKDW-PWSUYJOCSA-N 315.341 -0.932 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2cnn3cc[nH]c23)C[C@@H]1n1ccnn1 1070316805 YMWFNYGXVLBALZ-OLZOCXBDSA-N 324.348 -0.458 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@@H](NC(=O)[C@@H]2CCCO2)C1 1070636433 XBXFUQQXVYWJPC-OLZOCXBDSA-N 321.377 -0.588 30 20 DBED C=CCN1C[C@H]2C[C@@H]3CN(C(=O)Cn4cnnc4O)C[C@@]3(C1)O2 1070785320 QUYZOSCCBJNURH-LALPHHSUSA-N 319.365 -0.529 30 20 DBED CC(C)(C(N)=O)C(=O)N1C[C@@H]2C[C@@H]3CN(CC#N)C[C@]2(C1)O3 1070813023 FZRGHFLEQDHCAD-FIXISWKDSA-N 306.366 -0.677 30 20 DBED CC[C@H](C(=O)N1CCC(=O)NCCN(CC#N)CC1)N(C)C 1070973158 DMNCUANHPVSRFS-CYBMUJFWSA-N 309.414 -0.499 30 20 DBED C#CCOCCC(=O)N1C[C@H](C)[C@H](NC(=O)Cn2cncn2)C1 1072097333 LUEOKBWOCIJUBY-QWHCGFSZSA-N 319.365 -0.719 30 20 DBED C#CCN1CCC2(C1)CN(C(=O)C[C@@H]1CCS(=O)(=O)C1)C2 1072903291 XMNVOFXKVYCHJF-ZDUSSCGKSA-N 310.419 -0.021 30 20 DBED C=CCCN1CCC2(C1)CN(C(=O)[C@@H]1CC(=O)NC(=O)N1)C2 1073020280 RFAOCDJHJCRPFJ-NSHDSACASA-N 306.366 -0.305 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)c3cn(C)nc3OC)C[C@@H]21 1074315180 RRQMQTNNVIRCLC-KBPBESRZSA-N 318.377 -0.023 30 20 DBED C=CCN1CCO[C@H]2CCN(C(=O)c3ccc(=O)n(C)n3)C[C@@H]21 1074399461 FJOXCCJUHUWJJR-KBPBESRZSA-N 318.377 -0.118 30 20 DBED N#CCN1C[C@@H]2CCN(C(=O)[C@H]3CCCN(C(N)=O)C3)[C@@H]2C1 1076009115 WQHAAFRKPQEJHD-RWMBFGLXSA-N 305.382 -0.167 30 20 DBED CC(C)C#CC(=O)NCC[C@H](C)NC(=O)Cn1ncn(C)c1=O 1076410425 MBTCDZUSFSFVBD-LBPRGKRZSA-N 321.381 -0.748 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2c(C(F)(F)F)cnn2C)C1 1078104532 KOMLAVIYIIPPIK-NXEZZACHSA-N 316.283 -0.153 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)c2cc(N(C)C)ccn2)C1 1078263342 MNAUHANIUUEUNX-HUUCEWRRSA-N 302.378 -0.054 30 20 DBED C=CCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)Cn2nccn2)C1 1079981425 QVXPEDLQUANRNW-LBPRGKRZSA-N 321.381 -0.072 30 20 DBED C#CCN1C[C@@H](NC(=O)c2ccc(=O)n(CCOC)n2)[C@H](C)C1 1080084718 KLMKTCVDINAHGC-TZMCWYRMSA-N 318.377 -0.427 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CO)(NC(=O)Cc2ccon2)CC1 1080786167 ZNCSSQAJJPNISX-LLVKDONJSA-N 320.349 -0.154 30 20 DBED CC#CCN1C[C@@H](NC(=O)[C@H]2COCCN2C(C)=O)[C@H](C)C1 1080968729 NPAXVZBMUIVOAA-BPLDGKMQSA-N 307.394 -0.307 30 20 DBED C[C@@H](C#N)C(=O)NC1(CO)CCN(C(=O)c2cnccn2)CC1 1080982174 VHJZUIITPRKCAO-NSHDSACASA-N 317.349 -0.280 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2ncn(C)n2)C1 1081456460 ZPHCCSOJERCPKN-GHMZBOCLSA-N 307.354 -0.670 30 20 DBED CO[C@@H]1CN([C@@H](C)C(N)=O)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 1081563436 PEONICGCDGUMRX-XXILOJSOSA-N 305.338 -0.811 30 20 DBED CC#CCN1C[C@@H](NC(=O)c2cccn3nnnc23)[C@H](OC)C1 1081734144 MUNMZUXDOKXIPE-CHWSQXEVSA-N 314.349 -0.423 30 20 DBED CC#CCN1C[C@@H](NC(=O)[C@H]2CCN(C)C(=O)C2)[C@H](OC)C1 1081865103 XAMSKONVVCRDHE-BFHYXJOUSA-N 307.394 -0.307 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@]1(C)CCCS1(=O)=O 1082224415 IHZKAGZRMDJIOA-WZRBSPASSA-N 315.395 -0.707 30 20 DBED COc1cc(C(=O)N2CCO[C@@H]3CN(CC#N)C[C@@H]32)ncn1 1083083291 NGQUWOIMYJYLIC-NWDGAFQWSA-N 303.322 -0.466 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H](C)N1CCCCC1=O 1083282822 VELFAZRPTGQZFI-QLFBSQMISA-N 319.405 -0.068 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2cnn3c(C)cc(C)nc23)C1 1083690736 IQDCDHKXRPLCSM-KGLIPLIRSA-N 313.361 -0.246 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)c2cnn(CCOC)c2)C1 1084004542 QPEAIEZENRJUSA-KGLIPLIRSA-N 308.382 -0.120 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCCN2C(N)=O)C1 1084120073 ITMMYCUWFFPEGD-VWYCJHECSA-N 316.789 -0.557 30 20 DBED CC#CCN1CC[C@H](NC(=O)CN2C(=O)CNC2=O)[C@H]1CC 1087821761 BNRAJWZVTYOAOU-NWDGAFQWSA-N 306.366 -0.469 30 20 DBED C#CCCN1CC[C@@H]2CN(C(=O)Cn3cnnc3O)C[C@@H]2C1 1087941499 FPPUSYSIEHYYDB-OLZOCXBDSA-N 303.366 -0.213 30 20 DBED CC[C@@H](C)OCC(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1O 1090409436 LRHQKHYFOJDIKQ-IJLUTSLNSA-N 319.365 -0.171 30 20 DBED CO[C@@H](C(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1O)C1CC1 1090412580 BHWWVECPPPELMY-YRGRVCCFSA-N 317.349 -0.561 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2cc(=O)c(OC)co2)[C@H](O)C1 1090432529 LIBKQBKEAGUZJR-DGCLKSJQSA-N 320.345 -0.163 30 20 DBED CCNC(=O)CC(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@@H]1O 1091095044 ABRJHMVCLFXXAU-NEPJUHHUSA-N 317.349 -0.855 30 20 DBED COCC(C)(C)C(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1091162387 UBVCNJFTZMRNSW-NEPJUHHUSA-N 319.365 -0.313 30 20 DBED C=CCCN1CC(N2C[C@@H](NC(=O)c3nonc3C)CC2=O)C1 1094820037 CRIUMHQYYUOCRI-NSHDSACASA-N 319.365 -0.031 30 20 DBED CN(c1ccc(C#N)nn1)[C@H]1CCN(C(=O)CCNC(N)=O)C1 1095117007 JZZAZDVDWYFFLP-NSHDSACASA-N 317.353 -0.556 30 20 DBED C#CCNC(=O)CC(=O)NCCCN(C)c1cc(F)ncn1 1095523850 VAAYUOYMZWZCAX-UHFFFAOYSA-N 307.329 -0.302 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CCCN(c2cncc(C#N)n2)C1 1096162904 TWZXQVJFSUGXLK-SNVBAGLBSA-N 302.338 -0.431 30 20 DBED CNC(=O)NCCC(=O)N[C@@H]1CCN(c2nccnc2C#N)C1 1096367532 OWKWROJWKFKQPM-SNVBAGLBSA-N 317.353 -0.638 30 20 DBED Cc1cc(C#N)nc(N2CC[C@H](NC(=O)[C@@H](C)CC(N)=O)C2)n1 1096459240 ZXXPKTKEYKIXDY-ONGXEEELSA-N 316.365 -0.137 30 20 DBED CNC(=O)NCCC(=O)N[C@H]1C[C@@H](Nc2nccnc2C#N)C1 1097180043 QEZOMROJNSYKFT-AOOOYVTPSA-N 317.353 -0.274 30 20 DBED C[C@H](CNC(=O)c1nnn(C)n1)Nc1ncc(C#N)cc1F 1098199893 JPZTZAKCGPGWDE-SSDOTTSWSA-N 304.289 -0.154 30 20 DBED C#CCN1C[C@@H]2[C@@H]3CC[C@@H](CN3C(=O)CCNC(N)=O)[C@H]2C1 1099552318 LEAHRVIQTFTSSA-CRWXNKLISA-N 304.394 -0.153 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)CC(=O)NCC)[C@H](O)C1 1099796854 KAMMFJNFAYPEHV-QWHCGFSZSA-N 313.398 -0.733 30 20 DBED CC#CCN1CC[C@H](NC(=O)CNC(=O)N2CCCC2)[C@H](O)C1 1099833526 XHJBYQSFIMVUHG-UONOGXRCSA-N 322.409 -0.634 30 20 DBED Cc1nccc(CCC(=O)N[C@H]2CCN(CC#N)C[C@@H]2O)n1 1099931243 POLCVSWAPHQORK-KBPBESRZSA-N 303.366 -0.207 30 20 DBED C=CCCN1CC[C@H](NC(=O)CS(=O)(=O)C(C)C)[C@H](O)C1 1100116365 WRTVXWBSAPYPRW-QWHCGFSZSA-N 318.439 -0.063 30 20 DBED C=CCNC(=O)[C@H](C)NC1CC(CNC(=O)c2cnn[nH]2)C1 1100475188 GQJQVCJDNCTTNR-WHXUTIOJSA-N 306.370 -0.407 30 20 DBED N#Cc1ccc(N2CCC[C@H]2CNC(=O)Cn2ncnn2)nc1 1100867683 CJBGKTBOHGLLGH-LBPRGKRZSA-N 312.337 -0.275 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)CC(N)=O)c3nccn32)C1 1101620523 MKAURKRYPXHKED-NSHDSACASA-N 301.350 -0.646 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN([C@@H]2CCN(C)C2=O)C[C@H]1C 1101960710 JQPTWLVWFGXWNU-RBSFLKMASA-N 321.421 -0.059 30 20 DBED CN(C(=O)CNC(N)=O)[C@@H]1CCN(c2ccncc2C#N)C1 1102668050 CNORMGSVLKZFFZ-LLVKDONJSA-N 302.338 -0.341 30 20 DBED C[C@H](NS(C)(=O)=O)C(=O)NCC[C@@H]1CN(CC#N)C[C@H]1C 1103471038 SITQSSGQTHIEIN-GRYCIOLGSA-N 316.427 -0.478 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)CO[C@H]1CCOC1 1104098997 GMHJOXRQCHVUKA-NEPJUHHUSA-N 319.365 -0.260 30 20 DBED C=CCCC(=O)N1CC(n2cc(CN[C@@H](C)C(=O)NC)nn2)C1 1105183523 SUHPXUMSRQLZKM-NSHDSACASA-N 320.397 -0.148 30 20 DBED Cn1cc(C(=O)NC[C@@H](O)CNc2cncc(C#N)n2)cn1 1105715934 FBGVGMBLWMMWAP-NSHDSACASA-N 301.310 -0.715 30 20 DBED N#Cc1cncc(NC[C@H](O)CNC(=O)C[C@H]2CCOC2)n1 1105759576 PBKPEKXQFHDLBJ-PWSUYJOCSA-N 305.338 -0.336 30 20 DBED COCc1nc(NC[C@H](O)CNC(=O)[C@@H](C)C#N)cc(OC)n1 1105774420 RVERASMECZJQGK-UWVGGRQHSA-N 323.353 -0.320 30 20 DBED N#Cc1nc(=NC[C@@H](O)CNC(=O)[C@H]2CCCCO2)cc[nH]1 1105820192 SVTQIVSWCALWTO-GHMZBOCLSA-N 305.338 -0.772 30 20 DBED CCOCCOCC(=O)NC[C@@H](O)CNc1cncc(C#N)n1 1105872840 ZXPHCTXLDBROER-LBPRGKRZSA-N 323.353 -0.710 30 20 DBED N#Cc1nc(=NC[C@H](O)CNC(=O)c2csc(O)n2)cc[nH]1 1106067112 QOBYKAMIFCLZJJ-ZETCQYMHSA-N 320.334 -0.865 30 20 DBED C#CCCN1CCO[C@](C)(CNC(=O)c2cc(=O)n(C)cn2)C1 1108005299 PAOYFJAXKZAGOA-MRXNPFEDSA-N 318.377 -0.376 30 20 DBED C[C@H](CNc1cncc(C#N)n1)NC(=O)[C@H]1CN(C)C(=O)N1 1108041121 DAXOMDQZLDLPPI-PSASIEDQSA-N 303.326 -0.712 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)[C@H]1CC(=O)N(C)C1 1108178195 QOWQCKXMGNLSKK-ZJUUUORDSA-N 302.338 -0.835 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)CS(=O)(=O)C(C)C)C1 1108404558 DFHBBOVPQIGQTA-AWEZNQCLSA-N 316.423 -0.350 30 20 DBED CNC(=O)NC(C)(C)C(=O)N[C@@H](C)CNc1ccc(C#N)nn1 1108405403 ABJUFCJIEKHJHQ-VIFPVBQESA-N 319.369 -0.028 30 20 DBED C[C@@H](CNc1cnc(C#N)cn1)NC(=O)[C@H](C)N1CCOCC1 1108434993 FESBSLPGFIJXCZ-RYUDHWBXSA-N 318.381 -0.014 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)c2cc(C(N)=O)ccn2)C1 1108449526 ZMJUYSDFKZMKAJ-MRXNPFEDSA-N 316.361 -0.366 30 20 DBED C[C@@H](CNc1cncc(C#N)n1)NC(=O)[C@@H]1CCCNC1=O 1108570534 PIMMIIWPQODGTM-GXSJLCMTSA-N 302.338 -0.209 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H](NC(=O)[C@H]1CCC(=O)N1)C1CC1 1109794104 QZJHINCYQWLALR-KGLIPLIRSA-N 313.361 -0.040 30 20 DBED N#Cc1ccc(NC2(CNC(=O)[C@H]3C[C@H]3C(N)=O)CC2)nn1 1110347101 CIBGXDGOAQHSFS-ZJUUUORDSA-N 300.322 -0.470 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NC(N)=O 1110496123 VQAFQCNVIFKORO-OZWUEAAUSA-N 324.381 -0.770 30 20 DBED CC(=O)NCC(=O)NC[C@]1(O)CCN(c2ncccc2C#N)C1 1111037388 AKHXSGAUPWEIEG-OAHLLOKOSA-N 317.349 -0.853 30 20 DBED CN(CCCN(C)c1ccc(C#N)nn1)C(=O)[C@@H]1CCC(=O)N1 1112105631 WWMAWQCZHJOORR-LBPRGKRZSA-N 316.365 -0.088 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)CO[C@H]2CCOC2)CC1 1112845244 ZQYHYCOVCISSDN-ZDUSSCGKSA-N 311.382 -0.762 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCN(C[C@@H]2CCc3ncnn32)CC1 1112846276 KHJXTUDLSFXTOX-KBPBESRZSA-N 317.393 -0.052 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 1112964916 CIECCJBAWAKLQO-DZGCQCFKSA-N 320.437 -0.391 30 20 DBED COCC#CCN1CCN(C(=O)c2ncc(OC)cn2)CC1 1113085902 MUIICADHFRITSF-UHFFFAOYSA-N 304.350 -0.107 30 20 DBED C=C(C)CN(CC)C(=O)[C@@H](C)N1CCN(C(=O)C(N)=O)CC1 1113279662 AUSWVXAQBNPTET-GFCCVEGCSA-N 310.398 -0.571 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)c3ccnn3C)[C@@H]2C1 1113983517 QNVOICKKINPZON-GHMZBOCLSA-N 303.366 -0.618 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3ccnc(O)c3)[C@H]2C1 1114131253 YYUXIYCRQWTSGT-RYUDHWBXSA-N 314.345 -0.803 30 20 DBED C#CCOCCC(=O)N[C@H]1[C@@H]2CN([C@@H](C)C(=O)NCC=C)C[C@@H]21 1114262608 GZHLJQIGTPZPRR-TTZDDIAXSA-N 319.405 -0.237 30 20 DBED C#CCOCCC(=O)N[C@H]1[C@@H]2CN(CCOCCOC)C[C@@H]21 1114266815 XJTKKBCWIGUXRE-FOLVSLTJSA-N 310.394 -0.264 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)[C@@H](C)NC(=O)CC)[C@@H]2C1 1114321270 JRVQKJVHVTUCDC-IJLUTSLNSA-N 322.409 -0.750 30 20 DBED C[C@H](C#N)C(=O)NCC1[C@@H]2CN(c3ccc4nnnn4n3)C[C@@H]12 1114525243 JAAHXHJHISSKLF-MIMYLULJSA-N 312.337 -0.523 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)c3cc(OC)n(C)n3)[C@H]2C1 1114543443 WGJWGYRSRMKONY-JYAVWHMHSA-N 318.377 -0.262 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)C3(CCF)CC3)[C@@H]2C1 1114613896 TYDWZADHJSQHCO-VXGBXAGGSA-N 307.369 -0.078 30 20 DBED C[C@H](CCCNc1nccnc1C#N)NC(=O)CNC(N)=O 1114836972 SASMSORSILVTAY-SECBINFHSA-N 305.342 -0.287 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)COCCC=C)[C@H]2C1 1115324278 NSINPLGHAIIZHH-STQMWFEESA-N 305.378 -0.625 30 20 DBED CO[C@]1(CNC(=O)CCN/C(O)=C2/N=CC=CC2=O)CCOC1 1116601099 ZFBKTEGGMUPVNC-PLFFATQSSA-N 323.349 -0.175 30 20 DBED C#CCSCCNC(=O)C(=O)N1CC(OCCOC)C1 1117462128 UFPXTRJFYNYYDP-UHFFFAOYSA-N 300.380 -0.657 30 20 DBED C=CCn1cc(CNC(=O)C(=O)NCC2CCNCC2)nn1 1118149067 WNFOMUKYEUHMKN-UHFFFAOYSA-N 306.370 -0.804 30 20 DBED C[C@H](NC(=O)C(=O)N1CC[C@@](O)(CC#N)C1)[C@@H]1CCCOC1 1118222811 GOYRDAAJKOOGME-ZOWXZIJZSA-N 309.366 -0.205 30 20 DBED C[C@@H]1C(=O)N(C)CCN1C(=O)C(=O)N1CCC[C@H](CC#N)C1 1118508536 FGOVVKNGTCCLIL-VXGBXAGGSA-N 306.366 -0.172 30 20 DBED CCO[C@H](CC)C(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1 1121166028 VSSBAFMPVZETLF-WDEREUQCSA-N 307.354 -0.526 30 20 DBED C[C@@H](C(=O)NC[C@@H](CO)Nc1cnc(C#N)cn1)n1cncn1 1121345784 FTJPATRTIFJAEQ-ONGXEEELSA-N 316.325 -0.910 30 20 DBED COCC(C)(C)C(=O)NC[C@@H](CO)N=c1cc[nH]cc1C#N 1122230069 PCUHEAKNBXJAAL-LBPRGKRZSA-N 306.366 -0.063 30 20 DBED N#Cc1nccnc1N[C@H](CO)CNC(=O)COCC(F)F 1122256162 SCZJNZYDGGFOHX-QMMMGPOBSA-N 315.280 -0.481 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H]1CC[C@H](NC(=O)CNC(N)=O)C1 1123719469 PEWQIAWTFSPCER-JQWIXIFHSA-N 316.365 -0.260 30 20 DBED CN(C[C@H](O)CN(C)c1nccnc1C#N)C(=O)c1ccon1 1124982131 ODALEXTXBUMVAQ-SNVBAGLBSA-N 316.321 -0.094 30 20 DBED COc1ccc(C#N)cc1CNCCNC(=O)[C@H](C)NC(N)=O 1126199071 MQXZMHHSZGTKIF-JTQLQIEISA-N 319.365 -0.171 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCNCCN1CCCS1(=O)=O 1126365040 DZQIQYOLRLNKGR-CYBMUJFWSA-N 319.427 -0.945 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1ccnn1CC(F)F 1127293289 STYYFWRADGITLE-UHFFFAOYSA-N 315.324 -0.230 30 20 DBED C#CCOCCC(=O)NCc1cnn2c1CN(CC#N)CC2 1128356255 WTXXADSZWQXNSS-UHFFFAOYSA-N 301.350 -0.122 30 20 DBED N#CCNC(=O)CNCCNC(=O)CCCC1CCOCC1 1128846184 KFXJWSHGTPXFCP-UHFFFAOYSA-N 310.398 -0.071 30 20 DBED C[C@@H](O)CN1C[C@H](n2ccnn2)[C@H](NC(=O)C#CC2CC2)C1 1128985974 ZXAJHAOZJLJSJT-BNOWGMLFSA-N 303.366 -0.586 30 20 DBED C=CCCN[C@@H]1CN(C(=O)c2cnnn2C)C[C@@H]1n1ccnn1 1129795388 HIPJRYPAGFXNEO-YPMHNXCESA-N 316.369 -0.362 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1cc(CN(C)C)on1 1130647853 AZCUMOJZCSZAMG-NSHDSACASA-N 321.381 -0.807 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)CCCC(N)=O)C[C@@]3(C1)O2 1131298151 VCXDYMMKDISAFP-WOSRLPQWSA-N 305.378 -0.423 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)Cc1ccn(C(C)C)n1 1131573785 GSNISJSCQXFZLS-ZDUSSCGKSA-N 319.409 -0.150 30 20 DBED C[C@@H]1CC[C@@H](NC(=O)CCCS(N)(=O)=O)CN1CC#N 1132252364 DFZRQHFODKDXKV-GHMZBOCLSA-N 302.400 -0.452 30 20 DBED C[C@@H]1CCN(C(=O)COCc2ncnn2C)C[C@@H]1CNCC#N 1133213318 LHENBRFLOKBASQ-OLZOCXBDSA-N 320.397 -0.071 30 20 DBED C=CCNC(=O)NC(=O)CN[C@@H](C)C[C@H](C)NC(=O)COC 1133460850 GELQNEZZEXWJOJ-QWRGUYRKSA-N 314.386 -0.483 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)Cn1ccc(C)cc1=O 1134537866 IDIMBNLFPZRGMH-CYBMUJFWSA-N 320.393 -0.447 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CCCCN(C)C1=O 1147639736 YQPOCRCRHLPWJM-OLZOCXBDSA-N 324.425 -0.359 30 20 DBED COCC#CCNCCNC(=O)CN1Cc2ccccc2C1=O 1148337347 QXXDUIWLNQSLPR-UHFFFAOYSA-N 315.373 -0.002 30 20 DBED C#Cc1ccc(C(=O)NCCNC[C@@H](O)COCCOC)nc1 1148370402 WDRDMPIUMLAPPJ-CQSZACIVSA-N 321.377 -0.594 30 20 DBED C=CCNC(=O)CN1CCC2(C1)CN(C(=O)Cc1ncc[nH]1)C2 1148481195 SWLJVBYILCMSST-UHFFFAOYSA-N 317.393 -0.211 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1csc(COC)n1 1153373421 YQTZDXNULCKWCP-JTQLQIEISA-N 324.406 -0.253 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)COC[C@H]1CCCO1 1153684031 FIXNUEHLFVOUSM-CHWSQXEVSA-N 313.398 -0.422 30 20 DBED C=CCNC(=O)NC(=O)CNCCCNC(=O)c1ccncc1 1154145117 OLZLOXVMNQGVBH-UHFFFAOYSA-N 319.365 -0.197 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)c1cc[n+]([O-])cc1 1154386123 IQKRPAWDWMJKDQ-GFCCVEGCSA-N 304.350 -0.833 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)CN1CC[C@H](C)C1 1155255129 KGLXGOMWTFZKTD-UONOGXRCSA-N 323.441 -0.205 30 20 DBED CC#CCN(CC)[C@H](C)CNC(=O)[C@H](C)NS(C)(=O)=O 1155451448 JWQCNULACWDDNY-NEPJUHHUSA-N 303.428 -0.226 30 20 DBED C=CCCC(=O)NCCCNCC(=O)N1CCN(C(C)=O)CC1 1155593468 JPXAVSYSSORDFY-UHFFFAOYSA-N 324.425 -0.261 30 20 DBED C#CCOCCC(=O)NCCCNCC(=O)NCCCOC 1157859637 QYWUQNYQVLAYCZ-UHFFFAOYSA-N 313.398 -0.725 30 20 DBED N#CCN1CC=C(CCNC(=O)C[C@@H]2NC(=O)NC2=O)CC1 1160385894 AQBUAIJXUZGRAG-NSHDSACASA-N 305.338 -0.754 30 20 DBED COc1nc(C)ccc1C(=O)NCCCNCC(=O)NCC#N 1167737848 FFRJCTWNSIZULA-UHFFFAOYSA-N 319.365 -0.252 30 20 DBED CC(C)=CC(=O)N1CC[C@H]2OCCN(CC(=O)NCC#N)[C@@H]2C1 1176899487 AJGIZFNKQABVEX-ZIAGYGMSSA-N 320.393 -0.106 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@@H]1CC12CCOCC2 1177581301 IAABMKKXPQZAIC-ZDUSSCGKSA-N 307.394 -0.352 30 20 DBED C[C@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)C[C@H]1CCN(C)C1 1179935300 ALGBVTNHJXBXAB-MJBXVCDLSA-N 321.425 -0.453 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)Cc2[nH]cnc2C)[C@H]1C 1180006691 DYTMMFGHXQCLBI-STQMWFEESA-N 317.393 -0.411 30 20 DBED CCNC(=O)CC(=O)N1C[C@@H](CNCC#N)C2(CCOCC2)C1 1186355712 CIIMOIQFRILLGZ-CYBMUJFWSA-N 322.409 -0.119 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)CCCn2cncn2)C1 1186854216 YQXVSWBSVMJXKT-CQSZACIVSA-N 305.382 -0.101 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)N1CC[C@@H](NC[C@H](C)O)C1 1188150530 ARKBMIBZPDGSPF-NWDGAFQWSA-N 312.414 -0.179 30 20 DBED C#CCN1C[C@@H]2CCN(C(=O)CCNC(=O)[C@H]3CCCO3)[C@@H]2C1 1190495989 WIYMULQZVHSSPZ-RRFJBIMHSA-N 319.405 -0.162 30 20 DBED C=CCCCN1C[C@@H](O)[C@H](NC(=O)[C@H](C)N2C(=O)CCC2=O)C1 1193473167 LUHFGCGROQIBQY-YNEHKIRRSA-N 323.393 -0.349 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)COCc2ccnn2C)C1 1194038327 BORVDRGJNYZTFI-ZIAGYGMSSA-N 306.366 -0.879 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)[C@@H]2CCC(=O)NC2)CC1 1196388873 VJJXYHNXIOBNKD-CYBMUJFWSA-N 322.409 -0.651 30 20 DBED C=CCNC(=O)CNC[C@H]1CN(C(=O)[C@H](C)C#N)CCCO1 1200116049 SAPDTDSWGNNINI-OLZOCXBDSA-N 308.382 -0.345 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)c2cc(=O)n(C)o2)CCCO1 1200380279 TYUIARQEVPMUDM-GFCCVEGCSA-N 307.350 -0.178 30 20 DBED CC(C)(C)C(=O)N1CCCO[C@H](CNCC(=O)NCC#N)C1 1201917314 LKBYCNHFLNOMTN-GFCCVEGCSA-N 310.398 -0.121 30 20 DBED C#CCCNC1CCN(C(=O)CN2C(=O)NC(=O)C2(C)C)CC1 1203193956 QAHSRRIRRPRVQK-UHFFFAOYSA-N 320.393 -0.079 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CN(CCN2C(=O)CCC2=O)C[C@H]1C 1206662233 DULRZVYTKDUUHC-IJLUTSLNSA-N 306.366 -0.268 30 20 DBED C#CCCN1C[C@@H](NC(=O)[C@@H](CCC)S(N)(=O)=O)[C@H](C)C1 1208104507 CAWMQOWCLRGBNG-JHJVBQTASA-N 315.439 -0.097 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)Cc2cnc[nH]2)[C@H](C)C1 1208914635 ZGLRTVRVTXCIOV-DGCLKSJQSA-N 303.366 -0.862 30 20 DBED CCS(=O)(=O)CC(=O)N1CCC[C@H](NCC#CCOC)C1 1211257809 VCQZZCNKNAXASQ-ZDUSSCGKSA-N 316.423 -0.349 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)CN(CC)CC)C[C@H]1C 1215994256 XQKAUVNGBAZNDW-ZIAGYGMSSA-N 308.426 -0.486 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@@H](NC(C)=O)C2CCCC2)C1 1219975278 GBIKKWURMUYHRL-PMPSAXMXSA-N 321.421 -0.134 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)c2ccnc(OC)n2)C1 1219982206 ODGJMLUIKXKITC-OLZOCXBDSA-N 322.365 -0.537 30 20 DBED COCC#CCN1CCC(CNC(=O)C(C)(C)C(N)=O)CC1 1223534161 VWAXIUWYFPWKGI-UHFFFAOYSA-N 309.410 -0.024 30 20 DBED C#CCN[C@@H]1CCCC[C@H]1NC(=O)CNS(=O)(=O)CC 1226572525 CTKVINCPFFRPGB-VXGBXAGGSA-N 301.412 -0.424 30 20 DBED CCNC(=O)NC(=O)[C@H](C)N1CCC(NC(=O)[C@H](C)C#N)CC1 1226617267 CTJVYPCLMCSZGR-MNOVXSKESA-N 323.397 -0.039 30 20 DBED N#CCNC(=O)CN1CCC(NC(=O)Cc2cnoc2)CC1 1228801448 OIYUWYGTBCIRQJ-UHFFFAOYSA-N 305.338 -0.563 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)CCCC(N)=O)CC1 1230450775 ZIBPJADYWDXPJA-UHFFFAOYSA-N 310.398 -0.475 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@@H]1CN(C)C(=O)c1cn(C)cn1 1233612413 XEHMOWMBNZUCIS-CHWSQXEVSA-N 317.393 -0.296 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1CCOCCO 1235453909 HWEVKSQEPBAHDI-HOTGVXAUSA-N 323.437 -0.374 30 20 DBED C#Cc1ccc(C(=O)OCC(=O)N2CCC(C(N)=O)CC2)nc1 1251628398 AUUDLOOURSITRC-UHFFFAOYSA-N 315.329 -0.056 30 20 DBED CCN(C(=O)C(=O)NC1CCN(CC#N)CC1)[C@H]1CCNC1 1262068263 WNQKLRVSEIGRLY-ZDUSSCGKSA-N 307.398 -0.699 30 20 DBED CC1(C(=O)N[C@H]2CCN(CC(=O)NCC#N)C2)CCOCC1 1266346552 CVGBGBZWWSPYEZ-LBPRGKRZSA-N 308.382 -0.367 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N1CCC2(CC1)NC(=O)NC2=O 1319644944 AVXGQOMRAPKFFZ-SECBINFHSA-N 323.353 -0.939 30 20 DBED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)NCCC(=O)N(C)C 1321857719 RKXVWCDGZYXUEQ-DGCLKSJQSA-N 311.382 -0.322 30 20 DBED C#CCCCNC(=O)C(=O)N1CCC2(CCN(C)C2=O)CC1 1322980983 LJTOZLUVMYLRMK-UHFFFAOYSA-N 305.378 -0.013 30 20 DBED C[C@H](NC(=O)C(=O)NCc1ccc(C#N)cc1F)C(=O)N(C)C 1325159572 LDFBXLVXEALKHE-VIFPVBQESA-N 320.324 -0.094 30 20 DBED CN(C)C[C@@](C)(C#N)NC(=O)c1cn(CC2(C)COC2)nn1 1326716555 VLKDXEMPLVSBHN-CQSZACIVSA-N 306.370 -0.112 30 20 DBED Cc1cc(NC(=O)C(=O)NC[C@@]2(O)CCOC2)ncc1C#N 1326779186 AHMGXLMYFJSDTR-AWEZNQCLSA-N 304.306 -0.532 30 20 DBED Cn1cc(CCNC(=O)C(=O)N2CCN(CCC#N)CC2)cn1 1332555164 LEPFHCGRZAJJNI-UHFFFAOYSA-N 318.381 -0.863 30 20 DBED C=CCn1cc(C(=O)OCc2nnc3n2CCOCC3)nn1 1343856320 GOZSCLMKYBBHAC-UHFFFAOYSA-N 304.310 -0.015 30 20 DBED C[C@@H](NC(=O)C(=O)N1CC[C@@](F)(C#N)C1)c1nnnn1C1CC1 1351847897 KXRIZBPKJRFATI-AMIZOPFISA-N 321.316 -0.351 30 20 DBED CC(=O)NCC(=O)N1CCCN(C(=O)NCC(C)(C)C#N)CC1 1364599557 YBDLPSYLPWKYRC-UHFFFAOYSA-N 323.397 -0.084 30 20 DBED C[C@H](CNC(=O)c1ccc(C#N)[nH]1)NC(=O)[C@@H]1CCC(=O)N1 1386225536 OUUGQPZZJNWUCN-KCJUWKMLSA-N 303.322 -0.601 30 20 DBED CCn1cc(C(=O)NCCN(C)c2ccnc(C#N)n2)nn1 1396174596 SFWAXTMIHZRAEK-UHFFFAOYSA-N 300.326 -0.174 30 20 DBED C[C@H](C#N)C(=O)N[C@@H](CNC(=O)c1c[nH]c(=O)cn1)C1CC1 1407704887 UPDGDIYELXXVFX-SCZZXKLOSA-N 303.322 -0.446 30 20 DBED Cn1c(=O)[nH]c(N[C@H](CC(N)=O)c2ccccc2)c(C#N)c1=O 1412894996 KYSPQGWFDHSIBJ-LLVKDONJSA-N 313.317 -0.026 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](C1CC1)N(C)C(=O)c1cnnn1C 1424899363 AMMBZGCKRNLDDS-KOLCDFICSA-N 304.354 -0.058 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)CCc2cccnc2)C1 1426661310 WXOILWQJDZAARN-BNOWGMLFSA-N 316.361 -0.138 30 20 DBED Cc1nccc(C(=O)N(C)C[C@H](O)CNC(=O)[C@H](C)C#N)n1 1428202683 KUGUPVUNNNJHEX-MWLCHTKSSA-N 305.338 -0.506 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CN(C)C(=O)CCc1ccncn1 1428207733 XVUNKBLUTRVCDC-AAEUAGOBSA-N 319.365 -0.496 30 20 DBED Cc1nc(CC(=O)NCCN(C)C(=O)c2cc(C#N)c[nH]2)n[nH]1 1429250761 ZEDSKCGOEKHWHT-UHFFFAOYSA-N 315.337 -0.256 30 20 DBED C#CCCN1CCC[C@@H](NC(=O)C(C)(C)NS(C)(=O)=O)C1 1490450700 XEHMQRUZLOUQLD-GFCCVEGCSA-N 315.439 -0.082 30 20 DBED CCC(=O)NCC(=O)N[C@@H](C)CNC(=O)c1cc(C#N)c[nH]1 1494662848 PSQWPTWXVZJXFY-VIFPVBQESA-N 305.338 -0.353 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)[C@@H]2CCCCN2C(N)=O)CC1 1506212876 KZFQDTQFNVWQQB-QWRGUYRKSA-N 321.381 -0.156 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H](C)CNC(=O)COCc1nncn1C 1509062654 GVTWQHDTTHASRW-WDEREUQCSA-N 322.369 -0.546 30 20 DBED C#CC[C@]1(C(=O)N[C@@H](CO)[C@@H](O)c2ccccn2)CCCN1 1574517915 RRAAZHUTPVDPDN-OFQRWUPVSA-N 303.362 -0.262 30 20 DBED C[C@@H](CN(C)c1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@@H](C)C#N 1574801549 MJFPZRNHTQUWOH-IUCAKERBSA-N 315.341 -0.243 30 20 DBED COCCNCCNC(=O)CCN/C(O)=C1\N=CC=CC1=O 1579046590 YIILRBSVFJCVOC-BUHFOSPRSA-N 310.354 -0.745 30 20 DBED COC(=O)[C@H]1CCN(c2cnc(-c3nn[nH]n3)c(C#N)n2)[C@@H]1C 1579442153 BHGIWRAJKRSJSP-SFYZADRCSA-N 314.309 -0.084 30 20 DBED COC(=O)COCCNc1cnc(-c2nn[nH]n2)c(C#N)n1 1579450604 WUASGXXFUPWQCO-UHFFFAOYSA-N 304.270 -0.870 30 20 DBED Cn1nccc1[C@@H]1CN(C(=O)N[C@@H]2CNC[C@@H]2C#N)CCO1 1580011735 YPIJVPSSBYBSPT-LOWVWBTDSA-N 304.354 -0.385 30 20 DBED Cc1nn(C)cc1C1=NO[C@@H](C(=O)N(CC#N)CC(=O)O)C1 1600778859 YMJOOTAUKIVANA-LLVKDONJSA-N 305.294 -0.342 30 20 DBED C#CCN(C)C(=O)C(=O)Nc1cc(-c2nn[nH]n2)ccc1OC 1602716546 HKBCDSQCKKJIGY-UHFFFAOYSA-N 314.305 -0.095 30 20 DBED C=C[C@@H](O)C(=O)N1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 1602802989 FNJVLXSPDFTPCL-LLVKDONJSA-N 315.337 -0.543 30 20 DBED CSc1nc(O)c(C(=O)N[C@](C)(CO)C(=O)O)cc1C#N 1607401938 DHMUWYXBGFMTNO-GFCCVEGCSA-N 311.319 -0.054 30 20 DBED Cc1nn(C)c(N2CCN(C(=O)CC#N)CC2)c1-c1nn[nH]n1 1609458623 JIXKEBRTNITKIS-UHFFFAOYSA-N 315.341 -0.529 30 20 DBED C=CCOCC(=O)N1CC[C@H](NCC(=O)NC(=O)NCC)C1 1662470181 DTXCPUMOYIOPBY-NSHDSACASA-N 312.370 -0.775 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)c2cnc3n2CCC3)C1 1665549687 NQWVQQZXTPCTIN-GFCCVEGCSA-N 317.393 -0.064 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2cc(OC)ncn2)C1 1690091681 CEHXTMNARMNSPU-LBPRGKRZSA-N 304.350 -0.061 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@H]1CCCN1C(=O)CNC(=O)OC 1723888640 XUOHLEOYNGPOEF-VXGBXAGGSA-N 324.381 -0.939 30 20 DBED C[C@@H](CNC(=O)CCC1CCOCC1)NCC(=O)NCC#N 1752905946 HIQQGHWCVVZONW-LBPRGKRZSA-N 310.398 -0.073 30 20 DBED C=CCNC(=O)CN[C@H](CC)CNC(=O)c1cnnc(O)c1 1753479588 SCIOGAFZLSGBEA-LLVKDONJSA-N 307.354 -0.418 30 20 DBED C#CCNC(=O)CNC[C@@](C)(NC(=O)[C@H]1CCCO1)C1CC1 1753513690 UHPCLZZWFSQGSC-CZUORRHYSA-N 307.394 -0.211 30 20 DBED C[C@@H](CNCC(=O)NCC#N)CNC(=O)c1ccc(F)nc1 1753606762 DUJZZPKIBJTVHQ-JTQLQIEISA-N 307.329 -0.184 30 20 DBED C#CCN1CCO[C@H](CNC(=O)Cn2c(C)c(C)sc2=O)C1 1753657689 FJJCQLRRMYCSKW-CYBMUJFWSA-N 323.418 -0.023 30 20 DBED C=CCNC(=O)CN(C)C[C@@H](C)NC(=O)[C@@H]1CCCC(=O)N1C 1754343322 RTLFZZOWINEWKN-OLZOCXBDSA-N 324.425 -0.264 30 20 DBED C=CCNC(=O)NC(=O)CNC1(CNC(=O)C#CC(C)C)CC1 1754514042 NXVRKECSLNYGSY-UHFFFAOYSA-N 320.393 -0.104 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2COCCN2CCOCC)nn1 1754972791 PKFMIBVYIIESKZ-CYBMUJFWSA-N 323.397 -0.069 30 20 DBED COCC#CCNC1(CNC(=O)[C@H]2CCCC(=O)N2)CCC1 1754983306 YJPPJNDRFZDODW-CYBMUJFWSA-N 307.394 -0.067 30 20 DBED C=CCNC(=O)[C@H](C)N1CC2(C[C@H](NC(=O)C(F)F)CO2)C1 1755056348 ALHQROFRDBPVDU-UWVGGRQHSA-N 317.336 -0.098 30 20 DBED CC#CCNCC1CC(NC(=O)c2cn(C)c(=O)nc2O)C1 1755220234 JAGKMOBTEBTAJT-UHFFFAOYSA-N 304.350 -0.393 30 20 DBED CC#CCN[C@@H](C)[C@H]1CN(C(=O)c2c[nH]c(=O)cn2)CCO1 1755445000 LSJJNSGITUUEGM-WCQYABFASA-N 304.350 -0.388 30 20 DBED C#CCCN[C@@H]1CCN(C(=O)CN2CCN(C)C(=O)C2)[C@H]1C 1755655859 DCLKXBIJGBDLBN-UONOGXRCSA-N 306.410 -0.637 30 20 DBED CN(C[C@H](O)CNCC#N)C(=O)c1cccc2nc(O)[nH]c12 1755782539 XPMSQWYORDAPNT-SECBINFHSA-N 303.322 -0.185 30 20 DBED COCC#CCN(C)C[C@@H](O)CN(C)C(=O)c1[nH]c(O)nc1C 1755801711 HSJSYSQPCUXTNJ-GFCCVEGCSA-N 324.381 -0.562 30 20 DBED CC(=O)N1CC(C(=O)NC[C@@H](C)N(C)C(=O)C#CC2CC2)C1 1756020514 KQZONKGDYKVSKR-LLVKDONJSA-N 305.378 -0.159 30 20 DBED C[C@@H](CCCNC(=O)c1ccc(=O)n(C)n1)NC(=O)[C@@H](C)C#N 1756341410 IQQBAJKPCGUQOP-QWRGUYRKSA-N 319.365 -0.045 30 20 DBED C[C@@H](C#N)C(=O)NCCCOCCNC(=O)c1ncccn1 1756400230 OJYVXLKBGNHLEE-NSHDSACASA-N 305.338 -0.111 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H](C)CN(C)C(=O)Cc1nc[nH]n1 1756498645 GBCXAWYHDLSGGH-WDEREUQCSA-N 309.370 -0.099 30 20 DBED C#CCOCCC(=O)NC[C@@H](CO)NC(=O)c1ncccc1C 1756520630 AEBJNYFBHKCTHD-ZDUSSCGKSA-N 319.361 -0.363 30 20 DBED C=C[C@](C)(CC)C(=O)NC[C@H](CO)NC(=O)CS(C)(=O)=O 1756548315 PFHQNCHPFSKYPR-ZWNOBZJWSA-N 320.411 -0.773 30 20 DBED C=C(C)CCC(=O)N(C)C[C@@H](O)CNC(=O)[C@H]1CCC(=O)N1 1756665702 NWJXNTREDOBNGD-NWDGAFQWSA-N 311.382 -0.443 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(C(=O)C[C@@H]2CCOC2)C[C@H]1O 1756993549 FNKDYTCSBAGRMN-BFHYXJOUSA-N 308.378 -0.240 30 20 DBED N#CC1(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CNC(=N)N)C3)CC1 1795844667 XZNFMUMRPLWTEK-JGPRNRPPSA-N 318.381 -0.589 30 20 DBED C=CCC(F)(F)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN)C2 1800544149 MNJLTHLMNROCRK-PEGIJTEDSA-N 317.336 -0.254 30 20 DBED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)O)CCO2 1840029622 LNUWHXPCZWQELA-XJKSGUPXSA-N 324.377 -0.763 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)c2ccc(C)[nH]c2=O)CC1 58071302 IEFHFNBRBDPHDC-UHFFFAOYSA-N 318.377 -0.257 30 20 DBED C=CCNC(=O)NC(=O)CN(CC=C)[C@H]1CCS(=O)(=O)C1 66560407 ZMFSKDSWJLFEAN-NSHDSACASA-N 315.395 -0.327 30 20 DBED C/N=C(/NCCNS(C)(=O)=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 128901940 JRPQEEKOMSMMMZ-WDEREUQCSA-N 317.459 -0.674 30 20 DBED C=CCOCCCC(=O)N1CCN(C(=O)Cn2cnnn2)CC1 266263753 FLOYPZPMWODWMM-UHFFFAOYSA-N 322.369 -0.673 30 20 DBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@@H](O)C1 268919891 QAFSCMKHGVJXGX-ZYHUDNBSSA-N 323.374 -0.182 30 20 DBED COC[C@@](C)(NCC(=O)N(CCC#N)CCC#N)C(=O)OC 271183131 IDRHXBZTXHJBSN-CQSZACIVSA-N 310.354 -0.190 30 20 DBED CN(C)S(=O)(=O)CCN1CCN(c2ccc(C#N)cn2)CC1 285901639 GZCBRIHRSPCERH-UHFFFAOYSA-N 323.422 -0.033 30 20 DBED COC(=O)[C@H](C/N=C(\N)N1CCN(c2ncccn2)CC1)OC 291939518 PKMPVQYFPSTLLO-NSHDSACASA-N 322.369 -0.899 30 20 DBED C=CCN(C(=O)CN(C)C(=O)OC)[C@H]1CCS(=O)(=O)C1 299136921 GDZQOYBTXTTZPP-JTQLQIEISA-N 304.368 -0.114 30 20 DBED CN/C(=N\C[C@H]1CCCS1(=O)=O)NCCN1CCOCC1 305091765 XXLHVXUZODVUPP-GFCCVEGCSA-N 318.443 -0.939 30 20 DBED CCCNC(=O)C/N=C(/O)N[C@@H]1CCCN(S(C)(=O)=O)C1 330422076 GFWOMKUMLPZCQS-SNVBAGLBSA-N 320.415 -0.560 30 20 DBED CNS(=O)(=O)c1ccc(/C(O)=N/[C@@H]2CCCNC2=O)cn1 331006717 HTJWVFZXBSBAIU-SECBINFHSA-N 312.351 -0.427 30 20 DBED CCN(C[C@@H]1CCCO1)S(=O)(=O)N1CCO[C@H](C#N)C1 336928129 YQVYSYDMFQCHIE-NWDGAFQWSA-N 303.384 -0.044 30 20 DBED COCCCN(C)CCNS(=O)(=O)N(C)C[C@@H](C)C#N 337082812 ZYBKDRUHRFDPQV-LBPRGKRZSA-N 306.432 -0.119 30 20 DBED N#Cc1cc(NC(=O)C(=O)NC[C@]2(O)CCOC2)ccc1F 339150156 SBBVAOCKIABOSK-CQSZACIVSA-N 307.281 -0.097 30 20 DBED C[C@H]1[C@@H](C)N(C(=O)NCCn2cnc(C#N)n2)CC[S@]1=O 347611737 KZBDKAQRXCRCJG-QONUSYMYSA-N 310.383 -0.299 30 20 DBED C=CCOC[C@@H](NC(=O)N1CCS(=O)(=O)CC1)C(=O)OC 360604834 NIHZLKYGOQVFRJ-SNVBAGLBSA-N 320.367 -0.829 30 20 DBED C=C(C)CNC(=O)N(CC)CC(=O)N[C@H]1CCS(=O)(=O)C1 361570452 WKRVACDOJPVIEV-NSHDSACASA-N 317.411 -0.103 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N1CC[C@@H](S(=O)(=O)NC)C1 372157407 PJQWIGIVYGVADH-NXEZZACHSA-N 318.399 -0.990 30 20 DBED C=CCOc1ccccc1CNC(=O)C(=O)N(CCN)CCO 418939706 RTNBKOVKTKZRQL-UHFFFAOYSA-N 321.377 -0.353 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)CC(C)(C)COC)CC1 491810742 AKGVOXBVPVYFNU-UHFFFAOYSA-N 309.410 -0.057 30 20 DBED O=C(CNC(=O)OCC(F)(F)F)N[C@H]1CCCN(O)C1=O 497074723 VFUSJXWITZPMOP-LURJTMIESA-N 313.232 -0.229 30 20 DBED N#CC1(NS(=O)(=O)c2cccc(S(N)(=O)=O)c2)CC1 534402622 OOEVPONPYMQJLU-UHFFFAOYSA-N 301.349 -0.332 30 20 DBED N#CCNC(=O)CNC(=O)[C@@]1(c2ccccc2)CCC(=O)NC1 563396274 GTXFEXZGJGKPHT-INIZCTEOSA-N 314.345 -0.410 30 20 DBED N#Cc1cc([N+](=O)[O-])cnc1N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 566491125 QVODNVGYEDQKGF-MNOVXSKESA-N 302.294 -0.390 30 20 DBED CN(C[C@@H](O)CN1CCOCC1)C(=O)c1cccc(C#N)n1 589466257 PPQZQBONNTYPQH-CYBMUJFWSA-N 304.350 -0.282 30 20 DBED C[C@H]1CN(CCNS(=O)(=O)N(C)CCC#N)[C@H](C)CO1 594817099 NNGNTCWVMZEBPG-NEPJUHHUSA-N 304.416 -0.225 30 20 DBED CN1CC[C@@H](N2CCC(N=c3cc[nH]c(C#N)n3)CC2)C1=O 601176119 GGWCMTJUWOFEBX-GFCCVEGCSA-N 300.366 -0.123 30 20 DBED C[C@H]1CN(C(=O)C(=O)N2CCN(CCC#N)CC2)C[C@@H](C)N1 601581552 IDPKGOFGTYWUGF-BETUJISGSA-N 307.398 -0.747 30 20 DBED CC#CC[C@H](CO)NC(=O)CC1CCN(S(C)(=O)=O)CC1 655160225 IHWLNALZJNLAHW-CYBMUJFWSA-N 316.423 -0.061 30 20 DBED C=C[C@H](CO)NC(=O)Nc1ccc(C(=O)NCCC(N)=O)cc1 667136894 JPNAANVAXNNUDQ-LLVKDONJSA-N 320.349 -0.040 30 20 DBED COCCN1C[C@H](C(=O)OCCn2ncc(C#N)c2N)CC1=O 731772009 IOHHCXUMRIVZBH-SNVBAGLBSA-N 321.337 -0.625 30 20 DBED C=C(Cl)CNC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 746282886 YYBDJKRZYHJYIH-UHFFFAOYSA-N 320.758 -0.739 30 20 DBED C#C[C@@H](NC(=O)NCCNS(=O)(=O)CC)[C@@H]1CCCO1 773274969 YZAWLOWHNKMASD-MNOVXSKESA-N 303.384 -0.594 30 20 DBED C=CCS(=O)(=O)CCNC(=O)c1ccc(-n2ccnc2)nn1 783617782 HREBCQVKRQZXAB-UHFFFAOYSA-N 321.362 -0.007 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)CCn2cc[nH]c(=O)c2=O)C1=O 799025993 CFJHHFVXDGAXLP-NSHDSACASA-N 320.349 -0.828 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCOC[C@H]1C1CC1)[C@@H]1CCCO1 809305506 FAROKMIKICJUEZ-IHRRRGAJSA-N 306.362 -0.079 30 20 DBED COc1cc(C#N)ccc1S(=O)(=O)NC(=O)c1ncn(C)n1 810679509 PMESEZLNPTVZBI-UHFFFAOYSA-N 321.318 -0.186 30 20 DBED C#CC[C@H](CO)NC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 816668936 CBJFUWXYKCFINF-CVNCSBKSSA-N 302.330 -0.706 30 20 DBED C#CCOc1cccc(NC(=O)C(=O)NCC(=O)N(C)OC)c1 817401637 JWVJEDCYNKBKFR-UHFFFAOYSA-N 319.317 -0.227 30 20 DBED C#CC[C@@H](CO)NC(=O)CNS(=O)(=O)c1cccs1 820065382 ZHBJEGZAUNQGRC-VIFPVBQESA-N 302.377 -0.473 30 20 DBED C#CC[C@H](NS(=O)(=O)c1ccc(C(=O)OC)o1)C(=O)OC 841539628 DCVVEFOOOCEQMO-QMMMGPOBSA-N 315.303 -0.091 30 20 DBED N#Cc1ccc2c(c1)NC(=O)C2=NN[C@@H]1CCS(=O)(=O)C1 844561974 CMOMGRBYRVUMFH-SECBINFHSA-N 304.331 -0.009 30 20 DBED C#CCOCCNC(=O)[C@H](CO)NC(=O)c1ccc(F)cc1 845941138 JBRBKMRSDCKJNI-ZDUSSCGKSA-N 308.309 -0.318 30 20 DBED C[C@@H](C(=O)N(C)CC(=O)N[C@@H]1CCCN(O)C1=O)n1cccn1 848137411 ALWIRCDJYJOXMI-WDEREUQCSA-N 323.353 -0.601 30 20 DBED CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)N[C@H]1CNC[C@@H]1C#N 852875753 OZIYYUVPGHKIRS-ZMLRMANQSA-N 314.411 -0.679 30 20 DBED C#Cc1cccc(NC(=O)C(=O)NCCOCC(=O)OC)c1 862062661 UWOJNCBKAQUCHY-UHFFFAOYSA-N 304.302 -0.088 30 20 DBED C#Cc1cc(F)c(NC(=O)C(=O)N[C@H]2COC[C@H]2O)c(F)c1 873977179 HFXRUSCBCDOVPZ-WDEREUQCSA-N 310.256 -0.240 30 20 DBED C#CCN1CCC(NC(=O)CS(=O)(=O)NC(C)(C)C)CC1 928657481 KMPPHGMEOFWUKL-UHFFFAOYSA-N 315.439 -0.082 30 20 DBED C[C@H](C#N)C(=O)N1CCCN(C(=O)CS(C)(=O)=O)CC1 940422124 PAWWWXCYAYOHJE-SNVBAGLBSA-N 301.368 -0.748 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)[C@H]1CCN(C(=O)C(N)=O)C1 942811864 SCMYVCGZVAOANX-XQQFMLRXSA-N 323.393 -0.098 30 20 DBED C=CCN1CC[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)[C@H](C)C1 944490946 IPCBNZKHHPXDGQ-DGCLKSJQSA-N 307.398 -0.097 30 20 DBED C#CCN1CCOC2(CCN(C(=O)[C@H]3CC[C@H]3C(N)=O)CC2)C1 949430668 ZINRKXZEVKKXET-KGLIPLIRSA-N 319.405 -0.176 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2CCN2C(=O)CC(C)(C)O)nn1 950053397 VWTSOSASTWKWTR-LLVKDONJSA-N 321.381 -0.044 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@]2(CCN(C(=O)CC(N)=O)C2)C1 952875417 OJLKCAUPOJXMHY-ABAIWWIYSA-N 306.366 -0.137 30 20 DBED C[C@H](C#N)C(=O)N1CC(N(C)C(=O)c2coc(C(N)=O)c2)C1 954812323 NWRGYRRHLQSQGJ-MRVPVSSYSA-N 304.306 -0.179 30 20 DBED C[C@H]1C[C@H](NC(=O)C(N)=O)CCN1C(=O)c1ccc(C#N)[nH]1 955632333 YZEAEDPYGVRERJ-DTWKUNHWSA-N 303.322 -0.519 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2cc(C3CC3)n(C)n2)C1 958121870 MZNMDFGPMKSISD-IUODEOHRSA-N 302.378 -0.047 30 20 DBED C=C(Cl)CN1C[C@H]2C(NC(=O)CN3CCOCC3=O)[C@@H]2C1 960301124 BCASUOYJDPPGNK-GHMZBOCLSA-N 313.785 -0.356 30 20 DBED N#Cc1cc(C(=O)N2C[C@@H]3CN(C(=O)CC(N)=O)C[C@@H]3C2)c[nH]1 961210427 WTJJRBKKCDOSKV-PHIMTYICSA-N 315.333 -0.708 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1[C@H]2CN(Cc3nnn(C)n3)C[C@H]12 961826366 OLDVRYBOZXRBPO-RHYQMDGZSA-N 318.381 -0.652 30 20 DBED O=C(Cn1ncnn1)N[C@@H]1CCCN(C(=O)C#CC2CC2)CC1 964929489 UKAREAOIQOOMSL-CYBMUJFWSA-N 316.365 -0.416 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CN(C(=O)c3ccn(C)n3)CCO2)C1 965384930 DKHSYZJDACUKOP-LLVKDONJSA-N 317.349 -0.367 30 20 DBED CC1(C)CN(C(=O)C(N)=O)CC[C@H]1NC(=O)c1cc(C#N)c[nH]1 966994687 BYISJBYTPOKXBU-LLVKDONJSA-N 317.349 -0.271 30 20 DBED CN(C(=O)C(N)=O)[C@@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)CC1 967652223 QOUNUMVIQVLFRK-LLVKDONJSA-N 317.349 -0.175 30 20 DBED CC[C@]1(C(=O)N2CC[C@]3(CN(CC#N)CCO3)C2)CCNC1=O 972420756 BRPBMNSBQYCNCT-HOTGVXAUSA-N 320.393 -0.270 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]2CCN(C(=O)Cn3nccn3)C[C@@H]21 975727898 UGJKQGJONDULBM-AVGNSLFASA-N 316.365 -0.113 30 20 DBED CC#CCN1C[C@H]2C(CNC(=O)C3CC(=O)NC(=O)C3)[C@@H]2C1 978866645 UHTCSFFLLWLTIX-STQMWFEESA-N 303.362 -0.644 30 20 DBED N#CCN1C[C@@H]2CC[C@@H](NC(=O)Cn3c(O)nnc3O)C[C@H]2C1 980233793 UZRGVFDXPVFGQO-GARJFASQSA-N 320.353 -0.570 30 20 DBED C#CCN1CC[C@@]2(NC(=O)C[C@@H]3NC(=O)NC3=O)CCC[C@H]12 991099802 JNTLFYLIHKXHQA-PGUXBMHVSA-N 304.350 -0.669 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)[C@@H](C)N2C(=O)CCC2=O)C1 993793370 KUJMTJCMTCXPEE-DTWKUNHWSA-N 306.322 -0.989 30 20 DBED CC1(C)CN(C(=O)CC[C@@H]2NC(=O)NC2=O)C[C@H]1NCC#N 996583178 GKXQFZPAQFWBDN-VHSXEESVSA-N 307.354 -0.675 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)cn1 997102747 WYSFWKYVSWMXCF-OLZOCXBDSA-N 312.329 -0.875 30 20 DBED C=C(Cl)CNC1CC(N(C)C(=O)CN2CCNC(=O)C2)C1 999229196 UCLTVALOXOACCX-UHFFFAOYSA-N 314.817 -0.250 30 20 DBED C#Cc1cncc(C(=O)NC2CN(C(=O)c3cc[n+]([O-])cc3)C2)c1 999305470 YCOVOQAAKYYNHL-UHFFFAOYSA-N 322.324 -0.049 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1000018351 QGRZPUJPDJDQET-DGTMBMJNSA-N 306.362 -0.203 30 20 DBED COc1coc(C(=O)NCC2CN(C(=O)[C@H](C)C#N)C2)cc1=O 1003221411 CTSXGPXQMRHZJB-SECBINFHSA-N 319.317 -0.004 30 20 DBED COc1ccc(C(=O)N2CCN(C(=O)[C@H](C)C#N)CC2)nn1 1012328223 PEMQUKMCVVXPQO-SNVBAGLBSA-N 303.322 -0.071 30 20 DBED COc1ccc(C(=O)NC2[C@@H]3CN(C(=O)[C@H](C)C#N)C[C@@H]23)nn1 1013783367 SZOIGCMRVCCYFE-OPRDCNLKSA-N 315.333 -0.169 30 20 DBED CC#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@H]1CC(=O)NC1=O 1018346656 MCBQPJAPTWATSH-UPJWGTAASA-N 303.362 -0.262 30 20 DBED O=C1N[C@@H](C(=O)N2C[C@@H]3CCN(C(=O)C#CC4CC4)[C@@H]3C2)CO1 1021589562 ZCLUMOGKNDETRV-YNEHKIRRSA-N 317.345 -0.433 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H]2C[C@@H](NCC(=O)N3CCC3)C2)c1 1021941644 PXGSBXJWJIHPJJ-TXEJJXNPSA-N 301.350 -0.031 30 20 DBED Cc1noc(C)c1C(=O)N[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1O 1023021837 RKMZDXUMRLRCRX-AVPPRXQKSA-N 306.322 -0.247 30 20 DBED Cc1ncccc1CC(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1O 1025678560 LIRGXULOPOXVLB-ZLKJLUDKSA-N 316.361 -0.220 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)c3ccnc(C)n3)C2)C1=O 1031403677 HXPFWCNPBKUXGL-AWEZNQCLSA-N 315.377 -0.014 30 20 DBED C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)Cn1nc(C)n(C)c1=O 1032759505 QJVKBXDLTWSEAO-STQMWFEESA-N 305.382 -0.249 30 20 DBED C[C@@H]1CN(C(=O)CCn2ncn(C)c2=O)CC[C@@H]1NCC#N 1036115293 LLFLBURFNULMRI-NEPJUHHUSA-N 306.370 -0.678 30 20 DBED C=CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1cn(C)c(=O)n(C)c1=O 1037604651 DSZYMDVPASDPGI-ADEWGFFLSA-N 304.350 -0.928 30 20 DBED C=CC(C)(C)C(=O)NC[C@@]1(O)CCN(C(=O)c2cn(C)nn2)C1 1040488100 JBQUOMTXMABBDQ-HNNXBMFYSA-N 321.381 -0.280 30 20 DBED C=CCCC(=O)N1CC[C@@](O)(CNC(=O)[C@H]2CCC(=O)N2C)C1 1040642799 BNOOUXVAYHWZSM-MLGOLLRUSA-N 323.393 -0.347 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)c3nccs3)C2)nn1 1041143351 MVJDXXWBNDMLRJ-NXEZZACHSA-N 316.346 -0.216 30 20 DBED N#CCN1CC[C@@]2(CCN(C(=O)CN3CCOCC3=O)C2)C1 1041362869 NLQKAQWBPBTMTI-OAHLLOKOSA-N 306.366 -0.707 30 20 DBED CC[C@@H](OC)C(=O)N1CC(O)(CNC(=O)CSCC#N)C1 1041568822 PPJRQPFGUOMPKN-SNVBAGLBSA-N 315.395 -0.642 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)[C@@H](CC)OCC)C1 1041822602 GSCQLKJZRUSBTG-GFCCVEGCSA-N 314.382 -0.306 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)C2(C(=O)NC)CCC2)C1 1041956843 XJJMPOFXMATDOE-UHFFFAOYSA-N 323.393 -0.442 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@@H]3CCN(CC(N)=O)[C@@H]3C2)c1 1042001155 UEPFASLUGKOAFO-WCQYABFASA-N 301.350 -0.092 30 20 DBED CC(C)(O)CC(=O)NCC1(O)CN(C(=O)c2cc(C#N)c[nH]2)C1 1042827798 YNEKCVKROHZSEK-UHFFFAOYSA-N 320.349 -0.650 30 20 DBED C[C@@H](C(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1)[C@@H]1CCCO1 1042960105 FBLSTOOHAJLZBK-OCCSQVGLSA-N 320.389 -0.096 30 20 DBED CCC(=O)N[C@H](C)C(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042965211 XPVPAYKGLGSZMS-LLVKDONJSA-N 321.377 -0.996 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)[C@@H]2CC23CCOCC3)C1 1043829223 RHFBKFIQAOERMS-RYUDHWBXSA-N 321.377 -0.348 30 20 DBED Cc1nonc1C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@@H]1O 1044028093 DAOMOHCXDQCCFW-ZJUUUORDSA-N 315.293 -0.981 30 20 DBED Cc1ccc(C#N)c(N2C[C@H](O)[C@H](NC(=O)c3nc[nH]n3)C2)n1 1044109303 KSXXXSOEVROPSR-MNOVXSKESA-N 313.321 -0.641 30 20 DBED C=C[C@@H](CC)CC(=O)NCC1(O)CN(C(=O)c2cnn[nH]2)C1 1045072477 LINMJTKCWSLNFV-JTQLQIEISA-N 307.354 -0.290 30 20 DBED N#CCSCC(=O)N1CC(O)(CNC(=O)c2ncccn2)C1 1045208548 DGHBDYADGSUHAF-UHFFFAOYSA-N 321.362 -0.964 30 20 DBED C#CCN1[C@H]2CC[C@H]1CN(C(=O)CN1C(=O)CCC1=O)CC2 1045888153 DXZSDBYLECNMLN-STQMWFEESA-N 303.362 -0.166 30 20 DBED C#CCN1CC[C@H](N2CCN(C(=O)C34CCN(CC3)C4)CC2)C1 1046076259 LGFTYWNWHKFFSK-INIZCTEOSA-N 316.449 -0.066 30 20 DBED CN(C(=O)CSCC#N)[C@H]1CN(C(=O)c2ccc[nH]2)C[C@@H]1O 1048302449 RMXQRJJHEJDROK-RYUDHWBXSA-N 322.390 -0.085 30 20 DBED C#CCNC(=O)CC(=O)N(C)[C@H]1CN(C(=O)/C(C)=C/C)C[C@@H]1O 1048712380 RLNZRIIZGUJZEQ-NHFJXKHHSA-N 321.377 -0.878 30 20 DBED C#CCN1C[C@@H]2CCCN(C(=O)[C@H]3CN(C(C)=O)CCO3)[C@@H]2C1 1050193023 ZBGKYQHXSBYSFH-ARFHVFGLSA-N 319.405 -0.210 30 20 DBED N#CCN1CCOC[C@H]1CNC(=O)c1ccnc2[nH]cnc12 1050942666 FLBATLJKXDRLKF-SNVBAGLBSA-N 300.322 -0.088 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(C(=O)CNC(C)=O)C[C@@H]1C 1051852928 ZPSZIGWCXAKKMM-GXTWGEPZSA-N 323.393 -0.627 30 20 DBED COCCN1C[C@H](C(=O)N[C@@H]2CCCN(CC#N)CC2)CC1=O 1052429860 OFKUNLXAJAFVPF-ZIAGYGMSSA-N 322.409 -0.024 30 20 DBED CCN1CC[C@H](N2CC3(CN(C(=O)[C@H](C)C#N)CCO3)C2)C1=O 1053191046 KUEGRIPOHDIANF-OLZOCXBDSA-N 320.393 -0.320 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)[C@H]1CCNC(=O)C1)CCO2 1053219719 WNUYJECGCCFJIF-ZDUSSCGKSA-N 305.378 -0.551 30 20 DBED N#CCN1CC2(C1)CN(C(=O)C[C@@H]1CCCCC(=O)N1)CCO2 1053517344 PEBCBNWPQGQDAE-ZDUSSCGKSA-N 320.393 -0.128 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)C[C@H]3CCC(=O)N3)CO2)C1 1053954371 OTTPTGKIUNGVPL-CHWSQXEVSA-N 305.378 -0.362 30 20 DBED C#CCN1CC[C@]2(CCCN(C(=O)C[C@H]3CC(=O)NC3=O)C2)C1 1054250559 WPBOWAUFDIAUSD-CXAGYDPISA-N 317.389 -0.013 30 20 DBED C=CCCC(=O)N1CCC[C@@](CO)(NC(=O)c2ncn(C)n2)C1 1055924684 YTFATIOZBJEVHQ-OAHLLOKOSA-N 321.381 -0.135 30 20 DBED C[C@@H](C#N)C(=O)N[C@]1(CO)CCCN(C(=O)c2cocn2)C1 1056094130 QNHSFQSFXFDYCA-IINYFYTJSA-N 306.322 -0.082 30 20 DBED C[C@@H](C(=O)N[C@H]1[C@@H]2CN(c3nccnc3C#N)C[C@@H]21)n1cncn1 1056168276 JGKRHRSLCAFHMD-MEWQQHAOSA-N 324.348 -0.248 30 20 DBED N#Cc1cnc(N2C[C@H]3[C@H](NC(=O)Cc4ncc[nH]4)[C@H]3C2)cn1 1056275255 FSSUZQLFUHSNGN-HBYGRHMLSA-N 309.333 -0.135 30 20 DBED CN1CC[C@@H](C(=O)N2CC[C@@H](Nc3cncc(C#N)n3)C2)C1=O 1056752704 GYGHQGNPKYXXFL-ZYHUDNBSSA-N 314.349 -0.161 30 20 DBED C#CCO[C@H](C)C(=O)NCCN(CCO)C(=O)[C@@H](C)COC 1057191946 IWERGAUQEFQVBA-QWHCGFSZSA-N 314.382 -0.756 30 20 DBED C#CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)c1cocn1 1057201452 CODDKTWWPVBYHV-NSHDSACASA-N 309.322 -0.736 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)CNC(=O)C1CC1 1057517629 ZEZRKYNIIRFVHU-UHFFFAOYSA-N 323.393 -0.891 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)[C@H]1CCCNC1=O 1057524558 HZGHLZOBPQSNBP-ZDUSSCGKSA-N 323.393 -0.891 30 20 DBED N#Cc1nccnc1N[C@@H]1CCCN(C(=O)[C@H]2CCNC2=O)C1 1057725168 VEPHYWXUDAFCEW-MNOVXSKESA-N 314.349 -0.113 30 20 DBED Cn1nnc(C(=O)N2CCC[C@@H](Nc3ccc(C#N)nn3)C2)n1 1057738764 WAMQEDGDNQXITN-SNVBAGLBSA-N 313.325 -0.412 30 20 DBED N#Cc1ccc(N2CCC[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)nn1 1058239287 INKKGQCXIQHUGP-TUAOUCFPSA-N 314.349 -0.445 30 20 DBED C#CCC1(C(=O)NCCN(CCO)C(=O)c2nc[nH]n2)CCC1 1058380989 UUYDOICKBCUKQO-UHFFFAOYSA-N 319.365 -0.451 30 20 DBED C=C[C@@](C)(CC)C(=O)N(CCO)CCNC(=O)Cn1nccn1 1058728395 SJHXMCGLNNQMQY-HNNXBMFYSA-N 323.397 -0.183 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1C[C@H](NC(=O)[C@@H]2COC(=O)N2)C1 1059212115 RVWZECOGKDIWMA-NHCYSSNCSA-N 301.306 -0.457 30 20 DBED N#Cc1cccnc1N[C@H]1C[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 1059391591 FJWRGRHEWZDLTN-GMTAPVOTSA-N 300.322 -0.306 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@H](CCNC(=O)CNC(N)=O)C1 1059646824 YCSKHPPZCLKORW-NEPJUHHUSA-N 324.381 -0.952 30 20 DBED N#Cc1ccc(NC[C@@H]2CCN(C(=O)[C@@H]3CCNC3=O)C2)nn1 1060952820 JNFKNFDCLWFDNZ-CMPLNLGQSA-N 314.349 -0.255 30 20 DBED C=CCOCC(=O)NC[C@H]1COCCN1C(=O)c1cncn1C 1061426110 KTHWLHCNBAXKFU-LBPRGKRZSA-N 322.365 -0.420 30 20 DBED N#Cc1cncc(N2CC[C@H](CNC(=O)c3nccnc3N)C2)n1 1061551532 OTQDVZZMFULBBW-SNVBAGLBSA-N 324.348 -0.023 30 20 DBED Cc1cc(C#N)nc(N2C[C@@H]3C[C@H]2CN3C(=O)CC(N)=O)n1 1062462829 PTILXSJKBHNXSD-QWRGUYRKSA-N 300.322 -0.678 30 20 DBED C#CCOCCC(=O)NCC1(NC(=O)c2cnn(C)n2)CCC1 1063038620 MUPIBBDGYFOFDV-UHFFFAOYSA-N 319.365 -0.376 30 20 DBED N#Cc1nccc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)c2c[nH]c(=O)cn2)n1 1064334551 VGXCKIIFJMMVNP-IPURGOFSSA-N 323.316 -0.561 30 20 DBED COC(=O)NCC(=O)N1CCO[C@@H](CNC(=O)C#CC2CC2)C1 1064915423 FMFXELGCVWUGMC-LBPRGKRZSA-N 323.349 -0.901 30 20 DBED CN(C(=O)c1c[nH]c(C#N)c1)[C@H]1CN(c2ncccn2)C[C@@H]1O 1065578003 UYQLGACRWVWXKF-STQMWFEESA-N 312.333 -0.002 30 20 DBED C=C1CC(C)(C(=O)N2CCO[C@H](CNC(=O)CNC(N)=O)C2)C1 1065593304 QIQZLKZKWLQXPZ-LLVKDONJSA-N 324.381 -0.645 30 20 DBED Cn1ncc(C(=O)N2C[C@@H]3CN(c4cncc(C#N)n4)C[C@@H]3C2)n1 1066013118 DDLUQOBOZDZXQH-PHIMTYICSA-N 324.348 -0.315 30 20 DBED N#Cc1nccnc1N1CCOC[C@H]1CNC(=O)c1cc[nH]n1 1066463970 IWROFIDJZAYKMA-SNVBAGLBSA-N 313.321 -0.293 30 20 DBED N#Cc1ccc(N[C@@]2(CO)CCCN(C(=O)C(N)=O)C2)cn1 1066920320 PMJLGAHPZPJHPW-AWEZNQCLSA-N 303.322 -0.796 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)c2cnn(C)n2)CCOCC1 1070166799 RZIGERANLZTJJV-SNVBAGLBSA-N 320.353 -0.630 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2cn(CC)nn2)C[C@@H]1n1ccnn1 1070303979 DGPSIUMMQFAKGM-YPMHNXCESA-N 314.353 -0.822 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CCCN(C(=O)c2cnn(C)n2)C1 1070985017 CRMKUVLPCCPGTO-NWDGAFQWSA-N 319.365 -0.426 30 20 DBED C#CCN[C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2nc[nH]n2)CC1 1071097567 QFAVXGRDGWXROO-CJNGLKHVSA-N 317.393 -0.034 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H](C)[C@H](NC(=O)c2cocn2)C1 1071936918 VSXLBRQXMUTQAT-WDEREUQCSA-N 318.333 -0.609 30 20 DBED C#CCOCCC(=O)N1C[C@H](C)[C@@H](NC(=O)C(C)(C)C(N)=O)C1 1072097185 JXZBGHBNVYBJJM-RYUDHWBXSA-N 323.393 -0.499 30 20 DBED C#CCOCCC(=O)N[C@H]1CN(C(=O)c2cnon2)C[C@H]1C 1072584268 GELSCRXPWOODSG-PWSUYJOCSA-N 306.322 -0.314 30 20 DBED CC#CCN1CCC2(C1)CN(C(=O)CN1C(=O)CN(C)C1=O)C2 1073412113 BBCQVNSAZVXZOT-UHFFFAOYSA-N 318.377 -0.562 30 20 DBED CC#CCN1CCCO[C@@H](CNC(=O)[C@@H]2COCCN2CC)C1 1073664461 HDNGKOIOPKHXNK-HOTGVXAUSA-N 323.437 -0.063 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)c2ccc(N(C)C)nn2)C1 1073856326 CMRLREDDFGLBEM-CYBMUJFWSA-N 317.393 -0.004 30 20 DBED C#CCCN1CCCO[C@H](CNC(=O)c2cn(C)c(=O)n2C)C1 1073904926 QJRSFNNBKWRYLZ-CYBMUJFWSA-N 320.393 -0.432 30 20 DBED C#CCCN1CCO[C@H]2CCN(C(=O)CN3CCCC3=O)C[C@H]21 1074161094 ZDLQWZIBRKXQFP-CABCVRRESA-N 319.405 -0.066 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)c3cnn(CC)n3)C[C@@H]21 1074236109 MPCYDGKVGOBBDJ-UONOGXRCSA-N 303.366 -0.154 30 20 DBED C[C@H](C#N)C(=O)N1CCC(O)(CNC(=O)[C@H]2CCCO2)CC1 1074703751 QMZUNXSDHXELGM-VXGBXAGGSA-N 309.366 -0.205 30 20 DBED C[C@@H](CCNC(=O)c1ccc(C#N)[nH]1)NC(=O)[C@@H]1COCCO1 1076177618 IQZFZSBSQHTZKJ-GWCFXTLKSA-N 320.349 -0.074 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)c2nc(OC)cc(OC)n2)C1 1077234697 XQWJGXBHHRHWRG-GHMZBOCLSA-N 320.349 -0.708 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)C2(N3CCOCC3)CCC2)C1 1077917704 HKQNISVUZHGJGS-HUUCEWRRSA-N 321.421 -0.574 30 20 DBED N#Cc1ccc(CNC[C@@H]2CN(C(=O)C(N)=O)CCCO2)cc1 1078456883 JNQQMRXQKHCEPG-CQSZACIVSA-N 316.361 -0.249 30 20 DBED C#CCCCC(=O)N1CC(N(CC)C(=O)[C@H]2COC(=O)N2)C1 1079701740 MKHXMWUMPFLZDL-GFCCVEGCSA-N 307.350 -0.042 30 20 DBED C=CCCC(=O)N1CCC(CO)(NC(=O)Cn2nccn2)CC1 1080872080 DESCYMWHDWCHJW-UHFFFAOYSA-N 321.381 -0.286 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cn(C)cn2)C1 1081408743 RFNNFZLVHKMVGT-OCCSQVGLSA-N 318.377 -0.227 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@H](CNC(=O)C2CN(C(C)=O)C2)C1 1081436847 PCPJVEZXCVQTAT-OCCSQVGLSA-N 323.393 -0.634 30 20 DBED C=CC(C)(C)C(=O)NC[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1O 1081641938 ABRMDXLLJHLEAY-NXEZZACHSA-N 307.354 -0.434 30 20 DBED C=CC(C)(C)CC(=O)N1C[C@H](CNC(=O)c2nc[nH]n2)[C@@H](O)C1 1081652961 HZNVUVCTLPEBSI-QWRGUYRKSA-N 321.381 -0.044 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@@H]1CCCN(C(N)=O)C1 1081915878 ZSBXLJHRZWQRFS-IJLUTSLNSA-N 309.370 -0.884 30 20 DBED C=C(C)CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CS(C)(=O)=O 1083017390 VKUVLNBTYDJQMA-QWHCGFSZSA-N 316.423 -0.091 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cc(=O)n(C)o1 1083063379 HMZHDZQSIIEGEK-WCQYABFASA-N 305.334 -0.473 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CCN(C(C)=O)C1 1083261012 ZJEBAOBGNUYFRP-QLFBSQMISA-N 305.378 -0.600 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)CN2CCCC2=O)C1 1083330983 PAZRMXIEMIJNRF-MNOVXSKESA-N 301.774 -0.477 30 20 DBED Cc1noc(CN2C[C@H](O)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)n1 1083414801 WDMJCMYZGMOLNK-NEPJUHHUSA-N 316.321 -0.447 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)c2cncc3ncn(C)c23)C1 1083538345 UNAPRNJCOIYCIZ-OLZOCXBDSA-N 301.350 -0.071 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2cc3c(nc2O)CCCC3)C1 1083880399 DCTWQTJYICFKAM-KGLIPLIRSA-N 316.361 -0.036 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)c2cn([C@@H]3CCOC3)nn2)C1 1083929819 NHPYMAJBSPKMDS-BZPMIXESSA-N 319.365 -0.962 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)c2nc3nc(C)cc(C)n3n2)C1 1084023336 MZFSZAWJDAOOQQ-NEPJUHHUSA-N 316.365 -0.298 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)[C@H](C)N3C(=O)CCC3=O)[C@@H]2C1 1084387765 XNNCANUPKOVXAE-YNEHKIRRSA-N 303.362 -0.310 30 20 DBED CN(C)[C@H](Cn1cccn1)C(=O)N1C[C@H]2CCN(CC#N)C[C@H]21 1084405456 NWUXADUFCKDOMN-RBSFLKMASA-N 316.409 -0.130 30 20 DBED CN(C[C@@H]1CCN1Cc1nnn(C)n1)C(=O)c1ccc(C#N)[nH]1 1085553605 QRHKTPLVACLATC-NSHDSACASA-N 314.353 -0.244 30 20 DBED C#CCCN1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@H]1CC 1087578215 IMXROFVGTPYHAL-NWDGAFQWSA-N 318.381 -0.631 30 20 DBED CC1(C)C[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)CCN(CC#N)C1 1089506006 JBSAIUUPGAFGED-MNOVXSKESA-N 321.381 -0.285 30 20 DBED CO[C@H](C(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1O)C1CC1 1090413823 ZELATKQTYWTXIM-BZPMIXESSA-N 317.349 -0.561 30 20 DBED C#CCN1CC[C@H](NC(=O)c2ccc3nc(O)[nH]c3n2)[C@H](O)C1 1090524358 ZBDFHRANIQFJDC-JOYOIKCWSA-N 315.333 -0.538 30 20 DBED CCc1c(C(=O)N[C@H]2CCN(CC#N)C[C@H]2O)nnn1CC 1090568874 IMJPKTNFCGPAIB-CMPLNLGQSA-N 306.370 -0.451 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2cnc(OC)nc2)[C@@H](O)C1 1090699232 VOUHZYILXMCDHB-OLZOCXBDSA-N 304.350 -0.327 30 20 DBED N#Cc1cnccc1N1C[C@H](O)[C@H](NC(=O)CCCC(N)=O)C1 1091113992 LHGPWNOETIDDDR-YPMHNXCESA-N 317.349 -0.725 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCN(c2cc(F)ncn2)C[C@@H]1O 1092164505 NCTNQXOLJFNCBU-NEPJUHHUSA-N 322.340 -0.289 30 20 DBED N#Cc1cccnc1N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CNC(N)=O 1092937470 FMMGNPRARJLCMF-UTUOFQBUSA-N 314.349 -0.153 30 20 DBED N#CCN1CC(OC2CCN(C(=O)[C@H]3CC[C@@H]3C(N)=O)CC2)C1 1093558116 ZZNSRYURSCBERZ-KBPBESRZSA-N 320.393 -0.287 30 20 DBED CNC(=O)NC(C)(C)C(=O)NCCNc1cncc(C#N)n1 1093673121 JFJUDZZAUJYNBP-UHFFFAOYSA-N 305.342 -0.416 30 20 DBED CC[C@H]1C[C@H](C(=O)NCCN=c2cc[nH]c(C#N)n2)CC(=O)N1 1094005652 RNTITDJOOFIOTM-QWRGUYRKSA-N 316.365 -0.397 30 20 DBED CCc1cc(CC(=O)NCCN=c2cc[nH]c(C#N)n2)n(C)n1 1094296118 SKRIBBAIABISQJ-UHFFFAOYSA-N 313.365 -0.163 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)[C@H]3CCCOC3)CC2=O)C1 1094711056 AFJXSLITUCSORZ-QWHCGFSZSA-N 305.378 -0.553 30 20 DBED COCC(=O)NCCC(=O)NCCCNc1cncc(C#N)n1 1094847349 QOABCFOOFLFWBZ-UHFFFAOYSA-N 320.353 -0.581 30 20 DBED CCN(CCCNC(=O)Cn1cncn1)c1nccnc1C#N 1095883513 MTCVLAHVPWSVHT-UHFFFAOYSA-N 314.353 -0.027 30 20 DBED Cc1cc(C#N)nc(N2CC[C@H](NC(=O)CNC(N)=O)C2)n1 1096322365 HGGSDVFOUZUGQK-VIFPVBQESA-N 303.326 -0.980 30 20 DBED C[C@@H](CC(N)=O)C(=O)N1CC[C@H](Nc2ccc(C#N)nn2)C1 1096973825 TUXOZMLMZFUEDR-ONGXEEELSA-N 302.338 -0.127 30 20 DBED Cc1cc(C#N)nc(N[C@H](C)CNC(=O)[C@@H]2COCCO2)n1 1097676932 WGEVWQIBBYSBME-PWSUYJOCSA-N 305.338 -0.011 30 20 DBED C[C@H](CNC(=O)[C@H]1CCNC(=O)C1)Nc1ccc(C#N)nn1 1097773633 IIDCARBYIGOXPH-ZJUUUORDSA-N 302.338 -0.209 30 20 DBED C[C@@H](CNC(=O)[C@@]1(C)CNC(=O)C1)Nc1ccc(C#N)nn1 1098153825 YPZMDPANGYUFAG-LKFCYVNXSA-N 302.338 -0.209 30 20 DBED Cc1cc(=N[C@@H](C)CNC(=O)[C@H]2CCNC2=O)c(C#N)c[nH]1 1098211144 GLSXLTDTLAPAIM-JQWIXIFHSA-N 301.350 -0.264 30 20 DBED CC(=O)N[C@@H](C)C(=O)N1CC[C@@H](CN=c2cc[nH]c(C#N)n2)C1 1098495893 FAKUTSOINNUAPD-JQWIXIFHSA-N 316.365 -0.445 30 20 DBED COC(=O)NCC(=O)N1CC[C@@H](CNc2ccc(C#N)nn2)C1 1098503908 ZDVIFQVEBNVQEN-JTQLQIEISA-N 318.337 -0.035 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)[C@H]1CNC(=O)N1)C[C@@H](C)O2 1098630543 HYTJKNPVSKYAET-CHWSQXEVSA-N 320.393 -0.617 30 20 DBED C#CCNCc1cn([C@H]2CCN(C(=O)c3cncnc3)C2)nn1 1098660104 XOMZPXXXHSKRLG-AWEZNQCLSA-N 311.349 -0.122 30 20 DBED C[C@H](CCNC(=O)[C@@H]1COC(=O)N1)Nc1cnc(C#N)cn1 1099077359 MHKAWSGNZNXDHP-SCZZXKLOSA-N 304.310 -0.237 30 20 DBED CN1CC[C@@H](C(=O)N2C[C@@H](NCC#N)[C@H](C(F)(F)F)C2)C1=O 1099294257 HUUQHWBKJHGVDO-OPRDCNLKSA-N 318.299 -0.033 30 20 DBED C=CCCC(=O)N[C@H]1CCN(CCS(C)(=O)=O)C[C@H]1O 1099727312 OINZGWWXHGTZHA-NWDGAFQWSA-N 304.412 -0.451 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(CCOCCOC)C[C@@H]1O 1099739043 WCTOKKFIAJKEJY-KGLIPLIRSA-N 316.398 -0.597 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CCN(CC(=O)N2CCCC2)C[C@H]1O 1099823566 FMGACBMOPLUKIZ-HUUCEWRRSA-N 319.405 -0.426 30 20 DBED C=CC(C)(C)CC(=O)N[C@@H]1CCN(Cc2nnnn2C)C[C@@H]1O 1099850833 RPHNPDXVCNXQDQ-NEPJUHHUSA-N 322.413 -0.136 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)c2ccnnc2)[C@H](O)C1 1100014036 XBHKCYYWIKVWJL-ZIAGYGMSSA-N 306.366 -0.156 30 20 DBED CC#CCN1CC[C@H](NC(=O)CCC(=O)NCCC)[C@@H](O)C1 1100078052 CKJYZVJXGWQGFG-KBPBESRZSA-N 309.410 -0.133 30 20 DBED CN(CCNC(=O)C[C@@H]1CCC(=O)NC1)c1cnc(C#N)cn1 1100182811 TVSGEVXLRCTJPW-NSHDSACASA-N 316.365 -0.183 30 20 DBED C[C@@H](C#N)C(=O)NCC1CC(NCc2nnc3n2CCOC3)C1 1100191657 SQOVPZKZBGWKBS-UNXYVOJBSA-N 318.381 -0.048 30 20 DBED CC(=O)N[C@H](C)C(=O)NC[C@@H]1CCCN1c1cncc(C#N)n1 1100776819 RSBDZFDTWYLMAB-MFKMUULPSA-N 316.365 -0.042 30 20 DBED COC(=O)NCC(=O)NC[C@H]1CCN(c2cncc(C#N)n2)C1 1100948341 NLCSCPRNZIQFDA-SNVBAGLBSA-N 318.337 -0.353 30 20 DBED C[C@@H](C(N)=O)N1C[C@@H]2CN(C(=O)CSCC#N)C[C@]2(C)C1 1101135097 HAYVSIQOCPXUHT-WDMOLILDSA-N 310.423 -0.103 30 20 DBED CC(=O)N[C@H](C)C(=O)NCCN(c1ccnc(C#N)n1)C1CC1 1101274035 LVEQALQBUKIQJR-SNVBAGLBSA-N 316.365 -0.042 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)CCN1CCOCC1 1101684663 AXKFWHGAWYCJLR-UHFFFAOYSA-N 318.381 -0.637 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1CNC(=O)C[C@H]1CCCO1 1101759401 PDOOLGXHDKYKKT-MGPQQGTHSA-N 322.409 -0.121 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)C[C@H]1CCNC1=O 1101823302 WKECPGSOWQOSHH-SNVBAGLBSA-N 302.338 -0.833 30 20 DBED CN(CCNc1ccc(C#N)nc1)C(=O)[C@@H]1CC(=O)NC(=O)N1 1101989801 RPODLBSLVFMUOU-NSHDSACASA-N 316.321 -0.578 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)c2cnco2)C1 1102200208 QYGIPYYNJNDGCW-VXGBXAGGSA-N 304.350 -0.278 30 20 DBED C#CCN1C[C@@H](C)[C@H](CCNC(=O)CS(=O)(=O)N(C)C)C1 1103684586 OOVXWPPTUZWKIK-CHWSQXEVSA-N 315.439 -0.415 30 20 DBED C#CCN[C@@H]1C[C@@]2(C[C@H]1O)CN(C(=O)CC(=O)NC)[C@@H]2C(C)C 1105622802 IGEMJFQSWDZCFL-BQGCOEIASA-N 321.421 -0.278 30 20 DBED C#CCN1CC(OC2CCN(C(=O)CNC(=O)OC)CC2)C1 1105691465 PUCYIJYOVGFVDK-UHFFFAOYSA-N 309.366 -0.333 30 20 DBED COCCOCC(=O)NC[C@H](O)CNc1ccc(C#N)nc1 1105774403 RPSSJGHODIVJTR-CYBMUJFWSA-N 308.338 -0.495 30 20 DBED N#Cc1nc(=NC[C@@H](O)CNC(=O)CCc2ncc[nH]2)cc[nH]1 1105804566 VQOZCJAIVQYQKL-SNVBAGLBSA-N 315.337 -0.985 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H](O)CNc2nccnc2C#N)nc1 1105908336 NZTNGXIXFNLIAY-LBPRGKRZSA-N 322.328 -0.073 30 20 DBED C#CCOCCC(=O)NC[C@@H](O)CNc1nc(C)cc(OC)n1 1105966901 RDOCDAPNPJXAQC-GFCCVEGCSA-N 322.365 -0.277 30 20 DBED C=CCNC(=O)[C@H](C)NC[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1C 1105968593 OGOBVKPKZIRLBA-GRYCIOLGSA-N 310.398 -0.763 30 20 DBED N#Cc1cnc(NC[C@@H](O)CNC(=O)[C@H]2CCNC2=O)c(F)c1 1106051244 CQBSZGAFENZZGO-ZJUUUORDSA-N 321.312 -0.883 30 20 DBED CO[C@H](CC(C)C)C(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1 1106082547 ZJYYOVNPTGVACG-VXGBXAGGSA-N 321.381 -0.280 30 20 DBED C[C@@H]1CN(C(=O)CCNS(C)(=O)=O)C[C@H]1CNCC#N 1106203072 JPHVRTKOUZCQDC-GHMZBOCLSA-N 302.400 -0.867 30 20 DBED C[C@@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)C(=O)NCC1CC1 1106417618 VFRRMOXNEYQFPQ-JTQLQIEISA-N 316.365 -0.397 30 20 DBED C[C@H](CCNc1nccnc1C#N)NC(=O)C1CS(=O)(=O)C1 1106459815 ZRQHXFVABSVFNQ-SECBINFHSA-N 323.378 -0.300 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1C 1106761732 SXNORAZLVBRXER-CHWSQXEVSA-N 305.382 -0.237 30 20 DBED CCN(CCNc1nccnc1C#N)C(=O)[C@@H]1CNC(=O)N1 1106927951 CHTHQHOIBARRRK-JTQLQIEISA-N 303.326 -0.710 30 20 DBED N#Cc1cnc(NC/C=C/CNC(=O)[C@@H]2COC(=O)N2)cn1 1107175486 LSYFYBLKTWCJTG-YOLVWIGZSA-N 302.294 -0.459 30 20 DBED CCN(C)C(=O)CN1CCO[C@](C)(CNC(=O)[C@H](C)C#N)C1 1107819735 UIYXQOSHAYCRGF-IUODEOHRSA-N 310.398 -0.169 30 20 DBED Cc1cc(=O)c(C(=O)N[C@H](C)CN=c2cc[nH]c(C#N)n2)c[nH]1 1107911561 UVWUUBKYAYXBKW-SNVBAGLBSA-N 312.333 -0.003 30 20 DBED C=CCOCCN1CCO[C@](C)(CNC(=O)c2ncn(C)n2)C1 1107920556 VWSNUQQYWRQZCB-OAHLLOKOSA-N 323.397 -0.162 30 20 DBED COCC#CCN1CCO[C@](C)(CNC(=O)Cc2cnc[nH]2)C1 1108244401 KKMSFEJYPCZBKL-MRXNPFEDSA-N 320.393 -0.191 30 20 DBED COCC#CCN1CC(N2C[C@@H](NC(=O)CC3CC3)CC2=O)C1 1108493012 DAFUKSKUPITOLS-AWEZNQCLSA-N 319.405 -0.162 30 20 DBED C=C(C)C(C)(C)C(=O)N[C@@H]1CC(=O)N(C2CN(CCO)C2)C1 1108561312 WSBFXNFGDWITAY-GFCCVEGCSA-N 309.410 -0.018 30 20 DBED Cn1ncc(C(=O)N(CCO)CCN=c2cc[nH]cc2C#N)n1 1111484610 KIAHHPRMNAAWAC-UHFFFAOYSA-N 315.337 -0.950 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCC[C@]2(NC(=O)c2cc[nH]n2)C1 1111597833 DFVUZXNXOLESSH-LRDDRELGSA-N 315.377 -0.257 30 20 DBED C#CCN[C@@H]1CN(C(=O)CNC(=O)OC)C[C@H]1C(F)(F)F 1112057835 OUVIOYNELOJEKQ-RKDXNWHRSA-N 307.272 -0.046 30 20 DBED CN(CCCN(C)c1ccc(C#N)nn1)C(=O)[C@H]1C[C@H]1C(N)=O 1112176579 MTPCFMXKZSDRHK-NEPJUHHUSA-N 316.365 -0.246 30 20 DBED C[C@H]1C[C@@H](NC(=O)CNC(N)=O)CCN1c1nccnc1C#N 1112456856 DLNFARXQKUSQSC-UWVGGRQHSA-N 317.353 -0.510 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CCN(c2ccnc(C#N)n2)[C@@H](C)C1 1112470639 XXWVVSMCQMWRER-WDEREUQCSA-N 316.365 -0.042 30 20 DBED COCCCC(=O)NC[C@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1112704823 IMEXTYCEMQOMNQ-AAEUAGOBSA-N 319.365 -0.312 30 20 DBED C=CCOCCCC(=O)N1CCN(Cc2nc(=O)n(C)[nH]2)CC1 1112754084 KXEKEARBRDCGII-UHFFFAOYSA-N 323.397 -0.265 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)c2ncccc2O)CC1 1112784180 VBAMDHBCKISNHU-LBPRGKRZSA-N 316.361 -0.317 30 20 DBED CNC(=O)CC(=O)NC1CC(CNc2cncc(C#N)n2)C1 1112830546 VOVNZWIDSJQKPK-UHFFFAOYSA-N 302.338 -0.209 30 20 DBED Cc1ccn(C)c1C(=O)NC1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]12 1114187606 YKAGFKXGYCMBKD-VXGBXAGGSA-N 315.377 -0.367 30 20 DBED N#CCN1C[C@H]2[C@H](NC(=O)CS(=O)(=O)C3CCCC3)[C@H]2C1 1114480545 PYZRSSUACLMMQT-IMRBUKKESA-N 311.407 -0.086 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)c3cc(C(N)=O)co3)[C@H]2C1 1114824947 YHYXPZDEHFNDKH-IMRBUKKESA-N 317.345 -0.312 30 20 DBED C[C@H](CN(C)C(=O)CCn1cnnn1)Nc1cnc(C#N)cn1 1115808470 FZOLJFITNODWNM-SNVBAGLBSA-N 315.341 -0.316 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)NCC[S@@](=O)C(C)(C)C 1117529210 TZIMDVKSJQYTLF-CFMSYZGJSA-N 304.412 -0.033 30 20 DBED Cc1ccc(C#N)c(N[C@H](CO)CNC(=O)CCCC(N)=O)n1 1121712364 XIWPPCUVSIWHBL-LBPRGKRZSA-N 319.365 -0.194 30 20 DBED C=CC(C)(C)C(=O)NC[C@H](CO)Nc1nccn2nnnc12 1122310215 LDWWLOIKKGMOQD-SECBINFHSA-N 305.342 -0.380 30 20 DBED Cc1nc(N[C@H](CO)CNC(=O)[C@@H](C)CC(N)=O)ccc1C#N 1122357090 SIXPJHZWTIMOOH-CABZTGNLSA-N 319.365 -0.338 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)Cc2cnoc2)nn1 1122390159 AJVUQZRGTLEUKB-NSHDSACASA-N 302.294 -0.532 30 20 DBED CC(=O)NCC(=O)N[C@H]1CC[C@H](CN=c2cc[nH]c(C#N)n2)C1 1123710009 GUVVIAQXHYWDNJ-RYUDHWBXSA-N 316.365 -0.397 30 20 DBED Cc1nsc(NC[C@@H](O)CN(C)C(=O)CC(N)=O)c1C#N 1124199778 CTCMLHHZUJIKJI-MRVPVSSYSA-N 311.367 -0.570 30 20 DBED CN(C[C@H](O)CNc1ncc(C#N)cc1F)C(=O)c1cnn[nH]1 1124896361 MLACKUAMZYBEGB-SECBINFHSA-N 319.300 -0.245 30 20 DBED C=CCNC(=O)CNCCNC(=O)COCc1cc(C)no1 1130118082 MMTRSDCMXHOMDX-UHFFFAOYSA-N 310.354 -0.492 30 20 DBED COCC#CCN1C[C@@H](OC)C[C@H]1c1n[nH]c(CNC(C)=O)n1 1130253778 PDLLLIWOOHBHLJ-STQMWFEESA-N 321.381 -0.148 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H](C)O[C@@]2(CCN(CC#C)C2)C1 1131654301 YVOCQMJSCAPYMF-WMLDXEAASA-N 317.389 -0.549 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CC[C@@H](C)N(CC#CCOC)C1 1131979908 DKOKWBJYEZSCHH-HUUCEWRRSA-N 319.405 -0.255 30 20 DBED Cc1ccn([C@@H](C)CC(=O)NCCNCC(=O)NCC#N)n1 1132320452 FBAYGPUNAQXQME-LBPRGKRZSA-N 306.370 -0.512 30 20 DBED N#CCNC(=O)CNCCNC(=O)Cc1cccc(F)c1F 1134400346 LDMHASJGEAARBI-UHFFFAOYSA-N 310.304 -0.147 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)c1csnn1 1135101785 RCNHQSNDWAUEJA-UWVGGRQHSA-N 309.395 -0.226 30 20 DBED C[C@@H](C[C@H](C)NC(=O)c1ccc(O)nc1)NCC(=O)NCC#N 1136075083 ROCYQDQDBWEYPA-QWRGUYRKSA-N 319.365 -0.087 30 20 DBED CC#CCN[C@@H](C)C[C@H](C)NC(=O)CNC(=O)Cn1cncn1 1146561854 KSKBUGLTLLBIDI-STQMWFEESA-N 320.397 -0.710 30 20 DBED C#CCOc1ncccc1C(=O)NCCNCC(=O)NCC 1148302750 VPCZDNXVIPQOMZ-UHFFFAOYSA-N 304.350 -0.451 30 20 DBED C#CCNC(=O)CN1CCCO[C@H](CNC(=O)[C@H]2CCCO2)C1 1149090797 VTKPZXGSYGHJEO-ZIAGYGMSSA-N 323.393 -0.878 30 20 DBED CCN(CC#N)[C@H](C)CNC(=O)C1CC2(C1)NC(=O)NC2=O 1155764185 NMWDTGVDRFFPDF-NAUIOFCNSA-N 307.354 -0.675 30 20 DBED N#Cc1ccc(C(=O)NCCCN[C@H]2CCC(=O)NC2=O)[nH]1 1156691933 XUNIQJUJRYQQTK-JTQLQIEISA-N 303.322 -0.599 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@@H]1CC[C@H]2CCCCN12 1160867934 IZYXYKMZYNNOLR-CABCVRRESA-N 320.437 -0.151 30 20 DBED CCCOCC(=O)NCCC1(CNCC(=O)NCC#N)CC1 1163693601 IJAXLIMUVSIABP-UHFFFAOYSA-N 310.398 -0.071 30 20 DBED C=C(C)CNCC1(CCNC(=O)CS(=O)(=O)NC)CC1 1168205020 WDJMUQXLIKDNCA-UHFFFAOYSA-N 303.428 -0.012 30 20 DBED C#CCNC(=O)CNCCCC[C@H](C)NC(=O)[C@H](C)NC(C)=O 1168992108 JGZBONNUUVUJJE-STQMWFEESA-N 324.425 -0.475 30 20 DBED C[C@@H](CCCCNCC(=O)NCC#N)NC(=O)c1cn[nH]c1 1169377625 WZYJIROXKSHBCQ-NSHDSACASA-N 306.370 -0.072 30 20 DBED COCC#CCNCCCNC(=O)CC(=O)NCC(F)(F)F 1169621840 XROBCCJWYCTWRH-UHFFFAOYSA-N 323.315 -0.199 30 20 DBED C=CCOCCNCCCNC(=O)Cn1nc(C)ccc1=O 1171709599 FADVHNWYYWVMNL-UHFFFAOYSA-N 308.382 -0.150 30 20 DBED C=CCNC(=O)CNCCCC[C@H](C)NC(=O)C1(C(N)=O)CC1 1174995769 BDFVXROCPUFFCQ-LBPRGKRZSA-N 324.425 -0.181 30 20 DBED C#CCOCCC(=O)N1CC[C@H]2OCCN(CC(=O)NC)[C@H]2C1 1177011950 HGWONGIKGIEADB-UONOGXRCSA-N 323.393 -0.926 30 20 DBED CC(C)C#CC(=O)N1CC[C@@H]2OCCN(CCOCCO)[C@@H]2C1 1177020440 ZKBNDAUFJJVVQC-CVEARBPZSA-N 324.421 -0.044 30 20 DBED C#CCNC[C@@H]1C[C@H]2CC[C@H]1N(C(=O)C1CC(=O)NC(=O)C1)C2 1177908502 YQAZCJYJPAROHA-KWCYVHTRSA-N 317.389 -0.111 30 20 DBED COCC#CCN[C@H]1CCN(C(=O)CS(C)(=O)=O)[C@H]1C 1178233798 BKLNYMSEZBJULP-RYUDHWBXSA-N 302.396 -0.740 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@H]2CN(CC(=O)NC3CC3)C[C@H]21 1187882174 KDTFAANDOZKWFY-VNHYZAJKSA-N 319.405 -0.164 30 20 DBED CN(Cc1nnn(C)n1)[C@@H]1CCN(C(=O)CSCC#N)C1 1188959353 RIVSCVFNSSDOJV-SNVBAGLBSA-N 309.399 -0.500 30 20 DBED CCO[C@@H](CC)C(=O)N1CC[C@H](N(C)CC(=O)NCC#N)C1 1189188085 GCXUPCYJUKJTDQ-STQMWFEESA-N 310.398 -0.026 30 20 DBED C#CCN1C[C@@H]2CCN(C(=O)CCCN3C(=O)CNC3=O)[C@@H]2C1 1190108708 XSVLUQXLLOFQMY-QWHCGFSZSA-N 318.377 -0.516 30 20 DBED C=C(C)[C@H](CC(=O)N[C@@H]1CN(CC(=O)NC)C[C@H]1O)OCC 1193422691 VZAUQRKPHVXQRM-UPJWGTAASA-N 313.398 -0.735 30 20 DBED CC(=O)NC1(C(=O)N[C@@H]2CN(CC#N)C[C@H]2O)CCCCC1 1194226803 DRNZENCQMPBRFR-CHWSQXEVSA-N 308.382 -0.490 30 20 DBED C=CCNC[C@H]1CN(C(=O)[C@H](C)NC(=O)COC)CCCO1 1200581786 GJYJFYHCUSBOJZ-STQMWFEESA-N 313.398 -0.469 30 20 DBED C#CCCNC[C@H]1CN(C(=O)[C@H]2CC(=O)N(C)C2)CCCO1 1200626918 DZOAKVBCHAGLQC-KBPBESRZSA-N 307.394 -0.305 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)[C@@H]2C[C@H]3C=C[C@H]2O3)CC1 1201320870 APYQKFBGWDAMOK-RBSFLKMASA-N 317.389 -0.340 30 20 DBED C=CCOCCNC[C@H]1CN(C(=O)Cc2nc[nH]n2)CCCO1 1201834636 ZXOTUENZSSTHNV-ZDUSSCGKSA-N 323.397 -0.243 30 20 DBED CNS(=O)(=O)CCC(=O)N[C@H]1C[C@@H](NCC#N)C12CCC2 1202930420 UVPHAODHRCXDCK-MNOVXSKESA-N 314.411 -0.534 30 20 DBED CCOCCC(=O)N1CCC(CNCC(=O)NCC#N)CC1 1204759246 YWLVNMPXERJVDS-UHFFFAOYSA-N 310.398 -0.119 30 20 DBED C=CCNC(=O)CNCC1CCN(C(=O)c2cn(C)nn2)CC1 1205158613 KPNHZZQXPPYLPJ-UHFFFAOYSA-N 320.397 -0.441 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)[C@@H]2CCCOCC2)[C@H](C)C1 1206910535 YKJKJKSULIUUFO-RBSFLKMASA-N 321.421 -0.011 30 20 DBED COCC#CCN1C[C@@H](NC(=O)c2cc3n(n2)CCO3)[C@H](C)C1 1207557725 FKGIBVVBAYZVNF-TZMCWYRMSA-N 318.377 -0.025 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H](NCCCN2C(=O)CNC2=O)C1 1207692428 HOXRVVWLEPJGPJ-RYUDHWBXSA-N 321.381 -0.331 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCN(C(=O)c2cnnc(O)c2)C1 1208381587 UBOXRQXGISFLFV-LLVKDONJSA-N 318.337 -0.984 30 20 DBED COCC#CCN[C@@H]1CCCN(C(=O)CN2C(=O)CCC2=O)C1 1211007543 BQZUMBKMJMHYRH-CYBMUJFWSA-N 321.377 -0.634 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)c2ccc[nH]2)[C@H](OC)C1 1211842035 LZPVBLHSGFSGOK-IACUBPJLSA-N 318.377 -0.418 30 20 DBED C=C(Cl)CN1C[C@@H](NC(=O)CCNC(=O)NC)[C@H](OC)C1 1212216150 CWNYWKUMGDVEMM-GHMZBOCLSA-N 318.805 -0.127 30 20 DBED C=C(C)CN1C[C@@H](NC(=O)CN(C)C(=O)COC)[C@H](OC)C1 1212361576 WBBLMVUSPDNYOG-CHWSQXEVSA-N 313.398 -0.517 30 20 DBED C=C(Cl)CN1C[C@@H](NC(=O)CCn2cnnn2)[C@H](OC)C1 1213614265 QFFILNDFFKZJQT-GHMZBOCLSA-N 314.777 -0.369 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)Cc2cc[nH]n2)C[C@H]1C 1214378322 ZBZUPFSMNQXWOC-DGCLKSJQSA-N 305.382 -0.309 30 20 DBED C[C@@H]1CN(C(=O)CCCN2C(=O)CNC2=O)C[C@H]1NCC#N 1216724969 YLDCSYSGFMOQJP-GHMZBOCLSA-N 307.354 -0.722 30 20 DBED CCCCn1nnnc1CN1C[C@H](O)[C@H](NC(=O)[C@@H](C)C#N)C1 1219381540 VSIQIAXZFWOVIT-TUAOUCFPSA-N 321.385 -0.706 30 20 DBED C[C@@H](OCc1ccncc1)C(=O)N[C@@H]1CN(CC#N)C[C@@H]1O 1220385840 RJQHCNRNPIZJEK-BNOWGMLFSA-N 304.350 -0.328 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](NC(=O)COCc2nncn2C)C1 1220661499 VXBUWKOGLSDHCC-OLZOCXBDSA-N 323.397 -0.541 30 20 DBED Cn1cc(C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NCC#N)cn1 1224715783 DKOYJFXGMSULRU-CHWSQXEVSA-N 318.381 -0.310 30 20 DBED Cc1ccc(=O)n(CC(=O)NCC2CCN(CC#N)CC2)n1 1225237912 PEVRCKKPYQGEHC-UHFFFAOYSA-N 303.366 -0.097 30 20 DBED COCC#CCN1CCC(NC(=O)[C@H]2CCNC(=O)C2)CC1 1226868232 YDNJKPIACHFJPZ-ZDUSSCGKSA-N 307.394 -0.257 30 20 DBED O=C(C#CC1CC1)NC1CCN([C@H]2CCC(=O)NC2=O)CC1 1227298682 COFSPOWKGUUBBF-ZDUSSCGKSA-N 303.362 -0.214 30 20 DBED COCC#CCN[C@@H]1CCCC[C@H]1NC(=O)CCNC(N)=O 1230095129 ZSZVASIYAMSUPO-CHWSQXEVSA-N 310.398 -0.288 30 20 DBED CNC(=O)[C@@H](C)NC(=O)C(=O)Nc1cccc(OCC#N)c1 1252684168 CRTZLUVSQVJZFI-SECBINFHSA-N 304.306 -0.222 30 20 DBED C#CCOCCNC(=O)C(=O)N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1260309057 CWSMAOOLALKIIB-WOSRLPQWSA-N 324.377 -0.453 30 20 DBED COCCNCCNC(=O)C(=O)N1CCc2ccc(C#N)cc21 1261371494 QEOWZOZOTOTRPE-UHFFFAOYSA-N 316.361 -0.200 30 20 DBED CC1(CO)CCN(C(=O)C(=O)N2CCN(CCC#N)CC2)CC1 1261863602 FUDIVXXHNRWJQH-UHFFFAOYSA-N 322.409 -0.335 30 20 DBED N#C[C@H]1COCCN1C(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 1319073534 SHPRVQXXIUZDJJ-VIFPVBQESA-N 300.274 -0.419 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N[C@H](C)[C@@H](C)N1CCOCC1 1322776445 ITFISVJVVBAKCY-HUUCEWRRSA-N 319.405 -0.303 30 20 DBED C=CC1CCN(C(=O)C(=O)NCCCN2C(=O)CNC2=O)CC1 1322839095 XASTZRMOOIMSQM-UHFFFAOYSA-N 322.365 -0.531 30 20 DBED C=CCCOCCNC(=O)C(=O)N1CC[C@H](S(C)(=O)=O)C1 1323439954 JJOXFBFHYUAXJD-NSHDSACASA-N 318.395 -0.659 30 20 DBED C#C[C@@H](NC(=O)C(=O)NCCC(=O)NC(C)(C)C)[C@@H]1CCCO1 1324350676 SJIDBIIZQPURJP-NEPJUHHUSA-N 323.393 -0.296 30 20 DBED CC(C)NC(=O)CCNC(=O)C(=O)Nc1ccc(C#N)cn1 1326266891 NBXOSTMORBPJJV-UHFFFAOYSA-N 303.322 -0.077 30 20 DBED CN(C)C[C@](C)(C#N)NC(=O)Cn1[nH]cc2c(=O)ncnc1-2 1327220713 DZMKACCLHIYAEW-ZDUSSCGKSA-N 303.326 -0.969 30 20 DBED CN1CCN(C)[C@H](CNC(=O)C(=O)Nc2sccc2C#N)C1 1327827550 QVJLJNIXZJVBDY-LLVKDONJSA-N 321.406 -0.080 30 20 DBED COCC#CC(=O)NC[C@H]1CCCC[C@H]1NS(C)(=O)=O 1328688554 SMLVWKUSUIPRQP-VXGBXAGGSA-N 302.396 -0.140 30 20 DBED O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)N[C@H]1C=CCC1 1330468813 TXAXTIDWOQWRIF-ZFEMDRMUSA-N 318.333 -0.536 30 20 DBED N#CCCCNC(=O)C(=O)NC1CCN(c2cccnn2)CC1 1342752046 OQDFUOIQDJSIGX-UHFFFAOYSA-N 316.365 -0.018 30 20 DBED C#CCOCCNC(=O)C(=O)NC[C@H]1CSCCS1 1346391219 LVBVCFMFGPIOMA-JTQLQIEISA-N 302.421 -0.283 30 20 DBED N#CCNC(=O)CNC(=O)C(=O)Nc1ccc(C#N)c(F)c1 1347352048 RASHZMZGMUWWOY-UHFFFAOYSA-N 303.253 -0.608 30 20 DBED C=CCN(C(=O)C(=O)N[C@H](C)C[S@@](C)=O)[C@@H](C)COC 1347587151 NJGFNESRFAPQTG-QZXWKGOOSA-N 304.412 -0.081 30 20 DBED C=CCCOCCNC(=O)C(=O)N1CC[C@H]2NC(=O)CC[C@H]2C1 1350802188 KLRTUFMMMBPUGY-QWHCGFSZSA-N 323.393 -0.178 30 20 DBED C#CC1(O)CCN(C(=O)NCCS(=O)(=O)N(C)C)CC1 1351165907 RAGYIUHYPVPEMY-UHFFFAOYSA-N 303.384 -0.953 30 20 DBED C=CCOCCn1nnnc1N1CCO[C@H](CNC(C)=O)C1 1352362342 LKQWMQVCKYUYJW-GFCCVEGCSA-N 310.358 -0.783 30 20 DBED C=CCNC(=O)Cn1nnnc1N1CCC[C@@H](OCCOC)C1 1355581611 HYORACLKCAVJIH-GFCCVEGCSA-N 324.385 -0.393 30 20 DBED N#C[C@H]1CN(C(=O)CCc2nc(-c3nc[nH]n3)no2)CCO1 1362062936 YSRLQMPLDHXRLP-QMMMGPOBSA-N 303.282 -0.462 30 20 DBED CC[C@]1(O)CCCN(C(=O)Cn2cc(C#N)c(O)nc2=O)C1 1362760716 QLRVGWRZVLAQNL-AWEZNQCLSA-N 306.322 -0.416 30 20 DBED CN(C[C@H](O)CNC(=O)c1cc(C#N)c[nH]1)C(=O)c1cocn1 1370984341 MCCXDQSRJRGSHW-SNVBAGLBSA-N 317.305 -0.263 30 20 DBED COCC(=O)N(C)CC(=O)N1CCCN(C(=O)[C@@H](C)C#N)CC1 1385322819 WRNDTLWBPZQCQD-LBPRGKRZSA-N 324.381 -0.688 30 20 DBED Cc1cc(C)n(CC(=O)N[C@H](C)CNC(=O)[C@@H](C)C#N)c(=O)n1 1386454298 CACCDJZKQTZNAK-GXSJLCMTSA-N 319.365 -0.359 30 20 DBED CCN(CCNC(=O)c1cnn(C)n1)C(=O)c1cc(C#N)c[nH]1 1398111131 DFOBMPBRBORBAL-UHFFFAOYSA-N 315.337 -0.093 30 20 DBED CCC(=O)NCC(=O)N1CC2(CCN(C(=O)[C@@H](C)C#N)C2)C1 1405996893 MFTGMJWHFCSJFJ-NSHDSACASA-N 306.366 -0.267 30 20 DBED COCCn1cc(C(=O)NCC[C@@H](C)NC(=O)[C@@H](C)C#N)nn1 1415388649 ISIVLRDCALKXBZ-WDEREUQCSA-N 322.369 -0.291 30 20 DBED CCCN1C[C@H](C(=O)N2CC(CNC(=O)[C@@H](C)C#N)C2)CC1=O 1416122934 XYNBJSDYFQNJTR-WCQYABFASA-N 320.393 -0.021 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)CCNC(N)=O 1430059968 VBXHMALEOOSJTI-GARJFASQSA-N 307.354 -0.594 30 20 DBED C[C@H](C#N)C(=O)NCC1CN(C(=O)c2cnc3[nH]nnc3c2)C1 1430431690 OQZVUVYYHULISZ-MRVPVSSYSA-N 313.321 -0.299 30 20 DBED CC[C@H](CNC(=O)CCS(C)(=O)=O)NC(=O)[C@@H](C)C#N 1430637572 UTIPCRHUEGPPFQ-VHSXEESVSA-N 303.384 -0.408 30 20 DBED C=C(Cl)CNC[C@H](O)CNC(=O)[C@@H]1CCCS1(=O)=O 1439064590 WXLXUPAMNYKUNP-UWVGGRQHSA-N 310.803 -0.617 30 20 DBED CNC(=O)NCC(=O)NC1CCC(NC(=O)[C@H](C)C#N)CC1 1447740869 LFJTYWLTZCJNNT-KPPDAEKUSA-N 309.370 -0.381 30 20 DBED CCCN(CCNC(=O)CS(C)(=O)=O)C(=O)[C@@H](C)C#N 1449691868 ZLBBNVIBISMVSY-JTQLQIEISA-N 303.384 -0.455 30 20 DBED C[C@@H](C#N)C(=O)NC1CCN(C(=O)CCn2ccnn2)CC1 1453750922 GQNBYZAZPHGYGH-NSHDSACASA-N 304.354 -0.065 30 20 DBED C[C@H](C#N)C(=O)NCCN(C)C(=O)C(C)(C)NS(C)(=O)=O 1496500090 FSFADCMHKRINDH-SECBINFHSA-N 318.399 -0.952 30 20 DBED C[C@H](C#N)C(=O)NC1CN(C(=O)CNC(=O)c2ccccn2)C1 1530618061 KOUUHJCOMPCRNE-SNVBAGLBSA-N 315.333 -0.702 30 20 DBED N#Cc1ccc(OC2CN(C(=O)CN3CCNC(=O)C3)C2)cc1 1548462806 WISGCBWBBPLXGM-UHFFFAOYSA-N 314.345 -0.420 30 20 DBED COC[C@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)C(=O)O 1573986615 ZZXTVHQQXYCRHY-NSHDSACASA-N 305.290 -0.496 30 20 DBED C=C(C)[C@@H]1OCC[C@H]1CNS(=O)(=O)C[C@H]1CNCCO1 1574832123 YCPZYOUQXNBZMG-XQQFMLRXSA-N 304.412 -0.125 30 20 DBED C#C[C@H]1COCCN1C(=O)C(=O)N[C@H]1C[C@H]2C[C@H](C(=O)O)C[C@@H]12 1588384118 VVFUGSBONJEZQE-SJHCENCUSA-N 320.345 -0.538 30 20 DBED CCN(C[C@H](C)C#N)C(=O)Cn1cnc(-c2nn[nH]n2)cc1=O 1590682095 AXMXFXJWAJGZHB-SECBINFHSA-N 316.325 -0.568 30 20 DBED N#CCn1cc(NC(=O)C(=O)N2CCO[C@H](CC(=O)O)C2)cn1 1601079442 XPGVNDIQAMGCEH-SNVBAGLBSA-N 321.293 -0.953 30 20 DBED C#CCN(C(=O)NC1CC(C(=O)O)C1)[C@@H]1CCS(=O)(=O)C1 1602711821 VPXJVIAERWAELC-VQXHTEKXSA-N 314.363 -0.319 30 20 DBED CCN(CCC#N)S(=O)(=O)N(CCC(=O)OC)CC(=O)O 1603736441 HDVXCJVXGCGIDE-UHFFFAOYSA-N 321.355 -0.584 30 20 DBED CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)NCc1ccc(C#N)cn1 1649887852 TZWSJLMAGFKMNF-VXGBXAGGSA-N 324.362 -0.436 30 20 DBED C#CCNC(=O)CN1CCC[C@H](NC(=O)COCC(F)F)C1 1690042374 HNIQGMYZROLKMF-NSHDSACASA-N 317.336 -0.402 30 20 DBED Cc1ccnc(C(=O)NC[C@@H]2CCCN2CC(=O)NCC#N)n1 1753104463 FQTPQSWSMCOVLN-LBPRGKRZSA-N 316.365 -0.381 30 20 DBED C=CCN1CC[C@@H](N2CC[C@@H](CCNC(=O)C(N)=O)C2)C1=O 1753334789 HJPADYWSFCHCTG-VXGBXAGGSA-N 308.382 -0.913 30 20 DBED C#CCO[C@@H](C)C(=O)NC1CN([C@H]2CCN(C3CCC3)C2=O)C1 1753377604 FIBHZBLBUQNUGZ-WFASDCNBSA-N 319.405 -0.022 30 20 DBED C#CCNC(=O)CNC[C@@H](C)CNC(=O)C12CCN(CC1)C2 1753638512 UKKMZJGWVXYBRF-CYBMUJFWSA-N 306.410 -0.827 30 20 DBED C=C(C)CCN1CCO[C@@H](CNC(=O)C[C@@H]2NC(=O)NC2=O)C1 1753654999 HSFDTBFYIWXTSJ-RYUDHWBXSA-N 324.381 -0.632 30 20 DBED C#CCNC(=O)CNC[C@@H](O)CNC(=O)C12CCC(CC1)C2 1753913699 ASXONMRLAYBNGC-MFOWVQHXSA-N 307.394 -0.617 30 20 DBED C=CCNC(=O)CNC[C@@H](C)NC(=O)[C@H]1CCc2c[nH]nc2C1 1754254384 ZDDPKTNHUNESEX-NEPJUHHUSA-N 319.409 -0.089 30 20 DBED N#CCNC(=O)CN1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 1754486524 PYKSYQHABQSLMI-QJPTWQEYSA-N 316.365 -0.657 30 20 DBED C#CCCN1CC(O)(CNC(=O)Cn2ccc(C)cc2=O)C1 1754775209 MLUHVVHOAWCDDH-UHFFFAOYSA-N 303.362 -0.657 30 20 DBED C=CCOCC(=O)N1CCC[C@H]1CN(C)CC(=O)NCC#N 1755188191 AIKYEEXURCHFKU-ZDUSSCGKSA-N 308.382 -0.248 30 20 DBED C=CCNC(=O)CN[C@@H](C)[C@H]1CN(C(=O)c2cnco2)CCO1 1755444460 LRBONLIWPBIQOR-WCQYABFASA-N 322.365 -0.204 30 20 DBED C=CCn1cc(C(=O)NC[C@@H](CO)NCC2CCOCC2)nn1 1755640206 GYLUEPVVZLKGQN-ZDUSSCGKSA-N 323.397 -0.429 30 20 DBED C#CCNC(=O)CN[C@@H]1C[C@H](C)N(C(=O)Cc2ccn(C)n2)C1 1755678899 PZDNFTJTWJSVGL-GXTWGEPZSA-N 317.393 -0.709 30 20 DBED C[C@@H](NC[C@H](O)CN(C)C(=O)C#CC(C)(C)C)C(=O)N(C)C 1755779084 COPFHRAVRBKHBR-OLZOCXBDSA-N 311.426 -0.079 30 20 DBED CCCC(=O)N1CCC[C@H](C(=O)N(C)C[C@H](O)CNCC#N)C1 1755795499 HANHBYVJKPZTFF-UONOGXRCSA-N 324.425 -0.042 30 20 DBED C=CCO[C@H](C)C(=O)NC[C@@H](O)CN(C)C(=O)C#CC1CC1 1756663748 XVFYBUSWSTZDQG-TZMCWYRMSA-N 308.378 -0.074 30 20 DBED C#CCCCC(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2cc[nH]n2)C1 1756987234 FJHMWCGCDMOAKI-CHWSQXEVSA-N 304.350 -0.556 30 20 DBED C[C@@]1(C(=O)O)CN(S(=O)(=O)c2cccc(C#N)n2)CCO1 1776507999 NDQPTKJVNCAMHM-LBPRGKRZSA-N 311.319 -0.183 30 20 DBED CN(C)CCN(CC(=O)O)S(=O)(=O)c1ccnc(C#N)c1 1777032014 KXTALHCMHSQGPE-UHFFFAOYSA-N 312.351 -0.410 30 20 DBED C[C@@H](S)C(=O)N1CC[C@]2(CN(C(=O)CN(C)C)CCO2)C1 1783889985 NKKZBYNKOHHPRT-RISCZKNCSA-N 315.439 -0.304 30 20 DBED CCC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CC#N)COC1 1795083114 BTHPHTSTGYBJSR-DABQJJPHSA-N 321.377 -0.084 30 20 DBED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)O)CCO2 1840029017 QDJCGYQWPLQODD-WFASDCNBSA-N 312.366 -0.600 30 20 DBED C=CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)CC(=O)NC)C2 1841608096 ZJICIKIIWAEEBS-GFCCVEGCSA-N 323.393 -0.083 30 20 DBED N#Cc1cccc(NC(=O)CCN2CCN(CC(N)=O)CC2)c1 171633147 YKYGNQCKFWRSKH-UHFFFAOYSA-N 315.377 -0.010 30 20 DBED Cc1nc2n(n1)C[C@@H](N/C(=N/C(C)C)NCC(=O)N(C)C)CC2 185513239 RDQPINMHRGVOLX-LBPRGKRZSA-N 321.429 -0.067 30 20 DBED C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCNC(=O)C1 266542520 LYHOQJHUVMLCTH-UHFFFAOYSA-N 319.292 -0.265 30 20 DBED COCCN1CCN(CC(=O)N(CCC#N)CCC#N)CC1=O 271097208 MIRRUEMLNYUKCT-UHFFFAOYSA-N 321.381 -0.567 30 20 DBED C=CCCOCCNC(=O)C(=O)N1CCOC[C@@H]1C[C@H](C)O 283762348 RSCDPFGGTVZYHT-STQMWFEESA-N 314.382 -0.306 30 20 DBED C[C@@H](CN(C)C)NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 291044385 ZHVWVIBMRAALGK-NSHDSACASA-N 324.406 -0.097 30 20 DBED CCN1CCOC[C@@H]1/C(O)=N/C[C@](C)(O)CN1CCOCC1 329040370 HZUGYYZAXOZWEK-HIFRSBDPSA-N 315.414 -0.253 30 20 DBED C[C@]1(C/N=C(/O)CN2CCN(S(C)(=O)=O)CC2)CCOC1 329891147 HKKBUWJQMBCPOB-CYBMUJFWSA-N 319.427 -0.053 30 20 DBED C[C@H](CNS(=O)(=O)N(C)C[C@@H](C)C#N)CN1CCOCC1 330384426 KMCUZBCXSBQDER-QWHCGFSZSA-N 318.443 -0.119 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)NCCC(=O)N1CCOCC1 336901269 BREQPDXBJPPCQP-LLVKDONJSA-N 318.399 -0.839 30 20 DBED CCN(CC)CCCNS(=O)(=O)N1CCO[C@H](C#N)C1 336908531 GNMJOEJKAXYNJH-GFCCVEGCSA-N 304.416 -0.223 30 20 DBED CNC(=O)[C@]1(C)CCN(S(=O)(=O)N(C)C[C@@H](C)C#N)C1 337129695 BJVKZNYSULENGW-CMPLNLGQSA-N 302.400 -0.219 30 20 DBED COCCN1CCN(S(=O)(=O)N(C)[C@H](C)CC#N)CC1=O 337765210 MGUBPFCUCGHIMX-LLVKDONJSA-N 318.399 -0.744 30 20 DBED CC(C)[C@H](C#N)N1CCN(C(=O)CN2C[C@@H](C)[C@@H](O)C2)CC1 341144235 MTPUFQVTQFUJBL-ILXRZTDVSA-N 308.426 -0.009 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H]1CS(=O)(=O)C[C@H]1C 341949371 HMFZPCSINRVHJA-OPRDCNLKSA-N 309.413 -0.655 30 20 DBED CC(C)(C)[C@H](C#N)NC(=O)CN1CCN(S(C)(=O)=O)CC1 346167207 XFXSLYXENMDOIP-NSHDSACASA-N 316.427 -0.382 30 20 DBED C=CCC[C@H](O)CN(CC)CC(=O)N[C@H]1CCS(=O)(=O)C1 351642758 GOYHYYOQEDNCSJ-STQMWFEESA-N 318.439 -0.061 30 20 DBED CS(=O)(=O)Nc1nnc(NC(=O)c2cc(C#N)c[nH]2)s1 359089321 QHARDWLYLPVHQM-UHFFFAOYSA-N 312.336 0.362 30 20 DBED Cc1c(C#N)cccc1NC(=O)C(=O)N1C[C@H](O)C[C@@H]1CO 372652347 IUIYWQKUPGOXTR-VXGBXAGGSA-N 303.318 -0.241 30 20 DBED Cn1c(N[C@@H]2CCO[C@@]3(CCOC3)C2)c(C#N)c(=O)n(C)c1=O 378415553 OJSMMUYMIAJQES-BMIGLBTASA-N 320.349 -0.294 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N1CCSC[C@H]1C(N)=O 407972219 FMCBRNXLKRJCGQ-IUCAKERBSA-N 306.413 -0.632 30 20 DBED COC(=O)N1CC(NC(=O)C(=O)Nc2cccc(C#N)n2)C1 497299045 HXCRDKYQZOQPGM-UHFFFAOYSA-N 303.278 -0.541 30 20 DBED N#Cc1ccccc1OC[C@@H](O)CN1C[C@@H](CO)[C@H](CO)C1 528599260 PFHGIUQDTBVLIK-KKUMJFAQSA-N 306.362 -0.169 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(S(=O)(=O)C2CC2)CC1 528606168 CXHMNKUNCDXUPG-LLVKDONJSA-N 301.412 -0.213 30 20 DBED CC[C@@H](NC[C@H](O)CN(C)CCC#N)C(=O)N1CCOCC1 591750402 XKAOFMKNDHHSDS-UONOGXRCSA-N 312.414 -0.580 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCOC[C@H]1C(=O)O 593269619 LGRDJZSRVRLBTI-UWVGGRQHSA-N 305.356 -0.502 30 20 DBED N#Cc1ccc(NCC(=O)N2CC[C@H]3NC(=O)CC[C@@H]3C2)nc1 598173037 RCDWQRGHNYOSBJ-CHWSQXEVSA-N 313.361 0.492 30 20 DBED CN(Cc1ccon1)C(=O)C(=O)N1CCN(CCC#N)CC1 601462452 AOSLPUUCFNINIY-UHFFFAOYSA-N 305.338 -0.309 30 20 DBED CC#CC[C@H](CO)NC(=O)c1nc(S(C)(=O)=O)ncc1C 616505390 LUDBXPZGXYFCOJ-SNVBAGLBSA-N 311.363 -0.307 30 20 DBED C#CCCCS(=O)(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)O 710384214 YDUUKDLHRDDOPS-SNVBAGLBSA-N 323.392 -0.697 30 20 DBED C#CCNC(=O)COC(=O)[C@H](C)N1C(=O)NC2(CCCC2)C1=O 726654309 MYPGARKQBGKOBX-JTQLQIEISA-N 321.333 -0.468 30 20 DBED CC(=O)c1[nH]c(CC(=O)OCC(=O)NCC#N)c(C(=O)O)c1C 736181547 XRGYVXFIWUSRIW-UHFFFAOYSA-N 321.289 -0.051 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)CCCC(=O)O)CCN1C1CC1 738421414 CSERNXYXWBJEIB-LLVKDONJSA-N 301.368 -0.147 30 20 DBED N#CCN(CC(=O)O)S(=O)(=O)c1cccc(-n2cnnn2)c1 739087140 WFCLXPNGOMPBJN-UHFFFAOYSA-N 322.306 -0.739 30 20 DBED COc1ccc(C(N)=NOCC(=O)N[C@@H](C)C(=O)N(C)C)cc1 762692216 PRZQIXICYJPXJS-JTQLQIEISA-N 322.365 -0.075 30 20 DBED C#CCOCCC(=O)OCCc1c(C)nc2nc[nH]n2c1=O 777354882 HDXVJUYHFYHVSP-UHFFFAOYSA-N 304.306 -0.148 30 20 DBED N#Cc1ccc(CNC(=O)NCCN2C(=O)CCC2=O)nc1 780458503 ALMZQAWMXKWPOB-UHFFFAOYSA-N 301.306 -0.099 30 20 DBED COC[C@H](C#N)OC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 785037027 FGIHAKSCZAXMKV-JTQLQIEISA-N 311.319 -0.434 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)NCc2cn3ccccc3n2)CCO1 799998859 NICFBRBQMTXMGJ-GFCCVEGCSA-N 321.362 -0.107 30 20 DBED C=C[C@H](O)C(=O)O[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)C(C)C 814544604 MYLBIDALXHEWHO-DCAQKATOSA-N 319.379 -0.596 30 20 DBED C#CCCN(CCOC)C(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1OC 821141501 QGQHGVICSAHILA-NEPJUHHUSA-N 318.395 -0.520 30 20 DBED C[C@@H](CN)NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 834605314 OXWGXNYHVRNNID-ZJUUUORDSA-N 324.406 -0.033 30 20 DBED COCCNCCNC(=O)NCCNc1ccc(C#N)cn1 841700947 OWZFYHVZKXCATP-UHFFFAOYSA-N 306.370 -0.100 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@H]1CC[C@@H](C(=O)O)C1)[C@@H]1CCCO1 843257441 PDGNNCMBNNSVES-RHYQMDGZSA-N 308.334 -0.347 30 20 DBED C#CC1(O)CN(C(=O)c2cccc(S(=O)(=O)NCC=C)c2)C1 890520273 YHQGPKKPWDHMJF-UHFFFAOYSA-N 320.370 -0.029 30 20 DBED C#CC1(O)CN(C(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@H]32)C1 890521535 IXZXXIRJCRKQFA-NTZNESFSSA-N 323.418 -0.081 30 20 DBED C#CCNC(=O)[C@@H](C)OC(=O)CN(C)C(=O)[C@@H](C)n1cccn1 920546773 DMQWVCDGFRNWAT-VXGBXAGGSA-N 320.349 -0.416 30 20 DBED CCOC(=O)c1cc2n(n1)C[C@H](C)N(C(=O)NCC#CCO)C2 923759861 GJKQZTQMIGWMBC-NSHDSACASA-N 320.349 -0.031 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@H](NC(=O)Cn2cnnc2O)C1 937855396 ZWZCTOPZHTXUMQ-JTQLQIEISA-N 307.354 -0.087 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](NC(=O)c2nnn(C(C)(C)C)n2)C1 938077566 BKSSJPMDHHLZHS-ZJUUUORDSA-N 319.369 -0.082 30 20 DBED N#Cc1cc(C(=O)N2CC3(CCN(C(=O)C(N)=O)CC3)C2)c[nH]1 945029163 GZLZNOVCUBFLMC-UHFFFAOYSA-N 315.333 -0.564 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)[C@@H]1CCC(=O)N1C)CCO2 949162266 RYKBVPIMORDFJV-AWEZNQCLSA-N 319.405 -0.066 30 20 DBED C[C@@H](C#N)C(=O)N1CC(N(C)C(=O)[C@@H]2CCCS2(=O)=O)C1 954422459 RSCXWJVFVROGIN-ONGXEEELSA-N 313.379 -0.608 30 20 DBED CN(C(=O)C[C@@H]1CCC(=O)N1)C1CN(C(=O)C#CC2CC2)C1 954748877 KFEDQIJZGYZEQZ-LBPRGKRZSA-N 303.362 -0.262 30 20 DBED C[C@@H]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)C(N)=O 955794484 GXDUGZFBGFOXIY-BDAKNGLRSA-N 303.322 -0.519 30 20 DBED N#CCN1C[C@@H](O)[C@H](CNC(=O)c2cc(O)nc(C3CC3)n2)C1 958157628 OHWBBYRTZIHQLB-ZYHUDNBSSA-N 317.349 -0.394 30 20 DBED CC#CCN1C[C@H](CNC(=O)c2cn3c(n2)COCC3)[C@@H](O)C1 958179635 PWFHDEAHJVAIDV-JSGCOSHPSA-N 318.377 -0.541 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2nnn(C(C)C)c2C)C1 958548369 PIRLTGOMDRYIGM-QWHCGFSZSA-N 305.382 -0.177 30 20 DBED C#Cc1ccc(C(=O)NC2[C@@H]3CN([C@@H]4CCN(C)C4=O)C[C@@H]23)cn1 962327475 SRPRXVDSYRKJPW-RBSFLKMASA-N 324.384 -0.046 30 20 DBED CC#CCN1C[C@H]2[C@H](NC(=O)C3CCN(C(N)=O)CC3)[C@H]2C1 962501988 FCHSRQLZMIETRA-WDNDVIMCSA-N 304.394 -0.153 30 20 DBED N#Cc1ccc(C(=O)N2CCC[C@H]3CN(C(=O)C(N)=O)C[C@H]32)[nH]1 963730541 NWLXIJCVSYEUGT-JOYOIKCWSA-N 315.333 -0.565 30 20 DBED Cn1ccc(C(=O)NC[C@H]2COCCN2C(=O)C#CC2CC2)n1 964187324 AQZMIRPOVGCYSR-ZDUSSCGKSA-N 316.361 -0.209 30 20 DBED C#CCCN1CC[C@H](C)[C@@H](NC(=O)Cn2ncn(C)c2=O)C1 967032598 NGKLAUONKKLRCD-STQMWFEESA-N 305.382 -0.568 30 20 DBED C[C@H](C#N)C(=O)N1CC(N2CCN(C(=O)[C@H]3CCCO3)CC2)C1 967177257 GAIPDWYWZMRLNR-TZMCWYRMSA-N 320.393 -0.320 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CNC(=O)N1 969776597 UVPOZHTUMCDGAH-CHWFTXMASA-N 305.338 -0.971 30 20 DBED C#CCN1CC([C@H](C)NC(=O)C2CC3(C2)CS(=O)(=O)C3)C1 969961071 JSOMVCOFDKFCJQ-NSHDSACASA-N 310.419 -0.119 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)CN3CCCC3=O)[C@H]2C1 976144940 ZAXXYRTTZXAZAG-KZWBYHQPSA-N 304.350 -0.659 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)[C@H]3CCNC(=O)C3)[C@H]2C1 976353363 VRPLWFCZTPDLFU-HKLXJQGRSA-N 304.350 -0.755 30 20 DBED C#CCN1C[C@H]2C(CNC(=O)c3cn4c(n3)COCC4)[C@@H]2C1 978341466 VDWQYHCRTRXWIX-STQMWFEESA-N 300.362 -0.046 30 20 DBED C=C(C)CCN1C[C@H]2[C@H](CNC(=O)[C@@H]3CC(=O)NC(=O)N3)[C@H]2C1 978809370 MGRUTQLYYPYWBW-RVMXOQNASA-N 320.393 -0.155 30 20 DBED N#Cc1c[nH]c(C(=O)N2CCCN([C@@H]3CCNC3=O)CC2)c1 980917362 LVTMKGOHKRZKFS-CYBMUJFWSA-N 301.350 -0.077 30 20 DBED C[C@@H](C(=O)N1CC2(CCCN(CC#N)C2)C1)N1C(=O)CCC1=O 981798066 QGOCTDNEKLIKQF-LBPRGKRZSA-N 318.377 -0.028 30 20 DBED C=C(C)CN1CCCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)CC1 982071748 JTQJBJHCVFBDDH-UHFFFAOYSA-N 322.365 -0.483 30 20 DBED C=CCN[C@H]1CCN(C(=O)CN2CCS(=O)(=O)CC2)[C@@H]1C 987513967 JXRJHOLAQZECET-OLZOCXBDSA-N 315.439 -0.518 30 20 DBED C=C[C@](C)(CC)C(=O)N1CC(NC(=O)C[C@@H]2NC(=O)NC2=O)C1 994735327 PREWXXXBQDKPDI-ZUZCIYMTSA-N 322.365 -0.486 30 20 DBED C=CCN1CC[C@H](N[C@H]2CN(C(=O)CC(N)=O)CC2(C)C)C1=O 995568601 VIMSBTDWPATNTO-RYUDHWBXSA-N 322.409 -0.525 30 20 DBED C=CCN[C@@H]1CN(C(=O)Cn2ccc(=O)n(C)c2=O)CC1(C)C 995878422 FLQHETXYRUKRFR-GFCCVEGCSA-N 320.393 -0.440 30 20 DBED C[C@@]1(C(=O)NC2CN(C(=O)C#CC3CC3)C2)CCC(=O)NC1 998029873 ONNJDKIZJDESBU-MRXNPFEDSA-N 303.362 -0.357 30 20 DBED Cn1nnc2c(C(=O)NC3CN(C(=O)C#CC4CC4)C3)ccnc21 998515198 BLZXJHJTLOKPKS-UHFFFAOYSA-N 324.344 -0.283 30 20 DBED C=CCn1cc(C(=O)NC2CCN([C@@H](C)C(=O)NC)CC2)nn1 1003755386 YQVDEHYODDBLAH-NSHDSACASA-N 320.397 -0.207 30 20 DBED C#CCN1CCC(C(=O)NC2[C@@H]3CN(C(=O)COC)C[C@@H]23)CC1 1013244986 SJHGQUJWNYPJEC-ZIAGYGMSSA-N 319.405 -0.449 30 20 DBED C#CCN1CC[C@@H](NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 1014428079 QSKSLNJIPBPGJZ-NWDGAFQWSA-N 301.350 -0.414 30 20 DBED C=C(Cl)CN1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)C1 1016342081 ZMNUPSYFASKZSZ-VIFPVBQESA-N 312.761 -0.680 30 20 DBED C=CCn1cccc1C(=O)NC1CC(N(C)C(=O)C(N)=O)C1 1016954133 JWMDVVNVOZHMKP-UHFFFAOYSA-N 304.350 -0.121 30 20 DBED Cc1cn2nc(C(=O)N3CC[C@H](NCC#N)C3)cc2c(=O)[nH]1 1019193232 YCVCWVBNCXRYCR-JTQLQIEISA-N 300.322 -0.341 30 20 DBED Cc1nc(CC(=O)N2CCC3(C2)CN(C(=O)[C@H](C)C#N)C3)n[nH]1 1019363392 SORHQHPMILOBCH-SNVBAGLBSA-N 316.365 -0.124 30 20 DBED C[C@H](C#N)C(=O)N1CCCO[C@H](CNC(=O)c2ncn(C)n2)C1 1019581287 SVNYKLDPBRBBLY-GHMZBOCLSA-N 320.353 -0.678 30 20 DBED N#Cc1cccc(CN[C@H]2C[C@H](NC(=O)Cn3cnnn3)C2)c1 1019975651 GMQSAHFLHVMYJV-HDJSIYSDSA-N 311.349 -0.018 30 20 DBED Cn1nnc(C(=O)N2C[C@@H]3CCN(C(=O)C#CC4CC4)[C@@H]3C2)n1 1021586401 RGLUGNPOFMIMDZ-NWDGAFQWSA-N 314.349 -0.704 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CN(C(=O)c3cc[nH]c3)C[C@H]2O)c[nH]1 1023467522 OECWMODWZGBFQG-CHWSQXEVSA-N 313.317 -0.170 30 20 DBED Cc1noc(C)c1CC(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1O 1023678729 BTCHHMHXORNZGJ-ZEGGKSINSA-N 320.349 -0.318 30 20 DBED COc1ccc(CNC[C@@H]2CCN(C(=O)C(N)=O)C2)cc1C#N 1027032108 BUWHNRSTACPWQJ-LBPRGKRZSA-N 316.361 -0.010 30 20 DBED C#CCN1CCC(C(=O)N2CCC[C@H](N(C)CC(N)=O)C2)CC1 1027693836 KIPMEOCADVWVNL-HNNXBMFYSA-N 320.437 -0.260 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)c3cnn(C)c3)C2)C1=O 1030093045 MISIOIQJWRBJDF-CYBMUJFWSA-N 303.366 -0.379 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)C[C@@H]3CCN(C)C3)C2)C1=O 1031260158 MLXBXUQEUQTXHD-ZFWWWQNUSA-N 320.437 -0.085 30 20 DBED CS(=O)(=O)CCN1CC(CNC(=O)c2cc(C#N)c[nH]2)C1 1031603152 JMVCQOCQDSVRDW-UHFFFAOYSA-N 310.379 -0.407 30 20 DBED C=CCn1cc(C(=O)N2C[C@@H]3C[C@H]2CN3[C@@H](C)C(=O)NC)nn1 1032669930 HLAAYZOYRFUKDH-SRVKXCTJSA-N 318.381 -0.503 30 20 DBED C=CCN1CC[C@H](NCC[C@H]2CCCN(C(=O)C(N)=O)C2)C1=O 1034559271 OYDKEOVDTICHRK-OLZOCXBDSA-N 322.409 -0.523 30 20 DBED N#CCN1CCC2(CCN(C(=O)CN3CC(=O)NC3=O)CC2)C1 1035240543 WOCGEUWNJUCEDQ-UHFFFAOYSA-N 319.365 -0.624 30 20 DBED C#CCCN1CCO[C@H](CNC(=O)c2ccc(=O)n(C)n2)C1 1035602810 LXQOSKWRWHVFQZ-GFCCVEGCSA-N 304.350 -0.766 30 20 DBED C=CCN[C@@H]1CCN(C(=O)Cn2ncn(C)c2=O)C[C@@H]1CC 1037869475 OEWLMHFMPSDBEY-QWHCGFSZSA-N 307.398 -0.016 30 20 DBED CC#CCN1CC[C@@H]1CNC(=O)[C@@H]1Cc2cncn2C(=O)N1 1038538990 YUNOETNJAZDIIV-YPMHNXCESA-N 301.350 -0.421 30 20 DBED Cc1cn2nc(C(=O)NC[C@@H]3CCN3CC#N)cc2c(=O)[nH]1 1038551857 FFXUVKIIJRLCDR-JTQLQIEISA-N 300.322 -0.341 30 20 DBED CC(C)C#CC(=O)NC[C@@]1(O)CCN(C(=O)c2ncn(C)n2)C1 1039664744 WTNBAPUQXYYZFS-HNNXBMFYSA-N 319.365 -0.832 30 20 DBED CN(C[C@H]1CCCCN1C(=O)C(N)=O)c1ccc(C#N)nn1 1039977321 MHLAFDSXFCJTKW-LLVKDONJSA-N 302.338 -0.349 30 20 DBED COC[C@H](OC)C(=O)NC[C@]1(O)CCN(C(=O)C#CC2CC2)C1 1040844274 TWRIJLDUVLPPOT-XJKSGUPXSA-N 324.377 -0.859 30 20 DBED N#CCN1CC[C@H]2CCN(C(=O)Cn3ccc(O)nc3=O)C[C@H]21 1042142191 KCNCFPJFQGQNJH-NWDGAFQWSA-N 317.349 -0.605 30 20 DBED C#CCCN1CC[C@H]2CCN(C(=O)CN3CCNC(=O)C3)C[C@H]21 1042182154 CCJGOYJHCXVIPS-LSDHHAIUSA-N 318.421 -0.636 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(O)CN(C(=O)C#CC(C)C)C1 1042807216 QBAKMLUGCRSFFU-OAHLLOKOSA-N 308.378 -0.338 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)[C@H]2C[C@@H](C)CO2)C1 1042937845 LYTAAMUWLMNIDZ-CHWSQXEVSA-N 308.378 -0.240 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)CCc2ccnn2C)C1 1043318481 NHZOQRGQYOCZHT-LLVKDONJSA-N 319.365 -0.798 30 20 DBED CO[C@@H](C)C(=O)N1CCO[C@@H]2CN(c3nccnc3C#N)C[C@@H]21 1043668966 GHEXRGZBFZPGHD-WCFLWFBJSA-N 317.349 -0.201 30 20 DBED C#CCN1CC[C@H](N2CCN(C(=O)c3[nH]c(O)nc3C)CC2)C1 1046036877 IEUGEGOSHHWYNB-ZDUSSCGKSA-N 317.393 -0.111 30 20 DBED CCOCC(=O)N(C)[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1O 1048124228 WHTOUFIZDIWMKP-STQMWFEESA-N 320.349 -0.433 30 20 DBED C=C(C)CCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CNC(N)=O)C1 1048206894 BJPONAAWPVTXTR-QWRGUYRKSA-N 312.370 -0.959 30 20 DBED CN(C(=O)c1cn[nH]c1)[C@H]1CN(C(=O)CSCC#N)C[C@@H]1O 1048350466 SWECQUCOBLGMGJ-QWRGUYRKSA-N 323.378 -0.690 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cn(C)cn2)C1 1048678457 OVYGDMLPNJYSKQ-STQMWFEESA-N 322.365 -0.734 30 20 DBED C#CCCCC(=O)N(C)[C@H]1CN(C(=O)c2cnn(C)n2)C[C@@H]1O 1048749989 GVHGGGYETVCLJC-STQMWFEESA-N 319.365 -0.738 30 20 DBED C=CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[C@H]2C(N)=O)C1 1049565635 WEKBKOUAWDLQMM-VOAKCMCISA-N 323.393 -0.506 30 20 DBED C#CCCN1CC[C@@H]2[C@H]1CCCN2C(=O)CN1CC(=O)NC1=O 1049791439 VBQZQDHXHDFGBO-CHWSQXEVSA-N 318.377 -0.373 30 20 DBED C#CCCN1CCOC[C@H]1CNC(=O)c1cccc(=O)n1C 1051103783 IUAQNVHIHOXNGF-CYBMUJFWSA-N 303.362 -0.161 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)[C@H]1CCc2n[nH]cc2C1 1051203740 JSWAZFDSICTREI-JSGCOSHPSA-N 302.378 -0.035 30 20 DBED C=CCN1CCN([C@H]2CCN(C(=O)[C@H]3CCN(C)C3=O)C2)CC1 1052066440 WBBVGNKLQDWGNY-GJZGRUSLSA-N 320.437 -0.131 30 20 DBED C#CCN1CC2(C1)CN(C(=O)[C@@H](C)[C@H]1CCC(=O)N1)CCO2 1053442341 JOOVLSQNTUBKJN-QWHCGFSZSA-N 305.378 -0.553 30 20 DBED CC(C)n1cc(C(=O)N[C@H]2COC3(C2)CN(CC#N)C3)nn1 1053969657 TZBYUVYFJXEULW-LLVKDONJSA-N 304.354 -0.044 30 20 DBED C=C(C)CN[C@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@@H]1C 1054670538 ICLQWOHOTFCOCG-QWRGUYRKSA-N 306.370 -0.610 30 20 DBED C#CCCCC(=O)NC1CCN(CCNC(=O)CC(N)=O)CC1 1055546782 ISQXCNDLGWNOGM-UHFFFAOYSA-N 322.409 -0.638 30 20 DBED C=CCOCC(=O)N1CCC[C@](CO)(NC(=O)c2cc[nH]n2)C1 1055787165 CLKMERWDMXUCGT-HNNXBMFYSA-N 322.365 -0.304 30 20 DBED N#Cc1ccc(N2C[C@H]3C(NC(=O)[C@@H]4COC(=O)N4)[C@@H]3C2)cn1 1056192939 APMZQWQOFJZKFX-UTUOFQBUSA-N 313.317 -0.388 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)c1cn(C)c(=O)cn1 1058333543 IQOAKDCJWJDOFE-UHFFFAOYSA-N 322.365 -0.703 30 20 DBED N#Cc1ccc(N2CC[C@@H](NC(=O)Cn3ccccc3=O)C2)nn1 1058367830 ZOMSJQCTNCVDRK-CYBMUJFWSA-N 324.344 -0.095 30 20 DBED Cc1noc(CCC(=O)NCCN(CCO)C(=O)[C@H](C)C#N)n1 1058660515 BNQRVSXTSMIDTA-SNVBAGLBSA-N 323.353 -0.593 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1C[C@H](NC(=O)[C@H]2CC[C@@H]2C(N)=O)C1 1059368054 CKQWGSPEGKYVEL-CYDGBPFRSA-N 313.361 -0.054 30 20 DBED COCC(=O)NC[C@H]1COCCN1C(=O)c1cc(C#N)c[nH]1 1061194786 AXSLQQIXUYIMSB-NSHDSACASA-N 306.322 -0.510 30 20 DBED C=CCOCC(=O)N1CCOC[C@@H]1CNC(=O)[C@H](C)OC 1061365371 ALDBIZRXVDIWBJ-RYUDHWBXSA-N 300.355 -0.433 30 20 DBED C#CCCCCC(=O)NC[C@H]1COCCN1C(=O)c1cnn[nH]1 1061520294 XEHALPGPPGIXIJ-LBPRGKRZSA-N 319.365 -0.045 30 20 DBED CC(C)(C)C#CC(=O)NC[C@@H]1COCCN1C(=O)c1cnn[nH]1 1061574773 CIORXEJQEZHOQB-LLVKDONJSA-N 319.365 -0.189 30 20 DBED C#CCOCCC(=O)NC[C@H]1COCCN1C(=O)C#CC1CC1 1061581795 UNXGRBJFEQWGBO-HNNXBMFYSA-N 318.373 -0.217 30 20 DBED N#CCSCC(=O)N1CCOC[C@H]1CNC(=O)c1nc[nH]n1 1061766152 AGSPBGYMKIYRNS-SECBINFHSA-N 324.366 -0.981 30 20 DBED N#Cc1nccnc1N1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1COCCO1 1062449669 XMBJGNXIXPDBGI-GVXVVHGQSA-N 315.333 -0.447 30 20 DBED C#CCO[C@@H](C)C(=O)NC1(CNC(=O)c2cn(C)nn2)CCC1 1062925039 YXCONUFJYKQATN-NSHDSACASA-N 319.365 -0.378 30 20 DBED N#Cc1nc(=NC[C@@H]2CCCN2C(=O)[C@@H]2CCNC2=O)cc[nH]1 1064983931 JUVWNRVAMMBYAI-WDEREUQCSA-N 314.349 -0.691 30 20 DBED O=C(C#CC1CC1)N1C[C@@H]2CN(c3nccn4nnnc34)C[C@@H]2C1 1066002531 OMWLEMSAHMMGNA-BETUJISGSA-N 323.360 -0.173 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@@H](CNC(=O)c3cc[nH]n3)C2)cn1 1067650706 BNWRFLMDNDVHHW-IINYFYTJSA-N 312.333 -0.097 30 20 DBED N#Cc1cnccc1N1C[C@H](O)[C@H](CNC(=O)c2ccnnc2)C1 1067693352 LLVHOCBYDGYVOQ-HIFRSBDPSA-N 324.344 -0.030 30 20 DBED N#Cc1nccnc1NC[C@H]1C[C@H](NC(=O)Cn2cnnn2)C1 1068449330 GXFKPRHWFAEIKD-MGCOHNPYSA-N 313.325 -0.658 30 20 DBED C=CCCC(=O)N1CC2(C[C@@H](NC(=O)C3(C(N)=O)CC3)CO2)C1 1068993286 USHKTDMSRVDVMF-LLVKDONJSA-N 321.377 -0.296 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)CCN(C)C)CCOCC1 1070238933 MHORKIXVORXHSE-GFCCVEGCSA-N 310.398 -0.121 30 20 DBED C=CCN[C@@H]1CN(C(=O)[C@]2(C)CNC(=O)C2)C[C@@H]1n1ccnn1 1070242890 WHLGHMFFDRJVSD-XUJVJEKNSA-N 318.381 -0.668 30 20 DBED CO[C@H](C(=O)N1C[C@H](n2ccnn2)[C@H](NCC#N)C1)C1CCC1 1070246297 PJFUFAMATPSHEP-RDBSUJKOSA-N 318.381 -0.042 30 20 DBED N#CCN1C[C@H]2C[C@@H]3CN(C(=O)Cc4cncnc4)C[C@@]3(C1)O2 1070793627 MYEKKIKVZHNQFE-IIAWOOMASA-N 313.361 -0.156 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)c2ccnc(C)n2)CC1 1071021879 KQKVVRAIEQRERU-UHFFFAOYSA-N 315.377 -0.318 30 20 DBED COC(=O)NCC(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C 1072050250 ZVCGEMAMTNBXTE-ZYHUDNBSSA-N 307.350 -0.281 30 20 DBED C#CCOCCC(=O)N1C[C@H](C)[C@@H](NC(=O)CCNC(N)=O)C1 1072097465 NBMKPVWCIBNPDC-RYUDHWBXSA-N 324.381 -0.952 30 20 DBED C=CCOCC(=O)N[C@H]1CN(C(=O)CCn2cnnn2)C[C@H]1C 1072599291 HZQLGSSVNGDQER-NEPJUHHUSA-N 322.369 -0.771 30 20 DBED C[C@H](C#N)C(=O)NC1(C)CCN(C(=O)[C@@H]2CCNC2=O)CC1 1073182138 MJAGFVIFCDZXIN-GHMZBOCLSA-N 306.366 -0.221 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)[C@H]2CN(CC)CCO2)C1 1073896291 OTPOWJLYEWGSTQ-LSDHHAIUSA-N 309.410 -0.453 30 20 DBED C=CCOCC(=O)N1CC[C@H](NC(=O)Cn2ncnn2)[C@@H](C)C1 1073976732 FVRLLZQDECOGTC-RYUDHWBXSA-N 322.369 -0.771 30 20 DBED N#CCN1CCO[C@H]2CCN(C(=O)CCn3ccnn3)C[C@H]21 1074225144 BXDHNQHBYNXKOB-OLZOCXBDSA-N 304.354 -0.507 30 20 DBED C#Cc1ccc(C(=O)N[C@@H](C)CCNC(=O)CC(N)=O)nc1 1075994159 SGLHJPHUFIHCEZ-JTQLQIEISA-N 302.334 -0.437 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2ccc3oc(O)nc3c2)C1 1077176220 QSRLYLKVFFXXDQ-GHMZBOCLSA-N 302.290 -0.168 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)Cn2cnc3c2CCCC3)C1 1077399513 MVNUMSBALRELAY-GDBMZVCRSA-N 316.405 -0.054 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCN(C(=O)CC)C2)C1 1077960556 ZOHFVCVGOMDWKL-BFHYXJOUSA-N 309.410 -0.018 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)c1oncc1C 1078180756 REGBDPDPZUYYOK-NSHDSACASA-N 320.349 -0.253 30 20 DBED C#Cc1cncc(C(=O)NCC[C@H](C)NC(=O)CC(N)=O)c1 1078288513 DREZHKXVJJUISV-JTQLQIEISA-N 302.334 -0.437 30 20 DBED C[C@@H]1CN([C@H]2CCNC2=O)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 1079593900 MDXKBHNYFKMPJY-WQAKAFBOSA-N 301.350 -0.175 30 20 DBED C=CCN1C[C@@H](NC(=O)[C@@H]2Cc3cncn3C(=O)N2)[C@H](C)C1 1080181705 HNVYPZKVKZPKDW-KGYLQXTDSA-N 303.366 -0.012 30 20 DBED C[C@@H](C#N)C(=O)NC1(CO)CCN(C(=O)[C@@H]2[C@H]3COC[C@H]32)CC1 1080983393 MLHJJOKSUQCATK-WUHRBBMRSA-N 321.377 -0.492 30 20 DBED C=CCOCC(=O)N1CCC(CN(CC)C(=O)C(N)=O)CC1 1081064198 DKXUPKVGFSQPOZ-UHFFFAOYSA-N 311.382 -0.239 30 20 DBED COCC(=O)NC[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1O 1081177226 BPZVDOFRGKXNKI-JOYOIKCWSA-N 306.322 -0.918 30 20 DBED O=C(COCC1CC1)NC[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1081297689 OEFPYOJXNSWYAP-HUUCEWRRSA-N 320.389 -0.238 30 20 DBED CCOCC(=O)N1C[C@H](CNC(=O)c2ccc(C#N)[nH]2)[C@@H](O)C1 1081413924 MZFDKBLWYHSKOM-GWCFXTLKSA-N 320.349 -0.528 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@H]2CCc3nnnn3CC2)[C@H](OC)C1 1082154562 KSSJOCJRMJGMLD-YNEHKIRRSA-N 318.381 -0.926 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)c2cc3c([nH]2)CCOC3)C1 1083518554 DVJBUCAOBXBPLX-CABCVRRESA-N 303.362 -0.114 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)c2cnn3cc(C)cnc23)C1 1083826820 LYUZKBZBHZVQRP-OLZOCXBDSA-N 301.350 -0.001 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@]2(C)CCCS2(=O)=O)C1 1083854525 XHVHANHLJNNYIO-DYEKYZERSA-N 314.407 -0.862 30 20 DBED Cc1ncc(C(=O)N[C@@H]2CN(CC#N)C[C@@H]2O)c(C2CC2)n1 1084011579 NKZXYRKNOCRWDY-OLZOCXBDSA-N 301.350 -0.039 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCCCN2C(=O)C(C)C)C1 1084084847 CUOPMIUZGDMDJN-KFWWJZLASA-N 321.421 -0.182 30 20 DBED C#CCN1CC[C@@H]2CCN(C(=O)CC[C@H]3NC(=O)NC3=O)C[C@@H]21 1085089554 KTMOFWZJYWTJIR-UPJWGTAASA-N 318.377 -0.469 30 20 DBED CC[C@@H]1[C@@H](NC(=O)[C@@H]2COCCN2C(C)=O)CCN1CC#N 1087834701 QRRWLMXPRUAZMR-MJBXVCDLSA-N 308.382 -0.274 30 20 DBED COCC(=O)NC[C@@H]1CN(c2cncc(C#N)n2)CCCO1 1089512270 HCCSSNGMUJIBJN-GFCCVEGCSA-N 305.338 -0.294 30 20 DBED Cn1nnc(C(=O)N2C[C@H]3CC[C@H]2[C@@H]2CN(CC#N)C[C@@H]32)n1 1089846285 MHWWQTGBNCGFJO-KXNHARMFSA-N 301.354 -0.484 30 20 DBED C=C(C)CCN1CC[C@H](NC(=O)CN2CCOCC2)[C@H](O)C1 1090204106 MTUJIBRJLABMCV-LSDHHAIUSA-N 311.426 -0.164 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CN2CCCCC2=O)[C@@H](O)C1 1090384336 JSXWQUUHVJFCAT-KGLIPLIRSA-N 307.394 -0.426 30 20 DBED C=CCCN1CC[C@@H](NC(=O)c2cc(C(N)=O)c[nH]2)[C@@H](O)C1 1090674957 CHDILFSLWVVZCC-YPMHNXCESA-N 306.366 -0.145 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cnn3ccc(C)nc23)[C@H](O)C1 1090735270 WHQAXZFYNIEPAG-UONOGXRCSA-N 313.361 -0.164 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2cccnc2C(N)=O)[C@H](O)C1 1090824547 NYZQZBPOTXJRFH-CHWSQXEVSA-N 316.361 -0.631 30 20 DBED C[C@H](CC(N)=O)C(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@@H]1O 1091175382 YMOWCVMFMDOQNV-JLLWLGSASA-N 317.349 -0.870 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)Cc3ncc[nH]3)c3nccn32)C1 1092404147 NYEBKNVSJLESCK-LLVKDONJSA-N 311.349 -0.056 30 20 DBED N#Cc1ccc(NCCNC(=O)C[C@@H]2CCS(=O)(=O)C2)nn1 1093992230 YCLGEHKDRJGFOJ-JTQLQIEISA-N 323.378 -0.299 30 20 DBED Cc1cc(C#N)nc(NCCNC(=O)[C@@H](C)S(C)(=O)=O)n1 1094239294 UXJRMRDEZNSGAY-SECBINFHSA-N 311.367 -0.382 30 20 DBED N#Cc1nc(=NCCCNC(=O)CN2CCCC2=O)cc[nH]1 1094314813 MYLDIGVTIPHFLY-UHFFFAOYSA-N 302.338 -0.689 30 20 DBED C#CCNC(=O)CC(=O)NCCCNc1cnc(C#N)cn1 1094372596 NPIBFWARRBXFRF-UHFFFAOYSA-N 300.322 -0.594 30 20 DBED CNC(=O)NC(C)(C)C(=O)NCCCNc1ccc(C#N)nn1 1094461626 DOOYVJYZWWRVNR-UHFFFAOYSA-N 319.369 -0.026 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)c3cncnc3)CC2=O)C1 1094726478 QLOYOPCCWAMXBU-GFCCVEGCSA-N 301.350 -0.323 30 20 DBED CC#CCN1CC(N2C[C@H](NC(=O)[C@@H]3[C@H]4COC[C@H]43)CC2=O)C1 1094771860 MLALGAVYMRDREU-UYHMYPTGSA-N 317.389 -0.697 30 20 DBED C[C@@H]1CCCN1CC(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1 1094783315 OJSBPLGKCIKYSW-OLZOCXBDSA-N 319.409 -0.604 30 20 DBED CN1C[C@@H](C(=O)NCCCNc2ccc(C#N)nn2)CC1=O 1094845581 FNECTYQRWKKGOB-JTQLQIEISA-N 302.338 -0.255 30 20 DBED N#Cc1nc(=NCC2CCN(C(=O)CNC(N)=O)CC2)cc[nH]1 1095254151 KZAZRNLIOMZRMF-UHFFFAOYSA-N 317.353 -0.911 30 20 DBED C[C@H](NC(N)=O)C(=O)N1CCC[C@@H](N=c2cc[nH]c(C#N)n2)C1 1095290899 PLYSJTXZMLPWSD-VHSXEESVSA-N 317.353 -0.770 30 20 DBED N#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1ccc(-n2cnnn2)cn1 1095811645 ZHJAACKWLRTJQF-SWHYSGLUSA-N 324.348 -0.084 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCN(c2nccc(OC)n2)C1 1096360396 MXJVGOFTDPCFTL-LLVKDONJSA-N 317.349 -0.680 30 20 DBED CNC(=O)C1(C(=O)N[C@H]2CCN(c3nccnc3C#N)C2)CC1 1096396074 TYXYKXGSUDWHLA-JTQLQIEISA-N 314.349 -0.431 30 20 DBED C[C@H](CC(N)=O)C(=O)N[C@H]1C[C@@H](Nc2cnc(C#N)cn2)C1 1097240800 URDIIIODSHTUOJ-BBBLOLIVSA-N 302.338 -0.081 30 20 DBED Cc1c(CC(=O)NC[C@@H](C)N=c2cc[nH]c(C#N)n2)cnn1C 1098093138 IFGIDUBMJNKGBS-SNVBAGLBSA-N 313.365 -0.029 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)Nc1ccc(C#N)nc1 1098213997 UIAYAIZIGCEWMK-CABZTGNLSA-N 302.338 -0.107 30 20 DBED CC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1C(=O)CNC1=O 1098343864 RBCZFPFUHZWCSL-UTUOFQBUSA-N 304.350 -0.717 30 20 DBED CC#CCNCc1cn([C@@H]2CCN(C(=O)c3nc[nH]n3)C2)nn1 1098750915 DVFGSBWAALHSLZ-GFCCVEGCSA-N 314.353 -0.404 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)c2ccc(O)nn2)[C@@H](O)C1 1099641886 JDWWKHIDSGOXED-AAEUAGOBSA-N 322.365 -0.450 30 20 DBED Cn1cc(CN2CC[C@@H](NC(=O)CSCC#N)[C@@H](O)C2)nn1 1099693139 MCDUSTAGAHPQFG-NEPJUHHUSA-N 324.410 -0.877 30 20 DBED C#CCCCC(=O)N[C@@H]1CCN(CC(=O)NCC#C)C[C@H]1O 1099804051 HDZGSJHFKVKIMD-ZIAGYGMSSA-N 305.378 -0.909 30 20 DBED C#CCCCC(=O)N[C@@H]1CCN(CC(=O)NC(C)C)C[C@@H]1O 1099806611 DIKIMJBZDYKTPZ-KGLIPLIRSA-N 309.410 -0.134 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CCN(CC(=O)N2CCCC2)C[C@H]1O 1099820280 CMZSNPFDFVMOGJ-HUUCEWRRSA-N 321.421 -0.180 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1CCN(CCS(C)(=O)=O)C[C@H]1O 1099944410 NIJUDLOQORKWBD-VXGBXAGGSA-N 318.439 -0.205 30 20 DBED C#CCN1CC[C@H](NC(=O)C2(NC(C)=O)CCCC2)[C@@H](O)C1 1100031340 DDVSPBTWSOARBR-KBPBESRZSA-N 307.394 -0.380 30 20 DBED C#CCN1CC[C@H](NC(=O)COCc2ccncc2)[C@H](O)C1 1100052943 HNMVNGJLLSVQTP-LSDHHAIUSA-N 303.362 -0.217 30 20 DBED C=CCCOCC(=O)N[C@@H]1CCN(Cc2cn(C)nn2)C[C@@H]1O 1100139370 POSMZKGOCXDJQZ-KGLIPLIRSA-N 323.397 -0.541 30 20 DBED CN(CCNC(=O)[C@]1(C)CNC(=O)C1)c1cnc(C#N)cn1 1100246781 MUTUDBBCDXDDQJ-AWEZNQCLSA-N 302.338 -0.573 30 20 DBED CN(CCNC(=O)c1cn(C)ccc1=O)c1ccnc(C#N)n1 1100421581 TVGXTIODIJJWLC-UHFFFAOYSA-N 312.333 -0.087 30 20 DBED C=C(C)CCNC1CC(CNC(=O)CN2CCNC(=O)C2)C1 1100566793 JRIDYKDARCGFFH-UHFFFAOYSA-N 308.426 -0.131 30 20 DBED C=CCN1CC2(C[C@@H](NC(=O)CNC(C)=O)c3nccn32)C1 1101604854 ZWBMWHMHILBFRI-GFCCVEGCSA-N 303.366 -0.223 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)c2cccnn2)C1 1102476308 FUVJFRMCQGTDDS-CHWSQXEVSA-N 315.377 -0.476 30 20 DBED C=CCOCC(=O)NCC[C@@H]1CN(Cc2nnnn2C)C[C@H]1C 1102774720 VKCNPXJPNQOFSM-CHWSQXEVSA-N 322.413 -0.013 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)c2cnn[nH]2)C1 1103180295 BKBOAQKIKCMEKA-VXGBXAGGSA-N 318.381 -0.758 30 20 DBED CC[C@@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)Nc1cnc(C#N)cn1 1103305833 OGMYHUVJVHYUGE-GDPRMGEGSA-N 302.338 -0.224 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)[C@H]1CCC(=O)N1C 1104174262 WUDDGNOTOSPYPU-GHMZBOCLSA-N 316.365 -0.445 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CN(c2ccc3nnnn3n2)CCO1 1104301741 KBNRJNQQQVHMHN-NXEZZACHSA-N 316.325 -1.000 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CN(c2ccc(C#N)nn2)CCO1 1104302569 YCLMPIGECRSIPB-PWSUYJOCSA-N 300.322 -0.171 30 20 DBED C=CCNC(=O)CNCc1cn(C2CN(C(=O)CCC)C2)nn1 1105136845 IQIKGHBKMVEBDI-UHFFFAOYSA-N 320.397 -0.147 30 20 DBED C=CCCNCc1cn(C2CN(C(=O)c3nc[nH]n3)C2)nn1 1105345638 LIEVRTINRADAAR-UHFFFAOYSA-N 302.342 -0.241 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](O)CNC(=O)c2cocn2)n1 1105751456 IFDMHCPTUPTDOF-JTQLQIEISA-N 302.294 -0.153 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)Cc2cc[nH]n2)nc1 1105762175 LYYJCNBCSXDLKS-GFCCVEGCSA-N 300.322 -0.192 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)c2ncccc2O)nn1 1105802851 SLFZOSAYEYNGCC-JTQLQIEISA-N 314.305 -0.348 30 20 DBED C[C@](O)(CC(=O)NC[C@H](O)CNc1cncc(C#N)n1)C1CC1 1105827912 ZUTFKAKDWVFMDR-DOMZBBRYSA-N 319.365 -0.212 30 20 DBED Cn1cncc1C(=O)NC[C@H](O)CNc1cnc(C#N)cn1 1106010555 BQWJIHZKDWBWJP-SNVBAGLBSA-N 301.310 -0.715 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H](O)CNc1ncc(F)cn1 1106154301 HLQYJDHYMXZNRW-STQMWFEESA-N 321.356 -0.398 30 20 DBED C[C@H](CCNc1nccnc1C#N)NC(=O)CN1CCOCC1 1106279178 AXJCJXGDMNROLA-GFCCVEGCSA-N 318.381 -0.013 30 20 DBED C[C@@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)CO[C@@H]1CCOC1 1106447981 YECDBLNMUNZRMN-NWDGAFQWSA-N 319.365 -0.118 30 20 DBED C=CCN1CC(n2cc(CNC(=O)[C@@]3(C)CNC(=O)C3)nn2)C1 1107186770 AYJRAIVPLMQDRE-OAHLLOKOSA-N 318.381 -0.537 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)[C@]2(CC)CCNC2=O)C1 1108008166 MGJLPYGGWWAINA-JKSUJKDBSA-N 307.394 -0.257 30 20 DBED CCC(=O)N[C@@H](C)C(=O)N[C@H](C)CN=c1cc[nH]c(C#N)n1 1108157689 BIWCPLSDIWHOJY-ZJUUUORDSA-N 304.354 -0.399 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)Cn2nnnc2C(C)C)C1 1108268244 WJYGJIZMGBXIKQ-OAHLLOKOSA-N 320.397 -0.363 30 20 DBED C=CCCN1CC(N2C[C@H](NC(=O)CNC(=O)OC)CC2=O)C1 1108511949 ZFUKAFQNTQLQTH-LLVKDONJSA-N 324.381 -0.680 30 20 DBED Cc1cc(C#N)nc(N(C)C[C@H](C)NC(=O)c2nnn(C)n2)n1 1109179866 WXYBPOXKOUNEGK-VIFPVBQESA-N 315.341 -0.565 30 20 DBED CN(CCCN=c1cc[nH]c(C#N)n1)C(=O)[C@H]1CCC(=O)N1 1109392653 UCHNYVPSOLBQTJ-SNVBAGLBSA-N 302.338 -0.691 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCn1ncn(C)c1=O 1109558124 NKMIJJKWXXAKAJ-AGIUHOORSA-N 303.366 -0.673 30 20 DBED N#Cc1cncc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)CCc2cnn[nH]2)n1 1109741578 IVLUKECNJROEON-LYSGOOTNSA-N 324.348 -0.208 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCC(=O)N1CCOCC1 1110070110 KBVIPGQYCZZGPQ-ILXRZTDVSA-N 319.405 -0.020 30 20 DBED C[C@@H](C(=O)NCC1(Nc2nccnc2C#N)CC1)S(C)(=O)=O 1110390855 HGRSCFLYZJZHSZ-VIFPVBQESA-N 323.378 -0.158 30 20 DBED N#Cc1cnc(NC[C@@H]2CCCN2C(=O)CCNC(N)=O)cn1 1110544491 QZDLECGCOHOXMI-NSHDSACASA-N 317.353 -0.190 30 20 DBED C=CCOCC(=O)NC[C@@]1(O)CCN(c2cnc(C#N)cn2)C1 1111039551 JWJNYCKMRMPBRX-HNNXBMFYSA-N 317.349 -0.392 30 20 DBED Cc1ccc(C#N)c(NCCN(CCO)C(=O)c2nc[nH]n2)n1 1111496689 WZMYADPNDAIOSS-UHFFFAOYSA-N 315.337 -0.074 30 20 DBED N#Cc1ccc(N2Cc3ccc(CNC(=O)C(N)=O)cc3C2)nn1 1112276177 SRZJIFBMAILYOZ-UHFFFAOYSA-N 322.328 -0.030 30 20 DBED C=CCNC[C@]12CCC[C@H]1CN(C(=O)CN1C(=O)CNC1=O)C2 1112574850 DMIBEEMIPMXGKM-LRDDRELGSA-N 320.393 -0.058 30 20 DBED CS(=O)(=O)CCCN1CCN(C(=O)CSCC#N)CC1 1112630350 XSQSFWNRICSGFP-UHFFFAOYSA-N 319.452 -0.178 30 20 DBED COCCC(=O)NC[C@@H]1CN(c2nc(C)cc(C#N)n2)C[C@H]1O 1112689173 JMHMCPYOPWRFNK-DGCLKSJQSA-N 319.365 -0.394 30 20 DBED C#CCNC(=O)CC(=O)N1CCN(Cc2conc2C)CC1 1112774330 RKGKZYAKHVPFFE-UHFFFAOYSA-N 304.350 -0.233 30 20 DBED Cc1cc(=N[C@H](C)[C@@H](C)NC(=O)CNC(N)=O)c(C#N)c[nH]1 1112893910 CQMPFALHFLLRDZ-NXEZZACHSA-N 304.354 -0.343 30 20 DBED C[C@H](CNC(=O)CCn1cnnn1)N(C)c1nccnc1C#N 1113685632 FBMVUKCJLWCCLU-SNVBAGLBSA-N 315.341 -0.634 30 20 DBED C[C@H](CNC(=O)CCn1cnnn1)N(C)c1cnc(C#N)cn1 1113686114 SQQNYKPQWBMEBP-SNVBAGLBSA-N 315.341 -0.634 30 20 DBED C#CCOCCC(=O)NC[C@H](C)N(C)c1nccn2nnnc12 1113722706 DJVBXNWGWLVNNL-NSHDSACASA-N 317.353 -0.500 30 20 DBED C[C@@H](CNC(=O)C1CS(=O)(=O)C1)N(C)c1cnc(C#N)cn1 1113734012 UBPMOYFRWRWVKX-VIFPVBQESA-N 323.378 -0.666 30 20 DBED CC[C@@H]1CCO[C@@H]1C(=O)NC1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]12 1114426937 WLCKSAXFZGQOPS-BLTAXRJOSA-N 320.393 -0.512 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3cccnc3C)[C@H]2C1 1114743926 SSEJBFZQFRSGPX-FOLVSLTJSA-N 312.373 -0.201 30 20 DBED N#Cc1cncc(NC[C@H]2C[C@H](NC(=O)CCNC(N)=O)C2)n1 1114769545 OAHCNMBMMIIMLJ-MGCOHNPYSA-N 317.353 -0.287 30 20 DBED CC(=O)N[C@H](C)C(=O)N[C@H](C)CCCN=c1cc[nH]c(C#N)n1 1114855365 XCVGYKFWGNSWFQ-GHMZBOCLSA-N 318.381 -0.008 30 20 DBED C#CCCN1C[C@H]2C(NC(=O)[C@@H](NC(=O)COC)C(C)C)[C@@H]2C1 1114939518 JMXNHCGCVUEHMG-NFAWXSAZSA-N 321.421 -0.157 30 20 DBED C#CCN1C[C@H]2C(NC(=O)C[C@@]3(C)CCS(=O)(=O)N3)[C@@H]2C1 1115175863 DIMSUIGZUNYWDF-JTNHKYCSSA-N 311.407 -0.862 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)Cn3ccnc3)[C@H]2C1 1115341822 LNDCRRBXJYVGKC-JYAVWHMHSA-N 303.366 -0.768 30 20 DBED Cc1cc(=NCCCOCCNC(=O)C(N)=O)c(C#N)c[nH]1 1115447480 NFTVQHPCNNSRIV-UHFFFAOYSA-N 305.338 -0.896 30 20 DBED CS(=O)(=O)NCCC(=O)NCC1(NCC#N)CCCCC1 1115560883 AYJDTMYUOXQDQH-UHFFFAOYSA-N 316.427 -0.142 30 20 DBED N#CCN1CCC(NC(=O)NC[C@H](CO)[C@H]2CCOC2)CC1 1116898225 IXGCNXNHWMYYQX-QWHCGFSZSA-N 310.398 -0.081 30 20 DBED CNC(=O)NCC(=O)N(C)C[C@@H](C)Nc1nccnc1C#N 1120817793 MEUIDBBWAQNJKG-SECBINFHSA-N 305.342 -0.464 30 20 DBED C#Cc1ccc(NC(=O)C(=O)N2CCC(O)(CO)CC2)cc1 1121000104 JIKUYESBLYBSNW-UHFFFAOYSA-N 302.330 -0.048 30 20 DBED CC(C)[C@@H](C(=O)NC[C@@H](CO)Nc1cnc(C#N)cn1)N(C)C 1121838223 GKOIZPGTACNVJV-JSGCOSHPSA-N 320.397 -0.177 30 20 DBED COCCO[C@@H](C)C(=O)NC[C@H](CO)Nc1nccnc1C#N 1122012885 OOODRGQDEDHDPQ-WDEREUQCSA-N 323.353 -0.711 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H](CO)Nc1cc(C)nc(CO)n1 1122037115 UDNKGIYUMFYVEK-VXGBXAGGSA-N 322.365 -0.795 30 20 DBED CCOCC1(C(=O)NC[C@H](CO)N=c2cc[nH]c(C#N)n2)CC1 1122190356 OPEWKGBRXXOMHZ-LLVKDONJSA-N 319.365 -0.524 30 20 DBED C[C@@H]1[C@@H](Nc2ccc(C#N)nn2)CCN1C(=O)CNC(N)=O 1122930445 JTAMAHWGCXLLJA-SCZZXKLOSA-N 303.326 -0.582 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)c1ncoc1C 1124371085 CDOSJRGZXLBXOL-SECBINFHSA-N 323.353 -0.297 30 20 DBED C#CCNC(=O)CC(=O)NCCN[C@@H](C)C(=O)NC1CCCC1 1125998093 JRCWEYALSKRYMN-LBPRGKRZSA-N 322.409 -0.721 30 20 DBED COCCOCCC(=O)NCc1cnn2c1CN(CC#N)CC2 1128608185 VFLHIYBQFMZHFQ-UHFFFAOYSA-N 321.381 -0.108 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)[C@H]2CCCC(=O)N2)C1=O 1130035414 UOTBASHUPKYGPT-VXGBXAGGSA-N 308.382 -0.852 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)C[C@H](C)NC(N)=O)C[C@@]3(C1)O2 1131230538 LBLJTBPRRMZCOJ-BCUIYNNISA-N 320.393 -0.632 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)[C@]1(C)CCC(=O)NC1 1132717523 BAMFMWZJYVIZLX-XHDPSFHLSA-N 310.398 -0.701 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)Cc1ncccc1F 1132906787 SVTONCHELITKAX-NSHDSACASA-N 306.341 -0.393 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)C[C@@H](C)NCc1nncn1C 1134131014 PKQVTIILIMXQPZ-NEPJUHHUSA-N 320.397 -0.673 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1c(C(C)C)n[nH]c1C 1147114554 SLQMBSPKPOEACA-UHFFFAOYSA-N 305.382 -0.090 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CCCCN(C)C1=O 1147639735 YQPOCRCRHLPWJM-CHWSQXEVSA-N 324.425 -0.359 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)C12CCN(CC1)C2 1147970848 SEYKGECYZROBEL-UHFFFAOYSA-N 321.425 -0.450 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)c1cnco1)C2 1147997290 JYEXWWBBJNFZAY-UHFFFAOYSA-N 302.334 -0.428 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)CC2CS(=O)(=O)C2)C1 1149929772 CHPQBHQTPABYLW-CYBMUJFWSA-N 314.407 -0.739 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cc(C)n(C(C)C)n1 1153893720 OIPQUKOVFVJESA-UHFFFAOYSA-N 305.382 -0.159 30 20 DBED CCN(CC#N)[C@H](C)CNC(=O)[C@@H](NS(C)(=O)=O)C(C)C 1155710160 BPBMKGLBKNXRLF-NEPJUHHUSA-N 318.443 -0.090 30 20 DBED C#CCO[C@@H](C)C(=O)NCCCNCC(=O)N(CC)CCC#N 1157870177 YBDXIOKXDYAGRD-AWEZNQCLSA-N 322.409 -0.117 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)c1cncnc1O 1160651201 VLMOWUGNCUHTNC-JTQLQIEISA-N 305.338 -0.970 30 20 DBED CCC[C@@H](C(=O)NCCCNCC#CCOC)S(N)(=O)=O 1163213701 UKHNFMGVDCLCNE-LBPRGKRZSA-N 319.427 -0.811 30 20 DBED C#CCNC(=O)[C@@H](C)NCC1(CCNC(=O)CC(=O)NC)CC1 1164263369 JRICDLADFSTSRK-GFCCVEGCSA-N 322.409 -0.864 30 20 DBED Cc1nc(CC(=O)NCCCNCC(=O)NCC#N)cs1 1175535122 ALRDWKLEDYMKOD-UHFFFAOYSA-N 309.395 -0.270 30 20 DBED C[C@@H](CCCCNCC(=O)NCC#N)NC(=O)[C@H]1CCN(C)C1 1176563943 IJOVFDRBBSTLLT-KBPBESRZSA-N 323.441 -0.158 30 20 DBED CNC(=O)CN1CCO[C@H]2CCN(C(=O)C#CC(C)C)C[C@@H]21 1176999752 ITELTHQTYYVRBC-KBPBESRZSA-N 307.394 -0.307 30 20 DBED C=CCN1CCO[C@@H]2CCN(C(=O)C(=O)NCC(F)F)C[C@@H]21 1177042773 RTNQIAYSOOHYIS-WDEREUQCSA-N 317.336 -0.145 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)C(C)(C)NC(=O)NC)C[C@H]21 1177156517 JLOKKUJVWNJVIK-OLZOCXBDSA-N 322.409 -0.371 30 20 DBED C[C@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)CN1CC[C@@H](C)C1 1179539143 PNGJMYRXDWRQPR-RDBSUJKOSA-N 321.425 -0.453 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)C2(COC)CC2)C1 1184292313 LNZATKYZUYRABX-QWHCGFSZSA-N 307.394 -0.259 30 20 DBED C=CCNC[C@@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C[C@H]1C 1185752448 SFXNPSCILLJHIH-NEPJUHHUSA-N 320.397 -0.363 30 20 DBED C=CCOCCN[C@@H]1CCN(C(=O)[C@@H](C)NS(C)(=O)=O)C1 1185912494 FCXCGRAMAWWFFL-VXGBXAGGSA-N 319.427 -0.683 30 20 DBED CCc1oncc1C(=O)N1CC[C@@H](NCC(=O)NCC#N)C1 1185994647 XTRANQGEWHCCLL-SNVBAGLBSA-N 305.338 -0.319 30 20 DBED COCC#CCN(C)[C@H]1CCN(C(=O)CCn2cncn2)C1 1188894039 AAYNLJJILMJHSJ-AWEZNQCLSA-N 305.382 -0.149 30 20 DBED CN(CC(=O)NCC#N)[C@H]1CCN(C(=O)c2ccnn2C)C1 1189214894 NVYQCDQTJQRTAK-NSHDSACASA-N 304.354 -0.794 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)CCN(C)CC)[C@@H]2C1 1189659554 CYDBRROGBHFMNZ-LSDHHAIUSA-N 320.437 -0.390 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)C(C)(F)F)C1 1190639534 UFGQVSIKPQSQLV-OPRDCNLKSA-N 305.325 -0.506 30 20 DBED CC(C)(C)C#CC(=O)N[C@@H]1CN(CC(=O)N2CCCC2)C[C@H]1O 1192813493 JFUIAYCFFLGIHY-ZIAGYGMSSA-N 321.421 -0.180 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@@H]1CCN(C(=O)CN(C)CCC)C1 1193640870 FZCORHRKVHOUBM-HUUCEWRRSA-N 322.453 -0.001 30 20 DBED CCOc1nc(C(=O)N[C@@H]2CN(CC#CCOC)C[C@H]2O)co1 1194415272 HFEWWXWCFNOZHI-DGCLKSJQSA-N 323.349 -0.502 30 20 DBED CCNC(=O)CCC(=O)N1CCCN(CC(=O)NCC#N)CC1 1195260666 MHBKOGNORWFAKM-UHFFFAOYSA-N 323.397 -0.923 30 20 DBED CCNC(=O)NC(=O)[C@@H](C)NC1CCN(C(=O)[C@@H](C)C#N)CC1 1199817819 VNGDRYMSRALURU-WDEREUQCSA-N 323.397 -0.039 30 20 DBED C#CCCNC[C@H]1CN(C(=O)[C@@H]2CCCNC2=O)CCCO1 1200737676 RTJANMCIDRGDER-UONOGXRCSA-N 307.394 -0.257 30 20 DBED C[C@]1(C(=O)N2CCCO[C@H](CNCC#N)C2)CCC(=O)NC1 1201225660 NGWSWFAAXVTCAP-DOMZBBRYSA-N 308.382 -0.367 30 20 DBED CCN1CCO[C@@H](C(=O)N2CCC(NCC#CCOC)CC2)C1 1203797834 KFZQCWFVHOLYRA-MRXNPFEDSA-N 323.437 -0.063 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)Cn2cccn2)[C@H](C)C1 1205977920 HHIHHTCGSMVTTA-HZSPNIEDSA-N 317.393 -0.543 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1C 1206660169 YWZBXBHNWZWLHK-HBNTYKKESA-N 302.400 -0.868 30 20 DBED CCn1nncc1C(=O)N1CCC[C@H](NCC(=O)NCC#N)C1 1207982485 BGQPQHASBUPBIO-NSHDSACASA-N 319.369 -0.868 30 20 DBED CC#CCN[C@H]1CCCN(C(=O)CS(=O)(=O)CCOC)C1 1208436134 XOCCBHHPLXFZDE-ZDUSSCGKSA-N 316.423 -0.349 30 20 DBED C=CCOCCN1C[C@@H](NC(=O)C2CC(=O)NC(=O)C2)[C@H](C)C1 1209424031 FMEBSULAXILHOO-DGCLKSJQSA-N 323.393 -0.322 30 20 DBED COCC#CCN1C[C@@H](NC(=O)C[C@@H]2COC(=O)C2)[C@H](OC)C1 1212120685 SRHKIYXJQYINEA-BFHYXJOUSA-N 324.377 -0.595 30 20 DBED COCc1noc(CN2C[C@H](O)[C@H](NC(=O)[C@@H](C)C#N)C2)n1 1219379714 XFMROAOFWKQHQJ-AEJSXWLSSA-N 309.326 -0.963 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN([C@@H](C)c2csnn2)C[C@@H]1O 1219609117 CCXVATWTNHVWTC-LOWVWBTDSA-N 324.406 -0.200 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2ncccn2)C[C@@H]1O 1219613510 JVPWSSMAAPDEJK-OLZOCXBDSA-N 304.350 -0.822 30 20 DBED C=C(C)[C@H](CC(=O)N[C@@H]1CN(CC(=O)NC)C[C@@H]1O)OCC 1219726270 VZAUQRKPHVXQRM-AGIUHOORSA-N 313.398 -0.735 30 20 DBED CC#CCCCC(=O)N[C@@H]1CN(CC(=O)N2CCCC2)C[C@@H]1O 1220175848 HREWHUZYTDBAIW-CABCVRRESA-N 321.421 -0.036 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CN(CCCOCC)C[C@@H]2O)nn1 1220504970 ZSFZBZOFTLDVLB-OCCSQVGLSA-N 323.397 -0.334 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)CCNC(=O)c2ccco2)C1 1220929166 ZIHXQXRSAJIHAA-MNOVXSKESA-N 306.322 -0.916 30 20 DBED CCS(=O)(=O)N[C@H](C)C(=O)N1C[C@H]2CCN(CC#N)C[C@H]21 1221565941 QDAPLPLTNHHTGI-IJLUTSLNSA-N 314.411 -0.630 30 20 DBED CC#CCN1CC[C@@H]2CN(C(=O)CCNS(C)(=O)=O)[C@@H]2C1 1221591022 MISWXRSHZSSBEM-CHWSQXEVSA-N 313.423 -0.518 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)COCc3ncnn3C)[C@@H]2C1 1221910875 ZSOFYTPOHIYABA-CHWSQXEVSA-N 303.366 -0.502 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC(NC(=O)CN2CCCC2)CC1 1230267867 OOGNUEPBWRWBCG-AWEZNQCLSA-N 320.437 -0.199 30 20 DBED C#CCNC(=O)[C@H](C)N(C)CCCNC(=O)CNC(=O)CCC 1234641736 RUBQAHQTDOBSKU-ZDUSSCGKSA-N 324.425 -0.521 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)NC[C@@H]1COC(C)(C)O1 1261961435 VHBWNAGYXAGIRU-VXGBXAGGSA-N 312.366 -0.201 30 20 DBED C=CCn1c(CO)nnc1N1CCC[C@H](N2CCNC2=O)C1 1262984170 IVIOPGOCTLTZHS-NSHDSACASA-N 306.370 -0.050 30 20 DBED COCC#CCN[C@H]1CCN(C(=O)c2cccc(C(N)=O)n2)C1 1265949690 YTHHXPKAVPHBRI-LBPRGKRZSA-N 316.361 -0.366 30 20 DBED C=CCOCCCC(=O)OCC(=O)N[C@@H]1CCS(=O)(=O)C1 1318890492 UWMVVFFNXMQTIY-LLVKDONJSA-N 319.379 -0.184 30 20 DBED C=CCOCCN1C(=O)NC2(CCS(=O)(=O)CC2)C1=O 1324191806 PRTREAJSIQSQAN-UHFFFAOYSA-N 302.352 -0.312 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@@H]1C[C@H](OCC)[C@@H]1OC)[C@@H]1CCCO1 1324239055 PBTPRINTJDDRAN-ZUWCUPBKSA-N 324.377 -0.408 30 20 DBED C=CCNC(=O)[C@@H](C)S(=O)(=O)Cc1ncnn1CCF 1327048502 MICPBMIEQWINDF-SECBINFHSA-N 304.347 -0.147 30 20 DBED Cc1cncc(C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)c1 1341900166 YYUHNWOOIXIKGZ-GFCCVEGCSA-N 321.358 -0.031 30 20 DBED C#CCCCCNC(=O)C(=O)N(CC)[C@H]1CCS(=O)(=O)C1 1346474613 MVDCUYVXGRCHSM-LBPRGKRZSA-N 314.407 -0.058 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N1CC[C@@](F)(CO)C1 1352717907 UPTBRPVHVZJXAN-FZMZJTMJSA-N 300.330 -0.536 30 20 DBED C[C@@H](NC(=O)Cn1cc(C#N)c(O)nc1=O)c1ccn(C)n1 1362712902 MTXRFQABZUQELQ-MRVPVSSYSA-N 302.294 -0.569 30 20 DBED CCOC(=O)C1(S(C)(=O)=O)CCN(C[C@H](O)CC#N)CC1 1364689719 JWWQRUKOVYUKSJ-LLVKDONJSA-N 318.395 -0.297 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1(NC(N)=O)CC1 1374932679 YMGMVEDCAQCVIL-GUBZILKMSA-N 305.338 -0.841 30 20 DBED C[C@H](CNC(=O)c1cc(C#N)c[nH]1)N(C)C(=O)[C@H]1C[C@H]1C(N)=O 1382962866 ZMDQDFIPUXWTID-IEBDPFPHSA-N 317.349 -0.416 30 20 DBED COCCN(CCNC(=O)[C@@H](C)C#N)C(=O)c1ncccn1 1383330717 GZCUKSWZMZRWHF-NSHDSACASA-N 305.338 -0.159 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@@H](CNC(=O)c2cc(=O)n(C)cn2)C1 1384966943 KKGIBAOLWCAVJU-MXWKQRLJSA-N 317.349 -0.435 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](C)CCNC(=O)c1cc(C(N)=O)ccn1 1387520559 ITTPJANBAXOKFK-VHSXEESVSA-N 317.349 -0.035 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)C2=COCCC2)C1 1390424346 WPMOOOBIUGJVHT-XHDPSFHLSA-N 307.350 -0.080 30 20 DBED Cc1nn[nH]c1C(=O)NCCN1CCN(C(=O)[C@H](C)C#N)CC1 1396894614 XZLBWIOWGFSVLQ-SNVBAGLBSA-N 319.369 -0.853 30 20 DBED CC(C)CNC(=O)CN1CCN(CCNC(=O)[C@H](C)C#N)CC1 1402109081 ZJRRRJUTYJFPJZ-CQSZACIVSA-N 323.441 -0.348 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CCCN(C(=O)c2cn(C)c(=O)n2C)C1 1407417875 WIHJTRRSCPEGAJ-MNOVXSKESA-N 319.365 -0.396 30 20 DBED C[C@H](NS(C)(=O)=O)C(=O)N(C)CCN(C)C(=O)[C@H](C)C#N 1410009828 STGVSDIQKBIAGA-ZJUUUORDSA-N 318.399 -0.999 30 20 DBED C[C@@H](C#N)C(=O)N(C)C1CCN(C(=O)Cn2cnnn2)CC1 1412267306 WKJCEDCSODTVAN-JTQLQIEISA-N 305.342 -0.718 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CN(C)C(=O)CCCn1cncn1 1413336913 PXLZPNUDXQTZPL-RYUDHWBXSA-N 322.369 -0.847 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C)C(=O)[C@@H]1CCCN(C(N)=O)C1 1415598564 NQZKQLXNLSQJLE-WDEREUQCSA-N 309.370 -0.489 30 20 DBED N#Cc1cccc(CN2CC(NC(=O)CCn3cnnn3)C2)c1 1418990339 KNOUBKUPVRVFEV-UHFFFAOYSA-N 311.349 -0.065 30 20 DBED C[C@H](C#N)C(=O)NCCN1CCN(CC(=O)NCC2CC2)CC1 1419128150 LMHKEJFFJXJHGK-CYBMUJFWSA-N 321.425 -0.594 30 20 DBED C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)NC[C@@H](O)Cn1cccn1 1419708034 BIPHWMPEKJHHFY-WCQYABFASA-N 316.365 -0.148 30 20 DBED C=C(Cl)CN[C@H](C)CNC(=O)Cn1ccc(=O)n(C)c1=O 1419757938 QCHNZMDNBBCOTC-SNVBAGLBSA-N 314.773 -0.606 30 20 DBED COCC(=O)NC[C@@H](O)CNCc1cc(C#N)ccc1OC 1420081132 JEEAGEODVLVBQB-ZDUSSCGKSA-N 307.350 -0.220 30 20 DBED C=C(Cl)CNC[C@H](O)CNC(=O)CN1CCCCC1=O 1422330002 OYMDRVRTHMIKAK-NSHDSACASA-N 303.790 -0.182 30 20 DBED Cc1cn(C)nc1C(=O)N(C)C[C@H](O)CNC(=O)[C@H](C)C#N 1428195827 WROQLYRTVIDWTC-MWLCHTKSSA-N 307.354 -0.563 30 20 DBED CC(=O)N(C)CC(=O)N1C[C@H]2CCN(C(=O)[C@@H](C)C#N)C[C@H]21 1428947858 HAMXIMKZMARDRO-CYZMBNFOSA-N 306.366 -0.316 30 20 DBED Cc1ccnc2nc(C(=O)N[C@H](C)CNC(=O)[C@@H](C)C#N)nn12 1448169091 BJFXIDOGKJMFCI-DTWKUNHWSA-N 315.337 -0.173 30 20 DBED Cc1c(C(=O)N2CC[C@@H](CNC(=O)[C@@H](C)C#N)C2)nnn1C 1448265577 QQJRGNCDLDXQID-ONGXEEELSA-N 304.354 -0.139 30 20 DBED N#Cc1ncn(CCNC(=O)N2CC(N3CCCC3=O)C2)n1 1470104545 SOECALMZTBCTCA-UHFFFAOYSA-N 303.326 -0.834 30 20 DBED C[C@H](C#N)C(=O)N1CCN(CCN2CCCS2(=O)=O)CC1 1472943179 KDBINFGMHBRABI-GFCCVEGCSA-N 314.411 -0.674 30 20 DBED C[C@@H](C#N)C(=O)N(C)C1CCN(Cc2nc(=O)n(C)[nH]2)CC1 1490402618 QFIKEJAAXHXWNM-JTQLQIEISA-N 306.370 -0.309 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@H](NCC(=O)N(C)C)C2)cn1 1490852011 CETQUIJKVKSCQT-AWEZNQCLSA-N 300.362 -0.045 30 20 DBED C[C@H](CNC(=O)c1cnn(C)n1)N(C)C(=O)c1cc(C#N)c[nH]1 1508956646 ARAJTGUTQJBION-SECBINFHSA-N 315.337 -0.095 30 20 DBED C=CCCC[C@H](N)C(=O)N1CCCN(C(=O)CNC(C)=O)CC1 1522195490 HZKXXBXKPJRAAH-AWEZNQCLSA-N 324.425 -0.133 30 20 DBED CCCN(CCNC(=O)[C@@H](C)C#N)C(=O)[C@H](C)S(C)(=O)=O 1529652749 XZKNRWMIOQZRKQ-QWRGUYRKSA-N 317.411 -0.066 30 20 DBED Cc1nccn1CCCC(=O)NC[C@@H](O)CNC(=O)[C@H](C)C#N 1533298007 RRHNQHYAPUYFNX-DGCLKSJQSA-N 321.381 -0.275 30 20 DBED C#CC[C@]1(C(=O)N(C)Cc2nnc3n2CCNC3=O)CCCN1 1574503994 BKWRXPJZPPZNKW-OAHLLOKOSA-N 316.365 -0.875 30 20 DBED C#CCCCC(=O)NCCNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 1588340565 VHVCOPJVKIQART-UHFFFAOYSA-N 315.337 -0.156 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC([C@@H](O)C(=O)O)CC1 1589330617 LBMGDFCRFCQTST-GXSJLCMTSA-N 319.383 -0.520 30 20 DBED N#CCN(CC(=O)O)C(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 1601069185 JNZBUWKFQWAZQS-NEPJUHHUSA-N 311.338 -0.697 30 20 DBED C#CCNC(=O)CN1CCCN(c2cnc(C(=O)O)cn2)CC1 1602724509 AJXRPFVJZMSWDR-UHFFFAOYSA-N 317.349 -0.564 30 20 DBED C#CCNC(=O)CN1CCCN(c2nccc(C(=O)O)n2)CC1 1602724969 LVSDEHIZHYWYHN-UHFFFAOYSA-N 317.349 -0.564 30 20 DBED CNC(=O)COC(=O)[C@@H](C#N)Cc1ccc(-c2nn[nH]n2)cc1 1609288434 PXMJLUFNYIKMKE-LLVKDONJSA-N 314.305 -0.162 30 20 DBED Cc1cc(C#N)ccc1Cn1c(=O)c(-c2nn[nH]n2)cn(C)c1=O 1609393191 FPVTYAOECKZWMR-UHFFFAOYSA-N 323.316 -0.045 30 20 DBED C=CCOC[C@@H](NC(=O)C[C@@H]1CCCS(=O)(=O)C1)C(=O)O 1609432347 OOCLETINYPKVQS-WDEREUQCSA-N 319.379 -0.027 30 20 DBED N#CCCN(CCC#N)C(=O)COC(=O)CCc1nc[nH]n1 1645600627 PCWXWGRVSOBXML-UHFFFAOYSA-N 304.310 -0.064 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@@H](NC(=O)c2cnc(C)n2C)C1 1713086126 YQCWLOZLCFWAGN-WCQYABFASA-N 317.393 -0.329 30 20 DBED C#CCNC(=O)CN[C@@H](C)CNC(=O)[C@@H]1CCCCN(C)C1=O 1752913212 IOJVCYJCJHVQJL-STQMWFEESA-N 322.409 -0.911 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC[C@@H]1CNC(=O)Cc1cnoc1 1753110628 RGENCDIJJYBTSY-TZMCWYRMSA-N 318.377 -0.064 30 20 DBED N#CCN(CCNC(=O)CCc1nnc(O)nc1O)C1CC1 1753157701 UPPHUVGLBNBQNE-UHFFFAOYSA-N 306.326 -0.680 30 20 DBED C=CCNC(=O)CN1CCO[C@H](CNC(=O)c2cscn2)C1 1753655304 CRLLKRJWSBFIOB-LLVKDONJSA-N 324.406 -0.124 30 20 DBED C[C@@H](CNCC(=O)NC(=O)NC1CC1)N(C)C(=O)C#CC1CC1 1753689961 QXNSVLGNCMZCGO-NSHDSACASA-N 320.393 -0.176 30 20 DBED CCc1ccc(CC(=O)N[C@@H](C)CNCC(=O)NCC#N)nc1 1754284106 ZPFZUPNPDFGBPY-LBPRGKRZSA-N 317.393 -0.079 30 20 DBED C=CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)CCS(=O)(=O)N(C)C 1754431215 GLPMBNOXTYRERT-MDZLAQPJSA-N 301.412 -0.357 30 20 DBED N#CCNC(=O)CNC[C@@H](NC(=O)c1csnn1)C1CC1 1754446303 FTFQYUZHJQIAMN-SECBINFHSA-N 308.367 -0.724 30 20 DBED C=CCN1CC[C@@](O)(CNC(=O)c2ccn(CCN(C)C)n2)C1 1754751372 LNIJUPBUZJGBFN-MRXNPFEDSA-N 321.425 -0.203 30 20 DBED C=CCOCC(=O)N1CCC[C@H]2CN(CC(=O)NC(N)=O)C[C@H]21 1754869983 BJSULVHUXAFKSX-NWDGAFQWSA-N 324.381 -0.693 30 20 DBED C#CCNC(=O)CN1CCOC[C@@H]1CNC(=O)c1cncs1 1754963394 GRXFXWHBXFICGD-NSHDSACASA-N 322.390 -0.677 30 20 DBED C#CCCN1CCC[C@@H](NC(=O)CNC(=O)CNC(C)=O)CC1 1755026543 RJGPIKVTROHLCB-CQSZACIVSA-N 322.409 -0.767 30 20 DBED O=C(C#CC1CC1)N[C@H]1COC2(C1)CN(Cc1nc(O)n[nH]1)C2 1755061457 KNNKCYZFMWHGRZ-LLVKDONJSA-N 317.349 -0.617 30 20 DBED CCCS(=O)(=O)CC(=O)NC1(CO)CCN(CC#N)CC1 1755180641 DRMXCAHWJNFDME-UHFFFAOYSA-N 317.411 -0.722 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@H](C)CNC(=O)Cc1cc[nH]n1 1755293661 VAXXYZWVHBXFRZ-VXGBXAGGSA-N 305.382 -0.473 30 20 DBED C#CCNC(=O)CN[C@H](C)CN(C)C(=O)[C@@]1(C)CCCOC1 1755610712 IWHCMDYKAOBHEG-CJNGLKHVSA-N 309.410 -0.011 30 20 DBED C[C@@H]1C[C@@H](NCC(=O)NCC#N)CN1C(=O)c1cccc(O)n1 1755676591 WIYLPWPKGDWING-GHMZBOCLSA-N 317.349 -0.380 30 20 DBED C#CCCNC[C@H]1CC[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)C1 1755746285 GPYKGBYYXIVRCU-QWHCGFSZSA-N 320.393 -0.222 30 20 DBED C#CCCN(C)C[C@H](O)CN(C)C(=O)c1ccc2nnnn2c1 1755803204 OZKZGLJQEXGVRY-ZDUSSCGKSA-N 316.365 -0.488 30 20 DBED C#CCCCC(=O)NC1CC(CNC(=O)CS(C)(=O)=O)C1 1755933650 BCUFXXSMQFXSSI-UHFFFAOYSA-N 314.407 -0.155 30 20 DBED C[C@@H](CNC(=O)c1cnn(C)c1N)N(C)C(=O)C#CC1CC1 1756022178 ZOUDTXOTCYSZAO-JTQLQIEISA-N 303.366 -0.008 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H](C)N(C)C(=O)CCn1cnnn1 1756026332 DXKVXYUQODALBW-RYUDHWBXSA-N 322.369 -0.935 30 20 DBED C=CCOCC(=O)NC1(CCO)CN(C(=O)c2ccn(C)c2)C1 1756078789 YRBBOJHXXPSCHQ-UHFFFAOYSA-N 321.377 -0.079 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@H](CO)NC(=O)c1cc(C)ncn1 1756515666 NOXPXGPEKYKRLD-NHYWBVRUSA-N 322.365 -0.681 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(C(=O)c2cnn(C)c2N)[C@H]1C 1756559740 DWUATAPSFXNGBU-CMPLNLGQSA-N 321.381 -0.076 30 20 DBED C=CCOCC(=O)NC[C@@H](O)CN(C)C(=O)c1nc(C)c[nH]1 1756664484 ILOPFCDAOSHDHC-LLVKDONJSA-N 310.354 -0.530 30 20 DBED C[C@H](C#N)C(=O)NCC1=CCN(C(=O)[C@H]2CCN(C)C2=O)CC1 1756782774 BPBHKRMVZMHIBJ-YPMHNXCESA-N 318.377 -0.101 30 20 DBED C=CCCC(=O)N1C[C@@H]2CCN(C(=O)CNC(=O)NC)[C@@H]2C1 1756960763 UJFICKPYDTZSPT-NWDGAFQWSA-N 308.382 -0.059 30 20 DBED C=C(C)CCC(=O)N[C@@H]1CN(C(=O)[C@]2(C)CCNC2=O)C[C@@H]1O 1757179347 ORUKVDHFFWFQBJ-BFQNTYOBSA-N 323.393 -0.443 30 20 DBED C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)n3cccn3)C2)C1 1784527440 XYIIQTCUMLTVQK-XJKSGUPXSA-N 316.361 -0.093 30 20 DBED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccn3)[C@H]2C1 1785931397 RANSNSOHZNUCCV-OBJOEFQTSA-N 314.345 -0.297 30 20 DBED CC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC#N)C2 1795139725 XIRWELKCWXHFDK-JJLQDPRZSA-N 307.350 -0.141 30 20 DBED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)c1nc[nH]n1)C2 1841599755 LFRHOKVFOKFJEE-LLVKDONJSA-N 317.349 -0.340 30 20 DBED C=CCC(=O)N1CC2(CCCN2C(=O)CS(C)(=O)=O)C1 1842780609 ZPMLMTMPHQBGNB-UHFFFAOYSA-N 300.380 -0.190 30 20 DBED CCN(CC(=O)NCCCN(C)S(C)(=O)=O)C[C@@H](C)C#N 98134499 RWFAOVBJSVDGMG-LBPRGKRZSA-N 318.443 -0.134 30 20 DBED CN1CC[C@H](NC(=O)C(=O)Nc2ccc(F)cc2C#N)C1=O 175994686 VMCPDCVDBSEHKQ-NSHDSACASA-N 304.281 -0.017 30 20 DBED N/C(=N/CCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)N1CCOCC1 262812069 UPEZZDSSVAZKQH-WUHRBBMRSA-N 318.377 -0.560 30 20 DBED N#Cc1ccc(S(=O)(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)cc1 268329466 IGOHURDAPXJBAV-PWSUYJOCSA-N 309.347 -0.131 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCCc2ccncc2)C1=O 268857682 QFVQZBYAUUBRLK-UHFFFAOYSA-N 316.317 -0.283 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N[C@@H](C)[C@H](CO)SC 272861356 PUKCLDCXLHLGIH-UWVGGRQHSA-N 310.441 -0.001 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N[C@H](C)[C@H](CO)SC 272861360 PUKCLDCXLHLGIH-ZJUUUORDSA-N 310.441 -0.001 30 20 DBED C[C@@H](C(=O)NC(N)=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 292047678 AYNYAQWWFBTSNK-GXSJLCMTSA-N 303.322 -0.010 30 20 DBED C[C@H](NS(=O)(=O)c1cccnc1C#N)C(=O)N1CCOCC1 318804897 HXVLDOFYVLLVOR-JTQLQIEISA-N 324.362 -0.521 30 20 DBED C[C@H](N/C(O)=N/CCC(=O)N1CCN(C)CC1)c1nc[nH]n1 329287536 PEHALKYDTUGLCG-JTQLQIEISA-N 309.374 -0.467 30 20 DBED CC(C)N1C(=O)C[C@H](/N=C(/O)[C@@H]2CCS(=O)(=O)C2)C1=O 330088126 UKLUTXURNMPTKC-BDAKNGLRSA-N 302.352 -0.087 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CC(=O)N[C@H](C)C2)CC1 330875251 WBGOMVNBSJLCRU-OLZOCXBDSA-N 322.409 -0.653 30 20 DBED CCN(CCC#N)S(=O)(=O)N[C@]1(C)CCS(=O)(=O)C1 336899895 AYPCTSXJLLYSLH-SNVBAGLBSA-N 309.413 -0.366 30 20 DBED N#C[C@H]1CN(S(=O)(=O)NCc2nccn2C(F)F)CCO1 337082669 ZWAWEXJBALYCMQ-QMMMGPOBSA-N 321.309 -0.163 30 20 DBED COCC1(CNS(=O)(=O)N2CCO[C@H](C#N)C2)CCC1 337218257 AVDYMAPHXBXTMN-LLVKDONJSA-N 303.384 -0.138 30 20 DBED C=CCNC(=O)NC(=O)CN(CCC)[C@H]1CC(=O)N(C)C1=O 338320002 CFGUWUITPPPZNT-JTQLQIEISA-N 310.354 -0.533 30 20 DBED CCN(CC)CCOCCNc1c(C#N)c(=O)n(C)c(=O)n1C 347897973 GWPDIRAPTLJJMH-UHFFFAOYSA-N 323.397 -0.274 30 20 DBED C=C[C@H](CO)NS(=O)(=O)c1cccc(-c2nnnn2C)c1 349779608 VTVCYVKPIYKNMS-SNVBAGLBSA-N 309.351 -0.298 30 20 DBED Cn1ncc(C(=O)NC[C@@H]2CCCN2S(C)(=O)=O)c1C#N 356583039 TXLHJKIYBVOVDQ-VIFPVBQESA-N 311.367 -0.554 30 20 DBED C=CCCS(=O)(=O)NCCNS(=O)(=O)Cc1ccon1 360214442 BXEJHWURIAYCMJ-UHFFFAOYSA-N 323.396 -0.411 30 20 DBED COCC[C@@H]1COCCN1S(=O)(=O)N1CCO[C@@H](C#N)C1 360423687 ZDQIPLYQLGXGMS-NEPJUHHUSA-N 319.383 -0.807 30 20 DBED C=C(C)CNC(=O)CCS(=O)(=O)NCC(=O)NC(C)C 428119049 HKMAJUNHEFZTPW-UHFFFAOYSA-N 305.400 -0.487 30 20 DBED Cn1c(N2CC[C@@H]3C[C@@H](O)CC[C@H]3C2)c(C#N)c(=O)n(C)c1=O 450814796 RGHGGFHPUWGUNE-WOPDTQHZSA-N 318.377 -0.057 30 20 DBED C#CCN(C)CCCNS(=O)(=O)N1CCO[C@@H](C#N)C1 491201181 FVZUSMJRUBHZEE-LBPRGKRZSA-N 300.384 -1.000 30 20 DBED C#CCN1CCN(C(=O)CN2C(=O)O[C@@](C)(CC)C2=O)CC1 491626941 LZOZRWDZDGNPPQ-HNNXBMFYSA-N 307.350 -0.089 30 20 DBED C#CCN1CCN(C(=O)CN2CC[C@@H](OC(=O)N(C)C)C2)CC1 491705324 VDDRXVLFCDEJNH-CQSZACIVSA-N 322.409 -0.464 30 20 DBED C[C@H](CN1CCOCC1)NC(=O)C(=O)Nc1cccc(C#N)n1 519768852 LRHBZIANSJQWRI-LLVKDONJSA-N 317.349 -0.271 30 20 DBED C[C@H]1CN(C[C@H](O)CN2CCN(C(=O)CC#N)CC2)C[C@@H](C)O1 563363013 HTCGOCAVLGXXSR-QLFBSQMISA-N 324.425 -0.486 30 20 DBED CC(C)(C#N)CCS(=O)(=O)NCCN1CCCS1(=O)=O 568918728 MCFVEWKDPBICCX-UHFFFAOYSA-N 323.440 -0.119 30 20 DBED Cn1ncc(C#N)c1N1CCN(C(=O)C(=O)N2CCCC2)CC1 596081902 BPBROJGNOGKEMO-UHFFFAOYSA-N 316.365 -0.437 30 20 DBED N#CCCN1CCN(C(=O)NCCCN2CCOCC2)CC1 602223775 ZJACXZYDDOZARB-UHFFFAOYSA-N 309.414 -0.050 30 20 DBED C[C@H](COCC1CC1)NC(=O)C(=O)N1CCN(CCC#N)CC1 602282492 OZIUFMODHSOIHD-CYBMUJFWSA-N 322.409 -0.024 30 20 DBED N#Cc1ccc(N2CCC[C@H]2C(=O)NCC(=O)NCCO)cc1 610950633 CMRHUJVCIKUILH-AWEZNQCLSA-N 316.361 -0.248 30 20 DBED N#Cc1ccc(N2CCC[C@@H]2C(=O)NCC(=O)NCCO)cc1 610950635 CMRHUJVCIKUILH-CQSZACIVSA-N 316.361 -0.248 30 20 DBED C=CCCOCCNC(=O)[C@@H]1CCCN1C(=O)CNC(C)=O 677465903 BBKSKEIPWNKYEG-ZDUSSCGKSA-N 311.382 -0.178 30 20 DBED C=CCN(C(=O)[C@@H]1CCN(C)C1=O)[C@H]1CCS(=O)(=O)C1 681536976 XAOZUUQWBFTQNE-WDEREUQCSA-N 300.380 -0.334 30 20 DBED C[C@@H](Sc1nnnn1C1CC1)C(=O)N(CC#N)CC(=O)O 736714524 HWXPGQFSVXEYGR-SSDOTTSWSA-N 310.339 -0.075 30 20 DBED N#CCN(CC(=O)O)C(=O)Cc1ccc(-n2cnnn2)cc1 739078150 ATFKEQIYAGSUEW-UHFFFAOYSA-N 300.278 -0.358 30 20 DBED C#CCCN1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 762294269 ORYNCPLPLLAJIN-CQSZACIVSA-N 307.354 -0.207 30 20 DBED C#C[C@@H](NC(=O)CCCN1C(=O)CN(C)C1=O)[C@@H]1CCCO1 772886245 DDLAQIAEJSJOGE-NEPJUHHUSA-N 307.350 -0.042 30 20 DBED Cn1c(N2CCC3(CC2)CNC(=O)O3)c(C#N)c(=O)n(C)c1=O 780652575 YMVHYUHGXKSJLQ-UHFFFAOYSA-N 319.321 -0.966 30 20 DBED C[C@@H]1COC(=O)C1=NNC(=S)NCCCN1CCOCC1 794869914 FVDHXUOVUWZVMI-SNVBAGLBSA-N 314.411 -0.278 30 20 DBED C#CCC[C@H](O)CNS(=O)(=O)c1cnn([C@H]2CCOC2)c1 798485820 KSANKLHNJCBDFH-RYUDHWBXSA-N 313.379 -0.103 30 20 DBED C#CCC[C@H](O)CNC(=O)C(=O)Nc1cc(C)[nH]c1C(=O)OC 799283292 CETCFLAZBQMOKN-JTQLQIEISA-N 321.333 -0.061 30 20 DBED Cc1ccc([C@H](O)CNS(=O)(=O)N2CCO[C@H](C#N)C2)o1 800059549 IOCPTMIBNSKGQG-GHMZBOCLSA-N 315.351 -0.320 30 20 DBED CNS(=O)(=O)N1CCC(C(=O)OCC#CCOC)CC1 803936000 MRRYFTYUYKWABG-UHFFFAOYSA-N 304.368 -0.644 30 20 DBED COc1cccc(C2=NO[C@@H](C(=O)NCC(=O)NCC#N)C2)c1 804822415 QEIVZYSRRNGDFA-CYBMUJFWSA-N 316.317 -0.056 30 20 DBED CC#CCS(=O)(=O)NC(=O)C1CCN(S(C)(=O)=O)CC1 810778833 OPJFNIMJHDNYGH-UHFFFAOYSA-N 322.408 -0.873 30 20 DBED C=CCNC(=O)CNC(=O)C(=O)Nc1ccsc1C(=O)O 833377268 UDPBSLYJTLVISJ-UHFFFAOYSA-N 311.319 -0.197 30 20 DBED COCCn1c(=C(C#N)C#N)sc(=Cc2cnn(C)c2)c1=O 838242393 KFGBSYYMNMDTGD-UHFFFAOYSA-N 315.358 -0.684 30 20 DBED C=C(C)CONC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 845593056 UYUJLQGIVUILHF-UHFFFAOYSA-N 324.381 -0.030 30 20 DBED C=C[C@@H](C)ONC(=O)NCCC(=O)N1CCN(C(C)=O)CC1 845636835 RWFMNTGNICBVCY-LLVKDONJSA-N 312.370 -0.128 30 20 DBED C#CCNC(=O)COC(=O)C1(O)CN(C(=O)OC(C)(C)C)C1 848782660 UNTROTDHLFPXGC-UHFFFAOYSA-N 312.322 -0.739 30 20 DBED CC(=O)N1CCc2ccc(S(=O)(=O)NCC#CCO)cc21 867467628 RTCGVZBWZRNPRX-UHFFFAOYSA-N 308.359 -0.130 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N1CCn2cnnc2[C@@H]1C 875596812 UGWAYDHOYKQDFE-NWDGAFQWSA-N 319.365 -0.274 30 20 DBED N#C[C@@]1(NC(=O)CN2CCCCS2(=O)=O)CCSC1 878222195 BKZHWZWUOLJHHW-NSHDSACASA-N 303.409 -0.073 30 20 DBED N#Cc1ccccc1OC[C@@H](O)CN1C[C@@H](CO)[C@@H](CO)C1 879696877 PFHGIUQDTBVLIK-ZNMIVQPWSA-N 306.362 -0.169 30 20 DBED CN(C)CC#CCNC(=O)CNC(=O)COc1ccccc1 913515035 GFQSGKDHGWOMRR-UHFFFAOYSA-N 303.362 -0.137 30 20 DBED CC(C)[C@H](C(=O)NCC#CCN(C)C)N1CCCS1(=O)=O 913519537 DQDIABWJFRFMKK-CYBMUJFWSA-N 315.439 -0.272 30 20 DBED C#CCN1CCC[C@H](NC(=O)[C@H]2CC(=O)N(CCOC)C2)C1 923588152 HYZANKSTENWHDX-KBPBESRZSA-N 307.394 -0.305 30 20 DBED CN(C(=O)[C@@]1(C)CNC(=O)C1)[C@@H]1CCN(C(=O)C#CC2CC2)C1 937349729 KMOGHRFLNAWATG-CXAGYDPISA-N 317.389 -0.015 30 20 DBED CN(C(=O)C[C@H]1CCNC1=O)[C@H]1CCN(C(=O)C#CC2CC2)C1 937352918 JUVRAMLXTLXPOV-KGLIPLIRSA-N 317.389 -0.015 30 20 DBED O=C1NCCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)C#CC2CC2)C1 941012330 QTIYJRHTUUNVJD-CHWSQXEVSA-N 303.362 -0.357 30 20 DBED CO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1NC(=O)c1nn(C)cc1C 941744247 OAMBYLCXAQCWSA-MVWJERBFSA-N 319.365 -0.156 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2nnc(O)nc2O)[C@H](C)C1 942306356 XGRHGKRJHAKVFS-NXEZZACHSA-N 305.338 -0.254 30 20 DBED CO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1NC(=O)Cn1cncc1C 943268248 WOEBBYUICZRLEQ-RAIGVLPGSA-N 319.365 -0.307 30 20 DBED C#CCN1CC[C@H](NC(=O)CN2CC(=O)N(C)C2=O)[C@H](C)C1 944134519 DUNFEZXZJIDGSK-NEPJUHHUSA-N 306.366 -0.660 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCN(CC(=O)NC)[C@H](C)C2)nn1 947792709 QTLCPTYHVJIJOW-NEPJUHHUSA-N 320.397 -0.207 30 20 DBED C[C@H](C#N)C(=O)N1CCC(NC(=O)[C@@H]2CCC(=O)N2C)CC1 948110332 WFRSBFMCQZJQNM-PWSUYJOCSA-N 306.366 -0.126 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]1CNC(=O)c1ccc2nnnn2c1 951063774 OEMGHFBFFIHCOH-MWLCHTKSSA-N 313.321 -0.385 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]1CNC(=O)c1cc(C(N)=O)cn1C 951308253 ZMCVWKNEPSDTKJ-GXSJLCMTSA-N 317.349 -0.386 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@@H]2CNC(=O)[C@H]2CCNC2=O)c1 951460577 ZELWWQUEKSJDQI-MNOVXSKESA-N 315.333 -0.647 30 20 DBED Cn1cc(C(=O)NC[C@@H]2CCN2C(=O)C#CC2CC2)ncc1=O 951488550 XZOXVBKMJNKEAT-LBPRGKRZSA-N 314.345 -0.476 30 20 DBED C#Cc1ccc(C(=O)N2CC(N(C)C(=O)c3cnnn3C)C2)nc1 954184560 KJFDUKOOAHPRER-UHFFFAOYSA-N 324.344 -0.212 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@H](C)C#N)C1 954630827 LGAOQWDSVKVHNY-JSGCOSHPSA-N 302.378 -0.087 30 20 DBED CC#CCN1C[C@H](CNC(=O)c2cnn3c2OCCC3)[C@@H](O)C1 958220279 WFMFQDRPEZJEIX-JSGCOSHPSA-N 318.377 -0.289 30 20 DBED C=CCCN1C[C@H](O)[C@H](CNC(=O)c2cccc(=O)n2C)C1 958394331 CQGJXFFJDZJWAC-OCCSQVGLSA-N 305.378 -0.016 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](CNC(=O)c2cccc(=O)n2C)C1 958394668 HYIIDURTBHIVLF-OCCSQVGLSA-N 305.378 -0.016 30 20 DBED CC#CCN1C[C@@H](O)[C@H](CNC(=O)c2ccc(C(N)=O)[nH]2)C1 958409539 UPSBZRWBNQMHEW-ZWNOBZJWSA-N 304.350 -0.841 30 20 DBED CC#CCN1C[C@@H](O)[C@H](CNC(=O)c2cnn3cc[nH]c23)C1 958619353 ROYUBSVOFROMTP-DGCLKSJQSA-N 301.350 -0.292 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1n[nH]cc1F 960908212 XJCCLRYTBIPXDQ-INTQDDNPSA-N 321.312 -0.240 30 20 DBED C#CCCN1C[C@H]2C(NC(=O)Cn3nnnc3C(C)C)[C@@H]2C1 961988607 WCPOKJNCLHCBIK-VXGBXAGGSA-N 302.382 -0.134 30 20 DBED C#CCCN1C[C@@H]2C(NC(=O)CN3C(=O)NC(=O)C3(C)C)[C@H]2C1 962192007 KNNKESNKBPFHSH-QWRGUYRKSA-N 318.377 -0.614 30 20 DBED CO[C@@H](C)C(=O)N1C[C@H](O)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 962328182 CSDRCTUKUVKCCW-AXTRIDKLSA-N 306.322 -0.777 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)Cn3cnnn3)C2)cc1 973856715 GNYOIWRSJRTXCB-OKILXGFUSA-N 324.344 -0.268 30 20 DBED CC(=O)N1CC(C(=O)N(C)C[C@@H]2CCN2C(=O)C#CC2CC2)C1 977638138 KRTYXZSFPCKPRY-HNNXBMFYSA-N 317.389 -0.063 30 20 DBED C=CCN[C@@H]1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)[C@@H]1C 987187077 AFYZSTRCCMVMOX-VXGBXAGGSA-N 306.366 -0.308 30 20 DBED CN1CCC[C@H]1C(=O)NC1CN(C(=O)c2ccc(C#N)[nH]2)C1 990507377 BZNOPOHTHHUNQD-ZDUSSCGKSA-N 301.350 -0.079 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@H](NC(=O)Cc2nc[nH]n2)[C@@H](O)C1 991807203 USMXHGUPDCPINO-QWRGUYRKSA-N 321.381 -0.363 30 20 DBED CC(C)c1nnnn1CC(=O)NC1CN(C(=O)[C@H](C)C#N)C1 991955580 JSALMYYVUQKCBQ-SECBINFHSA-N 305.342 -0.717 30 20 DBED C=CCN1CC[C@]2(NC(=O)c3cn(CC(N)=O)nn3)CCC[C@H]12 992523735 IUQBPSUADONUSY-SWLSCSKDSA-N 318.381 -0.324 30 20 DBED C[C@H](C#N)C(=O)N1CC(NC(=O)c2ccc3nnc(O)n3c2)C1 995377075 JJSSXOMLSJGPGP-MRVPVSSYSA-N 314.305 -0.465 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)c3nnn(C)c3C)C2)nc1 997087205 DYZNGNFEEBKNRC-UHFFFAOYSA-N 324.344 -0.246 30 20 DBED COc1ncc(C(=O)NC2CN(C(=O)C#CC3CC3)C2)cn1 998982306 HGRVLEXCBZRULO-UHFFFAOYSA-N 300.318 -0.161 30 20 DBED C#CCN1CC=C(CNC(=O)c2coc(S(N)(=O)=O)c2)CC1 1000847309 RQUWEIKTSVQOAQ-UHFFFAOYSA-N 323.374 -0.078 30 20 DBED CCn1nnc(C)c1C(=O)NCC1CN(C(=O)[C@H](C)C#N)C1 1002380981 YROYCQSTVYMPIM-SECBINFHSA-N 304.354 -0.046 30 20 DBED C#Cc1ccc(C(=O)NCC2CN(C(=O)c3cnon3)C2)nc1 1003468572 UECRGZBKXOEIRX-UHFFFAOYSA-N 311.301 -0.052 30 20 DBED CC#CCN1CCC(NC(=O)CN2C(=O)NC(C)(C)C2=O)CC1 1004094280 JWKVOEFFTDCDRF-UHFFFAOYSA-N 320.393 -0.079 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)C1CCN([C@@H](C)C(N)=O)CC1 1005519102 SXPLHTPDLBFFIP-ZFWWWQNUSA-N 320.437 -0.119 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@H]1CN2C(=O)c1cn(C)nn1 1007299179 AEVFEWHGTQYILB-GARJFASQSA-N 302.338 -0.210 30 20 DBED CC#CCN1CCC[C@@H](NC(=O)CN2CCN(C)C(=O)C2)C1 1007698212 ZGJOEWYKFQEXEO-CQSZACIVSA-N 306.410 -0.636 30 20 DBED C#CCN1CCC2(CC1)C[C@H]2NC(=O)c1cn(C)c(=O)n1C 1016990849 SSNZUUCICHHJSU-CYBMUJFWSA-N 302.378 -0.059 30 20 DBED C=CCN[C@H]1CCN(C(=O)C[C@@]2(C)CCS(=O)(=O)N2)C1 1019702081 QBIRSCJSKSNORP-WCQYABFASA-N 301.412 -0.165 30 20 DBED CCc1cc(C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2O)n[nH]1 1023093266 ZWZVHFLASUXOKQ-ZIAGYGMSSA-N 316.361 -0.313 30 20 DBED N#CCN[C@@H]1CC[C@@H]2CN(C(=O)c3nnc(O)nc3O)C[C@@H]21 1026304084 JWHPCSLMYZJJQV-HRDYMLBCSA-N 304.310 -0.753 30 20 DBED CN1CCC[C@H](N2CC(NC(=O)c3cc(C#N)c[nH]3)C2)C1=O 1030197149 VOBDSARPAXMAJY-ZDUSSCGKSA-N 301.350 -0.079 30 20 DBED CC(=O)NCc1ccc(C(=O)NC[C@H]2CN(CC#N)CCO2)o1 1035551656 ZDCIPHSANLVVIF-ZDUSSCGKSA-N 320.349 -0.130 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H]2CCN2Cc2nc(O)n[nH]2)c1 1038141735 XZGICWUGNMGXFP-SECBINFHSA-N 301.310 -0.286 30 20 DBED CCC(=O)N1CCC(=O)NCCN(c2nccnc2C#N)CC1 1039659247 RJNQCWYQFPRXPP-UHFFFAOYSA-N 316.365 -0.087 30 20 DBED C#CCCCC(=O)N1CC[C@](O)(CNC(=O)c2ncccn2)C1 1040674155 SPBORQZWIPGLGN-INIZCTEOSA-N 316.361 -0.027 30 20 DBED C=CCCC1(C(=O)NC[C@]2(O)CCN(C(=O)CC(N)=O)C2)CC1 1040807275 PEZHPCRIWUWQGG-MRXNPFEDSA-N 323.393 -0.312 30 20 DBED Cc1ncc(C(=O)N[C@@H]2CN(c3nccnc3C#N)C[C@H]2O)[nH]1 1040951992 MEDFDXZKRZLBOG-VXGBXAGGSA-N 313.321 -0.641 30 20 DBED Cc1cc(C(=O)NCC2(O)CN(C(=O)C#CC(C)C)C2)on1 1041436423 GDOROTFQCXVCQF-UHFFFAOYSA-N 305.334 -0.054 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(O)(CNC(=O)c2ccon2)C1 1041706433 JWDKPMUPSIKHFZ-PWSUYJOCSA-N 321.333 -0.431 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2ccon2)C1 1041709855 BBWSBZNMCRIORZ-JTQLQIEISA-N 309.322 -0.431 30 20 DBED C=CCN1CC[C@@]2(CCN(C(=O)Cn3c(O)nnc3O)C2)C1 1041804665 BCPAKBMKMARUBF-CQSZACIVSA-N 307.354 -0.200 30 20 DBED C=CCCOCC(=O)N1CC(O)(CNC(=O)[C@H](C)COC)C1 1042036152 XWNZACMFVIKLPZ-GFCCVEGCSA-N 314.382 -0.449 30 20 DBED C#CCCCCC(=O)NCC1(O)CN(C(=O)c2cnccn2)C1 1042658408 HJJVDYWUVYNIPR-UHFFFAOYSA-N 316.361 -0.027 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)c2ccns2)C1 1043042906 YIURSRZYAFWPCK-SNVBAGLBSA-N 323.374 -0.516 30 20 DBED CC(C)c1n[nH]cc1C(=O)NCC1(O)CN(C(=O)[C@H](C)C#N)C1 1043799433 DPXSEBSQXSYUCP-SNVBAGLBSA-N 319.365 -0.004 30 20 DBED N#Cc1nccc(N2C[C@H](O)[C@H](NC(=O)c3cscn3)C2)n1 1043869281 NRPBZURGHOXOSD-SCZZXKLOSA-N 316.346 -0.216 30 20 DBED Cc1[nH]ccc1C(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1043882818 FZWYXFISQCUVGI-OLZOCXBDSA-N 312.333 -0.036 30 20 DBED C=C[C@@H](C)[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2cnn(C)n2)C1 1043891243 SALQOWPZXAEAIA-GHMZBOCLSA-N 321.381 -0.424 30 20 DBED Cc1nc(N2C[C@H](O)[C@H](NC(=O)c3nc[nH]n3)C2)ccc1C#N 1044109856 ZWXMKORLVFOJAH-MNOVXSKESA-N 313.321 -0.641 30 20 DBED C=CCN1CC[C@H](NC[C@@H]2CCCN2C(=O)c2nc[nH]n2)C1=O 1045245680 RABQYNABXUNYJQ-RYUDHWBXSA-N 318.381 -0.214 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)c2ccc(F)cn2)C1 1045540189 DVWCCOGMIPNSHT-SECBINFHSA-N 306.297 -0.317 30 20 DBED C[C@]1(C(=O)N2CCN([C@H]3CCN(CC#N)C3)CC2)CCNC1=O 1046060987 HASJBPMTHOFMKK-BBRMVZONSA-N 319.409 -0.745 30 20 DBED C=C1CC(C)(C(=O)NCC2(O)CN(C(=O)Cn3ccnc3)C2)C1 1046311536 DTFNHHYOKRPADN-UHFFFAOYSA-N 318.377 -0.071 30 20 DBED N#Cc1nc(=N[C@H]2C[C@H](CNC(=O)[C@H]3CCNC3=O)C2)cc[nH]1 1046982201 KEFXTMQSZNYEPV-DCAQKATOSA-N 314.349 -0.787 30 20 DBED Cc1[nH]nc2ncc(C(=O)N(C)[C@H]3CN(CC#N)C[C@@H]3O)cc12 1047629028 PXTWRKXXRRAVHV-STQMWFEESA-N 314.349 -0.093 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CN([C@H](C)c3nnnn3C)C[C@@H]2C1 1048727802 MUUFNKOHAJKWSW-WHOHXGKFSA-N 303.370 -0.179 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CN(C)C2CCC2)C1 1049003568 LVNNEKVZCVBHAO-XBFCOCLRSA-N 322.409 -0.340 30 20 DBED Cc1nn(C)cc1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)C#N)C1 1049389624 ZHPHGLQSJFFWFD-XDTLVQLUSA-N 319.365 -0.468 30 20 DBED CC(C)C#CC(=O)N[C@H](C)[C@H]1CCN(C(=O)Cn2ncnn2)C1 1050809959 WNTLCNJKCNBDKM-OLZOCXBDSA-N 318.381 -0.314 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H]1COCCN1CC#CC 1050962682 NYLIGMHGGMIWFE-HOTGVXAUSA-N 303.406 -0.076 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1COCCN1CC(N)=O 1051165071 WEIXRTDCVRHXQI-OBJOEFQTSA-N 311.382 -0.730 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@@H]1C 1052501408 AXAOFMLHXZYYKS-NWDGAFQWSA-N 321.381 -0.158 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)[C@H]1CCCC(=O)N1)CCO2 1053298120 GYKFMGFBGPTFML-CYBMUJFWSA-N 305.378 -0.408 30 20 DBED N#CCN1CC2(C1)CN(C(=O)[C@@H]1CCCS1(=O)=O)CCO2 1053539272 QFZPRVADNZFAIK-NSHDSACASA-N 313.379 -1.000 30 20 DBED C=CCCN1CC2(CC[C@H](CNC(=O)[C@@H]3CNC(=O)N3)O2)C1 1053655353 JUGSLIGUVYFPLL-NEPJUHHUSA-N 308.382 -0.407 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)[C@]3(C)CCC(=O)N3)CO2)C1 1053917464 LDMBPHLLJHSAKE-WFASDCNBSA-N 305.378 -0.362 30 20 DBED CC(C)(C)C#CC(=O)NC1CCN(CCNC(=O)C(N)=O)CC1 1055628878 JYYDTXBXNWNNMW-UHFFFAOYSA-N 322.409 -0.782 30 20 DBED C[C@H](C#N)C(=O)NCCN1CCC(NC(=O)c2cc[nH]n2)CC1 1055629511 CCJZHYOWFQYQCM-LLVKDONJSA-N 318.381 -0.120 30 20 DBED N#Cc1cncc(N2CCN(C(=O)C[C@H]3COC(=O)C3)CC2)n1 1055769393 MFJARKPYDZSJAK-LLVKDONJSA-N 315.333 -0.050 30 20 DBED Cn1nncc1C(=O)NC1[C@@H]2CN(c3cncc(C#N)n3)C[C@@H]12 1056195921 WPVVBXADBKREJZ-NXEZZACHSA-N 310.321 -0.659 30 20 DBED CN1CCOC[C@@H]1C(=O)N1CC[C@@H](Nc2cncc(C#N)n2)C1 1056609255 SIWQSJWINUKYDF-DGCLKSJQSA-N 316.365 -0.308 30 20 DBED C[C@]1(C(=O)N2CC[C@@H](Nc3nccnc3C#N)C2)CCNC1=O 1056777418 WKLUBHWDIUGYBU-BMIGLBTASA-N 314.349 -0.113 30 20 DBED C#CCOCCC(=O)NCCN(CCO)C(=O)[C@@H](C)OCC 1057065507 LBSFLAFTJQPFMS-CYBMUJFWSA-N 314.382 -0.612 30 20 DBED Cc1cc(C(=O)N(CCO)CCNC(=O)C#CC(C)C)nn1C 1057107271 JINUNHUGEINCBB-UHFFFAOYSA-N 320.393 -0.061 30 20 DBED C=CCCOCC(=O)NCCN(CCO)C(=O)[C@@H](CC)OC 1057156695 HXHQCZNBRXRGJX-CYBMUJFWSA-N 316.398 -0.059 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)[C@@H]1CCCO1 1057194055 XUCQTMVLNFGXSL-LBPRGKRZSA-N 300.355 -0.695 30 20 DBED C=CCC(CC=C)C(=O)N(CCO)CCNC(=O)CC(N)=O 1057680883 PAECPHYVCQGFDH-UHFFFAOYSA-N 311.382 -0.433 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N(CCO)CCNC(=O)COC 1057732659 SGSLFSTVXPAOLX-OLZOCXBDSA-N 314.382 -0.449 30 20 DBED N#Cc1nc(=N[C@H]2CCCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)cc[nH]1 1057760476 SZQDSMRNXKGOBQ-AXFHLTTASA-N 314.349 -0.706 30 20 DBED N#Cc1nc(=N[C@H]2CCN(C(=O)c3csnn3)C2)cc[nH]1 1059015079 RTJVPFBCFHTCRY-QMMMGPOBSA-N 301.335 -0.052 30 20 DBED N#Cc1cnc(N[C@H]2C[C@H](NC(=O)C[C@H]3CCNC3=O)C2)cn1 1059324861 WKQQLHRRTYNDIX-GMTAPVOTSA-N 314.349 -0.066 30 20 DBED C#CCNC(=O)CC(=O)N1CCC2(CC1)CN(C(=O)COC)C2 1060875003 LBKCRUFAUUXMHZ-UHFFFAOYSA-N 321.377 -0.777 30 20 DBED C=CCOCC(=O)NC[C@@H]1COCCN1C(=O)c1c[nH]nc1C 1061419369 JYCQYFNTMZJFEF-GFCCVEGCSA-N 322.365 -0.122 30 20 DBED N#Cc1cnc(N2CCC[C@H]2CNC(=O)[C@@H]2CNC(=O)N2)cn1 1061440468 FGVZBAYUFOVECX-QWRGUYRKSA-N 315.337 -0.885 30 20 DBED C=CCCOCC(=O)NC[C@H]1COCCN1C(=O)c1cn[nH]c1 1061667136 ZQCYGIHLDUDQEL-ZDUSSCGKSA-N 322.365 -0.040 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)CCn1ccnc1 1061735569 SRIMMNBRSXIDSP-STQMWFEESA-N 319.365 -0.224 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)Cc1cnc[nH]1 1061928892 GWSNEZZVQCPAJZ-PWSUYJOCSA-N 305.338 -0.545 30 20 DBED Cc1ccc(C#N)c(N2C[C@H]3C[C@H]2[C@H]3NC(=O)c2nnn(C)n2)n1 1064325009 ROHDLEXENVQAOB-WOPDTQHZSA-N 324.348 -0.208 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CN(C(=O)c2nccnc2N)CCO1 1064994055 XLZWCGAGVNQADI-UWVGGRQHSA-N 318.337 -0.824 30 20 DBED Cc1c(C(=O)N2CCO[C@H](CNC(=O)[C@H](C)C#N)C2)nnn1C 1065007315 GFJACYZBGZWOCE-MWLCHTKSSA-N 320.353 -0.760 30 20 DBED C#CCNC(=O)CC(=O)N1CCO[C@H](CNC(=O)CCCC)C1 1065064135 UACYMEAUTLDKLP-CYBMUJFWSA-N 323.393 -0.340 30 20 DBED NC(=O)C1(C(=O)NC[C@H]2CN(C(=O)C#CC3CC3)CCO2)CC1 1065136886 IPDUTVAQNSIHGT-LBPRGKRZSA-N 319.361 -0.991 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CN(C(=O)CCc2cnc[nH]2)CCO1 1065271749 WTDZWKNGJQQBFM-DGCLKSJQSA-N 319.365 -0.154 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CN(C(=O)CCn2ccnc2)CCO1 1065387320 AXSXIBPJLLWCPH-CHWSQXEVSA-N 319.365 -0.224 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2ccncn2)CCO1 1065505534 RXGJSFGPDCPLGQ-LBPRGKRZSA-N 320.349 -0.364 30 20 DBED N#Cc1cnc(N[C@]2(CO)CCCN(C(=O)C(N)=O)C2)c(F)c1 1066920496 SKTDOYNLSNTVJK-CQSZACIVSA-N 321.312 -0.657 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@@H](CNC(=O)c3cncnc3)C2)cn1 1067664881 GVSVJZHOIMIUKR-SWLSCSKDSA-N 324.344 -0.030 30 20 DBED N#Cc1cnccc1N1C[C@@H](O)[C@@H](CNC(=O)c2nc[nH]n2)C1 1067676064 LVDFXNICYBHVIH-CMPLNLGQSA-N 313.321 -0.702 30 20 DBED CN(C[C@H]1CCCN1C(=O)CC(N)=O)c1nccnc1C#N 1067744387 UUDOHESQEIUPBR-SNVBAGLBSA-N 302.338 -0.349 30 20 DBED N#Cc1ccc(NC[C@H]2C[C@H](NC(=O)Cn3ncnn3)C2)cn1 1068531053 ODYBIQJKHJJCFS-MJHDQNEOSA-N 312.337 -0.053 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1COC2(C1)CN(C(=O)c1cnns1)C2 1069004042 SABIJWDQRPHVJC-RKDXNWHRSA-N 321.362 -0.203 30 20 DBED C#CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2cnsn2)C1 1069900176 RGGDUAICUNFWDO-NEPJUHHUSA-N 317.378 -0.192 30 20 DBED C=CCOCC(=O)N1CCC[C@@H](NC(=O)C2(NC(N)=O)CC2)C1 1070554018 CNVMJWLMUOFDEQ-LLVKDONJSA-N 324.381 -0.503 30 20 DBED CC#CCN1C[C@H]2C[C@@H]3CN(C(=O)[C@@H]4COCCO4)C[C@@]3(C1)O2 1070766602 CZTYLDONKHRNHI-PNBKFKSVSA-N 320.389 -0.273 30 20 DBED CC#CCN1C[C@H]2C[C@H]3CN(C(=O)[C@@H]4COCCO4)C[C@@]3(C1)O2 1070766603 CZTYLDONKHRNHI-QSJFSLAZSA-N 320.389 -0.273 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)[C@@]4(C)CNC(=O)C4)C[C@@]3(C1)O2 1070828195 KTVTVIHJRDGTCY-NSNWQYSKSA-N 317.389 -0.553 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CCCN(C(=O)COCCN(C)C)C1 1071015116 QOLYXXDYHCTDDG-CHWSQXEVSA-N 310.398 -0.169 30 20 DBED CNC(=O)CN1CC[C@@]2(C1)CN(C(=O)C#CC1CC1)C[C@H](C)O2 1071164524 OXYHTFADAXQIFP-SUMWQHHRSA-N 319.405 -0.162 30 20 DBED C=CCOCC(=O)N1C[C@@H](C)[C@@H](NC(=O)CCNC(N)=O)C1 1071812568 UXVWWNKWZOFUMM-MNOVXSKESA-N 312.370 -0.790 30 20 DBED CNC(=O)NCC(=O)N[C@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1C 1072062639 GANFRMSIRJDMDT-NEPJUHHUSA-N 322.409 -0.072 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(C(=O)c2cnon2)C[C@H]1C 1072584269 GELSCRXPWOODSG-ZYHUDNBSSA-N 306.322 -0.314 30 20 DBED C#CCCCC(=O)N1CCC(C)(NC(=O)[C@H]2CNC(=O)N2)CC1 1072986597 DCVNZXOIKBRYQC-GFCCVEGCSA-N 320.393 -0.031 30 20 DBED C#CCCN1CCO[C@H]2CCN(C(=O)CN3CCOCC3)C[C@@H]21 1074216288 WEWSVJIZHCXLHL-HOTGVXAUSA-N 321.421 -0.356 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CCN(C(=O)c2ccncn2)CC1 1074687277 HNVXNFKKWRDBNH-NSHDSACASA-N 317.349 -0.280 30 20 DBED C[C@@H]1C[C@H](NC(=O)C#CC2CC2)CCN1C(=O)CNC(N)=O 1074979472 LQKLVSDZPBYXME-ZYHUDNBSSA-N 306.366 -0.436 30 20 DBED C[C@@H](CCNC(=O)C#CC1CC1)NC(=O)[C@@H]1CC(=O)NC(=O)N1 1076431257 ARKIWHZUFGGVSS-ONGXEEELSA-N 320.349 -0.991 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)c2nc(C)c(C)[nH]c2=O)C1 1077209602 PJZOMVADYAKTHS-VXGBXAGGSA-N 306.366 -0.262 30 20 DBED C[C@@H](CCNC(=O)Cn1ncn(C)c1=O)NC(=O)C#CC1CC1 1077211105 FTLBAZKDZRMSDW-NSHDSACASA-N 319.365 -0.994 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCN(C(C)=O)C2)C1 1077333941 UHRNIYDXNGLWID-RRFJBIMHSA-N 307.394 -0.571 30 20 DBED C#CCCCC(=O)N[C@@H](C)CCNC(=O)[C@H]1CN(C)C(=O)N1 1077735421 YCQDKSKEFQOSIX-NWDGAFQWSA-N 308.382 -0.176 30 20 DBED CC#CCN1CCC2(CC1)CN(C(=O)C(N)=O)[C@@H]1COC[C@@H]12 1079259011 XLKQVXCOCZYLPZ-QWHCGFSZSA-N 305.378 -0.566 30 20 DBED C=CCN1C[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)[C@H](C)C1 1079804922 DXYCMWCQZFVRNF-VXGBXAGGSA-N 306.366 -0.831 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1NC(=O)C1(n2cnnn2)CCOCC1 1080593168 MAMZOZGGSZGTIJ-VXGBXAGGSA-N 319.369 -0.861 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)Cc2cc[nH]n2)C[C@H]1O 1081332914 MOYWOFNLKMWYPW-DGCLKSJQSA-N 306.366 -0.146 30 20 DBED C#CCCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2cn(C)nn2)C1 1081453225 RQZMQYODBJRGDH-DGCLKSJQSA-N 319.365 -0.832 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2ccncn2)C1 1081684498 HFGLSHNMUMPNDB-WCQYABFASA-N 320.349 -0.772 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@H](CNC(=O)C2(CF)CC2)C1 1081755561 QRJRKNWUJCLPFF-NEPJUHHUSA-N 314.357 -0.126 30 20 DBED C#CCCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2ccnnc2)C1 1081797879 RXLPZVLUSUBFNR-UONOGXRCSA-N 316.361 -0.171 30 20 DBED C=CCN1CC[C@H](N2C[C@H]3[C@@H](C2)OCCN3C(=O)COC)C1=O 1082969235 JXSROZIFMWEDJH-MELADBBJSA-N 323.393 -0.669 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)C[C@H]1CCNC1=O 1083103892 KHZTUIRTRPXAES-HZSPNIEDSA-N 305.378 -0.553 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CCc1cncnc1 1083143099 PZGBNGBXEBQQQB-LSDHHAIUSA-N 300.362 -0.046 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2ccc(Cn3cccn3)o2)C1 1083480786 AYONVPWLIOFLOV-KGLIPLIRSA-N 314.345 -0.068 30 20 DBED C=C(Cl)CN1CC[C@H]1CN(C)C(=O)[C@@H]1CCS(=O)(=O)N1 1085976900 IQXLZYGPKONOOG-QWRGUYRKSA-N 321.830 -0.037 30 20 DBED N#CCN1CC[C@H](NC(=O)c2cnn3c2OCCC3)[C@H](O)C1 1090395840 GSVYVXOEZUHONC-NWDGAFQWSA-N 305.338 -0.646 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2cn(C)ccc2=O)[C@H](O)C1 1090421122 UEHPVFKITBVTQR-UKRRQHHQSA-N 303.362 -0.426 30 20 DBED C#CCN1CC[C@H](NC(=O)Cc2ccccc2C(N)=O)[C@@H](O)C1 1090482009 INRJERYOWHPYBS-GJZGRUSLSA-N 315.373 -0.487 30 20 DBED CO[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1NC(=O)CC(C)(C)O 1090883224 LXAGDOKVHAIKMW-VXGBXAGGSA-N 319.365 -0.171 30 20 DBED CNC(=O)CC(=O)NC[C@H]1CC[C@@H](N=c2cc[nH]c(C#N)n2)C1 1091570597 OOCOUCNUHOBFRL-WDEREUQCSA-N 316.365 -0.397 30 20 DBED CSCC(=O)N[C@@H]1CCN(c2cnc(C#N)cn2)C[C@H]1O 1092149389 YBXGZURSIDIMNJ-GHMZBOCLSA-N 307.379 -0.233 30 20 DBED C#CCN1CC(n2cc(CNC(=O)c3cncnc3O)nn2)C1 1094299708 LKYMJMVWSQVWHT-UHFFFAOYSA-N 313.321 -0.806 30 20 DBED C=C(C)CN1CC(n2cc(CNC(=O)c3cnn(C)n3)nn2)C1 1094326839 QBGFQCHWHSESCF-UHFFFAOYSA-N 316.369 -0.231 30 20 DBED CC(=O)N1CC(C(=O)NCCCN=c2cc[nH]c(C#N)n2)C1 1094409991 KVFVTYILMKNJDX-UHFFFAOYSA-N 302.338 -0.833 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)c3ccsn3)CC2=O)C1 1094749154 LYJPNOLMGOOYSV-SNVBAGLBSA-N 304.375 -0.209 30 20 DBED N#CCN1CC(N2C[C@@H](NC(=O)[C@@]3(F)CCOC3)CC2=O)C1 1094778448 NGICCLKCRQEDOU-IINYFYTJSA-N 310.329 -0.960 30 20 DBED CN(CCCNC(=O)[C@@H]1COCCO1)c1ccnc(C#N)n1 1095490172 UFUHJRQUWAALQY-NSHDSACASA-N 305.338 -0.294 30 20 DBED N#Cc1nc(=N[C@@H](CNC(=O)[C@H]2COCCO2)C2CC2)cc[nH]1 1096600866 NVYIWMIGXOUCPG-NWDGAFQWSA-N 317.349 -0.508 30 20 DBED Cc1nc(CC(=O)NC[C@@H](C)Nc2cnc(C#N)cn2)n[nH]1 1097806568 PGOMVXSRTRBHJQ-MRVPVSSYSA-N 300.326 -0.066 30 20 DBED C[C@@H](CNC(=O)CCn1cnnn1)Nc1ncccc1C#N 1098010176 UCDVSIMPTOTOLZ-JTQLQIEISA-N 300.326 -0.053 30 20 DBED N#CCN(CCO)C1CCN(C(=O)c2c[nH]c(C(N)=O)c2)CC1 1098563921 DCARYGXVPGKBFR-UHFFFAOYSA-N 319.365 -0.464 30 20 DBED COC[C@@H](OC)C(=O)N1CC[C@H](CN=c2cc[nH]c(C#N)n2)C1 1098575691 AEQXYSRFOOAFHG-VXGBXAGGSA-N 319.365 -0.308 30 20 DBED N#CCNCc1cn([C@H]2CCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C2)nn1 1098702747 AAQSJJDWDQZCBO-IGQOVBAYSA-N 316.365 -0.443 30 20 DBED C[C@H](CCNC(=O)[C@H]1CN(C)C(=O)N1)N=c1cc[nH]c(C#N)n1 1099617135 QUDNOIZRJWRICU-NXEZZACHSA-N 317.353 -0.900 30 20 DBED Cn1nccc1CN1CC[C@@H](NC(=O)CSCC#N)[C@@H](O)C1 1099689370 FWXXSYANOCMRGF-OLZOCXBDSA-N 323.422 -0.272 30 20 DBED CC1(C)CC(C(=O)N[C@@H]2CCN(CC(=O)NCC#N)C[C@@H]2O)C1 1099802569 XSYUUKNLYFZADR-OLZOCXBDSA-N 322.409 -0.386 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCN(Cc2nccn2C)C[C@H]1O 1099833567 YDGHZKWYGFRMCJ-ZIAGYGMSSA-N 320.393 -0.489 30 20 DBED CCn1ccc(C(=O)N[C@H]2CCN(CC#CCOC)C[C@H]2O)n1 1100022853 SAFWCGKRKRSCNN-DZGCQCFKSA-N 320.393 -0.282 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)CCn2cnccc2=O)[C@@H](O)C1 1100050471 ITBFEGJCESOCHJ-KGLIPLIRSA-N 320.393 -0.239 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1CC(NCc2nc(=O)n(C)[nH]2)C1 1100285571 MTBLYLMNRARJRT-QKFMDRJYSA-N 323.397 -0.580 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@H]2CN(CCOCCO)C[C@@]2(C)C1 1101233512 MVEABOQIFGILBJ-UXLLHSPISA-N 324.421 -0.186 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CC2(CN(CCCO)C2)n2ccnc21 1101620136 CPLGZBQCDWLFKS-NEPJUHHUSA-N 303.366 -0.003 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1CNC(=O)[C@@H]1CCOC1 1101794904 FNLBHZIUVVXDCH-JHJVBQTASA-N 308.382 -0.653 30 20 DBED CCN1CCOC[C@H]1C(=O)N(C)CCN=c1cc[nH]c(C#N)n1 1101844895 WENQKBAIMZMISX-LBPRGKRZSA-N 318.381 -0.639 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1CNC(=O)CN1CCC(=O)NC1=O 1102498698 DYFMXPGZSHYSCE-GHMZBOCLSA-N 307.354 -0.864 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](C)[C@H](CCNC(=O)COC)C1 1102625745 AFFNAZPCVUJXSE-MGPQQGTHSA-N 309.410 -0.155 30 20 DBED CC(=O)NCC(=O)N(C)[C@H]1CCN(c2cncc(C#N)n2)C1 1102669733 FMQLBLCVUNJYES-LBPRGKRZSA-N 302.338 -0.479 30 20 DBED CN(C(=O)C(C)(C)C(N)=O)[C@H]1CCN(c2ccc(C#N)nn2)C1 1102740062 FGVUYXHUCJPKIK-NSHDSACASA-N 316.365 -0.103 30 20 DBED C[C@@H](CNC(=O)c1cnn(C)n1)CNc1nccnc1C#N 1104019389 XCNBYOLKYZPCON-SECBINFHSA-N 300.326 -0.045 30 20 DBED CC(=O)NCC(=O)N1CC[C@@H](N=c2cc[nH]c(C#N)n2)[C@H](C)C1 1105026829 XAPQENSDJDWSND-ZYHUDNBSSA-N 316.365 -0.445 30 20 DBED CNC(=O)NCC(=O)NC[C@H](Nc1nccnc1C#N)C(C)C 1105298472 IXLCLQGNAOQOSZ-NSHDSACASA-N 319.369 -0.170 30 20 DBED CN(CCN(C)c1ccc(C#N)cn1)C(=O)CS(C)(=O)=O 1105344552 KLBYPSGSOSQXEC-UHFFFAOYSA-N 310.379 -0.108 30 20 DBED Cn1cnc(C(=O)NC[C@H](O)CNc2cnc(C#N)cn2)c1 1105792155 KJFVLBHXMFDTAK-SNVBAGLBSA-N 301.310 -0.715 30 20 DBED CCO[C@@H](C(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1)C1CC1 1105974695 FZZRKVLKNJQLIR-BXUZGUMPSA-N 319.365 -0.526 30 20 DBED C[C@@H](CCNc1ccc(C#N)nc1)NC(=O)[C@@H]1CNC(=O)N1 1106544255 XVZRVDYZICUNLJ-CABZTGNLSA-N 302.338 -0.059 30 20 DBED C=CCNC(=O)CN1CC(n2cc(CNC(=O)CC)nn2)C1 1107110943 IHKCTQYZQHCIBK-UHFFFAOYSA-N 306.370 -0.537 30 20 DBED N#Cc1cncc(NC/C=C/CNC(=O)Cn2cnnc2O)n1 1107134096 QZVZBPCMZOKBBH-OWOJBTEDSA-N 314.309 -0.570 30 20 DBED Cc1ccnn1CC(=O)NCc1cn(C2CN(CC#N)C2)nn1 1107215220 CVEOANYONFCRMD-UHFFFAOYSA-N 314.353 -0.520 30 20 DBED COCCCOCC(=O)NC/C=C\CN=c1cc[nH]c(C#N)n1 1107328393 JWDSCGCLLLZEJR-IHWYPQMZSA-N 319.365 -0.092 30 20 DBED N#Cc1nccnc1NC/C=C\CNC(=O)c1c[nH]c(=O)cn1 1107490426 HFXFLMVSWQYKJJ-UPHRSURJSA-N 311.305 -0.170 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@]1(C)CN(CCOC)CCO1 1108002001 SOCBFIUBHKLSPF-DOTOQJQBSA-N 323.437 -0.063 30 20 DBED CC#CCN1CCO[C@@](C)(CNC(=O)[C@@H](C)S(C)(=O)=O)C1 1108026654 AZGICMWLTUJONM-OCCSQVGLSA-N 316.423 -0.350 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)[C@@H]2CCS(=O)(=O)C2)C1 1108057709 JQSYECOWGMQCHL-OCCSQVGLSA-N 314.407 -0.739 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)c2c(C)ncnc2O)C1 1108153553 QYEFISGCFJUVKD-HNNXBMFYSA-N 304.350 -0.055 30 20 DBED COCC#CCN1CCO[C@](C)(CNC(=O)[C@@H]2CCN(C)C2)C1 1108395410 RTSZPPJGBAFWBG-NVXWUHKLSA-N 323.437 -0.205 30 20 DBED C#CCN1CCN(C(=O)COC(C)C)[C@@H]2CS(=O)(=O)C[C@@H]21 1108460733 KGESCVZMEKIWFN-QWHCGFSZSA-N 314.407 -0.646 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)[C@@H](OC)C3CC3)CC2=O)C1 1108541294 SXQQWEUZRVEXLB-DOMZBBRYSA-N 305.378 -0.554 30 20 DBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H]1[C@H]2COC[C@H]21 1109624833 FHDRGGIBONORGK-XBGPERTJSA-N 319.405 -0.098 30 20 DBED CN1C[C@H](C(=O)NCC2(Nc3ccc(C#N)nn3)CC2)NC1=O 1110301897 ROLNYSBUSHMHGB-SNVBAGLBSA-N 315.337 -0.567 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H]1CN(C)C(=O)N1 1110890659 CGRZDSVMVSEFKV-SYQHCUMBSA-N 320.393 -0.619 30 20 DBED CC(=O)NCC(=O)N[C@H]1CCCN(c2cncc(C#N)n2)CC1 1111965045 QFYFJEIGGSLEQH-LBPRGKRZSA-N 316.365 -0.041 30 20 DBED N#CCSCC(=O)NC[C@H]1CN(c2ncccn2)C[C@H]1O 1112724943 GSZBVJLWTRYTHA-WDEREUQCSA-N 307.379 -0.353 30 20 DBED COCC#CCN1CCN(C(=O)[C@@H](OC)[C@H]2CCOC2)CC1 1113158942 RLDBPYPDXYKDCI-GJZGRUSLSA-N 310.394 -0.168 30 20 DBED C=CCO[C@H](C)C(=O)N1CCN([C@H](C)C(=O)NC(N)=O)CC1 1113714488 GACHKXMTZJGNJU-GHMZBOCLSA-N 312.370 -0.695 30 20 DBED C[C@H](C(=O)N(C)C)N1C[C@@H]2C(NC(=O)CSCC#N)[C@H]2C1 1113899822 VATZGILEQNBUGI-VWYCJHECSA-N 310.423 -0.234 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CN(c2nccnc2C#N)CC[C@@H]1C 1114010764 FFIOBFICJLRLDE-CMPLNLGQSA-N 316.365 -0.185 30 20 DBED C=CCOCC(=O)N[C@H]1[C@@H]2CN([C@H]3CCN(CC)C3=O)C[C@@H]21 1114048376 XLJNGWXZODIBPE-SFDCQRBFSA-N 307.394 -0.144 30 20 DBED C=CCOCC(=O)NC1[C@@H]2CN([C@H]3CCN(CC)C3=O)C[C@@H]12 1114048377 XLJNGWXZODIBPE-UPJWGTAASA-N 307.394 -0.144 30 20 DBED CCN(CC)CC(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1114992658 YOKWAYNOIKLTQH-JYAVWHMHSA-N 307.398 -0.986 30 20 DBED C#CCCN1C[C@@H]2C(NC(=O)CCC(=O)NCCCOC)[C@H]2C1 1115103532 LKKKYJZLRNVWLP-KBPBESRZSA-N 321.421 -0.011 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)CN3CCCC3)[C@H]2C1 1115242916 GGBOQJIHRGBLHS-NYTXWWLZSA-N 320.437 -0.181 30 20 DBED C#CCCN1C[C@H]2C(NC(=O)CCNC(=O)[C@@H]3CCCO3)[C@@H]2C1 1115349530 BLCYEAOFCLAQCS-MCIONIFRSA-N 319.405 -0.259 30 20 DBED CC(=O)N[C@H](C)C(=O)N(C)C[C@@H](C)N=c1cc[nH]c(C#N)n1 1115636214 MHKTUZMVDWDJNZ-NXEZZACHSA-N 304.354 -0.446 30 20 DBED C#CCOCCNC(=O)C(=O)N[C@H]1CCN(CC(F)(F)F)C1 1117391016 PPVPZWVIXBWTCQ-JTQLQIEISA-N 321.299 -0.495 30 20 DBED C[C@@H](CN(C)C(=O)[C@@H]1CCC(=O)N1C)N=c1cc[nH]c(C#N)n1 1120492695 AICIXGYTJYYCLS-QWRGUYRKSA-N 316.365 -0.350 30 20 DBED Cc1cc(=N[C@@H](CO)CNC(=O)c2cnns2)c(C#N)c[nH]1 1121092760 SDOAPQKJEVHMTG-SNVBAGLBSA-N 318.362 -0.262 30 20 DBED CCO[C@@H](C)C(=O)NC[C@@H](CO)N=c1cc(C)[nH]cc1C#N 1121220793 IMAMMFFNXGVQTB-AAEUAGOBSA-N 306.366 -0.002 30 20 DBED C#CCCNC1CC2(C1)CC(NC(=O)CN1CCOCC1=O)C2 1121238701 RJPUIJVGRVDKBB-UHFFFAOYSA-N 319.405 -0.115 30 20 DBED Cc1ccnc(C(=O)NC[C@@H](CO)Nc2nccnc2C#N)n1 1121505954 OWFAGCXYMHSYBK-JTQLQIEISA-N 313.321 -0.351 30 20 DBED CCN(C)CCC(=O)NC[C@@H](CO)Nc1ccc(C#N)nn1 1122029810 WZEDTAAKNCQDDI-LBPRGKRZSA-N 306.370 -0.421 30 20 DBED COC1CC(C(=O)NC[C@H](CO)N=c2cc[nH]c(C#N)n2)C1 1122177158 LUXLNUMZFGHKJW-HSOILSAZSA-N 305.338 -0.916 30 20 DBED COC[C@H](OC)C(=O)NC[C@H](CO)Nc1nc(C)ccc1C#N 1122466530 PGNCKZFNCAOBHP-OLZOCXBDSA-N 322.365 -0.188 30 20 DBED N#Cc1cnc(N[C@@H](CO)CNC(=O)C2(F)CCOCC2)cn1 1122748808 YYOCFRKZPDASJA-LLVKDONJSA-N 323.328 -0.244 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](O)CN(C)C(=O)c2cnon2)n1 1124466073 GSYIUGWCMPPSNQ-SNVBAGLBSA-N 317.309 -0.415 30 20 DBED CN(C[C@@H](O)CNc1cncc(C#N)n1)C(=O)c1cnon1 1124466551 TYLNWDNQQXFRAL-VIFPVBQESA-N 303.282 -0.724 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)C[C@@H](C)OC 1124606617 IHBVWOBZELBKRA-MNOVXSKESA-N 314.386 -0.483 30 20 DBED COCC(=O)N(C)C[C@@H](O)CN(C)c1nc(C)cc(C#N)n1 1124925159 LCWLZSGUWCTNJR-GFCCVEGCSA-N 307.354 -0.441 30 20 DBED O=C(C#CC1CC1)NCCNCC(=O)NC(=O)NC1CCCC1 1126875823 OPDXKDXHRLBINP-UHFFFAOYSA-N 320.393 -0.126 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1nccc2cccnc12 1129718373 ATSQXGGWPBJZFW-UHFFFAOYSA-N 312.333 -0.411 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1c[nH]c2nccc-2c1 1129987563 AMEJLYSWQQHCJQ-NSHDSACASA-N 313.361 -0.028 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)C[C@@H]2CCCC(=O)N2)C1=O 1131097604 RXILWTIVTGHDCU-STQMWFEESA-N 322.409 -0.462 30 20 DBED C[C@@H](C#N)C(=O)NCc1nc([C@H]2C[C@H](F)CN2CC(N)=O)n[nH]1 1131151547 IYSZIKOKKIQMMN-XHNCKOQMSA-N 323.332 -0.849 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2ccnn2C)CC[C@H]1C 1131861523 MHBFOZHZJQUYMJ-OLZOCXBDSA-N 317.393 -0.248 30 20 DBED COCC#CCNC[C@H]1CN(C(=O)Cn2ncnn2)CC[C@@H]1C 1132823653 JZOBJJLYYKINRV-KBPBESRZSA-N 320.397 -0.603 30 20 DBED C[C@H](NS(C)(=O)=O)C(=O)NCCNCc1cccc(C#N)c1 1134354049 ZMAGZHCQTKXBQD-NSHDSACASA-N 324.406 -0.298 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cnn2cc(C)cnc12 1134534718 LZKZOZGRSZSJTC-UHFFFAOYSA-N 314.349 -0.893 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(CCn2cncn2)CCCO1 1149383107 AAXACHLRZLJIMW-AWEZNQCLSA-N 323.397 -0.312 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)C[C@H]2CCC(=O)NC2)C1 1149842466 UXABCGIPYFCBDG-ZIAGYGMSSA-N 307.394 -0.257 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)[C@H](C)N1CCOCC1 1153849310 YVZTVEBRSMGSCX-STQMWFEESA-N 312.414 -0.896 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)c1n[nH]c(C)c1O 1156634036 IUGMSYHEHUVDSV-JTQLQIEISA-N 309.370 -0.176 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)c1cn(C)c(=O)cn1 1162878572 JWFWRIBELCGVAM-LLVKDONJSA-N 321.381 -0.820 30 20 DBED C#CCNCC1(CCNC(=O)CN(C)CC(=O)NC(C)C)CC1 1165976420 RREIJVCZCIIZSX-UHFFFAOYSA-N 322.453 -0.048 30 20 DBED C#CCNCCCC[C@@H](C)NC(=O)CNC(=O)CNC(C)=O 1171561824 AWVMUUIVMIELAW-GFCCVEGCSA-N 310.398 -0.864 30 20 DBED C#CCCN1CCO[C@@H]2CCN(C(=O)CNC(=O)C3CC3)C[C@H]21 1176936047 BPPNYTJTGBYOBP-HUUCEWRRSA-N 319.405 -0.162 30 20 DBED NC(=O)NC(=O)CNCCCCCCNC(=O)C#CC1CC1 1178438125 DAESHASEGHDLOH-UHFFFAOYSA-N 308.382 -0.139 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)c2ccnnc2)[C@H]1C 1179594974 RDTMQAOTBXKPOV-AAEUAGOBSA-N 303.366 -0.029 30 20 DBED C=CCCOCC(=O)N1CC[C@H](NCc2nc(=O)n(C)[nH]2)[C@@H]1C 1180253919 OMAIWDYZMAGXDA-RYUDHWBXSA-N 323.397 -0.220 30 20 DBED C=CCNC[C@@H]1CCN(C(=O)CS(=O)(=O)NC)C[C@@H]1C 1185711080 YIUUKNUZPHBOQR-RYUDHWBXSA-N 303.428 -0.204 30 20 DBED N#CCNCc1cn([C@@H]2CCCN(C(=O)c3nc[nH]n3)C2)nn1 1186010555 AKEJFHLCWYKODX-LLVKDONJSA-N 315.341 -0.513 30 20 DBED COC1CC(C(=O)N2CC[C@H]3CN(CC(=O)NCC#N)C[C@H]32)C1 1188277804 JKVUHTOZTNCRMA-GFJIZPEISA-N 320.393 -0.416 30 20 DBED CN(CC(=O)NCC#N)[C@@H]1CCN(C(=O)C[C@@H]2COC(=O)C2)C1 1189652302 PRLUBSKAKALROU-NWDGAFQWSA-N 322.365 -0.888 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H](CC)OCC)C1 1191449840 SOEUEGFGOYMUDE-JHJVBQTASA-N 313.398 -0.735 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN([C@@H](C)c2nc(C)no2)C[C@H]1O 1192879390 ZVHKYYAZSTZJFU-CYZMBNFOSA-N 322.365 -0.360 30 20 DBED CC#CCN(C)[C@@H]1CCN(C(=O)c2nccnc2C(N)=O)C1 1193914453 KTIFBIZMGWMOCK-LLVKDONJSA-N 301.350 -0.255 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC[C@H](N(C)Cc2nc(=O)n(C)[nH]2)C1 1194397467 VWOPMRWNWKSXOK-RYUDHWBXSA-N 323.397 -0.268 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)C1 1195171813 CALQMFDSKMONAR-YNEHKIRRSA-N 309.410 -0.278 30 20 DBED C#CCN1CCCN(C(=O)[C@@H](C)NS(=O)(=O)CC)CC1 1195914496 BOJHEWYDAKMDQU-GFCCVEGCSA-N 301.412 -0.518 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)C2(NC(N)=O)CCCCC2)C1 1196659970 PXFIFNVGTJIKFU-VXGBXAGGSA-N 308.382 -0.848 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)C2(S(C)(=O)=O)CCC2)C1 1197350390 SNWHMYWITNSMQY-VXGBXAGGSA-N 314.407 -0.862 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)CNC(=O)c2ccccc2)C1 1198061794 GDFATYYTSBXRMF-ZIAGYGMSSA-N 303.362 -0.236 30 20 DBED CCN(CCC#N)C(=O)CNC[C@@H]1CN(C(C)=O)CCCO1 1199598891 ARFDNEIGBBLQJD-CQSZACIVSA-N 310.398 -0.024 30 20 DBED C#CCNC[C@@H]1CN(C(=O)c2ccc3nnnn3c2)CCCO1 1200955758 SOFSOORYROLHHO-CYBMUJFWSA-N 314.349 -0.422 30 20 DBED C#CCCNC[C@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)CCCO1 1201403107 HTENFKDXXGAHLR-MELADBBJSA-N 323.393 -0.750 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)C[C@@H]2COC(=O)C2)C1 1207795661 KYHSCKGIXYXLMC-STQMWFEESA-N 321.377 -0.730 30 20 DBED C=CCN1C[C@@H](NC(=O)CN(C)S(=O)(=O)CC)[C@H](C)C1 1209921388 XQLPNXRDEHYLPP-VXGBXAGGSA-N 303.428 -0.110 30 20 DBED COCC#CCN[C@@H]1CCCN(C(=O)C2CC(=O)NC(=O)C2)C1 1210107266 OKEVVMDPVVNJGO-CYBMUJFWSA-N 321.377 -0.730 30 20 DBED C#CCCN[C@@H]1CCCN(C(=O)Cn2nc(C)n(C)c2=O)C1 1210892426 KNPHIIUDPAMHMG-CYBMUJFWSA-N 305.382 -0.506 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(Cc2nonc2C)C[C@H]1OC 1212030019 QAWCHTDSAKWXLP-CHWSQXEVSA-N 310.354 -0.104 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(Cc2n[nH]c(C)n2)C[C@H]1OC 1212194195 POTOTOYIXKOMNK-LALPHHSUSA-N 323.397 -0.244 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(Cc2cn(C)nn2)C[C@H]1OC 1212194863 YWZNRNDACOHHMN-UMVBOHGHSA-N 323.397 -0.542 30 20 DBED CO[C@@H]1CN([C@H]2CCCN(C)C2=O)C[C@H]1NC(=O)C#CC1CC1 1212246461 ULQGCGZVJVUONN-QLFBSQMISA-N 319.405 -0.164 30 20 DBED CC#CCN1C[C@@H](NC(=O)CCc2cnn(C)n2)[C@H](OC)C1 1213453715 GLZOKCGZGKUISU-ZIAGYGMSSA-N 305.382 -0.414 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)c2cn(CC)nn2)C[C@H]1C 1216117298 FUHXCKLQJHINAV-VXGBXAGGSA-N 320.397 -0.350 30 20 DBED C=CCCN[C@@H]1CN(C(=O)CC[C@H]2NC(=O)NC2=O)C[C@H]1C 1216715586 IUDRMEBGQVCYSL-IJLUTSLNSA-N 308.382 -0.013 30 20 DBED C=CCCCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCCN(C(N)=O)C2)C1 1219967185 KNTAGOJSWNETCL-MJBXVCDLSA-N 324.425 -0.095 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)CCc2cc(C)on2)C1 1220338190 OSTYWDWQMDLUAD-CABCVRRESA-N 321.377 -0.273 30 20 DBED N#CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3cocn3)[C@@H]2C1 1221436230 QTNLOVVEZDUWDI-ZYHUDNBSSA-N 303.322 -0.539 30 20 DBED C[C@@H]1OCC[C@@H]1C(=O)NCC1CCN(CC(=O)NCC#N)CC1 1224946167 CGXQSTSBXZOCPZ-JSGCOSHPSA-N 322.409 -0.121 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCC(NC(=O)C2(C(N)=O)CC2)CC1 1228963255 WRIVPQWXPDASCT-LLVKDONJSA-N 322.409 -0.477 30 20 DBED CN(C[C@H]1CCN1CCN1CCNC1=O)C(=O)C#CC1CC1 1234179546 WPVVOBCQWFFWIE-CQSZACIVSA-N 304.394 -0.042 30 20 DBED C#CCCn1nnnc1N1CCC(N2CCCS2(=O)=O)CC1 1262437765 GCLRRNZKACBTDM-UHFFFAOYSA-N 324.410 -0.299 30 20 DBED C#CCC[C@H](O)CNC(=O)C1CCC2(CC1)NC(=O)NC2=O 1322589322 RNHCMCCRIRIGDZ-VTWZXRTESA-N 307.350 -0.355 30 20 DBED C#CCOCCNC(=O)C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 1323261886 WXWHDWGZBOVVKZ-YNEHKIRRSA-N 306.362 -0.174 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)N2CCCC[C@@H]2CCO)C1 1327023281 WVOIIEBUZBYSHA-DOMZBBRYSA-N 309.366 -0.373 30 20 DBED N#C[C@@]1(F)CCN(C(=O)C(=O)N2CCN([C@@H]3CCOC3)CC2)C1 1327353739 PZQAVJGDXRZYAJ-DOMZBBRYSA-N 324.356 -0.616 30 20 DBED N#CCCCCS(=O)(=O)NCCCn1cc(CO)nn1 1327481666 CWXJSIAMKLTFFG-UHFFFAOYSA-N 301.372 -0.226 30 20 DBED C#CCCNC(=O)C1(C(=O)NCCC#C)C[C@H]1S(C)(=O)=O 1329733434 RMHDWQUOQLWIDQ-LLVKDONJSA-N 310.375 -0.931 30 20 DBED C=C(C)CN(C)C(=O)C(=O)Nc1ncn(CC(=O)OCC)n1 1331004096 AMNBDRTUVIPDMY-UHFFFAOYSA-N 309.326 -0.186 30 20 DBED C#CCSCCNC(=O)C(=O)N1CCO[C@@H](COCC)C1 1332644226 BLBMETXNKPBVQX-GFCCVEGCSA-N 314.407 -0.267 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CC(N2CCCC2=O)C1)[C@@H]1CCCO1 1333513972 RTHYUWNMYTZHER-STQMWFEESA-N 319.361 -0.883 30 20 DBED C=CCNC(=O)Cn1nnnc1N1C[C@H](C)O[C@H](C2CC2)C1 1334104215 VBBJFOPXQOQVMN-JQWIXIFHSA-N 306.370 -0.021 30 20 DBED C#CCNC(=O)C1CCN(C(=O)[C@H]2CN3CCN2C[C@H]3C)CC1 1346830385 BUFXONSCTRIHCU-UKRRQHHQSA-N 318.421 -0.637 30 20 DBED C=C(CC)C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 1348748554 DMPXVKMBCOZQDN-VXGBXAGGSA-N 302.396 -0.433 30 20 DBED N#Cc1ccc(NC(=O)N2CCN(S(N)(=O)=O)CC2)nc1 1364156047 PWEVEWHCMOAMPM-UHFFFAOYSA-N 310.339 -0.694 30 20 DBED CO[C@@H](CNC(=O)NCCn1cc(C#N)c(O)nc1=O)C(C)C 1364549241 CZCIQHYLFDLZLL-NSHDSACASA-N 323.353 -0.209 30 20 DBED CC(C)c1nnnn1CC(=O)N(C)CCNC(=O)[C@H](C)C#N 1373650219 SJJPVDFMRDLBEM-SNVBAGLBSA-N 307.358 -0.469 30 20 DBED C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)CNC(=O)c1cnnn1C 1375663682 NHQBLNHEBZREPU-VIFPVBQESA-N 315.337 -0.189 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1cnc2cccnn12 1376629383 PAEPDURGTBRQOP-VHSXEESVSA-N 316.321 -0.904 30 20 DBED C[C@H](C#N)C(=O)N1CCC(NC(=O)C2(NC(N)=O)CC2)CC1 1385451614 MJBJUFVWHNBQMH-SECBINFHSA-N 307.354 -0.546 30 20 DBED C=C(Cl)CNC[C@@H](O)CN(C)C(=O)CCn1ccnn1 1394736660 RHOAKVGTNIIENP-LLVKDONJSA-N 301.778 -0.170 30 20 DBED COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N1CCC[C@@H](C#N)C1 1413894743 IVOLJGKQOAZNQL-DCAQKATOSA-N 310.354 -0.002 30 20 DBED CCN(CCC#N)C(=O)CN1CC(NC(=O)c2cncn2C)C1 1418979954 PLOQVHJHQDQYQE-UHFFFAOYSA-N 318.381 -0.404 30 20 DBED COC[C@H](C)C(=O)NC[C@@H](O)CNC(=O)c1ccc(C#N)[nH]1 1431489220 BEBVMVFJMGEYAU-GXSJLCMTSA-N 308.338 -0.624 30 20 DBED C[C@H](C#N)C(=O)N(CCNC(=O)c1c[nH]c(=O)cn1)C1CC1 1431914844 SKGMCZXMKCLWTD-SECBINFHSA-N 303.322 -0.350 30 20 DBED CN(CCNS(C)(=O)=O)S(=O)(=O)CC(C)(C)CC#N 1434553962 RUQKRGAXGFMWNL-UHFFFAOYSA-N 311.429 -0.263 30 20 DBED N#Cc1ccc2c(n1)CCCN2C(=O)Cn1cnc(C(N)=O)n1 1437270441 VVMCYRISTZHMDT-UHFFFAOYSA-N 311.305 -0.377 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(=O)n(C)n2)C1 1448351720 KODVNWLDADQIRF-MNOVXSKESA-N 317.349 -0.482 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CCCN1C(=O)c1c[nH]c(C(N)=O)c1 1449639708 VMZLNURHPLOEKK-GXSJLCMTSA-N 317.349 -0.006 30 20 DBED Cn1cncc1C(=O)NC[C@@H](O)CNC(=O)c1cc(C#N)c[nH]1 1452333530 PKVFVNVCLRXQLS-JTQLQIEISA-N 316.321 -0.859 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CCS(=O)(=O)C2)C1 1454338317 ZWAJBTUDIPXOKF-NAKRPEOUSA-N 313.379 -0.656 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CCN(C(=O)c2cc(=O)n(C)cn2)C1 1454862748 OFNSOPUETRXCJQ-WDEREUQCSA-N 317.349 -0.482 30 20 DBED CCC[C@H](C)S(=O)(=O)NCCn1cc(C#N)c(O)nc1=O 1475510394 TWLZBXKMQHUEAW-VIFPVBQESA-N 314.367 -0.071 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)NC1CC(CO)(CO)C1 1475551658 QDXBEVYNVZEKSK-JTQLQIEISA-N 305.400 -0.564 30 20 DBED C=C(Cl)CN[C@H](C)CNC(=O)CN1CCS(=O)(=O)CC1 1480590607 PVSFACVJYVZFDZ-LLVKDONJSA-N 323.846 -0.436 30 20 DBED C[C@@H](CN(C)C(=O)c1cc(C#N)c[nH]1)NC(=O)c1cnn(C)n1 1510510894 XSVLDISEKIOFLS-VIFPVBQESA-N 315.337 -0.095 30 20 DBED C[C@H](C#N)C(=O)NCC1CN(C(=O)c2ccc(=O)n(C)n2)C1 1530880384 NCZSQKVKCGMIAV-SECBINFHSA-N 303.322 -0.872 30 20 DBED CCOc1cnc(C(=O)NC[C@H](O)CNC(=O)[C@H](C)C#N)cn1 1533291526 RCHNFAUOWLGNBF-NXEZZACHSA-N 321.337 -0.758 30 20 DBED CC#CC[C@@H](N)C(=O)N[C@@H]1CC(=O)N(CCN(C)CCOC)C1 1574973141 SSUKXBJKTLIFLS-ZIAGYGMSSA-N 324.425 -0.978 30 20 DBED CC#CCNC[C@@H](O)CN(C)C(=O)CCOCc1cnn[nH]1 1575123091 NHASDRPCTXBOBM-CYBMUJFWSA-N 309.370 -0.856 30 20 DBED CO[C@H](CNc1cnc(C#N)c(-c2nn[nH]n2)n1)[C@H]1CCOC1 1579593624 CCRMVQRFIAYYBX-WCBMZHEXSA-N 316.325 -0.008 30 20 DBED N#Cc1ccc(C(=O)N2CCN[C@H]3CS(=O)(=O)C[C@H]32)cc1 1580064039 FJFXHSQZCPDPLN-QWHCGFSZSA-N 305.359 -0.231 30 20 DBED C=C(C)CN1CC(O)(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1588430063 LEQPQYMFRONUAX-UHFFFAOYSA-N 317.353 -0.453 30 20 DBED C#CCN1CCC[C@@H](NC(=O)[C@@H]2CCCN(CC(=O)O)C2=O)C1 1588431494 ZIBYUQOGSYWEPS-OLZOCXBDSA-N 321.377 -0.477 30 20 DBED C#CCOCCNC(=O)C(=O)N1C[C@@H]2CCC[C@]2(C(=O)O)C1 1588491402 MDFUMVOTWIOUOK-NHYWBVRUSA-N 308.334 -0.534 30 20 DBED C#CCn1cc(CNS(=O)(=O)c2n[nH]cc2C(=O)O)cn1 1588510104 ZLLIIMHDMITJFT-UHFFFAOYSA-N 309.307 -0.584 30 20 DBED C=CCOCC(=O)N[C@H](C)CN=c1cc[nH]c(-c2nn[nH]n2)n1 1588675392 DHMVNWUKRCBSHS-SECBINFHSA-N 318.341 -0.802 30 20 DBED C#C[C@@H](CO)NC(=O)c1ccn(-c2cccc(-c3nn[nH]n3)c2)n1 1602689546 SJCFAGTZEFZZNA-NSHDSACASA-N 323.316 -0.224 30 20 DBED C#CC1(O)CN([C@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 1602691018 PERNQHMTHGSTAJ-ZDUSSCGKSA-N 324.344 -0.348 30 20 DBED C#CCN(CC(=O)O)c1nnc(-c2ncc[nH]2)n1CCOC 1602699413 RECAKUIILBSVCD-UHFFFAOYSA-N 304.310 -0.161 30 20 DBED C=CCn1cc(C(=O)N2C[C@H](C(=O)O)[C@@H](C(=O)OC)C2)nn1 1602938245 ZIEDCBGDIDBWBG-IUCAKERBSA-N 308.294 -0.590 30 20 DBED C[C@H](C(=O)N[C@@H](C[C@H]1CCCO1)C(=O)O)n1cnc(C#N)n1 1603156324 SXJAMZDBGVUXJW-BBBLOLIVSA-N 307.310 -0.151 30 20 DBED C[C@@H]1C[C@@H](CO)CN(c2cnc(-c3nn[nH]n3)c(C#N)n2)C1 1603850960 OIGRDRHCBDETKU-RKDXNWHRSA-N 300.326 -0.017 30 20 DBED Cn1c(N2CCSC[C@@H](C(=O)O)C2)c(C#N)c(=O)n(C)c1=O 1610598445 RVLMRDVGIZVGOS-QMMMGPOBSA-N 324.362 -0.790 30 20 DBED CS(=O)(=O)Nc1ccccc1CC(=O)N[C@H]1CNC[C@H]1C#N 1649851198 LASIPVPVIKDCKK-YPMHNXCESA-N 322.390 -0.172 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@H]1CCCN(Cc2nnnn2C)C1 1732091470 BGGYNIFSWQPELK-FZMZJTMJSA-N 308.386 -0.382 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@H](NC(=O)c2cc(Cl)n(C)n2)C1 1752641764 NJABEPPDZWIOOE-MGCOHNPYSA-N 323.784 -0.327 30 20 DBED C=CCNC(=O)NC(=O)CN[C@@H](C)CNC(=O)c1nonc1C 1752925121 VCNDTJPRAAPMFU-QMMMGPOBSA-N 324.341 -0.902 30 20 DBED C=CCOCC(=O)N1C[C@@H]2CC[C@H](C1)N2CC(=O)NC(=O)NC 1753304287 ZAHSUHMUWUULKK-TXEJJXNPSA-N 324.381 -0.680 30 20 DBED C[C@@H]1CN(C(=O)CCCS(N)(=O)=O)CC[C@H]1NCC#N 1753763892 XIWIPMIOLRRAGP-GHMZBOCLSA-N 302.400 -0.595 30 20 DBED C=CCN1CC[C@H](NC[C@@H](O)CNC(=O)c2cc(C)no2)C1=O 1753905393 UTSDNVONEMAWIN-NEPJUHHUSA-N 322.365 -0.550 30 20 DBED C=CCN1CC[C@H](NC/C=C\CNC(=O)Cc2nc[nH]n2)C1=O 1754194871 ZGXMYNHLKWXNOT-MVZIDQBPSA-N 318.381 -0.604 30 20 DBED CCOCC1(C(=O)N[C@H]2[C@H]3C[C@H]2N(CC(=O)NCC#N)C3)CC1 1754425256 NPOIWVYMASEXEA-SCRDCRAPSA-N 320.393 -0.368 30 20 DBED C#CCNCCN(CCO)C(=O)CNC(=O)c1ccc(F)cc1 1754897376 PBSZWFGCYUXUBN-UHFFFAOYSA-N 321.352 -0.401 30 20 DBED Cc1nccn1CC(=O)N1C[C@H](C)[C@@H](NCC(=O)NCC#N)C1 1755122938 VSNLPWMSZIWZQU-AAEUAGOBSA-N 318.381 -0.732 30 20 DBED CC#CCNCC1(O)CCN(C(=O)[C@H]2CCCC(=O)N2)CC1 1755150886 KIBCYUNXOUNNKG-CYBMUJFWSA-N 307.394 -0.379 30 20 DBED CC[C@@H](NC(C)=O)C(=O)NC1CC(CNCC(=O)NCC#N)C1 1755218179 HYRMVGAUAHCANQ-WXRRBKDZSA-N 323.397 -0.975 30 20 DBED C[C@@H](CCCNCC(=O)NCC#N)NC(=O)c1cn(C)cn1 1755493212 CMKWISAJVDEYBF-NSHDSACASA-N 306.370 -0.452 30 20 DBED CN(CCOCCNC(=O)c1ccc(C#N)[nH]1)[C@H]1CCNC1=O 1755540732 KZTUWVZABWCWDZ-ZDUSSCGKSA-N 319.365 -0.547 30 20 DBED CN(CC#N)CCOCCNC(=O)C1(S(C)(=O)=O)CCC1 1755544733 BVGOTFLTBQBTCP-UHFFFAOYSA-N 317.411 -0.458 30 20 DBED C=CCN[C@H](C)CN(C)C(=O)Cn1ncn2nccc2c1=O 1755606175 IGFIWVZHLJAQQW-LLVKDONJSA-N 304.354 -0.487 30 20 DBED C#CCOCCC(=O)N1C[C@H](NCC(=O)NC2CC2)C[C@@H]1C 1755678779 OOUWUMAWVKRTCT-GXTWGEPZSA-N 307.394 -0.116 30 20 DBED C[C@H](CNC(=O)CSCC#N)N(C)C(=O)c1ncn(C)n1 1756005354 GYVMFIOVASJIFM-SECBINFHSA-N 310.383 -0.351 30 20 DBED C=CCCC(=O)NC1(CCO)CN(C(=O)[C@H]2CC[C@@H]2C(N)=O)C1 1756078446 RDINRRLGVOFKMA-RYUDHWBXSA-N 323.393 -0.456 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@@H](NC(=O)Cn2cccn2)[C@H](C)C1 1757054318 YGWKWPUUZSNGAI-HZSPNIEDSA-N 318.377 -0.116 30 20 DBED N#CC1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN)C[C@@H]32)CC1 1786694516 KQLYGRRRSISDOC-SRVKXCTJSA-N 306.366 -0.771 30 20 DBED N#Cc1cccc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)O)c1 19995277 LWSIKLBBTBAXAJ-JTQLQIEISA-N 311.319 -0.445 30 20 DBED N#CCN1CCN(S(=O)(=O)c2cnn(CC(F)F)c2)CC1 186840954 KSJMTHNVHQHGGY-UHFFFAOYSA-N 319.337 -0.022 30 20 DBED C=CCN(CCOC)C(=O)c1cnc2[nH]c(=O)[nH]c(=O)c2c1 191977230 QFXGLJCRUTUZLW-UHFFFAOYSA-N 304.306 -0.114 30 20 DBED C#CCNC(=O)[C@H](NS(=O)(=O)c1ccc(C)cc1)[C@@H](C)O 193822834 GQEKBEBQUWNQKZ-DGCLKSJQSA-N 310.375 -0.228 30 20 DBED C/N=C(\NCC1CCN(C)CC1)NC[C@H](O)c1cnn(C)c1 262406775 OVULCQXQTKXHLV-AWEZNQCLSA-N 308.430 -0.040 30 20 DBED C=CCCO[C@@H](C)C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)OC 273943633 DHRXDRUMYOIVHC-QWRGUYRKSA-N 319.379 -0.234 30 20 DBED N#Cc1cc(F)c(S(=O)(=O)N2C[C@H](O)[C@H](O)C2)c(F)c1 277609712 XWRWYUSKOXUKNJ-AOOOYVTPSA-N 304.274 -0.437 30 20 DBED C=CCN1CC[C@H](N2CCN(CC(=O)NC(C)C)CC2)C1=O 282033347 QFKYTFCPHACJML-AWEZNQCLSA-N 308.426 -0.085 30 20 DBED CNC(=O)[C@H]1CCCN1CCS(=O)(=O)c1ccc(C#N)cn1 290539935 ZTGQMEQOMZEXDX-GFCCVEGCSA-N 322.390 -0.063 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@H](N)CC(F)F)CC1 313833823 OMJVVNLMRGHQLY-SNVBAGLBSA-N 304.341 -0.585 30 20 DBED Cc1cc(C#N)ccc1S(=O)(=O)N1CCC(O)(C(N)=O)CC1 320314129 KELBFQYRXIFOFV-UHFFFAOYSA-N 323.374 -0.132 30 20 DBED Cc1nc([C@H]2CN(/C(O)=N/CCC(=O)N(C)C)CCO2)n[nH]1 331187151 PHYPWHYNZQHEQR-SNVBAGLBSA-N 310.358 -0.121 30 20 DBED CCc1nn(C)cc1CNS(=O)(=O)N1CCO[C@@H](C#N)C1 336933487 DFCKXWWMNAUGPJ-NSHDSACASA-N 313.383 -0.459 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N1CC[C@@H](S(C)(=O)=O)C1 337037513 IJHIUEYHQIHNTC-NXEZZACHSA-N 309.413 -0.558 30 20 DBED COC(=O)[C@@H]1COCCN1S(=O)(=O)N(C)C[C@@H](C)C#N 337081891 YWPXTZFZFZBYJS-UWVGGRQHSA-N 305.356 -0.804 30 20 DBED CCN(CC#N)CC(=O)N(CCOC)[C@H]1CCS(=O)(=O)C1 344716218 VHGCTXYJFHTARN-LBPRGKRZSA-N 317.411 -0.506 30 20 DBED COC(=O)[C@@H]1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)[C@H]1C 344979736 GYEPCDVIFSTPOY-DTWKUNHWSA-N 306.322 -0.657 30 20 DBED CN(CCC#N)S(=O)(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O 345355146 PWBHXMAIGSYUTB-GARJFASQSA-N 300.384 -0.338 30 20 DBED C=C(C)CN1CCC(NC(=O)C(=O)Nc2ccn(C)n2)CC1 347795642 MDDYDWAJAVJDDR-UHFFFAOYSA-N 305.382 0.515 30 20 DBED COCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)CCCC#N 348115912 VEEPOVRXAAHRLU-NSHDSACASA-N 324.424 -0.245 30 20 DBED CO[C@H](C)c1nc(=NC(=O)NCCn2cnc(C#N)n2)s[nH]1 350638903 NLUUOUCDKBTXJO-SSDOTTSWSA-N 322.354 -0.048 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1CCN([C@@H]2CCNC2)CC1 352508355 GOVIKVDADHGBRO-QWHCGFSZSA-N 309.414 -0.634 30 20 DBED N#Cc1ccnc(N2CCN(C(=O)[C@@H]3C[C@H](O)CN3)CC2)c1 357901339 CSZHTOFOSWLTBX-STQMWFEESA-N 301.350 -0.675 30 20 DBED CCS(=O)(=O)NCCNC(=O)c1cccc(C#CCO)c1 390059577 AONFYJLLDFLNJF-UHFFFAOYSA-N 310.375 -0.301 30 20 DBED C=CCNC(=O)CNS(=O)(=O)c1cc(C(=O)O)n(C)c1 393818115 MNZLKKVMXYCFAI-UHFFFAOYSA-N 301.324 -0.696 30 20 DBED CC(CO)(CO)CNCCS(=O)(=O)c1ccc(C#N)cc1 393864641 FKKTWKUKAQRHFO-UHFFFAOYSA-N 312.391 -0.088 30 20 DBED C=CC[C@@H](CO)CNC(=O)NCC1CN(S(C)(=O)=O)C1 430138306 YFUOIUZULFXMKB-SNVBAGLBSA-N 305.400 -0.638 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCn2ncnc2C1 430397233 AEALAXIPRKRKKA-YPMHNXCESA-N 319.365 -0.282 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)Cc2c(C)noc2C)CC1 491683380 YHQZWQWNRRGFKI-UHFFFAOYSA-N 318.377 -0.272 30 20 DBED C#C[C@@H](CC)NC(=O)CCNS(=O)(=O)c1cn(C)c(C)n1 491708464 PWPYZMFYBJKKAU-NSHDSACASA-N 312.395 -0.075 30 20 DBED CC(C)(C)OC(=O)N1CC(O)(C(=O)N2CCO[C@@H](C#N)C2)C1 496070899 WNEPLAAXOUFZMS-JTQLQIEISA-N 311.338 -0.281 30 20 DBED CNS(=O)(=O)c1cccc(S(=O)(=O)NC2(C#N)CC2)c1 534402438 HHTZJHKXYABOOP-UHFFFAOYSA-N 315.376 -0.071 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N(CCOC)CC(=O)O 569793551 RINXNRUMWOKOEE-SNVBAGLBSA-N 307.372 -0.254 30 20 DBED Cc1c([C@H]2[C@@H](C(=O)NCC#CCO)CC(=O)N2C)cnn1C 580328459 VBWDVRFVDSYFAQ-SMDDNHRTSA-N 304.350 -0.640 30 20 DBED COc1cc(NC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)ccn1 592300181 YNOIQIMXHFAYNM-AWEZNQCLSA-N 304.306 -0.094 30 20 DBED CCOC(=O)[C@H](N)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 595920799 WRADLJAYQJWMSX-CYBMUJFWSA-N 317.349 -0.508 30 20 DBED CC(C)(CNC(=O)Cn1cnc(C#N)n1)[C@@]1(O)CCCOC1 598390124 VCFZVBIDXJMXPP-CQSZACIVSA-N 307.354 -0.166 30 20 DBED C[C@@](C#N)(NC(=O)Cn1cc(CN2CCOCC2)nn1)C1CC1 603184438 VGEBHIDODLTAKD-HNNXBMFYSA-N 318.381 -0.081 30 20 DBED C=CCCCNC(=O)C(=O)NCCCN1CCCS1(=O)=O 636834255 PUMOHYMZZNPQMX-UHFFFAOYSA-N 317.411 -0.389 30 20 DBED C=CCNC(=O)CNC(=O)NC1CCN([C@@H]2CCOC2)CC1 660996823 OCZZGSDWNUMMNE-CYBMUJFWSA-N 310.398 -0.159 30 20 DBED C#CCOCCN(C)C(=O)C1CCN(S(C)(=O)=O)CC1 688078521 HBHRWIFMHMBWET-UHFFFAOYSA-N 302.396 -0.234 30 20 DBED CNC(=O)CNC(=S)NN=Cc1cnc2c(c1)c(C)nn2C 731928871 JYGCBDFVJHDEIV-UHFFFAOYSA-N 319.394 -0.179 30 20 DBED COC(=O)[C@@](C)(O)CNC(=O)C#Cc1ccc2c(c1)OCO2 763235354 VLUZXQCKRJIHJW-HNNXBMFYSA-N 305.286 -0.193 30 20 DBED C=CCNC(=O)CNC(=O)[C@@H](O)[C@@H](O)c1nc2ccccc2[nH]1 779835376 VISOVUXYEPCIPI-OLZOCXBDSA-N 318.333 -0.624 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1cn(C)c(=O)n(C)c1=O 798039139 RHLAIZXWFXPXGX-PWSUYJOCSA-N 307.350 -0.205 30 20 DBED C#CCC[C@H](O)CNC(=O)c1cc(S(N)(=O)=O)c(C)o1 799083237 YFBFSSJMYYETPO-VIFPVBQESA-N 300.336 -0.260 30 20 DBED C#CCC[C@@H](O)CNC(=O)Nc1cc(C)n(CC(=O)NC)n1 799223971 NMMNXXZQPSYHMD-LLVKDONJSA-N 307.354 -0.167 30 20 DBED COC(CN(CCCO)S(=O)(=O)N(C)[C@@H](C)CC#N)OC 800933791 QAZFMBMIWXBKBD-NSHDSACASA-N 323.415 -0.232 30 20 DBED C[C@H]1CN(CCNC(=O)NCCn2cnc(C#N)n2)CCO1 806666566 NZNHUPPASSDRPL-NSHDSACASA-N 307.358 -0.830 30 20 DBED C#CCCCNC(=O)C(=O)N1CCN(C[C@@H]2CCOC2)CC1 806908638 MCMSDUILUCAYGK-AWEZNQCLSA-N 307.394 -0.303 30 20 DBED N#Cc1cc(S(N)(=O)=O)ccc1N1CC[C@H](CO)[C@@H](O)C1 811838498 LFUUOOVCYCCFKH-RNCFNFMXSA-N 311.363 -0.615 30 20 DBED C#CC[C@@H](CO)NC(=O)c1ccc([C@]2(C)NC(=O)NC2=O)cc1 816674894 NCVPUBKDSFBOMR-LRDDRELGSA-N 315.329 -0.145 30 20 DBED O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCO[C@@H](C(=O)O)C1 819691549 PCAXYMLFBOMDNH-JBEXSADBSA-N 323.305 -0.785 30 20 DBED C=CCCn1cc(C(=O)NS(=O)(=O)CCC(=O)OC)nn1 821072740 GNTOFGLYQSPESN-UHFFFAOYSA-N 316.339 -0.523 30 20 DBED C=CCN(c1c(-c2nn[nH]n2)c(=O)n(C)c(=O)n1C)C1CC1 823919600 LHZIZDTYLIYXMX-UHFFFAOYSA-N 303.326 -0.581 30 20 DBED C#CC[C@H](NC(=O)c1ccc(S(=O)(=O)NC)cc1)C(=O)OC 837930734 SQYBLHWGXVTBAD-LBPRGKRZSA-N 324.358 -0.111 30 20 DBED C#CCOc1ccc(NC(=O)C(=O)NCCNCCOC)cc1 841204292 ZMRXCPNEDOXQCS-UHFFFAOYSA-N 319.361 -0.011 30 20 DBED C#CCC[C@H](O)CNC(=O)[C@@H](C)n1cnc2c(N)ncnc21 847170240 CJICGMVMWPUQTH-ZJUUUORDSA-N 302.338 -0.140 30 20 DBED C[C@@H](CNC(=O)C(=O)NCCNc1ccc(C#N)cn1)C(=O)O 848608209 BWBFYJHZXAOQJV-VIFPVBQESA-N 319.321 -0.682 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N[C@H]1CCC[C@H]1C(=O)NC 875326657 OORPYXJXXXKXOM-UPJWGTAASA-N 323.393 -0.438 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N1C[C@H]2CC[C@H]1[C@H](O)C2 898141375 ZYXZGQAOCGLIFG-XDQVBPFNSA-N 308.378 -0.097 30 20 DBED C#CC[C@H](CO)NC(=O)N[C@@H](CCSC)C(=O)N(C)OC 921517054 XUFJXLKRLVNEBG-MNOVXSKESA-N 317.411 -0.189 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H]2CCN(C(=O)[C@@H]3CCC(=O)N3)C2)c1 937796394 USEFPPVPVOMIEG-QWRGUYRKSA-N 315.333 -0.504 30 20 DBED N#Cc1cc(C(=O)N[C@H]2CCN(C(=O)[C@@H]3CCC(=O)N3)C2)c[nH]1 937849999 OZGJDABRWNWYKI-JQWIXIFHSA-N 315.333 -0.504 30 20 DBED C[C@H](C#N)C(=O)N1CCCN(C(=O)CCn2cncn2)CC1 940279625 QFOYOHKDMORNBP-GFCCVEGCSA-N 304.354 -0.111 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)c3cnn(C)n3)C2)nc1 941874585 FFECAWIYGCSXLE-GFCCVEGCSA-N 324.344 -0.164 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)c2ccnn2C)C1 944512688 IZOORPOVEYCAHP-MNOVXSKESA-N 305.338 -0.463 30 20 DBED O=C1NCCC[C@H]1NCC1(O)CCN(C(=O)C#CC2CC2)CC1 946922521 QEGMWSFGINCYKK-CQSZACIVSA-N 319.405 -0.379 30 20 DBED C[C@@H](C(=O)N(C)C1CN(C(=O)C#CC2CC2)C1)[C@@H]1CCC(=O)N1 955409548 FCDFXLNPLFNTDA-RISCZKNCSA-N 317.389 -0.016 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2ccc3c(c2)NC(=O)C3)C1 958080606 CJZULHCFEJPHLZ-DZGCQCFKSA-N 313.357 -0.163 30 20 DBED CC#CCN1C[C@@H](O)[C@H](CNC(=O)c2c(O)nnc(C)c2C)C1 958313102 JNJWINILSUBJED-CHWSQXEVSA-N 318.377 -0.155 30 20 DBED O=C(NC[C@H]1COCCN1C(=O)C#CC1CC1)[C@@H]1CCOC1 964105317 QUBGBHSYYOLBGE-KGLIPLIRSA-N 306.362 -0.220 30 20 DBED CC(C)[C@@H](O)C(=O)N1CCOC2(CN(C(=O)[C@@H](C)C#N)C2)C1 965368513 DYZZLUDMSATVGU-NWDGAFQWSA-N 309.366 -0.397 30 20 DBED C#CCNC1CC2(C1)CC(NC(=O)CN1CCC(=O)NC1=O)C2 965749474 WEHNDNYWNANPAL-UHFFFAOYSA-N 318.377 -0.422 30 20 DBED N#CCN[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 968645051 LFEWUCAUYSJSAM-GHMZBOCLSA-N 302.338 -0.523 30 20 DBED COCCn1nc(C(=O)N2CC[C@@H](NCC#N)C2)ccc1=O 969257697 GZGFHONCTIBKLV-LLVKDONJSA-N 305.338 -0.783 30 20 DBED C#CCN(C)[C@H]1CCN(C(=O)[C@H]2C[C@H](OC)CN2C(C)=O)C1 972017352 RMFDCHPSTXZJBA-SOUVJXGZSA-N 307.394 -0.212 30 20 DBED C#CCCN1C[C@H]2CC[C@H]1CN2C(=O)[C@@H]1COCCN1C(C)=O 972130833 GTWMWQYITFSTDP-XHSDSOJGSA-N 319.405 -0.068 30 20 DBED C=CCN1CCO[C@]2(CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)C1 972549251 MZPMGVLMLNNAIS-WOSRLPQWSA-N 323.393 -0.491 30 20 DBED C=C(C)CN1C[C@@H]2C(CNC(=O)[C@H]3CCS(=O)(=O)N3)[C@H]2C1 979072501 KKGDXTWGMBOGEY-JHJVBQTASA-N 313.423 -0.452 30 20 DBED CC#CCN1C[C@@H]2CC[C@H](NC(=O)Cn3cnnn3)C[C@H]2C1 979513061 JYDILHMPNCGCSG-IHRRRGAJSA-N 302.382 -0.087 30 20 DBED C#CCN[C@H]1C[C@H](C)N(C(=O)c2nc(O)nc(O)c2OC)C1 989677104 VFLXOVNPDCDDIC-IUCAKERBSA-N 306.322 -0.278 30 20 DBED C=CCN1CC[C@@]2(NC(=O)Cn3cnc(C(N)=O)n3)CCC[C@@H]12 990767130 XHNHRIXRYDCWQY-ABAIWWIYSA-N 318.381 -0.324 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC(NC(=O)C[C@H]3COC(=O)C3)C2)c1 990830725 FZRDZIGYADHOCY-SECBINFHSA-N 316.317 -0.220 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)C(F)F)C[C@@H]2O)[nH]1 991397962 DJBXBEKBQOAGDP-WPRPVWTQSA-N 312.276 -0.157 30 20 DBED C#CCN1CCC[C@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)[C@@H]1C 994324348 AASYCWRRNKYICD-RYUDHWBXSA-N 320.393 -0.081 30 20 DBED C=CCn1cc(C(=O)N(C)C2CC(N[C@H](CC)C(N)=O)C2)nn1 999523566 PJJBPVYSOVHVMT-HTAVTVPLSA-N 320.397 -0.079 30 20 DBED COc1c[nH]c(C(=O)NCC2CN(C(=O)[C@@H](C)C#N)C2)cc1=O 1003219852 GYKFXIWJGDXSEK-VIFPVBQESA-N 318.333 -0.269 30 20 DBED C[C@H](C#N)C(=O)N1CC(CNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1003629914 OOXMVDBJSNBKOM-VZZFWQQMSA-N 321.377 -0.228 30 20 DBED C[C@@H](C#N)C(=O)N1CC(CNC(=O)[C@@H]2CCCC(=O)N2C)C1 1003656524 YODNQKGXZFBWSR-JQWIXIFHSA-N 306.366 -0.268 30 20 DBED C[C@H](C#N)C(=O)N1CC(CNC(=O)[C@H]2CCCc3nn[nH]c32)C1 1003911017 XVQCAFSYMPSFKI-KOLCDFICSA-N 316.365 -0.041 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)Cn2cnnn2)C1 1007006656 PYLWVNTYKQLGHC-SUNKGSAMSA-N 317.353 -0.670 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CCN(Cc3nc(O)n[nH]3)C2)[nH]1 1010645220 RTSGYKWNEBMJFM-SECBINFHSA-N 301.310 -0.286 30 20 DBED O=C(C#CC1CC1)N1CCN(C(=O)CCn2cnnn2)CC1 1011109083 MYZLJVPMTKWXQE-UHFFFAOYSA-N 302.338 -0.853 30 20 DBED NC(=O)[C@@H]1CC[C@H](C(=O)N2CCN(C(=O)C#CC3CC3)CC2)O1 1011110058 KNWFTKDMGGGMQE-QWHCGFSZSA-N 319.361 -0.897 30 20 DBED O=C(C[C@@H]1CCNC1=O)NC1[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]12 1013221897 JTQNVAXFVRHFKP-YNEHKIRRSA-N 315.373 -0.501 30 20 DBED C#CCN(C)[C@@H]1CCCN(C(=O)[C@H]2CN(C(C)=O)CCO2)C1 1027666290 CUQZOFYBNLJXRE-HUUCEWRRSA-N 307.394 -0.210 30 20 DBED N#CCN1CCC[C@@H]1CNC(=O)[C@@H]1CN2CC3CC2(CO1)C3 1028037039 MEOPWLZXPHXOKW-IQXANGCESA-N 304.394 -0.046 30 20 DBED C=CCn1cc(C(=O)NC2CN(Cc3cn(C)nn3)C2)nn1 1031069925 HANQLFUFAKMBRZ-UHFFFAOYSA-N 302.342 -0.793 30 20 DBED CN(C(=O)[C@@H]1CCN(C)S1(=O)=O)[C@H]1CCN(CC#N)C1 1033500883 FIZVPLLDVSSOSE-QWRGUYRKSA-N 300.384 -0.923 30 20 DBED CC#CCN1CCCC[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 1034421629 NZRDTLPJPCOQGM-RYUDHWBXSA-N 306.366 -0.422 30 20 DBED N#CCN1CCO[C@H](CNC(=O)c2ccnc3c2CC(=O)N3)C1 1035436724 UAAUEUNITVDUIF-SNVBAGLBSA-N 315.333 -0.470 30 20 DBED C[C@H]1CN(C(=O)Cn2ccc(O)nc2=O)CC[C@H]1NCC#N 1036102669 WZDRKHDXNDGOLH-WDEREUQCSA-N 305.338 -0.701 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2[C@H]3C[C@H]2N(Cc2nc(O)n[nH]2)C3)cn1 1037679379 KEURHDXIJLZMFS-ZKYQVNSYSA-N 324.344 -0.111 30 20 DBED C#CCCCC(=O)NC[C@]1(O)CCN(C(=O)C2=COCCO2)C1 1039569140 NZOSQNLVVOETOQ-MRXNPFEDSA-N 322.361 -0.242 30 20 DBED C=C(C)CCC(=O)N1CC[C@@](O)(CNC(=O)c2ncn(C)n2)C1 1039619943 UPLZODINXPZALP-OAHLLOKOSA-N 321.381 -0.135 30 20 DBED Cc1nc(C)c(C(=O)N2CC[C@@](O)(CNC(=O)[C@@H](C)C#N)C2)[nH]1 1040760973 BJDZMJMCWXSYBT-BJOHPYRUSA-N 319.365 -0.121 30 20 DBED CCCC(=O)NCC(=O)N1CC[C@@](O)(CNC(=O)[C@@H](C)C#N)C1 1040764591 WZVNFEMONDDOIT-XHDPSFHLSA-N 324.381 -0.858 30 20 DBED N#Cc1cncc(N2C[C@@H](O)[C@H](NC(=O)c3cncnc3)C2)n1 1040995430 IDRUQMZEATWGNJ-VXGBXAGGSA-N 311.305 -0.882 30 20 DBED C=CCN1CC[C@@H]2CCN(C(=O)CN3CCOCC3=O)C[C@@H]21 1042098974 VJWOWXYKZRHSMR-KGLIPLIRSA-N 307.394 -0.046 30 20 DBED CC(C)(O)CC(=O)N1CC(O)(CNC(=O)c2ccc(C#N)[nH]2)C1 1042608951 OAJSCDSSEXXOMU-UHFFFAOYSA-N 320.349 -0.650 30 20 DBED CC1(C(=O)NCC2(O)CN(C(=O)c3c[nH]c(C#N)c3)C2)CC1 1043376754 WDXALGQQUZIOMH-UHFFFAOYSA-N 302.334 -0.010 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)[C@H](C)NC(=O)CC)C1 1043402100 CUYULFOPYNOBNN-NSHDSACASA-N 311.382 -0.443 30 20 DBED Cc1ocnc1C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@@H]1O 1043843991 CNSHMCXMKYBKEB-MNOVXSKESA-N 314.305 -0.376 30 20 DBED Cc1cncn1CC(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1043910094 OUAUCHJDSLHLQF-UHFFFAOYSA-N 316.361 -0.706 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)[C@H]3CC3(F)F)C2)nn1 1043927953 WGFNHWBIZXUXKX-BBBLOLIVSA-N 309.276 -0.331 30 20 DBED Cc1nc[nH]c1CC(=O)NCC1(O)CN(C(=O)C#CC(C)C)C1 1044320124 XKQVBKNMQHXSPX-UHFFFAOYSA-N 318.377 -0.390 30 20 DBED C=C(C)C(C)(C)C(=O)NCC1(O)CN(C(=O)c2cnnn2C)C1 1044410106 QGXOIDAQSHLQPJ-UHFFFAOYSA-N 321.381 -0.280 30 20 DBED C=C[C@@H](C)[C@H](C)C(=O)NCC1(O)CN(C(=O)c2cnn[nH]2)C1 1044985837 NDYBZKOELNSKEV-ZJUUUORDSA-N 307.354 -0.434 30 20 DBED N#CCN1CC[C@@H](N2CCN(C(=O)C[C@@H]3CCC(=O)N3)CC2)C1 1046070310 RQSOYUXKDSDESC-UONOGXRCSA-N 319.409 -0.603 30 20 DBED Cc1nc2c([nH]1)C[C@H](C(=O)N(C)[C@H]1CN(CC#N)C[C@@H]1O)CC2 1047435633 LXUMOPAAMYIFTM-UGFHNGPFSA-N 317.393 -0.150 30 20 DBED Cc1nc2n(n1)C[C@@H](C(=O)N(C)[C@H]1CN(CC#N)C[C@@H]1O)CC2 1047468699 QPLDMWXDUQASRG-AVGNSLFASA-N 318.381 -0.824 30 20 DBED CC1CCN(C(=O)C(=O)N(C)[C@H]2CN(CC#N)C[C@@H]2O)CC1 1047554370 DFTGJEFZKRYXGM-STQMWFEESA-N 308.382 -0.728 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(CCOC)c2)C1 1047612507 KNSGBFZKRPYQGU-KBPBESRZSA-N 306.366 -0.720 30 20 DBED C=C(C)CN1C[C@H]2CN(C(=O)Cn3ncn(C)c3=O)C[C@H]2C1 1048906559 NBJSFPZOKGGTKN-BETUJISGSA-N 305.382 -0.452 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2nonc2C)C1 1049035502 WEBKPEPJLPQXAA-RYUDHWBXSA-N 320.349 -0.175 30 20 DBED C[C@@]1(C(=O)N2C[C@@H]3CN(CC#N)C[C@@H]3C2)CCCS1(=O)=O 1049113290 MAZWVMPTMGSVIA-SCRDCRAPSA-N 311.407 -0.133 30 20 DBED C[C@H](NC(=O)CC(N)=O)[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 1050404024 MWGHVVKQAUAJHU-ONGXEEELSA-N 317.349 -0.271 30 20 DBED C#CCCCC(=O)N[C@@H](C)[C@@H]1CCN(C(=O)Cn2ncnn2)C1 1050809932 WDGCVTZDYISEPO-QWHCGFSZSA-N 318.381 -0.170 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)[C@H]1COCCN1CCCC 1051042241 CTZHXCLYZJMGLX-HZPDHXFCSA-N 323.437 -0.063 30 20 DBED N#Cc1c[nH]ccc1=NC1CC(CNC(=O)[C@@H]2CCC(=O)N2)C1 1051971511 CMPBZAGBQHETDE-OVGLSYRBSA-N 313.361 -0.040 30 20 DBED C=CCOCC(=O)NC[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CC(N)=O 1053657053 JAPFMOLYFRHVMS-CLLJXQQHSA-N 323.393 -0.050 30 20 DBED COc1c[nH]c(C(=O)N[C@@H]2COC3(C2)CN(CC#N)C3)cc1=O 1053872504 XNXSVLSMIMTXNZ-JTQLQIEISA-N 318.333 -0.520 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)[C@@H]3CCNC(=O)CC3)CO2)C1 1053882073 SFQTUMXMRGHTMZ-RYUDHWBXSA-N 306.366 -0.614 30 20 DBED C=C[C@H](C)[C@@H](C)C(=O)NC1CCN(CCNC(=O)C(N)=O)CC1 1055629465 AZKSLJNMTWTOTN-NWDGAFQWSA-N 324.425 -0.373 30 20 DBED Cc1nn[nH]c1C(=O)N1CCC[C@](CO)(NC(=O)[C@H](C)C#N)C1 1056096241 GUUNXDAKEXIXPJ-OTYXRUKQSA-N 320.353 -0.644 30 20 DBED N#Cc1cnc(N2C[C@H]3[C@H](NC(=O)c4ccc(O)nn4)[C@H]3C2)cn1 1056113525 GLQDCTJQNGNLQJ-MSRIBSCDSA-N 323.316 -0.292 30 20 DBED N#Cc1cccnc1N1C[C@@H]2C(NC(=O)Cn3cncn3)[C@H]2C1 1056216313 JTQAIEBUJJKKLS-RYUDHWBXSA-N 309.333 -0.204 30 20 DBED N#Cc1ccc(N2C[C@H]3C(NC(=O)Cn4nccn4)[C@@H]3C2)nn1 1056316437 WYZVQODOVUHJCT-GHMZBOCLSA-N 310.321 -0.809 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)CCOCC(F)F 1057673685 MQUJEMPRULZTEP-SNVBAGLBSA-N 321.324 -0.245 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)CCc1ccnn1C 1057810139 LJCXKJXICFJHRN-LBPRGKRZSA-N 321.381 -0.551 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)Cn1ccc(C)n1 1058864274 MSPOVWLPEPSPSE-UHFFFAOYSA-N 324.381 -0.669 30 20 DBED N#Cc1nc(=NC[C@@H]2CCCCN2C(=O)c2nc[nH]n2)cc[nH]1 1060263991 FITYBZDWUYKBHW-JTQLQIEISA-N 312.337 -0.005 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)C(=O)NCC1CC1 1061824288 MEUADXPIXFUSSX-ZYHUDNBSSA-N 322.365 -0.984 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)c1ccncn1 1061847950 OAEGKZKNOAALRF-WDEREUQCSA-N 303.322 -0.407 30 20 DBED N#Cc1nc(N2C[C@@H]3C[C@H]2CN3C(=O)C(N)=O)sc1Cl 1062565964 LNHWDRUOHVTCDL-WDSKDSINSA-N 311.754 -0.057 30 20 DBED CN(C(=O)Cn1cnnn1)[C@H]1CCN(c2nccnc2C#N)C1 1062876536 HZWWMLUMWJESIS-JTQLQIEISA-N 313.325 -0.928 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)C[C@@H]2CC(=O)NC2=O)CCC1 1063596985 HZCZIMGIUHHYQE-NXEZZACHSA-N 320.349 -0.646 30 20 DBED N#Cc1nccc(N2CCO[C@@H](CNC(=O)c3nc[nH]n3)C2)n1 1063639413 QENGTCJFZFJPBB-VIFPVBQESA-N 314.309 -0.898 30 20 DBED N#Cc1cnc(N2CCO[C@H](CNC(=O)c3cnco3)C2)cn1 1063647928 SCNTWOGIPDXXQQ-LLVKDONJSA-N 314.305 -0.029 30 20 DBED C=C(C)CCC(=O)NC[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2)CCO1 1064973794 DTLBBCFCRDMYOC-CHWSQXEVSA-N 323.393 -0.035 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CN(C(=O)c2cncnc2O)CCO1 1065284495 MAZUTQICUDCKHQ-VHSXEESVSA-N 319.321 -0.701 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@H](CNC(=O)CSCC#N)C1 1065557206 ODSJBMFQEHKBPP-WDEREUQCSA-N 310.379 -0.254 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)CCc2cnc[nH]2)C1 1065559214 AMASSMWAJRPBLG-YPMHNXCESA-N 319.365 -0.154 30 20 DBED N#Cc1ccc(N[C@]2(CO)CCCN(C(=O)C(N)=O)C2)nc1 1066920654 XEHXQYSIUUVUFD-CQSZACIVSA-N 303.322 -0.796 30 20 DBED C#CCOCCC(=O)N(C)CCCN(C)C(=O)c1nc[nH]n1 1067425374 GWHIMXXVRSPPTL-UHFFFAOYSA-N 307.354 -0.235 30 20 DBED C[C@@H](Nc1ccc(C#N)nc1)[C@H]1CN(C(=O)CC(N)=O)CCO1 1068226793 ANWRQNYDDDKBQL-ZWNOBZJWSA-N 317.349 -0.144 30 20 DBED C#CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2nc(C)c[nH]2)C1 1070048282 IOLYGDWIMLUZNV-OLZOCXBDSA-N 313.365 -0.012 30 20 DBED C#CCN1CC[C@H](c2n[nH]cc2CNC(=O)c2nnn(C)n2)C1 1070419932 LSFCGFNIIXKMCF-JTQLQIEISA-N 314.353 -0.714 30 20 DBED C[C@@]1(C(=O)N2C[C@H]3C[C@@H]4CN(CC#N)C[C@]3(C2)O4)CCNC1=O 1070854236 XBURNTPRNRYXOJ-CZPYZCIJSA-N 318.377 -0.662 30 20 DBED C#CCCN1C[C@@H](NC(=O)CN2CCNC(=O)C2)CC[C@@H]1C 1071739355 RKGWWPJWDBJGGQ-KBPBESRZSA-N 306.410 -0.589 30 20 DBED C=CCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2CS(=O)(=O)C2)C1 1071790153 DLWCZKWVHUQJQW-PWSUYJOCSA-N 314.407 -0.040 30 20 DBED CNC(=O)NCC(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C 1072046816 YFNJZYCPTOUSPG-ZYHUDNBSSA-N 306.366 -0.708 30 20 DBED C=CCOCC(=O)N[C@H]1CN(C(=O)c2cncnc2O)C[C@H]1C 1072339831 PXQPDUOWBRBPIT-PWSUYJOCSA-N 320.349 -0.039 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1C 1072632384 LRKFZZLKHYGNBW-VXGBXAGGSA-N 321.377 -0.745 30 20 DBED N#CCN1CCO[C@@H]2CCN(C(=O)CN3CCOCC3)C[C@H]21 1074219406 OVYXXZXUHJJQIN-ZIAGYGMSSA-N 308.382 -0.856 30 20 DBED COc1cc(C(=O)N2CC[C@H]3OCCN(CC#N)[C@@H]3C2)ncn1 1074242111 SJGDAUHCXSYXJJ-CHWSQXEVSA-N 317.349 -0.076 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)c3cncnc3O)C[C@H]21 1074276880 UZVVKKSOHWFVSM-OLZOCXBDSA-N 302.334 -0.269 30 20 DBED COc1ccc(C(=O)N2CC[C@H]3OCCN(CC#N)[C@@H]3C2)nn1 1074378668 ZPRDLTZJBDRKDB-CHWSQXEVSA-N 317.349 -0.076 30 20 DBED Cn1cncc1CC(=O)N1CC[C@@H]2OCCN(CC#N)[C@H]2C1 1074384946 PGOHWQCFQVKAMF-KBPBESRZSA-N 303.366 -0.212 30 20 DBED C#CCN1C[C@@H]2CCN(C(=O)Cc3ccc(C(N)=O)nc3)[C@@H]2C1 1075947191 PVLZUPDUDZKIMG-DZGCQCFKSA-N 312.373 -0.111 30 20 DBED C=CCOCC(=O)N[C@@H](C)CCNC(=O)C[C@H](C)NC(N)=O 1076519646 JHEKNNCWZNDJLQ-QWRGUYRKSA-N 314.386 -0.353 30 20 DBED C#CCCCC(=O)N[C@@H](C)CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 1076541236 SNLXNDSMXAFRCT-QWRGUYRKSA-N 322.365 -0.601 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2csc(NC(C)=O)n2)C1 1077283616 NKTAIWJAFSKMSC-MWLCHTKSSA-N 308.363 -0.490 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)c2ccc3nc(O)[nH]c3n2)C1 1077576262 GUVSQIBTUGENNU-GHMZBOCLSA-N 303.322 -0.376 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)C2CCN(C(N)=O)CC2)C1 1078154051 MDHWZWXBMNLRCV-CHWSQXEVSA-N 310.398 -0.486 30 20 DBED C[C@H](C#N)C(=O)NC1(CO)CCN(C(=O)c2nc[nH]n2)CC1 1080981806 MHFSCQZQANWQNW-SECBINFHSA-N 306.326 -0.952 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1O 1081337390 DWJMYHNSEZMLGI-VXGBXAGGSA-N 307.354 -0.820 30 20 DBED C#CCN1C[C@@H](NC(=O)c2ccn(CCOC)n2)[C@H](OC)C1 1081930521 NNBWGSSPDIYLEH-ZIAGYGMSSA-N 306.366 -0.408 30 20 DBED C#CCNC(=O)CC(=O)N1CCCC[C@H]1CNC(=O)CCOC 1082016716 AQNOPURVVNYZJT-ZDUSSCGKSA-N 323.393 -0.340 30 20 DBED COc1ccnc(O)c1C(=O)N[C@@H]1CN(CC#N)C[C@H]1OC 1082329272 KAXXHUHCXSMORI-MWLCHTKSSA-N 306.322 -0.252 30 20 DBED C[C@@H]1CN(C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1NCC#N 1082651135 KSGYZCKNZVTOME-LPWJVIDDSA-N 308.382 -0.240 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)c2csc(NC(C)=O)n2)C1 1083596648 JESHNXHBSFTUKO-PWSUYJOCSA-N 322.390 -0.100 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)CC3CS(=O)(=O)C3)C[C@@H]2C1 1088018192 LPZUZACASZNMAK-KGLIPLIRSA-N 310.419 -0.165 30 20 DBED CNC(=O)NCC(=O)N[C@@H](C)C[C@H](C)Nc1ccc(C#N)nn1 1089498840 JYHLZLMCGHTWMK-UWVGGRQHSA-N 319.369 -0.028 30 20 DBED CN(C)CCCC(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1O 1090522804 RRZBDYKSEXXSQV-HUUCEWRRSA-N 317.393 -0.039 30 20 DBED Cc1cn2ccnc(C(=O)N[C@@H]3CCN(CC#N)C[C@H]3O)c2n1 1090706939 MFFOBQACYHXENO-VXGBXAGGSA-N 314.349 -0.274 30 20 DBED CN(C)c1ccnc(C(=O)N[C@@H]2CCN(CC#N)C[C@H]2O)c1 1090838903 GRNVKHKVRAXGJY-TZMCWYRMSA-N 303.366 -0.164 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2cccc3nnn(C)c23)[C@@H](O)C1 1090856758 HPURKVCDVMKDNJ-OCCSQVGLSA-N 313.361 -0.234 30 20 DBED CC(C)(C)OCC(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1091094536 UWJVHVQZLSRLRA-MNOVXSKESA-N 319.365 -0.171 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1091150069 JONSLLJAFLEZFV-OLZOCXBDSA-N 315.333 -0.946 30 20 DBED N#Cc1c[nH]ccc1=NCCNC(=O)[C@H]1CCc2nn[nH]c2C1 1093761024 NJMHNQJYYCLVAZ-JTQLQIEISA-N 311.349 -0.174 30 20 DBED N#Cc1nc(=NCCNC(=O)[C@H]2CCCN(C(N)=O)C2)cc[nH]1 1093993006 YCMDEYOWUYHAOW-JTQLQIEISA-N 317.353 -0.911 30 20 DBED N#Cc1cnc(NCCNC(=O)[C@@H]2CCCCC(=O)N2)cn1 1094113446 UNQPPLGHZXDNQM-NSHDSACASA-N 302.338 -0.065 30 20 DBED COc1cc(C(=O)NCCN=c2cc[nH]c(C#N)n2)nn1C 1094262490 HDOKYDYHUIGKHO-UHFFFAOYSA-N 301.310 -0.646 30 20 DBED CS(=O)(=O)CC(=O)NC[C@@H](Nc1cnc(C#N)cn1)C1CC1 1096612303 XQQDSLWLYTWSEJ-LLVKDONJSA-N 323.378 -0.300 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@H](Nc2ccc3nnnn3n2)C1 1096962441 OVBDPRHVVAOMJM-MNOVXSKESA-N 315.337 -0.430 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CCCC(=O)N1C)N=c1cc[nH]c(C#N)n1 1097985351 MXMXOVGSLFSMNK-QWRGUYRKSA-N 316.365 -0.302 30 20 DBED Cc1nonc1CC(=O)N1CCC(N(CC#N)CCO)CC1 1098518497 QHQCGNUCJRUPHJ-UHFFFAOYSA-N 307.354 -0.271 30 20 DBED CNC(=O)CC(=O)N[C@H]1CCC[C@H](N=c2cc[nH]c(C#N)n2)C1 1098618332 ZHJJIVLOBIBFBV-QWRGUYRKSA-N 316.365 -0.254 30 20 DBED C#CCN1C[C@@H]2CCC[C@]2(NC(=O)CN2C(=O)CNC2=O)C1 1099152466 KZKKAKBWPMTCIR-NHYWBVRUSA-N 304.350 -0.858 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)C2CC(C)(C)C2)[C@@H](O)C1 1099801821 KQLNBHSFHHRPJA-KGLIPLIRSA-N 321.421 -0.277 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2n[nH]cc2C)[C@H](O)C1 1099813680 SNZLGYDWPAOCIJ-QWHCGFSZSA-N 306.366 -0.467 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)CN(C)C(C)C)[C@@H](O)C1 1100132075 NCDOXLWRZPONCK-CABCVRRESA-N 311.426 -0.472 30 20 DBED CC[C@]1(C(=O)NCCN(C)c2cncc(C#N)n2)CCNC1=O 1100402477 BHPBQTSANUUZPW-HNNXBMFYSA-N 316.365 -0.183 30 20 DBED N#CCNC1CC(CNC(=O)Cn2nc3n(c2=O)CCCC3)C1 1100834007 PTBBQRINZBRRCM-UHFFFAOYSA-N 318.381 -0.611 30 20 DBED COCC#CCN1C[C@@H]2CN(C(=O)c3nnn(C)n3)C[C@]2(C)C1 1101327338 VQKMMOPKBZTYQE-DOMZBBRYSA-N 318.381 -0.746 30 20 DBED C=CCCCN1CC2(C[C@@H](NC(=O)C(N)=O)c3nccn32)C1 1101641293 MNNCAIBILGVNEV-LLVKDONJSA-N 303.366 -0.094 30 20 DBED CN(CCN=c1cc[nH]cc1C#N)C(=O)CCN1CCOCC1 1101685309 YKROHPDYZXWJDW-UHFFFAOYSA-N 317.393 -0.032 30 20 DBED C[C@H](CNc1cncc(C#N)n1)N(C)C(=O)[C@H]1COC(=O)N1 1104544614 HPHXVNBMZYYYKH-PSASIEDQSA-N 304.310 -0.285 30 20 DBED Cc1cc(C#N)nc(N(C)CCN(C)C(=O)c2cnnn2C)n1 1105393310 QIBLLHOZEOJGDE-UHFFFAOYSA-N 314.353 -0.006 30 20 DBED N#Cc1nc(=NC[C@H](O)CNC(=O)CC(F)(F)F)cc[nH]1 1105729655 RAZKAABOAWCMGM-ZETCQYMHSA-N 303.244 -0.388 30 20 DBED COc1cc(C(=O)NC[C@@H](O)CNc2ccc(C#N)nn2)on1 1105794298 CQSTYXCXOMVIBA-VIFPVBQESA-N 318.293 -0.452 30 20 DBED Cc1cc(C#N)nc(NC[C@H](O)CNC(=O)[C@@H]2CCN(C)C2)n1 1105852887 BQQPBFPEUYHRBD-DGCLKSJQSA-N 318.381 -0.503 30 20 DBED CC(C)OCCCC(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1 1105886532 PWXLOIMULKEHNY-LBPRGKRZSA-N 321.381 -0.136 30 20 DBED C=C1CC(C)(C(=O)NC[C@H](O)CNc2ccc3nnnn3n2)C1 1106094107 FESJWKJFGGUAHG-SNVBAGLBSA-N 317.353 -0.235 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H](O)CNc1ccc(C)nn1 1106154678 MQDSHXBXPJPZJP-KGLIPLIRSA-N 317.393 -0.228 30 20 DBED C[C@@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)[C@H]1OCCO[C@H]1C 1106626405 WDORLZGFCBOQPZ-MJVIPROJSA-N 319.365 -0.119 30 20 DBED CC#CCN1CC(n2cc(CNC(=O)Cn3nccn3)nn2)C1 1107176709 IVYFCRZSQQZMMQ-UHFFFAOYSA-N 314.353 -0.934 30 20 DBED C=CCOCCN1CCO[C@@](C)(CNC(=O)Cn2nccn2)C1 1107973015 ODEDWEZKEBWYQT-HNNXBMFYSA-N 323.397 -0.312 30 20 DBED CCN1CCOC[C@H]1C(=O)N[C@H](C)CNc1ccc(C#N)nn1 1107994707 NBRFXEVQQCRJDQ-YPMHNXCESA-N 318.381 -0.014 30 20 DBED C=CCN1CCO[C@](C)(CNC(=O)CCS(C)(=O)=O)C1 1108027649 WEWDYUDDFZCZII-CYBMUJFWSA-N 304.412 -0.186 30 20 DBED C=CCN1CCO[C@@](C)(CNC(=O)[C@H](C)S(C)(=O)=O)C1 1108029368 VILFTIVSIUJODG-AAEUAGOBSA-N 304.412 -0.187 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)c2cn(C)nc2OC)C1 1108113249 HRQOZTDGCJMPCU-HNNXBMFYSA-N 306.366 -0.117 30 20 DBED C[C@H](CNc1ccc(C#N)nn1)NC(=O)[C@@H]1CCC(=O)NC1 1108204208 VAASSDOPJJNUEP-NXEZZACHSA-N 302.338 -0.209 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)[C@]1(C)CCC(=O)N1 1108671278 KHBFIVOCFDVSFC-XPTSAGLGSA-N 302.338 -0.645 30 20 DBED CC(=O)N[C@H](C)C(=O)N[C@@H](C)CN(C)c1cnc(C#N)cn1 1108818574 ORYSZHVFNQBTPW-VHSXEESVSA-N 304.354 -0.186 30 20 DBED CNC(=O)NCCC(=O)N[C@H](C)CN(C)c1cnc(C#N)cn1 1108933616 RDVDBMCMVFEFRF-SNVBAGLBSA-N 319.369 -0.392 30 20 DBED C[C@@H](CN(C)c1ccc(C#N)nn1)NC(=O)[C@H]1CCCC(=O)N1 1109132113 YSWUAWDMNVQMPJ-CMPLNLGQSA-N 316.365 -0.042 30 20 DBED CC(=O)NCC(=O)N[C@@H](CNc1cncc(C#N)n1)C1CC1 1109781083 LARUSXIJDXSMHF-LBPRGKRZSA-N 302.338 -0.209 30 20 DBED C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1110391370 JUOPKYVCCNFCMT-UPJWGTAASA-N 306.366 -0.450 30 20 DBED COCCOCC(=O)N1CCC[C@H]1CN=c1cc[nH]c(C#N)n1 1110532209 FCTADKLHYQRTRW-LBPRGKRZSA-N 319.365 -0.164 30 20 DBED C[C@]1(NC(=O)CCNC(N)=O)CCN(c2cncc(C#N)n2)C1 1110760564 PNLAMYBVHCUHMX-AWEZNQCLSA-N 317.353 -0.508 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@]1(C)CCNC1=O 1111016670 QLKSZWGNMQDXQV-WVZRYYJFSA-N 319.405 -0.116 30 20 DBED CCO[C@@H](C)C(=O)NC[C@]1(O)CCN(c2ccnc(C#N)n2)C1 1111029067 BQKCVKBUKUGVHP-XHDPSFHLSA-N 319.365 -0.169 30 20 DBED CCOCC(=O)N[C@@]1(CO)CCCN(c2ccnc(C#N)n2)C1 1111326840 SVVZOWTTWUZTQJ-HNNXBMFYSA-N 319.365 -0.168 30 20 DBED C=CCOCCN1C[C@@H]2CCC[C@]2(NC(=O)Cn2cnnn2)C1 1111581026 CBFFUQSYCQDHKX-ZFWWWQNUSA-N 320.397 -0.154 30 20 DBED CC(=O)NCC(=O)NCC1(Nc2cncc(C#N)n2)CCC1 1111748235 MWBAPIXKZRMUNC-UHFFFAOYSA-N 302.338 -0.065 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)c2cc(C)on2)CC1 1112604769 PWTJEKBJFLLFFM-GFCCVEGCSA-N 304.350 -0.121 30 20 DBED C#CCNC(=O)CC(=O)N1CCN(Cc2cnoc2C)CC1 1112777914 SHLBLYQRBFPOEV-UHFFFAOYSA-N 304.350 -0.233 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2cc(CC)n(C)n2)CC1 1113732949 GKOJCBBTARBQQI-UHFFFAOYSA-N 317.393 -0.510 30 20 DBED C[C@H](CNC(=O)C1CS(=O)(=O)C1)N(C)c1ccnc(C#N)n1 1113734185 ZBSAHWGNNLAQFJ-SECBINFHSA-N 323.378 -0.666 30 20 DBED C[C@H](CNC(=O)C[C@H]1CCNC1=O)N(C)c1nccnc1C#N 1113755529 FIULYEHEZRITFN-GHMZBOCLSA-N 316.365 -0.185 30 20 DBED CNC(=O)CC(=O)N[C@H]1CN(c2ccnc(C#N)n2)CC[C@@H]1C 1114011562 RXUPDXZTRHLUGF-QWRGUYRKSA-N 316.365 -0.185 30 20 DBED C=CCNC(=O)NC(=O)CN1C[C@H]2C(NC(=O)[C@H](C)C#N)[C@@H]2C1 1114067218 OSKVDCBPNCDZTF-GMTAPVOTSA-N 319.365 -0.796 30 20 DBED C#CCOCCC(=O)N[C@H]1[C@@H]2CN(CCN3CCNC3=O)C[C@@H]21 1114268309 JJKZWKOXAKXZJA-NHAGDIPZSA-N 320.393 -0.902 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)CO[C@H]3CCOC3)[C@@H]2C1 1114278596 UJHMGRHFGZYMGC-BFHYXJOUSA-N 308.378 -0.512 30 20 DBED C=C(Cl)CN1C[C@H]2[C@H](NC(=O)[C@H](C)NC(=O)COC)[C@H]2C1 1114321461 NJOXYOGHWGQPNT-MEWQQHAOSA-N 315.801 -0.064 30 20 DBED Cc1c[nH]c(C(=O)NC2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]23)n1 1114949831 RCLMUOYLMXJEAN-NXEZZACHSA-N 302.338 -0.982 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)Cc3ccc[nH]3)[C@H]2C1 1115270162 VBYIWBRSPFTRRN-STQMWFEESA-N 302.378 -0.094 30 20 DBED C[C@H](CN(C)C(=O)COCCN(C)C)N=c1cc[nH]c(C#N)n1 1115779466 MNIWEQKJTVWSBP-GFCCVEGCSA-N 320.397 -0.393 30 20 DBED C=CCOC[C@@H](NC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)OC 1116886456 SLUNZGIGEDRCCK-VHSXEESVSA-N 305.352 -0.719 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2[C@H]3CC[C@H]2CC(O)C3)nn1 1118115731 HSCWHKWCRILVBA-RYUDHWBXSA-N 319.365 -0.405 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1CCC2(CCNC2=O)CC1 1119322395 LNISLWKUUFHUGO-NSHDSACASA-N 308.382 -0.011 30 20 DBED N#Cc1cnc(N[C@@H](CO)CNC(=O)COCC2CC2)cn1 1121092672 PYDHZKOIFSVCQT-GFCCVEGCSA-N 305.338 -0.336 30 20 DBED C[C@@H](C(=O)NC[C@H](CO)Nc1ccc(C#N)nn1)n1cncn1 1121346083 JYGOMSSWMTZARD-GXSJLCMTSA-N 316.325 -0.910 30 20 DBED N#Cc1cnc(N[C@H](CO)CNC(=O)[C@H]2COC(=O)N2)c(F)c1 1121386011 JZUGGKCRPLKTMS-WCBMZHEXSA-N 323.284 -0.910 30 20 DBED N#Cc1c[nH]ccc1=N[C@H](CO)CNC(=O)Cc1cnoc1 1122391095 MBFVWAUDLKARFU-LBPRGKRZSA-N 301.306 -0.505 30 20 DBED CN(C[C@@H](O)CNc1nccnc1C#N)C(=O)c1cnn(C)c1 1124030924 VXUIYLKMFOAPCB-NSHDSACASA-N 315.337 -0.373 30 20 DBED C=C(C)CN(CC)C(=O)CNCCNC(=O)CNC(=O)OC 1124172873 QWQPOPCOUMEEKP-UHFFFAOYSA-N 314.386 -0.527 30 20 DBED C=CCOCC(=O)N(C)C[C@H](O)CN=c1cc[nH]cc1C#N 1124195745 ACKJOZJAKPBQFY-CYBMUJFWSA-N 304.350 -0.191 30 20 DBED CN(C[C@H](O)CN(C)c1cnc(C#N)cn1)C(=O)c1nc[nH]n1 1125140360 YLDZZXXNQDIDRT-SNVBAGLBSA-N 316.325 -0.964 30 20 DBED C=C(C)CCC(=O)NCCNCC(=O)NCC(=O)N1CCCC1 1128417811 HACDMVDCIIYMJT-UHFFFAOYSA-N 324.425 -0.213 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1ncc(OC)cc1F 1128949122 HGHOMMVVBIVLKO-SNVBAGLBSA-N 322.340 -0.313 30 20 DBED CC#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H](C)CC(N)=O)C1 1129154095 KEJADSYJVNSZMY-XQQFMLRXSA-N 318.381 -0.846 30 20 DBED CNC(=O)CN[C@@H]1CN(C(=O)C#CC(C)C)C[C@@H]1n1ccnn1 1129821998 AAOPSAOEGCOQRY-OLZOCXBDSA-N 318.381 -0.975 30 20 DBED CC#CCN1C[C@H]2C[C@@H]3CN(C(=O)CCCC(N)=O)C[C@@]3(C1)O2 1131297377 AHEZGTUBGIARLE-CKEIUWERSA-N 319.405 -0.033 30 20 DBED C=C[C@H](CC)CC(=O)N1CCC(=O)NCCN(CC(N)=O)CC1 1131374419 YVXIDULWVFAKLM-CYBMUJFWSA-N 324.425 -0.276 30 20 DBED C=C(C)CN1CC[C@@]2(C1)CN(C(=O)CNC(N)=O)C[C@@H](C)O2 1131628145 DWUZEHZBZUDIDR-IUODEOHRSA-N 310.398 -0.077 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)c1coc(OC)n1 1131920979 SVLZTWMDAAQQOU-UHFFFAOYSA-N 323.353 -0.235 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)CCNC(=O)C(C)(C)C 1132135501 NRPDYQHMRGOULK-GFCCVEGCSA-N 324.425 -0.618 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)CN2CCCC2)CC[C@H]1C 1132489430 JJSGUPWIRABXKD-CABCVRRESA-N 320.437 -0.199 30 20 DBED CC#CCN1C[C@H](NC(=O)CS(=O)(=O)NC)CC[C@H]1C 1132501476 XDXYUUYHBOWWSN-VXGBXAGGSA-N 301.412 -0.472 30 20 DBED C=CCOCCN1CCC2(C1)CN(C(=O)Cn1ncnn1)C2 1147565667 HSOZTORCHSHNJV-UHFFFAOYSA-N 306.370 -0.590 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(CC(=O)N2CCC2)CCCO1 1149687920 RVGQJIPTTCRZGX-HNNXBMFYSA-N 319.405 -0.161 30 20 DBED CC#CCN1CCCO[C@H](CNC(=O)C[C@H]2CCC(=O)N2)C1 1150434674 CWGBUAWGNWXEEQ-ZIAGYGMSSA-N 307.394 -0.115 30 20 DBED C=CCCOCC(=O)NCCNCC(=O)N1CCO[C@@H](C)C1 1153091577 UOOOLSSOJJWSLL-ZDUSSCGKSA-N 313.398 -0.468 30 20 DBED C=CCO[C@@H](C)C(=O)NCCNCC(=O)NCC(F)(F)F 1153097555 OVYXYENFQKIWBF-VIFPVBQESA-N 311.304 -0.038 30 20 DBED C[C@@H](C#N)C(=O)NCCCNCCCS(=O)(=O)N(C)C 1155849479 YXYMYUIYYCUYKE-NSHDSACASA-N 304.416 -0.477 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)[C@@H]1CN(C)CCO1 1156125093 HKHQBNPUYFOBLA-STQMWFEESA-N 312.414 -0.896 30 20 DBED N#Cc1cc(C(=O)NCCCNCCN2CCNC2=O)c[nH]1 1156841585 OWZVMULFVJMMBC-UHFFFAOYSA-N 304.354 -0.379 30 20 DBED C=CCCOCC(=O)NC[C@@H](C)N(CC)CC(=O)NC(N)=O 1157203375 KMLGHSIGLRXPSL-LLVKDONJSA-N 314.386 -0.399 30 20 DBED N#CCNC(=O)CNCCCNC(=O)c1nc2c(s1)CCC2 1162578614 SGOKDJZMGLSWPY-UHFFFAOYSA-N 321.406 -0.019 30 20 DBED CCO[C@@H]1C[C@@H]1C(=O)NCCC1(CNCC(=O)NCC#N)CC1 1163594875 VJSKTCKMBJODHR-QWHCGFSZSA-N 322.409 -0.073 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@H]1CC[C@@H](C(N)=O)C1 1166772265 CHFSYXJSNFGKHX-NEPJUHHUSA-N 310.398 -0.714 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)c1cccn(C)c1=O 1171544376 WQAGAAIWGCTZBO-GFCCVEGCSA-N 318.377 -0.767 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)[C@H]2CCC(=O)N2)[C@H]1C 1178346834 RAVYBWVBZJPAOI-MROQNXINSA-N 322.409 -0.465 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2[nH]c(O)nc2C)C1 1183475332 KBMGGTJQFJKPOU-WDEREUQCSA-N 319.365 -0.634 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2n[nH]cc2F)C1 1185487020 PBXYLDHOOZGCDE-NXEZZACHSA-N 307.329 -0.509 30 20 DBED C#CCCNC[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)C[C@@H]1C 1185640774 KMZHWKXTEXAMOV-QWHCGFSZSA-N 320.393 -0.364 30 20 DBED C[C@@H]1CN(C(=O)c2cn(C)c(=O)nc2O)CC[C@H]1CNCC#N 1185683022 VWWBQYNEODHARM-MNOVXSKESA-N 319.365 -0.303 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)c2ccc(C(N)=O)[nH]2)C1 1185699392 VAHXAKVEUHIPNG-LLVKDONJSA-N 304.350 -0.433 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@@H]1CCN(C(=O)CSCC#N)C1 1188984232 WVXMADAHMCJQHS-CHWSQXEVSA-N 322.434 -0.086 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](N(C)Cc2nc(O)n[nH]2)C1 1190129202 QZBTWGUAIWCUNM-LLVKDONJSA-N 307.354 -0.417 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(CCO[C@@H]2CC2(F)F)C[C@H]1O 1191777028 CVHZKNCJZPKGAQ-IJLUTSLNSA-N 320.336 -0.226 30 20 DBED C#CCOCCC(=O)N1CCCN(Cc2nnnn2C)CC1 1195824254 PAVLVURHGHJIMG-UHFFFAOYSA-N 306.370 -0.716 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 1197208460 AQYIWVOCDXBBDW-KFWWJZLASA-N 319.405 -0.162 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H](NC(C)=O)[C@@H](C)CC)C1 1198917714 OGKJNTTYRWPSGL-MYPMTAMASA-N 309.410 -0.278 30 20 DBED CN1CCCC[C@@H](C(=O)N2CCCO[C@@H](CNCC#N)C2)C1=O 1201857699 XARFDMQSPGVJJH-UONOGXRCSA-N 322.409 -0.024 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)Cc2cc(C)[nH]n2)[C@H](C)C1 1206825584 PBXOILSSYRRISE-BXUZGUMPSA-N 317.393 -0.553 30 20 DBED CNC(=O)CCCC(=O)N[C@@H]1CN(CC#CCOC)C[C@H]1C 1206897136 KHYBBLWQIGXBSI-ZIAGYGMSSA-N 309.410 -0.011 30 20 DBED C#CCOCCC(=O)N1CCC[C@H](NCC(=O)NC2CC2)C1 1208032653 VARQCZVZNDVMPE-AWEZNQCLSA-N 307.394 -0.115 30 20 DBED C#CCCN[C@@H]1CCCN(C(=O)[C@@H](C)NS(C)(=O)=O)C1 1209835441 BJFZSNDUZRCZIS-VXGBXAGGSA-N 301.412 -0.472 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)C2(C(=O)NC)CC2)C1 1210124332 ARRBUEQETPTUQL-LBPRGKRZSA-N 322.409 -0.605 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)c2cnon2)C1 1210236944 QVRKUMNPIBOQAG-GHMZBOCLSA-N 305.338 -0.598 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(Cc2nc(O)n[nH]2)C[C@H]1OC 1212031896 ACMMCUCLCZONCR-NXEZZACHSA-N 311.342 -0.972 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1C 1214558049 PUPCWICHCQJMFN-IJLUTSLNSA-N 320.397 -0.444 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CCCCNC(N)=O 1218261382 YGWJBEMEULHDAH-UONOGXRCSA-N 322.409 -0.240 30 20 DBED N#CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CC12CC2 1218682734 JBCBEWABMCMIDB-FRRDWIJNSA-N 318.377 -0.662 30 20 DBED Cc1oncc1CN1C[C@H](O)[C@H](NC(=O)CSCC#N)C1 1219216078 CADHTKGKIHTBGW-NEPJUHHUSA-N 310.379 -0.099 30 20 DBED Cc1coc(C)c1C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@@H]1O 1219550506 BNSXKSMJOVZYMF-NEPJUHHUSA-N 320.349 -0.689 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)CCOCC)CC1 1222604718 JPVUEYQGXXBJDW-UHFFFAOYSA-N 309.410 -0.009 30 20 DBED CC(C)C#CC(=O)NCC1CCN(CC(=O)NC(N)=O)CC1 1223114508 NDBDYCKMWQXFDS-UHFFFAOYSA-N 308.382 -0.331 30 20 DBED COCC#CCN1CCC(CNC(=O)Cn2nccn2)CC1 1223328342 RMKNTASXILKFSC-UHFFFAOYSA-N 305.382 -0.244 30 20 DBED C#CCN1CCC(CNC(=O)Cn2ccc(=O)n(C)c2=O)CC1 1223382709 MPTTZUYFKWGFIA-UHFFFAOYSA-N 318.377 -0.992 30 20 DBED CCC[C@@H](C(=O)NC1CCN(CC#N)CC1)S(N)(=O)=O 1228448385 GOLJFKBYZXZLAM-NSHDSACASA-N 302.400 -0.452 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)[C@@]2(C)CCOC2)CC1 1229731226 ACCDEPVNBLZYNW-INIZCTEOSA-N 307.394 -0.257 30 20 DBED N#CCN1CCS(=O)(=O)[C@@H](CCNC(=O)[C@@H]2CCOC2)C1 1230516722 JYRQDFODZYDAMX-NEPJUHHUSA-N 315.395 -0.848 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CO[C@@H](C)C2)C1=O 1261478589 SPAQSIABZGQETL-SRVKXCTJSA-N 309.366 -0.475 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@H](NC(=O)c2c[nH]nc2C)C1 1266334016 YOKPQSVFEMHVFW-RYUDHWBXSA-N 303.366 -0.340 30 20 DBED C#CCNC(=O)C1CCN(C(=O)[C@H]2CCN(C)C(=O)C2)CC1 1321774657 KSMMJYNRWDTKJQ-ZDUSSCGKSA-N 305.378 -0.157 30 20 DBED CCN1CCN(C(=O)C(=O)NCC#Cc2ccccc2)CC1=O 1322988208 LFAMDSZOXLECRJ-UHFFFAOYSA-N 313.357 -0.155 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N[C@@H]1C[C@@H](OCC)[C@@H]1OC 1324457873 VOTQRQOIBZIPGW-MGPQQGTHSA-N 306.362 -0.220 30 20 DBED CNC(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(C#N)cn2)C1 1324501414 AFCOSYQIMRBSFO-LLVKDONJSA-N 315.333 -0.124 30 20 DBED C#CCCCC(=O)N1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 1324606473 CMVKMSIWLCITIE-STQMWFEESA-N 314.407 -0.908 30 20 DBED O=C(CS[C@H]1CCS(=O)(=O)C1)N[C@@H]1CCCN(O)C1=O 1325089904 VDIZCAOFZZJIFX-DTWKUNHWSA-N 322.408 -0.597 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)NCCCO[C@H]2CCOC2)CCO1 1325270558 JKJXDXJBBYQXPH-RYUDHWBXSA-N 311.338 -0.951 30 20 DBED CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)[C@H](C)CO1 1332675035 HIYNYKABGAKQST-JMSVASOKSA-N 309.366 -0.111 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCC[C@@H]1C1OCCO1)[C@@H]1CCCO1 1334905433 AUURQVBTZPVNEJ-XQQFMLRXSA-N 322.361 -0.353 30 20 DBED CO[C@]1(CNC(=O)C(=O)NC2CCN(CC#N)CC2)CCOC1 1341933149 FNEFGNIMGUVBSV-HNNXBMFYSA-N 324.381 -0.988 30 20 DBED C#CCN(C(=O)C(=O)NCCOCCS(C)(=O)=O)C(C)C 1351342098 CIXIFPMNWPTAHQ-UHFFFAOYSA-N 318.395 -0.966 30 20 DBED CO[C@@H]1CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)[C@H](C)C1 1362436005 SZVLSVDSWXGWCF-MWLCHTKSSA-N 306.322 -0.154 30 20 DBED CN(CC(=O)NCc1ccnc(C#N)c1)[C@H]1CCS(=O)(=O)C1 1362624335 XXSUAHWOPNHRNF-ZDUSSCGKSA-N 322.390 -0.312 30 20 DBED Cn1c(=O)[nH]c(NCc2nc(C(F)(F)F)n[nH]2)c(C#N)c1=O 1363733628 NINPEPWKJIZSFK-UHFFFAOYSA-N 315.215 -0.306 30 20 DBED N#Cc1ccc(NC(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)cc1F 1364375923 MNOTUXQITLBTJK-GHMZBOCLSA-N 313.310 -0.023 30 20 DBED C=C(Cl)CN(CCC)CCNC(=O)CN1CCNC(=O)C1 1372718236 PKYLJLSEMITBRZ-UHFFFAOYSA-N 316.833 -0.001 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CN(C)C(=O)CCN1CCCC1=O 1383000846 WJKCHYONWHNSEY-RYUDHWBXSA-N 324.381 -0.906 30 20 DBED C[C@H](C#N)C(=O)N1CCC(NC(=O)CCn2ccnn2)CC1 1385396280 KQAPMUFQFRGVDO-LLVKDONJSA-N 304.354 -0.065 30 20 DBED C=C(Cl)CNC[C@H](O)CN(C)C(=O)CN1CCCNC1=O 1411052839 GCEOREBLPSCZCO-NSHDSACASA-N 318.805 -0.437 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@]1(C)CCN(C(=O)c2ncn(C)n2)C1 1411064713 VFCIGTQBKBGELA-IINYFYTJSA-N 304.354 -0.057 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@@H]1CCCN(C(=O)CCn2cnnn2)C1 1428940907 AAELCVKPNYTJQW-VXGBXAGGSA-N 319.369 -0.328 30 20 DBED CC(=O)N[C@@H](C(=O)N1CCN(C(=O)[C@@H](C)C#N)CC1)C(C)C 1429486878 HPNLESLGZHINQA-WCQYABFASA-N 308.382 -0.022 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CCN(C(=O)CCc2nc[nH]n2)C1 1430833575 YSZQSRLJWLMDKU-MNOVXSKESA-N 304.354 -0.138 30 20 DBED N#Cc1ncn(CC(=O)N2CCC(O[C@@H]3CCOC3)CC2)n1 1434066109 FWSVJQJVPXRQNN-GFCCVEGCSA-N 305.338 -0.054 30 20 DBED N#Cc1cncc(S(=O)(=O)NCCS(=O)(=O)C2CC2)c1 1434580295 SDQJPJGQBDDHBS-UHFFFAOYSA-N 315.376 -0.191 30 20 DBED N#Cc1cn(CCC(=O)N2CCC[C@H](O)CC2)c(=O)nc1O 1468541440 XWMXBKSCTWMVDW-NSHDSACASA-N 306.322 -0.416 30 20 DBED CNC(=O)NCC(=O)N1CCCC[C@H]1CCNC(=O)[C@H](C)C#N 1532583659 VHARNHAMBCICFP-NEPJUHHUSA-N 323.397 -0.038 30 20 DBED COCC#CCN[C@H]1CCN(C(=O)[C@]2(C)CCNC(=O)C2)C1 1567097983 XLWJRBXGGRDVJS-XJKSGUPXSA-N 307.394 -0.257 30 20 DBED N#Cc1ncn(CCNC(=O)NCc2cc(C(=O)O)co2)n1 1571084713 HAXNUQXWMJDPLV-UHFFFAOYSA-N 304.266 -0.060 30 20 DBED C[C@H](C#N)C(=O)NCC1(Nc2ccc(-c3nn[nH]n3)nn2)CC1 1573578028 XJONLURMKLUDBE-MRVPVSSYSA-N 313.325 -0.123 30 20 DBED Cc1onc(CC(=O)NCCOCCOCC(=O)O)c1C#N 1574445953 CFGVFGXHAGVVDY-UHFFFAOYSA-N 311.294 -0.369 30 20 DBED CC[C@H]1NCC[C@H]1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1577304054 IQUYFQAGRTUDJU-SFTQSGBHSA-N 311.407 -0.229 30 20 DBED Cn1nnnc1NC(=O)[C@H](C#N)Cc1ccc(-c2nn[nH]n2)cc1 1581848858 FGVROADFZHMPMY-JTQLQIEISA-N 324.308 -0.289 30 20 DBED N#CC[C@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)C(F)(F)F 1581857721 GSSGKJDCGTUTFH-YFKPBYRVSA-N 315.219 -0.581 30 20 DBED C#C[C@H](CO)NS(=O)(=O)c1cc(F)cc(C(=O)O)c1F 1588370691 LGXSRIDFUCINGL-SSDOTTSWSA-N 305.258 -0.065 30 20 DBED C#CCNC(=O)C1CCN(C(=O)[C@H]2CC[C@@H](C(=O)O)O2)CC1 1588479251 GDTGSXQXQPXVFC-NEPJUHHUSA-N 308.334 -0.393 30 20 DBED C=C(CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)OCC 1588619119 LLCFSLBDTLHQHC-UWVGGRQHSA-N 314.338 -0.020 30 20 DBED CN(C[C@H]1CCN1CC#N)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 1591063322 FCPBFNPJQXHZDG-SNVBAGLBSA-N 300.326 -0.135 30 20 DBED CON=CC(=O)N1CC[C@@H](Oc2ccc(-c3nn[nH]n3)cn2)C1 1591467027 HCMIWTHJNIYVHF-SNVBAGLBSA-N 317.309 -0.126 30 20 DBED Cc1nc(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O)ccc1C#N 1600684918 GXUHIUAMRBKDFT-IUCAKERBSA-N 304.306 -0.031 30 20 DBED C[C@@H](C(=O)N1CCC(C#N)(C(=O)O)CC1)N1CCN(C)CC1 1603139484 FDEQOJIENZEMPC-LBPRGKRZSA-N 308.382 -0.161 30 20 DBED COC(=O)[C@@H]1C[C@H](C(=O)O)CCN1S(=O)(=O)CCCC#N 1606377040 RZIDKVKVTXWEDN-ZJUUUORDSA-N 318.351 -0.042 30 20 DBED Cc1cc(C#N)c(O)nc1C(=O)N1CC(=O)N(C)C[C@@H]1C(=O)O 1607564270 BVQZRQVQEIIFSG-SECBINFHSA-N 318.289 -0.665 30 20 DBED C#CCNC(=O)c1ccc(NCCn2cc(C(=O)O)nn2)nc1 1609162384 YZULQQRVTSRLIM-UHFFFAOYSA-N 314.305 -0.154 30 20 DBED CC(C)(CC#N)CS(=O)(=O)NC[C@@]1(O)CCS(=O)(=O)C1 1647265676 YKPRPFJKSIJFCC-NSHDSACASA-N 324.424 -0.605 30 20 DBED C=CCOCC(=O)NCCN1CCN([C@@H](C)C(=O)NC)CC1 1752363244 MADLSSZHSKLRPT-ZDUSSCGKSA-N 312.414 -0.943 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCCN(C(=O)Cc2cc[nH]n2)C1 1752990962 XPIRVQDIMNIROJ-CQSZACIVSA-N 317.393 -0.376 30 20 DBED C=CCNC(=O)[C@H](C)N1CC(NC(=O)CCCC(=O)NC)C1 1753374565 INYRQKLHVUWHIR-NSHDSACASA-N 310.398 -0.606 30 20 DBED C=CCNC(=O)CN1CC(CNC(=O)[C@@H](C)NC(=O)CC)C1 1753403309 RWGBXKMURFQKNN-LLVKDONJSA-N 310.398 -0.749 30 20 DBED CC(=O)N[C@@H](C)C(=O)NCC1(NCC(=O)NCC#N)CCCC1 1753659930 JTBJBCDFPAGRMR-NSHDSACASA-N 323.397 -0.831 30 20 DBED CCc1cc(C(=O)NC[C@H](O)CNCC#CCOC)n(C)n1 1753932803 WXRABOWYWAGEAJ-CYBMUJFWSA-N 308.382 -0.687 30 20 DBED C=C(Cl)CN1CC[C@@](O)(CNC(=O)[C@H]2CCCNC2=O)C1 1754755709 XYJQWQBALOOTCF-SMDDNHRTSA-N 315.801 -0.182 30 20 DBED N#CCNC(=O)CN1CC(O)(CNC(=O)/C=C\c2ccco2)C1 1754764135 QGUJWFMYWZIRHH-ARJAWSKDSA-N 318.333 -0.905 30 20 DBED C=C[C@@](C)(CCOC)C(=O)NCC1(O)CN([C@@H](C)C(N)=O)C1 1754771007 IXIOCTXHGLLWJE-FZMZJTMJSA-N 313.398 -0.748 30 20 DBED CC#CCCCC(=O)NCC1(O)CN([C@H]2CCCN(C)C2=O)C1 1754772449 IYWXPMMRDDXMES-AWEZNQCLSA-N 321.421 -0.036 30 20 DBED C#CCNC1CCN(CCNC(=O)[C@@H]2CCCN2CC#C)CC1 1754849333 PGVRREXTHJTKSR-KRWDZBQOSA-N 316.449 -0.113 30 20 DBED CC(C)C#CC(=O)N[C@]1(CO)CCCN(Cc2nc(O)n[nH]2)C1 1754854201 OIPCIQSIACPAJC-OAHLLOKOSA-N 321.381 -0.387 30 20 DBED C#CCN1CCC[C@](CO)(NC(=O)c2cn(CCC)nn2)C1 1754859492 YDHIHLWWDCXEHL-HNNXBMFYSA-N 305.382 -0.122 30 20 DBED C#CCNC(=O)CN1CCOC[C@@H]1CNC(=O)CC(F)(F)F 1754964989 DWOHYLTZXSYODU-JTQLQIEISA-N 321.299 -0.495 30 20 DBED COCCOCCN1CC2(C[C@H](NC(=O)[C@@H](C)C#N)CO2)C1 1755060294 ZHDLNEOVHCZCCV-STQMWFEESA-N 311.382 -0.231 30 20 DBED CC(C)C#CC(=O)N1CCC[C@@](CO)(NCC(=O)NC2CC2)C1 1755085080 YKKRWKVSFHYCSM-QGZVFWFLSA-N 321.421 -0.133 30 20 DBED C#CCNCC1(O)CCN(C(=O)c2cnn(CCOC)c2)CC1 1755156750 WAEARMYHXUCQIM-UHFFFAOYSA-N 320.393 -0.281 30 20 DBED C=CCOCC(=O)NCC1[C@@H]2CN(C(=O)C3(C(N)=O)CC3)C[C@@H]12 1756194091 ACWOFEOFNGUSQM-RYUDHWBXSA-N 321.377 -0.725 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@H](CO)CNC(=O)c1cc(F)c[nH]1 1756536875 SAMCSLUVPARZSF-ONGXEEELSA-N 313.329 -0.048 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCN(C(=O)c2cc[nH]n2)[C@@H]1C 1756555769 OZYZAUNMXNJLIM-GHMZBOCLSA-N 317.349 -0.732 30 20 DBED C#Cc1ccc(C(=O)N(C)C[C@@H](O)CNC(=O)COCC)nc1 1756672023 NOYNHYXWUQDVKD-ZDUSSCGKSA-N 319.361 -0.352 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(C(=O)CNC(C)=O)[C@@H]1CC 1757436823 SGVINUVBHINXOB-QWHCGFSZSA-N 311.382 -0.179 30 20 DBED N#CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)no1)C2 1795084349 XTQCDYNAROBUBC-YFKFIEJBSA-N 320.305 -0.503 30 20 DBED C[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc[nH]n1)C2 1800981652 YKFFNCDRAYGXRL-GUDRVLHUSA-N 324.406 -0.069 30 20 DBED N/C(CN1CCOCC1)=N\OCc1nnnn1CC(F)(F)F 191494834 JNIHYTSTUZWOFI-UHFFFAOYSA-N 323.279 -0.644 30 20 DBED C=CCCCCNC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 274439859 DOXQCBDMRQCWBL-UHFFFAOYSA-N 319.365 -0.094 30 20 DBED CN1CC[C@H](N/C(O)=N/C[C@H]2CCCN2S(C)(=O)=O)C1=O 328787698 JPSJXKKNDBXIES-ZJUUUORDSA-N 318.399 -0.855 30 20 DBED CN1C[C@H](/N=C(/O)N2CCC[C@@H]2[C@@H]2COCC[C@H]2O)CC1=O 329674138 VGVJALCDNYQUOO-YVECIDJPSA-N 311.382 -0.007 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1CCNC(=O)C1(C)C 330378554 GCUIZXAINWBTNG-UHFFFAOYSA-N 318.399 -0.696 30 20 DBED C[C@H](CS(C)(=O)=O)/N=C(/O)N1CCN(CC(C)(C)O)CC1 330984659 PKIWRAUVWZIMQY-LLVKDONJSA-N 321.443 -0.278 30 20 DBED CN(C)C(=O)[C@H]1CCC[C@H](NC(=O)Cn2cnc(C#N)n2)C1 331172225 VUFLIFYKCVGHLL-QWRGUYRKSA-N 304.354 -0.087 30 20 DBED C=CCNC(=O)NC(=O)CN1CCc2c(ncn(C)c2=O)C1 332660951 CTRZGAQAXMQZED-UHFFFAOYSA-N 305.338 -0.850 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N2CCOC[C@@H]2C2CC2)CCO1 336887388 GYVLMUWVKZXHOH-VXGBXAGGSA-N 301.368 -0.434 30 20 DBED CCN(CCC#N)S(=O)(=O)N(CCOC)CC(=O)OC 337083727 BXXDQQFLIMFOSR-UHFFFAOYSA-N 307.372 -0.412 30 20 DBED CCOC1CC(N(C)S(=O)(=O)N2CCO[C@@H](C#N)C2)C1 345035173 GLIYHXLISNEGHU-MCIGGMRASA-N 303.384 -0.045 30 20 DBED C=CCNC(=O)CNC(=O)NCCNC(=O)c1cccnc1 346828711 IYOYEHYZWYYVKY-UHFFFAOYSA-N 305.338 -0.587 30 20 DBED C[C@H]1CCN(S(=O)(=O)CCCCS(=O)(=O)NCC#N)C1 349591596 OTQUEGFJYGVDBO-NSHDSACASA-N 323.440 -0.119 30 20 DBED C=CCCC[C@H](C)NC(=O)C(=O)N1CCO[C@@H](C(=O)NC)C1 352316472 UXHNKIOWPNHRJS-NWDGAFQWSA-N 311.382 -0.179 30 20 DBED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC(CO)CO 355757006 UKGKCCNWJDTQGI-UHFFFAOYSA-N 317.349 -0.380 30 20 DBED COC(=O)[C@@H]1CN(C(=O)NCCn2cnc(C#N)n2)C[C@H](C)O1 357816559 NQKJNEWGEQZGOU-UWVGGRQHSA-N 322.325 -0.878 30 20 DBED CN(CCC#N)S(=O)(=O)N1CCC[C@]2(CNC(=O)C2)C1 360751209 RHJKQJFYDNSIBV-LBPRGKRZSA-N 300.384 -0.321 30 20 DBED C=C[C@@H](C)NC(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 362368354 AMJFTDSCHAFCNR-NXEZZACHSA-N 303.384 -0.447 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N1CCSC[C@@H]1C(=O)O 417482291 XLKNEQHAADKJDB-DTWKUNHWSA-N 307.397 -0.033 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CCC[C@H](CCN)C2)nn1 424545980 MHJJJINLGLOCSS-GFCCVEGCSA-N 320.397 -0.332 30 20 DBED CN1C[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CC1=O 443038322 PUVDQYJVVSAZKS-QMMMGPOBSA-N 324.318 -0.025 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CC[C@@H](CC)O2)CC1 491126274 MNHSAMWZAIDJSV-ZIAGYGMSSA-N 307.394 -0.162 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H](CCC(=O)O)C(=O)O 576759410 YFAYSWNTFQWCNX-SFYZADRCSA-N 307.328 -0.770 30 20 DBED COCCN([C@@H](C)C(=O)O)S(=O)(=O)N(C)[C@@H](C)CC#N 580718402 RCIDVIRGFQPGEX-UWVGGRQHSA-N 307.372 -0.113 30 20 DBED N#C[C@]1(F)CCN(C(=O)C(=O)Nc2ccnc(OCCO)c2)C1 595018276 NCABIOFLLABHJB-CQSZACIVSA-N 322.296 -0.145 30 20 DBED CS(=O)(=O)Nc1ccc(C(=O)N2CCN(CC#N)CC2)cn1 599538447 NRFQCMSYHHTOGP-UHFFFAOYSA-N 323.378 -0.266 30 20 DBED CN1CCN(CCCS(=O)(=O)N2CC[C@](F)(C#N)C2)CC1 601400593 UTGAWSTUFUTCPI-ZDUSSCGKSA-N 318.418 -0.109 30 20 DBED C#CCOCCN(C)C(=O)[C@H]1CCCN(S(C)(=O)=O)C1 688078099 CZRQJQYCWSCKLX-LBPRGKRZSA-N 302.396 -0.234 30 20 DBED CN(CCC#N)S(=O)(=O)N1CCSC[C@@H]1CC(=O)O 737412682 UZXVCIYENLTNPW-VIFPVBQESA-N 307.397 -0.031 30 20 DBED COCCN(CCC#N)S(=O)(=O)NN1CCCNC1=O 800122431 GXECEGWPUNVKFF-UHFFFAOYSA-N 305.360 -0.987 30 20 DBED C=CCNC(=O)COC(=O)c1cc(S(N)(=O)=O)cnc1C 815274728 MQIGMGXEVGOQEP-UHFFFAOYSA-N 313.335 -0.504 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)CCc2ccon2)CC1 825974589 BYAZNZNOPTVJEF-UHFFFAOYSA-N 304.350 -0.499 30 20 DBED N#C[C@@H]1CSCCN1C(=O)CCN1C(=O)CCNC1=S 847660252 MJIMJNRUTXNRTP-SECBINFHSA-N 312.420 -0.049 30 20 DBED CCOCCCNC(=O)[C@H](C#N)C(=O)CN1CC(=O)N(C)C1=O 860462338 SQSKZIFUQZZYSR-SNVBAGLBSA-N 324.337 -0.868 30 20 DBED C=CCS(=O)(=O)CCNC(=O)c1cnn(CCN(C)C)c1 867334281 VHLPKOPICIHSAZ-UHFFFAOYSA-N 314.411 -0.225 30 20 DBED C#CCNS(=O)(=O)N1CCN(c2ncnc3[nH]ccc23)CC1 872634012 RXJPDFYSYWSUKN-UHFFFAOYSA-N 320.378 -0.453 30 20 DBED C#CC1(O)CN(C(=O)COCCNC(=O)c2ccccc2)C1 890524966 XHJHGIYFCKUHFZ-UHFFFAOYSA-N 302.330 -0.361 30 20 DBED C#CCN1CCC(C(=O)N[C@@H]2CN(C(C)=O)C[C@H]2OC)CC1 942128918 TXBAWCWFZLEZOR-HUUCEWRRSA-N 307.394 -0.307 30 20 DBED C[C@H]1C[C@@H](NC(=O)CN2CCN(C)C(=O)C2)CCN1CC#N 947463997 PILDMTARYLZQPM-STQMWFEESA-N 307.398 -0.747 30 20 DBED CC#CCN1CCN(C(=O)Cc2c(C)nc(O)nc2O)CC1 952384826 DMHOJNSEKAFEMT-UHFFFAOYSA-N 304.350 -0.094 30 20 DBED CC(C)Oc1cnc(C(=O)NC[C@H]2CN(CC#N)C[C@@H]2O)cn1 958068995 KQCKZBPGIRZMDC-AAEUAGOBSA-N 319.365 -0.190 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](NC(=O)CN2CCCC2=O)[C@H](C)C1 958368318 PIGFAGUDMOIJFP-IJLUTSLNSA-N 306.366 -0.268 30 20 DBED N#CCN1C[C@H]2[C@H](NC(=O)c3coc(S(N)(=O)=O)c3)[C@H]2C1 960625572 YERVUNGYDKWDLW-JZYVYDRUSA-N 310.335 -0.889 30 20 DBED C[C@H](C#N)C(=O)N1CCOC2(CN(C(=O)Cc3cnc[nH]3)C2)C1 965465831 LRTLPWCZJAWODE-LLVKDONJSA-N 317.349 -0.448 30 20 DBED C#CCCN1C[C@H]2CC[C@H]1CN2C(=O)CC[C@@H]1NC(=O)NC1=O 972091655 PSSOANCBBMAKPX-XQQFMLRXSA-N 318.377 -0.327 30 20 DBED C#CCN1C[C@H](NC(=O)[C@H]2COCCN2C(C)=O)C(C)(C)C1 977608980 BRVRVJTZBUWYTN-KGLIPLIRSA-N 307.394 -0.307 30 20 DBED C=CCCn1cc(C(=O)N(C)C[C@@H]2CCN2C(=O)C(N)=O)nn1 977775664 PBKXQUCBRDXCBR-JTQLQIEISA-N 320.353 -0.988 30 20 DBED C#CCN1C[C@H]2C(CNC(=O)c3ccnc4nc(C)nn34)[C@@H]2C1 978942886 SVUOSNBDQXBSOE-STQMWFEESA-N 310.361 -0.026 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCCN(Cc3nnnn3C)C2)C1 981670107 JYONDWSZFPOYTB-LLVKDONJSA-N 303.370 -0.206 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@H](CNC(=O)c3nc[nH]n3)C2)[nH]1 982661742 NKNMMYBCTYTKAK-SECBINFHSA-N 313.321 -0.103 30 20 DBED N#Cc1ccc(C(=O)NC2CN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C2)[nH]1 990869189 URRRNISISZLHMA-PJXYFTJBSA-N 300.318 -0.281 30 20 DBED C#Cc1cncc(C(=O)N2CC(NC(=O)c3cnn(CC)n3)C2)c1 991199778 NVCJTRWSRRYNMQ-UHFFFAOYSA-N 324.344 -0.071 30 20 DBED C=CCN1CCC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@@H]1C 993332316 AYDMVVYXZGJWMS-QWRGUYRKSA-N 306.370 -0.468 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)C[C@H]2CCC(=O)N2)C1 995392228 SGSYZMMRRFAFHC-RTXFEEFZSA-N 321.377 -0.427 30 20 DBED CCC(=O)N1CCN(C(=O)C#CC2CC2)[C@H]2CS(=O)(=O)C[C@H]21 995421842 UKHBIMZVKYKIAL-OLZOCXBDSA-N 324.402 -0.354 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@@H]2COCCN2C(C)=O)CC1(C)C 996640749 BOTVGBSINGCMMH-UONOGXRCSA-N 307.394 -0.307 30 20 DBED O=C(Cn1ncnn1)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C#CC1CC1 1002927677 RDLRCWLXBOHELR-UPJWGTAASA-N 314.349 -0.665 30 20 DBED CC#CCN1CCC(NC(=O)[C@@H]2COCCN2C(C)=O)CC1 1004177455 YWPNYOZAUMRJQL-HNNXBMFYSA-N 307.394 -0.162 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCCN([C@@H](C)C(N)=O)C2)nn1 1008792679 GPXBFULSGUQHJU-WDEREUQCSA-N 306.370 -0.468 30 20 DBED O=C(C#CC1CC1)N1CCN(C(=O)C2CS(=O)(=O)C2)CC1 1011109361 BAXILPALGKVDNI-UHFFFAOYSA-N 310.375 -0.885 30 20 DBED CC#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)c1cn(C)c(=O)nc1O 1018264453 WHLUTQBFRBHRRN-TXEJJXNPSA-N 316.361 -0.202 30 20 DBED C=C(C)CN1CCN(C(=O)[C@H]2CCCN(C(=O)C(N)=O)C2)CC1 1018372597 RYKNLWWSGDBGHW-ZDUSSCGKSA-N 322.409 -0.569 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)COC)[C@@H]2C1 1020931601 SVSOUCRXLWZAQE-SOUVJXGZSA-N 319.405 -0.210 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H](CNCc2nc(=O)n(C)[nH]2)C1 1023892981 COBXGJRDQFBWPE-WDEREUQCSA-N 306.370 -0.404 30 20 DBED O=C(Cc1cnoc1)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1025180126 AOMXBYBBJAQNFF-CHWSQXEVSA-N 303.318 -0.682 30 20 DBED Cn1nc(C(=O)N2C[C@@H]3[C@@H](CC[C@H]3NCC#N)C2)ccc1=O 1026413877 JHUDNUBOEOKQJQ-QJPTWQEYSA-N 301.350 -0.256 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)c3nccnc3N)C2)C1=O 1030169480 QZFPGICEUQRVJD-NSHDSACASA-N 316.365 -0.740 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)c3cnnc(C)c3)C2)C1=O 1030252010 ILGVECRNFAYCNX-AWEZNQCLSA-N 315.377 -0.014 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)c3ccncn3)C2)C1=O 1031124819 RSMMIKNGQLFVCR-ZDUSSCGKSA-N 301.350 -0.323 30 20 DBED N#CCN1C[C@@H]2C[C@H]1CN2C(=O)Cn1nnc2c1CCCC2 1032631171 IDDUERQTDGHDPB-RYUDHWBXSA-N 300.366 -0.034 30 20 DBED CN(C(=O)[C@@H]1CCc2nnnn2CC1)[C@H]1CCN(CC#N)C1 1033435463 BNSRBJHJJFOHMQ-NEPJUHHUSA-N 303.370 -0.318 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)c2ccc3c(n2)OCCO3)C1 1035432582 KYCLDWJIGHRDAH-LBPRGKRZSA-N 317.345 -0.083 30 20 DBED C=CCN1CC[C@H](N2CC3(CCN(C(=O)C(N)=O)CC3)C2)C1=O 1035781068 NRUORRLFPKRFJG-LBPRGKRZSA-N 320.393 -0.817 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3C[C@H]2N(CC(=O)NC2CC2)C3)c1 1037352926 GZCKPIWDVYTALS-PSOPSSQASA-N 313.361 -0.033 30 20 DBED C=C(Cl)CN1C[C@H]2C[C@H]1[C@@H]2NC(=O)CN1CCOCC1=O 1037441774 JYNYAPQTFFVYIB-UHIISALHSA-N 313.785 -0.213 30 20 DBED C=CCn1cc(C(=O)N[C@H]2[C@H]3C[C@H]2N(Cc2cnon2)C3)nn1 1037622557 ZDIGCJOGROPXSY-BIMULSAOSA-N 315.337 -0.150 30 20 DBED C#CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)c1c(OC)ncnc1OC 1037747950 HQBWSCPPMFPXAQ-SCVCMEIPSA-N 302.334 -0.071 30 20 DBED C#CCCCC(=O)NC[C@@]1(O)CCN(C(=O)[C@H]2CCCN2C)C1 1039574503 ULNHCWYLPWOUQX-PBHICJAKSA-N 321.421 -0.036 30 20 DBED C#CCOCCC(=O)NC[C@]1(O)CCN(C(=O)CCCF)C1 1039722429 WBJYUOWRZUONGW-OAHLLOKOSA-N 314.357 -0.144 30 20 DBED C=CCCCC(=O)N1CC[C@@](O)(CNC(=O)c2cnn(C)n2)C1 1040303666 XOPILKMIFKRUIQ-OAHLLOKOSA-N 321.381 -0.135 30 20 DBED Cn1cnc(C(=O)N2CC[C@H]3CN(c4nccnc4C#N)C[C@H]32)n1 1040603809 SUDLAWYSZPRXSF-CMPLNLGQSA-N 324.348 -0.172 30 20 DBED C[C@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)CN2CCCC2)C1 1040766064 MLXJAXIRMKBISB-IUODEOHRSA-N 308.382 -0.679 30 20 DBED N#Cc1nccc(N2C[C@@H](O)[C@H](NC(=O)c3cscn3)C2)n1 1040944675 NRPBZURGHOXOSD-PSASIEDQSA-N 316.346 -0.216 30 20 DBED C=CCCCC(=O)N1CC(O)(CNC(=O)CCn2cncn2)C1 1041524908 XAAFDYWORZBRHT-UHFFFAOYSA-N 321.381 -0.286 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)CCc2nc(C)no2)C1 1041973391 YCZGTRQFBQLHMN-UHFFFAOYSA-N 322.365 -0.034 30 20 DBED CN(C(=O)Cn1cnnn1)C1CN(Cc2ccccc2C#N)C1 1042460690 WTUAXPNAXKJRIY-UHFFFAOYSA-N 311.349 -0.112 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)c2n[nH]c3c2CCC3)C1 1043808806 WFMYWFJCCMCWRM-SECBINFHSA-N 317.349 -0.639 30 20 DBED N#Cc1cncc(N2C[C@H](O)[C@H](NC(=O)c3cncs3)C2)n1 1043871445 CFQBXSVYBSJSKS-ZJUUUORDSA-N 316.346 -0.216 30 20 DBED Cc1nocc1C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1044473210 ASIAFXHAXDBXLE-MNOVXSKESA-N 314.305 -0.376 30 20 DBED CO[C@@H](C(=O)N1CC(O)(CNC(=O)[C@@H](C)C#N)C1)C1CCC1 1045560322 UULADZUEZFCHEQ-CMPLNLGQSA-N 309.366 -0.349 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)CC[C@H]2CCCN2C)C1 1045565459 XUGFHMCAQPHSID-QWHCGFSZSA-N 322.409 -0.290 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC(=O)N2C)C1 1047484319 RVGIKWQLCNBBAX-SRVKXCTJSA-N 315.801 -0.137 30 20 DBED Cc1nnc2n1C[C@H](C(=O)N(C)[C@H]1CN(CC#N)C[C@@H]1O)CC2 1047638177 FNYSHPSYTTWRMK-AGIUHOORSA-N 318.381 -0.824 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)N2CCCCC2=O)C1 1047639130 MOSPPESFRJIPBE-IHRRRGAJSA-N 307.394 -0.476 30 20 DBED C=CCO[C@H](C)C(=O)N(C)[C@H]1CN(C(=O)COC)C[C@@H]1O 1049011644 YVWJTDGGWKGAIV-WOPDTQHZSA-N 300.355 -0.746 30 20 DBED CC#CCN1C[C@H]2CN(C(=O)[C@@H]3CCS(=O)(=O)N3)C[C@H]2C1 1049220080 HYNYNVNMCXVDMM-XQQFMLRXSA-N 311.407 -0.908 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C(=O)NCC2CC2)C1 1049327316 PZFKGIABOCZJQA-STQMWFEESA-N 323.393 -0.491 30 20 DBED Cn1cc(C(=O)N2CCC[C@@H]3[C@@H]2CCN3CC#N)c(O)nc1=O 1049883814 CJBCAKADBSVKHV-NEPJUHHUSA-N 317.349 -0.312 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)[C@@H]1CN(C(C)=O)CCO1)C2 1050746357 YHBQZDSTQTUDHQ-HNNXBMFYSA-N 319.405 -0.209 30 20 DBED CC#CCN1CCOC[C@@H]1CNC(=O)c1nccnc1C(N)=O 1051237286 OYYKCXNBZYGHKD-NSHDSACASA-N 317.349 -0.971 30 20 DBED N#Cc1cc(C(=O)N2CCO[C@@H](CNCc3cnon3)C2)c[nH]1 1051564134 XXEAPELIHHZVQC-ZDUSSCGKSA-N 316.321 -0.100 30 20 DBED C=CCN1CCN([C@@H]2CCN(C(=O)Cn3nccn3)C2)CC1 1052033650 ROIOHUMKMQOSRM-CQSZACIVSA-N 304.398 -0.317 30 20 DBED C#CCN1CCC[C@@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)CC1 1052913451 JMFUDBUAZXPDTM-GFCCVEGCSA-N 320.393 -0.079 30 20 DBED N#Cc1ccccc1CN1CC2(C1)CN(C(=O)C(N)=O)CCO2 1053404728 TUFUCJONNPLIFX-UHFFFAOYSA-N 314.345 -0.543 30 20 DBED C#CCN1CC2(CC[C@@H](CNC(=O)c3ccc(C(N)=O)[nH]3)O2)C1 1053660472 KTGLUJJNHACJJZ-NSHDSACASA-N 316.361 -0.290 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)CN3CCOCC3)CO2)C1 1053781345 JDYKTUZHEWMERB-AWEZNQCLSA-N 307.394 -0.699 30 20 DBED Cc1ncc(C(=O)N[C@@]2(CO)CCCN(C(=O)[C@@H](C)C#N)C2)[nH]1 1055835123 HCTOKAQRSWCTKX-BONVTDFDSA-N 319.365 -0.039 30 20 DBED CCC(=O)NCC(=O)N1CCC[C@@](CO)(NC(=O)[C@@H](C)C#N)C1 1056092943 FQHOYPQKLCPGBC-XHDPSFHLSA-N 324.381 -0.858 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCCN(CCO)C(=O)CCOC 1056738310 WHEDSRKDTTWMSB-OLZOCXBDSA-N 314.382 -0.449 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)c1cnsn1 1057086969 IASMCNDTTYXZQC-UHFFFAOYSA-N 310.379 -0.108 30 20 DBED N#Cc1cnc(N[C@H]2CCCN(C(=O)[C@H]3CCNC3=O)C2)cn1 1057724986 PZGHEKFUAJTUEB-JQWIXIFHSA-N 314.349 -0.113 30 20 DBED CN1CC[C@H](C(=O)N[C@H]2C[C@H](Nc3ccc(C#N)nn3)C2)C1=O 1059377082 OSWZFJLRQMPDBO-IJLUTSLNSA-N 314.349 -0.114 30 20 DBED CN1C[C@@H](C(=O)N[C@H]2C[C@H](N=c3cc[nH]cc3C#N)C2)CC1=O 1059446394 UICVOFPACRCLPW-DRZSPHRISA-N 313.361 -0.087 30 20 DBED N#Cc1nccnc1NC[C@@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 1060865327 PCAADRZTBWTFOE-ONGXEEELSA-N 316.321 -0.283 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCOC[C@H]1CNC(=O)C#CC1CC1 1061571637 DYTXLTTVKYQPQY-DZGCQCFKSA-N 318.373 -0.218 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)CN1CCCC1 1061598996 JKKOHZYZMDFBIO-QWHCGFSZSA-N 308.382 -0.415 30 20 DBED CC(C)C#CC(=O)N1CCCC[C@@H]1CNC(=O)c1nnn(C)n1 1062199595 VIFPSAPICKSDAA-GFCCVEGCSA-N 318.381 -0.020 30 20 DBED C#CCCCC(=O)NCC1(NC(=O)Cn2cnnc2O)CCC1 1062860389 DYKGBXNLQRNYJG-UHFFFAOYSA-N 319.365 -0.058 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)CCn2cncn2)CCO1 1064863200 RLBKLADKTYNRAQ-ZDUSSCGKSA-N 321.381 -0.022 30 20 DBED C=CC(C)(C)CC(=O)NC[C@H]1CN(C(=O)CC(N)=O)CCO1 1064998842 MOUMZFVNUZJSMJ-NSHDSACASA-N 311.382 -0.192 30 20 DBED C#CCCCC(=O)N1CCO[C@@H](CNC(=O)C(C)(C)C(N)=O)C1 1065096252 ZRJFDDXNQPNSNG-LBPRGKRZSA-N 323.393 -0.355 30 20 DBED CC(C)[C@@H](O)C(=O)N1CCO[C@H](CNC(=O)C#CC2CC2)C1 1065113883 RYYBSYZGPJQHDJ-UKRRQHHQSA-N 308.378 -0.240 30 20 DBED C[C@@]1(NC(=O)[C@H]2CNC(=O)N2)CCN(c2ccc(C#N)cn2)C1 1065327069 UCUMVPNTDSOXOC-IAQYHMDHSA-N 314.349 -0.280 30 20 DBED C#CCCCC(=O)N1CCC[C@H](NC(=O)Cn2cnnn2)CC1 1065830638 HNJSKJJSXCPMNJ-ZDUSSCGKSA-N 318.381 -0.026 30 20 DBED Cc1cc(C#N)nc(NC[C@H]2CN(C(=O)C(N)=O)C[C@H]2C)n1 1065899974 GUQPKMBLDRSFBO-SCZZXKLOSA-N 302.338 -0.352 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@@H](NC(=O)[C@@H](C)C#N)CC1 1066476117 VQTVKWXTNQOUKI-QWHCGFSZSA-N 318.377 -0.217 30 20 DBED CCc1nc(C#N)cc(N(C)C[C@@H]2CCCN2C(=O)C(N)=O)n1 1067793131 FRHSODPQHSLDKJ-NSHDSACASA-N 316.365 -0.177 30 20 DBED N#Cc1nc(=NC[C@H]2C[C@H](NC(=O)C3=COCCO3)C2)cc[nH]1 1068437264 HKYMJOCGSWNILU-XYPYZODXSA-N 315.333 -0.035 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H]2CCC(=O)N2C)C1 1069997798 WSIDKTWIYBLVJI-AGIUHOORSA-N 318.381 -0.574 30 20 DBED CC#CCN1CCNC(=O)CCN(C(=O)c2n[nH]cc2F)CC1 1070997626 RVLQTPPNNIBARP-UHFFFAOYSA-N 321.356 -0.164 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(C(=O)COCC)C[C@H]1C 1071529478 JIULSSUOVAYPGE-VXGBXAGGSA-N 309.366 -0.875 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CN(C(=O)CCCOC)C[C@@H]1C 1071700976 ZSAQHCOZGDUOPQ-STQMWFEESA-N 323.393 -0.484 30 20 DBED C=CCOCC(=O)N1C[C@@H](C)[C@@H](NC(=O)CNC(=O)OC)C1 1071807896 CAASZQJNUYPWSR-MNOVXSKESA-N 313.354 -0.492 30 20 DBED C=C(C)CCC(=O)N1C[C@H](C)[C@@H](NC(=O)Cn2ncnn2)C1 1072222575 MJVPLLLEXZYAIO-RYUDHWBXSA-N 306.370 -0.008 30 20 DBED C=CC(C)(C)C(=O)N[C@H]1CN(C(=O)c2nnn(C)n2)C[C@@H]1C 1072535342 VZYPBLMHDAWJKN-UWVGGRQHSA-N 306.370 -0.001 30 20 DBED C[C@@H](C#N)C(=O)NC1(C)CCN(C(=O)[C@@H]2CCNC2=O)CC1 1073182141 MJAGFVIFCDZXIN-WDEREUQCSA-N 306.366 -0.221 30 20 DBED C=CCOCC(=O)N1CCC(O)(CNC(=O)[C@H](C)OC)CC1 1074515389 BCRPKITZAQVCMY-LBPRGKRZSA-N 314.382 -0.306 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(O)(CNC(=O)Cn2cccn2)CC1 1074703362 CCIZMAZMONVLOM-LBPRGKRZSA-N 319.365 -0.488 30 20 DBED COCC(=O)N[C@@H](C)C(=O)NCC[C@H](C)NC(=O)C#CC1CC1 1076882969 LOGOYLILFHOCAA-RYUDHWBXSA-N 323.393 -0.438 30 20 DBED C[C@H](C(=O)N[C@@H]1CN(CC#N)C[C@H]1O)n1nnnc1C(C)(C)C 1077110528 WOICXFIBCRWTIV-GMTAPVOTSA-N 321.385 -0.784 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2cc3c(cn2)OCCO3)C1 1077149509 KWIWPHHEIBDWFU-VXGBXAGGSA-N 303.318 -0.739 30 20 DBED C#CCNC(=O)CC(=O)N(C)[C@H]1CCCN(C(=O)COC)CC1 1078921897 YYHGTBZJUGQYFG-ZDUSSCGKSA-N 323.393 -0.388 30 20 DBED CCNC(=O)CC(=O)N1CCC(CO)(NC(=O)[C@@H](C)C#N)CC1 1080980058 IOKLFSPFSPZFMW-NSHDSACASA-N 324.381 -0.858 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)Cc2ccoc2)C[C@H]1O 1081347193 RXBCEHYVCMXLDT-ZIAGYGMSSA-N 322.361 -0.040 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cnn(CC)n2)C1 1081453687 XEEKVWDBGPYRAK-YPMHNXCESA-N 321.381 -0.187 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)c2n[nH]cc2F)C[C@@H]1O 1081465452 HJPXUVTUYSCVHI-JQWIXIFHSA-N 322.340 -0.243 30 20 DBED C=CCCCC(=O)N1C[C@H](CNC(=O)Cn2cncn2)[C@@H](O)C1 1081787316 DOPVYRZCHMNFBF-STQMWFEESA-N 321.381 -0.430 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)Cc1ccc(O)nc1 1083146605 SRZJIINYOXQVTB-QWHCGFSZSA-N 302.334 -0.235 30 20 DBED C=C(C)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CCN(C)C1=O 1083167396 NRDSQFUWNFWYEB-HZSPNIEDSA-N 307.394 -0.048 30 20 DBED CC(C)Cn1[nH]c(CC(=O)N[C@@H]2CN(CC#N)C[C@@H]2O)cc1=O 1083612220 HWAORIRTSQWNJN-OLZOCXBDSA-N 321.381 -0.940 30 20 DBED NC(=O)C(=O)N[C@@H]1CN(CC#Cc2ccc(Cl)cc2)C[C@@H]1O 1083743706 DDIYVAZIGFFUOZ-OLZOCXBDSA-N 321.764 -0.662 30 20 DBED C#CCN1CC[C@H]1CN(C)C(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1 1085818039 OMEXSTDZUKMQJE-MELADBBJSA-N 307.394 -0.212 30 20 DBED C#CCCN1C[C@H]2CC[C@H]1[C@@H]1CN(C(=O)Cn3ncnn3)C[C@H]21 1087358150 CEODFJLYKXMKFA-TUVASFSCSA-N 314.393 -0.135 30 20 DBED C#CCN1CC[C@H](NC(=O)[C@H]2CCN(C)S2(=O)=O)[C@H]1CC 1087758330 OMDSIMWRQTVTCY-YNEHKIRRSA-N 313.423 -0.377 30 20 DBED CCN(c1ccnc(C#N)n1)[C@H](C)CNC(=O)[C@@H]1CCNC1=O 1089722528 BXNFUORHGZJHKU-GHMZBOCLSA-N 316.365 -0.185 30 20 DBED C=CCN1C[C@H](NC(=O)Cn2ncnn2)CC2(CCOCC2)C1 1089939454 RPTAOKKQPXQTFZ-CYBMUJFWSA-N 320.397 -0.154 30 20 DBED C#CCN1C[C@H](NC(=O)[C@@H]2CCNC2=O)CC2(CCOCC2)C1 1089947281 BDLHCFZKYWSWSG-ZIAGYGMSSA-N 319.405 -0.257 30 20 DBED CC(=O)N[C@H](C)C(=O)N1CC[C@H](N=c2cc[nH]c(C#N)n2)[C@@H]1C 1090196531 MFLTZUGVMAIVIV-SCVCMEIPSA-N 316.365 -0.304 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)C2CS(=O)(=O)C2)[C@H](O)C1 1090292692 PEOSFIHBESGUBC-VXGBXAGGSA-N 302.396 -0.842 30 20 DBED CCOCC(=O)N[C@@H]1CN(c2nc(C)ccc2C#N)C[C@H]1O 1090365050 GUHMOTHDLWARRW-CHWSQXEVSA-N 304.350 -0.036 30 20 DBED CO[C@H](C)CC(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1O 1090395395 NXEWLEWUFWMUFJ-YUSALJHKSA-N 305.338 -0.561 30 20 DBED N#CCN1CC[C@H](NC(=O)c2cn(CC3CC3)nn2)[C@@H](O)C1 1090682280 JYRCJTCWVWIKDY-AAEUAGOBSA-N 304.354 -0.623 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2c3c(nn2C)CCC3)[C@@H](O)C1 1090724318 IKCDZCZLKVHCAY-KGLIPLIRSA-N 302.378 -0.293 30 20 DBED CC(C)[C@@H](O)C(=O)N[C@@H]1CN(c2ncc(C#N)cc2F)C[C@@H]1O 1091092121 YTLLCBOPNAXTEQ-FRRDWIJNSA-N 322.340 -0.225 30 20 DBED C[C@@]1(CNC(=O)CC(N)=O)CN(c2ccncc2C#N)CCO1 1092734985 DBTGBNOKGJFMJO-OAHLLOKOSA-N 317.349 -0.460 30 20 DBED Cc1nsc(NCCNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)c1C#N 1094136316 FNYIORBDOPGCPG-VHSXEESVSA-N 323.378 -0.116 30 20 DBED C#CCCN1CC(N2C[C@H](NC(=O)c3cnon3)CC2=O)C1 1094799641 NQLFKKWEQCAOLS-SNVBAGLBSA-N 303.322 -0.892 30 20 DBED N#Cc1nc(=N[C@@H]2CCN(C(=O)C(=O)NCC(F)F)C2)cc[nH]1 1095070483 IGKSLRJFOAXMQI-MRVPVSSYSA-N 324.291 -0.836 30 20 DBED C=CCOCC(=O)NC1CCN(c2nccn3nnnc23)CC1 1095402134 BOOVHFDAAWWACA-UHFFFAOYSA-N 317.353 -0.193 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H]1Cc2cncn2C(=O)N1 1097573762 MKDSNCIGQSOTES-ZZVYKPCYSA-N 313.361 -0.280 30 20 DBED Cc1cc(C#N)nc(N[C@@H](C)CNC(=O)[C@@H]2CN(C)CCO2)n1 1097768126 GRYINTMDPHRGSD-AAEUAGOBSA-N 318.381 -0.096 30 20 DBED CCn1nncc1C(=O)NC[C@@H](C)N=c1cc[nH]c(C#N)n1 1097810391 NQNCWSXWOFCHIS-SECBINFHSA-N 300.326 -0.388 30 20 DBED C=CCNC(=O)CNCc1cn([C@H]2CCN(C(=O)CC)C2)nn1 1098587859 AVHAWMQMXKPMDZ-ZDUSSCGKSA-N 320.397 -0.147 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)Cn2cc(C)cn2)[C@@H](O)C1 1099712963 RYTKDXZMUVCMEO-CABCVRRESA-N 320.393 -0.607 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2csnn2)[C@H](O)C1 1099935903 WVSHPKFMUVMDEM-CMPLNLGQSA-N 310.379 -0.647 30 20 DBED CC#CCCCC(=O)N[C@H]1CCN(CC(=O)N2CCC2)C[C@H]1O 1099960154 OVQPWNBTOLRMAD-LSDHHAIUSA-N 321.421 -0.036 30 20 DBED C#CCCN1CC[C@@H](NC(=O)COc2cnn(C)c2)[C@@H](O)C1 1099971228 CYYJBHCFUGGBOJ-KGLIPLIRSA-N 306.366 -0.626 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CCN2CCOCC2)[C@H](O)C1 1100036778 MWYPVFJUTGNZSO-HUUCEWRRSA-N 309.410 -0.717 30 20 DBED C#CCCN1CC[C@H](NC(=O)CCc2cncn2C)[C@@H](O)C1 1100094886 UNOFKKIPGSJDGH-GJZGRUSLSA-N 304.394 -0.073 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CCCCC(=O)NC)[C@H](O)C1 1100139632 UTSTTXYRMUTZOM-ZIAGYGMSSA-N 309.410 -0.133 30 20 DBED C=CCNC(=O)CNC1CC(CNC(=O)Cc2cncnc2)C1 1100289709 PNYYIGQEQGYQCI-UHFFFAOYSA-N 317.393 -0.194 30 20 DBED CCN(CCNC(=O)[C@@H]1CNC(=O)N1)c1ccc(C#N)c(C)n1 1100698868 PESPKRXJWDSYKM-LBPRGKRZSA-N 316.365 -0.114 30 20 DBED CCc1oncc1C(=O)NCC1CC(NCC(=O)NCC#N)C1 1100715031 BCHLIZOWAQEUCG-UHFFFAOYSA-N 319.365 -0.025 30 20 DBED C[C@]12CN(C(=O)CSCC#N)C[C@H]1CN([C@H]1CCNC1=O)C2 1101135333 NCYZGGJTSNBQBD-XUJVJEKNSA-N 322.434 -0.088 30 20 DBED CN(CCNc1cncc(C#N)n1)C(=O)[C@H]1CCNC(=O)C1 1101548236 JIDABFNDFMWBCH-JTQLQIEISA-N 302.338 -0.255 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)[C@H]2CCCO2)C1 1101698472 HVWCQLKWYSLGMT-MGPQQGTHSA-N 307.394 -0.401 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(Cc2nc(=O)n(C)[nH]2)C[C@H]1C 1101817061 YOBVASZBDNIZFB-VXGBXAGGSA-N 323.397 -0.505 30 20 DBED CC(=O)N1CCOC[C@H]1C(=O)NCC[C@@H]1CN(CC#N)C[C@H]1C 1103739227 WVTWXSCIBIZNOX-YUELXQCFSA-N 322.409 -0.169 30 20 DBED C[C@@H](CNC(=O)[C@H]1COC(=O)N1)CNc1cncc(C#N)n1 1103944986 IAYLRIBECQBSRH-PSASIEDQSA-N 304.310 -0.379 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)C23CCN(CC2)C3)nn1 1105917723 NTOIARYUQCTNKH-LBPRGKRZSA-N 316.365 -0.667 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H](O)CNC(=O)CCn1ccnc1 1106037382 BPQXFLMZVVHTGS-CYBMUJFWSA-N 314.349 -0.449 30 20 DBED CN1CCCC[C@H]1C(=O)NC[C@@H](O)CNc1cnc(C#N)cn1 1106059693 HGHIQLXFMHPNIN-STQMWFEESA-N 318.381 -0.278 30 20 DBED C[C@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)c1cn(C)nn1 1106317113 QGIYHAJXQTWJSI-SECBINFHSA-N 300.326 -0.481 30 20 DBED CCN(CCNc1nccnc1C#N)C(=O)Cn1cnnn1 1106680118 ZVXYESBIDPDFSI-UHFFFAOYSA-N 301.314 -0.705 30 20 DBED C[C@@H]1CN(C(=O)[C@@H](C)CS(C)(=O)=O)C[C@H]1CNCC#N 1107047996 BNALDZYKKHFJSP-GRYCIOLGSA-N 301.412 -0.125 30 20 DBED C#CCN1CC(n2cc(CNC(=O)[C@@H](C(C)C)N(C)C)nn2)C1 1107206911 SWDKBPMEMRUEIZ-OAHLLOKOSA-N 318.425 -0.030 30 20 DBED C#CCNC(=O)CN1CCO[C@@](C)(CNC(=O)[C@@H]2CCCO2)C1 1107720941 SNRANMQOHMSNEI-BBRMVZONSA-N 323.393 -0.878 30 20 DBED C[C@H](C#N)C(=O)NC[C@]1(C)CN(Cc2ncnn2C)CCO1 1107821739 UQZRKSXBLVCRQS-BXUZGUMPSA-N 306.370 -0.318 30 20 DBED C[C@H](CNc1ccc(C#N)nc1)NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 1108105549 MBODPURLYGTFIJ-JIMOISOXSA-N 317.349 -0.097 30 20 DBED Cc1ncnc(O)c1C(=O)NC[C@@]1(C)CN(CC#N)CCO1 1108154241 YKUUSHOOLNKPRG-AWEZNQCLSA-N 305.338 -0.165 30 20 DBED CC#CCN1CC(N2C[C@H](NC(=O)[C@@H](OC)C3CC3)CC2=O)C1 1108539270 ZMVSYXYSPBBVPS-CJNGLKHVSA-N 319.405 -0.164 30 20 DBED C[C@@H](CNc1ccc(C#N)nn1)NC(=O)CCS(C)(=O)=O 1108773647 IDUSMUQGEYKUST-VIFPVBQESA-N 311.367 -0.300 30 20 DBED C[C@@H](CN(C)c1ccc(C#N)nn1)NC(=O)CCn1cncn1 1108826348 XADFAPZTLMVRKN-NSHDSACASA-N 314.353 -0.029 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H]1CCCN1C 1109067873 KQFZKZCUXWBEFL-CBBWQLFWSA-N 318.421 -0.449 30 20 DBED COC[C@@H](OC)C(=O)N[C@@H](C)CN(C)c1cnc(C#N)cn1 1109221755 ZGTCFLUZNFHEQL-CMPLNLGQSA-N 307.354 -0.049 30 20 DBED Cn1nnc(C(=O)N[C@@H](CNc2cnc(C#N)cn2)C2CC2)n1 1109966786 DMBXPEIUMUBPTC-JTQLQIEISA-N 313.325 -0.508 30 20 DBED C[C@H](C(=O)NCC1(Nc2cnc(C#N)cn2)CC1)S(C)(=O)=O 1110389668 CLSIZUIXIQYIBQ-SECBINFHSA-N 323.378 -0.158 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@]1(C)CCNC1=O 1111016669 QLKSZWGNMQDXQV-VWPFQQQWSA-N 319.405 -0.116 30 20 DBED CCCOCC(=O)NC[C@]1(O)CCN(c2cncc(C#N)n2)C1 1111038074 RDZDAQWKZQFGRU-OAHLLOKOSA-N 319.365 -0.168 30 20 DBED N#Cc1cnc(N2CC[C@@](O)(CNC(=O)c3cnon3)C2)cn1 1111091134 KIPVWOMDWRZFLA-CYBMUJFWSA-N 315.293 -0.898 30 20 DBED N#Cc1nccnc1NC1(CNC(=O)CNC(N)=O)CCC1 1111762163 DXHWPQDUWCYIPD-UHFFFAOYSA-N 303.326 -0.533 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)c2cc[n+]([O-])cc2)CC1 1112601126 DQOPCDDBKFYRCM-ZDUSSCGKSA-N 316.361 -0.784 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)[C@H](C)n2cncn2)CC1 1112770624 SKTQIFBIBHEHRF-STQMWFEESA-N 318.381 -0.879 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)Cn2ccnc2C)CC1 1113634835 YDACPRQIAITZMN-CYBMUJFWSA-N 317.393 -0.526 30 20 DBED C=CCOCC(=O)N[C@H]1[C@@H]2CN([C@H]3CCC(=O)NC3=O)C[C@@H]21 1114047786 MXXGQGLZEBNVLR-BBGACYKPSA-N 307.350 -0.959 30 20 DBED C=CCN1CC[C@H](N2C[C@@H]3C(NC(=O)CC(C)(C)O)[C@H]3C2)C1=O 1114213251 XPGHNKQRSXCTKA-AVGNSLFASA-N 321.421 -0.019 30 20 DBED C#CCOCCC(=O)NC1[C@@H]2CN(CCN3CCCC3=O)C[C@@H]12 1114262976 NGCUPJRHVDTDSN-ZIAGYGMSSA-N 319.405 -0.305 30 20 DBED CCC[C@H](OC)C(=O)NC1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]12 1114669086 OJFQADYLVYZMNC-UTUOFQBUSA-N 308.382 -0.512 30 20 DBED CNC(=O)NCC(=O)N[C@H]1C[C@H](CNc2ccc(C#N)nn2)C1 1114820769 HAHGCZGNPWRSLR-HOMQSWHASA-N 317.353 -0.416 30 20 DBED C=CCn1cc(C(=O)NC2[C@H]3CN(CCOCCO)C[C@H]23)nn1 1114941553 CNFPOKNRDHBDHM-RYUDHWBXSA-N 321.381 -0.867 30 20 DBED COCCCNC(=O)CCC(=O)NC1[C@H]2CN(CC#N)C[C@H]12 1115102994 BWQNJVMBMJLSLH-RYUDHWBXSA-N 308.382 -0.511 30 20 DBED C#CCNC(=O)C1CCN(Cn2nc(COC)oc2=O)CC1 1116944359 JJYVRMFJVVMNNE-UHFFFAOYSA-N 308.338 -0.598 30 20 DBED Cc1cc(C(=O)NC[C@@H](CO)Nc2cnc(C#N)cn2)nn1C 1121150512 MNPAPARSAQKSHM-NSHDSACASA-N 315.337 -0.407 30 20 DBED COC1(CC(=O)NC[C@@H](CO)N=c2cc[nH]c(C#N)n2)CCC1 1121364393 DAGKZTRQAZXYFJ-NSHDSACASA-N 319.365 -0.382 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@H](CO)N=c1cc[nH]cc1C#N 1121405118 KWUFFTAGSNWYOM-SWLSCSKDSA-N 304.350 -0.409 30 20 DBED CC(C)N(C)CC(=O)NC[C@H](CO)N=c1cc[nH]cc1C#N 1121668579 HOISKKDDTBPZMZ-CYBMUJFWSA-N 305.382 -0.396 30 20 DBED Cn1c(C(=O)NC[C@H](CO)Nc2ccc(C#N)cn2)cnc1O 1122303340 KTAZJDTXRQNDLH-SNVBAGLBSA-N 316.321 -0.405 30 20 DBED N#Cc1cnc(N[C@H](CO)CNC(=O)[C@@H]2[C@H]3COC[C@H]32)c(F)c1 1122372756 RQQLIQRNUMSJCQ-MEWQQHAOSA-N 320.324 -0.126 30 20 DBED C[C@@H]1CCO[C@@H]1C(=O)NC[C@@H](CO)Nc1nccnc1C#N 1122584142 DAVJIVRIZGDZQA-SCVCMEIPSA-N 305.338 -0.338 30 20 DBED Cc1nc(C)c(C(=O)NC[C@@H](CO)N=c2cc[nH]cc2C#N)[nH]1 1122592888 HJVJQRDPFCXCFB-LBPRGKRZSA-N 314.349 -0.082 30 20 DBED CN(C)CCC(=O)N(C)C[C@H](O)CNc1ccc(C#N)nn1 1124709938 VZJPSQKKJRHYDD-GFCCVEGCSA-N 306.370 -0.469 30 20 DBED C=C(C)CN(CC)C(=O)[C@@H](C)NCCNC(=O)Cn1ncnn1 1127449607 NOKKNKXIBOZVGG-GFCCVEGCSA-N 323.401 -0.808 30 20 DBED COCCO[C@@H](C)C(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1 1129300507 ANZKRHZZJVWKGT-XQQFMLRXSA-N 322.369 -0.805 30 20 DBED CCOCCOCC(=O)N1C[C@H](n2ccnn2)[C@H](NCC#N)C1 1130139605 FDRRSVCUGZWMAC-OLZOCXBDSA-N 322.369 -0.804 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)[C@H]1COCCN1CC 1130614624 BVXNQMDYOPDSGP-QWHCGFSZSA-N 312.414 -0.896 30 20 DBED C[C@H]1CCN(C(=O)CCCS(N)(=O)=O)C[C@H]1CNCC#N 1133088178 XOIQRVRKXNXXGE-NWDGAFQWSA-N 316.427 -0.347 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)C[C@@H](C)NCC(=O)NCCC 1134130127 CNVARLODDJVKDK-OLZOCXBDSA-N 324.425 -0.475 30 20 DBED C=CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)c1cnnn1C 1134244792 QCAINKBRDMBQNV-GHMZBOCLSA-N 308.386 -0.396 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@@H]1CCc2ccccc2O1 1135516329 NYQGXOLVIKVMKI-HNNXBMFYSA-N 315.373 -0.165 30 20 DBED C=C(C)CN[C@H](C)C[C@@H](C)NC(=O)CNC(=O)Cn1cncn1 1146560926 FBHJCFVSXFAXOM-CHWSQXEVSA-N 322.413 -0.157 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CN(CC(=O)N2CCCC2)CCCO1 1149400667 XMDUTCZJXRJGDL-KBPBESRZSA-N 322.409 -0.024 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CN(CC(=O)NC2CC2)CCCO1 1149409505 UTQQSDJCEOLBIR-DGCLKSJQSA-N 308.382 -0.368 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@H](C)OCCOCC 1152201721 FQBVECPHCFYOQO-LBPRGKRZSA-N 301.387 -0.564 30 20 DBED CCN(CCC#N)C(=O)CNCCCNC(=O)c1cc[nH]n1 1154887282 YCZREHZELQUUJZ-UHFFFAOYSA-N 306.370 -0.119 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)c1ccncn1 1155918188 AAECYPSFKZOJOG-GFCCVEGCSA-N 303.366 -0.334 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)Cc1cc(C)[nH]n1 1156447271 QMGSQQJFHNDOSR-GFCCVEGCSA-N 305.382 -0.506 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)c1nccn1CC 1157242299 IULQJDGLRNIHGT-LBPRGKRZSA-N 305.382 -0.250 30 20 DBED Cc1cc(COCC(=O)NCCCNCC(=O)NCC#N)on1 1160724698 QLVOTABPAQCBEU-UHFFFAOYSA-N 323.353 -0.765 30 20 DBED CC#CCN1CC=C(CCNC(=O)CS(=O)(=O)NC)CC1 1161893271 AOKYXMVKCQOGQY-UHFFFAOYSA-N 313.423 -0.303 30 20 DBED C#CCO[C@H](C)C(=O)NCCC1(CNCCOCCO)CC1 1164509220 XPEKCTRRHOAANB-CQSZACIVSA-N 312.410 -0.090 30 20 DBED N#CCNC(=O)CNCCCNC(=O)[C@H]1CCCc2nc[nH]c21 1166407686 BFHNGYFQVJEUTL-NSHDSACASA-N 318.381 -0.435 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@H]1CCCCC(=O)N1 1166455692 YHBAZEXGKJRMEU-GFCCVEGCSA-N 310.398 -0.557 30 20 DBED C=CCCC(=O)N1CC[C@@H]2OCCN(Cc3nnn(C)n3)[C@H]2C1 1176954682 HRZFUIRUBZEQLQ-STQMWFEESA-N 320.397 -0.022 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@H](CC(C)C)C(N)=O 1177528058 COSOCKHQVSXYHF-GFCCVEGCSA-N 312.414 -0.468 30 20 DBED C[C@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)c1cc[n+]([O-])cc1 1178058718 QVZRLELGQWBNFR-AAEUAGOBSA-N 317.349 -0.848 30 20 DBED COCC#CCN[C@H]1CCN(C(=O)[C@@H]2CN(C)CCO2)[C@H]1C 1178413877 ADOHVYUAEDGCDR-KKUMJFAQSA-N 309.410 -0.454 30 20 DBED CN(C)S(=O)(=O)CC(=O)NCCCCCCNCC#N 1180172666 CQROYISDEQZMAZ-UHFFFAOYSA-N 304.416 -0.332 30 20 DBED N#CCNC(=O)CN[C@@H]1CCN(C(=O)c2ccccc2O)C1 1181050483 OWQTVFQGSUPXHE-LLVKDONJSA-N 302.334 -0.164 30 20 DBED CC(C)C#CC(=O)N1CC[C@@H](CNCC(=O)NC(N)=O)[C@@H](C)C1 1184358019 SFWTXPNNCRMCIX-STQMWFEESA-N 322.409 -0.085 30 20 DBED CN(CCOCCO)[C@@H]1CCN(C(=O)CSCC#N)C1 1188959013 MYBFVNQJVPFQSS-GFCCVEGCSA-N 301.412 -0.215 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)C(=O)C(C)(C)C)C1 1189418337 KUEUHRILYSRPDG-GFCCVEGCSA-N 307.394 -0.116 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)[C@H]2CCCNC2=O)C1 1190788784 MBFHCOJCWVDWQF-STQMWFEESA-N 322.409 -0.653 30 20 DBED C=CCOCCCC(=O)N[C@@H]1CN([C@H](CC)C(N)=O)C[C@H]1O 1192054393 SIYKEPUQDWYLAG-JHJVBQTASA-N 313.398 -0.606 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)Cc2ccn(CC)n2)C1 1193095624 MEWWLQDINGBHLZ-HUUCEWRRSA-N 322.409 -0.191 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C2(CCC)CC2)C1 1195990835 NKOLHWFEKZKUML-CHWSQXEVSA-N 307.394 -0.523 30 20 DBED C=CCNC(=O)[C@H](C)N1CCCN(C(=O)c2nc[nH]n2)CC1 1197484669 HXDYCEFXAPRUMS-NSHDSACASA-N 306.370 -0.357 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)CNC(=O)c2ccccc2F)C1 1198637957 GIDKCUXEYNAERM-ZIAGYGMSSA-N 319.336 -0.650 30 20 DBED C#CCNC(=O)[C@H](C)NC1CCN(C(=O)[C@@H](C)NC(C)=O)CC1 1199226318 YJOJWKVLUZZZDQ-NWDGAFQWSA-N 322.409 -0.771 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2ccnn2C)C[C@H]1O 1199311997 CTNZRMZHDJQTPA-IACUBPJLSA-N 308.382 -0.328 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)c2ncn(C)n2)CCCO1 1200435416 GPGVPWPMEDTIPA-CYBMUJFWSA-N 321.381 -0.714 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC(N[C@H](C)C(=O)NC(N)=O)CC1 1200506869 ILMUYINLTWNDAG-MNOVXSKESA-N 324.381 -0.811 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)C(C)(C)C)CCCO1 1201918057 ZOBPLBQEDCPCLT-CYBMUJFWSA-N 309.410 -0.011 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)CCCN(C)C)CC1 1202216746 BDNMUBFXAUBYAA-UHFFFAOYSA-N 308.426 -0.342 30 20 DBED Cn1cc(CCC(=O)N2CCCO[C@@H](CNCC#N)C2)nn1 1202234733 HLCOZUXHOZTFPF-ZDUSSCGKSA-N 306.370 -0.522 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)Cc2ccnn2C)[C@H](C)C1 1206906194 GZFJGNIWPJQCTL-TZMCWYRMSA-N 319.409 -0.299 30 20 DBED N#CCNC(=O)CN[C@H]1CCCN(C(=O)Cc2cncs2)C1 1208378412 RMRRTZRXZFNTFT-NSHDSACASA-N 321.406 -0.094 30 20 DBED COCC#CCN1C[C@@H](NC(=O)[C@H](C)n2cncn2)[C@H](OC)C1 1212136918 RRAGTSKQQGGPJW-BFHYXJOUSA-N 321.381 -0.696 30 20 DBED C=CCOCCN1C[C@@H](NC(=O)c2cnn(CC)n2)[C@H](OC)C1 1212216745 SQCUINUCXDEQCQ-ZIAGYGMSSA-N 323.397 -0.070 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)c2cc[nH]c2)[C@H](OC)C1 1212311527 QVXGFFPKTQAQEU-CHWSQXEVSA-N 306.366 -0.254 30 20 DBED C#CCN[C@@H]1CN(C(=O)C(C)(C)NS(C)(=O)=O)C[C@H]1C 1215833277 ZXGTWJZUEHYMKS-GHMZBOCLSA-N 301.412 -0.616 30 20 DBED C=CCN(CC=C)C(=O)CN1C[C@H](O)[C@H](NC(=O)C2CC2)C1 1219086085 NHPOCZSNUITVOL-KGLIPLIRSA-N 307.394 -0.242 30 20 DBED C=CCCC(=O)N[C@@H]1CN(CCOCCNC(C)=O)C[C@@H]1O 1219344425 JUISZMLOADDQQB-KGLIPLIRSA-N 313.398 -0.733 30 20 DBED C=CCOCCCC(=O)N[C@@H]1CN([C@@H](C)C(=O)NC)C[C@@H]1O 1219426526 HFVWDVXSFVCBMF-XQQFMLRXSA-N 313.398 -0.735 30 20 DBED C#CCCCC(=O)N[C@@H]1CN([C@@H]2CCN(CC)C2=O)C[C@@H]1O 1219539609 SSVNUBUYYLVYGM-MCIONIFRSA-N 307.394 -0.428 30 20 DBED Cn1ccc(CN2C[C@H](O)[C@H](NC(=O)C#CC3CC3)C2)cc1=O 1219589623 AGIAUSFPYFBYDJ-CABCVRRESA-N 315.373 -0.540 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)c2cc(OC)n(C)n2)C1 1219977810 UHWMDQUMZRCGJA-OLZOCXBDSA-N 324.381 -0.594 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(CCOCCO)C[C@@H]2O)cc1 1220116637 ANEWWBUVUNUAAB-CVEARBPZSA-N 318.373 -0.548 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C/C=C(\C)C=C)C1 1220172160 LJRYCZQQKWJNDW-BDPFXEMMSA-N 305.378 -0.581 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H](C)CC(=C)C)C1 1220201196 IVXDINZOHLZVMB-MJBXVCDLSA-N 307.394 -0.501 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)C2(CC)CC2)C1 1220300591 QFGUHXGTKTYWGO-UPJWGTAASA-N 307.394 -0.524 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)CCNC(=O)CC(C)C)C1 1221177609 CKDWOJYGKUVZAY-KGLIPLIRSA-N 309.410 -0.277 30 20 DBED C=CCNC(=O)NC(=O)CN1CC[C@@H]2CN(C(=O)CC)[C@@H]2C1 1221208892 GSOODPHPNBEXMI-VXGBXAGGSA-N 308.382 -0.059 30 20 DBED C=CCNC(=O)CN1CC[C@@H]2CN(C(=O)Cn3cccn3)[C@@H]2C1 1221267783 DCKDUAKHEXAHHF-ZIAGYGMSSA-N 317.393 -0.282 30 20 DBED Cc1ncoc1C(=O)N1C[C@H]2CCN(CC(=O)NCC#N)C[C@H]21 1221464484 QOIHKNBFHCTLOR-VXGBXAGGSA-N 317.349 -0.231 30 20 DBED C#CCCN1CC[C@@H]2CN(C(=O)[C@@H](C)NC(=O)COC)[C@@H]2C1 1221570145 WCVOAXTWELTOSV-MGPQQGTHSA-N 307.394 -0.307 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1NCc1nnnn1C 1226186850 FKHZFJGUQJXTBP-YNEHKIRRSA-N 320.397 -0.235 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)CN(CC)CC)CC1 1229678589 HFXVEOHVUDPJEY-UHFFFAOYSA-N 308.426 -0.342 30 20 DBED COCCC(=O)NCC[C@H]1CN(CC#N)CCS1(=O)=O 1230398445 BKBWGTNBKWOQKE-NSHDSACASA-N 303.384 -0.848 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)CCCNC(=O)c1cc[n+]([O-])cc1 1233599258 ZUEHYSNFWYJJFN-CYBMUJFWSA-N 318.377 -0.490 30 20 DBED CN(C[C@H]1CCN1CC(=O)NCC#N)C(=O)CC1OCCCO1 1233915392 NTWUSMVNTFDZFR-GFCCVEGCSA-N 324.381 -0.688 30 20 DBED CC1(C)[C@H](NC(=O)C(=O)N2CCO[C@H](C#N)C2)[C@H]2CCO[C@H]21 1261087384 OEMQEYZGFKGCNS-DDHJBXDOSA-N 307.350 -0.333 30 20 DBED CN(CC(=O)N1CCOCC1)C(=O)NC1CCN(CC#N)CC1 1318717265 LNGBIZPCSAYOPL-UHFFFAOYSA-N 323.397 -0.525 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)NCCOC[C@H]1CCCO1 1322147502 AMYLWVJDUNYRHW-NWDGAFQWSA-N 300.355 -0.385 30 20 DBED N#CCCCCNC(=O)C(=O)NC[C@H]1CC(=O)N(C2CC2)C1 1323193153 MHERZEOLXVFZOJ-LLVKDONJSA-N 306.366 -0.076 30 20 DBED C#CCCCCNC(=O)C(=O)NCc1ccc(C(N)=O)nc1 1323197770 SXHSRAURRVWGIL-UHFFFAOYSA-N 302.334 -0.284 30 20 DBED Cc1cc(NC(=O)C(=O)NC[C@H]2COCCO2)ncc1C#N 1326779752 CWZGAAWDVNJBKE-NSHDSACASA-N 304.306 -0.268 30 20 DBED CCn1nnc(C)c1C=NN1C(=O)[C@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C1=O 1329671956 IQNJECVJEXOUSD-WYUUTHIRSA-N 301.306 -0.121 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCC[C@@H]2CNC[C@H]2C)C1=O 1340913889 BARGLUYGYHKNLK-GHMZBOCLSA-N 322.365 -0.675 30 20 DBED CNC(=O)c1ccc(C(=O)[C@H](C#N)C(=O)NCCCOC)cn1 1341883228 IZWYVMLXXSJKAW-NSHDSACASA-N 318.333 -0.084 30 20 DBED C=CCN(CC=C)C(=O)C(=O)NCCS(=O)(=O)CC=C 1343312726 RCBZXVPVXHKLJU-UHFFFAOYSA-N 300.380 -0.096 30 20 DBED C=CCCC[C@H](N)C(=O)NCC(=O)NCCN1CCOCC1 1353508149 IYORFQLTKVPWFC-ZDUSSCGKSA-N 312.414 -0.765 30 20 DBED N#Cc1cn(CCC(=O)NCCc2cnoc2)c(=O)nc1O 1363086423 HRYDEOYWJRDVPU-UHFFFAOYSA-N 303.278 -0.442 30 20 DBED Cn1c(=O)[nH]c(N2CCC(CCC(N)=O)CC2)c(C#N)c1=O 1364559896 YMGTZZSQFOIXSF-UHFFFAOYSA-N 305.338 -0.573 30 20 DBED CN(CC(=O)N1CCOCC1)S(=O)(=O)CC1(CC#N)CC1 1364778792 NQHGROLPLRQHET-UHFFFAOYSA-N 315.395 -0.199 30 20 DBED COC[C@@H](O)CN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C#N)c[nH]1 1366995540 WOYCFBJSGOBHFW-AVGNSLFASA-N 304.350 -0.208 30 20 DBED C[C@H](CNC(=O)c1ccc(C#N)[nH]1)NC(=O)Cc1nc[nH]n1 1377361211 ZSJVDSPQJGAKQQ-MRVPVSSYSA-N 301.310 -0.518 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CCCN(C(=O)c2nccnc2N)C1 1387647959 KATDMRIPQYQAJE-UWVGGRQHSA-N 302.338 -0.061 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)C[C@@H]2CCN(C)C2=O)CC1 1393692710 AVESYIWIPGIXBV-QWRGUYRKSA-N 306.366 -0.221 30 20 DBED C=C(Br)CN1CC(CNC(=O)[C@H](C)NC(N)=O)C1 1404870933 WEFWAJJPDOXXRJ-QMMMGPOBSA-N 319.203 0.000 30 20 DBED COc1cncc(C(=O)N2CC(CNC(=O)[C@@H](C)C#N)C2)n1 1409176199 UBNPIERZJCGRGF-VIFPVBQESA-N 303.322 -0.167 30 20 DBED C[C@H](O)[C@@H](NC(=O)C1CCCC1)C(=O)N1CCO[C@H](C#N)C1 1411751724 FISIDZCZFNICNB-CYZMBNFOSA-N 309.366 -0.207 30 20 DBED CCCC[C@H](CNC(=O)[C@H](C)C#N)NC(=O)Cn1ncnn1 1424446201 NNMXVSJAYYSFMO-GHMZBOCLSA-N 307.358 -0.376 30 20 DBED C[C@@H](CN(C)C(=O)c1cccc(C(N)=O)n1)NC(=O)[C@H](C)C#N 1425125692 YABPJJBTNHYKLA-ZJUUUORDSA-N 317.349 -0.083 30 20 DBED COCCN(CCNC(=O)c1cnnn1C)C(=O)[C@H](C)C#N 1426050267 LTLNUSYMTJXTTE-SNVBAGLBSA-N 308.342 -0.820 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C)C(=O)CNC(=O)N1CCCC1 1429449185 AHBPRWAECJBBME-NSHDSACASA-N 309.370 -0.474 30 20 DBED CCCN(CCNC(=O)[C@H](C)C#N)C(=O)Cn1ncn(C)c1=O 1431836207 QRVBFNYXXHBLFH-LLVKDONJSA-N 322.369 -0.904 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1ocnc1C1CC1 1458037190 QKGRZYVHZCGGNW-WCBMZHEXSA-N 306.322 -0.081 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N1C[C@@H](CO)[C@H](CO)C1 1464150795 HMBRWLCNPGUMMF-WOPDTQHZSA-N 305.400 -0.755 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2CCN(C[C@@H](O)COC)C2)nc1 1479968995 MLPZWNZEAUNBNW-UONOGXRCSA-N 303.362 -0.126 30 20 DBED C=CCn1cc(C(=O)N2CCCC[C@H]2CN[C@@H](C)C(N)=O)nn1 1491265972 OEHCDXPAZBRWQL-RYUDHWBXSA-N 320.397 -0.078 30 20 DBED CCCNC(=O)[C@@H](C)NC(=O)C(=O)Nc1ccc(C#N)cn1 1516671665 WYOFOMOAVVWYMA-SECBINFHSA-N 303.322 -0.077 30 20 DBED C=CCn1c(-c2ncnn2C)nnc1N1CCNC(=O)[C@@H]1CC 1520622762 UZAHTQYKZRTSLJ-JTQLQIEISA-N 316.369 -0.026 30 20 DBED C[C@@H]1CN2CCN1C[C@H]2C(=O)NCC1CCN(CC#N)CC1 1527843795 BTXKSRHELXRUSY-HIFRSBDPSA-N 305.426 -0.274 30 20 DBED CON=CC(=O)N[C@@H]1CC(=O)N(C2CC2)[C@@H]1c1ccnn1C 1548529999 HDLLMACROZRVBA-YGRLFVJLSA-N 305.338 -0.027 30 20 DBED C=C(Cl)C[C@H](NS(=O)(=O)c1cnc(N)nc1)C(=O)O 1573308483 XDJVWNBCVJXRFZ-ZETCQYMHSA-N 306.731 -0.067 30 20 DBED N#CCN1CC[C@@H](NC(=O)CCCCCc2cnn[nH]2)[C@H](O)C1 1577706261 ADRCWNOTNOQEJT-ZIAGYGMSSA-N 320.397 -0.017 30 20 DBED N#C[C@@H]1CN(C(=O)C2=NO[C@@]3(CCNC3)C2)CCN1C1CC1 1580041748 GHRVVHJWCMSREO-DOMZBBRYSA-N 303.366 -0.306 30 20 DBED N#CCCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCN2)cc1 1580051959 ULJGCNXVAQHEPD-LBPRGKRZSA-N 322.390 -0.030 30 20 DBED C#CC[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccccc1)C(=O)O 1588404956 IXCPKGRRUINFEG-GFCCVEGCSA-N 324.358 -0.100 30 20 DBED C#CC[C@@H](NC(=O)c1cc(S(N)(=O)=O)oc1C)C(=O)O 1588413568 BHKBEDOMGWPVLU-MRVPVSSYSA-N 300.292 -0.558 30 20 DBED C=CCOCCCNC(=O)C1(C(=O)O)CCS(=O)(=O)CC1 1588465134 KSIDGCKUSUGRDR-UHFFFAOYSA-N 319.379 -0.025 30 20 DBED C=C(CCC(=O)O)C(=O)N1CCN(c2cnc(O)nc2N)CC1 1588615079 JGKBNXANZKHKJL-UHFFFAOYSA-N 321.337 -0.166 30 20 DBED N#CCNC(=O)Cn1cc(-c2nn[nH]n2)c2ccsc2c1=O 1592678916 XYCXRFPXJQGREU-UHFFFAOYSA-N 315.318 -0.117 30 20 DBED C#CCN(CC)c1nnc(-c2cnc(-c3nn[nH]n3)cn2)n1C 1602718664 ZNNXVSIZMJMLKY-UHFFFAOYSA-N 310.325 -0.088 30 20 DBED C=CCOC[C@@H](NC(=O)[C@@H]1CC(=O)N(CCOC)C1)C(=O)O 1602910191 QKRKGMWNHKBOOC-GHMZBOCLSA-N 314.338 -0.747 30 20 DBED CNC(=O)[C@H]1CN(c2c(C#N)cccc2-c2nn[nH]n2)CCO1 1604879171 USOIVWMHAWHFCG-LLVKDONJSA-N 313.321 -0.310 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CCN(c2cnc(-c3nn[nH]n3)cn2)C1 1606456938 CJYDQWFJTZTHNT-LLVKDONJSA-N 324.348 -0.235 30 20 DBED CN1CCN(S(=O)(=O)CC2(C#N)CC2)C[C@@H](C(=O)O)C1 1610137674 HHYIPWWUGSLWRR-JTQLQIEISA-N 301.368 -0.432 30 20 DBED C=CCCC(=O)N[C@H]1CCN(C(=O)CN2CCOCC2=O)[C@@H]1C 1740063471 KXULXDOZULNROT-OLZOCXBDSA-N 323.393 -0.083 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC(NC(=O)[C@H]2CCCCN2C)C1 1753381058 QVDAEMYJUDOQNF-TZMCWYRMSA-N 308.426 -0.038 30 20 DBED CC#CCN[C@H](CNC(=O)[C@@H]1CCS(=O)(=O)N1)C(C)C 1753842372 JTOHWLLXODDDEE-NWDGAFQWSA-N 301.412 -0.568 30 20 DBED C#CCNC(=O)CNCC[C@@H](C)NC(=O)C12CCCN1CCC2 1753979972 WVSZWIIPPUYZNJ-CQSZACIVSA-N 320.437 -0.151 30 20 DBED C#CCNC(=O)[C@H](C)NC/C=C/CNC(=O)Cc1cc(C)on1 1754102257 BMIIEGWEZDTJMN-GFUIURDCSA-N 318.377 -0.075 30 20 DBED C=CCN1CC[C@H](NC[C@H](C)NC(=O)Cn2cncn2)C1=O 1754293482 WGVPVHQSJILWQQ-RYUDHWBXSA-N 306.370 -0.841 30 20 DBED C#CCCN1CC[C@@](O)(CNC(=O)c2cnn3cc[nH]c23)C1 1754760798 SJQXJTUVWBXCET-OAHLLOKOSA-N 301.350 -0.148 30 20 DBED CC#CCN1CC(O)(CNC(=O)C(C)(C)CN2CCOCC2)C1 1754769446 ACOKYQDSARCWLK-UHFFFAOYSA-N 323.437 -0.469 30 20 DBED COCC#CCNCCN(CCO)C(=O)c1coc(C(N)=O)c1 1754888147 KMAFIVQVACRFPM-UHFFFAOYSA-N 323.349 -0.948 30 20 DBED C#CCCNC1(CNC(=O)c2nccnc2C(N)=O)CCC1 1754992148 QKZRYTPSAQKDOG-UHFFFAOYSA-N 301.350 -0.159 30 20 DBED N#CCNC[C@H]1CN(C(=O)[C@H]2CCn3ccnc3C2)CCO1 1755005615 RLAWYJDCLWIZQS-STQMWFEESA-N 303.366 -0.214 30 20 DBED C#CCNC(=O)CN[C@@H](C)[C@@H](C)NC(=O)Cn1ccccc1=O 1755267150 KHHVAWCRUVKWAE-QWHCGFSZSA-N 318.377 -0.920 30 20 DBED C=CCNC(=O)CN(C)[C@H](C)CNC(=O)[C@H]1CCCC(=O)N1C 1755324859 RKTVRECJVOYRJL-CHWSQXEVSA-N 324.425 -0.264 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC([C@H](C)NC(=O)c2cnn(C)n2)C1 1755387404 INMFPTNFCQWOEI-WDEREUQCSA-N 318.381 -0.997 30 20 DBED C=CCCCN[C@H](C)[C@H]1CN(C(=O)c2nnn(C)n2)CCO1 1755446941 YTMYEMPXRMQFCV-VXGBXAGGSA-N 308.386 -0.005 30 20 DBED N#Cc1ccc(CN[C@@H](CO)CNC(=O)[C@H]2CCNC2=O)s1 1755634445 MENFXFHQKOLTRA-SKDRFNHKSA-N 322.390 -0.677 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](CO)NCc1nccc(C)n1 1755638847 FBDZBOAQOAADFV-MCIONIFRSA-N 320.393 -0.057 30 20 DBED C=CCNC(=O)CNC[C@@H](O)CN(C)C(=O)c1n[nH]cc1C 1755776555 AUAHTAIAAXCIGV-LLVKDONJSA-N 309.370 -0.957 30 20 DBED C[C@@H](CNC(=O)C#CC1CC1)N(C)C(=O)c1cn(C)c(=O)n1C 1756025629 PZHJSPKHDJVMKM-NSHDSACASA-N 318.377 -0.286 30 20 DBED C=C[C@](C)(CC)C(=O)NC[C@H](CO)NC(=O)CNC(=O)NC 1756547926 LXCWQZIWNBUKCP-QMTHXVAHSA-N 314.386 -0.889 30 20 DBED COCCOCC(=O)N[C@@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1O 1757564138 RJXBUSIRAWHHIF-KGLIPLIRSA-N 324.377 -0.859 30 20 DBED Cc1c(C(=O)N2CC[C@@](O)(CC#N)C2)nnn1-c1cnn(C)c1 1771754633 MYEFRXZBJUEMKP-AWEZNQCLSA-N 315.337 -0.200 30 20 DBED Cn1nc(C(=O)O)cc1C=NN1C(=O)[C@@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C1=O 1776102457 QLPLGRXYPCWJSD-DBIOUOCHSA-N 316.273 -0.609 30 20 DBED C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1CCN(C)CC1)C2 1801598203 MZBCFCRVVYYHEE-QDMKHBRRSA-N 318.421 -0.495 30 20 DBED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)CN(C)C)C2 1841599229 LGEBGKYCCSLECQ-CYBMUJFWSA-N 307.394 -0.210 30 20 DBED Cn1c(=O)ccn(CC(=O)N(CCC#N)CC(F)(F)F)c1=O 80798908 HBFUGCAILAJQIV-UHFFFAOYSA-N 318.255 -0.148 30 20 DBED CNC(=O)CO/N=C(/N)c1cccc(CN2CCOCC2)c1 129169811 CMJRBRSNUOOENP-UHFFFAOYSA-N 306.366 -0.098 30 20 DBED CC[C@H](C#N)NC(=O)c1cnc2c(c1C)c(=O)n(C)c(=O)n2C 164265533 VLHNSUYURCWYCA-SECBINFHSA-N 315.333 -0.027 30 20 DBED C=CCNC(=O)NC(=O)CN1CCNC[C@@H]1c1nccn1C 261841846 WRFRQOGOBLFZQU-LLVKDONJSA-N 306.370 -0.622 30 20 DBED N/C(=N\CCNC(=O)c1ccco1)NCCCN1CCOCC1 264058939 BYDHOHPQVWMXTI-UHFFFAOYSA-N 323.397 -0.364 30 20 DBED COC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(F)cc1C#N 273601123 NJJZOHZVKRXBOW-SECBINFHSA-N 302.283 -0.490 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C)CN(C)C(C)C)C1=O 290928415 LXXQONQTCYRMIB-LLVKDONJSA-N 324.381 -0.192 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCc2c(C)noc2C)C1=O 299613183 YMXJFHLLNVZVBF-UHFFFAOYSA-N 320.305 -0.116 30 20 DBED CN1C(O)=N[C@@H]2CN(C(=O)CNc3ccc(C#N)cn3)CC[C@@H]21 329212239 ZSIGEDRBHGWSAA-NEPJUHHUSA-N 314.349 0.194 30 20 DBED C[C@@H](/N=C(/O)CN1CCCS1(=O)=O)C(=O)N1CCOCC1 329251379 XZUWQBUIVFAFMF-SNVBAGLBSA-N 319.383 -0.774 30 20 DBED CN1CC[C@H](/N=C(/O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)C1=O 329605286 HIQIUVRUTLVLDK-AMOVGVPESA-N 321.333 -0.664 30 20 DBED CC1(C)CN(/C(O)=N/C[C@@H]2COCCO2)CCS1(=O)=O 329796808 HCGXQVZKZMMKHZ-SNVBAGLBSA-N 306.384 -0.175 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@H]1CCC(=O)N(C)C1 330400035 UECFCSXUMSPESY-NSHDSACASA-N 318.399 -0.696 30 20 DBED C[C@@H](C(=O)N(C)CC(=O)N1CCO[C@@H](C#N)C1)n1cccn1 330656634 OYPJMDOMVCUYGK-RYUDHWBXSA-N 305.338 -0.347 30 20 DBED C[C@H]1CN(C(=O)CNC(=O)c2ccc(C#N)cc2)C[C@@H](CO)O1 330969176 MDKQILIGBQSWHY-FZMZJTMJSA-N 317.345 -0.104 30 20 DBED C=C(C)CS(=O)(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 332147126 NRXCAXLGTJAASH-UHFFFAOYSA-N 315.395 -0.685 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N[C@@H]2CCCC[C@H]2C(N)=O)CCO1 336950764 UANMNVDBMGQEKK-GMTAPVOTSA-N 316.383 -0.911 30 20 DBED CN(C)C1(CN(C)S(=O)(=O)N2CCO[C@H](C#N)C2)CCC1 337167627 CNDGXBNOQLKZMM-GFCCVEGCSA-N 316.427 -0.128 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N1CCCN([C@@H](C)CO)CC1 346663973 XKNSHDMENIUBPS-QWHCGFSZSA-N 312.414 -0.225 30 20 DBED CC(C)n1cc(C#N)c(NC(=O)C(=O)N[C@@H](C)[C@H](C)CO)n1 359390979 PKEQKROJIIRZST-ZJUUUORDSA-N 307.354 0.407 30 20 DBED CNS(=O)(=O)CC(=O)N1CCC[C@]2(CCCCO2)[C@H]1C#N 373377350 NGTCDEBDOTWTEM-DGCLKSJQSA-N 315.395 -0.011 30 20 DBED COC(=O)[C@H]1[C@@H](O)CCCN1C(=O)CNc1ccc(C#N)cn1 444443211 MIWNTUFQGMUVKB-SMDDNHRTSA-N 318.333 -0.110 30 20 DBED C#CCN1CCN(C(=O)CN2CCO[C@@]3(CCO[C@H]3C)C2)CC1 491046264 PDWQYHYASLPSLL-RDJZCZTQSA-N 321.421 -0.356 30 20 DBED CNS(=O)(=O)C[C@H]1CCCN1S(=O)(=O)N(C)CCC#N 494788819 VLPPBRNTUGOELY-SNVBAGLBSA-N 324.428 -0.910 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)NC[C@@H](CC(=O)O)C(=O)O 567053244 XCNZUQJEBHTFAK-JGVFFNPUSA-N 307.328 -0.770 30 20 DBED CN1C[C@@H](N(C)C(=O)CNc2ccc(C#N)cn2)CCC1=O 570105645 ACXQFAKCYXCPDA-LBPRGKRZSA-N 301.350 0.444 30 20 DBED CNS(=O)(=O)NC1CCN(C(=O)[C@@]2(C#N)C[C@H]2C)CC1 579847052 SRAMBMURIATICM-BXKDBHETSA-N 300.384 -0.419 30 20 DBED C[C@@H]1CCC[C@@](C#N)(NC(=O)CNS(=O)(=O)N(C)C)C1 597258408 NILDQRDUORVUCH-ZYHUDNBSSA-N 302.400 -0.029 30 20 DBED N#CCNC(=O)CNC(=O)[C@H]1CCN(C(=O)c2ccccc2)C1 599934614 RUBGQQHEAKBWRZ-ZDUSSCGKSA-N 314.345 -0.095 30 20 DBED N#CCCN1CCN(C(=O)N2CCS(=O)(=O)CC2)CC1 601536840 VPZGTKZIYMTSKC-UHFFFAOYSA-N 300.384 -0.632 30 20 DBED C[C@@]1(C#N)CCCN(C(=O)Cn2cc(S(N)(=O)=O)cn2)C1 612232266 CHCRXXKLDQVESM-LBPRGKRZSA-N 311.367 -0.317 30 20 DBED C=C(C)COCCNC(=O)[C@H]1CCCN(S(N)(=O)=O)C1 612435775 HUNHFVDSHIJNAK-NSHDSACASA-N 305.400 -0.389 30 20 DBED C=CCOC[C@@H](NC1CCN(S(C)(=O)=O)CC1)C(=O)OC 619509457 WSLRBLXUBZAGAR-GFCCVEGCSA-N 320.411 -0.256 30 20 DBED C=CC[C@H](CO)CNS(=O)(=O)CCCN1CCN(C)CC1 632182302 DDXYCKHHXZYNIQ-AWEZNQCLSA-N 319.471 -0.272 30 20 DBED O=C1CCc2cc(S(=O)(=O)NCC#CCO)cc3c2N1CC3 632514934 DEQLUAKPMMISRT-UHFFFAOYSA-N 320.370 -0.204 30 20 DBED C=CCNC(=O)CNC(=O)[C@H]1CCCCN1S(C)(=O)=O 679119304 GMMCPEYVJLGKDQ-SNVBAGLBSA-N 303.384 -0.781 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@H]1CCN(CCN2CCOCC2)C1 685742513 GAXJXHZSCCODLA-GOEBONIOSA-N 311.426 -0.164 30 20 DBED CNC(=O)C1(C(=O)OCC(=O)N(CCC#N)CCC#N)CC1 730043271 GIITUEVKCVHNEL-UHFFFAOYSA-N 306.322 -0.288 30 20 DBED Cn1nc(C(=O)N(CC#N)CC(=O)O)c2ccccc2c1=O 739058998 VYXNNSJTGCJFCL-UHFFFAOYSA-N 300.274 -0.016 30 20 DBED C#CCCS(=O)(=O)N1CCC[C@H](CN(C)S(C)(=O)=O)C1 808312076 MCMPNRNDQPEDAV-GFCCVEGCSA-N 322.452 -0.057 30 20 DBED C#CCONC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 812784390 LMIPFYVVSQDZRI-JTQLQIEISA-N 307.331 -0.094 30 20 DBED C#CC[C@@H](CO)NC(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1 816675266 WWXVQGSGYPSBOJ-FZMZJTMJSA-N 314.345 -0.393 30 20 DBED COc1cc(C#N)ccc1OCC(=O)Nn1c(O)nnc1O 820289571 YFYMEUKCFPWUME-UHFFFAOYSA-N 305.250 -0.281 30 20 DBED COCCN1[C@@H](C)CN(C(=O)NCC(=O)NCC#N)C[C@H]1C 827067419 GWBNYEXEBBDCGG-TXEJJXNPSA-N 311.386 -0.623 30 20 DBED CNS(=O)(=O)c1cc(C(=O)N[C@@H]2CNC[C@@H]2C#N)c(C)o1 834480198 MLPKXYYQFKBFGO-WCBMZHEXSA-N 312.351 -0.663 30 20 DBED C#CCOCCNC(=O)N1CCC[C@@H](C(=O)N2CCNCC2)C1 841874907 KQLVIXJTJCERSX-CQSZACIVSA-N 322.409 -0.510 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)Cn2cncc2C)CC1 859178843 FSSMYLZOIWOCGH-UHFFFAOYSA-N 303.366 -0.915 30 20 DBED CC1(C)OCC(NC(=O)C(=O)N2CCN(CCC#N)CC2)CO1 875230387 FYJCQOHOUJGAKX-UHFFFAOYSA-N 324.381 -0.688 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)Cc2cnc(C)o2)CC1 878719300 XFOQUNHIGQKBOH-UHFFFAOYSA-N 304.350 -0.581 30 20 DBED C=C[C@](C)(O)c1cn([C@@H](C)C(=O)N2CCN(C(C)=O)CC2)nn1 881169493 FRCHKLHCPSXPMW-NHYWBVRUSA-N 321.381 -0.077 30 20 DBED C#CC1(O)CN(C(=O)CSc2nnnn2CC(F)(F)F)C1 890522066 BMNZLXVUQWJDEB-UHFFFAOYSA-N 321.284 -0.466 30 20 DBED NC(=O)c1ccc(C(=O)N[C@@H]2CCN(C(=O)C#CC3CC3)C2)[nH]1 942435843 BBVAPHNNOUXSKW-LLVKDONJSA-N 314.345 -0.142 30 20 DBED C#CCN1CC[C@H](NC(=O)Cn2nc(C)n(C)c2=O)[C@H](C)C1 944491520 LKPQOXGTJMZCOP-YPMHNXCESA-N 305.382 -0.650 30 20 DBED N#Cc1cc(C(=O)N[C@H]2[C@H]3C[C@H]2N(C(=O)c2nc[nH]n2)C3)c[nH]1 946959343 RHACEGXTACVIDS-GDPRMGEGSA-N 311.305 -0.353 30 20 DBED CNC(=O)CN1CCC2(CC1)CN(C(=O)[C@@H](C)C#N)CCO2 949051318 GGDBXSSUROQUEF-LBPRGKRZSA-N 308.382 -0.415 30 20 DBED C=CCCn1cc(C(=O)N2CCN([C@H](CC)C(N)=O)CC2)nn1 951617026 NUJJAYANGYJPGV-CYBMUJFWSA-N 320.397 -0.124 30 20 DBED C#CCCN1C[C@H](CNC(=O)c2ccn(C)c(=O)c2)[C@@H](O)C1 958184195 WXRDRAGYQZCJAW-KBPBESRZSA-N 303.362 -0.569 30 20 DBED C#CCCN1C[C@H](CNC(=O)c2cn(CCC)nn2)[C@@H](O)C1 958552668 WENIENDGSMTRAY-JSGCOSHPSA-N 305.382 -0.266 30 20 DBED CN(C(=O)[C@H]1CCOC1)[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 958706891 CFZQEGFDEYLLKH-IHRRRGAJSA-N 306.362 -0.534 30 20 DBED N#CCN1C[C@@H]2C(NC(=O)[C@@H]3CCCN3C(=O)C3CC3)[C@H]2C1 961974542 YOIUFTGFFNVOCB-AVGNSLFASA-N 302.378 -0.043 30 20 DBED C#CCN1C[C@H]2[C@H](NC(=O)Cc3c(C)nc(O)nc3O)[C@H]2C1 962128689 IQTFZHFHOODRFL-PJXYFTJBSA-N 302.334 -0.582 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CN(C(=O)Cn3cncn3)C[C@H]2C1 962261438 WZBFUGUVVDTEJX-SDDRHHMPSA-N 302.338 -0.645 30 20 DBED CC#CCN1CC[C@@H](C)[C@@H](NC(=O)Cn2ccc(O)nc2=O)C1 967268884 ONGDYRHEJKBRML-OLZOCXBDSA-N 318.377 -0.201 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)CN2CCC(C)(C)C2)C1 970654024 OTBWFHIWFDRFSW-UPJWGTAASA-N 322.409 -0.434 30 20 DBED C=CCn1cc(C(=O)N2C[C@H]3[C@H](NC(=O)C(F)F)[C@H]3C2)nn1 976015849 FDLWGPMXBQPIGE-MBTKJCJQSA-N 311.292 -0.084 30 20 DBED C#CCN1C[C@@H]2C(CNC(=O)[C@H]3CN(C(C)=O)CCO3)[C@H]2C1 979014695 MKGLVAKUMNGHAP-RBSFLKMASA-N 305.378 -0.839 30 20 DBED C=CCN1CC[C@H](N2CCCN(C(=O)CC(N)=O)CC2)C1=O 980873319 RIABMHRDNYMMHL-LBPRGKRZSA-N 308.382 -0.817 30 20 DBED C#CCN1C[C@@]2(C)CN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C[C@@]2(C)C1 982606301 WRHURYUGBPXWRG-KNXALSJPSA-N 318.377 -0.612 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)Cn3ncnn3)C[C@H]2C1 986594610 UJXFKTUYGJJFLL-UTUOFQBUSA-N 317.353 -0.860 30 20 DBED C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)CN2C(=O)CNC2=O)C1 989766677 SLXMVIRLFNVXLH-VHSXEESVSA-N 314.773 -0.130 30 20 DBED CC#CCN1CC[C@]2(NC(=O)Cn3ncn(C)c3=O)CCC[C@H]12 991475068 RYIWTXPSNAFTKF-XJKSGUPXSA-N 317.393 -0.282 30 20 DBED C#CCN1CC[C@@]2(NC(=O)Cn3c(O)nnc3O)CCC[C@@H]12 992444617 IFRDRXJWSGLTOF-YGRLFVJLSA-N 305.338 -0.564 30 20 DBED C=CCN1CCC[C@H](NC(=O)CN2CCN(C)C(=O)C2)[C@@H]1C 993524283 SPTAEJNIGOUVJZ-KBPBESRZSA-N 308.426 -0.085 30 20 DBED C#Cc1ccc(C(=O)N2CC(NC(=O)[C@@H]3CCC(=O)N3)C2)nc1 997109404 IMNBIPVQSUFXJP-LBPRGKRZSA-N 312.329 -0.718 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CCNC(=O)C2)C1 1000005004 KWGJELJFIQHABU-RTXFEEFZSA-N 321.377 -0.569 30 20 DBED CC(=O)N1CCC(C(=O)NCC2CN(C(=O)[C@@H](C)C#N)C2)CC1 1001827650 AXQGUSGQOBOZJU-NSHDSACASA-N 320.393 -0.021 30 20 DBED C#Cc1ccc(C(=O)N[C@H](C)C2CN(C(=O)CC(N)=O)C2)cn1 1006527431 CNIWRFRZPJECRX-SNVBAGLBSA-N 314.345 -0.485 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CN(C(=O)CC(N)=O)CC1(C)C 1008616741 RJWLHCDOCXTUAS-WOPDTQHZSA-N 323.393 -0.194 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2C(CNC(=O)C3=COCCO3)[C@H]2C1 1008742917 JXURJBJYTYGXKI-YUSALJHKSA-N 305.334 -0.145 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@H](CNC(=O)c3cc(=O)n(C)o3)[C@H]2C1 1009004077 RHPDZYZYUSPJMX-DBIOUOCHSA-N 318.333 -0.428 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C(=O)c2cn(C)ccc2=O)CC1 1011761453 LXWRIUSOMFPFSD-NSHDSACASA-N 302.334 -0.171 30 20 DBED O=C1NC[C@H](C(=O)NCC2=CCN(C(=O)C#CC3CC3)CC2)N1 1017688019 IDEJPQIBRJKLQM-CYBMUJFWSA-N 316.361 -0.644 30 20 DBED C[C@@H](N[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1)c1nnnn1C 1018683068 WTTQVTKLCWJRJY-KOLCDFICSA-N 314.353 -0.025 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H]2C[C@H](NCc3nc(O)n[nH]3)C2)c1 1020058368 DTMAWLIPTZFVCN-KYZUINATSA-N 301.310 -0.239 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]2CN(C(=O)C3(C(N)=O)CC3)C[C@H]21 1022567136 RSKGZQLPGVPMAK-GARJFASQSA-N 304.350 -0.529 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnn3cc[nH]c23)C1 1024951656 MFVFMAHOEBZCJL-JMJZKYOTSA-N 316.321 -0.876 30 20 DBED CN(CC#N)[C@@H]1CCCN(C(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 1027505197 MIZXFOHBFWYEPB-YPMHNXCESA-N 316.365 -0.188 30 20 DBED C=CCN1CCC[C@H]1CNC(=O)C1CC2(C1)NC(=O)NC2=O 1028196385 JPWYIZUTCAXDDS-VTWZXRTESA-N 306.366 -0.259 30 20 DBED C#CCCN1CC[C@H](CNC(=O)c2cn(C)c(=O)nc2O)C1 1028980192 NDVNOAZSAYJHJI-LLVKDONJSA-N 304.350 -0.439 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)c3cc(C)[nH]n3)C2)C1=O 1030136811 OVJYDCYVRHGBFD-ZDUSSCGKSA-N 303.366 -0.081 30 20 DBED C=CCN1CC[C@@H](N2CC[C@H](NC(=O)[C@@H]3CCC(=O)N3)C2)C1=O 1032832943 KYZBWKKZXUSQFZ-RWMBFGLXSA-N 320.393 -0.758 30 20 DBED C#CCCN1CCO[C@H](CNC(=O)c2nnn(C(C)(C)C)n2)C1 1035383265 WFVXQJQNDDCIAZ-GFCCVEGCSA-N 320.397 -0.118 30 20 DBED C[C@@H]1CN(C(=O)CN2C(=O)CN(C)C2=O)CC[C@@H]1NCC#N 1036287217 VWOXDXHZHVFKPF-MNOVXSKESA-N 307.354 -0.769 30 20 DBED N#CCN1CC[C@H](C2CCN(C(=O)[C@@H]3CNC(=O)N3)CC2)C1 1039155871 VWRXRKLJTUSPAF-STQMWFEESA-N 305.382 -0.248 30 20 DBED C#CCOCCC(=O)N1CC[C@@](O)(CNC(=O)C#CC2CC2)C1 1039685234 LEHUBNHFWSAXBM-QGZVFWFLSA-N 318.373 -0.481 30 20 DBED C[C@H]1[C@@H](N=c2cc[nH]c(C#N)n2)CCN1C(=O)c1nccnc1N 1040086062 ZFQRHQAWJIIXQC-UWVGGRQHSA-N 324.348 -0.143 30 20 DBED Cc1cnoc1C(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1O 1041152743 OQDQBYLSOGPATD-GHMZBOCLSA-N 314.305 -0.376 30 20 DBED C#CCN1CC[C@@]2(CCN(C(=O)Cn3c(O)nnc3O)C2)C1 1041804941 DZLCDVKOBMVORN-CQSZACIVSA-N 305.338 -0.753 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)CC2(O)CCC2)C1 1042039551 BOGMHRFBFASTMZ-UHFFFAOYSA-N 312.366 -0.816 30 20 DBED Cc1cn(C)nc1C(=O)N1CC(O)(CNC(=O)C#CC(C)C)C1 1042936802 QKOKEMLGTDXYHQ-UHFFFAOYSA-N 318.377 -0.309 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)/C=C\C2CC2)C1 1043040026 MSPXQVCLHHWHLR-ZHRWSRJISA-N 306.362 -0.320 30 20 DBED C=C[C@@H](C(=O)NCC1(O)CN(C(=O)C(N)=O)C1)c1ccccc1 1043304587 OHMUCWWYAPKDNU-GFCCVEGCSA-N 317.345 -0.869 30 20 DBED N#Cc1nccc(N2C[C@H](O)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)n1 1043876687 GCGNCKXSBGSRFC-NEPJUHHUSA-N 323.316 -0.472 30 20 DBED C#CCN[C@@H]1CCN(C(=O)c2cnc(O)n(C)c2=O)[C@@H](C)C1 1044709185 VHISHKKYMSTCMG-WDEREUQCSA-N 304.350 -0.298 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)c2ccccc2O)C1 1045541556 XHWFERSTRIALLZ-JTQLQIEISA-N 303.318 -0.145 30 20 DBED Cn1c(C(=O)N2CCN([C@H]3CCN(CC#N)C3)CC2)cnc1O 1046049409 NWWWSXYZKNBEJV-LBPRGKRZSA-N 318.381 -0.519 30 20 DBED N#CCN1CC[C@@H](N2CCN(C(=O)C34CCN(CC3)C4)CC2)C1 1046075625 CLJIXDOBJZPDTF-OAHLLOKOSA-N 317.437 -0.176 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC(O)(CNC(=O)C3(CF)CC3)C2)c1 1046359666 QRKXKVDUPWOUIJ-UHFFFAOYSA-N 320.324 -0.061 30 20 DBED C=CCN1CC[C@](C)(NC(=O)c2cc(=O)n3[nH]cnc3n2)C1 1046769208 PIJGPOUBTJLNLZ-AWEZNQCLSA-N 302.338 -0.202 30 20 DBED C=CCCCC(=O)N1CC(O)(CNC(=O)Cc2cnc[nH]2)C1 1047176847 IZEZAGIVHDTGRE-UHFFFAOYSA-N 306.366 -0.002 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cc2cc[nH]n2)C1 1048604690 AOFUJEAHSWYDOV-STQMWFEESA-N 306.366 -0.052 30 20 DBED C#CCCCC(=O)N(C)[C@H]1CN(C(=O)[C@@]23COC[C@@H]2C3)C[C@@H]1O 1048757553 IOVOJNMAGLVQEZ-WSMBLCCSSA-N 320.389 -0.144 30 20 DBED C#CCOCCC(=O)N(C)[C@H]1CN(C(=O)c2cn[nH]c2)C[C@@H]1O 1048845098 ZPYFXBVRSXUXGD-STQMWFEESA-N 320.349 -0.907 30 20 DBED C=CCCN1C[C@H]2CN(C(=O)CN3CCN(C)C(=O)C3)C[C@H]2C1 1048906125 HNOMKAHOYGQVSA-GASCZTMLSA-N 320.437 -0.273 30 20 DBED C#CCN1C[C@H]2CN(C(=O)[C@H]3CCc4nnnn4CC3)C[C@H]2C1 1049073221 HGIXPWVTWQEXDZ-MELADBBJSA-N 314.393 -0.351 30 20 DBED CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)CN1CCOCC1=O 1049519900 AYHFDZXRHDBDRH-HUUCEWRRSA-N 319.405 -0.066 30 20 DBED C=CCN1CCOC[C@@H]1CNC(=O)c1c(C)c[nH]c1CC(N)=O 1051126165 CKRVJLIMHSNQFW-LBPRGKRZSA-N 320.393 -0.032 30 20 DBED N#Cc1cccnc1N1CC[C@H](NC(=O)c2nc[nH]n2)[C@H](O)C1 1051710653 CPONDMKDZLOJLL-WDEREUQCSA-N 313.321 -0.559 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H]1CN(C(=O)CCOC)C[C@@H]1C 1051720482 HXYWXZLXPAOTQE-QWHCGFSZSA-N 323.393 -0.627 30 20 DBED N#Cc1ccc(N2CC[C@@H](NC(=O)c3cnco3)[C@@H](O)C2)nn1 1051755327 SJRPLGODCPUTAN-MNOVXSKESA-N 314.305 -0.294 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](C)[C@H](CNC(=O)Cn2ncnn2)C1 1052553052 GBWWBNKPIDWQRM-CHWSQXEVSA-N 318.381 -0.457 30 20 DBED C#CCCN1CC2(CC[C@@H](CNC(=O)[C@H]3CNC(=O)N3)O2)C1 1053655463 LOAPIEPFEFAGAN-NWDGAFQWSA-N 306.366 -0.959 30 20 DBED C=CCN1CC2(C[C@H](NC(=O)C[C@H]3CC(=O)NC3=O)CO2)C1 1054025659 FAJFYAOPQVHXEF-QWRGUYRKSA-N 307.350 -0.815 30 20 DBED CN(C)CCC(=O)N1CCC[C@@](CO)(NC(=O)C#CC2CC2)C1 1055938841 LYQVHAXUWBBEKM-QGZVFWFLSA-N 321.421 -0.179 30 20 DBED Cc1nonc1C(=O)NC1[C@@H]2CN(c3nccnc3C#N)C[C@@H]12 1056243235 XFAWGMKCOWKVRS-RKDXNWHRSA-N 311.305 -0.096 30 20 DBED C=CCOCC(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)CC(N)=O 1056314351 MQTGPCFFSDGBAS-NEPJUHHUSA-N 309.366 -0.344 30 20 DBED N#Cc1nccc(N2C[C@H]3[C@H](NC(=O)c4cnnc(O)c4)[C@H]3C2)n1 1056333399 KJGNQTIPKIYLFI-MSRIBSCDSA-N 323.316 -0.292 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCCN2C(=O)C(N)=O 1056537953 QPIHECUKPSLICO-WOPDTQHZSA-N 307.350 -0.898 30 20 DBED C#Cc1ccc(C(=O)NCCN(CCO)C(=O)COC)cn1 1056785243 COEUHKZCAARHBJ-UHFFFAOYSA-N 305.334 -0.740 30 20 DBED CN(c1nccnc1C#N)[C@@H]1CCN(C(=O)[C@H]2COCCO2)C1 1056868733 HKBVLXHULZRRTJ-DGCLKSJQSA-N 317.349 -0.199 30 20 DBED C#CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)CCSC 1056910812 GNDXTDUIKLCOMX-LBPRGKRZSA-N 316.423 -0.285 30 20 DBED C#CCNC(=O)CC(=O)NCCN(CCO)C(=O)/C(C)=C\CC 1057122527 SZOZBPDHRODYGW-MLPAPPSSSA-N 323.393 -0.581 30 20 DBED N#Cc1nc(=NC2CCN(C(=O)Cn3nccn3)CC2)cc[nH]1 1057377219 HLJZLLOADXXDKD-UHFFFAOYSA-N 312.337 -0.535 30 20 DBED C=C[C@@H](C)[C@@H](C)C(=O)NCCN(CCO)C(=O)c1cn(C)nn1 1057495843 SUYRZNUWPJMYGJ-VXGBXAGGSA-N 323.397 -0.176 30 20 DBED C=C(C)C[C@H](C)C(=O)N(CCO)CCNC(=O)Cn1nccn1 1058463575 CFJQAHOJXRHDIC-ZDUSSCGKSA-N 323.397 -0.183 30 20 DBED C[C@H]1CCCN1CC(=O)N(CCO)CCNC(=O)[C@H](C)C#N 1058843945 PGCFGWNKONJWPF-OLZOCXBDSA-N 310.398 -0.433 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@H](CCNC(=O)CC(N)=O)C2)[nH]1 1059484305 JLJPHQSMCPIPML-JTQLQIEISA-N 317.349 -0.270 30 20 DBED C=CCCC(=O)NC[C@@H]1COCCN1C(=O)c1cc(=O)n(C)o1 1061406428 ITVZUQGQGJRGBE-LLVKDONJSA-N 323.349 -0.098 30 20 DBED C#CCCCC(=O)N1CCOC[C@H]1CNC(=O)CNC(=O)CC 1061428751 MACCMHIZMMBFSD-CYBMUJFWSA-N 323.393 -0.340 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)CCCC(N)=O 1061683422 DXLLIPMRBGXFAJ-WDEREUQCSA-N 310.354 -0.855 30 20 DBED CC(=O)NC(C)(C)C(=O)NC[C@H]1COCCN1C(=O)[C@H](C)C#N 1061709560 VFFVQIHYINBOGB-PWSUYJOCSA-N 324.381 -0.596 30 20 DBED N#Cc1cnc(N2CC[C@H](CNC(=O)[C@H]3C[C@H]3C(N)=O)C2)cn1 1061731992 AWVXYVFVRHURAT-JLLWLGSASA-N 314.349 -0.588 30 20 DBED C#CCNC(=O)CC(=O)N1CCO[C@@H](CNC(=O)C(C)C)C1 1065063973 QHSUONIMZXTIHZ-LBPRGKRZSA-N 309.366 -0.875 30 20 DBED C#CCCCC(=O)N1CCO[C@H](CNC(=O)CCNC(N)=O)C1 1065097711 XXSDEZDUABGLEX-GFCCVEGCSA-N 324.381 -0.808 30 20 DBED Cc1nc(CC(=O)NC[C@@H]2CN(C(=O)[C@@H](C)C#N)CCO2)n[nH]1 1065556851 KHLTYCSICUIAQC-GXSJLCMTSA-N 320.353 -0.841 30 20 DBED N#Cc1nccnc1N1C[C@H](O)[C@H](CNC(=O)c2cc[nH]n2)C1 1067652157 WBQHXEHZYJMPCW-SKDRFNHKSA-N 313.321 -0.702 30 20 DBED Cn1nncc1C(=O)N1C[C@H]2CC[C@H]1CN2c1cnc(C#N)cn1 1068040534 JTKSYGWNPLJRGM-NEPJUHHUSA-N 324.348 -0.030 30 20 DBED Cn1cc(C(=O)N2C[C@H]3CC[C@H]2CN3c2ccnc(C#N)n2)nn1 1068041877 JYNLNPJSYHEKEF-MNOVXSKESA-N 324.348 -0.030 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CCC2(CN(C(=O)COC)C2)O1 1068572496 JEOHWKGQUDMGTO-ZDUSSCGKSA-N 324.377 -0.451 30 20 DBED N#Cc1cncc(NC[C@H]2C[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)n1 1068588931 OFLFYKFGARBNRX-IQIPOGNMSA-N 314.349 -0.224 30 20 DBED CCNC(=O)CC(=O)N[C@H]1COC2(C1)CN(C(=O)[C@H](C)C#N)C2 1068820858 FHELIDXUSSPJAI-GHMZBOCLSA-N 322.365 -0.842 30 20 DBED C=CCN[C@@H]1CN(C(=O)c2ccn(C)n2)C[C@@H]1n1ccnn1 1070327147 UTALQPAORJHCJH-OLZOCXBDSA-N 301.354 -0.147 30 20 DBED C#CCCCC(=O)N1CCC[C@@H](NC(=O)CCn2cnnn2)C1 1070670798 JSOVNVYZBWPZIZ-CYBMUJFWSA-N 318.381 -0.026 30 20 DBED CC(C)(C)C#CC(=O)N1CCC[C@@H](NC(=O)Cn2cnnn2)C1 1070708922 JXUOJTWDOLYKSA-GFCCVEGCSA-N 318.381 -0.170 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CCCN(C(=O)Cn2ncnn2)C1 1070775941 YSFOGMQMEMXRHM-VXGBXAGGSA-N 322.369 -0.629 30 20 DBED CO[C@H]1CCC[C@@H]1C(=O)N1CCC(=O)NCCN(CC#N)CC1 1070976952 WYWNOUSSMCTDFA-KBPBESRZSA-N 322.409 -0.024 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCCN(C(=O)[C@H]2CCNC2=O)C1 1071068511 AYFJKXKCIWHNNE-OLZOCXBDSA-N 321.377 -0.730 30 20 DBED C=CCOCC(=O)N[C@H]1CN(C(=O)CNC(=O)CC)C[C@@H]1C 1071816313 VLIKEGASUGOHRJ-RYUDHWBXSA-N 311.382 -0.322 30 20 DBED C#CCCN1CCO[C@H]2CCN(C(=O)C(C)(C)C(N)=O)C[C@@H]21 1074271501 NJZAWNBZQMSYPA-STQMWFEESA-N 307.394 -0.177 30 20 DBED N#CCN1CCO[C@H]2CCN(C(=O)CN3CCCNC3=O)C[C@H]21 1074284324 NNVKQZCMACXVMN-OLZOCXBDSA-N 321.381 -0.773 30 20 DBED Cn1ccc(=O)c(C(=O)N2CC[C@H]3OCCN(CC#N)[C@H]3C2)c1 1074291840 LXDADWRQHCYUCI-DZGCQCFKSA-N 316.361 -0.176 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)c3cn(C)c(=O)cn3)C[C@@H]21 1074302360 OXKMSJXLNDFUFS-UONOGXRCSA-N 316.361 -0.671 30 20 DBED C=CCN1CCO[C@@H]2CCN(C(=O)c3cn(C)c(=O)n3C)C[C@@H]21 1074414514 BEAAFUMYMVGACU-GXTWGEPZSA-N 320.393 -0.175 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CCN(C(=O)c2cnn(C)c2)CC1 1074463234 WCAKGWSFUICHEY-NSHDSACASA-N 319.365 -0.337 30 20 DBED C[C@@H](CCNC(=O)[C@@H]1COCCN1C)NC(=O)C#CC1CC1 1076205628 JISZIASPEUGEKW-JSGCOSHPSA-N 307.394 -0.259 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCN(C(N)=O)C2)C1 1077337048 SWAQTXDHDZWDFG-YNEHKIRRSA-N 310.398 -0.486 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)Cn2ncc3cccnc32)C1 1077404398 DNRNQFXBMMZTCI-VXGBXAGGSA-N 300.322 -0.884 30 20 DBED CCN(C(=O)C#CC(C)C)C1CN(C(=O)Cn2nccn2)C1 1079730504 ZIBJLNPTTFFQCU-UHFFFAOYSA-N 303.366 -0.003 30 20 DBED C#CCOCCC(=O)N(CC)C1CN(C(=O)CC(=O)NCC)C1 1079772120 HGDLKKZLUFTVCT-UHFFFAOYSA-N 323.393 -0.388 30 20 DBED C[C@@H](C#N)C(=O)NC1(CO)CCN(C(=O)[C@@H]2CCCN2C)CC1 1080980636 ZGJBHMWGYUHAGL-STQMWFEESA-N 322.409 -0.290 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1O 1081442419 VBVZFXLZXCOLJG-DGCLKSJQSA-N 319.365 -0.832 30 20 DBED CCC(=O)NCC(=O)N1C[C@H](O)[C@H](CNC(=O)C#CC(C)C)C1 1081462844 GGNWZSQGVARQFF-OLZOCXBDSA-N 323.393 -0.893 30 20 DBED C#CCN1C[C@@H](NC(=O)c2cc(CN(C)C)on2)[C@H](OC)C1 1081878260 CTVGUOOJELTLSA-ZIAGYGMSSA-N 306.366 -0.202 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CCN1CCCC1=O 1083278547 CMPHNGSCYWOXNI-LSDHHAIUSA-N 319.405 -0.066 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2Cc3ccccc3CO2)C1 1084012888 BKPUSWAXLNZJLB-PMPSAXMXSA-N 300.358 -0.078 30 20 DBED C=CCN1CC[C@@H]2CN(C(=O)c3cn(CC(N)=O)nn3)C[C@@H]2C1 1088212504 SFMSRZLISIHEEW-NEPJUHHUSA-N 318.381 -0.657 30 20 DBED N#CCN1CC[C@H](NC(=O)Cn2cnc3c2CCCC3)[C@H](O)C1 1090436312 PTDYVVNCTVLQGG-DZGCQCFKSA-N 317.393 -0.163 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CCN(c2ncccc2C#N)C[C@@H]1O 1092148763 UHKFTVMSTUKTMO-NEPJUHHUSA-N 317.349 -0.855 30 20 DBED CN(C)CCC(=O)N[C@H]1[C@@H]2CN(c3ccnc(C#N)n3)C[C@@H]21 1093340689 ABJMJCBSODDZMY-HBYGRHMLSA-N 300.366 -0.149 30 20 DBED C[C@@H]1CN(C)C[C@H](C(=O)NCCNc2cncc(C#N)n2)O1 1094226733 JFEDCBAJVUHEFK-ZYHUDNBSSA-N 304.354 -0.405 30 20 DBED C#CCN1CC(n2cc(CNC(=O)c3cn(C)nc3C)nn2)C1 1094279563 NRDLOSCQFUDNOF-UHFFFAOYSA-N 313.365 -0.260 30 20 DBED CCn1cc(C(=O)NCCCN=c2cc[nH]c(C#N)n2)nn1 1094558336 LIHXNNGETQMMDT-UHFFFAOYSA-N 300.326 -0.386 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)c3c[nH]nc3C)CC2=O)C1 1094767927 KZNJZXBPRSVZMP-NSHDSACASA-N 301.350 -0.634 30 20 DBED CN(CCCNC(=O)CSCC#N)c1nccn2nnnc12 1095473314 RKALMCRSWYBQFS-UHFFFAOYSA-N 320.382 -0.281 30 20 DBED N#Cc1ccc(N2CC[C@@H](NC(=O)CCNC(N)=O)C2)nn1 1096378685 VPWMKSBAYSQFFT-SNVBAGLBSA-N 303.326 -0.898 30 20 DBED CC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H]1CN(C(C)=O)CCO1 1096461378 OTSUTGBFYPGDRO-UGUYLWEFSA-N 319.405 -0.022 30 20 DBED C[C@H](CNC(=O)COC1CCOCC1)N=c1cc[nH]c(C#N)n1 1098043036 UAVZKRGRECNKHC-LLVKDONJSA-N 319.365 -0.118 30 20 DBED C[C@H](CNC(=O)C[C@@H]1CCNC1=O)N=c1cc[nH]cc1C#N 1098098197 VRODWDZKOFJULK-MNOVXSKESA-N 301.350 -0.182 30 20 DBED COC(=O)NCC(=O)N1CC[C@H](CNc2ccc(C#N)nn2)C1 1098503909 ZDVIFQVEBNVQEN-SNVBAGLBSA-N 318.337 -0.035 30 20 DBED C#CCNCc1cn([C@H]2CCN(C(=O)[C@@]3(F)CCOC3)C2)nn1 1098706006 OVCFFVGMIHSKIM-DZGCQCFKSA-N 321.356 -0.097 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)c2ccoc2)[C@H](O)C1 1099669085 MOZKKYDXYJCRLZ-CHWSQXEVSA-N 307.350 -0.253 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)CC2CCC2)[C@@H](O)C1 1099754347 FQBHYQOTOYNHBW-KBPBESRZSA-N 307.394 -0.523 30 20 DBED N#CCN1CC[C@H](NC(=O)CNC(=O)C2CCCC2)[C@@H](O)C1 1099847451 MYLMODSJOCMMEW-STQMWFEESA-N 308.382 -0.632 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)Cc2ccco2)[C@H](O)C1 1100041560 KYDQVVNPLKYCBZ-ZIAGYGMSSA-N 321.377 -0.324 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)Cc2ccco2)[C@@H](O)C1 1100042177 VMBXLHOKBYOSSV-KBPBESRZSA-N 319.361 -0.877 30 20 DBED CC(C)CC(=O)NCCC(=O)N[C@@H]1CCN(CC#N)C[C@@H]1O 1100143573 WVZXAEOUOCJNKM-OLZOCXBDSA-N 310.398 -0.386 30 20 DBED COCC#CCNC1CC(CNC(=O)[C@@H]2CN(C)CCO2)C1 1100212271 VUPUSYQKONCIRV-NRXISQOPSA-N 309.410 -0.549 30 20 DBED Cc1ccc(C#N)c(N(C)CCNC(=O)[C@H]2CN(C)C(=O)N2)n1 1100255404 OFMSLRZNNLRIJX-GFCCVEGCSA-N 316.365 -0.162 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CC(CNC(=O)c2cnon2)C1 1100773991 YKCQPNVKXSDUOD-KPPDAEKUSA-N 305.338 -0.695 30 20 DBED N#Cc1cnc(N2CCC[C@@H]2CNC(=O)C2(C(N)=O)CC2)cn1 1100902511 PJBQMOPOPOBFBL-LLVKDONJSA-N 314.349 -0.301 30 20 DBED C[C@@]12CN(CC(=O)NC(N)=O)C[C@@H]1CN(C(=O)C#CC1CC1)C2 1101226911 LUZXSJJIICKLCT-WBMJQRKESA-N 318.377 -0.625 30 20 DBED C[C@H](C(=O)N(C)CCNc1cncc(C#N)n1)S(C)(=O)=O 1102032477 KESWAFFASZZSQG-SECBINFHSA-N 311.367 -0.348 30 20 DBED C[C@@H](CC(N)=O)C(=O)N(C)[C@@H]1CCN(c2ccnc(C#N)n2)C1 1102752489 IFPSVVMYZOOUON-WDEREUQCSA-N 316.365 -0.103 30 20 DBED CCc1nc(C#N)cc(NC[C@@H](C)CNC(=O)CC(N)=O)n1 1103881698 PWAISNRJODFQAJ-SECBINFHSA-N 304.354 -0.050 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](C)[C@H](CCNCC(=O)NCC#N)C1 1104004746 KKKRCVGYVBBHQV-YNEHKIRRSA-N 305.382 -0.140 30 20 DBED COc1ccnc(N2CCO[C@@H](CNC(=O)[C@H](C)C#N)C2)n1 1104302172 QRTGOKDJGZKVAB-MNOVXSKESA-N 305.338 -0.034 30 20 DBED C#CCNCc1cn(C2CN(C(=O)[C@@H]3C[C@H]3C(=O)OC)C2)nn1 1105187571 AVLJGTFDEAJDNA-CHWSQXEVSA-N 317.349 -0.807 30 20 DBED N#Cc1nc(=NC[C@H](O)CNC(=O)C[C@H]2CCOC2)cc[nH]1 1105760709 XLKIQCLUTAAMPI-MNOVXSKESA-N 305.338 -0.914 30 20 DBED N#Cc1cnc(NC[C@@H](O)CNC(=O)CO[C@@H]2CCOC2)cn1 1105972123 CYEKPIGUALJSSG-VXGBXAGGSA-N 321.337 -0.957 30 20 DBED C#CCC1(C(=O)NC[C@@H](O)CN=c2cc[nH]c(C#N)n2)CCC1 1106004747 YSPRKQCVGZGVEA-LBPRGKRZSA-N 313.361 -0.147 30 20 DBED N#Cc1cncc(NC[C@H](O)CNC(=O)c2cncnc2O)n1 1106007635 UFPHEKOIMBMYRN-VIFPVBQESA-N 315.293 -0.953 30 20 DBED Cn1cncc1C(=O)NC[C@@H](O)CNc1cnc(C#N)cn1 1106010553 BQWJIHZKDWBWJP-JTQLQIEISA-N 301.310 -0.715 30 20 DBED CC[C@@H](NC(C)=O)C(=O)NC[C@H](O)CNc1nccnc1C#N 1106123046 IWEIWQFETLRHKD-GHMZBOCLSA-N 320.353 -0.848 30 20 DBED CCN(CCN=c1cc[nH]cc1C#N)C(=O)[C@H](C)NC(N)=O 1106736389 TWLSQQYBNWHMNZ-JTQLQIEISA-N 304.354 -0.308 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)[C@@H](C)CC(N)=O 1106910218 XEXCHVPVMDMZHT-JTQLQIEISA-N 304.354 -0.458 30 20 DBED N#Cc1cncc(NC/C=C/CNC(=O)[C@H]2CCCNC2=O)n1 1107390205 SILDEMFNLUWLCV-YYRQZUAOSA-N 314.349 -0.041 30 20 DBED C=CCn1cc(C(=O)N[C@H](C)CN=c2cc[nH]c(C#N)n2)nn1 1108141390 YEEVMVTXPKERFY-SNVBAGLBSA-N 312.337 -0.222 30 20 DBED C[C@@H](CNc1ccc(C#N)cn1)NC(=O)Cn1cnnc1O 1108316072 ZPOPWJUPVQLFOF-VIFPVBQESA-N 301.310 -0.133 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CC(=O)N(C2CN(Cc3ccon3)C2)C1 1108528382 WFUVKCBIOZQESB-JQWIXIFHSA-N 317.349 -0.264 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H]1CCNC(=O)C1 1109143405 OKDLPVKQSGGKBK-KBXIAJHMSA-N 319.405 -0.116 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cc1cnoc1 1109635785 RMOFWRITODGQPF-RDBSUJKOSA-N 316.361 -0.312 30 20 DBED N#Cc1ccc(NC[C@@H](NC(=O)Cn2nccn2)C2CC2)nn1 1109913098 XSTIPMHSOPCIIQ-GFCCVEGCSA-N 312.337 -0.053 30 20 DBED CS(=O)(=O)CCC(=O)NCC1(Nc2ccc(C#N)nn2)CC1 1110390728 ARAATDLNLWRADF-UHFFFAOYSA-N 323.378 -0.156 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H]1CN(C)CCO1 1110417450 ZDEVJVWPXRDMJE-LVQVYYBASA-N 321.421 -0.312 30 20 DBED C#CCNC(=O)CC(=O)N1CCN([C@H](C)c2csnn2)CC1 1112777700 ITXQSGHPOMQHLU-LLVKDONJSA-N 321.406 -0.117 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)c2cn(C)nn2)CC1 1112818444 GWXBFYJOAHQKFI-NSHDSACASA-N 306.370 -0.736 30 20 DBED C[C@@H](N=c1cc[nH]c(C#N)n1)[C@@H](C)NC(=O)c1ccc(O)nn1 1112900654 SSAUFDVLMNPRAF-RKDXNWHRSA-N 313.321 -0.115 30 20 DBED CCC(=O)NCC(=O)N[C@@H](C)[C@H](C)N=c1cc[nH]c(C#N)n1 1112931663 YIDGUTJKKFMQLC-UWVGGRQHSA-N 304.354 -0.399 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)c2csc(O)n2)CC1 1113226579 HKCWDXYZGXLOSH-JTQLQIEISA-N 322.390 -0.256 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 1113308036 YMHBLFDLHMTICJ-HUUCEWRRSA-N 322.453 -0.145 30 20 DBED Cc1cc(C#N)nc(N(C)[C@H](C)CNC(=O)[C@H]2COC(=O)N2)n1 1113591058 OSGLCWYSKNASNO-MWLCHTKSSA-N 318.337 -0.294 30 20 DBED CCN(CCC#N)C(=O)CN1C[C@@H]2C(NC(=O)CCOC)[C@H]2C1 1113759307 BREKDLKFEWXIGV-STQMWFEESA-N 322.409 -0.169 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)C3CCOCC3)[C@H]2C1 1113769724 LVNJQMAPHUAETN-SPWCGHHHSA-N 319.405 -0.403 30 20 DBED COC[C@H](OC)C(=O)NC[C@H](C)N(C)c1ccnc(C#N)n1 1113858231 UAWSURLRWCWMMA-QWRGUYRKSA-N 307.354 -0.049 30 20 DBED Cc1nc(N(C)[C@H](C)CNC(=O)[C@H]2CNC(=O)N2)ccc1C#N 1113869799 SDILVEBQSFSECL-BXKDBHETSA-N 316.365 -0.116 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3cnn(CC)c3)[C@H]2C1 1114058318 SNKTVBDCTSRIHD-STQMWFEESA-N 315.377 -0.688 30 20 DBED C=CCOCCN1C[C@H]2C(NC(=O)C3CS(=O)(=O)C3)[C@@H]2C1 1114321315 KPSCWXJOHAEKSL-VXGBXAGGSA-N 314.407 -0.720 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)c3csc(O)n3)[C@H]2C1 1114711931 CNQPVAVZRZTQSY-IUCAKERBSA-N 322.390 -0.189 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)[C@H]3CCCCC(=O)N3)[C@@H]2C1 1114819227 LSUXHHZXUQCTNB-MGPQQGTHSA-N 319.405 -0.259 30 20 DBED COCC(=O)N[C@H](C(=O)NC1[C@H]2CN(CC#N)C[C@H]12)C(C)C 1114939830 PVQHKCRHRBDVPA-GVXVVHGQSA-N 308.382 -0.656 30 20 DBED C=CCCN1C[C@H]2[C@H](NC(=O)CN(C)S(=O)(=O)CC)[C@H]2C1 1115051984 DGHGWJYTFNDZNV-IMRBUKKESA-N 315.439 -0.110 30 20 DBED CN(CCOCCNC(=O)c1cnn[nH]1)c1nccnc1C#N 1115268981 QPIVCFFYJCJZAW-UHFFFAOYSA-N 316.325 -0.651 30 20 DBED N#Cc1cnc(N[C@H](CO)CNC(=O)C[C@@H]2CCCO2)cn1 1121100418 SXOHPKUBJUVOBR-RYUDHWBXSA-N 305.338 -0.194 30 20 DBED CCc1nc(C#N)cc(N[C@@H](CO)CNC(=O)c2cn[nH]c2)n1 1121100596 VNVIRNWWHJKPKX-LLVKDONJSA-N 315.337 -0.163 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](CO)Nc1nc(O)c2cnn(C)c2n1 1121212777 JBKHJBNYRUWNDT-JGVFFNPUSA-N 319.325 -0.882 30 20 DBED C[C@@H](C(=O)NC[C@H](CO)N=c1cc[nH]cc1C#N)n1cncn1 1121346677 SILOOXKLBHIHFX-CMPLNLGQSA-N 315.337 -0.883 30 20 DBED COC(=O)c1cnc(N[C@@H](CO)CNC(=O)C#CC2CC2)nc1 1121439078 DYINPOGZVRZWOK-GFCCVEGCSA-N 318.333 -0.434 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)Cc2ccc[nH]2)nn1 1121621955 CQQBQQZSNQZWCS-GFCCVEGCSA-N 300.322 -0.192 30 20 DBED CCC(=O)N[C@@H](C)C(=O)NC[C@@H](CO)Nc1ncccc1C#N 1122752248 KJAUZPBRMXVJCC-JQWIXIFHSA-N 319.365 -0.243 30 20 DBED CCC(=O)NCC(=O)N(C)C[C@@H](O)CN=c1cc[nH]cc1C#N 1124185450 OOMNAYCSEFRKOP-LBPRGKRZSA-N 319.365 -0.867 30 20 DBED CN(C[C@@H](O)CNc1nccnc1C#N)C(=O)[C@H]1CCCN1C 1124208872 YUSJXLFWSUHVJX-WCQYABFASA-N 318.381 -0.326 30 20 DBED CN(C[C@@H](O)CNc1nccnc1C#N)C(=O)c1cnn[nH]1 1124896032 LHNVQKWTTCIPSQ-QMMMGPOBSA-N 302.298 -0.989 30 20 DBED CCN(C)CCC(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1 1129369737 FBKOSBGDXVLCOZ-OLZOCXBDSA-N 305.386 -0.515 30 20 DBED CN(C)c1ccc(C(=O)NCCNCC(=O)NCC#N)cn1 1130715652 DNYJUBNOWLFJNH-UHFFFAOYSA-N 304.354 -0.893 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1n[nH]c2c1CCCC2 1130740904 AGNQTOSVQYEBBO-UHFFFAOYSA-N 303.366 -0.643 30 20 DBED COC[C@H](OC)C(=O)N1C[C@H]2C[C@@H]3CN(CC#N)C[C@]2(C1)O3 1131263417 BEJKSFNTWAAIHD-GUIRCDHDSA-N 309.366 -0.527 30 20 DBED C[C@H]1CC[C@@H](NC(=O)c2cncnc2)CN1CC(=O)NCC#N 1131973111 YFLBMYQXDZARPD-WCQYABFASA-N 316.365 -0.301 30 20 DBED C[C@@H]1CC[C@@H](NC(=O)CC(C)(C)O)CN1CC(=O)NCC#N 1132009611 NOZSDHZXTXGYRO-VXGBXAGGSA-N 310.398 -0.244 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)COC[C@@H]1CCOC1 1134655962 QSIGSJHSSBWTFC-CHWSQXEVSA-N 313.398 -0.564 30 20 DBED C[C@@H](C[C@H](C)NC(=O)Cn1nc2n(c1=O)CCCC2)NCC#N 1135881998 FXULSLOZTHREII-RYUDHWBXSA-N 320.397 -0.222 30 20 DBED Cn1cccc1C(=O)N1CC2(CCN(CC(=O)NCC#N)C2)C1 1147005128 COTKURXEKMHCJL-UHFFFAOYSA-N 315.377 -0.187 30 20 DBED CC(C)c1ncncc1C(=O)NCCNCC(=O)NCC#N 1151265846 IUMFKIVZWHOFOJ-UHFFFAOYSA-N 304.354 -0.441 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)c1cccc(C(N)=O)n1 1152857024 QSNRXYACPFIFOM-JTQLQIEISA-N 319.365 -0.809 30 20 DBED C=CCO[C@H](C)C(=O)NCCNCCNS(=O)(=O)CC 1153148440 DRBNVEYXJLWMLF-LLVKDONJSA-N 307.416 -0.777 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)[C@@H]2CCCN2C)C1=O 1155812508 NXBMYIKPWPUTJP-KBPBESRZSA-N 308.426 -0.037 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)c2cc(=O)n(C)o2)C1=O 1157134666 PEYPAIAWDHWIRR-NSHDSACASA-N 322.365 -0.525 30 20 DBED COCC#CCNCCCNC(=O)Cn1cccc(C)c1=O 1157972863 MOEIUHIKIVZKEP-UHFFFAOYSA-N 305.378 -0.098 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1nc[nH]c2nccc1-2 1161843663 MLGNMFQALRUGFK-UHFFFAOYSA-N 314.349 -0.632 30 20 DBED C=CCNC(=O)CNCCCNC(=O)COCc1ccncc1 1169222453 UMMGJJZXPNUVJN-UHFFFAOYSA-N 320.393 -0.004 30 20 DBED C#CCNCCCC[C@@H](C)NC(=O)c1cc(=O)n2[nH]cnc2n1 1176144336 OWEFNHOPQZIGBK-LLVKDONJSA-N 316.365 -0.071 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](NC[C@H]2CCOC2)[C@@H]1C 1178519737 HRPGWRYRZFYKDA-MJBXVCDLSA-N 307.394 -0.259 30 20 DBED CC(C)C#CC(=O)N1CC[C@@H](NCC(=O)NC[C@@H]2CCOC2)C1 1182432022 OLLGHWJFOPSNIH-LSDHHAIUSA-N 321.421 -0.011 30 20 DBED C[C@H]1CN(C(=O)c2cc[nH]n2)CC[C@@H]1CNCC(=O)NCC#N 1183895873 BDLYKJKPOUUTDR-NWDGAFQWSA-N 318.381 -0.263 30 20 DBED CC#CCCCC(=O)N1CC[C@@H](N[C@@H](C)C(=O)NC(N)=O)C1 1184999764 KJAKUCYDUZISDM-NWDGAFQWSA-N 308.382 -0.046 30 20 DBED C=CCNC(=O)CNC[C@@H]1CCN(C(=O)c2nc[nH]n2)C[C@H]1C 1185361137 VDTAIJZRSCIHPX-NEPJUHHUSA-N 320.397 -0.205 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 1185684437 MZKBOUYUAQDNKS-HZSPNIEDSA-N 307.394 -0.272 30 20 DBED N#CCNC[C@@H]1CN(C(=O)Cn2ncnn2)CC12CCOCC2 1186373833 PFBWPBGORRNGEC-GFCCVEGCSA-N 319.369 -0.959 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)Cc2cnn(C)c2)C1 1189250973 KXKDCLNRJHBHDQ-AWEZNQCLSA-N 317.393 -0.755 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2cn(C)nn2)C1 1189963042 IWCOHTTWVICAIH-NSHDSACASA-N 306.370 -0.736 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)CCn2ccnc2)C1 1191625291 LFODDMNHUDRLTO-CQSZACIVSA-N 317.393 -0.445 30 20 DBED COCC#CCN(C)[C@H]1CCN(C(=O)COc2cnn(C)c2)C1 1191980592 WQWRYKANHQEGAX-AWEZNQCLSA-N 320.393 -0.019 30 20 DBED COCC#CCN(C)[C@H]1CCN(C(=O)CCN2CCOCC2)C1 1192848381 WAMFGLQRXKRFLV-INIZCTEOSA-N 323.437 -0.109 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(C[C@@H]2CCCOC2)C[C@H]1O 1192886716 XHRIILWZCPYGKI-RRFJBIMHSA-N 310.394 -0.386 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(CCc2ccns2)C[C@H]1O 1192899047 GOERQHCVUUPKAC-IACUBPJLSA-N 323.418 -0.115 30 20 DBED COCC#CCN(C)[C@@H]1CCN(C(=O)c2cn(C)c(=O)n2C)C1 1194306285 UHCJUULDWXTAFT-CYBMUJFWSA-N 320.393 -0.480 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(CC(=O)NCCC)C[C@H]1O 1199312996 IUVOXZGLXOQCAV-JHJVBQTASA-N 313.398 -0.735 30 20 DBED C=CCNC(=O)CNC[C@@H]1CN(C(=O)COCC)CCCO1 1199753077 KRICBWDUNQNZDV-CYBMUJFWSA-N 313.398 -0.468 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@H]1CN(C(=O)C(C)C)CCCO1 1199875323 FBKIWLHYRIUGSF-KBPBESRZSA-N 309.410 -0.013 30 20 DBED N#CCNC(=O)CNC[C@H]1CN(C(=O)C=C2CCC2)CCCO1 1200239927 VQNBYWUMFVECTH-AWEZNQCLSA-N 320.393 -0.056 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC(NCc2nnn(C)n2)CC1 1200532783 YONOEEHXWDOTFH-LLVKDONJSA-N 306.370 -0.671 30 20 DBED C#CCNC[C@H]1CN(C(=O)CCN2C(=O)CCC2=O)CCCO1 1200911557 NFIWAMPAIMTNKD-ZDUSSCGKSA-N 321.377 -0.634 30 20 DBED C=CCOCCN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)Cn1ncnn1)C2 1204342627 BLSJXOAPXQZXMI-MGPQQGTHSA-N 320.397 -0.155 30 20 DBED C#CCNC(=O)[C@H](C)NCC1CCN(C(=O)c2cn[nH]c2)CC1 1204617843 QBHIOKLYNZLCKW-LBPRGKRZSA-N 317.393 -0.011 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1NC(=O)CNC(=O)c1cccnc1 1208809464 OUDKLPGZHZZCRL-DGCLKSJQSA-N 301.350 -0.229 30 20 DBED COCC#CCN[C@H]1CCCN(C(=O)CCc2cnn(C)n2)C1 1209659200 ABDOTXMUWZBXTJ-HNNXBMFYSA-N 319.409 -0.022 30 20 DBED C=CCCN[C@H]1CCCN(C(=O)CNS(=O)(=O)N(C)C)C1 1209883934 QHWJJXVWLCLILZ-LBPRGKRZSA-N 318.443 -0.461 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@H](Cn1cccn1)N(C)C 1212406156 JTGJDJVYIBTLMS-HZSPNIEDSA-N 320.397 -0.848 30 20 DBED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)[C@H]1CC12CC2 1213488165 SNYSTWBJUNEQJP-IJLUTSLNSA-N 306.366 -0.758 30 20 DBED C#CCN1C[C@@H](NC(=O)CS(=O)(=O)C(C)(C)C)[C@H](OC)C1 1213721350 LLIMKSDNDXMYMX-VXGBXAGGSA-N 316.423 -0.352 30 20 DBED CC#CCN1C[C@@H](NC(=O)CCc2cn(C)nn2)[C@H](OC)C1 1213997291 MHMLROXLUIPNGR-ZIAGYGMSSA-N 305.382 -0.414 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CC(=O)NCC1CC1 1218942797 XWUJEWGSCNMQJF-UONOGXRCSA-N 305.378 -0.553 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)CNC(=O)c2cccs2)C1 1220902684 VAMGEWMPBKQFMN-NEPJUHHUSA-N 321.402 -0.338 30 20 DBED C=CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3cc[nH]n3)[C@@H]2C1 1221286273 RLGQKDMAXONJOW-DGCLKSJQSA-N 303.366 -0.142 30 20 DBED C=CCNC(=O)CN1CC[C@@H]2CN(C(=O)[C@H]3CCOC3)[C@@H]2C1 1221423479 JPDYUHKFVXOYKK-HZSPNIEDSA-N 307.394 -0.142 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H]2CCN(C[C@H]3CCOC3)C[C@H]21 1221496007 CYIHXVMOIGNKCP-RBSFLKMASA-N 319.405 -0.305 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@H]2CCN(Cc3nncn3C)C[C@H]21 1221539206 QKZDMWUALLQING-MGPQQGTHSA-N 317.393 -0.114 30 20 DBED N#CCNC(=O)CN1CCC(CNC(=O)[C@@H]2CCCO2)CC1 1222325289 LXTPJZXAVTXTNE-ZDUSSCGKSA-N 308.382 -0.367 30 20 DBED COCC#CCN1CCC(CNC(=O)C[C@@H](C)NC(N)=O)CC1 1223183181 URHLAPHZSRQNKR-CYBMUJFWSA-N 324.425 -0.089 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)c2cnccn2)CC1 1225831690 FILYTVINLHGLJA-UHFFFAOYSA-N 301.350 -0.580 30 20 DBED C#CCNC(=O)CC(=O)NC1CCN(Cc2nc(C)no2)CC1 1226961420 BKHHKOFOJPZXKA-UHFFFAOYSA-N 319.365 -0.402 30 20 DBED C=CCN1CCC(NC(=O)CCc2nnc(O)nc2O)CC1 1228133124 UFPWHIRAVHEDID-UHFFFAOYSA-N 307.354 -0.018 30 20 DBED COCC#CCN1CCC(NC(=O)CCN2CCOCC2)CC1 1229626241 VOVHHHZXJCQXQS-UHFFFAOYSA-N 323.437 -0.061 30 20 DBED C=CCNC(=O)CN1CC[C@H]1CN(C)C(=O)[C@@H]1CCCN1C 1231255230 KJEFWQHOVIJFQK-KBPBESRZSA-N 308.426 -0.085 30 20 DBED CN(C[C@@H]1CCN1CCNS(C)(=O)=O)C(=O)C#CC1CC1 1234196285 QYCIRMSGDAXFIE-ZDUSSCGKSA-N 313.423 -0.518 30 20 DBED C=C(C)CN(CC)C(=O)C(=O)N1C[C@@H](O)C[C@@H](C(=O)OC)C1 1261483706 BRXQNJVCABPCSC-NEPJUHHUSA-N 312.366 -0.207 30 20 DBED C[C@H](C#N)OCCN[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 1321298810 LZYTVIZFUHIKRU-AGIUHOORSA-N 317.411 -0.998 30 20 DBED C#CCN(C)C(=O)C(=O)Nc1cnn(CC(=O)NC2CC2)c1 1321466194 ZHSRTMAXERVVRF-UHFFFAOYSA-N 303.322 -0.808 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)NCCNc1ncccc1C#N 1321742381 TTZVDRCDSFDMOS-LBPRGKRZSA-N 317.349 -0.201 30 20 DBED CS(=O)(=O)CCNC(=O)C(=O)NCc1cccc(C#N)c1 1323097769 TXSWWSALKNIJIN-UHFFFAOYSA-N 309.347 -0.665 30 20 DBED O=C(CCN/C(O)=C1\N=CC=CC1=O)NCCOC(=O)C1CC1 1323397353 WCIWKQNZZGLMLX-BUHFOSPRSA-N 321.333 -0.028 30 20 DBED C[C@@H](NC(=O)CCCC#N)C(=O)N1CCS(=O)(=O)CC1 1323986762 VXDNJESHCQPTKN-SNVBAGLBSA-N 301.368 -0.558 30 20 DBED CCNC(=O)C(C)(C)CNC(=O)C(=O)N1CC[C@@](F)(C#N)C1 1325360737 BWDSAZZBLKLFHP-CQSZACIVSA-N 312.345 -0.271 30 20 DBED C#CCn1ccc(CN(CC)C(=O)C(=O)N2CCC[C@@H](O)C2)n1 1329701581 AFLGVHZSCFXYSE-CQSZACIVSA-N 318.377 -0.152 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCSC[C@H]1C 1329800460 HGYWFCHRCWXRAW-SNVBAGLBSA-N 320.436 -0.333 30 20 DBED C=CCn1c(C(N)=O)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1340258197 GVSPPDBLXROGSZ-QMTHXVAHSA-N 307.354 -0.053 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@@H](C)[C@H]1CCOC1 1347187144 WMRXMHBYDUWDIO-QWRGUYRKSA-N 318.395 -0.755 30 20 DBED N#CCN1CCC(NC(=O)C(=O)NCCOCCF)CC1 1347505577 MKGJYOYUQUEKIS-UHFFFAOYSA-N 300.334 -0.807 30 20 DBED CN(C(=O)Cn1cc(C#N)c(O)nc1=O)C1CCC(CO)CC1 1362247254 XWTTXIBSIOADPM-UHFFFAOYSA-N 320.349 -0.170 30 20 DBED CC(C)(CC#N)CS(=O)(=O)N1CC[C@H](S(N)(=O)=O)C1 1364828943 PLUGRQPRLPNRLP-VIFPVBQESA-N 309.413 -0.381 30 20 DBED CCCS(=O)(=O)CC(=O)NC[C@H](C)NC(=O)[C@H](C)C#N 1400292593 GKROPVGUSUEWHK-ZJUUUORDSA-N 303.384 -0.408 30 20 DBED COc1c[nH]c(C(=O)N[C@H](C)CNC(=O)[C@H](C)C#N)cc1=O 1415256656 JRLPIPNBFIRELC-RKDXNWHRSA-N 306.322 -0.222 30 20 DBED CN(CCNC(=O)c1cc(C#N)c[nH]1)C(=O)[C@H]1COCCO1 1415471810 QXOGIPHFHMIJLB-GFCCVEGCSA-N 306.322 -0.510 30 20 DBED CCCNC(=O)NC(=O)CN[C@H]1C[C@@H](CNC(=O)[C@@H](C)C#N)C1 1417761254 JIUSLJFYQIZXAP-SDDRHHMPSA-N 323.397 -0.134 30 20 DBED COCCN(CCNC(=O)[C@@H](C)C#N)C(=O)[C@@H]1CCCN1C 1428426100 SAADSIOHHPATEC-STQMWFEESA-N 310.398 -0.169 30 20 DBED COCCN(CCNC(=O)[C@H](C)C#N)C(=O)c1cnn(C)n1 1452151425 OMTCXMBYFFJXFY-SNVBAGLBSA-N 308.342 -0.820 30 20 DBED CC(C)n1nccc1C(=O)NC[C@H](O)CNC(=O)[C@@H](C)C#N 1452360494 UMEMUMPODHBFAL-WDEREUQCSA-N 307.354 -0.169 30 20 DBED Cc1cc(CC(=O)NC[C@@]2(O)CCN(C(=O)[C@@H](C)C#N)C2)no1 1454090504 YAOMNUJJBCWERD-BONVTDFDSA-N 320.349 -0.235 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1coc(C2CC2)n1 1458000927 MPABXNCQXJFXHB-PSASIEDQSA-N 306.322 -0.081 30 20 DBED C[C@@H](CNC(=O)[C@H](C)C#N)NC(=O)c1cnn2c(=O)cc[nH]c12 1495020796 YNBCHBLKMBQKNK-BDAKNGLRSA-N 316.321 -0.583 30 20 DBED CNC(=O)NCC(=O)NCC1(C)CCN(C(=O)[C@H](C)C#N)CC1 1506663606 FTQHSSSRJLQRBG-LLVKDONJSA-N 323.397 -0.180 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@@H]1CCCN(C(=O)CNC(=O)O)C1 1573311717 XICUOMHYWXQRPM-NEPJUHHUSA-N 324.381 -0.780 30 20 DBED CC(C)C#CC(=O)NCCN[C@@H](C)C(=O)NCc1cnn[nH]1 1575318149 HKESWVQKBNYKMO-NSHDSACASA-N 306.370 -0.825 30 20 DBED CC(C)C#CC(=O)N1CCO[C@H](CNCCc2cnn[nH]2)C1 1575318192 HYJJMXJTCQXDCO-CQSZACIVSA-N 305.382 -0.176 30 20 DBED CCS(=O)(=O)CCNc1cnc(C#N)c(-c2nn[nH]n2)n1 1578414481 IQTOIPVCNDWGEX-UHFFFAOYSA-N 308.327 -0.625 30 20 DBED C#CCN(CC(=O)O)C(=O)C(=O)Nc1cccc2c1CNC2=O 1588397664 PUHXLYPFSYABJW-UHFFFAOYSA-N 315.285 -0.585 30 20 DBED C#CCN(C(=O)NC[C@H]1C[C@H]1C(=O)O)[C@@H]1CCS(=O)(=O)C1 1588460337 YUNYRQRCXUJVTE-GMTAPVOTSA-N 314.363 -0.461 30 20 DBED C=C(CCC(=O)O)C(=O)N1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 1588619363 RGSYKHAHKRUVER-ZJUUUORDSA-N 304.368 -0.210 30 20 DBED C=CCNC(=O)CNC(=O)c1ccc(-c2nn[nH]n2)cc1OC 1588659763 QUYGDMOEFDWYAA-UHFFFAOYSA-N 316.321 -0.093 30 20 DBED CC#CC[C@@H](CO)NC(=O)C(=O)Nc1cccc(C(=O)O)n1 1588926049 HAVXCBWGWXEDSE-VIFPVBQESA-N 305.290 -0.391 30 20 DBED Oc1cccc(/C=N/CCn2cnc(-c3nn[nH]n3)n2)c1O 1593539944 LGWGPQJZCSHVTN-AWNIVKPZSA-N 300.282 -0.012 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N1CC[C@@](C)(C(=O)O)C1 1602683988 WWEMJRSXKDQTAF-IAQYHMDHSA-N 310.350 -0.146 30 20 DBED C#CCN(CC)CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cn1 1602720601 YSGQCZXKLRRWTE-UHFFFAOYSA-N 320.378 -0.010 30 20 DBED C[C@]1(C(=O)O)CCCN(S(=O)(=O)N2CCO[C@H](C#N)C2)C1 1604496939 YPCQCKONHPBEHG-PWSUYJOCSA-N 317.367 -0.358 30 20 DBED N#CCOC(=O)CNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 1606350081 OUYZAPIOANKTBH-UHFFFAOYSA-N 322.306 -0.788 30 20 DBED CC(C)[C@@](C)(C#N)NC(=O)Cn1cnc(-c2nn[nH]n2)cc1=O 1609086445 HGZYTQKVLAAJMN-CYBMUJFWSA-N 316.325 -0.522 30 20 DBED Cc1cc(N2CC[C@](O)(CC#N)C2)n2nc(C(=O)O)nc2n1 1610467706 HZVMCTPDPWNAMG-CYBMUJFWSA-N 302.294 -0.014 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC(NC(N)=O)CC1 1649789926 QFHOAZPRKHYPJY-VIFPVBQESA-N 303.388 -0.402 30 20 DBED CCN(CC)S(=O)(=O)CC(=O)N[C@H]1CCCN(CC#N)C1 1713801286 CICBZKLMPBSEGF-LBPRGKRZSA-N 316.427 -0.238 30 20 DBED C#CCNC(=O)CN[C@H](CNC(=O)c1c[nH]nc1CC)C1CC1 1752471389 NKANRZOSBMIHTN-CQSZACIVSA-N 317.393 -0.181 30 20 DBED C=CCNC(=O)CN[C@H]1C[C@@H](NC(=O)CCc2cnn[nH]2)C1 1752761194 IHCSUWVSJWNPQA-TXEJJXNPSA-N 306.370 -0.724 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@@H](NC(=O)CCn2cc(C)cn2)C1 1752775536 NFSDNZHJIRDKDE-OKILXGFUSA-N 317.393 -0.432 30 20 DBED C=CCNC(=O)CNC[C@@H]1CCN(C(=O)[C@@H]2CN(C)CCO2)C1 1752933907 DOHVUHAOSSHOAN-KBPBESRZSA-N 324.425 -0.943 30 20 DBED CCN(CCNC(=O)C#CC1CC1)[C@@H](C)C(=O)NC(=O)NC 1753081512 IOQPYEZOAQYEDW-NSHDSACASA-N 308.382 -0.318 30 20 DBED C=CCOCCN1CC[C@H](CNC(=O)CN2CCNC(=O)C2)C1 1753131607 YVAFPITYGAOTLY-CQSZACIVSA-N 324.425 -0.941 30 20 DBED C=CCNC(=O)NC(=O)CN1CC(NC(=O)Cc2ccco2)C1 1753389883 QMTHWLSTYNGPQE-UHFFFAOYSA-N 320.349 -0.366 30 20 DBED C=CCN1CC[C@H](N2CC[C@@H](N(CC)C(=O)CC(N)=O)C2)C1=O 1753455909 XMJTZYSEAWNLSI-OLZOCXBDSA-N 322.409 -0.429 30 20 DBED C#CCNC(=O)CN[C@H](CC)CNC(=O)[C@H]1CN2CCC1CC2 1753474472 XRHHGFCHSFFDDR-CABCVRRESA-N 320.437 -0.438 30 20 DBED C=CCNC[C@@H]1[C@H](C)CCCN1C(=O)CN1CCNC(=O)C1 1753809833 RIPGBWJSJOMYHJ-ZIAGYGMSSA-N 308.426 -0.179 30 20 DBED C#CCCNC[C@@H](O)CNC(=O)C(=O)Nc1ccc(OC)cc1 1753918373 NKADDGOTNQMROX-CYBMUJFWSA-N 319.361 -0.276 30 20 DBED COCC#CCNCCCN(C)C(=O)[C@@H](C)[C@H]1CCC(=O)N1 1754396501 QIZZHWXXVFWWPR-UONOGXRCSA-N 309.410 -0.011 30 20 DBED CC#CCN[C@H]1CCN(C(=O)Cn2ncn(C)c2=O)C[C@@H]1CC 1754464791 MMDHHUPOVHSGRW-KBPBESRZSA-N 319.409 -0.178 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@@H]1CCCN1C(=O)c1cnsn1 1754606583 VZVLNSXTBKUGEW-QWRGUYRKSA-N 321.406 -0.130 30 20 DBED N#CCNC(=O)CNC[C@@H]1CCCN1C(=O)c1csc(O)n1 1754615511 QHPBEOIEUBCNNZ-VIFPVBQESA-N 323.378 -0.317 30 20 DBED COCC#CCN1CC[C@](C)(NC(=O)CCn2ccnn2)C1 1754672759 NWUNGDRAOHLRLD-HNNXBMFYSA-N 305.382 -0.101 30 20 DBED C#CCNC(=O)CN(C)CCCN(C)C(=O)c1cc[n+]([O-])cc1 1755033104 JZIFNKGHMCJQQH-UHFFFAOYSA-N 318.377 -0.537 30 20 DBED COCC#CCN[C@@H](C)CN(C)C(=O)c1ccc2nnnn2c1 1755594596 COVLEPSTRVNUNI-LBPRGKRZSA-N 316.365 -0.176 30 20 DBED C=CCN[C@@H](C)CN(C)C(=O)Cn1ncn2nccc2c1=O 1755606176 IGFIWVZHLJAQQW-NSHDSACASA-N 304.354 -0.487 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2cncnc2C)[C@@H]1C 1755665290 PDMOYGGQUJHYBB-OCCSQVGLSA-N 315.377 -0.273 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@H](NCC(=O)NCC)C(C)(C)C1 1755759598 UZRKRFKVGNVUHM-OLZOCXBDSA-N 309.410 -0.013 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCOCCNC(=O)c1ccncn1 1756379674 FSPKJVWNNLISAW-NSHDSACASA-N 305.338 -0.159 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H](CO)CNC(=O)C1=CCOCC1 1756513373 GEOVSQGQXMMYDS-IUODEOHRSA-N 312.366 -0.747 30 20 DBED CC1(C)CN(S(=O)(=O)N[C@H](CCC#N)C(=O)O)CCO1 1776562293 WEIBEFFIRIKOKM-SECBINFHSA-N 305.356 -0.311 30 20 DBED C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(O)nc3)C2)C1 1780258943 SNMWWEBTOOTJQP-MRXNPFEDSA-N 315.329 -0.136 30 20 DBED CN(C)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC#N)[C@H]2C1 1786365244 FCWFYIQXIQOLEI-AVGNSLFASA-N 308.382 -0.559 30 20 DBED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](N)[C@@H](C)CC)[C@H]2C1 1786824675 MLMRFAURIDMTFR-YGJAXBLXSA-N 321.421 -0.027 30 20 DBED C[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncc[nH]1)C2 1800982753 RFRWVYJUFIKKHF-MMWGEVLESA-N 324.406 -0.069 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC1(O)CCC1 1801587716 QZKKPRKNAMXXFX-JJLQDPRZSA-N 306.362 -0.486 30 20 DBED C#CC(=O)N1CCC(N2CCC(NC(=O)[C@H](C)CN)CC2)CC1 1834664002 NUTXEPDZZDQIEH-CYBMUJFWSA-N 320.437 -0.214 30 20 DBED CN(CCC#N)S(=O)(=O)N1CCCN(S(C)(=O)=O)CC1 45805437 RGXXMUZYHTVBEE-UHFFFAOYSA-N 324.428 -0.956 30 20 DBED C=CCNC(=O)NC(=O)CN(CC=C)[C@@H]1CCS(=O)(=O)C1 66560406 ZMFSKDSWJLFEAN-LLVKDONJSA-N 315.395 -0.327 30 20 DBED C#CCNC(=O)CN(C)S(=O)(=O)c1ccc2c(c1)OCCO2 198324529 ORVXCHBJBCTTMV-UHFFFAOYSA-N 324.358 -0.172 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(O)(CC)CC2)C1=O 266200289 WCPFOKFSBKTCNM-UHFFFAOYSA-N 323.349 -0.273 30 20 DBED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)C(=O)OC)cc1 268477324 SHSZJDJDYNRVRI-SNVBAGLBSA-N 324.358 -0.111 30 20 DBED C=CCNC(=O)CNC(=O)N1C[C@H](N2CCOCC2)C[C@H]1C 287045163 TUBSKGPIJXUJFE-CHWSQXEVSA-N 310.398 -0.207 30 20 DBED C#CCN(C)CCCNC(=O)NCCn1cc(C(=O)OC)nn1 296775916 ZMBNGEFXIMZGRG-UHFFFAOYSA-N 322.369 -0.681 30 20 DBED COC[C@H](C)N/C(N)=N/C[C@H]1CCC[C@H]1NS(C)(=O)=O 305020607 NPIHESJDHHXHTJ-HBNTYKKESA-N 306.432 -0.357 30 20 DBED CNS(=O)(=O)CC/N=C(/O)N1CCC(NC(C)C)CC1 331306925 RWIKKXQDBUTNQP-UHFFFAOYSA-N 306.432 -0.088 30 20 DBED C=CCNC(=O)CNC(=O)N1CCS(=O)(=O)CC[C@@H]1C 332005773 PCHQPQPFLCUIPZ-JTQLQIEISA-N 303.384 -0.493 30 20 DBED COCCn1c(N)c(C(=O)Cn2ccnc2C#N)c(O)nc1=O 340541259 CBUIKFLWMPADIY-UHFFFAOYSA-N 318.293 -0.871 30 20 DBED C[C@H](NC(=O)C(=O)N1CCC(C#N)CC1)[C@@H](C)N1CCOCC1 343336579 OWVBIMUKUFRRMX-QWHCGFSZSA-N 322.409 -0.026 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)c2cccc(N)n2)CC1 345568193 ZZBDMKFTMXFRPL-UHFFFAOYSA-N 303.366 -0.276 30 20 DBED C[C@H]1CN(S(=O)(=O)NCCn2cnc(C#N)n2)[C@@H](C)CO1 352650746 ZEOPDZNTFJUMAM-UWVGGRQHSA-N 314.371 -0.907 30 20 DBED Cc1onc(CC(=O)N2CCN(C(=O)CN(C)C)CC2)c1C#N 354343962 FFUUUZTXZTXDKK-UHFFFAOYSA-N 319.365 -0.370 30 20 DBED C=C[C@H](CO)NC(=O)C(=O)Nc1ccc2c(c1)oc(=O)n2C 354689790 KWMJHNCNGSVHPA-MRVPVSSYSA-N 305.290 -0.267 30 20 DBED C[C@@H](CC#N)N(C)C(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 354916311 SFPGVYNCQHJPPZ-UONOGXRCSA-N 322.409 -0.072 30 20 DBED COc1ccc(C#N)cc1NC(=O)C(=O)N(C)[C@H]1COC[C@H]1O 356925361 QMYVOQSQFLUBKT-NWDGAFQWSA-N 319.317 -0.277 30 20 DBED COCC[C@@]1(NC(=O)NCCn2cnc(C#N)n2)CCOC1 357876612 JGIJIFMEMSJFMQ-CYBMUJFWSA-N 308.342 -0.355 30 20 DBED C[C@@H]1[C@@H](N2CCOCC2)CCN1C(=O)NCC(=O)NCC#N 359569980 KEUUFPMXYZUSQU-NEPJUHHUSA-N 309.370 -0.869 30 20 DBED C[C@@H]1CC(=NC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)NO1 378305123 GUYXBJDFELSPAI-VXGBXAGGSA-N 324.381 -0.594 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N(C[C@@H](O)CO)C(C)C 420760866 GMWCNRHHUDKRQY-NWDGAFQWSA-N 307.416 -0.224 30 20 DBED C=CCn1cc(CNC(=O)N(C)CCN2CCOCC2)nn1 425865130 ADCANSYMOPHSHL-UHFFFAOYSA-N 308.386 -0.062 30 20 DBED N#Cc1ccc(NC(=O)C(=O)N2CC[C@@H](S(N)(=O)=O)C2)cc1 440266905 MZMPZSCKWQSBAY-LLVKDONJSA-N 322.346 -0.614 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2ccc(COC)o2)CC1 491165942 OHMPKVXFGXRTJO-UHFFFAOYSA-N 319.361 -0.067 30 20 DBED C#CCNC(=O)CCN1CCCC[C@@H]1CNS(C)(=O)=O 491618804 BHIOSFNGBLSSEC-GFCCVEGCSA-N 301.412 -0.470 30 20 DBED COc1cc(F)c(S(=O)(=O)NCC(=O)NCC#N)c(F)c1 586775520 GIGFWIRKQPMEOG-UHFFFAOYSA-N 319.289 -0.109 30 20 DBED N#Cc1c[nH]cnc1=NCCS(=O)(=O)N1CCSCC1 591909445 QHJJQAYTJOXVHF-UHFFFAOYSA-N 313.408 -0.439 30 20 DBED N#Cc1cccc(NC(=O)NCc2cn(C[C@@H](O)CO)nn2)c1 594643255 GAMCRDJHHPRFNU-CYBMUJFWSA-N 316.321 -0.175 30 20 DBED C=C[C@H](CO)NS(=O)(=O)N1CCC[C@@H](C(=O)OCC)C1 595382078 CUUKPFDMPYJTFA-GHMZBOCLSA-N 306.384 -0.357 30 20 DBED COC(=O)C[C@@H](O)CNC(=O)C(=O)Nc1ccc(C#N)cc1 600058325 QDKOGNAJEIHSIC-LLVKDONJSA-N 305.290 -0.463 30 20 DBED COC(=O)c1ccn(CC(=O)N2CCN(CCC#N)CC2)n1 603263856 ZCRBDBZXQOECRN-UHFFFAOYSA-N 305.338 -0.272 30 20 DBED C=C[C@H](O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCN(C)C 612895360 BVQCNPFKAYALJC-GJZGRUSLSA-N 319.405 -0.061 30 20 DBED C=CCn1cc(C(=O)N[C@H](CC)C(=O)N2CCOCC2)nn1 648317804 MYMOUJAMVYYKSO-LLVKDONJSA-N 307.354 -0.169 30 20 DBED N#Cc1cc(NC(=O)C(=O)N2CCCNC(=O)C2)ccc1F 728406049 RYAPLWBOLSWJTJ-UHFFFAOYSA-N 304.281 -0.016 30 20 DBED NC(=O)CNC(=S)NN=C1C(=O)Nc2ccc([N+](=O)[O-])cc21 731929223 BTCZRPIOGPKAAF-UHFFFAOYSA-N 322.306 -0.800 30 20 DBED N#Cc1ccc(CNC(=O)CN2CCO[C@H](C(=O)O)C2)cc1 738432351 JWLIPWQNUWXWJY-ZDUSSCGKSA-N 303.318 -0.040 30 20 DBED C#CCOCCC(=O)N1CCC(O)(CN2CCOCC2)CC1 752741193 XTKNZAATYIUCQD-UHFFFAOYSA-N 310.394 -0.288 30 20 DBED C#CCOCCNC(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1 753232788 RYCJUPKTVUNMEB-LBPRGKRZSA-N 309.347 -0.518 30 20 DBED N#Cc1cccc(OCC(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)c1 759620717 DHZFMAFJCRSFHG-LBPRGKRZSA-N 314.301 -0.300 30 20 DBED C#C[C@H](NC(=O)C(=O)Nc1cncnc1N(C)C)[C@H]1CCCO1 773793950 HIZAPTORMTZWCW-CMPLNLGQSA-N 317.349 -0.222 30 20 DBED C#C[C@H](NCC(=O)N1CCC[C@H](NC(C)=O)C1)[C@@H]1CCCO1 775785966 UCMCGMHKBHSDNP-KKUMJFAQSA-N 307.394 -0.116 30 20 DBED C#C[C@@H](NC(=O)N1CCCS(=O)(=O)CC1)[C@@H]1CCCO1 776226658 HDHZRGIKPCJSFI-NEPJUHHUSA-N 300.380 -0.003 30 20 DBED CN(C[C@@H]1CCCN(CC(=O)NCCC#N)C1)S(C)(=O)=O 796128385 XDISGCDBDLUSGZ-LBPRGKRZSA-N 316.427 -0.380 30 20 DBED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1cc(C(N)=O)ccc1F 799287658 RKXQBCLFYJQXPD-SNVBAGLBSA-N 321.308 -0.246 30 20 DBED C#Cc1cccc(CNC(=O)C(=O)NCCN(C)CCOC)c1 817813110 CCIHIGIAAXJKCJ-UHFFFAOYSA-N 317.389 -0.022 30 20 DBED C#CCN1CCN(C(=O)CN(CCOC)CCC(=O)O)CC1 825619013 JKIRRQFYLFANAB-UHFFFAOYSA-N 311.382 -0.813 30 20 DBED CN(C)C(=O)COc1ccccc1C(=O)N[C@@H]1CNC[C@H]1C#N 834517771 YZXQWBHIWAUWAN-DGCLKSJQSA-N 316.361 -0.005 30 20 DBED COCCN(CCC#N)S(=O)(=O)NCCOC(=O)C1CC1 841534742 ORFDQEDOFBZMTM-UHFFFAOYSA-N 319.383 -0.364 30 20 DBED C=C[C@@H](C)ONC(=O)N1CCN(CC(=O)NCCOC)CC1 845631694 SCXZQNUBDFHEQM-GFCCVEGCSA-N 314.386 -0.418 30 20 DBED CC1=C(C(=O)N[C@H]2CCCN(O)C2=O)S(=O)(=O)CCO1 848135918 JFSKOBHUIKEORU-QMMMGPOBSA-N 304.324 -0.841 30 20 DBED C#CC[C@@H](CO)NC(=O)[C@H](C)N1C(=O)NC2(CCCC2)C1=O 854547620 XAWFPSLUCKLMPI-QWRGUYRKSA-N 307.350 -0.260 30 20 DBED C=CCCONC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 856030123 PUSFQCOJTQKJMV-MNOVXSKESA-N 316.379 -0.354 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CC[C@H](C)[C@@H](CO)C1)[C@@H]1CCCO1 857086855 YKIOWMLYNQXDDQ-CRWXNKLISA-N 308.378 -0.240 30 20 DBED C#CCN1CCC(C(=O)NCCCS(=O)(=O)NC)CC1 863432315 WECIOSGTRDHCQW-UHFFFAOYSA-N 301.412 -0.613 30 20 DBED C[C@H]1C[C@H](NC(=O)C(=O)N2CCN(CCC#N)CC2)CCN1 884717708 JUHWBKOIZYVTLJ-QWHCGFSZSA-N 307.398 -0.699 30 20 DBED C#CC1(O)CN(C(=O)c2cn(CC(OCC)OCC)nn2)C1 890521697 PIGXSOUOPHYEMU-UHFFFAOYSA-N 308.338 -0.503 30 20 DBED O=C(NCC#CCO)NCCn1cc(Br)cn1 923770600 ZNQMLWMIGLYUBP-UHFFFAOYSA-N 301.144 -0.060 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccn(C)c(=O)c1 937514996 AUMJCNHMEKQLPN-WXHSDQCUSA-N 314.345 -0.030 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)[C@H]3COCCO3)C2)[nH]1 937841330 ZUYDFJFXARXMOE-WCQYABFASA-N 318.333 -0.368 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCN(CC(N)=O)C[C@H]2C)nn1 943480922 HBIHYIJDVWRAIN-MNOVXSKESA-N 306.370 -0.610 30 20 DBED COc1cc(C(=O)NC[C@@H]2CN(C(=O)[C@@H](C)C#N)CCO2)on1 944557475 WTYGFHMASMBJHV-VHSXEESVSA-N 322.321 -0.200 30 20 DBED C=CCCn1cc(C(=O)NC[C@H]2CN(C(C)=O)CCO2)nn1 944610145 JDCOJGOUBWHFCR-LBPRGKRZSA-N 307.354 -0.169 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)CC[C@@H]1NC(=O)c1nnn(C)n1 945311525 JEPAMJLKNVAZKB-PWSUYJOCSA-N 316.365 -0.410 30 20 DBED O=C1C[C@@H](C(=O)NC[C@@H]2CCN2C(=O)C#CC2CC2)CCN1 949351987 HBQAHQHRXDHMMG-STQMWFEESA-N 303.362 -0.357 30 20 DBED CN1CCOC[C@@H]1C(=O)N[C@@H]1CCCN(C(=O)C#CC2CC2)C1 950759606 UDTPISISONUHPM-HUUCEWRRSA-N 319.405 -0.162 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2CCN2C(=O)Cn2cncn2)cn1 951385511 FZMLUUUWBJNRJV-AWEZNQCLSA-N 324.344 -0.315 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(N(C)C(=O)[C@H]2C[C@H]2C(N)=O)CC1 954707814 IWIRTMFZQNJEOT-WCQGTBRESA-N 306.366 -0.283 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@](C)(NC(=O)c2nccnc2N)C1 956778103 DSIODRARNAJVHF-XPTSAGLGSA-N 302.338 -0.061 30 20 DBED C#CCCN1C[C@@H](O)[C@@H](CNC(=O)c2cncc(OC)n2)C1 958462922 IWBYXAJVQJHRIQ-WCQYABFASA-N 304.350 -0.469 30 20 DBED C[C@@H](NC(=O)c1cc(C#N)c[nH]1)[C@@H]1CCN(C(=O)C(N)=O)C1 959259061 ZGAQLTLXODOEDO-PSASIEDQSA-N 303.322 -0.662 30 20 DBED C#CCCN1C[C@@H]2C(NC(=O)Cc3ccc(C(N)=O)nc3)[C@H]2C1 960561584 UYAXJSFYULMOCH-STQMWFEESA-N 312.373 -0.207 30 20 DBED CCCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)cn1 963179882 YUACFDPCPHGFQB-UHTWSYAYSA-N 319.365 -0.246 30 20 DBED CN(C[C@H]1CCN1C(=O)C#CC1CC1)C(=O)[C@H]1CCNC(=O)C1 977559523 SWMRRIGPXWHMAY-UONOGXRCSA-N 317.389 -0.015 30 20 DBED CN(C[C@H]1CCN1C(=O)c1cnn[nH]1)C(=O)c1c[nH]c(C#N)c1 977579094 BSHKSAGJFYTHEU-LLVKDONJSA-N 313.321 -0.009 30 20 DBED C#CCN1C[C@H]2[C@H](CNC(=O)c3c(C)c(C)nn(C)c3=O)[C@H]2C1 978559505 IUHLBXKMHCCHEB-ZSOGYDGISA-N 314.389 -0.062 30 20 DBED Cn1nnc2c1C[C@H](C(=O)NCC1[C@H]3CN(CC#N)C[C@H]13)CC2 978649148 FJQYMIBVMVYNNZ-RAIGVLPGSA-N 314.393 -0.262 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1[C@@H]2CN(CC(=O)NC)C[C@H]12 978724021 YTDAJCHEWMWUIN-POQQGIQPSA-N 307.394 -0.383 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCC1[C@H]2CN(CC(=O)NC)C[C@H]12 978724066 YTDAJCHEWMWUIN-ZRJCITRHSA-N 307.394 -0.383 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@H](CNC(=O)c3cnn[nH]3)C2)[nH]1 982649171 SLMYDRXINQUTGE-SECBINFHSA-N 313.321 -0.103 30 20 DBED C#CCN[C@H]1C[C@H](C)N(C(=O)c2ccc(S(N)(=O)=O)o2)C1 989096678 YROVQJHFIZKLMK-UWVGGRQHSA-N 311.363 -0.247 30 20 DBED C=CCn1cc(C(=O)NC2CN(C(=O)Cc3cnoc3)C2)nn1 991693219 LLOHPXATESNPFX-UHFFFAOYSA-N 316.321 -0.365 30 20 DBED C#CCN1CCC[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)[C@@H]1C 993410505 HDIIVHUSYCUIGA-QWHCGFSZSA-N 318.377 -0.851 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)Cc2ccc(C(N)=O)nc2)C1 994881860 GMUOYKHWKIUSCD-VIFPVBQESA-N 315.333 -0.790 30 20 DBED Cc1nc2nccc(C(=O)NC3CN(C(=O)[C@@H](C)C#N)C3)n2n1 996388633 WWYDZPGZBVGJJX-QMMMGPOBSA-N 313.321 -0.467 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnn[nH]3)C2)C1 1007672644 DAFGKHZEWWELRQ-QMTHXVAHSA-N 318.337 -0.592 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)C1 1015786057 GOESCXUBFRVSLC-SNVBAGLBSA-N 308.338 -0.826 30 20 DBED C=CCN1CCC2(CC1)C[C@@H]2NC(=O)CN1CCNC(=O)C1 1016762181 XCCOXJNMRKYTNG-ZDUSSCGKSA-N 306.410 -0.425 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCN(C(=O)C[C@@H]3CCNC3=O)C2)C1 1019364731 LAMZGUUPUSNTIC-NEPJUHHUSA-N 318.377 -0.267 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@H]2OCCN(C(=O)CC(N)=O)[C@H]2C1 1019908466 QJNHXXNZJAIPBZ-NWDGAFQWSA-N 323.393 -0.098 30 20 DBED Cc1ncc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2O)s1 1023172335 RPXTWNSXHYGQMC-SZEHBUNVSA-N 308.363 -0.087 30 20 DBED C=CCN1[C@H]2CC[C@H]1CN(C(=O)CN1CCN(C)C(=O)C1)C2 1029370262 XPTLXPTVIVUYSU-KBPBESRZSA-N 306.410 -0.378 30 20 DBED COc1ccc2ncc(C(=O)NCC3CN(CC#N)C3)n2n1 1031779170 MAQIQVBVXALYCI-UHFFFAOYSA-N 300.322 -0.077 30 20 DBED C#CCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(S(N)(=O)=O)o1 1032496654 MSELIPQDHVFHMT-UWVGGRQHSA-N 309.347 -0.541 30 20 DBED C[C@@H]1CN(C(=O)c2cn(C)c(=O)n(C)c2=O)CC[C@H]1NCC#N 1036205449 XDLMOUCPIGSXHE-ZYHUDNBSSA-N 319.365 -0.952 30 20 DBED C#CCN1CC[C@@H]1CNC(=O)c1nc(C)n(-c2nc[nH]n2)n1 1038574892 IDLVPCTUQJFZAQ-SNVBAGLBSA-N 300.326 -0.869 30 20 DBED C=CCN1CC[C@H](N2CC[C@H]2CNC(=O)c2cnon2)C1=O 1038850879 WMKSLZBTUOWJKW-JQWIXIFHSA-N 305.338 -0.339 30 20 DBED CCc1nc(C#N)cc(N2C[C@@H](NC(=O)C(N)=O)CC[C@H]2C)n1 1039800037 AQGZDZZTXBSFDV-ZJUUUORDSA-N 316.365 -0.131 30 20 DBED C=CCCn1cc(C(=O)NC[C@@]2(O)CCN(C(C)=O)C2)nn1 1039829944 AQRFKDUJMWFPKS-AWEZNQCLSA-N 307.354 -0.433 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)COCC(F)F)C1 1040766868 SULWIQKDPLJXEX-ZANVPECISA-N 319.308 -0.493 30 20 DBED C#CCN1CC[C@@]2(CCN(C(=O)CN3CC(=O)N(C)C3=O)C2)C1 1041786063 RMUYCRRPMRGDHR-MRXNPFEDSA-N 318.377 -0.562 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)c2cnc(C)n2C)C1 1042043919 VRLBUQCXILYZCE-UHFFFAOYSA-N 322.365 -0.766 30 20 DBED C#CCN1CC[C@H]2CCN(C(=O)C3CC(=O)NC(=O)C3)C[C@@H]21 1042268397 CSYFOHSMRNWTRQ-AAEUAGOBSA-N 303.362 -0.405 30 20 DBED CCn1cc(C(=O)N2CC(O)(CNC(=O)C#CC(C)C)C2)nn1 1042938251 SLZUMLBSUBIESJ-UHFFFAOYSA-N 319.365 -0.740 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CO[C@H](C)C2)C1 1043037012 XAEQBHLWXVCTRU-OLZOCXBDSA-N 324.377 -0.859 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)C2(C)CC2)C1 1043384242 FAQZVYSPKSYDHC-ZDUSSCGKSA-N 319.405 -0.426 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)[C@]2(CC)CCNC2=O)C1 1043659693 SWHPVFSNKPNRRT-MRXNPFEDSA-N 323.393 -0.442 30 20 DBED C=CCn1cc(C(=O)N(C)C2CN([C@@H](C)C(=O)N(C)C)C2)nn1 1044022321 KXCSISBMHHEOML-NSHDSACASA-N 320.397 -0.303 30 20 DBED C#CCCCCCC(=O)NCC1(O)CN(C(=O)CC(N)=O)C1 1044470458 ORZABOWXESUWMV-UHFFFAOYSA-N 309.366 -0.865 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]2C)C1 1044508166 CHNYERRHWJFVJH-LPWJVIDDSA-N 308.378 -0.077 30 20 DBED C=CCCO[C@H](C)C(=O)N1CC(O)(CNC(=O)c2nc[nH]n2)C1 1044771216 SUXVPIBFVRZUTO-SNVBAGLBSA-N 323.353 -0.911 30 20 DBED N#CCN1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2COCCO2)C1 1046918993 MXLSKQATWRQSTH-QWRGUYRKSA-N 303.309 -0.001 30 20 DBED C=CCCO[C@H](C)C(=O)N(C)[C@H]1CN(C(=O)COC)C[C@@H]1O 1048500691 QGHUYISGTOCOMK-AGIUHOORSA-N 314.382 -0.356 30 20 DBED CC(=O)NC(C)(C)C(=O)N(C)[C@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1O 1049085561 VWLCQNIYLLZNSU-DLOVCJGASA-N 324.381 -0.909 30 20 DBED CCn1ccc(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)C#N)C2)n1 1049401154 BWXDPBSHZDJJCV-WXHSDQCUSA-N 319.365 -0.294 30 20 DBED Cn1cnc2cncc(C(=O)NC[C@@H]3COCCN3CC#N)c21 1050960431 IXOBECHQSZFIPU-LLVKDONJSA-N 314.349 -0.078 30 20 DBED CC#CCN1CCOC[C@@H]1CNC(=O)[C@H]1CCN(C(C)=O)C1 1051225125 FCMVSYRZCDNGMZ-GJZGRUSLSA-N 307.394 -0.305 30 20 DBED COc1ccc(C(=O)NC[C@H]2CCC3(CN(CC#N)C3)O2)nn1 1053683540 SOTANGSCDDPYSW-LLVKDONJSA-N 317.349 -0.028 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)c3ccc(N(C)C)nn3)CO2)C1 1053985058 KKMPRTSOMQSVQT-GFCCVEGCSA-N 315.377 -0.251 30 20 DBED Cn1nncc1C(=O)N[C@H]1[C@@H]2CN(c3ccc(C#N)nc3)C[C@@H]21 1056194720 OLTMXWVKTXYBGO-IMRBUKKESA-N 309.333 -0.054 30 20 DBED N#Cc1nccc(N2C[C@H]3[C@H](NC(=O)Cc4nc[nH]n4)[C@H]3C2)n1 1056298013 SAXXPGNWBMKVEB-QRJZZWFUSA-N 310.321 -0.740 30 20 DBED CN1CCO[C@H](C(=O)N2CC[C@@H](Nc3ccc(C#N)nn3)C2)C1 1056599966 WNWFGRRLSJLUFB-OLZOCXBDSA-N 316.365 -0.308 30 20 DBED C#CCCCC(=O)N1CCC[C@H]2CN(C(=O)CNC(N)=O)C[C@H]21 1056654342 OGBPOSWJHNEJSR-QWHCGFSZSA-N 320.393 -0.092 30 20 DBED N#Cc1nc(=N[C@@H]2CCN(C(=O)C[C@H]3CCC(=O)N3)C2)cc[nH]1 1056663529 JNUXLZJNJLGANK-GHMZBOCLSA-N 314.349 -0.548 30 20 DBED C#CCN1CCC(C(=O)NCCN(CCO)C(=O)C(C)C)CC1 1057009912 NJRYHTIPGCADPT-UHFFFAOYSA-N 323.437 -0.075 30 20 DBED C#CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)C1CC=CC1 1057256349 CLKUDNQMKQQVBU-ZDUSSCGKSA-N 308.378 -0.072 30 20 DBED CN(C)CCC(=O)NCCN(CCO)C(=O)c1cc(C#N)c[nH]1 1057291785 QDKRZXZTNWKCCR-UHFFFAOYSA-N 321.381 -0.611 30 20 DBED Cn1nnc(C(=O)N2CCC(Nc3cnc(C#N)cn3)CC2)n1 1057404999 GXMCTIIWPUMDGO-UHFFFAOYSA-N 313.325 -0.412 30 20 DBED N#Cc1nc(=N[C@@H]2CCCN(C(=O)Cc3nc[nH]n3)C2)cc[nH]1 1057691439 UQGSVESZVYBUDO-SNVBAGLBSA-N 312.337 -0.466 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)[C@@H]1CCN(C)[C@@H]1C 1057739774 OTRMWYGOOHGEJO-JHJVBQTASA-N 310.398 -0.577 30 20 DBED N#Cc1nccc(N2CC[C@H](NC(=O)C3=COCCO3)C2)n1 1058276942 UEHULPWZHCGWEL-JTQLQIEISA-N 301.306 -0.069 30 20 DBED C#CCO[C@H](C)C(=O)NCCN(CCO)C(=O)Cc1ccco1 1058518909 LXHXUUXMYINBLF-CYBMUJFWSA-N 322.361 -0.203 30 20 DBED N#Cc1cnc(N[C@H]2CCN(C(=O)[C@H]3CCNC(=O)C3)C2)cn1 1058872628 XKDVFXVLGVIWAE-QWRGUYRKSA-N 314.349 -0.113 30 20 DBED N#Cc1nccnc1N[C@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 1059019687 DGHTZBXXBYEENJ-VHSXEESVSA-N 300.322 -0.503 30 20 DBED N#Cc1cnc(N2CC[C@@H]3[C@H](CCCN3C(=O)C(N)=O)C2)cn1 1059540120 KTXQKPJUJQCSIR-ZYHUDNBSSA-N 314.349 -0.349 30 20 DBED N#Cc1nccnc1NC[C@@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 1060865324 PCAADRZTBWTFOE-GXSJLCMTSA-N 316.321 -0.283 30 20 DBED C=CCCC(=O)NC[C@@H]1COCCN1C(=O)[C@H](C)NC(N)=O 1061406135 HFPOVDBGJGGLQJ-WDEREUQCSA-N 312.370 -0.647 30 20 DBED C=CCOCC(=O)NC[C@H]1COCCN1C(=O)C1=CCOCC1 1061423696 MIZCBANIMMQZBZ-AWEZNQCLSA-N 324.377 -0.121 30 20 DBED C[C@H](CC(N)=O)C(=O)N1CCOC[C@H]1CNC(=O)C#CC1CC1 1061573781 YBVCJJWRWLSKRM-DGCLKSJQSA-N 321.377 -0.745 30 20 DBED C#CCOCCC(=O)NC[C@@H]1COCCN1C(=O)c1cnon1 1061585120 RFXFBXRYKDHMRM-LLVKDONJSA-N 322.321 -0.933 30 20 DBED C#CCO[C@@H](C)C(=O)NC1(CNC(=O)[C@H](C)NC(C)=O)CCC1 1062462386 XFTJSIXTDCEOEE-RYUDHWBXSA-N 323.393 -0.296 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(NC(=O)c2ncn(C)n2)CCC1 1062869962 PRMIQGKIDIECRS-AWEZNQCLSA-N 321.381 -0.089 30 20 DBED C=CCCOCC(=O)NCC1(NC(=O)[C@@H]2CNC(=O)N2)CCC1 1063422425 IDGVNSRIHZZPON-NSHDSACASA-N 324.381 -0.584 30 20 DBED Cn1ncc(C(=O)NCC2(NC(=O)CSCC#N)CCC2)n1 1063642142 VPZYQEWXEJLUIF-UHFFFAOYSA-N 322.394 -0.159 30 20 DBED Cn1nncc1C(=O)N[C@@H]1[C@H]2C[C@H]1N(c1nccnc1C#N)C2 1064250585 HHWBGGJHIASCEM-MKPLZMMCSA-N 310.321 -0.516 30 20 DBED C=CCO[C@H](C)C(=O)NC1(CNC(=O)[C@H]2CNC(=O)N2)CCC1 1064270230 HSAMFAOWYYUVHB-GHMZBOCLSA-N 324.381 -0.586 30 20 DBED Cn1nncc1C(=O)N1C[C@@H]2CN(c3ccnc(C#N)n3)C[C@@H]2C1 1065998081 WUBILNTYPSDDKG-PHIMTYICSA-N 324.348 -0.315 30 20 DBED N#Cc1nccnc1N1C[C@@H]2CC[C@H](NC(=O)C(N)=O)C[C@H]2C1 1068264472 DQCLFYIDPZSRDQ-DCAQKATOSA-N 314.349 -0.445 30 20 DBED C=CCCC(=O)N1CCOC2(C1)CN(C(=O)[C@H]1COCCO1)C2 1068343610 AWHIRDXSABZVTB-CYBMUJFWSA-N 324.377 -0.192 30 20 DBED C=C(C)C(C)(C)C(=O)NC[C@@H]1CCC2(CN(C(=O)C(N)=O)C2)O1 1068600112 BFZOWDUGUWSPRT-NSHDSACASA-N 323.393 -0.050 30 20 DBED N#Cc1cncc(N2CC[C@@]3(NC(=O)C(N)=O)CCC[C@@H]23)n1 1069281756 BJCGPVPPADPAMG-YGRLFVJLSA-N 300.322 -0.549 30 20 DBED C#CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2[nH]cnc2C)C1 1070111586 PQINQHJSUJKUPW-OLZOCXBDSA-N 313.365 -0.012 30 20 DBED N#CCN1C[C@H]2C[C@H]3CN(C(=O)C[C@H]4CCNC4=O)C[C@@]3(C1)O2 1070807986 OOXAFAVLMCMHAB-OQMKEHIESA-N 318.377 -0.662 30 20 DBED N#CCN1CCCO[C@@H](CNC(=O)c2cc3n(n2)CCO3)C1 1073636946 LNUSYVMIRCVPKK-NSHDSACASA-N 305.338 -0.380 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(C(=O)c2cnn(C)n2)C[C@@H]1C 1073820889 XQTIMOGOAIONAM-RYUDHWBXSA-N 321.381 -0.016 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)c3cc(C(N)=O)c[nH]3)C[C@H]21 1074368331 FDYFYOVCYCISQF-KGLIPLIRSA-N 316.361 -0.338 30 20 DBED C=CCCC(=O)NCC1(O)CCN(C(=O)c2cnn[nH]2)CC1 1074637840 OCKCVUOPTVRNMJ-UHFFFAOYSA-N 307.354 -0.146 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)C1=COCCC1 1075888940 IOTCAQVZOUGAGQ-LBPRGKRZSA-N 321.377 -0.169 30 20 DBED C#CCOCCC(=O)N[C@@H](C)CCNC(=O)[C@@H](C)CC(N)=O 1077726518 QLHAGQYYNGFDEQ-RYUDHWBXSA-N 311.382 -0.451 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)c1nccs1 1078015056 ZXLKBPIFPRMMFK-JTQLQIEISA-N 322.390 -0.093 30 20 DBED CCN(C(=O)C#CC(C)C)C1CN(C(=O)[C@@H]2CN(C)C(=O)N2)C1 1079732523 FHHAATIAJZFGBB-ZDUSSCGKSA-N 320.393 -0.271 30 20 DBED C=CCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)[C@H]2CNC(=O)N2)C1 1079981587 VJDCAYHRCBZZIZ-CMPLNLGQSA-N 324.381 -0.682 30 20 DBED C#CCCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)Cn2cccn2)C1 1081253401 GFLRXPLCIMXCAN-ZIAGYGMSSA-N 318.377 -0.378 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)c2cn(C)cn2)C[C@H]1O 1081336532 ZSYOTJDLEBMFPN-DGCLKSJQSA-N 306.366 -0.065 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2ccc[nH]2)C[C@@H]1O 1081343411 BUTWJTQIWBEKLN-YPMHNXCESA-N 307.350 -0.234 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)c2ccnnc2)C[C@@H]1O 1081465099 BIDYKKHDQPVQSU-KBPBESRZSA-N 316.361 -0.315 30 20 DBED Cc1nn[nH]c1C(=O)N1C[C@H](CNC(=O)C#CC2CC2)[C@@H](O)C1 1081474678 STLJMKWIBYBOIS-RYUDHWBXSA-N 317.349 -0.924 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1ncccc1NC(C)=O 1081778483 ZXZUAIOTSSXEFT-CHWSQXEVSA-N 317.349 -0.007 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H]1CCCCN1C(=O)CC(=O)NC 1082027606 OSBXYYPBMACLGP-STQMWFEESA-N 323.393 -0.342 30 20 DBED N#CCN1CC[C@@H]2CN(C(=O)c3coc(S(N)(=O)=O)c3)[C@@H]2C1 1084462480 PSJBYANPAPXEFY-MWLCHTKSSA-N 324.362 -0.403 30 20 DBED N#CCN[C@H]1C[C@H](CNC(=O)[C@H]2CCc3nnnn3CC2)C1 1086483946 BMRHJEMSYSYBLP-SRVKXCTJSA-N 303.370 -0.366 30 20 DBED C#CCN1CCC[C@@H]2[C@H](NC(=O)Cn3ncnn3)C(C)(C)[C@@H]21 1087286744 WKYXYWQNHSQRLA-KWCYVHTRSA-N 302.382 -0.089 30 20 DBED CC1(C)CC[C@@H](CNC(=O)[C@@H]2CC(=O)NC(=O)N2)N(CC#N)C1 1089704918 ZOPGIBZNUPUNQA-QWRGUYRKSA-N 321.381 -0.285 30 20 DBED CNC(=O)CC(=O)N1CC[C@H](Nc2cnc(C#N)cn2)[C@@H]1C 1090211438 LQHRTCNUQYBZLN-ONGXEEELSA-N 302.338 -0.114 30 20 DBED N#CCN1CC[C@H](NC(=O)CN2CCCCCCC2=O)[C@H](O)C1 1090311742 XSYVGPBFMFAOLY-UONOGXRCSA-N 322.409 -0.146 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2cnc3[nH]c(O)nc3c2)[C@@H](O)C1 1090377898 MGIKWXQFOWYJSA-KOLCDFICSA-N 316.321 -0.648 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2cc(CN(C)C)on2)[C@H](O)C1 1090383016 WCQUWIPCMCGADF-UKRRQHHQSA-N 320.393 -0.076 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2ccoc2CC(N)=O)[C@@H](O)C1 1090520610 QMJIRTRASWKPRK-OLZOCXBDSA-N 319.361 -0.504 30 20 DBED C=CCCN1CC[C@H](NC(=O)c2ccc(C(N)=O)[nH]2)[C@@H](O)C1 1090574373 RWVGHLWADCFYJZ-GWCFXTLKSA-N 306.366 -0.145 30 20 DBED CC(C)[C@@H](O)C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1091091993 SWDFCSAGWIHLAO-NTZNESFSSA-N 305.338 -0.969 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1091118287 GUGAOWUGGFYRAA-OLZOCXBDSA-N 317.349 -0.393 30 20 DBED CC(=O)NCC[C@@H]1CN(c2ccnc(C#N)n2)CCS1(=O)=O 1091303611 PTFOEYMKMJKQQR-LLVKDONJSA-N 323.378 -0.522 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1C[C@H](Nc2nccn3nnnc23)C1 1091444835 JLKSOXOFCSJKDA-OPRDCNLKSA-N 300.326 -0.014 30 20 DBED CN(CCCCCCN=c1cc[nH]c(C#N)n1)C(=O)C(N)=O 1091747939 RPOALBYEZYMWNV-UHFFFAOYSA-N 304.354 -0.314 30 20 DBED CN(C)C(=O)CC(=O)N1CCN(c2nccnc2C#N)CC1 1093200635 UYHAYBADPBXSFB-UHFFFAOYSA-N 302.338 -0.525 30 20 DBED C=CCN1CC(OC2CCN(C(=O)CCn3cnnn3)CC2)C1 1093588053 GHWJKODYBDCFQC-UHFFFAOYSA-N 320.397 -0.059 30 20 DBED CN1C(=O)CCC[C@@H]1C(=O)NCCNc1nccnc1C#N 1093786449 YKRDEIJSHWSGNO-LLVKDONJSA-N 302.338 -0.113 30 20 DBED CN(CC(=O)NCCNc1ccc(C#N)nc1)S(C)(=O)=O 1094188787 OBDSRGSVLZBCOM-UHFFFAOYSA-N 311.367 -0.627 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)[C@H]3CCCOC3)CC2=O)C1 1094711057 AFJXSLITUCSORZ-STQMWFEESA-N 305.378 -0.553 30 20 DBED CCc1nc(C#N)cc(NCCCNC(=O)[C@@H]2CNC(=O)N2)n1 1094752101 WQDONGKQFKQODM-JTQLQIEISA-N 317.353 -0.490 30 20 DBED N#CCN1CC(N2C[C@@H](NC(=O)Cc3ccc[nH]3)CC2=O)C1 1094818377 ANKKYGWLTALUMJ-LBPRGKRZSA-N 301.350 -0.518 30 20 DBED CN1C[C@@H](C(=O)NCCCN(C)c2nccnc2C#N)NC1=O 1095696788 MJTXFSSHWDCRBS-NSHDSACASA-N 317.353 -0.686 30 20 DBED C[C@@H](C#N)C(=O)NCCN1CCN(c2cncc(C#N)n2)CC1 1096278482 UIEBIUQYGRWGMG-LBPRGKRZSA-N 313.365 -0.254 30 20 DBED C=CCO[C@H](C)C(=O)N[C@H]1CCN(c2nccn3nnnc23)C1 1096393308 KNNXHJAYWCEFPM-MNOVXSKESA-N 317.353 -0.195 30 20 DBED N#Cc1ccc(N[C@H](CNC(=O)C2(C(N)=O)CC2)C2CC2)nn1 1096794705 CPQYYLPFCFSIOX-LLVKDONJSA-N 314.349 -0.080 30 20 DBED C[C@H](CNC(=O)CN1CCOCC1)N=c1cc[nH]cc1C#N 1097783803 PYFPKPHQWHWONV-GFCCVEGCSA-N 303.366 -0.376 30 20 DBED C[C@@H](CNC(=O)CN1CCOCC1=O)N=c1cc[nH]cc1C#N 1098356687 SIRPTYMLHIOVEA-NSHDSACASA-N 317.349 -0.849 30 20 DBED C#CCNC(=O)CN(CCO)C1CCN(C(=O)[C@H]2C[C@@H]2C)CC1 1098453561 YJTIPMHLNZKKMT-ZFWWWQNUSA-N 321.421 -0.323 30 20 DBED N#CCN(CCO)C1CCN(C(=O)C23CCN(CC2)C3)CC1 1098534797 GJAMTMPTIPNGJS-UHFFFAOYSA-N 306.410 -0.109 30 20 DBED CC#CCNCc1cn([C@@H]2CCN(C(=O)c3cnn[nH]3)C2)nn1 1098687779 DEYHITUXFMAJAQ-GFCCVEGCSA-N 314.353 -0.404 30 20 DBED N#CCNCc1cn([C@H]2CCN(C(=O)c3ccncn3)C2)nn1 1098750931 FPCOZBUXYCNBBT-LBPRGKRZSA-N 312.337 -0.232 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)c2cnc(C)[nH]2)[C@@H](O)C1 1099728113 VUWFCBCFZDNKSP-AAEUAGOBSA-N 321.381 -0.815 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2cccc(O)n2)[C@H](O)C1 1099754923 KADLYYCIGQXAQG-TZMCWYRMSA-N 319.361 -0.398 30 20 DBED C=CCCCN1CC[C@H](NC(=O)c2cn(C)c(=O)cn2)[C@@H](O)C1 1099924277 RBJANMXSBOQYPN-JSGCOSHPSA-N 320.393 -0.089 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CS(=O)(=O)CCC)[C@H](O)C1 1100114781 SXDZYLFFZZXGJQ-CHWSQXEVSA-N 316.423 -0.614 30 20 DBED CN(CCNC(=O)[C@@H]1CCCCC(=O)N1)c1cncc(C#N)n1 1100320218 RQJCAQLWIIAOSP-LBPRGKRZSA-N 316.365 -0.041 30 20 DBED C=CCNC(=O)CNC1CC(CNC(=O)c2cccnn2)C1 1100776041 TYKUEOHPFLNSHE-UHFFFAOYSA-N 303.366 -0.123 30 20 DBED CN(CCNc1ccc(C#N)nn1)C(=O)[C@H]1CCCS1(=O)=O 1101642211 SWIBZNURDJMDLC-LLVKDONJSA-N 323.378 -0.204 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)[C@H](O)C(C)C)C1 1101936029 ZAMYNUBYZBTBMI-UMVBOHGHSA-N 309.410 -0.563 30 20 DBED C#CCCN1C[C@@H](C)[C@H](CNC(=O)C[C@@H]2NC(=O)NC2=O)C1 1102057451 NJKXUHHUCRSAFV-UTUOFQBUSA-N 306.366 -0.708 30 20 DBED CC(=O)N[C@H](C)C(=O)N(C)[C@@H]1CCN(c2cncc(C#N)n2)C1 1102667947 AQGTULCPWMOFSB-ZWNOBZJWSA-N 316.365 -0.090 30 20 DBED N#CCNCc1cn(C2CN(C(=O)CCn3cccn3)C2)nn1 1105163041 YFUVRZMUXGVNGX-UHFFFAOYSA-N 314.353 -0.439 30 20 DBED C=C(C)CNCc1cn(C2CN(C(=O)c3cnn[nH]3)C2)nn1 1105276168 BALQBBLKMGTYNQ-UHFFFAOYSA-N 302.342 -0.241 30 20 DBED C#CCCNCc1cn(C2CN(C(=O)c3nonc3C)C2)nn1 1105382414 HTHPEAHMYBJCOA-UHFFFAOYSA-N 315.337 -0.220 30 20 DBED COC[C@@H](OC)C(=O)N1CCC(OC2CN(CC#N)C2)CC1 1105724381 ZSNSLLRLHWWIRT-CQSZACIVSA-N 311.382 -0.137 30 20 DBED N#CCN1CC(OC2CCN(C(=O)CCNC(N)=O)CC2)C1 1105733702 KGTQHYOBVVIZAF-UHFFFAOYSA-N 309.370 -0.740 30 20 DBED CO[C@@H](C(=O)NC[C@H](O)CNc1cnc(C#N)cn1)C1CC1 1105832462 CXFYLEIAKKNJQW-DGCLKSJQSA-N 305.338 -0.338 30 20 DBED Cc1ncc(CC(=O)NC[C@@H](O)CNc2cncc(C#N)n2)o1 1106004079 LNCOFKSVHHBXGV-NSHDSACASA-N 316.321 -0.224 30 20 DBED Cc1nsc(NC[C@@H](O)CNC(=O)[C@@H]2CCNC2=O)c1C#N 1106051894 OFUPQOGCYKOOIP-DTWKUNHWSA-N 323.378 -0.652 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)C2CN(C(C)=O)C2)C[C@H]1C 1106056575 XTSUUVBJIXFWBM-UKRRQHHQSA-N 321.421 -0.201 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H](O)CNC(=O)C1(F)CCOCC1 1106150613 YXXLHYUYGKIIEO-LBPRGKRZSA-N 322.340 -0.217 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)Cn2c(O)nnc2O)C[C@H]1C 1106925566 LOVFALIRGJGDKE-GHMZBOCLSA-N 307.354 -0.603 30 20 DBED CN1CCO[C@@H](C(=O)NC/C=C/CNc2cnc(C#N)cn2)C1 1107094303 YRJNLJHBJMFZGZ-YWVDXFKGSA-N 316.365 -0.237 30 20 DBED C#CCNC(=O)[C@H](C)N1CCO[C@](C)(CNC(=O)C(C)C)C1 1107750609 WAWIXHGACGJQKE-XJKSGUPXSA-N 309.410 -0.013 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@]1(C)CN(CC(=O)N2CCCC2)CCO1 1107819660 SRDOAMQXYGZHFE-BBRMVZONSA-N 322.409 -0.024 30 20 DBED C[C@H](C#N)C(=O)NC[C@]1(C)CN(CCN2CCCC2=O)CCO1 1107821043 IBUYVGJCVHWSBD-CZUORRHYSA-N 322.409 -0.024 30 20 DBED C[C@@]1(CNC(=O)COC[C@@H]2CCOC2)CN(CC#N)CCO1 1108253528 LPLPHNZMPQYVRG-UKRRQHHQSA-N 311.382 -0.230 30 20 DBED C=C(C)CN1CCN(C(=O)CCOC)[C@@H]2CS(=O)(=O)C[C@@H]21 1108450716 VXMAAVFVMMZBEY-QWHCGFSZSA-N 316.423 -0.091 30 20 DBED C[C@@H](CNc1nccnc1C#N)NC(=O)[C@@H]1CCC(=O)NC1 1108776751 MBACSFITZJTSRQ-VHSXEESVSA-N 302.338 -0.209 30 20 DBED COCCOCC(=O)N[C@@H](C)CN(C)c1nccnc1C#N 1108881711 BDKSBWOCMCRJHB-NSHDSACASA-N 307.354 -0.048 30 20 DBED C[C@H](CN(C)c1ccc(C#N)nn1)NC(=O)[C@H]1CCCNC1=O 1109128300 NTTCJUVSLAQCFU-PWSUYJOCSA-N 316.365 -0.185 30 20 DBED C[C@@H](CN(C)c1ccncc1C#N)NC(=O)[C@H]1CN(C)C(=O)N1 1109194785 WFLKMXGLLWDQID-CMPLNLGQSA-N 316.365 -0.082 30 20 DBED C=CCNC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cnn[nH]1 1109482340 ZCDMHDRUQBPFNW-NOHGZBONSA-N 318.381 -0.170 30 20 DBED CC(=O)NCC(=O)N[C@@]1(C)CCN(c2cnc(C#N)cn2)C1 1110719705 YBZDZDVFXMUFDC-AWEZNQCLSA-N 302.338 -0.431 30 20 DBED C[C@@H]1CN(c2cnc(C#N)cn2)CC[C@@H]1NC(=O)CC(N)=O 1112396441 VRNTXAPMZRCGKF-KOLCDFICSA-N 302.338 -0.445 30 20 DBED Cc1ncc(C(=O)N2CCN(CC(=O)NCC#N)CC2)s1 1112664643 MQIHJSWHHJIQRU-UHFFFAOYSA-N 307.379 -0.151 30 20 DBED COCC(=O)NC[C@H]1CN(c2nc(C)ccc2C#N)C[C@@H]1O 1112693224 YPOJNXLCKQLWEE-STQMWFEESA-N 304.350 -0.179 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)c2cncn2C)CC1 1113074065 ZGZBIIPMSUWPOJ-LBPRGKRZSA-N 303.366 -0.684 30 20 DBED COCC#CCN1CCN(C(=O)[C@H]2CN(C(C)C)CCO2)CC1 1113254476 AXDZOPGCXXGFBT-MRXNPFEDSA-N 323.437 -0.110 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3cscn3)[C@H]2C1 1114012022 ASRJFPZMKSTWCX-UWVGGRQHSA-N 304.375 -0.448 30 20 DBED C=CCOCCN1C[C@H]2[C@H](NC(=O)[C@H]3CN(C)CCO3)[C@H]2C1 1114091119 QULOXZLKWCVAHD-BARDWOONSA-N 309.410 -0.434 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@@H]2CN(CCOCC=C)C[C@@H]12 1114160190 SVOLDFBYGIXEHI-CHWSQXEVSA-N 305.378 -0.625 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1[C@@H]2CN(Cc3cscn3)C[C@@H]21 1114169880 KUUDNWRFKIWIOY-JYAVWHMHSA-N 318.402 -0.171 30 20 DBED C#CCOCCC(=O)N[C@H]1[C@@H]2CN(Cc3nc(O)n[nH]3)C[C@@H]21 1114265308 CDFZVJVGTHKREC-IWIIMEHWSA-N 305.338 -0.903 30 20 DBED C#CCO[C@H](C)C(=O)NC1[C@@H]2CN(Cc3ncnn3CC)C[C@@H]12 1114271378 UXBIFNHHQCLHEM-JHJVBQTASA-N 317.393 -0.117 30 20 DBED CC(=O)NCC(=O)NCC1[C@@H]2CN(c3ccc(C#N)cn3)C[C@@H]12 1114503816 VIUFMTRJUVOPFY-KBPBESRZSA-N 313.361 -0.112 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)c3ccn(C)n3)[C@H]2C1 1115244075 ZYECEZGWAOUVKC-NMKXLXIOSA-N 317.393 -0.229 30 20 DBED C[C@@H](CN(C)C(=O)[C@H](C)NC(N)=O)Nc1nccnc1C#N 1115675030 WUUZYHZKVAANDD-IUCAKERBSA-N 305.342 -0.336 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N(C)C[C@H]2CCOC2)nn1 1118178339 NSYNQQHIUJBZTR-LLVKDONJSA-N 307.354 -0.425 30 20 DBED C=CCNC(=O)CNC(=O)c1cn(C)c2c(cnn2C)c1=O 1118322999 ZUJICCDCCBHBKE-UHFFFAOYSA-N 303.322 -0.696 30 20 DBED C[C@@H](CC(=O)N(C)C[C@@H](C)N=c1cc[nH]c(C#N)n1)NC(N)=O 1120119024 YBSFHQVQMROEBS-VHSXEESVSA-N 319.369 -0.524 30 20 DBED COCCOCC(=O)NC[C@H](CO)Nc1ncccc1C#N 1121212938 KCWZKWCNVAIMGI-GFCCVEGCSA-N 308.338 -0.495 30 20 DBED C[C@@H](C(=O)NC[C@H](CO)Nc1ccc(C#N)nn1)n1cccn1 1121214280 YCBJOPPBWVNJKX-CMPLNLGQSA-N 315.337 -0.305 30 20 DBED Cn1ncc(C(=O)NC[C@H](CO)Nc2ccc(C#N)nc2)c1N 1121331019 BAUBUNSSUOEVOK-LLVKDONJSA-N 315.337 -0.528 30 20 DBED CCNC(=O)CC(=O)NC[C@H](CO)Nc1ncccc1C#N 1121464381 LHGBHTCRZAOKQC-LLVKDONJSA-N 305.338 -0.632 30 20 DBED Cc1nonc1C(=O)NC[C@@H](CO)Nc1cncc(C#N)n1 1121734504 OFVRSOWFSCZBEX-VIFPVBQESA-N 303.282 -0.758 30 20 DBED C=CCN(C(=O)C[C@]1(O)CCCNC1)[C@@H]1CCS(=O)(=O)C1 1121852349 ULCWXNWCKCRXAX-TZMCWYRMSA-N 316.423 -0.307 30 20 DBED COCCO[C@H](C)C(=O)NC[C@H](CO)Nc1cnc(C#N)cn1 1122013679 UHWPBYFSSDCDHO-ZYHUDNBSSA-N 323.353 -0.711 30 20 DBED CN(C[C@@H](O)CNc1cncc(C#N)n1)C(=O)c1cnccn1 1124149378 JRSOOMJSNDJRDB-NSHDSACASA-N 313.321 -0.317 30 20 DBED C=CCCO[C@H](C)C(=O)NCCNC[C@@H](O)COCCOC 1124488770 UHUACGNSZOOMSV-ZIAGYGMSSA-N 318.414 -0.303 30 20 DBED CN(C[C@@H](O)CNc1ccc(C#N)nc1)C(=O)Cn1nccn1 1124569247 XJSUNACWCCQVBW-ZDUSSCGKSA-N 315.337 -0.524 30 20 DBED C[C@H]1CN(C(=O)CNCCNC(=O)C#CC(C)(C)C)CCO1 1126915721 HQLWEIUTPDCKPX-ZDUSSCGKSA-N 309.410 -0.011 30 20 DBED N#CCOc1ccc(CNCCNC(=O)Cn2ncnn2)cc1 1127432969 ARLBKKKKLFRBAB-UHFFFAOYSA-N 315.337 -0.519 30 20 DBED Cc1cc(C(=O)NCCNCC(=O)NCC#N)nn1C(F)F 1128311139 WMDWSPRMSHLNOM-UHFFFAOYSA-N 314.296 -0.454 30 20 DBED C=CCN1CCn2ncc(CNC(=O)Cc3nc[nH]n3)c2C1 1128543311 BSHJUSNNVBYWBO-UHFFFAOYSA-N 301.354 -0.138 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)CCn1ccccc1=O 1128728095 KEXRHALMLWJIKD-CYBMUJFWSA-N 320.393 -0.365 30 20 DBED C#CCOCCC(=O)N1C[C@H](C)O[C@]2(CCN(CCO)C2)C1 1131662904 ZEZVWFXQUXTKLM-HOCLYGCPSA-N 310.394 -0.290 30 20 DBED C=CCOCCN1C[C@H](NC(=O)Cn2cnnn2)CC[C@H]1C 1131783957 LZDDNYHDCMPNSU-CHWSQXEVSA-N 308.386 -0.155 30 20 DBED C#CCN1C[C@@H](NC(=O)CCCN2C(=O)CNC2=O)CC[C@H]1C 1132477949 GYGAKYOVDUQFDJ-OLZOCXBDSA-N 320.393 -0.079 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)C#CC1CC1)NCCNS(C)(=O)=O 1134321249 GHXFXBZLCHABCS-NWDGAFQWSA-N 315.439 -0.178 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1cn(CCC=C)nn1 1135075261 CYUCVFPUWMXBNO-LBPRGKRZSA-N 318.381 -0.689 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@@H]1CCC[C@@H]2CCCN12 1135095654 MYEUARJKBYBGLE-KGLIPLIRSA-N 306.410 -0.542 30 20 DBED C=CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)c1cn(C)c(O)n1 1135387275 MUPYVOICFWFUFB-GHMZBOCLSA-N 323.397 -0.086 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)CCCC(=O)N(C)C 1148216139 BEQSBTXHZSFHSY-LBPRGKRZSA-N 310.398 -0.911 30 20 DBED CCCN(C)CC(=O)NCCNCC(=O)N(CC)CCC#N 1148638476 IRDAWLZRZYGNOF-UHFFFAOYSA-N 311.430 -0.204 30 20 DBED COCC#CCNCCNC(=O)CNC(=O)c1cccs1 1149865679 IJFGYRWRFGWHRN-UHFFFAOYSA-N 309.391 -0.167 30 20 DBED NC(=O)c1nccnc1C(=O)NCCNCC#Cc1ccccc1 1150450912 ZNNUIIXSWSNSJX-UHFFFAOYSA-N 323.356 -0.053 30 20 DBED CCC[C@@H](NC(N)=O)C(=O)NC[C@H]1CN(CC#N)CCCO1 1150652662 BTNXUGYQSZFFDH-NWDGAFQWSA-N 311.386 -0.446 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)c1cn(C)nc1C 1152439532 XRTYDKLBPGTLBD-GFCCVEGCSA-N 319.409 -0.082 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)CCOCCOC 1153224862 FCRUAUXGMWRECE-LBPRGKRZSA-N 301.387 -0.564 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)Cc1cc(C)on1 1155937059 FCAOIKKUNFLCBF-GFCCVEGCSA-N 306.366 -0.241 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCCN[C@@H](C)C(=O)NC1CC1 1160209313 HEXITEWIUOQKKE-ZFWWWQNUSA-N 320.437 -0.153 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)c1cc(OC)n(C)n1 1162228667 LCAQDLMYGSDVBJ-LLVKDONJSA-N 321.381 -0.724 30 20 DBED C#CCNC(=O)CNCCCNC(=O)CCn1nc(C)cc1C 1163583090 NWDAVELFKYXWLY-UHFFFAOYSA-N 319.409 -0.265 30 20 DBED CCn1ncc(C(=O)NCCCNCC(=O)NCC#N)c1C 1169024226 CIRPWCMIKPIIDJ-UHFFFAOYSA-N 306.370 -0.439 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)Cc1cncn1C 1171245127 WVVMEUBISLXGDJ-LBPRGKRZSA-N 307.398 -0.251 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)c1c(C)nn(C)c1F 1174859361 ODBPOCNRWGYVIH-LLVKDONJSA-N 323.372 -0.285 30 20 DBED C=CCCC(=O)N1CC[C@H]2OCCN(Cc3nnn(C)n3)[C@H]2C1 1176954681 HRZFUIRUBZEQLQ-QWHCGFSZSA-N 320.397 -0.022 30 20 DBED C#CCCN1CCO[C@H]2CCN(C(=O)CC(=O)NCC#C)C[C@H]21 1176983033 MMHBIHJJAFMYLR-CABCVRRESA-N 317.389 -0.549 30 20 DBED C#CCCN1CCO[C@H]2CCN(C(=O)C(=O)NCC3CC3)C[C@H]21 1177124976 LXEYAONJLUNDFK-CABCVRRESA-N 319.405 -0.162 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)Cc2ccon2)[C@H]1C 1178395204 DEZZGJUPGILMCM-OBJOEFQTSA-N 318.377 -0.066 30 20 DBED C=CCN1CC[C@H](NCCCCCCNC(=O)C(N)=O)C1=O 1179441056 MQJOHPDSHBZEJC-LBPRGKRZSA-N 310.398 -0.475 30 20 DBED CC#CCN[C@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)[C@H]1C 1179921920 UGEJYPQOTUUVCF-QWRGUYRKSA-N 314.349 -0.367 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)C2)C1 1184058506 MTYBWZVZCPFKMQ-QWHCGFSZSA-N 314.407 -0.739 30 20 DBED C#CCNC[C@H]1CCN(C(=O)CS(=O)(=O)N(C)C)C[C@@H]1C 1185604677 NZTJBUSFSSHDIG-QWHCGFSZSA-N 315.439 -0.415 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)CC(=O)N(C)C)C1 1186185040 RWUMYMLVZORWMX-NWDGAFQWSA-N 310.398 -0.654 30 20 DBED COCC#CCN1C[C@@H]2CCN(C(=O)CCn3ccnn3)[C@@H]2C1 1187659752 AJFWAYFXQCCSBT-LSDHHAIUSA-N 317.393 -0.149 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 1189389145 HOGXVAHCFDKEPH-UONOGXRCSA-N 306.410 -0.637 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(Cc2nc(C(C)C)n[nH]2)C[C@H]1O 1191807849 WMWBRRWKKVEXDU-VXGBXAGGSA-N 323.397 -0.208 30 20 DBED CN(CC(=O)NCC#N)[C@@H]1CCN(C(=O)[C@@]2(F)CCOC2)C1 1191948433 NDSDJQABUJCSAW-BXUZGUMPSA-N 312.345 -0.713 30 20 DBED CN(CC(=O)NCC#N)[C@@H]1CCN(C(=O)CC2=CCOCC2)C1 1192189295 COEVOCKSZOPUQU-CQSZACIVSA-N 320.393 -0.104 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(Cc2cn(C)nc2C)C[C@H]1O 1192530556 NXEKUSRRDVWVAL-IIAWOOMASA-N 322.409 -0.283 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@H]1CCN(C(=O)c2cccnn2)C1 1193009164 UYQURQOTYRBPKL-OLZOCXBDSA-N 315.377 -0.239 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)CCc2cnc[nH]2)C1 1193618939 DAGMUWYUUPTHBZ-ZIAGYGMSSA-N 306.366 -0.847 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)Cc2cnccc2C)C1 1193858506 ZDZMOBZZELLTIK-HZPDHXFCSA-N 317.389 -0.256 30 20 DBED C#CCNC(=O)CC(=O)N1CCCN(Cc2cnns2)CC1 1195588470 IQEGHCDJGOFJKN-UHFFFAOYSA-N 321.406 -0.288 30 20 DBED CN(CC(=O)N1CCCN(CC(=O)NCC#N)CC1)C1CCC1 1196172076 VVDAYTMLUCBHJP-UHFFFAOYSA-N 321.425 -0.355 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)CC[C@@]2(C)CCC(=O)N2)C1 1199592101 VCZKBCAJTWRRHR-IOASZLSFSA-N 307.394 -0.380 30 20 DBED CC#CCNC1CCN(C(=O)[C@@H]2CCN(C)S2(=O)=O)CC1 1202872615 JLHXYKGFKWSPTP-ZDUSSCGKSA-N 313.423 -0.376 30 20 DBED COCC#CCN[C@@H]1C[C@H](NC(=O)c2nnn(C)n2)C12CCC2 1203266804 VFKYEZVPIWDLBA-NEPJUHHUSA-N 318.381 -0.510 30 20 DBED C=CCO[C@H](C)C(=O)N1CCC(NCc2nc(=O)n(C)[nH]2)CC1 1204029516 ZCBIUROSRVKIPW-LLVKDONJSA-N 323.397 -0.220 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)c2cnn(C)c2N)C1 1207870061 PBQBPDGUAGAOBO-NSHDSACASA-N 320.397 -0.501 30 20 DBED COCC#CCN1C[C@@H](NC(=O)[C@@H]2CCC(=O)N2C)[C@H](C)C1 1208324578 QHUKXWOBCOBTLG-MCIONIFRSA-N 307.394 -0.307 30 20 DBED C[C@@H]1CN(C(=O)c2ccn(C)n2)C[C@H]1NCC(=O)NCC#N 1216752068 GIPRQOOBOAYXKU-ZYHUDNBSSA-N 304.354 -0.890 30 20 DBED C=CCCN[C@@H]1CN(C(=O)CNC(=O)Cn2cncn2)C[C@H]1C 1216833250 VJBAYFLHVPUMIU-CHWSQXEVSA-N 320.397 -0.593 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C 1216851978 MPCJDQFRMVORRB-ZIAGYGMSSA-N 308.426 -0.488 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)CCc2cc(OC)no2)C1 1219714118 SYTHIPAQKUIUGE-OLZOCXBDSA-N 307.350 -0.200 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)[C@@H](C2CC2)N(C)C)C1 1219804080 MJEJWHTZOBNOEE-QLFBSQMISA-N 309.410 -0.862 30 20 DBED N#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)CCCC2CC2)C1 1220186125 ZLBJZGLLOFTSSJ-OLZOCXBDSA-N 308.382 -0.632 30 20 DBED C=CCOCC(=O)NCC1CCN(Cc2nnnn2C)CC1 1222631767 XSOUFDNHWDHNNV-UHFFFAOYSA-N 308.386 -0.259 30 20 DBED C=CCCN1CCC(NC(=O)CNC(=O)CNC(C)=O)CC1 1228032548 HDHCQYKQRUVELA-UHFFFAOYSA-N 310.398 -0.605 30 20 DBED N#CCN(CCCNC(=O)[C@@H]1CNC(=O)N1)Cc1cccnc1 1230830108 WMBBNEYAAKLTFA-ZDUSSCGKSA-N 316.365 -0.405 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@H]1CN(C)C(=O)c1cn(C)cn1 1233612414 XEHMOWMBNZUCIS-OLZOCXBDSA-N 317.393 -0.296 30 20 DBED CC(=O)N1CCN(C(=O)C(=O)N2CC[C@@](F)(C#N)C2)[C@H](C)C1 1261328424 GBKCFJBYEKKHQQ-QMTHXVAHSA-N 310.329 -0.470 30 20 DBED C[S@@](=O)CCNC(=O)C(=O)N1CCc2ccc(C#N)cc21 1319509980 DHIAAMKVQIOSFA-OAQYLSRUSA-N 305.359 -0.058 30 20 DBED C[C@@H](O)CCN(C)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1322700928 SLARQRDINHPILY-LRZCVGBLSA-N 310.354 -0.075 30 20 DBED CS(=O)(=O)N1CCC(CNC(=O)[C@@H](N)CCCC#N)CC1 1326536092 FFSFMFWYOIRIMW-LBPRGKRZSA-N 316.427 -0.205 30 20 DBED COC(=O)N1CCC(NC(=O)C(=O)N2CCO[C@H](C#N)C2)CC1 1326930370 GUQHQGZPNOFGGJ-LLVKDONJSA-N 324.337 -0.916 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CCC[C@@H](CO)[C@H]2C)nn1 1329222990 NPOABBWTHUAZRE-NEPJUHHUSA-N 321.381 -0.300 30 20 DBED CN(CC(C)(C)O)C(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1329346446 WOEXXVKCLYEETQ-LBPRGKRZSA-N 308.382 -0.586 30 20 DBED CN(C)c1noc(CNC(=O)NC2CCN(CC#N)CC2)n1 1330055906 SUJOELYNIRNQGA-UHFFFAOYSA-N 307.358 -0.077 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N[C@@H]1C[C@H](OCC)[C@@H]1OC 1343343782 ASCUNIAVXUKSGI-WISYIIOYSA-N 300.355 -0.388 30 20 DBED CNS(=O)(=O)C[C@H]1CCCN1C(=O)[C@H](N)CCCC#N 1345485473 XODHWOWXLXLGBP-GHMZBOCLSA-N 302.400 -0.452 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)NC1CCN(C(=O)OC)CC1 1346669109 ARFIZBDVSRZDNN-UHFFFAOYSA-N 319.361 -0.182 30 20 DBED C#CCNS(=O)(=O)N1CCN(Cc2nncs2)CC1 1351161707 LCQZJHVOULWEMH-UHFFFAOYSA-N 301.397 -0.877 30 20 DBED C[C@H](C[S@](C)=O)NC(=O)CCn1cc(C#N)c(O)nc1=O 1362649057 KMHHGYLVEBBYEV-ZEDNOMKYSA-N 312.351 -0.906 30 20 DBED N#Cc1ccc(N2CCN(C(=O)Cn3nnc(N)n3)CC2)cc1 1363167019 UMMQTPKELBKHSF-UHFFFAOYSA-N 312.337 -0.524 30 20 DBED N#Cc1ccsc1C(=O)NC[C@@]1(O)CCS(=O)(=O)C1 1363241762 SGSFLCHXZJKBHC-NSHDSACASA-N 300.361 -0.101 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CN(C)C(=O)CCc1ccnn1C 1371010514 YNVVABXXRKIYQY-YPMHNXCESA-N 321.381 -0.552 30 20 DBED C[C@@H](CC(N)=O)C(=O)NC[C@@H](O)CNCc1ccc(C#N)cc1 1379235118 XZGICCSIVGPGGF-FZMZJTMJSA-N 318.377 -0.364 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1C[C@@H](NC(=O)CO[C@H]2CCOC2)C1 1384551263 YTWVGTYRBXMVGM-NDBYEHHHSA-N 309.366 -0.037 30 20 DBED N#Cc1cc(C(=O)N2CC[C@@H]2CNC(=O)Cn2cncn2)c[nH]1 1389766720 ZIJYNOFXHIBMMR-GFCCVEGCSA-N 313.321 -0.491 30 20 DBED CNC(=O)CCn1c(C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1396083283 FMQJXIRGQDPHET-ZDUSSCGKSA-N 317.397 -0.101 30 20 DBED CCCCS(=O)(=O)CC(=O)NC[C@H](C)NC(=O)[C@H](C)C#N 1410452844 CDRVSCCZVDHFMB-MNOVXSKESA-N 317.411 -0.018 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)CCc2nccn2C)C1 1413978643 NZJFIWDMWLPEJP-IJLUTSLNSA-N 319.365 -0.800 30 20 DBED COC(=O)C1(C#N)CCN(C[C@@H](O)C[C@@]2(O)CCOC2)CC1 1421808376 ICYWDKWMNVFXTG-WFASDCNBSA-N 312.366 -0.332 30 20 DBED CC(C)(CC#N)CS(=O)(=O)N1CC[C@H](CS(N)(=O)=O)C1 1424787703 AWOHWLVYSKRMQM-JTQLQIEISA-N 323.440 -0.134 30 20 DBED C[C@@H](C#N)C(=O)NCC1CN(C(=O)CNC(=O)C(C)(C)C)C1 1432477639 UUCWLTOIXSRNNA-JTQLQIEISA-N 308.382 -0.117 30 20 DBED Cc1ccncc1CC(=O)NC[C@@H](O)CNC(=O)[C@@H](C)C#N 1433326035 YAYWUOGDOUNZMV-WCQYABFASA-N 304.350 -0.315 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C)C(=O)c1ccn(CCN(C)C)n1 1449182499 AKWQWJZZRCZFLJ-LBPRGKRZSA-N 320.397 -0.207 30 20 DBED CS(=O)(=O)c1cccc(CNC(=O)Cn2cnc(C#N)n2)c1 1449582086 NMPLNMVDCCNMDV-UHFFFAOYSA-N 319.346 -0.130 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@@H](CNC(=O)[C@H]2CCCC(=O)N2)C1 1452942467 OEPFVFXLAGGCPD-WISYIIOYSA-N 306.366 -0.174 30 20 DBED CCC(=O)NCC(=O)NC1CN(C(=O)c2cc(C#N)c[nH]2)C1 1456252777 PWQMVRQUJRSFHN-UHFFFAOYSA-N 303.322 -0.647 30 20 DBED CS(=O)(=O)C1CN(S(=O)(=O)c2cccnc2C#N)C1 1475391970 VAPKRWBCFUHEJA-UHFFFAOYSA-N 301.349 -0.629 30 20 DBED C[C@@H](CNC(=O)Cn1cnnn1)NCc1ccc(F)c(C#N)c1 1480421317 KUDPGVQAKOBBOD-JTQLQIEISA-N 317.328 -0.022 30 20 DBED C[C@H](C#N)C(=O)N[C@@H](CNC(=O)CNC(=O)C1CC1)C1CC1 1493487712 MYUVSJBCYNFCPS-SKDRFNHKSA-N 306.366 -0.317 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CCN(C(=O)CN2CCOCC2)C1 1495193326 GLDGIZJJZLLBSF-QWHCGFSZSA-N 308.382 -0.557 30 20 DBED Cc1nc(CN2CC(O)(CNC(=O)c3cc(C#N)c[nH]3)C2)n[nH]1 1500810163 UAZJAJHQTNAFHQ-UHFFFAOYSA-N 315.337 -0.710 30 20 DBED Cn1c(=O)[nH]c(N2CCC[C@@H](CC#N)C2)c(-c2nn[nH]n2)c1=O 1570918095 LHRNQGDROBSDFA-QMMMGPOBSA-N 316.325 -0.616 30 20 DBED C=C(C)C[C@@H](NS(=O)(=O)CCN1CCOC1=O)C(=O)O 1573324631 WEAYIEGSLOJLDD-SECBINFHSA-N 306.340 -0.223 30 20 DBED N#C[C@@H]1CN(C[C@@H](O)CC2(O)CCC(C(=O)O)CC2)CCO1 1574242874 ZOAFBTIYOGRZJB-SBEAFCBVSA-N 312.366 -0.032 30 20 DBED C=CCC1(O)CCN(C(=O)N[C@@H]2CC(=O)N(C3CNC3)C2)CC1 1574900327 UTQBSOCJZZKOPV-GFCCVEGCSA-N 322.409 -0.328 30 20 DBED CNC[C@@H](O)[C@H](C)C(=O)N1CCN(c2ncccc2C#N)CC1 1578641651 VWJCYOVBQBZRTE-GXTWGEPZSA-N 317.393 -0.182 30 20 DBED C#CC[C@H](NC(=O)c1cc(S(N)(=O)=O)oc1C)C(=O)O 1588413569 BHKBEDOMGWPVLU-QMMMGPOBSA-N 300.292 -0.558 30 20 DBED N#Cc1ncc(N2C[C@H]3COC[C@@H](C2)O3)nc1-c1nn[nH]n1 1592708438 RGEIEBNEXAEYGA-OCAPTIKFSA-N 300.282 -0.868 30 20 DBED C=CCOC[C@H](NC(=O)[C@@H]1CCc2nnn(C)c2C1)C(=O)O 1602910229 RANSNSUYPJPQSN-KOLCDFICSA-N 308.338 -0.308 30 20 DBED C[C@H]1CCCCN1C(=O)Cn1c(N)nc(-c2nn[nH]n2)c1C#N 1603896496 VRJHJSWQJNYHBB-QMMMGPOBSA-N 315.341 -0.082 30 20 DBED N#C[C@H]1CN(C(=O)c2cnc(C(=O)O)cn2)CCN1C1CC1 1605583186 MWHSXBFHKAGOBG-JTQLQIEISA-N 301.306 -0.013 30 20 DBED N#Cc1cn(CCC(=O)N2CCC[C@@H]2CC(=O)O)c(=O)nc1O 1608223022 NOBMUCFBJQEIIQ-SNVBAGLBSA-N 320.305 -0.324 30 20 DBED CS(=O)(=O)N1CCC[C@H](C(=O)N2CC[C@@](O)(CC#N)C2)C1 1649926100 YMRWWEQWRIUZTR-AAEUAGOBSA-N 315.395 -0.465 30 20 DBED Cn1cnn(CCC(=O)N2CCCC[C@@H]2CNCC#N)c1=O 1713265085 RHLUDNULDRTRHJ-GFCCVEGCSA-N 306.370 -0.534 30 20 DBED C=CCn1cc(C(=O)N[C@H]2C[C@H](NCC(=O)NC(C)C)C2)nn1 1752671728 MXIRZHQXKSJYQP-HAQNSBGRSA-N 320.397 -0.161 30 20 DBED C#CCNC(=O)CN[C@@H](C)CNC(=O)c1cc2n(n1)CCCC2 1752879004 BEIFURANNOFXLK-LBPRGKRZSA-N 317.393 -0.323 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)NC[C@H](C)NC[C@H](C)O 1752920264 AICMWYLAKXVVDZ-QWRGUYRKSA-N 300.403 -0.275 30 20 DBED C=CCNC(=O)CNC[C@@H]1CCN(C(=O)c2cnnn2CC)C1 1752935437 NLSOFRXORMEZGX-LBPRGKRZSA-N 320.397 -0.348 30 20 DBED CC#CCN(C)[C@H]1CCCN(C(=O)CN2CCOCC2=O)C1 1752992410 LNDINAZDOHUXAB-AWEZNQCLSA-N 307.394 -0.209 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)CCNC(=O)c1cccc(O)n1 1753044722 PINWKCAHTVUGLT-LLVKDONJSA-N 304.350 -0.413 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)CCNC(=O)C[C@H]1CCN(C)C1 1753071099 YKMNJFNQLGHJRI-ZIAGYGMSSA-N 308.426 -0.486 30 20 DBED Cc1conc1C(=O)NC[C@@H]1CCCN1CC(=O)NCC#N 1753113829 NTMLQJONJWOHKJ-NSHDSACASA-N 305.338 -0.183 30 20 DBED COCC#CCN1CCN(CCN(C)C(=O)[C@@H](C)C#N)CC1 1753344188 UPVPGIAXVOCOJE-HNNXBMFYSA-N 306.410 -0.128 30 20 DBED C#CCNC(=O)[C@H](C)N1CC(CNC(=O)c2c[nH]nc2CC)C1 1753405743 FHDARIRATLQPAG-NSHDSACASA-N 317.393 -0.228 30 20 DBED C#CCNC(=O)CNC[C@@](C)(NC(=O)[C@@H](C)NC(C)=O)C1CC1 1753512818 DBSHYRRYTUPIRF-BDJLRTHQSA-N 322.409 -0.865 30 20 DBED C=CCNC(=O)CNCC[C@H](C)NC(=O)[C@@H]1CCC(=O)N1C 1753991092 KYADVZGEPRRWMH-RYUDHWBXSA-N 310.398 -0.606 30 20 DBED N#Cc1cc(C(=O)N(CCO)CCNCc2nncs2)c[nH]1 1754880529 CCNMVSMRQUJZMS-UHFFFAOYSA-N 320.378 -0.038 30 20 DBED CN(C)CCC(=O)N1CC2(CCN(CC(=O)NCC#N)CC2)C1 1754961038 GIFCBPNYGGWTBW-UHFFFAOYSA-N 321.425 -0.498 30 20 DBED C[C@H]1CN(C(=O)CCCCC(N)=O)C[C@H]1NCC(=O)NCC#N 1755119648 SBGISNYHMMKFBG-NWDGAFQWSA-N 323.397 -0.892 30 20 DBED C#CCN1CC[C@H](NC(=O)CN(C)S(C)(=O)=O)C[C@@H]1C 1755162736 YPPOKZQTXDCUQH-RYUDHWBXSA-N 301.412 -0.520 30 20 DBED C=C(C)CCN[C@@H](C)[C@H](C)NC(=O)CN1C(=O)C(=O)N(C)C1=O 1755256838 OXSAGZYIOCUANN-QWRGUYRKSA-N 324.381 -0.144 30 20 DBED C=C(Cl)CN[C@@H](CO)CNC(=O)CCN1C(=O)CCC1=O 1755632964 KMPWSVIJRDPUPX-SNVBAGLBSA-N 317.773 -0.655 30 20 DBED C#CCCN[C@H](CO)CNC(=O)c1coc2c1C(=O)NCCC2 1755635874 VJSQSLBIGOHGIN-NSHDSACASA-N 319.361 -0.341 30 20 DBED CC#CCN1CCC[C@@H](NC(=O)CS(=O)(=O)NC)[C@H]1C 1755721542 OHFZUOKJVMNJMR-VXGBXAGGSA-N 301.412 -0.472 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@H](C)N(C)C(=O)Cc1n[nH]c(C)n1 1756021866 YRUYVHUERVDITP-BMIGLBTASA-N 323.397 -0.054 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(CCO)(NC(=O)C#CC2CC2)C1 1756081857 GOYBCHYQIBUUMN-INIZCTEOSA-N 320.389 -0.194 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1756250136 HDRSOIOEUZHROS-MBIARJLFSA-N 320.389 -0.072 30 20 DBED C#Cc1cncc(C(=O)N(C)[C@@H](CNC(=O)C(N)=O)C2CC2)c1 1756422565 DVGZSIXPKONPMB-ZDUSSCGKSA-N 314.345 -0.485 30 20 DBED C#CCCCCC(=O)NC[C@H](CO)NC(=O)c1cnn(C)c1N 1756514392 ZKVTYMAFWPWPSV-LLVKDONJSA-N 321.381 -0.597 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@H](CO)NC(=O)[C@@H]1C[C@@H]2C[C@@H]2C1 1756515406 LHDXQQCRKXTYAO-WUGLTUCPSA-N 310.394 -0.047 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@H](CO)NC(=O)c1n[nH]c(C)c1C 1756515960 SDXYLNHKRTZJPN-NHYWBVRUSA-N 324.381 -0.439 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)c2cccc(O)n2)C[C@H]1O 1756985625 LLJVBCRFTUJYGV-VXGBXAGGSA-N 321.333 -0.709 30 20 DBED C=C(C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnnn2CC)C1 1756994150 DEKAQULWQCGAMT-DGCLKSJQSA-N 321.381 -0.044 30 20 DBED C=CCC(=O)N1CC[C@@]2(C1)CN(C(=O)Cn1nccn1)CCO2 1783917577 LNDQKSDZHYXXMS-OAHLLOKOSA-N 319.365 -0.316 30 20 DBED N#CCC(=O)N1CCO[C@@]2(CCN(C(=O)C3CC(=O)C3)C2)C1 1785404289 CLSQYHSJYVGJQA-HNNXBMFYSA-N 305.334 -0.291 30 20 DBED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccncn3)[C@H]2C1 1787568580 GYXNTAKZUXBVMJ-OBJOEFQTSA-N 314.345 -0.297 30 20 DBED CC[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CC1 1795409397 GNAWGXLMPLHJGW-RNJOBUHISA-N 321.377 -0.349 30 20 DBED CC(C)OC(=O)[C@H](C)CNc1c(C#N)c(=O)n(C)c(=O)n1C 78511355 BKQDAMVFTZULOK-SECBINFHSA-N 308.338 -0.045 30 20 DBED C[C@H](C#N)CNC(=O)Cn1cc(Br)c(=O)[nH]c1=O 171841951 NQIQOSSXWOGVET-ZCFIWIBFSA-N 315.127 -0.425 30 20 DBED N#Cc1cc(F)c(S(=O)(=O)N[C@H](CCO)C(=O)O)c(F)c1 274874219 BIVDUESEHZCOJO-SECBINFHSA-N 320.273 -0.050 30 20 DBED CN(C)C(=O)CNC(=O)C(=O)NC1(c2cccc(C#N)c2)CC1 277630288 XEXTXJPBQXIARB-UHFFFAOYSA-N 314.345 -0.132 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)NCc1ccc(C(N)=O)o1 283049288 SATHOMMGUSACGH-QMMMGPOBSA-N 300.340 -0.053 30 20 DBED C=CCNC(=O)CNC(=O)NCC1(S(C)(=O)=O)CCCC1 286616168 CGNSKTVYBFVGAY-UHFFFAOYSA-N 317.411 -0.055 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](CC)C(C)(C)O)C1=O 293886816 CAJCBJVSSZWCPI-SECBINFHSA-N 311.338 -0.371 30 20 DBED CCN1CCCN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC1=O 302784873 UXSLJGPBPHRHSD-UHFFFAOYSA-N 305.338 -0.986 30 20 DBED CN(/C(O)=N/C[C@H]1CCCCS1(=O)=O)[C@@H]1COC[C@H]1O 329376319 LIICYPBBXPCZAM-GMTAPVOTSA-N 306.384 -0.441 30 20 DBED CN1CCO[C@H](/C(O)=N/CCN2CCS(=O)(=O)CC2)C1 329840428 JPKZTNJLWOPCBC-NSHDSACASA-N 305.400 -0.996 30 20 DBED C[C@@H](C(=O)N(C)CCC#N)N1CCC[C@H](S(N)(=O)=O)C1 330851045 QIGJXLRMSUCHJO-QWRGUYRKSA-N 302.400 -0.500 30 20 DBED CN(C[C@@H](O)C(F)(F)F)/C(O)=N/CC(=O)N1CCOCC1 330855886 PLCPKNUKWIMSQB-MRVPVSSYSA-N 313.276 -0.386 30 20 DBED CC/N=C(/O)NC(=O)[C@H](C)N1CCN(C(=O)CCOC)CC1 331052462 JBVCZWUDDAXXEG-NSHDSACASA-N 314.386 -0.394 30 20 DBED CN1CCO[C@H](C/N=C(/O)N2CCC[C@@H](OCCO)C2)C1 331219019 IBEMTJLPUIMXEG-CHWSQXEVSA-N 301.387 -0.296 30 20 DBED COc1cc(C#N)ccc1OCC(=O)NCC(=O)NCC#N 343544217 OQRXIJKWNJBCOP-UHFFFAOYSA-N 302.290 -0.298 30 20 DBED N#CCNC(=O)CNC(=O)N[C@@H]1CC[C@H](C(=O)N2CCCC2)C1 346280388 VVZQEMFECYMGCI-NWDGAFQWSA-N 321.381 -0.284 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)CNC(=O)CCC)CC1 365381692 VQRFWXVGQFNPTC-UHFFFAOYSA-N 322.409 -0.814 30 20 DBED C=CCOCC(=O)N1CCN(S(=O)(=O)CCCOC)CC1 432504958 ITDWOMMWDNIJII-UHFFFAOYSA-N 320.411 -0.301 30 20 DBED C=CCC[C@H](NC(=O)CN1CCN(C)C(=O)C1)C(=O)OCC 456605803 KYUULNPJHXNIDI-LBPRGKRZSA-N 311.382 -0.226 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N1CC[C@H](CS(C)(=O)=O)C1 490474736 DSOUGEJHQLTMSO-MNOVXSKESA-N 323.440 -0.168 30 20 DBED C#CCNC(=O)Cc1c(C)nn(-c2cncc3nnnn23)c1C 490852224 LYTLHHQEYZUGLI-UHFFFAOYSA-N 310.321 -0.386 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 491073442 ZFUVJPAXRJWDKH-UHFFFAOYSA-N 319.321 -0.570 30 20 DBED CCOC(=O)N1CCC(NC(=O)CN2CCO[C@H](C#N)C2)CC1 491245571 UQUBHVVSSYQKEJ-CYBMUJFWSA-N 324.381 -0.052 30 20 DBED C#CCNC(=O)CCN[C@@H]1CCCN(c2ccn(C)n2)C1=O 491655381 RBZMDKSMGWYDDY-GFCCVEGCSA-N 303.366 -0.355 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N[C@@H](CCC(=O)O)C(=O)O 571885886 AKKUYLJQQUJAFX-SFYZADRCSA-N 307.328 -0.627 30 20 DBED Cc1c(C(=O)N2CC(C#N)C2)cnc2c1c(=O)n(C)c(=O)n2C 590491064 RGDXICLDELPFJD-UHFFFAOYSA-N 313.317 -0.464 30 20 DBED CC1(C(=O)O)CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 592455628 YNXBFAFPZHJEFW-JTQLQIEISA-N 317.367 -0.358 30 20 DBED N#C[C@@H]1COCCN1S(=O)(=O)c1ccc2c(c1)NC(=O)CO2 610266969 XDDUCQIUDZCBNP-SECBINFHSA-N 323.330 -0.069 30 20 DBED CCN1C(=O)[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)CCN2C1=O 611472410 OZLZGLYAVHJKCK-NSHDSACASA-N 301.306 -0.005 30 20 DBED C=CCCn1cc(CN(CCO)CCN2CCOCC2)nn1 653563892 GBVVXCJWPHHJGM-UHFFFAOYSA-N 309.414 -0.019 30 20 DBED C=CCCNC(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1 658390356 YHPWAMAQHICCCI-UHFFFAOYSA-N 321.381 -0.154 30 20 DBED C#CCNC(=O)CN1CCN(Cc2ccn(C)c(=O)c2)CC1 728571153 WTGBZYCGUKWXOG-UHFFFAOYSA-N 302.378 -0.748 30 20 DBED COCCCS(=O)(=O)NCCOC(=O)c1cc(C#N)c[nH]1 748222304 GJRAFRNSEBSMLG-UHFFFAOYSA-N 315.351 -0.001 30 20 DBED COCCOc1ccccc1C=NNC(=S)NCC(N)=O 751529037 OHVRGVYJCAHITO-UHFFFAOYSA-N 310.379 -0.005 30 20 DBED CC(C)[C@@H](C#N)OC(=O)CN1CCN(S(C)(=O)=O)CC1 765967865 UAXRTVJUBJIJBL-LLVKDONJSA-N 303.384 -0.345 30 20 DBED C#C[C@H](NC(=O)CNS(=O)(=O)CCCOC)[C@@H]1CCCO1 772889844 IWTFDEHZWSGVPV-RYUDHWBXSA-N 318.395 -0.761 30 20 DBED C#C[C@H](NC(=O)N1CCS(=O)(=O)C[C@H]1C)[C@@H]1CCCO1 773559182 ORIJLHUGVCFVIL-WOPDTQHZSA-N 300.380 -0.004 30 20 DBED C=CCS(=O)(=O)CCNC(=O)[C@H]1CCCN(C(C)=O)C1 783541495 GPYCVHRUBQVBNQ-LBPRGKRZSA-N 302.396 -0.038 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)CCn1cnccc1=O 796327888 JPDZVSYRTSBULW-UHFFFAOYSA-N 308.294 -0.812 30 20 DBED C[C@@H](C#N)OCCN1CCN(C(=O)CN2C(=O)CCC2=O)CC1 801918479 OQDDBCBTRPHRKO-LBPRGKRZSA-N 322.365 -0.792 30 20 DBED CCn1ncn(NC(=O)C#Cc2ccc3c(c2)OCO3)c1=O 820391501 NWTMQTTZWDKGRM-UHFFFAOYSA-N 300.274 -0.085 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCCC[C@H]1CNS(C)(=O)=O 822432977 PZQQTXNWFMEKLF-RYUDHWBXSA-N 302.396 -0.045 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N[C@H]1CCN(C(=O)CC)C1 828789487 RFQLJBYNKUELRH-ZDUSSCGKSA-N 323.393 -0.388 30 20 DBED N#C[C@@H]1CNC[C@@H]1NC(=O)Cn1c(=O)nc(O)c2ccccc21 834516769 LUGFSRJHRYSWLA-KOLCDFICSA-N 313.317 -0.670 30 20 DBED CN(C)S(=O)(=O)c1c[nH]c(C(=O)N[C@H]2CNC[C@@H]2C#N)c1 834521343 GUXUFWRETHYRGN-KWQFWETISA-N 311.367 -0.894 30 20 DBED C#CCCN(CCOC)S(=O)(=O)N1CCO[C@@H](C#N)C1 851877713 PSDPJEVQJOLUNY-LBPRGKRZSA-N 301.368 -0.573 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O 856683658 HEIXTILLXFNNCO-VFZGTOFNSA-N 321.333 -0.612 30 20 DBED C=CCOCCn1cc(CN2CCS(=O)(=O)CC2)nn1 881285678 JHJXSFZXUQNNMV-UHFFFAOYSA-N 300.384 -0.289 30 20 DBED C#CC1(O)CN(C(=O)Cn2cc(Br)ccc2=O)C1 890520425 ICJBZWSTTQUKNM-UHFFFAOYSA-N 311.135 -0.183 30 20 DBED CCN1CCC[C@@H](NS(=O)(=O)N(C)C[C@@H](C)C#N)C1=O 921490320 FJVDZDANMRWVLL-WDEREUQCSA-N 302.400 -0.077 30 20 DBED COc1cc(C(=O)N[C@H]2CCN(C(=O)[C@@H](C)C#N)C2)nn1C 938355231 GFTOLAKIOUATKB-UWVGGRQHSA-N 305.338 -0.081 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C2CN([C@H](C)C(=O)N(C)C)C2)CC1 941348391 MWGGJQASDZTCMJ-QWHCGFSZSA-N 321.425 -0.549 30 20 DBED C=CCn1cccc1C(=O)N[C@@H]1CN(C(=O)C(N)=O)C[C@H]1OC 942198721 MYDMKLIOGXJHOG-ZYHUDNBSSA-N 320.349 -0.885 30 20 DBED C#CCN1CCC[C@@H](N(C)C(=O)CN2CC(=O)NC2=O)CC1 948865854 YKNPNPAJTUOSMC-GFCCVEGCSA-N 306.366 -0.516 30 20 DBED Cc1nc(CC(=O)N[C@@H]2CCCN(C(=O)[C@@H](C)C#N)C2)n[nH]1 951868971 ZGNDZLDGLKJILG-GXSJLCMTSA-N 304.354 -0.078 30 20 DBED CN(C(=O)c1ccc(C#N)[nH]1)C1CN(C(=O)c2cnnn2C)C1 954079936 MZDKVBUTWVVSGZ-UHFFFAOYSA-N 313.321 -0.389 30 20 DBED C[C@]1(NC(=O)[C@@H]2COC(=O)N2)CCN(C(=O)C#CC2CC2)C1 956880614 SNYFZNYXJKPUQJ-NHYWBVRUSA-N 305.334 -0.385 30 20 DBED C#CCCN1C[C@@H](O)[C@H](CNC(=O)c2c(C)nnn2CC)C1 958135884 VGPYPABQRVQMJM-CHWSQXEVSA-N 305.382 -0.348 30 20 DBED C#CCCN1C[C@H](O)[C@H](CNC(=O)c2cnn3ncccc23)C1 958139190 KUNJQCMGNFUNGK-DOMZBBRYSA-N 313.361 -0.225 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2nc3ncc(C)cn3n2)C1 958168056 SIRKSZDHSLSUPI-NEPJUHHUSA-N 314.349 -0.912 30 20 DBED CC#CCN1C[C@@H](O)[C@H](CNC(=O)c2cc(C(N)=O)cn2C)C1 958219965 QOCIVKKXOLHBOC-TZMCWYRMSA-N 318.377 -0.830 30 20 DBED C=CCN1C[C@H](O)[C@H](CNC(=O)c2cc3ncccn3n2)C1 958507750 WEVAIEOTAIZHOR-YPMHNXCESA-N 301.350 -0.062 30 20 DBED O=C(Cn1ncnn1)N[C@H]1[C@@H]2CN(CC#Cc3ccccc3)C[C@@H]21 959909766 GAGJUDYZUIXHGG-QLPKVWCKSA-N 322.372 -0.229 30 20 DBED Cc1nonc1C(=O)NC[C@H]1COCCN1C(=O)[C@H](C)C#N 964235493 GJTVGNTZXOJLPR-SCZZXKLOSA-N 307.310 -0.505 30 20 DBED CC#CCN1CC[C@@H](C)[C@H](NC(=O)Cn2c(O)nnc2O)C1 968588966 OLCMHLVDIKHAAM-GHMZBOCLSA-N 307.354 -0.461 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)c3cnn[nH]3)C[C@@H]2O)C1 970378524 PMPMDEMUWCJCJO-MNOVXSKESA-N 305.338 -0.538 30 20 DBED CC#CCN1CCO[C@]2(CCN(C(=O)c3nccnc3N)C2)C1 972302862 CTUIFFMOJCSKTR-MRXNPFEDSA-N 315.377 -0.001 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)c3cc4n(n3)CCO4)[C@H]2C1 976692330 UQHQLZDVAYALGK-DNJQJEMRSA-N 315.333 -0.378 30 20 DBED CCN1CCOC[C@H]1C(=O)N[C@H]1[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]21 976779659 DIAKGMNPWXLDRO-DGTMBMJNSA-N 320.393 -0.560 30 20 DBED COCCN1C[C@H](C(=O)NC[C@H]2[C@@H]3CN(CC#N)C[C@H]23)CC1=O 978240527 HHHYPBZKUFHNPZ-SYQHCUMBSA-N 320.393 -0.701 30 20 DBED C=CCCN1C[C@H]2[C@H](CNC(=O)c3cn(C)c(=O)nc3O)[C@H]2C1 979069115 JFUZINRBXWXHPC-CNDDSTCGSA-N 318.377 -0.030 30 20 DBED C#CCCN1CCCC2(C1)CN(C(=O)CN1CCOCC1=O)C2 981815854 FHHQVBHPTJEOOM-UHFFFAOYSA-N 319.405 -0.207 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](CNC(=O)c2cc(C(N)=O)c[nH]2)C1 983212864 SBUXYEJWLOCZAQ-NXEZZACHSA-N 317.349 -0.148 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](NCCN2CCNC2=O)C(C)(C)C1 995546572 DZVOIIDZBDXYLD-NEPJUHHUSA-N 307.398 -0.002 30 20 DBED C#CCNC1CC(N(C)C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 998761416 MYCFHXPEACWGQH-PNESKVBLSA-N 315.377 -0.025 30 20 DBED CC#CCN1CCC(CNC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 1001897729 DVFYDVJQYABADK-LBPRGKRZSA-N 306.366 -0.564 30 20 DBED C[C@@H](NC(=O)c1nnn(C)n1)C1CN(C(=O)C#CC2CC2)C1 1006636380 ICQSJGBUXVGGJL-SECBINFHSA-N 302.338 -0.800 30 20 DBED C#Cc1cncc(C(=O)N2CC3(CCN(C(=O)C(N)=O)C3)C2)c1 1019414961 YABWHESDKTWWPR-UHFFFAOYSA-N 312.329 -0.777 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2cncn2C)C1 1024779296 PUAHICCGNFXZQR-CHWSQXEVSA-N 320.393 -0.137 30 20 DBED Cc1ncccc1C(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1O 1025100351 IYYWKOXJNYESJR-ZWKOPEQDSA-N 302.334 -0.149 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)OC)C[C@H]2O)c1 1025551866 RNSHOYRKIHVJOG-ZLKJLUDKSA-N 317.345 -0.601 30 20 DBED C=CCN1[C@H]2CC[C@H]1CN(C(=O)CN1C(=O)C(=O)N(C)C1=O)C2 1029501680 PHFGCXWBJPZHBM-QWRGUYRKSA-N 320.349 -0.732 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1CCCN([C@@H](C)C(N)=O)C1 1030031504 XDHPTOJZYFVWPV-IHRRRGAJSA-N 306.410 -0.462 30 20 DBED C=CCN1CC[C@H](N2CC(CNC(=O)c3n[nH]cc3F)C2)C1=O 1031954693 HFSKQJYKOYNHQT-LBPRGKRZSA-N 321.356 -0.003 30 20 DBED C#Cc1cncc(C(=O)NCC2CN([C@H]3CCN(C)C3=O)C2)c1 1031963749 VYTZHYLOENFKRS-HNNXBMFYSA-N 312.373 -0.045 30 20 DBED C#Cc1ccc(C(=O)NCC2CN(CC(=O)N(C)C)C2)cn1 1032136698 FKRUMWGJYSINBI-UHFFFAOYSA-N 300.362 -0.187 30 20 DBED Cn1ncc2c1C[C@@H](C(=O)NC[C@@H]1CN(CC#N)CCO1)CC2 1035492238 WBOFWQAUGVPZMT-GXTWGEPZSA-N 317.393 -0.134 30 20 DBED CC#CCN1CCO[C@@H](CNC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 1035514741 QQIPJVYPFDBHLA-RDBSUJKOSA-N 307.394 -0.272 30 20 DBED CC#CCN1CCO[C@H](CNC(=O)c2ccc(=O)n(CC)n2)C1 1035551393 MQCUIGVANMBLAK-CYBMUJFWSA-N 318.377 -0.283 30 20 DBED CC#CCN1CCO[C@H](CNC(=O)[C@H]2CCN(C(C)=O)C2)C1 1035593177 MNUQDMITDIHQIJ-LSDHHAIUSA-N 307.394 -0.305 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCC2(CC1)CN(CC(N)=O)C2 1035724332 BXEBSFCNJBTBAI-AWEZNQCLSA-N 318.421 -0.506 30 20 DBED C=CCN1CC[C@H]2CN(C(=O)CN3CC(=O)N(C)C3=O)CC[C@@H]21 1036868246 JGJROXOZCLYXNV-STQMWFEESA-N 320.393 -0.011 30 20 DBED CC#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1ncn(C)c1=O 1039396615 YZEJWFNRBXZTDL-KGLIPLIRSA-N 317.393 -0.330 30 20 DBED C=CCOCC(=O)N1CC[C@@](O)(CNC(=O)C#CC2CC2)C1 1039677019 CQTDDVXJBAVTKC-MRXNPFEDSA-N 306.362 -0.318 30 20 DBED Cn1cnc(C(=O)N2CC[C@](O)(CNC(=O)C#CC3CC3)C2)c1 1039680709 LHBSUOJIRGGFDD-INIZCTEOSA-N 316.361 -0.473 30 20 DBED C=CCO[C@H](C)C(=O)N1CC[C@](O)(CNC(=O)c2cnon2)C1 1040667988 GQFOTVGWIITYNS-YGRLFVJLSA-N 324.337 -0.646 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)C2=CCOCC2)C1 1040763777 RKGSTOORBIYBJI-NHYWBVRUSA-N 307.350 -0.428 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)[C@H]2C[C@H]3CC[C@H]2O3)C1 1042166993 LREJMWGOWTVZAP-FRRDWIJNSA-N 324.377 -0.554 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@@H]3C[C@@H]3C2)C1 1043044541 YCNFNNUXYSSNBY-MQYQWHSLSA-N 320.389 -0.240 30 20 DBED C=CCCCC(=O)NCC1(O)CN(C(=O)C2=COCCO2)C1 1045451271 PFZKTZFPIOBJBJ-UHFFFAOYSA-N 310.350 -0.080 30 20 DBED C[C@H](C(=O)N1CC(O)(CNC(=O)[C@H](C)C#N)C1)c1ccnn1C 1045558920 CPVJPLPDCXBFGS-MNOVXSKESA-N 319.365 -0.627 30 20 DBED CC#CCN1CC[C@@H](N2CCN(C(=O)[C@@H]3COCCO3)CC2)C1 1046009071 LWQQOOBXJWTKFD-CVEARBPZSA-N 321.421 -0.356 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3nnc(O)n3C2)C1 1047433068 VUJFRBMZDWOWIW-WOPDTQHZSA-N 321.381 -0.764 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2ccon2)C1 1048399257 FPKMUTMJQYMZHR-RYUDHWBXSA-N 309.322 -0.479 30 20 DBED N#CCN1CC[C@H]2[C@H]1CCCN2C(=O)CN1CCNC(=O)C1 1049640943 YGPJAKGUBTXOGG-OLZOCXBDSA-N 305.382 -0.993 30 20 DBED N#CCN1CC[C@H]2[C@H]1CCCN2C(=O)C1CC(=O)NC(=O)C1 1049781376 DFHXFENEXNEOTP-NEPJUHHUSA-N 304.350 -0.372 30 20 DBED C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)CN1CC(=O)N(C)C1=O 1049840807 ORAWQQXXSHKPET-STQMWFEESA-N 318.377 -0.421 30 20 DBED C=CCN1C[C@@H]2CCCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)[C@@H]2C1 1050152704 ZGBGOLVVLDVVBL-SDDRHHMPSA-N 306.366 -0.307 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)c1cccn2nnnc12 1050932717 AGHDIKYOFVVJSR-LLVKDONJSA-N 300.322 -0.812 30 20 DBED N#CCN1CCOC[C@H]1CNC(=O)c1cccc(C(N)=O)c1 1050987891 WWOHEYZRNYMQAF-CYBMUJFWSA-N 302.334 -0.260 30 20 DBED N#CCN1CCOC[C@H]1CNC(=O)[C@H]1CN2CC3CC2(CO1)C3 1051037901 OWJRWZARLVDIDH-MYMJJRTCSA-N 320.393 -0.810 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)[C@H]1COCCN1CCCC 1051042243 CTZHXCLYZJMGLX-JKSUJKDBSA-N 323.437 -0.063 30 20 DBED C=CCCN1CCOC[C@H]1CNC(=O)c1cn(C)c(=O)n1C 1051263031 OIKVSYFUXOTYRB-GFCCVEGCSA-N 308.382 -0.270 30 20 DBED C#CCN1CC2(C1)CN(C(=O)[C@@H](OC)[C@H]1CCOC1)CCO2 1053358360 PDBNPDTWSNAUDO-KBPBESRZSA-N 308.378 -0.416 30 20 DBED C#CCN1CC2(CC[C@@H](CNC(=O)[C@H]3CC[C@@H](C(N)=O)C3)O2)C1 1053663681 YJQSYECDSYOKPT-RDBSUJKOSA-N 319.405 -0.129 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)CN3CCCC3=O)CO2)C1 1053733758 DHOZLAJPPJJHRM-CYBMUJFWSA-N 305.378 -0.408 30 20 DBED C#Cc1cncc(C(=O)N[C@H]2COC3(C2)CN(CCO)C3)c1 1053918587 QKMQAUMGKVLVJV-CQSZACIVSA-N 301.346 -0.372 30 20 DBED Cn1ncc(C(=O)N2CCN(c3ccnc(C#N)n3)CC2)c1N 1055776963 LOKFPKBKQKQVKO-UHFFFAOYSA-N 312.337 -0.374 30 20 DBED Cn1nncc1C(=O)NC1[C@H]2CN(c3ccnc(C#N)n3)C[C@H]12 1056196017 XTXIMLNDWWKHEF-IUCAKERBSA-N 310.321 -0.659 30 20 DBED N#Cc1ccc(N2C[C@@H]3C(NC(=O)C45CCN(CC4)C5)[C@H]3C2)nn1 1056268766 WWPNSRWNXDFKHK-STQMWFEESA-N 324.388 -0.005 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)Cc1ccon1 1057517402 SGQSXDLKJHUHBY-UHFFFAOYSA-N 307.350 -0.186 30 20 DBED CCn1cc(C(=O)N(CCO)CCNC(=O)[C@H](C)C#N)c(C)n1 1057612620 UEQNCLBBNVCYKI-LLVKDONJSA-N 321.381 -0.078 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)C[C@H]1CCCOC1 1057649128 UMMKYCGNMUSGMX-QWHCGFSZSA-N 311.382 -0.100 30 20 DBED Cn1ncc(C(=O)NC2CCN(c3ccnc(C#N)n3)CC2)n1 1057883899 BPCDYWZJHPEXJG-UHFFFAOYSA-N 312.337 -0.124 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)Cc1ccc(O)nc1 1058121762 VRDWTQCNTQCKMQ-NSHDSACASA-N 320.349 -0.574 30 20 DBED Cc1nnccc1C(=O)N(CCO)CCNC(=O)C#CC1CC1 1058202200 WDABVRBAMAEFFT-UHFFFAOYSA-N 316.361 -0.251 30 20 DBED N#Cc1nccc(N2CC[C@@H](NC(=O)[C@@H]3COC(=O)N3)C2)n1 1058350115 DAVLMLMEXPYDPW-BDAKNGLRSA-N 302.294 -0.848 30 20 DBED C=CCO[C@H](C)C(=O)N1CCC2(CC1)CN(C(=O)CC(N)=O)C2 1060959940 VZDKVFYHLOWKNU-GFCCVEGCSA-N 323.393 -0.096 30 20 DBED Cc1[nH]nc(C(=O)N2CCOC[C@@H]2CNC(=O)[C@@H](C)C#N)c1O 1061848366 QBWISTXESOICBK-WPRPVWTQSA-N 321.337 -0.459 30 20 DBED C#CCNC(=O)CC(=O)NCC1(NC(=O)CSC)CCC1 1062829668 WJADAIMUEPEVCK-UHFFFAOYSA-N 311.407 -0.356 30 20 DBED N#Cc1nccnc1N1CCO[C@H](CNC(=O)[C@H]2CCCO2)C1 1063605329 HMOSKXPWRUJJSJ-DGCLKSJQSA-N 317.349 -0.151 30 20 DBED CO[C@@H](C)C(=O)NC[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)CCO1 1065063606 JAYOXJGTMVYXJA-GWCFXTLKSA-N 320.349 -0.122 30 20 DBED CC(C)(C)C#CC(=O)N1CCO[C@@H](CNC(=O)CNC(N)=O)C1 1065139751 DSLBPXMXSGPJMB-NSHDSACASA-N 324.381 -0.952 30 20 DBED Cn1nnc(C(=O)N[C@]2(C)CCN(c3ccc(C#N)nc3)C2)n1 1065317376 WYKVWNFMRQMMDL-CQSZACIVSA-N 312.337 -0.124 30 20 DBED N#Cc1nccc(N2C[C@@H](O)[C@@H](CNC(=O)c3ccon3)C2)n1 1067654117 SSQTVQTWGWDIAG-GXSJLCMTSA-N 314.305 -0.437 30 20 DBED N#Cc1ccc(N2C[C@H]3CC[C@H]2CN3C(=O)Cn2cnnn2)nc1 1068026291 JBHNFXQVUHPPLI-QWHCGFSZSA-N 324.348 -0.180 30 20 DBED C=C(C)CCC(=O)N1CC2(CN(C(=O)CC(N)=O)CCO2)C1 1068364079 YKCBZGGKIXHHAL-UHFFFAOYSA-N 309.366 -0.342 30 20 DBED C=CCOCC(=O)N[C@H]1COC2(C1)CN(C(=O)c1cnn[nH]1)C2 1068768103 YJKDBRCJVOWDQQ-SNVBAGLBSA-N 321.337 -0.893 30 20 DBED CO[C@@H](C)C(=O)N1CC2(C[C@@H](NC(=O)C#CC3CC3)CO2)C1 1068860743 QLXGECIVVNVDJQ-WCQYABFASA-N 306.362 -0.079 30 20 DBED C[C@H](C#N)C(=O)N1CC2(C[C@@H](NC(=O)C(C)(C)C(N)=O)CO2)C1 1068908064 UICWRBRGAWAEHL-NXEZZACHSA-N 322.365 -0.856 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1070003117 LUKYXOMZBOHOTB-BJJPWKGXSA-N 301.350 -0.855 30 20 DBED C[C@@H]1CN(C(=O)CCNC(N)=O)CC[C@H]1NC(=O)C#CC1CC1 1073950002 YNWLYGTUEBNSMK-DGCLKSJQSA-N 320.393 -0.189 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)CCn3ccnn3)C[C@@H]21 1074225361 DXEDNLIKFGFKJY-UONOGXRCSA-N 303.366 -0.397 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCN(C(=O)CCOC)[C@@H](C)C1 1074940563 AJJRDCUMVVRNJM-QWHCGFSZSA-N 323.393 -0.342 30 20 DBED CNC(=O)NCC(=O)N[C@H]1CCN(C(=O)C#CC2CC2)[C@H](C)C1 1075026669 HMBQVFHHVNSPLP-YPMHNXCESA-N 320.393 -0.176 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)[C@@H](CC)OC 1075861928 QXGOJZUMIAXJNQ-NWDGAFQWSA-N 311.382 -0.438 30 20 DBED C=CCCC(=O)NCC[C@H](C)NC(=O)CN(C)S(C)(=O)=O 1075886846 MOLWPVCLBCKWKH-NSHDSACASA-N 319.427 -0.145 30 20 DBED C#CCOCCC(=O)NCC[C@H](C)NC(=O)[C@@H]1CCC(=O)NC1 1076507905 ZSPUTXJWUZTIKJ-QWHCGFSZSA-N 323.393 -0.437 30 20 DBED Cn1cncc1CN1C[C@@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 1076854141 AMFORJXNGHJGCH-ZIAGYGMSSA-N 314.349 -0.405 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)c2cn(C)ccc2=O)C1 1077359898 GQDKKSQKKFTAET-DGCLKSJQSA-N 311.769 -0.087 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)Cn2c(C)cc(C)nc2=O)C1 1077904356 XSPJSOYIXVHSIE-ZIAGYGMSSA-N 318.377 -0.955 30 20 DBED N#CCN[C@H]1C[C@@H](NC(=O)c2nnc(O)nc2O)C12CCC2 1078670162 FVKSZZIUDLNUMK-JGVFFNPUSA-N 304.310 -0.563 30 20 DBED CCN(C(=O)C#CC1CC1)C1CN(C(=O)C[C@@H](C)NC(N)=O)C1 1079739547 XSJWQTUDMWBLJH-LLVKDONJSA-N 320.393 -0.094 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(N(CC)C(=O)[C@H]2CNC(=O)N2)C1 1080385147 HULWENPZCWLCQS-IAQYHMDHSA-N 324.381 -0.946 30 20 DBED CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)CN(C)C(=O)COC)C1 1080420281 QTRAIRQIJCMARN-LLVKDONJSA-N 324.381 -0.690 30 20 DBED C=CCCOCC(=O)N1C[C@H](CNC(=O)c2ccon2)[C@@H](O)C1 1081303646 YVFQBUWWBFNOPT-AAEUAGOBSA-N 323.349 -0.184 30 20 DBED C=CCC(CC=C)C(=O)N1C[C@H](CNC(=O)CC(N)=O)[C@@H](O)C1 1081368483 OEGATBHJJFFKSR-STQMWFEESA-N 323.393 -0.434 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)CNC(=O)CC)C[C@H]1O 1081442912 ZUQXIAAZBYFCJQ-QWHCGFSZSA-N 323.393 -0.748 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(CCOC)C[C@H]1OC 1081810033 DXMTTWNPTXLDSH-QLFBSQMISA-N 309.410 -0.454 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1ccc(C(N)=O)[nH]1 1083195956 YLDVHFWZEVTFJY-NWDGAFQWSA-N 303.322 -0.838 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cn(CC)nn1 1083235523 IEWAYEMUYYCUFM-UONOGXRCSA-N 303.366 -0.154 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2ccc(CCC(N)=O)cc2)C1 1083767748 TWOARFNNWJNFTB-KGLIPLIRSA-N 316.361 -0.597 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)Cn2c(C)cc(C)nc2=O)C1 1083894792 XSPJSOYIXVHSIE-KGLIPLIRSA-N 318.377 -0.955 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)[C@H]3COCCN3C(C)=O)C[C@@H]2C1 1088206793 GGTZVUQOZCKRCE-OWCLPIDISA-N 319.405 -0.353 30 20 DBED CCN(c1nccnc1C#N)[C@H](C)CNC(=O)CNC(=O)NC 1089770356 UAKFOWCNXYSCPR-SNVBAGLBSA-N 319.369 -0.392 30 20 DBED N#CCN1CC[C@H](NC(=O)c2cnc3n2CCOC3)[C@H](O)C1 1090336430 HGHITXIABLCDBQ-CMPLNLGQSA-N 305.338 -0.898 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2ccnc(OC)n2)[C@H](O)C1 1090423980 VGXOPFLQLCRXSG-DGCLKSJQSA-N 304.350 -0.327 30 20 DBED C=CCN1CC[C@H](NC(=O)c2ccc3nnnn3c2)[C@H](O)C1 1090429638 FPIRUDIFVKZCHI-NWDGAFQWSA-N 302.338 -0.525 30 20 DBED CC(=O)N(C)CC(=O)N1C[C@@H](N=c2cc[nH]c(C#N)n2)[C@H](C)C1 1090963347 XUKNTKSIWWEILU-ZYHUDNBSSA-N 316.365 -0.493 30 20 DBED CO[C@H](C)CCC(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1091096582 UNWJXZOYCSZSDK-UTUOFQBUSA-N 319.365 -0.171 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CCN(c2ccc(C#N)nc2)C[C@H]1O 1092128642 JQQPWQJYIKXSRD-ZIAGYGMSSA-N 317.349 -0.855 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1CNC(=O)[C@H]1CCc2nnnn2CC1 1092983470 QBSLFZWFFKQHBY-FRRDWIJNSA-N 317.397 -0.167 30 20 DBED N#Cc1nc(=NCCNC(=O)COC[C@@H]2CCOC2)cc[nH]1 1093866903 MUFPBBZJJUNIHS-LLVKDONJSA-N 305.338 -0.649 30 20 DBED Cc1cc(=NCCNC(=O)[C@@H]2CC(=O)N(C)C2)c(C#N)c[nH]1 1094190681 SVWNKNYTPIXWSU-LLVKDONJSA-N 301.350 -0.310 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)c3cn(C)nc3C)CC2=O)C1 1094714663 ZIEVFXMUKGZSNV-GFCCVEGCSA-N 317.393 -0.071 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CCCN(c2ccc(C#N)nn2)C1 1096133457 XHHVCUZXEQRAOD-GFCCVEGCSA-N 302.338 -0.431 30 20 DBED C[C@H](CNC(=O)CN1C(=O)CNC1=O)Nc1ccc(C#N)cn1 1097838263 XPMTVQDBEUEXAK-SECBINFHSA-N 316.321 -0.578 30 20 DBED N#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cc(=O)n2[nH]cnc2n1 1098213005 URRRXJJAKQILFN-KKZNHRDASA-N 313.321 -0.724 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)CCn2ccnn2)[C@@H](O)C1 1099799950 VMWMDPINTKAMGS-KBPBESRZSA-N 323.397 -0.578 30 20 DBED C=C(C)CCC(=O)N[C@H]1CCN(CCOCCO)C[C@@H]1O 1099857726 BABWWPVDZXIJJN-KBPBESRZSA-N 300.399 -0.097 30 20 DBED CN(CCNC(=O)CCc1cnn(C)n1)c1ccnc(C#N)n1 1100329135 NJFFTODFNZRWPN-UHFFFAOYSA-N 314.353 -0.338 30 20 DBED COCC#CCN1CC2(C[C@@H](NC(=O)COC)c3nccn32)C1 1101602342 CYPGZRGJWKBYHM-CYBMUJFWSA-N 318.377 -0.249 30 20 DBED CN(C)C(=O)CC(=O)N(C)[C@H]1CCN(c2nccnc2C#N)C1 1102764971 MAFMMECFSSVPMC-NSHDSACASA-N 316.365 -0.136 30 20 DBED CC[C@@H](CNC(=O)Cc1nc[nH]n1)N=c1cc[nH]c(C#N)n1 1103186769 QKKXQQPXOAFJEY-VIFPVBQESA-N 300.326 -0.562 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)c1ccc(O)nn1 1103850003 JIFAMSFNWXQNMY-VIFPVBQESA-N 313.321 -0.256 30 20 DBED C=CCNCc1cn(C2CN(C(=O)C[C@H]3CCNC3=O)C2)nn1 1105256822 UOTFAQORACKPDI-LLVKDONJSA-N 318.381 -0.537 30 20 DBED CN(CCN(C)c1ccc(C#N)cn1)C(=O)[C@H]1CNC(=O)N1 1105542170 GPLBEZFYQWUFEA-LLVKDONJSA-N 302.338 -0.471 30 20 DBED CC(C)[C@H]1N(C(=O)CNC(N)=O)C[C@@]12C[C@@H](O)[C@H](NCC#N)C2 1105594013 KGRDYEXVRACIAI-NLRBGTRBSA-N 323.397 -0.856 30 20 DBED Cc1cc(C(=O)NC[C@H](O)CN=c2cc[nH]c(C#N)n2)n(C)n1 1105733609 XCROSDKBQXKHBG-SNVBAGLBSA-N 315.337 -0.985 30 20 DBED C=CCOCC(=O)NC[C@@H](O)CNc1cc(C)nc(OC)n1 1105748695 YHKGZRSMMMQFHT-NSHDSACASA-N 310.354 -0.115 30 20 DBED N#Cc1nccnc1NC[C@H](O)CNC(=O)CCn1cccn1 1105756574 WOGSFEBOQJMZGU-LLVKDONJSA-N 315.337 -0.476 30 20 DBED Cc1[nH]nc(C(=O)NC[C@H](O)CNc2cnc(C#N)cn2)c1C 1105762277 NPRBWIAKFRDWEO-LLVKDONJSA-N 315.337 -0.109 30 20 DBED N#Cc1cccnc1NC[C@@H](O)CNC(=O)Cn1nccn1 1105984931 CZDQSFKAUXOUMO-NSHDSACASA-N 301.310 -0.866 30 20 DBED CC[C@H](NC(C)=O)C(=O)NC[C@H](O)CNc1cnc(C#N)cn1 1106124134 XEYYOTUMZYGSDR-NEPJUHHUSA-N 320.353 -0.848 30 20 DBED C[C@@H](O)CN1CC(n2cc(CNC(=O)C#CC3CC3)nn2)C1 1107169629 OPTSMQHKTKTROA-LLVKDONJSA-N 303.366 -0.455 30 20 DBED C[C@H](CNc1ccc(C#N)nc1)NC(=O)Cn1cnnc1O 1107726671 SMTLZYAHKBRNCN-SECBINFHSA-N 301.310 -0.133 30 20 DBED Cn1nncc1CN1CCO[C@](C)(CNC(=O)C#CC2CC2)C1 1107931750 AHIGFYBRKCZXAO-MRXNPFEDSA-N 317.393 -0.064 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)C[C@H]2CCN(C)C2=O)C1 1108015390 WUOASJMWHOKSMZ-CJNGLKHVSA-N 307.394 -0.305 30 20 DBED C=CCN1CCO[C@@](C)(CNC(=O)CC[C@@H]2NC(=O)NC2=O)C1 1108385982 VFRHUSHIQJLFSO-NHYWBVRUSA-N 324.381 -0.632 30 20 DBED C=CCN1CCO[C@@](C)(CNC(=O)CN2C(=O)CCC2=O)C1 1108386518 FPDHKQBKHRDMFV-HNNXBMFYSA-N 309.366 -0.472 30 20 DBED COCC#CCN1CCO[C@@](C)(CNC(=O)c2nonc2C)C1 1108439736 SGRAZLWKQHZAIC-HNNXBMFYSA-N 322.365 -0.151 30 20 DBED CC[C@@H](C(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1)N(C)C 1108577528 MCIUFVWCVCKRHB-AAEUAGOBSA-N 307.398 -0.749 30 20 DBED C[C@H](CN(C)c1ncccc1C#N)NC(=O)c1nnn(C)n1 1109179018 JMRLEFJLGSXHDD-SECBINFHSA-N 300.326 -0.269 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN(C)CC(=O)NC(C)C 1109488390 ULJYQKBIYGNVJQ-ILXRZTDVSA-N 320.437 -0.203 30 20 DBED C[C@]1(NC(=O)Cn2cncn2)CCN(c2cnc(C#N)cn2)C1 1110760578 PXJWKDGBTAQWGQ-AWEZNQCLSA-N 312.337 -0.275 30 20 DBED N#Cc1c[nH]ccc1=NC1(CNC(=O)[C@H]2C[C@H]2C(N)=O)CCC1 1111904168 MWEBXCCUJKMJQH-NEPJUHHUSA-N 313.361 -0.053 30 20 DBED Cc1cc(N2CCC(CO)(NC(=O)C(N)=O)CC2)c(C#N)cn1 1112673473 OQNPAQHXOSJZNQ-UHFFFAOYSA-N 317.349 -0.806 30 20 DBED COCCC(=O)NC[C@H]1CN(c2ccc(C#N)cn2)C[C@@H]1O 1112689895 TZELBYMQEMLIAX-STQMWFEESA-N 304.350 -0.097 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(c2ncc(F)cn2)C[C@H]1O 1112738793 RSJPIIHVIJDNRX-DGCLKSJQSA-N 322.340 -0.431 30 20 DBED O=C(CN1CCN(C(=O)C#CC2CC2)CC1)NC[C@@H]1CCOC1 1112832054 DDHQTWUTQYPQGN-HNNXBMFYSA-N 319.405 -0.303 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CN3CCC2CC3)CC1 1112857689 VRJHXZMLPNBVOA-OAHLLOKOSA-N 320.437 -0.225 30 20 DBED C[C@@H](N=c1cc[nH]c(C#N)n1)[C@@H](C)NC(=O)C(C)(C)C(N)=O 1113187718 DWBVRILEGQRZOS-RKDXNWHRSA-N 304.354 -0.413 30 20 DBED CC#CCCCC(=O)N1CCN([C@@H](C)C(=O)NC(N)=O)CC1 1113234969 NVEIGOMFOPMDCO-LBPRGKRZSA-N 308.382 -0.092 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCC(=O)N1C)N(C)c1ccc(C#N)nn1 1113830607 WZQYESHKZXMHDE-CMPLNLGQSA-N 316.365 -0.090 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)c3cn(C)nc3C)[C@@H]2C1 1114054655 OZHLFRLSTFQPOP-CHWSQXEVSA-N 315.377 -0.862 30 20 DBED C=CCCN1C[C@@H]2C(NC(=O)CN(C)S(C)(=O)=O)[C@H]2C1 1114363319 BNWXRPMLECYGIR-QWRGUYRKSA-N 301.412 -0.500 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)c3cncnc3O)[C@H]2C1 1114447552 QGJGNOUDNCGINO-ITGUQSILSA-N 302.334 -0.508 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@]3(C)CCCOC3)[C@H]2C1 1115022677 GBYYSIDNZGFTKY-RPCCPQHDSA-N 319.405 -0.401 30 20 DBED CN(CCOCCNC(=O)c1cc[nH]n1)c1cnc(C#N)cn1 1115171225 PMHIUYAGRFWITJ-UHFFFAOYSA-N 315.337 -0.046 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@H]1[C@@H]2CN(CCn3cncn3)C[C@@H]21 1115331904 GIRJSPLTRSMALO-IGQOVBAYSA-N 305.382 -0.084 30 20 DBED C#CCCCNC(=O)C(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1 1117426648 PGVRHQYUZWRRAU-NSHDSACASA-N 315.395 -0.992 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1C2CCC1CC2 1117634180 NPRVUXQUCWUEMR-UHFFFAOYSA-N 300.380 -0.143 30 20 DBED Cc1cc(NC(=O)C(=O)N2CCS(=O)(=O)CC2)ncc1C#N 1118374351 QFYJWUAJFWMGDZ-UHFFFAOYSA-N 322.346 -0.543 30 20 DBED C[C@@H](CN(C)C(=O)[C@@H]1CC(=O)N(C)C1)N=c1cc[nH]c(C#N)n1 1120863877 HAOWOCXFLVKHRG-WDEREUQCSA-N 316.365 -0.493 30 20 DBED Cc1cc(C#N)nc(N[C@H](CO)CNC(=O)C2=CCOCC2)n1 1121339321 IKTWQQFCIDSMMI-ZDUSSCGKSA-N 317.349 -0.108 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H](CO)Nc1cccc(F)n1 1121352804 FJSQMOADRICXJB-JTQLQIEISA-N 308.313 -0.751 30 20 DBED C=CCOCc1nnc(N2CCC(C(=O)NCCO)CC2)n1C 1121354932 HVJXXPNAJCHCCF-UHFFFAOYSA-N 323.397 -0.157 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)c2cccc(O)n2)nn1 1121426132 QETLVSPHRPZMLQ-SNVBAGLBSA-N 314.305 -0.348 30 20 DBED C#Cc1cncc(C(=O)NC[C@H](CO)Nc2cncc(C#N)n2)c1 1122508839 SWAYKRZSSLSEMX-CQSZACIVSA-N 322.328 -0.073 30 20 DBED CC[C@@H](NC(C)=O)C(=O)NC[C@@H](CO)Nc1ccc(C#N)nn1 1122644902 PYZSTQTWDQZXEB-NWDGAFQWSA-N 320.353 -0.848 30 20 DBED C#CCOCCN(C)C(=O)Cc1c(C)[nH]c2ccnn2c1=O 1124051367 IOPFCEKXRNVMDS-UHFFFAOYSA-N 302.334 -0.018 30 20 DBED Cc1nc(NC[C@@H](O)CN(C)C(=O)CNC(N)=O)ccc1C#N 1124076428 ISUXWILBNDYOLR-LLVKDONJSA-N 320.353 -0.839 30 20 DBED C=C[C@](C)(O)CC(=O)N(C)C[C@H](O)CN=c1cc[nH]cc1C#N 1124265994 BIEKCTFJYGBXNM-CJNGLKHVSA-N 318.377 -0.067 30 20 DBED CN(C[C@H](O)CNc1ncccc1C#N)C(=O)[C@@H]1COC(=O)N1 1124271507 LNTFPSPUDLEUFS-MNOVXSKESA-N 319.321 -0.707 30 20 DBED N#Cc1c[nH]c(C(=O)NCCNC[C@H](O)Cn2cccn2)c1 1125370262 KTQQUBZQPWKDSD-LBPRGKRZSA-N 302.338 -0.537 30 20 DBED CC(C)n1nnnc1CNCCNC(=O)c1ccc(C#N)[nH]1 1125776210 IXIQCHPBVJTZRO-UHFFFAOYSA-N 302.342 -0.027 30 20 DBED C#CCNC(=O)CC(=O)NCCNCc1nc2c(o1)CCCC2 1125997622 BQUBAFMZFFKLCD-UHFFFAOYSA-N 318.377 -0.101 30 20 DBED CCS(=O)(=O)NCCCNCCNC(=O)C#CC(C)C 1126811933 WPGYYVFQWPODIA-UHFFFAOYSA-N 303.428 -0.319 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cncc(COC)c1 1129759816 NHZHTOAYJCPUFN-UHFFFAOYSA-N 304.350 -0.703 30 20 DBED CC#CCN[C@@H]1CN(C(=O)c2cnon2)C[C@@H]1n1ccnn1 1130047928 ZTAQYENCFYBTSW-NEPJUHHUSA-N 301.310 -0.660 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1nncc2ccccc12 1131176239 TZSUBVZCCCIONP-UHFFFAOYSA-N 312.333 -0.411 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1cc(OCC)no1 1131422227 RJAVZINCFOWCSQ-JTQLQIEISA-N 308.338 -0.469 30 20 DBED CC#CCN[C@@H]1CCO[C@H]1C1CCN(C(=O)CC(N)=O)CC1 1131456533 RVIWWPOMMRMZJK-CJNGLKHVSA-N 307.394 -0.129 30 20 DBED C[C@H]1CC[C@@H](NC(=O)Cc2cnc[nH]2)CN1CC(=O)NCC#N 1132321949 MLJVAWHOOAEOHZ-NWDGAFQWSA-N 318.381 -0.439 30 20 DBED C[C@@H]1CC[C@H](NC(=O)c2cnn(C)n2)CN1CC(=O)NCC#N 1132345364 QBZVMMDQLIMALB-MNOVXSKESA-N 319.369 -0.962 30 20 DBED C=CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)CCn1cncn1 1133758802 NYNYTQOCDDAHMP-QWHCGFSZSA-N 322.413 -0.157 30 20 DBED COCC#CCN[C@@H](C)C[C@H](C)NC(=O)c1cc(=O)n(C)cn1 1134667104 XYSZTPXOFWNONR-STQMWFEESA-N 320.393 -0.083 30 20 DBED C#CCCN[C@H](C)C[C@H](C)NC(=O)Cn1nc(C)n(C)c1=O 1136055955 QMARJQDYGKWPJG-NEPJUHHUSA-N 307.398 -0.214 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)c1cc[nH]c1)C2 1147597942 LFQIYBSGEATTKE-UHFFFAOYSA-N 300.362 -0.088 30 20 DBED C=CCN1CCCO[C@H](CNC(=O)[C@H](C)NS(C)(=O)=O)C1 1150380421 UQXMPSIXUHYUMA-NWDGAFQWSA-N 319.427 -0.683 30 20 DBED N#CCN1CCCO[C@H](CNC(=O)CNC(=O)C2CCC2)C1 1150777029 CGJCKDNIJKNJEK-CYBMUJFWSA-N 308.382 -0.367 30 20 DBED COCCC1(NC(=O)[C@H]2CN(C)C(=O)N2)CCN(CC#N)CC1 1151247992 GRODMLJFOSNSHV-GFCCVEGCSA-N 323.397 -0.479 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H](C)CS(C)(=O)=O 1152626560 KPIIYUWBICTPCF-WDEREUQCSA-N 319.427 -0.936 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H](C)N(CC)Cc1nnc(C)o1 1152855025 TXGQRUITFDUAHF-LLVKDONJSA-N 321.381 -0.156 30 20 DBED COCC#CCNCCCNC(=O)c1cnc2c(c1)nnn2C 1162745814 AAZUZBHRNQBFCE-UHFFFAOYSA-N 316.365 -0.277 30 20 DBED C=C(C)C(C)(C)C(=O)NCCCNCC(=O)N1CCNC(=O)C1 1163855787 SQHBEAYUPHAKKH-UHFFFAOYSA-N 324.425 -0.357 30 20 DBED C=C(C)CNCC1(CCNC(=O)Cn2cnc(C(N)=O)n2)CC1 1164576879 ZXANBTAEIFYFFU-UHFFFAOYSA-N 320.397 -0.171 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)[C@]1(C)CCC(=O)N1 1166111392 KITVMCKZCDYELD-NHYWBVRUSA-N 310.398 -0.558 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)Cn1ccc(C)n1 1166913235 YLGGNJMBKBUJDP-ZDUSSCGKSA-N 307.398 -0.022 30 20 DBED C=CCN1CCO[C@H]2CCN(C(=O)C(=O)NCC(F)F)C[C@@H]21 1177042772 RTNQIAYSOOHYIS-QWRGUYRKSA-N 317.336 -0.145 30 20 DBED C=CCO[C@H](C)C(=O)NCCCNCC(=O)NCCCOC 1177269098 DVWMXPOJYMYKEY-CYBMUJFWSA-N 315.414 -0.174 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2cncnc2C)[C@H]1C 1178182466 PDMOYGGQUJHYBB-JSGCOSHPSA-N 315.377 -0.273 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)CNC(=O)CC)[C@H]1C 1178383608 BXQBVXUWOWEWKL-AVGNSLFASA-N 322.409 -0.771 30 20 DBED CCCN(C)CCC(=O)N1CC[C@H](NCC(=O)NCC#N)[C@@H]1C 1179975854 DZVAMVRCXSNTQY-KBPBESRZSA-N 323.441 -0.063 30 20 DBED O=C(CN[C@@H]1CCN(C(=O)C#CC2CC2)C1)NC[C@@H]1CCOC1 1182414799 PYLJYXFDVGIRDE-LSDHHAIUSA-N 319.405 -0.257 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2[nH]c(O)nc2C)C1 1183475485 MPFSVWAGIYUQEL-GHMZBOCLSA-N 321.381 -0.081 30 20 DBED C#CCCN[C@@H]1CCN(C(=O)[C@@H]2CCc3nnc(O)n3C2)C1 1183740016 WEEAZFRACCDXQA-VXGBXAGGSA-N 303.366 -0.240 30 20 DBED CCNC(=O)CC(=O)N1CC[C@H]2CN(CC#CCOC)C[C@H]21 1187621970 LLTPAUDAJCHGHG-UONOGXRCSA-N 307.394 -0.305 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](N(C)CC#CCOC)C1 1189760143 HULDPCRXYFYZNW-AWEZNQCLSA-N 305.378 -0.692 30 20 DBED CN(CC(=O)NC(N)=O)[C@H]1CCN(C(=O)C#CC(C)(C)C)C1 1190076032 INRQVFZDDYHQPZ-NSHDSACASA-N 308.382 -0.237 30 20 DBED CCC[C@H](C(=O)N1CC[C@@H](N(C)CC#N)C1)S(N)(=O)=O 1191551326 JSRYTUJQAKBYDN-GHMZBOCLSA-N 302.400 -0.500 30 20 DBED C=CCCO[C@@H](C)C(=O)N[C@@H]1CN(CC(=O)N(C)C)C[C@H]1O 1191613939 CQOHQBFKPCGGLF-YNEHKIRRSA-N 313.398 -0.783 30 20 DBED CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CC[C@@H](N(C)CC#N)C1 1192151681 BQAWCVXGMSKBSG-KGLIPLIRSA-N 318.381 -0.487 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)NC(=O)C2CCCC2)C1 1193166616 NQXVPRZRPFXTSV-MRVWCRGKSA-N 307.394 -0.524 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)C2(C(=O)N(C)C(C)C)CC2)C1 1197310434 CCUZIJWOKZUILH-CHWSQXEVSA-N 309.410 -0.019 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(Cc2nc(C)no2)C[C@H]1O 1199284639 MBTJKQPSOHSLCF-VXGBXAGGSA-N 310.354 -0.368 30 20 DBED CCN(C)C(=O)CNC[C@H]1CN(C(=O)[C@H](C)C#N)CCCO1 1200115594 NTDXMNATSWQLEX-OLZOCXBDSA-N 310.398 -0.169 30 20 DBED COCC#CCNC1CCN(C(=O)c2cc(=O)n(C)o2)CC1 1200247107 LCJRMQVIIFPDCB-UHFFFAOYSA-N 307.350 -0.178 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)C(C)(C)C(N)=O)CC1 1201143597 ZGCOTJSUSDMNAY-UHFFFAOYSA-N 310.398 -0.619 30 20 DBED CN(C)C(=O)C1(C(=O)N2CCCO[C@@H](CNCC#N)C2)CC1 1201833350 KCCVLJAINRUGEN-LBPRGKRZSA-N 308.382 -0.415 30 20 DBED C=CCOCC(=O)N[C@H]1C[C@@H](NCC(=O)NC(N)=O)C12CCC2 1202634538 SARRQBZOZVKFPZ-MNOVXSKESA-N 324.381 -0.599 30 20 DBED C#CCCNCC1CCN(C(=O)CCNS(C)(=O)=O)CC1 1205415705 IAMQSHAPNIGIMB-UHFFFAOYSA-N 315.439 -0.223 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)c2cnns2)C1 1207506900 MFNCKVUROUTUPU-SNVBAGLBSA-N 307.379 -0.518 30 20 DBED COCC#CCN[C@@H]1CCCN(C(=O)c2nccnc2N)C1 1207704277 CDQZKRHMJXDCGL-GFCCVEGCSA-N 303.366 -0.097 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@H](NCc2cn(C)nn2)C1 1207869795 LNNNLBAYLRGTMI-LBPRGKRZSA-N 318.381 -0.965 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@@H](NCc2ncccn2)C1 1207869960 NJNVJUMEKDDFAR-CYBMUJFWSA-N 315.377 -0.303 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1NC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1 1208044202 BLYBFNWBLNDOEF-LPWJVIDDSA-N 308.382 -0.240 30 20 DBED COc1nc(C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@H]2C)co1 1208139349 WCKFUYHWDMKOGX-NXEZZACHSA-N 321.337 -0.627 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)CCc1cn[nH]c1 1209309906 XGHSEQADRYNKEF-DGCLKSJQSA-N 318.381 -0.581 30 20 DBED CO[C@@H]1CN(CCN2CCNC2=O)C[C@H]1NC(=O)C#CC1CC1 1212250547 AJRIAYUXXCIPMG-ZIAGYGMSSA-N 320.393 -0.760 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(Cc2cnn(C)n2)C[C@H]1OC 1213959612 SOIVCHBXJHALPY-ZIAGYGMSSA-N 323.397 -0.277 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2cocn2)C[C@H]1C 1214320613 XZPLZEMIZNDSHD-IJLUTSLNSA-N 304.350 -0.137 30 20 DBED CCn1ncc(C(=O)N2C[C@@H](NCC#CCOC)[C@H](C)C2)n1 1214558263 UMWSXOPIRJBHEL-TZMCWYRMSA-N 305.382 -0.002 30 20 DBED COCCOC[C@@H](O)CN[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C 1214579749 LGZPMIONKBFZBW-VNQPRFMTSA-N 324.421 -0.140 30 20 DBED Cc1n[nH]cc1C(=O)N1C[C@@H](NCC(=O)NCC#N)[C@H](C)C1 1215274780 FRLZMYCTOPADKA-BXKDBHETSA-N 304.354 -0.592 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)CCC2CC2)C1 1219406575 YNYITFBLIVOMDG-YUTCNCBUSA-N 307.394 -0.524 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)[C@H](C)n2cncn2)C1 1219472133 FVEPBLZFMUEABN-XQQFMLRXSA-N 309.370 -0.797 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCCCN2C)C1 1219880069 XKPPQCHVSWSYBT-ILXRZTDVSA-N 311.426 -0.165 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@H](NC(C)=O)C2CCCC2)C1 1219975277 GBIKKWURMUYHRL-OWCLPIDISA-N 321.421 -0.134 30 20 DBED CC#CCCCC(=O)N[C@@H]1CN(CC(=O)N(C)CC)C[C@@H]1O 1220176654 RUYGREVIVHZXFC-KGLIPLIRSA-N 309.410 -0.180 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)CCCCN2CCOCC2)C1 1220545454 ACCGEPOVQNCYAX-KGLIPLIRSA-N 310.398 -0.826 30 20 DBED C=C(Cl)CN1CC[C@@H]2CN(C(=O)CS(=O)(=O)NC)[C@@H]2C1 1222022707 WHVSBEZRDSOBJN-GHMZBOCLSA-N 321.830 -0.179 30 20 DBED COCC#CCN[C@@H]1CCCN(C(=O)CCc2cn(C)nn2)C1 1222129462 FCQYXLWNKNDDMJ-CQSZACIVSA-N 319.409 -0.022 30 20 DBED N#CCNC(=O)CN1CCC(NC(=O)c2cc[n+]([O-])cc2)CC1 1225897712 VIORGOKZUUIGMM-UHFFFAOYSA-N 317.349 -0.846 30 20 DBED COCC#CCN1CCC(NC(=O)C2CN(C(C)=O)C2)CC1 1227031232 ZAUPSMSXGSWGDX-UHFFFAOYSA-N 307.394 -0.305 30 20 DBED O=C(C#CC1CC1)NC1CCN(CCN2C(=O)CNC2=O)CC1 1227299249 NUOITUUVCKSGIQ-UHFFFAOYSA-N 318.377 -0.468 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)[C@H]2CC(=O)N(C)C2)CC1 1227617943 AEPMHYQRKMWOOX-LBPRGKRZSA-N 322.409 -0.653 30 20 DBED COC1CC(C(=O)NC2CCN(CC(=O)NCC#N)CC2)C1 1227916592 QRZXZGJXEIGCAU-UHFFFAOYSA-N 308.382 -0.368 30 20 DBED Cc1cc(C)n(-c2nncn2N=Cc2cn(CC(=O)O)nn2)n1 1253173454 NVKMMSGBTIANMI-UHFFFAOYSA-N 315.297 -0.361 30 20 DBED C=CCC1(O)CCN(C(=O)C(=O)NCC[S@](C)=O)CC1 1262122443 IDWOCFFVLYYJBX-FQEVSTJZSA-N 302.396 -0.589 30 20 DBED Cn1ccc(=O)n(CCCNC(=O)C2(C#N)CCOCC2)c1=O 1322542026 DPAGNJPWUKAENA-UHFFFAOYSA-N 320.349 -0.626 30 20 DBED C=CCSCCNC(=O)C(=O)NCCNC(=O)C(C)C 1323575412 PRJANEMNTHOZRR-UHFFFAOYSA-N 301.412 -0.090 30 20 DBED CC[C@@H]1CO[C@@H](C)CN1C(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1327020515 CVEYOSISEIEVMY-ZOWXZIJZSA-N 309.366 -0.111 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)N[C@H]2CCCNCC2)CCN1C1CC1 1333978429 GAOVZBBQVNJHAK-JSGCOSHPSA-N 319.409 -0.557 30 20 DBED C=CCN(C[C@H](O)C[C@]1(O)CCOC1)[C@@H]1CCS(=O)(=O)C1 1335565834 QECLYSWJLULFOS-MGPQQGTHSA-N 319.423 -0.436 30 20 DBED C#CCN(C)c1nnnn1Cc1cccc(S(=O)(=O)NC)c1 1335705216 UVGWBUYTYVCGPE-UHFFFAOYSA-N 320.378 -0.301 30 20 DBED CCO[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@@](F)(C#N)C2)[C@@H]1OC 1347233829 INDYDGSAROWWGY-BBGACYKPSA-N 313.329 -0.241 30 20 DBED COCC(=O)NC1CCN(C(=O)[C@H](C)n2cnc(C#N)n2)CC1 1362096261 BBFGLYFVSGXBLR-JTQLQIEISA-N 320.353 -0.536 30 20 DBED C[C@H](Nc1[nH]c(=O)n(C)c(=O)c1C#N)c1nnc2n1CCC2 1363736236 LEQNWWGJOIEOBC-ZETCQYMHSA-N 301.310 -0.344 30 20 DBED C=C(Cl)CN(C)CCN(C)C(=O)CN1CCOCC1=O 1367516756 SJXBNPUSMKDWAG-UHFFFAOYSA-N 303.790 -0.012 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1C[C@@H](NC(=O)CCc2nc[nH]n2)C1 1371708600 XASUUHANHKZVPQ-MXWKQRLJSA-N 304.354 -0.092 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1C[C@@H](NCC(=O)NC2CCOCC2)C1 1388669273 CPIHMURFUWTNAA-SGMGOOAPSA-N 322.409 -0.074 30 20 DBED C[C@@H](CN(C)C(=O)c1cc(C#N)c[nH]1)NC(=O)c1cnnn1C 1395554831 NUNULRRVXXDDJR-VIFPVBQESA-N 315.337 -0.095 30 20 DBED C[C@@H](C#N)C(=O)NCC1CN(C(=O)CNC(=O)N2CCCC2)C1 1409176035 PWZLZINDVCWEJX-NSHDSACASA-N 321.381 -0.474 30 20 DBED C[C@]1(O)CCCN(C(=O)CCn2cc(C#N)c(O)nc2=O)C1 1411932527 NPOLKIOVOCOGDF-AWEZNQCLSA-N 306.322 -0.416 30 20 DBED CCc1cc(C(=O)NCCn2cc(C#N)c(O)nc2=O)n[nH]1 1412369277 BYVBPJPKHWXETQ-UHFFFAOYSA-N 302.294 -0.464 30 20 DBED CN(CC(=O)NCCn1cc(C#N)c(O)nc1=O)C1CCC1 1413311752 VZPFIBDDDYCTSN-UHFFFAOYSA-N 305.338 -0.579 30 20 DBED CC[C@H](C(N)=O)N1CC[C@](O)(CNC(=O)c2cc(C#N)c[nH]2)C1 1421352694 KIWDIJDJBDRENR-DOMZBBRYSA-N 319.365 -0.683 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H](C)CNC(=O)CCCS(C)(=O)=O 1426713957 IBWXQKKGKVBAAA-WDEREUQCSA-N 317.411 -0.066 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C)C(=O)c1cccc(C(N)=O)n1 1429456634 ZKXDTGGZZUEKPA-VIFPVBQESA-N 303.322 -0.472 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H](O)CNC(=O)[C@H]2CCCCO2)c1 1452336798 UABZZNFHKROGEA-WCQYABFASA-N 320.349 -0.338 30 20 DBED Cc1occc1C(=O)NCC(=O)N1CC(NC(=O)[C@@H](C)C#N)C1 1456397150 QVXCKZHHYOCVHO-VIFPVBQESA-N 318.333 -0.196 30 20 DBED CNC(=O)NC(=O)[C@@H](C)N[C@@H](C)CNC(=O)c1cc(C#N)c[nH]1 1480442231 ICLKPZVVQJQNMY-DTWKUNHWSA-N 320.353 -0.562 30 20 DBED C=C(Cl)CNC[C@H](C)N(C)C(=O)C[C@H](NC(C)=O)C(N)=O 1482339369 PZVUXEUUIHTBEU-ONGXEEELSA-N 318.805 -0.445 30 20 DBED CCN(CCNC(=O)[C@@H](C)C#N)C(=O)[C@H]1CCc2nncn2C1 1529069969 SUAUEJRERYIGGZ-RYUDHWBXSA-N 318.381 -0.035 30 20 DBED C=CCOC[C@@H](NC(=O)CO[C@@H]1CCCNC1)C(=O)OC 1574944177 ZEOASHYHRLGMBG-VXGBXAGGSA-N 300.355 -0.385 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N2CCC[C@H]3CC[C@@]32CN)CCO1 1580041947 KIQCILOMVNWDFC-YNEHKIRRSA-N 314.411 -0.341 30 20 DBED Cn1ncnc1C1(O)CN(c2c(C#N)cccc2-c2nn[nH]n2)C1 1581841010 RWYDGDSEWLQBRH-UHFFFAOYSA-N 323.320 -0.425 30 20 DBED C#CCN1CCC(C(=O)N2CCC[C@H]2C(=O)NCC(=O)O)CC1 1588471463 PLHZXYRCMQNMBF-ZDUSSCGKSA-N 321.377 -0.477 30 20 DBED C=CCN1CC(CCO)(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1588654179 ASZHWVMDRTUWMY-UHFFFAOYSA-N 317.353 -0.453 30 20 DBED C=CCNC(=O)CNCC1CCN(C(=O)[C@H]2C[C@H]2C(=O)O)CC1 1588844849 XBFLHSOXOGUGGH-QWHCGFSZSA-N 323.393 -0.163 30 20 DBED C#CCN(CC(=O)O)c1nnnn1C[C@@H]1C[C@@H]2COC[C@@H]2O1 1602700592 AORFFKIJVCDVMK-VWYCJHECSA-N 307.310 -0.999 30 20 DBED C#Cc1ccccc1CC(=O)NCCn1cnc(-c2nn[nH]n2)n1 1609021747 AWGPRUARKVRVIT-UHFFFAOYSA-N 322.332 -0.202 30 20 DBED N#CCOc1cccc(CNC(=O)N2CCO[C@@H](C(N)=O)C2)c1 1649701083 LVEXVXXKBUVWAX-CYBMUJFWSA-N 318.333 -0.015 30 20 DBED C[C@@H](CCN1CCN(C)CC1)Nc1[nH]c(=O)n(C)c(=O)c1C#N 1650232294 COFSZNFOWDHQQG-NSHDSACASA-N 320.397 -0.617 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H]1CCCN(Cc2ncnn2C)C1 1713789490 YPJGQEOVBYEHGX-STQMWFEESA-N 305.382 -0.066 30 20 DBED CCn1nc(C)c(C(=O)NC[C@H](C)NCC(=O)NCC#N)c1C 1752907636 HXWQSJPYPLGOJH-JTQLQIEISA-N 320.397 -0.132 30 20 DBED C#CCNC(=O)[C@@H](C)NCC[C@H](C)NC(=O)c1cccnn1 1754008764 PUVLWBBOBPOSFI-NWDGAFQWSA-N 303.366 -0.288 30 20 DBED C#CCNC(=O)CNC/C=C/CNC(=O)c1c[nH]c(C)cc1=O 1754191327 WMQFCUSVONLSII-SNAWJCMRSA-N 316.361 -0.692 30 20 DBED C[C@@H](CNCC(=O)NCC#N)NC(=O)C1(c2cccnc2)CC1 1754279620 BITWYANBBNIEPC-LBPRGKRZSA-N 315.377 -0.153 30 20 DBED C#CCNC(=O)CNC[C@H](NC(=O)c1cn(CC)cn1)C1CC1 1754457284 JVXAPIXFDUIMMP-ZDUSSCGKSA-N 317.393 -0.250 30 20 DBED N#CCNC(=O)CN1CC[C@H]1CNC(=O)c1cc2c([nH]1)CCC2 1754500863 SMHBKYLZGGVEMU-LBPRGKRZSA-N 315.377 -0.053 30 20 DBED CCN1CCOC[C@@H]1C(=O)N(C)C1CN(CC#CCOC)C1 1754577293 QFCSVMVAOCNYMH-OAHLLOKOSA-N 309.410 -0.501 30 20 DBED C#CCNC(=O)[C@@H](C)NCCN(CCO)C(=O)[C@@H]1CCC1(C)C 1754889593 URULBLAVHQYSHA-KGLIPLIRSA-N 323.437 -0.029 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)c2ccn(C)n2)C[C@H]1C 1755166147 WCAKGBLJYBVHBL-OLZOCXBDSA-N 317.393 -0.248 30 20 DBED C#CCNCC1CC(NC(=O)Cn2nc3ccccn3c2=O)C1 1755215218 IRGAMGRXDQIECS-UHFFFAOYSA-N 313.361 -0.386 30 20 DBED C=CCNC(=O)CNC[C@H]1C[C@H](NC(=O)c2[nH]nnc2C)C1 1755475610 GGYHQSSAEFNSAR-XYPYZODXSA-N 306.370 -0.487 30 20 DBED C#CCN[C@@H](CO)CNC(=O)Cc1c(OC)cccc1OC 1755642287 KIKVSNUJIDXQSQ-GFCCVEGCSA-N 306.362 -0.054 30 20 DBED C#CCCN[C@@H]1CCN(C(=O)CN(C)S(=O)(=O)CC)[C@H]1C 1755662656 AMFHADUWGQFRCL-QWHCGFSZSA-N 315.439 -0.130 30 20 DBED C[C@H]1C[C@@H](NCC(=O)NCC#N)CN1C(=O)c1ccncc1 1755668270 BYNNBZPSGDULKX-WCQYABFASA-N 301.350 -0.086 30 20 DBED C[C@H]1C[C@@H](NCC(=O)NCC#N)CN1C(=O)c1ccns1 1755676141 NTYDUEZBLLNFMW-VHSXEESVSA-N 307.379 -0.025 30 20 DBED COCC#CCNC[C@@H](O)CN(C)C(=O)c1c(C)ncnc1O 1755785813 PJHPQMOONMPCNU-GFCCVEGCSA-N 322.365 -0.837 30 20 DBED C#CCCN(C)C[C@H](O)CN(C)C(=O)[C@@]1(C)CCNC(=O)C1 1755802449 VOOIIAKOVWGJLY-BBRMVZONSA-N 309.410 -0.323 30 20 DBED C=CCN(C)C[C@H](O)CN(C)C(=O)c1c(C)c(C)nn(C)c1=O 1755804450 NDSYDLAMGUSBGH-ZDUSSCGKSA-N 322.409 -0.052 30 20 DBED N#CCSCC(=O)NCC1CC(NC(=O)C2(C(N)=O)CC2)C1 1755942630 FEMFLMRQNBAKNZ-UHFFFAOYSA-N 324.406 -0.480 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)CNC(N)=O)C1 1756160213 PYMLSOGALLPSGD-JLLWLGSASA-N 324.381 -0.791 30 20 DBED C#CCCCC(=O)N1CCO[C@@]2(CCN(C(=O)CC(N)=O)C2)C1 1756166996 CRJDWFHNMSZHLW-MRXNPFEDSA-N 321.377 -0.505 30 20 DBED Cn1cnc(C(=O)N[C@@H](CO)CNC(=O)C#CC(C)(C)C)n1 1756519938 QVIOPSHKDCZYKH-SNVBAGLBSA-N 307.354 -0.929 30 20 DBED C#CCOCCC(=O)N[C@@H]1CC[C@H](CNC(=O)CC(=O)NC)C1 1756642111 PPVMNSZZFSBFJC-QWHCGFSZSA-N 323.393 -0.437 30 20 DBED CN(C[C@@H](O)CNC(=O)C#CC1CC1)C(=O)c1ccc(O)nc1 1756678075 GSNMFXKGMBPTES-ZDUSSCGKSA-N 317.345 -0.250 30 20 DBED CO[C@@H]1CN(C(=O)[C@H]2COC(=O)N2)C[C@H]1NC(=O)C#CC(C)C 1757127567 KZYGSJYPVJHMCY-IJLUTSLNSA-N 323.349 -0.904 30 20 DBED C=CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CNC(=O)C1)CCO2 1783922700 YDDVLSHZNJCTNM-LRDDRELGSA-N 321.377 -0.472 30 20 DBED CN(C)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC#N 1795418722 KIHRKOLGUFDXKE-YWVIFJGQSA-N 322.409 -0.169 30 20 DBED C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCC(C#N)CC1 57907597 TWQIJZRFAHZFEU-VIFPVBQESA-N 319.365 -0.527 30 20 DBED C=CCNC(=O)NC(=O)CN1CCN(Cc2nc(C)no2)CC1 58469450 LINGTSQOKBJQPU-UHFFFAOYSA-N 322.369 -0.493 30 20 DBED C[C@H](C#N)CNS(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1 173975633 DMOGVJBPQOSCSG-SSDOTTSWSA-N 308.319 -0.346 30 20 DBED C=CCOC[C@@H](NC(=O)CS(=O)(=O)N(CC)CC)C(=O)O 263072877 RNRGPOOSSZWPCO-SNVBAGLBSA-N 322.383 -0.570 30 20 DBED N#C[C@@H]1CN(C(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)CCO1 264451458 CUIPRXBPJHWAML-ZCURGHERSA-N 315.329 -0.456 30 20 DBED C#CCOc1cccc(NC(=O)C(=O)NCCC(=O)NC)c1 264725103 JRTQVSSPSSVWAR-UHFFFAOYSA-N 303.318 -0.111 30 20 DBED N#C[C@@H]1COCCN1S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 266129879 AUOPVRDKYQIPMM-LLVKDONJSA-N 321.358 -0.114 30 20 DBED COC(=O)c1ccc(S(=O)(=O)N2CCOC[C@@H]2C#N)o1 266175311 KDMCUBUNCGEACO-QMMMGPOBSA-N 300.292 -0.021 30 20 DBED C=CCS(=O)(=O)CCNC(=O)c1nc2nccc(C)n2n1 272877102 PWLIZNHXZLOFQG-UHFFFAOYSA-N 309.351 -0.237 30 20 DBED CNS(=O)(=O)NC1CCN(c2nnc(C)c(C)c2C#N)CC1 280984365 NTLPHTPRJJAICA-UHFFFAOYSA-N 324.410 -0.012 30 20 DBED N#Cc1cncc(S(=O)(=O)NCC(=O)NCC(F)(F)F)c1 289836550 OXMVNMPIMKJRJL-UHFFFAOYSA-N 322.268 -0.090 30 20 DBED C=C[C@@H](CO)NC(=O)c1cc(C(=O)N[C@H](C=C)CO)ccn1 290719049 XMLNWBYZBQZNEU-NEPJUHHUSA-N 305.334 -0.365 30 20 DBED CCS(=O)(=O)NCC/N=C(/O)NCC(=O)N1CCCCC1 330393804 CITFIOBJQUDTQT-UHFFFAOYSA-N 320.415 -0.558 30 20 DBED N#C[C@H]1COCCN1C(=O)CSCC(=O)N1CCOCC1 330890411 HGHXLPUQWYNQPV-NSHDSACASA-N 313.379 -0.671 30 20 DBED CN(CCC#N)C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C 332731741 RTJCSVBXXMHADN-UHFFFAOYSA-N 301.306 -0.382 30 20 DBED CC(C)(O)[C@H]1CCCN1S(=O)(=O)N1CCO[C@H](C#N)C1 336900547 BJFMTJQDRHZLJE-GHMZBOCLSA-N 303.384 -0.309 30 20 DBED Cc1cc(NC(=O)NCCNS(C)(=O)=O)nn1CCC#N 348138591 ISLIVDXZYGJCLV-UHFFFAOYSA-N 314.371 -0.224 30 20 DBED CCN(CC(=O)NC(C)C)C(=O)Cn1c(N)nc(C#N)c1C#N 355862003 PTTPNHTXUQQEFO-UHFFFAOYSA-N 317.353 -0.418 30 20 DBED CN(C)CCN(Cc1ccco1)C(=O)NCC(=O)NCC#N 358273711 KLJZVOOIBIGTPT-UHFFFAOYSA-N 307.354 -0.007 30 20 DBED C=C[C@H](CO)NC(=O)NCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 358910153 YMHFNBNRUBGMBJ-KIJLLGNVSA-N 319.361 -0.360 30 20 DBED C=CCOC[C@H](NC(=O)c1ccc(C(N)=O)nc1)C(=O)OC 360746987 QXTUQEUJYINEON-NSHDSACASA-N 307.306 -0.346 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCCNC(=O)[C@@H]1C 374399077 AADOIAXZZZKLGG-MNOVXSKESA-N 302.400 -0.077 30 20 DBED C=CCCn1cc(C(=O)N2CCC[C@H](C(=O)NCCN)C2)nn1 424057740 JXXNMTZROXKOEY-LBPRGKRZSA-N 320.397 -0.219 30 20 DBED C=C(C)CS(=O)(=O)N1Cc2nnc(O)n2C[C@@H]1C(=O)O 424391411 MYSKQZDREINILS-SSDOTTSWSA-N 302.312 -0.842 30 20 DBED C=C[C@H](CO)NC(=O)CSc1nnnn1CC(F)(F)F 426857478 ICRNFZRWKPDTPI-ZCFIWIBFSA-N 311.289 -0.009 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CCCN2C2CC2)CC1 491179322 FBVUBCMNZSCYIG-OAHLLOKOSA-N 318.421 -0.493 30 20 DBED C#CCNC(=O)C1CCN(CC(=O)NC(=O)NCCC)CC1 491203456 WINFQWKYMCBLEO-UHFFFAOYSA-N 308.382 -0.316 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)C(=O)OC(C)(C)C)CC1 491638533 XPVSAOXQHFKZOC-UHFFFAOYSA-N 309.366 -0.778 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@@H](O)CCCCC)CC1 491646328 SUNSZWOHKUVDMA-AWEZNQCLSA-N 309.410 -0.179 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)NC1CN(C(=O)OC)C1 495713274 WSSLXUONLJDSSF-SECBINFHSA-N 304.372 -0.247 30 20 DBED N#CCNC(=O)CNC(=O)[C@@H]1CC(=O)N(C2CCCCC2)C1 557782713 MXRIAHOEBFEZOA-LLVKDONJSA-N 306.366 -0.076 30 20 DBED CN(C)c1cc(C#N)cc(C(=O)N[C@@]2(C(N)=O)CCOC2)c1 569624160 RRUWDCJHNQGHIX-HNNXBMFYSA-N 302.334 -0.002 30 20 DBED Cc1cc(C#N)ccc1S(=O)(=O)NC[C@H](O)Cn1ccnn1 572736494 XUGQPGDQVKWXPV-LBPRGKRZSA-N 321.362 -0.202 30 20 DBED CNS(=O)(=O)NC1CCN(Cc2ccc(C#N)cn2)CC1 577527508 WMMVRMABWKFRKS-UHFFFAOYSA-N 309.395 -0.029 30 20 DBED Cn1nnc2c1CC[C@H](NS(=O)(=O)c1cncc(C#N)c1)C2 594478830 LDLJOLIKQZWOIM-JTQLQIEISA-N 318.362 -0.082 30 20 DBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H]1CC(=O)N1 597374608 KVFGTNXNXQPUDC-NXEZZACHSA-N 300.322 -0.726 30 20 DBED Cc1c(C#N)c(=O)n(CC(=O)NCC(F)(F)F)c(=O)n1C 603357690 IDIZYCQLQGDNKX-UHFFFAOYSA-N 304.228 -0.594 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@H](CN(C)C)C2)C1=O 603553971 JWCXVUDIPVXCKB-LLVKDONJSA-N 322.365 -0.627 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@H](C)[C@@H](CO)C2)C1=O 622227009 DMPKXHJLVGVZGD-GHMZBOCLSA-N 323.349 -0.560 30 20 DBED CC#CC[C@@H](CO)NC(=O)NC1CCN(CC(=O)NC)CC1 645167762 GGBXCEKPQPQDPT-ZDUSSCGKSA-N 310.398 -0.730 30 20 DBED CC#CC[C@H](CO)NC(=O)NC[C@H](C)CN1CCN(C)CC1 645326089 IHGDHHWOFCLZJC-LSDHHAIUSA-N 310.442 -0.057 30 20 DBED CNC(=O)[C@@H](C#N)C(=O)[C@H](C)N1C(=O)NC2(CCCC2)C1=O 726731897 PJFKJKTTWSJMLJ-IUCAKERBSA-N 306.322 -0.306 30 20 DBED Cc1cc(O)cc(=O)n1[C@@H](C)C(=O)OCC(=O)NCCC#N 764021743 VGBMHLPOZYBFJF-JTQLQIEISA-N 307.306 -0.004 30 20 DBED C#C[C@H](NC(=O)C(=O)NC[C@@H](C)Cn1cccn1)[C@@H]1CCCO1 790213453 NJSXCPJBWKVWIM-RDBSUJKOSA-N 318.377 -0.068 30 20 DBED C#CCC[C@@H](O)CNC(=O)c1ccc(S(=O)(=O)NC)nc1 799081059 GDEVKAYOQGLTCN-LLVKDONJSA-N 311.363 -0.506 30 20 DBED C#CCCS(=O)(=O)N1CCC(N(C)S(C)(=O)=O)CC1 808284774 LRHWBRSHUUKGPY-UHFFFAOYSA-N 308.425 -0.305 30 20 DBED C#CCNS(=O)(=O)N1CCN(CCc2ccncc2)CC1 809968263 SGBMRHCEWLOTHT-UHFFFAOYSA-N 308.407 -0.291 30 20 DBED Cc1onc(N)c1S(=O)(=O)NC(=O)c1ccnc(C#N)c1 810829441 PXMRKRPURXVCBI-UHFFFAOYSA-N 307.291 -0.049 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)c2cn(C)c(O)n2)CC1 820074337 HYVNLNQYAJWQKN-UHFFFAOYSA-N 307.354 -0.814 30 20 DBED CCN(C[C@@H](C)C#N)c1c(-c2nn[nH]n2)c(=O)n(C)c(=O)n1C 821170109 MOYBBIRIKWSPCS-QMMMGPOBSA-N 318.341 -0.750 30 20 DBED COCCN1CN(C(=O)c2cccc(C#CCO)c2)CC1=O 824414690 FPGKVQRZDRGEHP-UHFFFAOYSA-N 302.330 -0.081 30 20 DBED CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CNC[C@@H]2C#N)c1 834516810 MEZHLOBKJNIUEM-WCQYABFASA-N 322.390 -0.174 30 20 DBED CC#CCN(C)C(=O)NCCS(=O)(=O)N1CCOCC1 838056787 CCNGKSAXVNTPJM-UHFFFAOYSA-N 303.384 -0.687 30 20 DBED C[C@@]1(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CCNC1 852926953 CFTXNEWNCAWENI-CQSZACIVSA-N 322.390 -0.407 30 20 DBED C#CC[C@H](CCOC)NC(=O)NC1CCN(CC(=O)NC)CC1 858136249 JXPQSIJDBXVXBQ-CYBMUJFWSA-N 324.425 -0.076 30 20 DBED C=CCN(C(=O)CN(C)C(=O)C=C)[C@H]1CCS(=O)(=O)C1 858680100 SSDGKHJLAAMHCT-NSHDSACASA-N 300.380 -0.168 30 20 DBED C=C(Cl)Cn1cc(CNS(=O)(=O)N2CCNCC2)nn1 881426346 CTHSEGRKYNMWTM-UHFFFAOYSA-N 320.806 -0.730 30 20 DBED CN(C)S(=O)(=O)CCS(=O)(=O)N(C)CC(C)(C)C#N 882220937 OSFDGNRDCKHHFD-UHFFFAOYSA-N 311.429 -0.311 30 20 DBED C#CC1(O)CN(C(=O)c2ccc([C@@]3(C)NC(=O)NC3=O)cc2)C1 890523287 NWAMNTDYFBEQSR-OAHLLOKOSA-N 313.313 -0.439 30 20 DBED C#CC[C@H]1NC(=O)N(C2CCN(S(=O)(=O)CC)CC2)C1=O 927328492 MUIBAPMLCHGZIB-LLVKDONJSA-N 313.379 -0.256 30 20 DBED CN(C(=O)[C@H]1CCC(=O)NC1)[C@@H]1CCN(C(=O)C#CC2CC2)C1 937350583 WYPUPXBWBQTUHW-UONOGXRCSA-N 317.389 -0.015 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC(=O)N1C 937555494 QFVGEOKDECEOQX-BJDJZHNGSA-N 304.350 -0.421 30 20 DBED C[C@@]1(C(=O)N[C@H]2CCN(C(=O)C#CC3CC3)C2)CCNC1=O 938809454 RJVUIVIBOOGVNG-BLLLJJGKSA-N 303.362 -0.357 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](N(C)C(=O)CN2CCCC2=O)C1 939392177 LDRURFFORJJAQA-NWDGAFQWSA-N 306.366 -0.172 30 20 DBED C[C@@H](C#N)C(=O)N1[C@H]2CCC[C@H]1CN(C(=O)[C@@H]1CNC(=O)N1)C2 952780781 FFASVKDOZTZUMX-BJDJZHNGSA-N 319.365 -0.581 30 20 DBED C[C@@H](C#N)C(=O)N1CC(N(C)C(=O)c2nnn(C(C)(C)C)n2)C1 954471115 YQWUPSCNWJMHSE-VIFPVBQESA-N 319.369 -0.129 30 20 DBED C#CCCN1C[C@H](CNC(=O)c2ncc(OC)cn2)[C@@H](O)C1 958242527 CYXWOECDNORDOM-AAEUAGOBSA-N 304.350 -0.469 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](CNC(=O)c2cn(C)ccc2=O)C1 958248893 QBLVKLNLPFWICM-DOMZBBRYSA-N 305.378 -0.016 30 20 DBED CC#CCN1C[C@H](O)[C@H](CNC(=O)c2coc(COC)n2)C1 958550658 DIFROXLLWHUHJI-YPMHNXCESA-N 307.350 -0.133 30 20 DBED C#CCN1C[C@@H]2C(NC(=O)C3CC4(C3)CS(=O)(=O)C4)[C@H]2C1 960555382 RLJAUORUIZWTQN-RYUDHWBXSA-N 308.403 -0.509 30 20 DBED C=CCN1C[C@H]2[C@H](NC(=O)[C@@H]3CCc4nnc(O)n4C3)[C@H]2C1 960654052 KUMLWJIJOFAMPM-DCQANWLSSA-N 303.366 -0.222 30 20 DBED C=CCN1CC[C@@H](N(C)C[C@H]2CCCN2C(=O)C(N)=O)C1=O 960830902 NLBQSFCRWDSIRV-VXGBXAGGSA-N 308.382 -0.819 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC3(F)F)C[C@@H]2O)[nH]1 962329885 SPLXQHORCAZCNE-IEBDPFPHSA-N 324.287 -0.157 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C2CN(C(=O)[C@H](C)C#N)C2)CC1 967245858 VVAZRFUSYPRJTQ-NWDGAFQWSA-N 303.366 -0.339 30 20 DBED N#Cc1cc(C(=O)N2C[C@@H]3CC[C@H](C2)N3C(=O)C(N)=O)c[nH]1 969785387 KGSGJQBMHCMBQP-PHIMTYICSA-N 301.306 -0.813 30 20 DBED C#CCN[C@@H]1CCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1 969937321 PFDYTNVSTXSDHW-KFWWJZLASA-N 319.405 -0.020 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@]2(CN(Cc3cn(C)nn3)CCO2)C1 972297968 OSUTXTWSUCRLBZ-IUODEOHRSA-N 318.381 -0.222 30 20 DBED C=C(C)CN1C[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C(C)(C)C1 974597479 FHTONRLNHFPINH-NSHDSACASA-N 320.397 -0.220 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1[C@@H]2CN(C(=O)c3nc[nH]n3)C[C@@H]21 977216187 XODIFZWVRZJPQV-GCHJQGSQSA-N 317.349 -0.418 30 20 DBED CN(C)CCn1ccc(C(=O)NC[C@H]2[C@@H]3CN(CC#N)C[C@H]23)n1 978180870 OXSNSSZMELDBBF-ZSOGYDGISA-N 316.409 -0.124 30 20 DBED CC(=O)N1CCO[C@H](C(=O)NC[C@H]2[C@@H]3CN(CC#N)C[C@H]23)C1 979019785 ZIRBGQCFWLWOFF-FQUUOJAGSA-N 306.366 -0.949 30 20 DBED C[C@@H]1[C@@H](NC(=O)[C@@H]2CNC(=O)N2)CCN1C(=O)C#CC1CC1 989572036 RCCMQHDIEPJCEE-USWWRNFRSA-N 304.350 -0.813 30 20 DBED C=CCn1cc(C(=O)N2CC(NC(=O)[C@H]3C[C@H]3OCC)C2)nn1 990348712 ZXWDZXREDPMXOB-WCQYABFASA-N 319.365 -0.170 30 20 DBED O=C(N[C@@H]1CCN(C(=O)C#CC2CC2)C[C@H]1O)C1=COCCO1 991234578 UFVNSIGAQICWTI-CHWSQXEVSA-N 320.345 -0.634 30 20 DBED C=CCn1cc(C(=O)NC2CN(C(=O)c3nonc3C)C2)nn1 991690044 UTHIAOFIEMXCMM-UHFFFAOYSA-N 317.309 -0.590 30 20 DBED C#CCN1CCC[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)[C@H]1C 994216471 VPAAXJJZMJVJDH-GHMZBOCLSA-N 314.349 -0.367 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CCC(=O)N2)C1 997121100 ZPNVEZLBLYAJCE-AGIUHOORSA-N 321.377 -0.427 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC(NC(=O)[C@@H]3CC[C@@H]3C(N)=O)C2)c1 997406523 QMWTZUBMYJCTGD-WDEREUQCSA-N 315.333 -0.662 30 20 DBED C=CCN1CC[C@@H](N[C@@H]2CCCN(C(=O)c3cnn[nH]3)C2)C1=O 999587463 MNQDIWKBKDBGCL-VXGBXAGGSA-N 318.381 -0.214 30 20 DBED C#CCN[C@H]1CCCN(C(=O)CN2CCCCS2(=O)=O)C1 999724831 KEBGPCNWJYCNED-ZDUSSCGKSA-N 313.423 -0.374 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(NC(=O)[C@H]2C[C@H]2C(N)=O)C1 999939172 KFANYIAQPKIZNE-RNJOBUHISA-N 321.377 -0.584 30 20 DBED C[C@H](C#N)C(=O)N1CC(CNC(=O)[C@@H]2CCCCN2C(N)=O)C1 1004588748 BUHUVRZQQUKVOB-PWSUYJOCSA-N 321.381 -0.346 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@H](CNC(=O)c3ccc(O)nn3)[C@H]2C1 1008760234 OGJMJUVIHTZPIC-DBIOUOCHSA-N 315.333 -0.224 30 20 DBED COc1cc(C(=O)N2CCN(C(=O)[C@H](C)C#N)CC2)nn1C 1011749624 XHYRFCVIQCGVKF-SNVBAGLBSA-N 305.338 -0.127 30 20 DBED C=CCCN1CC[C@@H](NC(=O)CN2CCCS2(=O)=O)C1 1014643467 PEBPSPWMHMGPEC-GFCCVEGCSA-N 301.412 -0.212 30 20 DBED Cc1ncncc1C(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1023122650 XZEHQYXUXOHPCT-ZIAGYGMSSA-N 314.345 -0.500 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCOC3)C[C@H]2O)c[nH]1 1023455022 DIMDCRXIILZKPG-ZWKOPEQDSA-N 318.333 -0.776 30 20 DBED CCn1ncc(C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2O)n1 1023601353 GXVBHUJJVNAKFD-CHWSQXEVSA-N 317.349 -0.987 30 20 DBED C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2nnc(O)nc2O)C1 1025474878 PHWKHDXRTHSRIG-ZJUUUORDSA-N 305.338 -0.254 30 20 DBED CCN1CC[C@H](N2CC(NC(=O)c3cc(C#N)c[nH]3)C2)C1=O 1030196088 JVURGBCZTCKDKO-ZDUSSCGKSA-N 301.350 -0.079 30 20 DBED C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)CN1CCCS1(=O)=O 1032434118 AKESDNGONBBBEJ-STQMWFEESA-N 311.407 -0.670 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H]2CN([C@@H]3CCNC3=O)CCO2)c1 1035327045 SABBZMQUCRUGMP-WCQYABFASA-N 317.349 -0.795 30 20 DBED C=C(C)CN1CCO[C@H](CNC(=O)C2CC(=O)NC(=O)C2)C1 1035543114 VHOIXQJYXWCBRZ-GFCCVEGCSA-N 309.366 -0.568 30 20 DBED N#CCN1CC[C@H]2CN(C(=O)C3CC(=O)NC(=O)C3)CC[C@@H]21 1036842676 TWICUHXBOONHEX-JQWIXIFHSA-N 304.350 -0.514 30 20 DBED C#CCOCCC(=O)N1CC[C@](O)(CNC(=O)c2ncc[nH]2)C1 1039662094 LUWQERDDXYBHOD-HNNXBMFYSA-N 320.349 -0.857 30 20 DBED C=CCOCC(=O)N1CC[C@](O)(CNC(=O)c2n[nH]cc2C)C1 1039668846 CNDOJCVRVXMJHI-HNNXBMFYSA-N 322.365 -0.386 30 20 DBED C#CCCCC(=O)N1CC[C@@](O)(CNC(=O)c2ccncn2)C1 1040659325 AXQBWWGVTGMMJX-MRXNPFEDSA-N 316.361 -0.027 30 20 DBED Cc1nonc1CC(=O)N1CC[C@@](O)(CNC(=O)[C@@H](C)C#N)C1 1040759139 FGLDXCDCNRVPPP-LKFCYVNXSA-N 321.337 -0.840 30 20 DBED C=CCCO[C@H](C)C(=O)NCC1(O)CN(C(=O)COCC)C1 1041874646 URDICPNDOHCTOW-GFCCVEGCSA-N 314.382 -0.306 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)C[C@@H](C)OC)C1 1041948641 SCBIFIAMXSMLLD-NEPJUHHUSA-N 314.382 -0.308 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@@H]2C(=O)OC)C1 1041952332 PYKGVUZYKCDYNN-MNOVXSKESA-N 310.350 -0.549 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)C[C@H](C)COC)C1 1042047440 QRHIAAUXIJPYRN-LBPRGKRZSA-N 314.382 -0.449 30 20 DBED C#CCCN1CC[C@@H]2CCN(C(=O)c3nnc(O)nc3O)C[C@H]21 1042135463 WAMQQSBWCNYWEV-GHMZBOCLSA-N 317.349 -0.158 30 20 DBED Cn1cnn(CCC(=O)N2CC[C@H]3CCN(CC#N)[C@@H]3C2)c1=O 1042163609 WWDUCPDGDOXLIX-CHWSQXEVSA-N 318.381 -0.582 30 20 DBED C=C(C)CCC(=O)N1CC(O)(CNC(=O)[C@@H]2COC(=O)N2)C1 1042861338 FZHHINQDNCHYBG-JTQLQIEISA-N 311.338 -0.859 30 20 DBED C=C(C)CN1CC(N(C)C(=O)C2CC3(C2)NC(=O)NC3=O)C1 1044039790 SJLOQDBJIYSEMA-UHFFFAOYSA-N 306.366 -0.307 30 20 DBED Cc1cnoc1C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1044156143 HYTRRQUHQDGEFP-ZJUUUORDSA-N 314.305 -0.376 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)C2(C)CCC2)C1 1044537129 WSWLGSUAFHYQQK-GFCCVEGCSA-N 308.378 -0.096 30 20 DBED C=C[C@H](C)[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2cnnn2C)C1 1044979990 JFXFEWBBAGKIHM-WDEREUQCSA-N 321.381 -0.424 30 20 DBED C=CCCCC(=O)NCC1(O)CN(C(=O)CC(=O)N(C)C)C1 1045458361 BGSRKQFSRSMMQU-UHFFFAOYSA-N 311.382 -0.490 30 20 DBED CC(C)N1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)[C@@H](C)C#N)C1 1045553008 ZDGLYEYZJUOIFK-QWHCGFSZSA-N 322.409 -0.292 30 20 DBED CN1CCOC[C@@H]1C(=O)N1CCN([C@@H]2CCN(CC#N)C2)CC1 1046019319 BYUGTKSECYMIHJ-HUUCEWRRSA-N 321.425 -0.941 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@]1(C)CCN(Cc2nnn(C)n2)C1 1046632211 VGGPPVGUGUBIFF-TYNCELHUSA-N 320.397 -0.118 30 20 DBED C=C(C)CN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCS(=O)(=O)C2)C1 1047450503 ZAWKLXXWTVFHRT-AGIUHOORSA-N 316.423 -0.499 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cc(=O)c(OC)co2)C1 1047458549 SIAMXVGCROYXNT-JQWIXIFHSA-N 308.334 -0.049 30 20 DBED C#CCOCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C(F)F)C1 1047973765 NVZHQDISWPJNIH-UWVGGRQHSA-N 304.293 -0.679 30 20 DBED C#CCN1C[C@H]2CN(C(=O)c3cnn4c(=O)cc[nH]c34)C[C@H]2C1 1049103786 VTDSICLDFFXXJV-TXEJJXNPSA-N 311.345 -0.340 30 20 DBED C=CCOCC(=O)N1CC[C@H]([C@@H](C)NC(=O)c2nc[nH]n2)C1 1050297905 QASMVRWUZRQRFG-MNOVXSKESA-N 307.354 -0.026 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)CN1CC(=O)N(C)C1=O)C2 1050731234 ZKJUZWYHBAUNBM-UHFFFAOYSA-N 318.377 -0.562 30 20 DBED C=CCN1CCOC[C@H]1CNC(=O)[C@H]1CCCN(C(N)=O)C1 1051017561 SGMFQRWCJBVUGE-QWHCGFSZSA-N 310.398 -0.220 30 20 DBED CC#CCN1CCOC[C@H]1CNC(=O)[C@@H]1CCc2nncn2C1 1051256485 WMKHWGOZHAAXGJ-ZIAGYGMSSA-N 317.393 -0.319 30 20 DBED C=CCOCC(=O)N[C@@H](C)[C@@H]1CCN(C(=O)c2nnn(C)n2)C1 1051342398 RKURDXMVWODOOJ-WDEREUQCSA-N 322.369 -0.621 30 20 DBED CN(C[C@@H]1CCCCN1C(=O)C(N)=O)c1cnc(C#N)cn1 1051345694 WOFHRCAAHJQTHV-NSHDSACASA-N 302.338 -0.349 30 20 DBED N#Cc1c[nH]ccc1=NC1CC(CNC(=O)[C@H]2COC(=O)N2)C1 1051926763 XTFNCARVKAZAQC-QEIKUCIBSA-N 315.333 -0.210 30 20 DBED CNC(=O)CN1CCN([C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)CC1 1051998022 MRFQJVUBFOWBLZ-QWHCGFSZSA-N 307.398 -0.889 30 20 DBED C#CCN1CCN([C@H]2CCN(C(=O)[C@H]3CCC(=O)N3C)C2)CC1 1052068261 CVWCGPOHPAPUNB-LSDHHAIUSA-N 318.421 -0.541 30 20 DBED N#Cc1ccc(NC2CC(CNC(=O)[C@H]3CNC(=O)N3)C2)nc1 1052072655 OBRSJPWJVIZTFT-HTAVTVPLSA-N 314.349 -0.059 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)[C@H]1CCC(=O)N1C)CCO2 1053391523 ORAMTVDEQDLAKP-CYBMUJFWSA-N 305.378 -0.456 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)c1ccc(C(N)=O)[nH]1)CCO2 1053431961 QQVUBHHIOOJIHX-UHFFFAOYSA-N 316.361 -0.336 30 20 DBED C#CCN1CC2(C1)CN(C(=O)[C@H]1CCC[C@@H](C(N)=O)C1)CCO2 1053452962 KEBAXQFJIQYOPS-KGLIPLIRSA-N 319.405 -0.176 30 20 DBED C=CCN1CC2(C1)CN(C(=O)CCn1cnccc1=O)CCO2 1053487963 ZHFDHULODZQWFQ-UHFFFAOYSA-N 318.377 -0.267 30 20 DBED C#CCCN1CC2(CC[C@H](CNC(=O)[C@H]3COCCN3C)O2)C1 1053591677 AQDSBFMVZDHKEU-HUUCEWRRSA-N 321.421 -0.310 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)[C@H]3CCCC(=O)N3)CO2)C1 1053842550 OYDTUQPNKVTZHX-QWHCGFSZSA-N 305.378 -0.362 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)[C@]3(C)CCC(=O)NC3)CO2)C1 1053902043 TXCYAQQYWGAGRZ-SWLSCSKDSA-N 305.378 -0.505 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@](CO)(NC(=O)c2cnco2)C1 1056023150 KOEMUGXUTORXQC-IINYFYTJSA-N 306.322 -0.082 30 20 DBED N#Cc1cncc(N2C[C@H]3[C@H](NC(=O)[C@H]4CCNC4=O)[C@H]3C2)n1 1056355231 GXJWNJROFXRJJK-MEWQQHAOSA-N 312.333 -0.965 30 20 DBED N#Cc1cncc(N2C[C@H]3[C@H](NC(=O)[C@@H]4[C@H]5COC[C@H]54)[C@H]3C2)n1 1056365967 QTRFAQKOANUGOS-GQHARHJQSA-N 311.345 -0.209 30 20 DBED N#Cc1cncc(N[C@@H]2CCN(C(=O)[C@H]3CNC(=O)N3)C2)n1 1056764252 NMXMWLOTIWKCHA-PSASIEDQSA-N 301.310 -0.958 30 20 DBED CN(c1ccnc(C#N)n1)[C@@H]1CCN(C(=O)c2cn(C)nn2)C1 1056917152 QXEDVXWPXDYTGF-SNVBAGLBSA-N 312.337 -0.172 30 20 DBED C=C[C@@](C)(O)CC(=O)N(CCO)CCNC(=O)CCN(C)C 1057451418 KTCAKBJEXKBYSX-OAHLLOKOSA-N 315.414 -0.798 30 20 DBED N#Cc1nccc(N2CC[C@H](NC(=O)c3ccc(O)nn3)C2)n1 1058288928 QHKGFRMEYDAXKH-VIFPVBQESA-N 311.305 -0.147 30 20 DBED Cc1ccc(C#N)c(N2CC[C@H](NC(=O)c3nnn(C)n3)C2)n1 1058516586 OWVINNQLZGVXNL-NSHDSACASA-N 312.337 -0.206 30 20 DBED CC(=O)N1CC(C(=O)N2CC[C@H](N=c3cc[nH]c(C#N)n3)C2)C1 1058855840 NJODOGUMNGQZOP-LBPRGKRZSA-N 314.349 -0.739 30 20 DBED Cc1cncn1CC(=O)N1CC[C@H](N=c2cc[nH]c(C#N)n2)C1 1059009290 HIYDACWLWVXQBK-LBPRGKRZSA-N 311.349 -0.012 30 20 DBED N#Cc1cncc(N[C@H]2C[C@H](NC(=O)[C@H]3CC[C@H]3C(N)=O)C2)n1 1059369943 HELBCGXGKXKYPP-IQIPOGNMSA-N 314.349 -0.081 30 20 DBED C#CCOCCC(=O)NCC[C@H]1CCN(C(=O)CC(=O)NC)C1 1059525768 DJTKTZAQUDBPJV-ZDUSSCGKSA-N 323.393 -0.483 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)CCCCC(N)=O 1061902417 NPGCWWDSMYVEQH-VXGBXAGGSA-N 324.381 -0.465 30 20 DBED Cn1cnc(C(=O)N2C[C@@H]3CC[C@H](C2)N3c2cncc(C#N)n2)n1 1061958449 CDKNBXUUNBKOHY-TXEJJXNPSA-N 324.348 -0.030 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)c2nccnc2N)CCC1 1062727848 XBVONJPRSDPPNN-SECBINFHSA-N 302.338 -0.013 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)C2=COCCO2)CCO1 1064801395 QOVOESAAQNBABV-ZDUSSCGKSA-N 322.361 -0.122 30 20 DBED CCOCC(=O)N1CCO[C@@H](CNC(=O)c2ccc(C#N)[nH]2)C1 1064808697 RLTBTSGAHWASIY-LBPRGKRZSA-N 320.349 -0.120 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H]1CCCN1C(=O)[C@H]1C[C@H]1C(N)=O 1065012845 ZMORNHVNGQAHEZ-XQQFMLRXSA-N 313.361 -0.101 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CN(C(=O)c2csc(O)n2)CCO1 1065487157 HBQIGLHGWUWFQQ-IUCAKERBSA-N 324.362 -0.034 30 20 DBED Cn1nnc(C(=O)N2CCC[C@H](NC(=O)C#CC3CC3)CC2)n1 1066155524 IGLAKJLLTMATEM-LBPRGKRZSA-N 316.365 -0.266 30 20 DBED N#Cc1cnc(NC[C@@H]2CN(C(=O)C(N)=O)CCO2)c(F)c1 1066669923 ZVDJRWHRCHCIAH-SECBINFHSA-N 307.285 -0.783 30 20 DBED C[C@H]1CN(C(=O)c2cn(C)nn2)C[C@@H]1N=c1cc[nH]c(C#N)n1 1067078045 RPFOSWYOOXZNRN-UWVGGRQHSA-N 312.337 -0.529 30 20 DBED N#Cc1cnccc1N1C[C@H](O)[C@H](CNC(=O)c2cnccn2)C1 1067645750 QZUZULGZRLMMSJ-DOMZBBRYSA-N 324.344 -0.030 30 20 DBED N#Cc1cnc(NCC2CC(NC(=O)[C@H]3C[C@H]3C(N)=O)C2)cn1 1067886626 VHMMTDLSSLYMLU-FZOPHOIVSA-N 314.349 -0.224 30 20 DBED Cc1nn[nH]c1C(=O)NCC1[C@H]2CN(c3cnc(C#N)cn3)C[C@H]12 1068191674 BJDBJFDOPGMJQC-VXGBXAGGSA-N 324.348 -0.113 30 20 DBED C#CCCCC(=O)N1CC2(C1)CN(C(=O)c1cnn[nH]1)CCO2 1068411802 YOPPSEFNSNIMPJ-UHFFFAOYSA-N 317.349 -0.338 30 20 DBED C#CCOCCC(=O)N1CC2(C1)CN(C(=O)[C@H](C)C#N)CCO2 1068451110 GYLNLMFIAKLMDN-CYBMUJFWSA-N 319.361 -0.374 30 20 DBED C=CC(C)(C)CC(=O)NC[C@H]1CCC2(CN(C(=O)C(N)=O)C2)O1 1068578847 BBEXPQKPJWKPEY-LLVKDONJSA-N 323.393 -0.050 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)Cc2cc(C)on2)C1 1069903869 UWVZNXAMBGWPBV-KGLIPLIRSA-N 314.349 -0.208 30 20 DBED COCC(=O)NC1(CNC(=O)c2c[nH]c(C#N)c2)CCOCC1 1069944095 WVMMTVTZMGSFKH-UHFFFAOYSA-N 320.349 -0.072 30 20 DBED N#CCN[C@@H]1CN(C(=O)c2cnsn2)C[C@@H]1n1ccnn1 1070147976 GVQVPVCHKAQRLI-ZJUUUORDSA-N 304.339 -0.692 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)[C@@H]4CCC(=O)N4C)C[C@@]3(C1)O2 1070836195 QDBHAZDMAGGUEB-QDEZUTFSSA-N 317.389 -0.458 30 20 DBED C#CCCN1CCNC(=O)CCN(C(=O)c2ccn(C)n2)CC1 1071020445 CRWQXQHIFDDWLV-UHFFFAOYSA-N 317.393 -0.293 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(C(=O)CNC(=O)CC)C[C@H]1C 1071822480 GUIFDIWUXGBXKU-CHWSQXEVSA-N 323.393 -0.484 30 20 DBED CC#CCN1C[C@H](NC(=O)c2cn(CC(N)=O)nn2)CC[C@H]1C 1072099410 QJCCIQUSABGOSQ-VXGBXAGGSA-N 318.381 -0.631 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H]1CN(CCOC)CCCO1 1073640012 QCALDBNTTDCXRA-HOTGVXAUSA-N 323.437 -0.063 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)CN3CCCC3=O)C[C@@H]21 1074159695 JDTUHZBMJAEWEL-UONOGXRCSA-N 305.378 -0.456 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CCN(C(=O)[C@H](C)C#N)CC1 1074706382 KHUFXSNDRAUDDO-OLZOCXBDSA-N 321.377 -0.346 30 20 DBED C[C@@H](CCNC(=O)C#CC1CC1)NC(=O)c1cc(=O)n(C)cn1 1076432681 ZOQSCRZVUWZDGY-NSHDSACASA-N 316.361 -0.182 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)Cn2cccc(C)c2=O)C1 1076990363 YPMBJVWCIBBQDY-ZIAGYGMSSA-N 303.362 -0.659 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2cc(N3CCCC3)ncn2)C1 1077678335 XCRFEXHGGTVHMY-ZIAGYGMSSA-N 315.377 -0.515 30 20 DBED C[C@@H](CCNC(=O)[C@@H]1CNC(=O)N1)NC(=O)C#CC(C)(C)C 1078091157 OHLDZVBEOOFRCG-QWRGUYRKSA-N 308.382 -0.272 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3cnnn3)cc2)C1 1078135631 JGAFZIFSBRTTTB-ZIAGYGMSSA-N 314.349 -0.377 30 20 DBED C=CCCC(=O)N[C@@H](C)CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 1078456510 ZTPYNLYYLNUCME-SDDRHHMPSA-N 311.382 -0.004 30 20 DBED CC(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CCN(CC#N)CC1 1079163377 BEBOTXCODZXKQD-UONOGXRCSA-N 305.382 -0.011 30 20 DBED CCN(C(=O)C#CC1CC1)C1CN(C(=O)[C@H](C)NC(N)=O)C1 1079736643 DEAFVKJOTUKOQX-JTQLQIEISA-N 306.366 -0.484 30 20 DBED C#CCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)[C@H]2COC(=O)N2)C1 1079775049 RKQRZLKUIFGPNA-CMPLNLGQSA-N 323.349 -0.808 30 20 DBED CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)[C@@H]2CCCN2C(N)=O)C1 1080420447 USAWIGFXANANDT-JQWIXIFHSA-N 321.381 -0.252 30 20 DBED C#CCCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=COCCO2)C1 1081218086 PHRAGMCALXXGSH-QWHCGFSZSA-N 322.361 -0.386 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)c2cnn(C)c2N)C[C@@H]1O 1081336244 WCRFXMXILXAWLY-JQWIXIFHSA-N 321.381 -0.482 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)COCC)C[C@@H]1O 1081343940 JVEDHOYWNNVDMA-NEPJUHHUSA-N 300.355 -0.839 30 20 DBED CCC(=O)NCC(=O)NC[C@@H]1CN(C(=O)C#CC(C)C)C[C@@H]1O 1081349902 VTUSYZVAEYNZMM-OLZOCXBDSA-N 323.393 -0.893 30 20 DBED C=CCCC(=O)N1C[C@H](CNC(=O)C2(NC(N)=O)CC2)[C@@H](O)C1 1081418809 DAFAYTDHIVKRBQ-QWRGUYRKSA-N 324.381 -0.911 30 20 DBED C#CCCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)Cn2ccnc2)C1 1081581140 XUZISNFXACSFAT-ZIAGYGMSSA-N 318.377 -0.378 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CCCCN1C(=O)CNC(N)=O 1081869125 SDFURFXFWKHGJJ-LBPRGKRZSA-N 308.382 -0.189 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CCc2nncn2C1 1083283406 YYTNPEXADLTTFH-MELADBBJSA-N 315.377 -0.615 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2cnn3c(OC)cccc23)C1 1083501968 NXJIDIBFYAPYCF-OCCSQVGLSA-N 314.345 -0.249 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)c2cn(-c3cccnc3)nn2)C1 1083510263 WIRJFZIZBJLLJR-OCCSQVGLSA-N 314.349 -0.377 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2CN(C[C@@H](C)OC)C[C@@H]2O)c1 1083765250 VIRFSUULCOTDRN-DFBGVHRSSA-N 303.362 -0.127 30 20 DBED C[C@H](C(=O)N1C[C@H]2CCN(CC#N)C[C@H]21)N1C(=O)CCC1=O 1084387286 BGWYXOFZUAAUFL-IJLUTSLNSA-N 304.350 -0.420 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2nccnc2C(N)=O)[C@H]1C 1089028054 YZDPJEOOOWFSBD-MNOVXSKESA-N 301.350 -0.209 30 20 DBED C#CCN1CC[C@@H](NC(=O)Cn2c(O)nnc2O)CC(C)(C)C1 1089546751 VBQOWFMPIYMCCX-LLVKDONJSA-N 321.381 -0.071 30 20 DBED COC[C@@H](C)C(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1O 1090388247 VUVXDTCNNQJCAJ-LERXQTSPSA-N 304.350 -0.099 30 20 DBED C=C(Cl)CN1CC[C@H](NC(=O)c2nnn(C)n2)[C@@H](O)C1 1090495424 HFAYMDPOWQORDO-IUCAKERBSA-N 300.750 -0.872 30 20 DBED C#CCN1CC[C@H](NC(=O)c2ccc(N(C)C)nn2)[C@@H](O)C1 1090734373 LMOPCGBLFZXZFJ-AAEUAGOBSA-N 303.366 -0.659 30 20 DBED CCCn1nc(C(=O)N[C@H]2CCN(CC#N)C[C@H]2O)ccc1=O 1090797120 UIDWGVHDKQSASS-WCQYABFASA-N 319.365 -0.658 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1CNC(=O)c1cc(C(N)=O)cn1C 1092783537 FWHYJLYUNBGGHD-ZYHUDNBSSA-N 303.366 -0.055 30 20 DBED N#Cc1ccc(N2C[C@H]3C(NC(=O)CCn4cnnn4)[C@@H]3C2)nc1 1093294450 VVDLQGRKWWNPIK-VXGBXAGGSA-N 324.348 -0.419 30 20 DBED CCN1CCOC[C@H]1C(=O)NCCNc1cnc(C#N)cn1 1093978026 UFFIHZOPPADARU-LBPRGKRZSA-N 304.354 -0.403 30 20 DBED CN1CCO[C@@H](C(=O)NCCCNc2cnc(C#N)cn2)C1 1094349259 OBWAQMOPKTZRKU-GFCCVEGCSA-N 304.354 -0.403 30 20 DBED N#Cc1nc(=NCCCNC(=O)c2ccc(C(N)=O)[nH]2)cc[nH]1 1094789617 BZWFNZLASYHORL-UHFFFAOYSA-N 313.321 -0.571 30 20 DBED N#Cc1cncc(N[C@@H](CNC(=O)CNC(N)=O)C2CC2)n1 1096565974 QOKOOWGWTAAAPY-JTQLQIEISA-N 303.326 -0.677 30 20 DBED CNC(=O)CC(=O)NC[C@@H](N=c1cc[nH]cc1C#N)C1CC1 1096652232 VSSVSTIMJVOYFM-CYBMUJFWSA-N 301.350 -0.182 30 20 DBED CNC(=O)NCC(=O)NC[C@H](Nc1cncc(C#N)n1)C1CC1 1096836824 LAFPKBQZYORDBC-NSHDSACASA-N 317.353 -0.416 30 20 DBED CS(=O)(=O)CCC(=O)N[C@H]1C[C@H](Nc2cncc(C#N)n2)C1 1097112974 BHUVRJSLLQHKIR-MGCOHNPYSA-N 323.378 -0.158 30 20 DBED N#Cc1ccc(N2CCC[C@@H](CNC(=O)CNC(N)=O)C2)nn1 1097286650 OKRDOBRWCFNNKC-JTQLQIEISA-N 317.353 -0.651 30 20 DBED C=CCOCC(=O)NC[C@@H](C)Nc1ncnc2c1nnn2C 1097719676 RXEOEMVNOKJFAW-SECBINFHSA-N 305.342 -0.123 30 20 DBED N#Cc1ccc(N[C@H]2CCC[C@@H](NC(=O)CNC(N)=O)C2)nn1 1098590997 XPBDTOYSLQRYMP-VHSXEESVSA-N 317.353 -0.144 30 20 DBED Cc1ccc(C(=O)N[C@H]2CCN(CC(=O)NCC#N)C[C@@H]2O)o1 1099641608 FGNOEDCPZCYWTM-RYUDHWBXSA-N 320.349 -0.607 30 20 DBED CC#CCN1CC[C@H](NC(=O)COCc2ccnn2C)[C@@H](O)C1 1099890141 NIZBEHPTOLBCDR-GJZGRUSLSA-N 320.393 -0.489 30 20 DBED C=CCC(C)(C)C(=O)N[C@H]1CCN(CC(=O)NCC#N)C[C@H]1O 1100021137 YPCQVSJVAQJTQU-QWHCGFSZSA-N 322.409 -0.220 30 20 DBED CC#CCN1CC[C@H](NC(=O)CNC(=O)C2CCC2)[C@@H](O)C1 1100123673 ANNMVUIQVGUBOQ-KBPBESRZSA-N 307.394 -0.523 30 20 DBED C=CCN1CC[C@H](NC(=O)C(C)(C)CS(C)(=O)=O)[C@H](O)C1 1100137372 YNOHLDXQKXPZGG-NWDGAFQWSA-N 318.439 -0.205 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CC(CNC(=O)CC(=O)NCC)C1 1100264733 AUDCDICRQSZOOO-PNESKVBLSA-N 322.409 -0.865 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H]1CCN(c2ncccn2)C1 1100973467 FVUWPFVNSOCIKC-LBPRGKRZSA-N 301.350 -0.441 30 20 DBED CCN1CCO[C@@H](C(=O)N(C)CCNc2nccnc2C#N)C1 1101638681 ZBNDYFZAHUPKBT-CYBMUJFWSA-N 318.381 -0.061 30 20 DBED CN(CCNc1nccnc1C#N)C(=O)CN1CCOCC1=O 1102011974 BDSPRUSMCXBJSP-UHFFFAOYSA-N 318.337 -0.923 30 20 DBED CC#CCN1C[C@@H](C)[C@H](CNC(=O)CCn2ncn(C)c2=O)C1 1102185692 PHOSEMOWWJRVBZ-ZIAGYGMSSA-N 319.409 -0.321 30 20 DBED CC[C@@H](CNC(=O)Cn1cnnn1)Nc1ncccc1C#N 1102968686 JYTSLAZHMBCMBB-NSHDSACASA-N 300.326 -0.053 30 20 DBED Cc1cc(C#N)nc(NC[C@H](C)CNC(=O)[C@H]2CNC(=O)N2)n1 1104183424 HOIIQEKMXZQDMP-LDYMZIIASA-N 317.353 -0.498 30 20 DBED C[C@H](CNC(=O)[C@@H]1CNC(=O)N1)CNc1cncc(C#N)n1 1104184380 XQDADLWHYSKRRU-WPRPVWTQSA-N 303.326 -0.806 30 20 DBED CC(=O)NC(C)(C)C(=O)N(C)[C@@H](C)CN=c1cc[nH]c(C#N)n1 1104618854 JSFKAUXHBPTZQC-JTQLQIEISA-N 318.381 -0.056 30 20 DBED C[C@@H]1CN(C(=O)CNC(N)=O)CC[C@H]1Nc1cncc(C#N)n1 1105029920 KJPUNGUUYGKAKM-MWLCHTKSSA-N 317.353 -0.335 30 20 DBED CN(CCN(C)c1cncc(C#N)n1)C(=O)[C@H]1CCNC1=O 1105535042 IHPSFPRVXWAJIW-NSHDSACASA-N 302.338 -0.621 30 20 DBED N#Cc1nccnc1NC[C@H]1CCC[C@H]1NC(=O)CC(N)=O 1105652258 QNAYZMRBZWHWFH-NXEZZACHSA-N 302.338 -0.080 30 20 DBED C#Cc1ccc(C(=O)NC[C@H](O)CNc2cnc(C#N)cn2)nc1 1105908441 PSFSPMCMTYSMHV-CYBMUJFWSA-N 322.328 -0.073 30 20 DBED CCN(CCNc1nccnc1C#N)C(=O)CCn1cnnn1 1106818042 RKPJCYBLVRZHRN-UHFFFAOYSA-N 315.341 -0.315 30 20 DBED C=CCOCC(=O)NC[C@]1(C)CN(Cc2ncnn2C)CCO1 1107811949 VRGYOFRLGZGPIN-OAHLLOKOSA-N 323.397 -0.275 30 20 DBED CC(C)NC(=O)CN1CCO[C@](C)(CNC(=O)[C@H](C)C#N)C1 1107820944 GJKADSQHVAWZQR-IUODEOHRSA-N 310.398 -0.122 30 20 DBED C[C@@H](CN1CCOCC1)C(=O)NC[C@]1(C)CN(CC#N)CCO1 1108400825 KQYMQIOQPFGSHT-GOEBONIOSA-N 324.425 -0.315 30 20 DBED CC#CCN1CCN(C(=O)C#CC(C)C)[C@@H]2CS(=O)(=O)C[C@@H]21 1108474656 WHIPGNCIPUWUHH-LSDHHAIUSA-N 322.430 -0.021 30 20 DBED COCCN1CC(N2C[C@H](NC(=O)C#CC(C)C)CC2=O)C1 1108542904 PYYHMVDMJIZTJB-CYBMUJFWSA-N 307.394 -0.307 30 20 DBED C[C@@H](CNc1nccnc1C#N)NC(=O)[C@@H]1CN(C)C(=O)N1 1108635652 OSKVYPZDUVRTBP-WPRPVWTQSA-N 303.326 -0.712 30 20 DBED C[C@@H](CNc1cncc(C#N)n1)NC(=O)[C@H]1CN(C)C[C@@H](C)O1 1108769336 ZCGPREHIVGGWSA-DMDPSCGWSA-N 318.381 -0.016 30 20 DBED N#Cc1ccc(NC[C@H](NC(=O)[C@H]2CCNC2=O)C2CC2)nn1 1109946655 XQFBAUCBQMLQGA-RYUDHWBXSA-N 314.349 -0.209 30 20 DBED N#Cc1nccnc1NC1(CNC(=O)[C@H]2CCC(=O)N2)CC1 1110081837 DYCYTXXXCWBEBZ-SECBINFHSA-N 300.322 -0.312 30 20 DBED N#Cc1nccc(NC2(CNC(=O)[C@@H]3COC(=O)N3)CC2)n1 1110121978 UJINBSLFTWFVJP-QMMMGPOBSA-N 302.294 -0.483 30 20 DBED N#Cc1cncc(NC[C@H](NC(=O)C(N)=O)C2CCCC2)n1 1110679471 RHRQAXUUMZJGRM-NSHDSACASA-N 302.338 -0.080 30 20 DBED C[C@@]1(NC(=O)Cn2ncnn2)CCN(c2ccnc(C#N)n2)C1 1110786422 UGAKHDJFXRHSAE-CYBMUJFWSA-N 313.325 -0.880 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cnco1 1110870922 KGGWSBFZNXKFGX-UTUOFQBUSA-N 302.334 -0.241 30 20 DBED C#CCNC[C@]12CCC[C@H]1CN(C(=O)[C@H]1CN(C)C(=O)N1)C2 1112507647 TWMLBWIXYBPXNV-ZENOOKHLSA-N 304.394 -0.139 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCN(CCS(C)(=O)=O)CC1 1112801024 BTLFVIPUIKMGJC-CYBMUJFWSA-N 304.412 -0.498 30 20 DBED C=CCOCCN1CCN(C(=O)CN2CCN(C)C(=O)C2)CC1 1113046758 JGXXFBKPCQEVNA-UHFFFAOYSA-N 324.425 -0.893 30 20 DBED C[C@H](NC(=O)Cn1nccn1)[C@@H](C)Nc1nccnc1C#N 1113173990 WYJXZZXUENCTFE-VHSXEESVSA-N 300.326 -0.055 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)[C@@H](COC)OC)CC1 1113320694 KOTDDADRPAJDLV-QWHCGFSZSA-N 313.398 -0.517 30 20 DBED Cc1ccc(C(=O)N2CCN(CC(=O)NCC#N)CC2)c(O)n1 1113381844 BJTMIOYKWVFJMF-UHFFFAOYSA-N 317.349 -0.507 30 20 DBED C=CCCC(=O)N[C@H]1[C@@H]2CN(CC(=O)N3CCOCC3)C[C@@H]21 1114004252 GRHSORHSKANOOF-VIKVFOODSA-N 307.394 -0.142 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)c3coc(C)n3)[C@H]2C1 1114174376 RWDJPLREPDYLIA-DLOVCJGASA-N 316.361 -0.219 30 20 DBED C=CCOCCN1C[C@H]2C(NC(=O)Cc3n[nH]c(C)n3)[C@@H]2C1 1114245874 NUIPIAPSQDKIMY-VXGBXAGGSA-N 305.382 -0.095 30 20 DBED C#CCOCCC(=O)NC1[C@@H]2CN(Cc3cnnn3C)C[C@@H]12 1114265079 AERDLQNYUPXOHS-CHWSQXEVSA-N 303.366 -0.599 30 20 DBED C#CCO[C@H](C)C(=O)NC1[C@@H]2CN(CCOCCOC)C[C@@H]12 1114270679 JEGHRBPXYGJPJV-MGPQQGTHSA-N 310.394 -0.266 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)Cc3cncs3)[C@H]2C1 1114432833 FDQAFLLJNSRSQK-JYAVWHMHSA-N 318.402 -0.519 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)c3csnn3)[C@H]2C1 1114639621 ZKRGXEMZLXFLLO-UXCLJVHYSA-N 321.406 -0.111 30 20 DBED CC#CCN1C[C@H]2[C@H](NC(=O)CCNC(=O)[C@@H]3CCCO3)[C@H]2C1 1115350918 WWGRNALUOVMGCB-KNCOVGOOSA-N 319.405 -0.259 30 20 DBED CC(C)N(CCNC(=O)C(=O)N1CCO[C@H](C#N)C1)C(C)C 1116980987 HQHSFFISQQMDTH-CYBMUJFWSA-N 310.398 -0.028 30 20 DBED CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCO[C@H](C#N)C1 1117616645 ORTUXQYGRFLOCV-CHWSQXEVSA-N 322.409 -0.026 30 20 DBED C#CCNC(=O)C1CCN(c2nnnn2[C@H]2CCOC2)CC1 1120155694 GKTWOKQHHWFCND-LBPRGKRZSA-N 304.354 -0.400 30 20 DBED N#Cc1cccnc1N[C@@H](CO)CNC(=O)c1ccc(O)nn1 1121177121 GDBPCTHJVCONLR-SNVBAGLBSA-N 314.305 -0.348 30 20 DBED CN1CCOC[C@H]1C(=O)NC[C@@H](CO)Nc1ccc(C#N)cn1 1121347180 XDLOYHAMTFELMP-STQMWFEESA-N 319.365 -0.827 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)CCc2nc[nH]n2)cn1 1121412603 PUZLAQMJQZCWOU-GFCCVEGCSA-N 315.337 -0.407 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)[C@@H]2CCCCO2)nn1 1121453742 DIQFELCIQXCPFV-RYUDHWBXSA-N 305.338 -0.194 30 20 DBED CC(=O)NC(C)(C)C(=O)NC[C@H](CO)N=c1cc[nH]cc1C#N 1121777766 MIRUAZXQMLEYQQ-GFCCVEGCSA-N 319.365 -0.821 30 20 DBED N#Cc1cncc(N[C@@H](CO)CNC(=O)COCC(F)F)n1 1122256713 XFZQSSSQDOEODP-SECBINFHSA-N 315.280 -0.481 30 20 DBED CN(C)CCCC(=O)NC[C@H](CO)Nc1cnc(C#N)cn1 1122417633 XUVQFFXBQOLDQS-GFCCVEGCSA-N 306.370 -0.421 30 20 DBED CC(=O)NCC(=O)N1C[C@@H](Nc2nccnc2C#N)C[C@@H]1C 1123120615 GYDBHGSKQHSMGI-ONGXEEELSA-N 302.338 -0.114 30 20 DBED COCCN(CCNC(=O)CC(N)=O)c1nc(C)cc(C#N)n1 1126254381 HBORFTRSUAKYDF-UHFFFAOYSA-N 320.353 -0.899 30 20 DBED CC#CCN1CCn2ncc(CNC(=O)CNC(N)=O)c2C1 1128186586 HDWRXBABUVVWSU-UHFFFAOYSA-N 304.354 -0.994 30 20 DBED COCC#CCNCCNC(=O)c1cn2c(n1)C[C@H](OC)CC2 1130162745 HHXUECLWCWYWTP-CYBMUJFWSA-N 320.393 -0.187 30 20 DBED CC(C)C#CC(=O)NCc1c[nH]nc1[C@H]1CCN(CC(N)=O)C1 1130386347 HKDPXJYSKYBMBC-LBPRGKRZSA-N 317.393 -0.040 30 20 DBED C#CCN1CCOC[C@@H]1c1n[nH]c(CNC(=O)CSC)n1 1130823769 WHZPBXJQXRCMRU-SNVBAGLBSA-N 309.395 -0.210 30 20 DBED CC#CCN1CCNC(=O)CCN(C(=O)[C@H](C)CC(N)=O)CC1 1131373889 CYZVXKJFWQWGAH-CYBMUJFWSA-N 322.409 -0.828 30 20 DBED C#CCNC[C@H]1CN(C(=O)CN2CCNC(=O)C2)CC[C@H]1C 1133031688 RPUOOCZKAFQBTA-KGLIPLIRSA-N 306.410 -0.874 30 20 DBED C#CCNC[C@H]1CN(C(=O)CN2C(=O)CCC2=O)CC[C@H]1C 1133300981 BPLGFWYCKUWJAC-OLZOCXBDSA-N 305.378 -0.157 30 20 DBED C=CCCN1CCC2(C1)CN(C(=O)CNS(=O)(=O)NC)C2 1147971891 BPGHGSPHXUKTMT-UHFFFAOYSA-N 316.427 -0.849 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)c1cn(CC)cn1 1148033037 FICPKNBUVUAVBL-UHFFFAOYSA-N 320.397 -0.015 30 20 DBED C#CCCN1CCC2(C1)CN(C(=O)CS(=O)(=O)N(C)C)C2 1148690197 CRXHGLQWVUSIAZ-UHFFFAOYSA-N 313.423 -0.565 30 20 DBED COCC#CCNCCNC(=O)CNC(=O)c1ccccc1 1148716172 RMZNDHZMOWFXPY-UHFFFAOYSA-N 303.362 -0.228 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1c(Cl)nn(C)c1C 1149306212 VVFPTXXKBQUUOY-UHFFFAOYSA-N 311.773 -0.549 30 20 DBED C=CCOCC(=O)NCCCNCC(=O)NCCOCC 1155724791 FMVJEMFQGLHOFY-UHFFFAOYSA-N 301.387 -0.562 30 20 DBED N#Cc1cc(C(=O)NCCCNCC(=O)N2CCOCC2)c[nH]1 1156841946 XHQXPYQRWYZZOP-UHFFFAOYSA-N 319.365 -0.545 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCCNCC(=O)N1CCCC1 1160197639 BNCWFWZNWRRKMV-HNNXBMFYSA-N 320.437 -0.198 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)c2cncnc2O)C1=O 1160644990 DZLVWKNWCQNAFF-LBPRGKRZSA-N 319.365 -0.321 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)[C@@]1(C)CCNC(=O)C1 1160905351 XQMPXLZCVFKOBY-WBMJQRKESA-N 324.425 -0.311 30 20 DBED CNC(=O)CN1CCC(CNC(=O)[C@H](C)C#N)(COC)CC1 1162166190 UNEJEAQWJVIWAT-GFCCVEGCSA-N 310.398 -0.263 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@@H]1CCCCN1CC 1176986108 DYWVYYDHQQBFSU-AWEZNQCLSA-N 308.426 -0.294 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](NCc2cnn(C)c2)C1 1182134524 PMFHTVOHKOHQHZ-CYBMUJFWSA-N 303.366 -0.750 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)COCC(F)F)C1 1184577251 WDXIKKMZTVCPPV-WDEREUQCSA-N 317.336 -0.404 30 20 DBED C#CCNC[C@@H]1CCN(C(=O)CN2CC(=O)N(C)C2=O)C[C@H]1C 1185493378 VAMPEXZYHIIGLD-OLZOCXBDSA-N 320.393 -0.412 30 20 DBED C[C@H]1CN(C(=O)CN2C(=O)CN(C)C2=O)CC[C@@H]1CNCC#N 1185641204 OQHGGPHIRDETGR-NWDGAFQWSA-N 321.381 -0.522 30 20 DBED N#CCSCC(=O)N1CC[C@H]2CN(Cc3nc(O)n[nH]3)C[C@H]21 1186917115 FSKFHTRIECCFNP-VHSXEESVSA-N 322.394 -0.200 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CN(Cc3cnnn3C)C[C@H]21 1187881713 BWFJFHXXBJLBBE-KCQAQPDRSA-N 317.393 -0.114 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)CS(=O)(=O)C(C)C)C1 1187916264 YGXOMBFOFSCEPW-CYBMUJFWSA-N 316.423 -0.350 30 20 DBED CN(C)[C@H](C(=O)N1CC[C@H](N(C)CC(=O)NCC#N)C1)C1CC1 1190655146 NTRNRHFECTUTHW-ZFWWWQNUSA-N 321.425 -0.501 30 20 DBED C=CCO[C@H](C)C(=O)N1CC[C@H](N(C)Cc2nnn(C)n2)C1 1194397497 WKWWANRTBVBSNW-NEPJUHHUSA-N 308.386 -0.166 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)CC[C@@H]2NC(=O)NC2=O)C1 1198507794 LMQAZCZTYFQRNL-QJPTWQEYSA-N 324.381 -0.898 30 20 DBED C#CCNC(=O)[C@H](C)NC1CCN(C(=O)c2cnsn2)CC1 1199491766 YJOAIETZRPBCSC-JTQLQIEISA-N 321.406 -0.130 30 20 DBED C=CCOCC(=O)N1CCC(NCc2nc(=O)n(C)[nH]2)CC1 1199787848 FLXKUKFPRBFMLS-UHFFFAOYSA-N 309.370 -0.608 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 1199980841 XDUGBTZGSHRIIF-UHFFFAOYSA-N 313.361 -0.170 30 20 DBED CCCNC(=O)CNC[C@H]1CN(C(=O)[C@@H](C)C#N)CCCO1 1200114616 GPMUCOYSOJSYLP-STQMWFEESA-N 310.398 -0.121 30 20 DBED C#Cc1cncc(C(=O)N2CCCO[C@@H](CNCC(N)=O)C2)c1 1201382477 WHPKEGIPICRJSK-AWEZNQCLSA-N 316.361 -0.631 30 20 DBED C#CCNC[C@@H]1CN(C(=O)[C@@H]2CCCC(=O)N2C)CCCO1 1201965347 KLUHHSGXXIYVHL-KGLIPLIRSA-N 307.394 -0.162 30 20 DBED C[C@H](CS(C)(=O)=O)C(=O)N1CCCO[C@H](CNCC#N)C1 1202172732 FKGSIJDJGMIWMD-VXGBXAGGSA-N 317.411 -0.602 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)[C@@H](OC)C2CC2)CC1 1205137492 LQHIUGWCTDLKSG-INIZCTEOSA-N 321.421 -0.011 30 20 DBED C#CCNCC1CCN(C(=O)c2nccnc2C(N)=O)CC1 1206918764 RFWQGVUMJMLVGC-UHFFFAOYSA-N 301.350 -0.350 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1C 1206947383 RQZMQROOZRSDJA-CHWSQXEVSA-N 315.439 -0.369 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2cn(C)nn2)C[C@H]1C 1206963356 BCOZXNHMFIKITJ-MBNYWOFBSA-N 305.382 -0.210 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)CC2OCCCO2)C1 1207885294 JSEFOCUKRKVUMX-ZDUSSCGKSA-N 323.393 -0.531 30 20 DBED CC#CCN[C@@H]1CCCN(C(=O)CN2CCCS2(=O)=O)C1 1208281956 FLPRPUDHJAJWHW-CYBMUJFWSA-N 313.423 -0.374 30 20 DBED COCC#CCN[C@H]1CCCN(C(=O)CCS(C)(=O)=O)C1 1208432460 BSIIUPQSYLMNDZ-ZDUSSCGKSA-N 316.423 -0.349 30 20 DBED CC#CCN[C@@H]1CCCN(C(=O)CCn2cc[nH]c(=O)c2=O)C1 1210155531 SISKPAHHLZQFAO-CYBMUJFWSA-N 318.377 -0.469 30 20 DBED COCC#CCN1C[C@@H](NC(=O)C[C@H]2CCN(C)C2)[C@H](OC)C1 1213718840 CGZKWKIDKXPFOI-BZUAXINKSA-N 323.437 -0.207 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](NCCNS(C)(=O)=O)[C@H](C)C1 1214338595 UKAUEUIJCGWAHE-HBNTYKKESA-N 302.400 -0.868 30 20 DBED C=CCOCCN[C@@H]1CN(C(=O)Cn2cnnc2O)C[C@H]1C 1214470289 RSYAMAFQNSZONW-VXGBXAGGSA-N 309.370 -0.377 30 20 DBED CC(C)[C@@H](C(=O)N1C[C@@H](NCC(=O)NCC#N)[C@H](C)C1)N(C)C 1214904918 QGTWSBQQGIDOFD-NFAWXSAZSA-N 323.441 -0.351 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)/C(C)=C\C 1217619606 DPJXBQSZTCYOOI-WWRZCIAWSA-N 305.378 -0.386 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(Cc2ncccn2)C[C@@H]1O 1219527125 JRTXVBPBZXILSA-XUJVJEKNSA-N 306.366 -0.535 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)CN(C)C(=O)COC)C1 1219738392 HFRFNFOHLJWUDM-MNOVXSKESA-N 319.789 -0.995 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)Cc2ncc(CC)[nH]2)C1 1219824939 ZEAQNXIKDHLGQR-KGLIPLIRSA-N 322.409 -0.122 30 20 DBED C=CCCCN1C[C@H](O)[C@H](NC(=O)CN2CCCNC2=O)C1 1219939378 COCSAXJDXWMMPH-OLZOCXBDSA-N 310.398 -0.471 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@@H](C)CN2CCOCC2)C1 1220986273 YWQHDMZFWFKEHN-ZNMIVQPWSA-N 309.410 -0.861 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)[C@H]3CCOC3)[C@@H]2C1 1221387886 WXMBQUFOIXBTGP-HZSPNIEDSA-N 305.378 -0.695 30 20 DBED CC#CCN1CCC(CNC(=O)CN2CCN(C)C(=O)C2)CC1 1223687121 MVIMYPIITMYNPW-UHFFFAOYSA-N 320.437 -0.388 30 20 DBED CNC(=O)C1(C(=O)NCC2CCN(CC#CCOC)CC2)CC1 1224846263 GVQFTTINKVPGBR-UHFFFAOYSA-N 321.421 -0.009 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)[C@@]23COC[C@@H]2C3)CC1 1227454327 PRLXZALUFYTHEK-LRDDRELGSA-N 305.378 -0.647 30 20 DBED CC(C)N(C)CC(=O)NC1CCN(CC(=O)NCC#N)CC1 1230374142 KJGNUUGYNYWWHD-UHFFFAOYSA-N 309.414 -0.453 30 20 DBED C#CCNC(=O)CC(=O)N(C)C[C@H]1CCN1Cc1csnn1 1233808746 CHDJARVBXLVUJI-GFCCVEGCSA-N 321.406 -0.290 30 20 DBED N#CCNC(=O)CN1CCC[C@@H](NC(=O)[C@@]23COC[C@@H]2C3)C1 1266217917 IYZNHNKDLZISFC-ZOWXZIJZSA-N 306.366 -0.757 30 20 DBED CC(=O)N1CCC[C@H](CNC(=O)C(=O)N2CC[C@@](F)(C#N)C2)C1 1322727796 MIQJYSZNCYQAKZ-IUODEOHRSA-N 324.356 -0.175 30 20 DBED CCN(CC)[C@H]1CCN(C(=O)C(=O)N2CCO[C@H](C#N)C2)C1 1325101061 AYUONHKCHGQYDH-QWHCGFSZSA-N 308.382 -0.320 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCC[C@]1(C)CO 1325695708 GAWLVTCHYZZSQE-CYBMUJFWSA-N 318.395 -0.923 30 20 DBED CC(C)(C)CN(CCO)C(=O)C(=O)N1CC[C@](O)(CC#N)C1 1326247302 AXHKRFQPXJQXQQ-OAHLLOKOSA-N 311.382 -0.270 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CCC[C@@H](N(C)C)C2)nn1 1326718769 ROXYCHXYHINZQQ-CYBMUJFWSA-N 320.397 -0.367 30 20 DBED CN(C)S(=O)(=O)N(CC#N)C[C@H]1CCCS(=O)(=O)C1 1327517320 KKTRUIINKWPJSN-SNVBAGLBSA-N 309.413 -0.557 30 20 DBED C[C@@H]1CN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)C[C@]1(C)CO 1327748898 OQBXPQFCJLXXFD-KCPJHIHWSA-N 309.366 -0.660 30 20 DBED COCC#CC(=O)N1CCN(c2nccn3cnnc23)[C@@H](C)C1 1329199062 HBFIPWCSYAYBAS-LBPRGKRZSA-N 314.349 -0.189 30 20 DBED Cn1c(N2CCOCC2)nn(CN2CCOC[C@H]2C#N)c1=S 1329580432 BNJPSMZYJXDOBX-LLVKDONJSA-N 324.410 -0.030 30 20 DBED C=CCOCCNC(=O)C(=O)N1CC[C@H]2NC(=O)CC[C@@H]2C1 1330776567 ANUQWZYPDURLRC-VXGBXAGGSA-N 309.366 -0.568 30 20 DBED CN(C)CC#CCNC(=O)C1CCC2(CC1)NC(=O)NC2=O 1334249740 COYDFQOWYRLGEG-UHFFFAOYSA-N 306.366 -0.564 30 20 DBED C#CCNCC(=O)Nc1ccc(C[C@@H]2NC(=O)NC2=O)cc1 1343573817 UUTJAEVYRKFFGH-LBPRGKRZSA-N 300.318 -0.402 30 20 DBED CSCCONC(=O)C(=O)NC1CCN(CC#N)CC1 1346166913 BQYGCSLJTCODTK-UHFFFAOYSA-N 300.384 -0.499 30 20 DBED C[C@@H](OC(=O)CCCC#N)C(=O)N[C@H]1CCS(=O)(=O)C1 1347436064 ZCURZVVHDHTUMW-ZJUUUORDSA-N 302.352 -0.085 30 20 DBED C=CCOC[C@H](NC(=O)[C@@H]1CN2CCN1C[C@@H]2C)C(=O)OC 1347532230 RUFRTSIDRKWLBS-AVGNSLFASA-N 311.382 -0.765 30 20 DBED N#Cc1cn(CC(=O)NCc2ccc(CO)cc2)c(=O)nc1O 1363121544 JJEDYZZSBYKBLD-UHFFFAOYSA-N 314.301 -0.371 30 20 DBED CNC(=O)CN1CCN(S(=O)(=O)CC2(CC#N)CC2)CC1 1365634641 NBVIZBHVBORLJC-UHFFFAOYSA-N 314.411 -0.626 30 20 DBED CN(CCN(C)C(=O)[C@H]1CCC(=O)N1)C(=O)c1cc(C#N)c[nH]1 1376223180 SUUUEQCFUNTNMH-LLVKDONJSA-N 317.349 -0.305 30 20 DBED CC(C)n1cnc(C(=O)NC[C@@H](O)CNC(=O)[C@@H](C)C#N)c1 1376658814 TUEYFADFKBMHBP-QWRGUYRKSA-N 307.354 -0.169 30 20 DBED CC(=O)N1CC(C(=O)NC[C@H](C)NC(=O)c2ccc(C#N)[nH]2)C1 1386242173 YGKUMQFVRHOVPO-VIFPVBQESA-N 317.349 -0.401 30 20 DBED Cc1nc(CC(=O)N(C)CCNC(=O)c2cc(C#N)c[nH]2)n[nH]1 1387677997 ZMFRNCPVWRBQRT-UHFFFAOYSA-N 315.337 -0.256 30 20 DBED CC(C)S(=O)(=O)CC(=O)NCCN(C)C(=O)[C@H](C)C#N 1387756707 UJEZLVGRNDOBCR-SNVBAGLBSA-N 303.384 -0.456 30 20 DBED CCCn1cc(C(=O)NC[C@@H](O)CNC(=O)[C@H](C)C#N)cn1 1389112760 MNOOOHIKKVQMGR-PWSUYJOCSA-N 307.354 -0.340 30 20 DBED CNC(=O)NC(=O)[C@@H](C)N1C[C@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2C1 1393414909 LQXUBJGFGMBSSP-KKOKHZNYSA-N 321.381 -0.620 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H](C)CNC(=O)CCn1cnccc1=O 1395161886 MROFQURPVHWCGJ-NWDGAFQWSA-N 319.365 -0.244 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1C[C@@H](NC(=O)CCn2cnnn2)C1 1396541299 SWVMZAAPZJBLJF-MXWKQRLJSA-N 305.342 -0.766 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](NC(=O)CCn2cnccc2=O)C1 1397157219 BMUCOIQOLVGAOA-NEPJUHHUSA-N 317.349 -0.490 30 20 DBED C=C(Cl)CN1CCO[C@@H](CNC(=O)CCNC(=O)NC)C1 1401164907 PENXAZDJDFWRLL-NSHDSACASA-N 318.805 -0.125 30 20 DBED Cc1nnc(N2CCO[C@@H](C#N)C2)n1CC1(O)CCOCC1 1401414072 FWRQXGRUGLDOPG-LBPRGKRZSA-N 307.354 -0.143 30 20 DBED CN1CCN(S(=O)(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CC1 1414324474 SCJCGZSEJQBYEK-ZDUSSCGKSA-N 313.427 -0.849 30 20 DBED C[C@H](C#N)C(=O)NCCN(C)C(=O)[C@@H]1CCc2nnc(O)n2C1 1415595832 ACIYAFQRYSGKJW-NXEZZACHSA-N 320.353 -0.720 30 20 DBED C[C@@H](C#N)C(=O)NC[C@]1(C)CCN(C(=O)CS(C)(=O)=O)C1 1417359280 MCEUDCDIMXJHLG-GWCFXTLKSA-N 315.395 -0.455 30 20 DBED C[C@H](C#N)C(=O)N(C)C1CCN(CCNS(C)(=O)=O)CC1 1419073578 PYLJRQLVZZVOBO-LLVKDONJSA-N 316.427 -0.382 30 20 DBED C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCC[C@H](C#N)C1 1422219004 UHKIRZXBPDPSRU-VHSXEESVSA-N 319.365 -0.527 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H](CNC(=O)CCNC(N)=O)C1 1428342734 AXOFWYBEBVKYMQ-WDEREUQCSA-N 309.370 -0.441 30 20 DBED CNC(=O)NCC(=O)N[C@@H](C)CNC(=O)c1cc(C#N)c[nH]1 1430557709 YYEOANQIYCFOCN-QMMMGPOBSA-N 306.326 -0.950 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCNC(=O)CCn1ccccc1=O 1448929194 MKUGOPDOWBGASY-LBPRGKRZSA-N 304.350 -0.027 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCN(C)C(=O)[C@@H](C)CS(C)(=O)=O 1457792669 BOQKUVOXNHRSHA-QWRGUYRKSA-N 317.411 -0.256 30 20 DBED CN1CCC[C@@H]1CNC(=O)NCCn1cc(C#N)c(O)nc1=O 1470832731 IMMNSHUZBRVLNY-LLVKDONJSA-N 320.353 -0.786 30 20 DBED COCC#CCN[C@H]1CCN(C(=O)[C@H](C)CN2CCOCC2)C1 1490857292 FNSVYDJLQZEBCG-CVEARBPZSA-N 323.437 -0.205 30 20 DBED C=CCn1c([C@@H](CC)CO)nnc1N1CCO[C@@H](C(=O)NC)C1 1520473175 ZJQIMFKYNUJPQZ-NWDGAFQWSA-N 323.397 -0.099 30 20 DBED CC(C)[C@H]1C(=O)NCCN1c1cnc(C#N)c(-c2nn[nH]n2)n1 1574089982 GXSKVROOWCUJAM-NSHDSACASA-N 313.325 -0.511 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2CN(C(=O)O)C[C@H]2CO)cc1O 1574245228 IVWKHDWQRUARPL-QWRGUYRKSA-N 305.290 -0.036 30 20 DBED CCOC(=O)[C@](C)(O)CNc1cnc(-c2nn[nH]n2)c(C#N)n1 1578240927 GIKFGUOGCRKITJ-GFCCVEGCSA-N 318.297 -0.746 30 20 DBED CCOC(=O)[C@](C)(O)CNc1cnc(C#N)c(-c2nn[nH]n2)n1 1578241220 NHGFTXDOXPQPMX-GFCCVEGCSA-N 318.297 -0.746 30 20 DBED Cc1nc(O)c2c(n1)CN(c1cnc(C#N)c(-c3nn[nH]n3)n1)C2 1581530571 GPSORNGWLZZRPW-UHFFFAOYSA-N 322.292 -0.147 30 20 DBED N#Cc1nc(NC(=O)[C@]2(C#N)CCCOC2)[nH]c1-c1nn[nH]n1 1581860365 XAHIITUWHUGUEO-LBPRGKRZSA-N 313.281 -0.280 30 20 DBED N#Cc1ncc(NC[C@@H]2CCN(C(N)=O)C2)nc1-c1nn[nH]n1 1581884154 MXJGBBZGWVXNOU-ZETCQYMHSA-N 314.313 -0.659 30 20 DBED C#CCN(CC(=O)NC[C@H](O)CC(=O)O)C(=O)OC(C)(C)C 1588465990 QLECOIUYWFIYSK-SNVBAGLBSA-N 314.338 -0.192 30 20 DBED C=C[C@@H](C(=O)O)n1cc(CN2CCS(=O)(=O)CC2)nn1 1588672125 OVOWMUAEDKNCRV-JTQLQIEISA-N 300.340 -0.680 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N1CC[C@@](OC)(C(=O)O)C1 1588828892 RXHMYLIXESKSBF-AWEZNQCLSA-N 314.338 -0.651 30 20 DBED CC#CC[C@@H](CO)NC(=O)C(=O)Nc1cc(C(=O)O)n(C)c1 1588926440 YBCUHENBKRZLGY-VIFPVBQESA-N 307.306 -0.448 30 20 DBED N#CC1(C(=O)O)CCN(C(=O)[C@]2(F)CCS(=O)(=O)C2)CC1 1601049626 TWAADXYJKMDSDO-LBPRGKRZSA-N 318.326 -0.270 30 20 DBED C=CCOC[C@H](NS(=O)(=O)c1ccc(C#N)nc1)C(=O)O 1602915718 SQUSQPLOVOBAIH-NSHDSACASA-N 311.319 -0.113 30 20 DBED C[C@H]1CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)C[C@@H]1C(=O)O 1603416828 BTLGGWIZYREASV-WPRPVWTQSA-N 320.305 -0.610 30 20 DBED COCCN1CC[C@@H](Nc2cnc(-c3nn[nH]n3)c(C#N)n2)C1 1605105118 SYVUBQQBMRWVPU-SECBINFHSA-N 315.341 -0.339 30 20 DBED CCN(C[C@@H](C)C#N)C(=O)CN1CCN(C)C[C@H](C(=O)O)C1 1609994236 VOGYLSHLRSYWIU-STQMWFEESA-N 310.398 -0.057 30 20 DBED CC(C)N1CCN(CCC(=O)NCCn2cnc(C#N)n2)CC1 1646247707 IVWUAFKOFLEFBJ-UHFFFAOYSA-N 319.413 -0.318 30 20 DBED C[C@@H](C#N)C(=O)NCCCN(C)CC(=O)N1CCO[C@H](C)C1 1751951904 ARLJBLOPCJTFBG-QWHCGFSZSA-N 310.398 -0.169 30 20 DBED C=CCNC(=O)NC(=O)CN[C@H]1C[C@@H](NC(=O)c2ccon2)C1 1752715797 MWEPCTUKHZIVFT-AOOOYVTPSA-N 321.337 -0.463 30 20 DBED CCN(CC#CCOC)CCNC(=O)[C@@H]1CCCN(C(N)=O)C1 1753085720 MTFSQRUSQNKBRP-CQSZACIVSA-N 324.425 -0.135 30 20 DBED C=CCN1CC[C@@H](N(CC)C(=O)Cn2cnc(C(N)=O)n2)C1 1753457836 YVSXFBZYLJOAFQ-LLVKDONJSA-N 306.370 -0.514 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(Cc2nncn2C)CCO1 1753650733 YNVOXTGGMKPMGB-ZDUSSCGKSA-N 305.382 -0.064 30 20 DBED C=CCNC(=O)[C@H](C)NC[C@@H]1CCCN1C(=O)c1nnn(C)n1 1754615331 KOWRMZAUVSVILA-QWRGUYRKSA-N 321.385 -0.905 30 20 DBED CN(C)C(=O)Cn1cc(C(=O)N2CCC[C@H]2CNCC#N)nn1 1754622457 RTKOFCCUYRNAKK-NSHDSACASA-N 319.369 -0.916 30 20 DBED C#CCCN1CC[C@H](N2CCN(C(=O)[C@H](C)NC(C)=O)CC2)C1 1754661323 BVHQUWDTBPAHMF-HOCLYGCPSA-N 320.437 -0.247 30 20 DBED C=C(Cl)CN1CC[C@](O)(CNC(=O)[C@H]2CCCNC2=O)C1 1754755705 XYJQWQBALOOTCF-FZMZJTMJSA-N 315.801 -0.182 30 20 DBED C#CCN1CC[C@@](O)(CNC(=O)c2ncn(C(C)(C)C)n2)C1 1754757234 GTECHWUMZQDHOV-OAHLLOKOSA-N 305.382 -0.167 30 20 DBED C#CCNC(=O)CN1CCOC[C@H]1CNC(=O)[C@]1(C)C=CCC1 1754970132 NJAZWDGFTPGKJS-RHSMWYFYSA-N 319.405 -0.091 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)CCCN(C)C(=O)[C@@H]1CCNC1=O 1755041911 ZOSSKLBOJDZJGI-CHWSQXEVSA-N 322.409 -0.959 30 20 DBED COCCOCCN1CC2(C[C@H](NC(=O)[C@H](C)C#N)CO2)C1 1755060292 ZHDLNEOVHCZCCV-OLZOCXBDSA-N 311.382 -0.231 30 20 DBED C#CCNC(=O)CNCC1(O)CCN(C(=O)[C@@H](F)CC)CC1 1755151532 IKICUJSRYPOIEY-LBPRGKRZSA-N 313.373 -0.573 30 20 DBED C#CCNC(=O)CN[C@@H](C)[C@H](C)NC(=O)c1ncc(OC)cn1 1755242990 GODIIZDCGCQCPE-QWRGUYRKSA-N 319.365 -0.669 30 20 DBED C#CCCN1CC([C@H](C)NC(=O)[C@@H](C)N2C(=O)CCC2=O)C1 1755379813 SNLQKWOGUHQHGK-NWDGAFQWSA-N 305.378 -0.016 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](CNC(=O)c3cccnn3)[C@H]2C1 1755429090 APHSDXQVYPVFPW-XYYAHUGASA-N 315.377 -0.314 30 20 DBED CC#CCN[C@@H](CO)CNC(=O)Cn1nnc2c1CCCC2 1755639239 MFZJQMYORKAKFN-GFCCVEGCSA-N 305.382 -0.753 30 20 DBED CCCN(C)CC(=O)N1C[C@H](NCC(=O)NCC#N)C[C@@H]1C 1755688905 LJVDTAPABWTTTH-QWHCGFSZSA-N 309.414 -0.453 30 20 DBED C#CCOCCC(=O)N[C@H](C)[C@H](C)NC(=O)[C@@H]1[C@H]2COC[C@H]21 1755971806 VGRQPMDTEJKXLD-JYKNGBAOSA-N 308.378 -0.072 30 20 DBED C=CCCC(=O)N[C@H]1CCN(C(=O)CN2CCOCC2=O)[C@H]1C 1756566150 KXULXDOZULNROT-STQMWFEESA-N 323.393 -0.083 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CC[C@@H](NC(=O)c2cnn[nH]2)C1 1756644916 OPBVVXGQKRCXIU-VXGBXAGGSA-N 319.365 -0.141 30 20 DBED CC(C)[C@H](F)C(=O)N[C@@H]1CN(C(=O)CSCC#N)C[C@H]1O 1757024411 DGSSMWHZEIPLQM-FOGDFJRCSA-N 317.386 -0.075 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cncc(O)c1)CCO2 1783056107 NDXOOAPPZNKNPV-MRXNPFEDSA-N 315.329 -0.136 30 20 DBED C/C=C/C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783564715 DHXSKHQCARNGGH-XYBNCVKDSA-N 306.318 -0.520 30 20 DBED C#CC(=O)NC[C@@H]1CCN(C(=O)[C@@H](N)CN)[C@@H]1c1cccnc1 1812527927 YELAWDYZWMTAML-KCQAQPDRSA-N 315.377 -0.993 30 20 DBED C#CCCC(=O)N1CCCC12CN(C(=O)[C@H]1CCC(=O)N1)C2 1846995664 DQVMICYKJWYPJU-GFCCVEGCSA-N 303.362 -0.118 30 20 DBED Cn1nncc1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C1(C#N)CC1 1848279372 CQAJIVBCUIHSMR-QWRGUYRKSA-N 314.349 -0.066 30 20 DBED C=CCNC(=O)NC(=O)CN(CCOC)CC(=O)N(C)C 51920510 VJRLWELPRHZJGH-UHFFFAOYSA-N 300.359 -0.965 30 20 DBED CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)N1CCN(CC#N)CC1 126441685 ZCGSKVMLJRCFSK-LLVKDONJSA-N 316.427 -0.382 30 20 DBED CCNC(=O)C(C)(C)C/N=C(\NC)NCCN1CCOCC1 157404896 DBGDTMYGCSHEKP-UHFFFAOYSA-N 313.446 -0.354 30 20 DBED C[C@H](CC#N)N(C)CC(=O)NCCCN(C)S(C)(=O)=O 161921669 VRNUBIQIRQJGMS-LLVKDONJSA-N 304.416 -0.382 30 20 DBED C#CCN1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1 172988381 MJQXXBKAUQGAGS-UHFFFAOYSA-N 320.374 -0.204 30 20 DBED C=CCNS(=O)(=O)c1cc(C(=O)NCCN)ccc1F 237969339 FWSPGTQVVIHSSJ-UHFFFAOYSA-N 301.343 -0.022 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)Nc2nnc(SC)[nH]2)C1=O 263866842 KCRQGSHCGGRCGY-UHFFFAOYSA-N 324.322 -0.558 30 20 DBED CC(C)NC(=O)C(=O)N1CCN(C(=O)C2(C#N)CCC2)CC1 265452802 PHMXWPBEHJYLFZ-UHFFFAOYSA-N 306.366 -0.124 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCCSC2)C1=O 267202230 DKBARKDCYYCWKV-VIFPVBQESA-N 311.363 -0.025 30 20 DBED C=CCCOCCNC(=O)C(=O)N(C[C@@H](C)O)[C@@H](C)CO 289422106 PWRLUPGFQMPMGP-NWDGAFQWSA-N 302.371 -0.715 30 20 DBED N#Cc1cc(C(=O)NCCOCCS(N)(=O)=O)ccc1F 294157312 BPVVDZQCFJMRNF-UHFFFAOYSA-N 315.326 -0.268 30 20 DBED O=C1C[C@H](N/C(O)=N/C[C@H]2CCCS2(=O)=O)CN1C1CC1 330073898 KUPTZVQWUMDTHQ-GXSJLCMTSA-N 315.395 -0.170 30 20 DBED C[C@H](C(=O)N(C)CC(=O)N1CCO[C@@H](C#N)C1)n1cccn1 330656632 OYPJMDOMVCUYGK-NEPJUHHUSA-N 305.338 -0.347 30 20 DBED CC(C)NC1CCN(/C(O)=N/CCNS(C)(=O)=O)CC1 330740325 OXZHBXXGWIHJOH-UHFFFAOYSA-N 306.432 -0.088 30 20 DBED CNS(=O)(=O)c1cccc(C(=O)N2CCOC[C@H]2C#N)c1 330929291 NCCOXMMROGQSOT-LLVKDONJSA-N 309.347 -0.041 30 20 DBED CCS(=O)(=O)NCCC/N=C(/O)N[C@@H]1CCN(C(C)=O)C1 330975420 CQLOHULXUCSJGT-LLVKDONJSA-N 320.415 -0.560 30 20 DBED COc1ncc(NC(=O)[C@H](C)n2cnc(C#N)n2)cc1C(N)=O 336966988 LLDZUXSZPXCEDW-ZETCQYMHSA-N 315.293 -0.148 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N1CCN(C[C@@H](C)O)CC1 337844336 WNNQMWNWBMZKBZ-NWDGAFQWSA-N 304.416 -0.536 30 20 DBED COC(=O)c1cc(C#N)c(=O)n(CC(=O)NCCCN(C)C)c1 346623390 WXGOKFCGWSQKJE-UHFFFAOYSA-N 320.349 -0.426 30 20 DBED C=CCOCCCN[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 348049050 IJXCINKMCJCTLQ-UONOGXRCSA-N 318.439 -0.334 30 20 DBED Cc1cc(NC(=O)C(=O)NCC[C@H](O)C(C)C)nn1CCC#N 349287285 VGVVDPZIMMJOPW-LBPRGKRZSA-N 321.381 0.567 30 20 DBED COC(=O)C[C@@]1(NCC(=O)N(CCC#N)CCC#N)CCOC1 362270920 RKPSHUPJBWPABZ-HNNXBMFYSA-N 322.365 -0.046 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N[C@H]1CCC(=O)N(C)C1=O 425230022 UKQYLBLNZAQIFL-IUCAKERBSA-N 302.356 -0.940 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@](C)(C#N)COC)C1=O 433965572 CTNNSHIAHPSXPM-ZDUSSCGKSA-N 308.294 -0.992 30 20 DBED C#CCN1CCC[C@@H]1COC(=O)c1cn(CC(=O)N(C)C)nn1 490616370 KPMBZBIVOAPAMO-GFCCVEGCSA-N 319.365 -0.379 30 20 DBED C#CCN(C)CCCNC(=O)CCc1nc(-c2nc[nH]n2)no1 491782186 OLXBTZRJDHUUQT-UHFFFAOYSA-N 317.353 -0.141 30 20 DBED CNS(=O)(=O)NC1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 535836374 SPCQPIWYVFJTFJ-UHFFFAOYSA-N 311.367 -0.455 30 20 DBED C[C@@H](CNC(=O)CNS(=O)(=O)c1cccc(C#N)c1)N(C)C 562715268 PGHRHIZYJJLVGA-NSHDSACASA-N 324.406 -0.097 30 20 DBED Cc1cnc(CCNc2c(C#N)c(=O)n(C)c(=O)n2C)cn1 565226680 PSIHJXIZRANQRG-UHFFFAOYSA-N 300.322 -0.291 30 20 DBED CN1CCNC[C@H]1CNS(=O)(=O)c1ccc(C#N)cc1F 566224389 NEWJYDXJTYRFAH-NSHDSACASA-N 312.370 -0.121 30 20 DBED N#CCN1CCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 579779154 FPPFEPKJIGVYMZ-UHFFFAOYSA-N 311.323 -0.180 30 20 DBED COCCN(CCC#N)CC(=O)NC(=O)N[C@H](C)COC 610391874 ZJIZZZFIJPNOIR-LLVKDONJSA-N 300.359 -0.291 30 20 DBED CCOC(=O)CCCNC(=O)CN1CCN(CCC#N)CC1 611175262 WIHFNWAKLIIKEC-UHFFFAOYSA-N 310.398 -0.023 30 20 DBED CC(C)[C@@H](C#N)N1CCN(CC(=O)N2CCN(C)CC2)CC1 611432032 IXNWRWBSZYYFOI-OAHLLOKOSA-N 307.442 -0.074 30 20 DBED CC#CC[C@@H](CO)NC(=O)Nc1cnn(CC(=O)N(C)C)c1 646290841 KIYNBDUGYDBEKN-NSHDSACASA-N 307.354 -0.133 30 20 DBED C=CCNC(=O)CN1CCN(c2ncnc3c2OCCN3)CC1 665689563 HNVYKZCDYBLVTJ-UHFFFAOYSA-N 318.381 -0.295 30 20 DBED C#CCCS(=O)(=O)N1CCCC[C@H]1CNS(C)(=O)=O 710844749 KFVDUEGBOATUIV-NSHDSACASA-N 308.425 -0.257 30 20 DBED N#CCCNC(=O)CN1CCN(c2ccc(C(N)=O)cc2)CC1 735495000 NNXMBTGYZBJMTR-UHFFFAOYSA-N 315.377 -0.063 30 20 DBED Cn1c(C=NNc2cccnn2)nc2c1c(O)nc(=O)n2C 735973194 BXTYPQHOXMIWNN-UHFFFAOYSA-N 300.282 -0.391 30 20 DBED Cc1cc(C=NNC(=S)NCC(N)=O)ccc1-n1cncn1 743442333 VFHNWBIRUBPDKI-UHFFFAOYSA-N 317.378 -0.141 30 20 DBED C#CCNC(=O)[C@@H](C)Sc1nc(O)cc(=O)n1CCOC 749777804 CLFBPNACEUDCDQ-SECBINFHSA-N 311.363 -0.175 30 20 DBED N#Cc1ccc(S(=O)(=O)NC(=O)[C@H]2CCNC(=O)C2)cc1 761003764 KFCXPJRPKDCYHD-JTQLQIEISA-N 307.331 -0.111 30 20 DBED N#Cc1ccc(CNC(=O)NCCS(=O)(=O)NC2CC2)nc1 780302516 YUZNPVUDRJPMLQ-UHFFFAOYSA-N 323.378 -0.166 30 20 DBED COC[C@H](C#N)OC(=O)c1cc(S(=O)(=O)N(C)C)c[nH]1 785164974 PVNMEHZVHWLHRS-QMMMGPOBSA-N 301.324 -0.040 30 20 DBED C#C[C@H](NC(=O)NCCn1cc(C(=O)OC)nn1)[C@@H]1CCCO1 790833285 BYHMKUWMARLUES-JQWIXIFHSA-N 321.337 -0.455 30 20 DBED C#CCN1CCC(C(=O)NC2(CO)COC(C)(C)OC2)CC1 791241570 UCNFRBGQOPMTPX-UHFFFAOYSA-N 310.394 -0.038 30 20 DBED CCOC(=O)CNC(=O)[C@@H]1COCCN1CCO[C@@H](C)C#N 801938542 GLASRGNSTFEBNF-RYUDHWBXSA-N 313.354 -0.705 30 20 DBED N#Cc1cccc(C(=O)NCCS(=O)(=O)N2CCOCC2)n1 810273836 WWJNHEIHEQIQON-UHFFFAOYSA-N 324.362 -0.655 30 20 DBED C[C@@H](CCN)NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 834453689 VGPQTXPFIXKYLE-VIFPVBQESA-N 310.379 -0.421 30 20 DBED Cc1ccc(S(N)(=O)=O)cc1C(=O)N[C@@H]1CNC[C@@H]1C#N 834499119 FCMUBJHMVFQRPU-JOYOIKCWSA-N 308.363 -0.516 30 20 DBED CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)N[C@H]1CNC[C@H]1C#N 834499927 ORTWGIWPUMZMMZ-VGMNWLOBSA-N 306.288 -0.083 30 20 DBED COc1nccc(C=NNC(=S)NCCN2CCOCC2)n1 834919759 KOIJKFXXZBNHMJ-UHFFFAOYSA-N 324.410 -0.385 30 20 DBED COC(=O)CNC(=O)CNC(=O)c1ccccc1OCC#N 848012663 NWFFQYXLNVFZOI-UHFFFAOYSA-N 305.290 -0.392 30 20 DBED C=CC(=O)N(C)CC(=O)N(CCC#N)CCN1CCOCC1 858945948 YDTIMIPNCKKFFI-UHFFFAOYSA-N 308.382 -0.295 30 20 DBED CON(C)C(=O)[C@H](C)NC(=O)N1CCN(C2CC2)[C@H](C#N)C1 858970631 PUMIMWAFPIOYOZ-CMPLNLGQSA-N 309.370 -0.224 30 20 DBED Cc1cnn([C@@H]2CCCNC2)c1C(=O)N[C@@H]1CNC[C@@H]1C#N 876801828 JJXDVQGBOHLYEO-YNEHKIRRSA-N 302.382 -0.043 30 20 DBED CC1(C)NC(=O)N(CCC(=O)OCC(=O)NCCC#N)C1=O 918020991 QUYYWHCVRGBNFW-UHFFFAOYSA-N 310.310 -0.720 30 20 DBED CN(C(=O)Cn1cnnn1)[C@H]1CCN(C(=O)C#CC2CC2)C1 937347785 SRDGAEGRHWXWRF-LBPRGKRZSA-N 302.338 -0.854 30 20 DBED Cc1nn[nH]c1C(=O)N[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 938398221 BBSIZHYKKJLCFB-JTQLQIEISA-N 313.321 -0.043 30 20 DBED C=CCCn1cc(C(=O)N2CCO[C@H](CNC(C)=O)C2)nn1 944432444 STYIUUMPMRAAIZ-GFCCVEGCSA-N 307.354 -0.169 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2[C@H]3C[C@H]2N(C(=O)CC(N)=O)C3)cn1 947672990 DALAYWYDPDECDC-JVLSTEMRSA-N 312.329 -0.733 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@H]2CNC(=O)c2ncn(C)n2)cn1 949758908 IZNUQFWZDYWUCZ-ZDUSSCGKSA-N 324.344 -0.164 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]1CNC(=O)c1cccn2nnnc12 950162968 PGQZDFJXRVKVMW-NXEZZACHSA-N 313.321 -0.385 30 20 DBED Cc1nn[nH]c1C(=O)NC[C@H]1CCN1C(=O)c1c[nH]c(C#N)c1 951441990 KBSZBJGVEIKSBN-LLVKDONJSA-N 313.321 -0.043 30 20 DBED C=CC(C)(C)C(=O)N1CC(N(C)C(=O)C2CS(=O)(=O)C2)C1 954366800 QXNYASSKILXGIP-UHFFFAOYSA-N 314.407 -0.088 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cc[n+]([O-])cc2)C1 958466423 QSCPWCIELPBFRG-DRZSPHRISA-N 318.333 -0.877 30 20 DBED C#CCCN1C[C@H](O)[C@H](CNC(=O)c2ccc(C(N)=O)cn2)C1 958744405 MQIGEGZOYCYNBA-OCCSQVGLSA-N 316.361 -0.774 30 20 DBED C#CCN1C[C@H]2[C@H](NC(=O)[C@@H]3CCc4nnc(O)n4C3)[C@H]2C1 960661249 ZAMXCHQFJCCXSH-DCQANWLSSA-N 301.350 -0.774 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H]2CN(C(=O)c3cocn3)C[C@@H]21 960881570 JWLQUJLKGSKVOC-ADEWGFFLSA-N 304.306 -0.114 30 20 DBED Cn1nnc2c1C[C@H](C(=O)N[C@H]1[C@@H]3CN(CC#N)C[C@@H]31)CC2 961596593 FPJRMGRPVGJOTE-PUHVVEEASA-N 300.366 -0.510 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CC(=O)N(C)C3)C[C@@H]2C1 961733800 VUWKDCQIJAWHOJ-LPWJVIDDSA-N 318.377 -0.459 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2CN(C(=O)C(N)=O)C[C@@H]2C)c1 966754650 OBTFNQBOCZIPHO-JOYOIKCWSA-N 300.318 -0.875 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)C3=COCCO3)C[C@@H]2O)C1 970378080 UBZCCPZLFNIXNS-NEPJUHHUSA-N 322.361 -0.081 30 20 DBED C=CCn1cc(C(=O)N[C@H](C)C2CN([C@H](C)C(=O)NC)C2)nn1 970544563 NYWBVFYKUFFIRW-GHMZBOCLSA-N 320.397 -0.351 30 20 DBED CS(=O)(=O)CC(=O)N1C[C@H]2CCN(C(=O)C#CC3CC3)C[C@H]21 971480413 RKMAUUVGMGJIDE-CHWSQXEVSA-N 324.402 -0.496 30 20 DBED CN(CC(=O)N1CCOCC1)[C@@H]1CCN(C(=O)C#CC2CC2)C1 971509864 WEWIZVYYPPFJBV-OAHLLOKOSA-N 319.405 -0.209 30 20 DBED CC#CCN1CCO[C@]2(CCN(C(=O)C(C)(C)C(N)=O)C2)C1 972419198 BYMWZFVESHABRE-MRXNPFEDSA-N 307.394 -0.176 30 20 DBED C=CCN1C[C@H]2C(CNC(=O)c3cn(C)c(=O)n(C)c3=O)[C@@H]2C1 978797754 ASLSUEVVLGMYEC-RYUDHWBXSA-N 318.377 -0.822 30 20 DBED C=C(C)CN1C[C@@H]2C(CNC(=O)c3cn(C)c(=O)nc3O)[C@H]2C1 979078701 YTTCGKSVXLANCF-VXGBXAGGSA-N 318.377 -0.030 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)c2ccn(C)n2)C1 991731397 CHTIKONBQPQGRU-YPMHNXCESA-N 304.350 -0.048 30 20 DBED C[C@H](C#N)C(=O)N1CCC(OC2CN(C(=O)CC(N)=O)C2)CC1 994823454 YWXRVXCADUSXEQ-SNVBAGLBSA-N 322.365 -0.760 30 20 DBED Cn1cc(C(=O)NCc2cn([C@@H]3CCN(CC#N)C3)nn2)cn1 999965219 HZEIWAMULJQTTO-CYBMUJFWSA-N 314.353 -0.288 30 20 DBED C[C@H](C#N)C(=O)N1CCC(=O)NCCN(C(=O)C2CC2)CC1 1001778304 VLZRPTFAURQSDQ-LLVKDONJSA-N 306.366 -0.267 30 20 DBED C#Cc1ccc(C(=O)NCC2CN(C(=O)c3ncn(C)n3)C2)nc1 1003467558 FDINFVGTRWDDHG-UHFFFAOYSA-N 324.344 -0.307 30 20 DBED C#CCN1CCC(NC(=O)CN2C(=O)NC(=O)C2(C)C)CC1 1003909552 WKHYWUGJYYMPIR-UHFFFAOYSA-N 306.366 -0.469 30 20 DBED C=CCCN1CCC(N(C)C(=O)Cn2cnc(C(N)=O)n2)CC1 1005414267 CTACXRZTYWDNKK-UHFFFAOYSA-N 320.397 -0.124 30 20 DBED C#CCCN1CCC(N(C)C(=O)CN2C(=O)CN(C)C2=O)CC1 1006377620 PVDJEGICXFLDHM-UHFFFAOYSA-N 320.393 -0.174 30 20 DBED Cc1c(C(=O)N2CC3(CCN(C(=O)[C@@H](C)C#N)C3)C2)nnn1C 1018893230 ATJIDCPCDKHMJB-JTQLQIEISA-N 316.365 -0.042 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CC3(F)F)C[C@H]2O)c[nH]1 1023465930 JXLBUNJMJXCCBN-HBNTYKKESA-N 324.287 -0.157 30 20 DBED CCn1nccc1C(=O)N[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1O 1023502669 BGCRRUFMJSYMMH-CKYFFXLPSA-N 305.338 -0.636 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CN(C(=O)CCC)C[C@H]2O)nn1 1023768847 FCLVFSOJEARCDU-ZYHUDNBSSA-N 307.354 -0.434 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cn[nH]c2)C[C@H]1O 1025709749 YVQNGBBFOZWBLP-LPWJVIDDSA-N 320.349 -0.698 30 20 DBED CC(=O)N1CCOC[C@H]1C(=O)N1CCC[C@@H](N(C)CC#N)C1 1027688152 DBSZADFNDJRXGX-KGLIPLIRSA-N 308.382 -0.320 30 20 DBED C=C(C)CN1CC[C@@H](CNC(=O)[C@@H]2CCS(=O)(=O)N2)C1 1028990628 NIJGOZILXRHRIP-RYUDHWBXSA-N 301.412 -0.308 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1CCCN([C@H](CC)C(N)=O)C1 1030031495 TWOUZWVIRJNNGM-ZNMIVQPWSA-N 320.437 -0.072 30 20 DBED C#CCOc1ncccc1C(=O)NC1CN([C@@H](C)C(=O)NC)C1 1031276403 ZIXZWUOGVVFENW-NSHDSACASA-N 316.361 -0.358 30 20 DBED CCN(C(=O)[C@H]1CN(C(C)=O)CCO1)[C@@H]1CCN(CC#N)C1 1034027960 AKOYPSNLGLVMQI-ZIAGYGMSSA-N 308.382 -0.320 30 20 DBED C#CCCN1CCO[C@H](CNC(=O)[C@H]2CCCN(C(N)=O)C2)C1 1035434315 DYLWHYAFBHBGLY-UONOGXRCSA-N 322.409 -0.383 30 20 DBED C=CCN1CCO[C@H](CNC(=O)c2nc3ncccn3n2)C1 1035548992 DKSFWGUCKVTSKD-LLVKDONJSA-N 302.338 -0.259 30 20 DBED C#CCN1CCO[C@H](CNC(=O)c2ccc(=O)n(CC)n2)C1 1035551055 KASVWGLBYPPZJM-GFCCVEGCSA-N 304.350 -0.673 30 20 DBED N#CCN1CCO[C@@H](CNC(=O)c2noc3c2COCC3)C1 1035610669 NXFCSPCOGUBSNF-JTQLQIEISA-N 306.322 -0.299 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2CCN2Cc2cnon2)nn1 1038792568 XEYQSUAGKJCIRA-LLVKDONJSA-N 303.326 -0.149 30 20 DBED C=CCCN1CC[C@H]1CNC(=O)[C@H]1CCN(C)S1(=O)=O 1038801674 NNACXFWAAVBOCW-NWDGAFQWSA-N 301.412 -0.213 30 20 DBED C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1c(O)nnc1O 1039464680 RUYHSNUKIHTRAU-MNOVXSKESA-N 307.354 -0.059 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC[C@@](O)(CNC(=O)c2cnn[nH]2)C1 1040268712 KCYSAPBFQYUHFQ-IINYFYTJSA-N 323.353 -0.911 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC[C@@](O)(CNC(=O)c2cnco2)C1 1040389378 YEAVVCMWAXWYRP-HUUCEWRRSA-N 323.349 -0.305 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC[C@@](O)(CNC(=O)c2cnon2)C1 1040664438 DDHINXJZAHIBLZ-ZIAGYGMSSA-N 324.337 -0.910 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(O)CN(C(=O)C[C@@H](C)OC)C1 1042806950 MYGWLMLFGXDPLU-RISCZKNCSA-N 314.382 -0.572 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)C2CC=CC2)C1 1043032565 DTZZJJHKLCUVGJ-UHFFFAOYSA-N 306.362 -0.318 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)COC(C)C)C1 1043040186 OZZQOXOKPJGLPD-LBPRGKRZSA-N 312.366 -0.861 30 20 DBED C#CCCN1CC(N(C)C(=O)Cc2ccc(C(N)=O)nc2)C1 1043085768 RNARYBBQXWEZDR-UHFFFAOYSA-N 300.362 -0.111 30 20 DBED C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1N=c1cc[nH]cc1C#N 1043522168 RGWJRNOOUGETJA-SGESHTKJSA-N 313.361 -0.245 30 20 DBED N#Cc1cnc(N2C[C@H](O)[C@H](NC(=O)c3cccnn3)C2)cn1 1044133085 SEWJVWGCRKVYBW-NEPJUHHUSA-N 311.305 -0.882 30 20 DBED C#CCN[C@@H]1CCN(C(=O)CN2C(=O)NC(C)(C)C2=O)[C@@H](C)C1 1044845053 SDAVUDWFEXXLSC-NWDGAFQWSA-N 320.393 -0.081 30 20 DBED C#CCN1CCC2(CC1)CO[C@@H](CNC(=O)[C@H]1CCNC1=O)C2 1045677191 OFWKUQSEQYBZER-KGLIPLIRSA-N 319.405 -0.257 30 20 DBED N#CCN1[C@H]2CC[C@@H]1C[C@H](CNC(=O)C1CC(=O)NC(=O)C1)C2 1048574529 HQCXMNKSRYBFSD-LMKPVCQUSA-N 318.377 -0.078 30 20 DBED C[C@]12CN(C(=O)C(N)=O)C[C@H]1CN(c1nccnc1C#N)C2 1052545953 FTVGBOPHANEORT-OTYXRUKQSA-N 300.322 -0.882 30 20 DBED C#CCN1CC2(C1)CN(C(=O)[C@@H]1OC[C@@H]3COCC[C@@H]31)CCO2 1053353871 FFMDMKMKSPYZSL-SOUVJXGZSA-N 320.389 -0.416 30 20 DBED C=C(C)CN1CC2(C[C@@H](NC(=O)[C@H]3CN(C)CCO3)CO2)C1 1053765996 CAVNXYKIMPFJFP-ZIAGYGMSSA-N 309.410 -0.147 30 20 DBED CC(=O)N1CC[C@](C)(C(=O)N[C@H]2COC3(C2)CN(CC#N)C3)C1 1053976868 JCFBREKXCIFJTA-HIFRSBDPSA-N 320.393 -0.272 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)c3c[nH]c(C(N)=O)c3)CO2)C1 1054008414 AEYAORDCWCXQSA-LBPRGKRZSA-N 316.361 -0.290 30 20 DBED CC(C)C#CC(=O)N1C[C@H]2CN(C(=O)[C@H]3CCC(=O)N3)C[C@H]2C1 1055247104 KGOFFEWAUXMSKR-HZSPNIEDSA-N 317.389 -0.159 30 20 DBED CCn1ncc(C(=O)N2CCN(c3nccnc3C#N)CC2)n1 1055797559 XEHULHODRAJWOY-UHFFFAOYSA-N 312.337 -0.078 30 20 DBED N#Cc1nccnc1N1CCN(C(=O)CO[C@@H]2CCOC2)CC1 1055911488 ZCZNDWRAJCUNEI-GFCCVEGCSA-N 317.349 -0.198 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@](CO)(NC(=O)c2n[nH]cc2F)C1 1056106423 KWRWKJQOJTUVNV-OTYXRUKQSA-N 323.328 -0.208 30 20 DBED C=C[C@@H](CC)CC(=O)NCCN(CCO)C(=O)Cn1cnnn1 1056932819 BLWYQQRLSNXUDP-LBPRGKRZSA-N 324.385 -0.788 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)CCOCCOC 1057173974 MDMRSJDGFQPDDI-UHFFFAOYSA-N 316.398 -0.057 30 20 DBED N#Cc1c[nH]ccc1=NC1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 1057409139 OSXQDAYPJQJYNE-ZDUSSCGKSA-N 314.349 -0.541 30 20 DBED C=C[C@@](C)(O)CC(=O)N(CCO)CCNC(=O)c1cc(C)[nH]n1 1057450173 MQCFRTNRIPYNEE-OAHLLOKOSA-N 324.381 -0.404 30 20 DBED C=C[C@@](C)(O)CC(=O)N(CCO)CCNC(=O)c1cncn1C 1057451125 FZLQYTVPGWOCCU-OAHLLOKOSA-N 324.381 -0.702 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)CC[C@@H]1CCCN1C 1057966779 RNAQWENXTOMDCQ-KBPBESRZSA-N 324.425 -0.042 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)[C@H]1CC12CCOCC2 1058067529 NASCNPAEDZSHQF-QWHCGFSZSA-N 323.393 -0.100 30 20 DBED C=C[C@@H](CC)CC(=O)N(CCO)CCNC(=O)c1cnn[nH]1 1058471945 DGEUTPUAUHELQU-NSHDSACASA-N 309.370 -0.042 30 20 DBED CCc1nocc1C(=O)NCCN(CCO)C(=O)[C@H](C)C#N 1058656951 NJPGRSKNRGGNLH-SNVBAGLBSA-N 308.338 -0.053 30 20 DBED C[C@H](C(=O)N1CC[C@H](Nc2nccnc2C#N)C1)S(C)(=O)=O 1059109510 OAPWGFJVYDEHSN-ZJUUUORDSA-N 323.378 -0.206 30 20 DBED Cn1cccc(C(=O)N[C@H]2C[C@@H](N=c3cc[nH]c(C#N)n3)C2)c1=O 1059685871 CEELCKWHIDLJKI-PHIMTYICSA-N 324.344 -0.158 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](CCNC(=O)CCNC(N)=O)C1 1060292724 XCTSKJLRWRHXSL-WDEREUQCSA-N 309.370 -0.441 30 20 DBED CS(=O)(=O)CC(=O)N1CC[C@H](CNc2nccnc2C#N)C1 1060824680 HPLANJGXBSCRCV-SNVBAGLBSA-N 323.378 -0.347 30 20 DBED N#Cc1ccc(N2CCC[C@H]2CNC(=O)[C@@H]2COC(=O)N2)nn1 1061353234 FJVUWZOFMBNQLC-QWRGUYRKSA-N 316.321 -0.458 30 20 DBED O=C(C#CC1CC1)NC[C@H]1COCCN1C(=O)[C@H]1CCCO1 1061570321 YQNHYVOFSAJTHY-UONOGXRCSA-N 306.362 -0.078 30 20 DBED N#Cc1ccc(N2[C@H]3CC[C@H]2CN(C(=O)Cc2nc[nH]n2)C3)nn1 1061989696 UCOIRYIBFPKDAV-RYUDHWBXSA-N 324.348 -0.111 30 20 DBED C=CCCO[C@@H](C)C(=O)NC[C@H]1CCCCN1C(=O)C(N)=O 1062332559 LTKQDELEUKQABM-NWDGAFQWSA-N 311.382 -0.050 30 20 DBED N#Cc1cnc(N2C[C@@H]3C[C@H]2CN3C(=O)c2cncnc2O)cn1 1062539784 ARRYCHODPXFHBA-QWRGUYRKSA-N 323.316 -0.053 30 20 DBED C=CCO[C@@H](C)C(=O)NC1(CNC(=O)CC(=O)NC)CCC1 1062844607 DGPHUKCYBFLNJS-NSHDSACASA-N 311.382 -0.131 30 20 DBED O=C(C#CC1CC1)NC1(CNC(=O)c2c[nH]c(=O)cn2)CCC1 1064256370 UJRQTTADUFQDGE-UHFFFAOYSA-N 314.345 -0.048 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CN(C(=O)c2ccnnc2)CCO1 1065666886 CEVCANCLBJLLMP-JQWIXIFHSA-N 303.322 -0.407 30 20 DBED N#Cc1nccc(N2C[C@H](O)[C@H](CNC(=O)c3cocn3)C2)n1 1067654050 RMFBWPDKUHKVDF-KOLCDFICSA-N 314.305 -0.437 30 20 DBED N#Cc1cnc(N2C[C@H]3CC[C@H]2CN3C(=O)c2cnn[nH]2)cn1 1068071908 NJHWOZXJZZEMTP-WDEREUQCSA-N 310.321 -0.040 30 20 DBED C=CCOCC(=O)N1CC2(C1)CN(C(=O)[C@@H](C)OC)CCO2 1068325440 MHILTZGLPCMDIB-GFCCVEGCSA-N 312.366 -0.336 30 20 DBED C=CCCC(=O)N1CCOC2(C1)CN(C(=O)CCNC(N)=O)C2 1068347891 IEOKWUABRYDKKW-UHFFFAOYSA-N 324.381 -0.549 30 20 DBED O=C(C#CC1CC1)N[C@H]1COC2(C1)CN(C(=O)c1cnon1)C2 1068861039 XQOWQENQYBUJJF-LLVKDONJSA-N 316.317 -0.417 30 20 DBED C[C@@H]1C[C@@H](N=c2cc[nH]cc2C#N)CN1C(=O)Cn1cnnn1 1069005757 HXQNQKBYZFVBJY-ZYHUDNBSSA-N 312.337 -0.537 30 20 DBED C#CCN1CCn2ncc(CNC(=O)[C@H]3CN(C)CCO3)c2C1 1069857065 YCHNQGGPTKAATQ-OAHLLOKOSA-N 317.393 -0.721 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2snnc2C)C1 1069895071 AHGRQRRJINHTLT-MNOVXSKESA-N 317.378 -0.273 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2n[nH]c(C)c2C)C[C@@H]1n1ccnn1 1070163149 NHUCULWKUVDPQG-OLZOCXBDSA-N 313.365 -0.093 30 20 DBED N#CCN1C[C@H]2C[C@@H]3CN(C(=O)C4=COCCO4)C[C@@]3(C1)O2 1070753185 MCFZACVSPZHFEV-LALPHHSUSA-N 305.334 -0.300 30 20 DBED N#CCN1C[C@H]2C[C@H]3CN(C(=O)[C@@H]4CCC(=O)N4)C[C@@]3(C1)O2 1070881889 DJHCGSCNHXVLFR-OZTPJHRESA-N 304.350 -0.910 30 20 DBED C#CCN1CC[C@@]2(C1)CN(C(=O)C1CN(C(C)=O)C1)C[C@H](C)O2 1071159044 GPSWZXGCYIQVBH-SUMWQHHRSA-N 319.405 -0.210 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1C 1071555814 FCRIXZFCBMKRIQ-VXGBXAGGSA-N 322.369 -0.771 30 20 DBED C#CCN1C[C@@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)CC[C@@H]1C 1071865757 LLUXFZDNGZPMPF-QWRGUYRKSA-N 320.349 -0.991 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@@H]1C 1072014224 NPRFSCULAWQHIK-NWDGAFQWSA-N 321.381 -0.016 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1C 1072543077 GYQKYDYQBSINPS-GHMZBOCLSA-N 304.354 -0.554 30 20 DBED C=CCCC(=O)NCC1(O)CCN(C(=O)Cn2nccn2)CC1 1074598933 NQWKKYTXKDMWHN-UHFFFAOYSA-N 321.381 -0.286 30 20 DBED C#CCCN1C[C@@H]2CCN(C(=O)CN3C(=O)CN(C)C3=O)[C@@H]2C1 1076545368 YENWSTFVFBBOPH-QWHCGFSZSA-N 318.377 -0.564 30 20 DBED C[C@@H](CCNC(=O)[C@@H](C)CC(N)=O)NC(=O)CSCC#N 1077726633 UHUSTKZWBMALOL-UWVGGRQHSA-N 314.411 -0.234 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H](C)CCNC(=O)c1nnn(C)n1 1077880425 BBOPCTYXPLHIIA-VHSXEESVSA-N 310.358 -0.574 30 20 DBED C#CCN[C@H]1C[C@H](NC(=O)Cn2ncn(C)c2=O)C12CCC2 1078663230 JUQAUCQKLZTVKR-RYUDHWBXSA-N 303.366 -0.768 30 20 DBED C#CCCCC(=O)N(CC)C1CN(C(=O)Cn2ncnn2)C1 1079683254 LHYACDBJLOJZGZ-UHFFFAOYSA-N 304.354 -0.464 30 20 DBED CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)[C@@H]2COCCN2CC)C1 1080418676 WYFNPOCCAPXXPY-JSGCOSHPSA-N 322.409 -0.074 30 20 DBED C[C@@H](C#N)C(=O)NC1(CO)CCN(C(=O)c2cc[nH]n2)CC1 1080982039 RNOAIKZNBJZRED-JTQLQIEISA-N 305.338 -0.347 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1n[nH]c(C)c1O 1083052708 ZGHCGQQUWUARLL-NWDGAFQWSA-N 304.350 -0.028 30 20 DBED O=C(CN1C[C@H]2[C@@H](C1)OCCN2C(=O)C#CC1CC1)NC1CC1 1083078200 RPDMHAOBKHUYKH-LSDHHAIUSA-N 317.389 -0.410 30 20 DBED Cn1nnc(C(=O)N[C@@H]2[C@@H]3CCCN(CC#N)[C@@H]3C2(C)C)n1 1087299312 SYRCSHUAYKCMGX-AXFHLTTASA-N 303.370 -0.048 30 20 DBED N#Cc1ccc(N2CCCO[C@@H](CNC(=O)C(N)=O)C2)nc1 1089556839 MVLOVICGLJIUCJ-NSHDSACASA-N 303.322 -0.850 30 20 DBED N#CCN1CC[C@H](NC(=O)c2ccnc3[nH]cnc23)[C@@H](O)C1 1090300388 KSFKKWXYEMRYBB-QWRGUYRKSA-N 300.322 -0.354 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2ccnc3ccnn23)[C@H](O)C1 1090324045 ULMVHCJQXZSTFV-TZMCWYRMSA-N 313.361 -0.082 30 20 DBED Cc1cc(N2C[C@@H](O)[C@H](NC(=O)[C@@H](C)C#N)C2)nc(CO)n1 1090391230 GBPGCXUHNRAKAQ-JMJZKYOTSA-N 305.338 -0.897 30 20 DBED CC#CCN1CC[C@H](NC(=O)Cn2ccc(C)cc2=O)[C@@H](O)C1 1090611163 ZIVQUQRMIWIWGU-GJZGRUSLSA-N 317.389 -0.269 30 20 DBED CO[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1NC(=O)[C@H](O)C(C)C 1090882489 ZYHTURNPROFABI-YRGRVCCFSA-N 319.365 -0.315 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CN(c2cc(C)ncc2C#N)C[C@@H]1O 1091063346 QGBIOZSSKJBFKC-OCCSQVGLSA-N 317.349 -0.937 30 20 DBED COCc1cc(N2C[C@H](O)[C@H](NC(=O)[C@H](C)C#N)C2)ncn1 1091082267 BISUGFXMQWHMCJ-JLLWLGSASA-N 305.338 -0.552 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)CC3(O)CCC3)C2)cn1 1091097442 HZBDRPDDDXXCTG-KGLIPLIRSA-N 316.361 -0.076 30 20 DBED CO[C@@H](C(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@@H]1O)C1CC1 1091099997 ZELATKQTYWTXIM-MBNYWOFBSA-N 317.349 -0.561 30 20 DBED CNC(=O)NCC(=O)NC[C@H]1C[C@H](Nc2ccc(C#N)nn2)C1 1091520344 JMRUJHOUGYEIPV-HOMQSWHASA-N 317.353 -0.416 30 20 DBED COCC(=O)NC[C@]1(C)CN(c2nccnc2C#N)CCO1 1092719349 MXXNMXKDCUUERY-CQSZACIVSA-N 305.338 -0.294 30 20 DBED Cc1cc(N2CCO[C@](C)(CNC(=O)C(N)=O)C2)c(C#N)cn1 1092775357 WENVJIZYGOOSSK-OAHLLOKOSA-N 317.349 -0.542 30 20 DBED N#Cc1ccc(N2CC[C@H](NC(=O)CCNC(N)=O)C2)nc1 1096377797 HZXCVYRAJLEAEN-NSHDSACASA-N 302.338 -0.293 30 20 DBED N#Cc1nccnc1N1CC[C@@H](NC(=O)CO[C@@H]2CCOC2)C1 1096439763 NLBFIJMXZGXURI-VXGBXAGGSA-N 317.349 -0.151 30 20 DBED N#Cc1cncc(N2CCCC[C@@H]2CNC(=O)CC(N)=O)n1 1097401670 PDSXKDKDIKMZAI-LLVKDONJSA-N 302.338 -0.301 30 20 DBED C[C@@H](CNC(=O)C[C@H]1CCC(=O)N1)N=c1cc[nH]cc1C#N 1097950677 UCXSPYNWCSNENW-CMPLNLGQSA-N 301.350 -0.040 30 20 DBED N#CCNCc1cn([C@@H]2CCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C2)nn1 1098702748 AAQSJJDWDQZCBO-MQYQWHSLSA-N 316.365 -0.443 30 20 DBED COCCOCC(=O)NCC[C@@H](C)N=c1cc[nH]c(C#N)n1 1098946419 AMGCNEXHWXLYIY-LLVKDONJSA-N 307.354 -0.260 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(Cc2nonc2C)C[C@@H]1O 1099740969 LTAXQWGKJBWHCP-YPMHNXCESA-N 310.354 -0.368 30 20 DBED COCC#CCN1CC[C@H](NC(=O)Cc2ccn(C)n2)[C@@H](O)C1 1099815207 CTJLITCFUZJASD-GJZGRUSLSA-N 320.393 -0.836 30 20 DBED C#CCN1CC[C@@H](NC(=O)COc2c(C)nn(C)c2C)[C@@H](O)C1 1099832897 OHEGHXTWOSUQAT-KGLIPLIRSA-N 320.393 -0.400 30 20 DBED CCc1nc(C#N)cc(N(C)CCNC(=O)CNC(N)=O)n1 1099910722 QBSHIOHGNCNTLO-UHFFFAOYSA-N 305.342 -0.869 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)CCc2ccon2)[C@@H](O)C1 1099923207 BJRORBCVTQQKJA-CABCVRRESA-N 321.377 -0.192 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CNC(=O)C(C)(C)C)[C@@H](O)C1 1100108194 RVWLMRDOVWVOMB-OLZOCXBDSA-N 309.410 -0.277 30 20 DBED Cc1nsc(N(C)CCNC(=O)[C@@H]2CNC(=O)N2)c1C#N 1100308657 LVYLMBPMTMUONX-VIFPVBQESA-N 308.367 -0.443 30 20 DBED COCC#CCNC1CC(CNC(=O)C[C@H]2CCN(C)C2=O)C1 1100433868 DOICUGHCPTWPGH-SHARSMKWSA-N 321.421 -0.011 30 20 DBED CCN(CCNC(=O)[C@H]1COCCN1C)c1ccnc(C#N)n1 1100491861 TXAMWTPCBPXLTJ-GFCCVEGCSA-N 318.381 -0.379 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CC(CNC(=O)Cc2ncc[nH]2)C1 1100791965 ZYTVBZVRCLQNAE-PNESKVBLSA-N 317.393 -0.426 30 20 DBED CCCN(CCNC(=O)[C@@H]1CCNC1=O)c1ccnc(C#N)n1 1101220762 QHYLUVNHOYXGPW-LLVKDONJSA-N 316.365 -0.183 30 20 DBED C=C[C@@](C)(O)CC(=O)N(C)CCNc1ncnc2c1nnn2C 1101586160 SRAAALXWWWQCFV-CQSZACIVSA-N 319.369 -0.044 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)[C@H](C)OCC)C1 1101752137 NJWHPYMBRPGLEQ-HZSPNIEDSA-N 309.410 -0.155 30 20 DBED C=CCN1CC[C@@H](N2C[C@@H](C)[C@H](CNC(=O)CC(N)=O)C2)C1=O 1101838803 UIWRDDUGJSPABQ-JHJVBQTASA-N 322.409 -0.667 30 20 DBED CNC(=O)NCC(=O)N(C)[C@H]1CCN(c2ccnc(C#N)n2)C1 1102767114 RWQOJGOFHBHAMW-JTQLQIEISA-N 317.353 -0.686 30 20 DBED C#CCCNCc1cn(C2CN(C(=O)c3cn(C)nn3)C2)nn1 1105227228 BOLACQKLUJZFFT-UHFFFAOYSA-N 314.353 -0.783 30 20 DBED C=CCNCc1cn(C2CN(C(=O)[C@@]3(C)CCNC3=O)C2)nn1 1105324978 AYHQGAIMIQGXDZ-HNNXBMFYSA-N 318.381 -0.537 30 20 DBED CCO[C@@H](CC)C(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1 1105729739 SWVADPNTXGPJGD-MNOVXSKESA-N 307.354 -0.526 30 20 DBED Cc1nc[nH]c1C(=O)NC[C@H](O)CN=c1cc[nH]cc1C#N 1105888387 RFYMTIPIARKITN-LLVKDONJSA-N 300.322 -0.391 30 20 DBED CCCN(C)CCC(=O)NC[C@@H](O)CN=c1cc[nH]cc1C#N 1105917491 JTZBXQVRMDYXES-AWEZNQCLSA-N 319.409 -0.004 30 20 DBED COCC(C)(C)C(=O)NC[C@@H](O)CN=c1cc[nH]cc1C#N 1106023111 LOIRKLCYXXPLNI-LBPRGKRZSA-N 306.366 -0.063 30 20 DBED N#Cc1cncc(NC[C@H](O)CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)n1 1106110071 FSOTYCFQWLPKKT-LOWDOPEQSA-N 317.349 -0.195 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H](O)CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 1106110647 WKVMFWVSYBJEKP-BHPKHCPMSA-N 316.361 -0.168 30 20 DBED C=CCCC(=O)NCc1cn(C2CN([C@@H](C)C(N)=O)C2)nn1 1107138627 HXIDAXSTQIFKBU-JTQLQIEISA-N 306.370 -0.409 30 20 DBED CO[C@H](C(=O)NCc1cn(C2CN(CC#N)C2)nn1)C(C)C 1107206431 LSKSEPYHDXJZQN-ZDUSSCGKSA-N 306.370 -0.054 30 20 DBED CC(C)N(C)CC(=O)NCc1cn(C2CN(CC#N)C2)nn1 1107238755 OCCMWWCNNAAMBR-UHFFFAOYSA-N 305.386 -0.385 30 20 DBED CC(C)(C(N)=O)C(=O)NC/C=C/CN=c1cc[nH]c(C#N)n1 1107386434 IJHLPKJTQCQUTM-ONEGZZNKSA-N 302.338 -0.634 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)c1cccn2nnnc12 1107955233 XJQGHEFFOMHRQH-SECBINFHSA-N 323.320 -0.562 30 20 DBED CC(C)N1C[C@@H](C(=O)NC[C@@]2(C)CN(CC#N)CCO2)CC1=O 1107983276 IITIBJZBWKODPY-BBRMVZONSA-N 322.409 -0.026 30 20 DBED C[C@@]1(CNC(=O)C(N)=O)CN(Cc2ccc(C#N)cc2)CCO1 1108177258 SABNKLPYVSEBIL-MRXNPFEDSA-N 316.361 -0.249 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)[C@@H](C)OCC3CC3)CC2=O)C1 1108522234 PDGGIRPZNGADEI-OCCSQVGLSA-N 319.405 -0.164 30 20 DBED C[C@@H](CC(=O)N[C@@H](C)CN=c1cc[nH]c(C#N)n1)NC(N)=O 1108528830 SXVLPODZLYDDHM-IUCAKERBSA-N 305.342 -0.866 30 20 DBED C[C@@H](CN(C)c1nccnc1C#N)NC(=O)c1cnnn1C 1108921401 JZEXIBXQQMJQMN-VIFPVBQESA-N 300.326 -0.269 30 20 DBED Cc1ncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCC#N)[nH]1 1109061665 PILAFQCFSWUQII-MDZLAQPJSA-N 316.365 -0.307 30 20 DBED C=CCN1CC[C@H](N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)CC(N)=O)C1=O 1109106582 UVBLOICBEONZJC-VOAKCMCISA-N 320.393 -0.630 30 20 DBED COCCOCC(=O)N[C@H]1[C@H]2C[C@H]1N(c1cncc(C#N)n1)C2 1109694593 BYBWXTBPVYSEAB-NVBFEUDRSA-N 317.349 -0.295 30 20 DBED N#Cc1nc(=NC[C@@H](NC(=O)[C@@H]2COC(=O)N2)C2CC2)cc[nH]1 1109832852 OVKWKBBCVOVCBB-ZJUUUORDSA-N 316.321 -0.815 30 20 DBED N#Cc1cncc(NC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C2CC2)n1 1109960515 QZPPIJZRXSPNIS-MNOVXSKESA-N 315.337 -0.664 30 20 DBED C[C@@H](CC(=O)NCC1(Nc2ccc(C#N)nn2)CC1)NC(N)=O 1110237341 LFPGFEBGJBRKPU-VIFPVBQESA-N 317.353 -0.144 30 20 DBED CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC#N 1110583623 FMUDFFWGSKNUMQ-KKOKHZNYSA-N 314.411 -0.441 30 20 DBED Cc1cc(C#N)nc(N2CC[C@](O)(CNC(=O)[C@H](C)C#N)C2)n1 1111042363 TVEZSERHYDIVGX-BMIGLBTASA-N 314.349 -0.126 30 20 DBED C#CCOCCC(=O)NC[C@]1(O)CCN(c2ncccn2)C1 1111097578 CDXIIWPIBBHWFA-OAHLLOKOSA-N 304.350 -0.426 30 20 DBED CC(=O)N[C@H](C)C(=O)N(CCO)CCNc1cnc(C#N)cn1 1111414104 WFNKJKNOLKIWGH-SNVBAGLBSA-N 320.353 -0.894 30 20 DBED CC(=O)NCC(=O)N(CCO)CCNc1ccc(C#N)nc1 1111421321 FLUGPMHDPZQYEM-UHFFFAOYSA-N 305.338 -0.678 30 20 DBED N#Cc1ccc(NCC[C@@H]2CCN(C(=O)CNC(N)=O)C2)nn1 1111593440 JFTPNLVHGHTSGA-SNVBAGLBSA-N 317.353 -0.333 30 20 DBED N#Cc1nccnc1N1CCC[C@@H](NC(=O)CC(N)=O)CC1 1111977854 NURIYGSUJWKTKA-SNVBAGLBSA-N 302.338 -0.301 30 20 DBED COC(=O)NCC(=O)N1C[C@H](C)[C@@H](N=c2cc[nH]c(C#N)n2)C1 1112297518 CIOXEIJAXBCTFY-UWVGGRQHSA-N 318.337 -0.615 30 20 DBED COC(=O)NCC(=O)N1C[C@@H](C)[C@@H](Nc2ccc(C#N)nn2)C1 1112298266 QYVLDAYNBNTCTK-KOLCDFICSA-N 318.337 -0.037 30 20 DBED C[C@@H]1CN(c2ccc(C#N)cn2)CC[C@H]1NC(=O)CNC(N)=O 1112392941 NQWQKRAFTJIYIH-ZYHUDNBSSA-N 316.365 -0.047 30 20 DBED Cc1nsc(N2CCC(CO)(NC(=O)C(N)=O)CC2)c1C#N 1112673714 ZYJRAFJYBZNEKO-UHFFFAOYSA-N 323.378 -0.744 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)c2cnn(CC)c2)CC1 1112723789 CBRUQIPCLMTISY-ZDUSSCGKSA-N 317.393 -0.201 30 20 DBED C[C@H](C(=O)NC(N)=O)N1CCN(C(=O)C#CC(C)(C)C)CC1 1112834085 BAGOFAAIVRZZAM-LLVKDONJSA-N 308.382 -0.237 30 20 DBED COCC#CCN1CCN(C(=O)C[C@@H]2CCC(=O)NC2)CC1 1112958685 GOUSUHACBADJRL-AWEZNQCLSA-N 307.394 -0.303 30 20 DBED C[C@H](NC(=O)Cn1cnnc1O)[C@H](C)Nc1cncc(C#N)n1 1112980929 JRRPKKQPXLYEHB-IUCAKERBSA-N 316.325 -0.349 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)CC[C@H]3CCCO3)[C@H]2C1 1113910939 MEKLXLCCHJNGAR-WVZRYYJFSA-N 319.405 -0.259 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)c3ccnc(O)c3)[C@@H]2C1 1114139732 UFDCJVZBOAUTRM-VXGBXAGGSA-N 316.361 -0.251 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@@H]2CN(CC[C@@H]3CCCO3)C[C@@H]12 1114159716 KINMHQUYPAMUGN-BFHYXJOUSA-N 319.405 -0.259 30 20 DBED CCOCCNC(=O)CN1C[C@H]2[C@H](NC(=O)C#CC3CC3)[C@H]2C1 1114252757 BSSIBJAAZDDFOH-HALDLXJZSA-N 319.405 -0.401 30 20 DBED C=CCC[C@H](C)N1C[C@H]2[C@H](NC(=O)Cn3ncn(C)c3=O)[C@H]2C1 1114493948 PSUPCNCTKZMHCN-RMRHIDDWSA-N 319.409 -0.017 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3cncn3C)[C@H]2C1 1114523511 CHMNAQMGTDXRET-YABSGUDNSA-N 303.366 -0.618 30 20 DBED C=C(C)CN1C[C@H]2C(NC(=O)CCS(=O)(=O)N(C)C)[C@@H]2C1 1115282156 JRKMQMOUEYMGLD-VXGBXAGGSA-N 315.439 -0.110 30 20 DBED C=CCO[C@H](C)C(=O)NC1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]12 1115332838 QLQUNSNUFZWFKD-IJLUTSLNSA-N 306.366 -0.736 30 20 DBED C=CCNC1(CNC(=O)c2cn(CC(N)=O)nn2)CCCCC1 1120202617 KAUNORCHZDFTIQ-UHFFFAOYSA-N 320.397 -0.028 30 20 DBED Cc1cc(=N[C@H](CO)CNC(=O)CSCC#N)c(C#N)c[nH]1 1121086081 JWHSQYPHEOSABV-LBPRGKRZSA-N 319.390 -0.171 30 20 DBED N#Cc1cnc(N[C@H](CO)CNC(=O)CC2OCCCO2)cn1 1121360418 UYFAOTVRFIYBIW-NSHDSACASA-N 321.337 -0.610 30 20 DBED Cc1cc(C#N)nc(N[C@H](CO)CNC(=O)[C@@]2(F)CCOC2)n1 1122410651 IWKZLMWZAOHWNG-SMDDNHRTSA-N 323.328 -0.326 30 20 DBED C=C(C)CN(CC)C(=O)[C@@H](C)NCCNC(=O)Cn1cnnn1 1123335623 ZDXXLIKYLBBLOF-GFCCVEGCSA-N 323.401 -0.808 30 20 DBED Cc1cc(NC[C@@H](O)CN(C)C(=O)[C@H](C)C#N)n2ncnc2n1 1124191671 OLIMIZYZRXVYRO-MWLCHTKSSA-N 317.353 -0.176 30 20 DBED Cc1ncc(C(=O)N(C)C[C@H](O)CN=c2cc[nH]cc2C#N)[nH]1 1124207445 NZMCYXAXQOKMLD-GFCCVEGCSA-N 314.349 -0.048 30 20 DBED CN(C[C@@H](O)CNc1nccnc1C#N)C(=O)c1csnn1 1124629156 ZTFJAQIYMNGSKJ-QMMMGPOBSA-N 319.350 -0.255 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)[C@@]12COC[C@@H]1C2 1124822466 QRCMZNOTHQFANR-PGUXBMHVSA-N 317.349 -0.962 30 20 DBED N#Cc1cc(C(=O)NCCNCC(=O)NC(=O)NC2CC2)c[nH]1 1125987906 HJOQWLJSPAKDPD-UHFFFAOYSA-N 318.337 -0.806 30 20 DBED COC[C@@H](C)OC[C@H](O)CNCCNC(=O)C#CC(C)C 1126815371 BHADDOVNNWPMRR-ZIAGYGMSSA-N 300.399 -0.236 30 20 DBED N#Cc1nccnc1N1CC=C(CNC(=O)CC(N)=O)CC1 1127632749 HSVMAZMTFAYEOF-UHFFFAOYSA-N 300.322 -0.524 30 20 DBED C#CCO[C@H](C)C(=O)NCc1cnn2c1CN(CCO)CC2 1128362108 BFQJXNBNXGNFOV-GFCCVEGCSA-N 306.366 -0.655 30 20 DBED C#CCN1CC[C@@]2(C1)CN(C(=O)CCNC(N)=O)C[C@H](C)O2 1131697243 IGCLCNMEGCPQAO-SWLSCSKDSA-N 308.382 -0.630 30 20 DBED COC[C@@H](C)C(=O)N1CCC[C@H](N2CCN(CC#N)CC2=O)C1 1131710546 WWMPYGJYYJOUMT-KGLIPLIRSA-N 322.409 -0.072 30 20 DBED CC(C)Oc1cncc(C(=O)NCCNCC(=O)NCC#N)c1 1132351798 ANDZZMIXBZGICI-UHFFFAOYSA-N 319.365 -0.172 30 20 DBED C[C@H]1CC[C@@H](NC(=O)CCn2cc[nH]c(=O)c2=O)CN1CC#N 1132355156 VDEXVQINLFAGSP-NWDGAFQWSA-N 319.365 -0.581 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)c1cc(C(N)=O)co1 1133705331 XLFOYUUNKGZZRE-SECBINFHSA-N 308.338 -0.611 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)[C@H]1CC12CC2 1134324091 UFMVBQCCYPVQLI-GHMZBOCLSA-N 308.382 -0.107 30 20 DBED COCC#CCN1CCCO[C@H](CNC(=O)c2cnon2)C1 1150461503 FURLHVUQAYAINF-GFCCVEGCSA-N 308.338 -0.460 30 20 DBED C=C(C)CN1CCCO[C@H](CNC(=O)CN2C(=O)CNC2=O)C1 1150685154 INQWRXTVABGKLL-GFCCVEGCSA-N 324.381 -0.679 30 20 DBED C#CCN1CCC(CCOC)(NC(=O)[C@H]2COCCN2C)CC1 1151075387 WMQIUQVSKLJAGO-OAHLLOKOSA-N 323.437 -0.063 30 20 DBED C=CCCOCC(=O)NCCNCCNS(=O)(=O)CC 1153091633 WZPZGSTZMVZYTB-UHFFFAOYSA-N 307.416 -0.776 30 20 DBED C=CCO[C@H](C)C(=O)NCCNCC(=O)NC(=O)NC1CC1 1153135218 NXJQBXQPLHXXDW-SNVBAGLBSA-N 312.370 -0.729 30 20 DBED N#Cc1ccc(CNCCNC(=O)C[C@H]2CC(=O)NC2=O)cc1 1153882502 HYNFVGGNXATVQO-ZDUSSCGKSA-N 314.345 -0.183 30 20 DBED C=CCCC(=O)NCCCNCC(=O)N1CCC[C@@H](C(N)=O)C1 1155593550 LDMAQUYTUVTLCH-CYBMUJFWSA-N 324.425 -0.228 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@@H]1CCO[C@@H]1C(C)C 1159607714 QYXOJXNRAQVOBN-UKRRQHHQSA-N 309.410 -0.107 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)c2[nH]c(O)nc2C)C1=O 1160511060 QFTVUCDZSBWDOI-NSHDSACASA-N 321.381 -0.080 30 20 DBED C=C(C)CNCCCNC(=O)c1nc(C)n(-c2nc[nH]n2)n1 1163623241 PZXDLIBIMHJNFU-UHFFFAOYSA-N 304.358 -0.021 30 20 DBED CNS(=O)(=O)CCC(=O)N[C@@H](C)CCCCNCC#N 1170762467 RLVQMMSLWHGNSK-NSHDSACASA-N 304.416 -0.286 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)CCCC(=O)NCC 1171468957 RAHQRCXYCJUVPH-CYBMUJFWSA-N 324.425 -0.473 30 20 DBED C=CCNC(=O)CNCCCC[C@@H](C)NC(=O)c1nnn(C)n1 1174759705 ZYUDYBPBWWXIRF-LLVKDONJSA-N 323.401 -0.610 30 20 DBED C=CCNC(=O)CNCCCNC(=O)c1c(C)nn(C)c1F 1174859892 VNZFRHKPQJZXOC-UHFFFAOYSA-N 311.361 -0.121 30 20 DBED N#CCN1CCO[C@@H]2CCN(C(=O)C(=O)NCC(F)F)C[C@H]21 1177041247 GZHPNVUMZKMUIG-NXEZZACHSA-N 316.308 -0.807 30 20 DBED C=CCOCCNCCCNC(=O)[C@@H](C)CS(C)(=O)=O 1177068822 FEZSBTCPFXLNTF-LBPRGKRZSA-N 306.428 -0.034 30 20 DBED C[C@H]1[C@@H](NCCNS(C)(=O)=O)CCN1C(=O)C#CC1CC1 1178648843 OLLLVXHSBVPSSX-AAEUAGOBSA-N 313.423 -0.472 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 1184877605 VGAOBDQGZJIPBX-BFHYXJOUSA-N 306.410 -0.591 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC[C@H]2CN(CCOCCO)C[C@H]21 1187698197 HTVVNRLKPDPISA-LZWOXQAQSA-N 312.410 -0.145 30 20 DBED CN(CC(=O)NCC#N)[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 1189676177 WSZSHRAXNQVSNV-LBPRGKRZSA-N 314.349 -0.328 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)c2ccc(C)o2)C1 1190794560 DZPFRKJGZROWEA-JHJVBQTASA-N 319.361 -0.499 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)c2cscn2)C1 1191688255 WDVVWMAGNMRJMY-CKYFFXLPSA-N 324.406 -0.391 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)c2cnc3n2CCC3)C1 1193858299 TXLDORWEOLLKRB-TZMCWYRMSA-N 318.377 -0.746 30 20 DBED C=CCOCC(=O)N1CCCN(C[C@@H](O)Cn2cccn2)CC1 1195245976 RAUKNBCSRXXNEE-OAHLLOKOSA-N 322.409 -0.019 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)c2nc(C)c[nH]2)C1 1196789828 FDDHROUFQQZZRH-IJLUTSLNSA-N 321.381 -0.816 30 20 DBED C#CCNC(=O)[C@H](C)N1CCCN(C(=O)c2n[nH]cc2F)CC1 1197068094 BWTKDPRTTUOYBC-NSHDSACASA-N 321.356 -0.165 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)CCC2(C)CC2)C1 1197466248 DTBJSGZFCXYZDO-BFHYXJOUSA-N 321.421 -0.134 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@](C)(NC(C)=O)C2CC2)C1 1197752564 QEBKTAGSLUMGKX-IIAWOOMASA-N 307.394 -0.524 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)[C@H](C)n2cccn2)CC1 1199413860 CRPAWFQQBQJURV-ZDUSSCGKSA-N 317.393 -0.226 30 20 DBED C#CCNC(=O)CC(=O)N1CCC(NCc2cn(C)nn2)CC1 1200170855 MJXKLJYXHZBHQJ-UHFFFAOYSA-N 318.381 -0.965 30 20 DBED C=CCn1cc(C(=O)N2CCCO[C@@H](CNC[C@@H](C)O)C2)nn1 1201586120 XEISCXYTXKNQQG-OLZOCXBDSA-N 323.397 -0.334 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)C(C)(C)NC(=O)NC)CCCO1 1202140964 HTNWGKHMEMFINQ-CYBMUJFWSA-N 324.425 -0.076 30 20 DBED CCOCC(=O)N[C@@H]1C[C@@H](NCC(=O)NCC#N)C12CCC2 1202373261 ZQJFHUNABYQIJP-VXGBXAGGSA-N 308.382 -0.320 30 20 DBED N#CCNC(=O)CNC1CCN(C(=O)CCCCC(N)=O)CC1 1203261049 FWASBDNYPZHPPT-UHFFFAOYSA-N 323.397 -0.748 30 20 DBED Cc1nccc(C(=O)N2CCC(NCC(=O)NCC#N)CC2)n1 1203724758 DJXKQEPPDCGZGB-UHFFFAOYSA-N 316.365 -0.381 30 20 DBED C=CCN1CC[C@@H](N2C[C@@H](NC(=O)CC(=O)NC)[C@H](C)C2)C1=O 1206903198 SFJDWZSPKJBYPV-JHJVBQTASA-N 322.409 -0.654 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(Cc2nnnn2C)C[C@H]1C 1206914811 SBKJLUDXZZMAOM-GYSYKLTISA-N 308.386 -0.526 30 20 DBED CC/C=C(\C)C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1OC 1211964460 NSBQNBSVXKFBKV-PUZDAVHHSA-N 308.382 -0.202 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2ocnc2C)[C@H](OC)C1 1212079146 YSWXINWTGSFCHW-VXGBXAGGSA-N 320.349 -0.839 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2cnc(C)[nH]2)C[C@H]1C 1214326755 DYGWFCCZESKWHY-JTNHKYCSSA-N 317.393 -0.094 30 20 DBED C=CCOCCN[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@H]1C 1214703207 AKARJFMYLXPYCS-DGCLKSJQSA-N 316.423 -0.330 30 20 DBED C=CCCN[C@@H]1CN(C(=O)CC[C@@H]2NC(=O)NC2=O)C[C@H]1C 1216715585 IUDRMEBGQVCYSL-GRYCIOLGSA-N 308.382 -0.013 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CCCn1ccnn1 1218101802 XVXMFVNCNUTBLQ-QWHCGFSZSA-N 304.354 -0.507 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)CCSC)C1 1219167099 HTZGSSFKXQWKAV-UTUOFQBUSA-N 313.423 -0.961 30 20 DBED N#CCSCC(=O)N[C@@H]1CN(CC[C@H]2CCCO2)C[C@@H]1O 1219216623 RHKCGZAYDATCPF-UPJWGTAASA-N 313.423 -0.026 30 20 DBED CC(C)[C@H](C)NC(=O)CN1C[C@H](O)[C@H](NC(=O)C#CC2CC2)C1 1219591478 GXZCFPOLBZDEEI-CFVMTHIKSA-N 321.421 -0.278 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)CCNC(=O)C2CCC2)C1 1220528572 UEWVSIMXANPLHM-KGLIPLIRSA-N 307.394 -0.523 30 20 DBED C=CCNC(=O)CN1CC[C@@H]2CN(C(=O)Cc3ncc[nH]3)[C@@H]2C1 1221891043 QEXJLZALYQOOQC-CHWSQXEVSA-N 317.393 -0.213 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@H]1CCCN(C(=O)CCCC(N)=O)C1 1222117703 OUSJGJCRDPGFTN-OLZOCXBDSA-N 324.425 -0.087 30 20 DBED C=CCCN[C@@H]1CCCC[C@H]1NC(=O)Cn1cnc(C(N)=O)n1 1226334617 XKOWMWGUMRWCCI-VXGBXAGGSA-N 320.397 -0.030 30 20 DBED COCC#CCN1CCC(NC(=O)C(=O)NCC2CC2)CC1 1229795095 BUXPSJCZTOEZOL-UHFFFAOYSA-N 307.394 -0.257 30 20 DBED CO[C@H](C)CC(=O)NCC[C@@H]1CN(CC#N)CCS1(=O)=O 1230437355 ZICHLWGBEVCBBI-VXGBXAGGSA-N 317.411 -0.460 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)CCOCC#C 1234246479 ORKVDKPRFVRMCN-AWEZNQCLSA-N 305.378 -0.692 30 20 DBED C#CCOCCC(=O)N(C)C[C@@H]1CCN1[C@@H]1CCCNC1=O 1234264842 DPIYTOKLOUIEBB-UONOGXRCSA-N 307.394 -0.162 30 20 DBED N#CC1(OCCOC(=O)[C@H]2CCS(=O)(=O)N2)CCOCC1 1263478142 OPMCKDVMGPKCFV-SNVBAGLBSA-N 318.351 -0.689 30 20 DBED C[C@H](CN1CCCC1=O)NC(=O)C(=O)N1CC[C@@](F)(C#N)C1 1321874625 PYRLVZGAXSMHFR-QMTHXVAHSA-N 310.329 -0.422 30 20 DBED C[C@]1(O)CCCN(C(=O)C(=O)NC2CCN(CC#N)CC2)CC1 1322620877 CZCKXMCXRGPGQB-INIZCTEOSA-N 322.409 -0.146 30 20 DBED C=C[C@@H]1CCCCN1C(=O)C(=O)NC[C@@H]1CC[C@H](C(N)=O)O1 1324292032 BTJYJNHKECMPTA-GRYCIOLGSA-N 309.366 -0.297 30 20 DBED C=CCNC(=O)[C@@H](C)S(=O)(=O)c1nnc(CO)n1CCC 1325860169 JJKGTLYTHBPPEB-SECBINFHSA-N 316.383 -0.355 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N[C@H](C)CS(=O)(=O)CC 1326650404 GNMOLZHDNNWAEU-NXEZZACHSA-N 306.384 -0.757 30 20 DBED C=C[C@@H](COC)NC(=O)NCC1(O)CCS(=O)(=O)CC1 1326794734 XXEPTLYCVPTTTB-JTQLQIEISA-N 306.384 -0.574 30 20 DBED C=C[C@H]1CCCCN1C(=O)C(=O)NCc1nnc2n1CCOC2 1327452506 ZAYWKJVPDZRDKX-NSHDSACASA-N 319.365 -0.008 30 20 DBED Cc1cc(NC(=O)C(=O)NCC2(CC(N)=O)CC2)ncc1C#N 1329899850 XTLNTUXRNJEAIP-UHFFFAOYSA-N 315.333 -0.028 30 20 DBED C=CCn1c([C@@H]2CNC(=O)C2)nnc1N1CC(=O)N(C)C[C@H]1C 1338785289 GUBCRSLNSXMUPW-MNOVXSKESA-N 318.381 -0.266 30 20 DBED C#C[C@H](C)N(C)c1nnc(-c2cn(CCO)nn2)n1CCOC 1341750425 BJHCDBDWBHJBJQ-NSHDSACASA-N 319.369 -0.367 30 20 DBED CC(C)n1nccc1NC(=O)C(=O)NCCn1cnc(C#N)n1 1342525354 LPDCERCFPJUXKT-UHFFFAOYSA-N 316.325 -0.318 30 20 DBED N#C[C@@H](C(=O)[C@H]1CCCOC1)C(=O)N1CCS(=O)(=O)CC1 1343333571 DIEVQAXENLVYRK-QWRGUYRKSA-N 314.363 -0.621 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N1CCN(C(C)C)C(=O)C1 1344812462 DJSMOQZTFOFMEB-UHFFFAOYSA-N 303.362 -0.449 30 20 DBED CC[C@H](CC#N)NC(=O)C(=O)Nc1c(C(=O)OC)cnn1C 1347667309 VEPOVVRIXQPMQM-MRVPVSSYSA-N 307.310 -0.046 30 20 DBED N#CC1(NC(=O)CN2CCC(C(=O)NCCO)CC2)CCC1 1352898179 IAZSWWYBOQNYOA-UHFFFAOYSA-N 308.382 -0.631 30 20 DBED CS(=O)(=O)CC1CCN(C(=O)Cn2cnc(C#N)n2)CC1 1362744393 RISGLNSUIMNBHB-UHFFFAOYSA-N 311.367 -0.567 30 20 DBED CS(=O)(=O)c1ccc(NCC(=O)N2CC(O)(CC#N)C2)cc1 1362955815 GJJHMNLSKXZGCC-UHFFFAOYSA-N 323.374 -0.011 30 20 DBED CCC[C@@H](CCO)NC(=O)CCn1cc(C#N)c(O)nc1=O 1363249080 IHRWXOIHWGYUCC-NSHDSACASA-N 308.338 -0.122 30 20 DBED N#C[C@@H]1CN(C(=O)C2=NN(CCO)C(=O)CC2)CCN1C1CC1 1363570932 LDSPVGRNKVWRCD-GFCCVEGCSA-N 319.365 -0.844 30 20 DBED Cn1c(=O)[nH]c(N2CCC(c3nc[nH]n3)CC2)c(C#N)c1=O 1363741289 IFLTXEGHVYUZEF-UHFFFAOYSA-N 301.310 -0.553 30 20 DBED CNC(=O)C[C@@H](C)NS(=O)(=O)N(CCC#N)CCOC 1364003559 FDRSBYOAEBBCGF-SNVBAGLBSA-N 306.388 -0.793 30 20 DBED Cc1c(C#N)c(=O)n(C[C@@H]2CCS(=O)(=O)C2)c(=O)n1C1CC1 1364309340 LYNDOOKAHDYNFT-JTQLQIEISA-N 323.374 -0.040 30 20 DBED N#Cc1ccc(S(=O)(=O)N[C@@H](CO)CN2CCOCC2)o1 1364903693 RQDYSWZJFCDUDK-SNVBAGLBSA-N 315.351 -0.877 30 20 DBED CN(CCNC(=O)c1cc(C#N)c[nH]1)C(=O)c1cnc(O)n1C 1373394944 AKOJCIGTOBISMB-UHFFFAOYSA-N 316.321 -0.173 30 20 DBED CC[C@@H](C(=O)N1CC(NC(=O)[C@H](C)C#N)C1)N1CCCC1=O 1374749789 KPMYZWRVZGXIMY-PWSUYJOCSA-N 306.366 -0.126 30 20 DBED CC(=O)N(C)CC(=O)N1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 1385243891 AJFLWZUPXMNMBU-UHFFFAOYSA-N 317.349 -0.351 30 20 DBED Cc1noc(C)c1CC(=O)NC[C@@H](O)CNC(=O)[C@@H](C)C#N 1392096817 YTLSNRZRYWGLEQ-GZMMTYOYSA-N 308.338 -0.413 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(CCCN2CCCC2=O)C1 1402316623 HYTROKLOJSEHTR-GFCCVEGCSA-N 308.382 -0.679 30 20 DBED CC(C)N(C(=O)CN1CC(O)(CNC(=O)[C@@H](C)C#N)C1)C(C)C 1402326263 WJCYLGVVAMNSLA-ZDUSSCGKSA-N 324.425 -0.046 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(CCNC(=O)C[C@H]2CCCO2)CC1 1407438699 JZZDQCRABVYUGH-UONOGXRCSA-N 322.409 -0.024 30 20 DBED COCCn1cc(C(=O)NC[C@H](C)NC(=O)[C@@H](C)C#N)cn1 1416940657 QRSWBOGXPTZPLI-QWRGUYRKSA-N 307.354 -0.076 30 20 DBED CN(CCNC(=O)CO[C@@H]1CCOC1)c1ccc(C#N)nn1 1418032753 WZUWGKLQPYAPDC-GFCCVEGCSA-N 305.338 -0.294 30 20 DBED C[C@@H](C#N)C(=O)N(C)C[C@@H]1CCCN1C(=O)Cc1nc[nH]n1 1426318855 PCWNAGIHFWBJHP-QWRGUYRKSA-N 304.354 -0.044 30 20 DBED C[C@H](C#N)C(=O)N(C)CCNC(=O)CNC(=O)c1ccccn1 1429304726 VSTOBOAIJMYPJP-LLVKDONJSA-N 317.349 -0.454 30 20 DBED CC(C)[C@H](CNC(=O)CN1CCOCC1)NC(=O)[C@H](C)C#N 1451935967 DQHASPPQVZBOFP-OLZOCXBDSA-N 310.398 -0.265 30 20 DBED N#C[C@@H]1CN(C(=O)Nc2[nH]nnc2C(=O)NC2CC2)CCO1 1467509023 OFHKFXBFLBJVJT-MRVPVSSYSA-N 305.298 -0.547 30 20 DBED CN(CCNC(=O)c1cc(C#N)c[nH]1)C[C@@H]1CCS(=O)(=O)C1 1480853651 YQVKZKJVJVEJBR-NSHDSACASA-N 324.406 -0.017 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNCc1ccnc(N(C)C)c1 1482715455 GVVFSUIXDSVSQA-DGCLKSJQSA-N 305.382 -0.126 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(Cc2cc3n(n2)CCC3)C1 1484264532 PURVMZZNSIOTQX-NSHDSACASA-N 303.366 -0.348 30 20 DBED Cc1nn(CC(=O)NCC[C@@H](C)NC(=O)[C@H](C)C#N)c(=O)n1C 1495646785 LNQGTKITXABXDR-NXEZZACHSA-N 322.369 -0.939 30 20 DBED CCOCC(=O)N1CCN(CCN(C)C(=O)[C@H](C)C#N)CC1 1497856587 FKWNPVCDQICXPC-CYBMUJFWSA-N 310.398 -0.215 30 20 DBED C=CCn1c(C[C@H](C)O)nnc1N1CCN2CCOC[C@@H]2C1 1520350377 PDFZVSOIMYJRRX-STQMWFEESA-N 307.398 -0.092 30 20 DBED C=CCOC[C@H](NC(=O)c1cc(C(=O)OC)nn1C)C(=O)O 1573369548 VWDJZRDRXSTDSK-VIFPVBQESA-N 311.294 -0.408 30 20 DBED N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)[C@@H](N)CO)CC1 1574241401 LRQUROGBRKBTSR-UONOGXRCSA-N 306.341 -0.146 30 20 DBED N#Cc1nc(N)n(Cc2noc3c2COCC3)c1-c1nn[nH]n1 1581878565 REOIPTRBDFPLOK-UHFFFAOYSA-N 313.281 -0.374 30 20 DBED C#C[C@H]1CCCN(C(=O)NCCn2cnc(-c3nn[nH]n3)n2)C1 1588331786 DCHRYMAPHAOMRJ-JTQLQIEISA-N 315.341 -0.487 30 20 DBED C#CCOCCn1c(=O)c(-c2nn[nH]n2)c(C)n(C2CC2)c1=O 1588363398 CWJYEHALQJYALU-UHFFFAOYSA-N 316.321 -0.517 30 20 DBED C#CCN(CC(=O)O)C(=O)c1ccc(OCC(N)=O)c(OC)c1 1588418683 CGICLFAOJVOVGS-UHFFFAOYSA-N 320.301 -0.281 30 20 DBED CC(C)(CCC(=O)O)NC(=O)CCn1cc(C#N)c(O)nc1=O 1588762255 VNGGJIYRJHPLKF-UHFFFAOYSA-N 322.321 -0.030 30 20 DBED C[C@H](C#N)CNC(=O)C(=O)Nc1cnn(C(C)(C)C(=O)O)c1 1589330870 TUIMVHTWGXAIAB-MRVPVSSYSA-N 307.310 -0.083 30 20 DBED Cc1cc(C)n(N=Cc2cnn(C)c2N)c(=O)c1-c1nn[nH]n1 1591957012 OGCZYIOMUJBHEA-UHFFFAOYSA-N 313.325 -0.157 30 20 DBED N#CC[C@@H](O)CN1CCC[C@H](NC(=O)C(F)(F)F)[C@H]1C(=O)O 1594611535 SQBNAMBVWJXHJJ-VGMNWLOBSA-N 323.271 -0.143 30 20 DBED Cn1cc(C2=NO[C@H](C(=O)N(CC#N)CCC(=O)O)C2)cn1 1600943999 GAHUXCOPHURNQM-NSHDSACASA-N 305.294 -0.260 30 20 DBED N#CCN1CCC(OC(=O)CN2CCC[C@@H](C(=O)O)C2=O)CC1 1601074727 OHAIMSCFFRXTJU-GFCCVEGCSA-N 323.349 -0.159 30 20 DBED C#C[C@H](NS(=O)(=O)c1n[nH]cc1C(=O)O)C1CCOCC1 1602678159 JZPKUVHGOPAAHB-JTQLQIEISA-N 313.335 -0.185 30 20 DBED C=CCCOCC(=O)NCCNc1nccnc1-c1nn[nH]n1 1602843853 ANJAZHDEOUDDJG-UHFFFAOYSA-N 318.341 -0.223 30 20 DBED C=CCCOCCNC(=O)C(=O)N1CCO[C@@H](CC(=O)O)C1 1602880887 KHQUHRLZZZOXNY-NSHDSACASA-N 314.338 -0.603 30 20 DBED N#CCCN1CCN(S(=O)(=O)c2cccnc2C(=O)O)CC1 1608183875 HXMGQOGLDUVSQT-UHFFFAOYSA-N 324.362 0.000 30 20 DBED N#Cc1ccc(C(=O)N2CC(CNC(=O)[C@@H]3C[C@H]3C(=O)O)C2)[nH]1 1608198898 IROVJAPSOPKTBZ-GHMZBOCLSA-N 316.317 -0.205 30 20 DBED C[C@@H]1[C@H](C(=O)O)CCN1C(=O)C(=O)Nc1cnn(CC#N)c1 1609838126 XRVWOBXAEPJCHL-PSASIEDQSA-N 305.294 -0.333 30 20 DBED Cn1c(=O)ccn(CC(=O)OCc2ccc(C#N)cn2)c1=O 1645725645 YMZJSXXXRQQCFS-UHFFFAOYSA-N 300.274 -0.443 30 20 DBED C#CCNC(=O)CNC[C@H]1CCN(C(=O)c2ncccn2)C1 1752953065 BKJRNOULUBEAMT-GFCCVEGCSA-N 301.350 -0.722 30 20 DBED CN(CCNC(=O)C1(c2ccccn2)CC1)CC(=O)NCC#N 1753049704 NMXMXHCWGIEJQU-UHFFFAOYSA-N 315.377 -0.199 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2CCN(CC(=O)NCC)C2)nn1 1753135488 LSJPXYFFGRSXEY-GFCCVEGCSA-N 320.397 -0.348 30 20 DBED CCN(C(=O)[C@H]1C[C@H]1C(N)=O)[C@@H]1CCN(CC#CCOC)C1 1753458462 DZHIGTPSNDNZRN-MCIONIFRSA-N 307.394 -0.320 30 20 DBED C#CCNCC1(NC(=O)CCn2cc[nH]c(=O)c2=O)CCCC1 1753508866 VAWGWYQASZUJJP-UHFFFAOYSA-N 318.377 -0.422 30 20 DBED CNS(=O)(=O)CC(=O)N1CCC(CCNCC#N)CC1 1753575037 IODYCOHKOMJHSC-UHFFFAOYSA-N 302.400 -0.723 30 20 DBED CCn1cnc(C(=O)N[C@@H]2[C@H]3C[C@H]2N(CC(=O)NCC#N)C3)c1 1754430932 WXFCUTJTEMPVRV-ZKYQVNSYSA-N 316.365 -0.655 30 20 DBED C=CCNC(=O)CN1C[C@H]2C[C@H]1[C@H]2NC(=O)Cn1ccnc1C 1754431568 OWOGLXZQRFWOTF-WWGRRREGSA-N 317.393 -0.317 30 20 DBED C=CCNC(=O)CNC[C@H](NC(=O)c1cnn(C)c1)C1CC1 1754437882 YQALGMOHCPWCFW-ZDUSSCGKSA-N 305.382 -0.180 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@@H](NC(=O)c1ncc[nH]1)C1CC1 1754440761 ZVCHSYVDABDOHZ-ZYHUDNBSSA-N 303.366 -0.354 30 20 DBED COCC#CCN1CC[C@@H]1CNC(=O)[C@@H](C)N1C(=O)CCC1=O 1754484769 HQTXRAIPSOLSPY-CHWSQXEVSA-N 321.377 -0.636 30 20 DBED C=CCCCN1CC(N(C)C(=O)CN2C(=O)CN(C)C2=O)C1 1754586166 GDEAVDMDVYBNBQ-UHFFFAOYSA-N 308.382 -0.011 30 20 DBED COCC#CCN1CCOC[C@H]1CNC(=O)c1ccc(C)nn1 1754967784 PJTFNUSXROHLAA-CQSZACIVSA-N 318.377 -0.135 30 20 DBED C=CCN1CC2(CC[C@H](CNC(=O)C(=O)NCC(F)F)O2)C1 1755053794 AXRYUEVTDYJCMP-SNVBAGLBSA-N 317.336 -0.097 30 20 DBED C=CCN1CC[C@H](N2CC([C@@H](C)NC(=O)CNC(C)=O)C2)C1=O 1755371876 WSKFSDCQWRYNTI-RISCZKNCSA-N 322.409 -0.654 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(CNC(=O)c3cccnn3)[C@@H]2C1 1755429089 APHSDXQVYPVFPW-STQMWFEESA-N 315.377 -0.314 30 20 DBED C#CCN[C@@H](C)[C@H]1CN(C(=O)c2ccn3nnnc3c2)CCO1 1755446148 RRMXVJFIQKHDNG-WCQYABFASA-N 314.349 -0.423 30 20 DBED COCC#CCN(C)C1CCN(C(=O)CCNC(N)=O)CC1 1755536464 VBPPZRPLCGHGKI-UHFFFAOYSA-N 310.398 -0.383 30 20 DBED CC(C)[C@@H](CCNC(=O)c1ncn(C)n1)NCC(=O)NCC#N 1755549297 JCZFRGWUSVSYKP-LLVKDONJSA-N 321.385 -0.811 30 20 DBED C#CCNC(=O)CN[C@@H](CO)CNC(=O)c1ccc(F)c(C)c1 1755636409 HFRMMORYSKYQMZ-CYBMUJFWSA-N 321.352 -0.436 30 20 DBED Cc1cc(C(=O)N2C[C@H](NCC(=O)NCC#N)C[C@H]2C)cnn1 1755676376 VBIRSVSOMRMQDC-DGCLKSJQSA-N 316.365 -0.383 30 20 DBED C#CCOCCC(=O)N[C@H]1CCCN(Cc2nnnn2C)[C@@H]1C 1755719420 YVDXUZKELYOWAE-OLZOCXBDSA-N 320.397 -0.281 30 20 DBED NC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@H]1N(C(=O)C#CC1CC1)C2 1757046415 ASVVXOXOTDYPBD-FRRDWIJNSA-N 303.362 -0.229 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(C(=O)CNC(=O)CC)C[C@@H]1O 1757168957 KBLHGXYSFXJYBF-NEPJUHHUSA-N 309.366 -0.996 30 20 DBED Cn1nc(C(=O)O)cc1C=NNc1nc(O)c2cnn(C)c2n1 1776043896 KUEXIJRNNSEHTI-UHFFFAOYSA-N 316.281 -0.053 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)N(C)C(C)=O)CCO2 1783048711 HBGXSKYDMXRIKD-WBMJQRKESA-N 321.377 -0.684 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(F)c[nH]1 1800817167 SDONFESLBZDSGM-WDAIWFPHSA-N 305.309 -0.010 30 20 DBED C=CC[C@H](NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)C(=O)O 150101168 PTEQXDDEVLMDNK-UWVGGRQHSA-N 304.368 -0.197 30 20 DBED C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@@H](O)C2)c1 174573273 ZHGSJSRIJXNCSM-GFCCVEGCSA-N 308.359 -0.195 30 20 DBED C#CCOCCC(=O)NS(=O)(=O)c1cnn(CC(F)F)c1 189806778 JDJJTVPMOXTJCG-UHFFFAOYSA-N 321.305 -0.007 30 20 DBED CNC(=O)CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 268745016 UNIINBFPNOWOCV-VIFPVBQESA-N 324.362 -0.913 30 20 DBED CC#CCNC(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1 270765277 PRFIIIHQKMVQIW-AWEZNQCLSA-N 307.394 -0.161 30 20 DBED C=CCS(=O)(=O)CCNS(=O)(=O)c1c(C)nn(C)c1C 272866660 RQMWOGDRDPOWPW-UHFFFAOYSA-N 321.424 -0.084 30 20 DBED C=CCOc1cccc(NC(=O)C(=O)N2C[C@H](O)[C@H](O)C2)c1 277513286 LBKVPUNQJBTRMG-BETUJISGSA-N 306.318 -0.246 30 20 DBED COC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1cc(C#N)oc1C 280623074 RXBZZLXFMGEELQ-LLVKDONJSA-N 305.290 -0.037 30 20 DBED CCN1CCC[C@H]1CN/C(N)=N/CCOCCS(C)(=O)=O 304805942 RRWZLGCDTKREOR-LBPRGKRZSA-N 320.459 -0.564 30 20 DBED CCN(CC)CC(=O)N1CCN(C(=O)CN/C(O)=N/C)CC1 330498683 CKIGSMQEKAEACO-UHFFFAOYSA-N 313.402 -0.868 30 20 DBED COc1ccc(C(=O)N(C)C)cc1N=C(O)N1C[C@H](O)[C@@H](O)C1 331204119 CKVVSHWWSAQGAG-RYUDHWBXSA-N 323.349 -0.020 30 20 DBED C[C@H](CNS(=O)(=O)N1CCO[C@H](C#N)C1)CN1CCCC1 336929012 XXPNCCSEGIVQOE-CHWSQXEVSA-N 316.427 -0.223 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N2CCOCC23CCC3)CCO1 336946319 OFQJFTAUUGZBQS-LLVKDONJSA-N 301.368 -0.290 30 20 DBED CN(C)CCN1C[C@H](C(=O)N2CCSC[C@@H]2C#N)CC1=O 342206231 ADJJXGSDCBITJS-NEPJUHHUSA-N 310.423 -0.136 30 20 DBED C=CC[C@@H](CO)NC(=O)N[C@@H]1CCN(CCC(=O)OC)C1=O 346341933 VCOJGHVQJAAGAP-WDEREUQCSA-N 313.354 -0.613 30 20 DBED C[C@@H](C#N)S(=O)(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 352408502 VIZZEIRCPXPHDC-QWRGUYRKSA-N 301.368 -0.449 30 20 DBED COC(=O)c1ccc(S(=O)(=O)NCC(=O)NCC#N)s1 352539386 YGGAEOVWAJGHPB-UHFFFAOYSA-N 317.348 -0.547 30 20 DBED COCCN(CCC#N)S(=O)(=O)N(C[C@H](O)CO)C(C)C 420773127 WJAHYSSQIDBYQP-LBPRGKRZSA-N 323.415 -0.843 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2C[C@H](C)NC[C@H]2C)nn1 424547069 OEVCHTQPTIVFFK-WDEREUQCSA-N 306.370 -0.711 30 20 DBED C=CCn1cc(CNC(=O)N[C@@H]2CCN(CCOC)C2)nn1 425449311 JIZYLVKQIVWVDO-GFCCVEGCSA-N 308.386 -0.016 30 20 DBED C=CCN(C(=O)C[C@H]1CNCCO1)[C@H]1CCS(=O)(=O)C1 430282149 DUZZVPSMUAYHER-RYUDHWBXSA-N 302.396 -0.433 30 20 DBED CN(C)C[C@@H](O)CNC(=O)C(=O)Nc1ccc(C#N)cc1F 433532622 HCTOQLGAUDZIBG-JTQLQIEISA-N 308.313 -0.325 30 20 DBED N#Cc1ccc(CNC(=O)NCCN2CCNC(=O)C2)cc1F 455546906 RQZPHIMHGNTSGX-UHFFFAOYSA-N 319.340 -0.072 30 20 DBED C#CCN(CC)C(=O)C(=O)Nc1cnn(CC(=O)OC)c1C 491315177 LHIXEJXWYBQYNG-UHFFFAOYSA-N 306.322 -0.215 30 20 DBED CC(C)NC(=O)[C@@H](C#N)C(=O)[C@H]1CCCN(S(C)(=O)=O)C1 528918652 KFBRHJRDFJKFEY-QWRGUYRKSA-N 315.395 -0.109 30 20 DBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(C)C(=O)C1 570695362 SPNXOYISSWJFKS-AAEUAGOBSA-N 309.366 -0.616 30 20 DBED COC(=O)[C@@H]1C[C@H](O)CN(S(=O)(=O)N(C)C[C@H](C)C#N)C1 592120563 YWCNKXFUSZBLLA-MXWKQRLJSA-N 319.383 -0.822 30 20 DBED C[C@H]1COCCCN1C(=O)C(=O)N1CCN(CCC#N)CC1 601462538 CUNZDGHUKPSUBY-ZDUSSCGKSA-N 308.382 -0.318 30 20 DBED CC[C@H]1CN(C(=O)C(=O)N2CCN(CCC#N)CC2)CC[C@H]1N 601582754 NCAMLBIBTIKPDB-UONOGXRCSA-N 321.425 -0.370 30 20 DBED C=CCCCS(=O)(=O)N1CCN(CC(=O)N(C)C)CC1 644161430 XSCHBBZEFQPQPQ-UHFFFAOYSA-N 303.428 -0.012 30 20 DBED CS(=O)(=O)N1CCC[C@H](NC(=O)[C@H](N)CCCC#N)C1 691561333 QQOAVVVOIYIUHX-WDEREUQCSA-N 302.400 -0.452 30 20 DBED N#CCCCCS(=O)(=O)N1CCNC(=O)[C@@H]1CC(=O)O 739069243 OEYYBLOHUQPPNU-VIFPVBQESA-N 303.340 -0.715 30 20 DBED N#CCN(CC(=O)O)C(=O)CN1C(=O)NC2(CCCC2)C1=O 739077537 PTNFOKYHGWRILY-UHFFFAOYSA-N 308.294 -0.712 30 20 DBED COc1cccc(C#CCOC(=O)c2cn(CC(N)=O)nn2)c1 749036808 ORZMNOBYDVARRS-UHFFFAOYSA-N 314.301 -0.020 30 20 DBED Cn1cc(C(=O)NC2(C#N)CCSCC2)c(=O)n(C)c1=O 756026261 SNBFSEDIYCJQAS-UHFFFAOYSA-N 308.363 -0.397 30 20 DBED COC[C@H](C#N)OC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C 785228482 NPYGPHYXKZIJAW-QMMMGPOBSA-N 320.305 -0.729 30 20 DBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1cn(C)c(=O)n(C)c1=O 798039137 RHLAIZXWFXPXGX-JQWIXIFHSA-N 307.350 -0.205 30 20 DBED CCCc1nnc(SCC(=O)N2CC[C@](O)(CC#N)C2)n1N 844019501 RTOXKQQQNGRSLL-CYBMUJFWSA-N 324.410 -0.086 30 20 DBED C#C[C@H](NC(=O)C(=O)NCCN1CCCC1=O)[C@H]1CCCO1 846737702 MBJCYIPUDNVQDY-NWDGAFQWSA-N 307.350 -0.978 30 20 DBED C#C[C@H](NC(=O)C(=O)NCc1cnnn1CC)[C@H]1CCCO1 875324603 MDSJCLYGAOFWIM-NWDGAFQWSA-N 305.338 -0.789 30 20 DBED Cn1c(=O)c2cc(C(=O)NC(C)(C)C#N)n(C)c2n(C)c1=O 919746611 OTDDTHVULXASDO-UHFFFAOYSA-N 303.322 -0.392 30 20 DBED CN(C)S(=O)(=O)CCS(=O)(=O)N1CCC[C@@H](C#N)C1 921359146 ARFVXFJYXRIPKF-JTQLQIEISA-N 309.413 -0.557 30 20 DBED N#CCNC(=O)CNC(=O)NCCN1CCc2ccccc21 922468138 OFBUSCXPCFARIX-UHFFFAOYSA-N 301.350 -0.012 30 20 DBED O=C1CC[C@H](C(=O)N[C@H]2CCN(C(=O)C#CC3CC3)C2)CN1 938233885 YVDMYUJOWZFLHF-STQMWFEESA-N 303.362 -0.357 30 20 DBED C[C@@H](C#N)C(=O)N1CCCN(C(=O)C[C@H]2CCNC2=O)CC1 941287136 ASDPAADTLKDISN-NWDGAFQWSA-N 306.366 -0.267 30 20 DBED C[C@@H](C#N)C(=O)N1CCCN(C(=O)[C@@]2(C)CCNC2=O)CC1 942152999 MEOLQPGZYOHXTC-NHYWBVRUSA-N 306.366 -0.267 30 20 DBED Cn1cc(C(=O)NC[C@H]2CN(C(=O)C#CC3CC3)CCO2)nn1 944581789 IRJKCWHDMKCNIP-LBPRGKRZSA-N 317.349 -0.814 30 20 DBED Cc1ccc(C(=O)NC[C@@H]2CN(C(=O)[C@H](C)C#N)CCO2)nn1 944588681 GRGPAGGWNXGXFR-ZYHUDNBSSA-N 317.349 -0.098 30 20 DBED N#Cc1cc(C(=O)N2CC[C@@H]2CNC(=O)[C@H]2CCC(=O)N2)c[nH]1 949116935 VWWZDUJEMKZGCC-VXGBXAGGSA-N 315.333 -0.504 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2CCN2C(=O)c2cnn(C)n2)nc1 951378281 RLGYQEYRETZXLT-LBPRGKRZSA-N 324.344 -0.164 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cn(CCOC)nc2C)C1 958064107 RVGDBIDCSDCBAA-DZGCQCFKSA-N 320.393 -0.506 30 20 DBED C#CCCN1C[C@@H](O)[C@H](CNC(=O)c2cnc3cccnn23)C1 958466828 BFCTWUBICCVSDX-TZMCWYRMSA-N 313.361 -0.225 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2ccc(N(C)C)nn2)C1 958599576 REQYVTORIGUUPY-WCQYABFASA-N 303.366 -0.802 30 20 DBED C=CCN1C[C@H](O)[C@H](CNC(=O)c2cc(C(N)=O)ccn2)C1 958770333 OKQXKZFRDNCORB-YPMHNXCESA-N 304.350 -0.611 30 20 DBED Cc1ccc(C(=O)NC[C@@H]2COCCN2C(=O)[C@H](C)C#N)nn1 964180915 LZQBFNAKXWCQNL-ZYHUDNBSSA-N 317.349 -0.098 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(C1)CN(C(=O)[C@H]1CCCN1C)CCO2 965329710 BWJJVADQMLXSGM-QWHCGFSZSA-N 320.393 -0.320 30 20 DBED CCn1nnc(C)c1C(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1O 965782223 SFWXBXXXYKQOAL-GDPRMGEGSA-N 320.353 -0.932 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](C)[C@@H](NC(=O)Cn2cnnn2)C1 966660594 GAJCOJTYEBIDGF-QWRGUYRKSA-N 306.370 -0.152 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C2CN(C(=O)[C@@H]3CCOC3)C2)CC1 967245256 SLKXSEBIKOPVQU-CHWSQXEVSA-N 320.393 -0.462 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)[C@H]3CC(=O)N(C)C3)C2)C1 972406217 DQOMNXPXTAQNNK-BBRMVZONSA-N 305.378 -0.599 30 20 DBED Cn1cc(CCC(=O)N2CC[C@@]3(CN(CC#N)CCO3)C2)nn1 972705476 YTJPXBZFXQDYCG-OAHLLOKOSA-N 318.381 -0.425 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2ncc[nH]2)C1 974100773 TXYHBXLXBXNLHG-XQQFMLRXSA-N 315.377 -0.116 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)c3nccnc3N)[C@H]2C1 976287450 CFNAHWISYOZWIE-IMSYWVGJSA-N 300.322 -0.595 30 20 DBED CN1CC[C@@H](C(=O)N[C@H]2[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]32)C1 976535942 LEFFYBKWPIQJBP-NYTXWWLZSA-N 301.390 -0.076 30 20 DBED N#Cc1cc(C(=O)N[C@H]2C[C@@H](CNC(=O)c3cnn[nH]3)C2)c[nH]1 979010770 BSELONWVCKCXKT-WAAGHKOSSA-N 313.321 -0.057 30 20 DBED CC#CCN1C[C@H]2[C@H](CNC(=O)[C@H]3CCCS3(=O)=O)[C@H]2C1 979070014 GRXCGWDLRQBLQK-YIYPIFLZSA-N 310.419 -0.119 30 20 DBED Cn1nncc1C(=O)NC[C@H]1CCN(C(=O)C#CC2CC2)C1 982742556 PYEYQTUNJVHGNR-GFCCVEGCSA-N 301.350 -0.193 30 20 DBED C[C@@H]1[C@@H](NCc2nnn(C)n2)CCN1C(=O)c1ccc(C#N)[nH]1 986186733 QYTWKMBHYQZJLK-KOLCDFICSA-N 314.353 -0.197 30 20 DBED C#CCN[C@H]1CCN(C(=O)Cn2nc3n(c2=O)CCCC3)[C@H]1C 987314629 VXSDFLQJIDROEJ-STQMWFEESA-N 317.393 -0.407 30 20 DBED C=CCN1CC[C@]2(NC(=O)C[C@@H]3NC(=O)NC3=O)CCC[C@H]12 991101141 UCIFXDMLIPLYIM-ZIBATOQPSA-N 306.366 -0.116 30 20 DBED C=CCn1cccc1C(=O)NCC1CC(NC(=O)C(N)=O)C1 992191071 RICRLHUQUACCPG-UHFFFAOYSA-N 304.350 -0.216 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@H](C)N2C(=O)CCC2=O)CC1(C)C 995883531 UKTDVGDQVLQPFC-NWDGAFQWSA-N 305.378 -0.016 30 20 DBED N#CCN1CCC(NC(=O)CN2CCCCS2(=O)=O)CC1 1003318099 GAMQAPWGRBJGGR-UHFFFAOYSA-N 314.411 -0.484 30 20 DBED C#CCCN1CCC(NC(=O)C2CC3(C2)NC(=O)NC3=O)CC1 1003781421 FERZDYAICPFNNW-UHFFFAOYSA-N 318.377 -0.422 30 20 DBED C=CCn1cccc1C(=O)N[C@@H](C)C1CN(C(=O)C(N)=O)C1 1006280142 RWHBNWSTLUATQM-JTQLQIEISA-N 304.350 -0.264 30 20 DBED C=CCn1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[C@@H]3C)C2)nn1 1025118048 HNCRMZWEKHUFCB-MEWQQHAOSA-N 319.365 -0.578 30 20 DBED CC#CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CN(C(C)=O)CCO1 1032760801 RLRKZBPPOUYKBK-KKUMJFAQSA-N 305.378 -0.458 30 20 DBED Cc1nc(C(=O)N(C)[C@H]2CCN(CC#N)C2)nn1-c1nc[nH]n1 1033311186 BNIZVRIRUBISEP-JTQLQIEISA-N 315.341 -0.636 30 20 DBED CC(=O)N1CCO[C@@H](C(=O)N[C@@H]2CCCCN(CC#N)C2)C1 1034509559 YNAQEIHUNYESOQ-ZIAGYGMSSA-N 308.382 -0.272 30 20 DBED C#CCCN1CCO[C@H](CNC(=O)c2cn3c(n2)COCC3)C1 1035421884 XHJAKVIVCXSCRZ-CYBMUJFWSA-N 318.377 -0.133 30 20 DBED C#CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)C1CC2(C1)CS(=O)(=O)C2 1037460755 JIOITERULCCZMG-KGYLQXTDSA-N 308.403 -0.367 30 20 DBED C=CCN1CC[C@@H](N2CC[C@@H]2CNC(=O)c2nonc2C)C1=O 1039083476 XWESMYMAMLIGIF-VXGBXAGGSA-N 319.365 -0.031 30 20 DBED COC[C@H](OC)C(=O)N1CC[C@@](O)(CNC(=O)C#CC2CC2)C1 1039680408 FNZDGXUBIMWHJQ-XJKSGUPXSA-N 324.377 -0.859 30 20 DBED C#CCCCC(=O)N1CC[C@@](O)(CNC(=O)[C@@]23COC[C@@H]2C3)C1 1040063213 BXUDUNUTUFYONO-XKQJLSEDSA-N 320.389 -0.094 30 20 DBED C=CCO[C@H](C)C(=O)NC[C@@]1(O)CCN(C(=O)C(F)F)C1 1040160281 CNHMKSQOUQRMBU-RNCFNFMXSA-N 306.309 -0.078 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)c2cc(C)no2)C1 1041433289 PHGMJVASLFCPCP-UHFFFAOYSA-N 309.322 -0.511 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)c2ccc(=O)n(C)n2)C1 1041963582 UFVHKFQEVWVZFI-UHFFFAOYSA-N 320.349 -0.950 30 20 DBED CC#CCN1CC[C@@H]2CCN(C(=O)C3CS(=O)(=O)C3)C[C@@H]21 1042079010 ZVAPJBUBMZHUNY-OCCSQVGLSA-N 310.419 -0.023 30 20 DBED CCc1nc(C#N)cc(N2C[C@@H](NC(=O)C(N)=O)[C@H](C)C2)n1 1042456982 SVWDIHNFWYAIGE-PSASIEDQSA-N 302.338 -0.663 30 20 DBED CC(C)OCCC(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042959302 WAHAKCCGLMRQLX-UHFFFAOYSA-N 308.378 -0.096 30 20 DBED O=C(C#CC1CC1)NCC1(O)CN(C(=O)Cc2cnc[nH]2)C1 1042963869 XMFZGKXODVLRIT-UHFFFAOYSA-N 302.334 -0.945 30 20 DBED CC(C)(C)C#CC(=O)NCC1(O)CN(C(=O)C2=COCCO2)C1 1042965193 WZUCNQNPZZZAQJ-UHFFFAOYSA-N 322.361 -0.386 30 20 DBED O=C(NCC1(O)CN(C(=O)C#CC2CC2)C1)[C@@H](F)C(F)(F)F 1043375517 LXCSURGYUCWWBM-SNVBAGLBSA-N 322.258 -0.010 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)c3cncnc3)C2)cn1 1043918755 STMPQQRMNMQUMO-KGLIPLIRSA-N 310.317 -0.277 30 20 DBED N#Cc1nccc(N2C[C@H](O)[C@H](NC(=O)c3ccns3)C2)n1 1044230404 NJNAIAWPGUNAGS-BDAKNGLRSA-N 316.346 -0.216 30 20 DBED Cc1c[nH]c(C(=O)N[C@@H]2CN(c3ccc(C#N)nn3)C[C@@H]2O)n1 1044633306 GJOPMMRDTJBOAP-MNOVXSKESA-N 313.321 -0.641 30 20 DBED COCC1(CC(=O)N2CC(O)(CNC(=O)[C@H](C)C#N)C2)CC1 1045541328 UATTUAAKGKGTOF-LLVKDONJSA-N 309.366 -0.348 30 20 DBED CCn1nnc(C)c1C(=O)N1CC(O)(CNC(=O)[C@@H](C)C#N)C1 1045551653 KOCDSYOSQWVJPH-VIFPVBQESA-N 320.353 -0.931 30 20 DBED C=C1CC(C)(C(=O)NCC2(O)CN(C(=O)[C@H](C)CC(N)=O)C2)C1 1046311632 IMCFZXKFGHJUAL-LLVKDONJSA-N 323.393 -0.456 30 20 DBED N#CCN1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCNC2=O)C1 1046961723 ACNNAPOQUODOTL-ZJUUUORDSA-N 300.309 -0.281 30 20 DBED CNC(=O)CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)C#N)C1 1049387913 CWBDMDOQGAYRRM-SRVKXCTJSA-N 324.381 -0.908 30 20 DBED N#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)CC[C@@H]1NC(=O)NC1=O 1049882770 DYOHQQPRMHIJDH-QJPTWQEYSA-N 319.365 -0.437 30 20 DBED C=CCOCC(=O)N1CC[C@@H]([C@H](C)NC(=O)Cn2ncnn2)C1 1050298580 WJRHELOZDQYIAL-NWDGAFQWSA-N 322.369 -0.771 30 20 DBED CC#CCN1CCOC[C@@H]1CNC(=O)c1ccnn1CCOC 1050973667 HTOKNRWZHJWUMW-AWEZNQCLSA-N 320.393 -0.017 30 20 DBED C#CCN1CCN([C@@H]2CCN(C(=O)Cc3ccn(C)n3)C2)CC1 1052025521 GKVOIYXNTQGCOR-MRXNPFEDSA-N 315.421 -0.186 30 20 DBED N#Cc1ccc(NC2CC(CNC(=O)[C@@H]3CCNC3=O)C2)nn1 1052047118 QZHKSAZHTHNRHN-QEWOUOOISA-N 314.349 -0.209 30 20 DBED CC#CCN1CCN([C@H]2CCN(C(=O)c3cnn[nH]3)C2)CC1 1052047947 GDNCTCHVIHLVBH-ZDUSSCGKSA-N 302.382 -0.340 30 20 DBED C#CCN1CCN([C@@H]2CCN(C(=O)c3cn(CC)nn3)C2)CC1 1052103925 VZJMBOWLZXXOFR-CQSZACIVSA-N 316.409 -0.237 30 20 DBED C#CCN1CC2(C1)CN(C(=O)c1c[nH]c(C)cc1=O)CCO2 1053495681 AMPJJEDFBLBSIM-UHFFFAOYSA-N 301.346 -0.157 30 20 DBED CC(=O)N1CCN(c2ccnc(C#N)n2)[C@H]2CS(=O)(=O)C[C@H]21 1054766144 DODBRCLJERBXJM-MNOVXSKESA-N 321.362 -0.818 30 20 DBED CN1C[C@H](C(=O)N2CCN(c3ccc(C#N)nn3)CC2)NC1=O 1055974848 QFPGXQQHSPUOHH-LLVKDONJSA-N 315.337 -0.980 30 20 DBED Cc1cc(C#N)nc(N2CCN(C(=O)C3(C(N)=O)CC3)CC2)n1 1055998480 IBEZJRTXELFFFK-UHFFFAOYSA-N 314.349 -0.429 30 20 DBED Cn1ncc(C(=O)NC2[C@H]3CN(c4cnc(C#N)cn4)C[C@H]23)n1 1056257916 VFORGESDTYACKG-UWVGGRQHSA-N 310.321 -0.659 30 20 DBED N#Cc1ccc(N2C[C@H]3C(NC(=O)[C@@H]4CCC(=O)N4)[C@@H]3C2)nc1 1056263699 QWWWRESGWVRQJV-UTUOFQBUSA-N 311.345 -0.217 30 20 DBED N#CCSCC(=O)N1CC[C@H]2[C@@H]1CCCN2C(=O)CC(N)=O 1056326163 YALUKKCBWSIQCL-QWRGUYRKSA-N 324.406 -0.290 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC[C@H]2CN(C(=O)CC(N)=O)C[C@H]21 1056667467 IQFNPWXHTPGTNJ-RWMBFGLXSA-N 321.377 -0.651 30 20 DBED N#Cc1ccc(C(=O)NCCN(CCO)C(=O)C(F)F)[nH]1 1056745574 NGKIAOQOZAELKG-UHFFFAOYSA-N 300.265 -0.298 30 20 DBED CN(c1ncccc1C#N)[C@H]1CCN(C(=O)Cn2cnnn2)C1 1056849272 APDXRIYLMINHLQ-LBPRGKRZSA-N 312.337 -0.323 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](N(C)c2ccc3nnnn3n2)C1 1056871404 KFOMOGJUEIRQKY-VHSXEESVSA-N 300.326 -0.284 30 20 DBED C#CCNC(=O)CC(=O)NCCN(CCO)C(=O)[C@@H](C)CC 1057017036 OORQJZHJPHLZQK-LBPRGKRZSA-N 311.382 -0.891 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)c1nccn1CC 1057194130 YMPGWKNMCSZXFP-UHFFFAOYSA-N 324.381 -0.344 30 20 DBED CC(C)(C)C#CC(=O)NCCN(CCO)C(=O)Cc1cc[nH]n1 1057256678 PQDOQTFDNUOOIF-UHFFFAOYSA-N 320.393 -0.061 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)c1nccnc1N 1057439269 FUQVGMUEPHONMP-UHFFFAOYSA-N 319.365 -0.587 30 20 DBED CCO[C@H]1C[C@H]1C(=O)NCCN(CCO)C(=O)C#CC1CC1 1057531111 FMCCGVRFJCTPBX-KGLIPLIRSA-N 308.378 -0.238 30 20 DBED N#Cc1cnc(N2CC[C@H](NC(=O)C[C@@H]3CCC(=O)N3)C2)cn1 1058396564 PJXLOJYAAMYYBL-QWRGUYRKSA-N 314.349 -0.288 30 20 DBED C[C@H](C(=O)NCCN(CCO)C(=O)[C@H](C)C#N)c1cnn(C)c1 1058657020 ORNLXYDOZUKIMH-NEPJUHHUSA-N 321.381 -0.380 30 20 DBED Cn1cc(CC(=O)N2CC[C@H](N=c3cc[nH]c(C#N)n3)C2)cn1 1058844354 ARXWQGICNYKMOC-LBPRGKRZSA-N 311.349 -0.241 30 20 DBED CCn1cc(CC(=O)N(CCO)CCNC(=O)[C@@H](C)C#N)cn1 1058893595 ZEGYZCLGEVQACU-LBPRGKRZSA-N 321.381 -0.458 30 20 DBED N#Cc1nc(=NC[C@@H]2CCCN(C(=O)c3nc[nH]n3)C2)cc[nH]1 1060045781 YUSGVIDPSVMNQU-JTQLQIEISA-N 312.337 -0.147 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](CCNC(=O)Cn2cnnn2)C1 1060288517 ANTFBJNTMDEAKP-GHMZBOCLSA-N 305.342 -0.812 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](CCNC(=O)CS(C)(=O)=O)C1 1060288531 AVWUBRFAGUWIAH-GHMZBOCLSA-N 315.395 -0.455 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H]1COCCN1C(=O)CC1CC1 1061516752 ZMNPQGLLXFULRA-CYBMUJFWSA-N 321.377 -0.730 30 20 DBED CC(C)(C)C#CC(=O)N1CCOC[C@H]1CNC(=O)c1cnn[nH]1 1061697393 PIYOXXKMGPVKPA-LLVKDONJSA-N 319.365 -0.189 30 20 DBED C=C[C@@](C)(O)CC(=O)NC1(CNC(=O)c2nnn(C)n2)CCC1 1064047323 NJWGRDFUJJQSJX-CYBMUJFWSA-N 322.369 -0.694 30 20 DBED C=CCCC(=O)N1CCO[C@H](CNC(=O)[C@]2(C)CCNC2=O)C1 1064957499 LBOGOSIXASTKEB-MLGOLLRUSA-N 323.393 -0.178 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)[C@@]23COC[C@@H]2C3)CCO1 1065234166 GWGVUVXQMLQVSB-XEZPLFJOSA-N 324.377 -0.431 30 20 DBED C[C@@]1(NC(=O)[C@H]2CCNC2=O)CCN(c2cnc(C#N)cn2)C1 1065312402 NEODTHIIQMIAJM-XHDPSFHLSA-N 314.349 -0.431 30 20 DBED C=CCCC1(C(=O)NC[C@@H]2CN(C(=O)C(N)=O)CCO2)CC1 1065550620 LNTQZUGXLNDDBQ-LLVKDONJSA-N 309.366 -0.438 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@H](CNC(=O)CCn2ccnn2)C1 1065557800 VLQRMPVCEGCGLX-NWDGAFQWSA-N 320.353 -0.829 30 20 DBED CNC(=O)NCC(=O)N[C@@H]1CCCN(C(=O)C#CC2CC2)CC1 1066239658 NKKZVDZZLQHFHF-CYBMUJFWSA-N 320.393 -0.174 30 20 DBED N#Cc1ccc(N2CCOC[C@@H]2CNC(=O)c2cnco2)nn1 1066510573 YFGVKUCNMFCEPK-NSHDSACASA-N 314.305 -0.029 30 20 DBED CC(=O)NCC(=O)N(C)CCCN(C)C(=O)c1c[nH]c(C#N)c1 1066661840 IMSYYBIPYSFKTJ-UHFFFAOYSA-N 319.365 -0.057 30 20 DBED C[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@@H]1N=c1cc[nH]c(C#N)n1 1067077569 JISQOQDAZMGOTL-ZJUUUORDSA-N 312.337 -0.529 30 20 DBED C[C@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1Nc1nccnc1C#N 1067186578 HJZYIJHIHKNIDK-GXSJLCMTSA-N 314.349 -0.127 30 20 DBED C=CCCC(=O)N[C@@H]1COC2(C1)CN(C(=O)[C@@H](C)NC(C)=O)C2 1068747806 NETHKFAQPDMHFJ-YPMHNXCESA-N 323.393 -0.037 30 20 DBED C=CCOCC(=O)N1CCC[C@]2(CCN(C(=O)C(N)=O)C2)C1 1069731047 UNFYDTVPZPUOPP-HNNXBMFYSA-N 309.366 -0.485 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCCN(C(=O)[C@H]2COCCO2)C1 1070460405 KYCKUGKFLHCVOP-ZIAGYGMSSA-N 324.377 -0.451 30 20 DBED C[C@H](CC(=O)N1CCC[C@@H](NC(=O)C#CC2CC2)C1)NC(N)=O 1070734389 QWZGMTFLLGSMCR-DGCLKSJQSA-N 320.393 -0.046 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)[C@H]4COCCN4C)C[C@@]3(C1)O2 1070789587 DEDDGYMOXNLXJH-KCYZZUKISA-N 319.405 -0.748 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)CO[C@@H]4CCOC4)C[C@@]3(C1)O2 1070800251 WQCUGWHWYLVDHP-KCYZZUKISA-N 320.389 -0.273 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CCCN(C(=O)c2nnn(C)n2)C1 1071107144 KOXACONIQNULJP-QMTHXVAHSA-N 322.369 -0.742 30 20 DBED C#CCN1CC[C@]2(C1)CN(C(=O)c1nnn(C)n1)C[C@H](C)O2 1071197699 WUHHEOLIPHWFTE-FZMZJTMJSA-N 304.354 -0.851 30 20 DBED C[C@@H](C#N)C(=O)NC1(C)CCN(C(=O)[C@H](C)NC(N)=O)CC1 1072977734 NZEMALPEVPSBQH-UWVGGRQHSA-N 309.370 -0.300 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)c2cn3c(n2)COCC3)C1 1073660709 MFDZJHPVVLCWQP-ZDUSSCGKSA-N 318.377 -0.133 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)[C@H]2CCN(C)C(=O)C2)C1 1073664306 CWWJKCIJWFQZQG-KBPBESRZSA-N 307.394 -0.305 30 20 DBED CC#CCN1CCCO[C@H](CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 1073769954 XAJOBJFHNIZFLG-HZSPNIEDSA-N 323.393 -0.750 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)[C@H]2CCc3nn[nH]c3C2)C1 1073859825 UAOJCRKEGJOAGA-STQMWFEESA-N 317.393 -0.250 30 20 DBED Cn1nc(C(=O)NC[C@H]2CN(CC#N)CCCO2)ccc1=O 1073880797 TVGKGCPZXKUAMU-NSHDSACASA-N 305.338 -0.875 30 20 DBED C#CCCCC(=O)N1CC[C@H](NC(=O)Cn2cnnn2)C[C@@H]1C 1074808475 PPYFLTGVWYPGNQ-STQMWFEESA-N 318.381 -0.028 30 20 DBED CC(C)c1nnnn1CC(=O)N1CC[C@H]2CN(CC#N)C[C@H]21 1076338885 NYGAXPTXUZFYOT-NWDGAFQWSA-N 303.370 -0.147 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN(C(=O)CC)C2)C1 1077047899 WUMFKBXPUQPJMI-MGPQQGTHSA-N 309.410 -0.018 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)c2ccc3c(n2)OCCO3)C1 1077300945 YWAVZBOGSNKYHU-VXGBXAGGSA-N 305.334 -0.186 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3ccnc3)nc2)C1 1077476895 OMYTUMHCKNNBCJ-ZIAGYGMSSA-N 311.345 -0.325 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2COCCN2C2CCCC2)C1 1077560962 PUDUYSCGUUVCCR-BZUAXINKSA-N 321.421 -0.576 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)Cc2cn(C)nc2Cl)C1 1077674355 RQISSGCACOXYKB-VXGBXAGGSA-N 310.785 -0.199 30 20 DBED CC#CCN1C[C@@H](NC(=O)[C@@H]2Cc3cncn3C(=O)N2)[C@H](C)C1 1080183340 RFAVOHCMHIVKOY-KWCYVHTRSA-N 315.377 -0.175 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)c2cn(C)nn2)C[C@@H]1O 1081441242 GDNUXQDOEWCBCS-AAEUAGOBSA-N 319.365 -0.832 30 20 DBED C=CCCCC(=O)N1C[C@H](CNC(=O)c2cnnn2C)[C@@H](O)C1 1081448109 WJYYFEMZYSEPHP-AAEUAGOBSA-N 321.381 -0.280 30 20 DBED CC(C)C#CC(=O)N1C[C@H](CNC(=O)C#CC2CC2)[C@@H](O)C1 1081470716 DYKXUPVWLULGRW-GJZGRUSLSA-N 302.374 -0.005 30 20 DBED CCN(C)CCC(=O)N1C[C@H](CNC(=O)C#CC2CC2)[C@@H](O)C1 1081471416 NCGYIFZYKFMNNZ-GJZGRUSLSA-N 321.421 -0.323 30 20 DBED C#CCOCCC(=O)N1C[C@H](CNC(=O)C2(C)CC2)[C@@H](O)C1 1081545117 NANVYNCFOAIUDR-STQMWFEESA-N 308.378 -0.238 30 20 DBED C=CCOCC(=O)N1C[C@H](CNC(=O)CCN(C)C)[C@@H](O)C1 1081731315 ZMXSKURRACPVRL-STQMWFEESA-N 313.398 -0.924 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1ccc(C(N)=O)o1 1083137587 IUTGDSOBDIVLGL-GXFFZTMASA-N 303.318 -0.463 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCS(=O)(=O)C2)C1 1083618094 QALGQGZQAZCMRI-UPJWGTAASA-N 316.423 -0.451 30 20 DBED COC[C@H](OC)C(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@H]1O 1090527729 FADFMLGIFYCWSJ-UPJWGTAASA-N 320.349 -0.720 30 20 DBED C=CCN1CC[C@H](NC(=O)c2ccnc3nc(C)nn23)[C@@H](O)C1 1090724953 NTMMDPJAZKZTIV-AAEUAGOBSA-N 316.365 -0.216 30 20 DBED CC(=O)NCC(=O)N1C[C@@H](N=c2cc[nH]c(C#N)n2)[C@H](C)C1 1090952046 ZZAIXFXTUFIPRY-MWLCHTKSSA-N 302.338 -0.835 30 20 DBED Cc1nc(N2C[C@H](O)[C@H](NC(=O)[C@H](O)C(C)C)C2)ccc1C#N 1091091736 OALZCRYZRJYSFT-VNHYZAJKSA-N 318.377 -0.056 30 20 DBED CC(=O)NCC(=O)N[C@H]1CCN(c2ccnc(C#N)n2)[C@@H]1C 1091926252 IJENTMOOROKELH-KOLCDFICSA-N 302.338 -0.432 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CCN(c2cnc(F)cn2)[C@@H]1C 1091957973 RJMVKPPANYFQQS-MNOVXSKESA-N 319.340 -0.161 30 20 DBED N#Cc1nccc(N2CC[C@H](NC(=O)C#CC3CC3)[C@@H](O)C2)n1 1092152087 QEEMXUAQCZEIDT-STQMWFEESA-N 311.345 -0.183 30 20 DBED Cc1cc(C#N)nc(N2CCN(C(=O)[C@H](C)NC(N)=O)CC2)n1 1093145595 UKTNGZUHQPRXAP-JTQLQIEISA-N 317.353 -0.638 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@H]2CN(c3ccc(C)nn3)C[C@H]12 1093267299 WNLUHUFADUMNGI-RYUDHWBXSA-N 313.361 -0.525 30 20 DBED C[C@H](C#N)C(=O)N1CCN(CC2CC2)[C@H]2CS(=O)(=O)C[C@H]21 1094614363 CVBFZYWLUULHFW-KGYLQXTDSA-N 311.407 -0.134 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)[C@@]3(F)CCOC3)CC2=O)C1 1094778010 ISYOKPQXFBIZQB-XHDPSFHLSA-N 311.357 -0.298 30 20 DBED CC#CCN1CC(N2C[C@H](NC(=O)Cc3cnoc3)CC2=O)C1 1094778324 LQQLJFKHSABMOE-CYBMUJFWSA-N 316.361 -0.358 30 20 DBED CN1CCO[C@@H](C(=O)NCCCN(C)c2nccnc2C#N)C1 1095521593 KTPIEIIKLNRLFB-CYBMUJFWSA-N 318.381 -0.379 30 20 DBED COC[C@@H](OC)C(=O)NCCCN(C)c1ccnc(C#N)n1 1095733283 CGNLKOUWWFKAMM-LLVKDONJSA-N 307.354 -0.048 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CCN(c2ncncc2Cl)C1 1096361037 WBGXVIFRSXUJKB-JTQLQIEISA-N 321.768 -0.036 30 20 DBED COC(=O)c1nc(=N[C@H]2C[C@@H](NC(=O)[C@@H](C)C#N)C2)cc[nH]1 1097165465 AUWFHKGPMKTSBR-LPEHRKFASA-N 303.322 -0.096 30 20 DBED CCN1CCOC[C@@H]1C(=O)NC[C@H](C)Nc1ccc(C#N)nn1 1098128586 JLKGSQRCUIFFEZ-WCQYABFASA-N 318.381 -0.014 30 20 DBED Cn1oc(C(=O)N2CCC(N(CC#N)CCO)CC2)cc1=O 1098353929 DUMFEANGTFPKAN-UHFFFAOYSA-N 308.338 -0.599 30 20 DBED C#CCN(CCO)C1CCN(C(=O)[C@H]2CC[C@H]2C(N)=O)CC1 1098447301 GONVMORJTZOAOE-KGLIPLIRSA-N 307.394 -0.584 30 20 DBED C#CCN(CCO)C1CCN(C(=O)CN2C(=O)CCC2=O)CC1 1098558538 IMZKMFGZJGWTHG-UHFFFAOYSA-N 321.377 -0.946 30 20 DBED C[C@@H](CCNC(=O)CCCC(N)=O)N=c1cc[nH]c(C#N)n1 1099278080 SRLAUBAOBZANCO-JTQLQIEISA-N 304.354 -0.268 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)c2cnn(C)c2)[C@H](O)C1 1099651727 WMAUOVCNUGDMQO-UONOGXRCSA-N 308.382 -0.212 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)c2nccnc2N)[C@@H](O)C1 1099748872 DABNCMREOUSBIX-NEPJUHHUSA-N 321.381 -0.574 30 20 DBED CC(C)NC(=O)CN1CC[C@H](NC(=O)C#CC2CC2)[C@@H](O)C1 1099826328 JKUCJQVYWSNPPB-KBPBESRZSA-N 307.394 -0.524 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)CCc2cnn(C)n2)[C@@H](O)C1 1100009142 STHJWLYIFJETCP-KGLIPLIRSA-N 307.398 -0.125 30 20 DBED C[C@H](NC(N)=O)C(=O)NCCN(C)c1ncc(C#N)cc1F 1100025405 NARBJGSDFZFBPV-QMMMGPOBSA-N 308.317 -0.298 30 20 DBED N#CCN1CC[C@@H](NC(=O)CC(=O)NCC(F)(F)F)[C@H](O)C1 1100056547 WGHIMYFUJRSKGQ-RKDXNWHRSA-N 322.287 -0.870 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2ccn(C)n2)[C@@H](O)C1 1100110018 OEGDOHPZYQSUFV-OCCSQVGLSA-N 306.366 -0.765 30 20 DBED CN(CCNC(=O)[C@H]1CCC(=O)N1C)c1ccnc(C#N)n1 1100280182 XWFNMMNMDOWFHT-SNVBAGLBSA-N 302.338 -0.479 30 20 DBED COCC#CCNC1CC(CNC(=O)[C@@H]2CCC(=O)N2C)C1 1100581643 JWPBGFXJRVLTQV-RUXDESIVSA-N 307.394 -0.259 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H]1CCN(c2nccc(C)n2)C1 1100974747 ZQJLYXBLJMXVPY-CYBMUJFWSA-N 315.377 -0.133 30 20 DBED CN(CCNc1nccn2nnnc12)C(=O)c1cc(C#N)c[nH]1 1101571670 LIGMBNHPOHGETE-UHFFFAOYSA-N 311.309 -0.097 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H]2C[C@H]1CN2c1ncc(F)cn1 1102546519 FGSFFUWTAGWKBI-RYUDHWBXSA-N 317.324 -0.455 30 20 DBED C=CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)c2cnn[nH]2)C1 1103179440 NVPLHQKETZGQPQ-VXGBXAGGSA-N 320.397 -0.205 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)[C@@H](C)CC(N)=O 1104155529 GCYAEWIPMVVRME-ZJUUUORDSA-N 304.354 -0.554 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1CCNCC(=O)NC(N)=O 1104174666 XJJZFKQGLZDOQM-DGCLKSJQSA-N 320.393 -0.331 30 20 DBED Cn1cccc1C(=O)NC[C@@H](O)CNc1nccnc1C#N 1105755023 OMBZKFSYTMPPRE-JTQLQIEISA-N 300.322 -0.110 30 20 DBED CCn1cc(C(=O)NC[C@@H](O)CNc2cncc(C#N)n2)cn1 1105766272 UCJJQBHDFLOZQQ-LBPRGKRZSA-N 315.337 -0.233 30 20 DBED C=CCNC(=O)CNC[C@@H]1CN(C(=O)CNC(C)=O)C[C@H]1C 1105768067 ILSCXACQETVCOD-DGCLKSJQSA-N 310.398 -0.891 30 20 DBED N#Cc1nccnc1NC[C@@H](O)CNC(=O)[C@@H]1CCCCO1 1105820018 QFLUNMOCFGFRNO-PWSUYJOCSA-N 305.338 -0.194 30 20 DBED CC[C@@H](C(=O)NC[C@@H](O)CNc1nccnc1C#N)N(C)C 1105926199 PITYUYDGBZWPBO-JQWIXIFHSA-N 306.370 -0.423 30 20 DBED N#Cc1cnc(NC[C@@H](O)CNC(=O)c2cnon2)c(F)c1 1105928032 IFLDUXCUTBKFFR-MRVPVSSYSA-N 306.257 -0.322 30 20 DBED N#Cc1nc(=NC[C@@H](O)CNC(=O)c2nccs2)cc[nH]1 1105937265 HWWRSNMYBMXSDT-MRVPVSSYSA-N 304.335 -0.571 30 20 DBED N#Cc1cnc(NC[C@@H](O)CNC(=O)Cn2nccn2)c(F)c1 1105986225 WMYGDNZKLZQSAV-JTQLQIEISA-N 319.300 -0.727 30 20 DBED CNS(=O)(=O)CC(=O)NC/C=C\CNc1ccc(C#N)cn1 1107214763 QNJSIBUWWOFMQH-IHWYPQMZSA-N 323.378 -0.413 30 20 DBED COC[C@H](OC)C(=O)NC/C=C/CN=c1cc[nH]c(C#N)n1 1107497280 FWLMCLHDICDDMR-UFFNRZRYSA-N 305.338 -0.484 30 20 DBED C=C(C)CN1CCO[C@@](C)(CNC(=O)C2CS(=O)(=O)C2)C1 1107967228 QGOCWCNHHIQRHK-AWEZNQCLSA-N 316.423 -0.186 30 20 DBED CCN1CCOC[C@@H]1C(=O)N[C@H](C)CNc1cnc(C#N)cn1 1107994710 NDDANIGWWQSVQG-DGCLKSJQSA-N 318.381 -0.014 30 20 DBED C=C(C)CN1CCO[C@](C)(CNC(=O)C[C@@H]2NC(=O)NC2=O)C1 1108001778 MWGXXYMYSSZOGR-XHDPSFHLSA-N 324.381 -0.632 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](C)NC(=O)[C@H]2CCNC2=O)n1 1108039774 JNBVRBFKGRQDNL-KOLCDFICSA-N 302.338 -0.291 30 20 DBED C[C@]1(CNC(=O)CCn2cnccc2=O)CN(CC#N)CCO1 1108313031 WLCLCZNOXZAJRE-HNNXBMFYSA-N 319.365 -0.636 30 20 DBED COCCn1cc(C(=O)NC[C@]2(C)CN(CC#N)CCO2)cn1 1108371485 WKRDNFHYLSLFCG-OAHLLOKOSA-N 321.381 -0.126 30 20 DBED N#CCN1CC(N2C[C@H](NC(=O)CC[C@H]3CCOC3)CC2=O)C1 1108533804 CRCCKVPYHAJCOA-QWHCGFSZSA-N 320.393 -0.272 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)CCc3ncc[nH]3)CC2=O)C1 1108538799 OHTVDUHZIXFNOO-LBPRGKRZSA-N 315.377 -0.623 30 20 DBED N#Cc1cccnc1N1C[C@H]2C[C@H]1[C@@H]2NC(=O)CCNC(N)=O 1109708947 SRAZJCSJXRDQPC-NTZNESFSSA-N 314.349 -0.295 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H](NC(=O)[C@H]1CNC(=O)N1)C1CC1 1109963797 PIPDPOQZXSPMIZ-QWHCGFSZSA-N 314.349 -0.637 30 20 DBED C#CCCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CC[C@@H]1NC(=O)NC1=O 1110077236 MCPDWTZWERYZTP-VOAKCMCISA-N 318.377 -0.281 30 20 DBED C[C@@H](CC(=O)NCC1(Nc2ccnc(C#N)n2)CC1)NC(N)=O 1110237498 QZQXRIWEXIAFFE-VIFPVBQESA-N 317.353 -0.144 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cnnn1C 1110503816 JYPLCRADYLOJJG-UPJWGTAASA-N 303.366 -0.200 30 20 DBED CC[C@H](OC)C(=O)NC[C@@]1(O)CCN(c2nccnc2C#N)C1 1111044095 SEORITOGFYWRCK-WFASDCNBSA-N 319.365 -0.169 30 20 DBED Cc1ccc(C#N)c(N2CC[C@@](O)(CNC(=O)CC(N)=O)C2)n1 1111053701 KBCAKQWNLXCZIF-OAHLLOKOSA-N 317.349 -0.806 30 20 DBED N#Cc1c[nH]ccc1=NCCN(CCO)C(=O)Cc1cnc[nH]1 1111569770 NNDKMGQZUSDJSE-UHFFFAOYSA-N 314.349 -0.426 30 20 DBED C[C@H]1CN(C(=O)CCNC(N)=O)C[C@@H]1Nc1cnc(C#N)cn1 1112312301 FCKHNNPGLGGECY-ONGXEEELSA-N 317.353 -0.335 30 20 DBED C[C@@H]1CN(c2cnc(C#N)cn2)CC[C@@H]1NC(=O)CNC(N)=O 1112392427 GTWWEZAIKRMZFS-KOLCDFICSA-N 317.353 -0.652 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(c2cc(F)ncn2)C[C@@H]1O 1112701441 GVNNDSSLZHWRKV-MNOVXSKESA-N 310.329 -0.268 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)CC[C@H]2CCOC2)CC1 1112758988 ACTAFLMXEBOVRJ-ZDUSSCGKSA-N 308.382 -0.413 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)CCc2ccncn2)CC1 1112898223 KYPABALTDGYGBX-UHFFFAOYSA-N 316.365 -0.807 30 20 DBED CC1(C)CO[C@@H](CC(=O)N2CCN(CC(=O)NCC#N)CC2)C1 1113094316 QXAKKLKKEJWBJO-ZDUSSCGKSA-N 322.409 -0.024 30 20 DBED COCC#CCN1CCN(C(=O)[C@H]2CCN(C(C)=O)C2)CC1 1113588611 SRANROWLCJVXNW-HNNXBMFYSA-N 307.394 -0.351 30 20 DBED C[C@H](CNC(=O)Cn1cncn1)N(C)c1ccc(C#N)nn1 1113609247 FUZFMVKVKVUMML-SNVBAGLBSA-N 300.326 -0.419 30 20 DBED C[C@H](CNC(=O)C[C@@H]1CCNC1=O)N(C)c1cnc(C#N)cn1 1113755416 CIIDEBVGOWVOEG-MNOVXSKESA-N 316.365 -0.185 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)c3cc(C)on3)[C@H]2C1 1113818743 IDSZBISICKLVBQ-NMKXLXIOSA-N 316.361 -0.219 30 20 DBED CCCn1nnnc1CN1C[C@H]2C(NC(=O)[C@@H](C)C#N)[C@@H]2C1 1114067643 UXPDLPGLKQUWBX-HBNTYKKESA-N 303.370 -0.211 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)[C@@H]3CCCCO3)[C@@H]2C1 1114141864 WSYSERLUMZIWMR-UPJWGTAASA-N 307.394 -0.096 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)[C@@H](C3CC3)N(C)C)[C@@H]2C1 1114410376 UVWNMMYPWCDINH-XJKCOSOUSA-N 318.421 -0.878 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3[nH]nnc3C)[C@H]2C1 1114659725 DXNJCFIVRZFNQI-IWIIMEHWSA-N 304.354 -0.925 30 20 DBED CC(=O)N[C@@H](C)C(=O)N(C)C[C@H](C)N=c1cc[nH]c(C#N)n1 1115636215 MHKTUZMVDWDJNZ-UWVGGRQHSA-N 304.354 -0.446 30 20 DBED Cc1cc(NC(=O)C(=O)N2CCn3cnnc3C2)ncc1C#N 1118372902 BPWHUMUDTUAHIN-UHFFFAOYSA-N 311.305 -0.166 30 20 DBED C[C@H]1CN(C(=O)NCC#CCO)CC[C@H]1N1CCN(C)CC1 1119617897 XKRXIYNSWXLLJE-LSDHHAIUSA-N 308.426 -0.351 30 20 DBED C[C@@H](CN(C)C(=O)C1CS(=O)(=O)C1)Nc1ccc(C#N)nn1 1120122671 HIFJDTSPYXYPQQ-VIFPVBQESA-N 323.378 -0.348 30 20 DBED Cc1cc(C(=O)NC[C@H](CO)N=c2cc[nH]cc2C#N)no1 1121010821 RMNRSQGBLLMVDO-LLVKDONJSA-N 301.306 -0.126 30 20 DBED COC(=O)NCC(=O)NC[C@@H](CO)Nc1ccc(C#N)cn1 1121113821 YCYZADDVHFFALW-JTQLQIEISA-N 307.310 -0.802 30 20 DBED N#Cc1c(F)cccc1N[C@H](CO)CNC(=O)[C@@H]1COC(=O)N1 1121387110 NCAFGSXBPWJSBL-UFBFGSQYSA-N 322.296 -0.305 30 20 DBED Cn1nccc1CC(=O)NC[C@@H](CO)Nc1ccc(C#N)nc1 1121412211 LPHBKVZIBDJPIL-ZDUSSCGKSA-N 314.349 -0.182 30 20 DBED Cn1ccc(C(=O)NC[C@@H](CO)Nc2ccc(C#N)nn2)n1 1121580279 IBHQAZYAXYWJIR-JTQLQIEISA-N 301.310 -0.715 30 20 DBED Cc1nc(O)[nH]c1C(=O)NC[C@@H](CO)Nc1ccc(C#N)nn1 1122213702 PDIMZSCRBFSPMP-VIFPVBQESA-N 317.309 -0.712 30 20 DBED COC[C@@H](OC)C(=O)NC[C@@H](CO)Nc1ccc(C#N)nc1 1122466556 PMXCYLDVHVAATQ-QWHCGFSZSA-N 308.338 -0.496 30 20 DBED C=CCCO[C@H](C)C(=O)NCCNCCNS(=O)(=O)CC 1124496164 XCTDWKXJBWQZQW-GFCCVEGCSA-N 321.443 -0.387 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]cc1C#N)C(=O)c1cnco1 1124623623 XLKKXRNAWBRASE-LLVKDONJSA-N 301.306 -0.092 30 20 DBED CN(C)CCCC(=O)N(C)C[C@H](O)CNc1ccc(C#N)nn1 1124683296 FZTUOGYYGRMWMM-CYBMUJFWSA-N 320.397 -0.079 30 20 DBED O=C(C#CC1CC1)NCCNCC(=O)NCc1cccnc1 1126899414 QLRUBBYRUHTBMJ-UHFFFAOYSA-N 300.362 -0.183 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1csc([C@H](C)OC)n1 1127345160 XRNGKELUJQEUCL-JTQLQIEISA-N 324.406 -0.081 30 20 DBED C=CCn1cccc1C(=O)NCCN[C@@H]1CCC(=O)NC1=O 1129502781 NOSGDYFZGFIFLX-LLVKDONJSA-N 304.350 -0.201 30 20 DBED C=C(C)CCC(=O)N1C[C@H](n2ccnn2)[C@H](NCC(=O)NC)C1 1129879193 WUEMNFAFKJEIDV-OLZOCXBDSA-N 320.397 -0.278 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)COc1cc(C)on1 1129916124 YWBVAZGOGDCYJG-NSHDSACASA-N 310.354 -0.242 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1snnc1C1CC1 1129933574 RQTRMJKWLYZSSR-VIFPVBQESA-N 321.406 -0.127 30 20 DBED COC[C@@H](C)C(=O)NCc1nc([C@@H]2COCCN2CC#N)n[nH]1 1130834643 DCKDRZFRMLVMHU-MNOVXSKESA-N 322.369 -0.400 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1coc(C(F)(F)F)n1 1130851032 ZECKFWMDYIAVCZ-UHFFFAOYSA-N 319.243 -0.347 30 20 DBED CCC(=O)NCC(=O)N[C@H]1CC[C@@H](C)N(CC(=O)NCC#N)C1 1131909475 XZEKOTIOVKLWPO-NEPJUHHUSA-N 323.397 -0.879 30 20 DBED C[C@@H]1CC[C@H](NC(=O)c2cnn[nH]2)CN1CC(=O)NCC#N 1132146070 XADOMFWHTQPTBY-ZJUUUORDSA-N 305.342 -0.973 30 20 DBED C=CCN1C[C@H](NC(=O)CNC(=O)Cn2cncn2)CC[C@@H]1C 1132513052 NMJRUIWLUJEMJB-QWHCGFSZSA-N 320.397 -0.451 30 20 DBED C=CCn1cc(C(=O)NCCN[C@H](C)C(=O)NC2CC2)nn1 1134973083 CLMYBAPLNCKUAK-SNVBAGLBSA-N 306.370 -0.549 30 20 DBED C=CCCN[C@@H](C)C[C@H](C)NC(=O)CNS(=O)(=O)NC 1135117995 GENLBHTUPVNSNU-QWRGUYRKSA-N 306.432 -0.511 30 20 DBED C#CCN[C@@H](C)C[C@H](C)NC(=O)CN1C(=O)NC(=O)C1(C)C 1135881918 DXIUHRJCCBOINB-QWRGUYRKSA-N 308.382 -0.177 30 20 DBED Cc1c(C(=O)NCCNCC(=O)NCC#N)nnn1C(C)C 1135981287 CIDSEPDXIMMJII-UHFFFAOYSA-N 307.358 -0.873 30 20 DBED C=CCCOCC(=O)NC[C@@H]1CN([C@H](C)C(N)=O)CCCO1 1150803878 VAVTZYVIJBJXFT-CHWSQXEVSA-N 313.398 -0.340 30 20 DBED CNS(=O)(=O)CC(=O)NCCNCc1ccc(C#N)cc1 1151373041 JNRQIHDPWDFCMT-UHFFFAOYSA-N 310.379 -0.687 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H](C)N(CC)CC(=O)NC(N)=O 1153306024 DGFPAEPRCBUEIP-GHMZBOCLSA-N 312.370 -0.954 30 20 DBED C#CCNC(=O)CC(=O)NCCCN[C@@H](C)c1noc(C)n1 1156848098 RIVMEKGUIBUKOV-JTQLQIEISA-N 307.354 -0.326 30 20 DBED Cc1ccn(C[C@@H](C)C(=O)NCCCNCC(=O)NCC#N)n1 1158843955 FSNVPZVSGJGHRT-GFCCVEGCSA-N 320.397 -0.437 30 20 DBED C=CCNCC1(CCNC(=O)[C@H]2CCS(=O)(=O)N2)CC1 1168192541 WAZPHTMZDQWYCS-LLVKDONJSA-N 301.412 -0.260 30 20 DBED C[C@H](CCCCNCC(=O)NCC#N)NC(=O)Cn1cccn1 1169155966 AITJLQAWOLBOBS-CYBMUJFWSA-N 320.397 -0.213 30 20 DBED CC#CCNCCCNC(=O)CS(=O)(=O)NC(C)(C)C 1176358046 VOQZHHZBEDLITN-UHFFFAOYSA-N 303.428 -0.177 30 20 DBED CC#CCN1CCO[C@H]2CCN(C(=O)CNC(=O)C3CC3)C[C@H]21 1176936197 DTYNUQTWDCRYGU-CABCVRRESA-N 319.405 -0.162 30 20 DBED C[C@@H](C[C@H]1CCCO1)C(=O)NCCCNCC(=O)NCC#N 1177229631 KWKANWCRNALMJJ-QWHCGFSZSA-N 310.398 -0.073 30 20 DBED C[C@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)c1ccn(C)c1 1178462537 CIPLNCUAUMSUKM-AAEUAGOBSA-N 303.366 -0.143 30 20 DBED C[C@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)c1cn(C)cn1 1178472725 BQPBVFCRFHXEDN-QWRGUYRKSA-N 304.354 -0.748 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)Cc2nonc2C)[C@H]1C 1179818627 WWVKSMJRKUXEDD-RYUDHWBXSA-N 319.365 -0.751 30 20 DBED C#CCNCCCCCCNC(=O)CN1CCC(=O)NC1=O 1180000481 XUOBWRHXQKMWDP-UHFFFAOYSA-N 308.382 -0.172 30 20 DBED C#CCNCCCCCCNC(=O)CNC(=O)Cn1cncn1 1180357639 YUMTVECWTOVGNX-UHFFFAOYSA-N 320.397 -0.706 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2cc(C)n(C)n2)C1 1181302423 RHBUBMIVNIMJHI-GFCCVEGCSA-N 303.366 -0.718 30 20 DBED CC(C)CNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)[C@@H](C)C#N)C1 1181662491 NAHIGDYBRFWOLX-NWDGAFQWSA-N 323.397 -0.182 30 20 DBED C#CCNC[C@@H]1CCN(C(=O)CN2C(=O)CN(C)C2=O)C[C@H]1C 1185642912 VPINPCAPKUBVFB-OLZOCXBDSA-N 320.393 -0.412 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)Cc2cncn2C)C1 1187092436 SIHFUVAIIKOWRC-GFCCVEGCSA-N 305.382 -0.545 30 20 DBED Cc1cc(C(=O)N2CC[C@@H](N(C)CC(=O)NCC#N)C2)nn1C 1189116076 RPUPDKOCHSCBGK-GFCCVEGCSA-N 318.381 -0.485 30 20 DBED C=CCNC(=O)[C@H](C)N(C)[C@@H]1CCN(C(=O)CC(=O)NC)C1 1189859131 XITPMDQZUMZLQQ-NWDGAFQWSA-N 310.398 -0.654 30 20 DBED C#CCCCC(=O)N[C@@H]1CN([C@H]2CCCN(C)C2=O)C[C@H]1O 1192503673 ICRNCHVGOUILRO-HZSPNIEDSA-N 307.394 -0.428 30 20 DBED C#CCCCC(=O)N[C@@H]1CN([C@H](C)C(=O)NCCC)C[C@H]1O 1192525113 QMCDQFFYYWXNJW-MGPQQGTHSA-N 309.410 -0.134 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(CCn2cccn2)C[C@H]1O 1192530577 OFNNIMUDTHMDLQ-NFAWXSAZSA-N 308.382 -0.629 30 20 DBED C=C(C)CN(C)[C@@H]1CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)C1 1192687375 FXYLPKKGUIJEDD-OLZOCXBDSA-N 310.398 -0.525 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2oc(C)nc2C)C[C@H]1O 1192890975 FIYVUUUGNGENTE-IACUBPJLSA-N 321.377 -0.009 30 20 DBED CN1CC[C@H](CC(=O)N2CC[C@@H](N(C)CC(=O)NCC#N)C2)C1 1193461239 GWOUWXFPMURDJX-ZIAGYGMSSA-N 321.425 -0.499 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)c2cnsn2)CC1 1194970812 KBFUYYQHFXGJKC-UHFFFAOYSA-N 309.395 -0.012 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)CCCCc2cnn[nH]2)C1 1194975851 KZMGLYYIZUQBQZ-ZIAGYGMSSA-N 305.382 -0.298 30 20 DBED C=C[C@](C)(CCOC)C(=O)N[C@@H]1CN(Cc2cnon2)C[C@H]1O 1195020111 GCDYZGVVADSANE-UMVBOHGHSA-N 324.381 -0.040 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C/C=C(/C)C=C)C1 1195399496 BVZRSBLZWIWKGZ-NGPFNDBQSA-N 307.394 -0.028 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)c2cc[nH]n2)CCCO1 1199903852 KEOANSOJDWKELO-CYBMUJFWSA-N 306.366 -0.120 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)[C@H]2CN(C)C(=O)N2)CCCO1 1201155046 KKDJQFDJCUJGTL-CHWSQXEVSA-N 308.382 -0.760 30 20 DBED C#CCN[C@H]1C[C@@H](NC(=O)CNS(=O)(=O)CC)C12CCC2 1202996855 UBRPSUWCNKMVHI-NWDGAFQWSA-N 313.423 -0.424 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)C23CCN(CC2)C3)CC1 1203348593 ACMLCYQQOUTSSR-UHFFFAOYSA-N 318.421 -0.588 30 20 DBED N#CCNC(=O)CNC1CCN(C(=O)Cn2ccnc2)CC1 1204075799 FZZQFTIJVHIWPF-UHFFFAOYSA-N 304.354 -0.897 30 20 DBED C[C@@H]1CN(Cc2nnn(C)n2)C[C@H]1NC(=O)CSCC#N 1206089747 FHGSPLRMZINJHL-NXEZZACHSA-N 309.399 -0.597 30 20 DBED CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N2CCC(CNCC#N)CC2)O1 1206260373 BWKBJBJPWGNYNI-UONOGXRCSA-N 322.409 -0.026 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H](NCCCN2C(=O)CNC2=O)C1 1207692426 HOXRVVWLEPJGPJ-NEPJUHHUSA-N 321.381 -0.331 30 20 DBED CC#CCN[C@@H]1CCCN(C(=O)CN(C)S(C)(=O)=O)C1 1208272150 XURRVWRRANLNDM-GFCCVEGCSA-N 301.412 -0.518 30 20 DBED CN(C)[C@H](C(=O)N1CCC[C@@H](NCC(=O)NCC#N)C1)C1CC1 1208335611 WQJVLTJIURHPAO-HIFRSBDPSA-N 321.425 -0.453 30 20 DBED C=C(C)CCN[C@@H]1CCCN(C(=O)CNC(=O)CNC(C)=O)C1 1208439006 LUGMDIZUNVRLGM-CQSZACIVSA-N 324.425 -0.215 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1CN(CC(=O)NC)C[C@H]1C 1209179135 ZIQIFVWSCJOOAM-MRVWCRGKSA-N 324.425 -0.360 30 20 DBED C#CCN[C@@H]1CCCN(C(=O)[C@@H](NC(=O)COC)C(C)C)C1 1209999448 ABBZGLBJEHHTSA-HIFRSBDPSA-N 309.410 -0.013 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2cnn(C)c2)C[C@H]1OC 1212255154 FFVVYNMRNSCPIL-BPLDGKMQSA-N 320.393 -0.226 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)c2ccsn2)C[C@H]1C 1214933937 WWKPAIWBJMXSAF-ZYHUDNBSSA-N 306.391 -0.057 30 20 DBED C=C(C)CCN[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@H]1C 1215964581 GMSXLHFDMCQQRA-VXGBXAGGSA-N 308.382 -0.059 30 20 DBED C#CCCN[C@@H]1CN(C(=O)CN2CCC(=O)NC2=O)C[C@H]1C 1216234504 ODNFDLLIPRRCFD-VXGBXAGGSA-N 306.366 -0.612 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(CCOC(C)C)C[C@@H]1O 1219535770 FLIXSXFSHDKDJR-VNHYZAJKSA-N 300.399 -0.100 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)c2ccnnc2C)C1 1219949595 LNNPCSHSTPNONY-KGLIPLIRSA-N 304.350 -0.790 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)CNC(=O)c2cscn2)C1 1220701952 RJNVSORPOGRONH-PWSUYJOCSA-N 322.390 -0.943 30 20 DBED Cn1nccc1C(=O)N1C[C@H]2CCN(CC(=O)NCC#N)C[C@H]21 1221412798 BYFCZJFBQQDBTA-DGCLKSJQSA-N 316.365 -0.794 30 20 DBED CO[C@H](C)CCC(=O)N1C[C@H]2CCN(CC(=O)NCC#N)C[C@H]21 1221499143 PTMFCWZYXGXZSZ-MGPQQGTHSA-N 322.409 -0.026 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@H]2CCN(CCn3cncn3)C[C@H]21 1221544849 KCCSVIRGXRSOJX-RRFJBIMHSA-N 317.393 -0.151 30 20 DBED N#CCNC(=O)CN1CC[C@@H]2CN(C(=O)Cc3ncc[nH]3)[C@@H]2C1 1221890594 CSDQYSJENZOMMD-VXGBXAGGSA-N 316.365 -0.875 30 20 DBED COCC#CCN1CCC(CNC(=O)C[C@H]2CCNC2=O)CC1 1223457918 SPYVMRCMCVLHIJ-OAHLLOKOSA-N 321.421 -0.009 30 20 DBED C#CCNC(=O)CC(=O)NC1CCN(Cc2cnon2)CC1 1226962012 WNRLMMFTSILNRN-UHFFFAOYSA-N 305.338 -0.710 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)CN2CC[C@H](C)C2)CC1 1229184869 DELCPLNWGMFBQF-AWEZNQCLSA-N 320.437 -0.342 30 20 DBED C#CCNC(=O)[C@H](C)N(C)CCCNC(=O)c1cnn(C)c1 1233812420 MFMDLCAJRPHUQE-LBPRGKRZSA-N 305.382 -0.390 30 20 DBED C=CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)c1cc(=O)n(C)o1 1233866896 WIZYJKSCTQDZHD-LLVKDONJSA-N 322.365 -0.573 30 20 DBED C=C[C@](C)(O)CC(=O)N(C)C[C@H]1CCN1Cc1nnn(C)n1 1233978094 RAIKQUQESZIQCY-RISCZKNCSA-N 308.386 -0.430 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C[C@H]1CCN1Cc1nncn1C 1234216037 RSULKOFFBXRBMW-CHWSQXEVSA-N 305.382 -0.114 30 20 DBED COCC#CCN1CC[C@@H]1CN(C)C(=O)c1cnnc(O)c1 1235603088 SQEGMTBJTDGXGN-CYBMUJFWSA-N 304.350 -0.022 30 20 DBED C[C@@H]1CN(C)C(=O)CN1C(=O)C(=O)NCC#Cc1ccccc1 1322988161 KNVJVHHYSLOVGT-CYBMUJFWSA-N 313.357 -0.157 30 20 DBED Cc1cc(NC(=O)C(=O)NC[C@]2(O)CCOC2)ncc1C#N 1326779188 AHMGXLMYFJSDTR-CQSZACIVSA-N 304.306 -0.532 30 20 DBED CCC(=O)N1CC[C@@H](NC(=O)C(=O)NCC2(CC#N)CC2)C1 1329382802 PUDFWSJXJBHKEY-LLVKDONJSA-N 306.366 -0.076 30 20 DBED CCO[C@H]1CCCN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)C1 1329448305 NXPAFRWCPWWRJS-SWLSCSKDSA-N 309.366 -0.109 30 20 DBED Cc1cc(NC(=O)C(=O)N(C)[C@H]2CCNC2=O)ncc1C#N 1332892983 LWVYUMSPZCNILQ-JTQLQIEISA-N 301.306 -0.453 30 20 DBED CN(CCN1CCOCC1)C(=O)C(=O)N1CCC[C@H](C#N)C1 1335047193 WNPNKCHKEHFIIN-CYBMUJFWSA-N 308.382 -0.461 30 20 DBED C#C[C@@H](CCC)NC(=O)C(=O)Nc1cc(C)n(CC(=O)NC)n1 1338967781 UDOORRLJFTVRAC-NSHDSACASA-N 319.365 -0.206 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)Nc2ccn(CC(F)F)n2)CCO1 1340170500 JPXQEPWKQZSQOP-QMMMGPOBSA-N 313.264 -0.162 30 20 DBED C=CCn1c([C@H](O)COC)nnc1N(C)C[C@H]1COCCO1 1340658082 GWLDOGLKERCZGV-NWDGAFQWSA-N 312.370 -0.005 30 20 DBED N#CC1(NS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)CC1 1341132488 HIRWIWJPBVYFMM-UHFFFAOYSA-N 306.303 -0.449 30 20 DBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Cn1ncn2nccc2c1=O 1344491367 NUZAYVPHWGBRBQ-FZMZJTMJSA-N 317.349 -0.012 30 20 DBED CCNC(=O)CNC(=O)C(=O)Nc1ccc(OCC#N)cc1 1347019936 HNZXAISDIWOMRY-UHFFFAOYSA-N 304.306 -0.220 30 20 DBED CCNC(=O)[C@@H](NC(=O)C(=O)Nc1cnn(CC#N)c1)C(C)C 1347681074 VYSZTDMVHJMIAB-NSHDSACASA-N 320.353 -0.378 30 20 DBED C=CCNC(=O)Cn1nnnc1N1CCO[C@H]([C@H]2CCCO2)C1 1355580668 BASJOFOYJHFNDW-NEPJUHHUSA-N 322.369 -0.641 30 20 DBED C[C@H](NC(=O)Cn1cc(C#N)c(O)nc1=O)c1cnn(C)c1 1362129941 ANRXBEAESNWRSW-QMMMGPOBSA-N 302.294 -0.569 30 20 DBED COC[C@@H]1CN(C(=O)Cn2cc(C#N)c(O)nc2=O)C[C@@H](C)O1 1362519723 KBQWDEGINONDMV-KOLCDFICSA-N 322.321 -0.917 30 20 DBED C[C@@H](C#N)C(=O)N(CCNC(=O)[C@H]1CCC(=O)N1C)C1CC1 1374296500 IMRLBHVZJRHNLX-CMPLNLGQSA-N 306.366 -0.126 30 20 DBED C=C(Cl)CNC[C@@H](O)CNC(=O)[C@H]1CCS(=O)(=O)C1 1379230684 ZCVRYMODTYDKIQ-VHSXEESVSA-N 310.803 -0.760 30 20 DBED CCC(=O)N[C@H](C)C(=O)NC1CN(C(=O)c2ccc(C#N)[nH]2)C1 1387748522 PWTYKBBDWBHHIW-SECBINFHSA-N 317.349 -0.258 30 20 DBED C[C@H](C#N)C(=O)NC[C@](C)(NC(=O)CN1CCOCC1)C1CC1 1388260974 HPMSQYPOXPLTED-WBMJQRKESA-N 322.409 -0.121 30 20 DBED COc1cc(C(=O)NC[C@@H](O)CNC(=O)[C@@H](C)C#N)ccn1 1389105307 JWKVZRIADDQIFM-ONGXEEELSA-N 306.322 -0.543 30 20 DBED C[C@H](CNC(=O)c1cn(C)c(=O)n1C)CNC(=O)[C@@H](C)C#N 1391288239 VIKLIKSTKDIONB-UWVGGRQHSA-N 307.354 -0.634 30 20 DBED COC[C@@H](C)C(=O)N1CCN(CCNC(=O)[C@H](C)C#N)CC1 1396888350 HECBPCKVWVJKNT-CHWSQXEVSA-N 310.398 -0.311 30 20 DBED C=C(Cl)CNC[C@H](O)CNC(=O)c1nc2ncccn2n1 1401582620 OCLSPAROGBJYSZ-VIFPVBQESA-N 310.745 -0.443 30 20 DBED Cc1cnc(C(=O)NCCn2cc(C#N)c(O)nc2=O)cn1 1412372583 JLTTWODYKHVSHR-UHFFFAOYSA-N 300.278 -0.651 30 20 DBED CCn1cc(CNC(=O)CCn2cc(C#N)c(O)nc2=O)cn1 1412933382 UDRLHEOODXFKRI-UHFFFAOYSA-N 316.321 -0.257 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N[C@@H]2CCN(CC(F)F)C2)CCO1 1413378433 SPNBZKPGKRGTMR-NXEZZACHSA-N 324.353 -0.615 30 20 DBED N#C[C@H]1CN(S(=O)(=O)N[C@@H]2CCN(CC(F)F)C2)CCO1 1413378449 SPNBZKPGKRGTMR-ZJUUUORDSA-N 324.353 -0.615 30 20 DBED C[C@H](C#N)C(=O)NCCN1CCN(C(=O)Cc2cc[nH]n2)CC1 1414757266 PBZNQNOHGMPYQJ-GFCCVEGCSA-N 318.381 -0.628 30 20 DBED COC(=O)NCC(=O)NC[C@@H](C)CNC(=O)c1ccc(C#N)[nH]1 1416435355 OUKLFNMYGJHSLZ-SECBINFHSA-N 321.337 -0.276 30 20 DBED CCN(CCCN(C)C)C(=O)Cn1cc(C#N)c(O)nc1=O 1417716227 ZNAHCDZJERPIEY-UHFFFAOYSA-N 307.354 -0.379 30 20 DBED CC(C)c1nnnn1CC(=O)NC[C@@H](C)N(C)C(=O)[C@H](C)C#N 1426664639 LPJKZSOGVXTULD-GHMZBOCLSA-N 321.385 -0.081 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]1CN(C)C(=O)CCn1cncn1 1426730095 CNPTXKLYAWSHLC-NEPJUHHUSA-N 304.354 -0.113 30 20 DBED CC1CCN(CC(=O)N(C)C[C@@H](O)CNC(=O)[C@H](C)C#N)CC1 1428249363 VLKIUTUXPMGAPD-KGLIPLIRSA-N 324.425 -0.187 30 20 DBED CC(C)[C@@H](CNC(=O)C1(NC(N)=O)CC1)NC(=O)[C@@H](C)C#N 1431217736 BEMUHXVNJBWDSV-VHSXEESVSA-N 309.370 -0.396 30 20 DBED CC(C)[C@H](CNC(=O)CN1CCCNC1=O)NC(=O)[C@H](C)C#N 1433106870 POVKTOKGGBGUJI-NEPJUHHUSA-N 323.397 -0.182 30 20 DBED COC(=O)[C@@H]1CC(F)(F)CN1c1[nH]c(=O)n(C)c(=O)c1C#N 1434447405 MWSQTHMWEOIALQ-ZETCQYMHSA-N 314.248 -0.668 30 20 DBED CCc1noc(COCC(=O)NCCN(C)C(=O)[C@@H](C)C#N)n1 1449259436 LXMBIAFNFSWPKB-JTQLQIEISA-N 323.353 -0.117 30 20 DBED Cc1noc(CN(C)C(=O)Cn2cc(C#N)c(O)nc2=O)n1 1452652827 PTWSVVKWPXLZMQ-UHFFFAOYSA-N 304.266 -0.829 30 20 DBED COc1ncc(NC(=O)c2cnn(C[C@@H](O)CO)c2)cc1C#N 1471781651 RBTAMWBOHRLUHN-GFCCVEGCSA-N 317.305 -0.236 30 20 DBED CN(CCNC(=O)CCCn1cncn1)c1cncc(C#N)n1 1478266117 YUPOHAHITHDEDP-UHFFFAOYSA-N 314.353 -0.027 30 20 DBED Cc1nnc2n1C[C@@H](C(=O)N(C)CCNC(=O)[C@H](C)C#N)CC2 1496500475 IUORISCEWNHMCR-PWSUYJOCSA-N 318.381 -0.117 30 20 DBED C=CCCn1cc(C(=O)N2NC(=O)CC23CCNCC3)nn1 1522842375 QKWIMQXDUCPCEU-UHFFFAOYSA-N 304.354 -0.147 30 20 DBED Cc1cnc(C(=O)NC[C@]2(O)CCN(C(=O)[C@H](C)C#N)C2)cn1 1537292702 OQCXLETZGREIHK-MEBBXXQBSA-N 317.349 -0.362 30 20 DBED N#C[C@H]1CN(S(=O)(=O)N[C@H]2CCCC[C@H]2C(=O)O)CCO1 1574241752 PILUGTKYAHEUNI-AXFHLTTASA-N 317.367 -0.311 30 20 DBED N#Cc1cn(CCNC(=O)[C@@H](C(=O)O)C2CC2)c(=O)nc1O 1574493816 RNUXLLVBNBSYQC-VIFPVBQESA-N 306.278 -0.952 30 20 DBED COC[C@]1(C)CN(c2cnc(-c3nn[nH]n3)c(C#N)n2)CCO1 1579739647 FGERBGPSWGFEGI-ZDUSSCGKSA-N 316.325 -0.230 30 20 DBED C#CC[C@H](CO)NC(=O)[C@H](O)c1ccc(-c2nn[nH]n2)cc1 1588332170 WKPQXLIETHNZGO-VXGBXAGGSA-N 301.306 -0.600 30 20 DBED C#CCN(CC(=O)O)c1nnc(C2(CO)CCOCC2)n1CC 1588426899 GBJUYHOLEJYRAB-UHFFFAOYSA-N 322.365 -0.137 30 20 DBED C#CCC1(NS(=O)(=O)N(C)CCC(=O)O)CCOCC1 1588427616 GCSYRFNEYITCRP-UHFFFAOYSA-N 304.368 -0.200 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CC[C@](OC)(C(=O)O)C1 1588692901 MNXLDTYVBCMBKG-NOZJJQNGSA-N 300.311 -0.994 30 20 DBED CO[C@@H](Cn1c(N)nc(C#N)c1-c1nn[nH]n1)[C@@H]1CCOC1 1591334866 XAOACWITXNAQPS-APPZFPTMSA-N 304.314 -0.431 30 20 DBED CS(=O)(=O)N1CC(Cn2cc(C(=O)O)cc(C#N)c2=O)C1 1599754340 QQNOHQZMXFYQSR-UHFFFAOYSA-N 311.319 -0.690 30 20 DBED Cc1c(NC(=O)C(=O)N2CCC(C#N)CC2)cnn1CC(=O)O 1600025935 YJTZCXJVVKEDES-UHFFFAOYSA-N 319.321 -0.023 30 20 DBED O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CC2CC1(C(=O)O)C2 1609031822 OFGCOTMSWAXONG-SEYXRHQNSA-N 319.317 -0.022 30 20 DBED CC#CCN1CC[C@H](NC(=O)C(C)(C)NS(C)(=O)=O)C1 1713087374 ZABPJAHXRXNFHV-NSHDSACASA-N 301.412 -0.472 30 20 DBED C=CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)CCc2nc[nH]n2)C1 1713146528 LPHOBYWNEBXTPL-RYUDHWBXSA-N 320.397 -0.382 30 20 DBED C[C@@H](CNC(=O)c1cnn2c1CCCC2)NCC(=O)NCC#N 1752910306 CXLDGUNDXYFTJT-NSHDSACASA-N 318.381 -0.433 30 20 DBED CNC(=O)NC(=O)CN1C[C@@H]2C[C@H]1CN2C(=O)C#CC(C)C 1753420698 HXBJIQSUPDSGNB-RYUDHWBXSA-N 306.366 -0.614 30 20 DBED C#CCNC(=O)[C@@H](C)NC/C=C\CNC(=O)c1ccc(O)nc1 1754201625 IBRPWYUEGYQHIW-QMAVJUDZSA-N 316.361 -0.199 30 20 DBED C#CCNC(=O)CNC[C@H](C)NC(=O)c1c[nH]c2nccc-2c1 1754271410 PTZVUWQOMZNPOS-NSHDSACASA-N 313.361 -0.028 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2cnccn2)[C@@H](C)C1 1754588725 AZDYEAYMLNWIKE-QWHCGFSZSA-N 315.377 -0.191 30 20 DBED C#CCN[C@@]1(CO)CCCN(C(=O)[C@H](NC(N)=O)C(C)(C)C)C1 1755091129 VCKFZPLWKBMKOW-LRDDRELGSA-N 324.425 -0.354 30 20 DBED C#CCNC(=O)CN(C)[C@@H](C)CNC(=O)[C@H]1CCCOCC1 1755297387 AAOGTVXFVDDFCA-KBPBESRZSA-N 309.410 -0.011 30 20 DBED C#CCCNC[C@H](C1CC1)N(C)C(=O)CN1C(=O)CN(C)C1=O 1755570979 AMHMSWBIEBNRLY-CYBMUJFWSA-N 320.393 -0.270 30 20 DBED C=C(C)CN[C@H]1C[C@@H](C)N(C(=O)CNS(=O)(=O)NC)C1 1755683812 CKMAOVMQNZJUNF-MNOVXSKESA-N 304.416 -0.805 30 20 DBED C=CCNC[C@@H]1CC[C@@H](NC(=O)CN2CCN(C)C(=O)C2)C1 1755737194 GFDAISVHAIMFDD-ZIAGYGMSSA-N 308.426 -0.179 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@H](NCC(=O)NCC)C(C)(C)C1 1755759600 UZRKRFKVGNVUHM-STQMWFEESA-N 309.410 -0.013 30 20 DBED C=CCNC[C@@H](O)CN(C)C(=O)c1cnc2c(c1)nnn2C 1755783189 MQNNLVSYMVQPNV-LLVKDONJSA-N 304.354 -0.428 30 20 DBED C#CCOCCC(=O)N(C)C1CC(NC(=O)c2cnnn2C)C1 1756740983 DGFCQKRUPGRUOB-UHFFFAOYSA-N 319.365 -0.426 30 20 DBED CC(C)C#CC(=O)N1CC2(CCN(C(=O)CCNC(N)=O)C2)C1 1756831178 CSLMKPSFBIUQIV-UHFFFAOYSA-N 320.393 -0.235 30 20 DBED CC(C)[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN)C2 1793382992 HSTOABBHJGPMQX-LFSVMHDDSA-N 315.439 -0.511 30 20 DBED N#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc[nH]n1 1793503089 PWKKFTBRILXEDQ-GNXNZQSNSA-N 317.349 -0.083 30 20 DBED C=CCNC(=O)NC(=O)CN1C(=O)N[C@@]2(CCSC2)C1=O 22832025 UDNDJJSWCYQOFI-GFCCVEGCSA-N 312.351 -0.574 30 20 DBED CCCN(CC#N)CC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O 103469509 CUFFXIXGXDDXES-UHFFFAOYSA-N 305.338 -0.128 30 20 DBED N#C[C@H]1COCCN1C(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1 268062753 AODSEVHUMGPZMQ-JOYOIKCWSA-N 322.346 -0.533 30 20 DBED C=CCNC(=O)CNC(=O)Cc1cccc(OCC(=O)NC)c1 272000796 VMWHPNGECWMHFT-UHFFFAOYSA-N 319.361 -0.228 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCCC[C@@H]2[C@H](C)O)C1=O 272279784 UKGCMUHHENJGJX-WDEREUQCSA-N 323.349 -0.275 30 20 DBED C=C[C@H](CO)NC(=O)c1cc(S(N)(=O)=O)ccc1OC 290711819 WVWCAZDMTUFEIX-MRVPVSSYSA-N 300.336 -0.381 30 20 DBED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2C[C@@H](O)C2)c1 298261483 GLTCGFYNDMGMAB-TXEJJXNPSA-N 308.359 -0.149 30 20 DBED Cc1nc([C@@H]2CN(/C(O)=N/[C@@H]3CC(=O)N(C)C3)CCO2)n[nH]1 330137350 NQXONBQXEPSZMR-ZJUUUORDSA-N 308.342 -0.369 30 20 DBED CCN(C)C(=O)C/N=C(/O)N1CC[C@@H](CS(C)(=O)=O)C1 331132928 BNKQLEWBVCLOCC-SNVBAGLBSA-N 305.400 -0.255 30 20 DBED COCC(=O)NC1CN(S(=O)(=O)c2cnc(C)c(C#N)c2)C1 331964642 MECVHSSPJKIWSW-UHFFFAOYSA-N 324.362 -0.603 30 20 DBED C[C@H](O)C[C@H]1CCCN1S(=O)(=O)N1CCO[C@@H](C#N)C1 336955352 YITBMIIFXGKUFF-TUAOUCFPSA-N 303.384 -0.309 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)NC[C@H]2CCC[C@H](O)C2)CCO1 337057236 CYENYKBVZXGMIP-SDDRHHMPSA-N 303.384 -0.404 30 20 DBED CCn1cc(S(=O)(=O)N2CCOC[C@@H]2C#N)c([N+](=O)[O-])n1 339042364 RUZWDAOHSUUHAY-QMMMGPOBSA-N 315.311 -0.276 30 20 DBED N#C[C@H]1CSCCN1C(=O)c1ccc(S(N)(=O)=O)nc1 342214800 YQUZQIGUVAAQJU-VIFPVBQESA-N 312.376 -0.190 30 20 DBED C=CCNC(=O)CNC(=O)NCCS(=O)(=O)N(CC)CC 346738871 BWTPMTBGGKWTBY-UHFFFAOYSA-N 320.415 -0.741 30 20 DBED C=CCOC[C@@H]1NC(=O)N(CC2CCS(=O)(=O)CC2)C1=O 348493782 LBKSJSAPRDCGQO-NSHDSACASA-N 316.379 -0.066 30 20 DBED COc1cc(C#N)ccc1OCCCC(=O)N[C@@H](CO)C(N)=O 352987169 JTFKFHUCBIKVEH-NSHDSACASA-N 321.333 -0.312 30 20 DBED COC(=O)C[C@@H]1CN(C(=O)NCCn2cnc(C#N)n2)CCO1 357859704 KGTNZFVVZLIVHR-SNVBAGLBSA-N 322.325 -0.877 30 20 DBED CNS(=O)(=O)c1cc(C(=O)N2CCOC[C@@H]2C#N)c(C)o1 408244478 BXALLERXVBZKGL-VIFPVBQESA-N 313.335 -0.139 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N[C@H]2CCC[C@H]2CN)nn1 424541115 HEERQUFCKWSHDE-JQWIXIFHSA-N 306.370 -0.676 30 20 DBED C=C[C@@H]1OCCC[C@H]1N=c1[nH]c(=NCCO)[nH]c(=NC(C)C)[nH]1 450802519 HRRCRKJWXRUFEX-NEPJUHHUSA-N 322.413 -0.493 30 20 DBED N#Cc1ccc(S(=O)(=O)N2CCO[C@H](C(N)=O)C2)cc1F 489189680 KSADLKZBIJVFMG-NSHDSACASA-N 313.310 -0.428 30 20 DBED C#CCN1CCN(C(=O)Cn2nc(Cl)sc2=O)CC1 491339457 QCJKBVIZZLUYLE-UHFFFAOYSA-N 300.771 -0.264 30 20 DBED C#C[C@H](C)N(C)C(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 491359934 BYYYLYUUPWZVPF-JTQLQIEISA-N 317.349 -0.696 30 20 DBED C#CCN1CCN(C(=O)Cn2nc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 491515725 PHTAUDWYXGZYOT-UHFFFAOYSA-N 322.281 -0.523 30 20 DBED C#CCN1CCN(C(=O)CN(CC(F)F)C[C@H](C)O)CC1 491723602 CRFNVLFQVISFEM-LBPRGKRZSA-N 303.353 -0.288 30 20 DBED N#CCCCOc1cccc(NC(=O)C(=O)NC[C@H](O)CO)c1 527351457 PTRSHXOHQWXPFD-LBPRGKRZSA-N 321.333 -0.223 30 20 DBED C[C@H](C#N)CNS(=O)(=O)c1cnc2nc(O)nc(O)c2c1 531212865 VFTAQZOCGFCDTM-ZCFIWIBFSA-N 309.307 -0.126 30 20 DBED CCOC(=O)CN(CC)S(=O)(=O)N(CCC#N)CCOC 548758731 IIJZZYONQNYSKM-UHFFFAOYSA-N 321.399 -0.022 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(CC[C@@H]2CCNC2)c1=O 582541783 PYNYDQXZRLVQGM-LBPRGKRZSA-N 306.366 -0.457 30 20 DBED C[C@H](C(=O)N1CC(C#N)C1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 590485887 QERMAJBEFNGWPI-YNVCDSSISA-N 303.318 -0.481 30 20 DBED N#Cc1sccc1N1CCN(C(=O)Cn2cnnn2)CC1 597935068 PUUHYQXHNMAEIT-UHFFFAOYSA-N 303.351 -0.045 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2C[C@H](C(=O)OC)C2)C1=O 598519441 DPJKZOZJDOBDTC-KYZUINATSA-N 323.305 -0.969 30 20 DBED COCCN(CCC#N)CC(=O)NC(=O)N[C@@H](C)COC 610391875 ZJIZZZFIJPNOIR-NSHDSACASA-N 300.359 -0.291 30 20 DBED C=CCn1cc(C(=O)NCCCN2CCCS2(=O)=O)nn1 648760989 ZUKATXULTZXPSV-UHFFFAOYSA-N 313.383 -0.381 30 20 DBED C#Cc1ccc(C(=O)N2CCN(CCS(N)(=O)=O)CC2)cn1 748373380 YFTVLZJHLNSNNW-UHFFFAOYSA-N 322.390 -0.891 30 20 DBED C#CCNC(=S)NCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 758245985 IRKSUOGBSVXGAF-BJDJZHNGSA-N 303.387 -0.109 30 20 DBED C#C[C@@H](C)NC(=O)N1CCN(S(=O)(=O)N(CC)CC)CC1 773601805 LQEIXIQOYYJVHS-GFCCVEGCSA-N 316.427 -0.078 30 20 DBED C=CCS(=O)(=O)CCNC(=O)NCC(=O)N(CC)CC 782998447 GYSIMBTWXSAESO-UHFFFAOYSA-N 305.400 -0.245 30 20 DBED NC(=O)CNC(=S)NN=Cc1ccccc1-n1cncn1 814845263 VFZWXQHNPICYHV-UHFFFAOYSA-N 303.351 -0.449 30 20 DBED C=C[C@H](O)C(=O)NC[C@@H](NC(=O)[C@H](O)C=C)c1ccc(C)o1 831244008 VADROAVMKYUNRE-GRYCIOLGSA-N 308.334 -0.045 30 20 DBED C#CC[C@H](CCOC)NC(=O)N1CCN(CC(=O)NCC)CC1 859025832 BORZZLWHQKJCLB-CQSZACIVSA-N 324.425 -0.122 30 20 DBED CON(C)C(=O)[C@@H](C)NC(=O)CNC(=O)c1ccc(C#N)cc1 863708003 OHJUFNLYZPLBDG-SNVBAGLBSA-N 318.333 -0.187 30 20 DBED CCN(C[C@@H](C)C#N)C(=O)CN1C[C@H]2C(=O)N(C)C(=O)[C@H]2C1 879534887 XPMVIEYGVBIQIQ-SDDRHHMPSA-N 306.366 -0.459 30 20 DBED CN1CCN(C(=O)C(=O)NC2CCN(CC#N)CC2)CC1(C)C 897688057 IICPDVXFGPUEBO-UHFFFAOYSA-N 321.425 -0.357 30 20 DBED N#Cc1ccccc1OC[C@H](O)CNCCN1CCNC1=O 905480479 HGKVAPRAAKEWPF-CYBMUJFWSA-N 304.350 -0.087 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)CCn1ccccc1=O 919254015 AFIXKXUHYDVDAV-UHFFFAOYSA-N 307.306 -0.207 30 20 DBED C=CCOc1cccnc1C(=O)N[C@H]1CCN(C(=O)C(N)=O)C1 938904515 OCGOWOSTSKAHIY-JTQLQIEISA-N 318.333 -0.538 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](N(C)C(=O)c2cc(=O)n(C)cn2)C1 939408849 CFFAEKDKLLXEHB-QWRGUYRKSA-N 317.349 -0.387 30 20 DBED C[C@@H](C#N)C(=O)N1CCCN(C(=O)[C@@H]2CCC(=O)N2C)CC1 941956842 CBUBBBKIELRIGX-RYUDHWBXSA-N 306.366 -0.172 30 20 DBED Cn1ncc(C(=O)N2CC[C@H]2CNC(=O)c2ccc(C#N)[nH]2)n1 949451763 ABOLQTFIGJDXAD-JTQLQIEISA-N 313.321 -0.341 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2CCN2C(=O)CC(C)(C)O)nn1 950053398 VWTSOSASTWKWTR-NSHDSACASA-N 321.381 -0.044 30 20 DBED CN(C(=O)c1c[nH]c(C#N)c1)C1CN(C(=O)Cn2cncn2)C1 954108047 KADMAKQEGSMIOC-UHFFFAOYSA-N 313.321 -0.539 30 20 DBED COc1nn(C)cc1C(=O)N(C)C1CN(C(=O)[C@@H](C)C#N)C1 954951744 FHYKDNNUCDGTIC-VIFPVBQESA-N 305.338 -0.129 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2cncc3ncn(C)c23)C1 958153611 VNMPCCCGBJFYHM-BXUZGUMPSA-N 313.361 -0.376 30 20 DBED Cn1cnnc1CN1C[C@@H]2C(NC(=O)c3c[nH]c(C#N)c3)[C@H]2C1 958586283 HLUCQGLSBPGZIU-RYUDHWBXSA-N 311.349 -0.125 30 20 DBED C=CCN1C[C@@H](O)[C@H](CNC(=O)c2ccc(N(C)C)nn2)C1 958597814 GFWTVFOZDZPEKR-DGCLKSJQSA-N 305.382 -0.249 30 20 DBED C#Cc1cncc(C(=O)N[C@H]2[C@@H]3CN([C@@H](CC)C(N)=O)C[C@@H]32)c1 961723901 UIIKURBULXLPKW-LJISPDSOSA-N 312.373 -0.013 30 20 DBED N#CCN1C[C@H]2C(NC(=O)c3ccc(-n4ccnc4)nn3)[C@@H]2C1 962021765 QHDCNFWJEGOHIW-GHMZBOCLSA-N 309.333 -0.154 30 20 DBED C=C(C)CN1C[C@H]2C(NC(=O)CN3C(=O)NC(=O)C3(C)C)[C@@H]2C1 962188317 DAUPOCQIAVQZKV-GHMZBOCLSA-N 320.393 -0.061 30 20 DBED C=C(C)CN1C[C@H]2[C@H](NC(=O)[C@H]3CN(C(C)=O)CCO3)[C@H]2C1 962438030 MTVQFPJBHOPBKI-BARDWOONSA-N 307.394 -0.144 30 20 DBED N#Cc1cc(C(=O)N2CCC[C@H]3CN(C(=O)C(N)=O)C[C@H]32)c[nH]1 963730194 HFZPDNLSWIDCIG-JOYOIKCWSA-N 315.333 -0.565 30 20 DBED CO[C@@H](C)C(=O)N1CCN(C2CN(C(=O)[C@@H](C)C#N)C2)CC1 967194060 LWVYJTFFXBHAIE-RYUDHWBXSA-N 308.382 -0.464 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](NCc2cc(=O)n3nccc3[nH]2)C1 967943254 HOXNUYHUNCIKLN-GHMZBOCLSA-N 314.349 -0.127 30 20 DBED CCN1C[C@@H](C(=O)N2CC[C@@]3(CN(CC#N)CCO3)C2)CC1=O 972408459 OTGYXTQYIIPUJG-XJKSGUPXSA-N 320.393 -0.318 30 20 DBED C=CCN1CCO[C@]2(CCN(C(=O)CN3CCOCC3=O)C2)C1 972413858 QOQWDRUBXSUWLO-MRXNPFEDSA-N 323.393 -0.666 30 20 DBED CN1C(=O)CCC[C@@H]1C(=O)N1CC[C@]2(CN(CC#N)CCO2)C1 972659929 QKYQIVWRJVEHIX-CJNGLKHVSA-N 320.393 -0.176 30 20 DBED COCCN1C[C@@H](C(=O)N[C@H]2CN(CC#N)CC2(C)C)CC1=O 974642930 MWPFCLAIZSSSSW-STQMWFEESA-N 322.409 -0.169 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)c3c[nH]c(=O)cn3)[C@@H]2C1 974929674 HGVDURCPFROSAA-CKYFFXLPSA-N 315.333 -0.398 30 20 DBED CO[C@H]1C[C@H](C(=O)NCC2[C@H]3CN(CC#N)C[C@H]23)N(C(C)=O)C1 978528222 UHWOFVGZWBXSCI-ZGKBOVNRSA-N 320.393 -0.560 30 20 DBED C=CCN[C@@H]1CCC[C@H](NC(=O)CN2CCN(C)C(=O)C2)C1 981182240 PPOFHUCPFKZXRG-KGLIPLIRSA-N 308.426 -0.037 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)c3cnn(C)n3)C[C@@H]2C1 986393253 OBVYETBWCIMDDD-TUAOUCFPSA-N 316.365 -0.105 30 20 DBED C=CCn1cc(C(=O)NC2CN(C(=O)c3ccnn3C)C2)nn1 991674434 XNDKBSBSCHEUFW-UHFFFAOYSA-N 315.337 -0.548 30 20 DBED C#Cc1ccccc1CC(=O)N1CC(NC(=O)Cn2nccn2)C1 991945291 KNYFGNCVXRGSJQ-UHFFFAOYSA-N 323.356 -0.171 30 20 DBED C[C@@H]1[C@H](NC(=O)CN2CC(=O)N(C)C2=O)CCCN1CC#N 994208367 IBGQAOHZVPTUEV-GHMZBOCLSA-N 307.354 -0.627 30 20 DBED C[C@H](C#N)C(=O)N1CC(NC(=O)[C@@H]2CCCCN(C)C2=O)C1 996385327 WKMWPOVKNUPXEE-PWSUYJOCSA-N 306.366 -0.268 30 20 DBED C=CCN[C@H]1CCCN(C(=O)c2cc(=O)n3[nH]cnc3n2)C1 1000694232 KLNIYOSBEXZHKI-JTQLQIEISA-N 302.338 -0.202 30 20 DBED O=C1NC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C#CC2CC2)N1 1005640123 JAXIOKMDFSMXOH-LPWJVIDDSA-N 316.361 -0.671 30 20 DBED C[C@H](NC(=O)c1ccc(C(N)=O)[nH]1)C1CN(C(=O)[C@H](C)C#N)C1 1006875076 AOKLIYDUITXIPE-BDAKNGLRSA-N 317.349 -0.150 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@]2(CCN(C(=O)c3nc[nH]n3)C2)C1 1007695317 UYMDKUQGYWTKGD-YGRLFVJLSA-N 318.337 -0.592 30 20 DBED CC#CCN1CCC[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)C1 1009202388 JSKJUIMVDGIEHH-NSHDSACASA-N 314.349 -0.365 30 20 DBED C=CCN1CCC[C@H](NC(=O)CN2CCS(=O)(=O)CC2)C1 1009493875 IFKFZQVUOKLJHX-ZDUSSCGKSA-N 315.439 -0.517 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C(=O)C[C@H]2CCCC(=O)N2)CC1 1011743218 WMYHAIYGSQZNSF-NWDGAFQWSA-N 306.366 -0.124 30 20 DBED C=C(C)CN[C@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)C1 1019650185 CEJORMYZNVXBGL-JTQLQIEISA-N 302.338 -0.202 30 20 DBED C=CCn1cc(C(=O)N2CCO[C@@H]3CCN(C(C)=O)C[C@H]32)nn1 1019819390 OWFKTPNYQSGEEL-ZIAGYGMSSA-N 319.365 -0.074 30 20 DBED Cc1nc(C)c(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2O)o1 1023284769 LTTDRWYVYDQXTM-WHGOUJPWSA-N 306.322 -0.247 30 20 DBED C=C1CC(C)(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CCN(C)C3)C2)C1 1023783268 GETACZOHRLKCMT-BFHYXJOUSA-N 321.421 -0.018 30 20 DBED C=CCN[C@@H]1CC[C@@H]2CN(C(=O)Cn3ccc(O)nc3=O)C[C@@H]21 1026305793 DBFQQKPLVVCDIN-FRRDWIJNSA-N 318.377 -0.039 30 20 DBED C#CCN[C@@H]1CC[C@@H]2CN(C(=O)C3CC(=O)NC(=O)C3)C[C@H]21 1026374700 INCWHABUFAMJMS-RAIGVLPGSA-N 303.362 -0.501 30 20 DBED C=CCN1CCCC[C@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)C1 1034428801 PFOBBSYMBDUTFH-NSHDSACASA-N 322.365 -0.436 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@]1(O)CCN(C(=O)c2ccon2)C1 1039722494 WUBOIBIWKYUKJA-XHDPSFHLSA-N 321.333 -0.594 30 20 DBED Cc1cnn(CC(=O)N2CC[C@](O)(CNC(=O)[C@@H](C)C#N)C2)c1 1040764521 WVIBOPMZGAACTD-WFASDCNBSA-N 319.365 -0.569 30 20 DBED C=CCCCC(=O)N1CC[C@@](O)(CNC(=O)Cn2cncn2)C1 1040961262 BGFKYVBMJXKSST-OAHLLOKOSA-N 321.381 -0.286 30 20 DBED C[C@@H]1CC[C@H](C(=O)N[C@@H]2CN(c3cncc(C#N)n3)C[C@H]2O)O1 1041360288 SVNCUPFHMQLOQJ-OJAKKHQRSA-N 317.349 -0.419 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)Cc2[nH]cnc2C)C1 1041956233 BLRIYRUJNBJVOR-UHFFFAOYSA-N 306.366 -0.084 30 20 DBED N#CCN1CC[C@@H]2CCN(C(=O)CC3CS(=O)(=O)C3)C[C@@H]21 1042124107 ZCRJTGYKRHIPBU-OLZOCXBDSA-N 311.407 -0.133 30 20 DBED C#CCNC(=O)CC(=O)NCC1(O)CN(C(=O)[C@H](C)C(C)C)C1 1042679454 PZMVNZLWTNRENB-GFCCVEGCSA-N 323.393 -0.893 30 20 DBED C[C@@H]1CN(C(=O)Cc2nc[nH]n2)C[C@H]1Nc1cncc(C#N)n1 1043325413 VFXCERIGVIXMNL-MWLCHTKSSA-N 312.337 -0.032 30 20 DBED C=CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)[C@H](C)OCC)C1 1043571191 MLRCDPLVEXKEPM-NEPJUHHUSA-N 314.382 -0.308 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CN(c3ccnc(C#N)n3)C[C@@H]2O)c1 1043886212 GBFBUUMAPCQPGV-NEPJUHHUSA-N 323.316 -0.472 30 20 DBED C#CCCN1CC[C@@H](N2CCN(C(=O)[C@H]3CCNC3=O)CC2)C1 1046049279 MOZIOVOPZQHFCP-CABCVRRESA-N 318.421 -0.636 30 20 DBED N#CCN1C[C@H]2C[C@H](NC(=O)CN3CCC(=O)NC3=O)C[C@H]1C2 1047181135 RKCYGIPTXBVUEJ-SDDRHHMPSA-N 319.365 -0.579 30 20 DBED CN(C(=O)[C@H]1CCCc2c[nH]nc21)[C@H]1CN(CC#N)C[C@@H]1O 1047381332 JHZCDCRFPFZGFE-AVGNSLFASA-N 303.366 -0.143 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](CC)OC)C1 1048506378 PEOPLEYDFXCEJD-RWMBFGLXSA-N 314.382 -0.356 30 20 DBED C=C(C)CCC(=O)N(C)[C@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1O 1048937371 HWLJSAUWXKXLSR-QWRGUYRKSA-N 307.354 -0.195 30 20 DBED CC#CCN1C[C@H]2CN(C(=O)[C@@H]3CN(C(C)=O)CCO3)C[C@H]2C1 1049195213 AKUDXYSFVHXNQA-XHSDSOJGSA-N 319.405 -0.353 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cc2cnc[nH]2)C1 1049630926 FPNQAJOFKOLGFV-KBPBESRZSA-N 318.377 -0.358 30 20 DBED C#CCCN1CCOC[C@H]1CNC(=O)c1ccn2nnnc2c1 1051062606 YARFBCIWKXYLFA-CYBMUJFWSA-N 314.349 -0.422 30 20 DBED C[C@H](NC(=O)C#CC1CC1)[C@H]1CCN(C(=O)c2nnn(C)n2)C1 1051342053 MOWYWMOFDRFPIV-JQWIXIFHSA-N 316.365 -0.410 30 20 DBED C=CCN1CC[C@H](NC[C@H]2CN(C(=O)COC)CCO2)C1=O 1051376233 NYFUSNSRUVKCFW-STQMWFEESA-N 311.382 -0.763 30 20 DBED N#CCN1CCN([C@H]2CCN(C(=O)Cc3ncc[nH]3)C2)CC1 1052101796 WFCRAAVYMJJFON-ZDUSSCGKSA-N 302.382 -0.306 30 20 DBED C=CCn1cc(C(=O)N2C[C@H](CNC(=O)COC)[C@@H](C)C2)nn1 1052620353 YPCVZUAVQHMSLG-RYUDHWBXSA-N 321.381 -0.065 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)CCN1CCCC1=O)CCO2 1053536046 HNOGQUCJIOPEKK-UHFFFAOYSA-N 319.405 -0.065 30 20 DBED C#CCN1CCC(C(=O)N2CCOC3(CN(CCO)C3)C2)CC1 1053541430 YBFLCXTYALXHSX-UHFFFAOYSA-N 321.421 -0.763 30 20 DBED CC#CCN1CC2(CC[C@@H](CNC(=O)[C@@H]3COCCO3)O2)C1 1053578435 GNAJKXMFWVLBGO-KBPBESRZSA-N 308.378 -0.225 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)c3cn(CC=C)nn3)CO2)C1 1053949644 MIXJAABTBAUHNS-GFCCVEGCSA-N 301.350 -0.330 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)Cn3ccccc3=O)CO2)C1 1054004799 WZPZSZPQEHPHAZ-AWEZNQCLSA-N 315.373 -0.169 30 20 DBED C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1NCc1nnnn1C 1054576519 VPWGAKVXAVRSHM-SKDRFNHKSA-N 314.353 -0.340 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1NCCN1C(=O)CNC1=O 1054647450 BXBZJVBPVZVXIU-YPMHNXCESA-N 318.377 -0.612 30 20 DBED CN1CC[C@@H](C(=O)N2CCN(c3nccnc3C#N)CC2)C1 1055818809 ZGEGPYXMMZICDS-GFCCVEGCSA-N 300.366 -0.051 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@]1(CO)CCCN(C(=O)C2CC2)C1 1055947469 QDFBCEMHKRKIEU-WBMJQRKESA-N 308.378 -0.096 30 20 DBED C[C@@H]1OCCO[C@@H]1C(=O)N1CCN(c2cnc(C#N)cn2)CC1 1056067639 PNZFRGWZVBXCPN-FZMZJTMJSA-N 317.349 -0.199 30 20 DBED N#Cc1nc(=N[C@@H]2CCN(C(=O)C3=COCCO3)C2)cc[nH]1 1056557108 RNFXMGHBYQYMCZ-SNVBAGLBSA-N 301.306 -0.329 30 20 DBED N#Cc1nc(=N[C@@H]2CCN(C(=O)[C@H]3CCC(=O)N3)C2)cc[nH]1 1056591047 RUYZPDSMUWRUHR-NXEZZACHSA-N 300.322 -0.938 30 20 DBED N#Cc1nc(=N[C@@H]2CCN(C(=O)CCc3nc[nH]n3)C2)cc[nH]1 1056604181 YUMKAFNWESIZRG-SNVBAGLBSA-N 312.337 -0.466 30 20 DBED COC(=O)[C@@H]1C[C@H]1C(=O)NCCN(CCO)C(=O)C#CC(C)C 1057516975 FZHAQMSLSJVJOI-CHWSQXEVSA-N 324.377 -0.608 30 20 DBED Cn1ncc(C(=O)N2CCC[C@@H](N=c3cc[nH]c(C#N)n3)C2)n1 1057663726 IJIYIJAFFFDXJE-SNVBAGLBSA-N 312.337 -0.385 30 20 DBED N#Cc1ccc(N2CCC(NC(=O)[C@@H]3CNC(=O)N3)CC2)nc1 1057935850 QOJZCUDLICSUCW-LBPRGKRZSA-N 314.349 -0.280 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)Cc1cncn1C 1058159307 DIOGXHFJUAEHMH-NSHDSACASA-N 307.354 -0.941 30 20 DBED C=C(C)C(C)(C)C(=O)N(CCO)CCNC(=O)c1ncn(C)n1 1058286346 LKQFWDJZYMFAGI-UHFFFAOYSA-N 323.397 -0.032 30 20 DBED Cc1n[nH]c(C)c1C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N 1058366879 VYWINXLJTWVOQF-VIFPVBQESA-N 307.354 -0.263 30 20 DBED Cc1[nH]nc(C(=O)NCCN(CCO)C(=O)[C@H](C)C#N)c1O 1058652596 AZZIQBIADDGLPA-MRVPVSSYSA-N 309.326 -0.866 30 20 DBED N#Cc1cnc(N[C@H]2C[C@H](NC(=O)[C@@H]3CC[C@@H]3C(N)=O)C2)cn1 1059368383 QRARRQHBOMYXPJ-FSZOTQKASA-N 314.349 -0.081 30 20 DBED CC(C)C#CC(=O)N1CC[C@@H](CCNC(=O)Cn2cnnn2)C1 1059608796 JZSQFTYZSKIPGQ-CYBMUJFWSA-N 318.381 -0.313 30 20 DBED C=CCCC(=O)NCC[C@@H]1CCN(C(=O)Cn2ncnn2)C1 1059695781 SPKGGZYUFAQADU-GFCCVEGCSA-N 306.370 -0.006 30 20 DBED N#CCSCC(=O)NC[C@@H]1COCCN1C(=O)c1cocn1 1061317630 ITDBZABPRVGXAH-SNVBAGLBSA-N 324.362 -0.111 30 20 DBED C=CCOCC(=O)NC[C@@H]1COCCN1C(=O)c1[nH]nnc1C 1061420270 XEADEGMEBRIZLO-LLVKDONJSA-N 323.353 -0.727 30 20 DBED C=CCO[C@H](C)C(=O)NC[C@H]1COCCN1C(=O)c1cnon1 1061668186 MROCDWSXWLSEOL-MNOVXSKESA-N 324.337 -0.382 30 20 DBED COCC1(C(=O)NC[C@@H]2COCCN2C(=O)[C@@H](C)C#N)CC1 1061703052 KKLKRRUTAKNGBR-NWDGAFQWSA-N 309.366 -0.084 30 20 DBED CCN(CC)CC(=O)N1CCOC[C@@H]1CNC(=O)[C@H](C)C#N 1061848884 WGNAZIIWANMNBB-OLZOCXBDSA-N 310.398 -0.169 30 20 DBED C#CCNC(=O)CC(=O)NC1(CNC(=O)[C@@H]2C[C@@H]2C)CCC1 1062436236 UTXTXWNYNZIRPW-NWDGAFQWSA-N 305.378 -0.063 30 20 DBED C#CCOCCC(=O)NC1(CNC(=O)[C@@H](C)NC(C)=O)CCC1 1062461982 NKEPWLJEXRAUSV-GFCCVEGCSA-N 323.393 -0.294 30 20 DBED N#Cc1cncc(N2C[C@@H]3C[C@H]2CN3C(=O)c2cnnc(O)c2)n1 1062537968 OKTHLLSGVJFNQQ-RYUDHWBXSA-N 323.316 -0.053 30 20 DBED C#CCOCCC(=O)NCC1(NC(=O)c2[nH]nnc2C)CCC1 1063042056 LPEFWNZJTLDITQ-UHFFFAOYSA-N 319.365 -0.078 30 20 DBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1(NC(=O)C(N)=O)CCC1 1063189319 VWYIHUHLBJVKAW-RYUDHWBXSA-N 323.393 -0.002 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)c2[nH]nnc2C)CCO1 1065414669 BQKVGJKXIYXIMX-LBPRGKRZSA-N 319.365 -0.126 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@H](CNC(=O)Cc2cncnc2)C1 1065556949 LTORIQDOFIONQH-WCQYABFASA-N 317.349 -0.478 30 20 DBED O=C(C#CC1CC1)N[C@H]1CCCN(C(=O)Cn2ncnn2)CC1 1066153244 QSJTUPWAUCSTNF-ZDUSSCGKSA-N 316.365 -0.416 30 20 DBED C=CCCOCC(=O)N[C@H]1CCCN(C(=O)CC(N)=O)CC1 1066266313 WVBFIRWPOYRHPM-LBPRGKRZSA-N 311.382 -0.048 30 20 DBED N#Cc1nccnc1N1CC[C@]2(CCCN(C(=O)C(N)=O)C2)C1 1066870334 WTEKGODOBMZMGQ-OAHLLOKOSA-N 314.349 -0.348 30 20 DBED C[C@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1N=c1cc[nH]c(C#N)n1 1067186035 BKOPYRGAXHQOBC-VHSXEESVSA-N 314.349 -0.706 30 20 DBED Cn1cc(C(=O)NC[C@H]2[C@@H]3CN(c4cnc(C#N)cn4)C[C@H]23)nn1 1068170112 ZULILNPLBLYWBX-CNDDSTCGSA-N 324.348 -0.411 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC2(C1)CN(C(=O)[C@H](C)C#N)CCO2 1068451093 GPCYUSMOPOPOGR-IUODEOHRSA-N 321.377 -0.087 30 20 DBED CCNC(=O)CC(=O)N[C@@H]1COC2(C1)CN(C(=O)[C@H](C)C#N)C2 1068820859 FHELIDXUSSPJAI-MNOVXSKESA-N 322.365 -0.842 30 20 DBED C=CCC(C)(C)C(=O)N[C@H]1COC2(C1)CN(C(=O)C(N)=O)C2 1068874383 ORRYXHTWFJNMSK-SNVBAGLBSA-N 309.366 -0.440 30 20 DBED Cc1n[nH]cc1C(=O)N1CC2(C[C@@H](NC(=O)[C@@H](C)C#N)CO2)C1 1069007666 JJZPJTKWOYSTFW-GXSJLCMTSA-N 317.349 -0.023 30 20 DBED C#CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H]2CCCO2)C1 1069892343 SYBSHVBFNMRTCC-HZSPNIEDSA-N 303.366 -0.178 30 20 DBED C#CCN[C@@H]1CN(C(=O)CCc2ncc[nH]2)C[C@@H]1n1ccnn1 1070185106 DWYHDAQBABBZLA-OLZOCXBDSA-N 313.365 -0.391 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)CCn2cncn2)C[C@H]1C 1071618179 URTBIPYDEZGEDS-CHWSQXEVSA-N 321.381 -0.166 30 20 DBED C=CCCC(=O)N1C[C@H](C)[C@@H](NC(=O)CN2CC(=O)NC2=O)C1 1071788029 UJOFZUQQVCXBQG-QWRGUYRKSA-N 322.365 -0.533 30 20 DBED CNC(=O)CC(=O)N[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1C 1071919036 VYYNQFNFRWBWNQ-CABZTGNLSA-N 317.349 -0.401 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@@H]1C 1072010082 GCOVEXANRCHQCO-WDEREUQCSA-N 307.354 -0.406 30 20 DBED C#CCCN1C[C@H](NC(=O)CN2C(=O)CN(C)C2=O)CC[C@@H]1C 1072054841 KTMIKURJRCJBIL-QWHCGFSZSA-N 320.393 -0.127 30 20 DBED C[C@@H](C(N)=O)N1CCCO[C@@H](CNC(=O)c2ccc(C#N)[nH]2)C1 1073574444 SAIVAOYFYWINDF-JQWIXIFHSA-N 319.365 -0.419 30 20 DBED CN1C(=O)CCC[C@@H]1C(=O)NC[C@H]1CN(CC#N)CCCO1 1073873646 GIDWGGGQAFVXRD-QWHCGFSZSA-N 308.382 -0.272 30 20 DBED CC(C)C#CC(=O)N1CC[C@H](NC(=O)Cn2ncnn2)[C@@H](C)C1 1073976961 IPFCJZCEFJTNHD-STQMWFEESA-N 318.381 -0.314 30 20 DBED C=CCOCC(=O)N1CC[C@H](NC(=O)c2nnn(C)n2)[C@H](C)C1 1074110778 WAGZZFLMLOAZDU-MNOVXSKESA-N 322.369 -0.621 30 20 DBED C[C@@H](CCNC(=O)C#CC(C)(C)C)NC(=O)Cn1cnnn1 1076433542 GEQFGTBLCLUEHM-NSHDSACASA-N 306.370 -0.266 30 20 DBED C#CCO[C@@H](C)C(=O)NCC[C@H](C)NC(=O)[C@H]1CCCC(=O)N1 1076510430 LOLBLGIXPKLTTO-RWMBFGLXSA-N 323.393 -0.296 30 20 DBED CC(C)(C)N1C[C@@H](C(=O)N[C@@H]2CN(CC#N)C[C@H]2O)CC1=O 1077089194 WUVMQOJWBDXFIT-QJPTWQEYSA-N 308.382 -0.682 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)c2cc(CN(C)C)on2)C1 1077274837 GHYZQUHFBMWNAW-ZIAGYGMSSA-N 306.366 -0.466 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CN(C/C=C/Cl)C[C@H]2O)nn1 1077801221 HTMDMFRGXBBCPO-ISBNUJHVSA-N 311.773 -0.009 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(Cc3ncccn3)C[C@H]2O)nc1 1078030422 YEGGQCVSNRMJBT-HUUCEWRRSA-N 323.356 -0.172 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCCCC(=O)N2)C1 1078082474 NPQNUQNNFKYOEQ-BFHYXJOUSA-N 307.394 -0.380 30 20 DBED CC#CCCCC(=O)N1CC(N(CC)C(=O)[C@H]2CNC(=O)N2)C1 1080386602 QTFNEOCAVPONET-CYBMUJFWSA-N 320.393 -0.079 30 20 DBED CC(C)C#CC(=O)NC1(CO)CCN(C(=O)c2cnn[nH]2)CC1 1080851864 FVUQYGPMWPSMIS-UHFFFAOYSA-N 319.365 -0.453 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)c2cn(CC)nn2)C[C@@H]1O 1081335767 PFSGSCWSPPHGLE-AAEUAGOBSA-N 321.381 -0.187 30 20 DBED CC#CCCCC(=O)NC[C@@H]1CN(C(=O)CC(=O)NC)C[C@H]1O 1081669708 WPYVEZNIRGCYOV-CHWSQXEVSA-N 323.393 -0.748 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)Cc1cn(C)nc1Cl 1082132443 BIIRVJVSZLFWDA-GHMZBOCLSA-N 311.773 -0.045 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CN(C)CCO1 1083035639 YEXLAWMGMYUFFA-ZNMIVQPWSA-N 307.394 -0.748 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)[C@H]2CN3CC4CC3(CO2)C4)C1 1083654958 NZWXTZNYPKMZGR-WCCAFZKYSA-N 321.421 -0.413 30 20 DBED C=CCn1cc(C(=O)N2C[C@H]3CCN(CCCO)C[C@H]32)nn1 1084708584 LBUJPNYFLUIRIZ-TZMCWYRMSA-N 305.382 -0.007 30 20 DBED C[C@@H]1CC2(CCN(CC#N)CC2)CN1C(=O)[C@@H]1CNC(=O)N1 1086940751 YZTPGQDVUUDVRX-NEPJUHHUSA-N 305.382 -0.106 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)CN3CCN(C)C(=O)C3)C[C@@H]2C1 1088019067 VPXMQJMPDAHTAP-CABCVRRESA-N 318.421 -0.826 30 20 DBED C=CCN1CC[C@H](NC(=O)[C@@H]2CCN(C)S2(=O)=O)[C@H]1C 1088913697 LFIUHMNPMOFXRS-WOPDTQHZSA-N 301.412 -0.215 30 20 DBED COc1c[nH]c(C(=O)N[C@H]2CCN(CC#N)C[C@@H]2O)cc1=O 1090432663 MBAXVKHUHMBDJR-CABZTGNLSA-N 306.322 -0.928 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cn(CC3CC3)nn2)[C@H](O)C1 1090684175 VVGBWYBQZIBXDI-GXTWGEPZSA-N 303.366 -0.514 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2c[nH]c(C)cc2=O)[C@H](O)C1 1090697527 HBKVBCREEULDDX-UKRRQHHQSA-N 303.362 -0.128 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2cnn(CCOC)c2)[C@H](O)C1 1090763432 IBKHHTLFAIEIFM-ZIAGYGMSSA-N 306.366 -0.672 30 20 DBED C#CCN1CC[C@H](NC(=O)c2noc3c2COCC3)[C@H](O)C1 1090825178 WVRJYXNRPXEDAP-NWDGAFQWSA-N 305.334 -0.455 30 20 DBED C#CCN1CC[C@H](NC(=O)Cn2c(C)c(C)sc2=O)[C@H](O)C1 1090829704 DWWCOUIEBRREEN-QWHCGFSZSA-N 323.418 -0.289 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2cccc(C(N)=O)n2)[C@@H](O)C1 1090838259 CNHUHYJVZBGNRJ-FZMZJTMJSA-N 316.361 -0.631 30 20 DBED Cc1cc(N2C[C@H](O)[C@H](NC(=O)[C@H](C)C#N)C2)n2ncnc2n1 1091083536 WEBQXJDLDANGMI-IEBDPFPHSA-N 315.337 -0.742 30 20 DBED COC[C@@H](C)C(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@@H]1O 1091089480 AVPGZTKMFVVUMB-RTXFEEFZSA-N 304.350 -0.099 30 20 DBED COCCCC(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1091089633 INYSLTGQYCZLAQ-NEPJUHHUSA-N 305.338 -0.559 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(c2ccc(C#N)nn2)C[C@H]1O 1092153930 OZUGERKMFJQTBE-QWHCGFSZSA-N 317.349 -0.393 30 20 DBED N#Cc1cnc(N2CCN(C(=O)CCNC(N)=O)CC2)c(F)c1 1093155811 QSQDAYKKMADAOR-UHFFFAOYSA-N 320.328 -0.201 30 20 DBED N#Cc1nccnc1N1C[C@H]2C(NC(=O)CCc3nc[nH]n3)[C@@H]2C1 1093239683 MYAGTJCSDDPVJA-NXEZZACHSA-N 324.348 -0.350 30 20 DBED C=C(C)CN1CC(OC2CCN(C(=O)Cn3ncnn3)CC2)C1 1093536353 HKYVQUPBZOJRAE-UHFFFAOYSA-N 320.397 -0.059 30 20 DBED N#Cc1c[nH]ccc1=NCCNC(=O)c1cccc(C(N)=O)n1 1093687554 HMPUBLZFOHTXAL-UHFFFAOYSA-N 310.317 -0.289 30 20 DBED CC(C)(CS(C)(=O)=O)C(=O)NCCN=c1cc[nH]cc1C#N 1093708271 MGJRJWZOAWGPKC-UHFFFAOYSA-N 324.406 -0.026 30 20 DBED CCn1cnc(C(=O)NCc2cn(C3CN(CC#N)C3)nn2)c1 1094333719 DXZWZOWZALFHRD-UHFFFAOYSA-N 314.353 -0.195 30 20 DBED N#Cc1cnc(NCCCNC(=O)C[C@H]2CCC(=O)N2)cn1 1094494839 YLJBDEQRINGLAZ-SNVBAGLBSA-N 302.338 -0.065 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)c3coc(OC)n3)CC2=O)C1 1094766310 HXCOUXGTQVXRFE-SNVBAGLBSA-N 318.333 -0.669 30 20 DBED CC#CCN1CC(N2C[C@H](NC(=O)c3ccncn3)CC2=O)C1 1094799047 FLMSPDHLHFAMFR-GFCCVEGCSA-N 313.361 -0.485 30 20 DBED CN(CCCNC(=O)c1ncn(C)n1)c1ccnc(C#N)n1 1095537311 IGVMTZOGJYUKKU-UHFFFAOYSA-N 300.326 -0.267 30 20 DBED C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC#N)N1C(=O)CCC1=O 1097168980 WLGCPWAPIBDJBU-QCNOEVLYSA-N 304.350 -0.231 30 20 DBED COc1ncc(C(=O)N2CCC(N(CC#N)CCO)CC2)cn1 1098520911 JRZBZZWOPOYETP-UHFFFAOYSA-N 319.365 -0.092 30 20 DBED C[C@@H]1CN(C(=O)[C@H]2COC(=O)N2)CC2(CCN(CC#N)CC2)O1 1098593238 WERIQVGOBILLFN-VXGBXAGGSA-N 322.365 -0.300 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@@H]3CC[C@@H](CN3C(=O)COC)[C@H]2C1 1099373232 UKTGJMSLTNMUFD-YJNKXOJESA-N 319.405 -0.449 30 20 DBED N#CCSCC(=O)N1C[C@H]2CC[C@H]1[C@H]1CN(CC(N)=O)C[C@H]21 1099425237 OTOJEIRZQAOGEA-NDBYEHHHSA-N 322.434 -0.103 30 20 DBED C[C@H](CCNC(=O)[C@@H]1CCNC1=O)Nc1cnc(C#N)cn1 1099617408 UUBJEFIIMOZXNU-KOLCDFICSA-N 302.338 -0.209 30 20 DBED CCC(CC)C(=O)N[C@@H]1CCN(CC(=O)NCC#N)C[C@H]1O 1099693855 YQAQXUNJBDTBEY-CHWSQXEVSA-N 310.398 -0.386 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)Cc2nnc(C)o2)[C@@H](O)C1 1099801705 JNIBWKJYJFVLFT-OLZOCXBDSA-N 324.381 -0.325 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)CNC(=O)N2CCCC2)[C@@H](O)C1 1099830345 QFBLPSRBXITXNP-KGLIPLIRSA-N 324.425 -0.081 30 20 DBED C=CCCCCCN1CC[C@H](NC(=O)Cn2ncnn2)[C@H](O)C1 1099837902 FGKSBYJWLQPUDV-UONOGXRCSA-N 322.413 -0.029 30 20 DBED CCc1nc(C#N)cc(N(C)CCNC(=O)[C@H]2COCCO2)n1 1099943332 ICVBIRVZXHTYKD-GFCCVEGCSA-N 319.365 -0.122 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)CCCN(C)C)[C@H](O)C1 1099973331 BEKZGTPMCGEYCH-HUUCEWRRSA-N 311.426 -0.471 30 20 DBED CC(C)C1(C(=O)N[C@@H]2CCN(CC(=O)NCC#N)C[C@H]2O)CC1 1099997375 VRWDMVPTCVRBEQ-CHWSQXEVSA-N 322.409 -0.386 30 20 DBED CN(CCNC(=O)CNC(=O)C1CC1)c1ccc(C#N)nn1 1099997826 NGBFAYCERBACAP-UHFFFAOYSA-N 302.338 -0.573 30 20 DBED CN(CCNC(=O)c1cnn(C)c1N)c1nccnc1C#N 1100071184 YHBIMQKIJUTWMR-UHFFFAOYSA-N 300.326 -0.470 30 20 DBED C[C@@H]1C[C@@H](C(=O)NCCN(C)c2nccnc2C#N)CC(=O)N1 1100211503 PQIDCQKUTBULHC-GHMZBOCLSA-N 316.365 -0.185 30 20 DBED C=CCNC(=O)CNC1CC(CNC(=O)C2CN(C(C)=O)C2)C1 1100279248 JQGHZJXOUYMXQC-UHFFFAOYSA-N 322.409 -0.749 30 20 DBED CC[C@H](NC(C)=O)C(=O)NCCN(C)c1ccnc(C#N)n1 1100340164 SEEZHQQHZNIDRF-NSHDSACASA-N 304.354 -0.185 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)Cc2cnc(C)o2)C1 1100404447 BSCKAOZNGBFHJU-UHFFFAOYSA-N 318.377 -0.241 30 20 DBED CCC(=O)NCC(=O)NC[C@@H]1CCCN1c1nccnc1C#N 1100809860 JXICJZJSKYVCTB-NSHDSACASA-N 316.365 -0.041 30 20 DBED C#CCNC1CC(CNC(=O)CCNC(=O)[C@@H]2CCCO2)C1 1101072542 PFNKLTGBDCBXFU-RUXDESIVSA-N 307.394 -0.211 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CN(C(=O)[C@@H](C)OC)C[C@]2(C)C1 1101146773 UVTKGQLGNVEQLC-IOASZLSFSA-N 307.394 -0.449 30 20 DBED N#Cc1ccc(N2CCC[C@@H](CCNC(=O)CC(N)=O)C2)nn1 1102905786 MGIYFUXHWMBXMW-NSHDSACASA-N 316.365 -0.054 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(c2ccnc(C#N)n2)CCO1 1104298489 QQCSFUOUAHYQIM-LBPRGKRZSA-N 317.349 -0.128 30 20 DBED C[C@@H](CNc1ccc(C#N)nn1)N(C)C(=O)[C@H]1CNC(=O)N1 1104785136 NXFJGJSCKBYRJC-WCBMZHEXSA-N 303.326 -0.712 30 20 DBED CNC(=O)CC(=O)N1CC[C@@H](N=c2cc[nH]c(C#N)n2)[C@@H](C)C1 1105041480 UFLGWNGVWXYYLF-WDEREUQCSA-N 316.365 -0.445 30 20 DBED CC(C)[C@@H](CNC(=O)CCNC(N)=O)N=c1cc[nH]c(C#N)n1 1105182511 LIOFPYODGJOKFK-SNVBAGLBSA-N 319.369 -0.619 30 20 DBED COC[C@H](C)NCc1cn(C2CN(C(=O)[C@H](C)C#N)C2)nn1 1105189932 NXYRVSBAGXVYNR-MNOVXSKESA-N 306.370 -0.054 30 20 DBED CC(C)[C@H](CNC(=O)[C@H]1CNC(=O)N1)Nc1ccc(C#N)nn1 1105278344 YYCGEOPSCJJAJB-WDEREUQCSA-N 317.353 -0.418 30 20 DBED CCOCCCC(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1 1105716247 NBCLYFCGVQUUFH-NSHDSACASA-N 307.354 -0.524 30 20 DBED Cc1ncoc1C(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1 1105807759 GAQDJWQITNMNAT-VIFPVBQESA-N 302.294 -0.731 30 20 DBED N#Cc1cccnc1NC[C@H](O)CNC(=O)C(=O)NCC1CC1 1105953652 DKSSLJGOMGGGQE-LBPRGKRZSA-N 317.349 -0.632 30 20 DBED CN1CCCC[C@H]1C(=O)NC[C@@H](O)CNc1cncc(C#N)n1 1106060123 OBNJBOZOWAMMOF-STQMWFEESA-N 318.381 -0.278 30 20 DBED N#Cc1cncc(NC[C@H](O)CNC(=O)c2csc(O)n2)n1 1106066398 CQYMFFGKMGWIGJ-QMMMGPOBSA-N 320.334 -0.287 30 20 DBED C[C@H]1CCN(CC(=O)NC[C@@H](O)CN=c2cc[nH]cc2C#N)C1 1106105860 YYBNNWRJDMZJDE-JSGCOSHPSA-N 317.393 -0.394 30 20 DBED N#Cc1nc(=NC[C@@H](O)CNC(=O)C2(F)CCOCC2)cc[nH]1 1106150527 WQLKQTMTYRCASB-SNVBAGLBSA-N 323.328 -0.822 30 20 DBED COCC1(C(=O)N2C[C@@H](C)[C@H](CNCC(=O)NCC#N)C2)CC1 1106424980 BMUJHSLRGWBGAS-CHWSQXEVSA-N 322.409 -0.263 30 20 DBED C[C@@H](CCN=c1cc[nH]cc1C#N)NC(=O)[C@H]1C[C@H]1C(N)=O 1106569597 LCICCJVGWUUUFB-WCQGTBRESA-N 301.350 -0.197 30 20 DBED CCN(CCNc1cncc(C#N)n1)C(=O)[C@H]1C[C@H]1C(N)=O 1106951934 KEXLNFSGVTTWLN-MNOVXSKESA-N 302.338 -0.270 30 20 DBED C=CCN1CC(n2cc(CNC(=O)CCc3cnn[nH]3)nn2)C1 1107212186 RLENSUYFBXPUJV-UHFFFAOYSA-N 316.369 -0.312 30 20 DBED CCC(=O)N[C@H](C)C(=O)NC/C=C\CN=c1cc[nH]c(C#N)n1 1107558262 XSYSGQRGJNYIOO-DOGVGXBMSA-N 316.365 -0.231 30 20 DBED CCN1C[C@@H](C(=O)NC[C@]2(C)CN(CC#N)CCO2)CC1=O 1107982969 FDTDCTIJVUITBD-SWLSCSKDSA-N 308.382 -0.415 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)[C@H](C)S(C)(=O)=O)C1 1108028555 HTZUVXLDBFRIGK-AAEUAGOBSA-N 302.396 -0.740 30 20 DBED C[C@]1(CNC(=O)CCN2C(=O)CCC2=O)CN(CC#N)CCO1 1108057291 FRFBBVLVUQMHFM-HNNXBMFYSA-N 322.365 -0.744 30 20 DBED COCC(=O)N(C)CC(=O)N[C@H](C)CNc1cnc(C#N)cn1 1108174131 LKAMPFOOTVOKIS-SNVBAGLBSA-N 320.353 -0.630 30 20 DBED C=CCN1CCO[C@@](C)(CNC(=O)c2nccnc2C(N)=O)C1 1108388189 YBGHJNNSDJTOOV-HNNXBMFYSA-N 319.365 -0.418 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)CCn3ccnn3)CC2=O)C1 1108536491 FUDNENNRUOFRTP-GFCCVEGCSA-N 318.381 -0.745 30 20 DBED Cc1ccc(C#N)c(N(C)C[C@H](C)NC(=O)CNC(N)=O)n1 1108815895 DSHWJVJPQYERIB-JTQLQIEISA-N 304.354 -0.129 30 20 DBED C[C@@H](CN(C)c1ccnc(C#N)n1)NC(=O)c1cnn(C)n1 1109014575 GMVJRGDGTBSGGS-VIFPVBQESA-N 300.326 -0.269 30 20 DBED Cn1nnc(C(=O)N[C@H](CNc2cnc(C#N)cn2)C2CC2)n1 1109966787 DMBXPEIUMUBPTC-SNVBAGLBSA-N 313.325 -0.508 30 20 DBED Cn1nnc(C(=O)N[C@@H](CNc2cncc(C#N)n2)C2CC2)n1 1109967170 OVEDBYKOBAXOFQ-JTQLQIEISA-N 313.325 -0.508 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(Nc2nccn3nnnc23)CC1 1110125413 AOFTYOSIYZECBK-CYBMUJFWSA-N 317.353 -0.093 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H]1CCCOC1 1110372729 UDZKFZHZBJLNQC-TUVASFSCSA-N 319.405 -0.116 30 20 DBED N#Cc1cnc(NCCN(CCO)C(=O)c2cnccn2)cn1 1111411838 RNLDKQXBXUEVTP-UHFFFAOYSA-N 313.321 -0.315 30 20 DBED N#Cc1nccnc1NCCN(CCO)C(=O)c1cnon1 1111495085 YYAHZOBSCDUAOR-UHFFFAOYSA-N 303.282 -0.722 30 20 DBED C[C@H]1CN(C(=O)CCNC(N)=O)C[C@@H]1N=c1cc[nH]c(C#N)n1 1112312317 FLKPGANVJIWEHJ-UWVGGRQHSA-N 317.353 -0.913 30 20 DBED C#CCNC[C@]12CCC[C@H]1CN(C(=O)CS(=O)(=O)NC)C2 1112581018 RFSCNZVKDPTIRE-JSGCOSHPSA-N 313.423 -0.613 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCN([C@@H](C)C(=O)NC(N)=O)CC1 1112804812 SEJSVIDXBRNKQM-IINYFYTJSA-N 312.370 -0.959 30 20 DBED COC(=O)NCC(=O)N[C@@H](C)[C@H](C)N=c1cc[nH]c(C#N)n1 1112915804 CSRHGZIMHNRFLA-IUCAKERBSA-N 306.326 -0.569 30 20 DBED C[C@H](CNC(=O)CS(C)(=O)=O)N(C)c1ccncc1C#N 1113521078 NRSYWVHVZVKKAR-SNVBAGLBSA-N 310.379 -0.061 30 20 DBED C#Cc1ccc(C(=O)N2CCN(CC(=O)NCC#N)CC2)cn1 1113557878 UQGIXZYJJIBETI-UHFFFAOYSA-N 311.345 -0.540 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)CN(C)CCC)CC1 1113569905 AUAMISUNLLEYSU-CQSZACIVSA-N 308.426 -0.390 30 20 DBED C#CCCN1CCN(C(=O)CCNC(=O)[C@H]2CCCO2)CC1 1113734745 ZFDFAXCXOCVIAW-CQSZACIVSA-N 307.394 -0.161 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)c3cocn3)[C@@H]2C1 1114028633 SFBISBKGJLGEOY-HBNTYKKESA-N 302.334 -0.528 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)/C=C/c3ccc[nH]3)[C@@H]2C1 1114183634 CAQLVMGHTCLIPN-QAMKJQMISA-N 312.373 -0.176 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@@H]3CCO[C@H]3CC)[C@H]2C1 1114596731 CHMQKSOVPYACFU-NJURLYQPSA-N 319.405 -0.403 30 20 DBED CC(=O)NCC(=O)N1CCC(N(C)c2nccnc2C#N)CC1 1115124925 FNNDEBWUPLYKPY-UHFFFAOYSA-N 316.365 -0.088 30 20 DBED C#CCOCCNC(=O)C(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1C 1117436019 BVCRMDFONLPWBV-STQMWFEESA-N 323.393 -0.342 30 20 DBED CO[C@@H]1CCN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)[C@H](C)C1 1118250675 VYANBJCCOBZLIW-JMSVASOKSA-N 309.366 -0.111 30 20 DBED CN1C[C@H](C(=O)NC[C@@H](CO)Nc2ccc(C#N)cn2)CC1=O 1122716582 ASTAXXNKBYNTQB-NEPJUHHUSA-N 317.349 -0.679 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)C2(F)CCOCC2)nn1 1122748077 PBZPETDMRSZBHF-LLVKDONJSA-N 323.328 -0.244 30 20 DBED CNC(=O)CC(=O)N(C)C[C@H](O)CNc1ncccc1C#N 1124255921 AOSZHISKJDDEJU-LLVKDONJSA-N 305.338 -0.679 30 20 DBED CN(C[C@H](O)CNc1cncc(C#N)n1)C(=O)CCCC(N)=O 1124393876 MYIHIIUKRVHSID-LLVKDONJSA-N 320.353 -0.765 30 20 DBED CC[C@@H](C(=O)N(C)C[C@H](O)CN=c1cc[nH]c(C#N)n1)N(C)C 1124454772 LWFOHEYSIYHNIS-NEPJUHHUSA-N 320.397 -0.658 30 20 DBED CN(C[C@@H](O)CNc1cnc(C#N)cn1)C(=O)Cc1cnoc1 1124689556 UMNOUTZWWVJYIO-LBPRGKRZSA-N 316.321 -0.190 30 20 DBED CN(C[C@H](O)CNc1nccnc1C#N)C(=O)c1n[nH]cc1F 1124715081 VHXIPJJVIYUHBU-MRVPVSSYSA-N 319.300 -0.245 30 20 DBED CN(C[C@H](O)CNc1cnc(C#N)cn1)C(=O)c1ccnnc1 1124754522 QMBHCBWQHPUZOW-GFCCVEGCSA-N 313.321 -0.317 30 20 DBED CN(C)CCC(=O)N(C)C[C@@H](O)CN(C)c1cnc(C#N)cn1 1125254308 MIBWQFLWXAYXDO-ZDUSSCGKSA-N 320.397 -0.445 30 20 DBED Cc1cc(C#N)nc(NCCOCCN(C)C(=O)C(N)=O)n1 1127458245 ZOONWPDUJVJIBG-UHFFFAOYSA-N 306.326 -0.971 30 20 DBED C#CCN1CCn2ncc(CNC(=O)C(=O)NCC3CC3)c2C1 1128530855 VJWDWHRJQJECKK-UHFFFAOYSA-N 315.377 -0.526 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)COCCCOC)C1 1129381389 MZUWCTVDOSLWKB-KGLIPLIRSA-N 321.381 -0.694 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(CCOC)C[C@@H]1n1ccnn1 1129476394 GOMZHARIUIITKQ-KGLIPLIRSA-N 323.397 -0.141 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(C[C@@H](C)O)C[C@@H]1n1ccnn1 1129477112 YOVVHPUJDIVKRS-MCIONIFRSA-N 323.397 -0.407 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCNCCc1cnn(C)c1 1129771433 XKAWKZAQKYXQPG-HNNXBMFYSA-N 303.410 -0.234 30 20 DBED C#CCN1CCOC[C@@H]1c1n[nH]c(CNC(=O)CCOC)n1 1130826423 ZBSJKEQBNIOUSX-LLVKDONJSA-N 307.354 -0.536 30 20 DBED C=CCO[C@@H](C)C(=O)N1C[C@@H]2C[C@@H]3CN(CCO)C[C@]2(C1)O3 1131297494 DUFFJEBMGLLHKF-TTZDDIAXSA-N 310.394 -0.129 30 20 DBED C[C@@H]1CC[C@@H](NC(=O)Cc2ccon2)CN1CC(=O)NCC#N 1131927582 QAMMQNGQIRFJAJ-DGCLKSJQSA-N 319.365 -0.174 30 20 DBED C=CCN1C[C@H](NC(=O)CNS(=O)(=O)N(C)C)CC[C@H]1C 1132327675 SXEOVEBBRSBIQF-VXGBXAGGSA-N 318.443 -0.463 30 20 DBED CNS(=O)(=O)CCC(=O)N1CC[C@H](C)[C@H](CNCC#N)C1 1132828289 PSOMKVIYFJPYNV-NWDGAFQWSA-N 316.427 -0.477 30 20 DBED C#CCOc1ccc(C(=O)NCCNCC(=O)NC(N)=O)cc1 1134950484 NPTNNZSJVGVLAY-UHFFFAOYSA-N 318.333 -0.787 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)c1ccncc1)C2 1146875875 KQUNZRFWSHYNTB-UHFFFAOYSA-N 312.373 -0.021 30 20 DBED C=C(C)CN(CC)C(=O)[C@H](C)NCCNC(=O)Cc1nc[nH]n1 1147271654 MCRPKCOVAWIQBL-LBPRGKRZSA-N 322.413 -0.134 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)CS(=O)(=O)C(C)C 1151404626 BZPALYUAZRVWMC-LLVKDONJSA-N 319.427 -0.794 30 20 DBED C=CCOCCNCCCNC(=O)[C@@H](C)NC(=O)COC 1158637536 LHHRWBAMJGNTJC-GFCCVEGCSA-N 301.387 -0.564 30 20 DBED CC[C@@H](C(=O)NCCC1(CNCC(=O)NCC#N)CC1)N(C)C 1167257582 BOOPRAPVCFJKLF-ZDUSSCGKSA-N 323.441 -0.158 30 20 DBED C#CCNC(=O)CNCCCC[C@H](C)NC(=O)CC(=O)NC 1170363503 OWQBFXDLUILCCF-LBPRGKRZSA-N 310.398 -0.864 30 20 DBED C=CCNC(=O)CNCCCNC(=O)C[C@H]1CCCCC(=O)N1 1174665837 FCGSQSCZIZRMBD-CYBMUJFWSA-N 324.425 -0.167 30 20 DBED C[C@@H](CCCCNCC#N)NC(=O)CN1CCC(=O)NC1=O 1176050524 UDXJQBVGASIJRM-NSHDSACASA-N 309.370 -0.284 30 20 DBED N#CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CC23CCOCC3)C1 1188482730 IQZZCARIMVWWBG-CHWSQXEVSA-N 320.393 -0.367 30 20 DBED C=CCOCC(=O)N[C@@H]1CN([C@@H](C)c2n[nH]c(C)n2)C[C@H]1O 1191777465 MOWZSTUFZHXGIH-MVWJERBFSA-N 309.370 -0.462 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2cnc(C)n2C)C1 1191958776 JAVJKNNTYPQBPQ-ZDUSSCGKSA-N 317.393 -0.376 30 20 DBED Cc1cc(CN2C[C@@H](O)[C@H](NC(=O)C#CC3CC3)C2)nn1C 1192770527 LOXPATOVBHUORR-HUUCEWRRSA-N 302.378 -0.197 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)c2ccsn2)C1 1194023998 UIVKOBRIDWVXBE-YUSALJHKSA-N 322.390 -0.944 30 20 DBED COCC#CCN(C)[C@H]1CCN(C(=O)c2c[nH]c(C(N)=O)c2)C1 1194049709 XVSVJWJHCSEONK-ZDUSSCGKSA-N 318.377 -0.090 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2ccc(CC)o2)C1 1194151564 JGUORRWAUHVHBI-CHWSQXEVSA-N 321.377 -0.081 30 20 DBED CS(=O)(=O)CCN1CCCN(C(=O)CSCC#N)CC1 1194913090 PXYKURLITDJCGZ-UHFFFAOYSA-N 319.452 -0.178 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1CN(CC(=O)Nc2ccon2)C[C@H]1O 1195334318 YQMWHGLMTLYHGU-GHMZBOCLSA-N 322.365 -0.013 30 20 DBED CC[C@H](C)OCC(=O)N1CCCN(CC(=O)NCC#N)CC1 1195523350 CAWVCDGGGIKFGR-ZDUSSCGKSA-N 310.398 -0.024 30 20 DBED C#CCOCCC(=O)N1CCCN([C@H]2CCC(=O)NC2=O)CC1 1195824011 GPHUXLUXIRDQAH-ZDUSSCGKSA-N 321.377 -0.634 30 20 DBED C=CCNC(=O)NC(=O)CNC[C@@H]1CN(C(C)=O)CCCO1 1199598950 AZPSUTRVONKHQG-GFCCVEGCSA-N 312.370 -0.775 30 20 DBED CC(C)(C)C(=O)C(=O)N1CCC(NCC(=O)NCC#N)CC1 1199834670 YNNJEQRIPLGVDB-UHFFFAOYSA-N 308.382 -0.178 30 20 DBED O=C(C#CC1CC1)N1CCCO[C@H](CNCC(=O)N2CCC2)C1 1200453201 SSBQOCQVBCYQBX-OAHLLOKOSA-N 319.405 -0.161 30 20 DBED C#CCNC[C@H]1CN(C(=O)[C@]2(C)CCNC(=O)C2)CCCO1 1200796143 UDEBPYLRKSJYGC-XJKSGUPXSA-N 307.394 -0.257 30 20 DBED C#CCCNC[C@H]1CN(C(=O)[C@H]2CCC(=O)N2C)CCCO1 1201239732 KJAXWBWHQCOYER-UONOGXRCSA-N 307.394 -0.162 30 20 DBED C=CCNC[C@@H]1CN(C(=O)COCc2nncn2C)CCCO1 1201757822 HYUMYCQOSPJBEJ-CYBMUJFWSA-N 323.397 -0.275 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CCN(C(=O)Cc2cnoc2)CC1 1202149421 IIIFWBOINBYSKR-GFCCVEGCSA-N 318.377 -0.064 30 20 DBED CC(=O)NCCOCCN1C[C@@H](NC(=O)C#CC2CC2)[C@H](C)C1 1206951966 RCDXURXXKAIEDW-CZUORRHYSA-N 321.421 -0.011 30 20 DBED CC#CCNCC1CCN(C(=O)C[C@@H]2CC(=O)NC2=O)CC1 1206978820 UDGYCOUPLXXZFL-ZDUSSCGKSA-N 305.378 -0.109 30 20 DBED CCS(=O)(=O)N[C@H](C)C(=O)N1CCC[C@H](NCC#N)C1 1208108868 CTDYQHBRZTUMEG-MNOVXSKESA-N 302.400 -0.582 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)[C@@]2(C)CCOC2)C1 1210316543 XKVJWQQKDSDUNU-BBRMVZONSA-N 307.394 -0.257 30 20 DBED COCC#CCN1C[C@@H](NC(=O)Cc2nnc(C)o2)[C@H](OC)C1 1212214223 DUMNTMWDYXAXLI-CHWSQXEVSA-N 322.365 -0.614 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(Cc2cn(C)nn2)C[C@H]1OC 1213959588 RPGAMDNGNZZYKF-ZIAGYGMSSA-N 323.397 -0.277 30 20 DBED CCN1CCO[C@H](C(=O)N2C[C@@H](NCC#CCOC)[C@H](C)C2)C1 1216801418 NCFFGDUTIYNYJN-OAGGEKHMSA-N 323.437 -0.207 30 20 DBED C#CCCCC(=O)N1CCO[C@@H]2CN([C@@H]3CCN(C)C3=O)C[C@@H]21 1217762133 AJEITYBDRPYCHE-QLFBSQMISA-N 319.405 -0.068 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)COC[C@H]1CCOC1 1218709907 XHHKKCDMWLXPSY-MELADBBJSA-N 309.366 -0.525 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)/C=C\C2CC2)C1 1219420271 OCBYAJGHPBBPOG-YYWDSJPTSA-N 305.378 -0.748 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)C(=O)Nc2ccccc2)C1 1219946188 JUHBVRWLAJURGF-KGLIPLIRSA-N 301.346 -0.190 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)c2cnc(C)n2C)C1 1220218503 RMKVAMGDPXBICM-OCCSQVGLSA-N 308.382 -0.294 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)C(C)(C)NC(=O)NCC)C1 1220465957 ZOJPGAUSSLUCCQ-NEPJUHHUSA-N 310.398 -0.731 30 20 DBED C=CCOCC(=O)N1C[C@H]2CCN([C@@H](C)C(=O)NC(N)=O)C[C@H]21 1221436275 RXKFBPNGBZSCKE-QJPTWQEYSA-N 324.381 -0.695 30 20 DBED COCC#CCN1CC[C@@H]2CN(C(=O)[C@@H]3COCCN3C)[C@@H]2C1 1221483974 HXQOGDUANOEHJZ-OAGGEKHMSA-N 321.421 -0.501 30 20 DBED CC[C@@H](C(=O)NCC1CCN(CC(=O)NCC#N)CC1)N(C)C 1224583014 HZRHHLZQNDLYOK-AWEZNQCLSA-N 323.441 -0.205 30 20 DBED C#CCCN1CCC(CNC(=O)CC[C@H]2NC(=O)NC2=O)CC1 1225377671 GQUOACARJRZNBH-CYBMUJFWSA-N 320.393 -0.174 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC 1226860423 MIRRCKBTFNXOKV-KFWWJZLASA-N 320.437 -0.153 30 20 DBED CN(C)CCCC(=O)NC1CCN(CC(=O)NCC#N)CC1 1228879069 DKSWKDACLRQNMK-UHFFFAOYSA-N 309.414 -0.451 30 20 DBED C=CCOCC(=O)N(C)C[C@H]1CCN1[C@H]1CCC(=O)NC1=O 1231241068 QJLFOBQAQVKWKB-NEPJUHHUSA-N 309.366 -0.473 30 20 DBED CCNC(=O)NC(=O)CN1CC[C@H]1CN(C)C(=O)[C@@H](C)C#N 1231246957 JEUDHAVCIWVJIA-QWRGUYRKSA-N 309.370 -0.476 30 20 DBED C#CCOCCNC(=O)C(=O)N1CC[C@H]2[C@H](CCCN2C)C1 1260309248 IDNRBOAQNRUHBU-KGLIPLIRSA-N 307.394 -0.305 30 20 DBED C=CCOCCNC(=O)C(=O)N(C)C[C@H]1CCN(C(C)=O)C1 1261582231 LWOYHTLMBMHGLP-CYBMUJFWSA-N 311.382 -0.368 30 20 DBED N#C[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)C1 1262232627 ISMCOCSZQQYPBE-IHRRRGAJSA-N 320.393 -0.272 30 20 DBED CN1CCC(C(=O)N[C@@H]2CCCN(CC(=O)NCC#N)C2)CC1 1317943734 SGDMNRDXTBVSFK-CQSZACIVSA-N 321.425 -0.451 30 20 DBED COCC1(NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 1319794334 VEOIBIGJZYIHSJ-QXMHVHEDSA-N 308.338 -0.009 30 20 DBED C=CCSCCNC(=O)C(=O)NCC(C)(C)S(C)(=O)=O 1321888645 JRLVMECHDRXHCK-UHFFFAOYSA-N 322.452 -0.039 30 20 DBED C=CC[C@@H](CC)NC(=O)C(=O)N1CCN(CC(=O)N(C)C)CC1 1323102581 VSQQIBPYSCBHSP-CYBMUJFWSA-N 324.425 -0.310 30 20 DBED N#Cc1ncn(CCNCc2cn(Cc3cccnc3)nn2)n1 1323981001 IVMBXFVHIZLKAV-UHFFFAOYSA-N 309.337 -0.026 30 20 DBED N#CCn1cc(NC(=O)C(=O)N2CCC(CCO)CC2)cn1 1324217982 AVQPRIPMOSUQFG-UHFFFAOYSA-N 305.338 -0.034 30 20 DBED CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1cnn(CC(=O)NC)c1 1324334906 JUCZWSAJEULINS-SNVBAGLBSA-N 320.353 -0.424 30 20 DBED C=CCNC(=O)CNC(=O)c1ccc(CNS(C)(=O)=O)o1 1324978549 KETDFSVUAAPNGX-UHFFFAOYSA-N 315.351 -0.639 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCN(C[C@H]2CCCO2)CC1 1329098080 CEGJNJKIVQJFPR-CQSZACIVSA-N 323.393 -0.924 30 20 DBED CNC[C@@H](C)NC(=O)C(=O)N1CC(Oc2ccc(C#N)cc2)C1 1329863267 SRUSYQZAVSQENT-LLVKDONJSA-N 316.361 -0.128 30 20 DBED COCC[C@@H](C)CNC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1330327536 BJVUKQSWDIWZFL-TZMCWYRMSA-N 322.409 -0.026 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N[C@@H](C)c1ncnn1C 1334207602 JENFEYHZDUZMSC-NSHDSACASA-N 307.354 -0.509 30 20 DBED CC(=O)N1C[C@H]2CN(C(=O)C(=O)N3CCC(C#N)CC3)C[C@H]2C1 1334940276 UQHKXQPEJYBRGO-OKILXGFUSA-N 318.377 -0.315 30 20 DBED N#C[C@@]1(F)CCN(C(=O)C(=O)N2CC[C@H](C3OCCO3)C2)C1 1335045708 KGGSMBAMSCARRH-HZMBPMFUSA-N 311.313 -0.328 30 20 DBED CN(C)CC1(CNC(=O)C(=O)N2CCO[C@@H](C#N)C2)CCCC1 1342802095 SXXXTVBQVMIUDV-ZDUSSCGKSA-N 322.409 -0.024 30 20 DBED CCN1CCN(C(=O)C(=O)N2CCC[C@](C)(C#N)C2)CC1=O 1348287916 HNFHWRUQQUAMSN-OAHLLOKOSA-N 306.366 -0.171 30 20 DBED C=CCN(C(=O)C(=O)N1C[C@H](OC)[C@H](OC)C1)[C@@H](C)COC 1350278791 HRVXRVBAPAQWDX-RWMBFGLXSA-N 314.382 -0.092 30 20 DBED C=CCNC(=O)Cn1nnnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1355580675 BASJOFOYJHFNDW-VXGBXAGGSA-N 322.369 -0.641 30 20 DBED CC(C)C[C@H](O)CNC(=O)CCn1cc(C#N)c(O)nc1=O 1362237296 KRYMIUVOLXTJHU-NSHDSACASA-N 308.338 -0.266 30 20 DBED CCS(=O)(=O)C1CN(S(=O)(=O)c2ccc(C#N)o2)C1 1365398524 JSPVRMXPSGNPNC-UHFFFAOYSA-N 304.349 -0.041 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@](C)(NC(=O)CNC(=O)C2CC2)C1 1379629475 OYMTVNLRMQBFQT-BMIGLBTASA-N 306.366 -0.221 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CN(C)C(=O)C1(C)CCOCC1 1384250430 ZVIMTSGETXWFNU-RYUDHWBXSA-N 311.382 -0.102 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](NC(=O)CS(C)(=O)=O)C(C)(C)C 1384337554 UASOZJZKKDUMNO-VHSXEESVSA-N 317.411 -0.162 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CCN(C(=O)CCN2CCCC2=O)C1 1385633091 JURBKHYJYDNPKJ-NWDGAFQWSA-N 306.366 -0.124 30 20 DBED CNC(=O)NCC(=O)N[C@@H]1CC12CCN(C(=O)[C@@H](C)C#N)CC2 1385839416 QZOCPMWYTNDZNG-WDEREUQCSA-N 321.381 -0.428 30 20 DBED CC[C@H](CNC(=O)c1cnn[nH]1)NC(=O)c1ccc(C#N)[nH]1 1390550726 JJBJSERBEKINJN-MRVPVSSYSA-N 301.310 -0.057 30 20 DBED Cc1noc(CNC[C@@H](O)CNC(=O)c2cc(C#N)c[nH]2)n1 1406201547 DRCWRSSFQFJIDT-SNVBAGLBSA-N 304.310 -0.542 30 20 DBED CCc1nnc(CNC[C@@H](O)CNC(=O)c2cc(C#N)c[nH]2)o1 1406205077 GZKCEKUJWMFYBS-SNVBAGLBSA-N 318.337 -0.288 30 20 DBED CCC[C@@H](NC(N)=O)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)C#N 1416143003 KOIFBOREWDXSRJ-FIQHERPVSA-N 321.381 -0.205 30 20 DBED C[C@@H](CNC(=O)[C@H](C)C#N)NC(=O)c1ccnc2c1nnn2C 1416936419 QDGPPRUNZVWSTI-BDAKNGLRSA-N 315.337 -0.243 30 20 DBED COCCN(CCNC(=O)c1cnnn1C)C(=O)[C@@H](C)C#N 1426050266 LTLNUSYMTJXTTE-JTQLQIEISA-N 308.342 -0.820 30 20 DBED COCC(=O)NCCC(=O)N1CCC(NC(=O)[C@@H](C)C#N)CC1 1446747755 ZUTAKLOOTLSBFA-NSHDSACASA-N 324.381 -0.594 30 20 DBED Cn1cnnc1CC1CCN(C(=O)Cn2cnc(C#N)n2)CC1 1471971216 XCSAYZVOPQUHMB-UHFFFAOYSA-N 314.353 -0.240 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)c2cc(C)ncn2)C1 1480107652 IAIMEZXMWWMBDE-LBPRGKRZSA-N 303.366 -0.109 30 20 DBED C[C@H](C#N)C(=O)N(C)CCN1CCN(CCn2cncn2)CC1 1481466498 DQMFOJMGSZQYIF-CQSZACIVSA-N 319.413 -0.486 30 20 DBED C[C@H](CCNC(=O)c1ccc(C(N)=O)cn1)NC(=O)[C@H](C)C#N 1495579012 OLYRQADTGJIWJE-NXEZZACHSA-N 317.349 -0.035 30 20 DBED C[C@H](NC(=O)c1ccco1)C(=O)NC1CN(C(=O)[C@H](C)C#N)C1 1498211529 MBQKACWFQOGVOW-ZJUUUORDSA-N 318.333 -0.115 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@H]1CCCN1C(=O)c1ccnnc1 1499928176 PDIWRLIIBZIHFQ-TZMCWYRMSA-N 315.377 -0.191 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](C)CNC(=O)c1cn(C)c(=O)nc1O 1532238588 ZWAZXBUVAULSGB-BDAKNGLRSA-N 321.337 -0.872 30 20 DBED C[C@H](C#N)C(=O)N(C)CCN(C)c1ccnc(-c2nn[nH]n2)n1 1573563045 ZFTABLDOQJWUPP-SECBINFHSA-N 315.341 -0.289 30 20 DBED C#CCCN1CCN(C(=O)[C@H]2CCCN(CCN)C2=O)CC1 1574583625 JSENJGXDYLXILX-AWEZNQCLSA-N 306.410 -0.649 30 20 DBED C[C@@H](C#N)CNC(=O)N1CCN(C(=O)N2CCNCC2)CC1 1575051163 JBMRZERRYJPHIM-LBPRGKRZSA-N 308.386 -0.502 30 20 DBED C=CCn1cc(C(=O)N2CC[C@@H](NCc3cnn[nH]3)C2)nn1 1575112138 PMHUNCNOTPKZDK-SNVBAGLBSA-N 302.342 -0.414 30 20 DBED CC1(C)CN(c2cnc(-c3nn[nH]n3)c(C#N)n2)C[C@H](CO)O1 1575727463 XECPHRDUHIXDRX-MRVPVSSYSA-N 316.325 -0.496 30 20 DBED N#Cc1ccc(CS(=O)(=O)N2CC(=O)NCC23CNC3)cc1 1580065777 RYLCQGSNZGEYNU-UHFFFAOYSA-N 320.374 -0.838 30 20 DBED C[C@@H]1CN(c2cnc(C#N)c(-c3nn[nH]n3)n2)CCS1(=O)=O 1580356154 LKENLMVBGWVQRR-SSDOTTSWSA-N 320.338 -0.848 30 20 DBED C#CCNC(=O)CN(C)CCN(C(=O)[C@@H]1C[C@H]1C(=O)O)C(C)C 1588484093 PVQGBCSCKDXDNO-CHWSQXEVSA-N 323.393 -0.375 30 20 DBED CC(=O)NCCN(C(=O)[C@H](C)n1cnc(C#N)n1)[C@@H](C)C(=O)O 1588501791 KFJFEVNAHRIGMY-IUCAKERBSA-N 322.325 -0.851 30 20 DBED CS(=O)(=O)N1CCC(n2cnc(C#N)c2-c2nn[nH]n2)CC1 1591676850 LJQKRZNMBXYYLW-UHFFFAOYSA-N 322.354 -0.469 30 20 DBED N#Cc1ccc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)O)s1 1594617741 JZMWFQQGVFPMLU-QMMMGPOBSA-N 314.344 -0.056 30 20 DBED C#CCN(CC(=O)O)c1nnc([C@@H]2SCCNC2=O)n1CC 1602701087 VQIQEQOQZCNSTM-JTQLQIEISA-N 323.378 -0.274 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(CC(=O)O)C2CC2)C1=O 1602894406 AFIZOMIMNSXHHL-UHFFFAOYSA-N 309.278 -0.961 30 20 DBED CO[C@@](C)(C(=O)O)C(=O)NS(=O)(=O)c1ccccc1C#N 1604463266 DHIQNOSXVOAUHU-GFCCVEGCSA-N 312.303 -0.147 30 20 DBED N#Cc1ncn(CC(=O)NCc2ccccn2)c1-c1nn[nH]n1 1606398817 XDKOSNAZERPQRO-UHFFFAOYSA-N 309.293 -0.354 30 20 DBED N#Cc1ccc(S(=O)(=O)NC2(C(=O)O)CC(CO)C2)nc1 1608210527 LMWSAUCATNRIAG-UHFFFAOYSA-N 311.319 -0.543 30 20 DBED C=CCNC(=O)NC(=O)Cn1cc(C(=O)O)cc(C#N)c1=O 1609398726 DZNWPTJBZZZRQM-UHFFFAOYSA-N 304.262 -0.570 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)NCCC(=O)N2CCOCC2)C1 1645858680 RQRYLUSSKOCMSN-CQSZACIVSA-N 310.354 -0.705 30 20 DBED COCCN(CCC#N)C(=O)c1cn(CC(=O)N(C)C)nn1 1649711508 BJLVIDIQGSTLIO-UHFFFAOYSA-N 308.342 -0.631 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H](C)CNC(=O)Cn1cncc1C 1752887830 GZWUBNMLSIDSSJ-AAEUAGOBSA-N 307.398 -0.023 30 20 DBED C=CCNC(=O)CNC[C@H]1CCN(C(=O)c2cnn(CC)n2)C1 1752933996 CNEWAOAEXYLIJT-GFCCVEGCSA-N 320.397 -0.348 30 20 DBED Cc1ncoc1C(=O)N1CC[C@@H](CNCC(=O)NCC#N)C1 1752936126 QKMONOVDVAWYPP-NSHDSACASA-N 305.338 -0.326 30 20 DBED C#CCNC[C@@H]1CCN(C(=O)c2ccc(=O)n(CCOC)n2)C1 1752943596 MYCDOOZOWQFTHT-ZDUSSCGKSA-N 318.377 -0.425 30 20 DBED COCC1(C(=O)NC[C@@H]2CCN(CC(=O)NCC#N)C2)CCC1 1753130929 JDXSUYPHCUBRMN-ZDUSSCGKSA-N 322.409 -0.119 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@@H](CNC(=O)c2nc(C)c[nH]2)C1 1753135351 KIBYNAAPHVBDOQ-OLZOCXBDSA-N 317.393 -0.092 30 20 DBED Cc1cncc(CC(=O)N(C)CCNCC(=O)NCC#N)c1 1753215938 GCZKZOGESDIVCD-UHFFFAOYSA-N 303.366 -0.380 30 20 DBED C#CCNC(=O)CNC[C@@H](C)CNC(=O)Cn1cncc1C 1753624678 CLZOPKINXANRTL-GFCCVEGCSA-N 305.382 -0.717 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CCN1CCCN1C(=O)CNC1=O 1754484250 XZRBATYZXSZJAQ-ZDUSSCGKSA-N 318.377 -0.468 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@@](C)(NC(=O)CNC(=O)OC)C1 1754666709 DVBOSKPWRKCVSR-IAQYHMDHSA-N 324.381 -0.939 30 20 DBED CN(CCCN(C)C(=O)Cc1ccon1)CC(=O)NCC#N 1755037087 LVMKVDAIXUMXFA-UHFFFAOYSA-N 307.354 -0.363 30 20 DBED C#CCCN[C@]1(CO)CCCN(C(=O)[C@H](CC)NC(C)=O)C1 1755089626 TUDQYAQSJHEHIL-GOEBONIOSA-N 309.410 -0.133 30 20 DBED C#CCNC(=O)CNCC1CC(NC(=O)Cn2ccnc2)C1 1755223551 LCADKBABBNETPX-UHFFFAOYSA-N 303.366 -0.883 30 20 DBED CC#CCCCC(=O)NC1(CCO)CN(Cc2nc(O)n[nH]2)C1 1755334731 IMUDZVMERYVYQA-UHFFFAOYSA-N 321.381 -0.243 30 20 DBED C[C@H](CN(C)C(=O)Cc1ncccc1F)NCC(=O)NCC#N 1755602941 XJCCFTOZDVJTEM-LLVKDONJSA-N 321.356 -0.161 30 20 DBED COCC#CCN[C@H](C)CN(C)C(=O)CC[C@@H]1NC(=O)NC1=O 1755615787 CKYIMUNNIOYBJZ-NEPJUHHUSA-N 324.381 -0.939 30 20 DBED C#CCNC(=O)CNC[C@@H]1CC[C@H](NC(=O)CSCC#N)C1 1755730944 PDVVZMVMTZFQJF-OLZOCXBDSA-N 322.434 -0.133 30 20 DBED CC#CCN1CC=C(CNC(=O)CN2CCOCC2=O)CC1 1755887645 YIMLBOZWSHEJID-UHFFFAOYSA-N 305.378 -0.383 30 20 DBED C#CCNC(=O)CC(=O)N(C)[C@H](C)CNC(=O)c1cc(C)on1 1756001759 DHFVJVKXAOKGNF-SNVBAGLBSA-N 320.349 -0.301 30 20 DBED C=C[C@@](C)(CC)C(=O)N(C)C[C@@H](O)CNC(=O)Cn1cncn1 1756675765 JFNSOQJLXYGTRN-WFASDCNBSA-N 323.397 -0.184 30 20 DBED C[C@H](S)C(=O)N1CC2(CCCN2C(=O)[C@@H]2CCC(=O)N2)C1 1842737687 SGDMLFGKXJHEQE-UWVGGRQHSA-N 311.407 -0.213 30 20 DBED CCS(=O)(=O)NCCn1cc(C(=O)OC)cc(C#N)c1=O 68050272 QQERDEPGSDBNCA-UHFFFAOYSA-N 313.335 -0.554 30 20 DBED CCNS(=O)(=O)[C@@H]1CCN(CC(=O)N(CC)CCC#N)C1 92841806 VWTRTIVPIUOWSM-GFCCVEGCSA-N 316.427 -0.238 30 20 DBED CCN(C[C@@H](C)C#N)C(=O)CN1CCO[C@H](CNC(C)=O)C1 172191282 QAWMZMFZMFSTEB-GXTWGEPZSA-N 310.398 -0.169 30 20 DBED C=CCS(=O)(=O)CCNC(=O)c1ccc(C(=O)NC)nc1 272926730 YXENCXYGCUKMPY-UHFFFAOYSA-N 311.363 -0.228 30 20 DBED CCOC(=O)c1cnn2c(C(=O)NCC#CCO)ccnc12 283013153 WRTJXZLPVMKTCP-UHFFFAOYSA-N 302.290 -0.369 30 20 DBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cnn(C)n1 285451115 ZIELYSSYPIGYFN-JTQLQIEISA-N 312.337 -0.172 30 20 DBED C=CCCOCCNC(=O)C(=O)N[C@H](C)CN1CCCC1=O 286087380 NPQNUTSQJITYFV-GFCCVEGCSA-N 311.382 -0.178 30 20 DBED CC1(O)CN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 291542424 LIPSJIAXYUPVFY-UHFFFAOYSA-N 309.347 -0.570 30 20 DBED CCN(C[C@H](C)C#N)C(=O)CN1[C@H](C)C(=O)N(C)S1(=O)=O 294894639 BIKUCSOIFZSLBX-NXEZZACHSA-N 316.383 -0.598 30 20 DBED COCCN1C[C@H](C(=O)Nc2nc(C#N)c(C#N)[nH]2)CC1=O 298473112 ZXOFLVHXEQRHBZ-MRVPVSSYSA-N 302.294 -0.414 30 20 DBED C#CCN1CCC(C(=O)N2CCN(C(=O)COC)CC2)CC1 299175564 WTFRXQQRSYNVSN-UHFFFAOYSA-N 307.394 -0.351 30 20 DBED C/N=C(/O)NC1CN(/C(O)=N/[C@H](C)CO[C@@H]2CCOC2)C1 328705419 PFVNVXXEVDGROA-MWLCHTKSSA-N 300.359 -0.088 30 20 DBED CS(=O)(=O)CC1(C/N=C(/O)N2C[C@H]3COC[C@@H](C2)O3)CC1 328756862 ULYUHLKVDKJCEA-PHIMTYICSA-N 318.395 -0.175 30 20 DBED CC[C@H](N/C(O)=N/C[C@]1(O)CCOC1)C(=O)N1CCOCC1 328831530 KYSPBAODALTCAL-SMDDNHRTSA-N 315.370 -0.721 30 20 DBED O=C1C[C@H](C/N=C(/O)N2CCN3CCOC[C@@H]3C2)CN1C1CC1 329838315 MJGHPVPJBJGLQF-OCCSQVGLSA-N 322.409 -0.072 30 20 DBED C[C@](C#N)(NC(=O)CN1CCC[C@@H](S(N)(=O)=O)C1)C1CC1 331918763 UYCSHOKVMWNTAM-DGCLKSJQSA-N 314.411 -0.452 30 20 DBED CO[C@@H]1C[C@H](NS(=O)(=O)N2CCO[C@@H](C#N)C2)C1(C)C 336931041 BKXAFBSWKGTIPG-GARJFASQSA-N 303.384 -0.141 30 20 DBED COC[C@@](C)(NS(=O)(=O)N(C)C[C@H](C)C#N)C(=O)OC 336942924 KXFBCAGHHOQKEE-MWLCHTKSSA-N 307.372 -0.510 30 20 DBED Cc1nn(C)cc1[C@H](C)NS(=O)(=O)N1CCO[C@@H](C#N)C1 337067765 LWMAWCVTCTVDSN-QWRGUYRKSA-N 313.383 -0.152 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)NCC1(O)CCN(C)CC1 337092054 LYPRRUIAHJFBJZ-GFCCVEGCSA-N 318.443 -0.241 30 20 DBED C=CCN1CCC(NC(=O)C(=O)N[C@@H]2CCCN(C)C2=O)CC1 343770458 UEIQCBNVGDNRMJ-CYBMUJFWSA-N 322.409 -0.510 30 20 DBED C[C@H]1CCNC(=O)[C@H]1NCCS(=O)(=O)c1ccc(C#N)cn1 343938896 LPPDNWJNFXMBCI-GWCFXTLKSA-N 322.390 -0.159 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@H](N)C(F)(F)F)CC1 353460545 OZLPFHKFAGWCPY-JTQLQIEISA-N 308.304 -0.678 30 20 DBED C=C[C@@H](CO)NC(=O)N[C@H]1CCCN(S(=O)(=O)N(C)C)C1 359659590 RWXPIZCXAKWVAR-QWRGUYRKSA-N 320.415 -0.897 30 20 DBED N#CCN1CCN(C(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)CC1 365908693 PUBCMUMWDAHJHC-NSHDSACASA-N 302.338 -0.570 30 20 DBED N#Cc1ccc(OCCNC(=O)C(=O)N2CC[C@@H](N)C2)cc1 419469890 XEUQITMYMDVNGJ-GFCCVEGCSA-N 302.334 -0.387 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3)nn1 424539580 FSHNOEDUSZDDHG-NEPJUHHUSA-N 318.381 -0.567 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H]1CCC(=O)N(C)C1=O 425230024 UKQYLBLNZAQIFL-RKDXNWHRSA-N 302.356 -0.940 30 20 DBED CNC(=O)[C@H](CO)NS(=O)(=O)c1c(F)cc(C#N)cc1F 440083092 XDWFPRYDELVDPA-VIFPVBQESA-N 319.289 -0.778 30 20 DBED CN([C@H]1CCN(S(C)(=O)=O)C1)S(=O)(=O)CCCC#N 490111865 FGTQAXVAEZZWIU-JTQLQIEISA-N 309.413 -0.414 30 20 DBED C#CCN(CC#N)C(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1 491013422 JIBYVBQKKXNYCS-SNVBAGLBSA-N 309.351 -0.928 30 20 DBED C#CCNC(=O)CN1CCN(CCOC[C@@H]2CCCO2)CC1 491229934 JYBWWRWAGKCOGF-HNNXBMFYSA-N 309.410 -0.451 30 20 DBED C#CCNC(=O)CCNC[C@@H](O)COc1ccc2c(c1)OCO2 491415898 ISMJLAVJHFRABB-GFCCVEGCSA-N 320.345 -0.116 30 20 DBED CCOC(=O)N1CC[C@H](NS(=O)(=O)N(C)CCC#N)C1 495347152 IWJFPKCUECBFNP-JTQLQIEISA-N 304.372 -0.103 30 20 DBED C=CCNC(=O)CNC(=O)[C@H](C)n1cnc2c(N)ncnc21 613293193 PZXYZPLUZCFDSH-QMMMGPOBSA-N 303.326 -0.612 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C)C2(CO)CC2)C1=O 617906188 QXHLWNUBNNRLTE-VIFPVBQESA-N 309.322 -0.760 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N1CC(=O)N(CC2CC2)C1 619751644 URVMQHDLHSRGQT-JTQLQIEISA-N 300.384 -0.023 30 20 DBED C#Cc1ccc(C(=O)N2CCN(C(=O)C(=O)OCC)CC2)nc1 736131635 QAQCASKVAQQOIB-UHFFFAOYSA-N 315.329 -0.090 30 20 DBED CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)C(C)(CO)CO 754866981 YHSLHSOHVSBHEA-IINYFYTJSA-N 300.355 -0.037 30 20 DBED CS(=O)(=O)N1CCN(CC(=O)[C@@H](C#N)c2ccccn2)CC1 778606601 ZPAUALPAHAZPEJ-LBPRGKRZSA-N 322.390 -0.165 30 20 DBED C=CCS(=O)(=O)CCNC(=O)NCCN1CCOC[C@@H]1C 783006042 NCEMLFWKWOKEEQ-LBPRGKRZSA-N 319.427 -0.393 30 20 DBED C#CCNC(=O)[C@@H](C)OC(=O)[C@](C)(O)Cn1ccc(C)cc1=O 790694373 XCOXDZKEMFYRSN-MLGOLLRUSA-N 320.345 -0.411 30 20 DBED C#CCCCNC(=O)C(=O)N1CCC[C@@H]1CN1CCOCC1 806912311 LWHCZCRRLAELJW-CQSZACIVSA-N 307.394 -0.161 30 20 DBED N#Cc1c(NC[C@@H]2CC(C(N)=O)=NO2)cccc1S(N)(=O)=O 808043900 QBRMLEKDHRQHSO-ZETCQYMHSA-N 323.334 -0.752 30 20 DBED C#CCCS(=O)(=O)NC(=O)[C@@H]1CC(=O)N(CC(C)C)C1 810784262 YOFFISKBDIREHD-LLVKDONJSA-N 300.380 -0.040 30 20 DBED COC(=O)CN(CC#N)C(=O)c1c(Br)nnn1C 811904490 DMXIBSQLKCLIEX-UHFFFAOYSA-N 316.115 -0.284 30 20 DBED O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N[C@H]1CCN(O)C1=O 816695154 WMLNHYHPNFLXKW-JTQLQIEISA-N 322.277 -0.569 30 20 DBED O=C(C#Cc1cccs1)NCC(=O)NCCN1CCOCC1 825835656 MUWWSLTUMNZPQE-UHFFFAOYSA-N 321.402 -0.336 30 20 DBED CCN(OC)C(=O)CNS(=O)(=O)N(CCC#N)CCOC 828169952 MKXRFPUQFPMLRN-UHFFFAOYSA-N 322.387 -0.907 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)OCc2cnsn2)C1=O 848712446 HNOQYWATWLXIST-UHFFFAOYSA-N 310.291 -0.442 30 20 DBED C#CCSCC(=O)NCCS(=O)(=O)N1CCSCC1 888845444 CYIVIICXKKVRHQ-UHFFFAOYSA-N 322.477 -0.152 30 20 DBED CN(C)CC#CCNC(=O)CCn1nnc2ccccc2c1=O 913515609 FIEWTXCITXVYSU-UHFFFAOYSA-N 313.361 -0.137 30 20 DBED CN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CCN(C(=O)CC(N)=O)C1 936948295 UKGLCLMHNZTRIK-SNVBAGLBSA-N 303.322 -0.565 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@H](NC(=O)[C@@H]3COC(=O)N3)C2)c1 937891577 HOAGGNNUCBQJLZ-ONGXEEELSA-N 317.305 -0.675 30 20 DBED C[C@@H](C#N)C(=O)N1CCCC[C@H](NC(=O)Cn2cnnn2)C1 943076736 ZBEKXQPIDYFWQI-QWRGUYRKSA-N 305.342 -0.670 30 20 DBED C#CCN1CCC[C@@H](N(C)C(=O)CN2CCOCC2=O)CC1 948442248 LVANGMAQBCMXJC-CQSZACIVSA-N 307.394 -0.209 30 20 DBED N#CCN1CCC2(CC1)CN(C(=O)[C@H]1CCNC1=O)CCO2 949154145 QHCRUIDWOPOFJD-LBPRGKRZSA-N 306.366 -0.661 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@](C)(NC(=O)c2nnc(O)nc2O)C1 957235989 QEFQQNAUHQNYMB-WPPNPWJKSA-N 320.309 -0.837 30 20 DBED C#Cc1cncc(C(=O)N[C@]2(C)CCN(C(=O)C(N)=O)C2)c1 957535083 GJGVKQUXKYTZEM-OAHLLOKOSA-N 300.318 -0.731 30 20 DBED CC#CCN1C[C@H](O)[C@H](CNC(=O)c2cnn3ccncc23)C1 958145590 NRAABDQPQRTSRL-DOMZBBRYSA-N 313.361 -0.225 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2cc3c(cn2)OCCO3)C1 958147757 BFGJCNOBQZCTEW-YPMHNXCESA-N 317.345 -0.492 30 20 DBED C=CCN1CC[C@H](N2C[C@H]3[C@H](NC(=O)c4cn[nH]c4)[C@H]3C2)C1=O 958311200 JYSASNMIBBBLKV-RFQIPJPRSA-N 315.377 -0.143 30 20 DBED C=CCN1C[C@H](O)[C@H](CNC(=O)c2c(C)nn(C)c2OC)C1 958450125 YJTSQEJADFOZHT-NEPJUHHUSA-N 308.382 -0.054 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2CN(CC3CC3)C[C@@H]2O)nn1 958472322 SYHHJWRHFJUNDG-OCCSQVGLSA-N 305.382 -0.103 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2cnn(CC3CC3)c2)C1 958574315 NQXVXNRJKBBLLI-HIFRSBDPSA-N 302.378 -0.051 30 20 DBED CC#CCN1C[C@H](O)[C@H](CNC(=O)c2cnn(C)c2OC)C1 958626699 PWVSYGGRCCLGBC-YPMHNXCESA-N 306.366 -0.526 30 20 DBED C=CCCn1cc(C(=O)N2C[C@H](O)[C@H](NC(=O)C(C)C)C2)nn1 961616245 NHMQBSVHNTZHJM-YPMHNXCESA-N 321.381 -0.188 30 20 DBED C=CCCn1cc(C(=O)N[C@H]2[C@@H]3CN([C@@H](C)C(N)=O)C[C@@H]32)nn1 961997334 ACAPMFYGHGCLEX-MEWQQHAOSA-N 318.381 -0.612 30 20 DBED Cc1ncc(C(=O)NC[C@@H]2COCCN2C(=O)[C@@H](C)C#N)n1C 964307237 BTKOAQPJVIXWJO-CMPLNLGQSA-N 319.365 -0.155 30 20 DBED C[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1NC(=O)c1cnn[nH]1 966284076 CPIHQPHGULGZOA-QPUJVOFHSA-N 313.321 -0.105 30 20 DBED O=C(C#CC1CC1)N1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cncn1 970057592 MMLSMUGEIRRFLL-OKILXGFUSA-N 313.361 -0.107 30 20 DBED CC#CCN1CCO[C@@]2(CCN(C(=O)[C@H]3CN(C)CCO3)C2)C1 972317257 SVQCOBXJTWRHSD-WBVHZDCISA-N 321.421 -0.356 30 20 DBED N#CCN1CCO[C@]2(CCN(C(=O)c3ccc(C(N)=O)[nH]3)C2)C1 972554364 PMAYKLFGQPLHNE-OAHLLOKOSA-N 317.349 -0.446 30 20 DBED O=C(C[C@@H]1CCNC1=O)N[C@H]1[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]21 976632637 JTQNVAXFVRHFKP-BCUIYNNISA-N 315.373 -0.501 30 20 DBED CN(C[C@H]1CCN1C(=O)c1cc(C#N)c[nH]1)C(=O)c1nc[nH]n1 978191652 HCFLTGICSZDORB-SNVBAGLBSA-N 313.321 -0.009 30 20 DBED C#CCN[C@H]1CCC[C@H](NC(=O)CN2C(=O)CN(C)C2=O)C1 981506613 PSOLALQCAGACNG-RYUDHWBXSA-N 306.366 -0.469 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)c3nc[nH]n3)C[C@H]2C1 986593588 IKSAXCIVHWOCBP-MXWKQRLJSA-N 302.338 -0.115 30 20 DBED N#Cc1c[nH]c(C(=O)NC2CN(C(=O)CO[C@@H]3CCOC3)C2)c1 990698908 KPSKPAPTBCEUPW-GFCCVEGCSA-N 318.333 -0.368 30 20 DBED O=C(N[C@H]1CCN(C(=O)C#CC2CC2)C[C@H]1O)c1cnccn1 991245508 OXLDUXCSWOGTMS-GXTWGEPZSA-N 314.345 -0.418 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CN(C(=O)Cc3nc[nH]n3)C[C@@]2(C)C1 993350848 FVFCXSDFEBESLN-HFAKWTLXSA-N 316.365 -0.186 30 20 DBED C[C@@H](C#N)C(=O)N1CC(N2C[C@H](NC(=O)C(F)F)CC2=O)C1 995465266 PFSAVCCSGRPEBV-JGVFFNPUSA-N 314.292 -0.661 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC(CNC(=O)c2cocn2)C1 1001194926 JQIXRAVTOPZEQH-AWEZNQCLSA-N 316.361 -0.040 30 20 DBED C#Cc1ccc(C(=O)NCC2CN(C(=O)Cn3nccn3)C2)nc1 1003468535 SUNMBUHWHAQQGR-UHFFFAOYSA-N 324.344 -0.457 30 20 DBED C=C[C@@](C)(CC)C(=O)N1CCN(C(=O)Cn2ncnn2)CC1 1011176671 PQRYJINOKCAWFC-AWEZNQCLSA-N 306.370 -0.054 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H]2C(NC(=O)[C@H]3CCNC3=O)[C@@H]2C1 1013543998 NYKHNHQORVWLGK-HBNTYKKESA-N 305.378 -0.092 30 20 DBED C#CCN1CC[C@H]2[C@@H](CCCN2C(=O)Cn2c(O)nnc2O)C1 1021722759 QDPWPHAFCZKVQB-RYUDHWBXSA-N 319.365 -0.365 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CCN(C(=O)c3nnn(C)n3)[C@@H]2C1 1022410693 MGSNZMXUAFLDRK-KXUCPTDWSA-N 303.326 -0.957 30 20 DBED CC[C@H](OC)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 1023328059 VVUKCKHUICISKA-UPJWGTAASA-N 320.349 -0.387 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2CCCN2[C@@H](CC)C(N)=O)nn1 1028187835 OQCPOVSXJOTZBG-YPMHNXCESA-N 320.397 -0.078 30 20 DBED CC#CCN1CC[C@@H](CNC(=O)[C@@H]2CCN(C)S2(=O)=O)C1 1028861738 BHFZSAISLUKFAY-STQMWFEESA-N 313.423 -0.518 30 20 DBED C#CCN1[C@H]2CC[C@H]1CN(C(=O)[C@H]1CCc3nnc(O)n3C1)C2 1029364480 ZBWIRHNLUCCXQX-AVGNSLFASA-N 315.377 -0.146 30 20 DBED C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3Cc2nnn(C)n2)nc1 1032738016 MTNMMWJZEUPWDK-STQMWFEESA-N 323.360 -0.315 30 20 DBED C=CCN1CCO[C@@H](CNC(=O)[C@@H]2COCCN2C(C)=O)C1 1035607846 XNXQFKMXEVYODB-KBPBESRZSA-N 311.382 -0.763 30 20 DBED N#Cc1cnc(N[C@H]2C[C@H](NC(=O)C(N)=O)C23CCC3)cn1 1041612135 QPCYYFDRWPUTDQ-UWVGGRQHSA-N 300.322 -0.327 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(O)(CNC(=O)C2=COCCC2)C1 1041977103 YSKCKOQJNUQRMT-HNNXBMFYSA-N 324.377 -0.303 30 20 DBED C#CCN1CC[C@@H]2CCN(C(=O)CN3CC(=O)N(C)C3=O)C[C@@H]21 1042311323 JBPAYIFRVKWAAL-OLZOCXBDSA-N 318.377 -0.564 30 20 DBED CC(C)OCC(=O)N1CC(O)(CNC(=O)c2cc(C#N)c[nH]2)C1 1042400586 DOSDAPSHICZXFO-UHFFFAOYSA-N 320.349 -0.386 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)Cc2cnc[nH]2)C1 1042801646 OPRKXWUSUVZSLE-UHFFFAOYSA-N 304.350 -0.555 30 20 DBED C#CCCN1CC(N(C)C(=O)C2CC3(C2)CS(=O)(=O)C3)C1 1043077998 BXQHUDVVMBYBGW-UHFFFAOYSA-N 310.419 -0.023 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)C23CCN(CC2)C3)C1 1044024115 ZNBLXDCSFUGFJQ-UHFFFAOYSA-N 321.421 -0.016 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)[C@@]34COC[C@@H]3C4)C2)nn1 1044697699 VECXMHRPWAZZNE-LIBKGXAOSA-N 315.333 -0.950 30 20 DBED N#Cc1cnc(N2C[C@H](O)[C@H](NC(=O)c3cnn[nH]3)C2)c(F)c1 1044788624 QBCWDNATTBRDOR-MNOVXSKESA-N 317.284 -0.810 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)Cc2cccnc2)C1 1045540590 JFGQDRRVGFKRBF-NSHDSACASA-N 302.334 -0.527 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)[C@@H](C)c2cncnc2)C1 1045564211 DSTREDPYQHQQGQ-QWRGUYRKSA-N 317.349 -0.571 30 20 DBED Cn1ncc(C(=O)NC[C@H]2C[C@H](N=c3cc[nH]c(C#N)n3)C2)n1 1046853018 YCIGIDVRUIDGOX-MGCOHNPYSA-N 312.337 -0.481 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(=O)n(CCC)n2)C1 1047624415 NWLQEVYOMDNLAA-KBPBESRZSA-N 320.393 -0.044 30 20 DBED C=C[C@@](C)(O)CC(=O)N(C)[C@H]1CN(C(=O)c2cc[nH]n2)C[C@@H]1O 1048757734 MFNGQAWBHDHRNT-SLEUVZQESA-N 322.365 -0.620 30 20 DBED C#CCN1C[C@H]2CN(C(=O)Cc3nnn(C(C)(C)C)n3)C[C@H]2C1 1048838112 CQPFDQIZYAZQDO-BETUJISGSA-N 316.409 -0.006 30 20 DBED C=CCN1CCOC[C@@H]1CNC(=O)c1cnc2[nH]nnc2c1 1050955166 IBMJGYCUSNSQFI-NSHDSACASA-N 302.338 -0.031 30 20 DBED C#CCCN1CCOC[C@@H]1CNC(=O)c1cnc2[nH]nnc2c1 1050956029 VBDPICJQYIGIIJ-LBPRGKRZSA-N 314.349 -0.193 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)[C@H]1CCc2c[nH]nc2C1 1051253731 YHTRAIBUSKNVJQ-JSGCOSHPSA-N 302.378 -0.035 30 20 DBED N#Cc1ccc(N2CC[C@@H](NC(=O)c3cocn3)[C@@H](O)C2)nn1 1051640121 VZMZGJJKIQFRFR-PWSUYJOCSA-N 314.305 -0.294 30 20 DBED C#CCN1CC2(C1)CN(C(=O)COc1cc(C)on1)CCO2 1053295575 HJLOAQDZEOLLGM-UHFFFAOYSA-N 305.334 -0.092 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)c1cn(C)nc1OC)CCO2 1053371081 VVGHYQMMOOOMMK-UHFFFAOYSA-N 318.377 -0.021 30 20 DBED C#CCN1CC2(C1)CN(C(=O)[C@@H]1CCC[C@@H](C(N)=O)C1)CCO2 1053452964 KEBAXQFJIQYOPS-ZIAGYGMSSA-N 319.405 -0.176 30 20 DBED N#CCN1CC2(CC[C@H](CNC(=O)c3cc(C(N)=O)c[nH]3)O2)C1 1053680171 YQRSZVYCXRXMKM-LLVKDONJSA-N 317.349 -0.400 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)C[C@@H]3COC(=O)C3)CO2)C1 1053777614 NOISXPBPPUMZHG-QWHCGFSZSA-N 306.362 -0.078 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)c3ccn4nnnc4c3)CO2)C1 1053891009 NMWHUCZERNVKDB-LLVKDONJSA-N 313.321 -0.779 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2COC3(C2)CN(CCCO)C3)nn1 1053949750 OIFUILGCYCDZGQ-LBPRGKRZSA-N 321.381 -0.580 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)[C@@H](C)N3CCCCC3=O)CO2)C1 1054016670 HNXMPWBWKBENBU-ZIAGYGMSSA-N 319.405 -0.020 30 20 DBED C=CCCC(=O)N1C[C@H]2CN(C(=O)CCn3cnnn3)C[C@H]2C1 1055234934 JZHPDALMHNKTSZ-BETUJISGSA-N 318.381 -0.054 30 20 DBED C[C@H](C#N)C(=O)N[C@]1(CO)CCCN(C(=O)c2ncn(C)n2)C1 1056094259 RIYYBHHHHYHPIB-QMTHXVAHSA-N 320.353 -0.942 30 20 DBED CN1CCO[C@@H](C(=O)N2CC[C@@H](N=c3cc[nH]c(C#N)n3)C2)C1 1056599608 KQKKTUOOBREKAT-VXGBXAGGSA-N 316.365 -0.886 30 20 DBED N#CCSCC(=O)N(CCO)CCNC(=O)c1cncnc1 1057026780 LOYATXFPYQHGFI-UHFFFAOYSA-N 323.378 -0.716 30 20 DBED C#CCCCCC(=O)N(CCO)CCNC(=O)c1cnnn1C 1057388218 IANXWDXXCHAJPP-UHFFFAOYSA-N 321.381 -0.441 30 20 DBED N#Cc1c[nH]ccc1=NC1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1 1057427001 MHXDDQSUAPRZLK-OLZOCXBDSA-N 313.361 -0.101 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)c1ccn(C)n1 1057637022 DLDKGFTYUZRAHO-UHFFFAOYSA-N 306.366 -0.226 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)C12CCN(CC1)C2 1058161956 FJKDYGYJDFUEFC-UHFFFAOYSA-N 321.421 -0.321 30 20 DBED C[C@@]1(C(=O)N[C@H]2CCN(c3cnc(C#N)cn3)C2)CCNC1=O 1058541484 LTLUHURPVWGMCU-ZUZCIYMTSA-N 314.349 -0.431 30 20 DBED C=CCCCC(=O)N(CCO)CCNC(=O)CCn1ccnn1 1058622019 XTGFXLGPTZHPLC-UHFFFAOYSA-N 323.397 -0.038 30 20 DBED CN(C[C@H]1CCCN(C(=O)CC(N)=O)C1)c1cnc(C#N)cn1 1058682235 YCLQNCKVBYMVLZ-LLVKDONJSA-N 316.365 -0.102 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1COCCN1C(=O)c1cnn[nH]1 1061568819 RMRNPIVJXGLINO-LLVKDONJSA-N 305.338 -0.579 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)C1CCOCC1 1061848703 UEWQEJLYHBMAQQ-WCQYABFASA-N 309.366 -0.084 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)CN(C)C1CCC1 1061852495 IXFKOKWMJOCNFO-TZMCWYRMSA-N 322.409 -0.026 30 20 DBED C=C[C@@](C)(O)CC(=O)NC1(CNC(=O)Cn2cnnn2)CCC1 1062499283 CWKJXXPURHFZAK-CYBMUJFWSA-N 322.369 -0.845 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)CNC(=O)C2CC2)CCC1 1062622201 PJJLSPSQDCVBOO-SNVBAGLBSA-N 306.366 -0.173 30 20 DBED CN1CCOC[C@@H]1C(=O)NCC1(NC(=O)C#CC2CC2)CCC1 1062823832 FRODAEYRKQPDOO-CQSZACIVSA-N 319.405 -0.115 30 20 DBED C#CCO[C@H](C)C(=O)N1CCO[C@H](CNC(=O)COCC)C1 1065152597 MJMZPVTVXYZQTK-CHWSQXEVSA-N 312.366 -0.595 30 20 DBED C[C@@]1(CN=c2cc[nH]cc2C#N)CCN(C(=O)CC(N)=O)C1 1065403198 RVNXYVZPBZDCRB-HNNXBMFYSA-N 301.350 -0.099 30 20 DBED CCN(C)CCC(=O)NC[C@H]1CN(C(=O)[C@@H](C)C#N)CCO1 1065557510 RSIJMLBXGDSRCC-STQMWFEESA-N 310.398 -0.169 30 20 DBED N#Cc1cccnc1N1CCOC[C@@H]1CNC(=O)c1cnon1 1066497054 LCYQZEMMDICWEN-NSHDSACASA-N 314.305 -0.029 30 20 DBED N#Cc1cnccc1N1C[C@@H](O)[C@@H](CNC(=O)c2cc[nH]n2)C1 1067650831 CSQVAHBNLKHUNC-SMDDNHRTSA-N 312.333 -0.097 30 20 DBED N#Cc1cncc(NCC2CC(NC(=O)[C@H]3C[C@H]3C(N)=O)C2)n1 1067886515 OFLFYKFGARBNRX-FZOPHOIVSA-N 314.349 -0.224 30 20 DBED Cn1cc(C(=O)N2C[C@H]3CC[C@H]2CN3c2nccnc2C#N)nn1 1068042092 SBKKUKPBTOLYSW-MNOVXSKESA-N 324.348 -0.030 30 20 DBED C#CCCCCC(=O)N[C@@H]1COC2(C1)CN(C(=O)CC(N)=O)C2 1068818721 ASOQJHFGFPMQMW-LBPRGKRZSA-N 321.377 -0.459 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)[C@@H]2[C@H]3COC[C@H]32)CCOCC1 1070207314 RERCKHBIUCJSKB-WUHRBBMRSA-N 321.377 -0.180 30 20 DBED C[C@]1(C(=O)N2C[C@H](n3ccnn3)[C@H](NCC#N)C2)CCOC1 1070302876 LEYHZSDWVFRXKB-DYEKYZERSA-N 304.354 -0.430 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@@H](NC(=O)CCCF)C1 1070639338 FQRVXJBDIFEKMH-GFCCVEGCSA-N 311.357 -0.017 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@@H](NC(=O)CCN(C)C)C1 1070640512 LMXRYUDSUKEFQL-CYBMUJFWSA-N 322.409 -0.815 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)c2cnc(C)[nH]2)CC1 1070947344 SITFJUHUSAWYAD-UHFFFAOYSA-N 303.366 -0.385 30 20 DBED C#CCCN1CC[C@@]2(C1)CN(C(=O)Cn1cncn1)C[C@@H](C)O2 1071237856 DPEWLDRJAHCRME-GDBMZVCRSA-N 317.393 -0.007 30 20 DBED C#CCOCCC(=O)N1C[C@@H](NC(=O)C(C)(C)C(N)=O)[C@H](C)C1 1072097186 JXZBGHBNVYBJJM-VXGBXAGGSA-N 323.393 -0.499 30 20 DBED C=CCOCCCC(=O)N1CCC(C)(NC(=O)C(N)=O)CC1 1072927270 LWUSFOLNDIDKOH-UHFFFAOYSA-N 311.382 -0.048 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)c2cnc3[nH]nnc3c2)C1 1073639570 IXXICODBAGQEQZ-LBPRGKRZSA-N 314.349 -0.193 30 20 DBED N#CCN1CCO[C@@H]2CCN(C(=O)c3cc[n+]([O-])cc3)C[C@H]21 1074158872 VXKVHNKHCQEEGS-ZIAGYGMSSA-N 302.334 -0.241 30 20 DBED CC(C)C#CC(=O)N1CC[C@@H]2CN(C(=O)C(N)=O)C[C@@H]2CC1 1074330698 MTMRDCNSUYJJCU-BETUJISGSA-N 305.378 -0.172 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@@H]2CN(C(=O)C(N)=O)C[C@@H]2CC1 1074333055 QKGCRIXJTPCKET-RWMBFGLXSA-N 321.377 -0.793 30 20 DBED C[C@@H](CCNC(=O)c1ccc(C#N)[nH]1)NC(=O)[C@H]1COC(=O)N1 1076177969 WXFXLIJZFLGECA-GZMMTYOYSA-N 319.321 -0.381 30 20 DBED C#CCO[C@H](C)C(=O)NCC[C@H](C)NC(=O)CC(=O)NCC 1076510928 YBWFROAFGLJXDZ-NWDGAFQWSA-N 311.382 -0.438 30 20 DBED CC(C)(C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CN(CC#N)C[C@H]1O 1077040059 ACIMBLRGXHJMJG-JHJVBQTASA-N 322.409 -0.292 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2sccc2-n2cnnn2)C1 1077292616 IBCCLCGIKRWLPF-PSASIEDQSA-N 319.350 -0.978 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)Cn2c(O)nc3ccccc32)C1 1077736665 AXPCSLBITALNAY-DGCLKSJQSA-N 315.333 -0.573 30 20 DBED C#CCOc1ccc(C(=O)N[C@@H]2CN(CCO)C[C@H]2O)cc1 1077797993 SWQGFJVOSYKZID-HUUCEWRRSA-N 304.346 -0.534 30 20 DBED C[C@@H](CCNC(=O)CS(=O)(=O)N(C)C)NC(=O)[C@H](C)C#N 1077805145 JIKZBOQROBEIPL-ZJUUUORDSA-N 318.399 -0.952 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCN(C(=O)CC)C2)C1 1077953742 KXNMKBXHJJOAKG-BFHYXJOUSA-N 309.410 -0.018 30 20 DBED C[C@@H](C#N)C(=O)N1CCCO[C@H](CNCc2cn(C)nn2)C1 1078358745 WBMHEWHGMQRUGV-WCQYABFASA-N 306.370 -0.318 30 20 DBED C#CCNC(=O)CC(=O)N1CC(N(CC)C(=O)[C@H](C)OCC)C1 1079362278 NRLALDZLGHRGOX-LBPRGKRZSA-N 323.393 -0.390 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(N(CC)C(=O)[C@H](C)NC(N)=O)C1 1079668294 YIEUPUVVNPUKEQ-WDEREUQCSA-N 324.381 -0.859 30 20 DBED COCCC(=O)NC[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1O 1081149963 PCIOIQUCRGWESQ-YPMHNXCESA-N 320.349 -0.528 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)c2ncccn2)C[C@@H]1O 1081335647 NMCPZOZSSYODQF-NEPJUHHUSA-N 304.350 -0.008 30 20 DBED Cc1ocnc1C(=O)N1C[C@H](O)[C@H](CNC(=O)C#CC2CC2)C1 1081471144 JTDXNDLKHBREES-OLZOCXBDSA-N 317.345 -0.054 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1ccn(CCN(C)C)n1 1081686323 PSYXKEKEEUGWCO-ZIAGYGMSSA-N 320.397 -0.603 30 20 DBED C=CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)C1CN(C(C)=O)C1 1083063322 DTPBOLLCKNWWTJ-LSDHHAIUSA-N 307.394 -0.048 30 20 DBED COc1cc(O)ncc1C(=O)N1CCO[C@@H]2CN(CC#N)C[C@@H]21 1083195959 YPPWKCAIZFBBNN-WCQYABFASA-N 318.333 -0.155 30 20 DBED CC(=O)N1CCC[C@H]1C(=O)N1CCO[C@@H]2CN(CC#N)C[C@@H]21 1083252325 HTQYTUPGIRCXGE-MELADBBJSA-N 306.366 -0.568 30 20 DBED C[C@@H]1CCc2nc(C(=O)N[C@@H]3CN(CC#N)C[C@@H]3O)cn2C1 1083566794 BLBKIGMHDSSJAT-WZRBSPASSA-N 303.366 -0.236 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@H]2COCCN2C2CCCC2)C1 1083722977 PUDUYSCGUUVCCR-OAGGEKHMSA-N 321.421 -0.576 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCCc3nn[nH]c32)C1 1083733959 MABXXMXFRLVJCJ-RTXFEEFZSA-N 305.382 -0.038 30 20 DBED C=C(C)CCN1CC[C@@H]2CN(C(=O)CN3CCNC(=O)C3)[C@@H]2C1 1084573216 JNBDWWXRSDYOMW-HUUCEWRRSA-N 320.437 -0.083 30 20 DBED Cn1nc(C2CC2)cc1C(=O)N[C@@H]1CCN(CC#N)C[C@H]1O 1090294016 WNNMFISVGZRFSL-BXUZGUMPSA-N 303.366 -0.014 30 20 DBED C=CCCN1CC[C@@H](NC(=O)c2cc(=O)n(C)cn2)[C@@H](O)C1 1090336249 FRJSBSZBHDYZRZ-YPMHNXCESA-N 306.366 -0.479 30 20 DBED C#CCN1CC[C@H](NC(=O)c2ccnc3c2CC(=O)N3)[C@@H](O)C1 1090393342 JEMSBBCLNITEIC-STQMWFEESA-N 314.345 -0.626 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(c2cc(C)nc(C)n2)C[C@H]1O 1090494258 AAQSGZXZVDBJKA-ZIAGYGMSSA-N 318.377 -0.201 30 20 DBED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(N)=O)[C@H](O)C2)cc1F 1090533225 XRPSUHNGUBZOSC-CHWSQXEVSA-N 320.324 -0.766 30 20 DBED CCOCC(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1OC 1090858728 QSOJSCUPAPUNJG-VXGBXAGGSA-N 305.338 -0.295 30 20 DBED CCN(CC)CC(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1091108428 DFCDXQSXDAPLQV-OLZOCXBDSA-N 318.381 -0.644 30 20 DBED N#Cc1ccc(N[C@H]2C[C@@H](CNC(=O)Cn3cnnn3)C2)cn1 1091311158 WAIOPELFSAEAJE-GSJFWJNXSA-N 312.337 -0.053 30 20 DBED N#Cc1ccc(N[C@H]2C[C@H](CNC(=O)Cn3ncnn3)C2)nn1 1091482992 VCIMZRLCNKUPHB-HOMQSWHASA-N 313.325 -0.658 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CCN(c2ncc(F)cn2)[C@@H]1C 1091957795 OXPZMXIODRKUDB-PWSUYJOCSA-N 319.340 -0.161 30 20 DBED C[C@H](CC(N)=O)C(=O)NC1[C@H]2CN(c3ccc(C#N)nn3)C[C@H]12 1093329966 ANBTXHPWZOMKIG-MIMYLULJSA-N 314.349 -0.589 30 20 DBED CNC(=O)[C@H](C)N1CC(OC2CCN(C(=O)[C@@H](C)C#N)CC2)C1 1093517509 PXQWERWBCSKNEN-RYUDHWBXSA-N 322.409 -0.028 30 20 DBED Cc1nc(NCCNC(=O)[C@@H]2CCS(=O)(=O)N2)ccc1C#N 1093647135 ZSHSHCRZHVQVTK-NSHDSACASA-N 323.378 -0.519 30 20 DBED COc1cc(C(=O)NCCNc2cnc(C#N)cn2)nn1C 1094262293 BBYUPKXCGKFSML-UHFFFAOYSA-N 301.310 -0.068 30 20 DBED C=CCN1CC(n2cc(CNC(=O)[C@H]3CCCNC3=O)nn2)C1 1094298084 FGGTWZYIJYRWEB-ZDUSSCGKSA-N 318.381 -0.537 30 20 DBED CCS(=O)(=O)CC(=O)NCCCNc1cnc(C#N)cn1 1094456090 TUJANEFWKBKRDO-UHFFFAOYSA-N 311.367 -0.299 30 20 DBED Cc1cc(C#N)nc(N2CC[C@H](NC(=O)CC(=O)N(C)C)C2)n1 1096488751 RVIVZTPGSMSRTB-NSHDSACASA-N 316.365 -0.170 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](Nc2nccc(OC)n2)C1 1096934224 DPKXSZNDNUEVOP-NSHDSACASA-N 317.349 -0.363 30 20 DBED CNC(=O)NCC(=O)N[C@H]1C[C@@H](Nc2cnc(C#N)cn2)C1 1097259103 MQINVADTMXNDHO-DTORHVGOSA-N 303.326 -0.664 30 20 DBED C[C@@H](CNC(=O)[C@@H]1COCCN1C)Nc1nccnc1C#N 1097764112 AXGXNKMEKMFMRX-JQWIXIFHSA-N 304.354 -0.405 30 20 DBED C[C@H](CNC(=O)C1CS(=O)(=O)C1)Nc1ccc(C#N)nc1 1098071332 UBNVKDYLYVEMJW-SECBINFHSA-N 308.363 -0.086 30 20 DBED C[C@@H](CNC(=O)CN1CCOCC1=O)Nc1ccc(C#N)nc1 1098356231 PCXVMXHCGVRIKE-NSHDSACASA-N 317.349 -0.271 30 20 DBED C=CCNCc1cn([C@@H]2CCN(C(=O)CCCC(N)=O)C2)nn1 1098790366 SVIJCLGYSIVYJH-CYBMUJFWSA-N 320.397 -0.017 30 20 DBED C=C(Cl)CN1CC[C@@H](NC(=O)CNC(=O)C2CC2)[C@@H](O)C1 1099704066 FQVWNNMMRLTNEA-NEPJUHHUSA-N 315.801 -0.184 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)Cc2ccco2)[C@H](O)C1 1100042179 VMBXLHOKBYOSSV-UONOGXRCSA-N 319.361 -0.877 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)c2nccs2)[C@H](O)C1 1100043306 FSEGHZVQBQCREP-GHMZBOCLSA-N 322.390 -0.943 30 20 DBED C#CCCN1CC[C@H](NC(=O)CCC(=O)NCCC)[C@H](O)C1 1100079374 YFODOSIDHIPGLA-UONOGXRCSA-N 309.410 -0.133 30 20 DBED CN(CCNC(=O)C(=O)NCC(F)F)c1cncc(C#N)n1 1100223635 FFDBQXUWXYOPRC-UHFFFAOYSA-N 312.280 -0.718 30 20 DBED C#CCOCCC(=O)NCC1CC(NCCN2CCNC2=O)C1 1100325905 BMRDMNOGFIHADC-UHFFFAOYSA-N 322.409 -0.464 30 20 DBED CN(CCNC(=O)c1ccn(C)c(=O)c1)c1cncc(C#N)n1 1100400268 WCYMCIKYZWRRMB-UHFFFAOYSA-N 312.333 -0.087 30 20 DBED CCN(CCNC(=O)[C@]1(C)CCC(=O)N1)c1nccnc1C#N 1100709590 ICKDJUXODHVGHL-HNNXBMFYSA-N 316.365 -0.041 30 20 DBED CC(=O)N(C)CC(=O)NC[C@@H]1CCCN1c1cnc(C#N)cn1 1100789254 CMNSXCSTQKSIIJ-ZDUSSCGKSA-N 316.365 -0.088 30 20 DBED N#Cc1cnc(N2CCC[C@H]2CNC(=O)C2(C(N)=O)CC2)cn1 1100902512 PJBQMOPOPOBFBL-NSHDSACASA-N 314.349 -0.301 30 20 DBED CCC(=O)NCC(=O)NCCN(c1nccnc1C#N)C1CC1 1101306096 YYKAEMIMJJXVHZ-UHFFFAOYSA-N 316.365 -0.041 30 20 DBED CN(C)C(=O)CC(=O)NCCN(c1cncc(C#N)n1)C1CC1 1101457481 ONRWLPVCDSPLBA-UHFFFAOYSA-N 316.365 -0.088 30 20 DBED C[C@@H](CNC(=O)Cn1cnnc1O)CNc1nccnc1C#N 1103957934 AZRBVMAIDQBNJQ-VIFPVBQESA-N 316.325 -0.490 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCN(C)C1=O)CNc1ccc(C#N)nn1 1104158798 CIMVDRDDAJVNBZ-ZYHUDNBSSA-N 316.365 -0.009 30 20 DBED C=CCCC(=O)NC[C@H]1CN(c2ccc3nnnn3n2)CCO1 1104311769 KUTQEHMJSVLXIH-NSHDSACASA-N 317.353 -0.193 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)[C@@H](C)n1cncn1 1104528300 RVPLJBKFWYDTML-GHMZBOCLSA-N 314.353 -0.118 30 20 DBED Cc1cn(C)nc1C(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1 1105819073 TVYJKFHCEJZTEW-SNVBAGLBSA-N 315.337 -0.985 30 20 DBED CCn1cnc(C(=O)NC[C@@H](O)CNc2ccc(C#N)nn2)c1 1105916700 TYVCRCJXASQHIM-NSHDSACASA-N 315.337 -0.233 30 20 DBED Cc1nsc(NC[C@H](O)CNC(=O)c2nc[nH]n2)c1C#N 1105932609 POLKCMFVPLMJIS-SSDOTTSWSA-N 307.339 -0.356 30 20 DBED CCC[C@H](OCC)C(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1 1106064150 OVJYUYCFMNFDDI-RYUDHWBXSA-N 321.381 -0.136 30 20 DBED N#Cc1nccnc1NC[C@@H](O)CNC(=O)c1n[nH]cc1F 1106083815 UTJOHIHKTXQYKU-SSDOTTSWSA-N 305.273 -0.587 30 20 DBED CCN(CCNc1cnc(C#N)cn1)C(=O)CCNC(N)=O 1106764086 HTHOVGFDNNMXSJ-UHFFFAOYSA-N 305.342 -0.333 30 20 DBED C=C(C)CCN1CC(n2cc(CNC(=O)CNC(C)=O)nn2)C1 1107117415 SOPMSXNQJBBNRS-UHFFFAOYSA-N 320.397 -0.147 30 20 DBED N#Cc1nc(=NC/C=C/CNC(=O)C[C@@H]2COC(=O)C2)cc[nH]1 1107123505 AJCLEMKCGMSGMJ-GXFZAYBSSA-N 315.333 -0.192 30 20 DBED C#Cc1ccc(C(=O)NC[C@]2(C)CN(CC(N)=O)CCO2)cn1 1108349674 LWBWYMWZSCXMNV-MRXNPFEDSA-N 316.361 -0.631 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)C[C@H]1CCC(=O)N1 1108448631 VKHHURWGMMFMTM-VHSXEESVSA-N 302.338 -0.645 30 20 DBED Cc1cc(C#N)nc(NC[C@H](C)NC(=O)[C@H]2CNC(=O)N2)n1 1108668739 FVZYQHDDBAQOTL-WCBMZHEXSA-N 303.326 -0.745 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H](C)CN(C)c1nccn2nnnc12 1109102170 MYHYGKCLXXISKF-WDEREUQCSA-N 317.353 -0.502 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C1CN(C(C)=O)C1 1109192748 JHYUBCKWVHRXAY-PMPSAXMXSA-N 319.405 -0.164 30 20 DBED CN(C)C(=O)CC(=O)N[C@H]1[C@H]2C[C@H]1N(c1cncc(C#N)n1)C2 1109743311 ODIDNOUDVZJGEG-ISOBSLSZSA-N 314.349 -0.480 30 20 DBED N#Cc1nc(=NC[C@@H](NC(=O)Cn2cccn2)C2CC2)cc[nH]1 1109759913 NKWIQASAESFPHQ-GFCCVEGCSA-N 311.349 -0.026 30 20 DBED CN1C[C@H](C(=O)NCC2(Nc3ccc(C#N)nn3)CC2)CC1=O 1110380863 KBFWNNHAHNWIOW-SNVBAGLBSA-N 314.349 -0.113 30 20 DBED CC(=O)NCC(=O)NC[C@]1(O)CCN(c2ccncc2C#N)C1 1111037592 GOVPVLWHTYBIKR-OAHLLOKOSA-N 317.349 -0.853 30 20 DBED N#Cc1nccnc1N1CC[C@](O)(CNC(=O)C#CC2CC2)C1 1111071096 RDKLTCUKNREJOI-INIZCTEOSA-N 311.345 -0.181 30 20 DBED CC(C)[C@@H](O)C(=O)NC[C@@]1(O)CCN(c2cncc(C#N)n2)C1 1111075517 CFMYBUDRDLMLAR-HIFRSBDPSA-N 319.365 -0.577 30 20 DBED N#Cc1c[nH]ccc1=NCCN(CCO)C(=O)Cc1cc[nH]n1 1111442859 MBJLFDKAKQIAGY-UHFFFAOYSA-N 314.349 -0.426 30 20 DBED Cn1nncc1C(=O)N(CCO)CCNc1ccc(C#N)nn1 1111459681 DYYIEVCFMWFFSC-UHFFFAOYSA-N 316.325 -0.977 30 20 DBED C[C@@]1(C(=O)N(CCO)CCN=c2cc[nH]c(C#N)n2)CCOC1 1111497768 PTZFZLRLMATHFB-OAHLLOKOSA-N 319.365 -0.570 30 20 DBED Cc1noc(C)c1C(=O)N1CCN(CC(=O)NCC#N)CC1 1112605402 AVRFNCYKFWIBCI-UHFFFAOYSA-N 305.338 -0.311 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)c2ncoc2C)CC1 1112658551 JTFSEJHQGLPAAH-LLVKDONJSA-N 304.350 -0.121 30 20 DBED Cc1cc(=N[C@H](C)[C@H](C)NC(=O)CNC(N)=O)c(C#N)c[nH]1 1112893913 CQMPFALHFLLRDZ-ZJUUUORDSA-N 304.354 -0.343 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)[C@H](C)Nc1nccnc1C#N 1112977742 FLUAUEMQGXXQTF-QWRGUYRKSA-N 314.349 -0.207 30 20 DBED C[C@H](CNC(=O)[C@]1(C)CCNC1=O)N(C)c1cncc(C#N)n1 1113872098 ICNDVIMHRBMSII-MEBBXXQBSA-N 316.365 -0.185 30 20 DBED C[C@@H]1CCN(c2ccc(C#N)nc2)C[C@@H]1NC(=O)CNC(N)=O 1113998477 YLVGYMDWJBIXGX-MFKMUULPSA-N 316.365 -0.047 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)c3cn(C)cn3)[C@H]2C1 1114139993 XWIHDUXZOSXBJI-SRVKXCTJSA-N 317.393 -0.229 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@H](OC)C3CC3)[C@H]2C1 1114208768 FHNXFXYYCUYUMV-PAPYEOQZSA-N 307.394 -0.240 30 20 DBED CCc1[nH]ccc1C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1114215108 QAVJXAAGLRBDDF-JYAVWHMHSA-N 315.377 -0.123 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)C3(COCC)CC3)[C@@H]2C1 1114491393 URUAHBGSYCNQAF-CHWSQXEVSA-N 319.405 -0.401 30 20 DBED C=CCCCN1C[C@H]2[C@H](NC(=O)CCn3ncn(C)c3=O)[C@H]2C1 1114619336 UQTZGGDQHZXPBC-NHAGDIPZSA-N 319.409 -0.016 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)C[C@H]3CCCOC3)[C@H]2C1 1115247257 BHHZLBHUGMRXSN-WVZRYYJFSA-N 319.405 -0.401 30 20 DBED COCC[C@H](C)C(=O)NC1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]12 1115266664 XQVUCLKKRZBPQA-QJPTWQEYSA-N 308.382 -0.655 30 20 DBED C=CCO[C@H](C)C(=O)N[C@H]1[C@@H]2CN(Cc3cnnn3C)C[C@@H]21 1115332605 PGIZJIXPTMXFAL-ZZVYKPCYSA-N 305.382 -0.047 30 20 DBED CN1CCC(C#N)(NC(=O)CCCN2C(=O)CNC2=O)CC1 1116020742 UYLIXEFGVTVQSD-UHFFFAOYSA-N 307.354 -0.577 30 20 DBED C[C@H](C(=O)NC1(C#N)CCC1)N1CCC(OCC(N)=O)CC1 1116723865 MWIHVNASDUFQMV-LLVKDONJSA-N 308.382 -0.096 30 20 DBED C#CCOCCNC(=O)c1nnn(Cc2noc(C)n2)c1C 1116840471 XYNMGQIIJCHVTL-UHFFFAOYSA-N 304.310 -0.294 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(C)on2)CC1 1119053376 GIMROBHDOPOMPB-UHFFFAOYSA-N 312.351 -0.792 30 20 DBED N#Cc1c[nH]ccc1=N[C@H](CO)CNC(=O)C1CCOCC1 1120987367 XBAFMTZVMFLRCT-ZDUSSCGKSA-N 304.350 -0.309 30 20 DBED N#Cc1nccnc1N[C@@H](CO)CNC(=O)C1=COCCC1 1121198645 RADOWLZPUQBOSJ-LLVKDONJSA-N 303.322 -0.068 30 20 DBED CN1CCO[C@@H](C(=O)NC[C@@H](CO)Nc2ncccc2C#N)C1 1121250009 LLHMPMOROUNMFP-QWHCGFSZSA-N 319.365 -0.827 30 20 DBED Cc1nnc(CC(=O)NC[C@@H](CO)Nc2ccc(C#N)cn2)o1 1121432133 IVILJABZKVMEED-NSHDSACASA-N 316.321 -0.224 30 20 DBED CC(C)C#CC(=O)NC[C@@H](CO)N=c1ccc2ncc[nH]c-2n1 1121520540 PGEREBIUNCUCEE-LBPRGKRZSA-N 313.361 -0.053 30 20 DBED C=CCO[C@@H](C)C(=O)NC[C@@H](CO)Nc1cnc(C#N)cn1 1121749024 KKOBJNJMNGWEHP-JQWIXIFHSA-N 305.338 -0.172 30 20 DBED Cc1n[nH]c(C)c1C(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1 1121920426 KFBCWJZZFAPBPQ-SNVBAGLBSA-N 315.337 -0.687 30 20 DBED C[C@@H]1C[C@H](Nc2cncc(C#N)n2)CN1C(=O)CCNC(N)=O 1123230850 JTWOYZQPXXJDMA-ZJUUUORDSA-N 317.353 -0.192 30 20 DBED CN(C[C@H](O)CN(C)c1ccnc(C#N)n1)C(=O)[C@@H]1CCOC1 1124995547 STAVGLAMGKXEHX-VXGBXAGGSA-N 319.365 -0.360 30 20 DBED COCCN(CCNC(=O)[C@H](O)C(C)C)c1nccnc1C#N 1126315730 XVYLLQZYTGRDFL-CYBMUJFWSA-N 321.381 -0.066 30 20 DBED C#CCN1CC[C@H](c2n[nH]cc2CNC(=O)CNC(=O)OC)C1 1130348679 SOMWWIWZEZPDMW-NSHDSACASA-N 319.365 -0.196 30 20 DBED C#CCN1CC[C@H](c2n[nH]cc2CNC(=O)[C@H](C)NC(N)=O)C1 1130380884 KRZHSMWRXLVAJP-QWRGUYRKSA-N 318.381 -0.495 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@@H](NCCO)[C@H](c2cncn2C)C1 1130988697 JYZGZNKCJBJBQD-MGPQQGTHSA-N 320.393 -0.665 30 20 DBED C#CCN1CC[C@]2(C1)CN(C(=O)COCCOC)C[C@@H](C)O2 1131641441 FIAQWKGWXVTYFY-ZBFHGGJFSA-N 310.394 -0.026 30 20 DBED CNS(=O)(=O)CCC(=O)N[C@@H]1CC[C@H](C)N(CC#N)C1 1132039261 XQBNTJGMICXCJM-WDEREUQCSA-N 302.400 -0.582 30 20 DBED C#CCN1C[C@H](NC(=O)CNS(=O)(=O)CC)CC[C@H]1C 1132085906 AQHDLHJCDASKJD-VXGBXAGGSA-N 301.412 -0.472 30 20 DBED C[C@H]1CCN(C(=O)CN2CC(=O)N(C)C2=O)C[C@H]1CNCC#N 1133249177 ANDPRRFWLDQEQT-NWDGAFQWSA-N 321.381 -0.522 30 20 DBED C#CCNC[C@H]1CN(C(=O)CS(=O)(=O)N(C)C)CC[C@H]1C 1133274061 ARFXEIWVZVLDJS-OLZOCXBDSA-N 315.439 -0.415 30 20 DBED CC#CCN[C@@H](C)C[C@@H](C)NC(=O)CS(=O)(=O)CCOC 1134765087 VGCMBCXWJZKBQH-QWHCGFSZSA-N 318.439 -0.056 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)Cc1cc[nH]n1)C2 1147274389 LSOWKQOBXRYGFI-UHFFFAOYSA-N 315.377 -0.764 30 20 DBED CC#CCN1CCC2(C1)CN(C(=O)CCNS(C)(=O)=O)C2 1147665870 VFLXQCVRZMVSHE-UHFFFAOYSA-N 313.423 -0.517 30 20 DBED CC#CCN1CCCO[C@@H](CNC(=O)CNC(=O)C2CC2)C1 1149255797 FYQMJJXPKBWFSR-AWEZNQCLSA-N 307.394 -0.257 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)CCS(C)(=O)=O)C1 1149902850 JXGVTHZIYOQQBO-GFCCVEGCSA-N 302.396 -0.739 30 20 DBED CN1CCC(OCC(=O)NC[C@H]2CN(CC#N)CCCO2)CC1 1150507500 HEWZWHHQEZPHEG-HNNXBMFYSA-N 324.425 -0.172 30 20 DBED C=C(C)CN1CCCO[C@H](CNC(=O)CN2C(=O)CCC2=O)C1 1150685774 REZOAEPZNQOJFT-CYBMUJFWSA-N 323.393 -0.081 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@H](c1cccnc1)N(C)C 1152603674 OQVMIPPRPSUXSC-HNNXBMFYSA-N 317.393 -0.861 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)c1cn(C)ccc1=O 1162280936 IMQXTHKRJGZFJI-LBPRGKRZSA-N 320.393 -0.215 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@@H]1CCCc2nn[nH]c21 1165277159 HIICYNXVBCWSTR-LLVKDONJSA-N 320.397 -0.377 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)[C@H](CC)NC(C)=O 1167185348 KHOHDABFIAULEP-AAEUAGOBSA-N 312.414 -0.312 30 20 DBED C=CCNC(=O)[C@@H](C)NCC1(CCNC(=O)c2nc[nH]n2)CC1 1167483946 LEMHBRMOPSLBRL-LLVKDONJSA-N 320.397 -0.015 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)c2[nH]c(O)nc2C)[C@H]1C 1178948607 LDUGPFCXGQURLS-QWRGUYRKSA-N 321.381 -0.081 30 20 DBED COCC#CCN[C@H]1CCN(C(=O)[C@H]2CCC(=O)NC2)[C@H]1C 1179037367 UWYWRYKQLQTYRO-IHRRRGAJSA-N 307.394 -0.259 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](C)[C@](C)(CNC[C@H](C)O)C1 1181192899 GGQOTTQAGZIJBM-DVOMOZLQSA-N 309.410 -0.419 30 20 DBED C=CCN1CC[C@H](N[C@@H]2CCN(C(=O)CC(=O)NCC)C2)C1=O 1182145399 OHSKHAHPFOZFJX-OLZOCXBDSA-N 322.409 -0.510 30 20 DBED C[C@@H]1CN(C(=O)c2cn(C)c(=O)nc2O)C[C@@]1(C)CNCC#N 1183383132 PQQCVGPAXPTUNN-MEBBXXQBSA-N 319.365 -0.303 30 20 DBED N#CCNCc1cn([C@@H]2CCCN(C(=O)c3cnon3)C2)nn1 1186011208 ICWFUIJMBFFGKL-LLVKDONJSA-N 316.325 -0.248 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2cc(C)nc(C)n2)C1 1186303704 GCRHHNQKSGUWEK-CYBMUJFWSA-N 315.377 -0.353 30 20 DBED N#CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3ccc[nH]3)[C@@H]2C1 1186825820 GCNWOZIVFHJYJO-WCQYABFASA-N 301.350 -0.199 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2n[nH]c(C)c2O)C1 1189663516 FSSBHYDLWGAMNL-NSHDSACASA-N 319.365 -0.681 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](N(C)Cc2cnsn2)C1 1189761009 SVKUVZAVRRZPKZ-GFCCVEGCSA-N 321.406 -0.290 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@@H]1CCN(C(=O)CC(C)(C)O)C1 1189893150 JMKBRNWKAGUAEH-CHWSQXEVSA-N 309.410 -0.182 30 20 DBED CC#CCN(C)[C@H]1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)C1 1190482669 GNTJGOHLYCEPKL-ZDUSSCGKSA-N 318.377 -0.897 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)c2ccncc2)C1 1190659387 SAIKESSIFJOSGY-MRVWCRGKSA-N 318.377 -0.453 30 20 DBED Cc1csc(C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@H]2O)c1 1192676210 NNYSTSAWNZWHJM-GHMZBOCLSA-N 322.390 -0.529 30 20 DBED C=CCCCN(C)[C@H]1CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)C1 1192696858 YFLJUIAILGPYFL-KBPBESRZSA-N 324.425 -0.135 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)c2cnc3n2CCC3)C1 1193857985 NIFHKEUOWNPNIA-TZMCWYRMSA-N 320.393 -0.193 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)CC(=O)N(C)C)CC1 1197370516 ZCYOLWAXOOOPID-UHFFFAOYSA-N 310.398 -0.699 30 20 DBED C[C@H](C(=O)N1CCCO[C@H](CNCC#N)C1)S(C)(=O)=O 1200816283 ZUZNKWJAISVJPD-GHMZBOCLSA-N 303.384 -0.850 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCCN(C(=O)c2cncnc2)C1 1207875872 ZFKIRHKRJBLAQG-GXTWGEPZSA-N 315.377 -0.191 30 20 DBED N#CCNC(=O)CN[C@H]1CCCN(C(=O)c2cnnc(O)c2)C1 1208381588 UBOXRQXGISFLFV-NSHDSACASA-N 318.337 -0.984 30 20 DBED COCC#CCN1C[C@@H](NC(=O)c2cn(C)nc2C)[C@H](OC)C1 1212037951 JSDQIKFWKJJTLM-HUUCEWRRSA-N 320.393 -0.193 30 20 DBED C=CCOCCN1C[C@@H](NC(=O)[C@@H](COC)OC)[C@H](OC)C1 1213414024 IEGLJMZPTVSCQF-MGPQQGTHSA-N 316.398 -0.334 30 20 DBED C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1NCc1nnnn1C 1214167194 KHVGOUCEWYWJJU-NXEZZACHSA-N 309.399 -0.597 30 20 DBED CC#CCN[C@@H]1CN(C(=O)COCc2nncn2C)C[C@H]1C 1216157286 MCNGGEORQIYWKW-CHWSQXEVSA-N 305.382 -0.209 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CN(CC(=O)N2CCCC2)C[C@@H]1O 1219590066 VBHMIRZVZDVYPM-KGLIPLIRSA-N 305.378 -0.817 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCC2(C)C)C1 1220178616 PWEWHHMRWCADAW-XQQFMLRXSA-N 309.410 -0.114 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)CNC(=O)c2ccsc2)C1 1221005580 PPSOWSXOXRLGQD-OLZOCXBDSA-N 321.402 -0.338 30 20 DBED C#CCN1CCC(CNC(=O)Cn2nc(C)n(C)c2=O)CC1 1225318550 ZQXXRWRMDSYBGV-UHFFFAOYSA-N 305.382 -0.648 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC(NC(=O)C(C)(C)C(N)=O)CC1 1227890914 SYPVUHMFCHAATF-LLVKDONJSA-N 322.409 -0.784 30 20 DBED CC#CCN1CCS(=O)(=O)[C@@H](CCNC(=O)c2cc[nH]n2)C1 1230421855 BSBOAGXOMVEUEI-LBPRGKRZSA-N 324.406 -0.348 30 20 DBED CN(C[C@@H]1CCN1CC(=O)NCC#N)C(=O)[C@H]1CCCN1C 1231253964 DASOGWCKWLTQHF-QWHCGFSZSA-N 307.398 -0.747 30 20 DBED C[C@@H](C(=O)NC(N)=O)N1CC[C@@H]1CN(C)C(=O)C#CC1CC1 1234195053 HXQPAUCSFSXMLD-CMPLNLGQSA-N 306.366 -0.484 30 20 DBED COC(=O)CN(CC#N)C(=O)CCCCCS(N)(=O)=O 1261511251 ZPWYLWOKVBUZSU-UHFFFAOYSA-N 305.356 -0.640 30 20 DBED C#CC[C@@H](NC(=O)[C@@H]1COCCN1CC(F)(F)F)C(=O)O 1262178139 RGWMFKRSXHCVOT-BDAKNGLRSA-N 308.256 -0.158 30 20 DBED C=CCn1c([C@H]2CC(=O)N(CC)C2)nnc1N1CCNC(=O)C1 1262962889 YYFRWCVQWRHLLO-NSHDSACASA-N 318.381 -0.264 30 20 DBED N#CCNC(=O)CN[C@H]1CCN(C(=O)[C@@]23CCCN(CC2)C3)C1 1265456342 PQNDISIIHZHKPD-BBRMVZONSA-N 319.409 -0.697 30 20 DBED C[C@H]1C(=O)N(C)CCN1C(=O)C(=O)NCc1cccc(C#N)c1 1321553141 XKYPKQYSZOUIAC-NSHDSACASA-N 314.345 -0.136 30 20 DBED N#CCN1CCC(NC(=O)C(=O)NCCc2ccncc2)CC1 1323232114 KYAYDQUPDFVEOA-UHFFFAOYSA-N 315.377 -0.156 30 20 DBED C=CC[C@H](CC)NC(=O)C(=O)N1CCN(CCOC)C(=O)C1 1324711511 WFELICCRDBXWTJ-LBPRGKRZSA-N 311.382 -0.226 30 20 DBED Cc1ccn(C)c(=O)c1NC(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1326832851 PCNBSSYWSKGIFE-HNNXBMFYSA-N 318.333 -0.491 30 20 DBED CN(C)CCOCCNC(=O)C(=O)N1CCC[C@@H](CC#N)C1 1328994365 ICOFGVVSFYLDIO-ZDUSSCGKSA-N 310.398 -0.167 30 20 DBED C=CCOCCNC(=O)C(=O)N1CCC[C@@H](OCCO)C1 1329386801 QGNIPJSSCVCNSR-GFCCVEGCSA-N 300.355 -0.695 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N2C[C@H]3C[C@]3(CO)C2)CCN1C1CC1 1329482310 DOEBFEVGQFUSTH-AXAPSJFSSA-N 318.377 -0.974 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CCC[C@@H](O)C2)C1=O 1329695776 JXHFXWAQEYSXTL-NEPJUHHUSA-N 309.366 -0.785 30 20 DBED Cc1cc(NC(=O)C(=O)N2CCCNC(=O)C2)n(CCC#N)n1 1329819757 YSVXJDJGVAFJNL-UHFFFAOYSA-N 318.337 -0.608 30 20 DBED C#CC[C@@H](CO)NC(=O)c1cc(OC)c(S(N)(=O)=O)s1 1334420897 KXQNMSQKTDNDCG-ZETCQYMHSA-N 318.376 -0.482 30 20 DBED C=CCn1c(N2CCCNC(=O)C2)nnc1[C@@]1(O)CCOC1 1339245559 FANQZGIMPPQSEI-CQSZACIVSA-N 307.354 -0.602 30 20 DBED CNC(=O)[C@@H]1CCC[C@H]1NC(=O)C(=O)N1CC[C@](F)(C#N)C1 1343053710 REDMFVVCNAAOJM-RULNRJAQSA-N 310.329 -0.519 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCN(C(=O)OC)CC1)[C@H]1CCCO1 1347038716 JERMKGSFVIEWCE-NWDGAFQWSA-N 323.349 -0.806 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N1CCCN(C=O)CC1 1349449601 CVOIJYNMEBSIMH-UHFFFAOYSA-N 303.384 -0.539 30 20 DBED N#Cc1ccc(C(=O)N2CCN(S(N)(=O)=O)CC2)c(F)c1 1363537065 PTZOEUPLGKICDK-UHFFFAOYSA-N 312.326 -0.341 30 20 DBED CC(C)(C)n1cnc(NC(=O)Cn2cc(C#N)c(O)nc2=O)n1 1363707613 JEHAFRURPOWNRV-UHFFFAOYSA-N 317.309 -0.194 30 20 DBED COCCN(CCNC(=O)c1ccnnc1)C(=O)[C@H](C)C#N 1384411285 PPENVAQEPRKRQP-LLVKDONJSA-N 305.338 -0.159 30 20 DBED C[C@H](C#N)C(=O)NC1CN(C(=O)c2ccc(C(N)=O)s2)C1 1387801350 QDARZGLSSOXCQY-SSDOTTSWSA-N 306.347 -0.053 30 20 DBED CCN(CCNC(=O)[C@H](C)C#N)C(=O)c1cc(C(N)=O)ccn1 1388415167 KTBMUPUCIKCJBF-SNVBAGLBSA-N 317.349 -0.082 30 20 DBED CNC(=O)NCCC(=O)N[C@@H](C)CNC(=O)c1ccc(C#N)[nH]1 1408131570 JEJCERQAVUAGRX-VIFPVBQESA-N 320.353 -0.560 30 20 DBED C[C@@H](CNC(=O)c1cnn(C)n1)CNC(=O)c1cc(C#N)c[nH]1 1409675898 FEULZQPDNQOAOF-SECBINFHSA-N 315.337 -0.189 30 20 DBED CO[C@@H](C1CC1)[C@H](C)NC(=O)Cn1cc(C#N)c(O)nc1=O 1412120917 AGLMCEHLBBYODB-QPUJVOFHSA-N 306.322 -0.250 30 20 DBED CC[C@H](CNS(C)(=O)=O)NC(=O)Cc1noc(C)c1C#N 1412146019 IPCHHCMYEXBTLO-SECBINFHSA-N 314.367 -0.159 30 20 DBED N#C[C@@H]1CCCN(C(=O)c2nc(N)nc(N3CCOCC3)n2)C1 1412577623 SRLLCTBIDRLVGA-JTQLQIEISA-N 317.353 -0.334 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CCN(C(=O)C(C)(C)N2CCOCC2)C1 1414936150 AHADAUGZXPOJPS-OLZOCXBDSA-N 322.409 -0.026 30 20 DBED C[C@H](C#N)C(=O)NCC1(NCC(=O)NC2CCOCC2)CC1 1420923039 UXBYSKFIMZRQCA-LLVKDONJSA-N 308.382 -0.320 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]1CN(C)C(=O)CCn1cncn1 1426730097 CNPTXKLYAWSHLC-NWDGAFQWSA-N 304.354 -0.113 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CCN(C(=O)CCc2nc[nH]n2)C1 1430833577 YSZQSRLJWLMDKU-QWRGUYRKSA-N 304.354 -0.138 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C)C(=O)c1ccc(C(N)=O)cn1 1431477324 BKKUXBQJNAMIHO-VIFPVBQESA-N 303.322 -0.472 30 20 DBED N#Cc1ccccc1OCC(=O)NC[C@@H](O)Cn1ccnn1 1434057031 ZVTDQFDIBKBFAA-GFCCVEGCSA-N 301.306 -0.294 30 20 DBED C[C@H](C#N)C(=O)NC1CN(CC(=O)NC(=O)NC(C)(C)C)C1 1443464576 RWSAXAFURJTCPE-SECBINFHSA-N 309.370 -0.429 30 20 DBED COc1cccnc1CNC(=O)Cn1cc(C#N)c(O)nc1=O 1451521087 CPIIUUIZBOUDRI-UHFFFAOYSA-N 315.289 -0.459 30 20 DBED COCCC(=O)N(C)C[C@@H](O)CNC(=O)c1cc(C#N)c[nH]1 1451785572 VXQFBSYVFNQVQU-NSHDSACASA-N 308.338 -0.528 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)CCc1ccc(O)nc1 1458028110 WPUSMWLNWYBLPC-CMPLNLGQSA-N 320.349 -0.527 30 20 DBED N#Cc1cccc(CNC(=O)NC[C@@]2(O)CCS(=O)(=O)C2)c1 1467596935 IOEOMABXDCFRCZ-AWEZNQCLSA-N 323.374 -0.093 30 20 DBED C[C@@H](O)CN1CCN(CCN(C)C(=O)c2cc(C#N)c[nH]2)CC1 1481468326 YRGFYGFQHBXAQE-CYBMUJFWSA-N 319.409 -0.043 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNCc1ccnc(N(C)C)c1 1482715454 GVVFSUIXDSVSQA-AAEUAGOBSA-N 305.382 -0.126 30 20 DBED C[C@H](C#N)C(=O)NCCN1CCN(C(=O)Cc2ncc[nH]2)CC1 1493185993 XKQWKTPOPXBTDH-GFCCVEGCSA-N 318.381 -0.628 30 20 DBED C[C@H](C#N)C(=O)N[C@H](CNC(=O)CNC(=O)C1CC1)C1CC1 1493487707 MYUVSJBCYNFCPS-BXKDBHETSA-N 306.366 -0.317 30 20 DBED C[C@H](CC(N)=O)C(=O)N1CC[C@H]1CNC(=O)c1cc(C#N)c[nH]1 1505665792 MJILUJMCHHJGIX-KOLCDFICSA-N 317.349 -0.271 30 20 DBED COCC#CCN[C@@H](C)CCNC(=O)CC[C@@H]1NC(=O)NC1=O 1567238314 SIAHMHCMXFPHKC-RYUDHWBXSA-N 324.381 -0.891 30 20 DBED C#CCC[C@H](O)CNC(=O)Cc1noc(C)c1-c1nn[nH]n1 1588336408 AAMQTUDPXSOUNQ-VIFPVBQESA-N 304.310 -0.404 30 20 DBED C=C[C@H](C(=O)O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1588663447 NIGAXQJIOSWVLM-NWDGAFQWSA-N 318.395 -0.248 30 20 DBED C=CCN1CC[C@@H](N(C)CCc2cn(CC(=O)O)nn2)C1=O 1588839117 OPZCLVWROXEUPU-GFCCVEGCSA-N 307.354 -0.376 30 20 DBED C#CCN(CC(=O)O)C(=O)C(=O)Nc1ccc(CC(N)=O)cc1 1602678669 DAONISJLWDPXIV-UHFFFAOYSA-N 317.301 -0.801 30 20 DBED C#CC1(O)CN(C(=O)NCc2ccc(-c3nn[nH]n3)cc2F)C1 1602690816 ISAFYNOASYXFAF-UHFFFAOYSA-N 316.296 -0.105 30 20 DBED N#CCC1(CNC(=O)C(=O)N2CCO[C@@H](CC(=O)O)C2)CC1 1608177844 FVLLVZCUECICHY-JTQLQIEISA-N 309.322 -0.501 30 20 DBED CNS(=O)(=O)C1CCN(CCC(=O)N(C)CCC#N)CC1 1645801832 VNXAMDPAVQDMSP-UHFFFAOYSA-N 316.427 -0.238 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H](C)CCNC(=O)c1nnn(C)c1C 1674176917 BSSFZFQWOSWUOV-WDEREUQCSA-N 320.397 -0.641 30 20 DBED CCCc1cc(C(=O)N[C@H]2CCN(CC(=O)NCC#N)C2)n[nH]1 1731373494 QKMPUHRTNZMACZ-LBPRGKRZSA-N 318.381 -0.194 30 20 DBED C[C@@H]1COCC[C@H]1C(=O)NCCCN(C)CC(=O)NCC#N 1752058930 TUEDJYCZLLOZTM-CHWSQXEVSA-N 310.398 -0.263 30 20 DBED CCN(CCCNC(=O)c1cn(C)cn1)CC(=O)NCC#N 1752172988 QVGXSLJYVYFXIM-UHFFFAOYSA-N 306.370 -0.498 30 20 DBED C#CCO[C@H](C)C(=O)NCCCN1CCN(C[C@@H](C)O)CC1 1752344114 WLEUISIXSZRVHV-HUUCEWRRSA-N 311.426 -0.471 30 20 DBED C=C(Br)CN1CCN(CCNC(=O)C(N)=O)CC1 1752372268 CHMWQVRCWAOPOR-UHFFFAOYSA-N 319.203 -0.886 30 20 DBED C=C(C)CCN1CCN(CCNC(=O)[C@H]2C[C@H]2C(N)=O)CC1 1752373575 VHTUVEAHQPUEKS-KGLIPLIRSA-N 308.426 -0.192 30 20 DBED CO[C@H](C)C(=O)NC1C[C@@H]2CC[C@H](C1)N2CC(=O)NCC#N 1752690367 JEDRHVFRERCANW-ODWCKFRGSA-N 308.382 -0.227 30 20 DBED C#CCNC(=O)CN(C)CCNC(=O)[C@@H](NC(C)=O)C(C)(C)C 1753075349 UMMJAJXXYVHZQB-CQSZACIVSA-N 324.425 -0.665 30 20 DBED C[C@@](O)(CC(=O)NC[C@@H]1CCCN1CC(=O)NCC#N)C1CC1 1753101887 ZNEHGPKMPASFEE-XJKSGUPXSA-N 322.409 -0.242 30 20 DBED C=CCN1CC[C@H](NCCN(C)C(=O)CCc2cnn[nH]2)C1=O 1753239662 DNJOHLBNWUENLI-ZDUSSCGKSA-N 320.397 -0.428 30 20 DBED CC#CCNCC[C@H]1CCCN(C(=O)Cn2ncn(C)c2=O)C1 1753550525 SKUWRBATXOSZRT-CQSZACIVSA-N 319.409 -0.177 30 20 DBED C[C@@H]1CN(C(=O)CC2(O)CCC2)CC[C@H]1NCC(=O)NCC#N 1753754872 ZUJOPYABAYKNCV-CHWSQXEVSA-N 322.409 -0.242 30 20 DBED CCOCC(=O)N1CCC[C@@H](C)[C@H]1CNCC(=O)NCC#N 1753804706 VMBCPKBQEJAVNZ-CHWSQXEVSA-N 310.398 -0.121 30 20 DBED C#CCNC(=O)CNC[C@@H](O)CNC(=O)C1(C)CCCCC1 1753925981 QXULTOQCKIDJIH-CYBMUJFWSA-N 309.410 -0.227 30 20 DBED COCC#CCNC/C=C/CNC(=O)CN1CCCCC1=O 1754143147 GOHRZAOVHIOKAE-ONEGZZNKSA-N 307.394 -0.089 30 20 DBED C=CCNC(=O)CN(C)C[C@@H](C)NC(=O)C1(C(=O)NC)CCC1 1754330646 KBRCAFTVKHDJQS-GFCCVEGCSA-N 324.425 -0.359 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CNC(=O)Cn1cncc1C 1754488776 KBTKLFJPAWSZMD-ZDUSSCGKSA-N 303.366 -0.869 30 20 DBED C#CCN(CCOC)C1CCN(C(=O)Cc2nc[nH]n2)CC1 1754551133 RYFAOCYTNGIIKF-UHFFFAOYSA-N 305.382 -0.080 30 20 DBED C#CCNC(=O)[C@H](C)N1CC(N(C)C(=O)c2ccn(C)n2)C1 1754585991 BFQWQHNIVGKROZ-NSHDSACASA-N 303.366 -0.686 30 20 DBED C#CCNC(=O)CNC[C@@H]1CCCN1C(=O)[C@H](CC)N(C)C 1754617253 BNJUNAQVCPOVLZ-KBPBESRZSA-N 308.426 -0.343 30 20 DBED COCC#CCN1[C@H]2CC[C@H]1CN(C(=O)Cn1cnnn1)CC2 1754656782 BVYNTYMRZVZAAJ-KBPBESRZSA-N 318.381 -0.612 30 20 DBED C#CCOCCC(=O)NC[C@]1(O)CCN(Cc2ccnn2C)C1 1754751732 SKANYANGXPWEOG-MRXNPFEDSA-N 320.393 -0.487 30 20 DBED N#Cc1ccc(F)cc1CN1CC(O)(CNC(=O)CC(N)=O)C1 1754764944 SOENUTCKCQSOGT-UHFFFAOYSA-N 320.324 -0.764 30 20 DBED N#CCN1CC(O)(CNC(=O)[C@H]2Cc3cc(F)ccc3O2)C1 1754775366 OXKVMRNYOCZZMV-CYBMUJFWSA-N 305.309 -0.184 30 20 DBED C=CCOCC(=O)N[C@@]1(CO)CCCN(Cc2cnon2)C1 1754853232 WRKRPWAYDJDMFA-AWEZNQCLSA-N 310.354 -0.285 30 20 DBED CCCN1CCC[C@H]1C(=O)NC[C@@H](C)N(C)CC(=O)NCC#N 1755301390 KXCIEQXXBHZCPW-KGLIPLIRSA-N 323.441 -0.063 30 20 DBED Cc1nc(C)c(C(=O)NC[C@H](C)N(C)CC(=O)NCC#N)[nH]1 1755316376 JWFKURYBIIBTLB-VIFPVBQESA-N 306.370 -0.284 30 20 DBED C#CCNC(=O)CN1CC(CCO)(NC(=O)C2(CC)CCC2)C1 1755334477 ASECPKQMHLKRNR-UHFFFAOYSA-N 321.421 -0.131 30 20 DBED C#CCCN[C@H](CO)CNC(=O)Cn1ncc2cc(C)cnc21 1755633243 QFUUYEMECHJBIE-AWEZNQCLSA-N 315.377 -0.170 30 20 DBED C#CCN[C@@H](CO)CNC(=O)c1ccccc1N(C)C(C)=O 1755635845 URLRLHADVVCCGT-CYBMUJFWSA-N 303.362 -0.017 30 20 DBED C=C(C)CN[C@H](CO)CNC(=O)Cc1ccc(C(N)=O)cc1 1755646673 BLVFVDLLFLFGQS-AWEZNQCLSA-N 305.378 -0.029 30 20 DBED CN(C[C@H](O)CNCC#N)C(=O)CCc1ccc(C(N)=O)cc1 1755783168 MCDBZVIJHVIZFK-CQSZACIVSA-N 318.377 -0.349 30 20 DBED CN(CCOCCNC(=O)c1cnn[nH]1)C(=O)C#CC1CC1 1756377333 SEDRHEVCDOKHSZ-UHFFFAOYSA-N 305.338 -0.577 30 20 DBED CC(C)C#CC(=O)N[C@H]1C[C@H](C)N(C(=O)Cn2ncnn2)C1 1756595915 UCOJIHMXYMHGBJ-RYUDHWBXSA-N 304.354 -0.562 30 20 DBED C=CCO[C@H](C)C(=O)N1C[C@@H](NC(=O)c2cc[nH]n2)[C@H](OC)C1 1757116171 HMUGRHVRYQKYEQ-RAIGVLPGSA-N 322.365 -0.044 30 20 DBED C=CCCC(=O)N[C@@H]1CCN(C(=O)C(=O)NCC2CC2)C[C@@H]1O 1757563278 UGTCSCXRMNOABG-OLZOCXBDSA-N 323.393 -0.443 30 20 DBED Cn1ncc(C=NNc2ccc(C(=O)O)nc2)c1S(N)(=O)=O 1776072392 VSGDDOGJTVGQCN-UHFFFAOYSA-N 324.322 -0.393 30 20 DBED C#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ncon1)CCO2 1785423925 IUOFKHBGAQNWIQ-OAHLLOKOSA-N 318.333 -0.074 30 20 DBED COCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)S 1800984368 SGVGXLCDMKXXMR-GUDRVLHUSA-N 302.396 -0.459 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/c1cnc[nH]1 1801240615 JHDUYWBLHRQORC-UEWSEVFDSA-N 314.345 -0.354 30 20 DBED C#CCNC(=O)[C@@H](C)Sc1nnc(N2CCOCC2)n1C 30976118 IFYOCVWQWQPNLZ-SNVBAGLBSA-N 309.395 -0.118 30 20 DBED CC[C@@H](C#N)NC(=O)c1cnc2c(c1C)c(=O)n(C)c(=O)n2C 164265427 VLHNSUYURCWYCA-VIFPVBQESA-N 315.333 -0.027 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCC2(O)CCCC2)C1=O 265074103 VCMZXUXHMLEWDW-UHFFFAOYSA-N 309.322 -0.616 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCSC[C@H]2C)C1=O 265666247 ZRNUNSIPNAWRKE-SECBINFHSA-N 311.363 -0.073 30 20 DBED CCN1CCN(CC(=O)N(CC#N)C2CCCC2)C(=O)C1=O 265674892 JBASYMVPJDOJBY-UHFFFAOYSA-N 306.366 -0.028 30 20 DBED C=CCNC(=O)CNC(=O)CCCN1C(=O)NC(C)(C)C1=O 271957866 DYHBSGUQJJCODD-UHFFFAOYSA-N 310.354 -0.485 30 20 DBED N#Cc1ccc(Cl)c(NC(=O)C(=O)N(CCO)CCO)c1 275346788 YYPNTLNFQYDDGS-UHFFFAOYSA-N 311.725 -0.037 30 20 DBED Cc1cc(C#N)ccc1S(=O)(=O)NC[C@H]1CC(C(N)=O)=NO1 276287426 IQNBIYZDCQIOGE-SNVBAGLBSA-N 322.346 -0.225 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@@H](C)CCN(C)C)C1=O 286459926 JSRMEJYJALLWQV-QWHCGFSZSA-N 324.425 -0.312 30 20 DBED C#CCNc1nc(N2CCOCC2)nc(N2CCOCC2)n1 286743432 FEISXGLIQKFRIV-UHFFFAOYSA-N 304.354 -0.410 30 20 DBED COC(=O)C[C@@H]1CCCN1C(=O)NCCn1cnc(C#N)n1 286936401 LNNCVYRHVMPZDI-JTQLQIEISA-N 306.326 -0.113 30 20 DBED O=S1(=O)CCC[C@@H]1C/N=C(/O)[C@H]1CN2CCCN1CC2 329030929 PPJAYTZUBBWQJQ-VXGBXAGGSA-N 301.412 -0.090 30 20 DBED CN(CC(=O)N1CCOCC1)/C(O)=N/[C@@H]1CCc2ncnn2C1 329420771 HJZTXXJIRWIWEZ-LLVKDONJSA-N 322.369 -0.703 30 20 DBED CS(=O)(=O)N1CCN(C/C(O)=N/CC[C@@H]2CCOC2)CC1 329763344 UKDCBWWKBDXNPV-GFCCVEGCSA-N 319.427 -0.053 30 20 DBED CNC(=O)Cn1cc(N=C(O)N2CC(=O)N(C)[C@@H](C)C2)cn1 330412373 VDODIICAOJUIAI-VIFPVBQESA-N 308.342 -0.663 30 20 DBED CC(=O)N1CCN(C(=O)[C@@H](C)Nc2ccn(CCC#N)n2)CC1 331268452 DORIXEHCDQJKMM-GFCCVEGCSA-N 318.381 0.288 30 20 DBED N#C[C@H]1CN(S(=O)(=O)NCCCO[C@@H]2CCOC2)CCO1 336956237 ZEWABZHKODHKFD-NEPJUHHUSA-N 319.383 -0.759 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N(C)[C@@H]1CCN(C)C1=O 337099438 UNGXKANITTUKPE-GHMZBOCLSA-N 302.400 -0.125 30 20 DBED COC[C@@H](O)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N 338419034 CNDURYHMWITQIJ-QMMMGPOBSA-N 315.307 -0.248 30 20 DBED C[C@H]1COCCN(C(=O)C(=O)Nc2ccn(CCC#N)n2)C1 338974751 OPFHCVQOWHKKNI-LLVKDONJSA-N 305.338 0.230 30 20 DBED CS(=O)(=O)N(Cc1nc(=N)[nH]c(=N)[nH]1)c1cccc(C#N)c1 344462893 OZHSBESRTRTDMD-UHFFFAOYSA-N 319.350 -0.465 30 20 DBED C=CC[C@H](CO)NC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccnn1C 346675248 VRCGFLXIGHDYLE-SUNKGSAMSA-N 306.366 -0.007 30 20 DBED C[C@H](C#N)C(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 347110267 QVKVBIXLSKMLMZ-GHMZBOCLSA-N 303.384 -0.249 30 20 DBED C[C@@H]1CS(=O)(=O)C[C@@H]1NS(=O)(=O)c1cncc(C#N)c1 352725290 JMRVDRZWGNFTFI-KCJUWKMLSA-N 315.376 -0.335 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCN(C)[C@H](C)C2)C1=O 357415660 NRVXFLNGUOTEPM-GHMZBOCLSA-N 322.365 -0.438 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CC[C@]3(CCNC3)C2)nn1 424539416 FCJQDDLLMDBEIN-HNNXBMFYSA-N 318.381 -0.708 30 20 DBED C=CCN(CCOC)C(=O)NCCNS(=O)(=O)NC(C)C 429132720 NDBJWWZUADNBQU-UHFFFAOYSA-N 322.431 -0.337 30 20 DBED C#CCNC(=O)CCN(CCCOC)[C@@H]1CCS(=O)(=O)C1 491069249 VDBADUHYHOZILS-CYBMUJFWSA-N 316.423 -0.349 30 20 DBED CCOC(=O)N1CCN(C(=O)CN2CCOC[C@H]2C#N)CC1 495901511 HQYRNZOWLYDUGP-GFCCVEGCSA-N 310.354 -0.489 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)c2nc(N)nc(N(C)C)n2)C1=O 567119363 IIVAOYJPDCXCDR-SECBINFHSA-N 319.369 -0.621 30 20 DBED CS(=O)(=O)N[C@@H]1CCCN(S(=O)(=O)CCCC#N)C1 609541735 LRNKIKHWEPXLGK-SNVBAGLBSA-N 309.413 -0.366 30 20 DBED C[C@H](CC#N)NC(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 610291420 XCVJJCZMUGSNOM-NPNZPCOPSA-N 305.334 -0.043 30 20 DBED C=C(C)CCn1cc(CNS(=O)(=O)N2CCNCC2)nn1 641069426 IBEGKUPUPCAIQB-UHFFFAOYSA-N 314.415 -0.516 30 20 DBED C=CCCOCCNC(=O)C(=O)N[C@@H](C)[C@@H]1CN(C)CCO1 673595921 XGANCCZJMQGSTQ-STQMWFEESA-N 313.398 -0.469 30 20 DBED C#CCOc1ccc(C(=O)OCC(=O)N2CCNC(=O)C2)cc1 745212045 CJONMBWENOKMAH-UHFFFAOYSA-N 316.313 -0.186 30 20 DBED Cc1cc(NN=Cc2c(N)n(C)c(=O)n(C)c2=O)nc(C)n1 749815762 RNYXXOUVDMSJGO-UHFFFAOYSA-N 303.326 -0.481 30 20 DBED C=CCN1CC(=O)N(C[C@H]2CCN(S(C)(=O)=O)C2)C1=O 762251089 DGNBDICSPFHOAL-JTQLQIEISA-N 301.368 -0.282 30 20 DBED CN1CC[C@@](O)(CNC(=O)NCCNc2ccc(C#N)cn2)C1 763005261 RPYHKBNSLVADSP-OAHLLOKOSA-N 318.381 -0.269 30 20 DBED C=CCS(=O)(=O)CCNC(=O)NC[C@@]1(OC)CCOC1 763682018 UPYQHSLNAPFDPU-LBPRGKRZSA-N 306.384 -0.308 30 20 DBED C[C@H]1CN=C(N2CCN(C(=O)Cn3cnc(C#N)n3)CC2)S1 769239342 UXDRFXXIXWBUEO-JTQLQIEISA-N 319.394 -0.215 30 20 DBED C#CCNC(=O)COC(=O)Cc1cccc(OCC(=O)NC)c1 772362225 AUTZFMQXIYRZRL-UHFFFAOYSA-N 318.329 -0.354 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](C(=O)OC)C[C@@H]1C(=O)OC 780137868 RFBMIJBXRQBOAE-VXGBXAGGSA-N 311.334 -0.021 30 20 DBED C#CC[C@H](CO)NC(=O)Cn1c(=O)nc(O)c2ccccc21 816675116 SSHSRNWKNROMSI-SNVBAGLBSA-N 301.302 -0.398 30 20 DBED C[C@]1(c2ccccc2)NC(=O)N(CC(=O)NCC#CCO)C1=O 819692126 GWMLASGREHFHOP-MRXNPFEDSA-N 315.329 -0.435 30 20 DBED C#CCN(C)CCCNC(=O)N1C[C@@H](O)C[C@@H](C(=O)OC)C1 827114556 MGOXMZKFYQYNRB-OLZOCXBDSA-N 311.382 -0.493 30 20 DBED C=CCn1cc(C(=O)OCc2cc(=O)n(C)c(=O)n2C)nn1 830141753 DOKFOVHDXADABX-UHFFFAOYSA-N 305.294 -0.782 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N1CCC([C@@H](O)C(=O)O)CC1 833376545 GOSBYFUXGJRMHN-MWLCHTKSSA-N 313.354 -0.456 30 20 DBED C=C[C@H](O)C(=O)NCCN(CCC(F)(F)F)C(=O)[C@@H](O)C=C 834328942 XUSFMSGQAFPNAL-UWVGGRQHSA-N 324.299 -0.023 30 20 DBED COC(=O)c1cnn(CC(=O)OCCn2ncc(C#N)c2N)c1 860529630 JQZOVNROXXNBJN-UHFFFAOYSA-N 318.293 -0.437 30 20 DBED N#Cc1cnc(N2CCN[C@@H](C(N)=O)C2)c(Br)c1 881780637 AFZLBTVBQKSZDR-SECBINFHSA-N 310.155 -0.021 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)c3cnnn3C)C2)cn1 938376062 ZSSWCOLRLBODIH-ZDUSSCGKSA-N 324.344 -0.164 30 20 DBED O=C1CC[C@H](CC(=O)N[C@@H]2CCN(C(=O)C#CC3CC3)C2)N1 941499977 CHTIWBWYAJPAFM-CHWSQXEVSA-N 303.362 -0.214 30 20 DBED CO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1NC(=O)c1[nH]c(O)nc1C 942170207 MQPCRMDKZZQWOE-SZEHBUNVSA-N 321.337 -0.461 30 20 DBED C#Cc1cncc(C(=O)N[C@H]2CCN(CC(N)=O)C[C@H]2C)c1 942618043 STOOUTBCMAAMOI-RISCZKNCSA-N 300.362 -0.012 30 20 DBED Cn1ncc(C(=O)NC[C@H]2CCCN2C(=O)C#CC2CC2)n1 944007337 GBPGHRBCFTYCQI-GFCCVEGCSA-N 301.350 -0.051 30 20 DBED C#CCN1CCC[C@@H](N(C)C(=O)C[C@@H]2NC(=O)NC2=O)CC1 948444533 CXSWMCQLMOHMAH-NEPJUHHUSA-N 306.366 -0.469 30 20 DBED C=CCN1CC[C@@H](N2CCN(C(=O)C(C)(C)C(N)=O)CC2)C1=O 948882201 CBZJTMWTFWKCAK-GFCCVEGCSA-N 322.409 -0.571 30 20 DBED O=C1NC[C@H](C(=O)N2CCN(CC#Cc3ccccc3)CC2)N1 949953260 GAIHECFUYJJYEW-OAHLLOKOSA-N 312.373 -0.136 30 20 DBED CCN(C(=O)[C@H]1CN2CC3CC2(CO1)C3)C1CN(CC#N)C1 950923654 GRRDTEARJXXYOI-CXOJTPOUSA-N 304.394 -0.094 30 20 DBED C=C(C)CN1CCN(C(=O)Cn2ncn3nccc3c2=O)CC1 951166214 LYAZDIGPYVVSBQ-UHFFFAOYSA-N 316.365 -0.389 30 20 DBED C=C(C)C(C)(C)C(=O)N1CC[C@H]1CNC(=O)[C@@H]1CNC(=O)N1 951874977 RQLWRGCNWVBTOH-QWRGUYRKSA-N 308.382 -0.013 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H]1C1CCN(C(=O)C(N)=O)CC1 953485425 IDDGVZPBTSWLNQ-PWSUYJOCSA-N 306.366 -0.139 30 20 DBED C[C@H](C#N)C(=O)N1CCC([C@H]2CCCN2C(=O)C(N)=O)CC1 953487809 UAFPPLUFRSFSLG-ZYHUDNBSSA-N 306.366 -0.139 30 20 DBED C[C@H](C#N)C(=O)N1CC(N(C)C(=O)c2cc3n(n2)CCO3)C1 954549564 WTWHRWYMQQFBPB-SECBINFHSA-N 303.322 -0.282 30 20 DBED CN(C(=O)Cc1nc[nH]n1)C1CN(C(=O)c2ccc(C#N)[nH]2)C1 955386411 BEORPSMAKUIHKP-UHFFFAOYSA-N 313.321 -0.470 30 20 DBED CC(C)(C)n1cc(C(=O)NC[C@@H]2CN(CC#N)C[C@H]2O)nn1 958126064 HCFGGDJRVQKFLW-ZYHUDNBSSA-N 306.370 -0.421 30 20 DBED C=CCn1cccc1C(=O)NC[C@@H]1CN(CC(N)=O)C[C@@H]1O 958138861 JDKIUUQWTCPDAY-YPMHNXCESA-N 306.366 -0.818 30 20 DBED C=CCN1C[C@@H](O)[C@@H](CNC(=O)c2ccnc3nc(C)nn23)C1 958586498 AIHQOSBSXJAWHM-WCQYABFASA-N 316.365 -0.359 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2[C@@H]3CN(Cc4nnn(C)n4)C[C@@H]32)nc1 962328707 DIEGIMAVQJPTKZ-JYAVWHMHSA-N 323.360 -0.553 30 20 DBED Cc1nnc2n1C[C@@H](C(=O)N[C@H]1[C@@H]3CN(CC#N)C[C@@H]31)CC2 962722057 QBHUTSSSYDGGEI-CIQGVGRVSA-N 300.366 -0.281 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2CCCCN2C(=O)C(N)=O)nc1 964573571 JVEDCHUGQCYEDB-GFCCVEGCSA-N 314.345 -0.341 30 20 DBED C[C@H]1CN(C(=O)c2cnn[nH]2)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 966573389 PRRSRVUUANECPR-QPUJVOFHSA-N 313.321 -0.105 30 20 DBED Cc1cc(C)n(CC(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)n1 968814119 KGBTXXCSNPCBIR-WQAKAFBOSA-N 319.365 -0.652 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@H](NC(=O)[C@H]2CCN(C)C2=O)C1 969840410 KBBVUEXAHTYMEQ-UTUOFQBUSA-N 323.393 -0.635 30 20 DBED CC#CCN1CCO[C@@]2(CCN(C(=O)[C@@H]3CCNC3=O)C2)C1 972493605 CZHNPCJSAACFKG-CJNGLKHVSA-N 305.378 -0.551 30 20 DBED C=CCN1CCO[C@]2(CCN(C(=O)CN3C(=O)CCC3=O)C2)C1 972670210 ZGURGOMDFWPRPT-MRXNPFEDSA-N 321.377 -0.375 30 20 DBED C=C(C)C(C)(C)C(=O)N1C[C@H]2[C@H](NC(=O)[C@H]3CNC(=O)N3)[C@H]2C1 977085284 RQXJAGWODTXQLD-KXNHARMFSA-N 320.393 -0.157 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2[C@H](NC(=O)C(N)=O)[C@H]2C1 977094957 MEXUVXKSRYZWKM-GCHJQGSQSA-N 307.350 -0.974 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](CN(C)C(=O)c2c[nH]c(=O)cn2)C1 988287370 PGTUVMSCCSANOG-QWRGUYRKSA-N 317.349 -0.150 30 20 DBED C[C@@H]1C[C@@H](NCc2nnn(C)n2)CN1C(=O)c1ccc(C#N)[nH]1 988649365 BRDRGZDAPRFNJJ-MWLCHTKSSA-N 314.353 -0.197 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CC(N)=O)[C@@H]1C 988738496 OVJWMODEFYPQSU-AGIUHOORSA-N 320.393 -0.935 30 20 DBED C[C@H](C#N)C(=O)N1CC(NC(=O)c2cnc3n2CCOC3)C1 994834383 OQLXLXXURLYSOX-SECBINFHSA-N 303.322 -0.486 30 20 DBED N#CCN1CC[C@@H](n2cc(CNC(=O)c3cn[nH]c3)nn2)C1 999954159 FKMOSMMWUZCLTA-GFCCVEGCSA-N 300.326 -0.298 30 20 DBED C=CC(C)(C)C(=O)N1CCN(C(=O)Cn2ncn(C)c2=O)CC1 1011354017 OHHUXIBWHFEMPQ-UHFFFAOYSA-N 321.381 -0.535 30 20 DBED N#Cc1c[nH]c(C(=O)N2C[C@@H]3C(NC(=O)c4cnon4)[C@H]3C2)c1 1013641159 ZWMBVPXSMJLTFS-IUCAKERBSA-N 312.289 -0.230 30 20 DBED CC#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CC(=O)N(C)C1=O 1018171078 ZKGCLGQWNQESPX-BETUJISGSA-N 318.377 -0.421 30 20 DBED C#Cc1cncc(C(=O)N2C[C@@H](NC(=O)C(N)=O)CC[C@@H]2C)c1 1018377406 YLFWXPOPJLGCDQ-GWCFXTLKSA-N 314.345 -0.343 30 20 DBED C#CCN[C@H]1C[C@@H](NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 1022073873 AMFMRWFVOVYHIZ-SDDRHHMPSA-N 301.350 -0.367 30 20 DBED Cc1ccnn1CC(=O)N[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1O 1023735890 RKJKWAMKMSPTQT-YUSALJHKSA-N 305.338 -0.961 30 20 DBED C#CCN1CCC(C(=O)NCC2CN([C@@H]3CCNC3=O)C2)CC1 1032206533 CQUNNUXZLMYFBZ-OAHLLOKOSA-N 318.421 -0.732 30 20 DBED C#CCN[C@H]1CC[C@H](NC(=O)Cn2nc(C)n(C)c2=O)CC1 1034787838 SRZJFYIOUBHFMW-JOCQHMNTSA-N 305.382 -0.460 30 20 DBED C#CCCN1CCO[C@H](CNC(=O)c2cc3n(n2)CCO3)C1 1035397866 HRCFEXHCWJQJCV-GFCCVEGCSA-N 304.350 -0.271 30 20 DBED N#CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)Cn1nnc(-c2ccco2)n1 1037474317 ZJTOZPIYFBUHTB-NRUUGDAUSA-N 313.321 -0.354 30 20 DBED CC[C@H]1CN(C(=O)c2cn(CC(N)=O)nn2)CC[C@H]1NCC#N 1037984357 RDNFBDPWRIMGPT-WDEREUQCSA-N 319.369 -0.883 30 20 DBED C=CCCC(=O)N1CC[C@@](O)(CNC(=O)C[C@H]2CCC(=O)N2)C1 1040285670 UOXLIRLZCHZMAP-MLGOLLRUSA-N 323.393 -0.299 30 20 DBED Cc1nc(C(=O)N2CC[C@@](O)(CNC(=O)[C@@H](C)C#N)C2)co1 1040764751 YOLNPACJQXLNPJ-LKFCYVNXSA-N 306.322 -0.164 30 20 DBED Cc1ncc(C(=O)N[C@@H]2CN(c3cncc(C#N)n3)C[C@H]2O)[nH]1 1040952580 WJMHOMZXBWFKSQ-VXGBXAGGSA-N 313.321 -0.641 30 20 DBED N#Cc1cnc(N2C[C@@H](O)[C@H](NC(=O)Cc3ccoc3)C2)cn1 1040998053 QOZZBELZFNGXGB-CHWSQXEVSA-N 313.317 -0.150 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2cncs2)C1 1041743619 XKXYXKCTLVDRSY-JTQLQIEISA-N 323.374 -0.516 30 20 DBED CN1CC[C@H](N2CC(N(C)C(=O)c3cc(C#N)c[nH]3)C2)C1=O 1042589025 AMCTZQRUFOCQPY-ZDUSSCGKSA-N 301.350 -0.127 30 20 DBED C=C(C)CCC(=O)NCC1(O)CN(C(=O)[C@]2(C)CCNC2=O)C1 1043316114 WKLPEUIMPTVGGB-OAHLLOKOSA-N 323.393 -0.442 30 20 DBED N#Cc1c(F)cccc1N1C[C@H]2[C@@H](C1)OCCN2C(=O)C(N)=O 1043780395 OMGZKMZGJSKINT-QWHCGFSZSA-N 318.308 -0.401 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2cc(F)c[nH]2)C1 1043929914 QMTWHDKHJJTWKK-JTQLQIEISA-N 323.324 -0.505 30 20 DBED CCCc1cc(C(=O)NCC2(O)CN(C(=O)[C@H](C)C#N)C2)n[nH]1 1044353865 LSQOVOFNBPSIDA-SNVBAGLBSA-N 319.365 -0.175 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)[C@H](C)CC(N)=O)C1 1044464521 PTUCMYOOUVRONJ-SNVBAGLBSA-N 311.382 -0.600 30 20 DBED C=CCN1CC[C@H](N2CC[C@](C)(NC(=O)c3nc[nH]n3)C2)C1=O 1046712437 WBSBUYCWZZYIMO-NHYWBVRUSA-N 318.381 -0.214 30 20 DBED C#CCN1CCC(C(=O)N[C@]2(C)CCN(CC(N)=O)C2)CC1 1046849758 IOLAGDVZKXXUBE-MRXNPFEDSA-N 306.410 -0.603 30 20 DBED C=CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 1047530077 MCRPBFOJHQAQHE-RFGFWPKPSA-N 309.410 -0.210 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC(=O)N(CCC)C2)C1 1047548116 RBQVHLVIIDVKCI-IHRRRGAJSA-N 307.394 -0.618 30 20 DBED C=CCCO[C@@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)COC)C1 1048023068 XBCXBZPNZWWQSG-AVGNSLFASA-N 314.382 -0.356 30 20 DBED C=CCCC(=O)N(C)[C@H]1CN(C(=O)[C@H](C)NC(C)=O)C[C@@H]1O 1048506072 HFQYAXVBKNBSPM-DRZSPHRISA-N 311.382 -0.493 30 20 DBED CC1(C)CC(=O)N(CC(=O)N2C[C@@H]3CN(CC#N)C[C@@H]3C2)C1=O 1048820763 NVTRROFADSOYNJ-TXEJJXNPSA-N 318.377 -0.315 30 20 DBED C=C(C)CCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCNC2=O)C1 1049159604 OMWGCRCAYCTNJE-AVGNSLFASA-N 323.393 -0.491 30 20 DBED COCC1(CC(=O)N2C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)C#N)C2)CC1 1049393744 DSKJALLFUDBRAB-AVGNSLFASA-N 323.393 -0.007 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)c2ncccn2)C[C@@H]1O 1049395343 UDGZTTJEYDXDBZ-VWYCJHECSA-N 303.322 -0.720 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)C1CC(=O)NC(=O)C1)C2 1050699740 NUCMODGIXZGFFV-UHFFFAOYSA-N 303.362 -0.403 30 20 DBED C=C(C)CN1CCOC[C@H]1CNC(=O)[C@@H]1CCS(=O)(=O)C1 1051011455 JXXGNECRXBQCHY-CHWSQXEVSA-N 316.423 -0.186 30 20 DBED Cn1cnc(C(=O)N2CC[C@@H](N3CCN(CC#N)CC3)C2)n1 1052023245 QKGNNNGWFZPOPQ-GFCCVEGCSA-N 303.370 -0.829 30 20 DBED N#CCN1CCN([C@@H]2CCN(C(=O)c3ccnnc3)C2)CC1 1052086774 ICLIMXPYHQIJTF-CQSZACIVSA-N 300.366 -0.168 30 20 DBED C#CCN1CC2(CC[C@H](CNC(=O)c3ccc(C(N)=O)o3)O2)C1 1053626598 ZYBZHGINKUBOCB-LLVKDONJSA-N 317.345 -0.025 30 20 DBED C[C@H](C#N)C(=O)N[C@@]1(CO)CCCN(C(=O)c2ncccn2)C1 1056095736 DFGDPBROXBLKHV-ABAIWWIYSA-N 317.349 -0.280 30 20 DBED CS(=O)(=O)CC(=O)N1CC[C@@H](Nc2cncc(C#N)n2)C1 1056580710 JPKOMIHNJAWIFV-SECBINFHSA-N 309.351 -0.594 30 20 DBED N#Cc1cnc(N2CCCN(C(=O)[C@H]3CNC(=O)N3)CC2)cn1 1057216214 IBTUWGSMTSTVJJ-LLVKDONJSA-N 315.337 -0.932 30 20 DBED C#CCOCCC(=O)N(CCO)CCNC(=O)c1ccon1 1057581399 RZCCSEAHELORLN-UHFFFAOYSA-N 309.322 -0.735 30 20 DBED N#Cc1cnc(N2CCC[C@H](NC(=O)Cn3cnnn3)C2)cn1 1058118934 UJPWVEJWBWDTJB-JTQLQIEISA-N 313.325 -0.880 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)c1ccc(C(N)=O)o1 1058205157 QLVCSWLVKQZWHB-VIFPVBQESA-N 322.321 -0.911 30 20 DBED N#Cc1ccc(N2CC[C@H](NC(=O)[C@@H]3COC(=O)N3)C2)nn1 1058350580 OSXOPOFBKRXAHW-UWVGGRQHSA-N 302.294 -0.848 30 20 DBED N#Cc1nc(=N[C@H]2CCN(C(=O)C34CCN(CC3)C4)C2)cc[nH]1 1058934057 BTHVVRAPFRDWOC-LBPRGKRZSA-N 312.377 -0.121 30 20 DBED N#Cc1cncc(N[C@H]2C[C@H](NC(=O)[C@@H]3CCC(=O)NC3)C2)n1 1059463001 FSVFXEXOFWSZGF-GMTAPVOTSA-N 314.349 -0.066 30 20 DBED CN1CC[C@@H](C(=O)N[C@H]2C[C@@H](Nc3nccnc3C#N)C2)C1=O 1059786180 HOJVJEGQGATVFF-AXFHLTTASA-N 314.349 -0.114 30 20 DBED N#Cc1nccnc1N[C@H]1C[C@@H](NC(=O)[C@@H]2CCC(=O)NC2)C1 1059878946 RGJJLXLGYHCEED-MXWKQRLJSA-N 314.349 -0.066 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H]1CC[C@H](CNC(=O)C(N)=O)CC1 1060733571 RTUVVDRQLSYIAB-SRVKXCTJSA-N 309.366 -0.699 30 20 DBED N#Cc1cncc(NC[C@@H]2CCN(C(=O)[C@H]3CCC(=O)N3)C2)n1 1060826787 GOERRMRSHWUYQY-CMPLNLGQSA-N 314.349 -0.113 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCOC[C@H]1CNC(=O)c1ccon1 1061350095 MUBWFOBMYNSDDD-NWDGAFQWSA-N 321.333 -0.330 30 20 DBED C#CCNC(=O)CC(=O)NC1(CNC(=O)c2cnco2)CCC1 1063775034 NDWBVSDIMUHKPM-UHFFFAOYSA-N 318.333 -0.417 30 20 DBED N#Cc1cccnc1N1C[C@H]2C[C@H]1[C@@H]2NC(=O)Cn1ncnn1 1064297599 LGTTUXWKSURIIL-NTZNESFSSA-N 310.321 -0.667 30 20 DBED C=CCOCC(=O)N1CCO[C@@H](CNC(=O)c2cnco2)C1 1064974225 OIYXGFPPROSTSO-NSHDSACASA-N 309.322 -0.166 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)CCCC(N)=O)CCO1 1065305746 SSUPQHACMMJFJG-LBPRGKRZSA-N 311.382 -0.048 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)CNC(=O)C2CC2)C1 1065555868 AVSSFAREKHZXCT-JQWIXIFHSA-N 322.365 -0.984 30 20 DBED COCC(=O)N1CCC[C@@](CO)(Nc2ccnc(C#N)n2)C1 1066879937 TUEGANXEBFLIAB-CQSZACIVSA-N 305.338 -0.240 30 20 DBED C#CCOCCC(=O)N(C)CCCN(C)C(=O)c1cnnn1C 1067310772 VBTRTKIKNYPRFC-UHFFFAOYSA-N 321.381 -0.225 30 20 DBED C[C@H](C#N)C(=O)N(C)CCCN(C)C(=O)CCS(C)(=O)=O 1067739603 IVSPDLCIIYNSLN-LLVKDONJSA-N 317.411 -0.112 30 20 DBED N#Cc1cncc(NCC2CC(NC(=O)Cn3cnnn3)C2)n1 1067829139 IOJLGJWCLMKXKJ-UHFFFAOYSA-N 313.325 -0.658 30 20 DBED C[C@@H]1C[C@@H](CN=c2cc[nH]c(C#N)n2)CN1C(=O)CC(N)=O 1068303818 UHQSIWSMIOLDOF-ZJUUUORDSA-N 302.338 -0.706 30 20 DBED CN(C(=O)c1cnnn1C)C1CC(N=c2cc[nH]c(C#N)n2)C1 1069735995 SJIHCUUMUUPDFM-UHFFFAOYSA-N 312.337 -0.386 30 20 DBED C#CCN[C@@H]1CN(C(=O)CC2=CCOCC2)C[C@@H]1n1ccnn1 1070267668 KUVBKZLHISKTGZ-CABCVRRESA-N 315.377 -0.010 30 20 DBED CO[C@H](C)C(=O)N1C[C@H](c2n[nH]c(C)n2)C2(CN(CC#N)C2)C1 1070441652 ZWBXEVPPTAAFQA-ZYHUDNBSSA-N 318.381 -0.101 30 20 DBED C=CCO[C@H](C)C(=O)N1CCC[C@@H](NC(=O)Cn2nccn2)C1 1070903590 GDDHKYZUFAIVFA-CHWSQXEVSA-N 321.381 -0.024 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)C2(C(N)=O)CC2)CC1 1070993898 UCECOIPHUVQPFQ-UHFFFAOYSA-N 308.382 -0.912 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCCN(C(=O)[C@H](F)CC)C1 1071093259 ZKOKALDBABAFHK-VXGBXAGGSA-N 311.357 -0.019 30 20 DBED C[C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 1071572849 AWTJMYCPQWSFHB-LDYMZIIASA-N 318.337 -0.869 30 20 DBED C=CCOCC(=O)N1C[C@H](C)[C@@H](NC(=O)c2c[nH]c(=O)cn2)C1 1071809640 WXNBQGIEWXGTTG-JQWIXIFHSA-N 320.349 -0.451 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)C(F)F)C1 1071936119 LQDPPSLJMRFIER-BDAKNGLRSA-N 301.293 -0.646 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1C 1072522400 SZCIQRKKYPBUPO-WDEREUQCSA-N 305.338 -0.579 30 20 DBED C[C@@H](C(=O)N1CC2(CCN(CC#N)C2)C1)N1C(=O)CCC1=O 1072799670 QTGCEAZIUIFXCZ-NSHDSACASA-N 304.350 -0.418 30 20 DBED C#CCCN1CCC2(C1)CN(C(=O)Cn1ccc(O)nc1=O)C2 1072901293 JJXLMDWDLWPYCT-UHFFFAOYSA-N 316.361 -0.494 30 20 DBED CC1(NC(=O)CSCC#N)CCN(C(=O)CC(N)=O)CC1 1072914458 JEUDXOPDBRYXEP-UHFFFAOYSA-N 312.395 -0.384 30 20 DBED CC(C)C#CC(=O)NC1(C)CCN(C(=O)c2nnn(C)n2)CC1 1073197377 NDKOPYOGBRMCBO-UHFFFAOYSA-N 318.381 -0.020 30 20 DBED N#CCN1CCCO[C@@H](CNC(=O)[C@@H]2CCCc3nn[nH]c32)C1 1073749401 YGMABVGQPNRSNP-NWDGAFQWSA-N 318.381 -0.045 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC[C@@H]2CN(C(=O)C(N)=O)C[C@@H]2CC1 1074323615 IKBYDBPFTKSYTR-BFQNTYOBSA-N 323.393 -0.504 30 20 DBED CC#CCN1CCO[C@H]2CCN(C(=O)c3c[nH]c(=O)cn3)C[C@H]21 1074323915 GZNMORMTPJLFPB-KGLIPLIRSA-N 316.361 -0.292 30 20 DBED C#CCCCCC(=O)N1CCC(O)(CNC(=O)CC(N)=O)CC1 1074555098 NBYGVYYEGADPIF-UHFFFAOYSA-N 323.393 -0.475 30 20 DBED C=C[C@@](C)(CC)C(=O)N1CCC(O)(CNC(=O)C(N)=O)CC1 1074717953 PYHJMIQNNCTNBU-AWEZNQCLSA-N 311.382 -0.456 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CCN(C(=O)Cn2cnnn2)[C@H](C)C1 1074972344 DZKVAIFNVPSKNX-CHWSQXEVSA-N 318.381 -0.172 30 20 DBED CC(=O)NCC(=O)NCC[C@H](C)NC(=O)CSCC#N 1075418308 FVFYAFRYEPCUIT-VIFPVBQESA-N 300.384 -0.610 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2cccc(-n3cccn3)n2)C1 1077658928 RTBNHHBMNPHFSY-CHWSQXEVSA-N 312.333 -0.434 30 20 DBED C[C@@H](CCNC(=O)c1nnn(C)n1)NC(=O)c1ccc(C#N)[nH]1 1077877391 LPSGTGZNDUSSCC-QMMMGPOBSA-N 316.325 -0.652 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)c2ccc(N(C)C)nn2)C1 1078020238 GFCMXNKUJJSGLC-CHWSQXEVSA-N 303.366 -0.659 30 20 DBED CCOCC(=O)N1C[C@H](O)[C@H](CNC(=O)CSCC#N)C1 1081287352 WQKMQOLYFQNJIX-MNOVXSKESA-N 315.395 -0.785 30 20 DBED C=CCCCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cn(C)nn2)C1 1081452223 FDAREVOUIDSWBP-YPMHNXCESA-N 321.381 -0.280 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(C(=O)c2cc[nH]n2)C[C@H]1O 1081468630 MFIAGIMTPONQTJ-DGCLKSJQSA-N 302.334 -0.628 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@H](CNC(=O)Cc2n[nH]c(C)n2)C1 1081476287 DPFTWAINICIGIQ-NEPJUHHUSA-N 321.381 -0.443 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@H](CNC(=O)c2ccnnc2)C1 1081798182 WJOPCAKBLIZRRI-KGLIPLIRSA-N 316.361 -0.315 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CCN1C(=O)CCC1=O 1083135811 SMUNIBRXOVLJAO-QWHCGFSZSA-N 319.361 -0.930 30 20 DBED CC#CCN1CC[C@H]1CN(C)C(=O)c1cn(C)c(=O)nc1O 1085968447 JKPBEVKEGOFQDY-NSHDSACASA-N 304.350 -0.345 30 20 DBED C=CCN1CC[C@H](N[C@H]2C[C@@H](CNC(=O)c3cnn[nH]3)C2)C1=O 1086135513 IYXWJJLKVWIAEE-TUAOUCFPSA-N 318.381 -0.310 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@H]2CCN(C)C2)C[C@H]1c1cnn(C)c1 1087009760 XFUQINQMKLZXGV-CWRNSKLLSA-N 315.421 -0.111 30 20 DBED N#CCN1C[C@@H](NC(=O)[C@@H]2COCCO2)CC2(CCOCC2)C1 1089927786 UGINXAYRQQZSOI-KBPBESRZSA-N 323.393 -0.087 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@H]2COC(=O)N2)CC2(CCOCC2)C1 1089939182 MSORLCZKWCOCDT-QWHCGFSZSA-N 321.377 -0.285 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2nnn(C(C)(C)C)n2)[C@H](O)C1 1090278582 DVYARYBNNVCFRW-VXGBXAGGSA-N 320.397 -0.384 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cc3c(cn2)OCCO3)[C@@H](O)C1 1090330075 QTWJFDZZCWOALB-AAEUAGOBSA-N 317.345 -0.349 30 20 DBED C=CCCN1CC[C@H](NC(=O)C2CCN(C(N)=O)CC2)[C@@H](O)C1 1090793963 JDONOCYAFNNUSL-KBPBESRZSA-N 324.425 -0.095 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2cccc(C(=O)NC)c2)[C@@H](O)C1 1090822933 GBVLUXVZYRAVAB-CABCVRRESA-N 315.373 -0.156 30 20 DBED C#CCNC(=O)CC(=O)N1CCN(c2nc(C)ncc2C)CC1 1093148696 MYYRTQBWUJWGIF-UHFFFAOYSA-N 315.377 -0.118 30 20 DBED Cc1nsc(NCCNC(=O)Cn2ncn(C)c2=O)c1C#N 1093963364 JVUWRUBOAORKDD-UHFFFAOYSA-N 321.366 -0.553 30 20 DBED CCS(=O)(=O)NCC(=O)NCCNc1ccc(C#N)nc1 1094187699 ISQVVDNDCGKYDT-UHFFFAOYSA-N 311.367 -0.579 30 20 DBED N#Cc1cncc(NCCNC(=O)C[C@@H]2CCCC(=O)N2)n1 1094259226 KEABUUYSGYKASL-JTQLQIEISA-N 302.338 -0.065 30 20 DBED Cc1cccc(C(=O)N[C@H]2CC(=O)N(C3CN(CC#N)C3)C2)n1 1094704290 STVAIDDKVCEKLV-LBPRGKRZSA-N 313.361 -0.072 30 20 DBED C=C(C)CN1CC(N2C[C@@H](NC(=O)[C@H]3CCC(=O)N3)CC2=O)C1 1094717263 IIJTXDRIVROGPN-WCQYABFASA-N 320.393 -0.758 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)c3cccc(O)n3)CC2=O)C1 1094723415 JEUNPKMFVNBBGL-LLVKDONJSA-N 316.361 -0.012 30 20 DBED C[C@@]1(C(=O)NCCCN=c2cc[nH]c(C#N)n2)CCNC(=O)C1 1094875229 DYGRDTDPGKZINE-OAHLLOKOSA-N 316.365 -0.395 30 20 DBED CNS(=O)(=O)CC(=O)N1CC[C@@H](Nc2ncccc2C#N)C1 1095039966 DVYNKBSWXSWKMI-LLVKDONJSA-N 323.378 -0.485 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CCN(c2nccc(C)n2)C1 1096359778 GTCJREJZFWQJRY-LBPRGKRZSA-N 301.350 -0.381 30 20 DBED C=C(C)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN1C(=O)CNC1=O 1096501494 DZLPPOSDGDOWLT-WOPDTQHZSA-N 306.366 -0.164 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](Nc2nccnc2F)C1 1096937029 FJSOJIHWETVCCK-JTQLQIEISA-N 305.313 -0.232 30 20 DBED CNS(=O)(=O)CC(=O)N[C@H]1C[C@@H](Nc2ccc(C#N)nc2)C1 1097186315 ABNPRPZGQJFRPX-TXEJJXNPSA-N 323.378 -0.438 30 20 DBED Cc1cc(C#N)nc(N2CCC[C@H]([C@@H](C)NC(=O)C(N)=O)C2)n1 1097548385 URDBYCQJHLGJRK-MNOVXSKESA-N 316.365 -0.137 30 20 DBED C[C@@H](CNC(=O)C1CC(=O)NC(=O)C1)Nc1cnc(C#N)cn1 1097936629 KZBHCHCYUDWICQ-QMMMGPOBSA-N 316.321 -0.682 30 20 DBED C[C@@H](CNC(=O)CCCCNC(N)=O)N=c1cc[nH]c(C#N)n1 1098136743 MFRMRNSHOIXPKZ-JTQLQIEISA-N 319.369 -0.475 30 20 DBED C#CCN(CCO)C1CCN(C(=O)Cc2nnc(C)o2)CC1 1098358394 LRBKWPVRIKRKQF-UHFFFAOYSA-N 306.366 -0.161 30 20 DBED CC(=O)N(C)CC(=O)N[C@@H]1CN(CC#N)CC2(CCOCC2)C1 1099567263 HDKVPPUQQQBJCH-AWEZNQCLSA-N 322.409 -0.024 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CCN(CCC2CC2)C[C@H]1O 1099788520 FYLKHJJKFMYRSO-UONOGXRCSA-N 307.394 -0.523 30 20 DBED CC#CCN1CC[C@H](NC(=O)CNC(=O)C2CCCC2)[C@H](O)C1 1099848511 VWCBKVHIYCQWPI-LSDHHAIUSA-N 321.421 -0.133 30 20 DBED CN(CCNC(=O)CNC(N)=O)c1ccc([N+](=O)[O-])cc1C#N 1099910641 MEFJEFZDYQHATF-UHFFFAOYSA-N 320.309 -0.313 30 20 DBED CC1(CC(=O)N[C@@H]2CCN(CC(=O)NCC#N)C[C@H]2O)CC1 1099927913 GDUJBHMLBGLFPG-VXGBXAGGSA-N 308.382 -0.632 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)CCN2CCOCC2)[C@@H](O)C1 1100037216 VYZBQWPHTFSCEO-CABCVRRESA-N 311.426 -0.164 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2ccncn2)[C@H](O)C1 1100039792 VVSQSSFNVKNZJF-TZMCWYRMSA-N 304.350 -0.709 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)c2c[nH]cc2C)[C@H](O)C1 1100107764 LISHEIROMPIPMA-ZIAGYGMSSA-N 320.393 -0.210 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)c2cnnc(O)c2)C1 1100425479 JCSMHTFHHUHLAG-UHFFFAOYSA-N 317.349 -0.970 30 20 DBED CCN(CCNC(=O)CCn1cnnn1)c1ccnc(C#N)n1 1100600251 INUXFPDFESVUAZ-UHFFFAOYSA-N 315.341 -0.632 30 20 DBED CCN(CCNC(=O)[C@H]1CCNC1=O)c1cnc(C#N)cn1 1100694453 AQDMDLKWJDAOER-NSHDSACASA-N 302.338 -0.573 30 20 DBED CNC(=O)CC(=O)NC[C@H]1CCN(c2nc(C)cc(C#N)n2)C1 1100977655 USRJWHHRUJPJNC-LLVKDONJSA-N 316.365 -0.265 30 20 DBED COCC#CCN1C[C@@H](C)[C@H](CNC(=O)c2ncn(C)n2)C1 1101933687 SKRXVFKMGMLWSG-CHWSQXEVSA-N 305.382 -0.237 30 20 DBED CN(CCNc1cnc(C#N)cn1)C(=O)c1cn(C)c(O)n1 1101939743 CUDPGBNFELSMHU-UHFFFAOYSA-N 301.310 -0.029 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)[C@@H]1COCCO1 1103880078 RRIVNLFGAUDUEL-QWRGUYRKSA-N 305.338 -0.650 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(n2cc(CNC[C@@H](C)O)nn2)C1 1105240263 GCMUPDHYIRMGMW-VXGBXAGGSA-N 321.381 -0.830 30 20 DBED C#CCNCc1cn(C2CN(C(=O)CCc3cnc[nH]3)C2)nn1 1105254398 YXUARPGQLNBDMM-UHFFFAOYSA-N 313.365 -0.260 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@H](O)CN=c1cc(C)[nH]cc1C#N 1105805727 HSFSIIWFHUQYPT-XJKSGUPXSA-N 318.377 -0.100 30 20 DBED COCCO[C@H](C)C(=O)NC[C@@H](O)CNc1ncccc1C#N 1105961842 AZKDULLKVADLSU-YPMHNXCESA-N 322.365 -0.106 30 20 DBED N#Cc1cccnc1NC[C@@H](O)CNC(=O)C[C@@H]1CCNC1=O 1106002068 CMQXTIVXXORIMN-JQWIXIFHSA-N 317.349 -0.632 30 20 DBED N#Cc1cncc(NC[C@H](O)CNC(=O)CCn2ccnc2)n1 1106037971 HRZPFPWOGLOBFI-LBPRGKRZSA-N 315.337 -0.476 30 20 DBED Cc1cc(=NC[C@H](O)CNC(=O)c2cnn[nH]2)c(C#N)c[nH]1 1106172196 VPSCKTCBCXCHTH-JTQLQIEISA-N 301.310 -0.996 30 20 DBED C=CCN1CC(n2cc(CNC(=O)C[C@H]3COC(=O)C3)nn2)C1 1107157282 MSKGOJHEXCOMMT-LLVKDONJSA-N 319.365 -0.110 30 20 DBED N#CCN1CC(n2cc(CNC(=O)COCC(F)F)nn2)C1 1107190357 SMCGYAYCLZASDO-UHFFFAOYSA-N 314.296 -0.444 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)[C@@H]1CCNC(=O)C1 1107687355 VRSUVCPCJCBAOO-NXEZZACHSA-N 302.338 -0.787 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 1108025084 SXBQJGLQNRIYIU-IIAWOOMASA-N 309.410 -0.454 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C1=COCCO1 1108888242 KIWCAMPIDDTHTK-AGIUHOORSA-N 319.361 -0.655 30 20 DBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C1=CCOCC1 1109185782 KRHLEZZPBXEFPT-RDBSUJKOSA-N 318.377 -0.306 30 20 DBED C[C@H](CC(=O)NCC1(N=c2cc[nH]cc2C#N)CC1)NC(N)=O 1110237361 LWEWZUREGYGCHR-SNVBAGLBSA-N 316.365 -0.117 30 20 DBED N#Cc1cncc(N2CC[C@@](O)(CNC(=O)[C@H]3CCCO3)C2)n1 1111032211 VJDZFDJMKHWSFO-IUODEOHRSA-N 317.349 -0.415 30 20 DBED COCC1(C(=O)N(CCO)CCN=c2cc[nH]c(C#N)n2)CC1 1111530162 FVODPCOWYXIPBH-UHFFFAOYSA-N 319.365 -0.570 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H]1COCCN1c1ncccn1 1111700060 IHXJOHQHUZUUEI-OLZOCXBDSA-N 304.350 -0.164 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCN(Cc2nnnn2C2CC2)CC1 1112845015 QIONXPYRKVCGRJ-LBPRGKRZSA-N 318.381 -0.310 30 20 DBED C[C@H](NC(=O)Cn1cnnc1O)[C@@H](C)Nc1nccnc1C#N 1112978501 MUSGTBGANKISDW-DTWKUNHWSA-N 316.325 -0.349 30 20 DBED COCC#CCN1CCN(C(=O)[C@H](OC)[C@@H]2CCOC2)CC1 1113158943 RLDBPYPDXYKDCI-HUUCEWRRSA-N 310.394 -0.168 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)[C@]2(F)CCOC2)CC1 1113257116 PSTJWUGGOZPVAL-DOMZBBRYSA-N 313.373 -0.050 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)[C@@H](CC)NC(C)=O)CC1 1113368482 MGMAAYKCZZDQFQ-GXTWGEPZSA-N 322.409 -0.817 30 20 DBED N#CCNC(=O)CN1C[C@H]2C(NC(=O)c3cncs3)[C@@H]2C1 1113948164 NKQLBCGPMDDEQX-RKDXNWHRSA-N 305.363 -0.557 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)Cc3cc(C)[nH]n3)[C@H]2C1 1114118465 ZAAHKMWMIHWARO-STQMWFEESA-N 317.393 -0.391 30 20 DBED C#CCO[C@H](C)C(=O)NC1[C@H]2CN(CC(=O)NCC3CC3)C[C@H]12 1114271153 QEVSUNKMSSPMEA-XBFCOCLRSA-N 319.405 -0.403 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)c3cnco3)[C@H]2C1 1114641886 LKTLGPSYYZXJKA-MEWQQHAOSA-N 302.334 -0.528 30 20 DBED C[C@H]1C[C@H](CNc2cncc(C#N)n2)CN1C(=O)CNC(N)=O 1114662766 BHMNKEPHNREAOZ-VHSXEESVSA-N 317.353 -0.335 30 20 DBED N#CCNC(=O)CN1C[C@@H]2C(NC(=O)Cc3cscn3)[C@H]2C1 1114932673 KGTKTZIRRXPEFN-QWRGUYRKSA-N 319.390 -0.628 30 20 DBED C[C@H](CCCNc1cnc(C#N)cn1)NC(=O)Cn1ncnn1 1115012042 FBXBPZNVGHMHGG-SNVBAGLBSA-N 315.341 -0.268 30 20 DBED CCc1cc(C(=O)NC2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]23)no1 1115133186 ZZHHLFAYFBHJHH-GHMZBOCLSA-N 317.349 -0.463 30 20 DBED C=CCn1cc(C(=O)Nc2ccn(CCS(C)(=O)=O)n2)nn1 1118270453 DOCNJYMJFCKGEB-UHFFFAOYSA-N 324.366 -0.043 30 20 DBED C=C(C)CN(C)C(=O)C(=O)N1CCC[C@H]1CS(=O)(=O)NC 1118766327 IYKJLOSWYXSVOB-NSHDSACASA-N 317.411 -0.439 30 20 DBED N#Cc1nc(=N[C@@H](CO)CNC(=O)Cc2cccs2)cc[nH]1 1121113420 SEZMCGWKDVAEFD-SNVBAGLBSA-N 317.374 -0.037 30 20 DBED CC(=O)N[C@@H](C)C(=O)N(C)C[C@@H](O)CN=c1cc[nH]cc1C#N 1124059617 KBGNQKFCJLJIDI-GWCFXTLKSA-N 319.365 -0.869 30 20 DBED C#CCNC(=O)CC(=O)NCCNCC(=O)N(CC)CC(=C)C 1125978013 JYRYTEDKRSMIGF-UHFFFAOYSA-N 322.409 -0.744 30 20 DBED C#CCNC(=O)CC(=O)NCCNC[C@H](O)CC(F)(F)F 1125982352 YLXRJYFNQOBDDF-SECBINFHSA-N 309.288 -0.855 30 20 DBED N#Cc1cnc(N2CC=C(CNC(=O)CNC(N)=O)CC2)cn1 1127546841 MWSSFSSIYBLJLK-UHFFFAOYSA-N 315.337 -0.731 30 20 DBED N#CCNCc1nnc2n1CC[C@@H](NC(=O)[C@H]1CCCO1)CC2 1127951300 WCDYNWNUUDKRLZ-NWDGAFQWSA-N 318.381 -0.109 30 20 DBED C=CCCC(=O)N[C@@H]1CN([C@@H]2CCNC2=O)C[C@@H]1n1ccnn1 1128807538 UFKBZAKBYKOHLQ-UPJWGTAASA-N 318.381 -0.526 30 20 DBED CC(C)N1CCC[C@H]1CC(=O)NCCNCC(=O)NCC#N 1129410946 RVVYLGCDWWLJRL-ZDUSSCGKSA-N 309.414 -0.405 30 20 DBED CC#CCN[C@@H]1CN(C(=O)[C@H](C)COC)C[C@@H]1n1ccnn1 1129677643 JTNHTJSUOZFQLA-MCIONIFRSA-N 305.382 -0.075 30 20 DBED COCCC(=O)N1C[C@H](c2n[nH]c(C)n2)C2(CN(CC#N)C2)C1 1130455705 FUYRYSVIMSORSP-GFCCVEGCSA-N 318.381 -0.099 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1cnc2ccccn12 1130597063 IKKGKEJYXNETTQ-GFCCVEGCSA-N 313.361 -0.208 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1nc(C)c(C)nc1C 1131114646 QIMQEPBAGAQYJH-CYBMUJFWSA-N 317.393 -0.141 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)C[C@@H](C)NC(N)=O)C[C@@]3(C1)O2 1131230540 LBLJTBPRRMZCOJ-OQMKEHIESA-N 320.393 -0.632 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC(=O)NCCN(CCF)CC1 1131364815 YENIDXCQHIBICP-ZDUSSCGKSA-N 313.373 -0.355 30 20 DBED C#CCNC(=O)CN1C[C@H](NC(=O)c2cnn[nH]2)CC[C@@H]1C 1132144655 IGJIHKFXSBXADQ-WDEREUQCSA-N 304.354 -0.863 30 20 DBED CCN(CC)CC(=O)N[C@@H]1CC[C@H](C)N(CC(=O)NCC#N)C1 1132375524 DTIOHAMTQAINPS-UONOGXRCSA-N 323.441 -0.063 30 20 DBED C=CC(C)(C)C(=O)NCCNCC(=O)N1CCC(C(N)=O)CC1 1132395554 FZZSMHYKRDOUQB-UHFFFAOYSA-N 324.425 -0.372 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)c2nnn(C)n2)CC[C@H]1C 1133034490 DMSGKMHTHXMFIO-CHWSQXEVSA-N 320.397 -0.452 30 20 DBED C=CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)CCn1ccnn1 1134193681 OXIUKNIIXADXGZ-QWHCGFSZSA-N 322.413 -0.157 30 20 DBED C=CCCN[C@H](C)C[C@H](C)NC(=O)CNS(=O)(=O)N(C)C 1135568312 LDUMGLUAPRCKHV-NEPJUHHUSA-N 320.459 -0.169 30 20 DBED C=CCN[C@H](C)C[C@@H](C)NC(=O)CN1CCS(=O)(=O)CC1 1146313299 FYLICTWZANDBSL-CHWSQXEVSA-N 317.455 -0.224 30 20 DBED C[C@@H](C[C@@H](C)NCC#N)NC(=O)CCNC(=O)c1cnccn1 1146452782 YDOMZJOXTAURFR-NEPJUHHUSA-N 318.381 -0.007 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)CCN2CCCC2=O)C1 1150737123 DWCINEHOFFVONN-CQSZACIVSA-N 307.394 -0.161 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H](C)N(CC)C[C@@H](O)COC 1153306633 NIVHIDOTAYPPIQ-MGPQQGTHSA-N 300.399 -0.141 30 20 DBED C=C(C)CN(CC)C(=O)CNCCCNC(=O)CNC(N)=O 1154458137 VMKSHCADEAANDC-UHFFFAOYSA-N 313.402 -0.825 30 20 DBED CCN(CCC#N)C(=O)CNCCCNC(=O)[C@@H]1CCOC1 1155439142 KCJSZMSPQPGXFV-CYBMUJFWSA-N 310.398 -0.119 30 20 DBED C#CCCN1CCC(CNC(=O)[C@@H]2CCNC2=O)(COC)CC1 1162392345 JYZOUUPSKQWYDH-CQSZACIVSA-N 321.421 -0.009 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@H]1CC(=O)N[C@H](CC)C1 1163073637 NMCMLZXTGHTRRE-CHWSQXEVSA-N 324.425 -0.311 30 20 DBED CCN(CCC#N)C(=O)CNCCCNC(=O)c1[nH]nnc1C 1163740143 LOGXFWULBXQXAE-UHFFFAOYSA-N 321.385 -0.415 30 20 DBED C#CCCNCC1(CCNC(=O)CCCS(N)(=O)=O)CC1 1166917499 LFBQMSHNCOIKFJ-UHFFFAOYSA-N 315.439 -0.046 30 20 DBED CCN(CCC#N)C(=O)CNCCCNC(=O)Cc1cnc[nH]1 1167355571 PVJLFHRUMVCYRE-UHFFFAOYSA-N 320.397 -0.190 30 20 DBED C=CCC[C@H](C)NCCCNC(=O)CNC(=O)Cn1cncn1 1176894472 SPMCKKDBMHCJTK-ZDUSSCGKSA-N 322.413 -0.155 30 20 DBED Cc1ncn(C)c1C(=O)N1CC[C@H](NCC(=O)NCC#N)[C@@H]1C 1178940982 RKIQPFYSZGPEMU-RYUDHWBXSA-N 318.381 -0.439 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)Cn2cncn2)[C@H]1C 1180079439 UZJFVEJIEMLTIU-AGIUHOORSA-N 320.397 -0.452 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC[C@H](NCc2nnnn2C)[C@@H]1C 1180269260 OYYWEQGANKJSGE-SRVKXCTJSA-N 308.386 -0.120 30 20 DBED N#CCNC(=O)CN[C@@H]1CCN(C(=O)/C=C\c2ccc[nH]2)C1 1182179958 VQPSDBXGETUYOV-DHCBQETCSA-N 301.350 -0.142 30 20 DBED C#CCC1(C(=O)N2CC[C@@H](N[C@H](C)C(=O)NC(N)=O)C2)CCC1 1183199560 ALXLGSKXMFXEQI-VXGBXAGGSA-N 320.393 -0.046 30 20 DBED C#CCNC[C@H]1CCN(C(=O)CN(C)S(C)(=O)=O)C[C@@H]1C 1184523450 LXGMPSXFOXUXDZ-QWHCGFSZSA-N 315.439 -0.415 30 20 DBED CC#CCNC[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C[C@H]1C 1185639294 CHQCOFTZZRTFLZ-OLZOCXBDSA-N 320.393 -0.364 30 20 DBED C=CCNCc1cn([C@H]2CCCN(C(=O)CNC(C)=O)C2)nn1 1185855905 JFWWJXDXSVTURO-AWEZNQCLSA-N 320.397 -0.147 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)[C@H](NC(C)=O)C(C)C)C1 1187252402 DHBIVRRWVAOJDB-HUUCEWRRSA-N 309.410 -0.013 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)Cn2ccccc2=O)C1 1187720540 WBLJYMFNDGKUBQ-CQSZACIVSA-N 303.362 -0.311 30 20 DBED C[C@H](C(=O)N1CC[C@@H](N(C)CC(=O)NCC#N)C1)n1cncn1 1189705004 FUTTZJXXPWRHJU-VXGBXAGGSA-N 319.369 -0.988 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2cn(C)nn2)C1 1189963041 IWCOHTTWVICAIH-LLVKDONJSA-N 306.370 -0.736 30 20 DBED Cn1cc(CN2C[C@@H](O)[C@H](NC(=O)CSCC#N)C2)cn1 1191161766 KLRYJTJVEHXPAW-VXGBXAGGSA-N 309.395 -0.662 30 20 DBED CCN1CC[C@@H](N2C[C@@H](O)[C@H](NC(=O)C#CC(C)C)C2)C1=O 1192760964 ANPSZJDHIIRRMU-MGPQQGTHSA-N 307.394 -0.572 30 20 DBED CC(C)NC(=O)CN1C[C@@H](O)[C@H](NC(=O)C#CC(C)(C)C)C1 1192871491 QTFRAQXMKLSTLT-CHWSQXEVSA-N 309.410 -0.278 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)NC(=O)c2ccoc2)C1 1193167251 RWQOKYHOXIQEIF-RAIGVLPGSA-N 305.334 -0.808 30 20 DBED C=CCNC(=O)[C@@H](C)N(C)[C@H]1CCN(C(=O)Cc2nc[nH]n2)C1 1193374550 WGHAGVFNKGGXLG-NEPJUHHUSA-N 320.397 -0.429 30 20 DBED C=CCC[C@H](C)N1C[C@@H](O)[C@H](NC(=O)c2cc(=O)n(C)cn2)C1 1193875138 FEZYNJSXLIGPEP-IACUBPJLSA-N 320.393 -0.090 30 20 DBED C=CCC[C@H](C)N1C[C@@H](O)[C@H](NC(=O)C(=O)NCC(F)F)C1 1194329024 ICHMEIPTIXNAMZ-HBNTYKKESA-N 319.352 -0.116 30 20 DBED CCCC(C)(C)C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1O 1195771528 YMBYCRSLQFVFPN-VXGBXAGGSA-N 310.398 -0.386 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)CCc2cncs2)C1 1196215131 UEEUNTKVDREJQR-ZIAGYGMSSA-N 323.418 -0.113 30 20 DBED C=CCCNC[C@H]1CN(C(=O)Cn2ncn(C)c2=O)CCCO1 1200839768 FBYJSTCFMUVXSA-ZDUSSCGKSA-N 323.397 -0.635 30 20 DBED C#CCCNC1CCN(C(=O)CC[C@H]2NC(=O)NC2=O)CC1 1203631933 FQKPPXQLPDPQRG-GFCCVEGCSA-N 306.366 -0.422 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)CCCCOC)[C@H](C)C1 1206495273 HFGKGIROFPYBPL-ZIAGYGMSSA-N 309.410 -0.011 30 20 DBED C#CCCN1C[C@@H](NC(=O)CCNS(C)(=O)=O)[C@H](C)C1 1207297908 IRFFMUZMARCWSZ-VXGBXAGGSA-N 301.412 -0.615 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)c2n[nH]cc2F)[C@H](C)C1 1208520221 BCWLXWNDCKLVCF-MWLCHTKSSA-N 309.345 -0.099 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)c1ccnnc1 1208878398 VNLVYNLFAAWWJC-ZYHUDNBSSA-N 302.338 -0.834 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)c2cnn(C)n2)C1 1210117477 ZOQQAJYYMSIOAU-VXGBXAGGSA-N 318.381 -0.853 30 20 DBED C=CCCCN[C@@H]1CCCN(C(=O)c2cn(CC(N)=O)nn2)C1 1211257331 QXRSQXMEUDAPEY-GFCCVEGCSA-N 320.397 -0.076 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)c2ccncc2)[C@H](OC)C1 1211764769 NQMKZWZATJAJIL-ZIAGYGMSSA-N 318.377 -0.187 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2ncoc2C)[C@H](OC)C1 1211954073 GLNIJRLAMJLLNQ-VXGBXAGGSA-N 320.349 -0.839 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)CCCCOC)C[C@H]1C 1214290520 SGNIPFDVKMNQJF-ZIAGYGMSSA-N 309.410 -0.011 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@@H](NCC(=O)N(C)CC)[C@H](C)C1 1214601812 DOQDGRJUYUXPDN-MGPQQGTHSA-N 309.410 -0.061 30 20 DBED Cc1nnc(CN2C[C@H](O)[C@H](NC(=O)[C@H](C)C#N)C2)n1C1CC1 1219379536 UJZIFSJHDXTBEQ-WQAKAFBOSA-N 318.381 -0.258 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)C(=O)Nc2ccc(OC)cc2)C1 1219959722 IOXOZISTFRTODH-KGLIPLIRSA-N 319.361 -0.019 30 20 DBED C=CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3nonc3C)[C@@H]2C1 1222103257 WNDMSYOOOHBFFE-VXGBXAGGSA-N 319.365 -0.173 30 20 DBED O=C(C#CC1CC1)NC1CCN(CC(=O)N2CCOCC2)CC1 1227289542 AQVRIKBXDCSOIU-UHFFFAOYSA-N 319.405 -0.161 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)[C@H](C)n1cccn1 1230848385 FQELZZGIKYSCRP-KBPBESRZSA-N 317.393 -0.274 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)c1cc(C)n(C)n1 1230917390 VTKIJZLNNXILPG-CYBMUJFWSA-N 317.393 -0.376 30 20 DBED C#CCNC(=O)CC(=O)N(C)C[C@H]1CCN1Cc1cnsn1 1233809692 MVSCMIFJOCYGSY-GFCCVEGCSA-N 321.406 -0.290 30 20 DBED C#CCSCCNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C 1261381067 XMOBLLSTUGWYTA-MNOVXSKESA-N 313.423 -0.302 30 20 DBED C=CCOCC(=O)N[C@@H]1CC[C@H](CNC(=O)CNC(C)=O)C1 1288029729 PSWXJBFAIXXSNR-QWHCGFSZSA-N 311.382 -0.274 30 20 DBED C#CCn1cc(CNC(=O)CCCN2C(=O)CN(C)C2=O)cn1 1321461530 LHPYAPGBTMCKDG-UHFFFAOYSA-N 317.349 -0.193 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N(C)CCNC(=O)N(C)C 1323529146 WWHBYIBSOVOPDK-JTQLQIEISA-N 300.359 -0.967 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)NCC1(OC)CCOCC1 1324211615 QQINTPBKNQETIY-NSHDSACASA-N 300.355 -0.385 30 20 DBED C=CCn1cc(CNC(=O)C(=O)NC[C@@H]2CC[C@@H](C)O2)nn1 1326253506 YCHCKCWUUMPOFN-PWSUYJOCSA-N 307.354 -0.236 30 20 DBED COc1cc(C#N)ccc1NC(=O)C(=O)NCc1cnnn1C 1326898541 DYHKMBAGAARXFG-UHFFFAOYSA-N 314.305 -0.050 30 20 DBED CC(C)N1CCC(O)(CNC(=O)NCC(=O)NCC#N)CC1 1326921927 WVALVGQKFZYPTE-UHFFFAOYSA-N 311.386 -0.839 30 20 DBED N#C[C@@H]1CCCN(C(=O)C(=O)NCC(=O)N2CCCCC2)C1 1334589661 KVGQSUWYVQYBQI-LBPRGKRZSA-N 306.366 -0.123 30 20 DBED C=CCS(=O)(=O)CCN1C(=O)N[C@H](C2CCOCC2)C1=O 1335227493 GYUQIDYXKJDFSP-LLVKDONJSA-N 316.379 -0.066 30 20 DBED C[C@H](C(=O)N1CCC[C@H](CNC(N)=O)C1)n1cnc(C#N)n1 1361649717 GQBDHIYHLOHIEP-NXEZZACHSA-N 305.342 -0.382 30 20 DBED C[C@H](NC(=O)Cn1cc(C#N)c(O)nc1=O)C(=O)NC(C)(C)C 1361972871 FQFAMADHKRDDFL-QMMMGPOBSA-N 321.337 -0.760 30 20 DBED CC(=O)NC[C@@H]1CN(C(=O)NCC2(C#N)CCOCC2)CCO1 1364754488 PHJSJZHOKTYIPN-CYBMUJFWSA-N 324.381 -0.147 30 20 DBED C[C@H](NCC1(O)CCN(C(=O)[C@H](C)C#N)CC1)C(=O)NC1CC1 1368678597 KMDKZHXDONFLPD-NEPJUHHUSA-N 322.409 -0.244 30 20 DBED C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)CN1CCCC1=O 1372823046 IPEULVQRDPHDKJ-JTQLQIEISA-N 317.349 -0.257 30 20 DBED C[C@@H](C#N)C(=O)NCCC1CCN([C@H](C)C(=O)NC(N)=O)CC1 1373936735 XXQROQSUYPWDLL-WDEREUQCSA-N 323.397 -0.052 30 20 DBED C[C@H](C#N)C(=O)N(C)CCN(C)C(=O)C[C@H]1CCN(C)C1=O 1389007108 LRTURYQYTYUHGZ-VXGBXAGGSA-N 308.382 -0.069 30 20 DBED CS[C@H](C)C(=O)NC[C@H](O)CNC(=O)c1c[nH]c(C#N)c1 1389067945 PMBPXJJHBSAOSI-KCJUWKMLSA-N 310.379 -0.155 30 20 DBED Cc1nc(CC(=O)N[C@]2(C)CCN(C(=O)[C@H](C)C#N)C2)n[nH]1 1390209074 MTOGWOWEELTECX-YMTOWFKASA-N 304.354 -0.078 30 20 DBED CCc1cc(C(=O)NC[C@@H](O)CNC(=O)[C@@H](C)C#N)c(C)nn1 1392148393 WLELXTGOAROLEL-CABZTGNLSA-N 319.365 -0.286 30 20 DBED COC(=O)NCC(=O)N1CCC2(C1)CN(C(=O)[C@H](C)C#N)C2 1396274401 GAFYGVURIQJKHL-SNVBAGLBSA-N 308.338 -0.437 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CCN(C(=O)Cn2ccccc2=O)C1 1397647017 ADEDOUSEEHPEBG-QWHCGFSZSA-N 316.361 -0.027 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)CCc2cnn(C)c2)C1 1406386203 WKWOBPMRWITYQU-UHTWSYAYSA-N 319.365 -0.800 30 20 DBED CN(CCNC(=O)c1cn(C)nn1)C(=O)c1c[nH]c(C#N)c1 1408561613 RJYKJJBFEGXISP-UHFFFAOYSA-N 301.310 -0.483 30 20 DBED CC(C)CS(=O)(=O)CC(=O)NCCN(C)C(=O)[C@@H](C)C#N 1408619051 UQXQYMJLFKHBLU-NSHDSACASA-N 317.411 -0.209 30 20 DBED CCN1CCOC[C@H]1C(=O)NCCN(C(=O)[C@H](C)C#N)C1CC1 1408925428 RQCZXHHHLYZEEK-OCCSQVGLSA-N 322.409 -0.026 30 20 DBED C[C@H](CNC(=O)c1cccn2c(O)nnc12)NC(=O)[C@H](C)C#N 1410279861 SVCIWEXQSAVHNA-RKDXNWHRSA-N 316.321 -0.171 30 20 DBED N#Cc1c[nH]c(C(=O)N2C[C@H](O)[C@H](NC(=O)CCCF)C2)c1 1414052894 BRXUARFJOVKITD-NEPJUHHUSA-N 308.313 -0.062 30 20 DBED C[C@@H](C#N)C(=O)N(C)C[C@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1 1415940471 UQGVVYZDUZNGDS-WDEREUQCSA-N 317.349 -0.150 30 20 DBED C[C@H](C#N)C(=O)NCC1CN(C(=O)[C@@H]2CCCN2C(N)=O)C1 1416119117 IJHHHRDBGWLPLX-KOLCDFICSA-N 307.354 -0.736 30 20 DBED Cc1cc(C#N)nc(N(C)CCNC(=O)Cc2nc[nH]n2)n1 1418029234 GDKGFZHOXVWJBC-UHFFFAOYSA-N 300.326 -0.430 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CN(C)C(=O)c1ncccc1F 1425867609 ZWJBAMWBHOJACB-VHSXEESVSA-N 308.313 -0.071 30 20 DBED CCN(CCC#N)C(=O)CN1CC[C@](O)(CNC(=O)C2CC2)C1 1439973120 ILUQQTVMJPHARW-INIZCTEOSA-N 322.409 -0.288 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CCN(C(=O)c2ccc3nnnn3c2)C1 1446555204 YSENKIQDPUGBLK-GXSJLCMTSA-N 313.321 -0.385 30 20 DBED C[C@@H](C#N)C(=O)NC1CC(N(C)C(=O)c2c[nH]c(=O)cn2)C1 1452255726 OXBHOTNVBHQMNE-IDKOKCKLSA-N 303.322 -0.351 30 20 DBED CC(=O)N(C)CC(=O)N1CC[C@@H](CN(C)C(=O)[C@@H](C)C#N)C1 1456082450 VGYZRLFCNFYPDT-AAEUAGOBSA-N 308.382 -0.069 30 20 DBED C=C(Cl)CNC[C@@H](O)CNC(=O)c1ccc(OC)nn1 1482783764 VQWXYJICAMVFSQ-SECBINFHSA-N 300.746 -0.082 30 20 DBED C[C@H](CNC(=O)c1cc(C#N)c[nH]1)N(C)CCN1CCNC1=O 1485286932 ADLGIKAJABPJCR-LLVKDONJSA-N 318.381 -0.038 30 20 DBED CC(=O)N[C@H](C)C(=O)N(C)[C@H](C)CNC(=O)c1cc(C#N)c[nH]1 1486835237 NUMYOVHACMUZAL-NXEZZACHSA-N 319.365 -0.012 30 20 DBED CCCC[C@@H](NC(N)=O)C(=O)N1CC(NC(=O)[C@@H](C)C#N)C1 1498384074 SBKNUAPSORHRKG-GXSJLCMTSA-N 309.370 -0.300 30 20 DBED Cn1nccc1[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCN(O)C1=O 1553140435 AMJZVLAZRXSYHN-CKYFFXLPSA-N 308.338 -0.006 30 20 DBED Cc1onc(CC(=O)N[C@@H]2CN(C(=O)O)C[C@H]2CO)c1C#N 1574207981 JXWIABISSOPDOU-GZMMTYOYSA-N 308.294 -0.516 30 20 DBED C#CCN(CC)c1nnc(-c2cnccn2)n1CC1(N)COC1 1574659872 FZTSOTFHJXVUDY-UHFFFAOYSA-N 313.365 -0.078 30 20 DBED C[C@]1(NC(=O)C2CC3(CNC[C@@H]3C#N)C2)CCS(=O)(=O)C1 1576535235 PFKKCVCCPFCVSJ-QGPNDVEFSA-N 311.407 -0.181 30 20 DBED CO[C@@H](CNc1cnc(-c2nn[nH]n2)c(C#N)n1)[C@@H]1CCOC1 1579595097 WNSAZWNFYGDLEU-SCZZXKLOSA-N 316.325 -0.008 30 20 DBED C#CC[C@@H](COC)NC(=O)CNc1ccc(-c2nn[nH]n2)cn1 1588334482 YLIPMIUHZUKNEZ-NSHDSACASA-N 315.337 -0.172 30 20 DBED C=C(C)CCNC[C@H](O)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 1588424911 QGLZDBFOPKKCRN-JTQLQIEISA-N 319.369 -0.159 30 20 DBED CNS(=O)(=O)c1ccc(C(=O)N(CC#N)CCC(=O)O)o1 1598674563 KGTDKQVIQJWVAA-UHFFFAOYSA-N 315.307 -0.372 30 20 DBED C[C@@H]1CN(C(=O)C(=O)N2CCO[C@](C)(C#N)C2)C[C@H]1CC(=O)O 1599849916 GJVMKRRZQPINJW-UEKVPHQBSA-N 323.349 -0.303 30 20 DBED N#CCCNC(=O)C(=O)Nc1ccc(C(=O)NCC(=O)O)cc1 1601068125 HQHVOGDEPCOLDQ-UHFFFAOYSA-N 318.289 -0.531 30 20 DBED C=CCN1CC[C@@H](N(C)c2cc(-c3nn[nH]n3)cnn2)C1=O 1602863028 PTNHVPHONLNWBC-SNVBAGLBSA-N 300.326 -0.120 30 20 DBED CC#CCNCc1cn(CC(=O)N2CCC(C(=O)O)CC2)nn1 1602949963 XMPBDMXLKSZTPS-UHFFFAOYSA-N 319.365 -0.286 30 20 DBED N#Cc1ccc(S(=O)(=O)N[C@]2(CC(=O)O)CCOC2)cn1 1608211065 ZSFFPAWXPDOZPT-LBPRGKRZSA-N 311.319 -0.135 30 20 DBED C=CCNC(=O)CN[C@H]1C[C@H](NC(=O)CN2CCCCC2=O)C1 1752639213 IRBLDEGQNSHMOP-JOCQHMNTSA-N 322.409 -0.462 30 20 DBED Cc1ncc(C(=O)N(C)[C@@H]2CCN(CC(=O)NCC#N)C2)n1C 1753441868 QNNSFKXJUVMJRR-GFCCVEGCSA-N 318.381 -0.485 30 20 DBED C#CCN1CCO[C@H](CNC(=O)[C@H](NC(N)=O)C(C)(C)C)C1 1753655622 DEECIKZKXMXOJI-NEPJUHHUSA-N 310.398 -0.480 30 20 DBED CCNC(=O)CC(=O)N1CC[C@@H](NCC(=O)NCC#N)C[C@@H]1C 1754593546 PIMPABOWFQQUMF-NWDGAFQWSA-N 323.397 -0.879 30 20 DBED C#CCNC(=O)CNCCN(CCO)C(=O)[C@H]1CCC[C@@H](C)C1 1754890393 QHJCARDXZXNDDP-CABCVRRESA-N 323.437 -0.027 30 20 DBED CCCNC(=O)CN1CC2(C[C@@H](NC(=O)C#CC3CC3)CO2)C1 1755060760 AQILCFPHGIKNNZ-CQSZACIVSA-N 319.405 -0.115 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)[C@@H](CC)NC(C)=O)CO2)C1 1755063663 NCUCDFNUDHYPGW-ZIAGYGMSSA-N 307.394 -0.116 30 20 DBED COCC#CCN1CC([C@@H](C)NC(=O)C(C)(C)NC(C)=O)C1 1755387659 OOVVAKXKNKSLON-GFCCVEGCSA-N 309.410 -0.013 30 20 DBED CCOCCC(=O)NCC1[C@H]2CN(CC(=O)NCC#N)C[C@H]12 1755418835 ZQMYAHPDCJXQBJ-CHWSQXEVSA-N 308.382 -0.653 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@@H](O)CN(C)C(=O)c1ccccn1 1755771689 QLKBADXDFININJ-CHWSQXEVSA-N 318.377 -0.758 30 20 DBED C#CCNC(=O)CN1CC=C(CNC(=O)Cn2ccnc2)CC1 1755899121 ISOQHBKCGXVZED-UHFFFAOYSA-N 315.377 -0.619 30 20 DBED C=CCCOCC(=O)N(C)[C@H](C)CNC(=O)c1cnn(C)n1 1756045078 ACBSLYTUCBIPEM-LLVKDONJSA-N 309.370 -0.016 30 20 DBED C#CCCCC(=O)N[C@H](C)C1CN(C(=O)CCNC(N)=O)C1 1756140655 OFCHRKUWAVCUHT-LLVKDONJSA-N 308.382 -0.189 30 20 DBED C=CCOCC(=O)N1CC=C(CNC(=O)[C@@H]2COC(=O)N2)CC1 1756767372 GZYYSKYTYKTERG-LBPRGKRZSA-N 323.349 -0.428 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H]1CN(C)C(=O)COC(C)C 1757279225 UFKMKCCQCYMXCQ-ZDUSSCGKSA-N 323.393 -0.390 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N1CCC[C@@](O)(C(=O)O)C1 1776215369 PJDMRXZGYZCXKZ-KOLCDFICSA-N 305.356 -0.766 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(CC)[nH]n1)C2 1800451895 MKVNBAGXORFQCN-QHBPRCKVSA-N 316.361 -0.192 30 20 DBED C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](O)NC(=O)OCC)C2 1801599723 LOXGOJZZLYERTL-MIJXAVMKSA-N 323.349 -0.678 30 20 DBED CCC(=O)C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834767184 MZSBUNJYKXLGTH-OAHLLOKOSA-N 323.349 -0.664 30 20 DBED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)=O)C2)C1 1840841331 QNMXQTYMYVVBSA-INIZCTEOSA-N 322.361 -0.555 30 20 DBED C[C@H](NC=O)C(=O)N1CC2(CCCN2C(=O)C(C)(C)C#N)C1 1841138135 NBSUVRWMHMZACZ-NSHDSACASA-N 306.366 -0.126 30 20 DBED Cn1cncc1C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1842491891 PJRQKSKLCMIARE-UHFFFAOYSA-N 316.317 -0.675 30 20 DBED COCCN(CC(=O)N[C@@](C)(C#N)C1CC1)CC(=O)N(C)C 51921094 ZGHQBDDTUXKPSD-HNNXBMFYSA-N 310.398 -0.169 30 20 DBED C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N(C)[C@H](C)CC#N 87298525 YWRAZNYQYVAQKR-ZJUUUORDSA-N 313.383 -0.153 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(CC(=O)N[C@H](C)CC)CC1 124286278 PLBOSJROQINSMY-ZIAGYGMSSA-N 308.426 -0.343 30 20 DBED N/C(=N/CCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)N1CCOCC1 151283608 UPEZZDSSVAZKQH-CYDGBPFRSA-N 318.377 -0.560 30 20 DBED CC(=O)N1CCN(C(=O)Cn2ccc(C)c(C#N)c2=O)CC1 163834341 NWKKYJSFEIQAOO-UHFFFAOYSA-N 302.334 -0.281 30 20 DBED C#CCNC(=O)c1ccc(N2CCN(C(=O)[C@@H](C)O)CC2)nc1 270761580 DIBOFWQUZVEGFN-GFCCVEGCSA-N 316.361 -0.526 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1CC[C@@H](NC(=O)NC2CC2)C1 274120619 AMDBDKMXGTZKHB-CMPLNLGQSA-N 323.397 -0.077 30 20 DBED C[C@H](CO)N(CC1CCC1)c1c(C#N)c(=O)n(C)c(=O)n1C 280667424 CDTNONSAOFXTEO-SNVBAGLBSA-N 306.366 -0.057 30 20 DBED N#Cc1ccc(S(=O)(=O)CCN2CC(=O)N(C3CC3)C2)nc1 289367551 HYLKATOCPNSOBR-UHFFFAOYSA-N 320.374 -0.009 30 20 DBED CCOC(=O)COCCNS(=O)(=O)c1cccnc1C#N 295410562 HQQSQYPKINFXPZ-UHFFFAOYSA-N 313.335 -0.189 30 20 DBED CCCN1CCCN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC1=O 302763742 LAJCUYBOGBFPFQ-UHFFFAOYSA-N 319.365 -0.596 30 20 DBED Cc1ncc(S(=O)(=O)N2CCCN(CCO)CC2)cc1C#N 320007692 VDCNSVMDSFEHTI-UHFFFAOYSA-N 324.406 -0.050 30 20 DBED NS(=O)(=O)[C@@H]1CCN(/C(O)=N/CCOCC(F)F)C1 330375877 OHNLGCZSESGMFT-SSDOTTSWSA-N 301.315 -0.455 30 20 DBED COC[C@@H](C)/N=C(/O)NC(=O)CN1CCNC(=O)C1(C)C 330643731 DKEIBXBFDQJLBL-SECBINFHSA-N 300.359 -0.738 30 20 DBED CC[C@H](C)N(C)CC/N=C(/O)N1CC[C@@H](S(N)(=O)=O)C1 331302058 XCNFTZYRPVPZGO-WDEREUQCSA-N 306.432 -0.007 30 20 DBED CCc1nc([C@H](C)NS(=O)(=O)N2CCO[C@@H](C#N)C2)n[nH]1 336933987 DMHZRESRSKOLQW-IUCAKERBSA-N 314.371 -0.513 30 20 DBED COCCN(CCC#N)S(=O)(=O)NCCC[S@@](C)=O 337105101 ZAVJXOJNHSXTQF-GOSISDBHSA-N 311.429 -0.549 30 20 DBED CS(=O)(=O)N1CCC(CNS(=O)(=O)CCCC#N)CC1 338229353 FQWZFNIARKGFSL-UHFFFAOYSA-N 323.440 -0.119 30 20 DBED C[C@@H](NC(=O)C1CCCC1)C(=O)NCCn1cnc(C#N)n1 342867182 GOALSJBXHAVYIA-SNVBAGLBSA-N 304.354 -0.039 30 20 DBED CCOC(=O)[C@H]1CCCN(C(=O)Cn2cncc(C#N)c2=O)C1 351774420 NXSLGONCIULSRO-NSHDSACASA-N 318.333 -0.083 30 20 DBED N#C[C@H]1CN(C(=O)CNS(=O)(=O)c2ccccc2)CCO1 354244145 NXKGKDHWEDKGLG-NSHDSACASA-N 309.347 -0.284 30 20 DBED N#CCNC(=O)CNC(=O)C(=O)Nc1ccc(F)c(F)c1F 357291718 QGMJCULYKCMRIZ-UHFFFAOYSA-N 314.223 -0.202 30 20 DBED C[C@H](CC#N)NC(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 360039418 QNYRTWXSGFVGRT-LLVKDONJSA-N 320.353 0.166 30 20 DBED C#CCNC(=O)CCN1CC[S@](=O)C[C@H]1c1cnn(C)c1 491165713 MYBKMJHDDRUQAK-ZSEKCTLFSA-N 308.407 -0.335 30 20 DBED N#C[C@@]1(F)CCN(C(=O)CNS(=O)(=O)c2cccnc2)C1 589492528 SIHNDWXDHXTOQW-LBPRGKRZSA-N 312.326 -0.176 30 20 DBED N#C[C@]1(F)CCN(C(=O)[C@@H]2CCCN(S(N)(=O)=O)C2)C1 597555090 YWNMHJJFDZJJIT-MWLCHTKSSA-N 304.347 -0.634 30 20 DBED COC(=O)[C@](C)(CO)NC[C@H](O)COc1ccccc1C#N 599438852 YXYOHGFYFZXQRE-WFASDCNBSA-N 308.334 -0.188 30 20 DBED Cc1cnn(C[C@H]2CN(C(=O)Cn3cnc(C#N)n3)CCO2)c1 610884225 UIFZFVCNRDQISE-GFCCVEGCSA-N 315.337 -0.418 30 20 DBED C=C(Br)CNC(=O)c1cn(C)c(=O)n(C)c1=O 735038732 FEVSDQXPBPBDBE-UHFFFAOYSA-N 302.128 -0.278 30 20 DBED N#CCN(CC(=O)O)C(=O)Cn1cnc2ccccc2c1=O 739078771 MMRWEKSTZAYICW-UHFFFAOYSA-N 300.274 -0.167 30 20 DBED N#Cc1ccc([C@H](NCCN2C(=O)CNC2=O)C(=O)O)cc1 739107519 RNMIONZINDTJRN-LBPRGKRZSA-N 302.290 -0.175 30 20 DBED C#CCOc1cc(F)ccc1NC(=O)C(=O)N(C)CC(N)=O 743892378 AUHBRTATNKQPLA-UHFFFAOYSA-N 307.281 -0.280 30 20 DBED C=C(Br)CN1C(=O)[C@H]2CN(C(N)=O)CCN2C1=O 748693129 IIPPQYSJYFRREY-SSDOTTSWSA-N 317.143 -0.078 30 20 DBED C#CCNS(=O)(=O)N1CCN(CCn2ccnc2C)CC1 766244145 CPWYVFPVKFRZPD-UHFFFAOYSA-N 311.411 -0.723 30 20 DBED N#Cc1ncn(CC(=O)NC[C@@H](O)COc2cccc(F)c2)n1 769298675 SEOWRMZLHUFXRI-LLVKDONJSA-N 319.296 -0.155 30 20 DBED C#CCNS(=O)(=O)c1cccc(C(=O)O[C@H]2CCNC2=O)c1 769966430 HTDUPQVPXFWZJM-LBPRGKRZSA-N 322.342 -0.357 30 20 DBED CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)OCC(=O)NCC#N 770116065 RTCOBUPSJZGLKC-SECBINFHSA-N 305.356 -0.867 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)CNc1ccc(C(N)=O)cc1 786269830 IVYYGFXNXOGZGH-JTQLQIEISA-N 303.318 -0.122 30 20 DBED CNC(=O)CNC(=S)NN=Cc1cc(C(=O)OC)n(C)c1 790161883 NVFYLFNDSCGYLI-UHFFFAOYSA-N 311.367 -0.644 30 20 DBED Cn1c(COC(=O)[C@](C)(C#N)CC(=O)O)cc(=O)n(C)c1=O 821277497 JJKWTZJERVFTDU-ZDUSSCGKSA-N 309.278 -0.868 30 20 DBED C#CCNC(=O)COC(=O)Cn1nnnc1-c1ccsc1 829624778 QEMQROGLCZUKKQ-UHFFFAOYSA-N 305.319 -0.306 30 20 DBED CCC1(CC)NC(=O)N(CC(=O)N[C@@H]2CNC[C@@H]2C#N)C1=O 834517804 ZIPNFLAZQQVYIR-VHSXEESVSA-N 307.354 -0.675 30 20 DBED C=CCNC(=O)COC(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1 859897771 KGUHHVITDTYNBK-JTQLQIEISA-N 306.322 -0.382 30 20 DBED C#CC1(O)CN(CC(=O)NC2CCN(C(=O)OCC)CC2)C1 934445003 SWFLYMGRAHFFFC-UHFFFAOYSA-N 309.366 -0.597 30 20 DBED CN(C(=O)[C@H]1CCC(=O)NC1)[C@H]1CCN(C(=O)C#CC2CC2)C1 937350581 WYPUPXBWBQTUHW-KBPBESRZSA-N 317.389 -0.015 30 20 DBED Cn1cnc(C(=O)N[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)n1 940274441 VOWJHIHXGAIGIY-SNVBAGLBSA-N 313.321 -0.341 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CCN(C(=O)COC)CC1 943566248 NBUOSTZETNXKPT-AWEZNQCLSA-N 307.394 -0.162 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H]1CNC(=O)c1cn(C)c(=O)n1C 944253479 RKPRGFJYJWGAHX-GHMZBOCLSA-N 319.365 -0.396 30 20 DBED C[C@H]1CN(CC#N)CC[C@H]1NC(=O)c1nccnc1C(N)=O 944812284 SUTUBIQISZOPHS-VHSXEESVSA-N 302.338 -0.461 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@@H]3CN(C(=O)C(N)=O)CC[C@H]32)[nH]1 946025030 LYLGCVJVRXAULC-BXKDBHETSA-N 315.333 -0.565 30 20 DBED C[C@H]1C[C@@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)CCN1CC#N 947895729 QXPPZERDDGRMOC-QWRGUYRKSA-N 321.381 -0.191 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)C[C@H]1C 947930724 UQGVLRBFHISAPG-GHMZBOCLSA-N 314.349 -0.367 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CNC(=O)[C@@H]2CN(C)C(=O)N2)CC1 949394446 RTHGMBGEBCZIEB-JQWIXIFHSA-N 321.381 -0.476 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]1CNC(=O)c1cc(C(N)=O)cn1C 951308258 ZMCVWKNEPSDTKJ-ONGXEEELSA-N 317.349 -0.386 30 20 DBED CC(C)N1CCO[C@H](C(=O)N(C)C2CN(C(=O)[C@@H](C)C#N)C2)C1 955078842 OHJULTSAKUBNOG-JSGCOSHPSA-N 322.409 -0.076 30 20 DBED CC#CCN1C[C@@H](O)[C@@H](CNC(=O)c2ccc(C(N)=O)cn2)C1 958744235 JRZSISBGDGZXNS-GXTWGEPZSA-N 316.361 -0.774 30 20 DBED CCn1nncc1C(=O)N(C)[C@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1O 958838499 RTCDBDPSXLCQSM-USWWRNFRSA-N 320.353 -0.899 30 20 DBED C=C(C)CN1C[C@H]2[C@H](NC(=O)Cn3ccc(=O)n(C)c3=O)[C@H]2C1 960178242 XMEBGESFHKQUKH-JYAVWHMHSA-N 318.377 -0.831 30 20 DBED C=C(C)CN1C[C@H]2[C@H](NC(=O)CN3CCCS3(=O)=O)[C@H]2C1 960188530 ZRGKWSDNGCYPOU-IMRBUKKESA-N 313.423 -0.356 30 20 DBED C#CCN1C[C@H]2[C@H](NC(=O)c3ccccc3OCC(N)=O)[C@H]2C1 960928185 HAKNWCKMFFIFGB-VIKVFOODSA-N 313.357 -0.156 30 20 DBED CC(C)[C@@H](O)C(=O)N1CCOC2(CN(C(=O)[C@H](C)C#N)C2)C1 965368514 DYZZLUDMSATVGU-VXGBXAGGSA-N 309.366 -0.397 30 20 DBED C=C1CC(C)(C(=O)N2CC3(C[C@H](NC(=O)C(N)=O)CO3)C2)C1 965789639 KUTJPFAIRKWBGL-JTQLQIEISA-N 307.350 -0.686 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)CS(C)(=O)=O 968622061 JOCVIADCCDUWLX-GARJFASQSA-N 313.379 -0.608 30 20 DBED C[C@H](NC(=O)c1c[nH]c(C#N)c1)C1CN(Cc2nc(O)n[nH]2)C1 969527136 USBIZUASAVBMJP-QMMMGPOBSA-N 315.337 -0.040 30 20 DBED C=C[C@](C)(CC)C(=O)N1C[C@H](O)[C@H](NC(=O)c2cnon2)C1 969997956 ZFQHQIMJRXQDHH-UHIISALHSA-N 308.338 -0.027 30 20 DBED CCc1ncoc1C(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1O 970408187 DMWVOGVBXMUUKI-GDPRMGEGSA-N 306.322 -0.302 30 20 DBED C=C(C)CN[C@@H]1CCN(C(=O)CN2CCS(=O)(=O)CC2)C1 970702886 MWECBEZZARFMOZ-CYBMUJFWSA-N 315.439 -0.517 30 20 DBED C=CCCN1CC([C@@H](C)NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 970892799 SEKLMYAAUOVIQZ-PWSUYJOCSA-N 301.412 -0.309 30 20 DBED CC(=O)N1CCO[C@H](C(=O)NCC2[C@H]3CN(CC#N)C[C@H]23)C1 979019787 ZIRBGQCFWLWOFF-MCIONIFRSA-N 306.366 -0.949 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)c3cn(C)nn3)C[C@@H]2C1 986049405 ADIAKJHPCAAPLL-TUAOUCFPSA-N 316.365 -0.105 30 20 DBED N#CCN1CC[C@@]2(NC(=O)[C@@H]3CC(=O)NC(=O)N3)CCC[C@H]12 992254372 APDACDVKZMKAOQ-BHDSKKPTSA-N 305.338 -0.779 30 20 DBED N#CCN1CC[C@]2(NC(=O)[C@@H]3CCS(=O)(=O)N3)CCC[C@@H]12 992498809 MJMUQPJWQNVNCQ-DMDPSCGWSA-N 312.395 -0.685 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)[C@@H](C2CC2)N2CCOCC2)C1 992641727 JLFMOFCTHLEUTN-SMDDNHRTSA-N 320.393 -0.416 30 20 DBED N#CCN[C@@H]1CCC[C@H]2CN(C(=O)Cn3cnnc3O)C[C@H]21 992699355 SUOHJWHNWCCPBL-QJPTWQEYSA-N 304.354 -0.276 30 20 DBED C=CCN[C@@H]1CN(C(=O)c2cn(C)c(=O)n(C)c2=O)CC1(C)C 996372039 AVQVEBXSYLUGKN-GFCCVEGCSA-N 320.393 -0.290 30 20 DBED CN(C(=O)c1ccc(C#N)[nH]1)C1CC(N[C@H]2CCNC2=O)C1 998646956 UPUWTSUYQNLNGU-MCIGGMRASA-N 301.350 -0.033 30 20 DBED CCC(=O)N1CC[C@@H](C(=O)NC2CN(C(=O)[C@H](C)C#N)C2)C1 999685192 JNIGBNNFUAXCHB-GHMZBOCLSA-N 306.366 -0.268 30 20 DBED C#CCN1CC[C@@H](n2cc(CNC(=O)c3cnon3)nn2)C1 1000035891 NANDGPTXGHNAEV-LLVKDONJSA-N 301.310 -0.529 30 20 DBED C#Cc1cncc(C(=O)N2CC(NC(=O)Cc3cnc[nH]3)C2)c1 1000569860 SEBTVVFKTXSCJW-UHFFFAOYSA-N 309.329 -0.031 30 20 DBED COCC(=O)N1C[C@@H]2C[C@@H]3CN(C(=O)[C@H](C)C#N)C[C@]2(C1)O3 1001573520 WTVSVWSFMHIKHJ-ZAZJYDDPSA-N 307.350 -0.379 30 20 DBED C#Cc1ccc(C(=O)N2CC(CNC(=O)c3cnn[nH]3)C2)nc1 1003115999 XAVHPIFGEMLBMJ-UHFFFAOYSA-N 310.317 -0.317 30 20 DBED C[C@H](NC(=O)c1cncnc1O)C1CN(C(=O)[C@H](C)C#N)C1 1006299157 MMDQUGVZRFTRLB-BDAKNGLRSA-N 303.322 -0.081 30 20 DBED N#Cc1cc(C(=O)N[C@H]2CCN([C@@H]3CCCNC3=O)C2)c[nH]1 1010685860 AYGXYUSFODJJOC-WCQYABFASA-N 301.350 -0.031 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2CCN(Cc3nc(O)n[nH]3)C2)c1 1015678435 IAYQCFCOVQSCKO-GFCCVEGCSA-N 312.333 -0.109 30 20 DBED Cc1cc2[nH]c(=O)c(C(=O)N[C@H]3CCN(CC#N)C3)cn2n1 1015844554 VKTFQRPLSKKDJY-JTQLQIEISA-N 300.322 -0.341 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)C1 1015948001 RTFQSSCCQFRDKT-LLVKDONJSA-N 306.366 -0.469 30 20 DBED C[C@H]1[C@@H](NC(=O)C2CS(=O)(=O)C2)CCN1C(=O)[C@H](C)C#N 1020536903 GPUUUZPSPHQUHT-YWVKMMECSA-N 313.379 -0.704 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H](CNCc2nc(=O)n(C)[nH]2)C1 1023892978 COBXGJRDQFBWPE-GHMZBOCLSA-N 306.370 -0.404 30 20 DBED C#CCN(C)[C@H]1CCCN(C(=O)CN2CC(=O)N(C)C2=O)C1 1027647426 HKLYDJIXGQFDOT-LBPRGKRZSA-N 306.366 -0.564 30 20 DBED C=CCN1CC[C@@H](N(C)C[C@@H]2CCN(C(=O)C(N)=O)C2)C1=O 1029823081 PPNFBWWWUPAQNE-NWDGAFQWSA-N 308.382 -0.961 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN(Cc2cnn(C)c2)C1 1030462195 LAKGADFDAFFTFG-HNNXBMFYSA-N 301.394 -0.182 30 20 DBED C=CCN1CC[C@H](N2CC(CNC(=O)c3cncn3C)C2)C1=O 1031819153 MIOJZIDEXPLVHD-ZDUSSCGKSA-N 317.393 -0.131 30 20 DBED Cn1nnc(CN2C[C@@H]3C[C@H]2CN3C(=O)c2c[nH]c(C#N)c2)n1 1032362867 XLXTUSARTINLBC-RYUDHWBXSA-N 312.337 -0.491 30 20 DBED C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1 1032625016 DICXEWCXAAHVBO-ZQDZILKHSA-N 319.405 -0.069 30 20 DBED C#CCN[C@H]1CC[C@H](NC(=O)CN2CCC(=O)NC2=O)CC1 1034770655 JADAUNGQIOEUDV-HAQNSBGRSA-N 306.366 -0.422 30 20 DBED N#Cc1cc(C(=O)N2CCC[C@@H]2CN[C@@H]2CCNC2=O)c[nH]1 1034911393 APWBRGZSLJUTDJ-CHWSQXEVSA-N 301.350 -0.031 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CN(CC(N)=O)CCO1 1035371308 ZQMRUXFCJRYELR-UPJWGTAASA-N 311.382 -0.730 30 20 DBED N#CCN1CCO[C@H](CNC(=O)[C@H]2CCCS(=O)(=O)C2)C1 1035532523 YOHZQDNGDVTYCS-NWDGAFQWSA-N 315.395 -0.848 30 20 DBED C[C@@H]1CN(C(=O)CCn2cc[nH]c(=O)c2=O)CC[C@@H]1NCC#N 1036216506 CWVVJKAFSQBAQN-NEPJUHHUSA-N 319.365 -0.723 30 20 DBED C=C(C)CN1CC[C@@H]1CNC(=O)c1cc(=O)n2[nH]cnc2n1 1038922145 PFBSSEQZNPOZJW-SNVBAGLBSA-N 302.338 -0.202 30 20 DBED C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1ncn(C)c1=O 1039396144 BZDGREADZYUDBI-KGLIPLIRSA-N 317.393 -0.330 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC[C@](O)(CNC(=O)c2ncc[nH]2)C1 1039659615 DHABLNILFNPDCM-CABCVRRESA-N 322.365 -0.570 30 20 DBED Cc1cc(C#N)nc(N2C[C@@H]3CCN(C(=O)CC(N)=O)[C@@H]3C2)n1 1040549299 FKGHPNLQVRZPNJ-CMPLNLGQSA-N 314.349 -0.431 30 20 DBED Cc1nnccc1C(=O)N1CC[C@](O)(CNC(=O)[C@@H](C)C#N)C1 1040764832 ZKSIBEJQVSJMGG-BONVTDFDSA-N 317.349 -0.362 30 20 DBED N#Cc1nccnc1N1C[C@@H](O)[C@H](NC(=O)Cc2ccon2)C1 1040959407 ZXMRNMLBDCAJBI-VXGBXAGGSA-N 314.305 -0.755 30 20 DBED C=CCn1cc(C(=O)N2CC(O)(CNC(=O)[C@@H]3C[C@@H]3C)C2)nn1 1041293353 ZKXLOECEHUIEQW-WDEREUQCSA-N 319.365 -0.577 30 20 DBED C=CCCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)COCC)C1 1041874647 URDICPNDOHCTOW-LBPRGKRZSA-N 314.382 -0.306 30 20 DBED C=CCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@@H]2C(=O)OC)C1 1041984503 MZGPMWLBQJETOE-NEPJUHHUSA-N 324.377 -0.159 30 20 DBED C#CCCN1CC[C@@H]2CCN(C(=O)CN3CCOCC3=O)C[C@@H]21 1042098220 NYSHIDPFSMRNFK-CABCVRRESA-N 319.405 -0.209 30 20 DBED C[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1NC(=O)[C@@H]1CNC(=O)N1 1042461090 FAUSLVRULRESHA-ADEWGFFLSA-N 314.349 -0.424 30 20 DBED O=C(C#CC1CC1)NCC1(O)CN(C(=O)C[C@H]2COC(=O)C2)C1 1042957997 DANPXFVWCYGXFM-GFCCVEGCSA-N 320.345 -0.958 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)CC(F)(F)F)C1 1043033456 ZOYJBQRZBVYERA-UHFFFAOYSA-N 322.283 -0.332 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)C2(C3CC3)CC2)C1 1043042721 VCFQEUFGAXZLFQ-LBPRGKRZSA-N 320.389 -0.096 30 20 DBED C[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1Nc1cncc(C#N)n1 1043086999 ZHBXFJNJKQKNJK-MWLCHTKSSA-N 323.378 -0.348 30 20 DBED Cc1nc(O)[nH]c1C(=O)NCC1(O)CN(C(=O)C#CC(C)C)C1 1043485023 HJDZPWZRPRLSKW-UHFFFAOYSA-N 320.349 -0.614 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)[C@H]2C[C@H]3C=C[C@H]2O3)C1 1043617044 HTCDGYHWRMATFX-FRRDWIJNSA-N 322.361 -0.778 30 20 DBED Cn1cccc1C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@@H]1O 1043865641 RUXNCPVVWFIULG-YPMHNXCESA-N 312.333 -0.334 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)Cc2nonc2C)C1 1044460841 ZFPCHRNPXKEXSZ-UHFFFAOYSA-N 322.365 -0.178 30 20 DBED Cc1cnccc1C(=O)N1CC(O)(CNC(=O)[C@H](C)C#N)C1 1045539975 BMMRETPQXOCHED-SNVBAGLBSA-N 302.334 -0.147 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)[C@@H](C)c2ccnn2C)C1 1045558921 CPVJPLPDCXBFGS-QWRGUYRKSA-N 319.365 -0.627 30 20 DBED N#CCN1CCC2(CC1)CO[C@H](CNC(=O)[C@H]1CNC(=O)N1)C2 1045678686 ZMFLSCCBZBIWLB-NWDGAFQWSA-N 321.381 -0.821 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)c2cn(C)c(O)n2)C1 1045734476 GNOHHTFLMRRXDI-UHFFFAOYSA-N 320.349 -0.912 30 20 DBED C#CCN1[C@H]2CC[C@H]1CN(C(=O)Cn1ccc(O)nc1=O)CC2 1045810485 WOBMSORXJIUROV-STQMWFEESA-N 316.361 -0.353 30 20 DBED C#CCN1CC[C@@H](N2CCN(C(=O)Cc3nonc3C)CC2)C1 1046073701 JYQCHTAZHIXMCS-CQSZACIVSA-N 317.393 -0.228 30 20 DBED N#Cc1nccnc1N[C@H]1C[C@H](CNC(=O)[C@@H]2COC(=O)N2)C1 1046808576 FRQJRZVESSFZFJ-QXEWZRGKSA-N 316.321 -0.237 30 20 DBED Cn1c(O)ncc(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)N(CC#N)C3)c1=O 1047125816 MQZCCNWNMWLQEM-AXFHLTTASA-N 317.349 -0.408 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC(=O)N(CC(C)C)C2)C1 1047401581 XYVMWIWRUKODNS-ILXRZTDVSA-N 321.421 -0.372 30 20 DBED C=C(C)CN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCCN2C(N)=O)C1 1047592379 MRGDPHPSTINCDD-IHRRRGAJSA-N 324.425 -0.001 30 20 DBED C=CCOCC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CCCO2)C[C@@H]1O 1048551619 MNSZPJGWJPMTBU-AVGNSLFASA-N 312.366 -0.602 30 20 DBED Cc1cnn(CC(=O)N2CC[C@@H](N3CCN(CC#N)CC3)C2)c1 1051993043 PJPZRHQKIJKBFG-OAHLLOKOSA-N 316.409 -0.066 30 20 DBED C#CCOCCC(=O)N1C[C@@H](C)[C@@H](CNC(=O)c2cnon2)C1 1052597735 AQWSTWBFXGJLFJ-NEPJUHHUSA-N 320.349 -0.066 30 20 DBED C=CCN1CC2(C1)CN(C(=O)[C@@H]1CN(C(C)=O)CCO1)CCO2 1053521792 HEJFBYOMMUUDMQ-AWEZNQCLSA-N 323.393 -0.667 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)Cc3ccc(O)nc3)CO2)C1 1053872855 KOKUVWLHAPKMRD-GFCCVEGCSA-N 302.334 -0.187 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)Cc3ccc(O)nc3)CO2)C1 1053872856 KOKUVWLHAPKMRD-LBPRGKRZSA-N 302.334 -0.187 30 20 DBED C=CCCN1CC2(C[C@H](NC(=O)Cn3c(O)nnc3O)CO2)C1 1053993848 VONIIVPXYRUMFY-JTQLQIEISA-N 323.353 -0.775 30 20 DBED N#Cc1ccc(N[C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)C(N)=O)C3)nn1 1054839405 IVSCAGOJQXOTMK-GDPRMGEGSA-N 300.322 -0.375 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@](CO)(NC(=O)c2cnn[nH]2)C1 1056003631 YOQWCYJUZCYHRB-NOZJJQNGSA-N 306.326 -0.952 30 20 DBED C[C@H](C#N)C(=O)N[C@]1(CO)CCCN(C(=O)c2ccon2)C1 1056092582 BRTDASOAHUJAKA-QMTHXVAHSA-N 306.322 -0.082 30 20 DBED C[C@@H](C#N)C(=O)N[C@@]1(CO)CCCN(C(=O)c2n[nH]cc2F)C1 1056096618 JMMPMIDCNSCZGJ-XPTSAGLGSA-N 323.328 -0.208 30 20 DBED Cn1nccc1CC(=O)NC1[C@@H]2CN(c3cnc(C#N)cn3)C[C@@H]12 1056174172 SKLVBEROGFRJEC-CHWSQXEVSA-N 323.360 -0.125 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)[C@@H]1CC[C@@H]1C(N)=O 1057445376 RYFLJDOJONEPQF-QWHCGFSZSA-N 323.393 -0.762 30 20 DBED C#CCOCCC(=O)N(CCO)CCNC(=O)c1n[nH]cc1C 1057581003 KHSWNHZRHLYVJB-UHFFFAOYSA-N 322.365 -0.691 30 20 DBED COCc1cc(C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N)no1 1057623420 PBFJQLKFPJVDJM-JTQLQIEISA-N 324.337 -0.469 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)[C@@H](C1CC1)N(C)C 1057876071 AIFFZLQAGXUYJT-MRXNPFEDSA-N 323.437 -0.077 30 20 DBED N#Cc1cnccc1N1CC[C@@H](NC(=O)Cn2cnnc2O)C1 1058320988 PYFXNQOIEITTKL-LLVKDONJSA-N 313.321 -0.355 30 20 DBED N#Cc1nccc(N2CCC3(CC2)C[C@H]3NC(=O)C(N)=O)n1 1058646002 VVALRMWBVGYXSZ-SECBINFHSA-N 300.322 -0.691 30 20 DBED COc1ccc(C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N)cn1 1058661503 YCXKSWZNTDDTLT-NSHDSACASA-N 320.349 -0.199 30 20 DBED Cc1cc(=N[C@@H]2CC[C@@H]3CN(C(=O)C(N)=O)C[C@H]32)c(C#N)c[nH]1 1060553438 PWVPAFVJDJWYOO-RAIGVLPGSA-N 313.361 -0.182 30 20 DBED N#Cc1nccnc1NC[C@@H]1CCN(C(=O)Cn2cnnn2)C1 1060803434 OAVODTGNQZKQCD-JTQLQIEISA-N 313.325 -0.705 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1COCCN1C(=O)c1cc[nH]n1 1061570029 REQKRERBJWNTFW-GFCCVEGCSA-N 302.334 -0.220 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H]1COCCN1C(=O)C#CC1CC1 1061585332 VIIMMFBZTFMNIL-UKRRQHHQSA-N 318.373 -0.218 30 20 DBED Cc1nnsc1C(=O)N1CCOC[C@H]1CNC(=O)[C@@H](C)C#N 1061845477 IEKLOWHENAFJHO-WCBMZHEXSA-N 323.378 -0.037 30 20 DBED C=CCC1(C(=O)NC[C@@H]2COCCN2C(=O)C(N)=O)CCC1 1061869979 BXTVHLBQXOXSFP-LLVKDONJSA-N 309.366 -0.438 30 20 DBED NC(=O)NCCC(=O)N1CCCC[C@@H]1CNC(=O)C#CC1CC1 1062206204 IALJQBQPKZUIOA-CYBMUJFWSA-N 320.393 -0.045 30 20 DBED C=CCCC(=O)N1CCO[C@@H](CNC(=O)CCn2cnnn2)C1 1064957842 QYHUZHLLRZAMLD-LBPRGKRZSA-N 322.369 -0.627 30 20 DBED N#Cc1nccnc1NC[C@@H]1CCCN1C(=O)[C@H]1CCNC1=O 1064984024 NRCDWARETVXSIT-QWRGUYRKSA-N 314.349 -0.113 30 20 DBED C=CCO[C@H](C)C(=O)NC[C@H]1CN(C(=O)c2ncc[nH]2)CCO1 1065124490 NZWUTMAXFACGRD-NEPJUHHUSA-N 322.365 -0.042 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCO[C@H](CNC(=O)c2cn[nH]c2)C1 1065151808 DLIXMWMATTUIQV-WCQYABFASA-N 320.349 -0.595 30 20 DBED C=CCCOCC(=O)N1CCO[C@@H](CNC(=O)c2cc[nH]n2)C1 1065279488 BHIKXASGXGYUMQ-LBPRGKRZSA-N 322.365 -0.040 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CN(C(=O)Cc2cncn2C)CCO1 1065373940 JVIGOEHJNIKEQB-YPMHNXCESA-N 319.365 -0.534 30 20 DBED CN(C(=O)c1cnn[nH]1)[C@H]1CN(c2ccncc2C#N)C[C@@H]1O 1065634963 FJYBEZONBDCANN-STQMWFEESA-N 313.321 -0.607 30 20 DBED N#Cc1ccc(NCC2CC(NC(=O)Cn3ncnn3)C2)nn1 1067866800 YPUPHNMNIRVEFI-UHFFFAOYSA-N 313.325 -0.658 30 20 DBED N#Cc1ccc(N2C[C@H]3CC[C@H]2CN3C(=O)Cn2cncn2)nn1 1068043537 DZFFTWFHXVRROS-QWHCGFSZSA-N 324.348 -0.180 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC2(CN(C(=O)COC)CCO2)C1 1068274056 VBHAQEORLHGDTG-CQSZACIVSA-N 312.366 -0.600 30 20 DBED C=CCCC(=O)N1CCOC2(C1)CN(C(=O)CC(=O)NCC)C2 1068346202 KLVHXXOBLSWQPG-UHFFFAOYSA-N 323.393 -0.081 30 20 DBED C[C@H]1C[C@H](N=c2cc[nH]c(C#N)n2)CN1C(=O)Cc1nc[nH]n1 1069143902 PJOSJJABWPRAIY-UWVGGRQHSA-N 312.337 -0.468 30 20 DBED C#CCCCC(=O)NCC1(NC(=O)CC(=O)NC)CCOCC1 1070086362 RYMPQFOBXUEOGN-UHFFFAOYSA-N 323.393 -0.292 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)Cc2nnc(C)o2)CC1 1070960912 BFXLMVBVIFGYBW-UHFFFAOYSA-N 319.365 -0.796 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(C(=O)c2cocn2)C[C@@H]1C 1071805002 JKZUANICLJLFML-WDEREUQCSA-N 318.333 -0.609 30 20 DBED C=CCOCC(=O)N[C@H]1CN(C(=O)C2(NC(N)=O)CC2)C[C@H]1C 1071926452 YBBXFQXILAACGN-MNOVXSKESA-N 324.381 -0.647 30 20 DBED C=CCCOCC(=O)N[C@H]1CN(C(=O)c2cnnn2C)C[C@H]1C 1072007547 SRUZYADXLXKCHV-NEPJUHHUSA-N 321.381 -0.016 30 20 DBED C#CCOCCC(=O)N1C[C@H](C)[C@@H](NC(=O)CCCC(N)=O)C1 1072094422 UDLKYVHSKTXUOT-STQMWFEESA-N 323.393 -0.355 30 20 DBED C[C@H]1CN(C(=O)COCCN(C)C)C[C@@H]1NC(=O)C#CC1CC1 1072433430 WEJXPGBEESNEEL-ZFWWWQNUSA-N 321.421 -0.059 30 20 DBED CC#CCN1CCO[C@H]2CCN(C(=O)CCn3ccnn3)C[C@H]21 1074225091 BITPXXXLMRCHSF-CABCVRRESA-N 317.393 -0.007 30 20 DBED O=C(C#CC1CC1)NCC1(O)CCN(C(=O)c2cc[nH]n2)CC1 1074488813 GYWFPGYSKAGGME-UHFFFAOYSA-N 316.361 -0.094 30 20 DBED C[C@H]1[C@@H](N[C@@H]2CCNC2=O)CCN1C(=O)c1ccc(C#N)[nH]1 1074609923 RJMIOPNETHEPIP-ZMLRMANQSA-N 301.350 -0.033 30 20 DBED C[C@H]1[C@@H](NCC#N)CCN1C(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1 1074875380 IQBSFJLOIQRDIL-ZDEQEGDKSA-N 308.382 -0.275 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)C1CCOCC1 1075318424 NSXQRDRYPGDHBW-LBPRGKRZSA-N 323.393 -0.437 30 20 DBED C=CCCOCC(=O)N[C@@H](C)CCNC(=O)CNC(N)=O 1075548084 MXTXYRJERVQDQY-JTQLQIEISA-N 300.359 -0.742 30 20 DBED C#CCOCCC(=O)N[C@@H](C)CCNC(=O)Cn1cnnc1O 1076227093 KNYMPFGKXNTYRE-NSHDSACASA-N 323.353 -0.965 30 20 DBED CNC(=O)CC(=O)NCC[C@H](C)NC(=O)CSCC#N 1076255003 YXVHWZOKOJJGLB-VIFPVBQESA-N 300.384 -0.610 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)[C@]2(C3CCCC3)CCNC2=O)C1 1077165643 WWFQYBPEAGOKSS-IOASZLSFSA-N 320.393 -0.632 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2cc3cc[nH]c(=O)c3s2)C1 1077267951 KAEVLPKMYYKBMN-NXEZZACHSA-N 318.358 -0.112 30 20 DBED C#CCNC(=O)CC(=O)N(CC)C1CN(C(=O)c2ncc[nH]2)C1 1079644331 DJSUOEOPCWJYBL-UHFFFAOYSA-N 317.349 -0.778 30 20 DBED CCN(C(=O)C#CC1CC1)C1CN(C(=O)[C@@H]2CC(=O)N(C)C2)C1 1079741588 NSKGTZZIWAOXKB-CYBMUJFWSA-N 317.389 -0.063 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@@H]2CN3CC4CC3(CO2)C4)[C@H](C)C1 1080164426 ASCGZGUGFIRWSU-QVCPJDEESA-N 303.406 -0.081 30 20 DBED C#CCCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cnsn2)C1 1081299487 FQFZSMLVJHTEEH-CMPLNLGQSA-N 322.390 -0.109 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@H](CNC(=O)Cc2cnc[nH]2)C1 1081800657 SWXFLSMEMXWFOT-OCCSQVGLSA-N 318.377 -0.453 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H]1CCCCN1C(=O)CNC(N)=O 1081870129 MLHAULHRKFZPRW-NEPJUHHUSA-N 324.381 -0.810 30 20 DBED C[C@H](C#N)C(=O)N1CCCC[C@H]1CNC(=O)CN1CCOCC1 1082267490 QZIDHKLPQCCOBH-KGLIPLIRSA-N 322.409 -0.024 30 20 DBED CN(C)C(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)C#CC1CC1 1083077006 NSJLVQSJQUQMLB-UONOGXRCSA-N 305.378 -0.600 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)Cc1ccn(CC)n1 1083087406 HSWAHAQYTNORRS-LSDHHAIUSA-N 302.378 -0.010 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)C[C@H]2CCCS2(=O)=O)C1 1083671666 VXKKYPQXBKJFNA-UPJWGTAASA-N 316.423 -0.309 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2c[nH]nc2[C@@H]2CCOC2)C1 1083674310 VTGPBDKLBOKHBO-RTXFEEFZSA-N 304.350 -0.678 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)c2cnc(O)cc2OC)C1 1083787321 VKVGBJQUIREBHG-NEPJUHHUSA-N 305.334 -0.406 30 20 DBED CC#CCN1CC[C@H](NC(=O)CN2C(=O)CN(C)C2=O)[C@H]1CC 1087822181 AMPPGCRPGKWIIY-QWHCGFSZSA-N 320.393 -0.127 30 20 DBED C=CCCn1cc(C(=O)N[C@H]2CCN(CC(=O)NC)[C@@H]2C)nn1 1088910731 DCTFCBSMXIBTDT-NEPJUHHUSA-N 320.397 -0.207 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2nccn3ccnc23)[C@H](O)C1 1090580550 KLIRJAYXLSCMHX-QWHCGFSZSA-N 313.361 -0.082 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)[C@H](O)C1 1090771077 NYLXYLDUDDHGCU-CHWSQXEVSA-N 323.397 -0.982 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2c[nH]c(C(N)=O)c2)[C@@H](O)C1 1090813743 VQKAYWQFTZJSPD-YPMHNXCESA-N 304.350 -0.698 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)[C@H]3COC(=O)N3)c3nccn32)C1 1092365281 GNWMPWDMJXCPFD-GHMZBOCLSA-N 315.333 -0.803 30 20 DBED C#CCN1CC(n2cc(CNC(=O)[C@@H]3C[C@H]3OCC)nn2)C1 1094276377 NCMOMWXWKNDBDJ-ZIAGYGMSSA-N 303.366 -0.191 30 20 DBED CC#CCN1CC(n2cc(CNC(=O)c3ccnn3C)nn2)C1 1094278854 OOWTUMDABLHBAD-UHFFFAOYSA-N 313.365 -0.178 30 20 DBED COC(=O)[C@H]1C[C@@H]1C(=O)NCc1cn(C2CN(CC#N)C2)nn1 1094279637 OXYURHDZDVBXTC-RYUDHWBXSA-N 318.337 -0.916 30 20 DBED N#CCN1CC(N2C[C@H](NC(=O)C[C@H]3CCOC3)CC2=O)C1 1094716105 VTPXJOYNQRARCI-VXGBXAGGSA-N 306.366 -0.662 30 20 DBED CCN(CCCNC(=O)CNC(C)=O)c1cnc(C#N)cn1 1095816831 XPJSJHAASHBOJV-UHFFFAOYSA-N 304.354 -0.183 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1C[C@H](NC(=O)CCn2cnnn2)C1 1097055688 NNQPRAYAYJTMFD-HAQNSBGRSA-N 312.337 -0.489 30 20 DBED N#Cc1nccc(N2CCC[C@H](CNC(=O)CC(N)=O)C2)n1 1097290274 XUGFICRKOKQRIQ-SNVBAGLBSA-N 302.338 -0.444 30 20 DBED Cc1cc(C#N)nc(N[C@H](C)CNC(=O)[C@@H]2COCCN2C)n1 1097764639 JXHLWPDLUZVBHS-YPMHNXCESA-N 318.381 -0.096 30 20 DBED C[C@H](CNC(=O)C[C@@H]1CC(=O)NC1=O)Nc1ncccc1C#N 1097943422 DPPLJSCKSIEBNU-MWLCHTKSSA-N 315.333 -0.077 30 20 DBED C[C@@H](CNC(=O)Cn1ncnn1)Nc1ncc(C#N)cc1F 1098084536 NLCZOFWMWVWOGY-QMMMGPOBSA-N 304.289 -0.304 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC(N(CCO)C[C@@H](C)O)CC1 1098368768 HFOWZSBXFSUHSH-ZIAGYGMSSA-N 312.410 -0.309 30 20 DBED C[C@H](CNC(=O)[C@@H](C)S(C)(=O)=O)N=c1cc[nH]cc1C#N 1098393130 QKKPDPITAMTSSV-NXEZZACHSA-N 310.379 -0.275 30 20 DBED COc1cnc(C(=O)NC[C@@H](C)N=c2cc[nH]c(C#N)n2)nc1 1098407253 PYEMAUVLUNBDBT-SECBINFHSA-N 313.321 -0.201 30 20 DBED C#CCN(CCO)C1CCN(C(=O)[C@H](C)[C@H]2CCC(=O)N2)CC1 1098485137 NWWNIDKNAJWSHK-UKRRQHHQSA-N 321.421 -0.180 30 20 DBED C#CCNCc1cn([C@H]2CCN(C(=O)Cc3cc[nH]n3)C2)nn1 1098641344 RXPSZGGWQIZFOD-AWEZNQCLSA-N 313.365 -0.260 30 20 DBED N#CCNCc1cn([C@H]2CCN(C(=O)c3cncnc3)C2)nn1 1098658898 KBEYMHDKZPGTSU-ZDUSSCGKSA-N 312.337 -0.232 30 20 DBED C=CCCCN1CC[C@@H](NC(=O)Cn2cnnc2O)[C@@H](O)C1 1099789386 NACUROYLEDPDKS-NEPJUHHUSA-N 309.370 -0.499 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)C#CC2CC2)[C@H](O)C1 1099813244 MKCIDIZAMRGDAH-UONOGXRCSA-N 305.378 -0.747 30 20 DBED N#CCN1CC[C@H](NC(=O)CNC(=O)CC2CCCC2)[C@H](O)C1 1100032246 REEILDQDXFWYOM-UONOGXRCSA-N 322.409 -0.242 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CNC(=O)C2CCC2)[C@@H](O)C1 1100125033 QZJCQWPUJBVPBQ-KGLIPLIRSA-N 307.394 -0.523 30 20 DBED COCC#CCNC1CC(CNC(=O)[C@H]2CCNC(=O)C2)C1 1100241474 VDKZDXMWSBBGGR-MOKVOYLWSA-N 307.394 -0.353 30 20 DBED CC[C@@H](CNC(=O)CN(C)C(C)=O)N=c1cc[nH]c(C#N)n1 1102986959 OMQUNPGRFIGADI-NSHDSACASA-N 304.354 -0.445 30 20 DBED C[C@@H](CNC(=O)[C@H]1CN(C)CCO1)CNc1cncc(C#N)n1 1103889705 FYNQZIXPBOXAMC-DGCLKSJQSA-N 318.381 -0.157 30 20 DBED C[C@@H](CNC(=O)Cc1nc[nH]n1)CNc1nccnc1C#N 1104074622 CGUHYNARNAURCV-VIFPVBQESA-N 300.326 -0.127 30 20 DBED C#CCNC(=O)CC(=O)N1CCC(OC2CN(CC#N)C2)CC1 1105704420 VKPDFKXYHLPNET-UHFFFAOYSA-N 318.377 -0.659 30 20 DBED CCO[C@H](C)C(=O)NC[C@@H](O)CNc1nc(C)cc(C#N)n1 1105768800 AAYDKEJQVQVWBZ-ZYHUDNBSSA-N 307.354 -0.029 30 20 DBED CCn1cnc2c(NC[C@@H](O)CNC(=O)[C@H](C)C#N)ncnc21 1105773503 IQJFMSNOUJUFQP-NXEZZACHSA-N 317.353 -0.105 30 20 DBED Cc1cc(C#N)nc(NC[C@H](O)CNC(=O)Cc2ncc[nH]2)n1 1105937091 DBQUPZNJYBCOJV-LLVKDONJSA-N 315.337 -0.489 30 20 DBED Cc1cnoc1C(=O)NC[C@@H](O)CNc1cnc(C#N)cn1 1105939040 JFVZSEMJDSUNRV-JTQLQIEISA-N 302.294 -0.153 30 20 DBED CNC(=O)NC(=O)CNC[C@@H]1CN(C(=O)C#CC(C)C)C[C@H]1C 1106100022 XJGPZOIMBCUEBZ-CHWSQXEVSA-N 322.409 -0.215 30 20 DBED C[C@H](CCNc1ccc(C#N)nn1)NC(=O)Cn1cnnn1 1106194915 JGWWZYVKLNQFJW-SECBINFHSA-N 301.314 -0.658 30 20 DBED N#CCSCC(=O)NC/C=C\CNc1ccc2nnnn2n1 1107049363 OFMGKZZHBLNILF-UPHRSURJSA-N 318.366 -0.140 30 20 DBED C=C(C)CN1CC(n2cc(CNC(=O)CC(=O)NC)nn2)C1 1107161132 ZFQHOWGXSJWRSR-UHFFFAOYSA-N 306.370 -0.537 30 20 DBED C=CCN1CC(n2cc(CNC(=O)C(C)(C)NC(C)=O)nn2)C1 1107221045 CTQQTOZPXQLRHP-UHFFFAOYSA-N 320.397 -0.148 30 20 DBED Cc1[nH]nc(C(=O)N[C@H](C)CN=c2cc[nH]c(C#N)n2)c1O 1107688718 LPJRXWAVQGVKLA-SSDOTTSWSA-N 301.310 -0.262 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H](C)CNc1ncnc2c1nnn2C 1107948178 ODRQOQNYUSKKOB-ZJUUUORDSA-N 317.353 -0.287 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)CNC(=O)[C@H](C)CC)C1 1108405016 QKUNNEMWZNBFLY-CZUORRHYSA-N 309.410 -0.011 30 20 DBED CCOCCOCC(=O)N[C@@H](C)CN=c1cc[nH]c(C#N)n1 1108410392 HHFFBJKAHPXJTQ-NSHDSACASA-N 307.354 -0.260 30 20 DBED CCS(=O)(=O)CC(=O)N[C@@H](C)CNc1ccc(C#N)nn1 1108411254 YBPXJEBRSNCPNN-VIFPVBQESA-N 311.367 -0.300 30 20 DBED C[C@@H](CNc1ncccc1C#N)NC(=O)C[C@@H]1CC(=O)NC1=O 1108436205 YHOTUWLYGYCSEI-GXSJLCMTSA-N 315.333 -0.077 30 20 DBED COCCCOCC(=O)N[C@@H](C)CN=c1cc[nH]c(C#N)n1 1108504592 CTFBZRDYGKNJNH-NSHDSACASA-N 307.354 -0.260 30 20 DBED C[C@@H](CNc1ncccc1C#N)NC(=O)Cn1ncn(C)c1=O 1108596575 OYWKMBXKRDDILL-JTQLQIEISA-N 315.337 -0.535 30 20 DBED C[C@@H](CN=c1cc[nH]cc1C#N)NC(=O)[C@@H]1CN(C)C(=O)N1 1108634922 BHFNGYGHITVQEB-CABZTGNLSA-N 302.338 -0.685 30 20 DBED CCCC(=O)NCC(=O)N(C)CCCN=c1cc[nH]c(C#N)n1 1109379803 BPZBKCRTWSRNNY-UHFFFAOYSA-N 318.381 -0.053 30 20 DBED CCC(=O)N[C@H](C)C(=O)N(C)CCCN=c1cc[nH]c(C#N)n1 1109650769 SWMCIZZFCLOFGU-LLVKDONJSA-N 318.381 -0.055 30 20 DBED Cc1nocc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1109667157 LWFVOSHCICXYHO-WXHSDQCUSA-N 317.349 -0.042 30 20 DBED COC(=O)NCC(=O)N[C@@H]1[C@H]2C[C@H]1N(c1nccnc1C#N)C2 1109684968 YKEXNJORBUSNHD-MKPLZMMCSA-N 316.321 -0.602 30 20 DBED C[C@@]1(NC(=O)Cc2nc[nH]n2)CCN(c2ccnc(C#N)n2)C1 1110791158 ABZLUMPTKJSUKK-CQSZACIVSA-N 312.337 -0.206 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cccnn1 1111175148 QBHHDDZBTCDQEB-BNOWGMLFSA-N 313.361 -0.439 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H](C)[C@H](Nc2ncccn2)C1 1112308721 MEKHMIUMQCNBSN-NWDGAFQWSA-N 301.350 -0.125 30 20 DBED C=CCCOCC(=O)NC[C@@H]1CN(c2ncccn2)C[C@H]1O 1112731808 UXCRDVBHRYHRGL-CHWSQXEVSA-N 306.366 -0.017 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(c2nc(C)ns2)C[C@H]1O 1112738526 PYDNSALENTXWEH-VXGBXAGGSA-N 324.406 -0.200 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)C2CC(OC)C2)CC1 1112994542 AKXGPUPWNUBNGE-IYXRBSQSSA-N 307.394 -0.307 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)CCc2ccon2)CC1 1113099940 SSMRJFMBWLUGHP-UHFFFAOYSA-N 305.338 -0.609 30 20 DBED C[C@H](CNC(=O)Cn1ncnn1)N(C)c1ncccc1C#N 1113722640 CCKCNYNSFXWOGQ-SNVBAGLBSA-N 300.326 -0.419 30 20 DBED CCc1cc(C(=O)N2CCN(CC(=O)NCC#N)CC2)nn1C 1113733227 UNEDBZFOBRJWCA-UHFFFAOYSA-N 318.381 -0.620 30 20 DBED CC(=O)NCC(=O)N[C@H]1CN(c2cnc(C#N)cn2)CC[C@@H]1C 1113993941 GTXSHDHETBUYIV-GWCFXTLKSA-N 316.365 -0.185 30 20 DBED C=CCOCC(=O)NC1[C@@H]2CN(C[C@H](O)Cn3cccn3)C[C@@H]12 1114033602 ADQZSPVGGZKMCJ-BFHYXJOUSA-N 320.393 -0.507 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@@H]2CN(Cc3ccnn3C)C[C@@H]12 1114158271 SWYATVSYJPNFJD-CHWSQXEVSA-N 315.377 -0.894 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)c3nccn3CC)[C@@H]2C1 1114188806 HCLHPSFQACKGLB-VXGBXAGGSA-N 317.393 -0.135 30 20 DBED CCn1ncc(C(=O)NC2[C@@H]3CN(CC#CCOC)C[C@@H]23)n1 1114217140 KMMAMTPFRSMNBH-VXGBXAGGSA-N 303.366 -0.392 30 20 DBED CCC(=O)N[C@H](C)C(=O)N[C@H]1[C@@H]2CN(CC#CCOC)C[C@@H]21 1114317670 YIJKBMLZFBGLNL-CXTNEJHOSA-N 307.394 -0.403 30 20 DBED CC(=O)NCC(=O)NC[C@H]1[C@@H]2CN(c3ccc(C#N)cn3)C[C@H]12 1114503818 VIUFMTRJUVOPFY-ZSOGYDGISA-N 313.361 -0.112 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)C3(CF)CCC3)[C@@H]2C1 1114865399 WDCPEGQWPZAXQO-VXGBXAGGSA-N 307.369 -0.078 30 20 DBED COCC#CCN1C[C@@H]2C(NC(=O)c3ccc(=O)n(C)n3)[C@H]2C1 1115207623 VKQGIUXWLLNGKO-RYUDHWBXSA-N 316.361 -0.910 30 20 DBED C=CCN1C[C@H]2[C@H](NC(=O)CCS(=O)(=O)N(C)C)[C@H]2C1 1115281883 DDPCRXYLLVWHRD-PJXYFTJBSA-N 301.412 -0.500 30 20 DBED CC#CCN1C[C@H]2C(NC(=O)CCS(=O)(=O)N(C)C)[C@@H]2C1 1115282129 IZNHZTZOCQYPKU-VXGBXAGGSA-N 313.423 -0.662 30 20 DBED C=C(CC)CNC(=O)C(=O)NCCCN(C)S(=O)(=O)CC 1118062253 MDJMHJCSQKWWDQ-UHFFFAOYSA-N 319.427 -0.143 30 20 DBED CN(CCN1CCCCC1)C(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1118258783 SZHQLEZEFWYEGF-INIZCTEOSA-N 322.409 -0.192 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H](CC)CNS(C)(=O)=O 1119628673 QYFCVKUSCCQMPK-RYUDHWBXSA-N 301.412 -0.472 30 20 DBED C=CCNC(=O)Cn1nnnc1N1CC[C@H]([C@@H]2CCOC2)C1 1120070450 RQDUFKXMLRUGHI-NWDGAFQWSA-N 306.370 -0.162 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)CN2CCCC2=O)nc1 1121023061 CGFRTZZWONVVGD-GFCCVEGCSA-N 317.349 -0.535 30 20 DBED CCCN(C)CCC(=O)NC[C@H](CO)N=c1cc[nH]cc1C#N 1121840954 WJMIGSBKJBNHKB-CQSZACIVSA-N 319.409 -0.004 30 20 DBED C[C@]1(C(=O)NC[C@@H](CO)Nc2ccc(C#N)nc2)CNC(=O)C1 1122253862 HTOVMLIXJDSAAT-SWLSCSKDSA-N 317.349 -0.632 30 20 DBED CNC(=O)NCC(=O)N1CC[C@@H](Nc2nccnc2C#N)[C@H]1C 1123107784 CSHNATBDWKHGJL-NXEZZACHSA-N 317.353 -0.321 30 20 DBED C[C@H]1C[C@@H](Nc2cnc(C#N)cn2)CN1C(=O)CNC(N)=O 1123147076 PFQNSOCILAIOBJ-DTWKUNHWSA-N 303.326 -0.582 30 20 DBED C[C@H](NC(=O)NC1CCN(CC#N)CC1)[C@H]1CN(C)CCN1C 1123598624 DLELVWIJZUKJMB-DZGCQCFKSA-N 322.457 -0.092 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)C[C@H]1CCOC1 1125118367 HYPKWHLARVHNFN-LLVKDONJSA-N 312.370 -0.869 30 20 DBED C#CCOCCC(=O)NCCNCc1nc(C2CC2)nn1C 1127032057 QMIDKALRXCSUGR-UHFFFAOYSA-N 305.382 -0.062 30 20 DBED C=CCCN1C[C@H]2C[C@H]3CN(C(=O)[C@H](C)NC(N)=O)C[C@@]3(C1)O2 1131216847 GDXIGXANWBWUCG-BCUIYNNISA-N 322.409 -0.079 30 20 DBED C[C@H]1CC[C@@H](NC(=O)c2cn[nH]c2)CN1CC(=O)NCC#N 1131826266 OOSFUPOQWMUEOC-CMPLNLGQSA-N 304.354 -0.368 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)Cc2ccon2)CC[C@H]1C 1131931204 OROSYAPGFWSVIO-OCCSQVGLSA-N 318.377 -0.064 30 20 DBED C#CCCN1C[C@@H](NC(=O)CN(C)S(C)(=O)=O)CC[C@@H]1C 1132079316 WQHAOXCHPHIEFM-STQMWFEESA-N 315.439 -0.130 30 20 DBED C=CCNC(=O)CN1C[C@H](NC(=O)Cn2cncn2)CC[C@H]1C 1132462995 AXHKNRBUUXGART-CHWSQXEVSA-N 320.397 -0.451 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@H]1CCc2cccnc21 1132983586 DBXZBXYNQCPCHB-JSGCOSHPSA-N 314.389 -0.045 30 20 DBED Cc1ncc(C(=O)N[C@@H](C)C[C@@H](C)NCC(=O)NCC#N)[nH]1 1133916048 BYFVDMIVIILILV-ZJUUUORDSA-N 306.370 -0.156 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)C[C@@H](C)NCc1nnc(C)o1 1134131207 SAZLDPCKFWNFGD-MNOVXSKESA-N 321.381 -0.110 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)c1c(C)ncn1C 1134652070 FGEMAWYMRDCULH-NEPJUHHUSA-N 319.409 -0.036 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1c(C)nn(CC)c1C 1135411410 BVWLLVKNBXTZLJ-GFCCVEGCSA-N 319.409 -0.023 30 20 DBED C=CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)Cc1nc[nH]n1 1135906730 FEWCSNDWUCDWIC-MNOVXSKESA-N 308.386 -0.478 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CCN(C(=O)CC)C1 1146912943 XNSXIUULMADGAA-OLZOCXBDSA-N 322.409 -0.911 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC2(CN(C(=O)c3cocn3)C2)C1 1147186757 BYCIRUCKAATEPX-GFCCVEGCSA-N 316.361 -0.040 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)[C@@H]1CCCN1C)C2 1147212083 MQMORDBNQPQJDG-AWEZNQCLSA-N 318.421 -0.636 30 20 DBED C=CCNC(=O)CN1CCCO[C@@H](CNC(=O)c2cc[nH]n2)C1 1149189344 RLDUVKPIADDVAA-LBPRGKRZSA-N 321.381 -0.467 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)C[C@H]1CCC(=O)N1 1155790183 UXEOKRZLUUIZMV-CHWSQXEVSA-N 322.409 -0.769 30 20 DBED C=CCN(CC)[C@H](C)CNC(=O)[C@H](CCC(N)=O)NC(C)=O 1155856164 COUXGFQKXVKBLL-YPMHNXCESA-N 312.414 -0.231 30 20 DBED C#CCN1CCC(C(=O)NCCCN[C@H]2CCNC2=O)CC1 1176926191 IOWZKPGQOHKPSX-AWEZNQCLSA-N 306.410 -0.684 30 20 DBED C=CCNC[C@]1(C)CN(C(=O)CS(=O)(=O)NC)C[C@H]1C 1183449019 OHDLXNYZDQVQQC-DGCLKSJQSA-N 303.428 -0.204 30 20 DBED Cn1c(C(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)cnc1Cl 1184237959 FFDAPMAVCYENGS-SECBINFHSA-N 324.772 -0.483 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 1189389144 HOGXVAHCFDKEPH-KGLIPLIRSA-N 306.410 -0.637 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2csc(O)n2)C1 1191848310 HBLMXMHTFLQLOB-SNVBAGLBSA-N 322.390 -0.256 30 20 DBED C=C(Cl)C(C)(C)C(=O)N[C@@H]1CN(C[C@@H](O)COC)C[C@H]1O 1193313059 XZSQIUPSHMGJEP-IJLUTSLNSA-N 320.817 -0.066 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)c2cc(F)c[nH]2)C1 1194790474 YSRMLIYDJULYHB-ZWKOPEQDSA-N 322.340 -0.933 30 20 DBED N#CCNC(=O)CNC1CCN(C(=O)Cc2cncs2)CC1 1201156825 CEDYJSATIDCKOG-UHFFFAOYSA-N 321.406 -0.094 30 20 DBED CCn1ncc(C(=O)N2CCC[C@@H](NCC(=O)NCC#N)C2)n1 1207979802 NUIPWXUFYNHGPG-LLVKDONJSA-N 319.369 -0.868 30 20 DBED Cc1n[nH]cc1C(=O)N1CCC[C@@H](NCC(=O)NCC#N)C1 1208870409 XKENJUSDXLLCLL-LLVKDONJSA-N 304.354 -0.448 30 20 DBED N#CCN[C@H]1CCCN(C(=O)CCNC(=O)c2cnccn2)C1 1211170009 SBGBSTMIDSBWRY-LBPRGKRZSA-N 316.365 -0.299 30 20 DBED C=CCOCCN1C[C@@H](NC(=O)c2nnn(C)c2C)[C@H](OC)C1 1212068920 GXEJVUSSGOHJNR-CHWSQXEVSA-N 323.397 -0.245 30 20 DBED CO[C@@H]1CN(Cc2ncnn2C)C[C@H]1NC(=O)C#CC(C)C 1212233722 FSOPRNQPUODXMM-CHWSQXEVSA-N 305.382 -0.210 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)N[C@@H]1CN(CC#N)C[C@H]1OC 1213921486 BEZVTUWVWUDRKM-VXGBXAGGSA-N 323.397 -0.411 30 20 DBED COCCCNC(=O)CN[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C 1214585665 NTIOJLMGXNVSRN-UKRRQHHQSA-N 321.421 -0.011 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H](C)OCC 1217348939 GPAOORPOYCOUSY-MELADBBJSA-N 323.393 -0.928 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)CCn2cncn2)C1 1219207040 UXRWJRLJPIAWNH-OLZOCXBDSA-N 309.370 -0.968 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(Cc2cn(CC)nn2)C[C@@H]1O 1219539303 FPGOFJBHFSYHBG-KGLIPLIRSA-N 305.382 -0.237 30 20 DBED CCn1c(C)nnc1CN1C[C@H](O)[C@H](NC(=O)C#CC2CC2)C1 1219590058 UNUYRKWVNRYUEP-KGLIPLIRSA-N 317.393 -0.319 30 20 DBED CC(C)(C)C#CC(=O)N[C@@H]1CN(CCNC(=O)C2CC2)C[C@@H]1O 1219598376 VMPQBFPIBAXDGM-KGLIPLIRSA-N 321.421 -0.277 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2ccn(C)n2)C[C@@H]1O 1219613983 XCTRJNDUPXEDIO-KGLIPLIRSA-N 306.366 -0.879 30 20 DBED C=C(C)C(C)(C)C(=O)N[C@@H]1CN(CCS(C)(=O)=O)C[C@@H]1O 1220123935 RNMSJVAJNNZUCO-NEPJUHHUSA-N 318.439 -0.205 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2ccnn2C)C[C@@H]1O 1221143405 CTNZRMZHDJQTPA-YUTCNCBUSA-N 308.382 -0.328 30 20 DBED C#CCOCCC(=O)N1C[C@H]2CCN([C@H](C)C(=O)NC)C[C@H]21 1221546268 NUSARUJTEYLIJT-MGPQQGTHSA-N 307.394 -0.307 30 20 DBED COCCS(=O)(=O)CC(=O)N1C[C@H]2CCN(CC#N)C[C@H]21 1221650927 MEGTVDWCCWDVKG-VXGBXAGGSA-N 315.395 -0.896 30 20 DBED CC#CCN1CCC(CNC(=O)Cn2c(O)nnc2O)CC1 1225271520 VWRHAGVSWHIPKI-UHFFFAOYSA-N 307.354 -0.459 30 20 DBED C[C@@H]1C[C@@H](C(=O)NC2CCN(CC(=O)NCC#N)CC2)CO1 1228065571 RFUYLIWXXYOFIB-VXGBXAGGSA-N 308.382 -0.368 30 20 DBED N#CCN1CCS(=O)(=O)[C@@H](CCNC(=O)c2cccnn2)C1 1230512206 KTCJEKJKDHHHST-NSHDSACASA-N 323.378 -0.781 30 20 DBED C=CCNC(=O)CN1CC[C@H]1CN(C)C(=O)Cc1cc[nH]n1 1231376345 CFZABEZSEXHCSI-ZDUSSCGKSA-N 305.382 -0.213 30 20 DBED C=CCNC(=O)CN1CC[C@H]1CN(C)C(=O)Cc1cncnc1 1234019680 GDVZQKCVFLYHLZ-AWEZNQCLSA-N 317.393 -0.146 30 20 DBED C=CCN1CC[C@H](N(C)CCCNC(=O)CN(C)C(C)=O)C1=O 1234172526 HATHRNBNPCQNHH-AWEZNQCLSA-N 324.425 -0.310 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C[C@@H]1CCN1Cc1ncnn1C 1234226947 VCJVRPYVLMKNPJ-STQMWFEESA-N 305.382 -0.114 30 20 DBED C#CCOCCC(=O)N(C)C[C@H]1CCN1Cc1nc(=O)n(C)[nH]1 1234254723 CNRSFRVLAMFLNM-GFCCVEGCSA-N 321.381 -0.819 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)[C@H]1OCCO[C@H]1C 1235469514 GBZBIHPTXVTJBU-YDHLFZDLSA-N 323.393 -0.928 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N[C@H](CO)C1CCOCC1 1256427223 GVPKCQOVPMCMGZ-GFCCVEGCSA-N 320.411 -0.326 30 20 DBED C=CCC1(O)CCN(C(=O)C(=O)N2CCn3ncnc3C2)CC1 1262512070 BKCLMYFPNYDGMP-UHFFFAOYSA-N 319.365 -0.450 30 20 DBED C=CCNC(=O)[C@H](C)N1CC(NC(=O)[C@@H]2CCCCN2C)C1 1268438292 QVDAEMYJUDOQNF-JSGCOSHPSA-N 308.426 -0.038 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)NCCOC[C@H]1CCCO1 1322147504 AMYLWVJDUNYRHW-VXGBXAGGSA-N 300.355 -0.385 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CC[C@H](NC(N)=O)C1 1327753387 UUSRATDVCDISST-WOPDTQHZSA-N 324.381 -0.647 30 20 DBED CCN(CC)C(=O)CNC(=O)C(=O)Nc1cnn(CC#N)c1 1329767055 XNAQTZQSOLPCRQ-UHFFFAOYSA-N 306.326 -0.670 30 20 DBED C#CCN1CCC[C@H](NC(=O)C(=O)Nc2ccnc(OC)n2)C1 1331408544 BQCQFOJIVVSHGS-NSHDSACASA-N 317.349 -0.363 30 20 DBED COC[C@@H](NC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1)C1CC1 1332617996 VGBBHWGVYAVNEW-UONOGXRCSA-N 320.393 -0.274 30 20 DBED C#CCSCCn1nnnc1N(C)[C@@H]1CCS(=O)(=O)C1 1337200931 AXXIPEAJKZMBJA-SNVBAGLBSA-N 315.424 -0.337 30 20 DBED C=CCn1c([C@H]2CNC(=O)C2)nnc1N(C)C[C@@H]1COCCO1 1338001518 AMXIBMRZZIZUCR-VXGBXAGGSA-N 321.381 -0.081 30 20 DBED COCCn1cc(C(=O)N(CC#N)CC(=O)OC)ccc1=O 1339346220 MHGCFSHCKPFJPI-UHFFFAOYSA-N 307.306 -0.367 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)Nc1ccc(CC(N)=O)cc1 1342732997 OANPEINIMHNTPY-NSHDSACASA-N 305.334 -0.030 30 20 DBED CO[C@H](C)CCC(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1 1346065237 POSSWQFUYJGTTK-GHMZBOCLSA-N 316.379 -0.233 30 20 DBED C=CCN(C(=O)C(=O)N1CCN2C(=O)NC[C@@H]2C1)[C@H](C)COC 1350278760 HNPZRBCSXVPWHT-VXGBXAGGSA-N 324.381 -0.728 30 20 DBED N#Cc1c[nH]nc1NC(=O)COCC(=O)NCc1cccnc1 1362588370 MOZBMMNZJMPZPS-UHFFFAOYSA-N 314.305 -0.052 30 20 DBED COC(=O)C1(C#N)CCN(C(=O)COCc2nncn2C)CC1 1363204407 LGBAOTCVKAPOSS-UHFFFAOYSA-N 321.337 -0.363 30 20 DBED CCNC(=O)C1(CNc2[nH]c(=O)n(C)c(=O)c2C#N)CCC1 1364170431 IHMCGWNRTSYZHK-UHFFFAOYSA-N 305.338 -0.336 30 20 DBED CC(C)(C#N)CS(=O)(=O)N1CCC(OCC(N)=O)CC1 1365131497 QKONZRHMBCNJLN-UHFFFAOYSA-N 303.384 -0.168 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CCN(C(=O)CCc2nc[nH]n2)C1 1372072277 ZJOQTACYKDRYHS-MNOVXSKESA-N 304.354 -0.044 30 20 DBED CC(=O)NCC(=O)NC[C@@H](O)CNCc1ccc(C#N)cc1 1379157149 WFMOQUPWBVVULY-AWEZNQCLSA-N 304.350 -0.739 30 20 DBED C[C@H](C#N)C(=O)NCC1CCN(C(=O)[C@@H]2CCC(=O)N2)CC1 1385476149 NMPXPFFJOJADLD-PWSUYJOCSA-N 306.366 -0.221 30 20 DBED CC[C@@H](CNC(=O)Cn1nc(C)n(C)c1=O)NC(=O)[C@H](C)C#N 1390602608 RCXCKFSKAWZENQ-KOLCDFICSA-N 322.369 -0.939 30 20 DBED CCN(CCNC(=O)CNC(C)=O)C(=O)c1cc(C#N)c[nH]1 1398052841 JHPNJWFYPWDMLP-UHFFFAOYSA-N 305.338 -0.399 30 20 DBED C=C(Cl)CN[C@@H](C)CNC(=O)Cn1nc(C)n(C)c1=O 1399136778 WTDXLYYKJPWEJR-VIFPVBQESA-N 301.778 -0.263 30 20 DBED CCCS(=O)(=O)CC(=O)N1CCN(C(=O)[C@H](C)C#N)CC1 1407058824 JBIPOCAIFWQFAU-LLVKDONJSA-N 315.395 -0.358 30 20 DBED Cc1cnc2nc(C(=O)N(C)CCNC(=O)[C@@H](C)C#N)nn2c1 1415598598 NVAFQFKPWMSYJM-JTQLQIEISA-N 315.337 -0.219 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)[C@@H](C)CN2CCOCC2)C1 1432258108 YWWDVHRYTHYOSU-RYUDHWBXSA-N 308.382 -0.559 30 20 DBED C[C@H](O)[C@H]1CCCN1C(=O)CCn1cc(C#N)c(O)nc1=O 1434187669 JXCWRZLSHJFUQU-GXSJLCMTSA-N 306.322 -0.418 30 20 DBED C=C(Cl)CNC[C@@H](O)CNC(=O)C[C@H]1CCN(C)C1=O 1445181074 DVKXJNIJZZSKCL-GHMZBOCLSA-N 303.790 -0.326 30 20 DBED C=C(Cl)CNCC1(O)CCN(C(=O)[C@@H]2CCC(=O)N2)CC1 1447611287 LBEWHSPFJKHYHA-NSHDSACASA-N 315.801 -0.039 30 20 DBED N#Cc1cn(CC(=O)NCC[C@@H](O)C2CCCC2)c(=O)nc1O 1454982849 ZRMPIMTUQCBGLZ-GFCCVEGCSA-N 320.349 -0.122 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC[C@H](NC(=O)C2(C(=O)NC)CC2)C1 1490567589 WAAGDMPWOIVIHQ-NEPJUHHUSA-N 322.409 -0.606 30 20 DBED C#CCNC(=O)CNC[C@H]1CCCN1C(=O)c1cn(C)nc1C 1499883489 XLJURDKKBAIHED-CYBMUJFWSA-N 317.393 -0.328 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C)C(=O)[C@@H](C)CS(C)(=O)=O 1528596987 PLYUZIZYDROCQG-UWVGGRQHSA-N 303.384 -0.599 30 20 DBED C[C@@H](C(=O)N1CC[C@H](NCC(=O)NCC#N)C1)c1cnn(C)c1 1567110261 HILPTHSNQLRLCO-YPMHNXCESA-N 318.381 -0.646 30 20 DBED C=C(Cl)C(C)(C)C(=O)NC[C@@H](O)CNC(=O)CNC(=O)O 1573338671 FWAGKHIJWOSCBM-QMMMGPOBSA-N 321.761 -0.374 30 20 DBED C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CCO[C@@H]2CN)n1 1574760425 YIYBLPOIBXUVSD-HUUCEWRRSA-N 320.393 -0.145 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCCN(CCOC)Cc1cnn[nH]1 1575112284 SKEZSAYWZNLVNJ-KGLIPLIRSA-N 323.397 -0.040 30 20 DBED CNC(=O)[C@H]1CCCN(c2cnc(C#N)c(-c3nn[nH]n3)n2)C1 1579387221 WVGBKQBXWDZTNB-QMMMGPOBSA-N 313.325 -0.509 30 20 DBED N#Cc1ccc(CN2CCCN(C(=O)[C@H](N)CO)CC2)cc1 1580066252 HSZCOBITROUAFW-OAHLLOKOSA-N 302.378 -0.088 30 20 DBED C#C[C@H]1COCCN1C(=O)N[C@H]1CCCCN(CC(=O)O)C1=O 1588388950 IZHUZSBIVHRLBQ-RYUDHWBXSA-N 323.349 -0.504 30 20 DBED C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H]2C(=O)O)cc1 1588486153 KXHRDGAVXVHKTQ-GFCCVEGCSA-N 322.342 -0.103 30 20 DBED CN1C[C@@H]2CN(c3cnc(-c4nn[nH]n4)c(C#N)n3)C[C@]2(C)C1 1591196232 JINNSQKWTOKLKI-OTYXRUKQSA-N 311.353 -0.084 30 20 DBED N#Cc1cccc(C(=O)N(CCN2CCOCC2)CC(=O)O)n1 1601115085 NBWPIPCYWGDCNB-UHFFFAOYSA-N 318.333 -0.188 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)[C@@H]1C[C@H]1C(=O)O 1605448291 ZGOWQPDZKKGTRQ-NXEZZACHSA-N 303.322 -0.249 30 20 DBED COC[C@@H](O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C 1646665776 XKRZNIOKNBUOIC-NWDGAFQWSA-N 306.370 -0.329 30 20 DBED N#C[C@H]1CN(S(=O)(=O)N2CCC[C@@H](CC(N)=O)C2)CCO1 1647180297 WUBXFEJFCAIXSD-QWRGUYRKSA-N 316.383 -0.957 30 20 DBED CN(C)CCN1CCC(Nc2[nH]c(=O)n(C)c(=O)c2C#N)CC1 1650225402 KUCYNKGZHCCHBM-UHFFFAOYSA-N 320.397 -0.617 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)Cc2cnn(C)c2)C1 1752555436 OHVAUYTTXQNSOK-OCCSQVGLSA-N 319.409 -0.156 30 20 DBED C=CCNC(=O)CN[C@H]1C[C@@H](NC(=O)Cc2cnn(CC)c2)C1 1752772844 NGZMZUHDXBKOFA-OKILXGFUSA-N 319.409 -0.016 30 20 DBED C[C@@H](CNC(=O)c1ccc2cccnn12)NCC(=O)NCC#N 1752902573 DYTICWFDVBYYRZ-NSHDSACASA-N 314.349 -0.318 30 20 DBED C[C@H](CNC(=O)Cn1cc(Cl)cn1)NCC(=O)NCC#N 1752906254 IVFPRHPFIBZHHW-SECBINFHSA-N 312.761 -0.729 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@H]1CCN(C(=O)Cn2ccnc2)C1 1752962066 BJCZOBRBFCGTAR-ZIAGYGMSSA-N 317.393 -0.541 30 20 DBED CN(CCNC(=O)c1cccc2[nH]ncc12)CC(=O)NCC#N 1753058953 NAEOOCBVKSJSDW-UHFFFAOYSA-N 314.349 -0.136 30 20 DBED C#CCNC(=O)CN(C)CCNC(=O)c1cc(OC)ccn1 1753059363 FTFCCGVPPPZKJB-UHFFFAOYSA-N 304.350 -0.499 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC[C@@H]1CNC(=O)CNC(=O)OC 1753099312 RMVMGDWVIIUWSP-VXGBXAGGSA-N 324.381 -0.939 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H]1CCCN1Cc1nncn1C 1753102279 GWFHJXKSZLULSO-QWHCGFSZSA-N 305.382 -0.066 30 20 DBED CCCN(CCNC(=O)c1nonc1C)CC(=O)NCC#N 1753151056 VLEWIXZENZGPLS-UHFFFAOYSA-N 308.342 -0.540 30 20 DBED C=CCCO[C@@H](C)C(=O)NCC1CN(Cc2nnnn2C)C1 1753397748 RGWUOBDVSOKCCG-NSHDSACASA-N 308.386 -0.261 30 20 DBED COCC#CCN1CCO[C@@H](CNC(=O)c2c[nH]c(C#N)c2)C1 1753649978 KLVLIXGXBFQFSR-HNNXBMFYSA-N 316.361 -0.033 30 20 DBED N#CCNC[C@@H](O)CNC(=O)Cn1c(=O)oc2ccccc21 1753936430 WMORRGKVMASOER-SNVBAGLBSA-N 304.306 -0.815 30 20 DBED C=C(C)CN(CC)C(=O)CNC[C@H](C)NC(=O)c1cn(C)nn1 1754264743 IBBGXTZKQXIDSQ-LBPRGKRZSA-N 322.413 -0.052 30 20 DBED CC(C)N(C)CC(=O)N1CCC[C@H]1CNCC(=O)NCC#N 1754622373 ORWGVSBAIORAFB-ZDUSSCGKSA-N 309.414 -0.453 30 20 DBED C=CCCN1CC[C@@](O)(CNC(=O)CS(=O)(=O)CC)C1 1754762103 JGOSXALYDZBIAY-CYBMUJFWSA-N 304.412 -0.450 30 20 DBED CC#CCN1CC(O)(CNC(=O)c2ncccc2NC(C)=O)C1 1754768434 MRJUMORKZUYOEQ-UHFFFAOYSA-N 316.361 -0.160 30 20 DBED C=C(C)CN1CC(O)(CNC(=O)[C@@H]2CCc3nnc(C)n3C2)C1 1754779537 POCJZQDVFQCNTR-CYBMUJFWSA-N 319.409 -0.112 30 20 DBED C#CCCN1CC(CCO)(NC(=O)[C@@H](C)CS(C)(=O)=O)C1 1755344789 UJDLZSITINQRRK-LBPRGKRZSA-N 316.423 -0.757 30 20 DBED N#CCNCCCOC1CCN(C(=O)CCn2cnnn2)CC1 1755347966 PSSCEHKDIWPYOS-UHFFFAOYSA-N 321.385 -0.426 30 20 DBED C#CCNC(=O)CN[C@H](CO)CNC(=O)c1cc(C)oc1C 1755624116 MWNZJBOMDGAMGG-LBPRGKRZSA-N 307.350 -0.674 30 20 DBED CN(C[C@@H](O)CNCC#N)C(=O)c1ccc(S(C)(=O)=O)o1 1755789670 RGFPVCPUJNFGOT-VIFPVBQESA-N 315.351 -0.771 30 20 DBED C#CCCCCC(=O)N(C)C[C@@H](O)CN(C)[C@@H]1CCNC1=O 1755800261 XZYDPHBBQJKVBQ-UONOGXRCSA-N 309.410 -0.180 30 20 DBED C=CCN(C)C[C@@H](O)CN(C)C(=O)CNC(=O)c1ccccn1 1755806994 BUBPJQQGASVTBZ-CYBMUJFWSA-N 320.393 -0.252 30 20 DBED C=CCOCC(=O)N[C@H](C)C1CN(C(=O)CNC(=O)C2CC2)C1 1756131084 ZXKFQRKRGGCETK-LLVKDONJSA-N 323.393 -0.322 30 20 DBED CC(=O)N[C@H](C)C(=O)NCC1[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]12 1756189585 HZSRTVOIIAZZTD-ONERCXAPSA-N 317.389 -0.255 30 20 DBED C[C@@H](C#N)C(=O)N1CC=C(CCNC(=O)CCNC(N)=O)CC1 1756878616 VIPUBQAJVQELDR-NSHDSACASA-N 321.381 -0.131 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(C(=O)[C@H](C)NC(C)=O)[C@@H]1C 1757503072 BSSJHVXTLURRKA-LOWVWBTDSA-N 311.382 -0.181 30 20 DBED CN1CCNC[C@@H]1C(=O)N1CCN(c2ccc(C#N)nc2)CC1 1772264072 ZWOSKVWMHGAYRW-OAHLLOKOSA-N 314.393 -0.495 30 20 DBED N#Cc1ccc(C(=O)O)c(C=NNC(=S)NCC(N)=O)c1 1776042490 UAFXRTQYSOHLLW-UHFFFAOYSA-N 305.319 -0.460 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCO[C@@](C)(C(=O)O)C1 1776215351 LFHYXMKNWDTKHW-GXSJLCMTSA-N 305.356 -0.502 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCO[C@](C)(C(=O)O)C1 1776215355 LFHYXMKNWDTKHW-ONGXEEELSA-N 305.356 -0.502 30 20 DBED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCCN3C)C2)C1 1781033126 OQGSWEBBUGVKPE-YOEHRIQHSA-N 319.405 -0.066 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(O)cn1)CCO2 1783049529 CSIKEVDQEPYKAR-MRXNPFEDSA-N 315.329 -0.136 30 20 DBED CC(=O)N[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)CC#N)CCO2)C1 1783169822 LSTFPXVQCJCDIP-NHYWBVRUSA-N 322.365 -0.745 30 20 DBED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3CC3)C[C@@H]21 1791079609 VARJIXHDCRFBMA-AVGNSLFASA-N 320.345 -0.536 30 20 DBED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCOC3)[C@H]2C1 1791757496 WRXQZYHFOSOVJM-XUXIUFHCSA-N 306.362 -0.364 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)[C@H](C)CC)C2 1800450359 BLVUOKXHIKBKKJ-GGUBGCTKSA-N 308.378 -0.384 30 20 DBED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@H](O)CC)C2 1841598144 PPRMLYGKEVEVPR-CHWSQXEVSA-N 308.378 -0.001 30 20 DBED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1841603158 GAJXRDJLLUKISM-GFCCVEGCSA-N 318.329 -0.684 30 20 DBED CC[C@H](C#N)NC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 263864787 YEYDZGCYBPYRFN-SECBINFHSA-N 318.337 -0.758 30 20 DBED CN1CC[C@H](C/N=C(\N)N2CCN(c3ncccn3)CC2)C1 264095990 MQSKRLVDAQZBGI-CYBMUJFWSA-N 303.414 -0.135 30 20 DBED Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N(C)CC#N 266083271 HGQCBDHGTKUFQF-SECBINFHSA-N 313.383 -0.314 30 20 DBED C#CCNC(=O)CN1CCCN(c2nccn3cnnc23)CC1 271289717 IAUHFKNGNZEYGE-UHFFFAOYSA-N 313.365 -0.614 30 20 DBED CN(CC(=O)N1CCOCC1)S(=O)(=O)c1cccnc1C#N 277085931 VCRFSLZRVVDBAA-UHFFFAOYSA-N 324.362 -0.567 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@@H](C)Cn1ccnc1 282858044 OHJQYIWQSOQQHY-LBPRGKRZSA-N 315.399 -0.032 30 20 DBED C[C@@H]1CN(/C(O)=N/Cc2nnn(C)n2)C[C@@]2(CCCOC2)O1 330126157 MFSGUEOTVMHBEJ-ZWNOBZJWSA-N 310.358 -0.106 30 20 DBED CC[C@@H](O)CN1CCN(/C(O)=N/CCN2CCOCC2)CC1 330711881 VKSJOEWOHYTPMF-CQSZACIVSA-N 314.430 -0.379 30 20 DBED CS(=O)(=O)N1CCN(C(=O)NCC2(C#N)CCC2)CC1 332464765 KGKOCCVOHISKKG-UHFFFAOYSA-N 300.384 -0.033 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@H](C(N)=O)C(C)(C)C 336947323 PCBWIVITVRSGKE-SNVBAGLBSA-N 320.415 -0.417 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)NCC2(O)CCCCC2)CCO1 337093464 NNCPGDLIOPBEOA-LLVKDONJSA-N 303.384 -0.260 30 20 DBED CN1C(=O)C(=O)N(CC(=O)N(C)c2ccccc2C#N)C1=O 337847147 ICKIIFHMKFZVPM-UHFFFAOYSA-N 300.274 -0.058 30 20 DBED COC(=O)[C@@H]1C[C@@H](OC)CN1C(=O)[C@H](C)n1cnc(C#N)n1 342731565 KWEJGCIGJFZVQJ-AEJSXWLSSA-N 307.310 -0.500 30 20 DBED C[C@@H]1C(=O)N(C)CCN1CCS(=O)(=O)c1ccc(C#N)cn1 343788000 GDIYPSUTKODSAF-LLVKDONJSA-N 322.390 -0.111 30 20 DBED CC(C)NC(=O)C(=O)N1CCN(C(=O)NCCCC#N)CC1 343989649 JFIZVKOVSBOFFM-UHFFFAOYSA-N 309.370 -0.331 30 20 DBED CCN(CCCNS(=O)(=O)CCCC#N)S(C)(=O)=O 348107054 IEILMEBXONAHNM-UHFFFAOYSA-N 311.429 -0.119 30 20 DBED C=CCCOCCNC(=O)C(=O)N[C@@H]1CC(=O)N2CCCC[C@@H]12 355259280 XSTHQIATHQRTAF-OLZOCXBDSA-N 323.393 -0.035 30 20 DBED C=CCOc1cccnc1C(=O)NCCN1CCNC(=O)C1 357981894 SVJQSHWSFICVBY-UHFFFAOYSA-N 304.350 -0.192 30 20 DBED N#CCNC(=O)CNC(=O)NCCn1cnc2ccccc21 358302762 XBNUIGDWUPERHX-UHFFFAOYSA-N 300.322 -0.025 30 20 DBED C=C(C)CN(CC)C(=O)C(=O)NCCNC(=O)c1cnccn1 358360012 UXFOZDAUAKEJQW-UHFFFAOYSA-N 319.365 -0.253 30 20 DBED CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)N1CCO[C@@H](C#N)C1 408395138 POCQUIMRNCMGJF-VHSXEESVSA-N 303.384 -0.299 30 20 DBED C=C[C@@H]1CCCCN1C(=O)C(=O)NCCCN1CCNCC1 419855461 QTHXKPHLBKFOAS-CQSZACIVSA-N 308.426 -0.035 30 20 DBED COc1cccc([S@](=O)CC(=O)NCC(=O)NCC#N)c1 424855558 SUNAGWIINVHZLC-OAQYLSRUSA-N 309.347 -0.441 30 20 DBED COC(=O)c1cc(S(=O)(=O)N2CC(O)(CC#N)C2)cn1C 440089339 QQFIBECDUHNNOY-UHFFFAOYSA-N 313.335 -0.539 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)Nc1ccn(CCN(C)C)n1 490717236 BVSSFZBVFOXRNP-UHFFFAOYSA-N 315.377 -0.132 30 20 DBED C#CCNC(=O)CCN1CC[C@@H](n2cc(C(=O)OC)nn2)C1 491202428 OEUOMEUDIRNBMA-LLVKDONJSA-N 305.338 -0.549 30 20 DBED Cn1c(N2C[C@@H]3[C@@H](C2)[C@H]2C=C[C@H]3O2)c(C#N)c(=O)n(C)c1=O 565726063 OENQWJYCBSBSIX-DDHJBXDOSA-N 300.318 -0.655 30 20 DBED CC(=O)NCCN(C)C(=O)C(=O)NCc1cccc(C#N)c1 567838157 QORJFZYGYWIEFG-UHFFFAOYSA-N 302.334 -0.231 30 20 DBED CCc1nc(C#N)cc(NCCCCn2cc(C(N)=O)nn2)n1 596280600 ZPVKOOHPHPTIQV-UHFFFAOYSA-N 314.353 0.493 30 20 DBED N#C[C@]1(NC(=O)[C@@H]2CCCN(S(N)(=O)=O)C2)CCSC1 597036384 QSYOMIYHGMKWSI-MWLCHTKSSA-N 318.424 -0.583 30 20 DBED N#Cc1ccc(NC(=O)C(=O)NC[C@@H]2COCCN2)cc1F 599898773 XAQKEXMKLWZXRG-LLVKDONJSA-N 306.297 -0.260 30 20 DBED C[C@@H]1CCN(C(=O)C(=O)N2CCN(CCC#N)CC2)C[C@@H]1CN 601580195 BWDLQPPXDOBVTD-KGLIPLIRSA-N 321.425 -0.512 30 20 DBED N#CCCN1CCN(C(=O)CN2CCCC[C@H](O)C2=O)CC1 602200326 KOYKUJYFXYQIOF-ZDUSSCGKSA-N 308.382 -0.582 30 20 DBED C[C@@H](CC#N)NC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C 604573394 PQFYLGIQUQJNHX-QMMMGPOBSA-N 303.322 -0.392 30 20 DBED CCOCCS(=O)(=O)NCC(=O)N[C@@]1(C#N)CCSC1 610712544 CKKFEWWRKWRWGA-LLVKDONJSA-N 321.424 -0.542 30 20 DBED CCOC(=O)[C@H](CO)NS(=O)(=O)c1cccc(CC#N)c1 619495038 HQBLUPRKDARVEJ-LBPRGKRZSA-N 312.347 -0.045 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C)C[C@@H]2CCOC2)C1=O 675358400 UIKAPXFTVODLLD-QWRGUYRKSA-N 323.349 -0.106 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@H]1CCN(CCN2CCOCC2)C1 685742514 GAXJXHZSCCODLA-HOCLYGCPSA-N 311.426 -0.164 30 20 DBED C=CCN(CCC(=O)NCC(=O)O)[C@H]1CCS(=O)(=O)C1 736108774 RVDSITNWKOVLAX-JTQLQIEISA-N 304.368 -0.748 30 20 DBED N#Cc1ccc(NC(=O)C(=O)N2CCO[C@H](C(=O)O)C2)cc1 739123734 SWECSQSFEAVEQD-NSHDSACASA-N 303.274 -0.191 30 20 DBED C#CCNC(=O)COC(=O)c1ccc(N)cc1-n1nnnc1C 745103772 MWMMAGOTBQRDRK-UHFFFAOYSA-N 314.305 -0.541 30 20 DBED C#CCOCCNC(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 753379714 TXQPKFOEXFAINY-ZDUSSCGKSA-N 309.366 -0.331 30 20 DBED C#C[C@H](NC(=O)C(=O)Nc1cc(OC)ncn1)[C@H]1CCCO1 773792043 DTCWTTFFHQUHIB-VHSXEESVSA-N 304.306 -0.279 30 20 DBED CN(CC(=O)NS(=O)(=O)CC(C)(C)C#N)C(=O)C1CC1 776135202 BKGGWFIAAXHTCJ-UHFFFAOYSA-N 301.368 -0.149 30 20 DBED C=CCNC(=O)CNC(=O)NCCNc1ccc(C#N)cn1 776896882 LYIPJIICFHIPDM-UHFFFAOYSA-N 302.338 -0.033 30 20 DBED C#Cc1cccc(NC(=O)C(=O)N2CC[C@@H](S(N)(=O)=O)C2)c1 784792743 LSXSUCWVQXFEJD-GFCCVEGCSA-N 321.358 -0.504 30 20 DBED CC(C)CN(CCC#N)C(=O)Cn1cc(S(N)(=O)=O)cn1 798321335 KWZGQWMRCXUDKO-UHFFFAOYSA-N 313.383 -0.071 30 20 DBED CC[C@]1(C)NC(=O)N(NS(=O)(=O)CC2(C#N)CC2)C1=O 808310412 YAFBUPYIGZXXLK-JTQLQIEISA-N 300.340 -0.155 30 20 DBED C#CC[C@H](CO)NC(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O 816669536 UNGTYPCRMMZKPJ-HWWQOWPSSA-N 321.377 -0.013 30 20 DBED C#CC[C@@H](CO)NC(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1 816675268 WWXVQGSGYPSBOJ-SMDDNHRTSA-N 314.345 -0.393 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N1C[C@H](CO)OC(C)(C)C1 817780987 GGTBDIZXLGGVJT-LLVKDONJSA-N 320.411 -0.232 30 20 DBED C[C@H](C#N)CN(C(=O)Cn1cnc(-c2nn[nH]n2)n1)C1CC1 824034169 HTBYBLBQHSCNJT-MRVPVSSYSA-N 301.314 -0.391 30 20 DBED COc1ccc(C(=O)N[C@@H]2CNC[C@@H]2C#N)cc1-n1cnnn1 834499820 NEABQAFSDRJHFV-WDEREUQCSA-N 313.321 -0.488 30 20 DBED C#CCN(CC(=O)NCCc1nc(N)n[nH]1)C(=O)OC(C)(C)C 854516313 DLXBKCQEKFFTPE-UHFFFAOYSA-N 322.369 -0.084 30 20 DBED CCOCCCNC(=O)[C@@H](C#N)C(=O)CN1CC(=O)N(C)C1=O 860462337 SQSKZIFUQZZYSR-JTQLQIEISA-N 324.337 -0.868 30 20 DBED C=C(Cl)C[C@@H](N)C(=O)N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 876702226 LVFDGPGGSTVWTF-NXEZZACHSA-N 314.773 -0.049 30 20 DBED C#CC1(O)CN(C(=O)[C@H](CO)NC(=O)c2ccc(F)cc2)C1 890526434 NRBJADLHFDVGSI-LBPRGKRZSA-N 306.293 -0.877 30 20 DBED C#CC[C@H](CO)NC(=O)NCCS(=O)(=O)N1CCCC1 897940991 JHSZLWVBIYJSGN-LLVKDONJSA-N 303.384 -0.905 30 20 DBED CC1=C(C)C(=O)N(CCC(=O)N2CCN(CC#N)CC2)C1=O 900777880 VWXFUPWCGQVKCP-UHFFFAOYSA-N 304.350 -0.251 30 20 DBED C#CCNCC(=O)NCC[C@](O)(c1nccn1C)C(F)(F)F 912292285 BBPLGOGNWNVPRS-LBPRGKRZSA-N 318.299 -0.101 30 20 DBED C#CCN1CCC[C@H](NC(=O)c2cnn(C[C@@H](O)CO)c2)C1 923557338 LXEYDNXOUSHNGI-UONOGXRCSA-N 306.366 -0.936 30 20 DBED C[C@@H](C#N)C(=O)N1CCCN(C(=O)c2nnc(O)nc2O)CC1 941729427 FUJYZZDIZPRMEZ-QMMMGPOBSA-N 320.309 -0.883 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)c3cnn[nH]3)C2)nc1 941879463 GQSWRKKUGIMVJQ-LLVKDONJSA-N 310.317 -0.175 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2cnc(O)n(C)c2=O)[C@@H](C)C1 942552236 CUTRBYZMPTVULH-AAEUAGOBSA-N 318.377 -0.051 30 20 DBED CN1CCOC[C@@H]1C(=O)NC[C@H]1CCCN1C(=O)C#CC1CC1 944008237 YSSGZBOHKVDESW-HUUCEWRRSA-N 319.405 -0.162 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2CN(C(=O)C(N)=O)CCO2)cc1 944698551 LNJSSAZVPAAUKK-CYBMUJFWSA-N 315.329 -0.890 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CNC(=O)[C@H]2CCNC2=O)CC1 949394547 VNSMXHCOPSAWFW-PWSUYJOCSA-N 306.366 -0.363 30 20 DBED CN(C(=O)[C@@H]1CNC(=O)N1)C1CCN(C(=O)C#CC2CC2)CC1 954245263 FXXOOZNKTSGKQC-ZDUSSCGKSA-N 318.377 -0.469 30 20 DBED C=C1CC(C)(C(=O)N2CC(N(C)C(=O)[C@H]3CNC(=O)N3)C2)C1 955151637 NWSSEEDBIVNUPQ-LLVKDONJSA-N 306.366 -0.307 30 20 DBED C#CCN1C[C@H](CNC(=O)c2ccn(CCN(C)C)n2)[C@@H](O)C1 958076364 DVJSNQSIWVQUCV-ZFWWWQNUSA-N 319.409 -0.900 30 20 DBED C=CCN1C[C@H](O)[C@H](CNC(=O)c2ccnc3[nH]nnc23)C1 958249254 SOIZGNCNEJKRMK-KOLCDFICSA-N 302.338 -0.439 30 20 DBED N#Cc1cc(C(=O)NC2[C@@H]3CN(CC(=O)NC4CC4)C[C@@H]23)c[nH]1 958618295 QXUZITYPCOWDCM-CHWSQXEVSA-N 313.361 -0.175 30 20 DBED Cc1nc(C)c(C(=O)N(C)[C@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)[nH]1 958967645 MPTOMIRUGWBVGM-ZHAHWJHGSA-N 319.365 -0.170 30 20 DBED C[C@@H](NC(=O)c1c[nH]c(C#N)c1)[C@H]1CCN(C(=O)C(N)=O)C1 959254722 DPPRGMVTJTUASJ-BDAKNGLRSA-N 303.322 -0.662 30 20 DBED C#CCCN1C[C@H]2C(NC(=O)c3cn(C)c(=O)nc3O)[C@@H]2C1 962531412 CZWWGDCFUKOWJG-NXEZZACHSA-N 302.334 -0.831 30 20 DBED CC#CCN1C[C@H]2[C@H](NC(=O)[C@@H]3COCCN3C(C)=O)[C@H]2C1 962620117 VOKJALQGVINEJN-LJISPDSOSA-N 305.378 -0.697 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)c1nccnc1N 964137753 SAUQQHUJXSEBIZ-UWVGGRQHSA-N 318.337 -0.824 30 20 DBED Cn1nnnc1CN[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 968340826 CJANLFQVVZDLFH-SNVBAGLBSA-N 300.326 -0.586 30 20 DBED C#CCCN1CC([C@H](C)NC(=O)[C@H]2CC(=O)N(CCOC)C2)C1 969790253 VORAVLOGGKCUIY-KBPBESRZSA-N 321.421 -0.059 30 20 DBED C[C@@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)[C@H]1CCN(C)C1=O)C2 969816600 DJHXFTBGKXGJSY-CYDGBPFRSA-N 318.377 -0.174 30 20 DBED COCc1nc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)co1 970241534 HRISLIOAPSABNF-KKZNHRDASA-N 322.321 -0.718 30 20 DBED C=CCN1CCO[C@]2(CCN(C(=O)C3CN(C(C)=O)C3)C2)C1 972357495 KUYAHTAMZWIEBR-MRXNPFEDSA-N 307.394 -0.046 30 20 DBED C#CCN1CCC(C(=O)NC[C@H]2[C@@H]3CN(CCO)C[C@H]23)CC1 979085256 FXKQWKJYNVUMQA-PHZGNYQRSA-N 305.422 -0.382 30 20 DBED C#CCN1C[C@H]2C[C@@H](NC(=O)CN3CCOCC3=O)CC[C@H]2C1 979798879 VZDMPRQCBJWFSV-ZNMIVQPWSA-N 319.405 -0.305 30 20 DBED C#CCN1CCCC2(C1)CN(C(=O)c1cn(C)c(=O)n1C)C2 982166663 JTTQGMPGJQUIFO-UHFFFAOYSA-N 302.378 -0.105 30 20 DBED C[C@@H]1[C@H](NCC#N)CCN1C(=O)c1cnn2c(=O)cc[nH]c12 987136965 MGFIBOAZZJKRQU-MWLCHTKSSA-N 300.322 -0.261 30 20 DBED COc1c(O)nc(O)nc1C(=O)N1CC[C@H](NCC#N)[C@@H]1C 987347789 BGQAKIVOSXQFJV-YUMQZZPRSA-N 307.310 -0.387 30 20 DBED C=C(C)CN[C@H]1C[C@H](C)N(C(=O)CN2CCN(C)C(=O)C2)C1 989066764 CJJWOMIKLMBKDG-KBPBESRZSA-N 308.426 -0.085 30 20 DBED N#Cc1ccc(C(=O)N2CC(NC(=O)c3ccc(O)nn3)C2)[nH]1 990148361 ZKYMJWKBRAORPB-UHFFFAOYSA-N 312.289 -0.364 30 20 DBED C#Cc1cncc(C(=O)NCC2CC(NC(=O)C(N)=O)C2)c1 992377669 QERWMYDELBVTTR-UHFFFAOYSA-N 300.318 -0.827 30 20 DBED C#CCCN1CCC[C@@H](NC(=O)Cn2c(O)nnc2O)[C@@H]1C 994294588 HLJMAYAZFDBTHY-WDEREUQCSA-N 307.354 -0.318 30 20 DBED C=C(C)CN[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)CC1(C)C 995979190 MTMJMYURDCWTJD-GFCCVEGCSA-N 307.398 -0.016 30 20 DBED C=CCCn1cc(C(=O)NC2CCN([C@H](C)C(N)=O)CC2)nn1 1003765942 BMVVZKRCUAZDDN-LLVKDONJSA-N 320.397 -0.078 30 20 DBED C[C@H](NC(=O)c1cnnn1C)C1CN(C(=O)C#CC2CC2)C1 1005995619 IHCRTTVJNASOOU-JTQLQIEISA-N 301.350 -0.195 30 20 DBED N#CCN1CCC[C@@H](NC(=O)Cn2nc3n(c2=O)CCCC3)C1 1009124025 QVADLKCZFITQNP-GFCCVEGCSA-N 318.381 -0.515 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CCN([C@@H]3CCCNC3=O)C2)c[nH]1 1010685859 AYGXYUSFODJJOC-DGCLKSJQSA-N 301.350 -0.031 30 20 DBED CN1CC[C@@H](CC(=O)N2CCN(C(=O)C#CC3CC3)CC2)C1=O 1011110099 LYLQUEHGLVIXAL-AWEZNQCLSA-N 317.389 -0.061 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)C(N)=O)[C@H]2C)cn1 1012018312 ZSMMUDUWEHRRPT-CABZTGNLSA-N 300.318 -0.733 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2C(NC(=O)c3ccc(=O)n(C)c3)[C@H]2C1 1013384645 HNTKBWOMEAPKBA-USWWRNFRSA-N 314.345 -0.268 30 20 DBED C#CCCN1CC[C@H](NC(=O)[C@H]2C[C@H](OC)CN2C(C)=O)C1 1015403436 GGBGMLDRSXQNBS-SOUVJXGZSA-N 307.394 -0.164 30 20 DBED Cc1c(C(=O)N2CCC3(C2)CN(C(=O)[C@@H](C)C#N)C3)nnn1C 1019361849 SSSQPKMHTSSRFK-JTQLQIEISA-N 316.365 -0.042 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](NCCN2CCNC2=O)C1 1019405411 GRWAROYAWJMWEJ-MJBXVCDLSA-N 322.409 -0.207 30 20 DBED C=CCN1CC[C@H](N[C@H]2C[C@H](NC(=O)c3cnon3)C2)C1=O 1020783383 IEMCPIUJHUNSMW-DCAQKATOSA-N 305.338 -0.293 30 20 DBED C#CCN1[C@H]2CC[C@H]1CC(NC(=O)CN1CCNC(=O)C1)C2 1021348061 WBNKTHREEHWHSM-KBPBESRZSA-N 304.394 -0.837 30 20 DBED N#Cc1c[nH]c(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cocn3)C2)c1 1023195022 BHCQMRNBQVRDIT-ZYHUDNBSSA-N 315.289 -0.510 30 20 DBED C=CCN1CC[C@H](NC[C@@H]2CCN(C(=O)c3cnn[nH]3)C2)C1=O 1026937756 ZTNAXSICENEVDL-RYUDHWBXSA-N 318.381 -0.357 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)c3n[nH]c(C)c3O)C2)C1=O 1030222062 DRQPVTJOCFSPPG-NSHDSACASA-N 319.365 -0.375 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)c3cnn(C)c3N)C2)C1=O 1030242870 OHGSTKSTFLYXQX-LBPRGKRZSA-N 318.381 -0.797 30 20 DBED C=CCCn1cc(C(=O)NC2CN(Cc3cn(C)nn3)C2)nn1 1031079965 RGZDAASJFSWQOY-UHFFFAOYSA-N 316.369 -0.403 30 20 DBED CC#CCN1CCCC[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 1034246403 GAAQUVQJPYCPCZ-NEPJUHHUSA-N 306.366 -0.422 30 20 DBED CC#CCN1CCO[C@H](CNC(=O)c2cnc(N(C)C)cn2)C1 1035371303 RTAORMLCAIEVGD-CYBMUJFWSA-N 317.393 -0.004 30 20 DBED C=CCCN1C[C@H]2C[C@H]1[C@H]2NC(=O)CN1CCN(C)C(=O)C1 1037462089 AGMFFSBECMSUEY-WWGRRREGSA-N 306.410 -0.475 30 20 DBED Cn1nnnc1CN1CC[C@@H]1CNC(=O)c1c[nH]c(C#N)c1 1038175604 QSFIPBGKVWHXFU-LLVKDONJSA-N 300.326 -0.586 30 20 DBED N#Cc1cnc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCO3)C2)c(F)c1 1040898180 JTGMNCVPNQTAOI-JHJVBQTASA-N 320.324 -0.063 30 20 DBED Cc1nc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3CCOC3)C2)ccc1C#N 1040938475 GJIAULQGGXFJDF-BFHYXJOUSA-N 316.361 -0.036 30 20 DBED CC(C)(O)CC(=O)N1CC(O)(CNC(=O)c2cc(C#N)c[nH]2)C1 1042392420 RGAFKBOIBDWALG-UHFFFAOYSA-N 320.349 -0.650 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)[C@H]3C[C@@H]3C(F)F)C2)nn1 1043923106 MRQIAUMANFGXLW-MMWGEVLESA-N 323.303 -0.085 30 20 DBED CC#CCCCC(=O)NCC1(O)CN(C(=O)CNC(C)=O)C1 1045002775 FSDGNATUZMZHRR-UHFFFAOYSA-N 309.366 -0.994 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)C[C@@](C)(O)C2CC2)C1 1045541224 RKJFUHCPHIKXQH-QMTHXVAHSA-N 309.366 -0.613 30 20 DBED C#CCN1CC[C@H](N2CCN(C(=O)[C@]3(C)CCNC3=O)CC2)C1 1046060959 GMLLRUFVBZAOSH-WMLDXEAASA-N 318.421 -0.636 30 20 DBED CC#CCN1CC[C@@](C)(NC(=O)c2cnc(O)n(C)c2=O)C1 1046536519 VQTYLWBNOHHENS-OAHLLOKOSA-N 304.350 -0.297 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)Cc2cnc[nH]2)C1 1047172471 SZIFDMFEYYYUHW-UHFFFAOYSA-N 304.350 -0.699 30 20 DBED CN(C(=O)c1c[nH]c(C#N)c1)[C@H]1CN(Cc2cnon2)C[C@@H]1O 1047353010 ULTSHULRJBKDEL-STQMWFEESA-N 316.321 -0.413 30 20 DBED COCCn1cc(C(=O)N(C)[C@H]2CN(CC#N)C[C@@H]2O)c(C)n1 1047380123 BNGDVQPHKXPJDX-KBPBESRZSA-N 321.381 -0.521 30 20 DBED CN(C(=O)c1cn2cccnc2n1)[C@H]1CN(CC#N)C[C@@H]1O 1047441391 CKNPMDWPGHIJLL-RYUDHWBXSA-N 300.322 -0.630 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC(=O)N2)C1 1047602584 USAKUZRZZQLWLL-DCAQKATOSA-N 301.774 -0.479 30 20 DBED C=CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3nncn3C2)C1 1047639153 NSOYYJXUFWERAC-RDBSUJKOSA-N 319.409 -0.080 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2COC(=O)N2)C1 1048769666 OLXMOGIWKPLNKF-VWYCJHECSA-N 311.338 -0.909 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CC(C)(C)O)C1 1048769919 VRPRGUAGXYMZGL-STQMWFEESA-N 310.394 -0.163 30 20 DBED N#Cc1nc(=NC2CC(CNC(=O)c3nccnc3N)C2)cc[nH]1 1051883475 IDIIPAUHEGZZPY-UHFFFAOYSA-N 324.348 -0.237 30 20 DBED C[C@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1CNC(=O)CSCC#N 1053160872 MFKHTBQGHJIDAY-VHSXEESVSA-N 322.394 -0.114 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC2(CN(CC(=O)N3CCC3)C2)C1 1053193942 WSLQHHQRIAJOHP-LBPRGKRZSA-N 306.366 -0.708 30 20 DBED COc1cncc(C(=O)NC[C@@H]2CCC3(CN(CC#N)C3)O2)n1 1053673596 CYNRJAVHYMWKHE-NSHDSACASA-N 317.349 -0.028 30 20 DBED C=C(Cl)CN1CC2(C[C@@H](NC(=O)[C@H]3CNC(=O)N3)CO2)C1 1053909063 BFTHHFOKUPPKIQ-NXEZZACHSA-N 314.773 -0.620 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)c3c[nH]c(C)cc3=O)CO2)C1 1053972650 IWNYKGDCBVEUPD-LBPRGKRZSA-N 301.346 -0.110 30 20 DBED C=C[C@](C)(CC)C(=O)NC1CCN(CCNC(=O)C(N)=O)CC1 1055628981 LKKLMEPQRCSWFS-MRXNPFEDSA-N 324.425 -0.229 30 20 DBED C=CCOCC(=O)N[C@@]1(CO)CCCN(C(=O)[C@H](C)C#N)C1 1055831353 LYDJYRZYWGKDEB-DOMZBBRYSA-N 309.366 -0.182 30 20 DBED C=CCOCC(=O)N[C@]1(CO)CCCN(C(=O)C(F)F)C1 1055832129 UWGHHRFSIAQOQM-CYBMUJFWSA-N 306.309 -0.076 30 20 DBED Cn1ccc(C(=O)N(CCO)CCNC(=O)C#CC2CC2)c1 1057342958 UEKQRQNMJWMFIH-UHFFFAOYSA-N 303.362 -0.011 30 20 DBED Cc1[nH]nc(C(=O)NCCN(CCO)C(=O)C#CC2CC2)c1O 1057531746 XPKZYYVRMTWQMN-UHFFFAOYSA-N 320.349 -0.612 30 20 DBED Cn1nnc(C(=O)NC2CCN(c3cnc(C#N)cn3)CC2)n1 1057927822 QFBZHZKHGJPDOD-UHFFFAOYSA-N 313.325 -0.729 30 20 DBED C=CCCCC(=O)NCCN(CCO)C(=O)CCCC(N)=O 1057989095 BQGIWGBXAOOIIQ-UHFFFAOYSA-N 313.398 -0.065 30 20 DBED C=C(C)C[C@@H](C)C(=O)NCCN(CCO)C(=O)c1nnn(C)n1 1058421878 KVVWZEQNGAGFIN-LLVKDONJSA-N 324.385 -0.637 30 20 DBED C=C[C@@H](CC)CC(=O)N(CCO)CCNC(=O)c1cn(C)nn1 1058468826 RWERHLRHDAWVHQ-LBPRGKRZSA-N 323.397 -0.032 30 20 DBED Cn1cc(C(=O)N[C@@H]2CCN(c3nccnc3C#N)C2)nc1O 1058533072 STQLOWVGYBZKMB-SECBINFHSA-N 313.321 -0.204 30 20 DBED C#CCNC(=O)CC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H](C)CC 1061313525 GKWUAUVUJNREMV-STQMWFEESA-N 323.393 -0.484 30 20 DBED C=CCCC(=O)NC[C@@H]1COCCN1C(=O)CN1CCCC1=O 1061396606 KDFCWVSACQBWKW-CYBMUJFWSA-N 323.393 -0.081 30 20 DBED C=CCCC(=O)NC[C@H]1COCCN1C(=O)[C@H]1CCC(=O)NC1 1061402484 UHASMKYDHDJTMU-STQMWFEESA-N 323.393 -0.178 30 20 DBED CC(C)C#CC(=O)NC[C@H]1COCCN1C(=O)CCCC(N)=O 1061568096 ATGOWRQRVDEOIG-ZDUSSCGKSA-N 323.393 -0.355 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)CCCCC(N)=O 1061902414 NPGCWWDSMYVEQH-NEPJUHHUSA-N 324.381 -0.465 30 20 DBED Cn1nnc(C(=O)N2C[C@@H]3CC[C@H](C2)N3c2ccncc2C#N)n1 1062015346 KVXQFRHZNYKWMG-TXEJJXNPSA-N 324.348 -0.030 30 20 DBED N#Cc1cnc(N2[C@H]3CC[C@H]2CN(C(=O)c2cnn[nH]2)C3)cn1 1062055104 YMSDBLFVPYUNDG-QWRGUYRKSA-N 310.321 -0.040 30 20 DBED Cc1ccc(C#N)c(N2C[C@@H]3C[C@H]2CN3C(=O)Cn2ncnn2)n1 1062531893 YKZZGANBZRRFKC-STQMWFEESA-N 324.348 -0.262 30 20 DBED CN(C(=O)c1nnn(C)n1)[C@H]1CCN(c2ncccc2C#N)C1 1063012153 BQSGKKKGQRRDJA-NSHDSACASA-N 312.337 -0.172 30 20 DBED Cc1cc(C(=O)N2CCO[C@H](CNC(=O)[C@@H](C)C#N)C2)cnn1 1065085113 GJERTCSWZUGNHZ-GXFFZTMASA-N 317.349 -0.098 30 20 DBED C#CCOCCC(=O)N1CCO[C@@H](CNC(=O)C(F)F)C1 1065150287 OQKGWQIGQPWBQS-JTQLQIEISA-N 304.293 -0.365 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)Cn2cncn2)CCO1 1065639352 VYZZLVRDXKXMOL-ZDUSSCGKSA-N 319.365 -0.575 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)Cc2nc[nH]n2)CCO1 1065641334 ALJYLUUBDLOCMH-NSHDSACASA-N 307.354 -0.343 30 20 DBED N#Cc1cncc(NC[C@H]2CC[C@H](NC(=O)C(N)=O)CC2)n1 1066444134 RKJWMEPADXUJKF-MGCOHNPYSA-N 302.338 -0.080 30 20 DBED CO[C@H](C)C(=O)N1CCO[C@@H](CN=c2cc[nH]c(C#N)n2)C1 1066585359 ZMRWSGITBOAABM-MNOVXSKESA-N 305.338 -0.556 30 20 DBED N#Cc1ccc(N2C[C@H]3C[C@H](NC(=O)C(N)=O)CC[C@H]3C2)nn1 1068268151 WVDGPZOAMWMCHY-HBNTYKKESA-N 314.349 -0.445 30 20 DBED C#CCCCC(=O)N1CC2(CC[C@@H](CNC(=O)CC(N)=O)O2)C1 1068543896 SIEYDMWJTQENGN-LBPRGKRZSA-N 321.377 -0.459 30 20 DBED N#Cc1cnc(NC[C@H]2C[C@H](NC(=O)[C@H]3CCNC3=O)C2)cn1 1068562130 ZGCXYAYBHLQXCY-NHCYSSNCSA-N 314.349 -0.209 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1COC2(C1)CN(C(=O)c1cnnn1C)C2 1069004312 VKIVCVUNDHAICR-UWVGGRQHSA-N 318.337 -0.926 30 20 DBED N#CCN1CCn2ncc(CNC(=O)[C@H]3CCCNC3=O)c2C1 1069863964 RYCQXFSRGBSJII-LBPRGKRZSA-N 316.365 -0.635 30 20 DBED C#CCN1CCn2ncc(CNC(=O)[C@H]3CCN(C)C3=O)c2C1 1069870464 XBCOYBZRMQJPSK-CYBMUJFWSA-N 315.377 -0.574 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2ccc(C#C)nc2)C1 1070078835 RTSPJEVDQXLTDX-CVEARBPZSA-N 320.356 -0.057 30 20 DBED CC#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H]2CCN(C)C2)C1 1070097166 FOWGOIDYIXPKPE-KFWWJZLASA-N 316.409 -0.405 30 20 DBED C#CCN[C@@H]1CN(C(=O)Cc2cc(C)[nH]n2)C[C@@H]1n1ccnn1 1070174545 UKSUSTHKEASWQV-KGLIPLIRSA-N 313.365 -0.473 30 20 DBED CC(C)C#CC(=O)N1CCC[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 1070705880 PJVUXKPIWNKLAM-UPJWGTAASA-N 305.378 -0.126 30 20 DBED CCn1nncc1C(=O)N1CCC(=O)NCCN(CC#N)CC1 1070961548 UHIGNZFDIMEWIX-UHFFFAOYSA-N 319.369 -0.914 30 20 DBED C#CCN1CC[C@@]2(C1)CN(C(=O)c1cnnn1C)C[C@H](C)O2 1071167233 VPDMMUNXIMNANS-SWLSCSKDSA-N 303.366 -0.246 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@@H]1C 1071742090 SFMXTBNSZIGEMS-WDEREUQCSA-N 318.395 -0.803 30 20 DBED C=CCCOCC(=O)N1C[C@H](C)[C@@H](NC(=O)Cn2cncn2)C1 1072337449 SLCKSRHGLQQTGE-STQMWFEESA-N 321.381 -0.166 30 20 DBED C[C@H](C#N)C(=O)N1CCC(C)(NC(=O)Cn2nccn2)CC1 1073228630 FIRWMHCWZRUVKX-LLVKDONJSA-N 304.354 -0.065 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)c3cn(C)c(O)n3)C[C@@H]21 1074332510 YUMMDIQJPGTUIM-QWHCGFSZSA-N 304.350 -0.326 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CCN(C(=O)Cc2ncc[nH]2)CC1 1074693014 WIOXFHSLHOXXGQ-LLVKDONJSA-N 319.365 -0.418 30 20 DBED CC(C)C#CC(=O)N[C@H]1CCN(C(=O)Cn2ncnn2)[C@@H](C)C1 1074977116 JQGGVCAOIIGUER-STQMWFEESA-N 318.381 -0.172 30 20 DBED C[C@@H](CCNC(=O)[C@H]1CCC(=O)N1)NC(=O)c1ccc(C#N)[nH]1 1075927148 UXTOSKNWDWUJFY-GXSJLCMTSA-N 317.349 -0.210 30 20 DBED N#CCN1C[C@@H]2CCN(C(=O)[C@H]3CCc4nnc(O)n4C3)[C@@H]2C1 1075964686 FLVGZOLLUYGIGL-SDDRHHMPSA-N 316.365 -0.398 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)CN1CCCC1 1076594434 PWSYJUCMKKQVBW-ZDUSSCGKSA-N 322.409 -0.767 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2ccc(CCC(N)=O)cc2)C1 1077650849 CZOARMZWKVHVBR-HUUCEWRRSA-N 315.373 -0.487 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCN2C(C)=O)C1 1078243414 KCUUDRRVWWWBTD-JHJVBQTASA-N 315.801 -0.089 30 20 DBED C#CCNC(=O)CC(=O)N1CC(N(CC)C(=O)[C@@H](CC)OC)C1 1079448928 XFOUTCASUCDZKG-CYBMUJFWSA-N 323.393 -0.390 30 20 DBED CCN(C(=O)[C@@]1(C)CNC(=O)C1)C1CN(C(=O)[C@H](C)C#N)C1 1080121611 HTRUUKQTEZIONX-MEBBXXQBSA-N 306.366 -0.268 30 20 DBED C=CCCOCC(=O)N1CC(N(CC)C(=O)[C@@H]2CCNC2=O)C1 1080216262 PBHXDJFCYQZFPT-CYBMUJFWSA-N 323.393 -0.226 30 20 DBED CCN(C(=O)C(=O)NCC1CC1)C1CN(C(=O)[C@@H](C)C#N)C1 1080372032 ZAWWLNJFIPDXRJ-JTQLQIEISA-N 306.366 -0.268 30 20 DBED C=CCOCC(=O)N1CCC(CO)(NC(=O)C(F)F)CC1 1080652994 FDCHXPGATZERTF-UHFFFAOYSA-N 306.309 -0.076 30 20 DBED C=CCCC(=O)NC1(CO)CCN(C(=O)c2ncn(C)n2)CC1 1080766933 MAMWICDHSGENKF-UHFFFAOYSA-N 321.381 -0.135 30 20 DBED C[C@@H](C#N)C(=O)NC1(CO)CCN(C(=O)[C@H]2CCCO2)CC1 1080981774 LSRQQPKMQZTUFD-NWDGAFQWSA-N 309.366 -0.205 30 20 DBED CC(=O)N(C)CC(=O)NC[C@H]1CN(C(=O)C#CC(C)C)C[C@H]1O 1081290190 UKFUVWHICROFMX-UONOGXRCSA-N 323.393 -0.940 30 20 DBED Cc1ocnc1C(=O)N1C[C@H](CNC(=O)C#CC2CC2)[C@@H](O)C1 1081471146 JTDXNDLKHBREES-STQMWFEESA-N 317.345 -0.054 30 20 DBED Cc1c[nH]c(C(=O)N2C[C@H](CNC(=O)C#CC3CC3)[C@@H](O)C2)n1 1081474545 RPALAYFBWMGTQD-STQMWFEESA-N 316.361 -0.319 30 20 DBED C=CCC1(C(=O)N2C[C@@H](O)[C@H](CNC(=O)C(N)=O)C2)CCC1 1081718855 JDWVULIJSQWJAN-GHMZBOCLSA-N 309.366 -0.846 30 20 DBED C=C(C)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)CN1CCOCC1=O 1083106857 ZAZZRQVOSMOHEY-UONOGXRCSA-N 323.393 -0.667 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)c2cnc3nccnc3c2)C1 1083531273 GEQPZEJXRABGPD-KGLIPLIRSA-N 311.345 -0.177 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)C1 1084046209 XDLJPVLRXAQYCY-CFVMTHIKSA-N 319.405 -0.428 30 20 DBED C=CCN1CC[C@H](NCc2cc(O)nc(CNC(C)=O)n2)C1=O 1087253292 FKNVJNYPKBWKDJ-LBPRGKRZSA-N 319.365 -0.305 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2cc(CN(C)C)on2)[C@@H](O)C1 1090383017 WCQUWIPCMCGADF-ZFWWWQNUSA-N 320.393 -0.076 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2cn(CCC)nn2)[C@H](O)C1 1090685398 IIBWODLCLSMLFT-GXTWGEPZSA-N 305.382 -0.124 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2c(OC)ccnc2O)[C@@H](O)C1 1090730341 KETNEQYMTZTGTR-NEPJUHHUSA-N 319.361 -0.016 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2ccc3nnn(C)c3c2)[C@H](O)C1 1090760318 ORICXMWFMDYAFH-UKRRQHHQSA-N 313.361 -0.234 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2ccc(NC(N)=O)cc2)[C@H](O)C1 1090783235 LCWIZJCQDXFFJF-CHWSQXEVSA-N 317.349 -0.134 30 20 DBED CO[C@@H](C)C(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1OC 1090864997 PQQIYNDHYLKQPL-MVWJERBFSA-N 305.338 -0.297 30 20 DBED C=CCCC(=O)N[C@@H]1CN(c2nccn3nnnc23)C[C@@H]1O 1091074714 HEBIEFISQKDTMP-ZJUUUORDSA-N 303.326 -0.849 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@@H]1O 1091091705 CKUFPXFWSHMKCT-INWMFGNUSA-N 316.361 -0.054 30 20 DBED C=CCOCC(=O)NC1[C@@H]2CN(c3nccn4nnnc34)C[C@@H]12 1093223076 QBYHVOAOWGTKKR-NXEZZACHSA-N 315.337 -0.727 30 20 DBED CNC(=O)CC(=O)N[C@H]1[C@@H]2CN(c3ccnc(C#N)n3)C[C@@H]21 1093242295 RVYLQPZOMBEPPA-QRJZZWFUSA-N 300.322 -0.965 30 20 DBED CN(CCCNC(=O)Cn1cnnc1O)c1ncccc1C#N 1095541254 NVTMRLWEORBQDC-UHFFFAOYSA-N 315.337 -0.107 30 20 DBED N#Cc1cncc(N2CCCC[C@H]2CNC(=O)CNC(N)=O)n1 1097392550 GSCRGAAEDIAHGK-NSHDSACASA-N 317.353 -0.508 30 20 DBED C=CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C1CC2(C1)NC(=O)NC2=O 1098021495 PLJAGQUDPNSACL-ZTTGAQHXSA-N 318.377 -0.118 30 20 DBED C[C@H](CNC(=O)C[C@@H]1CCNC1=O)N=c1cc[nH]c(C#N)n1 1098097631 JMCZLUWVIKRTLT-ZJUUUORDSA-N 302.338 -0.787 30 20 DBED C[C@@H](CNC(=O)C(=O)NCC(F)F)Nc1cnc(C#N)cn1 1098134781 FJDVQYAXFVQDAT-ZETCQYMHSA-N 312.280 -0.354 30 20 DBED CCn1cc(CC(=O)NC[C@H](C)N=c2cc[nH]c(C#N)n2)nn1 1098433823 YOTKFHMCFOFBHC-JTQLQIEISA-N 314.353 -0.459 30 20 DBED CC(=O)NCC(=O)N1CC[C@H](CN=c2cc[nH]c(C#N)n2)C1 1098496582 PXWTZXCNPZUSGG-LLVKDONJSA-N 302.338 -0.833 30 20 DBED C#CCNCc1cn([C@H]2CCN(C(=O)CC(=O)NCC)C2)nn1 1098662181 YMDYYZHYSMYKTM-ZDUSSCGKSA-N 318.381 -0.700 30 20 DBED C=CCN[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1C(F)(F)F 1099251564 SEYYOBOZFKDNRH-RKDXNWHRSA-N 304.276 -0.162 30 20 DBED C#CCCCC(=O)N[C@H]1CCN(Cc2nc(O)n[nH]2)C[C@@H]1O 1099803762 CXHFOFUQYWUMBR-QWRGUYRKSA-N 307.354 -0.635 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)C(C)=C2CCC2)[C@H](O)C1 1099811945 AGTKNJVVKVCIIL-LSDHHAIUSA-N 319.405 -0.212 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CCN(Cc2nc(O)n[nH]2)C[C@@H]1O 1099821239 SEYWJVCXFYYBIK-MNOVXSKESA-N 307.354 -0.779 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CCc2cnn(C)n2)[C@@H](O)C1 1100009490 ZASMOYMXPBOTOL-KGLIPLIRSA-N 305.382 -0.678 30 20 DBED Cc1cc(C#N)nc(N(C)CCNC(=O)c2cnnn2C)n1 1100049342 BNZSNABLGRNNIJ-UHFFFAOYSA-N 300.326 -0.349 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)c2cn(CC)nn2)[C@@H](O)C1 1100053185 LKMMTGDFILZQOR-JSGCOSHPSA-N 323.397 -0.334 30 20 DBED CN(CCNC(=O)CCCCNC(N)=O)c1cncc(C#N)n1 1100215771 GENFQISCRJYLRY-UHFFFAOYSA-N 319.369 -0.261 30 20 DBED CCC(=O)NCC(=O)NC[C@H]1CCCN1c1nccnc1C#N 1100809859 JXICJZJSKYVCTB-LLVKDONJSA-N 316.365 -0.041 30 20 DBED COCC#CCN1C[C@@H]2CN(C(=O)c3cnn[nH]3)C[C@]2(C)C1 1101289597 XQCMPNVJTFEWPA-DOMZBBRYSA-N 303.366 -0.152 30 20 DBED C=CCO[C@@H](C)C(=O)N(C)CCNc1nccn2nnnc12 1101668502 TUSSPDLXJLEXCZ-JTQLQIEISA-N 305.342 -0.019 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1CNC(=O)CCNS(C)(=O)=O 1102016985 YTGVINMTDBQTEE-GHMZBOCLSA-N 302.400 -0.867 30 20 DBED C#CCCN1C[C@@H](C)[C@H](CNC(=O)C[C@H](NC(C)=O)C(N)=O)C1 1102439174 VWDMGRRPWYSYPH-BNOWGMLFSA-N 322.409 -0.926 30 20 DBED C[C@H](NC(N)=O)C(=O)N(C)[C@@H]1CCN(c2nccnc2C#N)C1 1102697745 NGAFNAPCKGFKKY-VHSXEESVSA-N 317.353 -0.558 30 20 DBED N#Cc1nccnc1N1CCCC[C@H](NC(=O)CC(N)=O)C1 1102863250 RFSZIBIHVLGGEL-JTQLQIEISA-N 302.338 -0.301 30 20 DBED N#Cc1nccnc1N1CCCC[C@@H](NC(=O)CC(N)=O)C1 1102863251 RFSZIBIHVLGGEL-SNVBAGLBSA-N 302.338 -0.301 30 20 DBED CC[C@@H](CNC(=O)c1cnc(O)n1C)N=c1cc[nH]c(C#N)n1 1103259169 FPRRPKIJNUUNMC-VIFPVBQESA-N 315.337 -0.170 30 20 DBED C#CCNC(=O)CNCC[C@@H]1CN(C(=O)COCC)C[C@H]1C 1103841939 PWFKYOWZUDQQCA-ZIAGYGMSSA-N 309.410 -0.154 30 20 DBED CC(C)[C@@H](CNC(=O)c1nc[nH]n1)N=c1cc[nH]c(C#N)n1 1105211967 SVFUAELPAPFBGM-SECBINFHSA-N 300.326 -0.245 30 20 DBED C#CCNCc1cn(C2CN(C(=O)CO[C@H]3CCOC3)C2)nn1 1105238399 YIOVPQKKFWLFSC-AWEZNQCLSA-N 319.365 -0.810 30 20 DBED N#Cc1cccnc1NC[C@H](O)CNC(=O)c1ccc(O)nn1 1105735720 YBQHUXOTNXDJSW-JTQLQIEISA-N 314.305 -0.348 30 20 DBED C=CCOCC(=O)NC[C@@H](O)CN=c1ccc2ncc[nH]c-2n1 1105747582 JVRKYOJFPXQOOX-NSHDSACASA-N 317.349 -0.510 30 20 DBED Cn1nccc1C(=O)NC[C@H](O)CNc1cncc(C#N)n1 1105779669 HJHZQGILZQYYTN-SNVBAGLBSA-N 301.310 -0.715 30 20 DBED Cn1ncc(C(=O)NC[C@H](O)CNc2ccc(C#N)cn2)c1N 1105800268 LEBUXDUOXMFLNT-SNVBAGLBSA-N 315.337 -0.528 30 20 DBED CCn1ncc(C(=O)NC[C@@H](O)CNc2cncc(C#N)n2)n1 1105822928 WSKQODBZLZSBGJ-JTQLQIEISA-N 316.325 -0.838 30 20 DBED N#Cc1cccnc1NC[C@H](O)CNC(=O)CO[C@H]1CCOC1 1105973533 YTTCRTCWKJMTRK-OLZOCXBDSA-N 320.349 -0.352 30 20 DBED Cc1nc(O)[nH]c1C(=O)NC[C@H](O)CNc1nccnc1C#N 1106001371 UPYUEBLKGOKLLJ-MRVPVSSYSA-N 317.309 -0.712 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H](C)CCNc1nccn2nnnc12 1106441713 DOWSBUVKLHEVIY-QWRGUYRKSA-N 317.353 -0.136 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)c1ccc(O)nn1 1106675210 MSEBBOBUYCEHJB-UHFFFAOYSA-N 313.321 -0.160 30 20 DBED COCCO[C@H](C)C(=O)NC/C=C/CN=c1cc[nH]c(C#N)n1 1107338231 RJZYZJOYIPCMQH-AAOUONPWSA-N 319.365 -0.094 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)c1c[nH]c(C(N)=O)c1 1108391604 ICPIJJWTCVPEFB-QMMMGPOBSA-N 313.321 -0.572 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CC(=O)N(C2CN(Cc3ccon3)C2)C1 1108528384 WFUVKCBIOZQESB-PWSUYJOCSA-N 317.349 -0.264 30 20 DBED N#CCN1CC(N2C[C@H](NC(=O)C3(C(F)F)CC3)CC2=O)C1 1108544790 KFIOIYBOLABTME-SECBINFHSA-N 312.320 -0.043 30 20 DBED C[C@@H](CNc1cnc(C#N)cn1)NC(=O)[C@@H]1CCCNC1=O 1108570384 JJRWJXMJJFHATM-GXSJLCMTSA-N 302.338 -0.209 30 20 DBED C[C@@H](CNc1cncc(C#N)n1)NC(=O)[C@@H]1CN(C)C(=O)N1 1108634980 DAXOMDQZLDLPPI-WPRPVWTQSA-N 303.326 -0.712 30 20 DBED C[C@@H](CNc1ccc(C#N)nn1)NC(=O)[C@H]1CCC(=O)N1C 1108662892 SYTLRKKTIIYJEY-GXSJLCMTSA-N 302.338 -0.114 30 20 DBED CC(C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1109215406 CUCQSYYFBNVPGI-WOPDTQHZSA-N 308.382 -0.491 30 20 DBED CN1CCO[C@@H](C(=O)NCC2(Nc3cncc(C#N)n3)CC2)C1 1110091937 YVZPNRCXLVUHBY-GFCCVEGCSA-N 316.365 -0.260 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC#CCOC 1110461643 BVDKOYDBYLJRPI-KFWWJZLASA-N 317.389 -0.503 30 20 DBED CNC(=O)CC(=O)N1CCC[C@H]1CNc1cncc(C#N)n1 1110539854 ODXRCAIPMRRPLL-NSHDSACASA-N 302.338 -0.113 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)[C@H]1CN(c2cc(C)ncn2)C[C@@H]1O 1111190880 WMUXKOZSQCFFPS-IHRRRGAJSA-N 318.377 -0.169 30 20 DBED CSCCC(=O)N(CCO)CCN=c1cc[nH]c(C#N)n1 1111412967 NWFLBKWUGJPKRB-UHFFFAOYSA-N 309.395 -0.244 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)COC)C1 1111657176 FXHUEFLSAORGOZ-ZQIUZPCESA-N 321.421 -0.011 30 20 DBED CC(C)(O)CC(=O)NC[C@@H]1COCCN1c1ccnc(C#N)n1 1111677339 AYTDMNFRYBKAGF-LLVKDONJSA-N 319.365 -0.169 30 20 DBED CN(CCCN(C)c1ccncc1C#N)C(=O)[C@H]1CNC(=O)N1 1112168320 HYWMOILBJKOZFE-GFCCVEGCSA-N 316.365 -0.081 30 20 DBED CCCCNC(=O)NC(=O)CN1CCN(C(=O)[C@@H](C)C#N)CC1 1112718679 POJQABOJUVHIMA-LBPRGKRZSA-N 323.397 -0.084 30 20 DBED C=CCCOCC(=O)NC[C@@H]1CN(c2ncccn2)C[C@@H]1O 1112731809 UXCRDVBHRYHRGL-OLZOCXBDSA-N 306.366 -0.017 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@@H](C)n2cccc2)CC1 1112768052 OPCFCEHVSJXCSV-CQSZACIVSA-N 302.378 -0.057 30 20 DBED COCC#CCN1CCN(C(=O)[C@@H]2CN3CCC[C@H]3CO2)CC1 1112868285 LEBJDLJLJPUZIX-HOTGVXAUSA-N 321.421 -0.356 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CN(C)CCO1)N(C)c1ccc(C#N)nn1 1113534257 WWWUTVVSWKRDJC-AAEUAGOBSA-N 318.381 -0.380 30 20 DBED CC(=O)N1CC(C(=O)NC[C@@H](C)N(C)c2cncc(C#N)n2)C1 1113579759 UKIBAZAVQJUQAS-SNVBAGLBSA-N 316.365 -0.233 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)Cn2ccnc2)CC1 1113727494 XMYYLNIDOVMHQF-CYBMUJFWSA-N 305.382 -0.282 30 20 DBED Cc1cc(N(C)[C@H](C)CNC(=O)[C@H]2CNC(=O)N2)c(C#N)cn1 1113869720 RIHGQRWHATWQKA-ZYHUDNBSSA-N 316.365 -0.116 30 20 DBED C[C@@H](CNC(=O)[C@H]1CNC(=O)N1)N(C)c1ccc(C#N)nc1 1113870427 YUMSUAVFWMAQSN-JOYOIKCWSA-N 302.338 -0.424 30 20 DBED C=C[C@](C)(O)CC(=O)NC1[C@@H]2CN(Cc3cn(C)nn3)C[C@@H]12 1114194635 SPIMFVCTPRRROS-JMSVASOKSA-N 305.382 -0.311 30 20 DBED C#CCC1(C(=O)NC2[C@H]3CN(CC(=O)NC(N)=O)C[C@H]23)CCC1 1114396912 FUASWRZUBOXEDL-QWRGUYRKSA-N 318.377 -0.579 30 20 DBED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)NCc1ncn(C)n1 1117724326 FRASZRNIFFFYKK-ZYHUDNBSSA-N 307.354 -0.471 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CCC(NC(=O)OC)CC1 1118702288 CPRRIKZSMLZHMA-SNVBAGLBSA-N 313.354 -0.349 30 20 DBED C#CCOCCn1nnnc1N1CC[C@H]2NC(=O)CC[C@@H]2C1 1120159639 BTGSYSLRTPNRDU-VXGBXAGGSA-N 304.354 -0.572 30 20 DBED N#Cc1nccnc1N[C@H](CO)CNC(=O)Cc1ccon1 1121257182 JCJHJKQCRJNMCB-JTQLQIEISA-N 302.294 -0.532 30 20 DBED COc1cc(C(=O)NC[C@@H](CO)N=c2cc[nH]cc2C#N)on1 1121463477 HCQXIGMYVUIQHJ-JTQLQIEISA-N 317.305 -0.425 30 20 DBED Cc1cc(=N[C@H](CO)CNC(=O)c2nc[nH]n2)c(C#N)c[nH]1 1121892518 BICSPUJKYJIEPS-JTQLQIEISA-N 301.310 -0.996 30 20 DBED C=CCOCC(=O)NCCN[C@@H](C)C(=O)NC[C@@H]1CCCO1 1124772852 KKPBPQDYFMGLTD-STQMWFEESA-N 313.398 -0.422 30 20 DBED COCCS(=O)(=O)CCCNCCNC(=O)[C@@H](C)C#N 1124901512 ABDMCZHYQYANAT-NSHDSACASA-N 305.400 -0.697 30 20 DBED CN(C[C@@H](O)CN(C)c1cnc(C#N)cn1)C(=O)c1nc[nH]n1 1125140358 YLDZZXXNQDIDRT-JTQLQIEISA-N 316.325 -0.964 30 20 DBED CN(C)CCC(=O)N(C)C[C@H](O)CN(C)c1nccnc1C#N 1125253948 JEZNYKWTQFKMBO-LBPRGKRZSA-N 320.397 -0.445 30 20 DBED N#Cc1c[nH]c(C(=O)NCCNCCN2C(=O)CCC2=O)c1 1125370205 JJXLTGYXTDNKRY-UHFFFAOYSA-N 303.322 -0.645 30 20 DBED C#CCNC(=O)CC(=O)NCCNCCCc1nc(C)no1 1125982287 VLNNEVXNUDJMPA-UHFFFAOYSA-N 307.354 -0.844 30 20 DBED C=C(C)CN1C[C@H](n2ccnn2)[C@H](NC(=O)CCNC(N)=O)C1 1129428457 YSKATYMYMAENSL-NEPJUHHUSA-N 321.385 -0.746 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCNCc1cnn(CC)n1 1129770923 NUYCNTBJBCAGMW-AWEZNQCLSA-N 304.398 -0.399 30 20 DBED C=C(C)CN[C@@H]1CN(C(=O)CC(=O)N(C)C)C[C@@H]1n1ccnn1 1130030829 TUVVJKLJIXJMIA-OLZOCXBDSA-N 320.397 -0.326 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)C[C@@H]1CCN(C)C1=O 1130041282 HNYOQTJFOKSJIS-NEPJUHHUSA-N 310.398 -0.749 30 20 DBED CC#CCN[C@@H]1CN(C(=O)c2ncccn2)C[C@@H]1n1ccnn1 1130047764 ROFIHFFOWKYGKQ-OLZOCXBDSA-N 311.349 -0.253 30 20 DBED C#CCNC(=O)CNCCNC(=O)Cc1cnccc1OC 1130173264 FEJWQNNZDQZKKT-UHFFFAOYSA-N 304.350 -0.912 30 20 DBED C[C@H]1CCc2nc(C(=O)NCCNCC(=O)NCC#N)cn2C1 1130221255 BEOYZYIQXLPUPW-NSHDSACASA-N 318.381 -0.575 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CCn2cncc2C1 1130407698 WTOKCMCLWQGTKL-OLZOCXBDSA-N 319.409 -0.158 30 20 DBED C#CCN1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H](C)CC(N)=O)C1 1130416094 XAMVIOWMWODZSJ-RYUDHWBXSA-N 317.393 -0.040 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@@H](NCCO)[C@H](c2cn(C)cn2)C1 1130592822 GEBOIJBYGDNCSH-VNHYZAJKSA-N 320.393 -0.665 30 20 DBED COCCOCC(=O)N1C[C@@H](NCC#N)[C@H](c2cncn2C)C1 1130941192 UBCNGSUARBJKDX-CHWSQXEVSA-N 321.381 -0.509 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1ccncc1OC(C)C 1131752421 WALNGAYLUSKXGI-UHFFFAOYSA-N 318.377 -0.062 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1cc(CC)nnc1C 1131805587 KVXBTDZEIRAWFF-GFCCVEGCSA-N 317.393 -0.195 30 20 DBED C#CCN1C[C@H](NC(=O)CCNS(C)(=O)=O)CC[C@H]1C 1132076769 DCFUEWSUDFTNSW-VXGBXAGGSA-N 301.412 -0.472 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)CCn1cncn1 1133703638 VMKQOJRFNWQUQC-QWHCGFSZSA-N 320.397 -0.710 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)CCn1ccnn1 1134194365 SEBXPEXGCZCMOO-STQMWFEESA-N 320.397 -0.710 30 20 DBED CC[C@@H]1C[C@@H](CC(=O)NCCNCC(=O)NCC#N)CCO1 1146960226 UCHBVOZHUJEOIJ-QWHCGFSZSA-N 310.398 -0.073 30 20 DBED Cn1cc(C(=O)N2CC3(CCN(CC(=O)NCC#N)C3)C2)cn1 1146966352 YOULJWCWKZUNFF-UHFFFAOYSA-N 316.365 -0.792 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)[C@@H]1CCCCO1)C2 1147334277 RXWUODAUYOQWIX-AWEZNQCLSA-N 319.405 -0.161 30 20 DBED N#CCNC(=O)CNCCNC(=O)CCCc1ccccn1 1148585749 KDKFEWYIAYMLMQ-UHFFFAOYSA-N 303.366 -0.250 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1ccc2nn[nH]c2c1 1150711846 XFMJUTMNOGQTMF-JTQLQIEISA-N 314.349 -0.585 30 20 DBED COCCC1(NC(=O)CCNC(N)=O)CCN(CC#N)CC1 1151405914 OFDNFMVRFATDRE-UHFFFAOYSA-N 311.386 -0.444 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)CN1CCC[C@H]1C 1155226872 PVZHNVDSFFFZFB-ZIAGYGMSSA-N 323.441 -0.063 30 20 DBED CCN(CC#N)[C@H](C)CNC(=O)[C@H](CCC(N)=O)NC(C)=O 1155857405 SBMUCZAXVUTWNN-PWSUYJOCSA-N 311.386 -0.893 30 20 DBED COCC1(CNC(=O)[C@H]2COCCO2)CCN(CC#N)CC1 1162131992 SNNBCZOZDMJPJY-CYBMUJFWSA-N 311.382 -0.230 30 20 DBED C#CCNCC1(CCNC(=O)CCCS(N)(=O)=O)CC1 1166918281 PFFKXNSUGMYTFS-UHFFFAOYSA-N 301.412 -0.436 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)NCCCNCCOCCO 1167667796 MTTRGFCBWVYGTJ-CQSZACIVSA-N 315.414 -0.438 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)c1cn(C(C)C)nn1 1169559561 NMIHLVXPMIDYOK-GFCCVEGCSA-N 320.397 -0.294 30 20 DBED COCC#CCN1CCO[C@@H]2CCN(C(=O)c3cn[nH]c3)C[C@@H]21 1176924252 MTGOBYUQMTYJBG-LSDHHAIUSA-N 318.377 -0.025 30 20 DBED C#CCCN1CCO[C@H]2CCN(C(=O)CC(=O)NCC)C[C@H]21 1176995950 ZHEXHWPHVOKOTO-KGLIPLIRSA-N 307.394 -0.162 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)CCc2cnc[nH]2)[C@H]1C 1178853410 RRIQRICIJKIADL-JSGCOSHPSA-N 317.393 -0.329 30 20 DBED C=CCNC[C@H]1CCN(C(=O)CN2CCNC(=O)C2)C[C@H]1C 1184924763 WBEAAWWYLFWEHE-ZIAGYGMSSA-N 308.426 -0.322 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)C2=COCCC2)C1 1189269098 GNTWEGMYEFGSQT-CQSZACIVSA-N 305.378 -0.037 30 20 DBED C=CCNC(=O)[C@@H](C)N(C)[C@@H]1CCN(C(=O)CC(=O)NC)C1 1189859133 XITPMDQZUMZLQQ-VXGBXAGGSA-N 310.398 -0.654 30 20 DBED CN1CC[C@H](C(=O)N2CC[C@H]3CN(CC(=O)NCC#N)C[C@H]32)C1 1190157410 HQYOOBRZOZNTTM-MELADBBJSA-N 319.409 -0.889 30 20 DBED C=CCN1CC[C@@H](N2C[C@@H](O)[C@H](NC(=O)/C(C)=C/C)C2)C1=O 1192127781 OIKBVJDSRADPNC-ZHBPPSIXSA-N 307.394 -0.099 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)CCC(=O)NCCCOC)C1 1197658690 ROJXHVUKLATCKT-CHWSQXEVSA-N 313.398 -0.733 30 20 DBED C#CCCN1CCCN(C(=O)CCS(=O)(=O)N(C)C)CC1 1198221392 JJEPCOMGGUAEGE-UHFFFAOYSA-N 315.439 -0.175 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)c2cccc(O)n2)CC1 1199960755 JXDNSKZHBYAUBN-UHFFFAOYSA-N 316.361 -0.269 30 20 DBED C=CCNC[C@@H]1CN(C(=O)CCn2ncn(C)c2=O)CCCO1 1201051287 OLUBBDJZLATYSP-CYBMUJFWSA-N 323.397 -0.635 30 20 DBED CC#CCNC[C@H]1CN(C(=O)CCc2cnn(C)n2)CCCO1 1201418918 CMPLQEBFBNBWRH-HNNXBMFYSA-N 319.409 -0.022 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)[C@@H]2C[C@@H](C)CO2)CC1 1205722287 OQQRWNGJMDPJOC-HIFRSBDPSA-N 321.421 -0.011 30 20 DBED CCOCCCC(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1206191776 WUEAFRREGUUYBB-CHWSQXEVSA-N 310.398 -0.121 30 20 DBED C=CCOCCN1C[C@@H](NC(=O)CS(C)(=O)=O)[C@H](C)C1 1206364409 HRLXLPDWMHZFKD-VXGBXAGGSA-N 304.412 -0.330 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)c2cn(C)nn2)[C@H](C)C1 1206931670 WVEFOSOUHVSEDO-GHMZBOCLSA-N 306.370 -0.833 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)c2cn(C)nc2C)C1 1207698816 YRTFFBVVYXLLJZ-ZDUSSCGKSA-N 317.393 -0.328 30 20 DBED CCn1nncc1C(=O)N1CCC[C@@H](NCC(=O)NCC#N)C1 1207982484 BGQPQHASBUPBIO-LLVKDONJSA-N 319.369 -0.868 30 20 DBED N#CCNC(=O)CN[C@H]1CCCN(C(=O)[C@]2(F)CCOC2)C1 1209242923 QVITXQKMALRTEN-FZMZJTMJSA-N 312.345 -0.665 30 20 DBED CO[C@@H]1CN(Cc2ccccc2C#N)C[C@H]1NC(=O)CC(N)=O 1212069032 LRRFKWQIBCLIMK-ZIAGYGMSSA-N 316.361 -0.251 30 20 DBED CC#CCN1C[C@@H](NC(=O)C(C)(C)NC(=O)NCC)[C@H](OC)C1 1213524455 FETNGKCAXAXSJQ-CHWSQXEVSA-N 324.425 -0.077 30 20 DBED C#CCN1C[C@@H](NC(=O)CCCCN2CCOCC2)[C@H](OC)C1 1213576526 PCACGYYXTHOZAI-HZPDHXFCSA-N 323.437 -0.063 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)COCC2CC2)C[C@H]1C 1214210942 SDRKDWJJGOZKHV-UMVBOHGHSA-N 321.421 -0.013 30 20 DBED CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1C 1214338572 TUBNFJCCNWSSNR-HBNTYKKESA-N 309.370 -0.572 30 20 DBED COCCCNC(=O)CCC(=O)N1C[C@@H](NCC#N)[C@H](C)C1 1216323897 OIXVISBADCKFIE-CHWSQXEVSA-N 310.398 -0.121 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(Cc2cnnn2CC)C[C@@H]1O 1219532344 VGBGSHCQXZXPLJ-KGLIPLIRSA-N 305.382 -0.237 30 20 DBED C[C@]1(C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@@H]2O)C=CCC1 1220144508 IBESXBHNCGKTKR-XUJVJEKNSA-N 306.366 -0.856 30 20 DBED N#CCSCC(=O)N1C[C@H]2CCN(CCOCCO)C[C@H]21 1221291377 DYLRAHYLVDTNNJ-CHWSQXEVSA-N 313.423 -0.215 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCC(NC(=O)C(C)(C)C(N)=O)CC1 1227890340 GRKWVSUXELXCFS-LLVKDONJSA-N 324.425 -0.231 30 20 DBED C=CCOCC(=O)NCCCN(C)Cc1nnc2n1CCOC2 1235699278 TYKJLRJAANNSRS-UHFFFAOYSA-N 323.397 -0.051 30 20 DBED COC[C@](C)(C#N)NC(=O)c1cc(S(N)(=O)=O)cn1C 1321985281 VPCQPIVAFLQDKU-NSHDSACASA-N 300.340 -0.669 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1 1324188926 FNHYJSHPZICWQV-ZDUSSCGKSA-N 317.389 -0.013 30 20 DBED C=CCN(C(=O)C(=O)Nc1ncn(CC(=O)N(C)C)n1)C1CC1 1324382752 MEFTZMMDESSNNP-UHFFFAOYSA-N 320.353 -0.518 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N(C)CCCN(C)C 1325699467 YWXQKVPDAOTGBD-UHFFFAOYSA-N 319.427 -0.887 30 20 DBED C[C@H]1CC(=O)NCCN1C(=O)C(=O)Nc1ccc(C#N)cn1 1326274532 LEYUAGVFNVHVTR-VIFPVBQESA-N 301.306 -0.371 30 20 DBED Cn1cc(CNC(=O)C(=O)NCC2CCC(C#N)CC2)nn1 1326603933 MWHTXOIJQIEKGH-UHFFFAOYSA-N 304.354 -0.123 30 20 DBED C#CCSCCNC(=O)C(=O)N[C@H]1CCN(CC(F)F)C1 1327682668 GRMHIZSSQPKPFB-JTQLQIEISA-N 319.377 -0.075 30 20 DBED C=CCC1(O)CCN(C(=O)C(=O)NCCCC(=O)NC)CC1 1334467257 XZNVEYFSUBRDBV-UHFFFAOYSA-N 311.382 -0.442 30 20 DBED C#CCN(C(=O)C(=O)N1CC[C@H]2NC(=O)CC[C@@H]2C1)C(C)C 1335122767 NQNHWWQKMSWDKY-CHWSQXEVSA-N 305.378 -0.016 30 20 DBED C=CCCOCCNC(=O)C(=O)N[C@H](C)c1nnnn1C1CC1 1336140280 SGVZZNBRXGZHKF-SNVBAGLBSA-N 322.369 -0.106 30 20 DBED N#C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](N3CCNCC3)C2)C1 1339222858 FHIRJUGGNGEDHI-UONOGXRCSA-N 319.409 -0.745 30 20 DBED C=CCn1c(CCOC)nnc1N1CCN2C(=O)NC[C@H]2C1 1340389024 AHOUUBXFOSWRCT-NSHDSACASA-N 306.370 -0.133 30 20 DBED N#C[C@H](C(=O)[C@H]1CCCOC1)C(=O)N1CCS(=O)(=O)CC1 1343333572 DIEVQAXENLVYRK-WDEREUQCSA-N 314.363 -0.621 30 20 DBED CC#CCCNC(=O)C(=O)NCCCCCS(C)(=O)=O 1347247299 PMQGAUPYSPWPID-UHFFFAOYSA-N 302.396 -0.153 30 20 DBED C=CCOCCNC(=O)C(=O)NCC1(CS(C)(=O)=O)CC1 1347345797 OJGVHOIUJRZUHA-UHFFFAOYSA-N 318.395 -0.754 30 20 DBED C=CCN1CCC(NC(=O)C(=O)NCC(=O)N(CC)CC)CC1 1349057838 SJIZPLKMXMFSAW-UHFFFAOYSA-N 324.425 -0.262 30 20 DBED C[C@@H]1C[C@@H](N)CN1C(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1351984521 MKQLDCIPGSXGMU-NQBHXWOUSA-N 305.382 -0.867 30 20 DBED C#CCN1CCC(C(=O)N(C)N2CCS(=O)(=O)CC2)CC1 1352829946 MNQGRLSUAJOXLM-UHFFFAOYSA-N 313.423 -0.565 30 20 DBED C[C@@H]1C[C@@H](NC(=O)CCn2cc(C#N)c(O)nc2=O)CCO1 1362488513 PPJHIRDAFVAOKP-KOLCDFICSA-N 306.322 -0.106 30 20 DBED N#Cc1cn(CCC(=O)NC[C@@H]2CC[C@H](O)C2)c(=O)nc1O 1362500352 YLXNPTANAMEKDP-KOLCDFICSA-N 306.322 -0.512 30 20 DBED CC(C)Cn1c(N)c(C(=O)CN[C@@H](C)CC#N)c(=O)n(C)c1=O 1364740137 FOLJYSOEGNPUEC-JTQLQIEISA-N 321.381 -0.140 30 20 DBED Cc1c(C#N)c(=O)n(CC(=O)NCc2ccco2)c(=O)n1C 1365263258 ASGMHVZAGHXFRO-UHFFFAOYSA-N 302.290 -0.364 30 20 DBED C[C@@H](C#N)C(=O)NC1CC(N(C)C(=O)CCn2cnnn2)C1 1371198707 WUFKXRHXXRXXJJ-WHXUTIOJSA-N 305.342 -0.672 30 20 DBED C[C@H](C#N)C(=O)N[C@H](CNC(=O)c1cnc(O)n1C)C1CC1 1372411637 KVNBSTVQRMUCNU-PSASIEDQSA-N 305.338 -0.090 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H](C)C1CCN(C(=O)CCNC(N)=O)CC1 1374340317 YRJYCYHLBKINNS-QWRGUYRKSA-N 323.397 -0.052 30 20 DBED Cn1nccc1C(=O)NC[C@@H](O)CNC(=O)c1cc(C#N)c[nH]1 1376550200 WNTMNTBFFGHGKK-JTQLQIEISA-N 316.321 -0.859 30 20 DBED CCc1noc(COCC(=O)NC[C@@H](C)NC(=O)[C@@H](C)C#N)n1 1377278969 YSDYMRUUZRHEEJ-VHSXEESVSA-N 323.353 -0.071 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CCN(C(=O)CN2CCCNC2=O)C1 1385860040 RSNWCTNCOYHXGQ-MNOVXSKESA-N 307.354 -0.722 30 20 DBED CCN(CCNC(=O)[C@@H]1CCC(=O)N1)C(=O)c1ccc(C#N)[nH]1 1387267949 NWSRLATXHMIPDQ-NSHDSACASA-N 317.349 -0.257 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]1CNC(=O)C(C)(C)N1CCOCC1 1389698618 RRUQDVZTKYUVSX-QWHCGFSZSA-N 322.409 -0.026 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)CCc2cncnc2)C1 1396382096 MBPLHBSPIMXHKD-CYZMBNFOSA-N 317.349 -0.743 30 20 DBED CNC(=O)NCC(=O)N[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 1407754112 LMYDKYJZIQNZED-JTQLQIEISA-N 318.337 -0.854 30 20 DBED N#Cc1ccc(C(=O)N2CC(NC(=O)CCn3ccnn3)C2)[nH]1 1415989410 QCUOMGPKIHHPNH-UHFFFAOYSA-N 313.321 -0.491 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1snnc1C1CC1 1416769104 LJRGRRXXOCPJQQ-CBAPKCEASA-N 323.378 -0.218 30 20 DBED CCCN(CCNC(=O)[C@H](C)C#N)CC(=O)NC(=O)NC1CC1 1420576286 DPLGDHPDSBNDHB-LLVKDONJSA-N 323.397 -0.038 30 20 DBED C[C@H](C#N)C(=O)N(CCNC(=O)[C@H]1CCCC(=O)N1)C1CC1 1431889506 PEIMFLPDNALIGX-ZYHUDNBSSA-N 306.366 -0.078 30 20 DBED CC[C@H](C)[C@H](O)CNC(=O)CCn1cc(C#N)c(O)nc1=O 1433794353 NXLXPULLCDLBFT-GXSJLCMTSA-N 308.338 -0.266 30 20 DBED C[C@@H](CNC(=O)Cn1ncnn1)N(C)C(=O)c1ccc(C#N)[nH]1 1442782220 VVNIBSMSCOHRNT-VIFPVBQESA-N 316.325 -0.850 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CN(C)C(=O)CCc1ccon1 1444699803 YAIZMNKGSQKGCB-PWSUYJOCSA-N 308.338 -0.298 30 20 DBED Cn1nnnc1CNC1(CNC(=O)c2cc(C#N)c[nH]2)CC1 1446170678 QBKLWIYTYWFLQT-UHFFFAOYSA-N 300.326 -0.538 30 20 DBED N#Cc1ncn(CC(=O)N2CCC(N3CCOC3=O)CC2)n1 1454020136 RUZWFAADEMDTED-UHFFFAOYSA-N 304.310 -0.407 30 20 DBED Cc1noc(C)c1CCC(=O)NC[C@@H](O)CNC(=O)[C@@H](C)C#N 1457976599 AIHLLEAWYLRGJG-JOYOIKCWSA-N 322.365 -0.023 30 20 DBED CC(=O)N(C)CC(=O)NC[C@@H]1CCCN(C(=O)[C@@H](C)C#N)C1 1494260644 DVTAKIZRFLXCGM-AAEUAGOBSA-N 308.382 -0.021 30 20 DBED C[C@@H](C(=O)NCc1cnn[nH]1)N(C)CCNC(=O)C#CC1CC1 1575209508 FFCPBKOFJFKJTA-NSHDSACASA-N 318.381 -0.729 30 20 DBED C#CC[C@H](CCOC)NC(=O)[C@H]1CCCN(CC(=O)O)C1=O 1588389383 UCSXIOHJARZMOB-VXGBXAGGSA-N 310.350 -0.146 30 20 DBED C#CCN(CC(=O)O)C(=O)CCCCCCS(N)(=O)=O 1588402063 KLXBYSRCGPUBII-UHFFFAOYSA-N 304.368 -0.228 30 20 DBED C#CCOc1cccc(NC(=O)C(=O)NC[C@](C)(O)C(=O)O)c1 1588433602 QDENPNWFZFFUPR-HNNXBMFYSA-N 320.301 -0.411 30 20 DBED N#Cc1ccc(NCC(=O)Nc2n[nH]cc2-c2nn[nH]n2)nc1 1592696240 RQJIXORPWPPDGK-UHFFFAOYSA-N 310.281 -0.093 30 20 DBED C#CC[C@@H](CCOC)NS(=O)(=O)c1n[nH]cc1C(=O)O 1602683189 KNIKFDFRPLNUTJ-QMMMGPOBSA-N 301.324 -0.185 30 20 DBED Cn1nccc1[C@H](NCC(=O)N(CCC#N)CCC#N)C(=O)O 1605568629 XPLTXKIQYSQBGE-ZDUSSCGKSA-N 318.337 -0.209 30 20 DBED N#Cc1nc(N)n(C[C@@H]2C[C@@H]3COC[C@@H]3O2)c1-c1nn[nH]n1 1606390163 ZPJUBTMZNIRPSA-FJXKBIBVSA-N 302.298 -0.679 30 20 DBED C[C@H](C(=O)NCC(=O)O)N(C)CCCc1[nH]nc(N)c1C#N 1609635514 ZLPUGRWUQDRERL-MRVPVSSYSA-N 308.342 -0.683 30 20 DBED CC[C@H]1CN(c2nnc(Cn3cnc(C#N)n3)n2C)CCO1 1650265736 YFLBYWLPCLZMMI-JTQLQIEISA-N 302.342 -0.058 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@H]1CCCN(CCOCCO)C1 1690037609 ICVQDMDGYKZRFR-DZGCQCFKSA-N 300.399 -0.097 30 20 DBED CC(=O)NCC(C)(C)C(=O)N[C@H]1C[C@H](NCC(=O)NCC#N)C1 1752672118 QSTLLWIVWOCXAX-HAQNSBGRSA-N 323.397 -0.975 30 20 DBED N#CCNC(=O)CN[C@H]1CCC[C@H](NC(=O)Cc2nc[nH]n2)C1 1752981435 XXVJGNJAZMZELX-QWRGUYRKSA-N 319.369 -0.996 30 20 DBED CCN(CCNC(=O)[C@H](F)C(F)(F)F)CC(=O)NCC#N 1753082362 HPLBZZKWZFUNEX-VIFPVBQESA-N 312.267 -0.035 30 20 DBED C#CCN1CCC(CCNC(=O)Cn2nc(C)n(C)c2=O)CC1 1753599843 UKWGMSJJYNZFNR-UHFFFAOYSA-N 319.409 -0.258 30 20 DBED C=CCNC(=O)CNC[C@H]1[C@@H](C)CCCN1C(=O)CC(N)=O 1753806052 VBGYTOLAVPHNAE-RYUDHWBXSA-N 310.398 -0.619 30 20 DBED C#CCNC(=O)CNC[C@H](O)CNC(=O)c1ccc(Cl)[nH]1 1753927052 BWDXRJOKWRXFBD-VIFPVBQESA-N 312.757 -0.902 30 20 DBED C#CCNC(=O)CNCC[C@@H](C)NC(=O)[C@H]1CCNC(=O)CC1 1753996353 GNPBLJPTNOSDHT-CHWSQXEVSA-N 322.409 -0.864 30 20 DBED CCn1nc(C(=O)N[C@H](C)CNCC#CCOC)ccc1=O 1754245572 GWJFPSGGBWPULC-GFCCVEGCSA-N 306.366 -0.379 30 20 DBED COc1cccnc1C(=O)N[C@@H](C)CNCC(=O)NCC#N 1754293719 GVEJFPILJNUURF-JTQLQIEISA-N 305.338 -0.562 30 20 DBED CC(C)C#CC(=O)N(C)CCCNCC(=O)N1CCNC(=O)C1 1754369793 CFQDKTPUQIXRIZ-UHFFFAOYSA-N 322.409 -0.958 30 20 DBED CCC1(NCC#CCOC)CCN(C(=O)CNC(=O)NC)CC1 1755068680 CBDMIOGZNUJVSS-UHFFFAOYSA-N 324.425 -0.074 30 20 DBED C[C@H]1CN(C(=O)CS(=O)(=O)NC(C)(C)C)C[C@@H]1NCC#N 1755121867 MNLWZRSFGCIYJF-QWRGUYRKSA-N 316.427 -0.336 30 20 DBED C#CCNC(=O)CNCC1CC(NC(=O)c2n[nH]c(C)c2O)C1 1755208231 JWFBRWPKWBPLDE-UHFFFAOYSA-N 319.365 -0.729 30 20 DBED C#CCNC(=O)CNCC(C)(C)CN(C)C(=O)c1ncccn1 1755285783 NPZKXSZROPIJFA-UHFFFAOYSA-N 317.393 -0.086 30 20 DBED C[C@@H](CNC(=O)CCc1ccncn1)N(C)CC(=O)NCC#N 1755301644 PJYIGDNBVKQEJI-LBPRGKRZSA-N 318.381 -0.515 30 20 DBED C[C@H](CNC(=O)CC[C@@H]1CCCN1C)N(C)CC(=O)NCC#N 1755304484 ZVYJQRURJWDYEC-KGLIPLIRSA-N 323.441 -0.063 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H](CO)CNC(=O)C(C)(C)C(F)F 1755637488 AWCYQSZBYJZHSS-UWVGGRQHSA-N 319.352 -0.518 30 20 DBED CC#CCNC[C@@H](O)CN(C)C(=O)[C@@H]1CCc2c[nH]nc2C1 1755796450 QSVHJVYEZBJQJH-TZMCWYRMSA-N 304.394 -0.053 30 20 DBED C=C(C)CN(CC)C(=O)CN1CC=C(CNC(=O)C(N)=O)CC1 1755892885 ZJSMQVPUUBIPNR-UHFFFAOYSA-N 322.409 -0.355 30 20 DBED C=CCOCC(=O)NC[C@@H](C)N(C)C(=O)CN1CCCC1=O 1756012450 XMCRHPHWGKKLTP-GFCCVEGCSA-N 311.382 -0.226 30 20 DBED CN(CCOCCNC(=O)C#CC1CC1)C(=O)c1cnnn1C 1756374448 NPNFDUMGLNNFIT-UHFFFAOYSA-N 319.365 -0.567 30 20 DBED C=CCOCC(=O)N[C@@H](C)CN(C)C(=O)[C@H]1CCC(=O)N1C 1756487516 NPMCWIDIPQKIEJ-NWDGAFQWSA-N 311.382 -0.227 30 20 DBED CCc1nc(C(=O)NC[C@@H](CO)NC(=O)C#CC2CC2)co1 1756513813 MVNPSHKSINWWJU-NSHDSACASA-N 305.334 -0.143 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H](CO)CNC(=O)c1cnnc(C)c1 1756516273 YXEWGZPCBYBOSG-IUODEOHRSA-N 322.365 -0.681 30 20 DBED C=CCO[C@H](C)C(=O)N[C@H](CO)CNC(=O)c1ccnnc1C 1756534726 CIYHHQPOGYMFAN-NEPJUHHUSA-N 322.365 -0.417 30 20 DBED C=C(C)C(C)(C)C(=O)N[C@@H](CO)CNC(=O)c1cnc(O)n1C 1756539941 HTBLYDRUTOKUAN-SNVBAGLBSA-N 324.381 -0.065 30 20 DBED COCCN(CCNC(=O)Cc1cc[nH]n1)C(=O)C#CC1CC1 1756724720 CWZUTTZJSOOZQA-UHFFFAOYSA-N 318.377 -0.043 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1O 1757022208 NGKQKIRDMYHLOS-NXEZZACHSA-N 307.354 -0.671 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2csc(O)n2)C1 1757026438 SJVVYZKATDJNTR-MWLCHTKSSA-N 323.374 -0.190 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(C(=O)c2coc(OC)n2)C[C@@H]1O 1757169373 XTXZMRRRFZPPAQ-PWSUYJOCSA-N 321.333 -0.212 30 20 DBED C[C@@H](Oc1ccc(C=NNCCS(N)(=O)=O)cc1)C(=O)O 1776046954 PEENYTPYMRVFKM-SECBINFHSA-N 315.351 -0.250 30 20 DBED O=C(O)c1nn(C2CCOCC2)cc1C=Nn1c(O)nnc1O 1776079471 BVODAPAADZFSLQ-UHFFFAOYSA-N 322.281 -0.182 30 20 DBED COC(=O)CCN(CC(=O)O)S(=O)(=O)CC1(C#N)CCC1 1777104676 GHIHDELQTFPLGU-UHFFFAOYSA-N 318.351 -0.040 30 20 DBED C[C@]1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CC#N)C3)CCCN1 1799216537 LKJNUFKSKUKQIK-FAXLKDOZSA-N 320.393 -0.368 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@]1(C)CCCN1 1799219058 NCEODUFIRBDIMH-FAXLKDOZSA-N 305.378 -0.649 30 20 DBED CO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)S 1800988985 DNFCCWHZBUEEIS-MJDLHHQISA-N 316.423 -0.071 30 20 DBED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)[C@H]1CCCO1)C2 1846195428 OTBNKUBFPZWIND-LLVKDONJSA-N 306.318 -0.543 30 20 DBED C[C@H]1CN(CCCNC(=O)Cn2cnc(C#N)n2)C[C@H](C)O1 27723670 KYEGJNKPMUBPPN-RYUDHWBXSA-N 306.370 -0.235 30 20 DBED C[C@H](CNc1c(C#N)c(=O)n(C)c(=O)n1C)N1CCN(C)CC1 57838081 HIIDKBRGFHYPOO-LLVKDONJSA-N 320.397 -0.997 30 20 DBED CNC(=O)CN1CCN(C(=O)COc2ccccc2C#N)CC1 71798299 FCWMSXJHEVWQQD-UHFFFAOYSA-N 316.361 -0.173 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)c2cc(C)n(C)n2)CC1 77580872 BIYOLCRWCSCNHU-UHFFFAOYSA-N 305.382 -0.211 30 20 DBED N#Cc1ccc(F)c(CN2CCN3C(=O)C(=O)NC[C@@H]3C2)c1 177112355 ZLDVISGCWDDPAN-GFCCVEGCSA-N 302.309 -0.160 30 20 DBED C/N=C(/NCCn1cncn1)N1CCN(C[C@@H]2CCOC2)CC1 261763195 OLNUBICLAVCHCC-AWEZNQCLSA-N 321.429 -0.492 30 20 DBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)CC(N)=O 268777661 SEXULFFUPLPQTQ-VIFPVBQESA-N 324.362 -0.831 30 20 DBED CC(=O)NCC(=O)NCC(=O)N1CCc2ccc(C#N)cc21 270154938 BLLDJAOEGICFSD-UHFFFAOYSA-N 300.318 -0.300 30 20 DBED CNC(=O)[C@H]1CN(C(=O)COc2ccccc2C#N)CCO1 273130537 RMLTWRZNZPBHMK-CYBMUJFWSA-N 303.318 -0.090 30 20 DBED Cn1cc(C[C@@H](NS(=O)(=O)CCCC#N)C(=O)O)cn1 275164993 BBSZAPJSOQRAAY-SNVBAGLBSA-N 300.340 -0.361 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@H](C)OC[C@H]2CC)C1=O 299694612 MWBVKADPZOPLKR-WDEREUQCSA-N 323.349 -0.011 30 20 DBED C=CCC[C@@H](NS(=O)(=O)c1cc(C(N)=O)n(C)c1)C(=O)O 316261498 GCGHWESXHXXIHN-SECBINFHSA-N 315.351 -0.178 30 20 DBED C[C@H](CO[C@H]1CCOC1)/N=C(/O)N1CCS(=O)(=O)CC1 329789148 BTUMNVXLJVQFSA-MNOVXSKESA-N 306.384 -0.175 30 20 DBED C[C@H](CNS(=O)(=O)N(C)[C@H](C)CC#N)N1CCN(C)CC1 330424977 UWVCVHCQRRIINC-CHWSQXEVSA-N 317.459 -0.309 30 20 DBED N#C[C@H]1CN(S(=O)(=O)NCCCOCC2CC2)CCO1 336880758 AGTVTRHFMJCQSO-LBPRGKRZSA-N 303.384 -0.138 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)CCSc2nnnn2C)C1=O 337067756 LBBKTXYKKWWXFV-SNVBAGLBSA-N 324.410 -0.062 30 20 DBED CCN(CCC#N)S(=O)(=O)N(C)[C@H](C)CS(C)(=O)=O 337078391 VAIJENNEDGRYBD-SNVBAGLBSA-N 311.429 -0.168 30 20 DBED C=CCOC[C@@H](NS(=O)(=O)N(CC)CCC#N)C(=O)OC 337154675 NCAHXRIJSFOVGP-LLVKDONJSA-N 319.383 -0.199 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)NC[C@@H]1CN2CCN1CC2 337782270 UOCOAKMASRKZCQ-VXGBXAGGSA-N 301.416 -0.945 30 20 DBED CC[C@@H]1CN(C(=O)Cn2cnc(C#N)n2)C[C@@H](C)S1(=O)=O 346339296 PSXAKBBPXQRVPY-NXEZZACHSA-N 311.367 -0.426 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N1CCC[C@@H](S(N)(=O)=O)C1 347528730 FQIILQNIWVZZHD-NXEZZACHSA-N 318.399 -0.860 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCNS(=O)(=O)c1cccnc1 355152619 ALBIQTPXYIXXSY-CYBMUJFWSA-N 313.379 -0.197 30 20 DBED CCS(=O)(=O)N1CCN(C(=O)c2cnn(C)c2C#N)CC1 355481247 ZNKGMGVOCQLFNX-UHFFFAOYSA-N 311.367 -0.601 30 20 DBED C=CCOCC(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 356925647 XOTANGQZXUIPEC-UHFFFAOYSA-N 309.370 -0.298 30 20 DBED N#Cc1ccc(CNC(=O)CN2CC[C@H](S(N)(=O)=O)C2)cc1 357378270 DEYPHQSASUQERH-ZDUSSCGKSA-N 322.390 -0.463 30 20 DBED C=CCNc1nnc(S(=O)(=O)[C@H](C)c2nnnn2C)s1 358745869 YQKOXVSNMPXFDY-ZCFIWIBFSA-N 315.384 0.194 30 20 DBED C=CCOC[C@H](NC(=O)c1cn([C@H]2CCOC2)nn1)C(=O)OC 360756022 SURQUMZNUUDVDC-JQWIXIFHSA-N 324.337 -0.287 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCC[C@@H](C(N)=O)C1 407954328 NSJFBDBITWIDAM-GHMZBOCLSA-N 302.400 -0.090 30 20 DBED C#CCN1CCN(C(=O)CN2CCn3nc(C)nc3C2)CC1 490763893 XXWXZIRTANFGSF-UHFFFAOYSA-N 302.382 -0.820 30 20 DBED C#CCNC(=O)CN1CCN(C[C@H](O)Cc2ccccc2)CC1 491070737 DXZIMZHYLAVKCX-QGZVFWFLSA-N 315.417 -0.043 30 20 DBED C#CCN1CCN(C(=O)CN2CC[C@@H](n3cccn3)C2)CC1 491726395 GEZFJVOQRMLMEP-OAHLLOKOSA-N 301.394 -0.093 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2cnc(O)cc2C)CC1 491778625 YVPFSJJBSGKSSP-UHFFFAOYSA-N 316.361 -0.397 30 20 DBED C#CCN1CCN(C(=O)Cn2cc(Cl)c(O)nc2=O)CC1 491787708 WLNITVVSIZXVPJ-UHFFFAOYSA-N 310.741 -0.620 30 20 DBED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCC(=O)N1CCNCC1 518940333 DVEKDSCPNFOTDI-TZMCWYRMSA-N 310.398 -0.301 30 20 DBED COCCOc1ccc(CNC(=O)Cn2cnc(C#N)n2)cn1 531769194 XYYFQYQRQZUIAK-UHFFFAOYSA-N 316.321 -0.114 30 20 DBED COC(=O)c1cn(CCNC(=O)c2cccc(C#N)n2)nn1 589463418 PRPJWEOMULNDOD-UHFFFAOYSA-N 300.278 -0.239 30 20 DBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1C[C@H](O)C1 598527895 KDQNODYTGDNAME-DLOVCJGASA-N 323.374 -0.135 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(C[C@@H]2CCO[C@@H]2C)c1=O 631005752 MXMAFIKJXYNHQK-NEPJUHHUSA-N 307.350 -0.031 30 20 DBED C=C[C@@](C)(O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 669122201 NEPPDYSXZTWJDE-CQSZACIVSA-N 308.338 -0.383 30 20 DBED COCC#CCOC(=O)COc1ccc(S(N)(=O)=O)cc1 762809439 YNJYGYHHYKBRPU-UHFFFAOYSA-N 313.331 -0.094 30 20 DBED C#CCSCCNC(=O)N(CCO)CCN1CCOCC1 764413067 DRFQVOYKFRRBHL-UHFFFAOYSA-N 315.439 -0.311 30 20 DBED N#CCNC(=O)CNS(=O)(=O)c1ccc(F)c(C(=O)O)c1 794838813 LXNSAGIXUGWXHU-UHFFFAOYSA-N 315.282 -0.558 30 20 DBED C#CCC[C@H](O)CNC(=O)c1ccc(S(=O)(=O)NC)nc1 799081060 GDEVKAYOQGLTCN-NSHDSACASA-N 311.363 -0.506 30 20 DBED C[S@@](=O)CCNC(=O)C(=O)NCc1cc(C#N)ccc1F 805003092 JOIWGPSMMPBCGP-OAQYLSRUSA-N 311.338 -0.192 30 20 DBED C#CCNC(=O)CCN[C@H]1CCN(CCN2CCOCC2)C1 819078758 ZAVAYDWRGZWDEV-HNNXBMFYSA-N 308.426 -0.878 30 20 DBED O=C(NCc1ccc(F)cc1)C(=O)N[C@H]1CCCN(O)C1=O 820477116 UYEKJLJIHDYPLB-NSHDSACASA-N 309.297 -0.062 30 20 DBED CNC(=O)[C@@H](NC(=O)CN(CC#N)CC(=O)O)c1ccccc1 830975928 YLZZPMMPGLQRNR-AWEZNQCLSA-N 318.333 -0.500 30 20 DBED C#C[C@H](NC(=O)C(=O)N1C[C@H]2[C@@H](N)CCC[C@H]2C1)[C@@H]1CCCO1 842161772 COBCIAMCCSKHSQ-AICCOOGYSA-N 319.405 -0.131 30 20 DBED O=C(N[C@@H]1CCCN(O)C1=O)c1ccc(-n2ccnc2)nn1 848138443 MYXWZXRYNFUJKP-SNVBAGLBSA-N 302.294 -0.228 30 20 DBED C#CCN1CCN(C(=O)CNC2(COC)CCOCC2)CC1 852089136 KGNWJSCVZQTDMO-UHFFFAOYSA-N 309.410 -0.451 30 20 DBED CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)C#CC2CCNCC2)O1 852887730 DHLLRPDRDOHMGF-KGLIPLIRSA-N 307.394 -0.259 30 20 DBED C#CC[C@H](CO)NC(=O)CCNS(=O)(=O)c1cccnc1 854546330 CBACJFROOHMUNY-LLVKDONJSA-N 311.363 -0.750 30 20 DBED C#CCN1CCC(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)OC)CC1 870357482 INEZZHZITWUBLR-RYUDHWBXSA-N 323.393 -0.486 30 20 DBED C#CC[C@@H](CO)NC(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 914378540 DGCIJYLVTYWFEF-MNOVXSKESA-N 303.384 -0.906 30 20 DBED C=CCN(CC=C)C(=O)COC(=O)CCNS(C)(=O)=O 914650508 NHYKQDUTRLACQC-UHFFFAOYSA-N 304.368 -0.331 30 20 DBED N=C(N)NN=Cc1c(N2CCOCC2)nc2ccccn2c1=O 915049443 RVEQLLPOJRRRBA-UHFFFAOYSA-N 315.337 -0.652 30 20 DBED C#CCCCS(=O)(=O)NCCCn1c(=O)ccn(C)c1=O 918322654 KRVHUKGBMGOYFI-UHFFFAOYSA-N 313.379 -0.730 30 20 DBED O=C(NCC#CCO)NCCN1Cc2ccccc2OCC1=O 923759263 QLOPRYNMVNBCJY-UHFFFAOYSA-N 317.345 -0.298 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](NC(=O)[C@H]2CNC(=O)N2)[C@H](C)C1 939656906 XYZNSUACXBELQC-GMTAPVOTSA-N 308.382 -0.157 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)[C@@H]3COC(=O)N3)C2)[nH]1 940238897 TXXWOIXLCGTHGM-KOLCDFICSA-N 317.305 -0.675 30 20 DBED C=CCN1CCC[C@@H](N(C)C(=O)Cn2cnc(C(N)=O)n2)CC1 948381343 LSBGDLJNAKPERX-GFCCVEGCSA-N 320.397 -0.124 30 20 DBED C[C@@H](C#N)C(=O)N1CC(N(C)C(=O)[C@@H]2CCS(=O)(=O)C2)C1 954756305 UUAPCNKOEGSNNB-VHSXEESVSA-N 313.379 -0.750 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](CNC(=O)c2ccn(C)c(=O)c2)C1 958184146 WGDXUXCOZCNHIT-ZIAGYGMSSA-N 305.378 -0.016 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2ccnc3c2nnn3C)C1 958351038 WYVNVGBPUZHNQP-ZYHUDNBSSA-N 314.349 -0.981 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](NC(=O)CN2CCCNC2=O)[C@H](C)C1 958369123 YROYWZJJQFXIMA-IJLUTSLNSA-N 321.381 -0.476 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2cn3nccc3nc2C)C1 958556155 QHRVUSAMKKVFNQ-TZMCWYRMSA-N 313.361 -0.307 30 20 DBED N#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cnn3c2CCCC3)C1 958558345 GPSVYOKOALDVOK-SMDDNHRTSA-N 303.366 -0.235 30 20 DBED C#CCN1C[C@H]2C(NC(=O)c3c(OC)ncnc3OC)[C@@H]2C1 963063987 APARNMHEPVZTBN-NXEZZACHSA-N 302.334 -0.213 30 20 DBED CC#CCN1CCO[C@]2(CCN(C(=O)[C@@H]3COCCO3)C2)C1 972274562 ITRYPGDNCZGWGJ-GOEBONIOSA-N 308.378 -0.272 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)[C@H](C)S(C)(=O)=O)C2)C1 972435031 LIJKTRRAAVUZPI-GXTWGEPZSA-N 314.407 -0.644 30 20 DBED CCN1CCO[C@H](C(=O)N2CC[C@]3(CN(CC#N)CCO3)C2)C1 972682103 CRDQIBUICXFUQH-HOCLYGCPSA-N 322.409 -0.466 30 20 DBED N#Cc1cc(C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3COCCO3)C2)c[nH]1 973031200 LDJSZWQEEVFQAE-NQBHXWOUSA-N 318.333 -0.321 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H]2C[C@@H](NC(=O)Cn3cncn3)C2)c1 973994760 MMNIIOFZKSOUJY-PHIMTYICSA-N 313.321 -0.445 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)[C@H]3C[C@H]3C(=O)N(C)C)[C@H]2C1 977202582 KHZZMIDIQHAZKW-ISFYIQIJSA-N 318.377 -0.557 30 20 DBED C#CCN1C[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)C(C)(C)C1 977459232 FQRJLRHMHXQAJS-NSHDSACASA-N 314.349 -0.509 30 20 DBED C=CCCn1cc(C(=O)NC[C@H]2[C@@H]3CN(CC(N)=O)C[C@H]23)nn1 978813811 HWKIFZSDRGCOLG-CNDDSTCGSA-N 318.381 -0.753 30 20 DBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)C(N)=O)C1 978856967 XLBIGZSADJDCOW-RNJOBUHISA-N 323.393 -0.146 30 20 DBED C#CCN[C@H]1CCN(C(=O)c2ccc(=O)n(CCOC)n2)[C@@H]1C 986519157 XOOTVGPIEUIRIR-OLZOCXBDSA-N 318.377 -0.285 30 20 DBED C#CCN[C@H]1CN(C(=O)Cn2ccc(O)nc2=O)CC1(C)C 996010392 VOUCOECJTOMUNF-NSHDSACASA-N 304.350 -0.591 30 20 DBED C#CCCN1CCC(CNC(=O)c2nnc(O)nc2O)CC1 1001589121 OZZQYPMMRVQBPX-UHFFFAOYSA-N 305.338 -0.252 30 20 DBED CC(C)N1CCO[C@H](C(=O)NCC2CN(C(=O)[C@@H](C)C#N)C2)C1 1003793653 OSQRHZHZLMQYCX-JSGCOSHPSA-N 322.409 -0.170 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CN(C(=O)C(N)=O)CC1(C)C 1008192601 FMULQUMONHWTFE-WOPDTQHZSA-N 323.393 -0.194 30 20 DBED Cn1cnc(C(=O)NCC2[C@H]3CN(C(=O)C#CC4CC4)C[C@H]23)n1 1009021060 LPWKKHIEPZSLNQ-CHWSQXEVSA-N 313.361 -0.337 30 20 DBED C=CCN1CC[C@@H](N[C@H]2C[C@H](NC(=O)c3cnn(C)n3)C2)C1=O 1020744379 VDFLGLUEKSLWMB-IJLUTSLNSA-N 318.381 -0.548 30 20 DBED C=CCN1CC[C@@H](N[C@H]2C[C@H](NC(=O)Cn3cncn3)C2)C1=O 1021021427 QUPSIXQINFOUJH-JHJVBQTASA-N 318.381 -0.698 30 20 DBED Cc1cc(C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2O)no1 1022997955 WECCQSGUXXYXOG-CHWSQXEVSA-N 303.318 -0.302 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C(C)(C)C)C1 1025586295 WHUARPHJRGCKIM-HZSPNIEDSA-N 321.421 -0.182 30 20 DBED C#CCN[C@@H]1CC[C@@H]2CN(C(=O)c3cc(=O)n(C)cn3)C[C@H]21 1026287272 QQBDSMSPKDPBAB-JHJVBQTASA-N 300.362 -0.146 30 20 DBED Cc1ccc(=O)n(CC(=O)N2CCC[C@@H](N(C)CC#N)C2)n1 1027655647 ZKFKOCOWGVZLLR-CYBMUJFWSA-N 303.366 -0.002 30 20 DBED CC#CCN1CC(NC(=O)c2c3n(c(=O)n2C)CCCC3)C1 1030956984 QUMXPSUGPYLYAC-UHFFFAOYSA-N 302.378 -0.040 30 20 DBED C=CCN1CC[C@H](N2CC(CNC(=O)c3cnn[nH]3)C2)C1=O 1031807906 ITLAAGXJYHFJFC-LBPRGKRZSA-N 304.354 -0.747 30 20 DBED Cc1cn2nc(C(=O)N3C[C@@H]4C[C@H]3CN4CC#N)cc2c(=O)[nH]1 1032541840 HQSHRXNVJBTNOS-QWRGUYRKSA-N 312.333 -0.247 30 20 DBED C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC(=O)NC(=O)N1 1032653546 XOQJCLAUBCMOOW-SRVKXCTJSA-N 306.366 -0.164 30 20 DBED CC[C@@H](C(N)=O)N1CCO[C@@H](CNC(=O)c2c[nH]c(C#N)c2)C1 1035338733 QXMUDLSDFZKEHS-STQMWFEESA-N 319.365 -0.419 30 20 DBED N#CCN1CCO[C@H](CNC(=O)c2ccc3nc(O)[nH]c3n2)C1 1035485362 QQCBKGPTVZHRAJ-SECBINFHSA-N 316.321 -0.382 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@]1(O)CCN(C(=O)c2ccc[nH]2)C1 1039722444 WHIIZADXFSRHIW-MLGOLLRUSA-N 319.361 -0.254 30 20 DBED N#Cc1nccc(N2C[C@@H]3CCN(C(=O)c4nc[nH]n4)[C@@H]3C2)n1 1040684789 BSYIUNPWENDUMM-VHSXEESVSA-N 310.321 -0.183 30 20 DBED C#CCN1CCC2(CC1)CCN(C(=O)CN1CCOCC1=O)C2 1040729165 CTQPXWWUWVZOIT-UHFFFAOYSA-N 319.405 -0.207 30 20 DBED Cc1ocnc1C(=O)NCC1(O)CN(C(=O)CSCC#N)C1 1041810824 MEOOFYLKTCYLLL-UHFFFAOYSA-N 324.362 -0.457 30 20 DBED C=CCCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2nc[nH]n2)C1 1041873471 FJFSETFPIJBTIN-JTQLQIEISA-N 323.353 -0.911 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)[C@H]2CC2(C)C)C1 1042601705 XUDMVDKLBTVMMX-VXGBXAGGSA-N 308.378 -0.240 30 20 DBED C=C[C@@H](C)[C@@H](C)C(=O)N1CC(O)(CNC(=O)CC(=O)NC)C1 1042741218 IAJUKJBSFVONTO-GHMZBOCLSA-N 311.382 -0.730 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)c2[nH]cnc2C)C1 1042807245 QOGMYTTUBVYVTE-UHFFFAOYSA-N 304.350 -0.175 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(O)(CNC(=O)c2ccn(C)n2)C1 1043118832 MFKDYKHSORIMAY-CQSZACIVSA-N 322.365 -0.950 30 20 DBED Cc1cc(C(=O)NCC2(O)CN(C(=O)[C@@H](C)C#N)C2)c(C)nn1 1043209513 ZWMGOPDJCQSMMG-VIFPVBQESA-N 317.349 -0.444 30 20 DBED C=CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2cc[nH]c2)C1 1043578226 YVVIFUOHQBWWGQ-NSHDSACASA-N 307.350 -0.091 30 20 DBED C=CCN1[C@H]2CC[C@H]1CN(C(=O)c1cn(CC(N)=O)nn1)CC2 1045896466 PTQORMMWKGAUBN-RYUDHWBXSA-N 318.381 -0.372 30 20 DBED C=CCCN1CC[C@@H](N2CCN(C(=O)Cn3cnnn3)CC2)C1 1046002413 VUQLTMTUPHZJND-CQSZACIVSA-N 319.413 -0.532 30 20 DBED C=C1CC(C)(C(=O)NCC2(O)CN(C(=O)C3(C(N)=O)CC3)C2)C1 1046307264 QXXBCHOQXDXQKM-UHFFFAOYSA-N 321.377 -0.702 30 20 DBED N#Cc1nc(=N[C@H]2C[C@@H](CNC(=O)[C@@H]3CCC(=O)N3)C2)cc[nH]1 1046423003 RZUZUBVDQDYWPL-AXFHLTTASA-N 314.349 -0.645 30 20 DBED C#CCN1CC[C@@](C)(NC(=O)C2CC3(C2)NC(=O)NC3=O)C1 1046697409 IKAOKRQWPRFIBS-CIQACWJJSA-N 304.350 -0.812 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cc(CN(C)C)on2)C1 1047437766 ZUMDGRKKKKXHJR-KBPBESRZSA-N 306.366 -0.514 30 20 DBED C=CCCC(=O)N(C)[C@H]1CN(C(=O)CCNC(N)=O)C[C@@H]1O 1048531245 YLXOXLKWHDHEOR-QWRGUYRKSA-N 312.370 -0.959 30 20 DBED Cn1nc(C(=O)N2CCC[C@H]3[C@@H]2CCN3CC#N)ccc1=O 1049882110 VCVKMLWZDRSANE-STQMWFEESA-N 301.350 -0.017 30 20 DBED N#CCN1CCOC[C@H]1CNC(=O)c1cccc2ncnn12 1051009991 OTDPODIJVGEGGG-LLVKDONJSA-N 300.322 -0.317 30 20 DBED C#Cc1cncc(C(=O)NC[C@@H]2COCCN2C[C@H](C)O)c1 1051106520 MZUBGYXKHWPBAB-SWLSCSKDSA-N 303.362 -0.126 30 20 DBED N#CCN1CC2(C1)CN(C(=O)[C@H]1CCCCC(=O)N1)CCO2 1053421105 DAWIMYCOUNBNBU-GFCCVEGCSA-N 306.366 -0.518 30 20 DBED CC#CCN1CC2(CC[C@H](CNC(=O)[C@H]3CC(=O)N(C)C3)O2)C1 1053607423 UOFQDOSEYOWSNP-UONOGXRCSA-N 319.405 -0.162 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)c3cn4c(n3)CCC4)CO2)C1 1053806674 OJITWGQJYLJGNI-LLVKDONJSA-N 301.350 -0.074 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)c3cnn4ncccc34)CO2)C1 1053830614 HBOOEXPXGMQDGY-GFCCVEGCSA-N 311.345 -0.064 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)Cc3nonc3C)CO2)C1 1053971730 PFOXPUSRNLKZNB-GFCCVEGCSA-N 304.350 -0.097 30 20 DBED C[C@H]1CCN(C(=O)C(=O)N[C@@H]2COC3(C2)CN(CC#N)C3)C1 1053976665 HEFKIQGUYRVSDV-RYUDHWBXSA-N 306.366 -0.662 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)[C@@H]3CCN(C(C)=O)C3)CO2)C1 1053995525 ZAQZPGZTSWUYJF-CABCVRRESA-N 319.405 -0.162 30 20 DBED Cn1cc(CC(=O)N[C@H]2[C@@H]3CN(c4nccnc4C#N)C[C@@H]32)cn1 1056146211 FDEDCWHIZKJTNV-JYAVWHMHSA-N 323.360 -0.125 30 20 DBED Cc1c(C(=O)N[C@H]2[C@@H]3CN(c4nccnc4C#N)C[C@@H]32)nnn1C 1056176867 XDCWKQHRJRQWDQ-IWIIMEHWSA-N 324.348 -0.350 30 20 DBED N#Cc1ccc(N2C[C@@H]3C(NC(=O)[C@@]45COC[C@@H]4C5)[C@H]3C2)nn1 1056450978 JOOPBLFYBSTJFN-COAQGJIASA-N 311.345 -0.064 30 20 DBED CN1C[C@H](C(=O)N2CC[C@@H](Nc3ncccc3C#N)C2)NC1=O 1056744741 GLXLLCYNWXFJKQ-VXGBXAGGSA-N 314.349 -0.010 30 20 DBED C=CCO[C@H](C)C(=O)NCCN(CCO)C(=O)COCC 1056872619 NGMCXMFKHSUDNS-GFCCVEGCSA-N 302.371 -0.449 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)[C@@H](C)OCC1CC1 1057139094 XBSIRJXTDREQKA-VXGBXAGGSA-N 311.382 -0.102 30 20 DBED N#Cc1c[nH]c(C(=O)NCCN(CCO)C(=O)[C@@H]2CCOC2)c1 1057145616 FSLVWMWGUOPXLF-GFCCVEGCSA-N 320.349 -0.526 30 20 DBED N#Cc1nc(=N[C@H]2CCCN(C(=O)[C@H]3COCCO3)C2)cc[nH]1 1057589823 MCDGRVWKHWKGQS-NWDGAFQWSA-N 317.349 -0.412 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)C[C@H]1CCNC1=O 1057828206 NMPGOCUZNXVUPZ-GFCCVEGCSA-N 311.382 -0.584 30 20 DBED CCc1cnc(CC(=O)N(CCO)CCNC(=O)[C@H](C)C#N)[nH]1 1057964500 RZWURLOETCDYSY-LLVKDONJSA-N 321.381 -0.389 30 20 DBED C=CCC1(C(=O)N(CCO)CCNC(=O)C(N)=O)CCCC1 1058063366 HPHLBGFHTGRUPG-UHFFFAOYSA-N 311.382 -0.455 30 20 DBED N#Cc1ccc(N2CC[C@@H](NC(=O)CN3CCOCC3)C2)cn1 1058324805 UVBHWPPIBFJPFI-CQSZACIVSA-N 315.377 -0.020 30 20 DBED Cc1nsc(N2CC[C@@H](NC(=O)c3nnn(C)n3)C2)c1C#N 1058517011 YXSBGDQVPOPTIE-MRVPVSSYSA-N 318.366 -0.145 30 20 DBED C#CCO[C@H](C)C(=O)NCCN(CCO)C(=O)c1cccnn1 1058528033 RZQLKCDQVOXFAN-GFCCVEGCSA-N 320.349 -0.934 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)C[C@](C)(O)C1CC1 1058653388 UIEHSWNCWRAJAU-NHYWBVRUSA-N 311.382 -0.366 30 20 DBED Cc1ncncc1C(=O)NCCN(CCO)C(=O)[C@H](C)C#N 1058653481 WGVLDDSSDQZTEP-SNVBAGLBSA-N 305.338 -0.505 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)c1cccn(C)c1=O 1058655144 ROWTWTWUWYGSTL-NSHDSACASA-N 320.349 -0.904 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)c1cc(C2CC2)[nH]n1 1058933757 OKICLZNKEFCLDW-SNVBAGLBSA-N 319.365 -0.003 30 20 DBED Cc1nnc(CC(=O)N[C@H]2C[C@@H](N=c3cc[nH]c(C#N)n3)C2)o1 1059627543 ZGMZAWURAFVRMR-AOOOYVTPSA-N 313.321 -0.237 30 20 DBED N#Cc1cnc(N[C@H]2C[C@@H](NC(=O)[C@@H]3CC[C@@H]3C(N)=O)C2)cn1 1059784416 QRARRQHBOMYXPJ-BSJXLVFVSA-N 314.349 -0.081 30 20 DBED C=CCOCC(=O)NC1(CNC(=O)CC(=O)NCC)CCC1 1062829984 IUHCIDRZLBIKSD-UHFFFAOYSA-N 311.382 -0.130 30 20 DBED C[C@H]1CN(C(=O)c2cnn[nH]2)CC[C@H]1N=c1cc[nH]c(C#N)n1 1063807213 BQHDYQJYYYIWND-VHSXEESVSA-N 312.337 -0.149 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CCCN(C(=O)[C@H]2CNC(=O)N2)CC1 1066147252 HGZWITCPADWBIE-CHWSQXEVSA-N 320.393 -0.176 30 20 DBED CCc1nc(C#N)cc(NC[C@H]2CN(C(=O)C(N)=O)CCO2)n1 1066667821 ARERJLABDQPMOL-JTQLQIEISA-N 318.337 -0.965 30 20 DBED N#Cc1nccc(N2C[C@H]3C(CNC(=O)c4nc[nH]n4)[C@@H]3C2)n1 1068181019 VHHDUOBZOMXIIP-UWVGGRQHSA-N 310.321 -0.421 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CC[C@@H](CNC(=O)CCN(C)C)O2)C1 1068624709 RCTTWZHFVXGOHG-OLZOCXBDSA-N 322.409 -0.026 30 20 DBED CO[C@@H](C)C(=O)N[C@H]1COC2(C1)CN(C(=O)C#CC1CC1)C2 1068732039 HLGCBHPSUBLYAH-WCQYABFASA-N 306.362 -0.079 30 20 DBED CN(C(=O)Cc1nc[nH]n1)C1CC(N=c2cc[nH]c(C#N)n2)C1 1069771272 GEWJLJXVVKFVIA-UHFFFAOYSA-N 312.337 -0.468 30 20 DBED C#Cc1ccc(C(=O)N2C[C@H](n3ccnn3)[C@H](NCC#N)C2)cn1 1070313255 BUIXNACRLVXMFQ-CABCVRRESA-N 321.344 -0.167 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)Cc2nonc2C)CC1 1071013146 SDSNWWHOYRKZKH-UHFFFAOYSA-N 321.381 -0.243 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(C(=O)c2ccc[nH]2)C[C@@H]1C 1071591167 IQNVJEKRQYVUMG-WCQYABFASA-N 316.361 -0.269 30 20 DBED C=CCOCC(=O)N1C[C@H](C)[C@H](NC(=O)c2ncn(C)n2)C1 1071807878 BYIPNBOJTTXACS-WDEREUQCSA-N 307.354 -0.406 30 20 DBED C=CCOCC(=O)N1C[C@H](C)[C@H](NC(=O)Cn2nccn2)C1 1071810400 AGGIRSWFLGSYNQ-NWDGAFQWSA-N 307.354 -0.556 30 20 DBED C=CCOCC(=O)N[C@H]1CN(C(=O)c2[nH]nnc2C)C[C@H]1C 1072492865 IFJGBRYFGKZWGX-KOLCDFICSA-N 307.354 -0.108 30 20 DBED COC[C@H](C)C(=O)N1CCN(C2CN(C(=O)[C@@H](C)C#N)C2)CC1 1073553433 XNOFZKLDWUFULT-STQMWFEESA-N 322.409 -0.216 30 20 DBED N#CCN1CCCO[C@H](CNC(=O)c2cc(C(N)=O)co2)C1 1073767294 XIZGIRQNICKVMD-LLVKDONJSA-N 306.322 -0.277 30 20 DBED N#Cc1cc(C(=O)N2CC[C@@H]3OCCN(CC(N)=O)[C@H]3C2)c[nH]1 1074212110 KFWKLMAEDCPRQH-STQMWFEESA-N 317.349 -0.713 30 20 DBED C=CCCN1CCO[C@@H]2CCN(C(=O)c3nnn(C)n3)C[C@@H]21 1074316999 IRQWPSVXQHMRKH-NWDGAFQWSA-N 306.370 -0.299 30 20 DBED C=CCN1CCO[C@H]2CCN(C(=O)c3ccc(=O)n(C)n3)C[C@H]21 1074399462 FJOXCCJUHUWJJR-KGLIPLIRSA-N 318.377 -0.118 30 20 DBED CC(C)N(C)CC(=O)NCC1(O)CCN(C(=O)[C@@H](C)C#N)CC1 1074705863 BNKARCYCQOBYDD-ZDUSSCGKSA-N 324.425 -0.044 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)c1ccccn1 1075370408 VOYFZHWZCOWTPI-LBPRGKRZSA-N 316.361 -0.154 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)c2cc(O)nc(C3CC3)n2)C1 1077194004 UXOFBBFXSLQRRT-CHWSQXEVSA-N 316.361 -0.142 30 20 DBED CCN(C(=O)c1c[nH]c(C#N)c1)C1CN(C(=O)CNC(C)=O)C1 1079641047 SOWNXWAXHTXGAZ-UHFFFAOYSA-N 317.349 -0.305 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CO)(NC(=O)[C@H]2CCN(C)C2)CC1 1080865347 RKLKPLHEAABJGH-STQMWFEESA-N 322.409 -0.433 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)C2=COCCO2)C[C@@H]1O 1081332299 DFOQIUBHQBGQPU-RYUDHWBXSA-N 310.350 -0.224 30 20 DBED Cc1cc(C(=O)N2C[C@H](O)[C@H](CNC(=O)C#CC(C)C)C2)n[nH]1 1081464276 XTLUIOTWCAPMKD-OCCSQVGLSA-N 318.377 -0.073 30 20 DBED Cc1nc[nH]c1C(=O)N1C[C@@H](O)[C@H](CNC(=O)C#CC2CC2)C1 1081474157 NZYPLTRVFURXIE-CHWSQXEVSA-N 316.361 -0.319 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN([C@H](C)C(N)=O)C[C@H]2OC)nc1 1082331496 QIDGLYMJGGZXJK-LERXQTSPSA-N 316.361 -0.634 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1ccoc1CC(N)=O 1083176585 BQWQQVBWXBICDK-GXTWGEPZSA-N 317.345 -0.534 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1 1083469788 JLOANGXYJOHVAB-HKWIRBFKSA-N 315.801 -0.185 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)c2cccc(OCC(N)=O)c2)C1 1083503984 KQXLPUUNVLEJLG-KGLIPLIRSA-N 319.361 -0.488 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2sccc2-n2ccnn2)C1 1083552528 JFPMMFOBXDZPPH-KOLCDFICSA-N 318.362 -0.373 30 20 DBED CO[C@H]1C[C@H](C(=O)N(C)C[C@H]2CCN2CC#N)N(C(C)=O)C1 1085743307 LBENNTAIXKJIQL-HZSPNIEDSA-N 308.382 -0.322 30 20 DBED CCC(=O)NCC(=O)N[C@H](C)C[C@H](C)N=c1cc[nH]c(C#N)n1 1089259616 ONOFVLXYHKOOCP-WDEREUQCSA-N 318.381 -0.008 30 20 DBED Cn1cnc2cc(C(=O)N[C@H]3CCN(CC#N)C[C@@H]3O)cnc21 1090477353 VKEYRPPXUFQGCX-AAEUAGOBSA-N 314.349 -0.343 30 20 DBED C#CCN1CC[C@@H](NC(=O)Cn2c(C)csc2=O)[C@H](O)C1 1090797177 VGGMGTXBPSSOAF-VXGBXAGGSA-N 309.391 -0.597 30 20 DBED COC[C@H](C)C(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1OC 1090868067 JFINDRGRKRUSKH-CYZMBNFOSA-N 319.365 -0.049 30 20 DBED COc1ccnc(N2C[C@H](O)[C@H](NC(=O)C#CC3CC3)C2)n1 1091098005 VVHHKSWEEKKESO-NEPJUHHUSA-N 302.334 -0.436 30 20 DBED C=CCN1CC[C@@H](NC2CC(CNC(=O)c3cnn[nH]3)C2)C1=O 1091115281 IYXWJJLKVWIAEE-HTAVTVPLSA-N 318.381 -0.310 30 20 DBED C=CCN1CC(OC2CCN(C(=O)[C@@H]3COC(=O)N3)CC2)C1 1093532879 LJTOVLOEZLXFES-ZDUSSCGKSA-N 309.366 -0.027 30 20 DBED Cc1cc(C#N)nc(NCCNC(=O)[C@H]2CCS(=O)(=O)C2)n1 1093978510 OZTKOEQVJXKARW-JTQLQIEISA-N 323.378 -0.381 30 20 DBED Cc1cc(C#N)nc(NCCNC(=O)CCc2cnn(C)n2)n1 1094121836 XCHWJJGFAYVVGO-UHFFFAOYSA-N 314.353 -0.054 30 20 DBED C#CCN1CC(n2cc(CNC(=O)c3cnn(CC)n3)nn2)C1 1094288164 GIJBUCYWTKBHMM-UHFFFAOYSA-N 314.353 -0.691 30 20 DBED C[C@H](CC(=O)NCCCNc1nccnc1C#N)NC(N)=O 1094593692 JAUDAAIFRNCMTH-SECBINFHSA-N 305.342 -0.287 30 20 DBED Cc1cc(C#N)nc(NCCCNC(=O)[C@H]2CCNC2=O)n1 1094706895 KPQMDKANOIXNHL-LLVKDONJSA-N 302.338 -0.289 30 20 DBED C#CCCN1CC(N2C[C@H](NC(=O)c3cncn3C)CC2=O)C1 1094753517 MMHGEYUWVLGRLA-GFCCVEGCSA-N 315.377 -0.542 30 20 DBED CC(=O)NCC(=O)N1CCC[C@H](Nc2ccc(C#N)nn2)C1 1095273133 PYWFRTXEASNVOZ-LBPRGKRZSA-N 302.338 -0.113 30 20 DBED COCC(=O)NCCN1CCN(c2ccc(C#N)nn2)CC1 1096266151 GWKIUPJFFNYTDA-UHFFFAOYSA-N 304.354 -0.767 30 20 DBED N#Cc1nccnc1N1CC[C@@H](NC(=O)C(=O)NCC2CC2)C1 1096417292 INNPLHSTEJPESP-LLVKDONJSA-N 314.349 -0.431 30 20 DBED CCNC(=O)CC(=O)N[C@H]1C[C@@H](Nc2cnc(C#N)cn2)C1 1097176906 ZUPAZZLWDYOLID-AOOOYVTPSA-N 302.338 -0.066 30 20 DBED CNC(=O)C1(C(=O)N[C@H]2C[C@@H](N=c3cc[nH]c(C#N)n3)C2)CC1 1097197848 OMPMVHWLVYEHBX-AOOOYVTPSA-N 314.349 -0.645 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)N=c1cc[nH]cc1C#N 1098213627 LZIDNMDTZUTECK-CABZTGNLSA-N 302.338 -0.685 30 20 DBED Cc1cc(C#N)nc(N[C@@H](C)CNC(=O)c2c[nH]c(=O)cn2)n1 1098220850 PPSHNMYEZHTHKG-VIFPVBQESA-N 313.321 -0.030 30 20 DBED C[C@H](CNC(=O)C[C@H]1CCCC(=O)N1)N=c1cc[nH]c(C#N)n1 1098410555 BEDNUYFNJLXQEX-GHMZBOCLSA-N 316.365 -0.254 30 20 DBED C[C@@H](CCNC(=O)[C@@H]1COC(=O)N1)Nc1cncc(C#N)n1 1099078587 ZTYOQWPVNZVQPY-WPRPVWTQSA-N 304.310 -0.237 30 20 DBED C[C@@H](CCNC(=O)[C@@H]1CCNC1=O)N=c1cc[nH]c(C#N)n1 1099617268 SPGITICTXVGVAC-UWVGGRQHSA-N 302.338 -0.787 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)c2ccc[nH]2)[C@@H](O)C1 1099655037 VYZGDWIBIJNSPC-YPMHNXCESA-N 306.366 -0.518 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)c2coc(C)n2)[C@H](O)C1 1099792679 XYWYZROTGQWABO-DGCLKSJQSA-N 322.365 -0.550 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CNC(=O)C2CCCC2)[C@@H](O)C1 1099848508 VWCBKVHIYCQWPI-CABCVRRESA-N 321.421 -0.133 30 20 DBED C#CCC1(C(=O)N[C@@H]2CCN(CC(=O)N(C)C)C[C@H]2O)CCC1 1099873943 CLXZORMBJAOBBQ-ZIAGYGMSSA-N 321.421 -0.180 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCN(CCOCC)C[C@H]2O)nn1 1100027348 PJCHMJAQFZUCGP-TZMCWYRMSA-N 323.397 -0.334 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2ccnc(C)n2)[C@@H](O)C1 1100113609 CUHZNHHOPAWBGW-ZFWWWQNUSA-N 318.377 -0.400 30 20 DBED C#CCCN1CC[C@H](NC(=O)CS(=O)(=O)CCC)[C@H](O)C1 1100114975 XETOSVVVYVMVCT-QWHCGFSZSA-N 316.423 -0.614 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)c2[nH]cnc2C)[C@H](O)C1 1100145406 KRABKDKXHYLIDX-VXGBXAGGSA-N 321.381 -0.815 30 20 DBED CCN(CCNC(=O)Cn1cncn1)c1ccc(C#N)nn1 1100527930 AWMCGEOPLXHUNA-UHFFFAOYSA-N 300.326 -0.418 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CC(CNC(=O)Cc2cnc[nH]2)C1 1100710575 XSUIAJUQNFZDNZ-PNESKVBLSA-N 317.393 -0.426 30 20 DBED COC(=O)NCC(=O)NC[C@H]1CCCN1c1cncc(C#N)n1 1100803026 VTOBVNJXTWQFMA-LLVKDONJSA-N 318.337 -0.211 30 20 DBED CC(=O)N[C@H](C)C(=O)NC[C@@H]1CCN(c2ccc(C#N)nn2)C1 1100921669 KZMUDQGRSJBGDY-PWSUYJOCSA-N 316.365 -0.185 30 20 DBED CC#CCNC1CC(CNC(=O)CN2C(=O)CN(C)C2=O)C1 1100954536 GPBLFDRRSPCZTK-UHFFFAOYSA-N 306.366 -0.612 30 20 DBED N#Cc1nccc(N2CC[C@H](CNC(=O)CCNC(N)=O)C2)n1 1100980085 IJCXEKSXKXGPJP-SNVBAGLBSA-N 317.353 -0.651 30 20 DBED C=CCCNC1CC(CNC(=O)[C@H]2CCS(=O)(=O)N2)C1 1100991058 NXVZZMJSMWKOPU-HTAVTVPLSA-N 301.412 -0.261 30 20 DBED CN(CCNc1nccnc1C#N)C(=O)C[C@@H]1CCNC1=O 1101823035 LUYPVSLTNNSHGX-JTQLQIEISA-N 302.338 -0.255 30 20 DBED CN(CCN=c1cc[nH]cc1C#N)C(=O)[C@@]1(C)CCNC1=O 1101959283 NQHMVQVWYURXHW-HNNXBMFYSA-N 301.350 -0.228 30 20 DBED CN(CCNc1cnc(C#N)cn1)C(=O)CCc1cnn(C)n1 1101968812 OYVBRQMAHPOATM-UHFFFAOYSA-N 314.353 -0.020 30 20 DBED COCC#CCN1C[C@@H](C)[C@H](CNC(=O)[C@]2(C)CNC(=O)C2)C1 1102179773 LFYBBNNZBHJFCM-CPUCHLNUSA-N 321.421 -0.154 30 20 DBED CC(=O)N[C@@H](C)C(=O)N(C)[C@H]1CCN(c2cncc(C#N)n2)C1 1102667944 AQGTULCPWMOFSB-GWCFXTLKSA-N 316.365 -0.090 30 20 DBED N#Cc1cnc(N2CCC(CCNC(=O)C(N)=O)CC2)cn1 1103699167 CIWRIJZRCLYCSR-UHFFFAOYSA-N 302.338 -0.444 30 20 DBED C[C@@H](CNC(=O)CS(C)(=O)=O)CNc1nccnc1C#N 1103865729 BPOLXFSBTFHAHP-VIFPVBQESA-N 311.367 -0.443 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCNC1=O)CNc1nccnc1C#N 1104157144 GJGCJKRPSIHMKH-ZJUUUORDSA-N 302.338 -0.351 30 20 DBED C[C@H](CNC(=O)[C@H]1CCN(C)C1=O)CNc1nccnc1C#N 1104159252 NAVDNAITRJNTAW-WDEREUQCSA-N 316.365 -0.009 30 20 DBED CC[C@H](NC(C)=O)C(=O)NC[C@@H](C)CN=c1cc[nH]c(C#N)n1 1104210661 WBQRJIUGTBPZST-JQWIXIFHSA-N 318.381 -0.151 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNc1cc(-n2ccnc2)ncn1 1105773517 IYYPMIITUNADKO-QWRGUYRKSA-N 315.337 -0.289 30 20 DBED CCNC(=O)CC(=O)NC[C@H](O)CNc1nc(C)ccc1C#N 1105794508 GPAKTHVCCIXGMK-LBPRGKRZSA-N 319.365 -0.323 30 20 DBED CNC(=O)CC(=O)NC[C@@H](O)CNc1ncc(C#N)cc1F 1105798761 KRPYGIHLEKSKKA-SECBINFHSA-N 309.301 -0.883 30 20 DBED CC(C)N(C)CC(=O)NC[C@@H](O)CNc1nccnc1C#N 1105868571 BXHCIGKWJCQJEM-LLVKDONJSA-N 306.370 -0.423 30 20 DBED Cc1ncn(C)c1C(=O)NC[C@@H](O)CN=c1cc[nH]cc1C#N 1105999345 PBYXIGOAHKZDDX-LBPRGKRZSA-N 314.349 -0.380 30 20 DBED Cc1nc(O)[nH]c1C(=O)NC[C@@H](O)CNc1ncccc1C#N 1106000561 HYYUYUOQHSNOSV-JTQLQIEISA-N 316.321 -0.107 30 20 DBED CN(C)CCCC(=O)NC[C@H](O)CNc1ccc(C#N)nn1 1106076405 SOXMEROSFNAVKG-GFCCVEGCSA-N 306.370 -0.421 30 20 DBED COC[C@H](OC)C(=O)NC[C@H](O)CN=c1cc(C)[nH]cc1C#N 1106088171 ZXHWNENDMPTHJX-OCCSQVGLSA-N 322.365 -0.766 30 20 DBED C[C@@H](CCNc1ccc(C#N)nn1)NC(=O)CN1CCOCC1 1106279947 PXRIRHFEUOJHML-LBPRGKRZSA-N 318.381 -0.013 30 20 DBED Cc1cc(C#N)nc(NCC[C@H](C)NC(=O)[C@@H]2CNC(=O)N2)n1 1106542405 GJHNPIZGXZIELK-KWQFWETISA-N 317.353 -0.355 30 20 DBED CCC(=O)NCC(=O)NC/C=C/CNc1cnc(C#N)cn1 1107077893 DLECSHKWKVBMMS-ONEGZZNKSA-N 302.338 -0.041 30 20 DBED C#CCN1CC(n2cc(CNC(=O)CCOCCOC)nn2)C1 1107240643 DMQMMCWNUNORPN-UHFFFAOYSA-N 321.381 -0.563 30 20 DBED COCCOCCC(=O)NC/C=C/CN=c1cc[nH]c(C#N)n1 1107243109 PSDBXFFKULXVOQ-NSCUHMNNSA-N 319.365 -0.092 30 20 DBED COCC#CCN1CCO[C@](C)(CNC(=O)c2cc[nH]n2)C1 1107759930 XTXSGUJSXQAPJF-OAHLLOKOSA-N 306.366 -0.120 30 20 DBED C=CCCC(=O)NC[C@@]1(C)CN(Cc2nnnn2C)CCO1 1107802578 UWXGATNHGITFTO-AWEZNQCLSA-N 308.386 -0.117 30 20 DBED C#CCNC(=O)CN1CCO[C@@](C)(CNC(=O)[C@@H](C)C#N)C1 1107821982 YVHDSWUPLWYGTM-WFASDCNBSA-N 306.366 -0.897 30 20 DBED C#CCCN1CCO[C@](C)(CNC(=O)[C@H]2COCCN2C)C1 1107883399 SMXADOJNVWQZLL-GDBMZVCRSA-N 309.410 -0.453 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)[C@H]2CC(=O)N(CC)C2)C1 1107983480 METUQUNPGOQNMN-BBRMVZONSA-N 307.394 -0.305 30 20 DBED C[C@@H](CNc1cnc(C#N)cn1)NC(=O)Cn1cnnc1O 1108314948 DKJOITJKKKZULH-QMMMGPOBSA-N 302.298 -0.738 30 20 DBED COCC#CCN1CC(N2C[C@H](NC(=O)C(F)F)CC2=O)C1 1108494627 MKNLEBONRPJMGK-SNVBAGLBSA-N 315.320 -0.697 30 20 DBED CCN1CCOC[C@@H]1C(=O)N[C@@H](C)CNc1cncc(C#N)n1 1108597925 CVDVYIDQAQPYDO-WCQYABFASA-N 318.381 -0.014 30 20 DBED CN(CCCN=c1cc[nH]c(C#N)n1)C(=O)[C@@H]1CCC(=O)N1C 1109586897 OCTJZLKKTOJRJP-NSHDSACASA-N 316.365 -0.349 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1[C@H]2C[C@H]1N(c1ccc(C)nn1)C2 1109704346 RHWVRAYJOHYZMP-OZVIIMIRSA-N 313.361 -0.382 30 20 DBED CNC(=O)NCC(=O)N[C@H]1[C@H]2C[C@H]1N(c1ccc(C#N)cn1)C2 1109743442 RJCWNVHXUSUEGD-WDMOLILDSA-N 314.349 -0.424 30 20 DBED C=CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C[C@H](NC(C)=O)C(N)=O 1109806840 SYLCBERVTGMGPP-VOAKCMCISA-N 308.382 -0.726 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(c2cnc(F)cn2)C[C@@H]1O 1112721056 UJNGNGZQAUHSOD-RYUDHWBXSA-N 304.325 -0.058 30 20 DBED Cc1cc(=NCC2CC(NC(=O)CC(N)=O)C2)c(C#N)c[nH]1 1112825608 URZUSIDKZXDZOY-UHFFFAOYSA-N 301.350 -0.134 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCN(CCOCCO)CC1 1112977223 RPOWSFKKJCNCGY-HNNXBMFYSA-N 309.410 -0.763 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CN(C)CCO1)N(C)c1cncc(C#N)n1 1113534345 XZAPUSBMVTYTBA-AAEUAGOBSA-N 318.381 -0.380 30 20 DBED C[C@H](NC(N)=O)C(=O)NC[C@H](C)N(C)c1cnc(C#N)cn1 1113576319 KSDLLBMZKOZDJS-IUCAKERBSA-N 305.342 -0.654 30 20 DBED C[C@@H]1CCN(c2nccnc2C#N)C[C@@H]1NC(=O)CNC(N)=O 1113996852 BBAYMCROKZLMLJ-KOLCDFICSA-N 317.353 -0.652 30 20 DBED C=CCC1(C(=O)NC2[C@@H]3CN(CC(=O)NC(N)=O)C[C@@H]23)CCC1 1114783516 QNUJJQPBUDIDRJ-GHMZBOCLSA-N 320.393 -0.026 30 20 DBED C#CCCN1C[C@@H]2C(NC(=O)COCc3ncnn3C)[C@H]2C1 1115055799 NREBEXGJIYTNFZ-RYUDHWBXSA-N 303.366 -0.599 30 20 DBED Cc1c[nH]cc1C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1115236043 SYUHRBMXMRJDPM-IMRBUKKESA-N 301.350 -0.377 30 20 DBED C[C@@H](CN(C)C(=O)CS(C)(=O)=O)Nc1cncc(C#N)n1 1115632448 MXPMDCZXWKUPTA-VIFPVBQESA-N 311.367 -0.348 30 20 DBED C#CCNC1(CNC(=O)C[C@H](NC(C)=O)C(N)=O)CCCCC1 1115761210 OFMCXJYNQPKFGW-ZDUSSCGKSA-N 322.409 -0.592 30 20 DBED CNC(=O)CNC(=O)c1cccc(NCC(=O)NCCC#N)c1 1116914573 VYZNEUQGWCXCRJ-UHFFFAOYSA-N 317.349 -0.396 30 20 DBED N#C[C@@]1(F)CCN(C(=O)C(=O)NCCCO[C@H]2CCOC2)C1 1117534659 VHUZKLWRPGDSHQ-FZMZJTMJSA-N 313.329 -0.238 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCCCN2C2CC2)CCO1 1117611647 GMKFVYOWDHTISC-UONOGXRCSA-N 320.393 -0.130 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CC[C@](O)(CC)C2)nn1 1118116110 POGZQXOWHVYRPZ-CQSZACIVSA-N 307.354 -0.546 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N[C@H](C)c2cnn(C)c2)nn1 1118175170 URDRMXBWUSWXQM-SNVBAGLBSA-N 317.353 -0.309 30 20 DBED C=CCN(C(=O)C(=O)NCCCN(C)S(C)(=O)=O)C(C)C 1118619195 GHRIZATUQKIUPA-UHFFFAOYSA-N 319.427 -0.193 30 20 DBED C=CCC1(O)CCN(C(=O)c2cnn(C[C@@H](O)CO)c2)CC1 1119622621 QKNWBAVAJWQUOI-CYBMUJFWSA-N 309.366 -0.221 30 20 DBED Cc1nn(C)cc1C(=O)NC[C@@H](CO)N=c1cc[nH]cc1C#N 1121212157 BSACAPMLNQGSRR-LBPRGKRZSA-N 314.349 -0.380 30 20 DBED Cc1cc(C#N)nc(N[C@@H](CO)CNC(=O)c2ccncn2)n1 1121949618 UUAODGHCGQODBQ-LLVKDONJSA-N 313.321 -0.351 30 20 DBED Cc1cc(C#N)nc(N[C@@H](CO)CNC(=O)Cc2ncc[nH]2)n1 1121976943 JJWAENZCLUGCLZ-LLVKDONJSA-N 315.337 -0.489 30 20 DBED COCC1(C(=O)NC[C@H](CO)Nc2cnc(C#N)cn2)CC1 1122246399 PNCQNUZTQSOTJK-LLVKDONJSA-N 305.338 -0.336 30 20 DBED C[C@H](CC(N)=O)C(=O)NC[C@@H](CO)Nc1ncccc1C#N 1122354133 GVYKIJVHCMUMGF-KOLCDFICSA-N 305.338 -0.646 30 20 DBED N#Cc1cnc(N[C@@H](CO)CNC(=O)CCc2cn[nH]c2)cn1 1122703663 GNCUYRDHWDZJQN-GFCCVEGCSA-N 315.337 -0.407 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)c1cn(C)cn1 1124246166 LJFYKLYSFXSVFU-SNVBAGLBSA-N 315.337 -0.951 30 20 DBED CC(C)C#CC(=O)N(C)C[C@H](O)CNc1nccn2nnnc12 1124278227 GERIKWVQNXTMJG-LLVKDONJSA-N 317.353 -0.590 30 20 DBED Cc1nc[nH]c1C(=O)N(C)C[C@H](O)CNc1cncc(C#N)n1 1124399766 YLHWTRDEQVDJIT-LLVKDONJSA-N 315.337 -0.075 30 20 DBED Cc1ccc(C#N)c(NC[C@H](O)CN(C)C(=O)c2nc[nH]n2)n1 1124461485 ZIEJMRJHVMBTOE-NSHDSACASA-N 315.337 -0.075 30 20 DBED C=C(Br)CNCCNC(=O)[C@H]1CN(C)CCO1 1125213064 APYJLVWAFZGPIM-SNVBAGLBSA-N 306.204 -0.069 30 20 DBED C=CCNC(=O)CNCCNC(=O)CCNC(=O)[C@@H]1C[C@H]1C 1128634610 UCIATHXIXNVMTF-VXGBXAGGSA-N 310.398 -0.843 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1cnc(C)nc1OC 1128918493 JGBVBLPKLJDFFS-JTQLQIEISA-N 319.365 -0.749 30 20 DBED N#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)CCc2ncc[nH]2)C1 1128944782 HZWXTTHJEVWHSV-NEPJUHHUSA-N 314.353 -0.501 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1c(Cl)n[nH]c1C 1129012525 MZSHFCFCCUIKHR-SECBINFHSA-N 311.773 -0.171 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cc(O)nc(C2CC2)c1 1129206245 JBFXGBCWYIMSMN-UHFFFAOYSA-N 316.361 -0.267 30 20 DBED CCc1[nH]nc(Cl)c1C(=O)NCCNCC(=O)NCC#N 1129213515 RCTFNVHBCOBKJX-UHFFFAOYSA-N 312.761 -0.415 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CCN(CC(C)C)C1 1129328399 PDIGAKAPTYFOJY-LSDHHAIUSA-N 322.453 -0.192 30 20 DBED C=C(C)CN[C@@H]1CN(C(=O)CCNC(N)=O)C[C@@H]1n1ccnn1 1130118383 DSENBDCTMADEJI-NEPJUHHUSA-N 321.385 -0.746 30 20 DBED CO[C@H]1C[C@@H](c2n[nH]c(CNC(=O)[C@@H](C)C#N)n2)N(CC#N)C1 1130258100 KLQVEKZNBVNSMR-DCAQKATOSA-N 317.353 -0.134 30 20 DBED CNS(=O)(=O)CCC(=O)N[C@H]1CC[C@H](C)N(CC#N)C1 1132039259 XQBNTJGMICXCJM-QWRGUYRKSA-N 302.400 -0.582 30 20 DBED C=CCOCCNC[C@H]1CN(C(=O)Cn2cnnn2)CC[C@H]1C 1132616567 ANBUWLXGBHUCIJ-KGLIPLIRSA-N 322.413 -0.050 30 20 DBED C[C@H]1CCN(C(=O)CN2CCN(C)C(=O)C2)C[C@H]1CNCC#N 1132934158 ZTZSLFXLCRLURI-UONOGXRCSA-N 321.425 -0.642 30 20 DBED C[C@@H](C[C@@H](C)NCC(=O)NCC#N)NC(=O)CCn1cccn1 1133726764 OLKGLOVZNBFAKF-OLZOCXBDSA-N 320.397 -0.214 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)CNC(=O)C1CC1 1133772813 CJXDQYDEQUQVOO-NWDGAFQWSA-N 322.409 -0.865 30 20 DBED Cc1nc(O)[nH]c1C(=O)N[C@H](C)C[C@@H](C)NCC(=O)NCC#N 1134685879 WDNPJVYUKMNWJW-RKDXNWHRSA-N 322.369 -0.450 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)c1cn(C)c(O)n1 1135386305 FDWFJJZWMFDTGO-MNOVXSKESA-N 321.381 -0.638 30 20 DBED CNS(=O)(=O)CC(=O)N[C@@H](C)C[C@H](C)NCC#CCOC 1146466339 UUHPJBYJTOMRSJ-RYUDHWBXSA-N 319.427 -0.942 30 20 DBED CS[C@H](C)C(=O)N1CC2(CCN(CC(=O)NCC#N)C2)C1 1147034025 KVLLYGUXAGKDGU-LLVKDONJSA-N 310.423 -0.088 30 20 DBED C=CCNC(=O)CN(CC)[C@H](C)CNC(=O)c1ccc(O)nn1 1151705734 BPWVIGKCHOALOX-LLVKDONJSA-N 321.381 -0.075 30 20 DBED N#Cc1c[nH]c(C(=O)NCCCN[C@H]2CCC(=O)NC2=O)c1 1156281784 DPOGUUUJHZVTFL-JTQLQIEISA-N 303.322 -0.599 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)[C@H]1C[C@H]1C(=O)N(C)C 1166772669 LDZVLBOJRSSSFE-RWMBFGLXSA-N 324.425 -0.503 30 20 DBED C#CCNCC1(CCNC(=O)CN2C(=O)CN(C)C2=O)CC1 1168023747 MPOBMVDCSXBCHS-UHFFFAOYSA-N 306.366 -0.610 30 20 DBED C=C(Cl)CNCCCNC(=O)Cn1[nH]cc2c(=O)ncnc1-2 1168641160 DXNQSPINUSJBPU-UHFFFAOYSA-N 324.772 -0.080 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H]2CC[C@H]1[C@@H](CNCCO)C2 1177711335 MKZJMMZLDOTVFN-MJBXVCDLSA-N 307.394 -0.665 30 20 DBED C#CCCN[C@@H]1CCN(C(=O)[C@H](Cc2cnc[nH]2)NC(C)=O)C1 1185377219 DFIDVIITRGBZGW-HIFRSBDPSA-N 317.393 -0.329 30 20 DBED N#CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3cncs3)[C@@H]2C1 1187055894 XSMALFCUVTVADP-WDEREUQCSA-N 319.390 -0.071 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)CNC(=O)[C@H](C)CC)C1 1187921471 JHAXMLWRXDWNKW-CHWSQXEVSA-N 324.425 -0.359 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)Cc3ncc[nH]3)[C@@H]2C1 1189530133 FJOQJPXMLUOOEK-QWHCGFSZSA-N 315.377 -0.766 30 20 DBED C#CCN1C[C@@H]2CCN(C(=O)C(=O)NCC(F)(F)F)[C@@H]2C1 1189583115 DYAOVPUZVARUEB-VHSXEESVSA-N 303.284 -0.169 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2cn(C)cn2)C1 1189640447 APIYDPILWKYOMY-LBPRGKRZSA-N 305.382 -0.131 30 20 DBED CN(CC(=O)NCC#N)[C@H]1CCN(C(=O)c2ccn(C)c2)C1 1189642863 VIRKFCBFFUMPOI-ZDUSSCGKSA-N 303.366 -0.189 30 20 DBED Cc1sccc1C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1O 1192804443 CHKGKUBAMOEYAU-VXGBXAGGSA-N 322.390 -0.529 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)c2ccsn2)C1 1194023997 UIVKOBRIDWVXBE-MVWJERBFSA-N 322.390 -0.944 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)[C@H](C)S(C)(=O)=O)C1 1194136757 MEGAVIJBEAWIAC-IVZWLZJFSA-N 310.803 -0.667 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 1194825591 YXKSZIUAMAHHLU-AALSBFMBSA-N 322.405 -0.387 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCCN([C@H]2CCC(=O)NC2=O)CC1 1195681856 KVMNGJSTPAOMMF-LRDDRELGSA-N 323.393 -0.347 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCCN(C(=O)CC(=O)N(C)C)CC1 1197388667 ICWGWDMSFDMHCQ-CYBMUJFWSA-N 322.409 -0.863 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2ncnn2CC)C[C@H]1O 1199312303 DPLDWPWUJWYXJK-JHJVBQTASA-N 323.397 -0.450 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCCO[C@H](CNCCCO)C1 1200722127 UNAGADLCFGYNRN-CVEARBPZSA-N 323.437 -0.327 30 20 DBED C=CCOCCNC[C@@H]1CN(C(=O)c2cnn(C)n2)CCCO1 1201629344 FXACHRKAZPBPAM-CYBMUJFWSA-N 323.397 -0.162 30 20 DBED C#CCCNC[C@H]1CN(C(=O)C2(C(=O)NC)CC2)CCCO1 1201650265 XEMLQEMJPPWJIT-ZDUSSCGKSA-N 307.394 -0.257 30 20 DBED CCC[C@@H](NC(N)=O)C(=O)N1CCCO[C@H](CNCC#N)C1 1201952056 GUOVBYAYLDCHGU-VXGBXAGGSA-N 311.386 -0.446 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)c2c[nH]c(C(N)=O)c2)CCCO1 1202080990 XOHFOWGNIQWSMF-CYBMUJFWSA-N 318.377 -0.042 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@@H](NC(=O)CC(C)(C)O)C12CCC2 1202836119 WVCJLMKNRNRVRH-QWHCGFSZSA-N 321.421 -0.086 30 20 DBED C#CCN[C@H]1C[C@H]2CC[C@H]1N(C(=O)CS(=O)(=O)N(C)C)C2 1204926425 NLLQFJTXTQABOG-FRRDWIJNSA-N 313.423 -0.520 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)Cc1cnn(C)c1 1206489993 DRDIPRJWGYWKAQ-DGCLKSJQSA-N 318.381 -0.961 30 20 DBED COCC#CCNCC1CCN(C(=O)CCn2cnnn2)CC1 1206673121 DMBOPFJKPCIEQN-UHFFFAOYSA-N 320.397 -0.459 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)c2ccn(C)c2)C1 1207796967 YQFIADAMISDTSN-AWEZNQCLSA-N 302.378 -0.031 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)c2ncccn2)C1 1210243312 CXPJITIJZWTESG-LBPRGKRZSA-N 303.366 -0.027 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(Cc2ncnn2C)C[C@H]1OC 1212032221 QACLUHZJJKQNOJ-VXGBXAGGSA-N 309.370 -0.667 30 20 DBED COCc1noc(CN2C[C@@H](NC(=O)[C@H](C)C#N)[C@H](OC)C2)n1 1212039364 KYSMEMBITUUDNX-GMTAPVOTSA-N 323.353 -0.309 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@@H](NCC(=O)NC(C)C)[C@H](C)C1 1214602238 MVNQDKQDDWFWKY-MGPQQGTHSA-N 309.410 -0.014 30 20 DBED C=CCO[C@H](C)C(=O)N1CCO[C@@H]2CN(CC(=O)NC)C[C@@H]21 1219063845 ILSMJIMQYSEUNO-FRRDWIJNSA-N 311.382 -0.765 30 20 DBED N#CCSCC(=O)N[C@@H]1CN(Cc2cnsn2)C[C@@H]1O 1219218455 RXSJIYMWJQHLPW-ZJUUUORDSA-N 313.408 -0.544 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2cnoc2C)C[C@@H]1O 1219605001 GDVOTLFTDWJCHN-YUTCNCBUSA-N 307.350 -0.317 30 20 DBED C=CC(C)(C)CC(=O)N[C@@H]1CN(CCN2CCNC2=O)C[C@@H]1O 1219707031 ZYDGYEBNLAMRBE-OLZOCXBDSA-N 324.425 -0.225 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)CNC(=O)c2ccccc2F)C1 1220971487 KSXYHRZZCVHEJU-OLZOCXBDSA-N 320.324 -0.760 30 20 DBED C=CCNC(=O)CN1CC[C@@H]2CN(C(=O)[C@@H](C)CC(N)=O)[C@@H]2C1 1221731877 ULYBIAIQAHJEMP-YNEHKIRRSA-N 322.409 -0.667 30 20 DBED C=CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3cnn(C)n3)[C@@H]2C1 1221867349 KSEGFZGWDQGIHM-DGCLKSJQSA-N 318.381 -0.736 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCCC[C@H]1NCc1cnon1 1225788617 LCFCYAPSKWHFAW-CHWSQXEVSA-N 319.365 -0.274 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC(NC(=O)c2cnsn2)CC1 1226259079 DWBYANHMGBRAEY-JTQLQIEISA-N 321.406 -0.130 30 20 DBED C#CCN[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)NS(=O)(=O)CC 1226382239 DKKDDLADZYBSNL-YNEHKIRRSA-N 315.439 -0.036 30 20 DBED CN(C[C@@H]1CCN1CC(=O)NCC#N)C(=O)Cn1cccn1 1230762656 PTBWXUGONLGQEV-LBPRGKRZSA-N 304.354 -0.944 30 20 DBED C=CCNC(=O)CN1CC[C@H]1CN(C)C(=O)[C@@H](C)NC(=O)CC 1234490807 SKOPPJMZHFHAPW-OLZOCXBDSA-N 324.425 -0.264 30 20 DBED C=C[C@@H]1CCCCN1C(=O)C(=O)NC[C@H]1CN(C)CCN1C 1258384454 XALHOTABCFZTNG-KGLIPLIRSA-N 308.426 -0.085 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)Nc2cnn(CC(F)F)c2)CCO1 1319349117 URTNPEYHWMANGS-VIFPVBQESA-N 313.264 -0.162 30 20 DBED C#CCN1CCN(C(=O)CN(CC(=O)OC)CC(C)C)CC1 1319592885 DABDWNWFYKMLDB-UHFFFAOYSA-N 309.410 -0.105 30 20 DBED CN(CCn1cccn1)C(=O)C(=O)NC1CCN(CC#N)CC1 1322562277 ILEUBYUKQRHPBY-UHFFFAOYSA-N 318.381 -0.554 30 20 DBED CCC1(O)CCC(NC(=O)C(=O)N2CCO[C@H](C#N)C2)CC1 1323528291 NRJUUVGVYYBZOI-MQYJIDSJSA-N 309.366 -0.063 30 20 DBED C#CCSCCNC(=O)C(=O)N1CCOC[C@H]1C[C@@H](C)O 1325314363 TZTMWJOZXLJSHI-VXGBXAGGSA-N 314.407 -0.533 30 20 DBED Cn1nnc(CNC(=O)C(=O)Nc2ccc(F)cc2C#N)n1 1326671838 KXLPFKCVQLGIFE-UHFFFAOYSA-N 303.257 -0.524 30 20 DBED CCN(CCS(C)(=O)=O)C(=O)C(=O)Nc1cccc(C#N)n1 1328223879 NFFVLMLMOQZFNO-UHFFFAOYSA-N 324.362 -0.215 30 20 DBED C#CCSCC(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)OC 1336730530 FZAFXCIAZNHEAY-SECBINFHSA-N 305.377 -0.849 30 20 DBED C#CCN1CCC[C@@H](NC(=O)C(=O)N=c2nc[nH]n2C(C)C)C1 1337893331 HQJNCRKULAWBBV-GFCCVEGCSA-N 318.381 -0.567 30 20 DBED C=CCn1c(C[C@@H](C)O)nnc1N1CCN(CCOC)C(=O)C1 1338952651 GSASWKHDPKEIDV-GFCCVEGCSA-N 323.397 -0.318 30 20 DBED C=CC[C@@H]1NC(=O)N(CCS(=O)(=O)N2CCOCC2)C1=O 1340012899 VYMYCLRUACWNMF-JTQLQIEISA-N 317.367 -0.855 30 20 DBED C=CCn1c([C@@H](O)COC)nnc1N1CCO[C@@H](COC)C1 1342470839 DMONMWNSIAJDQG-NEPJUHHUSA-N 312.370 -0.005 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCC2(CCNCC2)CC1 1345171602 TYJZYMVCTLONKL-UHFFFAOYSA-N 307.394 -0.255 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCOC3(CCC3)C2)CCO1 1347083743 CIIPYDPRDSXFQO-NWDGAFQWSA-N 307.350 -0.045 30 20 DBED C[C@@H]1OCC[C@@]1(O)CNC(=O)C(=O)Nc1ccc(C#N)cn1 1347667891 IMBYXJDWOGHILI-LKFCYVNXSA-N 304.306 -0.452 30 20 DBED N#C[C@H]1CC[C@@H](NC(=O)C(=O)NCCNC(=O)c2ccco2)C1 1349025343 FHPYICPKOCFGEZ-WDEREUQCSA-N 318.333 -0.066 30 20 DBED C=CCn1c(C(N)=O)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1355920941 FDXFRPYITRJYFQ-GHMZBOCLSA-N 307.354 -0.053 30 20 DBED N#Cc1cn(CCC(=O)NC[C@H]2CCCCO2)c(=O)nc1O 1361700961 HLBYMYLKUXSZTN-LLVKDONJSA-N 306.322 -0.104 30 20 DBED Cc1[nH]c(C#N)cc1C(=O)NCC(=O)NCCN1CCOCC1 1362046323 VVNDYXFWKOKGEF-UHFFFAOYSA-N 319.365 -0.627 30 20 DBED CN(Cc1ncc[nH]1)C(=O)CCn1cc(C#N)c(O)nc1=O 1362248764 PBMGWIRKHYPYOB-UHFFFAOYSA-N 302.294 -0.408 30 20 DBED N#Cc1ccc(C(=O)NC[C@]2(O)CCS(=O)(=O)C2)s1 1362692722 MLQOYHQSLIDFGX-LLVKDONJSA-N 300.361 -0.101 30 20 DBED CC(=O)[C@H]1CCCCN1C(=O)Cn1cc(C#N)c(O)nc1=O 1362871411 VUQWDLGAWDRXOL-LLVKDONJSA-N 304.306 -0.209 30 20 DBED N#CCc1ccccc1S(=O)(=O)NC[C@@H]1CC(C(N)=O)=NO1 1363883695 SMHGZOHRHQFCLI-JTQLQIEISA-N 322.346 -0.339 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N(CC(N)=O)C1CCOCC1 1365456815 WSJORXCASUUFMC-JTQLQIEISA-N 318.399 -0.569 30 20 DBED N#Cc1ccccc1CN1CCN(C(=O)Cn2cnnn2)CC1 1374223897 UHPNXIIHFRRJAU-UHFFFAOYSA-N 311.349 -0.111 30 20 DBED CC(=O)N1CC(C(=O)N2CC[C@@](C)(CNC(=O)[C@@H](C)C#N)C2)C1 1379850473 ZISPFKPOJDWCHG-ZBEGNZNMSA-N 320.393 -0.021 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CCN(C(=O)c2cn(C)c(=O)n2C)C1 1385377816 GXCUACFQWMSKTD-MNOVXSKESA-N 319.365 -0.444 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CCCN(C(=O)CN2CCCC2=O)C1 1385483638 HROAPGIMUIRISA-NEPJUHHUSA-N 306.366 -0.124 30 20 DBED CCS(=O)(=O)CC(=O)N[C@@H]1CCN(C(=O)[C@@H](C)C#N)C1 1385581654 XQZNWCBXFLEXJV-VHSXEESVSA-N 301.368 -0.702 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1cnn2c1CCC2 1389092628 IKTKDWVWNXVRAO-UWVGGRQHSA-N 305.338 -0.804 30 20 DBED CC1CCN(CC(=O)NC[C@H](O)CNC(=O)[C@H](C)C#N)CC1 1392161192 LPLSSDJKMNESNA-OLZOCXBDSA-N 310.398 -0.529 30 20 DBED COCCn1cc(C(=O)N(C)CCNC(=O)[C@H](C)C#N)cn1 1398012759 KFYNDZBLZKHVGL-LLVKDONJSA-N 307.354 -0.123 30 20 DBED CCN(CCNC(=O)[C@@H](C)C#N)[C@@H](C)C(=O)NC(=O)NC1CC1 1399695093 VXAXHRUFKYXWAX-QWRGUYRKSA-N 323.397 -0.039 30 20 DBED C=C(Cl)CNC[C@@H](C)N(C)C(=O)CN1CCNC(=O)C1 1401247174 YRMZZYPYYFRLJD-LLVKDONJSA-N 302.806 -0.393 30 20 DBED COc1nc(C)ccc1C(=O)NC[C@@H](O)CNC(=O)[C@@H](C)C#N 1410118517 CABUNIWYUAXLBP-ONGXEEELSA-N 320.349 -0.235 30 20 DBED N#Cc1cn(CCNC(=O)[C@@H]2C[C@H]3CC(=O)[C@@H]2C3)c(=O)nc1O 1412374212 PBSXUTGWFCMCGE-JMJZKYOTSA-N 316.317 -0.448 30 20 DBED CNC(=O)NC(=O)[C@H](C)N(C)CCCN(C)C(=O)[C@@H](C)C#N 1421836125 CPQNAVHRPUSYFX-QWRGUYRKSA-N 311.386 -0.230 30 20 DBED N#C[C@H]1CN(S(=O)(=O)NCc2nc(C(F)F)no2)CCO1 1424251021 LDWZJHYLDRZSCJ-LURJTMIESA-N 323.281 -0.434 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CN(C)C(=O)CCc1cncn1C 1425853291 LCCLAPJKRKKGIE-WCQYABFASA-N 321.381 -0.552 30 20 DBED Cc1nccc(C(=O)N(C)C[C@H](O)CNC(=O)[C@@H](C)C#N)n1 1428202673 KUGUPVUNNNJHEX-GXSJLCMTSA-N 305.338 -0.506 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCNC(=O)CS(=O)(=O)C(C)(C)C 1431396625 QXFAVRIWUMQPDQ-JTQLQIEISA-N 317.411 -0.066 30 20 DBED Cn1cc(C(=O)NC[C@@H](O)CNC(=O)c2cc(C#N)c[nH]2)cn1 1431485694 BCNNLHJBIRXOFS-LLVKDONJSA-N 316.321 -0.859 30 20 DBED CC(C)S(=O)(=O)CC(=O)NCC1(NC(=O)[C@@H](C)C#N)CC1 1433903591 NKPBBLBVNAYXBT-JTQLQIEISA-N 315.395 -0.266 30 20 DBED CCN(CCC#N)C(=O)CN(C)CCNC(=O)[C@H]1CCCN1C 1442487514 LFSCLBLLGGGWTG-CQSZACIVSA-N 323.441 -0.109 30 20 DBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@H](O)c1cnn(C)c1 1446282692 VWSWIXTVTWMGRU-GFCCVEGCSA-N 317.353 -0.278 30 20 DBED COC[C@@H]1CCCCN1C(=O)Cn1cc(C#N)c(O)nc1=O 1468980914 LJEZIHNYARIVHE-NSHDSACASA-N 306.322 -0.152 30 20 DBED C[C@H](C(=O)NCc1nc([C@H]2CCCO2)n[nH]1)n1cnc(C#N)n1 1469518304 JTKAFIKHMRNTQD-RKDXNWHRSA-N 316.325 -0.003 30 20 DBED C=CCn1c(N2CCN(C)C(=O)[C@@H]2C)nnc1[C@](C)(O)COC 1520484255 QFKBRURSWSREJF-XHDPSFHLSA-N 323.397 -0.015 30 20 DBED N#Cc1ncc(N2CCC3=C(CCC(=O)N3)C2)nc1-c1nn[nH]n1 1581881996 HMAPCWMYVHYZBL-UHFFFAOYSA-N 323.320 -0.097 30 20 DBED C=CCNC(=O)CN1CCC(C)(NC(=O)[C@@H]2C[C@@H]2C(=O)O)CC1 1588839820 WJHCPMYWXOLRQA-NEPJUHHUSA-N 323.393 -0.020 30 20 DBED C#CCOCCC(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)O 1602727994 JITQWCBOAYSOKV-JTQLQIEISA-N 303.336 -0.873 30 20 DBED C[C@@](CO)(NS(=O)(=O)Cc1csc(C#N)c1)C(=O)O 1604199155 UKGQJJQNJUJUCG-JTQLQIEISA-N 304.349 -0.125 30 20 DBED CCCNC(=O)NC(=O)Cn1c(C)nc(-c2nn[nH]n2)c1C#N 1604222068 OQOWLJMFGKKGHY-UHFFFAOYSA-N 317.313 -0.521 30 20 DBED N#Cc1nc(NC(=O)[C@H](O)c2ccccn2)[nH]c1-c1nn[nH]n1 1606354414 GXIGZXVZTNCVKG-SECBINFHSA-N 311.265 -0.471 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@H](NC(=O)Cn2ccnc2)C1 1698549171 FDZVERXANWSTRI-STQMWFEESA-N 303.366 -0.789 30 20 DBED COC[C@H](O)CN[C@]1(CO)CCCN(C(=O)C#CC2CC2)C1 1717252440 FCDLCPWBYXWELH-GDBMZVCRSA-N 310.394 -0.650 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@H](NC(=O)CCCN2CCCC2)C1 1752686788 ANILTGNFUFHVJR-SHTZXODSSA-N 320.437 -0.151 30 20 DBED C#CCN1CC[C@H]2[C@H](CCCN2C(=O)CS(=O)(=O)NC)C1 1752707526 OLCHHFVJMYWZAN-OLZOCXBDSA-N 313.423 -0.518 30 20 DBED C=C(C)CNC[C@H]1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)C1 1752956963 XBQZAQDMVSFTPU-GFCCVEGCSA-N 320.393 -0.288 30 20 DBED C=CCNC(=O)NC(=O)CN(CC)CCNC(=O)C#CC1CC1 1753081673 OFKPYSRVHDTKNT-UHFFFAOYSA-N 320.393 -0.150 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@H](CNC(=O)c2ccon2)C1 1753119263 LSUHOAZDABGHEU-VXGBXAGGSA-N 304.350 -0.136 30 20 DBED C=CCCCN1CCO[C@@H](CNC(=O)C[C@@H]2CC(=O)NC2=O)C1 1753657870 ITNPMJDWEGWEMA-OLZOCXBDSA-N 323.393 -0.178 30 20 DBED CC#CCNC[C@@H](O)CNC(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1 1753911757 AIPCKDRHSPNHNU-CHWSQXEVSA-N 309.410 -0.277 30 20 DBED C#CCNC(=O)CNC[C@H](O)CNC(=O)c1ccoc1C(C)C 1753946820 JXOARAILUCOYMA-LBPRGKRZSA-N 321.377 -0.167 30 20 DBED C#CCNC(=O)CNCC[C@@H](C)NC(=O)c1ncc(OC)cn1 1753980509 JUBOKKNAILYKKW-LLVKDONJSA-N 319.365 -0.667 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)NC[C@H](C)NC(=O)C#CC1CC1 1754267313 FLEXHVKILZIRLW-NWDGAFQWSA-N 320.393 -0.106 30 20 DBED N#CCNC[C@H](NC(=O)c1ccc(-n2cnnn2)cn1)C1CC1 1754446356 GYQDEPRWWJKZDB-ZDUSSCGKSA-N 312.337 -0.321 30 20 DBED C#CCNC(=O)CNC1(CNC(=O)CC[C@H]2CCCN2C)CC1 1754516062 MZODTRNZHCGRPP-CQSZACIVSA-N 320.437 -0.151 30 20 DBED C#CCNC1(CNC(=O)[C@H](OC)[C@H]2CCOC2)CCOCC1 1754738542 BJDCKUOMXKJOKP-UONOGXRCSA-N 310.394 -0.074 30 20 DBED C#CCN[C@]1(CO)CCCN(C(=O)[C@H](NC(N)=O)C(C)(C)C)C1 1755091127 VCKFZPLWKBMKOW-BLLLJJGKSA-N 324.425 -0.354 30 20 DBED COCC#CCN[C@H]1CN(C(=O)CN(C)C(=O)C2CC2)C[C@H]1C 1755120119 AOVYBXHEWLHNPL-HIFRSBDPSA-N 321.421 -0.059 30 20 DBED CNC(=O)CN[C@H](C)[C@@H]1CN(C(=O)CSCC#N)CCO1 1755438349 JEOYTSQIQFIWTD-MNOVXSKESA-N 314.411 -0.805 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H](C)CN(C)C(=O)Cc1ccn(C)n1 1755585857 CVJWDEAGOYKXDI-QWHCGFSZSA-N 319.409 -0.463 30 20 DBED C[C@H](CN(C)C(=O)[C@@H]1CCN(C)[C@@H]1C)NCC(=O)NCC#N 1755587895 MWILHHNHMHZOSU-JHJVBQTASA-N 309.414 -0.597 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C[C@H](O)CN(C)Cc1ncccn1 1755800440 IKLAMAFEMWDSKD-ZIAGYGMSSA-N 320.393 -0.234 30 20 DBED C#CCOCCC(=O)N[C@H](C)C1CN(C(=O)c2nonc2C)C1 1756142268 RRWHQLIWLFSNBW-SNVBAGLBSA-N 320.349 -0.005 30 20 DBED C#CCOCCC(=O)N[C@@H](C)CN(C)C(=O)C1CN(C(C)=O)C1 1756446633 LTIGSAUYNFVKOP-LBPRGKRZSA-N 323.393 -0.532 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H](C)CN(C)C(=O)CCn1cnnn1 1756486651 SGBNZPWTOWNZJB-VXGBXAGGSA-N 322.369 -0.935 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H](CO)NC(=O)/C=C/C1CC1 1756530966 XBYDAKOMCYQZCS-PEGRTIRESA-N 319.405 -0.357 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(CO)on1)CCO2 1783052556 APVRGSPYVOIQKD-OAHLLOKOSA-N 319.317 -0.756 30 20 DBED CC(=O)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC#N 1795420723 XVHMHOINLHLGLG-JJLQDPRZSA-N 322.365 -0.984 30 20 DBED N#Cc1c[nH]c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN)c1 1795525778 GDYCGPLDNKCNKF-GNXNZQSNSA-N 317.349 -0.952 30 20 DBED CC[C@@H](NC)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C#CC(=O)O)C2 1796180592 NPHJJHNXAGMVAX-YVECIDJPSA-N 321.377 -0.289 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncccn1)C2 1800451333 XQMLIYTWASYAIK-PTEHBNRSSA-N 300.318 -0.687 30 20 DBED C=CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCC(=O)N1)C2 1800997866 QOSDVFCCEREYHQ-NWJSVONSSA-N 321.377 -0.569 30 20 DBED C#CCCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN)C2 1801164132 ZDTPFVYSAASMOW-YWVIFJGQSA-N 307.394 -0.272 30 20 DBED COC(=O)C[C@H]1C(=O)NCCN1CC(=O)N[C@@](C)(C#N)C1CC1 22089919 NLRWOHPFKLHWLH-NHYWBVRUSA-N 322.365 -0.842 30 20 DBED COCCN(C)CCCNc1c(C#N)c(=O)n(C)c(=O)n1C 75676855 MLHWLOYQGWDQIV-UHFFFAOYSA-N 309.370 -0.664 30 20 DBED C#CCN1CCN(C(=O)CN2CCNC(=O)[C@H]2CCC)CC1 152510094 FPLRQSJRHHNNHA-CQSZACIVSA-N 306.410 -0.636 30 20 DBED C/N=C(/NCCN1CCC1)N1CCN(c2cnn(C)c2)C(=O)C1 261718843 KNPAWYJVHKYKFC-UHFFFAOYSA-N 319.413 -0.650 30 20 DBED CCn1ncnc1C/N=C(/N)N1CCN(c2ncccn2)CC1 262498160 XHWVKXAVADZFOL-UHFFFAOYSA-N 315.385 -0.275 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H]2CCO[C@H](C)C2)C1=O 271436908 GPMJXBPSQKJYSV-MNOVXSKESA-N 323.349 -0.106 30 20 DBED CN1CC[C@@H]2CCN(c3c(C#N)c(=O)n(C)c(=O)n3C)[C@H]2C1 272257586 ZOJGWMGWSFZFSH-PWSUYJOCSA-N 303.366 -0.514 30 20 DBED CC(C)(C#N)c1ccc(NC(=O)C(=O)N2C[C@@H](O)[C@H](O)C2)cc1 277535043 MUNXDSOWSDJINP-CHWSQXEVSA-N 317.345 -0.010 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCCCOCC)C1=O 283205115 FTTQSFHWQVSQMB-LBPRGKRZSA-N 311.382 -0.226 30 20 DBED C=CCCOCCNC(=O)C(=O)NC[C@@H]1CN(C)CCN1C 286936228 LTDUVJCSWOGGIQ-CYBMUJFWSA-N 312.414 -0.943 30 20 DBED C=C[C@H](CO)NC(=O)C1=NN(c2ccccc2)C(=O)[C@@H](C)N1 292679210 MLBZHKPRGPQMAC-GHMZBOCLSA-N 302.334 -0.012 30 20 DBED C[C@H](CN1CCOCC1)/N=C(/O)N1CCCS(=O)(=O)CC1 329155516 BQJPASOPIIRSLF-GFCCVEGCSA-N 319.427 -0.258 30 20 DBED Cn1nnnc1C/N=C(/O)[C@H]1COCCN1CC(F)(F)F 329402070 YKPOEUHIGCCDLK-SSDOTTSWSA-N 308.264 -0.070 30 20 DBED CCN(C/C(O)=N/[C@H]1CCS(=O)(=O)C1)S(=O)(=O)C1CC1 329597214 CLKBTFIYYSXPBG-VIFPVBQESA-N 324.424 -0.056 30 20 DBED Cn1c(=O)ccn(CC(=O)N(C2CC2)C2(C#N)CCC2)c1=O 330098430 ZARBQNWKCXOOIY-UHFFFAOYSA-N 302.334 -0.016 30 20 DBED CNC(=O)C(C)(C)C/N=C(/O)N1CC(=O)N(CCOC)C1 330391668 IETRHNJBXZZTGS-UHFFFAOYSA-N 300.359 -0.579 30 20 DBED CCN(CCC/N=C(/O)N1CCO[C@H](C#N)C1)S(C)(=O)=O 330668913 ZOBOSZZIFBYIIM-LLVKDONJSA-N 318.399 -0.204 30 20 DBED C[C@H](N[C@H]1CCC[C@@H]1C#N)C(=O)c1c(N)n(C)c(=O)n(C)c1=O 330803418 BBZYIUNGHKHSJY-AEJSXWLSSA-N 319.365 -0.481 30 20 DBED CN(C[C@H](O)C(F)(F)F)/C(O)=N/CC(=O)N1CCOCC1 330855887 PLCPKNUKWIMSQB-QMMMGPOBSA-N 313.276 -0.386 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@@H](C)C(=O)N(C)C 337195522 VXFJHORZQHWDBU-JTQLQIEISA-N 306.388 -0.840 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N=c2cc[nH]cc2C)C1=O 337329856 SZEFJOKOIWPAIT-UHFFFAOYSA-N 302.290 -0.273 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCN[C@@H]2C)CC1 342766468 VENFGHANVBNTNT-ZIAGYGMSSA-N 308.426 -0.179 30 20 DBED CNC(=O)COc1cccc(CC(=O)N2CC(O)(CC#N)C2)c1 356548732 DBEKNPLGLZOYGY-UHFFFAOYSA-N 317.345 -0.159 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCNC[C@H]2C)C1=O 432510314 QAXPUKMMOZYWAX-NXEZZACHSA-N 308.338 -0.923 30 20 DBED C#CCN1CCN(C(=O)CN2CCN(CC)C(=O)[C@@H]2CC)CC1 491043560 CVQGXRUFHPBWOJ-HNNXBMFYSA-N 320.437 -0.294 30 20 DBED N#Cc1nc(=Nc2ccn(CC(=O)N3CCOCC3)n2)cc[nH]1 564585525 LUUBPQYRBPQWEG-UHFFFAOYSA-N 313.321 -0.431 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N[C@H](CO)[C@@H]1CCCOC1 576242251 SOFIYBUXYZNRID-IJLUTSLNSA-N 305.400 -0.158 30 20 DBED COc1cc(C#N)ccc1OCC(=O)NCCc1nc(N)n[nH]1 590551650 QLQPKZZSODWQAE-UHFFFAOYSA-N 316.321 0.005 30 20 DBED CC(C)(CO)CCCNC(=O)C(=O)N1CCN(CCC#N)CC1 602233782 WIRJFBZUESXDFC-UHFFFAOYSA-N 324.425 -0.041 30 20 DBED CC[C@@]1(O)CCCN(C(=O)C(=O)NC2CCN(CC#N)CC2)C1 602246651 ORPZQOTYRFYCLL-MRXNPFEDSA-N 322.409 -0.146 30 20 DBED C=C[C@@H](O)C(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F 614693540 OYSQQFPDYTUBDL-RNFRBKRXSA-N 304.290 -0.528 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H](CO)CC2CC2)C1=O 619045800 HCBSSNNHYKAZPS-LLVKDONJSA-N 323.349 -0.512 30 20 DBED O=C1Cc2cc(S(=O)(=O)NCC#CCO)cc3c2N1CCC3 632516087 QGLQGKRQXLPPMP-UHFFFAOYSA-N 320.370 -0.204 30 20 DBED C=CCn1cc(C(=O)N[C@H](CC)CNS(C)(=O)=O)nn1 648406913 FUNAGMOSMATWJM-SECBINFHSA-N 301.372 -0.478 30 20 DBED C=CCOCCNC(=O)N1CCC(NS(=O)(=O)NC)CC1 667049840 PMIVWBITHZYCEI-UHFFFAOYSA-N 320.415 -0.583 30 20 DBED C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CC[C@@](F)(C#N)C1 682435477 UJJHLSVSNLRURC-XLKFXECMSA-N 323.328 -0.825 30 20 DBED C#CCNC(=O)[C@@H](C)OC(=O)[C@H]1CCCCN1S(C)(=O)=O 744775523 VTPKOJDLODIDHH-GHMZBOCLSA-N 316.379 -0.518 30 20 DBED C#CCN1CCN(C(=O)Cn2cnc3c(c2=O)CCCN3)CC1 749873895 HVSVFSDBVUHICO-UHFFFAOYSA-N 315.377 -0.621 30 20 DBED C#CCOCCNC(=O)N1CCN(CC(=O)NC(C)C)CC1 753384727 ZOEOUOUSQRSFTD-UHFFFAOYSA-N 310.398 -0.512 30 20 DBED Cn1[nH]c(COC(=O)C#Cc2ccc3c(c2)OCO3)nc1=O 765496411 OICADVNBFBUOEO-UHFFFAOYSA-N 301.258 -0.068 30 20 DBED N#C[C@H]1CN(S(=O)(=O)NC[C@@H]2CSCCS2)CCO1 800074243 GUZMQAGCIGLLBC-VHSXEESVSA-N 323.465 -0.106 30 20 DBED C#CC[C@H](CO)NC(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O 816669535 UNGTYPCRMMZKPJ-HSMVNMDESA-N 321.377 -0.013 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@@](C)(C#N)CC(=O)O 819720345 XDTVHHBXVNXGKT-ISVAXAHUSA-N 311.294 -0.066 30 20 DBED C[C@@H]1CN(C(=O)Cn2cnc(-c3nn[nH]n3)c2C#N)C[C@@H](C)O1 824968527 QGBSAXAFRPQZNR-RKDXNWHRSA-N 316.325 -0.429 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)/C=C\SC)CC1 831564538 ASCUYHQMOIHZEK-WMZJFQQLSA-N 303.409 -0.525 30 20 DBED C[C@@H](CCN)NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 834456702 HNNSKUXMNKJSOV-JTQLQIEISA-N 324.406 -0.031 30 20 DBED C#Cc1cccc(CNC(=O)NCCN2CCNC(=O)C2)c1 836657038 UEWWACRPTGHPNU-UHFFFAOYSA-N 300.362 -0.101 30 20 DBED C#CC[C@H](NC(=O)Cn1nc2ccccn2c1=O)C(=O)OC 837935113 XKNMYKTUIGKXMH-JTQLQIEISA-N 302.290 -0.823 30 20 DBED CCOC(=O)CON=C(C(=O)N[C@@H]1CO[C@H](C)C1)c1cc[nH]n1 844099624 OLZZLRDFIMOGLK-ZJUUUORDSA-N 324.337 -0.013 30 20 DBED CS(=O)(=O)N=S1(=O)CCN(CCOCCC#N)CC1 846919210 ZJWYTHNTIACQMK-UHFFFAOYSA-N 309.413 -0.340 30 20 DBED C=CCN(CC=C)C(=O)COC(=O)CN1CC(=O)N(C)C1=O 860305234 ZUFPUVDZXBSKMG-UHFFFAOYSA-N 309.322 -0.376 30 20 DBED C#CCNS(=O)(=O)N1CCN(c2ccc(C#N)c(C)n2)CC1 872634292 ZMJAOVDMWOMSAK-UHFFFAOYSA-N 319.390 -0.149 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N1CC(=O)N(C)C[C@@H]1C 875596394 MASQGPVJGFUPKB-NWDGAFQWSA-N 309.366 -0.780 30 20 DBED CCC1(Cn2cc(C(=O)NCC#CCN(C)C)nn2)COC1 913523442 ZXKOJADDLXXCCR-UHFFFAOYSA-N 305.382 -0.001 30 20 DBED C[C@@H](NS(=O)(=O)CC1(C#N)CC1)[C@H]1CN(C)CCN1C 919992141 YXHVDMYGANERSG-VXGBXAGGSA-N 300.428 -0.156 30 20 DBED CN(C(=O)c1c[nH]c(C#N)c1)[C@H]1CCN(C(=O)c2nc[nH]n2)C1 939082050 QTCVSMUMRYKQGM-NSHDSACASA-N 313.321 -0.009 30 20 DBED O=C(Cn1cnnn1)N[C@H]1CCCCN(C(=O)C#CC2CC2)C1 943075078 MVDRXNPBCHZGBE-ZDUSSCGKSA-N 316.365 -0.416 30 20 DBED COc1c(O)nc(O)nc1C(=O)N[C@@H]1CCN(CC#N)C[C@@H]1C 944136042 QVCRYHFQLJKLHE-DTWKUNHWSA-N 321.337 -0.140 30 20 DBED C#Cc1ccc(C(=O)N2C[C@H]3C[C@H]2[C@H]3NC(=O)c2nc[nH]n2)cn1 947756752 WJPHJBOJCOAKDE-WXHSDQCUSA-N 322.328 -0.176 30 20 DBED CCn1nc(C(=O)NC[C@@H]2CCN2C(=O)[C@H](C)C#N)ccc1=O 951565292 KZFGRASWDMHJQK-MNOVXSKESA-N 317.349 -0.246 30 20 DBED C=CCN1CC[C@@H](N2CCN(C(=O)c3nc[nH]n3)CC2)C1=O 952323191 BUJPRBCBFRVNJR-LLVKDONJSA-N 304.354 -0.651 30 20 DBED C=CCCN1C[C@@H](O)[C@H](CNC(=O)c2cc(C(N)=O)co2)C1 958403430 FHKLSIJAKDDKDJ-VXGBXAGGSA-N 307.350 -0.023 30 20 DBED C#CCCN1C[C@H]2[C@H](NC(=O)c3ccc(S(N)(=O)=O)o3)[C@H]2C1 960774717 LXOAMCKTLCYZCL-IWIIMEHWSA-N 323.374 -0.390 30 20 DBED C=CCN1C[C@H]2[C@H](NC(=O)c3ccc(-n4cnnn4)cn3)[C@H]2C1 961357050 KAQWMYPSOOTIJM-IMRBUKKESA-N 311.349 -0.097 30 20 DBED C=C(C)CN1C[C@@H]2C(NC(=O)CN3C(=O)CN(C)C3=O)[C@H]2C1 962483608 MUINUYDEDJBGHE-QWRGUYRKSA-N 306.366 -0.497 30 20 DBED O=C(NC[C@@H]1COCCN1C(=O)C#CC1CC1)c1cnns1 964114633 UZWQPDPTPNIIAK-LLVKDONJSA-N 320.374 -0.091 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)c1n[nH]cc1F 964355393 VISVBTVFLASPDT-BDAKNGLRSA-N 309.301 -0.334 30 20 DBED C#CCCN1C[C@H]2CC[C@H]1CN2C(=O)[C@H]1COCCN1C(C)=O 972130832 GTWMWQYITFSTDP-ARFHVFGLSA-N 319.405 -0.068 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 973531903 RTLZESNOKAWDQJ-OOCWMUITSA-N 322.365 -0.978 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 974411257 CWTZOAYGVQWSJV-ISFYIQIJSA-N 321.377 -0.538 30 20 DBED C#Cc1ccc(C(=O)N2C[C@H]3[C@H](NC(=O)c4cnn[nH]4)[C@H]3C2)cn1 976811267 MVYIJYDICSWCFC-IMRBUKKESA-N 322.328 -0.319 30 20 DBED C=CCN[C@@H]1CCC[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 981361036 YAVGEIXVLWBSNJ-VXGBXAGGSA-N 320.393 -0.099 30 20 DBED C#CCCN1CCCN(C(=O)CN2CCN(C)C(=O)C2)CC1 981494154 FEWQQGLKBQXUHK-UHFFFAOYSA-N 306.410 -0.682 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2C[C@H](CN[C@H]3CCNC3=O)C2)[nH]1 983494783 BFDBECHQTQIWFA-DLOVCJGASA-N 301.350 -0.127 30 20 DBED CN(C[C@@H]1CCN(C(=O)C#CC2CC2)C1)C(=O)[C@@H]1CNC(=O)N1 987990074 DVYXWCCXWLPKTH-STQMWFEESA-N 318.377 -0.612 30 20 DBED C#CCN[C@@H]1C[C@H](C)N(C(=O)CN2C(=O)NC(C)(C)C2=O)C1 989751277 DGXAMBYLKOUAGV-WDEREUQCSA-N 306.366 -0.471 30 20 DBED C=CCn1cc(C(=O)N2CC(NC(=O)[C@@H]3CCCCO3)C2)nn1 990861743 RNRCCGGBABCIHG-ZDUSSCGKSA-N 319.365 -0.026 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)Cn2nccn2)C1 991949486 PSFDXROTYKMRPR-NEPJUHHUSA-N 305.338 -0.804 30 20 DBED CC#CCN1CCC[C@@H](NC(=O)CN2CCC(=O)NC2=O)[C@H]1C 994169997 UKBSXQPNMXLDFU-CHWSQXEVSA-N 320.393 -0.079 30 20 DBED C=CC(C)(C)C(=O)N1CC(NC(=O)c2cn(C)c(=O)cn2)C1 997529827 LSDVCECKQMYVGT-UHFFFAOYSA-N 304.350 -0.067 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2COCCO2)C1 999989051 WWGSVOLQIQQGLL-FRRDWIJNSA-N 310.350 -0.680 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC(CNC(=O)[C@@H]3CCNC3=O)C2)c1 1003552887 FGTITLSMJHCTRO-LLVKDONJSA-N 315.333 -0.789 30 20 DBED C#Cc1ccc(C(=O)N2C[C@@H](NC(=O)C(N)=O)C[C@@H]2C)nc1 1013468243 HPSYJQHFDWGDPG-ONGXEEELSA-N 300.318 -0.733 30 20 DBED C[C@@H]1[C@H](NC(=O)c2ccc(C#N)[nH]2)CCCN1C(=O)CC(N)=O 1014878959 QGQOROZGFCZIDS-MWLCHTKSSA-N 317.349 -0.129 30 20 DBED CC#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cnc(C(N)=O)n1 1017568521 AUUUNTOQHPUJDI-TXEJJXNPSA-N 316.365 -0.925 30 20 DBED Cn1nnc(CN[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)n1 1018682722 RRGXBEYVWZVQID-JTQLQIEISA-N 300.326 -0.586 30 20 DBED C[C@@H](C#N)C(=O)N1CCCO[C@H](CNC(=O)c2cn(C)cn2)C1 1019566440 CZEHLVHKVFFIRG-NWDGAFQWSA-N 319.365 -0.073 30 20 DBED C=CCN1CC[C@H](N[C@H]2C[C@@H](NC(=O)Cn3cncn3)C2)C1=O 1023061673 QUPSIXQINFOUJH-XQQFMLRXSA-N 318.381 -0.698 30 20 DBED N#Cc1cc(C(=O)NC[C@H]2CCCN2[C@@H]2CCNC2=O)c[nH]1 1027833248 OVCIPSBPSMYSQL-CHWSQXEVSA-N 301.350 -0.031 30 20 DBED Cn1nnc(C(=O)NC2CN(CC#Cc3ccc(F)cc3)C2)n1 1030804246 RGTNEQXRFWHDTC-UHFFFAOYSA-N 314.324 -0.185 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)[C@@H]3CCC(=O)N3C)C2)C1=O 1030804939 IMKBULBHDIADPO-QWHCGFSZSA-N 320.393 -0.806 30 20 DBED C#Cc1ccc(C(=O)NC2CN([C@@H](C)c3nnnn3C)C2)cn1 1031278052 AWNYGJSWQMZCLG-JTQLQIEISA-N 311.349 -0.238 30 20 DBED CN1CC[C@H](N2CC(CNC(=O)c3ccc(C#N)[nH]3)C2)C1=O 1031619298 RMZFNOZUHWIZFM-ZDUSSCGKSA-N 301.350 -0.221 30 20 DBED C#CCN1CC[C@H](N(C)C(=O)CN2C(=O)CC(C)(C)C2=O)C1 1033078116 JLRPEZPGCNRLIQ-LBPRGKRZSA-N 305.378 -0.063 30 20 DBED N#Cc1cc(C(=O)NC[C@@H]2CN([C@H]3CCNC3=O)CCO2)c[nH]1 1035337437 VLILNUVBFSZWKX-OLZOCXBDSA-N 317.349 -0.795 30 20 DBED CC#CCN1CCO[C@@H](CNC(=O)c2ccnc3[nH]nnc23)C1 1035441328 YBUJODLBHYFCJV-NSHDSACASA-N 314.349 -0.193 30 20 DBED C#CCN1CCO[C@H](CNC(=O)[C@H]2CN(C(C)C)CCO2)C1 1035482845 KBPCXSCODNKPHY-HUUCEWRRSA-N 309.410 -0.454 30 20 DBED CCn1nc(C(=O)NC[C@H]2CN(CC#N)CCO2)ccc1=O 1035552708 ZFWWQHVDYCFLDZ-NSHDSACASA-N 305.338 -0.783 30 20 DBED Cn1nnc(CN2CC[C@@H]2CNC(=O)c2c[nH]c(C#N)c2)n1 1038174519 HQDFKBCSCQNSGF-LLVKDONJSA-N 300.326 -0.586 30 20 DBED CN1CC(=O)N(CC(=O)N2[C@H]3CC[C@H]2CN(CC#N)CC3)C1=O 1039467389 HRDUULXBCWQXKY-RYUDHWBXSA-N 319.365 -0.531 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@]1(O)CCN(C(=O)C(C)(F)F)C1 1039722807 YZPOLPBLIRFYJP-QMTHXVAHSA-N 318.320 -0.241 30 20 DBED CC(C)C#CC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1040616095 QAJAMGMZTCLPKM-SHFYGJNESA-N 320.389 -0.382 30 20 DBED C[C@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)CCCCC(N)=O)C1 1040760941 QSHQQYDLYIIGKY-ABAIWWIYSA-N 324.381 -0.729 30 20 DBED CCn1nccc1C(=O)N1CC[C@](O)(CNC(=O)[C@H](C)C#N)C1 1040764761 YSZJONLLVYIAPK-ABAIWWIYSA-N 319.365 -0.244 30 20 DBED Cc1nccc(C(=O)N2CC[C@](O)(CNC(=O)[C@@H](C)C#N)C2)n1 1040766687 RUFIHIQPIRZVOA-BONVTDFDSA-N 317.349 -0.362 30 20 DBED CO[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1NC(=O)c1cc[nH]n1 1042764591 TXXSGFBUYJPIBL-VXGBXAGGSA-N 313.321 -0.295 30 20 DBED C=C[C@@H](C)[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2cn(C)nn2)C1 1042885806 SOPOSRUHJDTDSA-GHMZBOCLSA-N 321.381 -0.424 30 20 DBED Cc1cnccc1CC(=O)NCC1(O)CN(C(=O)[C@H](C)C#N)C1 1043170531 GQAUROHZQMRDIV-LLVKDONJSA-N 316.361 -0.218 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)C2(N(C)C)CCC2)C1 1043451165 YUHFTFVRJVJLGA-LLVKDONJSA-N 308.382 -0.680 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)c2cnnc(O)c2)C1 1043486065 OAKJATAQUANULG-UHFFFAOYSA-N 306.322 -0.549 30 20 DBED COc1nc(C(=O)NCC2(O)CN(C(=O)[C@H](C)C#N)C2)co1 1044077005 TWXZWFDNEPWPAL-MRVPVSSYSA-N 308.294 -0.854 30 20 DBED C#CCCN1CC[C@@H](N2CCN(C(=O)c3cnon3)CC2)C1 1046072527 HPESPWCIEJUELX-CYBMUJFWSA-N 303.366 -0.075 30 20 DBED Cn1nnc(CN2CC[C@@](C)(NC(=O)c3cc(C#N)c[nH]3)C2)n1 1046223752 NJBCTTUWJZMSFU-CQSZACIVSA-N 314.353 -0.196 30 20 DBED CCn1nc(C)cc1C(=O)NCC1(O)CN(C(=O)[C@H](C)C#N)C1 1047114866 OEIDTWPTPBHEJF-SNVBAGLBSA-N 319.365 -0.326 30 20 DBED C=C(C)CCN1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CCNC2=O)C1 1047406661 KXWWFYYWQUISJM-IHRRRGAJSA-N 309.410 -0.018 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(C(=O)NC)n2)C1 1047614172 CNMXXZXKRYTWMO-KBPBESRZSA-N 318.377 -0.256 30 20 DBED CCn1cnc(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)C#N)C2)c1 1049393770 DXPNHQFIZQGLKC-DRZSPHRISA-N 319.365 -0.294 30 20 DBED CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H]1NC(=O)NC1=O 1049527456 QIXCVMCKBCLKQB-RWMBFGLXSA-N 318.377 -0.327 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)[C@@H]1CCn2ccnc2C1 1050989492 QMLPWMMWFCCRSP-KGLIPLIRSA-N 302.378 -0.104 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)c1cnc2c(c1)nnn2C 1051024638 DNHTYNLCFSHKHL-LBPRGKRZSA-N 314.349 -0.573 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)[C@@H]1CC(=O)N(C)C1)CCO2 1053280897 KRLPBVVGSZRKRH-CYBMUJFWSA-N 305.378 -0.599 30 20 DBED C[C@@H]1CN(C(=O)Cn2cncn2)C[C@@H]1CNC(=O)C#CC1CC1 1053479969 SWNLSVHIGZJWBM-OCCSQVGLSA-N 315.377 -0.098 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2COC3(C2)CN(CCCO)C3)[nH]1 1053773013 BQBQGSRUDGORGO-LBPRGKRZSA-N 304.350 -0.158 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)c3cnnc(O)c3)CO2)C1 1053841779 QYPWZOHCXSKSIM-LBPRGKRZSA-N 302.334 -0.221 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)C[C@H]3CCC(=O)N3)CO2)C1 1053954157 JTBWEMRUEXMLBA-CHWSQXEVSA-N 305.378 -0.362 30 20 DBED CCn1nncc1C(=O)N1CCN(c2ccc(C#N)nn2)CC1 1055799277 ZNJYKAFMWHCVFO-UHFFFAOYSA-N 312.337 -0.078 30 20 DBED C[C@H](C#N)C(=O)N[C@@]1(CO)CCCN(C(=O)Cc2ccon2)C1 1056093551 KTVPFWWSUPRQPI-ABAIWWIYSA-N 320.349 -0.154 30 20 DBED N#Cc1nccnc1N1C[C@H]2C(NC(=O)[C@@H]3COCCO3)[C@@H]2C1 1056134729 KMDJZQGZGYHIMD-FOGDFJRCSA-N 315.333 -0.686 30 20 DBED N#Cc1cncc(N2C[C@H]3[C@H](NC(=O)Cn4cncn4)[C@H]3C2)n1 1056218560 WGJHILIZTTVFFB-YABSGUDNSA-N 310.321 -0.809 30 20 DBED Cn1ncc(C(=O)NC2[C@H]3CN(c4cncc(C#N)n4)C[C@H]23)n1 1056256698 MOFHULGECVELQG-UWVGGRQHSA-N 310.321 -0.659 30 20 DBED O=C(C#CC1CC1)NCCN(CCO)C(=O)c1cc[n+]([O-])cc1 1056880802 UTELFRHIBMNWHG-UHFFFAOYSA-N 317.345 -0.716 30 20 DBED CN(c1cncc(C#N)n1)[C@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 1056910520 WROPZKCQDYYVEP-QWRGUYRKSA-N 316.321 -0.506 30 20 DBED CN(c1nccnc1C#N)[C@@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 1056997984 MPZZYSVRTRAYPQ-MNOVXSKESA-N 314.349 -0.479 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)[C@@H]1CCN(C)C1 1057197858 DHUJINXVKYJLMD-CYBMUJFWSA-N 313.398 -0.922 30 20 DBED C=C[C@](C)(O)CC(=O)N(CCO)CCNC(=O)c1ccn(C)c1 1057450723 XLFWMOYMXOGIHZ-INIZCTEOSA-N 323.393 -0.097 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)CCN1CCCC1=O 1057656494 YYQACNVCZILBHB-GFCCVEGCSA-N 324.381 -0.904 30 20 DBED C=C1CC(C)(C(=O)NCCN(CCO)C(=O)c2cnn[nH]2)C1 1058056913 OCMAWCIITMQTSE-UHFFFAOYSA-N 307.354 -0.288 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)[C@@H]1CCN(C)C1=O 1058451457 UQOSDPFRNMYOIM-CYBMUJFWSA-N 323.393 -0.939 30 20 DBED N#Cc1ccc(N[C@H]2C[C@H](NC(=O)C[C@@H]3CCNC3=O)C2)nn1 1059324342 LMYVCUSSWVRCHL-DLOVCJGASA-N 314.349 -0.066 30 20 DBED C[C@H](C#N)C(=O)NCC[C@H]1CCN(C(=O)Cn2nccn2)C1 1059710840 WTHLSYKFTSJQCB-NEPJUHHUSA-N 304.354 -0.207 30 20 DBED Cc1c(C(=O)N2CCOC[C@@H]2CNC(=O)[C@H](C)C#N)cnn1C 1061845247 FXVYPWAAXSIOMR-PWSUYJOCSA-N 319.365 -0.155 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)C2(NC(N)=O)CC2)CCC1 1062823569 QUHQGTQUZOMMAZ-VIFPVBQESA-N 307.354 -0.498 30 20 DBED C#CCOCCC(=O)NCC1(NC(=O)[C@H]2C[C@H]2C(N)=O)CCC1 1063040485 UIQPHLGCTXJZEZ-NEPJUHHUSA-N 321.377 -0.697 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NCC1(NC(=O)CC(N)=O)CCC1 1063214818 SJOWCTPUWLGWAO-NEPJUHHUSA-N 323.393 -0.002 30 20 DBED N#Cc1nc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)C(N)=O)sc1Cl 1064336535 IUYYGGHGKBZEMG-PIYBLCFFSA-N 311.754 -0.153 30 20 DBED C=CCCC(=O)N1CCO[C@@H](CNC(=O)CNC(=O)C2CC2)C1 1064955912 NNLLYNRVVDEIOY-ZDUSSCGKSA-N 323.393 -0.178 30 20 DBED Cc1nc[nH]c1CC(=O)NC[C@@H]1CN(C(=O)[C@H](C)C#N)CCO1 1065556396 HEUGJMXZZYOZMB-ZYHUDNBSSA-N 319.365 -0.236 30 20 DBED C[C@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1Nc1cnc(C#N)cn1 1067177321 ZIKGXQONYXZQCZ-WCBMZHEXSA-N 313.325 -0.556 30 20 DBED N#Cc1nc(=NCC2CC(NC(=O)[C@H]3C[C@H]3C(N)=O)C2)cc[nH]1 1067886480 MOPQXNUZKGKXCD-LXKPXOPUSA-N 314.349 -0.802 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H]1C[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 1068588993 PRFCYQSYOJUJQK-JHEVNIALSA-N 313.361 -0.197 30 20 DBED C[C@@H]1[C@@H](N=c2cc[nH]cc2C#N)CCN1C(=O)Cn1cnnn1 1068776244 DDNWZFYXRMDZTI-PWSUYJOCSA-N 312.337 -0.537 30 20 DBED C#CCOCCC(=O)N[C@@H]1COC2(C1)CN(C(=O)CCOC)C2 1068868429 OCSXPZVPZOCMJR-ZDUSSCGKSA-N 324.377 -0.451 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1COC2(C1)CN(C(=O)c1ccncn1)C2 1069002394 FILIUQXDFQPCOS-WDEREUQCSA-N 315.333 -0.264 30 20 DBED CCN(C)CCC(=O)N1CC2(C[C@@H](NC(=O)[C@H](C)C#N)CO2)C1 1069007766 KJYQWGNELMSORZ-CHWSQXEVSA-N 322.409 -0.026 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)CN2CCC[C@H]2C)C1 1070026795 HHCIGZMGPQBZSI-KFWWJZLASA-N 316.409 -0.263 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)c2ccnn2C)CCOCC1 1070231254 QRVLWGICDBSPST-LLVKDONJSA-N 319.365 -0.025 30 20 DBED Cn1cncc1[C@@H]1CN(C(=O)[C@H]2CCOC2)C[C@H]1NCC#N 1070626133 PKPVEMDPLZABSD-YNEHKIRRSA-N 303.366 -0.136 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@@H](NC(=O)[C@H](C)OCC)C1 1070636405 WEHBJGXNVNAPBF-QWHCGFSZSA-N 323.393 -0.342 30 20 DBED C=CCN[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1c1cncn1C 1070647985 NEBZSPOCZJJEEV-VXGBXAGGSA-N 316.369 -0.823 30 20 DBED C[C@@H]1CN(C(=O)c2cnn(C)c2N)C[C@@H]1NC(=O)C#CC1CC1 1071948677 KOPGRAFMWUAILQ-MFKMUULPSA-N 315.377 -0.008 30 20 DBED C#CCOCCC(=O)N[C@H]1CN(C(=O)c2cnon2)C[C@@H]1C 1072584267 GELSCRXPWOODSG-JQWIXIFHSA-N 306.322 -0.314 30 20 DBED CC1(NC(=O)C#CC2CC2)CCN(C(=O)[C@H]2CNC(=O)N2)CC1 1073225084 WLMKVWUOYHHUPF-GFCCVEGCSA-N 318.377 -0.422 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CCN(C(=O)COC)C[C@@H]1C 1073888788 ZGKCZZXOKXXMBK-RYUDHWBXSA-N 309.366 -0.875 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)c3cn(C)nc3OC)C[C@H]21 1074315183 RRQMQTNNVIRCLC-ZIAGYGMSSA-N 318.377 -0.023 30 20 DBED C[C@@H](CCNC(=O)CNC(=O)C1CC1)NC(=O)C#CC1CC1 1075741713 OXFCQDKMAHWYEJ-NSHDSACASA-N 305.378 -0.063 30 20 DBED C=CCOCC(=O)NCC[C@H](C)NC(=O)[C@H](C)S(C)(=O)=O 1075922548 XLZNPYGNKOEVLH-QWRGUYRKSA-N 320.411 -0.367 30 20 DBED C=CCn1cc(C(=O)NCC[C@H](C)NC(=O)c2nc[nH]n2)nn1 1076575713 FQBSIRGRVNSRMZ-VIFPVBQESA-N 318.341 -0.479 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)Cn2cccc(C)c2=O)C1 1076989681 JXZUPVGLVOGXHV-ZIAGYGMSSA-N 303.362 -0.659 30 20 DBED CCN(C(=O)[C@H]1CNC(=O)N1)C1CN(C(=O)C#CC(C)(C)C)C1 1080384930 BZGCRKDVMIQESN-GFCCVEGCSA-N 320.393 -0.223 30 20 DBED CCN(C(=O)C(N)=O)C1CN(C(=O)CC#Cc2ccccc2)C1 1080406994 JVZCHCBPNCOMMJ-UHFFFAOYSA-N 313.357 -0.027 30 20 DBED C#CCOCCC(=O)N1C[C@H](O)[C@H](CNC(=O)C2CCC2)C1 1081133022 HPEURWCHQUOCRA-KGLIPLIRSA-N 308.378 -0.238 30 20 DBED COCCCC(=O)N1C[C@H](CNC(=O)C#CC2CC2)[C@@H](O)C1 1081468085 FNDSJMNKEBMEBN-KBPBESRZSA-N 308.378 -0.238 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@H]1CCc2nccn2C1 1081867583 ZRSRQCFVRQCZEA-YNEHKIRRSA-N 303.366 -0.216 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](NCc2nnc3n2CCOC3)[C@H](C)C1 1082451104 POMPFBSKMJHUOH-IJLUTSLNSA-N 318.381 -0.096 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@H]2CCc3nnnn3CC2)C[C@H]1C 1082754343 WLITWDAINUVOHP-FRRDWIJNSA-N 302.382 -0.305 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)C[C@@H]1COC(=O)C1 1083050860 FPLMRJGOKVAIHE-MELADBBJSA-N 306.362 -0.126 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CCc2nn[nH]c2C1 1083247452 QUUKPGBJZGBHEV-DDTOSNHZSA-N 316.365 -0.655 30 20 DBED C=CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CCC(=O)N(C)C1 1083285573 WDUOUMXLDBJKKV-HZSPNIEDSA-N 307.394 -0.048 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](NC(=O)c2cc(C(N)=O)cn2C)C1 1083607553 DUXWJVBHUNTOPI-OCCSQVGLSA-N 320.393 -0.135 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCCc3nn[nH]c32)C1 1083734834 YAIQRQVTQKNKRW-RTXFEEFZSA-N 305.382 -0.038 30 20 DBED C[C@H]1CC[C@@H](NC(=O)CNC(N)=O)CN1c1cnc(C#N)cn1 1089108930 CXOYHLDPAOLWAV-VHSXEESVSA-N 317.353 -0.510 30 20 DBED N#CCN1CC[C@H](NC(=O)Cn2cc(C3CC3)cn2)[C@H](O)C1 1090373515 IPSQIRYYVMBIMO-UONOGXRCSA-N 303.366 -0.165 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CN(c2cc(Cl)c(O)nn2)C[C@H]1O 1090404622 QYVCTRRMGDKHTP-NBEYISGCSA-N 311.729 -0.339 30 20 DBED Cc1nc2ccnn2cc1C(=O)N[C@H]1CCN(CC#N)C[C@@H]1O 1090690892 VJJLZXYZEBOMQL-STQMWFEESA-N 314.349 -0.274 30 20 DBED C#CCCN1CC[C@H](NC(=O)C2CCN(C(N)=O)CC2)[C@@H](O)C1 1090795896 LYQUTBGIMMTIAY-KBPBESRZSA-N 322.409 -0.648 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CCCC[C@H]1N=c1cc[nH]c(C#N)n1 1091251791 BZDABDSLQFAUDJ-GHMZBOCLSA-N 316.365 -0.254 30 20 DBED CN(C)CCC(=O)N[C@@H]1CCN(c2ccc(C#N)cn2)C[C@H]1O 1092175271 ZMHRBPNBQLZXAY-ZIAGYGMSSA-N 317.393 -0.039 30 20 DBED C#CCN1C[C@@H]2CN(C(=O)c3cn(C)c(=O)nc3O)C[C@]2(C)C1 1092270635 MNXZNVDNXIPFPS-BZNIZROVSA-N 316.361 -0.487 30 20 DBED CC#CCN1CC(N2C[C@H](NC(=O)C3=CCOCC3)CC2=O)C1 1094730394 AEOUBZBDVINURU-CQSZACIVSA-N 317.389 -0.242 30 20 DBED Cc1ncc(CC(=O)N[C@H]2CC(=O)N(C3CN(CC#N)C3)C2)o1 1094745722 KOJYDGWDQSRWIR-NSHDSACASA-N 317.349 -0.550 30 20 DBED C#CCN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cn(C)c(=O)nc1O)C2 1095054414 KMOSIYBMOCUQOP-TUAOUCFPSA-N 316.361 -0.298 30 20 DBED CCNC(=O)CC(=O)N1CC[C@H](N(C)c2ccc(C#N)nn2)C1 1095108105 ALZSSYYGROHYNH-LBPRGKRZSA-N 316.365 -0.088 30 20 DBED CN(CCCNC(=O)CCCC(N)=O)c1nccnc1C#N 1095580830 UBMXMGSOPAIISK-UHFFFAOYSA-N 304.354 -0.054 30 20 DBED COC(=O)NCC(=O)N[C@@H]1CCN(c2cnc(C#N)cn2)C1 1096324030 DXOZTYJJVXEUOV-SECBINFHSA-N 304.310 -0.601 30 20 DBED N#Cc1ccc(N[C@H]2C[C@@H](NC(=O)CCn3cnnn3)C2)nn1 1097208623 VQIANCSYZOPGTN-PHIMTYICSA-N 313.325 -0.516 30 20 DBED N#Cc1nc(=NC[C@H]2CCCCN2C(=O)CNC(N)=O)cc[nH]1 1097473963 ZCFCCLIXRFRODT-SNVBAGLBSA-N 317.353 -0.769 30 20 DBED N#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C1CC2(C1)NC(=O)NC2=O 1098021424 MJXNNVKCABJPQY-WBYXNYCFSA-N 317.349 -0.780 30 20 DBED COCC#CCN1CC[C@H](NC(=O)CCCC(C)=O)[C@@H](O)C1 1099673652 ZIJLEKORXWABQW-GJZGRUSLSA-N 310.394 -0.053 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CCN(Cc2ncccn2)C[C@H]1O 1099823771 JYBSWBSVODSVCG-ZIAGYGMSSA-N 300.362 -0.059 30 20 DBED CN1CCO[C@H](C(=O)NCCN(C)c2nccnc2C#N)C1 1099996469 IWPJBHUCPKAPGL-LBPRGKRZSA-N 304.354 -0.769 30 20 DBED CN(CCNC(=O)c1cnc2[nH]nnc2c1)c1ccnc(C#N)n1 1100382561 HTWYYBCOZGBWAX-UHFFFAOYSA-N 323.320 -0.119 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CC(CNC(=O)c2cnn[nH]2)C1 1100475304 MOMPPMOZHVGYTG-KPPDAEKUSA-N 304.354 -0.959 30 20 DBED COC(=O)NCC(=O)NC[C@@H]1CCN(c2cnc(C#N)cn2)C1 1100948802 YGWDPYWKUUWLKW-JTQLQIEISA-N 318.337 -0.353 30 20 DBED C#CCOCCC(=O)N1C[C@H]2CN(CC(=O)NCC)C[C@@]2(C)C1 1101237125 CQVRIAHOFFODEV-PBHICJAKSA-N 321.421 -0.057 30 20 DBED C[C@@H](CNC(=O)CN1CCOCC1)CNc1cncc(C#N)n1 1103915465 SJOLCYQBAFRGAI-GFCCVEGCSA-N 318.381 -0.155 30 20 DBED C[C@@H](CNC(=O)Cn1ncnn1)CNc1cnc(C#N)cn1 1104095334 RMGSQRVOAYOJPA-SECBINFHSA-N 301.314 -0.801 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CCC[C@H]1CN=c1cc[nH]c(C#N)n1 1105662381 HDROVHPQBOQVKD-WDEREUQCSA-N 316.365 -0.397 30 20 DBED COC[C@H](C)C(=O)NC[C@@H](O)CN=c1cc(C)[nH]cc1C#N 1105746094 CHJYWXJRLQPQSP-GWCFXTLKSA-N 306.366 -0.145 30 20 DBED Cc1nc[nH]c1CC(=O)NC[C@@H](O)CNc1cnc(C#N)cn1 1105921164 YPEXCESVMFBTGF-NSHDSACASA-N 315.337 -0.489 30 20 DBED C=CCOCC(=O)N1C[C@@H](C)[C@H](CNCCOCCO)C1 1105941711 ISXWLVYKWCEVDE-ZIAGYGMSSA-N 300.399 -0.118 30 20 DBED COCCC[C@@H](C)C(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1 1105965835 HOLICTDDORWAOF-VXGBXAGGSA-N 321.381 -0.278 30 20 DBED N#Cc1cnc(NC[C@@H](O)CNC(=O)CO[C@H]2CCOC2)cn1 1105972120 CYEKPIGUALJSSG-NEPJUHHUSA-N 321.337 -0.957 30 20 DBED CC[C@@H](NC(C)=O)C(=O)NC[C@H](O)CNc1ccc(C#N)cn1 1106123227 KMQSPOZZSWCIPD-CHWSQXEVSA-N 319.365 -0.243 30 20 DBED CCN(CCNc1nccnc1C#N)C(=O)[C@H]1COCCN1C 1106731983 PQAJHLNJUIVHME-CYBMUJFWSA-N 318.381 -0.061 30 20 DBED COCC[C@@H](C)C(=O)N1C[C@@H](C)[C@H](CNCC(=O)NCC#N)C1 1107005469 ZQOOSKWMUAXROA-MGPQQGTHSA-N 324.425 -0.017 30 20 DBED C#CCCCCC(=O)NCc1cn(C2CN(CC(N)=O)C2)nn1 1107162759 RMUIKBHUJCKWGT-UHFFFAOYSA-N 318.381 -0.570 30 20 DBED CNC(=O)CCCC(=O)NCc1cn(C2CN(CC#N)C2)nn1 1107162781 SXAWEZRIUDTXMX-UHFFFAOYSA-N 319.369 -0.809 30 20 DBED C=CC(C)(C)CC(=O)NCc1cn(C2CN(CC(N)=O)C2)nn1 1107175258 FVJXERCEVMOMGK-UHFFFAOYSA-N 320.397 -0.161 30 20 DBED C#CCN1CC(n2cc(CNC(=O)Cn3ccnc3C)nn2)C1 1107235416 GDSXQJMCQZRHGU-UHFFFAOYSA-N 313.365 -0.411 30 20 DBED C=CCN1CCO[C@](C)(CNC(=O)C(=O)NCC(F)F)C1 1108039838 GTVVVOBEVSWZKB-CYBMUJFWSA-N 305.325 -0.239 30 20 DBED C[C@H](CNc1ccc(C#N)cn1)NC(=O)CN1CCNC(=O)C1 1108062360 XYHOFZAGUGPAMQ-LLVKDONJSA-N 316.365 -0.698 30 20 DBED CC#CCN1CCO[C@](C)(CNC(=O)C[C@@H]2CC(=O)NC2=O)C1 1108446875 MGQDJAOUKFBVLS-MLGOLLRUSA-N 321.377 -0.730 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)CC[C@@H]3CCCO3)CC2=O)C1 1108506684 XKWMRDCSDHANQX-HIFRSBDPSA-N 319.405 -0.020 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)C[C@H](C)NC(N)=O)CC2=O)C1 1108544804 KGWXTEGUPIBOIV-WDEREUQCSA-N 323.397 -0.979 30 20 DBED C[C@H](CN(C)c1ccnc(C#N)n1)NC(=O)[C@]1(C)CCNC1=O 1109239902 HCGWFLNNOZADAS-MEBBXXQBSA-N 316.365 -0.185 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CNC(=O)C1CCOCC1 1109859940 BIYODPCEZUDJRX-ILXRZTDVSA-N 319.405 -0.116 30 20 DBED N#Cc1nccc(N2CC[C@@](O)(CNC(=O)c3cnon3)C2)n1 1111091696 WJHXUHHNGHUZFI-CYBMUJFWSA-N 315.293 -0.898 30 20 DBED C=CCCC(=O)NC[C@@H]1COCCN1c1nccn2nnnc12 1111673342 FEYRIFGPNBLXLZ-LLVKDONJSA-N 317.353 -0.193 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)CC[C@H]2CCCN2C)CC1 1112979746 DNLWOSQJPVFIAV-OAHLLOKOSA-N 320.437 -0.246 30 20 DBED COCC#CCN1CCN(C(=O)c2cc(C(N)=O)c[nH]2)CC1 1113457899 IUBJNGBOCMTZFW-UHFFFAOYSA-N 304.350 -0.479 30 20 DBED C=CCOCC(=O)N[C@H]1[C@@H]2CN(Cc3nnnn3C3CC3)C[C@@H]21 1114054309 NAEHAJUYSDNMQA-JYAVWHMHSA-N 318.381 -0.243 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)c3cn(C)cn3)[C@@H]2C1 1114139968 XMYUIQHSQGJRQB-GHMZBOCLSA-N 303.366 -0.618 30 20 DBED O=C(C#CC1CC1)N[C@H]1[C@@H]2CN([C@@H]3CCC(=O)NC3=O)C[C@@H]21 1114252775 CBDFEHQUIKVUFL-ZAZJYDDPSA-N 301.346 -0.749 30 20 DBED C=C(C)CN1C[C@H]2C(NC(=O)[C@@H](C)NS(=O)(=O)CC)[C@@H]2C1 1114311743 SPRMMNIUAQFVCQ-IJLUTSLNSA-N 315.439 -0.063 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3onc(C)c3C)[C@H]2C1 1114447537 PWBFFGIJLLXNDC-RYUDHWBXSA-N 316.361 -0.299 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)[C@]3(C)CNC(=O)C3)[C@@H]2C1 1114601883 GOJILBZBMDLUHU-HSMVNMDESA-N 305.378 -0.791 30 20 DBED C=CCOCCN1C[C@H]2[C@H](NC(=O)[C@@H]3CCN(C)C3=O)[C@H]2C1 1114714694 XEGSXCRLSXMFDJ-IGQOVBAYSA-N 307.394 -0.286 30 20 DBED CCn1cccc1C(=O)NC1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]12 1115248059 QGRPJHWOMWPKIG-VXGBXAGGSA-N 315.377 -0.192 30 20 DBED C#CCNC(=O)CC(=O)N(C)C[C@@H](C)Nc1nccc(OC)n1 1115683471 BTIGGFAVZUQRPG-LLVKDONJSA-N 319.365 -0.117 30 20 DBED N#CCn1cc(NC(=O)C(=O)N2CCSC[C@H]2CO)cn1 1116730502 RCNADWSVIDFEIL-SNVBAGLBSA-N 309.351 -0.719 30 20 DBED COc1cc(CC(=O)NCC(=O)NCC#N)cc(OC)c1O 1117273816 ISDMXLFDIKKXKT-UHFFFAOYSA-N 307.306 -0.292 30 20 DBED C#CCCCNC(=O)C(=O)N1CCC(N2CCCNC2=O)CC1 1117381848 DMNMUPRCTGLKSU-UHFFFAOYSA-N 320.393 -0.078 30 20 DBED C#CC1CCN(C(=O)C(=O)NC2CCN(CC#N)CC2)CC1 1118216656 IJSTXISTUATWHD-UHFFFAOYSA-N 302.378 -0.038 30 20 DBED C=CCCOCCNC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1119136804 PLXWLPPTNVYWBY-AWEZNQCLSA-N 320.393 -0.106 30 20 DBED C=CCn1c(N(C)CCNC(C)=O)nnc1[C@](C)(O)COC 1121680297 VYWNGPNOOKYKPN-CQSZACIVSA-N 311.386 -0.110 30 20 DBED Cc1nc(O)[nH]c1C(=O)NC[C@H](CO)Nc1cnc(C#N)cn1 1122158179 JJYUACSWJDJSAJ-SECBINFHSA-N 317.309 -0.712 30 20 DBED CCN(C)C(C)(C)C(=O)NC[C@@H](CO)Nc1cnc(C#N)cn1 1122190359 OPXRNDVKKLCZME-LBPRGKRZSA-N 320.397 -0.032 30 20 DBED C[C@@H]1[C@H](NC(=O)CNC(N)=O)CCCN1c1nccnc1C#N 1123512273 CSXOVMFUZSOLIL-NXEZZACHSA-N 317.353 -0.510 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)c1cc(C)n(C)n1 1124282010 PJRSYRVGONNPOV-UHFFFAOYSA-N 322.369 -0.940 30 20 DBED CN(C[C@@H](O)CNc1cncc(C#N)n1)C(=O)[C@]1(F)CCOC1 1124665104 HNDGLWCFOJUMKM-FZMZJTMJSA-N 323.328 -0.292 30 20 DBED CN(C)CCC(=O)N(C)C[C@H](O)CNc1cnc(C#N)cn1 1124708769 ILKBLRZGAOITBN-GFCCVEGCSA-N 306.370 -0.469 30 20 DBED CN(C[C@H](O)CN(C)c1ccc(C#N)nc1)C(=O)c1cnon1 1125139979 SCOWQTPSFKUURK-GFCCVEGCSA-N 316.321 -0.094 30 20 DBED C#CCNC(=O)CC(=O)NCCN[C@@H](C)c1nc(C2CC2)no1 1126002927 PQCFKNLHVGJLSE-JTQLQIEISA-N 319.365 -0.147 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)c1coc(CC)n1 1126061198 CPDSWZKOHTZRET-UHFFFAOYSA-N 323.353 -0.432 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCNCC(=O)Nc1cnccn1 1126365691 MOQPETZUNHYDGJ-CQSZACIVSA-N 307.354 -0.552 30 20 DBED C#CCO[C@H](C)C(=O)NCCNCC(=O)Nc1cc(C)on1 1127047175 ZAZAUZOOPUNKGW-LLVKDONJSA-N 308.338 -0.334 30 20 DBED CCNC(=O)CC(=O)NCc1cnn2c1CN(CC#N)CC2 1128312879 UQSYPECDIVCSGQ-UHFFFAOYSA-N 304.354 -0.635 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)C1(CC#C)CCOCC1 1129120853 GXYPRCIODMAZLM-AWEZNQCLSA-N 319.405 -0.350 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1nc[nH]c2nccc1-2 1130858043 KLDSMFCJABSPFV-SNVBAGLBSA-N 314.349 -0.633 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1cc(CC)nnc1C 1131805588 KVXBTDZEIRAWFF-LBPRGKRZSA-N 317.393 -0.195 30 20 DBED C#CCNC(=O)CN1C[C@H](NC(=O)c2ccnn2C)CC[C@@H]1C 1131861524 MHBFOZHZJQUYMJ-QWHCGFSZSA-N 317.393 -0.248 30 20 DBED C[C@@H]1CC[C@@H](NC(=O)c2ccn(C)n2)CN1CC(=O)NCC#N 1132490237 SASCJYGTINAFTH-VXGBXAGGSA-N 318.381 -0.357 30 20 DBED C=C[C@@H](C)[C@@H](C)C(=O)NCCNCC(=O)N1CCNC(=O)C1 1132569459 RUMREYKNMFAIHI-VXGBXAGGSA-N 310.398 -0.891 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)[C@@]2(C)CCC(=O)NC2)C1=O 1132719686 WXXISZMUGZQZJH-LRDDRELGSA-N 322.409 -0.605 30 20 DBED C#CCNC[C@H]1CN(C(=O)c2cnc(O)n(C)c2=O)CC[C@H]1C 1133026666 OCWUXJRFUAWKNE-NEPJUHHUSA-N 318.377 -0.193 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1ncn(C(C)(C)C)n1 1133812994 KUJQSAYOXHIOJZ-UHFFFAOYSA-N 306.370 -0.898 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)[C@@H]1CN(C)C[C@H]1C 1133866948 QAMIFAVVLNBKID-ZIAGYGMSSA-N 323.441 -0.348 30 20 DBED CC#CCN[C@@H](C)C[C@H](C)NC(=O)Cn1cnc(C(N)=O)n1 1134398856 IEYNTTSWCOZZHX-QWRGUYRKSA-N 306.370 -0.727 30 20 DBED CC#CCN[C@H](C)C[C@@H](C)NC(=O)CNS(=O)(=O)CC 1134505432 QCTYVOUYUXBLQA-VXGBXAGGSA-N 303.428 -0.178 30 20 DBED C=CCn1cc(C(=O)NCCN[C@@H](C)c2nncn2C)nn1 1134969308 GAYCBFQICVMDLY-JTQLQIEISA-N 304.358 -0.327 30 20 DBED C#CCN[C@H](C)C[C@H](C)NC(=O)c1cc(=O)n2[nH]cnc2n1 1135923492 LDDPOOXQCQTRQG-ZJUUUORDSA-N 302.338 -0.463 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)C[C@H](C)OC)C2 1147175782 WIMCMKAJFAOSAG-ZDUSSCGKSA-N 307.394 -0.305 30 20 DBED C=CCOCC(=O)N1CC2(CCN([C@H]3CCC(=O)NC3=O)C2)C1 1147260929 KMTLBNPAJSFDQY-LBPRGKRZSA-N 321.377 -0.472 30 20 DBED COCC#CCN1CCC2(C1)CN(C(=O)CCc1nc[nH]n1)C2 1147310949 IIHULBRFYXJIMA-UHFFFAOYSA-N 317.393 -0.079 30 20 DBED COCC#CCN1CCC2(C1)CN(C(=O)[C@H]1COCCN1C)C2 1147355137 QGJHZUDXOOMMJU-OAHLLOKOSA-N 321.421 -0.499 30 20 DBED C#CCN1CCC2(C1)CN(C(=O)C(=O)NCC(F)(F)F)C2 1148524797 VAPQAEVTMDRENP-UHFFFAOYSA-N 303.284 -0.168 30 20 DBED C[C@H](C#N)C(=O)NCCCNC[C@@H](O)COC1CCOCC1 1155848782 PAJSOMDAUBROJT-CHWSQXEVSA-N 313.398 -0.202 30 20 DBED CC#CCN(C)C[C@H]1CCCCN1C(=O)C[C@@H]1NC(=O)NC1=O 1158082598 GPJSBIYRGRACEY-OLZOCXBDSA-N 320.393 -0.079 30 20 DBED C#CCN(C)C[C@H]1CCCCN1C(=O)Cn1ncn(C)c1=O 1158163976 FXZRUFKGZCVQNL-CYBMUJFWSA-N 305.382 -0.472 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCC[C@@H](C)NC(=O)CNC(C)=O 1168866105 OVXTTWVNUXCSPG-CHWSQXEVSA-N 324.425 -0.475 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2ccnn2C)[C@H]1C 1178267407 CPZDKQVDZKACAV-RYUDHWBXSA-N 303.366 -0.638 30 20 DBED C=CCCOCC(=O)N1CC[C@H](NCC(=O)NC(N)=O)[C@@H]1C 1180260930 SFYZQLZWNDBFCX-QWRGUYRKSA-N 312.370 -0.647 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2ccc(C)nc2)C1 1180979682 VGVBYGBBCPCQDT-CQSZACIVSA-N 300.362 -0.056 30 20 DBED N#CCNC[C@H]1CN(C(=O)[C@H]2COC(=O)N2)CC12CCOCC2 1186368930 YNSPVIWAGYDQIE-NWDGAFQWSA-N 322.365 -0.537 30 20 DBED CN(CC(=O)NCC#N)[C@@H]1CCN(C(=O)c2ccn(C)c2)C1 1189642862 VIRKFCBFFUMPOI-CYBMUJFWSA-N 303.366 -0.189 30 20 DBED CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[C@@H](N(C)CC#N)C1 1190290050 INQDJABGQCEFTL-WDEREUQCSA-N 302.400 -0.630 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)CC[C@H]2CCCO2)C1 1191204104 QDZIBXISKUTZEC-RBSFLKMASA-N 310.394 -0.243 30 20 DBED COCC#CCN(C)[C@@H]1CCN(C(=O)[C@]2(C)CNC(=O)C2)C1 1191478025 CTTILJXYOHOLCE-CJNGLKHVSA-N 307.394 -0.305 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)COCCC)C1 1191589560 SVOLPVYWZPSUNH-JHJVBQTASA-N 313.398 -0.735 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)c2cc(C)ncn2)C1 1192230659 PILPUTIIKPTQNX-ZIAGYGMSSA-N 306.366 -0.237 30 20 DBED CCN1CCO[C@@H](C(=O)N2CC[C@@H](N(C)CC#CCOC)C2)C1 1194154034 JFEMBEYXGLUYSD-HZPDHXFCSA-N 323.437 -0.110 30 20 DBED CCS(=O)(=O)CC(=O)N1CC[C@H](N(C)CC#CCOC)C1 1194256403 QARONJAJQUMAJS-ZDUSSCGKSA-N 316.423 -0.396 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC[C@H](N(C)Cc2nnnn2C)C1 1194397303 SKJSPWZLFQKMFT-RYUDHWBXSA-N 308.386 -0.166 30 20 DBED N#CCNC(=O)CN1CCCN(C(=O)C2CCOCC2)CC1 1194612676 TVDMOJDCWZUHPS-UHFFFAOYSA-N 308.382 -0.413 30 20 DBED C=C[C@H](CC)CC(=O)N[C@@H]1CN(CCOCCO)C[C@H]1O 1195567712 RPRGAMNYVYVINV-MGPQQGTHSA-N 300.399 -0.241 30 20 DBED C=CCCCN1C[C@@H](O)[C@H](NC(=O)CN2CC(=O)N(C)C2=O)C1 1197758118 GCZWJPYHSPYZTK-VXGBXAGGSA-N 324.381 -0.992 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)c2cc(C)on2)CC1 1199217368 JHYWOVJFCOXZJC-UHFFFAOYSA-N 304.350 -0.073 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)[C@H](C)n2cncn2)CC1 1200111125 MCBAWTPAKJZGTR-LBPRGKRZSA-N 318.381 -0.831 30 20 DBED C=CCN[C@@H]1C[C@H](NC(=O)CNC(=O)CNC(C)=O)C12CCC2 1203095871 VBWBLIFXTDRIEH-OLZOCXBDSA-N 322.409 -0.558 30 20 DBED COCC#CCNCC1CCN(C(=O)c2ncn(C)n2)CC1 1205159514 XVUHPSHRSLRBGS-UHFFFAOYSA-N 305.382 -0.093 30 20 DBED CNS(=O)(=O)CCC(=O)N1CCC(CNCC#N)CC1 1205272266 YWRPJWPNNISNNS-UHFFFAOYSA-N 302.400 -0.723 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)c2cnc(C)[nH]2)[C@H](C)C1 1206585844 FVVSFPNNOIQIPF-JTNHKYCSSA-N 317.393 -0.094 30 20 DBED Cn1nnc(CN[C@@H]2CCCN(C(=O)CSCC#N)C2)n1 1207409767 JKAJAVVOAUQNHK-SNVBAGLBSA-N 309.399 -0.453 30 20 DBED CC#CCN[C@H]1CCCN(C(=O)[C@@H]2CCN(C)S2(=O)=O)C1 1210060853 KSXVPGPSXOEWSV-STQMWFEESA-N 313.423 -0.376 30 20 DBED C=C(C)CCN[C@H]1CCCN(C(=O)c2cn(CC(N)=O)nn2)C1 1211256665 LKZMZNDDWDVMTC-LBPRGKRZSA-N 320.397 -0.076 30 20 DBED C#CCN1C[C@@H](NC(=O)CS(=O)(=O)CC(C)C)[C@H](OC)C1 1212474152 FIYFLWSDTBCVHJ-CHWSQXEVSA-N 316.423 -0.494 30 20 DBED COCC#CCN1C[C@@H](NC(=O)[C@H]2OCC[C@H]2C)[C@H](OC)C1 1213458413 XOIVEMWWDFWVKD-TUVASFSCSA-N 310.394 -0.123 30 20 DBED C=CCCCN1C[C@@H](NC(=O)CS(=O)(=O)NC)[C@H](OC)C1 1213874431 UHFBYZHWYJZMPR-VXGBXAGGSA-N 319.427 -0.683 30 20 DBED C#CCOCCC(=O)N1C[C@@H](NCc2nnnn2C)[C@H](C)C1 1214606278 AYYDATAWDFBTHN-VXGBXAGGSA-N 306.370 -0.814 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)CN(C)C(=O)C2CC2)C[C@H]1C 1214768080 AOVYBXHEWLHNPL-UKRRQHHQSA-N 321.421 -0.059 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2cc(Cl)c[nH]2)C1 1219177782 WBMLRRBNFBOGEO-NEPJUHHUSA-N 324.768 -0.808 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)c2n[nH]c(C)c2C)C1 1219394419 BUWZWJIHOINJRN-OLZOCXBDSA-N 306.366 -0.549 30 20 DBED CC(C)(C)NC(=O)CN1C[C@H](O)[C@H](NC(=O)C#CC2CC2)C1 1219578537 IDMJZQOBBOKXFQ-OLZOCXBDSA-N 307.394 -0.524 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@]2(C)CC=CCC2)C1 1219685918 ADWVMJJJFCFVQE-JKIFEVAISA-N 319.405 -0.357 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)CCc2cscn2)C1 1221156504 PFAQKWVBZNMFMC-KGLIPLIRSA-N 323.418 -0.113 30 20 DBED C#CCCN1CC[C@@H]2CN(C(=O)CN(C)S(C)(=O)=O)[C@@H]2C1 1221590685 BZMHXLIABFDMMN-CHWSQXEVSA-N 313.423 -0.566 30 20 DBED C#CCNC(=O)CC(=O)NCC1CCN(CC(=O)N(C)C)CC1 1222907752 PZBQUTIKSYXAEE-UHFFFAOYSA-N 322.409 -0.958 30 20 DBED C=CCN1CC[C@@H](N2CCC(NC(=O)CNC(N)=O)CC2)C1=O 1226010486 NYFPEXNSQNUKDS-GFCCVEGCSA-N 323.397 -0.978 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)c2csnn2)CC1 1228483858 WUQXYSMFDYSXOQ-UHFFFAOYSA-N 307.379 -0.518 30 20 DBED CC#CCN1CCC(NC(=O)CCCS(N)(=O)=O)CC1 1228935584 VDEXOJUKFFSUBF-UHFFFAOYSA-N 301.412 -0.341 30 20 DBED C=CCN1CCS(=O)(=O)[C@@H](CCNC(=O)c2ncccn2)C1 1230511950 FFEFNNWYMVLCTL-LBPRGKRZSA-N 324.406 -0.119 30 20 DBED Cc1cc(C(=O)N(C)C[C@H]2CCN2CC(=O)NCC#N)cnn1 1233864774 DAPLGYLXGICFGW-CYBMUJFWSA-N 316.365 -0.429 30 20 DBED C=CCNC(=O)NC(=O)CN1CC[C@H](NC(=O)CCCF)C1 1267727862 PPRDONRAAPCYAS-NSHDSACASA-N 314.361 -0.062 30 20 DBED COC(=O)C(C)(C)NC(=O)CCN/C(O)=C1/N=CC=CC1=O 1318501223 VQJMJNISDHXHEM-QXMHVHEDSA-N 309.322 -0.029 30 20 DBED C#CCNC(=S)N[C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 1319956006 URPZGWRTHWZNJV-ZYHUDNBSSA-N 302.421 -0.180 30 20 DBED CCn1cc([C@H]2C[S@](=O)CCN2CC(=O)NCC#N)cn1 1320719172 RAIACKWUCJSVBF-XUSGNXJCSA-N 309.395 -0.352 30 20 DBED C#CCCCCNC(=O)C(=O)NCCS(=O)(=O)NC(C)C 1321974954 JQRKGSZNVWHNLC-UHFFFAOYSA-N 317.411 -0.650 30 20 DBED CC#CCCNC(=O)C(=O)NCC1(CS(C)(=O)=O)CC1 1324221151 YWLZUKTUCITHHB-UHFFFAOYSA-N 300.380 -0.543 30 20 DBED O=C(CS[C@H]1CCS(=O)(=O)C1)N[C@H]1CCCN(O)C1=O 1325089905 VDIZCAOFZZJIFX-IUCAKERBSA-N 322.408 -0.597 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)NCc2cn3ccsc3n2)CCO1 1325423799 PNHNJPZIJSFCRM-JTQLQIEISA-N 319.346 -0.237 30 20 DBED C#CCOCCNC(=O)C(=O)NCc1c(CC)nn(C)c1OC 1325615543 QZWOLUJBPZYUOU-UHFFFAOYSA-N 322.365 -0.627 30 20 DBED C=CCn1cc(CNC(=O)NC[C@H]2CC[C@H](C(N)=O)O2)nn1 1325897024 QQZWHQAIINHQLZ-GHMZBOCLSA-N 308.342 -0.704 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)NC[C@H](C)COC 1325913053 BXZUFDZMTUJSRK-JTQLQIEISA-N 306.384 -0.898 30 20 DBED C=CCn1cc(CNC(=O)NCCn2cnc(C#N)n2)nn1 1326219042 OGZRGXYOLWZIFR-UHFFFAOYSA-N 301.314 -0.573 30 20 DBED C#CCSCCNC(=O)C(=O)N[C@H]1C[C@H]2CCCCN2C1=O 1327682780 HHBFDJBZTYJXTC-NEPJUHHUSA-N 323.418 -0.261 30 20 DBED COCCN1CC[C@@H](NC(=O)C(=O)N2CCC[C@H](CC#N)C2)C1 1328017947 DFSFHTAGHUUBNO-ZIAGYGMSSA-N 322.409 -0.024 30 20 DBED N#C[C@H]1CC[C@@H](NC(=O)C(=O)N[C@H]2CCc3nnnn3CC2)C1 1328096400 XGRVEGLDEHRKRU-GARJFASQSA-N 317.353 -0.697 30 20 DBED CO[C@H](C=NN1C(=O)[C@@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C1=O)[C@H]1CCOC1 1329731341 LRWZIMCUIBUBPZ-ZSIRSIGDSA-N 306.318 -0.038 30 20 DBED C=CCN(C)C(=O)C(=O)N[C@@H]1CCN(C2CCOCC2)C1=O 1330000873 DFEXIWXGVLLGEX-GFCCVEGCSA-N 309.366 -0.473 30 20 DBED COCC#CC(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1333883797 DHQQVQRKYBYOAZ-CHWSQXEVSA-N 315.391 -0.169 30 20 DBED C#C[C@@H](NC(=O)C(=O)N[C@@H]1COCC[C@H]1OC)[C@H]1CCCO1 1334906471 GGTIAPABBXYWRV-FDYHWXHSSA-N 310.350 -0.797 30 20 DBED C#CCNC(=O)C1CCN(C(=O)[C@@H]2CSCC(=O)N2)CC1 1336483457 RAGJRXKPVUBKLB-NSHDSACASA-N 309.391 -0.794 30 20 DBED C[C@@H](C(=O)NC1(C#N)CCC1)N1CCC(S(N)(=O)=O)CC1 1338766379 DTWIDPDMFYRMRG-JTQLQIEISA-N 314.411 -0.310 30 20 DBED CNC(=O)COc1ccc(C(=O)[C@H](C#N)C(=O)NC)cc1OC 1343990381 JFNSWVZOUGIPIV-JTQLQIEISA-N 319.317 -0.112 30 20 DBED Cc1cc(C=NNC(=S)NCCN2CCOCC2)ncn1 1347600954 VLHOKMUWJAAMNJ-UHFFFAOYSA-N 308.411 -0.085 30 20 DBED C=CCn1c(C[N+](=O)[O-])nnc1N1CCN2CCOC[C@H]2C1 1356116208 QTYRMTZMOLLZHN-LLVKDONJSA-N 308.342 -0.238 30 20 DBED N#CC1CCN(C(=O)CCn2cc(S(N)(=O)=O)cn2)CC1 1361953342 PIOZQYNLRSSQRU-UHFFFAOYSA-N 311.367 -0.317 30 20 DBED CC[C@@H](C)NC(=O)CCNS(=O)(=O)N1CCO[C@@H](C#N)C1 1364075676 RJZSMXVVFCYHBI-MNOVXSKESA-N 318.399 -0.650 30 20 DBED C[C@@H](C#N)C(=O)NC[C@]1(C)CCN(C(=O)c2cn(C)nn2)C1 1379855750 XAGUAIHCHQRIHV-HZMBPMFUSA-N 304.354 -0.057 30 20 DBED C[C@H](C#N)C(=O)NCC1CN(C(=O)[C@H]2CCCS2(=O)=O)C1 1387930706 SORKBYKPQZYYOL-MWLCHTKSSA-N 313.379 -0.702 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1cc2ncccn2n1 1389119463 FNQZRPYXPQLROB-UWVGGRQHSA-N 316.321 -0.904 30 20 DBED COCCn1nccc1C(=O)N(C)CCNC(=O)[C@@H](C)C#N 1408673618 BXCDOVDDZAFRHO-NSHDSACASA-N 307.354 -0.123 30 20 DBED Cc1ccn(C)c1C(=O)NCCn1cc(C#N)c(O)nc1=O 1412374747 RBHCNKLWOGTZRP-UHFFFAOYSA-N 301.306 -0.103 30 20 DBED CCOC(=O)c1cnn(C)c1NC(=O)CN1CC(O)(CC#N)C1 1412965873 DXCPOGBUCGQGFS-UHFFFAOYSA-N 321.337 -0.504 30 20 DBED C=C(Cl)CNC[C@H]1CN(C(=O)Cn2cnnn2)CCO1 1421786946 OUDUODWDONCDFH-JTQLQIEISA-N 300.750 -0.757 30 20 DBED C=C(Cl)CN1CC[C@](O)(CNC(=O)CNC(=O)NC)C1 1423764079 MKDWQNSPFILBJD-LBPRGKRZSA-N 304.778 -0.779 30 20 DBED C[C@H](C#N)C(=O)N1CCC(O)(CNCc2cnn(C)n2)CC1 1424546962 MRKPADSHLSJBGO-LLVKDONJSA-N 306.370 -0.582 30 20 DBED CCc1cnc(CNC(=O)Cn2cc(C#N)c(O)nc2=O)o1 1433933989 GMSHFLVCSZHNEP-UHFFFAOYSA-N 303.278 -0.313 30 20 DBED CCN(CCC#N)C(=O)CN1CC[C@@](O)(CNC(=O)C2CC2)C1 1439973649 ILUQQTVMJPHARW-MRXNPFEDSA-N 322.409 -0.288 30 20 DBED COCC(=O)NCc1cc(O)nc(CNC(=O)[C@H](C)C#N)n1 1446057042 WJBYHFSUQASUTC-MRVPVSSYSA-N 307.310 -0.779 30 20 DBED C=C(Cl)CNC[C@H](O)CN(C)C(=O)Cc1n[nH]c(C)n1 1449133375 XQCSDJWAWOFGBM-JTQLQIEISA-N 301.778 -0.183 30 20 DBED Cn1ccc(NC(=O)NCCn2cc(C#N)c(O)nc2=O)n1 1465461413 CKUCDXJWUCZRJA-UHFFFAOYSA-N 303.282 -0.624 30 20 DBED COc1ncc(NC(=O)c2cnn(C[C@H](O)CO)c2)cc1C#N 1471781654 RBTAMWBOHRLUHN-LBPRGKRZSA-N 317.305 -0.236 30 20 DBED COCC1(C(=O)N(C)C[C@H](O)CNC(=O)[C@H](C)C#N)CCC1 1511576022 ZCAKUNLLGBQQHQ-VXGBXAGGSA-N 311.382 -0.102 30 20 DBED N#Cc1csc(CNS(=O)(=O)C[C@H]2CNCCO2)n1 1574248085 BXNBNRXPSCWTBT-SECBINFHSA-N 302.381 -0.577 30 20 DBED CC(C)(C)C(=O)N1CCO[C@@H](C(=O)N2CCNC[C@H]2C#N)C1 1575098542 GGLCCGZWAXVBMV-VXGBXAGGSA-N 308.382 -0.416 30 20 DBED COC(=O)N[C@H]1CCN(c2cnc(-c3nn[nH]n3)c(C#N)n2)C1 1579466355 PHSPTSZZFPPQSR-ZETCQYMHSA-N 315.297 -0.537 30 20 DBED N#Cc1ncc(NC[C@H](O)COCC2CC2)nc1-c1nn[nH]n1 1581882566 CYMPJKDLWYBPRV-VIFPVBQESA-N 316.325 -0.272 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCC[C@@H](CC(=O)O)C1)[C@@H]1CCCO1 1588388780 ZYEAWJOJOQRKSB-AVGNSLFASA-N 322.361 -0.003 30 20 DBED C[C@@H](C(=O)OC[C@H]1CCCN1CC(=O)O)n1cnc(C#N)n1 1588606398 DYMBMFDOAYUOPN-VHSXEESVSA-N 307.310 -0.197 30 20 DBED CC#CCCNC(=O)CCn1cc(-c2nn[nH]n2)c(O)nc1=O 1588746828 XVRIBOQOPAIXDA-UHFFFAOYSA-N 317.309 -0.951 30 20 DBED C=CCCC[C@H](NC(=O)CN(C)S(=O)(=O)N(C)C)C(=O)O 1588788621 IKZLGPFOQQUXET-JTQLQIEISA-N 321.399 -0.350 30 20 DBED COc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H](O)CC(=O)O 1599476684 JLPMSNBQHBGESE-VIFPVBQESA-N 321.289 -0.543 30 20 DBED C#CCN(CC(=O)O)c1nnc([C@H]2CC=NO2)n1CCOC 1602700718 FVUZVWIQTXNFDN-SNVBAGLBSA-N 307.310 -0.104 30 20 DBED C=C(C)C[C@H](CO)NC(=O)NCCC(=O)NCCC(=O)O 1602750888 ZVESVFLEOQZSOQ-SNVBAGLBSA-N 301.343 -0.406 30 20 DBED C=CCOC[C@@H](NC(=O)CCCN1C(=O)CCC1=O)C(=O)O 1602909752 GOPCRZOZTWYRAQ-SNVBAGLBSA-N 312.322 -0.312 30 20 DBED N#Cc1ccc(NCC(=O)NCCC(=O)NCCC(=O)O)nc1 1608208680 KUOFNUKBGLQDEJ-UHFFFAOYSA-N 319.321 -0.538 30 20 DBED C=CC1CCN(C(=O)C(=O)N2C[C@H](O)C[C@@H](C(=O)O)C2)CC1 1609287113 FOJXYBWLPJGZRD-VXGBXAGGSA-N 310.350 -0.295 30 20 DBED C=CCNC(=O)[C@H](C)N1CC[C@H](NC(=O)c2ccncn2)C1 1713960023 RKZXYKRZAQBNBK-RYUDHWBXSA-N 303.366 -0.029 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@H]1C[C@H](NC(=O)CCc2cnn[nH]2)C1 1752665907 YGTVCNBLEXCQLQ-RAIGVLPGSA-N 320.397 -0.335 30 20 DBED C#CCN1CC[C@@H](CCNC(=O)CCCn2c(O)nnc2O)C1 1753331137 QVARDRZUHUFZOX-GFCCVEGCSA-N 321.381 -0.069 30 20 DBED C=CCCC(=O)N(C)CCN1CCN([C@H]2CCNC2=O)CC1 1753343079 BDCNPRSAYMYHJE-AWEZNQCLSA-N 308.426 -0.083 30 20 DBED CNS(=O)(=O)CC(=O)N1CCC(CN(C)CC#N)CC1 1753367447 KEHVWTRDVBKTET-UHFFFAOYSA-N 302.400 -0.770 30 20 DBED C=CCNC(=O)CN1CC[C@@H](N(C)C(=O)[C@@H](C)NC(=O)CC)C1 1753436776 NHGZRATZDKHPOC-CHWSQXEVSA-N 324.425 -0.264 30 20 DBED CC[C@@H](CNC(=O)C[C@@H]1CCCC(=O)N1)NCC(=O)NCC#N 1753479031 LBJSLRJIUYLLAB-RYUDHWBXSA-N 323.397 -0.831 30 20 DBED C#CCNC(=O)[C@H](C)NCCN(CC)C(=O)c1cn(C)nn1 1754043121 CWBQDMLCRWGPFW-NSHDSACASA-N 306.370 -0.995 30 20 DBED C=CCNC(=O)CNC[C@H](C)NC(=O)c1cnc(N(C)C)cn1 1754267630 QQHMFXQSSUOILH-NSHDSACASA-N 320.397 -0.447 30 20 DBED C=CCNC(=O)CN1CC[C@H]1CNC(=O)c1c(C)nn(C)c1F 1754501552 TZOPLAPAPOUBCD-NSHDSACASA-N 323.372 -0.026 30 20 DBED C#CCNC(=O)CN1CCOC[C@H]1CNC(=O)c1ccn(C)c1 1754965186 JRLFYROOGQYNPC-CQSZACIVSA-N 318.377 -0.795 30 20 DBED C=CCNC(=O)CN[C@@H](C)[C@@H](C)NC(=O)Cn1ccccc1=O 1755269774 QYPKHCBBHPPJIL-QWHCGFSZSA-N 320.393 -0.367 30 20 DBED COCC#CCN(C)CCOCCNC(=O)c1cn(C)c(O)n1 1755543399 RZHCZKAOPOXICM-UHFFFAOYSA-N 324.381 -0.546 30 20 DBED CN1C[C@H](c2ccccc2)[C@@H](C(=O)NC[C@H](CO)NCC#N)C1 1755638873 FNIMPRVMZLLTMM-OAGGEKHMSA-N 316.405 -0.078 30 20 DBED C[C@@H](NC(=O)CN1C(=O)CNC1=O)C1CCN(CC#N)CC1 1755846258 SEXVRPOGFHXUOK-SNVBAGLBSA-N 307.354 -0.722 30 20 DBED C=CCCCC(=O)NC[C@H]1[C@@H]2CN(C(=O)Cn3ncnn3)C[C@H]12 1756208513 QIQAUJLYOYJGJO-XYYAHUGASA-N 318.381 -0.150 30 20 DBED C=CCCC(=O)NC[C@@H](O)CN(C)C(=O)[C@H]1CC(=O)N(C)C1 1756666589 BZHQTDLRCJDLQP-NWDGAFQWSA-N 311.382 -0.634 30 20 DBED C=C[C@](C)(CC)C(=O)N(C)C[C@H](O)CNC(=O)c1cnnn1C 1756675343 CGVVGPBXQRFHKB-IAQYHMDHSA-N 323.397 -0.034 30 20 DBED C#CCCCC(=O)N(C)C[C@H]1CCN1C(=O)CC(=O)NCC#C 1757284845 OFPZDOURBFSWIA-CQSZACIVSA-N 317.389 -0.011 30 20 DBED N#C[C@H]1CNC[C@@H]1NC(=O)CNS(=O)(=O)c1ccccc1 1771754880 UMVXCQXIVNBEDT-JQWIXIFHSA-N 308.363 -0.807 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccncc1O)CCO2 1783053667 BBYCADNNHQJXRR-INIZCTEOSA-N 315.329 -0.136 30 20 DBED C=CCC(=O)N1CC[C@]2(C1)CN(C(=O)CC(=O)NC)CCO2 1783915863 SCSAGGTVFBKXLG-HNNXBMFYSA-N 309.366 -0.472 30 20 DBED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)CC(N)=O)[C@H]2C1 1784602318 FJFBYBXSROFIFL-CYDGBPFRSA-N 321.377 -0.889 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccnnc1 1794673852 OHNLTSUINLMACV-DABQJJPHSA-N 300.318 -0.687 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)no1)C2 1800453843 TZQXKWHHGZRWNI-YFKFIEJBSA-N 305.290 -0.783 30 20 DBED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)c2cccnc2)C1 1842394201 KURGPWWSEHPXJK-UHFFFAOYSA-N 313.313 -0.013 30 20 DBED C#CCCC(=O)N1CCCC12CN(C(=O)CN1CCOCC1)C2 1846995761 KMIOTKADFTYFNN-UHFFFAOYSA-N 319.405 -0.065 30 20 DBED CCN(CCC#N)C(=O)CN1CC[C@@H](S(=O)(=O)NC)C1 156013754 HAOYUQCLCCTOID-LLVKDONJSA-N 302.400 -0.628 30 20 DBED C/N=C(/NCC(=O)NC)N1CCN([C@@H](C)C(F)(F)F)CC1 261767964 GLBQYWPRHSPKKY-VIFPVBQESA-N 309.336 -0.124 30 20 DBED C/N=C(/NCC(=O)N1CCCCC1)N1CCN(C(C)=O)CC1 263242260 LNRKMLUUDLIGRD-UHFFFAOYSA-N 309.414 -0.262 30 20 DBED CN1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2F)CC1=O 269320202 ITJQRDMJEOCALK-UHFFFAOYSA-N 304.281 -0.064 30 20 DBED C=CCCOCCNC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 270186851 HGTYBGQOWSQORW-HBJVGIJOSA-N 322.361 -0.142 30 20 DBED COC(=O)[C@@H](NS(=O)(=O)Cc1ccc(C#N)cc1)[C@H](C)O 289102426 HJVHEHKUYHCPOH-CABZTGNLSA-N 312.347 -0.100 30 20 DBED CNC(=O)NCCC(=O)N1CCN(c2ncccc2C#N)CC1 292738609 MSDXJBSNCKIUCG-UHFFFAOYSA-N 316.365 -0.079 30 20 DBED CCN(CC#N)C(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 299326006 WNTIZDKDEPQCAX-UHFFFAOYSA-N 318.337 -0.804 30 20 DBED COCCn1ccc(N/C(O)=N/C[C@H]2CN(C)CCN2C)n1 329403124 ZPEQVSCWPUOROD-LBPRGKRZSA-N 310.402 0.101 30 20 DBED C[C@H](C/N=C(/O)NC[C@@H]1COCCO1)CN1CCOCC1 329835172 LHVLSFHCISJVKD-CHWSQXEVSA-N 301.387 -0.126 30 20 DBED C[C@H](CN1CCN(C)CC1)N/C(O)=N/C[C@@]1(O)CCSC1 330007426 DNJNDCKYLZFCEF-OCCSQVGLSA-N 316.471 -0.006 30 20 DBED CC[C@H](N/C(O)=N/[C@H](C)C[S@@](C)=O)C(=O)N1CCOCC1 330823940 GVOTWBOLAPGDBM-NNUHMIRASA-N 319.427 -0.106 30 20 DBED CC(C)CN1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)CC1 336909956 ICDIHLBRADPDJD-CYBMUJFWSA-N 316.427 -0.271 30 20 DBED CNC(=O)N[C@@H]1CCN(S(=O)(=O)N(C)[C@@H](C)CC#N)C1 337838388 UTONUGRJLYLEAX-VHSXEESVSA-N 303.388 -0.532 30 20 DBED CN(CCC#N)S(=O)(=O)N[C@@H](C1CC1)[C@]1(CO)CCCO1 339145956 YWCUZPBROGUCAZ-QWHCGFSZSA-N 317.411 -0.014 30 20 DBED CCOC(=O)c1ccc(C(=O)NCC(=O)NCC#N)nc1C 343542403 HOZZCYCNQWMABW-UHFFFAOYSA-N 304.306 -0.064 30 20 DBED N#CCN(CC#N)C(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 346783083 ZRHBUZMBYGUDDJ-CNVPUSNMSA-N 302.290 -0.975 30 20 DBED COCCCNC(=O)[C@@H](C)N1CCN(C(=O)[C@@H](C)C#N)CC1 347103763 AMUONCDISRHFAG-QWHCGFSZSA-N 310.398 -0.169 30 20 DBED CNC(=O)NC(=O)CN1CCN(c2c(C#N)c(C)nn2C)CC1 349897108 RNLJRBZBIAAOQQ-UHFFFAOYSA-N 319.369 -0.822 30 20 DBED COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)NCC(=O)NCC#N 352533724 VGASKSQPWPHXOK-NXEZZACHSA-N 317.367 -0.723 30 20 DBED N#Cc1ccc(CNC(=O)CSc2nc(=N)[nH]c(=N)[nH]2)cc1 357689296 MWVIVFMHTHRVHF-UHFFFAOYSA-N 315.362 -0.023 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@H]2CN(C)C[C@H]2C)CC1 362450074 CRVBALOBYMDCLD-KGLIPLIRSA-N 308.426 -0.370 30 20 DBED CNS(=O)(=O)[C@@H]1CCCN(S(=O)(=O)CCCC#N)C1 365280309 QZGPAGCICGFTEX-SNVBAGLBSA-N 309.413 -0.366 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](n2cc(C(=O)OC)nn2)C1 371888114 MJOXDAHIISWRLA-LLVKDONJSA-N 306.322 -0.122 30 20 DBED Cn1nnc(Br)c1C(=O)N1CCN(CC#N)CC1 385246345 OOWUFKDWBUBBDB-UHFFFAOYSA-N 313.159 -0.141 30 20 DBED C[C@H]1CN(C(=O)C2(C#N)CCOCC2)CCN1S(C)(=O)=O 408120290 UTXSTIKAUHSGIT-NSHDSACASA-N 315.395 -0.201 30 20 DBED Cn1cnc(S(=O)(=O)NCC(=O)N[C@@H]2CC[C@H](C#N)C2)c1 424965121 IKQPPONYTDZGAX-VHSXEESVSA-N 311.367 -0.493 30 20 DBED N#CCCN(CCN1CCOCC1)C(=O)CC(=O)NCC1CC1 427470859 UWIMKFMCBRMPBO-UHFFFAOYSA-N 322.409 -0.023 30 20 DBED C#CCNC(=O)C1CCN(C(=O)[C@@H](C)CN2CCOCC2)CC1 491068216 NCANZNSPFKJACP-AWEZNQCLSA-N 321.421 -0.057 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)/C=C\C2CCOCC2)CC1 491678481 UIZWQQIWGWZTMT-ARJAWSKDSA-N 319.405 -0.137 30 20 DBED CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC(=O)Cn1cnc(C#N)n1 571233168 FTSORUKEXUCWCK-NOZJJQNGSA-N 304.354 -0.041 30 20 DBED COc1ccccc1COC[C@@H](O)CNCC(=O)NCC#N 572596148 KSUAHYUABNQBGP-ZDUSSCGKSA-N 307.350 -0.198 30 20 DBED C=CCOc1cccnc1C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1O 582251027 JTCMQPSGFMRNAN-NXEZZACHSA-N 312.347 -0.466 30 20 DBED COCCN(CCC#N)S(=O)(=O)N(C[C@H](C)O)C1CC1 594491894 SIZVOFWVTIGICQ-NSHDSACASA-N 305.400 -0.062 30 20 DBED N#C[C@H]1CC[C@@H](NC(=O)[C@@H]2CCCN(S(N)(=O)=O)C2)C1 597791907 ALESFFUQKSNGRB-HBNTYKKESA-N 300.384 -0.290 30 20 DBED C=CCC[C@@H](CO)NC(=O)NCCCN(C)S(C)(=O)=O 655078622 MYBIGGYZAPHKLJ-NSHDSACASA-N 307.416 -0.106 30 20 DBED C=C[C@@H]1OCC[C@H]1NC(=O)N[C@H]1CS(=O)(=O)C[C@H]1OC 661272289 TYMGEGNHPWXKHF-VPOLOUISSA-N 304.368 -0.559 30 20 DBED COC[C@H](C)NC(=O)NC(=O)COC(=O)c1cc(C#N)c[nH]1 748222470 GFDWHVLRRWPKHL-QMMMGPOBSA-N 308.294 -0.096 30 20 DBED C#CCOCCC(=O)N1CCN(C(=O)C(=O)NC(C)C)CC1 755441497 HUDDJBSZAZFYDH-UHFFFAOYSA-N 309.366 -0.778 30 20 DBED Cn1cc(NC(=O)C(=O)NCCNc2ncccc2C#N)cn1 762441649 QFDSNQTWXJAASJ-UHFFFAOYSA-N 313.321 -0.146 30 20 DBED C=C(Br)CNC(=O)N1CC[C@@H](S(N)(=O)=O)C1 770362538 WYVSXEPOTPCMKE-SSDOTTSWSA-N 312.189 -0.033 30 20 DBED C[C@@H](CNc1ccc(S(N)(=O)=O)cc1C#N)S(N)(=O)=O 776817667 PGQAFRMLADBIQY-ZETCQYMHSA-N 318.380 -0.705 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N1CCN2C(=O)NC[C@@H]2C1 783307230 DZSMFKKIMDCYNY-SNVBAGLBSA-N 316.383 -0.994 30 20 DBED C#CCCCNC(=O)C(=O)N[C@H](CC)C(=O)N1CCOCC1 806915918 QWCPJCHKRMEEMH-GFCCVEGCSA-N 309.366 -0.730 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCC[C@@H](CC(N)=O)C1)[C@@H]1CCCO1 809313068 QIOBFUCVVGGPDD-AVGNSLFASA-N 321.377 -0.603 30 20 DBED CCOC(=O)C1=C(Cn2cncc(C#N)c2=O)NC(=O)N[C@@H]1C 809970467 AHRASJLKKTXYJY-MRVPVSSYSA-N 317.305 -0.367 30 20 DBED O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)N[C@@H]1CCCN(O)C1=O 820476307 KAMMDXRHAUSPTI-OUAUKWLOSA-N 323.349 -0.342 30 20 DBED COC(=O)C1(C#N)CCN(C(=O)N[C@@H]2COC[C@H]2OC)CC1 827474216 VORAHBYIVQQVFZ-GHMZBOCLSA-N 311.338 -0.111 30 20 DBED CNC[C@H](C)NC(=O)C(=O)NCc1ccc(OC)c(C#N)c1 851687212 ZUPCSOYDZBTCBB-JTQLQIEISA-N 304.350 -0.093 30 20 DBED C#CC[C@H](CO)NC(=O)[C@H](O)[C@@H](O)c1nc2ccccc2[nH]1 854541442 FWMOSDSSBNNKGA-OASPWFOLSA-N 303.318 -0.542 30 20 DBED CCOC(=O)[C@H](CC(=O)N[C@H]1CCCN(O)C1=O)C(C)=O 854648200 ABPYVTHBRHVQOX-ZJUUUORDSA-N 300.311 -0.359 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)Nc1ncncc1OC 862193213 NKNHGVBBOZOGAN-SNVBAGLBSA-N 306.322 -0.032 30 20 DBED C#CC[C@@H](CCOC)NC(=O)c1ccc(S(N)(=O)=O)nc1 863784542 NDZJZOGADLELON-NSHDSACASA-N 311.363 -0.113 30 20 DBED CC1(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)COC1 870664003 YLFJGEKDJHFXIB-UHFFFAOYSA-N 309.347 -0.370 30 20 DBED C#CC[C@@H](CO)NC(=O)Nc1ccn(CCN2CCOCC2)n1 878765203 KAEHHHNMFXFJTD-ZDUSSCGKSA-N 321.381 -0.279 30 20 DBED C#CCCN(CCOC)C(=O)CN1CCCCS1(=O)=O 880768473 OWJCAVPLCACSJQ-UHFFFAOYSA-N 302.396 -0.090 30 20 DBED C#CCNCC(=O)NCC[C@@](O)(c1nccn1C)C(F)(F)F 912292281 BBPLGOGNWNVPRS-GFCCVEGCSA-N 318.299 -0.101 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H]2CCN(C(=O)[C@@H]3COCCO3)C2)c1 937793793 IKTSXABSIVMFOO-AAEUAGOBSA-N 318.333 -0.368 30 20 DBED Cc1nnsc1C(=O)NC[C@H]1CN(C(=O)[C@H](C)C#N)CCO1 944472019 XIUDDFZRTDSHIZ-SCZZXKLOSA-N 323.378 -0.037 30 20 DBED CC#CCN1C[C@H]2CCN(C(=O)Cn3cnnn3)CC[C@H]2C1 946471519 PKDMBUJGJHHFJX-OKILXGFUSA-N 302.382 -0.133 30 20 DBED C#CCN1CC[C@H](NC(=O)CN2CCN(C)C(=O)C2)C[C@H]1C 947463103 APXMPMVZNGTBNE-KGLIPLIRSA-N 306.410 -0.637 30 20 DBED CC#CCN1CC[C@H](NC(=O)CN2CCNC(=O)C2)C[C@H]1C 947620425 NXELMQKREOWPTO-KGLIPLIRSA-N 306.410 -0.589 30 20 DBED C#CCN1CC[C@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)C[C@H]1C 947998709 NHOWCHYOGJGDPX-NEPJUHHUSA-N 320.393 -0.081 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2nnn(C(C)(C)C)n2)C1 958077138 QFSZPPGXHYZGNJ-MNOVXSKESA-N 306.370 -0.916 30 20 DBED CC#CCN1C[C@H](O)[C@H](CNC(=O)c2cnn3c2CCC3)C1 958120906 BRTOIQHENDAZTC-DOMZBBRYSA-N 302.378 -0.125 30 20 DBED N#CCN1C[C@H](CNC(=O)c2ccc3nncn3c2)[C@@H](O)C1 958482003 TZSVSIYIAVDQPE-RYUDHWBXSA-N 300.322 -0.725 30 20 DBED CC#CCN1C[C@@H](O)[C@@H](CNC(=O)c2conc2COC)C1 958585093 WGUMXYKFNACORR-SMDDNHRTSA-N 307.350 -0.133 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CN(C(=O)c3cn(C)nn3)CCO2)C1 965375552 VCLNTJXQKHXZKU-SNVBAGLBSA-N 318.337 -0.972 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)C1CS(=O)(=O)C1 966408098 KMIOAGNXPXOMLM-ZWNOBZJWSA-N 324.402 -0.593 30 20 DBED CCc1cc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)no1 969340790 JBPWSNIXEKSDPG-FXAINCCUSA-N 306.322 -0.302 30 20 DBED C#Cc1ccc(C(=O)N[C@@H](C)C2CN([C@@H](C)C(N)=O)C2)nc1 970763018 IJRCXCKOOFZBBL-QWRGUYRKSA-N 300.362 -0.013 30 20 DBED CC#CCN1CCO[C@@]2(CCN(C(=O)[C@@H]3CCN(C)C3=O)C2)C1 972506575 LMUCGDLTAZRPOH-PBHICJAKSA-N 319.405 -0.209 30 20 DBED C[C@]1(C(=O)N2CC[C@]3(CN(CC#N)CCO3)C2)CCC(=O)NC1 972512928 BKOHSGPKDJKJDQ-HOTGVXAUSA-N 320.393 -0.270 30 20 DBED CN1CC[C@H](C(=O)N(C)C[C@H]2CCN2C(=O)C#CC2CC2)C1=O 978217420 WPCKGGGKCLVTMB-KGLIPLIRSA-N 317.389 -0.063 30 20 DBED C#CCN1CCC(C(=O)N[C@H]2CCC[C@H](NCC(N)=O)C2)CC1 981542639 VJNAZOZIGPYIKW-GJZGRUSLSA-N 320.437 -0.166 30 20 DBED N#CCN1CCCC2(C1)CN(C(=O)Cn1ccc(O)nc1=O)C2 981877240 XZDHUPKTXNBZPL-UHFFFAOYSA-N 317.349 -0.603 30 20 DBED C#CCN(C)C1CCN(C(=O)[C@H]2CN(C(C)=O)CCO2)CC1 985775963 LVEUKIPJBMUTGI-OAHLLOKOSA-N 307.394 -0.210 30 20 DBED O=C(N[C@@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1O)c1cnns1 991306367 NLSDVASTYSFJHN-MNOVXSKESA-N 320.374 -0.357 30 20 DBED C[C@@H]1[C@@H](NC(=O)CN2CCCS2(=O)=O)CCCN1CC#N 993411435 HWIAKVRJFVUBHP-NEPJUHHUSA-N 314.411 -0.485 30 20 DBED CC(=O)NCc1cn(C2CN(C(=O)c3cc(C#N)c[nH]3)C2)nn1 994715464 AVDLEOOILZKCPL-UHFFFAOYSA-N 313.321 -0.189 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)[C@H]3CCNC3=O)C2)nc1 997088335 PTSJOGBNSWLQPY-LBPRGKRZSA-N 312.329 -0.860 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)c3cnn(C)n3)C2)cn1 997090374 ODVDZYWPBUIJGX-UHFFFAOYSA-N 310.317 -0.554 30 20 DBED C#CCN[C@@H]1CN(C(=O)Cn2ncnn2)CC[C@@H]1C(F)(F)F 998262650 QLXXZFNAEJBYAM-VHSXEESVSA-N 316.287 -0.325 30 20 DBED C=C1CC(C)(C(=O)NC2CN(C(=O)c3nnc(O)nc3O)C2)C1 999277274 HHPDOPOJVVVCTG-UHFFFAOYSA-N 319.321 -0.420 30 20 DBED C[C@]1(C(=O)NC2CN(C(=O)c3c[nH]c(C#N)c3)C2)CCNC1=O 999791547 FGWAOSNPCYSAFV-HNNXBMFYSA-N 315.333 -0.647 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H]1CCCN1C(=O)CC(N)=O 1002294290 PNKOIFOXJPTMTP-XQQFMLRXSA-N 323.393 -0.098 30 20 DBED CC(=O)N1CC[C@H](C(=O)NCC2CN(C(=O)C#CC3CC3)C2)C1 1003639947 CHIFTDBBJJHTEL-HNNXBMFYSA-N 317.389 -0.157 30 20 DBED N#Cc1ccc(C(=O)N2CCN(C(=O)[C@@H]3COCCO3)CC2)[nH]1 1010412945 XCEBSTLQPNKIGD-ZDUSSCGKSA-N 318.333 -0.414 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C(=O)CCc2cnn(C)n2)CC1 1012333436 ZALLQGHFNDOCQZ-NSHDSACASA-N 304.354 -0.422 30 20 DBED N#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)CN2C(=O)CCC2=O)C1 1021729498 FNAAYBQBJYJUDV-QWHCGFSZSA-N 318.377 -0.028 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(O)nn2)C1 1022983908 AWKBBHAJMZBCBE-GHMZBOCLSA-N 320.349 -0.304 30 20 DBED Cc1cc(CC(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2O)n(C)n1 1024629762 WZRUEUXVMGCWFY-ZWKOPEQDSA-N 319.365 -0.881 30 20 DBED CC1(C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2O)CCOCC1 1024676322 OZHJBUCSSLNBHO-ZIAGYGMSSA-N 320.389 -0.096 30 20 DBED C=C(C)CN1CCCC[C@@H]1CNC(=O)c1cn(CC(N)=O)nn1 1024812708 RNZNEWNEWJESNG-GFCCVEGCSA-N 320.397 -0.076 30 20 DBED CN1CCC[C@@H](N2CC(NC(=O)c3cc(C#N)c[nH]3)C2)C1=O 1030197147 VOBDSARPAXMAJY-CYBMUJFWSA-N 301.350 -0.079 30 20 DBED COc1c(O)nc(O)nc1C(=O)N1C[C@@H]2C[C@H]1CN2CC#N 1032729705 JWDAQWMVMUVQKQ-YUMQZZPRSA-N 305.294 -0.681 30 20 DBED N#Cc1ccc(C(=O)NC[C@@H]2CN([C@H]3CCNC3=O)CCO2)[nH]1 1035342116 JZGZNKBXJWAURH-YPMHNXCESA-N 317.349 -0.795 30 20 DBED C#CCN1CCO[C@H](CNC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1 1035506445 SAWIVJMIYXHYKE-MCIONIFRSA-N 323.393 -0.928 30 20 DBED CNC(=O)c1ccc(C(=O)NC[C@H]2CN(CC#N)CCO2)cn1 1035581471 CDJWAVAZUXREGX-LBPRGKRZSA-N 317.349 -0.605 30 20 DBED C#CCN1CC[C@H]2CN(C(=O)CN3CCCNC3=O)CC[C@@H]21 1036759639 OVSQNICMLKZKPY-KBPBESRZSA-N 304.394 -0.042 30 20 DBED Cn1cc(C(=O)N2CC[C@@H]3[C@@H](CCN3CC#N)C2)n(C)c1=O 1036905408 JQOILANSVUNSNI-NWDGAFQWSA-N 303.366 -0.216 30 20 DBED C#CCCCC(=O)NC[C@]1(O)CCN(C(=O)[C@@]23COC[C@@H]2C3)C1 1039579279 FMBMZSMSQSHVIH-XKQJLSEDSA-N 320.389 -0.094 30 20 DBED C=CCCCC(=O)N1CC[C@](O)(CNC(=O)Cn2nccn2)C1 1039825549 QSEHRKHBKCUKHK-HNNXBMFYSA-N 321.381 -0.286 30 20 DBED NC(=O)CCCC(=O)NC[C@@]1(O)CCN(C(=O)C#CC2CC2)C1 1040210656 FBXAPRQJBYFWKL-INIZCTEOSA-N 321.377 -0.865 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)C2[C@@H]3CCC[C@@H]23)C1 1042039571 CCCILIUUPABCFO-VXGBXAGGSA-N 308.378 -0.075 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)[C@H](C)C2CC2)C1 1042378676 YDQSFUAWZTUZPO-VXGBXAGGSA-N 308.378 -0.240 30 20 DBED Cc1cnn(CC(=O)N2CC(O)(CNC(=O)C#CC(C)C)C2)c1 1042936533 LEPUGBUHOCHQNN-UHFFFAOYSA-N 318.377 -0.460 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)C1CN([C@@H]2CCN(C)C2=O)C1 1042963602 SFOKSYHGXFJODU-LSDHHAIUSA-N 318.421 -0.543 30 20 DBED C=CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)c2cc[nH]c2)C1 1043578223 YVVIFUOHQBWWGQ-LLVKDONJSA-N 307.350 -0.091 30 20 DBED N#Cc1cnc(N2C[C@H](O)[C@H](NC(=O)c3ccns3)C2)cn1 1044227605 ZGFZNDBIPDUTIR-ZJUUUORDSA-N 316.346 -0.216 30 20 DBED CC#CCCCC(=O)N1CC(O)(CNC(=O)[C@@H](C)CC(N)=O)C1 1044427719 QIESLMWGWGDFSN-LBPRGKRZSA-N 323.393 -0.619 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)c2cnn(C)c2N)C1 1044455967 OMCSZESDTHEVDJ-UHFFFAOYSA-N 321.381 -0.482 30 20 DBED C=CCCCC(=O)NCC1(O)CN(C(=O)CS(C)(=O)=O)C1 1045450984 HUAZYMJRLIQASN-UHFFFAOYSA-N 318.395 -0.923 30 20 DBED C#CCN1CC[C@@H](N2CCN(C(=O)CCc3cnn[nH]3)CC2)C1 1046063862 ZYNDLLSMMOKSEB-OAHLLOKOSA-N 316.409 -0.411 30 20 DBED C=C(C)CCC(=O)N1CC(O)(CNC(=O)Cn2cncn2)C1 1046870692 CIFYTJJSQAAZKK-UHFFFAOYSA-N 307.354 -0.676 30 20 DBED NC(=O)NCC(=O)N1C[C@H]2C[C@@H](NC(=O)C#CC3CC3)C[C@H]1C2 1047518795 OLNLMTSMRTUNAW-YNEHKIRRSA-N 318.377 -0.436 30 20 DBED C#Cc1cncc(C(=O)N(C)[C@H]2CN(C[C@H](C)O)C[C@@H]2O)c1 1047521037 JVFRCJDSRGATCG-CQDKDKBSSA-N 303.362 -0.439 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CCCCN2C(C)=O)C1 1047557763 LINSSMXHOBORSY-PMPSAXMXSA-N 321.421 -0.086 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(=O)n(CC)n2)C1 1047570187 WKKYZKAIFOXUDQ-KBPBESRZSA-N 318.377 -0.596 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CN([C@H]3CCC(=O)NC3=O)C[C@@H]2C1 1048728065 SLRPRPQFORHKCJ-YFKTTZPYSA-N 304.350 -0.659 30 20 DBED CC(C)C#CC(=O)N(C)[C@H]1CN(C(=O)c2cccnn2)C[C@@H]1O 1048811320 UXKALJXPKZLLNE-KBPBESRZSA-N 316.361 -0.220 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCCC(N)=O)C1 1049035363 QNFDRPZLNMBALW-STQMWFEESA-N 323.393 -0.524 30 20 DBED C[C@H]1C[C@@H]1C(=O)N(C)[C@H]1CN(C(=O)CSCC#N)C[C@@H]1O 1049216239 IAILGPJDSRAIIP-BJDJZHNGSA-N 311.407 -0.071 30 20 DBED C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)CN1CCOCC1=O 1049522402 PRJSYLVYRUKJRT-UONOGXRCSA-N 305.378 -0.456 30 20 DBED C#CCCN1CCN([C@@H]2CCN(C(=O)C(C)(C)C(N)=O)C2)CC1 1052042147 ZCVQVAPYOOYBEB-CQSZACIVSA-N 320.437 -0.260 30 20 DBED C#CCN1CC2(C1)CN(C(=O)CCc1nccn1C)CCO2 1053353833 BUXDIQIKMAGTCM-UHFFFAOYSA-N 302.378 -0.101 30 20 DBED C=CC(C)(C)C(=O)N1CCOC2(CN(Cc3nnnn3C)C2)C1 1053374772 MVWOXVRCXXNVEB-UHFFFAOYSA-N 320.397 -0.165 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)c3cnn(C)c3N)CO2)C1 1053784159 HRMBZOQETNAUSW-LLVKDONJSA-N 303.366 -0.401 30 20 DBED CCN1CCOC[C@H]1C(=O)N[C@H]1COC2(C1)CN(CC#N)C2 1053854097 RYSQVSDCBHPOMS-OLZOCXBDSA-N 308.382 -0.810 30 20 DBED C=CCN1CC2(C[C@@H](NC(=O)[C@H]3CCS(=O)(=O)C3)CO2)C1 1053865057 QBAJUDXBNSMZPG-NWDGAFQWSA-N 314.407 -0.433 30 20 DBED C=C[C@@](C)(O)CC(=O)N1C[C@H]2CN(C(=O)c3cnon3)C[C@H]2C1 1055313535 UUSZFFJOKKMQLA-JRPNMDOOSA-N 320.349 -0.073 30 20 DBED C[C@@H](C#N)C(=O)NCCN1CCC(NC(=O)c2nc[nH]n2)CC1 1055631654 JQYBCRUZYULSIM-JTQLQIEISA-N 319.369 -0.725 30 20 DBED C=CCOCC(=O)N1CCC[C@@](CO)(NC(=O)CCOC)C1 1055661522 KIIXAGGDWHBZHG-OAHLLOKOSA-N 314.382 -0.305 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC[C@](CO)(NC(=O)COC)C1 1055705762 SEKVUEZEKXBHET-WFASDCNBSA-N 312.366 -0.859 30 20 DBED N#Cc1ccc(N2CCN(C(=O)[C@@H]3COC(=O)N3)CC2)nn1 1055785127 AAVOBRRTVJWCDU-JTQLQIEISA-N 302.294 -0.895 30 20 DBED C#CCCCC(=O)N1CCC[C@](CO)(NC(=O)c2nc[nH]n2)C1 1056045821 RHXTXFYSYDMKCV-HNNXBMFYSA-N 319.365 -0.309 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCC[C@H]2[C@@H]1CCN2C(=O)C(N)=O 1056379649 KYLHBWKQCYVASG-PGUXBMHVSA-N 309.366 -0.609 30 20 DBED CN(c1ccnc(C#N)n1)[C@@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 1056998085 OVUMBRCWPVBLHY-GHMZBOCLSA-N 314.349 -0.479 30 20 DBED Cc1ccn(CC(=O)NCCN(CCO)C(=O)C#CC(C)C)n1 1057524733 PCIHYEBLXOWYSF-UHFFFAOYSA-N 320.393 -0.212 30 20 DBED Cc1cc(C(=O)NCCN(CCO)C(=O)C#CC2CC2)on1 1057531394 MHHHELDZQIWTHW-UHFFFAOYSA-N 305.334 -0.053 30 20 DBED CCOc1nc(C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N)co1 1058149499 ACWYMINTVUGVCM-JTQLQIEISA-N 324.337 -0.216 30 20 DBED CN1CCO[C@H](C(=O)N[C@H]2CCN(c3ccnc(C#N)n3)C2)C1 1058317336 UNYAISMDZBGPHE-RYUDHWBXSA-N 316.365 -0.626 30 20 DBED N#Cc1nccnc1N[C@H]1C[C@@H](NC(=O)[C@@H]2CCNC2=O)C1 1059781827 NDPGDDBPZNWYDV-KXUCPTDWSA-N 300.322 -0.457 30 20 DBED C[C@@H](C#N)C(=O)NCC[C@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1 1060252349 DTNBCGHHIKERJK-QWRGUYRKSA-N 317.349 -0.102 30 20 DBED C=CCCC(=O)N1CCOC[C@@H]1CNC(=O)CNC(=O)OC 1061349107 ANXIAHGFKVVPCV-NSHDSACASA-N 313.354 -0.348 30 20 DBED CO[C@@H](C)C(=O)NC[C@@H]1COCCN1C(=O)CSCC#N 1061362772 KZDQIFWEPAZCRX-WDEREUQCSA-N 315.395 -0.378 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1COCCN1C(=O)[C@H]1CCNC1=O 1061568700 OJKVKXAOYQRQNR-OLZOCXBDSA-N 321.377 -0.875 30 20 DBED C#CCOCCC(=O)NC[C@H]1COCCN1C(=O)C(F)F 1061581039 JXSSBESWLOFIKN-JTQLQIEISA-N 304.293 -0.365 30 20 DBED C=C(C)CCC(=O)N1CCOC[C@@H]1CNC(=O)Cn1nccn1 1061620110 ZPWIBGBTZYDECK-ZDUSSCGKSA-N 321.381 -0.022 30 20 DBED CN(C(=O)[C@H]1CCNC1=O)[C@H]1CCN(c2ccc(C#N)nn2)C1 1063004925 RYJMJCDRRKAUFW-RYUDHWBXSA-N 314.349 -0.479 30 20 DBED N#Cc1ccc(N2CCO[C@H](CNC(=O)c3ccon3)C2)nn1 1063615975 IXHFNDTUBXETPQ-LLVKDONJSA-N 314.305 -0.029 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@H]1CN(C(=O)COCC)CCO1 1064808973 VKZVEENVVYUJDQ-SWLSCSKDSA-N 314.382 -0.306 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)[C@H]2CCC(=O)N2)CCO1 1064974316 QKHZGFHEFRDGKE-NWDGAFQWSA-N 309.366 -0.425 30 20 DBED C=CCOCC(=O)N1CCO[C@@H](CNC(=O)C[C@@H](C)OC)C1 1064975710 BNHUSKFIVFUDAW-OLZOCXBDSA-N 314.382 -0.042 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CN(C(=O)C2(N(C)C)CCC2)CCO1 1065259695 CXIQLTZFGRBMNB-OLZOCXBDSA-N 322.409 -0.026 30 20 DBED C[C@]1(NC(=O)[C@@H]2CCC(=O)N2)CCN(c2cnc(C#N)cn2)C1 1065269088 LFJGWFXPBXMFKP-NHYWBVRUSA-N 314.349 -0.288 30 20 DBED C[C@H]1CN(C(=O)Cn2cncn2)C[C@@H]1Nc1nccnc1C#N 1067098143 CXJRXPAKDBVKFD-JQWIXIFHSA-N 312.337 -0.101 30 20 DBED C[C@H](C#N)C(=O)N(C)CCCN(C)C(=O)[C@@H]1COCCN1C 1067233411 LKFZLITZLYSFFL-OLZOCXBDSA-N 310.398 -0.216 30 20 DBED N#Cc1cccnc1N1C[C@H](O)[C@H](CNC(=O)c2ccncn2)C1 1067675858 IQHIXTMHAYKZPT-OCCSQVGLSA-N 324.344 -0.030 30 20 DBED C[C@H](Nc1ccc(C#N)cn1)[C@@H]1CN(C(=O)CC(N)=O)CCO1 1068226895 CGQUJQBBTHAISZ-JQWIXIFHSA-N 317.349 -0.144 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H]1C[C@H](NC(=O)[C@@H]2CCC(=O)N2)C1 1068508510 XZDTXNMCGWPBHH-JKOKRWQUSA-N 313.361 -0.040 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCC[C@]2(CCN(C(=O)C(N)=O)C2)C1 1069759979 LHXMJJXPOBDBOM-LRDDRELGSA-N 323.393 -0.096 30 20 DBED COC(=O)[C@H]1C[C@@H]1C(=O)NCc1cnn2c1CN(CC#N)CC2 1069854455 JMNIQQLBJHBYSH-RYUDHWBXSA-N 317.349 -0.352 30 20 DBED Cn1nccc1C(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1 1069902413 VVFPHKSLVIVNQF-PWSUYJOCSA-N 300.326 -0.810 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@@H]1n1ccnn1 1070277193 IEGKFXRRFRODGR-RDBSUJKOSA-N 304.398 -0.407 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2C[C@@H]3CN(CC(=O)N(C)C)C[C@]2(C1)O3 1070772286 GWRXRDQINMWHBS-VPWBDBDCSA-N 320.393 -0.464 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)Cc2cnn(C)c2)CC1 1070944859 NNQORAWOUPRPBJ-UHFFFAOYSA-N 319.409 -0.201 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)[C@H](C)n2cncn2)CC1 1070957724 SHCWBNYXPGRCON-ZDUSSCGKSA-N 320.397 -0.324 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)c2conc2C)CC1 1070994895 IOTFDKBYNLAHEY-UHFFFAOYSA-N 304.350 -0.120 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CCCN(C(=O)[C@@H]2CNC(=O)N2)C1 1071208133 XAIQKGAYYLDZKS-NEPJUHHUSA-N 304.350 -0.812 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2CN(CC#N)CCCO2)nn1 1073807681 WJKVDZLGARWQET-LBPRGKRZSA-N 304.354 -0.192 30 20 DBED N#CCN1CCO[C@H]2CCN(C(=O)c3nccnc3N)C[C@@H]21 1074195561 WPXXWWFPCKYXGV-QWRGUYRKSA-N 302.338 -0.502 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)c1cc[nH]n1 1076218170 YXGFHNCZCMRZCM-JTQLQIEISA-N 305.338 -0.826 30 20 DBED CC#CCN1C[C@@H]2CCN(C(=O)[C@H]3CCS(=O)(=O)N3)[C@@H]2C1 1076582504 ZGQYTOBUIWNFQR-YNEHKIRRSA-N 311.407 -0.766 30 20 DBED C=CCCC(=O)N[C@@H](C)CCNC(=O)Cn1ccc(O)nc1=O 1077236260 JOMKYIITENVWJK-NSHDSACASA-N 322.365 -0.074 30 20 DBED C=C[C@](C)(O)CC(=O)N(CC)C1CN(C(=O)Cn2ncnn2)C1 1079686483 FGIGHOOGESVVEI-AWEZNQCLSA-N 322.369 -0.941 30 20 DBED CCN(C(=O)C#CC(C)C)C1CN(C(=O)Cn2cncn2)C1 1079731059 DAIHWUKCTNJWST-UHFFFAOYSA-N 303.366 -0.003 30 20 DBED C=C(C)CCN1C[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@H](C)C1 1079731987 RZXJEUQLQDMFJC-VXGBXAGGSA-N 320.397 -0.220 30 20 DBED C=CCN1C[C@@H](NC(=O)CN2CCCS2(=O)=O)[C@H](C)C1 1079807650 IZNUNCXODHGCOZ-VXGBXAGGSA-N 301.412 -0.356 30 20 DBED C=C(Cl)CN1C[C@@H](NC(=O)Cn2ncn(C)c2=O)[C@H](C)C1 1080000992 CVSIGMVEHVBTQR-MWLCHTKSSA-N 313.789 -0.229 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@H]2CCc3nnnn3CC2)[C@H](C)C1 1080478445 WUMJHFRTTIGBJF-FRRDWIJNSA-N 302.382 -0.305 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@H](CNC(=O)C(C)(C)F)C1 1081170367 YASTUTBXQMOBTR-GHMZBOCLSA-N 302.346 -0.127 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2ocnc2C)C1 1081373259 FSEILSQDSVWVFI-NEPJUHHUSA-N 323.349 -0.265 30 20 DBED C=C(C)CCC(=O)N1C[C@H](O)[C@H](CNC(=O)CC(=O)NC)C1 1081433112 GMVXEVNNLMKZQR-NEPJUHHUSA-N 311.382 -0.586 30 20 DBED C=CCCOCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2ncc[nH]2)C1 1081455663 PWCBPTTYCJIMMH-VXGBXAGGSA-N 322.365 -0.449 30 20 DBED C#CCOCCC(=O)NC[C@H]1CN(C(=O)C2(C)CC2)C[C@@H]1O 1081489608 WYXPNEVWTAQEBE-STQMWFEESA-N 308.378 -0.238 30 20 DBED C#CCCN1C[C@@H](NC(=O)C[C@@H]2CCCC(=O)N2)[C@H](OC)C1 1081924911 VIFYXZBSZGDVLT-BFHYXJOUSA-N 307.394 -0.116 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)CN1CCCCCC1=O 1082359930 BAROZDQIBLVHSG-CHWSQXEVSA-N 308.382 -0.272 30 20 DBED C=CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)Cn1ccccc1=O 1083270697 UHRIFGDJSJLPHC-UONOGXRCSA-N 303.362 -0.054 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)Cc2ccccc2NC(C)=O)C1 1083872178 SDFCWJVVRYAEHM-CVEARBPZSA-N 315.373 -0.018 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCCN2C(=O)CCC)C1 1084084818 BWRKSGCZEQDHFX-RDBSUJKOSA-N 307.394 -0.428 30 20 DBED N#CCN1CC[C@@H]2CN(C(=O)[C@@H]3CCCS(=O)(=O)C3)[C@@H]2C1 1084696796 IKLLLYMEWXIAFF-JHJVBQTASA-N 311.407 -0.133 30 20 DBED C#CCN1CC[C@@H]2CCN(C(=O)[C@H]3CCS(=O)(=O)C3)C[C@@H]21 1084983842 QGTVMIHFBYMGTB-RDBSUJKOSA-N 310.419 -0.023 30 20 DBED C=CCN1CC[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)[C@H]1C 1088979149 XHBBZUIGWDJTSW-ZJUUUORDSA-N 302.338 -0.204 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)C2CS(=O)(=O)C2)[C@@H](O)C1 1090292685 PEOSFIHBESGUBC-NEPJUHHUSA-N 302.396 -0.842 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2cnc3n2CCOC3)[C@@H](O)C1 1090337427 RDYZMJVUVNFXOP-JSGCOSHPSA-N 318.377 -0.398 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cn3c(n2)COCC3)[C@H](O)C1 1090360024 IOFLNBLHUPUURA-WCQYABFASA-N 304.350 -0.789 30 20 DBED C=CCCN1CC[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)[C@H](O)C1 1090794428 PUSADDUIPRCLEH-VXGBXAGGSA-N 324.381 -0.992 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@@H]1O 1091082069 WKNWPSIPBGLZMB-NEPJUHHUSA-N 303.322 -0.783 30 20 DBED C[C@]1(CNC(=O)CC(N)=O)CN(c2ccncc2C#N)CCO1 1092734984 DBTGBNOKGJFMJO-HNNXBMFYSA-N 317.349 -0.460 30 20 DBED Cc1nc(O)[nH]c1C(=O)NCc1cn(C2CN(CC#N)C2)nn1 1094298623 UQDHIXSVHPMEDT-UHFFFAOYSA-N 316.325 -0.675 30 20 DBED Cn1ncc(C(=O)NCCCNc2nccnc2C#N)c1N 1094375001 MXFXLSQSULYGHW-UHFFFAOYSA-N 300.326 -0.104 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)C[C@@H]3CCC(=O)N3)CC2=O)C1 1094795636 UXPAVRXFDXZSTA-RYUDHWBXSA-N 320.393 -0.758 30 20 DBED CN(C)C(=O)CC(=O)N1CCCN(c2ccnc(C#N)n2)CC1 1095207705 URUSYATWCDSBFA-UHFFFAOYSA-N 316.365 -0.135 30 20 DBED C[C@H](NC(N)=O)C(=O)N[C@@H]1CCCN(c2nccnc2C#N)C1 1096162816 RCZGFPVDKJHMQI-VHSXEESVSA-N 317.353 -0.510 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CCN(c2nc(C)ncc2C)C1 1096360709 PMKBPOKCWGSDDP-ZDUSSCGKSA-N 315.377 -0.072 30 20 DBED CNC(=O)C1(C(=O)N2CC[C@H](Nc3cnc(C#N)cn3)C2)CC1 1096947551 ZXSHGSLGWXKRSZ-JTQLQIEISA-N 314.349 -0.113 30 20 DBED N#Cc1cnc(N2CCC[C@H](CNC(=O)CC(N)=O)C2)cn1 1097288872 BIKOWLPDTBWABV-SNVBAGLBSA-N 302.338 -0.444 30 20 DBED CC#CCN(CCO)C1CCN(C(=O)C[C@@H](C)NC(N)=O)CC1 1098368658 FZUQWAOEMXDJTE-CYBMUJFWSA-N 324.425 -0.258 30 20 DBED C[C@@H](CNC(=O)[C@@H](C)S(C)(=O)=O)N=c1cc[nH]cc1C#N 1098393132 QKKPDPITAMTSSV-VHSXEESVSA-N 310.379 -0.275 30 20 DBED N#Cc1cnc(NC[C@H]2CCN(C(=O)CNC(N)=O)C2)cn1 1098501084 QZGPTKBLTLVQJB-SECBINFHSA-N 303.326 -0.723 30 20 DBED COC(=O)NCC(=O)N1CC[C@@H](CNc2nccnc2C#N)C1 1098502457 AJAVDHAPFHVMRE-JTQLQIEISA-N 318.337 -0.035 30 20 DBED CCNC(=O)CC(=O)N1CC[C@@H](CN=c2cc[nH]c(C#N)n2)C1 1098522410 YLVLJEXGZPFCNG-NSHDSACASA-N 316.365 -0.443 30 20 DBED N#Cc1ccc(N[C@@H]2CCC[C@@H](NC(=O)CNC(N)=O)C2)nn1 1098590995 XPBDTOYSLQRYMP-NXEZZACHSA-N 317.353 -0.144 30 20 DBED COC[C@@H](OC)C(=O)NCC[C@@H](C)N=c1cc[nH]c(C#N)n1 1099677170 PVRXWASCFPNFBA-GHMZBOCLSA-N 307.354 -0.262 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2cc(C)n(C)n2)[C@H](O)C1 1099704832 RHIACSMQEOAUDS-UKRRQHHQSA-N 320.393 -0.457 30 20 DBED C#CCCCC(=O)N[C@@H]1CCN(Cc2cn(C)nn2)C[C@@H]1O 1099804957 VCRCWPKUPYAHFD-KGLIPLIRSA-N 305.382 -0.330 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CNC(=O)c2ccoc2)[C@H](O)C1 1099845357 VZAWXVZAPSNFRH-ZIAGYGMSSA-N 319.361 -0.416 30 20 DBED COCC#CCN1CC[C@H](NC(=O)COCC(F)F)[C@@H](O)C1 1099935001 HNCDIJSCAOIGHD-RYUDHWBXSA-N 320.336 -0.531 30 20 DBED CN(CCNC(=O)C(=O)NCC(F)F)c1ncccc1C#N 1100223825 OKETVPLGRUYHMY-UHFFFAOYSA-N 311.292 -0.113 30 20 DBED C#CCNC(=O)CC(=O)NCC1CC(NCCC[C@H](C)O)C1 1100262633 ATUWFZCRPZVNQW-HSBZDZAISA-N 309.410 -0.229 30 20 DBED C#CCNC1CC(CNC(=O)C2(n3cnnn3)CCOCC2)C1 1100747479 NJEYZBXJPHZAQI-UHFFFAOYSA-N 318.381 -0.704 30 20 DBED N#Cc1cncc(N(CCNC(=O)Cn2cnnn2)C2CC2)n1 1101280933 FOAQLPHUJJFWTG-UHFFFAOYSA-N 313.325 -0.880 30 20 DBED CC[C@@H](CNC(=O)CNC(=O)C1CC1)N=c1cc[nH]c(C#N)n1 1102995772 HWMMGPIGOZWFMW-NSHDSACASA-N 316.365 -0.397 30 20 DBED CC[C@H](CNC(=O)[C@@H]1COC(=O)N1)Nc1ccc(C#N)nn1 1103053435 UNRMVZTXYYOJOH-SCZZXKLOSA-N 304.310 -0.237 30 20 DBED CC[C@H](CNC(=O)c1nnn(C)n1)N=c1cc[nH]cc1C#N 1103275952 SZBUJTSPRDMKOI-SNVBAGLBSA-N 300.326 -0.481 30 20 DBED C[C@@H](CNC(=O)CNC(N)=O)CNc1ncc(C#N)cc1F 1103870062 QLTHKVXQTDQEHC-QMMMGPOBSA-N 308.317 -0.075 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)[C@@H]1CCN(C)C1 1103973675 JPDXZSACHHFNAG-VXGBXAGGSA-N 302.382 -0.114 30 20 DBED C[C@@H](CN=c1cc[nH]cc1C#N)CNC(=O)[C@H]1CN(C)C(=O)N1 1104177613 ZZOJMNYWRLOMRP-GXFFZTMASA-N 316.365 -0.437 30 20 DBED CCC(=O)N[C@H](C)C(=O)N(C)[C@@H](C)CN=c1cc[nH]c(C#N)n1 1104852781 KILWSYGNNYPPEX-WDEREUQCSA-N 318.381 -0.056 30 20 DBED CNC(=O)CC(=O)N1CC[C@@H](N=c2cc[nH]c(C#N)n2)[C@H](C)C1 1105041477 UFLGWNGVWXYYLF-GHMZBOCLSA-N 316.365 -0.445 30 20 DBED C#CCNCc1cn(C2CN(C(=O)CCn3cncn3)C2)nn1 1105162261 KOHSEDSISJQCGP-UHFFFAOYSA-N 314.353 -0.934 30 20 DBED CN(CCN(C)c1ccc(C#N)nn1)C(=O)CCn1cnnn1 1105445874 ANCRSKPJCVMYKM-UHFFFAOYSA-N 315.341 -0.680 30 20 DBED CN(CCN(C)c1ccncc1C#N)C(=O)Cn1ncnn1 1105473054 OSCJAIXIXLBFBD-UHFFFAOYSA-N 300.326 -0.465 30 20 DBED CN1CC[C@H](C(=O)NC[C@@H](O)CNc2cncc(C#N)n2)C1 1105853686 PUXMENMBDPGKOH-JQWIXIFHSA-N 304.354 -0.811 30 20 DBED Cc1nsc(NC[C@H](O)CNC(=O)[C@@H]2CCC(=O)N2)c1C#N 1105921733 HJWQGYJTLALBGW-SCZZXKLOSA-N 323.378 -0.509 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)Cc2cc[nH]n2)C[C@H]1C 1105969903 RZDLMSMTUXLURE-CHWSQXEVSA-N 317.393 -0.614 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)[C@H]2CCCNC2=O)cn1 1105998890 ICRVUCAGTIVUHZ-STQMWFEESA-N 317.349 -0.632 30 20 DBED Cc1nn[nH]c1C(=O)NC[C@@H](O)CNc1ncc(C#N)cc1F 1106035655 JTBDUBOSFHCDOU-VIFPVBQESA-N 319.300 -0.278 30 20 DBED C#CCNC[C@@H]1CN(C(=O)[C@H](C)N2C(=O)CCC2=O)C[C@H]1C 1106207162 OWDYNUKOUTZVKH-FRRDWIJNSA-N 305.378 -0.159 30 20 DBED CC(=O)N1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H](CNCC#N)C2)C1 1106935144 HDMSEQLKSVJTDT-MRVWCRGKSA-N 308.382 -0.559 30 20 DBED C#CCNC[C@@H]1CN(C(=O)CC[C@@H]2NC(=O)NC2=O)C[C@H]1C 1106962865 XTRPUFNZBVNCHE-UTUOFQBUSA-N 306.366 -0.708 30 20 DBED N#CCN1CC(n2cc(CNC(=O)Cc3ccon3)nn2)C1 1107150322 JDJIIMVQOCBCCD-UHFFFAOYSA-N 301.310 -0.495 30 20 DBED Cc1cc(CC(=O)NCc2cn(C3CN(CC#N)C3)nn2)n[nH]1 1107158978 IBYQIFBUVWKLOQ-UHFFFAOYSA-N 314.353 -0.451 30 20 DBED CN1C[C@@H](C(=O)NC/C=C\CNc2nccnc2C#N)CC1=O 1107568773 OUEWHRMBJZFGSS-QUCGXOGASA-N 314.349 -0.089 30 20 DBED CN1C[C@@H](C(=O)NC/C=C/CNc2nccnc2C#N)CC1=O 1107568774 OUEWHRMBJZFGSS-VUDBWIFFSA-N 314.349 -0.089 30 20 DBED C[C@H](CNc1nccnc1C#N)NC(=O)CCn1cncn1 1107648088 KHIMSHQGDFEUHX-SNVBAGLBSA-N 300.326 -0.053 30 20 DBED CC#CCN1CCO[C@](C)(CNC(=O)CN2CCCC2=O)C1 1107729027 CYQGBQNGMBRARR-MRXNPFEDSA-N 307.394 -0.161 30 20 DBED C#CCCN1CCO[C@](C)(CNC(=O)c2nccnc2N)C1 1107827744 ZDGZVWKMGHUSKJ-OAHLLOKOSA-N 303.366 -0.097 30 20 DBED C[C@@]1(CNC(=O)CCS(C)(=O)=O)CN(CC#N)CCO1 1108027034 LBGFXYAOPJZHDQ-GFCCVEGCSA-N 303.384 -0.848 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)CO[C@H](C)CC)CC2=O)C1 1108532364 GEJJYQRFSNOKMS-CHWSQXEVSA-N 307.394 -0.164 30 20 DBED COC(=O)NCC(=O)N[C@H](C)CN(C)c1cncc(C#N)n1 1108832736 UTSCILWTCREYDJ-SECBINFHSA-N 306.326 -0.355 30 20 DBED C[C@H](CN(C)c1ncc(C#N)cc1F)NC(=O)c1nnn(C)n1 1109181215 CZWPGWXAYKJJST-MRVPVSSYSA-N 318.316 -0.129 30 20 DBED Cc1cc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)CNC(N)=O)c(C#N)cn1 1109679867 PCSFOECIXLJXMH-LQJRIPTKSA-N 314.349 -0.377 30 20 DBED N#Cc1cnccc1N1C[C@H]2C[C@H]1[C@H]2NC(=O)C1(C(N)=O)CC1 1109740093 KXXDGXLUAJLORJ-ICCXJUOJSA-N 311.345 -0.088 30 20 DBED C=CCCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CS(=O)(=O)NC 1110112861 SDWRXFFHMLDJSV-WOPDTQHZSA-N 301.412 -0.167 30 20 DBED C#CCNC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cc[nH]n1 1110306821 ZQZSJQCGNKVPDB-UNJBNNCHSA-N 315.377 -0.117 30 20 DBED Cc1nc(NC2(CNC(=O)C(N)=O)CCOCC2)ccc1C#N 1110999746 GEOPPVZCHKPBOI-UHFFFAOYSA-N 317.349 -0.176 30 20 DBED CSCC(=O)N(C)[C@H]1CN(c2nccnc2C#N)C[C@@H]1O 1111168753 KYAVMIKAUHVSBJ-QWRGUYRKSA-N 307.379 -0.281 30 20 DBED N#Cc1cccnc1NCC1(NC(=O)CC(N)=O)CCOCC1 1112245390 QNFMPDRVTVLJOL-UHFFFAOYSA-N 317.349 -0.094 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)CCc2nc[nH]n2)CC1 1112757851 XRYMYSQEXQHPGW-UHFFFAOYSA-N 306.370 -0.816 30 20 DBED CNC(=O)NC(=O)[C@H](C)N1CCN(C(=O)C#CC2CC2)CC1 1112832430 WQKAEFBCMVQOBU-NSHDSACASA-N 306.366 -0.612 30 20 DBED C[C@H](Nc1ccc(C#N)nn1)[C@@H](C)NC(=O)c1nnn(C)n1 1113258141 AJEGUDXAWXLUNA-JGVFFNPUSA-N 301.314 -0.509 30 20 DBED COC[C@@H](OC)C(=O)NC[C@@H](C)N(C)c1ccc(C#N)nn1 1113858360 VAJMUEDUJKLSPE-ZYHUDNBSSA-N 307.354 -0.049 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3cc(F)c[nH]3)[C@H]2C1 1114582313 WHVYKNASKXFTJK-QWRGUYRKSA-N 304.325 -0.437 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)Cc3cncn3C)[C@@H]2C1 1115121197 MRJVULJTFJPNPH-ZIAGYGMSSA-N 302.378 -0.341 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)Cn3ccnc3C)[C@@H]2C1 1115243503 OWRJXWBNTXUASK-ZIAGYGMSSA-N 302.378 -0.112 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)NC1[C@@H]2CN(CCOC)C[C@@H]12 1115301716 FPBKRGDJGLKMOG-VXGBXAGGSA-N 324.425 -0.057 30 20 DBED C=CCCOCC(=O)NC1[C@@H]2CN(Cc3nnn(C)n3)C[C@@H]12 1115324339 PAYBWJQLNYXEIX-GHMZBOCLSA-N 306.370 -0.651 30 20 DBED C[C@@H](CN(C)C(=O)Cn1cnnn1)N=c1cc[nH]cc1C#N 1115602210 FXQOMJBADKNBOD-JTQLQIEISA-N 300.326 -0.679 30 20 DBED Cc1nccn1C[C@@H](C)CNC(=O)C(=O)N1CCO[C@@H](C#N)C1 1117075396 GGPDUDCKVMTENG-AAEUAGOBSA-N 319.365 -0.305 30 20 DBED CC(C)(C)n1nccc1NC(=O)C(=O)NCC(=O)NCC#N 1117416314 PKQKJSGALIOHRK-UHFFFAOYSA-N 306.326 -0.667 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N[C@@H]1CC(=O)N(C(C)C)C1 1118609726 QIJUYPXWOSMYIP-CYBMUJFWSA-N 323.393 -0.390 30 20 DBED CC[C@H](C)OCC(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1 1121316951 FPLGLRYPQUAABZ-WDEREUQCSA-N 307.354 -0.526 30 20 DBED N#Cc1cnc(N[C@@H](CO)CNC(=O)c2nc[nH]n2)c(Cl)c1 1121892430 ADJFMAYLCFASGQ-MRVPVSSYSA-N 321.728 -0.072 30 20 DBED Cc1ccc(C#N)c(N[C@H](CO)CNC(=O)Cc2nc[nH]n2)n1 1121994874 SKYOJSCZQQEDPR-NSHDSACASA-N 315.337 -0.489 30 20 DBED COCCCOCC(=O)NC[C@@H](CO)Nc1ccc(C#N)nn1 1122052239 GUOMMHBHJAQEOZ-LBPRGKRZSA-N 323.353 -0.710 30 20 DBED CCc1oncc1C(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1 1122630059 RYQIHIKBWRIXFN-VIFPVBQESA-N 316.321 -0.477 30 20 DBED CC(=O)NCC(=O)N1CC[C@H](Nc2nccnc2C#N)[C@H]1C 1122904347 RXENPRAETPDQCW-KOLCDFICSA-N 302.338 -0.114 30 20 DBED CN(C[C@H](O)CNc1ccc(C#N)nc1)C(=O)[C@H]1C[C@H]1C(N)=O 1124768957 AVIPAGJGIUQQTI-UPJWGTAASA-N 317.349 -0.694 30 20 DBED CN(C[C@@H](O)CN(C)c1cccc(F)c1C#N)C(=O)C(N)=O 1125247250 MABBSKHKQIJANU-VIFPVBQESA-N 308.313 -0.562 30 20 DBED CC(C)n1nnnc1CNCCNC(=O)c1cc(C#N)c[nH]1 1125391294 XOFJJWCSPAIYOK-UHFFFAOYSA-N 302.342 -0.027 30 20 DBED CCCc1onc(C)c1C(=O)NCCNCC(=O)NCC#N 1127111926 HPZOVLTXCHKKOR-UHFFFAOYSA-N 307.354 -0.105 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1ccn(C(C)(C)C)n1 1128579686 XXXDJJGIKSMYEQ-UHFFFAOYSA-N 305.382 -0.293 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)C(C)C)C[C@@H]1n1ccnn1 1129589206 CQILHULYBKCLOU-KGLIPLIRSA-N 305.382 -0.075 30 20 DBED CCOCCCC(=O)N1C[C@H](n2ccnn2)[C@H](NCC#N)C1 1129624735 QQDOGZYIYQVKBS-OLZOCXBDSA-N 306.370 -0.040 30 20 DBED C#CCN[C@@H]1CN(C(=O)C2(CN(C)C)CC2)C[C@@H]1n1ccnn1 1129983384 ZZDLEOWBHCTHNL-KGLIPLIRSA-N 316.409 -0.405 30 20 DBED C#CCN1C[C@@H](OC)C[C@H]1c1n[nH]c(CNC(=O)[C@@H](C)OC)n1 1130253531 BEWWQYOHHQMALQ-WOPDTQHZSA-N 321.381 -0.149 30 20 DBED C=C(Cl)CNCCNC(=O)c1ccc(S(N)(=O)=O)o1 1130803004 VFAYEAKLWGJEPZ-UHFFFAOYSA-N 307.759 -0.001 30 20 DBED CNC(=O)C1(C(=O)N2C[C@H](C)O[C@@]3(CCN(CC#N)C3)C2)CC1 1131688815 RWBJNVYOAZQDDY-SWLSCSKDSA-N 320.393 -0.272 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)c1cn(C)cn1 1134105195 RAKUKGGUPGYZJI-NEPJUHHUSA-N 305.382 -0.344 30 20 DBED COCC#CCN[C@H](C)C[C@H](C)NC(=O)c1ccc(=O)n(C)n1 1136119190 QETVZQKYKZCYTE-OLZOCXBDSA-N 320.393 -0.083 30 20 DBED C=C(C)CN[C@@H](C)C[C@@H](C)NC(=O)c1cn(CC(N)=O)nn1 1146582399 HAYQQIGBNJXQJR-WDEREUQCSA-N 308.386 -0.174 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)CCCC(N)=O)NCC(=O)NCC#N 1146798119 OKCLAKHZZVLKQJ-WDEREUQCSA-N 311.386 -0.845 30 20 DBED Cc1nc(C(=O)N2CC3(CCN(CC(=O)NCC#N)C3)C2)co1 1147403100 FFZAUDUFXNZFTI-UHFFFAOYSA-N 317.349 -0.229 30 20 DBED CNC(=O)[C@H](C)N1CCCO[C@H](CNC(=O)C#CC(C)C)C1 1149715391 SJYRIHOECCHXLS-UONOGXRCSA-N 309.410 -0.013 30 20 DBED C=CCN1CCCO[C@@H](CNC(=O)C(=O)NCC(F)F)C1 1149931253 ZALHVAQGJZXVAT-JTQLQIEISA-N 305.325 -0.239 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)CCc2cnn(C)c2)C1=O 1152208834 UCHFDKRAYJRZIG-CQSZACIVSA-N 319.409 -0.155 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)C[C@@H]1CCC(=O)N1 1155782100 ATOBJPVKJRULGU-NEPJUHHUSA-N 323.397 -0.879 30 20 DBED C#CCC1(C(=O)NCCCNCCNS(C)(=O)=O)CCC1 1159658516 KXJBHGZYRZAVCW-UHFFFAOYSA-N 315.439 -0.175 30 20 DBED CCC[C@@H](C(=O)NCCC1(CNCC#N)CC1)S(N)(=O)=O 1166380923 RCACAYLOSSIJSM-NSHDSACASA-N 316.427 -0.157 30 20 DBED C=CCNCC1(CCNC(=O)CN2CCC(=O)NC2=O)CC1 1167657100 SKTWKBWCGRMQSL-UHFFFAOYSA-N 308.382 -0.010 30 20 DBED COCC#CCNCCCNC(=O)[C@@H]1CCc2nncn2C1 1176856083 HQJZCQKUIBPEKJ-CYBMUJFWSA-N 305.382 -0.414 30 20 DBED COc1cc(C(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)ccn1 1183869514 URTMFLLMXSKBRO-GFCCVEGCSA-N 317.349 -0.466 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)c2cc(OC)n(C)n2)C1 1184118108 ZUDXAZSSEZSUOR-LLVKDONJSA-N 321.381 -0.465 30 20 DBED C#CCCN[C@@H]1CCN(C(=O)CN2C(=O)NC(=O)C2(C)C)C1 1186790762 NYWLSPSJQBAHKS-LLVKDONJSA-N 306.366 -0.469 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1 1189355743 UMUJSJUVGREPPO-NWDGAFQWSA-N 308.382 -0.900 30 20 DBED CN(CC(=O)NCC#N)[C@H]1CCN(C(=O)[C@@H]2CCCOCC2)C1 1189875204 WSBFXTQWPRDICZ-KGLIPLIRSA-N 322.409 -0.024 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2ccn(C)c2)C1 1192187534 SAYWYFDUFUTWCE-CHWSQXEVSA-N 306.366 -0.898 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(CCCN2CCCC2=O)C[C@H]1O 1192523833 ALVXYHGKLTTZHL-HUUCEWRRSA-N 321.421 -0.036 30 20 DBED C#CCCN(C)[C@@H]1CCN(C(=O)[C@@H](CCC(N)=O)NC(C)=O)C1 1192889078 QPGZUGBAPAXNGU-ZIAGYGMSSA-N 322.409 -0.687 30 20 DBED C[C@H]1OCCC[C@H]1C(=O)N1CCCN(CC(=O)NCC#N)CC1 1195659596 IERIPPPWUNCYHJ-ZIAGYGMSSA-N 322.409 -0.024 30 20 DBED C=CCOCCN1CCCN(C(=O)[C@H]2CN(C)C(=O)N2)CC1 1196732116 MVICVDWMZOPONN-CYBMUJFWSA-N 310.398 -0.253 30 20 DBED N#CCSCC(=O)N1CCC(NCC(=O)NC(N)=O)CC1 1199388307 UOHOKBLJCIONCY-UHFFFAOYSA-N 313.383 -0.981 30 20 DBED C=CCNC[C@@H]1CN(C(=O)[C@H](C)NC(=O)COC)CCCO1 1200581785 GJYJFYHCUSBOJZ-QWHCGFSZSA-N 313.398 -0.469 30 20 DBED C#CCNC[C@@H]1CN(C(=O)CCCCNC(N)=O)CCCO1 1200919760 FGOPZYZTPIQGAV-CYBMUJFWSA-N 310.398 -0.335 30 20 DBED C#CCNC(=O)CNC[C@H]1CN(C(=O)C(C)(C)C)CCCO1 1201918060 ZOBPLBQEDCPCLT-ZDUSSCGKSA-N 309.410 -0.011 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCC(CN[C@@H](C)C(N)=O)CC1 1205479784 XZUJHOJRWXJGNR-ZFWWWQNUSA-N 320.437 -0.214 30 20 DBED C#CCNCC1CCN(C(=O)[C@@H](CCC)S(N)(=O)=O)CC1 1205762775 NMKGXNPJOVARSW-CYBMUJFWSA-N 315.439 -0.095 30 20 DBED Cc1ncc(CC(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@H]2C)o1 1207531306 OXWUGVKCCBJKGD-ZWNOBZJWSA-N 319.365 -0.398 30 20 DBED C#CCCN[C@@H]1CCCN(C(=O)CCn2ncn(C)c2=O)C1 1208703911 GHYNQZUYTDYPNP-CYBMUJFWSA-N 305.382 -0.424 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)c2ccnnc2)C1 1209809801 YLFZZPFQFVLKJC-TZMCWYRMSA-N 315.377 -0.191 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)C[C@@H]2CCN(C)C2)C1 1210673864 IKUZUVQHIJGDIA-GJZGRUSLSA-N 320.437 -0.342 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)C2(C)CC2)[C@H](OC)C1 1212307060 UDUUCCYFRHJVTN-YNEHKIRRSA-N 307.394 -0.260 30 20 DBED C=CCN1C[C@@H](NC(=O)CNC(=O)c2ccncc2)[C@H](OC)C1 1212311429 MVGBJBSDEFRJNH-ZIAGYGMSSA-N 318.377 -0.187 30 20 DBED CC#CCN1C[C@@H](NC(=O)CC(=O)NCC2CC2)[C@H](OC)C1 1213700357 NVDQLPSJAQJYQK-ZIAGYGMSSA-N 307.394 -0.259 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)CCCC(C)=O)C[C@H]1C 1214133464 DAFKWTRWIIWTJJ-TZMCWYRMSA-N 307.394 -0.068 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2cc[nH]n2)C[C@H]1C 1214179425 KNZQPOVKKHJVGB-NTZNESFSSA-N 303.366 -0.402 30 20 DBED C=C(Cl)CN[C@@H]1CN(C(=O)CNS(=O)(=O)NC)C[C@H]1C 1215234100 CQVOMWAKEGRKBH-PSASIEDQSA-N 324.834 -0.771 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)COC[C@@H]1CCOC1 1218709906 XHHKKCDMWLXPSY-HZSPNIEDSA-N 309.366 -0.525 30 20 DBED COCC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1[nH]cnc1C 1219073428 KWTBSUSCXHAVIL-UONOGXRCSA-N 318.377 -0.107 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)CCOCC)C1 1219352125 ROXZOKPDVSSPMI-XQQFMLRXSA-N 313.398 -0.735 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)CN2CCC(C)(C)C2)C1 1220361435 CFJYRBQBMJEZQC-CABCVRRESA-N 323.437 -0.471 30 20 DBED C[C@@H](NC(=O)CC1CCCC1)C(=O)N[C@@H]1CN(CC#N)C[C@@H]1O 1220548038 TZWKVQRJBUTSOU-BNOWGMLFSA-N 322.409 -0.244 30 20 DBED Cn1cc(C(=O)N2C[C@H]3CCN(CC(=O)NCC#N)C[C@H]32)cn1 1221252896 GCCTTXGHPYFWFE-DGCLKSJQSA-N 316.365 -0.794 30 20 DBED C=CCOCCN1CC[C@@H]2CN(C(=O)[C@H](C)NC(N)=O)[C@@H]2C1 1221508183 JNQRBVFZTJQURM-YNEHKIRRSA-N 310.398 -0.222 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)[C@@H](C)NS(=O)(=O)CC)[C@@H]2C1 1221565478 HVIVJVSWFJXXCD-JHJVBQTASA-N 313.423 -0.520 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)[C@H](OC)C2CC2)CC1 1223034340 YCATZYXHAQRXOO-MRXNPFEDSA-N 321.421 -0.011 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cnccn1 1224555215 GWTWOKDHVJSFMM-VXGBXAGGSA-N 316.365 -0.253 30 20 DBED C=CCCN1CCC(CNC(=O)CN2CC(=O)NC2=O)CC1 1224872025 ILBVXPGSBWXNBO-UHFFFAOYSA-N 308.382 -0.058 30 20 DBED C#CCNC(=O)[C@H](C)N(C)CCCNC(=O)c1cc[n+]([O-])cc1 1233599264 ZUEHYSNFWYJJFN-ZDUSSCGKSA-N 318.377 -0.490 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccnn1C 1320017208 JWQLPYIYQYCYNE-UHFFFAOYSA-N 300.340 -0.924 30 20 DBED C=C[C@@H](COC)NS(=O)(=O)CCNS(=O)(=O)CC 1320584469 SRDDAYZNTJXZIE-VIFPVBQESA-N 300.402 -0.954 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N[C@H]1CCN(C(=O)NCC)C1 1323527522 GRIRVCXXSUPTGG-MNOVXSKESA-N 312.370 -0.776 30 20 DBED COC[C@@H]1CN(C(=O)C(=O)N2CC[C@](F)(C#N)C2)C[C@@H](C)O1 1325084320 PEHVVPIZYUUGEX-SUNKGSAMSA-N 313.329 -0.287 30 20 DBED COC(=O)[C@@H]1CCN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)[C@@H]1C 1327039358 MTMCMLALQJXWNF-UEKVPHQBSA-N 323.349 -0.727 30 20 DBED C=CCOCCNC(=O)C(=O)N1C[C@@H](COC)O[C@H](C)C1 1327052988 PMYBMUPPFPOPHX-NEPJUHHUSA-N 300.355 -0.433 30 20 DBED C#C[C@@H](NC(=O)C(=O)N(C)Cc1nnc(C)o1)[C@@H]1CCCO1 1328452640 SRSZONMFOASJKW-MNOVXSKESA-N 306.322 -0.367 30 20 DBED C=CCN(C(=O)C(=O)N(C)C[C@H]1COCCO1)[C@H](C)COC 1330464373 YYCMKNIGFWDGBP-OLZOCXBDSA-N 314.382 -0.090 30 20 DBED Cn1c(S)nnc1CCNC(=O)N1CC[C@@](O)(CC#N)C1 1330715258 LWGJPTDSONFVDK-LBPRGKRZSA-N 310.383 -0.294 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N1CCOC2(CCOCC2)C1 1343070231 PQBDWIZBBORMMY-LBPRGKRZSA-N 312.366 -0.288 30 20 DBED COCCN(C)CCCNC(=O)C(=O)N1CC[C@@](F)(C#N)C1 1345143552 ZLVMVEALFCXMLS-CQSZACIVSA-N 314.361 -0.465 30 20 DBED CCn1cnc2c1CCN(C(=O)C(=O)N1CCO[C@H](C#N)C1)C2 1345848996 JWBUCBLYTDGJDD-LLVKDONJSA-N 317.349 -0.461 30 20 DBED C=CCn1cc(CNC(=O)NC[C@H](C)N2CCN(C)CC2)nn1 1346432545 MWMBVOHEHNFYEV-ZDUSSCGKSA-N 321.429 -0.101 30 20 DBED C[C@H]1CN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C[C@@H](C)O1 1351768991 QRYBYKMOWJANJY-SCRDCRAPSA-N 320.393 -0.179 30 20 DBED C#CCN(C(=O)C(=O)N1CCC2(CC1)CNC(=O)C2)C(C)C 1353073085 CPPAVNLKNAYCCV-UHFFFAOYSA-N 305.378 -0.015 30 20 DBED C#CCOCCN(C)C(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 1353520346 CZOGXRGZINABCW-OXHZDVMGSA-N 320.345 -0.743 30 20 DBED C[C@@H](C#N)C(=O)NCC1CN(C(=O)c2ccc(C(N)=O)o2)C1 1374898580 JWJZKSOGHXRJNP-QMMMGPOBSA-N 304.306 -0.274 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CN(C)C(=O)CC1OCCCO1 1382970073 QDFCZDYHNSESML-MNOVXSKESA-N 313.354 -0.765 30 20 DBED C=C(Cl)CN(C)CCNC(=O)Cn1ncn2nccc2c1=O 1399588637 NYHMRUNFVWBRJL-UHFFFAOYSA-N 324.772 -0.309 30 20 DBED COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N1CCC(C#N)CC1 1413893633 CMRYAUMRMVPVPO-UWVGGRQHSA-N 310.354 -0.002 30 20 DBED Cn1nncc1C(=O)NCC1(NC(=O)c2ccc(C#N)[nH]2)CC1 1417131687 KOUZKIKVOPXHHF-UHFFFAOYSA-N 313.321 -0.293 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CCN(C(=O)c2ccoc2CC(N)=O)C1 1427406266 JGQBJLIADARULG-VHSXEESVSA-N 318.333 -0.202 30 20 DBED CN(CCNC(=O)c1cc(C#N)c[nH]1)C(=O)Cn1cncn1 1448777612 AUZOTVCOHYRMMO-UHFFFAOYSA-N 301.310 -0.634 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@](C)(NC(=O)C2(NC(N)=O)CC2)C1 1453854928 JAUYMQSFPVERSV-TVQRCGJNSA-N 307.354 -0.546 30 20 DBED C[C@@H](CC(N)=O)C(=O)N1CC(NC(=O)c2cc(C#N)c[nH]2)C1 1456245490 AQWNSKPBQAKHRV-QMMMGPOBSA-N 303.322 -0.662 30 20 DBED C=C(Cl)CNC[C@H](C)NC(=O)Cn1nc(C)n(C)c1=O 1483288894 JEZIEDZOWXQGHE-VIFPVBQESA-N 301.778 -0.263 30 20 DBED C[C@@H](CN(C)C(=O)c1cc(C(N)=O)c[nH]1)NC(=O)[C@H](C)C#N 1487882101 IHUBVTCCBXKAHV-BDAKNGLRSA-N 305.338 -0.150 30 20 DBED C[C@H](C#N)C(=O)N[C@H](CNC(=O)CCN1CCOCC1)C1CC1 1493623474 PVTOAFCIUGHUND-TZMCWYRMSA-N 322.409 -0.121 30 20 DBED C[C@@](C#N)(CC(=O)O)C(=O)NCc1nc(O)c2c(n1)CCOC2 1573366191 ZKZQOZVUVSBONR-AWEZNQCLSA-N 320.305 -0.124 30 20 DBED C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)NC(=O)[C@@H](C)C#N 1573584706 CCMJPPZIMFSAKT-YUMQZZPRSA-N 316.325 -0.411 30 20 DBED C#CCN(CC(=O)O)c1nnnn1[C@H]1CC=C(C(=O)OC)C1 1588427112 MPWJLDHTQGHONG-JTQLQIEISA-N 305.294 -0.368 30 20 DBED C#CCn1ccc(CN(CC)C(=O)C(=O)N(C)CCC(=O)O)n1 1588433464 RBIQPHKJGYSGIN-UHFFFAOYSA-N 320.349 -0.202 30 20 DBED C[C@@](C#N)(CC(=O)O)C(=O)N1CCO[C@@H](Cn2ccnn2)C1 1588538542 KMSACSXLEMQWMT-MFKMUULPSA-N 307.310 -0.490 30 20 DBED C=CCCOCC(=O)NCC1CN(C(=O)[C@@H]2C[C@H]2C(=O)O)C1 1588810575 YJRVFMZPPBXSNF-VXGBXAGGSA-N 310.350 -0.126 30 20 DBED N#Cc1ccccc1Cn1c(=O)c(C#N)cn(CC(=O)O)c1=O 1594631598 FKPBPUGYZSNREF-UHFFFAOYSA-N 310.269 -0.114 30 20 DBED N#CCc1cccc(NC(=O)C(=O)NCCOCC(=O)O)c1 1601077928 RICGFJPGDNDNKG-UHFFFAOYSA-N 305.290 -0.091 30 20 DBED C=CCn1cc(CNC(=O)c2cnccc2-c2nn[nH]n2)nn1 1602882793 UEUIBYHLMBZLKF-UHFFFAOYSA-N 311.309 -0.031 30 20 DBED CC(C)(C#N)CNC(=O)C(=O)Nc1cccc(-c2nn[nH]n2)n1 1603034505 FTDHKXQNLXVGQC-UHFFFAOYSA-N 314.309 -0.134 30 20 DBED CO[C@H](C(=O)O)C(=O)N1CCN(c2ccc(C#N)nc2)CC1 1604420702 AXMZHBJKUMQLDY-LBPRGKRZSA-N 304.306 -0.299 30 20 DBED Cn1nc(C(=O)O)cc1C(=O)N1CCN(C(=O)CC#N)CC1 1605533359 AEYVLBQDVKGNOJ-UHFFFAOYSA-N 305.294 -0.684 30 20 DBED C#CCN(C(=O)c1ccc(C(=O)O)[nH]1)[C@H]1CCS(=O)(=O)C1 1609137333 MYCYAMNJTJGDBW-VIFPVBQESA-N 310.331 -0.025 30 20 DBED N#C[C@]1(F)CCN(c2nnnn2CCCN2CCOCC2)C1 1647438748 BZLBXAZDQQGHSQ-CYBMUJFWSA-N 309.349 -0.163 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@H](NC(=O)Cn2ccnc2)C1 1698549170 FDZVERXANWSTRI-OLZOCXBDSA-N 303.366 -0.789 30 20 DBED N#CCNC(=O)CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 1752761978 RYDFUZBNNVNDKQ-MLGHIDQZSA-N 306.366 -0.570 30 20 DBED COCC#CCN[C@H]1C[C@@H](NC(=O)C(C)(C)N2CCOCC2)C1 1752767011 ROXIFQRDGWOGKW-GASCZTMLSA-N 323.437 -0.016 30 20 DBED C=CCNC(=O)CN(C)CCNC(=O)c1c(O)nnc(C)c1C 1753058726 BPCWGXNIEJPBFN-UHFFFAOYSA-N 321.381 -0.237 30 20 DBED C=CCNC(=O)CN1CCC[C@H]1CNC(=O)c1cncn1C 1753103256 JJWKQMIBJQMYEV-LBPRGKRZSA-N 305.382 -0.084 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC(CNC(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1753408504 QAERSFMFBCHBEJ-ZZVYKPCYSA-N 307.394 -0.383 30 20 DBED Cc1ncncc1C(=O)N(C)[C@H]1CCN(CC(=O)NCC#N)C1 1753429473 ICIYWWDTBZKABP-LBPRGKRZSA-N 316.365 -0.429 30 20 DBED C#CCCNC[C@@H](C)N(C)C(=O)[C@H](CCC)S(N)(=O)=O 1753704937 NRLBJQDYXPZJCP-NEPJUHHUSA-N 303.428 -0.097 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H](CNC(=O)c1nc[nH]n1)C(C)C 1753839568 NBKAJDHGVMCULC-MNOVXSKESA-N 308.386 -0.161 30 20 DBED CC#CCNC[C@@H](O)CNC(=O)[C@H]1COCCN1CC(F)F 1753921081 DMFLLKDOVDJYOO-VXGBXAGGSA-N 319.352 -0.958 30 20 DBED COCC#CCNC[C@H](C)NC(=O)CS(=O)(=O)C(C)C 1754296004 UVCTXMKMYZHXMV-LBPRGKRZSA-N 304.412 -0.446 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC(O)(CNC(=O)CC2CCCC2)C1 1754764163 RCBJCAZTCCUXMW-CYBMUJFWSA-N 321.421 -0.133 30 20 DBED C[C@@H](NCC(=O)NCC#N)[C@H]1CCN(C(=O)CN2CCCC2)C1 1754808283 ZXLISYUZZICPCX-KGLIPLIRSA-N 321.425 -0.451 30 20 DBED C#CCNC[C@H]1CN(C(=O)CN(C)S(=O)(=O)CC)C[C@H]1C 1754825216 XDYASCGLLMBVPU-OLZOCXBDSA-N 315.439 -0.415 30 20 DBED CC#CCN1CCC[C@@](CO)(NC(=O)[C@H]2CC(=O)N(CC)C2)C1 1754856454 LLAFIDBEMBZOQJ-WMLDXEAASA-N 321.421 -0.179 30 20 DBED C=CCOCC(=O)NC[C@H]1COCCN1Cc1cn(CC)nn1 1754965565 KKJAZKZMXWCHMH-AWEZNQCLSA-N 323.397 -0.182 30 20 DBED CC(C)(C)[C@@H](NC(N)=O)C(=O)NC[C@@H]1COCCN1CC#N 1754975007 SVAXUOYDXTYPDU-MNOVXSKESA-N 311.386 -0.590 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)NC[C@H]1CN(C(C)=O)CCO1 1754997124 WZGJUOCGYDIUGU-JQWIXIFHSA-N 312.370 -0.776 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)C(C)(C)NC(C)=O)CO2)C1 1755063583 LKJHFAJHOYBNBX-ZDUSSCGKSA-N 307.394 -0.116 30 20 DBED C=CCNC(=O)NC(=O)CN[C@H]1CN(C(=O)COC)C[C@@H]1C 1755105223 DGNVSVFQSDIADP-QWRGUYRKSA-N 312.370 -0.919 30 20 DBED CN(C(=O)CS(=O)(=O)N(C)C)C1CCC(NCC#N)CC1 1755276460 JEPBVFBJKXEJKP-UHFFFAOYSA-N 316.427 -0.239 30 20 DBED C#CCCN(C)[C@@H](C)CNC(=O)[C@H](CCC)S(N)(=O)=O 1755309625 FIKCNMSTMZMGMY-RYUDHWBXSA-N 303.428 -0.097 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(CNC(=O)COC(C)C)[C@@H]2C1 1755418826 ZLHJZOORDMNBFA-KBPBESRZSA-N 307.394 -0.545 30 20 DBED C=CCCN[C@H](CO)CNC(=O)Cc1c(C)nc(O)nc1O 1755642567 WUKHVIGOOUKLHB-JTQLQIEISA-N 310.354 -0.618 30 20 DBED C=CCNC[C@H](O)CN(C)C(=O)c1cnc2c(c1)nnn2C 1755783190 MQNNLVSYMVQPNV-NSHDSACASA-N 304.354 -0.428 30 20 DBED C=CCNC(=O)[C@@H](C)NC[C@@H](O)CN(C)C(=O)c1ccncn1 1755791810 OOPZGLYUJCQMNS-VXGBXAGGSA-N 321.381 -0.810 30 20 DBED C#Cc1ccc(C(=O)N2CCC[C@@H]2CN(C)C(=O)C(N)=O)cn1 1755920527 PMXVUINGMPTWQE-CYBMUJFWSA-N 314.345 -0.389 30 20 DBED C#CCOCCC(=O)N(C)[C@H](C)CNC(=O)c1cnnc(O)c1 1756039090 DLHJCROVFLABDF-LLVKDONJSA-N 320.349 -0.201 30 20 DBED Cc1ncc(CC(=O)N[C@@H](CO)CNC(=O)C#CC2CC2)o1 1756519879 PRFQFXRCRJTPQY-GFCCVEGCSA-N 305.334 -0.468 30 20 DBED CC(C)C#CC(=O)N(C)C[C@H](O)CNC(=O)c1ccnn1C 1756661992 HLPPDGDAWZQKRM-GFCCVEGCSA-N 306.366 -0.371 30 20 DBED C#CC(=O)N1CCO[C@]2(CCN(C(=O)Cc3cc(C)[nH]n3)C2)C1 1779164748 WQAHTVOFGRRFRK-INIZCTEOSA-N 316.361 -0.276 30 20 DBED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3[nH]cnc3C)C[C@@H]21 1790791607 IYYMBPXITIZKEP-AVGNSLFASA-N 316.361 -0.055 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](C)CN 1847803386 YFCGKGQKJANLGU-RFGFWPKPSA-N 307.394 -0.179 30 20 DBED COc1ccc(C#N)cc1CN1CCN2C(=O)C(=O)NC[C@H]2C1 157132196 LWZDPNXVSKDKJZ-ZDUSSCGKSA-N 314.345 -0.291 30 20 DBED C#CCNC(=O)[C@H](C)Nc1cnn(CC(=O)NCCOC)c1 186337791 ZZARKPQUOHLDSG-NSHDSACASA-N 307.354 -0.805 30 20 DBED CC#CCCCC(=O)N1CCN(CCS(N)(=O)=O)CC1 186430673 NOXBYADRHQZYNG-UHFFFAOYSA-N 301.412 -0.387 30 20 DBED N#C[C@@H]1CN(C(=O)[C@@H]2Nc3ccccc3S(=O)(=O)N2)CCO1 267366624 IAPLZBAUXQTHCD-BXKDBHETSA-N 322.346 -0.533 30 20 DBED N/C(=N\OCC(=O)N1CCOCC1)[C@@H]1COc2ccccc2O1 268696238 BVDKTDQNSDGFBP-ZDUSSCGKSA-N 321.333 -0.026 30 20 DBED C=CCNC(=O)CNC(=O)[C@H]1CC[C@@H](C(F)(F)F)NC1=O 271972188 JRDSGVFKNJAFLV-SFYZADRCSA-N 307.272 -0.138 30 20 DBED C#C[C@H](C)NC(=O)[C@](C)(O)CN1C(=O)NC2(CCCC2)C1=O 281690124 VGSIVAUFYDSQKE-IINYFYTJSA-N 307.350 -0.260 30 20 DBED CNC(=O)CN1CCN(c2cc(N)c([N+](=O)[O-])c(C#N)c2)CC1 283419889 BNGMMRATOPRBBR-UHFFFAOYSA-N 318.337 -0.083 30 20 DBED C=CCN(CCC#N)C(=O)CN1CCN(S(C)(=O)=O)CC1 293695581 IDNRZNXINYFNAN-UHFFFAOYSA-N 314.411 -0.508 30 20 DBED Cn1c(=O)c2ccc(C(=O)NC3(C#N)CCC3)nc2n(C)c1=O 299495272 IGYXMXFBEPQVJD-UHFFFAOYSA-N 313.317 -0.192 30 20 DBED C[C@@H]1CN(/C(O)=N/CCC(=O)N2CCOCC2)CC(=O)N1C 328734792 YRMXFKLOSQAEIK-LLVKDONJSA-N 312.370 -0.688 30 20 DBED Cc1occc1/C(O)=N/CC(=O)N1CCN(C(=O)[C@@H](C)O)CC1 330575125 QJYPVCFKRMAFCJ-SNVBAGLBSA-N 323.349 -0.056 30 20 DBED CC(C)NC(=O)CC/N=C(/O)N[C@@H]1CCCS(=O)(=O)C1 330708297 QVYGAIDZDCXEBW-SNVBAGLBSA-N 305.400 -0.018 30 20 DBED CCN(CCC/N=C(/O)N1CCO[C@@H](CO)C1)S(C)(=O)=O 331195009 RPMXNONTOKQKKF-LLVKDONJSA-N 323.415 -0.735 30 20 DBED C[C@@](C#N)(NC(=O)CN1CCC[C@H](S(N)(=O)=O)C1)C1CC1 331918759 UYCSHOKVMWNTAM-AAEUAGOBSA-N 314.411 -0.452 30 20 DBED COC(=O)C1(CS(=O)(=O)N2CCN(CC#N)CC2)CCC1 332443890 LTBBRMXIXBGAJG-UHFFFAOYSA-N 315.395 -0.199 30 20 DBED Cc1c([C@@H](C)NS(=O)(=O)N2CCO[C@@H](C#N)C2)cnn1C 336903147 CQKAVPRTTVTQQG-KOLCDFICSA-N 313.383 -0.152 30 20 DBED COCCN(CCC#N)S(=O)(=O)NC[C@@]1(OC)CCOC1 336937298 GTQSZTMDZGXHQI-LBPRGKRZSA-N 321.399 -0.512 30 20 DBED C=CCNC(=O)CNC(=O)Nc1cccc(S(N)(=O)=O)c1 346775121 VBUFXXBVWPDKEC-UHFFFAOYSA-N 312.351 -0.242 30 20 DBED N#Cc1cccc(NC(=O)C(=O)N2CCN(C(=O)CO)CC2)c1 349198850 CLCAXLQAMXGVHD-UHFFFAOYSA-N 316.317 -0.840 30 20 DBED C=CCNC(=O)NC(=O)COc1ccccc1S(N)(=O)=O 357407953 ARPTWCHUGPAJFL-UHFFFAOYSA-N 313.335 -0.275 30 20 DBED C=CCN(CCOC)C(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C 420064544 OSWTUSRQSRADQE-NEPJUHHUSA-N 313.398 -0.123 30 20 DBED C=CCCn1cc(C(=O)N[C@H](C)C(=O)N2CCOCC2)nn1 424610513 CACVEHNRFSESAU-LLVKDONJSA-N 307.354 -0.169 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 491742360 GPDNBXKXDLZCAY-CQSZACIVSA-N 306.410 -0.778 30 20 DBED C=C(C)CN1CCC(NC(=O)C2(S(N)(=O)=O)CC2)CC1 517748414 JKOJHKACGAYOFP-UHFFFAOYSA-N 301.412 -0.036 30 20 DBED C[C@H](C#N)CNC(=O)[C@](C)(O)CN1C(=O)NC2(CCCC2)C1=O 527244553 NMLXEVZGBNEYAP-QMTHXVAHSA-N 322.365 -0.122 30 20 DBED C=CCn1cc(CNC(=O)c2nc(N)nc(N(C)C)n2)nn1 568145362 UTCDWJLOTGLUHY-UHFFFAOYSA-N 303.330 -0.773 30 20 DBED COC(=O)[C@H](CC(C)C)NC(=O)Cn1c(=O)[nH]cc(C#N)c1=O 576399819 UJIVOBWTKXRINP-JTQLQIEISA-N 322.321 -0.888 30 20 DBED C=CCSCCNC(=O)C(=O)N1CCO[C@H]([C@@H](C)N)C1 591372986 HPHWKATYFOTWJM-MNOVXSKESA-N 301.412 -0.404 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N1CC(N2CC[C@@H](O)C2)C1 593651277 BLQUAOCSYRDHMD-DGCLKSJQSA-N 316.427 -0.536 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N1C[C@@H]2COC[C@]2(C(=O)O)C1 594690267 JXLWQPVNMJHYLM-CKYFFXLPSA-N 317.367 -0.644 30 20 DBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)c1cc(O)ncn1 599733832 WCSGGQHKAOPLDP-UHFFFAOYSA-N 301.310 0.064 30 20 DBED CC#CC[C@@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C(=O)O 600654570 AHEQSUFTCONFHH-SSDOTTSWSA-N 316.295 -0.527 30 20 DBED C=C[C@@H](O)C(=O)NCc1ccc([C@@]2(C)NC(=O)NC2=O)cc1 667894974 HXEVDJGXDMEGMK-IAQYHMDHSA-N 303.318 -0.096 30 20 DBED CC#CC[C@H](CO)NC(=O)CS[C@@H]1CCS(=O)(=O)C1 717748960 LAHNMXRTYNKPEU-GHMZBOCLSA-N 305.421 -0.203 30 20 DBED CCN(C1CCN(CC(=O)NCCC#N)CC1)S(C)(=O)=O 731356255 WRWOOJPVLVYKJO-UHFFFAOYSA-N 316.427 -0.238 30 20 DBED C=C(C)CN(CC)c1c(-c2nn[nH]n2)c(=O)n(C)c(=O)n1C 735399727 UDRJBYBENFFZKI-UHFFFAOYSA-N 305.342 -0.334 30 20 DBED CN1CCC(C#N)(NC(=O)c2ccc(-c3nn[nH]n3)cn2)CC1 736845852 OEZUGUBXDQZVSX-UHFFFAOYSA-N 312.337 -0.021 30 20 DBED N#Cc1ccc(O)c(NC(=O)CN2CCS(=O)(=O)CC2)c1 748411535 RCKXWCGQNUKXAX-UHFFFAOYSA-N 309.347 -0.067 30 20 DBED COCC[C@@H](NS(=O)(=O)c1cccc(F)c1C#N)C(N)=O 775739379 GAZXUXBTBWKHFH-SNVBAGLBSA-N 315.326 -0.134 30 20 DBED C#CCOc1ccc(NC(=O)C(=O)N(CCO)CCO)cc1 779521543 OQOORPJDTCBBKL-UHFFFAOYSA-N 306.318 -0.550 30 20 DBED COC(=O)[C@]1(F)CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)C1 800072903 YWJRFWBJAAYRLH-ONGXEEELSA-N 321.330 -0.957 30 20 DBED C[C@H](CNC(=O)NCC(=O)NCC#N)NC(=O)OC(C)(C)C 805399834 WRHZRJYWDVYUPG-SECBINFHSA-N 313.358 -0.161 30 20 DBED C#CCCS(=O)(=O)N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 808312077 MCMPNRNDQPEDAV-LBPRGKRZSA-N 322.452 -0.057 30 20 DBED C#CCN(CC(=O)NCCOCCO)C(=O)OC(C)(C)C 821366260 GPENPUBIZNTYSR-UHFFFAOYSA-N 300.355 -0.018 30 20 DBED C#CCO[C@@H](C)C(=O)NCC#CCNC(=O)[C@@H](C)OCC#C 828183933 OOBYPKMNIMCDOS-OKILXGFUSA-N 304.346 -0.701 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@@H]1CCN(CCC)C1)[C@H]1CCCO1 829213787 CGCCGIFFSMKSRA-HZSPNIEDSA-N 307.394 -0.116 30 20 DBED CC(C)(C)C(=O)Cn1cc(C(=O)N[C@H]2CNC[C@@H]2C#N)nn1 834479638 HEJQVKHKRGBOEE-UWVGGRQHSA-N 304.354 -0.265 30 20 DBED C#C[C@H](NC(=O)N1CC[C@@H](N2CCNCC2)C1)[C@@H]1CCCO1 841881308 PZDSCMGHEKQGNV-ILXRZTDVSA-N 306.410 -0.144 30 20 DBED CCCN1C[C@@H](C(=O)NS(=O)(=O)CC2(C#N)CC2)CC1=O 842334039 PSTFANBUMKBYCL-JTQLQIEISA-N 313.379 -0.005 30 20 DBED CC#CC[C@H](CO)NC(=O)C1(O)CN(C(=O)OC(C)(C)C)C1 848239363 ANOZLRQKBWRTEA-LLVKDONJSA-N 312.366 -0.141 30 20 DBED C#C[C@](C)(CC)NCCn1cnc2c1c(=O)n(C)c(=O)n2C 852101572 SAHDZQDUSQJSNG-OAHLLOKOSA-N 303.366 -0.175 30 20 DBED CCOC(=O)CON=C(C(=O)N[C@@H]1COC(=O)C1)c1cc[nH]n1 854555369 JNNLFXTVDDENKO-QMMMGPOBSA-N 324.293 -0.875 30 20 DBED C#CCNS(=O)(=O)N1CCN(c2nccc(C)c2C#N)CC1 872634040 SZKNYYRDZJFWJG-UHFFFAOYSA-N 319.390 -0.149 30 20 DBED COCCNC(=O)[C@H](C#N)C(=O)c1cccc(OCC(N)=O)c1 916890449 HPUHOUQSKBJCBJ-GFCCVEGCSA-N 319.317 -0.364 30 20 DBED C[C@H](NS(=O)(=O)N(C)[C@@H](C)CC#N)[C@@H]1CN(C)CCN1C 919990969 SRXROGMXKXKPSB-AVGNSLFASA-N 317.459 -0.311 30 20 DBED C#CC[C@H]1NC(=O)N(CC2CCN(S(C)(=O)=O)CC2)C1=O 927417158 QOJWARCMCQDZJY-LLVKDONJSA-N 313.379 -0.398 30 20 DBED Cn1ncc(C(=O)N2CC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)n1 939930640 VENKNIUNEOVEQT-SNVBAGLBSA-N 313.321 -0.341 30 20 DBED C#CCN1CCC(C(=O)N2CCO[C@H](CNC(C)=O)C2)CC1 944430751 YVAOAAOGEFJYEK-OAHLLOKOSA-N 307.394 -0.305 30 20 DBED Cc1nn[nH]c1C(=O)NC[C@H]1CN(C(=O)C#CC2CC2)CCO1 944698064 JAKWDKLGXKXIHR-LBPRGKRZSA-N 317.349 -0.516 30 20 DBED C=CCN1CC[C@H](N2CCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)CC2)C1=O 949757693 BCAQGMJJDWTOIX-LJISPDSOSA-N 319.405 -0.190 30 20 DBED Cc1ncnc(O)c1C(=O)N(C)C1CN(C(=O)[C@@H](C)C#N)C1 955065464 WTGRUGMBDUMOSH-QMMMGPOBSA-N 303.322 -0.067 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)C(N)=O 956189339 YOSFWOZXEWBUAR-TUAOUCFPSA-N 309.366 -0.440 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)N(C(=O)C(N)=O)C3)[nH]1 957969570 RZBOGXJLPVKFQF-LSJOCFKGSA-N 315.333 -0.519 30 20 DBED N#Cc1ccc(C(=O)NC[C@H]2CN(Cc3cnon3)C[C@H]2O)[nH]1 957984936 AVUNZGMZTHKEHU-TVQRCGJNSA-N 316.321 -0.508 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](CNC(=O)c2ccc3nnnn3c2)C1 958254774 SDHJEYHHENOLSI-CHWSQXEVSA-N 316.365 -0.277 30 20 DBED CC#CCN1C[C@H](CNC(=O)c2cc3n(n2)CCCO3)[C@@H](O)C1 958255231 WYMLKWBBXCWMAR-JSGCOSHPSA-N 318.377 -0.289 30 20 DBED C=CCN1C[C@@H](O)[C@H](CNC(=O)c2ccc3nncn3c2)C1 958482110 VPVCYZKTEDCCDG-CHWSQXEVSA-N 301.350 -0.062 30 20 DBED C#CCN1C[C@@H]2C(NC(=O)c3ccc(-n4cncn4)nc3)[C@H]2C1 961434606 CLDRCRZQINGTBM-STQMWFEESA-N 308.345 -0.045 30 20 DBED O=C(C#CC1CC1)N1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@H]2C1 961538631 VKYQMVPATMANEQ-XJFOESAGSA-N 317.345 -0.018 30 20 DBED N#Cc1ccc(C(=O)NC2CC(CN[C@H]3CCNC3=O)C2)[nH]1 961730279 BFDBECHQTQIWFA-NHNAUAITSA-N 301.350 -0.127 30 20 DBED C=CCn1cc(C(=O)N[C@H]2[C@@H]3CN([C@H](C)C(=O)NC)C[C@@H]32)nn1 961996174 XIZVFOQAPVUNCO-DCQANWLSSA-N 318.381 -0.741 30 20 DBED C#CCOc1ncccc1C(=O)NC1[C@@H]2CN(CCO)C[C@@H]12 962334669 UFDHJKNIEFJUEQ-CHWSQXEVSA-N 301.346 -0.254 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@H](NC(=O)c2cncnc2)C1 962432060 PTKIJXPXBFMCFD-NEPJUHHUSA-N 304.350 -0.010 30 20 DBED Cc1c(C(=O)NC[C@H]2COCCN2C(=O)[C@H](C)C#N)nnn1C 964129905 PRLJYIVXLHCVDH-KOLCDFICSA-N 320.353 -0.760 30 20 DBED CCN(C(=O)[C@H]1CNC(=O)N1)C1CN(C(=O)C#CC2CC2)C1 968302902 PGELMUGGNFAGEC-GFCCVEGCSA-N 304.350 -0.860 30 20 DBED CN([C@H]1CCC(=O)NC1=O)[C@@H]1CCN(C(=O)C#CC2CC2)C1 971507493 INQMQYKJLNEUEX-OLZOCXBDSA-N 303.362 -0.262 30 20 DBED CC#CCN1C[C@H]2CC[C@H]1CN2C(=O)c1cnc(O)n(C)c1=O 971675682 LESTVVROEPRZSV-NWDGAFQWSA-N 316.361 -0.202 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)[C@H]3CCNC(=O)CC3)C2)C1 972480804 SSDVPKIAINFBFT-PBHICJAKSA-N 319.405 -0.161 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)c3c[nH]c(=O)cn3)[C@@H]2C1 974929676 HGVDURCPFROSAA-HOSYDEDBSA-N 315.333 -0.398 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)CN3CCOCC3)[C@H]2C1 976376256 NOJSGXHXYRFHSR-CIQGVGRVSA-N 306.366 -0.949 30 20 DBED C=CCN1C[C@@H]2CC[C@H](NC(=O)CN3CCNC(=O)C3)C[C@H]2C1 980151175 FPDZVDJINWCTPU-KKUMJFAQSA-N 320.437 -0.179 30 20 DBED O=C(N[C@H]1CCN(C(=O)C#CC2CC2)C[C@H]1O)c1ccon1 991307582 QKJZRQPKMXDQJX-WCQYABFASA-N 303.318 -0.220 30 20 DBED C=CCn1cc(C(=O)NC2CN(C(=O)[C@H]3CO[C@H](C)C3)C2)nn1 991677573 RJSHDKDFPSJNSQ-GHMZBOCLSA-N 319.365 -0.170 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CCN(C(=O)c3nc[nH]n3)C[C@@H]2O)C1 991773807 VXWMSVCVDZGBEX-MNOVXSKESA-N 319.365 -0.147 30 20 DBED N#CCNC1CCN(C(=O)Cn2nc3ccccn3c2=O)CC1 996854057 ALSUZSVANWJXAC-UHFFFAOYSA-N 314.349 -0.400 30 20 DBED Cn1cnc(C(=O)NCC2CN(C(=O)c3ccc(C#N)[nH]3)C2)n1 1001716821 POYXVGSHDTWFKI-UHFFFAOYSA-N 313.321 -0.483 30 20 DBED N#CCN1CCC[C@H]1C1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 1004530220 PBRUMLJHNPQSDJ-STQMWFEESA-N 305.382 -0.106 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@]2(C)CN(C(=O)CC(N)=O)C[C@]2(C)C1 1010960239 PMACENRVOGBZTC-NZVBXONLSA-N 306.366 -0.282 30 20 DBED N#Cc1cc(C(=O)N[C@@]23CCC[C@H]2N(C(=O)C(N)=O)CC3)c[nH]1 1014252897 ZDTPMRLAYPQTAV-IAQYHMDHSA-N 315.333 -0.375 30 20 DBED N#CCN1CC[C@@H](NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 1014423331 GISUBUZIHBNKHO-WDEREUQCSA-N 302.338 -0.523 30 20 DBED C#Cc1cccc(NC(=O)CN2CC[C@H](NC(=O)C(N)=O)C2)c1 1015639378 CPRFVGOLZIDJMJ-ZDUSSCGKSA-N 314.345 -0.718 30 20 DBED C#CCCN1CC[C@H](NC(=O)Cc2c(C)nc(O)nc2O)C1 1015895313 JOONYPMGUFAKMB-NSHDSACASA-N 304.350 -0.047 30 20 DBED C[C@H](C#N)C(=O)N1CCC2(CN(C(=O)CCn3cnnn3)C2)C1 1019330565 JVLLBWZKVXCAAR-LLVKDONJSA-N 317.353 -0.716 30 20 DBED C=CCN1CC[C@H](N[C@H]2C[C@H](NC(=O)c3cnn[nH]3)C2)C1=O 1020343582 WVSMCUYLHJVTQR-DCAQKATOSA-N 304.354 -0.558 30 20 DBED N#CCN1CC[C@H]2[C@@H](CCCN2C(=O)CN2C(=O)CNC2=O)C1 1021729998 JLJFVXPKHCFMHQ-RYUDHWBXSA-N 319.365 -0.625 30 20 DBED C=CCN[C@H]1C[C@@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 1022518459 OBJONGLOMNQHQS-AOOOYVTPSA-N 302.342 -0.270 30 20 DBED C=CCN[C@@H]1CC[C@H]2CN(C(=O)c3nnc(O)nc3O)C[C@@H]21 1026304889 RGMBDUKMFAWNCL-LPEHRKFASA-N 305.338 -0.091 30 20 DBED C=CCN1CC[C@H](N[C@@H](C)C2CCN(C(=O)C(N)=O)CC2)C1=O 1029138626 NPGBYQRUSVVSSN-AAEUAGOBSA-N 322.409 -0.525 30 20 DBED Cn1nnc(CN2[C@H]3CC[C@H]2CN(C(=O)C#CC2CC2)C3)n1 1029302870 UYYVEPSXZDTUSV-STQMWFEESA-N 300.366 -0.201 30 20 DBED C#CCCN1CC2(CCN(C(=O)C3CC(=O)NC(=O)C3)CC2)C1 1035816755 PJPXXENAOUIYOH-UHFFFAOYSA-N 317.389 -0.013 30 20 DBED Cc1cc(C)n(CC(=O)N[C@@H]2[C@H]3C[C@H]2N(CC#N)C3)c(=O)n1 1037641023 LIQKTFYFGYNVCO-OUCADQQQSA-N 301.350 -0.427 30 20 DBED C=CCOCC(=O)N1CC[C@](O)(CNC(=O)C#CC2CC2)C1 1039677018 CQTDDVXJBAVTKC-INIZCTEOSA-N 306.362 -0.318 30 20 DBED CN1CC[C@@H](C(=O)N2CC[C@](O)(CNC(=O)C#CC3CC3)C2)C1 1039688094 ADWPRNJARYEAFF-PBHICJAKSA-N 319.405 -0.569 30 20 DBED Cc1c[nH]c(C(=O)NC[C@@]2(O)CCN(C(=O)[C@@H](C)C#N)C2)n1 1039832935 UWBOOQSVJJACAN-XPTSAGLGSA-N 305.338 -0.429 30 20 DBED C#CCN1[C@H]2CCC[C@H]1CN(C(=O)[C@H]1COCCN1C(C)=O)C2 1040010698 ZEMIIXKYZFUEBD-HRCADAONSA-N 319.405 -0.068 30 20 DBED COC1CC(C(=O)NC[C@]2(O)CCN(C(=O)C#CC3CC3)C2)C1 1040134491 XPLXPLPQUUOYLF-MQBCKMQZSA-N 320.389 -0.096 30 20 DBED CCN(C)C(C)(C)C(=O)NC[C@@]1(O)CCN(C(=O)[C@@H](C)C#N)C1 1040183174 XMYOBJSHBVPMDY-LRDDRELGSA-N 324.425 -0.044 30 20 DBED C[C@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)c2ccn(C)c2)C1 1040763974 SXTFTOFGOJIBTN-IAQYHMDHSA-N 304.350 -0.122 30 20 DBED Cc1cc(C#N)nc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCOC3)C2)n1 1040939483 RMNPSEFBYICENP-RAIGVLPGSA-N 317.349 -0.641 30 20 DBED N#Cc1cnccc1N1C[C@@H](O)[C@H](NC(=O)c2cnsn2)C1 1040939832 XGFRLHXBIOOAQR-ZYHUDNBSSA-N 316.346 -0.216 30 20 DBED C#CCCCC(=O)N1CC[C@@](O)(CNC(=O)Cc2cnc[nH]2)C1 1041034265 AMUASQBCAUBOOV-MRXNPFEDSA-N 318.377 -0.165 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)c2ccc(C)n2C)C1 1041454225 VYXGIFBPQZMWCF-UHFFFAOYSA-N 321.377 -0.161 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)[C@H]2C[C@@H]2OCC)C1 1042039805 IKBIGLKNKAGFGJ-RYUDHWBXSA-N 312.366 -0.697 30 20 DBED Cn1ccc(C(=O)NCC2(O)CN(C(=O)C#CC3CC3)C2)c1 1042541526 RECGCKIKQQFIRC-UHFFFAOYSA-N 301.346 -0.258 30 20 DBED CC(C)(C)OCC(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1042660517 AZSAGCJKQZBEDD-UHFFFAOYSA-N 308.378 -0.096 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(O)CN(C(=O)c2[nH]cnc2C)C1 1042814278 IJLUQWCIKOMFLT-AWEZNQCLSA-N 322.365 -0.652 30 20 DBED N#Cc1nccc(N2C[C@H](O)[C@H](NC(=O)c3csnn3)C2)n1 1044355185 UNWCQEAPTMXNSH-APPZFPTMSA-N 317.334 -0.821 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)Cc3cnc[nH]3)C2)cn1 1044604599 LLQQJYBRNKSSCB-KGLIPLIRSA-N 312.333 -0.415 30 20 DBED C=C[C@H](CC)CC(=O)N1CC(O)(CNC(=O)c2nnn(C)n2)C1 1044939251 MLPAAAIXNBHTLT-SNVBAGLBSA-N 322.369 -0.885 30 20 DBED Cc1cc(C(=O)NCC2(O)CN(C(=O)[C@H](C)C#N)C2)ccn1 1045180348 LOYNHFRSKMAVLI-SNVBAGLBSA-N 302.334 -0.147 30 20 DBED C#CCN1CC[C@@H](N2CCN(C(=O)c3[nH]nnc3C)CC2)C1 1046050270 IYIAYILRDBASNT-CYBMUJFWSA-N 302.382 -0.422 30 20 DBED CC(C)(C)C#CC(=O)N1CC(O)(CNC(=O)c2ccnnc2)C1 1047122599 ZSMDQTKQLJJONG-UHFFFAOYSA-N 316.361 -0.171 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2ncn(C)n2)C1 1048782869 XFXYAWSAPUOBIX-QWRGUYRKSA-N 307.354 -0.575 30 20 DBED C#CCOCCC(=O)N(C)[C@H]1CN(C(=O)CSC)C[C@@H]1O 1048844594 OGJGICUXISPKGQ-RYUDHWBXSA-N 314.407 -0.581 30 20 DBED C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)CN1CCNC(=O)C1 1049638355 LGXCEXAFONMUGH-KBPBESRZSA-N 304.394 -0.883 30 20 DBED CC#CCN1CCC2(CC1)CN(C(=O)Cn1cnnc1O)C2 1050494385 SAMXPWPFWUMWIO-UHFFFAOYSA-N 303.366 -0.069 30 20 DBED CCC(=O)N1CC[C@H](C(=O)NC[C@H]2COCCN2CC#N)C1 1051196422 CDBJRWGRVVCSSO-STQMWFEESA-N 308.382 -0.415 30 20 DBED N#Cc1ccc(C(=O)N2CCO[C@@H](CN[C@@H]3CCNC3=O)C2)[nH]1 1051554656 IAMKAYHFALMPIZ-NWDGAFQWSA-N 317.349 -0.795 30 20 DBED C#CCN1CCN([C@@H]2CCN(C(=O)c3cnn(C)n3)C2)CC1 1052098136 DXXUQDKEVZUOQQ-CYBMUJFWSA-N 302.382 -0.720 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)c1ccn(C)c(=O)c1)CCO2 1053311831 BKFLEBRLWXFCOU-UHFFFAOYSA-N 315.373 -0.065 30 20 DBED C=C(C)CCN1CC2(C[C@@H](NC(=O)Cn3cnnn3)CO2)C1 1053733613 ZWDITXUTZHJDAA-GFCCVEGCSA-N 306.370 -0.401 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)[C@H]3CCCCN3C(N)=O)CO2)C1 1053980553 QXWTYHJWSSLZAL-CHWSQXEVSA-N 320.393 -0.488 30 20 DBED C=CC(C)(C)C(=O)NCCN1CCC(NC(=O)C(N)=O)CC1 1055607787 DCNLYTMAEKTQSD-UHFFFAOYSA-N 310.398 -0.619 30 20 DBED C[C@H](C#N)C(=O)N[C@]1(CO)CCCN(C(=O)c2ccnnc2)C1 1056096536 ITOYWIBDPRATPR-IAQYHMDHSA-N 317.349 -0.280 30 20 DBED C[C@@]1(C(=O)N2CC[C@@H](Nc3cncc(C#N)n3)C2)CCNC1=O 1056777160 MLQOZPHQWXNXGO-MEBBXXQBSA-N 314.349 -0.113 30 20 DBED C#CCO[C@H](C)C(=O)NCCN(CCO)C(=O)C(C)(C)F 1056779847 BTQUNRUXMZETQV-LLVKDONJSA-N 302.346 -0.290 30 20 DBED CN(c1ccc(C#N)nn1)[C@@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 1056998165 QSYILRDCADZUSH-NEPJUHHUSA-N 314.349 -0.479 30 20 DBED N#Cc1nccnc1N1CCCN(C(=O)[C@H]2COCCO2)CC1 1057091659 KLLXIMMAKAAGLV-CYBMUJFWSA-N 317.349 -0.198 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)[C@H](CC)N(C)C 1057194093 XZUUNJGLGLZKKT-ZDUSSCGKSA-N 315.414 -0.534 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)C[C@H]1COC(=O)C1 1057439306 HNJLJJCWMUNUSQ-CYBMUJFWSA-N 324.377 -0.320 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)[C@@H](COC)OC 1057445009 CICIGKUYHXEYJR-CYBMUJFWSA-N 314.382 -0.612 30 20 DBED C=CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)CSC 1057921764 ORQFYMWYWOCNIA-NSHDSACASA-N 304.412 -0.122 30 20 DBED Cn1ncc(C(=O)N[C@@H]2CCCN(c3cncc(C#N)n3)C2)n1 1058175128 BICLVLUXBBFBGB-SNVBAGLBSA-N 312.337 -0.124 30 20 DBED CN1CCOC[C@@H]1C(=O)N[C@H]1CCN(c2ccc(C#N)cn2)C1 1058319493 VSJYUNHTIYQCIA-UONOGXRCSA-N 315.377 -0.021 30 20 DBED N#Cc1ccc(N[C@H]2CCN(C(=O)[C@@H]3COCCO3)C2)nn1 1058846369 RBCYKNVZROJQRF-RYUDHWBXSA-N 303.322 -0.224 30 20 DBED Cn1ncc(C(=O)N2CC[C@H](Nc3ccc(C#N)nn3)C2)c1N 1058877693 BUQMJQUHQAKDHU-JTQLQIEISA-N 312.337 -0.009 30 20 DBED N#Cc1ccc(N[C@H]2C[C@H](NC(=O)[C@H]3CC[C@H]3C(N)=O)C2)nn1 1059368310 NRPBXUBMGMWYGJ-KKOKHZNYSA-N 314.349 -0.081 30 20 DBED C=CCOCC(=O)NCC[C@@H]1CCN(C(=O)c2cn(C)nn2)C1 1059585486 DQVRGYOMIGWBFX-GFCCVEGCSA-N 321.381 -0.014 30 20 DBED CC(=O)N1CC(C(=O)N[C@H]2C[C@@H](Nc3nccnc3C#N)C2)C1 1059614990 CFLVTKBYJCGTMG-TXEJJXNPSA-N 314.349 -0.114 30 20 DBED C#CCCCC(=O)NCC[C@H]1CCN(C(=O)Cn2ncnn2)C1 1059695290 JUKRNPISSGEHBE-ZDUSSCGKSA-N 318.381 -0.169 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)CCn1cccn1 1061313945 PRRMGGNGPZYPIM-STQMWFEESA-N 319.365 -0.224 30 20 DBED CO[C@H](C)C(=O)NC[C@H]1COCCN1C(=O)c1c[nH]c(C#N)c1 1061365520 BSFOWQJQXGFLIE-MFKMUULPSA-N 320.349 -0.122 30 20 DBED C=C(C)CCC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1CCC(=O)N1 1061629181 NZTYUBPCVVTQPZ-OLZOCXBDSA-N 323.393 -0.035 30 20 DBED C=CCCC(=O)N1CCOC[C@H]1CNC(=O)CNC(=O)NC 1061647313 YUSZVXUVPDRYIP-LLVKDONJSA-N 312.370 -0.775 30 20 DBED C=CC(C)(C)C(=O)NC[C@H]1COCCN1C(=O)CNC(C)=O 1061753355 XXHVZWBHPYKILW-LBPRGKRZSA-N 311.382 -0.322 30 20 DBED C=CCO[C@H](C)C(=O)NC1(CNC(=O)CNC(C)=O)CCC1 1062412768 CITONJAAUDOHQX-LLVKDONJSA-N 311.382 -0.131 30 20 DBED C=CCCOCC(=O)NCC1(NC(=O)[C@@H]2CCNC2=O)CCC1 1063425302 CVQMHTXFNSZCNI-GFCCVEGCSA-N 323.393 -0.130 30 20 DBED C[C@H](N=c1cc[nH]c(C#N)n1)[C@H]1CCCN(C(=O)C(N)=O)C1 1063904416 LAZHFAXSGWKRRS-UWVGGRQHSA-N 302.338 -0.706 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H]1CN(C(=O)COCC)CCO1 1064807329 XSLVVMCWFVENGB-OLZOCXBDSA-N 312.366 -0.595 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)[C@@H](C)OCC)CCO1 1064890384 AFYGGNMANHRSLA-OLZOCXBDSA-N 314.382 -0.042 30 20 DBED Cc1ncc(C(=O)N2CCO[C@H](CNC(=O)[C@H](C)C#N)C2)[nH]1 1064978640 WRLYDPCTABLHGE-MWLCHTKSSA-N 305.338 -0.165 30 20 DBED CCn1nncc1C(=O)N1CCO[C@H](CNC(=O)[C@@H](C)C#N)C1 1065117414 NXBBUYDWPUZGSM-WDEREUQCSA-N 320.353 -0.585 30 20 DBED CC(C)C#CC(=O)N1CCO[C@H](CNC(=O)[C@@H](C)CC(N)=O)C1 1065126461 QBRATGRTWZMDKW-QWHCGFSZSA-N 323.393 -0.499 30 20 DBED C=C(C)CCC(=O)N1CCO[C@H](CNC(=O)CC(=O)NC)C1 1065219625 CEBJCYFJKXDZIW-GFCCVEGCSA-N 311.382 -0.178 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H]1CCCN(C(=O)c2cnn[nH]2)CC1 1066170847 YRBJMJZEGIUCPZ-RYUDHWBXSA-N 319.365 -0.046 30 20 DBED C=CCOCC(=O)N(C)CCCN(C)C(=O)c1ncn(C)n1 1066998799 DULGNOOKXUSLKW-UHFFFAOYSA-N 309.370 -0.062 30 20 DBED N#Cc1nccnc1N1C[C@@H]2C(CNC(=O)c3cnon3)[C@H]2C1 1068180316 HDECXODQGQRENV-NXEZZACHSA-N 311.305 -0.157 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1COC2(C1)CN(C(=O)c1cnon1)C2 1069003177 KSOMGQCUCYANED-BDAKNGLRSA-N 305.294 -0.671 30 20 DBED CC[C@H](C(=O)N1C[C@H](n2ccnn2)[C@H](NCC#N)C1)N(C)C 1070217546 HWWBMQCQNMROEX-UPJWGTAASA-N 305.386 -0.517 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(NC(=O)[C@H](C)C#N)CCOCC1 1070232010 AENFRVMBIZKKOK-OLZOCXBDSA-N 321.377 -0.034 30 20 DBED C=C(Cl)CN[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1n1ccnn1 1070297678 KUZYDEQPWCEYGN-ZJUUUORDSA-N 322.760 -0.196 30 20 DBED C=CCOCC(=O)N1C[C@@H](C)[C@@H](NC(=O)c2nccnc2N)C1 1071808400 HFKIDPDDJFXZCX-MNOVXSKESA-N 319.365 -0.162 30 20 DBED C[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@@H]1NC(=O)c1nnn(C)n1 1072064064 SNFILVJFIZVVKS-MNOVXSKESA-N 318.381 -0.164 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1 1073605467 LIOHOXAYBUOBEA-HZSPNIEDSA-N 307.394 -0.259 30 20 DBED C#CCN1CCC(C(=O)N2CC[C@H](N[C@H](C)C(N)=O)[C@@H]2C)CC1 1075128628 OXRNIASSTFRXKK-IPYPFGDCSA-N 320.437 -0.216 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H](C)CCNC(=O)c1cnn(CC)n1 1076381184 JNSZVLLLEWNVHG-RYUDHWBXSA-N 321.381 -0.039 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCS(=O)(=O)C2)C1 1077771103 WWYCQIJCROUTFR-YNEHKIRRSA-N 316.423 -0.451 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)Cc2ccccc2NC(C)=O)C1 1077862771 SDFCWJVVRYAEHM-HZPDHXFCSA-N 315.373 -0.018 30 20 DBED C=CCCOCC(=O)N1CC(N(CC)C(=O)[C@H]2C[C@H]2C(N)=O)C1 1080565610 OXASVJVONJBNMP-OLZOCXBDSA-N 323.393 -0.240 30 20 DBED C#CCOCCC(=O)N1C[C@H](O)[C@H](CNC(=O)C(F)F)C1 1081161274 NSABPZLPWHTNNW-ZJUUUORDSA-N 304.293 -0.773 30 20 DBED C#CCCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2cnsn2)C1 1081299490 FQFZSMLVJHTEEH-ZYHUDNBSSA-N 322.390 -0.109 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)c2cnn(CC)n2)C[C@@H]1O 1081335779 PJBNYCZSADASGE-AAEUAGOBSA-N 321.381 -0.187 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)CC(=O)N(C)C)C[C@H]1O 1081337604 GZRVEWXDBAVTMM-NWDGAFQWSA-N 311.382 -0.634 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@H](CNC(=O)Cc2ccoc2)C1 1081428878 XHFKHWURMRANMM-KGLIPLIRSA-N 322.361 -0.040 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)c2cnnn2C)C[C@@H]1O 1081462950 HZTWKUGLWNSFQN-YPMHNXCESA-N 319.365 -0.976 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)CCN(C)C)C[C@@H]1O 1081466363 SFGSTJYUSRTZMS-KBPBESRZSA-N 309.410 -0.467 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)CN2CCCC2)C1 1081501099 YINWCUUFHKHOAD-ZIAGYGMSSA-N 309.410 -0.016 30 20 DBED CC(=O)N1CCC(C(=O)N2CCO[C@@H]3CN(CC#N)C[C@@H]32)CC1 1083270072 LGSWCGWGLSAFAQ-LSDHHAIUSA-N 320.393 -0.320 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2c(OC)ccnc2OC)C1 1083635402 RPBOVSIVXZPOBF-MNOVXSKESA-N 305.334 -0.493 30 20 DBED Cn1cc([C@@H]2CN(C(=O)[C@H]3COCCO3)C[C@H]2NCC#N)cn1 1086968787 MVRPLQMLWJQZKY-BFHYXJOUSA-N 319.365 -0.757 30 20 DBED CNC(=O)NCC(=O)N[C@H](C)C[C@@H](C)Nc1cnc(C#N)cn1 1089501563 ZVGFTFCBFFXQIP-NXEZZACHSA-N 319.369 -0.028 30 20 DBED C#CCN1CC[C@H](NC(=O)C(C)(C)N2CCOCC2)[C@@H](O)C1 1090639913 FNAVKQUQZOZBEZ-KBPBESRZSA-N 309.410 -0.718 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)c2ccc(=O)n(C)n2)[C@H](O)C1 1090791912 XKWHCQXNMUZPPT-WCQYABFASA-N 306.366 -0.479 30 20 DBED CN(C)CCC(=O)N[C@H]1CCN(c2ncccc2C#N)C[C@H]1O 1092173280 KJGFQJHZKKJZKG-UONOGXRCSA-N 317.393 -0.039 30 20 DBED CNC(=O)NCC(=O)N1CCN(c2ncc(C#N)cc2F)CC1 1093202433 SEYRXHSVHUYQCT-UHFFFAOYSA-N 320.328 -0.330 30 20 DBED CC(=O)N[C@H](C)C(=O)NC1[C@@H]2CN(c3nccnc3C#N)C[C@@H]12 1093207237 DNCKUEQGXFLLJX-FBIMIBRVSA-N 314.349 -0.576 30 20 DBED CN(C)CCC(=O)NC1[C@H]2CN(c3ccc(C#N)nn3)C[C@H]12 1093342628 PVEFAJSURZQYHB-RYUDHWBXSA-N 300.366 -0.149 30 20 DBED C[C@]1(C(=O)NCCNc2cnc(C#N)cn2)CCC(=O)NC1 1094059819 YNCRLLFKOKDCGO-AWEZNQCLSA-N 302.338 -0.207 30 20 DBED C=CCCN1CC(N2C[C@H](NC(=O)c3cn(C)nn3)CC2=O)C1 1094729751 JPWKTWRBORSQGQ-LLVKDONJSA-N 318.381 -0.594 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)c3cnn(C)n3)CC2=O)C1 1094795045 GATRLQJQVGGQPC-SNVBAGLBSA-N 304.354 -0.984 30 20 DBED N#Cc1cccnc1N1CCC[C@@H](NC(=O)CNC(N)=O)C1 1096136303 HJAZUGNPNRJPRT-LLVKDONJSA-N 302.338 -0.293 30 20 DBED CNC(=O)NCCC(=O)N[C@H]1CCN(c2ccnc(C#N)n2)C1 1096368240 BVPGUSVDHJJNKQ-JTQLQIEISA-N 317.353 -0.638 30 20 DBED COC(=O)NCC(=O)N1CC[C@H](N=c2cc[nH]c(C#N)n2)C1 1096920791 FIBRHUQQLWMBEW-VIFPVBQESA-N 304.310 -0.861 30 20 DBED N#Cc1cnc(N2CCC[C@H](CNC(=O)CNC(N)=O)C2)cn1 1097287202 YDRQTJHBKHOZRV-SNVBAGLBSA-N 317.353 -0.651 30 20 DBED CCN1C[C@H](C(=O)N2CCC(N(CC#N)CCO)CC2)CC1=O 1098384232 OBMVOYLNLVYQEE-CYBMUJFWSA-N 322.409 -0.336 30 20 DBED N#Cc1cnc(N[C@@H]2CCC[C@@H](NC(=O)CNC(N)=O)C2)cn1 1098590295 RSHJWXXWNNHCSO-NXEZZACHSA-N 317.353 -0.144 30 20 DBED C#CCNCc1cn([C@H]2CCN(C(=O)c3cnon3)C2)nn1 1098751310 KRYNLJAFYHRQKS-NSHDSACASA-N 301.310 -0.529 30 20 DBED C[C@H](CCNC(=O)[C@H]1COCCO1)N=c1cc[nH]c(C#N)n1 1098901906 WXQNAGBCRHLXIO-GHMZBOCLSA-N 305.338 -0.508 30 20 DBED CC(=O)N1CCO[C@@H](C(=O)N[C@]23CCC[C@H]2CN(CC#N)C3)C1 1099142979 GLJAQUOLSNXIJD-LZWOXQAQSA-N 320.393 -0.272 30 20 DBED C=CCCCCCN1CC[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 1099665752 LRXXPEGVPSWXBC-OLZOCXBDSA-N 312.414 -0.048 30 20 DBED C[C@H](CCNC(=O)[C@@H]1CNC(=O)N1)Nc1ccc(C#N)cn1 1099682107 AMWSFGZQNKNYOH-KOLCDFICSA-N 302.338 -0.059 30 20 DBED C=C(Cl)CN1CC[C@H](NC(=O)CS(C)(=O)=O)[C@H](O)C1 1099718377 LTHPMTUGUBGUQH-VHSXEESVSA-N 310.803 -0.665 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(CC(=O)N(C)CC)C[C@H]1O 1099741314 QTBWGHPPFKMSSG-CHWSQXEVSA-N 313.398 -0.781 30 20 DBED COCC#CCN1CC[C@H](NC(=O)C2=CCOCC2)[C@H](O)C1 1099785909 JXTGFXCRTCFGCQ-LSDHHAIUSA-N 308.378 -0.466 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CCN(CCn2cccn2)C[C@@H]1O 1099827669 YHPPBTHMLHKMCS-CABCVRRESA-N 302.378 -0.152 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)c2cn(C)c(O)n2)[C@@H](O)C1 1099994214 MQSUBFPUOGKHPG-YPMHNXCESA-N 324.381 -0.507 30 20 DBED CN(CCNC(=O)[C@@H]1COCCN1C)c1cnc(C#N)cn1 1100028234 LDTQOWDEFRAOKR-LBPRGKRZSA-N 304.354 -0.769 30 20 DBED C[C@H]1C[C@@H](C(=O)NCCN(C)c2cnc(C#N)cn2)CC(=O)N1 1100211481 ORFUCMUIGALGOK-WDEREUQCSA-N 316.365 -0.185 30 20 DBED CN(CCNC(=O)[C@@H]1CC[C@@H]1C(N)=O)c1cncc(C#N)n1 1100269331 VIJUAPXGMFBPAO-WDEREUQCSA-N 302.338 -0.588 30 20 DBED CN(CCNC(=O)CN1CCCNC1=O)c1ncccc1C#N 1100408392 HUHBZAGOONOYLH-UHFFFAOYSA-N 316.365 -0.079 30 20 DBED CCN(CCNC(=O)[C@H](C)NC(N)=O)c1ncccc1C#N 1100500834 DHWKNFZQINVTES-JTQLQIEISA-N 304.354 -0.047 30 20 DBED C=C(C)CNC1CC(CNC(=O)CNS(=O)(=O)NC)C1 1100537301 OHGAFMLHKAXDMH-UHFFFAOYSA-N 304.416 -0.899 30 20 DBED CCCN(CCNC(=O)CC(=O)NC)c1ccc(C#N)nn1 1101127034 ZDUNJKGAAKEDKX-UHFFFAOYSA-N 304.354 -0.183 30 20 DBED N#Cc1cnc(N(CCNC(=O)[C@@H]2CNC(=O)N2)C2CC2)cn1 1101432930 RIQMUCGIWCGADI-NSHDSACASA-N 315.337 -0.885 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1CNC(=O)[C@H]1CCCOC1 1101807460 AZBRZGGNTCWDLK-HZSPNIEDSA-N 322.409 -0.263 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)c2ncc[nH]2)C1 1101940468 FPMXDYPYMXSFHR-VXGBXAGGSA-N 303.366 -0.543 30 20 DBED Cc1cc(C#N)nc(NCC2(NC(=O)C(N)=O)CCCC2)n1 1103458493 YEWNJZIUYWYEQC-UHFFFAOYSA-N 302.338 -0.017 30 20 DBED CCn1cc(C(=O)NC[C@H](C)CN=c2cc[nH]c(C#N)n2)nn1 1104064141 STOJZMHXWQKWIO-SNVBAGLBSA-N 314.353 -0.140 30 20 DBED C[C@@H](CNc1nccnc1C#N)N(C)C(=O)CCNC(N)=O 1104565490 SOOYOJJHNGTSSB-VIFPVBQESA-N 305.342 -0.335 30 20 DBED CNC(=O)NCC(=O)N(C)[C@H](C)CNc1cnc(C#N)cn1 1104855702 ABXGBVSHMXWFGW-SECBINFHSA-N 305.342 -0.464 30 20 DBED N#CCNCc1cn(C2CN(C(=O)CO[C@H]3CCOC3)C2)nn1 1105238423 ZHKIFAUAQJKWAU-ZDUSSCGKSA-N 320.353 -0.920 30 20 DBED CC(=O)NCC(=O)N1C[C@@]2(C[C@@H](O)[C@H](NCC#N)C2)[C@@H]1C(C)C 1105587326 FWRINCJDMNGSMK-LUYZLQTOSA-N 322.409 -0.388 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)C2CCOCC2)nn1 1105701351 WLXLCOUSWCNHNF-LBPRGKRZSA-N 305.338 -0.336 30 20 DBED CCN(C)C(C)(C)C(=O)NC[C@@H](O)CNc1ccc(C#N)nn1 1106010567 BTIIMBNOOXNHFW-LBPRGKRZSA-N 320.397 -0.032 30 20 DBED CCNC(=O)CCC(=O)N[C@@H](C)CCN=c1cc[nH]c(C#N)n1 1106239747 XRIWHTVHGOYZEA-NSHDSACASA-N 318.381 -0.007 30 20 DBED CCN(CCNc1ccc(C#N)nn1)C(=O)[C@H]1C[C@H]1C(N)=O 1106951953 KVQCZIAWUFYHKE-MNOVXSKESA-N 302.338 -0.270 30 20 DBED Cn1ncc(C(=O)NC/C=C\CN=c2cc[nH]c(C#N)n2)c1N 1107139903 UTDMPBIIEIPEIL-IHWYPQMZSA-N 312.337 -0.516 30 20 DBED COCC#CCN1CCO[C@@](C)(CNC(=O)C2=COCCO2)C1 1107715762 SGWSFABFBOHGJL-INIZCTEOSA-N 324.377 -0.269 30 20 DBED CCN1CCO[C@@H](C(=O)N[C@H](C)CNc2cncc(C#N)n2)C1 1107775945 JPIMEHUPDSZPTI-DGCLKSJQSA-N 318.381 -0.014 30 20 DBED CCN1CCOC[C@H]1C(=O)NC[C@]1(C)CN(CC#N)CCO1 1108039685 FEUAKQBGZVALJZ-DZGCQCFKSA-N 310.398 -0.562 30 20 DBED CC#CCN1CCO[C@@](C)(CNC(=O)[C@H]2CCC(=O)NC2)C1 1108043160 FFWKBPKTIOGMJG-BBRMVZONSA-N 307.394 -0.257 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)[C@@H]2CN(CC)CCO2)C1 1108409935 MNROWRUQOOULJO-GOEBONIOSA-N 309.410 -0.453 30 20 DBED CCN1CCO[C@@H](C(=O)NC[C@]2(C)CN(CC#N)CCO2)C1 1108411114 WFRVCOSNCJCGSX-UKRRQHHQSA-N 310.398 -0.562 30 20 DBED C#CCCN1CCO[C@@](C)(CNC(=O)C(C)(C)NC(=O)NC)C1 1108417518 CPRPRJUHMJRSAV-INIZCTEOSA-N 324.425 -0.076 30 20 DBED C#CCOCCC(=O)N[C@H]1CC(=O)N(C2CN(CC3CC3)C2)C1 1108545743 DYPHRHYOGZRUBC-AWEZNQCLSA-N 319.405 -0.162 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)CCCC(N)=O)CC2=O)C1 1108595623 UCMUDBIFXULINV-NSHDSACASA-N 308.382 -0.771 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)COCC)C2 1108611167 TZUILFTVPUWBCA-IHRRRGAJSA-N 307.394 -0.259 30 20 DBED C[C@@H](CN=c1cc[nH]cc1C#N)NC(=O)CCS(C)(=O)=O 1108773866 SNBDRBMBFUQYBP-JTQLQIEISA-N 310.379 -0.274 30 20 DBED CNC(=O)CC(=O)N[C@@]1(C)CCN(c2ccnc(C#N)n2)C1 1110745974 VDJLAAREVSNZBA-AWEZNQCLSA-N 302.338 -0.431 30 20 DBED CCO[C@@H](C)C(=O)NC[C@]1(O)CCN(c2cncc(C#N)n2)C1 1111029973 VJIDNQMCJTYQBN-XHDPSFHLSA-N 319.365 -0.169 30 20 DBED N#Cc1nc(=NCCN(CCO)C(=O)c2cccnc2)cc[nH]1 1111421844 YTUYUQQVKFJTJH-UHFFFAOYSA-N 312.333 -0.288 30 20 DBED C=CCOCC(=O)N(CCO)CCNc1ccc(C#N)nn1 1111445275 UOMKUHOKJLSBLV-UHFFFAOYSA-N 305.338 -0.216 30 20 DBED N#Cc1nccnc1NCCN(CCO)C(=O)c1nc[nH]n1 1111496482 IUOYAQQFNXGWBL-UHFFFAOYSA-N 302.298 -0.987 30 20 DBED CNC(=O)CC(=O)N[C@H]1CCCN(c2cncc(C#N)n2)CC1 1111983233 HXBYOFYVLXRMEG-NSHDSACASA-N 316.365 -0.041 30 20 DBED CCOCC(=O)N1C[C@@H]2CCC[C@]2(CNCC(=O)NCC#N)C1 1112244935 RWXDOONVFMSTOA-BBRMVZONSA-N 322.409 -0.119 30 20 DBED C=CCOCC(=O)N1CCN(C[C@H]2CCS(=O)(=O)C2)CC1 1112708741 VKDNUQOPXLTCLZ-CYBMUJFWSA-N 316.423 -0.232 30 20 DBED CNC(=O)NCC(=O)NC1CC(CN=c2cc[nH]c(C#N)n2)C1 1112873921 GJOBOUIMVQANKF-UHFFFAOYSA-N 317.353 -0.994 30 20 DBED C[C@@H](NC(=O)CCNC(N)=O)[C@@H](C)Nc1cncc(C#N)n1 1113038263 CQCNDNWFAGHLOE-RKDXNWHRSA-N 305.342 -0.288 30 20 DBED C=C(C)CN(CC)C(=O)CN1CCN(C(=O)c2cnn[nH]2)CC1 1113062351 XJKUYGLKICMMHV-UHFFFAOYSA-N 320.397 -0.013 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)Cc2ccc[nH]2)CC1 1113659780 FPCCJAIKVASCFJ-CYBMUJFWSA-N 302.378 -0.161 30 20 DBED C[C@H](CNC(=O)C1(C(N)=O)CC1)N(C)c1ccc(C#N)nn1 1113845873 STDVBEIDOVCQQD-SECBINFHSA-N 302.338 -0.445 30 20 DBED C[C@H](CNC(=O)[C@@H]1CNC(=O)N1)N(C)c1ccc(C#N)cn1 1113868880 DONUSOZCNRTNMB-KOLCDFICSA-N 302.338 -0.424 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3ccc(F)nc3)[C@H]2C1 1114050657 GULMMLOUTXFTCX-JYAVWHMHSA-N 316.336 -0.370 30 20 DBED C=CCOCC(=O)N[C@H]1[C@@H]2CN(Cc3ncnn3CCF)C[C@@H]21 1114054328 NIGXPCNJFGTMJY-JYAVWHMHSA-N 323.372 -0.003 30 20 DBED C=CCOCC(=O)NC1[C@H]2CN(CC(=O)N3CCOCC3)C[C@H]12 1114055042 RYYYLSHMPOUYGP-STQMWFEESA-N 323.393 -0.906 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)c3cc(OC)no3)[C@H]2C1 1114155407 LDNJNPYFUJSYSY-UWVGGRQHSA-N 320.349 -0.355 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@H]3CCCOCC3)[C@H]2C1 1114189374 NTZBLCDYCKGXPC-TTZDDIAXSA-N 319.405 -0.401 30 20 DBED N#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@@]34CCC[C@@H]3C4)[C@H]2C1 1114588945 BPKWIUBNFXODSO-APLFDDQLSA-N 302.378 -0.137 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@@H](C(C)C)N(C)C)[C@H]2C1 1114794416 INEBREYXSGNORW-BFJAYTPKSA-N 320.437 -0.632 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N[C@H]1CCN(C(C)(C)C)C1=O 1118158382 OKDJQCVGLCKJIL-MNOVXSKESA-N 311.382 -0.181 30 20 DBED CC(=O)NCC(=O)NC[C@H](CO)Nc1nc(C)ccc1C#N 1121129546 TVCSHJSBCUTDJX-GFCCVEGCSA-N 305.338 -0.713 30 20 DBED CCC(=O)NCC(=O)NC[C@@H](CO)Nc1ccc(C#N)nc1 1121242517 QIJUUGHWPHEDIF-LBPRGKRZSA-N 305.338 -0.632 30 20 DBED Cc1cncc(C(=O)NC[C@H](CO)N=c2cc[nH]c(C#N)n2)c1 1121242933 SRZSDIMKIKJLCK-GFCCVEGCSA-N 312.333 -0.324 30 20 DBED C[C@H](C(=O)NC[C@@H](CO)Nc1ccc(C#N)nn1)n1cncn1 1121346084 JYGOMSSWMTZARD-KOLCDFICSA-N 316.325 -0.910 30 20 DBED N#Cc1cccnc1N[C@H](CO)CNC(=O)CC1OCCCO1 1121359564 KBEGEPWUASAHEL-LBPRGKRZSA-N 320.349 -0.005 30 20 DBED Cn1ccc(C(=O)NC[C@H](CO)Nc2ccc(C#N)nc2)n1 1121581457 PRTCUNYQQBBBHD-GFCCVEGCSA-N 300.322 -0.110 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H](CO)Nc2nccnc2C#N)nc1 1121847798 ROFPXMHMGRMBAV-LBPRGKRZSA-N 322.328 -0.073 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)CO[C@H]2CCOC2)cn1 1122070818 OISZXGZUDOXMHA-KBPBESRZSA-N 320.349 -0.352 30 20 DBED Cc1cc(C#N)nc(N[C@@H](CO)CNC(=O)c2cncn2C)n1 1122218494 HECLOLJJRGBHJA-LLVKDONJSA-N 315.337 -0.407 30 20 DBED CCOCCCNC(=O)[C@@H](C#N)C(=O)[C@@H]1CC[C@H](C(N)=O)O1 1122515820 MOCCWNSBSUBSQW-GARJFASQSA-N 311.338 -0.729 30 20 DBED CN(C[C@H](O)CNc1nccnc1C#N)C(=O)c1ccn(C)n1 1124353374 WBBCAUCTDRORFF-SNVBAGLBSA-N 315.337 -0.373 30 20 DBED CN(C[C@@H](O)CNc1cnc(C#N)cn1)C(=O)[C@@]1(F)CCOC1 1124665110 HNHIKNOESYPRBF-SMDDNHRTSA-N 323.328 -0.292 30 20 DBED C[C@@H](C#N)C(=O)NCCNCCN1C(=O)NC2(CCCC2)C1=O 1124904382 ZXXHEZOLTNETRX-NSHDSACASA-N 321.381 -0.284 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)c2nccnc2N)C1=O 1125034364 QHSIZOUCKMSHIL-JTQLQIEISA-N 304.354 -0.835 30 20 DBED COCCC(=O)NCCN(CCOC)c1ccnc(C#N)n1 1126162440 ZGSUURQSCWEGOA-UHFFFAOYSA-N 307.354 -0.046 30 20 DBED N#Cc1cccnc1N1CC=C(CNC(=O)Cn2ncnn2)CC1 1127699131 CAFPSQRPHMNHNS-UHFFFAOYSA-N 324.348 -0.107 30 20 DBED C#CCCCC(=O)NCc1cnn2c1CN(CC(=O)NC)CC2 1128327259 MMWXSGKCEXAEKK-UHFFFAOYSA-N 317.393 -0.136 30 20 DBED COCC(=O)NCCC(=O)NCCNCc1ccc(C#N)s1 1128686558 SFQKHLJICLAYSS-UHFFFAOYSA-N 324.406 -0.022 30 20 DBED CO[C@H](C(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1)C1CCC1 1129139502 LEYNEPKTLFSJKY-RDBSUJKOSA-N 318.381 -0.042 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H](CC)NC(C)=O)C1 1129281187 WAKKDDHWNVZHHA-MCIONIFRSA-N 318.381 -0.833 30 20 DBED C=CCN1CC[C@H](c2n[nH]cc2CNC(=O)Cn2ncnn2)C1 1130388922 DLUOFWUUHIDACI-NSHDSACASA-N 316.369 -0.312 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1cc(C)nnc1CC 1130454277 QMCJXLTYIHQHRC-GFCCVEGCSA-N 317.393 -0.195 30 20 DBED C=CCNC(=O)CNCCNC(=O)C(=O)Nc1ccccc1 1130795630 FJHNBVNFADMTEM-UHFFFAOYSA-N 304.350 -0.367 30 20 DBED C#CCN1CCN([C@H]2CCCN(C(=O)CCOC)C2)C(=O)C1 1131703612 FQUUDBJZCJBJCU-AWEZNQCLSA-N 307.394 -0.209 30 20 DBED C[C@H]1CC[C@@H](NC(=O)Cn2ccnc2)CN1CC(=O)NCC#N 1132533231 KKBKOGNTOPWQCN-QWHCGFSZSA-N 318.381 -0.508 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)c1ocnc1CC 1133583944 IQVUYGOTGIDBKE-UHFFFAOYSA-N 323.353 -0.432 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1cc(C(F)F)[nH]n1 1133667234 BHVGHDUCWPZDIS-QMMMGPOBSA-N 313.308 -0.195 30 20 DBED C=CCCN[C@@H](C)C[C@@H](C)NC(=O)Cn1cnc(C(N)=O)n1 1134399097 KCLULXXDLNTZJG-WDEREUQCSA-N 308.386 -0.174 30 20 DBED C=CCCn1cc(C(=O)NCCN[C@H](C)c2nnnn2C)nn1 1135075340 GMGWMGZIQRXRKG-SNVBAGLBSA-N 319.373 -0.542 30 20 DBED C=CCCN[C@H](C)C[C@@H](C)NC(=O)CNS(=O)(=O)N(C)C 1135568315 LDUMGLUAPRCKHV-VXGBXAGGSA-N 320.459 -0.169 30 20 DBED CO[C@@H](C(=O)N1CC2(CCN(CC(=O)NCC#N)C2)C1)C(C)C 1148209818 AZOZWAOSCMHZFA-CQSZACIVSA-N 322.409 -0.169 30 20 DBED C=CCOCCNCCNC(=O)c1cccc(C(=O)NC)n1 1149463455 BWMZZKVOXPLJHF-UHFFFAOYSA-N 306.366 -0.037 30 20 DBED CCNC(=O)CN1CCCO[C@H](CNC(=O)C#CC(C)C)C1 1149674276 VKBVBGJDRSPOHU-CQSZACIVSA-N 309.410 -0.011 30 20 DBED C#CCCN1CCCO[C@@H](CNC(=O)C[C@@H]2CCNC2=O)C1 1149853610 BYVMHFJJZMRMKD-KBPBESRZSA-N 307.394 -0.257 30 20 DBED C[C@H](C(=O)NC[C@@H]1CN(CC#N)CCCO1)S(C)(=O)=O 1149903191 KYOPJERIWVHDIJ-GHMZBOCLSA-N 303.384 -0.850 30 20 DBED CCN(CCCN1C(=O)CNC1=O)[C@H](C)CNC(=O)[C@H](C)C#N 1152412703 CNFWDFDRQJMLMC-VXGBXAGGSA-N 323.397 -0.085 30 20 DBED C=CCO[C@@H](C)C(=O)NCCN[C@@H](C)C(=O)NC(=O)NCC 1153097962 XQKZMARHAZIAFW-QWRGUYRKSA-N 314.386 -0.483 30 20 DBED C#CCNC(=O)CC(=O)NCCCNCC(=O)N[C@H](C)CC 1156857514 RTKPLRGQENKNNV-GFCCVEGCSA-N 310.398 -0.864 30 20 DBED C#CCNC(=O)CN1CC=C(CCNC(=O)c2nc[nH]n2)CC1 1161497036 PNOPWGWKLARLHR-UHFFFAOYSA-N 316.365 -0.694 30 20 DBED C#CCNC(=O)CNCC1(CCNC(=O)c2cc(C)[nH]n2)CC1 1163620782 MMXCUSGNTWWRIX-UHFFFAOYSA-N 317.393 -0.043 30 20 DBED C=CCNC(=O)CNCCCNC(=O)CNC(=O)c1ccco1 1175254040 MFTSAUVEHRRNHX-UHFFFAOYSA-N 322.365 -0.593 30 20 DBED Cc1nn(C)cc1C(=O)N1CC[C@@H](NCC(=O)NCC#N)C1 1181717034 ZDRDTBFFPZNMBW-LLVKDONJSA-N 304.354 -0.828 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)CC2(COC)CC2)C1 1182472972 MMOLQAWPTMAIPE-CYBMUJFWSA-N 307.394 -0.257 30 20 DBED CCOCC1(C(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)CC1 1183751331 KCLRXXBZRBWLKA-GFCCVEGCSA-N 308.382 -0.367 30 20 DBED CO[C@@H](CC(C)C)C(=O)N1CC[C@@H](NCC(=O)NCC#N)C1 1185476348 BHJWKGVLKJLYNP-OLZOCXBDSA-N 310.398 -0.122 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)C(C)(C)NC(C)=O)C1 1186384439 NGUQDFIDTSGTCH-GFCCVEGCSA-N 310.398 -0.606 30 20 DBED C#CCCCC(=O)N1CC[C@H](N(C)CCN2C(=O)CNC2=O)C1 1189927457 YFCFZOQUQXMNCF-ZDUSSCGKSA-N 320.393 -0.126 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@@H](N(C)Cc2nc(O)n[nH]2)C1 1190105631 POEJNBMVSIWSME-GHMZBOCLSA-N 307.354 -0.419 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)C(C)(C)F)C1 1190650788 AJNLCZQMRHOMSF-GMTAPVOTSA-N 301.362 -0.414 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CN(CC(=O)NCC2CCC2)C[C@H]1O 1191854446 MVBSSICQGAFKCS-CYZMBNFOSA-N 308.382 -0.776 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)N1CC[C@H](N(C)CC(=O)NC)C1 1192687405 GHBSNAHJEPQFDS-KBPBESRZSA-N 324.425 -0.264 30 20 DBED Cc1c[nH]c(C(=O)N2CC[C@H](N(C)CC(=O)NCC#N)C2)n1 1192767557 XVGPJJCEZMCSNP-NSHDSACASA-N 304.354 -0.496 30 20 DBED CN(C)CCCC(=O)N1CCCN(CC(=O)NCC#N)CC1 1196970834 ZBCLZUVMCCYJOU-UHFFFAOYSA-N 309.414 -0.498 30 20 DBED COCCCNC(=O)CCC(=O)N1CCCN(CC#N)CC1 1197777469 IUWJUXKJXUATGR-UHFFFAOYSA-N 310.398 -0.023 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)CNC(=O)c2cccs2)C1 1198352090 AUFOJSVYHJULPK-GHMZBOCLSA-N 307.375 -0.728 30 20 DBED N#CCNC[C@@H]1CN(C(=O)COC[C@H]2CCCO2)CCCO1 1202243391 KWKCKYYHVMAHCR-ZIAGYGMSSA-N 311.382 -0.087 30 20 DBED N#CCNC(=O)CN[C@H]1C[C@H]2CC[C@H]1N(C(=O)c1ccon1)C2 1204049749 GFIQIQDOFWBCRL-KGYLQXTDSA-N 317.349 -0.103 30 20 DBED CC[C@@H](C(=O)N1CCC(CNCC(=O)NCC#N)CC1)N(C)C 1206302416 YLFSJPDMHHGWCU-AWEZNQCLSA-N 323.441 -0.205 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(CC(=O)NCC=C)C[C@H]1C 1206963487 GMJMHCMWSJDVSC-MGPQQGTHSA-N 307.394 -0.237 30 20 DBED C#CCCN1C[C@@H](NC(=O)CCS(=O)(=O)NC)[C@H](C)C1 1206965223 TYTRMWBJQFPTQS-VXGBXAGGSA-N 301.412 -0.615 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)c2nc[nH]n2)[C@H](C)C1 1209605972 DQZOTUDGXHQADL-OUAUKWLOSA-N 306.370 -0.455 30 20 DBED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)C[C@H]1CCCO1 1211924336 DCETUHRFTMAAEM-JHJVBQTASA-N 324.381 -0.989 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2cnsn2)C[C@H]1OC 1212257806 IXJGZEKBWDIFHR-RAIGVLPGSA-N 324.406 -0.108 30 20 DBED COCC#CCN1C[C@@H](NC(=O)CCc2cnc[nH]2)[C@H](OC)C1 1212383493 WNBXOTSPFUCUOM-HUUCEWRRSA-N 320.393 -0.193 30 20 DBED C[C@@H]1CN(C(=O)c2cc[n+]([O-])cc2)C[C@H]1NCC(=O)NCC#N 1214085492 UWENEVDEDHENBO-DGCLKSJQSA-N 317.349 -0.990 30 20 DBED C[C@@H]1CN(C(=O)[C@H]2CCCOC2)C[C@H]1NCC(=O)NCC#N 1214310493 AAZYNROGGUNVOO-FRRDWIJNSA-N 308.382 -0.511 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)CCOCC#C)C[C@H]1C 1214608964 RUGHFEFLKHCBLW-ZIAGYGMSSA-N 305.378 -0.788 30 20 DBED COCC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cncn1C 1218242441 ISXLAPNOQAFSKE-LSDHHAIUSA-N 318.377 -0.405 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2ccncc2)C1 1219097660 YGVLESDNTYGZPY-OLZOCXBDSA-N 304.350 -0.841 30 20 DBED COc1ncccc1CN1C[C@H](O)[C@H](NC(=O)[C@@H](C)C#N)C1 1219379261 PPXSOGYWJBIFCU-UHTWSYAYSA-N 304.350 -0.089 30 20 DBED C=CCCC1(C(=O)N[C@@H]2CN(CC(=O)N(C)C)C[C@@H]2O)CC1 1220281926 AUCSJWNZNKTCLQ-OLZOCXBDSA-N 309.410 -0.018 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)Cc2ccc[nH]2)C1 1221022979 WBQRJODNNHFXJI-YUTCNCBUSA-N 320.393 -0.591 30 20 DBED CC(C)C#CC(=O)N(C)C[C@H]1CCN1[C@H](C)C(=O)NC(N)=O 1234128190 BBBMPEAYILYISX-VXGBXAGGSA-N 308.382 -0.238 30 20 DBED C#CCC[C@H](O)CNC(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 1256503671 DANNAALABHVNFB-NEPJUHHUSA-N 317.411 -0.659 30 20 DBED C[C@H](C(=O)O[C@@H]1COC[C@H]1n1ccnn1)n1cnc(C#N)n1 1263519091 CHOBNAYNXCQNCU-OPRDCNLKSA-N 303.282 -0.514 30 20 DBED C[C@H](CC(N)=O)C(=O)N1CCCC[C@H]1CNCC(=O)NCC#N 1266874558 NOWJCFWWMDUIJR-NEPJUHHUSA-N 323.397 -0.892 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)Cc2cnn(C)c2C)C1 1316982171 JOJIBWHJVQDLNS-AWEZNQCLSA-N 317.393 -0.789 30 20 DBED C=CCNC(=O)CNC(=O)CCc1nc(-c2ncccn2)no1 1319869188 DDDGWJKWVSMJJV-UHFFFAOYSA-N 316.321 -0.122 30 20 DBED C#CCCCNC(=O)C(=O)Nc1ccc(=O)n(CCOC)c1 1320665165 XNWQENVONBDFOK-UHFFFAOYSA-N 305.334 -0.037 30 20 DBED CCC(=O)N1CC[C@H](NC(=O)C(=O)N2CC[C@@](F)(C#N)C2)C1 1323278202 NEALZNUZKTXDPL-IINYFYTJSA-N 310.329 -0.422 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@H]1CC[C@@H](OC)C1 1323587266 UCWQPPMINGLZPB-WDEREUQCSA-N 318.395 -0.613 30 20 DBED C=C(C)COCCNC(=O)C(=O)N[C@H](C)[C@@H]1CN(C)CCO1 1323863309 KYPZAYSLAKRONL-OLZOCXBDSA-N 313.398 -0.469 30 20 DBED C#CC[C@@H](CO)NC(=O)c1cnn2c1C[C@H](CNC(C)=O)CC2 1325084170 JPCDXXYQMGRWJH-OLZOCXBDSA-N 318.377 -0.304 30 20 DBED C#CCOCCNC(=O)N1CCN(C(=O)N2CCOCC2)CC1 1325286503 XZKOANGVPOKEEZ-UHFFFAOYSA-N 324.381 -0.584 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N[C@H](C)Cn2cccn2)nn1 1326235613 HACSWSVAANOANZ-LLVKDONJSA-N 317.353 -0.518 30 20 DBED Cc1cc(NC(=O)C(=O)NC[C@H](O)CN(C)C)ncc1C#N 1326744293 RGGZYYAFGMJAHF-NSHDSACASA-N 305.338 -0.761 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N[C@@H]1CCCN(C)C1=O 1331047106 ICSUMENMYRDIMZ-GFCCVEGCSA-N 309.366 -0.778 30 20 DBED CC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)N1CC[C@@](F)(C#N)C1 1331473986 TZJNTSUHIVDDPN-SWLSCSKDSA-N 324.356 -0.032 30 20 DBED C[C@@H]1CCOCCN1C(=O)C(=O)N1CCN(CCC#N)CC1 1336392424 BUFKUFWUNHOYKV-CYBMUJFWSA-N 308.382 -0.318 30 20 DBED C=C[C@H]1CCCCN1C(=O)C(=O)NCCN1C(=O)CCC1=O 1346314739 GLWPXOJCNBNICH-NSHDSACASA-N 307.350 -0.181 30 20 DBED C#C[C@H](C)N(C)c1nnc(CC[C@@]2(C)NC(=O)NC2=O)n1C 1355247508 KZMGVNMLJUDTBM-LKFCYVNXSA-N 304.354 -0.196 30 20 DBED N#C[C@@]1(F)CCN(C(=O)c2cn(C[C@H]3CNC(=O)O3)nn2)C1 1361794351 DBAIZAZXMKFWIB-PELKAZGASA-N 308.273 -0.536 30 20 DBED Cc1cnc(CNC(=O)CCn2cc(C#N)c(O)nc2=O)[nH]1 1363368372 SDRPKOSNQLFFJA-UHFFFAOYSA-N 302.294 -0.441 30 20 DBED C[C@@H](CC(N)=O)C(=O)NC[C@@H](O)CNCc1cccc(C#N)c1 1367610000 WAENQMCSGDQIDW-FZMZJTMJSA-N 318.377 -0.364 30 20 DBED CCN(CCC#N)C(=O)CN1CC(NC(=O)c2cnns2)C1 1373417498 GCWJNPCYLUOZCT-UHFFFAOYSA-N 322.394 -0.286 30 20 DBED Cc1c(C(=O)N2CC[C@@H](N(C)C(=O)[C@H](C)C#N)C2)nnn1C 1396776087 NCGMVAUGOOQVOI-MWLCHTKSSA-N 304.354 -0.044 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)C[C@H]2CCCC(=O)N2)C1 1397225402 FTXUEJQLYPAECH-DDHJBXDOSA-N 306.366 -0.032 30 20 DBED C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)[C@H]1CCCC(=O)N1 1397406477 JRFIDGBMYSBASK-GXSJLCMTSA-N 317.349 -0.210 30 20 DBED C[C@@H](C#N)C(=O)NCCC1CCN(C(=O)Cn2cnnn2)CC1 1399197288 ARRFJXSIBVRVBZ-NSHDSACASA-N 319.369 -0.422 30 20 DBED C[C@@H](C#N)C(=O)NCC1CCN(C(=O)[C@@H]2CC(=O)N(C)C2)CC1 1407342927 XHFPHOIUCLUHFN-WCQYABFASA-N 320.393 -0.021 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CCN(C(=O)CN2CCCC2=O)C1 1408366882 LXCIHWBGVRSLQU-NEPJUHHUSA-N 306.366 -0.267 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)CNC(=O)C3CC3)[C@@H]2C1 1414073618 VPCAUHDCCXVGFI-RAIGVLPGSA-N 318.377 -0.268 30 20 DBED COC(=O)C1(C#N)CCN(C(=O)N[C@H](C)c2nnnn2C)CC1 1414746562 WCPCHSZCCNNACQ-SECBINFHSA-N 321.341 -0.241 30 20 DBED Cn1c(=O)[nH]c(N2CCC[C@@H]2C(=O)NC(C)(C)C)c(C#N)c1=O 1421269250 OOBXEIIADFHAFR-SNVBAGLBSA-N 319.365 -0.171 30 20 DBED C=C(Cl)CNC[C@@H](O)CN(C)C(=O)c1ccc(O)nn1 1449094805 RWLXLDRYUXWFQN-SECBINFHSA-N 300.746 -0.043 30 20 DBED CC(C)(O)C1CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)CC1 1471200798 IUFORDHAHFVCKO-UHFFFAOYSA-N 320.349 -0.170 30 20 DBED CCNC(=O)NC(=O)[C@H](C)N(CC)CCNC(=O)[C@H](C)C#N 1480967190 BPZLKTBYLWAGCQ-MNOVXSKESA-N 311.386 -0.182 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CCN(C(=O)c2ccn(C)c(=O)c2)C1 1493362863 QYGDESFUSGBRMO-PWSUYJOCSA-N 302.334 -0.124 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(O)(CNCC(=O)N2CCCC2)CC1 1502858550 KKLHWNCAPUDAQN-ZDUSSCGKSA-N 322.409 -0.288 30 20 DBED C#CCNC(=O)CNC[C@@H]1CCCCN1C(=O)c1ccnn1C 1505402835 GNYDJMHQGPZJEW-ZDUSSCGKSA-N 317.393 -0.246 30 20 DBED N#Cc1cccnc1NCCNS(=O)(=O)C[C@H]1CCNC1 1574248606 LEYBPKONHNYSEL-NSHDSACASA-N 309.395 -0.106 30 20 DBED C#CCCS(=O)(=O)N(CC)[C@@H](C)CC(=O)N1CCNCC1 1574583149 GPVKZQNJDBXFAC-ZDUSSCGKSA-N 315.439 -0.128 30 20 DBED C#CC[C@H](NC(=O)c1ccc(-c2nn[nH]n2)nc1)C(=O)OC 1588334351 UQBDHCKKBOYOFX-JTQLQIEISA-N 300.278 -0.444 30 20 DBED COCCN(CCC(=O)O)C(=O)C(=O)N1CCC[C@H](C#N)C1 1594000938 HJCNWSJMOAGQFR-LLVKDONJSA-N 311.338 -0.302 30 20 DBED Cc1c(C#N)cccc1NC(=O)C(=O)NC[C@@H](O)CC(=O)O 1599975273 XVQRPYZZKSCVRN-JTQLQIEISA-N 305.290 -0.243 30 20 DBED CCCN(C(=O)Cn1cc(C#N)c(O)nc1=O)[C@@H](C)C(=O)O 1605298457 QSWWMRJASCYFIL-QMMMGPOBSA-N 308.294 -0.468 30 20 DBED N#Cc1cc(C(=O)NCCNc2cncc(-c3nn[nH]n3)n2)c[nH]1 1606359795 FABLMUYBKVKTII-UHFFFAOYSA-N 324.308 -0.302 30 20 DBED N#Cc1cnc(NCCn2cnc(-c3nn[nH]n3)n2)c(F)c1 1606390094 MDRNCTPTYYNWDV-UHFFFAOYSA-N 300.261 -0.024 30 20 DBED N#Cc1ncn(CCNC(=O)N[C@H]2C[C@H]3C[C@@H](C(=O)O)C[C@@H]23)n1 1608225551 RBHSRWGNQVJMNA-DBIOUOCHSA-N 318.337 -0.052 30 20 DBED N#Cc1ncn(CCNC(=O)c2cnccc2-c2nn[nH]n2)n1 1609501255 KVYQEHCQXQBPNF-UHFFFAOYSA-N 310.281 -0.845 30 20 DBED C[C@](O)(CNC(=O)C(=O)Nc1ccc(C#N)cc1F)C(=O)O 1609943332 USWSPOHPVNWJBW-ZDUSSCGKSA-N 309.253 -0.412 30 20 DBED N#CCCNC(=O)CN1CCC[C@H](n2cc(C(=O)O)nn2)C1 1610621518 KYOSRXQSUQISSJ-JTQLQIEISA-N 306.326 -0.357 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)CCn2cccn2)C1 1714993428 PYCJTCROULAMHC-ZDUSSCGKSA-N 303.366 -0.787 30 20 DBED C#CCNC(=O)CN1CCC[C@@H](NC(=O)c2[nH]cnc2C)C1 1732090985 NGGWVCYKKVQHPM-GFCCVEGCSA-N 303.366 -0.338 30 20 DBED N#CCNC(=O)CN[C@H](CNC(=O)c1ccncc1)C1CC1 1752445044 NOZSEEYYNHOGOQ-CYBMUJFWSA-N 301.350 -0.181 30 20 DBED C=CCNC(=O)CNC[C@@H]1CCN(C(=O)CN2CCOCC2)C1 1752933201 BHURZOLGSWDDMK-AWEZNQCLSA-N 324.425 -0.941 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCCN(C(=O)Cc2cc[nH]n2)C1 1752990954 XPIRVQDIMNIROJ-AWEZNQCLSA-N 317.393 -0.376 30 20 DBED C#CCNC(=O)[C@H](C)NCCN(C)C(=O)c1n[nH]c2c1CCC2 1753207958 GLHZEUQQIAJSNO-NSHDSACASA-N 317.393 -0.302 30 20 DBED C#CCCN1CCN(CCN(C)C(=O)C2(C(N)=O)CC2)CC1 1753343673 ZOGJTQJTQVOHLN-UHFFFAOYSA-N 306.410 -0.649 30 20 DBED CN1CC[C@@H](C(=O)N[C@@](C)(CNCC(=O)NCC#N)C2CC2)C1 1753528553 ZCIFPVQEHLSBSR-WBMJQRKESA-N 321.425 -0.548 30 20 DBED C#CCNC(=O)CNC[C@H](C)CNC(=O)[C@@H](F)C(F)(F)F 1753614206 JOPCPPPAYYNOST-WCBMZHEXSA-N 311.279 -0.022 30 20 DBED C=CCCn1cc(C(=O)N[C@@H](C)CCN[C@@H]2CCNC2=O)nn1 1754017206 RMVXVMKKDFNCQX-NWDGAFQWSA-N 320.397 -0.159 30 20 DBED C#CCNC(=O)CN1CC(N(C)C(=O)CN2CC[C@@H](C)C2)C1 1754582266 VWQXQWROJPTRBJ-CYBMUJFWSA-N 306.410 -0.780 30 20 DBED C#CCN(C(=O)Cn1ccnc1)C1CCN([C@H](C)C(N)=O)CC1 1754642886 CMONGEYNHIJQBS-CYBMUJFWSA-N 317.393 -0.317 30 20 DBED C#CCNC1CCN(CCNC(=O)[C@H](C)S(C)(=O)=O)CC1 1754849023 CDTGPEAMJFVHGF-LBPRGKRZSA-N 315.439 -0.777 30 20 DBED CC(C)(C)NC(=O)CNCCN(CCO)C(=O)C#CC1CC1 1754882324 ZKAMSUMFQVUDDT-UHFFFAOYSA-N 309.410 -0.275 30 20 DBED CN(CC(C)(C)CNCC#N)C(=O)CS(=O)(=O)N(C)C 1755287255 TYINNRPCMCPHGQ-UHFFFAOYSA-N 304.416 -0.524 30 20 DBED C=CCNC(=O)CN1CC(CCO)(NC(=O)c2ccn(C)c2)C1 1755332390 YPFYIRPCWJLQLN-UHFFFAOYSA-N 320.393 -0.506 30 20 DBED C[C@H](C(=O)N(C)C[C@@H](O)CNCC(=O)NCC#N)n1cccc1 1755777324 KZTWWVTVKMRKLJ-OLZOCXBDSA-N 321.381 -0.902 30 20 DBED C=CCNC[C@H](O)CN(C)C(=O)Cc1c(C)nc(O)nc1O 1755790601 BTZKAYOZAWFRNV-JTQLQIEISA-N 310.354 -0.666 30 20 DBED CC#CCN(CCNC(=O)C[C@@H]1CCC(=O)NC1)CCOC 1755839076 GCDSLCQSONAALQ-AWEZNQCLSA-N 309.410 -0.009 30 20 DBED C[C@H](NC(=O)CCn1ccnn1)[C@@H](C)NC(=O)CSCC#N 1755964369 FICHXKKYZPFBTE-WDEREUQCSA-N 324.410 -0.066 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)CN(C)C(=O)c1cnsn1 1756432577 HQXMYSHGULKZON-SECBINFHSA-N 323.378 -0.746 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@H](CO)CNC(=O)c1cc(C#N)c[nH]1 1756510791 OZKKEKRJKABWGS-JQWIXIFHSA-N 320.349 -0.316 30 20 DBED C#CCCCC(=O)NC[C@@H](CO)NC(=O)Cc1n[nH]c(C)n1 1756515719 OKKVONQQCYCTBP-NSHDSACASA-N 307.354 -0.948 30 20 DBED C=CCOCC(=O)N1C[C@H](NC(=O)c2nnn(C)n2)C[C@@H]1C 1756584520 SDZQZLQMZDOWJN-VHSXEESVSA-N 308.342 -0.868 30 20 DBED Cc1nc(O)[nH]c1C(=O)NC[C@H](O)CN(C)C(=O)C#CC(C)C 1756661995 HMRVIOUNILFMRF-NSHDSACASA-N 322.365 -0.368 30 20 DBED C#CCOCCC(=O)NC[C@@H](C)N(CC)C(=O)c1ncn(C)n1 1756853448 UWXTXBBBXLSDKK-GFCCVEGCSA-N 321.381 -0.178 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CN(C(=O)[C@H](F)C(F)(F)F)C[C@H]1O 1756995613 DJJFVLLLXDAGOM-KKZNHRDASA-N 322.258 -0.012 30 20 DBED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1C[C@H]1F)CCO2 1783565835 RIKSJGIZHOMCSU-RWSFTLGLSA-N 324.308 -0.738 30 20 DBED C#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)CN(C)C)CCO2 1785420593 JPAOVQSEQFHQJL-MRXNPFEDSA-N 307.394 -0.209 30 20 DBED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(OC)OC)C[C@@H]21 1790789503 BBEVBIPXYQIBCV-SRVKXCTJSA-N 310.350 -0.782 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NC(=O)CC)C2 1800450402 GDLDLFYZEFGMHA-OHTBPHCPSA-N 321.377 -0.876 30 20 DBED C#CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CNC(N)=O)CC2 1825029515 QJYYDRUUKXFOCT-ZETCQYMHSA-N 321.362 -0.643 30 20 DBED C=CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)CNC(N)=O)C2 1841612561 BRXDXVKTTZNYMC-LLVKDONJSA-N 324.381 -0.551 30 20 DBED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C)CC2)cc1 55169290 LPVHAHVNZVBNBH-UHFFFAOYSA-N 321.402 -0.014 30 20 DBED N#Cc1cnn(C(=O)CN2C(=O)NC3(CCCC3)C2=O)c1N 60470712 OQXVASHZBVAOJB-UHFFFAOYSA-N 302.294 -0.158 30 20 DBED C[C@@H]1CN(c2nccnc2C#N)CCN1Cn1ncn(C)c1=O 133642123 BHQFWRPVVYQYFE-LLVKDONJSA-N 314.353 -0.588 30 20 DBED C/N=C(/NC[C@H](O)c1cnn(C)c1)NC[C@]1(O)CCSC1 262401889 NYRGRDSVOFIUIX-WCQYABFASA-N 313.427 -0.514 30 20 DBED C[C@H](C#N)CN(C)C(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 266310816 WQBYVUHRAKURPV-JKKYPKHBSA-N 305.334 -0.233 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCC(O)(CC)CC)C1=O 266568688 RHOJPHZPMICTQH-UHFFFAOYSA-N 311.338 -0.370 30 20 DBED CC(C)(C)OC(=O)N1CCN(C(=O)Cn2cnnn2)[C@H](C#N)C1 267392415 QNUQEZPPTINQHZ-SNVBAGLBSA-N 321.341 -0.355 30 20 DBED CNC(=O)CN(C)C(=O)C(=O)N1CCc2ccc(C#N)cc21 270141919 DMTXPDVFEHKRDC-UHFFFAOYSA-N 300.318 -0.348 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)Nc1ccn(CC(=O)OC)n1 275825048 RRERWYCGOQJYQZ-SECBINFHSA-N 309.326 -0.132 30 20 DBED N#Cc1ccc(NC(=O)C(=O)N(CCO)CCCO)c(F)c1 275854232 FBRSLTDXZCAHAC-UHFFFAOYSA-N 309.297 -0.161 30 20 DBED COCCN1CC[C@H](NS(=O)(=O)c2cccnc2C#N)C1 277200322 PMSWPVQDSDGZEV-NSHDSACASA-N 310.379 -0.048 30 20 DBED N#Cc1ncn(CCNC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)n1 285025020 IFSOTOFRDIFWLS-FSZOTQKASA-N 301.306 -0.211 30 20 DBED CCN1CCCN(C(=O)C(=O)Nc2ccc(C#N)cn2)CC1=O 294290463 MSDSIHNOOQCGDJ-UHFFFAOYSA-N 315.333 -0.027 30 20 DBED C#CCO[C@H](C)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 294890794 IRLWZTAHIJZWJZ-ZIAGYGMSSA-N 307.394 -0.210 30 20 DBED COCC(=O)N1CCN(/C(O)=N/CCC(=O)N(C)C)CC1 330391391 FZFITGKZFBUIND-UHFFFAOYSA-N 300.359 -0.831 30 20 DBED CCCNC(=O)C/N=C(/O)N[C@H]1CCCN(S(C)(=O)=O)C1 330422075 GFWOMKUMLPZCQS-JTQLQIEISA-N 320.415 -0.560 30 20 DBED CC(C)[C@@](C)(C#N)NC(=O)CN1CC[C@@H](S(N)(=O)=O)C1 330471838 OOFBHABHERQBGJ-ZYHUDNBSSA-N 302.400 -0.596 30 20 DBED COC(=O)C1(NS(=O)(=O)N2CCO[C@H](C#N)C2)CCC1 336934754 DXQSWOZCLLINJG-SECBINFHSA-N 303.340 -0.859 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CCO[C@@H](C(=O)OC)C1 337098951 UDVGZMTWFQTEPF-SNVBAGLBSA-N 305.356 -0.659 30 20 DBED COC(=O)c1cn(CCNS(=O)(=O)CCCC#N)nn1 341104431 OWWPCIFCFVZQDP-UHFFFAOYSA-N 301.328 -0.712 30 20 DBED C=CC[C@@H](CO)CNC(=O)NC[C@@H]1CS(=O)(=O)CCO1 341851067 HMWAAKXDRXIINC-GHMZBOCLSA-N 306.384 -0.716 30 20 DBED C=CCNC(=O)Cc1noc(CCSc2nnnn2C)n1 350695809 RJKXSDICOCEICP-UHFFFAOYSA-N 309.355 -0.227 30 20 DBED C=CCOC[C@H](NS(=O)(=O)c1cnn(CC)c1)C(=O)OC 360604216 IOORESUVLQVSLL-NSHDSACASA-N 317.367 -0.075 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 374547580 CCBPLUPHIYNURN-JHJVBQTASA-N 316.427 -0.082 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCNC(=O)C[C@@H]1C 376569928 IGVKANZXLSQRKQ-QWRGUYRKSA-N 302.400 -0.077 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CCC(CNC)CC2)nn1 424543420 JRJNQLLRIBCOPQ-UHFFFAOYSA-N 320.397 -0.462 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1cn(CCO)c(=O)nc1O 437529606 UJIVIWJQGLGPOW-PWSUYJOCSA-N 323.349 -0.348 30 20 DBED CN(C)C(=O)NCCNC(=O)C(=O)Nc1cccc(C#N)c1 440706433 SZQSOQMKUIJKRL-UHFFFAOYSA-N 303.322 -0.116 30 20 DBED C#CCN1CCN(C(=O)CN[C@@H]2CCC[C@@H]2C(=O)NC)CC1 491165035 HXDUVKOFNHRXFL-UONOGXRCSA-N 306.410 -0.732 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])CC1 491783976 QAKUTOMLCQVHCX-UHFFFAOYSA-N 324.381 -0.285 30 20 DBED N#Cc1ncn(CCNC(=O)NCCN2CCCOCC2)n1 575207879 IKVOERIKXJPWDX-UHFFFAOYSA-N 307.358 -0.829 30 20 DBED CC[C@H](CNS(C)(=O)=O)NC(=O)N1CC[C@](O)(CC#N)C1 592027234 FUVJBUDQFSGHLY-ZYHUDNBSSA-N 318.399 -0.626 30 20 DBED CNC[C@@H](C)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N 595245459 RJULELIBDPKXRL-SECBINFHSA-N 306.370 0.172 30 20 DBED COC(=O)[C@](C)(CO)NC[C@H](O)COc1ccc(C#N)cc1 595529503 JJBJZGFMYYRAMP-WFASDCNBSA-N 308.334 -0.188 30 20 DBED CN(C)C(=O)CN1CCN(C(=O)c2ccc(C#N)n2C)CC1 598978377 SPELWSHRMIDPQY-UHFFFAOYSA-N 303.366 -0.257 30 20 DBED C=CCN(C(=O)[C@@H]1CCCNC1=O)[C@@H]1CCS(=O)(=O)C1 630796234 LLZTZEWQDBKUBY-GHMZBOCLSA-N 300.380 -0.286 30 20 DBED C=C1CC(C)(C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)C1 630899593 DLKWEUCELGEQBB-UHFFFAOYSA-N 304.354 -0.300 30 20 DBED CCC(=O)C[C@@H](NS(=O)(=O)N(C)C[C@@H](C)C#N)C(=O)O 650412590 OSRSQNRBAJVVOC-WCBMZHEXSA-N 305.356 -0.265 30 20 DBED C=CCN1CC[C@@H](N(C)S(=O)(=O)N2CCCOCC2)C1=O 651686643 FXFBPBSICCGACV-GFCCVEGCSA-N 317.411 -0.328 30 20 DBED C=CCCNC(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 661572461 NZTOGHKHHFTUKV-JTQLQIEISA-N 303.384 -0.445 30 20 DBED C=C[C@H](CO)NCCC(=O)Nc1cccc(S(N)(=O)=O)c1 662167802 HOXLIPYHOFBDNY-SNVBAGLBSA-N 313.379 -0.201 30 20 DBED C=CCC[C@H](CO)NC(=O)N[C@H]1CS(=O)(=O)C[C@H]1OC 666097794 IRHNLGWPVOQJOM-OUAUKWLOSA-N 306.384 -0.575 30 20 DBED N#CC1(C(=O)N2CCC[C@@H](S(N)(=O)=O)C2)CCOCC1 707431641 MBOZXUGPQBEQCG-SNVBAGLBSA-N 301.368 -0.414 30 20 DBED COc1ccc2c(c1)C(=NNC(=S)NCC(N)=O)C(=O)N2 731928665 TVFGWAJNPNSXJW-UHFFFAOYSA-N 307.335 -0.699 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)c1ccc(S(N)(=O)=O)s1 745252179 FYUNMQDMWOGSQE-ZETCQYMHSA-N 316.360 -0.310 30 20 DBED O=C1N=C(NN=Cc2n[nH]c3cc(C(=O)O)ccc23)NC1=O 765593125 LDYSMVSWFQYOOG-UHFFFAOYSA-N 300.234 -0.803 30 20 DBED C=CCNC(=O)[C@H](C)OC(=O)c1ccnc(S(N)(=O)=O)c1 772430049 ZYUMSYRLDZODRX-QMMMGPOBSA-N 313.335 -0.424 30 20 DBED N#Cc1c(F)cccc1S(=O)(=O)NC(=O)[C@H]1COCCO1 781596217 YDBIDYDQNHULIG-SNVBAGLBSA-N 314.294 -0.082 30 20 DBED C#CCOCCNC(=O)[C@H](C(C)C)N1CCCS1(=O)=O 784605805 BIHSTRBQHANLKA-LBPRGKRZSA-N 302.396 -0.188 30 20 DBED C#CCNS(=O)(=O)N1CCN(CCCCC(=O)O)CC1 819706341 XYYWTPDLSKZPSI-UHFFFAOYSA-N 303.384 -0.674 30 20 DBED N#CCCS(=O)(=O)NC(=O)[C@H]1CCCN(C(=O)C2CC2)C1 821584330 YUQLMKMVRBIXBX-NSHDSACASA-N 313.379 -0.005 30 20 DBED Cn1c(=O)c2c(ncn2CCOC(=O)C#CC2CC2)n(C)c1=O 838370241 RBTNDFYNXXOINX-UHFFFAOYSA-N 316.317 -0.610 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCN(C)C[C@H](C(=O)OC)C1 840504104 OHOQOTMWOMMPPO-KBPBESRZSA-N 307.394 -0.353 30 20 DBED C#CCSCCNC(=O)N1CCC[C@H](C(=O)NCCN)C1 841832011 KZUYQAMEEQZCAB-LBPRGKRZSA-N 312.439 -0.151 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2[C@H]3C(=O)CC[C@H]32)CC1 906581299 WHSBKRFFDSEQRN-DAXOMENPSA-N 317.389 -0.505 30 20 DBED C=CCN1CCC(NC(=O)C(=O)N2CC[C@H](CCN)C2)CC1 911235285 AUSZIOOUEFNAGY-ZDUSSCGKSA-N 308.426 -0.050 30 20 DBED C#CCOCCC(=O)Nc1ccn(CCN2CCNC2=O)n1 928631778 PDFLNXHZHALJRE-UHFFFAOYSA-N 305.338 -0.113 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)C2CCOCC2)C1 944444046 NVAWAGGTXFCHSL-YPMHNXCESA-N 309.366 -0.084 30 20 DBED Cn1c(C(=O)N[C@H]2[C@H]3C[C@H]2N(C(=O)C#CC2CC2)C3)cnc1O 947721615 YHCIITFVLFPTNG-WDMOLILDSA-N 314.345 -0.132 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCN([C@H]2CCCNC2=O)CC1 948825820 SPPBOXITRYVWJC-GJZGRUSLSA-N 318.421 -0.493 30 20 DBED CN1C[C@@H](C(=O)N2CCC3(CC2)CN(CC#N)CCO3)CC1=O 949379169 QNLBNYSFWZIPQF-ZDUSSCGKSA-N 320.393 -0.318 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(CC)C1CN(CC(=O)N(C)C)C1 950534491 XCDXZUAFFFVUBY-HNNXBMFYSA-N 320.437 -0.295 30 20 DBED COc1cc(C(=O)N(C)C2CN(C(=O)[C@@H](C)C#N)C2)ncn1 954353970 ZXNCDNOOKYXPDC-VIFPVBQESA-N 303.322 -0.072 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](CNC(=O)C2CS(=O)(=O)C2)C1 958097174 UMOXZWKYQZLPJQ-PWSUYJOCSA-N 302.396 -0.984 30 20 DBED N#CCN1C[C@@H](O)[C@H](CNC(=O)c2cccc3nc(O)[nH]c23)C1 958146214 ZZPDVXZWJWTFNR-BXKDBHETSA-N 315.333 -0.185 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C2CC2)C1 958382333 CGGOFMLYRMKQQV-KKUMJFAQSA-N 319.405 -0.476 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2ccc3nnc(O)n3c2)C1 958475600 CIKLKQAMPJDRCI-NWDGAFQWSA-N 315.333 -0.909 30 20 DBED C=C(C)CN1C[C@H]2C(NC(=O)c3cn(C)c(=O)nc3O)[C@@H]2C1 962534940 RBPXNFUXWIPDIY-NXEZZACHSA-N 304.350 -0.278 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1COCCN1C(=O)COC 964360875 MKGBWQIIXLXQPJ-UPJWGTAASA-N 312.366 -0.433 30 20 DBED C#CCNC1CC2(C1)CC(NC(=O)C[C@@H]1CC(=O)NC1=O)C2 965954818 QNBLQHJHVBPRBV-CUMPHSRVSA-N 303.362 -0.311 30 20 DBED CC#CCN1CC[C@@H](C)[C@H](NC(=O)CN2CCOCC2=O)C1 966753604 PLCXPKBDOAYGJO-ZIAGYGMSSA-N 307.394 -0.305 30 20 DBED C#CCCN1CC([C@@H](C)NC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 970198458 KXTDGROKWMLTEH-RISCZKNCSA-N 315.377 -0.175 30 20 DBED CC#CCN1CCO[C@@]2(CCN(C(=O)C[C@@H]3CCNC3=O)C2)C1 972405247 NMSGGHSLZANNDK-YOEHRIQHSA-N 319.405 -0.161 30 20 DBED CC#CCN1C[C@H](NC(=O)Cn2ncn(C)c2=O)C(C)(C)C1 974756775 JLSZQBTYHIJYEP-LBPRGKRZSA-N 305.382 -0.568 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)[C@H]3CC(=O)N(C)C3)[C@H]2C1 976653988 QCYGZXJXNSIYLB-OQEOFVATSA-N 304.350 -0.803 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)C[C@@H]3CCC(=O)N3C)[C@H]2C1 976938302 IEOWPORKTUPNCU-QHUBEEEXSA-N 318.377 -0.270 30 20 DBED CN(C)CCn1cc(C(=O)NCC2[C@@H]3CN(CC#N)C[C@@H]23)cn1 978848585 NDUXDECRFGDOTF-GJZGRUSLSA-N 316.409 -0.124 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2[C@@H]3CN([C@H](C)C(N)=O)C[C@H]23)cn1 978985504 DKCWLTNMYHEBGT-QZKOUSHUSA-N 312.373 -0.156 30 20 DBED C=C(C)CN1CCCC2(C1)CN(C(=O)CN1CCNC(=O)C1)C2 981933298 NMCOXVWRDNPZAF-UHFFFAOYSA-N 320.437 -0.081 30 20 DBED C#CCN1CCC(C(=O)N2CC(NC(=O)[C@H]3CCCO3)C2)CC1 990166833 VFJCGKDXAPNXOF-OAHLLOKOSA-N 319.405 -0.162 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2COC(=O)N2)C1 991118771 DKBAIHSQHAUNJR-WOPDTQHZSA-N 323.349 -0.597 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](NCC(=O)N2CCOCC2)C(C)(C)C1 995580643 LHGIOCBGZONYPE-CHWSQXEVSA-N 322.409 -0.169 30 20 DBED C[C@H](C#N)C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cc(=O)n(C)o1 996184992 IWLUFGOAQXZFHP-ZNSHCXBVSA-N 318.333 0.000 30 20 DBED CN(C(=O)c1cc(C#N)c[nH]1)C1CC(NCc2nnn(C)n2)C1 998602832 BTPWIZILODSRAG-UHFFFAOYSA-N 314.353 -0.197 30 20 DBED C[C@H](C#N)C(=O)N1CC(CNC(=O)c2cccn(C)c2=O)C1 1003450599 JEQNDSVGMNLBTD-SNVBAGLBSA-N 302.334 -0.267 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2C(NC(=O)c3cnn[nH]3)[C@@H]2C1 1013386849 ZKTRATNSRZJXIU-BFLSOPEQSA-N 317.349 -0.418 30 20 DBED C=CCN1CC[C@@H](NC(=O)CN2CCCCS2(=O)=O)C1 1015289777 KZHBRLLRAXVJRQ-GFCCVEGCSA-N 301.412 -0.212 30 20 DBED CC(=O)N1CCOC[C@@H]1C(=O)N[C@H]1CC12CCN(CC#N)CC2 1016988035 XKCQEFHRRBJFQR-KGLIPLIRSA-N 320.393 -0.272 30 20 DBED C[C@H]1CCN(C(=O)C(N)=O)C[C@@H]1CNC(=O)c1c[nH]c(C#N)c1 1018617556 IVONBVHPFRKLHX-ONGXEEELSA-N 317.349 -0.414 30 20 DBED N#CCN1CCCC[C@@H]1CNC(=O)c1cc(=O)n2[nH]cnc2n1 1024759780 JYVUPHJUAVQDCQ-SNVBAGLBSA-N 315.337 -0.475 30 20 DBED N#CCN1CCC[C@@H]1CNC(=O)[C@@H]1CCc2nnnn2CC1 1028149548 GBFYDUYNSFCJFH-VXGBXAGGSA-N 303.370 -0.270 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)c3n[nH]cc3C)C2)C1=O 1030289145 QQRXSAXRMLGUDV-LBPRGKRZSA-N 303.366 -0.081 30 20 DBED C=C(Cl)CN1C[C@H]2C[C@H]1[C@H]2NC(=O)C1CC(=O)NC(=O)C1 1037616329 CYLVPKBMRBXZDX-NRUUGDAUSA-N 311.769 -0.019 30 20 DBED C#CCN1CCC(C(=O)N[C@H]2[C@H]3C[C@H]2N(CC(=O)NC)C3)CC1 1037744880 XTUOHXKXZKSOKW-LZWOXQAQSA-N 318.421 -0.734 30 20 DBED C#CCN1CC[C@H](C2CCN(C(=O)[C@H]3CNC(=O)N3)CC2)C1 1039155572 TUXYFPIFVWYSMM-UONOGXRCSA-N 304.394 -0.139 30 20 DBED C[C@H]1CCN(C(=O)C(N)=O)C[C@H]1CNc1cncc(C#N)n1 1039887443 HZSPZYHMFLRQJP-VHSXEESVSA-N 302.338 -0.270 30 20 DBED N#Cc1cccnc1N1CCO[C@H]2CCN(C(=O)C(N)=O)C[C@@H]21 1040001891 WRGOTUMAXPGAIO-RYUDHWBXSA-N 315.333 -0.755 30 20 DBED N#Cc1nccc(N2C[C@@H](O)[C@H](NC(=O)Cc3ccon3)C2)n1 1040959226 WOQMXOSCDPMPBU-GHMZBOCLSA-N 314.305 -0.755 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2cccnc2)C1 1041200611 VGGJYWIJMXTPOO-LBPRGKRZSA-N 317.345 -0.577 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)c2cn(C)ccc2=O)C1 1041956421 KZPUTKABWVOKRH-UHFFFAOYSA-N 319.361 -0.345 30 20 DBED C=C(C)CCC(=O)N1CC(O)(CNC(=O)C2CN(C(C)=O)C2)C1 1042785001 WFWAYQJLAAHOFV-UHFFFAOYSA-N 323.393 -0.490 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)c2cccc(O)n2)C1 1042803262 VTHYDWBBJAPKMG-UHFFFAOYSA-N 317.345 -0.106 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)[C@H]2CCO[C@@H]2C)C1 1043032686 FRBBJJDTUOZEJM-OLZOCXBDSA-N 324.377 -0.859 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)CCCF)C1 1043042985 AFEKAPHTODIZNS-LLVKDONJSA-N 300.330 -0.536 30 20 DBED CN1CCC[C@H]1C(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1043873344 BDXRQPGJZRWIIC-AGIUHOORSA-N 316.365 -0.892 30 20 DBED Cc1cc(C#N)nc(N2CC[C@@H]3CCN(C(=O)C(N)=O)C[C@@H]32)n1 1045191863 ZQYRPXBSLFYYCX-JQWIXIFHSA-N 314.349 -0.431 30 20 DBED C#CCCN1CC[C@](C)(NC(=O)[C@H]2CCN(C)S2(=O)=O)C1 1046688739 CYTSMBKMGKUCFL-OCCSQVGLSA-N 313.423 -0.376 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cnc(OC)nc2)C1 1047585844 UFFVRVWHOJQEGS-STQMWFEESA-N 304.350 -0.374 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC(=O)N2)C1 1048547761 OZIGGJPOYKKIMI-WOPDTQHZSA-N 309.366 -0.739 30 20 DBED C=CCOCC(=O)N[C@@H](C)[C@H]1CCN(C(=O)c2nc[nH]n2)C1 1051337942 QRDWFNDHCHQXJB-QWRGUYRKSA-N 307.354 -0.026 30 20 DBED N#Cc1ccc(N2CC[C@H](NC(=O)c3cocn3)[C@H](O)C2)nn1 1051640119 VZMZGJJKIQFRFR-CMPLNLGQSA-N 314.305 -0.294 30 20 DBED N#CCN1CC2(C1)CN(C(=O)[C@H]1CCc3cncn3C1)CCO2 1053316178 NXAYJJINTGLWAJ-ZDUSSCGKSA-N 315.377 -0.118 30 20 DBED C=C(C)CN1CC2(C1)CN(C(=O)CCn1cnnn1)CCO2 1053483532 SHDPFHBEDRROOZ-UHFFFAOYSA-N 306.370 -0.448 30 20 DBED CCC(=O)N1CC[C@H](C(=O)N2CCOC3(CN(CC#N)C3)C2)C1 1053499070 RZVANSDSIQBNQR-ZDUSSCGKSA-N 320.393 -0.318 30 20 DBED C#CCCN1CC2(CC[C@H](CNC(=O)[C@H]3CCNC3=O)O2)C1 1053640587 BSHHEJBATSMVAG-OLZOCXBDSA-N 305.378 -0.505 30 20 DBED C#CCCN1CC2(CC[C@@H](CNC(=O)[C@H]3CCC(=O)N3C)O2)C1 1053649536 OOEISSJQIJKNNN-UONOGXRCSA-N 319.405 -0.020 30 20 DBED CCc1nc(C#N)cc(NC[C@@H]2CN(C(=O)C(N)=O)C[C@H]2C)n1 1054532765 MQBUFBBSEIGACS-NXEZZACHSA-N 316.365 -0.098 30 20 DBED C[C@@H](C#N)C(=O)N[C@]1(CO)CCCN(C(=O)CC2(O)CCC2)C1 1056094914 YROINERDYFMMEE-SWLSCSKDSA-N 323.393 -0.079 30 20 DBED N#Cc1nc(=N[C@@H]2CCN(C(=O)[C@H]3CCCC(=O)N3)C2)cc[nH]1 1056721357 KNNJZKCOIPKKNW-GHMZBOCLSA-N 314.349 -0.548 30 20 DBED CN(c1nccnc1C#N)[C@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 1056997986 MPZZYSVRTRAYPQ-WDEREUQCSA-N 314.349 -0.479 30 20 DBED N#CCSCC(=O)N(CCO)CCNC(=O)c1cocn1 1057026908 QACJQMBMLUUSLK-UHFFFAOYSA-N 312.351 -0.518 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCN(CCO)C(=O)CCCOC 1057079746 YMBSRWIWWVKKBO-OAHLLOKOSA-N 316.398 -0.323 30 20 DBED CN1CCC[C@@H]1C(=O)N(CCO)CCNC(=O)C#CC1CC1 1057212779 VXMHEKHGDDYAIF-CQSZACIVSA-N 307.394 -0.569 30 20 DBED C=C[C@](C)(O)CC(=O)N(CCO)CCNC(=O)c1ccn(C)n1 1057451276 IKBPKNVLWGGEMC-HNNXBMFYSA-N 324.381 -0.702 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)Cc1ccnn1C 1057453628 OLIZVSPHRDTFJG-LLVKDONJSA-N 307.354 -0.941 30 20 DBED C=CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)c1ncc[nH]1 1057521257 AXTNBPVSKQTAFZ-NSHDSACASA-N 310.354 -0.449 30 20 DBED C#CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)[C@@H]1CC12CC2 1057584546 NMOKMTCHAGWSSW-STQMWFEESA-N 308.378 -0.238 30 20 DBED C=CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)[C@@H](C)OC 1057922224 ZQOZEVFMBHYCNK-NEPJUHHUSA-N 302.371 -0.451 30 20 DBED C#CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)[C@H](F)CC 1058386511 LEWLWLPFLDBIAA-NWDGAFQWSA-N 302.346 -0.290 30 20 DBED CN1C(=O)CC[C@@H]1C(=O)N[C@H]1CCN(c2ccnc(C#N)n2)C1 1058523141 HQXZSWZLQQSQGB-WDEREUQCSA-N 314.349 -0.336 30 20 DBED Cn1cc(CC(=O)N[C@H]2C[C@H](N=c3cc[nH]c(C#N)n3)C2)cn1 1059148542 DHNXLRNEBWZTPY-HAQNSBGRSA-N 311.349 -0.195 30 20 DBED COCCC(=O)N1CCOC[C@H]1CNC(=O)c1cc(C#N)c[nH]1 1061464040 AGUZXZCDXRADHX-GFCCVEGCSA-N 320.349 -0.120 30 20 DBED C=CCCOCC(=O)N1CCOC[C@@H]1CNC(=O)c1cnn[nH]1 1061697396 PIYYBKRIHJSHHZ-NSHDSACASA-N 323.353 -0.645 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)CCCN(C)C 1061827906 NJOGPZXDFOCQFJ-OLZOCXBDSA-N 310.398 -0.169 30 20 DBED C#CCO[C@H](C)C(=O)NC1(CNC(=O)CC(=O)NC)CCC1 1062844463 BTSONAWTKNFHCB-LLVKDONJSA-N 309.366 -0.684 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)CCNC(N)=O)CCO1 1065141361 DGDZUPODMCNCKJ-NSHDSACASA-N 312.370 -0.645 30 20 DBED C=CC(C)(C)C(=O)N1CCO[C@H](CNC(=O)Cc2nc[nH]n2)C1 1065426245 ODYXIXJTXDGAAO-LLVKDONJSA-N 321.381 -0.097 30 20 DBED C[C@H]1CN(C(=O)CS(C)(=O)=O)C[C@@H]1Nc1cncc(C#N)n1 1067050201 ZHBXFJNJKQKNJK-ONGXEEELSA-N 323.378 -0.348 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@@H](CNC(=O)c3cn[nH]c3)C2)cn1 1067652823 YZVMYXBARRMTLO-SMDDNHRTSA-N 312.333 -0.097 30 20 DBED Cc1cc(C#N)nc(N2C[C@H]3CC[C@H]2CN3C(=O)CC(N)=O)n1 1068033634 HMEWYPAOWVAJHU-NEPJUHHUSA-N 314.349 -0.288 30 20 DBED CCNC(=O)CC(=O)N1CC2(C1)CN(C(=O)[C@H](C)C#N)CCO2 1068451255 JMQXWBCKRDWNQU-LLVKDONJSA-N 322.365 -0.888 30 20 DBED C=C[C@@H](CC)CC(=O)N1CC2(C[C@@H](NC(=O)CC(N)=O)CO2)C1 1068781360 ANPFVSPXLBLLKC-NWDGAFQWSA-N 323.393 -0.050 30 20 DBED C=CCCC(=O)N1CC2(C[C@H](NC(=O)C(C)(C)C(N)=O)CO2)C1 1068904940 DFUOSXFRZRDNRL-NSHDSACASA-N 323.393 -0.050 30 20 DBED C[C@H](C#N)C(=O)N1CC2(C[C@@H](NC(=O)CCCN(C)C)CO2)C1 1068988677 HFPSKIDTFDIGSN-CHWSQXEVSA-N 322.409 -0.026 30 20 DBED Cc1cc(C#N)nc(NC[C@H]2CC[C@@H](NC(=O)C(N)=O)C2)n1 1069501308 XGRLMBMNRFGLIJ-VHSXEESVSA-N 302.338 -0.161 30 20 DBED C#CCN[C@@H]1CN(C(=O)C[C@@H]2CCCO2)C[C@@H]1n1ccnn1 1070145814 UDRAUCSZNBNUDL-MJBXVCDLSA-N 303.366 -0.178 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)c2cnn(C)c2)CCOCC1 1070231097 MSWPXNHRHWJOEI-LLVKDONJSA-N 319.365 -0.025 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)C2(C(N)=O)CC2)CCOCC1 1070232635 NOIHXSRTPANSKU-JTQLQIEISA-N 322.365 -0.807 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCCN(C(=O)COCCC)C1 1070511946 GJMVBFXGWGRURT-CYBMUJFWSA-N 323.393 -0.340 30 20 DBED C=CCN[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1c1cncn1C 1070684521 LGUYVXCYOQQFJD-VXGBXAGGSA-N 317.393 -0.244 30 20 DBED N#Cc1cc(C(=O)N2C[C@H]3C[C@@H]4CN(CCO)C[C@]3(C2)O4)c[nH]1 1070788570 VAVUHRKGLRJCIU-XNRPHZJLSA-N 316.361 -0.206 30 20 DBED C#CCN1C[C@@H]2OC(=O)N([C@@H]3CCN(C(=O)COC)C3)[C@@H]2C1 1070897175 DBDDODJATVKLMF-UPJWGTAASA-N 307.350 -0.628 30 20 DBED C=CCOCC(=O)N[C@@H]1CCCN(C(=O)[C@H]2CCC(=O)N2C)C1 1071145130 BATSRPGUASCBQE-CHWSQXEVSA-N 323.393 -0.083 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CN(C(=O)C(C)(C)F)C[C@H]1C 1071453500 WABZVJKEKWRFEV-MNOVXSKESA-N 311.357 -0.163 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)CN2CCCC2=O)C[C@H]1C 1071556460 JHVSXVOJBRYZCK-CHWSQXEVSA-N 323.393 -0.226 30 20 DBED C=CCCC(=O)N[C@@H]1CN(C(=O)CS(=O)(=O)NC)C[C@@H]1C 1072144914 BNYMYRVZEMTKIG-WDEREUQCSA-N 317.411 -0.535 30 20 DBED C=CCCC(=O)N[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@@H]1C 1072516623 XFDJYPGNBOYYOJ-WDEREUQCSA-N 322.365 -0.533 30 20 DBED N#CCN1CCO[C@@H]2CCN(C(=O)CC3OCCCO3)C[C@@H]21 1074222709 MAUWPNWHKYRKPQ-QWHCGFSZSA-N 309.366 -0.035 30 20 DBED C#CCCN1CCO[C@@H]2CCN(C(=O)C3CN(C(C)=O)C3)C[C@@H]21 1074226262 MULUCUJCTBOGIR-JKSUJKDBSA-N 319.405 -0.210 30 20 DBED CCn1nncc1C(=O)N1CC[C@H]2OCCN(CC#N)[C@H]2C1 1074237297 XCMMXUJSESAOMC-QWHCGFSZSA-N 304.354 -0.263 30 20 DBED C#CCOc1ccc(C(=O)NCC[C@H](C)NC(=O)C(N)=O)cc1 1076572939 MJMNNEQECZIBGE-NSHDSACASA-N 317.345 -0.192 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)[C@H](C)N2C(=O)CCC2=O)C1 1077087641 OHDNXIDASYUOGW-QJPTWQEYSA-N 309.366 -0.739 30 20 DBED C[C@@H](CCNC(=O)CN1CC(=O)N(C)C1=O)NC(=O)[C@H](C)C#N 1077484878 RYBNRLQKVZVELX-ZJUUUORDSA-N 323.353 -0.949 30 20 DBED C#CCOCCC(=O)N[C@@H](C)CCNC(=O)[C@@H]1CCN(C)C1=O 1077912747 ZQGIXQJSMADREX-STQMWFEESA-N 323.393 -0.484 30 20 DBED C[C@@H](CCNC(=O)[C@H](C)C#N)NC(=O)Cn1ccc(O)nc1=O 1078133807 VXOQJNPHUBQMHN-ZJUUUORDSA-N 321.337 -0.880 30 20 DBED C#CCOCCC(=O)N(CC)C1CN(C(=O)[C@@H]2CCNC2=O)C1 1079770856 NRFABPNKALGPMI-CYBMUJFWSA-N 321.377 -0.778 30 20 DBED C#CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)[C@H]2COC(=O)N2)C1 1079775052 RKQRZLKUIFGPNA-ZYHUDNBSSA-N 323.349 -0.808 30 20 DBED C=CC(C)(C)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CC(N)=O)C1 1081369136 WAMXLFCPWCYSDD-WDEREUQCSA-N 311.382 -0.600 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(C(=O)COCC2CC2)C[C@@H]1O 1081468449 KEDSJMWTMOFHPT-CABCVRRESA-N 320.389 -0.238 30 20 DBED CCCOCC(=O)N1C[C@@H](O)[C@H](CNC(=O)C#CC2CC2)C1 1081471386 MLRLDLJTWOKWEB-ZIAGYGMSSA-N 308.378 -0.238 30 20 DBED CC(C)N(C)CC(=O)NC[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1081550357 HOSXERBAGWZGKN-HUUCEWRRSA-N 321.421 -0.325 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cnn2ncccc12 1083107711 TWUBLDRCBZOMSM-UONOGXRCSA-N 312.333 -0.222 30 20 DBED C=CCCn1cc(C(=O)N2CCO[C@@H]3CN(CC#N)C[C@@H]32)nn1 1083219961 WMJQDIRSZCIVAS-UONOGXRCSA-N 316.365 -0.097 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)C(=O)N1CC[C@@H](C)C1 1083244334 SAMXJWVFBYRXKG-QLFBSQMISA-N 319.405 -0.210 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2cnn(C)c2)C[C@H]1c1cnn(C)c1 1086966293 VFECAZWZUBJSDB-LSDHHAIUSA-N 312.377 -0.015 30 20 DBED Cn1cc(C(=O)N2C[C@H]3CCN(CC#N)C[C@H]3C2)ncc1=O 1088047391 WLSVNEXGNZYHIB-NEPJUHHUSA-N 301.350 -0.302 30 20 DBED CNC(=O)NCC(=O)N[C@@H](C)C[C@H](C)Nc1nccnc1C#N 1089500911 VJEXWFZTJXVLHU-UWVGGRQHSA-N 319.369 -0.028 30 20 DBED C=CCN1CC[C@@H](NC(=O)Cn2cccc(C)c2=O)[C@@H](O)C1 1090265038 JHOWXXQINFGNBG-KGLIPLIRSA-N 305.378 -0.106 30 20 DBED C=CCN1CC[C@H](NC(=O)c2cnc3[nH]nnc3c2)[C@@H](O)C1 1090327352 QRGHFRJKGYNODL-JQWIXIFHSA-N 302.338 -0.296 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cc(N(C)C)ccn2)[C@H](O)C1 1090840443 ZSAGMQQUKCAVET-DZGCQCFKSA-N 302.378 -0.054 30 20 DBED CNC(=O)NCC(=O)N[C@H]1CCN(c2cnc(C#N)cn2)[C@@H]1C 1092057327 IFRWQIDWFZFGKL-KOLCDFICSA-N 317.353 -0.639 30 20 DBED C[C@@H]1CN(c2nccnc2C#N)C[C@H]1CCNC(=O)C(N)=O 1092576170 XMBCDRSDPQTEJY-NXEZZACHSA-N 302.338 -0.588 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1[C@@H]2CN(c3ccnc(C#N)n3)C[C@@H]21 1093265229 BDKPYCBTBFDPGT-CDMJZVDBSA-N 324.344 -0.961 30 20 DBED N#Cc1nc(=NCCCNC(=O)[C@@H]2CC[C@@H]2C(N)=O)cc[nH]1 1094702991 GZDCYBDQXWDHHU-VHSXEESVSA-N 302.338 -0.800 30 20 DBED N#CCN1CC(N2C[C@@H](NC(=O)C[C@H]3CCCCO3)CC2=O)C1 1094720326 LITLZIJPBNLLKT-GXTWGEPZSA-N 320.393 -0.130 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)[C@@H]3CCN(C)C3=O)CC2=O)C1 1094771307 JACUDXDCYAPVKT-AAEUAGOBSA-N 320.393 -0.948 30 20 DBED CS(=O)(=O)CCC(=O)N1CC[C@@H](Nc2ccc(C#N)nn2)C1 1095087617 YBEKQUQVJRBQPM-LLVKDONJSA-N 323.378 -0.204 30 20 DBED CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H](N=c2cc[nH]c(C#N)n2)C1 1095272724 GLDBTRJCQWHPFN-CMPLNLGQSA-N 316.365 -0.302 30 20 DBED CN(CCCNC(=O)CS(C)(=O)=O)c1ccc(C#N)cn1 1095506144 SRCVAQDDPBMSDJ-UHFFFAOYSA-N 310.379 -0.060 30 20 DBED CN(CCCNC(=O)[C@]1(C)CCNC1=O)c1nccnc1C#N 1095736443 VSAZOWAZSFLNHS-HNNXBMFYSA-N 316.365 -0.183 30 20 DBED N#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H]1Cc2cncn2C(=O)N1 1095805209 ANMFLIFCCJOKLV-IXOXFDKPSA-N 314.349 -0.389 30 20 DBED CCOCC(=O)NCCN1CCN(c2cncc(C#N)n2)CC1 1096262794 OFYULDOGFCPKGN-UHFFFAOYSA-N 318.381 -0.377 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@H]1CCN(c2ccc3nnnn3n2)C1 1096360385 MUNZHSPQRTVYBB-HZMBPMFUSA-N 317.353 -0.459 30 20 DBED CNC(=O)NCCC(=O)N1CC[C@H](Nc2cncc(C#N)n2)C1 1096932169 LDPFOENGTMXBAX-JTQLQIEISA-N 317.353 -0.320 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](Nc2cncc(C#N)n2)C1 1096937215 LMWKXSKMNFCRRY-NSHDSACASA-N 312.333 -0.499 30 20 DBED C[C@H](CNC(=O)[C@@H]1CCC(=O)N1C)N=c1cc[nH]cc1C#N 1098200354 UVHPXIXOMRZQCJ-MFKMUULPSA-N 301.350 -0.087 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CCC(=O)NC1)N=c1cc[nH]c(C#N)n1 1098397396 MNGDNBAXHCPDGT-VHSXEESVSA-N 302.338 -0.787 30 20 DBED C=CCCCNCc1cn([C@@H]2CCN(C(=O)C(N)=O)C2)nn1 1098711853 XYQNKQMTPYJIJJ-GFCCVEGCSA-N 306.370 -0.407 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H]1CCC(C)(C)CN1CCO 1099033959 QOIBGNBQSCQILC-ZDUSSCGKSA-N 309.410 -0.275 30 20 DBED C[C@@H](CCNC(=O)Cn1cncn1)Nc1nccnc1C#N 1099147751 WZEJRSUSRLPYGS-JTQLQIEISA-N 300.326 -0.053 30 20 DBED C#CCCN1CC[C@H](NC(=O)COc2cc(C)on2)[C@@H](O)C1 1099884665 ARKGHZFLEYYJJT-STQMWFEESA-N 307.350 -0.063 30 20 DBED CC(C)CS(=O)(=O)CC(=O)N[C@@H]1CCN(CC#N)C[C@@H]1O 1099894816 QNNRCSNLYYDPRN-NEPJUHHUSA-N 317.411 -0.868 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1CCN(CCN2CCNC2=O)C[C@@H]1O 1099960684 XLVWBWGZUPQEGR-OLZOCXBDSA-N 324.425 -0.225 30 20 DBED CCCC1(C(=O)N[C@H]2CCN(CC(=O)NCC#N)C[C@@H]2O)CC1 1100003343 FDNZDBIBTGJYEI-STQMWFEESA-N 322.409 -0.242 30 20 DBED CC#CCN1CC[C@H](NC(=O)C(C)(C)CNC(C)=O)[C@H](O)C1 1100033924 NANJJOZDCWWZHN-UONOGXRCSA-N 309.410 -0.277 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2ccncn2)[C@@H](O)C1 1100039790 VVSQSSFNVKNZJF-JSGCOSHPSA-N 304.350 -0.709 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)Cc2ncc[nH]2)[C@H](O)C1 1100048636 OOLZFDCLCMCZNQ-CHWSQXEVSA-N 306.366 -0.847 30 20 DBED C#CCN1CC[C@H](NC(=O)CCNC(=O)CC(C)C)[C@H](O)C1 1100143374 SJSNPNIKMPUWPY-UONOGXRCSA-N 309.410 -0.277 30 20 DBED C=CCNC(=O)CNC1CC(CNC(=O)[C@H]2CCNC(=O)C2)C1 1100241144 HBBFKQLSFUFAOA-CPCZMJQVSA-N 322.409 -0.701 30 20 DBED CCN(CCNC(=O)CCNC(N)=O)c1ccc(C#N)nc1 1100529238 POHGTRVNSIUKLA-UHFFFAOYSA-N 304.354 -0.046 30 20 DBED C=C(C)CNC1CC(CNC(=O)[C@H](C)NS(C)(=O)=O)C1 1100705353 AEVOGAFHERCPRK-UNXYVOJBSA-N 303.428 -0.015 30 20 DBED N#Cc1cncc(N2CCC[C@@H]2CNC(=O)CCNC(N)=O)n1 1100833126 IZDIHSQUXFNJIT-LLVKDONJSA-N 317.353 -0.508 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CN(C(=O)[C@H](CC)OC)C[C@]2(C)C1 1101153724 BHWOQCSOPFUSID-KEYYUXOJSA-N 321.421 -0.059 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@H]2CN(CC(=O)NC)C[C@@]2(C)C1 1101230934 PGHLZKDAXNSDMN-IOASZLSFSA-N 307.394 -0.449 30 20 DBED COCC#CCN1C[C@@H]2CN(C(=O)Cn3nccn3)C[C@]2(C)C1 1101250716 IYNZOECXZHTELW-ZBFHGGJFSA-N 317.393 -0.292 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H](CC)Nc1cnc(C#N)cn1 1103039433 KCGWEMAQZFKDQE-LLVKDONJSA-N 314.349 -0.206 30 20 DBED CC[C@H](CNC(=O)[C@@]1(C)CNC(=O)C1)N=c1cc[nH]c(C#N)n1 1103244515 RBSQITUPEUCERA-MEBBXXQBSA-N 316.365 -0.397 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)[C@@H]1CN(C)CCO1 1103889828 IYCXXOHHXODTJL-NEPJUHHUSA-N 318.381 -0.735 30 20 DBED C[C@H](CNC(=O)[C@H]1CC(=O)N(C)C1)CNc1cnc(C#N)cn1 1104255078 VUBSZMPPTIWICC-QWRGUYRKSA-N 316.365 -0.009 30 20 DBED C#CCNCc1cn(C2CN(C(=O)c3ccc(C#N)[nH]3)C2)nn1 1105213697 HSVYYJDCKOXPBX-UHFFFAOYSA-N 309.333 -0.102 30 20 DBED C[C@H]1C[C@@H](C(=O)N2CC(n3cc(CNCC#N)nn3)C2)CO1 1105270585 CPKSRJYLZZKOLM-WDEREUQCSA-N 304.354 -0.300 30 20 DBED C=CCNCc1cn(C2CN(C(=O)C(C)(C)NC(C)=O)C2)nn1 1105343905 BRZFGQPUJJTOCT-UHFFFAOYSA-N 320.397 -0.148 30 20 DBED Cc1cc(C(=O)NC[C@@H](O)CN=c2cc[nH]cc2C#N)n[nH]1 1105724911 ADOZSZQIDIWYLK-NSHDSACASA-N 300.322 -0.391 30 20 DBED Cc1noc2ncnc(NC[C@@H](O)CNC(=O)[C@@H](C)C#N)c12 1105773489 IKOJJYHDVSSGDJ-IONNQARKSA-N 304.310 -0.025 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)c2cnnc(O)c2)nc1 1105993201 ICADSDOPNQPLDT-NSHDSACASA-N 314.305 -0.348 30 20 DBED N#Cc1nccnc1NC[C@H](O)CNC(=O)Cc1cscn1 1106127213 VVCCQXKWMMKYEO-SNVBAGLBSA-N 318.362 -0.064 30 20 DBED C[C@@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)[C@@H]1CCNC(=O)C1 1106252539 IZNGPSPCCAAJIT-WDEREUQCSA-N 316.365 -0.397 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)[C@@H]2CN(C)C(=O)N2)C[C@H]1C 1106524978 XKYLZBCWSWDKQI-MCIONIFRSA-N 322.409 -0.656 30 20 DBED N#Cc1nccnc1NC/C=C/CNC(=O)[C@H]1COCCO1 1107050189 DQYFOAHTEREIEI-YYRQZUAOSA-N 303.322 -0.152 30 20 DBED CN1CC[C@@H](C(=O)NC/C=C/CN=c2cc[nH]c(C#N)n2)C1 1107200846 VMHCZTDLXDYGHZ-QAVQXKDTSA-N 300.366 -0.194 30 20 DBED N#Cc1ccc(NC/C=C\CNC(=O)C[C@@H]2CCNC2=O)nn1 1107375643 VBWUIXJYIQOEMF-BVBSBALXSA-N 314.349 -0.041 30 20 DBED C#CCOCCC(=O)NC[C@@]1(C)CN([C@H]2CCNC2=O)CCO1 1107940759 XWQPOQREPGASSD-BBRMVZONSA-N 323.393 -0.878 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)CN(C)C(=O)C1CC1 1108174219 OUSRWTPUNSCRPJ-SNVBAGLBSA-N 316.365 -0.445 30 20 DBED C[C@@H](CNc1nccnc1C#N)NC(=O)C[C@@H]1CC(=O)NC1=O 1108435687 NAHNOYUAVTXKLV-DTWKUNHWSA-N 316.321 -0.682 30 20 DBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CNC(=O)CC 1109074516 PKZKHVKNBFNIIV-AGIUHOORSA-N 322.409 -0.464 30 20 DBED C[C@H](CC(=O)N[C@H](C)CN(C)c1nccnc1C#N)NC(N)=O 1109096385 AXNLQTOYESGLFH-NXEZZACHSA-N 319.369 -0.264 30 20 DBED C=CCOCCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cn1ncnn1 1109292776 FUNZVBNZSZADNK-AGIUHOORSA-N 306.370 -0.403 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1[C@H]2C[C@H]1N(c1ccnc(C#N)n1)C2 1109703977 ITUIRGBYXMSOAV-LYOVBCGYSA-N 324.344 -0.819 30 20 DBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cnnn1C 1110503858 LFWAGIJSQPFQHC-UTUOFQBUSA-N 318.381 -0.548 30 20 DBED N#Cc1cnc(NCCN(CCO)C(=O)Cc2cc[nH]n2)cn1 1111442889 NJLRBHRAQOKIET-UHFFFAOYSA-N 315.337 -0.453 30 20 DBED N#Cc1cncc(NCCN(CCO)C(=O)[C@]2(F)CCOC2)n1 1111546654 UOOMNCYOGJFEPY-AWEZNQCLSA-N 323.328 -0.290 30 20 DBED CN(CCCN(C)c1ccncc1C#N)C(=O)CNC(N)=O 1112034186 WORZRZBADWMYGP-UHFFFAOYSA-N 304.354 -0.094 30 20 DBED CSCC(=O)NC[C@@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1112697046 JNFKRMTXOWKBBG-ZJUUUORDSA-N 307.379 -0.375 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3cccc(C)n3)[C@H]2C1 1113864275 KKJNWYABGUFLMS-VIKVFOODSA-N 312.373 -0.201 30 20 DBED N#CCSCC(=O)NC1[C@@H]2CN([C@H]3CCCNC3=O)C[C@@H]12 1113897470 VRZZJNRYCWRGQO-MXWKQRLJSA-N 308.407 -0.432 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3cncc(F)c3)[C@H]2C1 1114125737 OENOOBRAFGIOLZ-STQMWFEESA-N 316.336 -0.370 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)c3cnnc(C)c3)[C@H]2C1 1114175832 LNHFOUOSKCVRIV-STQMWFEESA-N 315.377 -0.253 30 20 DBED C[C@H](C(=O)NC(N)=O)N1C[C@H]2C(NC(=O)C#CC3CC3)[C@@H]2C1 1114257810 GOOSYGDNQNREDS-FBIMIBRVSA-N 304.350 -0.970 30 20 DBED N#Cc1cnccc1N1C[C@H]2C(CNC(=O)CNC(N)=O)[C@@H]2C1 1114500277 GKSSUIHHLKTBOW-RYUDHWBXSA-N 314.349 -0.580 30 20 DBED C#CCN1C[C@@H]2C(NC(=O)CCc3c(C)nc(O)nc3O)[C@H]2C1 1114647420 HWYGSFWNPMUVRK-RYUDHWBXSA-N 316.361 -0.192 30 20 DBED CC[C@H](NC(C)=O)C(=O)N[C@H]1[C@@H]2CN(CC#CCOC)C[C@@H]21 1114871773 HRRQAVULYLSLQQ-LJISPDSOSA-N 307.394 -0.403 30 20 DBED CC#CCN1C[C@H]2[C@H](NC(=O)[C@@H](NC(=O)COC)C(C)C)[C@H]2C1 1114939779 OPMCUCCQUPULFT-LQKXBSAESA-N 321.421 -0.157 30 20 DBED C#CCN1C[C@H]2[C@H](NC(=O)COCc3nc(CC)no3)[C@H]2C1 1115100904 LLXKMAUNYMEBRE-HBYGRHMLSA-N 304.350 -0.172 30 20 DBED C=CCCCN1C[C@H]2[C@H](NC(=O)CC[C@@H]3NC(=O)NC3=O)[C@H]2C1 1115217546 XCNVNZLOAICGKP-KZVDOYCCSA-N 320.393 -0.013 30 20 DBED C=CCN1C[C@H]2[C@H](NC(=O)CCCN3C(=O)CNC3=O)[C@H]2C1 1115219017 OMLFVBNUZSRTBD-YABSGUDNSA-N 306.366 -0.449 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)c3ccnc(C)n3)[C@H]2C1 1115248027 PIOFZTKIOXSGTI-RYUDHWBXSA-N 315.377 -0.253 30 20 DBED N#Cc1ccc(NCCCOCCNC(=O)CC(N)=O)nc1 1115395557 JYBQHLGVWTZFCO-UHFFFAOYSA-N 305.338 -0.237 30 20 DBED C[C@H](CN(C)C(=O)[C@H]1CCC(=O)N1)Nc1cncc(C#N)n1 1115656613 NVPCERIKCWQPJY-MWLCHTKSSA-N 302.338 -0.114 30 20 DBED C[C@H](NS(C)(=O)=O)C(=O)NCC1(NCC#N)CCCCC1 1115748675 CGGIGHWILAIHMF-NSHDSACASA-N 316.427 -0.144 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N1CCC[C@@H]1c1nncn1C 1117582376 RVNNDYYPPCFQPQ-WDEREUQCSA-N 307.354 -0.204 30 20 DBED C#CC1CCN(C(=O)C(=O)N(C)CC2(O)CCOCC2)CC1 1118253413 ORVYLEXMRJVMIY-UHFFFAOYSA-N 308.378 -0.142 30 20 DBED CSCCNC(=O)C(=O)NCCNc1ncccc1C#N 1118555927 IFMXAFLDECVYSL-UHFFFAOYSA-N 307.379 -0.039 30 20 DBED C[C@H](N)CCNC(=O)C(=O)NCCNc1ccc(C#N)cn1 1119353378 WAFHYFFEFYOAMH-JTQLQIEISA-N 304.354 -0.665 30 20 DBED Cc1cc(C(=O)NC[C@H](CO)N=c2cc[nH]c(C#N)n2)on1 1121061767 NFWALFBJQJLTFF-SECBINFHSA-N 302.294 -0.731 30 20 DBED CCC(=O)NCC(=O)NC[C@H](CO)Nc1ccc(C#N)nc1 1121242515 QIJUUGHWPHEDIF-GFCCVEGCSA-N 305.338 -0.632 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@@H](CO)Nc2nccnc2C#N)c1 1121265329 JRADKZBEWZIXKE-JTQLQIEISA-N 311.305 -0.249 30 20 DBED C=CCn1c(C[C@H](O)CC#N)nnc1N1CCN(C)C(=O)C1 1121631422 ZMWNPWHQLPWGFG-LLVKDONJSA-N 304.354 -0.440 30 20 DBED Cc1c[nH]nc1C(=O)N(C)C[C@H](O)CN=c1cc[nH]cc1C#N 1124284048 VIPYKFXDBMGXJT-GFCCVEGCSA-N 314.349 -0.048 30 20 DBED CN(C[C@H](O)CNc1cnc(C#N)cn1)C(=O)CN1CCCC1 1124352972 RZEYRFGIYQIYQZ-CYBMUJFWSA-N 318.381 -0.325 30 20 DBED C=CCOCC(=O)NCCNCc1cn(C[C@H]2CCOC2)nn1 1124768017 QMLQJPAQCXDIKY-CYBMUJFWSA-N 323.397 -0.277 30 20 DBED N#Cc1c[nH]c(C(=O)NCCNC[C@@H](O)Cn2cccn2)c1 1125370259 KTQQUBZQPWKDSD-GFCCVEGCSA-N 302.338 -0.537 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)[C@@H]1CC1(F)F 1126787379 FKTGTBYHWSATHT-IUCAKERBSA-N 318.324 -0.252 30 20 DBED N#Cc1cncc(N2CCC(C3(NC(=O)C(N)=O)CC3)CC2)n1 1127140342 OVGCFVIZSYFIDT-UHFFFAOYSA-N 314.349 -0.301 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1ncccc1NC(C)=O 1128964026 JXDRPQJOGCDJJE-UHFFFAOYSA-N 317.349 -0.891 30 20 DBED C[C@H]1CCN(C(=O)C#CC2CC2)C[C@H]1CNCC(=O)NC(N)=O 1132819441 PCSHHICCOWIABW-WCQYABFASA-N 320.393 -0.331 30 20 DBED C[C@H]1CCN(C(=O)CN2CCC(=O)NC2=O)C[C@H]1CNCC#N 1133234629 UWZHGTPUFDFBOQ-NWDGAFQWSA-N 321.381 -0.474 30 20 DBED CCn1ncc(C(=O)N[C@H](C)C[C@@H](C)NCC(=O)NCC#N)n1 1134265225 KWSAWANQYUHQMQ-GHMZBOCLSA-N 321.385 -0.576 30 20 DBED C=CCNC(=O)CNCCNC(=O)C(=O)N1CCC[C@@H](C)C1 1134874805 KIUGXFXSRVWDLS-GFCCVEGCSA-N 310.398 -0.747 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)[C@@H]1[C@H]2COC[C@H]21 1135230518 OLSWQUREPKSAEN-NTASLKFISA-N 307.394 -0.499 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)c1cn(C)c(=O)n(C)c1=O)NCC#N 1135613694 HMUOCYZQVFEKRS-VHSXEESVSA-N 307.354 -0.906 30 20 DBED C#CCN[C@H](C)C[C@@H](C)NC(=O)c1cn(C)c(=O)n(C)c1=O 1135614337 RAOFIKGCKARMFW-GHMZBOCLSA-N 306.366 -0.796 30 20 DBED COCCCNC(=O)CN1CCC2(C1)CN(C(=O)[C@@H](C)C#N)C2 1147225501 LGGTZSIOBBIIOJ-ZDUSSCGKSA-N 322.409 -0.167 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCC2(CN(C(=O)c3cnn[nH]3)C2)C1 1147846689 KBSKXBHYBCAXBF-LLVKDONJSA-N 318.381 -0.357 30 20 DBED CCCCS(=O)(=O)NCC(=O)NCCNCC#CCOC 1149172828 HHZMNYKYVOPMJE-UHFFFAOYSA-N 319.427 -0.939 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(Cc2nnnn2C)CCCO1 1149432389 SKQHWVWATKXRPX-LBPRGKRZSA-N 324.385 -0.880 30 20 DBED COCC#CCNCCNC(=O)Cc1c(C)nc(C)nc1O 1150977247 CFBOASDQQSCRTQ-UHFFFAOYSA-N 306.366 -0.303 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1noc2c1COCC2 1151708214 XYGOPZLOHWXIQK-JTQLQIEISA-N 320.349 -0.795 30 20 DBED C=CCn1cc(C(=O)NC[C@@H](C)N(CC)CC(=O)NC)nn1 1155688226 KOIZIXVRDJMUPX-LLVKDONJSA-N 308.386 -0.350 30 20 DBED C#CCNC(=O)CC(=O)NCCCNCc1nnc(C)s1 1156847927 KXWNYOXONCXXHQ-UHFFFAOYSA-N 309.395 -0.418 30 20 DBED C=CCNC(=O)CNCCCNC(=O)c1cc2n(n1)CCCO2 1162305749 ZJLSCFHRIJYRIW-UHFFFAOYSA-N 321.381 -0.323 30 20 DBED C#CCNC(=O)CNCC1(CCNC(=O)c2cnn(C)c2)CC1 1163383804 XTHDHXVGPDAUFY-UHFFFAOYSA-N 317.393 -0.341 30 20 DBED C=C(C)CNCC1(CCNC(=O)CN2CC(=O)NC2=O)CC1 1167468549 HQNSNKIRANIYOR-UHFFFAOYSA-N 308.382 -0.010 30 20 DBED CC(C)C(=O)N1CC[C@@H]2OCCN(CC(=O)NCC#N)[C@H]2C1 1176912508 KYOKYWQGDMZOLI-STQMWFEESA-N 308.382 -0.416 30 20 DBED N#CCSCC(=O)N1CC[C@H]2OCCN(CCCO)[C@@H]2C1 1176929322 GHHOOUQBRCSUHC-CHWSQXEVSA-N 313.423 -0.073 30 20 DBED CC#CCN1CCO[C@@H]2CCN(C(=O)CN(C)C(C)=O)C[C@H]21 1176929627 JPCAIRCLZQIIID-HUUCEWRRSA-N 307.394 -0.210 30 20 DBED C=CCCC(=O)N1CC[C@@H]2OCCN(Cc3nnnn3C)[C@@H]2C1 1176949019 IJJCDHZMBMUIOD-OLZOCXBDSA-N 320.397 -0.022 30 20 DBED C#CCCN1CCO[C@H]2CCN(C(=O)CCNC(N)=O)C[C@H]21 1177143090 BEYZYWOKHOLLJK-OLZOCXBDSA-N 308.382 -0.630 30 20 DBED C[C@H]1[C@@H](NC[C@H](O)CN2CCCC2=O)CCN1C(=O)[C@H](C)C#N 1178350760 ABIBWEKKIIFQQW-RFGFWPKPSA-N 322.409 -0.292 30 20 DBED C#CCNC(=O)CNCCCCCCNC(=O)c1nc[nH]n1 1179850366 BUWVORUOCMEKIU-UHFFFAOYSA-N 306.370 -0.566 30 20 DBED C#CCNC[C@]1(C)CN(C(=O)[C@H]2COCCN2C(C)=O)C[C@H]1C 1183465622 SKVXMIUKHQWLNH-FRFSOERESA-N 321.421 -0.059 30 20 DBED CC#CCN[C@@H]1CCN(C(=O)c2coc(S(N)(=O)=O)c2)C1 1183722419 SCWLGKQGBGKLFT-LLVKDONJSA-N 311.363 -0.246 30 20 DBED CCN(C)C(C)(C)C(=O)N1CC[C@@H](NCC(=O)NCC#N)C1 1183771894 DLMYVOAGZXEJOY-GFCCVEGCSA-N 309.414 -0.453 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)[C@H]3CCOC3)[C@@H]2C1 1187100328 BZOGCYPLCGZSSF-MELADBBJSA-N 305.378 -0.695 30 20 DBED C=CCCOCC(=O)N1CC[C@@H](NCCN2CCNC2=O)C1 1188294670 ZUVAVEUEXGYNOE-CYBMUJFWSA-N 310.398 -0.205 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC[C@H](N(C)CC(=O)NCC#N)C1 1189919225 ZKZVXCHPBJWSIK-SWLSCSKDSA-N 308.382 -0.514 30 20 DBED C=CCCO[C@H](C)C(=O)N[C@@H]1CN(Cc2cnon2)C[C@H]1O 1191614904 QPOQODHFJBQBJS-RAIGVLPGSA-N 310.354 -0.288 30 20 DBED CC(C)N(C(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)C#N)C1)C(C)C 1191864285 NAVLOLBUUPLWGC-BFHYXJOUSA-N 324.425 -0.047 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(CC(=O)Nc2ccon2)C[C@H]1O 1192525742 YZGVPGAZXGVJRZ-VXGBXAGGSA-N 320.349 -0.422 30 20 DBED CCn1c(C)nnc1CN1C[C@@H](O)[C@H](NC(=O)C#CC(C)C)C1 1192751768 KEPKMAGIIZJJAF-ZIAGYGMSSA-N 319.409 -0.073 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN([C@@H](C)c2ncccn2)C[C@H]1O 1192891415 MMWOZGBVNYQODW-BFHYXJOUSA-N 318.377 -0.261 30 20 DBED C=CCN(C)[C@@H]1CCN(C(=O)CNC(=O)Cn2cncn2)C1 1194239547 ZLOKAABQZMPRTQ-GFCCVEGCSA-N 306.370 -0.887 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)C1 1194831820 GYNSQNPTOOCQAD-LPWJVIDDSA-N 311.382 -0.853 30 20 DBED COc1ccccc1[C@H](CNC(=O)[C@@H]1CNC(=O)N1)NCC#N 1198875501 BFGSCGLYDDEULH-RYUDHWBXSA-N 317.349 -0.353 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@H](c2cccnc2)N(C)C)C1 1199128717 SPSTYVAZPITWIR-KFWWJZLASA-N 302.378 -0.521 30 20 DBED CSCC(=O)N1CCCO[C@@H](CNCC(=O)NCC#N)C1 1199764089 WVSGJPAGUNUMIZ-NSHDSACASA-N 314.411 -0.804 30 20 DBED C=CCNC(=O)CNC[C@@H]1CN(C(=O)c2cc[nH]n2)CCCO1 1199913081 IVDITHUMFOLWKN-GFCCVEGCSA-N 321.381 -0.467 30 20 DBED C#CCNC[C@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)CCCO1 1200796523 ZNPTWIRAWKXCAK-QLFBSQMISA-N 309.410 -0.454 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCC(NC[C@@H](O)COC)CC1 1201094114 ODLWLSUPEYEOPJ-CVEARBPZSA-N 323.437 -0.328 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CCN(C(=O)c2n[nH]cc2F)CC1 1202372586 SXSAWVQJHSNQIS-SNVBAGLBSA-N 321.356 -0.119 30 20 DBED C=CCOCCN[C@H]1C[C@H]2CC[C@H]1N(C(=O)c1nnn(C)n1)C2 1204634448 KSVQUUQRYHMFKP-FRRDWIJNSA-N 320.397 -0.005 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)Cn2cc(C)cn2)C1 1207549635 KVLAHWGKLBSVPD-AWEZNQCLSA-N 317.393 -0.478 30 20 DBED COCC#CCN[C@@H]1CCCN(C(=O)CS(C)(=O)=O)C1 1207560640 FMXIBFVOYUIXGC-GFCCVEGCSA-N 302.396 -0.739 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)CCN(C)CC)C1 1210494764 XQAJFALROVTCNY-AWEZNQCLSA-N 308.426 -0.342 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)CN2CCCC2)C1 1211082728 UMYVQXLKPVGWPJ-AWEZNQCLSA-N 308.426 -0.035 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)CNC(=O)c1ccncc1 1212311536 RGYTZSAVNWOGBB-CHWSQXEVSA-N 317.349 -0.850 30 20 DBED C=C(C)CCN[C@@H]1CN(C(=O)C[C@@H]2NC(=O)NC2=O)C[C@H]1C 1214879085 OEWAYCLTQXDDML-GRYCIOLGSA-N 308.382 -0.013 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)Cc2nc[nH]n2)C[C@H]1C 1216314986 VZBXIIQLSCXPFM-GRYCIOLGSA-N 320.397 -0.526 30 20 DBED C=CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CNS(=O)(=O)CC 1218058195 XRWIODARXBBDKF-NWDGAFQWSA-N 317.411 -0.977 30 20 DBED N#Cc1ccc(CN2C[C@H](O)[C@H](NC(=O)CC(N)=O)C2)s1 1219402725 GMWQUEZGNYYLNH-MNOVXSKESA-N 308.363 -0.844 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)C(=O)NCc2ccc(F)cc2)C1 1220511751 MVSFLBVJWBMHFG-KGLIPLIRSA-N 319.336 -0.764 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)CN3CCCC3)[C@@H]2C1 1222016425 IXNVKIAVIKAFRE-HUUCEWRRSA-N 318.421 -0.636 30 20 DBED CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]1CCCC[C@H]1NCC#N 1229151651 YHGRTABIZDIPPY-UPJWGTAASA-N 323.397 -0.703 30 20 DBED C#CCN[C@@H]1CCCC[C@H]1NC(=O)CC[C@@H]1NC(=O)NC1=O 1230098884 PZKQJPDEHRJJGG-UTUOFQBUSA-N 306.366 -0.375 30 20 DBED N#CCN1CCS(=O)(=O)[C@H](CCNC(=O)c2cccnc2)C1 1230410675 LQCJFFHGUPCEJP-CYBMUJFWSA-N 322.390 -0.176 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)CSCC#N 1230814236 AQNFWDKDXGNRSQ-LBPRGKRZSA-N 308.407 -0.475 30 20 DBED C=CCOCC(=O)N(C)C[C@H]1CCN1[C@H](C)C(=O)NC(N)=O 1231246891 IVQZSTLZHODIPF-GHMZBOCLSA-N 312.370 -0.695 30 20 DBED Cc1cc(CC(=O)N(C)C[C@@H]2CCN2CC(=O)NCC#N)no1 1231333323 DDUFZLXTURHMLC-ZDUSSCGKSA-N 319.365 -0.302 30 20 DBED CN(C[C@@H]1CCN1CC(=O)NCC#N)C(=O)c1c[nH]c(C#N)c1 1233782477 XOFQUTHJTINLRM-ZDUSSCGKSA-N 314.349 -0.328 30 20 DBED C=CCN(C(=O)c1cccc(C(N)=O)n1)[C@H]1CCS(=O)(=O)C1 1254435527 WCUSBTPPINOWIT-JTQLQIEISA-N 323.374 -0.004 30 20 DBED C=C(C)COCCNC(=O)C(=O)N1CCOC[C@@H]1C[C@@H](C)O 1256792102 NLLWZGKHONIBEO-OLZOCXBDSA-N 314.382 -0.306 30 20 DBED CNC(=O)C1CCC(NC(=O)C(=O)N2CC[C@@](F)(C#N)C2)CC1 1257464712 NRVNOQPLSBFVJB-QKFMDRJYSA-N 324.356 -0.128 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)c2nn(CC)nc2C)C1 1266363060 CJMRAANTJPYMKZ-LBPRGKRZSA-N 318.381 -0.840 30 20 DBED C#CCN(CC)C(=O)C(=O)Nc1ccc(=O)n(CCOC)c1 1318027342 ZZPUXTNIGUQPSS-UHFFFAOYSA-N 305.334 -0.085 30 20 DBED C=CCn1cnnc1S(=O)(=O)CC(=O)NCC(F)(F)F 1322447843 SVJUXSBGIRSZSQ-UHFFFAOYSA-N 312.273 -0.084 30 20 DBED Cn1nc2c(c1NC(=O)C(=O)N1CCO[C@H](C#N)C1)CCC2 1324549137 ABRCEOFHPVWUOR-SECBINFHSA-N 303.322 -0.402 30 20 DBED CN(C(=O)C(=O)NCc1ccc(C#N)cc1)[C@@H]1CCNC1=O 1326152441 JPIDXVGZZYORLT-GFCCVEGCSA-N 300.318 -0.479 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N[C@H]1CCN(C(=O)OCC)C1 1327439187 WTBPQDBPJJGVON-ZDUSSCGKSA-N 319.361 -0.182 30 20 DBED C=CCCC[C@@H](C)NC(=O)C(=O)NCCS(=O)(=O)NCC 1328913207 MXQOPULTQVDXKU-LLVKDONJSA-N 319.427 -0.097 30 20 DBED CO[C@H]1CCN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1 1351766845 BGFGEFVMXAVUEU-OLZOCXBDSA-N 306.366 -0.568 30 20 DBED C=C(C)Cn1nnnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1352157485 MZJCVKVHCSRMTD-SNVBAGLBSA-N 305.342 -0.278 30 20 DBED CO[C@H]1CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)[C@@H](C)C1 1362436010 SZVLSVDSWXGWCF-ONGXEEELSA-N 306.322 -0.154 30 20 DBED Cn1ccnc1[C@H]1C[C@H](NC(=O)Cn2cnc(C#N)n2)CCO1 1362535756 JYGVFTFSDIGNKA-GHMZBOCLSA-N 315.337 -0.080 30 20 DBED COCCn1nc(C(=O)N2CCN(CCC#N)CC2)ccc1=O 1363624127 HWXKUGFZNOXLKM-UHFFFAOYSA-N 319.365 -0.439 30 20 DBED N#Cc1ccnc(CN2CCC[C@@H](CNS(N)(=O)=O)C2)c1 1364320894 HLRDYBKAHQRGHB-LBPRGKRZSA-N 309.395 -0.042 30 20 DBED Cn1cnnc1[C@@H]1CCN(c2[nH]c(=O)n(C)c(=O)c2C#N)C1 1364589422 XOGUKKGTWBDBEY-MRVPVSSYSA-N 301.310 -0.932 30 20 DBED N#CC1(CNS(=O)(=O)N2CCCOCC2)CCOCC1 1364977940 XAABZCXKDXNXMW-UHFFFAOYSA-N 303.384 -0.137 30 20 DBED C=C(Cl)CN1CC([C@H](C)NC(=O)CS(=O)(=O)NC)C1 1369097177 CBKSWVVSCUZMGU-VIFPVBQESA-N 309.819 -0.275 30 20 DBED CCCn1ncnc1CN1CC(O)(CNC(=O)[C@@H](C)C#N)C1 1380582836 XEZXPWBZICIRME-NSHDSACASA-N 306.370 -0.489 30 20 DBED CCS(=O)(=O)CC(=O)N[C@@H]1CCN(C(=O)[C@H](C)C#N)C1 1385581648 XQZNWCBXFLEXJV-NXEZZACHSA-N 301.368 -0.702 30 20 DBED CCN(C(=O)CCn1cnnn1)[C@H]1CCN(C(=O)[C@@H](C)C#N)C1 1387991841 JZMGYNISTUSMLV-RYUDHWBXSA-N 319.369 -0.328 30 20 DBED C[C@H](C#N)C(=O)N(C)C[C@@H]1CCN(C(=O)CCn2cnnn2)C1 1388897485 XGFSUJBTAIDOJJ-NEPJUHHUSA-N 319.369 -0.470 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCN(C(=O)CCNC(N)=O)C2)C1 1396275298 LLCMSLXUNYQJCY-SNVBAGLBSA-N 307.354 -0.735 30 20 DBED CC(=O)NCC(=O)NC[C@H](NC(=O)c1cc(C#N)c[nH]1)C(C)C 1399541346 WLABWEXJAAFPED-ZDUSSCGKSA-N 319.365 -0.107 30 20 DBED C[C@H](C#N)C(=O)NC1CN(C(=O)C2CCS(=O)(=O)CC2)C1 1409101008 GOCROKMGDSKQKD-SECBINFHSA-N 313.379 -0.702 30 20 DBED CO[C@@H]1CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)C[C@H]1C 1412981650 MUFDSVPXBHNCIJ-MWLCHTKSSA-N 306.322 -0.296 30 20 DBED Cn1cnnc1[C@@H]1CCCN(c2[nH]c(=O)n(C)c(=O)c2C#N)C1 1413882288 YONDEPDELIYXKB-SECBINFHSA-N 315.337 -0.542 30 20 DBED C[C@H](CCNC(=O)c1cc(C#N)c[nH]1)NC(=O)[C@@H]1CCC(=O)N1 1415377431 MHINUYGHGKBQBN-KOLCDFICSA-N 317.349 -0.210 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]1CNC(=O)Cn1ccccc1=O 1417025137 KLIRBPMSTWZRLT-VXGBXAGGSA-N 302.334 -0.275 30 20 DBED CCn1nc(C)c(C(=O)N(C)C[C@@H](O)CNC(=O)[C@H](C)C#N)n1 1425833070 QGOKADGRLQIXPO-KOLCDFICSA-N 322.369 -0.685 30 20 DBED C[C@@H](C#N)C(=O)NCCN1CCN(C(=O)Cc2cnc[nH]2)CC1 1429801276 WKPUMTWFRNNQLK-LBPRGKRZSA-N 318.381 -0.628 30 20 DBED COC(=O)C1(C#N)CCN(C(=O)C[C@@H]2SC(=N)NC2=O)CC1 1433988923 UOCCKHVLWIBTNM-QMMMGPOBSA-N 324.362 -0.152 30 20 DBED Cc1onc(CC(=O)N2CC[C@H]3OCC(=O)N[C@@H]3C2)c1C#N 1450916693 OXVROGPJOULHPC-VXGBXAGGSA-N 304.306 -0.487 30 20 DBED N#Cc1c[nH]nc1NC(=O)C1=CC=CN2CCS(=O)(=O)N=C12 1452030536 MKUHCVAKHDSWAK-UHFFFAOYSA-N 318.318 -0.283 30 20 DBED Cc1[nH]c(C#N)cc1C(=O)NCCc1nnc2c(=O)[nH]ccn12 1455733861 AEINXZCIIMCHPA-UHFFFAOYSA-N 311.305 -0.102 30 20 DBED C[C@@H](NC(=O)Cn1cc(C#N)c(O)nc1=O)[C@H]1CCCOC1 1466325584 GSKNECWNENKYJF-ZJUUUORDSA-N 306.322 -0.248 30 20 DBED CCN(CC(=O)NC(N)=O)CC1CCN(C(=O)[C@@H](C)C#N)CC1 1485029301 NGVQXWICOBNZPC-NSHDSACASA-N 323.397 -0.099 30 20 DBED CCOCC(=O)N[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1O 1489284917 KCHSDOVDYQONEM-VXGBXAGGSA-N 306.322 -0.776 30 20 DBED C[C@@H](C#N)C(=O)N(C)C[C@H]1CCN(C(=O)c2ncn(C)n2)C1 1497892192 AGSXRQRBEOHLHL-WDEREUQCSA-N 304.354 -0.105 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCN(C(=O)[C@H](C)CC(N)=O)C2)C1 1512322620 WHMNWEVQTQPHJG-MNOVXSKESA-N 306.366 -0.282 30 20 DBED C=C(Cl)CN1CCC[C@](CO)(NC(=O)CNC(=O)O)C1 1573339906 YXXLYWXNBFMCOE-LBPRGKRZSA-N 305.762 -0.050 30 20 DBED N#Cc1ccc(C(=O)NCC2(O)CN(CCc3cnn[nH]3)C2)[nH]1 1577712748 XPHSFXNRYPLLPN-UHFFFAOYSA-N 315.337 -0.976 30 20 DBED COCCNC(=O)C1(NC(=O)C2CC3(CNC[C@@H]3C#N)C2)CC1 1579037135 GXGDJKKZYAKGHW-AVERBVTBSA-N 320.393 -0.463 30 20 DBED Cc1nc2n(n1)C[C@@H](Nc1cnc(C#N)c(-c3nn[nH]n3)n1)CC2 1581533093 UOMAGACVIUVIOL-QMMMGPOBSA-N 323.324 -0.145 30 20 DBED C#CCN(CC(=O)O)C(=O)c1ccc(=O)n(-c2cnn(C)c2)c1 1588416044 GBEUYYWKIUWPKE-UHFFFAOYSA-N 314.301 -0.269 30 20 DBED C#CCNC(=O)CN1C[C@H](c2cnn(C)c2)C[C@@H](C(=O)O)C1 1588431517 ZOLICBZULANIHW-VXGBXAGGSA-N 304.350 -0.340 30 20 DBED C#CCC[C@H](O)CNS(=O)(=O)c1csnc1C(=O)O 1588435116 DAMXKHUNQZGXPP-ZETCQYMHSA-N 304.349 -0.106 30 20 DBED C=C(C)C[C@H](NC(=O)C[C@@]1(C)CCS(=O)(=O)N1)C(=O)O 1588541346 WSRMFGPHERSKMI-JOYOIKCWSA-N 304.368 -0.006 30 20 DBED C=C(Cl)C[C@H](N)C(=O)N1C[C@H](C(=O)O)[C@@H](C(=O)OC)C1 1588637015 CKOPJPOPTSOESZ-CIUDSAMLSA-N 304.730 -0.212 30 20 DBED CC(C)C#CC(=O)N(C)CCOCCNC(=O)[C@@H]1C[C@@H]1C(=O)O 1590926963 NAXJUXCAAKMWPL-OLZOCXBDSA-N 324.377 -0.042 30 20 DBED CN(C(=O)[C@](C)(C#N)CC(=O)O)[C@@H]1CCN(S(C)(=O)=O)C1 1593676445 PNVCPLZEMCRHLK-SKDRFNHKSA-N 317.367 -0.517 30 20 DBED CCO[C@@H]1C[C@@](NC(=O)Cn2cnc(C#N)n2)(C(=O)O)C1(C)C 1596817147 BADRBOHGPJJDDR-YMTOWFKASA-N 321.337 -0.076 30 20 DBED COC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](C)n1cnc(C#N)n1 1598891280 FPOXONXRQQOSHS-JGVFFNPUSA-N 309.282 -0.767 30 20 DBED COC[C@]1(C(=O)O)CCCN1C(=O)[C@@H](C)n1cnc(C#N)n1 1599191507 UKKBOAZHSXVBSW-RNCFNFMXSA-N 307.310 -0.197 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)N2CC[C@@H](C(=O)O)C2)CCN1C1CC1 1601060563 CLKAABFAKACIFI-PWSUYJOCSA-N 320.349 -0.882 30 20 DBED N#Cc1cccc(N2CCN(CC(=O)NCCC(=O)O)CC2)n1 1601122804 UDOQPYKKGSIYJL-UHFFFAOYSA-N 317.349 -0.334 30 20 DBED C=CCCn1cc(C(=O)n2ncc(-c3nn[nH]n3)c2N)nn1 1602846129 BJWRDJWJXWOOCB-UHFFFAOYSA-N 300.286 -0.499 30 20 DBED C[C@@H](C#N)OCCN(C)CCCc1[nH]nc(N)c1-c1nn[nH]n1 1602989854 UXLPNEARQNIJEM-VIFPVBQESA-N 319.373 -0.035 30 20 DBED Cc1cc(C#N)cnc1C(=O)NCCn1cc(C(=O)O)nn1 1610432903 OYAXFISDQKBFII-UHFFFAOYSA-N 300.278 -0.019 30 20 DBED C#CCN[C@@H](C)[C@H]1CCCCN1C(=O)CN1CCOCC1=O 1752146511 MQDXXXDMALDQLV-UONOGXRCSA-N 307.394 -0.162 30 20 DBED C[C@H](C#N)C(=O)NCCCN1CCN([C@@H]2CCNC2=O)CC1 1752341715 NPWLXMWJWPLRQU-CHWSQXEVSA-N 307.398 -0.842 30 20 DBED N#CCNC(=O)CN[C@H](CNC(=O)C1=CCOCC1)C1CC1 1752461080 XGKJAMVDIVZLJJ-CYBMUJFWSA-N 306.366 -0.543 30 20 DBED C#CCNC(=O)CN(C)CCNC(=O)c1cnn(C)c1C1CC1 1753074956 JCOUHOXPBJUIBG-UHFFFAOYSA-N 317.393 -0.292 30 20 DBED Cc1c[nH]nc1C(=O)NCC[C@@H]1CCN(CC(=O)NCC#N)C1 1753327176 BCWSXJKMHRKYEQ-GFCCVEGCSA-N 318.381 -0.200 30 20 DBED COCCCC(=O)N1CC[C@H](CN(C)CC(=O)NCC#N)C1 1753353826 BBUONWXRWYGCOK-CYBMUJFWSA-N 310.398 -0.167 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H](CC)CNC(=O)c1n[nH]c(C)c1O 1753470790 YUTSKHFKJGSAQK-QWRGUYRKSA-N 321.381 -0.340 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC[C@H]1CNC(=O)CCn1cncn1 1754473718 OXTBOJQKVQDOKL-OLZOCXBDSA-N 320.397 -0.451 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCN1CC(=O)NCC#N 1754493797 GECMCFIEHFMKKK-UPJWGTAASA-N 306.366 -0.592 30 20 DBED C=C(C)CN1CC[C@@H]1CNC(=O)Cn1ncn2nccc2c1=O 1754495613 OBBJQMMVUCYNHS-GFCCVEGCSA-N 316.365 -0.342 30 20 DBED C=CCNC(=O)NC(=O)CN1CC(N(C)C(=O)[C@H](F)CC)C1 1754580065 MQWRCRRENOCWKY-LLVKDONJSA-N 314.361 -0.111 30 20 DBED C#CCNC(=O)CN1CC(N(C)C(=O)C[C@@H]2CCN(C)C2)C1 1754585510 YAEYPNHVUFHAJA-ZDUSSCGKSA-N 306.410 -0.780 30 20 DBED C#CCNC(=O)CNC[C@@H]1CCCN1C(=O)[C@@]1(F)CCOC1 1754616220 TWFBWKBABCHUIQ-SWLSCSKDSA-N 311.357 -0.555 30 20 DBED N#Cc1ccc(CN2CC[C@](O)(CNC(=O)C(N)=O)C2)s1 1754754516 MCVJOBNYMGBSCZ-ZDUSSCGKSA-N 308.363 -0.842 30 20 DBED CNC(=O)[C@@H](C)NC1CCN(CCNC(=O)C#CC2CC2)CC1 1754848436 GIEPPSBPKOBZAF-CYBMUJFWSA-N 320.437 -0.296 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](CNC(=O)CNC(=O)CC)[C@H]2C1 1755421648 VCVVGOURWHCUPF-XYYAHUGASA-N 322.409 -0.891 30 20 DBED C[C@@H]1[C@H](NCC(=O)NCC#N)CCN1C(=O)c1cc(C#N)c[nH]1 1755650696 PSSHBVPWJOMLLP-ZYHUDNBSSA-N 314.349 -0.281 30 20 DBED O=C(C#CC1CC1)NC[C@H](CO)NC(=O)CCOCC(F)F 1756520107 VAALSTGMHCIEPP-LLVKDONJSA-N 318.320 -0.335 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CC[C@H](NC(=O)c2cnn[nH]2)C1 1756644814 OPBVVXGQKRCXIU-NEPJUHHUSA-N 319.365 -0.141 30 20 DBED CN(C[C@@H](O)CNC(=O)c1cnc(O)n1C)C(=O)C#CC1CC1 1756662965 PZGVYWVQZRJYGC-NSHDSACASA-N 320.349 -0.912 30 20 DBED C=CCCC(=O)NC[C@@H](O)CN(C)C(=O)[C@@H]1CC(=O)N(C)C1 1756666591 BZHQTDLRCJDLQP-VXGBXAGGSA-N 311.382 -0.634 30 20 DBED C=CCOCC(=O)N(C)C[C@@H](O)CN(C)C(=O)C#CC1CC1 1756682768 BLRLXZKAGTWNBZ-AWEZNQCLSA-N 308.378 -0.120 30 20 DBED C=CCOCC(=O)N(C)C[C@H](O)CN(C)C(=O)C#CC1CC1 1756682769 BLRLXZKAGTWNBZ-CQSZACIVSA-N 308.378 -0.120 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)c2nc(C)c[nH]2)C[C@@H]1O 1757161565 GVQFUNDRVWDKKN-MNOVXSKESA-N 308.338 -0.778 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)N(C)CC)CCO2 1783053911 ADHLCASKKHIIKR-CJNGLKHVSA-N 307.394 -0.210 30 20 DBED C=CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1[nH]nnc1C 1795982511 SFOVROPLJARYHK-GNXNZQSNSA-N 319.365 -0.108 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c[nH]nc1C)C2 1800453961 NWUQALHGANCSGC-GNXNZQSNSA-N 302.334 -0.445 30 20 DBED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(N)=O 1800519888 CLZIPGKBURBXHY-DRXBFXEBSA-N 321.377 -0.745 30 20 DBED C#CC(=O)N1CCCC[C@H]1C1CCN(C(=O)CNC(N)=O)CC1 1831329804 WVFUPOSWQDWOJH-ZDUSSCGKSA-N 320.393 -0.092 30 20 DBED C#CC(=O)N1CC2(CCCN2C(=O)/C=C\C(=O)NC2CC2)C1 1844178409 JORHENAXJDNVJK-SREVYHEPSA-N 301.346 -0.342 30 20 DBED CC1CCN(/C(N)=N/CCNS(=O)(=O)NC(C)C)CC1 263299504 YYXFMHXJOGXRIZ-UHFFFAOYSA-N 305.448 -0.135 30 20 DBED C=CCN(C)C(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C 286390461 KTCBDMHBVJHVFK-CYBMUJFWSA-N 324.425 -0.310 30 20 DBED CNC(=NCc1ccc(S(=O)(=O)NCCOC)cc1)NC 303264777 SSJQUMPHQQTWQK-UHFFFAOYSA-N 314.411 -0.094 30 20 DBED CC[C@H]1CN(/C(O)=N/Cc2nnn(C)n2)CCN1CCOC 330219892 KLMFPXZFYBPEFX-NSHDSACASA-N 311.390 -0.333 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)CN1CCS(=O)(=O)CC1 333070662 OSLLOGVSWXYBRG-OCCSQVGLSA-N 316.423 -0.186 30 20 DBED Cn1c(N2CCC[C@@H](n3ccnn3)C2)c(C#N)c(=O)n(C)c1=O 333421696 JGKDQZWGPQCCII-SNVBAGLBSA-N 315.337 -0.611 30 20 DBED COc1ncc(NC(=O)[C@@H](C)n2cnc(C#N)n2)cc1C(N)=O 336966987 LLDZUXSZPXCEDW-SSDOTTSWSA-N 315.293 -0.148 30 20 DBED CN(C)[C@H]1CCCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)C1 337071199 OQOUYFMKAZCTKV-RYUDHWBXSA-N 302.400 -0.518 30 20 DBED COCCN1CN(C(=O)C(=O)Nc2ccc(C#N)cc2)CC1=O 338869014 CUEVIPYNQYARLQ-UHFFFAOYSA-N 316.317 -0.229 30 20 DBED CCOC(=O)[C@@H](CO)NS(=O)(=O)Cc1ccc(C#N)cc1 341578870 WSCNPTIQRSRDJF-GFCCVEGCSA-N 312.347 -0.098 30 20 DBED N#Cc1ccc(CNC(=O)CN2[C@H](CO)CC[C@H]2CO)cc1 347327755 HSLGRCKYHVSYNE-GJZGRUSLSA-N 303.362 -0.008 30 20 DBED CN1C(=O)C(=O)N(CC(=O)N[C@@H](C#N)c2ccccc2F)C1=O 349477881 SPTZEGOHXOXECU-JTQLQIEISA-N 318.264 -0.073 30 20 DBED C=CCNC(=O)NC(=O)CN(CC(N)=O)Cc1ccccc1 352370109 DNQNNNAFWQYJDR-UHFFFAOYSA-N 304.350 -0.014 30 20 DBED CC[C@@H](C)[C@H](NC(=O)CC#N)C(=O)NCCN1CCOCC1 356088050 DIWRFGVBZWQNIB-OCCSQVGLSA-N 310.398 -0.121 30 20 DBED C[C@H]1[C@H](N2CCOCC2)CCN1C(=O)NCC(=O)NCC#N 359569982 KEUUFPMXYZUSQU-NWDGAFQWSA-N 309.370 -0.869 30 20 DBED CNC(=O)[C@H](CO)NS(=O)(=O)c1ccc(F)cc1C#N 360151566 WAKVWQLPKGVNEW-VIFPVBQESA-N 301.299 -0.917 30 20 DBED N#C[C@@H]1CN(C(=O)CN2C(=O)NC3(CCCCC3)C2=O)CCO1 363184028 LLQDCLKNRPZTTK-LLVKDONJSA-N 320.349 -0.008 30 20 DBED CC[C@H](NC(=O)N1CCO[C@H](C#N)C1)C(=O)N1CCOCC1 408419940 QCVIXHDBTZJKNF-NEPJUHHUSA-N 310.354 -0.442 30 20 DBED C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1C[C@H]2[C@@H](O)CC[C@H]2C1 425902572 VZBOCHNMPWYTAX-HPCHECBXSA-N 308.378 -0.077 30 20 DBED C=C[C@@H]1OCC[C@H]1N=c1[nH]c(=NCCO)[nH]c(=NC(C)C)[nH]1 450764575 XJIBAXKRGBDHNX-MNOVXSKESA-N 308.386 -0.883 30 20 DBED C#CCN1CCN(C(=O)CN(CCO)C2CCOCC2)CC1 491040963 WSQVTRILURDAQA-UHFFFAOYSA-N 309.410 -0.763 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)/C=C/c2cccnc2)CC1 491790079 XGBICMJWWFHZET-AATRIKPKSA-N 312.373 -0.012 30 20 DBED N#Cc1ccc(OCC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1 519183680 UMJCSGWXFJPORU-TZMCWYRMSA-N 314.345 -0.293 30 20 DBED COC(=O)[C@H]1C[C@@H](O)CN(S(=O)(=O)c2ccc(C#N)o2)C1 592110649 BBLBOOBJQIHKFM-DTWKUNHWSA-N 314.319 -0.304 30 20 DBED C=CCCn1cc(C(=O)N2C[C@H](O)C[C@@H](C(=O)OC)C2)nn1 592924874 DCEBFGHQNPVEEB-GHMZBOCLSA-N 308.338 -0.150 30 20 DBED COC(=O)C[C@@H](O)CNS(=O)(=O)c1ccc(C#N)c(F)c1 599460966 BJUFTOODGRQKBV-SECBINFHSA-N 316.310 -0.100 30 20 DBED N#Cc1cc(F)ccc1NC(=O)C(=O)NC[C@@H]1COCCN1 599896368 AFVGZEVOKNGQJQ-LLVKDONJSA-N 306.297 -0.260 30 20 DBED CN(C)C(=O)Cn1cc(NC(=O)N2CCO[C@H](C#N)C2)cn1 610478462 XCWBQUDBTIUORI-LLVKDONJSA-N 306.326 -0.272 30 20 DBED CCC(=O)C[C@H](NS(=O)(=O)N(C)C[C@H](C)C#N)C(=O)O 650412589 OSRSQNRBAJVVOC-SCZZXKLOSA-N 305.356 -0.265 30 20 DBED C=C(C)CS(=O)(=O)N1Cc2nnc(C)n2C[C@H]1C(=O)O 663252613 NGEPNZGSUJYGMS-VIFPVBQESA-N 300.340 -0.239 30 20 DBED N#C[C@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CCO1 737682403 HXYZBXSKEKNYHC-QMMMGPOBSA-N 302.254 -0.101 30 20 DBED CN1CCN(C(=O)NCCNc2ncccc2C#N)CC1=O 741080145 FKMSHWQNKOQGQF-UHFFFAOYSA-N 302.338 -0.151 30 20 DBED C#CCCN1CCN(C(=O)c2coc(S(N)(=O)=O)c2)CC1 763989030 DAKOAYYLIUFNFS-UHFFFAOYSA-N 311.363 -0.292 30 20 DBED CCOC(=O)CON=C(C(=O)NCCN1CCC1)c1cc[nH]n1 772433050 VVONGOVWDLPYIS-UHFFFAOYSA-N 323.353 -0.485 30 20 DBED COc1c([N+](=O)[O-])ccc(C=NNC2=NC(=O)C(=O)N2)c1O 773078980 KIVFPTWFTCACPL-UHFFFAOYSA-N 307.222 -0.755 30 20 DBED C#C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(C)=O)[C@H]1CCCO1 775343521 YRALPBZRYQHIIK-MELADBBJSA-N 321.377 -0.590 30 20 DBED C#CCOCCNS(=O)(=O)N1CCC(C(=O)OCC)CC1 784454741 RVWWJQURDGTKEA-UHFFFAOYSA-N 318.395 -0.254 30 20 DBED COCCN(CCC#N)S(=O)(=O)NCc1nonc1C 800064368 SWVGBJHYLKSTKV-UHFFFAOYSA-N 303.344 -0.426 30 20 DBED C#CCOCCNC(=O)C(=O)Nc1cccc2c1CNC2=O 806969555 ZKBUJVPTCHVRBW-UHFFFAOYSA-N 301.302 -0.366 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCCN(C(C)=O)CC1)[C@H]1CCCO1 809307323 CJDASTWVZNIVTD-UONOGXRCSA-N 321.377 -0.636 30 20 DBED CON=CC(=O)NCC(=O)Nc1ccc(-n2cncn2)cc1 809646418 AYCMDNFEYFTNPC-UHFFFAOYSA-N 302.294 -0.046 30 20 DBED C[C@@H](CNC(=O)[C@@](C)(C#N)CC(=O)O)CN1CCN(C)CC1 820095480 FGPXNCNUXUQPAL-SWLSCSKDSA-N 310.398 -0.009 30 20 DBED COC(=O)CN(CC#N)S(=O)(=O)c1c[nH]c(C(=O)O)c1 831163970 IZDVDRGIKDVHFR-UHFFFAOYSA-N 301.280 -0.600 30 20 DBED CCC1(CC)NC(=O)N(CC(=O)N[C@@H]2CNC[C@H]2C#N)C1=O 834517802 ZIPNFLAZQQVYIR-NXEZZACHSA-N 307.354 -0.675 30 20 DBED N#C[C@@H]1CNC[C@@H]1NC(=O)Cn1cnc2sccc2c1=O 843463692 XOTXTQLBVCJCRC-SCZZXKLOSA-N 303.347 -0.314 30 20 DBED N#Cc1ccc(CNC(=O)[C@H]2CCCN(S(N)(=O)=O)C2)nc1 854475635 RSQIWUYVXAXQBH-NSHDSACASA-N 323.378 -0.515 30 20 DBED CC[C@@H]1COCCN1CCNS(=O)(=O)N(C)CCC#N 872643817 LCXKKGVYQUYBES-GFCCVEGCSA-N 304.416 -0.223 30 20 DBED Cc1ccn(CN2C[C@H]3C(=O)N(C)C(=O)[C@H]3C2)c(=O)c1C#N 872715299 ZEOQJLKXICWAIA-TXEJJXNPSA-N 300.318 -0.468 30 20 DBED C#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@H]1COC[C@H]1O 873977498 MLKHCIGOKMPRNI-NWDGAFQWSA-N 322.292 -0.348 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N1CC(=O)N(C)C[C@H]1C 875596396 MASQGPVJGFUPKB-VXGBXAGGSA-N 309.366 -0.780 30 20 DBED C#CCSCC(=O)N1CCC[C@@H](CNS(N)(=O)=O)C1 900223795 ZBKAGBTZRXHFLE-JTQLQIEISA-N 305.425 -0.616 30 20 DBED C=CCN(C(=O)[C@H]1OCCN(C)C1=O)[C@@H]1CCS(=O)(=O)C1 900310974 VYNPAISVKZYAEU-MNOVXSKESA-N 316.379 -0.955 30 20 DBED CN(C)CC#CCNC(=O)CS[C@@H]1CCS(=O)(=O)C1 913515870 QRSYQCKSSJHSOH-LLVKDONJSA-N 304.437 -0.412 30 20 DBED C#CCN1CCC[C@H](NC(=O)[C@@H](NC(=O)C2CC2)[C@@H](C)O)C1 923562615 AXRDIZSCSKVUBT-XBFCOCLRSA-N 307.394 -0.524 30 20 DBED C=CCn1cc(C(=O)N2CCO[C@H](CNC(=O)C3CC3)C2)nn1 944438782 ISAHJXZYOFQKIF-GFCCVEGCSA-N 319.365 -0.169 30 20 DBED C#Cc1cncc(C(=O)N2CC[C@@H](NC(=O)C(N)=O)[C@@H](C)C2)c1 945512128 ITLQTOWWHJYHSH-GXFFZTMASA-N 314.345 -0.485 30 20 DBED C=CCCn1cc(C(=O)N[C@@H]2CCN(CC(N)=O)[C@H](C)C2)nn1 947795816 IDIHRZZGVODSJQ-VXGBXAGGSA-N 320.397 -0.078 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CN2CCC(=O)NC2=O)C[C@@H]1C 947899796 NIHMVXGVJKEKRR-QWHCGFSZSA-N 320.393 -0.079 30 20 DBED C#CCCN1CC[C@H](NC(=O)CN2C(=O)CN(C)C2=O)C[C@H]1C 948011332 HULSVCVRRGMGSD-OLZOCXBDSA-N 320.393 -0.127 30 20 DBED CN1C[C@H](C(=O)N2CCOC3(CCN(CC#N)CC3)C2)CC1=O 949104812 MPVHIKGTZWIEMS-CYBMUJFWSA-N 320.393 -0.318 30 20 DBED C=CCN1CCOC2(CCN(C(=O)Cn3cnnc3O)CC2)C1 949343601 JRCLRJUCVVZQDE-UHFFFAOYSA-N 321.381 -0.137 30 20 DBED N#CCN1CCOC2(CCN(C(=O)[C@H]3CCC(=O)NC3)CC2)C1 949405803 JWXYZVOBOFGLOY-ZDUSSCGKSA-N 320.393 -0.270 30 20 DBED CN1C[C@H](C(=O)NC[C@@H]2CCN2C(=O)C#CC2CC2)CC1=O 950405374 YETWWWFHEWHWKH-OLZOCXBDSA-N 303.362 -0.405 30 20 DBED C[C@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)c1nnn(C)n1)CC2 952592286 UVFIWGFAFKXRPW-VWYCJHECSA-N 317.353 -0.425 30 20 DBED CN(C(=O)c1cn(C)c(=O)n1C)C1CN(C(=O)C#CC2CC2)C1 954557786 XMTLYYWOJDIDOW-UHFFFAOYSA-N 316.361 -0.580 30 20 DBED COc1cncc(C(=O)NC[C@H]2CN(CC#N)C[C@H]2O)c1C 958180064 XXCKFFPGMSHSMH-WCQYABFASA-N 304.350 -0.055 30 20 DBED C#CCN1C[C@H](CNC(=O)c2c(C)nn(C)c2OC)[C@@H](O)C1 958447266 ASQLSSQNWVCWSC-RYUDHWBXSA-N 306.366 -0.607 30 20 DBED Cn1ncnc1CN1C[C@@H]2C(NC(=O)c3c[nH]c(C#N)c3)[C@H]2C1 958618580 UOAPGUWVSUXZQS-RYUDHWBXSA-N 311.349 -0.125 30 20 DBED C=C(C)CN1C[C@H](CNC(=O)c2ccc(C(N)=O)cn2)[C@@H](O)C1 958744116 GLWJXVNTWHGTNW-JSGCOSHPSA-N 318.377 -0.221 30 20 DBED N#CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)Cn1cnnc1O 960260770 MFCIXSPPQDSZLI-TZMCWYRMSA-N 312.333 -0.121 30 20 DBED C=C(C)CN1C[C@H]2C(NC(=O)c3cn(C)c(=O)n(C)c3=O)[C@@H]2C1 961934551 UYVZPOOLJPIIKH-GHMZBOCLSA-N 318.377 -0.680 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)c1cnn(C)c1 964070195 HFLJCAUQZUKARB-PWSUYJOCSA-N 305.338 -0.463 30 20 DBED O=C(NC[C@@H]1COCCN1C(=O)C#CC1CC1)c1cn[nH]c1 964121681 TVURZEIUAMUJDE-CYBMUJFWSA-N 302.334 -0.220 30 20 DBED O=C(N[C@@H]1COC2(C1)CN(C(=O)C#CC1CC1)C2)c1nc[nH]n1 965768497 DMHZMGQEMUKGRR-NSHDSACASA-N 315.333 -0.682 30 20 DBED CCN(C(=O)c1nnn(C)n1)C1CN(C(=O)C#CC2CC2)C1 968248442 ONHIRUOKEFJGJD-UHFFFAOYSA-N 302.338 -0.704 30 20 DBED C#CCCN1CCO[C@@]2(CCN(C(=O)CCn3cncn3)C2)C1 972260500 AJNJTJNATNFWMR-INIZCTEOSA-N 317.393 -0.005 30 20 DBED C#CCCN1CCO[C@]2(CCN(C(=O)C(C)(C)C(N)=O)C2)C1 972423409 UNCDNDZKQNTWOP-MRXNPFEDSA-N 307.394 -0.176 30 20 DBED Cc1ccc(=O)n(CC(=O)N[C@H]2CN(CC#N)CC2(C)C)n1 977504492 UWQUFAADUOXEGE-LBPRGKRZSA-N 303.366 -0.098 30 20 DBED C#CCN1C[C@@H]2C(CNC(=O)C3CCN(C(N)=O)CC3)[C@H]2C1 979050295 TWYSQIFXMSJUNJ-ZIAGYGMSSA-N 304.394 -0.296 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)[C@@H]1CCCN(C(=O)C(N)=O)C1 984589383 UBBJFDZZRIZLNZ-OLZOCXBDSA-N 320.393 -0.981 30 20 DBED N#Cc1cc(C(=O)NC2CN(C(=O)[C@@H]3CCNC(=O)C3)C2)c[nH]1 990931011 SPDBYHGLEDMXMT-SECBINFHSA-N 315.333 -0.647 30 20 DBED O=C(N[C@@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1O)c1cncnc1 991406354 IFEBIXRYIAYFIT-KGLIPLIRSA-N 314.345 -0.418 30 20 DBED C#CCCN1CCC[C@H](NC(=O)CN2CC(=O)NC2=O)[C@H]1C 994015951 BUQGLGWFPVXRBQ-NEPJUHHUSA-N 306.366 -0.469 30 20 DBED C#CCN1CCC[C@H](NC(=O)CN2C(=O)CN(C)C2=O)[C@H]1C 994361280 GRSSMSMWVBPBMM-NEPJUHHUSA-N 306.366 -0.517 30 20 DBED C=CCn1cc(C(=O)N2CCC(N[C@@H]3CCNC3=O)CC2)nn1 997076551 YFUONGGYTOULSM-GFCCVEGCSA-N 318.381 -0.453 30 20 DBED CN1CCO[C@@H](C(=O)NCC2CN(C(=O)C#CC3CC3)C2)C1 1001295066 DSOKHWADPCXQPU-CQSZACIVSA-N 305.378 -0.695 30 20 DBED C[C@@H](C#N)C(=O)N1CC(CNC(=O)[C@@H]2CCC(=O)N(C)C2)C1 1002491725 RVDSLXICBSTODR-CMPLNLGQSA-N 306.366 -0.411 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CCCN([C@H]3CCNC3=O)C2)c[nH]1 1007159364 YMTYLUODRNKFQB-YPMHNXCESA-N 301.350 -0.031 30 20 DBED C=CC(C)(C)C(=O)N1CCN(C(=O)CS(C)(=O)=O)CC1 1010582089 YTDPMYUPNLMXRS-UHFFFAOYSA-N 302.396 -0.086 30 20 DBED C=CCn1cccc1C(=O)N1CC[C@@H](NC(=O)C(N)=O)[C@H]1C 1011832552 JOXIFYZUVFGMNN-GHMZBOCLSA-N 304.350 -0.121 30 20 DBED C[C@@H]1C[C@H](NC(=O)Cn2cnnc2O)CN1C(=O)C#CC1CC1 1012583532 ZKWRFCUVZRHKBG-PWSUYJOCSA-N 317.349 -0.497 30 20 DBED C[C@@]1(C(=O)NC2[C@H]3CN(C(=O)C#CC4CC4)C[C@H]23)CCC(=O)N1 1013731719 YAQOWODMDGREDD-PRXAMGSTSA-N 315.373 -0.359 30 20 DBED C#CCN1CCC2(CC1)C[C@@H]2NC(=O)CN1C(=O)CN(C)C1=O 1016964928 OASMSYFBUIDKCL-LBPRGKRZSA-N 318.377 -0.516 30 20 DBED C=CCN1[C@H]2CC[C@H]1CC(NC(=O)[C@@H]1CC(=O)NC(=O)N1)C2 1021395707 MUHAFXGGYAPEBE-SRVKXCTJSA-N 306.366 -0.118 30 20 DBED C=CCn1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)CC3CC3)C2)nn1 1022891514 HDRAQVYUEJHOFH-DGCLKSJQSA-N 319.365 -0.434 30 20 DBED Cc1c[nH]nc1C(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1023628721 HEWFZKQFZQPLTI-VXGBXAGGSA-N 302.334 -0.567 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)C3=CCOCC3)C2)C1=O 1030244477 CGKMUYNXFQBMOK-CQSZACIVSA-N 305.378 -0.080 30 20 DBED C=CCN1CC[C@H](N2C[C@@H]3C[C@H]2CN3C(=O)c2cnon2)C1=O 1032691621 GWMABWCEXSEFDW-GVXVVHGQSA-N 317.349 -0.245 30 20 DBED CN(C)CCn1ccc(C(=O)NC[C@H]2CN(CC#N)CCO2)n1 1035370386 KZFZOIONSUWPGA-ZDUSSCGKSA-N 320.397 -0.601 30 20 DBED N#CCN1CCO[C@@H](CNC(=O)[C@H]2CCn3cncc3C2)C1 1035414508 QJPHFCONFUZYPC-JSGCOSHPSA-N 303.366 -0.214 30 20 DBED CC[C@H]1CN(C(=O)CN2CC(=O)NC2=O)CC[C@@H]1NCC#N 1037940630 MNAZJDWXQLYQBU-QWRGUYRKSA-N 307.354 -0.722 30 20 DBED C#Cc1cncc(C(=O)NC[C@H]2CCN2Cc2nnn(C)n2)c1 1038685720 WKKFELYALYLXEL-CYBMUJFWSA-N 311.349 -0.409 30 20 DBED C#CCOCCC(=O)NC[C@@]1(O)CCN(C(=O)C#CC(C)C)C1 1039719500 VMAULNMVBVSLNY-KRWDZBQOSA-N 320.389 -0.235 30 20 DBED C=CCn1cc(C(=O)NC[C@]2(O)CCN(C(=O)CCC)C2)nn1 1039755309 SEJZEFCWCGMZNJ-OAHLLOKOSA-N 321.381 -0.043 30 20 DBED C[C@H]1[C@@H](Nc2cnc(C#N)cn2)CCN1C(=O)[C@H]1CCNC1=O 1040213223 KUIOALKFKVCONG-DLOVCJGASA-N 314.349 -0.114 30 20 DBED CN1CCC[C@H]1C(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1O 1040943964 GRAUCYHBRFOLPA-FRRDWIJNSA-N 316.365 -0.892 30 20 DBED C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1O 1041342666 QKMFWUFPFULGHQ-LHMODEAPSA-N 317.349 -0.561 30 20 DBED Cc1nocc1C(=O)N1CC(O)(CNC(=O)CSCC#N)C1 1041570809 RXCXNJXIHFKQQW-UHFFFAOYSA-N 324.362 -0.457 30 20 DBED C#CCN1CC[C@@H]2CCN(C(=O)CN3CC(=O)NC3=O)C[C@@H]21 1042273873 VOMHFVBWHQWEEW-NEPJUHHUSA-N 304.350 -0.906 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2OCC)C1 1042802901 OZFNTMWSDIVUPM-CHWSQXEVSA-N 308.378 -0.096 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(O)CN(C(=O)[C@@H]2CC23CC3)C1 1042812491 PDSJLXRNBOWPJB-SMDDNHRTSA-N 308.378 -0.197 30 20 DBED Cc1nc[nH]c1C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@@H]1O 1044034650 DHRUWRWZSKVPIZ-MNOVXSKESA-N 313.321 -0.641 30 20 DBED COc1cccnc1C(=O)NCC1(O)CN(C(=O)[C@@H](C)C#N)C1 1044306583 HFFUVKOSHJKTFO-JTQLQIEISA-N 318.333 -0.447 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)/C=C/c2ccc[nH]2)C1 1045540810 MARMNGBBUXKFCK-SGUJLRQBSA-N 302.334 -0.123 30 20 DBED C[C@]1(C(=O)N2CCN([C@@H]3CCN(CC#N)C3)CC2)CCNC1=O 1046060988 HASJBPMTHOFMKK-CJNGLKHVSA-N 319.409 -0.745 30 20 DBED CN(C)C(=O)Cn1cc(C(=O)N[C@@]2(C)CCN(CC#N)C2)nn1 1046854170 LLCMVXWIJMBPJN-AWEZNQCLSA-N 319.369 -0.916 30 20 DBED C=CCO[C@H](C)C(=O)N(C)[C@H]1CN(C(=O)[C@H](C)OC)C[C@@H]1O 1049010665 FSBIZEQOWXRHKT-RNJOBUHISA-N 314.382 -0.358 30 20 DBED C#CCOCCC(=O)N1CC[C@H]([C@H](C)NC(=O)CC(N)=O)C1 1050729233 PENBXKARIZSWLY-RYUDHWBXSA-N 309.366 -0.745 30 20 DBED Cc1nc2n(n1)C[C@H](C(=O)NC[C@H]1COCCN1CC#N)CC2 1051044730 QDDWKVSNQVNLNJ-OLZOCXBDSA-N 318.381 -0.511 30 20 DBED C=CC(C)(C)C(=O)N1CCO[C@H](CN[C@H]2CCC(=O)NC2=O)C1 1051752584 MLRQHMIFCIDBKH-NEPJUHHUSA-N 323.393 -0.179 30 20 DBED C=CCN1CCN([C@H]2CCN(C(=O)c3cn(C)nn3)C2)CC1 1052027229 YWLVDMAKLWTQOO-ZDUSSCGKSA-N 304.398 -0.167 30 20 DBED C#CCN1CC2(C1)CN(C(=O)[C@H]1CCCC(=O)N1C)CCO2 1053520928 SGGUQMBCTUICFI-CYBMUJFWSA-N 305.378 -0.456 30 20 DBED C#CCCN1CC2(CC[C@H](CNC(=O)[C@H]3CN(C)CCO3)O2)C1 1053585910 KQEZYQXDVAJCAW-HUUCEWRRSA-N 321.421 -0.310 30 20 DBED C=C(C)CN1CC2(CC[C@H](CNC(=O)c3nnn(C)n3)O2)C1 1053647468 VXADOVHFCYAXFR-LLVKDONJSA-N 306.370 -0.251 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)[C@H]3CCC(=O)N3C)CO2)C1 1053903545 STIPWVASLYILIH-QWHCGFSZSA-N 305.378 -0.410 30 20 DBED CC(=O)N[C@H](C)C(=O)N1C[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2C1 1055144511 KDHHUNUNRGTJBF-JULQROHOSA-N 306.366 -0.413 30 20 DBED N#Cc1nccc(N2CCN(C(=O)[C@H]3CCC(=O)N3)CC2)n1 1055746110 KWTXMFFPODWDFD-SNVBAGLBSA-N 300.322 -0.725 30 20 DBED C#CCO[C@H](C)C(=O)N[C@]1(CO)CCCN(C(=O)C2CC2)C1 1055947468 QDFBCEMHKRKIEU-MLGOLLRUSA-N 308.378 -0.096 30 20 DBED CN(c1cncc(C#N)n1)[C@@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 1057011469 OBKQPDKVEVAUCJ-LLVKDONJSA-N 314.349 -0.349 30 20 DBED C=CCO[C@H](C)C(=O)NCCN(CCO)C(=O)[C@H](C)OCC 1057060728 NTYHXRZXWCIRFS-OLZOCXBDSA-N 316.398 -0.060 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)c1cn(C)cn1 1057344899 FOPHAERGRIJJKY-UHFFFAOYSA-N 306.366 -0.370 30 20 DBED C#CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)[C@@H](C)OCC 1057582821 AAYKTRBYXGIOMM-OLZOCXBDSA-N 314.382 -0.613 30 20 DBED C=C[C@H](C)[C@@H](C)C(=O)NCCN(CCO)C(=O)c1cnn[nH]1 1058060304 TWAQBXHKEWYLHJ-WDEREUQCSA-N 309.370 -0.186 30 20 DBED CC(C)n1cc(C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N)nn1 1058654731 GKMARFXUGKIDDK-NSHDSACASA-N 322.369 -0.431 30 20 DBED CCc1oncc1C(=O)NCCN(CCO)C(=O)[C@H](C)C#N 1058659111 STDDFLOIPMEFBO-SNVBAGLBSA-N 308.338 -0.053 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)Cc1cnc[nH]1 1058948209 OOLLZORFZYZYIB-UHFFFAOYSA-N 306.366 -0.307 30 20 DBED N#CCSCC(=O)N1CCOC[C@@H]1CNC(=O)c1cocn1 1061419006 FNZWSZQRJHEKEX-JTQLQIEISA-N 324.362 -0.111 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H]1COCCN1C(=O)COCC 1061582100 YRTXQSXGCHBPNF-STQMWFEESA-N 312.366 -0.595 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(NC(=O)c2nc[nH]n2)CCC1 1062867112 XUAGTGXGHKHDFL-CYBMUJFWSA-N 307.354 -0.100 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)[C@H]2CCNC(=O)C2)CCC1 1064302543 MUXTYJNYTZFRJP-MNOVXSKESA-N 306.366 -0.173 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@H]1CN(C(C)=O)CCO1 1064711945 UXRKBUHJMLIKNR-UONOGXRCSA-N 311.382 -0.179 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CN(C(=O)CCc2cnc[nH]2)CCO1 1065271748 WTDZWKNGJQQBFM-AAEUAGOBSA-N 319.365 -0.154 30 20 DBED N#Cc1nccc(N2CCOC[C@H]2CNC(=O)c2cnco2)n1 1066510129 QJUCLFBNCZRINE-SNVBAGLBSA-N 314.305 -0.029 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC2(CN(C(=O)CCCN(C)C)C2)C1 1068451072 GDHXELWSMDTDNF-ZDUSSCGKSA-N 322.409 -0.072 30 20 DBED N#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@]2(F)CCOC2)C1 1070006197 JGDCLNUKXZVRJN-NTZNESFSSA-N 308.317 -0.728 30 20 DBED C#CCN1CCOC[C@@H]1c1n[nH]c(CNC(=O)c2cnon2)n1 1070591965 WBHLNYZVJVXQSB-SNVBAGLBSA-N 317.309 -0.876 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CCCN(C(=O)CN2C(=O)CCC2=O)C1 1070716230 AIPKMFLBTOMIIT-WDEREUQCSA-N 320.349 -0.598 30 20 DBED Cc1[nH]nc(C(=O)N2C[C@H]3C[C@@H]4CN(CC#N)C[C@]3(C2)O4)c1O 1070790315 VRZJUSYIOIZSBG-UEKVPHQBSA-N 317.349 -0.137 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)c4cncnc4O)C[C@@]3(C1)O2 1070814912 OAJDKBWJLMPOFW-XHBSWPGZSA-N 314.345 -0.269 30 20 DBED C=C(C)CN1C[C@@H]2OC(=O)N([C@@H]3CCN(C(=O)C(N)=O)C3)[C@@H]2C1 1070917811 KXFUGQFWSUTOQT-UTUOFQBUSA-N 322.365 -0.846 30 20 DBED CNC(=O)NCCC(=O)N1C[C@H](C)[C@@H](NC(=O)C#CC(C)C)C1 1072022410 ZTXPOUNGNJXZEB-STQMWFEESA-N 322.409 -0.072 30 20 DBED C#CCN1C[C@@H](NC(=O)c2nccnc2C(N)=O)CC[C@H]1C 1072058008 FIYLJXCTYGZCTE-MNOVXSKESA-N 301.350 -0.209 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)c2cc(C(N)=O)c[nH]2)C1 1073836350 BNZRKPGKKNYXOF-LBPRGKRZSA-N 304.350 -0.433 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)c3ccc(=O)n(C)n3)C[C@@H]21 1074400637 UVNVWFMXKVNZGM-KBPBESRZSA-N 316.361 -0.671 30 20 DBED C=CC(C)(C)CC(=O)NCC1(O)CCN(C(=O)C(N)=O)CC1 1074701213 XLLQQVMEHZAYHD-UHFFFAOYSA-N 311.382 -0.456 30 20 DBED C[C@@H](CCNC(=O)c1c[nH]c(C#N)c1)NC(=O)CCNC(N)=O 1076217829 JZFUFJFDLNAWBE-VIFPVBQESA-N 320.353 -0.431 30 20 DBED C#CCOCCC(=O)NCC[C@H](C)NC(=O)c1cn(C)nn1 1076504255 SILRVASLOTWUPG-NSHDSACASA-N 307.354 -0.520 30 20 DBED CC(C)C#CC(=O)N[C@@H](C)CCNC(=O)C1CS(=O)(=O)C1 1076670997 GGLGPZSNRYYQRZ-NSHDSACASA-N 314.407 -0.299 30 20 DBED C[C@H](C(=O)N(C)C)N1C[C@@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 1076855582 CSRKEDOVDKPNHV-OASPWFOLSA-N 319.365 -0.862 30 20 DBED CC(C)CN1C[C@H](C(=O)N[C@@H]2CN(CC#N)C[C@H]2O)CC1=O 1077087614 NNQVPLFKYXWDFP-JHJVBQTASA-N 308.382 -0.824 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)c1cccnn1 1078010280 OJLLPPKZDIDVIB-NSHDSACASA-N 317.349 -0.759 30 20 DBED C=C[C@](C)(O)CC(=O)N(CC)C1CN(C(=O)CC(=O)NC)C1 1079684349 GBSQKPYVVKUJRD-HNNXBMFYSA-N 311.382 -0.491 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)c2ncn(C)n2)C1 1079712222 NBFUJUUSZLJUOY-NSHDSACASA-N 319.365 -0.474 30 20 DBED C#CCCN1C[C@@H](NC(=O)CN2CCN(C)C(=O)C2)[C@H](C)C1 1079990812 MNGXQVOQLGEOAX-ZIAGYGMSSA-N 306.410 -0.780 30 20 DBED CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)C[C@H]2CCNC2=O)C1 1080415787 DLDNGRBCYHKAHN-GHMZBOCLSA-N 306.366 -0.268 30 20 DBED Cc1c[nH]c(C(=O)N2CCC(CO)(NC(=O)[C@@H](C)C#N)CC2)n1 1080983274 JRFFKDINQLOVPI-JTQLQIEISA-N 319.365 -0.039 30 20 DBED O=C(Cn1cccn1)NC[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1081258698 ASJOIOQOEODYNQ-UONOGXRCSA-N 316.361 -0.768 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C[C@@H]1O 1081474871 VHXDEYHTDKREQR-NJURLYQPSA-N 318.373 -0.772 30 20 DBED C#CCCN1C[C@@H](NC(=O)c2ccc(=O)n(CC)n2)[C@H](OC)C1 1082253049 ZGJGFFKJGQMVNZ-ZIAGYGMSSA-N 318.377 -0.285 30 20 DBED CNC(=O)NCC(=O)NC[C@@H]1CCCCN1C(=O)[C@H](C)C#N 1082267139 IKOBSONHDOIKJN-MNOVXSKESA-N 309.370 -0.428 30 20 DBED CCn1ccc(CC(=O)N2CCO[C@@H]3CN(CC#N)C[C@@H]32)n1 1083087837 FPNHPRKDLLKZHA-UONOGXRCSA-N 303.366 -0.119 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCCN2C(=O)C2CC2)C1 1083839274 PJOZRJQHQBELCB-ILXRZTDVSA-N 319.405 -0.428 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](NC(=O)c2nccnc2C(N)=O)C1 1084038499 MIKXBVAKCSFVKK-MNOVXSKESA-N 319.365 -0.683 30 20 DBED CNC(=O)CC(=O)N[C@H]1CC[C@H](C)N(c2nccnc2C#N)C1 1089130007 SYSFZYIHYPOJIN-QWRGUYRKSA-N 316.365 -0.042 30 20 DBED Cn1cnc2cc(C(=O)N[C@@H]3CCN(CC#N)C[C@H]3O)cnc21 1090477354 VKEYRPPXUFQGCX-DGCLKSJQSA-N 314.349 -0.343 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CCN(CCCO)C[C@H]2O)cn1 1090739405 JODYQOBEJXMLAA-HUUCEWRRSA-N 303.362 -0.390 30 20 DBED C=CCN1CC[C@H](NC(=O)Cn2nc(C)ccc2=O)[C@@H](O)C1 1090749991 YRZXGEPBCKYJSL-STQMWFEESA-N 306.366 -0.711 30 20 DBED COC[C@@H](OC)C(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1C 1090820863 HITKYSZRFFBZOR-RAIGVLPGSA-N 319.365 -0.049 30 20 DBED C#CCN1CCC(C(=O)N[C@H]2CCN(CCF)C[C@@H]2O)CC1 1090831911 XHGSZNYPTSOVHK-GJZGRUSLSA-N 311.401 -0.148 30 20 DBED N#Cc1cncc(N2C[C@H](O)[C@H](NC(=O)COCC3CC3)C2)n1 1091081022 UCPRXXLTFNPYAA-OLZOCXBDSA-N 317.349 -0.559 30 20 DBED N#Cc1cncc(N[C@@H]2CCCC[C@H]2NC(=O)CNC(N)=O)n1 1091231973 CHSGVIUSIJCUQZ-GHMZBOCLSA-N 317.353 -0.144 30 20 DBED N#Cc1cncc(N[C@@H]2CC[C@H](CNC(=O)CNC(N)=O)C2)n1 1091534845 PQBHIGXQDBCABO-VHSXEESVSA-N 317.353 -0.287 30 20 DBED N#Cc1ccc(NCCNC(=O)c2cccc(C(N)=O)n2)nn1 1093687860 QDRMKBVEQBLKMX-UHFFFAOYSA-N 311.305 -0.316 30 20 DBED C[C@H]1CCN(C(=O)C(=O)NCCN=c2cc[nH]c(C#N)n2)C1 1093870160 OUWBKFJTAGXRKA-JTQLQIEISA-N 302.338 -0.833 30 20 DBED N#Cc1cncc(NCCNC(=O)CN2CCCNC2=O)n1 1094245034 SVGNWDKWEMJZHO-UHFFFAOYSA-N 303.326 -0.708 30 20 DBED N#Cc1c[nH]c(C(=O)NCCCNc2nccn3nnnc23)c1 1094363261 WMTHLLWQARSAGP-UHFFFAOYSA-N 311.309 -0.049 30 20 DBED C=CCN1CCN(C(=O)c2cnn(C)c2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094604869 HVHLXYHVBZIUSJ-QWHCGFSZSA-N 324.406 -0.471 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)C3CCOCC3)CC2=O)C1 1094693098 LPWZNTFOPGZVAG-CYBMUJFWSA-N 305.378 -0.553 30 20 DBED Cc1ccc(C#N)c(NCCCNC(=O)[C@@H]2CNC(=O)N2)n1 1094751658 PNWAXHUVKLWQDW-NSHDSACASA-N 302.338 -0.139 30 20 DBED COCC(=O)N[C@@H](C)C(=O)NCCCNc1nccnc1C#N 1094844156 FTJMFVRLZFWEKC-JTQLQIEISA-N 320.353 -0.582 30 20 DBED N#Cc1c[nH]ccc1=NCCCNC(=O)CN1CCOCC1=O 1094859756 DQYOOWGHLSHMFQ-UHFFFAOYSA-N 317.349 -0.848 30 20 DBED CN(C)C(=O)CC(=O)N1CC[C@H](N(C)c2cnc(C#N)cn2)C1 1095157222 RQBXJGXBCRZCHY-LBPRGKRZSA-N 316.365 -0.136 30 20 DBED CCN(CCCNC(=O)[C@H]1CNC(=O)N1)c1ccncc1C#N 1095959923 IEXYGWLYMIERHX-GFCCVEGCSA-N 316.365 -0.033 30 20 DBED COC[C@H](OC)C(=O)N[C@H]1CCN(c2cncc(C#N)n2)C1 1096482192 IONCRAPNTFDACT-JQWIXIFHSA-N 305.338 -0.295 30 20 DBED N#Cc1cnc(N[C@@H](CNC(=O)[C@H]2CCNC2=O)C2CC2)cn1 1096782370 BERLNUKUNFLYSU-RYUDHWBXSA-N 314.349 -0.209 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H]1C[C@H](Nc2nccn3nnnc23)C1 1097068840 JNSSLYZOVZDXJN-DCAQKATOSA-N 315.337 -0.383 30 20 DBED Cc1nc(CC(=O)NC[C@H](C)Nc2cncc(C#N)n2)n[nH]1 1097805497 FRTFYRPPRGSSCW-QMMMGPOBSA-N 300.326 -0.066 30 20 DBED C#CCCN1C[C@H](NC(=O)CC(N)=O)CC2(CCOCC2)C1 1099571359 GCOBUSAQGDYHEB-CYBMUJFWSA-N 307.394 -0.128 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)CN(C)C(=O)C2CC2)[C@H](O)C1 1099860798 IFXBBBZVLXOEIU-UONOGXRCSA-N 309.410 -0.018 30 20 DBED CC(=O)N[C@H](C)C(=O)NCCN(C)c1nc(C)cc(C#N)n1 1099909875 FZSLQNDMWSSWDF-SNVBAGLBSA-N 304.354 -0.266 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)c2cnn(C)n2)[C@H](O)C1 1100028715 BWHWOEKFQKMHRU-DGCLKSJQSA-N 309.370 -0.817 30 20 DBED C#CCCN1CC[C@H](NC(=O)CCc2cnn(C)c2)[C@@H](O)C1 1100124457 IHQIZXTXJSTTLH-GJZGRUSLSA-N 304.394 -0.073 30 20 DBED C[C@@H](C#N)C(=O)NCC1CC(NCCN2C(=O)CNC2=O)C1 1100198258 UREQGDNWGOXDPN-WHXUTIOJSA-N 307.354 -0.818 30 20 DBED CCN(CCNC(=O)CN1CCOCC1)c1cnc(C#N)cn1 1100513448 VYJBJLXKHWKUSI-UHFFFAOYSA-N 318.381 -0.377 30 20 DBED CC#CCNC1CC(CNC(=O)c2cnc(O)n(C)c2=O)C1 1100559046 RWVUKLFYSZYOBE-UHFFFAOYSA-N 304.350 -0.393 30 20 DBED C=CCNC(=O)CN1C[C@@H]2CN(C(=O)CC(=O)NC)C[C@]2(C)C1 1101211037 PDUYAHSDQWGXPO-WBMJQRKESA-N 322.409 -0.795 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)CC1OCCCO1 1101586861 MVKQMLOIPFSPHF-UHFFFAOYSA-N 305.338 -0.206 30 20 DBED CC[C@H](CNC(=O)[C@H]1CCC(=O)NC1)N=c1cc[nH]c(C#N)n1 1103368150 UGSIPQPDHODZIZ-WDEREUQCSA-N 316.365 -0.397 30 20 DBED C[C@H](CNC(=O)[C@@H]1CCC(=O)N1)CNc1cnc(C#N)cn1 1104034736 OEYAEVJCJBKGNI-ONGXEEELSA-N 302.338 -0.209 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)CC(=O)N(C)C 1104229289 HTJKZPYFWNPIGZ-JTQLQIEISA-N 304.354 -0.587 30 20 DBED C[C@@H](CNc1cncc(C#N)n1)N(C)C(=O)Cn1cncn1 1104569762 DWGIPNWCFGPKPL-JTQLQIEISA-N 300.326 -0.101 30 20 DBED CC(=O)N[C@@H](C)C(=O)N(C)CCN(C)c1nccnc1C#N 1105319590 RTEPBAAPNHXWDD-JTQLQIEISA-N 304.354 -0.233 30 20 DBED C#CCNCc1cn(C2CN(C(=O)C[C@H]3CCN(C)C3)C2)nn1 1105361024 NQXXBRIKLRZQGN-CYBMUJFWSA-N 316.409 -0.274 30 20 DBED CCNC(=O)CCC(=O)NC[C@H](O)CN=c1cc[nH]cc1C#N 1105747111 WKUXTFHTTHSDMX-GFCCVEGCSA-N 319.365 -0.820 30 20 DBED COC[C@H](C)C(=O)NC[C@H](O)CNc1nc(C)cc(C#N)n1 1105747180 XROOHQFCSZBSHY-CABZTGNLSA-N 307.354 -0.172 30 20 DBED Cn1cc(CC(=O)NC[C@@H](O)CNc2ncccc2C#N)cn1 1105782832 PZHMEJXPMTWPGD-CYBMUJFWSA-N 314.349 -0.182 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@H](O)CNc1cnc(C#N)cn1 1105805920 MDIAQGHXZUWLFU-RISCZKNCSA-N 305.338 -0.436 30 20 DBED COCC1(C(=O)NC[C@H](O)CN=c2cc[nH]cc2C#N)CC1 1106023446 WMXGCZNGTWGFKB-GFCCVEGCSA-N 304.350 -0.309 30 20 DBED Cn1c(C(=O)NC[C@H](O)CN=c2cc[nH]cc2C#N)cnc1O 1106052190 UWWWTTCFUVZBIP-SNVBAGLBSA-N 316.321 -0.983 30 20 DBED CN1CCCC[C@@H]1C(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1 1106165165 GARMCLIFWYCHEG-VXGBXAGGSA-N 318.381 -0.857 30 20 DBED Cc1cc(=NCC[C@H](C)NC(=O)Cn2cnnn2)c(C#N)c[nH]1 1106195471 XZEKGTCSVWKIRE-JTQLQIEISA-N 314.353 -0.323 30 20 DBED C=CCN1CC(n2cc(CNC(=O)C[C@H]3CCC(=O)N3)nn2)C1 1107218603 HFJSVOWRNZURFC-LLVKDONJSA-N 318.381 -0.394 30 20 DBED C#CCCN1CC(N2C[C@H](NC(=O)C[C@@H](C)OC)CC2=O)C1 1108518284 VZVBHFXTACJBQK-CHWSQXEVSA-N 307.394 -0.164 30 20 DBED CN(CCCN=c1cc[nH]c(C#N)n1)C(=O)[C@H]1CCC(=O)NC1 1109664061 GOMPWNBODHQPPE-NSHDSACASA-N 316.365 -0.443 30 20 DBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1nc[nH]n1 1109861589 TVOWXXVMTCDVOF-VWYCJHECSA-N 304.354 -0.558 30 20 DBED CNC(=O)CC(=O)N1CC[C@H](N=c2cc[nH]c(C#N)n2)C[C@@H]1C 1110512360 IAACOZLQURNNRQ-QWRGUYRKSA-N 316.365 -0.302 30 20 DBED C=CCOCC(=O)N(C)[C@H]1CN(c2ccc(C)nn2)C[C@@H]1O 1111175400 CQCYXHNDDVDMCA-STQMWFEESA-N 306.366 -0.004 30 20 DBED Cc1nsc(N2CCC[C@](CO)(NC(=O)C(N)=O)C2)c1C#N 1111364604 ZNYVLDVKWPNWMQ-ZDUSSCGKSA-N 323.378 -0.744 30 20 DBED CN(C)CCC(=O)N1CCO[C@H](CNc2cnc(C#N)cn2)C1 1111962396 WWQBEFOJLYMJON-CYBMUJFWSA-N 318.381 -0.061 30 20 DBED CN(CCCN(C)c1ccnc(C#N)n1)C(=O)[C@H]1CCNC1=O 1112151754 VKQGQWPWRYSKGQ-NSHDSACASA-N 316.365 -0.231 30 20 DBED Cc1cc(N2C[C@H](O)[C@H](CNC(=O)CSCC#N)C2)ncn1 1112725216 LAWUKFKAVXPFTO-NEPJUHHUSA-N 321.406 -0.045 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)c3cccn3C)[C@@H]2C1 1113860949 RTZXYPKVLJVNSI-VXGBXAGGSA-N 302.378 -0.013 30 20 DBED C=CCOCC(=O)NC1[C@@H]2CN(Cc3nc(N(C)C)no3)C[C@@H]12 1114054035 KCKDNDWBYQYVJG-GHMZBOCLSA-N 321.381 -0.115 30 20 DBED C=CCOCC(=O)NC1[C@H]2CN(CC(=O)NC(=O)NCC)C[C@H]12 1114055520 YDFDBXZZBYFDRS-QWRGUYRKSA-N 324.381 -0.919 30 20 DBED CC(C)NC(=O)NCCN1C[C@H]2C(NC(=O)[C@@H](C)C#N)[C@@H]2C1 1114067859 XSLWIZGRTHBOPP-QJPTWQEYSA-N 307.398 -0.100 30 20 DBED O=C(C#CC1CC1)NC1[C@H]2CN(CC(=O)N3CCOCC3)C[C@H]12 1114252824 CQSWLCWUFIADMA-KBPBESRZSA-N 317.389 -0.695 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)c3cncnc3O)[C@@H]2C1 1114445520 SDZFSXQRANWSJD-GHMZBOCLSA-N 317.349 -0.856 30 20 DBED C=CCN1C[C@H]2C(NC(=O)CN(C)CC(=O)NC(C)C)[C@@H]2C1 1114521408 PGTIXDZZSSNVEV-CHWSQXEVSA-N 308.426 -0.325 30 20 DBED C=CCCN1C[C@H]2C(NC(=O)CCCN3C(=O)CNC3=O)[C@@H]2C1 1115219260 UNDWLLXRGKKCSY-VXGBXAGGSA-N 320.393 -0.059 30 20 DBED COCCCS(=O)(=O)NCC(=O)NC1(C#N)CCOCC1 1116317341 LKZHOQLDZXHTDG-UHFFFAOYSA-N 319.383 -0.869 30 20 DBED C[C@H](O)C[C@@H](C)NC(=O)NCCN/C(O)=C1\N=CC=CC1=O 1116543589 YMALOLFKUIQTQB-WWRYOJEZSA-N 310.354 -0.029 30 20 DBED CCOC(=O)c1cnn(C)c1NC(=O)C(=O)N[C@@H](C)CC#N 1116739605 QKSYAMSKAFOPRS-QMMMGPOBSA-N 307.310 -0.046 30 20 DBED COCCNC(=O)CNC(=O)C(=O)Nc1sccc1C#N 1117712438 FKLVAEGKCKDATN-UHFFFAOYSA-N 310.335 -0.563 30 20 DBED C=CC[C@@H]1CCCN(C(=O)C(=O)NCCS(=O)(=O)NC)C1 1118615860 XDFLMRZGPYRLGU-LLVKDONJSA-N 317.411 -0.534 30 20 DBED Cc1ocnc1C(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1 1121165878 RYVQTRSMZSRSKP-VIFPVBQESA-N 302.294 -0.731 30 20 DBED CCCOCC(=O)NC[C@H](CO)N=c1cc(C)[nH]cc1C#N 1121279124 OIQAXJJDIYETKK-CYBMUJFWSA-N 306.366 -0.001 30 20 DBED CN1CC[C@@H](CC(=O)NC[C@H](CO)Nc2cncc(C#N)n2)C1 1121806363 KIODAHNWUPZTQE-WCQYABFASA-N 318.381 -0.421 30 20 DBED Cc1cc(C#N)nc(N[C@@H](CO)CNC(=O)c2c[nH]nc2C)n1 1122292057 DGLFZUDTPQQPJD-LLVKDONJSA-N 315.337 -0.109 30 20 DBED C[C@@H]1[C@H](C(=O)NC[C@H](CO)N=c2cc[nH]cc2C#N)CCN1C 1122753581 ZMNQXVMTZLVKBA-MRVWCRGKSA-N 317.393 -0.396 30 20 DBED N#Cc1cccnc1N[C@H](CO)CNC(=O)[C@@]12COC[C@@H]1C2 1122760164 HGLOAMOMRNHRNJ-HUBLWGQQSA-N 302.334 -0.121 30 20 DBED CCN(CC)CC(=O)N(C)C[C@H](O)CNc1cncc(C#N)n1 1124365221 WYZMBHKAZXAYKN-CYBMUJFWSA-N 320.397 -0.079 30 20 DBED CSCC(=O)N(C)C[C@@H](O)CN(C)c1ccc(C#N)nn1 1124925507 ODOFQJOVBNKRHK-NSHDSACASA-N 309.395 -0.033 30 20 DBED CCCNC(=O)NC(=O)CNCCNC(=O)c1c[nH]c(C#N)c1 1125987960 JJUWELOOODLLSU-UHFFFAOYSA-N 320.353 -0.558 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@H]1CCCN(C(=O)CC)C1 1128003904 CUILTBCJFIWSAW-ZDUSSCGKSA-N 322.409 -0.910 30 20 DBED N#CCN1CCn2ncc(CNC(=O)CO[C@@H]3CCOC3)c2C1 1128351348 WIHKQLGJWXQPAK-CYBMUJFWSA-N 319.365 -0.356 30 20 DBED CC#CCN[C@@H]1CN(C(=O)c2cc(C)[nH]n2)C[C@@H]1n1ccnn1 1129625024 YRFFQQSKXGAKHU-KGLIPLIRSA-N 313.365 -0.012 30 20 DBED C#CCCCCC(=O)N1C[C@H](n2ccnn2)[C@H](NCC(N)=O)C1 1129756879 LLSQWZHAUGKTAR-OLZOCXBDSA-N 318.381 -0.702 30 20 DBED CC#CCN[C@@H]1CN(C(=O)CCN(C)C)C[C@@H]1n1ccnn1 1129994390 LDQHGEUHQICRFM-KGLIPLIRSA-N 304.398 -0.405 30 20 DBED C#CCNC(=O)CNCCNC(=O)C(C)(C)c1cccnc1 1130632171 NBJKAJWXJDPNNK-UHFFFAOYSA-N 302.378 -0.186 30 20 DBED Cc1nc(C)c(C(=O)NCCNCC(=O)NCC#N)nc1C 1131116934 XRPUGGLQLBLUNN-UHFFFAOYSA-N 304.354 -0.639 30 20 DBED N#CCN1C[C@H]2C[C@@H]3CN(C(=O)CNC(=O)C4CC4)C[C@@]3(C1)O2 1131184637 SPLIENPOAWYZFO-XJKCOSOUSA-N 318.377 -0.662 30 20 DBED N#CCN1C[C@H]2C[C@@H]3CN(C(=O)CCCC(N)=O)C[C@@]3(C1)O2 1131297431 CCENEJYASWRGHE-LALPHHSUSA-N 306.366 -0.533 30 20 DBED C=CCCCN1CCNC(=O)CCN(C(=O)CC(N)=O)CC1 1131339907 VUXPQYUUXRUAGI-UHFFFAOYSA-N 310.398 -0.522 30 20 DBED Cc1nc[nH]c1C(=O)N[C@@H]1CC[C@@H](C)N(CC(=O)NCC#N)C1 1132547260 ZCEHYRUJQQVUKD-ZYHUDNBSSA-N 318.381 -0.059 30 20 DBED CN(C)c1ccc(C(=O)NCCNCC(=O)NCC#N)cc1 1148966432 KXTODGLOMTTZPG-UHFFFAOYSA-N 303.366 -0.288 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H]1CN(CC#CCOC)CCCO1 1149707453 KIBTYOBDJGCPCU-HOTGVXAUSA-N 322.405 -0.118 30 20 DBED C=CCCCNCCNC(=O)CN1CCS(=O)(=O)CC1 1151015134 INEMCENCQCQDHQ-UHFFFAOYSA-N 303.428 -0.611 30 20 DBED C#CCOCCC(=O)NC[C@@H](C)N(CC)Cc1nnnn1C 1153302584 QQQIYMGKPYVKMS-GFCCVEGCSA-N 308.386 -0.423 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)[C@H](C1CC1)N(C)C 1159932979 XGLADDZBNSDWHK-JSGCOSHPSA-N 308.426 -0.440 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)[C@@H]1CCCCN1C 1161051957 DNKYFWPVRQTPQC-KGLIPLIRSA-N 308.426 -0.296 30 20 DBED CCn1cc(C(=O)NCCCNCC(=O)NCC#N)c(C)n1 1167436033 ZQAGYICRTOPPQT-UHFFFAOYSA-N 306.370 -0.439 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)CCCn1cccn1 1176406144 VMGSWAQZPNRKHT-CQSZACIVSA-N 319.409 -0.103 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2c(C)cnn2C)[C@H]1C 1179342262 XTINEPCTTDQVIG-STQMWFEESA-N 317.393 -0.329 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)Cc2cnc[nH]2)[C@H]1C 1179608175 DJCFZIMUYNWOCL-AAEUAGOBSA-N 303.366 -0.719 30 20 DBED C#CCNCCCCCCNC(=O)C1CC2(C1)NC(=O)NC2=O 1179801552 HMPRBRJLWDGQFN-UHFFFAOYSA-N 320.393 -0.126 30 20 DBED C[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@@]1(C)CNCC(=O)NCC#N 1180914872 WVXITSRFBMVJQJ-LALPHHSUSA-N 305.382 -0.140 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)Cc2n[nH]c(C)n2)C1 1182442763 RQTZHPUBWDMSRF-ZYHUDNBSSA-N 320.397 -0.463 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](NCC(=O)N2CCCC2)C1 1182489244 IUNGQFMXXRSUDO-CQSZACIVSA-N 307.394 -0.161 30 20 DBED C#CCNC[C@H]1CCN(C(=O)CN(C)C(=O)COC)C[C@H]1C 1184535422 TYWDKSJGJXJODV-ZIAGYGMSSA-N 309.410 -0.201 30 20 DBED C[C@@H]1CN(C(=O)CN2CCC(=O)NC2=O)CC[C@@H]1CNCC#N 1185446338 LUQVIRSQVLVXAK-VXGBXAGGSA-N 321.381 -0.474 30 20 DBED C=CCNC[C@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C[C@@H]1C 1185752450 SFXNPSCILLJHIH-NWDGAFQWSA-N 320.397 -0.363 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)C(C)(C)NC(C)=O)C1 1186405681 XIMPZSKXHGPSJL-DGCLKSJQSA-N 324.425 -0.218 30 20 DBED C=CCN1C[C@@H]2CCN(C(=O)[C@@H](C)NS(C)(=O)=O)[C@@H]2C1 1189237825 MLEJSSZYGPUAGO-GRYCIOLGSA-N 301.412 -0.357 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)[C@H](C)n2cncn2)C1 1189695522 JUFYJJPOXCUNNC-QWHCGFSZSA-N 318.381 -0.879 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](N(C)CC(=O)NC(C)C)C1 1189759940 FOBQLAPUOFGBLX-ZDUSSCGKSA-N 322.409 -0.817 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)c2ccccc2O)C1 1191054396 UKGRZPKDGZWHPP-UKRRQHHQSA-N 304.346 -0.183 30 20 DBED COCC#CCN(C)[C@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1 1191997296 HMXRVVROUVTBEZ-LBPRGKRZSA-N 304.350 -0.434 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(Cc2cncn2C)C[C@H]1O 1192523874 BCKMSYKNGLEWMD-UMVBOHGHSA-N 308.382 -0.592 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(Cc2coc(C)n2)C[C@H]1O 1192530877 QOBNCFVJVQGBDZ-NFAWXSAZSA-N 309.366 -0.029 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2ccc(F)cn2)C[C@H]1O 1192892488 YNDLHUKTITXBKM-NILFDRSVSA-N 321.352 -0.080 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)CCCNC(=O)C2CC2)C1 1193499025 FMUISWKVBOUJBG-ZIAGYGMSSA-N 307.394 -0.523 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)Cn2ccnc2)C1 1194448643 JFMLAMWVSXDTFY-CYBMUJFWSA-N 303.366 -0.835 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)Cn2nc(C)cc2C)C1 1194527752 ULTOSVOHUHTSEG-HUUCEWRRSA-N 320.393 -0.689 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCCN(C(=O)Cn2cccn2)CC1 1194831649 UWFZURPCGJFQFW-CQSZACIVSA-N 317.393 -0.445 30 20 DBED CS(=O)(=O)NCCNC1CCN(C(=O)C#CC2CC2)CC1 1200435529 ZSZVOFMPUKVVKK-UHFFFAOYSA-N 313.423 -0.470 30 20 DBED CCNC(=O)CNC[C@H]1CN(C(=O)C#CC(C)C)CCCO1 1200461231 GGLNFKWSWKQDAD-AWEZNQCLSA-N 309.410 -0.011 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)[C@@]23COC[C@@H]2C3)CC1 1200651588 BYRWVRBHUJYIQI-LRDDRELGSA-N 305.378 -0.647 30 20 DBED C#CCNC[C@H]1CN(C(=O)[C@@H]2COCCN2CC)CCCO1 1200859185 LEMNGHIZMCVAPE-GJZGRUSLSA-N 309.410 -0.453 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)[C@H]2CC23CC3)CCCO1 1201484661 XINYMSDOHQPUFV-ZIAGYGMSSA-N 319.405 -0.257 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(CCOCCO)C[C@H]1C 1206916032 SSFKMOKPRDDDPF-NFAWXSAZSA-N 300.399 -0.241 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)C[C@@H]2CCCO2)C1 1207450958 KIJOPUJBCNANQW-KBPBESRZSA-N 307.394 -0.115 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC[C@H](NCCS(C)(=O)=O)C1 1208018881 VVTWIVAYRBDIPC-STQMWFEESA-N 316.423 -0.350 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)C(C)(C)F)[C@H](OC)C1 1211761804 MZWNPTRGESJNNM-IJLUTSLNSA-N 313.373 -0.312 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)CCC(C)C)[C@H](OC)C1 1211840971 FRQIRVZPVGCOOL-ZIAGYGMSSA-N 309.410 -0.013 30 20 DBED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)[C@@H](C)SC 1211909143 PEZWFPODTUEOJD-GMTAPVOTSA-N 314.411 -0.807 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)COCCC)C[C@H]1C 1214280427 SXTCHNHDHGTVRU-MGPQQGTHSA-N 309.410 -0.013 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)c2nccnc2N)C[C@H]1C 1214366897 RVKWNVRGBGENAC-VXGBXAGGSA-N 303.366 -0.241 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)[C@H]2C[C@@H](C)CC(=O)N2)C[C@H]1C 1214657389 JYRPHXHOAGLYGV-KBUPBQIOSA-N 321.421 -0.013 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)c2ccoc2C)C1 1219158859 SHFWVZZQPBUEDO-HONMWMINSA-N 319.361 -0.499 30 20 DBED Cc1nc([C@@H](C)N2C[C@H](O)[C@H](NC(=O)CSCC#N)C2)n[nH]1 1219218120 KFNQZBDXHVRKTH-IEBDPFPHSA-N 324.410 -0.408 30 20 DBED C=CCCC(=O)N[C@@H]1CN(Cc2ncnn2CCF)C[C@@H]1O 1219332908 LGWBJFONZUBWJB-NEPJUHHUSA-N 311.361 -0.125 30 20 DBED C=C[C@](C)(CC)C(=O)N[C@@H]1CN(Cc2nnnn2C)C[C@@H]1O 1220292269 SJLJGFYBONIWII-UHIISALHSA-N 308.386 -0.526 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC(NC(=O)[C@@H]2COCCO2)CC1 1226127804 HZNFZQFPQUTSCC-JSGCOSHPSA-N 323.393 -0.880 30 20 DBED CN(C[C@@H]1CCN1CC(=O)NCC#N)C(=O)CCn1cccn1 1230806502 NBCSMLMGPCNMRS-ZDUSSCGKSA-N 318.381 -0.554 30 20 DBED CCNC(=O)NC(=O)CN1CC[C@@H]1CN(C)C(=O)[C@H](C)C#N 1231246948 JEUDHAVCIWVJIA-GHMZBOCLSA-N 309.370 -0.476 30 20 DBED N#CCCCNC(=O)C(=O)NC[C@@H]1COC2(CCOCC2)O1 1323143225 XVXQFEKZOMJGMX-LLVKDONJSA-N 311.338 -0.555 30 20 DBED CN(C)C(=O)[C@H]1CCN(C(=O)C(=O)Nc2cccc(C#N)n2)C1 1326821848 UYVABIVIRDVFHJ-JTQLQIEISA-N 315.333 -0.172 30 20 DBED C=CC[C@@H](NC(=O)[C@H](C)NS(=O)(=O)CC)C(=O)OCC 1328350777 UACCMPSCRPPFSS-VHSXEESVSA-N 306.384 -0.062 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N[C@@H]1CCN(C(=O)NCC)C1 1329640262 VKMIMHXIKMLPFN-CYBMUJFWSA-N 318.377 -0.609 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N2CCC(CO)CC2)CCN1C1CC1 1329774232 KZYFCWNBUUXQQB-CQSZACIVSA-N 320.393 -0.584 30 20 DBED CC#CC[C@@H](CO)NC(=O)C1(S(C)(=O)=O)CCOCC1 1332492604 DWZAXYYUBPEIKN-NSHDSACASA-N 303.380 -0.529 30 20 DBED C[C@@H]1COC[C@@H]1NC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1333740566 KQENLUOZFJLLIX-RTXFEEFZSA-N 306.366 -0.664 30 20 DBED C[C@H](Cc1cccnc1)NC(=O)C(=O)N1CCO[C@@H](C#N)C1 1333889649 REXPAIWRVQNDKK-YPMHNXCESA-N 302.334 -0.120 30 20 DBED C#CCNC(=O)C1CCN(c2nnnn2[C@H]2C[C@H](OC)C2)CC1 1335864624 PHHXSLMQLWBBTN-JOCQHMNTSA-N 318.381 -0.011 30 20 DBED COCCCNC(=O)[C@@H](C#N)C(=O)c1cnc(C(=O)OC)cn1 1342585660 YMAHTOIMDYGNIF-VIFPVBQESA-N 320.305 -0.262 30 20 DBED CS(=O)(=O)N1CCC(C(=O)[C@H](C#N)C(=O)NC2CC2)CC1 1343983850 YPHJNDPZANCFEX-NSHDSACASA-N 313.379 -0.355 30 20 DBED COC[C@H](CNC(=O)C(=O)NCc1cccc(C#N)c1)OC 1345006567 UNVIKVQEVGQAAK-ZDUSSCGKSA-N 305.334 -0.048 30 20 DBED C#CCOCCN(C)C(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1 1347683290 QEMQRUQODSDKER-GFCCVEGCSA-N 304.350 -0.119 30 20 DBED C=CCN1CCC(NC(=O)N2CCC(O)(C(N)=O)CC2)CC1 1350876166 JSADRCGWGGHHAG-UHFFFAOYSA-N 310.398 -0.341 30 20 DBED C[C@@H](Cn1ccnc1)NC(=O)CCn1cc(C#N)c(O)nc1=O 1361917333 FWVLLPLLZRUVPZ-JTQLQIEISA-N 316.321 -0.388 30 20 DBED CCOC(=O)N1CC[C@H](Nc2[nH]c(=O)n(C)c(=O)c2C#N)C1 1363161491 VSCNKVXQPMGWHM-QMMMGPOBSA-N 307.310 -0.412 30 20 DBED Cn1c(=O)[nH]c(NCC(C)(C)N2CCOCC2)c(C#N)c1=O 1364130133 DFYFTABJVJTUCV-UHFFFAOYSA-N 307.354 -0.532 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNCc1nc(C(F)F)no1 1367584575 RMHCPLVRXWHSSG-NKWVEPMBSA-N 303.269 -0.266 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CCN(C)CC(=O)NC(N)=O)CC1 1374400979 LTWBFYHGXRWQJJ-NSHDSACASA-N 323.397 -0.099 30 20 DBED C[C@H](C#N)C(=O)NC1CN(C(=O)[C@@H]2CCc3nncn3C2)C1 1374750324 MZACJCMGRXMKRC-NXEZZACHSA-N 302.338 -0.673 30 20 DBED CCOCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 1383996892 IGZXLWIBEJZEFY-VXGBXAGGSA-N 306.322 -0.776 30 20 DBED CCN(C(=O)[C@@H](C)C#N)[C@H](C)CNC(=O)CN1CCOCC1=O 1384616435 WJKSIMZCPLXVRB-NWDGAFQWSA-N 324.381 -0.642 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)[C@H](NC(N)=O)C(C)(C)C)C1 1385940359 HAPXSCVKUADRDR-DBIOUOCHSA-N 323.397 -0.008 30 20 DBED CC[C@H](CNC(=O)c1ccc(C(N)=O)cn1)NC(=O)[C@@H](C)C#N 1388111410 JIWACCSNQVINQN-GXSJLCMTSA-N 317.349 -0.035 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)c2ccn(C)c2)C1 1390421531 IKJBNYDVTAMSJE-IAQYHMDHSA-N 304.350 -0.122 30 20 DBED C[C@H](CNC(=O)[C@H]1COCCO1)NC(=O)c1cc(C#N)c[nH]1 1392277807 UPFHLAYOBDQLSP-BXKDBHETSA-N 306.322 -0.464 30 20 DBED CCN(CCC#N)C(=O)CN[C@@H](C)CNC(=O)c1cncnc1 1402861014 AHXUQOHJAMHXSC-LBPRGKRZSA-N 318.381 -0.053 30 20 DBED COC(=O)NCC(=O)N1CC2(CCCN(C(=O)[C@H](C)C#N)C2)C1 1404783277 VQUKBEHGNGRTDF-LLVKDONJSA-N 322.365 -0.047 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@](C)(NC(=O)CCn2cncn2)C1 1410980657 PSMNRNUDUZRLJE-BXUZGUMPSA-N 304.354 -0.065 30 20 DBED C[C@@H](C#N)C(=O)N(C)C1CCN(C(=O)CCn2cnnn2)CC1 1424830736 WYIXHKCKSXPUOZ-NSHDSACASA-N 319.369 -0.328 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@@H](CNC(=O)c2ccc(=O)n(C)n2)C1 1426908261 TXMPPOVKFIRJSP-MXWKQRLJSA-N 317.349 -0.435 30 20 DBED CC[C@H](CNC(=O)CCn1ncn(C)c1=O)NC(=O)[C@@H](C)C#N 1430662680 WMYZJWXQGRMRJK-WDEREUQCSA-N 322.369 -0.857 30 20 DBED CC(C)C[C@@H](CNC(=O)[C@@H](C)C#N)NC(=O)CCn1cnnn1 1431114108 KBKHNOHWWVPGMI-RYUDHWBXSA-N 321.385 -0.130 30 20 DBED C[C@H](CNC(=O)CCS(C)(=O)=O)CNC(=O)[C@H](C)C#N 1451597961 IZWFRGWUCFDIBG-NXEZZACHSA-N 303.384 -0.551 30 20 DBED C[C@H]1C[C@@H](O)CN(C(=O)CCn2cc(C#N)c(O)nc2=O)C1 1469058837 XULXJCDOXZVWNO-GXSJLCMTSA-N 306.322 -0.560 30 20 DBED CCCNC(=O)NC(=O)CN(CC)CCNC(=O)[C@H](C)C#N 1480967665 KKLLYEURCPHHPV-LLVKDONJSA-N 311.386 -0.180 30 20 DBED Cc1cc(C(=O)N(C)C[C@H](O)CNC(=O)[C@H](C)C#N)ncn1 1488348298 NXOHXWRZTIMFOS-MWLCHTKSSA-N 305.338 -0.506 30 20 DBED C[C@H](NC(N)=O)C(=O)N1CCC(C)(CNC(=O)[C@H](C)C#N)CC1 1506673863 AIRGYFBPLHVDEO-MNOVXSKESA-N 323.397 -0.052 30 20 DBED C[C@@H](C#N)C(=O)N1CC([C@H](C)NC(=O)CCc2cnn[nH]2)C1 1509513708 KUCKDQLKGSENTQ-UWVGGRQHSA-N 304.354 -0.140 30 20 DBED COCC[C@@H](N)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 1573975443 LIAWEKNIVCRURQ-CYBMUJFWSA-N 320.397 -0.387 30 20 DBED C[C@H](CN=c1cc[nH]c(-c2nn[nH]n2)n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c2cncc(C(=O)O)c2)CC1 1601074826 SBBBWUCMBLXQLK-UHFFFAOYSA-N 310.335 -0.390 30 20 DBED O=C(O)[C@@H]1C[C@H]1C(=O)NCCN(CCO)C(=O)C#CC1CC1 1601785423 XXQWPLSMMPTOBM-VXGBXAGGSA-N 308.334 -0.942 30 20 DBED C#CCOCCNC(=O)N1CCC[C@H](n2cc(C(=O)O)nn2)C1 1602727638 CEFYXFZGJZYDBR-NSHDSACASA-N 321.337 -0.027 30 20 DBED C=CCOC[C@@H](NC(=O)c1ccc2c(c1)B(O)OC2)C(=O)O 1602912978 FPPDXNPQXWDTMT-GFCCVEGCSA-N 305.095 -0.710 30 20 DBED Cn1nnc2cc(S(=O)(=O)N(CC#N)CC(=O)O)ccc21 1608167804 JJMCBLURSVNDEJ-UHFFFAOYSA-N 309.307 -0.433 30 20 DBED N#C[C@H]1CSCCN1C(=O)CN1CCC[C@H](C(=O)O)C1=O 1608178877 CTNRMDRJCFSCIO-UWVGGRQHSA-N 311.363 -0.223 30 20 DBED C[C@@H](OC(=O)[C@H](C#N)Cc1ccc(-c2nn[nH]n2)cc1)C(N)=O 1609130885 YLAHFQDBNSWWSX-KCJUWKMLSA-N 314.305 -0.034 30 20 DBED N#C[C@H]1COCCN1C(=O)c1cc(O)cc(-c2nn[nH]n2)c1 1609494569 HKFHZFODWORENY-JTQLQIEISA-N 300.278 -0.063 30 20 DBED CC(=O)N[C@H]1CCCN(C(=O)CN2CC[C@@](O)(CC#N)C2)C1 1649846917 KBYJYRXLFIVVDN-ZFWWWQNUSA-N 308.382 -0.536 30 20 DBED N#Cc1ccc(CNC(=O)CNC2(C(N)=O)CCOCC2)cc1 1649883500 NBUJAAOXSYCHBO-UHFFFAOYSA-N 316.361 -0.201 30 20 DBED C#CCNC(=O)CN1CCC[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 1752315589 RRIPUHHJPCVBQQ-ZDUSSCGKSA-N 313.361 -0.170 30 20 DBED COCC#CCN[C@H](C)CNC(=O)c1ccnc2[nH]nnc12 1752887440 WSPLPLHHVUAKAN-SNVBAGLBSA-N 302.338 -0.289 30 20 DBED N#CCNC(=O)CNC[C@H]1CCN(C(=O)[C@H]2CC2(F)F)C1 1752937093 ZLBHEICUDOFQHQ-NXEZZACHSA-N 300.309 -0.281 30 20 DBED C=CCNC(=O)CN1CC(NC(=O)Cc2ncccc2OC)C1 1753385076 IASFUEOVKFSAHP-UHFFFAOYSA-N 318.377 -0.265 30 20 DBED CCc1ocnc1C(=O)N(C)CCN(C)CC(=O)NCC#N 1753850108 PMZUEFCGOPWVFM-UHFFFAOYSA-N 307.354 -0.119 30 20 DBED N#CCNC(=O)CNC[C@@H]1CCC[C@@H]1NC(=O)C1CCOCC1 1753878857 XKRKCWCMFULVMX-KBPBESRZSA-N 322.409 -0.073 30 20 DBED C#CCNC(=O)[C@H](C)NCCCN(C)C(=O)[C@H]1CCN(C)C1=O 1754390399 RBBXELMMDVECMM-QWHCGFSZSA-N 322.409 -0.959 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CCN1CCN(C)S(C)(=O)=O 1754484361 ZTRJCPNEMIDAIM-CYBMUJFWSA-N 315.439 -0.272 30 20 DBED C=CCNC(=O)CN1CC[C@H]1CNC(=O)c1cccc(=O)n1C 1754494046 KCTGQHRHCVFCRK-LBPRGKRZSA-N 318.377 -0.508 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC[C@@](C)(NC(=O)c2cn(C)nn2)C1 1754672988 RYARGOXZEAMTNM-IAQYHMDHSA-N 320.397 -0.300 30 20 DBED C[C@@]1(CNC(=O)C[C@@H]2CC(=O)NC2=O)CCCN(CC#N)C1 1754735098 UVULPZCYDSJUBI-ABAIWWIYSA-N 306.366 -0.219 30 20 DBED C#CCN1CC[C@](O)(CNC(=O)c2ccc3ncn(C)c3n2)C1 1754757639 OOAQJJKSFPKKEF-INIZCTEOSA-N 313.361 -0.232 30 20 DBED C=CCNC(=O)CN1CC(O)(CNC(=O)[C@H](C)CSC)C1 1754765117 XIHAGPGIJNSXQV-LLVKDONJSA-N 315.439 -0.549 30 20 DBED C=CCN1CCC[C@](CO)(NC(=O)[C@@H]2CCN(C)C(=O)C2)C1 1754855313 MXBXDFAOWDBSIS-CJNGLKHVSA-N 309.410 -0.016 30 20 DBED C#CCCN1CCC[C@](CO)(NC(=O)c2cc(C(N)=O)c[nH]2)C1 1754858830 JWIUGFJPXYMKNI-INIZCTEOSA-N 318.377 -0.306 30 20 DBED C#CCOCCC(=O)NC[C@@H]1COCCN1CCn1cncn1 1754967180 BYPCNYVIAHHYPG-CQSZACIVSA-N 321.381 -0.865 30 20 DBED CC#CCCCC(=O)NC[C@@H]1COCCN1Cc1nnn(C)n1 1754970107 NDTHOMXFCRQWAN-CYBMUJFWSA-N 320.397 -0.279 30 20 DBED CCn1ccc(C(=O)N2C[C@H](C)[C@@H](NCC(=O)NCC#N)C2)n1 1755116142 IORLUEJOIGMROG-AAEUAGOBSA-N 318.381 -0.407 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)c2cnn[nH]2)C(C)(C)C1 1755141295 MGFLYRDSUYJZKU-GFCCVEGCSA-N 318.381 -0.616 30 20 DBED N#CCN1CCC(CO)(NC(=O)c2cnc3[nH]nnc3c2)CC1 1755178351 ZEYJFYUQOCOPII-UHFFFAOYSA-N 315.337 -0.567 30 20 DBED C=C(C)CN(C)C[C@H]1CCCN1C(=O)CN1CCNC(=O)C1 1755196135 GHOCULNAVFFYIG-CQSZACIVSA-N 308.426 -0.083 30 20 DBED C=C1CC(C)(C(=O)NC2(CCO)CN([C@@H]3CCNC3=O)C2)C1 1755336498 WCGUMPNKSQZFIZ-GFCCVEGCSA-N 307.394 -0.216 30 20 DBED C#CCNC(=O)CN1CCO[C@]2(CCN(C(=O)C(F)F)C2)C1 1755399869 SYPMGZUOUNVUAE-CQSZACIVSA-N 315.320 -0.696 30 20 DBED CN(C(=O)c1n[nH]cc1F)[C@H](CNCC(=O)NCC#N)C1CC1 1755565654 COHNFEGQTLGMFT-LLVKDONJSA-N 322.344 -0.371 30 20 DBED C#CCNC(=O)CN[C@@H]1C[C@H](C)N(C(=O)CC2OCCCO2)C1 1755672757 CKFAYZKGYOUAPT-QWHCGFSZSA-N 323.393 -0.532 30 20 DBED C#CCNC(=O)CN1CCC[C@@H](NC(=O)c2cnn(C)c2)[C@H]1C 1755711374 FVTBHQVWMYJHLK-TZMCWYRMSA-N 317.393 -0.248 30 20 DBED C#CCNC(=O)CN1CC=C(CNC(=O)c2c[nH]nc2C)CC1 1755891036 RERKFGLCRFYYDG-UHFFFAOYSA-N 315.377 -0.171 30 20 DBED CC(C)C#CC(=O)NC[C@H](O)CN(C)C(=O)[C@H]1CC(=O)N(C)C1 1756667209 OWGGWFFVZIPONA-STQMWFEESA-N 323.393 -0.940 30 20 DBED C=CC(C)(C)C(=O)NC1CC(N(C)C(=O)Cn2ncnn2)C1 1756740789 UCJORMOOTFMHHI-UHFFFAOYSA-N 306.370 -0.009 30 20 DBED C=CCCOCC(=O)N1C[C@H]2CCN(C(=O)CC(N)=O)C[C@H]21 1757234965 SWOLKYJVMJBFAK-VXGBXAGGSA-N 309.366 -0.486 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CCCCCN(C(=O)C(N)=O)C1 1757493178 BKJNFTCVIWYWJD-VXGBXAGGSA-N 311.382 -0.050 30 20 DBED C#CCNC(=O)CNS(=O)(=O)c1ccc(C(=O)O)c(F)c1 1776135062 YOAKMILIUKNOIA-UHFFFAOYSA-N 314.294 -0.448 30 20 DBED COCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC#N)[C@H]2C1 1786365674 RHUMUIRNGHBZQI-AVGNSLFASA-N 309.366 -0.084 30 20 DBED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NC=O)C2 1802025374 XURQRNVPWBAXLR-XPCVCDNBSA-N 321.377 -0.876 30 20 DBED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1 1840172397 KSGJVFZYIVPAPJ-OAHLLOKOSA-N 307.350 -0.067 30 20 DBED CN(CCC(=O)O)S(=O)(=O)N1CCN(CCC#N)CC1 158765958 BFAUXPPXZUSAFT-UHFFFAOYSA-N 304.372 -0.831 30 20 DBED C#CCN(CC)S(=O)(=O)c1cnc2c(c1)c(=O)nc(O)n2C 264115845 UQNSHKMCOYOCDF-UHFFFAOYSA-N 322.346 -0.322 30 20 DBED C[C@H]1CN(C2CC2)C[C@@H]1Nc1c(C#N)c(=O)n(C)c(=O)n1C 268138973 JWVXOVRNZWVKDZ-CABZTGNLSA-N 303.366 -0.150 30 20 DBED C#CC[C@@H](NS(=O)(=O)CC1(CC(=O)OC)CC1)C(=O)O 275050821 SIHMJNAZVOVVSU-SECBINFHSA-N 303.336 -0.274 30 20 DBED C#CCN1CCC(C(=O)N2CCC[C@H](O)[C@@H]2C(=O)OC)CC1 275514785 IOYSUDUPXUEQGJ-UONOGXRCSA-N 308.378 -0.144 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCO[C@](C)(CC)C2)C1=O 275986542 MDCXXOCKORKAJS-OAHLLOKOSA-N 323.349 -0.009 30 20 DBED C=CCn1c(S(=O)(=O)CC(=O)NC2CCCC2)n[nH]c1=O 278520116 GKDAKRKCBQFODS-UHFFFAOYSA-N 314.367 -0.410 30 20 DBED C=C[C@@H](CO)NC(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1 290692209 VCICGWFCHMXQSK-GXFFZTMASA-N 302.334 -0.230 30 20 DBED COCCN1CCN(/C(O)=N/C[C@@H]2CCCS2(=O)=O)CC1 330120715 GMVGHLNZSWUXNB-LBPRGKRZSA-N 319.427 -0.258 30 20 DBED Cc1nc([C@@H]2CN(/C(O)=N/C[C@@H]3CN(C)CCO3)CCO2)n[nH]1 330345685 FMRFSHZNHCSJNN-NEPJUHHUSA-N 324.385 -0.269 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1CC[C@@H](C)[C@@H]1CO 330372031 ABMCGSWIXWEKLU-NEPJUHHUSA-N 305.400 -0.204 30 20 DBED COC(=O)[C@@H](C)CN(C)S(=O)(=O)N1CCO[C@H](C#N)C1 336898686 AKRDUBLCJWTNDT-VHSXEESVSA-N 305.356 -0.804 30 20 DBED COCCC1(CNS(=O)(=O)N2CCO[C@H](C#N)C2)CC1 336956557 ZQZJUHOODPOVRG-LLVKDONJSA-N 303.384 -0.138 30 20 DBED COCCN(CCC#N)S(=O)(=O)NCC1([S@](C)=O)CC1 337186573 DFACIHFDHWEZAF-IBGZPJMESA-N 323.440 -0.406 30 20 DBED COC(=O)[C@@H](NS(=O)(=O)Cc1cccc(C#N)c1)[C@@H](C)O 344538303 NCMJIPQNNDUXQF-SKDRFNHKSA-N 312.347 -0.100 30 20 DBED CS(=O)(=O)NCCNC(=O)NCCc1cccc(C#N)c1 347132468 PNKYCSMCGIDMNF-UHFFFAOYSA-N 310.379 -0.051 30 20 DBED N#CCNS(=O)(=O)CCCS(=O)(=O)N1CCCCO1 349473663 YRCYMGYCFBNLBU-UHFFFAOYSA-N 311.385 -0.823 30 20 DBED COC(=O)[C@@H]1CNC(=O)CN1C(=O)Cc1c(F)cccc1C#N 355449855 BNGCFTUXVJLURI-LBPRGKRZSA-N 319.292 -0.260 30 20 DBED C=C[C@@H](CO)NC(=O)CNS(=O)(=O)c1cccc(F)c1 356854298 JURFHOAOCASIIS-JTQLQIEISA-N 302.327 -0.233 30 20 DBED N#Cc1cccc(CNC(=O)CN2CC[C@@H](S(N)(=O)=O)C2)c1 357393088 SIMKLBYLBDZCJR-CYBMUJFWSA-N 322.390 -0.463 30 20 DBED CCN1C(=O)[C@H]2CN([C@@H](C)C(=O)N(C)CCC#N)CCN2C1=O 369451927 MFRVBTJTKOUBKB-NWDGAFQWSA-N 321.381 -0.285 30 20 DBED N#C[C@@H]1CN(C(=O)CCCS(=O)(=O)N2CCCC2)CCO1 408094087 FEFGNHNDOHPSNT-GFCCVEGCSA-N 315.395 -0.057 30 20 DBED C=CCn1cc(CNC(=O)NCCCN2CCNCC2)nn1 424482823 VIBPVXWQTKUNNM-UHFFFAOYSA-N 307.402 -0.441 30 20 DBED CC[C@@H](CC#N)NC(=O)C(=O)Nc1ccn(CCN(C)C)n1 439559906 BFNKNJSZCKCHNX-NSHDSACASA-N 306.370 0.192 30 20 DBED C[C@@](O)(CNS(=O)(=O)CCCC#N)CN1CCOCC1 443238362 LIGXWHOPFACBKE-GFCCVEGCSA-N 305.400 -0.707 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCN[C@H](C)C2)C1=O 447515377 BVYSLBQWBJBIIZ-NXEZZACHSA-N 308.338 -0.780 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)COC[C@@H]2CCCO2)CC1 491656201 AYDGTHUXMWBZFK-AWEZNQCLSA-N 323.393 -0.924 30 20 DBED C#CCN1CCN(C(=O)CN2CC[C@H](C)[S@](=O)CC2)CC1 491675414 XGFLNJOVERRLNA-LHSJRXKWSA-N 311.451 -0.393 30 20 DBED CC[C@](C)(C#N)NC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 525197759 QYXVQUUJPKOUJT-VGBWGTMZSA-N 305.334 -0.043 30 20 DBED N#Cc1ncn(CC(=O)NCCN2C(=O)Cc3ccccc32)n1 533182145 UZTDQIXPUVNVAF-UHFFFAOYSA-N 310.317 -0.145 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)N2CC[C@@H](CO)[C@@H](O)C2)cc1 546697471 KDKBTKSHLQAQIH-KBPBESRZSA-N 317.345 -0.510 30 20 DBED C[C@@H](C#N)S(=O)(=O)N1CCC[C@@](O)(C(=O)N2CCCC2)C1 566865578 DMVIOBZJRIGJEQ-AAEUAGOBSA-N 315.395 -0.322 30 20 DBED N#CCCN1CCN(C(=O)C(=O)N2[C@H]3CC[C@H]2CC(O)C3)CC1 601425069 SUFHWVRNZRYUQU-STQMWFEESA-N 320.393 -0.441 30 20 DBED CN(CCC#N)S(=O)(=O)N1CCN([C@@H]2CCC[C@H]2O)CC1 611540600 FKTPWOUFKHMUQU-CHWSQXEVSA-N 316.427 -0.392 30 20 DBED Cn1c(=O)c2cc(C(=O)NCC(C)(C)C#N)n(C)c2n(C)c1=O 611688138 IDKRBZSXLGDBQZ-UHFFFAOYSA-N 317.349 -0.145 30 20 DBED CS(=O)(=O)N1CCN(CC(=O)N2CC[C@@](F)(C#N)C2)CC1 615826780 ZGGPPVOWTNTRFV-GFCCVEGCSA-N 318.374 -0.972 30 20 DBED C=CCn1cc(C(=O)N2CCN(Cc3nc[nH]n3)CC2)nn1 652898666 CWDMZSPRACDWNH-UHFFFAOYSA-N 302.342 -0.460 30 20 DBED C#CCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccccn2)c1=O 758052595 RDKMELQHDDKIEG-UHFFFAOYSA-N 324.365 -0.813 30 20 DBED C#C[C@@H](NC(=O)NCCS(=O)(=O)NC1CC1)[C@H]1CCCO1 776116938 GXWXOHKLMOWVBJ-VXGBXAGGSA-N 315.395 -0.452 30 20 DBED C#CCC[C@H](O)CNC(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 798387786 CFHRAKCKIKZHPL-NEPJUHHUSA-N 317.411 -0.516 30 20 DBED C#CCOCCNC(=O)C(=O)N=c1ccnc2n(C)[nH]cc1-2 806969387 TWVNFGNVGRWSIN-UHFFFAOYSA-N 301.306 -0.954 30 20 DBED CC(C)(C)OC(=O)NCC[C@@H](O)CNCC(=O)NCC#N 819313203 ZUIWRYFFWSYQFZ-SNVBAGLBSA-N 300.359 -0.509 30 20 DBED O=C(N[C@H]1CCCN(O)C1=O)c1ccccc1-n1cnnn1 820482623 OXYTVGHXMNZORY-JTQLQIEISA-N 302.294 -0.228 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@@H]1CCN(CCC)C1)[C@@H]1CCCO1 829213795 CGCCGIFFSMKSRA-RDBSUJKOSA-N 307.394 -0.116 30 20 DBED C#CCOCCNC(=O)C(=O)Nc1cccc(C(=O)OC)n1 845914870 BVOBPUVMFYQSPM-UHFFFAOYSA-N 305.290 -0.427 30 20 DBED C#CCCS(=O)(=O)NC(=O)[C@@]1(c2ccccc2)CNC(=O)C1 847698477 AVPFZCRAGNNYMC-OAHLLOKOSA-N 320.370 -0.086 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N[C@H](C)C(=O)N(C)OC 858356431 VYPVFWNCKNROSC-SECBINFHSA-N 307.372 -0.705 30 20 DBED C#CCN1CCN(C(=O)[C@@H]2CC(=O)N(c3cnn(C)c3)C2)CC1 859357066 HXPJDKDHLJRLMR-CYBMUJFWSA-N 315.377 -0.450 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)CN(C)C2CCC2)CC1 863866147 QWJINVHPEPYGSQ-UHFFFAOYSA-N 320.437 -0.246 30 20 DBED COCCN(C)CCN1C[C@@H](NC(=O)C#CC(C)C)CC1=O 868386439 DVFRQPZXUUHJDV-AWEZNQCLSA-N 309.410 -0.059 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@@]23CCCN(CC2)C3)CC1 896153327 SVMFQHNOYHMBHF-KRWDZBQOSA-N 318.421 -0.634 30 20 DBED C[C@@H](C(=O)N1CCCN(C(=O)[C@H](C)C#N)CC1)S(C)(=O)=O 941553330 TWBTUDGSEDSVJF-MNOVXSKESA-N 315.395 -0.360 30 20 DBED COc1nccc(C(=O)N[C@@H]2CCN(C(=O)[C@H](C)C#N)C2)n1 941828597 ABFRDJLWSFNBPM-NXEZZACHSA-N 303.322 -0.024 30 20 DBED CCn1nncc1C(=O)NC[C@@H]1CN(C(=O)[C@H](C)C#N)CCO1 944577225 CBYONVJFAJMWBW-GHMZBOCLSA-N 320.353 -0.585 30 20 DBED C#CCN1CC[C@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)[C@H](C)C1 944651077 CVRFYXSVQSPWDT-NEPJUHHUSA-N 320.393 -0.223 30 20 DBED C#Cc1ccccc1CC(=O)N1CCC[C@@H](NC(=O)C(N)=O)C1 951510538 NUBDSMMQUMHCQA-CQSZACIVSA-N 313.357 -0.197 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](C2CCN(C(=O)C(N)=O)CC2)C1 952305629 VAXRRXCDBWKSJV-CMPLNLGQSA-N 306.366 -0.282 30 20 DBED C=CCCn1cc(C(=O)N(CC)C2CN([C@H](C)C(N)=O)C2)nn1 952429835 ZJVNZYJBVWPJGV-LLVKDONJSA-N 320.397 -0.126 30 20 DBED C#CCCN1C[C@H](CNC(=O)c2cc(C(N)=O)cn2C)[C@@H](O)C1 958220339 WURJQWMBASKXNG-JSGCOSHPSA-N 318.377 -0.830 30 20 DBED C#Cc1cncc(C(=O)NC[C@@H]2CN(CCCO)C[C@@H]2O)c1 958389312 DRKVSSWXLZHDPH-CABCVRRESA-N 303.362 -0.532 30 20 DBED C=C(C)CN1C[C@H](CNC(=O)C2CC(=O)NC(=O)C2)[C@@H](O)C1 958476341 ITOIMPLCEYYKEC-RYUDHWBXSA-N 309.366 -0.976 30 20 DBED CS(=O)(=O)CCN1C[C@H]2C(NC(=O)c3c[nH]c(C#N)c3)[C@@H]2C1 958617285 DXYMAUVOKVSGAO-VXGBXAGGSA-N 322.390 -0.409 30 20 DBED N#CCN1C[C@@H](O)[C@H](CNC(=O)c2ccc(C(N)=O)cc2)C1 958662184 PGWLDGPFZYSFMT-CHWSQXEVSA-N 302.334 -0.668 30 20 DBED O=C(C#CC1CC1)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1ncc[nH]1 960350814 LSXJJSXXGVOAKO-QWHCGFSZSA-N 314.345 -0.125 30 20 DBED COCCn1nc(C(=O)N[C@H]2[C@@H]3CN(CC#N)C[C@@H]32)ccc1=O 960933611 VAAYBSHCMHFASN-YABSGUDNSA-N 317.349 -0.927 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CN(C(=O)[C@@H]3COCCN3C)C[C@H]2C1 961409486 JHOPQELJWSKPGF-FQUUOJAGSA-N 320.393 -0.607 30 20 DBED C#CCCN1C[C@H]2[C@H](NC(=O)CN3C(=O)NC(=O)C3(C)C)[C@H]2C1 962192005 KNNKESNKBPFHSH-PJXYFTJBSA-N 318.377 -0.614 30 20 DBED C#CCN1C[C@H]2C(NC(=O)c3cccc(-n4cnnn4)c3)[C@@H]2C1 962509503 OOJLEIVBSRAAGG-ZIAGYGMSSA-N 308.345 -0.045 30 20 DBED Cn1nc(C2CC2)nc1CC(=O)N[C@H]1[C@@H]2CN(CC#N)C[C@@H]21 962654144 QEULOCVZIHCVMP-YABSGUDNSA-N 300.366 -0.195 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)C1CCOCC1 964063922 SFVYGLPAYPNWFA-DGCLKSJQSA-N 309.366 -0.084 30 20 DBED C#CCNC1CC2(C1)CC(NC(=O)CN1CCNC(=O)C1)C2 964605270 GAYGSDZNYIPJHK-UHFFFAOYSA-N 304.394 -0.932 30 20 DBED C=C1CCC(C(=O)N2CCOC3(CN(C(=O)C(N)=O)C3)C2)CC1 965473485 SLJDLFPXXZJKDS-UHFFFAOYSA-N 321.377 -0.342 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCC(=O)N1 969501056 FSZVDNAUJARYKV-YFKTTZPYSA-N 304.350 -0.374 30 20 DBED C=CCn1cc(C(=O)N2CC[C@@H](NCc3cn(C)nn3)C2)nn1 970203658 FHKLSQWRMWPOIC-LLVKDONJSA-N 316.369 -0.403 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)c3nc[nH]n3)C[C@@H]2O)C1 970394864 IDLPLQRMGGPJFM-ZJUUUORDSA-N 305.338 -0.538 30 20 DBED C#CCN1C[C@H]2CC[C@H]1CN2C(=O)CC[C@@H]1NC(=O)NC1=O 972091346 KKZDMKSTRZUTDL-TUAOUCFPSA-N 304.350 -0.717 30 20 DBED O=C1NC[C@@H](C(=O)NC[C@H]2CCCN(C(=O)C#CC3CC3)C2)N1 975492338 UELREJDXXNEUTB-OLZOCXBDSA-N 318.377 -0.564 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]1CN(C)C(=O)c1cn(C)c(=O)cn1 978163473 XQVLPKKTHVIPSI-GHMZBOCLSA-N 317.349 -0.387 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1[C@@H]2CN(CC(N)=O)C[C@H]12 978827190 JNQAURCEWWTRGM-BAYHKCFCSA-N 307.394 -0.253 30 20 DBED CC#CCN1C[C@H]2C[C@@H](NC(=O)Cn3ncnn3)CC[C@H]2C1 979708976 GCLDXTXHLHSJCQ-MJBXVCDLSA-N 302.382 -0.087 30 20 DBED C=CCN[C@@H]1CCC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 981097180 AHBHNCXDXYFCFH-GHMZBOCLSA-N 306.370 -0.420 30 20 DBED C=C1CC(C)(C(=O)N2CC[C@H](CNC(=O)[C@@H]3CNC(=O)N3)C2)C1 983260190 IUWGFNRXYDLOMG-NEPJUHHUSA-N 320.393 -0.011 30 20 DBED Cc1cccn(CC(=O)NC2CN(C(=O)[C@H](C)C#N)C2)c1=O 991508653 WCJUCSDSUZUUFM-LLVKDONJSA-N 302.334 -0.357 30 20 DBED C#CCOc1ncccc1C(=O)N[C@H]1CCN(C(C)=O)C[C@@H]1O 991638293 LYDRYSTZWOHNRN-KBPBESRZSA-N 317.345 -0.195 30 20 DBED N#CCN1CC[C@@]2(NC(=O)CN3CCNC(=O)C3)CCC[C@H]12 992086629 SBSQAJFWNBDOAF-WFASDCNBSA-N 305.382 -0.945 30 20 DBED C=CCn1cc(C(=O)N2CC(NC(=O)[C@H]3C[C@H](C)CO3)C2)nn1 997524784 OKFURPCHGHJBFS-GXFFZTMASA-N 319.365 -0.170 30 20 DBED C=CC(C)(C)C(=O)N1CC(CNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 1001922955 PXRATNOVVNIEKI-JTQLQIEISA-N 322.365 -0.629 30 20 DBED C=C(Cl)CN1CCC[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 1008702402 FVZVUMJCUISICB-ZJUUUORDSA-N 314.773 -0.082 30 20 DBED CCn1ncc(C(=O)NCC2[C@@H]3CN(C(=O)[C@H](C)C#N)C[C@@H]23)n1 1009045309 XKBVUNDVXSTNFO-USWWRNFRSA-N 316.365 -0.108 30 20 DBED C=CCN1CC[C@@H](N2CC[C@@H](NC(=O)Cn3cccn3)C2)C1=O 1010210764 FAFPJERNQJZBLO-ZIAGYGMSSA-N 317.393 -0.140 30 20 DBED C[C@@H]1[C@H](NC(=O)c2cnnn2C)CCN1C(=O)C#CC1CC1 1011739931 WVXQNYNTGZUULI-ZYHUDNBSSA-N 301.350 -0.052 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C(=O)C(C)(C)S(C)(=O)=O)CC1 1012331152 QDOXBPRJWCYDFK-JTQLQIEISA-N 315.395 -0.360 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2C[C@H](C)N(C(=O)CC(N)=O)C2)c1 1012406772 CXRVWSIHQQDRRO-GXFFZTMASA-N 314.345 -0.343 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2cn(C)nn2)C1 1014775008 LKWKXVNUFHKNMJ-ZFWWWQNUSA-N 316.409 -0.397 30 20 DBED C[C@H]1[C@H](NC(=O)c2cc(C#N)c[nH]2)CCCN1C(=O)CC(N)=O 1014854607 YPFCRHZDJFFSRS-GXSJLCMTSA-N 317.349 -0.129 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCN(C(=O)[C@@H]3COC(=O)N3)C2)C1 1019363594 XHHCMGPXKAJZMX-ZJUUUORDSA-N 306.322 -0.685 30 20 DBED O=C(C#CC1CC1)N1C[C@@H]2CCN(C(=O)[C@H]3COCCO3)[C@@H]2C1 1021129954 DTJQKEMEYPLYNU-RRFJBIMHSA-N 318.373 -0.126 30 20 DBED CC(F)(F)C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1O 1022898933 VRYXJZYVXOARCU-NXEZZACHSA-N 312.276 -0.157 30 20 DBED CC[C@H](F)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 1023463359 WDMONLONKQMGMT-QJPTWQEYSA-N 308.313 -0.064 30 20 DBED C=C(C)CN1CC(NC(=O)CN2CCCCS2(=O)=O)C1 1030685003 BZWCCVRENADWNP-UHFFFAOYSA-N 301.412 -0.212 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)c3ccncn3)C2)C1=O 1031124818 RSMMIKNGQLFVCR-CYBMUJFWSA-N 301.350 -0.323 30 20 DBED CCN(C(=O)[C@@H]1Cc2cncn2C(=O)N1)[C@H]1CCN(CC#N)C1 1033904770 CQCBTNLVWSMKJZ-AAEUAGOBSA-N 316.365 -0.188 30 20 DBED C#CCN1CCO[C@H](CNC(=O)c2cc3c(cn2)OCCO3)C1 1035398218 OMORWYSPABWACA-GFCCVEGCSA-N 317.345 -0.083 30 20 DBED C#CCCN1CCO[C@@H](CNC(=O)c2ccc(C(N)=O)[nH]2)C1 1035512642 XCCWTKCCDGNLSF-NSHDSACASA-N 304.350 -0.433 30 20 DBED C#CCCN1CCO[C@@H](CNC(=O)c2cnc(OC)nc2)C1 1035567290 DJEPIXWOLATZFH-ZDUSSCGKSA-N 304.350 -0.061 30 20 DBED C=CCN[C@H]1CCN(C(=O)CN2CCNC(=O)C2)C[C@H]1CC 1037894557 ZIKDMNKRGAFLPD-KGLIPLIRSA-N 308.426 -0.179 30 20 DBED C[C@H](c1nnnn1C)N1CC[C@@H]1CNC(=O)c1cc(C#N)c[nH]1 1038139505 KEBVHISRYSYIMB-MWLCHTKSSA-N 314.353 -0.025 30 20 DBED CC(C)C#CC(=O)N1CC[C@](O)(CNC(=O)[C@H]2CCN(C)C2)C1 1039760958 WVKOSQDXHQKOEU-YOEHRIQHSA-N 321.421 -0.323 30 20 DBED COC[C@H](C)C(=O)N1CC(O)(CNC(=O)c2c[nH]c(C#N)c2)C1 1042669106 GAYZMBXHNHJYOZ-JTQLQIEISA-N 320.349 -0.528 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2C(=O)OC)C1 1042803039 QYTUCQDPZTZJQF-VXGBXAGGSA-N 322.361 -0.712 30 20 DBED CCCN(C)CC(=O)N1CC(O)(CNC(=O)C#CC(C)C)C1 1042937862 MCRHQVZMABFBLS-UHFFFAOYSA-N 309.410 -0.323 30 20 DBED CC1(C(=O)N2CC(O)(CNC(=O)C#CC3CC3)C2)CCOCC1 1042959016 SRJHYIHPCJTWCC-UHFFFAOYSA-N 320.389 -0.094 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCO[C@@H]2C)C1 1043032685 FRBBJJDTUOZEJM-CHWSQXEVSA-N 324.377 -0.859 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)c2occc2C)C1 1043032846 JZCIACDOAXDFQH-UHFFFAOYSA-N 320.345 -0.069 30 20 DBED CN1CCC[C@@H]1C(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@@H]1O 1043873503 CTBMCRIJXBDXIK-MCIONIFRSA-N 315.377 -0.287 30 20 DBED C=C[C@H](C)[C@H](C)C(=O)NCC1(O)CN(C(=O)c2ncn(C)n2)C1 1044980533 OADGLMYCTFOJOH-QWRGUYRKSA-N 321.381 -0.424 30 20 DBED CC#CCCCC(=O)NCC1(O)CN(C(=O)C(C)(C)C(N)=O)C1 1044999308 WMSSYGAFDINIPY-UHFFFAOYSA-N 323.393 -0.619 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)[C@@H](C)n2cccc2)C1 1045540946 NFDAZNJQAWJSQI-VXGBXAGGSA-N 304.350 -0.102 30 20 DBED C#CCN1CC[C@](C)(NC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1 1046618770 JPSPKDBDQQVZOG-WWGRRREGSA-N 307.394 -0.164 30 20 DBED C#CCN1CC[C@@](C)(NC(=O)c2nc(O)nc(O)c2OC)C1 1046773464 ZTSVAKFCJUKNKF-CQSZACIVSA-N 306.322 -0.276 30 20 DBED CC#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cnn[nH]2)C1 1049066159 USOUJVSCADXKAN-STQMWFEESA-N 319.365 -0.358 30 20 DBED N#CCN1CCOC[C@H]1CNC(=O)c1ccc2c(n1)OCCO2 1051002948 IQGBUQQQYAZYHC-LLVKDONJSA-N 318.333 -0.193 30 20 DBED C#CCCN1CCOC[C@H]1CNC(=O)c1ccnc2[nH]nnc12 1051015937 HUARGLCBCCQNFG-LLVKDONJSA-N 314.349 -0.193 30 20 DBED Cn1nnc2cc(C(=O)NC[C@@H]3COCCN3CC#N)cnc21 1051025805 MNHFEHSMWFJMIB-LLVKDONJSA-N 315.337 -0.683 30 20 DBED CNC(=O)c1cccc(C(=O)NC[C@@H]2COCCN2CC#N)n1 1051229223 WRYYZBGUWFDJFL-LLVKDONJSA-N 317.349 -0.605 30 20 DBED C=CCCN1CCN([C@H]2CCN(C(=O)[C@H]3COC(=O)N3)C2)CC1 1052018050 AZBRWUXRMNKDBL-UONOGXRCSA-N 322.409 -0.111 30 20 DBED C[C@H]1CN(C(=O)Cn2nccn2)C[C@@H]1CNC(=O)C#CC1CC1 1052685087 YELIRANXTRIZKL-JSGCOSHPSA-N 315.377 -0.098 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)[C@]1(C)CCNC(=O)C1)CCO2 1053309030 VZHYMBXSYPKRHE-MRXNPFEDSA-N 319.405 -0.161 30 20 DBED C=CCN1CC2(CC[C@@H](CNC(=O)c3c[nH]c(=O)cn3)O2)C1 1053654270 HVHPFEUGCUOVRU-NSHDSACASA-N 304.350 -0.081 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)[C@@H]3CCNC(=O)C3)CO2)C1 1053774863 LGAAXSGCXACDDB-OLZOCXBDSA-N 305.378 -0.505 30 20 DBED C=C(Cl)CN1CC2(C[C@@H](NC(=O)[C@@H]3CCNC3=O)CO2)C1 1053889765 QXWOAAMWDAWELR-GHMZBOCLSA-N 313.785 -0.166 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)c3ccc4nncn4c3)CO2)C1 1053955509 KZQPALDDEBXGGU-ZDUSSCGKSA-N 311.345 -0.064 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)C(=O)N3CC[C@@H](C)C3)CO2)C1 1053976993 LWWALYYJIHTCHR-ZIAGYGMSSA-N 319.405 -0.162 30 20 DBED CC(=O)N1CC[C@H](C(=O)N[C@@H]2COC3(C2)CN(CC#N)C3)C1 1053995178 ULGQXKVOLYENGQ-STQMWFEESA-N 306.366 -0.662 30 20 DBED C=CC(C)(C)CC(=O)NC1CCN(CCNC(=O)C(N)=O)CC1 1055629271 SPBGFJOPUZVTPZ-UHFFFAOYSA-N 324.425 -0.229 30 20 DBED O=C(C#CC1CC1)N[C@]1(CO)CCCN(C(=O)c2cnon2)C1 1055939221 UQSHPHGVSYSURN-OAHLLOKOSA-N 318.333 -0.434 30 20 DBED C[C@H](C#N)C(=O)N[C@]1(CO)CCCN(C(=O)Cn2ccnc2)C1 1056096519 IPRUPXUESTWNDE-IUODEOHRSA-N 319.365 -0.488 30 20 DBED C=CCOCC(=O)N1C[C@@H]2CCCN(C(=O)CC(=O)NC)[C@@H]2C1 1056650762 VDKKHSXNJRPELO-QWHCGFSZSA-N 323.393 -0.226 30 20 DBED C=CCn1cc(C(=O)NCCN(CCO)C(=O)C2CC2)nn1 1056757910 KGTYUTUEWXDEDL-UHFFFAOYSA-N 307.354 -0.575 30 20 DBED N#Cc1ccc(N[C@@H]2CCN(C(=O)[C@H]3CNC(=O)N3)C2)nc1 1056764169 KSUNKIYNRUCZSC-GHMZBOCLSA-N 300.322 -0.353 30 20 DBED CN(c1cncc(C#N)n1)[C@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 1057033583 XVKZYBRRYOLFTP-TUAOUCFPSA-N 314.349 -0.493 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)CCc1ccn(C)n1 1057810454 ZCRJPNDQCGARON-GFCCVEGCSA-N 321.381 -0.551 30 20 DBED N#Cc1nccnc1N1CCC[C@@H](NC(=O)[C@@H]2COCCO2)C1 1058120307 LXKFTPLHSINEJW-YPMHNXCESA-N 317.349 -0.151 30 20 DBED C#Cc1ccc(C(=O)N(CCO)CCNC(=O)COC)cn1 1058238424 CBHDOLNMGGAENR-UHFFFAOYSA-N 305.334 -0.740 30 20 DBED N#Cc1ccc(N2CC[C@@H](NC(=O)CN3CCOCC3)C2)nn1 1058324246 BRSCMYADHWOJMN-CYBMUJFWSA-N 316.365 -0.625 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)c1cnc2n1CCC2 1058661032 NHIOUUBMOFSUHI-LLVKDONJSA-N 319.365 -0.460 30 20 DBED Cc1cc(=N[C@H]2C[C@@H](NC(=O)[C@@H]3COC(=O)N3)C2)c(C#N)c[nH]1 1059626921 PGQXRZLZDPFRJP-LOWVWBTDSA-N 315.333 -0.149 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](CNc2nccn3nnnc23)C1 1060826460 YHUOJCAQQZLOLU-ZJUUUORDSA-N 300.326 -0.061 30 20 DBED C#CCCCC(=O)NC[C@H]1COCCN1C(=O)CC(=O)N(C)C 1061540384 JRQWQAYIVHLFQG-ZDUSSCGKSA-N 323.393 -0.388 30 20 DBED C=CCCOCC(=O)NC[C@@H]1COCCN1C(=O)[C@@H](C)OC 1061666687 POQAVJMXYPPKKK-CHWSQXEVSA-N 314.382 -0.042 30 20 DBED C=CCCCC(=O)N1CCOC[C@H]1CNC(=O)[C@H]1CNC(=O)N1 1061828170 PWTHVMVHPMFCPG-VXGBXAGGSA-N 324.381 -0.632 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)C2(N(C)C)CCC2)C1 1065556932 LLQHAHCQXKHCSF-STQMWFEESA-N 322.409 -0.026 30 20 DBED CN(CCCN(C)C(=O)[C@H]1CN(C)C(=O)N1)C(=O)C#CC1CC1 1067380131 FHJWYZIRBSPJEO-CYBMUJFWSA-N 320.393 -0.270 30 20 DBED COCC(=O)N1CCC(O)(CNc2ccc(C#N)nn2)CC1 1067462967 RIEDFCWLAJJSSS-UHFFFAOYSA-N 305.338 -0.240 30 20 DBED C=C[C@H](CC)CC(=O)N1CC2(CC[C@@H](CNC(=O)C(N)=O)O2)C1 1068617608 CLSTXSKINWPLBM-NEPJUHHUSA-N 323.393 -0.050 30 20 DBED C=C[C@](C)(CC)C(=O)N[C@H]1COC2(C1)CN(C(=O)C(N)=O)C2 1069017239 JLPWZNKKPYBIJD-QMTHXVAHSA-N 309.366 -0.440 30 20 DBED C#CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)C2=COCCO2)C1 1069892917 VZLVXOZFFJKWPV-OLZOCXBDSA-N 317.349 -0.469 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2cc(C)no2)C[C@@H]1n1ccnn1 1070137339 DIJKOMBAIRPAOF-NEPJUHHUSA-N 300.322 -0.137 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)C(C)(C)C(N)=O)CCOCC1 1070232084 BPNXWRPLONGGMW-SNVBAGLBSA-N 324.381 -0.561 30 20 DBED N#CCN1C[C@@H](F)C[C@@H]1c1n[nH]c(CNC(=O)c2cnn[nH]2)n1 1070732480 OPGQRVYWDDQGOF-IONNQARKSA-N 319.304 -0.539 30 20 DBED CN1CC[C@@H](C(=O)N2CCC(=O)NCCN(CC#N)CC2)C1 1071021780 GGSYBBIDCWOBML-CYBMUJFWSA-N 307.398 -0.888 30 20 DBED C#CCN1CC[C@@]2(C1)CN(C(=O)Cn1nccn1)C[C@@H](C)O2 1071173533 JRASMGDAPDOTAP-UKRRQHHQSA-N 303.366 -0.397 30 20 DBED C=CCOCC(=O)N1C[C@@H](NC(=O)c2cncnc2O)[C@H](C)C1 1071812750 VQWTUFFAKFVFJB-ZYHUDNBSSA-N 320.349 -0.039 30 20 DBED CC#CCN1C[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)CC[C@H]1C 1071990368 YYOYWUIELRWMBX-OLZOCXBDSA-N 320.393 -0.127 30 20 DBED C#CCCCC(=O)N1C[C@H](C)[C@@H](NC(=O)Cn2ncnn2)C1 1071991542 KDGYFCQRIWZMIJ-RYUDHWBXSA-N 304.354 -0.560 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1C 1072184709 ZGTWQHYLZBNZTC-CHWSQXEVSA-N 319.365 -0.719 30 20 DBED C=CCCOCC(=O)N1C[C@@H](NC(=O)C2(C(N)=O)CC2)[C@H](C)C1 1072335692 FXNNHBXLHBVGFC-VXGBXAGGSA-N 323.393 -0.192 30 20 DBED C=CCOCC(=O)N1CC[C@@H](NC(=O)c2nnn(C)n2)[C@H](C)C1 1074110777 WAGZZFLMLOAZDU-GHMZBOCLSA-N 322.369 -0.621 30 20 DBED C=C(C)CN1CCO[C@H]2CCN(C(=O)Cn3cnnn3)C[C@@H]21 1074159252 BPHNIQACNNPTME-STQMWFEESA-N 306.370 -0.449 30 20 DBED Cc1n[nH]cc1C(=O)N1CCC(O)(CNC(=O)[C@@H](C)C#N)CC1 1074657234 DJERRVXFHKYORU-JTQLQIEISA-N 319.365 -0.039 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(O)(CNC(=O)CN2CCCC2)CC1 1074706364 JWVIRSKJGNFJKE-ZDUSSCGKSA-N 322.409 -0.288 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(C(=O)Cn2nccn2)[C@@H](C)C1 1074895187 ZSFDPLFBIQLQKI-STQMWFEESA-N 321.381 -0.024 30 20 DBED C#CCO[C@@H](C)C(=O)NCC[C@H](C)NC(=O)c1cnn(CC)n1 1076507544 KYLSXAPPUSZVMX-RYUDHWBXSA-N 321.381 -0.039 30 20 DBED C=CCO[C@H](C)C(=O)NCC[C@H](C)NC(=O)Cn1cnnn1 1077065913 BJFJGKODIJTGKY-WDEREUQCSA-N 310.358 -0.725 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2cc(O)nc(C3CC3)c2)C1 1077118335 PCWYNFOPJKWFGP-CHWSQXEVSA-N 302.334 -0.037 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3nnnn3CC2)C1 1077706266 CAJRIYNHVGCKFE-JHJVBQTASA-N 320.397 -0.637 30 20 DBED CCN(C(=O)C[C@@H](C)NC(N)=O)C1CN(C(=O)[C@H](C)C#N)C1 1079780421 HYMVCBPEUFJODO-NXEZZACHSA-N 309.370 -0.348 30 20 DBED CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)c2nnn(C)c2C)C1 1080412013 ZUMRNDLXUMXXHD-VIFPVBQESA-N 304.354 -0.044 30 20 DBED COC[C@@H](C)C(=O)N1CCC(CO)(NC(=O)[C@@H](C)C#N)CC1 1080980653 ZTXHULJNATXVEG-NWDGAFQWSA-N 311.382 -0.102 30 20 DBED COC[C@@H](C)C(=O)N1CCC(CO)(NC(=O)[C@H](C)C#N)CC1 1080980655 ZTXHULJNATXVEG-VXGBXAGGSA-N 311.382 -0.102 30 20 DBED C[C@H](C#N)C(=O)NC1(CO)CCN(C(=O)Cc2cnc[nH]2)CC1 1080981583 HRKLVDADOGWUBM-LLVKDONJSA-N 319.365 -0.418 30 20 DBED C[C@H](C#N)C(=O)NC1(CO)CCN(C(=O)c2cc[nH]n2)CC1 1080982040 RNOAIKZNBJZRED-SNVBAGLBSA-N 305.338 -0.347 30 20 DBED C#CCOCCC(=O)N1C[C@H](O)[C@H](CNC(=O)C(C)(F)F)C1 1081186108 KTODLQCCCJPIBI-MNOVXSKESA-N 318.320 -0.383 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(C(=O)c2cccnn2)C[C@@H]1O 1081471449 NPOWYUYRYINJBE-OCCSQVGLSA-N 314.345 -0.561 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(C(=O)c2ccon2)C[C@@H]1O 1081488027 CENQGLGNTNNSKX-YPMHNXCESA-N 321.333 -0.736 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)Cn2cncn2)C1 1081787378 FOXZDRSLUVLUIS-NWDGAFQWSA-N 307.354 -0.820 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CCCCN1C(=O)c1nc[nH]n1 1082215516 FFMSHBITZLLMJM-LBPRGKRZSA-N 319.365 -0.045 30 20 DBED C[C@@H](C#N)C(=O)N1CCCC[C@H]1CNC(=O)Cn1cnnn1 1082267104 HVUXEJSIGWNFLU-QWRGUYRKSA-N 305.342 -0.670 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CCCNC1=O 1083111962 GDMDWVORLZKDQX-HZSPNIEDSA-N 305.378 -0.553 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)Cn1c(C)csc1=O 1083272482 QETSKDFUVYCZJO-QWHCGFSZSA-N 321.402 -0.237 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)c2cccc(C(=O)NC)n2)C1 1084009076 BBMNKEZVOKZYOW-OLZOCXBDSA-N 304.350 -0.598 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2ccc(=O)n(CCCC)n2)C1 1084046728 GRDRVIWACCRFPG-KGLIPLIRSA-N 318.377 -0.549 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CCN(Cc3nc(=O)n(C)[nH]3)C[C@H]21 1084236741 PJDZXBIVRMKQKV-HBNTYKKESA-N 304.354 -0.699 30 20 DBED C[C@H]1CC[C@@H](NC(=O)CNC(N)=O)CN1c1ccnc(C#N)n1 1089109390 HTEQNYVEXRXLKR-VHSXEESVSA-N 317.353 -0.510 30 20 DBED CCN(c1ccnc(C#N)n1)[C@H](C)CNC(=O)[C@H]1CCC(=O)N1 1089620182 MNPGBYHFOOTETE-GHMZBOCLSA-N 316.365 -0.042 30 20 DBED C=C(Cl)CN1CC[C@H](NC(=O)CN2CCOCC2)[C@@H](O)C1 1090203496 HIOUNCOPKPSAOJ-STQMWFEESA-N 317.817 -0.378 30 20 DBED CNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 1092551946 DVQPOXJMBHHWDQ-ZYHUDNBSSA-N 303.366 -0.070 30 20 DBED CC(=O)NCC(=O)NC1[C@H]2CN(c3nc(C)cc(C#N)n3)C[C@H]12 1093214280 CIWCOXMPMBAPQS-RYUDHWBXSA-N 314.349 -0.656 30 20 DBED C[C@@H](C(=O)NCCNc1ccc(C#N)nn1)N1CCOCC1 1093731331 WFBBOAPJMDTAIM-NSHDSACASA-N 304.354 -0.403 30 20 DBED C#CCO[C@@H](C)C(=O)NCCNc1nc(O)c2cnn(C)c2n1 1093878385 NXUACPBNBQJRIL-VIFPVBQESA-N 318.337 -0.365 30 20 DBED C[C@H]1C[C@@H](C(=O)NCCNc2cncc(C#N)n2)CC(=O)N1 1093983378 YFXGFVOFRDIHRY-VHSXEESVSA-N 302.338 -0.209 30 20 DBED CO[C@H](C(=O)NCCN=c1cc[nH]cc1C#N)[C@H]1CCOC1 1094011296 DKCMLFRGEHWZJM-FZMZJTMJSA-N 304.350 -0.045 30 20 DBED CC(=O)N1CC(C(=O)NCCCN=c2cc[nH]cc2C#N)C1 1094409555 BGTVRGXHJKURBW-UHFFFAOYSA-N 301.350 -0.228 30 20 DBED Cc1nonc1CC(=O)NCCCN=c1cc[nH]c(C#N)n1 1094555359 PSOLPIKTQKZMAE-UHFFFAOYSA-N 301.310 -0.378 30 20 DBED COC(=O)NCC(=O)N1CC[C@@H](N=c2cc[nH]cc2C#N)C1 1095019701 DCSGURJFIAGDNF-LLVKDONJSA-N 303.322 -0.256 30 20 DBED CNC(=O)CC(=O)NCC1CCN(c2ccc(C#N)nn2)CC1 1095350631 YLPZFDLGSOAZPV-UHFFFAOYSA-N 316.365 -0.183 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H]1CCN(c2ccc3nnnn3n2)C1 1096441896 KNGXDKWXZUHBIL-MNOVXSKESA-N 315.337 -0.748 30 20 DBED CCNC(=O)CC(=O)N[C@H]1C[C@H](N=c2cc[nH]cc2C#N)C1 1097023316 OBOQQCMAZAONAV-HAQNSBGRSA-N 301.350 -0.040 30 20 DBED CS(=O)(=O)CCC(=O)N[C@H]1C[C@H](Nc2nccnc2C#N)C1 1097113118 HLWRNAHXUULQFG-MGCOHNPYSA-N 323.378 -0.158 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)c2cscn2)[C@@H](O)C1 1099716632 YJDYNSOIEMDBDJ-JQWIXIFHSA-N 322.390 -0.943 30 20 DBED C=CCOCCCC(=O)N[C@@H]1CCN(CCCO)C[C@H]1O 1099766813 QNERAELNCGDJIB-ZIAGYGMSSA-N 300.399 -0.097 30 20 DBED CC#CCN1CC[C@H](NC(=O)CCCCNC(N)=O)[C@@H](O)C1 1099909319 QXLVRERFYTYRNH-STQMWFEESA-N 310.398 -0.600 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)C2(C)CC=CC2)[C@H](O)C1 1099979612 XRLCPPZFJPNSHF-UONOGXRCSA-N 319.405 -0.357 30 20 DBED C=CCCOCC(=O)N[C@H]1CCN(Cc2ncnn2C)C[C@@H]1O 1100139288 OPALQFDHEZMTHN-STQMWFEESA-N 323.397 -0.541 30 20 DBED CN(CCNC(=O)[C@@H]1CC(=O)NC(=O)N1)c1ccncc1C#N 1100348549 SUHJMXAEEQMNCJ-JTQLQIEISA-N 316.321 -0.896 30 20 DBED CN(CCNC(=O)CN1CCCNC1=O)c1ccc(C#N)cn1 1100409254 FNJJYYTTWZAUBQ-UHFFFAOYSA-N 316.365 -0.079 30 20 DBED CCN(CCNC(=O)CNC(=O)C1CC1)c1ccnc(C#N)n1 1100456637 UVDDISUBFWBJAY-UHFFFAOYSA-N 316.365 -0.183 30 20 DBED N#CCNC1CC(CNC(=O)CCc2nnc(O)nc2O)C1 1100476534 SMEJYTIXMCAKCR-UHFFFAOYSA-N 306.326 -0.777 30 20 DBED C#CCCNC1CC(CNC(=O)[C@H](CCC)S(N)(=O)=O)C1 1100535937 BXTAXOSIXMDPQQ-BPCQOVAHSA-N 315.439 -0.049 30 20 DBED CN(CCNc1ccc(C#N)nn1)C(=O)C[C@H]1CCC(=O)N1 1101678142 HLMKDHRDSUTFAJ-SNVBAGLBSA-N 302.338 -0.113 30 20 DBED N#Cc1ccc(N2CCC[C@@H](CCNC(=O)C(N)=O)C2)nn1 1102942574 ZCMGXQXNLVTJPB-JTQLQIEISA-N 302.338 -0.444 30 20 DBED C[C@@H](CNc1cnc(C#N)cn1)N(C)C(=O)[C@@H]1CN(C)CCO1 1104537756 IJLKCMXAYONXPI-AAEUAGOBSA-N 318.381 -0.062 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)[C@H]1CCC(=O)NC1 1104868141 SHLOLLHBNKBJNQ-MNOVXSKESA-N 316.365 -0.445 30 20 DBED CCC(=O)NCC(=O)NC[C@@H](N=c1cc[nH]c(C#N)n1)C(C)C 1105138623 YJUCMDBCWNOWPT-LLVKDONJSA-N 318.381 -0.151 30 20 DBED CC#CCNCc1cn(C2CN(C(=O)Cc3cc[nH]n3)C2)nn1 1105200122 ZHZMJGDWRPYDTJ-UHFFFAOYSA-N 313.365 -0.260 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H](O)CNc1nc(C)cc(C)n1 1105791844 HKCRUMXHBFKVAV-GFCCVEGCSA-N 319.365 -0.878 30 20 DBED CCOCCOCC(=O)NC[C@H](O)CNc1ncccc1C#N 1105870806 AMMCKEHYBBJFHN-ZDUSSCGKSA-N 322.365 -0.105 30 20 DBED N#Cc1cnc(NC[C@H](O)CNC(=O)Cc2ncc[nH]2)cn1 1105938494 XQWILLCNQBNIAY-JTQLQIEISA-N 301.310 -0.797 30 20 DBED CCOCCNC(=O)CNC[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1C 1105946033 JMEYMFGVJYJWJM-BFHYXJOUSA-N 324.425 -0.017 30 20 DBED Cc1conc1C(=O)NC[C@H](O)CNc1nccnc1C#N 1105956321 YIGYZCDNOGXNIV-SECBINFHSA-N 302.294 -0.153 30 20 DBED C#CCOCCC(=O)NC[C@@H](O)CNc1nccnc1C#N 1105965940 JHPFRRYYFMISIJ-LLVKDONJSA-N 303.322 -0.723 30 20 DBED Cc1nc(O)[nH]c1C(=O)NC[C@H](O)CNc1ccc(C#N)nn1 1106001195 RAEAXDMLHPBYHO-SECBINFHSA-N 317.309 -0.712 30 20 DBED C[C@@H]1CN(C(=O)c2cc[nH]c2)C[C@H]1CNCC(=O)NCC#N 1106163093 MVKVUHDRSXFFJT-DGCLKSJQSA-N 303.366 -0.048 30 20 DBED C=CCNC[C@@H]1CN(C(=O)[C@H]2CCN(C)S2(=O)=O)C[C@H]1C 1106752014 OBNYDTFYGYBXSR-JHJVBQTASA-N 315.439 -0.110 30 20 DBED CCN1CCO[C@H](C(=O)N[C@H](C)CNc2nccnc2C#N)C1 1107776216 VPZPHVDIOWJNAY-YPMHNXCESA-N 318.381 -0.014 30 20 DBED CC#CCN1CCO[C@](C)(CNC(=O)[C@@H]2CCNC(=O)C2)C1 1107864226 PKTROKILSYGPIN-CZUORRHYSA-N 307.394 -0.257 30 20 DBED C[C@H](CN=c1cc[nH]cc1C#N)NC(=O)[C@@H]1CCC(=O)NC1 1108204174 SURDOVXNBWZBNG-GHMZBOCLSA-N 301.350 -0.182 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)c2nc3ncccn3n2)C1 1108294111 UXSJUVPHPWSDDB-OAHLLOKOSA-N 314.349 -0.422 30 20 DBED CNC(=O)C1(C(=O)N[C@@H](C)CN(C)c2ccc(C#N)nn2)CC1 1109018234 LUGLAOGGAHAQPE-JTQLQIEISA-N 316.365 -0.185 30 20 DBED CN(C)S(=O)(=O)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC#N 1110138317 NDTYVNXCYKLJRY-WOPDTQHZSA-N 314.411 -0.487 30 20 DBED COC[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1110380323 RMCPQVINHBLCFP-LOWDOPEQSA-N 308.382 -0.370 30 20 DBED C[C@@]1(NC(=O)CS(C)(=O)=O)CCN(c2cnc(C#N)cn2)C1 1110719793 ZNNWAOYYOKEGKV-CYBMUJFWSA-N 323.378 -0.522 30 20 DBED CNC(=O)NCC(=O)N[C@]1(C)CCN(c2nccnc2C#N)C1 1110822292 HBJQMGUIMVALOC-CQSZACIVSA-N 317.353 -0.638 30 20 DBED C#CCCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H](C)NS(C)(=O)=O 1111067821 PAIURJGCYSQDLT-LPWJVIDDSA-N 313.423 -0.331 30 20 DBED Cc1nc[nH]c1C(=O)N(CCO)CCNc1cncc(C#N)n1 1111487960 QRSAQPYHUKDZTP-UHFFFAOYSA-N 315.337 -0.074 30 20 DBED COCCC(=O)NC[C@H]1COCCN1c1nccnc1C#N 1111649690 RYJKNSGDTGXVAI-NSHDSACASA-N 305.338 -0.294 30 20 DBED C[C@H](NC(N)=O)C(=O)NCC1(Nc2cncc(C#N)n2)CCC1 1111786255 GYHMMIHRCCDALP-VIFPVBQESA-N 317.353 -0.144 30 20 DBED CC(=O)NCC(=O)N1CCO[C@@H](CN=c2cc[nH]cc2C#N)C1 1111929718 QEXGQQGZAHBCIL-ZDUSSCGKSA-N 317.349 -0.849 30 20 DBED N#Cc1c(F)cccc1N1C[C@@H](O)[C@@H](CNC(=O)C(N)=O)C1 1112751207 MICOSPUOJMTQNT-QPUJVOFHSA-N 306.297 -0.904 30 20 DBED CCc1nc(C#N)cc(N(C)[C@@H](C)CNC(=O)CNC(C)=O)n1 1113479007 OLSYVMMCBIOIIJ-JTQLQIEISA-N 318.381 -0.012 30 20 DBED CC(=O)N[C@@H](C)C(=O)NC[C@H](C)N(C)c1cnc(C#N)cn1 1113508725 MIQCTPLTFCDMMQ-UWVGGRQHSA-N 304.354 -0.186 30 20 DBED C[C@@H](CNC(=O)c1ncn(C)n1)N(C)c1ccnc(C#N)n1 1113582831 QFQMMDLSTBFTLC-VIFPVBQESA-N 300.326 -0.269 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1[C@@H]2CN(CC(=O)Nc3ccon3)C[C@@H]21 1114070452 ZIOBDFZCGYYONH-DNJQJEMRSA-N 303.322 -0.181 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3cc[nH]c3C)[C@H]2C1 1114109280 TUWHQMANUUGNHX-STQMWFEESA-N 300.362 -0.267 30 20 DBED Cc1nscc1C(=O)NC1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]12 1114146802 IRIIXKDJKJYANH-NXEZZACHSA-N 319.390 -0.249 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)[C@H]3C[C@H]3C(=O)N(C)C)[C@@H]2C1 1114835969 VDJOOSYNOCXHBM-REWJHTLYSA-N 319.405 -0.593 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)CN(C)CCC)[C@@H]2C1 1115161904 PBDUFIBMHJOFOU-BFHYXJOUSA-N 320.437 -0.488 30 20 DBED C=CCn1cc(CNC(=O)[C@H]2CCc3nnnn3CC2)nn1 1118318535 ARGLEKBUJWPFAN-JTQLQIEISA-N 302.342 -0.281 30 20 DBED C=CCN(C(=O)C(=O)N1CC[C@](C)(C(N)=O)C1)[C@H](C)COC 1118532169 VOBHBZMWPXCJCV-ABAIWWIYSA-N 311.382 -0.240 30 20 DBED C=CCNC(=O)Cn1nnnc1N1CC[S@](=O)C[C@H](C)C1 1120156233 MSWYTKRKHRGVTL-UZJPJQLHSA-N 312.399 -0.820 30 20 DBED C#CCNC(=O)C1CCN(c2nnnn2[C@H]2CO[C@H](C)C2)CC1 1120160346 QUQVLTFCORAKTN-DGCLKSJQSA-N 318.381 -0.011 30 20 DBED COCCO[C@@H](C)C(=O)NC[C@@H](CO)N=c1cc[nH]cc1C#N 1122012378 JSUVKMHHIIWKKQ-AAEUAGOBSA-N 322.365 -0.684 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)CO[C@H]2CCOC2)nc1 1122072853 YUKCMROPSXHASX-STQMWFEESA-N 320.349 -0.352 30 20 DBED Cc1ncc(CC(=O)NC[C@@H](CO)Nc2cncc(C#N)n2)o1 1122189149 CQVAXXNTKNRNFT-NSHDSACASA-N 316.321 -0.224 30 20 DBED Cc1cc(C#N)nc(N[C@H](CO)CNC(=O)c2cncn2C)n1 1122218495 HECLOLJJRGBHJA-NSHDSACASA-N 315.337 -0.407 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)[C@@H]2[C@H]3COC[C@H]32)cn1 1122371573 CTFAXNXFXKYDPV-IGQOVBAYSA-N 302.334 -0.265 30 20 DBED CCNC(=O)CC(=O)N1CC[C@@H](N=c2cc[nH]c(C#N)n2)[C@@H]1C 1122995563 BMEMBSJIYCGEQI-WDEREUQCSA-N 316.365 -0.302 30 20 DBED C[C@H]1[C@H](NC(=O)CNC(N)=O)CCCN1c1cncc(C#N)n1 1123512884 HNWFGYGFMGILHH-GXSJLCMTSA-N 317.353 -0.510 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)[C@@H](C)OCC 1123962158 CNYZVHLHCUMVIR-SNVBAGLBSA-N 300.359 -0.871 30 20 DBED CN(C[C@@H](O)CN(C)c1cnc(C#N)cn1)C(=O)[C@H]1CCCO1 1124940040 NCKMMBVZTRJAOI-QWHCGFSZSA-N 319.365 -0.217 30 20 DBED CC(C)N(CCN(C)c1nccnc1C#N)C(=O)CNC(N)=O 1125435796 RTWWYPSAHAHBME-UHFFFAOYSA-N 319.369 -0.310 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)c1cc(=O)n(C)o1 1126302132 VFNVOZPNHCXKCS-UHFFFAOYSA-N 323.353 -0.940 30 20 DBED CC(C)(C(=O)NCCNCC(=O)NCC#N)[C@@H]1CCCCO1 1127524514 NXIYIZYQMIVXNI-LBPRGKRZSA-N 310.398 -0.073 30 20 DBED CCOCC(=O)N1CCC[C@@H](N2CCN(CC#N)CC2=O)C1 1131706822 NVSZLUOIFNOHGS-CYBMUJFWSA-N 308.382 -0.318 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)CC(C)(C)O)CC[C@H]1C 1132009605 NOLCAVGCKZBKPB-OLZOCXBDSA-N 309.410 -0.134 30 20 DBED C#CCCN1C[C@H](NC(=O)CS(=O)(=O)N(C)C)CC[C@@H]1C 1132453398 OHEWBBGBYBYZPL-QWHCGFSZSA-N 315.439 -0.130 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1ccnc(C2CC2)n1 1134622025 AROSOQSMKGVCJD-UHFFFAOYSA-N 301.350 -0.577 30 20 DBED C=CCn1cc(C(=O)NCCNCC(=O)NCCCC)nn1 1134970306 RKWFQSGZUMOJKT-UHFFFAOYSA-N 308.386 -0.300 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1cnc(C)nc1C 1135490318 GRPQPYMLQNZGAC-NSHDSACASA-N 303.366 -0.449 30 20 DBED C[C@@H](C[C@@H](C)NCC#N)NC(=O)c1cc(=O)n2[nH]cnc2n1 1135924633 UMKLVIHNYHJQKB-BDAKNGLRSA-N 303.326 -0.572 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)c1nonc1C 1146746667 SOKQORRVSWWSLL-NXEZZACHSA-N 307.354 -0.386 30 20 DBED C[C@H]1C[C@@H](C(=O)N2CC3(CCN(CC(=O)NCC#N)C3)C2)CO1 1147812792 WUXMYZXYBVQWTL-QWHCGFSZSA-N 320.393 -0.415 30 20 DBED N#CCN1CCC2(C1)CN(C(=O)CCNC(=O)[C@@H]1CCCO1)C2 1148910880 VNISRYSFZMZQNF-ZDUSSCGKSA-N 320.393 -0.270 30 20 DBED C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CN(CC#N)CCCO2)C1 1150572901 WXEVXVSUFROMSX-CHWSQXEVSA-N 308.382 -0.415 30 20 DBED C#CCNC(=O)CNCCNC(=O)CCCc1nc(CC)no1 1150962451 COTLBPBLLNQFKW-UHFFFAOYSA-N 321.381 -0.590 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)CCOCCOC 1153224861 FCRUAUXGMWRECE-GFCCVEGCSA-N 301.387 -0.564 30 20 DBED Cn1ncc(C(=O)NCCNCC(=O)NCC#N)c1C1CC1 1153539301 VKAOZCCWXPBVBC-UHFFFAOYSA-N 304.354 -0.743 30 20 DBED C=CCCn1cc(C(=O)NC[C@@H](C)N(CC)CC(N)=O)nn1 1155735530 KSRMEBPQKUACSL-LLVKDONJSA-N 308.386 -0.220 30 20 DBED CCN(CCC#N)C(=O)CNCCCNC(=O)[C@H]1CCCN1C 1155791267 UXNYFABCTFAMOS-CQSZACIVSA-N 323.441 -0.061 30 20 DBED C=CCNC(=O)CNCCCNC(=O)C[C@H]1CCC(=O)N1C 1163795548 DDUUKNLJIHMDMA-GFCCVEGCSA-N 310.398 -0.605 30 20 DBED C=C[C@H](C)[C@@H](C)C(=O)NCCCNCC(=O)N1CCNC(=O)C1 1164223997 ZAXQFSVSBUNMRY-QWHCGFSZSA-N 324.425 -0.501 30 20 DBED CC#CCNCCCC[C@@H](C)NC(=O)CS(=O)(=O)NC 1176638913 JXGJJIGLQPATGG-GFCCVEGCSA-N 303.428 -0.177 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)c2n[nH]cc2F)[C@H]1C 1179486074 HAVFGVXCBMHLAY-SCVCMEIPSA-N 321.356 -0.121 30 20 DBED COCC(=O)NCCC(=O)N1C[C@@H](C)[C@](C)(CNCC#N)C1 1181657712 AUYOGLCTKDSEJU-IUODEOHRSA-N 310.398 -0.263 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)c2nnn(C)c2C)C1 1181801408 AHMYPIWZVBQJFJ-LLVKDONJSA-N 306.370 -0.770 30 20 DBED CO[C@@H](C)CCC(=O)N1CC[C@H]2CN(CC(=O)NCC#N)C[C@H]21 1187613266 FPXICHHLQUGJRL-MELADBBJSA-N 322.409 -0.026 30 20 DBED C=CCN1CC[C@@H](N[C@@H]2CCN(C(=O)CCNC(N)=O)C2)C1=O 1187704862 ZMTCSWCFWSMPCX-VXGBXAGGSA-N 323.397 -0.978 30 20 DBED N#CCNC(=O)CN1C[C@@H]2CCN(C(=O)[C@H]3CC3(F)F)[C@@H]2C1 1187772473 XJCVXQKYYZSWLT-HBNTYKKESA-N 312.320 -0.186 30 20 DBED Cc1nc(C(=O)N2CC[C@@H](N(C)CC(=O)NCC#N)C2)co1 1189810701 ZIZDRMGFJWBQSX-LLVKDONJSA-N 305.338 -0.231 30 20 DBED CC(C)C#CC(=O)N1CC[C@@H](N(C)CCN2C(=O)CNC2=O)C1 1190052984 BRCGBVAVZCRLDB-CYBMUJFWSA-N 320.393 -0.270 30 20 DBED CN(C)S(=O)(=O)CCC(=O)N1CC[C@H]2CN(CC#N)C[C@H]21 1190311481 DULPXKYYCRSYRR-NWDGAFQWSA-N 314.411 -0.676 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2ccc(C)o2)C1 1190785644 FNKDUCYUROUJCW-VXGBXAGGSA-N 305.334 -0.888 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)N1CC[C@H](N(C)CC(N)=O)C1 1192687346 FJFVCVDPMMVOSV-STQMWFEESA-N 310.398 -0.525 30 20 DBED CO[C@H]1CCC[C@@H]1C(=O)N1CCCN(CC(=O)NCC#N)CC1 1196339760 CXPFXNIOKYSJDD-KBPBESRZSA-N 322.409 -0.024 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)Cc2ccc[nH]2)C1 1198864229 WBQRJODNNHFXJI-MRVWCRGKSA-N 320.393 -0.591 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)CCCO1 1200582814 MHQUYORBFNDMMX-CYBMUJFWSA-N 314.407 -0.739 30 20 DBED C=C(C)CNC[C@H]1CN(C(=O)[C@@H]2CN(C)C(=O)N2)CCCO1 1201154053 BXXOOPDZGMVAFT-STQMWFEESA-N 310.398 -0.207 30 20 DBED N#CCNC(=O)CNC1CCN(C(=O)c2ncccn2)CC1 1203022834 POTNSLSQSSRFPO-UHFFFAOYSA-N 302.338 -0.689 30 20 DBED C=CCN[C@H]1C[C@H](NC(=O)CNC(=O)CNC(C)=O)C12CCC2 1203095873 VBWBLIFXTDRIEH-STQMWFEESA-N 322.409 -0.558 30 20 DBED CN(C)CCCCC(=O)N1CCC(NCC(=O)NCC#N)CC1 1203414966 SDVLACWQXHOKPA-UHFFFAOYSA-N 323.441 -0.061 30 20 DBED COCC[C@H](C)C(=O)N1CCC(NCC(=O)NCC#N)CC1 1203780804 IPZYEBMCIBDDIB-LBPRGKRZSA-N 310.398 -0.121 30 20 DBED COCC#CCNC1CCN(C(=O)C[C@H]2CC(=O)NC2=O)CC1 1204157709 XXTIYCWUVJZTCJ-GFCCVEGCSA-N 321.377 -0.730 30 20 DBED CN1CCC[C@H]1C(=O)N1CCC(CNCC(=O)NCC#N)CC1 1204798400 IOVHBUVVJVIHAY-AWEZNQCLSA-N 321.425 -0.451 30 20 DBED CC#CCNCC1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 1206420183 LOTVRAMZRILYEQ-LBPRGKRZSA-N 306.366 -0.564 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(CCN2C(=O)CNC2=O)C[C@H]1C 1206619745 FXZJLNLTXYKFEE-VXGBXAGGSA-N 324.381 -0.823 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(CC(=O)NCC=C)C[C@H]1C 1206958790 GGLLVRCKPKPALB-ZIAGYGMSSA-N 307.394 -0.235 30 20 DBED C=CCNC(=O)[C@H](C)N[C@H]1CCCN(C(=O)c2cn(C)nn2)C1 1207974678 JCGKOHVGOQBJBC-RYUDHWBXSA-N 320.397 -0.300 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CN(CCOCCO)C[C@H]2C)nn1 1209253493 HWIQKLHJBUPQFS-CHWSQXEVSA-N 323.397 -0.477 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC[C@H](NCC(=O)NC)C1 1209964167 OJMFPXDEACDDEW-UONOGXRCSA-N 324.425 -0.216 30 20 DBED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)c1ccc(C)o1 1211797963 RSRCVFDJTLEUEL-DGCLKSJQSA-N 320.349 -0.343 30 20 DBED C#CCCCC(=O)N[C@@H]1CN([C@H](C)C(=O)NCC#C)C[C@H]1OC 1212185224 PPELSUBZFIEDQT-RBSFLKMASA-N 319.405 -0.257 30 20 DBED CO[C@@H]1CN(CCn2cncn2)C[C@H]1NC(=O)C#CC1CC1 1212250581 BQGSDVMIADNONB-ZIAGYGMSSA-N 303.366 -0.493 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)COCc1ccnn1C 1212452623 FMLVGCDSWUBNSX-CHWSQXEVSA-N 307.354 -0.724 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)c2nccn2CC)C[C@H]1C 1214521077 WJZXLRUKGLCJEK-CHWSQXEVSA-N 317.393 -0.298 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)c2cnc(O)n2C)C[C@H]1C 1215309747 SHEAZUFTDLDRLU-GHMZBOCLSA-N 321.381 -0.522 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)C[C@@H]2CCC(=O)N2)C[C@H]1C 1215878092 FIZZCSZKZODMKK-FRRDWIJNSA-N 322.409 -0.606 30 20 DBED C#CCCCC(=O)N1CCO[C@@H]2CN([C@@H](CC)C(N)=O)C[C@@H]21 1217763765 LBSFMBLHARCVDF-MELADBBJSA-N 307.394 -0.035 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CNC(=O)[C@@H](C)CC 1219036063 IFCWGRFLNRWVKL-MELADBBJSA-N 307.394 -0.307 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2c(C)ccn2C)C1 1219523755 NEXRRFSOPSNAJE-OLZOCXBDSA-N 320.393 -0.589 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(Cc2nnnn2C(C)C)C[C@@H]1O 1219532097 IWRJISCOCPVFAO-OLZOCXBDSA-N 320.397 -0.281 30 20 DBED C#CCCOc1ccc(C(=O)N[C@@H]2CN(CCO)C[C@@H]2O)cc1 1219609250 IVQAEFMCIVGUSI-CVEARBPZSA-N 318.373 -0.144 30 20 DBED C=CCOCCN1CC[C@@H]2CN(C(=O)C3(C(N)=O)CC3)[C@@H]2C1 1221779911 SFRGOMYNJWFJLH-CHWSQXEVSA-N 307.394 -0.013 30 20 DBED COCC#CCN1CC[C@@H]2CCN(C(=O)c3nnn(C)n3)C[C@@H]21 1223278148 QHJVKOLEHVIWSK-OLZOCXBDSA-N 318.381 -0.604 30 20 DBED C=CCN1CCC(CNC(=O)C[C@H](NC(C)=O)C(N)=O)CC1 1224753331 HYIQTARCIMKIKQ-ZDUSSCGKSA-N 310.398 -0.619 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cnns1 1225049206 IITBSCQZRYCNBX-GHMZBOCLSA-N 321.406 -0.082 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC(NC(=O)[C@@H](C)NC(C)=O)CC1 1225964273 OFCXBPJIZOGMPW-NEPJUHHUSA-N 322.409 -0.771 30 20 DBED C#CCN1CCS(=O)(=O)[C@H](CCNC(=O)c2cc(C)[nH]n2)C1 1230425107 BPCDHFIHIKYNQV-GFCCVEGCSA-N 324.406 -0.430 30 20 DBED COCC#CCN1CC[C@H]1CN(C)C(=O)CN1CCCC1=O 1230753788 ZUAKMVYCPWQYDX-AWEZNQCLSA-N 307.394 -0.209 30 20 DBED C#CCNC(=O)CN(C)CCCNC(=O)c1cc(C)nn1C 1234585668 KTSZKKVMYWRBKX-UHFFFAOYSA-N 305.382 -0.470 30 20 DBED COCC#CC(=O)Nc1ccc2c(c1)N(S(N)(=O)=O)CC2 1261666866 CZTRIRRANXVYHT-UHFFFAOYSA-N 309.347 -0.159 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)Nc1cccnc1-n1cncn1 1320427072 BIRGORCJUNZZFO-JTQLQIEISA-N 316.321 -0.082 30 20 DBED C[C@H](NC(=O)C(=O)N1CC[C@](O)(CC#N)C1)C1=CCN(C)CC1 1326436421 BWKOWLSFMKCPNA-BLLLJJGKSA-N 320.393 -0.370 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCC(n2ccnc2)CC1 1326804666 UTWHRSSVIYDBSY-UHFFFAOYSA-N 304.350 -0.187 30 20 DBED N#Cc1cccc(NC(=O)C(=O)NCC[C@@]2(O)CCCOC2)n1 1327324506 NVDHMABHBMVTJZ-HNNXBMFYSA-N 318.333 -0.060 30 20 DBED CC(=O)N1CC[C@@H](NC(=O)C(=O)N2CCC[C@](C)(C#N)C2)C1 1328627680 SCRZIUCSBDTFMN-IUODEOHRSA-N 306.366 -0.124 30 20 DBED C#CCN1CCC[C@@H](NC(=O)N2CC[C@@H](S(N)(=O)=O)C2)C1 1332031882 GJOJSZUGHZILPX-VXGBXAGGSA-N 314.411 -0.844 30 20 DBED C=CCOC[C@@H]1NC(=O)N(CCOCCS(C)(=O)=O)C1=O 1332863404 VOIIEDIYMJIMOE-JTQLQIEISA-N 320.367 -0.829 30 20 DBED CCCNCCNC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1333615295 RWVTTYDQNKLRTD-CYBMUJFWSA-N 307.398 -0.699 30 20 DBED C=C(C)CCn1nnnc1N1CCC(C(=O)NCCO)CC1 1335745277 XIXHQGVGHMIERL-UHFFFAOYSA-N 308.386 -0.036 30 20 DBED C#CCn1ccc(CN(CC)c2[nH]c(=O)n(C)c(=O)c2C#N)n1 1337962339 NKBOSMXHGBUCCS-UHFFFAOYSA-N 312.333 -0.199 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N(C)C[C@H]1CCN(C(C)=O)C1 1343081457 UKBRLRFMUJVOKE-CHWSQXEVSA-N 311.382 -0.370 30 20 DBED N#Cc1cn(CCNC(=O)[C@H](O)C2CCCCC2)c(=O)nc1O 1362690520 UUYIDMMJICSEJC-GFCCVEGCSA-N 320.349 -0.122 30 20 DBED COCC[C@H]1COCCN1C(=O)Cn1cc(C#N)c(O)nc1=O 1362747818 GKOYCOOVLHALOW-NSHDSACASA-N 322.321 -0.916 30 20 DBED COC(=O)[C@H]1CC12CCN(c1[nH]c(=O)n(C)c(=O)c1C#N)CC2 1363148475 IPCPEUHISKAJLM-SNVBAGLBSA-N 318.333 -0.275 30 20 DBED CCOC(=O)N[C@H]1CCCN(c2[nH]c(=O)n(C)c(=O)c2C#N)C1 1364127108 FLFWSRJBTZQUNG-VIFPVBQESA-N 321.337 -0.340 30 20 DBED N#Cc1cc(NC(=O)NC[C@@]2(O)CCS(=O)(=O)C2)ccn1 1364146045 LWEGEIOQNFPEDV-LBPRGKRZSA-N 310.335 -0.376 30 20 DBED CC(C)CCNC(=O)[C@H](C)N1CC(O)(CNC(=O)[C@@H](C)C#N)C1 1368288599 LJVOVJVCPAGIJG-STQMWFEESA-N 324.425 -0.140 30 20 DBED CNC(=O)Cc1noc(CN(C)CCNC(=O)[C@@H](C)C#N)n1 1371933255 JEXMYEQVQNYFKS-VIFPVBQESA-N 308.342 -0.934 30 20 DBED Cc1cc(C)n(CC(=O)N(C)CCNC(=O)[C@H](C)C#N)c(=O)n1 1373649944 PWFZGWYMXNWCDE-SNVBAGLBSA-N 319.365 -0.406 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](C)NC(=O)CCC(=O)N1CCOCC1 1377350000 KAFQQVNZERCXNS-NWDGAFQWSA-N 324.381 -0.594 30 20 DBED N#Cc1cc(C(=O)N2CC(CNC(=O)CCCC(N)=O)C2)c[nH]1 1389793610 LYZMEYOSVAIQNG-UHFFFAOYSA-N 317.349 -0.270 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)c2cnc3[nH]nnc3c2)CC1 1389873190 TXMLPCFYWRQKRF-QMMMGPOBSA-N 313.321 -0.109 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)Cn2cncn2)CCCC1 1399148365 IOEMPVICKQHMAQ-NSHDSACASA-N 304.354 -0.017 30 20 DBED CCN(C(=O)Cn1cncc(C#N)c1=O)[C@H]1CCS(=O)(=O)C1 1412926388 FVPAMCUOPQZDMW-NSHDSACASA-N 324.362 -0.849 30 20 DBED CN(C)S(=O)(=O)CCCS(=O)(=O)NCC1(C#N)CCC1 1413379511 WCGGBROFOAVMCY-UHFFFAOYSA-N 323.440 -0.119 30 20 DBED C[C@H](C#N)C(=O)NC1CN(C(=O)c2ccoc2CC(N)=O)C1 1416045776 HWOIVEWBFJSGST-MRVPVSSYSA-N 304.306 -0.592 30 20 DBED CCOC[C@H]1CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)C1 1417664253 PUWYXSACYJLMHX-JTQLQIEISA-N 306.322 -0.294 30 20 DBED CCS(=O)(=O)NCCN(C)CCN(C)C(=O)[C@@H](C)C#N 1422150594 DTPXGGYTIMYSKE-NSHDSACASA-N 304.416 -0.524 30 20 DBED C[C@@H](CC(=O)NCCn1cc(C#N)c(O)nc1=O)n1ccnc1 1434206591 HNKSWYYITBNTLK-JTQLQIEISA-N 316.321 -0.215 30 20 DBED CN(C)C[C@H]1CCCCN1C(=O)Cn1cc(C#N)c(O)nc1=O 1443199818 GWBBZXHCXLSSKT-GFCCVEGCSA-N 319.365 -0.237 30 20 DBED COC(=O)CCN(CC#N)C(=O)c1ccc(-c2nn[nH]n2)cn1 1454938724 MNFQMNBYQJPJPY-UHFFFAOYSA-N 315.293 -0.209 30 20 DBED CCN(CCNC(=O)[C@H]1CCc2nncn2C1)C(=O)[C@@H](C)C#N 1455600044 YCEIBCYCIFHAII-RYUDHWBXSA-N 318.381 -0.035 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CCCN(CC(=O)NCC#N)C1 1479903425 TVIOTCPFCHTGKJ-QWHCGFSZSA-N 306.366 -0.755 30 20 DBED CN(CCNC(=O)c1cc(C#N)c[nH]1)C(=O)[C@@H]1CCC(=O)NC1 1495935217 HMMIPSJWNDKSBA-LLVKDONJSA-N 317.349 -0.399 30 20 DBED CO[C@]1(CO)CCCN(c2cnc(-c3nn[nH]n3)c(C#N)n2)C1 1570918648 RUMSDSROCGYYSU-CYBMUJFWSA-N 316.325 -0.494 30 20 DBED C=CC1(CC(=O)NCCN(C)CCS(C)(=O)=O)CNC1 1574880055 OJBHUYGASJZULK-UHFFFAOYSA-N 303.428 -0.755 30 20 DBED CNC[C@@H](O)[C@@H](C)C(=O)N1CCN(c2ccc(C#N)nc2)CC1 1578641708 XCWXRNJVVMVNNT-IUODEOHRSA-N 317.393 -0.182 30 20 DBED N#Cc1cn(CC(=O)N=c2cc[nH]c3ccncc23)c(=O)nc1O 1587536400 OAOZSAVIAIVUSJ-UHFFFAOYSA-N 322.284 -0.176 30 20 DBED C=C[C@@H]1OCC[C@H]1Cn1nnnc1N1CCO[C@@H](C(=O)O)C1 1588917834 CJQUKPXLWUXVQK-GARJFASQSA-N 309.326 -0.446 30 20 DBED Cc1ccn(CN2CCO[C@@H](C#N)C2)c(=O)c1-c1nn[nH]n1 1592266486 CZWMPQAFGONECO-JTQLQIEISA-N 301.310 -0.481 30 20 DBED COC(=O)CN(CC#N)S(=O)(=O)c1cc(C(=O)O)oc1C 1598861348 VUBHNPPOWGXZKQ-UHFFFAOYSA-N 316.291 -0.027 30 20 DBED N#Cc1ccc(N2C[C@H](C(=O)NC[C@H](O)C(=O)O)CC2=O)cc1 1601105868 KCKXFEHSXXGADV-PWSUYJOCSA-N 317.301 -0.527 30 20 DBED C#CCN(CC(=O)O)C(=O)c1cnc2c(c1)c(O)nc(=O)n2C 1602692517 RWWBQYDYOZLHTL-UHFFFAOYSA-N 316.273 -0.806 30 20 DBED C#CCN(CC#N)S(=O)(=O)c1cncc(-c2nn[nH]n2)c1 1602720477 XENMFRNSGVTTGJ-UHFFFAOYSA-N 303.307 -0.591 30 20 DBED C[C@@H]1C[C@H](C(=O)O)CN(C(=O)NCCn2cnc(C#N)n2)C1 1603362844 MMEMWKVKAHOFKH-ZJUUUORDSA-N 306.326 -0.098 30 20 DBED CCOC(=O)C[C@H](O)Cn1c(C)nc(-c2nn[nH]n2)c1C#N 1604371176 ARTDADZSMKWIRB-QMMMGPOBSA-N 305.298 -0.443 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@@H](NC(=O)c2cnc(C)n2C)C1 1713086125 YQCWLOZLCFWAGN-DGCLKSJQSA-N 317.393 -0.329 30 20 DBED C#CCNC(=O)CNC[C@@H]1CCCN(C(=O)Cc2ncc[nH]2)C1 1752808615 GMDWGGSTZRXLMS-ZDUSSCGKSA-N 317.393 -0.470 30 20 DBED C#CCNC(=O)CN1CCCC[C@@H]1CNC(=O)c1cnsn1 1752817860 QINICMXZNISTNY-LLVKDONJSA-N 321.406 -0.128 30 20 DBED COCC#CCN(C)CCNC(=O)c1ccc(C(N)=O)nc1 1753075449 XXACJVFUEZNBED-UHFFFAOYSA-N 304.350 -0.508 30 20 DBED C#CCNC(=O)CN1CC[C@H](N(CCC)C(=O)c2cnn[nH]2)C1 1753317027 GGXOXBNCHCDWJB-LBPRGKRZSA-N 318.381 -0.519 30 20 DBED C#CCCN1CC[C@@H](N2CCN(C(=O)[C@H](C)NC(C)=O)CC2)C1 1754661322 BVHQUWDTBPAHMF-GOEBONIOSA-N 320.437 -0.247 30 20 DBED C#CCNC(=O)CN1CC(O)(CNC(=O)[C@@H]2C[C@H]2CC(C)C)C1 1754774307 MANZSDWAIWSEPA-ZIAGYGMSSA-N 321.421 -0.419 30 20 DBED C[C@H](NCC#N)[C@@H]1CCN(C(=O)C(C)(C)NS(C)(=O)=O)C1 1754804733 SXGMIVXNPZVHFI-WDEREUQCSA-N 316.427 -0.336 30 20 DBED N#CCNC(=O)CN1CCOC[C@@H]1CNC(=O)c1ccns1 1754968073 WTIAQPOHVNMPRA-JTQLQIEISA-N 323.378 -0.787 30 20 DBED N#CCNC[C@H]1CN(C(=O)[C@H]2CCc3nccn3C2)CCO1 1755004363 GVSMRJGFFNPRJG-STQMWFEESA-N 303.366 -0.214 30 20 DBED CCC[C@H](C(=O)NC1CC(CNCC#N)C1)S(N)(=O)=O 1755214135 JJEHWWPIIWGXEB-VQXHTEKXSA-N 302.400 -0.548 30 20 DBED CN(CC(C)(C)CNCC#N)C(=O)CCNS(C)(=O)=O 1755282589 YMYOMPLFVQPFSZ-UHFFFAOYSA-N 304.416 -0.477 30 20 DBED CN(CC(C)(C)CNCC#N)C(=O)CCn1cc[nH]c(=O)c1=O 1755285441 JPYHHBMOEWUYRP-UHFFFAOYSA-N 321.381 -0.476 30 20 DBED C#CCOCCC(=O)N[C@H](C)C1CN([C@H](C)C(=O)NC(N)=O)C1 1755375292 YDHVCEZEXCKTBA-GHMZBOCLSA-N 324.381 -0.954 30 20 DBED COCC#CCN[C@H](CO)CNC(=O)c1cnoc1C1CC1 1755644044 WEEXMQKRXBUWIM-LBPRGKRZSA-N 307.350 -0.118 30 20 DBED C=C(C)CCN[C@H](CO)CNC(=O)c1cccnc1C(N)=O 1755646660 BDINCOKOSMBKOC-NSHDSACASA-N 306.366 -0.173 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)c2cc[n+]([O-])cc2)[C@@H]1C 1755649723 YLNKFISEVZFQJZ-OCCSQVGLSA-N 318.377 -0.185 30 20 DBED C#CCNC[C@H]1CC[C@H](NC(=O)Cn2nc(C)n(C)c2=O)C1 1755746318 GYSSASCUNHGCKO-STQMWFEESA-N 305.382 -0.602 30 20 DBED CC#CCNC[C@H](O)CN(C)C(=O)c1cnn(CCOC)c1 1755794425 YADSBBFNVGDCTL-AWEZNQCLSA-N 308.382 -0.425 30 20 DBED C[C@@H](NC(=O)Cn1ncnn1)C1CN(C(=O)C#CC2CC2)C1 1756142724 AQKLREVHQWWSJM-SNVBAGLBSA-N 302.338 -0.950 30 20 DBED C#CCOCCC(=O)NCc1cc(O)nc(CNC(=O)CC)n1 1757421783 PZPOQDVZBQQMHU-UHFFFAOYSA-N 320.349 -0.136 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cccn1 1795871266 BVOMZSCAKCOYMF-JJLQDPRZSA-N 302.334 -0.894 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)c2nc[nH]n2)C1 1843188630 ZVZHJHAHPPGAHR-NSHDSACASA-N 317.349 -0.340 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](C)CN 1847803384 YFCGKGQKJANLGU-MQYQWHSLSA-N 307.394 -0.179 30 20 DBED CC(C)[C@](C)(C#N)NC(=O)COC(=O)CN1C(=O)CCC1=O 26139591 SKNRDFWQUKPYPW-AWEZNQCLSA-N 309.322 -0.267 30 20 DBED Cn1c(N2CC[C@H](CN3CCCC3)C2)c(C#N)c(=O)n(C)c1=O 131671051 PBOZIXOMPPRTCC-GFCCVEGCSA-N 317.393 -0.122 30 20 DBED C#CCN1CCN(C(=O)CN(CC)CCS(C)(=O)=O)CC1 154426962 DFBCNGBSMKKKJU-UHFFFAOYSA-N 315.439 -0.870 30 20 DBED C=CCCOCCNC(=O)c1cnc2[nH]c(=O)[nH]c(=O)c2c1 155311031 MTKPCVHBKOYRQC-UHFFFAOYSA-N 304.306 -0.066 30 20 DBED Cc1nc(C(=O)N2CCN(C(=O)[C@H](C)O)CC2)ccc1C#N 179400652 VECDPDFLYFNRLU-NSHDSACASA-N 302.334 -0.073 30 20 DBED N#Cc1ncccc1S(=O)(=O)NCCCN1CCOCC1 236409363 GMUJKKQTHPJNEF-UHFFFAOYSA-N 310.379 -0.046 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(C)CC(C)(C)CO)C1=O 296344757 TWYKDJINIIFCHR-UHFFFAOYSA-N 311.338 -0.560 30 20 DBED N#Cc1ccc(OC[C@H](O)CNCC(=O)N2CCOCC2)cc1 322533436 MWYTVIBHGIOGJR-CQSZACIVSA-N 319.361 -0.254 30 20 DBED CN(CC(=O)N1CCOCC1)/C(O)=N/C[C@@H]1COCCO1 329410540 BNPNRQCUJRABSB-LLVKDONJSA-N 301.343 -0.894 30 20 DBED O=C(N1CCN(C/C(O)=N/C2CC2)CC1)C1(O)CCOCC1 330002454 YTYPNIWVPCYDCR-UHFFFAOYSA-N 311.382 -0.209 30 20 DBED O=S1(=O)CCC[C@@H]1CN/C(O)=N/CCN1CCOCC1 330040888 CFLIZNRHWQIHID-LLVKDONJSA-N 305.400 -0.601 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)N2CCS(=O)(=O)CC2)cc1 330571320 MSCPLVVQIYLDHY-UHFFFAOYSA-N 321.358 -0.455 30 20 DBED CCN(C)C(=O)C/N=C(/O)N1CCN(C(=O)COC)CC1 331056491 PVFIEMNHDAZVGR-UHFFFAOYSA-N 300.359 -0.831 30 20 DBED CN1C[C@@H](/N=C(/O)N2CCC(N(C)CCCO)CC2)CC1=O 331109220 HSNGQPYFRXQTPS-LBPRGKRZSA-N 312.414 -0.090 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N2CCc3ncsc3C2)CCO1 337148878 HOPLJIQTFYKOIZ-SECBINFHSA-N 314.392 -0.030 30 20 DBED CCN(CCC#N)S(=O)(=O)N[C@@H](CO)C1CCOCC1 337164173 XIVYSNYXOCGEGK-LBPRGKRZSA-N 305.400 -0.156 30 20 DBED C=CCCOCCNC(=O)C(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@@H]3O 342012199 BXZQDALRWZIGRO-ODXJTPSBSA-N 308.378 -0.077 30 20 DBED Cc1ccc(C(=O)N(C)CC(N)=O)cc1S(=O)(=O)NCC#N 342845423 YNZTWIMJHLHSFS-UHFFFAOYSA-N 324.362 -0.646 30 20 DBED CN(CC(=O)NCCCO)S(=O)(=O)c1ccc(C#N)cc1 343133914 HQSPONCAPHSIMM-UHFFFAOYSA-N 311.363 -0.323 30 20 DBED C=CCOC[C@H]1NC(=O)N([C@H]2CCCS(=O)(=O)C2)C1=O 348602232 MMYJIDAGWGZJOM-VHSXEESVSA-N 302.352 -0.313 30 20 DBED CN(C)S(=O)(=O)CCNC(=O)CNc1ccc(C#N)cc1 359781020 DDWVDRAXNHBLMJ-UHFFFAOYSA-N 310.379 -0.022 30 20 DBED C=CCNC(=O)NC(=O)CN1CC[C@@H](C)S(=O)(=O)CC1 373779303 GXSWTEMAXDHDPC-SNVBAGLBSA-N 303.384 -0.493 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCN([C@H]2CCOC2)CC1 374446206 HITIYGPJJJMXLZ-STQMWFEESA-N 316.427 -0.271 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N1CCN2C(=O)NC[C@H]2C1 375699566 YISQGJOBXKLGLB-ZJUUUORDSA-N 301.372 -0.825 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N[C@H]2CCCC[C@@H]2CN)nn1 424553055 YSVWDXMKNANCJC-YPMHNXCESA-N 320.397 -0.286 30 20 DBED C=C[C@@H]1OCC[C@H]1NC(=O)Nc1ncn(CC(=O)OCC)n1 425710014 KMEZOJWNSNUCCU-ZJUUUORDSA-N 309.326 0.306 30 20 DBED C#CCN1CCN(C(=O)CN(C)[C@H](C)CS(C)(=O)=O)CC1 490781121 WNZCPLZIRVMDTF-CYBMUJFWSA-N 315.439 -0.871 30 20 DBED C#CCN(CC#CC)C(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 490851901 IRARBZGWZDTQFB-ZDUSSCGKSA-N 311.407 -0.064 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CC23CCOCC3)CC1 491220707 PQKKGGXFKNBZTC-AWEZNQCLSA-N 319.405 -0.303 30 20 DBED C#CCN(C)CCCNC(=O)CS(=O)(=O)N(CC)CC 491762022 YWCRABVLOJQXSD-UHFFFAOYSA-N 303.428 -0.271 30 20 DBED COCC[C@@H](NS(=O)(=O)c1ccc(C#N)cc1F)C(N)=O 539386186 FDNGQIXNMIHCKU-SNVBAGLBSA-N 315.326 -0.134 30 20 DBED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CC[C@H](O)C2)c1 558552198 ANEFHMDNTHTPAY-NSHDSACASA-N 309.347 -0.570 30 20 DBED CN(CCC#N)C[C@H](O)CN[C@H]1CCN(c2cnn(C)c2)C1=O 568975998 ORNQRGWTTPXUAJ-KGLIPLIRSA-N 320.397 -0.679 30 20 DBED CC[C@@H](CNS(C)(=O)=O)NC[C@H](O)CN(C)CCC#N 571633999 GKFWNSGWTMCSAY-RYUDHWBXSA-N 306.432 -0.890 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCCCC(=O)O)C1=O 583440918 DQOMWNBNFPOUPE-JTQLQIEISA-N 311.338 -0.787 30 20 DBED CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H](C#N)CO 597745559 DLSKOWWQHOPLAP-BDAKNGLRSA-N 310.314 -0.172 30 20 DBED COCCN(CC#N)C(=O)[C@H](C)n1cnc2c(N)ncnc21 597754341 BKLGZBKEQPJLQR-VIFPVBQESA-N 303.326 -0.032 30 20 DBED Cn1cc(N2C[C@H](C(=O)N3CCO[C@H](C#N)C3)CC2=O)cn1 599370235 HOQUEQGJIQJIGG-ZYHUDNBSSA-N 303.322 -0.476 30 20 DBED N#Cc1ccc(NC(=O)C(=O)NCCN2CC[C@H](O)C2)cc1F 600097736 FLHAOQBMZSZHGJ-LBPRGKRZSA-N 320.324 -0.181 30 20 DBED Cc1oc(C)c(S(N)(=O)=O)c1C(=O)N1CCO[C@@H](C#N)C1 609268218 GXRHMBWQUXLCTK-VIFPVBQESA-N 313.335 -0.092 30 20 DBED C=CCN1CC[C@@H](N(C)C[C@H](O)CC2(O)CCOCC2)C1=O 639623759 TUMLJXNMSKRDRO-ZIAGYGMSSA-N 312.410 -0.002 30 20 DBED CC#CC[C@H](CO)NC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 649193626 JUDYSMXYWIRZCA-ZZVJUGKHSA-N 316.357 -0.316 30 20 DBED C#Cc1ccc(C(=O)N2CCN(CC(=O)N(C)C)CC2)cn1 728857252 LUACKYVPQHTATM-UHFFFAOYSA-N 300.362 -0.091 30 20 DBED N#Cc1cc(F)c(C(=O)OCC(=O)N2CCNC(=O)C2)c(F)c1 756596940 SFLQELKIMXVQHO-UHFFFAOYSA-N 323.255 -0.048 30 20 DBED CNC(=O)COc1cccc(CC(=O)OCC(=O)NCC#N)c1 772363470 PMMIWLHTVDBTCZ-UHFFFAOYSA-N 319.317 -0.463 30 20 DBED CN1C(=O)CN(NS(=O)(=O)Cc2cccc(C#N)c2)C1=O 782129855 HPSGEYRPZNNKJN-UHFFFAOYSA-N 308.319 -0.213 30 20 DBED C=CCOCCOC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 797323562 KVYQGTUUVQEMNW-UHFFFAOYSA-N 322.321 -0.821 30 20 DBED C#CCC[C@H](O)CNC(=O)C(=O)Nc1ccc(OC)nc1OC 799283509 IKJYSLSECVHNOT-JTQLQIEISA-N 321.333 -0.072 30 20 DBED C#CCCCNC(=O)C(=O)N1CCN(CC(C)(C)O)C[C@H]1C 806913438 WJZOHCKMOURQLP-CYBMUJFWSA-N 309.410 -0.180 30 20 DBED C#CCCS(=O)(=O)NC(=O)[C@H]1CC(=O)N(CC(C)C)C1 810784263 YOFFISKBDIREHD-NSHDSACASA-N 300.380 -0.040 30 20 DBED C[C@](C#N)(CC(=O)O)C(=O)NC[C@@H]1CCC[C@]12NC(=O)NC2=O 819834236 MBOIOWBPAITUDJ-PCTYZZJISA-N 322.321 -0.515 30 20 DBED C=CCNC(=O)COC(=O)CC1CCN(S(C)(=O)=O)CC1 847704248 ROEAOLGFMIWAPU-UHFFFAOYSA-N 318.395 -0.107 30 20 DBED C=CCCONC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 856028290 FOEOXOPAVOQEQX-UHFFFAOYSA-N 307.310 -0.942 30 20 DBED C#CC1(O)CN(C(=O)N[C@@H]2CCCN(CC(F)(F)F)C2=O)C1 893776672 XFMZLFFIQPCLMR-SECBINFHSA-N 319.283 -0.071 30 20 DBED C#CC1(O)CN(S(=O)(=O)[C@H]2CCCC[C@@H]2C(=O)OC)C1 908228609 QBFSAWYMODFZKU-QWRGUYRKSA-N 301.364 -0.272 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CCN(C(=O)[C@@H]3CCNC3=O)C2)c1 939934026 HMZVOKSGQDOQJX-GHMZBOCLSA-N 315.333 -0.647 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CCN(C(=O)[C@H]3CCC(=O)N3)C2)c[nH]1 940095297 OZGJDABRWNWYKI-ZYHUDNBSSA-N 315.333 -0.504 30 20 DBED CC(C)c1nnnn1CC(=O)N[C@@H]1CCN(C(=O)[C@H](C)C#N)C1 940671698 YENCNBJAQMXFHH-GHMZBOCLSA-N 319.369 -0.327 30 20 DBED C[C@@H](C#N)C(=O)N1CCCN(C(=O)CCc2cn(C)nn2)CC1 941517183 JFHSPOWGNLPANQ-LBPRGKRZSA-N 318.381 -0.032 30 20 DBED CO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1NC(=O)Cc1nnc(C)o1 941687967 YSVXVTNGXXZDMG-FBIMIBRVSA-N 321.337 -0.578 30 20 DBED CO[C@H](C)C(=O)N1CCO[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 944535283 QRFHRRWEPOKFPX-ZYHUDNBSSA-N 320.349 -0.122 30 20 DBED Cc1[nH]nc(C(=O)NC[C@@H]2CN(C(=O)[C@@H](C)C#N)CCO2)c1O 944551924 YWAQDSYKRQVJBZ-WCBMZHEXSA-N 321.337 -0.459 30 20 DBED C#CCN1CCOC2(CCN(C(=O)C(C)(C)C(N)=O)CC2)C1 949389078 RCVSUHWFJUQEBH-UHFFFAOYSA-N 307.394 -0.176 30 20 DBED O=C(NC[C@@H]1CCN1C(=O)C#CC1CC1)c1c[nH]c(=O)cn1 951854801 HDRBFWTXUBUUFD-NSHDSACASA-N 300.318 -0.486 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@]3(CCN(C(=O)C(N)=O)C3)C2)c1 953141382 YBOCVVYYXAPBOF-HNNXBMFYSA-N 315.333 -0.564 30 20 DBED C[C@H](C#N)C(=O)N1CCC(C)(NC(=O)c2nnn(C)n2)CC1 956453703 RMIDCCAHJAZNKI-SECBINFHSA-N 305.342 -0.519 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@](C)(NC(=O)c2cc(=O)n(C)o2)C1 956865428 QVMVHXPWTXQQGS-LKFCYVNXSA-N 306.322 -0.141 30 20 DBED CC#CCN1C[C@@H](O)[C@H](CNC(=O)c2ccnc(OC)n2)C1 958248386 IJDABTOBAWVMFP-DGCLKSJQSA-N 304.350 -0.469 30 20 DBED C=CCCN1C[C@H](O)[C@H](CNC(=O)c2cn(C)c(=O)cn2)C1 958272927 NZJXHDQLZDGMNA-YPMHNXCESA-N 306.366 -0.621 30 20 DBED C#CCN1C[C@H](CNC(=O)c2ccc3ncn(C)c3n2)[C@@H](O)C1 958403764 JKFTYMAHWNMEGI-FZMZJTMJSA-N 313.361 -0.376 30 20 DBED N#Cc1cc(C(=O)N[C@H]2[C@@H]3CN([C@H]4CCCNC4=O)C[C@@H]32)c[nH]1 958618532 SPSZUQHDVFZGBD-RFQIPJPRSA-N 313.361 -0.175 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCNC2=O)C1 958910941 KYBXWFOIZWMJPO-SRVKXCTJSA-N 323.393 -0.635 30 20 DBED C#Cc1ccc(C(=O)NC2[C@H]3CN(Cc4nc(O)n[nH]4)C[C@H]23)nc1 962341636 JPEIJXFWYSTHKZ-QWRGUYRKSA-N 324.344 -0.253 30 20 DBED C=CCn1cc(C(=O)N2CC3(C[C@H](NC(C)=O)CO3)C2)nn1 965583431 UZXYXSAXITXNQK-NSHDSACASA-N 305.338 -0.416 30 20 DBED C=C1CCC(C(=O)N2CC3(C[C@H](NC(=O)C(N)=O)CO3)C2)CC1 965791787 SCSWHZZDTGHIMJ-LBPRGKRZSA-N 321.377 -0.296 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CN(C(=O)COC)C[C@@H]2C)nn1 966078662 HELPVYWHUFHVSP-WDEREUQCSA-N 307.354 -0.313 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](NCc2cc(=O)n3nccc3[nH]2)C1 967943263 HOXNUYHUNCIKLN-WDEREUQCSA-N 314.349 -0.127 30 20 DBED C=CC(C)(C)C(=O)N1CC(N(CC)C(=O)[C@H]2CNC(=O)N2)C1 968303452 GSVXVZSXSHCYBP-LLVKDONJSA-N 308.382 -0.061 30 20 DBED C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2cn(C)c(=O)nc2O)C1 968643743 QIWBSXBCFPRKEF-DGCLKSJQSA-N 318.377 -0.051 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]1CN(C)C(=O)c1ccc(=O)n(C)n1 978424926 BXQJSWJIASYRQL-MNOVXSKESA-N 317.349 -0.387 30 20 DBED C#CCN1C[C@@H]2C(CNC(=O)c3cnn4c(=O)cc[nH]c34)[C@H]2C1 978836279 URZNOGVCVRRIJM-CHWSQXEVSA-N 311.345 -0.437 30 20 DBED CC#CCN1C[C@H]2C(CNC(=O)c3ccc(=O)n(C)n3)[C@@H]2C1 979041375 AOUKIGIJPSBMDN-STQMWFEESA-N 300.362 -0.289 30 20 DBED C=CCN1C[C@@H]2CC[C@H](NC(=O)Cn3ncn(C)c3=O)C[C@H]2C1 980087069 QXTGNFNXMWNILR-IHRRRGAJSA-N 319.409 -0.016 30 20 DBED C#CCN1C[C@@H]2CC[C@@H](NC(=O)Cn3c(O)nnc3O)C[C@H]2C1 980231313 MGHCVUHVIHDXPM-SDDRHHMPSA-N 319.365 -0.461 30 20 DBED C#CCN1CCCC2(C1)CN(C(=O)Cn1ccc(O)nc1=O)C2 981877022 KMBSQKXCQDWFFQ-UHFFFAOYSA-N 316.361 -0.494 30 20 DBED C#CCN[C@H]1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)[C@H]1C 987193244 YHYQKNHVVZYKLQ-RYUDHWBXSA-N 304.350 -0.861 30 20 DBED C#CCN[C@@H]1C[C@@H](C)N(C(=O)Cc2c(C)nc(O)nc2O)C1 989595303 BBLXOJHTBOAFEX-MWLCHTKSSA-N 304.350 -0.049 30 20 DBED CC1(C)CN(C(=O)C2CC3(C2)NC(=O)NC3=O)C[C@H]1NCC#N 996408036 PTZXKFDADZZQJB-KGXJWFGYSA-N 319.365 -0.675 30 20 DBED C#CCN1CCC([C@@H](C)NC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 997333041 NSDCPCNZNSLRAG-PWSUYJOCSA-N 306.366 -0.566 30 20 DBED CN1CCC[C@@H]1C(=O)NCc1cn([C@@H]2CCN(CC#N)C2)nn1 999963891 VCSGGDPLZPIPNH-ZIAGYGMSSA-N 317.397 -0.241 30 20 DBED C=CCN1CC[C@@H](N2CC[C@@H](NC(=O)c3cn(C)nn3)C2)C1=O 1010863289 UESRMRDZRAGWEZ-DGCLKSJQSA-N 318.381 -0.594 30 20 DBED C[C@H]1C[C@H](NC(=O)Cn2cnnn2)CN1C(=O)C#CC1CC1 1012582658 SCZXSVXCSZQZBF-JQWIXIFHSA-N 302.338 -0.808 30 20 DBED O=C(CN1CCOCC1)NC1[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]12 1012972036 JFMAFNLVVZHMRH-ZIAGYGMSSA-N 317.389 -0.695 30 20 DBED C[C@@H]1[C@@H](NC(=O)C(N)=O)CCCN1C(=O)c1cc(C#N)c[nH]1 1015177573 IFBTYXGCYWGUMD-SCZZXKLOSA-N 303.322 -0.519 30 20 DBED CC1(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)CC1 1023331250 HPBRCILJYJDSIH-VXGBXAGGSA-N 302.334 -0.012 30 20 DBED C=CCn1cc(C(=O)NC2CCC(N[C@H](C)C(N)=O)CC2)nn1 1026573503 HOEWITSUZNADJJ-VOMCLLRMSA-N 320.397 -0.032 30 20 DBED N#Cc1cc(C(=O)N2CC[C@H](CN[C@H]3CCNC3=O)C2)c[nH]1 1026794951 VMESLTOMCCBHTN-MFKMUULPSA-N 301.350 -0.173 30 20 DBED CS(=O)(=O)CCN1CC[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1 1028489787 BMRLZPWPFPAIKA-LLVKDONJSA-N 324.406 -0.017 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2CC[C@H](C1)N2CC(=O)NC 1029481080 YDIRLFKJIHVPNQ-RQJABVFESA-N 307.394 -0.001 30 20 DBED C#CCN[C@@H]1CCN(C(=O)c2nc(O)nc(O)c2OC)C[C@@H]1C 1036256727 HKQJRSFTUXDVFM-VHSXEESVSA-N 320.349 -0.030 30 20 DBED C=CCN1CC[C@@H](N2CC[C@H]2CNC(=O)c2ncn(C)n2)C1=O 1038221331 ARCSZNUGEOJFTM-NWDGAFQWSA-N 318.381 -0.594 30 20 DBED C=CCN1CC[C@@H]1CNC(=O)c1cn(CC(=O)N(C)C)nn1 1039052169 JWFBKXVTSQUAPU-LLVKDONJSA-N 306.370 -0.644 30 20 DBED C=CCCC(=O)N1CC[C@](O)(CNC(=O)C(C)(C)C(N)=O)C1 1040118859 KCKPJWDJKZZSCJ-HNNXBMFYSA-N 311.382 -0.456 30 20 DBED C=CCO[C@@H](C)C(=O)NC[C@]1(O)CCN(C(=O)COC)C1 1040161167 KJVXTOLBLSWZHG-SMDDNHRTSA-N 300.355 -0.697 30 20 DBED N#CCN1CCC[C@]2(CCN(C(=O)C3CS(=O)(=O)C3)C2)C1 1040219871 GUNDETQCMGBXDZ-AWEZNQCLSA-N 311.407 -0.131 30 20 DBED Cc1[nH]nc(C(=O)N2CC[C@](O)(CNC(=O)[C@@H](C)C#N)C2)c1C 1040763676 QTAZTWOPGLUUOS-VFZGTOFNSA-N 319.365 -0.121 30 20 DBED CC(C)(F)C(=O)NCC1(O)CN(C(=O)c2c[nH]c(C#N)c2)C1 1041126038 UJPWWVWUQGUCOA-UHFFFAOYSA-N 308.313 -0.062 30 20 DBED C=CCCO[C@H](C)C(=O)NCC1(O)CN(C(=O)[C@@H](C)C#N)C1 1041874025 NBUNDBKMBYJGIY-NWDGAFQWSA-N 309.366 -0.183 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCCCO2)C1 1043033298 WTICCMWYONLCDA-ZDUSSCGKSA-N 324.377 -0.715 30 20 DBED C=C(C)CCC(=O)N1CC(O)(CNC(=O)C[C@@H]2CCNC2=O)C1 1043365197 JNNGRDPCTCIINI-LBPRGKRZSA-N 323.393 -0.442 30 20 DBED CN(C)CCCCC(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1044251737 QFYVWJBMCHSNEF-UHFFFAOYSA-N 321.421 -0.179 30 20 DBED C=C(C)C(C)(C)C(=O)NCC1(O)CN(C(=O)c2cnon2)C1 1044404250 CILFIJFZGQMWAS-UHFFFAOYSA-N 308.338 -0.025 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1045016921 ANQIYHQRNLVDRP-GDNZZTSVSA-N 308.378 -0.220 30 20 DBED C[C@@H]1OCC[C@@H]1C(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1045294037 VDYKTMSYIZCIHM-AAEUAGOBSA-N 306.362 -0.486 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)Cc2nonc2C)C1 1045644372 OMPMRRUWIHJHHM-UHFFFAOYSA-N 308.338 -0.424 30 20 DBED C=CCN1CC[C@@H](N2CCN(C(=O)C3CN(C(C)=O)C3)CC2)C1 1046024536 MYGVOFIXPTTYQJ-MRXNPFEDSA-N 320.437 -0.131 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)CC2=CCOCC2)C1 1046119910 MBCWJMWMYLTYSA-LLVKDONJSA-N 307.350 -0.428 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC(=O)N(CCC)C2)C1 1047548110 QQHTXICRVRTQQN-RDBSUJKOSA-N 309.410 -0.066 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCn2cccn2)C1 1048285389 NPHPGUNZXGNPOJ-AVGNSLFASA-N 319.365 -0.537 30 20 DBED C=CCCC(=O)N(C)[C@H]1CN(C(=O)c2cnnn2CC)C[C@@H]1O 1048523587 PLWIOLGYAHZQSR-STQMWFEESA-N 321.381 -0.092 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CN(CCN3CCNC3=O)C[C@@H]2C1 1048725093 NKUKHBBMRGAHAR-UPJWGTAASA-N 305.382 -0.439 30 20 DBED C[C@H](NC(=O)C#CC1CC1)[C@@H]1CCN(C(=O)CNC(N)=O)C1 1049984664 VTICWJCBOAYSKA-CMPLNLGQSA-N 306.366 -0.579 30 20 DBED C=CCOCC(=O)N[C@H](C)[C@@H]1CCN(C(=O)c2ncn(C)n2)C1 1050619466 NYUYJIMDORQFAO-VXGBXAGGSA-N 321.381 -0.016 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)c1ccnc2[nH]nnc12 1051015283 FUTZHZUCTWPLQC-SNVBAGLBSA-N 300.322 -0.583 30 20 DBED CC#CCN1CCOC[C@H]1CNC(=O)c1ccc(=O)n(CC)n1 1051173421 SHQDSBJZURTNRH-CYBMUJFWSA-N 318.377 -0.283 30 20 DBED CCn1ncc(CNC[C@@H]2CN(C(=O)[C@@H](C)C#N)CCO2)n1 1051495165 RJLZDBXVIKSCBN-WCQYABFASA-N 306.370 -0.225 30 20 DBED CC(=O)NCC(=O)NC[C@@H]1CN(C(=O)C#CC(C)C)C[C@H]1C 1052529851 NMOKZFZCUSJALY-TZMCWYRMSA-N 307.394 -0.007 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1COC2(C1)CN(CCCO)C2 1053930851 HPWAQJPVIVWQFF-MCIONIFRSA-N 310.394 -0.081 30 20 DBED CCC(=O)N[C@@H](C)C(=O)N1C[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2C1 1055369214 WUFHHMOJQYLAFN-XQHKEYJVSA-N 320.393 -0.022 30 20 DBED C=CCn1cc(C(=O)NCCN2CCC(NC(C)=O)CC2)nn1 1055577326 GDIJIOHRWUOKRL-UHFFFAOYSA-N 320.397 -0.206 30 20 DBED N#Cc1cnc(N2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)cn1 1056024079 PPLFQUGDQUJOSC-MNOVXSKESA-N 300.322 -0.882 30 20 DBED Cc1nc(CC(=O)NC2[C@H]3CN(c4nccnc4C#N)C[C@H]23)n[nH]1 1056203527 NWUCYQUPOLJOQE-UWVGGRQHSA-N 324.348 -0.432 30 20 DBED CN(c1cncc(C#N)n1)[C@H]1CCN(C(=O)c2cnn(C)n2)C1 1056938926 OSDMMJOMUGACJM-NSHDSACASA-N 312.337 -0.172 30 20 DBED Cn1cccc1C(=O)N(CCO)CCNC(=O)CSCC#N 1056987012 OUAHGAAYXRXWPS-UHFFFAOYSA-N 324.406 -0.167 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)COCCN(C)C 1057167419 NVQMPUCCWAWXQI-UHFFFAOYSA-N 315.414 -0.532 30 20 DBED C=C[C@@](C)(O)CC(=O)N(CCO)CCNC(=O)[C@H](CC)OC 1057450637 VTJFLQPPSNJKOH-SWLSCSKDSA-N 316.398 -0.324 30 20 DBED CC[C@@H](C(=O)NCCN(CCO)C(=O)C#CC(C)C)N(C)C 1057517641 ZMEBNYABJIXIJH-AWEZNQCLSA-N 311.426 -0.077 30 20 DBED C#CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)C1CC=CC1 1057583747 YUTDSWVJYNBFGX-ZDUSSCGKSA-N 308.378 -0.072 30 20 DBED COc1cc(C(=O)N(CCO)CCNC(=O)[C@H](C)C#N)ncn1 1057674986 FWNSLAGWWVHHBL-SNVBAGLBSA-N 321.337 -0.804 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)c1ccns1 1057811086 BRPQPHOASCAHKH-UHFFFAOYSA-N 313.379 -0.104 30 20 DBED C#Cc1ccc(C(=O)N(CCO)CCNC(=O)CSC)nc1 1058238467 DVXKCGNMORLTML-UHFFFAOYSA-N 321.402 -0.023 30 20 DBED C#Cc1cncc(C(=O)NCCN(CCO)C(=O)[C@H](C)C#N)c1 1058657390 YINVUUVCFSBUFP-GFCCVEGCSA-N 314.345 -0.227 30 20 DBED N#Cc1nc(=N[C@H]2C[C@@H](NC(=O)[C@H]3COCCO3)C2)cc[nH]1 1059563581 GAWDJVFAJCEVJV-OUAUKWLOSA-N 303.322 -0.755 30 20 DBED C[C@@H](C#N)C(=O)NCC[C@H]1CCN(C(=O)c2ncn(C)n2)C1 1059589842 PQJCOQSNOHZRHK-QWRGUYRKSA-N 304.354 -0.057 30 20 DBED CCN(CC)CC(=O)NC[C@@H]1COCCN1C(=O)[C@@H](C)C#N 1061603032 UVSOOAAYFAUIOG-QWHCGFSZSA-N 310.398 -0.169 30 20 DBED C#CCOCCC(=O)N1CCOC[C@@H]1CNC(=O)c1cnon1 1061805385 SBUYHMALFAMSHP-NSHDSACASA-N 322.321 -0.933 30 20 DBED N#Cc1ccc(C(=O)NC2(CNC(=O)CC(N)=O)CCC2)[nH]1 1062732750 BBKXSSTURCIOPV-UHFFFAOYSA-N 303.322 -0.470 30 20 DBED CN(C(=O)Cn1cnnn1)[C@@H]1CCN(c2ncccc2C#N)C1 1062876978 OGTKWSBURMKAOO-GFCCVEGCSA-N 312.337 -0.323 30 20 DBED CN(C(=O)Cc1nc[nH]n1)[C@H]1CCN(c2ccnc(C#N)n2)C1 1062976715 SDDDXLVXBAOCAY-JTQLQIEISA-N 312.337 -0.254 30 20 DBED C#CCO[C@H](C)C(=O)NC1(CNC(=O)C(C)(C)C(N)=O)CCC1 1063370431 LPHBLNLSVKTKGN-LLVKDONJSA-N 323.393 -0.309 30 20 DBED C#CCCCC(=O)N1CCO[C@H](CNC(=O)c2[nH]nnc2C)C1 1065090446 KXZMMBICHTVUIG-GFCCVEGCSA-N 319.365 -0.126 30 20 DBED O=C(Cc1nc[nH]n1)NC[C@H]1CN(C(=O)C#CC2CC2)CCO1 1065136484 DEGGYHNUHBGYKN-LBPRGKRZSA-N 317.349 -0.896 30 20 DBED CC#CCCCC(=O)NC[C@@H]1CN(C(=O)c2nc[nH]n2)CCO1 1065448826 CYRQRKBHEVTNCY-GFCCVEGCSA-N 319.365 -0.045 30 20 DBED Cc1nonc1CC(=O)N1CCO[C@@H](CNC(=O)[C@H](C)C#N)C1 1065563381 ADLPTFKMNJIUKT-KOLCDFICSA-N 321.337 -0.576 30 20 DBED C[C@@H](N=c1cc[nH]c(C#N)n1)[C@H]1CCN(C(=O)c2cnn[nH]2)C1 1065784648 BYDLUHFLYHNSNE-ZJUUUORDSA-N 312.337 -0.149 30 20 DBED C#CCOCCC(=O)N1CCC[C@H](NC(=O)c2nc[nH]n2)CC1 1066390029 IJJOMLONCJMDTJ-LBPRGKRZSA-N 319.365 -0.045 30 20 DBED N#Cc1ccc(NCC2CC(NC(=O)[C@H]3CNC(=O)N3)C2)cn1 1067883833 SHWNKXRQAQXSNC-UTVJUBTNSA-N 314.349 -0.059 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)c2nc[nH]n2)CCOCC1 1070232096 BTDAZKJELHPBET-VIFPVBQESA-N 306.326 -0.640 30 20 DBED CC(=O)N1CC(C(=O)N2CCC[C@@H](NC(=O)[C@H](C)C#N)C2)C1 1070660835 GTWCJSOZTPXCND-ZWNOBZJWSA-N 306.366 -0.268 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCC[C@@H](NC(=O)c2nnn(C)n2)C1 1070663365 ASAVEMWHUNXHST-YGRLFVJLSA-N 322.369 -0.742 30 20 DBED CN1CCCC[C@@H]1C(=O)N1CCC(=O)NCCN(CC#N)CC1 1070973260 IMBNZMNBNSHAHD-CQSZACIVSA-N 321.425 -0.355 30 20 DBED C=CCOCC(=O)N1C[C@H](C)[C@@H](NC(=O)CN2CCCC2=O)C1 1071809258 RUYZGNJSSRPZRU-STQMWFEESA-N 323.393 -0.226 30 20 DBED C#CCCCCC(=O)N1C[C@H](C)[C@@H](NC(=O)CNC(N)=O)C1 1071922401 SWOYSRKMFMQIMV-RYUDHWBXSA-N 308.382 -0.189 30 20 DBED CC#CCN1CCC2(C1)CN(C(=O)c1nnc(O)nc1O)C2 1072898295 RMHFFDAADDCOQM-UHFFFAOYSA-N 303.322 -0.546 30 20 DBED COC[C@H](C)C(=O)N1CC(N2CCN(C(=O)[C@@H](C)C#N)CC2)C1 1073596661 BXELFVAWZCLSJO-STQMWFEESA-N 322.409 -0.216 30 20 DBED C=CCCOCC(=O)N1CC[C@@H]2CN(C(=O)C(N)=O)C[C@@H]2CC1 1074342349 OERQXYIUZNMBIV-BETUJISGSA-N 323.393 -0.239 30 20 DBED C=CCOCC(=O)N1CCC(O)(CNC(=O)[C@@H](C)C#N)CC1 1074515631 JJSPKCVUELBBNI-LBPRGKRZSA-N 309.366 -0.182 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3cnn(C)c3C2)C1 1077573609 NHBYSQZOMVJNBY-UXIGCNINSA-N 304.394 -0.128 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)c2cc(Cn3cccn3)on2)C1 1077972845 VFDQQNJEVGQLLD-ZIAGYGMSSA-N 317.349 -0.120 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2cnc(OCC3CC3)cn2)C1 1077992335 VOFZHUPCIIRJJD-CHWSQXEVSA-N 317.349 -0.436 30 20 DBED C[C@@H](CCNC(=O)[C@@H](C)C#N)NC(=O)c1ccc(=O)n(C)n1 1078138122 RJCOMPICCMRZOE-UWVGGRQHSA-N 305.338 -0.435 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC(=O)NC2=O)C1 1078289158 GDEAWHUQQGNQTQ-IJLUTSLNSA-N 309.366 -0.833 30 20 DBED C=C(C)CCN1C[C@@H](NC(=O)CN2CC(=O)NC2=O)[C@H](C)C1 1080633427 BPSUGKXTWOCGGJ-VXGBXAGGSA-N 308.382 -0.059 30 20 DBED C#CCN1C[C@@H](NC(=O)c2cn(C[C@H]3CCOC3)nn2)[C@H](C)C1 1080688021 PRDCGKLGEPTESQ-MGPQQGTHSA-N 317.393 -0.002 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)c2[nH]nnc2C)C[C@@H]1O 1081332455 GJBCUWGGULDBKE-QWRGUYRKSA-N 307.354 -0.372 30 20 DBED C=CC(C)(C)CC(=O)NC[C@@H]1CN(C(=O)CC(N)=O)C[C@@H]1O 1081516924 KTBWMDGXEPDHOD-MNOVXSKESA-N 311.382 -0.600 30 20 DBED C=C(C)CCC(=O)NC[C@H]1CN(C(=O)Cn2cncn2)C[C@H]1O 1081532768 BDKPAIWOIHNPNQ-QWHCGFSZSA-N 321.381 -0.430 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CN(C)CCO1 1083035296 LEMDQSPOOSKMND-ZNMIVQPWSA-N 307.394 -0.748 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CCO[C@@H]2CN(CC(N)=O)C[C@@H]21 1083085366 NPGKYMMLWRACIF-ZOBORPQBSA-N 323.393 -0.636 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@]2(C3CCCC3)CCNC2=O)C1 1083536141 DVYWYYQFXUAFIM-KEYYUXOJSA-N 319.405 -0.523 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)c2ccc3nnc(C)n3c2)C1 1083590841 WRKFNGXCFVOWDY-KGLIPLIRSA-N 313.361 -0.164 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](N[C@H]2CCNC2=O)C1 1086109809 FVCFPACAVPKXNW-XGUBFFRZSA-N 318.421 -0.543 30 20 DBED C#CCN[C@@H]1CC[C@H](CNC(=O)[C@@H]2CN(C(C)=O)CCO2)C1 1086867007 MOWYMARDKSUUIW-ZNMIVQPWSA-N 307.394 -0.259 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2ccnn2C)C[C@H]1c1cnn(C)c1 1086970726 FXTLIEMXSVLCSH-UONOGXRCSA-N 312.377 -0.015 30 20 DBED COc1ccncc1CC(=O)N[C@@H]1CCN(CC#N)C[C@H]1O 1090357052 AYPFFDMMMGFXSQ-CHWSQXEVSA-N 304.350 -0.292 30 20 DBED COCc1ncc(C(=O)N[C@H]2CCN(CC#N)C[C@@H]2O)s1 1090842376 ZEJVJIQHJJNLGS-UWVGGRQHSA-N 310.379 -0.022 30 20 DBED COC[C@H](C)C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1OC 1090868347 QAEPLURQOYRTMJ-QJPTWQEYSA-N 319.365 -0.049 30 20 DBED N#Cc1nccc(N2C[C@H]3C(NC(=O)CCc4cnn[nH]4)[C@@H]3C2)n1 1093360443 FKJPLJSOHSAXIN-GHMZBOCLSA-N 324.348 -0.350 30 20 DBED N#Cc1nccc(N2C[C@H]3[C@H](NC(=O)CCc4cnn[nH]4)[C@H]3C2)n1 1093360445 FKJPLJSOHSAXIN-HBYGRHMLSA-N 324.348 -0.350 30 20 DBED N#Cc1nc(=NCCNC(=O)c2ccc(C(N)=O)cn2)cc[nH]1 1093704717 FPINLNBTRMIWIF-UHFFFAOYSA-N 311.305 -0.894 30 20 DBED CN1CCC(C(=O)NCc2cn(C3CN(CC#N)C3)nn2)CC1 1094315120 IDHKUNBEQGLYNO-UHFFFAOYSA-N 317.397 -0.384 30 20 DBED CNC(=O)NCCC(=O)NCCCN=c1cc[nH]cc1C#N 1094393127 OJFGGXARLQXADL-UHFFFAOYSA-N 304.354 -0.388 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)c3cnns3)CC2=O)C1 1094712691 YYSUQXQETBYQEC-VIFPVBQESA-N 307.379 -0.261 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)[C@@]3(C)CNC(=O)C3)CC2=O)C1 1094764158 QRHKDKJMWXUWNE-BDJLRTHQSA-N 320.393 -0.900 30 20 DBED N#Cc1nccnc1N1CC[C@@H](NC(=O)CCNC(N)=O)C1 1096377752 HTISNDYGMLKXDZ-SECBINFHSA-N 303.326 -0.898 30 20 DBED N#Cc1nccnc1N1CCCC[C@H]1CNC(=O)CNC(N)=O 1097392771 JBGWLVMQOUOWLR-JTQLQIEISA-N 317.353 -0.508 30 20 DBED C[C@@H](CNC(=O)c1cnn(C)c1N)Nc1nccnc1C#N 1097762070 CGFXIRUFXFPDTH-QMMMGPOBSA-N 300.326 -0.106 30 20 DBED C[C@H](CNC(=O)C(=O)NCC(F)F)Nc1cnc(C#N)cn1 1098134780 FJDVQYAXFVQDAT-SSDOTTSWSA-N 312.280 -0.354 30 20 DBED CC(=O)N[C@@H](C(=O)N1CCC(N(CC#N)CCO)CC1)C(C)C 1098538545 SDVMGIMMYLQHGY-OAHLLOKOSA-N 324.425 -0.044 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)[C@@H]1COC(=O)N1)C[C@H](C)O2 1098592482 NHZVFPRYFNZIML-STQMWFEESA-N 321.377 -0.190 30 20 DBED C[C@H](CCNC(=O)CCn1cnnn1)Nc1nccnc1C#N 1099416982 MGXPMOVMSDQVQK-SNVBAGLBSA-N 315.341 -0.268 30 20 DBED CNC(=O)NCCC(=O)N1C[C@H]2CC[C@H]1[C@H]1CN(CC#N)C[C@H]21 1099468092 JCQRHMJFMDUTQT-MQYQWHSLSA-N 319.409 -0.002 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)CC(C)(C)O)[C@@H](O)C1 1099810807 TZVRZGMELODDIJ-OLZOCXBDSA-N 300.399 -0.099 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)c2[nH]c(O)nc2C)[C@H](O)C1 1099884693 BGUCSGNEFMVTFX-VXGBXAGGSA-N 324.381 -0.209 30 20 DBED C=CCC1(C(=O)N[C@@H]2CCN(CCO)C[C@@H]2O)CCOCC1 1100092224 LHNRBTWSOOCHQX-KGLIPLIRSA-N 312.410 -0.097 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)CCCC(N)=O)[C@@H](O)C1 1100142529 DQTXOLZXYCQZNZ-OLZOCXBDSA-N 313.398 -0.604 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)CCC(=O)NCC)C1 1100178236 CPYJAAGCUACURU-UHFFFAOYSA-N 322.409 -0.864 30 20 DBED N#Cc1ccc(C(=O)NCC2CC(NCCOCCO)C2)[nH]1 1100245682 AGRMOHWKYJBKOL-UHFFFAOYSA-N 306.366 -0.007 30 20 DBED C#CCOCCC(=O)NCCN(CC)c1ccc2nnnn2n1 1100619046 HPQMXMGDRYTCLT-UHFFFAOYSA-N 317.353 -0.498 30 20 DBED COCC#CCNC1CC(CNC(=O)C2CC(=O)NC(=O)C2)C1 1100755090 ZLFIENTWSDKEHU-UHFFFAOYSA-N 321.377 -0.827 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)c2cn(CC)nn2)C1 1100803352 YLMZLNBOJNLHOR-UHFFFAOYSA-N 318.381 -0.855 30 20 DBED N#Cc1ccc(N2CCC[C@@H]2CNC(=O)C2(C(N)=O)CC2)nn1 1100902111 DEPWKDPFJIAEHA-LLVKDONJSA-N 314.349 -0.301 30 20 DBED CCCN(CCNC(=O)[C@H]1C[C@H]1C(N)=O)c1ccnc(C#N)n1 1101240803 UVLMHXNUFXEJEM-MNOVXSKESA-N 316.365 -0.198 30 20 DBED CN(CCNc1ccc(C#N)nn1)C(=O)[C@H]1CC[C@H]1C(N)=O 1101892758 HCWPHIDYADOTPH-MNOVXSKESA-N 302.338 -0.270 30 20 DBED Cc1cc(=NCCN(C)C(=O)[C@@H]2CCNC2=O)c(C#N)c[nH]1 1101902863 HLAOOXVFBHLGMR-GFCCVEGCSA-N 301.350 -0.310 30 20 DBED CNC(=O)CC(=O)NCC[C@H]1CCN(c2ccnc(C#N)n2)C1 1102312373 WZRZUSPTKCHKKI-NSHDSACASA-N 316.365 -0.183 30 20 DBED CC(=O)NCC(=O)N1CC[C@H](CN(C)c2cncc(C#N)n2)C1 1102424862 BUJIKICTSKIZFW-GFCCVEGCSA-N 316.365 -0.231 30 20 DBED CC[C@@H](CNC(=O)[C@@H]1COCCN1C)N=c1cc[nH]c(C#N)n1 1103035887 ASXRGXPCZDDJMD-RYUDHWBXSA-N 318.381 -0.593 30 20 DBED C[C@](CN=c1cc[nH]c(C#N)n1)(NC(=O)CC(N)=O)C1CC1 1103507244 TYYSMDAMVDCUJI-CQSZACIVSA-N 302.338 -0.658 30 20 DBED C[C@@H](CNC(=O)c1cnn(C)n1)CNc1ccc(C#N)nn1 1104019183 SPOLJESJBCWHOZ-SECBINFHSA-N 300.326 -0.045 30 20 DBED CC(=O)NCC(=O)NC[C@@H]1CN(c2ccc(C#N)nc2)CCO1 1104283145 IAELFKISTUZMQM-CQSZACIVSA-N 317.349 -0.589 30 20 DBED C#CCNCc1cn(C2CN(C(=O)c3snnc3C)C2)nn1 1105152777 GYJHJGULSUOWOW-UHFFFAOYSA-N 317.378 -0.142 30 20 DBED Cc1nsc(N(C)CCN(C)C(=O)CNC(N)=O)c1C#N 1105321985 UVJPKLVJDQEMDN-UHFFFAOYSA-N 310.383 -0.114 30 20 DBED C=CCNCc1cn(C2CN(C(=O)C[C@H]3CCC(=O)N3)C2)nn1 1105342508 IJLRFJADJKGTDF-LLVKDONJSA-N 318.381 -0.394 30 20 DBED N#Cc1cncc(NC[C@H](O)CNC(=O)c2cc[n+]([O-])cc2)n1 1105735767 ZBODUCVYAPHNCN-LBPRGKRZSA-N 314.305 -0.816 30 20 DBED CCc1nc(C#N)cc(NC[C@@H](O)CNC(=O)[C@H](C)C#N)n1 1105773705 LWYIBAJQOROGAQ-MWLCHTKSSA-N 302.338 -0.041 30 20 DBED C#CCCCC(=O)NC[C@@H](O)CNc1ncnc2c1nnn2C 1105798894 OGIJRBKRPNLEPS-SNVBAGLBSA-N 317.353 -0.549 30 20 DBED N#Cc1nc(=NC[C@H](O)CNC(=O)Cc2ccco2)cc[nH]1 1105928502 PTRAKLSLJBSLSL-JTQLQIEISA-N 301.306 -0.505 30 20 DBED C[C@]1(C(=O)NC[C@H](O)CNc2ccc(C#N)nc2)CNC(=O)C1 1106028252 PBBJRDXWZNDVTP-IUODEOHRSA-N 317.349 -0.632 30 20 DBED COC[C@@H](OC)C(=O)NC[C@@H](O)CNc1ccc(C#N)nc1 1106087255 NFVHDWWHRJRQBA-QWHCGFSZSA-N 308.338 -0.496 30 20 DBED C[C@@H]1CN(C(=O)CN2C(=O)CC(C)(C)C2=O)C[C@H]1CNCC#N 1106134376 VOZWUCQKHNEDNF-VXGBXAGGSA-N 320.393 -0.021 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1C 1106781381 BAAHLFOCPKHJRI-IJLUTSLNSA-N 318.381 -0.760 30 20 DBED C=CCN1CC(n2cc(CNC(=O)[C@H](C)n3cncn3)nn2)C1 1107159904 YQMZMRJRMXDZIG-NSHDSACASA-N 316.369 -0.210 30 20 DBED COCC#CCN1CCO[C@](C)(CNC(=O)[C@@]23COC[C@@H]2C3)C1 1107956288 IMPUYIRVMRZZMH-UAGQMJEPSA-N 322.405 -0.120 30 20 DBED C[C@@]1(CNC(=O)Cn2ccccc2=O)CN(CC#N)CCO1 1108388761 DFOFAZMZUAVBHL-OAHLLOKOSA-N 304.350 -0.421 30 20 DBED N#CCN1CC(N2C[C@@H](NC(=O)CCn3cccn3)CC2=O)C1 1108506034 JDNYQAJJKBLWDA-LBPRGKRZSA-N 316.365 -0.802 30 20 DBED C=CCCN1CC(N2C[C@@H](NC(=O)CN(C)C(C)=O)CC2=O)C1 1108510272 AOOOLWHNRAQJRJ-ZDUSSCGKSA-N 322.409 -0.558 30 20 DBED CC[C@]1(C(=O)N[C@@H](C)CN=c2cc[nH]c(C#N)n2)CCNC1=O 1108762902 GWEXMDBFNINZKD-BONVTDFDSA-N 316.365 -0.397 30 20 DBED C[C@@H](CN(C)c1cnc(C#N)cn1)NC(=O)[C@H]1CCCNC1=O 1109128945 WXJQABHDXRMYQD-JQWIXIFHSA-N 316.365 -0.185 30 20 DBED C[C@@H](CN(C)c1ccc(C#N)cn1)NC(=O)[C@@H]1CN(C)C(=O)N1 1109193856 KTGJQCVTTYHYNZ-JQWIXIFHSA-N 316.365 -0.082 30 20 DBED CN(CCCN=c1cc[nH]c(C#N)n1)C(=O)CCCC(N)=O 1109471147 LOUHEXUXQRKEOU-UHFFFAOYSA-N 304.354 -0.314 30 20 DBED N#Cc1nccnc1NC[C@H](NC(=O)[C@@H]1CCC(=O)N1)C1CC1 1109880481 LUQGJNZYUJPBIS-JQWIXIFHSA-N 314.349 -0.066 30 20 DBED C[C@H](NC(N)=O)C(=O)NCC1(Nc2nccnc2C#N)CC1 1110104670 KFPAVJGPKWTWQA-QMMMGPOBSA-N 303.326 -0.534 30 20 DBED C[C@]1(C(=O)NCC2(Nc3cncc(C#N)n3)CC2)CCNC1=O 1110344694 SCDBHYJSLNVXFL-AWEZNQCLSA-N 314.349 -0.065 30 20 DBED N#Cc1ccc(N2CC[C@@](O)(CNC(=O)c3nc[nH]n3)C2)nc1 1111088588 AGWOPWOYUWYUIR-CQSZACIVSA-N 313.321 -0.557 30 20 DBED CNC(=O)CC(=O)N1C[C@@H]2CN(c3ccc(C#N)cn3)C[C@@H]2C1 1111292946 SCIMURPAHAPIBI-BETUJISGSA-N 313.361 -0.016 30 20 DBED N#Cc1nccnc1N1C[C@@H](O)[C@H](CNC(=O)C#CC2CC2)C1 1112719787 DDQONPDYTRDEFW-TZMCWYRMSA-N 311.345 -0.325 30 20 DBED CC(=O)NCC(=O)N1CCC[C@H]1CN(C)c1ccnc(C#N)n1 1112778437 LFNDVMUHKQYKLN-LBPRGKRZSA-N 316.365 -0.088 30 20 DBED N#Cc1cnc(NCC2CC(NC(=O)CNC(N)=O)C2)cn1 1112815771 DMWXXUBYAMMYOT-UHFFFAOYSA-N 303.326 -0.677 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCN(Cc2nc(N(C)C)no2)CC1 1112844704 BURVGSDAJIUQAZ-LBPRGKRZSA-N 321.381 -0.182 30 20 DBED C[C@H](NC(=O)Cn1ncnn1)[C@H](C)Nc1ccc(C#N)cn1 1113192855 CETXBKCHJUTDOH-UWVGGRQHSA-N 300.326 -0.055 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)c3cn[nH]c3)[C@@H]2C1 1113917774 WVCGTLGCXLVALC-MVWJERBFSA-N 301.350 -0.792 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@@H]2CN(Cc3coc(C)n3)C[C@@H]12 1114160389 XHOWHUHGIMKUSA-CHWSQXEVSA-N 316.361 -0.331 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@@H]2CN(C[C@@H]3CCCCO3)C[C@@H]12 1114160526 ZQENWIMPGGBZGQ-BFHYXJOUSA-N 319.405 -0.259 30 20 DBED CCn1nccc1C(=O)NC1[C@H]2CN(CC(=O)NCC#N)C[C@H]12 1114174634 XIIIENKRQZHBBQ-QWRGUYRKSA-N 316.365 -0.797 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)/C=C\c3ccc[nH]3)[C@H]2C1 1114183635 CAQLVMGHTCLIPN-RTWQZLQVSA-N 312.373 -0.176 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H]1[C@@H]2CN(CCN3CCCC3=O)C[C@@H]21 1114262734 ITJSBTFHDWIFAZ-NYTXWWLZSA-N 319.405 -0.307 30 20 DBED C#CCOCCC(=O)N[C@H]1[C@@H]2CN(Cc3cn(CC)nn3)C[C@@H]21 1114268224 HYYCBONOZQOYBI-FOLVSLTJSA-N 317.393 -0.116 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)[C@H](C)CCCOC)[C@@H]2C1 1115086335 SCSGUDXIQANMQI-MGPQQGTHSA-N 321.421 -0.155 30 20 DBED C[C@H](CN(C)C(=O)C1=COCCO1)N=c1cc[nH]c(C#N)n1 1115636513 RVNNLWRSFPJPRL-SNVBAGLBSA-N 303.322 -0.083 30 20 DBED C=CCn1c([C@@H](O)COC)nnc1N1CC(=O)N(C)C[C@H]1C 1121732922 SOENDEKYZPXOMI-MNOVXSKESA-N 309.370 -0.189 30 20 DBED CN1CC[C@H](C(=O)NC[C@H](CO)Nc2ccc(C#N)cn2)C1=O 1122430982 RHLDRELQNVMFJJ-VXGBXAGGSA-N 317.349 -0.679 30 20 DBED Cc1ccn(CC(=O)NC[C@@H](CO)Nc2cncc(C#N)n2)n1 1122593032 KIABARRVQMYIGS-LBPRGKRZSA-N 315.337 -0.558 30 20 DBED Cc1cc(C#N)nc(N[C@@H]2CCN(C(=O)CNC(N)=O)[C@H]2C)n1 1122933599 YRKLPYZFJNNXNT-GXSJLCMTSA-N 317.353 -0.274 30 20 DBED CCC(=O)NCC(=O)N1C[C@@H](N=c2cc[nH]c(C#N)n2)C[C@H]1C 1123172662 YJKOAQNCONXNDX-MNOVXSKESA-N 316.365 -0.302 30 20 DBED CN(C[C@H](O)CNc1cncc(C#N)n1)C(=O)Cn1ccnc1 1124399203 LSIZCHJBOGCDER-GFCCVEGCSA-N 315.337 -0.524 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)[C@@H](C)COC 1124765288 RSGRSHVCGYRJBQ-WDEREUQCSA-N 314.386 -0.625 30 20 DBED C#CCNC(=O)CC(=O)NCCNC[C@H](O)C1CCCCC1 1125981988 NZUCMOJQXVTTFV-AWEZNQCLSA-N 309.410 -0.227 30 20 DBED C#CCO[C@H](C)C(=O)NCCNCCn1c(C)csc1=O 1127052039 PXOONJKYQZRLTP-GFCCVEGCSA-N 311.407 -0.038 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1ccn(CCN(C)C)n1 1127576438 PUTYPNLBBLDDIV-UHFFFAOYSA-N 322.413 -0.934 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCN[C@H](C)C(=O)NCCC 1129791159 VSCZLFAFCNMIGX-KGLIPLIRSA-N 308.426 -0.296 30 20 DBED C#CCCN[C@@H]1CN(C(=O)CC(=O)N(C)C)C[C@@H]1n1ccnn1 1130032577 IAQQNVGMCZIISE-OLZOCXBDSA-N 318.381 -0.879 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1cccc2nccn12 1131270380 JHSMHFDSOUZBGU-UHFFFAOYSA-N 300.322 -0.707 30 20 DBED C=CCOCC(=O)N[C@H]1CC[C@@H](C)N(Cc2nnnn2C)C1 1131945857 BXCFVCUDRHYCLJ-NEPJUHHUSA-N 308.386 -0.118 30 20 DBED C=CCNC(=O)CNCCNC(=O)CCNC(=O)C(C)(C)C 1132126096 ISTHNXZJRKYDIO-UHFFFAOYSA-N 312.414 -0.453 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)c1ccc(O)nn1 1133614265 DKFXLRDAWQPNCA-MNOVXSKESA-N 319.365 -0.582 30 20 DBED Cc1nnc(CC(=O)N[C@H](C)C[C@@H](C)NCC(=O)NCC#N)o1 1134269070 CYFSBRSRNQVIQY-NXEZZACHSA-N 322.369 -0.567 30 20 DBED N#Cc1cccc(CNCCNC(=O)[C@@H]2CC(=O)NC(=O)N2)c1 1134460792 JVIXTWHQKOLKHU-LBPRGKRZSA-N 315.333 -0.638 30 20 DBED C#CCCN[C@H](C)C[C@@H](C)NC(=O)CNC(=O)CNC(C)=O 1134769043 IGXUIQQOLYJSQS-VXGBXAGGSA-N 310.398 -0.865 30 20 DBED C=CCNC(=O)CN1CCC2(C1)CN(C(=O)c1n[nH]cc1F)C2 1148235168 JUNBKKARAOAVRW-UHFFFAOYSA-N 321.356 -0.001 30 20 DBED C#CCNC(=O)CN1CCCO[C@H](CNC(=O)CC2CC2)C1 1149037918 FLQGEQYXBKFAKH-CQSZACIVSA-N 307.394 -0.257 30 20 DBED COCC#CCN1CCCO[C@@H](CNC(=O)[C@H]2CCOC2)C1 1149330617 LYOUAANUMPGVRS-GJZGRUSLSA-N 310.394 -0.120 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1cncnc1C1CC1 1149524827 PPKQDCMHTSHCKQ-UHFFFAOYSA-N 303.366 -0.024 30 20 DBED C#CCCCC(=O)NC[C@H]1CN([C@H]2CCNC2=O)CCCO1 1149638853 JKGDORAMRISPQF-KBPBESRZSA-N 307.394 -0.115 30 20 DBED CC#CCN1CCCO[C@@H](CNC(=O)CCc2cnn[nH]2)C1 1150351443 ZIUUJYCOBXGPLZ-AWEZNQCLSA-N 305.382 -0.032 30 20 DBED C#CCN1CCC(C(=O)NCCNCC(=O)NCC2CC2)CC1 1152334683 NXHNWQHYEVQAJZ-UHFFFAOYSA-N 320.437 -0.436 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)Cc1cnc[nH]1 1155496750 MWHSCMCTLXGQNA-LLVKDONJSA-N 306.370 -0.581 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)C[C@@H]1COC(=O)C1 1156587333 YDGRPPOAWRDFMC-NEPJUHHUSA-N 309.366 -0.827 30 20 DBED C#CCNC(=O)CNCCCNC(=O)C(C)(C)n1cnc(C)c1 1160819994 ALFLZTAXEDAGAD-UHFFFAOYSA-N 319.409 -0.228 30 20 DBED CC[C@@H]1C[C@@H](C(=O)NCCCNCC(=O)NCC#N)CC(=O)N1 1163073717 PJCDFTMHTZPWAF-VXGBXAGGSA-N 323.397 -0.973 30 20 DBED CCc1cc(C(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)n[nH]1 1181114750 DQKMPLPGZGHTPB-LLVKDONJSA-N 304.354 -0.584 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)C23CCCN2CCC3)C1 1183939827 LBHSQLHHPGEZIX-CQSZACIVSA-N 318.421 -0.445 30 20 DBED CC(=O)NCCOCCN1C[C@@H]2CCN(C(=O)[C@H](C)C#N)[C@@H]2C1 1187333193 AQNPYXIBGCOBKO-VHDGCEQUSA-N 322.409 -0.169 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)c2cc[nH]c2C)C1 1192078209 CLATXQGZBUSEKG-IACUBPJLSA-N 320.393 -0.211 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@H]1CCN(C(=O)Cc2cnc[nH]2)C1 1192558302 BQGMKRFVRONGEN-JSGCOSHPSA-N 317.393 -0.377 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@H](C)NC(=O)C2CCCC2)C1 1193166613 NQXVPRZRPFXTSV-IACUBPJLSA-N 307.394 -0.524 30 20 DBED CC#CCN(C)[C@H]1CCN(C(=O)COCc2nncn2C)C1 1193205309 RDEYFBYAVCBYGW-ZDUSSCGKSA-N 305.382 -0.112 30 20 DBED COCC#CCN1CCCN(C(=O)c2ccc(O)nn2)CC1 1194747091 RWSCETKQSGGGIU-UHFFFAOYSA-N 304.350 -0.020 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)CCc2ncccn2)C1 1197097586 GWNGDGMHPYJLRJ-ZIAGYGMSSA-N 320.393 -0.227 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)CNC(=O)c2ccccn2)C1 1198970438 LRTCJRAPXAVYJM-ZIAGYGMSSA-N 318.377 -0.451 30 20 DBED CN(C)[C@H](C(=O)N[C@@H]1CN(CC#N)C[C@H]1O)c1cccnc1 1199162911 BLXWCVSPCAUYPY-MCIONIFRSA-N 303.366 -0.631 30 20 DBED CN(C)[C@@H](C(=O)N[C@@H]1CN(CC#N)C[C@H]1O)c1cccnc1 1199162913 BLXWCVSPCAUYPY-MGPQQGTHSA-N 303.366 -0.631 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)c2cc(CC)[nH]n2)CC1 1199379253 AXZLVNWWKIBART-UHFFFAOYSA-N 317.393 -0.084 30 20 DBED C=CCOCCNC[C@H]1CN(C(=O)Cn2cnnn2)CCCO1 1199786897 IINBTYBEFKBOKY-ZDUSSCGKSA-N 324.385 -0.917 30 20 DBED COCCOC[C@H](O)CNC1CCN(C(=O)[C@@H](C)C#N)CC1 1199815379 AKCPHYGJVGQVHO-GXTWGEPZSA-N 313.398 -0.249 30 20 DBED CCN1C[C@H](C(=O)N2CCCO[C@@H](CNCC#N)C2)CC1=O 1200634198 BBXKSAYWETVAST-OLZOCXBDSA-N 308.382 -0.415 30 20 DBED C#CCCNC[C@H]1CN(C(=O)CN2CCCNC2=O)CCCO1 1200880243 HFWWWXOLQASTHF-AWEZNQCLSA-N 322.409 -0.368 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)c2nc[nH]n2)CCCO1 1201658459 CJKVFWRQLPVJSZ-GFCCVEGCSA-N 307.354 -0.725 30 20 DBED COCC#CCNC1CCN(C(=O)c2cn(C)c(O)n2)CC1 1202322757 JFPFKJGFGMETPR-UHFFFAOYSA-N 306.366 -0.030 30 20 DBED CCCCS(=O)(=O)NCC(=O)N1CCC(NCC#N)CC1 1203518054 ORUQABJDQGHQMJ-UHFFFAOYSA-N 316.427 -0.190 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN([C@H](C)c2nnnn2C)C[C@H]1C 1206960244 ZSSPNOIPDDQLJN-JHJVBQTASA-N 320.397 -0.253 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)CN(C)C(C)=O)C1 1207440317 APNFHPTWWDPHSD-TZMCWYRMSA-N 324.425 -0.264 30 20 DBED CC[C@@H](C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C)N(C)C 1208699440 RFQPJPBCBJNAFD-UPJWGTAASA-N 309.414 -0.597 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1OC 1212189202 XSQUZIMVFYQGTN-CHWSQXEVSA-N 306.366 -0.755 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)c2cnco2)[C@H](OC)C1 1213237491 OGZWQBZWSRNUMM-DMDPSCGWSA-N 320.349 -0.759 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)[C@@H]2C[C@H]2C2CC2)[C@H](OC)C1 1213553673 AJDWKPYCMVOQOG-GBJTYRQASA-N 319.405 -0.403 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)CNC(=O)c1ccccc1 1213763570 ZOKZIWUKLAFGIR-ZIAGYGMSSA-N 316.361 -0.245 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CCCn1ccnn1 1218101741 WIIMVUMCJZNBHE-LSDHHAIUSA-N 317.393 -0.007 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)C(C)(C)C(C)C)C1 1219698681 UOKAAZTTWAIOFO-MCIONIFRSA-N 323.437 -0.032 30 20 DBED N#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2C2CCC2)C1 1220517178 ZPCKVPACHUYIDJ-DGAVXFQQSA-N 320.393 -0.776 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H](CC)CC(C)C)C1 1220707995 GWOGQWHHKAOTHV-ZNMIVQPWSA-N 323.437 -0.031 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)CS(=O)(=O)CCC)C1 1220996262 OFFZGQISAWFKPE-NEPJUHHUSA-N 304.412 -0.451 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](NC(=O)C(C)(C)NC(=O)NC)C1 1221075456 BDDOYBBXAHJHLQ-NEPJUHHUSA-N 312.414 -0.179 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC(NC(=O)CCN(C)C)CC1 1229008493 OMCDUJQSSXTZNO-ZDUSSCGKSA-N 308.426 -0.343 30 20 DBED C[C@@H](C(=O)N(C)C[C@@H]1CCN1CC(=O)NCC#N)n1cccn1 1230850276 ZYDHHVVSBRPLKC-STQMWFEESA-N 318.381 -0.383 30 20 DBED C=CCOCC(=O)N(C)C[C@H]1CCN1CCS(C)(=O)=O 1231235107 YSQIDTKIAUPTMG-GFCCVEGCSA-N 304.412 -0.234 30 20 DBED CC[C@@H](C)OCC(=O)N(C)C[C@@H]1CCN1CC(=O)NCC#N 1233714308 BNRMPRVJSPNUEI-OLZOCXBDSA-N 310.398 -0.026 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)C1CC(OC)C1 1235631815 BVZQYSCXVDFUMG-ROKHWSDSSA-N 307.394 -0.307 30 20 DBED N#C[C@@H](C(=O)Cc1ccoc1)C(=O)N1CCS(=O)(=O)CC1 1263292321 BYOJCMYPDOIIJA-NSHDSACASA-N 310.331 -0.212 30 20 DBED C#CCNC(=O)CN1CCC[C@@H](NC(=O)c2ccnc(O)c2)C1 1316941117 OQEWBQICARKETI-CYBMUJFWSA-N 316.361 -0.269 30 20 DBED C=CCNC(=O)CNC(=O)N1CCC(S(C)(=O)=O)CC1 1320670411 TVMSCTPLTATUGK-UHFFFAOYSA-N 303.384 -0.493 30 20 DBED CN1C(=O)CC[C@@H](NC(=O)C(=O)N2CCC[C@@](C)(C#N)C2)C1=O 1325953239 OBJWZXCGGYDDQE-BMIGLBTASA-N 320.349 -0.598 30 20 DBED CN(C(=O)C(=O)NCC1CCC(C#N)CC1)[C@@H]1CCNC1=O 1326174548 LHPDUOVEIZRTIE-HTAVTVPLSA-N 306.366 -0.221 30 20 DBED C#CCOCCNC(=O)C(=O)NCc1ccn2ccnc2c1 1326787274 RWVNZZBOJGAUPX-UHFFFAOYSA-N 300.318 -0.284 30 20 DBED CC1(C)OC[C@H](CNC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)O1 1326897027 BHDPMPXSMRMRFJ-HZMBPMFUSA-N 311.338 -0.869 30 20 DBED CN(CC(C)(C)CN)C(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1329830872 HCUOZHKVSGKJRA-CYBMUJFWSA-N 321.425 -0.372 30 20 DBED N#CCc1cccc(NC(=O)C(=O)N2C[C@@H](CO)[C@H](CO)C2)c1 1330071528 OKGAJVQQLLTMBH-STQMWFEESA-N 317.345 -0.250 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)N[C@H]2CCCNC2)CCN1C1CC1 1331185136 IJXBLGPOFGRAMP-AAEUAGOBSA-N 305.382 -0.947 30 20 DBED C=CCn1c([C@H](O)COC)nnc1N1CCN(C)C(=O)[C@@H]1C 1342472197 OMVLKSIKZKXDNJ-WDEREUQCSA-N 309.370 -0.189 30 20 DBED COCCNC(=O)[C@@H](C#N)C(=O)c1ccc(C(=O)OC)n1C 1342612468 SYMLBJDREZJDMQ-VIFPVBQESA-N 307.306 -0.103 30 20 DBED Cn1c(=O)[nH]c(N2CCO[C@@H]([C@H]3CCCO3)C2)c(C#N)c1=O 1363149476 RBMRFUHKCINSIY-GHMZBOCLSA-N 306.322 -0.671 30 20 DBED C[C@@H](CC(N)=O)C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N 1363503983 MLYJRRJMEWAIDV-QMMMGPOBSA-N 306.326 -0.432 30 20 DBED CN(Cc1nnc2n1CCN(C)C2=O)C(=O)c1cc(C#N)c[nH]1 1363580094 JUMPEUQXQBUWJW-UHFFFAOYSA-N 313.321 -0.164 30 20 DBED CNC(=O)c1cccc(CNc2[nH]c(=O)n(C)c(=O)c2C#N)c1 1364153165 SXHSBKOOVMLLTL-UHFFFAOYSA-N 313.317 -0.083 30 20 DBED N#CCc1ccnc(NC(=O)NC[C@H](O)Cn2ccnn2)c1 1364410090 SJUXAUPJXBCDFG-NSHDSACASA-N 301.310 -0.078 30 20 DBED CO[C@@H]1CC[C@H](NC(=O)NCCn2cc(C#N)c(O)nc2=O)C1 1365372499 SZVRJQZBEHJFNT-WDEREUQCSA-N 321.337 -0.313 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)CCN2CCOCC2)C1 1372282332 OWPPAYCKIUETHX-STQMWFEESA-N 308.382 -0.415 30 20 DBED CCCN(CCNC(=O)c1c[nH]c(=O)cn1)C(=O)[C@H](C)C#N 1374162694 NIAAHUQGGWZCIE-SNVBAGLBSA-N 305.338 -0.102 30 20 DBED CCc1nn(C)cc1C(=O)N(C)C[C@H](O)CNC(=O)[C@H](C)C#N 1384229896 UNHRRZSQGSAUJW-GHMZBOCLSA-N 321.381 -0.309 30 20 DBED C[C@@H](C#N)C(=O)NCC1CN(C(=O)CCCC(=O)N(C)C)C1 1387927534 XGDPZKZQLFQNBV-NSHDSACASA-N 308.382 -0.021 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CCCCN2C(N)=O)C1 1397220597 CGUVLYNCDRMLJF-DDHJBXDOSA-N 321.381 -0.157 30 20 DBED CCN(CCC#N)C(=O)CN[C@H](C)CNC(=O)c1ccnn1C 1398905276 ZZYSCFBLNAZWKC-GFCCVEGCSA-N 320.397 -0.110 30 20 DBED C[C@H](C#N)C(=O)NCCN1CCN(Cc2ncnn2C)CC1 1402103113 NPMRBDCLMOHVDU-GFCCVEGCSA-N 305.386 -0.791 30 20 DBED C=C(Cl)CN1CCC[C@@H]1CNC(=O)Cn1ncn(C)c1=O 1404000381 KOQFMVUDWVTJKZ-LLVKDONJSA-N 313.789 -0.085 30 20 DBED CCOC(=O)[C@H](C)NC(=O)CCn1cc(C#N)c(O)nc1=O 1412451833 GRKAEPZPCCJMQR-QMMMGPOBSA-N 308.294 -0.722 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1cccc2c[nH]nc12 1416779308 RFRNGDSDLTWZNH-KOLCDFICSA-N 315.333 -0.071 30 20 DBED CN(C(=O)c1cn(C[C@@H]2CNC(=O)O2)nn1)C1(C#N)CCC1 1416922657 WGAXBHWSCUIVIQ-VIFPVBQESA-N 304.310 -0.095 30 20 DBED CCN(CCC#N)C(=O)CN[C@@H](C)CNC(=O)c1cnn[nH]1 1419788349 NZDDOVDJTKIYTK-JTQLQIEISA-N 307.358 -0.725 30 20 DBED CCC(=O)N[C@H](C)C(=O)NC1CN(C(=O)c2cc(C#N)c[nH]2)C1 1430225003 ZHAJTCTXHDQHFI-SECBINFHSA-N 317.349 -0.258 30 20 DBED Cc1nn(C)cc1CC(=O)NC[C@H](O)CNC(=O)[C@H](C)C#N 1433305831 OVZJEAHNNRVENW-SKDRFNHKSA-N 307.354 -0.976 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@](C)(NC(=O)CN2CCCC2=O)C1 1434160153 XOGNDYYFGWPKQJ-NHYWBVRUSA-N 306.366 -0.124 30 20 DBED C[C@@H](C#N)C(=O)NC1CC(N(C)C(=O)c2cnn(C)c2N)C1 1445017420 MQBZLKDATLUIFL-IDKOKCKLSA-N 304.354 -0.119 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](C1CC1)N(C)C(=O)CN1CCOCC1 1450811614 IMEJAEBLLZLHSO-GXTWGEPZSA-N 322.409 -0.169 30 20 DBED N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@H]2C[C@@H](CO)C2)cc1 1454744027 RGNZWKCPTQFABF-TXEJJXNPSA-N 323.374 -0.276 30 20 DBED COc1c(C(=O)N2CC(NC(=O)[C@@H](C)C#N)C2)c(C)nn1C 1456391695 GFXLKXVXJVBPNB-QMMMGPOBSA-N 305.338 -0.163 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)Cc2csc(C)n2)C1 1479970479 YXAMSFJAJKTPOA-GFCCVEGCSA-N 320.418 -0.066 30 20 DBED C[C@H](C#N)C(=O)N1CC(CNC(=O)COCc2ccnn2C)C1 1530801448 DUBJHQJNLQQSJH-LLVKDONJSA-N 319.365 -0.329 30 20 DBED CCOC1CC(O)(CNc2cnc(C#N)c(-c3nn[nH]n3)n2)C1 1570919097 YROQHKXOPVGLHH-UHFFFAOYSA-N 316.325 -0.130 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)CNC(=O)O)C[C@H]1C 1573368035 GYZYAPPANOXLPY-GHMZBOCLSA-N 312.370 -0.617 30 20 DBED N#C[C@]12CN(C(=O)C3(C(=O)O)CC=CC3)C[C@H]1CS(=O)(=O)C2 1574480179 YCIYSDSFWOAOGJ-GXFFZTMASA-N 324.358 -0.196 30 20 DBED CCN(CCNC(=O)[C@@H](C)C#N)c1cnc(-c2nn[nH]n2)cn1 1577924196 WGZJZZXJSGCHML-VIFPVBQESA-N 315.341 -0.241 30 20 DBED CN(CCC#N)S(=O)(=O)NCc1cncc(-c2nn[nH]n2)c1 1579106796 VGPHPIAYIAIKNV-UHFFFAOYSA-N 322.354 -0.558 30 20 DBED O=C1c2ccccc2C(=O)N1CC#CCN1CCNC[C@H]1CO 1580859061 SXDDMLSDMSIMGG-ZDUSSCGKSA-N 313.357 -0.448 30 20 DBED C#CC[C@@H](NC(=O)[C@H]1CCC(=O)N(c2cnn(C)c2)C1)C(=O)O 1588405533 HFZGTJZWRZPXIM-CMPLNLGQSA-N 318.333 -0.244 30 20 DBED C#CCN(CC(=O)O)C(=O)c1cc(S(N)(=O)=O)oc1C 1588416185 INUZPKAMISYUMZ-UHFFFAOYSA-N 300.292 -0.605 30 20 DBED C=CCNC(=O)CN[C@H]1C[C@H](CNC(=O)[C@@H]2C[C@@H]2C(=O)O)C1 1588844697 OZPIRNFFWNIOLW-KKOKHZNYSA-N 309.366 -0.506 30 20 DBED O=C(O)c1cn([C@@H]2CCCN(C(=O)NCC#CCO)C2)nn1 1602492408 BURZOQKMWPUIES-SNVBAGLBSA-N 307.310 -0.682 30 20 DBED C[C@H](Cn1c(N)nc(C#N)c1-c1nn[nH]n1)CS(C)(=O)=O 1609116304 GUWGNFVPAFPOOD-ZCFIWIBFSA-N 310.343 -0.802 30 20 DBED C=CCN1CCC(NC(=O)C(=O)N2CC[C@@H](C(=O)O)C2)CC1 1609636786 CPGSETWAMKOPBO-LLVKDONJSA-N 309.366 -0.314 30 20 DBED C=C(C)CCN(C)CCCNC(=O)Cn1ccc(=O)n(C)c1=O 1751985011 FNPXWLQDLUGIPE-UHFFFAOYSA-N 322.409 -0.049 30 20 DBED C=CCNC(=O)CN[C@H]1C[C@@H](NC(=O)c2cncc(OC)n2)C1 1752768083 CMIDJCLWFOKYMA-PHIMTYICSA-N 319.365 -0.362 30 20 DBED COCC#CCN1CC(NC(=O)c2c(OC)ncnc2OC)C1 1753395020 USLQMEZSIBPNEK-UHFFFAOYSA-N 320.349 -0.442 30 20 DBED C=CCNC(=O)CN1CC(CNC(=O)Cn2cc(C)cn2)C1 1753396922 GJNAVGUIJKTVBY-UHFFFAOYSA-N 305.382 -0.458 30 20 DBED N#CCNC(=O)CN1CC(CNC(=O)[C@@H]2C[C@H]3C=C[C@H]2O3)C1 1753405305 JDEMABFDZMVCTL-JHJVBQTASA-N 304.350 -0.982 30 20 DBED C#CCNC(=O)CN(C)CCN(C)C(=O)c1cc(CC)n(C)n1 1753869861 IIPFKMQQZJJXAE-UHFFFAOYSA-N 319.409 -0.264 30 20 DBED C=C(C)CCNC[C@@H](O)CNC(=O)c1nccnc1C(N)=O 1753935870 NHNPABVXYZRKKA-SNVBAGLBSA-N 307.354 -0.778 30 20 DBED C=CCNC(=O)[C@H](C)NC/C=C\CNC(=O)c1cnn(C)c1 1754094299 NEPNKAGOVUTOOE-FJOGCWAESA-N 305.382 -0.014 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@H]1CCN1CCN1C(=O)CCC1=O 1754480541 JBRFHSQVXDRHMO-BLLLJJGKSA-N 323.393 -0.347 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CNC(=O)CCc1nccn1C 1754498948 FLBUKMJNTYCZQO-ZDUSSCGKSA-N 317.393 -0.707 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(N[C@H](C)c2nnnn2C)CC1 1754513039 FJNSAKPBMQTRRR-ZWNOBZJWSA-N 308.386 -0.163 30 20 DBED C#CCNC[C@@H]1CCCN1C(=O)CCC(=O)N1CCOCC1 1754621542 LFPKQICSCQEOHQ-AWEZNQCLSA-N 307.394 -0.161 30 20 DBED C#CCNC(=O)CN1CCOC[C@@H]1CNC(=O)c1nccs1 1754972136 FPIGOUMSPHVMIP-NSHDSACASA-N 322.390 -0.677 30 20 DBED Cc1nnc(CC(=O)NC[C@@H]2CCC3(CN(CC#N)C3)O2)o1 1755054842 WKDPVKIQBKRQCJ-NSHDSACASA-N 305.338 -0.206 30 20 DBED C=CCNC(=O)CN[C@H]1CN(C(=O)Cc2cnn(C)c2)C[C@@H]1C 1755104500 FLLFDVDPVAOYIO-JSGCOSHPSA-N 319.409 -0.299 30 20 DBED C#CCNCC1(O)CCN(C(=O)c2ccoc2CC(N)=O)CC1 1755153042 YGTNOTKOSXZFKE-UHFFFAOYSA-N 319.361 -0.503 30 20 DBED CCCN1CCC[C@H]1C(=O)NC[C@H](C)N(C)CC(=O)NCC#N 1755301389 KXCIEQXXBHZCPW-KBPBESRZSA-N 323.441 -0.063 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@H](CO)NCC(=O)NC(C)(C)C 1755624911 AZNSPWNNOXDERH-ABAIWWIYSA-N 315.414 -0.705 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2ccnn2C)[C@@H]1C 1755651348 CPZDKQVDZKACAV-NEPJUHHUSA-N 303.366 -0.638 30 20 DBED CC(C)C#CC(=O)NCC1[C@@H]2CN(C(=O)c3cnn(C)n3)C[C@@H]12 1756199456 WYTKVWIYWZMAMI-STQMWFEESA-N 315.377 -0.091 30 20 DBED C#Cc1ccc(C(=O)N[C@@H](CO)CNC(=O)CCOC)cc1 1756501127 LHIRMQJZEPBLJS-CQSZACIVSA-N 304.346 -0.089 30 20 DBED C#CCCCC(=O)N[C@@H]1CC[C@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 1757369704 NUMXBTRJMGGOJR-XQQFMLRXSA-N 320.393 -0.128 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cnsn1)CCO2 1783047367 AHWNCVHJOKJLRM-ZDUSSCGKSA-N 306.347 -0.385 30 20 DBED CC(C)[C@@H](S)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(O)O 1792897496 QSQPEBFRYLFKTH-LMLFDSFASA-N 316.423 -0.110 30 20 DBED CCOCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CC1 1795407881 BBPXHAFISYQVBH-DABQJJPHSA-N 321.377 -0.084 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(N)s1 1795688522 ZMNKOPRDFKRAHW-BZBKMWRSSA-N 320.374 -0.438 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)[C@H]1CCCN(C(N)=O)C1 12691549 NYRJRPPEDHNVRT-VIFPVBQESA-N 312.326 -0.668 30 20 DBED CC(C)[C@H](C#N)N1CCN(C(=O)CN(CC(N)=O)C(C)C)CC1 92617021 XZMLKMCLOXNDBU-AWEZNQCLSA-N 323.441 -0.126 30 20 DBED C/N=C(/NCC(=O)NC1CC1)N1CCN(C[C@@H]2CCOC2)CC1 261828463 VDBMDLCSJVEYCB-ZDUSSCGKSA-N 323.441 -0.506 30 20 DBED C[C@@H]1CN(c2c(C#N)c(=O)n(C)c(=O)n2C)C[C@@H](C2CC2)O1 280471043 MZEVIAQBDGLGNJ-SKDRFNHKSA-N 304.350 -0.041 30 20 DBED C=CCN(C)C(=O)C(=O)NCCCN(C)S(=O)(=O)CC 284099861 OJLOZCKMDBXSSA-UHFFFAOYSA-N 305.400 -0.581 30 20 DBED CCOCCS(=O)(=O)NCC(=O)Nc1[nH]nc(C)c1C#N 290434719 NILLHOQSEBOKEA-UHFFFAOYSA-N 315.355 -0.516 30 20 DBED COc1ncc(S(=O)(=O)N2CCN(CC#N)CC2)s1 311951998 LRRDMRKMCWDYFY-UHFFFAOYSA-N 302.381 -0.018 30 20 DBED CC/N=C(/O)N1CC[C@H](N/C(O)=N/C[C@@H]2CN(C)CCO2)C1 329931100 BCCUNDDKZUWVIH-NWDGAFQWSA-N 313.402 -0.171 30 20 DBED C=CCNC(=O)NC(=O)CN1C[C@@H](SC)[C@H](N(C)C)C1 334008911 IIRCZDSWKOGMDM-GHMZBOCLSA-N 300.428 -0.024 30 20 DBED C=CCNC(=O)NC(=O)CN1C[C@H](N(C)C)[C@H](SC)C1 334008913 IIRCZDSWKOGMDM-WDEREUQCSA-N 300.428 -0.024 30 20 DBED COC(=O)C[C@H]1CCCN1S(=O)(=O)N1CCO[C@H](C#N)C1 336931321 BOUASUKCQPWBIF-GHMZBOCLSA-N 317.367 -0.517 30 20 DBED C[C@@H]1COC(C)(C)CN1S(=O)(=O)N1CCO[C@@H](C#N)C1 337159090 RJNKMTVIXKNNLE-MNOVXSKESA-N 303.384 -0.045 30 20 DBED CS(=O)(=O)N1CCC[C@@H]1CNS(=O)(=O)CCCC#N 338160382 VGOGDQZJOGNRCF-SNVBAGLBSA-N 309.413 -0.366 30 20 DBED C[C@H](NC(=O)NCCn1cnc(C#N)n1)C(=O)N1CCCCC1 344533137 NZONGHYPILKLRN-NSHDSACASA-N 319.369 -0.150 30 20 DBED CCOC(=O)[C@@](C)(O)CNS(=O)(=O)c1cncc(C#N)c1 352188778 IOUKILGKOCPMNI-LBPRGKRZSA-N 313.335 -0.454 30 20 DBED C=C[C@H](CO)NC(=O)C(=O)Nc1ccc2c(c1F)CCNC2=O 354682491 BLRLWZNBOAIPTF-MRVPVSSYSA-N 321.308 -0.287 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)N[C@H]2CCC(=O)NC2)cc1 355675453 DBUZQUNWJXPVQQ-LBPRGKRZSA-N 300.318 -0.317 30 20 DBED C[C@H](C(=O)N1CCOC[C@@H]1C#N)N1C(=O)NC2(CCCC2)C1=O 362907226 RKNJRGGZFDAMFY-MNOVXSKESA-N 320.349 -0.010 30 20 DBED N#CCNC(=O)CNC(=O)[C@H]1CN(Cc2ccccc2)CCO1 367734356 OHJMIDVHAMEGAL-CQSZACIVSA-N 316.361 -0.357 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1CCN([C@@H]2CCC[C@@H]2O)CC1 369259134 NHEHYXQDRTXLCI-MJBXVCDLSA-N 324.425 -0.082 30 20 DBED CC1(C)CN(C(=O)CNc2ccc(C#N)cn2)C[C@@H](CO)O1 421931422 HOICTHTYSNBHRI-LBPRGKRZSA-N 304.350 0.363 30 20 DBED COc1cc(C#N)ccc1NC(=O)C(=O)N1CCNC(=O)C1 547415262 FRSGYICUGJZTHN-UHFFFAOYSA-N 302.290 -0.536 30 20 DBED N#CCNC(=O)CNC[C@H](O)COc1cccc([N+](=O)[O-])c1 567494465 HWNWAPANHOSAAB-NSHDSACASA-N 308.294 -0.436 30 20 DBED CNC(=O)N[C@H]1CCN(C[C@@H]2CNc3c(C#N)cnn3C2)C1 581429779 BBRAJYSHGHQTRW-JQWIXIFHSA-N 303.370 -0.200 30 20 DBED C[C@H](COCC1CC1)NS(=O)(=O)N1CCO[C@H](C#N)C1 593654857 XERMLEUHZCUZCA-ZYHUDNBSSA-N 303.384 -0.140 30 20 DBED CCN(CCC#N)S(=O)(=O)N[C@H](CO)[C@@H]1CCCOC1 594784257 QWTFQWQFJZSOCC-VXGBXAGGSA-N 305.400 -0.156 30 20 DBED C=CCCSCCNC(=O)C(=O)N1CCO[C@@H](C(N)=O)C1 595152250 ZEIULRYOQKEQNN-SNVBAGLBSA-N 315.395 -0.875 30 20 DBED CC(C)[C@H](C#N)N1CCN(C(=O)C2=NN3CCCN=C3N2)CC1 597050331 VQKVESHGINRBKZ-LBPRGKRZSA-N 317.397 -0.343 30 20 DBED CNC(=O)[C@H]1CN(C(=O)Nc2ccn(CCC#N)n2)CCO1 611621118 FMTVIHQFAYAZCB-SNVBAGLBSA-N 306.326 -0.225 30 20 DBED C=C[C@H](O)C(=O)N1CCN(c2nccn3cnnc23)[C@@H](C)C1 612683061 JJBDWARPYZAQFT-QWRGUYRKSA-N 302.338 -0.292 30 20 DBED CC(C)OC(=O)CCNS(=O)(=O)N1CCO[C@@H](C#N)C1 619706249 WMMNOZQPIOTKMB-JTQLQIEISA-N 305.356 -0.613 30 20 DBED C=C[C@](C)(O)C(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 668591984 GQCOSEVRHVTXQK-YPMHNXCESA-N 320.411 -0.472 30 20 DBED C#CCOCCNC(=O)c1cnn2c1C[C@@H](CNC(C)=O)CC2 753308909 AVNLDXKJRYVZQL-ZDUSSCGKSA-N 318.377 -0.039 30 20 DBED CNS(=O)(=O)c1cccc(C(C)=NNS(C)(=O)=O)c1 764703985 IWWVCJPYRQBJDH-UHFFFAOYSA-N 305.381 -0.132 30 20 DBED CNC(=O)[C@@H](C#N)C(=O)CNC(=O)c1ccc2c(c1)OCO2 764755573 GVMSXMLNRZUDBW-VIFPVBQESA-N 303.274 -0.400 30 20 DBED COC(=O)c1cc(C(=O)OC)n(CN2CCOC[C@H]2C#N)n1 765699193 ADFLJGPMOBVUGH-SECBINFHSA-N 308.294 -0.362 30 20 DBED C#CCCN1CCC(NC(=O)[C@H](NC(=O)C2CC2)[C@H](C)O)CC1 779522201 YHJAOMXWRNKGGY-SWLSCSKDSA-N 321.421 -0.134 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCC[C@H](N(C)C)C1)[C@H]1CCCO1 809309876 RMVUNEOAMXGBIO-MELADBBJSA-N 307.394 -0.164 30 20 DBED C#CCONC(=O)CNS(=O)(=O)c1c[nH]c2ncccc12 812786486 LMXFTIYETRLQTC-UHFFFAOYSA-N 308.319 -0.478 30 20 DBED C=CCNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[nH]n1 823925369 JDKKNSGBHDANOG-UHFFFAOYSA-N 305.346 -0.068 30 20 DBED C=C[C@H](O)C(=O)NC[C@@H]1CSCCN1C(=O)[C@H](O)C=C 831581797 QTYALWDYKMJZDT-OUAUKWLOSA-N 300.380 -0.860 30 20 DBED C#CCSCCOC(=O)CN1CCN(S(C)(=O)=O)CC1 835440079 UHSKDQCGVDOOTN-UHFFFAOYSA-N 320.436 -0.527 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)c1ccc(S(C)(=O)=O)cc1N 840583565 HZRKPZCJCBJTDM-VIFPVBQESA-N 324.358 -0.033 30 20 DBED C=CCN(CC(=O)OCC)C(=O)Cn1nc2n(c1=O)CCCC2 844356541 BXJUPQKNDPQXQY-UHFFFAOYSA-N 322.365 -0.041 30 20 DBED C#Cc1ccc(C(=O)N2CCN(S(=O)(=O)NC)CC2)cn1 846084838 FMLDUXSIVKDVPR-UHFFFAOYSA-N 308.363 -0.715 30 20 DBED C=C[C@@H](C(=O)OC)N1CCS(=O)(=NS(C)(=O)=O)CC1 846918654 SXBBAROGFYVRHR-VIFPVBQESA-N 310.397 -0.543 30 20 DBED CC(C)[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1CCCN(O)C1=O 848135796 QOVQCRDQASDOKM-BDAKNGLRSA-N 307.372 -0.943 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N1CC[C@@](C)(C(=O)OC)C1 850711705 GJRXXJIBZHUQME-MRXNPFEDSA-N 324.377 -0.104 30 20 DBED CC#CCS(=O)(=O)NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 860720407 CMQVXVKBLGDSCL-JTQLQIEISA-N 322.408 -0.873 30 20 DBED N#Cc1cccc(OCC(=O)N(CCO)CCOCCO)c1 862247010 QDWWGYFOPDCVFQ-UHFFFAOYSA-N 308.334 -0.233 30 20 DBED C=C[C@](C)(O)c1cn([C@H](C)C(=O)N2CCN(C(C)=O)CC2)nn1 881169490 FRCHKLHCPSXPMW-ABAIWWIYSA-N 321.381 -0.077 30 20 DBED C#CC1(O)CN(C(=O)NCC(C)(C)[C@@H]2COCC23OCCO3)C1 895308195 GZIDKQGKWRXFRD-LBPRGKRZSA-N 324.377 -0.208 30 20 DBED C#CCNS(=O)(=O)N1CCN(C[C@H]2CCSC2)CC1 895922092 QMJODBWWLDXAFG-GFCCVEGCSA-N 303.453 -0.175 30 20 DBED C#CCN1CCN(C(=O)COc2ccncc2C(N)=O)CC1 902573193 UZEYQBIEVLMTSZ-UHFFFAOYSA-N 302.334 -0.663 30 20 DBED C#CCN1CCC[C@@H](NC(=O)c2ccc(-n3cnnn3)cn2)C1 923558741 UTDZGVVOBWHMSA-GFCCVEGCSA-N 311.349 -0.115 30 20 DBED C#CCN1CCC[C@H](NC(=O)CCSc2nnnn2C)C1 923583465 CEMTVGGUACEBNM-NSHDSACASA-N 308.411 -0.094 30 20 DBED COc1ccc(C(=O)NCCNC(=O)NCC#CCO)cc1 923785553 WQJLKWRKUVQJHP-UHFFFAOYSA-N 305.334 -0.280 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CN1CCCNC1=O 937517022 YGQRNSSPAPMASB-SRVKXCTJSA-N 319.365 -0.627 30 20 DBED Cn1cnc(C(=O)N[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)n1 937902518 HWJZWFQEQIUQPP-JTQLQIEISA-N 313.321 -0.341 30 20 DBED NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCCN(C(=O)C#CC2CC2)CC1 941004100 OUAHBFYXQLPPGB-OLZOCXBDSA-N 303.362 -0.418 30 20 DBED CO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1NC(=O)c1cnc(C)[nH]1 941359712 ZPUBREAHUJZPLF-XXILOJSOSA-N 305.338 -0.167 30 20 DBED C=CCN1CCN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)CC1 951793617 XVQBROZTKJYTRT-UHFFFAOYSA-N 302.338 -0.599 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H](NC(=O)c2cc(C(N)=O)c[nH]2)C1 951868480 TUQSEFQICUEPPI-MWLCHTKSSA-N 317.349 -0.006 30 20 DBED C#CCCN1C[C@H](CNC(=O)c2cnc(C)nc2OC)[C@@H](O)C1 958121666 JMNNDXUDGRNGLQ-JSGCOSHPSA-N 318.377 -0.161 30 20 DBED C#CCN1C[C@H](CNC(=O)c2ccc3c(c2)nnn3C)[C@@H](O)C1 958182489 BDYBHFFXDJBIFL-WFASDCNBSA-N 313.361 -0.376 30 20 DBED Cc1cc(C(=O)N(C)[C@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)no1 958475988 VLVPBFMSXNKOSY-ZHAHWJHGSA-N 306.322 -0.214 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2cccn3c(O)nnc23)C1 958587133 GLHFZBQEGGPTHC-ZYHUDNBSSA-N 315.333 -0.909 30 20 DBED N#Cc1cc(C(=O)NC2[C@@H]3CN(CCn4cncn4)C[C@@H]23)c[nH]1 958617697 IYOJKJZJHRQVSD-CHWSQXEVSA-N 311.349 -0.162 30 20 DBED C=CCCN1C[C@H]2[C@H](NC(=O)Cn3ccc(O)nc3=O)[C@H]2C1 960867586 SRHARYXVRTYIGL-YABSGUDNSA-N 304.350 -0.429 30 20 DBED Cc1c[nH]c(C(=O)N2C[C@H]3[C@@H](C2)OCCN3C(=O)[C@H](C)C#N)n1 960874750 MWINNGWAFFTRMO-ADEWGFFLSA-N 317.349 -0.070 30 20 DBED Cn1c(C(=O)NC2[C@@H]3CN(CC#N)C[C@@H]23)c2n(c1=O)CCCC2 961768555 CBYBZLFQHSUGJM-GHMZBOCLSA-N 315.377 -0.293 30 20 DBED Cc1cc(C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2O)nn1C 961790914 GPQCEZKEVIWQBN-KGLIPLIRSA-N 316.361 -0.557 30 20 DBED Cc1cc(C(=O)N[C@H]2COC3(C2)CN(C(=O)[C@@H](C)C#N)C3)n[nH]1 965637848 KIPZICPMKOWLGE-GXSJLCMTSA-N 317.349 -0.023 30 20 DBED C[C@H](C#N)C(=O)N1CC2(C[C@@H](NC(=O)Cc3cc[nH]n3)CO2)C1 965663780 UGHSSBTXOSTTTL-ZYHUDNBSSA-N 317.349 -0.402 30 20 DBED C#CCCN1CC[C@@H](C)[C@@H](NC(=O)CN2C(=O)CNC2=O)C1 968626635 BZZYVCAVCQAIOK-NEPJUHHUSA-N 306.366 -0.612 30 20 DBED C[C@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)c1cnn(C)n1)C2 969806596 UEOVNQRMRNAZEO-VWYCJHECSA-N 302.338 -0.210 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)c3nnn(C)c3C)C2)C1 972309758 FKWLKABCKUKYLK-HNNXBMFYSA-N 303.366 -0.326 30 20 DBED CC#CCN1CCO[C@]2(CCN(C(=O)[C@@H]3CCC(=O)NC3)C2)C1 972443104 DTCJLCLMDGTXRA-RHSMWYFYSA-N 319.405 -0.161 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCCN(Cc3nc(=O)n(C)[nH]3)C2)C1 981671803 ISZGDRBFCUGUSM-NSHDSACASA-N 318.381 -0.308 30 20 DBED COCC(=O)N1CCN(C(=O)N2CCN(CC#N)CC2)CC1 985824296 FQJPNCMBFMDBQS-UHFFFAOYSA-N 309.370 -0.962 30 20 DBED C[C@@H]1C[C@@H](NCC#N)CN1C(=O)Cn1nc2n(c1=O)CCCC2 989650235 MRQCFGVSBJEHGW-VXGBXAGGSA-N 318.381 -0.516 30 20 DBED COCC(=O)N1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@H](O)C1 991405077 UFFIRVOIFNGNAT-ZYHUDNBSSA-N 306.322 -0.776 30 20 DBED C[C@H](NC(=O)c1nnc(O)nc1O)C1CCN(CC#N)CC1 997659606 OOWCAXCXRSSUNJ-QMMMGPOBSA-N 306.326 -0.363 30 20 DBED C=CCN1CC[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 1015866878 BASAKWLKEPAMRU-JTQLQIEISA-N 302.338 -0.552 30 20 DBED C[C@@H](C#N)C(=O)N1CC=C(CNC(=O)[C@@H]2CCCNC2=O)CC1 1017513939 GNAXVAXWSKTESI-WCQYABFASA-N 318.377 -0.053 30 20 DBED C=C(C)CN[C@H]1C[C@H](NC(=O)CN2CCCS2(=O)=O)C1 1020215247 MZZLIWWNLQGKOQ-HAQNSBGRSA-N 301.412 -0.165 30 20 DBED C=C(Cl)CN[C@H]1C[C@H](NC(=O)CN2CC(=O)NC2=O)C1 1020765408 ZZXVIHBIDVOWIV-KYZUINATSA-N 300.746 -0.473 30 20 DBED CCc1cc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2O)no1 1024922756 JBPWSNIXEKSDPG-GGZOMVNGSA-N 306.322 -0.302 30 20 DBED Cc1cc(=O)c(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2O)c[nH]1 1025456062 GVXBYTVJDYMGOE-XTWCZFFVSA-N 318.333 -0.856 30 20 DBED C=C(C)CN(C)[C@@H]1CCCN(C(=O)c2cn(CC(N)=O)nn2)C1 1027692523 LGSLMBGSTNNRCX-GFCCVEGCSA-N 320.397 -0.124 30 20 DBED Cc1nc(O)nc(O)c1CC(=O)N(C)[C@H]1CCN(CC#N)C1 1033530666 SFXDYOJAUMGZKO-JTQLQIEISA-N 305.338 -0.205 30 20 DBED N#CCN1CCO[C@@H](CNC(=O)[C@H]2CCCCS2(=O)=O)C1 1035393371 ZKSWWLGUXFCQTI-NWDGAFQWSA-N 315.395 -0.706 30 20 DBED C=CCN1CCO[C@@H](CNC(=O)[C@H]2CCS(=O)(=O)C2)C1 1035437797 IOSFHZSYQOVCDQ-RYUDHWBXSA-N 302.396 -0.576 30 20 DBED C#CCN1CCO[C@H](CNC(=O)c2ccn(CCOC)n2)C1 1035442280 KUMHXVGZVXCGQJ-CYBMUJFWSA-N 306.366 -0.407 30 20 DBED N#CCN1CCO[C@H](CNC(=O)c2ccc(C(N)=O)cc2)C1 1035602521 JIDVYUIDNAZXQB-CYBMUJFWSA-N 302.334 -0.260 30 20 DBED C#CCN1CC[C@@H](C2CCN(C(=O)[C@@H]3CNC(=O)N3)CC2)C1 1039155570 TUXYFPIFVWYSMM-KGLIPLIRSA-N 304.394 -0.139 30 20 DBED C#CCNC1C[C@@H]2CCC[C@H](C1)N2C(=O)CN1C(=O)CNC1=O 1039311668 RCSRYINUWFQFTO-YHWZYXNKSA-N 318.377 -0.327 30 20 DBED C=CCN1[C@H]2CCC[C@H]1CN(C(=O)Cn1c(O)nnc1O)C2 1039984264 ULLHSKPLWQXIOH-QWRGUYRKSA-N 307.354 -0.059 30 20 DBED CCc1n[nH]cc1C(=O)NC[C@@]1(O)CCN(C(=O)[C@H](C)C#N)C1 1040262728 JILVXMWHZIELGU-BMIGLBTASA-N 319.365 -0.175 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC[C@](O)(CNC(=O)c2cnon2)C1 1040664430 DDHINXJZAHIBLZ-KGLIPLIRSA-N 324.337 -0.910 30 20 DBED Cc1cnn(CC(=O)N2CC[C@@](O)(CNC(=O)[C@@H](C)C#N)C2)c1 1040764520 WVIBOPMZGAACTD-SWLSCSKDSA-N 319.365 -0.569 30 20 DBED N#Cc1cc(C(=O)N2CC(O)(CNC(=O)CC3CC3)C2)c[nH]1 1041122464 UYEABNABVJPHEF-UHFFFAOYSA-N 302.334 -0.010 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)[C@H]2CCC(=O)NC2)C1 1041973024 ORBCZNHVWGWEND-NSHDSACASA-N 309.366 -0.832 30 20 DBED CC(C)(C)C#CC(=O)N1CC(O)(CNC(=O)Cc2cc[nH]n2)C1 1042259660 NKWURUSMZRVAIR-UHFFFAOYSA-N 318.377 -0.309 30 20 DBED C=CCN1CC[C@H](N2CC(N(C)C(=O)c3ccnn3C)C2)C1=O 1042523868 HTJXHNRCDKWYPR-AWEZNQCLSA-N 317.393 -0.037 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(O)CN(C(=O)c2cn(C)cn2)C1 1042806805 KBDPQNVQUBFHFM-CQSZACIVSA-N 322.365 -0.950 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)C[C@H](C)NC(N)=O)C1 1043049047 VHMGIYLMGAMDSM-JTQLQIEISA-N 312.370 -0.911 30 20 DBED C=CCCOCC(=O)NCC1(O)CN(C(=O)[C@H](C)OCC)C1 1043566592 VZFKXFOYTNKLCW-LBPRGKRZSA-N 314.382 -0.306 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)nn1 1043878664 YIGZRAVYCMIWKV-OLZOCXBDSA-N 323.316 -0.472 30 20 DBED C=C[C@@](C)(CC)C(=O)N1CC(O)(CNC(=O)c2cnn(C)n2)C1 1043886566 NWBOJPOJGVXAMX-AWEZNQCLSA-N 321.381 -0.280 30 20 DBED C=CCN[C@@H]1CCN(C(=O)CN2CCN(C)C(=O)C2)[C@H](C)C1 1044659896 QYDDPJRANPAKMV-ZIAGYGMSSA-N 308.426 -0.085 30 20 DBED N#Cc1nc(=N[C@H]2C[C@@H](CNC(=O)[C@H]3COCCO3)C2)cc[nH]1 1046269619 VCXASECEAIMEHA-GRYCIOLGSA-N 317.349 -0.508 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2nc(C)c(C)[nH]c2=O)C1 1047425930 PPAFPTWHINFVMD-STQMWFEESA-N 318.377 -0.473 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(C(=O)NC)n2)C1 1047614973 KHXVFMSIEAABJH-KBPBESRZSA-N 316.361 -0.809 30 20 DBED CCO[C@@H]1CN(C(=O)C(N)=O)C[C@H]1CNc1ccc(C#N)nn1 1047925972 UPDCWEKBHJOIDG-MWLCHTKSSA-N 318.337 -0.891 30 20 DBED C#CCCN1C[C@H]2CN(C(=O)C[C@@H]3CC(=O)NC3=O)C[C@H]2C1 1049254127 IEBYXHMZUXQNPR-RWMBFGLXSA-N 303.362 -0.547 30 20 DBED CC(C)(C)N1C[C@@H](C(=O)NC[C@@H]2COCCN2CC#N)CC1=O 1050945794 WPYHMOHDWAAEAK-QWHCGFSZSA-N 322.409 -0.026 30 20 DBED CC#CCN1CCOC[C@@H]1CNC(=O)c1ccoc1CC(N)=O 1051083497 HWPGAMZBLMMQNF-LBPRGKRZSA-N 319.361 -0.239 30 20 DBED Cn1nc2c(c1C(=O)NC[C@H]1COCCN1CC#N)CCC2 1051205553 ZALRMXMTFRNROJ-NSHDSACASA-N 303.366 -0.137 30 20 DBED C=C(C)CN1CCOC[C@H]1CNC(=O)c1cn(C)c(=O)nc1O 1051242076 FSWXRBVYOGYACA-LLVKDONJSA-N 322.365 -0.507 30 20 DBED C#CCCN1CCOC[C@@H]1CNC(=O)[C@@H]1COCCN1C(C)=O 1051249611 HBCJGDYWPZUJKQ-GJZGRUSLSA-N 323.393 -0.926 30 20 DBED N#Cc1cncc(N2CC[C@@H](NC(=O)c3cc[nH]n3)[C@@H](O)C2)n1 1051610379 AXHCSMFFXFOUFE-PWSUYJOCSA-N 313.321 -0.559 30 20 DBED NC(=O)CN1CCN([C@H]2CCN(C(=O)C#CC3CC3)C2)CC1 1052027252 ZOGJOZYCGQOSFD-AWEZNQCLSA-N 304.394 -0.896 30 20 DBED C[C@@H](CN1CCOCC1)C(=O)N1CCOC2(CN(CC#N)C2)C1 1053532934 CUZFWPVWBTVVPA-AWEZNQCLSA-N 322.409 -0.609 30 20 DBED N#Cc1cncc(N2CCN(C(=O)[C@H]3COC(=O)N3)CC2)n1 1055786039 VQFQDEIKSZETPG-SNVBAGLBSA-N 302.294 -0.895 30 20 DBED C#CCCCC(=O)N1CCC[C@](CO)(NC(=O)c2cnon2)C1 1056070786 NLSIYANFAVGDAV-HNNXBMFYSA-N 320.349 -0.044 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)c1oncc1C 1057194461 DLYJDOAQVLXHJS-UHFFFAOYSA-N 311.338 -0.264 30 20 DBED C#CCOCCC(=O)N(CCO)CCNC(=O)CSC 1057579744 SJOZSSIBMNJCOA-UHFFFAOYSA-N 302.396 -0.674 30 20 DBED C#CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)c1ccnn1C 1057583108 HBUYTJBLIIKKSE-LBPRGKRZSA-N 322.365 -0.991 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)c1c(C)ncn1C 1057881121 KYHBZYZJEIIUTH-UHFFFAOYSA-N 324.381 -0.518 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)[C@@H]1CCCCN1C 1058040612 VCUFZUQLPDWKGD-OLZOCXBDSA-N 310.398 -0.433 30 20 DBED Cn1nncc1C(=O)N[C@H]1CCCN(c2ccc(C#N)nn2)C1 1058152319 QAZSMUAKKRHORQ-NSHDSACASA-N 312.337 -0.124 30 20 DBED CC(C)[C@@H](C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N)N(C)C 1058655043 OQGOCLLGAXYCLQ-STQMWFEESA-N 312.414 -0.331 30 20 DBED N#Cc1nc(=N[C@H]2C[C@H](NC(=O)C34CCN(CC3)C4)C2)cc[nH]1 1059266029 PEMXEEYLSRKAEU-HAQNSBGRSA-N 312.377 -0.075 30 20 DBED N#Cc1nc(=N[C@H]2C[C@@H](NC(=O)C3=COCCO3)C2)cc[nH]1 1059559824 YCYMLANTFMKVSM-AOOOYVTPSA-N 301.306 -0.283 30 20 DBED Cn1cnc(C(=O)N2CCOC[C@@H]2CNC(=O)C#CC2CC2)n1 1061569222 AJTVAMGXAYPHKH-LBPRGKRZSA-N 317.349 -0.814 30 20 DBED N#Cc1cnc(N2[C@H]3CC[C@H]2CN(C(=O)c2nc[nH]n2)C3)cn1 1061981084 UJMHVTMOLITNOO-QWRGUYRKSA-N 310.321 -0.040 30 20 DBED N#Cc1c[nH]c(C(=O)NCC2(NC(=O)CC(N)=O)CCC2)c1 1062768456 ZFJBRBREPGFPSB-UHFFFAOYSA-N 303.322 -0.470 30 20 DBED N#Cc1nccnc1N1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1cc[n+]([O-])cc1 1064214998 APQTZGSSKLKEAM-KWCYVHTRSA-N 322.328 -0.011 30 20 DBED N#Cc1cncc(N2[C@H]3CCC[C@H]2CN(C(=O)CC(N)=O)C3)n1 1064512688 AGXROAZWIONGRK-RYUDHWBXSA-N 314.349 -0.207 30 20 DBED CCn1ncc(C(=O)N2CCO[C@H](CNC(=O)[C@H](C)C#N)C2)n1 1065117276 LDGBYDGFFXQRME-GHMZBOCLSA-N 320.353 -0.585 30 20 DBED C=CC(C)(C)C(=O)NC[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)CCO1 1065401386 LRFCBUWQOACCBX-NEPJUHHUSA-N 323.393 -0.179 30 20 DBED CN(C(=O)[C@@H]1CCOC1)[C@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1065573088 HFZRCSLKRMNKPY-WXHSDQCUSA-N 317.349 -0.607 30 20 DBED N#Cc1cnc(N2C[C@@H]3CCCN(C(=O)CC(N)=O)[C@@H]3C2)cn1 1066227198 XNYAKVOVYOOEFD-CMPLNLGQSA-N 314.349 -0.349 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC2(CN(C(=O)[C@H](C)OC)CCO2)C1 1068327132 IAPHQVFQCRJMOP-STQMWFEESA-N 324.377 -0.501 30 20 DBED CC(=O)N[C@@H](C)C(=O)N1CC2(C1)CN(C(=O)[C@H](C)C#N)CCO2 1068451914 WLUQLODEFIRAGM-MNOVXSKESA-N 322.365 -0.890 30 20 DBED C#CCNC(=O)CC(=O)N1CC2(C[C@H](NC(=O)CC)CO2)C1 1068642342 SABHONPRUKJZDZ-NSHDSACASA-N 307.350 -0.978 30 20 DBED C[C@H]1C[C@@H](N=c2cc[nH]c(C#N)n2)CN1C(=O)c1cn(C)nn1 1069087648 SCRBJLVDIITAIK-VHSXEESVSA-N 312.337 -0.386 30 20 DBED CC#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)C2=COCCO2)C1 1069892873 TZOKRNJBCOKONJ-OLZOCXBDSA-N 317.349 -0.469 30 20 DBED C=CCN[C@@H]1CN(C(=O)[C@H]2CCCC(=O)N2)C[C@@H]1n1ccnn1 1070218738 QSDNPVNQLJWELV-UPJWGTAASA-N 318.381 -0.526 30 20 DBED CC(C)C#CC(=O)N1CCC[C@@H](NC(=O)[C@H]2CN(C)C(=O)N2)C1 1070701333 LJNJKDRLGJKZPM-CHWSQXEVSA-N 320.393 -0.223 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC[C@@H](NC(=O)CNC(=O)NC)C1 1070731931 QJTHFTDYQMLIAD-VXGBXAGGSA-N 324.381 -0.939 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CCCN(C(=O)Cn2nccn2)C1 1070791762 USHYIPLNKGQLHW-CHWSQXEVSA-N 321.381 -0.024 30 20 DBED Cn1oc(C(=O)N2C[C@H]3C[C@@H]4CN(CC#N)C[C@]3(C2)O4)cc1=O 1070792377 UWMOBJBPVBWNMR-UEKVPHQBSA-N 318.333 -0.583 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)[C@H]4CCCNC4=O)C[C@@]3(C1)O2 1070812161 ZBWAOCMBFNOCDH-QDEZUTFSSA-N 317.389 -0.553 30 20 DBED C=CCN1C[C@@H]2OC(=O)N([C@@H]3CCN(C(=O)CC(N)=O)C3)[C@@H]2C1 1070907059 LNUPNBSYJSYPPC-UTUOFQBUSA-N 322.365 -0.846 30 20 DBED N#CCN1CCNC(=O)CCN(C(=O)c2ccc(C#N)[nH]2)CC1 1070956419 OIMXAQMJUREPGO-UHFFFAOYSA-N 314.349 -0.326 30 20 DBED C[C@@H]1CC[C@H](NC(=O)c2cn(C)c(=O)nc2O)CN1CC#N 1072070115 NNPRWXUVWGAZAC-ZJUUUORDSA-N 305.338 -0.408 30 20 DBED C#CCOCCC(=O)N[C@H]1CN(C(=O)Cc2ncc[nH]2)C[C@H]1C 1072602267 GDCYEWPYJTXBER-OLZOCXBDSA-N 318.377 -0.045 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CCN(C(=O)Cn2ncnn2)CC1(C)C 1073485630 XPROFEIPLMMMOD-WDEREUQCSA-N 319.369 -0.424 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)c2cc(OC)ncn2)C1 1073605493 LZASSJSGCBGRSL-GFCCVEGCSA-N 304.350 -0.061 30 20 DBED N#CCN1CCO[C@H]2CCN(C(=O)c3coc(C(N)=O)c3)C[C@H]21 1074302594 SYZMPDIUDQTYGZ-NEPJUHHUSA-N 318.333 -0.183 30 20 DBED C#CCOCCC(=O)NCC[C@H](C)NC(=O)c1ncn(C)n1 1076503859 AEKGGNYUIDUQKU-NSHDSACASA-N 307.354 -0.520 30 20 DBED N#CCN1C[C@@H]2CCN(C(=O)[C@@H]3CCc4nncn4C3)[C@@H]2C1 1076600567 LBUXWONBFXXUTJ-YNEHKIRRSA-N 300.366 -0.103 30 20 DBED C=CCO[C@@H](C)C(=O)NCC[C@H](C)NC(=O)Cn1cncn1 1077067983 PTDLWAWYAGZUEQ-RYUDHWBXSA-N 309.370 -0.120 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC(=O)N(CCC)C2)C1 1077757145 XDNYUIRESRJFTL-BFHYXJOUSA-N 309.410 -0.018 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)c2cccc(C(=O)NC)n2)C1 1078098868 JFADNUGLETZEHQ-ZIAGYGMSSA-N 316.361 -0.761 30 20 DBED CCN(C(=O)Cn1ncnn1)C1CN(C(=O)C#CC2CC2)C1 1079829780 YXWHKTXOZOEEEE-UHFFFAOYSA-N 302.338 -0.854 30 20 DBED C=CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)Cn2cnnn2)C1 1079979782 OEPKUVNVSFUONB-LLVKDONJSA-N 322.369 -0.677 30 20 DBED C=CCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)CNC(N)=O)C1 1079979835 OZYSQUGQMGTCBY-JTQLQIEISA-N 312.370 -0.695 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)CCCC(N)=O)C[C@H]1O 1081332022 ABOGTZWUXDDSNG-VXGBXAGGSA-N 311.382 -0.456 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(C(=O)c2ccnnc2)C[C@H]1O 1081475315 ZOIYJFSHAMXSDS-UONOGXRCSA-N 314.345 -0.561 30 20 DBED O=C(Cc1cnc[nH]1)NC[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1081799849 BQWDIYBTBMZMSU-GXTWGEPZSA-N 316.361 -0.699 30 20 DBED C#CCCN1C[C@@H](NC(=O)[C@H](C)N2CCOCC2)[C@H](OC)C1 1082400464 ZGTIDOXNRVQDJY-RRFJBIMHSA-N 309.410 -0.454 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2nn(C)c3c2CCCC3)C1 1083795267 QHOQBWRSJOUCOH-OCCSQVGLSA-N 302.378 -0.293 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)c2nc3ncccn3n2)C1 1083877480 ZUHGXHRBEPFPHM-MNOVXSKESA-N 302.338 -0.525 30 20 DBED CC#CCN1CC[C@@H]2CCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C[C@@H]21 1085045362 KIZWXECZKBRUOG-AGIUHOORSA-N 318.377 -0.469 30 20 DBED COCCN1C[C@@H](C(=O)NC[C@H]2C[C@@H](NCC#N)C2)CC1=O 1086100950 VCRZRZWRCAVOFK-RWMBFGLXSA-N 308.382 -0.511 30 20 DBED CN(C)c1cnc(C(=O)N[C@H]2CCN(CC#N)C[C@H]2O)cn1 1090265097 JTWDZMIVQHRONG-CMPLNLGQSA-N 304.354 -0.769 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)c2nnc(O)nc2O)[C@@H](O)C1 1090397019 QTTRGTRXMBWOOR-BDAKNGLRSA-N 309.326 -0.976 30 20 DBED C#CCCN1CC[C@@H](NC(=O)Cc2cn(CC)nn2)[C@H](O)C1 1090443545 YGCPQKSERCHEAN-ZIAGYGMSSA-N 305.382 -0.585 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2cccn3c(O)nnc23)[C@@H](O)C1 1090722553 NRAUVWLDGWDXHE-NEPJUHHUSA-N 315.333 -0.767 30 20 DBED Cn1ncc(C(=O)N[C@@H]2CCN(CC#N)C[C@@H]2O)c1C1CC1 1090851626 GPYFWLPTHSHFAH-OLZOCXBDSA-N 303.366 -0.014 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1CNC(=O)[C@H]1CCc2nnc(O)n2C1 1092743307 PAFPHTDFSMYSPJ-GRYCIOLGSA-N 318.381 -0.246 30 20 DBED CC(=O)N[C@H](C)C(=O)N1CCN(c2ccnc(C#N)n2)CC1 1093130848 ISIVVSZYZTUHPS-SNVBAGLBSA-N 302.338 -0.479 30 20 DBED C[C@H](CC(N)=O)C(=O)N[C@H]1[C@@H]2CN(c3nccnc3C#N)C[C@@H]21 1093332198 YIHJEQJBSBUDMQ-DNJQJEMRSA-N 314.349 -0.589 30 20 DBED N#Cc1cnc(N2C[C@H]3C(NC(=O)C4(C(N)=O)CC4)[C@@H]3C2)cn1 1093357074 RVZCKMMXEPIQKG-NXEZZACHSA-N 312.333 -0.835 30 20 DBED Cc1cc(C#N)nc(NCCNC(=O)c2cn(C)c(O)n2)n1 1094091056 IKPQNIHNTWKRGS-UHFFFAOYSA-N 301.310 -0.062 30 20 DBED C#CCCN1CC(N2C[C@@H](NC(=O)[C@@H]3CCOC3)CC2=O)C1 1094708751 FSCWSDZFGDISLA-OLZOCXBDSA-N 305.378 -0.553 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)Cc3ccon3)CC2=O)C1 1094713804 IWCIWCUTBHNRRS-GFCCVEGCSA-N 302.334 -0.748 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)[C@@H]3CCN(C)C3)CC2=O)C1 1094814761 HZWVPSURKIDRSP-OLZOCXBDSA-N 306.410 -0.475 30 20 DBED C#CCCN1CC(N2C[C@@H](NC(=O)c3nonc3C)CC2=O)C1 1094820055 DAJQBTGYGCZERO-NSHDSACASA-N 317.349 -0.584 30 20 DBED CNC(=O)NCC(=O)NCCCN(C)c1cnc(C#N)cn1 1095763091 WKOLGMPDIMUJTH-UHFFFAOYSA-N 305.342 -0.780 30 20 DBED CC(=O)NCC(=O)NCCCN(c1nccnc1C#N)C1CC1 1096004114 GJQALFKHZMBREG-UHFFFAOYSA-N 316.365 -0.041 30 20 DBED N#Cc1cnc(N[C@H]2C[C@@H](NC(=O)CCn3cnnn3)C2)cn1 1097208021 DGWMXMVFRLQXGF-AOOOYVTPSA-N 313.325 -0.516 30 20 DBED C[C@@H](CNC(=O)Cn1c(O)nnc1O)Nc1ccc(C#N)nc1 1097976461 ISPXHARXIONDJX-QMMMGPOBSA-N 317.309 -0.427 30 20 DBED C[C@H](CNC(=O)CCn1cnnn1)Nc1ncccc1C#N 1098010177 UCDVSIMPTOTOLZ-SNVBAGLBSA-N 300.326 -0.053 30 20 DBED COCC(=O)N[C@@H](C)C(=O)NC[C@H](C)Nc1cnc(C#N)cn1 1098341733 FSIBRCCIRJUPPL-UWVGGRQHSA-N 320.353 -0.584 30 20 DBED C#CCN(CCO)C1CCN(C(=O)[C@@H]2CC(=O)N[C@@H](C)C2)CC1 1098415056 NWFGIJFZCDVHOG-KBPBESRZSA-N 321.421 -0.180 30 20 DBED Cn1cnn(CC(=O)N[C@]23CCC[C@H]2CN(CC#N)C3)c1=O 1098912384 FUESLJVIEQEPTR-FZMZJTMJSA-N 304.354 -0.924 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)C2(N(C)C)CCC2)[C@H](O)C1 1099872510 VGTNYLNTLABJRR-HUUCEWRRSA-N 323.437 -0.328 30 20 DBED C=CCCN1CC[C@@H](NC(=O)CCCCNC(N)=O)[C@@H](O)C1 1099909613 WOBYOMZYVVDEMN-OLZOCXBDSA-N 312.414 -0.048 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCN(CCCOC)C[C@H]2O)nn1 1100026752 HMMJOEQFBZGEOB-TZMCWYRMSA-N 323.397 -0.334 30 20 DBED CCN(CC)C(=O)CCC(=O)N[C@H]1CCN(CC#N)C[C@H]1O 1100121462 AJCUKKBYDHAXPD-QWHCGFSZSA-N 310.398 -0.290 30 20 DBED C#CCCCC(=O)NCC1CC(NCCNS(C)(=O)=O)C1 1100284445 OUQPKZIVMWYDES-UHFFFAOYSA-N 315.439 -0.177 30 20 DBED COCC(=O)N(C)CC(=O)NCCN(C)c1ccc(C#N)nn1 1100374717 BLYXWAXHLJADMT-UHFFFAOYSA-N 320.353 -0.995 30 20 DBED CCN(CCNC(=O)[C@H]1COCCN1C)c1nccnc1C#N 1100491545 HUGTVVLDWTVKLK-CYBMUJFWSA-N 318.381 -0.379 30 20 DBED CN(CCNc1nccnc1C#N)C(=O)CCS(C)(=O)=O 1102039306 ZJZHZWGQJZAKBU-UHFFFAOYSA-N 311.367 -0.347 30 20 DBED CC(C)N(CCCNC(=O)CC(N)=O)c1cnc(C#N)cn1 1102086816 ZVHPBAYRGXBJJD-UHFFFAOYSA-N 304.354 -0.055 30 20 DBED CC[C@H](CNC(=O)C1CS(=O)(=O)C1)N=c1cc[nH]c(C#N)n1 1103200415 XMURHXXBEYQPIU-SNVBAGLBSA-N 323.378 -0.879 30 20 DBED CC(=O)NCC(=O)N[C@](C)(CN=c1cc[nH]c(C#N)n1)C1CC1 1103474015 CQFHHEFKIGOMOC-OAHLLOKOSA-N 316.365 -0.397 30 20 DBED CNC(=O)NCC(=O)NC[C@@H](C)CNc1ccc(C#N)nn1 1104246277 OAKYAAOPYFCUKZ-VIFPVBQESA-N 305.342 -0.559 30 20 DBED CNC(=O)[C@@H](C)NCc1cn(C2CN(C(=O)[C@H](C)C#N)C2)nn1 1105189651 JEWHQXTYMBUTHC-NXEZZACHSA-N 319.369 -0.955 30 20 DBED Cc1cc(C#N)nc(N(C)CCN(C)C(=O)[C@@H]2CCNC2=O)n1 1105535392 NTCMIAMGIYOMKI-GFCCVEGCSA-N 316.365 -0.313 30 20 DBED CN(CCN(C)c1ccc(C#N)nc1)C(=O)[C@H]1CNC(=O)N1 1105541421 ZLSHTMYXQXVSLW-GFCCVEGCSA-N 302.338 -0.471 30 20 DBED CN(CCN(C)c1cnc(C#N)cn1)C(=O)[C@]1(C)CCNC1=O 1105557604 VABNCBIIYKKVRY-OAHLLOKOSA-N 316.365 -0.231 30 20 DBED C[C@@H](C(=O)NC[C@@H](O)CNc1cnc(C#N)cn1)n1cccn1 1105768090 VRWBZPJUJLCGQY-JQWIXIFHSA-N 315.337 -0.305 30 20 DBED Cn1cc(CC(=O)NC[C@H](O)CNc2ncccc2C#N)cn1 1105782833 PZHMEJXPMTWPGD-ZDUSSCGKSA-N 314.349 -0.182 30 20 DBED CCNC(=O)CC(=O)NC[C@H](O)CN=c1cc(C)[nH]cc1C#N 1105794740 KWUDOZFIGUOJNX-GFCCVEGCSA-N 319.365 -0.901 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@@H](O)CN=c2cc[nH]cc2C#N)c1 1105809172 XDHHAQCAYNLSIM-LBPRGKRZSA-N 310.317 -0.222 30 20 DBED C[C@@H]1CN(C(=O)COCC2CC2)C[C@H]1CNCC(=O)NCC#N 1105865975 RAOPYYPSUQAVKD-TZMCWYRMSA-N 322.409 -0.263 30 20 DBED N#Cc1cccnc1NC[C@@H](O)CNC(=O)[C@H]1CCCNC1=O 1105998715 FBWNPJDHAQOUIB-NEPJUHHUSA-N 317.349 -0.632 30 20 DBED Cc1ncc(CC(=O)NC[C@@H](O)CN=c2cc[nH]cc2C#N)o1 1106003603 FBUHBKFNLWISBY-LBPRGKRZSA-N 315.333 -0.197 30 20 DBED Cn1c(C(=O)NC[C@@H](O)CN=c2cc[nH]cc2C#N)cnc1O 1106052189 UWWWTTCFUVZBIP-JTQLQIEISA-N 316.321 -0.983 30 20 DBED C#Cc1cncc(C(=O)NC[C@H](O)CNc2nccnc2C#N)c1 1106100041 IYGDHHBWYLQOHN-CYBMUJFWSA-N 322.328 -0.073 30 20 DBED CCc1n[nH]cc1C(=O)NC[C@@H](O)CNc1cnc(C#N)cn1 1106163125 LSDSDCTVUPBPRV-JTQLQIEISA-N 315.337 -0.163 30 20 DBED C[C@@H](CCNc1cnc(C#N)cn1)NC(=O)[C@H]1CN(C)C(=O)N1 1106518497 CKBDJRULTMMXDQ-GXSJLCMTSA-N 317.353 -0.321 30 20 DBED C=CCNC(=O)CNC[C@@H]1CN(C(=O)CCN(C)C)C[C@H]1C 1106622583 GLNUYJJMJWQXNW-ZIAGYGMSSA-N 310.442 -0.076 30 20 DBED CCN(CCNc1ccc(C#N)nn1)C(=O)[C@H]1COCCN1C 1106732126 XJJNYSBANSAKBE-CYBMUJFWSA-N 318.381 -0.061 30 20 DBED C#CCO[C@@H](C)C(=O)N(CC)CCNc1nccn2nnnc12 1106854094 PJYCRHUSIHTQDA-NSHDSACASA-N 317.353 -0.182 30 20 DBED COCCn1ccc(C(=O)NC[C@]2(C)CN(CC#N)CCO2)n1 1108064396 HTRYAJJGZWSWFL-OAHLLOKOSA-N 321.381 -0.126 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)COC[C@@H]2CCOC2)C1 1108253746 QBEJPIWLZJPMKD-GDBMZVCRSA-N 310.394 -0.120 30 20 DBED C=CCO[C@H](C)C(=O)NC[C@]1(C)CN(CC(=O)NC)CCO1 1108432189 DOQMBFBQHGQFLE-IUODEOHRSA-N 313.398 -0.469 30 20 DBED C=CCO[C@@H](C)C(=O)NC[C@]1(C)CN(CC(=O)NC)CCO1 1108432190 DOQMBFBQHGQFLE-SWLSCSKDSA-N 313.398 -0.469 30 20 DBED CC(C)OCCC(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1 1108511272 OQKSHKCHZDKLES-GFCCVEGCSA-N 308.382 -0.274 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H]1CC(=O)N(C2CN(CC#C)C2)C1 1108546568 YFYZSKIRQHCDQO-STQMWFEESA-N 303.362 -0.941 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)[C@@H](F)C(F)(F)F)CC2=O)C1 1108548250 IHCXTLCQPNZZIO-GZMMTYOYSA-N 321.274 -0.079 30 20 DBED C[C@@H](CN(C)c1nccnc1C#N)NC(=O)CC(=O)N(C)C 1109263444 HLBVDIALIXFJGQ-JTQLQIEISA-N 304.354 -0.233 30 20 DBED C#CCCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCNS(C)(=O)=O 1109363886 CSCUTHNFRRWYND-AGIUHOORSA-N 313.423 -0.330 30 20 DBED N#Cc1nccc(NC2(CNC(=O)[C@@H]3CCCNC3=O)CC2)n1 1110257155 CQZGJBFEQHJFCM-SNVBAGLBSA-N 314.349 -0.065 30 20 DBED C#CCOCCC(=O)NC[C@@]1(O)CCN(c2cc(F)ncn2)C1 1111098723 VBOFKPSJEGBZSX-HNNXBMFYSA-N 322.340 -0.287 30 20 DBED C=CCCO[C@H](C)C(=O)N1CCN(Cc2nc(=O)n(C)[nH]2)CC1 1112676241 GXBKZXAGALMFQY-GFCCVEGCSA-N 323.397 -0.266 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)c2cncnc2O)CC1 1112997726 MHYZLRKBTKBGGK-NSHDSACASA-N 319.365 -0.369 30 20 DBED C[C@H](Nc1ccc(C#N)nn1)[C@@H](C)NC(=O)CCn1cnnn1 1113123711 BVQHMOIQDSATEV-VHSXEESVSA-N 315.341 -0.270 30 20 DBED COC(=O)NCC(=O)NC[C@@H](C)N(C)c1cnc(C#N)cn1 1113512902 SMRJNMHJNMKVIV-SECBINFHSA-N 306.326 -0.355 30 20 DBED C=CCCOCC(=O)N1CCN(CC(=O)NC(=O)NC)CC1 1113707997 PDFDKYADTNAPRZ-UHFFFAOYSA-N 312.370 -0.821 30 20 DBED Cc1nnsc1C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1113838947 KOUTVRUCWFWXPH-JZYVYDRUSA-N 320.378 -0.854 30 20 DBED C[C@H](CNC(=O)[C@H]1CCC(=O)NC1)N(C)c1ccc(C#N)nn1 1113961806 WSFNHNINEVQYPR-MNOVXSKESA-N 316.365 -0.185 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)c3cn(C)nc3C)[C@@H]2C1 1114081564 AMHQRXBUSGKDPX-CHWSQXEVSA-N 317.393 -0.309 30 20 DBED Cc1nc(C(=O)NC2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]23)co1 1114178635 QQIZLBWRDPWPBQ-NXEZZACHSA-N 303.322 -0.717 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)Cc3cncnc3)[C@H]2C1 1114186998 MJDPIOQNCPGUPY-STQMWFEESA-N 315.377 -0.632 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H]1[C@@H]2CN(Cc3ncnn3C)C[C@@H]21 1114271033 OCHDNNAMTBNQOQ-NMKXLXIOSA-N 303.366 -0.600 30 20 DBED N#Cc1nccnc1N1C[C@H]2CC[C@H]1CN2C(=O)CNC(N)=O 1114381122 WGZIOPQTHJRISK-ZJUUUORDSA-N 315.337 -0.804 30 20 DBED C=CCN1C[C@H]2C(NC(=O)[C@H](Cc3cnc[nH]3)NC(C)=O)[C@@H]2C1 1114769577 GAXZVSQPQSUTAQ-MCIONIFRSA-N 317.393 -0.311 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)CN(CC)CC)[C@@H]2C1 1114991362 BXCFCPJUJJGPKY-CHWSQXEVSA-N 306.410 -0.876 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)c3ncccn3)[C@H]2C1 1115005244 IEPXXMPBEZQQIO-NDBYEHHHSA-N 313.361 -0.726 30 20 DBED C[C@@]1(CC(=O)N[C@H]2[C@@H]3CN(CC#N)C[C@@H]32)CCS(=O)(=O)N1 1115175914 FFDWPEIREOQUGN-YGNMPJRFSA-N 312.395 -0.972 30 20 DBED C#CCN1C[C@H]2C(NC(=O)CCCCCS(N)(=O)=O)[C@@H]2C1 1115368491 RVZFMJGAXWWLHA-VXGBXAGGSA-N 313.423 -0.485 30 20 DBED CC(C)N(CCNC(=O)C(=O)N1CCO[C@@H](C#N)C1)C(C)C 1116980988 HQHSFFISQQMDTH-ZDUSSCGKSA-N 310.398 -0.028 30 20 DBED N#C[C@]1(F)CCN(C(=O)C(=O)N2CC[C@H](N3CC=CC3)C2)C1 1117906484 BDYPKPMEBGWGAI-SWLSCSKDSA-N 306.341 -0.077 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N1C[C@@H](CO)OC(C)(C)C1 1118089371 YIBYOYBJIDDYDZ-QWRGUYRKSA-N 300.355 -0.698 30 20 DBED CC(C)[C@@H](N)CNC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1119293892 JCXYUUOBRRNHGN-OLZOCXBDSA-N 307.398 -0.715 30 20 DBED N#Cc1cncc(N[C@@H](CO)CNC(=O)C2=COCCO2)n1 1121009750 CJTLHJXQLZSPGM-SNVBAGLBSA-N 305.294 -0.875 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H](CO)CNC(=O)[C@H]1CCCOC1 1121197627 KFJSHGKMHHNRJT-WCQYABFASA-N 304.350 -0.309 30 20 DBED CCn1cc(C(=O)NC[C@@H](CO)N=c2cc[nH]c(C#N)n2)cn1 1121228443 GYEGLSMJYRBVDZ-NSHDSACASA-N 315.337 -0.811 30 20 DBED N#Cc1nc(=N[C@H](CO)CNC(=O)[C@@H]2[C@H]3CCC[C@H]32)cc[nH]1 1121266594 WQHGLRLJAZPSCS-KZWBYHQPSA-N 301.350 -0.295 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)CC2OCCCO2)nc1 1121358853 AUXPZPRXTVWARB-GFCCVEGCSA-N 320.349 -0.005 30 20 DBED Cc1ncoc1C(=O)NC[C@@H](CO)Nc1cncc(C#N)n1 1121433086 UJZXCUWQMSUONW-JTQLQIEISA-N 302.294 -0.153 30 20 DBED CCn1nncc1C(=O)NC[C@H](CO)Nc1nccnc1C#N 1121472559 TUZLVJHDKWQCII-SECBINFHSA-N 316.325 -0.838 30 20 DBED C#CCN1CCN(c2nnc([C@H]3CNC(=O)C3)n2CC)CC1 1121827807 ABPGAARCYJTBMQ-GFCCVEGCSA-N 302.382 -0.343 30 20 DBED N#Cc1cccnc1N[C@@H](CO)CNC(=O)[C@@H]1CCCNC1=O 1122146974 GNEMTZVMOKMGSD-VXGBXAGGSA-N 317.349 -0.632 30 20 DBED Cc1cc(C#N)nc(N[C@H](CO)CNC(=O)C(C)(C)C(N)=O)n1 1122197288 BNKOQIJSFKTMHN-JTQLQIEISA-N 320.353 -0.943 30 20 DBED C[C@H]1CCCN1CC(=O)NC[C@@H](CO)Nc1ccc(C#N)nn1 1122525244 BECKDCGVSBUKRI-AAEUAGOBSA-N 318.381 -0.278 30 20 DBED CCC(=O)N[C@@H](C)C(=O)NC[C@H](CO)Nc1ccc(C#N)cn1 1122752703 QFQURRQAELEYRA-CMPLNLGQSA-N 319.365 -0.243 30 20 DBED C[C@@H]1C[C@H](N=c2cc[nH]cc2C#N)CN1C(=O)CNC(N)=O 1123145973 IIMCUQCPPYNPEK-KOLCDFICSA-N 302.338 -0.555 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)c1cnn(C)c1C 1123592470 ZYTBZYCKKQENSQ-UHFFFAOYSA-N 320.397 -0.190 30 20 DBED CCOCCCC(=O)N(C)C[C@@H](O)CN=c1cc[nH]c(C#N)n1 1124102886 AKTCNDJUHPBZAX-LBPRGKRZSA-N 321.381 -0.182 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)CC(C)(C)O 1124289988 LXCSWKIMKRXQFB-SNVBAGLBSA-N 307.354 -0.838 30 20 DBED CN(C[C@H](O)CNc1ncccc1C#N)C(=O)c1nc[nH]n1 1124460809 RLUFWCBXFVFFCY-SNVBAGLBSA-N 301.310 -0.384 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)c1ccc(C)nn1 1126926497 NUEJEEAAZSBWCK-UHFFFAOYSA-N 320.353 -0.884 30 20 DBED C=CCNCc1nnc2n1CC[C@H](NC(=O)CC(=O)NC)CC2 1127983971 GHZXCSUKONGAAF-LLVKDONJSA-N 320.397 -0.489 30 20 DBED CCCCCCCNCCNC(=O)CNC(=O)CNC(C)=O 1130385068 XZLNMKTTWARVPV-UHFFFAOYSA-N 314.430 -0.085 30 20 DBED C=C(C)CN1CCNC(=O)CCN(C(=O)CNC(=O)CC)CC1 1131339820 ROTASXSTKMNHMH-UHFFFAOYSA-N 324.425 -0.261 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@H]1CC(=O)N[C@H](CC)C1 1131680831 RKCYCSSTWHZKNQ-VXGBXAGGSA-N 310.398 -0.701 30 20 DBED O=C(CN1CCNC(=O)C1)NCCNCC#Cc1ccccc1 1132318194 SCOIQBBOXFJYCO-UHFFFAOYSA-N 314.389 -0.824 30 20 DBED C[C@H]1CC[C@H](NC(=O)Cn2ccnc2)CN1CC(=O)NCC#N 1132533232 KKBKOGNTOPWQCN-STQMWFEESA-N 318.381 -0.508 30 20 DBED C[C@H]1CCN(C(=O)c2cnn[nH]2)C[C@@H]1CNCC(=O)NCC#N 1132944880 AVWBYTJXSQQURU-QWRGUYRKSA-N 319.369 -0.868 30 20 DBED C#CCNC[C@@H]1CN(C(=O)c2nccnc2C(N)=O)CC[C@H]1C 1133297300 IVDXCPJHMWDBHL-VXGBXAGGSA-N 315.377 -0.104 30 20 DBED C[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C[C@@H]1CNCC#N 1133305592 BUHBUWUMKUEOCT-MNOVXSKESA-N 307.354 -0.864 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)NCCNCc1ncnn1CC 1134817406 WLWYNHLTBBSEEL-CYBMUJFWSA-N 322.413 -0.025 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)Cc1[nH]cnc1C 1136031382 KCNVQAPAYOSHTP-NEPJUHHUSA-N 319.409 -0.117 30 20 DBED C=CCOCCNCCNC(=O)[C@H](NC(N)=O)C(C)(C)C 1147787080 PFEIYLVYNBHMQX-NSHDSACASA-N 300.403 -0.022 30 20 DBED C=CCCOCC(=O)N1CC2(CCN(CC(=O)NC(N)=O)C2)C1 1148893523 MHXJUWAVSLFQJG-UHFFFAOYSA-N 324.381 -0.692 30 20 DBED C#CCCN1CCCO[C@H](CNC(=O)CCc2cn(C)nn2)C1 1150841198 FPKXCMSRDYWFMS-OAHLLOKOSA-N 319.409 -0.022 30 20 DBED C#CCN1CCC(C(=O)NCCNCC(=O)N(CC)CC)CC1 1152334661 MSDTUXAKSOLUDB-UHFFFAOYSA-N 322.453 -0.094 30 20 DBED CCN(CC#CCOC)[C@H](C)CNC(=O)[C@@H]1CCCNC1=O 1153914477 NUJBVVBKPWIRCK-ZIAGYGMSSA-N 309.410 -0.011 30 20 DBED C#CCNC(=O)CC(=O)NCCCNCc1cccnc1OC 1156857115 CXCFNGIMXKHZQE-UHFFFAOYSA-N 318.377 -0.174 30 20 DBED N#CCNC(=O)CNCCCNC(=O)c1cnc2[nH]cnc2c1 1159040131 IIQKNIOZMHMFML-UHFFFAOYSA-N 315.337 -0.693 30 20 DBED COc1cc(C)cnc1C(=O)NCCCNCC(=O)NCC#N 1160114066 HDJYDVILYSATHD-UHFFFAOYSA-N 319.365 -0.252 30 20 DBED C=CCOCCNCCCNC(=O)[C@@H]1CCN(C)S1(=O)=O 1168061066 HSIZFHMAMVFPCM-LBPRGKRZSA-N 319.427 -0.681 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)C[C@@H]1CCC(=O)N1 1168239255 JFCRUXUGBNYSQT-NEPJUHHUSA-N 310.398 -0.558 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)C(C)(C)NC(C)=O)C1=O 1168481812 ZCRBOHQALFWZST-ZDUSSCGKSA-N 324.425 -0.216 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1cnn(CC2CC2)c1 1170401369 MASUFDAOFPYGAV-UHFFFAOYSA-N 317.393 -0.248 30 20 DBED CN(C)[C@@H]1CCC[C@@H](C(=O)NCCCNCC(=O)NCC#N)C1 1171161526 NUPPQXNMOKWALH-ZIAGYGMSSA-N 323.441 -0.158 30 20 DBED C#CCNC(=O)CNCCCNC(=O)CN1[C@@H](C)CC[C@@H]1C 1176844948 PAYARRVCHHPXCY-KBPBESRZSA-N 308.426 -0.296 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)CCC(=O)NCC)C[C@H]21 1176962574 KGGIQRZDLZKDKW-KGLIPLIRSA-N 307.394 -0.162 30 20 DBED C=CCNC(=O)CNCCCCCCNC(=O)Cn1nccn1 1178588216 UIBJCRQVOUZMEA-UHFFFAOYSA-N 322.413 -0.154 30 20 DBED C=CCNC(=O)CNCCCCCCNC(=O)Cc1nc[nH]n1 1180026239 DAYPVPCKWLEBHN-UHFFFAOYSA-N 322.413 -0.084 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)c2ccn(C)n2)[C@H]1C 1180128643 YJKYSRZCGIVUBY-AGIUHOORSA-N 317.393 -0.249 30 20 DBED C[C@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)Cc1ccc[nH]1 1180182878 SCKMHDNBZSDLQJ-AAEUAGOBSA-N 303.366 -0.224 30 20 DBED Cc1cc(C(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)cnn1 1182188268 QPDPXTDSSWBBGU-GFCCVEGCSA-N 302.338 -0.771 30 20 DBED N#CCNC(=O)CN[C@@H]1CCN(C(=O)c2coc(C3CC3)n2)C1 1186136977 JEBATZHVGGOSJM-LLVKDONJSA-N 317.349 -0.004 30 20 DBED CC#CCN[C@@H]1CCN(C(=O)CCNC(=O)c2cnccn2)C1 1187953798 MQKOACPQLXHNOK-CYBMUJFWSA-N 315.377 -0.190 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCCCO2)C1 1192088447 UWMFXWAAZQUXHR-RBSFLKMASA-N 310.394 -0.243 30 20 DBED C#CCCN(C)[C@H]1CCN(C(=O)[C@@H](CCC(N)=O)NC(C)=O)C1 1192889077 QPGZUGBAPAXNGU-UONOGXRCSA-N 322.409 -0.687 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2cnc(C)o2)C[C@H]1O 1192892274 WLBNDHPDBNSFPH-LERXQTSPSA-N 307.350 -0.317 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@@H]1CCN(C(=O)c2cnon2)C1 1192976214 AHUVOVUFQYUJNI-GHMZBOCLSA-N 305.338 -0.646 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)COCc2cc(C)on2)C1 1194054916 UTTGMCACDCTCJT-ZIAGYGMSSA-N 307.350 -0.316 30 20 DBED C=CCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCN(C)C(=O)C2)C1 1194159539 DUPINNBMGNQRPW-MGPQQGTHSA-N 309.410 -0.018 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)c2cnc(C)n2C)C1 1195602752 UENDLJHZJBWDIN-TZMCWYRMSA-N 306.366 -0.847 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 1196283569 HEMHUYQFJKRABN-RYPNDVFKSA-N 310.394 -0.082 30 20 DBED CCS(=O)(=O)CC(=O)N1CCCN(CC#CCOC)CC1 1198266287 JWIMJMZQXPTSTE-UHFFFAOYSA-N 316.423 -0.395 30 20 DBED COCC#CCN1CCCN(C(=O)C[C@@H]2CC(=O)NC2=O)CC1 1198423596 RIDYCKPOZSYFSL-ZDUSSCGKSA-N 321.377 -0.777 30 20 DBED C#CCO[C@H](C)C(=O)N1CCCO[C@@H](CNCC#CCOC)C1 1200479253 PCWMTGBIJBBLNG-CVEARBPZSA-N 322.405 -0.118 30 20 DBED C#CCNC[C@H]1CN(C(=O)c2ccc(C(N)=O)o2)CCCO1 1200930931 PKWBZFVNGCACPT-NSHDSACASA-N 305.334 -0.168 30 20 DBED C#CCCNC[C@H]1CN(C(=O)[C@]2(C)CNC(=O)C2)CCCO1 1201053234 YZTULGPLHQBNLA-BBRMVZONSA-N 307.394 -0.257 30 20 DBED CC#CCN[C@H]1C[C@H]2CC[C@H]1N(C(=O)Cn1c(O)nnc1O)C2 1204926681 WSXPFCSQOWAFCD-GRYCIOLGSA-N 319.365 -0.318 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H](NCCNS(C)(=O)=O)C1 1207694027 SCNRNWWZQJFTDB-MNOVXSKESA-N 302.400 -0.724 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCC[C@H](NCC(=O)NC(N)=O)C1 1207951242 RCPHTZDYANXAMW-IINYFYTJSA-N 312.370 -0.911 30 20 DBED CCC[C@@H](C(=O)N1CCC[C@H](NCC#N)C1)S(N)(=O)=O 1208756836 ALCZUUCLCGDETR-QWRGUYRKSA-N 302.400 -0.452 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)c2ncccn2)[C@H](C)C1 1209648750 FWVBLOJRCVXOAN-VXGBXAGGSA-N 303.366 -0.171 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@]2(C)CCOC2)C1 1210316546 XKVJWQQKDSDUNU-CZUORRHYSA-N 307.394 -0.257 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)C[C@H](C)OC)[C@H](OC)C1 1212009755 VIJIBYKHDQLKDK-YNEHKIRRSA-N 313.398 -0.471 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)Cc2ncc[nH]2)C[C@H]1C 1216064995 KMRZXNFZOOIYAY-FRRDWIJNSA-N 317.393 -0.473 30 20 DBED C=C(C)CCC(=O)N1CCO[C@@H]2CN(Cc3nnnn3C)C[C@@H]21 1218032549 QNQVCFJAILAEFD-QWHCGFSZSA-N 320.397 -0.022 30 20 DBED N#CCSCC(=O)N[C@@H]1CN(C[C@H]2CCCCO2)C[C@@H]1O 1219217972 GIXXHSSCPRRGOU-UPJWGTAASA-N 313.423 -0.026 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C[C@H]2CCCO2)C1 1219237817 LTUVOEISCZBLSG-UPJWGTAASA-N 311.382 -0.981 30 20 DBED C=CCOCCCC(=O)N[C@@H]1CN(CC(=O)N(C)C)C[C@@H]1O 1219426521 HCCFHOBOPMEPQG-OLZOCXBDSA-N 313.398 -0.781 30 20 DBED C#CCCCC(=O)N[C@@H]1CN([C@@H](C)c2nncn2C)C[C@@H]1O 1219539651 UWOZRNBFFZKULK-XQQFMLRXSA-N 305.382 -0.159 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(CCOC2CCC2)C[C@@H]1O 1219605217 LZGHINHRFBYHHK-YUELXQCFSA-N 310.394 -0.245 30 20 DBED C=CCCCN1C[C@H](O)[C@H](NC(=O)CN(C)C(=O)C2CC2)C1 1219740844 LWTJOTHYOSHLAE-KGLIPLIRSA-N 309.410 -0.018 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)C(C)(C)NC(=O)NCCC)C1 1221077509 MKUDBGKYJBLZIQ-NEPJUHHUSA-N 310.398 -0.731 30 20 DBED CC(C)C#CC(=O)N1C[C@H]2CCN(Cc3nc(=O)n(C)[nH]3)C[C@H]21 1221530094 VYWLPMRHNBONLP-CHWSQXEVSA-N 317.393 -0.200 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CCN(C(=O)c3cn[nH]c3)C[C@@H]21 1222309170 FBZJAKDXUAKGOI-OCCSQVGLSA-N 315.377 -0.305 30 20 DBED CO[C@H](C)CC(=O)NCC1CCN(CC(=O)NCC#N)CC1 1222599700 IQSSEQIBTBGNIS-GFCCVEGCSA-N 310.398 -0.121 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)Cc2cncn2C)CC1 1230035494 WHTHGDFWTZRSQO-UHFFFAOYSA-N 319.409 -0.155 30 20 DBED CS[C@H](C)C(=O)NCC[C@@H]1CN(CC#N)CCS1(=O)=O 1230421998 DKNKWTVIZGVHOP-GHMZBOCLSA-N 319.452 -0.133 30 20 DBED CN(C[C@@H]1CCN1CC(=O)NCC#N)C(=O)c1cnn(C)c1 1230738706 IWLJWYJHLBHCHH-LBPRGKRZSA-N 304.354 -0.794 30 20 DBED C#CCNC(=O)CC(=O)N(C)C[C@H]1CCN1CC(=O)N(C)CC 1233809717 NCDQKPNMFJDAEX-CYBMUJFWSA-N 322.409 -0.863 30 20 DBED C#CCOCCC(=O)N(C)C[C@@H]1CCN1[C@H](C)C(=O)NC(N)=O 1234246515 PKRPPTDQDGVBBK-NEPJUHHUSA-N 324.381 -0.858 30 20 DBED C#CCN1CC[C@@H]1CN(C)C(=O)CNC(=O)c1ccncc1 1234447403 UXJCZIBPOFYYKT-CQSZACIVSA-N 300.362 -0.023 30 20 DBED C#CCN(C)c1nnnn1CCS(=O)(=O)C1CCOCC1 1262464864 VAFIJEJEBNTCLI-UHFFFAOYSA-N 313.383 -0.664 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCN(C)C(=O)[C@H]1CCCN1C 1268812110 RFYXHQRSXQFWAD-ZIAGYGMSSA-N 308.426 -0.343 30 20 DBED CC(C)[C@H](C(=O)NCC1(NCC(=O)NCC#N)CCC1)N(C)C 1280502405 NSRRQCTXPCQAPO-CQSZACIVSA-N 323.441 -0.159 30 20 DBED CN(C)[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CCO[C@@H](C#N)C1 1322953851 AXVGKZWMFVJIII-YNEHKIRRSA-N 308.382 -0.274 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)NC[C@H]1CCC=CO1 1323309659 JZYOSNYUHZYGRL-LLVKDONJSA-N 316.379 -0.488 30 20 DBED C=C(C)CN(CC)C(=O)C(=O)NCCS(=O)(=O)NC(C)C 1323731690 JJXLIJCVOBBEGI-UHFFFAOYSA-N 319.427 -0.145 30 20 DBED CN(CC(C)(CO)CO)C(=O)C(=O)Nc1ccn(CCC#N)n1 1326102145 DGXSKFMGYBCPAS-UHFFFAOYSA-N 323.353 -0.815 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CCOC[C@@H]2CC)nn1 1329222433 LISPFRSEHLYHNB-LBPRGKRZSA-N 307.354 -0.282 30 20 DBED CC#CC[C@@H](CO)NC(=O)C(=O)Nc1cc(C)cn(C)c1=O 1329303276 NLUCJYWZLCSTDE-NSHDSACASA-N 305.334 -0.477 30 20 DBED C=C(C)CN(C)C(=O)C(=O)NCCS(=O)(=O)NC(C)C 1329458222 XASJHZCPRRVSQV-UHFFFAOYSA-N 305.400 -0.535 30 20 DBED CS(=O)(=O)N1CCC(C(=O)N[C@@H]2CCCN(O)C2=O)CC1 1330486983 IDZXEWIRLGDUBI-SNVBAGLBSA-N 319.383 -0.846 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2c(C)ccnc2O)CC1 1332853428 OWDMCGIYKXMKNA-UHFFFAOYSA-N 316.361 -0.397 30 20 DBED C=C(C)Cn1nnnc1N1CCC(O)(CN2CCOCC2)CC1 1333674671 XGWLDEWGGDJFIP-UHFFFAOYSA-N 322.413 -0.087 30 20 DBED C#CCOCCn1nnnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1334469869 LBMSRQKAMIZMPO-JSGCOSHPSA-N 307.354 -0.293 30 20 DBED CC(=O)N1CCN(C(=O)C(=O)N2CCC[C@H](C#N)C2)[C@H](C)C1 1336339057 ZGDPXYCVLQLZMJ-DGCLKSJQSA-N 306.366 -0.172 30 20 DBED N#C[C@@H]1CCCN(C(=O)C(=O)N2CC(N3CCCC3=O)C2)C1 1338245453 DTXBEVGVFICWTP-NSHDSACASA-N 304.350 -0.418 30 20 DBED COCCNC(=O)[C@H](C#N)C(=O)[C@@H](C)Sc1nncn1C 1342520073 MADPCIBTPFLZSV-RKDXNWHRSA-N 311.367 -0.233 30 20 DBED CCN1CCN(CC(=O)[C@@H](C#N)c2nccn2CC)C(=O)C1=O 1344875130 KSCDUFGSIIHQRB-LLVKDONJSA-N 317.349 -0.230 30 20 DBED C=CCSCCNC(=O)C(=O)N[C@H]1CC(=O)N(C2CC2)C1 1345463636 PUOPVRAPDUWLPK-JTQLQIEISA-N 311.407 -0.099 30 20 DBED C#CCSCCNC(=O)N(C)Cc1nnc2c(=O)[nH]ccn12 1353036120 VRKNALKHKHHRLA-UHFFFAOYSA-N 320.378 -0.075 30 20 DBED N#C[C@H](C(=O)C[C@@H]1CCCO1)C(=O)N1CCS(=O)(=O)CC1 1356016816 ITETZWLITONVAP-WDEREUQCSA-N 314.363 -0.479 30 20 DBED Cn1cnn(CC(=O)Nc2ncc3c(c2C#N)COCC3)c1=O 1361411210 JKKKJMUHFUKQER-UHFFFAOYSA-N 314.305 -0.440 30 20 DBED COC[C@@]1(C)CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)C1 1362741859 OIGUJGYJLBQNSE-AWEZNQCLSA-N 306.322 -0.294 30 20 DBED N#Cc1cn(CC(=O)N2CCC[C@H]2c2ncon2)c(=O)nc1O 1363060933 XVOQUGKTFRMYGR-VIFPVBQESA-N 316.277 -0.433 30 20 DBED CN(Cc1nnc2c(=O)[nH]ccn12)C(=O)C1(C#N)CCOCC1 1363347141 QPUIXGICLQBQFZ-UHFFFAOYSA-N 316.321 -0.304 30 20 DBED CN(C)C(=O)CC1CCN(c2[nH]c(=O)n(C)c(=O)c2C#N)CC1 1363740367 YYEXONZSLIHYNL-UHFFFAOYSA-N 319.365 -0.360 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CC[C@@H](C(=O)N(C)C)C1 1364883312 TYEDCWJPMRRKMS-LLVKDONJSA-N 302.400 -0.123 30 20 DBED C[C@H](CN(C)C(=O)c1c[nH]c(C(N)=O)c1)NC(=O)[C@H](C)C#N 1370522703 ZTORKTKXBYDCIF-RKDXNWHRSA-N 305.338 -0.150 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CCN(C(=O)c2cccc(C(N)=O)n2)C1 1372306191 WXFXKLZNXRXMKG-NXEZZACHSA-N 315.333 -0.329 30 20 DBED CCCc1cc(C(=O)NC[C@@H](O)CNC(=O)[C@@H](C)C#N)no1 1376679187 UNSGZITWGHHYGJ-UWVGGRQHSA-N 308.338 -0.006 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(CCNC(=O)CCCC(N)=O)CC1 1385527424 KQQLVYPDUZZBLK-LBPRGKRZSA-N 323.397 -0.938 30 20 DBED CCNC(=O)NC(=O)[C@H](C)NCCN(CC)C(=O)[C@H](C)C#N 1392443871 WHFCCBUFUCSUEO-MNOVXSKESA-N 311.386 -0.182 30 20 DBED COCCN(CCNC(=O)c1ncccn1)C(=O)[C@@H](C)C#N 1405776988 XAFBRWMHRWHDBY-NSHDSACASA-N 305.338 -0.159 30 20 DBED CCOC(=O)[C@H](C[C@H]1CCCO1)NC(=O)Cn1cnc(C#N)n1 1412577963 UOUZIYWMUXWTHO-MNOVXSKESA-N 321.337 -0.233 30 20 DBED CCN1CCO[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H](C)C#N)C2)C1 1414197254 LMDMTDYTFLVEJH-FQUUOJAGSA-N 322.409 -0.122 30 20 DBED N#Cc1c[nH]c(C(=O)NC2(CNC(=O)[C@@H]3COC(=O)N3)CC2)c1 1417132314 SYNIWMCKAFPDFU-JTQLQIEISA-N 317.305 -0.627 30 20 DBED CN(C(=O)Cn1cnc(C#N)n1)C(C)(C)CN1CCOCC1 1417972439 SCZLCAZFPSXOEO-UHFFFAOYSA-N 306.370 -0.281 30 20 DBED N#Cc1cccc(CNC2(CNC(=O)Cn3ncnn3)CC2)c1 1423207737 LKGBGNQUCLBYMB-UHFFFAOYSA-N 311.349 -0.017 30 20 DBED CN(C)C(=O)Cn1cc(C(=O)N(C)c2cc(C#N)ccn2)nn1 1433458276 LHFLGEZZVGAHCU-UHFFFAOYSA-N 313.321 -0.090 30 20 DBED C[C@@H](CN(C)C(=O)c1ccc(C(N)=O)[nH]1)NC(=O)[C@H](C)C#N 1451254509 KPEOYOYFUXLXPW-BDAKNGLRSA-N 305.338 -0.150 30 20 DBED COC(=O)NCC(=O)NC[C@@H](C)CNC(=O)c1cc(C#N)c[nH]1 1451506485 KOGCMJHJYFUKEF-SECBINFHSA-N 321.337 -0.276 30 20 DBED COCC(=O)N(C)CC(=O)N1CCC(NC(=O)[C@H](C)C#N)CC1 1492098155 XQBYNPXTFMPZSG-LLVKDONJSA-N 324.381 -0.642 30 20 DBED C=C(Cl)CN(C)[C@H](C)CNC(=O)CNC(=O)CNC(C)=O 1505947990 FQEPHHSROCMRCB-SNVBAGLBSA-N 318.805 -0.572 30 20 DBED C[C@H](C#N)C(=O)NCCN(C(=O)[C@H]1CC(=O)N(C)C1)C1CC1 1529853391 KODLLNZMKLYDMY-MNOVXSKESA-N 306.366 -0.268 30 20 DBED C=C(Cl)CN1CC(N2CCN(C(=O)CNC(=O)O)CC2)C1 1573339024 MYGCKJHHOLXGNT-UHFFFAOYSA-N 316.789 -0.165 30 20 DBED COC[C@@H]1CN(c2cnc(C#N)c(-c3nn[nH]n3)n2)C[C@H](C)O1 1579746576 AHZABLJEFHREEX-IUCAKERBSA-N 316.325 -0.232 30 20 DBED C#CC[C@H]1CCCN(C(=O)C(=O)N2CCO[C@H](C(=O)O)C2)C1 1588392170 UVPKEOUBLJJWHJ-RYUDHWBXSA-N 308.334 -0.440 30 20 DBED C#CCN(CC(=O)O)c1nnnn1Cc1c(C2CC2)cnn1C 1588426794 CEEPJLBCPBSIMD-UHFFFAOYSA-N 315.337 -0.144 30 20 DBED N#CC1(CNS(=O)(=O)c2ccc(-c3nn[nH]n3)nc2)CC1 1592670377 ZSXKHGPGCUFPIH-UHFFFAOYSA-N 305.323 -0.156 30 20 DBED N#Cc1cnc(C(=O)N2CCN(C(=O)C(=O)O)CC2)c(Cl)c1 1594633122 OPZMEABCHYAVNX-UHFFFAOYSA-N 322.708 -0.024 30 20 DBED C#CCN(CC(=O)O)C(=O)[C@@H]1CCCN(S(=O)(=O)CC)C1 1602682990 XPDFMWBIJWSFGO-LLVKDONJSA-N 316.379 -0.406 30 20 DBED C=C[C@H](C(=O)O)N1CCN(S(=O)(=O)CCOC(C)C)CC1 1602806062 QFGNXEKBWDAEOY-GFCCVEGCSA-N 320.411 -0.002 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CN(c2ccnc(C(=O)O)n2)CCO1 1603129172 BELPUKUQVYGLCF-UWVGGRQHSA-N 319.321 -0.344 30 20 DBED N#Cc1ncn(CCNC(=O)N2CCC3(CC2)OCCO3)n1 1649813768 ZBOOWUZVSJVXLS-UHFFFAOYSA-N 306.326 -0.302 30 20 DBED Cn1c(=O)ccn(CC(=O)NCCCN(CC#N)C2CC2)c1=O 1752262098 TVVRXSOAUWNARI-UHFFFAOYSA-N 319.365 -0.959 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H](CNC(=O)c1cnon1)C1CC1 1752491802 VNFCJTFJNMHLJV-KOLCDFICSA-N 305.338 -0.695 30 20 DBED C#CCNC(=O)CN[C@H](C)CCNC(=O)CN1CC[C@@H](C)C1 1753014478 KNUQBUKVTFZAHO-ZIAGYGMSSA-N 308.426 -0.438 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC[C@H]1CNC(=O)Cc1cnoc1 1753110627 RGENCDIJJYBTSY-OCCSQVGLSA-N 318.377 -0.064 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC(CNC(=O)[C@@]2(F)CCOC2)C1 1753410187 AXIYZCYBYQCNGC-IAQYHMDHSA-N 311.357 -0.699 30 20 DBED C=CCNC(=O)CN[C@@H](CNC(=O)c1[nH]nnc1C)C(C)C 1753833673 FIZQZDYCCPPTSD-NSHDSACASA-N 308.386 -0.241 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC(N(C)C(=O)[C@@H]2CCCCO2)C1 1754573704 VFZCNKYPPPFLGX-OCCSQVGLSA-N 307.394 -0.164 30 20 DBED C=CCNC(=O)[C@H](C)N1CC[C@](C)(NC(=O)c2cn(C)nn2)C1 1754672989 RYARGOXZEAMTNM-NHYWBVRUSA-N 320.397 -0.300 30 20 DBED C#CCNC(=O)CN1CC[C@](O)(CNC(=O)CC2(C)CC2)C1 1754756725 UGZNMTGWPUQHFN-INIZCTEOSA-N 307.394 -0.521 30 20 DBED CCC[C@@H]1C[C@H]1C(=O)NCC1(O)CN(CC(=O)NCC#N)C1 1754774092 CLFQYFRTKBROFJ-VXGBXAGGSA-N 308.382 -0.775 30 20 DBED C#CCNC1CCN(CCNC(=O)[C@H]2CCC(=O)N2C)CC1 1754850623 OWQVDEXPVHTCIB-CQSZACIVSA-N 306.410 -0.589 30 20 DBED C=C(C)CNCC1(NC(=O)[C@@H]2CN(C)C(=O)N2)CCOCC1 1755097758 UOAFAVLGUNNWKA-LBPRGKRZSA-N 310.398 -0.159 30 20 DBED CC#CCNC1(C)CCN(C(=O)c2nnc(O)nc2O)CC1 1755130864 URYJURYMMXMHEX-UHFFFAOYSA-N 305.338 -0.110 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC(CO)(NC(=O)CCC)CC1 1755175960 OCFZFHZPJJBVEK-ZDUSSCGKSA-N 309.410 -0.133 30 20 DBED C#CCNC(=O)[C@H](C)NCC1CC(NC(=O)c2cccnn2)C1 1755219507 VHGPQIJATFNTFR-HIFPTAJRSA-N 315.377 -0.288 30 20 DBED C#CCNC(=O)CN1C[C@H]2CC[C@H]1CN2C(=O)CCN(C)CC 1755398504 WZZOYTKSOPNYIB-LSDHHAIUSA-N 320.437 -0.247 30 20 DBED C=CCN1CC[C@@H](N[C@H](CO)CNC(=O)Cc2ccon2)C1=O 1755626791 MZHCACPAGLMVAT-QWHCGFSZSA-N 322.365 -0.929 30 20 DBED CC1(C)CN(C(=O)c2cnon2)C[C@@H]1NCC(=O)NCC#N 1755764755 ZIZBZBDBDRHWJZ-JTQLQIEISA-N 306.326 -0.850 30 20 DBED C#CCNC[C@@H](O)CN(C)C(=O)c1cccc(OCC(N)=O)c1 1755780331 CZERZNISNIWVLP-CYBMUJFWSA-N 319.361 -0.794 30 20 DBED C#CCNC(=O)CN1CC=C(CNC(=O)CCOCC)CC1 1755882471 IPRHAQMQXLMBSU-UHFFFAOYSA-N 307.394 -0.089 30 20 DBED C#CCCCC(=O)N(C)C1CC(NC(=O)[C@H](C)NC(N)=O)C1 1756737749 CXBWPAADMYQPGU-UNXYVOJBSA-N 308.382 -0.048 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(C(=O)C[C@H]2CCNC2=O)C[C@H]1O 1756992082 OTGBGWUTOJBGEG-JHJVBQTASA-N 321.377 -0.996 30 20 DBED CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC#N)C3)COC1 1792621220 LTQBEXARPZEBHU-DABQJJPHSA-N 321.377 -0.084 30 20 DBED C=CCC(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834768596 FNCDBDVLJQSQCH-HNNXBMFYSA-N 307.350 -0.067 30 20 DBED N#Cc1ccc(N2CCN(S(N)(=O)=O)CC2)c([N+](=O)[O-])c1 55258821 VJPXEOBHURHUGD-UHFFFAOYSA-N 311.323 -0.208 30 20 DBED COC(=O)C[C@@H]1C(=O)NCCN1C(=O)C#Cc1ccccc1 81534248 KDNJRDIUHFUBPQ-CYBMUJFWSA-N 300.314 -0.072 30 20 DBED N#Cc1ccccc1S(=O)(=O)N1CCN2C(=O)NC[C@H]2C1 91756213 YESAIEUZAHQXAV-NSHDSACASA-N 306.347 -0.044 30 20 DBED CNS(=O)(=O)[C@H]1CCN([C@H](C)C(=O)N(C)CCC#N)C1 155812389 JDPRQOYAWJQRMN-MNOVXSKESA-N 302.400 -0.630 30 20 DBED C#CCOc1ccc(C(=O)N2CCN(CC(N)=O)CC2)cc1 172876126 JNEZUUOXNQMYPZ-UHFFFAOYSA-N 301.346 -0.058 30 20 DBED C#CCN/C(=N\CC)NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 261661931 BBEAVHVSBKFGPL-XDQVBPFNSA-N 314.389 -0.018 30 20 DBED C/N=C(/NC[C@@H]1CCOC1)N[C@H]1CCc2nc(COC)nn2C1 261958271 JJXPJJLEYIGITM-RYUDHWBXSA-N 322.413 -0.059 30 20 DBED C=CCS(=O)(=O)CCNS(=O)(=O)c1cn(C)c(C)n1 272783004 AWKWBDYFJDKHCS-UHFFFAOYSA-N 307.397 -0.392 30 20 DBED C/N=C(/O)CN1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)CC1 329809805 CDWNHUHLKZKKLZ-SGMGOOAPSA-N 311.382 -0.232 30 20 DBED O=C1CCC(=O)N1CC/N=C(/O)N1CC[C@@H](N2CCCC2=O)C1 330103427 ISIHFASUVASHAR-LLVKDONJSA-N 322.365 -0.254 30 20 DBED CC(=O)N[C@H]1CCCN(/C(O)=N/CCN2C(=O)CCC2=O)C1 330784915 SLNLGXAVSPTYCB-NSHDSACASA-N 310.354 -0.350 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N1CCS(=O)(=O)CC[C@@H]1C 332059877 YJGMDABRAPMVLO-QWRGUYRKSA-N 323.440 -0.026 30 20 DBED COCCN(CCC#N)S(=O)(=O)NCC[C@H](O)COC 336948152 QFNGIXPKQNJIGJ-NSHDSACASA-N 309.388 -0.920 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N[C@H](C)CO[C@H]1CCOC1 341505142 SPGPMUGFLJHHQG-OLZOCXBDSA-N 314.382 -0.042 30 20 DBED COC(=O)C[C@H]1COCCN1S(=O)(=O)N(C)[C@@H](C)CC#N 344958166 QVWHEICNSAGQLT-QWRGUYRKSA-N 319.383 -0.271 30 20 DBED CC(C)N1CC[C@@H](NC(=O)NCCn2cnc(C#N)n2)C1=O 345012970 BDWYNRVPRJSIAG-SNVBAGLBSA-N 305.342 -0.542 30 20 DBED N#CCNC(=O)CNC(=O)N[C@H]1CCN(CC(F)(F)F)C1=O 345029894 PARFTIPDDIOFEW-ZETCQYMHSA-N 321.259 -0.911 30 20 DBED CC(C)NC(=O)CN1CCN(C(=O)c2cnn(C)c2C#N)CC1 353676091 MRCRWSJKLIUUPF-UHFFFAOYSA-N 318.381 -0.426 30 20 DBED CCN(CC(N)=O)S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N 353816390 PGAQXCUWPCSLGT-UHFFFAOYSA-N 312.307 -0.038 30 20 DBED COC(=O)C[C@H](NC(=O)Cc1noc(C)c1C#N)C(=O)OC 354347973 IXOLNSDBSNWUOH-JTQLQIEISA-N 309.278 -0.382 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCOC(C)(C)[C@@H]2C)C1=O 357936408 MZTQAAYAPFWTQA-JTQLQIEISA-N 323.349 -0.011 30 20 DBED N#CC1(CS(=O)(=O)NCC2CCN(CCO)CC2)CC1 361563148 LMGOFNUKXVMABG-UHFFFAOYSA-N 301.412 -0.086 30 20 DBED N#Cc1ccc(NC2CCN(C(=O)Cn3cnnn3)CC2)nc1 373234586 MKFYPHHFSLDZFN-UHFFFAOYSA-N 312.337 0.043 30 20 DBED N#CCCN(CCC#N)C(=O)CN1CCC[C@H]2C(=O)NC[C@H]21 374072684 SCGMGRACHXJCNM-CHWSQXEVSA-N 303.366 -0.147 30 20 DBED CCC(CC)(CNC(=O)C(=O)N1CCO[C@@H](C#N)C1)C(=O)O 424488940 MDTAUVFVWROTIM-JTQLQIEISA-N 311.338 -0.255 30 20 DBED C#CCN1CCN(C(=O)CN(C)CCOCCOCC)CC1 490714270 NZWXUZDOZNOYGR-UHFFFAOYSA-N 311.426 -0.251 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2cc(C)nc(C)n2)CC1 491071058 HQIJOSWJBICXCN-UHFFFAOYSA-N 315.377 -0.399 30 20 DBED C#CCN(CC#CC)C(=O)c1nc(N)nc(N2CCOCC2)n1 491706691 MDWGANNNXOSUFN-UHFFFAOYSA-N 314.349 -0.611 30 20 DBED CN(CCC#N)C[C@H](O)CNC[C@@H]1CC[C@@H](C(=O)N(C)C)O1 515414351 IGCWDHIEAGLCSX-RDBSUJKOSA-N 312.414 -0.582 30 20 DBED C[C@H](O)CN(CC(F)F)S(=O)(=O)N1CCO[C@H](C#N)C1 520254184 NRJNMMCDZHWCIR-DTWKUNHWSA-N 313.326 -0.597 30 20 DBED C[C@H](C#N)C(=O)N1CCN(CC(=O)Nc2nncs2)CC1 523409585 FREBGUAMQKMYCL-SECBINFHSA-N 308.367 -0.220 30 20 DBED N#C[C@]1(NC(=O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)CCOC1 548139242 SIHUNZVKUQAYEL-JRPNMDOOSA-N 305.334 -0.040 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N(C)C1(C(=O)O)CCOCC1 583567553 CPSGYSGZHAEDGL-SNVBAGLBSA-N 319.383 -0.112 30 20 DBED CN(C)S(=O)(=O)N(CC#N)CCc1nnn(C(C)(C)C)n1 596275029 IRTMYQSCFAGPFN-UHFFFAOYSA-N 315.403 -0.397 30 20 DBED Cn1c(N(CCOCCO)C2CCC2)c(C#N)c(=O)n(C)c1=O 596313003 MVOJFIXRQJCHOE-UHFFFAOYSA-N 322.365 -0.677 30 20 DBED N#Cc1ncn(CC(=O)N2CCC[C@H](N3CCOCC3)C2)n1 597706464 GNDGIHDPOXVELO-LBPRGKRZSA-N 304.354 -0.527 30 20 DBED COC(=O)CN(CC#N)C(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1 599537497 OICGRWAKSTZTQX-SNVBAGLBSA-N 319.321 -0.702 30 20 DBED N#Cc1ccc(NC(=O)C(=O)NC[C@H]2COCCN2)cc1F 599898774 XAQKEXMKLWZXRG-NSHDSACASA-N 306.297 -0.260 30 20 DBED Cc1cccc(NC(=O)C(=O)NC[C@H]2COCCN2)c1C#N 599899474 LEIBSELMCDIHOA-NSHDSACASA-N 302.334 -0.090 30 20 DBED Cn1cc(N2C[C@H](C(=O)N3CC[C@](O)(CC#N)C3)CC2=O)cn1 600061173 APOKYCVLVJBMAF-IAQYHMDHSA-N 317.349 -0.350 30 20 DBED CC#CC[C@H](CO)NC(=O)C(=O)Nc1ccc2nc(C)nn2c1 646950871 NYINKBIGCVJQIE-GFCCVEGCSA-N 315.333 -0.133 30 20 DBED C#CCNC(=O)CN1CCN(c2ncnc3c2ncn3C)CC1 728566946 KKLNHPDFEGYDOL-UHFFFAOYSA-N 313.365 -0.765 30 20 DBED C#Cc1ccc(C(=O)N2CCNC(=O)[C@@H]2CC(=O)OC)cn1 728862187 YVTOLBBFGPALMS-LBPRGKRZSA-N 301.302 -0.433 30 20 DBED N#C[C@H]1CN(CN2C(=O)C(=O)N(C3CCCC3)C2=O)CCO1 729986932 NMSQZRLMYHHTQC-NSHDSACASA-N 306.322 -0.098 30 20 DBED C[C@H](O)CN1CCN(c2cccc(S(N)(=O)=O)c2C#N)CC1 754992906 JMYAPPSEJJHWSH-NSHDSACASA-N 324.406 -0.292 30 20 DBED C#CCN1CCC(C(=O)O[C@H](C)C(=O)NCC(=O)OC)CC1 772115406 FNLQTALPYGMWPQ-LLVKDONJSA-N 310.350 -0.448 30 20 DBED C=CCS(=O)(=O)NC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O 772718084 XLROXUFAUAXCGV-LBPRGKRZSA-N 315.351 -0.661 30 20 DBED C#C[C@@H](NC(=O)NCCC(=O)N1CCOCC1)[C@@H]1CCCO1 773214616 WMTGCQMAGBRDFZ-OLZOCXBDSA-N 309.366 -0.285 30 20 DBED C#CCN1CCC(C(=O)NCC2CN(S(C)(=O)=O)C2)CC1 778207492 ZIJRMGMFYBYMCH-UHFFFAOYSA-N 313.423 -0.661 30 20 DBED C#CCOCCNC(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 784544766 KTRCFQZSURAKII-LLVKDONJSA-N 303.384 -0.641 30 20 DBED CSCC[C@H]1NC(=S)N(CCn2cnc(C#N)n2)C1=O 794682210 UDZJCWDWPGPPSF-MRVPVSSYSA-N 310.408 -0.012 30 20 DBED C=CCCn1cc(C(=O)NS(=O)(=O)CCOCC)nn1 820047941 GSIMNDQEFVHBNA-UHFFFAOYSA-N 302.356 -0.050 30 20 DBED C=CCCn1cc(C(=O)NS(=O)(=O)[C@@H](C)C(=O)OC)nn1 820600777 IURLNXCDMVXFAT-QMMMGPOBSA-N 316.339 -0.525 30 20 DBED C=CCS(=O)(=O)CCNC(=O)[C@@H](C)NS(=O)(=O)CC 831991469 OFYVEWCKFAXYPN-SECBINFHSA-N 312.413 -0.969 30 20 DBED CON(C)S(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 848942844 AIPLHMJDUITYNO-UHFFFAOYSA-N 319.364 -0.330 30 20 DBED C#CC[C@@H](CCOC)NC(=O)CCN1CCCS1(=O)=O 863788518 ANZURVUYKVEGAJ-LBPRGKRZSA-N 302.396 -0.043 30 20 DBED C#C[C@@H](NC(=O)N1C[C@H]2C(=O)N(C)C(=O)[C@H]2C1)[C@H]1CCCO1 868513753 IDGVPIHYTBXOHI-WRWGMCAJSA-N 305.334 -0.577 30 20 DBED C#CCNS(=O)(=O)N1CCN(c2cc(C)nc(CC)n2)CC1 872632885 AZYDKTUVDKMTDK-UHFFFAOYSA-N 323.422 -0.063 30 20 DBED C#CC1(O)CN(C(=O)N[C@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)C1 893330518 YZQFHCLLKITPIG-JQWIXIFHSA-N 317.349 -0.697 30 20 DBED CN(CCO)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 914531477 WHKMJBIYFFLYQD-UHFFFAOYSA-N 311.363 -0.434 30 20 DBED C#CCN1CCC[C@@H](NC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1 923551145 JVEBJXVXUIAISP-MCIONIFRSA-N 307.394 -0.164 30 20 DBED C#CCNC(=O)CN1CCN([C@H](C(=O)OC)[C@@H](C)CC)CC1 929510669 IVTPEXRKVNNJEY-ZFWWWQNUSA-N 309.410 -0.059 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@H]2C[C@H]3C=C[C@H]2O3)CC1 931879903 QEXLICIFFHCUGR-HZSPNIEDSA-N 303.362 -0.777 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](N(C)C(=O)c2nnc(O)nc2O)C1 939398252 VNQIXZQSTXGHCK-JGVFFNPUSA-N 320.309 -0.885 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2cc[nH]n2)C1 941237680 FRSYYDFJFULCTE-OCCSQVGLSA-N 315.377 -0.162 30 20 DBED C[C@@H](C#N)C(=O)N1CCCN(C(=O)c2cn(C)c(=O)cn2)CC1 941868254 XFRJAGQTTZAIKV-NSHDSACASA-N 317.349 -0.386 30 20 DBED Cn1cnc(C(=O)NC[C@H]2CCCN2C(=O)C#CC2CC2)n1 944007793 OCEOGCHHNLLWNG-GFCCVEGCSA-N 301.350 -0.051 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)C(N)=O)C[C@@H]2C)cn1 945482228 CMVDIWICBUVHOA-GWCFXTLKSA-N 314.345 -0.485 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H]2C[C@H]1[C@@H]2NC(=O)Cn1ncnn1 947215281 JIINXSHMLPKBNC-JFGNBEQYSA-N 304.354 -0.399 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@]2(CCN(C(=O)c3nnn(C)n3)C2)C1 953204235 KFFXMBSLWFKHLC-IINYFYTJSA-N 317.353 -0.566 30 20 DBED C#Cc1cncc(C(=O)N2CC(N(C)C(=O)Cn3nccn3)C2)c1 954371652 PTUYVPVVJAUIDE-UHFFFAOYSA-N 324.344 -0.363 30 20 DBED CN(C(=O)c1nnn(C)n1)C1CN(C(=O)c2ccc(C#N)[nH]2)C1 955029338 VJIPUGIAMWKKSD-UHFFFAOYSA-N 314.309 -0.994 30 20 DBED C[C@H](C#N)C(=O)N1CCC(C)(NC(=O)[C@H]2COCCN2C)CC1 956343767 YMQKTAXUUMOTSO-CHWSQXEVSA-N 322.409 -0.026 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2cn(C3CCC3)nn2)C1 958072801 GECMWQNELSYUGY-BXUZGUMPSA-N 303.366 -0.341 30 20 DBED CC(=O)Nc1c[nH]c(C)c1C(=O)NC[C@H]1CN(CC#N)C[C@@H]1O 958195378 GTUJVOQQVJVOQY-AAEUAGOBSA-N 319.365 -0.172 30 20 DBED C=CCCN1C[C@H](CNC(=O)c2ccc(=O)n(C)n2)[C@@H](O)C1 958650327 VUNNVEPNJPEMGU-AAEUAGOBSA-N 306.366 -0.621 30 20 DBED N#CCN1C[C@H]2[C@H](NC(=O)c3cccc(OCC(N)=O)c3)[C@H]2C1 960187573 XTYBHMLCTGYYLO-NHAGDIPZSA-N 314.345 -0.266 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H]2CN(C(=O)c3ncn(C)n3)C[C@@H]21 960879377 BRQGREGXDFJHAS-GARJFASQSA-N 318.337 -0.973 30 20 DBED Cc1nc(O)nc(O)c1CC(=O)NC1[C@@H]2CN(CC#N)C[C@@H]12 962130385 MZLOMIQZFIYFCS-NXEZZACHSA-N 303.322 -0.691 30 20 DBED CC(F)(F)C(=O)N1C[C@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 962136642 DOCXWEHBQLHETA-ZJUUUORDSA-N 312.276 -0.157 30 20 DBED COCCn1cc(C(=O)N[C@@H]2CN(CC#N)CC[C@@H]2C)nn1 966000872 TXGLSBLFGZXZDK-NWDGAFQWSA-N 306.370 -0.112 30 20 DBED CCN(C(=O)c1cn(C)c(=O)cn1)C1CN(C(=O)[C@@H](C)C#N)C1 968218729 UTGIEBNGXNZLMM-JTQLQIEISA-N 317.349 -0.387 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)OC)C[C@@H]2O)cn1 969351071 CVGXBEDKJIRSFL-GDLCADMTSA-N 317.345 -0.601 30 20 DBED Cc1c(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)ccn1C 970364172 LYZSUBRNUKDBKP-BIMULSAOSA-N 304.350 -0.205 30 20 DBED CC#CCN1CCO[C@@]2(CCN(C(=O)CN3CCOCC3)C2)C1 972345530 GLERWEQFSFQLCB-KRWDZBQOSA-N 321.421 -0.355 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]2CCN(C(=O)Cn3ncnn3)[C@H]2C1 975974705 ZCIPXKWZDWJXQA-SRVKXCTJSA-N 317.353 -0.718 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)Cn3cncn3)C[C@H]2C1 986601855 VDKOAMBPNDUXAW-XQQFMLRXSA-N 316.365 -0.255 30 20 DBED C#CCN[C@H]1CCN(C(=O)Cn2ncn3nccc3c2=O)[C@H]1C 987114297 WNJUEBKUUBIVGX-RYUDHWBXSA-N 314.349 -0.897 30 20 DBED C#CCN1CC[C@@]2(NC(=O)CN3CCN(C)C(=O)C3)CCC[C@@H]12 991469924 GUCSPKCAFYOUNU-PBHICJAKSA-N 318.421 -0.493 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)[C@H]2CCc3cncn3C2)C1 994616755 SENYGGJITZCWOR-QWRGUYRKSA-N 301.350 -0.068 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)C3(C(N)=O)CC3)C2)cn1 997101353 GVXVLMNXJRKFAT-UHFFFAOYSA-N 312.329 -0.731 30 20 DBED C=C(Cl)CNC1CC(N(C)C(=O)C[C@@H]2NC(=O)NC2=O)C1 998919413 NIJKFNQEDYDWOT-RTBKNWGFSA-N 314.773 -0.084 30 20 DBED CNC(=O)CN1CC=C(CNC(=O)c2cc(C#N)c[nH]2)CC1 1000558437 GZPSDERTLUSJJZ-UHFFFAOYSA-N 301.350 -0.006 30 20 DBED CC(C)C(=O)N1CCC(=O)NCCN(C(=O)[C@@H](C)C#N)CC1 1001725454 VSWQXQLXKMAJSK-LBPRGKRZSA-N 308.382 -0.021 30 20 DBED C[C@H](NC(=O)c1cc(C#N)c[nH]1)C1CN(C(=O)c2cnn[nH]2)C1 1005869018 MJQSBSAORLIMOP-QMMMGPOBSA-N 313.321 -0.105 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CCCN([C@H]3CCNC3=O)C2)c1 1007029677 PAAJAWUHICNBGB-YPMHNXCESA-N 301.350 -0.031 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCCN([C@H](CC)C(N)=O)C2)nn1 1008799478 MFIXFEQFRQIWNY-DGCLKSJQSA-N 320.397 -0.078 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2C[C@@H](C)N(C(=O)CC(N)=O)C2)cn1 1012407895 JZEJXVRLSNAUFB-ZWNOBZJWSA-N 314.345 -0.343 30 20 DBED C#CCCN1CCC2(CC1)C[C@H]2NC(=O)Cn1c(O)nnc1O 1016947152 KPZAYYDDTMSXFW-LLVKDONJSA-N 319.365 -0.317 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(CN(C(=O)c3nccnc3N)C2)C1 1018885395 UQWXLURXGRRENB-JTQLQIEISA-N 314.349 -0.107 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@H](NCCn2cncn2)C1 1018986213 WCZCGZBCNMAWAR-GJZGRUSLSA-N 316.409 -0.434 30 20 DBED C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 1021065800 MUMRNWDRSCWVRN-GUBZILKMSA-N 307.803 -0.333 30 20 DBED Cn1cnc(C(=O)N2CC[C@H]3CN(C(=O)C#CC4CC4)C[C@H]32)n1 1021542804 CBZWVRWAESQROH-QWHCGFSZSA-N 313.361 -0.099 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)C(C)(C)N2CCCC2)C1 1024998668 AVSGWBHRDYLTEJ-JHJVBQTASA-N 322.409 -0.292 30 20 DBED CN(CC#N)[C@H]1CCCN(C(=O)CCn2cc[nH]c(=O)c2=O)C1 1027618994 VNYTUZQANMZRPO-LBPRGKRZSA-N 319.365 -0.627 30 20 DBED N#CCN1CC[C@H](CNC(=O)[C@@H]2CN3CC4CC3(CO2)C4)C1 1028698703 PXFGCUZHONJASE-RXFTYZNJSA-N 304.394 -0.189 30 20 DBED CC#CCN1CC[C@@H](CNC(=O)c2cnc(O)n(C)c2=O)C1 1028734534 ZUULZEZGWHUPEL-NSHDSACASA-N 304.350 -0.439 30 20 DBED C#CCOc1ncccc1C(=O)NC1CN(CC(=O)N(C)C)C1 1031275944 DXEIENPKGZDQFL-UHFFFAOYSA-N 316.361 -0.404 30 20 DBED C=CCN1CC[C@@H](N2CC(CNC(=O)c3ccnnc3)C2)C1=O 1032004271 ABGSSSNPPQZASP-CQSZACIVSA-N 315.377 -0.075 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN([C@@H]2CCCNC2=O)C1 1032827169 NZENTTRASSKSBJ-ZNMIVQPWSA-N 318.421 -0.447 30 20 DBED C#CCCN1CC[C@H](N(C)C(=O)CN2C(=O)NC(=O)C2(C)C)C1 1033555622 RANXAJKPYIEDAT-LBPRGKRZSA-N 320.393 -0.127 30 20 DBED C#CCCN1CCCC[C@@H](NC(=O)CN2CCOCC2=O)C1 1034250670 OCOIVMYVBPEJKK-CQSZACIVSA-N 307.394 -0.161 30 20 DBED C#CCN1CCCC[C@H](NC(=O)c2nccnc2C(N)=O)C1 1034523655 NLGBONRCXJITDA-NSHDSACASA-N 301.350 -0.207 30 20 DBED N#CCN1CCO[C@@H](CNC(=O)C2CCS(=O)(=O)CC2)C1 1035527589 TVVLDDAOZZEMKN-LBPRGKRZSA-N 315.395 -0.848 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2[C@H]3C[C@H]2N(CC(=O)NC2CC2)C3)c[nH]1 1037371508 SOYMSTYSBRTFJM-PSOPSSQASA-N 313.361 -0.033 30 20 DBED CC[C@H]1CN(C(=O)CN2CCC(=O)NC2=O)CC[C@@H]1NCC#N 1037949978 XFUYQUDIYJETGC-RYUDHWBXSA-N 321.381 -0.331 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2CCN2[C@@H](C)C(=O)NC)nn1 1038792790 XTAIQMVZFXITGG-QWRGUYRKSA-N 306.370 -0.597 30 20 DBED C[C@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)Cc2cnn(C)c2)C1 1040762297 HCNILHDRYSZFHU-ABAIWWIYSA-N 319.365 -0.798 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)c2cccnc2)C1 1041195033 QMIKIGSQGAFOIE-UHFFFAOYSA-N 305.334 -0.413 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)[C@@]3(F)CCOC3)C2)nn1 1041304316 JVPNFXGAOUKHMG-JTNHKYCSSA-N 321.312 -0.857 30 20 DBED CC1CC(C(=O)N2CC(O)(CNC(=O)CSCC#N)C2)C1 1041567929 AOLAXILBSRDMRN-UHFFFAOYSA-N 311.407 -0.021 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2cn(C)cn2)C1 1042554595 NTTMFRZLNZXXQO-NSHDSACASA-N 322.365 -0.686 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)c2n[nH]c(C)c2O)C1 1042572629 OGEMQWIRFACYJQ-UHFFFAOYSA-N 320.349 -0.470 30 20 DBED C[C@@H]1CCO[C@@H]1C(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042963557 ORRMJKZZMNLTIV-RISCZKNCSA-N 306.362 -0.486 30 20 DBED Cc1cncn1CC(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042963642 QNIJBQDZQAOZAV-UHFFFAOYSA-N 316.361 -0.706 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)[C@H](F)CC)C1 1043043354 IZIVRRCLDMKBTP-GHMZBOCLSA-N 300.330 -0.538 30 20 DBED C=CCCCC(=O)N1CC(O)(CNC(=O)C[C@H]2CCNC2=O)C1 1043367801 XXYSEQWRXZTIED-GFCCVEGCSA-N 323.393 -0.442 30 20 DBED CO[C@H](C)C(=O)N1CCO[C@@H]2CN(c3cncc(C#N)n3)C[C@@H]21 1043670428 OTVJDCRNZMWFNT-KGYLQXTDSA-N 317.349 -0.201 30 20 DBED Cc1nc(C(=O)N[C@@H]2CN(c3cncc(C#N)n3)C[C@@H]2O)co1 1043914954 WNDWWNATXBWZGV-PWSUYJOCSA-N 314.305 -0.376 30 20 DBED C[C@H]1C[C@H](NCC#N)CCN1C(=O)CN1C(=O)NC(C)(C)C1=O 1044844536 LMYVWLMVJTXNKF-WDEREUQCSA-N 321.381 -0.191 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)Cc2cccnc2)C1 1045540589 JFGQDRRVGFKRBF-LLVKDONJSA-N 302.334 -0.527 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)[C@H]2CC23CCOCC3)C1 1045565317 VGTIAZZZLSXPKT-VXGBXAGGSA-N 321.377 -0.348 30 20 DBED CNC(=O)CN1CC[C@@H](N2CCN(C(=O)[C@H](C)C#N)CC2)C1 1046011663 FWIYDFUHDNUMAJ-CHWSQXEVSA-N 307.398 -0.889 30 20 DBED C#CCN1CC[C@@H](N2CCN(C(=O)Cc3cncnc3)CC2)C1 1046025605 DWJPECGGLJPYQK-MRXNPFEDSA-N 313.405 -0.129 30 20 DBED C#Cc1cncc(C(=O)NCC2(O)CN(C(=O)[C@H](C)C#N)C2)c1 1046332845 YSEPGLDUJNVTLP-LLVKDONJSA-N 312.329 -0.474 30 20 DBED C#CCN1C[C@H]2C[C@H](NC(=O)CN3CCN(C)C(=O)C3)C[C@H]1C2 1047097915 DXYKRZNPUIGWSP-SOUVJXGZSA-N 318.421 -0.637 30 20 DBED C#CCN1C[C@H]2C[C@@H](NC(=O)c3cn(C)c(=O)nc3O)C[C@H]1C2 1047199662 BVNRBXWRDDRETO-QJPTWQEYSA-N 316.361 -0.298 30 20 DBED C=CCOCC(=O)N(C)[C@H]1CN(C(=O)c2ccnnc2)C[C@@H]1O 1048558194 MXYSIFYBSRDEQF-STQMWFEESA-N 320.349 -0.677 30 20 DBED C#CCCCC(=O)N(C)[C@H]1CN(C(=O)c2cnccn2)C[C@@H]1O 1048749914 DRTLAEMUHDFJJJ-KBPBESRZSA-N 316.361 -0.076 30 20 DBED CC(C)OCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C#CC2CC2)C1 1048821536 QJFJSAZLKDHMFK-KBPBESRZSA-N 308.378 -0.145 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCOC2)C1 1048940934 AWRNGKKGMVNIOY-RFGFWPKPSA-N 324.377 -0.909 30 20 DBED N#CCN1CCC2(CC1)CN(C(=O)C[C@@H]1CC(=O)NC1=O)C2 1050775269 KZJICXKHAYRLHG-NSHDSACASA-N 304.350 -0.513 30 20 DBED N#CCN1CCOC[C@H]1CNC(=O)c1cccn2nnnc12 1050934650 RZZJZUYGSZUMAI-SNVBAGLBSA-N 301.310 -0.922 30 20 DBED COCCn1ccc(C(=O)NC[C@H]2COCCN2CC#N)n1 1051019775 GOWQILRQYHTMIN-LBPRGKRZSA-N 307.354 -0.516 30 20 DBED C#CCN1CCN([C@@H]2CCN(C(=O)Cc3nonc3C)C2)CC1 1052104301 ZPHAAKOMXQKWQA-CQSZACIVSA-N 317.393 -0.228 30 20 DBED C[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1CNC(=O)CC(N)=O 1052395920 BWGDMDFJKSHTMD-GXSJLCMTSA-N 317.349 -0.414 30 20 DBED C=C(C)CN1CC2(C[C@@H](NC(=O)C3CS(=O)(=O)C3)CO2)C1 1053814793 WYQQOGLXJJWZHS-GFCCVEGCSA-N 314.407 -0.433 30 20 DBED CN1CCCC[C@@H](C(=O)N[C@H]2COC3(C2)CN(CC#N)C3)C1=O 1053980672 BLDNWTCEMPKVJA-OLZOCXBDSA-N 320.393 -0.272 30 20 DBED C[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1CN=c1cc[nH]c(C#N)n1 1054453820 BXWWKCUZYISGTI-NXEZZACHSA-N 302.338 -0.848 30 20 DBED C=CCOCC(=O)NC[C@H]1CC[C@H](CNC(=O)C(N)=O)CC1 1054849978 WHGZVQGMRVKKEA-HAQNSBGRSA-N 311.382 -0.287 30 20 DBED C[C@@H](C#N)C(=O)N[C@]1(CO)CCCN(C(=O)C(C)(C)C(N)=O)C1 1056096433 IMSPQTWUGCWRDM-ZUZCIYMTSA-N 324.381 -0.873 30 20 DBED CCn1nncc1C(=O)NC1[C@@H]2CN(c3cnc(C#N)cn3)C[C@@H]12 1056200219 CGUOMWFXRSAREL-GHMZBOCLSA-N 324.348 -0.176 30 20 DBED Cc1cc(C#N)nc(N2C[C@H]3[C@H](NC(=O)c4cnn[nH]4)[C@H]3C2)n1 1056469924 DCINURMICJBGIQ-IAZYJMLFSA-N 310.321 -0.361 30 20 DBED C=CCOCCCC(=O)NCCN(CCO)C(=O)COCC 1056864854 PBVLAYSUNJYOBH-UHFFFAOYSA-N 316.398 -0.057 30 20 DBED N#Cc1ccc(N2CCCN(C(=O)C3(C(N)=O)CC3)CC2)nn1 1057222134 DAJUAJOMRGNDET-UHFFFAOYSA-N 314.349 -0.348 30 20 DBED O=C(C[C@@H]1CCOC1)NCCN(CCO)C(=O)C#CC1CC1 1057531381 LXSMLYBCPHUANN-AWEZNQCLSA-N 308.378 -0.237 30 20 DBED Cc1ncc(C(=O)NCCN(CCO)C(=O)[C@H](C)C#N)c(C)n1 1058654833 JJRQISOICUOPRC-SNVBAGLBSA-N 319.365 -0.196 30 20 DBED C#CCNC(=O)CC(=O)NCCN(CCO)C(=O)[C@@H]1C[C@H]1CC 1058907062 HSZIREUKPSAJEQ-CHWSQXEVSA-N 323.393 -0.891 30 20 DBED CC[C@@H](NC(C)=O)C(=O)N(CCO)CCNC(=O)C#CC1CC1 1058925976 GMNMYBZWGPMNAS-CQSZACIVSA-N 323.393 -0.748 30 20 DBED N#Cc1nc(=N[C@H]2C[C@H](NC(=O)Cc3cncnc3)C2)cc[nH]1 1059204310 QQTCZBMXKZNTMB-HAQNSBGRSA-N 309.333 -0.138 30 20 DBED C[C@@]1(C(=O)N[C@H]2C[C@@H](Nc3ccc(C#N)nn3)C2)CCNC1=O 1059823665 UWVDKMZJWDLNDM-JRPNMDOOSA-N 314.349 -0.066 30 20 DBED C=CCCC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1CCC(=O)NC1 1061402475 UHASMKYDHDJTMU-CHWSQXEVSA-N 323.393 -0.178 30 20 DBED C=CCCC(=O)N1CCOC[C@H]1CNC(=O)C1(C(=O)NC)CC1 1061700645 ITMLQACROKLNGZ-GFCCVEGCSA-N 323.393 -0.178 30 20 DBED Cc1ccn(CC(=O)N2CCOC[C@H]2CNC(=O)[C@H](C)C#N)n1 1061853840 VGRPGQPPZCYSDR-DGCLKSJQSA-N 319.365 -0.305 30 20 DBED CC[C@H]1CN(C(=O)C(N)=O)CC[C@H]1Nc1ccc(C#N)nn1 1064413021 NLUOFFWPQVHFFL-GXSJLCMTSA-N 302.338 -0.127 30 20 DBED N#Cc1cnc(NC[C@@H]2CCCN2C(=O)Cn2cnnn2)cn1 1064856029 NDWDSONMRPFWCZ-NSHDSACASA-N 313.325 -0.562 30 20 DBED CCCC(=O)NCC(=O)N1CCO[C@H](CNC(=O)[C@H](C)C#N)C1 1064924271 LMJFJJSCWGDJDG-VXGBXAGGSA-N 324.381 -0.594 30 20 DBED C#CCO[C@H](C)C(=O)N1CCO[C@H](CNC(=O)CSC)C1 1065153302 UCPUJKYFDYEUNC-VXGBXAGGSA-N 314.407 -0.269 30 20 DBED C=CCOCC(=O)N[C@@H]1CCCN(C(=O)CNC(N)=O)CC1 1065985007 KNJZYNLAOARUCP-LLVKDONJSA-N 312.370 -0.645 30 20 DBED Cn1cnc(C(=O)N2C[C@@H]3CN(c4cnc(C#N)cn4)C[C@@H]3C2)n1 1065999520 XZFIDTQYPCGDIM-PHIMTYICSA-N 324.348 -0.315 30 20 DBED N#Cc1cnc(N2C[C@H]3CN(C(=O)Cc4nc[nH]n4)C[C@H]3C2)cn1 1066028287 HTKPIOXPLLEROV-PHIMTYICSA-N 324.348 -0.396 30 20 DBED Cc1ccc(C#N)c(N[C@@H](C)[C@@H]2CN(C(=O)C(N)=O)CCO2)n1 1068243712 MXIXSQXPNYNUCY-JQWIXIFHSA-N 317.349 -0.225 30 20 DBED N#CCN1CCn2ncc(CNC(=O)[C@H]3COCCO3)c2C1 1069853160 CQKDEDNOQCINKD-CYBMUJFWSA-N 305.338 -0.746 30 20 DBED C#CCCN1CCn2ncc(CNC(=O)c3cn(C)nn3)c2C1 1069859086 DPPVXMYSMXHJRS-UHFFFAOYSA-N 313.365 -0.220 30 20 DBED Cc1cc(C(=O)N2C[C@H](n3ccnn3)[C@H](NCC#N)C2)on1 1070137493 LJCXKJGKPWDCMG-MNOVXSKESA-N 301.310 -0.247 30 20 DBED C=CCN1CC2(C1)CN(C(=O)C(N)=O)C[C@H]2c1n[nH]c(C)n1 1070447318 HZNZPMKJDCTSHZ-JTQLQIEISA-N 304.354 -0.988 30 20 DBED N#CCSCC(=O)N1CCC[C@@H](NC(=O)Cn2cnnn2)C1 1070452278 FAWLNEGONWAGJH-SNVBAGLBSA-N 323.382 -0.963 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CCCN(C(=O)CSCC#N)C1 1070452781 YLHYKRKKXXUGGJ-LLVKDONJSA-N 312.395 -0.514 30 20 DBED Cn1cnc([C@@H]2CN(C(=O)C3=COCCO3)C[C@H]2NCC#N)c1 1070465337 XEGPPCXJPFHJOD-WCQYABFASA-N 317.349 -0.284 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC[C@@H](NC(=O)CC(=O)NC)C1 1070727314 WOMPIWZZHDXHEX-VXGBXAGGSA-N 309.366 -0.732 30 20 DBED N#CCN1C[C@H]2C[C@H]3CN(C(=O)[C@]4(F)CCOC4)C[C@@]3(C1)O2 1070843445 UEDHYHWLYKETDI-MYZSUADSSA-N 309.341 -0.060 30 20 DBED C=CCOCC(=O)N[C@@H]1CCCN(C(=O)C[C@@H]2CCC(=O)N2)C1 1070969967 MRVIFIMVMNEWPA-QWHCGFSZSA-N 323.393 -0.035 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H](C)[C@H](NC(=O)c2cnco2)C1 1071940107 SYOKNSXFZRTSSY-WDEREUQCSA-N 318.333 -0.609 30 20 DBED COC(=O)NCC(=O)N[C@H]1CN(C(=O)C#CC(C)C)C[C@@H]1C 1072036685 ZBDNPMHVCKTWIP-RYUDHWBXSA-N 309.366 -0.035 30 20 DBED C=CCCC(=O)N[C@H]1CN(C(=O)Cn2c(O)nnc2O)C[C@H]1C 1072484126 MWNVBJNGDABKNT-ZJUUUORDSA-N 323.353 -0.381 30 20 DBED CC#CCCCC(=O)N1C[C@@H](NC(=O)c2nnn(C)n2)[C@H](C)C1 1072564441 UTHUZLVRWGPKGF-VXGBXAGGSA-N 318.381 -0.020 30 20 DBED CC(C)C#CC(=O)N1CCC(C)(NC(=O)Cn2cnnn2)CC1 1073007846 CNKKHGMEDNIWCB-UHFFFAOYSA-N 318.381 -0.170 30 20 DBED N#CCN1CCCO[C@@H](CNC(=O)[C@H]2CCCCC(=O)N2)C1 1073763042 UEVRLGJJMMJFRT-QWHCGFSZSA-N 308.382 -0.224 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)[C@@H]2CCCN2C(N)=O)C1 1073911321 NCEUPULXAKTYAB-STQMWFEESA-N 308.382 -0.630 30 20 DBED Cn1cc(C(=O)N2CC[C@H]3OCCN(CC#N)[C@H]3C2)ccc1=O 1074284308 NDIWDWUPOCJUKX-UONOGXRCSA-N 316.361 -0.176 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)c3c[nH]c(=O)cn3)C[C@H]21 1074323919 HBWHVSXNUQYPIL-OLZOCXBDSA-N 302.334 -0.682 30 20 DBED Cc1nn[nH]c1C(=O)NCC1(O)CCN(C(=O)[C@@H](C)C#N)CC1 1074707369 YWHWOIJWZWICBG-VIFPVBQESA-N 320.353 -0.644 30 20 DBED CC(C)C#CC(=O)N1CC[C@@H](NC(=O)Cn2ncnn2)C[C@@H]1C 1075004145 LYLMPCPLBTVYPA-QWHCGFSZSA-N 318.381 -0.172 30 20 DBED C[C@@H](CCNC(=O)CSCC#N)NC(=O)CS(C)(=O)=O 1075675883 ROVYYGCKLNEFGF-VIFPVBQESA-N 321.424 -0.701 30 20 DBED C#CCN1C[C@@H]2CCN(C(=O)[C@@H]3CCc4nnc(O)n4C3)[C@@H]2C1 1075964846 MVPGOHHXJCNMGL-YNEHKIRRSA-N 315.377 -0.288 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H](C)CCNC(=O)[C@H](C)NC(N)=O 1076269540 QAFAVQBUFPZDIO-GARJFASQSA-N 314.386 -0.355 30 20 DBED Cn1nnnc1CNC[C@H]1CN(C(=O)C#CC2CC2)CCCO1 1078398723 SBODLOJIRSILNZ-ZDUSSCGKSA-N 318.381 -0.669 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)[C@H]1CCCN(C(=O)C(N)=O)CC1 1078962372 ORYPTWOTVGAJLM-RYUDHWBXSA-N 309.366 -0.651 30 20 DBED C=CCCOCC(=O)N1C[C@H](CNC(=O)COCC)[C@@H](O)C1 1081223358 MIQMPHJYNMLZCQ-STQMWFEESA-N 314.382 -0.449 30 20 DBED C#CCCN1C[C@@H](NC(=O)c2ccnn2CCOC)[C@H](OC)C1 1081834091 SUOWFLATJWRODP-UKRRQHHQSA-N 320.393 -0.018 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCCC[C@H]1CNC(=O)CC(N)=O 1082035287 BJPCYVCJELLQTB-XHDPSFHLSA-N 311.382 -0.314 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CN(CCn3cccn3)C[C@@H]2O)c[nH]1 1083415009 IROISJFZLHRBCY-KGLIPLIRSA-N 314.349 -0.442 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2cnc(OCC3CC3)cn2)C1 1083946640 VOFZHUPCIIRJJD-OLZOCXBDSA-N 317.349 -0.436 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2ccnc(-n3cncn3)c2)C1 1084116160 COKSEDQFMXLKAN-OLZOCXBDSA-N 312.333 -0.930 30 20 DBED Cn1cc([C@@H]2CN(C(=O)c3cnccn3)C[C@H]2NCC#N)cn1 1086964465 FRIAVEQXFYTSME-GXTWGEPZSA-N 311.349 -0.069 30 20 DBED CC#CCN1CC[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@@H]2C1 1088105174 WWXBSVBJNUHMCM-CBBWQLFWSA-N 319.405 -0.177 30 20 DBED C[C@@H](C[C@@H](C)Nc1cncc(C#N)n1)NC(=O)Cn1ncnn1 1089399485 DBVQGPOHUBPRHT-ZJUUUORDSA-N 315.341 -0.270 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2cn3cccnc3n2)[C@H](O)C1 1090384221 IVWIHUDIIKHVGU-ZYHUDNBSSA-N 300.322 -0.582 30 20 DBED CCOCCC(=O)N[C@@H]1CCN(c2nccnc2C#N)C[C@@H]1O 1092154467 WZWUHGLQVLEZBH-YPMHNXCESA-N 319.365 -0.169 30 20 DBED C=CCOCC(=O)N1CCN(c2ncnc3c2nnn3C)CC1 1093142385 ZXMXGTRNASWBTA-UHFFFAOYSA-N 317.353 -0.391 30 20 DBED CCC(=O)NCC(=O)NC1[C@@H]2CN(c3cncc(C#N)n3)C[C@@H]12 1093233727 CZQHLNQWOLREIG-GHMZBOCLSA-N 314.349 -0.575 30 20 DBED Cn1nc2c(c1C(=O)NCCN=c1cc[nH]c(C#N)n1)CCC2 1093743113 HJEMIOKUKYYVEB-UHFFFAOYSA-N 311.349 -0.166 30 20 DBED N#Cc1nccnc1NCCNC(=O)CCCn1cncn1 1093853216 IXWRUTCALRFBEW-UHFFFAOYSA-N 300.326 -0.052 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)c3n[nH]c(C)c3O)CC2=O)C1 1094721728 JMBGYRMBBUSWNY-JTQLQIEISA-N 319.365 -0.375 30 20 DBED C=C(C)CN1CC(N2C[C@@H](NC(=O)c3ncn(C)n3)CC2=O)C1 1094735977 YQMPCVUSSAEEPO-NSHDSACASA-N 318.381 -0.594 30 20 DBED C[C@@H](CC(N)=O)C(=O)N1CC[C@@H](N=c2cc[nH]cc2C#N)C1 1095077620 RNKMJDVKUYFLMD-CMPLNLGQSA-N 301.350 -0.101 30 20 DBED C[C@@H](CC(N)=O)C(=O)NC1CCN(c2ccnc(C#N)n2)CC1 1095438395 MYTONLYCHCPBGE-JTQLQIEISA-N 316.365 -0.055 30 20 DBED CS(=O)(=O)CC(=O)N[C@@H]1CCN(c2ccncc2C#N)C1 1096342924 LTNUUGNQCFDJOP-LLVKDONJSA-N 308.363 -0.307 30 20 DBED N#Cc1cnc(N[C@H]2C[C@H](NC(=O)C(=O)NCC(F)F)C2)cn1 1097078070 HZHZOWFTRBLOLB-ZKCHVHJHSA-N 324.291 -0.211 30 20 DBED Cc1cc(C#N)nc(N[C@H](C)CNC(=O)Cn2ncnn2)n1 1098084851 WJDWVNOFNRQVHU-SECBINFHSA-N 301.314 -0.740 30 20 DBED C[C@H](CNC(=O)[C@H]1CCC(=O)NC1)Nc1cncc(C#N)n1 1098397747 TUURDAULYNHVFU-ZJUUUORDSA-N 302.338 -0.209 30 20 DBED C#CCNCc1cn([C@H]2CCN(C(=O)c3cn(C)cn3)C2)nn1 1098654927 CYTPGYQTOBXYIH-ZDUSSCGKSA-N 313.365 -0.178 30 20 DBED Cn1cnnc1CN1CC[C@H](NC(=O)CSCC#N)[C@H](O)C1 1099688776 AORCCBTYMGSJAK-WDEREUQCSA-N 324.410 -0.877 30 20 DBED CC(C)CNC(=O)CN1CC[C@@H](NC(=O)C#CC2CC2)[C@H](O)C1 1099826490 LRVSJKUUPAXFSQ-HUUCEWRRSA-N 321.421 -0.277 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)C2(C)CC(=C)C2)[C@@H](O)C1 1099994220 MTLGWSCJKCIASS-KGLIPLIRSA-N 319.405 -0.357 30 20 DBED N#Cc1cncc(N2CCC[C@H]2CNC(=O)Cn2cnnn2)n1 1100776925 VENQOPGUPJFEHC-NSHDSACASA-N 313.325 -0.880 30 20 DBED CN(CCN=c1cc[nH]cc1C#N)C(=O)c1c[nH]c(C(N)=O)c1 1101621194 GGNZRSZIJKNCIR-UHFFFAOYSA-N 312.333 -0.014 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CC2(CN(CCO)C2)n2ccnc21 1101629563 WATNTSJPAHOBNN-CHWSQXEVSA-N 318.377 -0.514 30 20 DBED CCC(=O)NCC(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(C#N)n1 1102539085 JKJYJPVINVOLRB-RYUDHWBXSA-N 314.349 -0.336 30 20 DBED CCN(C(=O)CNC(N)=O)[C@@H]1CCN(c2cncc(C#N)n2)C1 1102780361 YNBSNWZCWNGTLQ-LLVKDONJSA-N 317.353 -0.556 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1CCNC(=O)c1cn(C)c(=O)cn1 1103250972 PSGNRBZONZXKNN-VXGBXAGGSA-N 303.366 -0.008 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)CNc1ccc(C#N)nc1 1104184106 VNIFAYODGLVFHU-SKDRFNHKSA-N 302.338 -0.201 30 20 DBED CC(C)[C@@H](CNC(=O)Cn1ncnn1)Nc1cnc(C#N)cn1 1105234502 AQFKNZWCFDVMAU-LLVKDONJSA-N 315.341 -0.412 30 20 DBED C=CCCNCc1cn(C2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)nn1 1105235870 XIWAWDGINSCQQF-CHWSQXEVSA-N 320.353 -0.008 30 20 DBED Cc1cc(C(=O)NC[C@H](O)CNc2cncc(C#N)n2)ncn1 1105788092 FKUHAAZIRHWOPP-LLVKDONJSA-N 313.321 -0.351 30 20 DBED Cc1nnc(CC(=O)NC[C@@H](O)CN=c2cc[nH]cc2C#N)o1 1105816155 RIHUXRXCRUSACW-NSHDSACASA-N 316.321 -0.802 30 20 DBED Cn1ncc2c(NC[C@@H](O)CNC(=O)C#CC3CC3)ncnc21 1105825713 NVKLFLUNBMLLGB-NSHDSACASA-N 314.349 -0.334 30 20 DBED CN1CC[C@H](C(=O)NC[C@@H](O)CNc2ccc(C#N)cn2)C1 1105853027 FJUTXNXHRDSCCN-STQMWFEESA-N 303.366 -0.206 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](O)CNC(=O)c2ccncn2)n1 1105931378 OVOXRXIDSZZIEC-NSHDSACASA-N 313.321 -0.351 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)c1ncn(C)n1 1106749307 RLHOFTCYQFAJHQ-UHFFFAOYSA-N 300.326 -0.527 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)CS(=O)(=O)N(C)C)C[C@H]1C 1106935000 DUVBVKGOHQNHLQ-CHWSQXEVSA-N 315.439 -0.415 30 20 DBED C=CCNC(=O)[C@H](C)N1CC(n2cc(CNC(C)=O)nn2)C1 1107105410 JNFSRUWYJCWMKA-JTQLQIEISA-N 306.370 -0.538 30 20 DBED N#Cc1ccc(NC/C=C/CNC(=O)Cn2cnnc2O)nn1 1107133062 AGLPSPFBRIZRNH-OWOJBTEDSA-N 314.309 -0.570 30 20 DBED N#Cc1nccnc1NC/C=C/CNC(=O)CCn1cnnn1 1107300893 ZPLGUOLQVGRPPW-OWOJBTEDSA-N 313.325 -0.491 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](C)NC(=O)CS(C)(=O)=O)n1 1107638369 YFVLDNVVISOUCM-SECBINFHSA-N 311.367 -0.382 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)[C@@H](OC)C3CCC3)CC2=O)C1 1108558989 LJCHPNQNKJSYLD-BBRMVZONSA-N 319.405 -0.164 30 20 DBED C[C@H](CN(C)c1nccnc1C#N)NC(=O)C[C@H]1CCC(=O)N1 1109005957 BFVINDQEDJASPG-GHMZBOCLSA-N 316.365 -0.042 30 20 DBED N#Cc1cccnc1NC[C@H](NC(=O)Cn1cnnn1)C1CC1 1109775177 CIBORDNCLPZWSP-LBPRGKRZSA-N 312.337 -0.053 30 20 DBED N#Cc1cncc(NC[C@H](NC(=O)[C@H]2CCNC2=O)C2CC2)n1 1109946373 RHGXNYCCXFZOTK-RYUDHWBXSA-N 314.349 -0.209 30 20 DBED N#Cc1nccnc1NC[C@@H](NC(=O)[C@H]1CNC(=O)N1)C1CC1 1109963669 MHHPYVUCPDRQOH-GHMZBOCLSA-N 315.337 -0.664 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H](NC(=O)[C@@H]1CNC(=O)N1)C1CC1 1109963798 PIPDPOQZXSPMIZ-STQMWFEESA-N 314.349 -0.637 30 20 DBED N#Cc1ccc(NC[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C2CC2)nn1 1109978406 QYAGZQKORFRJOF-GRYCIOLGSA-N 314.349 -0.224 30 20 DBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cc[nH]c1 1110585103 YFEJPHUERLUNRF-UPJWGTAASA-N 301.350 -0.010 30 20 DBED Cn1ccc(C(=O)N(CCO)CCNc2nccnc2C#N)n1 1111476562 PJZOOPAFBRZEOP-UHFFFAOYSA-N 315.337 -0.372 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CCCN(c2nccnc2C#N)CC1 1111984375 XSWBIHFMYFRJDB-LLVKDONJSA-N 316.365 -0.041 30 20 DBED CN(CCCN(C)c1cncc(C#N)n1)C(=O)c1nnn(C)n1 1112156411 LGXUPFSWTUXABF-UHFFFAOYSA-N 315.341 -0.530 30 20 DBED CSCC(=O)NC[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1O 1112700407 SFHCLWQUKHEWKB-MWLCHTKSSA-N 307.379 -0.375 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)[C@]2(F)CCOC2)CC1 1113257119 PSTJWUGGOZPVAL-WFASDCNBSA-N 313.373 -0.050 30 20 DBED C=CCCCN1CCN(C(=O)CN2C(=O)CN(C)C2=O)CC1 1113614596 PMSLAWDRTVDMMD-UHFFFAOYSA-N 308.382 -0.009 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3cc(C)nn3C)[C@H]2C1 1113943374 WRWDMMWJTZLZAM-RYUDHWBXSA-N 315.377 -0.862 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)Cc3cnn(C)c3)[C@H]2C1 1113993270 VXQQLIDEMCKFET-STQMWFEESA-N 317.393 -0.689 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1[C@@H]2CN(CCN3C(=O)CCC3=O)C[C@@H]21 1114072387 QZBOCGFIJICOEQ-PUHVVEEASA-N 304.350 -0.659 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)COC(C)(C)C)[C@H]2C1 1114163065 AASMIZWENYCBDF-RMRHIDDWSA-N 321.421 -0.014 30 20 DBED C=CCCCN1C[C@@H]2C(NC(=O)C[C@@H]3NC(=O)NC3=O)[C@H]2C1 1114420508 HLUYRIBHHMJXAA-DCAQKATOSA-N 306.366 -0.403 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)c3c(C)cnn3C)[C@@H]2C1 1114707622 NROCBIRBQYXVEI-VXGBXAGGSA-N 315.377 -0.862 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)C3CC4(CC4)C3)[C@H]2C1 1114819388 OMKCDSDHDCIELB-NHAGDIPZSA-N 301.390 -0.028 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)[C@H]2C1 1114858434 AMVNNCUMIULZBH-DGTMBMJNSA-N 319.405 -0.098 30 20 DBED C#CCCN1C[C@H]2C(NC(=O)CCC(=O)N3CCOCC3)[C@@H]2C1 1115208646 HJYWKWMMHYJONR-ZIAGYGMSSA-N 319.405 -0.305 30 20 DBED C=CCOCCN1C[C@@H]2C(NC(=O)CN3C(=O)CCC3=O)[C@H]2C1 1115216327 GRRATVJQJAUJRG-RYUDHWBXSA-N 321.377 -0.616 30 20 DBED C=C[C@H](COC)NC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 1116618856 FOTBKVTZQYCTLA-JKKYPKHBSA-N 308.334 -0.534 30 20 DBED COc1nccc(NC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)n1 1118140404 OMGOSVOZPRSVMB-ZDUSSCGKSA-N 305.294 -0.699 30 20 DBED C=CCN(C(=O)C(=O)N1CC[C@](O)(CC#N)C1)[C@@H](C)COC 1118468368 QREIHEVYFLRUNM-SWLSCSKDSA-N 309.366 -0.087 30 20 DBED C[C@H](CN(C)C(=O)C[C@H]1CCNC1=O)N=c1cc[nH]c(C#N)n1 1120192638 HFNYLIZJLXKHHY-GHMZBOCLSA-N 316.365 -0.445 30 20 DBED N#Cc1c(F)cccc1N[C@@H](CO)CNC(=O)[C@H]1CCC(=O)N1 1121331001 AMBKVBKJXAVVHB-NOZJJQNGSA-N 320.324 -0.135 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)Cc2cccnc2)nn1 1121446634 OFIPSJYHXCKKLB-ZDUSSCGKSA-N 312.333 -0.125 30 20 DBED CNC(=O)CCCC(=O)NC[C@@H](CO)Nc1ncccc1C#N 1121463852 ICFFAYADJCXNHU-LBPRGKRZSA-N 319.365 -0.241 30 20 DBED Cc1ccnn1CC(=O)NC[C@@H](CO)N=c1cc[nH]cc1C#N 1122688815 VAYXXEDWCRWSTP-ZDUSSCGKSA-N 314.349 -0.531 30 20 DBED CCC(=O)N[C@H](C)C(=O)NC[C@H](CO)Nc1nccnc1C#N 1122752259 KSTWBZNKOOGRDO-NXEZZACHSA-N 320.353 -0.848 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)[C@@H]1C[C@@H]1OCC 1124141522 VTJJNWWWJLNVJP-MNOVXSKESA-N 312.370 -0.871 30 20 DBED CN(C[C@@H](O)CN(C)c1ccncc1C#N)C(=O)c1cnon1 1125140166 UTDJXWIZRJPATR-NSHDSACASA-N 316.321 -0.094 30 20 DBED N#CCNC(=O)CNCCNC(=O)[C@@H]1CCCn2nccc21 1130437415 KCBGRGAZXCICKF-LLVKDONJSA-N 304.354 -0.894 30 20 DBED CNC(=O)CN[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1c1cncn1C 1130940587 DIHJZFJPXZFSEA-QJPTWQEYSA-N 318.381 -0.790 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1ccc2cncn2c1 1131370115 DKDWYZZECSUCOS-UHFFFAOYSA-N 301.350 -0.044 30 20 DBED C[C@@H]1CC[C@H](NC(=O)CSCC#N)CN1Cc1nnn(C)n1 1131827102 VXKDPOJLZQRFRG-MNOVXSKESA-N 323.426 -0.064 30 20 DBED COCC#CCN1C[C@@H](NC(=O)Cn2nccn2)CC[C@H]1C 1132060595 IDRIUBCDXZZAFV-KGLIPLIRSA-N 305.382 -0.103 30 20 DBED C=CCOCCNCCNC(=O)c1ccnc2c1nnn2C 1132949796 FWWCMQFGCUUQEO-UHFFFAOYSA-N 304.354 -0.115 30 20 DBED C[C@@H](C[C@@H](C)NCCNS(C)(=O)=O)NC(=O)C#CC1CC1 1134321247 GHXFXBZLCHABCS-NEPJUHHUSA-N 315.439 -0.178 30 20 DBED C#CCCN[C@@H](C)C[C@@H](C)NC(=O)CN(C)S(C)(=O)=O 1134508468 CLHZXWJEFSURKM-NWDGAFQWSA-N 303.428 -0.226 30 20 DBED C#CCCN[C@@H](C)C[C@H](C)NC(=O)CN1CCCS1(=O)=O 1134557833 RHWSTWUOKMPOHO-STQMWFEESA-N 315.439 -0.082 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NCCN[C@@H]1CCCN(C)C1=O 1134816653 GNVGFYGZVKVVHE-KGLIPLIRSA-N 324.425 -0.216 30 20 DBED C#CCN[C@H](C)C[C@@H](C)NC(=O)c1c[nH]nc1S(N)(=O)=O 1135458961 BKTGGYYTHPXUGW-RKDXNWHRSA-N 313.383 -0.823 30 20 DBED CCN(CC(=O)N1CCOCC1)[C@H](C)CNC(=O)[C@H](C)C#N 1152449577 DVSTZIMFJJXKCN-CHWSQXEVSA-N 310.398 -0.169 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H](C)N(CC)CC(=O)NCC=C 1152882986 NJJZYRNCDJPWTM-CYBMUJFWSA-N 322.409 -0.745 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)Cc1cnoc1 1154789194 HLFGJUHNVBYRDS-LLVKDONJSA-N 307.354 -0.317 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)c1cc(CC)[nH]n1 1154872680 VRSHGSSNSXRBLA-NSHDSACASA-N 305.382 -0.181 30 20 DBED C[C@H](C#N)C(=O)NCCC1(CN[C@H]2CCC(=O)NC2=O)CC1 1163859573 FVNXOGRZQUEXFQ-MNOVXSKESA-N 306.366 -0.173 30 20 DBED C#CCNC(=O)CNCCCNC(=O)C[C@@H](C)n1ccc(C)n1 1163867082 UXNFINBASIGWSM-CQSZACIVSA-N 319.409 -0.012 30 20 DBED CC(C)N1CCCC[C@H]1C(=O)NCCCNCC(=O)NCC#N 1167626699 FUARAIGKSKKBTK-AWEZNQCLSA-N 323.441 -0.015 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)c1cc(COC)on1 1167751224 SVNKELLFAUDXBE-LLVKDONJSA-N 322.365 -0.332 30 20 DBED C#CCNCC1(CCNC(=O)CC[C@@H]2NC(=O)NC2=O)CC1 1168032366 HDWIHOZUUPTQSZ-NSHDSACASA-N 306.366 -0.516 30 20 DBED C=CCOCCNCCCNC(=O)CN(C)S(=O)(=O)CC 1169808913 XMYZMZLDTQOTOK-UHFFFAOYSA-N 321.443 -0.434 30 20 DBED COCC#CCNCCCNC(=O)CCCN1C(=O)CNC1=O 1175673078 OWIFSOGYAWRGEK-UHFFFAOYSA-N 324.381 -0.936 30 20 DBED C#CCNC(=O)CNCCCCCCNC(=O)[C@H]1CCNC1=O 1179231281 XOVYOMJPOWMSOL-CYBMUJFWSA-N 322.409 -0.862 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)CC2OCCCO2)C1 1182172448 BZHAFZMUHGJPJF-QWHCGFSZSA-N 323.393 -0.532 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)C2CC(OCC)C2)C1 1182295134 AMXIGYGDIVGYNX-ROKHWSDSSA-N 307.394 -0.259 30 20 DBED C=CCNC(=O)CN1C[C@@H]2CCN(C(=O)Cn3cccn3)[C@@H]2C1 1186837506 UHSCVPNCWDUPGL-UONOGXRCSA-N 317.393 -0.282 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@H]2CN(CC(=O)N3CCC3)C[C@H]21 1187882387 ODZZYBQTTVFJIY-QLFBSQMISA-N 319.405 -0.210 30 20 DBED C=CCCC(=O)N[C@@H]1CN(CC(=O)N(C)CC2CC2)C[C@H]1O 1191622409 LQTVTBSQLCFTEX-ZIAGYGMSSA-N 309.410 -0.018 30 20 DBED C=CCOCC(=O)N[C@@H]1CN([C@@H](C)c2noc(C)n2)C[C@H]1O 1191772189 XGXXZSJEEMJJRX-MVWJERBFSA-N 310.354 -0.197 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 1192061880 WROHKVMIRPYDHL-NSHDSACASA-N 308.382 -0.913 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(CC(=O)N(C)C2CC2)C[C@H]1O 1192503377 BSPMIWWKDKMHOB-ZIAGYGMSSA-N 307.394 -0.428 30 20 DBED C#CCCN(C)[C@H]1CCN(C(=O)CN(C)S(=O)(=O)CC)C1 1193205765 WMUQSHVNFSNWKD-ZDUSSCGKSA-N 315.439 -0.176 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)CCC(F)F)C1 1194746711 ZQQSXTZDTLSXAD-GMTAPVOTSA-N 319.352 -0.116 30 20 DBED C=CCOCCN1CCCN(C(=O)Cn2cnnc2O)CC1 1195541493 WPPHDESEPJPICZ-UHFFFAOYSA-N 309.370 -0.279 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCCN([C@@H]2CCC(=O)NC2=O)CC1 1195681858 KVMNGJSTPAOMMF-WBMJQRKESA-N 323.393 -0.347 30 20 DBED CC(C)C#CC(=O)N1CCCN([C@H](C)C(=O)NC(N)=O)CC1 1195754480 OSZOYEAHRQSGQO-GFCCVEGCSA-N 308.382 -0.237 30 20 DBED C#CCNC(=O)[C@H](C)N1CCCN(C(=O)C(C)(C)C(N)=O)CC1 1196215856 WREIBQVSLIIJQN-LBPRGKRZSA-N 322.409 -0.830 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)COC[C@@H](C)N2CCCC2)C1 1196252342 ZNAZSBKXUWEHPT-BZUAXINKSA-N 323.437 -0.328 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)CNC(=O)c2ccccn2)C1 1198983609 ZHORWBOBPGYXCL-CHWSQXEVSA-N 304.350 -0.841 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)CNC(=O)CCC)CC1 1199576963 XPDQYADLVZFQPR-UHFFFAOYSA-N 324.425 -0.215 30 20 DBED CC(C)N1C[C@H](C(=O)N2CCCO[C@@H](CNCC#N)C2)CC1=O 1200634459 DUNXZVYTWUAKAL-KGLIPLIRSA-N 322.409 -0.026 30 20 DBED C#CCNC[C@@H]1CN(C(=O)Cc2cn(CC)nn2)CCCO1 1201041686 FVZJRNAXXCEQFG-CQSZACIVSA-N 305.382 -0.319 30 20 DBED C[C@@H]1C[C@H]1C(=O)N1CCCO[C@@H](CNCC(=O)NCC#N)C1 1201154616 HHKIKDUXAUOKQN-FRRDWIJNSA-N 308.382 -0.511 30 20 DBED CC#CCNC[C@H]1CN(C(=O)CN2C(=O)CCC2=O)CCCO1 1202022054 SLCSNJNSHMTDMD-ZDUSSCGKSA-N 321.377 -0.634 30 20 DBED COCC#CCN[C@H]1CCCN(C(=O)C(=O)NCC(F)F)C1 1208477306 DVVGYZUGJNAYDG-NSHDSACASA-N 317.336 -0.402 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@@H](COC)OC)C1 1209544718 XJAFIGLGNLJOLE-CHWSQXEVSA-N 313.398 -0.469 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)Cn2ccnc2C)C1 1211093374 WQXMEQHGTIXTBE-CQSZACIVSA-N 317.393 -0.478 30 20 DBED C=C(Cl)CN[C@H]1CCCN(C(=O)CS(=O)(=O)NC)C1 1211126325 QIBZDAVIROMWCG-JTQLQIEISA-N 309.819 -0.131 30 20 DBED C=CCCOCC(=O)N1CCC[C@H](N[C@H]2CCC(=O)NC2=O)C1 1211355013 KUJGDWCBJZBOGN-STQMWFEESA-N 323.393 -0.035 30 20 DBED C=C(Cl)CN1C[C@@H](NC(=O)[C@@H](C)S(C)(=O)=O)[C@H](OC)C1 1212467144 STSOBCYPPCNQOS-GMTAPVOTSA-N 324.830 -0.013 30 20 DBED CC[C@H](F)C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1OC 1213268770 RTAOPNWBJLTBGX-HBNTYKKESA-N 300.334 -0.810 30 20 DBED C[C@@H]1CN(C(=O)C[C@](C)(O)C2CC2)C[C@H]1NCC(=O)NCC#N 1214452255 KLEBBLBTXKWNEF-KFNAQCHYSA-N 322.409 -0.386 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CCCNC2=O)C[C@H]1C 1214902364 LWIDQMCGVGNAHQ-JHJVBQTASA-N 322.409 -0.749 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)c2ccc[nH]2)C1 1219175459 ISPHBGNKMTVZOR-RTXFEEFZSA-N 306.366 -0.520 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)[C@@H](C)n2cccn2)C1 1219216633 RQCWMQOMSHORRA-MCIONIFRSA-N 308.382 -0.192 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CN(Cc2cn(CC3CC3)nn2)C[C@@H]1O 1219379457 UDGVXRULOJMUTM-GDLCADMTSA-N 318.381 -0.491 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CN(CCn2cc(Cl)cn2)C[C@@H]1O 1219381051 GFVOSHUNJINQPD-WCQGTBRESA-N 311.773 -0.143 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)CNS(=O)(=O)CCCC)C1 1220862524 GRMOOFYNCKRTED-NEPJUHHUSA-N 319.427 -0.947 30 20 DBED C#CCNC(=O)CC(=O)NCC1CCN(CCOCC)CC1 1222920829 NFRWEONBCYCYIQ-UHFFFAOYSA-N 309.410 -0.009 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CCN(C(=O)CCN(C)C)C[C@@H]21 1223430091 GIEBZSMCJACEIP-CABCVRRESA-N 320.437 -0.390 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC(NC(=O)[C@@]23COC[C@@H]2C3)CC1 1227464768 QGQPPZIVDJJSRJ-IGCXYCKISA-N 319.405 -0.259 30 20 DBED C=C(C)CN[C@@H]1CCCC[C@H]1NC(=O)CNS(=O)(=O)NC 1227742919 YMNGBXOUFBLDGW-VXGBXAGGSA-N 318.443 -0.367 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)[C@@H]2CC[C@@H]2C(N)=O)CC1 1228588513 GNZMNPRBGVSJPW-QWHCGFSZSA-N 322.409 -0.619 30 20 DBED N#CCN1CCC(NC(=O)CCCN2C(=O)CNC2=O)CC1 1230226299 GLZVHPNBFQYKOX-UHFFFAOYSA-N 307.354 -0.577 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@H](NC[C@@H](O)COC)C2)cn1 1267023093 UBHQFYQXIQVNCX-LSDHHAIUSA-N 303.362 -0.126 30 20 DBED CC(C)=CCNC(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1322760441 PXAZDTVDPAGLJN-OUKQBFOZSA-N 320.349 -0.289 30 20 DBED C#C[C@H](NC(=O)C(=O)NCCOC(F)(F)F)[C@H]1CCCO1 1323495684 OCSSFUKMRFIENS-DTWKUNHWSA-N 308.256 -0.064 30 20 DBED C=C[C@H]1CCCCN1C(=O)C(=O)N1CCO[C@@H](C(=O)OC)C1 1325136721 ZLWBVUYCQOQTTA-NWDGAFQWSA-N 310.350 -0.046 30 20 DBED N#Cc1cccnc1NCCNCC1(O)CCS(=O)(=O)CC1 1325871660 PZGCHXFZOKPDAZ-UHFFFAOYSA-N 324.406 -0.106 30 20 DBED CCN(CCC#N)C(=O)C(=O)Nc1ccn(CC(=O)N(C)C)n1 1326030670 KFBDJGOCKHVQSB-UHFFFAOYSA-N 320.353 -0.328 30 20 DBED CC#CCN(C)c1nnnn1C[C@@H]1CC[C@@H](C(=O)N(C)C)O1 1335865654 GTLDCBDKFOVPTQ-RYUDHWBXSA-N 306.370 -0.232 30 20 DBED C#CCN1CCN(c2nnc(Cn3cnc(C#N)n3)n2C)CC1 1339499207 FUBXVKINUBEOBZ-UHFFFAOYSA-N 311.353 -0.918 30 20 DBED CS/C=C\C(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1 1341905356 ZMDNTHQXUNLZKK-JHYPKJRRSA-N 302.377 -0.171 30 20 DBED C[C@@H]1CC(NC(=O)C(=O)N2CC[C@](O)(CC#N)C2)C[C@@H](C)O1 1345868031 JOCYWIJGTOSNDL-UEKVPHQBSA-N 309.366 -0.064 30 20 DBED C#CCN(C)c1nnc(Cn2cc(CCO)nn2)n1CC1CC1 1346790626 UCBDTDQRPSSNBW-UHFFFAOYSA-N 315.381 -0.068 30 20 DBED COC(=O)NC1CCN(C(=O)C(=O)N(C)C[C@@H](C)C#N)CC1 1347221962 DTRUFGDJZLLQLE-JTQLQIEISA-N 310.354 -0.049 30 20 DBED C=CCCO[C@H](C)C(=O)NCCc1nnc2n1CCNC2=O 1347318504 ZTVDTKQOQNMCDW-SNVBAGLBSA-N 307.354 -0.339 30 20 DBED CC(C)N1CCC(NC(=O)Cn2cc(C#N)c(O)nc2=O)CC1 1361603294 RUNCIXBYHIQNPG-UHFFFAOYSA-N 319.365 -0.190 30 20 DBED Cc1c(Cl)cnc(N2C[C@H](C(N)=O)[C@@H](C(N)=O)C2)c1C#N 1364229876 OWFHLEKYJCXLSM-IUCAKERBSA-N 307.741 -0.062 30 20 DBED CN(CCS(N)(=O)=O)CC(=O)NCc1cccc(C#N)c1 1364504168 XLAABDALGUYVKE-UHFFFAOYSA-N 310.379 -0.605 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)NCc1nnc2n1CCOC2 1364855632 UIUKTNXMNVGAJH-SECBINFHSA-N 314.371 -0.766 30 20 DBED N#Cc1nccnc1NC[C@H]1CCN(C(=O)Cn2cncn2)C1 1365713024 CETISUCLZPXOFM-LLVKDONJSA-N 312.337 -0.100 30 20 DBED CNC(=O)NCC(=O)N(C)C[C@H](C)NC(=O)c1cc(C#N)c[nH]1 1382024000 GJMPHWRKQBXCTO-VIFPVBQESA-N 320.353 -0.608 30 20 DBED CO[C@@H](C)CC(=O)NCCN1CCN(C(=O)[C@@H](C)C#N)CC1 1385548050 LIHOUIWMHZOQHY-STQMWFEESA-N 310.398 -0.169 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)C[C@@H]2CCCC(=O)N2)C1 1397225407 FTXUEJQLYPAECH-WRWGMCAJSA-N 306.366 -0.032 30 20 DBED CC(=O)N1CCC[C@H](C(=O)NCCN(C)C(=O)[C@H](C)C#N)C1 1397974016 ONAJJCWZNXRMDC-YPMHNXCESA-N 308.382 -0.021 30 20 DBED CNC(=O)NCC(=O)NC[C@@H]1CCCN(C(=O)[C@H](C)C#N)C1 1407936259 DVEAVADJOQCGER-MNOVXSKESA-N 309.370 -0.570 30 20 DBED CC(=O)N[C@@H](C)C(=O)N1CC(CNC(=O)c2cc(C#N)c[nH]2)C1 1409133327 ZYPCNJNUDADLGE-VIFPVBQESA-N 317.349 -0.401 30 20 DBED N#Cc1cn(CCNC(=O)C2(O)CCCCC2)c(=O)nc1O 1418536711 QYCCZFNNDNTELK-UHFFFAOYSA-N 306.322 -0.368 30 20 DBED C[C@H](C#N)C(=O)N(C)CCN(C)C(=O)CN(C)C(=O)C1CC1 1431399767 YPJPSPZNZURVHZ-LLVKDONJSA-N 308.382 -0.069 30 20 DBED CCCn1cc(CNS(=O)(=O)N2CCO[C@@H](C#N)C2)nn1 1434612273 ZYYMTZXAUODGBX-NSHDSACASA-N 314.371 -0.753 30 20 DBED C[C@H](C#N)C(=O)N1CCCO[C@@H](CNC(=O)Cc2nc[nH]n2)C1 1445260960 NXWPHBBKXFVHQW-MNOVXSKESA-N 320.353 -0.759 30 20 DBED COCCN(CCNC(=O)[C@@H](C)C#N)C(=O)c1[nH]c(O)nc1C 1452152514 SGUQFOBQHGQTER-VIFPVBQESA-N 323.353 -0.212 30 20 DBED Cn1cnnc1[C@@H]1CCCN1c1[nH]c(=O)n(C)c(=O)c1C#N 1458304332 NSOGIMHOICQAQN-VIFPVBQESA-N 301.310 -0.585 30 20 DBED Cn1cc(C(=O)N2CCO[C@H](C#N)C2)c(=O)c2cnn(C)c21 1464839170 FTTCCEWRQWCUQG-SECBINFHSA-N 301.306 -0.363 30 20 DBED C[C@@H](C(=O)N1CCC(C(=O)NCCO)CC1)n1cnc(C#N)n1 1470644375 MPUBNTCBNCGDDE-JTQLQIEISA-N 320.353 -0.942 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CCN(CC(=O)NCC(C)C)C1 1479952233 IGGOIGNEXFCIDG-UONOGXRCSA-N 309.410 -0.013 30 20 DBED Cn1c(C(=O)O)cnc1NC(=O)N1CCN(C(=O)CC#N)CC1 1574209995 UUUYRBXTRFEIGN-UHFFFAOYSA-N 320.309 -0.292 30 20 DBED C#CCO[C@@H](C)C(=O)N(CC)CCN=c1cc[nH]c(C(=O)O)n1 1588489700 BIXIHVCNDBNROB-NSHDSACASA-N 320.349 -0.105 30 20 DBED C=C[C@@H](COC)NC(=O)CNc1ccc(-c2nn[nH]n2)cn1 1588525974 OQQDTPOMNDJEAL-JTQLQIEISA-N 303.326 -0.009 30 20 DBED CC#CCCCC(=O)NC[C@H](CO)N=c1cc[nH]c(C(=O)O)n1 1588924757 DOICUTJMECJJAG-LLVKDONJSA-N 320.349 -0.321 30 20 DBED COC(=O)[C@H]1CN(C(=O)c2ccc(C#N)cn2)C[C@H]1C(=O)O 1598817783 OGBUWBHBDIAYJM-ZJUUUORDSA-N 303.274 -0.101 30 20 DBED C[C@H](C(=O)N(C)CCC#N)N1CC[C@@H](n2cc(C(=O)O)nn2)C1 1609631824 RDSPBUIZKYFCBY-GHMZBOCLSA-N 320.353 -0.016 30 20 DBED C=CCNC(=O)CN[C@@H](C)CCNC(=O)[C@]1(C)CCNC1=O 1733905978 PSYNATOFRWJYHO-NHYWBVRUSA-N 310.398 -0.701 30 20 DBED Cc1nnsc1C(=O)NCC[C@@H](C)NCC(=O)NCC#N 1753002975 IPUSKSDGGUQKDQ-MRVPVSSYSA-N 310.383 -0.416 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H](C)CCNC(=O)c1cnc(C)n1C 1753012974 SWNIIDFVAUPAAF-VXGBXAGGSA-N 319.409 -0.036 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@H]1CCCN1CC(=O)NC(N)=O 1753105776 REQBZMWDOGJFNT-QMTHXVAHSA-N 312.370 -0.911 30 20 DBED C=CCNC(=O)CNCC[C@H](C)NC(=O)c1cc(=O)n(C)cn1 1753972606 YJOFDWHEPIDGNT-NSHDSACASA-N 321.381 -0.820 30 20 DBED CCN(CCNCC#CCOC)C(=O)[C@]1(C)CCNC(=O)C1 1754051819 POLHUBVHKXRLEQ-MRXNPFEDSA-N 309.410 -0.009 30 20 DBED C=CCNC(=O)[C@H](C)N(C)C[C@H](C)NC(=O)Cc1nc[nH]n1 1754331883 XMKUAGSEPRGIJU-QWRGUYRKSA-N 308.386 -0.526 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@H]1CNC(=O)c1c(C)ncn1C 1754486180 JZBBGCDURNQHQM-OLZOCXBDSA-N 317.393 -0.329 30 20 DBED COCCN(CC#N)C1CCN(C(=O)CN2CCOCC2)CC1 1754549359 CFTDGBYSMGNWRR-UHFFFAOYSA-N 324.425 -0.218 30 20 DBED C=CCOCC(=O)NCC1(NCc2nncn2C)CCOCC1 1754735207 ZKNMJHKSZQLKND-UHFFFAOYSA-N 323.397 -0.227 30 20 DBED C#CCNCCN(CCO)C(=O)[C@@H]1CCn2c(cnc2C)C1 1754891179 MHBLILLEHSZLGV-CQSZACIVSA-N 304.394 -0.202 30 20 DBED C=CCCCN1CC(CCO)(NC(=O)[C@H]2CN(C)C(=O)N2)C1 1755335242 AAHGCLUFSFOBRV-GFCCVEGCSA-N 310.398 -0.471 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(CNC(=O)c3ncn(C)n3)[C@H]2C1 1755420697 NNSUGXNQHCIEPO-VXGBXAGGSA-N 318.381 -0.975 30 20 DBED C#CCNC(=O)CNCCC[C@H](C)NC(=O)[C@H]1CCCC(=O)N1 1755501972 PEHPYURIDZANEL-QWHCGFSZSA-N 322.409 -0.721 30 20 DBED CN(C[C@@H](O)CNCC#N)C(=O)c1cccc(-n2ccnn2)c1 1755795705 IWHBRYCVTJQBAX-AWEZNQCLSA-N 314.349 -0.187 30 20 DBED CC#CCN(C)C[C@@H](O)CN(C)C(=O)CCN1CCOCC1 1755807959 YJXRCABHNDXFLA-OAHLLOKOSA-N 311.426 -0.517 30 20 DBED C#CCO[C@@H](C)C(=O)NC1CC(CNC(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1755934544 HDRSOIOEUZHROS-KJHPDVCTSA-N 320.389 -0.072 30 20 DBED C=CCCOCC(=O)N[C@H]1CCN(C(=O)c2nnn(C)n2)[C@H]1C 1756570383 NXHXWXBGTBTNIZ-QWRGUYRKSA-N 322.369 -0.478 30 20 DBED C=CCOCC(=O)N[C@@H]1C[C@H](C)N(C(=O)CS(C)(=O)=O)C1 1756579332 CLXKZJKLTAVXNB-WDEREUQCSA-N 318.395 -0.661 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)CCN1CCCC1)CCO2 1783055847 ZFUGMORCVDCEKQ-QGZVFWFLSA-N 319.405 -0.065 30 20 DBED C=C(CC(=O)OCC)C(=O)N1CCCC12CN(C(=O)CN)C2 1845188039 XFSXCWYMMQWUBT-UHFFFAOYSA-N 309.366 -0.342 30 20 DBED O=C(C#CC1CC1)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1ccnn1 1847747559 WCHIPUSFTKFFFF-KBPBESRZSA-N 313.361 -0.107 30 20 DBED N#Cc1ccccc1S(=O)(=O)NCC(=O)O[C@@H]1CCOC1=O 5366655 CCXNXSFCADSNPI-SNVBAGLBSA-N 324.314 -0.305 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)Nc2nc(C)ns2)C1=O 266384830 LBMOAGZJUJKSAY-UHFFFAOYSA-N 309.307 -0.238 30 20 DBED CN(C[C@H](O)CO)C(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 273941081 XDRDMKFRJPVTNJ-JTQLQIEISA-N 311.725 -0.038 30 20 DBED C=CCS(=O)(=O)CCNS(=O)(=O)c1cccnc1C#N 277128552 JBJDJHCVRYLOPW-UHFFFAOYSA-N 315.376 -0.168 30 20 DBED Cc1ccc(C/N=C(\N)NCCCN2CCOCC2)c(=O)n1C 278613466 WJRBYRZKTYVOHM-UHFFFAOYSA-N 321.425 -0.180 30 20 DBED N#CC1(C(=O)N2CCN(S(=O)(=O)c3cc[nH]n3)CC2)CCC1 288097625 JLOYYTQXSKZVEC-UHFFFAOYSA-N 323.378 -0.064 30 20 DBED COCC[C@@H](NS(=O)(=O)c1ccc(C#N)nc1)C(=O)OC 289891652 MVYBCMAMNGPJPV-LLVKDONJSA-N 313.335 -0.190 30 20 DBED CCOc1ccc(C#N)cc1NC(=O)NC(CO)(CO)CO 294274500 RLANOYGKLICXQO-UHFFFAOYSA-N 309.322 -0.206 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 294607808 ZSAJVHULTOTCKW-AWEZNQCLSA-N 323.393 -0.972 30 20 DBED N/C(=N\CC(=O)N1CCCCC1)NCCCN1CCOCC1 303907463 WVOPAOHWRYVALR-UHFFFAOYSA-N 311.430 -0.375 30 20 DBED Cc1nc2n(n1)C[C@H](/N=C(/O)N1CCN3C(O)=NC[C@@H]3C1)CC2 329812553 SDIHROVZSMPEPZ-GHMZBOCLSA-N 319.369 -0.271 30 20 DBED CN1C[C@@H](/N=C(/O)N2CCN(Cc3cnn(C)c3)CC2)CC1=O 330150583 VUXSTPHIJRQGIO-ZDUSSCGKSA-N 320.397 -0.318 30 20 DBED CN1C[C@H](/N=C(/O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1=O 330152027 WLOLVUDKZMNTDG-NEPJUHHUSA-N 324.381 -0.546 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCOC[C@H]1C(=O)OC 337064060 JBJPBJLGDDAXAY-QWRGUYRKSA-N 319.383 -0.413 30 20 DBED COC(=O)[C@H]1CN(S(=O)(=O)N(C)C[C@@H](C)C#N)CCO1 337105351 ZDQRFICSQKVWEK-VHSXEESVSA-N 305.356 -0.804 30 20 DBED C[C@H](O)CN1CCN(S(=O)(=O)N(C)[C@@H](C)CC#N)CC1 337844337 WNNQMWNWBMZKBZ-RYUDHWBXSA-N 304.416 -0.536 30 20 DBED N#CCCCNC(=O)N1CCN(C(=O)CN2CCOCC2)CC1 343995335 PXFODKNCUNNHOO-UHFFFAOYSA-N 323.397 -0.524 30 20 DBED N#CCNC(=O)CNC(=O)NCc1ncnn1-c1ccccc1 346067595 OKPZEGXATIBZEI-UHFFFAOYSA-N 313.321 -0.294 30 20 DBED N#Cc1cncc(S(=O)(=O)NCCNc2cnccn2)c1 352322232 JOGWKLVUFYZPGT-UHFFFAOYSA-N 304.335 0.134 30 20 DBED CCO[C@H]1COCC[C@H]1Nc1c(C#N)c(=O)n(C)c(=O)n1C 353274572 HXFCQTFMWGEQNB-MNOVXSKESA-N 308.338 -0.438 30 20 DBED C#CC[C@H](NC(=O)c1c(Br)nnn1C)C(=O)O 383904383 OACINMSZKQGILY-YFKPBYRVSA-N 301.100 -0.216 30 20 DBED CCc1ccc(NC(=O)C(=O)NCCC#N)cc1S(N)(=O)=O 427891802 FENUACSEWWDNDG-UHFFFAOYSA-N 324.362 -0.135 30 20 DBED N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCn1ncnn1 443497257 FGEAPAKTFATDTM-UHFFFAOYSA-N 323.294 -0.569 30 20 DBED C#CCN1CCN(C(=O)CN(C)[C@@H]2CCN(CC=C)C2=O)CC1 490831400 TXKYIXMNPQTZFH-OAHLLOKOSA-N 318.421 -0.518 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@@H](C)CC(=O)OC 515657944 LAEFAWYVFJAUHG-JTQLQIEISA-N 307.372 -0.366 30 20 DBED CC(C)(C#N)CCS(=O)(=O)NCCN1CCNC(=O)C1 576506570 VBRJPVIPWBTSAM-UHFFFAOYSA-N 302.400 -0.723 30 20 DBED COC[C@H](NC(=O)C(=O)NC1CCN(CC#N)CC1)C1CC1 588128707 GZWFSVYHAKSSGK-ZDUSSCGKSA-N 308.382 -0.368 30 20 DBED CC#CC[C@@H](CO)NS(=O)(=O)c1cncc(C(=O)OC)c1 592113391 RBWSWIHVBGNPMX-NSHDSACASA-N 312.347 -0.079 30 20 DBED CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)COc1ccccc1C#N 598024311 AINCJWHFXBXHCZ-DGCLKSJQSA-N 324.358 -0.135 30 20 DBED CC(=O)NC[C@H]1CCCCN1c1c(C#N)c(=O)n(C)c(=O)n1C 599201080 GRLGUIRETSGJOS-LLVKDONJSA-N 319.365 -0.549 30 20 DBED CC[C@H]1COCCN1C(=O)C(=O)N1CCN(CCC#N)CC1 601434148 DRDZFUYQHMYJOL-ZDUSSCGKSA-N 308.382 -0.318 30 20 DBED C=CCOCCNS(=O)(=O)CCCN1CCN(C)CC1 632194659 WYVMHDFEWMAIJT-UHFFFAOYSA-N 305.444 -0.254 30 20 DBED Cn1cc([C@@H]2NC(=S)NC(C(=O)O)=C2C(=O)C2CC2)nn1 738405819 PKZFHUOHCVGDEG-QMMMGPOBSA-N 307.335 -0.348 30 20 DBED C#CCNS(=O)(=O)N1CCN(CCCSCC#N)CC1 761037422 QBELPYXPGVGSJH-UHFFFAOYSA-N 316.452 -0.282 30 20 DBED CC(=NNC(=S)NCC(N)=O)c1cccc(-n2cnnc2)c1 814844522 KBQJHFPYAGNCGW-UHFFFAOYSA-N 317.378 -0.059 30 20 DBED Cn1cnn(CCC(=O)OCCNc2ncccc2C#N)c1=O 815936574 PDBXACUUFQZMJO-UHFFFAOYSA-N 316.321 -0.106 30 20 DBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC(=O)O 818059140 GTJHFVIMDKYODS-QMMMGPOBSA-N 311.319 -0.574 30 20 DBED C#CCCN1CCC(NC(=O)[C@H](C)NS(=O)(=O)CC)CC1 828477543 DJVUZSBRKLBFMK-LBPRGKRZSA-N 315.439 -0.082 30 20 DBED N#Cc1cccc(NC(=O)COC(=O)C2(S(N)(=O)=O)CC2)c1 845202520 QYVLSPMBJIJEJN-UHFFFAOYSA-N 323.330 -0.139 30 20 DBED C#Cc1ccc(C(=O)N2CCN(S(=O)(=O)NC)CC2)nc1 846089131 PDRHAAFMTZFCBS-UHFFFAOYSA-N 308.363 -0.715 30 20 DBED N#C[C@@H]1CNC[C@H]1NC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 846677046 JMYNVLFOUOQPMT-NQBHXWOUSA-N 302.334 -0.144 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N1CC[C@H](N2CCOC2=O)C1 849437415 GQWVZXKJJBSUIM-MNOVXSKESA-N 316.383 -0.008 30 20 DBED N#Cc1ccc(CS(=O)(=O)CC(=O)NC[C@@H]2COCO2)cc1 861965510 JXIGOLVHQBOZJR-CYBMUJFWSA-N 324.358 -0.038 30 20 DBED C#C[C@H](NC(=O)CN1CCCCS1(=O)=O)[C@@H]1CCCO1 879537694 HQQSIRRYYJYMJR-RYUDHWBXSA-N 300.380 -0.291 30 20 DBED C#CC[C@H](CO)NS(=O)(=O)c1[nH]cnc1Br 882340235 RJXVOVAMJQARTR-ZCFIWIBFSA-N 308.157 -0.165 30 20 DBED C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@@H]2CO)c1 889131074 WXRPVZRZVLMLAN-GFCCVEGCSA-N 308.359 -0.195 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CCO[C@H]2C(=C)C)CC1 906556825 QNJMHRKGGICUAV-HOCLYGCPSA-N 319.405 -0.139 30 20 DBED C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1NC(=O)c1nc[nH]n1 939062784 UIPRAAIQTMVTAK-LDYMZIIASA-N 313.321 -0.105 30 20 DBED CO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1NC(=O)c1cnn(C)c1C 941212131 PFZYYDUTWFLUSH-ZWKOPEQDSA-N 319.365 -0.156 30 20 DBED O=C1CC[C@@H](C(=O)NC[C@H]2CCCN2C(=O)C#CC2CC2)N1 944007849 PXFVYCLMHUIKJO-OLZOCXBDSA-N 303.362 -0.214 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cn(C)c(=O)nc2O)[C@@H](C)C1 944907551 NJNLGMJQKBWKAU-JQWIXIFHSA-N 304.350 -0.441 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H](NC(=O)CN2CCOCC2=O)C1 951870866 YIGSPMTWKSNLIE-NEPJUHHUSA-N 322.365 -0.888 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1cnn[nH]1 952179094 RMLWLZSCQTUCOJ-UMNHJUIQSA-N 305.338 -0.274 30 20 DBED CN(C(=O)[C@H]1CCNC1=O)C1CN(C(=O)c2cc(C#N)c[nH]2)C1 954962240 REVVEFIPEZBJHG-NSHDSACASA-N 315.333 -0.695 30 20 DBED N#CCN1C[C@H](O)[C@H](CNC(=O)c2cccc3nn[nH]c23)C1 958092011 LETGQVOOBGBWQC-SKDRFNHKSA-N 300.322 -0.496 30 20 DBED C=CCCN1C[C@H](O)[C@H](CNC(=O)c2ccoc2CC(N)=O)C1 958349180 FWKYLUIUADLIHP-YPMHNXCESA-N 321.377 -0.094 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](NC(=O)c2ccc(O)nn2)[C@H](C)C1 958369118 YQIMQCIAGQYUEM-IQJOONFLSA-N 303.322 -0.081 30 20 DBED N#CCN1C[C@H](O)[C@H](CNC(=O)c2cnc3cccnn23)C1 958468123 SBCBDKKIGABBDM-PWSUYJOCSA-N 300.322 -0.725 30 20 DBED COc1ccnc(O)c1C(=O)NC[C@H]1CN(CC#N)C[C@@H]1O 958593905 CUXFOAASVJLPEV-UWVGGRQHSA-N 306.322 -0.658 30 20 DBED CCCn1nc(C(=O)NC[C@@H]2CN(CC#N)C[C@@H]2O)ccc1=O 958662415 SLLPKYCQPHBBEV-YPMHNXCESA-N 319.365 -0.801 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](CNC(=O)c2cn(C)c(=O)n2C)C1 958736294 MGLHTIDAFXMFSD-YPMHNXCESA-N 308.382 -0.678 30 20 DBED C[C@H](NC(=O)c1c[nH]c(C#N)c1)[C@H]1CCN(C(=O)C(N)=O)C1 959254729 DPPRGMVTJTUASJ-IUCAKERBSA-N 303.322 -0.662 30 20 DBED Cc1c[nH]nc1C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H](C)C#N 960880100 IOWOKNKMCGGBEG-ADEWGFFLSA-N 317.349 -0.070 30 20 DBED Cn1nnnc1CNCC1CC(NC(=O)c2cc(C#N)c[nH]2)C1 961679257 NNYZEZXFNGXNMG-UHFFFAOYSA-N 314.353 -0.292 30 20 DBED C=C(C)CN1C[C@H]2[C@H](NC(=O)c3cn(C)c(=O)nc3O)[C@H]2C1 962534938 RBPXNFUXWIPDIY-IAZYJMLFSA-N 304.350 -0.278 30 20 DBED C=CCN1CC[C@@H](C)[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 966169451 UWKPPXNFHSQNDZ-MNOVXSKESA-N 306.370 -0.610 30 20 DBED C[C@@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)[C@@H]1CNC(=O)N1)C2 969805064 IZPMCGQCIZAXPN-NAKRPEOUSA-N 305.338 -0.971 30 20 DBED C[C@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)[C@@H]1CCC(=O)N1C)C2 969812095 UPUPHUGBMYZJMG-VOAKCMCISA-N 318.377 -0.031 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)c3cc(=O)n(C)cn3)C2)C1 972417496 YEJOONCEQOJGRZ-INIZCTEOSA-N 316.361 -0.670 30 20 DBED C=C(C)CN(C)[C@@H]1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)C1 972472886 QWRFPDHPFSFMNO-GFCCVEGCSA-N 320.393 -0.194 30 20 DBED C=C(C)CN1C[C@H]2C(CNC(=O)c3cnc(O)n(C)c3=O)[C@@H]2C1 978602270 VVMROFFFPSMJQH-STQMWFEESA-N 318.377 -0.030 30 20 DBED C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC(=O)N2)CCN1C(=O)C#CC1CC1 989167468 OSUSTCYUUFKGNT-WXHSDQCUSA-N 303.362 -0.216 30 20 DBED C#Cc1ccc(C(=O)N2CC(NC(=O)Cn3nccn3)C2)nc1 991944023 DQHWDDJULNWTJB-UHFFFAOYSA-N 310.317 -0.705 30 20 DBED C#CCN1CCC[C@@H](NC(=O)CN2CCCS2(=O)=O)[C@H]1C 993424748 ZBENYVUWQADYPF-CHWSQXEVSA-N 313.423 -0.376 30 20 DBED C[C@@H](C#N)C(=O)N1CC(CNC(=O)c2cc(C(N)=O)c[nH]2)C1 1003873933 UACHNNHVBNLMLI-QMMMGPOBSA-N 303.322 -0.539 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2CN(C(=O)C(N)=O)CC2(C)C)nc1 1008385531 BWXXPXPZCNEVPP-LBPRGKRZSA-N 314.345 -0.485 30 20 DBED CC1(C)NC(=O)N(CC(=O)N[C@@H]2CCCN(CC#N)C2)C1=O 1009419192 QTGPDXAZUDGWOH-SNVBAGLBSA-N 307.354 -0.579 30 20 DBED C#CCN1CCC(C(=O)N[C@H]2CCCN([C@H](C)C(N)=O)C2)CC1 1009625599 FRIDTNMUACQTEY-HIFRSBDPSA-N 320.437 -0.214 30 20 DBED C=C1CC(C)(C(=O)N2C[C@@H]3C(NC(=O)Cn4ncnn4)[C@H]3C2)C1 1013149279 MOTFDZVPRQVFJN-QWRGUYRKSA-N 316.365 -0.398 30 20 DBED Cc1nonc1C(=O)NC1[C@H]2CN(C(=O)C#CC3CC3)C[C@H]12 1013340280 RHEDHZCNHYNXMS-QWRGUYRKSA-N 300.318 -0.022 30 20 DBED N#CCN[C@H]1C[C@@H](NC(=O)CN2CCCCS2(=O)=O)C1 1022437061 VPHAZOPQAROKSN-PHIMTYICSA-N 300.384 -0.828 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](CNCc2nnnn2C)C1 1027074788 GHFNADCKJJAIQM-XQQFMLRXSA-N 320.397 -0.261 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)[C@@]3(F)CCOC3)C2)C1=O 1030839172 CAMJZYIFFQDSNJ-SWLSCSKDSA-N 311.357 -0.298 30 20 DBED C#CCCN1CCO[C@@H](CNC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 1035514194 KJRYLNMARUJXBH-RDBSUJKOSA-N 307.394 -0.272 30 20 DBED C#CCN[C@H]1CCN(C(=O)Cn2ccc(O)nc2=O)C[C@@H]1C 1036097793 DDFPJYSHLDWCNN-RYUDHWBXSA-N 304.350 -0.591 30 20 DBED C=CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)Cn1[nH]cc2c(=O)ncnc1-2 1037626466 HBKRLERXHDBEAI-SUZMYJTESA-N 314.349 -0.554 30 20 DBED C#CCCN1C[C@H]2C[C@H]1[C@H]2NC(=O)Cc1nc2ncccn2n1 1037727017 HOVFGWHOTAGANE-XUJVJEKNSA-N 310.361 -0.121 30 20 DBED CC[C@H]1CN(C(=O)c2nccnc2C(N)=O)CC[C@H]1NCC#N 1037986062 NZHUNSJFQJNJMG-WDEREUQCSA-N 316.365 -0.071 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCN1Cc1cnon1 1038367757 NENUPVXMRVYTSN-KBPBESRZSA-N 303.366 -0.142 30 20 DBED CC(C)N(C)CC(=O)NC[C@]1(O)CCN(C(=O)[C@H](C)C#N)C1 1040098684 CUEQUUKSGMHJGS-IUODEOHRSA-N 310.398 -0.434 30 20 DBED N#Cc1cncc(N2C[C@@H](O)[C@H](NC(=O)c3cccnc3)C2)n1 1040910890 PDFKQQPYKTZVED-CHWSQXEVSA-N 310.317 -0.277 30 20 DBED Cc1nonc1C(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@H]1O 1041079050 RZSXPWHTUZVMNQ-GHMZBOCLSA-N 314.305 -0.376 30 20 DBED Cn1cncc1C(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1O 1041228006 KTWKYZGLPIQFBP-ZYHUDNBSSA-N 313.321 -0.939 30 20 DBED C=CCCOCC(=O)N1CC(O)(CNC(=O)COCC)C1 1041318051 RHWPBKGINFKGKP-UHFFFAOYSA-N 300.355 -0.695 30 20 DBED C=CCn1cc(C(=O)N2CC[C@]3(CCN(CC(N)=O)C3)C2)nn1 1041728012 CJKIIUMNQMZOAC-HNNXBMFYSA-N 318.381 -0.513 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)c2[nH]ccc2C)C1 1042845559 KZCUNUJECSOFQX-UHFFFAOYSA-N 307.350 -0.171 30 20 DBED COc1cc(C(=O)N2CC(O)(CNC(=O)C#CC(C)C)C2)on1 1042936534 LHVDIUFVSCCCAE-UHFFFAOYSA-N 321.333 -0.354 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)CCc2cccnc2)C1 1043752706 OAOIVDVDJSXQHB-GFCCVEGCSA-N 316.361 -0.137 30 20 DBED C=C(C)C[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2cnn[nH]2)C1 1045064119 LHFLYZQSVXEVJA-SNVBAGLBSA-N 307.354 -0.290 30 20 DBED CC1(NC(=O)c2cc(=O)n3[nH]cnc3n2)CCN(CC#N)CC1 1045620519 TVOYNZNFIARADY-UHFFFAOYSA-N 315.337 -0.475 30 20 DBED C=CCCN1CC[C@H](N2CCN(C(=O)Cn3cnnn3)CC2)C1 1046002412 VUQLTMTUPHZJND-AWEZNQCLSA-N 319.413 -0.532 30 20 DBED C#CCCN1C[C@H]2C[C@H](NC(=O)CN3CCOCC3=O)C[C@H]1C2 1047089225 ORCIEWWWFALXMA-SOUVJXGZSA-N 319.405 -0.162 30 20 DBED C#CCN1C[C@H]2C[C@@H](NC(=O)CN3C(=O)CCC3=O)C[C@H]1C2 1047195149 FKBBDUFGAIKZBA-YNEHKIRRSA-N 303.362 -0.262 30 20 DBED NC(=O)NCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C#CC1CC1)C2 1047303989 RRDDRIFAPKLPIX-AVGNSLFASA-N 318.377 -0.436 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C(N)=O)cc2)C1 1047623411 JZUVKNDSSQHYOA-GJZGRUSLSA-N 315.373 -0.074 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)COCC)C1 1048147589 QFYCSXAZKROQOO-AGIUHOORSA-N 312.366 -0.909 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)OC)C1 1048415814 UGICQSHSCMWBAK-SRVKXCTJSA-N 300.355 -0.746 30 20 DBED C#CCO[C@H](C)C(=O)N(C)[C@H]1CN(C(=O)C(C)(C)F)C[C@@H]1O 1048844721 QVJNNTHXZVRPMI-WOPDTQHZSA-N 314.357 -0.197 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)OCC#C)C1 1048852663 RDTHBWJEZYXYJR-KKUMJFAQSA-N 320.389 -0.142 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)[C@H]1CCc2n[nH]cc2C1 1051203738 JSWAZFDSICTREI-GXTWGEPZSA-N 302.378 -0.035 30 20 DBED C#CCCN1CCOC[C@H]1CNC(=O)[C@@H]1CCN(C(C)=O)C1 1051227602 ONYLJSIQCJAEPE-HUUCEWRRSA-N 307.394 -0.305 30 20 DBED CC(C)C#CC(=O)N1C[C@H](CNC(=O)CNC(N)=O)[C@@H](C)C1 1052527930 AQMNGOQMBOLHNA-RYUDHWBXSA-N 308.382 -0.475 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)Cc3ccn(C)n3)CO2)C1 1053799588 ZACYERBTZLKAPL-CQSZACIVSA-N 302.378 -0.055 30 20 DBED C=C(Cl)CN1CC2(C[C@H](NC(=O)[C@@H]3CNC(=O)N3)CO2)C1 1053909064 BFTHHFOKUPPKIQ-UWVGGRQHSA-N 314.773 -0.620 30 20 DBED C[C@@H](C#N)C(=O)NCCN1CCC(NC(=O)[C@@H]2CCOC2)CC1 1055630314 YZWHSLNVMYJXIS-QWHCGFSZSA-N 322.409 -0.121 30 20 DBED N#Cc1cncc(N2CCN(C(=O)C[C@H]3CCC(=O)N3)CC2)n1 1055848761 DHAFUXNVSHSUKK-LLVKDONJSA-N 314.349 -0.334 30 20 DBED COCC(=O)N1CCC[C@](CO)(NC(=O)c2ccc(C#N)[nH]2)C1 1055888784 BSPRUGUAEUKCLW-HNNXBMFYSA-N 320.349 -0.384 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)CC(N)=O 1056378259 ADJHOGNDCAGRNA-WQGACYEGSA-N 323.393 -0.219 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)CNC(=O)C1CC1 1057077752 GGMMBYZYFAPRGB-UHFFFAOYSA-N 323.393 -0.891 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)c1cncnc1 1057193893 SUGXHCJQYPXCPX-UHFFFAOYSA-N 308.338 -0.770 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)c1cnn(CC)c1 1057232077 XIEXHOKTMRRMOH-UHFFFAOYSA-N 324.381 -0.344 30 20 DBED C#CCCCCC(=O)N(CCO)CCNC(=O)c1[nH]nnc1C 1057391015 YWRSCOVIIFUSAZ-UHFFFAOYSA-N 321.381 -0.143 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)[C@@H]1CCN(C)[C@@H]1C 1057525246 MIPISVSGPHRMQB-HUUCEWRRSA-N 323.437 -0.077 30 20 DBED N#Cc1ccc(N2CC[C@@H](NC(=O)c3ccc(O)nn3)C2)nn1 1058288750 LMJNTRZPJQUMBE-SNVBAGLBSA-N 311.305 -0.147 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)Cc1cnoc1 1058482294 ZBRARKCJYUWKSU-UHFFFAOYSA-N 311.338 -0.643 30 20 DBED Cc1nccc(C(=O)NCCN(CCO)C(=O)[C@H](C)C#N)n1 1058658635 HTZOZBVVNAHBDQ-SNVBAGLBSA-N 305.338 -0.505 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)c1ccc(O)nc1 1058809657 NSVBZJSZFTXVIE-UHFFFAOYSA-N 319.361 -0.003 30 20 DBED Cc1ccc(C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N)c(O)n1 1058945985 KRSTXXXVXYISTC-JTQLQIEISA-N 320.349 -0.194 30 20 DBED CN1C[C@@H](C(=O)N2CC[C@H](Nc3ccc(C#N)nn3)C2)CC1=O 1059097587 IJOUQTAOZOHPIA-JQWIXIFHSA-N 314.349 -0.161 30 20 DBED C[C@H](C#N)C(=O)NCC[C@@H]1CCN(C(=O)CS(C)(=O)=O)C1 1059272053 OHKSBUGNRRGUFZ-GHMZBOCLSA-N 315.395 -0.455 30 20 DBED Cn1cc(C(=O)N2CC[C@@H](CN=c3cc[nH]c(C#N)n3)C2)nn1 1060870010 DOBKVLANJGVBHP-JTQLQIEISA-N 312.337 -0.527 30 20 DBED N#Cc1nccnc1N1CCC[C@@H]1CNC(=O)[C@H]1COCCO1 1061299905 XGOYRDFAINUEET-DGCLKSJQSA-N 317.349 -0.151 30 20 DBED CC(C)C#CC(=O)NC[C@H]1COCCN1C(=O)[C@@H](C)CC(N)=O 1061568978 VRCZTTBUNBSNIU-STQMWFEESA-N 323.393 -0.499 30 20 DBED Cc1nccc(C(=O)N2CCOC[C@H]2CNC(=O)[C@@H](C)C#N)n1 1061853154 QEVGNRGIYAQFIV-CMPLNLGQSA-N 317.349 -0.098 30 20 DBED C=CCOCC(=O)NC[C@H]1CCCCN1C(=O)[C@H]1C[C@H]1C(N)=O 1062351947 XROQERRRXSNJOU-UPJWGTAASA-N 323.393 -0.192 30 20 DBED CN(C(=O)[C@H]1COCCO1)[C@@H]1CCN(c2cncc(C#N)n2)C1 1062890075 KJRLOHQDHDSBLA-CHWSQXEVSA-N 317.349 -0.199 30 20 DBED Cc1nn(C)cc1C(=O)N1CCO[C@H](CNC(=O)[C@@H](C)C#N)C1 1064986793 UIUOXWFRZLMVCT-CMPLNLGQSA-N 319.365 -0.155 30 20 DBED Cn1ncc(C(=O)N[C@]2(C)CCN(c3nccnc3C#N)C2)n1 1065264160 WTACPDXWTKQUPK-CQSZACIVSA-N 312.337 -0.124 30 20 DBED C#Cc1ccc(C(=O)N2CCO[C@H](CNC(=O)C(N)=O)C2)cc1 1065416787 XWNNJCPUUCDHMD-CYBMUJFWSA-N 315.329 -0.890 30 20 DBED C=CCOCC(=O)N(C)CCCN(C)C(=O)CNC(=O)OC 1066939069 GDHUZNUYUNRVEY-UHFFFAOYSA-N 315.370 -0.148 30 20 DBED C#CCCCC(=O)N1CC2(C[C@H](NC(=O)CNC(C)=O)CO2)C1 1068665930 GZXLTYCUYUSSLD-ZDUSSCGKSA-N 321.377 -0.588 30 20 DBED CNC(=O)CC(=O)NCC1(NC(=O)[C@@H](C)C#N)CCOCC1 1070231026 LJLRFFKPMZVLTR-JTQLQIEISA-N 310.354 -0.936 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CCCN(C(=O)c2nccnc2N)C1 1070570899 KATDMRIPQYQAJE-NXEZZACHSA-N 302.338 -0.061 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCC[C@@H](NC(=O)C2(C(N)=O)CC2)C1 1070904630 YNIQHDWKHIJREU-NWDGAFQWSA-N 323.393 -0.050 30 20 DBED C[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@@]2(CCN(CC#N)C2)O1 1071164007 FWPBXUCAQBGYHO-RISCZKNCSA-N 304.354 -0.356 30 20 DBED CC(=O)NCC(=O)N1C[C@H](C)[C@H](NC(=O)CSCC#N)C1 1071496211 QGOALSXKGJHBFN-GXSJLCMTSA-N 312.395 -0.658 30 20 DBED C[C@H](C#N)C(=O)NC1(C)CCN(C(=O)Cn2cnnc2O)CC1 1072964569 BEPLRCZGEGPPSN-SNVBAGLBSA-N 320.353 -0.359 30 20 DBED N#CCN1CCO[C@@H]2CCN(C(=O)c3cc(C(N)=O)co3)C[C@H]21 1074338971 PJPYEOMGJOCQAI-VXGBXAGGSA-N 318.333 -0.183 30 20 DBED CCCS(=O)(=O)CC(=O)NCC[C@H](C)NC(=O)[C@@H](C)C#N 1076625399 IULJWMBNWWKXOF-QWRGUYRKSA-N 317.411 -0.018 30 20 DBED NC(=O)C(=O)N[C@@H]1CN(CC#Cc2cccc(Cl)c2)C[C@H]1O 1077605731 CTDFHQLFLYKWBO-CHWSQXEVSA-N 321.764 -0.662 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2CN([C@@H](CC)C(N)=O)C[C@H]2O)c1 1077649821 GZWRXJXSOHEQID-HZSPNIEDSA-N 316.361 -0.898 30 20 DBED C[C@@H](CCNC(=O)[C@@H]1CCNC1=O)NC(=O)c1c[nH]c(C#N)c1 1077731648 YZCBWANTMXNESH-CABZTGNLSA-N 317.349 -0.353 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)c2cn3nc(C)cc3[nH]c2=O)C1 1077838336 WDBLUEBDVQEYOJ-VXGBXAGGSA-N 317.349 -0.708 30 20 DBED C#CCN[C@@H]1C[C@H](NC(=O)Cn2nc(C)n(C)c2=O)C12CCC2 1078797188 HLEYPTKJPVCBIQ-OLZOCXBDSA-N 317.393 -0.460 30 20 DBED CCN(C(=O)Cc1nc[nH]n1)C1CN(C(=O)C#CC2CC2)C1 1080591379 JFJXEEKTEAYHRO-UHFFFAOYSA-N 301.350 -0.180 30 20 DBED C#CCCCC(=O)N1CCC(CO)(NC(=O)CC(=O)NC)CC1 1080827559 JBXLPWDXKOSXCJ-UHFFFAOYSA-N 323.393 -0.604 30 20 DBED CCN(CC1CCN(C(=O)[C@H](C)C#N)CC1)C(=O)CNC(N)=O 1081118233 WFUOBZSOHWOTIE-LLVKDONJSA-N 323.397 -0.099 30 20 DBED C#CCCCC(=O)N1C[C@H](CNC(=O)c2cnn(C)c2)[C@@H](O)C1 1081247487 DPPLNPSPMPLDRO-JSGCOSHPSA-N 318.377 -0.227 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2cccn2C)C[C@@H]1O 1081344090 LYGXRDIELPVZCM-OCCSQVGLSA-N 321.377 -0.223 30 20 DBED Cc1c[nH]c(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C#CC(C)C)C2)n1 1081464204 WYQBBVCZJOVVDZ-QWHCGFSZSA-N 318.377 -0.073 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(C(=O)CC2CC2)C[C@H]1O 1081485043 FBSVMRSQNZJDIA-ZIAGYGMSSA-N 308.378 -0.238 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2cncn2C)C1 1081582095 CUJKVKXMKUTSOG-DGCLKSJQSA-N 322.365 -0.828 30 20 DBED C#CCN1C[C@@H](NC(=O)c2cc3n(n2)CCCO3)[C@H](OC)C1 1081931638 SBAWSFBTUFRRRC-CHWSQXEVSA-N 304.350 -0.272 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1c(C)nn2cccnc12 1082376050 ZGEDXJJGSXUHND-VXGBXAGGSA-N 314.349 -0.010 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)[C@H]2CCNC(=O)C2)C1 1083396720 BVMSWTCIEZKLND-AXFHLTTASA-N 301.774 -0.574 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCN(C(C)=O)C2)C1 1084003840 OTKLLXHRRKPZQT-KFWWJZLASA-N 309.410 -0.018 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2coc(C(N)=O)c2)[C@@H](O)C1 1090449168 NUFBLGGFULLIAG-NEPJUHHUSA-N 305.334 -0.433 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2ccc(C(N)=O)[nH]2)[C@@H](O)C1 1090571224 BAMAGZZNQSWPOJ-GWCFXTLKSA-N 304.350 -0.698 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2ccc3nncn3c2)[C@@H](O)C1 1090646966 MUONCHQQSRHHJA-KBPBESRZSA-N 313.361 -0.082 30 20 DBED CNC(=O)CC(=O)N1C[C@@H](Nc2cnc(C#N)cn2)[C@H](C)C1 1090967561 DHOPWPREGRHDIC-MWLCHTKSSA-N 302.338 -0.257 30 20 DBED N#CCNC1CC(CNC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 1091026022 DGPSOOVSIBDNEW-CXQJBGSLSA-N 316.365 -0.229 30 20 DBED CC(C)OCC(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1091078411 PHAGLHRLOUHNCT-NEPJUHHUSA-N 305.338 -0.561 30 20 DBED CSCC(=O)N[C@H]1CCN(c2ccc(C#N)nn2)C[C@H]1O 1092149563 ZCJLWQMVGOJPTR-WDEREUQCSA-N 307.379 -0.233 30 20 DBED CS(=O)(=O)CCCC(=O)NCCNc1ccc(C#N)nn1 1093723052 GVRGYCJFAUYFIL-UHFFFAOYSA-N 311.367 -0.299 30 20 DBED CCOc1cnc(C(=O)NCCN=c2cc[nH]c(C#N)n2)cn1 1093724757 NGIXSBMWSCPVFS-UHFFFAOYSA-N 313.321 -0.199 30 20 DBED C#Cc1ccc(C(=O)NCCNc2ccc3nnnn3n2)cn1 1093766370 HHNMHRRGLGLSSX-UHFFFAOYSA-N 308.305 -0.263 30 20 DBED Cc1cc(C#N)nc(NCCNC(=O)c2ccc3nnnn3c2)n1 1093986518 SZCNLUKWGFXQID-UHFFFAOYSA-N 323.320 -0.064 30 20 DBED C=CCN1CC(n2cc(CNC(=O)c3nonc3C)nn2)C1 1094342783 QMMOIBJVHCGECW-UHFFFAOYSA-N 303.326 -0.058 30 20 DBED COc1ncc(C(=O)NCCCN=c2cc[nH]c(C#N)n2)cn1 1094557724 RAGDVXUIUUSPLS-UHFFFAOYSA-N 313.321 -0.199 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)c3cncs3)CC2=O)C1 1094711685 LKCPOGNIQVLNNS-SNVBAGLBSA-N 304.375 -0.209 30 20 DBED Cc1cc(C(=O)N[C@@H]2CC(=O)N(C3CN(CC#N)C3)C2)ns1 1094731898 SZVYPRRNQWVEGN-SNVBAGLBSA-N 319.390 -0.010 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)c3c(C)ncn3C)CC2=O)C1 1094747324 OVFHXZRZHXWUID-GFCCVEGCSA-N 315.377 -0.623 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)[C@H]3CCN(C)C3=O)CC2=O)C1 1094771309 JACUDXDCYAPVKT-WCQYABFASA-N 320.393 -0.948 30 20 DBED C=CCCN1CC(N2C[C@H](NC(=O)[C@@H]3[C@H]4COC[C@H]43)CC2=O)C1 1094772282 QAPJEOCFXFYVMC-UYHMYPTGSA-N 319.405 -0.144 30 20 DBED CN(C)CCOCC(=O)NCCCN(C)c1cncc(C#N)n1 1095594887 VORMCPRMDTYNOP-UHFFFAOYSA-N 320.397 -0.131 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H](CNC(=O)CNC(N)=O)C1CC1 1096565634 NAXFCHQKELWKBH-LBPRGKRZSA-N 302.338 -0.650 30 20 DBED C[C@H](CC(=O)N1CC[C@H](Nc2cncc(C#N)n2)C1)NC(N)=O 1096961409 WMOVPRXRHGNBMG-ZJUUUORDSA-N 317.353 -0.192 30 20 DBED C[C@@H](CNC(=O)COCCN(C)C)N=c1cc[nH]cc1C#N 1097953470 CSBXNYCTPVWPJF-LBPRGKRZSA-N 305.382 -0.130 30 20 DBED CCN1C[C@H](C(=O)NC[C@@H](C)N=c2cc[nH]c(C#N)n2)CC1=O 1098346561 RLKGQALHPBLVCM-GHMZBOCLSA-N 316.365 -0.445 30 20 DBED CC#CCN(CCO)C1CCN(C(=O)[C@H](C)NC(N)=O)CC1 1098350954 AIQAERYTGBKBMN-LBPRGKRZSA-N 310.398 -0.648 30 20 DBED N#Cc1nccnc1NC[C@@H]1CCN(C(=O)CCNC(N)=O)C1 1098529923 UDGOYYGDUUTCPX-JTQLQIEISA-N 317.353 -0.333 30 20 DBED C=CCNC(=O)[C@@H](C)NCc1cn([C@H]2CCN(C(C)=O)C2)nn1 1098591469 HRLRJTDRZATZEF-RISCZKNCSA-N 320.397 -0.148 30 20 DBED C[C@@H](CCNC(=O)[C@H]1CN(C)CCO1)Nc1nccnc1C#N 1098998579 NAQBQLXHNSLPHW-WCQYABFASA-N 318.381 -0.014 30 20 DBED C[C@H](CCNC(=O)c1nnn(C)n1)Nc1cnc(C#N)cn1 1099618947 GQXZBVOSNQVCPW-MRVPVSSYSA-N 301.314 -0.508 30 20 DBED C[C@H](CCNC(=O)c1nnn(C)n1)Nc1nccnc1C#N 1099619341 UXUWROSFFOZBEX-MRVPVSSYSA-N 301.314 -0.508 30 20 DBED COCC#CCN1CC[C@H](NC(=O)CSCC#N)[C@H](O)C1 1099693389 QZZHABCMAKAVDW-QWHCGFSZSA-N 311.407 -0.556 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)Cc2ccoc2)[C@H](O)C1 1099785896 JTODSSQSASCCBG-UONOGXRCSA-N 319.361 -0.877 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)C#CC(C)(C)C)[C@H](O)C1 1099827403 WUHKHXQEVJZIKR-ZIAGYGMSSA-N 321.421 -0.111 30 20 DBED C=C(C)CCC(=O)N[C@H]1CCN(Cc2nc(O)n[nH]2)C[C@@H]1O 1099857932 FIRRNLAFSKENFQ-QWRGUYRKSA-N 309.370 -0.082 30 20 DBED CC#CCN1CC[C@@H](NC(=O)C(C)(C)NC(=O)NCC)[C@@H](O)C1 1100023986 CBAWMYDNKXQVHX-OLZOCXBDSA-N 324.425 -0.341 30 20 DBED CCN(CCNC(=O)[C@@H]1CCC(=O)N1)c1cncc(C#N)n1 1100573298 QHRHSWQTFDEAEG-NSHDSACASA-N 302.338 -0.431 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CC(CNC(=O)c2cccnn2)C1 1100777579 WNCLWQRQOLAPAO-PNESKVBLSA-N 315.377 -0.288 30 20 DBED CCNC(=O)CC(=O)NC[C@H]1CCCN1c1cnc(C#N)cn1 1100831908 LXNICLYHMIIESA-GFCCVEGCSA-N 316.365 -0.041 30 20 DBED CNC(=O)NCC(=O)NCCN(c1nccnc1C#N)C1CC1 1101461358 XQNSVEKQBVJMKQ-UHFFFAOYSA-N 317.353 -0.638 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)c1cnc(O)n1C 1101903136 RFTMBBBMPJLXDK-UHFFFAOYSA-N 301.310 -0.607 30 20 DBED COCC[C@H](C)C(=O)NC[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1102587503 REBVYSKVNSXXCT-BFHYXJOUSA-N 324.425 -0.017 30 20 DBED CCN(C(=O)CNC(N)=O)[C@@H]1CCN(c2ccnc(C#N)n2)C1 1102779910 OBLXXCYECXVDEU-SNVBAGLBSA-N 317.353 -0.556 30 20 DBED Cc1cc(=NC[C@H](C)CNC(=O)[C@H]2CNC(=O)N2)c(C#N)c[nH]1 1104183097 BFWFIPVOGGQSOU-TVQRCGJNSA-N 316.365 -0.471 30 20 DBED CC(=O)N(C)CC(=O)N(C)[C@H](C)CN=c1cc[nH]c(C#N)n1 1104463940 JSLIKNFGSLZDKO-SNVBAGLBSA-N 304.354 -0.493 30 20 DBED C=CCO[C@H](C)C(=O)N1CC(n2cc(CNCCOC)nn2)C1 1105381019 LTGDYGYFKBJQQC-GFCCVEGCSA-N 323.397 -0.012 30 20 DBED CN1CC[C@@H](C(=O)N(C)CCN(C)c2cncc(C#N)n2)C1=O 1105524771 IDCOWYGGJLDSND-GFCCVEGCSA-N 316.365 -0.279 30 20 DBED C=CCOCC(=O)NC[C@H](O)CNc1cc(C)nc(OC)n1 1105748694 YHKGZRSMMMQFHT-LLVKDONJSA-N 310.354 -0.115 30 20 DBED C[C@H](C(=O)NC[C@H](O)CNc1cncc(C#N)n1)n1cccn1 1105767094 JLACGEBRBRKTAL-ZYHUDNBSSA-N 315.337 -0.305 30 20 DBED Cc1ncoc1C(=O)NC[C@@H](O)CNc1nccnc1C#N 1105807651 DQYBNMWUVWTHIE-VIFPVBQESA-N 302.294 -0.153 30 20 DBED Cc1cc(=NC[C@H](O)CNC(=O)CN(C)C(C)C)c(C#N)c[nH]1 1105869246 ODULZPRSOZTANA-AWEZNQCLSA-N 319.409 -0.087 30 20 DBED CNC(=O)C1(C(=O)NC[C@@H](O)CNc2ccc(C#N)cn2)CC1 1105895239 GAAVKLFMSGDWDV-NSHDSACASA-N 317.349 -0.632 30 20 DBED CCc1nocc1C(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1 1106084114 ZRHKGYMZZAREBE-SECBINFHSA-N 316.321 -0.477 30 20 DBED CO[C@@H](C(=O)NC[C@H](O)CNc1nccnc1C#N)C(C)C 1106092951 QTACBCXFUHKSAC-ZYHUDNBSSA-N 307.354 -0.092 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)[C@@]2(C)CNC(=O)C2)C[C@H]1C 1106465587 PGJJZKSKQQIRJC-CKEIUWERSA-N 321.421 -0.154 30 20 DBED C[C@@H](CCNc1cnc(C#N)cn1)NC(=O)[C@@H]1CN(C)C(=O)N1 1106518502 CKBDJRULTMMXDQ-ONGXEEELSA-N 317.353 -0.321 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)c2ncccn2)C[C@H]1C 1106788538 ANRUVUJPVDTNQF-CHWSQXEVSA-N 315.377 -0.476 30 20 DBED N#Cc1ccc(NC/C=C\CNC(=O)[C@H]2COC(=O)N2)nn1 1107176440 YLBUYCBPYUTVPD-JWXWKVPASA-N 302.294 -0.459 30 20 DBED CC(=O)N1CC[C@H](C(=O)NC[C@@]2(C)CN(CC#N)CCO2)C1 1108369110 JZGPONIYMKQVMX-ZFWWWQNUSA-N 308.382 -0.415 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)COCC3CC3)CC2=O)C1 1108514078 XZTWGPUTFWIYNO-ZDUSSCGKSA-N 305.378 -0.553 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H](C)CNc1ncnc2c1nnn2C 1108530577 ODRQOQNYUSKKOB-VHSXEESVSA-N 317.353 -0.287 30 20 DBED CC(=O)N(C)CC(=O)N[C@H](C)CN(C)c1nccnc1C#N 1108827238 JBNMZNIIKHQQJG-SNVBAGLBSA-N 304.354 -0.233 30 20 DBED C[C@H](CN(C)c1ncccc1C#N)NC(=O)C1CS(=O)(=O)C1 1109117387 XUAOPPUBMUILFU-SNVBAGLBSA-N 322.390 -0.061 30 20 DBED COC(=O)NCC(=O)N[C@@H](CN=c1cc[nH]c(C#N)n1)C1CC1 1109773616 BPMBZNHWGLYTDD-JTQLQIEISA-N 318.337 -0.567 30 20 DBED CC(=O)N(C)CC(=O)NCC1(Nc2cncc(C#N)n2)CC1 1110065154 AGDUCWAYCZJANW-UHFFFAOYSA-N 302.338 -0.113 30 20 DBED CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1110318492 QKWKCLQNFDNBLL-LPWJVIDDSA-N 308.382 -0.227 30 20 DBED CCNC(=O)CC(=O)N[C@@]1(C)CCN(c2cnc(C#N)cn2)C1 1110744068 SXQHTUVUDRUPJT-HNNXBMFYSA-N 316.365 -0.041 30 20 DBED COCCC(=O)NC1(CO)CCN(c2cnc(C#N)cn2)CC1 1112645666 QFVWVXHZBNQOFV-UHFFFAOYSA-N 319.365 -0.168 30 20 DBED C#CCNC(=O)CC(=O)N1CCN([C@@H](C)c2ncccn2)CC1 1112777595 DTZFLIQFVUWDNF-ZDUSSCGKSA-N 315.377 -0.179 30 20 DBED C#CCOCCC(=O)N1CCN(Cc2nnnn2C(C)C)CC1 1112843002 JJNPLFWNBGIYOU-UHFFFAOYSA-N 320.397 -0.062 30 20 DBED C[C@H](CNC(=O)c1cnnn1C)N(C)c1nccnc1C#N 1113588486 DFXZETWNDABGSA-SECBINFHSA-N 300.326 -0.269 30 20 DBED C#CCN1C[C@H]2[C@H](NC(=O)CCC(=O)NCCCOC)[C@H]2C1 1115103113 DSQPOBWUJJIJGE-VIKVFOODSA-N 307.394 -0.401 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)CN3CCCC3)[C@@H]2C1 1115242914 GGBOQJIHRGBLHS-BFHYXJOUSA-N 320.437 -0.181 30 20 DBED CNC(=O)CC(=O)NCCOCCCNc1ccc(C#N)nn1 1115409611 MPXYYHYKPNWNIF-UHFFFAOYSA-N 320.353 -0.581 30 20 DBED C#CCNC1(CNC(=O)CCS(=O)(=O)NC)CCCCC1 1115535392 UCUZNYMWCMQZQG-UHFFFAOYSA-N 315.439 -0.032 30 20 DBED C=CC1CCN(C(=O)C(=O)NCCCS(C)(=O)=O)CC1 1117075734 HWBKEBGUPHNLKJ-UHFFFAOYSA-N 302.396 -0.038 30 20 DBED C#CC[C@H](NS(=O)(=O)c1cnc2c(cnn2C)c1)C(=O)OC 1117960810 DEKBRHPEFHLAIV-NSHDSACASA-N 322.346 -0.189 30 20 DBED C=CCOCCNC(=O)C(=O)N1CC[S@](=O)[C@H](C)[C@@H]1C 1118442630 AEAPRFSRWHEXJX-JHTDMNASSA-N 302.396 -0.327 30 20 DBED C[C@H](CN(C)C(=O)Cn1ncnn1)Nc1ccc(C#N)nn1 1120128114 GQEYTJQQTYWOMZ-SECBINFHSA-N 301.314 -0.706 30 20 DBED COCC(=O)N(C)CC(=O)NC1CC2(CC(NCC#N)C2)C1 1121193322 AHAYLJVDPGXAAD-UHFFFAOYSA-N 308.382 -0.368 30 20 DBED C[C@@H](C(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1)n1cccc1 1121453806 DZWYLCPFMIENAC-NWDGAFQWSA-N 314.349 -0.278 30 20 DBED C[C@H]1CN(C(=O)CNCCNC(=O)c2cc(C#N)c[nH]2)CCO1 1125370849 XFJFLUKGSLVQAP-NSHDSACASA-N 319.365 -0.547 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)c2ncccc2O)C1=O 1126125247 PHWYKIFPTCBEDC-LLVKDONJSA-N 304.350 -0.107 30 20 DBED N#CCNC(=O)CN1CCn2ncc(CNC(=O)C3CC3)c2C1 1128150302 CGVAWOMLIMFSEO-UHFFFAOYSA-N 316.365 -0.635 30 20 DBED CNC(=O)[C@H](C)N1CCn2ncc(CNC(=O)[C@H](C)C#N)c2C1 1128265192 VTICTRNDBCCTKT-MNOVXSKESA-N 318.381 -0.391 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(CC=C)C[C@@H]1n1ccnn1 1128975958 BNEFIVXKTUQTJB-MCIONIFRSA-N 303.366 -0.156 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1cc2c([nH]1)CCOC2 1129234941 KNNFIRPHBBWASS-UHFFFAOYSA-N 305.338 -0.953 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCNCC(=O)N1CCCC1 1129774830 GVQIDOPFCGQNKT-AWEZNQCLSA-N 306.410 -0.588 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1nnc2ccccc2n1 1131398017 VAHVIPZKWPHDJH-UHFFFAOYSA-N 312.333 -0.906 30 20 DBED C[C@H]1CC[C@@H](NC(=O)Cc2ccon2)CN1CC(=O)NCC#N 1131927583 QAMMQNGQIRFJAJ-WCQYABFASA-N 319.365 -0.174 30 20 DBED C#CCNC[C@H]1CN(C(=O)CCNS(C)(=O)=O)CC[C@H]1C 1132864901 FEKPFTVSJAVYAY-OLZOCXBDSA-N 315.439 -0.367 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)CNC(=O)C1CC1 1133772812 CJXDQYDEQUQVOO-NEPJUHHUSA-N 322.409 -0.865 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@@H](C)OCc1ccncc1 1134025043 LTABKMPKUSATDC-CYBMUJFWSA-N 320.393 -0.005 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)c1nc(C)c[nH]1 1135655610 OWPBBJCFWGXXSF-QWRGUYRKSA-N 305.382 -0.046 30 20 DBED COCC#CCN1CCC2(C1)CN(C(=O)[C@H]1CCC(=O)N1)C2 1147188178 SPYDUWZGOCDOFN-CYBMUJFWSA-N 305.378 -0.551 30 20 DBED C[C@H]1CO[C@H](C(=O)N2CC3(CCN(CC(=O)NCC#N)C3)C2)C1 1147919875 CQDNVAYKFJDKGB-OLZOCXBDSA-N 320.393 -0.415 30 20 DBED C=CCOCCN1CCC2(C1)CN(C(=O)C1(C(N)=O)CC1)C2 1148174371 LAXUCQGKJVSFCK-UHFFFAOYSA-N 307.394 -0.011 30 20 DBED CC(C)NC(=O)CCCC(=O)NCCNCC(=O)NCC#N 1148248996 DNENGFLPDYOQFZ-UHFFFAOYSA-N 311.386 -0.973 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)NCCNCc1ccnn1C 1152399123 OPILALMFNUHYHN-UHFFFAOYSA-N 322.413 -0.110 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)C[C@@H]1COC(=O)C1 1152827593 SPCOAZGEEXMISX-NEPJUHHUSA-N 324.381 -0.594 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)c1nccc(C)n1 1153052204 LLMSPHFMQDKWDK-GFCCVEGCSA-N 318.381 -0.135 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)CCCn1ccnc1 1153351192 RAIMZSXDDDQRDP-ZDUSSCGKSA-N 305.382 -0.493 30 20 DBED C#CCNC(=O)CNCC1(CCNC(=O)[C@H](C)OCC#C)CC1 1164505160 SYYZHBLLXPZCHZ-AWEZNQCLSA-N 319.405 -0.350 30 20 DBED CN(C)S(=O)(=O)CC(=O)NCCC1(CNCC#N)CC1 1167922984 RVKJHZUQLGELHP-UHFFFAOYSA-N 302.400 -0.723 30 20 DBED CC#CCNCCCNC(=O)C[C@]1(C)CCS(=O)(=O)N1 1174665594 AAIQHABQAIBQJR-ZDUSSCGKSA-N 301.412 -0.423 30 20 DBED COCC#CCNCCCNC(=O)[C@H](C1CC1)N1CCOCC1 1176676625 WZIOPBCLDWDJSW-INIZCTEOSA-N 323.437 -0.157 30 20 DBED CCCC(=O)N1CC[C@@H]2OCCN(CC(=O)NCC#N)[C@@H]2C1 1176882103 LBRKYAKNCLJARX-OLZOCXBDSA-N 308.382 -0.272 30 20 DBED N#CCN1CCO[C@H]2CCN(C(=O)CNC(=O)C3CC3)C[C@@H]21 1176925212 WAERVBZLEZHYJI-STQMWFEESA-N 306.366 -0.662 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2cncnc2C)C1 1181191963 CYPYRKYWPPJFNM-GFCCVEGCSA-N 301.350 -0.661 30 20 DBED CNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 1181879923 XZEQOKCSUHNKMJ-SNVBAGLBSA-N 318.337 -0.854 30 20 DBED Cc1ccc(CC(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)o1 1182059294 NWXOXXJCLSYSBQ-GFCCVEGCSA-N 304.350 -0.039 30 20 DBED COc1cc(C(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)sn1 1182676235 FPIUANAJIZKCEL-SECBINFHSA-N 323.378 -0.404 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@@H](N[C@@H](C)C(=O)N(C)C)C1 1183361436 UMVGAILIMCCEMW-ZNMIVQPWSA-N 320.437 -0.249 30 20 DBED CC#CCN[C@@H]1CCN(C(=O)CN(C)CC(=O)NC(C)C)C1 1183939905 PENDTMKLCIHDCC-CQSZACIVSA-N 308.426 -0.343 30 20 DBED C=CCOCC(=O)N1CC[C@@H](CNCc2nnn(C)n2)[C@@H](C)C1 1184087759 FMFHHDODAAEFDN-STQMWFEESA-N 322.413 -0.013 30 20 DBED C=CCNC(=O)[C@@H](C)N(C)[C@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 1192072744 KDTBOTAZVYYUSY-NEPJUHHUSA-N 322.409 -0.525 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)[C@@H](CC)NC(C)=O)C1 1192473123 SRXUJOKMFRVGHX-UONOGXRCSA-N 322.409 -0.817 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2nonc2C)C[C@H]1O 1192844129 JNLFLWBKFCGHLU-CYZMBNFOSA-N 308.338 -0.922 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2[nH]cnc2C)C1 1194531065 HOWPTRDHLXLRTP-GFCCVEGCSA-N 303.366 -0.386 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C2(C)C[C@@H]3C[C@H]3C2)C1 1194893041 NSXFLFBSWCFCSK-IGQOVBAYSA-N 321.421 -0.114 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1CN([C@H]2CCC(=O)NC2=O)C[C@H]1O 1195312415 OPMRXQUDWAZXBI-OUAUKWLOSA-N 309.366 -0.835 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCCN([C@@H]2CCC(=O)NC2=O)CC1 1195681857 KVMNGJSTPAOMMF-MLGOLLRUSA-N 323.393 -0.347 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)c2n[nH]cc2F)CC1 1197068422 JBPGRHRWUWJAAB-UHFFFAOYSA-N 307.329 -0.554 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)c2cccn2C)CC1 1199339743 JVUOUEMSMBINRH-UHFFFAOYSA-N 302.378 -0.031 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)c2cnn(C)c2)CCCO1 1199797332 PUHRDZXOEPWKDF-OAHLLOKOSA-N 320.393 -0.109 30 20 DBED N#CCNC[C@H]1CN(C(=O)[C@H]2CCc3nn[nH]c3C2)CCCO1 1201849012 RRPNYFJEHFZIQL-RYUDHWBXSA-N 318.381 -0.360 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)C[C@@H](C)COC)CC1 1203148233 OURHLYVHWPCSBM-CYBMUJFWSA-N 309.410 -0.011 30 20 DBED C#CCCNCC1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 1206420127 JQQJJSNVUTUSGF-LBPRGKRZSA-N 306.366 -0.564 30 20 DBED CO[C@@H]1CN(CCc2cnn(C)c2)C[C@H]1NC(=O)[C@@H](C)C#N 1212041164 GWPNSWORBXYLRK-IACUBPJLSA-N 305.382 -0.062 30 20 DBED C=CCN1C[C@@H](NC(=O)[C@@H](C)CS(C)(=O)=O)[C@H](OC)C1 1213934451 UKJVFBXMLIOYJO-QJPTWQEYSA-N 304.412 -0.332 30 20 DBED CC#CCN[C@@H]1CN(C(=O)c2cnc(O)n(C)c2=O)C[C@H]1C 1215292002 MGOBAUHJJZESAJ-ZYHUDNBSSA-N 304.350 -0.441 30 20 DBED CCN(C)CCC(=O)N1C[C@@H](NCC(=O)NCC#N)[C@H](C)C1 1216217571 ZHYVAHZRUIVYOF-CHWSQXEVSA-N 309.414 -0.596 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(Cc2nnc(C)n2CC)C[C@@H]1O 1219361932 LVAMRFDGDNHRMT-OLZOCXBDSA-N 323.397 -0.530 30 20 DBED C=CCOCC(=O)N[C@@H]1CN([C@H]2CCN(CC=C)C2=O)C[C@@H]1O 1219363977 SAPDGIZTWHRXCQ-RDBSUJKOSA-N 323.393 -0.863 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C(C)(C)COC)C1 1220009016 SVPXPEDPPIEDTD-NEPJUHHUSA-N 313.398 -0.878 30 20 DBED CC(C)(C)OCC(=O)N1C[C@H]2CCN(CC(=O)NCC#N)C[C@H]21 1221494381 YLTJVIHRCHISNX-CHWSQXEVSA-N 322.409 -0.026 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)[C@@H]2CCO[C@@H]2C)CC1 1224948192 VXPUMFQNZYCBBB-UKRRQHHQSA-N 321.421 -0.011 30 20 DBED C=CCN1CCS(=O)(=O)[C@@H](CCNC(=O)[C@H](O)C(C)C)C1 1230461182 ZGCVGFKEPBZDGH-QWHCGFSZSA-N 318.439 -0.205 30 20 DBED CCO[C@H](CC)C(=O)N(C)C[C@@H]1CCN1CC(=O)NCC#N 1230958243 NCWKGWQDLBNPKM-QWHCGFSZSA-N 310.398 -0.026 30 20 DBED C=C[C@@](C)(O)CC(=O)N(C)C[C@@H]1CCN1CCN1CCNC1=O 1233976266 DGAZFIMYQLMZKE-XJKSGUPXSA-N 324.425 -0.129 30 20 DBED CCc1oncc1C(=O)N[C@H]1CCN(CC(=O)NCC#N)C1 1269069814 WDHJDMPVOJABBF-JTQLQIEISA-N 305.338 -0.319 30 20 DBED N#CCOc1ccc(NC(=O)C(=O)N2CC[C@@H](C(N)=O)C2)cc1 1318291903 BHVFZWUJZWUHDG-SNVBAGLBSA-N 316.317 -0.139 30 20 DBED COC[C@H](O)CNC(=O)C(=O)Nc1cccc(OCC#N)c1 1322773842 MLGHDFFKFBAJNW-LLVKDONJSA-N 307.306 -0.349 30 20 DBED C=CCSCCNC(=O)C(=O)N1CCN2C(=O)NC[C@H]2C1 1323606556 CIIFHDMIBPEXSF-JTQLQIEISA-N 312.395 -0.742 30 20 DBED C=CCN1C(=O)C(=O)N(Cc2nc([C@H]3CCCN3)no2)C1=O 1326209894 WZQDJNNSGACADG-MRVPVSSYSA-N 305.294 -0.029 30 20 DBED N#CCn1cc(NC(=O)C(=O)N2CCC[C@@H](CO)CC2)cn1 1330399357 YDJQVYNPMVJAAN-LLVKDONJSA-N 305.338 -0.034 30 20 DBED C=CCSCCNC(=O)C(=O)NCCCS(C)(=O)=O 1345432064 FMCMIFBVFIRXJD-UHFFFAOYSA-N 308.425 -0.427 30 20 DBED C#C[C@H](CCC)NC(=O)[C@@H]1[C@H](O)C(=O)N(C)[C@H]1c1cnn(C)c1 1348473145 HQDOGAIPUQCSFB-RFGFWPKPSA-N 318.377 -0.172 30 20 DBED C=C(CC)Cn1nnnc1N1CCN(S(C)(=O)=O)CC1 1352538012 MOLWBRWVLCJNHC-UHFFFAOYSA-N 300.388 -0.279 30 20 DBED COC(=O)[C@@H]1CSCCN1C(=O)[C@@H](C)n1cnc(C#N)n1 1361897238 KANYVPWKSWGKOH-BDAKNGLRSA-N 309.351 -0.172 30 20 DBED N#Cc1cn(CCC(=O)N[C@H]2CC[C@H](O)CC2)c(=O)nc1O 1362154851 KPWPATKUBBREQN-XYPYZODXSA-N 306.322 -0.370 30 20 DBED COC[C@@H](NC(=O)Cn1cc(C#N)c(O)nc1=O)c1ccco1 1362181053 MAMKMRLFXSKEKQ-SNVBAGLBSA-N 318.289 -0.083 30 20 DBED N#Cc1cccc(C(=O)N2CCS(=O)(=O)[C@@H]3COCC[C@@H]32)n1 1363252117 VZGWSYADPCFFJO-QWHCGFSZSA-N 321.358 -0.019 30 20 DBED N#CCc1ccccc1C(=O)N1C[C@@H](C(N)=O)[C@@H](C(N)=O)C1 1363317080 PFUVSMOSOMWMST-TXEJJXNPSA-N 300.318 -0.589 30 20 DBED COC(=O)[C@@](C)(CO)NS(=O)(=O)c1ccc(F)cc1C#N 1365713747 XPQFAPOMKVEBLO-GFCCVEGCSA-N 316.310 -0.100 30 20 DBED C[C@H](CNC(=O)c1ccc2nn[nH]c2n1)NC(=O)[C@H](C)C#N 1372922490 PZNMUDCGBUNFKR-HTQZYQBOSA-N 301.310 -0.253 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1C[C@@H](NC(=O)CO[C@@H]2CCOC2)C1 1384551265 YTWVGTYRBXMVGM-WUHRBBMRSA-N 309.366 -0.037 30 20 DBED Cc1noc(CCC(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2O)n1 1384732512 MMJBMQSBADMMBI-FBIMIBRVSA-N 321.337 -0.842 30 20 DBED C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)[C@H]1COCCO1 1386716753 VPDJPESXEFRAPU-JOYOIKCWSA-N 306.322 -0.464 30 20 DBED C[C@@H](CC(N)=O)C(=O)NC[C@@H](O)CNCc1ccccc1C#N 1401546641 BPOZBOPSXISQBM-FZMZJTMJSA-N 318.377 -0.364 30 20 DBED CN(Cc1nnc2n1CCNC2=O)C(=O)c1cc(C#N)ccn1 1412603507 HLUPTFCJHCXPCZ-UHFFFAOYSA-N 311.305 -0.440 30 20 DBED C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)c1ncn(C)n1 1416891569 FVETYPIUEFYVKB-QMMMGPOBSA-N 301.310 -0.437 30 20 DBED COC(=O)c1ccc(N2CC[C@H]3OCC(=O)N[C@@H]3C2)c(C#N)n1 1421156006 MEVCRKVRJDXMIW-DGCLKSJQSA-N 316.317 -0.166 30 20 DBED CCN1CCOC[C@@H]1C(=O)N1CCC(NC(=O)[C@@H](C)C#N)CC1 1429665984 BUWYMUWGBGYXHB-GXTWGEPZSA-N 322.409 -0.026 30 20 DBED CNC(=O)NC(=O)CNC1(CNC(=O)c2cc(C#N)c[nH]2)CC1 1439601379 KECPECPAHPFDFH-UHFFFAOYSA-N 318.337 -0.806 30 20 DBED Cc1nc(CC(=O)N2CC[C@@H](N(C)C(=O)[C@@H](C)C#N)C2)n[nH]1 1453650027 ACPFZAOPXLKLEY-GXSJLCMTSA-N 304.354 -0.125 30 20 DBED CNC(=O)NCCC(=O)N[C@H]1[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]21 1454503393 WZEQOMDAGSVIQK-UXCLJVHYSA-N 307.354 -0.962 30 20 DBED CC(C)NC(=O)CNCC1(O)CCN(C(=O)[C@@H](C)C#N)CC1 1484949315 DNUROYZZIKRZNL-LBPRGKRZSA-N 310.398 -0.386 30 20 DBED CNC(=O)NCCC(=O)N(C)[C@H](CNC(=O)[C@H](C)C#N)C1CC1 1510352050 IGXWKEDONIXHOA-ZYHUDNBSSA-N 323.397 -0.182 30 20 DBED C=C(CCC(=O)O)C(=O)N(C)Cc1nnc2n1CCNC2=O 1573325100 CSDZAGREGYAWGX-UHFFFAOYSA-N 307.310 -0.599 30 20 DBED C=CCCOCC(=O)N1CC(N(C)C(=O)[C@H]2C[C@H]2C(=O)O)C1 1573359908 AWYSFUYHVORYBH-NWDGAFQWSA-N 310.350 -0.031 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](O)CNCc1cnn[nH]1 1575053587 JWKQJFATIOWUME-AVGNSLFASA-N 309.370 -0.647 30 20 DBED C[C@H](CS(C)(=O)=O)N(C)c1cnc(C#N)c(-c2nn[nH]n2)n1 1575184727 BENMMKWTZDOANT-SSDOTTSWSA-N 322.354 -0.602 30 20 DBED CNC(=O)NC[C@H]1COCCN1C(=O)[C@@H](N)CCCCC#N 1578558217 RITGXYOYBAUYHD-RYUDHWBXSA-N 311.386 -0.446 30 20 DBED Cn1nc2c(c1S(=O)(=O)N1CCNC[C@@H]1C#N)CCCC2 1579998745 VDYUDMNCVFKXGF-JTQLQIEISA-N 309.395 -0.215 30 20 DBED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1CNOC1 1580536569 PHQFLAGEZJFYFR-VIFPVBQESA-N 324.362 -0.865 30 20 DBED C#CCN(CC(=O)O)C(=O)[C@@H](NC(=O)C1CCCC1)[C@H](C)O 1588397593 MZEZDIJRIAZLAN-GWCFXTLKSA-N 310.350 -0.411 30 20 DBED C=CCOC[C@H]1NC(=O)N(CC2(C(=O)O)CCOCC2)C1=O 1588465183 OIGBREOHJGNEEF-SNVBAGLBSA-N 312.322 -0.009 30 20 DBED C[C@@H](C#N)CNC(=O)N1CCN([C@@]2(C(=O)O)CCOC2)CC1 1589330835 RRWFNIOUXBDYFV-FZMZJTMJSA-N 310.354 -0.283 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N1CCO[C@H](CC(=O)O)C1 1589330842 RUYBJSXXOIGXKV-NXEZZACHSA-N 305.356 -0.502 30 20 DBED Cn1cc(C#N)c(=O)n(Cc2cc(-c3nn[nH]n3)ccn2)c1=O 1592563383 GTBMXEBMYLEQKN-UHFFFAOYSA-N 310.277 -0.958 30 20 DBED C[C@H]1COCCN(C(=O)C(=O)N2CCC(C#N)(C(=O)O)CC2)C1 1594606856 GYCXOURYXWPIBJ-LLVKDONJSA-N 323.349 -0.302 30 20 DBED C#CCOCCNC(=O)C(=O)NCc1ccccc1C(=O)O 1602702110 JKFNZASHPMACME-UHFFFAOYSA-N 304.302 -0.233 30 20 DBED C#CCN(C)CCCNC(=O)N1C[C@@H]2C[C@@H](N)C[C@]2(C(=O)O)C1 1602713950 WYRGDKHKWJBDDM-ZENOOKHLSA-N 322.409 -0.225 30 20 DBED C=CCCC(=O)N[C@H](C)CN=c1cc[nH]c(-c2nn[nH]n2)n1 1602826935 NYUARAUTKNMRNX-SECBINFHSA-N 302.342 -0.039 30 20 DBED C=CC[C@@H]1CCN(C(=O)C(=O)N2C[C@H](O)C[C@@H](C(=O)O)C2)C1 1602855538 TWSFDCXWSYWSKJ-IJLUTSLNSA-N 310.350 -0.295 30 20 DBED CCCNC(=O)[C@@H](C)Nc1cnc(C#N)c(-c2nn[nH]n2)n1 1604220041 RLPZMRVNINVOBB-SSDOTTSWSA-N 301.314 -0.145 30 20 DBED CO[C@]1(CNC(=O)[C@](C)(C#N)CC(=O)O)CCS(=O)(=O)C1 1604487654 SAZXTLGDNHHDPI-RYUDHWBXSA-N 318.351 -0.689 30 20 DBED N#Cc1ncn(CCNC(=O)N2CCC([C@H](O)C(=O)O)CC2)n1 1610636322 KIYJTOPDBCSXIO-NSHDSACASA-N 322.325 -0.983 30 20 DBED Cn1cc(-n2cc(C(=O)N3CCOC[C@@H]3C#N)ccc2=O)cn1 1645677721 MBRBXZSVFAUTCX-LBPRGKRZSA-N 313.317 -0.064 30 20 DBED COCC[C@H](NS(=O)(=O)Cc1ccc(C#N)cc1)C(N)=O 1649805484 TZMWFLPQFZTXGO-LBPRGKRZSA-N 311.363 -0.132 30 20 DBED C#CCCN1CC[C@H](NC(=O)[C@@H](CCC)S(N)(=O)=O)C1 1698547791 ZZLCKRRCWFTOKY-NWDGAFQWSA-N 301.412 -0.343 30 20 DBED C[C@@H]1[C@@H](NC(=O)C#CC2CC2)CCN1C(=O)C1CS(=O)(=O)C1 1738922638 DQWNBFBSZYSKPK-MFKMUULPSA-N 324.402 -0.450 30 20 DBED C#CCN1CCC(N(C)C(=O)CCS(=O)(=O)N(C)C)CC1 1752310312 KGUZGMJMHUQKMC-UHFFFAOYSA-N 315.439 -0.176 30 20 DBED C#CCNC(=O)CN[C@H](C)CCNC(=O)CN1CC[C@H](C)C1 1753014477 KNUQBUKVTFZAHO-UONOGXRCSA-N 308.426 -0.438 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC(CNC(=O)C2(COC)CC2)C1 1753406828 LCNHNSAKLKBMGC-GFCCVEGCSA-N 307.394 -0.401 30 20 DBED CCN(C(=O)[C@H](O)C(C)C)[C@H]1CCN(CC(=O)NCC#N)C1 1753454794 CWYRJUUXMWIHND-GXTWGEPZSA-N 310.398 -0.434 30 20 DBED C#CCNC(=O)CNC[C@@H](C)CNC(=O)c1ncccc1O 1753609666 IFNIAEACBNUXNL-LLVKDONJSA-N 304.350 -0.508 30 20 DBED C#CCNCC[C@H]1CCN(C(=O)CN(C)S(C)(=O)=O)C1 1754916747 BMUBYJDKGIFBOK-LBPRGKRZSA-N 301.412 -0.661 30 20 DBED C=CCNC(=O)[C@H](C)NC[C@@H]1CN(C(=O)CCOC)CCO1 1754996924 VARSMQAYHYHTTF-QWHCGFSZSA-N 313.398 -0.469 30 20 DBED N#CCNC(=O)CNC[C@@H]1CN(C(=O)c2ccsn2)CCO1 1755002909 BJLIKMWMUWCORM-SNVBAGLBSA-N 323.378 -0.787 30 20 DBED CC(=O)N1CC[C@@](C)(C(=O)N2CCO[C@@H](CNCC#N)C2)C1 1755011728 BMPDBJBUCVOWQQ-DZGCQCFKSA-N 308.382 -0.415 30 20 DBED CCS(=O)(=O)N[C@H](C)C(=O)N1C[C@H](NCC#N)C(C)(C)C1 1755758672 CCFJMEAKPBHJOQ-MNOVXSKESA-N 316.427 -0.336 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@H](O)CN(C)C(=O)c1ccsc1 1755771751 RSJUOGGZJOXOJN-AAEUAGOBSA-N 323.418 -0.092 30 20 DBED C=CCCNC[C@H](O)CN(C)C(=O)c1cnc2[nH]nnc2c1 1755781516 GLQUCTRRTXSJIV-NSHDSACASA-N 304.354 -0.049 30 20 DBED CN(C[C@H](O)CNCC#N)C(=O)C(C)(C)CN1CCOCC1 1755790327 GWSFQXWQVRCYFC-CYBMUJFWSA-N 312.414 -0.723 30 20 DBED CN(C[C@@H](O)CNCC#N)C(=O)c1ccnc(N2CCCC2)n1 1755794564 SWAIAQUSTZAESD-LBPRGKRZSA-N 318.381 -0.377 30 20 DBED CC(C)C#CC(=O)N1C[C@@H]2C(CNC(=O)[C@H]3COCCO3)[C@H]2C1 1756190928 CEZLYTACNHFPPB-RBSFLKMASA-N 320.389 -0.118 30 20 DBED C#Cc1ccc(C(=O)N[C@@H](CO)CNC(=O)c2cccnc2)cn1 1756500807 FGSBXCJIZHUICD-OAHLLOKOSA-N 324.340 -0.021 30 20 DBED C=C(C)CCC(=O)N1C[C@H](O)[C@H](NC(=O)CCc2nc[nH]n2)C1 1757165052 GTHAGBSXSXPTRU-NEPJUHHUSA-N 321.381 -0.219 30 20 DBED CN(CC(N)=O)C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1771596035 XWMUWZOLSNRRRY-LLVKDONJSA-N 300.318 -0.145 30 20 DBED COC(=O)NCC(=O)N1CC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1784260666 ZVHVUOOODIRKQI-AWEZNQCLSA-N 324.337 -0.914 30 20 DBED CN(C)CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC(=O)O 1801986789 FXHUUZPZYVNPRX-ZSBIGDGJSA-N 307.350 -0.726 30 20 DBED COc1cc(/C(O)=N/S(C)(=O)=O)ccc1OCC(N)=O 48480249 BGVWIXVNLKRXEE-UHFFFAOYSA-N 302.308 -0.177 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1CCc2nn(C)c(=O)cc2C1 78623472 JEAKCQDQSXXVKU-JTQLQIEISA-N 319.365 -0.461 30 20 DBED CN1C(=O)C[C@H](NS(=O)(=O)Cc2ccc(C#N)cc2)C1=O 116074658 OQYIJSDIROITGV-NSHDSACASA-N 307.331 -0.265 30 20 DBED COC(=O)[C@H](c1cccc(C#N)c1)N1CCN(CC(N)=O)CC1 177024575 DYVRWZTZYJWALN-HNNXBMFYSA-N 316.361 -0.125 30 20 DBED C#Cc1cccc(NC(=O)C(=O)N2CCN3C(=O)NC[C@@H]3C2)c1 177314525 MAKQKLFMXXFXJZ-CYBMUJFWSA-N 312.329 -0.158 30 20 DBED CCS(=O)(=O)N1CC(CNC(=O)c2cc(C#N)cn2C)C1 190398212 PPAPVGKVMONPSR-UHFFFAOYSA-N 310.379 -0.092 30 20 DBED C=CCN(CCOC)CCn1cnc2c1c(=O)n(C)c(=O)n2C 191078782 DBVNLGOYKVOMGC-UHFFFAOYSA-N 321.381 -0.432 30 20 DBED COCCN/C(N)=N/Cc1ccccc1S(=O)(=O)N(C)C 264088796 KLLDIKWVRVZZOJ-UHFFFAOYSA-N 314.411 -0.012 30 20 DBED C#CCN(CC)C(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 264140298 GEDSHDWDZRPJPR-AWEZNQCLSA-N 307.394 -0.351 30 20 DBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)CCO 270305844 XRSNUTOZWYFMTE-JTQLQIEISA-N 311.363 -0.324 30 20 DBED CCOC(=O)CO/N=C(/C(=O)NC1CCOCC1)c1cc[nH]n1 276526955 DGCDZLMZEQGXBC-QGOAFFKASA-N 324.337 -0.011 30 20 DBED C#C[C@@H](NC(=O)C(=O)Nc1cnc(OC)c(C(N)=O)c1)C(C)C 281664947 YSOLXKSDGUAWEC-LLVKDONJSA-N 318.333 -0.098 30 20 DBED C=C(C)CN/C(N)=N/CCS(=O)(=O)NC[C@H]1CCCCO1 304764834 YNDWYXGRICOREW-GFCCVEGCSA-N 318.443 -0.045 30 20 DBED C[C@H](N/C(O)=N/C[C@@H]1CN(C)CCN1C)C(=O)N1CCCC1 329307562 PRUJCCHPGYDXGQ-QWHCGFSZSA-N 311.430 -0.253 30 20 DBED CN1CCO[C@@H]2CN(S(=O)(=O)c3cncc(C#N)c3)C[C@H]21 329777970 KUKJCEWHOSUCQI-CHWSQXEVSA-N 308.363 -0.343 30 20 DBED CNS(=O)(=O)c1cc(/C(O)=N/[C@@H]2CNC(=O)C2)c(C)o1 330747303 WXSMHRXHJQVIPA-ZETCQYMHSA-N 301.324 -0.311 30 20 DBED CO[C@H]1CN(/C(O)=N/C[C@H](C)N2CCOCC2)C[C@H]1OC 331141076 XESJSVOQPMKNAX-RWMBFGLXSA-N 301.387 -0.033 30 20 DBED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCOC[C@@H](O)C2)CC1 332340971 POESCZHAHOPWOF-LSDHHAIUSA-N 324.425 -0.628 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@@](C)(O)CN(C)C 336942234 KJSRMWGEEMLPLB-VXGBXAGGSA-N 306.432 -0.385 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCS(=O)(=O)CC1 337099737 USVBRCCYSIDGCS-JTQLQIEISA-N 309.413 -0.557 30 20 DBED CCN(CCC#N)S(=O)(=O)NC[C@H](CO)[C@@H]1CCOC1 337145173 DPWVXUGMOQLVBM-VXGBXAGGSA-N 305.400 -0.299 30 20 DBED CCSc1nnc(NC(=O)NCC(=O)NCC#N)s1 348063270 LWCITBIIXIMQGU-UHFFFAOYSA-N 300.369 0.411 30 20 DBED CC(=O)NCC(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 350248895 JELYVLLXHRMIPL-UHFFFAOYSA-N 304.354 -0.615 30 20 DBED COC(=O)[C@@H]1CNC(=O)CN1C(=O)c1ccc(F)c(C#N)c1 355477627 GDAPHGCRAAEEFR-NSHDSACASA-N 305.265 -0.189 30 20 DBED C=C[C@H](CO)NC(=O)[C@H]1CC(=O)N(C)[C@H]1c1cnn(C)c1C 356860083 WYTCAGHYGNOMQM-UHIISALHSA-N 306.366 -0.089 30 20 DBED COc1cc(C#N)ccc1S(=O)(=O)NC[C@@]1(O)CCOC1 361960647 BKRUACQSBMDFMZ-ZDUSSCGKSA-N 312.347 -0.003 30 20 DBED Cn1ccc(=O)n(C[C@@H](O)COc2ccccc2C#N)c1=O 402248543 OAWHIWFUEBMWLC-GFCCVEGCSA-N 301.302 -0.141 30 20 DBED CCN(CCC#N)C(=O)CN1CCC[C@@H]1C(=O)NCC(=O)OC 419346972 OTDNCMCGYXNRCA-GFCCVEGCSA-N 324.381 -0.498 30 20 DBED CN(CCCc1[nH]nc(N)c1C#N)c1cncc(C(N)=O)n1 530695613 FRYQCYZUFVFUNF-UHFFFAOYSA-N 300.326 -0.179 30 20 DBED C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@H]1CS(=O)(=O)CCO1 562370262 ZKZRSJQQKYKTAA-QJPTWQEYSA-N 303.380 -0.103 30 20 DBED CC(C)(C#N)CCS(=O)(=O)NC[C@H]1CC[C@@H](C(N)=O)O1 569411472 JRXZDDHQRCYTOO-ZJUUUORDSA-N 303.384 -0.121 30 20 DBED Cc1ncc(S(=O)(=O)NC[C@@H](O)[C@H]2CCOC2)cc1C#N 574699406 NTONTLVPPBCLBM-GXFFZTMASA-N 311.363 -0.063 30 20 DBED CC[C@H](CC#N)NC(=O)c1nc(N)nc(N2CCOCC2)n1 575063948 LPEPCAODIMRVMU-SECBINFHSA-N 305.342 -0.288 30 20 DBED C=CCCC[C@@H](C)NC(=O)C(=O)NCC(=O)N1CCNCC1 575355527 VDDUDXVOPHXYNO-GFCCVEGCSA-N 310.398 -0.605 30 20 DBED COC(=O)[C@@H]1CNC(=O)CN1C(=O)c1cc(C)c(C#N)cn1 575753479 VDWQVARMOCKKET-NSHDSACASA-N 302.290 -0.625 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)NCCc2nc(N)n[nH]2)cc1 590550267 ATAYXWTWHCHZMD-UHFFFAOYSA-N 313.321 -0.653 30 20 DBED CS(=O)(=O)N1CCCC[C@@H]1C(=O)N1CC[C@](O)(CC#N)C1 592837897 LCIPYNYVRFKXIS-DGCLKSJQSA-N 315.395 -0.322 30 20 DBED C[C@@H](C#N)N(C(=O)C1CCN(S(N)(=O)=O)CC1)C1CC1 598125286 IMRVXKIWRHVQBG-VIFPVBQESA-N 300.384 -0.195 30 20 DBED CC(C)[C@](C)(C#N)NC(=O)CN1C(=O)N[C@@]2(CCOC2)C1=O 611115406 SBVXGVCEZSOYDL-UONOGXRCSA-N 308.338 -0.248 30 20 DBED CCS(=O)(=O)NCCCNC(=O)N1CC[C@@](F)(C#N)C1 615536692 IQYSYTQVFZLKBR-LLVKDONJSA-N 306.363 -0.037 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)NC[C@H]2CCCNC2=O)cc1 619868179 ZJGMIWJZPHBEQH-CYBMUJFWSA-N 314.345 -0.070 30 20 DBED C=CCCOCCNC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1OC 660953729 BVZFUCQWMKUYMH-GHMZBOCLSA-N 306.384 -0.310 30 20 DBED C=CCCn1cc(CNCCNS(=O)(=O)N(C)C)nn1 668147204 AHOCURBGERAYMZ-UHFFFAOYSA-N 302.404 -0.660 30 20 DBED C[C@@H]1C(=O)NCCN1C(=O)NCCNc1ncccc1C#N 730123305 ZELJLALBWDSEFI-SNVBAGLBSA-N 302.338 -0.105 30 20 DBED C#CCOCCNC(=O)C1(C(=O)NCCOCC#C)CCC1 753227493 MNXNWJBSRVNCOH-UHFFFAOYSA-N 306.362 -0.311 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)[C@H]1CCN(C(=O)CC)C1 773220757 DTHNRFWNBQRFNW-JTQLQIEISA-N 311.338 -0.200 30 20 DBED C#CCOCCNC(=O)NCCCN(C)S(=O)(=O)CC 784223678 RSOCYWQUMNOTBQ-UHFFFAOYSA-N 305.400 -0.393 30 20 DBED CC(C)[C@@H](F)C(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1 784509570 DBHZRXOMJKRJAQ-VHSXEESVSA-N 304.343 -0.054 30 20 DBED C=CCN1CC[C@H](OC(=O)Cn2cnc3c(N)ncnc32)C1=O 798631450 PUGXSFMWCNOREN-VIFPVBQESA-N 316.321 -0.261 30 20 DBED C#CCC[C@H](O)CNC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O 799077344 DTTBWBCNXBONTG-XHDPSFHLSA-N 307.350 -0.403 30 20 DBED COC[C@@H](C#N)OC(=O)CNS(=O)(=O)c1ccccc1N 800233866 GXZFHCLWFCSFES-SECBINFHSA-N 313.335 -0.371 30 20 DBED C#CCC[C@H](O)CNC(=O)NC1CC(NS(C)(=O)=O)C1 802421905 BTMWANHXKCEPKU-ILDUYXDCSA-N 303.384 -0.860 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@@H]1CCN(C)[C@@H](C)C1)[C@H]1CCCO1 806041949 LZFIEKWUWPNNRY-RFQIPJPRSA-N 307.394 -0.118 30 20 DBED C#CCCCNC(=O)C(=O)NC[C@H]1CCCN1S(C)(=O)=O 806915246 IXQXODACJIUTJU-LLVKDONJSA-N 315.395 -0.944 30 20 DBED CN(CCC(=O)O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 818432336 RUMYHFHUEDRKOE-QXMHVHEDSA-N 310.310 -0.371 30 20 DBED N#CCN(CC(=O)O)CC(=O)NCCCN1CCCCCC1=O 833066053 NMGMFMXNCXHYLP-UHFFFAOYSA-N 324.381 -0.195 30 20 DBED C#CCOCCC(=O)N1CCN(c2ccc(C(=O)O)nn2)CC1 833364662 WIQFZDOHKPVZPJ-UHFFFAOYSA-N 318.333 -0.137 30 20 DBED CCN(C[C@H](C)C#N)C(=O)COC(=O)[C@H]1CCS(=O)(=O)N1 845370559 SSKCAZHEVNSCCE-NXEZZACHSA-N 317.367 -0.771 30 20 DBED C#CC1CCN(C(=O)c2nc(N)nc(N3CCOCC3)n2)CC1 846277550 JFERHILRJFDFKF-UHFFFAOYSA-N 316.365 -0.224 30 20 DBED C[C@@H](Cc1ccc(C#N)cc1)C(=O)NS(=O)(=O)CC(N)=O 847679439 PDIDZKZBUKKPLB-VIFPVBQESA-N 309.347 -0.332 30 20 DBED Cn1cc(C=NNc2ccc([N+](=O)[O-])cn2)c(=O)n(C)c1=O 915966600 YLKXGBMGANKJTN-UHFFFAOYSA-N 304.266 -0.167 30 20 DBED CO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1NC(=O)Cn1nccc1C 941824764 UYFBTSDGRVXDLD-RAIGVLPGSA-N 319.365 -0.307 30 20 DBED CC#CCN1CC[C@H](NC(=O)CN2CCN(C)C(=O)C2)[C@@H](C)C1 942201447 WARLPMISHRUNHU-GJZGRUSLSA-N 320.437 -0.390 30 20 DBED CCN(C(=O)c1cc(=O)n2[nH]cnc2n1)C1CN(CC#N)C1 957134663 ZTRNGMRGUUMACF-UHFFFAOYSA-N 301.310 -0.913 30 20 DBED CCCc1c(C(=O)NC[C@H]2CN(CC#N)C[C@@H]2O)cnn1C 958210470 MWXCOKDJPVPBQP-FZMZJTMJSA-N 305.382 -0.081 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](CNC(=O)c2ccc(C(N)=O)o2)C1 958239015 IRNVJJRRBIPYHE-MNOVXSKESA-N 307.350 -0.023 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2ccnc3c2ncn3C)C1 958400655 XYVZLMRBABCFKH-DGCLKSJQSA-N 313.361 -0.376 30 20 DBED CN(C)C(=O)CN1C[C@H]2C(NC(=O)c3c[nH]c(C#N)c3)[C@@H]2C1 958619052 ZJAZMIQUZFTDRA-VXGBXAGGSA-N 301.350 -0.365 30 20 DBED CC#CCN1C[C@H]2C(NC(=O)[C@@H]3CCN(C)S3(=O)=O)[C@@H]2C1 962005733 DGKJSBKGOPXEQX-UTUOFQBUSA-N 311.407 -0.910 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)CC2CCN(C)CC2)C1 963032722 XPHQCBOHNSTSMR-YUTCNCBUSA-N 322.409 -0.434 30 20 DBED C=CCN1CC[C@@H](NC2CCC(N(C)C(=O)C(N)=O)CC2)C1=O 963854835 QWUBOODKQFIEQG-WXRRBKDZSA-N 322.409 -0.382 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)c1ncccc1O 964161308 ZWANIMIFEUDVPT-GHMZBOCLSA-N 318.333 -0.096 30 20 DBED C[C@H](C#N)C(=O)N1CCOC2(CN(C(=O)[C@@H]3COCCO3)C2)C1 965473793 PCNDVAQFCFSHLQ-NEPJUHHUSA-N 323.349 -0.999 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CCNC(=O)C1 968821525 XCOOHLBBJFRJFM-XQHKEYJVSA-N 318.377 -0.126 30 20 DBED N#CCN1CCCCC[C@H]1CNC(=O)[C@@H]1CCS(=O)(=O)N1 969150061 CNZMKEODRZRTPT-RYUDHWBXSA-N 314.411 -0.438 30 20 DBED C=CCCn1cc(C(=O)N2CC[C@@H](N[C@@H](C)C(N)=O)C2)nn1 970224561 RXJSDEOESIDXPM-WDEREUQCSA-N 306.370 -0.468 30 20 DBED C=CCN1CCO[C@@]2(CCN(C(=O)[C@@H]3CC(=O)N(C)C3)C2)C1 972410915 XBKNCEXZIGXCQY-CJNGLKHVSA-N 307.394 -0.046 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCN(C(=O)CC(N)=O)C1 975550738 WIPNKFBTEIKHTO-UPJWGTAASA-N 323.393 -0.192 30 20 DBED CC#CCN1C[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C(C)(C)C1 977602620 LZUVECMOWIPJGV-NEPJUHHUSA-N 313.423 -0.472 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)C2CC(=O)NC(=O)C2)[C@H]1C 988950760 FEAYIFHMDGKPQI-NGZCFLSTSA-N 320.349 -0.696 30 20 DBED CN(C)[C@@H](Cn1cccn1)C(=O)N1CCC(NCC#N)CC1 996668457 DCRBUSDKWLVWJL-AWEZNQCLSA-N 304.398 -0.083 30 20 DBED C=CCn1cc(C(=O)N2CC(NC(=O)[C@H]3CCO[C@H]3C)C2)nn1 998403506 IQISPVFQFPZJCE-JQWIXIFHSA-N 319.365 -0.170 30 20 DBED C[C@@H](C#N)C(=O)N1CC([C@H](C)NC(=O)c2cc(=O)n(C)cn2)C1 1006315409 ONBCZADVHGFTIE-UWVGGRQHSA-N 317.349 -0.483 30 20 DBED N#Cc1ccc(C(=O)N2C[C@H]3C(NC(=O)Cn4cccn4)[C@@H]3C2)[nH]1 1012773377 HRVDUUFBOMSPGM-VXGBXAGGSA-N 324.344 -0.030 30 20 DBED N#Cc1ccc(CN2CC[C@@H](NC(=O)Cn3ncnn3)C2)cc1 1014427132 HQBSPWBGMQNFGM-CQSZACIVSA-N 311.349 -0.065 30 20 DBED C=CCn1cc(C(=O)N[C@H]2C[C@H](NCCn3cncn3)C2)nn1 1020700007 DKGMTLVBVASOOD-HAQNSBGRSA-N 316.369 -0.394 30 20 DBED C#CCN1CCC[C@H](CNC(=O)c2cn(C)c(=O)nc2O)C1 1023742075 BODAVDZGKHOQNO-LLVKDONJSA-N 304.350 -0.439 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc[nH]c2)C1 1024105384 SCDXKGXTHVEYDU-SYQHCUMBSA-N 319.361 -0.093 30 20 DBED C#CCN1CCC[C@@H]1CNC(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1 1028136086 HHAUEVSZYYCQSA-MCIONIFRSA-N 307.394 -0.164 30 20 DBED C#CCN1CCC(C(=O)NC[C@H]2CCCN2[C@@H](C)C(N)=O)CC1 1028333866 RWYITXDRFZCWHW-DZGCQCFKSA-N 320.437 -0.214 30 20 DBED N#Cc1ccc(CN2CC(NC(=O)[C@@H]3COC(=O)N3)C2)cc1 1030269210 MHZGOFAMLWEFKB-ZDUSSCGKSA-N 300.318 -0.033 30 20 DBED C=C(C)CN1CC(CNC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 1031871166 QDEIQXZFRJYTAB-ZDUSSCGKSA-N 303.366 -0.010 30 20 DBED C=CCN1CC[C@@H](N2C[C@@H]3C[C@H]2CN3C(=O)c2cnn[nH]2)C1=O 1032494669 VRJXBYMDBYTSEY-GMXVVIOVSA-N 316.365 -0.510 30 20 DBED C=C(C)CCN1CC[C@@H](N(C)C(=O)c2cn(CC(N)=O)nn2)C1 1033684101 CWAUEDCWXCACJM-GFCCVEGCSA-N 320.397 -0.124 30 20 DBED C#CCCN1CCCC[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)C1 1034506054 FSLDJFUVSRKZEH-CQSZACIVSA-N 319.409 -0.116 30 20 DBED CC#CCN1CCO[C@@H](CNC(=O)[C@H]2CCCN(C(N)=O)C2)C1 1035434786 IULBIEHROCHHLZ-KBPBESRZSA-N 322.409 -0.383 30 20 DBED C#CCN[C@@H]1CCN(C(=O)CN2CC(=O)N(C)C2=O)C[C@H]1CC 1037965711 KVWPAJHWXJJUJL-CHWSQXEVSA-N 320.393 -0.270 30 20 DBED C=CCN1CC[C@H](N2CC[C@@H]2CNC(=O)c2cnn[nH]2)C1=O 1038446675 CCKTWFGPBHBPAG-PWSUYJOCSA-N 304.354 -0.604 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(O)(CNC(=O)c2ccccn2)C1 1041167804 XSICGKCICQXQDL-HNNXBMFYSA-N 319.361 -0.288 30 20 DBED C[C@@H]1C[C@H]1C(=O)NCC1(O)CN(C(=O)c2c[nH]c(C#N)c2)C1 1041286866 VDFPZBHRYDTMJC-BXKDBHETSA-N 302.334 -0.155 30 20 DBED C=C[C@](C)(CC)C(=O)N1CC(O)(CNC(=O)[C@H]2CCC(=O)N2)C1 1042070861 CDMSDJLTIHZZBR-IAQYHMDHSA-N 323.393 -0.443 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)C2CC=CC2)C1 1042254846 DXTWHZMFJXYVNB-UHFFFAOYSA-N 306.362 -0.318 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)c2coc(C)c2)C1 1042771840 LNWCBCDIBDABJO-GFCCVEGCSA-N 320.345 -0.071 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)Cc2ncc[nH]2)C1 1042800008 ZDDDIELJMGWGAE-UHFFFAOYSA-N 304.350 -0.555 30 20 DBED C[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)C[C@H]1Nc1ccc(C#N)cn1 1043474801 RNCLULDTEULXKN-YUSALJHKSA-N 314.349 -0.107 30 20 DBED CC#CCCCC(=O)N1CC(O)(CNC(=O)c2cncn2C)C1 1043755265 LIGZGOAOKCERNJ-UHFFFAOYSA-N 318.377 -0.083 30 20 DBED Cc1nc(C(=O)N[C@@H]2CN(c3nccnc3C#N)C[C@@H]2O)co1 1043914425 ODQNSRCECWGGQI-PWSUYJOCSA-N 314.305 -0.376 30 20 DBED C#CCN1CC(N(C)C(=O)c2cn(C[C@@H]3CCOC3)nn2)C1 1044106982 BKANUJSCZWVWEG-LBPRGKRZSA-N 303.366 -0.296 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)[C@@H]2CCC(=O)NC2)C1 1044463454 FHADWOJYOONLSG-LLVKDONJSA-N 323.393 -0.586 30 20 DBED C[C@@H]1CC[C@H](C(=O)N[C@@H]2CN(c3cnc(C#N)cn3)C[C@@H]2O)O1 1044580479 DEAPHBWXWZSQIY-FOUMNBMASA-N 317.349 -0.419 30 20 DBED C=C[C@H](C)[C@@H](C)C(=O)NCC1(O)CN(C(=O)Cc2nc[nH]n2)C1 1044981159 SXOHILUBVLBLFF-WDEREUQCSA-N 321.381 -0.505 30 20 DBED C=CCN1CC[C@H](N2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)C1 1046063652 TVEBITNKCNWOCF-MJBXVCDLSA-N 306.410 -0.488 30 20 DBED CN1CC[C@H](C(=O)N[C@@]2(C)CCN(CC#N)C2)S1(=O)=O 1046700266 ZMGZADYLXJXLAV-PWSUYJOCSA-N 300.384 -0.876 30 20 DBED CN(C(=O)c1ccn(CC(F)F)n1)[C@H]1CN(CC#N)C[C@@H]1O 1047418959 BRYLCRRQDCXYAT-QWRGUYRKSA-N 313.308 -0.211 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCCC(=O)N2)C1 1047525821 ZYVMETPJRDHWRN-IHRRRGAJSA-N 307.394 -0.428 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(OC)nn2)C1 1047587963 PEOPDWGXRSVGGE-STQMWFEESA-N 304.350 -0.374 30 20 DBED C#CCN1C[C@H]2CN(C(=O)CCN3C(=O)CCC3=O)C[C@H]2C1 1048925689 WMVYZWCKOLGHGP-BETUJISGSA-N 303.362 -0.451 30 20 DBED C#CCN1C[C@H]2CN(C(=O)c3cn([C@@H]4CCOC4)nn3)C[C@H]2C1 1049159667 OYBNKVDLZVSDET-HZSPNIEDSA-N 315.377 -0.124 30 20 DBED CC#CCN1CC[C@H]2[C@H]1CCCN2C(=O)CN1CC(=O)NC1=O 1049789950 IUFZTLQTSPKNGG-OLZOCXBDSA-N 318.377 -0.373 30 20 DBED C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)CN1C(=O)CN(C)C1=O 1049883008 GMMMIXLWBDRTHI-OLZOCXBDSA-N 318.377 -0.421 30 20 DBED CC(C)C#CC(=O)N[C@H](C)[C@H]1CCN(C(=O)c2nnn(C)n2)C1 1051341256 GMKDVGKVZCKBCJ-NEPJUHHUSA-N 318.381 -0.164 30 20 DBED C=CCn1cc(C(=O)N2C[C@H](C)[C@H](CNC(=O)COC)C2)nn1 1052620352 YPCVZUAVQHMSLG-NWDGAFQWSA-N 321.381 -0.065 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)[C@@H]1C[C@@H]1C(=O)OC)CCO2 1053186418 YXLORQUPLXCBDS-OLZOCXBDSA-N 306.362 -0.268 30 20 DBED O=C1NCC[C@H]1N1CC2(CN(C(=O)C#CC3CC3)CCO2)C1 1053249972 HUHAKXDONKADOX-CYBMUJFWSA-N 303.362 -0.799 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)C[C@H]1CCC(=O)N1C)CCO2 1053370036 SCGSFJAJRXRBNR-CQSZACIVSA-N 319.405 -0.066 30 20 DBED CSCC(=O)NCCN(CCO)C(=O)CSCC#N 1057026693 IDHOMAKTUABGCU-UHFFFAOYSA-N 305.425 -0.457 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)[C@H]1CN(C)C[C@@H]1C 1057524910 WKBHBLVJVBUNTQ-GJZGRUSLSA-N 323.437 -0.219 30 20 DBED C#CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)Cc1ccc[nH]1 1057792788 GOQLXIOVNDHNSV-ZDUSSCGKSA-N 321.377 -0.467 30 20 DBED N#Cc1ccc(N2CCC(NC(=O)Cn3cnnn3)CC2)nn1 1057840428 CDISHKISXJUVDZ-UHFFFAOYSA-N 313.325 -0.880 30 20 DBED Cc1cc(=O)c(C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N)c[nH]1 1058700512 HHRDHKJUVXKZNQ-JTQLQIEISA-N 320.349 -0.606 30 20 DBED N#Cc1ccc(N[C@H]2C[C@@H](NC(=O)[C@H]3CC[C@H]3C(N)=O)C2)nn1 1059784329 NRPBXUBMGMWYGJ-KXNHARMFSA-N 314.349 -0.081 30 20 DBED Cn1cnc(C(=O)N2CC[C@@H](CN=c3cc[nH]c(C#N)n3)C2)n1 1060867615 ZNLQQBZIWOEHTA-JTQLQIEISA-N 312.337 -0.527 30 20 DBED N#Cc1nccc(N2CC[C@H](CNC(=O)[C@H]3COCCO3)C2)n1 1061526078 VNYGPKLDVNLDFY-VXGBXAGGSA-N 317.349 -0.294 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)CCn1cncn1 1061847528 SXLGOXMBMAXCOW-RYUDHWBXSA-N 320.353 -0.829 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)c1ccc(O)nc1 1061852886 NTNUMQJIVIBISZ-PWSUYJOCSA-N 318.333 -0.096 30 20 DBED N#Cc1ccc(N2[C@H]3CC[C@H]2CN(C(=O)Cn2cnnn2)C3)nc1 1061909600 QTLSZTMDTXQWEJ-STQMWFEESA-N 324.348 -0.180 30 20 DBED N#Cc1nccc(N2CC[C@H]3CC[C@@H](C2)N3C(=O)C(N)=O)n1 1064486042 TWSDHBPBBYRWDI-ZJUUUORDSA-N 300.322 -0.597 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CN(C(=O)c2cnsn2)CCO1 1064909626 PKBXVGPAPBQSSQ-BDAKNGLRSA-N 309.351 -0.345 30 20 DBED C=CCCC(=O)N1CCO[C@H](CNC(=O)[C@H]2CC(=O)N(C)C2)C1 1064957193 DABDRCIJOJFAFQ-QWHCGFSZSA-N 323.393 -0.226 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(C(=O)c2cnn[nH]2)CCO1 1065326611 PUQWRGMUBKRZLC-LLVKDONJSA-N 303.322 -0.825 30 20 DBED C#CCC1(C(=O)NC[C@@H]2CN(C(=O)C(N)=O)CCO2)CCC1 1065549931 AISCBIQDHDCKJL-LLVKDONJSA-N 307.350 -0.991 30 20 DBED CCN(CC)CC(=O)NC[C@H]1CN(C(=O)[C@H](C)C#N)CCO1 1065555972 CKFVTMMMLWYDHH-OLZOCXBDSA-N 310.398 -0.169 30 20 DBED CC(=O)N[C@H](C)C(=O)N1CCOC2(CN(C(=O)[C@H](C)C#N)C2)C1 1068287977 JHQDVPXCPDKVHA-GHMZBOCLSA-N 322.365 -0.890 30 20 DBED C=CCCC(=O)N1CCOC2(C1)CN(C(=O)Cn1cnnn1)C2 1068345036 XDPNOVMIXOYFPU-UHFFFAOYSA-N 320.353 -0.921 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](NC(=O)c2ccc[nH]2)[C@H](C)C1 1071933232 SVCCKYMVODHMHJ-DGCLKSJQSA-N 316.361 -0.269 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)c2ccnc3[nH]nnc23)C1 1073689858 FCOOKDSLKIPZCS-LLVKDONJSA-N 314.349 -0.193 30 20 DBED C=C(C)CCN1CCCO[C@@H](CNC(=O)c2nnn(C)n2)C1 1073734235 PZJHJVNODASBDX-LBPRGKRZSA-N 308.386 -0.003 30 20 DBED C#CCOCCC(=O)N[C@H]1CCN(C(=O)c2nc[nH]n2)C[C@H]1C 1073959915 IZICZMRHOKFVAW-NEPJUHHUSA-N 319.365 -0.189 30 20 DBED N#CCN1CCO[C@H]2CCN(C(=O)c3cc4n(n3)CCO4)C[C@@H]21 1074266883 SQURPBNDXHOYHF-STQMWFEESA-N 317.349 -0.286 30 20 DBED N#CCN1CCO[C@@H]2CCN(C(=O)c3cncnc3O)C[C@@H]21 1074277011 WJEKFVANDXKLCS-NWDGAFQWSA-N 303.322 -0.379 30 20 DBED Cn1cc(C(=O)N2CC[C@@H]3OCCN(CC#N)[C@@H]3C2)ncc1=O 1074302119 LLPNBAFUKBYYFZ-OLZOCXBDSA-N 317.349 -0.781 30 20 DBED C=C(C)CN1CCO[C@@H]2CCN(C(=O)c3nnn(C)n3)C[C@H]21 1074317581 SAKVHBPUBKJZPH-VXGBXAGGSA-N 306.370 -0.299 30 20 DBED N#CCSCC(=O)N1CCC(O)(CNC(=O)C(F)F)CC1 1074485522 BCRMIIAGBVAKQH-UHFFFAOYSA-N 321.349 -0.022 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)[C@@]1(C)CCOC1 1076218765 FFQUWNMEIYUPID-LRDDRELGSA-N 323.393 -0.437 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CN(Cc3csnn3)C[C@H]2O)c[nH]1 1076907260 HYKPSFZJBPLVCU-VXGBXAGGSA-N 318.362 -0.287 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCS(=O)(=O)C2)C1 1077330549 MITHHPDVYYIDFX-JHJVBQTASA-N 316.423 -0.451 30 20 DBED C[C@@H](CCNC(=O)[C@H](C)C#N)NC(=O)CS(=O)(=O)N(C)C 1078132198 MIOIOMMHEFJBTL-ZJUUUORDSA-N 318.399 -0.952 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)c2cn(C)c(=O)n2C)C1 1078240894 NLHVDVPJNDORIP-MWLCHTKSSA-N 314.773 -0.749 30 20 DBED CCN(C(=O)C[C@@H]1CCNC1=O)C1CN(C(=O)[C@@H](C)C#N)C1 1079897383 VIJSJDOILCXVLP-QWRGUYRKSA-N 306.366 -0.268 30 20 DBED COCC(=O)N1CCC(CO)(NC(=O)c2ccc(C#N)[nH]2)CC1 1080820744 UVFFSGSBUKGZCR-UHFFFAOYSA-N 320.349 -0.384 30 20 DBED C[C@@H](C#N)C(=O)NC1(CO)CCN(C(=O)c2cocn2)CC1 1080980346 QXKHMJASLXLLRW-JTQLQIEISA-N 306.322 -0.082 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@@H]1O 1081464030 VCYUSQWUESCMGY-YPMHNXCESA-N 319.365 -0.976 30 20 DBED CO[C@@H]1CN(Cc2cnon2)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 1081507342 QDOFELGGCPXJTJ-CHWSQXEVSA-N 316.321 -0.101 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cncn2C)C1 1081582482 INFXANNNCBDIDC-GXTWGEPZSA-N 318.377 -0.371 30 20 DBED C=CCCCC(=O)NC[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1O 1081704381 CHVLLVVIFHBCFZ-GHMZBOCLSA-N 307.354 -0.290 30 20 DBED CC(C)C#CC(=O)N1C[C@H](CNC(=O)c2ccnnc2)[C@@H](O)C1 1081798181 WJOPCAKBLIZRRI-KBPBESRZSA-N 316.361 -0.315 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1conc1COC 1083245200 DNBRNPHUZYKBPG-UONOGXRCSA-N 305.334 -0.021 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)c2ccc(NC(C)=O)cn2)C1 1083510389 CGSFCZCBVDSLBY-CABCVRRESA-N 316.361 -0.162 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2cccnc2-n2cccn2)C1 1083688593 ZLBLWSFDKXEFLB-KGLIPLIRSA-N 311.345 -0.325 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](NC(=O)c2ccn3nnnc3c2)C1 1083695667 MFMLGZLXKZREKE-OLZOCXBDSA-N 316.365 -0.135 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)Cc2c(C)nn(CC)c2C)C1 1083963179 JZLIVIFNYFVUEB-CABCVRRESA-N 304.394 -0.143 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CN(c2ccc3nccnc3n2)C[C@H]1O 1090392091 OJVLVOQMCSBFRR-MVWJERBFSA-N 312.333 -0.150 30 20 DBED Cc1cn2ccnc(C(=O)N[C@H]3CCN(CC#N)C[C@@H]3O)c2n1 1090706938 MFFOBQACYHXENO-RYUDHWBXSA-N 314.349 -0.274 30 20 DBED C[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1NC(=O)CCCC(N)=O 1090730853 IAVYKUFEZZZDMC-GHMZBOCLSA-N 316.365 -0.055 30 20 DBED C=CCCN1CC[C@H](NC(=O)Cn2ccccc2=O)[C@@H](O)C1 1090797795 GJESJOFXRGTNFM-KBPBESRZSA-N 305.378 -0.024 30 20 DBED COC[C@H](C)CC(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1091137725 SMPXGGQJUBTWEN-RTXFEEFZSA-N 319.365 -0.313 30 20 DBED N#Cc1cnc(N[C@@H]2CC[C@H](CNC(=O)CNC(N)=O)C2)cn1 1091534805 OADNMXHQEMYCDV-VHSXEESVSA-N 317.353 -0.287 30 20 DBED Cn1nnnc1CN1C[C@@H]2CN(C(=O)C#CC3CC3)C[C@]2(C)C1 1091660388 JALRSYNGIBCVIP-CJNGLKHVSA-N 314.393 -0.096 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CCN(c2ccc(C#N)nc2)C[C@@H]1O 1092147981 LRRPZHMKQPITCI-OLZOCXBDSA-N 317.349 -0.855 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@H]2CN(c3nc(C)ns3)C[C@H]12 1093266939 SKGPDVSVPHLMIG-UWVGGRQHSA-N 319.390 -0.463 30 20 DBED N#Cc1ccc(NCCNC(=O)CN2C(=O)CCC2=O)nn1 1093626034 VKYPOQLFMBLWOW-UHFFFAOYSA-N 302.294 -0.975 30 20 DBED N#Cc1nccnc1NCCNC(=O)c1ccc2nnnn2c1 1093986410 NNPICWDUNLWQJI-UHFFFAOYSA-N 309.293 -0.372 30 20 DBED C#CCN1CC[C@@]2(CNC(=O)c3nnc(O)nc3O)CCC[C@@H]12 1094460482 CJDOQUITTMWVEY-MEBBXXQBSA-N 317.349 -0.110 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)c3ccnnc3)CC2=O)C1 1094790686 OQVLILWUHBBKLJ-GFCCVEGCSA-N 301.350 -0.323 30 20 DBED CC(=O)N(C)CC(=O)N1CC[C@H](N(C)c2ccnc(C#N)n2)C1 1095108981 MBMKGXVBFACODM-LBPRGKRZSA-N 316.365 -0.136 30 20 DBED N#Cc1cncc(N2CCCN(C(=O)CCNC(N)=O)CC2)n1 1095180868 IKVMRGABFSGUQN-UHFFFAOYSA-N 317.353 -0.555 30 20 DBED CN(CCCNC(=O)Cn1cnnn1)c1ncc(C#N)cc1F 1095485099 CJTDJDTUXNYQKU-UHFFFAOYSA-N 318.316 -0.278 30 20 DBED CN1C[C@H](C(=O)NCCCN(C)c2ccc(C#N)nc2)NC1=O 1095696656 JEVCBQDWRDOPMR-CYBMUJFWSA-N 316.365 -0.081 30 20 DBED CCN(CCCNC(=O)CNC(C)=O)c1ccnc(C#N)n1 1095817803 YRFDCDZYNWMQIZ-UHFFFAOYSA-N 304.354 -0.183 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1C[C@H](N=c2cc[nH]cc2C#N)C1 1097015187 VJQLFHLEOQXADR-JOCQHMNTSA-N 311.345 -0.426 30 20 DBED C[C@@H](CNC(=O)C[C@H]1CC(=O)NC1=O)Nc1nccnc1C#N 1097944328 VWWPHQTUPHAMPM-IUCAKERBSA-N 316.321 -0.682 30 20 DBED C[C@@H](CNC(=O)[C@]1(C)CNC(=O)C1)Nc1cnc(C#N)cn1 1098153764 XUEHKQUWAJJFOW-XPTSAGLGSA-N 302.338 -0.209 30 20 DBED C#CCN(CCO)C1CCN(C(=O)[C@@H](CCC)NC(N)=O)CC1 1098547595 CGYNXLDTRKYRQY-CQSZACIVSA-N 324.425 -0.258 30 20 DBED CCC(=O)N[C@@H]1CCN(CC(=O)N(CC)CCC#N)C[C@H]1O 1099613887 OIZUBFUWIPVFBK-CHWSQXEVSA-N 310.398 -0.290 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)CCSC)[C@@H](O)C1 1099656849 LEZLDBBOUVFUGF-NEPJUHHUSA-N 313.423 -0.960 30 20 DBED C=C(Br)CN1CC[C@H](NC(=O)CC(N)=O)[C@H](O)C1 1099743187 FXZZGOHMEQXGGE-DTWKUNHWSA-N 320.187 -0.678 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2ccnc(O)c2)[C@@H](O)C1 1099765710 AKQNYYSCBBEUNW-KBPBESRZSA-N 319.361 -0.398 30 20 DBED C#CCO[C@H](C)C(=O)NCC1CC(NCc2nnn(C)n2)C1 1100322973 ZRCASUDABIKFOG-VOMCLLRMSA-N 306.370 -0.767 30 20 DBED C#CCNC1CC(CNC(=O)CN2C(=O)CC(C)(C)C2=O)C1 1100336413 WHAIDPSDFBMRKC-UHFFFAOYSA-N 305.378 -0.111 30 20 DBED CCN(CCNC(=O)[C@@H]1CNC(=O)N1)c1ncccc1C#N 1100699038 WQHQPDVHZZMEPA-NSHDSACASA-N 302.338 -0.423 30 20 DBED COCC#CCN1C[C@@H]2CN(C(=O)Cn3ncnn3)C[C@]2(C)C1 1101240965 KFXHAKOWXTUHKB-HIFRSBDPSA-N 318.381 -0.897 30 20 DBED N#Cc1cnc(N(CCNC(=O)[C@@H]2CCC(=O)N2)C2CC2)cn1 1101368498 XEDCKKWRBKEQLZ-LBPRGKRZSA-N 314.349 -0.288 30 20 DBED C[C@@H]1CN(CCN2C(=O)CNC2=O)C[C@H]1CNC(=O)[C@H](C)C#N 1101827996 UMARNWIVJYHAIL-IJLUTSLNSA-N 321.381 -0.618 30 20 DBED CN(C[C@@H]1CCN(C(=O)CNC(N)=O)C1)c1nccnc1C#N 1102428189 UFGCTILWBBKGLE-JTQLQIEISA-N 317.353 -0.699 30 20 DBED C#CCN1C[C@@H](C)[C@H](CCNC(=O)c2cnc(O)n(C)c2=O)C1 1103303608 VFZIUDHDOBXEAP-VXGBXAGGSA-N 318.377 -0.193 30 20 DBED COCC#CCN1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCNC2=O)C1 1103316291 AAQIYMLZLGROHD-KFWWJZLASA-N 321.421 -0.154 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CN(C)CCO1)CNc1cnc(C#N)cn1 1103889901 KIIATJVXLFRPHM-YPMHNXCESA-N 318.381 -0.157 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)Cc1cncnc1 1103940958 FEXYDDAFKMYTFL-LLVKDONJSA-N 311.349 -0.033 30 20 DBED C[C@H](CN=c1cc[nH]cc1C#N)N(C)C(=O)[C@H]1COC(=O)N1 1104546199 ZLRRUOWSSNOTLL-BXKDBHETSA-N 303.322 -0.258 30 20 DBED C[C@H](CNc1cncc(C#N)n1)N(C)C(=O)CCNC(N)=O 1104565259 POOOBYLQGKNTBS-SECBINFHSA-N 305.342 -0.335 30 20 DBED C#CCNCc1cn(C2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)nn1 1105235903 ZHGUKCPHKJWJLX-VXGBXAGGSA-N 304.310 -0.951 30 20 DBED Cc1ncc(C(=O)NC[C@@H](O)CNc2nccnc2C#N)[nH]1 1105750178 HYCIYRZLHITOAM-VIFPVBQESA-N 301.310 -0.417 30 20 DBED CNC(=O)C1(C(=O)NC[C@@H](O)CNc2ccc(C#N)nc2)CC1 1105895249 GKENNKHAEMUELP-LBPRGKRZSA-N 317.349 -0.632 30 20 DBED Cc1cncn1CC(=O)NC[C@@H](O)CNc1nccnc1C#N 1106026840 TWQIIHWXPDAPBQ-LLVKDONJSA-N 315.337 -0.558 30 20 DBED COC(=O)NCC(=O)NC/C=C\CNc1cnc(C#N)cn1 1107058146 WTOFEHAAOPBZQT-IHWYPQMZSA-N 304.310 -0.211 30 20 DBED N#Cc1nc(=NC/C=C/CNC(=O)CCCC(N)=O)cc[nH]1 1107239173 HBJOYVQXUFCBFZ-OWOJBTEDSA-N 302.338 -0.490 30 20 DBED C[C@H](C#N)C(=O)NC[C@@]1(C)CN(CC(=O)N2CCC2)CCO1 1107819702 TYSXMISKFSIZFV-DOMZBBRYSA-N 308.382 -0.415 30 20 DBED CC(C)OCC(=O)N1CCN(CC#N)[C@H]2CS(=O)(=O)C[C@H]21 1108460730 KFEHXRVBVJPMPP-NWDGAFQWSA-N 315.395 -0.755 30 20 DBED CCC(=O)N[C@H](C)C(=O)N[C@@H](C)CN=c1cc[nH]c(C#N)n1 1108745299 BIWCPLSDIWHOJY-VHSXEESVSA-N 304.354 -0.399 30 20 DBED COCCOCC(=O)N[C@H]1[C@H]2C[C@H]1N(c1ccnc(C#N)n1)C2 1109694623 CMBDWQYFBWARCC-RWSFTLGLSA-N 317.349 -0.295 30 20 DBED CCc1nc(C#N)cc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)CC(N)=O)n1 1109697571 LCOJAPSNIVTXHN-OWCSCZDJSA-N 314.349 -0.521 30 20 DBED CC(=O)N(C)CC(=O)N(CCO)CCN=c1cc[nH]cc1C#N 1111442070 XWTLNMYPOOSEIF-UHFFFAOYSA-N 319.365 -0.914 30 20 DBED CC(C)[C@@H](O)C(=O)N(CCO)CCN=c1cc[nH]cc1C#N 1111461716 LGCITACYSVMWPV-CQSZACIVSA-N 306.366 -0.375 30 20 DBED C#CCCN1CCC2(CC1)CN(C(=O)CNC(N)=O)C[C@@H](C)O2 1111536082 ZHNMUTWMQHNCBU-CYBMUJFWSA-N 322.409 -0.240 30 20 DBED N#Cc1nc(=NCCN(CCO)C(=O)[C@@]23COC[C@@H]2C3)cc[nH]1 1111577424 BKYATLBLBRPKMH-NHYWBVRUSA-N 317.349 -0.961 30 20 DBED CNC(=O)NCC(=O)N(C)CCCN(C)c1ccnc(C#N)n1 1112191608 JAFAONGYRNOTPR-UHFFFAOYSA-N 319.369 -0.438 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CCN(c2ccnc(C#N)n2)C[C@@H]1C 1112387078 AAVVXYWVFSUKFI-CMPLNLGQSA-N 316.365 -0.185 30 20 DBED N#Cc1cncc(N2C[C@H](O)[C@H](CNC(=O)C#CC3CC3)C2)n1 1112721276 XNIKLQYZBYNRQY-OCCSQVGLSA-N 311.345 -0.325 30 20 DBED COCC#CCN1CCN(C(=O)[C@H]2C[C@@H](C)CC(=O)N2)CC1 1112862531 PDDPUSBKVVFAIS-ZIAGYGMSSA-N 307.394 -0.305 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)c2cnnc(O)c2)CC1 1112989861 LNOVZARWZPFXSW-UHFFFAOYSA-N 305.338 -0.758 30 20 DBED Cc1cc(=N[C@H](C)[C@@H](C)NC(=O)c2nnn(C)n2)c(C#N)c[nH]1 1113258908 MJYANNSODRPTLL-NXEZZACHSA-N 314.353 -0.174 30 20 DBED Cc1ccc(C#N)c(N(C)[C@@H](C)CNC(=O)Cn2cnnn2)n1 1113487657 QTAHAJJDNFICJD-NSHDSACASA-N 314.353 -0.111 30 20 DBED N#CCNC(=O)CN1C[C@H]2C(NC(=O)CC(F)(F)F)[C@@H]2C1 1113980115 XCNJUEFXWGQPBI-HTQZYQBOSA-N 304.272 -0.375 30 20 DBED N#CCNC(=O)CN1C[C@@H]2C(NC(=O)[C@@]34CCC[C@@H]3C4)[C@H]2C1 1114588947 BPKWIUBNFXODSO-KZTGVZKYSA-N 302.378 -0.137 30 20 DBED C#CCN1C[C@H]2C(NC(=O)[C@@H](NS(C)(=O)=O)C(C)C)[C@@H]2C1 1114943068 RBTWGMURUMHKRJ-UTUOFQBUSA-N 313.423 -0.760 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CCC[C@H](C2OCCO2)C1 1117545021 UIWSPAUIFUXZTI-NWDGAFQWSA-N 312.366 -0.085 30 20 DBED CC#CCCNC(=O)C(=O)NCc1nc(C(F)(F)F)n[nH]1 1117595624 PNZUWEYRSZRAID-UHFFFAOYSA-N 303.244 -0.031 30 20 DBED Cc1cc(=N[C@@H](CO)CNC(=O)c2cc(C)[nH]n2)c(C#N)c[nH]1 1121120047 NBCPTCRKAFYLQD-GFCCVEGCSA-N 314.349 -0.082 30 20 DBED C[C@@H](C(=O)NC[C@H](CO)Nc1nccnc1C#N)n1cncn1 1121345945 JFDIVOCSHXCAGQ-VHSXEESVSA-N 316.325 -0.910 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H](CO)CNC(=O)CC1OCCCO1 1121360397 UREMITBAQALWNA-GFCCVEGCSA-N 320.349 -0.583 30 20 DBED N#Cc1cccnc1N[C@H](CO)CNC(=O)Cn1nccn1 1122097938 HPAGUQMSCVAPGK-NSHDSACASA-N 301.310 -0.866 30 20 DBED N#Cc1cnc(N[C@H](CO)CNC(=O)[C@H]2CCNC2=O)c(F)c1 1122355565 MIDREWXHACOKDJ-UWVGGRQHSA-N 321.312 -0.883 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H](CO)CNC(=O)[C@@H]1[C@H]2COC[C@H]21 1122372224 NPTFNYCSOYZAMK-NMKXLXIOSA-N 302.334 -0.843 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]cc1C#N)C(=O)[C@@H]1CCCO1 1124066041 QQQSCIVFTORQPZ-OCCSQVGLSA-N 304.350 -0.215 30 20 DBED C=CCOCC(=O)N(C)C[C@@H](O)CNc1cncc(C#N)n1 1124196438 LXFKTEOXWHAOJS-LBPRGKRZSA-N 305.338 -0.218 30 20 DBED Cc1nonc1C(=O)N(C)C[C@@H](O)CNc1nccnc1C#N 1124398633 CDYGZTNTRNTSOP-VIFPVBQESA-N 317.309 -0.415 30 20 DBED C#CCNC(=O)CN1CCn2ncc(CNC(=O)C3CC3)c2C1 1128151311 WHGDAVMERUTPLR-UHFFFAOYSA-N 315.377 -0.526 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)c2cc(OC)n(C)n2)C1=O 1131127716 ZPVVXLHDPYDOAK-NSHDSACASA-N 321.381 -0.465 30 20 DBED C[C@@H](CC(=O)N1C[C@H]2C[C@@H]3CN(CC#N)C[C@]2(C1)O3)NC(N)=O 1131229914 CFGKARAZILWPPG-FUTJPDQTSA-N 321.381 -0.741 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1ncc2ccccn12 1131306405 VRDOKNNRODNGQA-LBPRGKRZSA-N 313.361 -0.208 30 20 DBED C[C@@H](CC(=O)NCCNCC(=O)NCC#N)c1cnn(C)c1 1131731565 CFUCSZLAWRXTSH-NSHDSACASA-N 306.370 -0.741 30 20 DBED COCC#CCNCCNC(=O)c1ccc(-n2cncn2)nc1 1132121016 GDDFDJWLGNILMD-UHFFFAOYSA-N 314.349 -0.369 30 20 DBED C[C@H]1CC[C@H](NC(=O)c2nc[nH]n2)CN1CC(=O)NCC#N 1132368187 KPNCZMUXGQIMFW-UWVGGRQHSA-N 305.342 -0.973 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)C[C@@H](C)NCCn1cccn1 1134130803 MQTVCAXJKHBVQE-KGLIPLIRSA-N 319.409 -0.105 30 20 DBED CCNC(=O)CC(=O)N[C@@H](C)C[C@@H](C)NCC(=O)NCC#N 1134142771 GRAZENGJXAKUCX-MNOVXSKESA-N 311.386 -0.975 30 20 DBED Cc1nc(O)[nH]c1C(=O)N[C@@H](C)C[C@@H](C)NCC(=O)NCC#N 1134685876 WDNPJVYUKMNWJW-BDAKNGLRSA-N 322.369 -0.450 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@]1(C)CCN(C(C)=O)C1 1146994016 HYGIWWVIHNJGEQ-MLGOLLRUSA-N 324.425 -0.359 30 20 DBED COCC(=O)N[C@H](C(=O)N1CC2(CCN(CC#N)C2)C1)C(C)C 1148397340 WPGPUDRTWUSXDX-AWEZNQCLSA-N 322.409 -0.169 30 20 DBED C#CCNC(=O)CN1CCCO[C@H](CNC(=O)[C@@H](C)C#N)C1 1149406706 KAGHYWBEDDAJSI-QWHCGFSZSA-N 306.366 -0.897 30 20 DBED C=CCOCCN1CCCO[C@H](CNC(=O)c2cnn(C)n2)C1 1150434565 CMCNLVDWDGMJGH-CYBMUJFWSA-N 323.397 -0.162 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)CCN1CCCC1=O 1151385782 HKCHIKFACIDWRM-LBPRGKRZSA-N 310.398 -0.605 30 20 DBED C=CCCOCC(=O)NCCN[C@@H](C)C(=O)NC(=O)NCC 1153081137 MAOXPLXBKBSQFD-NSHDSACASA-N 314.386 -0.481 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@H](C)OC[C@H]1CCCO1 1153174926 FOMJBQQCRAPFPK-QWHCGFSZSA-N 311.382 -0.974 30 20 DBED C[C@H](C#N)C(=O)NCCCNC[C@@H]1CCN(S(C)(=O)=O)C1 1155841903 JGZKFMGTXMYQDU-NEPJUHHUSA-N 316.427 -0.477 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)[C@@H]1CCCNC1=O 1160441396 PYEWZVQFSIILLQ-VXGBXAGGSA-N 310.398 -0.701 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1n[nH]c2c1CCCC2 1161697818 PQUXIULTKMWJIF-UHFFFAOYSA-N 317.393 -0.253 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1cnn2c1OCCC2 1161825869 IBEGGIVIADYWDV-UHFFFAOYSA-N 319.365 -0.876 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)[C@]1(C)CCC(=O)NC1 1164441540 BKZXDEVGXMDRTD-MLGOLLRUSA-N 322.409 -0.864 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NCCCNCC(=O)NCC#N 1167685517 VNUNIWOQGOQWRQ-ZDUSSCGKSA-N 323.397 -0.807 30 20 DBED C[C@H](CCCCNCC#N)NC(=O)c1cn(CC(N)=O)nn1 1176752950 BHIYWGJIFYIION-SNVBAGLBSA-N 307.358 -0.835 30 20 DBED C[C@H]1[C@@H](NCCS(C)(=O)=O)CCN1C(=O)CSCC#N 1178147887 LPVBCNHWEQQXID-QWRGUYRKSA-N 319.452 -0.133 30 20 DBED Cc1cc(C(=O)N2CC[C@H](NCC(=O)NCC#N)[C@@H]2C)ncn1 1178478055 WGXZWKKTSZYFLE-RYUDHWBXSA-N 316.365 -0.383 30 20 DBED C=CCCCN[C@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)[C@H]1C 1178736339 VTRMTBPQSGLHES-RYUDHWBXSA-N 320.397 -0.078 30 20 DBED COCCS(=O)(=O)CC(=O)N1CC[C@H](NCC#N)[C@@H]1C 1179019710 ZLDLWOUVKTUSQL-QWRGUYRKSA-N 303.384 -0.850 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)c2nnn(C(C)(C)C)n2)C1 1182719589 RXOPUHJXGMSZFV-GFCCVEGCSA-N 320.397 -0.118 30 20 DBED C=CCNC(=O)NC(=O)CN1C[C@@H]2CCN(C(=O)COC)[C@@H]2C1 1186605751 SYVLSRVUXGYMEB-NWDGAFQWSA-N 324.381 -0.823 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)C(=O)NCC2CC2)C1 1186652554 MEDSJSCUJFEOHF-GFCCVEGCSA-N 308.382 -0.995 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@@H](NC[C@H](O)COC)C2)cn1 1187213940 UBHQFYQXIQVNCX-CABCVRRESA-N 303.362 -0.126 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CN(CC(=O)NCC#N)C[C@H]21 1187881837 DYPWOASIFFXFOQ-MELADBBJSA-N 318.377 -0.803 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)CCc2cnn(C)c2)C1 1188080347 VKTQLDKJYMVDHU-CQSZACIVSA-N 319.409 -0.155 30 20 DBED C=CCCC(=O)N[C@@H]1CN(CCCS(C)(=O)=O)C[C@H]1O 1191644940 BKTPIXATFOGAHN-VXGBXAGGSA-N 304.412 -0.451 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CN(Cc2ncc(Cl)n2C)C[C@H]1O 1191865650 ZGXBYXLINQDLJO-OPRDCNLKSA-N 311.773 -0.106 30 20 DBED CCS(=O)(=O)N(C)CC(=O)N1CC[C@H](N(C)CC#N)C1 1193204815 KZMQRKRVSKKIAJ-NSHDSACASA-N 302.400 -0.676 30 20 DBED COCC#CCN1CCCN(C(=O)[C@H]2OCCO[C@H]2C)CC1 1196191810 NGZPWWXSWQITHU-GJZGRUSLSA-N 310.394 -0.026 30 20 DBED C[C@H](C#N)C(=O)N1CCCO[C@H](CNCCNC(=O)C2CC2)C1 1200116505 XKBNXPVEWPIFQH-TZMCWYRMSA-N 322.409 -0.121 30 20 DBED C#CCCCC(=O)N1CCCO[C@@H](CNCC(=O)NC(N)=O)C1 1200403901 CTBCNSWWRJMMFC-LBPRGKRZSA-N 324.381 -0.808 30 20 DBED CC#CCNC[C@H]1CN(C(=O)Cc2n[nH]c(C)n2)CCCO1 1200451944 ABDFMSONEROWCJ-ZDUSSCGKSA-N 305.382 -0.114 30 20 DBED C[C@H]1C[C@@H]1C(=O)N1CCCO[C@@H](CNCC(=O)NCC#N)C1 1201154611 HHKIKDUXAUOKQN-AVGNSLFASA-N 308.382 -0.511 30 20 DBED CCN1CCO[C@@H](C(=O)N2CCCO[C@H](CNCC#N)C2)C1 1202115855 OJGBDERRAHSDQY-ZIAGYGMSSA-N 310.398 -0.562 30 20 DBED C#CCNC[C@@H]1CN(C(=O)c2cn(C)c(=O)n2C)CCCO1 1202172599 CSYRHEBAAFZFFS-GFCCVEGCSA-N 306.366 -0.822 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CCN(C(=O)c2cnon2)CC1 1203022393 LVRKRAKEPIQPEN-SNVBAGLBSA-N 305.338 -0.598 30 20 DBED C=CCNC(=O)CNCC1CCN(C(=O)C2(C(N)=O)CC2)CC1 1206094158 YGWZJFBWQHPLJJ-UHFFFAOYSA-N 322.409 -0.618 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)Cn2ccnc2)CC1 1206970832 LPQCQNZTGFAWCS-UHFFFAOYSA-N 317.393 -0.539 30 20 DBED C[C@H](C(=O)N1CCC[C@@H](NCC(=O)NCC#N)C1)n1cccn1 1207420782 SBFFFLYAZXMTGZ-CHWSQXEVSA-N 318.381 -0.336 30 20 DBED CN1CCCC[C@@H]1C(=O)N1CCC[C@@H](NCC(=O)NCC#N)C1 1208424416 YLTMCOBRALQUQS-ZIAGYGMSSA-N 321.425 -0.309 30 20 DBED CO[C@@H]1CN(CCNC(=O)C2CC2)C[C@H]1NC(=O)[C@@H](C)C#N 1212045539 QLTPDQXWWKTJTK-CYZMBNFOSA-N 308.382 -0.512 30 20 DBED C=CCCC(=O)N1C[C@@H](NCCN2C(=O)CNC2=O)[C@H](C)C1 1214306178 XECWDQIJVQKLKH-VXGBXAGGSA-N 308.382 -0.059 30 20 DBED C[C@@H](C(N)=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)C#CC(C)(C)C 1217844015 PBHBOGNMDJPABN-RWMBFGLXSA-N 307.394 -0.179 30 20 DBED CCC(C)(C)NC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@H](C)C#N)C1 1219379161 NXNXEDBPKSBIAU-UTUOFQBUSA-N 310.398 -0.388 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)CCCS(C)(=O)=O)C1 1220538019 XTJAZPZXQZIXQO-NEPJUHHUSA-N 304.412 -0.451 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)COCCOCC)C1 1221103827 AIHLAKBUZNPGOX-KGLIPLIRSA-N 316.398 -0.597 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C[C@H](C)C2CC2)C1 1221107333 FSYKLQCJKIXFRO-YUTCNCBUSA-N 309.410 -0.114 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(Cc2nonc2C)C[C@@H]1O 1221139852 QGSAEIQXTLNIMR-OLZOCXBDSA-N 310.354 -0.368 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2cnn(C)c2)C[C@@H]1O 1221141174 LPCOAYLYBPCFIS-BNOWGMLFSA-N 308.382 -0.328 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)c2ccn(CC)n2)CC1 1229462756 SGBYXAWHGZPPIL-UHFFFAOYSA-N 317.393 -0.153 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)C[C@H]1CCOC1 1231340469 BWIDLBNQSQIZLU-KGLIPLIRSA-N 307.394 -0.305 30 20 DBED C#CC[C@H](NC(=O)[C@H]1COCCN1CC(F)(F)F)C(=O)O 1262178140 RGWMFKRSXHCVOT-DTWKUNHWSA-N 308.256 -0.158 30 20 DBED CC#CCCNC(=O)[C@@H]1[C@H](O)C(=O)N(C)[C@H]1c1cnn(C)c1 1263774417 XJIWMEHEHAIRQZ-AVGNSLFASA-N 304.350 -0.560 30 20 DBED C[C@H]1CN(C)C(=O)CN1C(=O)C(=O)NCc1ccc(C#N)cc1 1322410099 REZMJMBQCFMURW-NSHDSACASA-N 314.345 -0.136 30 20 DBED N#Cc1ncn(CCNC(=O)c2ccnc(-n3cncn3)c2)n1 1323967637 FXDRZUWIDZOXGR-UHFFFAOYSA-N 309.293 -0.445 30 20 DBED C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[C@H](C#N)C1)CN1CCOCC1 1325924300 JJQYKUGUJOOQJY-MELADBBJSA-N 322.409 -0.121 30 20 DBED CN(Cc1cscn1)C(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1326528995 DBWWXWYTIPCSES-ZDUSSCGKSA-N 308.363 -0.021 30 20 DBED COC[C@H](O)CCNC(=O)C(=O)Nc1cc(C)c(C#N)cn1 1332892194 ITGVQTFXPKEAHO-LLVKDONJSA-N 306.322 -0.286 30 20 DBED C#CCOCCn1nnnc1N1C[C@H](C)S(=O)(=O)[C@H](C)C1 1334944935 VASAOYCQXTUHTQ-PHIMTYICSA-N 313.383 -0.665 30 20 DBED C#CCN(C(=O)C(=O)N1CC[C@@H](S(=O)(=O)NC)C1)C(C)C 1335689889 OZKUYRXNUVKIEF-LLVKDONJSA-N 315.395 -0.993 30 20 DBED N#C[C@H](C(=O)CCCN1C(=O)CNC1=O)C(=O)N1CCCC1 1343271769 FHVWVHASXINMIJ-SNVBAGLBSA-N 306.322 -0.350 30 20 DBED C=CCC1(O)CCN(C(=O)C(=O)N[C@H](C)C[S@](C)=O)CC1 1353756479 XWMGDYMXWRWSTH-FIKIJFGZSA-N 316.423 -0.201 30 20 DBED N#Cc1ncn(CC(=O)N[C@H](C2CC2)C2(CO)CCOCC2)n1 1362869633 QUZDFLKZXVMNJC-CQSZACIVSA-N 319.365 -0.166 30 20 DBED COC(=O)[C@@](C)(CO)NS(=O)(=O)c1ccc(C#N)cc1F 1364007999 YXYPWSLLEBNSFT-GFCCVEGCSA-N 316.310 -0.100 30 20 DBED N#C[C@H]1CN(S(=O)(=O)N2CCN3C[C@@H](F)C[C@H]3C2)CCO1 1364127868 MUFMGAOGUBLTCI-SRVKXCTJSA-N 318.374 -0.816 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N[C@H]1CCc2nnnn2CC1 1364885728 GVUIDYGTIXUQDR-UWVGGRQHSA-N 313.387 -0.554 30 20 DBED C=C(Cl)CN[C@H](C)CCNC(=O)Cn1ncn(C)c1=O 1371777575 CWBKRSPMPJEATA-SNVBAGLBSA-N 301.778 -0.181 30 20 DBED CCCC[C@@H](NC(N)=O)C(=O)N(C)CCNC(=O)[C@H](C)C#N 1373648817 GPOTWLKELFKIEC-GHMZBOCLSA-N 311.386 -0.052 30 20 DBED COC[C@H](O)CNC[C@H](NC(=O)c1cc(C#N)c[nH]1)C1CC1 1375219718 QTTGEZIQOACTMZ-OCCSQVGLSA-N 306.366 -0.008 30 20 DBED C=C(Cl)CN1CC[C@](O)(CNC(=O)CCn2cncn2)C1 1380517412 MXJBITINIQEGBN-ZDUSSCGKSA-N 313.789 -0.026 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(C(N)=O)c2)C1 1385156218 QOTIQCOIXQISFX-PSASIEDQSA-N 303.322 -0.396 30 20 DBED CC[C@H](CNC(=O)CN(C)C(C)=O)NC(=O)c1ccc(C#N)[nH]1 1390236228 OBFVUSSDKNQNJJ-LLVKDONJSA-N 319.365 -0.011 30 20 DBED CCNC(=O)NC(=O)[C@@H](C)NCCN(CC)C(=O)[C@@H](C)C#N 1392443875 WHFCCBUFUCSUEO-WDEREUQCSA-N 311.386 -0.182 30 20 DBED C=C(Cl)CN1CCN(CCNC(=O)[C@H](C)NC(N)=O)CC1 1402116511 RWUXHUPEXXJKMO-NSHDSACASA-N 317.821 -0.471 30 20 DBED CCS(=O)(=O)CC(=O)N1CCN(C(=O)[C@H](C)C#N)CC1 1407053105 PQAXGCSZFIPENB-SNVBAGLBSA-N 301.368 -0.748 30 20 DBED C=C(Cl)CN(C)CCNC(=O)Cn1[nH]cc2c(=O)ncnc1-2 1437538049 XAEDOILVLUQPLI-UHFFFAOYSA-N 324.772 -0.128 30 20 DBED C[C@@H](C#N)C(=O)NCCN1CCN(CCn2cncn2)CC1 1441044800 KFBBRNSAEUWBPP-ZDUSSCGKSA-N 305.386 -0.828 30 20 DBED N#Cc1cn(CC(=O)NCc2cnn3ccccc23)c(=O)nc1O 1467903578 PTMYZFFCFUIUAD-UHFFFAOYSA-N 324.300 -0.215 30 20 DBED Cn1c(=O)[nH]c(N2CCC(Cn3ccnn3)CC2)c(C#N)c1=O 1472735376 YRZBXVORNRSMKN-UHFFFAOYSA-N 315.337 -0.547 30 20 DBED CCN(CCC#N)C(=O)CN1CC(NC(=O)c2[nH]nnc2C)C1 1494432202 HQNPSMJWCDGYEG-UHFFFAOYSA-N 319.369 -0.711 30 20 DBED CC[C@H](NC(C)=O)C(=O)NCCN(C)C(=O)c1ccc(C#N)[nH]1 1496600340 MTWQGWUSWZNXQI-LBPRGKRZSA-N 319.365 -0.011 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H](O)CNC(=O)[C@H]2CC2(F)F)c1 1501478770 AWMOSLZCFUQXAT-RKDXNWHRSA-N 312.276 -0.252 30 20 DBED COCCN(CCNC(=O)c1cc(C#N)c[nH]1)[C@H](C)C(N)=O 1508044045 TXRTWNXSCSTVRV-SNVBAGLBSA-N 307.354 -0.562 30 20 DBED C#CC1(O)CN(C(=O)Nc2ccc(C(=O)NCC(=O)O)cc2)C1 1588379478 IXEJTHAHKVYIBQ-UHFFFAOYSA-N 317.301 -0.287 30 20 DBED C=CC[C@H](C(=O)O)N1CCS(=O)(=O)C[C@H]1CC(=O)OC 1588732201 WGAJXSGNFDLTOQ-NXEZZACHSA-N 305.352 -0.322 30 20 DBED COCCNC(=O)[C@H](C#N)C(=O)c1ccnc(-c2nn[nH]n2)c1 1591432694 UTAGMFPRHGVGIY-SECBINFHSA-N 315.293 -0.653 30 20 DBED N#Cc1ccsc1NC(=O)C(=O)N1CCO[C@H](C(=O)O)C1 1594631624 JWOWZVFQYSVLAN-QMMMGPOBSA-N 309.303 -0.130 30 20 DBED N#Cc1nccnc1N1CCN(C(=O)[C@H]2C[C@@H]2C(=O)O)CC1 1601134941 CZCFUAXJQPSGRY-UWVGGRQHSA-N 301.306 -0.282 30 20 DBED C=CCOC[C@H](NC(=O)CCCN1C(=O)CCC1=O)C(=O)O 1602909751 GOPCRZOZTWYRAQ-JTQLQIEISA-N 312.322 -0.312 30 20 DBED C=CCCC(=O)N1CCC[C@](CO)(NC[C@H](O)COC)C1 1673660839 WFDAGLZZVSAGPZ-ZFWWWQNUSA-N 300.399 -0.097 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)c2nccc(C)n2)C1 1690225136 XZFSPPXRWCHSKM-OLZOCXBDSA-N 315.377 -0.273 30 20 DBED CC#CCN1CCN(CCNC(=O)[C@H]2CN(C)CCO2)CC1 1752362567 GNQPOVGQUYGKMD-OAHLLOKOSA-N 308.426 -0.926 30 20 DBED N#CCNC(=O)CN[C@@H](CNC(=O)C1=CCOCC1)C1CC1 1752461083 XGKJAMVDIVZLJJ-ZDUSSCGKSA-N 306.366 -0.543 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@H](NC(=O)[C@@H]2CCCCN2CC)C1 1752686872 DIHIBVSRBGTXJM-KKUMJFAQSA-N 320.437 -0.153 30 20 DBED C#CCNC(=O)CN1CC[C@@H](CNC(=O)CN2CC[C@@H](C)C2)C1 1753136010 RLDTXZNVLCZKKQ-CABCVRRESA-N 320.437 -0.484 30 20 DBED C=CCNC(=O)[C@@H](C)NCCN(C)C(=O)[C@H](C)S(C)(=O)=O 1753203892 CQOCWWUQAWQALO-MNOVXSKESA-N 319.427 -0.842 30 20 DBED C[C@@H](NCC(=O)NCC#N)C1CCN(C(=O)[C@@H]2CCOC2)CC1 1753271956 ZMLFUEXMZWBEED-TZMCWYRMSA-N 322.409 -0.121 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1COC(=O)C1 1753419271 IGIOHAHXOVLXHV-AGIUHOORSA-N 321.377 -0.473 30 20 DBED C=CCNC(=O)CNC[C@@H](O)CNC(=O)c1sccc1F 1753910489 XSIHFILEGQZVHO-SECBINFHSA-N 315.370 -0.130 30 20 DBED C#CCNC(=O)[C@@H](C)NCC[C@@H](C)NC(=O)c1cccnn1 1754008766 PUVLWBBOBPOSFI-VXGBXAGGSA-N 303.366 -0.288 30 20 DBED C#CCCN[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)C[C@@H]1CC 1754466346 DGYHRDGQNLTJDZ-STQMWFEESA-N 320.393 -0.222 30 20 DBED C=CCNC(=O)CN1CC[C@@](C)(NC(=O)c2cnn(C)c2)C1 1754664160 CCVYIBBYDYGMOD-OAHLLOKOSA-N 305.382 -0.084 30 20 DBED C#CCNC[C@]1(C)CCN(C(=O)c2cn(CCOC)nn2)C1 1754696328 ZNUQLXYMLSHVCC-HNNXBMFYSA-N 305.382 -0.001 30 20 DBED C=CCOCCCC(=O)NCC1(O)CN([C@H]2CCNC2=O)C1 1754766532 UMGPVCWJYINFDV-LBPRGKRZSA-N 311.382 -0.979 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](C)N(C)Cc1nc(=O)n(C)[nH]1 1755316923 VRAAAUBFVAHMPJ-TUAOUCFPSA-N 323.397 -0.364 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(CNC(=O)[C@@]34COC[C@@H]3C4)[C@@H]2C1 1755423358 RJVCOIDUCHTRTQ-MJFSBKNWSA-N 319.405 -0.381 30 20 DBED COCC#CCN1CCC([C@@H](C)NC(=O)Cn2cnnn2)CC1 1755842617 WHRYDYGIMQEZCD-CYBMUJFWSA-N 320.397 -0.460 30 20 DBED CN(CCOCCNCC#N)C(=O)c1nnn(C(C)(C)C)n1 1755873209 PTPFMKLIPQBDMR-UHFFFAOYSA-N 309.374 -0.370 30 20 DBED C#CCOCCC(=O)NC[C@@H](C)N(C)C(=O)[C@@H](C)n1cncn1 1756028096 XYGQLFMGZSSFDA-CHWSQXEVSA-N 321.381 -0.158 30 20 DBED C[C@H](CN(C)C(=O)C#CC(C)(C)C)NC(=O)Cn1cnnc1O 1756451452 ZCOUZAXONOEKCS-LLVKDONJSA-N 321.381 -0.004 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H](CO)NC(=O)c1cccn1CC 1756521512 RLPDMUXKVGLRJE-STQMWFEESA-N 321.377 -0.247 30 20 DBED C[C@@H]1CCN(C(=O)CSCC#N)C[C@H]1CNC(=O)C(N)=O 1756801267 KLJRQUBEQFIMJH-NXEZZACHSA-N 312.395 -0.671 30 20 DBED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN(C)C)C2 1781693976 DJSVXJXQUDYLBX-CZUORRHYSA-N 307.394 -0.305 30 20 DBED C[C@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)C3(C#N)CCC3)C2)C1 1785369613 LDAYNJFJNYPTIL-BLLLJJGKSA-N 321.377 -0.109 30 20 DBED N#CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCOC1 1801510948 ZPLDLWBODXRPKL-NRWUCQMLSA-N 307.350 -0.474 30 20 DBED Cc1ncoc1C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846195301 ZLKBODOXPDVBJJ-UHFFFAOYSA-N 317.301 -0.112 30 20 DBED N#CC1(C(=O)N2CCCC23CN(C(=O)[C@@H](N)CN)C3)CCC1 1846974626 PPTUNVFKKOOVOS-NSHDSACASA-N 305.382 -0.830 30 20 DBED CC(C)(C#N)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CNC(=N)N 1847347227 XEUIUCHMQJJVON-UWVGGRQHSA-N 306.370 -0.779 30 20 DBED CCCCCNC(=O)[C@@H](C#N)C(=O)Cn1ccc(=O)n(C)c1=O 49253137 HRDWGQLQTJCPHR-NSHDSACASA-N 320.349 -0.438 30 20 DBED Cn1cc(S(=O)(=O)NCCN(CCC#N)CCC#N)cn1 72605335 MKIZBHXPQKZVTA-UHFFFAOYSA-N 310.383 -0.172 30 20 DBED C#CCOc1ccccc1CN1CCN2C(=O)C(=O)NC[C@H]2C1 91866623 BZGOBSZMVOLUGH-AWEZNQCLSA-N 313.357 -0.159 30 20 DBED C=C(C)CN1CCC(NC(=O)CNC(=O)CNC(C)=O)CC1 106034853 NUKIMKICLRLZBP-UHFFFAOYSA-N 310.398 -0.605 30 20 DBED C/N=C(/NCC(=O)NC(C)C)N1CCN(c2ncccn2)CC1 114066942 WEFVLEMSJHYPON-UHFFFAOYSA-N 319.413 -0.301 30 20 DBED C=CCCOCC(=O)N1CCN(S(=O)(=O)N(C)C)CC1 146873915 WOPYIEJWTWNPKO-UHFFFAOYSA-N 305.400 -0.470 30 20 DBED C#CC[C@@H](NC(=O)c1ccc(S(=O)(=O)N(C)C)o1)C(=O)O 149561314 ZJRQEDBZVZYIOK-MRVPVSSYSA-N 314.319 -0.264 30 20 DBED C=CCN(CCCNS(=O)(=O)CC)[C@@H]1CCS(=O)(=O)C1 178933177 CQEGYADTXSFHRK-GFCCVEGCSA-N 324.468 -0.009 30 20 DBED CC[C@@H](CC#N)NC(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1 183969929 GTNMCRDCZSSNSJ-UWVGGRQHSA-N 313.383 -0.105 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@H]3[C@H](N)CC[C@H]3C2)C1=O 262361727 IXSPREPXENSKEB-HBNTYKKESA-N 320.349 -0.841 30 20 DBED Cn1c(N2CCC(NC3CC3)CC2)c(C#N)c(=O)n(C)c1=O 269283025 MHRFCFQXIGQXDG-UHFFFAOYSA-N 303.366 -0.324 30 20 DBED COC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)Cc1cccc(C#N)c1 269748324 BHLQFOBSWFVGIB-OLZOCXBDSA-N 324.358 -0.004 30 20 DBED COC(=O)C1=C(C)O[C@H](Cn2c(=O)c(C#N)cn(C)c2=O)C1 271730246 MZERZTUPGWEZPZ-JTQLQIEISA-N 305.290 -0.345 30 20 DBED CNS(=O)(=O)N1CCN(C(=O)Cc2ccc(C#N)cc2)CC1 282919402 NPKULZFRGXERRB-UHFFFAOYSA-N 322.390 -0.291 30 20 DBED C#CCCS(=O)(=O)N(CCC(=O)OC)CC(OC)OC 289217094 QOKMQNHWIXMOPG-UHFFFAOYSA-N 307.368 -0.177 30 20 DBED C#CCO[C@H](C)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 294335008 HLVULLMPECGAOL-CQSZACIVSA-N 323.393 -0.972 30 20 DBED Cn1c(N2CC[C@H]3OCCC[C@H]3C2)c(C#N)c(=O)n(C)c1=O 301703959 FTDBKYBEYRZAIS-CMPLNLGQSA-N 304.350 -0.039 30 20 DBED CN(C)c1nccc(CN/C(O)=N/CCN2CCOCC2)n1 329362542 HIFFEPHJYAIDSL-UHFFFAOYSA-N 308.386 -0.122 30 20 DBED C/C(O)=N/C1CN(C(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)C1 329894423 BHZZRQBGXZVSRG-LLVKDONJSA-N 303.384 -0.708 30 20 DBED N#Cc1ncn(CC(=O)N2CCCC[C@@H]2CN2CCOCC2)n1 330271523 WBBHGGFORUIFFH-CYBMUJFWSA-N 318.381 -0.137 30 20 DBED Cc1nc([C@@H]2CN(/C(O)=N/C[C@H]3COCCO3)CCO2)n[nH]1 330325414 UPHMRAQFCXTSAL-QWRGUYRKSA-N 311.342 -0.184 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)NCCN1CCN(C)CC1 330381696 INBHBHXQSLNNKF-GFCCVEGCSA-N 303.432 -0.840 30 20 DBED COCCN1CC[C@H](/N=C(/O)N2CC[C@@H](S(C)(=O)=O)C2)C1 330395527 AKZSPXVNDWCSQP-NWDGAFQWSA-N 319.427 -0.260 30 20 DBED C[C@@H](N/C(O)=N/CCNS(=O)(=O)N(C)C)C1CCOCC1 331241082 PSBVMKRIRXFRNQ-SNVBAGLBSA-N 322.431 -0.299 30 20 DBED CCS(=O)(=O)C[C@H](C)NS(=O)(=O)N(C)[C@H](C)CC#N 332427486 ALBFOFHQZZOPHS-VHSXEESVSA-N 311.429 -0.122 30 20 DBED CCCNC(=O)CNS(=O)(=O)N(CCC#N)CCOC 336906903 UOQBBRBTBSAJSP-UHFFFAOYSA-N 306.388 -0.791 30 20 DBED CCCCN(CC(N)=O)S(=O)(=O)N1CCO[C@@H](C#N)C1 336923141 ULQSTKYBGLNMRJ-JTQLQIEISA-N 304.372 -0.957 30 20 DBED C[C@H]1CN(CCCNC(=O)NCC(=O)NCC#N)C[C@@H](C)O1 343885211 AUEYMUWNGDOVBT-TXEJJXNPSA-N 311.386 -0.575 30 20 DBED COCCN(CC(=O)OC)C(=O)CNc1ccc(C#N)cn1 345432488 ZCQDIIFGDLQCDB-UHFFFAOYSA-N 306.322 0.013 30 20 DBED C=CCNC(=O)CNC(=O)CNC(=O)c1ccc2c(c1)OCO2 348082737 LRZMOIHUFRLUGB-UHFFFAOYSA-N 319.317 -0.437 30 20 DBED C[C@@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)NC1CC1 356481672 PBNYMAMBPFHDAC-SNVBAGLBSA-N 322.394 -0.144 30 20 DBED C=CCCOCCNC(=O)Cc1cc(S(N)(=O)=O)cn1C 362959860 FYZNIEMZVXRALB-UHFFFAOYSA-N 315.395 -0.076 30 20 DBED COc1cc(C#N)ccc1OCC(=O)N1C[C@H](O)C[C@@H]1CO 366630503 MPEXALIJTVRDPO-VXGBXAGGSA-N 306.318 -0.100 30 20 DBED C[C@@H]1CC(=NC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)NO1 378305099 GUYXBJDFELSPAI-NEPJUHHUSA-N 324.381 -0.594 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N1CCN(S(C)(=O)=O)CC1 407977741 UUHSFSWVJYWSTE-SNVBAGLBSA-N 324.428 -0.958 30 20 DBED CC(C)[C@H](C(=O)N1CCO[C@H](C#N)C1)N1CCCS1(=O)=O 408080539 NIAUPJDSMVLEDW-VXGBXAGGSA-N 315.395 -0.203 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2C[C@@H](C(=O)OC)C2)C1=O 412751630 DPJKZOZJDOBDTC-DTORHVGOSA-N 323.305 -0.969 30 20 DBED CCOC(=O)c1c[nH]nc1S(=O)(=O)Nc1nn(C)cc1C#N 443420717 VYCLWFAUTIDVFY-UHFFFAOYSA-N 324.322 -0.008 30 20 DBED COC(=O)NCCNC(=O)C(=O)N1CCc2ccc(C#N)cc21 496261643 GWKVXKIGXZRCAY-UHFFFAOYSA-N 316.317 -0.080 30 20 DBED Cc1nc(S(=O)(=O)NCC(=O)NCCCCC#N)cn1C 505519809 MCCMDULBJPCBIS-UHFFFAOYSA-N 313.383 -0.183 30 20 DBED CCS(=O)(=O)NCCS(=O)(=O)N(CCC#N)C(C)C 532298774 PXGMGHDMLLPGNQ-UHFFFAOYSA-N 311.429 -0.120 30 20 DBED CC(C)(C)NS(=O)(=O)CCNC(=O)[C@@H](N)CCCC#N 570153864 GCYBDXFDDYVICB-JTQLQIEISA-N 304.416 -0.158 30 20 DBED Cc1nc(=NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)o[nH]1 575030586 LESWRPHQXRNVBN-UHFFFAOYSA-N 321.318 -0.411 30 20 DBED CC[C@H](NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N)C(=O)O 592423687 DXFUFXBVCVGVNN-VIFPVBQESA-N 321.337 0.428 30 20 DBED CC(C)[C@@H](C#N)N1CCN(C(=O)Cn2cnc(C(N)=O)n2)CC1 593443945 OWSWPPPWIULDFL-LLVKDONJSA-N 319.369 -0.931 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1CCC[C@@H]1[C@H](C)O 594858926 ZVCBMWDFEFTHQK-NWDGAFQWSA-N 305.400 -0.062 30 20 DBED CCO[C@@H]1CCCN(S(=O)(=O)N2CCO[C@H](C#N)C2)C1 619708129 FSZJEFYLSFERQY-VXGBXAGGSA-N 303.384 -0.044 30 20 DBED COC(=O)CN(CC#N)C(=O)c1ccc(-c2nn[nH]n2)cn1 736919669 VWBPVMJGIFZMHD-UHFFFAOYSA-N 301.266 -0.600 30 20 DBED C#C[C@@H](NS(=O)(=O)c1cc(C(N)=O)n(C)c1)[C@@H]1CCCO1 773059137 VRWRDXKMLOGDFD-PWSUYJOCSA-N 311.363 -0.417 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N1C[C@H](C)O[C@H](CO)C1 786807296 BEQKXWCSWRQOJC-QWRGUYRKSA-N 306.384 -0.622 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CC[C@](C)(C(=O)NC)C1)[C@H]1CCCO1 809311550 XUTQMICBIXAOSD-OZVIIMIRSA-N 321.377 -0.732 30 20 DBED C#CCN1CCN(C(=O)[C@H](CC(N)=O)NC(=O)CC(C)C)CC1 825286061 HVQVOLXQWGRERE-ZDUSSCGKSA-N 322.409 -0.830 30 20 DBED CCOC(=O)CON=C(C(=O)N[C@@H]1CCC[C@H]1O)c1cc[nH]n1 837276702 WAJFKYQAVYGSHY-MWLCHTKSSA-N 324.337 -0.277 30 20 DBED C#CCN(CC#N)C(=O)[C@H](CO)NC(=O)c1cccc(F)n1 846067680 WHCOAIDXUIJJAB-NSHDSACASA-N 304.281 -0.703 30 20 DBED C#CCC[C@@H](O)CNC(=O)c1oc(S(N)(=O)=O)cc1C 847162544 ZLVNEOFINAQHFS-SECBINFHSA-N 300.336 -0.260 30 20 DBED C#CCCS(=O)(=O)NC(=O)C1CCN(C(=O)OC)CC1 850999241 BJHGJSGUKTVFJD-UHFFFAOYSA-N 302.352 -0.066 30 20 DBED C#CCCN(CCOC)C(=O)CCN1CCCS1(=O)=O 856386803 XEJXTOXCQQCSPA-UHFFFAOYSA-N 302.396 -0.090 30 20 DBED CNS(=O)(=O)CCN1CCN(c2ccc(C#N)nc2)CC1 856740108 RZHPVRWJJYNESA-UHFFFAOYSA-N 309.395 -0.376 30 20 DBED CN1C(=O)[C@@H]2CN(CC(=O)N[C@](C)(C#N)C3CC3)C[C@@H]2C1=O 879532112 PWSMZJKDVXEIMB-JRPNMDOOSA-N 304.350 -0.659 30 20 DBED C#CC1(O)CN(C(=O)c2ccc(S(=O)(=O)N(C)OC)cc2)C1 890520287 YJBVBKBWOFQVOD-UHFFFAOYSA-N 324.358 -0.311 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2CCC[C@H](N)C2)C1=O 903756935 UAGSWSGMDLMXSK-NWDGAFQWSA-N 308.382 -0.819 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)c2cc(OC)ncn2)CC1 929568032 QMUIEOKZFYBUGJ-UHFFFAOYSA-N 319.365 -0.455 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H]2CCOC2)C1 938170264 FUNAGMWUBIVYAX-ILXRZTDVSA-N 319.405 -0.162 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](N(C)C(=O)c2ccc(=O)n(C)n2)C1 939401775 NFMBTVAISRNYDI-QWRGUYRKSA-N 317.349 -0.387 30 20 DBED Cc1nnc(CN2CC(N3CCN(C(=O)[C@@H](C)C#N)CC3)C2)o1 941348074 HNRSMIIBOQKASL-NSHDSACASA-N 318.381 -0.134 30 20 DBED O=C1CCC[C@H](C(=O)NC[C@@H]2CCN2C(=O)C#CC2CC2)N1 950548563 NWKATSLTPMKOFX-QWHCGFSZSA-N 303.362 -0.214 30 20 DBED NC(=O)CC(=O)N1CC[C@H]2CCN(C(=O)C#CC3CC3)C[C@H]21 953343086 UYRSEUQDNBMJPB-CHWSQXEVSA-N 303.362 -0.275 30 20 DBED Cc1ccn(CC(=O)N(C)C2CN(C(=O)[C@@H](C)C#N)C2)c(=O)c1 954297206 MXUHSLPISCSKFR-LBPRGKRZSA-N 316.361 -0.014 30 20 DBED C=CCCN1C[C@@H](O)[C@@H](CNC(=O)c2cn(C)ccc2=O)C1 958249263 SRQDADYLHCWXLL-SWLSCSKDSA-N 305.378 -0.016 30 20 DBED C=CCCN1C[C@@H](O)[C@H](CNC(=O)c2ccc(=O)n(C)n2)C1 958650328 VUNNVEPNJPEMGU-DGCLKSJQSA-N 306.366 -0.621 30 20 DBED C#CCCN1C[C@H](CNC(=O)c2cccnc2C(N)=O)[C@@H](O)C1 958715836 ITKAHMIQHNHJHA-AAEUAGOBSA-N 316.361 -0.774 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(O)nc2)C1 958959802 KJDNLQYWTCLHJS-USWWRNFRSA-N 318.333 -0.409 30 20 DBED C#CCN1C[C@H]2C(NC(=O)[C@@H]3CC(=O)N(CCOC)C3)[C@@H]2C1 960166148 LSADEXGYVLWFOP-JHJVBQTASA-N 305.378 -0.839 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)CC(C)(C)O 960307445 SFLVXAGAUHHGTG-SDDRHHMPSA-N 309.366 -0.255 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CN(C(=O)[C@@H]3COC(=O)N3)C[C@H]2C1 961490116 LBCATCHTARTMGC-ZNSHCXBVSA-N 306.322 -0.829 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)[C@H]3CCC(=O)NC3)C[C@@H]2C1 961898225 AHTQIUCFTQLWGJ-ZDEQEGDKSA-N 318.377 -0.411 30 20 DBED C=CCN1CC[C@H](N2C[C@H]3C(NC(=O)c4cnon4)[C@@H]3C2)C1=O 962101806 QRDYIAKOXPHXMX-FOGDFJRCSA-N 317.349 -0.484 30 20 DBED CC#CCN1CC[C@@H](C)[C@H](NC(=O)CN2CCN(C)C(=O)C2)C1 967011868 YZUPZEHXJIGMEC-HUUCEWRRSA-N 320.437 -0.390 30 20 DBED C[C@@H](NC(=O)c1ccc(-n2cnnn2)cn1)C1CN(CC#N)C1 970209088 ANJGGWCNPLOVFS-SNVBAGLBSA-N 312.337 -0.369 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)Cc3ncc[nH]3)C[C@@H]2O)C1 970394628 BZBBWGXJHIPFDH-NEPJUHHUSA-N 318.377 -0.004 30 20 DBED C#CCN1CC([C@@H](C)NC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1 970420300 NYBMDYSDYOMPPJ-BNOWGMLFSA-N 307.394 -0.308 30 20 DBED CN1C[C@@H](C(=O)N2CC[C@]3(CN(CC#N)CCO3)C2)CC1=O 972406190 CRMDLVHDOWQTMS-WFASDCNBSA-N 306.366 -0.708 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)c3cnnc(O)c3)C2)C1 972420041 MQZIIJIRLWDQSV-OAHLLOKOSA-N 302.334 -0.268 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H]2[C@@H]3CN(C(=O)Cn4cccn4)C[C@@H]32)c1 976327009 HRWSTJSHNLPYLI-JYAVWHMHSA-N 324.344 -0.030 30 20 DBED C[C@H](C(=O)N1CC(NC(=O)c2c[nH]c(C#N)c2)C1)n1cncn1 990928867 KVHQVGWMZIIFPO-SECBINFHSA-N 313.321 -0.320 30 20 DBED C#CCN1CCC[C@H](NC(=O)CN2CC(=O)N(C)C2=O)[C@@H]1C 994210796 MJBKULQGRQYSOZ-RYUDHWBXSA-N 306.366 -0.517 30 20 DBED CN(C(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1)C1CC(NCC#N)C1 998761847 RFHNANWBWVYQBX-UNXYVOJBSA-N 316.365 -0.135 30 20 DBED N#Cc1cc(C(=O)NCC2CN(C(=O)c3cnon3)C2)c[nH]1 1001508803 IYEQNHCSCGDMQF-UHFFFAOYSA-N 300.278 -0.229 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)C1CCN(CC(=O)NC)CC1 1005519535 WIEOHZLVDQITNY-HNNXBMFYSA-N 320.437 -0.247 30 20 DBED N#CCN1CCC[C@@H](NC(=O)c2ccc(S(N)(=O)=O)o2)C1 1007777095 UBIOBGAMTJUWEU-SECBINFHSA-N 312.351 -0.355 30 20 DBED C=CCn1cc(C(=O)N2CCN(C(=O)[C@H]3CCOC3)CC2)nn1 1010615825 XOFYJAZZPSHXEH-LBPRGKRZSA-N 319.365 -0.215 30 20 DBED C#Cc1cncc(C(=O)N2CCN(C(=O)c3cnn(C)n3)CC2)c1 1011535773 BVWALJUDTZATKZ-UHFFFAOYSA-N 324.344 -0.210 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1[C@H]2CN(C(=O)COC)C[C@H]12 1013315620 FPOVUUVRZNRZED-AVGNSLFASA-N 305.378 -0.697 30 20 DBED C=CCN1CC[C@@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 1015866879 BASAKWLKEPAMRU-SNVBAGLBSA-N 302.338 -0.552 30 20 DBED O=C1CC[C@H](C(=O)NCC2=CCN(C(=O)C#CC3CC3)CC2)N1 1017343990 SVIYNTSOCBMGAM-CQSZACIVSA-N 315.373 -0.047 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCN(C(=O)c3cnn(C)c3N)C2)C1 1019363340 RSYADZLDLSYRCW-SNVBAGLBSA-N 316.365 -0.164 30 20 DBED C=CCN1CC[C@H](N[C@H]2C[C@@H](NC(=O)c3cn(C)nn3)C2)C1=O 1022042856 OCBXMOVMTQRIHE-TUAOUCFPSA-N 318.381 -0.548 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)Cc3cc[nH]n3)C[C@H]2O)C1 1025524645 RRHWGOQWZVBCDA-CHWSQXEVSA-N 318.377 -0.004 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)Cc3nc[nH]n3)C[C@H]2O)C1 1025542163 LNUUBAHNXXSDFI-GHMZBOCLSA-N 319.365 -0.609 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)Cc3cncnc3)C2)C1=O 1030260267 QXUJQKLLKODSMR-CQSZACIVSA-N 315.377 -0.394 30 20 DBED CC#CCN1CC(NC(=O)c2cnc3c(c2)NC(=O)CO3)C1 1030615673 SQEQOENYRIYJJL-UHFFFAOYSA-N 300.318 -0.150 30 20 DBED CN(C(=O)CN1C(=O)NC(C)(C)C1=O)[C@H]1CCN(CC#N)C1 1033637833 SPRCWQFAEIZOMC-JTQLQIEISA-N 307.354 -0.627 30 20 DBED C=C(Cl)CN1CCO[C@@H](CNC(=O)[C@@H]2CN(C)CCO2)C1 1035328152 QIZZNBDSBFNSRF-STQMWFEESA-N 317.817 -0.114 30 20 DBED Cn1nc2c(c1C(=O)NC[C@@H]1CN(CC#N)CCO1)CCC2 1035576885 JGJMSTJJDJTURA-LLVKDONJSA-N 303.366 -0.137 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)c2cnc(OCC)cn2)C1 1035628721 ZCBVGGSRHAQOIM-LBPRGKRZSA-N 304.350 -0.061 30 20 DBED N#CCN1CC[C@H]2CN(C(=O)c3nnc(O)nc3O)CC[C@@H]21 1036763029 UKCFQAXXENILLF-IUCAKERBSA-N 304.310 -0.657 30 20 DBED C=C(C)CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)CN1CC(=O)NC1=O 1037624274 OCWZPQHPKKJKNE-UHIISALHSA-N 306.366 -0.307 30 20 DBED C[C@H]1[C@@H](Nc2nccnc2C#N)CCN1C(=O)[C@H]1CCNC1=O 1040213732 WVBULOZKXWJCOP-DCAQKATOSA-N 314.349 -0.114 30 20 DBED Cc1cc(C(=O)NCC2(O)CN(C(=O)[C@H](C)C#N)C2)nn1C 1041750322 JMAHPJPXRAIUPH-SECBINFHSA-N 305.338 -0.809 30 20 DBED C=CCN1CC[C@]2(CCN(C(=O)[C@H]3CCS(=O)(=O)N3)C2)C1 1041835481 GTTYHOWSENBLQG-OCCSQVGLSA-N 313.423 -0.212 30 20 DBED N#Cc1cc(C(=O)N2CC(O)(CNC(=O)c3cocn3)C2)c[nH]1 1042055851 LUCHDUGZVZXMIO-UHFFFAOYSA-N 315.289 -0.509 30 20 DBED C[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1NC(=O)[C@H]1C[C@H]1C(N)=O 1042496576 WYNOEBUJWMSLNB-KXGXSXBTSA-N 314.349 -0.589 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2cc[nH]c2)C1 1043042715 UYSGLNKHVTWVAX-NSHDSACASA-N 305.334 -0.644 30 20 DBED C=CC(C)(C)CC(=O)NCC1(O)CN(C(=O)c2ncn(C)n2)C1 1043205995 QBVBSGSKOIMUOY-UHFFFAOYSA-N 321.381 -0.280 30 20 DBED COc1cc(C(=O)NCC2(O)CN(C(=O)[C@@H](C)C#N)C2)sn1 1043257173 NNKZTHFRQWZXLI-QMMMGPOBSA-N 324.362 -0.386 30 20 DBED C=C(C)CCC(=O)NCC1(O)CN(C(=O)Cn2cnnc2O)C1 1043311238 RGMNECBMRGFMJH-UHFFFAOYSA-N 323.353 -0.971 30 20 DBED C#CCC1(C(=O)NCC2(O)CN(C(=O)c3cn[nH]c3)C2)CCC1 1043347503 IONIFHWLHANLOO-UHFFFAOYSA-N 316.361 -0.094 30 20 DBED C=CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)[C@H](O)C(C)C)C1 1043571439 OYYQGOVKOMYESR-VXGBXAGGSA-N 314.382 -0.716 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)c2cncnc2O)C1 1043580075 HAFNADVKWLNXMB-UHFFFAOYSA-N 306.322 -0.549 30 20 DBED C=C(Cl)CN1CC(N(C)C(=O)CN2CC(=O)NC2=O)C1 1044063206 UVHSOGJJXKJRLV-UHFFFAOYSA-N 300.746 -0.567 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)[C@]2(C)CCOC2)C1 1045303093 VBCWRNCWYHNNEY-OAHLLOKOSA-N 324.377 -0.858 30 20 DBED C=CCCCC(=O)NCC1(O)CN(C(=O)C2CN(C(C)=O)C2)C1 1045451045 JBYOFLLXBNOEDD-UHFFFAOYSA-N 323.393 -0.490 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)CCOCC(F)F)C1 1045551366 HTDWFHWEAYFEHU-SECBINFHSA-N 319.308 -0.493 30 20 DBED C#CCN1[C@H]2CC[C@H]1CN(C(=O)CC[C@@H]1NC(=O)NC1=O)CC2 1045887676 JXWVAVDCFKAXSB-AVGNSLFASA-N 318.377 -0.327 30 20 DBED C#CCN1CC[C@H](N2CCN(C(=O)Cc3ccn(C)n3)CC2)C1 1046027241 LCIKTQXZEPPBRL-INIZCTEOSA-N 315.421 -0.186 30 20 DBED Cc1nc(C(=O)N[C@@]2(C)CCN(CC#N)C2)nn1-c1nc[nH]n1 1046521946 NTGGNRAWIWIGPM-ZDUSSCGKSA-N 315.341 -0.588 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2COC(=O)N2)C1 1047370966 VAXBGNQFKXVWDQ-GUBZILKMSA-N 303.746 -0.649 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCc3nn[nH]c32)C1 1047505712 UCWPHDSRSYZYDG-DRZSPHRISA-N 303.366 -0.639 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCN2C(N)=O)C1 1047647744 DDRNAGXACRQMBL-AVGNSLFASA-N 308.382 -0.944 30 20 DBED C=CCCOCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cc[nH]n2)C1 1048335601 DHLAVIBNOVPHDR-STQMWFEESA-N 322.365 -0.354 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)[C@H]1CN(C(=O)c2cc[nH]n2)C[C@@H]1O 1048843920 AOVHYAXZQHECSY-DRZSPHRISA-N 320.349 -0.908 30 20 DBED CC(C)[C@@H](C(=O)N(C)[C@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1O)N(C)C 1048985769 ZLKUGTWVDORCOS-RFGFWPKPSA-N 324.425 -0.238 30 20 DBED C=CCCn1cc(C(=O)NC[C@H]2COCCN2C[C@@H](C)O)nn1 1051156797 YNEHWLOSBDKZJU-OLZOCXBDSA-N 323.397 -0.334 30 20 DBED N#Cc1ccc(N2CC[C@H](NC(=O)c3ccon3)[C@@H](O)C2)nn1 1051633563 ZRZKSRDRSSUPRO-JQWIXIFHSA-N 314.305 -0.294 30 20 DBED CC(=O)NCC(=O)N1C[C@H](C)[C@H](CNC(=O)C#CC2CC2)C1 1051824804 JWGMEKMTVQCVAD-SMDDNHRTSA-N 305.378 -0.253 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)[C@@H]3CC(=O)N(C(C)C)C3)CO2)C1 1053818748 VPNSWCUQSDQRPV-ZIAGYGMSSA-N 319.405 -0.164 30 20 DBED C=CCCN1CC2(C[C@@H](NC(=O)CN3CCCNC3=O)CO2)C1 1053857816 PCQNQMKBHHEGRK-CYBMUJFWSA-N 322.409 -0.063 30 20 DBED C=CCN1CC2(C[C@@H](NC(=O)[C@H]3C[C@H]3C(=O)N(C)C)CO2)C1 1053922458 CSBCVHWTHNCRKM-FRRDWIJNSA-N 307.394 -0.144 30 20 DBED N#Cc1nccc(N2C[C@@H]3C(NC(=O)[C@@]45COC[C@@H]4C5)[C@H]3C2)n1 1056451664 XBJPLSIOYWQNFC-YPIXOSSWSA-N 311.345 -0.064 30 20 DBED CN(c1ccnc(C#N)n1)[C@H]1CCN(C(=O)Cn2cnnn2)C1 1056850163 UTZGLNPBVDEONN-JTQLQIEISA-N 313.325 -0.928 30 20 DBED C#CCOCCC(=O)NCCN(CCO)C(=O)[C@@H](C)SC 1057055611 DXDHENZUHLKJQC-GFCCVEGCSA-N 316.423 -0.285 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)COc1cnn(C)c1 1057168998 YBSJUHKLLJFVQQ-UHFFFAOYSA-N 324.381 -0.298 30 20 DBED COC(=O)[C@@H]1C[C@@H]1C(=O)N(CCO)CCNC(=O)C#CC1CC1 1057178367 VTIOYJQJGYMSLU-QWHCGFSZSA-N 322.361 -0.854 30 20 DBED C=C[C@@](C)(O)CC(=O)N(CCO)CCNC(=O)Cc1cnc[nH]1 1057451301 IQKDLDKCVRXAKY-OAHLLOKOSA-N 324.381 -0.784 30 20 DBED C#CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)[C@@H](CC)OC 1057582965 DFYNXNQKSOEWFI-QWHCGFSZSA-N 314.382 -0.613 30 20 DBED C=C[C@](C)(CC)C(=O)N(CCO)CCNC(=O)c1nc[nH]n1 1058727982 HFIPXYRRQBTNJP-CQSZACIVSA-N 309.370 -0.042 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)c1n[nH]cc1F 1058751764 UVDWPXSFELLNAX-UHFFFAOYSA-N 310.329 -0.241 30 20 DBED CN1CCO[C@H](C(=O)N2CC[C@H](Nc3ccc(C#N)nn3)C2)C1 1058857666 WNWFGRRLSJLUFB-STQMWFEESA-N 316.365 -0.308 30 20 DBED N#Cc1ccc(N[C@H]2CCN(C(=O)[C@@H]3COC(=O)N3)C2)nn1 1058883417 DUVMMOKWKNWBIB-UWVGGRQHSA-N 302.294 -0.531 30 20 DBED COC(=O)[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H](N=c2cc[nH]c(C#N)n2)C1 1059165016 OGGVSKHBXDGCSK-GWOFURMSSA-N 315.333 -0.362 30 20 DBED C[C@H](C#N)C(=O)NCC[C@H]1CCN(C(=O)CS(C)(=O)=O)C1 1059272054 OHKSBUGNRRGUFZ-MNOVXSKESA-N 315.395 -0.455 30 20 DBED N#Cc1nc(=N[C@H]2C[C@H](NC(=O)[C@]3(F)CCOC3)C2)cc[nH]1 1059383397 GKZGBWAWKNWUML-BHDSKKPTSA-N 305.313 -0.042 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1C[C@@H](NC(=O)[C@H]2COCCO2)C1 1059563648 INMXCLDSVNUVSJ-MBNYWOFBSA-N 302.334 -0.150 30 20 DBED C[C@H](C#N)C(=O)NCC[C@H]1CCN(C(=O)Cn2cncn2)C1 1060424752 SVAADZVANOCRLY-NEPJUHHUSA-N 304.354 -0.207 30 20 DBED C=CCCOCC(=O)N1CC2(CCN(C(=O)C(N)=O)CC2)C1 1061036731 ADGGUGJVCDGDML-UHFFFAOYSA-N 309.366 -0.485 30 20 DBED C=CCO[C@H](C)C(=O)N1CCOC[C@H]1CNC(=O)c1ncc[nH]1 1061557884 FJYDALNHVSDJFL-VXGBXAGGSA-N 322.365 -0.042 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CCCCN1C(=O)CCn1cnnn1 1062324078 MWPDGKCQYVPWTO-VXGBXAGGSA-N 319.369 -0.280 30 20 DBED C#CCOCCC(=O)NCC1(NC(=O)CCNC(N)=O)CCC1 1063040042 HOLSNSCLMDRYND-UHFFFAOYSA-N 324.381 -0.760 30 20 DBED CNC(=O)NCC(=O)NCC1(NC(=O)C#CC(C)C)CCC1 1063332180 KGZYFYHZVMOJPE-UHFFFAOYSA-N 308.382 -0.270 30 20 DBED NC(=O)[C@@H]1C[C@@H]1C(=O)NCC1(NC(=O)C#CC2CC2)CCC1 1064559788 VIHNJORFBNCCNY-NEPJUHHUSA-N 303.362 -0.324 30 20 DBED C=CCO[C@H](C)C(=O)NC[C@@H]1CN(C(=O)COCC)CCO1 1064801370 QAPMLSSMLXRATK-CHWSQXEVSA-N 314.382 -0.042 30 20 DBED C=CCCO[C@H](C)C(=O)N1CCO[C@H](CNC(=O)COC)C1 1064941122 FHSHAXKXFUHURC-CHWSQXEVSA-N 314.382 -0.042 30 20 DBED CCC(=O)NCC(=O)N1CCO[C@H](CNC(=O)[C@@H](C)C#N)C1 1064983161 OPPPVJSNIKTFML-WDEREUQCSA-N 310.354 -0.984 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@H](CNC(=O)Cc2cnoc2)C1 1065561601 RKZWEDRWWMQIAF-CMPLNLGQSA-N 306.322 -0.280 30 20 DBED C[C@H]1CN(C(=O)Cn2nccn2)C[C@H]1Nc1cncc(C#N)n1 1067152836 DARPKBQSIOQJTN-CMPLNLGQSA-N 312.337 -0.101 30 20 DBED C=C[C@@](C)(O)CC(=O)N(C)CCCN(C)C(=O)Cn1nccn1 1067292505 PAXMWGHVJITBNY-OAHLLOKOSA-N 323.397 -0.088 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(C[C@H](NC(=O)C(C)(C)C(N)=O)CO2)C1 1068908065 UICWRBRGAWAEHL-UWVGGRQHSA-N 322.365 -0.856 30 20 DBED CN(C(=O)Cn1cncn1)C1CC(N=c2cc[nH]c(C#N)n2)C1 1069740258 AUTSHRHMTNAERV-UHFFFAOYSA-N 312.337 -0.537 30 20 DBED Cc1cc(C(=O)N2C[C@H](n3ccnn3)[C@H](NCC#N)C2)nn1C 1070151553 DOBAGNIXMHCGBV-OLZOCXBDSA-N 314.353 -0.501 30 20 DBED N#CCN1C[C@H]2C[C@@H]3CN(C(=O)CCc4cnn[nH]4)C[C@@]3(C1)O2 1070857452 TYCSJYIVMFLYGZ-UXIGCNINSA-N 316.365 -0.437 30 20 DBED N#CCN1CCNC(=O)CCN(C(=O)[C@@H]2C[C@@]23CCOC3)CC1 1071014278 GWZBAHUYVTZLSQ-XJKSGUPXSA-N 320.393 -0.413 30 20 DBED C#CCN1CC[C@]2(C1)CN(C(=O)C1(C(N)=O)CC1)C[C@@H](C)O2 1071203898 JCDZEYBNMKTNJH-DOMZBBRYSA-N 305.378 -0.423 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(C(=O)CC(=O)NCC)C[C@@H]1C 1071943753 RBEGDIHSQFTJEY-QWHCGFSZSA-N 323.393 -0.484 30 20 DBED C#Cc1ccc(C(=O)N2C[C@H](C)[C@@H](NC(=O)CC(N)=O)C2)nc1 1072466874 BNFGZFSUZSXLMY-GWCFXTLKSA-N 314.345 -0.485 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CCN(C(=O)CNC(N)=O)CC1(C)C 1073483617 ZIIZSMHCIMZUMQ-VHSXEESVSA-N 309.370 -0.442 30 20 DBED CC#CCN1CCCO[C@@H](CNC(=O)c2cnn(C)c2N)C1 1073582015 AFSFNWMUWHJEOF-LBPRGKRZSA-N 305.382 -0.154 30 20 DBED CC#CCN1CCCO[C@H](CNC(=O)[C@@H]2CCC(=O)N2C)C1 1073732695 VTGSOPLDKSZOJO-KGLIPLIRSA-N 307.394 -0.162 30 20 DBED CC#CCN1CCCO[C@@H](CNC(=O)c2ccc(=O)n(C)n2)C1 1073880275 DIPJVIIQRPYBHA-ZDUSSCGKSA-N 318.377 -0.376 30 20 DBED N#CCN1CCO[C@H]2CCN(C(=O)c3ccc(O)nn3)C[C@@H]21 1074160271 QRNGYOGFXXKIGG-RYUDHWBXSA-N 303.322 -0.379 30 20 DBED C=CCCO[C@@H](C)C(=O)N[C@@H](C)CCNC(=O)CNC(N)=O 1075542480 OZEQZVVAHQXJNN-QWRGUYRKSA-N 314.386 -0.353 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)Cn1ncnn1 1076651764 LTFOTKOCVTTYEF-TUAOUCFPSA-N 322.369 -0.725 30 20 DBED Cc1cn2c(n1)C[C@@H](C(=O)N[C@@H]1CN(CC#N)C[C@H]1O)CC2 1077228873 CRUQLVQYXXGKBX-YNEHKIRRSA-N 303.366 -0.561 30 20 DBED CCc1nc2c(C(=O)N[C@@H]3CN(CC#N)C[C@H]3O)ccnc2[nH]1 1077434006 GBOMVQNAOUKKKU-GHMZBOCLSA-N 314.349 -0.181 30 20 DBED N#CCN[C@H]1C[C@H]2CC[C@H]1N(C(=O)c1nnc(O)nc1O)C2 1078988427 CPLKHCBITCFHDM-HRDYMLBCSA-N 304.310 -0.611 30 20 DBED C=CCn1cc(C(=O)N2C[C@H](CNC(=O)C(C)C)[C@@H](O)C2)nn1 1081281752 OIXMVMXBVCSCTP-AAEUAGOBSA-N 321.381 -0.331 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)Cc2ccon2)C[C@H]1O 1081441765 MJAAEWXLQUOXPW-TZMCWYRMSA-N 319.361 -0.044 30 20 DBED C=C(C)CCC(=O)NC[C@H]1CN(C(=O)CNC(C)=O)C[C@H]1O 1081528632 OYWZSXUDIGLNFY-QWHCGFSZSA-N 311.382 -0.586 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2ccncn2)C1 1081679442 KORSHLIYWXIKSZ-TZMCWYRMSA-N 316.361 -0.315 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cc(=O)n(C)o1 1083063950 KEYBMKJITWFFFP-WCQYABFASA-N 305.334 -0.473 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCc3nncn3C2)C1 1084086222 UNVUHASAWSUYSS-XQQFMLRXSA-N 303.366 -0.975 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2cccc3nc(O)oc23)C1 1084131618 OEOIYKATXNNJCT-NEPJUHHUSA-N 301.302 -0.059 30 20 DBED Cn1nnnc1CN[C@H]1C[C@@H](CNC(=O)c2ccc(C#N)[nH]2)C1 1086064227 XIZYTOUMKCHJAZ-JGZJWPJOSA-N 314.353 -0.292 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2C[C@H](N[C@@H](CC)C(N)=O)C2)nn1 1086499806 YERHRPQUDPGUHU-SRVKXCTJSA-N 320.397 -0.174 30 20 DBED CNC(=O)CC(=O)N[C@H]1CC[C@H](C)N(c2cncc(C#N)n2)C1 1089129022 KFEHATMFXOFIJE-QWRGUYRKSA-N 316.365 -0.042 30 20 DBED CC(=O)N(C)CC(=O)N[C@H](C)C[C@@H](C)N=c1cc[nH]c(C#N)n1 1089249968 XYJJJTLUTVVTFJ-GHMZBOCLSA-N 318.381 -0.056 30 20 DBED CNC(=O)CC(=O)N1CC[C@H]2CN(c3ccnc(C#N)n3)C[C@H]21 1090310573 WMCYICDILFAOQY-WDEREUQCSA-N 314.349 -0.479 30 20 DBED C=CCn1cccc1C(=O)N[C@H]1CCN(CC(=O)NC)C[C@H]1O 1090323830 SUBGWKLSDFIJLB-GXTWGEPZSA-N 320.393 -0.415 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2ncc(OC)cn2)[C@@H](O)C1 1090419953 LZXZUBYURNYZOM-OLZOCXBDSA-N 304.350 -0.327 30 20 DBED C#CCN1CC[C@@H](NC(=O)Cn2cnc3c2CCCC3)[C@H](O)C1 1090436123 NPEKOPVAMOOCMB-GDBMZVCRSA-N 316.405 -0.054 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)Cn2nc(C)ccc2=O)[C@H](O)C1 1090747594 KNXXGXZOCYVOBA-ZIAGYGMSSA-N 320.393 -0.321 30 20 DBED Cn1ncc(C(=O)N[C@@H]2CC3(CN(CC#N)C3)n3ccnc32)n1 1092402267 NXKJQFITWUOKBE-SNVBAGLBSA-N 312.337 -0.579 30 20 DBED C[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1CCNC(=O)C(N)=O 1092575536 AZWSWHVIJUSYEU-NXEZZACHSA-N 302.338 -0.588 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1CNC(=O)C1CC2(C1)NC(=O)NC2=O 1093040528 RGNHVMUMXUOWRO-GPZIFOQPSA-N 319.365 -0.818 30 20 DBED CC(C)(C)[C@H](NC(N)=O)C(=O)NCCNc1cncc(C#N)n1 1093744794 GQVAXOBIHDNPKI-LLVKDONJSA-N 319.369 -0.041 30 20 DBED N#Cc1nc(=NCCNC(=O)c2cncc3nc[nH]c23)cc[nH]1 1094198470 PUCHVYDPYGAGNH-UHFFFAOYSA-N 308.305 -0.117 30 20 DBED C=C(C)CN1CC(n2cc(CNC(=O)[C@@H]3CCNC3=O)nn2)C1 1094309960 YYXDOXXTONHVRN-CYBMUJFWSA-N 318.381 -0.537 30 20 DBED CC(=O)NCC(=O)N1CC[C@H](N(C)c2ccc(C#N)nn2)C1 1095088036 LQSZVOGRZSLJTF-LBPRGKRZSA-N 302.338 -0.479 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CCCN(c2cc(F)ncn2)C1 1096163001 WUEZYIJLMVUHBO-NSHDSACASA-N 319.340 -0.160 30 20 DBED COCCNCc1cn([C@H]2CCN(C(=O)[C@H](C)C#N)C2)nn1 1098634337 QMTXKZFHDBQATH-YPMHNXCESA-N 306.370 -0.053 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)c2ncoc2C)[C@H](O)C1 1099709238 DSXIFCRLNWUOHA-NWDGAFQWSA-N 322.365 -0.550 30 20 DBED C=CCCC(=O)N[C@H]1CCN(CCN2C(=O)CCC2=O)C[C@H]1O 1099725571 WXNWQOWCCGMISR-QWHCGFSZSA-N 323.393 -0.347 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)COCCC)[C@H](O)C1 1099733093 RJKYCFADTDHWSV-QWHCGFSZSA-N 313.398 -0.733 30 20 DBED COCCOCCN1CC[C@H](NC(=O)C#CC(C)C)[C@H](O)C1 1099821153 QCVXAHZOMXTZFT-LSDHHAIUSA-N 312.410 -0.140 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)COCc2nncn2C)[C@H](O)C1 1100057982 LNFWCBRWWVSAQG-CHWSQXEVSA-N 323.397 -0.541 30 20 DBED N#Cc1cncc(N2CC[C@H](CNC(=O)Cc3nc[nH]n3)C2)n1 1101011891 MTCNYBXIVJTRKM-SNVBAGLBSA-N 312.337 -0.348 30 20 DBED N#Cc1cncc(N2CC[C@@H](CNC(=O)Cn3nccn3)C2)n1 1101019918 ZUBRXDLFAHMOCG-NSHDSACASA-N 312.337 -0.418 30 20 DBED C#CCNC(=O)CC(=O)NCCN(c1ncccn1)C1CC1 1101317506 DDAIOVNDYKBWAL-UHFFFAOYSA-N 301.350 -0.299 30 20 DBED CN(CCNc1nccnc1C#N)C(=O)CCc1nc[nH]n1 1101553141 DDQIOMMURPYTAR-UHFFFAOYSA-N 300.326 -0.031 30 20 DBED C[C@@H]1CN(Cc2nc(=O)n(C)[nH]2)C[C@H]1CNC(=O)[C@H](C)C#N 1101822262 JQIDXDSMNQKHNT-GMTAPVOTSA-N 306.370 -0.548 30 20 DBED C=C(C)CN1C[C@@H](C)[C@H](CNC(=O)Cn2cnc(C(N)=O)n2)C1 1101983925 QJMOQRNOSMHDBI-VXGBXAGGSA-N 320.397 -0.363 30 20 DBED C[C@@H](CN=c1cc[nH]cc1C#N)N(C)C(=O)Cn1cnnc1O 1104528662 YFCLWYMXPJZWSG-JTQLQIEISA-N 315.337 -0.369 30 20 DBED C=CCNCc1cn(C2CN(C(=O)CN3CCOCC3)C2)nn1 1105213725 JDSGZISOJCEFQN-UHFFFAOYSA-N 320.397 -0.731 30 20 DBED CN(CCN(C)c1ccnc(C#N)n1)C(=O)CCn1cncn1 1105329110 PXJBQZUWIIKKFR-UHFFFAOYSA-N 314.353 -0.075 30 20 DBED N#Cc1cncc(NC[C@@H](O)CNC(=O)COCC2CC2)n1 1105718868 SIOZZEXAVLIYDY-GFCCVEGCSA-N 305.338 -0.336 30 20 DBED N#Cc1cnc(NC[C@H](O)CNC(=O)Cn2ccnc2)cn1 1105883019 QAYRPSOKADELNT-NSHDSACASA-N 301.310 -0.866 30 20 DBED COCCO[C@H](C)C(=O)NC[C@H](O)CNc1cncc(C#N)n1 1105964197 YHRKTDXNIQMNKW-ZYHUDNBSSA-N 323.353 -0.711 30 20 DBED CN(C)[C@H](C(=O)NC[C@H](O)CN=c1cc[nH]cc1C#N)C1CC1 1105995874 XAGSCTSMECAAAB-HIFRSBDPSA-N 317.393 -0.396 30 20 DBED Cc1nc(O)[nH]c1C(=O)NC[C@@H](O)CN=c1cc[nH]cc1C#N 1106000516 HBKJKACMAXDADV-JTQLQIEISA-N 316.321 -0.685 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H](O)CNC(=O)CCn1ccnc1 1106037383 BPQXFLMZVVHTGS-ZDUSSCGKSA-N 314.349 -0.449 30 20 DBED Cc1nsc(NC[C@H](O)CNC(=O)C2(C(N)=O)CC2)c1C#N 1106097848 NDWZWUWTLYMBHO-QMMMGPOBSA-N 323.378 -0.522 30 20 DBED C=CCCNC[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)N2)C[C@H]1C 1106991748 OKHZENBKKHBVQB-JHJVBQTASA-N 315.439 -0.062 30 20 DBED CCNC(=O)CCC(=O)NC/C=C/CN=c1cc[nH]c(C#N)n1 1107083411 ZNYOGXGVPXMIAF-ONEGZZNKSA-N 316.365 -0.229 30 20 DBED Cc1cc(C#N)nc(NC/C=C/CNC(=O)[C@@H]2COC(=O)N2)n1 1107175218 IIHHQXANCSQWSX-VUDBWIFFSA-N 316.321 -0.151 30 20 DBED C#CCN1CC(n2cc(CNC(=O)[C@H](C)OCCOC)nn2)C1 1107217441 LJNKKIHFKSVHQA-LBPRGKRZSA-N 321.381 -0.564 30 20 DBED C[C@H](CNc1cncc(C#N)n1)NC(=O)c1cc(=O)n(C)cn1 1108186422 PHQLDLOFNKUXEY-SECBINFHSA-N 313.321 -0.328 30 20 DBED C#CCCN1CCO[C@@](C)(CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 1108211334 PLIMMBNHRWTBCL-ZENOOKHLSA-N 323.393 -0.750 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)CNC(=O)C3CC3)CC2=O)C1 1108509323 HCENAYYXPPXWIP-LBPRGKRZSA-N 320.393 -0.900 30 20 DBED C[C@@H](CNc1ccc(C#N)nn1)NC(=O)CN1CCCNC1=O 1108788719 LTSAEJMMZKLLEU-JTQLQIEISA-N 317.353 -0.320 30 20 DBED C[C@H](CN(C)c1ccncc1C#N)NC(=O)CCNC(N)=O 1108961761 MJJIIUCOXGYVGT-SNVBAGLBSA-N 304.354 -0.047 30 20 DBED C#CCNC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cn[nH]c1 1110315534 YXYCBTPADCFDPZ-ASEORRQLSA-N 315.377 -0.117 30 20 DBED CNC(=O)NCC(=O)NCC1(N=c2cc[nH]cc2C#N)CC1 1110381106 UKLKQZDEQTUFGJ-UHFFFAOYSA-N 302.338 -0.635 30 20 DBED C[C@H](C(=O)NCC1(Nc2ccc(C#N)nn2)CC1)S(C)(=O)=O 1110391109 XKPITZVMFLGSLE-SECBINFHSA-N 323.378 -0.158 30 20 DBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CC(=O)NC 1110478956 RUGLYXXHCXBKNX-UTUOFQBUSA-N 308.382 -0.854 30 20 DBED CCC(=O)NCC(=O)N[C@@]1(C)CCN(c2ccc(C#N)nn2)C1 1110733200 GSROTWRAHNUETM-HNNXBMFYSA-N 316.365 -0.041 30 20 DBED N#Cc1nccc(N2CC[C@](O)(CNC(=O)c3cnco3)C2)n1 1111121498 GUXWQNNSKWCUBJ-AWEZNQCLSA-N 314.305 -0.293 30 20 DBED CN(C)CCCC(=O)N(CCO)CCNc1ccc(C#N)nn1 1111552117 WGYBGUQROYLMOS-UHFFFAOYSA-N 320.397 -0.077 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(c2nccnc2F)C[C@H]1O 1112719954 FXECJSDAZIBMCE-NWDGAFQWSA-N 304.325 -0.058 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)[C@H](CC)N(C)C)CC1 1113353150 PIDXFUBYJQSMBG-KBPBESRZSA-N 308.426 -0.391 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H](C)N(C)c1nccc(OC)n1 1113566809 BFIRMNIVUUSCCD-LLVKDONJSA-N 319.365 -0.434 30 20 DBED Cc1nsc(N(C)[C@@H](C)CNC(=O)[C@H]2CNC(=O)N2)c1C#N 1113869510 NYPWXNODGBEYRD-OIBJUYFYSA-N 322.394 -0.055 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@H](C)n3cccn3)[C@H]2C1 1113892885 FNLMSMVHVDDTQP-RMRHIDDWSA-N 315.377 -0.760 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)CC(=O)NCC)[C@@H]2C1 1114170108 MNPPDXDZDZQTRE-QJPTWQEYSA-N 322.409 -0.750 30 20 DBED C#CCCCC(=O)NC1[C@@H]2CN([C@@H](C)C(=O)NC(N)=O)C[C@@H]12 1114200556 AWUNYLSMAAIYAP-HBNTYKKESA-N 306.366 -0.580 30 20 DBED C=CCN1C[C@H]2C(NC(=O)CS(=O)(=O)CCOC)[C@@H]2C1 1114477033 CHJBMJDVISGEJY-GHMZBOCLSA-N 302.396 -0.720 30 20 DBED N#Cc1ccc(N2C[C@@H]3C(CNC(=O)CNC(N)=O)[C@H]3C2)nc1 1114500128 DAGSYYPEIUZELI-VXGBXAGGSA-N 314.349 -0.580 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)Cc3cc(C)nn3C)[C@@H]2C1 1114558844 OTTBCDWRDAEWCF-HUUCEWRRSA-N 316.405 -0.033 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)c3conc3C)[C@H]2C1 1114761620 MKIKCMPZJKZCRV-QWRGUYRKSA-N 304.350 -0.055 30 20 DBED C=C(Cl)CN1C[C@H]2[C@H](NC(=O)[C@@H](C)NS(C)(=O)=O)[C@H]2C1 1114888625 KWWYZTQRUSBFRU-ZNSHCXBVSA-N 321.830 -0.277 30 20 DBED CC(C)[C@@H](O)C(=O)NCCOCCN(C)c1nccnc1C#N 1115206586 XQNBCVOPDFNENH-CYBMUJFWSA-N 321.381 -0.066 30 20 DBED N#CCN1C[C@@H]2C(NC(=O)CCNC(=O)c3ccco3)[C@H]2C1 1115212388 AYIXMPFVECWCIJ-QWRGUYRKSA-N 302.334 -0.031 30 20 DBED C[C@H](CN(C)C(=O)[C@H]1CN(C)CCO1)Nc1ccc(C#N)nn1 1115664107 IKPPGGJBJUCXMH-DGCLKSJQSA-N 318.381 -0.062 30 20 DBED CCS(=O)(=O)CCNC(=O)C(=O)N1CCC[C@@](C)(C#N)C1 1117259327 QAEVSMBJZNDCMH-ZDUSSCGKSA-N 315.395 -0.310 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCCCN2)CCN1C1CC1 1119351394 UAOJDJIAXRKSHH-GXTWGEPZSA-N 319.409 -0.557 30 20 DBED C=CCN(C)c1nnnn1C[C@]1(OC)CCS(=O)(=O)C1 1120239172 QKRQKJIWFKJVES-LLVKDONJSA-N 301.372 -0.501 30 20 DBED N#Cc1nccnc1N[C@H](CO)CNC(=O)c1cnsn1 1121091586 CPMHAJMNJZNYOY-ZETCQYMHSA-N 305.323 -0.597 30 20 DBED Cc1nscc1C(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1 1121352846 GPIHJAIMYKBASK-SECBINFHSA-N 318.362 -0.262 30 20 DBED CNC(=O)CCCC(=O)NC[C@@H](CO)Nc1ccc(C#N)cn1 1121464896 NYXCBESUMIDVQO-LBPRGKRZSA-N 319.365 -0.241 30 20 DBED C[C@]1(C(=O)NC[C@@H](CO)Nc2ccc(C#N)nc2)CCNC1=O 1122544049 QWQIKLNAWYKTTP-WFASDCNBSA-N 317.349 -0.632 30 20 DBED CN(C[C@@H](O)CNc1nccnc1C#N)C(=O)[C@H]1CCOC1 1124140942 OOSWOZBPXAAHFN-QWRGUYRKSA-N 305.338 -0.384 30 20 DBED COC1CC(C(=O)N(C)C[C@@H](O)CN=c2cc[nH]c(C#N)n2)C1 1124579159 YBFRSZONXBMVJK-CXQJBGSLSA-N 319.365 -0.574 30 20 DBED C=C(Br)CNCCNC(=O)CN1CCOCC1 1125890684 JTQDRNHRMSIJTM-UHFFFAOYSA-N 306.204 -0.067 30 20 DBED C#CCCCC(=O)NCCNC[C@H]1CCN(S(C)(=O)=O)C1 1126338682 FYALQFGXACYXNP-CYBMUJFWSA-N 315.439 -0.223 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1cn(C2CCC2)nn1 1127499007 WXHTZRHTESBIMM-UHFFFAOYSA-N 306.370 -0.375 30 20 DBED C=CCCN1CCn2ncc(CNC(=O)CNC(N)=O)c2C1 1128186387 DQMHTLVBPGRHDR-UHFFFAOYSA-N 306.370 -0.441 30 20 DBED C#CCCN1CCn2ncc(CNC(=O)CS(C)(=O)=O)c2C1 1128240618 ITPOUXHRQWLQQC-UHFFFAOYSA-N 324.406 -0.617 30 20 DBED COCC(=O)NCCC(=O)NCCNCc1ccc(C#N)cc1 1128686272 PIFGXZXVAHVNLQ-UHFFFAOYSA-N 318.377 -0.083 30 20 DBED CC#CCN[C@@H]1CN(C(=O)c2cnn[nH]2)C[C@@H]1n1ccnn1 1129923798 XBTXMNVWJVSBLP-NEPJUHHUSA-N 300.326 -0.925 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1ccc2c(n1)OCCO2 1130812301 LLMNFXYQVVVPRA-UHFFFAOYSA-N 320.349 -0.526 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@H]1Cc2ccccc2O1 1131019232 VUFNRAMXMIWJII-CQSZACIVSA-N 303.362 -0.002 30 20 DBED C#CCNC(=O)CN1C[C@H](NC(=O)c2cn[nH]c2)CC[C@H]1C 1131825530 JWPBCNFYPNHXFM-DGCLKSJQSA-N 303.366 -0.258 30 20 DBED C=CCOCC(=O)N[C@H]1CC[C@@H](C)N(CC(=O)NCC#N)C1 1131947670 XKHYOOPMUANBHQ-OLZOCXBDSA-N 308.382 -0.202 30 20 DBED C[C@@H]1CCN(C(=O)CN2CCOCC2=O)C[C@H]1CNCC#N 1132902894 YELKYUQDPAUHDJ-CHWSQXEVSA-N 308.382 -0.557 30 20 DBED C=CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)c1[nH]nnc1C 1135161277 LNFVXNPRECRAED-UWVGGRQHSA-N 308.386 -0.098 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)CN1CCCC1)NCC(=O)NCC#N 1146336306 ATKJSDBJZFVJQJ-QWHCGFSZSA-N 309.414 -0.405 30 20 DBED COCC#CCN1CCC2(C1)CN(C(=O)[C@@H]1CCNC1=O)C2 1148045205 JVPVOUIXFSFGIG-CYBMUJFWSA-N 305.378 -0.693 30 20 DBED Cn1ncc(CCC(=O)NC[C@H]2CN(CC#N)CCCO2)n1 1150324610 KSKGIIDTOQRHKC-ZDUSSCGKSA-N 306.370 -0.522 30 20 DBED Cc1ccc(=O)n(CC(=O)NC[C@@H]2CN(CC#N)CCCO2)n1 1150620055 JTOOVDIKYAUOFN-CYBMUJFWSA-N 319.365 -0.718 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)CS(=O)(=O)CCC)C1 1150732060 XQFHDXVMLBQWFO-CYBMUJFWSA-N 316.423 -0.349 30 20 DBED CN(C)Cc1cccc(C(=O)NCCNCC(=O)NCC#N)c1 1152238157 ZFBCCSBICSUOBE-UHFFFAOYSA-N 317.393 -0.293 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)NCCNCc1cnn(C)n1 1152398536 BSZLWPXKLRUQSW-UHFFFAOYSA-N 323.401 -0.715 30 20 DBED C=CCCOCC(=O)NCCNCC(=O)NC[C@@H]1CCOC1 1153091318 KBADDLIJRJZNEL-ZDUSSCGKSA-N 313.398 -0.562 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)[C@H]2COCCO2)C1=O 1154859271 ZWDOXINHFQPVGP-CHWSQXEVSA-N 311.382 -0.715 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)[C@@]1(C)CCNC1=O 1155211687 XOYXZNXXSFVFHR-WBMJQRKESA-N 322.409 -0.911 30 20 DBED C=CCN(C)C[C@H]1CCCCN1C(=O)CNC(=O)CNC(C)=O 1158142449 QIQSCKOLWDDRBK-CQSZACIVSA-N 324.425 -0.262 30 20 DBED C=CCNC(=O)CNCCCNC(=O)Cc1cnn(C)c1C 1159589509 XIHLVNANMSIJEF-UHFFFAOYSA-N 307.398 -0.331 30 20 DBED C#CCN1CC=C(CCNC(=O)CCS(=O)(=O)NC)CC1 1160142332 GMHQXOKDMZVZAE-UHFFFAOYSA-N 313.423 -0.303 30 20 DBED C#CCNC(=O)CNCCCNC(=O)CN1CCCCCC1=O 1175591922 NGPYVEOODGVUMJ-UHFFFAOYSA-N 322.409 -0.766 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)CCC(=O)NCC)C1 1181579588 PCEFBNBVOACGLY-GFCCVEGCSA-N 310.398 -0.605 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@H]1CN(C(C)=O)CC12CCOCC2 1186212458 LGVDYUYYUFZEHB-HIFRSBDPSA-N 321.421 -0.011 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H]2CCN(C(=O)c3cc[nH]n3)[C@@H]2C1 1186929648 APBPZEKLUAKGFA-MBNYWOFBSA-N 315.377 -0.306 30 20 DBED Cn1nccc1C(=O)N1CC[C@H]2CN(CC(=O)NCC#N)C[C@H]21 1187124682 FJKDDVSMRIOIAV-WCQYABFASA-N 316.365 -0.794 30 20 DBED COCC#CCN(C)[C@H]1CCN(C(=O)Cn2cnnc2O)C1 1189736692 WLHUXYWRXTWICQ-LBPRGKRZSA-N 307.354 -0.834 30 20 DBED COCC#CCN(C)[C@@H]1CCN(C(=O)C[C@@H]2CCC(=O)N2)C1 1192800121 AZHMFEBETQIMOO-UONOGXRCSA-N 307.394 -0.162 30 20 DBED C=CCC(CC=C)C(=O)N[C@@H]1CN(CCOCCO)C[C@H]1O 1193232068 SFOYJOKPYJWWJK-HUUCEWRRSA-N 312.410 -0.075 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C(C)(C)C(F)F)C1 1196068333 OIGGSXRMKRKFQB-NXEZZACHSA-N 317.336 -0.812 30 20 DBED CC(C)C[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1O 1196276336 NBCNXIJKWXJNJN-AAVRWANBSA-N 322.409 -0.530 30 20 DBED CC(C)[C@H](C(=O)N1CCCN(CC(=O)NCC#N)CC1)N(C)C 1197048616 FSKTWICRMQKBIV-OAHLLOKOSA-N 323.441 -0.253 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)C2(S(C)(=O)=O)CCC2)C1 1197334663 YUSMDSUQEWLPBG-VXGBXAGGSA-N 316.423 -0.309 30 20 DBED CC1CC(C(=O)N2CCCO[C@@H](CNCC(=O)NCC#N)C2)C1 1200227423 IQPDNZGTRTVZMX-RUXDESIVSA-N 322.409 -0.121 30 20 DBED N#CCNC(=O)CN[C@H]1C[C@@H](NC(=O)c2ncc[nH]2)C12CCC2 1202855481 HTVHCHYZWCSOAX-WDEREUQCSA-N 316.365 -0.320 30 20 DBED CC(C)(O)CC(=O)N[C@H]1C[C@@H](NCC(=O)NCC#N)C12CCC2 1202857638 VRPGZSOJUJUJBS-NEPJUHHUSA-N 322.409 -0.196 30 20 DBED CN(C)CCCC(=O)N1CCC(CNCC(=O)NCC#N)CC1 1206074517 QRJFGJKLTYRURY-UHFFFAOYSA-N 323.441 -0.204 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)[C@H]1CCCN1C 1206586222 RZSWHPOUTSNUMN-JHJVBQTASA-N 307.398 -0.843 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)c2cnco2)[C@H](C)C1 1208244900 SAQGHEGWBGHUIM-IJLUTSLNSA-N 304.350 -0.137 30 20 DBED C=C(C)CN(CC)C(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)C(N)=O)C1 1209365605 JNGVONJSCGORJQ-CHWSQXEVSA-N 324.425 -0.135 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 1209474315 GYJFTZZBGBIZLD-GDBMZVCRSA-N 322.453 -0.097 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)c1nccs1 1209691959 YLCHFXFNCXOZKK-NXEZZACHSA-N 307.379 -0.167 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCN(C(=O)Cc2cnc[nH]2)C1 1209836565 LLMJDTMJEOWESB-LLVKDONJSA-N 304.354 -0.827 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)C(C)(F)F)[C@H](OC)C1 1211761431 DFTKREXSZOREQW-GMTAPVOTSA-N 317.336 -0.405 30 20 DBED C=CCOCCCC(=O)N1CCO[C@@H]2CN(CC(N)=O)C[C@@H]21 1217613454 GSNSIJNMRCGLAJ-QWHCGFSZSA-N 311.382 -0.634 30 20 DBED CCc1cnc(CC(=O)N[C@@H]2CN(CC#CCOC)C[C@@H]2O)[nH]1 1219824718 NFHDWQZIKVDCMN-KGLIPLIRSA-N 320.393 -0.674 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2c(C)n[nH]c2C)C1 1220558187 OGHMIYQHMUUCIR-NEPJUHHUSA-N 321.381 -0.896 30 20 DBED COc1ccccc1OCC(=O)N[C@@H]1CN(CC#N)C[C@@H]1O 1220963486 MIPPYQUUSLAAED-NEPJUHHUSA-N 305.334 -0.241 30 20 DBED COCC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CCN(CC#N)[C@H]2C1 1222745352 DHCAFDHXEWPVGL-XQQFMLRXSA-N 308.382 -0.416 30 20 DBED Cc1cncn1CC(=O)NC1CCN(CC(=O)NCC#N)CC1 1228273362 ADVDNQJRFHPXHT-UHFFFAOYSA-N 318.381 -0.588 30 20 DBED N#CCN1CCS(=O)(=O)[C@H](CCNC(=O)[C@H]2CC2(F)F)C1 1230460473 QUAZIUGFDMXJER-NXEZZACHSA-N 321.349 -0.230 30 20 DBED C=CCN1CCS(=O)(=O)[C@H](CCNC(=O)c2nc[nH]n2)C1 1230507931 MOEZSQZDFKPLTM-SNVBAGLBSA-N 313.383 -0.790 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@@H]1CN(C)C(=O)c1cc[nH]n1 1230824144 TWVKWQRDVPPZMI-VXGBXAGGSA-N 303.366 -0.306 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)Cc1cc[nH]n1 1231379396 YGWLEQPYXQCKOD-CYBMUJFWSA-N 303.366 -0.766 30 20 DBED N#Cc1ncn(CCNC(=O)CSc2nnnn2C2CC2)n1 1258125055 SHZMZJUWKLGSNT-UHFFFAOYSA-N 319.354 -0.620 30 20 DBED CN(CCO)C(=O)C(=O)N1CC(Oc2ccc(C#N)cc2)C1 1261350359 WFJIMHYZNDMZAH-UHFFFAOYSA-N 303.318 -0.401 30 20 DBED CC#CC[C@@H](CO)NC(=O)[C@H](C)S(=O)(=O)C1CCOCC1 1261500316 NUDCQNDUNSFEMM-RYUDHWBXSA-N 317.407 -0.141 30 20 DBED CS(=O)(=O)CCNC(=S)NC1CCN(CC#N)CC1 1318585699 UVAOHXKYPOSDBA-UHFFFAOYSA-N 304.441 -0.517 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N1CCOC[C@@H]1c1noc(C)n1 1323823478 PKRUQECPNWIRFK-WDEREUQCSA-N 324.337 -0.405 30 20 DBED C#CCNC(=O)C1CCN(C(=O)C(=O)N[C@H](C)CCOC)CC1 1326033385 ODWYSRGSKAKRTJ-GFCCVEGCSA-N 323.393 -0.484 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)C(=O)NCCOCC(F)F)C1 1326918398 HJFQOIJHSAQVCI-GFCCVEGCSA-N 305.281 -0.739 30 20 DBED C#CC1CCN(C(=O)C(=O)N2CCn3nc(C)nc3C2)CC1 1327025123 SBTRDHUXPIPGBX-UHFFFAOYSA-N 301.350 -0.199 30 20 DBED COC(=O)[C@H]1CN(C(=O)C(=O)N2CCC[C@@H](CC#N)C2)CCO1 1328169515 IQIGMLQJLSNZDS-NWDGAFQWSA-N 323.349 -0.461 30 20 DBED CC[C@@H](NC(=O)C(=O)NCCCC#N)C(=O)N1CCOCC1 1329375257 HQCDYDACYJJRDB-LLVKDONJSA-N 310.354 -0.840 30 20 DBED C[C@H](C#N)CN(C)C(=O)C(=O)N1CC[C@@H]2NC(=O)CC[C@@H]2C1 1330475277 TUVWIWHPGVXSBV-UTUOFQBUSA-N 306.366 -0.268 30 20 DBED CC(=O)N1CC[C@@H](NC(=O)C(=O)NCc2ccc(C#N)cc2)C1 1331358532 KLYWIRZKFMYRAE-CQSZACIVSA-N 314.345 -0.089 30 20 DBED C=CCNC(=O)[C@@H](C)OC(=O)c1ncsc1S(N)(=O)=O 1337728504 UCMWMMMHVMYJHT-ZCFIWIBFSA-N 319.364 -0.362 30 20 DBED Cn1c(=O)[nH]c(N2CCC(F)(F)[C@H](CO)C2)c(C#N)c1=O 1364560215 JPTATEQKRPYATC-ZETCQYMHSA-N 300.265 -0.601 30 20 DBED Cn1c(=O)[nH]c(N2CCC[C@@H](n3ccnn3)C2)c(C#N)c1=O 1365231676 MEXOASYQCNSPBS-SECBINFHSA-N 301.310 -0.622 30 20 DBED CO[C@H](C)C(=O)NCc1cc(O)nc(CNC(=O)[C@H](C)C#N)n1 1384645418 TUNLOYVUDAHBHW-RKDXNWHRSA-N 321.337 -0.391 30 20 DBED C[C@@H](C#N)C(=O)NC1CN(C(=O)c2ccnc3c2nnn3C)C1 1387805694 HVLDPEMNQJXGMF-QMMMGPOBSA-N 313.321 -0.536 30 20 DBED CCN(CCC#N)C(=O)CNC[C@@H](C)NC(=O)[C@H]1CCCN1C 1392468517 ZPZZBKZEFAFRGT-ZIAGYGMSSA-N 323.441 -0.063 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H](CNC(=O)CS(C)(=O)=O)C1CC1 1396978151 QMVLTJHUZHLQEQ-WPRPVWTQSA-N 301.368 -0.798 30 20 DBED CNC(=O)NCC(=O)N[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 1397124195 NIVQMMGXTXKKIV-JTQLQIEISA-N 318.337 -0.854 30 20 DBED C[C@H](CNC(=O)C[C@H]1CCC(=O)N1)NC(=O)c1cc(C#N)c[nH]1 1399927219 NMTQORFFCWNVIE-MWLCHTKSSA-N 317.349 -0.210 30 20 DBED N#C[C@H]1COCCN1C(=O)c1ccnc2c(C(N)=O)cnn12 1412532158 KCLSGOPTMAYBTE-QMMMGPOBSA-N 300.278 -0.807 30 20 DBED N#Cc1ncn(CCNS(=O)(=O)CCCN2CCCC2)n1 1414256102 IKOXKNWSHUPJHP-UHFFFAOYSA-N 312.399 -0.445 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@](C)(NC(=O)CN2CCCNC2=O)C1 1417337800 XRIBJFUFLVVIFQ-ABAIWWIYSA-N 321.381 -0.331 30 20 DBED C=C(Cl)CNC[C@@H](C)CNC(=O)Cn1nc(C)n(C)c1=O 1419530047 FBVLUMAGRPPRDV-SECBINFHSA-N 315.805 -0.015 30 20 DBED N#Cc1ncn(CCNC(=O)N[C@@H]2CCCC23OCCO3)n1 1427470336 JMIKDCCTTORDIU-SNVBAGLBSA-N 306.326 -0.255 30 20 DBED CN(CCNC(=O)CS(C)(=O)=O)C(=O)c1c[nH]c(C#N)c1 1429192707 YMSMYRSWCHLQAM-UHFFFAOYSA-N 312.351 -0.881 30 20 DBED Cn1cnc(C(=O)NC[C@H](O)CNCc2cccc(C#N)c2)n1 1438980782 HRFPYJXPEJPYBG-CYBMUJFWSA-N 314.349 -0.433 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)c2cccc(O)n2)C1 1459655778 WJHAJFNVCFMUMJ-BONVTDFDSA-N 318.333 -0.360 30 20 DBED N#Cc1cn(CCC(=O)N2CCC[C@@H](O)CC2)c(=O)nc1O 1468541438 XWMXBKSCTWMVDW-LLVKDONJSA-N 306.322 -0.416 30 20 DBED CCNC(=O)NC(=O)CN[C@@H](C)CNC(=O)c1cc(C#N)c[nH]1 1480442976 XFEAAHYWURHHAB-VIFPVBQESA-N 320.353 -0.560 30 20 DBED C=C(Cl)CN[C@@H](C)CN(C)C(=O)C[C@H](NC(C)=O)C(N)=O 1485930636 VPXZTSWDABAMED-ONGXEEELSA-N 318.805 -0.445 30 20 DBED C=C(Cl)CNC[C@H](O)CN(C)C(=O)c1nnc(O)nc1O 1486288483 UBHNKBLSNFYOOL-ZETCQYMHSA-N 317.733 -0.942 30 20 DBED C=CCCOCC(=O)N[C@@H]1CCCN([C@H]2CCC(=O)NC2=O)C1 1494301399 GUIPPVFAHSJRME-OLZOCXBDSA-N 323.393 -0.035 30 20 DBED C#CC[C@@H](NC(=O)c1nnn(-c2ccn(C)n2)c1C)C(=O)O 1588421286 FUMBZGSSWLUZSF-SECBINFHSA-N 302.294 -0.484 30 20 DBED C=CCN(CCC#N)c1[nH]c(=O)n(C)c(=O)c1-c1nn[nH]n1 1588632221 NRAYAMQHUJCKOW-UHFFFAOYSA-N 302.298 -0.840 30 20 DBED C/N=C(/NCCn1cnc(-c2nn[nH]n2)n1)NCc1ccco1 1591198320 PNPZKBYOLWUYTB-UHFFFAOYSA-N 316.329 -0.584 30 20 DBED C[C@H](/C=C/C(=O)O)NC(=O)CCn1cc(C#N)c(O)nc1=O 1592194228 UNVPSHOJVXFGJJ-UFUPEUMYSA-N 306.278 -0.644 30 20 DBED Cc1nc(C(=O)NCCn2cnc(-c3nn[nH]n3)n2)ccc1C#N 1592349690 SCWFPSMUMWLXGE-UHFFFAOYSA-N 324.308 -0.537 30 20 DBED N#Cc1cccc([C@H](O)CN2CCN(C(=O)C(=O)O)CC2)c1 1594625840 PKEYHOLGGPSPNM-CYBMUJFWSA-N 303.318 -0.180 30 20 DBED COCc1cc(C(=O)O)cc(S(=O)(=O)NCC#CCO)c1 1599278849 DHLVDLDQVSZDEI-UHFFFAOYSA-N 313.331 -0.195 30 20 DBED O=C(O)[C@H]1C[C@H]1C(=O)N[C@H]1[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]21 1601779859 JFJVFAXEVIDJJT-MOWSAHLDSA-N 302.330 -0.307 30 20 DBED C#C[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H](C(=O)O)C[C@@H](O)C2)C1 1602676810 ISZQPQKNCQJONY-GRYCIOLGSA-N 308.334 -0.848 30 20 DBED CCn1nncc1C(=O)N[C@H]1CCCN(CC(=O)NCC#N)C1 1692134334 RKMOLRKPPPMPSR-NSHDSACASA-N 319.369 -0.868 30 20 DBED COCC(=O)NCCC(=O)NC1C[C@@H]2CC[C@H](C1)N2CC#N 1752696628 XOJAOBZPVNVURX-YHWZYXNKSA-N 308.382 -0.226 30 20 DBED C#CCNC(=O)CNCCN(C)C(=O)c1cc(C)nnc1C 1753195527 XGVBEEOZKDPDTF-UHFFFAOYSA-N 303.366 -0.496 30 20 DBED C=C(C)CNC[C@](C)(NC(=O)c1cn(CC(N)=O)nn1)C1CC1 1753527856 QEYVJNSCMOCISA-HNNXBMFYSA-N 320.397 -0.172 30 20 DBED C#CCNC[C@@H]1CCC[C@@H]1NC(=O)CCCN1C(=O)CNC1=O 1753902068 OJCGKTJAGSYMIS-STQMWFEESA-N 320.393 -0.174 30 20 DBED C=CCN1CC[C@H](NC[C@@H](C)NC(=O)Cc2n[nH]c(C)n2)C1=O 1754224891 BIXQHANIMOFIIY-PWSUYJOCSA-N 320.397 -0.463 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@@H](C)NC(=O)C1(C(=O)NC)CCC1 1754249236 CJZFDBSMBOZLAA-NEPJUHHUSA-N 322.409 -0.865 30 20 DBED C=CCOCCNC1(CNC(=O)c2cn(C)c(=O)n2C)CC1 1754535025 CFLWUDBOGAEHDP-UHFFFAOYSA-N 308.382 -0.222 30 20 DBED N#Cc1ccccc1CN1CC[C@](O)(CNC(=O)C(N)=O)C1 1754755263 UJUCHHCCUWGARS-HNNXBMFYSA-N 302.334 -0.903 30 20 DBED COCC#CCNCC[C@H]1CCN(C(=O)[C@@H]2CCN(C)C2=O)C1 1754928713 WSMWUNHZQTVSKD-LSDHHAIUSA-N 321.421 -0.057 30 20 DBED C=C(Cl)CN1CC2(CC[C@@H](CNC(=O)CC(N)=O)O2)C1 1755053121 OGDJAZWAJHKCHU-JTQLQIEISA-N 301.774 -0.036 30 20 DBED N#CCSCC(=O)N[C@H]1COC2(C1)CN(Cc1cnon1)C2 1755059232 OPBSZLIKEMLTFJ-SNVBAGLBSA-N 323.378 -0.214 30 20 DBED Cc1cc(NC(=O)C(=O)N2CCC[C@](CO)(NCC#N)C2)no1 1755092077 UOAGHIYMLPUYST-AWEZNQCLSA-N 321.337 -0.612 30 20 DBED CN(CC(C)(C)CNCC(=O)NCC#N)C(=O)C1=COCCO1 1755278122 UUGWRYYQQWBCCA-UHFFFAOYSA-N 324.381 -0.411 30 20 DBED C#CCCN(C)CCN(C(=O)C[C@@H]1NC(=O)NC1=O)C(C)C 1755812944 FQVQVGKFCDCNEX-LBPRGKRZSA-N 308.382 -0.223 30 20 DBED C=CCOCC(=O)N(C)C[C@H](O)CNC(=O)[C@@H]1CCCN1C 1756655152 DHRMNRNQYQLBPJ-OLZOCXBDSA-N 313.398 -0.781 30 20 DBED C=C[C@@](C)(O)CC(=O)N(C)C[C@@H](O)CNC(=O)c1ccc[nH]1 1756660665 KPFUMRLOTPEKSS-XHDPSFHLSA-N 309.366 -0.109 30 20 DBED C=CC(C)(C)CC(=O)NC[C@@H](O)CN(C)C(=O)Cc1nc[nH]n1 1756680453 YJOVDBZZLLQAEW-LLVKDONJSA-N 323.397 -0.115 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)[C@@H](F)C(C)C)C[C@H]1O 1756986399 FOSSEQNGTURUEP-WZRBSPASSA-N 302.346 -0.129 30 20 DBED C=C(C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC(=O)N2C)C1 1757024944 SRILURJXCMXKIE-FRRDWIJNSA-N 323.393 -0.349 30 20 DBED N#C[C@@H]1CN(C(=O)NCCN2CCC3(C2)OCCO3)CCO1 1772426146 KONPYMDNWUKJHR-GFCCVEGCSA-N 310.354 -0.631 30 20 DBED C[C@H](S)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)CN)CCO2 1783890820 WFBVCGHSTYDUDF-MJVIPROJSA-N 315.439 -0.271 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#C)[C@H]2C1 1790789901 QHALXSWGIALFHP-QPSCCSFWSA-N 318.373 -0.362 30 20 DBED N#CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CC[C@@H](N)C(N)=O)C2 1795461202 PGEVMPIBHMMYAQ-WRWGMCAJSA-N 321.381 -0.869 30 20 DBED CC(=O)NCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC#N)C2 1800537682 JOLQIPFBZCOQGF-JJLQDPRZSA-N 322.365 -0.984 30 20 DBED COC(=O)NCC(=O)N1CC2(CCCN2C(=O)CCC#N)C1 1842814527 NXUAVOYRZHTSGF-UHFFFAOYSA-N 308.338 -0.150 30 20 DBED N#CCOc1ccc(CN2CCN3C(=O)C(=O)NC[C@H]3C2)cc1 268975209 BPXKEAUKQGBYKH-ZDUSSCGKSA-N 314.345 -0.268 30 20 DBED C=CCNC(=O)CNC(=O)[C@H]1CCCN(S(=O)(=O)CC)C1 271946392 ALDHIDJEDISWIU-NSHDSACASA-N 317.411 -0.534 30 20 DBED CN(C[C@@H]1CCCC[C@H]1O)c1c(C#N)c(=O)n(C)c(=O)n1C 272243119 RHESSUGVYJKIGC-CMPLNLGQSA-N 306.366 -0.057 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1CC[C@H](C)S(=O)(=O)CC1 277213724 WYUJDMWHROJGHW-QWRGUYRKSA-N 317.411 -0.104 30 20 DBED C=CCCOCCNC(=O)C(=O)N[C@@H]1CCN(C(=O)CC)C1 288307703 NWWJKYRSAJSAQO-GFCCVEGCSA-N 311.382 -0.178 30 20 DBED CNS(=O)(=O)NC1CCN(Cc2cc(C#N)n(C)c2)CC1 291604540 QPQBBDQTUILWEM-UHFFFAOYSA-N 311.411 -0.085 30 20 DBED C=CCC[C@@H](CO)NS(=O)(=O)c1cnn(CC(=O)O)c1 321071324 FYQWJLSUMSZZQH-VIFPVBQESA-N 303.340 -0.427 30 20 DBED CN1C[C@@H](N/C(O)=N/CCC(=O)N2CCOCC2)CCC1=O 329469973 XWECSNPCTSRSND-NSHDSACASA-N 312.370 -0.640 30 20 DBED Cn1ccnc(NC[C@H]2CN(/C(O)=N/CC3CC3)CCO2)c1=O 330116384 VIJKFXCAHXVRHE-LBPRGKRZSA-N 321.381 0.217 30 20 DBED C=CCN(CCN1C(=O)CN=C1O)[C@H]1CCS(=O)(=O)C1 330365516 DIDQIASTYSDPPG-JTQLQIEISA-N 301.368 -0.582 30 20 DBED C[C@@H](CO)/N=C(/O)Nc1cnn(CC(=O)N2CCOCC2)c1 330635138 AATSXVIXOZDBAM-JTQLQIEISA-N 311.342 -0.551 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H](C(=O)OC)[C@@H](C)O 336930666 BCSJTKXBSKMJHB-OPRDCNLKSA-N 307.372 -0.775 30 20 DBED CC[C@H](C)[C@@](C)(O)CNS(=O)(=O)N1CCO[C@H](C#N)C1 337089182 IGBDNUQBIDTILG-TUAOUCFPSA-N 305.400 -0.158 30 20 DBED CCn1nccc1CN(C)S(=O)(=O)N1CCO[C@@H](C#N)C1 338985310 FJQVZFKTTANZPO-LBPRGKRZSA-N 313.383 -0.196 30 20 DBED COCC1(C#N)CCN(CC(=O)N2CCN(C(C)=O)CC2)CC1 341990696 MGWHMCLADVVLMZ-UHFFFAOYSA-N 322.409 -0.071 30 20 DBED COC(=O)[C@H](CO)NC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1 350786429 ZNXHUNSDWYDNMJ-OLZOCXBDSA-N 301.302 -0.109 30 20 DBED CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)CC#N)c1 356266498 GETFSKJLTCDRAI-SECBINFHSA-N 324.362 -0.048 30 20 DBED C[C@H](NC(=O)NCC(=O)NCC#N)[C@@H](O)Cc1ccccc1 358280168 SYXUZPBVAXXESH-AAEUAGOBSA-N 304.350 -0.083 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CC(S(=O)(=O)CC)C1 451916778 LJMNSHWFCSTFEK-JTQLQIEISA-N 323.440 -0.168 30 20 DBED C=C(C)COCCNC(=O)N1CC[C@H](S(=O)(=O)NC)C1 533535237 CLYIMPCHFLYRBK-NSHDSACASA-N 305.400 -0.088 30 20 DBED C[C@]1(CNCCS(=O)(=O)c2ccc(C#N)cn2)CCC(=O)N1 564860398 QJJPSWVZZASCSI-CQSZACIVSA-N 322.390 -0.015 30 20 DBED COC[C@@H](C)NC(=O)CNS(=O)(=O)c1cccc(C#N)c1 570610763 JOMQKSOVKBUPPJ-SNVBAGLBSA-N 311.363 -0.012 30 20 DBED CCN1CCN(C(=O)C(=O)Nc2cc(C)c(C#N)cn2)CC1=O 577862549 AUPBVDNZZYPLNL-UHFFFAOYSA-N 315.333 -0.109 30 20 DBED N#C[C@H]1CN(S(=O)(=O)NC[C@H](CO)CC2CC2)CCO1 594866940 VPYFTFLJJHGPJJ-NEPJUHHUSA-N 303.384 -0.546 30 20 DBED COC(=O)c1ccc(N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c(C#N)n1 596013271 HLWWSOAFZQSARS-ZJUUUORDSA-N 315.333 -0.512 30 20 DBED C=CC[C@H](CO)CNS(=O)(=O)c1cc(C(=O)OC)no1 599271177 CCYOUNORCLRUNF-QMMMGPOBSA-N 304.324 -0.076 30 20 DBED N#CCc1cccc(S(=O)(=O)N2C[C@@H](CO)[C@H](CO)C2)c1 599378207 HRYIYJNOTOTLCP-STQMWFEESA-N 310.375 -0.026 30 20 DBED C=CC[C@@H](CO)CNC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1 613252215 DBIZYLNTZMTIMH-GHMZBOCLSA-N 305.400 -0.797 30 20 DBED C=CCn1cc(CNC(=O)[C@@H]2CCCN2S(C)(=O)=O)nn1 644785586 SBVYIEVJXBQZSS-NSHDSACASA-N 313.383 -0.496 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)CCCNC(=O)O 736105693 FIEHUHKGLWEHJE-QMMMGPOBSA-N 301.299 -0.022 30 20 DBED C#CCNS(=O)(=O)N1CCN(CCCn2ccnc2)CC1 776003569 XVMYGYUIEXNRRF-UHFFFAOYSA-N 311.411 -0.642 30 20 DBED C#CCC[C@@H](O)CNC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C 799077088 YQGURFFYSKYWQA-GHMZBOCLSA-N 304.412 -0.159 30 20 DBED C#CCCCNC(=O)C(=O)N1CCN(Cc2cnn(C)c2)CC1 806915316 JHTFKFJSILHVBG-UHFFFAOYSA-N 317.393 -0.406 30 20 DBED C=C(Br)CNC(=O)C(=O)N[C@H](C)C[S@](C)=O 809221352 DCWMQYRYEWEQEJ-QZTNRIJFSA-N 311.201 -0.106 30 20 DBED COc1cc(C=NNCCO)c([N+](=O)[O-])cc1OCC(=O)O 814944058 JQYAIMRIOVXQJN-UHFFFAOYSA-N 313.266 -0.017 30 20 DBED C=CCNC(=O)[C@H](C#N)C(=O)CN(C)C(=O)[C@@H](C)n1cccn1 815908480 CGGJLEBHIWLOTH-VXGBXAGGSA-N 317.349 -0.086 30 20 DBED COC(=O)[C@H](C)S(=O)(=O)NC(=O)c1ncc(C#N)cc1C 816015408 JAWZYZPXWLTHGU-QMMMGPOBSA-N 311.319 -0.117 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)C12CC(C(=O)OC)(C1)C2 830501250 AWCPAPOUPDZLBT-UHFFFAOYSA-N 310.306 -0.115 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)Nc1cccc(C(N)=O)n1 850725229 DNJIRGJWTIPPLV-UHFFFAOYSA-N 318.333 -0.383 30 20 DBED C#CCN1CCN(C(=O)CN2CCC(C(=O)NOC)CC2)CC1 879925107 ZKCHGDCURRUNBF-UHFFFAOYSA-N 322.409 -0.847 30 20 DBED C#CC1(O)CN(Cc2nnc3n(C)c(=O)c4ccccc4n23)C1 934442446 RCIIMPZKTYGIHR-UHFFFAOYSA-N 309.329 -0.239 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](N(C)C(=O)C(N)=O)C1 938597004 FCNMQIIEPNABQN-WOPDTQHZSA-N 309.366 -0.488 30 20 DBED Cn1nncc1C(=O)N[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 940226338 WEAJTRRBOWELJB-SNVBAGLBSA-N 313.321 -0.341 30 20 DBED CO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1NC(=O)c1[nH]c(O)nc1C 942170205 MQPCRMDKZZQWOE-FXBDTBDDSA-N 321.337 -0.461 30 20 DBED C[C@@H]1CN(CC#N)CC[C@H]1NC(=O)CN1C(=O)NC(C)(C)C1=O 944650426 AJKNCVLCUACJIE-GHMZBOCLSA-N 321.381 -0.333 30 20 DBED O=C(NC[C@@H]1CN(C(=O)C#CC2CC2)CCO1)c1ncccn1 944740543 KBPOEBOXDHSMFO-CYBMUJFWSA-N 314.345 -0.153 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@H]3[C@@H](CCN3C(=O)C(N)=O)C2)[nH]1 945933681 ZBHZBEKNMPFTAE-CABZTGNLSA-N 315.333 -0.565 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]1CNC(=O)c1cccn(C)c1=O 951354968 ZDEOEWPTSNKBEF-WDEREUQCSA-N 302.334 -0.124 30 20 DBED C=CCOc1cccnc1C(=O)N1CC(N(C)C(=O)C(N)=O)C1 955161956 QBWQGKMLUSEZMW-UHFFFAOYSA-N 318.333 -0.586 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](CNC(=O)c2coc(C(N)=O)c2)C1 958277098 NDGFQIQOBQNCNU-VXGBXAGGSA-N 307.350 -0.023 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2ccccn2)C1 958407194 ZUMFZGQPZVDCIS-WXHSDQCUSA-N 302.334 -0.115 30 20 DBED C#CCCN1C[C@@H](O)[C@@H](CNC(=O)c2cnc3cccnn23)C1 958466825 BFCTWUBICCVSDX-GXTWGEPZSA-N 313.361 -0.225 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CN(C(=O)Cc3ncc[nH]3)CCO2)C1 965466939 KSEBLCMCXYKDRH-NSHDSACASA-N 317.349 -0.448 30 20 DBED CC(=O)N1CC(N2CCN(C(=O)c3ccc(C#N)[nH]3)CC2)C1 967202840 QLANAWRHYPMFBE-UHFFFAOYSA-N 301.350 -0.125 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)Cc2ccc(F)cn2)C1 968221339 HEQADVJYOGFQBR-WQAKAFBOSA-N 320.324 -0.389 30 20 DBED C=CCN1CC[C@@H](N2CC([C@@H](C)NC(=O)c3cnon3)C2)C1=O 970623650 XEFHCCLSUCWYGP-ZWNOBZJWSA-N 319.365 -0.093 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCN(C(=O)C(N)=O)C1 975559283 PEIFNAKMEXIXSU-TUAOUCFPSA-N 309.366 -0.582 30 20 DBED O=C(N[C@H]1[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]21)C1=COCCO1 976101175 BUKZMAYTTASBQM-JYAVWHMHSA-N 302.330 -0.139 30 20 DBED Cc1c(C(=O)N(C)C[C@@H]2CCN2C(=O)[C@H](C)C#N)nnn1C 977509919 WELPZQKMUQLDJQ-KOLCDFICSA-N 304.354 -0.044 30 20 DBED C#CCN1C[C@H](NC(=O)[C@H]2CN(C(C)=O)CCO2)C(C)(C)C1 977553133 NHMOPRNMAQQGDX-KGLIPLIRSA-N 307.394 -0.307 30 20 DBED CN(C[C@@H]1CCN1C(=O)C#CC1CC1)C(=O)[C@@H]1CCCNC1=O 977868106 ZAYOAROTSOIKPP-UONOGXRCSA-N 317.389 -0.015 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]1CN(C)C(=O)c1cc(=O)n(C)cn1 977933289 YVPDOQBFFIOIKG-MNOVXSKESA-N 317.349 -0.387 30 20 DBED COCc1nn(C)cc1C(=O)NCC1[C@@H]2CN(CC#N)C[C@@H]12 978401077 BTCMGDNKLCUHAS-RYUDHWBXSA-N 303.366 -0.002 30 20 DBED CC#CCN1C[C@H]2C[C@H](NC(=O)Cn3ncnn3)CC[C@H]2C1 979708972 GCLDXTXHLHSJCQ-BFHYXJOUSA-N 302.382 -0.087 30 20 DBED N#Cc1cc(C(=O)NC2CN(C(=O)C[C@H]3COC(=O)C3)C2)c[nH]1 990929739 PKXVCLCRVUXAMH-SECBINFHSA-N 316.317 -0.220 30 20 DBED N#Cc1cc(C(=O)N2CC[C@H](NC(=O)C(F)F)[C@H](O)C2)c[nH]1 991153080 CXCRYTWEVAQNTQ-VHSXEESVSA-N 312.276 -0.157 30 20 DBED C#Cc1cncc(C(=O)N2CC(NC(=O)Cc3ccn(C)n3)C2)c1 991323300 DTFBYSSSXFIOSI-UHFFFAOYSA-N 323.356 -0.020 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@@H](NC(=O)c2ncn(C)n2)[C@@H](O)C1 991449214 YVZSBTNMPPHAMG-MNOVXSKESA-N 321.381 -0.281 30 20 DBED C=CCn1cccc1C(=O)NC1CN(C(=O)[C@@H]2COC(=O)N2)C1 994195251 TZCXCKBBZXXWGY-NSHDSACASA-N 318.333 -0.277 30 20 DBED C#CCN[C@@H]1CN(C(=O)CCn2cc[nH]c(=O)c2=O)CC1(C)C 996417673 JIVZWTLLUOIOPT-GFCCVEGCSA-N 318.377 -0.614 30 20 DBED CN(C(=O)c1ccc(C#N)[nH]1)C1CC(NCc2nnnn2C)C1 998646804 SNMIGHUDKSFTQZ-UHFFFAOYSA-N 314.353 -0.197 30 20 DBED N#CCN1CC=C(CNC(=O)c2coc(S(N)(=O)=O)c2)CC1 1000846773 NITKEMWXPPPLQV-UHFFFAOYSA-N 324.362 -0.188 30 20 DBED N#Cc1ccc(C(=O)N2CC(CNC(=O)[C@H]3COC(=O)N3)C2)[nH]1 1001671923 ZFQCRIAUQDMWLS-LLVKDONJSA-N 317.305 -0.817 30 20 DBED COc1nccc(C(=O)NCC2CN(C(=O)[C@@H](C)C#N)C2)n1 1003422926 FWGWHHOTQKRKRP-VIFPVBQESA-N 303.322 -0.167 30 20 DBED C#Cc1ccc(C(=O)N2CCN(C(=O)c3cn(C)nn3)CC2)nc1 1011085228 SKXUZOGPRGWECH-UHFFFAOYSA-N 324.344 -0.210 30 20 DBED C=CCn1cc(C(=O)N2CCN(C(=O)[C@H](C)C#N)CC2)nn1 1011154977 SXLHOWUMECNGCF-LLVKDONJSA-N 302.338 -0.092 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCCN(C(=O)C(N)=O)[C@H]2C)nn1 1014955388 KNBAWJARRGVNDH-UWVGGRQHSA-N 320.353 -0.941 30 20 DBED C=C(C)CN[C@H]1CCN(C(=O)Cn2ncn3nccc3c2=O)C1 1019461123 GRGXJEHCCHBHSD-LBPRGKRZSA-N 316.365 -0.342 30 20 DBED C=C1CC(C)(C(=O)N2CC[C@@H]3OCCN(C(=O)C(N)=O)[C@@H]3C2)C1 1019921630 IODFZEHJMXDDQN-NEPJUHHUSA-N 321.377 -0.344 30 20 DBED C#CCN(C)[C@@H]1CCCN(C(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 1027505796 SMLKFYWXZSWLJG-OCCSQVGLSA-N 315.377 -0.079 30 20 DBED C#CCCN1CCC[C@@H]1CNC(=O)c1cnc(O)n(C)c1=O 1028069391 HQXONSKFSNAILU-LLVKDONJSA-N 304.350 -0.297 30 20 DBED C#CCCN1CCCC[C@H](NC(=O)CN2CCN(C)C(=O)C2)C1 1034279257 QOSQDOGTPNTZFF-HNNXBMFYSA-N 320.437 -0.246 30 20 DBED CC#CCN1CCCC[C@@H](NC(=O)Cn2ncn(C)c2=O)C1 1034279904 QVNPYDDPBNWBOV-CYBMUJFWSA-N 305.382 -0.424 30 20 DBED Cn1nnc(CN2C[C@H]3C[C@H]2[C@H]3NC(=O)c2cc(C#N)c[nH]2)n1 1037354850 VSAKTOWCCYANAS-CDMKHQONSA-N 312.337 -0.587 30 20 DBED C#CCCCC(=O)NC[C@]1(O)CCN(C(=O)CNC(C)=O)C1 1039570674 YPGUHHDTSFKPCD-OAHLLOKOSA-N 309.366 -0.994 30 20 DBED C[C@H]1[C@@H](N=c2cc[nH]c(C#N)n2)CCN1C(=O)Cn1cncn1 1040128687 WXHWQYMFCDVZAW-QWRGUYRKSA-N 312.337 -0.537 30 20 DBED CC#CCCCC(=O)N1CC[C@](O)(CNC(=O)c2cnon2)C1 1040669722 UGLSTWJPZGALSD-HNNXBMFYSA-N 320.349 -0.044 30 20 DBED CCc1cc(C(=O)N2CC[C@@](O)(CNC(=O)[C@@H](C)C#N)C2)n[nH]1 1040764034 SYDQUFUYDWHLGM-ZUZCIYMTSA-N 319.365 -0.175 30 20 DBED N#Cc1cnc(N2C[C@@H](O)[C@H](NC(=O)c3csnn3)C2)cn1 1041262699 IWCISHQAGYEUSE-PSASIEDQSA-N 317.334 -0.821 30 20 DBED C=CCCn1cc(C(=O)N2CC(O)(CNC(=O)C(C)C)C2)nn1 1041536859 RCTCGDICHOJCFW-UHFFFAOYSA-N 321.381 -0.187 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCN(C(C)=O)C2)C1 1041956512 OITQDNNQWDWQEV-CYBMUJFWSA-N 323.393 -0.490 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)c2cncs2)C1 1042040203 QKVALTCRVTXLBR-UHFFFAOYSA-N 311.363 -0.351 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)[C@@]2(C)CCOC2)C1 1042046825 BCQHKBBQTZEFFE-AWEZNQCLSA-N 312.366 -0.695 30 20 DBED N#Cc1c[nH]c(C(=O)NCC2(O)CN(C(=O)[C@@H]3CC3(F)F)C2)c1 1042392840 XGZHHFCFSYNRRZ-VIFPVBQESA-N 324.287 -0.155 30 20 DBED C#CCCCCC(=O)N1CC(O)(CNC(=O)c2cncnc2)C1 1042710290 RRKYPXFEQCFCMO-UHFFFAOYSA-N 316.361 -0.027 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)COCCOC)C1 1042802241 HKJICSYMJOBPRK-UHFFFAOYSA-N 312.366 -0.858 30 20 DBED C=C(C)CCC(=O)NCC1(O)CN(C(=O)[C@@]2(C)CNC(=O)C2)C1 1043319572 GWWKBFKZIXCNBH-OAHLLOKOSA-N 323.393 -0.442 30 20 DBED C=CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)[C@H]2CCCO2)C1 1043567404 CMQMIWQYIADERA-NWDGAFQWSA-N 312.366 -0.554 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CN(c3cnc(C#N)cn3)C[C@@H]2O)c1 1043887474 SRYQXCQKERUVFS-OLZOCXBDSA-N 323.316 -0.472 30 20 DBED CC(C)(C)C#CC(=O)N1CC(O)(CNC(=O)[C@@H]2CCC(=O)N2)C1 1044263200 ZXFMEUFITJCRTL-NSHDSACASA-N 321.377 -0.996 30 20 DBED C=C[C@@H](C)[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2ncn(C)n2)C1 1044980531 OADGLMYCTFOJOH-GHMZBOCLSA-N 321.381 -0.424 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2ccncn2)C1 1045174702 XMYAGAFFXBCXFV-NSHDSACASA-N 320.349 -0.629 30 20 DBED Cc1cncc(C(=O)N2CC(O)(CNC(=O)[C@H](C)C#N)C2)c1 1045540130 DBFPNJQMUGPKBT-LLVKDONJSA-N 302.334 -0.147 30 20 DBED C=CCCN1CCC(C)(NC(=O)c2cn(CC(N)=O)nn2)CC1 1045646042 XEAHPWLQNBOKBY-UHFFFAOYSA-N 320.397 -0.076 30 20 DBED CC#CCN1CC[C@@H](N2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)C1 1046064757 UBJPNXPQSMFFHT-KFWWJZLASA-N 318.421 -0.650 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)[C@H]2OCC[C@H]2C)C1 1046777728 QGRCPWUKYCQCEQ-YPMHNXCESA-N 312.366 -0.697 30 20 DBED Cc1n[nH]cc1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C#CC2CC2)C1 1048828264 JWPPKGFOLHCYGQ-KBPBESRZSA-N 316.361 -0.225 30 20 DBED C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCS(=O)(=O)N1 1049900395 SXDPEFIFSDECPZ-RWMBFGLXSA-N 311.407 -0.623 30 20 DBED CC#CCN1CCOC[C@H]1CNC(=O)[C@H]1CCCC(=O)N1C 1051229172 VMHHXRHDAUSXNV-ZIAGYGMSSA-N 307.394 -0.162 30 20 DBED CCn1ncnc1CNC[C@H]1CN(C(=O)[C@@H](C)C#N)CCO1 1051494364 IBJYPFOSRWXCOY-RYUDHWBXSA-N 306.370 -0.225 30 20 DBED C#CCOCCC(=O)NC[C@H]1CN(C(=O)CC(N)=O)C[C@@H]1C 1052267166 WTIVTKCKPJGRDS-RYUDHWBXSA-N 309.366 -0.888 30 20 DBED C#CCCN1CCC[C@H](NC(=O)CN2CC(=O)N(C)C2=O)CC1 1052863337 KWKUHBBDQZLRAR-ZDUSSCGKSA-N 320.393 -0.126 30 20 DBED C#CCN1CCC[C@@H](NC(=O)c2nccnc2C(N)=O)CC1 1052921159 GJTWUMUDLOWYRP-LLVKDONJSA-N 301.350 -0.207 30 20 DBED C=CCN1CC2(C1)CN(C(=O)[C@H]1CCN(C)C(=O)C1)CCO2 1053314916 YXUPZWISUYGWNT-ZDUSSCGKSA-N 307.394 -0.046 30 20 DBED C#CCCN1CC2(CC[C@@H](CNC(=O)[C@H]3C[C@H]3C(N)=O)O2)C1 1053661295 VGXBLBIZODMMDL-XQQFMLRXSA-N 305.378 -0.519 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)[C@@H]3C[C@H]3c3cnc[nH]3)CO2)C1 1053832347 IFUCRCNUOSAWJR-IJLUTSLNSA-N 301.350 -0.004 30 20 DBED COc1ccc(C#N)cc1CN[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C 1055020865 UXNWFCSPYOAJLQ-ZWNOBZJWSA-N 316.361 -0.011 30 20 DBED CC(C)C#CC(=O)N1C[C@H]2CN(C(=O)[C@@H]3CNC(=O)N3)C[C@H]2C1 1055328410 MBJPCESGIPKJHX-XQQFMLRXSA-N 318.377 -0.756 30 20 DBED CC(=O)NCC(=O)N1CCC[C@](CO)(NC(=O)C#CC(C)C)C1 1055935367 SFVIDWXDXAMVOM-INIZCTEOSA-N 323.393 -0.748 30 20 DBED C=CCOCC(=O)N1CCC[C@H]2[C@@H]1CCN2C(=O)CNC(C)=O 1056315187 YCXDDTWPWYOPLD-KBPBESRZSA-N 323.393 -0.083 30 20 DBED Cc1cc(C#N)nc(N[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)C2)n1 1056764120 JFECEVSQNDATJH-KOLCDFICSA-N 315.337 -0.649 30 20 DBED Cc1nc(N[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)C2)ccc1C#N 1056764465 WZSKQAJWYLTGQU-NEPJUHHUSA-N 314.349 -0.044 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)c1ccc(=O)n(C)c1 1057170936 HKIQDABFRJGBCP-UHFFFAOYSA-N 321.377 -0.098 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)C[C@H]1COC(=O)C1 1057348088 UIJQWRGISOCOLW-CYBMUJFWSA-N 324.377 -0.320 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)[C@H]1CCCOCC1 1057459383 IMWFEQLGVTZCBA-STQMWFEESA-N 311.382 -0.100 30 20 DBED C[C@@H]1OCC[C@@H]1C(=O)NCCN(CCO)C(=O)C#CC1CC1 1057533467 OYADWGNZKIIUPH-JSGCOSHPSA-N 308.378 -0.238 30 20 DBED N#Cc1nccc(N2CCC(NC(=O)Cn3nccn3)CC2)n1 1057906292 TXKCNYZOBZXNLX-UHFFFAOYSA-N 312.337 -0.275 30 20 DBED C=CCCOCC(=O)N(CCO)CCNC(=O)COCC=C 1057919279 UKTCPTKLETUTQU-UHFFFAOYSA-N 314.382 -0.281 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)c1cc(C2CC2)[nH]n1 1058658770 LBUXCQCERQUBNX-JTQLQIEISA-N 319.365 -0.003 30 20 DBED C=CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)Cc1cnc[nH]1 1058948949 HCZUPMPZIWHZAJ-LBPRGKRZSA-N 324.381 -0.520 30 20 DBED CN1C(=O)CC[C@@H]1C(=O)N[C@H]1C[C@H](N=c2cc[nH]c(C#N)n2)C1 1059379975 IJKNNTAFFXVPOL-GMTAPVOTSA-N 314.349 -0.550 30 20 DBED CN1C[C@@H](C(=O)N[C@H]2C[C@H](Nc3nccnc3C#N)C2)CC1=O 1059446048 IRLDCLWXQPEXNL-DCAQKATOSA-N 314.349 -0.114 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](CCNC(=O)COC)C1 1059502770 YYEDOHYRZJGQTH-LBPRGKRZSA-N 309.366 -0.873 30 20 DBED N#Cc1cnc(N[C@H]2C[C@@H](NC(=O)[C@H]3CCC(=O)N3)C2)cn1 1059585775 CRILDKSFUSJETL-WCABBAIRSA-N 300.322 -0.314 30 20 DBED N#Cc1cnc(N[C@H]2C[C@@H](NC(=O)[C@@H]3CCNC(=O)C3)C2)cn1 1059596236 BCKAWJBCKISHLQ-MXWKQRLJSA-N 314.349 -0.066 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CC[C@H](NC(=O)[C@@H]2CNC(=O)N2)CC1 1060800992 LXRBPVZCPUGHKV-BJDJZHNGSA-N 321.381 -0.381 30 20 DBED C=CCO[C@H](C)C(=O)N1CCOC[C@@H]1CNC(=O)c1cc[nH]n1 1061332189 SZGHUMAVAYQVJC-NEPJUHHUSA-N 322.365 -0.042 30 20 DBED C=CCOCC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1CCCO1 1061421022 HJXBBEWFTOSSRJ-OLZOCXBDSA-N 312.366 -0.288 30 20 DBED N#Cc1ccc(N2CC[C@H](CNC(=O)[C@H]3CCC(=O)N3)C2)nn1 1061539540 PROMJMOJQVMWOR-ZYHUDNBSSA-N 314.349 -0.431 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)Cc1cnoc1 1061852352 YLXWOLLAICQOKY-PWSUYJOCSA-N 306.322 -0.280 30 20 DBED Cc1cncn1CC(=O)N1CCOC[C@H]1CNC(=O)[C@@H](C)C#N 1061852544 JNISNTTULMMWOI-WCQYABFASA-N 319.365 -0.305 30 20 DBED C=C1CC(C)(C(=O)NC[C@@H]2COCCN2C(=O)CNC(C)=O)C1 1061885828 XMVIJADFTDZAAC-CYBMUJFWSA-N 323.393 -0.178 30 20 DBED N#CCSCC(=O)NCC1(NC(=O)c2nc[nH]n2)CCC1 1062581115 ZBZGNUIOYPDJFH-UHFFFAOYSA-N 308.367 -0.170 30 20 DBED CN(C(=O)[C@H]1CNC(=O)N1)[C@H]1CCN(c2cncc(C#N)n2)C1 1063025185 RTIGKQKJMHBYOA-WDEREUQCSA-N 315.337 -0.933 30 20 DBED N#Cc1nccc(N2CCO[C@H](CNC(=O)c3cnn[nH]3)C2)n1 1063673207 LOJIKYZCXCRUSA-SECBINFHSA-N 314.309 -0.898 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)[C@H]2COCCN2C)CCC1 1064302057 CCCBJADBOANMLF-NWDGAFQWSA-N 308.382 -0.368 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)Cn2cccn2)CCO1 1064855495 VLPWVIJBXBVITC-CYBMUJFWSA-N 322.365 -0.571 30 20 DBED COC(=O)NCC(=O)N1CCO[C@H](CNC(=O)C#CC2CC2)C1 1064915422 FMFXELGCVWUGMC-GFCCVEGCSA-N 323.349 -0.901 30 20 DBED C=CCOCC(=O)N1CCO[C@@H](CNC(=O)Cc2cnc[nH]2)C1 1064972668 ZHRPSKKFMSSCPL-ZDUSSCGKSA-N 322.365 -0.502 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)C[C@H]2CCC(=O)N2)CCO1 1065331162 ADEUYEBTYNQNQM-CHWSQXEVSA-N 323.393 -0.035 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H]1CN(C(=O)c2cnon2)CCO1 1065509847 JKYSGOLWKOLVTR-GHMZBOCLSA-N 322.321 -0.935 30 20 DBED CNC(=O)C1(C(=O)NC[C@@H]2CN(C(=O)[C@@H](C)C#N)CCO2)CC1 1065556644 JCKTYAYMSVNRTG-WDEREUQCSA-N 322.365 -0.984 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@H](CNC(=O)Cc2cc[nH]n2)C1 1065556961 MBLMEOWXXMSOIF-CMPLNLGQSA-N 305.338 -0.545 30 20 DBED C=CCCC(=O)N1CC[C@H](N2CCN(C(=O)CC(N)=O)CC2)C1 1065691951 NEHWYDWSEXEKIV-ZDUSSCGKSA-N 322.409 -0.427 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCCN(C)C(=O)c1cn(C)c(=O)cn1 1067910179 PFNGIFFCUHPGSL-NSHDSACASA-N 319.365 -0.140 30 20 DBED C=C(C)CCC(=O)N1CC2(CC[C@@H](CNC(=O)C(N)=O)O2)C1 1068618056 MBINASQYSNZZRR-NSHDSACASA-N 309.366 -0.296 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1COC2(C1)CN(C(=O)C1=CCOCC1)C2 1069003127 KFCKZTOAYBASRW-WCQYABFASA-N 319.361 -0.021 30 20 DBED Cc1c[nH]c(C(=O)N[C@@H]2CN(CC#N)C[C@@H]2n2ccnn2)n1 1070048507 UYSQSPSXPJCVED-MNOVXSKESA-N 300.326 -0.512 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2cnnc(O)c2)C[C@@H]1n1ccnn1 1070213462 PAKWDZAOIOHWML-NEPJUHHUSA-N 313.321 -0.938 30 20 DBED C=CCN1C[C@H]2C[C@@H]3CN(C(=O)[C@H]4CCN(C)C4=O)C[C@@]3(C1)O2 1070839007 DQRKOWBORLRNDH-VWPFQQQWSA-N 319.405 -0.048 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)[C@H]2COCCO2)CC1 1070941682 ABCNZVXZKYXRCZ-CYBMUJFWSA-N 311.382 -0.762 30 20 DBED N#CCN1CCNC(=O)CCN(C(=O)[C@@H]2C[C@H]3CC[C@H]2O3)CC1 1070948346 HVMFOVCBOYUURG-MGPQQGTHSA-N 320.393 -0.272 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)[C@H]2CN(C)CCO2)CC1 1070949589 MKBQWNZOSATEAX-CQSZACIVSA-N 324.425 -0.847 30 20 DBED C[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@@]2(CCN(CC#N)C2)O1 1071143545 ARUHCFORNJNQSN-YPMHNXCESA-N 315.395 -0.754 30 20 DBED C#CCCN1CCC2(C1)CN(C(=O)CC[C@@H]1NC(=O)NC1=O)C2 1073412308 LEVXHCVHSKLLNB-LBPRGKRZSA-N 318.377 -0.468 30 20 DBED CCCN1C[C@@H](C(=O)NC[C@H]2CN(CC#N)CCCO2)CC1=O 1073794479 JNAUTWURTVFJBN-KBPBESRZSA-N 322.409 -0.024 30 20 DBED C[C@H]1CN(C(=O)CSCC#N)CC[C@H]1NC(=O)CC(N)=O 1073840357 SMYSMFFYJYWPQM-VHSXEESVSA-N 312.395 -0.528 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CCN(C(=O)[C@@]23COC[C@@H]2C3)CC1 1074611938 DEUCIBDSZMVWEO-WQGACYEGSA-N 321.377 -0.348 30 20 DBED C#CCOCCC(=O)NCC[C@H](C)NC(=O)C[C@@H]1CCC(=O)N1 1076504296 VAJAXRGAPMEJRY-STQMWFEESA-N 323.393 -0.294 30 20 DBED C#CCOCCC(=O)NCC[C@H](C)NC(=O)[C@@]1(C)CNC(=O)C1 1076505998 JHXRGADYTSUYLL-BLLLJJGKSA-N 323.393 -0.437 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)C2(N3CCOCC3)CCCC2)C1 1077765272 GGPNOKMUFWWXOQ-HUUCEWRRSA-N 321.421 -0.574 30 20 DBED C[C@@H](CCNC(=O)[C@H](C)C#N)NC(=O)C1CCN(C(N)=O)CC1 1078139115 GJDCAKQXYWTYSP-MNOVXSKESA-N 323.397 -0.052 30 20 DBED CCN(C(=O)C#CC1CC1)C1CN(C(=O)[C@]2(C)CCNC2=O)C1 1079739219 LLXGAUXBZIQZQR-QGZVFWFLSA-N 317.389 -0.015 30 20 DBED N#CCSCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2ccon2)C1 1081305784 VCLSNPRAWMXCBO-KOLCDFICSA-N 324.362 -0.520 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@H](CNC(=O)C2=COCCC2)C1 1081333028 NVKGGGJLKATAFK-ZIAGYGMSSA-N 324.377 -0.181 30 20 DBED C=CCOCC(=O)N1C[C@H](CNC(=O)C#CC(C)C)[C@@H](O)C1 1081462751 FDMUUKZOJSPVNW-KBPBESRZSA-N 308.378 -0.216 30 20 DBED C#CCC1(C(=O)NC[C@@H]2CN(C(=O)COC)C[C@@H]2O)CCC1 1081536628 PVYWSAPJMCOVRX-OLZOCXBDSA-N 308.378 -0.238 30 20 DBED C=C1CC(C)(C(=O)NC[C@@H]2CN(C(=O)c3cnn[nH]3)C[C@H]2O)C1 1081750502 WFROEQWHAMEIOQ-ZYHUDNBSSA-N 319.365 -0.290 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CC(=O)N(C)C1 1083098448 TVOAUNBHOMYALT-MELADBBJSA-N 305.378 -0.600 30 20 DBED C=C(Cl)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CCC(=O)N1 1083252183 AYNNUQDQMKIFBH-SDDRHHMPSA-N 313.785 -0.071 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2ccc(NC(N)=O)cc2)C1 1084026209 NHMQEVWPJGVSLV-OLZOCXBDSA-N 302.334 -0.415 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)Cn2c(C)c(C)sc2=O)C1 1084089942 BPZYVADIKQQCLD-NEPJUHHUSA-N 311.407 -0.126 30 20 DBED C#CCN1CCC(C(=O)N[C@@H]2CN(C[C@H](C)OC)C[C@@H]2O)CC1 1084090066 ILVGVVWFQBPHNS-IMJJTQAJSA-N 323.437 -0.472 30 20 DBED CC#CCN1CC[C@@H]2CN(C(=O)CN3C(=O)CCC3=O)C[C@@H]2C1 1088195000 ISXHEUHAKBYPTN-KGLIPLIRSA-N 317.389 -0.061 30 20 DBED CC#CCN1CC[C@H](NC(=O)Cc2cn(C)nc2C)[C@@H](O)C1 1090331576 LOGBOGHXGPVYGO-GJZGRUSLSA-N 304.394 -0.154 30 20 DBED CSCCC(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1O 1090368368 DTZLIXBIJDOSOC-GHMZBOCLSA-N 307.379 -0.233 30 20 DBED CCO[C@@H](CC)C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1O 1090377857 NUNHRRAFUURQQB-UTUOFQBUSA-N 319.365 -0.171 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(c2nc(C)ncc2C)C[C@H]1O 1090391217 FMQULCKPZCHRMB-CHWSQXEVSA-N 306.366 -0.038 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2cc(=O)c(OC)c[nH]2)[C@H](O)C1 1090433618 RLOOZJRVFNPDJZ-BXUZGUMPSA-N 319.361 -0.428 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2ccn3nnnc3c2)[C@H](O)C1 1090486621 ONKUIKKPWNUZSH-CHWSQXEVSA-N 314.349 -0.687 30 20 DBED CC#CCN1CC[C@H](NC(=O)C(C)(C)N2CCOCC2)[C@H](O)C1 1090641416 PFWPROPLVIRGDX-LSDHHAIUSA-N 323.437 -0.328 30 20 DBED C=CCCN1CC[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)[C@@H](O)C1 1090794425 PUSADDUIPRCLEH-NEPJUHHUSA-N 324.381 -0.992 30 20 DBED Cc1sc(=O)n(CC(=O)N[C@H]2CCN(CC#N)C[C@H]2O)c1C 1090829695 DTPXUVQXMQWJKR-NWDGAFQWSA-N 324.406 -0.398 30 20 DBED N#Cc1cnc(N2C[C@H](O)[C@H](NC(=O)COCC3CC3)C2)cn1 1091081096 UMFOKABABFTLRD-OLZOCXBDSA-N 317.349 -0.559 30 20 DBED C#CCN1C[C@@H]2CN(C(=O)c3cn(CCOC)nn3)C[C@]2(C)C1 1091664523 QVIOULYRSVAHCX-CJNGLKHVSA-N 317.393 -0.048 30 20 DBED C#CCN1C[C@@H]2CN(C(=O)CN3CCC(=O)NC3=O)C[C@]2(C)C1 1092178293 ZRUDUONUWCWGNS-WBMJQRKESA-N 318.377 -0.658 30 20 DBED Cc1cc(N2CCO[C@@](C)(CNC(=O)C(N)=O)C2)c(C#N)cn1 1092775356 WENVJIZYGOOSSK-HNNXBMFYSA-N 317.349 -0.542 30 20 DBED CN(C)CCC(=O)NC1[C@H]2CN(c3nccnc3C#N)C[C@H]12 1093341331 GJMLBAPDCTUYNB-QWRGUYRKSA-N 300.366 -0.149 30 20 DBED N#Cc1nccnc1N1C[C@H]2[C@H](NC(=O)CCc3cnn[nH]3)[C@H]2C1 1093362375 VIWQDLYPSRNFNT-YABSGUDNSA-N 324.348 -0.350 30 20 DBED Cn1cc(C(=O)NCCN=c2cc[nH]cc2C#N)c(O)nc1=O 1093650512 VCPRYGZDCAFPPE-UHFFFAOYSA-N 314.305 -0.984 30 20 DBED N#Cc1cnc(NCCNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)cn1 1094203473 UDESZTSBHOLQHH-OLZOCXBDSA-N 316.365 -0.260 30 20 DBED C#CCN1CCN(C(=O)c2nocc2C)[C@@H]2CS(=O)(=O)C[C@@H]21 1094673477 IOYJULKXJONBHU-NWDGAFQWSA-N 323.374 -0.460 30 20 DBED N#Cc1nc(=NCCCNC(=O)c2cc(C(N)=O)co2)cc[nH]1 1094788890 GFKJMTSKYMMJNN-UHFFFAOYSA-N 314.305 -0.306 30 20 DBED N#CCN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN1CCOCC1=O)C2 1094938545 ZBSRWMKLTFTHMP-XQQFMLRXSA-N 306.366 -0.662 30 20 DBED N#Cc1cncc(N2CCC(NC(=O)CCNC(N)=O)CC2)n1 1095414838 ZEXUNSMSUMUIPP-UHFFFAOYSA-N 317.353 -0.508 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CCCN(c2ccc3nnnn3n2)C1 1096151335 JARGTXHGCVNBFS-ZJUUUORDSA-N 300.326 -0.236 30 20 DBED CNS(=O)(=O)CC(=O)N[C@H]1CCN(c2ccncc2C#N)C1 1096383978 YZDJDSMYPZFMAA-NSHDSACASA-N 323.378 -0.803 30 20 DBED Cc1cc(=N[C@@H](CNC(=O)CNC(N)=O)C2CC2)c(C#N)c[nH]1 1096565322 JDDRQAAYXZDCBD-ZDUSSCGKSA-N 316.365 -0.341 30 20 DBED C#CCN(CCO)C1CCN(C(=O)C[C@@H]2CCC(=O)NC2)CC1 1098391893 JLIGDNJPVGXKKR-AWEZNQCLSA-N 321.421 -0.179 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(Cc2cnn(C)n2)C[C@H]1O 1099739066 WLOGKGGEUHQONQ-CHWSQXEVSA-N 309.370 -0.931 30 20 DBED CCC(=CC(=O)N[C@@H]1CCN(CC(=O)NCC#N)C[C@H]1O)CC 1099780649 KPELSBGXVJVMCF-ZIAGYGMSSA-N 322.409 -0.076 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)C2(C3CC3)CC2)[C@@H](O)C1 1099884658 ARCMZTYXOPYUAP-KBPBESRZSA-N 319.405 -0.523 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)Cc2cncs2)[C@H](O)C1 1099886001 WWAFDALBCZPNGR-ZIAGYGMSSA-N 323.418 -0.113 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)C2(CC)CCC2)[C@H](O)C1 1099952372 SMFVIPCXMGPCJJ-ZIAGYGMSSA-N 321.421 -0.133 30 20 DBED C=CCCCC(=O)N[C@@H]1CCN(CCOCCO)C[C@@H]1O 1099973518 FGWJTUGIYRMGAH-KGLIPLIRSA-N 300.399 -0.097 30 20 DBED Cc1cc(C#N)nc(N(C)CCNC(=O)[C@@H]2CCN(C)C2=O)n1 1100272991 AGKRQWUDASXQEO-LBPRGKRZSA-N 316.365 -0.313 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)[C@H]2CCCCN2C)C1 1100447253 UREXBRUIRKGKMM-YMAMQOFZSA-N 320.437 -0.296 30 20 DBED CCN(CCNC(=O)[C@@H]1CCNC1=O)c1cnc(C#N)cn1 1100694452 AQDMDLKWJDAOER-LLVKDONJSA-N 302.338 -0.573 30 20 DBED CC(=O)N[C@@H](C)C(=O)NC[C@H]1CCCN1c1cnc(C#N)cn1 1100775549 ZCRBGQCXCXKZBJ-GXFFZTMASA-N 316.365 -0.042 30 20 DBED N#Cc1cnccc1N1CC[C@@H](CNC(=O)CNC(N)=O)C1 1100927946 SUIOGWHADGEEGL-JTQLQIEISA-N 302.338 -0.436 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)c1coc(C(N)=O)c1 1101879953 MNGWWUSQSMSRFY-UHFFFAOYSA-N 314.305 -0.354 30 20 DBED CC[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)Nc1nccnc1C#N 1103277602 LLLWJJYZQNCVRL-WPRPVWTQSA-N 303.326 -0.664 30 20 DBED COC[C@H](C)C(=O)NC[C@@H](O)CNc1nc(C)cc(C#N)n1 1105747181 XROOHQFCSZBSHY-JOYOIKCWSA-N 307.354 -0.172 30 20 DBED Cn1ccc(C(=O)NC[C@H](O)CNc2ccc(C#N)cn2)n1 1105856127 OEJYSXQKDGZPSP-LLVKDONJSA-N 300.322 -0.110 30 20 DBED CNC(=O)C1(C(=O)NC[C@H](O)CNc2ccc(C#N)nc2)CC1 1105895248 GKENNKHAEMUELP-GFCCVEGCSA-N 317.349 -0.632 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)Cc2nc[nH]n2)nc1 1105958409 AROZWIRPSRBGJB-JTQLQIEISA-N 301.310 -0.797 30 20 DBED CC(C)(C(N)=O)C(=O)NC[C@H](O)CNc1ncc(C#N)cc1F 1105999895 XRZIWKPDRZIOAI-SECBINFHSA-N 323.328 -0.507 30 20 DBED COCCn1cc(C(=O)N2C[C@@H](C)[C@H](CNCC#N)C2)nn1 1106117176 IZNLUSUOQPWXQP-VXGBXAGGSA-N 306.370 -0.254 30 20 DBED CCNC(=O)CCCC(=O)N[C@H](C)CN=c1cc[nH]c(C#N)n1 1107868231 PRJCVPXFHAKPQG-LLVKDONJSA-N 318.381 -0.007 30 20 DBED CC#CCN1CCO[C@@](C)(CNC(=O)Cc2n[nH]c(C)n2)C1 1107934778 LLHTUQXDIJODRA-HNNXBMFYSA-N 305.382 -0.114 30 20 DBED COc1cncc(C(=O)N[C@H](C)CN=c2cc[nH]c(C#N)n2)n1 1107948070 MHSPEMMVSVSOKV-SECBINFHSA-N 313.321 -0.201 30 20 DBED CCN1CCOC[C@@H]1C(=O)NC[C@]1(C)CN(CC#N)CCO1 1108039690 FEUAKQBGZVALJZ-UKRRQHHQSA-N 310.398 -0.562 30 20 DBED CCc1nc(C#N)cc(NC[C@@H](C)NC(=O)[C@@H]2CNC(=O)N2)n1 1108076562 UONMHNJQPKJIEE-SCZZXKLOSA-N 317.353 -0.491 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)CS(=O)(=O)CCC)C1 1108405196 VNHUMSIDBNKPKP-CQSZACIVSA-N 316.423 -0.349 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)CCn3cncn3)CC2=O)C1 1108508959 AOPQYCFHGNFHQF-GFCCVEGCSA-N 318.381 -0.745 30 20 DBED Cc1cc(C#N)nc(N(C)C[C@@H](C)NC(=O)CCNC(N)=O)n1 1108961687 KKGNQSVKIBXFRJ-SNVBAGLBSA-N 319.369 -0.344 30 20 DBED C[C@H](CN(C)c1cnc(C#N)cn1)NC(=O)Cn1nccn1 1109103597 KQPINSHMIFTKNL-SNVBAGLBSA-N 300.326 -0.419 30 20 DBED C[C@H](CN(C)c1nccnc1C#N)NC(=O)[C@]1(C)CCC(=O)N1 1109241941 BQTTTWYCHVXUET-BMIGLBTASA-N 316.365 -0.042 30 20 DBED COC(=O)NCC(=O)N[C@H]1[C@H]2C[C@H]1N(c1ccc(C#N)nn1)C2 1109684213 MNBKYTFKDKBXSJ-PLMOITTCSA-N 316.321 -0.602 30 20 DBED COC(=O)NCC(=O)N[C@]1(C)CCN(c2ccnc(C#N)n2)C1 1110710967 PZBPPYVRFTUFNR-CQSZACIVSA-N 318.337 -0.211 30 20 DBED CNC(=O)NCC(=O)N[C@]1(C)CCN(c2ccc(C#N)nc2)C1 1110822210 CZSRQPLXXXCZEG-OAHLLOKOSA-N 316.365 -0.033 30 20 DBED CCO[C@H](C)C(=O)N(C)[C@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1111174804 YTEVVZRMBUUICO-WOPDTQHZSA-N 319.365 -0.219 30 20 DBED CN(C(=O)CC(N)=O)[C@H]1CN(c2cccc(F)c2C#N)C[C@@H]1O 1111176810 PDIWMHIWQLIDDC-STQMWFEESA-N 320.324 -0.419 30 20 DBED Cc1cc(C(=O)N(CCO)CCNc2nccnc2C#N)n[nH]1 1111439513 UFQGMOZLOWAYHQ-UHFFFAOYSA-N 315.337 -0.074 30 20 DBED C#CCOCCC(=O)NC[C@H]1COCCN1c1cc(F)ncn1 1111700802 XJTMJAXOUIAWSI-LBPRGKRZSA-N 322.340 -0.023 30 20 DBED COCCC(=O)NC1(CO)CCN(c2cncc(C#N)n2)CC1 1112645387 IIJZSORSYMUYPO-UHFFFAOYSA-N 319.365 -0.168 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1112701701 KNAJKTQSJKVOGS-AAEUAGOBSA-N 317.349 -0.536 30 20 DBED CN(C)CCC(=O)NC[C@H]1CN(c2nccnc2C#N)C[C@@H]1O 1112755197 NELGXXQOHTZCLL-AAEUAGOBSA-N 318.381 -0.787 30 20 DBED CN(CCN1CCN(C(=O)C#CC2CC2)CC1)S(C)(=O)=O 1112825130 WUAOENLIZCYEFC-UHFFFAOYSA-N 313.423 -0.565 30 20 DBED C=CCC[C@@H](C)N1CCN(C(=O)CN2CCNC(=O)C2)CC1 1113184430 GAGSMNALXRYUQX-CQSZACIVSA-N 308.426 -0.083 30 20 DBED C[C@H](Nc1ccc(C#N)cn1)[C@@H](C)NC(=O)Cn1ncnn1 1113192856 CETXBKCHJUTDOH-VHSXEESVSA-N 300.326 -0.055 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)Cc3ccoc3)[C@@H]2C1 1114166674 WPUQNNFXJIQLJV-CHWSQXEVSA-N 301.346 -0.382 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)CC3(COC)CC3)[C@@H]2C1 1114261021 XHLXXILZDODYGM-CHWSQXEVSA-N 319.405 -0.401 30 20 DBED C#CCOCCC(=O)N[C@H]1[C@@H]2CN([C@H](C)C(=O)NCC=C)C[C@@H]21 1114262607 GZHLJQIGTPZPRR-NYTXWWLZSA-N 319.405 -0.237 30 20 DBED Cc1cc(C#N)nc(N2C[C@@H](NC(=O)CC(N)=O)C(C)(C)C2)n1 1114428030 WKGMZFJWCBCLIX-LLVKDONJSA-N 316.365 -0.137 30 20 DBED C=CCCN1C[C@@H]2C(NC(=O)CCn3ncn(C)c3=O)[C@H]2C1 1114619261 SUMKRTBHLRRURS-RYUDHWBXSA-N 305.382 -0.406 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)[C@@H]3[C@H]4COC[C@H]43)[C@H]2C1 1114714569 VGICMSJYTDIHMH-NZDOLIBDSA-N 317.389 -0.937 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)c3cccn(C)c3=O)[C@H]2C1 1115132819 RAFCXWNAURZJMU-FICVDOATSA-N 315.373 -0.305 30 20 DBED C[C@@H]1C(=O)N(C)CCN1C(=O)C(=O)NCc1ccc(C#N)cc1 1117218585 KRGGQKUHAPFGPL-LLVKDONJSA-N 314.345 -0.136 30 20 DBED C[C@@H]1CC(=O)NCCN1C(=O)C(=O)N1CCC[C@@](C)(C#N)C1 1117866908 QNLGNHXIEFCJRP-ABAIWWIYSA-N 306.366 -0.124 30 20 DBED C#CCN1CCC[C@@H](NC(=O)N2CC[C@@H]3OCC(=O)N[C@H]3C2)C1 1119367368 SNYKCYDCFQEIMX-RDBSUJKOSA-N 320.393 -0.617 30 20 DBED C=CCN(C(=O)C(=O)NCCO[C@@H]1CCOC1)[C@H](C)COC 1119852227 RKOLTMPJYLDYGW-CHWSQXEVSA-N 314.382 -0.042 30 20 DBED N#Cc1cnc(N[C@@H](CO)CNC(=O)Cc2ncc[nH]2)cn1 1121976744 HCHXODYXMLFUQT-SNVBAGLBSA-N 301.310 -0.797 30 20 DBED Cc1cc(C#N)nc(N[C@@H](CO)CNC(=O)c2ccnnc2)n1 1122603402 BGBNQLMZHMJABI-GFCCVEGCSA-N 313.321 -0.351 30 20 DBED Cc1cc(C#N)nc(N[C@@H](CO)CNC(=O)c2nc(C)c[nH]2)n1 1122688368 QSCTVURXLNFJLV-LLVKDONJSA-N 315.337 -0.109 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(C)Cc1nnc2n1CCNC2=O 1124000971 ROCATZNJKQPRIZ-ZJUUUORDSA-N 305.338 -0.429 30 20 DBED C[C@@H](C#N)C(=O)NCCNC[C@@H]1CCN(S(C)(=O)=O)C1 1124894770 BNHCDYIQIZUCPL-QWRGUYRKSA-N 302.400 -0.867 30 20 DBED CC(C)(C(=O)NCCNCC(=O)NCC#N)N1CCCCC1 1127317870 XZOZPOBAUSLBHW-UHFFFAOYSA-N 309.414 -0.404 30 20 DBED Cc1cc(=NCCOCCN(C)C(=O)C(N)=O)c(C#N)c[nH]1 1127458101 VEVMDMYSEHOIPF-UHFFFAOYSA-N 305.338 -0.944 30 20 DBED CC#CCNCc1nnc2n1CC[C@@H](NC(=O)COC)CC2 1127904612 RDBOPAPIRUNEQU-LBPRGKRZSA-N 305.382 -0.142 30 20 DBED C=CCC[C@@H](C)N[C@@H]1CN(C(=O)CC(N)=O)C[C@@H]1n1ccnn1 1129703977 QKLQUCBPFCLNMT-UPJWGTAASA-N 320.397 -0.150 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1cc2n(n1)CCCC2 1130046997 SXOFVSUFNXSLPD-UHFFFAOYSA-N 304.354 -0.821 30 20 DBED C=CCNC(=O)CNCCNC(=O)Cc1cnccc1OC 1130178281 PRHUUNCERDMFFC-UHFFFAOYSA-N 306.366 -0.359 30 20 DBED C=CCNC[C@@H]1CN(C(=O)Cn2c(O)nnc2O)CC[C@H]1C 1133269653 ASOWKAGMYHROIN-GHMZBOCLSA-N 309.370 -0.051 30 20 DBED Cc1c(C(=O)N[C@@H](C)C[C@H](C)NCC(=O)NCC#N)nnn1C 1133993094 CTMSIAAIMAVHCZ-UWVGGRQHSA-N 321.385 -0.750 30 20 DBED C=CCOCCNCCNC(=O)[C@@H]1CCCS(=O)(=O)C1 1134644664 RVXQKCJWQOVFOH-GFCCVEGCSA-N 304.412 -0.280 30 20 DBED C[C@@H](C[C@H](C)NC(=O)c1cccnn1)NCC(=O)NCC#N 1135737835 BGKPJFGFILRSDV-QWRGUYRKSA-N 304.354 -0.397 30 20 DBED C[C@@H](C[C@H](C)NC(=O)C12CCN(CC1)C2)NCC(=O)NCC#N 1135939209 WFTBWVMDPXNVBY-STQMWFEESA-N 321.425 -0.405 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CCc2n[nH]cc2C1 1147678818 LXNMFWPZAMDZDD-NWDGAFQWSA-N 319.409 -0.089 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CN(CC(=O)N2CCC2)CCCO1 1149398170 JAWDZSRANBDYIG-STQMWFEESA-N 308.382 -0.415 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)COCc2ccnn2C)C1 1149881435 NUEFIMQSBNINEU-HNNXBMFYSA-N 320.393 -0.223 30 20 DBED N#CCN1CCCO[C@@H](CNC(=O)CN2CCCNC2=O)C1 1149947453 ZCFSXTVXTZRPTL-LBPRGKRZSA-N 309.370 -0.868 30 20 DBED CC(=O)N(C)CCCC(=O)NC[C@H]1CN(CC#N)CCCO1 1150646050 KKZZDHSTOLZBKD-AWEZNQCLSA-N 310.398 -0.024 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)NCCCNC(=O)CSC 1154429820 ODXGXFGFPOPMJL-JTQLQIEISA-N 316.427 -0.154 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)[C@H]2COCCO2)C1=O 1154859280 ZWDOXINHFQPVGP-QWHCGFSZSA-N 311.382 -0.715 30 20 DBED CCN(CC#CCOC)[C@H](C)CNC(=O)CS(=O)(=O)NC 1156967252 QVXONMSRVYBLSV-GFCCVEGCSA-N 319.427 -0.988 30 20 DBED C#CCOCCC(=O)NCCCNCc1nc(COC)no1 1157859277 GAENWJBBIGPZOY-UHFFFAOYSA-N 310.354 -0.148 30 20 DBED COCC1(CNC(=O)CC(=O)N(C)C)CCN(CC#N)CC1 1162520706 DZVHHEQTHHWRGO-UHFFFAOYSA-N 310.398 -0.167 30 20 DBED C=CCNC(=O)CNCCCC[C@@H](C)NC(=O)c1cnnn1C 1170523889 VAPFJFVRDPTCMJ-GFCCVEGCSA-N 322.413 -0.005 30 20 DBED N#CCNC(=O)CN1CCO[C@@H]2CCN(C(=O)C(F)F)C[C@H]21 1176869903 CIYCIGUYAWCWCD-NXEZZACHSA-N 316.308 -0.807 30 20 DBED C=CCOCCN[C@H]1CCN(C(=O)C[C@H]2CC(=O)NC2=O)[C@H]1C 1180324938 CSSONEGRQDFCMF-XQQFMLRXSA-N 323.393 -0.179 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2cnnc(C)c2)C1 1182188274 QRAFCNOTXDDKQV-CYBMUJFWSA-N 301.350 -0.661 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)CCS(C)(=O)=O)C1 1183676742 JPQYZBFGMLDPAB-GFCCVEGCSA-N 302.396 -0.739 30 20 DBED CCOCC(=O)N1CC[C@H](CNCC(=O)NCC#N)[C@H](C)C1 1183809407 NSVWZQSLYLVRLM-CHWSQXEVSA-N 310.398 -0.263 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)CCN(C)C)[C@@H]2C1 1189034814 NZVXNHXOYVTEJI-UONOGXRCSA-N 306.410 -0.780 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)[C@H](C)n2cncn2)C1 1189705054 GGSFSAOTYWGQSW-QWHCGFSZSA-N 320.397 -0.326 30 20 DBED CC(C)C#CC(=O)N1CC[C@@H](N(C)[C@H](C)C(=O)NC(N)=O)C1 1190067292 LMARDRDREOVIOT-VXGBXAGGSA-N 308.382 -0.238 30 20 DBED CC[C@@H]1CCO[C@@H]1C(=O)N1CC[C@H](N(C)CC(=O)NCC#N)C1 1190765246 IFILMULBPZMAQS-IPYPFGDCSA-N 322.409 -0.026 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)CCn2c(C)csc2=O)C1 1193805647 RBGHRAKIZUBQMX-CHWSQXEVSA-N 323.418 -0.207 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)COCc2ncnn2C)C1 1197365373 CCEKHTPSELZVIJ-CHWSQXEVSA-N 323.397 -0.541 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)CCc2nc[nH]n2)CC1 1199994533 UTBLPUZJHDCNKB-UHFFFAOYSA-N 320.397 -0.380 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)c2cc(C)ncn2)CC1 1200097052 SLOAGUKAPSTSDV-UHFFFAOYSA-N 315.377 -0.271 30 20 DBED CC(=O)N1CC[C@](C)(C(=O)N2CCCO[C@@H](CNCC#N)C2)C1 1201800641 NCCDOCJXJZTEBT-HOCLYGCPSA-N 322.409 -0.024 30 20 DBED C#CCNC[C@@H]1CN(C(=O)[C@H]2CCCN2C(C)=O)CCCO1 1202174086 PXYYBCQLDYPCMJ-HUUCEWRRSA-N 307.394 -0.162 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC(CN[C@@H]2CCNC2=O)CC1 1205264871 JOZLQHIVFQIYHY-GXTWGEPZSA-N 307.394 -0.259 30 20 DBED C=CCNC(=O)[C@H](C)N[C@H]1CCCN(C(=O)CNC(=O)CC)C1 1207701674 PEHMVEFUUYDUPQ-STQMWFEESA-N 324.425 -0.216 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@H](NCc2ncccn2)C1 1207869962 NJNVJUMEKDDFAR-ZDUSSCGKSA-N 315.377 -0.303 30 20 DBED CC#CCN[C@@H]1CCCN(C(=O)CN2C(=O)NC(=O)C2(C)C)C1 1210476011 RIJBJJOGNNJRAX-GFCCVEGCSA-N 320.393 -0.079 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)CCCCC(N)=O)C1 1210577045 WLUOFTUSIQKIFG-CYBMUJFWSA-N 324.425 -0.085 30 20 DBED C=CCCN1C[C@@H](NC(=O)CS(=O)(=O)N(C)C)[C@H](C)C1 1210700967 YBZAVUVDRXGZFZ-VXGBXAGGSA-N 303.428 -0.110 30 20 DBED C=C(C)CCN1C[C@@H](NC(=O)CS(C)(=O)=O)[C@H](OC)C1 1211970287 RWSXWSNEGSWVMX-VXGBXAGGSA-N 304.412 -0.187 30 20 DBED COCC#CCN1C[C@@H](NC(=O)c2cnnc(C)c2)[C@H](OC)C1 1212167879 HMUGADUMSZQTCM-HUUCEWRRSA-N 318.377 -0.136 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(CC(=O)NCC)C[C@H]1OC 1213961852 UQBLCQZTRGJZFX-JHJVBQTASA-N 313.398 -0.471 30 20 DBED C[C@@H]1CN(C(=O)[C@@H]2CCCOCC2)C[C@H]1NCC(=O)NCC#N 1214524765 NVAKPYOVWUSJOD-MGPQQGTHSA-N 322.409 -0.121 30 20 DBED CCS(=O)(=O)N[C@H](C)C(=O)N1C[C@@H](NCC#N)[C@H](C)C1 1214683534 AYRZXTBIQZRSIK-GMTAPVOTSA-N 302.400 -0.726 30 20 DBED CC(C)NC(=O)CN(C)CC(=O)N1C[C@@H](NCC#N)[C@H](C)C1 1215060398 DNTJCCUOGCQMOR-CHWSQXEVSA-N 309.414 -0.597 30 20 DBED C#CCO[C@H](C)C(=O)N1CCO[C@@H]2CN(CC#CCOC)C[C@@H]21 1217869470 WRXULNOKVKCHAR-OWCLPIDISA-N 320.389 -0.414 30 20 DBED N#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)CC2=CCCCC2)C1 1219356100 WIRVBLKDUMJFJH-KGLIPLIRSA-N 320.393 -0.322 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CN(Cc2nc(C3CC3)n[nH]2)C[C@@H]1O 1219378946 JPFQVLPHEBHJHD-GDPRMGEGSA-N 304.354 -0.497 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)c2nn(C)cc2C)C1 1219588716 IUOPHSCOSVWXQQ-OLZOCXBDSA-N 308.382 -0.294 30 20 DBED N#CCNC(=O)CN1CCC(NC(=O)COCC2CC2)CC1 1226237244 VSBUURUCYBWWDZ-UHFFFAOYSA-N 308.382 -0.367 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)Cc2cncnc2)CC1 1227060253 HJTCSYDJJGYBJB-UHFFFAOYSA-N 315.377 -0.651 30 20 DBED COCC#CCN1CCC(NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 1229178630 UHHAZTPTFVSCNY-UONOGXRCSA-N 323.393 -0.750 30 20 DBED C#CCN1CCS(=O)(=O)[C@H](CCNC(=O)c2n[nH]cc2C)C1 1230462800 SXPHWZXVPDUSQX-GFCCVEGCSA-N 324.406 -0.430 30 20 DBED C#CCSCCNC(=O)C(=O)N1CCCC2(C1)OCCO2 1261092759 NWOLGKZQTHWOCW-UHFFFAOYSA-N 312.391 -0.166 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)N2CCC(CN)CC2)CCN1C1CC1 1261875299 BTIHAWJGSMKCNF-AWEZNQCLSA-N 319.409 -0.618 30 20 DBED C#Cc1ccc(C(=O)OCC(=O)N[C@H]2CCS(=O)(=O)C2)nc1 1318507118 JRCHZVULARIZRB-NSHDSACASA-N 322.342 -0.477 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N[C@@H]1CCc2nc(C)nn2C1 1322413213 CNNZFZRFDLGEGI-WDEREUQCSA-N 307.354 -0.665 30 20 DBED N#Cc1ccc(NC(=O)C(=O)N2CCN3C(=O)CC[C@H]3C2)nc1 1324952886 OQIQWLXYUXFGIU-NSHDSACASA-N 313.317 -0.275 30 20 DBED C[C@H](O)C[C@H]1COCCN1C(=O)C(=O)N(C)CC(C)(C)C#N 1325114326 GKEXIGVSGANXSW-RYUDHWBXSA-N 311.382 -0.007 30 20 DBED O=C(Cc1cncc(O)c1)NCCN/C(O)=C1\N=CC=CC1=O 1328161134 SHNUOZPQRQPLRI-CCEZHUSRSA-N 316.317 -0.028 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)NCc1nnc2n1CCC2 1330838035 UNGVSLJPJYPSIJ-UHFFFAOYSA-N 319.365 -0.661 30 20 DBED C=CCS(=O)(=O)CCn1nnnc1N1C[C@H](C)O[C@H](C)C1 1333246952 HGQGRYLOQSHRLT-PHIMTYICSA-N 315.399 -0.113 30 20 DBED CS(=O)(=O)CCNC(=O)C(=O)NCCc1ccc(C#N)cc1 1333996360 VDIMGFZDJMVEOV-UHFFFAOYSA-N 323.374 -0.622 30 20 DBED C#CCOCCn1nnnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1334393019 NDBFJQQIMXNKQT-QWHCGFSZSA-N 307.354 -0.293 30 20 DBED C=C(C)COCCn1nnnc1N1CC(S(=O)(=O)CC)C1 1335564014 IHOXJDQDFGAZMW-UHFFFAOYSA-N 315.399 -0.111 30 20 DBED C#CCSCCn1nnnc1N1CCO[C@@H](CNC(C)=O)C1 1335826431 IICQNQOTSICXFN-LBPRGKRZSA-N 324.410 -0.619 30 20 DBED C=CCn1c([C@H]2CNC(=O)C2)nnc1N1CC(=O)N(C)C[C@H]1C 1338785286 GUBCRSLNSXMUPW-GHMZBOCLSA-N 318.381 -0.266 30 20 DBED C=CCn1c(CCOC)nnc1N1C[C@H]2C(=O)N(C)C(=O)[C@H]2C1 1340263741 HLEDNZIVCXQCGO-PHIMTYICSA-N 319.365 -0.296 30 20 DBED C#CCN(CC)c1nnc(C2=NO[C@H](CO)C2)n1CCOC 1341235402 GYBVMLRCCBSDTK-NSHDSACASA-N 307.354 -0.131 30 20 DBED C#CCOCCn1nnnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1355799291 DDYWKRLQKFROLI-GFCCVEGCSA-N 319.369 -0.637 30 20 DBED C[C@H](NCC(N)=O)[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCO1 1369148718 NRZONWHRIZFNIS-CABZTGNLSA-N 305.338 -0.809 30 20 DBED C=C(Cl)CN1CC[C@@](O)(CNC(=O)CCn2cncn2)C1 1380517408 MXJBITINIQEGBN-CYBMUJFWSA-N 313.789 -0.026 30 20 DBED CCn1nncc1C(=O)N(CCNC(=O)[C@@H](C)C#N)CCOC 1383332098 SJCWLXKYHRPCSI-NSHDSACASA-N 322.369 -0.338 30 20 DBED C[C@@H](CNC(=O)[C@H](C)C#N)NC(=O)Cn1nnc2c1CCCC2 1387085006 IOYQHTQQCVSGSL-MNOVXSKESA-N 318.381 -0.063 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)[C@H]2CCN(C)C(=O)C2)CC1 1389966058 XXENMYFUYVEXGS-QWRGUYRKSA-N 306.366 -0.221 30 20 DBED CN(CCNC(=O)c1cc(C#N)c[nH]1)C(=O)C[C@H]1CCC(=O)N1 1397894516 SIOVIOMLCRPECV-LLVKDONJSA-N 317.349 -0.257 30 20 DBED C=C(Cl)CN1CC(CNC(=O)CN(C)S(C)(=O)=O)C1 1400468116 JJPWNRJQJHCFDJ-UHFFFAOYSA-N 309.819 -0.322 30 20 DBED C[C@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)CO[C@@H]1CCOC1 1416813397 VCPIGDDORODNNC-ZYHUDNBSSA-N 320.349 -0.074 30 20 DBED CC[C@H](C)NC(=O)CNC[C@@H](O)CNC(=O)c1cc(C#N)c[nH]1 1422291403 WLZNRBVHWLWIDA-CMPLNLGQSA-N 321.381 -0.519 30 20 DBED CC(=O)N[C@H](C)C(=O)N[C@H]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 1428167048 YYJUYCPBEKQTSO-GGZOMVNGSA-N 317.349 -0.212 30 20 DBED C[C@H](CC(N)=O)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 1433807095 HSCFNKOVFXMINQ-GHMZBOCLSA-N 316.365 -0.103 30 20 DBED CNC(=O)NCCC(=O)N[C@]1(C)CCN(C(=O)[C@H](C)C#N)C1 1453841675 AVXNPBARSXTOPP-QMTHXVAHSA-N 309.370 -0.428 30 20 DBED CCN(C)C(=O)CN1CCN(CCNC(=O)[C@@H](C)C#N)CC1 1479927918 BOISFXPRHZMFMG-ZDUSSCGKSA-N 309.414 -0.642 30 20 DBED C=C(Cl)CNC[C@@H](O)CNC(=O)c1cccn2nnnc12 1482732592 CRCZOZAVYWLULL-SECBINFHSA-N 310.745 -0.443 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H](C)CNC(=O)c1cc(C(N)=O)c[nH]1 1509040726 VZRZIXOOAOEPCP-RKDXNWHRSA-N 305.338 -0.150 30 20 DBED C#CC1(O)CCN(C(=O)N[C@@H](C)CS(=O)(=O)CC)CC1 1527475265 SHPKYOIBQWUXLI-NSHDSACASA-N 302.396 -0.021 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)CCNC(N)=O)CCCC1 1531631968 RTMVIEKQAYIYKZ-SNVBAGLBSA-N 309.370 -0.250 30 20 DBED C[C@@H](CNC(=O)c1cn(C)nn1)CNC(=O)c1cc(C#N)c[nH]1 1532176558 NEJJRTZAOTVMDL-SECBINFHSA-N 315.337 -0.189 30 20 DBED C=C(Cl)C[C@@H](NC(=O)C[C@H](NC(C)=O)C(N)=O)C(=O)O 1573306693 DCRLLDXMKAQEGC-JGVFFNPUSA-N 305.718 -0.922 30 20 DBED C#C[C@@H](CO)NCCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 1588327855 SGBGAHFULFFSBZ-NSHDSACASA-N 321.362 -0.776 30 20 DBED C#CCN(CC(=O)O)C(=O)C(=O)Nc1cnn(C)c1C1CC1 1588397624 OEZUWLOHKZOGAQ-UHFFFAOYSA-N 304.306 -0.218 30 20 DBED C=C(C)C[C@@H](CO)Nc1c(-c2nn[nH]n2)c(=O)n(C)c(=O)n1C 1588404206 FKYKPQVJJNKLNP-QMMMGPOBSA-N 321.341 -0.997 30 20 DBED CC[C@@H]1NCC[C@H]1C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[nH]1 1590526931 UUCDRENHYRTZBL-RQJHMYQMSA-N 301.314 -0.212 30 20 DBED N#Cc1nc(N)n(CC(=O)N2CCCCC2)c1-c1nn[nH]n1 1592705956 LDWLVXQSMNYOQV-UHFFFAOYSA-N 301.314 -0.470 30 20 DBED O=C(N[C@@H]1CCN(O)C1=O)c1cc(F)c(-c2nn[nH]n2)c(F)c1 1592988382 GOJINNKPVMRSBB-MRVPVSSYSA-N 324.247 -0.135 30 20 DBED Cc1cc(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O)ncc1C#N 1600097575 OZGQLOACDZPYKD-IUCAKERBSA-N 304.306 -0.031 30 20 DBED N#C[C@]1(F)CCN(C(=O)NCCC(=O)NCCC(=O)O)C1 1601057484 ZWADCJFGAKLSAG-GFCCVEGCSA-N 300.290 -0.385 30 20 DBED N#Cc1ncn(CC(=O)NC[C@H](Cc2ccncc2)C(=O)O)n1 1601135426 VNCKTTAXRIFFQE-NSHDSACASA-N 314.305 -0.396 30 20 DBED C#C[C@H](NC(=O)C(=O)Nc1ccn(CC(=O)O)n1)[C@H]1CCCO1 1602672575 OFJKAUPLCAZEEW-VHSXEESVSA-N 320.305 -0.797 30 20 DBED C#CCN(CC(=O)O)c1nnc(C[C@@H]2SCCNC2=O)n1C 1602700617 BETJSZLEVOYHJV-VIFPVBQESA-N 323.378 -0.887 30 20 DBED CC#CC[C@H](CO)NS(=O)(=O)c1cncc(-c2nn[nH]n2)c1 1602889397 IULKVSWBGQZIMV-SNVBAGLBSA-N 322.350 -0.686 30 20 DBED Cn1nnc(CNS(=O)(=O)c2ccc(C#N)cc2C(=O)O)n1 1608168127 UEJINMPPFZZCTC-UHFFFAOYSA-N 322.306 -0.742 30 20 DBED N#Cc1cc(F)c(S(=O)(=O)N2CC(O)(C(=O)O)C2)c(F)c1 1608197366 ZIWBJCUINDDXJC-UHFFFAOYSA-N 318.257 -0.344 30 20 DBED C=C(C)CN1CCC[C@@H](NC(=O)CNC(=O)CNC(C)=O)C1 1713784799 JSMMNGXQGOJUJJ-CYBMUJFWSA-N 310.398 -0.605 30 20 DBED O=C(C#CC1CC1)N[C@H]1CCN(C[C@@H](O)Cn2cccn2)C1 1713949984 BLVMHJVZMJGROF-LSDHHAIUSA-N 302.378 -0.152 30 20 DBED Cc1nc[nH]c1C(=O)N1[C@H]2CC[C@H]1CN(CC(=O)NCC#N)C2 1752567763 PDGCFJNKKMZDME-RYUDHWBXSA-N 316.365 -0.353 30 20 DBED CC#CCN[C@H]1C[C@H](NC(=O)CS(=O)(=O)CCOC)C1 1752641206 FFGAXQXHONIXPW-HAQNSBGRSA-N 302.396 -0.692 30 20 DBED C#Cc1cncc(C(=O)NC[C@H](C)NCCS(C)(=O)=O)c1 1752899766 SHTVINBCRCXULA-NSHDSACASA-N 309.391 -0.185 30 20 DBED C=CCNC(=O)[C@H](C)NC[C@@H]1CCN(C(=O)c2cnon2)C1 1752953227 CTMXGUNPHVQNGV-QWRGUYRKSA-N 307.354 -0.188 30 20 DBED N#CCNC(=O)CN1CCC[C@H]1CCCNC(=O)c1cnn[nH]1 1753031065 LSWMXXZETWHFRM-LLVKDONJSA-N 319.369 -0.581 30 20 DBED C=CCNC(=O)CNCCN(C)C(=O)c1cn2cccnc2n1 1753208476 WINAYDHHTAXSTE-UHFFFAOYSA-N 316.365 -0.307 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2CCO 1753427231 DQLFOEFAODVCCM-RYUDHWBXSA-N 310.398 -0.472 30 20 DBED C#CCNC(=O)CNC[C@](C)(NC(=O)c1cn[nH]c1)C1CC1 1753515132 VDQCIZFFNUYVGR-HNNXBMFYSA-N 303.366 -0.353 30 20 DBED C=CCNC(=O)CNC[C@@H]1[C@@H](C)CCCN1C(=O)CC(N)=O 1753806051 VBGYTOLAVPHNAE-NWDGAFQWSA-N 310.398 -0.619 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H](O)CNCc1nnc(C)s1 1753911213 MQOCJROQHLTHRZ-MWLCHTKSSA-N 312.395 -0.548 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H](O)CNCc2nc(O)n[nH]2)cc1 1753923126 CTINNJSAKGAECN-LBPRGKRZSA-N 315.333 -0.628 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CNC(=O)[C@H]1CCN(C)[C@@H]1CC 1754481690 ACXKTDHWHWAYCM-SOUVJXGZSA-N 320.437 -0.343 30 20 DBED C#CCN(C(=O)c1cnn[nH]1)C1CCN([C@H](C)C(N)=O)CC1 1754637895 CDNLFWPQGZZGEK-SNVBAGLBSA-N 304.354 -0.782 30 20 DBED C=CCN1CC(O)(CNC(=O)CCCn2ccccc2=O)C1 1754772028 USMNONMHWSODDF-UHFFFAOYSA-N 305.378 -0.023 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1COC2(C1)CN(Cc1nnnn1C)C2 1755063153 KEUCXYWQJANVND-NSHDSACASA-N 320.397 -0.118 30 20 DBED CC#CCN1CCC(CO)(NC(=O)c2ccc(C(N)=O)[nH]2)CC1 1755181657 WAMOLPVWASMGQB-UHFFFAOYSA-N 318.377 -0.306 30 20 DBED N#CCNCC1CC(NC(=O)[C@@H]2CCc3nnc(O)n3C2)C1 1755213538 KMEWRQAOBNDIQW-HSOILSAZSA-N 304.354 -0.446 30 20 DBED CN(C[C@@H](O)CNCC#N)C(=O)CNC(=O)c1ccc(F)cc1 1755797278 YJNBJSZHRGOQDW-ZDUSSCGKSA-N 322.340 -0.512 30 20 DBED CC(C)C#CC(=O)N[C@H](C)C1CN(C(=O)[C@@H]2CN(C)C(=O)N2)C1 1756151472 ZOIQVWDKOPOWEN-YPMHNXCESA-N 320.393 -0.368 30 20 DBED C#CCCCC(=O)N[C@H](CO)CNC(=O)C1CCC(O)CC1 1756515040 DMUXTDMINZCGRK-MOKVOYLWSA-N 310.394 -0.066 30 20 DBED CCOc1nc(C(=O)NC[C@@H](CO)NC(=O)C#CC2CC2)co1 1756534979 GMIRHULIPARGQK-NSHDSACASA-N 321.333 -0.306 30 20 DBED CC(C)C#CC(=O)N(C)C[C@@H](O)CNC(=O)C[C@H]1COC(=O)C1 1756662363 KOZNTVGSLPQEOH-OLZOCXBDSA-N 324.377 -0.466 30 20 DBED C#CCCCCC(=O)N1CC[C@]2(CN(C(=O)CN)CCO2)C1 1784197546 IWGKYAPJIQAODA-MRXNPFEDSA-N 307.394 -0.031 30 20 DBED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)CN)CCO2 1785423502 XDHMSLWNUNAZDV-BBRMVZONSA-N 307.394 -0.176 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccnc1C)C2 1800455633 KHBHJAAUCKDGFB-YWVIFJGQSA-N 316.361 -0.586 30 20 DBED C[C@H](S)C(=O)N1CCCC12CN(C(=O)c1ncn(C)n1)C2 1846367406 QVWQQKCHXQWPSJ-VIFPVBQESA-N 309.395 -0.050 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)[C@H](C)NC(=O)c1ccco1 5230319 FUVQLPKOEBXIRT-VIFPVBQESA-N 323.305 -0.047 30 20 DBED C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCCCCC#N 87300263 JCLSLKHCIBTBHA-JTQLQIEISA-N 313.383 -0.103 30 20 DBED CNS(=O)(=O)[C@H]1CCN(CCC(=O)N(C)CCC#N)C1 92806456 FBSORADEKZMCDD-NSHDSACASA-N 302.400 -0.628 30 20 DBED Cc1nn(C)c(C)c1CN1CCN(CC(=O)NCC#N)CC1 108867637 QEQIMLQDERZNNE-UHFFFAOYSA-N 304.398 -0.206 30 20 DBED COC(=O)[C@]1(C)CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)C1 268286086 CHHWUWKDOAWQDW-CQSZACIVSA-N 306.322 -0.655 30 20 DBED C[C@](CO)(CNS(=O)(=O)c1ccc(C#N)nc1)CC(=O)O 275530876 BUOGFDXOACKJFE-GFCCVEGCSA-N 313.335 -0.295 30 20 DBED C#C[C@@H](NC(=O)NCCNS(=O)(=O)NC(C)C)C(C)C 281465640 SZNWVRIHBCIEAG-LLVKDONJSA-N 304.416 -0.224 30 20 DBED N#Cc1ncn(CCNc2cc(N3CCOCC3)ncn2)n1 286214997 BSMWCLLAGADXID-UHFFFAOYSA-N 300.326 -0.112 30 20 DBED C[C@H](O)CN1CCN(C(=O)NCCn2cnc(C#N)n2)[C@H](C)C1 287821016 JZZVZAJUJHRGSF-NEPJUHHUSA-N 321.385 -0.754 30 20 DBED C#CCOc1ccccc1NC(=O)C(=O)N(C)[C@@H]1COC[C@H]1O 289234265 WNEKRMIFJVYXIA-CHWSQXEVSA-N 318.329 -0.145 30 20 DBED CS(=O)(=O)N1CC[C@H](C/N=C(/O)N2CCC[C@H]2CO)C1 328751914 RTADRJUGSWWJSC-MNOVXSKESA-N 305.400 -0.361 30 20 DBED Cn1c(=O)nc(O)c2cc(/C(O)=N/C[C@H]3COCCO3)cnc21 328926401 FFXVWRQNZYSADK-VIFPVBQESA-N 320.305 -0.246 30 20 DBED CN1CCO[C@H]2CN(S(=O)(=O)c3cncc(C#N)c3)C[C@@H]21 329777972 KUKJCEWHOSUCQI-STQMWFEESA-N 308.363 -0.343 30 20 DBED COC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1/C(O)=N/C(C)C 330738373 NXTHSHLKMCFDLU-UWVGGRQHSA-N 301.343 -0.577 30 20 DBED C[C@H](O)CN(/C(O)=N/CC(=O)N1CCCCC1)[C@H](C)CO 331289960 OLFWQJPJKNZGGP-NEPJUHHUSA-N 301.387 -0.024 30 20 DBED N#Cc1cccc(S(=O)(=O)N2CC[C@H]3OCC(=O)N[C@@H]3C2)c1 333525310 XAHJJNPSZOFXFP-CHWSQXEVSA-N 321.358 -0.164 30 20 DBED C=CCN([C@H]1CCS(=O)(=O)C1)[C@@H](C)C(=O)NC(=O)NCC 334091866 MFZQIIQZLSYREP-QWRGUYRKSA-N 317.411 -0.104 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)NC[C@H]1CCCS1(=O)=O 336940854 JKWAWRVPBXAUCK-VHSXEESVSA-N 309.413 -0.511 30 20 DBED C=CCn1c(C)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 337820520 RNCJZRYVLPLZJZ-UHFFFAOYSA-N 317.357 -0.892 30 20 DBED CCOC(=O)[C@@H]1CC[C@@H](C(=O)OCC)N1CC(=O)NCC#N 338327276 YUCXUTIHFKNFEN-QWRGUYRKSA-N 311.338 -0.415 30 20 DBED CN(C)C(=O)[C@@H]1CC[C@H](CNS(=O)(=O)CCCC#N)O1 341208738 ZLUVNNFASREIME-MNOVXSKESA-N 303.384 -0.155 30 20 DBED C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)nc2)C[C@H](C(N)=O)O1 347824824 LYWNGDXFIBSZQW-LDYMZIIASA-N 310.335 -0.783 30 20 DBED C=C[C@@H](CO)NC(=O)NCc1ccc(S(N)(=O)=O)s1 358458635 AERBNZLFEVZAFB-ZETCQYMHSA-N 305.381 -0.258 30 20 DBED C=C[C@H](CO)NC(=O)NCCNS(=O)(=O)c1cccnc1 358834740 STSPKDVRAJNZCD-SNVBAGLBSA-N 314.367 -0.794 30 20 DBED CC(C)NC(=O)C(=O)N1CCN(C(=O)[C@H](N)CCCC#N)CC1 424068458 ZEZCNWGXSQEMMH-GFCCVEGCSA-N 323.397 -0.797 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CCO[C@H](C)C2)CC1 491095461 LAPMEZMJGJPOOR-KGLIPLIRSA-N 307.394 -0.305 30 20 DBED C#CCN1CCN(S(=O)(=O)N2CCOC(C)(C)C2)CC1 491145792 MGZLWJMXUHVJCC-UHFFFAOYSA-N 301.412 -0.407 30 20 DBED CCOC(=O)N1CCN(S(=O)(=O)N[C@@H](C)CC#N)CC1 491416169 GEKLWZBYFSBZIB-JTQLQIEISA-N 304.372 -0.103 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]c(C#N)n1)c1ccnc(C#N)n1 515433032 PLZYPQDJQFPVEP-SNVBAGLBSA-N 310.321 -0.659 30 20 DBED CC[C@](C)(C#N)NC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 520507562 GVZGZTUAEXSUME-CZUORRHYSA-N 322.409 -0.024 30 20 DBED CC(C)[C@@H](C#N)NC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C 546011557 XAOXXBQMYMGQQY-SNVBAGLBSA-N 317.349 -0.146 30 20 DBED Cc1cc(NC(=O)CSCC(=O)N[C@]2(C#N)CCOC2)no1 548139145 GADWCULZJMMBJN-ZDUSSCGKSA-N 324.362 0.454 30 20 DBED Cc1ccc(CCNS(=O)(=O)N2CCO[C@H](C#N)C2)cn1 548766705 FNTNNEGZNFKPSA-CYBMUJFWSA-N 310.379 -0.009 30 20 DBED CS(=O)(=O)N1CCN(Cc2cnc3c(C#N)cnn3c2)CC1 550153798 YOFFQQQEXHBLGW-UHFFFAOYSA-N 320.378 -0.322 30 20 DBED CNS(=O)(=O)NC1CCN(C(=O)C2(C#N)CC(C)C2)CC1 565095436 XUXXACOJSYWXFI-UHFFFAOYSA-N 314.411 -0.029 30 20 DBED CN(CCC#N)C[C@@H](O)CNC[C@H]1CCCN1S(C)(=O)=O 577622935 YGUXHXCRGVRMJH-OLZOCXBDSA-N 318.443 -0.794 30 20 DBED N#Cc1ccc(OC[C@H](O)CN[C@]2(C(N)=O)CCOC2)cc1 578203346 PESVIYMYOATUKC-IUODEOHRSA-N 305.334 -0.468 30 20 DBED C[C@@H](O)CN1CCN(C(=O)Nc2nn(C)cc2C#N)[C@H](C)C1 585797427 XDVIBDJAYVLMIA-GHMZBOCLSA-N 306.370 0.211 30 20 DBED COC(=O)[C@@H]1C[C@H](O)CN(S(=O)(=O)N(C)C[C@@H](C)C#N)C1 592120560 YWCNKXFUSZBLLA-AXFHLTTASA-N 319.383 -0.822 30 20 DBED N#Cc1ccc(CC(=O)NCCOCCS(N)(=O)=O)cc1 598734696 JZRQKMOGKXBAFY-UHFFFAOYSA-N 311.363 -0.478 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)c2ccn3nnnc3c2)C1=O 614395080 XUXYEGGEPPYJJB-LLVKDONJSA-N 300.322 -0.017 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCS[C@@H]2C)C1=O 648684537 BMXHVKNBAIWNNB-RKDXNWHRSA-N 311.363 -0.027 30 20 DBED COC(=O)c1ccc(C=NN=c2nc3[nH][nH]cc-3c(O)n2)[nH]1 747631992 ZIFXIGKTCZRODI-UHFFFAOYSA-N 301.266 -0.007 30 20 DBED CNC(=O)CNC(=S)NN=Cc1cc(O)ccc1[N+](=O)[O-] 751132516 FSCFMFCUNBBDKS-UHFFFAOYSA-N 311.323 -0.156 30 20 DBED C#C[C@H](NS(=O)(=O)c1cc(C(N)=O)n(C)c1)[C@@H]1CCCO1 773059134 VRWRDXKMLOGDFD-JQWIXIFHSA-N 311.363 -0.417 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N[C@H]1CCC[C@H]1C(=O)NC 783017507 UZMBNSYRVGZJMT-MNOVXSKESA-N 317.411 -0.199 30 20 DBED N#Cc1ccc(C(=O)OCC(=O)N2CCCC[C@H]2C(N)=O)[nH]1 786086131 BQKGYNDCUBPQHL-NSHDSACASA-N 304.306 -0.090 30 20 DBED C#CCNC(=O)COC(=O)[C@H]1CCCN1C(=O)C(F)(F)F 786588391 MSPXYAQLOUHJRJ-MRVPVSSYSA-N 306.240 -0.168 30 20 DBED CN(CC(C)(C)O)C(=O)C(=O)NCCNc1ncccc1C#N 787758167 HYVQQQLDNPQACO-UHFFFAOYSA-N 319.365 -0.289 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N(C)CCS(C)(=O)=O 800044726 PKDPGSFFKWNHAI-JTQLQIEISA-N 311.429 -0.311 30 20 DBED C#CCOCCNC(=O)N1C[C@@H](C(=O)OCC)C2(COC2)C1 836396629 KFFSWHXYCATUHL-LBPRGKRZSA-N 310.350 -0.143 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N1CCn2cnnc2[C@H]1C 875596814 UGWAYDHOYKQDFE-VXGBXAGGSA-N 319.365 -0.274 30 20 DBED CCOCCCNC(=O)[C@H](C#N)C(=O)c1c[nH]c(C(N)=O)c1 917423378 WOSXKABGYDAJQG-SNVBAGLBSA-N 306.322 -0.021 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@@H](NC(=O)[C@@H]2CN(C)C(=O)N2)C1 942012543 OKVINGQKMVRYFP-MNOVXSKESA-N 308.382 -0.061 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)C(N)=O)[C@@H](C)C2)cn1 945428946 LQXKWCXXZHFJBW-GWCFXTLKSA-N 314.345 -0.485 30 20 DBED C#CCN1CC[C@@H](NC(=O)CN2CCN(C)C(=O)C2)C[C@H]1C 947463105 APXMPMVZNGTBNE-ZIAGYGMSSA-N 306.410 -0.637 30 20 DBED N#CCN1CCC2(CC1)CN(C(=O)CN1CCOCC1)CCO2 949071860 FRFXYICXXSGLIF-UHFFFAOYSA-N 322.409 -0.464 30 20 DBED Cc1ncnc(O)c1C(=O)NC[C@@H]1CCN1C(=O)[C@@H](C)C#N 951680918 WSGHEIWPQYBLTA-WPRPVWTQSA-N 303.322 -0.019 30 20 DBED C[C@@H](C#N)C(=O)N1CCCC[C@@]2(CCN(C(=O)C(N)=O)C2)C1 956566133 VEWSVAVZGFYDDP-XHDPSFHLSA-N 306.366 -0.137 30 20 DBED CC#CCN1C[C@H](CNC(=O)c2nc(C)c(C)nc2O)[C@@H](O)C1 958179221 KBKCNLLAZBKPIO-STQMWFEESA-N 318.377 -0.155 30 20 DBED C=CCN1C[C@@H](O)[C@H](CNC(=O)c2nc(OC)cc(OC)n2)C1 958184267 XRPQAUZFCTZZOO-GHMZBOCLSA-N 322.365 -0.298 30 20 DBED C=CCCN1C[C@@H](O)[C@@H](CNC(=O)c2cc(C(N)=O)co2)C1 958403428 FHKLSIJAKDDKDJ-NWDGAFQWSA-N 307.350 -0.023 30 20 DBED C=CCN1C[C@@H](O)[C@@H](CNC(=O)C2CCS(=O)(=O)CC2)C1 958445251 VZHSSBLEQRUAEK-QWHCGFSZSA-N 316.423 -0.594 30 20 DBED C#CCN1CCC(C(=O)NC[C@H]2CN(CCCO)C[C@H]2O)CC1 958724874 USICKYGSEDQUAZ-JKSUJKDBSA-N 323.437 -0.877 30 20 DBED CC#CCN1C[C@H]2[C@H](NC(=O)[C@@H]3Cc4cncn4C(=O)N3)[C@H]2C1 961315747 USJUMJVRGRZERK-RFQIPJPRSA-N 313.361 -0.565 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@H](NC(=O)c2cc[n+]([O-])cc2)C1 961376467 VXVOOCVEIXMKCI-OLZOCXBDSA-N 319.361 -0.166 30 20 DBED C=CCNC1CC2(C1)CC(NC(=O)C[C@@H]1NC(=O)NC1=O)C2 963961206 LJOHPLJQIHQBDT-RUIJOYPPSA-N 306.366 -0.213 30 20 DBED CC1(C)CN(C(=O)c2cc(C#N)c[nH]2)CC[C@@H]1NC(=O)C(N)=O 967117912 QRWBIKWIEXRMQU-NSHDSACASA-N 317.349 -0.271 30 20 DBED CC#CCN1CC[C@@H](C)[C@H](NC(=O)CN2CC(=O)N(C)C2=O)C1 968538804 LDTNPBPZJIHAMV-CHWSQXEVSA-N 320.393 -0.270 30 20 DBED COc1cccnc1C(=O)N[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1O 969399740 PRXUXPUHQNWAID-MXWKQRLJSA-N 318.333 -0.449 30 20 DBED CN(Cc1nnnn1C)[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 971293267 ZONUMYGLEVRCOQ-NSHDSACASA-N 314.353 -0.244 30 20 DBED CC#CCN1CCO[C@@]2(CCN(C(=O)[C@H]3CCCNC3=O)C2)C1 972420358 SUYQGGQHXDBQSQ-YOEHRIQHSA-N 319.405 -0.161 30 20 DBED Cn1nncc1C(=O)N[C@H]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 974049434 NXBJBJZSKGHWFE-AOOOYVTPSA-N 313.321 -0.294 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NCC1[C@H]2CN(CC(N)=O)C[C@H]12 978166196 KOTJMKBHGCSYCW-ZRJCITRHSA-N 307.394 -0.253 30 20 DBED C#CCN1CCCN(C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)CC1 981154809 XOQISUVJBAYWIP-CYBMUJFWSA-N 315.377 -0.070 30 20 DBED Cn1nnc(C(=O)NC[C@@H]2CCN(C(=O)C#CC3CC3)C2)n1 982739507 NUWMWPMUHSGVIG-NSHDSACASA-N 302.338 -0.798 30 20 DBED C#CCN[C@H]1CCN(C(=O)Cn2ncn3nccc3c2=O)[C@@H]1C 987114291 WNJUEBKUUBIVGX-NEPJUHHUSA-N 314.349 -0.897 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](CN(C)C(=O)c2cnn(C)n2)C1 988284288 JNMYVRPQDLHACB-MNOVXSKESA-N 304.354 -0.105 30 20 DBED N#Cc1cc(C(=O)NC2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c[nH]1 990931409 RZPSLXJRXKXOSO-GHMZBOCLSA-N 303.278 -0.508 30 20 DBED CC1(C)CN(C(=O)[C@H]2CCS(=O)(=O)N2)C[C@@H]1NCC#N 996643188 NNZIOUASDACHRD-ZJUUUORDSA-N 300.384 -0.972 30 20 DBED N#CCNC1CCN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)CC1 997099521 ANGPPMJEKNTWIO-UHFFFAOYSA-N 315.337 -0.825 30 20 DBED CC(C)(C(N)=O)C(=O)N1CC(CNC(=O)c2c[nH]c(C#N)c2)C1 1001509056 MOYAQBGBEQSECE-UHFFFAOYSA-N 317.349 -0.414 30 20 DBED O=C1NCCC[C@@H]1C(=O)N1CCN(C(=O)C#CC2CC2)CC1 1011109873 CVMHPURXORXFLC-ZDUSSCGKSA-N 303.362 -0.403 30 20 DBED C[C@]1(C(=O)NC2[C@H]3CN(C(=O)C#CC4CC4)C[C@H]23)CCNC1=O 1013790183 BJPCCNLFGJHUGW-PRXAMGSTSA-N 315.373 -0.501 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2nncn2C)C1 1014769262 JUZZZKXWHNHVJM-KBPBESRZSA-N 316.409 -0.397 30 20 DBED CC#CCN1CCC2(CC1)C[C@H]2NC(=O)[C@@H]1CC(=O)NC(=O)N1 1016858655 HPSCYNNLOGDHPX-NWDGAFQWSA-N 318.377 -0.422 30 20 DBED C=CCN1CC[C@H](N[C@H]2CCN(C(=O)Cc3nc[nH]n3)C2)C1=O 1019629476 MXOQHBFJFDHFRT-RYUDHWBXSA-N 318.381 -0.675 30 20 DBED C[C@H]1[C@@H](NC(=O)[C@H]2CN(C)C(=O)N2)CCN1C(=O)C#CC1CC1 1020248202 MRRYPDKBLFHQFL-WCFLWFBJSA-N 318.377 -0.471 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]2CN(C(=O)Cn3cnnc3O)C[C@H]21 1022565422 WFVXZWIYYPENRZ-GARJFASQSA-N 318.337 -0.797 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2nc[nH]n2)C1 1025742146 YMNSGNLPVJTYDK-NXEZZACHSA-N 307.354 -0.753 30 20 DBED C=CCN1CC[C@@H](N2CCC[C@@H]2CNC(=O)c2cnn[nH]2)C1=O 1027991430 CLBSRJCLVOCIPT-DGCLKSJQSA-N 318.381 -0.214 30 20 DBED CC#CCN1CCC[C@H]1CNC(=O)[C@H]1COCCN1C(C)=O 1028327121 UFJVWDZCESLVPA-LSDHHAIUSA-N 307.394 -0.162 30 20 DBED C#CCCN1CC[C@H](CNC(=O)[C@H]2CC(=O)N(CCOC)C2)C1 1028578053 JMGIVSYPSIIAHX-CABCVRRESA-N 321.421 -0.057 30 20 DBED CC#CCN1[C@H]2CC[C@H]1CN(C(=O)C1CC(=O)NC(=O)C1)C2 1029514626 WKHZWCMXOHDKEG-STQMWFEESA-N 303.362 -0.262 30 20 DBED C#CCN1CC[C@@H](N(CC)C(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 1033905229 GKNSJYOXOFJEBM-OCCSQVGLSA-N 315.377 -0.079 30 20 DBED C#CCCN1CCCC[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C1 1034531195 JGCQFHVVJDSYLX-QWHCGFSZSA-N 313.423 -0.328 30 20 DBED N#CCN1CCO[C@H](CNC(=O)c2cnn3ncccc23)C1 1035398781 YTWAJKAQIFUFQD-LLVKDONJSA-N 300.322 -0.317 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)c2cnn3c(=O)cc[nH]c23)C1 1035535535 HUFDIBBRJQHLBS-NSHDSACASA-N 315.333 -0.914 30 20 DBED C[C@H]1CN(C(=O)C#CC2CC2)CC[C@H]1NCc1nnnn1C 1036032313 XQKSYPFRUSQWCK-WCQYABFASA-N 302.382 -0.050 30 20 DBED Cc1nc(C(=O)N[C@H]2[C@H]3C[C@H]2N(CC#N)C3)nn1-c1nc[nH]n1 1037535218 DIDYAPDFEGWUTK-AEJSXWLSSA-N 313.325 -0.980 30 20 DBED C=CCCC(=O)N1CC[C@](O)(CNC(=O)[C@H]2CCNC2=O)C1 1040486438 UEXSAPDENBNUKV-NHYWBVRUSA-N 309.366 -0.832 30 20 DBED O=C(C#CC1CC1)N1CC[C@](O)(CNC(=O)[C@]2(F)CCOC2)C1 1040649785 BEGHNNGLCMFFTP-HOTGVXAUSA-N 324.352 -0.392 30 20 DBED C=CCCC(=O)N1CC[C@@](O)(CNC(=O)CCn2cnnn2)C1 1040686195 HETWWDHWEKZRGM-CQSZACIVSA-N 322.369 -0.891 30 20 DBED Cc1nnsc1C(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1041419233 GOKWIIYXCFIUBH-UHFFFAOYSA-N 320.374 -0.437 30 20 DBED CS[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2ccc(C#N)[nH]2)C1 1041614810 BGWQLKCGEIXCFD-VIFPVBQESA-N 322.390 -0.059 30 20 DBED COCCC(=O)N1CC(O)(CNC(=O)c2c[nH]c(C#N)c2)C1 1042669325 LADCELGZNSEZFF-UHFFFAOYSA-N 306.322 -0.774 30 20 DBED C#CCNC(=O)CC(=O)NCC1(O)CN(C(=O)C(C)(C)CC)C1 1042675130 UVZLLCOOXMHJIH-UHFFFAOYSA-N 323.393 -0.748 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCC(=O)NC2)C1 1042806081 XPHCLJQXWUVDKY-GFCCVEGCSA-N 321.377 -0.994 30 20 DBED O=C(C#CC1CC1)NCC1(O)CN(C(=O)CCn2cccn2)C1 1042958101 FDOMCRMJSJJAKY-UHFFFAOYSA-N 316.361 -0.624 30 20 DBED C#Cc1ccc(C(=O)N2CC(O)(CNC(=O)C#CC3CC3)C2)cn1 1042961312 TUNGIWHBZOSBJT-UHFFFAOYSA-N 323.352 -0.221 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)c2nocc2C)C1 1043035764 DEZUAHJBOGVZDG-UHFFFAOYSA-N 321.333 -0.674 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2C2CC2)C1 1043037020 XHWRBLCIQMCYJB-UONOGXRCSA-N 320.389 -0.238 30 20 DBED C=CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2cccnn2)C1 1043570391 HRQXLAPCOGWBBC-NSHDSACASA-N 320.349 -0.629 30 20 DBED C=CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)C2=CCOCC2)C1 1043570443 IMWUFGULCQFLLS-GFCCVEGCSA-N 324.377 -0.386 30 20 DBED C=CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)[C@@]23COC[C@@H]2C3)C1 1043576170 OFZIGVFJGLFTQM-WQGACYEGSA-N 324.377 -0.697 30 20 DBED C#Cc1ccc(C(=O)NCC2(O)CN(C(=O)COC)C2)cn1 1044254862 JKTZDQCLMQZDEH-UHFFFAOYSA-N 303.318 -0.988 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCO2)C1 1048697590 VWZDRSBFYSWJGQ-RFGFWPKPSA-N 324.377 -0.766 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CN(CCN3C(=O)CCC3=O)C[C@@H]2C1 1048724980 MDOBMDIPWMGMKM-RWMBFGLXSA-N 318.377 -0.315 30 20 DBED C=CCCn1cc(C(=O)N2C[C@@H]3CN(CC(N)=O)C[C@@H]3C2)nn1 1049107231 AEBJTSQIWCLEHY-TXEJJXNPSA-N 318.381 -0.657 30 20 DBED N#CCN1C[C@H]2CN(C(=O)[C@H]3CCc4nn[nH]c4C3)C[C@H]2C1 1049170272 KUEKOTMOJRMQEL-SDDRHHMPSA-N 300.366 -0.177 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C[C@@H]1O 1049407128 CFTNKVDBBWLOPX-DIURFFJMSA-N 307.350 -0.931 30 20 DBED CCC(=O)N1CCC[C@H](C(=O)NC[C@@H]2COCCN2CC#N)C1 1050931858 QTOXOSGLNQHHQC-UONOGXRCSA-N 322.409 -0.024 30 20 DBED C#CCCN1CCOC[C@@H]1CNC(=O)c1ccc(C(N)=O)[nH]1 1051117764 IZHLBTUMFJABTI-NSHDSACASA-N 304.350 -0.433 30 20 DBED C#CCOCCC(=O)N[C@@H](C)[C@H]1CCN(C(=O)c2cnn[nH]2)C1 1051127396 BBUPLYCJSIFSJA-RYUDHWBXSA-N 319.365 -0.189 30 20 DBED CNC(=O)CN1CCN([C@@H]2CCN(C(=O)[C@H](C)C#N)C2)CC1 1051998020 MRFQJVUBFOWBLZ-CHWSQXEVSA-N 307.398 -0.889 30 20 DBED C[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1CNC(=O)c1cnn[nH]1 1053243362 KADBNQBQSJIMOZ-NXEZZACHSA-N 312.337 -0.031 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCOC2(CN(CC(=O)NC)C2)C1 1053437582 XYAONQDUPPLFLQ-OLZOCXBDSA-N 323.393 -0.763 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1COC2(C1)CN(CCO)C2 1053952947 HEVUNEJPUWYHKQ-RDBSUJKOSA-N 310.394 -0.081 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)[C@H]3CCN(C(C)=O)C3)CO2)C1 1053995036 SOYRFZWGZRAZTK-LSDHHAIUSA-N 319.405 -0.162 30 20 DBED COCC(=O)N1CCC[C@@](CO)(NC(=O)c2ccc(C#N)[nH]2)C1 1055888785 BSPRUGUAEUKCLW-OAHLLOKOSA-N 320.349 -0.384 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@](CO)(NC(=O)c2ccn(C)n2)C1 1055955066 YJZUOKDOJQKQLG-ABAIWWIYSA-N 319.365 -0.337 30 20 DBED Cc1c[nH]c(C(=O)N[C@@]2(CO)CCCN(C(=O)[C@H](C)C#N)C2)n1 1055963569 SPRMJXCNFQPOKC-BMIGLBTASA-N 319.365 -0.039 30 20 DBED Cn1ncc(C(=O)NC2[C@@H]3CN(c4cnc(C#N)cn4)C[C@@H]23)c1N 1056177014 ZRPKFNYXPTUXRU-GHMZBOCLSA-N 324.348 -0.471 30 20 DBED N#Cc1cnc(N[C@@H]2CCN(C(=O)CN3CCCC3=O)C2)cn1 1056579817 SMBMXHCIIMDZBD-LLVKDONJSA-N 314.349 -0.017 30 20 DBED CN(c1nccnc1C#N)[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1 1056947384 BRAKDNNYVSLLFN-MNOVXSKESA-N 314.349 -0.336 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)[C@H](C)SC 1057054148 SWNFAJCSARNTJL-NSHDSACASA-N 304.412 -0.122 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)CCc1nc[nH]n1 1057298554 QOMRABDCEJKSLT-UHFFFAOYSA-N 309.370 -0.359 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)CN(C)C1CCC1 1057903540 NYRNEKWYXVXBJY-LBPRGKRZSA-N 310.398 -0.433 30 20 DBED Cn1ncc(C(=O)N[C@@H]2CCCN(c3ccnc(C#N)n3)C2)n1 1058175312 IRKJIRGBBUXGTK-SNVBAGLBSA-N 312.337 -0.124 30 20 DBED N#Cc1ccc(N2CCC[C@@H](NC(=O)[C@H]3CNC(=O)N3)C2)nc1 1058231972 XYFGXXYFIPBANN-VXGBXAGGSA-N 314.349 -0.280 30 20 DBED C=CC(C)(C)C(=O)N(CCO)CCNC(=O)[C@H](C)n1cncn1 1058302397 RSLJUUJFCWYGON-LBPRGKRZSA-N 323.397 -0.012 30 20 DBED C#CCCCCC(=O)NCCN(CCO)C(=O)c1cnon1 1058510384 QUULJBNBPKPWFQ-UHFFFAOYSA-N 308.338 -0.186 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)Cc1cncn1C 1061723053 QAFZVVKGYJASGZ-DGCLKSJQSA-N 319.365 -0.534 30 20 DBED N#Cc1nccc(N2C[C@@H]3C[C@H]2CN3C(=O)Cn2cncn2)n1 1062490922 WHXHRKQIASSTRF-QWRGUYRKSA-N 310.321 -0.571 30 20 DBED C=CCCO[C@H](C)C(=O)NC[C@H]1CN(C(=O)COC)CCO1 1064752241 AENYZMLIRLTWRV-OLZOCXBDSA-N 314.382 -0.042 30 20 DBED C=CCCC(=O)N1CCO[C@@H](CNC(=O)C2(C(N)=O)CC2)C1 1064957684 OITUJWRQDKPXJO-NSHDSACASA-N 309.366 -0.438 30 20 DBED C=CC(C)(C)C(=O)NC[C@H]1CN(C(=O)c2ncn(C)n2)CCO1 1065116391 UMQRDOBPUSGDRA-NSHDSACASA-N 321.381 -0.016 30 20 DBED C[C@@H]1CN(C(=O)CC(N)=O)C[C@@H]1CNc1nccnc1C#N 1065828164 FWLGXYHIOPKEOD-ZJUUUORDSA-N 302.338 -0.270 30 20 DBED N#Cc1cncc(N2CCOC[C@@H]2CNC(=O)c2cnn[nH]2)n1 1066532127 XCBRLRDMCKZKTQ-JTQLQIEISA-N 314.309 -0.898 30 20 DBED C[C@@H]1[C@H](Nc2cncc(C#N)n2)CCN1C(=O)c1nnn(C)n1 1068932822 XZLDYBFUWGCZGC-PSASIEDQSA-N 313.325 -0.413 30 20 DBED Cc1cc(=NC[C@@H]2CC[C@@H](NC(=O)C(N)=O)C2)c(C#N)c[nH]1 1069505699 QIIFDMIHGNEOTQ-ZYHUDNBSSA-N 301.350 -0.134 30 20 DBED CN1CCCC[C@H]1C(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1 1069959457 WLLOSSSOFUTXON-RDBSUJKOSA-N 317.397 -0.373 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)Cn2ccnc2C)C1 1070095017 QCOMINTXPJRSRA-KGLIPLIRSA-N 313.365 -0.542 30 20 DBED C=CCN[C@@H]1CN(C(=O)c2cnn(CC)n2)C[C@@H]1n1ccnn1 1070190211 SRQCGWNMMVMILV-OLZOCXBDSA-N 316.369 -0.269 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCCN(C(=O)[C@H]2CCCO2)C1 1070393237 WGQOMJMQAGZBSI-CHWSQXEVSA-N 321.377 -0.588 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)c4cnnc(O)c4)C[C@@]3(C1)O2 1070813081 HUXZKGMOCNZPEW-WOSRLPQWSA-N 314.345 -0.269 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)c2n[nH]c(C)c2O)CC1 1070954932 BZHZTOZNODJGAH-UHFFFAOYSA-N 319.365 -0.679 30 20 DBED N#CCN1CCNC(=O)CCN(C(=O)CCn2ccnc2)CC1 1070983784 FTPWWLGHWGFPMF-UHFFFAOYSA-N 318.381 -0.553 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)C2CCN(C)CC2)CC1 1070994965 LAXYXGDCAWBFDO-UHFFFAOYSA-N 320.437 -0.388 30 20 DBED C#CCN1CC[C@@]2(C1)CN(C(=O)c1cnn(C)n1)C[C@@H](C)O2 1071220565 HTXCLFSVYZIDPF-IUODEOHRSA-N 303.366 -0.246 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(C(=O)CN(C)C(C)=O)C[C@@H]1C 1071662723 XLHUCCJQIHNFGP-GXTWGEPZSA-N 323.393 -0.532 30 20 DBED C[C@@H]1CN(C(=O)CSCC#N)C[C@@H]1NC(=O)C1(C(N)=O)CC1 1071662982 ZAYDMFIMMZMDMY-ZJUUUORDSA-N 324.406 -0.528 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](NC(=O)CCCOC)[C@H](C)C1 1071932919 OTWLPBUEHKDNCR-CHWSQXEVSA-N 323.393 -0.484 30 20 DBED C#CCN1CCC2(C1)CN(C(=O)Cn1nc(C)n(C)c1=O)C2 1073158370 VMURLBBIJOKLEQ-UHFFFAOYSA-N 303.366 -0.942 30 20 DBED C#CCOCCC(=O)NC1(C)CCN(C(=O)c2nc[nH]n2)CC1 1073190353 IZBJXZOUUIXZTR-UHFFFAOYSA-N 319.365 -0.045 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)c2cnn(C)c2OC)C1 1073870781 BSRGMWONGBGDPV-LBPRGKRZSA-N 306.366 -0.117 30 20 DBED C=CCN1CCO[C@H]2CCN(C(=O)c3cc(=O)n(C)cn3)C[C@@H]21 1074269778 YSKXPMNCOCIFLZ-KBPBESRZSA-N 318.377 -0.118 30 20 DBED C=CCN1CCO[C@H]2CCN(C(=O)c3cn(C)c(=O)cn3)C[C@H]21 1074302215 NAMDMBVWGMVGFI-KGLIPLIRSA-N 318.377 -0.118 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H](C)CCNC(=O)CNC(=O)OC 1075766160 XTPLWSNRXOVUQX-QWRGUYRKSA-N 315.370 -0.056 30 20 DBED Cn1nccc1CN1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 1076907219 FULVUTJJRYAQJH-ZIAGYGMSSA-N 314.349 -0.405 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)c2nc(C)c(C)[nH]c2=O)C1 1077210690 MDQIEURWEWGCOU-VXGBXAGGSA-N 304.350 -0.815 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCCC(=O)N2)C1 1077351987 BCNUACNJIJNVRY-IJLUTSLNSA-N 315.801 -0.041 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)[C@]2(C)CNC(=O)C2)C1 1077434211 OFFXSQGIUIHLDA-BREBYQMCSA-N 301.774 -0.574 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(CC(=O)N(C)C)C[C@H]2O)cc1 1077493992 VBGOEFLZRNZOTA-HUUCEWRRSA-N 315.373 -0.469 30 20 DBED C#CCN[C@H]1C[C@@H](NC(=O)C2CC(=O)NC(=O)C2)C12CCC2 1078748725 DNDYFXMSWUPQTB-NWDGAFQWSA-N 303.362 -0.311 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CO)(NC(=O)c2cn[nH]c2)CC1 1080742271 GISWTIVRLCRPKK-JTQLQIEISA-N 305.338 -0.347 30 20 DBED C=CCCC(=O)N1C[C@H](CNC(=O)CNC(=O)C2CC2)[C@@H](O)C1 1081299774 JKALCTQJYFNGOS-STQMWFEESA-N 323.393 -0.586 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2ccon2)C[C@H]1O 1081343255 AHSOQMWJUIVOIQ-ZYHUDNBSSA-N 309.322 -0.574 30 20 DBED C#CCCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2cn(C)cn2)C1 1081408744 RFNNFZLVHKMVGT-TZMCWYRMSA-N 318.377 -0.227 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C[C@@H]1O 1081462435 AAPPNNHTNCDXBM-JHZZJYKESA-N 320.389 -0.526 30 20 DBED C=CCCC1(C(=O)NC[C@@H]2CN(C(=O)C(N)=O)C[C@@H]2O)CC1 1081741708 KRGQLYGOQCADPK-MNOVXSKESA-N 309.366 -0.846 30 20 DBED CCCCN1CCOC[C@H]1C(=O)N[C@@H]1CN(CC#N)C[C@H]1OC 1081985250 KCUNMNMEMJFVSU-QLFBSQMISA-N 324.425 -0.174 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)C2CN(C(C)=O)C2)C1 1083426660 SVCDFWXIIJZUQY-NEPJUHHUSA-N 301.774 -0.622 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2cccc(-c3nc[nH]n3)c2)C1 1083694260 QBEBABHHOXKSOR-KGLIPLIRSA-N 311.345 -0.120 30 20 DBED C#CCN1C[C@@H]2[C@@H]3CC[C@@H](CN3C(=O)C3CS(=O)(=O)C3)[C@H]2C1 1089805186 CHZUOOUWYRRYPX-ATGSNQNLSA-N 322.430 -0.167 30 20 DBED CCO[C@@H](C)C(=O)N[C@@H]1CN(c2nc(C)cc(C#N)n2)C[C@H]1O 1090392109 PJOOMIABUMXALJ-CYZMBNFOSA-N 319.365 -0.253 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CN(CC(N)=O)C[C@@]2(C)C1 1092030020 OXGXXWXCPSKAFV-FOCJUVANSA-N 307.394 -0.157 30 20 DBED N#Cc1cncc(N2CC[C@@H](NC(=O)C#CC3CC3)[C@@H](O)C2)n1 1092152299 QXVQYADVQJNLMV-KGLIPLIRSA-N 311.345 -0.183 30 20 DBED C[C@@H]1CN(C)C[C@H](C(=O)NCCN=c2cc[nH]c(C#N)n2)O1 1094226273 OETBMNFNHTYREP-GHMZBOCLSA-N 304.354 -0.983 30 20 DBED CS(=O)(=O)CCC(=O)N[C@H]1C[C@@H](Nc2nccnc2C#N)C1 1097264798 HLWRNAHXUULQFG-AOOOYVTPSA-N 323.378 -0.158 30 20 DBED CC(=O)NCC(=O)N1CCCC[C@@H]1CN=c1cc[nH]c(C#N)n1 1097469769 WCKAOJDPBZCGJQ-GFCCVEGCSA-N 316.365 -0.301 30 20 DBED C[C@H](CNC(=O)C[C@H]1COC(=O)C1)N=c1cc[nH]c(C#N)n1 1097751985 ZVANWDWHTYYYNP-NXEZZACHSA-N 303.322 -0.360 30 20 DBED C[C@@H](CNC(=O)[C@H]1COCCN1C)Nc1cncc(C#N)n1 1097765848 ZHHDDSIDYJNFKC-CMPLNLGQSA-N 304.354 -0.405 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CCC(=O)N(C)C1)N=c1cc[nH]c(C#N)n1 1097907206 FEXPNOJLHMHYTC-WDEREUQCSA-N 316.365 -0.445 30 20 DBED C=CCN(CCO)C1CCN(C(=O)C2CC(=O)NC(=O)C2)CC1 1098500305 TZNHLGIVLSMIRB-UHFFFAOYSA-N 323.393 -0.490 30 20 DBED CC#CCN(CCO)C1CCN(C(=O)[C@@H]2CCC(=O)N2)CC1 1098538037 ASTFHSXLRLQCJP-AWEZNQCLSA-N 307.394 -0.426 30 20 DBED C#CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cc(=O)n(C)cn2)C1 1098882659 OMYUWWCDGJUZQV-LRDDRELGSA-N 300.362 -0.002 30 20 DBED C[C@@H](CCNC(=O)[C@H](C)n1cncn1)N=c1cc[nH]c(C#N)n1 1099021271 NJZXXODNOXMLLU-QWRGUYRKSA-N 314.353 -0.070 30 20 DBED C#CCN[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1C(F)(F)F 1099300591 OIENTHPTCFPRQZ-RKDXNWHRSA-N 303.284 -0.136 30 20 DBED C[C@H](CCNC(=O)[C@@H]1CCN(C)C1=O)N=c1cc[nH]c(C#N)n1 1099638099 IYYXWIMOZVKCMV-MNOVXSKESA-N 316.365 -0.445 30 20 DBED Cc1nc(CN2CC[C@H](NC(=O)CSCC#N)[C@@H](O)C2)n[nH]1 1099692953 JTOZDAXAAREVMA-QWRGUYRKSA-N 324.410 -0.579 30 20 DBED CN(CCNC(=O)CN1CCCC1=O)c1ccnc(C#N)n1 1099922456 ZBVURUOARWUXTG-UHFFFAOYSA-N 302.338 -0.477 30 20 DBED C=CCCN1CC[C@H](NC(=O)CCCS(N)(=O)=O)[C@H](O)C1 1099981841 ULTVLXVPDRSNJS-NWDGAFQWSA-N 319.427 -0.817 30 20 DBED CC(C)C#CC(=O)NCC1CC(NCCNS(C)(=O)=O)C1 1100310208 HXTMLBWDGFJPPX-UHFFFAOYSA-N 315.439 -0.321 30 20 DBED CCN(CCNC(=O)Cn1cnnn1)c1ncccc1C#N 1100439879 YYVMMGXIWNEPDM-UHFFFAOYSA-N 300.326 -0.418 30 20 DBED COCC[C@@H](C)C(=O)NCC1CC(NCC(=O)NCC#N)C1 1101002513 BTDLHWYVWISYQJ-PNESKVBLSA-N 310.398 -0.217 30 20 DBED CO[C@@H](C)C(=O)N1C[C@H]2CN(CC(=O)NCC#N)C[C@@]2(C)C1 1101146644 PMNZPJJNBWFQHO-ZOWXZIJZSA-N 308.382 -0.559 30 20 DBED C#CCN1C[C@@H](C)[C@H](CNC(=O)CCCn2c(O)nnc2O)C1 1102108318 GXHNYZZEQHICHZ-VXGBXAGGSA-N 321.381 -0.213 30 20 DBED CNC(=O)CC(=O)NCC[C@@H]1CCN(c2nccnc2C#N)C1 1102311630 BHPANFWHFGHMIQ-LLVKDONJSA-N 316.365 -0.183 30 20 DBED CC(=O)NCC(=O)N[C@H]1CC[C@H](N=c2cc[nH]c(C#N)n2)CC1 1103625958 UFLDIRBPLHBDCZ-HAQNSBGRSA-N 316.365 -0.254 30 20 DBED C#CCCNCc1cn(C2CN(C(=O)c3n[nH]cc3F)C2)nn1 1105322618 XICZUATZOJJIRW-UHFFFAOYSA-N 317.328 -0.050 30 20 DBED C=CCNCc1cn(C2CN(C(=O)C(=O)NCC3CC3)C2)nn1 1105354851 WWZHWLZSXWEGCF-UHFFFAOYSA-N 318.381 -0.537 30 20 DBED Cc1ccc(C#N)c(NC[C@H](O)CNC(=O)c2cn(C)nn2)n1 1105814983 BYJFSWWYZYCQGW-NSHDSACASA-N 315.337 -0.407 30 20 DBED CCCN(C)CC(=O)NC[C@H](O)CN=c1cc(C)[nH]cc1C#N 1105909673 LFSXYKYEXKPAAK-CQSZACIVSA-N 319.409 -0.086 30 20 DBED COCCCOCC(=O)NC[C@H](O)CNc1ncccc1C#N 1105960053 XGDATPTWFZGUKZ-ZDUSSCGKSA-N 322.365 -0.105 30 20 DBED COCC(C)(C)C(=O)NC[C@@H](O)CNc1nccnc1C#N 1106023162 NSIMBKRDGJEPMC-JTQLQIEISA-N 307.354 -0.090 30 20 DBED C=CCn1cc(C(=O)NC[C@H](O)CNc2ncccn2)nn1 1106131737 JCHASZWFHYPYLE-JTQLQIEISA-N 303.326 -0.543 30 20 DBED Cc1ccnn1CC(=O)NC[C@@H](O)CNc1cnc(C#N)cn1 1106134208 RQMCJFXYUQZKAY-LBPRGKRZSA-N 315.337 -0.558 30 20 DBED C#CCNC(=O)CC(=O)NC/C=C/CNc1ncc(F)cn1 1107130235 INVZIZYVLXDKBK-ONEGZZNKSA-N 305.313 -0.161 30 20 DBED N#Cc1nccnc1NC/C=C\CNC(=O)[C@@H]1CC[C@@H]1C(N)=O 1107451915 NQBGMNDOPMQQMH-WQJDUCKJSA-N 314.349 -0.056 30 20 DBED C[C@]1(C(=O)NC/C=C/CNc2cncc(C#N)n2)CCNC1=O 1107508318 CUZSUXFKYMVETD-XYBNCVKDSA-N 314.349 -0.041 30 20 DBED Cn1cnc(C(=O)NC/C=C/CN=c2cc[nH]cc2C#N)cc1=O 1107583997 QMZFAPGBGRJJQH-NSCUHMNNSA-N 324.344 -0.133 30 20 DBED C[C@H](CNc1cnc(C#N)cn1)NC(=O)[C@@H]1CCCN1C(N)=O 1107813480 JKDXLPDDRHGHJR-KOLCDFICSA-N 317.353 -0.192 30 20 DBED C=CCN1CCO[C@](C)(CNC(=O)c2cn(CCOC)nn2)C1 1107939732 JETWUZBNAFXISR-OAHLLOKOSA-N 323.397 -0.069 30 20 DBED C[C@@]1(CNC(=O)c2ccnc3[nH]nnc23)CN(CC#N)CCO1 1108065684 XTBCUKBIEBYQNS-CQSZACIVSA-N 315.337 -0.303 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)c2ccc3nnnn3c2)C1 1108070539 XRSKXSJAOHLMAS-OAHLLOKOSA-N 314.349 -0.422 30 20 DBED C[C@H](CNc1ccc(C#N)cn1)NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 1108105686 OQUNOWWMLQXXJF-ADEWGFFLSA-N 317.349 -0.097 30 20 DBED C=C(C)CN1CCO[C@](C)(CNC(=O)CS(=O)(=O)NC)C1 1108405189 VDJWSVHAFYCCIG-CYBMUJFWSA-N 319.427 -0.681 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@H]1CC(=O)N(C2CN(CCF)C2)C1 1108594779 ZWZUOJBEWXXGNI-RYUDHWBXSA-N 313.373 -0.052 30 20 DBED COCC(=O)N(C)CC(=O)N[C@@H](C)CNc1cncc(C#N)n1 1108745767 OVCGZCADVHZGNF-JTQLQIEISA-N 320.353 -0.630 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)CN(C)c1ccnc(C#N)n1 1108945290 PIIXINVPNKEMFZ-LLVKDONJSA-N 314.349 -0.571 30 20 DBED CN(CCCN=c1cc[nH]c(C#N)n1)C(=O)[C@@H]1CC[C@H]1C(N)=O 1109580061 MZGOKAASCDERKF-GHMZBOCLSA-N 316.365 -0.458 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1[C@H]2C[C@H]1N(c1cc(F)ncn1)C2 1109704060 KMLDAWKSYMPGQK-WMFXKJRFSA-N 317.324 -0.552 30 20 DBED C[C@H](CC(N)=O)C(=O)N[C@H](CN=c1cc[nH]c(C#N)n1)C1CC1 1109946565 WBNYHCGQLUIXHC-MWLCHTKSSA-N 316.365 -0.412 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H](NC(=O)[C@@H]1CNC(=O)N1)C1CC1 1109963796 PIPDPOQZXSPMIZ-OLZOCXBDSA-N 314.349 -0.637 30 20 DBED C#CCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2[C@H]1CCN(C)C1=O 1110551006 KXCQKSYXZLGSGJ-KBXIAJHMSA-N 319.405 -0.022 30 20 DBED C=CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H](C)NS(C)(=O)=O 1111065255 WQDRKNPHGRRKPI-KKOKHZNYSA-N 301.412 -0.168 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)C#N)C1 1111667243 YBJZIJHYUUACEN-WWGRRREGSA-N 302.378 -0.134 30 20 DBED COCC#CCN1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)CC1 1113135509 KHJPXXGDWXGKGJ-HRCADAONSA-N 322.405 -0.168 30 20 DBED C=CCOCCN1CCN(C(=O)[C@@H](C)NS(C)(=O)=O)CC1 1113384606 DWYNPAKMXWYMOG-GFCCVEGCSA-N 319.427 -0.729 30 20 DBED C[C@H](CNC(=O)Cn1cnnc1O)N(C)c1cncc(C#N)n1 1113569075 SDXRXCYSXHIXNX-SECBINFHSA-N 316.325 -0.714 30 20 DBED C[C@@H]1CC[C@@H](C)N1CC(=O)N1CCN(CC(=O)NCC#N)CC1 1113672418 RPFSPWYDVPASKS-ZIAGYGMSSA-N 321.425 -0.357 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)c3ccc(O)nn3)[C@H]2C1 1113809632 LTRKXOTZQRNUFA-YABSGUDNSA-N 302.334 -0.508 30 20 DBED COCC#CCN1C[C@@H]2C(NC(=O)c3cc(OC)no3)[C@H]2C1 1114155666 QKPBWQQDUUFYET-QWRGUYRKSA-N 305.334 -0.007 30 20 DBED C#CCO[C@H](C)C(=O)NC1[C@H]2CN(Cc3cnn(C)n3)C[C@H]12 1114270683 JHJWKESJRSNAFP-WXHSDQCUSA-N 303.366 -0.600 30 20 DBED N#Cc1cnc(N2C[C@H]3C(CNC(=O)Cn4cncn4)[C@@H]3C2)cn1 1114552144 MJJJBQCUYGZLDD-STQMWFEESA-N 324.348 -0.562 30 20 DBED CCN(CCC#N)C(=O)CN1CCC2(CC1)NC(=O)NC2=O 1116403289 KRJNCGSNJOWWTC-UHFFFAOYSA-N 307.354 -0.577 30 20 DBED C=CC1CCN(C(=O)C(=O)NCCN2C(=O)CNC2=O)CC1 1117378326 VJYPCUGZVBEJOX-UHFFFAOYSA-N 308.338 -0.921 30 20 DBED C[C@H](CN(C)C(=O)[C@@H]1CCC(=O)N1C)N=c1cc[nH]c(C#N)n1 1120492691 AICIXGYTJYYCLS-MNOVXSKESA-N 316.365 -0.350 30 20 DBED C#CCNC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 1120571350 NBPWSORHIZRPTB-NSHDSACASA-N 316.766 -0.271 30 20 DBED CC(=O)N[C@H](C)C(=O)NC[C@@H](CO)Nc1ccc(C#N)cn1 1121176889 AJKSQMDOQYFRPT-SKDRFNHKSA-N 305.338 -0.633 30 20 DBED Cc1ccc(C#N)c(N[C@H](CO)CNC(=O)[C@H]2COC(=O)N2)n1 1121387973 YPHDVGVHDFBMBF-WDEREUQCSA-N 319.321 -0.741 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]cc1C#N)C(=O)c1ccon1 1124090571 JKAPJLMQGYIRCO-LLVKDONJSA-N 301.306 -0.092 30 20 DBED CN(C[C@H](O)CNc1ccc(C#N)nn1)C(=O)Cc1ccon1 1124201102 RQMVRUIIYRZNOA-GFCCVEGCSA-N 316.321 -0.190 30 20 DBED CN(C[C@@H](O)CN(C)c1nccnc1C#N)C(=O)c1cn[nH]c1 1125030140 QAGUBWLXMKYVEE-NSHDSACASA-N 315.337 -0.359 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)Cc1ccoc1 1126154083 VXDNYLDUKSGJEE-LLVKDONJSA-N 322.365 -0.072 30 20 DBED CNS(=O)(=O)CCC(=O)NCCNCc1ccccc1C#N 1127092336 DBBRKSKOSNFYNB-UHFFFAOYSA-N 324.406 -0.297 30 20 DBED COCC#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)C(F)F)C1 1128607765 MZGVBILYYZGXPG-MNOVXSKESA-N 313.308 -0.466 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)Cc1cnc(C)o1 1129311477 YHTNBGMXFSMVKI-UHFFFAOYSA-N 323.353 -0.757 30 20 DBED C=CCCN[C@@H]1CN(C(=O)[C@H](C)NC(C)=O)C[C@@H]1n1ccnn1 1129552947 JHWKTSGVXTUFKS-YUTCNCBUSA-N 320.397 -0.280 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@@H](CC)NC(C)=O)C[C@@H]1n1ccnn1 1130020790 XKIPMJLWANKAFD-MCIONIFRSA-N 318.381 -0.833 30 20 DBED COCC#CCNCCNC(=O)c1cnc2ccc(OC)nn12 1130434265 JFDLUSWBRABGFQ-UHFFFAOYSA-N 317.349 -0.293 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)COCCOCC)C[C@@]3(C1)O2 1131291542 QEURNIDSFROJQC-ZMSDIMECSA-N 322.405 -0.026 30 20 DBED C=CCOCCN1C[C@@H](NC(=O)Cn2ncnn2)CC[C@H]1C 1132041880 MEWCAHFDYIZIHD-OLZOCXBDSA-N 308.386 -0.155 30 20 DBED C[C@H]1CC[C@@H](NC(=O)C#CC2CC2)CN1Cc1nc(=O)n(C)[nH]1 1132047496 XSBZJBYMXLBIHR-WCQYABFASA-N 317.393 -0.009 30 20 DBED C#CCN1C[C@@H](NC(=O)COCc2ncnn2C)CC[C@@H]1C 1132392895 RWLYMZQKAJFNOU-STQMWFEESA-N 305.382 -0.066 30 20 DBED C=C(Cl)CNCCNC(=O)CCn1cc[nH]c(=O)c1=O 1135387236 NMOCSYKNPWRHLG-UHFFFAOYSA-N 300.746 -0.615 30 20 DBED CC#CCN[C@H](C)C[C@@H](C)NC(=O)CN1C(=O)CN(C)C1=O 1136131399 YNBOHZKTSSMONU-VXGBXAGGSA-N 308.382 -0.223 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)[C@@H]1C[C@]12CCOC2 1147007747 AEZDEQSFYJMXOC-NHYWBVRUSA-N 324.381 -0.869 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)Cc2cnn(CC)c2)C1=O 1147388017 HDBUKCYAQGLRHF-CQSZACIVSA-N 319.409 -0.062 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)N1CC2(CCN(CCO)C2)C1 1148838595 BMTDDRIRPFLDIV-UHFFFAOYSA-N 324.425 -0.223 30 20 DBED C#CCNC(=O)CN1CCCO[C@@H](CNC(=O)[C@@H]2CCCO2)C1 1149090794 VTKPZXGSYGHJEO-KBPBESRZSA-N 323.393 -0.878 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1cnc2n[nH]c(C)c2c1 1151092975 CMJSLFHAVZFOQP-UHFFFAOYSA-N 316.365 -0.112 30 20 DBED CCN(CC#N)[C@H](C)CNC(=O)CS(=O)(=O)CCOC 1154046063 GPMZOIZYLZVRAN-LLVKDONJSA-N 305.400 -0.602 30 20 DBED C#CCNC(=O)CC(=O)NCCCNC[C@H]1C[C@H]2CC[C@H]1O2 1156847650 CWWPZOXWMQNSPK-MGPQQGTHSA-N 307.394 -0.211 30 20 DBED CC#CCNCCCNC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 1158036462 CTPJIHXUGZFJIF-LBPRGKRZSA-N 303.366 -0.118 30 20 DBED N#CCNC(=O)CNCCCNC(=O)c1ccnn1C1CCC1 1158228983 TZNRMSUHSBJYMY-UHFFFAOYSA-N 318.381 -0.043 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)C[C@@H]1CCCC(=O)N1 1162183473 HZRHGSYWPZXWIW-STQMWFEESA-N 324.425 -0.168 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)[C@]2(C)CCNC2=O)C1=O 1166561259 XFHPYSMQEOMXQU-WBMJQRKESA-N 322.409 -0.605 30 20 DBED CC#CCNCC1(CCNC(=O)C2CC(=O)NC(=O)C2)CC1 1167453040 NGXLWSSKAYWHQC-UHFFFAOYSA-N 305.378 -0.061 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)C3(C(=O)N(C)C)CC3)C[C@@H]21 1177132847 WMDIITCASUKGIS-KBPBESRZSA-N 319.405 -0.210 30 20 DBED C#CCCNCCCNC(=O)CCCCCS(N)(=O)=O 1177648934 YEHONSZXCHHXFM-UHFFFAOYSA-N 303.428 -0.046 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCCCCNC(=O)CC(N)=O 1178089862 VSCXRXORKFKXMA-GFCCVEGCSA-N 312.414 -0.181 30 20 DBED C#CCNC(=O)CC(=O)NCCCCCCN[C@@H](C)C(=O)NC 1178263002 WPXKBLUUUJAFBR-ZDUSSCGKSA-N 324.425 -0.473 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)c2cnn(C)c2N)C1 1182134835 YYWASCMOCCQADJ-SNVBAGLBSA-N 306.370 -0.891 30 20 DBED C#CCCNC[C@@H]1CCN(C(=O)CS(=O)(=O)NC)C[C@@H]1C 1185718200 GNDQNOHMACPEFM-STQMWFEESA-N 315.439 -0.367 30 20 DBED C#CCOCCC(=O)N1CC[C@H](N(C)Cc2nnn(C)n2)C1 1190121744 QYMYDMMSJYVDQT-LBPRGKRZSA-N 306.370 -0.717 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)C[C@@H]2COC(=O)C2)C1 1192215042 UBHCWGKQXKSZNU-YNEHKIRRSA-N 312.366 -0.697 30 20 DBED C#CCCCC(=O)N[C@@H]1CN([C@@H](C)C(=O)NCCC)C[C@H]1O 1192525111 QMCDQFFYYWXNJW-BFHYXJOUSA-N 309.410 -0.134 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCOCC2)C1 1192555589 ONKVDWSZNUOZQC-RRFJBIMHSA-N 310.394 -0.386 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)Cc2[nH]cnc2C)C1 1193697317 YAKMLXWNSZUSQD-ZDUSSCGKSA-N 317.393 -0.457 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)COCc2nccn2C)C1 1194009826 BXSHAAJWJACSDH-CHWSQXEVSA-N 306.366 -0.879 30 20 DBED C=CCCN(C)[C@@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 1194060568 MPUUYUKCNAZGPS-NEPJUHHUSA-N 301.412 -0.213 30 20 DBED N#CCNC(=O)CN1CCCN(C(=O)c2cccnc2)CC1 1194655109 JDQXBSDPQZETHE-UHFFFAOYSA-N 301.350 -0.131 30 20 DBED C=CCCCC(=O)N[C@@H]1CN(CCN2C(=O)CNC2=O)C[C@H]1O 1195724391 AKIZPTMCHHSLQN-VXGBXAGGSA-N 324.381 -0.944 30 20 DBED C=CCn1cc(C(=O)N2CCCN(C[C@@H](O)COC)CC2)nn1 1197370014 RLCMGIKPVKXFHJ-CYBMUJFWSA-N 323.397 -0.381 30 20 DBED C#CCNC(=O)[C@H](C)NC1CCN(C(=O)c2cnccn2)CC1 1199145930 TVXZTYGBBRYELT-LBPRGKRZSA-N 315.377 -0.191 30 20 DBED COc1cnc(C(=O)N2CCCO[C@@H](CNCC#N)C2)nc1 1200937146 CYSRPMGCYGLVHZ-LBPRGKRZSA-N 305.338 -0.171 30 20 DBED C#CCNC[C@@H]1CN(C(=O)c2cn(C)c(=O)cn2)CCCO1 1201022173 GVNXOSMXIJRSOW-GFCCVEGCSA-N 304.350 -0.766 30 20 DBED C#CCNC[C@@H]1CN(C(=O)[C@@H]2CCCN2C(N)=O)CCCO1 1202236507 STGXSVAWHNSEGR-OLZOCXBDSA-N 308.382 -0.630 30 20 DBED C=C(C)CNC[C@H]1CN(C(=O)C[C@@H]2CC(=O)NC2=O)CCCO1 1202249686 CYAWLHCXOOGGCI-STQMWFEESA-N 323.393 -0.178 30 20 DBED C#CCNC1CCN(C(=O)CCNC(=O)[C@@H]2CCCO2)CC1 1204108106 HAHOHNUSBZWDOG-AWEZNQCLSA-N 307.394 -0.115 30 20 DBED C=CCNCC1CCN(C(=O)C2CC3(C2)NC(=O)NC3=O)CC1 1206561145 DBNPIVDENVLKAN-UHFFFAOYSA-N 320.393 -0.011 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)Cc2ccon2)C1 1207721752 GPSLEYQAWGNCRM-ZDUSSCGKSA-N 304.350 -0.453 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCC[C@@H](NCC(=O)NC(N)=O)C1 1207951244 RCPHTZDYANXAMW-QMTHXVAHSA-N 312.370 -0.911 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)c2cnnn2C)C1 1207957222 FLRCZRQOUGXOET-VXGBXAGGSA-N 318.381 -0.853 30 20 DBED COCC#CCN[C@@H]1CCCN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 1208410702 CNPJQECCYNDLRG-BZUAXINKSA-N 323.437 -0.064 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)CCCN(C)C)[C@H](C)C1 1208438453 WFGFLGZVSPXZAS-ZIAGYGMSSA-N 308.426 -0.486 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@H]2CCN(C)C2)C1 1211064244 LLGZUZNILXVWOD-UONOGXRCSA-N 306.410 -0.732 30 20 DBED C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1N[C@@H]1CCC(=O)NC1=O 1214173613 HVJWBUQYLPDWIV-GMTAPVOTSA-N 324.406 -0.515 30 20 DBED C#CCCCC(=O)N[C@@H]1CN([C@@H]2CCCN(C)C2=O)C[C@@H]1O 1219539362 ICRNCHVGOUILRO-MCIONIFRSA-N 307.394 -0.428 30 20 DBED C#CCCCC(=O)N[C@@H]1CN([C@@H](C)c2nnnn2C)C[C@@H]1O 1219539604 SOMDTAQXUSELJZ-TUAOUCFPSA-N 306.370 -0.764 30 20 DBED COc1nccc(CN2C[C@H](O)[C@H](NC(=O)C#CC(C)C)C2)n1 1219582034 ZDEBLNLKBRJHLJ-KGLIPLIRSA-N 318.377 -0.194 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)c2ccn(C)c2C)C1 1220300297 DPJCGDQPFLPWJR-CABCVRRESA-N 305.378 -0.242 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)CO[C@@H](C)c2nccn2C)C1 1220871379 CGXNYOOHSZJCOP-XQQFMLRXSA-N 308.382 -0.155 30 20 DBED CC#CCN1CC[C@@H]2CN(C(=O)COCc3ncnn3C)[C@@H]2C1 1221908523 CMGXWPZPAXCDRF-ZIAGYGMSSA-N 317.393 -0.112 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)[C@@H]2CCCN2C)CC1 1222613350 XPNJLMYVXUCLSR-HNNXBMFYSA-N 320.437 -0.342 30 20 DBED CCNC(=O)CC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCC#N 1225795615 JMSLFJUCMOMYBX-VXGBXAGGSA-N 323.397 -0.831 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)c2cnn(CC)c2)CC1 1226617259 CPGMYYLZVLVPRS-UHFFFAOYSA-N 317.393 -0.153 30 20 DBED C#CCNC(=O)[C@H](C)N(C)CCCNC(=O)[C@@H](C)NC(C)=O 1233590539 YVTVAAHIBLNVBN-NEPJUHHUSA-N 310.398 -0.913 30 20 DBED COCCOC[C@H](O)CN1CC[C@@H]1CN(C)C(=O)C#CC1CC1 1234178695 NKRZOCSELMRXFW-HZPDHXFCSA-N 324.421 -0.044 30 20 DBED C=CCNC(=O)CN(C)CCCNC(=O)CNC(=O)C1CC1 1234390449 FIAINAXZLBVFHM-UHFFFAOYSA-N 310.398 -0.747 30 20 DBED Cc1cc(NC(=O)C(=O)N2CC[C@H](C(N)=O)C2)nn1CCC#N 1319784260 OZWWGMAJJZLQIS-JTQLQIEISA-N 318.337 -0.623 30 20 DBED C#CC1CCN(C(=O)C(=O)N2CCC[C@@H](OCCO)C2)CC1 1326263405 ICRZISHGDYZHOS-CQSZACIVSA-N 308.378 -0.142 30 20 DBED COC(=O)[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](CC#N)C2)CCO1 1328169516 IQIGMLQJLSNZDS-RYUDHWBXSA-N 323.349 -0.461 30 20 DBED N#CCNC(=O)CNC(=O)NCCc1cn2c(n1)SCC2 1328703255 PLJOPJFCPWGKMW-UHFFFAOYSA-N 308.367 -0.530 30 20 DBED C=C[C@H](CO)NC(=O)C(=O)Nc1cccc(O[C@H]2CC(=O)N2)c1 1329784023 HPMIMIPFKUFGAX-RNCFNFMXSA-N 319.317 -0.487 30 20 DBED C#CCCCCNC(=O)C(=O)N1CCC(C(=O)NOC)CC1 1330629612 FGDIFKJHODGVRM-UHFFFAOYSA-N 309.366 -0.178 30 20 DBED C#CCN(CC)c1nnnn1[C@@H]1CCCN(S(C)(=O)=O)C1 1334856670 DHOOPTDYXZOUQX-LLVKDONJSA-N 312.399 -0.271 30 20 DBED C=CCCC(=O)CN1C(=O)N[C@@H](CCS(C)(=O)=O)C1=O 1341310316 PHMXZYXYBYITDF-JTQLQIEISA-N 302.352 -0.123 30 20 DBED C=C(C)CCC(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1353656068 YYRPQSOEUFNJRR-UHFFFAOYSA-N 321.381 -0.169 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)[C@@H]2CCc3nnc(O)n3C2)C1=O 1353678532 LRZAHLUIJCFDQL-GHMZBOCLSA-N 319.365 -0.209 30 20 DBED C#Cc1ccc(NC(=O)C(=O)NCCNC(=O)N(C)C)cc1 1354256658 LXAWNKOZDJEAGU-UHFFFAOYSA-N 302.334 -0.006 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2[C@@H](C)[C@H](C)NC[C@H]2C)C1=O 1358176519 OYCIFVGHLYMZSB-VWYCJHECSA-N 322.365 -0.440 30 20 DBED N#CC[C@]1(O)CCN(C(=O)CCC(=O)N2CCC(O)CC2)C1 1362935731 NCKVQLWCZQJIQC-HNNXBMFYSA-N 309.366 -0.373 30 20 DBED CCCNC(=O)[C@@H]1CCCN(c2[nH]c(=O)n(C)c(=O)c2C#N)C1 1363729734 KFWYMKJCENENAH-SNVBAGLBSA-N 319.365 -0.312 30 20 DBED CN(c1[nH]c(=O)n(C)c(=O)c1C#N)[C@H](CO)Cc1ccccc1 1364209688 BVCSXITYEYEPQP-LBPRGKRZSA-N 314.345 -0.015 30 20 DBED N#Cc1cnn2c(O)cc(CN3CC[C@H](O)[C@@H](CO)C3)nc12 1365309839 GLUJEBQFNPAEDP-PWSUYJOCSA-N 303.322 -0.518 30 20 DBED N#CCC1(CS(=O)(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)CC1 1365681846 YIXODCSQJKWPLK-UWVGGRQHSA-N 301.368 -0.367 30 20 DBED CCC(=O)NCC(=O)N(C)[C@@H](C)CNC(=O)c1cc(C#N)c[nH]1 1369813974 YPZGBWISHSGFNL-JTQLQIEISA-N 319.365 -0.011 30 20 DBED N#Cc1cc(C(=O)NC[C@@H](O)CNC(=O)C2=COCCC2)c[nH]1 1376552066 SPBYANIRUPNSHN-ZDUSSCGKSA-N 318.333 -0.212 30 20 DBED C=C(Cl)CN1CC(O)(CNC(=O)[C@H]2CCC(=O)NC2)C1 1380600143 ZOLKQECTGOSVLU-JTQLQIEISA-N 301.774 -0.572 30 20 DBED C=C(Cl)CNC[C@H](O)CN(C)C(=O)[C@H]1CCCC(=O)N1 1411088893 WADVMIDPPIAPLM-WDEREUQCSA-N 303.790 -0.184 30 20 DBED N#Cc1csc(C(=O)NCCc2nnc3n2CCNC3=O)c1 1412607121 LGSSOPLYYHKGDK-UHFFFAOYSA-N 316.346 -0.073 30 20 DBED CNC(=O)N[C@H]1CCCN(S(=O)(=O)N(C)[C@@H](C)CC#N)C1 1424661353 DGEBSPCBBBPITI-QWRGUYRKSA-N 317.415 -0.141 30 20 DBED CN(CCN(C)C(=O)[C@H]1COCCO1)C(=O)c1ccc(C#N)[nH]1 1431346013 YAPDCFUBHHOXON-CYBMUJFWSA-N 320.349 -0.168 30 20 DBED N#Cc1cn(CC(=O)N2CC[C@@H]([C@H]3CCOC3)C2)c(=O)nc1O 1433833769 UCGBFWYGJHEPIT-MNOVXSKESA-N 318.333 -0.294 30 20 DBED CC(C)(C#N)CS(=O)(=O)N1CC[C@H](CS(N)(=O)=O)C1 1464701794 YAVWONHEITVUQQ-VIFPVBQESA-N 309.413 -0.524 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 1480111199 HXJOOOUXKVBQPQ-KGLIPLIRSA-N 320.437 -0.201 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)[C@H](C)n2cncn2)C1 1494701148 LILUJPUSPKXLPC-RYUDHWBXSA-N 306.370 -0.668 30 20 DBED CCn1cc(C(=O)NC[C@H](O)CNC(=O)[C@@H](C)C#N)c(C)n1 1533264115 IBEDLFICWYKLAS-GXSJLCMTSA-N 307.354 -0.422 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](C)CN(C)c1cnc(-c2nn[nH]n2)cn1 1574810800 YDKKFKGHROBALH-DTWKUNHWSA-N 315.341 -0.243 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)Cc1ccc(-c2nn[nH]n2)nc1 1588353094 GEAFQYJJBRZUCR-VIFPVBQESA-N 314.305 -0.515 30 20 DBED C=C(C)CCn1c(=O)c(-c2nn[nH]n2)c(C)n(CCO)c1=O 1588425788 VAHJUFCDFQYPDN-UHFFFAOYSA-N 306.326 -0.543 30 20 DBED C=C(C)C[C@@H](NS(=O)(=O)C[C@H]1CN(C)CCO1)C(=O)O 1588553988 WYQCBPCWOQFGSW-GHMZBOCLSA-N 306.384 -0.344 30 20 DBED C=CCC[C@@H](CO)NC(=O)[C@@H](C)n1cnc(-c2nn[nH]n2)n1 1588578020 UKHYQJKPEJGNKD-BDAKNGLRSA-N 306.330 -0.538 30 20 DBED N#Cc1c(N2CCO[C@@H](C(=O)O)C2)cccc1S(N)(=O)=O 1594614280 OQMHLGQACTZFNC-SNVBAGLBSA-N 311.319 -0.505 30 20 DBED COCCOCCc1ncc(C(=O)N(CC#N)CC(=O)O)[nH]1 1599251930 XESYERDRWQLHPV-UHFFFAOYSA-N 310.310 -0.334 30 20 DBED N#Cc1ccc(C(=O)NCC2CN(C(=O)[C@H]3C[C@@H]3C(=O)O)C2)[nH]1 1601092624 UZNMERRBWWOXOI-QWRGUYRKSA-N 316.317 -0.205 30 20 DBED CC(C)(C#N)CS(=O)(=O)N1CC(n2cc(C(=O)O)nn2)C1 1603230753 YRSAOLQWUHGIKR-UHFFFAOYSA-N 313.339 -0.287 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N[C@H]2C[C@@H](C(=O)O)[C@@H]3C[C@H]23)CCO1 1608179801 OWZAJCWRDFQVCQ-NZFPMDFQSA-N 315.351 -0.846 30 20 DBED N#CCNC(=O)CN[C@H]1CCN(C(=O)Cc2cscn2)C1 1714332131 SFYUMKQOBKFIGF-JTQLQIEISA-N 307.379 -0.484 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(CCNC(=O)C2CC2)CC1 1752359867 DKHRNZNWCVEEHK-ZDUSSCGKSA-N 306.410 -0.732 30 20 DBED C=CCNC(=O)CN[C@@H](C)CNC(=O)c1cnn2ncccc12 1752878921 HBKFGCGSBZILOR-NSHDSACASA-N 316.365 -0.261 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCCN(C(=O)c2cnon2)C1 1752998889 OPLIXOLIPCJPFM-NSHDSACASA-N 307.354 -0.092 30 20 DBED COCC#CCN[C@H](C)CCNC(=O)C(C)(C)S(C)(=O)=O 1753014569 PDVWMHQOJYEXMC-GFCCVEGCSA-N 318.439 -0.056 30 20 DBED C=CCNC(=O)[C@@H](C)N(CC)CCNC(=O)[C@H]1CCNC1=O 1753089860 OKSDXTCLZIIGFF-NEPJUHHUSA-N 310.398 -0.749 30 20 DBED C#CCNC(=O)[C@@H](C)NCCN(C)C(=O)[C@@H](C)Cc1cnc[nH]1 1753239988 FSHVREZISWQFIN-QWHCGFSZSA-N 319.409 -0.226 30 20 DBED C=C[C@](C)(O)CC(=O)N(C)[C@@H]1CCN(Cc2nnn(C)n2)C1 1753435510 SUJXTBNPVDCIBK-RISCZKNCSA-N 308.386 -0.430 30 20 DBED C[C@H]1CN(C(=O)Cc2ccon2)CC[C@H]1NCC(=O)NCC#N 1753769334 PNGPRZDCUBQFLF-WCQYABFASA-N 319.365 -0.317 30 20 DBED CCn1cc(CC(=O)NC[C@@H](O)CNCC#CCOC)cn1 1753933545 NBJHLAPUMWPYSX-AWEZNQCLSA-N 308.382 -0.838 30 20 DBED C=CCNC(=O)CN(C)C[C@H](C)NC(=O)c1cn(C)c(=O)n1C 1754335953 IMRYYRQTLSJFQU-NSHDSACASA-N 323.397 -0.924 30 20 DBED C=CCn1cc(C(=O)N(C)C2CN(CC(=O)N(C)CC)C2)nn1 1754584117 YIUJSVMCVGJTKP-UHFFFAOYSA-N 320.397 -0.301 30 20 DBED COCC#CCN1CC[C@@](O)(CNC(=O)c2ccncn2)C1 1754761576 ZKNIAQGWFDASNJ-OAHLLOKOSA-N 304.350 -0.707 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C[C@H](O)Cn2cccn2)C1 1754768058 YXOBLIJVODIHDN-AWEZNQCLSA-N 320.393 -0.934 30 20 DBED N#CCNC(=O)CN1C[C@H]2C[C@H](NC(=O)c3cnn[nH]3)C[C@H]1C2 1754785568 OHEFAPXLRHJNBL-GARJFASQSA-N 317.353 -0.973 30 20 DBED C#CCN1C[C@H]2C[C@@H](NC(=O)CN(C)S(C)(=O)=O)C[C@H]1C2 1754786184 VHJXWYCQYHOZFJ-YNEHKIRRSA-N 313.423 -0.520 30 20 DBED C=CCNC1CCN(CCNC(=O)CN2CCOCC2=O)CC1 1754849344 PRUMWQCRYFQGGC-UHFFFAOYSA-N 324.425 -0.799 30 20 DBED C#CCNC(=O)[C@@H](C)NCCN(CCO)C(=O)[C@H]1CC1(F)F 1754882306 ZAIFQRVPNRAAFN-GHMZBOCLSA-N 317.336 -0.810 30 20 DBED C#CCNC(=O)CN(C)CCCN(C)C(=O)[C@H](C)NC(C)=O 1755032697 AYJQJMOPLUHEOY-LBPRGKRZSA-N 310.398 -0.959 30 20 DBED C#CCCCC(=O)N[C@H]1COC2(C1)CN(Cc1nnn(C)n1)C2 1755059955 WEUBILVNIZWRLR-GFCCVEGCSA-N 318.381 -0.527 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)CNS(=O)(=O)NC)C[C@@H]1C 1755159915 DSYQGJKPGCBDKZ-RYUDHWBXSA-N 318.443 -0.415 30 20 DBED C#CCNC(=O)CN(C)[C@@H](C)CNC(=O)c1snnc1C 1755290880 NQQGCDXXTFQBAQ-VIFPVBQESA-N 309.395 -0.354 30 20 DBED C#CCNC(=O)[C@H](C)N1CC([C@@H](C)NC(=O)c2cnn(C)n2)C1 1755387402 INMFPTNFCQWOEI-MNOVXSKESA-N 318.381 -0.997 30 20 DBED C#CCCN(C)CCOCCNC(=O)[C@@H]1CCN(C)C(=O)C1 1755542049 WIGLQBIILHJOFF-CQSZACIVSA-N 309.410 -0.057 30 20 DBED C=CCNC[C@H]1CC[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)C1 1755748676 YDKWGKPYKDVOSE-NWDGAFQWSA-N 308.382 -0.059 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@@H](O)CN(C)C(=O)c1cc[nH]c1 1755781051 QMVPWMSHEPSBGX-WCQYABFASA-N 306.366 -0.825 30 20 DBED C#CCNC(=O)CNC1CC(N(C)C(=O)c2n[nH]cc2C)C1 1755856055 LGEOQFHHBCXHDD-UHFFFAOYSA-N 303.366 -0.340 30 20 DBED C[C@@H](C#N)C(=O)N(C)C[C@@H]1CCCN1C(=O)C1(C(N)=O)CC1 1755925564 MQDLOONSHYMWBN-QWRGUYRKSA-N 306.366 -0.139 30 20 DBED CN1C[C@@H](C(=O)NCC2CC(NC(=O)C#CC3CC3)C2)CC1=O 1755935653 AQPUCUYRSPJEKW-MOKVOYLWSA-N 317.389 -0.111 30 20 DBED C=CCOCC(=O)NC1(CCO)CN(C(=O)[C@H](C)OC)C1 1756078521 SKPKDZILDXZEBR-NSHDSACASA-N 300.355 -0.697 30 20 DBED C=CCn1cc(C(=O)NC[C@@H](CO)NC(=O)[C@H](F)CC)nn1 1756522479 KLPOROMCNMPPFC-VHSXEESVSA-N 313.333 -0.581 30 20 DBED C=CCCCC(=O)NC[C@@H](CO)NC(=O)[C@@H]1CC(=O)N(C)C1 1756547018 ZUBZFHWTPOWYNZ-NEPJUHHUSA-N 311.382 -0.586 30 20 DBED C=CCOCC(=O)N1C[C@@H](NC(=O)[C@H]2COCCO2)[C@H](C)C1 1757056315 MOJBRTQUFPOELN-JHJVBQTASA-N 312.366 -0.433 30 20 DBED CCn1nncc1C(=O)N[C@@H]1CN(C(=O)C#CC(C)C)C[C@@H]1O 1757169630 AACGLEFRNQAADU-YPMHNXCESA-N 319.365 -0.741 30 20 DBED C=C(C)CCC(=O)N[C@@H]1CN(C(=O)CCc2nc[nH]n2)C[C@@H]1O 1757179521 WBJGKURLTDREHY-NEPJUHHUSA-N 321.381 -0.219 30 20 DBED NC(=O)Cn1cc(C=NNc2ccc(CC(=O)O)cc2)nn1 1776085290 BVNVUPLQVRXCKW-UHFFFAOYSA-N 302.294 -0.164 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)CCn1ccnn1)CCO2 1783054463 WPBULBBEWWMOBA-OAHLLOKOSA-N 317.349 -0.869 30 20 DBED C=CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CCC(=O)N1)CCO2 1783914189 LUEOOIXQTNBRNF-BLLLJJGKSA-N 321.377 -0.329 30 20 DBED CC(=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)C#N)C2 1795056564 CTVOPXDNQJABQJ-ZSBIGDGJSA-N 307.350 -0.285 30 20 DBED CN(C)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC#N)C2 1795434100 WPIJXNZHUFHYRV-YWVIFJGQSA-N 322.409 -0.169 30 20 DBED CC[C@H](C)[C@H](N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC#N)C2 1795548504 IHIATVHJLXVOQO-QIRZIZBZSA-N 322.409 -0.137 30 20 DBED C=CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cnnn1 1796299409 LUZOLTGYNGJLIZ-ZSBIGDGJSA-N 304.354 -0.113 30 20 DBED C=CCn1nnnc1SCC(=O)NC(=O)N[C@@H](C)COC 52895281 PRULUCDRJBYTOY-QMMMGPOBSA-N 314.371 -0.188 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@H](C)O[C@H](C)C2)C1=O 66275910 CTXQESWGLUEIBX-AOOOYVTPSA-N 309.322 -0.401 30 20 DBED C=CCN(CCC(=O)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 66560845 RUNBVCASQKJQQY-ZDUSSCGKSA-N 316.423 -0.090 30 20 DBED C/N=C(/NCCNS(C)(=O)=O)NCc1c(C)nn(C)c1C 176362870 BAUSFVJAUFDNOJ-UHFFFAOYSA-N 316.431 -0.749 30 20 DBED C=CCNC(=O)NC(=O)Cn1cnc2c(cnn2CC)c1=O 192492147 SZTMATXFNYUXBZ-UHFFFAOYSA-N 304.310 -0.375 30 20 DBED COCCN1CCN(CC(=O)N(CCC#N)CCC#N)CC1 193957721 GEDRJZQNCCYCME-UHFFFAOYSA-N 307.398 -0.094 30 20 DBED COCCNC(=O)CNS(=O)(=O)c1ccc(C#N)c(C)c1 234649662 OQLKQOADEDASBY-UHFFFAOYSA-N 311.363 -0.092 30 20 DBED C=C(C)C/N=C(\NCC(=O)N(C)C)N[C@@H]1CCC(=O)N(C)C1 262276283 HZRHPSDSFIHFOK-GFCCVEGCSA-N 309.414 -0.193 30 20 DBED COCCN/C(N)=N/CCS(=O)(=O)NCc1ccccc1 264129792 XOLJORJYWXZOSJ-UHFFFAOYSA-N 314.411 -0.343 30 20 DBED CNS(=O)(=O)CC(=O)N1CCN(c2cc(C#N)ccn2)CC1 267658549 SQOQRXAHVZVZAU-UHFFFAOYSA-N 323.378 -0.849 30 20 DBED CC(C)NC(=O)C(=O)N1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 269713604 RDRAKBQFRBDCGG-UHFFFAOYSA-N 317.349 -0.305 30 20 DBED COC(=O)[C@H](NS(=O)(=O)c1ccc(F)cc1C#N)[C@@H](C)O 275829098 TXTHPEBKJUJRGU-RDDDGLTNSA-N 316.310 -0.102 30 20 DBED CC#CCNC(=O)C(=O)Nc1ccc(C)c(S(=O)(=O)NC)c1 276192270 MWJMWEFUUHCOHT-UHFFFAOYSA-N 323.374 -0.019 30 20 DBED C#CCN(CC#N)C(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 281017696 AGKIDAIJBSXILJ-AAXDQBDMSA-N 301.302 -0.866 30 20 DBED C#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@@H]1COC[C@H]1O 296176705 MLKHCIGOKMPRNI-VXGBXAGGSA-N 322.292 -0.348 30 20 DBED C[C@H]1CN(/C(O)=N/CCn2ccccc2=O)CCS1(=O)=O 328797873 FPHUKKDGRUVKDY-NSHDSACASA-N 313.379 -0.119 30 20 DBED CC(=O)N1CCC[C@H](C/N=C(/O)CN2CCN(C)C(=O)C2)C1 330087837 NNKTUNPCNCVPOV-CYBMUJFWSA-N 310.398 -0.025 30 20 DBED C/N=C(/O)NC(=O)CCn1cc(S(=O)(=O)N(C)C)cn1 330467514 YFJJFQMTWGRKQS-UHFFFAOYSA-N 303.344 -0.817 30 20 DBED CO[C@H]1CN(/C(O)=N/[C@@H](C)CN2CCN(C)CC2)C[C@H]1OC 331142764 XSOAECYVWZVNMV-MELADBBJSA-N 314.430 -0.118 30 20 DBED C[C@@H](NS(=O)(=O)N1CCO[C@@H](C#N)C1)C1CCOCC1 336932428 CKRAHMFGYCIBPK-PWSUYJOCSA-N 303.384 -0.140 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CC[C@@H](NC(=O)NC)C1 336941973 KCZSEXHPCDHQAI-SNVBAGLBSA-N 303.388 -0.530 30 20 DBED CC(C)OC[C@@H](CO)N(C)S(=O)(=O)N1CCO[C@H](C#N)C1 337164585 XVWCOEVSPQFAFU-VXGBXAGGSA-N 321.399 -0.827 30 20 DBED COCCN1CN(S(=O)(=O)c2cccc(C#N)c2)CC1=O 337989633 DQOVWASBPWYWOV-UHFFFAOYSA-N 309.347 -0.005 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1C 341969046 LJTLTADJNCUGLE-OUAUKWLOSA-N 323.440 -0.265 30 20 DBED C=CCNC(=O)CNC(=O)[C@@H](C)NC(=O)COc1ccccc1 347887193 IFAAFSJAFLJRQQ-GFCCVEGCSA-N 319.361 -0.012 30 20 DBED C[C@H]1C[C@H](N2CCOCC2)CN1C(=O)NCC(=O)NCC#N 358284563 YKXXJMCXXPBPBE-RYUDHWBXSA-N 309.370 -0.869 30 20 DBED CC(C)(O)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N 359138089 JPESOFKYSGWREM-UHFFFAOYSA-N 307.354 0.335 30 20 DBED CC1(C)NC(=O)N(CCCC(=O)N2CCOC[C@@H]2C#N)C1=O 362404815 BUDDEXXFQQMMAZ-JTQLQIEISA-N 308.338 -0.152 30 20 DBED COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)N1CCN(CC#N)CC1 408374160 JDQVQOBBGGXNSK-VXGBXAGGSA-N 315.395 -0.201 30 20 DBED CN1CCN(CCNC(=O)N2CCO[C@H](C#N)C2)CC1(C)C 408429553 YTEUWGNVDVVICR-CYBMUJFWSA-N 309.414 -0.054 30 20 DBED N#Cc1ccc(C(=O)N2CCS(=O)(=O)[C@@H](C(=O)O)C2)cc1 424246160 PTUNBPAWMCEKDM-LLVKDONJSA-N 308.315 -0.118 30 20 DBED N#Cc1cc(F)ccc1NC(=O)C(=O)N1CCO[C@@H](C(N)=O)C1 435657516 XFBPXWIIADNQQS-LLVKDONJSA-N 320.280 -0.651 30 20 DBED COC(=O)[C@H]1CNC(=O)CN1CC(=O)Nc1ccc(C#N)cc1 447902431 JRMURPALUITVBB-GFCCVEGCSA-N 316.317 -0.530 30 20 DBED COC(=O)[C@@H]1CNC(=O)CN1S(=O)(=O)c1cccc(C#N)c1 447931288 ONDYKRMQHWPRKG-NSHDSACASA-N 323.330 -0.780 30 20 DBED O=c1onc(-c2ccccc2)n1C[C@H](O)CNCC#CCO 567877169 IPQCOBDQHJYSEC-CYBMUJFWSA-N 303.318 -0.551 30 20 DBED CC[C@@H]1CN(S(=O)(=O)N2CCO[C@@H](C#N)C2)[C@H](C)CO1 593641670 IZIZFUBLSMLLNX-UTUOFQBUSA-N 303.384 -0.045 30 20 DBED C=CCCOCC(=O)N1CCC[C@H](CNS(N)(=O)=O)C1 606838486 ZXFCNRFBAOEHTK-LLVKDONJSA-N 305.400 -0.389 30 20 DBED CC#CC[C@H](CO)NC(=O)CNS(=O)(=O)c1cccs1 649191399 RKYAVNXBOAIUKJ-SNVBAGLBSA-N 316.404 -0.083 30 20 DBED C=C[C@H](CO)N[C@@H](C)C(=O)N(CC)[C@H]1CCS(=O)(=O)C1 662168070 XLCNMRWCYHDGIY-TUAOUCFPSA-N 304.412 -0.453 30 20 DBED CC(C)NC(=O)CNC(=S)NCCCc1[nH]nc(N)c1C#N 727276318 CRKPUIVAOSJZOW-UHFFFAOYSA-N 323.426 -0.215 30 20 DBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=S)NCC(N)=O 756806025 URARSZBAIYRYIH-SECBINFHSA-N 319.394 -0.781 30 20 DBED COC[C@@H](C#N)OC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 785139828 MCYLSLKZSCJRHJ-MRVPVSSYSA-N 318.289 -0.672 30 20 DBED COCC#CCOC(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 786365967 OTGDMEUKVWNFBP-RFHZTLPTSA-N 321.329 -0.268 30 20 DBED C#CCCS(=O)(=O)NC1CCN(CC(=O)N(C)C)CC1 808291423 LHPHETOBXNKOBB-UHFFFAOYSA-N 301.412 -0.518 30 20 DBED N#Cc1ccc(C(=O)NCCS(=O)(=O)N2CCOCC2)o1 815159068 HKTVHQHAOMEFOV-UHFFFAOYSA-N 313.335 -0.457 30 20 DBED N#CCNC(=O)COC(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O 815474395 NDMNVEJHKQTPBY-AOOOYVTPSA-N 305.290 -0.879 30 20 DBED CCC[C@@H](C(=O)N1CCN(C2CC2)[C@H](C#N)C1)S(N)(=O)=O 827383446 GCOAFTTYHYXKFA-NEPJUHHUSA-N 314.411 -0.358 30 20 DBED C#CCOc1ccccc1NC(=O)C(=O)N1CCO[C@H](CN)C1 841217260 NLCGDAIIBBHZDC-GFCCVEGCSA-N 317.345 -0.177 30 20 DBED C#CCCCN1CCN(S(=O)(=O)N=S(C)(C)=O)CC1 846961908 DVGBTBFNTIXBLS-UHFFFAOYSA-N 307.441 -0.010 30 20 DBED C#CCN(C)CCCNC(=O)N1C[C@@H]2COC[C@]2(C(=O)O)C1 851652309 SPWSGWKMPQWRAG-IUODEOHRSA-N 309.366 -0.316 30 20 DBED CS(=O)(=O)NC1CN(C(=O)COc2cccc(C#N)c2)C1 862841050 DSCGZFRMRZCYSC-UHFFFAOYSA-N 309.347 -0.303 30 20 DBED CS(C)(=O)=NS(=O)(=O)N1CCN(C2CC2)[C@H](C#N)C1 866777474 UIUGIKVZEIUKDN-SNVBAGLBSA-N 306.413 -0.369 30 20 DBED C#CC[C@@H](NS(=O)(=O)C1(C(=O)OCC)CCC1)C(=O)OC 867388531 PEUDNANEFJXLRZ-SNVBAGLBSA-N 317.363 -0.044 30 20 DBED C=CCn1nnn(CN2C[C@H]3C(=O)N(C)C(=O)[C@H]3C2)c1=S 872714451 OKLOMSRFXLUFAE-DTORHVGOSA-N 308.367 -0.501 30 20 DBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NC1CSC1 880739807 HYAKHEGCSITGRK-UHFFFAOYSA-N 311.388 -0.043 30 20 DBED C#CC1(O)CN(S(=O)(=O)C[C@@H]2COc3ccccc3O2)C1 908229610 GVLACGGGTZTVFN-NSHDSACASA-N 309.343 -0.164 30 20 DBED C#CCN1CCC[C@@H](NC(=O)[C@@H]2CCCN2S(C)(=O)=O)C1 923590486 YFCRUTSEOFYMTP-OLZOCXBDSA-N 313.423 -0.376 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCN1C(N)=O 937508267 UGCQPBUPZRAQGG-BJDJZHNGSA-N 319.365 -0.499 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)c[nH]1 940100284 BREHODFOANCGGE-JLLWLGSASA-N 315.333 -0.662 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@H](CNC(=O)c2csc(O)n2)C1 944737583 YLIGTFPSQPVHKH-DTWKUNHWSA-N 324.362 -0.034 30 20 DBED CCN1CCOC[C@@H]1C(=O)NC1CCN(C(=O)[C@H](C)C#N)CC1 948102581 PDAOLQJVKORONR-TZMCWYRMSA-N 322.409 -0.026 30 20 DBED N#Cc1cc(C(=O)NCC2CCN(C(=O)C(N)=O)CC2)c[nH]1 949374409 FCRXJABWORDNAQ-UHFFFAOYSA-N 303.322 -0.660 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]1CNC(=O)c1cc2n(n1)CCO2 950596128 RGKQLXKKEDLVMB-ZJUUUORDSA-N 303.322 -0.234 30 20 DBED N#CCN1C[C@@H](O)[C@H](CNC(=O)c2ccc3nc[nH]c3n2)C1 958161596 LGKTUERLZCANEM-BXKDBHETSA-N 300.322 -0.496 30 20 DBED N#CCN1C[C@@H](O)[C@H](CNC(=O)c2ccc3nncn3c2)C1 958482004 TZSVSIYIAVDQPE-VXGBXAGGSA-N 300.322 -0.725 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2cnc(OCC)cn2)C1 958761987 CQZVLVDFQFSCPO-DGCLKSJQSA-N 304.350 -0.469 30 20 DBED C=C(C)CCN1C[C@@H]2C(NC(=O)c3nnc(O)nc3O)[C@H]2C1 960812783 ZRUKSHUVRXKPPZ-IUCAKERBSA-N 305.338 -0.091 30 20 DBED C=C(Cl)CN1CCN(S(=O)(=O)C2CN(C(C)=O)C2)CC1 961061534 UQBLOWAJAVTEBD-UHFFFAOYSA-N 321.830 -0.083 30 20 DBED C=CCN1C[C@H]2C(NC(=O)c3ccc(-n4cnnn4)cn3)[C@@H]2C1 961357058 KAQWMYPSOOTIJM-VXGBXAGGSA-N 311.349 -0.097 30 20 DBED Cc1cc(CC(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2O)n[nH]1 962202184 BFAHPMUDUSYDKZ-KGLIPLIRSA-N 316.361 -0.638 30 20 DBED O=C(N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O)[C@H]1CCCOCC1 962578088 RFQYJVDQSRSIRO-ZNMIVQPWSA-N 320.389 -0.096 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3C)C[C@@H]2O)nn1 963317839 RBAATOPXLBLHJK-UZWSLXQKSA-N 319.365 -0.578 30 20 DBED O=C(C#CC1CC1)N1CCOC2(C1)CN(C(=O)c1cnon1)C2 965375626 UOFTWVVRATXKIN-UHFFFAOYSA-N 316.317 -0.464 30 20 DBED Cc1ncc(CC(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2O)o1 966237803 XYPZHSDYBDRAFU-KGLIPLIRSA-N 317.345 -0.373 30 20 DBED C[C@@H]1CN(C(=O)c2cnn[nH]2)C[C@@H]1NC(=O)c1cc(C#N)c[nH]1 966569378 FCCIWUPXOFPCFI-PELKAZGASA-N 313.321 -0.105 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](NCCN2C(=O)NC(C)(C)C2=O)C1 967730153 WLTXTGZVZVNFGE-GHMZBOCLSA-N 321.381 -0.333 30 20 DBED C#Cc1ccc(C(=O)N(CC)C2CN(C(=O)C(N)=O)C2)nc1 968196754 MQIYBIPTKVDMDE-UHFFFAOYSA-N 300.318 -0.779 30 20 DBED COc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)cn1 968816701 CPDWZVKIZLDQOO-WCQGTBRESA-N 318.333 -0.449 30 20 DBED C[C@H](NC(=O)c1cc(C#N)c[nH]1)C1CN(CCS(C)(=O)=O)C1 969463653 RCXBWHYEINZEBR-JTQLQIEISA-N 324.406 -0.019 30 20 DBED C=CCCn1cc(C(=O)N[C@@H](C)C2CN(CC(N)=O)C2)nn1 970551236 FILWEKAPVZRRTH-JTQLQIEISA-N 306.370 -0.610 30 20 DBED C=CCN1CC[C@H](N2CC([C@@H](C)NC(=O)c3cnon3)C2)C1=O 970623649 XEFHCCLSUCWYGP-MFKMUULPSA-N 319.365 -0.093 30 20 DBED Cn1ncc(C(=O)N[C@H]2C[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)n1 973192208 ISSROCIDGVGROF-MGCOHNPYSA-N 313.321 -0.294 30 20 DBED C=C1CC(C)(C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3CNC(=O)N3)C2)C1 974393018 MUPXLSLXZXAOPF-OUAUKWLOSA-N 306.366 -0.213 30 20 DBED CNC(=O)CN1C[C@H]2C(CNC(=O)c3cc(C#N)c[nH]3)[C@@H]2C1 977951726 GMUVRAMURNKMTF-RYUDHWBXSA-N 301.350 -0.460 30 20 DBED C#CCN1CCCN(C(=O)[C@@H](Cn2cccn2)N(C)C)CC1 981326938 MONJQOGKYKNCFO-OAHLLOKOSA-N 303.410 -0.019 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](n2ccnn2)[C@H](NC(=O)C(F)F)C1 990778054 HGAJVDPJDGHWTL-YIZRAAEISA-N 312.280 -0.429 30 20 DBED Cn1ccc(CC(=O)NC2CN(C(=O)c3c[nH]c(C#N)c3)C2)n1 991311868 IFGLEKRXPQZTPU-UHFFFAOYSA-N 312.333 -0.197 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@@H](NC(=O)c2cn(C)nn2)[C@H](O)C1 991446929 SKDWKOAODGHFAZ-ZYHUDNBSSA-N 321.381 -0.281 30 20 DBED C#CCN1CC[C@]2(NC(=O)[C@@H]3CC(=O)NC(=O)N3)CCC[C@H]12 992257066 GKKXYTAPXQMVDG-ZIBATOQPSA-N 304.350 -0.669 30 20 DBED C=CCn1cc(C(=O)N2CC(NC(=O)c3ccnnc3)C2)nn1 1000484471 XICBQGSOWJFNGO-UHFFFAOYSA-N 313.321 -0.492 30 20 DBED C[C@H]1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)CN1C(=O)C(N)=O 1018085176 ASYYJDCNMYVEJE-WCBMZHEXSA-N 303.322 -0.519 30 20 DBED C#CCCN1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CN(C(C)=O)CCO1 1018226558 LLUDKJIWFZLQEE-XHSDSOJGSA-N 319.405 -0.068 30 20 DBED Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2O)nn1 1023642150 FBXKDLHGAIOKAB-XXILOJSOSA-N 303.322 -0.754 30 20 DBED CN1CCN(CC(=O)N2C[C@@H]3[C@@H](CC[C@H]3NCC#N)C2)CC1=O 1026298446 PMUUEBDHIBLMNW-BFHYXJOUSA-N 319.409 -0.889 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CCC(NCC(N)=O)CC1 1026508773 KDQADYLBRZEURS-RUXDESIVSA-N 306.410 -0.414 30 20 DBED C=CCn1cc(C(=O)NC2CN(Cc3cnn(C)n3)C2)nn1 1031070258 VWSMYUMITIJREE-UHFFFAOYSA-N 302.342 -0.793 30 20 DBED COCCN1C[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3CC#N)CC1=O 1032432266 ZTVUOKCTSBTEEC-AGIUHOORSA-N 306.366 -0.710 30 20 DBED C#CCN1CCCC[C@@H](NC(=O)c2nccnc2C(N)=O)C1 1034523639 NLGBONRCXJITDA-LLVKDONJSA-N 301.350 -0.207 30 20 DBED C#CCN1CCO[C@H](CNC(=O)c2c[nH]nc2[C@H]2CCOC2)C1 1035462276 YAKLRUCHEDTVBC-QWHCGFSZSA-N 318.377 -0.023 30 20 DBED N#CCN1CCO[C@@H](CNC(=O)[C@H]2CCCCN2C(N)=O)C1 1035572260 VXUHQRWCAQNQHB-NWDGAFQWSA-N 309.370 -0.740 30 20 DBED C#CCN[C@H]1CCN(C(=O)CN2CCC(=O)NC2=O)C[C@@H]1C 1036268778 YWTMWRBVSHFWDQ-RYUDHWBXSA-N 306.366 -0.612 30 20 DBED C#CCCN1CC[C@@H]2CN(C(=O)Cn3ncn(C)c3=O)CC[C@H]21 1036754062 ZTGUJSOFHDBHBQ-ZIAGYGMSSA-N 317.393 -0.472 30 20 DBED C=C(C)CN1C[C@H]2C[C@H]1[C@H]2NC(=O)CN1CCC(=O)NC1=O 1037658718 FMSWMDXHFLQQLO-SUNKGSAMSA-N 306.366 -0.307 30 20 DBED CC[C@@H]1CN(C(=O)CN2CCC(=O)NC2=O)CC[C@@H]1NCC#N 1037949975 XFUYQUDIYJETGC-NEPJUHHUSA-N 321.381 -0.331 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@]1(O)CCN(C(=O)c2cocn2)C1 1039579022 CLHXWLZJAYLKBA-HUUCEWRRSA-N 323.349 -0.305 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@]1(O)CCN(C(=O)C2(C)CC2)C1 1039725841 LRYDGPFZIRNSFE-MLGOLLRUSA-N 308.378 -0.096 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@]1(O)CCN(C(=O)C2(C)CC2)C1 1039725842 LRYDGPFZIRNSFE-WBMJQRKESA-N 308.378 -0.096 30 20 DBED C[C@H]1[C@@H](N=c2cc[nH]c(C#N)n2)CCN1C(=O)CS(C)(=O)=O 1040052135 HUBXYZIEKNVCRI-UWVGGRQHSA-N 323.378 -0.784 30 20 DBED Cc1ncn(C)c1C(=O)NC[C@@]1(O)CCN(C(=O)[C@@H](C)C#N)C1 1040123337 IZRUUJZMMGWBSL-BONVTDFDSA-N 319.365 -0.419 30 20 DBED CCc1n[nH]cc1C(=O)NC[C@@]1(O)CCN(C(=O)[C@@H](C)C#N)C1 1040262730 JILVXMWHZIELGU-BONVTDFDSA-N 319.365 -0.175 30 20 DBED CC(C)C#CC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2CCC(=O)N2)C1 1040434590 CEHVYYQZXZGIAX-LRDDRELGSA-N 321.377 -0.996 30 20 DBED Cc1nocc1C(=O)NC[C@]1(O)CCN(C(=O)[C@@H](C)C#N)C1 1040754597 HQANUTQPPOKNCX-LKFCYVNXSA-N 306.322 -0.164 30 20 DBED N#CCN1CC[C@]2(CCN(C(=O)CN3CCC(=O)NC3=O)C2)C1 1041776258 YBWPTRKIQIECTN-HNNXBMFYSA-N 319.365 -0.624 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)COCCC)C1 1041861331 GCOCDOLGXCZLBG-GFCCVEGCSA-N 312.366 -0.859 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)COC(C)C)C1 1042040556 ULQPUBMWCKKNFB-UHFFFAOYSA-N 300.355 -0.697 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)C2(C(F)F)CC2)C1 1042047528 STTQUOQSLNPYFR-UHFFFAOYSA-N 318.320 -0.076 30 20 DBED CCO[C@@H](CC)C(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042957986 CRHYMKMAIJAORQ-ZDUSSCGKSA-N 308.378 -0.096 30 20 DBED C=CCn1cc(C(=O)NCC2(O)CN(C(=O)CCCC)C2)nn1 1043105241 FBYRXMRYDCUOEH-UHFFFAOYSA-N 321.381 -0.043 30 20 DBED C=CCC1(C(=O)NCC2(O)CN(C(=O)C(N)=O)C2)CCCCC1 1043304572 OBHLHHAXCONZPI-UHFFFAOYSA-N 323.393 -0.312 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)[C@H](C)OCC=C)C1 1043574989 IQNSRZLLUXDHTN-ZDUSSCGKSA-N 324.377 -0.693 30 20 DBED Cc1nccc(N2C[C@H](O)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)n1 1043891460 HPLXIZSXZIMHJW-OLZOCXBDSA-N 312.333 -0.036 30 20 DBED C=CCN1CC[C@@H](N2CC(N(C)C(=O)Cn3cncn3)C2)C1=O 1044269524 MPQAYCUHUHLFEB-CYBMUJFWSA-N 318.381 -0.792 30 20 DBED C=CCN[C@@H]1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)[C@@H](C)C1 1044626678 SFNNTXFNPAPPAL-QWHCGFSZSA-N 320.393 -0.298 30 20 DBED C[C@@H]1C[C@H](NCC#N)CCN1C(=O)CN1CCN(C)C(=O)C1 1044658413 NESVTNZIPIEHFK-CHWSQXEVSA-N 307.398 -0.747 30 20 DBED COCc1ncsc1C(=O)N(C)[C@H]1CN(CC#N)C[C@@H]1O 1047553991 GTVVNUVIVWWGJN-QWRGUYRKSA-N 310.379 -0.070 30 20 DBED C=CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCS2(=O)=O)C1 1047633841 ODWGRBWGIGHIME-AVGNSLFASA-N 316.423 -0.357 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCO2)C1 1048167464 YYFAFYRXGSNLCZ-RWMBFGLXSA-N 312.366 -0.602 30 20 DBED COCCn1cc(C(=O)N2C[C@@H]3CN(CC#N)C[C@@H]3C2)nn1 1048816520 YYWJYXUDHYNNBR-TXEJJXNPSA-N 304.354 -0.548 30 20 DBED C#CCCN1CCOC[C@H]1CNC(=O)c1coc(C(N)=O)c1 1051040099 IRZNXPFIKCTYIB-GFCCVEGCSA-N 305.334 -0.168 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H](CNC(=O)C2CC2)[C@@H](C)C1 1052398122 UJMUXZXLUQUJAK-AAEUAGOBSA-N 305.378 -0.253 30 20 DBED C#CCN1CC2(C1)CN(C(=O)[C@@H]1CCc3nccn3C1)CCO2 1053313769 CFAPGISZASTQGD-CQSZACIVSA-N 314.389 -0.008 30 20 DBED CN1C(=O)CC[C@@H]1CC(=O)N1CCOC2(CN(CC#N)C2)C1 1053370146 WGAJJJFBWLYDAR-GFCCVEGCSA-N 306.366 -0.566 30 20 DBED CC#CCN1CC2(CC[C@@H](CNC(=O)[C@H]3CCNC(=O)C3)O2)C1 1053590648 NAKPTMVMZJXABD-KBPBESRZSA-N 319.405 -0.115 30 20 DBED C=CCN1CC2(C[C@H](NC(=O)[C@H]3C[C@H]3C(=O)N(C)C)CO2)C1 1053922459 CSBCVHWTHNCRKM-RWMBFGLXSA-N 307.394 -0.144 30 20 DBED C=C(C)CN[C@@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@H]1C 1054670534 ICLQWOHOTFCOCG-GHMZBOCLSA-N 306.370 -0.610 30 20 DBED Cc1cc(=N[C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)C(N)=O)C3)c(C#N)c[nH]1 1054839614 OXNYJTYCBVUIPK-UHTWSYAYSA-N 313.361 -0.040 30 20 DBED C=CCOCC(=O)N1CCC[C@@](CO)(NC(=O)[C@H](C)C#N)C1 1056092420 AHTOBHBUAJGUAH-IUODEOHRSA-N 309.366 -0.182 30 20 DBED C[C@@H](C#N)C(=O)N[C@@]1(CO)CCCN(C(=O)c2cnn[nH]2)C1 1056097809 VRQJLXSORUJRHX-ZANVPECISA-N 306.326 -0.952 30 20 DBED N#Cc1cnc(N2C[C@H]3[C@H](NC(=O)c4cncnc4O)[C@H]3C2)cn1 1056330644 VGDDWLDJYNMHDN-PJXYFTJBSA-N 323.316 -0.292 30 20 DBED N#Cc1cnc(N[C@@H]2CCN(C(=O)C[C@H]3CCNC3=O)C2)cn1 1056716170 DSSKHFMCIDSCTK-GHMZBOCLSA-N 314.349 -0.113 30 20 DBED N#CCSCC(=O)NCCN(CCO)C(=O)c1cccnc1 1056806969 KPHCVZZGHQPRAW-UHFFFAOYSA-N 322.390 -0.111 30 20 DBED Cc1ccn(CC(=O)NCCN(CCO)C(=O)C#CC2CC2)n1 1057536294 RNCHEZRXKYJDGP-UHFFFAOYSA-N 318.377 -0.458 30 20 DBED C[C@@H](CC(=O)N(CCO)CCNC(=O)[C@H](C)C#N)n1ccnc1 1057609371 GTQIFRSLJXORRE-OLZOCXBDSA-N 321.381 -0.069 30 20 DBED C=CCO[C@H](C)C(=O)N(CCO)CCNC(=O)c1[nH]cnc1C 1057923720 ZYMIBWRGWURCDI-GFCCVEGCSA-N 324.381 -0.140 30 20 DBED CO[C@H](C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N)C1CCC1 1058184714 ZGGDCJGCJRXEFH-AAEUAGOBSA-N 311.382 -0.102 30 20 DBED N#Cc1ccc(N2CCC[C@@H](NC(=O)Cn3ncnn3)C2)cn1 1058197122 PBMHWDMOQKBCRZ-GFCCVEGCSA-N 312.337 -0.275 30 20 DBED Cc1nonc1CC(=O)N[C@H]1CCN(c2ccnc(C#N)n2)C1 1058429857 CVEJRXDXCGGTQG-JTQLQIEISA-N 313.321 -0.023 30 20 DBED CN1C[C@H](C(=O)N[C@@H]2CCN(c3nccnc3C#N)C2)CC1=O 1058578604 XEYRYNOEHVWTGG-GHMZBOCLSA-N 314.349 -0.479 30 20 DBED Cc1cc(C#N)nc(N[C@H]2C[C@H](NC(=O)[C@H]3CNC(=O)N3)C2)n1 1059391646 GTLHJEYRWUBVSM-FXPVBKGRSA-N 315.337 -0.603 30 20 DBED C[C@@]1(C(=O)N[C@H]2C[C@@H](N=c3cc[nH]cc3C#N)C2)CCNC1=O 1059823680 VMRONYCJZLBRPH-BFQNTYOBSA-N 313.361 -0.040 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCOC[C@@H]1CNC(=O)COCC 1061242194 MBMYOPHEYANGSP-SWLSCSKDSA-N 314.382 -0.306 30 20 DBED C#CCOCCC(=O)NC[C@@H]1COCCN1C(=O)[C@H]1CCCO1 1061581060 KAIYFWXAQSIVIA-ZIAGYGMSSA-N 324.377 -0.451 30 20 DBED O=C(Cc1cnc[nH]1)NC[C@H]1COCCN1C(=O)C#CC1CC1 1061931220 FAGNXPBGEYAFNM-AWEZNQCLSA-N 316.361 -0.291 30 20 DBED N#Cc1nccc(N2C[C@@H]3C[C@H]2CN3C(=O)c2cncnc2O)n1 1062540311 ULWADJPOVTZXPV-UWVGGRQHSA-N 323.316 -0.053 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(NC(=O)CC(=O)NCC)CCC1 1063041826 FYEMXICDKJKYIK-GFCCVEGCSA-N 323.393 -0.294 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(NC(=O)[C@H](C)CC(N)=O)CCC1 1063046823 RPBWDSULBUSLHO-VXGBXAGGSA-N 323.393 -0.309 30 20 DBED N#Cc1cnc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)c2cc[n+]([O-])cc2)cn1 1064216329 LMAIZQFTOWDGJQ-ZLDLUXBVSA-N 322.328 -0.011 30 20 DBED O=C(C#CC1CC1)NC1(CNC(=O)[C@@H]2CNC(=O)N2)CCC1 1064272264 KNILUGWKYSETER-NSHDSACASA-N 304.350 -0.764 30 20 DBED CC(C)[C@@H](O)C(=O)N1CCO[C@@H](CNC(=O)C#CC2CC2)C1 1065113882 RYYBSYZGPJQHDJ-DZGCQCFKSA-N 308.378 -0.240 30 20 DBED Cc1ncc(C(=O)N2CCO[C@@H](CNC(=O)[C@@H](C)C#N)C2)n1C 1065501516 IRULUNKBYHWXFU-JQWIXIFHSA-N 319.365 -0.155 30 20 DBED C=C1CCC(C(=O)N2CCO[C@H](CNC(=O)CC(N)=O)C2)CC1 1065576209 NGBQVHVJNLIPSI-CYBMUJFWSA-N 323.393 -0.048 30 20 DBED C#CCO[C@H](C)C(=O)N(C)CCCN(C)C(=O)c1nnn(C)n1 1067431861 XVKDCTBQWZJHIX-LLVKDONJSA-N 322.369 -0.831 30 20 DBED C[C@@H]1C[C@@H](Nc2cncc(C#N)n2)CN1C(=O)Cn1cnnn1 1069005277 DUQWRHRTURTISH-NXEZZACHSA-N 313.325 -0.564 30 20 DBED N#Cc1cnc(N[C@@H]2CCC[C@@H]3CN(C(=O)C(N)=O)C[C@@H]32)cn1 1069318509 HEWMIKKWTDLHJW-ADEWGFFLSA-N 314.349 -0.127 30 20 DBED CN(C(=O)Cn1ncnn1)C1CC(Nc2nccnc2C#N)C1 1069774262 PPKODNXXRBHTOE-UHFFFAOYSA-N 313.325 -0.564 30 20 DBED CN(C(=O)Cn1ncnn1)C1CC(N=c2cc[nH]cc2C#N)C1 1069774296 QUEKXQXUHNUPMG-UHFFFAOYSA-N 312.337 -0.537 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CCCN(C(=O)Cn2ncnn2)C1 1070775671 OEAJNQHUDPVBAI-GFCCVEGCSA-N 302.338 -0.806 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)[C@H]2OCC[C@H]2C)CC1 1071001379 VKBSLOBDKQNGAR-HIFRSBDPSA-N 307.394 -0.305 30 20 DBED C#CCN1CC[C@]2(C1)CN(C(=O)c1cc(=O)n(C)o1)C[C@H](C)O2 1071159878 SSJIPSBIPNXMAD-LRDDRELGSA-N 319.361 -0.083 30 20 DBED C=CCCC(=O)N1C[C@@H](NC(=O)CN2CC(=O)NC2=O)[C@H](C)C1 1071788027 UJOFZUQQVCXBQG-GHMZBOCLSA-N 322.365 -0.533 30 20 DBED C=CCOCC(=O)N1C[C@H](C)[C@@H](NC(=O)c2cc(=O)n(C)o2)C1 1071809797 YUARWZFEBAQUSO-QWRGUYRKSA-N 323.349 -0.242 30 20 DBED CCO[C@@H](C)C(=O)N1CCN(C2CN(C(=O)[C@@H](C)C#N)C2)CC1 1073540782 YSMMTCGAQZWKID-STQMWFEESA-N 322.409 -0.074 30 20 DBED CCn1cc(CC(=O)N2CC[C@@H]3OCCN(CC#N)[C@@H]3C2)nn1 1074302019 KGACXUQLOOVWTA-KGLIPLIRSA-N 318.381 -0.334 30 20 DBED N#CCN1CCO[C@H]2CCN(C(=O)c3c[nH]c(=O)cn3)C[C@H]21 1074325006 UAUGUPBUMAIUSI-NEPJUHHUSA-N 303.322 -0.791 30 20 DBED CNC(=O)NCC(=O)N1CC[C@@H](NC(=O)C#CC2CC2)C[C@@H]1C 1074983443 FFAXMVMPGMRJKS-WCQYABFASA-N 320.393 -0.176 30 20 DBED C#CCN1C[C@@H]2CCN(C(=O)c3nc(O)nc(O)c3OC)[C@@H]2C1 1076457455 DSAQDHRMEBPKTR-VHSXEESVSA-N 318.333 -0.324 30 20 DBED C#CCO[C@H](C)C(=O)NCC[C@H](C)NC(=O)C1(C(N)=O)CC1 1076509425 XGDFKHQZUMYUGC-WDEREUQCSA-N 309.366 -0.699 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)c2ccnn2CC(F)F)C1 1076996794 NNMRTESBCOCMFW-ZYHUDNBSSA-N 312.320 -0.054 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCCN(C)C2=O)C1 1077993342 NEKRDSBIFJMHHH-BFHYXJOUSA-N 307.394 -0.571 30 20 DBED C#CCOCCC(=O)N[C@@H](C)CCNC(=O)c1cn(C)c(O)n1 1078210906 RZWGAHJHRCTQNK-NSHDSACASA-N 322.365 -0.210 30 20 DBED C=CCN1C[C@@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)[C@H](C)C1 1080229711 AEOQFVKNFKSTBO-MWLCHTKSSA-N 316.369 -0.070 30 20 DBED C#CCOCCC(=O)N1CC(N(CC)C(=O)c2cnon2)C1 1080333724 BEJYRXBIXNPDKG-UHFFFAOYSA-N 306.322 -0.218 30 20 DBED C=CCOCC(=O)N1CC(N(CC)C(=O)c2c[nH]c(=O)cn2)C1 1080379240 QQLMCEXPMUTXIS-UHFFFAOYSA-N 320.349 -0.355 30 20 DBED COCCC(=O)NC[C@@H]1CN(C(=O)CSCC#N)C[C@@H]1O 1081146173 DRQQCGSUTFGXFN-MNOVXSKESA-N 315.395 -0.785 30 20 DBED C#CCCCCC(=O)N1C[C@H](CNC(=O)CNC(C)=O)[C@@H](O)C1 1081204089 DVNDYABFAVVYQV-KBPBESRZSA-N 323.393 -0.748 30 20 DBED C#CCCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CSCC#N)C1 1081287053 RYLKOYSJZRPKCS-QWHCGFSZSA-N 323.418 -0.018 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)c2cn(C)c(O)n2)C[C@H]1O 1081335582 MMPZJUMXGODOJN-ZYHUDNBSSA-N 322.365 -0.359 30 20 DBED C=CCC1(C(=O)NC[C@H]2CN(C(=O)C(N)=O)C[C@H]2O)CCCC1 1081593417 YOEMNMXKGVXGDG-NWDGAFQWSA-N 323.393 -0.456 30 20 DBED CC(C)C#CC(=O)N1C[C@H](CNC(=O)c2cnn(C)n2)[C@@H](O)C1 1081600635 IOJJRJXRJYLTLK-AAEUAGOBSA-N 319.365 -0.976 30 20 DBED C=CCCC(=O)N1C[C@H](CNC(=O)c2ncccn2)[C@@H](O)C1 1081686911 BRTKJMLPQARAJP-RYUDHWBXSA-N 304.350 -0.008 30 20 DBED CC#CCN1C[C@@H](NC(=O)c2cncc(C(N)=O)c2)[C@H](OC)C1 1082375711 JOYFMROTIKHCBS-ZIAGYGMSSA-N 316.361 -0.367 30 20 DBED C=CCN1CC[C@H](N[C@@H]2CN(C(=O)c3cnon3)C[C@H]2C)C1=O 1082816920 HEKFYNNUZLXSQF-NTZNESFSSA-N 319.365 -0.093 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1ccc(C(N)=O)cc1 1083272595 WTHKMUBONIKBGB-LSDHHAIUSA-N 313.357 -0.056 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)C[C@@H]2CCS(=O)(=O)C2)C1 1083616455 OULBTAMIHWUQMF-XQQFMLRXSA-N 316.423 -0.451 30 20 DBED Cc1cc(C)n(CC(=O)N2C[C@H]3CCN(CC#N)C[C@H]32)c(=O)n1 1084743342 HVANUJYDAIXKEG-ZIAGYGMSSA-N 315.377 -0.084 30 20 DBED Cn1nnc(C(=O)N2C[C@H]3CC[C@H]2[C@H]2CN(CC#N)C[C@H]32)n1 1089846287 MHWWQTGBNCGFJO-WYUUTHIRSA-N 301.354 -0.484 30 20 DBED COC[C@H](OC)C(=O)N1CC[C@H](N=c2cc[nH]c(C#N)n2)[C@@H]1C 1090240904 DKMJYVFZFXQFQB-SRVKXCTJSA-N 319.365 -0.167 30 20 DBED COc1coc(C(=O)N[C@H]2CCN(CC#N)C[C@@H]2O)cc1=O 1090432032 HKNPQXZHADPHMQ-ONGXEEELSA-N 307.306 -0.663 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(c2cnc(F)cn2)C[C@H]1O 1090445607 MBOBIOPKXGIITC-GHMZBOCLSA-N 310.329 -0.126 30 20 DBED Cc1nnc(O)c(C(=O)N[C@@H]2CCN(CC#N)C[C@@H]2O)c1C 1090482157 KWABGGZCRBANLA-MNOVXSKESA-N 305.338 -0.512 30 20 DBED C=C1CC(C)(C(=O)N[C@H]2CCN(Cc3nnn(C)n3)C[C@H]2O)C1 1090553577 OKDGXWMQXIRDQK-NWDGAFQWSA-N 320.397 -0.382 30 20 DBED C=CCN1CC[C@@H](NC(=O)Cn2nc(C)ccc2=O)[C@H](O)C1 1090749988 YRZXGEPBCKYJSL-CHWSQXEVSA-N 306.366 -0.711 30 20 DBED COCCn1cc(C(=O)N[C@@H]2CCN(CC#N)C[C@@H]2O)cn1 1090764458 ROEZALXCSGQQIZ-OLZOCXBDSA-N 307.354 -0.782 30 20 DBED CCc1nc(C#N)cc(N2C[C@@H](NC(=O)COC)[C@H](OC)C2)n1 1090856169 CEKUCBPXQVGIEL-VXGBXAGGSA-N 319.365 -0.123 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1091093084 PYIHWYRSDFGIAA-JRPNMDOOSA-N 317.349 -0.659 30 20 DBED N#Cc1c[nH]ccc1=NCCNC(=O)c1ccc(C(N)=O)nc1 1093698664 JHHNVDHGAQJSDC-UHFFFAOYSA-N 310.317 -0.289 30 20 DBED C[C@]1(C(=O)NCCNc2ccc(C#N)nn2)CCC(=O)NC1 1094059533 KNDXNLHNFHTXHR-AWEZNQCLSA-N 302.338 -0.207 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)c3cncc(F)c3)CC2=O)C1 1094723673 OVGKVSPKMAYGQQ-ZDUSSCGKSA-N 316.336 -0.131 30 20 DBED N#Cc1cnc(N2CCC[C@@H](NC(=O)C3(C(N)=O)CC3)C2)cn1 1096227957 DJZPVKMCRGHEDQ-SNVBAGLBSA-N 314.349 -0.301 30 20 DBED CC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN1C(=O)CNC1=O 1096502219 RBCZFPFUHZWCSL-WOPDTQHZSA-N 304.350 -0.717 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@H](C)Nc1ccc2nnnn2n1 1097794844 TYNPPUDAWHXRDZ-NOZJJQNGSA-N 305.342 -0.237 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CCCN1C(N)=O)Nc1cnc(C#N)cn1 1097920346 VBTKMFJWZXYVOK-ONGXEEELSA-N 317.353 -0.192 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)[C@@H]1CCC(=O)N1)C[C@@H](C)O2 1098656195 QRSHHPLCGUUCRT-KGLIPLIRSA-N 319.405 -0.020 30 20 DBED C[C@@H](CCNC(=O)[C@H]1COCCN1C)Nc1nccnc1C#N 1099021071 MIVGDWBQEJILJQ-WCQYABFASA-N 318.381 -0.014 30 20 DBED N#CCNC(=O)CN1CC[C@@H](NC(=O)c2ccco2)[C@@H](O)C1 1099624899 UVROEHNFSYKFOG-MNOVXSKESA-N 306.322 -0.916 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2n[nH]c(C)c2C)[C@H](O)C1 1099753874 BMPBHHVBIHVBJJ-UONOGXRCSA-N 320.393 -0.159 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CCN(CCN2CCCC2=O)C[C@H]1O 1099820928 MZVUPDNZPNJCFA-HUUCEWRRSA-N 321.421 -0.180 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CCN(Cc2cn(C)nn2)C[C@H]1O 1099821676 WVPADZBIFVTASY-ZIAGYGMSSA-N 305.382 -0.474 30 20 DBED Cn1cc(CN2CC[C@H](NC(=O)C#CC(C)(C)C)[C@@H](O)C2)nn1 1099829776 IINJZJVSGVXJPQ-KBPBESRZSA-N 319.409 -0.084 30 20 DBED C=C(C)CCC(=O)N[C@@H]1CCN(Cc2nnnn2C)C[C@@H]1O 1099856352 VVKHCNOIFSKHKB-NEPJUHHUSA-N 308.386 -0.382 30 20 DBED C=C(Cl)CN1CC[C@H](NC(=O)C(C)(C)C(N)=O)[C@H](O)C1 1099882428 RMOUUGPLHDPRBT-VHSXEESVSA-N 303.790 -0.198 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)CCC(F)F)[C@@H](O)C1 1099922422 VUAYEPZGXXDFPB-QWRGUYRKSA-N 317.336 -0.668 30 20 DBED N#CCNC(=O)CN1CC[C@H](NC(=O)CCCC2CC2)[C@H](O)C1 1099964138 HENLVCLYMOWNDB-UONOGXRCSA-N 322.409 -0.242 30 20 DBED COCC#CCN1CC[C@H](NC(=O)C2CCN(C)CC2)[C@H](O)C1 1099979669 YZBHYHDYMWSEIO-JKSUJKDBSA-N 323.437 -0.471 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)Cc2nonc2C)[C@H](O)C1 1100056131 PFRIFHIBUDKJAH-TZMCWYRMSA-N 322.365 -0.878 30 20 DBED C#CCNC(=O)CC(=O)NCC1CC(NC[C@H]2CCOC2)C1 1100264093 XTHPGZZRWJYKSV-IYXRBSQSSA-N 307.394 -0.353 30 20 DBED Cc1cc(C#N)nc(N(C)CCNC(=O)c2cnc(O)n2C)n1 1100270266 NHGMJSNAYLRPNM-UHFFFAOYSA-N 315.337 -0.038 30 20 DBED CN(CCNC(=O)c1cc(C(N)=O)co1)c1ccc(C#N)nn1 1100320068 MPEZHXVPIGSCGF-UHFFFAOYSA-N 314.305 -0.094 30 20 DBED COCC(=O)N(C)CC(=O)NCCN(C)c1nccnc1C#N 1100375114 SIMPTYVVXZZYIY-UHFFFAOYSA-N 320.353 -0.995 30 20 DBED C#CCNC(=O)CC(=O)NCCN(CC)c1cncc(C#N)n1 1100496778 DQPDKIALZSUHNU-UHFFFAOYSA-N 314.349 -0.570 30 20 DBED CCN(CCNC(=O)[C@H]1CNC(=O)N1)c1ccc(C#N)cn1 1100698870 PGSKEYIZXALQCN-LLVKDONJSA-N 302.338 -0.423 30 20 DBED COC[C@H](OC)C(=O)NC[C@H]1CCN(c2ccnc(C#N)n2)C1 1101050571 LRIUUXZTISJFEB-NEPJUHHUSA-N 319.365 -0.048 30 20 DBED C[C@@]12CN(CC(=O)NCC#N)C[C@@H]1CN(C(=O)C(F)F)C2 1101101764 MIPXWNBFVRPLJX-RNCFNFMXSA-N 300.309 -0.328 30 20 DBED N#Cc1nccnc1N(CCNC(=O)[C@@H]1CCNC1=O)C1CC1 1101419112 UUWYEKAHCOKATO-LLVKDONJSA-N 314.349 -0.431 30 20 DBED CCS(=O)(=O)CC(=O)N(C)CCN=c1cc(C)[nH]cc1C#N 1101648456 DCPNGOVRXRTKEE-UHFFFAOYSA-N 324.406 -0.011 30 20 DBED CN(CCN=c1cc[nH]cc1C#N)C(=O)[C@H]1CC[C@@H]1C(N)=O 1101892769 HHUTWLBDUUPRJY-RYUDHWBXSA-N 301.350 -0.243 30 20 DBED CN(CCNc1ccc(C#N)nn1)C(=O)c1cnc(O)n1C 1101902979 LGWOOCSJWAOCFM-UHFFFAOYSA-N 301.310 -0.029 30 20 DBED CC(=O)N[C@@H](C)C(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1C#N 1102538327 WFGLPPIHHPRAIX-DLOVCJGASA-N 314.349 -0.338 30 20 DBED COC[C@H](OC)C(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1C#N 1102571539 YWDULQSEQJSDDV-GVXVVHGQSA-N 317.349 -0.201 30 20 DBED CN(C(=O)C1(C(N)=O)CC1)[C@@H]1CCN(c2ccc(C#N)nn2)C1 1102755606 CKZYEJIGHRORLQ-LLVKDONJSA-N 314.349 -0.349 30 20 DBED CCN(C(=O)CNC(N)=O)[C@@H]1CCN(c2ccc(C#N)nn2)C1 1102779493 FGRJPINCIHOIFO-LLVKDONJSA-N 317.353 -0.556 30 20 DBED CC[C@@H](CNC(=O)[C@H](C)CC(N)=O)N=c1cc[nH]c(C#N)n1 1103279810 WDMPLTLBUXBTSP-ZJUUUORDSA-N 304.354 -0.412 30 20 DBED Cc1cc(C#N)nc(NC[C@H](C)CNC(=O)[C@@H]2COC(=O)N2)n1 1103945349 PMWATLQUIHWUJP-KCJUWKMLSA-N 318.337 -0.071 30 20 DBED COC[C@@H](C)C(=O)NC[C@@H]1CN(c2cncc(C#N)n2)CCO1 1104310100 OGAKXZNXQTYJOQ-DGCLKSJQSA-N 319.365 -0.048 30 20 DBED N#Cc1cccnc1NC[C@H](O)CNC(=O)CC1OCCCO1 1105810111 NYFFQIVMGFQASF-GFCCVEGCSA-N 320.349 -0.005 30 20 DBED CO[C@H](C(=O)NC[C@H](O)CNc1cncc(C#N)n1)C1CC1 1105834399 YHQFNYJIBXYKLJ-YPMHNXCESA-N 305.338 -0.338 30 20 DBED C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1CN[C@H]1CCNC1=O 1105846244 NGVIZOSKJQKVFM-UTUOFQBUSA-N 310.423 -0.184 30 20 DBED CC(C)N(C)CC(=O)NC[C@H](O)CN=c1cc[nH]cc1C#N 1105869572 WLBOQEITBRTGQZ-CYBMUJFWSA-N 305.382 -0.396 30 20 DBED Cn1cncc1C(=O)NC[C@H](O)CNc1ccc(C#N)nn1 1106011899 WLWIDGUEPHXBRC-SNVBAGLBSA-N 301.310 -0.715 30 20 DBED CC(=O)N[C@H](C)C(=O)NC/C=C/CNc1cncc(C#N)n1 1107021119 MWLPRPKKASPDSK-HMDXOVGESA-N 302.338 -0.043 30 20 DBED C=CCCCC(=O)NCc1cn(C2CN([C@@H](C)C(N)=O)C2)nn1 1107199389 IUMCEFGAJSEXGC-NSHDSACASA-N 320.397 -0.019 30 20 DBED COCC#CCN1CCO[C@@](C)(CNC(=O)Cn2cccn2)C1 1107737789 JBTWQSIQKFOTKL-INIZCTEOSA-N 320.393 -0.260 30 20 DBED CCN1CCO[C@H](C(=O)N[C@H](C)CNc2cnc(C#N)cn2)C1 1107773510 SCWFBTMZFIFUSR-YPMHNXCESA-N 318.381 -0.014 30 20 DBED C[C@H](CNc1nccnc1C#N)NC(=O)[C@@H](C)S(C)(=O)=O 1108195032 KXDCNUGGUOQBCZ-RKDXNWHRSA-N 311.367 -0.302 30 20 DBED C[C@@]1(CNC(=O)c2cc(C(N)=O)co2)CN(CC#N)CCO1 1108209177 KALIBPGPVOYYDR-CQSZACIVSA-N 306.322 -0.277 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)Cn2ccc(C)cc2=O)C1 1108249305 AGLGBCRDEICQPL-QGZVFWFLSA-N 317.389 -0.003 30 20 DBED C=CCCN1CCO[C@](C)(CNC(=O)C2CC(=O)NC(=O)C2)C1 1108279028 XSUPDHDBIKHFCB-MRXNPFEDSA-N 323.393 -0.178 30 20 DBED C[C@@H](CNc1nccnc1C#N)NC(=O)[C@@H]1CCN(C)C1=O 1108646597 GRWQOIQUXXRPQK-UWVGGRQHSA-N 302.338 -0.257 30 20 DBED C[C@@H](CNc1cnc(C#N)cn1)NC(=O)CN1CCOCC1=O 1108754218 VEMZBYHYSRKDPZ-JTQLQIEISA-N 318.337 -0.876 30 20 DBED N#Cc1ccc(NC[C@H](NC(=O)Cn2ncnn2)C2CC2)cn1 1109917817 PNWHKSNTHVPSDB-ZDUSSCGKSA-N 312.337 -0.053 30 20 DBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@]1(F)CCOC1 1110941179 STSDZWQOZKOKIE-FJJYHAOUSA-N 324.356 -0.524 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@]1(O)CCN(c2nccnc2F)C1 1111098673 UBJFLVRDZLTIFI-ABAIWWIYSA-N 322.340 -0.289 30 20 DBED Cn1cnc(C(=O)N(CCO)CCNc2nccnc2C#N)c1 1111456110 QGMUPPKBCZMGOK-UHFFFAOYSA-N 315.337 -0.372 30 20 DBED C=CCNC[C@]12CCC[C@H]1CN(C(=O)CN1CC(=O)NC1=O)C2 1112547037 RCFNVKOGFPZCCR-LRDDRELGSA-N 320.393 -0.058 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1CCN(C(=O)C(F)F)CC1 1112595000 OBTLUFVWNPQOLD-VIFPVBQESA-N 318.324 -0.204 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)CN2CCCC2=O)CC1 1112605591 JHZCSCCHLACFGL-ZDUSSCGKSA-N 322.409 -0.556 30 20 DBED CCOCC(=O)NC[C@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1112692835 SPRKXGSDYKGMMK-QWRGUYRKSA-N 305.338 -0.702 30 20 DBED Cn1ccnc1CCC(=O)N1CCN(CC(=O)NCC#N)CC1 1113135245 FFNPLBXIVZCCLG-UHFFFAOYSA-N 318.381 -0.863 30 20 DBED C[C@H](Nc1nccnc1C#N)[C@@H](C)NC(=O)C1(C(N)=O)CC1 1113274728 VEJULWKWRPKYTR-DTWKUNHWSA-N 302.338 -0.081 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)c2ccnc(C)n2)CC1 1113638997 NKVLSHVDUGZGFA-LBPRGKRZSA-N 315.377 -0.319 30 20 DBED Cc1ccoc1C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1113854647 LMBXHKCHNMHIIJ-PJXYFTJBSA-N 302.334 -0.112 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)c3n[nH]c(C)c3C)[C@@H]2C1 1114061785 VLYSSOVXDJDNHJ-VXGBXAGGSA-N 315.377 -0.564 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)C[C@@](C)(O)C3CC3)[C@@H]2C1 1114148125 ALISJNROLVKSOF-PBFPGSCMSA-N 321.421 -0.114 30 20 DBED C=C(C)CCN1C[C@H]2C(NC(=O)CC[C@H]3NC(=O)NC3=O)[C@@H]2C1 1115217104 ODBYCPKTDHHUBT-IJLUTSLNSA-N 320.393 -0.013 30 20 DBED C=CCCOCC(=O)NC1[C@@H]2CN(CC(=O)NCC=C)C[C@@H]12 1115324191 MJTABWVIGYUTAB-CHWSQXEVSA-N 307.394 -0.072 30 20 DBED CCN(C)S(=O)(=O)NCCN/C(O)=C1/N=CC=CC1=O 1116169680 KNFPLQZZUXFTCC-KHPPLWFESA-N 302.356 -0.701 30 20 DBED C=CCN1CCC(NC(=O)C(=O)N[C@@H](C)C(=O)N(C)C)CC1 1117455925 ULUDKMIOMMASAW-NSHDSACASA-N 310.398 -0.654 30 20 DBED C#CCSCCNC(=O)C(=O)N1CCO[C@H](COC)C1 1117461196 DEHFHFROIDNQDQ-NSHDSACASA-N 300.380 -0.657 30 20 DBED CS(=O)(=O)[C@@H]1CCCCN(C(=O)NCC(=O)NCC#N)C1 1117477796 MGRJYBXYIGMCFE-SNVBAGLBSA-N 316.383 -0.765 30 20 DBED O=C1NC(=O)C2(CCC(C(=O)N[C@@H]3CCCN(O)C3=O)CC2)N1 1118377617 AVNDOZHFNOOGJB-ZYTOWTHASA-N 324.337 -0.749 30 20 DBED C#CC1(O)CN(C(=O)NCc2cccc(S(=O)(=O)NC)c2)C1 1119936546 QPLLAMCQWCVJTK-UHFFFAOYSA-N 323.374 -0.516 30 20 DBED Cc1cc(C(=O)NC[C@H](CO)Nc2cncc(C#N)n2)no1 1121010046 JCSOHGGJOHGHPD-SNVBAGLBSA-N 302.294 -0.153 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)Cc2ccon2)nn1 1121257150 ISRUQUIFQUSPDF-NSHDSACASA-N 302.294 -0.532 30 20 DBED N#Cc1cnc(N[C@@H](CO)CNC(=O)C[C@@H]2COC(=O)C2)cn1 1121304790 ZAMVDMXNTZJGRN-GXSJLCMTSA-N 319.321 -0.810 30 20 DBED C#CCN1CCN(c2nnc(-c3c(N)n[nH]c3C)n2C)CC1 1121357296 LHXAUTDLASFARY-UHFFFAOYSA-N 300.370 -0.149 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@H](CO)Nc1nccc(OC)n1 1121404466 GKNFHQPYEJQGKE-QMTHXVAHSA-N 310.354 -0.299 30 20 DBED C=C(C)CCC(=O)NC[C@H](CO)Nc1nccn2nnnc12 1122158696 YCSSLDQKHCUQRJ-SNVBAGLBSA-N 305.342 -0.235 30 20 DBED Cc1nc(O)[nH]c1C(=O)NC[C@@H](CO)N=c1cc[nH]cc1C#N 1122212792 DNMWXTXLTZWFDC-JTQLQIEISA-N 316.321 -0.685 30 20 DBED CN1C(=O)CC[C@@H]1C(=O)NC[C@@H](CO)Nc1ccc(C#N)cn1 1122398977 WSDUKEQUBHMJQS-NWDGAFQWSA-N 317.349 -0.537 30 20 DBED C[C@H]1C[C@@H](Nc2cncc(C#N)n2)CN1C(=O)CNC(N)=O 1123148551 YHEGNDUIWRKWFG-DTWKUNHWSA-N 303.326 -0.582 30 20 DBED C=C(C)CN(CC)C(=O)CNCCNC(=O)[C@H]1COCCO1 1123870134 NDXCIHILRZIXNE-CYBMUJFWSA-N 313.398 -0.468 30 20 DBED CN(C[C@H](O)CNc1ccc(C#N)cn1)C(=O)[C@H]1COC(=O)N1 1124270694 BGBXOJNJXZEDLR-GHMZBOCLSA-N 319.321 -0.707 30 20 DBED CC(C)CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)C#CC1CC1 1126886025 NPXXTVKSMFDRKR-GFCCVEGCSA-N 322.409 -0.024 30 20 DBED C#CCO[C@@H](C)C(=O)NCCNC[C@H]1CCS(=O)(=O)C1 1127045574 DZODTEHYHDOPLU-NWDGAFQWSA-N 302.396 -0.835 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1n[nH]c2c1CCCC2 1130743361 WPPFMRXGJYJBJG-NSHDSACASA-N 317.393 -0.254 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1cnn(C)c1CC 1130776039 WZBBMPPAJXUROB-LLVKDONJSA-N 305.382 -0.560 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1n[nH]c2ccc(C)cc12 1130786662 MXLJLLCHDUFFNQ-UHFFFAOYSA-N 313.361 -0.060 30 20 DBED C#CCCN1CC[C@@]2(C1)CN(C(=O)CC(=O)NC)C[C@H](C)O2 1131653972 WEZDATANRKEYFO-XJKSGUPXSA-N 307.394 -0.162 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)C[C@@H]1CCC(=O)N1C 1132261804 RWUXTAHHFQDTQQ-NEPJUHHUSA-N 310.398 -0.606 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)[C@H]1CCNC1=O 1132375201 HWAPQHVXHRWRSU-LBPRGKRZSA-N 308.382 -0.971 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)c1cc(C)nn1C 1133831779 XDJHFBNQAYDBMC-NWDGAFQWSA-N 319.409 -0.036 30 20 DBED C[C@@H](C[C@@H](C)NCC(=O)NCC#N)NC(=O)CC1(O)CCC1 1134348867 OPYAUEHMTBUTES-NEPJUHHUSA-N 310.398 -0.196 30 20 DBED C#CCN[C@H](C)C[C@@H](C)NC(=O)CN1CCCS1(=O)=O 1134553350 PHELPKYAAAAHFM-VXGBXAGGSA-N 301.412 -0.472 30 20 DBED Cc1nnccc1C(=O)N[C@H](C)C[C@H](C)NCC(=O)NCC#N 1134869445 XAYXVSSYCQRLMX-WDEREUQCSA-N 318.381 -0.089 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)c1nonc1C 1146746668 SOKQORRVSWWSLL-UWVGGRQHSA-N 307.354 -0.386 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)CCOCC#C)C2 1147530750 QMSMHMJDQOTTPQ-UHFFFAOYSA-N 317.389 -0.690 30 20 DBED N#CCN1CCC2(C1)CN(C(=O)CCCN1C(=O)CCC1=O)C2 1147676462 OCLSYPFQWJAGKB-UHFFFAOYSA-N 318.377 -0.027 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1ccccc1CN(C)C 1152384841 ZSSYROLCRIJYNX-UHFFFAOYSA-N 316.405 -0.183 30 20 DBED C=CCO[C@H](C)C(=O)NCCN[C@H](C)C(=O)NCCCOC 1153160777 UGSGYZWERRATPS-CHWSQXEVSA-N 315.414 -0.176 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)c1nn(CC)nc1C 1153757117 SVMYASUKRHKAFA-LLVKDONJSA-N 308.386 -0.383 30 20 DBED CCN(CC#N)[C@H](C)CNC(=O)c1coc(S(N)(=O)=O)c1 1154069428 DIMFFQQRCJGBDZ-SECBINFHSA-N 314.367 -0.109 30 20 DBED C#CCCN(CC)[C@H](C)CNC(=O)c1cn(C)c(=O)n(C)c1=O 1155606911 FTKZLWFSSRPKAX-GFCCVEGCSA-N 320.393 -0.453 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)c1cc(OC)n(C)n1 1162228035 DIUQXZZPASBJFM-LLVKDONJSA-N 323.397 -0.171 30 20 DBED CCc1cc(CC(=O)NCCCNCC(=O)NCC#N)n(C)n1 1162962274 UAKZHWYHQJMEJD-UHFFFAOYSA-N 320.397 -0.739 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)Cn1ccnc1C 1176147108 JAXPZRPZCBZEAB-GFCCVEGCSA-N 305.382 -0.575 30 20 DBED C#CCCNCCCC[C@@H](C)NC(=O)Cn1c(O)nnc1O 1176358485 DTWHQOAVOPPGQO-LLVKDONJSA-N 309.370 -0.023 30 20 DBED C=CCO[C@H](C)C(=O)NCCCNC[C@@H](O)Cn1cccn1 1177277375 QWYVLNLGBPMSJJ-ZIAGYGMSSA-N 310.398 -0.069 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)CCc2cnn[nH]2)[C@H]1C 1179557737 OTXWONASWRWJHX-AAEUAGOBSA-N 320.397 -0.382 30 20 DBED C=CCOCC(=O)N1CC[C@@H](NC[C@H](O)Cn2cccn2)C1 1181598042 BXYLHLGFIRZBQG-KGLIPLIRSA-N 308.382 -0.363 30 20 DBED C=C(C)CN[C@@H]1CCN(C(=O)CN(C)S(=O)(=O)N(C)C)C1 1182496530 NLRIDHDNUQKTIF-GFCCVEGCSA-N 318.443 -0.509 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H]2CCN(C(=O)CC(C)(C)O)[C@@H]2C1 1187728977 GTSIMIDXQRTGBK-MELADBBJSA-N 321.421 -0.182 30 20 DBED C=CCN1C[C@@H]2CCN(C(=O)CNC(=O)Cn3cncn3)[C@@H]2C1 1190323784 DWUSKNWIRZUYHD-QWHCGFSZSA-N 318.381 -0.887 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)Cn2cncc2C)C1 1191360076 KRQJZHJIKGBEJA-CQSZACIVSA-N 317.393 -0.526 30 20 DBED CCC[C@H](C(=O)N1CC[C@H](N(C)CC#N)C1)S(N)(=O)=O 1191551329 JSRYTUJQAKBYDN-WDEREUQCSA-N 302.400 -0.500 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2n[nH]cc2F)C1 1192206368 NXJIHXXWKUQTTG-JTQLQIEISA-N 309.345 -0.003 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)CC2CC(C)(C)C2)C1 1195561570 UADBHAZVJYXRGP-ZIAGYGMSSA-N 321.421 -0.277 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H](C)c2ccco2)C1 1196136638 CJAUJWRDPNMUMP-JHJVBQTASA-N 321.377 -0.153 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)c2ccc(C)nc2O)C1 1196416214 WNMHGCASZKXOAC-ZIAGYGMSSA-N 319.361 -0.480 30 20 DBED COc1ccccc1[C@H](CNC(=O)c1nnn(C)n1)NCC#N 1198843421 PXQHXVMYZYXDLZ-NSHDSACASA-N 315.337 -0.197 30 20 DBED C=CCNC[C@@H]1CN(C(=O)CC2CS(=O)(=O)C2)CCCO1 1200851570 PBKMVMPMZJFBFT-CYBMUJFWSA-N 316.423 -0.186 30 20 DBED C=CCNC(=O)[C@H](C)NC1CCN(C(=O)[C@H]2CCNC2=O)CC1 1201966239 BZTBKOINEJDJGA-AAEUAGOBSA-N 322.409 -0.606 30 20 DBED Cn1cc(C(=O)N2CCCO[C@H](CNCC#N)C2)n(C)c1=O 1202172198 ALUZXUIZHHMMOQ-LLVKDONJSA-N 307.354 -0.932 30 20 DBED CN(C)CCC(=O)N[C@@H]1C[C@H](NCC(=O)NCC#N)C12CCC2 1203347562 AJHFFBANEMBQTG-QWHCGFSZSA-N 321.425 -0.405 30 20 DBED C#CCN[C@@H]1C[C@@H](NC(=O)COCc2ncnn2C)C12CCC2 1203554827 GDYDLAIQIRJVNC-CHWSQXEVSA-N 317.393 -0.018 30 20 DBED CCS(=O)(=O)N[C@@H](C)C(=O)N1CCC(CNCC#N)CC1 1205361817 AJTAZFHRDQIHNA-NSHDSACASA-N 316.427 -0.334 30 20 DBED C=CCOCC(=O)N1CCC[C@H](NCCNS(C)(=O)=O)C1 1207679617 BYDZVIWVCDGQLM-LBPRGKRZSA-N 319.427 -0.681 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 1208341257 XMYFBUZEHROWHA-AWEZNQCLSA-N 320.437 -0.199 30 20 DBED CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H](NCC#N)C1 1209421106 ZQCGDMKVOCOEIE-OCCSQVGLSA-N 318.381 -0.439 30 20 DBED C#CCCN[C@H]1CCCN(C(=O)[C@@H](CCC(N)=O)NC(C)=O)C1 1210154435 MFLWMPLQZPILFV-UONOGXRCSA-N 322.409 -0.640 30 20 DBED COCC#CCN1C[C@@H](NC(=O)COCCN(C)C)[C@H](C)C1 1210314636 BWCHEOCPLHZDSD-HUUCEWRRSA-N 311.426 -0.349 30 20 DBED C=CCCN1C[C@@H](NC(=O)CC[C@@H]2NC(=O)NC2=O)[C@H](C)C1 1210883065 LMRXNPFIFLIBCD-GRYCIOLGSA-N 308.382 -0.013 30 20 DBED COCC#CCN1C[C@@H](NC(=O)CN2CCCC2)[C@H](OC)C1 1213859760 JRVHOSRQBXFILO-HUUCEWRRSA-N 309.410 -0.453 30 20 DBED COCC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CCCO1 1217225824 LOOXEGFHRUAWNM-RRFJBIMHSA-N 308.378 -0.273 30 20 DBED C=CCN1CC[C@H](N2C[C@H](O)[C@H](NC(=O)CC(C)C)C2)C1=O 1219123062 OMSAHKNLWLIGJW-RDBSUJKOSA-N 309.410 -0.019 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CN(Cc2cc3n(n2)CCC3)C[C@@H]1O 1219593550 XGEFJXRSOSTFCG-CVEARBPZSA-N 314.389 -0.096 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2coc(C)n2)C[C@@H]1O 1219609216 HICCKPZKASKXRK-KGLIPLIRSA-N 307.350 -0.316 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@H](C)C2CCCC2)C1 1220728617 SMYKLUAQQBVGCA-YUELXQCFSA-N 321.421 -0.277 30 20 DBED C#CCOCCC(=O)N1C[C@H]2CCN([C@@H](CC)C(N)=O)C[C@H]21 1221542500 NWURSHKCAWGGRB-HZSPNIEDSA-N 307.394 -0.177 30 20 DBED C=C(C)CN1CCC(CNC(=O)CNC(=O)CNC(C)=O)CC1 1223638453 RETFTHFIMYMLBK-UHFFFAOYSA-N 324.425 -0.357 30 20 DBED C#CCCCC(=O)N(C)C[C@H]1CCN1[C@@H](C)C(=O)NC(N)=O 1233946632 BYLREGFPAKEGCM-NWDGAFQWSA-N 308.382 -0.094 30 20 DBED CN1CCN(C)[C@H](CNC(=O)C(=O)N2CCC(C#N)CC2)C1 1258382317 HBCWHINYDIRHAY-CYBMUJFWSA-N 307.398 -0.889 30 20 DBED C=CCN(C(=O)C(=O)NCC1CN(S(C)(=O)=O)C1)C1CC1 1261159153 VGLUKDJXOJGHBI-UHFFFAOYSA-N 315.395 -0.829 30 20 DBED CCN1CCCN(C(=O)C(=O)N2CC[C@@](F)(C#N)C2)CC1=O 1261345850 YQNSZKPVSNYDIH-CQSZACIVSA-N 310.329 -0.469 30 20 DBED CCN(C(=O)C(=O)NC1CCN(CC#N)CC1)[C@@H]1CCNC1 1262068262 WNQKLRVSEIGRLY-CYBMUJFWSA-N 307.398 -0.699 30 20 DBED C=CCC[C@H](O)CN1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 1319636057 RJOJETKRZNLHKC-IHRRRGAJSA-N 318.439 -0.911 30 20 DBED C=CC[C@@H](NC(=O)CCn1cc[nH]c(=O)c1=O)C(=O)OCC 1320124956 OCAPYROEJWQYTF-SNVBAGLBSA-N 309.322 -0.449 30 20 DBED C=CCN1CC[C@H](N2CCN(C(=O)N3CCOCC3)CC2)C1=O 1321164649 KMKWWTWEKPACEI-AWEZNQCLSA-N 322.409 -0.157 30 20 DBED COCC[C@H](NC(=O)C(=O)Nc1cc(C#N)ccc1C)C(N)=O 1321688111 NSXWHYDTEYRBJM-NSHDSACASA-N 318.333 -0.188 30 20 DBED CCN(CC)C(=O)CCCNC(=O)C(=O)N1CCO[C@@H](C#N)C1 1322977421 RQTKZFUPXPVTRN-LBPRGKRZSA-N 324.381 -0.498 30 20 DBED C=C(C)COCCNC(=O)C(=O)NC1CCN(CC#N)CC1 1323865386 HBSOUODXYASTJQ-UHFFFAOYSA-N 308.382 -0.201 30 20 DBED Cc1nc(NC(=O)C(=O)N(CCC#N)CCCN(C)C)nn1C 1326283844 QZFUEHVUHLBKDQ-UHFFFAOYSA-N 321.385 -0.244 30 20 DBED C=C(CNC(=O)Cc1ncc[nH]1)CNC(=O)Cc1ncc[nH]1 1328444172 KOBOPFMUMHIBPN-UHFFFAOYSA-N 302.338 -0.293 30 20 DBED CNC(=O)[C@@H](C)CN(C)C(=O)C(=O)Nc1cccc(C#N)n1 1329301393 YEHUAYVVSOFOHL-VIFPVBQESA-N 303.322 -0.268 30 20 DBED Cc1cc(NC(=O)C(=O)N[C@@H]2CCN(C)C2)nn1CCC#N 1338359883 JSOOUYHWMGPTIS-LLVKDONJSA-N 304.354 -0.136 30 20 DBED C#CCNCC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 1341593148 JUSZZTRJISUMTO-UHFFFAOYSA-N 306.410 -0.458 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CCC[C@@H](CNC(C)=O)C1 1343079206 GULRTOLGGUEGGD-QWHCGFSZSA-N 311.382 -0.322 30 20 DBED N#CCC1CCN(C(=O)C(=O)N2CC(N3CCCC3=O)C2)CC1 1356402277 AJHRTPQGDYEEMI-UHFFFAOYSA-N 318.377 -0.028 30 20 DBED C[C@@H]1[C@H](CO)CCCN1C(=O)CCn1cc(C#N)c(O)nc1=O 1362538687 RQIKBFUIHPHKEO-MNOVXSKESA-N 320.349 -0.170 30 20 DBED Cc1nc(C)n(C2CN(c3[nH]c(=O)n(C)c(=O)c3C#N)C2)n1 1364176012 XDVSRAHPVVWXHY-UHFFFAOYSA-N 301.310 -0.785 30 20 DBED C[C@H](CN(C)C(=O)Cn1cncn1)NC(=O)c1c[nH]c(C#N)c1 1370620144 YNYHGWMSLGICDJ-SNVBAGLBSA-N 315.337 -0.245 30 20 DBED CC(=O)NCC(=O)N1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)C[C@@H]1C 1370860295 RTFNRPKCMSVLQL-CABZTGNLSA-N 317.349 -0.258 30 20 DBED C[C@@H](C#N)C(=O)NC1CCC(NC(=O)Cn2cnnn2)CC1 1372734690 MRGGCZUZBNPGBK-WHXUTIOJSA-N 305.342 -0.624 30 20 DBED C[C@@H](CNC(=O)c1cnc(O)n1C)NC(=O)c1c[nH]c(C#N)c1 1373017470 NWPNOUPHKXYSNY-QMMMGPOBSA-N 316.321 -0.126 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CCCN1C(=O)c1ccc(=O)n(C)n1 1374049430 GAIXBNXFBAQOBX-GHMZBOCLSA-N 317.349 -0.339 30 20 DBED Cc1cnc2nc(C(=O)NC[C@@H](C)NC(=O)[C@H](C)C#N)nn2c1 1386334146 FIXVFWAEZAIHPC-NXEZZACHSA-N 315.337 -0.173 30 20 DBED Cc1nn(CC(=O)N(C)C[C@@H](C)NC(=O)[C@@H](C)C#N)c(=O)n1C 1395636916 IHFQZHHZNMALAA-VHSXEESVSA-N 322.369 -0.987 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C(=O)[C@H](NC(N)=O)C(C)(C)C)CC1 1396731222 ITTULAQIPCRAGK-QWRGUYRKSA-N 323.397 -0.100 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CC[C@H](NC(=O)[C@H]2CCC(=O)N2)CC1 1399229215 SUXYPDLOTOOHGY-DDHJBXDOSA-N 306.366 -0.032 30 20 DBED CNC(=O)NCC(=O)N[C@@H](CNC(=O)[C@H](C)C#N)C1CCCC1 1400833988 JJZCZMOFVPEFHZ-PWSUYJOCSA-N 323.397 -0.134 30 20 DBED CCO[C@@H]1COC[C@H]1NC(=O)CCn1cc(C#N)c(O)nc1=O 1412942276 WSVPMDQIDPYIMS-GHMZBOCLSA-N 322.321 -0.869 30 20 DBED CN(C[C@H]1COCCO1)C(=O)CCn1cc(C#N)c(O)nc1=O 1413243214 GYJBCZPZHOAOMG-NSHDSACASA-N 322.321 -0.916 30 20 DBED CC(=O)NCC(=O)NC1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](C)C#N 1414980926 VJRCQNMEQNDXHI-SMHCIBLRSA-N 306.366 -0.080 30 20 DBED CCNC(=O)NC(=O)CN(C)C1CCN(C(=O)[C@@H](C)C#N)CC1 1425424291 QDVXOCFVNLXDQX-NSHDSACASA-N 323.397 -0.085 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CN(C)C(=O)C1CC1 1432500543 PNUZJQHVFHPEQW-DRZSPHRISA-N 318.377 -0.174 30 20 DBED CC1(C)[C@H](O)C[C@H]1NC(=O)CCn1cc(C#N)c(O)nc1=O 1433917637 FQWLSDBICCDUOG-NXEZZACHSA-N 306.322 -0.514 30 20 DBED C=C(Cl)CNC[C@@H](O)CNC(=O)c1coc(C(N)=O)c1 1439024000 YXRYQBYREPTTQE-SECBINFHSA-N 301.730 -0.189 30 20 DBED C[C@H](CCN(C)C)NC(=O)CCn1cc(C#N)c(O)nc1=O 1443465124 RASKLJTUCQHFGI-SNVBAGLBSA-N 307.354 -0.333 30 20 DBED N#CCOc1cccc(CNCc2cn(CC(N)=O)nn2)c1 1461197821 PZSGMWPWIVWRHV-UHFFFAOYSA-N 300.322 -0.044 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNCC(=O)NCC1CCCCC1 1482716900 SZESWFDZLAYHSO-GXTWGEPZSA-N 324.425 -0.091 30 20 DBED C=C(Cl)CNC[C@@H]1CCCN1C(=O)Cn1ncn(C)c1=O 1483934096 FRPQVABMYXRKRI-NSHDSACASA-N 313.789 -0.085 30 20 DBED CO[C@@H](C)C(=O)N(CCO)C1CCN(C(=O)[C@@H](C)C#N)CC1 1490155792 MHBUYFPPHGSEIF-RYUDHWBXSA-N 311.382 -0.007 30 20 DBED C[C@@H]1CN(c2cnc(C#N)c(-c3nn[nH]n3)n2)CCN1CCO 1576364080 JVECCBAFLAZIDI-SECBINFHSA-N 315.341 -0.969 30 20 DBED O=C(N[C@@H]1CCCN(O)C1=O)c1cnnn1C1CCNCC1 1580607613 TVJVUBIUTKKVPG-SNVBAGLBSA-N 308.342 -0.687 30 20 DBED C#C[C@@H](CO)NS(=O)(=O)c1cccc(C)c1-c1nn[nH]n1 1588328043 XKAKYBXWMAIDPW-VIFPVBQESA-N 307.335 -0.552 30 20 DBED C=CCOC[C@@H](NC(=O)CSc1n[nH]c(O)n1)C(=O)O 1588856910 RXYYPODWMGFHOW-ZCFIWIBFSA-N 302.312 -0.626 30 20 DBED COc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H](O)CC(=O)O 1599476683 JLPMSNBQHBGESE-SECBINFHSA-N 321.289 -0.543 30 20 DBED N#Cc1ccnc(C(=O)N2CCC[C@@H]2C(=O)NCC(=O)O)c1 1601127427 KXVLKRULQWYPNG-LLVKDONJSA-N 302.290 -0.241 30 20 DBED C#CCC1(O)CCN(C(=O)[C@@H]2CCCN(CC(=O)O)C2=O)CC1 1602675469 WHORBOUARLYNLJ-LBPRGKRZSA-N 322.361 -0.314 30 20 DBED C[C@@H](O)C(=O)N1CCN(c2ccc(C(=O)O)nc2C#N)CC1 1604380355 ZRDGRDJCGOIUST-SECBINFHSA-N 304.306 -0.319 30 20 DBED CS(=O)(=O)CC(=O)OCc1cc(O)n2ncc(C#N)c2n1 1645731972 JUDCROLVPLVDIO-UHFFFAOYSA-N 310.291 -0.606 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@H](NC(=O)c2cccnc2C)C1 1752659616 AEYLIRKWLLBTHU-JOCQHMNTSA-N 300.362 -0.010 30 20 DBED CC(C)C#CC(=O)NCCN(C)CC(=O)NC[C@H]1CCOC1 1753048639 ZRKVZPRVCVDAFZ-CQSZACIVSA-N 309.410 -0.154 30 20 DBED C#CCN1CCC(C(=O)NCCN(C)CC(=O)NCCC)CC1 1753074156 BCXRDUCGYCTFLN-UHFFFAOYSA-N 322.453 -0.094 30 20 DBED C#CCNC(=O)CN1CC[C@@H](CNC(=O)Cc2cnn(C)c2)C1 1753123917 REZPQCSNLGYBGC-ZDUSSCGKSA-N 317.393 -0.850 30 20 DBED C=CCNC(=O)CN1CC[C@@H](CNC(=O)c2n[nH]cc2F)C1 1753135982 QWXJEBCJDLUQPX-JTQLQIEISA-N 309.345 -0.097 30 20 DBED COCC#CCN(C)C[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)NC2)C1 1753350622 NCRRYQVSKIANOF-LSDHHAIUSA-N 321.421 -0.057 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H](CNC(=O)c1cnn(C)n1)C(C)C 1753838601 DBNKZUFDEMYTPF-RYUDHWBXSA-N 320.397 -0.703 30 20 DBED COCC#CCNC[C@H](O)CNC(=O)c1nnn(C(C)C)c1C 1753932776 WBDZPIRNQOZKNL-ZDUSSCGKSA-N 323.397 -0.502 30 20 DBED C=CCCC(=O)N[C@@H](CNCC(=O)N1CCNC(=O)C1)C1CC1 1754435998 PMONVQNFXPBDSE-ZDUSSCGKSA-N 322.409 -0.605 30 20 DBED C=CCNC(=O)CNC[C@@H](NC(=O)c1cnnc(O)c1)C1CC1 1754443813 FKCUOAHHFYXWBM-GFCCVEGCSA-N 319.365 -0.418 30 20 DBED C=CCNC(=O)CN1CC(N(C)C(=O)C2(CN(C)C)CC2)C1 1754581907 LACYQPDMUBHNOW-UHFFFAOYSA-N 308.426 -0.227 30 20 DBED CC#CCN1CCC(C)(NC(=O)Cn2ccc(O)nc2=O)CC1 1754627462 MPXPQIQHXGOVRT-UHFFFAOYSA-N 318.377 -0.057 30 20 DBED N#CCNC[C@@H](NC(=O)C[C@@H]1CC(=O)NC1=O)C1CCCC1 1754656713 UUUMQXSKDAVMJK-VXGBXAGGSA-N 306.366 -0.173 30 20 DBED CC#CCN1CC(O)(CNC(=O)C[C@@H]2CCCS2(=O)=O)C1 1754771344 VHGLYHHGZKTTOA-LBPRGKRZSA-N 314.407 -0.860 30 20 DBED C[C@@]1(CCC(=O)N[C@@]2(CO)CCCN(CC#N)C2)CCC(=O)N1 1754863485 WMZKGMJWRJGQHS-HOTGVXAUSA-N 322.409 -0.098 30 20 DBED C#CCN[C@@H](C)[C@@H]1CN(C(=O)c2cncc(OC)n2)CCO1 1755458184 CCBXWAYAETXBQA-AAEUAGOBSA-N 304.350 -0.063 30 20 DBED C=CC(C)(C)C(=O)NC[C@@H](CO)NC(=O)CCc1cnn(C)n1 1756540255 LASOZYVKRNPRSN-LBPRGKRZSA-N 323.397 -0.447 30 20 DBED C=C(C)CCC(=O)N(C)C[C@@H](O)CNC(=O)CNC(=O)OC 1756666337 XCEJNXBVRYQCDF-NSHDSACASA-N 315.370 -0.366 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)C[C@H](C)OC)C[C@H]1O 1756985354 AHKGUVZSTLUUSA-QJPTWQEYSA-N 300.355 -0.698 30 20 DBED N#C[C@@H]1CNC[C@@H]1NC(=O)CNS(=O)(=O)c1ccccc1 1771755093 UMVXCQXIVNBEDT-PWSUYJOCSA-N 308.363 -0.807 30 20 DBED C=CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(O)O)C2 1782195868 NNQMGKRSLQXQJG-IAQYHMDHSA-N 312.366 -0.613 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)CNC(C)(C)C)CCO2 1783049853 WXJWSKKZEAWRHX-MRXNPFEDSA-N 307.394 -0.162 30 20 DBED C[C@H](S)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)CN)CCO2 1783890823 WFBVCGHSTYDUDF-SUNKGSAMSA-N 315.439 -0.271 30 20 DBED C=C1CC(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN)[C@H]3C2)C1 1786793628 WJPWYPJEVDJEJB-UBHSHLNASA-N 307.394 -0.109 30 20 DBED C[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1CC1)C2 1800747233 RXCFYSFJFTUBOK-DNVSUFBTSA-N 306.362 -0.630 30 20 DBED Cn1nccc1C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1842465233 LJMRYTNMJIMIAV-UHFFFAOYSA-N 316.317 -0.675 30 20 DBED CS(=O)(=O)N1CCN(CC(=O)NC2(C#N)CCCC2)CC1 24508551 IEKJMWWSEGDKEW-UHFFFAOYSA-N 314.411 -0.484 30 20 DBED CC[C@@](C)(NCC(=O)N1CCN([C@H](C#N)C(C)C)CC1)C(N)=O 91624000 SMBPUAHVLZXCBF-CZUORRHYSA-N 323.441 -0.078 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@@](C)(O)CCC)CC1 125287287 KQDUSBVNHHRTSH-INIZCTEOSA-N 309.410 -0.179 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)CCN(C)C(=O)[C@@H](C)OCC#C 294817049 KCJRIFJIYSOOAK-OKILXGFUSA-N 308.378 -0.020 30 20 DBED COC(=O)[C@H]1C[C@@H](O)CN1S(=O)(=O)Cc1ccc(C#N)cc1 317568459 VZIGSTLATPGGTO-CHWSQXEVSA-N 324.358 -0.004 30 20 DBED Cn1ccnc1[C@@H]1CCN(/C(O)=N/CC(=O)N2CCOCC2)C1 329236220 OCWJCZVMGOZJOA-GFCCVEGCSA-N 321.381 -0.018 30 20 DBED C[C@@H]1C[C@@H]1N1C[C@H](/N=C(/O)N2CCN3CCOC[C@H]3C2)CC1=O 329855256 TYBALJCKRGFAEN-SYQHCUMBSA-N 322.409 -0.074 30 20 DBED O=C1CCCN1[C@H]1CCN(/C(O)=N/CCN2CCN=C(O)C2)C1 330034591 BDJWKLXJGQZDQR-LBPRGKRZSA-N 323.397 -0.131 30 20 DBED CN(CC(=O)N1CCOC[C@H]1C#N)S(=O)(=O)c1cccnc1 330901490 PEPHPYRKDLSDEB-LLVKDONJSA-N 324.362 -0.547 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N1CCS(=O)(=O)C[C@@H]1C 337745677 CQMNJVAXMVWVQD-UWVGGRQHSA-N 309.413 -0.416 30 20 DBED C[C@@H](C#N)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 340449905 SVLIYYWIHGCIRG-DTWKUNHWSA-N 324.362 -0.519 30 20 DBED Cn1cc(C#N)c(=O)n(Cc2nc3ccccc3n(C)c2=O)c1=O 342711124 VJQOIDMOUOYCTF-UHFFFAOYSA-N 323.312 -0.286 30 20 DBED C=CCOC[C@H]1NC(=O)N(CCCN2C(=O)CCC2=O)C1=O 348558668 WOLUPFLHLLSRDQ-SNVBAGLBSA-N 309.322 -0.352 30 20 DBED N#C[C@@H]1COCCN1CC(=O)Nc1cccc(S(N)(=O)=O)c1 348700218 OLUPMJYZUCYXGV-LLVKDONJSA-N 324.362 -0.503 30 20 DBED C=C[C@@H](CO)NC(=O)[C@@H](CCSC)NS(=O)(=O)CC 426849976 WWBYTQQPOSNUKG-VHSXEESVSA-N 310.441 -0.290 30 20 DBED CC(C)NS(=O)(=O)NCCNC(=O)N1CCC(C#N)CC1 429152731 BMUXJVLDOXQGPI-UHFFFAOYSA-N 317.415 -0.236 30 20 DBED CN(C)S(=O)(=O)CCCS(=O)(=O)NCC1(CC#N)CC1 429925559 ONNKOLAQBJVXPO-UHFFFAOYSA-N 323.440 -0.119 30 20 DBED CC#CCNC(=O)C(=O)Nc1ccc(OC)c(-n2cnnn2)c1 440609716 FOPOLNIFLSZIHO-UHFFFAOYSA-N 314.305 -0.251 30 20 DBED N#CCCCOc1cccc(NC(=O)C(=O)NC(CO)CO)c1 490086383 IFYMYAMKXXBSNL-UHFFFAOYSA-N 321.333 -0.223 30 20 DBED C#CCN1CCN(C(=O)CN2CCC[C@@H](OCCO)C2)CC1 491037243 CJQNKNJSHHQNNQ-OAHLLOKOSA-N 309.410 -0.763 30 20 DBED C#CCNC(=O)CN1CCN(C[C@@H]2CC3(CCC3)C(=O)O2)CC1 491813457 ATDLCRGXGVYOBA-AWEZNQCLSA-N 319.405 -0.161 30 20 DBED COC(=O)CC[C@H](NS(=O)(=O)N(C)C[C@@H](C)C#N)C(=O)O 569224492 AMNNVPIQZXJGLO-IUCAKERBSA-N 321.355 -0.681 30 20 DBED C[C@@H](O)CN(C)C(=O)CNS(=O)(=O)c1cccc(C#N)c1 589477802 MKNLUQQMAQHUQN-SNVBAGLBSA-N 311.363 -0.324 30 20 DBED CN1CCN(S(=O)(=O)Cc2ccc(C#N)cc2)[C@@H](CO)C1 601468641 FDURUSSTHSYGQH-CQSZACIVSA-N 309.391 -0.004 30 20 DBED C[C@@H]1CC[C@H](CNC(=O)C(=O)N2CCN(CCC#N)CC2)O1 602277919 HUXNMVFYYWXBSI-CHWSQXEVSA-N 308.382 -0.272 30 20 DBED N#CCC1(CN[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)CC1 602790452 JLYOPKSGHIPYRF-OLZOCXBDSA-N 313.423 -0.232 30 20 DBED Cc1cnn(C[C@@H]2CN(C(=O)Cn3cnc(C#N)n3)CCO2)c1 610884226 UIFZFVCNRDQISE-LBPRGKRZSA-N 315.337 -0.418 30 20 DBED C=C[C@](C)(O)C(=O)NCC(CNC(=O)[C@@](C)(O)C=C)OCC 613394724 HXRMQXANEFEBLW-GJZGRUSLSA-N 314.382 -0.502 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(C)Cc2cnc[nH]2)C1=O 616924637 QQNPIAKCOVHPDG-UHFFFAOYSA-N 305.294 -0.655 30 20 DBED N#CCCNC(=O)COC(=O)c1ccc2c(c1)C(=O)NC2=O 732341206 SMJGCHHXPFPZQS-UHFFFAOYSA-N 301.258 -0.243 30 20 DBED C#C[C@@H](NC(=O)CNS(=O)(=O)CCOCC)[C@@H]1CCCO1 775346088 BIUYEUUWNPDNIH-NEPJUHHUSA-N 318.395 -0.761 30 20 DBED Cn1cnn(CC(=O)OCC(=O)NC2(C#N)CCCCC2)c1=O 779126168 BOEDSWROGCAZTC-UHFFFAOYSA-N 321.337 -0.532 30 20 DBED C#CCOCCNC(=O)[C@H](C)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 784594830 IZEDKZAIKGEWAS-QWQWKMKNSA-N 320.345 -0.697 30 20 DBED C#C[C@@H](NC(=O)C(=O)NCCNC(=O)C(C)(C)C)[C@@H]1CCCO1 804097912 LABMPPXYWVJXFY-NEPJUHHUSA-N 323.393 -0.438 30 20 DBED C#CCCCNC(=O)C(=O)N1CCN(c2ncccn2)CC1 806910928 RWKKAAUZVNQMPP-UHFFFAOYSA-N 301.350 -0.345 30 20 DBED C#CCN(C)CCCNC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 820688675 YLPQKCYCLXDSQD-CVEARBPZSA-N 323.437 -0.063 30 20 DBED CC#CCNC(=O)NCCNc1ccc(-c2nn[nH]n2)cn1 823937074 HCHZNFUKCCTVGR-UHFFFAOYSA-N 300.326 -0.004 30 20 DBED CCOC(=O)N1CCN(C(=O)CN2CC[C@](O)(CC#N)C2)CC1 829970052 SEXZPHVBWRWEBJ-OAHLLOKOSA-N 324.381 -0.362 30 20 DBED C#CC[C@@H](NS(=O)(=O)N(CC)C[C@@H](C)C#N)C(=O)OC 841540767 QRNDBSWNNWUHEQ-WDEREUQCSA-N 301.368 -0.133 30 20 DBED N#CCN1CCN(C(=O)CCN2C(=O)CCNC2=S)CC1 847512100 RGOGEVRDOBUGJF-UHFFFAOYSA-N 309.395 -0.849 30 20 DBED C=C[C@H](CO)NC(=O)C(=NOCC(=O)OCC)c1cc[nH]n1 856276211 WUFXBPJZIXLJMU-SECBINFHSA-N 310.310 -0.643 30 20 DBED COCCOCCOCCN(CC#N)S(=O)(=O)N(C)C 877883613 JCSVFJORXWBUPF-UHFFFAOYSA-N 309.388 -0.702 30 20 DBED C#CC[C@H](CO)NS(=O)(=O)c1cc(C(=O)OCC)n(C)c1 882342127 XTCJADUEAMWADR-SNVBAGLBSA-N 314.363 -0.136 30 20 DBED C#CCOc1ccccc1CNC(=O)CN1CCNC(=O)C1 900721846 OXAPRPWMXIESPX-UHFFFAOYSA-N 301.346 -0.253 30 20 DBED NC(=O)[C@]1(c2ccccc2)CCN(C(=O)NCC#CCO)C1 923764664 YRYBVAPCQZZYHK-MRXNPFEDSA-N 301.346 -0.179 30 20 DBED C[C@H](C#N)C(=O)N1CCCN(C(=O)[C@@H]2CN(C)CCO2)CC1 940593380 BCMGYSABKSTRND-OLZOCXBDSA-N 308.382 -0.462 30 20 DBED C[C@H](C#N)C(=O)N1CCCN(C(=O)c2cc(=O)n(C)o2)CC1 940868386 KJQLXNYVVOSNKL-SNVBAGLBSA-N 306.322 -0.188 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](NC(=O)C(C)(C)N2CCOCC2)C1 941571073 QUUIKOQNQQFSJZ-CHWSQXEVSA-N 322.409 -0.026 30 20 DBED COc1cnc(C(=O)N[C@@H]2CCN(C(=O)[C@H](C)C#N)C2)nc1 941811866 MXGJGLBGMFAUPV-NXEZZACHSA-N 303.322 -0.024 30 20 DBED N#Cc1ccc(C(=O)N2CCC3(CC2)CN(C(=O)C(N)=O)C3)[nH]1 944915316 QLGGSYPWBUEBLW-UHFFFAOYSA-N 315.333 -0.564 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(CC1)CN(C(=O)Cn1cncn1)C2 945035068 IJOMPGJRPWDLIT-LBPRGKRZSA-N 316.365 -0.111 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2[C@H]3C[C@H]2N(C(=O)c2nc[nH]n2)C3)nc1 947673512 RLJWDLQROZOPLK-CYZMBNFOSA-N 322.328 -0.176 30 20 DBED C[C@H](C#N)C(=O)N1CCC(NC(=O)[C@H]2CCN(C)C2=O)CC1 948109357 DNOWSQZNHLEALV-ZYHUDNBSSA-N 306.366 -0.268 30 20 DBED CC[C@@H]1CN(C(=O)C(N)=O)CC[C@@H]1NC(=O)c1ccc(C#N)[nH]1 948524531 HNCOZXWCBKOVGQ-KOLCDFICSA-N 317.349 -0.271 30 20 DBED C[C@H](C#N)C(=O)N1CC(N(C)C(=O)c2ccc(C(N)=O)o2)C1 954884564 WEDZPDLMHROPJF-MRVPVSSYSA-N 304.306 -0.179 30 20 DBED C[C@H]1C[C@@H](NC(=O)C(N)=O)CCN1C(=O)c1ccc(C#N)[nH]1 955632335 YZEAEDPYGVRERJ-IUCAKERBSA-N 303.322 -0.519 30 20 DBED CC#CCN1C[C@H](O)[C@H](CNC(=O)c2cnc(O)cc2OC)C1 958412494 FBDYYWLWRCXIEV-YPMHNXCESA-N 319.361 -0.158 30 20 DBED C=C(C)C(C)(C)C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)CC(N)=O 960157506 JQKSREDGFZDFBI-NWDGAFQWSA-N 323.393 -0.098 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1[C@@H]2CN(CC(=O)NC)C[C@@H]21 962019316 UIUPKEXFSCVBMO-OBORUHMCSA-N 307.394 -0.240 30 20 DBED C#Cc1ccc(C(=O)NC2[C@@H]3CN([C@H](CC)C(N)=O)C[C@@H]23)nc1 962337970 BAMARIVSMRUBTN-YRGRVCCFSA-N 312.373 -0.013 30 20 DBED Cn1nccc1CC(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 962540202 YYPFGWVKAOZTGB-KGLIPLIRSA-N 316.361 -0.936 30 20 DBED Cn1cc(C(=O)NC[C@H]2COCCN2C(=O)C#CC2CC2)nn1 964192650 WWJBNVFBXHKLDO-LBPRGKRZSA-N 317.349 -0.814 30 20 DBED COc1nc(C(=O)NC[C@@H]2COCCN2C(=O)[C@H](C)C#N)co1 964265229 DTXQLDBXGYVHDY-NXEZZACHSA-N 322.321 -0.200 30 20 DBED C#CCN1CC[C@@H](C)[C@H](NC(=O)c2nccnc2C(N)=O)C1 968628484 ZEOPOXKSTCVIHB-GHMZBOCLSA-N 301.350 -0.351 30 20 DBED C=C(C)C(C)(C)C(=O)N1C[C@H](O)[C@H](NC(=O)[C@H]2CCNC2=O)C1 969527214 VCNLNOHXAIJYCJ-TUAOUCFPSA-N 323.393 -0.587 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCC(=O)N1C 969636156 NYIGYTGFLNSDIO-NDBYEHHHSA-N 318.377 -0.031 30 20 DBED CC#CCN1CCO[C@@]2(CCN(C(=O)CCn3cncn3)C2)C1 972262833 ZPLZENOKJROPHQ-INIZCTEOSA-N 317.393 -0.005 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)CN3CCOCC3)C2)C1 972341457 DTBZPHPNAKMROC-INIZCTEOSA-N 307.394 -0.745 30 20 DBED C#CCN(C)[C@@H]1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)C1 972555539 PLDLPBBRKGSZLI-GFCCVEGCSA-N 304.350 -0.907 30 20 DBED C#CCCN1CCCN(C(=O)CN2CCCS2(=O)=O)CC1 981283563 XQOCTYUEGAVLPH-UHFFFAOYSA-N 313.423 -0.421 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](CNC(=O)c2cn(C)c(O)n2)C1 983213534 YPHLSFSDJNOMSA-ZJUUUORDSA-N 305.338 -0.136 30 20 DBED C#CCN1CCC(C(=O)N2C[C@@H](NCC(N)=O)C[C@@H]2C)CC1 989828452 DCLHQPLMQLKDSR-JSGCOSHPSA-N 306.410 -0.604 30 20 DBED C#Cc1cncc(C(=O)N2CC(NC(=O)Cc3cc[nH]n3)C2)c1 990594048 MDQYPXUFWCNZLC-UHFFFAOYSA-N 309.329 -0.031 30 20 DBED C#CCN1CC[C@]2(NC(=O)CN3C(=O)CNC3=O)CCC[C@@H]12 992471329 GXZYZKDNFIGEIC-IAQYHMDHSA-N 304.350 -0.715 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2CCNC2=O)C1 997430586 KFJZGMMUZRUIBW-AGIUHOORSA-N 321.377 -0.569 30 20 DBED C=CCn1cc(C(=O)N2CC(NC(=O)[C@H]3CC[C@@H](C)O3)C2)nn1 1000320838 OYNKIQBNABTODA-ZWNOBZJWSA-N 319.365 -0.028 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCC1CN(C(=O)c2cocn2)C1 1002830513 VEIOCJNTJIFGLL-AWEZNQCLSA-N 316.361 -0.040 30 20 DBED CN(C(=O)[C@@H]1CCS(=O)(=O)N1)C1CCN(CC#N)CC1 1006425032 GYMRAEKDMIYHNM-NSHDSACASA-N 300.384 -0.876 30 20 DBED O=C1N[C@H](C(=O)N2C[C@H]3CC[C@H]2CN3C(=O)C#CC2CC2)CO1 1007294982 URIRGXVGVYJGJK-AGIUHOORSA-N 317.345 -0.290 30 20 DBED C=CCN1CC[C@H](N2CC[C@@H](NC(=O)c3ncn(C)n3)C2)C1=O 1010880610 NRJVJFOFDBYBPM-NEPJUHHUSA-N 318.381 -0.594 30 20 DBED CC#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CC[C@@H](C(N)=O)O1 1017939467 OQBPAJRVSUFEEQ-RFQIPJPRSA-N 305.378 -0.282 30 20 DBED C[C@H]1CC[C@@H](NC(=O)c2nnn(C)n2)CN1C(=O)C#CC1CC1 1018336839 ZATGNXLZWXFINK-CMPLNLGQSA-N 316.365 -0.267 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]2CN(C(=O)C3(C(N)=O)CC3)C[C@H]21 1022567137 RSKGZQLPGVPMAK-OUAUKWLOSA-N 304.350 -0.529 30 20 DBED Cc1[nH]nc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2O)c1C 1023233367 VUWBKPCPILXCPO-WHGOUJPWSA-N 305.338 -0.512 30 20 DBED Cc1cn(C)nc1C(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1023646182 IWZFDRKEOLDRDB-CHWSQXEVSA-N 316.361 -0.557 30 20 DBED C#CCN[C@@H]1CC[C@@H]2CN(C(=O)CN3C(=O)CCC3=O)C[C@@H]21 1026416706 XZIHEKGEZJFMAT-FRRDWIJNSA-N 303.362 -0.405 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2CCN(CC(=O)NC)C2)cn1 1028936474 YFPCMUGXVYTEML-GFCCVEGCSA-N 300.362 -0.139 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN(Cc2cnnn2CC)C1 1030462043 IXWMAOVXMBAZNK-HNNXBMFYSA-N 316.409 -0.304 30 20 DBED CO[C@H]1C[C@H](C(=O)N(C)[C@H]2CCN(CC#N)C2)N(C(C)=O)C1 1033291806 AIHWVNUNPLIFOQ-MELADBBJSA-N 308.382 -0.322 30 20 DBED CC#CCN1CC[C@@H](N(C)C(=O)Cn2nc(C)n(C)c2=O)C1 1033626304 PMDINOSELTVEHA-CYBMUJFWSA-N 305.382 -0.554 30 20 DBED C=C(C)CCN1CCO[C@H](CNC(=O)C2CS(=O)(=O)C2)C1 1035387358 MQSSYRJUFLIJAD-CYBMUJFWSA-N 316.423 -0.186 30 20 DBED N#CCN1CCO[C@H](CNC(=O)c2ccnc3[nH]nnc23)C1 1035439544 GCKIJKWILRYFAT-SECBINFHSA-N 301.310 -0.693 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2CN(CC(N)=O)CCO2)cc1 1035471715 SPMXPGRDQUAKIL-CQSZACIVSA-N 301.346 -0.416 30 20 DBED CC#CCN1CCO[C@H](CNC(=O)[C@@H]2CCCC(=O)N2C)C1 1035594877 AHWOVDPKAVLDSW-KGLIPLIRSA-N 307.394 -0.162 30 20 DBED C#CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)Cn1nnc(-c2ccco2)n1 1037473527 QKVYOUFZEQTBBZ-SUNKGSAMSA-N 312.333 -0.245 30 20 DBED C#CCN[C@H]1CCN(C(=O)Cn2ncn(C)c2=O)C[C@@H]1CC 1037867182 AAYOKDDUIVZOLX-STQMWFEESA-N 305.382 -0.568 30 20 DBED N#Cc1ccc(C(=O)NC[C@@H]2CCN2CC(=O)N2CCC2)[nH]1 1038170639 UJUXYWYBCQAQFV-LBPRGKRZSA-N 301.350 -0.077 30 20 DBED CC#CCN1CC[C@H]1CNC(=O)[C@H]1C[C@H](OC)CN1C(C)=O 1038553754 AIFJAMORQWZHQT-SOUVJXGZSA-N 307.394 -0.164 30 20 DBED C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC(=O)NC(=O)N1 1039444534 JHMYSEISILGATP-WOPDTQHZSA-N 306.366 -0.164 30 20 DBED N#Cc1nccnc1N1C[C@@H](O)[C@H](NC(=O)c2ccncc2)C1 1040909685 MVGNXXDAUHGHRV-CHWSQXEVSA-N 310.317 -0.277 30 20 DBED CSCCC(=O)N1CC(O)(CNC(=O)c2cc(C#N)c[nH]2)C1 1042402371 YXUDCXSVTWXFPT-UHFFFAOYSA-N 322.390 -0.057 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)c2cnc(C)[nH]2)C1 1042803116 SARIMMRCVNFFKE-UHFFFAOYSA-N 304.350 -0.175 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)CCC(F)F)C1 1043039257 AVXOLRMKQLABRO-SNVBAGLBSA-N 318.320 -0.241 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)CCCn2cccn2)C1 1043159653 GLZKIKAUGLVUQL-LBPRGKRZSA-N 319.365 -0.488 30 20 DBED C=C(C)CCC(=O)N1CC(O)(CNC(=O)C2(C(=O)NC)CC2)C1 1043846988 XVYORWJWBODKBY-UHFFFAOYSA-N 323.393 -0.442 30 20 DBED Cc1cc(C#N)nc(N2C[C@H](O)[C@H](NC(=O)[C@H]3CC3(F)F)C2)n1 1043926205 CBTPFCBAKGOOGT-MXWKQRLJSA-N 323.303 -0.022 30 20 DBED N#Cc1nccc(N2C[C@H](O)[C@H](NC(=O)c3ccncn3)C2)n1 1044117486 IRABDOUXANLIKU-MNOVXSKESA-N 311.305 -0.882 30 20 DBED C#CCOc1ncccc1C(=O)N(C)C1CN(CC(N)=O)C1 1044202499 VUDYDYLSOHIQHM-UHFFFAOYSA-N 302.334 -0.665 30 20 DBED C#CCN[C@@H]1CCN(C(=O)Cn2ccc(O)nc2=O)[C@H](C)C1 1044668138 TUJCKPIOTROWLN-VXGBXAGGSA-N 304.350 -0.449 30 20 DBED C[C@H]1C[C@H](NCC#N)CCN1C(=O)c1cc(=O)n2[nH]cnc2n1 1044821234 UWEMUKRVCFEYEO-VHSXEESVSA-N 315.337 -0.476 30 20 DBED CCc1cc(C(=O)N2CC(O)(CNC(=O)[C@H](C)C#N)C2)no1 1045546438 MCFXPRSPLDPHBM-SECBINFHSA-N 306.322 -0.300 30 20 DBED N#CCN1CC[C@H](N2CCN(C(=O)[C@H]3CCCC(=O)N3)CC2)C1 1046037522 RLXOYZVHCDQILX-UONOGXRCSA-N 319.409 -0.603 30 20 DBED N#CCN1CC[C@H](N2CCN(C(=O)Cc3cnc[nH]3)CC2)C1 1046065726 CTGDWOIMAVAMPJ-AWEZNQCLSA-N 302.382 -0.306 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCCN2C(N)=O)C1 1047592470 QZRQBNZPICXUTD-AGIUHOORSA-N 310.398 -0.391 30 20 DBED COCCCC(=O)N(C)[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 1048371010 AKBNZDUVOMZCOL-KBPBESRZSA-N 308.378 -0.144 30 20 DBED C=CCCC(=O)N(C)[C@H]1CN(C(=O)Cc2cc[nH]n2)C[C@@H]1O 1048510483 PAQLACKEPBZTTE-STQMWFEESA-N 306.366 -0.052 30 20 DBED CC#CCCCC(=O)N(C)[C@H]1CN(C(=O)CC(=O)NC)C[C@@H]1O 1049246047 JHRAQAOWRVHXMV-STQMWFEESA-N 323.393 -0.654 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2COCCN2CC(=O)NC)cc1 1051057883 NDYMODLJXHQKEF-HNNXBMFYSA-N 315.373 -0.156 30 20 DBED C=CCN1CCOC[C@@H]1CNC(=O)[C@@H]1COCCN1C(C)=O 1051251095 MOYBJWGIXSRORA-KBPBESRZSA-N 311.382 -0.763 30 20 DBED C#CCN1CCN([C@@H]2CCN(C(=O)c3cn(C)c(O)n3)C2)CC1 1052077931 YDLSKGPVQWPCSI-CYBMUJFWSA-N 317.393 -0.409 30 20 DBED C=CCN1CC2(C1)CN(C(=O)c1cncc(C(N)=O)c1)CCO2 1053535489 QBYGFOCWZYZNBX-UHFFFAOYSA-N 316.361 -0.107 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)[C@H]3OCCO[C@H]3C)CO2)C1 1053836934 VFKAMRSLDWPRIJ-MJBXVCDLSA-N 308.378 -0.227 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)c3cnc4nccn4c3)CO2)C1 1053870177 DUJXRYYDAJSVNH-CYBMUJFWSA-N 311.345 -0.064 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)c3coc(C(N)=O)c3)CO2)C1 1053880355 NTZABQYOIOAQAO-LLVKDONJSA-N 303.318 -0.415 30 20 DBED CN1CC[C@H](C(=O)NC2[C@H]3CN(c4cnc(C#N)cn4)C[C@H]23)C1 1056229265 XAEYIKCZCJVSJX-DRZSPHRISA-N 312.377 -0.149 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)[C@@H]1COCCO1 1057041066 BJSOGDGUBJGUQP-LBPRGKRZSA-N 300.355 -0.695 30 20 DBED CC[C@@H](OC)C(=O)N(CCO)CCNC(=O)c1ccc(C#N)[nH]1 1057154110 QEVSOHCERVJASO-CYBMUJFWSA-N 322.365 -0.138 30 20 DBED C=C[C@@](C)(O)CC(=O)N(CCO)CCNC(=O)Cc1cc[nH]n1 1057450751 YHRYYBZGCJIJGQ-OAHLLOKOSA-N 324.381 -0.784 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)CCc1cncn1C 1058365440 UZTCFURNUZVCQX-GFCCVEGCSA-N 321.381 -0.551 30 20 DBED C=C[C@H](CC)CC(=O)N(CCO)CCNC(=O)c1cnn(C)n1 1058468096 ADVMCYYDOSXCIP-GFCCVEGCSA-N 323.397 -0.032 30 20 DBED CC(C)(C(N)=O)C(=O)N1CC[C@H](Nc2cnc(C#N)cn2)C1 1058988503 MNNQNCVQCBVOEE-VIFPVBQESA-N 302.338 -0.127 30 20 DBED CN1CCOC[C@H]1C(=O)N[C@H]1C[C@H](Nc2cncc(C#N)n2)C1 1059187159 YRQRZBBVCJMXLF-GVXVVHGQSA-N 316.365 -0.262 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CC[C@H](NC(=O)Cn2cnnn2)CC1 1060659763 NVAWBAKAHHOLDK-IJLUTSLNSA-N 319.369 -0.376 30 20 DBED C=CCOCC(=O)N1CCOC[C@H]1CNC(=O)CCCOC 1061352522 YNLSPUWKFZKRLU-CYBMUJFWSA-N 314.382 -0.041 30 20 DBED CC(C)C#CC(=O)N1CCOC[C@@H]1CNC(=O)CCNC(N)=O 1061579368 YGADGYHNUAAEEZ-LBPRGKRZSA-N 324.381 -0.952 30 20 DBED Cn1cc(C(=O)NC[C@@H]2CCN(c3cncc(C#N)n3)C2)nn1 1061583703 ZHGNHYPTTAMULD-JTQLQIEISA-N 312.337 -0.267 30 20 DBED C=CCO[C@@H](C)C(=O)NC[C@@H]1COCCN1C(=O)c1ncc[nH]1 1061668877 WORILBODLPHRSR-NWDGAFQWSA-N 322.365 -0.042 30 20 DBED Cc1nc(O)[nH]c1C(=O)N1CCOC[C@H]1CNC(=O)[C@H](C)C#N 1061853633 TWPBRTRABJDZQF-PSASIEDQSA-N 321.337 -0.459 30 20 DBED C=CCOCC(=O)NCC1(NC(=O)CC(=O)NCC)CCC1 1062702634 YBCYOQJDQRATMN-UHFFFAOYSA-N 311.382 -0.130 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(NC(=O)[C@H](C)NC(C)=O)CCC1 1063041663 BDHBRBOZMWGJJA-NWDGAFQWSA-N 323.393 -0.296 30 20 DBED COCC(=O)NCCC(=O)NCC1(NC(=O)[C@@H](C)C#N)CCC1 1063329424 VGUHQRNJILNADM-NSHDSACASA-N 324.381 -0.546 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)[C@@]2(C)CNC(=O)C2)CCC1 1063679939 YYULFLOVGQDLLE-QMTHXVAHSA-N 306.366 -0.173 30 20 DBED N#Cc1cncc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)c2cc[n+]([O-])cc2)n1 1064216352 MMAPEPKMIJEWPX-OSAQELSMSA-N 322.328 -0.011 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(C(=O)COCC=C)CCO1 1064972418 WWAPYQHKUKVEJT-CQSZACIVSA-N 324.377 -0.428 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)[C@H]2CCCNC2=O)CCO1 1065263096 RPGNDGGNKXGVQO-OLZOCXBDSA-N 323.393 -0.178 30 20 DBED CN(C(=O)[C@H]1CCOC1)[C@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1065573438 WMXLQWLAILAEGI-DRZSPHRISA-N 317.349 -0.607 30 20 DBED N#Cc1cnc(N2C[C@H]3CN(C(=O)CC(N)=O)C[C@H]3C2)cn1 1065979371 IJFALRRCKNMASS-AOOOYVTPSA-N 300.322 -0.882 30 20 DBED C[C@H]1CN(C(=O)Cn2cncn2)C[C@@H]1N=c1cc[nH]c(C#N)n1 1067098853 QSADQUJEFDZSIM-QWRGUYRKSA-N 312.337 -0.679 30 20 DBED C=CCOCC(=O)N1CC2(C1)CN(C(=O)c1ccon1)CCO2 1068325386 LKTQJWAXFSVJDF-UHFFFAOYSA-N 321.333 -0.069 30 20 DBED C=CCCC(=O)N[C@H]1COC2(C1)CN(C(=O)[C@H](C)NC(N)=O)C2 1068752941 JYVBMSFAMZXUFL-WDEREUQCSA-N 324.381 -0.505 30 20 DBED N#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)Cc2ccon2)C1 1069904238 OMYSAEXPAHYPRL-NEPJUHHUSA-N 301.310 -0.626 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)[C@@H]2[C@H]3COC[C@H]32)CCOCC1 1070207313 RERCKHBIUCJSKB-NDBYEHHHSA-N 321.377 -0.180 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)[C@@H]2CCN(C)C2)CCOCC1 1070232419 JHDFPODETHEODU-CHWSQXEVSA-N 322.409 -0.121 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCCN(C(=O)c2cnn(C)n2)C1 1070985351 KHJBNCKZIXAYJK-GFCCVEGCSA-N 319.365 -0.424 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCCN(C(=O)[C@@H](C)CC(N)=O)C1 1071071103 AYCMAJCUVJSKCY-QWHCGFSZSA-N 323.393 -0.355 30 20 DBED C=C1CC(C)(C(=O)N[C@H]2CN(C(=O)CNC(N)=O)C[C@H]2C)C1 1071571072 YRYFLVZLHCGYDD-MNOVXSKESA-N 308.382 -0.026 30 20 DBED C=CCCN1CCC2(C1)CN(C(=O)CN1CC(=O)NC1=O)C2 1073062751 PZSXUBFQOWTUCN-UHFFFAOYSA-N 306.366 -0.351 30 20 DBED CC(=O)N1CCO[C@H](C(=O)N2CC3(CCN(CC#N)C3)C2)C1 1073158428 WPJGATJPGHQUSS-ZDUSSCGKSA-N 306.366 -0.708 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)c2nnn(C(C)(C)C)n2)C1 1073610671 AIIYIZCPOVVPDY-LBPRGKRZSA-N 320.397 -0.118 30 20 DBED C#CCCN1CCO[C@H]2CCN(C(=O)C(C)(C)C(N)=O)C[C@H]21 1074271499 NJZAWNBZQMSYPA-OLZOCXBDSA-N 307.394 -0.177 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H](C)CCNC(=O)Cn1ncnn1 1076649727 XRWPQVRXUPAGSZ-GWCFXTLKSA-N 310.358 -0.989 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN2C2CCOCC2)C1 1077128719 BUJHBDVIHAZZOM-OWCLPIDISA-N 323.437 -0.023 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)c2cn3c(n2)COCC3)C1 1077230175 IRFWZQNLGCIGPD-DGCLKSJQSA-N 306.366 -0.236 30 20 DBED C#Cc1ccccc1CC(=O)N[C@@H]1CN(C[C@@H](C)O)C[C@H]1O 1078082837 WUORFORRYVHWMK-DAXOMENPSA-N 302.374 -0.248 30 20 DBED CN(C(=O)C(N)=O)[C@H]1CCCN(C(=O)CSCC#N)CC1 1079052337 NCSRHWLJWUVQLK-JTQLQIEISA-N 312.395 -0.432 30 20 DBED CCN(C(=O)C#CC(C)C)C1CN(C(=O)[C@H]2CCNC2=O)C1 1079733066 TVANUPNEXHKYQD-ZDUSSCGKSA-N 305.378 -0.159 30 20 DBED C#CCOCCC(=O)N(CC)C1CN(C(=O)[C@@H]2CCC(=O)N2)C1 1079771954 AJCWCNBIYQNBHK-ZDUSSCGKSA-N 321.377 -0.636 30 20 DBED C=CCOCC(=O)N1CC(N(CC)C(=O)Cn2nccn2)C1 1079846953 KKVXEGOTKQCHMW-UHFFFAOYSA-N 307.354 -0.460 30 20 DBED C#CCCN1C[C@@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)[C@H](C)C1 1080890608 VJRJONALDPCBJH-VXGBXAGGSA-N 320.393 -0.223 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)c2n[nH]cc2F)C[C@@H]1O 1081441135 DYJYJZRBGFIGLG-JQWIXIFHSA-N 322.340 -0.099 30 20 DBED C=CCCCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cnnn2C)C1 1081448112 WJYYFEMZYSEPHP-YPMHNXCESA-N 321.381 -0.280 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C[C@@H]1O 1081474870 VHXDEYHTDKREQR-JHZZJYKESA-N 318.373 -0.772 30 20 DBED Cc1cc(NC(=O)C(=O)N2CCO[C@@H]3CN(CC#N)C[C@@H]32)no1 1083272611 XJHNBDJJZDRCGS-WDEREUQCSA-N 319.321 -0.643 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)Cc2ccc(C(N)=O)nc2)C1 1083569384 QZYVPYDFXFGYNH-OLZOCXBDSA-N 304.350 -0.930 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2ncoc2[C@@H]2CCCO2)C1 1083698985 GBUOUQJDUXVYIA-WOPDTQHZSA-N 305.334 -0.066 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)c2cccnc2C(N)=O)C1 1084082028 YARQGWCPRRGLOE-MNOVXSKESA-N 324.768 -0.292 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](NC(=O)[C@H](C)N2CCOCC2)C1 1084127632 PUXGSWGIOCRBAO-ZNMIVQPWSA-N 311.426 -0.165 30 20 DBED C#CCCN1CC[C@@H]2CCN(C(=O)[C@H]3CN(C)C(=O)N3)C[C@@H]21 1085006744 UZHYLCHWRZKZMM-MCIONIFRSA-N 304.394 -0.044 30 20 DBED CC[C@@H]1[C@@H](NC(=O)[C@@H]2CN(C(C)=O)CCO2)CCN1CC#N 1087815681 XJEZVAWIDAPPTF-MJBXVCDLSA-N 308.382 -0.274 30 20 DBED CCN(c1nccnc1C#N)[C@H](C)CNC(=O)[C@@H]1CCNC1=O 1089723548 YSBQVHFCTQYCHR-GHMZBOCLSA-N 316.365 -0.185 30 20 DBED CN(C)C(=O)CN1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@H](O)C1 1090180619 SVVCNDHCUDFFTK-DGCLKSJQSA-N 319.365 -0.860 30 20 DBED CC#CCN1CC[C@@H](NC(=O)Cn2cc(C3CC3)nn2)[C@H](O)C1 1090319591 QZIWOXNSBNKFRA-UKRRQHHQSA-N 317.393 -0.270 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2ccc3c(n2)OCCO3)[C@H](O)C1 1090395162 ZVXZDRKRVGHMBI-ZYHUDNBSSA-N 318.333 -0.459 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2cnc3nccn3c2)[C@@H](O)C1 1090430939 QWZFFQVCYXXFTG-KBPBESRZSA-N 313.361 -0.082 30 20 DBED C=CCN1CC[C@H](NC(=O)Cn2nnnc2C(C)C)[C@@H](O)C1 1090632658 JNVRNXAUZVKNKZ-RYUDHWBXSA-N 308.386 -0.466 30 20 DBED Cn1cc(C(C)(C)C(=O)N[C@@H]2CCN(CC#N)C[C@H]2O)cn1 1090684876 COPKMESYNKKGOS-CHWSQXEVSA-N 305.382 -0.227 30 20 DBED CC(=O)N(C)CC(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@@H]1O 1091075196 XBLUOUWYFFOILZ-OLZOCXBDSA-N 317.349 -0.903 30 20 DBED COCCC(=O)N[C@@H]1CCN(c2ccnc(C#N)n2)C[C@H]1O 1092132882 YWUSEQCLKAJLHC-GHMZBOCLSA-N 305.338 -0.559 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1CNC(=O)[C@@H]1CCc2nnc(O)n2C1 1092743308 PAFPHTDFSMYSPJ-IJLUTSLNSA-N 318.381 -0.246 30 20 DBED C[C@]1(C(=O)NCCCNc2cnc(C#N)cn2)CNC(=O)C1 1094670227 CUBHCESTQLKETC-CQSZACIVSA-N 302.338 -0.207 30 20 DBED C#CCN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN1CCC(=O)NC1=O)C2 1095034322 NXHMDQJQKHVJEK-AVGNSLFASA-N 318.377 -0.469 30 20 DBED COC(=O)NCC(=O)N1CCCN(c2ccnc(C#N)n2)CC1 1095167310 DXHUKJDGNHJGSH-UHFFFAOYSA-N 318.337 -0.257 30 20 DBED COC(=O)NCC(=O)N[C@@H]1CCN(c2nc(C)cc(C#N)n2)C1 1096324713 KTRYRLGRRAXESN-SNVBAGLBSA-N 318.337 -0.292 30 20 DBED N#Cc1cnccc1N1C[C@@H]2CC[C@H](C1)N2C(=O)CNC(N)=O 1096882032 HNDYEVYINBSNOT-TXEJJXNPSA-N 314.349 -0.199 30 20 DBED C[C@H](CNC(=O)[C@H]1CCCS1(=O)=O)Nc1cnc(C#N)cn1 1097883314 KMTVHROOBBJCFS-MWLCHTKSSA-N 323.378 -0.158 30 20 DBED C[C@@H](CNC(=O)c1ccc2nnnn2c1)N=c1cc[nH]c(C#N)n1 1098153419 RXEYBAPBYBIEOG-VIFPVBQESA-N 323.320 -0.562 30 20 DBED Cc1cc(=N[C@@H](C)CCNC(=O)Cn2ncnn2)c(C#N)c[nH]1 1099553499 NNESKFUTVPDZLB-JTQLQIEISA-N 314.353 -0.323 30 20 DBED C#CCCCC(=O)N[C@@H]1CCN(CC(=O)NC2CC2)C[C@@H]1O 1099808019 ZYEXZXSBBKUKAT-KGLIPLIRSA-N 307.394 -0.380 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CCN(CC(=O)NC2CC2)C[C@@H]1O 1099821015 OCQMOKSYBPIGLQ-KGLIPLIRSA-N 307.394 -0.524 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)C(C)(C)C(N)=O)[C@@H](O)C1 1099887616 ICMWTPPEQOIGJQ-RYUDHWBXSA-N 313.398 -0.748 30 20 DBED CN(CCC(=O)N[C@H]1CCN(CC#N)C[C@H]1O)c1ccncc1 1099899016 LLBVSCOHJTURCA-LSDHHAIUSA-N 317.393 -0.017 30 20 DBED COC[C@H](O)CNC1CC(CNC(=O)c2cc(C#N)c[nH]2)C1 1100221741 SNRLWPFICFHREA-KGPNIALWSA-N 306.366 -0.008 30 20 DBED CCN(CCNC(=O)[C@@H]1COCCO1)c1cnc(C#N)cn1 1100479493 BACRHERXIKSODQ-LBPRGKRZSA-N 305.338 -0.294 30 20 DBED N#Cc1cccnc1N1CC[C@@H](CNC(=O)Cn2cnnn2)C1 1100927769 PNFHDMKRYSWWAF-NSHDSACASA-N 312.337 -0.418 30 20 DBED C#CCNC(=O)[C@H](C)NC1CC(CNC(=O)CN(C)C(C)C)C1 1101037221 DJDPIAONUBWHPA-NFOMZHRRSA-N 322.453 -0.051 30 20 DBED CC[C@@H](CNC(=O)CCNC(=O)NC)N=c1cc[nH]c(C#N)n1 1103064109 GVODNYAYIOFAGU-JTQLQIEISA-N 319.369 -0.604 30 20 DBED CNC(=O)NCC(=O)NC[C@H](C)CNc1nc(C)cc(C#N)n1 1104246653 ZKKMLHZNNFCOJI-VIFPVBQESA-N 319.369 -0.250 30 20 DBED C[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@H]1CCNCC#N 1104804107 PXIMQIBZIDZIAO-GHMZBOCLSA-N 307.354 -0.864 30 20 DBED C=CCNCc1cn(C2CN(C(=O)CNC(=O)CC)C2)nn1 1105192150 MHINFARXIFHWRU-UHFFFAOYSA-N 306.370 -0.537 30 20 DBED N#Cc1c(F)cccc1NC[C@@H](O)CNC(=O)Cc1nc[nH]n1 1105957854 OMVIWUGLRXCDGP-SECBINFHSA-N 318.312 -0.053 30 20 DBED C#CCOCCC(=O)NC[C@H](O)CNc1nc(C)cc(C#N)n1 1105970705 LWYYBVNIAJAEEP-ZDUSSCGKSA-N 317.349 -0.414 30 20 DBED N#Cc1cnc(NC[C@H](O)CNC(=O)Cc2cncs2)cn1 1105993096 FSODQYAWTOUIHX-JTQLQIEISA-N 318.362 -0.064 30 20 DBED Cn1cncc1C(=O)NC[C@H](O)CNc1ccc(C#N)nc1 1106010689 CRSBKOYUWPFPNN-GFCCVEGCSA-N 300.322 -0.110 30 20 DBED N#Cc1nc(=NC[C@H](O)CNC(=O)C2(CCF)CC2)cc[nH]1 1106030042 KASSKPZPGOUKQM-JTQLQIEISA-N 307.329 -0.201 30 20 DBED CCN(CCNc1cncc(C#N)n1)C(=O)CS(C)(=O)=O 1106686549 VOQMDXDIYGQEND-UHFFFAOYSA-N 311.367 -0.347 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)[C@@H](C)n1cncn1 1106731807 HOKYZBUVSUYWJL-LLVKDONJSA-N 314.353 -0.117 30 20 DBED CCN(CCNc1cnc(C#N)cn1)C(=O)[C@H]1COC(=O)N1 1106754122 DQVUMUWIAORDSQ-SNVBAGLBSA-N 304.310 -0.283 30 20 DBED CCN(CCNc1cnc(C#N)cn1)C(=O)CCn1cnnn1 1106817747 FWJVVKAWQXZRTE-UHFFFAOYSA-N 315.341 -0.315 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)[C@H](C)CC(N)=O 1106910219 XEXCHVPVMDMZHT-SNVBAGLBSA-N 304.354 -0.458 30 20 DBED C=C(C)CN1CC(n2cc(CNC(=O)[C@H](C)NC(N)=O)nn2)C1 1107160660 CIKBKDDBYBLGQM-JTQLQIEISA-N 321.385 -0.616 30 20 DBED C#CCN1CC(n2cc(CNC(=O)[C@H](COC)OC)nn2)C1 1107208305 YCULXHFAJSCTRG-ZDUSSCGKSA-N 307.354 -0.954 30 20 DBED C=CCN1CC(n2cc(CNC(=O)[C@H](C)OCCOC)nn2)C1 1107217472 MLASYNNGQROWSZ-LBPRGKRZSA-N 323.397 -0.012 30 20 DBED N#Cc1c[nH]ccc1=NC/C=C/CNC(=O)CCn1cnnn1 1107300115 LSDJXWGPZSIYNE-OWOJBTEDSA-N 312.337 -0.464 30 20 DBED CC#CCN1CCO[C@@](C)(CNC(=O)CCn2ccnn2)C1 1107897228 DIXRTVMJUHMHRL-HNNXBMFYSA-N 305.382 -0.101 30 20 DBED C#CCCN1CCO[C@@](C)(CNC(=O)C2CS(=O)(=O)C2)C1 1107968476 FMBLWPXLGWDUGP-AWEZNQCLSA-N 314.407 -0.739 30 20 DBED C[C@@H](CNc1cnc(C#N)cn1)NC(=O)CCn1cncn1 1108272048 SWDCHWOAHSLLNQ-JTQLQIEISA-N 300.326 -0.053 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)[C@H](NC(N)=O)C(C)(C)C)C1 1108341018 PUHYOKRPBLZVHQ-BLLLJJGKSA-N 324.425 -0.090 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)CN(CC)CC)CC2=O)C1 1108581686 XAWCIZJSRTYDIB-ZDUSSCGKSA-N 306.410 -0.637 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CN(C)c1ccnc(C)n1 1108940826 KVRBVLRZOKULBY-NSHDSACASA-N 303.366 -0.135 30 20 DBED C[C@@H](CN(C)c1ccc(C#N)nn1)NC(=O)C[C@@H]1CCC(=O)N1 1109007500 UBAYRLKZLWAUJN-QWRGUYRKSA-N 316.365 -0.042 30 20 DBED CN(CCCN=c1cc[nH]cc1C#N)C(=O)C1CS(=O)(=O)C1 1109531792 WPTQLSXAIIGXCV-UHFFFAOYSA-N 322.390 -0.320 30 20 DBED C=CCOCCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H]1CN(C)C(=O)N1 1109596447 RIUFFICWVMZPDI-RQJABVFESA-N 322.409 -0.066 30 20 DBED N#Cc1cnc(NC2(CNC(=O)CN3CCOCC3)CC2)cn1 1110096834 HZWXHMUCRQSMPS-UHFFFAOYSA-N 316.365 -0.259 30 20 DBED C[C@@]1(NC(=O)Cn2ncnn2)CCN(c2nccnc2C#N)C1 1110786080 MTWCVIAJFPJTGE-CYBMUJFWSA-N 313.325 -0.880 30 20 DBED CO[C@H](C)CC(=O)NC[C@]1(O)CCN(c2nccnc2C#N)C1 1111046012 VEAYDZGIQVLHQR-IAQYHMDHSA-N 319.365 -0.169 30 20 DBED CC(C)[C@@H](O)C(=O)N(CCO)CCNc1ccc(C#N)nn1 1111461988 YSMAQOCIJYZZPM-CYBMUJFWSA-N 307.354 -0.402 30 20 DBED CC(C)N(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1111465398 TVJUJBBZXNYMMC-MCIONIFRSA-N 321.425 -0.312 30 20 DBED N#Cc1nc(=NCCN(CCO)C(=O)c2ccns2)cc[nH]1 1111515884 RQAPXXFYXHMMJK-UHFFFAOYSA-N 318.362 -0.227 30 20 DBED COCCOCC(=O)N1C[C@H](C)[C@H](N=c2cc[nH]c(C#N)n2)C1 1112308136 AKRIXRYMHWNEMA-NWDGAFQWSA-N 319.365 -0.308 30 20 DBED CCOCC(=O)NC[C@H]1CN(c2nccnc2C#N)C[C@@H]1O 1112692115 KJGPFBOEUMWCAE-JQWIXIFHSA-N 305.338 -0.702 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(c2cncc(C#N)n2)C[C@H]1O 1112720109 GGVLNWDNIUWVFM-GXTWGEPZSA-N 313.361 -0.079 30 20 DBED N#CCSCC(=O)NC[C@H]1CN(c2ncccn2)C[C@@H]1O 1112724942 GSZBVJLWTRYTHA-QWRGUYRKSA-N 307.379 -0.353 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)C2=CCOCC2)CC1 1112786112 YUKCGMPWLLLHJE-ZDUSSCGKSA-N 305.378 -0.385 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H](C)N(C)c1cc(C)ncn1 1113567230 MWOSIRDLQWMXEL-LBPRGKRZSA-N 303.366 -0.135 30 20 DBED C#CCN1CCN(C(=O)CCNC(=O)c2cnccn2)CC1 1113653082 SKZGXGHZHBIPEN-UHFFFAOYSA-N 301.350 -0.626 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)c3cncnc3)[C@H]2C1 1114163126 AXJBMPZMEJDPKM-SCUASFONSA-N 315.377 -0.173 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1[C@@H]2CN(C[C@@H](O)COC)C[C@@H]21 1114420239 FLOJEAHAICOOLA-OWYFMNJBSA-N 321.421 -0.862 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)c3ccnnc3)[C@H]2C1 1114883519 ZQGBVOXHSKIXCE-ZZVYKPCYSA-N 315.377 -0.173 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)CN3CCCC3)[C@H]2C1 1115242150 WIZHAASFSWKPNO-STQMWFEESA-N 306.410 -0.569 30 20 DBED C[C@H](CNC(=O)C(=O)Nc1cnn(CC#N)c1)N(C)C1CC1 1116337714 QRXUHAJNKXKUKB-SNVBAGLBSA-N 304.354 -0.056 30 20 DBED N#Cc1cnc(N[C@H](CO)CNC(=O)Cc2ccon2)cn1 1121258874 YWRSVZOWTWWPGJ-NSHDSACASA-N 302.294 -0.532 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H](CO)N=c1cc(C)[nH]cc1C#N 1122037712 ZADCXMCPSIPENL-TZMCWYRMSA-N 316.361 -0.389 30 20 DBED CC(=O)N[C@H](C)C(=O)N(C)C[C@@H](O)CNc1ccc(C#N)cn1 1124059770 LUTGSJLNELSWHS-MFKMUULPSA-N 319.365 -0.291 30 20 DBED C=CCOCC(=O)NCCN[C@@H](C)C(=O)Nc1ncccn1 1124765099 LDEUPKWSMFBNQV-NSHDSACASA-N 307.354 -0.288 30 20 DBED CC(C)(C)[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)CC(N)=O 1125816562 LDKFFDGHRLTHTI-SECBINFHSA-N 304.354 -0.412 30 20 DBED C#CCO[C@@H](C)C(=O)NCCNC[C@H](C)CS(C)(=O)=O 1127051237 DIQXKINKPFENGL-RYUDHWBXSA-N 304.412 -0.589 30 20 DBED CC(=O)N(C)CC(=O)NCc1cnn2c1CN(CC#N)CC2 1128217754 DMBYLLXURBEDSH-UHFFFAOYSA-N 304.354 -0.683 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1cc(C2CC2)n(C)n1 1128864671 IKNOUSABWFIFPX-LLVKDONJSA-N 317.393 -0.245 30 20 DBED C#CCC1(C(=O)NCCN[C@@H]2CCCNC2=O)CCOCC1 1129117097 RCJKNQOMCTVSQE-CYBMUJFWSA-N 307.394 -0.209 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@@H]1CCn2cc(C)nc2C1 1130241187 RKTFNZGIBKEGGP-CYBMUJFWSA-N 317.393 -0.791 30 20 DBED C#CCN[C@@H]1CN(C(=O)CC(=O)NC)C[C@H]1c1cn(C)cn1 1130571244 ABNSEABXEWTYQY-WCQYABFASA-N 303.366 -0.927 30 20 DBED Cc1cc(C)c(C(=O)NCCNCC(=O)NCC#N)c(O)n1 1132052262 JXUCSVYXDZKAFL-UHFFFAOYSA-N 305.338 -0.637 30 20 DBED C#CCNC[C@H]1CN(C(=O)CCNS(C)(=O)=O)CC[C@@H]1C 1132864903 FEKPFTVSJAVYAY-STQMWFEESA-N 315.439 -0.367 30 20 DBED C[C@@H]1CCN(C(=O)c2cn(C)c(=O)cn2)C[C@H]1CNCC#N 1132993539 RYUIAAQTERRWEW-VXGBXAGGSA-N 303.366 -0.008 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1=O 1133936540 RWKSFFDIWVTNJR-FRRDWIJNSA-N 322.409 -0.619 30 20 DBED C=CCN[C@@H](C)C[C@@H](C)NC(=O)CN(C)S(=O)(=O)N(C)C 1134351981 MRLZXNDLVJIBQH-NWDGAFQWSA-N 320.459 -0.217 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)c1cncnc1O)NCC(=O)NCC#N 1134727144 ZMKRNYTWGKMYKI-VHSXEESVSA-N 320.353 -0.692 30 20 DBED C=CCN[C@@H](C)C[C@@H](C)NC(=O)c1c[nH]nc1S(N)(=O)=O 1135460624 PRHAQDIXOQEAGB-DTWKUNHWSA-N 315.399 -0.270 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)CCn1cc[nH]c(=O)c1=O)NCC#N 1135688075 ZVUSVIRHNWBLAF-WDEREUQCSA-N 307.354 -0.677 30 20 DBED CC(C)Cn1cc(C(=O)NCCNCC(=O)NCC#N)cn1 1135803999 XZDZWTDYZRTSHR-UHFFFAOYSA-N 306.370 -0.502 30 20 DBED C[C@H]1CCC[C@H](C)N1C(=O)C(=O)NCCNCC(=O)NCC#N 1135914224 ZBZOQYSKLCLQRN-RYUDHWBXSA-N 323.397 -0.879 30 20 DBED C#CCCN[C@@H](C)C[C@H](C)NC(=O)c1cc(=O)n2[nH]cnc2n1 1135923131 HQUNJNPEJLMFNI-QWRGUYRKSA-N 316.365 -0.073 30 20 DBED COCC#CCN1CCC2(C1)CN(C(=O)c1nccnc1N)C2 1147266122 CMGOVLSAQKCBSN-UHFFFAOYSA-N 315.377 -0.144 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cnccc1N(C)C 1148051987 ZZJJCRMXDDJWTF-UHFFFAOYSA-N 303.366 -0.784 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1c(C)cc(O)nc1C 1151806777 LRINQPDRODIAIU-GFCCVEGCSA-N 318.377 -0.139 30 20 DBED C#CCN1CCC(C(=O)NCCNCc2nccn2C)CC1 1152330244 KAPHHFFAANPCOO-UHFFFAOYSA-N 303.410 -0.029 30 20 DBED C=CCCOCC(=O)NCCNC[C@H](O)CN1CCCC1=O 1153085661 GKTQTIZGZRSUMY-ZDUSSCGKSA-N 313.398 -0.732 30 20 DBED C=CCNC(=O)CNCC1(CCNC(=O)[C@@H](C)NC(C)=O)CC1 1163285194 BNDFPJYXINNMMH-GFCCVEGCSA-N 324.425 -0.311 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NCCCNCc1nnnn1C 1167685783 WMSUVVVBAHHCFU-LBPRGKRZSA-N 323.401 -0.723 30 20 DBED C=CCNC(=O)CNCCCNC(=O)CC(=O)NCC1CC1 1170556525 SSRBEFSKOIXLGU-UHFFFAOYSA-N 310.398 -0.699 30 20 DBED CC#CCNCCCNC(=O)c1cn(CC(=O)N(C)C)nn1 1176971714 GEVHNOJZDCFGKQ-UHFFFAOYSA-N 306.370 -0.901 30 20 DBED C#CCCN1CCO[C@H]2CCN(C(=O)COCCN(C)C)C[C@@H]21 1177137807 GSLMWPUBOKUZKD-HOTGVXAUSA-N 323.437 -0.110 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)C3(C(=O)NC)CCC3)C[C@@H]21 1177140157 WMNLZNOFHLJTQE-UONOGXRCSA-N 319.405 -0.162 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2cc[n+]([O-])cc2)[C@H]1C 1178058060 KNPSKFOSPBEYDC-JSGCOSHPSA-N 316.361 -0.738 30 20 DBED C[C@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)[C@@]12COC[C@@H]1C2 1178731611 ZTRVREWHKXQBIM-ASHKBJFXSA-N 306.366 -0.758 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2[nH]cnc2CC)[C@H]1C 1180033398 PITYNJMIODOSHO-AAEUAGOBSA-N 317.393 -0.086 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2ncoc2CC)C1 1181778764 CWCKCZNYIFKKTP-LLVKDONJSA-N 304.350 -0.210 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2ocnc2C)C1 1181878199 HMOOXYBAIBNFTP-VXGBXAGGSA-N 304.350 -0.075 30 20 DBED CNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)C#CC(C)(C)C)C1 1182449349 BRYZXYCFLJYJOI-LLVKDONJSA-N 308.382 -0.318 30 20 DBED C#CCCN[C@@H]1CCN(C(=O)[C@H](C)NS(=O)(=O)CC)C1 1182754262 CHGJIJRKTIVBDZ-NWDGAFQWSA-N 301.412 -0.472 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2cccnc2)C1 1188643973 ZHFCINNDQRQVSL-CQSZACIVSA-N 300.362 -0.023 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@H](N(C)CC(=O)N(C)C)C1 1190726296 YMBVHBDDIBLTHW-GJZGRUSLSA-N 320.437 -0.295 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)c2ccn(C)c2)C1 1192205986 NLUWSTLMRCASBG-IACUBPJLSA-N 320.393 -0.509 30 20 DBED C[C@H](NC(=O)CN1C[C@@H](O)[C@H](NC(=O)C#CC2CC2)C1)C1CC1 1192826268 FDNUAKKSZJHBPD-NILFDRSVSA-N 319.405 -0.524 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)C[C@H](C)N2CCCCC2=O)C1 1192944994 XQEYKOHUYSYDHJ-RRFJBIMHSA-N 321.421 -0.038 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)[C@H](C)NS(=O)(=O)CC)C1 1193140787 HTJWVUFPCRGSOH-QJPTWQEYSA-N 319.427 -0.948 30 20 DBED CCn1nc(C)cc1C(=O)N[C@@H]1CN(CC#CCOC)C[C@H]1O 1196376586 INCRHJODXDDXQA-UKRRQHHQSA-N 320.393 -0.364 30 20 DBED COCC#CCN1CCCN(C(=O)[C@H]2CC[C@H]2C(N)=O)CC1 1196724076 APWLGVBOVKBJNL-KGLIPLIRSA-N 307.394 -0.318 30 20 DBED CC(C)[C@H](C(=O)N[C@@H]1CN(CC#N)C[C@H]1O)N1CCCC1=O 1199421874 GUZKPRKXSKTPDZ-YRGRVCCFSA-N 308.382 -0.682 30 20 DBED C=CCN1CC[C@H](N[C@H]2CCCN(C(=O)CC(=O)NC)C2)C1=O 1207902586 PAAKWAFJGVFSJB-STQMWFEESA-N 322.409 -0.510 30 20 DBED C#CCOCCC(=O)N1CCC[C@H](N[C@@H]2CCCNC2=O)C1 1208032557 SRIQBAYEMPTVBK-UONOGXRCSA-N 307.394 -0.115 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1CN(CC(N)=O)C[C@H]1C 1209178062 BSJKVHBVRJKDLU-RAIGVLPGSA-N 310.398 -0.621 30 20 DBED COCC#CCN[C@@H]1CCCN(C(=O)c2ccc(C(N)=O)[nH]2)C1 1209668486 CHOJEIJKVFCKDO-GFCCVEGCSA-N 318.377 -0.042 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)Cc2ncc[nH]2)[C@H](C)C1 1209741236 TUQVXMKWNHJQEY-JHJVBQTASA-N 317.393 -0.473 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(CC(=O)NC(C)C)C[C@H]1OC 1212032214 PWLHSCVOXZJLNL-CHWSQXEVSA-N 313.398 -0.471 30 20 DBED COCC#CCN1C[C@@H](NC(=O)c2cc(=O)n(C)o2)[C@H](OC)C1 1212168053 PCMTTWRWTZRKPE-DGCLKSJQSA-N 323.349 -0.943 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)[C@H](OC)C1 1213246058 OBKJXCHAQHZRHE-YNEHKIRRSA-N 309.410 -0.014 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)c2cnccn2)C[C@H]1C 1214068634 SXCRHKIIPBKAEN-DGCLKSJQSA-N 301.350 -0.724 30 20 DBED CNC(=O)NC(=O)[C@H](C)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C 1214587714 NUYWCNONXXYABU-NTZNESFSSA-N 320.393 -0.320 30 20 DBED C=CCOCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)Cn1cncn1 1219021349 MWTJQMQDWHNKDP-UONOGXRCSA-N 321.381 -0.608 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2cncc(F)c2)C[C@@H]1O 1219605022 GYESYHHYGNKRAP-DFBGVHRSSA-N 321.352 -0.080 30 20 DBED C#CCC1(C(=O)N[C@@H]2CN([C@H]3CCN(C)C3=O)C[C@@H]2O)CCC1 1219785018 AIIHUAFIFBCNIQ-RDBSUJKOSA-N 319.405 -0.428 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)CNC(=O)c2cccnc2)C1 1220399492 ULTCPXYTHPTXEM-KGLIPLIRSA-N 318.377 -0.451 30 20 DBED C=CCCCN1C[C@H](O)[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1 1220539992 YWDXXDHQNJKRRN-NEPJUHHUSA-N 309.366 -0.833 30 20 DBED C[C@H](C#N)C(=O)NC1CCN(CCN2C(=O)CCC2=O)CC1 1226647656 CVXTZYGBRVRIBY-LLVKDONJSA-N 306.366 -0.124 30 20 DBED N#CCNC(=O)CN1CCC(NC(=O)Cc2ccc[nH]2)CC1 1230310761 YXEFEVPHIDNCNW-UHFFFAOYSA-N 303.366 -0.222 30 20 DBED CC#CCN1CCS(=O)(=O)[C@@H](CCNC(=O)c2ncc[nH]2)C1 1230459072 AZJCOSDUIVGAPI-LBPRGKRZSA-N 324.406 -0.348 30 20 DBED C[C@H](C#N)C(=O)N(C)C[C@@H]1CCN1CCCN1C(=O)CNC1=O 1231294564 ZDHGCJGPISFXMB-NEPJUHHUSA-N 321.381 -0.379 30 20 DBED C=CCNC(=O)CN(C)CCCNC(=O)[C@H]1C[C@@H]1C(=O)OC 1235505767 MCTKYDFBTCLIAY-RYUDHWBXSA-N 311.382 -0.464 30 20 DBED C[C@H](O)C[C@@H]1COCCN1C(=O)C(=O)Nc1cnn(CC#N)c1 1255532078 UCXIIHZOTLMIAA-CMPLNLGQSA-N 321.337 -0.657 30 20 DBED C=C[C@@H]1CCCCN1C(=O)C(=O)NC[C@@H]1CN(C)CCN1C 1258384456 XALHOTABCFZTNG-ZIAGYGMSSA-N 308.426 -0.085 30 20 DBED C=CCOC[C@@H](NC(=O)[C@H](C)CN1CCOCC1)C(=O)O 1262177083 KAHKAGJUEDLAOM-VXGBXAGGSA-N 300.355 -0.273 30 20 DBED CN1CCC[C@@H]1C(=O)N1CCC[C@H](C(=O)NCCNCC#N)C1 1265879829 WIVKAHRLARKFGX-UONOGXRCSA-N 321.425 -0.451 30 20 DBED COCCCS(=O)(=O)NCC(=O)Nc1cnn(CC#N)c1 1319880622 RWGBDSYJBHZLKK-UHFFFAOYSA-N 315.355 -0.699 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)Nc1cccc(OCC(N)=O)c1 1321240331 DNMJMYKWQWOCFL-JTQLQIEISA-N 321.333 -0.194 30 20 DBED C#CCNC(=O)C1CCN(C(=O)c2coc(C(N)=O)c2)CC1 1321274274 AYQAVOVPIMEJLC-UHFFFAOYSA-N 303.318 -0.020 30 20 DBED C#CCNC(=O)COC(=O)[C@@H](C)S(=O)(=O)C1CCOCC1 1322668905 WQDHRQXHIUUVGB-SNVBAGLBSA-N 317.363 -0.739 30 20 DBED COC1(CNC(=O)C(=O)N2CCO[C@H](C#N)C2)CCOCC1 1322981401 OSPZHOXQAOHBRH-LLVKDONJSA-N 311.338 -0.951 30 20 DBED C#C[C@@H](NC(=O)C(=O)N1CC(c2nc(C)no2)C1)[C@H]1CCCO1 1323819230 HSKFEXSIXWDBGT-VXGBXAGGSA-N 318.333 -0.399 30 20 DBED N#Cc1cccc(NC(=O)C(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)c1 1323858272 OIFMVRQNCLTXDS-NEPJUHHUSA-N 316.317 -0.354 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@H](C)CCN(C)C 1323982227 VNYVKYSUSLDKQO-LLVKDONJSA-N 319.427 -0.840 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)NCC1(OC)CCOCC1 1324211614 QQINTPBKNQETIY-LLVKDONJSA-N 300.355 -0.385 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CCSC[C@H]1CCO 1324234846 KLLDEZFYVYFFNQ-GHMZBOCLSA-N 302.396 -0.370 30 20 DBED CC(C)CN1CCN(C(=O)C(=O)N2CCO[C@@H](C#N)C2)CC1=O 1325214328 KGBBVCCPLBOTEL-LBPRGKRZSA-N 322.365 -0.936 30 20 DBED C=CCN(CCOC)C(=O)C(=O)NCc1nnc2n1CCC2 1327373581 PIYJIIIYFULRSY-UHFFFAOYSA-N 307.354 -0.499 30 20 DBED C#CCN(C(=O)C(=O)NC[C@@H]1COCCN1)C1CCCCC1 1330052604 SHVRATXBNPGQGU-CYBMUJFWSA-N 307.394 -0.115 30 20 DBED C=CCOCCNC(=O)C(=O)N[C@@H](C)CO[C@H]1CCOC1 1330760982 MQDSSXNRMXJDPU-RYUDHWBXSA-N 300.355 -0.385 30 20 DBED C#CCOCCn1nnnc1N1CCN(C(C)(C)COC)CC1 1335754237 FPFXMHFDKYUAEM-UHFFFAOYSA-N 322.413 -0.130 30 20 DBED C#CCN1CCN(C(=O)CCc2nc(-c3nc[nH]n3)no2)CC1 1336010226 DCJIOFBRAYYZRF-UHFFFAOYSA-N 315.337 -0.435 30 20 DBED C[C@H](C(=O)NC1(C#N)CCC1)N1CCC(S(N)(=O)=O)CC1 1338766385 DTWIDPDMFYRMRG-SNVBAGLBSA-N 314.411 -0.310 30 20 DBED C[C@@H]1C[C@@H](NC(=O)C(=O)NC2CCN(CC#N)CC2)CCN1C 1341936651 WADHXMKJAHQYHV-OCCSQVGLSA-N 321.425 -0.311 30 20 DBED C=CCN1CCC(NC(=O)C(=O)N(C)CCC(=O)NC)CC1 1346153436 SFDZKGXRLAHZQU-UHFFFAOYSA-N 310.398 -0.653 30 20 DBED C=CCn1cc(CNC(=O)N[C@@H](C)[C@@H]2CN(C)CCN2C)nn1 1348833324 ZFBLUMFEZFODMQ-JSGCOSHPSA-N 321.429 -0.102 30 20 DBED C=C/C=C/CCNC(=O)C(=O)NCCS(=O)(=O)CC=C 1353753217 BDVQJRWXPBXSBU-AATRIKPKSA-N 300.380 -0.048 30 20 DBED COC(=O)[C@H]1C[C@@H](O)CN1C(=O)CNc1ccc(C#N)cn1 1363187186 WNVYMCHIRHOZPE-GHMZBOCLSA-N 304.306 -0.500 30 20 DBED CN1CCC2(CCN(c3[nH]c(=O)n(C)c(=O)c3C#N)CC2)C1=O 1363725255 BPWAOTVYMWFDER-UHFFFAOYSA-N 317.349 -0.606 30 20 DBED COCC[C@@H](C)NC(=O)NCCn1cc(C#N)c(O)nc1=O 1364524914 RVUKZHDWQIMELK-SECBINFHSA-N 309.326 -0.455 30 20 DBED N#Cc1ccc(C(=O)NC[C@@H](O)CNC(=O)C[C@H]2CCOC2)[nH]1 1399810887 UHENCIDPAGGUCX-PWSUYJOCSA-N 320.349 -0.480 30 20 DBED Cc1nc(CC(=O)NC[C@H](C)NC(=O)c2cc(C#N)c[nH]2)n[nH]1 1400159337 MLSRJKBKMAALQX-QMMMGPOBSA-N 315.337 -0.210 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](C)CN(C)C(=O)CCCS(C)(=O)=O 1405095847 JFIWYBHSTFAUFB-WDEREUQCSA-N 317.411 -0.066 30 20 DBED COCC1(CC(=O)NCCn2cc(C#N)c(O)nc2=O)CC1 1413310079 SNBRAKXBGYLIOM-UHFFFAOYSA-N 306.322 -0.247 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1C[C@H](NCC(=O)N2CCOCC2)C1 1418681116 HYADNAFQRHASME-AVGNSLFASA-N 308.382 -0.511 30 20 DBED CC(C)c1ncncc1C(=O)NC[C@@H](O)CNC(=O)[C@@H](C)C#N 1433301545 XVKXOQXMNGTHBN-QWRGUYRKSA-N 319.365 -0.033 30 20 DBED C=C(Cl)CNC[C@H](C)CNC(=O)CN(C)S(C)(=O)=O 1438497578 LCRGILISYNDTBO-VIFPVBQESA-N 311.835 -0.028 30 20 DBED C[C@H](C#N)C(=O)N(CCNC(=O)CN1CCCC1=O)C1CC1 1449806787 WGSJPUJFCUXLRY-LLVKDONJSA-N 306.366 -0.124 30 20 DBED COC(=O)C1(C#N)CCN(C(=O)NC[C@H]2COCCO2)CC1 1468141978 SBDDFCSUXZNWHG-NSHDSACASA-N 311.338 -0.110 30 20 DBED C[C@](O)(CC(=O)N1CC[C@H](NCC(=O)NCC#N)C1)C1CC1 1491721087 HUGGDUSFOXQXRJ-WFASDCNBSA-N 308.382 -0.632 30 20 DBED C[C@H](C#N)C(=O)N(C)CC(C)(C)CNCc1nc(=O)n(C)[nH]1 1505801948 XBVYDBUNPJFWCA-SNVBAGLBSA-N 308.386 -0.158 30 20 DBED CC(=O)NCC(=O)N[C@@H](C)C1CN(C(=O)c2c[nH]c(C#N)c2)C1 1509377028 SVPGRUMWAGTZMQ-VIFPVBQESA-N 317.349 -0.401 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@]23CCC[C@H]2CNC3)C1=O 1514706269 AKGLTFBTSAHLQG-BONVTDFDSA-N 320.349 -0.779 30 20 DBED C=C(CCN(C)C)C(=O)N1CCN(C(=O)N2CCNCC2)CC1 1574849348 MLEFHNHYHYVVCJ-UHFFFAOYSA-N 323.441 -0.336 30 20 DBED C#CCNC(=O)[C@@H](C)OC(=O)Cc1ccc(-c2nn[nH]n2)nc1 1588353093 GEAFQYJJBRZUCR-SECBINFHSA-N 314.305 -0.515 30 20 DBED C=C(CCC(=O)O)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1588618910 FCEGNELPTDKLCF-GXFFZTMASA-N 312.347 -0.196 30 20 DBED Cc1onc(CC(=O)N2CC[C@](O)(CC#N)C2)c1-c1nn[nH]n1 1592516141 UCMINTYOPYLJRQ-CYBMUJFWSA-N 317.309 -0.417 30 20 DBED CN(C(=O)[C@](C)(C#N)CC(=O)O)[C@H]1CCN(S(C)(=O)=O)C1 1593676443 PNVCPLZEMCRHLK-CABZTGNLSA-N 317.367 -0.517 30 20 DBED C#C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@](OC)(C(=O)O)C2)C1 1602677342 USVZUDULGMOBOV-IAQYHMDHSA-N 308.334 -0.440 30 20 DBED O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CC2CC1(C(=O)O)C2 1609031821 OFGCOTMSWAXONG-OUKQBFOZSA-N 319.317 -0.022 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)O 1609993088 HEVZIVCDQBSTBJ-UKKRHICBSA-N 301.368 -0.025 30 20 DBED COCC#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)[C@]1(C)CCNC1=O 1752569121 ZDSXNYZLWYBTAU-JKIFEVAISA-N 319.405 -0.162 30 20 DBED C#CCN1CCC[C@@H](CNC(=O)CCCN2C(=O)CNC2=O)C1 1752789781 KZIIJERJAODSFF-ZDUSSCGKSA-N 320.393 -0.220 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@H]1CCN(C(=O)CCOCC)C1 1752932327 JWRCXFZEFBBQFW-UONOGXRCSA-N 309.410 -0.011 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CCN(Cc2cnnn2C)C1 1753126207 YQAQRCDPGWBECV-ZDUSSCGKSA-N 305.382 -0.207 30 20 DBED C=CCOCC(=O)N(C)[C@H](C)CN[C@H](C)C(=O)NC(=O)NC 1753681756 CSIVWLATFGPTBY-GHMZBOCLSA-N 314.386 -0.530 30 20 DBED C#CCN[C@H](CNC(=O)c1cn(CC(=O)N(C)C)nn1)C(C)C 1753845075 GJBJKIHNEBWMOL-GFCCVEGCSA-N 320.397 -0.657 30 20 DBED C#CCNC(=O)CNC[C@H](O)CNC(=O)C1[C@@H]2CCCC[C@@H]12 1753916462 PNTOBZKVDIFZLX-YNEHKIRRSA-N 307.394 -0.761 30 20 DBED C=CCNC(=O)[C@@H](C)NC/C=C/CNC(=O)C1=COCCO1 1754092241 KAFWNVXQEMQAFJ-ZYOFXKKJSA-N 309.366 -0.173 30 20 DBED C#CCNC(=O)CN[C@@H](C)[C@H]1CCN(C(=O)c2[nH]cnc2C)C1 1754809579 VNWJJRWKNDZDGM-AAEUAGOBSA-N 317.393 -0.092 30 20 DBED CCc1cc(C(=O)N[C@@H](C)[C@@H](C)NCC(=O)NCC#N)n[nH]1 1755226947 FJZIKMQMEZBOPQ-ZJUUUORDSA-N 306.370 -0.292 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@H](C)CNC(=O)C1CN(C(C)=O)C1 1755295962 HJXMBBWDCOSQPU-VXGBXAGGSA-N 322.409 -0.961 30 20 DBED C=CCNC(=O)CN(C)[C@H](C)CNC(=O)[C@]1(CC)CCNC1=O 1755302459 BSNCXASBOGBHTP-MLGOLLRUSA-N 324.425 -0.359 30 20 DBED C#CCNC(=O)CN1CC([C@H](C)NC(=O)c2cccn2C)C1 1755369669 CSJZIAYMBVUWPE-LBPRGKRZSA-N 302.378 -0.175 30 20 DBED CCOCCNC(=O)CN[C@@H](C)CN(C)C(=O)C#CC1CC1 1755587098 WJVOBXLACNSCAG-ZDUSSCGKSA-N 309.410 -0.011 30 20 DBED C#CCNC(=O)CN[C@@H]1C[C@H](C)N(C(=O)c2nn(C)cc2C)C1 1755678977 QTNNQARWRORQHN-QWHCGFSZSA-N 317.393 -0.329 30 20 DBED Cc1nocc1C(=O)N1C[C@H](NCC(=O)NCC#N)C[C@H]1C 1755681601 MYJSEDXSIKHIME-MWLCHTKSSA-N 305.338 -0.185 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC([C@@H](C)NC(=O)c2cnon2)C1 1756168021 PCBRAMHNAWIUDF-OTYXRUKQSA-N 308.338 -0.027 30 20 DBED C=C[C@@](C)(O)CC(=O)N(C)C[C@@H](C)NC(=O)c1cnnn1C 1756447536 BVPWGEMOWDHIEU-QMTHXVAHSA-N 309.370 -0.281 30 20 DBED CC(C)C#CC(=O)N[C@@H](C)CN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 1756453437 NVQMWURLJRAYSQ-QWRGUYRKSA-N 322.365 -0.793 30 20 DBED C=C1CC(C)(C(=O)N[C@H](CO)CNC(=O)Cc2n[nH]c(C)n2)C1 1756519506 JHKDBSLVQRZJGE-NSHDSACASA-N 321.381 -0.395 30 20 DBED C=CCOCC(=O)NC[C@@H](O)CN(C)C(=O)c1cc(C)on1 1756650121 RBTHKJYWUUUKBY-LLVKDONJSA-N 311.338 -0.265 30 20 DBED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccno1)CCO2 1834155052 YVIOKMIJJODWQX-OAHLLOKOSA-N 319.317 -0.622 30 20 DBED CN(CCC#N)S(=O)(=O)NCCN1C(=O)CSC1=O 49238934 LNOFHFYBIFUQFE-UHFFFAOYSA-N 306.369 -0.638 30 20 DBED Cn1cnc(S(=O)(=O)N2CCN(CC#N)CC2)c1Cl 104740102 DGPGFYAZNTWBKK-UHFFFAOYSA-N 303.775 -0.097 30 20 DBED C#CCN1CCN(C(=O)Cn2nc3n(c2=O)CCCCC3)CC1 128208203 HHQGTHJPLUSMET-UHFFFAOYSA-N 317.393 -0.451 30 20 DBED NC(N)=NCc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 261881823 RCEIXIITCTZNRQ-LLVKDONJSA-N 312.395 -0.083 30 20 DBED C=CCSCCNC(=O)C(=O)N[C@@H](C)CN1CCOCC1 284063125 QNPCHMDQLRPDSV-LBPRGKRZSA-N 315.439 -0.141 30 20 DBED CC(C)[C@@H](Nc1c(C#N)c(=O)n(C)c(=O)n1C)c1nncn1C 286570043 LSGYSSYLPBEILK-SNVBAGLBSA-N 317.353 -0.107 30 20 DBED N#Cc1cncc(S(=O)(=O)N[C@H]2CC(=O)N(C3CC3)C2)c1 289603796 YAAJAJBECJMLAR-JTQLQIEISA-N 306.347 -0.005 30 20 DBED C#CCN1CCN(C(=O)CN(C)C[C@@H](O)C(F)(F)F)CC1 305778999 RFSURZUSCDRGMI-LLVKDONJSA-N 307.316 -0.381 30 20 DBED CN1CCN(C)[C@@H](C/N=C(/O)c2ccnc3c2nnn3C)C1 328758233 VPPXFBRLHLLYGE-JTQLQIEISA-N 303.370 -0.086 30 20 DBED CN1CCCN(/C(O)=N/[C@H]2CCCN(S(C)(=O)=O)C2)CC1 328811023 MRMXAHJMTUHFCT-LBPRGKRZSA-N 318.443 -0.038 30 20 DBED CN1CCO[C@H](CN/C(O)=N/CCN2CCSCC2)C1 329434940 LIMFRNLDYQLXRC-GFCCVEGCSA-N 302.444 -0.131 30 20 DBED CC(C)[C@@H]1C(=O)NCCN1C(=O)CNc1ccc(C#N)cn1 330574668 ZTBCEMJFUBHEDF-CQSZACIVSA-N 301.350 0.348 30 20 DBED C=C[C@@H]1CCCCN1CC(=O)c1c(N)n(C)c(=O)n(C)c1=O 331152731 OSQBJIGVYISANE-SNVBAGLBSA-N 306.366 -0.111 30 20 DBED N#C[C@H]1CN(S(=O)(=O)NCc2ccnc3ccnn23)CCO1 336896154 NIDQNJPIDDATSS-NSHDSACASA-N 322.350 -0.712 30 20 DBED CC[C@H]1CN(S(=O)(=O)N(CCC#N)CCOC)C[C@H]1O 336941736 JVQPQCJKTRTZDC-NWDGAFQWSA-N 305.400 -0.204 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N2CC[C@@]3(CCOC3)C2)CCO1 336951561 UUNWPSJOXBEFAZ-VXGBXAGGSA-N 301.368 -0.432 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)NCCN(C)CCOC 337193180 UKZXHDVJCSUMSR-GFCCVEGCSA-N 306.432 -0.119 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)NCCN(C)CCOC 337193182 UKZXHDVJCSUMSR-LBPRGKRZSA-N 306.432 -0.119 30 20 DBED COCCN([C@H](C)C(N)=O)S(=O)(=O)N(C)[C@H](C)CC#N 337836152 UMFJDPSSVCVHAH-NXEZZACHSA-N 306.388 -0.713 30 20 DBED N#CCNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 339927417 XCECOVZNWAIOFI-UHFFFAOYSA-N 312.307 -0.097 30 20 DBED C=C[C@](C)(O)CC(=O)NCc1ccc(C(=O)NCC(N)=O)cc1 346226227 VTFUXXQMVWBFFX-INIZCTEOSA-N 319.361 -0.155 30 20 DBED C=C[C@H](CO)NC(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 359659588 RWXPIZCXAKWVAR-GHMZBOCLSA-N 320.415 -0.897 30 20 DBED C[C@@H]1OCC[C@@]12CN(S(=O)(=O)N(C)CCC#N)CCO2 359932469 GREGDMZREPLKLA-NWDGAFQWSA-N 303.384 -0.044 30 20 DBED C=CCC[C@@H](CO)NC(=O)NCCNS(=O)(=O)NC(C)C 458705243 BGSAMVMSXDOCJW-NSHDSACASA-N 322.431 -0.555 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)CCc2cncnc2)CC1 491733832 KSFDWAQFWKHNID-UHFFFAOYSA-N 315.377 -0.697 30 20 DBED C=CC[C@H](CC)NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 563454944 QNULBHJFPQLYRZ-SRVKXCTJSA-N 308.382 -0.772 30 20 DBED O=C(CCNS(=O)(=O)c1cccs1)NCC#CCO 567248730 LKYCTURITVKRNP-UHFFFAOYSA-N 302.377 -0.472 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H](CC(=O)OC)C(=O)O 568002585 GQHULHUAWANSBX-BDAKNGLRSA-N 321.355 -0.681 30 20 DBED CCN(C[C@@H](C)C#N)C(=O)Cn1cnc2c(c1=O)CCNCC2 578984633 JMNFUKQEIJPTLC-LBPRGKRZSA-N 317.393 -0.060 30 20 DBED N#Cc1cncc(Nc2ccn(CC(=O)N3CCOCC3)n2)n1 583021757 MWBQKMFEVBLSBH-UHFFFAOYSA-N 313.321 0.147 30 20 DBED N#Cc1cccc(NC(=O)C(=O)N2CCC[C@@H](OCCO)C2)n1 592285654 HMGLLBJOQALYJQ-GFCCVEGCSA-N 318.333 -0.108 30 20 DBED CO[C@@H]1CS(=O)(=O)C[C@H]1NS(=O)(=O)CC(C)(C)CC#N 594823018 QGLHNUURCDDOCU-NXEZZACHSA-N 324.424 -0.342 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCC(=O)N(C)CC1 594866967 ZVMYGWVEVIBLAU-LLVKDONJSA-N 302.400 -0.123 30 20 DBED C=CCCCN(C)C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 595995675 WGPIPRYNOMGYAX-VXGBXAGGSA-N 308.382 -0.819 30 20 DBED COC(=O)C[C@H](O)CNS(=O)(=O)c1cccc(CC#N)c1 599460905 APIGKLSVOGFCKP-NSHDSACASA-N 312.347 -0.045 30 20 DBED C[C@@H]1C[C@@H](CO)CN(C(=O)C(=O)N2CCN(CCC#N)CC2)C1 601497316 RKSGJEFTTCJOBM-ZIAGYGMSSA-N 322.409 -0.479 30 20 DBED COC(=O)c1cnn(CC(=O)N2CCN(CCC#N)CC2)c1 602198667 KLIARNVNUOTOJU-UHFFFAOYSA-N 305.338 -0.272 30 20 DBED CN(C)C1(CNC(=O)C(=O)N2CCN(CCC#N)CC2)CCC1 602247192 QCCCILKTEKTJBX-UHFFFAOYSA-N 321.425 -0.355 30 20 DBED Cn1cc(C#N)c(NC(=O)NCCCN2C(=O)CCC2=O)n1 610562485 VQMAAZGQVFHZTR-UHFFFAOYSA-N 304.310 -0.048 30 20 DBED CC#CC[C@@H](CO)NC(=O)[C@@](C)(O)Cn1c(C)cccc1=O 649181916 LLILXRBBKONADI-BBRMVZONSA-N 306.362 -0.202 30 20 DBED C=C[C@@H]1OCC[C@H]1NC(=O)NC1CC(NS(C)(=O)=O)C1 652645730 IFJMWHCAAQAUOY-LXKPXOPUSA-N 303.384 -0.291 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(C)C(C)(C)C(=O)O)C1=O 736108924 WJBIWSGGNCJMRF-UHFFFAOYSA-N 311.294 -0.715 30 20 DBED CNC(=O)c1cncc(/C=C\C(=O)N(CC#N)CC(=O)O)c1 737552069 NSTHQLIBGUMDHA-IHWYPQMZSA-N 302.290 -0.109 30 20 DBED N#Cc1c(N)n[nH]c1CCCNc1nccnc1-c1nn[nH]n1 737704613 IDJASQQNFQRPNM-UHFFFAOYSA-N 311.313 -0.122 30 20 DBED C#CCNC(=O)C1CCN(C(=S)NCC(=O)N(C)C)CC1 747618272 UXAVCSPRMGCKLO-UHFFFAOYSA-N 310.423 -0.590 30 20 DBED C#CCOCCNC(=O)C(=O)Nc1cc(C)[nH]c1C(=O)OC 759402617 QXIVHKDNYCSKIU-UHFFFAOYSA-N 307.306 -0.186 30 20 DBED COC[C@@H](NC(=O)COc1ccc(C#N)cc1OC)C(N)=O 760065263 POHGZXSBBZUNDB-SNVBAGLBSA-N 307.306 -0.438 30 20 DBED O=C(C#Cc1ccc2c(c1)OCO2)OCCN1C(=O)CNC1=O 761216154 RFRKIBUJBPZKSX-UHFFFAOYSA-N 316.269 -0.138 30 20 DBED COCC#CCOC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 762783173 WSBBDPQDVHNDME-AUZPSNTRSA-N 303.314 -0.014 30 20 DBED CC(=O)N1CCOC[C@@H]1C(=O)NCCNc1ccc(C#N)cn1 763722598 CVOBEBMIQVJUFC-CYBMUJFWSA-N 317.349 -0.271 30 20 DBED C#CCC(C)(C)C(=O)NCCS(=O)(=O)N1CCOCC1 767071698 LIEGERJRTZLHNP-UHFFFAOYSA-N 302.396 -0.186 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCOC[C@@H]1C[C@H](C)O)[C@@H]1CCCO1 774247597 AJOKTYDGENAOOH-XUXIUFHCSA-N 324.377 -0.718 30 20 DBED CC(C)[C@H](F)C(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1 784509562 DBHZRXOMJKRJAQ-UWVGGRQHSA-N 304.343 -0.054 30 20 DBED CNS(=O)(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 795926806 UMPUPOVTRQDKJA-BDAKNGLRSA-N 304.372 -0.201 30 20 DBED C[C@H](C#N)OCCOC(=O)CNS(=O)(=O)c1cnn(C)c1 801824562 HBBSAVLKXUFDAQ-SECBINFHSA-N 316.339 -0.830 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)NC[C@H](C)S(C)(=O)=O 828413969 ZKUVVCFDYINJIG-NSHDSACASA-N 318.395 -0.966 30 20 DBED CCOC(=O)Cn1ccc(NC(=O)N[C@H]2CNC[C@H]2C#N)n1 848598720 QECWGZJFZLWWNC-ZJUUUORDSA-N 306.326 -0.321 30 20 DBED C#Cc1cncc(C(=O)N2CCCC[C@@H]2CNS(N)(=O)=O)c1 854839997 MAUVLEXMTKLZGR-CYBMUJFWSA-N 322.390 -0.149 30 20 DBED CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)COc1cccc(C#N)c1 855476301 MVNWLZOJFMPKOT-OLZOCXBDSA-N 324.358 -0.135 30 20 DBED CN1C(=O)CN(CC(=O)OCC(=O)N[C@](C)(C#N)C2CC2)C1=O 860300919 GMJBXLWOZKAAIB-CQSZACIVSA-N 322.321 -0.768 30 20 DBED C#CCN(CC#CC)C(=O)c1cn(C[C@H]2CNC(=O)O2)nn1 889244626 RCZNAPDMJMLKIW-LLVKDONJSA-N 301.306 -0.515 30 20 DBED COC(=O)COC(=O)CNS(=O)(=O)c1cccc(C#N)c1 916615325 UUFZZZCEPFPFAJ-UHFFFAOYSA-N 312.303 -0.447 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1cc(=O)n(C)cn1 937501865 OQRCELXONMGMBK-DCAQKATOSA-N 315.333 -0.635 30 20 DBED C[C@H]1CN(CC#N)CC[C@@H]1NC(=O)CN1CCCS1(=O)=O 942107440 WKHCZLJLWWAXRL-RYUDHWBXSA-N 314.411 -0.628 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCN(C(=O)Cn3cnnn3)CC2)C1 944850596 USQYNEROIFZZRC-NSHDSACASA-N 317.353 -0.716 30 20 DBED C[C@@H]1C[C@H](NC(=O)c2cn(C)c(=O)nc2O)CCN1CC#N 948032545 UYFWYTAIJCAZKQ-NXEZZACHSA-N 305.338 -0.408 30 20 DBED C#CCN1CCC[C@@H](N(C)C(=O)Cn2ccc(O)nc2=O)CC1 948590883 OHNJMJBLHJWNBZ-CYBMUJFWSA-N 318.377 -0.105 30 20 DBED C=CCn1cccc1C(=O)NC[C@H]1CCN1C(=O)CC(N)=O 950588066 VJPWTMJPYVOING-LLVKDONJSA-N 304.350 -0.120 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]1CNC(=O)c1cc(C(N)=O)c[nH]1 951834198 RJYHWMORFHUMMQ-PSASIEDQSA-N 303.322 -0.396 30 20 DBED CN(C(=O)c1cc(C#N)c[nH]1)C1CN(C(=O)c2cnnn2C)C1 953989852 FNNYXWMQTRUNGL-UHFFFAOYSA-N 313.321 -0.389 30 20 DBED C=CCN1CC[C@H](N2CCN(C(=O)c3nonc3C)CC2)C1=O 957912586 SZZXQQHPPAKZOA-LBPRGKRZSA-N 319.365 -0.077 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](CNC(=O)c2cc(=O)n(C)o2)C1 957999810 NSRVIHHTDLRTLN-NEPJUHHUSA-N 309.366 -0.033 30 20 DBED CC#CCN1C[C@H](O)[C@H](CNC(=O)c2cccc(C(N)=O)c2)C1 958190830 NYFZBBJFHMMQPP-CABCVRRESA-N 315.373 -0.169 30 20 DBED CC#CCN1C[C@@H](O)[C@H](CNC(=O)c2cccc3ncnn23)C1 958228759 SXQRRQCQYLOUCT-TZMCWYRMSA-N 313.361 -0.225 30 20 DBED COc1cc(O)ncc1C(=O)NC[C@@H]1CN(CC#N)C[C@@H]1O 958413744 UDAZKTRHRYUUPO-KOLCDFICSA-N 306.322 -0.658 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cc2cc[nH]n2)C1 958772872 RBPWMXTVIWLIPE-DLOVCJGASA-N 305.338 -0.858 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2csc(O)n2)C1 958925857 BIAAKAKXDYZCAG-JEZHCXPESA-N 324.362 -0.348 30 20 DBED CC(C)(C)n1nnc(CC(=O)NC2[C@@H]3CN(CC#N)C[C@@H]23)n1 960071946 HNLQTFZSNUNRFH-NXEZZACHSA-N 303.370 -0.459 30 20 DBED CC#CCN1C[C@H]2C(NC(=O)[C@H]3CCc4nnc(O)n4C3)[C@@H]2C1 960656305 PLFDTJKMHJSTJZ-QJPTWQEYSA-N 315.377 -0.384 30 20 DBED N#Cc1cc(CN2C[C@H]3C(NC(=O)C(N)=O)[C@@H]3C2)ccc1F 961640211 OLSQPKYFLMUFDV-GHMZBOCLSA-N 302.309 -0.271 30 20 DBED CC[C@H](OC)C(=O)N1C[C@H](O)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 962330135 YGHIBJUPLLUMOK-AGIUHOORSA-N 320.349 -0.387 30 20 DBED C=C(C)CN1C[C@@H]2C(NC(=O)c3nccnc3C(N)=O)[C@H]2C1 962513259 RVUCYTZMHBRVRU-UWVGGRQHSA-N 301.350 -0.188 30 20 DBED C=CCN1C[C@@H]2C(NC(=O)c3cn(CC(=O)N(C)C)nn3)[C@H]2C1 962813269 OOSCMFMLSBFHJM-QWRGUYRKSA-N 318.381 -0.788 30 20 DBED C[C@H](C#N)C(=O)N1CC2(C[C@@H](NC(=O)c3cnco3)CO2)C1 965760139 WCWPCHYCUDGXBV-NXEZZACHSA-N 304.306 -0.066 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H](NC(=O)[C@H]2CCCC(=O)N2)C1 965990819 XLBXKZKIPJKEDI-QJPTWQEYSA-N 306.366 -0.078 30 20 DBED C=CCCN1CCO[C@@]2(CCN(C(=O)[C@H]3COC(=O)N3)C2)C1 972357510 LBKSHNGTPTYUHQ-DOMZBBRYSA-N 309.366 -0.026 30 20 DBED C=C1CC(C)(C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3CNC(=O)N3)C2)C1 973531766 MUPXLSLXZXAOPF-GMTAPVOTSA-N 306.366 -0.213 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H](CNC(=O)c2nnn(C)n2)C1 975457910 MCGZTZCEDKDZQB-ZJUUUORDSA-N 305.342 -0.662 30 20 DBED CC(=O)N1CCOC[C@H]1C(=O)N[C@@H]1CN(CC#N)CC1(C)C 977612383 HGDUICNDZCBOQO-QWHCGFSZSA-N 308.382 -0.416 30 20 DBED N#Cc1c[nH]c(C(=O)NC2CN(C(=O)[C@]3(F)CCOC3)C2)c1 990723848 SAONURAQSLKQJX-AWEZNQCLSA-N 306.297 -0.044 30 20 DBED C#CCN1CC[C@@]2(NC(=O)CN3CC(=O)N(C)C3=O)CCC[C@@H]12 992396130 LCTQNMLYNFVTOU-WBMJQRKESA-N 318.377 -0.373 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)C[C@@H]2CCS(=O)(=O)C2)C1 995060456 INLMWMLBCUEZNA-UWVGGRQHSA-N 313.379 -0.702 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CCC(N(C)C(=O)C(N)=O)CC1 1004209395 DMHUWZNGWAWGKS-TUUUFIMRSA-N 323.393 -0.051 30 20 DBED COCC(=O)N1C[C@H]2C(CNC(=O)c3c[nH]c(C#N)c3)[C@@H]2C1 1008984625 ZMHCHPJVEKLHNR-STQMWFEESA-N 302.334 -0.033 30 20 DBED CC(=O)N1CC(C(=O)N[C@@H]2CCN(C(=O)C#CC3CC3)[C@H]2C)C1 1011739895 WCOUSODBZCBXNW-XHDPSFHLSA-N 317.389 -0.016 30 20 DBED C[C@H](C(=O)NC1[C@H]2CN(C(=O)C#CC3CC3)C[C@H]12)n1cncn1 1012977610 NMLGEFIFPHLSEZ-WXHSDQCUSA-N 313.361 -0.175 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(C1)CN(C(=O)[C@]1(C)CNC(=O)C1)C2 1019199693 CVJFEXDHUNBGJK-NHYWBVRUSA-N 318.377 -0.267 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(CN(C(=O)c3c[nH]c(=O)cn3)C2)C1 1019343438 KURSVNVSSBSDSU-JTQLQIEISA-N 315.333 -0.396 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CC3(F)F)C[C@H]2O)c1 1023327712 RWWBRKAPSMEOQZ-JMJZKYOTSA-N 324.287 -0.157 30 20 DBED N#CCN1CCCC[C@H]1CNC(=O)c1cc(=O)n2[nH]cnc2n1 1024759779 JYVUPHJUAVQDCQ-JTQLQIEISA-N 315.337 -0.475 30 20 DBED C#CCN[C@@H]1CC[C@H]2CN(C(=O)CN3CCCNC3=O)C[C@@H]21 1026301835 FKTSZUKKAFTPTQ-MELADBBJSA-N 304.394 -0.139 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCC1CN(Cc2cnon2)C1 1031741280 VHTFZVHQXIPOPO-AWEZNQCLSA-N 303.366 -0.285 30 20 DBED COCCn1cc(C(=O)NCC2CN(CC#N)C2)ccc1=O 1031809924 VDUSNUYBXRFKKS-UHFFFAOYSA-N 304.350 -0.320 30 20 DBED C#CCCN1CC2(CCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)CC2)C1 1035808206 RGQFYJGGPZXYFS-LBPRGKRZSA-N 318.377 -0.468 30 20 DBED C#CCN[C@H]1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)C[C@@H]1C 1036203021 MPBFPOQVQSRQIL-AAEUAGOBSA-N 318.377 -0.843 30 20 DBED C#CCCCC(=O)NC[C@]1(O)CCN(C(=O)[C@@H](C)NC(C)=O)C1 1039568131 ALVKAZNUYUNZPD-MLGOLLRUSA-N 323.393 -0.606 30 20 DBED CC(C)C#CC(=O)NC[C@]1(O)CCN(C(=O)C(C)(C)C(N)=O)C1 1039668488 XELKHVGYCNNPIE-MRXNPFEDSA-N 323.393 -0.763 30 20 DBED C=C(C)CCC(=O)N1CC[C@](O)(CNC(=O)Cn2nccn2)C1 1039825485 PGLYSNOOXZPRNP-HNNXBMFYSA-N 321.381 -0.286 30 20 DBED CCCN(C)CCC(=O)NC[C@]1(O)CCN(C(=O)[C@@H](C)C#N)C1 1040447310 QBPRWUXKXUQWKM-XJKSGUPXSA-N 324.425 -0.042 30 20 DBED N#Cc1cncc(N2C[C@@H]3CCN(C(=O)c4cnn[nH]4)[C@@H]3C2)n1 1040883648 BYKYJVTXSNJJRK-JOYOIKCWSA-N 310.321 -0.183 30 20 DBED N#CCSCC(=O)NCC1(O)CN(C(=O)Cc2ccc[nH]2)C1 1041575547 XSVFLJRLNQJMEN-UHFFFAOYSA-N 322.390 -0.497 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)[C@H](CC)OC)C1 1041904812 LMOODLCDCBLRHT-NSHDSACASA-N 300.355 -0.697 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H](C)CO2)C1 1042039944 MIOHTQOVAOQPDT-RYUDHWBXSA-N 312.366 -0.697 30 20 DBED C#CCCN1CC[C@@H]2CCN(C(=O)Cn3c(O)nnc3O)C[C@@H]21 1042333132 ZLGPARZWNJMDJI-NEPJUHHUSA-N 319.365 -0.365 30 20 DBED C#CCCCCC(=O)N1CC(O)(CNC(=O)CC(=O)NCC)C1 1042674881 SBTLPPMORFOFBS-UHFFFAOYSA-N 323.393 -0.604 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)COCCC)C1 1043039200 DHOHVSXTGWFNKW-LBPRGKRZSA-N 312.366 -0.859 30 20 DBED C[C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1Nc1cncc(C#N)n1 1043076417 HUBBYIHBPQXUFP-MWLCHTKSSA-N 313.325 -0.706 30 20 DBED C=CC(C)(C)CC(=O)N1CC(O)(CNC(=O)c2nnn(C)n2)C1 1044935861 ZAHYWDSMETVYGC-UHFFFAOYSA-N 322.369 -0.885 30 20 DBED CCCn1cc(C(=O)N2CC(O)(CNC(=O)[C@@H](C)C#N)C2)cn1 1045555181 OCYVCTMXACVHRU-NSHDSACASA-N 319.365 -0.244 30 20 DBED N#CCN1CC[C@H](N2CCN(C(=O)[C@@H]3CCNC(=O)C3)CC2)C1 1046020399 SCGAMTOKRQKUQD-KGLIPLIRSA-N 319.409 -0.745 30 20 DBED C[C@H](C(N)=O)N1CC[C@H](N2CCN(C(=O)C#CC3CC3)CC2)C1 1046027149 IMODSQVHDVPURG-HIFRSBDPSA-N 318.421 -0.508 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCC1(O)CN(C(=O)CCOC)C1 1046820625 QZVBQMJVDVOAPA-NEPJUHHUSA-N 312.366 -0.697 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2C)C1 1046823981 KURQSQSYKRYYNM-LPWJVIDDSA-N 308.378 -0.077 30 20 DBED Cn1nnc(C(=O)NC[C@H]2C[C@H](Nc3cnc(C#N)cn3)C2)n1 1046992234 YBARKBVIHZUTLX-KYZUINATSA-N 313.325 -0.508 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCNC(=O)C2)C1 1047345494 PKIGKKUQBFPSQY-WOPDTQHZSA-N 315.801 -0.231 30 20 DBED C=CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccn3nnnc3c2)C1 1047482691 GSYIHLINPPJLLQ-STQMWFEESA-N 316.365 -0.183 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2COc3ccccc3O2)C1 1047618559 GSCXXKUDWOCNFI-HEHGZKQESA-N 316.357 -0.037 30 20 DBED C=C1CC(C)(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)CC(N)=O)C2)C1 1048607913 BDHZGPPRTWWHER-QWRGUYRKSA-N 309.366 -0.752 30 20 DBED C#CCNC(=O)CC(=O)N(C)[C@H]1CN(C(=O)C(C)(C)C)C[C@@H]1O 1048714858 PBXSKOGNEIBTEJ-RYUDHWBXSA-N 323.393 -0.798 30 20 DBED C=C(C)CN1C[C@H]2CN(C(=O)CN3CCC(=O)NC3=O)C[C@H]2C1 1049154715 MCDGRRZIDFAJDH-BETUJISGSA-N 320.393 -0.105 30 20 DBED C#CCCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1nnc(O)nc1O 1049572820 OLGHOQBEIHYSRU-QWRGUYRKSA-N 317.349 -0.015 30 20 DBED N#Cc1nccc(N2C[C@H](n3ccnn3)[C@H](NC(=O)C3CC3)C2)n1 1051396567 SBKMNUMCNIDARS-NEPJUHHUSA-N 324.348 -0.104 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H](CNCc2nc(N(C)C)no2)C1 1051494325 HRMQJONPSWTXMC-QWRGUYRKSA-N 322.369 -0.388 30 20 DBED C#CCN1CCN([C@H]2CCN(C(=O)Cc3cnc[nH]3)C2)CC1 1052092082 QWDLCULQVGSGQS-HNNXBMFYSA-N 301.394 -0.196 30 20 DBED CN1C(=O)CC[C@@H]1C(=O)NC[C@H]1CCC2(CN(CC#N)C2)O1 1053649405 LDICQWXLFIQHKJ-VXGBXAGGSA-N 306.366 -0.520 30 20 DBED CC(C)N1C[C@H](C(=O)N[C@H]2COC3(C2)CN(CC#N)C3)CC1=O 1053818577 ONMVETKMXDMDSC-CHWSQXEVSA-N 320.393 -0.274 30 20 DBED C[C@H](C#N)C(=O)NC1CCN(CCNC(=O)c2cc[nH]n2)CC1 1055527689 YXJKNQRDHMZDCP-LLVKDONJSA-N 318.381 -0.120 30 20 DBED Cn1oc(C(=O)N2CCN(c3cncc(C#N)n3)CC2)cc1=O 1055781564 XIHFTQFOGAYNFB-UHFFFAOYSA-N 314.305 -0.398 30 20 DBED CN(c1nccnc1C#N)[C@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1 1056872903 BRAKDNNYVSLLFN-WDEREUQCSA-N 314.349 -0.336 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)[C@@H](C)n1cncn1 1057384157 TYFYYCNYVMNAEW-CYBMUJFWSA-N 321.381 -0.564 30 20 DBED N#Cc1cccnc1N1CC[C@H](NC(=O)Cn2cnnc2O)C1 1058320465 CQIKKVRSQMCXDX-NSHDSACASA-N 313.321 -0.355 30 20 DBED CCn1ncc(C(=O)N[C@H]2CCN(c3nccnc3C#N)C2)n1 1058353353 DRFLUCARVNSPAE-JTQLQIEISA-N 312.337 -0.032 30 20 DBED C#CCNC(=O)CC(=O)NCCN(CCO)C(=O)C[C@@H]1C[C@H]1C 1058720082 PXRSLCOXXUDXCW-OLZOCXBDSA-N 323.393 -0.891 30 20 DBED C[C@@]1(C(=O)N(CCO)CCNC(=O)C#CC2CC2)CCC(=O)N1 1058749036 BEAUGINYRZVHKN-INIZCTEOSA-N 321.377 -0.994 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)c1ccc(O)nc1 1058808472 MEOZTBUJYLIJBV-UHFFFAOYSA-N 323.349 -0.460 30 20 DBED Cc1ccn(CC(=O)N(CCO)CCNC(=O)C#CC2CC2)n1 1058864126 GPVLNJNJVOEKPE-UHFFFAOYSA-N 318.377 -0.458 30 20 DBED COC(=O)NCC(=O)N1CC[C@@H](CCNC(=O)[C@@H](C)C#N)C1 1059241542 SOTUXZQYTKQJMR-WDEREUQCSA-N 310.354 -0.143 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@@H]1CCN(C(=O)[C@@H](C)OC)C1 1059260300 VVNVUGIVFCUXMX-CHWSQXEVSA-N 323.393 -0.484 30 20 DBED C=CCOCC(=O)N1CC[C@@H](CCNC(=O)[C@@H]2CCNC2=O)C1 1059337614 MAQSKUIREUDKTN-OLZOCXBDSA-N 323.393 -0.320 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H]1CC[C@H](CNC(=O)CC(N)=O)CC1 1060732420 ITBJDGRGWYDJLJ-AVGNSLFASA-N 323.393 -0.309 30 20 DBED C=CCOCC(=O)NC[C@@H]1COCCN1C(=O)c1nonc1C 1061419203 IIIDXDYAQFYXIN-LLVKDONJSA-N 324.337 -0.462 30 20 DBED CNC(=O)CC(=O)NC[C@@H]1COCCN1C(=O)C#CC(C)C 1061528634 ZHNXSPZBJCVHAQ-GFCCVEGCSA-N 309.366 -0.875 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(NC(=O)[C@H]2COCCO2)CCC1 1063041600 ADZAJUBKBQSRPQ-CHWSQXEVSA-N 324.377 -0.405 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CN(C(=O)c2cc[n+]([O-])cc2)CCO1 1064807772 FGYUTULVDCJXEN-AAEUAGOBSA-N 318.333 -0.563 30 20 DBED CS(=O)(=O)CC(=O)N1CCC[C@H]1CNc1nccnc1C#N 1064871252 PJOBZBYUTKDQNZ-JTQLQIEISA-N 323.378 -0.204 30 20 DBED C=CCCC(=O)N1CCO[C@H](CNC(=O)c2cn(C)nn2)C1 1064956093 QZJQGNFNQYPUIE-LLVKDONJSA-N 307.354 -0.262 30 20 DBED C=C(C)CCC(=O)NC[C@H]1CN(C(=O)Cn2ncnn2)CCO1 1065182965 OFORHGBXTJBSRM-LBPRGKRZSA-N 322.369 -0.627 30 20 DBED N#Cc1cncc(NCC2CC(NC(=O)Cn3nccn3)C2)n1 1067868506 JUTFLWXNRVFBQU-UHFFFAOYSA-N 312.337 -0.053 30 20 DBED Cn1nnc(C(=O)NCC2[C@H]3CN(c4ccc(C#N)cn4)C[C@H]23)n1 1068193290 YFGUYDVZHRIFMR-VXGBXAGGSA-N 324.348 -0.411 30 20 DBED C=CC(C)(C)CC(=O)N[C@H]1COC2(C1)CN(C(=O)CC(N)=O)C2 1068880337 VHMSOXZIJAKEOL-LLVKDONJSA-N 323.393 -0.050 30 20 DBED C[C@H]1[C@H](N=c2cc[nH]c(C#N)n2)CCN1C(=O)Cn1nccn1 1068904174 UQGHICUXGJDQCK-WDEREUQCSA-N 312.337 -0.537 30 20 DBED C=CC(C)(C)C(=O)N[C@H]1COC2(C1)CN(C(=O)CNC(N)=O)C2 1068944577 ISYZQDLSMGIAQZ-SNVBAGLBSA-N 324.381 -0.647 30 20 DBED N#CCN[C@@H]1CN(C(=O)C[C@@H]2CCOC2)C[C@@H]1n1ccnn1 1070171829 LAAPFBJQPBKRJQ-XQQFMLRXSA-N 304.354 -0.430 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)[C@H]2CCOC2)CCOCC1 1070231091 MQALSZTVZGOBRG-RYUDHWBXSA-N 309.366 -0.036 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)c2cnn(C)n2)CC1 1071008112 JGLOFRAVHGYHAE-UHFFFAOYSA-N 306.370 -0.735 30 20 DBED C=C[C@](C)(CCOC)C(=O)N[C@@H]1CCCN(C(=O)C(N)=O)C1 1071222114 FOTCISKHFPQIOF-IAQYHMDHSA-N 311.382 -0.192 30 20 DBED C=CCN1CC[C@@]2(C1)CN(C(=O)CCn1cnnn1)C[C@H](C)O2 1071222810 HGZCMYUMUYHIDT-DZGCQCFKSA-N 320.397 -0.059 30 20 DBED C=CCOCC(=O)N1C[C@H](C)[C@@H](NC(=O)COCCOC)C1 1071807986 DFTMUDXGACVULH-STQMWFEESA-N 314.382 -0.185 30 20 DBED C=C(C)CCC(=O)N1CC(N2CCN(C(=O)CC(N)=O)CC2)C1 1073555914 RKFVIOURBOQJFD-UHFFFAOYSA-N 322.409 -0.427 30 20 DBED N#CCN1CCCO[C@@H](CNC(=O)[C@@H]2CCCS2(=O)=O)C1 1073896014 IYXFHIRTQGYZJR-RYUDHWBXSA-N 315.395 -0.706 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)c2cn(C)c(=O)n2C)C1 1073904089 BJHZWHNINRZHDN-LBPRGKRZSA-N 306.366 -0.822 30 20 DBED C=CCN1CCO[C@H]2CCN(C(=O)CN3CC(=O)NC3=O)C[C@H]21 1074360949 UMXNVYHHLMURGT-NEPJUHHUSA-N 322.365 -0.974 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CCN(C(=O)C2=COCCO2)CC1 1074449526 CNDCUTUXSNNBEA-NSHDSACASA-N 323.349 -0.496 30 20 DBED C=CCCC(=O)N1CCC(O)(CNC(=O)c2cnnn2C)CC1 1074510967 XAZPLMQPIYQBLO-UHFFFAOYSA-N 321.381 -0.135 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CCN(C(=O)[C@H]2CCCN2C)CC1 1074518897 WKKSVTPCULSFBO-CHWSQXEVSA-N 322.409 -0.290 30 20 DBED C#CCCCC(=O)N[C@H]1CCN(C(=O)Cn2ncnn2)[C@@H](C)C1 1074962730 CETZDFRZPIQRRO-STQMWFEESA-N 318.381 -0.028 30 20 DBED C[C@@H](CCNC(=O)Cn1cnnn1)NC(=O)c1c[nH]c(C#N)c1 1075560823 JCBUXEFRNJHXND-VIFPVBQESA-N 316.325 -0.802 30 20 DBED C[C@@H](CCNC(=O)C#CC1CC1)NC(=O)[C@@H]1CCCNC1=O 1076430268 YRGKHUMEYMQHHK-WCQYABFASA-N 305.378 -0.063 30 20 DBED C[C@@H](CCNC(=O)[C@@H](C)S(C)(=O)=O)NC(=O)C#CC1CC1 1077262292 GGRKZBHHJZNFNA-WDEREUQCSA-N 314.407 -0.156 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)c2ccc(C(N)=O)[nH]2)C1 1077689670 ZCSJJXMPFVHRJW-CHWSQXEVSA-N 306.366 -0.145 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2[nH]nnc2-c2ccccc2)C1 1078238636 JIWYAHLIWBLODP-VXGBXAGGSA-N 312.333 -0.230 30 20 DBED Cn1ncc(CNC[C@H]2CN(C(=O)C#CC3CC3)CCCO2)n1 1078397946 IIPGTSLGEAXBES-HNNXBMFYSA-N 317.393 -0.064 30 20 DBED CC(C)C#CC(=O)N1CCC(CO)(NC(=O)c2cnon2)CC1 1080963460 ZJIGABSHYUERTI-UHFFFAOYSA-N 320.349 -0.188 30 20 DBED N#CCSCC(=O)NC[C@H]1CN(C(=O)c2cc[nH]n2)C[C@H]1O 1081286315 JXFXPZSFDRHPMR-GXSJLCMTSA-N 323.378 -0.784 30 20 DBED Cc1nonc1C(=O)N1C[C@@H](O)[C@H](CNC(=O)C#CC(C)C)C1 1081463234 KQIZDRVQUFSVEW-VXGBXAGGSA-N 320.349 -0.413 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2ccn(C)n2)C1 1081497069 RZWDYKYCSJACGC-DGCLKSJQSA-N 306.366 -0.065 30 20 DBED C#CCN1CCC(C(=O)N[C@@H]2CN(CCO)C[C@H]2OC)CC1 1082383250 OEWZUAXDHVAXFN-HUUCEWRRSA-N 309.410 -0.861 30 20 DBED C=CCN[C@@H]1CN(C(=O)[C@@H]2CCN(C)S2(=O)=O)C[C@H]1C 1082798266 KNVMOAAGPVEGJH-UTUOFQBUSA-N 301.412 -0.357 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2c(NC(C)=O)c[nH]c2C)C1 1083587094 CRRIFCUIYZUIPM-OLZOCXBDSA-N 304.350 -0.310 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2ccc3c(c2)CCC(=O)N3)C1 1083624273 ZOJPABPVYJNOAB-CABCVRRESA-N 313.357 -0.021 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)[C@@]2(C)CCCS2(=O)=O)C1 1083854383 PBZHARGQYFKBII-MBNYWOFBSA-N 316.423 -0.309 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)C[C@H]2CCCCN2C(C)=O)C1 1083854613 BJJDZEDYVUPILI-KFWWJZLASA-N 307.394 -0.428 30 20 DBED CCCC(=O)N1CCC(C(=O)N[C@@H]2CN(CC#N)C[C@@H]2O)CC1 1084081093 IVCVKMHTLFZIQQ-KGLIPLIRSA-N 322.409 -0.290 30 20 DBED N#CCN1CC[C@@H]2CN(C(=O)[C@H]3CCc4nnc(O)n4C3)[C@@H]2C1 1084464161 XJZHDMIZOFWCCX-GRYCIOLGSA-N 316.365 -0.398 30 20 DBED N#CCN1C[C@@H](NC(=O)Cn2cnnn2)[C@H](c2ccccc2)C1 1086573761 LGQSZDLTGGIPAY-UONOGXRCSA-N 311.349 -0.219 30 20 DBED C=CCN[C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1c1cnn(C)c1 1086965925 CNKBQQGPWHLDCH-QWHCGFSZSA-N 316.369 -0.823 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2ccc3nn[nH]c3n2)[C@@H](O)C1 1090310068 KEPZYCUKEZQNGR-KCJUWKMLSA-N 301.310 -0.959 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(c2cc(C)nc(OC)n2)C[C@H]1O 1090391686 JHMUMZBOYCHFDB-VXGBXAGGSA-N 322.365 -0.338 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2cnc3nccn3c2)[C@@H](O)C1 1090430498 MQHDEHODPCKBPY-KBPBESRZSA-N 313.361 -0.082 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)c2cc(C(N)=O)c[nH]2)[C@H](O)C1 1090675238 HMPZNLAZDKILIR-WCQYABFASA-N 306.366 -0.145 30 20 DBED N#CCN1CC[C@H](NC(=O)c2cccc(NC(N)=O)c2)[C@@H](O)C1 1090797934 IPSFOIPKPHWXKZ-STQMWFEESA-N 317.349 -0.134 30 20 DBED COCCOCC(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@@H]1O 1091078942 GWIRLECYSOPCSK-OCCSQVGLSA-N 320.349 -0.718 30 20 DBED CS(=O)(=O)CC(=O)NC[C@H]1C[C@@H](Nc2cncc(C#N)n2)C1 1091318503 ZGAPUJDRWRNCDZ-AOOOYVTPSA-N 323.378 -0.300 30 20 DBED COCC(=O)N[C@H]1CCN(c2cc(C)ncc2C#N)C[C@H]1O 1092125484 DNNBQTCJBYLGKQ-GXTWGEPZSA-N 304.350 -0.036 30 20 DBED C[C@@H](C#N)C(=O)NCC1CC(Nc2ccc3nnnn3n2)C1 1092205458 BJAXZVJGLOVCMN-IDKOKCKLSA-N 300.326 -0.014 30 20 DBED N#Cc1nccc(N2CCN(C(=O)C(=O)NCC3CC3)CC2)n1 1093169699 LLCVMLJADDELBK-UHFFFAOYSA-N 314.349 -0.477 30 20 DBED CCc1nc(C#N)cc(NCCNC(=O)c2ncn(C)n2)n1 1093591318 RSOWODSFOVONRB-UHFFFAOYSA-N 300.326 -0.119 30 20 DBED Cc1nc(NCCNC(=O)CN2C(=O)CCC2=O)ccc1C#N 1093626076 WXDFRWGNDNVJMV-UHFFFAOYSA-N 315.333 -0.061 30 20 DBED CCC[C@@H](NC(N)=O)C(=O)NCCN=c1cc[nH]c(C#N)n1 1093775954 PAGFWPPDGGWTOT-SECBINFHSA-N 305.342 -0.865 30 20 DBED CCc1nc(C#N)cc(NCCNC(=O)CCn2cnnn2)n1 1093823533 HXNZCAOLIWXBJH-UHFFFAOYSA-N 315.341 -0.484 30 20 DBED CO[C@@H](C(=O)NCCNc1cncc(C#N)n1)c1cnn(C)c1 1094011406 HKHUHBIGJWOHLS-CYBMUJFWSA-N 315.337 -0.002 30 20 DBED N#Cc1c[nH]ccc1=NCCCNC(=O)CN1CCCC1=O 1094314379 CXWKKZXPBCIPKQ-UHFFFAOYSA-N 301.350 -0.084 30 20 DBED C[C@@H]1CN(C)C[C@@H]1C(=O)NCc1cn(C2CN(CC#N)C2)nn1 1094315923 CULKSGHXHAIPKU-RISCZKNCSA-N 317.397 -0.528 30 20 DBED C#CCNC(=O)CC(=O)NCCCNc1nccc(OC)n1 1094372025 ZXEJFSXNSVFRNQ-UHFFFAOYSA-N 305.338 -0.457 30 20 DBED CC#CCN1CCN(C(=O)c2cc[nH]n2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094611346 FBIMNRYFTYWHFP-QWHCGFSZSA-N 322.390 -0.644 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)C3CCOCC3)CC2=O)C1 1094693099 LPWZNTFOPGZVAG-ZDUSSCGKSA-N 305.378 -0.553 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)c3cc(C#N)c[nH]3)CC2=O)C1 1094720802 QOXGDMVAALKZGT-LBPRGKRZSA-N 311.345 -0.466 30 20 DBED CN(C)C(=O)CC(=O)NC1CCN(c2nccnc2C#N)CC1 1095449844 QGEUUGJZUFYPJU-UHFFFAOYSA-N 316.365 -0.088 30 20 DBED CCC(=O)N[C@H](C)C(=O)N[C@@H]1CCN(c2cnc(C#N)cn2)C1 1096495813 STSHGYMJWVBYOP-GHMZBOCLSA-N 316.365 -0.042 30 20 DBED N#Cc1nccnc1N[C@@H](CNC(=O)C1(C(N)=O)CC1)C1CC1 1096795971 XEKYJPLDXJFAJN-NSHDSACASA-N 314.349 -0.080 30 20 DBED CNC(=O)CC(=O)NC[C@H]1CCCCN1c1ccnc(C#N)n1 1097421816 VAZJVRQUZRJLMK-LLVKDONJSA-N 316.365 -0.041 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@H](C)Nc1nccn2nnnc12 1097794070 JCEZPTXGUTURHL-NOZJJQNGSA-N 305.342 -0.237 30 20 DBED C[C@H](CNC(=O)C[C@H]1CC(=O)NC1=O)Nc1ccc(C#N)nn1 1097943490 FYPAQMGFSGPNNC-BDAKNGLRSA-N 316.321 -0.682 30 20 DBED C[C@@H]1CCN(C(=O)C(=O)N2CCC(N(CC#N)CCO)CC2)C1 1098529237 YVYIJBBRNRHQIT-CYBMUJFWSA-N 322.409 -0.336 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)c2cnccn2)[C@H](O)C1 1099626882 GLXBDCFOPZSCRF-TZMCWYRMSA-N 306.366 -0.156 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)c2cc(C)no2)[C@@H](O)C1 1099668063 AYGREALFWUYDHP-NEPJUHHUSA-N 322.365 -0.550 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(Cc2cn(CC)nn2)C[C@H]1O 1099738096 IMCKAHSGUUXMLC-UONOGXRCSA-N 323.397 -0.448 30 20 DBED CCN(C)C(=O)CN1CC[C@H](NC(=O)C#CC(C)C)[C@H](O)C1 1099821236 SCMKRINNMLXXTP-UONOGXRCSA-N 309.410 -0.325 30 20 DBED Cc1c(C(=O)NCCN(C)c2nccnc2C#N)nnn1C 1099975291 ZEGZTXURVNVXQL-UHFFFAOYSA-N 300.326 -0.349 30 20 DBED C#CCOCCC(=O)NCC1CC(NCc2nncn2C)C1 1100325023 PJBUMYHICYFJGX-UHFFFAOYSA-N 305.382 -0.161 30 20 DBED C[C@H]1CC(=O)N[C@@H](C(=O)NCCN(C)c2ccc(C#N)nn2)C1 1100363535 KGAIPSRAUGPSIR-ZYHUDNBSSA-N 316.365 -0.185 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)c2cncnc2O)C1 1100430492 AKKDOUCMHSVHLB-UHFFFAOYSA-N 317.349 -0.970 30 20 DBED CCN(CCNC(=O)[C@H]1COC(=O)N1)c1cnc(C#N)cn1 1100511074 LKVQKICGDMEBDW-SNVBAGLBSA-N 304.310 -0.601 30 20 DBED N#Cc1ccc(N2CCC[C@H]2CNC(=O)Cn2cnnn2)cn1 1100776462 JCMVFWRDKUHRHC-LBPRGKRZSA-N 312.337 -0.275 30 20 DBED CN(C)C(=O)CC(=O)NC[C@@H]1CCCN1c1ccc(C#N)nn1 1100913451 IXNBGODBUHUMLK-LBPRGKRZSA-N 316.365 -0.088 30 20 DBED CN(CCNc1ccc(C#N)nn1)C(=O)CN1CCCC1=O 1101495333 GDLNFGTWBSVQOK-UHFFFAOYSA-N 302.338 -0.159 30 20 DBED CN(CCN=c1cc[nH]cc1C#N)C(=O)c1cc(=O)n(C)o1 1101562834 BKCHGLLZOHQOJO-UHFFFAOYSA-N 301.306 -0.149 30 20 DBED COCC(=O)N[C@@H](C)C(=O)N(C)CCNc1cncc(C#N)n1 1102008368 OQZZSGSFEZQAKF-JTQLQIEISA-N 320.353 -0.630 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@H](O)C(C)C)C1 1102940856 MNOVWDXOCCIKFT-IIAWOOMASA-N 323.437 -0.173 30 20 DBED CC[C@@H](CNC(=O)[C@@H]1CN(C)CCO1)Nc1nccnc1C#N 1103031417 YCWLAQAMSJDUHG-AAEUAGOBSA-N 318.381 -0.014 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H](CC)Nc1ccc(C#N)nn1 1103039921 YFUNZJFCTWCQAB-LLVKDONJSA-N 314.349 -0.206 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)Cc1cncn1C 1104022917 NZPQPGJLESSXQN-NSHDSACASA-N 313.365 -0.089 30 20 DBED COCC#CCNCC[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)C[C@H]1C 1104602527 BANZFJVZBCLHKN-MGPQQGTHSA-N 322.409 -0.608 30 20 DBED CC(C)[C@H](CNC(=O)CNC(N)=O)Nc1cncc(C#N)n1 1105106644 ZUSHSHYPRJDIEX-JTQLQIEISA-N 305.342 -0.431 30 20 DBED C#CCCNCc1cn(C2CN(C(=O)CC(=O)NCC)C2)nn1 1105219644 JHXKQOUQHIAZEQ-UHFFFAOYSA-N 318.381 -0.700 30 20 DBED CCC(=O)N[C@@H](C)C(=O)N1CC(n2cc(CNCC#N)nn2)C1 1105246808 IBQNTTCSTHEUIM-JTQLQIEISA-N 319.369 -0.811 30 20 DBED CCCSCC(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1 1105725734 RYKYHSVHPCSSGA-JTQLQIEISA-N 309.395 -0.198 30 20 DBED N#Cc1nc(=NC[C@@H](O)CNC(=O)CC[C@@H]2CCCO2)cc[nH]1 1105778075 LOZJHQZZSISCLS-NEPJUHHUSA-N 319.365 -0.382 30 20 DBED Cc1cc(C#N)nc(NC[C@H](O)CNC(=O)c2n[nH]cc2C)n1 1105825296 ASCFGZQRCSNXGD-LLVKDONJSA-N 315.337 -0.109 30 20 DBED C#Cc1ccc(C(=O)NC[C@H](O)CN=c2cc[nH]c(C#N)n2)cc1 1106035989 PZYLOCQWMWWLSY-CQSZACIVSA-N 321.340 -0.046 30 20 DBED C=CCNC[C@@H]1CN(C(=O)CNS(=O)(=O)CC)C[C@H]1C 1106204269 NOPRZYIJHDIFJB-VXGBXAGGSA-N 303.428 -0.204 30 20 DBED C[C@H](CCNc1ccc(C#N)nc1)NC(=O)Cn1ncnn1 1106454991 XCRWCHZTEJWNKL-SNVBAGLBSA-N 300.326 -0.053 30 20 DBED CNC(=O)NCCC(=O)NC/C=C/CN=c1cc[nH]cc1C#N 1107151087 GDCIJNZBRLORNF-NSCUHMNNSA-N 316.365 -0.221 30 20 DBED C#CCCN1CC(n2cc(CNC(=O)[C@@H](C)OCC#C)nn2)C1 1107169865 XDJRETDBILZZSI-CYBMUJFWSA-N 315.377 -0.187 30 20 DBED CC#CCN1CCO[C@](C)(CNC(=O)[C@H]2COCCN2C)C1 1107882743 BLDGKKIPJSCPLS-GDBMZVCRSA-N 309.410 -0.453 30 20 DBED COCC(=O)N[C@H](C)C(=O)N[C@H](C)CN=c1cc[nH]cc1C#N 1108174363 VIDIRNOEJHRSSC-GHMZBOCLSA-N 319.365 -0.557 30 20 DBED C[C@@H](CN(C)c1cncc(C#N)n1)NC(=O)[C@H]1COC(=O)N1 1108926699 IUKMWGLKOWLSFJ-WCBMZHEXSA-N 304.310 -0.602 30 20 DBED N#Cc1cnccc1N1C[C@H]2C[C@H]1[C@H]2NC(=O)CNC(N)=O 1109680058 UQRGHEOHLRFFMJ-WLTAIBSBSA-N 300.322 -0.685 30 20 DBED N#Cc1cncc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)CCc2nc[nH]n2)n1 1109692591 AVXPMEDKLNADMT-BPYAMOTFSA-N 324.348 -0.208 30 20 DBED C[C@@H](NS(C)(=O)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC#N 1109760668 LUHCATQHIGQMSX-ZNSHCXBVSA-N 300.384 -0.831 30 20 DBED CNC(=O)CC(=O)N[C@H](CN=c1cc[nH]c(C#N)n1)C1CC1 1109841295 AZXPTFDBLOISMK-SNVBAGLBSA-N 302.338 -0.787 30 20 DBED CO[C@@H](C)CC(=O)NC[C@]1(O)CCN(c2ccnc(C#N)n2)C1 1111045612 OSVKYOZLUDYQNG-XHDPSFHLSA-N 319.365 -0.169 30 20 DBED CC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H](C)NS(C)(=O)=O 1111067280 FJTSZXQFABMESA-LPWJVIDDSA-N 313.423 -0.331 30 20 DBED CNC(=O)NC(=O)[C@@H](C)N1CCN(C(=O)C#CC2CC2)CC1 1112832429 WQKAEFBCMVQOBU-LLVKDONJSA-N 306.366 -0.612 30 20 DBED COC(=O)NCC(=O)N[C@H](C)[C@@H](C)N=c1cc[nH]c(C#N)n1 1112915805 CSRHGZIMHNRFLA-RKDXNWHRSA-N 306.326 -0.569 30 20 DBED C[C@H](CNC(=O)CC(=O)N(C)C)N(C)c1ccc(C#N)nn1 1113917328 TVXIYVKSABMOFF-SNVBAGLBSA-N 304.354 -0.233 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@@H]2CN(C[C@H]3CCCCO3)C[C@@H]12 1114160527 ZQENWIMPGGBZGQ-MGPQQGTHSA-N 319.405 -0.259 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)c3cnnn3C)[C@@H]2C1 1114203869 KXUSHHYFQKZJSM-HBNTYKKESA-N 318.381 -0.834 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)[C@@]34CCC[C@@H]3C4)[C@H]2C1 1114596892 FSTNIIPCBGPJND-ZOPJHEKZSA-N 301.390 -0.028 30 20 DBED COCC#CCN1C[C@@H]2C(NC(=O)C3(C(=O)N(C)C)CC3)[C@H]2C1 1115105792 LYFDHTNLAAADQF-STQMWFEESA-N 319.405 -0.449 30 20 DBED CCCCS(=O)(=O)NCC(=O)NC1[C@@H]2CN(CC#N)C[C@@H]12 1115180105 LOEACOWRBQXFIV-GHMZBOCLSA-N 314.411 -0.724 30 20 DBED CC(C)N1C[C@@H](NC(=O)C(=O)NCC2(CC#N)CC2)CC1=O 1117223007 OTVHHEQZTHZFIX-NSHDSACASA-N 306.366 -0.078 30 20 DBED CC(C)(C)NC(=O)CCNC(=O)C(=O)N1CC[C@](F)(C#N)C1 1117262241 QVSDSZWEZQOECN-AWEZNQCLSA-N 312.345 -0.128 30 20 DBED CC(C)[C@@]1(CO)CCN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)C1 1118189461 PQEWWNGDPLHZNV-JKSUJKDBSA-N 323.393 -0.270 30 20 DBED C=C(C)C[C@H](NC(=O)[C@@H](C)N1CCNCC1=O)C(=O)OCC 1119309090 VATPKBYHTLNWJU-NEPJUHHUSA-N 311.382 -0.179 30 20 DBED CCn1cc(C(=O)NC[C@@H](CO)Nc2nccnc2C#N)cn1 1121228951 PUGRBVCFXSKEHN-NSHDSACASA-N 315.337 -0.233 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)[C@@H]2[C@H]3COC[C@H]32)nc1 1122373227 YWCUMONRIABYQS-NMKXLXIOSA-N 302.334 -0.265 30 20 DBED C#Cc1cncc(C(=O)NC[C@@H](CO)Nc2ccc(C#N)nn2)c1 1122508994 VRXXDEKKRVGYCX-AWEZNQCLSA-N 322.328 -0.073 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)c2c[nH]c(=O)cn2)cn1 1122513774 DVGSATICDTZONX-NSHDSACASA-N 314.305 -0.761 30 20 DBED C=CCn1cc(C(=O)NC[C@H](CO)Nc2nccc(C)n2)nn1 1122634487 AIHCGBSNSSZUEM-LLVKDONJSA-N 317.353 -0.235 30 20 DBED N#Cc1cncc(N[C@@H](CO)CNC(=O)Cc2cscn2)n1 1122652495 PZJOCNOXIPSHOX-LLVKDONJSA-N 318.362 -0.064 30 20 DBED C[C@H]1C[C@@H](N=c2cc[nH]c(C#N)n2)CN1C(=O)CCNC(N)=O 1123234410 ZOCXGOLSDACDKS-VHSXEESVSA-N 317.353 -0.770 30 20 DBED N#Cc1nc(=NC[C@@H]2CC[C@H](NC(=O)CC(N)=O)C2)cc[nH]1 1123750645 DFDPKOPXPONADN-ZJUUUORDSA-N 302.338 -0.658 30 20 DBED CN(C[C@H](O)CN(C)c1ccc(C#N)nn1)C(=O)[C@H]1CCCO1 1124940478 SICBZTPAUCICFV-CHWSQXEVSA-N 319.365 -0.217 30 20 DBED C#CCNC(=O)CC(=O)NCCNCc1nc([C@@H](C)OC)no1 1125978111 LQLKMSLMXIZBSA-SNVBAGLBSA-N 323.353 -0.878 30 20 DBED C#CCNC(=O)CC(=O)NCCNCCn1cc(Cl)cn1 1125997602 BOWLOUOLTNAYLZ-UHFFFAOYSA-N 311.773 -0.618 30 20 DBED CC#CCN[C@@H]1CN(C(=O)c2ccnnc2)C[C@@H]1n1ccnn1 1130017695 UOLUEZHEKCMXMX-KGLIPLIRSA-N 311.349 -0.253 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1cccc2nccn12 1131268302 NACFSYWJVWTEHR-UHFFFAOYSA-N 301.350 -0.044 30 20 DBED C#CCNC(=O)CNCCNC(=O)C[C@@H]1CC[C@H](C2CC2)O1 1131585190 HZKLQPQDKXRFKB-UONOGXRCSA-N 307.394 -0.211 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1ocnc1C(F)(F)F 1131796091 JGJMRSYLSVRSBE-UHFFFAOYSA-N 318.255 -0.238 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](C)[C@H](CNCC(=O)NC)C1 1132827088 COQAGKYUGXLBLL-ZIAGYGMSSA-N 309.410 -0.154 30 20 DBED C=CCN1CCCO[C@H](CNC(=O)Cn2nc(C)n(C)c2=O)C1 1150663356 IRVIULGZTVJXGX-CYBMUJFWSA-N 323.397 -0.717 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1cnn(C)c1C1CC1 1153538974 KPAYKCDJQKKOSO-UHFFFAOYSA-N 305.382 -0.081 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)C[C@@H]2CCNC2=O)C1=O 1159798674 CRIUKZGCHILBMY-STQMWFEESA-N 322.409 -0.605 30 20 DBED C#CCNC(=O)CC(=O)NCC1(COC)CCN(CC)CC1 1162219176 UWTWWNQQXNXYLS-UHFFFAOYSA-N 309.410 -0.009 30 20 DBED C#Cc1ccc(C(=O)NCCCNCc2nc(=O)n(C)[nH]2)cc1 1163733819 FIMIICAFKOEGLA-UHFFFAOYSA-N 313.361 -0.001 30 20 DBED N#Cc1ccc(CNCCCNC(=O)[C@@H]2CNC(=O)N2)s1 1165467329 MAACZFILTKBKBG-NSHDSACASA-N 307.379 -0.103 30 20 DBED C#Cc1cncc(C(=O)NCCCNCc2nc(O)n[nH]2)c1 1166299627 WDOCKIGOAZNDRC-UHFFFAOYSA-N 300.322 -0.204 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@H](CC(=C)C)NC(C)=O 1167683501 ALVGOSJFTHQPMS-AWEZNQCLSA-N 324.425 -0.145 30 20 DBED CCN(CCC#N)C(=O)CNCCCNC(=O)c1cccnn1 1169008607 NHCSYNOPDGSEFL-UHFFFAOYSA-N 318.381 -0.052 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1cnccc1N(C)C 1171353961 FTBRQSSFCQZNCY-UHFFFAOYSA-N 317.393 -0.394 30 20 DBED CCOc1ncccc1C(=O)NCCCNCC(=O)NCC#N 1175050175 IVTPEEIVIGEHGC-UHFFFAOYSA-N 319.365 -0.170 30 20 DBED C=CCOCCNC[C@@H]1CCN(C(=O)Cn2ncnn2)C[C@@H]1C 1184399890 PGZRHMMDJOYBAQ-KBPBESRZSA-N 322.413 -0.050 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1185012170 AFMUYBGVVREUPR-MEBFFEOJSA-N 307.394 -0.240 30 20 DBED C=CCNC(=O)CN1C[C@@H]2CCN(C(=O)[C@H]3CCC(=O)N3)[C@@H]2C1 1187262847 OETDCAYGMXFSRG-YNEHKIRRSA-N 320.393 -0.900 30 20 DBED C=CCCOCC(=O)N1CC[C@@H](NCCN2C(=O)CCC2=O)C1 1188301298 AKAVFLWUDFQWPN-CYBMUJFWSA-N 323.393 -0.081 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2cc[n+]([O-])cc2)C1 1188726023 GJFVDGJHUNRKII-CQSZACIVSA-N 318.377 -0.232 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)Cc2cc[nH]n2)C1 1189498370 ANRSWSNNLKBQDK-ZDUSSCGKSA-N 305.382 -0.213 30 20 DBED COCC#CCN(C)[C@H]1CCN(C(=O)[C@H]2CCN(C)C2=O)C1 1191849053 KAKIAKLSPRVQPZ-KBPBESRZSA-N 307.394 -0.353 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CN(CC(=O)N2CCCCC2)C[C@H]1O 1192770568 LUEUBXUSEACDIH-HUUCEWRRSA-N 319.405 -0.426 30 20 DBED CC(C)(C)C#CC(=O)N[C@@H]1CN([C@@H]2CCC(=O)NC2=O)C[C@H]1O 1192870628 DAULKHJAABFXQB-IJLUTSLNSA-N 321.377 -0.998 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)CCCN2C(=O)CCC2=O)C1 1193519783 BUSNWXINPPKOMZ-CHWSQXEVSA-N 321.377 -0.900 30 20 DBED CNC(=O)NC(C)(C)C(=O)N1CC[C@H](N(C)CC#CCOC)C1 1194265874 HQGXMVJMVDUTIJ-ZDUSSCGKSA-N 324.425 -0.124 30 20 DBED C#CCNC(=O)[C@H](C)N1CCCN(C(=O)c2cnsn2)CC1 1194970524 CXLSOTCHGDTMAG-NSHDSACASA-N 321.406 -0.176 30 20 DBED C#CCCCC(=O)N1CCCN([C@H](C)C(=O)NC(N)=O)CC1 1195645243 LVLTZUUDPXFTBY-GFCCVEGCSA-N 308.382 -0.092 30 20 DBED C=CCCOCC(=O)N1CCCN(Cc2nc(=O)n(C)[nH]2)CC1 1198315796 IWKKCALBXCBOQZ-UHFFFAOYSA-N 323.397 -0.265 30 20 DBED C#CCCNC[C@H]1CN(C(=O)c2cc(=O)n(C)o2)CCCO1 1200380250 SUUJQGDIOBEJAO-LBPRGKRZSA-N 307.350 -0.178 30 20 DBED COCc1nn(C)cc1C(=O)N1CCCO[C@@H](CNCC#N)C1 1200830926 GZCBPTWQAOCNNU-LBPRGKRZSA-N 321.381 -0.089 30 20 DBED CC#CCNC[C@H]1CN(C(=O)[C@@]2(C)CCNC2=O)CCCO1 1201396593 ZSYQFSDABPTVQS-BBRMVZONSA-N 307.394 -0.257 30 20 DBED C=CCOCCNC1CCN(C(=O)[C@H]2CN(C)C(=O)N2)CC1 1201967133 RFAFPQCWEBTKQS-CYBMUJFWSA-N 310.398 -0.207 30 20 DBED N#CCNC(=O)CNCC1CCN(C(=O)[C@@H]2CCOC2)CC1 1204692260 IJBAIHGSNXJTCO-CYBMUJFWSA-N 308.382 -0.509 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)C#CC2CC2)CC1 1205203968 UQTFCFUDYRWUEX-UHFFFAOYSA-N 301.390 -0.023 30 20 DBED CCc1oncc1C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1208995705 OBTKUUHCKHWDBR-ZYHUDNBSSA-N 319.365 -0.073 30 20 DBED COCC#CCN1C[C@@H](NC(=O)[C@@]23COC[C@@H]2C3)[C@H](OC)C1 1212299259 DQIPWBDTHWWUGE-NHIYQJMISA-N 308.378 -0.512 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H](C)NC(=O)C1CCC1 1219074958 CMNNDVRQXHDPLM-AEGPPILISA-N 319.405 -0.164 30 20 DBED CN1CCC[C@@H](N2C[C@H](O)[C@H](NC(=O)C#CC(C)(C)C)C2)C1=O 1219598041 FYBDUWHKMUSJMF-MCIONIFRSA-N 321.421 -0.182 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)[C@@H](C)c2ccnn2C)C1 1219652232 JNJWHHAPVYJHRI-GUTXKFCHSA-N 322.409 -0.113 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)CCCn2ccnn2)C1 1219789042 LQTKOSABOQNRPL-KGLIPLIRSA-N 323.397 -0.578 30 20 DBED N#CCNC(=O)CN1CCC(CNC(=O)c2cnccn2)CC1 1222269268 FTPTZCRREJMDHP-UHFFFAOYSA-N 316.365 -0.442 30 20 DBED CC(=O)N[C@H](CCC(N)=O)C(=O)NCC1CCN(CC#N)CC1 1224854612 FSMRNBAIEZNPAP-CYBMUJFWSA-N 323.397 -0.892 30 20 DBED C#CCCN1CCC(CNC(=O)CN2CC(=O)N(C)C2=O)CC1 1225150254 ZVIGDEHVXZPMFV-UHFFFAOYSA-N 320.393 -0.268 30 20 DBED C=CCN1CC[C@H](N2CCC(NC(=O)CNC(N)=O)CC2)C1=O 1226010489 NYFPEXNSQNUKDS-LBPRGKRZSA-N 323.397 -0.978 30 20 DBED C=C[C@@](C)(O)CC(=O)NC1CCN(CC(=O)NC(N)=O)CC1 1227124809 ZMFIDCGTZPSPJD-CQSZACIVSA-N 312.370 -0.911 30 20 DBED C=CCNC(=O)[C@H](C)N1CCC(NC(=O)c2nc[nH]n2)CC1 1229655946 WLVQFEZVKUGKLW-JTQLQIEISA-N 306.370 -0.310 30 20 DBED CN(C)S(=O)(=O)CCC(=O)N[C@@H]1CCCC[C@H]1NCC#N 1230233488 AWZOWVKPWQHZBQ-VXGBXAGGSA-N 316.427 -0.192 30 20 DBED CN(C[C@H]1CCN1CC(=O)NCC#N)C(=O)C1=CCOCC1 1233837064 LFGQZNGDPDYFBY-CYBMUJFWSA-N 306.366 -0.494 30 20 DBED N#CCNC(=O)CNC[C@H]1CCCN1C(=O)[C@]1(F)CCOC1 1319102415 WLIKLFURSHCZGD-RISCZKNCSA-N 312.345 -0.665 30 20 DBED CN1CCC(C#N)(NC(=O)CNC(=O)c2ccncc2)CC1 1320451072 JTOLAMJVBIRTLV-UHFFFAOYSA-N 301.350 -0.084 30 20 DBED C=CCN1CCC(NC(=O)C(=O)NCCNC(=O)C(C)C)CC1 1322540933 OOOOYTXNQFEQKB-UHFFFAOYSA-N 324.425 -0.359 30 20 DBED C=CCN1CCC(NC(=O)C(=O)N2CC[C@@](F)(CO)C2)CC1 1326489334 ACFWOFQVNHJKCN-HNNXBMFYSA-N 313.373 -0.314 30 20 DBED COC(=O)NC1CN(C(=O)C(=O)N2CCC[C@@](C)(C#N)C2)C1 1327243832 OPWFGCMGMMFFMZ-AWEZNQCLSA-N 308.338 -0.295 30 20 DBED C#CC1CCN(C(=O)C(=O)NCC(C)(C)S(C)(=O)=O)CC1 1328281040 ZADPATMUECGMPL-UHFFFAOYSA-N 314.407 -0.202 30 20 DBED N#CC1CCN(C(=O)C(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)CC1 1328780287 MNYGPYLNHNKNHN-LBPRGKRZSA-N 318.377 -0.124 30 20 DBED N#C[C@]1(F)CCN(C(=O)C(=O)N2[C@H]3CC[C@H]2CC(=O)NC3)C1 1328939199 QOWDFKIZCMZCTB-PKFCDNJMSA-N 308.313 -0.670 30 20 DBED C#CC1CCN(C(=O)C(=O)N[C@H]2CCN(C(C)C)C2=O)CC1 1329346885 IHOCDOBAHZJZCS-ZDUSSCGKSA-N 305.378 -0.016 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N[C@@H](C)c1ncnn1C 1332750431 ZVGTYYGBJGFDDX-WDEREUQCSA-N 307.354 -0.463 30 20 DBED C=CCC1(O)CCN(C(=O)C(=O)NCC(=O)N(C)CC)CC1 1332922398 XKCNMTMVTBXFIE-UHFFFAOYSA-N 311.382 -0.490 30 20 DBED C=CCn1cc(Cn2nnnc2N2CCC(CO)CC2)nn1 1334625953 HSWJVFLTLSNRDA-UHFFFAOYSA-N 304.358 -0.292 30 20 DBED C#CC[C@@H](NC(=O)[C@@H]1CC(c2cnn(C)c2)=NO1)C(=O)OC 1337269072 XSBPIXVWTBMIFA-PWSUYJOCSA-N 304.306 -0.406 30 20 DBED C=CCn1c(N2CCO[C@@H](C#N)C2)nnc1[C@@]1(O)CCOC1 1339125407 UZSLQFZJRJLQNB-SMDDNHRTSA-N 305.338 -0.199 30 20 DBED C=CCS(=O)(=O)CCn1nnnc1N1CCO[C@H](C)C1 1339357151 BEKRECAEKRRUST-SNVBAGLBSA-N 301.372 -0.501 30 20 DBED C[C@@H](C#N)C(=O)NCCN1CCN(Cc2cnns2)CC1 1376081679 PUMRMNDRVXCPPR-NSHDSACASA-N 308.411 -0.068 30 20 DBED CCO[C@@H](C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 1383998315 RCIPJTFGTXQRGI-ZWKOPEQDSA-N 320.349 -0.387 30 20 DBED C[C@@H](C#N)C(=O)NC1CCN(C(=O)c2c[nH]c(C(N)=O)c2)CC1 1385362644 BTOWJBOZMCRVFQ-VIFPVBQESA-N 317.349 -0.006 30 20 DBED C[C@H](C#N)C(=O)NC1CN(C(=O)[C@@H]2CCc3nnn(C)c3C2)C1 1398676332 APDVVGNYLHQBEU-NXEZZACHSA-N 316.365 -0.593 30 20 DBED CCN(C(=O)C1(NC(N)=O)CC1)[C@H]1CCN(C(=O)[C@@H](C)C#N)C1 1398887804 WFGFDKPPJCJLAA-QWRGUYRKSA-N 321.381 -0.204 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)[C@H](C)CN2CCOCC2)CC1 1400569926 IZQURONEZCBZGP-QWHCGFSZSA-N 322.409 -0.121 30 20 DBED CSCC[C@H](NC(N)=O)C(=O)N1CC[C@@](O)(CC#N)C1 1413175960 CRWOCLXEIWSMAF-CABZTGNLSA-N 300.384 -0.347 30 20 DBED Cc1cnn(C)c1C(=O)N(C)C[C@@H](O)CNC(=O)[C@H](C)C#N 1413316302 NABMQZARJVBXIF-KOLCDFICSA-N 307.354 -0.563 30 20 DBED CCN(CCNC(=O)c1cn(C)c(=O)n1C)C(=O)[C@H](C)C#N 1415687909 ZADXLMZHEGNDDX-SNVBAGLBSA-N 307.354 -0.538 30 20 DBED Cn1c(=O)[nH]c(SCc2cccc(C(N)=O)n2)c(C#N)c1=O 1421129369 HBCYRKOCLJKNSU-UHFFFAOYSA-N 317.330 -0.269 30 20 DBED CNC(=O)NCC(=O)N[C@H](C)CN(C)C(=O)c1cc(C#N)c[nH]1 1425029890 ZMAQOBJFJGXOAA-SECBINFHSA-N 320.353 -0.608 30 20 DBED C[C@H](CNC(=O)C(C)(C)N1CCOCC1)NC(=O)[C@H](C)C#N 1430669292 UTIJVXRVNPSPEG-VXGBXAGGSA-N 310.398 -0.122 30 20 DBED CN(CCNC(=O)c1cc(C#N)c[nH]1)C(=O)CCc1nc[nH]n1 1431201518 RGSOQGMGQDDHMG-UHFFFAOYSA-N 315.337 -0.175 30 20 DBED C[C@H](C#N)C(=O)NC1CN(C(=O)Cc2ccc(C(N)=O)cc2)C1 1432336464 NFOPLYIAGALVOU-SNVBAGLBSA-N 314.345 -0.185 30 20 DBED COc1cccnc1NC(=O)Cn1cc(C#N)c(O)nc1=O 1442519583 CRNJXTYSJMMGNH-UHFFFAOYSA-N 301.262 -0.137 30 20 DBED Cc1c(C(=O)N2CC[C@@H](CNC(=O)[C@H](C)C#N)C2)nnn1C 1448265564 QQJRGNCDLDXQID-KOLCDFICSA-N 304.354 -0.139 30 20 DBED CNC(=O)Cc1noc(CNC[C@@H](C)CNC(=O)[C@H](C)C#N)n1 1495633272 NNAACINJDPHNBC-NXEZZACHSA-N 322.369 -0.640 30 20 DBED CC(C)N1CC[C@H](N2CC(O)(CNC(=O)[C@H](C)C#N)C2)C1=O 1500805928 BIFOSHKANZCYLV-NEPJUHHUSA-N 308.382 -0.682 30 20 DBED C[C@H](CCNC(=O)c1cnn[nH]1)NC(=O)c1cc(C#N)c[nH]1 1527642583 OVIAYXSVYRYGNR-MRVPVSSYSA-N 301.310 -0.057 30 20 DBED CN(C(=O)Cn1ncn2nccc2c1=O)c1ccc(C#N)nc1 1530632759 XOCPLALYWJJBKK-UHFFFAOYSA-N 309.289 -0.179 30 20 DBED COC(=O)N1CCN(c2cnc(C#N)c(-c3nn[nH]n3)n2)CC1 1570918791 KMROTLGLKCXCFX-UHFFFAOYSA-N 315.297 -0.583 30 20 DBED C#CCN(CC(=O)O)c1nnc([C@]2(O)CCOC2)n1CCOC 1588427222 QUQWKDFQBXKOIQ-AWEZNQCLSA-N 324.337 -0.943 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CCN(c2ncc(C(=O)O)cn2)C1 1588490452 NGIXYICMGPPFCY-CMPLNLGQSA-N 318.333 -0.092 30 20 DBED C=C[C@@H]1CCCCN1c1[nH]c(=O)n(C)c(=O)c1-c1nn[nH]n1 1588527147 DCDVPBJIWPEILW-MRVPVSSYSA-N 303.326 -0.201 30 20 DBED C[C@@](C#N)(CC(=O)O)C(=O)NCCOCCS(C)(=O)=O 1588558245 QACAYTCBBQNQOM-NSHDSACASA-N 306.340 -0.832 30 20 DBED COC(=O)[C@@H]1CN([C@H](C)C(=O)NC2(C#N)CCC2)C[C@H]1C(=O)O 1598816451 CDDJYBFNUYKRJN-GMTAPVOTSA-N 323.349 -0.257 30 20 DBED COC(=O)CCCCCS(=O)(=O)N(CC#N)CC(=O)O 1598851496 VNXWSDPXYLPORN-UHFFFAOYSA-N 306.340 -0.040 30 20 DBED C#CC[C@@H](NS(=O)(=O)Cc1ccc(C(=O)NC)cc1)C(=O)O 1602698551 KTJIQTCBHFGUJY-GFCCVEGCSA-N 324.358 -0.058 30 20 DBED C=C(C)C[C@@H](NS(=O)(=O)N1CCC[C@H]1C(=O)O)C(=O)OC 1602709517 FMVRVHWESUSFDP-ZJUUUORDSA-N 320.367 -0.122 30 20 DBED C=CC[C@H](C)NC(=O)Cn1cc(-c2nn[nH]n2)c(O)nc1=O 1602812001 UXROXBNGUKZDBS-ZETCQYMHSA-N 305.298 -0.790 30 20 DBED C=CCSCCNC(=O)NCCn1cnc(-c2nn[nH]n2)n1 1602869188 BLIABPBKBMWRMZ-UHFFFAOYSA-N 323.386 -0.323 30 20 DBED C=CCN1CCC(NC(=O)NCCn2cc(C(=O)O)nn2)CC1 1602898367 QCPVGXWUJREDQC-UHFFFAOYSA-N 322.369 -0.074 30 20 DBED COCCCOCCC(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[nH]1 1605091623 DZKJINLHZSHQEY-UHFFFAOYSA-N 320.313 -0.157 30 20 DBED N#CC1(C(=O)O)CCN(C(=O)C2CN([C@H]3CCOC3)C2)CC1 1608171642 PDSIVZURYXGLED-LBPRGKRZSA-N 307.350 -0.076 30 20 DBED C#C[C@H](NC(=O)N1CCN(C)C[C@@H](C(=O)O)C1)[C@H]1CCCO1 1609054271 DSHVKLSZYZQZNW-FRRDWIJNSA-N 309.366 -0.175 30 20 DBED C[C@@H](C(=O)N1CCSC[C@H]1C#N)n1cnc(-c2nn[nH]n2)n1 1609068622 KRBHADRXGZVTAR-JGVFFNPUSA-N 319.354 -0.513 30 20 DBED Cc1nc(-c2nn[nH]n2)c(C#N)n1CC(=O)NCC(F)(F)F 1609445387 FAOIWLWZTZRQIQ-UHFFFAOYSA-N 314.231 -0.078 30 20 DBED C#CCCCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H](CC)N(C)C)C1 1682561881 OJSRSXNJQBBPBT-HZSPNIEDSA-N 309.410 -0.182 30 20 DBED C[C@@H](C(N)=O)N1CCN(CCNC(=O)C#CC(C)(C)C)CC1 1752365790 KBTKYUGZYYXHMQ-ZDUSSCGKSA-N 308.426 -0.357 30 20 DBED C=CCNC(=O)[C@H](C)NC[C@H]1CCN(C(=O)c2cnon2)C1 1752953228 CTMXGUNPHVQNGV-WDEREUQCSA-N 307.354 -0.188 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CCCN1CCN1C(=O)CNC1=O 1753104980 JOXONYNQLFDTEU-CYBMUJFWSA-N 320.393 -0.222 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@@H](CNC(=O)CCN(C)CC)C1 1753138882 ZVJYZASSOVIMPS-CABCVRRESA-N 322.453 -0.096 30 20 DBED C=CCC[C@H](C)N1CC[C@H](NC(=O)C[C@H](NC(C)=O)C(N)=O)C1 1753428654 LHFMPLAOZLPXIA-UBHSHLNASA-N 324.425 -0.088 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H](CCNCc2nc(=O)n(C)[nH]2)C1 1753543999 ZRIWADQFKRBNNW-NWDGAFQWSA-N 320.397 -0.014 30 20 DBED C=CCNC(=O)CNC[C@H](O)CNC(=O)c1scnc1C 1753906291 UCDGWVKZPCLACB-JTQLQIEISA-N 312.395 -0.566 30 20 DBED C=CCNC(=O)CNC[C@H](O)CNC(=O)c1sccc1F 1753910490 XSIHFILEGQZVHO-VIFPVBQESA-N 315.370 -0.130 30 20 DBED C#CCOCCC(=O)N(C)C1CN(Cc2nnnn2C2CC2)C1 1754574970 KSDZYBXNAJOFPR-UHFFFAOYSA-N 318.381 -0.310 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC(O)(CNC(=O)c2coc(C)n2)C1 1754776155 YBLULJXMHQWHKO-SNVBAGLBSA-N 322.365 -0.550 30 20 DBED COC[C@@H](C)C(=O)N1CCC[C@H]2CN(CC(=O)NCC#N)C[C@H]21 1754869942 AELQURBUMUZCRN-HZSPNIEDSA-N 322.409 -0.169 30 20 DBED C#CCNC(=O)CNCC[C@H]1CCN(C(=O)C[C@@H]2CCOC2)C1 1754908770 QUHTZOVXNOWOLH-GJZGRUSLSA-N 321.421 -0.009 30 20 DBED C=CCOCCN1CCOC[C@H]1CNC(=O)Cc1cnc[nH]1 1754972986 UBKFTFCWOSIBAG-CQSZACIVSA-N 308.382 -0.028 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H](CO)CNC(=O)C1CCOCC1 1755621446 OHGGLGISSAFRKJ-DGCLKSJQSA-N 313.398 -0.830 30 20 DBED COCC#CCN[C@H](CO)CNC(=O)Cc1cc(C2CC2)no1 1755630430 JJHRUTFGTQWWJN-ZDUSSCGKSA-N 321.377 -0.189 30 20 DBED C#CCNC[C@H](NC(=O)CN1CCCS1(=O)=O)C(C)(C)C 1755826016 ZHWCNDRVHNVNSX-LBPRGKRZSA-N 315.439 -0.224 30 20 DBED C#CCN(CCNC(=O)[C@@H]1CCc2nnn(C)c2C1)CCOC 1755840862 NQAAYRBEVCRHQN-CYBMUJFWSA-N 319.409 -0.382 30 20 DBED C=C(C)CCC(=O)N[C@H](C)[C@H](C)NC(=O)CN1C(=O)CNC1=O 1755973986 JPXNLPFIZLHIBM-MNOVXSKESA-N 324.381 -0.096 30 20 DBED C#CCOCCC(=O)N1CC(CCO)(NC(=O)c2cc[nH]c2)C1 1756083870 FKTKFUZLWPMFIP-UHFFFAOYSA-N 319.361 -0.252 30 20 DBED C#CCOCCC(=O)N1CC([C@H](C)NC(=O)[C@@H]2COC(=O)N2)C1 1756140156 GTMDMLHDEGUNQX-JQWIXIFHSA-N 323.349 -0.902 30 20 DBED C[C@H](NC(=O)C#CC1CC1)C1CN(C(=O)[C@@H]2CNC(=O)N2)C1 1756149544 FCAIPIGSKMMQIF-CABZTGNLSA-N 304.350 -0.956 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)c2cnnn2C)CC1(C)C 1756174866 LHTOMAOFDMIIOO-GFCCVEGCSA-N 321.381 -0.016 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C[C@H](C)NC(=O)c1ccc(O)nn1 1756453707 UFCJTJOIJQJGAL-WDEREUQCSA-N 320.349 -0.203 30 20 DBED C=CCO[C@H](C)C(=O)N[C@H](C)CN(C)C(=O)Cc1nc[nH]n1 1756498642 GBCXAWYHDLSGGH-GHMZBOCLSA-N 309.370 -0.099 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H](CO)CNC(=O)c1ccnn1C 1756508097 OUEHXRUMGOHAHI-WDEREUQCSA-N 310.354 -0.782 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@H](O)[C@H](NC(=O)c2cc[nH]c2C)C1 1757164740 WIBQQZSPMQBIFZ-BNOWGMLFSA-N 319.361 -0.337 30 20 DBED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3cncc(O)c3)C2)C1 1783623466 OOBRYDUAUDYLNA-INIZCTEOSA-N 315.329 -0.136 30 20 DBED COC(=O)NCC(=O)N1CC[C@]2(CN(C(=O)CC#N)CCO2)C1 1784260668 ZVHVUOOODIRKQI-CQSZACIVSA-N 324.337 -0.914 30 20 DBED N#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncc[nH]1 1794500786 UCRXWJJFNUCOPE-PTEHBNRSSA-N 317.349 -0.083 30 20 DBED N#CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cn1cncn1)C2 1795461322 WGCCHSBYMPTKOU-ZSBIGDGJSA-N 302.338 -0.170 30 20 DBED C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CCNC(=O)C1 1802447058 ILBJWYYONHKKHR-RVMXOQNASA-N 303.362 -0.216 30 20 DBED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)C(OC)OC)C1 1841486358 ZCMNCNAHHZYWKC-GFCCVEGCSA-N 324.377 -0.153 30 20 DBED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)c2cc[nH]n2)C1 1841700470 FSLBUMWTUHMHRE-UHFFFAOYSA-N 302.290 -0.685 30 20 DBED O=C(C#CC1CC1)N1CC2(CCCN2C(=O)Cn2nccn2)C1 1845264123 CTEAVOOHAYZKSF-UHFFFAOYSA-N 313.361 -0.105 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N1CCN(c2ncccn2)CC1 24254167 UBBHKBVJNFFMLK-GFCCVEGCSA-N 318.381 -0.001 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)c1ccc(OCC(N)=O)cc1 27928549 PSDSANXYOAOSHP-JTQLQIEISA-N 304.302 -0.155 30 20 DBED N#Cc1ccc(OC[C@@H](O)CN2CCO[C@H](C(N)=O)C2)cc1 51106531 JNNTXURGPGILMX-JSGCOSHPSA-N 305.334 -0.516 30 20 DBED CC(C)(C#N)CCN1CCN(C(=O)C(=O)N2CCOCC2)CC1 157492236 DRPISILFLGSHJZ-UHFFFAOYSA-N 322.409 -0.071 30 20 DBED CC(=O)NC[C@@H]1CN(CC(=O)N[C@@](C)(C#N)C(C)C)CCO1 172182522 FEYZXCLFUFDXOM-HIFRSBDPSA-N 310.398 -0.122 30 20 DBED C=C(Br)CNC(=O)NCCS(=O)(=O)NC 187447169 MIAYVJBQESNHMX-UHFFFAOYSA-N 300.178 -0.257 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC(C(=O)NCCN(C)C)CC1 195519251 LYGWSJNZANQVLB-CYBMUJFWSA-N 308.426 -0.486 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@](C)(CC)CCO)C1=O 272250769 ZHCSHVUCPYTYMM-CQSZACIVSA-N 311.338 -0.370 30 20 DBED C#CCOc1ccc(F)cc1NC(=O)C(=O)N[C@H](CO)COC 280450522 NELVEHUJJCRBHZ-LLVKDONJSA-N 324.308 -0.100 30 20 DBED C[C@H]1CN/C(=N\C[C@H](O)CS(=O)(=O)c2cccs2)N1 285041318 KKVBAOUNJPLTBY-IUCAKERBSA-N 303.409 -0.180 30 20 DBED N#Cc1ncn(CCNC(=O)N2CC(=O)N[C@@H]3CCCC[C@H]32)n1 288007044 XXQXQANNWXWRPD-GHMZBOCLSA-N 317.353 -0.398 30 20 DBED C=CCCOCCNC(=O)C(=O)NCCN(C)CCCOC 288285260 VLNQSGZDFZUZPL-UHFFFAOYSA-N 315.414 -0.220 30 20 DBED O=C(Cn1cc(N=C(O)N2CCOCC2)cn1)N1CCOCC1 329948242 YVSDZVUGUSMNMC-UHFFFAOYSA-N 323.353 -0.380 30 20 DBED O/C(=N/[C@@H]1CCc2ncnn2C1)N1CCO[C@]2(CCOC2)C1 329975319 ZOWHXAMSCIBUQG-BXUZGUMPSA-N 307.354 -0.002 30 20 DBED CCCCN(C(=O)CN/C(O)=N/C)[C@H]1CCS(=O)(=O)C1 330499851 LIRFHCIPKGNPKJ-JTQLQIEISA-N 305.400 -0.064 30 20 DBED CC(C)/N=C(/O)N1CCC[C@H]1C(=O)NCCNS(C)(=O)=O 330986512 QEMUSKOCKNVLPP-JTQLQIEISA-N 320.415 -0.561 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)NC[C@H]1CCCS1(=O)=O 337764506 LXTYIZNMBZMLOC-NXEZZACHSA-N 309.413 -0.368 30 20 DBED COC(=O)[C@H]1CNC(=O)CN1C(=O)c1cccc(CC#N)c1 344949057 QTNOXKJCMXMLSB-GFCCVEGCSA-N 301.302 -0.134 30 20 DBED CCN1CCN(C(=O)NCCn2cnc(C#N)n2)[C@@H](C)C1=O 347639830 WYKMCLPNSBFKCS-JTQLQIEISA-N 305.342 -0.588 30 20 DBED C=CCNC(=O)NC(=O)CN1CCS(=O)(=O)CC1(C)C 348316007 FJFDRPXUZDEDQB-UHFFFAOYSA-N 303.384 -0.493 30 20 DBED CC(C)n1cc(C#N)c(NC(=O)C(=O)NCCC(C)(C)O)n1 358017509 ORJJCIAAJHUWHM-UHFFFAOYSA-N 307.354 0.551 30 20 DBED CC(C)n1cc(C#N)c(NC(=O)C(=O)NC[C@@H]2CCCO2)n1 359058620 JIDKMIZHXVKBBL-NSHDSACASA-N 305.338 0.569 30 20 DBED Cn1c(N[C@H]2CCN3CCC[C@H]3C2)c(C#N)c(=O)n(C)c1=O 363108759 XTWXABBTZITTHG-QWRGUYRKSA-N 303.366 -0.006 30 20 DBED C=CCn1cc(CNC(=O)NCCNc2cnccn2)nn1 425561674 CJXVNOSDZGOYDU-UHFFFAOYSA-N 302.342 0.165 30 20 DBED C=CCN1CCC(NS(=O)(=O)N(C)CCC(=O)OC)CC1 487002521 SQCSNQVGNVDWHU-UHFFFAOYSA-N 319.427 -0.034 30 20 DBED C#CCN1CCN(C(=O)CN2C(=O)N[C@@](C)(C(C)C)C2=O)CC1 490762071 FGKLSKCWZUEMPP-INIZCTEOSA-N 320.393 -0.270 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2O[C@H](C)C[C@H]2C)CC1 491045299 KFRKXNBCQSAHAS-UMVBOHGHSA-N 307.394 -0.307 30 20 DBED N#Cc1c[nH]cnc1=NCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 518174912 BXAGNSOAQZLUHZ-UKJIMTQDSA-N 309.329 -0.011 30 20 DBED N#Cc1ccc(S(=O)(=O)NCC(=O)NCC2(N)CCC2)cc1 576989259 OOBXPLFEUZJNKE-UHFFFAOYSA-N 322.390 -0.166 30 20 DBED C[C@@H]1CN(C(=O)NCC(=O)NCC#N)C[C@H](C(F)(F)F)O1 588746495 JFSFRQLDYIVGRK-HTQZYQBOSA-N 308.260 -0.013 30 20 DBED CC#CC[C@@H](CO)NS(=O)(=O)N(CCC#N)CCOC 592111985 KQXUKVTZJKCIDA-LBPRGKRZSA-N 303.384 -0.543 30 20 DBED COC(=O)[C@@H]1C[C@H](O)CN([C@@H](C)C(=O)NC2(C#N)CCC2)C1 592209209 WFPASEKTYTVXQF-TUAOUCFPSA-N 309.366 -0.207 30 20 DBED COC(=O)COCC(=O)N1CCN(c2cnccc2C#N)CC1 597689226 KIFRMXNCVXGBBO-UHFFFAOYSA-N 318.333 -0.209 30 20 DBED CC(C)(NS(C)(=O)=O)C(=O)N1CCN(CCC#N)CC1 602208539 PQQGHKLTZQXDQI-UHFFFAOYSA-N 302.400 -0.628 30 20 DBED C=C[C@@](C)(O)C(=O)NC[C@@H](O)CS(=O)(=O)c1cccs1 612844882 IDHZDWXNAJKBSU-BXKDBHETSA-N 319.404 -0.064 30 20 DBED NC(=O)CNC(=S)NN=Cc1ccc(OCCC(=O)O)cc1 731929875 MIWWHSRVUJEIMV-UHFFFAOYSA-N 324.362 -0.177 30 20 DBED C#CCCCNC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 742786156 JOMQNWXWIPKIHH-RYUDHWBXSA-N 312.391 -0.448 30 20 DBED C#CCNS(=O)(=O)N1CCN(Cc2c(C)noc2C)CC1 761033686 YZKQFUFAXWFFIJ-UHFFFAOYSA-N 312.395 -0.123 30 20 DBED N#Cc1cccnc1NCCNC(=O)[C@@H]1CN2CCCN1CC2 763999204 DKUPACQOASFEER-AWEZNQCLSA-N 314.393 -0.129 30 20 DBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NC1(CO)CCC1 767887590 YPUZOHLSPOCUTJ-UHFFFAOYSA-N 323.374 -0.244 30 20 DBED CC(CO)(CO)C(=O)OCc1cc(O)n2ncc(C#N)c2n1 784390671 RXXZEWOCBQMXKI-UHFFFAOYSA-N 306.278 -0.659 30 20 DBED N#CC1(CS(=O)(=O)NC(=O)Cn2ccc([N+](=O)[O-])n2)CC1 793198268 WXBQRCLPGPFHPT-UHFFFAOYSA-N 313.295 -0.459 30 20 DBED C#Cc1cc(F)c(NC(=O)C(=O)NCc2nnn(C)n2)c(F)c1 802575688 VKASRINBIPINPH-UHFFFAOYSA-N 320.259 -0.276 30 20 DBED C#C[C@@H](NC(=O)C(=O)NCCc1ccn(C)n1)[C@@H]1CCCO1 809175947 ICCQMJUUDVYQKP-OLZOCXBDSA-N 304.350 -0.624 30 20 DBED C#C[C@H](NC(=O)C(=O)N1C[C@H](CO)OC(C)(C)C1)[C@@H]1CCCO1 817839329 YCZXDJHSVNIQIK-AGIUHOORSA-N 324.377 -0.718 30 20 DBED C=CCn1cc(C(=O)OCC(=O)N2CCCC[C@@H]2C(N)=O)nn1 830135693 JVBMDNKBCNJEQT-LLVKDONJSA-N 321.337 -0.513 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N1CCO[C@H](CC(=O)O)C1 833378100 JCZWQSOATUEVGE-SNVBAGLBSA-N 320.367 -0.528 30 20 DBED N#C[C@@H]1CNC[C@@H]1NC(=O)CN1C(=O)NC2(CCCC2)C1=O 834506187 QHOXCSCMLJVWSR-ZJUUUORDSA-N 305.338 -0.921 30 20 DBED CNS(=O)(=O)c1cccc(C(=O)N[C@H]2CNC[C@H]2C#N)c1 834512650 ZSKWAESKBXRPBR-PWSUYJOCSA-N 308.363 -0.564 30 20 DBED C#C[C@H](C)NS(=O)(=O)CCCS(=O)(=O)Nc1ccon1 848965363 NEKZGNRDUNHKKD-VIFPVBQESA-N 321.380 -0.253 30 20 DBED CON=CC(=O)N1[C@@H](C(=O)NCCC(=O)OC)CS[C@@H]1C 861984441 QMLMXIDBERNJRR-RKDXNWHRSA-N 317.367 -0.412 30 20 DBED C#CC[C@H](COC)NC(=O)CNS(=O)(=O)CCOCC 863800315 BXVDYSYJOGRUGX-LLVKDONJSA-N 306.384 -0.903 30 20 DBED C#CCN1CCC[C@@H](NC(=O)NC[C@H]2CCCS2(=O)=O)C1 884226639 XULUOKNPBYGOKN-CHWSQXEVSA-N 313.423 -0.040 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)OC(C)(C)C)C[C@H]1CO 886349903 CWTWYJCCOZEOMO-LBPRGKRZSA-N 311.382 -0.351 30 20 DBED C#CCCN1CCN(C(=O)[C@]2(OC)CCS(=O)(=O)C2)CC1 895887076 XTERFPABNNNMFL-AWEZNQCLSA-N 314.407 -0.642 30 20 DBED C=C(C)CN(CC)C(=O)COC(=O)CCNS(C)(=O)=O 914649360 KJXPKSRYTSABIJ-UHFFFAOYSA-N 306.384 -0.107 30 20 DBED CC(=O)NCC(=O)NCC(=O)OCc1cc(C#N)ccc1F 917325811 NYCQLHPZVHVCCG-UHFFFAOYSA-N 307.281 -0.007 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@@H](C)S(C)(=O)=O 919350348 WPRDBQYOWILSEG-JGVFFNPUSA-N 306.340 -0.637 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)CS(=O)(=O)CCC 920629123 JBZOZFPVVHSCEA-SECBINFHSA-N 320.367 -0.245 30 20 DBED C#CCN1CCC[C@@H](NC(=O)CCS(=O)(=O)N(C)C)C1 923567434 SIGNHQHHBIHACL-GFCCVEGCSA-N 301.412 -0.518 30 20 DBED C=CCC1(O)CCN(C(=O)CN(C)S(=O)(=O)N(C)C)CC1 924435330 KEUZRNZYVQGNRV-UHFFFAOYSA-N 319.427 -0.346 30 20 DBED COc1cnc(C(=O)N[C@H]2CCN(C(=O)[C@H](C)C#N)C2)nc1 938356055 MXGJGLBGMFAUPV-ZJUUUORDSA-N 303.322 -0.024 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CCN(C(=O)[C@@H]3CCC(=O)N3)C2)c[nH]1 940098988 OZGJDABRWNWYKI-PWSUYJOCSA-N 315.333 -0.504 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCN(C(=O)[C@H]3CCNC3=O)CC2)C1 944997354 ZGEMVFMQXPSSRE-NEPJUHHUSA-N 318.377 -0.267 30 20 DBED N#Cc1ccc(C(=O)NC[C@H]2CCN2C(=O)[C@H]2CCC(=O)N2)[nH]1 949444885 POJIXWVYTGTDLQ-ZYHUDNBSSA-N 315.333 -0.504 30 20 DBED COc1cnc(C(=O)NC[C@@H]2CN(CC#N)C[C@@H]2O)c(F)c1 958127514 ZJLYMYKSSYZUAG-SKDRFNHKSA-N 308.313 -0.225 30 20 DBED C=CCN1C[C@@H](O)[C@H](CNC(=O)c2cnn3c2OCCC3)C1 958220275 WEOTWCSTDZHIDH-DGCLKSJQSA-N 306.366 -0.126 30 20 DBED C=CCN1C[C@@H](O)[C@H](CNC(=O)c2c(C)c[nH]c2CC(N)=O)C1 958409977 XUYJEHFFUNWANE-DGCLKSJQSA-N 320.393 -0.441 30 20 DBED C=CCN1C[C@H](O)[C@H](CNC(=O)c2ccnc3nc(C)nn23)C1 958586499 AIHQOSBSXJAWHM-YPMHNXCESA-N 316.365 -0.359 30 20 DBED C#CCCN1C[C@@H]2C(NC(=O)Cn3ccc(O)nc3=O)[C@H]2C1 960868987 ZVYJCKBSZZGHMW-QWRGUYRKSA-N 302.334 -0.981 30 20 DBED C[C@H](C#N)C(=O)N1CC2(C[C@@H](NC(=O)c3ncn(C)n3)CO2)C1 965696283 PEUHOMLJXHSYHC-NXEZZACHSA-N 318.337 -0.926 30 20 DBED CC#CCN1CC[C@H](C)[C@H](NC(=O)CN2CCOCC2=O)C1 966753599 PLCXPKBDOAYGJO-UONOGXRCSA-N 307.394 -0.305 30 20 DBED C=CCN1CC[C@@H](C)[C@H](NC(=O)CN2CC(=O)N(C)C2=O)C1 968539460 OJNCPJIAQBFMDF-VXGBXAGGSA-N 308.382 -0.107 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@@H](N[C@@H]2CCCNC2=O)C1 968954769 QEABYCGYEKVEIF-KFWWJZLASA-N 318.421 -0.447 30 20 DBED N#CCN1C[C@H]2CC[C@H]1CN2C(=O)Cc1ccc(C(N)=O)nc1 971520917 NCEBRMSIIVATSR-QWHCGFSZSA-N 313.361 -0.078 30 20 DBED C#CCCN1C[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)C(C)(C)C1 977458499 BQLKUWJUXRDPLI-GFCCVEGCSA-N 320.393 -0.270 30 20 DBED C=C(C)CN[C@H]1CN(C(=O)Cn2ncn(C)c2=O)CC1(C)C 995979206 MTMJMYURDCWTJD-LBPRGKRZSA-N 307.398 -0.016 30 20 DBED NC(=O)c1ccc(C(=O)NC2CN(C(=O)C#CC3CC3)C2)o1 996801833 HFVIEAAXSRBVDX-UHFFFAOYSA-N 301.302 -0.268 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)c3ccc(O)nn3)C2)nc1 997070061 OWOIRARUIQARJY-UHFFFAOYSA-N 323.312 -0.187 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)c2ccoc2CC(N)=O)C1 998521311 MUIINYLYZCXHEM-QMMMGPOBSA-N 304.306 -0.592 30 20 DBED N#CCN[C@@H]1CCCN(C(=O)Cn2nc3ccccn3c2=O)C1 999835299 HVHPINHGBIWXHL-GFCCVEGCSA-N 314.349 -0.400 30 20 DBED C=CCOc1cccnc1C(=O)NC1CN(C(=O)CC(N)=O)C1 1000193196 JQEQGLNPUFHWLU-UHFFFAOYSA-N 318.333 -0.538 30 20 DBED CO[C@H](C)C(=O)N1CCNC(=O)CCN(C(=O)[C@H](C)C#N)CC1 1001777503 PXBALAJVUZTVKW-VXGBXAGGSA-N 324.381 -0.642 30 20 DBED C[C@@H](C#N)C(=O)N1CC(CNC(=O)c2cccn3nnnc23)C1 1002106214 CFUZFCYWIIQPSC-VIFPVBQESA-N 313.321 -0.528 30 20 DBED CC1(C)CN(C(=O)CC(N)=O)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 1008079033 ZFWJNGHRYYPIHZ-LLVKDONJSA-N 317.349 -0.271 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](NC(=O)c2cnnn2C)C(C)(C)C1 1008092258 KKICGHKYSCXTBR-GXSJLCMTSA-N 304.354 -0.058 30 20 DBED Cc1ncnc(O)c1C(=O)N1CCN(C(=O)[C@@H](C)C#N)CC1 1012107751 UNKGWIQYMSSCMM-VIFPVBQESA-N 303.322 -0.065 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2C(NC(=O)c3nccnc3N)[C@H]2C1 1012877734 CFNAHWISYOZWIE-VGMNWLOBSA-N 300.322 -0.595 30 20 DBED C=CCCn1cc(C(=O)N[C@@H]2CCN([C@@H](C)C(N)=O)C2)nn1 1015821033 PVNSQDNXIZCFRZ-WDEREUQCSA-N 306.370 -0.468 30 20 DBED CO[C@@H](C)C(=O)N1CCC[C@H](C(=O)N2CCN(CC#N)CC2)C1 1018358108 LGVNBIFJJMOIIY-KBPBESRZSA-N 322.409 -0.072 30 20 DBED C=CC(C)(C)C(=O)N1CCC2(CN(C(=O)[C@H]3CNC(=O)N3)C2)C1 1019349021 CDVJDMNOUDYXOZ-LLVKDONJSA-N 320.393 -0.059 30 20 DBED CN1CC[C@H](N[C@H]2C[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)C1=O 1021948466 PKLVHLVFGSWBHT-TUAOUCFPSA-N 301.350 -0.033 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3C)C[C@H]2O)nn1 1023771323 RBAATOPXLBLHJK-PRULPYPASA-N 319.365 -0.578 30 20 DBED CC(=O)N1CCO[C@H](C(=O)N2CCC[C@H](N(C)CC#N)C2)C1 1027666740 JALUBOXZQCWVOA-KBPBESRZSA-N 308.382 -0.320 30 20 DBED Cc1nn(C)c(=O)c(C(=O)NC[C@@H]2CCN(CC#N)C2)c1C 1028726259 WAIVKPMKDVGBBQ-LBPRGKRZSA-N 303.366 -0.028 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)Cc3ccnn3C)C2)C1=O 1030259186 BFWCUBHYIXBGFC-CQSZACIVSA-N 317.393 -0.450 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)Cn3ccnc3)C2)C1=O 1031476465 PYFCWTNXHZULCG-CYBMUJFWSA-N 303.366 -0.530 30 20 DBED C=C(Br)CN1CC(CNC(=O)c2nnn(C)n2)C1 1031904940 PELRWKCZXSXVBT-UHFFFAOYSA-N 315.175 -0.220 30 20 DBED CC[C@@H](C(N)=O)N1CCO[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 1035338730 QXMUDLSDFZKEHS-OLZOCXBDSA-N 319.365 -0.419 30 20 DBED CC[C@H]1CN(C(=O)CN2CCN(C)C(=O)C2)CC[C@@H]1NCC#N 1037868775 JTBBSBBCYOKZAE-KBPBESRZSA-N 321.425 -0.499 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(O)(CNC(=O)c2cc(C)on2)C1 1041368359 DTKHZNOUOALUQM-CQSZACIVSA-N 323.349 -0.387 30 20 DBED Cc1cc(C(=O)NCC2(O)CN(C(=O)[C@H](C)C#N)C2)n(C)n1 1041746770 MYBJEEYFXVITRP-SECBINFHSA-N 305.338 -0.809 30 20 DBED CN1CC(=O)N(CC(=O)N2CC[C@H]3CCN(CC#N)[C@H]3C2)C1=O 1042346896 XWRFHHBQZMDQEF-NEPJUHHUSA-N 319.365 -0.673 30 20 DBED Cc1nccn1CC(=O)N1CC(O)(CNC(=O)C#CC(C)C)C1 1042941850 UPQVKBDIMYACMD-UHFFFAOYSA-N 318.377 -0.460 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)Cc2ccoc2)C1 1043040618 VDTKISXPSNZNAD-LBPRGKRZSA-N 320.345 -0.450 30 20 DBED C=CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)c2c[nH]nc2C)C1 1044351213 RWISUSXNXYQWKQ-LLVKDONJSA-N 322.365 -0.388 30 20 DBED N#Cc1nccc(N2C[C@H](O)[C@H](NC(=O)Cc3cnoc3)C2)n1 1044411509 WSCJKGCDYBXQPU-MNOVXSKESA-N 314.305 -0.755 30 20 DBED C[C@H]1OCC[C@@H]1C(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1045294041 VDYKTMSYIZCIHM-YPMHNXCESA-N 306.362 -0.486 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)c2c[nH]c(C#N)c2)C1 1045540569 ITWPCWHLYVVKTH-VIFPVBQESA-N 301.306 -0.651 30 20 DBED C#CCN1[C@H]2CC[C@H]1CN(C(=O)[C@@H]1CN(C(C)=O)CCO1)CC2 1045884878 VLLJTTNJUTUIQW-JYJNAYRXSA-N 319.405 -0.068 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)C(=O)N2CC[C@H](C)C2)C1 1046887553 NPWHAFBOPQTKDE-LBPRGKRZSA-N 323.393 -0.490 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)Cn2nc(C)ccc2=O)C1 1047605868 PUVJJLONAQEQJN-KBPBESRZSA-N 318.377 -0.921 30 20 DBED C=C(C)CN1C[C@H](O)[C@@H](N(C)C(=O)Cn2nc(C)ccc2=O)C1 1047606315 ZCVAFROOCUJABG-KBPBESRZSA-N 320.393 -0.369 30 20 DBED C=C(C)CN1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C(N)=O)ccn2)C1 1047659656 VLXSNQZATAWVFW-KBPBESRZSA-N 318.377 -0.126 30 20 DBED C=C[C@](C)(O)CC(=O)N(C)[C@H]1CN(C(=O)COCC)C[C@@H]1O 1048740456 DCLRTBFUIKSEPV-HUBLWGQQSA-N 314.382 -0.620 30 20 DBED CC#CCN1C[C@H]2CN(C(=O)[C@@H]3CCCS3(=O)=O)C[C@H]2C1 1049225195 QEQYEIRQMCVAFX-MJBXVCDLSA-N 310.419 -0.023 30 20 DBED N#Cc1ccc(NC2CC(CNC(=O)[C@@H]3CNC(=O)N3)C2)nc1 1052072656 OBRSJPWJVIZTFT-MCIGGMRASA-N 314.349 -0.059 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1CNC(=O)Cn1cncn1 1052554835 SICQJACNBIWPNP-TZMCWYRMSA-N 315.377 -0.098 30 20 DBED C#CCN1CC2(C1)CN(C(=O)[C@H]1CCn3cncc3C1)CCO2 1053314134 MPTMDAIDHBJAOF-AWEZNQCLSA-N 314.389 -0.008 30 20 DBED C#CCN1CC2(C1)CN(C(=O)[C@@H](C)N1CCCCC1=O)CCO2 1053540810 HPXCOYIBXHPUAQ-CQSZACIVSA-N 319.405 -0.066 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)[C@H]3CCCN(C(N)=O)C3)CO2)C1 1053864501 CFGMWNCXXCUDQV-STQMWFEESA-N 320.393 -0.630 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)[C@H]3C[C@H]3C(=O)N(C)C)CO2)C1 1053927349 ZJYYXXLRHLAUPL-MELADBBJSA-N 319.405 -0.307 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)[C@@H]3CCCC(=O)N3C)CO2)C1 1053997932 ZWAUMLMQXGYNOZ-KGLIPLIRSA-N 319.405 -0.020 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)[C@H]3CCCN3C(C)=O)CO2)C1 1054019578 YPRGHEXRBRAQDE-ZIAGYGMSSA-N 305.378 -0.410 30 20 DBED C#CCOCCC(=O)N1C[C@H]2CN(C(=O)c3cnon3)C[C@H]2C1 1055337779 GGGLAAUBQOVNNP-TXEJJXNPSA-N 318.333 -0.360 30 20 DBED C[C@@H](C#N)C(=O)NCCN1CCC(NC(=O)c2cnon2)CC1 1055631559 IFYWAETZBJSOLG-JTQLQIEISA-N 320.353 -0.460 30 20 DBED N#Cc1ccc(N2C[C@H]3C(NC(=O)C45CCN(CC4)C5)[C@@H]3C2)nn1 1056268764 WWPNSRWNXDFKHK-CHWSQXEVSA-N 324.388 -0.005 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCN(CCO)C(=O)[C@H](C)OCC 1057057931 IDABRVSSZNECLW-SWLSCSKDSA-N 316.398 -0.324 30 20 DBED C#Cc1ccc(C(=O)NCCN(CCO)C(=O)[C@H](C)OC)cn1 1057108619 DBLRDRKQOHMYTJ-LBPRGKRZSA-N 319.361 -0.352 30 20 DBED N#Cc1nccnc1N1CCCN(C(=O)Cn2ncnn2)CC1 1057182463 JMQHCVZQRPKYDX-UHFFFAOYSA-N 313.325 -0.926 30 20 DBED C#CCO[C@H](C)C(=O)N(CCO)CCNC(=O)c1conc1C 1057584924 RYWZXZVRGDWNBH-GFCCVEGCSA-N 323.349 -0.428 30 20 DBED C=CCO[C@H](C)C(=O)N(CCO)CCNC(=O)C[C@@H](C)OC 1057921403 GWGGQVXQBITOLW-CHWSQXEVSA-N 316.398 -0.060 30 20 DBED C[C@]1(C(=O)N2CC[C@H](Nc3cnc(C#N)cn3)C2)CNC(=O)C1 1059007670 JGEOKLMZQLCOOU-ZUZCIYMTSA-N 314.349 -0.113 30 20 DBED N#CCSCC(=O)NC[C@H]1COCCN1C(=O)c1cn[nH]c1 1061317883 LUOZYYISYSLVSG-NSHDSACASA-N 323.378 -0.376 30 20 DBED C[C@@H](C#N)C(=O)N1CCCC[C@@H]1CNC(=O)CCn1cnnn1 1062333345 NUJIAVNAAGMIBM-NWDGAFQWSA-N 319.369 -0.280 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(NC(=O)[C@@H]2CCNC2=O)CCC1 1062870988 RRGCNTLFSZNGPN-ABAIWWIYSA-N 323.393 -0.395 30 20 DBED N#Cc1nccc(N2CCO[C@@H](CNC(=O)c3cocn3)C2)n1 1063619888 JPAFYRPEQLNXLF-JTQLQIEISA-N 314.305 -0.029 30 20 DBED C=CCOCC(=O)NC1(CNC(=O)Cn2cncn2)CCC1 1064595712 JGNLNEBCGOXNRF-UHFFFAOYSA-N 307.354 -0.364 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)[C@@H](C)OCC)CCO1 1064890383 AFYGGNMANHRSLA-CHWSQXEVSA-N 314.382 -0.042 30 20 DBED CO[C@@H](C)C(=O)NC[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCO1 1065020807 KTYCBFUMHCKEAO-CMPLNLGQSA-N 320.349 -0.122 30 20 DBED C=CCCOCC(=O)N(C)CCCN(C)C(=O)CNC(N)=O 1066775791 GANFKLFYQORWQK-UHFFFAOYSA-N 314.386 -0.446 30 20 DBED N#Cc1cncc(N2C[C@H]3CC[C@H]2CN3C(=O)c2cnn[nH]2)n1 1068071856 KLUOJXUIEVCKIL-WDEREUQCSA-N 310.321 -0.040 30 20 DBED C=CCOCC(=O)N[C@@H]1COC2(C1)CN(C(=O)[C@@H](C)C#N)C2 1068764361 OZWWKGVYDOHITK-RYUDHWBXSA-N 307.350 -0.165 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H]2CN(C)CCO2)C1 1069905891 VJZGRNRAWRWDRJ-RDBSUJKOSA-N 320.397 -0.864 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)C2CN(C(C)=O)C2)C1 1069912936 HSGIGOSMLHOFDI-KGLIPLIRSA-N 318.381 -0.716 30 20 DBED CC(C)C#CC(=O)N1CCC[C@@H](NC(=O)[C@H](C)NC(N)=O)C1 1070703118 FVEMKPMBSXPFCU-NWDGAFQWSA-N 308.382 -0.190 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)[C@@H]2COCCN2C)CC1 1070957418 CLFYRHSTMIFXHN-AWEZNQCLSA-N 324.425 -0.847 30 20 DBED CCOC1CC(C(=O)N2CCC(=O)NCCN(CC#N)CC2)C1 1070960978 FSNZPKNLZJORJN-UHFFFAOYSA-N 322.409 -0.024 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)Cn2ccnc2)CC1 1071024269 LYFFKRDZOXFMKZ-UHFFFAOYSA-N 305.382 -0.280 30 20 DBED CC#CCN1C[C@H](NC(=O)CN2CCN(C)C(=O)C2)CC[C@H]1C 1071619737 UAYSRNHAYUUJPX-HUUCEWRRSA-N 320.437 -0.247 30 20 DBED C#CCOCCC(=O)N1C[C@H](C)[C@@H](NC(=O)c2cnn[nH]2)C1 1072094240 QTZQPFKSKFZKFR-JQWIXIFHSA-N 305.338 -0.579 30 20 DBED C#CCOCCC(=O)N1C[C@@H](NC(=O)CNC(C)=O)[C@H](C)C1 1072096496 AHBLIUVRYSXBFZ-DGCLKSJQSA-N 309.366 -0.875 30 20 DBED C#CCOCCC(=O)N[C@H]1CN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C[C@H]1C 1072550957 HDZKZAZGVICQEX-NJURLYQPSA-N 320.389 -0.118 30 20 DBED C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)CC[C@@H]1NC(=O)CC(N)=O 1073838584 DBROEFRSUDKXIN-KOLCDFICSA-N 317.349 -0.271 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CCN(C(=O)CCOC)C[C@H]1C 1073891193 MYMLBZKVFZDGGT-OLZOCXBDSA-N 323.393 -0.484 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CCN(C(=O)[C@H]2CCOC2)CC1 1074506851 XAERRPMPFDSXMG-NEPJUHHUSA-N 309.366 -0.348 30 20 DBED C=CCCC(=O)N1CCC(O)(CNC(=O)[C@@H]2CCNC2=O)CC1 1074511347 FEKGZVLMRAADDV-GFCCVEGCSA-N 323.393 -0.442 30 20 DBED CC(C)C#CC(=O)NCC[C@H](C)NC(=O)C1CC(=O)NC(=O)C1 1076411621 PXNWCXGMWZERDU-NSHDSACASA-N 321.377 -0.290 30 20 DBED O=C1NCCC[C@H]1NC[C@H]1CN(C(=O)C#CC2CC2)CCCO1 1078398923 VDVANMJDWDWBLD-LSDHHAIUSA-N 319.405 -0.115 30 20 DBED Cn1c(O)ncc(C(=O)N[C@@H]2C[C@H](NCC#N)C23CCC3)c1=O 1078697678 GGPNXDVBBYRJTM-WDEREUQCSA-N 317.349 -0.360 30 20 DBED C#CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)Cn2ccnc2)C1 1079774719 JUECCVNWXCZBGK-CYBMUJFWSA-N 318.377 -0.019 30 20 DBED CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)CCc2nc[nH]n2)C1 1080411304 JCBKWTGKRGNZEH-JTQLQIEISA-N 304.354 -0.044 30 20 DBED CCOCC(=O)NC[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1O 1081219670 ASPZJFWANZLKTP-ZWNOBZJWSA-N 320.349 -0.528 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(C(=O)Cc2ccc[nH]2)C[C@H]1O 1081475146 XRFHIASGSSBIEJ-DZGCQCFKSA-N 315.373 -0.094 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cncn2C)C1 1081582700 LBFJDLOGCZEHBV-WCQYABFASA-N 306.366 -0.065 30 20 DBED C#CCCN1C[C@@H](NC(=O)c2ccn(CCOC)n2)[C@H](OC)C1 1081929463 PAQUYQLNIMPFLS-HUUCEWRRSA-N 320.393 -0.018 30 20 DBED C=CCCN1C[C@@H](NC(=O)CN2CCC(=O)NC2=O)[C@H](OC)C1 1082307331 YTDCLYODDJJKBF-VXGBXAGGSA-N 324.381 -0.680 30 20 DBED CC#CCN1C[C@@H](NC(=O)[C@@H]2CCCN2C(C)=O)[C@H](OC)C1 1082334959 NZDHWBSEMLHJFZ-QLFBSQMISA-N 307.394 -0.164 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](NCCN2C(=O)CCC2=O)[C@H](C)C1 1082448526 UJCRGKXXOROMJL-IJLUTSLNSA-N 306.366 -0.268 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@H]2CN3CC4CC3(CO2)C4)C[C@H]1C 1082653707 ZINJGYMAVQSOEH-RJZXRHAOSA-N 303.406 -0.081 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CCc2nc[nH]c2C1 1083243295 UUZIMJFIMJUWHT-TUKIKUTGSA-N 315.377 -0.050 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 1083781536 LGYSYFKEDQTGEF-WWGRRREGSA-N 311.401 -0.007 30 20 DBED C#CCOc1ccc(C(=O)N[C@@H]2CN(C[C@@H](C)O)C[C@@H]2O)cc1 1083842562 SDQWBTXFXXUYNY-WQVCFCJDSA-N 318.373 -0.146 30 20 DBED C#CCN[C@H]1CCCCCN(C(=O)CN2C(=O)CNC2=O)C1 1088423140 LDHRXBVZDXETEH-LBPRGKRZSA-N 306.366 -0.468 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)Cn1ncnn1)Nc1nccnc1C#N 1089400733 PHRXSDAEHCSHCJ-ZJUUUORDSA-N 315.341 -0.270 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2cn(CCOC)nn2)[C@@H](O)C1 1090255145 DFTKJEOGNRVRHI-JSGCOSHPSA-N 321.381 -0.887 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2cc(OC)nc(OC)c2)[C@H](O)C1 1090396292 ISSCXJCUWHBYJN-CHWSQXEVSA-N 319.361 -0.103 30 20 DBED N#Cc1nccnc1N1C[C@@H](O)[C@H](NC(=O)CC2(O)CCC2)C1 1090410584 FCZFPGAOZYZQGA-VXGBXAGGSA-N 317.349 -0.681 30 20 DBED CC#CCN1CC[C@@H](NC(=O)C(=O)N2CCC(C)CC2)[C@H](O)C1 1090629109 FOXXYFIEBPANKX-HUUCEWRRSA-N 321.421 -0.180 30 20 DBED CCNC(=O)CC(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1C 1090702834 QUMRUROBAIHEDW-GHMZBOCLSA-N 316.365 -0.185 30 20 DBED N#Cc1nc(=N[C@H]2C[C@@H](CNC(=O)Cn3cccn3)C2)cc[nH]1 1091312454 IOGLBZRXJIUMFE-TXEJJXNPSA-N 311.349 -0.026 30 20 DBED COCC(=O)NCCC(=O)NCCNc1ccc(C#N)c(C)n1 1094197456 YTROAEVVFONTLJ-UHFFFAOYSA-N 319.365 -0.058 30 20 DBED Cc1ccc(C#N)c(NCCNC(=O)c2nnc(O)nc2O)n1 1094253254 IBRHMALVAILNOH-UHFFFAOYSA-N 315.293 -0.300 30 20 DBED N#Cc1nc(=NCCNC(=O)C[C@@H]2CCCC(=O)N2)cc[nH]1 1094259560 OYEDMFGYQFVISM-JTQLQIEISA-N 302.338 -0.643 30 20 DBED C#CCN1CC(n2cc(CNC(=O)c3ccnn3CC)nn2)C1 1094286740 OXBWPTGXSXXPDA-UHFFFAOYSA-N 313.365 -0.086 30 20 DBED CN(c1ccnc(C#N)n1)[C@H]1CCN(C(=O)CCNC(N)=O)C1 1095117776 YSMLBUZBSBLVSS-JTQLQIEISA-N 317.353 -0.556 30 20 DBED CNC(=O)NCC(=O)N1CC[C@H](N(C)c2ccc(C#N)nn2)C1 1095157137 QHIJDVKTMUVLNN-NSHDSACASA-N 317.353 -0.686 30 20 DBED CN(CCCNC(=O)CCn1cncn1)c1cnc(C#N)cn1 1095479548 OQXMEZMCTWYYAW-UHFFFAOYSA-N 314.353 -0.027 30 20 DBED CNS(=O)(=O)CC(=O)N[C@H]1C[C@@H](Nc2ncccc2C#N)C1 1097186780 RAOWRGVDYDXDPJ-PHIMTYICSA-N 323.378 -0.438 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H]1C[C@@H](Nc2ccc3nnnn3n2)C1 1097221022 JSQVPMMKEOKIAB-MXWKQRLJSA-N 315.337 -0.383 30 20 DBED Cc1nsc(N[C@H](C)CNC(=O)Cn2ncnn2)c1C#N 1098084613 PJUBSURGLBMHAX-SSDOTTSWSA-N 306.355 -0.074 30 20 DBED CCc1nc(C#N)cc(N[C@@H](C)CNC(=O)[C@H]2CNC(=O)N2)n1 1098249896 DKOXYICSNZMTKU-WCBMZHEXSA-N 317.353 -0.491 30 20 DBED C#CCN(CCO)C1CCN(C(=O)COCCCOC)CC1 1098526301 GVQXQTGHQKYJDQ-UHFFFAOYSA-N 312.410 -0.042 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(CCOCCOC)C[C@H]1O 1099739044 WCTOKKFIAJKEJY-UONOGXRCSA-N 316.398 -0.597 30 20 DBED N#Cc1cccc(CN2CC[C@H](NC(=O)CC(N)=O)[C@@H](O)C2)c1 1099744034 QVTZBPMJYFKGGR-KBPBESRZSA-N 316.361 -0.515 30 20 DBED CC1(CC(=O)N[C@H]2CCN(CC(=O)NCC#N)C[C@H]2O)CC1 1099927911 GDUJBHMLBGLFPG-NWDGAFQWSA-N 308.382 -0.632 30 20 DBED CN(CCNC(=O)CN1C(=O)CCC1=O)c1nccnc1C#N 1100107074 SBLLPRZJAGCFMI-UHFFFAOYSA-N 316.321 -0.950 30 20 DBED C=CCn1cc(C(=O)NCCN(C)c2cnc(C#N)cn2)nn1 1100360580 WTSYLYAHEDEJPB-UHFFFAOYSA-N 312.337 -0.008 30 20 DBED CN(CCNC(=O)[C@H]1CCC(=O)NC1)c1ccc(C#N)nn1 1100404007 HYOYTSWBBFSNCR-JTQLQIEISA-N 302.338 -0.573 30 20 DBED CC[C@H](CNC(=O)[C@H]1CN(C)C(=O)N1)N=c1cc[nH]cc1C#N 1103261585 QBQNBRLTMALMMY-DGCLKSJQSA-N 316.365 -0.295 30 20 DBED C[C@](CN=c1cc[nH]cc1C#N)(NC(=O)CC(N)=O)C1CC1 1103507094 PPXWQOTXMBCMBZ-OAHLLOKOSA-N 301.350 -0.053 30 20 DBED C[C@H](CN=c1cc[nH]cc1C#N)CNC(=O)[C@H]1CN(C)CCO1 1103889727 GSUSTOIYPHWRPW-IUODEOHRSA-N 317.393 -0.130 30 20 DBED N#CCNCc1cn(C2CN(C(=O)c3ccc(O)nc3)C2)nn1 1105369883 PAFDOESAXQLOGW-UHFFFAOYSA-N 313.321 -0.311 30 20 DBED Cc1cc(=NC[C@H](O)CNC(=O)COC(C)C)c(C#N)c[nH]1 1105732740 XOGACYAPZBGYDL-ZDUSSCGKSA-N 306.366 -0.002 30 20 DBED Cc1nc(NC[C@H](O)CNC(=O)[C@H]2COC(=O)N2)ccc1C#N 1105836123 ZAQNXIWDCVSLRE-WDEREUQCSA-N 319.321 -0.741 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)c2ccc(O)nc2)nn1 1105847517 CNVYOQWJXALIKC-NSHDSACASA-N 314.305 -0.348 30 20 DBED CC(C)[C@@H](C(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1)N(C)C 1105917429 IDKBFZJLDXJKFO-RISCZKNCSA-N 320.397 -0.755 30 20 DBED Cc1ncccc1C(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1 1105934074 AHUUEEMOBHERCY-NSHDSACASA-N 312.333 -0.324 30 20 DBED COC[C@H](C)CC(=O)NC[C@@H](O)CNc1ccc(C#N)nn1 1105940784 JMOCBFDYYOCAKZ-PWSUYJOCSA-N 307.354 -0.090 30 20 DBED COC[C@@H](C)CC(=O)NC[C@H](O)CNc1cncc(C#N)n1 1105941424 XQZUYJQFAXFTNZ-CMPLNLGQSA-N 307.354 -0.090 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)CCn2ncn(C)c2=O)C[C@H]1C 1106470704 GZFDLJQNEJYNEI-ZIAGYGMSSA-N 319.409 -0.321 30 20 DBED C[C@@H]1CN(C(=O)c2ccnnc2)C[C@H]1CNCC(=O)NCC#N 1106695717 MPZJJFQUHQXRPL-DGCLKSJQSA-N 316.365 -0.586 30 20 DBED N#Cc1ccc(NC/C=C\CNC(=O)CNC(=O)C2CC2)nn1 1107061803 SIURZKGYAHYCER-UPHRSURJSA-N 314.349 -0.041 30 20 DBED C#CCN1CC(n2cc(CNC(=O)CNC(=O)CCC)nn2)C1 1107140606 MDWUVYHMJHKSQE-UHFFFAOYSA-N 318.381 -0.700 30 20 DBED CNC(=O)NCC(=O)NC/C=C/CNc1cncc(C#N)n1 1107572148 SVPAKIVDMRTHLM-NSCUHMNNSA-N 303.326 -0.638 30 20 DBED C[C@H](C#N)C(=O)NC[C@@]1(C)CN(Cc2cnn(C)n2)CCO1 1107819439 PFVNQMBJHZOGDX-RISCZKNCSA-N 306.370 -0.318 30 20 DBED C[C@]1(CNC(=O)C#CC2CC2)CN([C@H]2CCNC2=O)CCO1 1107933018 WUIWMIUWRLGCGV-BBRMVZONSA-N 305.378 -0.505 30 20 DBED C=C(C)CN1CC(N2C[C@H](NC(=O)CN(C)C(C)=O)CC2=O)C1 1108511161 MDBZCGJAXZAWRU-CYBMUJFWSA-N 322.409 -0.558 30 20 DBED C[C@@H](CN(C)c1nccnc1C#N)NC(=O)[C@H](C)NC(N)=O 1108915257 HRIKQSDGSDVONX-IUCAKERBSA-N 305.342 -0.654 30 20 DBED CNC(=O)NCCC(=O)N[C@@H](C)CN(C)c1ccc(C#N)nn1 1108934960 NWEHKWDWFVQYMW-JTQLQIEISA-N 319.369 -0.392 30 20 DBED C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCN1CCNC1=O 1109071398 ZNPKBJDJEYJROE-RDBSUJKOSA-N 322.409 -0.064 30 20 DBED C[C@@H](CN(C)c1cncc(C#N)n1)NC(=O)[C@@]1(C)CCNC1=O 1109240523 NWKHLHRWGGMHAN-BONVTDFDSA-N 316.365 -0.185 30 20 DBED COC1CC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCC#N)C1 1109432420 QBMIMCLXBIXILE-UTAXJDLNSA-N 320.393 -0.227 30 20 DBED CN(CCCN(C)c1cncc(C#N)n1)C(=O)Cc1nc[nH]n1 1112121712 ATTIGUOSVUWGMA-UHFFFAOYSA-N 314.353 -0.006 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)c2nccn2CC)CC1 1112806900 WTWQVLCMYVYACH-ZDUSSCGKSA-N 317.393 -0.201 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)c2[nH]c(O)nc2C)CC1 1112991715 SZZZFNPMNDNQKZ-LLVKDONJSA-N 321.381 -0.128 30 20 DBED C[C@H](N=c1cc[nH]c(C#N)n1)[C@@H](C)NC(=O)CCCC(N)=O 1113077627 QGRJCPHAECYJSJ-VHSXEESVSA-N 304.354 -0.269 30 20 DBED C[C@H](N=c1cc[nH]cc1C#N)[C@H](C)NC(=O)CCn1cnnn1 1113124203 KDTPHNJQEZBPFG-QWRGUYRKSA-N 314.353 -0.243 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)[C@]2(F)CCOC2)CC1 1113257492 WSEHJTDPUAOEBW-DOMZBBRYSA-N 311.357 -0.603 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)Cc2cncn2C)CC1 1113538386 LRXHJILRWCICHY-ZDUSSCGKSA-N 319.409 -0.203 30 20 DBED C[C@@H](CNC(=O)[C@H]1CNC(=O)N1)N(C)c1ccncc1C#N 1113869693 QVNILTARPKIVNS-GXSJLCMTSA-N 302.338 -0.424 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@@H]3CCCCN3C)[C@H]2C1 1114465660 IXXOUUATEKIWTF-KNCOVGOOSA-N 320.437 -0.181 30 20 DBED CNC(=O)CC(=O)NCC1[C@@H]2CN(c3ncccc3C#N)C[C@@H]12 1114529757 DPHPWINSCLFPAJ-STQMWFEESA-N 313.361 -0.112 30 20 DBED C[C@@H](CCCNc1nccnc1C#N)NC(=O)[C@H]1CNC(=O)N1 1115062459 TURSLFAQTAIUKE-GXSJLCMTSA-N 317.353 -0.274 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)COCCC=C)[C@H]2C1 1115330214 IUHWHZRIZDMOAC-IHRRRGAJSA-N 319.405 -0.237 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)CCCOC(C)C)[C@H]2C1 1115345595 INPXBJFHWPQOKQ-HALDLXJZSA-N 321.421 -0.013 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)NCCC(C)(C)F 1118646095 JEEZFTHYJIHTKU-UHFFFAOYSA-N 308.375 -0.042 30 20 DBED C#CCSCC(=O)NS(=O)(=O)[C@H](C)[C@@H](C)C(=O)OC 1119488190 PEDPPKZRAORXMB-RKDXNWHRSA-N 307.393 -0.004 30 20 DBED CC1(O)CCC(NC(=O)C(=O)N2CC[C@](O)(CC#N)C2)CC1 1119788456 LUFOVNLGEUZKOV-WDIPEOLASA-N 309.366 -0.327 30 20 DBED N#Cc1cnc(N[C@H](CO)CNC(=O)c2cc[n+]([O-])cc2)cn1 1121009792 DFVMLKMIIOANSI-LBPRGKRZSA-N 314.305 -0.816 30 20 DBED Cc1ccc(C#N)c(N[C@H](CO)CNC(=O)Cn2cncn2)n1 1121536030 KRWZHCCGRYVZSY-LBPRGKRZSA-N 315.337 -0.558 30 20 DBED COC[C@H](C)CC(=O)NC[C@H](CO)Nc1nccnc1C#N 1121984562 JFBAPEIADYVHAT-GHMZBOCLSA-N 307.354 -0.090 30 20 DBED CCc1nc(C#N)cc(NC[C@@H](O)CN(C)C(=O)CC(N)=O)n1 1124201639 WBKVUUAKJXYJFS-SNVBAGLBSA-N 320.353 -0.983 30 20 DBED CN(C[C@@H](O)CNc1ccc(C#N)nc1)C(=O)[C@@H]1COC(=O)N1 1124270846 FMAJVEQXZQQOLF-RYUDHWBXSA-N 319.321 -0.707 30 20 DBED CN(C[C@H](O)CNc1ncccc1C#N)C(=O)c1ncn(C)n1 1124295497 DCOOKMDFKWHANE-LLVKDONJSA-N 315.337 -0.373 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)[C@]1(F)CCOC1 1124665941 WPPGYPQETKIXLR-HZMBPMFUSA-N 323.328 -0.870 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@@H]1CC(=O)N(CC(C)C)C1 1128680144 PHTBMGAKWPXQLG-CYBMUJFWSA-N 324.425 -0.501 30 20 DBED C[C@H](CC(N)=O)C(=O)NCc1c[nH]nc1[C@H]1CCN(CC#N)C1 1130415809 PWYZZRBTHLOCOD-MNOVXSKESA-N 318.381 -0.150 30 20 DBED C=CCCC(=O)N1C[C@@H](NCC(N)=O)[C@H](c2cn(C)cn2)C1 1130535648 VRMVDMOEQSLGOR-WCQYABFASA-N 305.382 -0.244 30 20 DBED CC(C)OCC(=O)NCc1nc([C@@H]2COCCN2CC#N)n[nH]1 1130831807 OTMUZELZJIVTKA-NSHDSACASA-N 322.369 -0.257 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)c1cncn1C 1130896811 MIXPGEMXTJVSCO-UHFFFAOYSA-N 306.370 -0.498 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)Cc1cc(C)nn1C 1131287062 MAJKSOBFJKCRER-GFCCVEGCSA-N 307.398 -0.332 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)c1ccn2nnnc2c1 1132278366 VMTCFIVOMPXPOT-SNVBAGLBSA-N 317.353 -0.866 30 20 DBED C=CCNC(=O)CN1C[C@H](NC(=O)c2cnn(C)n2)CC[C@H]1C 1132342516 BADXPWWMQYJPFU-VXGBXAGGSA-N 320.397 -0.300 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)[C@@H](C)OCC)C2 1147049372 LZIWTBYTNLVVHV-CYBMUJFWSA-N 307.394 -0.305 30 20 DBED CCNC(=O)CC(=O)N1CC2(CCN(CC#CCOC)C2)C1 1147387018 PLCWNKUFNBXXFR-UHFFFAOYSA-N 307.394 -0.303 30 20 DBED COCC#CCN1CCC2(C1)CN(C(=O)C[C@H]1CCNC1=O)C2 1147703786 MKKMTBLTAKZKGQ-CQSZACIVSA-N 319.405 -0.303 30 20 DBED COCC#CCN1CCCO[C@@H](CNC(=O)[C@H]2CCCN2C)C1 1149400279 VOJUKBMLSJRISW-JKSUJKDBSA-N 323.437 -0.063 30 20 DBED C=CCN1CCCO[C@@H](CNC(=O)CC2CS(=O)(=O)C2)C1 1149931348 ZOIJNHIWDLFHGQ-ZDUSSCGKSA-N 316.423 -0.186 30 20 DBED N#Cc1cccc(CNCCNC(=O)CN2C(=O)CNC2=O)c1 1150344874 LNEYRXKQVGYZAV-UHFFFAOYSA-N 315.333 -0.684 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)NCCNCc1nc(C)no1 1152398689 FVJMHCOWXTYXFF-UHFFFAOYSA-N 324.385 -0.152 30 20 DBED C#CCOCCC(=O)NCCCNC[C@H](O)Cn1cccn1 1157870199 YMTOZRFUCFWXJT-AWEZNQCLSA-N 308.382 -0.620 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)c1cn2c(n1)CCC2 1158343900 SWBCFEXHGGOUKD-LBPRGKRZSA-N 317.393 -0.323 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1ccc2nc[nH]c2n1 1160752150 GUYKLGLQEIOTKM-UHFFFAOYSA-N 314.349 -0.583 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)[C@@H]1CCC(=O)NC1 1161638133 MVJOZTXAULGSSU-VXGBXAGGSA-N 310.398 -0.701 30 20 DBED C#CCNC(=O)CNCC1(CCNC(=O)[C@@H]2COCCO2)CC1 1163515464 IWIWTWFETVYALQ-ZDUSSCGKSA-N 323.393 -0.973 30 20 DBED CCCN1C[C@@H](C(=O)NCCCNCC#CCOC)CC1=O 1167429744 WUOIAPJSCKXMGG-AWEZNQCLSA-N 309.410 -0.009 30 20 DBED CN(C)CCOCC(=O)N1CC[C@H]2OCCN(CC#N)[C@@H]2C1 1177139326 QPEXLDBSNFWZHK-ZIAGYGMSSA-N 310.398 -0.610 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](NCc2noc(CC)n2)C1 1182134757 VTQJEWKLGSOTIM-LLVKDONJSA-N 319.365 -0.538 30 20 DBED CCc1c(C(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)cnn1C 1183922940 ZKLHLYOWEYRMGA-LLVKDONJSA-N 318.381 -0.574 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)C2=COCCO2)C1 1188716548 HKBSZGRSYWGRGH-GFCCVEGCSA-N 309.366 -0.291 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2[nH]c(O)nc2C)C1 1190807761 AQKVYOGIZIWCPA-LLVKDONJSA-N 321.381 -0.128 30 20 DBED C=CCCCC(=O)N[C@@H]1CN([C@H](C)C(=O)NC(N)=O)C[C@H]1O 1195724984 HAYRZCXSPLRKNS-GMTAPVOTSA-N 312.370 -0.913 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 1202354259 XIKIVEAEUMCWIV-MRXNPFEDSA-N 322.453 -0.097 30 20 DBED C=C(C)CNCC1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)CC1 1205479171 BXVWAJMVQDXFIP-LBPRGKRZSA-N 308.382 -0.011 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2ccc(C)nn2)[C@H](C)C1 1206943763 DLFRQGDCTXJYDV-BXUZGUMPSA-N 315.377 -0.415 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCCN(C(=O)c2cnn(C)c2)C1 1207251479 JQIDDDGEUTVCSW-GXTWGEPZSA-N 317.393 -0.248 30 20 DBED CCn1cc(C(=O)N2CCC[C@H](NCC(=O)NCC#N)C2)cn1 1207701580 NLYKYAAQQCEIPU-ZDUSSCGKSA-N 318.381 -0.263 30 20 DBED C#CCCN1C[C@@H](NC(=O)CN(C)CC(=O)NC(C)C)[C@H](C)C1 1207862593 LHMCMZARWKHEJI-HUUCEWRRSA-N 322.453 -0.097 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)CCc2ncc[nH]2)C1 1207925012 VHHRBPUVQQHOIN-CYBMUJFWSA-N 317.393 -0.328 30 20 DBED C#CCOCCC(=O)N1CCC[C@H](N[C@H](C)C(=O)NC(N)=O)C1 1208029327 TUGYWQKEZLYXTR-NEPJUHHUSA-N 324.381 -0.810 30 20 DBED C#CCN1C[C@@H](NC(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)[C@H](C)C1 1208033690 WOHDJAHFNWRBFJ-SYQHCUMBSA-N 307.394 -0.131 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2CCCCN2C)C1 1208423478 LJBAGFBQVJMLQU-GJZGRUSLSA-N 320.437 -0.199 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)Cc2cnc[nH]2)C1 1209837274 PAMZVRFELPOUOV-CHWSQXEVSA-N 317.393 -0.329 30 20 DBED CC#CCN1C[C@@H](NC(=O)[C@@H](OC)c2cnn(C)c2)[C@H](OC)C1 1213228209 MLNKULZUHRAOEJ-KFWWJZLASA-N 320.393 -0.054 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@@H](CC(=C)C)NC(C)=O)[C@H](OC)C1 1213537499 KVTCFKBPVRQYSS-RBSFLKMASA-N 307.394 -0.094 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@@H](NCc2ncnn2C)[C@H](C)C1 1214602065 JPLDIIZTUSTVPU-JHJVBQTASA-N 305.382 -0.210 30 20 DBED CCO[C@@H](C(=O)N1C[C@@H](NCC(=O)NCC#N)[C@H](C)C1)C1CC1 1214646532 UNVIZTNMMGEWPK-UXIGCNINSA-N 322.409 -0.122 30 20 DBED C=CCCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CNC(=O)NC 1218065729 GMBWXEKKOQGDND-QWHCGFSZSA-N 310.398 -0.207 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CN(Cc2cn(C(C)(C)C)nn2)C[C@@H]1O 1219381321 OXGLMMDYRXZNQF-RTXFEEFZSA-N 320.397 -0.146 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)CC2(OC)CCC2)C1 1219534898 URZHLEQUIQRYCL-KGLIPLIRSA-N 310.394 -0.243 30 20 DBED C[C@@H](NC(=O)C1CCCC1)C(=O)N[C@@H]1CN(CC#N)C[C@@H]1O 1219683117 RAXIOYGOXONBNE-RTXFEEFZSA-N 308.382 -0.634 30 20 DBED CCO[C@@H](C(=O)N[C@@H]1CN(CC#N)C[C@@H]1O)C1CCOCC1 1220085565 FBDBNAJLESGYSD-HZSPNIEDSA-N 311.382 -0.497 30 20 DBED CC#CCCCC(=O)N[C@@H]1CN(CCn2cncn2)C[C@@H]1O 1220186075 WYZLLFPHIWJANH-KGLIPLIRSA-N 305.382 -0.367 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)CCS(=O)(=O)N(C)C)C1 1221060220 QNPRIIWJKLTYHY-NEPJUHHUSA-N 319.427 -0.995 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H]2CCN(CCOCC)C[C@H]21 1221496330 TVRWDJULUDHRBQ-ZIAGYGMSSA-N 307.394 -0.305 30 20 DBED C#CCCN1CCC(NC(=O)COCc2nncn2C)CC1 1229858869 USFKTKPFCPKAHU-UHFFFAOYSA-N 305.382 -0.064 30 20 DBED C#CCN1CCS(=O)(=O)[C@@H](CCNC(=O)[C@@H](C)OCC)C1 1230425266 HHLQGMKFYHRHMN-OLZOCXBDSA-N 316.423 -0.350 30 20 DBED N#CCN1CCS(=O)(=O)[C@@H](CCNC(=O)c2cnco2)C1 1230477171 KLTHMMNFQJMZJQ-JTQLQIEISA-N 312.351 -0.583 30 20 DBED N#CCNC(=O)CN[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 1266519406 JOBSFECHXQFXCL-NSHDSACASA-N 300.322 -0.670 30 20 DBED C=CCn1cc(CNC(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)nn1 1325897027 QQZWHQAIINHQLZ-WDEREUQCSA-N 308.342 -0.704 30 20 DBED C=CCCn1cc(C(=O)N2CCC[C@]3(C2)NC(=O)NC3=O)nn1 1326614142 ISXXJQMJTOHWJT-CQSZACIVSA-N 318.337 -0.332 30 20 DBED Cc1cc(NC(=O)C(=O)NC[C@]2(O)CCO[C@@H]2C)ncc1C#N 1327619427 PJVBSOHHEHFMHD-MEBBXXQBSA-N 318.333 -0.144 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CCC[C@@H]([C@@H](C)O)C2)nn1 1332058432 RDESDZRMIHWJKK-VXGBXAGGSA-N 321.381 -0.300 30 20 DBED C=CC[C@@H](NC(=O)CN1CCS(=O)(=O)CC1)C(=O)OCC 1337796156 RHFONCJDVDLGRN-LLVKDONJSA-N 318.395 -0.659 30 20 DBED C#CCNC(=O)C1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 1340088767 SNXLCRBZXMYFSY-UHFFFAOYSA-N 305.294 -0.081 30 20 DBED C=CCn1c(CCOC)nnc1N1CCS(=O)(=O)CC1 1340389020 ADIVVRHWVSNCGN-UHFFFAOYSA-N 300.384 -0.112 30 20 DBED N#C[C@H]1CCCN(C(=O)C(=O)NC[C@H]2CC(=O)N(C3CC3)C2)C1 1354460179 OESOJQACBORVDA-VXGBXAGGSA-N 318.377 -0.124 30 20 DBED N#Cc1cnn2c(O)cc(CN3CC[C@@H](O)[C@@H](CO)C3)nc12 1365309842 GLUJEBQFNPAEDP-ZYHUDNBSSA-N 303.322 -0.518 30 20 DBED C[C@@H](CNC(=O)[C@@H](C)C#N)NC(=O)C1(S(C)(=O)=O)CCC1 1373076648 WIEUYIWWTXAJLM-UWVGGRQHSA-N 315.395 -0.266 30 20 DBED C=C(Cl)CN1CC[C@](O)(CNC(=O)c2cnn(C)c2N)C1 1380539316 MXMBFBSDXIPBKL-ZDUSSCGKSA-N 313.789 -0.079 30 20 DBED COCCn1ccc(C(=O)NC[C@H](C)NC(=O)[C@@H](C)C#N)n1 1397516911 OSOIXBGNHKHFNN-QWRGUYRKSA-N 307.354 -0.076 30 20 DBED CC(=O)N(C)CC(=O)NC[C@H]1CN(C(=O)[C@H](C)C#N)CCCO1 1406037478 WIPQKTQOGXUALM-YPMHNXCESA-N 324.381 -0.642 30 20 DBED N#Cc1ccc(C(=O)N2CC(NC(=O)CCn3cncn3)C2)[nH]1 1409028524 WMEVBVNKQWSXIF-UHFFFAOYSA-N 313.321 -0.491 30 20 DBED N#C[C@H]1CCCN(C(=O)[C@@H]2CCCN(S(N)(=O)=O)C2)C1 1413545992 YHCJSBLZNRFELP-GHMZBOCLSA-N 300.384 -0.336 30 20 DBED Cn1c(=O)[nH]c(N2CC[C@@H](CN3CCCC3=O)C2)c(C#N)c1=O 1413900384 KIQAHGHZQIMOJT-JTQLQIEISA-N 317.349 -0.606 30 20 DBED Cn1nncc1C(=O)NC[C@@H](O)CNCc1ccc(C#N)cc1 1420122786 GTBZJSNKSYJQQN-ZDUSSCGKSA-N 314.349 -0.433 30 20 DBED COCCn1cc(C(=O)N2CC[C@H](NC(=O)[C@@H](C)C#N)C2)nn1 1427802647 JWDSCHCWMOUFBS-QWRGUYRKSA-N 320.353 -0.585 30 20 DBED C[C@@H](C#N)C(=O)NCCN1CCN(Cc2cnn(C)c2)CC1 1441048322 XUXNFDUQQHASDB-ZDUSSCGKSA-N 304.398 -0.186 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CC[C@H](CN[C@@H](C)C(=O)NC(N)=O)CC1 1447078517 OLWGFQTZTBNMFS-BJDJZHNGSA-N 323.397 -0.006 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CCCS2(=O)=O)C1 1447453975 ZBIILHWFMYWXEF-XWLWVQCSSA-N 313.379 -0.513 30 20 DBED CS[C@H](C)C(=O)NC[C@@H](O)CNC(=O)c1cc(C#N)c[nH]1 1452289345 OOXKFPRKZNQPMA-PSASIEDQSA-N 310.379 -0.155 30 20 DBED C=C(Cl)CNC[C@H](O)CNC(=O)[C@H](C)CS(C)(=O)=O 1482798078 FWGFRCMSGVCKEO-SCZZXKLOSA-N 312.819 -0.514 30 20 DBED CC(C)S(=O)(=O)CC(=O)N(C)C[C@H](C)NC(=O)[C@@H](C)C#N 1487786548 PVULHRUDKSQEIR-QWRGUYRKSA-N 317.411 -0.068 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CCN(CCN2C(=O)CCC2=O)C1 1490538998 HQEVHKMOZWXJKP-CYBMUJFWSA-N 303.362 -0.261 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(O)nn2)C1 1495131376 NGGMZLXGZYBRCQ-UWVGGRQHSA-N 303.322 -0.080 30 20 DBED CC(=O)NC1(C(=O)N2CC(NC(=O)[C@H](C)C#N)C2)CCCC1 1498384926 ZDMPMMPGQRVZCW-SNVBAGLBSA-N 306.366 -0.078 30 20 DBED C=C(Cl)CN1CC[C@@H]1CNC(=O)CNC(=O)CNC(C)=O 1499006517 CPBUHCRJGNJLMQ-LLVKDONJSA-N 316.789 -0.818 30 20 DBED CS(=O)(=O)CC(=O)N[C@H]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 1524914172 PLPDALNYWZBEBB-MGCOHNPYSA-N 324.362 -0.692 30 20 DBED COc1c[nH]c(C(=O)NCCN(C)C(=O)[C@H](C)C#N)cc1=O 1528406633 NLROTUZHNKQRLZ-SECBINFHSA-N 306.322 -0.269 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](C)N(C)c1nccnc1-c1nn[nH]n1 1573577079 LVKQATSMYSEHBT-RKDXNWHRSA-N 315.341 -0.243 30 20 DBED N#Cc1cccnc1N1CCN(C(=O)[C@H](O)CC(=O)O)CC1 1574248543 KISZYLZDGALQRM-LLVKDONJSA-N 304.306 -0.563 30 20 DBED C[C@H](CCS(C)(=O)=O)Nc1cnc(-c2nn[nH]n2)c(C#N)n1 1574694586 SBEVLGLNUCRBIG-SSDOTTSWSA-N 322.354 -0.237 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@H](N)CCCC=C)CC1 1574706814 IDMLEUOMEHUPLQ-CQSZACIVSA-N 306.410 -0.436 30 20 DBED C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCNCC1 1574936411 LGRKWHUVRPNREN-LBPRGKRZSA-N 320.397 -0.506 30 20 DBED CC#CCNC[C@H](O)CN(C)C(=O)CCOCc1cnn[nH]1 1575123095 NHASDRPCTXBOBM-ZDUSSCGKSA-N 309.370 -0.856 30 20 DBED C#CCN(CC(=O)O)C(=O)N[C@H]1CCN(C2CCOCC2)C1=O 1588409620 HTZPHWAWRJBYRO-LBPRGKRZSA-N 323.349 -0.504 30 20 DBED C=CCCCCn1c(=O)c(-c2nn[nH]n2)cn(CCO)c1=O 1588601990 XTQGSAUYOQJVBX-UHFFFAOYSA-N 306.326 -0.461 30 20 DBED C[C@H](NC(=O)NCC(=O)NCC#N)c1ncc(C(=O)O)s1 1593081009 FEGZVHXMCBWHEB-LURJTMIESA-N 311.323 -0.159 30 20 DBED Cc1cc(C(N)=O)cc(S(=O)(=O)N(CC#N)CC(=O)O)c1 1600144945 CDZLPKDZTRHXJK-UHFFFAOYSA-N 311.319 -0.307 30 20 DBED C=CCn1cc(C(=O)N2C[C@H](C(=O)OC)CC[C@@H]2C(=O)O)nn1 1602937602 BUPLHRFHVRYOAR-MWLCHTKSSA-N 322.321 -0.058 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)N2CCC[C@H](CC(=O)O)C2)CCO1 1611291230 LOUIPCZYLJVBCR-MNOVXSKESA-N 309.322 -0.549 30 20 DBED CC[C@@H](C(=O)N(C)C[C@H](O)CNC(=O)C#CC(C)C)N(C)C 1718774043 GQZMSSJQRPGBNM-KGLIPLIRSA-N 311.426 -0.079 30 20 DBED C=CCOCCN[C@@H](C)CNC(=O)[C@@H]1CCCS1(=O)=O 1752920052 QFBJEQVOQZPLIJ-RYUDHWBXSA-N 304.412 -0.140 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC[C@H](C(=O)NCCNCC#N)C1 1752926618 VCOHNVAYNUPRGD-KBPBESRZSA-N 320.393 -0.507 30 20 DBED C#CCNC(=O)[C@@H](C)NCCN(C)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 1753233466 BNJXENWNKHCZQT-SYQHCUMBSA-N 307.394 -0.260 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC(NC(=O)Cc2nnc(C)o2)C1 1753376326 NMZXIWLSPAYTKU-SECBINFHSA-N 307.354 -0.588 30 20 DBED C#CCO[C@H](C)C(=O)NC1CN([C@@H]2CCN(CC=C)C2=O)C1 1753377767 LAUYJIASHIUEBG-TZMCWYRMSA-N 305.378 -0.388 30 20 DBED COCC(=O)N(C)CC(=O)N1CC[C@H]2[C@H](CCN2CC#N)C1 1753873926 WLGVPYYFHGBQIS-OLZOCXBDSA-N 308.382 -0.462 30 20 DBED C=CCN1CC[C@H](NC[C@H](O)CNC(=O)Cc2ccco2)C1=O 1753930498 ITLJQWPPUVQHTE-JSGCOSHPSA-N 321.377 -0.324 30 20 DBED N#CCNC/C=C\CNC(=O)[C@H]1COCCN1CC(F)F 1754153723 LSGXZTXONWARII-RFMOXSJOSA-N 302.325 -0.262 30 20 DBED COCC#CCNC[C@H](C)NC(=O)[C@@H](C)N1C(=O)CCC1=O 1754269389 KUQMMVDWPZZJBM-NWDGAFQWSA-N 309.366 -0.732 30 20 DBED C#CCNC(=O)CNCCCN(C)C(=O)c1cc(CC)n(C)n1 1754419545 WPBOOGJYARHXPZ-UHFFFAOYSA-N 319.409 -0.216 30 20 DBED C#CCNC(=O)CNC1(CNC(=O)C(C)(C)CNC(C)=O)CC1 1754528959 YBPJERBYIHMJHT-UHFFFAOYSA-N 322.409 -0.864 30 20 DBED C#CCN(C(=O)c1nccnc1N)C1CCN(CC(N)=O)CC1 1754635033 GACUPLZZCPWQTG-UHFFFAOYSA-N 316.365 -0.916 30 20 DBED COCC#CCN1CC[C@](O)(CNC(=O)c2ccncn2)C1 1754761575 ZKNIAQGWFDASNJ-HNNXBMFYSA-N 304.350 -0.707 30 20 DBED Cc1nc([C@@H](C)N2CC(O)(CNC(=O)CSCC#N)C2)n[nH]1 1754763470 TXJJJYSXKZVRJL-SECBINFHSA-N 324.410 -0.406 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(Cc2cccnc2)C1 1754766816 FYTRLNYXSZLDMO-ZDUSSCGKSA-N 303.362 -0.217 30 20 DBED C=CCN1CC[C@@H](NCCN(CCO)C(=O)c2cc[nH]c2)C1=O 1754884871 WUYMHTWEEWOTCH-CQSZACIVSA-N 320.393 -0.174 30 20 DBED C#CCCN1CCOC[C@@H]1CNC(=O)CS(=O)(=O)CC 1754973500 CIQVZFLWXLFTEB-LBPRGKRZSA-N 302.396 -0.739 30 20 DBED C#CCCN(C)C[C@@H]1CCCN1C(=O)CN1CCOCC1=O 1755195282 MRURBBPHMVOFLZ-AWEZNQCLSA-N 307.394 -0.209 30 20 DBED C[C@@H](NC(=O)C[C@@](C)(O)C1CC1)C1CN(CC(=O)NCC#N)C1 1755373430 JZFRYPNXCCGORO-BDJLRTHQSA-N 322.409 -0.386 30 20 DBED C#CCCN1C[C@H]2[C@H](CNC(=O)CN3CCC(=O)NC3=O)[C@H]2C1 1755434184 OUSUVFRQFYZDEF-XYYAHUGASA-N 318.377 -0.754 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C[C@H](C)NCCN1CCNC1=O 1755587176 XRNJZTUMWOHSOZ-STQMWFEESA-N 310.398 -0.514 30 20 DBED Cn1cnc(C(=O)NC[C@@H](CO)NCC#Cc2ccccc2)n1 1755625731 QPMAJRYXGOFZFZ-AWEZNQCLSA-N 313.361 -0.453 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@H](CO)NC(=O)c1cc(C)nn1C 1756515999 SSBMJQZTVDAWGA-IAQYHMDHSA-N 324.381 -0.737 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H](O)CN(C)C(=O)COC)cc1 1756649642 ADZGPOLDMCVUJP-CQSZACIVSA-N 304.346 -0.137 30 20 DBED C=CCO[C@@H](C)C(=O)NC1CC(N(C)C(=O)Cn2cncn2)C1 1756749781 CHMYYXILAPGBPX-HIFPTAJRSA-N 321.381 -0.025 30 20 DBED CO[C@@H]1CN(C(=O)c2cn[nH]c2)C[C@H]1NC(=O)C#CC1CC1 1757127830 PLLRGWHNYVBDKY-CHWSQXEVSA-N 302.334 -0.221 30 20 DBED C=CCC(=O)N1CC[C@]2(C1)CN(C(=O)Cn1cnnn1)CCO2 1783914537 VYLQUPKCQYXUHA-AWEZNQCLSA-N 320.353 -0.921 30 20 DBED C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCNC(=S)NC 1798447445 LQEHYNNAHMZBSX-ZSBIGDGJSA-N 322.434 -0.258 30 20 DBED CCC(=O)C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834767183 MZSBUNJYKXLGTH-HNNXBMFYSA-N 323.349 -0.664 30 20 DBED O=C([C@@H]1C[C@H](O)CN1)N1CC2(CCCN2C(=O)C#CC2CC2)C1 1841541256 BCAGCZJAMKMPNX-KBPBESRZSA-N 317.389 -0.674 30 20 DBED C#CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C1=NN(C)C(=O)CC1 1848046241 DOBXTPHJWFXIJJ-RYUDHWBXSA-N 302.334 -0.570 30 20 DBED C=CCNC(=O)COC(=O)c1cc(S(N)(=O)=O)ccc1F 25447056 AIDPUVDICOLBQN-UHFFFAOYSA-N 316.310 -0.068 30 20 DBED C[C@H](Oc1ccc(C#N)cc1)C(=O)NCCNS(C)(=O)=O 29679320 VWFJUECYJDJUOA-JTQLQIEISA-N 311.363 -0.009 30 20 DBED CCn1cc(C#N)c(=O)n(CCCS(=O)(=O)N(C)C)c1=O 77566072 BMINNLAWOFSUSL-UHFFFAOYSA-N 314.367 -0.817 30 20 DBED N#CCC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 169908918 MNNSEAXMHHOYCQ-UHFFFAOYSA-N 312.307 -0.097 30 20 DBED C/N=C(/NCCNS(C)(=O)=O)N1CC[C@H](N2CC=CC2)C1 262801124 RHUXZOPGSMAFJK-LBPRGKRZSA-N 315.443 -0.943 30 20 DBED CCOC(=O)c1cnn(C)c1NC(=O)CN1CCOC[C@@H]1C#N 266883852 YYQMEHXNTVJRLF-JTQLQIEISA-N 321.337 -0.240 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN(CC)C(=O)C1 292277269 HQBHBKPVXJIVHM-OCCSQVGLSA-N 323.393 -0.226 30 20 DBED C#CCN(C)CCCNC(=O)C(=O)Nc1cc(CC)nn1C 293325596 JAYMPJPIMKSRHT-UHFFFAOYSA-N 305.382 -0.008 30 20 DBED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)C(=O)NC)c1 293682682 NJJLBZJTCYRHEO-JTQLQIEISA-N 323.374 -0.538 30 20 DBED O=C(C/N=C(/O)N1CC[C@H](N2CCCC2=O)C1)N1CCOCC1 330113999 SNLXPNYQPYTILM-LBPRGKRZSA-N 324.381 -0.544 30 20 DBED C=CCN(C(=O)[C@H]1CCC(=O)N1C)[C@@H]1CCS(=O)(=O)C1 330753493 JCUDAEZFZDBLTP-GHMZBOCLSA-N 300.380 -0.191 30 20 DBED C[C@@H](CNS(=O)(=O)N1CCO[C@@H](C#N)C1)Cn1cccn1 336907174 FNGUXJOGSYANRK-RYUDHWBXSA-N 313.383 -0.422 30 20 DBED C[C@]1(O)CCCN(S(=O)(=O)N2CCO[C@H](C#N)C2)CC1 337150783 JEZNDMSUTSAABH-NEPJUHHUSA-N 303.384 -0.308 30 20 DBED COC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)N(C)[C@@H](C)CC#N 337977404 HIGUHXMLZAGFCE-GUBZILKMSA-N 305.356 -0.927 30 20 DBED N#C[C@H]1CN(C(=O)NCc2cccc(OCC(N)=O)c2)CCO1 341324279 WGEJDKWISQYTSF-ZDUSSCGKSA-N 318.333 -0.015 30 20 DBED N#CCNC(=O)CNC(=O)N[C@@H]1CC[C@@H](C(=O)N2CCCC2)C1 346280392 VVZQEMFECYMGCI-VXGBXAGGSA-N 321.381 -0.284 30 20 DBED C=CCC[C@H](O)CN1CCN(C(=O)CN2C(=O)CCC2=O)CC1 351688621 YKSMCSZPSSWLHL-ZDUSSCGKSA-N 323.393 -0.393 30 20 DBED N#CCNC(=O)CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 352538906 QQGITEHLGRGQIU-UHFFFAOYSA-N 312.307 -0.346 30 20 DBED CN1CC[C@](O)(CNC(=O)CNC(=O)c2ccc(C#N)cc2)C1 358426104 SPBWLAFDBYIBLB-INIZCTEOSA-N 316.361 -0.529 30 20 DBED C=C[C@H](CO)NC(=O)N[C@H]1CCC(=O)N(C)[C@H]1c1ccnn1C 359464955 FJYJOOIZRDMIEP-UHIISALHSA-N 321.381 -0.072 30 20 DBED C[C@H]1OCC[C@@]12CN(S(=O)(=O)N(C)CCC#N)CCO2 359932471 GREGDMZREPLKLA-VXGBXAGGSA-N 303.384 -0.044 30 20 DBED C[C@](O)(CNC(=O)c1cnccc1C#N)CN1CCOCC1 362869185 RSTQXCTYUFKPPU-HNNXBMFYSA-N 304.350 -0.234 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCC[C@H](C(N)=O)C1 407954333 NSJFBDBITWIDAM-QWRGUYRKSA-N 302.400 -0.090 30 20 DBED CN(C)C(=O)Cn1cnc(NC(=O)N(CCC#N)CC2CC2)n1 428876766 OXYIRFFCBIKJMW-UHFFFAOYSA-N 319.369 0.524 30 20 DBED C=CCOC[C@@H](NC(=O)c1c(C)nc(N)nc1C)C(=O)OC 435931976 ALRGALURPQGMAO-SNVBAGLBSA-N 308.338 0.150 30 20 DBED C#CCN1CCN(C(=O)CN2CCC[C@H](CC(N)=O)C2)CC1 490781118 WMMRQIFNZOOPHD-CQSZACIVSA-N 306.410 -0.649 30 20 DBED C#CCNC(=O)C1CCN(CCC(=O)NCC(=O)OC)CC1 491068735 QMONVEGLDPHHEQ-UHFFFAOYSA-N 309.366 -0.873 30 20 DBED C=CCC[C@H](NC(=O)CCNS(C)(=O)=O)C(=O)OCC 514917100 LVCXLKOKYLLXAG-JTQLQIEISA-N 306.384 -0.060 30 20 DBED N#Cc1ccc(OC[C@H](O)CN2C[C@@H](CO)[C@H](CO)C2)cc1 528604364 DCNQWXVZQMVQMJ-SOUVJXGZSA-N 306.362 -0.169 30 20 DBED N#Cc1ccc(S(=O)(=O)NC[C@H]2CN3CCN2CC3)c(F)c1 533468538 ZINSWGYBWZIQJZ-LBPRGKRZSA-N 324.381 -0.025 30 20 DBED CC(C)[C@H](C#N)NC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C 545945426 XAOXXBQMYMGQQY-JTQLQIEISA-N 317.349 -0.146 30 20 DBED N#CCNC(=O)CNC(=O)NCCc1ccc2c(c1)OCO2 561421362 JSXKXHNGVFYPOB-UHFFFAOYSA-N 304.306 -0.103 30 20 DBED N#Cc1ncn(CC(=O)Nc2ccc(N3CCNCC3)cn2)n1 563337424 VUPXILKPWQGMBJ-UHFFFAOYSA-N 312.337 -0.407 30 20 DBED CN1CCN(S(=O)(=O)c2ccc(C#N)cc2F)[C@@H](CN)C1 565542418 ZCFGDAGSDFCUEO-NSHDSACASA-N 312.370 -0.039 30 20 DBED N#Cc1cc([N+](=O)[O-])cnc1N1CCN2C(=O)[C@@H](N)C[C@H]2C1 566491128 QVODNVGYEDQKGF-QWRGUYRKSA-N 302.294 -0.390 30 20 DBED Cn1ccc(NC(=O)CNS(=O)(=O)CCC(C)(C)C#N)n1 569510119 NTUDAEWXKMWOGV-UHFFFAOYSA-N 313.383 0.218 30 20 DBED CCNCCNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 576518156 VEZJDHVBQOVRJY-UHFFFAOYSA-N 310.379 -0.438 30 20 DBED COC(=O)C[C@H](O)CNC(=O)C(=O)Nc1cc(C#N)ccc1C 600056862 ADHYKKMJWXKECC-NSHDSACASA-N 319.317 -0.155 30 20 DBED C[C@H](O)[C@H]1CCN(C(=O)C(=O)N2CCN(CCC#N)CC2)C1 601460120 NFGZAAMGXVKFHA-STQMWFEESA-N 308.382 -0.726 30 20 DBED C[C@@H]1C[C@H](CO)CN(C(=O)C(=O)N2CCN(CCC#N)CC2)C1 601497314 RKSGJEFTTCJOBM-KGLIPLIRSA-N 322.409 -0.479 30 20 DBED C=CCN(CC=C)C(=O)Cn1c(=O)c(C#N)c(C)n(C)c1=O 603359887 RFDKSTXHMHACJE-UHFFFAOYSA-N 302.334 -0.072 30 20 DBED C=C[C@H](C(=O)OC)N1CCN([C@H](C=C)C(=O)OC)CC(O)C1 619719791 FAOPMVJVAIJHDN-CHWSQXEVSA-N 312.366 -0.580 30 20 DBED C=CCn1c(-c2cn(C)nn2)nnc1N1CCN(C)C(=O)C1 669034135 AMKXMZFWVUDLOC-UHFFFAOYSA-N 302.342 -0.462 30 20 DBED C#CCOCCC(=O)Oc1cccc(C(=O)NCC(N)=O)c1 756556884 CWNPVIMMBLFCJY-UHFFFAOYSA-N 304.302 -0.153 30 20 DBED C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)OCC1(C#N)CC1 775865726 HYJDPKPUZRLXLU-SECBINFHSA-N 312.351 -0.066 30 20 DBED C#CCCCNC(=O)C(=O)NCCCN(C)S(=O)(=O)CC 788896598 MGWNVGQIAODLCY-UHFFFAOYSA-N 317.411 -0.696 30 20 DBED N#Cc1cccc(-n2ccc(C(=O)NN3CC(=O)NC3=O)n2)c1 798894117 AZPFXJBAERAAFF-UHFFFAOYSA-N 310.273 -0.059 30 20 DBED C=CCS(=O)(=O)CCNS(=O)(=O)N(C)C[C@@H](C)C#N 800107429 PQTVXRLRSANWTG-JTQLQIEISA-N 309.413 -0.487 30 20 DBED COc1cccc(C2=NO[C@H](C(=O)NCC(=O)NCC#N)C2)c1 804822416 QEIVZYSRRNGDFA-ZDUSSCGKSA-N 316.317 -0.056 30 20 DBED C=C(CN(C)C)C(=O)N1CCN(S(=O)(=O)CC)C[C@H]1C 805364646 CNDMKSNCZVNZQK-GFCCVEGCSA-N 303.428 -0.013 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCC[C@H]([C@H](C)O)C1)[C@H]1CCCO1 809305802 JUWWYRZYUVUIBH-XDQVBPFNSA-N 308.378 -0.097 30 20 DBED CNC(=O)CNC(=S)NN=Cc1c(Cl)nc(N)n1C 814845224 UZIXDCUAANEVIZ-UHFFFAOYSA-N 303.779 -0.800 30 20 DBED C#CC[C@H](CO)NC(=O)[C@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 816669933 HKXPATJNHOXLAZ-ILXRZTDVSA-N 320.389 -0.072 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCC[C@@H](C(=O)O)C1)[C@H]1CCCO1 817112022 PUDGHEURVKOSJA-GRYCIOLGSA-N 308.334 -0.393 30 20 DBED CCOC(=O)C(=O)N1CCN(C(=O)[C@H](N)CCCC#N)CC1 818217328 ODZLCKPDHTYDKY-LLVKDONJSA-N 310.354 -0.759 30 20 DBED C[C@](C#N)(CC(=O)O)C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 819821698 JJFUKGAXSJETHX-JOYOIKCWSA-N 317.367 -0.469 30 20 DBED CN(Cc1ccc(C#N)cc1)C(=O)Cn1cnc(-c2nn[nH]n2)n1 821609659 GQPFXGXDZVHOIH-UHFFFAOYSA-N 323.320 -0.012 30 20 DBED N#C[C@H]1CNC[C@@H]1NC(=O)CCCS(=O)(=O)N1CCCC1 834495663 XLTOJAGYJQPSOG-RYUDHWBXSA-N 314.411 -0.580 30 20 DBED C=CCn1cc(C(=O)NS(=O)(=O)c2c(C)nn(C)c2C)nn1 842676569 ZAWDVVKUNVVHAJ-UHFFFAOYSA-N 324.366 -0.067 30 20 DBED C=C(C)CONC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 846538401 UISBUWVXSPAANN-UHFFFAOYSA-N 321.337 -0.552 30 20 DBED C#CC[C@H](CO)NC(=O)c1ccc(N2NC(=O)CCC2=O)cc1 854546394 DOVZQMVXCVAGMI-GFCCVEGCSA-N 315.329 -0.041 30 20 DBED COC(=O)c1cnn(CC(=O)O[C@@H](C)C(=O)N(C)CCC#N)c1 859971417 AKZHYHFACBGSBJ-JTQLQIEISA-N 322.321 -0.027 30 20 DBED C#CC1(O)CN(C(=O)[C@@H]2CCCN2S(=O)(=O)CCCC)C1 890520728 MLNAUKCOIXUMDJ-LBPRGKRZSA-N 314.407 -0.213 30 20 DBED C#CC[C@H](CO)NC(=O)c1cccn1CCN1CCOCC1 908314352 JHFAAFREYPLZRB-CQSZACIVSA-N 305.378 -0.066 30 20 DBED COCCS(=O)(=O)CC(=O)OCC(=O)N(C)C(C)(C)C#N 915558810 VWVIICVDUNTTGA-UHFFFAOYSA-N 320.367 -0.649 30 20 DBED C=CCSCCNC(=O)C(=O)N1CCOC[C@@H]1COC 929751892 BOLFSTLDPOXNQL-NSHDSACASA-N 302.396 -0.104 30 20 DBED COc1cncc(C(=O)N[C@H]2CCN(C(=O)[C@H](C)C#N)C2)n1 937944955 OJABXOIOBHLWQW-ZJUUUORDSA-N 303.322 -0.024 30 20 DBED COc1ccc(C(=O)N[C@H]2CCN(C(=O)[C@@H](C)C#N)C2)nn1 938774079 PGPKRUMUFLTDQK-UWVGGRQHSA-N 303.322 -0.024 30 20 DBED N#CCN1CCOC2(CCN(C(=O)[C@@H]3CCCNC3=O)CC2)C1 949388687 HSUKCBYITUKCBJ-CYBMUJFWSA-N 320.393 -0.270 30 20 DBED Cn1nncc1C(=O)NC[C@@H]1CCN1C(=O)c1ccc(C#N)[nH]1 949673137 RLLXUHFXAPTRFV-JTQLQIEISA-N 313.321 -0.341 30 20 DBED Cn1nncc1C(=O)NC[C@@H]1CCN1C(=O)c1c[nH]c(C#N)c1 949673154 RQRWRZRQQPUYPG-NSHDSACASA-N 313.321 -0.341 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]1CNC(=O)C1CCN(C(N)=O)CC1 949889898 QPFJQAQNDBIZNO-PWSUYJOCSA-N 321.381 -0.346 30 20 DBED C#CCN1CC(N(CC)C(=O)[C@H]2CCc3nnc(O)n3C2)C1 950654202 MRVDDWXNTAPOBY-NSHDSACASA-N 303.366 -0.288 30 20 DBED CC#CCN1C[C@H](CNC(=O)c2cnn3ncccc23)[C@@H](O)C1 958138297 FDUVCQZMMSGLMN-WFASDCNBSA-N 313.361 -0.225 30 20 DBED N#Cc1ccc(C(=O)NC2[C@@H]3CN([C@H]4CCCNC4=O)C[C@@H]23)[nH]1 958589824 GVTGWUIWHYZUAX-WZRBSPASSA-N 313.361 -0.175 30 20 DBED CC#CCN1C[C@H](O)[C@H](CNC(=O)c2c(OC)ccnc2O)C1 958596014 XWNSHWFTFUMDAS-NEPJUHHUSA-N 319.361 -0.158 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H]2CN(C(=O)c3nnn(C)n3)C[C@H]21 963829387 ZKEKPEHNCYQQNA-OUAUKWLOSA-N 317.353 -0.567 30 20 DBED C=CCCn1cc(C(=O)N2CCOC[C@@H]2CNC(C)=O)nn1 964041581 NFRGUXIWVBDXEX-LBPRGKRZSA-N 307.354 -0.169 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](NC(=O)Cn2ncnn2)C(C)(C)C1 967032431 GWADALFEQHXLFF-MNOVXSKESA-N 319.369 -0.424 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)c1 973142633 YLWPCMVJUBMCAE-DBIOUOCHSA-N 315.333 -0.615 30 20 DBED CC(=O)N1CC(C(=O)N2CC[C@@H]3CN(C(=O)[C@@H](C)C#N)[C@@H]3C2)C1 974973360 FJXOZTXGFKCMMF-ZKYQVNSYSA-N 318.377 -0.316 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC2(CCCN(CC(N)=O)C2)C1 981819332 WVTZWLVOLAXLKO-AWEZNQCLSA-N 318.421 -0.506 30 20 DBED C[C@@H]1[C@H](NCC#N)CCN1C(=O)CCc1nnc(O)nc1O 986461127 JBYMQQOTASTWBC-RKDXNWHRSA-N 306.326 -0.682 30 20 DBED C=C(Cl)CN1CCCN(C(=O)Cn2c(O)nnc2O)CC1 989562620 ILLHPKMFKKTOJW-UHFFFAOYSA-N 315.761 -0.024 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN(C(=O)[C@]2(C)CCOC2)C1 994750095 GEZCOLLEESGTFK-WMLDXEAASA-N 319.405 -0.162 30 20 DBED C=C(Cl)CNC1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 997042936 KPSZUXUFATXVFA-JTQLQIEISA-N 314.773 -0.082 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)[C@@H](C)n3cncn3)C2)cn1 997090840 RWRSLYZADYOAPA-LLVKDONJSA-N 324.344 -0.144 30 20 DBED N#Cc1ccc(C(=O)N2CC(NC(=O)[C@]3(F)CCOC3)C2)[nH]1 998133845 FSMKVWVAZPMVBB-AWEZNQCLSA-N 306.297 -0.044 30 20 DBED CN(C(=O)C1CC2(C1)CS(=O)(=O)C2)C1CC(NCC#N)C1 998985466 YOPKTLWUVHJCRN-UHFFFAOYSA-N 311.407 -0.086 30 20 DBED C#CCCN1CCC(NC(=O)c2cc(=O)n3[nH]cnc3n2)CC1 1003964860 MHLJZZWQQGMVFI-UHFFFAOYSA-N 314.349 -0.365 30 20 DBED CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N[C@H]2CCCN(CC#N)C2)O1 1008509683 OEDJDRPOJUFDPC-XQQFMLRXSA-N 308.382 -0.274 30 20 DBED C#CCCN1CCC[C@H](NC(=O)C2CC3(C2)NC(=O)NC3=O)C1 1008846542 OLLLMTOGSWFOGM-BGMSHATGSA-N 318.377 -0.422 30 20 DBED O=C1N[C@H](C(=O)NC[C@H]2[C@@H]3CN(C(=O)C#CC4CC4)C[C@H]23)CO1 1009022572 XQIMZNJPBWFRSR-RVMXOQNASA-N 317.345 -0.671 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2C(CNC(=O)c3cnnc(O)c3)[C@H]2C1 1009167431 FPJLXRSYBSYZEF-GGZOMVNGSA-N 315.333 -0.224 30 20 DBED C=C1CCC(C(=O)N[C@@H](C)[C@H]2CN(C(=O)C(N)=O)CCO2)CC1 1009748469 QJTIIWYYGJMEBI-WCQYABFASA-N 323.393 -0.050 30 20 DBED C[C@@H]1C[C@H](CNC(=O)c2ccc(C#N)[nH]2)CN1C(=O)C(N)=O 1010285780 UDBOXPDVXGEEHQ-RKDXNWHRSA-N 303.322 -0.662 30 20 DBED C#CCCN1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCS(=O)(=O)N1 1018281609 BCPFAQKEOGRQJH-XQQFMLRXSA-N 311.407 -0.623 30 20 DBED C=CCCN1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CCS(=O)(=O)N1 1018281636 CLJMPDSXIIRSAB-FRRDWIJNSA-N 313.423 -0.071 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CCN(C(=O)c3nccnc3N)[C@@H]2C1 1021251851 TXHNZDURSRUWGP-OUAUKWLOSA-N 314.349 -0.109 30 20 DBED C#CCN1CCCC[C@@H]1CNC(=O)[C@@H]1CN(C(C)=O)CCO1 1024785780 PKKIEMDKMHYHPQ-CABCVRRESA-N 307.394 -0.162 30 20 DBED CN1C(=O)CN(CC(=O)N2CCC[C@H](N(C)CC#N)C2)C1=O 1027646956 BLHNEYKZXSDUME-NSHDSACASA-N 307.354 -0.673 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2CCCN2[C@H](CC)C(N)=O)nn1 1028187833 OQCPOVSXJOTZBG-DGCLKSJQSA-N 320.397 -0.078 30 20 DBED C#CCN1[C@H]2CC[C@H]1CN(C(=O)CN1C(=O)CN(C)C1=O)C2 1029577000 AXUDVIVZWGGSNT-RYUDHWBXSA-N 304.350 -0.811 30 20 DBED CC#CCN1CC(CNC(=O)[C@H]2CC(=O)N(CCOC)C2)C1 1031711575 INNUDVGKDXPZFT-AWEZNQCLSA-N 307.394 -0.447 30 20 DBED N#CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCc2nnnn2CC1 1032639761 PHHZWBCDXYTFTB-SRVKXCTJSA-N 301.354 -0.566 30 20 DBED CN(C(=O)[C@H]1CCc2nnn(C)c2C1)[C@H]1CCN(CC#N)C1 1033362324 LOBGNAXBHDVYKF-RYUDHWBXSA-N 302.382 -0.024 30 20 DBED C#CCCN1CCO[C@@H](CNC(=O)c2cnn(C)c2OC)C1 1035594798 ZUTKLGCLWVZCJM-LBPRGKRZSA-N 306.366 -0.117 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)c2cc(C(N)=O)cs2)C1 1035616852 NNFSPFWCQSSYFN-NSHDSACASA-N 307.375 -0.089 30 20 DBED CC#CCN1CC[C@H]2CN(C(=O)C3CS(=O)(=O)C3)CC[C@H]21 1036724111 ACKAAAPAPNPYQG-GXTWGEPZSA-N 310.419 -0.023 30 20 DBED CN1CC(=O)N(CC(=O)N2CC[C@H]3[C@@H](CCN3CC#N)C2)C1=O 1036887997 BABKFBUPQQFSHM-RYUDHWBXSA-N 319.365 -0.673 30 20 DBED C=CCCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1cn(C)c(=O)n(C)c1=O 1037608524 YGAZUHTUYSXKDG-KGYLQXTDSA-N 318.377 -0.537 30 20 DBED C=CCCN1C[C@H]2C[C@H]1[C@H]2NC(=O)CN1CC(=O)N(C)C1=O 1037674010 FPWJMOJUDXRKHB-SUNKGSAMSA-N 306.366 -0.355 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2CCN2[C@H](C)C(=O)NC)nn1 1038792785 XTAIQMVZFXITGG-MNOVXSKESA-N 306.370 -0.597 30 20 DBED C=CCO[C@@H](C)C(=O)NC[C@]1(O)CCN(C(=O)COCC)C1 1040160066 AGYGQJXKPOKNRK-SWLSCSKDSA-N 314.382 -0.306 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@]1(O)CCN(C(=O)CC)C1 1040185812 XGNUKPACBQQLPW-BBRMVZONSA-N 307.394 -0.426 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@](O)(CNC(=O)CCCF)C1 1040566620 CJLOPHRCFYVNDD-WFASDCNBSA-N 314.357 -0.146 30 20 DBED C=CCCCC(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2CCNC2=O)C1 1040730624 ZRQCCBAOUKLYES-MLGOLLRUSA-N 323.393 -0.442 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)Cc2ncc[nH]2)C1 1040758889 CLYLXHOBIDRPGZ-HZMBPMFUSA-N 305.338 -0.809 30 20 DBED N#Cc1cccnc1N1C[C@@H](O)[C@H](NC(=O)c2cnsn2)C1 1040939338 QKQPNXVUCCZOPQ-GHMZBOCLSA-N 316.346 -0.216 30 20 DBED CC(F)(F)C(=O)NCC1(O)CN(C(=O)c2ccc(C#N)[nH]2)C1 1041138910 XYMJRUUVNUUUER-UHFFFAOYSA-N 312.276 -0.155 30 20 DBED COC1CC(C(=O)N2CC(O)(CNC(=O)C#CC3CC3)C2)C1 1042963012 DGGYOGWNTNGJKE-UHFFFAOYSA-N 306.362 -0.486 30 20 DBED C=CCN1CC[C@@H](N2CC(N(C)C(=O)c3[nH]nnc3C)C2)C1=O 1043507043 WIIUGDHHVUKOKP-GFCCVEGCSA-N 318.381 -0.344 30 20 DBED C=CCN[C@@H]1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)[C@H](C)C1 1044763081 KOLLKTFSNYYXBZ-VXGBXAGGSA-N 320.393 -0.147 30 20 DBED N#CCN1CC[C@@H](N2CCN(C(=O)[C@H]3CCCC(=O)N3)CC2)C1 1046037523 RLXOYZVHCDQILX-ZIAGYGMSSA-N 319.409 -0.603 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccnn2CCOC)C1 1047422560 YIRVNMSAQWIJLG-KBPBESRZSA-N 308.382 -0.167 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2nccn3cc(C)nc23)C1 1047589482 IYBLQMZKPHNDGA-STQMWFEESA-N 313.361 -0.212 30 20 DBED CCC(=O)NCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C#CC(C)C)C1 1048811080 MATRCVNPZFOGKI-STQMWFEESA-N 323.393 -0.798 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)COC(C)(C)C)C[C@@H]1O 1049388464 KQDGHDWWBUILFR-SRVKXCTJSA-N 311.382 -0.009 30 20 DBED N#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1c(O)nnc1O 1049867785 PATIXCAQQMWADF-NXEZZACHSA-N 306.326 -0.722 30 20 DBED C#CCCN1CCOC[C@@H]1CNC(=O)[C@@H]1COCCN1CC 1050994072 XNEUKFKLBZPMPN-GJZGRUSLSA-N 309.410 -0.453 30 20 DBED C#CCN1CCN([C@H]2CCN(C(=O)C[C@H]3CCC(=O)N3)C2)CC1 1052096414 KACWENKQODSAQJ-CABCVRRESA-N 318.421 -0.493 30 20 DBED CC#CCN1CC2(CC[C@H](CNC(=O)[C@@H]3CCNC(=O)C3)O2)C1 1053590651 NAKPTMVMZJXABD-ZIAGYGMSSA-N 319.405 -0.115 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)[C@H]3CCN(C)C3=O)CO2)C1 1053893099 KBXFQJHXXOLYQA-QWHCGFSZSA-N 305.378 -0.553 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)[C@]3(C)CCC(=O)N3)CO2)C1 1053917463 LDMBPHLLJHSAKE-DOMZBBRYSA-N 305.378 -0.362 30 20 DBED Cn1nccc1CC(=O)N1CCN(c2cnc(C#N)cn2)CC1 1055789683 LXLMJGLBCUIQGV-UHFFFAOYSA-N 311.349 -0.027 30 20 DBED CCn1ncc(C(=O)N2CCN(c3ccc(C#N)nn3)CC2)n1 1055797512 VDPFBWPAVGVDDE-UHFFFAOYSA-N 312.337 -0.078 30 20 DBED N#Cc1cnc(N2CCN(C(=O)[C@@H]3CCCNC3=O)CC2)cn1 1055928240 NRQSLPCOMMDUEN-GFCCVEGCSA-N 314.349 -0.477 30 20 DBED Cn1nccc1C(=O)NC1[C@H]2CN(c3cnc(C#N)cn3)C[C@H]12 1056138024 FVSMLNAKJWEEHV-QWRGUYRKSA-N 309.333 -0.054 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@@H]2[C@H]1CCCN2C(=O)C(N)=O 1056537951 QPIHECUKPSLICO-IJLUTSLNSA-N 307.350 -0.898 30 20 DBED CN(c1ccc(C#N)nn1)[C@@H]1CCN(C(=O)[C@H]2COCCO2)C1 1056870099 XFAOPHFEJPRVLI-CHWSQXEVSA-N 317.349 -0.199 30 20 DBED CN(c1ccc(C#N)nn1)[C@H]1CCN(C(=O)c2cnnn2C)C1 1056907994 DJVFGQDRRCIKNR-NSHDSACASA-N 312.337 -0.172 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCN(CCO)C(=O)c1cc(C)[nH]n1 1057100961 DVBRCAFVWXLANI-OAHLLOKOSA-N 324.381 -0.404 30 20 DBED COC[C@H](C)C(=O)N(CCO)CCNC(=O)c1c[nH]c(C#N)c1 1057189245 MWHAWVNGRYWTHU-NSHDSACASA-N 322.365 -0.280 30 20 DBED O=C(CC1OCCCO1)NCCN(CCO)C(=O)C#CC1CC1 1057531434 OEQILXDOALXPBT-UHFFFAOYSA-N 324.377 -0.510 30 20 DBED C#CCOCCC(=O)N(CCO)CCNC(=O)C1(CF)CC1 1057580357 CAAMNNYPBNIPMC-UHFFFAOYSA-N 314.357 -0.287 30 20 DBED C#CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)c1cc[nH]c1C 1057583148 IBFVQVKKWSTEAL-ZDUSSCGKSA-N 321.377 -0.088 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)c1cn(C)ccc1=O 1058211017 KQTZXNXTBUKOMD-NSHDSACASA-N 320.349 -0.904 30 20 DBED N#Cc1cncc(N2CC[C@@H](NC(=O)c3nccnc3N)C2)n1 1058316007 RXXGZLLXFKXPBY-SECBINFHSA-N 310.321 -0.271 30 20 DBED C=CCCCC(=O)N(CCO)CCNC(=O)c1cnn(C)c1N 1058621290 AIHOQECGRKOGCW-UHFFFAOYSA-N 323.397 -0.091 30 20 DBED C[C@H](C#N)C(=O)NCC[C@H]1CCN(C(=O)c2ncn(C)n2)C1 1059589841 PQJCOQSNOHZRHK-MNOVXSKESA-N 304.354 -0.057 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@H]1COCCN1C(=O)c1cc[nH]n1 1061542046 HJADVQGOCVKYDA-IAQYHMDHSA-N 322.365 -0.306 30 20 DBED N#Cc1ccc(N2CC[C@H](CNC(=O)[C@@H]3CCC(=O)N3)C2)nn1 1061627238 PROMJMOJQVMWOR-PWSUYJOCSA-N 314.349 -0.431 30 20 DBED N#Cc1cccnc1N1CC[C@@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 1061718071 PWMNEYUWKMRKKC-JQWIXIFHSA-N 314.349 -0.423 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H]1CCCCN1C(=O)CC(N)=O 1062083101 VAZQCPMORALNSB-NWDGAFQWSA-N 309.366 -0.603 30 20 DBED CNC(=O)NCC(=O)NC[C@H]1CCCCN1C(=O)C#CC1CC1 1062201694 FDXIGZJIRGHOAV-CYBMUJFWSA-N 320.393 -0.174 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)c2cn(C)c(=O)n2C)CCC1 1063410457 AXEMGVHCFSNOJX-JTQLQIEISA-N 319.365 -0.348 30 20 DBED C#CCO[C@H](C)C(=O)NC1(CNC(=O)Cc2nc[nH]n2)CCC1 1064606970 QGPVMILWEGRDOA-LLVKDONJSA-N 319.365 -0.459 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CN(C(=O)c2ncccc2O)CCO1 1065074325 VBSQTNSRZFKQDV-WDEREUQCSA-N 318.333 -0.096 30 20 DBED CC(C)C#CC(=O)N1CCO[C@H](CNC(=O)Cc2nc[nH]n2)C1 1065128884 KHJVNOFUXJCLAL-GFCCVEGCSA-N 319.365 -0.650 30 20 DBED Cc1nc[nH]c1C(=O)N1CCO[C@@H](CNC(=O)[C@H](C)C#N)C1 1065330939 HBYCWAAUVAKYTP-KOLCDFICSA-N 305.338 -0.165 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@H](CNC(=O)Cc2cncn2C)C1 1065556919 LIWLFOACUGEKNF-WCQYABFASA-N 319.365 -0.534 30 20 DBED N#Cc1ccc(N2CCOC[C@H]2CNC(=O)c2ccon2)nn1 1066469115 WVOJGKHCEHMHIF-LLVKDONJSA-N 314.305 -0.029 30 20 DBED CN(CCCN(C)C(=O)c1ccc(C#N)[nH]1)C(=O)CC(N)=O 1067046349 ZKJZBYZFAQQFQD-UHFFFAOYSA-N 305.338 -0.318 30 20 DBED C=CCOCC(=O)N1CCC[C@]2(CCN(C(=O)CC(N)=O)C2)C1 1069730121 AQUDYKKNQIERLK-INIZCTEOSA-N 323.393 -0.095 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(NC(=O)[C@@H](C)C#N)CCOCC1 1070232011 AENFRVMBIZKKOK-QWHCGFSZSA-N 321.377 -0.034 30 20 DBED C=CCCN1C[C@H]2C[C@@H]3CN(C(=O)[C@@H]4CNC(=O)N4)C[C@@]3(C1)O2 1070845061 SELMHHRFFCIXFD-NFFDBFGFSA-N 320.393 -0.454 30 20 DBED C=CCO[C@H](C)C(=O)N1CCC[C@@H](NC(=O)[C@@H]2CCC(=O)N2)C1 1070904428 VACHQXIOFHKULE-UPJWGTAASA-N 323.393 -0.037 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)[C@H]2C[C@@H]2OCC)CC1 1070940478 IGUKYQKYTZDCIA-KBPBESRZSA-N 307.394 -0.305 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)CN2CC[C@H](C)C2)CC1 1071000169 QYHCSRZNCJAJFU-HNNXBMFYSA-N 320.437 -0.388 30 20 DBED CC#CCN1CCC2(C1)CN(C(=O)[C@@H]1CN(C(C)=O)CCO1)C2 1073157863 AJTHRQFSEHMRBS-HNNXBMFYSA-N 319.405 -0.209 30 20 DBED C=CCN1CCC2(C1)CN(C(=O)[C@@H]1CN(C(C)=O)CCO1)C2 1073157995 GOJKEYNZHFQJFE-AWEZNQCLSA-N 307.394 -0.046 30 20 DBED CNC(=O)NCCC(=O)NC1(C)CCN(C(=O)[C@@H](C)C#N)CC1 1073228600 DMTNKNHTYJRQSY-NSHDSACASA-N 323.397 -0.038 30 20 DBED C#CCCN1CCCO[C@@H](CNC(=O)[C@@H]2CN(C)CCO2)C1 1073564022 PCYPRJFQHDAIRS-GJZGRUSLSA-N 309.410 -0.453 30 20 DBED CC(C)[C@@H](O)C(=O)N1CCC(O)(CNC(=O)[C@H](C)C#N)CC1 1074571900 SSCXRJFDOOPWIL-VXGBXAGGSA-N 311.382 -0.367 30 20 DBED C[C@@H](CCNC(=O)C#CC1CC1)NC(=O)c1ccc(=O)n(C)n1 1076428956 RPTIRVWJFDZNEX-NSHDSACASA-N 316.361 -0.182 30 20 DBED C#CCOCCC(=O)NCC[C@H](C)NC(=O)C[C@H]1CCNC1=O 1076505404 UNCIRZUZQQLRPF-QWHCGFSZSA-N 323.393 -0.437 30 20 DBED CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)CCS(C)(=O)=O)C1 1080421860 SDTLOQPYGASTSS-SNVBAGLBSA-N 315.395 -0.360 30 20 DBED C=C(C)CN1C[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)[C@H](C)C1 1080547819 WORUOHBTXOPFMK-DGCLKSJQSA-N 320.393 -0.290 30 20 DBED C#CCCCC(=O)NC1(CO)CCN(C(=O)CC(N)=O)CC1 1080834104 LKRVVSAGDKOMRD-UHFFFAOYSA-N 309.366 -0.865 30 20 DBED N#Cc1ccc(C(=O)N2C[C@H](CNC(=O)C(F)F)[C@@H](O)C2)[nH]1 1081149859 NURCEAYPHYYYKD-XVKPBYJWSA-N 312.276 -0.299 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)C23CCN(CC2)C3)C[C@H]1O 1081336181 UYZJNARPUYVGRL-UONOGXRCSA-N 321.421 -0.016 30 20 DBED C#CCOCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)C#CC2CC2)C1 1081470477 AWWPBDADYJHSIM-HUUCEWRRSA-N 318.373 -0.625 30 20 DBED Cc1c[nH]c(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C#CC3CC3)C2)n1 1081474544 RPALAYFBWMGTQD-QWHCGFSZSA-N 316.361 -0.319 30 20 DBED C#CCOCCC(=O)NC[C@H]1CN(C(=O)c2ccon2)C[C@H]1O 1081488026 CENQGLGNTNNSKX-WCQYABFASA-N 321.333 -0.736 30 20 DBED C=C(C)CCC(=O)NC[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1O 1081531530 UGKADYYAKKVGLV-VXGBXAGGSA-N 321.381 -0.280 30 20 DBED C=CC(C)(C)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cnn[nH]2)C1 1081589908 JVIMPJBFVIHVIZ-CMPLNLGQSA-N 321.381 -0.044 30 20 DBED C=CCCCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cnn(C)n2)C1 1081598030 MLMYWYLUOBULKE-YPMHNXCESA-N 321.381 -0.280 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CN(CC)CCO1 1083280973 OPVPCKPKSZOWBZ-RRFJBIMHSA-N 307.394 -0.748 30 20 DBED N#CCN1CC[C@@H]2CCN(C(=O)C[C@H]3CC(=O)NC3=O)C[C@@H]21 1085107942 WOFREULILXJGRF-UTUOFQBUSA-N 304.350 -0.514 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)[C@@H]3COCCN3C(C)=O)C[C@@H]2C1 1088206794 GGTZVUQOZCKRCE-PMPSAXMXSA-N 319.405 -0.353 30 20 DBED C#CCN1CC[C@H](NC(=O)c2ccc(-n3cnnn3)cn2)[C@H]1C 1088770040 UMVMDUAKBHTQNZ-YPMHNXCESA-N 311.349 -0.117 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2ccnc(OC)n2)[C@H](O)C1 1090424510 ZGOOPUVQCIEBSG-DGCLKSJQSA-N 304.350 -0.327 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2cc(=O)c(OC)c[nH]2)[C@H](O)C1 1090432453 KNMRXUINICMZPE-ZWNOBZJWSA-N 305.334 -0.818 30 20 DBED CCNC(=O)CC(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1C 1090702928 WSWIPIPXVFAQSO-ZYHUDNBSSA-N 316.365 -0.185 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)CN2C(=O)CN(C)C2=O)[C@@H](O)C1 1090794351 OZXTXLXGCWJUJQ-RYUDHWBXSA-N 324.381 -0.992 30 20 DBED COCCC(=O)N[C@@H]1CN(c2cc(C)ncc2C#N)C[C@@H]1O 1091062616 YILOYQWYXVCOLS-OCCSQVGLSA-N 304.350 -0.036 30 20 DBED CCOCC(=O)N[C@@H]1CCN(c2ccnc(C#N)n2)C[C@H]1O 1092129252 PKYCROSQYZZTRK-GHMZBOCLSA-N 305.338 -0.559 30 20 DBED C[C@H](C(=O)NCCNc1cncc(C#N)n1)N1C(=O)CCC1=O 1094201757 PNKBHQSBDWLYID-SECBINFHSA-N 316.321 -0.586 30 20 DBED CN1CC[C@@H](C(=O)NCCN=c2cc[nH]cc2C#N)CC1=O 1094239637 WYRRLGYUQNMGRJ-LLVKDONJSA-N 301.350 -0.228 30 20 DBED CC#CCN1CC(n2cc(CNC(=O)c3cn(C)cn3)nn2)C1 1094283741 GLUWIXMWGYMHDF-UHFFFAOYSA-N 313.365 -0.178 30 20 DBED CC(F)(F)CC(=O)N1CCN(CC#N)[C@H]2CS(=O)(=O)C[C@H]21 1094658406 SMQSHXHRFHZMDL-VHSXEESVSA-N 321.349 -0.135 30 20 DBED CN1C(=O)CC[C@@H]1C(=O)NCCCNc1nccnc1C#N 1094732307 FVDHVMKFDSHBBL-LLVKDONJSA-N 302.338 -0.113 30 20 DBED N#Cc1c[nH]ccc1=NCC1CCN(C(=O)CNC(N)=O)CC1 1095254205 NDSRNDQDVCNRNE-UHFFFAOYSA-N 316.365 -0.306 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CCN(c2nc(C)ns2)C1 1096359914 JADMNPPJYSRECE-JTQLQIEISA-N 307.379 -0.319 30 20 DBED C[C@H](CC(N)=O)C(=O)N[C@@H]1CCN(c2nccnc2C#N)C1 1096457299 HVWGSTKJHQXVRI-NXEZZACHSA-N 302.338 -0.445 30 20 DBED Cc1cc(C#N)nc(N[C@H]2C[C@@H](NC(=O)CS(C)(=O)=O)C2)n1 1097152675 IFAAMGOHVFUEFT-AOOOYVTPSA-N 323.378 -0.240 30 20 DBED Cc1nonc1CC(=O)NC[C@@H](C)N=c1cc[nH]c(C#N)n1 1098021729 ASOZRTWAXUSSMI-MRVPVSSYSA-N 301.310 -0.379 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H](C)Nc1ccc2nnnn2n1 1098060904 CQQKHRITCPTUIZ-ZJUUUORDSA-N 303.326 -0.526 30 20 DBED C#CCN(CCO)C1CCN(C(=O)[C@@H]2CC(=O)N(C)C2)CC1 1098384426 VGFAMFZGJAWKNI-CYBMUJFWSA-N 307.394 -0.617 30 20 DBED C#CCCNCc1cn([C@H]2CCN(C(=O)CNC(C)=O)C2)nn1 1098601856 WCYLGHYOIWCDMN-AWEZNQCLSA-N 318.381 -0.700 30 20 DBED COC(=O)NCC(=O)N1CC[C@@H](n2cc(CNCC#N)nn2)C1 1098626322 OGGOUHQYYQBQND-LLVKDONJSA-N 321.341 -0.979 30 20 DBED CN(C)CCC(=O)N1CC[C@@H](n2cc(CNCC#N)nn2)C1 1098723005 SUEWWJVSMJPVDN-CYBMUJFWSA-N 305.386 -0.384 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@@H](C)N=c1cc[nH]cc1C#N 1098983011 CANLKHXZRMMHHU-GFCCVEGCSA-N 313.361 -0.179 30 20 DBED CC#CCN1CC[C@H](NC(=O)CCCCNC(N)=O)[C@H](O)C1 1099909318 QXLVRERFYTYRNH-QWHCGFSZSA-N 310.398 -0.600 30 20 DBED CO[C@@H](C(=O)NCCN(C)c1cncc(C#N)n1)[C@@H]1CCOC1 1100250522 GPZXHFADZSSNQT-BXUZGUMPSA-N 319.365 -0.048 30 20 DBED C#CCCNC1CC(CNC(=O)CCc2nnc(O)nc2O)C1 1100476401 MOFORECJQJAESE-UHFFFAOYSA-N 319.365 -0.277 30 20 DBED CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NCC1CC(NCC#N)C1 1100633580 DQLZNFQEDXTETE-YIZWMMSDSA-N 318.381 -0.535 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H]2CN(C(=O)CC(N)=O)C[C@]2(C)C1 1101183581 VDQUNIRACXTZCO-OZVIIMIRSA-N 322.409 -0.667 30 20 DBED CN(CCNc1cncc(C#N)n1)C(=O)[C@H]1CCCC(=O)N1 1101825642 HBSIHWXAGMQNII-LLVKDONJSA-N 302.338 -0.113 30 20 DBED C=CCO[C@H](C)C(=O)NC[C@@H]1CN(Cc2nnn(C)n2)C[C@H]1C 1102609871 NJGAGMFDQJIFEW-JHJVBQTASA-N 322.413 -0.015 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)[C@H]1COCCN1C 1103922398 BMOJOEKITHBHFR-NWDGAFQWSA-N 318.381 -0.735 30 20 DBED C[C@@H](CN=c1cc[nH]cc1C#N)CNC(=O)c1nnn(C)n1 1104182250 VXIWNFFJXCHDSX-VIFPVBQESA-N 300.326 -0.623 30 20 DBED C[C@@H](CNc1cncc(C#N)n1)N(C)C(=O)[C@H]1COC(=O)N1 1104544616 HPHXVNBMZYYYKH-WCBMZHEXSA-N 304.310 -0.285 30 20 DBED C[C@H](CC(=O)N(C)CCN(C)c1nccnc1C#N)NC(N)=O 1105473174 QTDCXCILQRSBFG-SNVBAGLBSA-N 319.369 -0.310 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H](O)CNC(=O)c1ccc(O)nn1 1105735350 PMGJJRDMBXRRMC-JTQLQIEISA-N 314.305 -0.926 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H](O)CNC(=O)CCn1cccn1 1105756710 YXDRNRDSGUZSAE-CYBMUJFWSA-N 314.349 -0.449 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)[C@@H]2CCCNC2=O)cn1 1105998888 ICRVUCAGTIVUHZ-QWHCGFSZSA-N 317.349 -0.632 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](C)[C@H](CNCCCOC)C1 1106033201 FJNCWTKLKNZXMY-ZIAGYGMSSA-N 309.410 -0.154 30 20 DBED CCN(CCN=c1cc[nH]cc1C#N)C(=O)[C@@H]1CNC(=O)N1 1106928537 MJGOLFJECGVRPS-LBPRGKRZSA-N 302.338 -0.683 30 20 DBED CN1CCOC[C@H]1C(=O)NC/C=C/CNc1cnc(C#N)cn1 1107161465 IOMPRNSXRRATBH-IBUXWKBASA-N 316.365 -0.237 30 20 DBED C#CCCCCC(=O)NCc1cn(C2CN(CCO)C2)nn1 1107161866 BUMQKJUYHLAWNO-UHFFFAOYSA-N 305.382 -0.063 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCO[C@](C)(CNC(=O)COC)C1 1107658921 CBQIDXNFXNJWHL-IUODEOHRSA-N 313.398 -0.469 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](C)NC(=O)CCNC(N)=O)n1 1107756372 ARCCYAGQLLMXBJ-SECBINFHSA-N 305.342 -0.368 30 20 DBED CC(C)C#CC(=O)NC[C@@]1(C)CN(CCOCCO)CCO1 1107926126 ANSBXDHRHHOMIT-INIZCTEOSA-N 312.410 -0.138 30 20 DBED C[C@@H](CN=c1cc[nH]cc1C#N)NC(=O)CN1CCOCC1 1108318565 AAOPVFQUNQQHBN-LBPRGKRZSA-N 303.366 -0.376 30 20 DBED C=CCOCCN1CC(N2C[C@H](NC(=O)[C@H](C)C#N)CC2=O)C1 1108528295 VLOCIZZVJYNRQP-CHWSQXEVSA-N 320.393 -0.250 30 20 DBED C[C@@H](CNc1ncccc1C#N)NC(=O)[C@H]1CN(C)C(=O)N1 1108635272 JFCRKQJZDIHCIU-GXSJLCMTSA-N 302.338 -0.107 30 20 DBED CNC(=O)NCC(=O)N[C@H](C)CN(C)c1cnc(C#N)cn1 1109287494 MMCHGASUFNVUNH-SECBINFHSA-N 305.342 -0.782 30 20 DBED COC(=O)[C@H]1C[C@H]1C(=O)N(C)CCCN=c1cc[nH]c(C#N)n1 1109416240 WPKHNWVMSISTQM-MNOVXSKESA-N 317.349 -0.160 30 20 DBED C#CCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1nc(O)n[nH]1 1110550450 QODXIJIDVHCUNR-UTUOFQBUSA-N 319.365 -0.228 30 20 DBED COc1ccnc(N2C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)C#N)C2)n1 1111176404 HXDUSEQCYSLOPS-VWYCJHECSA-N 305.338 -0.347 30 20 DBED N#Cc1cccnc1NCCN(CCO)C(=O)c1cnon1 1111494706 DNTMGEOKEIOSII-UHFFFAOYSA-N 302.294 -0.117 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCN([C@H]2CCC(=O)NC2=O)CC1 1112813855 CFYZOOYPZVJBLZ-NHYWBVRUSA-N 309.366 -0.737 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN([C@H]2CCNC2=O)CC1 1113408908 LEHRGYASAPLBGU-KBPBESRZSA-N 322.409 -0.510 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)CCN(C)CCC)CC1 1113571369 KFQYMGBCJZGGLF-UHFFFAOYSA-N 308.426 -0.388 30 20 DBED C[C@H](CNC(=O)c1cc(=O)n(C)o1)N(C)c1ccc(C#N)nn1 1113579906 XPPRMYVTZSYVNS-SECBINFHSA-N 316.321 -0.105 30 20 DBED N#CCNC(=O)CN1C[C@H]2C(NC(=O)c3ccc(F)cn3)[C@@H]2C1 1114157478 FXYXIJMPMFRVFJ-GHMZBOCLSA-N 317.324 -0.480 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)CC(C)(C)COC)[C@H]2C1 1114611052 OSJIDMKNFFVGNO-VIKVFOODSA-N 321.421 -0.155 30 20 DBED COCC(C)(C)CC(=O)NC1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]12 1114611155 QNGOZJQBWYFXQI-VXGBXAGGSA-N 322.409 -0.265 30 20 DBED C=CCn1cc(C(=O)NC2[C@H]3CN(C[C@H](O)COC)C[C@H]23)nn1 1114942597 NRFOEHQUANLXNP-SRVKXCTJSA-N 321.381 -0.869 30 20 DBED C[C@@H](CCCN=c1cc[nH]c(C#N)n1)NC(=O)[C@H]1CCNC1=O 1115050591 QQPLVOFUHHCISY-QWRGUYRKSA-N 316.365 -0.397 30 20 DBED N#Cc1ncn(CCNC(=O)NCCCOC[C@@H]2CCOC2)n1 1117283333 MSCGEHSAQINVCX-LBPRGKRZSA-N 322.369 -0.108 30 20 DBED C#C[C@@H](NC(=O)C(=O)N1CC(OCC(F)F)C1)[C@H]1CCCO1 1119155339 GDRHJXIUEXQMIL-GHMZBOCLSA-N 316.304 -0.224 30 20 DBED CCc1cc(C(=O)NC[C@H](CO)N=c2cc[nH]cc2C#N)n[nH]1 1121135624 FVEQQRXJBAPCPH-GFCCVEGCSA-N 314.349 -0.137 30 20 DBED CC[C@@H](C(=O)NC[C@@H](CO)Nc1ccc(C#N)nn1)N(C)C 1121812657 NTAKZYUVRLZCHN-RYUDHWBXSA-N 306.370 -0.423 30 20 DBED Cc1conc1C(=O)NC[C@@H](CO)Nc1nccnc1C#N 1121976692 FTZGAYPMODDERP-VIFPVBQESA-N 302.294 -0.153 30 20 DBED Cn1cncc1C(=O)NC[C@H](CO)Nc1cncc(C#N)n1 1122218864 OGPNBTLCGLIXPB-SNVBAGLBSA-N 301.310 -0.715 30 20 DBED CCNC(=O)CC(=O)N1C[C@@H](N=c2cc[nH]c(C#N)n2)C[C@@H]1C 1123215418 WBTLZDBKSYGPLJ-QWRGUYRKSA-N 316.365 -0.302 30 20 DBED CN(C[C@H](O)CNc1nccnc1C#N)C(=O)[C@@H]1CCCO1 1124065903 PCGBOOWVPJUBQF-PWSUYJOCSA-N 305.338 -0.242 30 20 DBED CN(C[C@H](O)CNc1ccc(C#N)nn1)C(=O)c1ccon1 1124090634 LGQCPBWJGDDIPX-SNVBAGLBSA-N 302.294 -0.119 30 20 DBED CC(C)N(CCN(C)c1nccnc1C#N)C(=O)CC(N)=O 1125449861 JSXCSNOUWDGZOV-UHFFFAOYSA-N 304.354 -0.103 30 20 DBED C#CCN1CC[C@@H](c2n[nH]cc2CNC(=O)Cn2cncn2)C1 1130445720 AMDVYNJDUGTMJE-GFCCVEGCSA-N 313.365 -0.260 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1c[nH]nc1CCC 1130721568 CJBNRNUFOVDWHK-LLVKDONJSA-N 305.382 -0.181 30 20 DBED CC(=O)CCCC(=O)N1CCC(=O)NCCN(CC#N)CC1 1131325696 ROYRDBYBWATFAK-UHFFFAOYSA-N 308.382 -0.080 30 20 DBED C#CCOCCC(=O)N1CC[C@H](C)[C@@H](CNCC(=O)NC)C1 1132827085 COQAGKYUGXLBLL-KBPBESRZSA-N 309.410 -0.154 30 20 DBED C[C@H]1CCN(C(=O)CS(=O)(=O)N(C)C)C[C@H]1CNCC#N 1133274209 DISYKVJRRCCAOC-NWDGAFQWSA-N 316.427 -0.524 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)c1cnns1 1133801642 ARIMINVPADOERH-UWVGGRQHSA-N 309.395 -0.226 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)C(=O)N1CCC[C@H](C)C1 1134878060 QGXCJISMEVRFMU-STQMWFEESA-N 322.409 -0.911 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1cnc2cccnn12 1134938832 ILUPBSKAZWSAJH-LLVKDONJSA-N 314.349 -0.813 30 20 DBED C=CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)c1cn(C)c(O)n1 1135387276 MUPYVOICFWFUFB-MNOVXSKESA-N 323.397 -0.086 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)C(=O)NCC2CC2)C1=O 1135906673 CYNSRRAEXIIDRK-GFCCVEGCSA-N 308.382 -0.995 30 20 DBED CC(C)N(C)CC(=O)N[C@H](C)C[C@H](C)NCC(=O)NCC#N 1146592293 IZRFFDIOIIXJMP-QWHCGFSZSA-N 311.430 -0.161 30 20 DBED C=CCNC(=O)CN1CCC2(C1)CN(C(=O)c1ccn(C)n1)C2 1148748354 PARAICBILPUSJU-UHFFFAOYSA-N 317.393 -0.130 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@H](C)NC(=O)C1CCC1 1153694234 ZTCDZHAZGUNMMS-NSHDSACASA-N 310.398 -0.701 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)c2cnn(C)c2)C1=O 1154514199 WTSONFLFNWEHPW-CYBMUJFWSA-N 305.382 -0.084 30 20 DBED C#CCN(CC)[C@H](C)CNC(=O)CN(C)S(=O)(=O)CC 1156105752 RZKKGOVFCGMNCW-GFCCVEGCSA-N 303.428 -0.272 30 20 DBED C=CCNC(=O)CN(CC)[C@H](C)CNC(=O)[C@@H]1CCC(=O)N1 1156470299 FAZVYCJWOYOHMA-NEPJUHHUSA-N 310.398 -0.606 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@H]1CN2CCC[C@@H]2CO1 1158486572 OHYHHNPXWCCRIL-ZIAGYGMSSA-N 324.425 -0.752 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)[C@@]1(C)CNC(=O)C1 1163089226 OACTWXOTJOHXSG-XHDPSFHLSA-N 310.398 -0.701 30 20 DBED C#CCNC(=O)CNCC1(CCNC(=O)c2cncn2C)CC1 1166005870 PECIMJOESQJRBT-UHFFFAOYSA-N 317.393 -0.341 30 20 DBED C=CCNC(=O)CNCCCC[C@@H](C)NC(=O)Cn1ncnn1 1170797265 XYXNHNHPWOOATE-GFCCVEGCSA-N 323.401 -0.760 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@H](NCc2nc(O)n[nH]2)[C@@H]1C 1178678281 FLRXGYKDIGHUGC-DCAQKATOSA-N 307.354 -0.372 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)Cn2cncc2C)[C@H]1C 1179150557 UZLTUUFCKKHLDR-KBPBESRZSA-N 317.393 -0.480 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)CN(C)C(=O)C2CC2)C1 1183007099 DVPZFFGXGVIAHZ-CQSZACIVSA-N 307.394 -0.305 30 20 DBED N#CCNC[C@@H]1CN(C(=O)[C@@H]2COCCO2)CC12CCOCC2 1186265762 WHIPDEKSVKLHEE-KGLIPLIRSA-N 323.393 -0.230 30 20 DBED C#CCOCCC(=O)N1CC[C@H]2CN(CC(=O)NCC=C)C[C@H]21 1187865279 NRYNAYGITAZDLX-LSDHHAIUSA-N 319.405 -0.139 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)CNC(=O)CCC)C1 1189168774 FHDOYMQTRDZVBL-ZDUSSCGKSA-N 324.425 -0.262 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@H](N(C)Cc2cnn(C)n2)C1 1190094553 LOQPESNEKLGXRE-JSGCOSHPSA-N 305.382 -0.114 30 20 DBED CN(CC(=O)NCC#N)[C@H]1CCN(C(=O)c2ccnnc2)C1 1192513975 USCDXXBAPNUATJ-LBPRGKRZSA-N 302.338 -0.737 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)[C@]2(C)CCOC2)C1 1193047669 ISMSSNUHITYXON-CZUORRHYSA-N 307.394 -0.305 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)CNC(=O)c2ccncc2)C1 1193148072 GCSLBVQBNWNTOP-CHWSQXEVSA-N 304.350 -0.841 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCCN(C(=O)CNC(=O)CC)CC1 1195349011 KBDRJXOKVMEGTL-CYBMUJFWSA-N 322.409 -0.815 30 20 DBED C=C(C)C[C@H](C)C(=O)N[C@@H]1CN(CCN2CCNC2=O)C[C@H]1O 1195532004 KQTRSOPFLCWXPF-BFHYXJOUSA-N 324.425 -0.225 30 20 DBED N#CCNC(=O)CN1CCCN(C(=O)[C@@]23COC[C@@H]2C3)CC1 1195900116 ISGRHTHEPHPROR-WFASDCNBSA-N 306.366 -0.803 30 20 DBED N#Cc1cc(C(=O)N2CCCO[C@H](CNCC(N)=O)C2)c[nH]1 1200298425 GDVBYFJSQJECMG-GFCCVEGCSA-N 305.338 -0.808 30 20 DBED C#CCNC[C@@H]1CN(C(=O)CNC(=O)c2ccoc2)CCCO1 1200582819 MMUABHDSUWHLLN-CQSZACIVSA-N 319.361 -0.150 30 20 DBED C#CCCNC[C@H]1CN(C(=O)CCc2cnn[nH]2)CCCO1 1201429688 HLPNGPOBJFQCEJ-AWEZNQCLSA-N 305.382 -0.032 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)c2ccnnc2C)CC1 1201462182 NIPXVLYCZWNNMP-UHFFFAOYSA-N 315.377 -0.271 30 20 DBED CN1CCC(C(=O)N2CCC(NCC(=O)NCC#N)CC2)CC1 1202301117 AKDCEFJPSGDFOF-UHFFFAOYSA-N 321.425 -0.451 30 20 DBED C#CCNC1CCN(C(=O)CNC(=O)C2CCOCC2)CC1 1202983811 RZRDVSUTSAQSOQ-UHFFFAOYSA-N 307.394 -0.257 30 20 DBED COCC#CCN[C@H]1C[C@H](NC(=O)c2nnn(C)n2)C12CCC2 1203266806 VFKYEZVPIWDLBA-RYUDHWBXSA-N 318.381 -0.510 30 20 DBED C#CCCN[C@@H]1C[C@@H](NC(=O)CN2CC(=O)NC2=O)C12CCC2 1203507459 QZZQSHPSBNRURO-VXGBXAGGSA-N 318.377 -0.422 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)CCOCC)[C@H](C)C1 1206558582 DJLMQXYEVGLMAK-MGPQQGTHSA-N 309.410 -0.013 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCC[C@@H](NCc2nc(O)n[nH]2)C1 1207949510 CHULMMPTQDMHOF-YGRLFVJLSA-N 309.370 -0.082 30 20 DBED COCC#CCN[C@H]1CCCN(C(=O)[C@H]2CCC(=O)N2C)C1 1209222774 MGTQQXAIEPCETF-UONOGXRCSA-N 307.394 -0.162 30 20 DBED COCC#CCN1C[C@@H](NC(=O)c2cnnc(O)c2)[C@H](OC)C1 1212439159 WPZIQYJCYZHAST-CHWSQXEVSA-N 320.349 -0.739 30 20 DBED C=CCOCCN1C[C@@H](NC(=O)[C@@H]2[C@H]3COC[C@H]32)[C@H](OC)C1 1213297908 WYMTZUIMKPMKKO-KHMAMNHCSA-N 310.394 -0.103 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@@H](NC(=O)COC)C(C)C)C[C@H]1C 1215820842 BALUSORYPLMINL-NFAWXSAZSA-N 309.410 -0.157 30 20 DBED C[C@H]1C[C@@H]1C(=O)N1CCO[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1218440619 VBSKRUNQORPLIT-ZDEQEGDKSA-N 306.366 -0.806 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)Cn2nc(C)cc2C)C1 1219973803 ULTOSVOHUHTSEG-CABCVRRESA-N 320.393 -0.689 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)CCCCN2CCOCC2)C1 1220548071 VJIPDYFHYPHPRB-CVEARBPZSA-N 323.437 -0.327 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC(NC(=O)[C@H](C)CC(N)=O)CC1 1228589241 PMSLHNGIRMYXGV-NEPJUHHUSA-N 322.409 -0.784 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)c2ccnnc2)CC1 1229329880 IWMMLRVNOCGVPX-UHFFFAOYSA-N 301.350 -0.580 30 20 DBED C=CCN1CCC(NC(=O)CNC(=O)Cn2cncn2)CC1 1230349271 QLNNEYVSXCODDL-UHFFFAOYSA-N 306.370 -0.839 30 20 DBED COCC#CCN1CC[C@H]1CN(C)C(=O)[C@@H]1COCCN1C 1233707213 RWDXLZQPXXLFIU-GJZGRUSLSA-N 309.410 -0.501 30 20 DBED C=CCNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 1317913439 KSHWLFCJYUEMFM-UHFFFAOYSA-N 303.322 -0.742 30 20 DBED C=CCS(=O)(=O)CCNC(=O)[C@@H]1CCc2nnc(C)n2C1 1320022670 OAHGSXVYFVTMKA-LLVKDONJSA-N 312.395 -0.134 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCCC(=O)N(C)C 1321857722 RKXVWCDGZYXUEQ-YPMHNXCESA-N 311.382 -0.322 30 20 DBED N#CCNC(=O)[C@H](CCC(N)=O)N1C(=O)c2ccccc2C1=O 1322075643 FEBFQYRGVFFRRK-NSHDSACASA-N 314.301 -0.444 30 20 DBED C[C@H](CS(C)(=O)=O)N(C)C(=O)C(=O)Nc1ccc(C#N)cn1 1324234616 SYJKKRWGKWEGRF-SECBINFHSA-N 324.362 -0.217 30 20 DBED C=CCN(C(=O)C(=O)N[C@@H]1CC(=O)N(C2CC2)C1)[C@@H](C)COC 1334087609 ZVGBVOLWXAWXAE-NWDGAFQWSA-N 323.393 -0.085 30 20 DBED C=CCCN(C)C(=O)C(=O)N[C@@H]1CCN(C2CCOCC2)C1=O 1349083132 RWRIMRDKOBZHCM-CYBMUJFWSA-N 323.393 -0.083 30 20 DBED Cc1nn(C)c(C)c1C(=O)NCCn1cc(C#N)c(O)nc1=O 1363001480 MMLVXGCDJGCVPB-UHFFFAOYSA-N 316.321 -0.399 30 20 DBED CCN1CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)[C@@H](C)C1 1363172344 GZHGVVAPUHQXDT-NSHDSACASA-N 319.365 -0.237 30 20 DBED COC1(CNC(=O)Cn2cc(C#N)c(O)nc2=O)CCCC1 1363375517 ZBCMISIKQONNTL-UHFFFAOYSA-N 306.322 -0.104 30 20 DBED CN1C(=O)NCC12CCN(C(=O)Cn1cnc(C#N)n1)CC2 1363432289 BKXUUFFLTBYIQS-UHFFFAOYSA-N 303.326 -0.834 30 20 DBED COC(=O)CCNC(=O)Cn1c2c(cc(C#N)c1=O)CCC2 1363757364 FLAZIEVILPIMQJ-UHFFFAOYSA-N 303.318 -0.112 30 20 DBED CC(=O)NCC(=O)N1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H]1C 1370833745 YJAFOWRCUQBVJX-JOYOIKCWSA-N 317.349 -0.258 30 20 DBED C=C(Br)CNC[C@H](O)CNC(=O)Cc1cnc[nH]1 1379248198 NVZRTNCKJBWIRX-JTQLQIEISA-N 317.187 -0.073 30 20 DBED COCCn1cc(C(=O)NC[C@@H](C)N(C)C(=O)[C@@H](C)C#N)nn1 1382974667 NSEUNYFAUKDHAA-WDEREUQCSA-N 322.369 -0.339 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1C[C@@H](NC(=O)CN2CCOCC2)C1 1384548424 NWWARFCPSLPLFM-UPJWGTAASA-N 308.382 -0.511 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)CCS(C)(=O)=O)CC1 1389887875 HTMYTWKGATZHBR-VIFPVBQESA-N 301.368 -0.654 30 20 DBED C[C@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)CCc1nc[nH]n1 1397406001 LRPUYLHTGSSUMG-SECBINFHSA-N 315.337 -0.128 30 20 DBED CNC(=O)NC(=O)[C@H](C)N1CCC(C)(NC(=O)[C@H](C)C#N)CC1 1402078458 OWEQMHFMAMSTIU-MNOVXSKESA-N 323.397 -0.039 30 20 DBED C[C@H](C#N)C(=O)N(C)C[C@@H]1CCN(C(=O)CS(C)(=O)=O)C1 1408987281 SUJGIRAMQQJSRB-MNOVXSKESA-N 315.395 -0.502 30 20 DBED CCN(CCNC(=O)[C@@H](C)C#N)C(=O)c1ccc(C(N)=O)[nH]1 1415719989 KLVDAOHNNQZTDE-VIFPVBQESA-N 305.338 -0.148 30 20 DBED CC[C@@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)c1cnn(C)n1 1416194569 AQTKMSDPDAIIMG-JTQLQIEISA-N 315.337 -0.047 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]1CNC(=O)Cn1ccccc1=O 1417025124 KLIRBPMSTWZRLT-NWDGAFQWSA-N 302.334 -0.275 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)CCN2CCCC2=O)CC1 1417137905 NCBDTDGJMFWYBN-NSHDSACASA-N 306.366 -0.076 30 20 DBED Cc1nn[nH]c1C(=O)NCCN(C)C(=O)c1ccc(C#N)[nH]1 1431412290 KXNADWSREPIFSM-UHFFFAOYSA-N 301.310 -0.185 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)c2cc3n(n2)CCO3)CC1 1432198982 FLNLRSIFGNDRKQ-SECBINFHSA-N 303.322 -0.186 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1cccc2ncnn12 1433326881 GPCXZXDKFKSKFJ-NXEZZACHSA-N 316.321 -0.904 30 20 DBED N#Cc1cn(CC(=O)NC[C@H](O)C2CCCCC2)c(=O)nc1O 1433794488 RCNHRUVGOULBKO-LBPRGKRZSA-N 320.349 -0.122 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@@H](C)CNC(=O)CCCS(N)(=O)=O 1450073978 GEHSHPIBLHEEEC-UWVGGRQHSA-N 318.399 -0.822 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CCCN(C(=O)c2c[nH]c(=O)cn2)C1 1454954921 QOQPXSATIFUYNF-MNOVXSKESA-N 317.349 -0.007 30 20 DBED C[C@H](CCNC(=O)[C@H]1CCC(=O)N1)NC(=O)c1c[nH]c(C#N)c1 1454994611 UICGWOXXZIVVPL-BXKDBHETSA-N 317.349 -0.210 30 20 DBED C[C@H](C#N)C(=O)NCC1(C)CCN(CC(=O)NC(N)=O)CC1 1484131897 FNGACDITFNAYCC-SNVBAGLBSA-N 309.370 -0.441 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@@H](NC(=O)c2ccnc(C)n2)C1 1494790791 FNOPZJJUSNZEIS-DGCLKSJQSA-N 315.377 -0.273 30 20 DBED CCCNC(=O)NC(=O)CNC[C@H](C)CNC(=O)[C@@H](C)C#N 1495633424 OUDXHOOOJBYZKD-QWRGUYRKSA-N 311.386 -0.276 30 20 DBED COCC1(C(=O)N(C)C[C@@H](O)CNC(=O)[C@@H](C)C#N)CCC1 1511576020 ZCAKUNLLGBQQHQ-RYUDHWBXSA-N 311.382 -0.102 30 20 DBED Cn1cccc1C(=O)NC[C@@H](O)CNC(=O)c1ccc(C#N)[nH]1 1533183892 OWEYONOUQUHZSE-NSHDSACASA-N 315.333 -0.254 30 20 DBED Cn1nnc2c1CC[C@@H](Nc1cnc(-c3nn[nH]n3)c(C#N)n1)C2 1570932391 SYUHESSFEXRPGV-SSDOTTSWSA-N 323.324 -0.374 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H](C)C1CN(C(=O)CNC(=O)O)C1 1573311258 KYTPJMGGIKRDCH-UWVGGRQHSA-N 311.338 -0.745 30 20 DBED C[C@]1(C(=O)O)CN(S(=O)(=O)c2ccc(C#N)cn2)CCO1 1573605628 BNOXTJZFJRVQJB-GFCCVEGCSA-N 311.319 -0.183 30 20 DBED CC[C@@H](CNC(=O)NCCN/C(O)=C1\N=CC=CC1=O)C(=O)O 1573798459 WFDUEPYJBZUUNX-QZOQKNACSA-N 324.337 -0.077 30 20 DBED N#CCOc1ccccc1C(=O)N[C@H]1CC(=O)N(C2CNC2)C1 1580052374 JEMMBYHROJKQTD-NSHDSACASA-N 314.345 -0.109 30 20 DBED C=CCOCCNS(=O)(=O)c1ccc(-c2nn[nH]n2)cn1 1588683385 RIGHWIDVKODCTN-UHFFFAOYSA-N 310.339 -0.257 30 20 DBED C[C@H](C(=O)[C@H](C#N)C(=O)NC1CC1)n1cnc(-c2nn[nH]n2)n1 1588935984 CAVQMNVUXBGXHB-SVRRBLITSA-N 315.297 -0.993 30 20 DBED Cc1nnc(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[nH]2)s1 1592441243 MEQBZGPPWZTMCE-UHFFFAOYSA-N 302.283 -0.126 30 20 DBED N#Cc1c[nH]ccc1=NCCNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 1592704140 XEKMUKPIXNFZOS-UHFFFAOYSA-N 323.320 -0.275 30 20 DBED C#CCN(C(=O)C(=O)N1CC[C@]2(CC(C(=O)O)=NO2)C1)C(C)C 1602711679 OOGGPXZOVOYIQX-HNNXBMFYSA-N 321.333 -0.311 30 20 DBED N#CCN1CCO[C@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1606350096 PNWYJODDDVWFEC-SNVBAGLBSA-N 316.325 -0.851 30 20 DBED Cc1cc(NC(=O)c2cnn(C[C@H](O)CO)c2)nn1CCC#N 1645981249 VPYDDQMYEKYTIB-LBPRGKRZSA-N 318.337 -0.093 30 20 DBED C#CCNC(=O)CN1CCN(CCNC(=O)c2cc[nH]c2)CC1 1752365677 FWSDDFYYUBJLNC-UHFFFAOYSA-N 317.393 -0.889 30 20 DBED CC#CCCCC(=O)NCCN1CCN([C@H](C)C(N)=O)CC1 1752370505 LDWGYIYZLXPCPY-CQSZACIVSA-N 308.426 -0.212 30 20 DBED C=CCNC(=O)CN[C@H]1C[C@H](NC(=O)c2c[nH]c(C(N)=O)c2)C1 1752682904 UYONGIDMSMWKOH-XYPYZODXSA-N 319.365 -0.734 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1C[C@H](NC(=O)[C@H]2CCN(C)C2)C1 1752682978 WMWRAKGNZCUUKK-XJFOESAGSA-N 306.410 -0.687 30 20 DBED N#CCNC(=O)CN[C@@H]1CCC[C@H](NC(=O)Cc2nc[nH]n2)C1 1752981434 XXVJGNJAZMZELX-MNOVXSKESA-N 319.369 -0.996 30 20 DBED C#CCCNC[C@@H]1CCC[C@H]1NC(=O)CCCS(N)(=O)=O 1753896027 RZKIEKPYBWANMJ-QWHCGFSZSA-N 315.439 -0.047 30 20 DBED CC#CCNC[C@@H](C)NC(=O)c1ccc(=O)n(CCOC)n1 1754234916 YTSDNSJBKZVJOL-GFCCVEGCSA-N 306.366 -0.379 30 20 DBED CC#CCN[C@H]1CCN(C(=O)Cn2ccc(O)nc2=O)[C@@H](C)C1 1754598736 WHDXDMGVFIFXDZ-STQMWFEESA-N 318.377 -0.059 30 20 DBED C=CCCOCC(=O)N1CCN([C@H]2CCN(CCO)C2)CC1 1754663835 AABAGHPGWSUPPU-HNNXBMFYSA-N 311.426 -0.210 30 20 DBED N#CCNC1(CNC(=O)[C@H]2CCc3nnnn3CC2)CCC1 1754986469 GXLIESVUZUUHJU-NSHDSACASA-N 303.370 -0.222 30 20 DBED C#CCCN[C@H]1CN(C(=O)CS(=O)(=O)N(C)C)C[C@H]1C 1755121688 DJDCCWSPRUFFEC-NEPJUHHUSA-N 301.412 -0.662 30 20 DBED C#CCN[C@H](C)[C@H](C)NC(=O)Cn1ncn2nccc2c1=O 1755256633 NLCLMLGNLABRNK-MNOVXSKESA-N 302.338 -0.993 30 20 DBED COCC#CCN1C[C@@H]2C(CNC(=O)[C@@H](COC)OC)[C@H]2C1 1755431787 MUVYUXVKGSXGNC-RBSFLKMASA-N 310.394 -0.408 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(CNC(=O)c3nonc3C)[C@@H]2C1 1755436477 UVFZKJRJYHEXJK-RYUDHWBXSA-N 317.349 -0.965 30 20 DBED C=C(C)CNCCC[C@H](C)NC(=O)CN1C(=O)C(=O)N(C)C1=O 1755518108 IFHNAVLVBROBLR-NSHDSACASA-N 324.381 -0.142 30 20 DBED COCC#CCN[C@@H](C)CN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)C1 1755604594 YLZSDYUYBSIRFL-MJBXVCDLSA-N 309.410 -0.026 30 20 DBED CCN(CCC#N)C(=O)CN[C@@H](CO)CNC(=O)C#CC(C)C 1755627760 LKUSETHDKOTLIV-CQSZACIVSA-N 322.409 -0.525 30 20 DBED C=CCOCC(=O)NC[C@@H](C)N(C)C(=O)[C@@H]1COCCO1 1756011634 QWXMLWAREFMRQG-NEPJUHHUSA-N 300.355 -0.433 30 20 DBED C#CCCCC(=O)N1CC(CCO)(NC(=O)c2cnccn2)C1 1756075730 RCBKVJKJYOUALU-UHFFFAOYSA-N 316.361 -0.027 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H](CO)NC(=O)c1ccccc1O 1756520854 FPRBHKJFLDJHRH-VXGBXAGGSA-N 320.345 -0.363 30 20 DBED C=CCOCC(=O)N[C@]12CCC[C@@H]1N(C(=O)CNC(N)=O)CC2 1756608033 LAWBFUSPWCTDSF-NHYWBVRUSA-N 324.381 -0.503 30 20 DBED C#CCCCCC(=O)N(C)C[C@H](O)CNC(=O)c1cn(C)nn1 1756659640 QIRZRQNBVMILLG-GFCCVEGCSA-N 321.381 -0.442 30 20 DBED CC(C)C#CC(=O)N(C)C[C@H](O)CNC(=O)[C@H]1CC(=O)N(C)C1 1756663619 WIHKCNAXTWTQEN-QWHCGFSZSA-N 323.393 -0.940 30 20 DBED C=CCCC(=O)N1CC[C@H](NC(=O)CN2CCCC2=O)[C@H](O)C1 1757558718 FHYNLXJVZGRKPW-QWHCGFSZSA-N 323.393 -0.347 30 20 DBED C[C@@H](OC(=O)C1(C#N)CCC1)C(=O)N[C@H]1CCS(=O)(=O)C1 1771675679 MMJXCFYEMFNSII-ZJUUUORDSA-N 314.363 -0.085 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CCCN(C)C1)CCO2 1783053365 ZAQPWBSVEHMQLW-YOEHRIQHSA-N 319.405 -0.209 30 20 DBED CO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC#N)C[C@@H]21 1791316630 DFUVFRVMHPOXIG-VOAKCMCISA-N 309.366 -0.085 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(CO)o1 1798119312 LQZGEKNPBNARRB-QHBPRCKVSA-N 318.329 -0.392 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)C(C)=O)C2 1800450818 OMBJLDSQBGFELT-DABQJJPHSA-N 306.362 -0.176 30 20 DBED C=CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)CC(N)=O)C2 1800996604 NCQSUXVWRVKTBU-MCYUEQNJSA-N 323.393 -0.336 30 20 DBED CC(C)(C#N)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CNC(=O)O1 1847345200 MGUSXHAMVHWUSG-DCAQKATOSA-N 320.349 -0.154 30 20 DBED N#C[C@H]1CN(c2ccc(S(N)(=O)=O)cc2C(=O)O)CCO1 93935615 TUJYSTATAUHPDF-QMMMGPOBSA-N 311.319 -0.239 30 20 DBED CO[C@@H]1C[C@@H](C(=O)O)N(S(=O)(=O)c2ccc(C#N)nc2)C1 159684453 IUOOZNOVYMXJOK-KOLCDFICSA-N 311.319 -0.184 30 20 DBED N#Cc1ccc(S(=O)(=O)NC[C@@H]2CN3CCN2CC3)cc1 179059392 BALZZIQYBUHWEJ-CYBMUJFWSA-N 306.391 -0.164 30 20 DBED C#CCN/C(=N/C)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 261959857 JVCOWOSYDMGMAE-CQSZACIVSA-N 305.426 -0.177 30 20 DBED CCOC(=O)N1CC[C@H](Nc2c(C#N)c(=O)n(C)c(=O)n2C)C1 274534334 ZJKPCYVASFXBHQ-VIFPVBQESA-N 321.337 -0.402 30 20 DBED C#C[C@@H](C)NC(=O)C(=O)Nc1ccc(C)c(S(=O)(=O)NC)c1 275916086 GXPHORBJEMPLNC-SNVBAGLBSA-N 323.374 -0.020 30 20 DBED C=CCNC(=O)CNS(=O)(=O)CCCCCC(=O)OC 276254514 RKMBXUHFQIQOAU-UHFFFAOYSA-N 306.384 -0.059 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)[C@H](C)N2CCN(C)CC2)C1=O 281821011 VPXFSQFFQRPQDO-UONOGXRCSA-N 308.426 -0.132 30 20 DBED C=CCN(C)C(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C 286390462 KTCBDMHBVJHVFK-ZDUSSCGKSA-N 324.425 -0.310 30 20 DBED C=CCSCCNC(=O)C(=O)NCCN(C)CCOC 286528207 PSIGRAQZNRPBRT-UHFFFAOYSA-N 303.428 -0.284 30 20 DBED N#Cc1cncc(S(=O)(=O)NCCCN2C(=O)CNC2=O)c1 289363619 AMCPMZKZJNOHMK-UHFFFAOYSA-N 323.334 -0.827 30 20 DBED CNS(=O)(=O)c1ccc(S(=O)(=O)N(C)CC#N)cc1 299559253 RZAGNUPKESYIEQ-UHFFFAOYSA-N 303.365 -0.261 30 20 DBED Cn1c(NCc2nncn2C2CC2)c(C#N)c(=O)n(C)c1=O 329238524 PSDOAZXAMPMBTK-UHFFFAOYSA-N 301.310 -0.506 30 20 DBED CN1CCO[C@@H]2CN(/C(O)=N/[C@H]3CC(=O)N(C4CC4)C3)C[C@@H]21 329544811 GHXBCUWQPCUEHC-WCFLWFBJSA-N 308.382 -0.322 30 20 DBED CCc1nc2n(n1)C[C@H](/N=C(/O)N[C@@H]1CC(=O)N(C)C1)CC2 329943121 DHIFXTKUOUCZSO-NXEZZACHSA-N 306.370 -0.110 30 20 DBED CC[C@@H](O)CN1CCN(S(=O)(=O)N(C)CCC#N)CC1 330648071 FZSWCWIQTXSQJG-GFCCVEGCSA-N 304.416 -0.535 30 20 DBED CC[C@H](N/C(O)=N/[C@@H](C)C(=O)N(C)C)C(=O)N1CCOCC1 331145342 VRCFPHHPMHUYAR-QWRGUYRKSA-N 314.386 -0.396 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N1CCC[C@@H](S(N)(=O)=O)C1 337772848 OVZPNMCIZQRMPP-NXEZZACHSA-N 324.428 -0.782 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)NC[C@H](O)COCC1CC1 337970899 JLAUFNXSHKVIDC-PWSUYJOCSA-N 305.400 -0.158 30 20 DBED CCN1CCN(C(=O)C(=O)Nc2ccc(C#N)cn2)[C@@H](C)C1=O 340327561 UIXSCLXZRUWBJB-JTQLQIEISA-N 315.333 -0.029 30 20 DBED C=CCN1CCC(NC(=O)C(=O)N2CC[C@](C)(C(N)=O)C2)CC1 343741418 QMSKZUBCNIFRNC-INIZCTEOSA-N 322.409 -0.523 30 20 DBED N#CCNC(=O)CNS(=O)(=O)c1ccc([N+](=O)[O-])s1 352533783 WAWBPQPDZDZWQX-UHFFFAOYSA-N 304.309 -0.426 30 20 DBED COC(=O)CCN1CC[C@@H](NC(=O)c2cc(C#N)ccn2)C1=O 355437385 XVNZSEFUUJXTRO-LLVKDONJSA-N 316.317 -0.153 30 20 DBED Cc1cc(S(N)(=O)=O)sc1C(=O)N1CC(O)(CC#N)C1 356869342 FBBIGDZWZDARQC-UHFFFAOYSA-N 315.376 -0.196 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)c2cc(C)no2)CC1 363540647 ZHQIPLRZHDZWMB-UHFFFAOYSA-N 304.350 -0.120 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[C@@H](CC(N)=O)C1 377340025 QDUNHHDKSAICBP-MNOVXSKESA-N 302.400 -0.090 30 20 DBED C[C@@H](O)C(=O)N1CCN(C(=O)c2ccc(C#N)c(O)c2)CC1 408427511 PBRWWBNBRWAQMX-SNVBAGLBSA-N 303.318 -0.071 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N(C[C@@H](O)CO)C(C)C 420760870 GMWCNRHHUDKRQY-VXGBXAGGSA-N 307.416 -0.224 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CCCC[C@H]2[C@@H](C)N)nn1 424548957 QPAFYYAXCXTARU-YPMHNXCESA-N 320.397 -0.191 30 20 DBED N#CCC1(O)CN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 471828252 VLCDBNVBGXZZSH-UHFFFAOYSA-N 312.307 -0.293 30 20 DBED C#CCNC(=O)CN1CCN(c2nc(CCOC)ns2)CC1 491638998 WBSQFTKTWCXNHQ-UHFFFAOYSA-N 323.422 -0.402 30 20 DBED N#Cc1c[nH]c(=O)n([C@@H]2CCN(CC(F)(F)F)C2=O)c1=O 567859456 CUARIHKKANZERZ-SSDOTTSWSA-N 302.212 -0.256 30 20 DBED COc1nccc(CNc2c(C#N)c(=O)n(C)c(=O)n2C)n1 570826763 KAJDTADKPTWMMV-UHFFFAOYSA-N 302.294 -0.634 30 20 DBED CC(=O)N1CCN(C(=O)C(=O)Nc2cccc(C#N)n2)[C@H](C)C1 575921822 SYKZPQMJQACGKH-SNVBAGLBSA-N 315.333 -0.029 30 20 DBED N#Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)O)C(=O)O)cc1F 578275344 PMSKXRJVLHCCJK-VIFPVBQESA-N 316.266 -0.096 30 20 DBED CCN(CCNC(=O)C(=O)NC1CCN(CC#N)CC1)C1CC1 586870847 VTNBANHNMHZWSD-UHFFFAOYSA-N 321.425 -0.309 30 20 DBED COC(=O)[C@@H]1CN(C(=O)NCC(=O)NCC#N)C[C@H]1C1CC1 593410520 SRLTVFUALFLCKN-WDEREUQCSA-N 308.338 -0.533 30 20 DBED Cc1nc(NC(=O)C(=O)N[C@H]2CCCN(C)C2=O)ccc1C#N 600025185 XJYMNTFMJDYJSX-NSHDSACASA-N 315.333 -0.063 30 20 DBED C[C@H]1OCCN(C(=O)C(=O)N2CCN(CCC#N)CC2)[C@@H]1C 601458068 LKFJHSNOXZTUKI-CHWSQXEVSA-N 308.382 -0.320 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCCC[C@@H]1CNS(N)(=O)=O 615941136 NEJPGHUKDDYSRY-PWSUYJOCSA-N 305.400 -0.512 30 20 DBED CC#CC[C@H](CO)NC(=O)N[C@H]1CCN(C2CCOCC2)C1=O 645341808 GEKBSWAZLQHFHZ-OCCSQVGLSA-N 323.393 -0.160 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)C2(C)CCOCC2)CC1 728530719 PHOWRUIETQLWKF-UHFFFAOYSA-N 307.394 -0.303 30 20 DBED N#Cc1c(-c2nn[nH]n2)nc(N)n1CC(=O)NCC1CCC1 737705130 KQSVWKMCVWANRX-UHFFFAOYSA-N 301.314 -0.567 30 20 DBED C#CCOc1ccc(NC(=O)C(=O)NC[C@]2(O)CCOC2)cc1 755087369 LAFPHMTVILXJIK-MRXNPFEDSA-N 318.329 -0.095 30 20 DBED C=CCN1CC[C@H](N(C)CN2C[C@H](C(=O)OC)CC2=O)C1=O 799142270 OOKJIFXMSMSXJM-NEPJUHHUSA-N 309.366 -0.316 30 20 DBED C#CCCS(=O)(=O)N1CCN(S(=O)(=O)CC)C[C@H]1C 808312689 FYZIAGDXMNPCKD-LLVKDONJSA-N 308.425 -0.305 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCC[C@H]([C@@H](C)O)C1)[C@@H]1CCCO1 809305801 JUWWYRZYUVUIBH-RFGFWPKPSA-N 308.378 -0.097 30 20 DBED CCOC(=O)C1=C(CN(CC#N)CC(=O)O)NC(=O)N[C@H]1C 829833273 ZFGXCYJYCWHFRP-QMMMGPOBSA-N 310.310 -0.585 30 20 DBED C[C@@H](CN)N(C)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 832720373 BVVVJCDPWHVNCU-JTQLQIEISA-N 324.406 -0.079 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC(n2cnc(C(N)=O)c2N)CC1 848040502 LAHVIRYTEHXSNM-SNVBAGLBSA-N 319.365 -0.234 30 20 DBED C#CCn1ccc(CN(CC)C(=O)C(=O)NC[C@@H](C)C(=O)O)n1 848610457 NLZGNDMBBKYHBV-LLVKDONJSA-N 320.349 -0.298 30 20 DBED C#CCNC(=O)[C@@H](C)OC(=O)c1cccc(S(N)(=O)=O)c1 852777974 CDEMRZAAKURSLO-SECBINFHSA-N 310.331 -0.371 30 20 DBED C=C[C@@](C)(O)C(=O)N1CCS(=O)(=NS(C)(=O)=O)CC1 854590504 ZELSCNOPJQLAQB-SNVBAGLBSA-N 310.397 -0.807 30 20 DBED CCOC(=O)CON=C(C(=O)NC[C@H]1C[C@@H](O)C1)c1cc[nH]n1 863186650 GTGCJAIPAGGTNG-AOOOYVTPSA-N 324.337 -0.419 30 20 DBED C#C[C@@H](NC(=O)C(=O)NCc1cnnn1CC)[C@@H]1CCCO1 875324597 MDSJCLYGAOFWIM-NEPJUHHUSA-N 305.338 -0.789 30 20 DBED C#CC[C@@H](CO)NS(=O)(=O)N1CCC2(CC1)OCCO2 882343630 XTTUDHMMFDZZBF-NSHDSACASA-N 304.368 -0.956 30 20 DBED C#CCNC(=O)COC(=O)c1ccc2c(c1)C(=O)NCCO2 924295535 DQCOFOMQOLGCHV-UHFFFAOYSA-N 302.286 -0.285 30 20 DBED CN1C(=O)CC[C@H]1C(=O)N[C@H]1CCN(C(=O)C#CC2CC2)C1 938458601 SPKBKJJRCFKKJF-STQMWFEESA-N 303.362 -0.262 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)c2ccc(C(N)=O)[nH]2)C1 938839919 IJYHIALYRXPDIU-IUCAKERBSA-N 303.322 -0.396 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](N(C)C(=O)C2CS(=O)(=O)C2)C1 939394981 BIOGYCDGOLUENN-GXSJLCMTSA-N 313.379 -0.750 30 20 DBED CC#CCN1CC[C@H](NC(=O)C2CC(=O)NC(=O)C2)[C@H](C)C1 943547461 HVTQXHKYQZKWKD-YPMHNXCESA-N 305.378 -0.111 30 20 DBED CC#CCN1CC[C@H](NC(=O)CN2C(=O)CNC2=O)[C@H](C)C1 944790309 PIQYFLKLBGTQEY-NEPJUHHUSA-N 306.366 -0.612 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)[C@H](C)C1 944810557 IUCDDTVYMHYOJT-CHWSQXEVSA-N 320.393 -0.270 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)C1 944992954 ZEOOLWUJMFYUDM-NEPJUHHUSA-N 318.377 -0.124 30 20 DBED C[C@@H](NC(=O)c1ccc(C#N)[nH]1)[C@H]1CCCN(C(=O)C(N)=O)C1 945667899 KCJNZVHYVNKQJQ-ZJUUUORDSA-N 317.349 -0.271 30 20 DBED C#CCCN1CCC2(CC1)CN(C(=O)c1nnn(C)n1)CCO2 949161729 BYHXOUJTUOYNKC-UHFFFAOYSA-N 318.381 -0.460 30 20 DBED CN1CC[C@@H](C(=O)N[C@@H]2CCCN(C(=O)C#CC3CC3)C2)C1=O 950761252 HIDLYHHNFCNJMY-KGLIPLIRSA-N 317.389 -0.015 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]1CNC(=O)c1ccn2nnnc2c1 951455956 ZACMOJRWKKEPTD-GXSJLCMTSA-N 313.321 -0.385 30 20 DBED C=C(C)CN1CCN(C(=O)C2(n3cnnn3)CCOCC2)CC1 951635760 IEEUSOUTCJFWAB-UHFFFAOYSA-N 320.397 -0.101 30 20 DBED C=CCN1CC[C@H](N2CCN(C(=O)c3cnn(C)n3)CC2)C1=O 951738986 IRBHJPHDECEEOR-ZDUSSCGKSA-N 318.381 -0.640 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H](NC(=O)c2c[nH]c(=O)cn2)C1 951868114 PTNVRNSVIUJRRR-VHSXEESVSA-N 303.322 -0.350 30 20 DBED C#CCN1C[C@H](CNC(=O)c2cc(CN(C)C)on2)[C@@H](O)C1 958199438 IQPTWZMVNXPIBM-FZMZJTMJSA-N 306.366 -0.608 30 20 DBED C=CCCN1C[C@H](CNC(=O)c2cnc(O)n(C)c2=O)[C@@H](O)C1 958317581 ZRAOVQFRTVNQPO-JQWIXIFHSA-N 322.365 -0.916 30 20 DBED Cn1ncc(CN2C[C@H]3[C@H](NC(=O)c4cc(C#N)c[nH]4)[C@H]3C2)n1 958500917 VFARSHDSEJGONL-IMRBUKKESA-N 311.349 -0.125 30 20 DBED C#CCCN1C[C@@H](O)[C@H](CNC(=O)c2cnn(C)c2OC)C1 958624933 FUVCRNIKGLGVLY-DGCLKSJQSA-N 306.366 -0.526 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H]2CN(C(=O)c3ccnnc3)C[C@@H]21 960873996 GUJFCLMYMIOOQA-KGYLQXTDSA-N 315.333 -0.312 30 20 DBED C=C(C)C(C)(C)C(=O)N1CC2(C[C@@H](NC(=O)C(N)=O)CO2)C1 965792197 UMLWWCBKBSUDBH-SNVBAGLBSA-N 309.366 -0.440 30 20 DBED COc1cccc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)n1 970266532 ADSYARVMLOZBPP-JLLWLGSASA-N 318.333 -0.449 30 20 DBED C#CCN1CC([C@H](C)NC(=O)[C@H]2CCc3nnn(C)c3C2)C1 970334147 ITSOZJTWRYNEAX-RYUDHWBXSA-N 301.394 -0.010 30 20 DBED N#CCN[C@@H]1CCN(C(=O)c2cn(C3CCOCC3)nn2)C1 970428609 JEMHPVKOXMJDKX-LLVKDONJSA-N 304.354 -0.043 30 20 DBED CC(C)c1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)n[nH]1 970853800 PBYNEMWKXRKIRW-BIMULSAOSA-N 319.365 -0.006 30 20 DBED Cn1ncc(C(=O)N2CC[C@@]3(CN(CC#N)CCO3)C2)c1N 972355827 PCSHKQUPTSLXJY-CQSZACIVSA-N 304.354 -0.557 30 20 DBED CN1C(=O)CC[C@H]1CC(=O)N1CC[C@]2(CN(CC#N)CCO2)C1 972492857 SQZFHUBMWNZRCV-BBRMVZONSA-N 320.393 -0.176 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3COCCO3)C2)c1 973899129 ZZGVXSFRIXGJLR-NTZNESFSSA-N 318.333 -0.321 30 20 DBED C#CCN1C[C@@H]2C(CNC(=O)c3cnc(O)n(C)c3=O)[C@H]2C1 978593036 GMMSZFBJGWPGIU-VXGBXAGGSA-N 302.334 -0.973 30 20 DBED C=C(C)CN1C[C@H]2C(CNC(=O)c3cn(CC(N)=O)nn3)[C@@H]2C1 979074536 DAJGXTOJDBWZPM-RYUDHWBXSA-N 318.381 -0.753 30 20 DBED C#CCN1CCC(C(=O)N2CC(NC(=O)c3cn[nH]c3)C2)CC1 990321056 POJSGVGLDYXKHW-UHFFFAOYSA-N 315.377 -0.305 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H]2CCN(C(=O)C(F)F)C[C@H]2O)c1 991377926 DTUWBOOVSHZVLK-WCBMZHEXSA-N 312.276 -0.157 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)COC)C[C@H]2O)cn1 991635070 FSQATABRSSEIKE-UONOGXRCSA-N 317.345 -0.599 30 20 DBED C=CCN1CCC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@H]1C 993332305 AYDMVVYXZGJWMS-GHMZBOCLSA-N 306.370 -0.468 30 20 DBED C=C(C)CN1CCC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@@H]1C 993333693 HXONKGNOFZFRKL-RYUDHWBXSA-N 320.397 -0.078 30 20 DBED C#CCCN1CCC[C@H](NC(=O)Cn2ncn(C)c2=O)[C@@H]1C 993515669 SURMZJNIUIZHKF-STQMWFEESA-N 305.382 -0.426 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN(C(=O)C[C@H]2CCOC2)C1 994753254 XMCXRMWAAWCPFF-HIFRSBDPSA-N 319.405 -0.162 30 20 DBED C#CCNC1CCN(C(=O)c2nc(O)nc(O)c2OC)CC1 997192435 QRRLFCJHRVGQSQ-UHFFFAOYSA-N 306.322 -0.276 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@H]1CN2C(=O)Cn1cnnn1 1007087497 KPOKWFBIKOKSBI-AXFHLTTASA-N 303.326 -0.965 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2CCCN([C@@H]3CCNC3=O)C2)[nH]1 1007143545 NGAPWQNYVZADND-WCQYABFASA-N 301.350 -0.031 30 20 DBED C=CC(C)(C)C(=O)N1CCN(C(=O)[C@@H]2CN(C)C(=O)N2)CC1 1011907058 RMDAURSZMNPFMP-NSHDSACASA-N 308.382 -0.107 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(CCn2cncn2)C1 1014779588 MQNWPCDBOYCFJI-GJZGRUSLSA-N 316.409 -0.434 30 20 DBED N#CCN1CCC2(CC1)C[C@H]2NC(=O)Cn1c(O)nnc1O 1016948504 SULGLSRSZNAMDF-SECBINFHSA-N 306.326 -0.816 30 20 DBED C[C@@H](C#N)C(=O)N1CC=C(CNC(=O)[C@H]2COCCO2)CC1 1017305421 LHKRFUJMIWFPKF-WCQYABFASA-N 307.350 -0.164 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(C1)CN(C(=O)[C@H]1CCCC(=O)N1)C2 1019118517 UIZXJXLGCHUXFL-NWDGAFQWSA-N 318.377 -0.124 30 20 DBED C#CCN[C@H]1CCN(C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 1019176693 IADGFRCEBFBAAN-XHSDSOJGSA-N 321.421 -0.310 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCN(C(=O)c3ncn(C)n3)C2)C1 1019363132 MTNMEOZVZXHXFK-SNVBAGLBSA-N 302.338 -0.351 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H](NCc2nnnn2C)C1 1020729273 YNOZQIHJOCRNOP-MNXVOIDGSA-N 320.397 -0.072 30 20 DBED C=CCN1CC[C@@H](N[C@H]2C[C@H](NC(=O)Cc3nc[nH]n3)C2)C1=O 1020905123 TZBRZIYNLOKRCD-IJLUTSLNSA-N 318.381 -0.629 30 20 DBED CC(=O)N1CCO[C@@H](C(=O)NC[C@H]2CCCCN2CC#N)C1 1024785280 GYKXWXRZWLBCLJ-ZIAGYGMSSA-N 308.382 -0.272 30 20 DBED C#CCN[C@@H]1CC[C@H]2CN(C(=O)Cn3ncn(C)c3=O)C[C@@H]21 1026298696 SNKYVBSOJDESTC-RWMBFGLXSA-N 303.366 -0.958 30 20 DBED CN(CC#N)[C@H]1CCCN(C(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 1027505194 MIZXFOHBFWYEPB-AAEUAGOBSA-N 316.365 -0.188 30 20 DBED C#CCN1CCC[C@@H]1CNC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 1027879568 UVFKQMOJUJYPFY-QWHCGFSZSA-N 315.377 -0.024 30 20 DBED N#CCN1[C@H]2CC[C@H]1CN(C(=O)[C@@H]1CCc3nnnn3CC1)C2 1029483008 DYVPQTBJLCVESR-AGIUHOORSA-N 315.381 -0.176 30 20 DBED C#CCCN1CC(NC(=O)[C@H]2COCCN2CC(F)F)C1 1030742360 MLWGWHLXDHYDRE-GFCCVEGCSA-N 301.337 -0.224 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)c3[nH]cnc3C)C2)C1=O 1031490218 AXKOELGESPOHGK-LBPRGKRZSA-N 303.366 -0.081 30 20 DBED C=C(C)CN1CCO[C@@H](CNC(=O)c2cn(C)c(=O)nc2O)C1 1035604247 JGSDUWZPKYYLQF-NSHDSACASA-N 322.365 -0.507 30 20 DBED CC#CCN1CCO[C@H](CNC(=O)[C@@H]2CCCS2(=O)=O)C1 1035606125 ADUJZQWUBNXMOY-OLZOCXBDSA-N 314.407 -0.596 30 20 DBED C#CCCN1CCO[C@@H](CNC(=O)c2c[nH]c(C(N)=O)c2)C1 1035613271 IAFHKGSQDYVNOH-LBPRGKRZSA-N 304.350 -0.433 30 20 DBED O=C(Cn1cnnn1)N[C@@H]1[C@H]2C[C@H]1N(CC#Cc1ccccc1)C2 1037311565 MSJXEIGGIVYZGS-ZMSDIMECSA-N 322.372 -0.086 30 20 DBED N#Cc1ccc(CN2C[C@H]3C[C@H]2[C@@H]3NC(=O)Cn2cnnn2)cc1 1037312521 WGCULABZIBEIGU-IJEWVQPXSA-N 323.360 -0.066 30 20 DBED CO[C@H](C)CC(=O)N1CC[C@](O)(CNC(=O)C#CC2CC2)C1 1039678430 WBPLNEPFORJNDS-WBMJQRKESA-N 308.378 -0.096 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)Cc2cnoc2)C1 1040642600 YKGFDKFTWXLQJF-IINYFYTJSA-N 306.322 -0.544 30 20 DBED C[C@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)Cc2cncnc2)C1 1040762775 LLXZIBOEOWHFMI-IAQYHMDHSA-N 317.349 -0.742 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CN(c3cc(F)ncn3)C[C@H]2O)c[nH]1 1040957135 SRYNGRNAACCFMD-GHMZBOCLSA-N 316.296 -0.205 30 20 DBED N#Cc1ccc(C(=O)N2CC(O)(CNC(=O)c3cc[nH]n3)C2)[nH]1 1041602436 RFDLWMWEQOTCCD-UHFFFAOYSA-N 314.305 -0.774 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)[C@@H](C)OCC)C1 1041638233 RIDWSJNZAFYGSS-GFCCVEGCSA-N 312.366 -0.859 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)C[C@@H]2CCCO2)C1 1042039577 CIXVFBSISBAZPB-LBPRGKRZSA-N 312.366 -0.552 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)[C@@H](C)C2CC2)C1 1043039501 GXAQGTBZJLVYAX-RYUDHWBXSA-N 308.378 -0.240 30 20 DBED C#CCC1(C(=O)NCC2(O)CN(C(=O)CC(=O)NC)C2)CCC1 1043348856 WLRHFUPNPMKJDT-UHFFFAOYSA-N 321.377 -0.994 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)CCC(F)F)C1 1043915485 IRIYGQBSRLGOJR-SNVBAGLBSA-N 318.320 -0.241 30 20 DBED C#Cc1ccc(C(=O)NCC2(O)CN(C(=O)CSC)C2)cn1 1044255143 QEOULGMCLGWWJX-UHFFFAOYSA-N 319.386 -0.271 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)[C@@]2(F)CCOC2)C1 1045137440 GMDGEELCMCBMER-OAHLLOKOSA-N 312.341 -0.392 30 20 DBED C=CCCCC(=O)NCC1(O)CN(C(=O)c2cnn(CC)n2)C1 1045451269 PCQDEQRQRANDPT-UHFFFAOYSA-N 321.381 -0.043 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2conc2C)C1 1045535344 GGBQBMMARBYYFQ-NSHDSACASA-N 323.349 -0.123 30 20 DBED N#CCN1[C@H]2CC[C@H]1CN(C(=O)C[C@H]1CC(=O)NC1=O)CC2 1045902388 CTXRCJWPGDXHFB-WOPDTQHZSA-N 304.350 -0.372 30 20 DBED N#CCN1CC[C@@H](N2CCN(C(=O)Cn3cccn3)CC2)C1 1046005102 LBSDTUBESJHSAM-CQSZACIVSA-N 302.382 -0.375 30 20 DBED CO[C@H](CC(C)C)C(=O)NCC1(O)CN(C(=O)[C@@H](C)C#N)C1 1046186121 IGQQRKACXSTKAW-NWDGAFQWSA-N 311.382 -0.103 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)[C@H]2C[C@@]23CCOC3)C1 1046583848 IMNOYLHSFNIUKD-CZUORRHYSA-N 320.389 -0.094 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2cc(CN(C)C)on2)C1 1047437715 YSNQWIKBBXLSPG-GJZGRUSLSA-N 320.393 -0.123 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)OCC)C1 1048343499 JULJUHKYMHKHJA-AGIUHOORSA-N 314.382 -0.356 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1O 1049387847 BAYOKZOTHALYBK-ICCXJUOJSA-N 315.333 -0.310 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)CSCC#N)C[C@@H]1O 1049387910 CVFKNNMEUJRSKU-VWYCJHECSA-N 310.379 -0.567 30 20 DBED CC#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)C[C@@H]1NC(=O)NC1=O 1049527455 QIXCVMCKBCLKQB-AVGNSLFASA-N 318.377 -0.327 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@H]1COCCN1CCOC 1050962063 DTUJBCLKDURGTD-CABCVRRESA-N 309.410 -0.453 30 20 DBED C=CCN1CCN([C@@H]2CCN(C(=O)[C@@H]3CCC(=O)NC3)C2)CC1 1052048244 OSMSRPRHSAYWRV-HUUCEWRRSA-N 320.437 -0.083 30 20 DBED C#CCCN1CCN([C@H]2CCN(C(=O)c3cnon3)C2)CC1 1052099964 VRNSHTSJUXOVMH-ZDUSSCGKSA-N 303.366 -0.075 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)[C@H]3CCC(=O)NC3)CO2)C1 1053855315 KDQXBWSGEJXOIB-STQMWFEESA-N 305.378 -0.505 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)c3cn(C)ccc3=O)CO2)C1 1053867665 PHIFCMWWVOCZIR-CYBMUJFWSA-N 315.373 -0.018 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)[C@H]3CCN(C(=O)CC)C3)CO2)C1 1053976272 DKQXAHUKYOIWRK-UONOGXRCSA-N 319.405 -0.162 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)Cn3ccccc3=O)CO2)C1 1054003766 AHZKGHOVIPOFIX-GFCCVEGCSA-N 302.334 -0.669 30 20 DBED Cc1nc(C(=O)N2C[C@@H](NCC#N)[C@H](C)C2)nn1-c1nc[nH]n1 1054954664 QCMRGLFQEUMLRQ-PSASIEDQSA-N 315.341 -0.733 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@@H]2CN(C(=O)c3cn[nH]c3)C[C@@H]2C1 1055192600 AIVKSGRTLKVRQS-BNOWGMLFSA-N 316.361 -0.022 30 20 DBED C=CCCC(=O)N1C[C@H]2CN(C(=O)CCNC(N)=O)C[C@H]2C1 1055236359 FRJXWMSFDXTEGF-TXEJJXNPSA-N 308.382 -0.072 30 20 DBED N#Cc1cnc(N2CCN(C(=O)[C@H]3CCNC(=O)C3)CC2)cn1 1055752999 HQJOAULRGSYJKH-NSHDSACASA-N 314.349 -0.477 30 20 DBED C=C1CC(C)(C(=O)N2CCC[C@](CO)(NC(=O)CC(N)=O)C2)C1 1055845591 HKYQNRDQOCPSGB-INIZCTEOSA-N 323.393 -0.312 30 20 DBED C=CCOCC(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)CC(=O)NC 1056312272 ZJKSNPBPWKQOHU-OLZOCXBDSA-N 323.393 -0.083 30 20 DBED Cn1ncc(C(=O)N2CC[C@@H](Nc3ccc(C#N)nn3)C2)c1N 1056610013 BUQMJQUHQAKDHU-SNVBAGLBSA-N 312.337 -0.009 30 20 DBED C=CCn1cc(C(=O)NCCN(CCO)C(=O)[C@@H]2C[C@H]2C)nn1 1056862812 OLHNAOVKEPFNRF-VXGBXAGGSA-N 321.381 -0.329 30 20 DBED Cn1cnc(C(=O)N2CCCN(c3cnc(C#N)cn3)CC2)n1 1057132457 LURCMNGXNUSOCI-UHFFFAOYSA-N 312.337 -0.171 30 20 DBED Cc1nc(CC(=O)N(CCO)CCNC(=O)C#CC(C)C)n[nH]1 1057541053 NGNNGGRSYODLPX-UHFFFAOYSA-N 321.381 -0.748 30 20 DBED Cc1nccc(C(=O)N(CCO)CCNC(=O)C#CC2CC2)n1 1057653985 BVVMWPZVUJVTAP-UHFFFAOYSA-N 316.361 -0.251 30 20 DBED C=CCO[C@H](C)C(=O)N(CCO)CCNC(=O)[C@H]1CCCO1 1057921157 AZLHQSRZBPVPQR-CHWSQXEVSA-N 314.382 -0.306 30 20 DBED N#Cc1nccnc1N1CCC[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 1058239409 LTYSIIHGXCNFLT-AXFHLTTASA-N 314.349 -0.445 30 20 DBED N#Cc1nccnc1N1CC[C@@H](NC(=O)[C@@H]2COCCO2)C1 1058305225 SFPGKCBEIWNVIQ-PWSUYJOCSA-N 303.322 -0.541 30 20 DBED C[C@@]1(C(=O)N[C@H]2CCN(c3cncc(C#N)n3)C2)CCNC1=O 1058541872 VSDBVFJXIRIIKG-ZUZCIYMTSA-N 314.349 -0.431 30 20 DBED C=CCn1cc(C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N)nn1 1058659003 QETIDWKZUGRTLY-NSHDSACASA-N 320.353 -0.826 30 20 DBED NC(=O)CCCCC(=O)N(CCO)CCNC(=O)C#CC1CC1 1058833124 RMMMDBIVWNNHFR-UHFFFAOYSA-N 323.393 -0.617 30 20 DBED Cc1nnc(CC(=O)N[C@H]2C[C@H](N=c3cc[nH]c(C#N)n3)C2)o1 1059206202 ZGMZAWURAFVRMR-MGCOHNPYSA-N 313.321 -0.237 30 20 DBED C=CCCC(=O)NCC[C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 1060258716 LSSKMNGVYIVJTL-NWDGAFQWSA-N 308.382 -0.011 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](CCNC(=O)CS(C)(=O)=O)C1 1060288533 AVWUBRFAGUWIAH-QWRGUYRKSA-N 315.395 -0.455 30 20 DBED C#CCCCC(=O)NC[C@@H]1COCCN1C(=O)c1cnon1 1061538821 UBRDOZQYTNQQLD-LLVKDONJSA-N 306.322 -0.170 30 20 DBED CN(C(=O)c1cnn(C)n1)[C@H]1CCN(c2ccnc(C#N)n2)C1 1062953457 BQWMDIYEEHVETC-JTQLQIEISA-N 312.337 -0.172 30 20 DBED Cn1ncc(C(=O)N[C@@H]2[C@H]3C[C@H]2N(c2cnc(C#N)cn2)C3)c1N 1064245284 MTNSIUMXPWQWPL-RLCGTCKNSA-N 324.348 -0.329 30 20 DBED C=CCCO[C@H](C)C(=O)NC[C@@H]1CN(C(=O)COC)CCO1 1064752239 AENYZMLIRLTWRV-CHWSQXEVSA-N 314.382 -0.042 30 20 DBED CC(C)(C)C#CC(=O)N1CCO[C@H](CNC(=O)c2cnn[nH]2)C1 1065136961 JLKOGFPYJLBMBG-LLVKDONJSA-N 319.365 -0.189 30 20 DBED C=CCCC(=O)N1CC2(C[C@@H](NC(=O)[C@@H]3COC(=O)N3)CO2)C1 1068842099 GAHHMNIGWLSSJS-MNOVXSKESA-N 323.349 -0.453 30 20 DBED CN1C[C@@H](C(=O)NCc2cnn3c2CN(CC#N)CC3)CC1=O 1069862144 BOZSVHXDGNCCJK-NSHDSACASA-N 316.365 -0.683 30 20 DBED C=CCn1cc(C(=O)NC2(CNC(C)=O)CCOCC2)nn1 1070121091 UAQHSZWWBPXGBY-UHFFFAOYSA-N 307.354 -0.121 30 20 DBED N#CCN[C@@H]1CN(C(=O)c2ncccc2O)C[C@@H]1n1ccnn1 1070181175 ZTVPYOIZJFDHFO-MNOVXSKESA-N 313.321 -0.442 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CCCN(C(=O)[C@H]2COCCO2)C1 1070457957 IMUYGTXFYDJMSO-ZIAGYGMSSA-N 306.362 -0.078 30 20 DBED N#CCN1C[C@H]2C[C@H]3CN(C(=O)c4csnn4)C[C@@]3(C1)O2 1070830080 PATFVMPVZDVAIB-OPQQBVKSSA-N 305.363 -0.023 30 20 DBED C#CCN1CCN([C@@H]2CCCN(C(=O)[C@H](C)OC)C2)C(=O)C1 1071256934 MHTYVSNJZRJCMX-UONOGXRCSA-N 307.394 -0.210 30 20 DBED CC#CCN1CCC2(C1)CN(C(=O)CN1CCCNC1=O)C2 1072894709 DQCHFFMUAKKKFM-UHFFFAOYSA-N 304.394 -0.041 30 20 DBED C=C(C)CCN1CCO[C@H]2CCN(C(=O)Cn3ncnn3)C[C@@H]21 1074242531 ZFBFJGFCMUSQGJ-KBPBESRZSA-N 320.397 -0.059 30 20 DBED Cc1cc(C(=O)N2CCC(O)(CNC(=O)[C@H](C)C#N)CC2)n[nH]1 1074498261 YVPOMPWHZHDNBV-SNVBAGLBSA-N 319.365 -0.039 30 20 DBED C[C@@H](CCNC(=O)C1CC(=O)NC(=O)C1)NC(=O)[C@@H](C)C#N 1077383258 USBKJVQPESNGIR-IUCAKERBSA-N 308.338 -0.790 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CCCOC)C1 1081302664 MUWOXLNATINQBR-QWHCGFSZSA-N 314.382 -0.449 30 20 DBED O=C(Cn1ccnc1)NC[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1081580815 STIYPYJXCJAVBO-UONOGXRCSA-N 316.361 -0.768 30 20 DBED C=CCOCC(=O)NC[C@@H]1CCCCN1C(=O)[C@@H]1CCNC1=O 1082204253 GWECXEIYEKSXNX-QWHCGFSZSA-N 323.393 -0.178 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2cnn(-c3ccncc3)c2)C1 1083895752 DZWXNKVTZPTELR-KGLIPLIRSA-N 312.333 -0.434 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)C2CCN(C(N)=O)CC2)C1 1084041187 RBVNNKVEGJHMHP-OLZOCXBDSA-N 310.398 -0.486 30 20 DBED Cn1c(O)nc2cc(C(=O)N[C@@H]3CN(CC#N)C[C@@H]3O)ccc21 1084095143 VCDPZJPTSKGJCC-YPMHNXCESA-N 315.333 -0.423 30 20 DBED C#CCN1CC[C@@H]1CN(C)C(=O)C1CC2(C1)CS(=O)(=O)C2 1085670280 SVGQYIXXPVOBCL-CYBMUJFWSA-N 310.419 -0.023 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CCN(Cc3nc(=O)n(C)[nH]3)C[C@H]2C1 1087911323 QZYXWMQFIYJPAJ-UTUOFQBUSA-N 318.381 -0.452 30 20 DBED CNC(=O)NCC(=O)N[C@H](C)C[C@H](C)Nc1nccnc1C#N 1089500914 VJEXWFZTJXVLHU-ZJUUUORDSA-N 319.369 -0.028 30 20 DBED C#CCN1CC[C@H](NC(=O)c2nn3c(c2C)OCCC3)[C@@H](O)C1 1090312326 GNSHIZRIOQAJHE-STQMWFEESA-N 318.377 -0.228 30 20 DBED N#CCN1CC[C@H](NC(=O)c2ccnc3ccnn23)[C@H](O)C1 1090324080 UXTINXFKGBQFHL-CMPLNLGQSA-N 300.322 -0.582 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2ccn(CC(F)F)n2)[C@H](O)C1 1090345519 WWVRZXNYAGXWBU-ZYHUDNBSSA-N 312.320 -0.054 30 20 DBED N#Cc1nccnc1N1C[C@@H](O)[C@H](NC(=O)CC(F)(F)F)C1 1090378239 VGGZCSJKPPSROF-RKDXNWHRSA-N 315.255 -0.034 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2ccc(=O)n(C)c2)[C@@H](O)C1 1090390539 ICJFNCTZFYQJDZ-KGLIPLIRSA-N 303.362 -0.426 30 20 DBED CNC(=O)NCC(=O)N[C@H]1CCN(c2ccncc2C#N)[C@@H]1C 1092058191 WFGPLCVGLZGJNV-PWSUYJOCSA-N 316.365 -0.034 30 20 DBED COCC(=O)NC[C@]1(C)CN(c2ccnc(C#N)n2)CCO1 1092720022 ZTVJEBJZNRLWID-CQSZACIVSA-N 305.338 -0.294 30 20 DBED CCNC(=O)CCC(=O)N1CCN(c2cnc(C#N)cn2)CC1 1093139274 UTPRDMMGHNFHBT-UHFFFAOYSA-N 316.365 -0.087 30 20 DBED CN(C)C(=O)C1(C(=O)NCCN=c2cc[nH]cc2C#N)CC1 1093852588 RBOXWIPXHZWZCZ-UHFFFAOYSA-N 301.350 -0.228 30 20 DBED N#Cc1nc(=NCCNC(=O)c2cnc3[nH]c(O)nc3c2)cc[nH]1 1093965638 YOENRVKGINJWQL-UHFFFAOYSA-N 324.304 -0.411 30 20 DBED CN1CC[C@H](C(=O)NCCNc2ccc(C#N)nn2)CC1=O 1094239554 UIDLTXQZMKLGIO-JTQLQIEISA-N 302.338 -0.255 30 20 DBED Cn1nc(C(=O)NCCN=c2cc[nH]c(C#N)n2)cc1Cl 1094261901 VLBRVEONOQIHTP-UHFFFAOYSA-N 305.729 -0.001 30 20 DBED CN1C(=O)CC[C@@H]1C(=O)NCCCNc1cnc(C#N)cn1 1094732451 OELLUCYCHCXPFB-LLVKDONJSA-N 302.338 -0.113 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)c3onc(C)c3C)CC2=O)C1 1094749299 OOGCSIDGNXXVCA-LBPRGKRZSA-N 316.361 -0.060 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)[C@H]3CCC(=O)N3C)CC2=O)C1 1094778176 LBOCLXQFSPTZJK-DGCLKSJQSA-N 320.393 -0.806 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CCN(c2ccnc(C)n2)C1 1096359806 HBGSUEIOGCTHOU-LBPRGKRZSA-N 301.350 -0.381 30 20 DBED CCS(=O)(=O)CC(=O)N1CC[C@H](N=c2cc[nH]cc2C#N)C1 1096942950 NSZWNVGOSPYFRI-LBPRGKRZSA-N 322.390 -0.177 30 20 DBED N#Cc1cncc(N[C@H]2C[C@H](NC(=O)CCn3cnnn3)C2)n1 1097056007 YQXLRWGNBWRNLG-MGCOHNPYSA-N 313.325 -0.516 30 20 DBED C[C@@H](CNC(=O)[C@@]1(C)CCNC1=O)Nc1cnc(C#N)cn1 1098261827 SYMJBIDFOFNIDG-XPTSAGLGSA-N 302.338 -0.209 30 20 DBED C[C@H](CNC(=O)CN1CCOCC1=O)Nc1cnc(C#N)cn1 1098356561 RJOPEMDIIAHFMX-SNVBAGLBSA-N 318.337 -0.876 30 20 DBED CC#CCN(CCO)C1CCN(C(=O)C2(C(=O)NC)CC2)CC1 1098500292 SLBIZHBBZTTWFD-UHFFFAOYSA-N 321.421 -0.179 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](n2cc(CNCCCO)nn2)C1 1098634692 VYTGUGAOYGVPEE-DGCLKSJQSA-N 306.370 -0.317 30 20 DBED C#CCNCc1cn([C@H]2CCN(C(=O)c3cccnn3)C2)nn1 1098752389 XITIJJAFFKWEKJ-ZDUSSCGKSA-N 311.349 -0.122 30 20 DBED N#CCN[C@@H]1CN(C(=O)[C@@H]2CCNC2=O)C[C@H]1C(F)(F)F 1099288836 CBGXXVJLNWVBJJ-IWSPIJDZSA-N 304.272 -0.375 30 20 DBED Cc1nc(CN2CC[C@@H](NC(=O)CSCC#N)[C@@H](O)C2)n[nH]1 1099692952 JTOZDAXAAREVMA-MNOVXSKESA-N 324.410 -0.579 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(Cc2ncnn2CC)C[C@@H]1O 1099741281 QLJKJMUQUBCSAQ-STQMWFEESA-N 323.397 -0.448 30 20 DBED Cn1nncc1CN1CC[C@H](NC(=O)C#CC(C)(C)C)[C@@H](O)C1 1099828980 BRLCLSDZKJJTLJ-KBPBESRZSA-N 319.409 -0.084 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)C2(C3CC3)CC2)[C@H](O)C1 1099884661 ARCMZTYXOPYUAP-ZIAGYGMSSA-N 319.405 -0.523 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)Cc2cc(C)[nH]n2)C1 1100237950 IVVKAYFNGRVEPS-UHFFFAOYSA-N 317.393 -0.506 30 20 DBED C[C@@H](C(=O)NCCN(C)c1cncc(C#N)n1)S(C)(=O)=O 1100393894 ANVZHRYKYSGXMY-VIFPVBQESA-N 311.367 -0.666 30 20 DBED C=CCNC1CC(CNC(=O)CS(=O)(=O)CCOC)C1 1100451869 KOMXYPGTVARRSB-UHFFFAOYSA-N 304.412 -0.282 30 20 DBED CCN(CCNC(=O)Cn1ncnn1)c1ccc(C#N)nc1 1100625043 NXGRUFFGSNKTLP-UHFFFAOYSA-N 300.326 -0.418 30 20 DBED C#CCCNC1CC(CNC(=O)CN2CCC(=O)NC2=O)C1 1100836711 HILMZUNAYONCAU-UHFFFAOYSA-N 306.366 -0.564 30 20 DBED C#CCCNC1CC(CNC(=O)CN2CC(=O)N(C)C2=O)C1 1100865544 XAIQAPSGQUCQJT-UHFFFAOYSA-N 306.366 -0.612 30 20 DBED CN(CCNc1ccc(C#N)nn1)C(=O)CNC(=O)C1CC1 1101506077 NXUOFSLINXMJIV-UHFFFAOYSA-N 302.338 -0.255 30 20 DBED CC(=O)NCC(=O)N[C@H]1CCCCN(c2cnc(C#N)cn2)C1 1102837798 DDQLBYPMZKOXFG-LBPRGKRZSA-N 316.365 -0.041 30 20 DBED CNC(=O)NCC(=O)NC[C@H](C)CN=c1cc(C)[nH]cc1C#N 1104246241 NFFQPNLGELEBHC-SNVBAGLBSA-N 318.381 -0.223 30 20 DBED C#CCCNCc1cn(C2CN(C(=O)CC(C)(C)O)C2)nn1 1105223738 HJSLQMNTWSROPO-UHFFFAOYSA-N 305.382 -0.065 30 20 DBED C#CCNCc1cn(C2CN(C(=O)Cn3ccc(C)n3)C2)nn1 1105330049 MFMRBMCVSRVFCV-UHFFFAOYSA-N 313.365 -0.411 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)c2cnns2)C[C@H]1C 1105874245 ZTGMFYGVRFIMTP-GHMZBOCLSA-N 321.406 -0.415 30 20 DBED Cc1n[nH]c(C)c1C(=O)NC[C@@H](O)CNc1nccnc1C#N 1105932322 FTWLYSWZLDMDAC-JTQLQIEISA-N 315.337 -0.109 30 20 DBED N#Cc1cnc(NC[C@H](O)CNC(=O)[C@@]23COC[C@@H]2C3)cn1 1106145487 PYSOFMLGAUZHKT-CHIMOYNISA-N 303.322 -0.726 30 20 DBED C=CCCNC[C@@H]1CN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C[C@H]1C 1106708329 OPZUTRYEYWQCSO-UTUOFQBUSA-N 308.382 -0.155 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)CC[C@H]2NC(=O)NC2=O)C[C@H]1C 1106962337 GFMPTOPHAFCLCR-JHJVBQTASA-N 320.393 -0.318 30 20 DBED C=CCN1CC(n2cc(CNC(=O)CCNC(=O)NC)nn2)C1 1107167223 LQXFUHPCTDJMOB-UHFFFAOYSA-N 321.385 -0.744 30 20 DBED C#CCOCCC(=O)NC/C=C/CNc1nccn2nnnc12 1107345896 JYWPAWDHWXNKSY-ONEGZZNKSA-N 315.337 -0.357 30 20 DBED Cc1cc(C#N)nc(NC/C=C\CNC(=O)[C@@H]2CNC(=O)N2)n1 1107492050 GCWVYIUWOGNDNW-QUCGXOGASA-N 315.337 -0.578 30 20 DBED C[C@H](CNc1nccnc1C#N)NC(=O)c1cn(C)c(=O)cn1 1108217088 MMPHASBAPWRQNG-SECBINFHSA-N 313.321 -0.328 30 20 DBED C#CCOCCC(=O)N[C@H]1CC(=O)N(C2CN(CC=C)C2)C1 1108545885 IJKFIODHEPCLKC-ZDUSSCGKSA-N 305.378 -0.386 30 20 DBED C#CCCN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN1CC(=O)NC1=O)C2 1108779873 XDJZJTMBJFMKHK-AVGNSLFASA-N 318.377 -0.469 30 20 DBED C[C@H](CN(C)c1nccnc1C#N)NC(=O)[C@@H]1CCC(=O)N1 1109027136 GWZJBXCBVHOXJP-ZJUUUORDSA-N 302.338 -0.432 30 20 DBED CN(CCCNc1cnc(C#N)cn1)C(=O)[C@H]1COCCN1C 1109410330 XKDRVBKLAKHGRQ-CYBMUJFWSA-N 318.381 -0.061 30 20 DBED CN(CCCNc1cnc(C#N)cn1)C(=O)Cn1cnnc1O 1109416948 GDNMLMPDESXOMJ-UHFFFAOYSA-N 316.325 -0.394 30 20 DBED CN(CCCNc1ccc(C#N)nn1)C(=O)[C@@H]1CCNC1=O 1109579017 YWXMBZGNOZVCQW-LLVKDONJSA-N 302.338 -0.255 30 20 DBED C#CCNC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCOC 1110232434 LZXKIGXRQYJEOP-DGAVXFQQSA-N 307.394 -0.118 30 20 DBED C#CCOCCC(=O)NC[C@]1(O)CCN(c2cc(F)ncn2)C1 1111098724 VBOFKPSJEGBZSX-OAHLLOKOSA-N 322.340 -0.287 30 20 DBED CCNC(=O)NC(=O)CN1CCN(C(=O)C#CC2CC2)CC1 1112825007 PJGSYOQQDRZFNJ-UHFFFAOYSA-N 306.366 -0.610 30 20 DBED C#CCO[C@H](C)C(=O)N1CCN(Cc2ncnn2CCF)CC1 1112844804 HRYBYCYGYXWQPG-CYBMUJFWSA-N 323.372 -0.070 30 20 DBED C[C@@H](N=c1cc[nH]cc1C#N)[C@@H](C)NC(=O)c1nnn(C)n1 1113258211 BNRYSTQANRDHOK-RKDXNWHRSA-N 300.326 -0.482 30 20 DBED C=CCn1cc(C(=O)N2CCN(CC(=O)NCCC)CC2)nn1 1113413306 RXEXXLHZEHWHHV-UHFFFAOYSA-N 320.397 -0.252 30 20 DBED COCC#CCN1CCN(C(=O)COCc2ncnn2C)CC1 1113486373 VJDXWYKGGVZBCZ-UHFFFAOYSA-N 321.381 -0.874 30 20 DBED C[C@@H](CC(=O)NC[C@H](C)N(C)c1ccnc(C#N)n1)NC(N)=O 1113720509 RNKPHUMOTLYBMB-UWVGGRQHSA-N 319.369 -0.264 30 20 DBED C[C@@H](CNC(=O)[C@]1(C)CCNC1=O)N(C)c1ccc(C#N)nn1 1113872137 JEAWGAORGFVFHY-ZUZCIYMTSA-N 316.365 -0.185 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)CC[C@@H](C)OC)[C@H]2C1 1114161886 NQIRTGVIPFNUEG-FOCJUVANSA-N 307.394 -0.403 30 20 DBED C#CCC(C)(C)C(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 1116639516 ZSAVVHULQHGRJK-NSHDSACASA-N 314.407 -0.155 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@H]([C@@H]2CCCN2CCO)C1 1120372978 KTUMJTOABIAQLF-GJZGRUSLSA-N 321.421 -0.179 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H](CO)CNC(=O)C[C@H]1CCCO1 1121099676 KWPNCMKGACNEQI-CHWSQXEVSA-N 304.350 -0.167 30 20 DBED C#CCCCC(=O)NC[C@H](CO)Nc1nc(C)nc(N(C)C)n1 1121372033 SREVDHRIRSZLBV-GFCCVEGCSA-N 320.397 -0.061 30 20 DBED Cc1cc(C(=O)NC[C@H](CO)N=c2cc[nH]c(C#N)n2)ns1 1121406416 VHFXEFVMSKYSOA-SECBINFHSA-N 318.362 -0.262 30 20 DBED Cc1cc(=N[C@H](CO)CNC(=O)[C@]2(C)CCOC2)c(C#N)c[nH]1 1121914326 MAKFLLAXWOEBLR-XJKSGUPXSA-N 318.377 -0.001 30 20 DBED N#Cc1cncc(N[C@H](CO)CNC(=O)CC2=CCOCC2)n1 1122480329 IZIGXKAJJHMCAU-ZDUSSCGKSA-N 317.349 -0.026 30 20 DBED CNC(=O)CC(=O)N(C)C[C@H](O)CN=c1cc(C)[nH]cc1C#N 1124256429 KHBZNHZZESIZLM-GFCCVEGCSA-N 319.365 -0.949 30 20 DBED C[C@@H](CC(N)=O)C(=O)N(C)C[C@@H](O)CNc1ccc(C#N)nc1 1124689782 ZAMVGKZEGUIJIA-GWCFXTLKSA-N 319.365 -0.304 30 20 DBED C#CCCCCC(=O)NCCNCC(=O)NC(=O)NC1CC1 1125934915 KRJVACPSQNMGFP-UHFFFAOYSA-N 308.382 -0.126 30 20 DBED C#CCOCCC(=O)NCCNCC(=O)N1CCC[C@H](C)C1 1127032529 ZBFNLMFQAIZKHH-AWEZNQCLSA-N 309.410 -0.009 30 20 DBED COCC#CCNCCNC(=O)c1ccc2c(c1)OCC(=O)N2 1129517090 CUNYMZFSDZGLLE-UHFFFAOYSA-N 317.345 -0.013 30 20 DBED CC(C)C#CC(=O)N1C[C@@H]2C[C@@H]3CN([C@@H](C)C(N)=O)C[C@]2(C1)O3 1131230350 JBWSHNBIMTWGTI-SZOQZIPDSA-N 319.405 -0.179 30 20 DBED CC#CCN1CCNC(=O)CCN(C(=O)CNC(=O)CC)CC1 1131339815 RHYQTNQXHZKUBD-UHFFFAOYSA-N 322.409 -0.814 30 20 DBED N#CCN1CCNC(=O)CCN(C(=O)CCCCC(N)=O)CC1 1131390105 AURKKHFOLZKNPP-UHFFFAOYSA-N 323.397 -0.794 30 20 DBED CN1C[C@H](C(=O)NCCNCc2ccc(C#N)cc2F)NC1=O 1132387262 QOSFXQTXLZXVIX-CYBMUJFWSA-N 319.340 -0.073 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NCCN[C@@H]1CCN(CC)C1=O 1134816475 DLNUSLSIEVVZFS-KGLIPLIRSA-N 324.425 -0.216 30 20 DBED CC#CCN[C@H](C)C[C@@H](C)NC(=O)Cn1ccc(O)nc1=O 1134897222 BOHJLXAMUCDZLY-VXGBXAGGSA-N 306.366 -0.155 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)C1CCN(C)CC1 1135377574 ATNICQYFTQVFLT-ZIAGYGMSSA-N 322.453 -0.050 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1ccnc(NC(C)=O)c1 1135570403 GKJUADKVLCCTDC-UHFFFAOYSA-N 317.349 -0.891 30 20 DBED C#CCNC(=O)CN1CCCO[C@@H](CNC(=O)CCC=C)C1 1149341454 NLJUYDOYKBHLRY-AWEZNQCLSA-N 307.394 -0.091 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CN(CC(=O)NCC2CC2)CCCO1 1149399851 UYQWPEYQSVWBIA-TZMCWYRMSA-N 322.409 -0.121 30 20 DBED C=CCOCCN1CCCO[C@@H](CNC(=O)Cn2nccn2)C1 1149797079 RDHPBOZVMBEGMD-AWEZNQCLSA-N 323.397 -0.312 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)c1cnc(C)cn1 1151663458 KXMNCLLVFZSEKG-CYBMUJFWSA-N 317.393 -0.025 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)CN(C)C(C)C 1152440077 XGHNHTMIWNLFEG-UHFFFAOYSA-N 311.430 -0.205 30 20 DBED N#CCNC(=O)CNCCCNC(=O)c1cnn2ncccc12 1160047741 COIATKMLWNDSFD-UHFFFAOYSA-N 315.337 -0.921 30 20 DBED C=CCN1CC=C(CCNC(=O)CS(=O)(=O)NC)CC1 1161894162 YVBSNGGUDKGZJW-UHFFFAOYSA-N 301.412 -0.140 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)Cn1nc(C)cc1C 1162134466 OEPMPSUJPYHGRC-CQSZACIVSA-N 319.409 -0.266 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)c1cccc(=O)n1C 1166354713 FKSIJFSRVQBUHH-GFCCVEGCSA-N 320.393 -0.215 30 20 DBED C=CCCn1cc(C(=O)NCCCN[C@@H](C)C(=O)NC)nn1 1167990836 DLMQOGXWWDVYSV-NSHDSACASA-N 308.386 -0.302 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)c1cn(C(C)C)nn1 1169559562 NMIHLVXPMIDYOK-LBPRGKRZSA-N 320.397 -0.294 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)c1ncccc1OC 1174594854 WKKVEOXDHUUMLP-LBPRGKRZSA-N 318.377 -0.062 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@H](CC)N1CCCC1=O 1176478171 QDEACZITJDRNTI-ZDUSSCGKSA-N 322.409 -0.767 30 20 DBED CCCC(=O)NCC(=O)N1CC[C@@H]2OCCN(CC#N)[C@@H]2C1 1176943369 JIJJDEWRFLZLLR-OLZOCXBDSA-N 308.382 -0.272 30 20 DBED COCC#CCNC[C@]1(C)CN(C(=O)Cn2ncnn2)C[C@H]1C 1181533292 QJSPFKCJOZMOOE-UKRRQHHQSA-N 320.397 -0.603 30 20 DBED C=CCOCC(=O)N1CC[C@@H](NCC(=O)NC(=O)NCC)C1 1181643929 DTXCPUMOYIOPBY-LLVKDONJSA-N 312.370 -0.775 30 20 DBED CCc1ocnc1C(=O)N1CC[C@@H](NCC(=O)NCC#N)C1 1181779601 NGJGDOWGLRWTNM-SNVBAGLBSA-N 305.338 -0.319 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)C[C@@H]2CCN(C)C2=O)C1 1183496662 PLPFAGAVBYIJOD-UONOGXRCSA-N 307.394 -0.305 30 20 DBED Cc1cc(C(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)ccn1 1186479660 NQGRHUXCUHMWLP-CYBMUJFWSA-N 301.350 -0.166 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)COCCC)[C@@H]2C1 1187143420 PRKJQYMWYWYOKE-UONOGXRCSA-N 307.394 -0.305 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)CCc2nc[nH]n2)C1 1189575475 UUDUROQNSYMROB-GFCCVEGCSA-N 320.397 -0.428 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C)O2)C1 1192445248 KZSFRJLIVZPQOX-MGPQQGTHSA-N 307.394 -0.164 30 20 DBED C#CCCN(C)[C@@H]1CCN(C(=O)C2CC3(C2)NC(=O)NC3=O)C1 1192794592 MAONYCAJWZENRF-BWBHSNQOSA-N 318.377 -0.469 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CN(C[C@H](O)CC(F)(F)F)C[C@H]1O 1192822048 SIVWWDPIMYFAKQ-IJLUTSLNSA-N 320.311 -0.126 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@H]1CCN(C(=O)c2ccn(C)n2)C1 1194026695 IWSCSZWNJOZZSJ-OLZOCXBDSA-N 317.393 -0.296 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2cncn2C)C[C@H]1O 1199315265 WQNGEEGDJANTIX-MRVWCRGKSA-N 308.382 -0.328 30 20 DBED C#CCNC(=O)[C@H](C)NC1CCN(C(=O)[C@H]2CCCN2C)CC1 1199787723 CUUTUENHFKGQLP-DZGCQCFKSA-N 320.437 -0.201 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC(N[C@@H]2CCC(=O)NC2=O)CC1 1200532756 XSCBRJHNECDQRS-DGCLKSJQSA-N 321.377 -0.590 30 20 DBED C=CCCNC[C@@H]1CN(C(=O)C[C@@H]2NC(=O)NC2=O)CCCO1 1200713877 QCAQRDQQUAMXFH-NEPJUHHUSA-N 324.381 -0.632 30 20 DBED N#CCNC(=O)CN[C@H]1C[C@@H](NC(=O)C(F)F)C12CCC2 1202289947 KCFQCSQBLJLTLH-DTWKUNHWSA-N 300.309 -0.092 30 20 DBED C#CCCN[C@@H]1C[C@H](NC(=O)CN2CCNC(=O)C2)C12CCC2 1203256898 KCJOPLJJKZCLJK-KGLIPLIRSA-N 318.421 -0.542 30 20 DBED C#CCNC(=O)[C@@H](C)NCC1CCN(C(=O)c2ncc[nH]2)CC1 1205204221 ZHWHLQQKDKZRHP-GFCCVEGCSA-N 317.393 -0.011 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC(CN[C@@H](C)C(=O)NC)CC1 1205264905 JXQKXWGPUNDGCP-STQMWFEESA-N 309.410 -0.013 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)[C@@H](OCC)C2CC2)[C@H](C)C1 1206983651 VOVYYULHUPLKJY-XPKDYRNWSA-N 321.421 -0.013 30 20 DBED COCC#CCN1C[C@@H](NC(=O)c2cnnc(O)c2)[C@H](C)C1 1207652830 NZLQVHWQVBUIPP-DGCLKSJQSA-N 304.350 -0.118 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)C[C@](C)(O)C2CC2)C1 1207820043 OJNZGNVOGAYBJS-YOEHRIQHSA-N 321.421 -0.133 30 20 DBED CN1CCCC[C@H]1C(=O)N1CCC[C@@H](NCC(=O)NCC#N)C1 1208424414 YLTMCOBRALQUQS-KGLIPLIRSA-N 321.425 -0.309 30 20 DBED COCC#CCN1C[C@@H](NC(=O)[C@H]2CCN(C(C)=O)C2)[C@H](C)C1 1210651700 GBIRTMWAJLOXIA-VNQPRFMTSA-N 321.421 -0.059 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)c2nnn(C)c2C)C[C@H]1C 1214384823 VWLCMDDCNMNJFH-DGCLKSJQSA-N 305.382 -0.177 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CCCCO2)C[C@H]1C 1214441585 NOZDLVMRGVRPCM-MCIONIFRSA-N 307.394 -0.259 30 20 DBED C[C@@H]1CN(C(=O)Cc2cccnc2)C[C@H]1NCC(=O)NCC#N 1214443996 NRZBEPUHMXYZKW-TZMCWYRMSA-N 315.377 -0.300 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)C2(C)CCOCC2)C[C@H]1C 1215940103 NOTFWRNFWWMQAE-ZIAGYGMSSA-N 321.421 -0.011 30 20 DBED CC#CCN[C@@H]1CN(C(=O)[C@@H]2COCCN2C(C)=O)C[C@H]1C 1216795582 RKINYQOGNIXDMZ-YUELXQCFSA-N 307.394 -0.307 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C2(C3CC3)CCC2)C1 1220073644 GOVZJFFTVYBFFJ-KGLIPLIRSA-N 319.405 -0.523 30 20 DBED C=C1CCC(C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@@H]2O)CC1 1220288347 RGHTVMTVBBCCDE-KGLIPLIRSA-N 320.393 -0.466 30 20 DBED C=C[C@](C)(CC)C(=O)N[C@@H]1CN(Cc2nc(O)n[nH]2)C[C@@H]1O 1220293661 PQTKUEGYQHJGPC-ISTVAULSSA-N 309.370 -0.226 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)CS(=O)(=O)CC)C1 1221085672 PYPCXRLHSJOTOA-ZJUUUORDSA-N 310.803 -0.665 30 20 DBED CNC(=O)NC(=O)[C@@H](C)N1CCC(CNC(=O)[C@H](C)C#N)CC1 1222664512 VTHXARZPDYMXPB-GHMZBOCLSA-N 323.397 -0.182 30 20 DBED C#CCCN1CCC(CNC(=O)Cn2ncn(C)c2=O)CC1 1223687965 ZGNBZYRCZCYGIR-UHFFFAOYSA-N 305.382 -0.567 30 20 DBED C#CCCN1CCC(CNC(=O)CS(=O)(=O)N(C)C)CC1 1225304681 LSIBGBOKOMGRHX-UHFFFAOYSA-N 315.439 -0.271 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)c2cnc(C)[nH]2)CC1 1226547975 AGOFOTGPHMYCCX-UHFFFAOYSA-N 303.366 -0.338 30 20 DBED N#CCN[C@@H]1CCCC[C@H]1NC(=O)CCc1nnc(O)nc1O 1227269432 SYFSXMHVPGUYFA-NXEZZACHSA-N 320.353 -0.244 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NC1CCN([C@@H](C)C(N)=O)CC1 1229486464 SPNZBOKWVAYXLC-FZMZJTMJSA-N 324.425 -0.088 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC(NC(=O)c2cnon2)CC1 1229671033 UYLFUUVYDVBYJB-SNVBAGLBSA-N 305.338 -0.598 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)c2ccncn2)CC1 1229685638 FUESMVPUALVMEJ-UHFFFAOYSA-N 303.366 -0.027 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)Cn1cncn1 1230071666 BTBWLKSOOLLYDM-CHWSQXEVSA-N 318.381 -0.956 30 20 DBED CCN1CCO[C@@H](C(=O)NC2CCN(CC#CCOC)CC2)C1 1230306920 IQFTUZSUSVISEU-MRXNPFEDSA-N 323.437 -0.063 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)COCC1CC1 1230865485 DBKRWQZSSTXERR-AWEZNQCLSA-N 307.394 -0.305 30 20 DBED C[C@H](OCC1CC1)C(=O)N(C)C[C@H]1CCN1CC(=O)NCC#N 1231084822 GNKSOJYJGDKOCU-GXTWGEPZSA-N 322.409 -0.026 30 20 DBED CN(C[C@@H]1CCN1CC(=O)NCC#N)C(=O)c1cc(C#N)c[nH]1 1231407527 LCOCFRMFPMOWIJ-LBPRGKRZSA-N 314.349 -0.328 30 20 DBED C=CCOCC(=O)NCCCN(C)CCNS(=O)(=O)CC 1235684548 ZRFUWPSELIUGKY-UHFFFAOYSA-N 321.443 -0.434 30 20 DBED C#CCC[C@@H](O)CNC(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 1256503677 DANNAALABHVNFB-VXGBXAGGSA-N 317.411 -0.659 30 20 DBED CN1CC[C@@H](NC(=O)C(=O)NCc2ccc(C#N)cc2)C1=O 1322784513 ITOHOBYENZLWRU-GFCCVEGCSA-N 300.318 -0.479 30 20 DBED N#C[C@H]1CC[C@@H](NC(=O)C(=O)N(CCO)C2CCOCC2)C1 1325991783 MFCLTKOQKCNMIA-NWDGAFQWSA-N 309.366 -0.205 30 20 DBED COC(=O)c1cnn(C)c1NC(=O)C(=O)N(C)[C@H](C)CC#N 1326283432 NFVREHVHQULOGP-MRVPVSSYSA-N 307.310 -0.094 30 20 DBED CC#CC[C@H](CO)NC(=O)c1nnn(Cc2noc(C)n2)c1C 1326379686 AYMNBTPXIVQRRZ-LLVKDONJSA-N 318.337 -0.170 30 20 DBED C[C@@H]1[C@H](CO)CCCN1C(=O)C(=O)N1CC[C@](O)(CC#N)C1 1326545591 RGLLBHAGELGAKD-TYNCELHUSA-N 309.366 -0.517 30 20 DBED C=CCOCCNC(=O)C(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1 1327782592 JOQYLOFIOSYVRB-NSHDSACASA-N 311.382 -0.179 30 20 DBED C[C@]1(CNC(=O)C(=O)N2CCC[C@@H](CC#N)C2)CCC(=O)N1 1328133176 QOHHOYQTUSRUQP-XHDPSFHLSA-N 306.366 -0.076 30 20 DBED O=C(Cc1cncc(O)c1)NCCN/C(O)=C1/N=CC=CC1=O 1328161135 SHNUOZPQRQPLRI-PFONDFGASA-N 316.317 -0.028 30 20 DBED C#CCNC(=O)C1CCN(C(=O)c2cnc(C)nc2N)CC1 1328308312 GXOCDIWCOXRWIO-UHFFFAOYSA-N 301.350 -0.031 30 20 DBED CCCS(=O)(=O)NC1CCN(C(=O)C#CCOC)CC1 1328643090 RPAORVBXZAQPOQ-UHFFFAOYSA-N 302.396 -0.043 30 20 DBED C=CCN(C(=O)C(=O)N1CCS(=O)(=O)CC1)[C@H](C)COC 1330463137 LGURSHPGBJSJPS-LLVKDONJSA-N 318.395 -0.707 30 20 DBED CC#CC[C@@H](CO)NC(=O)C(=O)Nc1c(C)ccn(C)c1=O 1332179638 PQYYNQLOAAUZKE-NSHDSACASA-N 305.334 -0.477 30 20 DBED CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CC[C@](O)(CC#N)C1 1332355557 HGWUPNSZKOEHOV-IUODEOHRSA-N 309.366 -0.109 30 20 DBED C=CCC1(O)CCN(C(=O)C(=O)N2[C@H]3CC[C@H]2CNC3)CC1 1332375026 DBQLPYJOXVBYQX-STQMWFEESA-N 307.394 -0.121 30 20 DBED C#CCCCn1nnnc1N1CCC([C@@H](O)C(=O)OC)CC1 1334116855 OSKLQRRCBUMOAF-GFCCVEGCSA-N 307.354 -0.163 30 20 DBED C[C@H]1CCOCCN1C(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1338092484 UESJMJZOHARUAU-GXTWGEPZSA-N 320.393 -0.177 30 20 DBED CN1[C@H]2CC[C@H]1CN(C(=O)C(=O)N1CC[C@](O)(CC#N)C1)CC2 1345974168 WDQGERBJPDLQFK-HEHGZKQESA-N 320.393 -0.441 30 20 DBED C#CCNC(=O)CN1CCCN(c2cc(C)nc(CO)n2)CC1 1346044766 RJTODLPRNDXNOK-UHFFFAOYSA-N 317.393 -0.461 30 20 DBED N#Cc1ncn(CCNC(=O)C(=O)Nc2ccc(Cl)cn2)n1 1346611373 YJGLZUCUHDSZLX-UHFFFAOYSA-N 319.712 -0.047 30 20 DBED C=CCn1cc(CNC(=O)N[C@H](C)[C@H]2CN(C)CCN2C)nn1 1348833330 ZFBLUMFEZFODMQ-TZMCWYRMSA-N 321.429 -0.102 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)c2cccs2)CC1 1352260786 IONIMUGYGJHILM-UHFFFAOYSA-N 313.404 -0.027 30 20 DBED N#CC1(CNC(=O)Cn2nc3n(c2=O)CCCC3)CCOCC1 1363069175 BZQDUTIAHQJSPN-UHFFFAOYSA-N 319.365 -0.182 30 20 DBED N#Cc1cc(C(=O)N2CC(NC(=O)CO[C@@H]3CCOC3)C2)c[nH]1 1374644161 MUQFAIPXRYMPRV-CYBMUJFWSA-N 318.333 -0.368 30 20 DBED CC(C)N(C)C(=O)[C@H](C)N1CC(O)(CNC(=O)[C@@H](C)C#N)C1 1376142540 MWMRXJMBAIUMKZ-RYUDHWBXSA-N 310.398 -0.436 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)c2cn(C)c(=O)nc2O)C1 1386181575 CTMWQZHLCFMSKI-IWSPIJDZSA-N 319.321 -0.977 30 20 DBED C[C@@H](CN[C@H](C)c1nnnn1C)NC(=O)c1cc(C#N)c[nH]1 1392552230 QGGULDGXWZPMCP-DTWKUNHWSA-N 302.342 -0.121 30 20 DBED Cc1nnc(COCC(=O)N2CC(NC(=O)[C@H](C)C#N)C2)s1 1398676127 OURXBCLZVUZETR-MRVPVSSYSA-N 323.378 -0.150 30 20 DBED C[C@H](N[C@H]1CC[C@H](NC(=O)[C@H](C)C#N)CC1)C(=O)NC(N)=O 1401055644 MDYSCIRLCRSBOB-LMLFDSFASA-N 309.370 -0.254 30 20 DBED CCN(CCC#N)C(=O)CNC[C@H](C)NC(=O)c1cc[nH]n1 1406460650 HZJHWHSEZGRSRB-NSHDSACASA-N 306.370 -0.120 30 20 DBED CC1(C)CCC[C@]1(O)CNC(=O)Cn1cc(C#N)c(O)nc1=O 1412172964 SAFNDVOXGMUGOQ-HNNXBMFYSA-N 320.349 -0.122 30 20 DBED CC[C@H](NC(=O)CCn1cc(C#N)c(O)nc1=O)C(C)(C)O 1413024567 FLLGOEOPEGUUKU-JTQLQIEISA-N 308.338 -0.124 30 20 DBED COC[C@@H](OC)C(=O)NCC1(NC(=O)c2c[nH]c(C#N)c2)CC1 1417200409 LEMOZMCXXFCTIL-GFCCVEGCSA-N 320.349 -0.074 30 20 DBED CCN(CCC#N)C(=O)CN1CC(NC(=O)C2=CCOCC2)C1 1421026494 BRUIZYGIRTXFFM-UHFFFAOYSA-N 320.393 -0.104 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H]1CNC(=O)CN1CCCNC1=O 1449627722 YLQAKMCAHPPENI-RYUDHWBXSA-N 321.381 -0.331 30 20 DBED CNC(=O)NCC(=O)NC[C@H](C)CNC(=O)c1cc(C#N)c[nH]1 1451546058 UJYHJIXNRGTROH-VIFPVBQESA-N 320.353 -0.703 30 20 DBED N#Cc1ccc(S(=O)(=O)N2CC(O)(C(=O)O)C2)c(F)c1 1571070175 WMMLZBHNDYWPAK-UHFFFAOYSA-N 300.267 -0.483 30 20 DBED C[C@@H](C(=O)NCc1cnn[nH]1)N(C)CCNC(=O)[C@H](C)C#N 1575179097 SLZUPKBOVJAKSY-ZJUUUORDSA-N 307.358 -0.983 30 20 DBED COC(=O)[C@H]1CCN(c2cnc(C#N)c(-c3nn[nH]n3)n2)[C@@H]1C 1579442305 DOYMQXHNCINBCO-SFYZADRCSA-N 314.309 -0.084 30 20 DBED Cn1cc(-c2nn[nH]n2)c(NC(=O)N2CCO[C@@](C)(C#N)C2)n1 1581754158 ISAOSZKGPFDYOH-LBPRGKRZSA-N 317.313 -0.253 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CCN(c2nccnc2-c2nn[nH]n2)C1 1581912801 ZICLLFXHWOHEQG-LLVKDONJSA-N 324.348 -0.235 30 20 DBED C#CC[C@H](NC(=O)Cn1c(=O)nc(O)c2ccccc21)C(=O)O 1588407547 JSWCGGUYVPZLIH-JTQLQIEISA-N 315.285 -0.305 30 20 DBED C=CCN([C@H]1CCS(=O)(=O)C1)[C@@H]1CCN(CC(=O)O)C1=O 1588463209 CUDULYUYKQITLF-WDEREUQCSA-N 316.379 -0.653 30 20 DBED C[C@H](C(=O)O)N(C1CCC1)S(=O)(=O)N1CCO[C@@H](C#N)C1 1589478971 MHYWDMIQHUBAHR-KOLCDFICSA-N 317.367 -0.217 30 20 DBED C[C@@H](CCN(C)C)C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[nH]1 1589820257 GLBWNJKXXDAACN-ZETCQYMHSA-N 303.330 -0.012 30 20 DBED N#Cc1nc(N2CCc3ncncc3C2)cnc1-c1nn[nH]n1 1592706355 UBYJUEZWHFACAW-UHFFFAOYSA-N 306.293 -0.119 30 20 DBED Cn1cc(C#N)c(NC(=O)NCCOCCOCC(=O)O)n1 1594526145 WJVDXCFWUFHZCV-UHFFFAOYSA-N 311.298 -0.469 30 20 DBED Cn1cc(C#N)c(NC(=O)N[C@@H](C(=O)O)c2ccnn2C)n1 1594526292 ZRIHIDOVGPHSKS-SECBINFHSA-N 303.282 -0.027 30 20 DBED N#CC1(C(=O)O)CCN(C(=O)CN2CCC(=O)NC2=O)CC1 1601051613 SCLGFCGNJNHUJK-UHFFFAOYSA-N 308.294 -0.855 30 20 DBED N#CCC1(CNC(=O)C(=O)N2C[C@@H](C(=O)O)C[C@@H](O)C2)CC1 1601062319 NIKRWHINJWCIBI-VHSXEESVSA-N 309.322 -0.910 30 20 DBED CN(CCCc1[nH]nc(N)c1C#N)[C@@H]1CCN(CC(=O)O)C1=O 1604175167 UXTINSSUNHTAIL-LLVKDONJSA-N 320.353 -0.587 30 20 DBED CC(C)(C#N)CCN1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 1645658717 BSZSXHYVEXAKMJ-CHWSQXEVSA-N 315.439 -0.298 30 20 DBED C#CCNC(=O)CNCC[C@H]1CCN(C(=O)C[C@H]2CCOC2)C1 1672859182 QUHTZOVXNOWOLH-LSDHHAIUSA-N 321.421 -0.009 30 20 DBED COCC#CCN[C@@H](C)CNC(=O)[C@H](OC)c1cnn(C)c1 1752890451 OECPWJMJFSKZLM-GXTWGEPZSA-N 308.382 -0.148 30 20 DBED C#Cc1ccc(C(=O)NC[C@H](C)NCC(=O)NC(=O)NC)nc1 1752912422 CCUFFACCXLWXNQ-JTQLQIEISA-N 317.349 -0.774 30 20 DBED CC#CCN1CC[C@@H](CNC(=O)CS(=O)(=O)N(C)C)C1 1753138401 LGVUMUJRDPOIET-LBPRGKRZSA-N 301.412 -0.661 30 20 DBED COCC#CCNCCN(C)C(=O)[C@@H](C)CN1CCOCC1 1753262106 SADLREFTPFEYRQ-HNNXBMFYSA-N 311.426 -0.348 30 20 DBED COCC#CCN(C)C[C@H]1CCN(C(=O)[C@H]2CN(C)C(=O)N2)C1 1753352186 KDYKEECWJDMRTH-ZIAGYGMSSA-N 322.409 -0.560 30 20 DBED COCC#CCN(C)CC1CCN(C(=O)CCNC(N)=O)CC1 1753367735 XECLJYKTATXNFF-UHFFFAOYSA-N 324.425 -0.135 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H](O)CNCc1cc(C)ncn1 1753911920 XOZOOEOOXDGSCP-TZMCWYRMSA-N 306.366 -0.610 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(Cc2cnc(C)cn2)C1 1754767199 LUHZIGJSSJVJJE-CYBMUJFWSA-N 318.377 -0.514 30 20 DBED CC#CCN1CC(O)(CNC(=O)Cc2ccc(OC)cn2)C1 1754772724 PMCLVKGGCQXJOS-UHFFFAOYSA-N 303.362 -0.181 30 20 DBED C=CCNC(=O)[C@@H](C)N(C)CCCN(C)C(=O)c1nc[nH]n1 1755044630 RLFZEJNWTQCENG-LLVKDONJSA-N 308.386 -0.111 30 20 DBED CNC(=O)NC(=O)CN[C@@H]1CN(C(=O)C#CC(C)C)C[C@@H]1C 1755108312 DCVYDAPKMZEACG-NWDGAFQWSA-N 308.382 -0.462 30 20 DBED C#CCNC(=O)CNCC1CC(NC(=O)c2nccs2)C1 1755219038 APNWAWZRNKRFLG-UHFFFAOYSA-N 306.391 -0.010 30 20 DBED C=CCNC(=O)CN1CC([C@@H](C)NC(=O)c2cnn(C)n2)C1 1755388146 XZGNODIAAXMOET-SNVBAGLBSA-N 306.370 -0.833 30 20 DBED C=CCNC(=O)CN[C@@H](CO)CNC(=O)c1ccnc(F)c1 1755622589 KOSQKTRYPCFRBL-LLVKDONJSA-N 310.329 -0.797 30 20 DBED C=CCN[C@@H](CO)CNC(=O)c1cc(-c2ccn(C)n2)on1 1755629968 ZBNUMFNUMAHDNJ-SNVBAGLBSA-N 305.338 -0.059 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](CO)NCc1cnc(C)nc1 1755639349 OFRVMENRBNHQFC-KFWWJZLASA-N 320.393 -0.057 30 20 DBED CC(C)C#CC(=O)N1CCC(N(C)C(=O)c2nnn(C)n2)CC1 1756360840 VCXGUGVOFSJCIC-UHFFFAOYSA-N 318.381 -0.068 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@H](CO)NC(=O)c1cccnc1C 1756515976 SHFYZCOGEBOJCU-MLGOLLRUSA-N 321.377 -0.076 30 20 DBED C#CCCCC(=O)N[C@@H](CO)CNC(=O)c1[nH]cnc1CC 1756542768 MTBFSHCLSFMWKT-LLVKDONJSA-N 306.366 -0.018 30 20 DBED C=C[C@@](C)(O)CC(=O)NC1CC(N(C)C(=O)c2nnn(C)n2)C1 1756746571 LXFXAGMANWZIPU-RPFQZYLTSA-N 322.369 -0.744 30 20 DBED C[C@H](C#N)C(=O)N1CC=C(CNC(=O)Cn2cnnn2)CC1 1756756696 CVDRMPIKCFSHAR-SNVBAGLBSA-N 303.326 -0.892 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(C(=O)Cn2cccn2)C[C@H]1O 1756993566 FXZYPYGJHGYRMQ-CHWSQXEVSA-N 304.350 -0.770 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@@H](NC(=O)c2cn[nH]c2)[C@H](OC)C1 1757116753 APUKBRDDFMQYDA-RAIGVLPGSA-N 320.349 -0.596 30 20 DBED CO[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1NC(=O)C#CC(C)C 1757127531 JWSHLRSSSBBAMG-CHWSQXEVSA-N 319.365 -0.570 30 20 DBED COC(=O)c1cc(S(=O)(=O)N[C@H](CCC#N)C(=O)O)c[nH]1 1777120380 JPYLPOZWWOYJTI-MRVPVSSYSA-N 315.307 -0.163 30 20 DBED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1C[C@@H]1F)CCO2 1783566212 RIKSJGIZHOMCSU-PGUXBMHVSA-N 324.308 -0.738 30 20 DBED N#CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnsn1)C2 1795077972 GZPRAUVXMFUPCA-BZBKMWRSSA-N 321.362 -0.345 30 20 DBED Cn1ccnc1C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1842513402 WTHFZCWQYONHQL-UHFFFAOYSA-N 316.317 -0.675 30 20 DBED C[C@H](C(=O)N(C)CCC#N)N(C)C[C@H](O)CN1CCOCC1 83245108 OZQVFHOTSJIOKK-KGLIPLIRSA-N 312.414 -0.628 30 20 DBED C=CCN1CCC(N/C(=N\C)NC[C@@H]2CN3CCN2CC3)CC1 179229250 BHWUZAGCMORVFG-MRXNPFEDSA-N 320.485 -0.198 30 20 DBED N#Cc1cc(F)ccc1S(=O)(=O)N1CCO[C@H](C(N)=O)C1 268250065 GYMFNOMDKBDZKF-JTQLQIEISA-N 313.310 -0.428 30 20 DBED CCOCCOC1CN(c2c(C#N)c(=O)n(C)c(=O)n2C)C1 272056669 YYTCQKUTSYGHQF-UHFFFAOYSA-N 308.338 -0.803 30 20 DBED CC#CC[C@H](NS(=O)(=O)c1cc(C(N)=O)n(C)c1)C(=O)O 274955270 GWCQDRXITDUCGP-VIFPVBQESA-N 313.335 -0.731 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)N[C@@]2(CCO)CCOC2)cc1 278053761 JJYHGSYKVDTBQX-INIZCTEOSA-N 317.345 -0.054 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N1C[C@H](C)S(=O)(=O)[C@H](C)C1 289725773 ZHIFGCYVCXUYKQ-OUAUKWLOSA-N 317.411 -0.106 30 20 DBED N/C(=N\CCc1cn[nH]c1)N1CCN(c2ncccn2)CC1 290738679 WVOGSTHQSLFCLK-UHFFFAOYSA-N 300.370 -0.121 30 20 DBED C=CCNC(=O)c1ccc(NC(=O)NC(CO)(CO)CO)cc1 294246495 PFPMRVBDFQESSA-UHFFFAOYSA-N 323.349 -0.560 30 20 DBED O=C(C/N=C(/O)CN1CCSC[C@H]1CO)N1CCCC1 329670752 TVBUNHKBHNNMMA-LLVKDONJSA-N 301.412 -0.025 30 20 DBED O=C1C[C@H](C/N=C(/O)N2CCN3CCOC[C@H]3C2)CN1C1CC1 329838316 MJGHPVPJBJGLQF-TZMCWYRMSA-N 322.409 -0.072 30 20 DBED N#Cc1ccc(NCC(=O)N2CCO[C@]3(CCOC3)C2)nc1 329966269 UWSHCHVBQMJPAJ-OAHLLOKOSA-N 302.334 0.383 30 20 DBED C/N=C(/O)NCC(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O 330527879 KWKJYLOEFAOQEB-VIFPVBQESA-N 308.342 -0.835 30 20 DBED N#CCNC(=O)CNC(=O)NCCOCC(F)(F)C(F)F 345983433 RNVZMADDFLGQOT-UHFFFAOYSA-N 314.239 -0.158 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC[C@]2(C)CCCO2)C1=O 347160901 IJMNGAYIQXFMGY-WBMJQRKESA-N 323.393 -0.083 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC[C@H](N2CCCS2(=O)=O)C1 365517084 RQOCWJMGNGQPAW-OLZOCXBDSA-N 313.423 -0.376 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N1CC[C@@H]2COC(=O)N[C@H]2C1 375962653 QDJLTMYQBZVGJU-AXFHLTTASA-N 316.383 -0.105 30 20 DBED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N1C[C@@H]2CNC[C@@H]2C1 418821327 GGHCJFHVZYXOII-IGQOVBAYSA-N 307.394 -0.238 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CCCC[C@@H]2[C@@H](C)N)nn1 424548953 QPAFYYAXCXTARU-DGCLKSJQSA-N 320.397 -0.191 30 20 DBED C#C[C@H](C)N(C)C(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 491765508 DKAXADFIUVGONT-TUAOUCFPSA-N 312.391 -0.498 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C)C(C)(C)C2)C1=O 550118752 SZOFQRBJELLSSD-UHFFFAOYSA-N 322.365 -0.484 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)NCCN1CCO[C@@H](C)C1 578084574 AZXIMPAIWSRITD-NEPJUHHUSA-N 304.416 -0.367 30 20 DBED COc1cc(OC)cc(C(=O)NCC(=O)NCC#CCO)c1 580344331 LQKVNOUUVUCCRE-UHFFFAOYSA-N 306.318 -0.455 30 20 DBED COC(=O)[C@@H]1C[C@@H](O)CN(CC(=O)N[C@](C)(C#N)C2CC2)C1 592206672 HFMPGMHPRCMQBA-IXPVHAAZSA-N 309.366 -0.349 30 20 DBED COC(=O)CN(CC#N)C(=O)c1oc(S(N)(=O)=O)cc1C 597272785 HZZURDLYRMSZJG-UHFFFAOYSA-N 315.307 -0.626 30 20 DBED C=C[C@@](C)(O)C(=O)N[C@@H]1CCCN(CCN2CCOCC2)C1 641671440 VTNQTPJUFCHQNC-GDBMZVCRSA-N 311.426 -0.164 30 20 DBED CC#CC[C@@H](CO)NC(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 645385982 ADENZFVNZAGWSQ-RYUDHWBXSA-N 317.411 -0.659 30 20 DBED CC#CCCNC(=O)CS(=O)(=O)CC(=O)NCCC#CC 654987794 LMGNHNSDGSSQEG-UHFFFAOYSA-N 312.391 -0.540 30 20 DBED C#CCOCCN(C)S(=O)(=O)c1cc(C(=O)O)n(C)c1 688028999 SQUQSWUTYNTPFS-UHFFFAOYSA-N 300.336 -0.006 30 20 DBED C#CCN1CCN(C(=O)Cn2cnc3ncccc3c2=O)CC1 750000325 OSZNQNADNLDQHV-UHFFFAOYSA-N 311.345 -0.431 30 20 DBED CC(=NNC(=S)NCC(N)=O)c1cc([N+](=O)[O-])ccc1O 758111303 VZIFEORXYQZPLX-UHFFFAOYSA-N 311.323 -0.026 30 20 DBED C#C[C@@H](NC(=O)N1CCN(C(=O)COC)CC1)[C@H]1CCCO1 773553166 BHEXLINDDOQBAA-CHWSQXEVSA-N 309.366 -0.333 30 20 DBED C#CCOCCNC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 784601537 WQGOUDFFOQFMOD-UHFFFAOYSA-N 316.317 -0.988 30 20 DBED N#CCNC(=O)COC(=O)[C@@H]1CCCN1C(=O)C(F)(F)F 786573608 UTEUPNABUHEACK-ZETCQYMHSA-N 307.228 -0.277 30 20 DBED Cn1cc(C=NN[C@@H](CO)c2ccccc2)c(=O)n(C)c1=O 788456389 UOFWZKYDXQCPBI-ZDUSSCGKSA-N 302.334 -0.259 30 20 DBED C#CCC[C@@H](O)CNC(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O 798417400 YXSQDNBREGOIKP-OLZOCXBDSA-N 319.365 -0.401 30 20 DBED CN(C)CCN1C(=O)C(=NNS(C)(=O)=O)c2ccccc21 807976752 SOHCGSQDBZJSGO-UHFFFAOYSA-N 310.379 -0.152 30 20 DBED CS(=O)(=O)CCN1CCC(N=c2nc[nH]cc2C#N)CC1 825733190 UHQMILMJDQLXTJ-UHFFFAOYSA-N 309.395 -0.309 30 20 DBED C#CCOc1ccccc1CNC(=O)[C@@H]1CC(=O)NC(=O)N1 827827350 SBUDCDAPQPFYCH-NSHDSACASA-N 301.302 -0.087 30 20 DBED Cc1oc(C(=O)N(CC#N)CC(=O)O)cc1S(N)(=O)=O 833024742 WBWHFFOJPKJGMN-UHFFFAOYSA-N 301.280 -0.714 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCC[C@H](C)[C@@H]1CN)[C@@H]1CCCO1 842164493 VUABYODCFDTWLU-XUXIUFHCSA-N 307.394 -0.131 30 20 DBED C#C[C@H]1COCCN1C(=O)C(=O)Nc1cccnc1C(=O)O 850789229 OJURAZMMQKKRSW-VIFPVBQESA-N 303.274 -0.421 30 20 DBED N#CCCN1CCN(C(=O)C(=O)N2CC[C@]3(CCCN3)C2)CC1 868390977 DOUGBIICFSVSQD-MRXNPFEDSA-N 319.409 -0.601 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)[C@H](C)N2CCOCC2)C1 938250743 UKUCKQMJHPSCNR-AVGNSLFASA-N 308.382 -0.416 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)Cn2ncn(C)c2=O)[C@H](C)C1 942201008 RUQRJCCODSLWKL-CHWSQXEVSA-N 307.398 -0.016 30 20 DBED C=CCn1cc(C(=O)N2CCCC[C@H](NC(=O)C(N)=O)C2)nn1 943489600 ZLQPXGCGLHISPZ-JTQLQIEISA-N 320.353 -0.940 30 20 DBED C#CCN1CCOC2(CCN(C(=O)[C@@H]3CCC(=O)N3C)CC2)C1 949437128 WLOZEUVBHLANPZ-AWEZNQCLSA-N 319.405 -0.066 30 20 DBED C#CCCN1CCOC2(CCN(C(=O)c3nnn(C)n3)CC2)C1 949443870 AJBXORMFRPRZLP-UHFFFAOYSA-N 318.381 -0.460 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1cnn(C)n1 952172773 HRUYLZLYCNTPIH-WZRBSPASSA-N 319.365 -0.263 30 20 DBED Cc1nnc(O)c(C(=O)NC[C@H]2CN(CC#N)C[C@@H]2O)c1C 958313252 LVLMRHCWSUTMKN-QWRGUYRKSA-N 305.338 -0.655 30 20 DBED C#CCCN1C[C@@H](O)[C@H](CNC(=O)c2ccn3nnnc3c2)C1 958322142 YXSDNFOXLUTPAC-CHWSQXEVSA-N 314.349 -0.830 30 20 DBED CC#CCN1C[C@@H](O)[C@H](CNC(=O)c2c(C)nn(C)c2OC)C1 958447862 KBGJIKLSPNFMHS-CHWSQXEVSA-N 320.393 -0.217 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2ccc3nnc(O)n3c2)C1 958475602 CIKLKQAMPJDRCI-VXGBXAGGSA-N 315.333 -0.909 30 20 DBED Cn1ncc(C(=O)NC[C@H]2CN(CC#N)C[C@H]2O)c1C1CC1 958750041 ZPXHYKBREHFJBS-WCQYABFASA-N 303.366 -0.156 30 20 DBED C#CCCN1C[C@H]2C(NC(=O)Cc3ccc(C(N)=O)nc3)[C@@H]2C1 960561581 UYAXJSFYULMOCH-CHWSQXEVSA-N 312.373 -0.207 30 20 DBED Cn1nnc(C(=O)N2CCC[C@H]([C@H]3CCN(CC#N)C3)C2)n1 961222749 ZGRQIQHGAYPAFO-RYUDHWBXSA-N 303.370 -0.092 30 20 DBED CC[C@H](OC)C(=O)N1C[C@H](O)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 962388150 QDLGQWTVJXESPC-AGIUHOORSA-N 320.349 -0.387 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)C12CCN(CC1)C2 964263623 RTTZALNAMWWRLC-OLZOCXBDSA-N 320.393 -0.415 30 20 DBED C[C@H](NC(=O)[C@H]1COCCN1CC(F)F)C1CN(CC#N)C1 970211781 BHJFFXKSGNVWPI-CMPLNLGQSA-N 316.352 -0.088 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)C(C)(C)C(N)=O)C[C@@H]2O)C1 970398630 HITPFQMMZDUOMO-MNOVXSKESA-N 323.393 -0.458 30 20 DBED O=C(N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O)[C@@H]1C[C@H]2CC[C@@H]1O2 970840246 DJMYLXQDGKZZKY-ZSAUSMIDSA-N 318.373 -0.345 30 20 DBED Cc1ccc(=O)n(CC(=O)N2C[C@H]3CC[C@H]2CN3CC#N)n1 972039744 VLAQYGWIUVRRJD-OLZOCXBDSA-N 301.350 -0.250 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)[C@@H]3CN(CC)CCO3)C2)C1 972682963 KHBRWMDAULINPR-DOTOQJQBSA-N 321.421 -0.356 30 20 DBED Cc1c(C(=O)N[C@H]2[C@@H]3CN(C(=O)[C@H](C)C#N)C[C@@H]32)nnn1C 976301769 CRMCZNGAEPUOMZ-BXSSEVMYSA-N 302.338 -0.530 30 20 DBED Cn1oc(C(=O)N[C@H]2[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]32)cc1=O 976423937 YVRPHJUFUQXDPD-HBYGRHMLSA-N 315.329 -0.422 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)[C@H]3CCCNC3=O)[C@H]2C1 976674296 LGRMLGPQFWDPTH-KKJSVHSVSA-N 304.350 -0.755 30 20 DBED C[C@@H]1OCCO[C@@H]1C(=O)N1CC(NC(=O)c2ccc(C#N)[nH]2)C1 990868321 LRWBDNDVNDEAOY-ZANVPECISA-N 318.333 -0.369 30 20 DBED N#Cc1cc(C(=O)NC2CN(C(=O)c3cnnc(O)c3)C2)c[nH]1 990935025 IIQPQBYJDMQVLI-UHFFFAOYSA-N 312.289 -0.364 30 20 DBED C#Cc1ccccc1CC(=O)N1CC(NC(=O)c2cnnn2C)C1 991108265 OJCBGNIKZGGJQS-UHFFFAOYSA-N 323.356 -0.020 30 20 DBED C=CCn1cc(C(=O)NC2CN(C(=O)[C@@H]3C[C@H]3OCC)C2)nn1 991673299 LGVNRRQZGWVQCU-DGCLKSJQSA-N 319.365 -0.170 30 20 DBED C#CCN1CC[C@]2(NC(=O)CN3CC(=O)N(C)C3=O)CCC[C@@H]12 992396127 LCTQNMLYNFVTOU-MLGOLLRUSA-N 318.377 -0.373 30 20 DBED C=CCN[C@@H]1CCC[C@H]2CN(C(=O)CN3CCNC(=O)C3)C[C@H]21 992779908 RLLZSLTUDFWHPY-RRFJBIMHSA-N 320.437 -0.179 30 20 DBED C[C@H](C#N)C(=O)N1CC(NC(=O)[C@@H]2CCCCS2(=O)=O)C1 993917265 KPXFPBZCZCIJCJ-KOLCDFICSA-N 313.379 -0.560 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CCOC2)C1 994752632 TVDQDCLTQFKRJI-OCCSQVGLSA-N 305.378 -0.553 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)CCn3ccnn3)C2)cn1 997090773 RAWBCLBIUBEIQN-UHFFFAOYSA-N 324.344 -0.315 30 20 DBED C=CCn1cc(C(=O)N2CC(NC(=O)[C@H]3C[C@@H](C)CO3)C2)nn1 997524789 OKFURPCHGHJBFS-ZWNOBZJWSA-N 319.365 -0.170 30 20 DBED O=C1NC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C#CC2CC2)N1 999858308 JAXIOKMDFSMXOH-VOAKCMCISA-N 316.361 -0.671 30 20 DBED C[C@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1NC(=O)c1nnn(C)n1 1005143320 HWFYVLSMIROTTM-JQWIXIFHSA-N 316.365 -0.410 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)c2nc[nH]n2)C1 1006897596 ONECCDCDJBXYBO-WCQGTBRESA-N 319.365 -0.028 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@H]1CN2C(=O)c1nnn(C)n1 1007468737 NHZZPCCZNQXAPV-LPEHRKFASA-N 303.326 -0.815 30 20 DBED O=C(NC1[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]12)[C@@H]1[C@H]2COC[C@H]21 1013607909 ZXWDEVJDTYCVMK-NTASLKFISA-N 300.358 -0.135 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@]2(NC(=O)C(N)=O)CCC[C@H]12 1014418230 AFURQSFOVOTYJS-YRORDHRNSA-N 321.377 -0.297 30 20 DBED C#CCCN1CCC2(CC1)C[C@H]2NC(=O)CN1CC(=O)NC1=O 1016878913 AQEASFLIEAGSNZ-GFCCVEGCSA-N 318.377 -0.468 30 20 DBED C=CCCn1cc(C(=O)N2[C@H]3CC[C@H]2CN(CC(N)=O)C3)nn1 1018047670 QOOCEVQXIIMMBH-RYUDHWBXSA-N 318.381 -0.372 30 20 DBED C[C@H](C#N)C(=O)N1CCC2(C1)CN(C(=O)[C@H]1CCC(=O)N1C)C2 1019313694 GVJJKPHXYIFCSL-VXGBXAGGSA-N 318.377 -0.172 30 20 DBED C[C@H](C#N)C(=O)N1CCC2(CN(C(=O)Cc3nc[nH]n3)C2)C1 1019465190 ZEZGGWWELITKHM-SNVBAGLBSA-N 302.338 -0.432 30 20 DBED O=C(Cc1cncnc1)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1023538585 LCRKBUXZCLFZEO-ZIAGYGMSSA-N 314.345 -0.880 30 20 DBED C#CCCN1CCCC[C@@H]1CNC(=O)c1nnc(O)nc1O 1024533414 WENBJLPUCMGCLM-SNVBAGLBSA-N 305.338 -0.110 30 20 DBED COc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2O)cn1 1024611776 CPDWZVKIZLDQOO-YUSALJHKSA-N 318.333 -0.449 30 20 DBED C[C@@]1(C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2O)CCCOC1 1025320030 UUJVSCGZDMQDSK-CKEIUWERSA-N 320.389 -0.096 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 1025691002 SKWKERBHLUQQIC-LMLFDSFASA-N 309.366 -0.992 30 20 DBED Cc1nc(C)c(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2O)[nH]1 1025699155 MCJWNKDMANSVJN-AVPPRXQKSA-N 305.338 -0.512 30 20 DBED C=CCn1cc(C(=O)NC2CN(Cc3cncn3C)C2)nn1 1031069822 BBJOEYSOSOHMEE-UHFFFAOYSA-N 301.354 -0.188 30 20 DBED C=C(C)CCN1CC(CNC(=O)[C@H]2CCS(=O)(=O)N2)C1 1032193980 KYLAFHDXEPXXNI-GFCCVEGCSA-N 301.412 -0.308 30 20 DBED C=CCn1cc(C(=O)N2C[C@@H]3C[C@H]2CN3Cc2cnon2)nn1 1032669870 DSSMINPNVDXYPQ-RYUDHWBXSA-N 315.337 -0.054 30 20 DBED C#CCN1C[C@@H]2C[C@H]1CN2C(=O)CN1C(=O)NC(C)(C)C1=O 1032766263 WKXHNSXMAVXZFK-QWRGUYRKSA-N 304.350 -0.765 30 20 DBED CC#CCN1CC[C@H](N(C)C(=O)Cn2nc(C)n(C)c2=O)C1 1033626305 PMDINOSELTVEHA-ZDUSSCGKSA-N 305.382 -0.554 30 20 DBED C#CCN1CC[C@H]2CN(C(=O)CN3CCOCC3=O)CC[C@H]21 1036738233 DDPJHSOMFQMESJ-UONOGXRCSA-N 305.378 -0.599 30 20 DBED CC#CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)CN1CCC(=O)NC1=O 1037668671 VTYVZKJDQVOAIN-UHIISALHSA-N 304.350 -0.860 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)c2cnns2)C1 1041698289 ZTBWTMCRRRLRKB-UHFFFAOYSA-N 308.363 -0.355 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)CCOCC#C)C1 1042801955 ZTPQWMFVDBTSKQ-UHFFFAOYSA-N 306.362 -0.481 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)CNC(=O)C2CC2)C1 1042802461 JMSFLCSVZBFVMH-UHFFFAOYSA-N 321.377 -0.994 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(O)CN(C(=O)[C@@]23COC[C@@H]2C3)C1 1042812192 NELCVSCAPLOFCK-PEYYIBSZSA-N 324.377 -0.961 30 20 DBED N#CCSCC(=O)N1CC(O)(CNC(=O)[C@H]2CC2(F)F)C1 1042911262 QIXZNVGOQPFPGV-MRVPVSSYSA-N 319.333 -0.412 30 20 DBED C[C@@H]1OCC[C@@H]1C(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042960880 PMQDUENCSNFEMN-AAEUAGOBSA-N 306.362 -0.486 30 20 DBED Cn1cc(C(=O)N2CC(O)(CNC(=O)C#CC(C)(C)C)C2)cn1 1042964459 GANVWHHKXPXOKK-UHFFFAOYSA-N 318.377 -0.227 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)C2(C3CC3)CC2)C1 1043492577 LKAROQCZTZVQPV-LBPRGKRZSA-N 320.389 -0.096 30 20 DBED C=CCN1CC[C@@H](N2CC(N(C)C(=O)c3cnon3)C2)C1=O 1044075664 DFRTXHUJLDSRJK-GFCCVEGCSA-N 305.338 -0.387 30 20 DBED Cc1cnc(C(=O)N2CC(O)(CNC(=O)[C@H](C)C#N)C2)cn1 1045541602 ZDSQPMORTADBNY-SECBINFHSA-N 303.322 -0.752 30 20 DBED COc1ccc(C(=O)N2CC(O)(CNC(=O)[C@H](C)C#N)C2)cn1 1045554827 KEEPECIPKAXNFF-SNVBAGLBSA-N 318.333 -0.447 30 20 DBED C=CCN1CC[C@H](N2CCN(C(=O)Cn3ncnn3)CC2)C1 1046030461 RQBZQPFEOYHERT-ZDUSSCGKSA-N 305.386 -0.922 30 20 DBED N#Cc1cncc(N[C@H]2C[C@H](CNC(=O)[C@@H]3CCNC3=O)C2)n1 1046981745 DMPZACLUECLPLE-CKYFFXLPSA-N 314.349 -0.209 30 20 DBED N#Cc1ccc(N[C@H]2C[C@H](CNC(=O)[C@H]3CNC(=O)N3)C2)nc1 1047009553 OBRSJPWJVIZTFT-IJLUTSLNSA-N 314.349 -0.059 30 20 DBED C#CCN1C[C@H]2C[C@@H](NC(=O)c3cnc(O)n(C)c3=O)C[C@H]1C2 1047126058 SQSPAQOYYBSTAD-QJPTWQEYSA-N 316.361 -0.298 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cn(C(C)(C)C)nn2)C1 1047405096 BBQIDSGSMHUZRO-STQMWFEESA-N 305.382 -0.217 30 20 DBED C=CCOCC(=O)N(C)[C@H]1CN(C(=O)c2ccncn2)C[C@@H]1O 1048558044 KOGVWNNURWMREY-STQMWFEESA-N 320.349 -0.677 30 20 DBED C=CCO[C@@H](C)C(=O)N(C)[C@H]1CN(C(=O)c2cocn2)C[C@@H]1O 1049011630 YMYVDAZIMBRMOG-DRZSPHRISA-N 323.349 -0.091 30 20 DBED N#CCN1C[C@H]2CN(C(=O)[C@H]3CCc4nnnn4CC3)C[C@H]2C1 1049073401 NUEOZDITSZMSNE-RWMBFGLXSA-N 315.381 -0.461 30 20 DBED C#CCN1CCC[C@@H](NC(=O)[C@@H]2Cc3cncn3C(=O)N2)CC1 1052584184 OQMYKJWRVYGKAR-OCCSQVGLSA-N 315.377 -0.031 30 20 DBED C=CCN1CCC[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)CC1 1052761100 MNAABLYSKNQURQ-GFCCVEGCSA-N 320.393 -0.146 30 20 DBED N#CCN1CCC[C@H](NC(=O)C2CC3(C2)NC(=O)NC3=O)CC1 1052784122 NPKZDODKKHFTCF-VTWZXRTESA-N 319.365 -0.531 30 20 DBED C=C(C)CN1CC2(C1)CN(C(=O)[C@H]1CN(C)C(=O)N1)CCO2 1053374693 KJCYSQJEIGLKAH-GFCCVEGCSA-N 308.382 -0.501 30 20 DBED CCN1CCOC[C@@H]1C(=O)NC[C@@H]1CCC2(CN(CC#N)C2)O1 1053620993 YUCVRQLMTBZQGM-UONOGXRCSA-N 322.409 -0.420 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1COC2(C1)CN(CCCO)C2 1053832815 OQKFBQTVMQJWFG-CABCVRRESA-N 321.421 -0.574 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)c3ccc(C(N)=O)cc3)CO2)C1 1054005161 GLZDTMRUOQYXSS-CQSZACIVSA-N 313.357 -0.008 30 20 DBED C=CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)Cn1cccn1 1056968895 SYRCMCAXZARDTH-ZDUSSCGKSA-N 324.381 -0.589 30 20 DBED C=C[C@@](C)(O)CC(=O)N(CCO)CCNC(=O)c1ccnnc1 1057451177 HARLBRABBCLGNZ-OAHLLOKOSA-N 322.365 -0.646 30 20 DBED C#CCCCCC(=O)NCCN(CCO)C(=O)c1cnnn1C 1057472940 BKPWNQQWWHJJIM-UHFFFAOYSA-N 321.381 -0.441 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)Cc1ccn(C)n1 1057549184 XFDGICHOANSQGM-LLVKDONJSA-N 307.354 -0.941 30 20 DBED N#Cc1nc(=N[C@@H]2CCCN(C(=O)[C@@H]3CCNC3=O)C2)cc[nH]1 1057724039 FCHKKASDTYLIHE-GHMZBOCLSA-N 314.349 -0.691 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)[C@@H]1CCCC(=O)N1C 1058654559 AULYPAHXWWGOLA-RYUDHWBXSA-N 324.381 -0.906 30 20 DBED CC(=O)N1CC(C(=O)NCC[C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)C1 1060288551 BCYZGEWSNXGGLY-WCQYABFASA-N 320.393 -0.021 30 20 DBED N#Cc1nccnc1NC[C@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 1060865326 PCAADRZTBWTFOE-MWLCHTKSSA-N 316.321 -0.283 30 20 DBED N#Cc1ccc(NC[C@@H]2CCN(C(=O)[C@H]3CNC(=O)N3)C2)nc1 1060972231 GKYIYGPGTUVQAT-NWDGAFQWSA-N 314.349 -0.105 30 20 DBED CSCC(=O)NC[C@@H]1COCCN1C(=O)CSCC#N 1061256507 PASXRTWWQWYFQF-SNVBAGLBSA-N 317.436 -0.050 30 20 DBED N#Cc1nccnc1N1CCC[C@@H]1CNC(=O)[C@@H]1CCNC1=O 1061422166 CAKWEBAXDYGSQI-GHMZBOCLSA-N 314.349 -0.431 30 20 DBED N#Cc1ccc(N2CC[C@@H](CNC(=O)[C@H]3CCC(=O)N3)C2)nn1 1061539539 PROMJMOJQVMWOR-CMPLNLGQSA-N 314.349 -0.431 30 20 DBED C#CCOCCC(=O)NC[C@H]1COCCN1C(=O)CCOC 1061580752 FAKMVFXUWDFUMJ-ZDUSSCGKSA-N 312.366 -0.594 30 20 DBED C=CCOCC(=O)N1CCCC[C@@H]1CNC(=O)[C@H]1C[C@H]1C(N)=O 1062070286 GFHVOVKGOOMJIK-UPJWGTAASA-N 323.393 -0.192 30 20 DBED C=CCOCC(=O)NCC1(NC(=O)[C@H]2CCC(=O)N2)CCC1 1062702264 KBQNGYSVOORDLT-LLVKDONJSA-N 309.366 -0.377 30 20 DBED CNC(=O)NCCC(=O)NCC1(NC(=O)[C@@H](C)C#N)CCC1 1062931446 SLSFQCMGVIVNBQ-JTQLQIEISA-N 309.370 -0.380 30 20 DBED N#Cc1nccnc1NC[C@H]1CCCN1C(=O)[C@@H]1CCNC1=O 1063539128 NRCDWARETVXSIT-GHMZBOCLSA-N 314.349 -0.113 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCO[C@H](CNC(=O)COC)C1 1065277911 CJLBPRSXPMXGLG-NWDGAFQWSA-N 300.355 -0.433 30 20 DBED CC#CCCCC(=O)N1CCO[C@@H](CNC(=O)CNC(C)=O)C1 1065481104 RGSRDFIXGSGGDJ-AWEZNQCLSA-N 323.393 -0.340 30 20 DBED C[C@@H](N=c1cc[nH]c(C#N)n1)[C@H]1CCN(C(=O)CC(N)=O)C1 1065685218 WGFMEOCLJDAAIX-ZJUUUORDSA-N 302.338 -0.706 30 20 DBED CC(C)C#CC(=O)N1CCC[C@H](NC(=O)Cn2cnnn2)CC1 1065830494 DOLKWDCKEHVVAY-ZDUSSCGKSA-N 318.381 -0.170 30 20 DBED C[C@@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1Nc1ccc(C#N)nn1 1067042241 MUHKBOJJSWCPIF-KOLCDFICSA-N 313.325 -0.706 30 20 DBED C[C@H]1CN(C(=O)c2nnn(C)n2)C[C@@H]1Nc1cncc(C#N)n1 1067176587 KOLYSTKBZLPLJT-WPRPVWTQSA-N 313.325 -0.556 30 20 DBED N#Cc1nccnc1NC[C@H]1C[C@H](NC(=O)[C@H]2CCC(=O)N2)C1 1068460796 UPCYQAWEONFRPW-GMTAPVOTSA-N 314.349 -0.066 30 20 DBED CC(C)(C)C#CC(=O)N1CC2(C[C@@H](NC(=O)C(N)=O)CO2)C1 1068994683 NADWETAPFKRDMD-SNVBAGLBSA-N 307.350 -0.993 30 20 DBED C=CCCC(=O)N1CC2(C[C@@H](NC(=O)Cn3cncn3)CO2)C1 1069046327 NLGZAGBGTWRLNI-GFCCVEGCSA-N 319.365 -0.270 30 20 DBED C#CCOCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=COCCO2)C1 1072097204 KKYYCCHDQKGRTC-OLZOCXBDSA-N 322.361 -0.122 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@H]1C 1072301217 ZPGXQUBCBMATCG-GHMZBOCLSA-N 311.382 -0.336 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCN([C@@H]3CCC(=O)NC3=O)C2)C1 1072553187 WOUUGLPGYPMIQA-WDEREUQCSA-N 304.350 -0.514 30 20 DBED C=CCN1CCO[C@@H]2CCN(C(=O)c3ccc(=O)n(C)n3)C[C@@H]21 1074399463 FJOXCCJUHUWJJR-UONOGXRCSA-N 318.377 -0.118 30 20 DBED Cc1c[nH]nc1C(=O)N1CCC(O)(CNC(=O)[C@H](C)C#N)CC1 1074580054 AAOGCFHDUAPTHH-SNVBAGLBSA-N 319.365 -0.039 30 20 DBED C=CCOCC(=O)NCC[C@H](C)NC(=O)COCCOC 1075917849 LMDPOHJXBPPLMT-LBPRGKRZSA-N 302.371 -0.137 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 1076990989 PUHQLDOCWHZTJU-RAIGVLPGSA-N 319.365 -0.890 30 20 DBED C#CCCCC(=O)N[C@@H](C)CCNC(=O)C[C@@H]1CC(=O)NC1=O 1077318410 XHFUBFBAPPMVKH-NWDGAFQWSA-N 321.377 -0.146 30 20 DBED Cc1cnc2c(cnn2CC(=O)N[C@@H]2CN(CC#N)C[C@H]2O)c1 1077398028 BFXXPXVQLKLSKB-CHWSQXEVSA-N 314.349 -0.575 30 20 DBED C#CCOCCC(=O)N1CC(N(CC)C(=O)c2cnnn2C)C1 1079701414 DSHUIZPDIKIRCN-UHFFFAOYSA-N 319.365 -0.472 30 20 DBED C=CCO[C@H](C)C(=O)N1CC(N(CC)C(=O)[C@H]2C[C@H]2C(N)=O)C1 1080565732 UNLGYTLPYMGKGX-RTXFEEFZSA-N 323.393 -0.242 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN([C@H](C)C(N)=O)C[C@H]2C)nc1 1080807937 AIIJZFKIMRHLTI-JTNHKYCSSA-N 300.362 -0.013 30 20 DBED C#CCO[C@@H](C)C(=O)NC1(CO)CCN(C(=O)[C@H](C)C#N)CC1 1080861458 TWKHKAWFAIKGCO-OLZOCXBDSA-N 321.377 -0.346 30 20 DBED N#Cc1c[nH]c(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C(F)F)C2)c1 1081149034 DJKQDOXLPMGIIK-WCBMZHEXSA-N 312.276 -0.299 30 20 DBED C=CCN1CC[C@H](N2C[C@@H](NC(=O)C(F)F)[C@H](OC)C2)C1=O 1081247069 RBZMWGPZURQILX-OUAUKWLOSA-N 317.336 -0.146 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2cn[nH]c2)C[C@H]1O 1081343891 JEJCTYQVSCKGGV-VXGBXAGGSA-N 308.338 -0.839 30 20 DBED CC(C)(C)C#CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cnn[nH]2)C1 1081590848 XQUOUZVLSRHLBI-CMPLNLGQSA-N 319.365 -0.597 30 20 DBED C#CCCN1C[C@@H](NC(=O)Cn2nnnc2C(C)C)[C@H](OC)C1 1082215252 QVQJCLNYAVFYHN-CHWSQXEVSA-N 320.397 -0.365 30 20 DBED N#Cc1ccc(C(=O)N2CCO[C@@H]3CN(CCCO)C[C@@H]32)[nH]1 1083049579 YHNYDVXYQZSYGG-UONOGXRCSA-N 304.350 -0.206 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCCN2c2nccs2)C1 1083669251 AOUWYWIYFXVHRE-UTUOFQBUSA-N 321.406 -0.203 30 20 DBED C=C(C)CN1CC[C@@H]2CN(C(=O)Cn3ncn(C)c3=O)[C@@H]2C1 1084466924 IGRKIEWOYKXWLO-CHWSQXEVSA-N 305.382 -0.309 30 20 DBED C#CCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCN(C)S1(=O)=O 1085868581 UGSLFTASHMCQPN-OLZOCXBDSA-N 313.423 -0.424 30 20 DBED Cc1nc(C(=O)NC[C@H]2C[C@H](NCC#N)C2)nn1-c1nc[nH]n1 1086443004 ZKLUYIWDJCMEDR-MGCOHNPYSA-N 315.341 -0.685 30 20 DBED C#CCN1CC[C@@H](OCC2CCN(C(=O)CC(N)=O)CC2)C1 1088231347 OVEHEQHCUDTNER-CQSZACIVSA-N 307.394 -0.176 30 20 DBED CC1(C)C[C@@H](NC(=O)Cn2c(O)nnc2O)CCN(CC#N)C1 1089546755 VESSSZKMCZTQPK-JTQLQIEISA-N 322.369 -0.180 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(c2cc(COC)ncn2)C[C@H]1O 1090392349 VHMLAZJXULEACY-CHWSQXEVSA-N 322.365 -0.509 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CN(c2ccc(C#N)c(C)n2)C[C@H]1O 1090404934 YZDHEAOOOUXNPJ-VXGBXAGGSA-N 317.349 -0.937 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1C 1090651879 JFYQUNNPCQESRN-BXKDBHETSA-N 302.338 -0.575 30 20 DBED C#CCN1CC[C@H](NC(=O)c2ccnc3nc(C)nn23)[C@@H](O)C1 1090724518 KJQUDGXQJFBWIU-AAEUAGOBSA-N 314.349 -0.769 30 20 DBED C=CCCN1CC[C@@H](NC(=O)CN2C(=O)CCC2=O)[C@@H](O)C1 1090793570 FXTKCDMSZWFFPP-NEPJUHHUSA-N 309.366 -0.737 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2cc(C(N)=O)ccn2)[C@@H](O)C1 1090858146 NSEKKMFNKXLMQB-JSGCOSHPSA-N 316.361 -0.631 30 20 DBED CO[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1NC(=O)CCN(C)C 1090936466 IJMQQEPOWBYFNN-VXGBXAGGSA-N 318.381 -0.380 30 20 DBED C=CCNC1CC(CNC(=O)[C@@H]2CCN(C)S2(=O)=O)C1 1091277375 OSGZUHZSSACJMR-MCIGGMRASA-N 301.412 -0.309 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(c2cncc(C#N)n2)C[C@@H]1O 1092153259 FITVYYGKDISBHU-STQMWFEESA-N 317.349 -0.393 30 20 DBED Cc1nc(N2CCO[C@](C)(CNC(=O)C(N)=O)C2)ccc1C#N 1092775359 WEOGITPDFVUUOO-OAHLLOKOSA-N 317.349 -0.542 30 20 DBED C#CCN[C@@H]1C[C@@]2(C[C@H]1O)CN(C(=O)CC(N)=O)[C@@H]2C(C)C 1093437740 WKIXGVVZLIROOP-CZPYZCIJSA-N 307.394 -0.539 30 20 DBED N#Cc1ccc(NCCNC(=O)c2cncc(C(N)=O)c2)nn1 1093659528 JKQBDTMPZTYQEA-UHFFFAOYSA-N 311.305 -0.316 30 20 DBED CN(C)C(=O)C1(C(=O)NCCNc2cncc(C#N)n2)CC1 1093852214 BXVJVZAXWOPCJP-UHFFFAOYSA-N 302.338 -0.255 30 20 DBED CN1CCC[C@@H]1C(=O)NCc1cn(C2CN(CC#N)C2)nn1 1094278630 LWKMCEZBMASMMA-CYBMUJFWSA-N 303.370 -0.631 30 20 DBED N#Cc1nccnc1NCCCNC(=O)[C@H]1CCCNC1=O 1094627955 BWNGPXNDJCUBGY-JTQLQIEISA-N 302.338 -0.207 30 20 DBED C#CCCN1CC(N2C[C@H](NC(=O)[C@@H]3CCCOC3)CC2=O)C1 1094711341 DWKPSMMUCYFKMC-ZIAGYGMSSA-N 319.405 -0.162 30 20 DBED CCc1nc(C(=O)N[C@@H]2CC(=O)N(C3CN(CC#N)C3)C2)co1 1094727958 SIVBVEWDXVFLCX-SNVBAGLBSA-N 317.349 -0.225 30 20 DBED C=C(C)CN1CC(N2C[C@H](NC(=O)Cc3cnc[nH]3)CC2=O)C1 1094788787 URYVCFDMVXKHQC-CYBMUJFWSA-N 317.393 -0.070 30 20 DBED C#CCNC(=O)CC(=O)NC1CCN(c2ncc(F)cn2)CC1 1095412057 BTIKQBUAIXYWCJ-UHFFFAOYSA-N 319.340 -0.160 30 20 DBED C[C@@H](CNC(=O)[C@@H]1COCCN1C)Nc1ccc(C#N)nn1 1097764132 BBXBWWLOLLSDIM-JQWIXIFHSA-N 304.354 -0.405 30 20 DBED CC(=O)NCC(=O)N1CC[C@@H](CNc2cncc(C#N)n2)C1 1098495971 GALYYAHUCGRULD-NSHDSACASA-N 302.338 -0.255 30 20 DBED COCCNCc1cn([C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)nn1 1098634334 QMTXKZFHDBQATH-WCQYABFASA-N 306.370 -0.053 30 20 DBED C=CCNCc1cn([C@H]2CCN(C(=O)[C@@H]3CCNC3=O)C2)nn1 1098698062 PDGOYBGDEDPCCP-QWHCGFSZSA-N 318.381 -0.537 30 20 DBED CCNC(=O)CCC(=O)NCC[C@H](C)N=c1cc[nH]c(C#N)n1 1098924144 CIAJGWBMDADVBT-NSHDSACASA-N 318.381 -0.007 30 20 DBED C#CCCCC(=O)N[C@H]1CCN(CC(=O)NC2CC2)C[C@@H]1O 1099808018 ZYEXZXSBBKUKAT-KBPBESRZSA-N 307.394 -0.380 30 20 DBED CC(C)(C)NC(=O)CN1CC[C@H](NC(=O)C#CC2CC2)[C@@H](O)C1 1099812550 FVQQIDLEGFSRRF-KBPBESRZSA-N 321.421 -0.134 30 20 DBED CC1(C(=O)N[C@H]2CCN(CC(=O)NCC#N)C[C@H]2O)CCC1 1099944832 RLIFHCBFAGLCTF-NWDGAFQWSA-N 308.382 -0.632 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2nccs2)[C@H](O)C1 1100044457 WWKPKUUDANLYRS-VXGBXAGGSA-N 309.391 -0.042 30 20 DBED C=CCN1CC[C@@H](NC(=O)CN(C)S(=O)(=O)CC)[C@@H](O)C1 1100057040 CBBQEYADFQNTTD-NEPJUHHUSA-N 319.427 -0.995 30 20 DBED CCN(CCNC(=O)[C@H]1CCCNC1=O)c1nccnc1C#N 1100640401 UMRSGLAESCKWTE-NSHDSACASA-N 316.365 -0.183 30 20 DBED CC(=O)NCC(=O)NC[C@@H]1CCCN1c1nc(C)cc(C#N)n1 1100770207 ODEDUKJNGPKQIL-ZDUSSCGKSA-N 316.365 -0.122 30 20 DBED N#Cc1cccnc1N1CCC[C@@H]1CNC(=O)Cn1ncnn1 1100868448 XEDNRHKFBKRZAY-GFCCVEGCSA-N 312.337 -0.275 30 20 DBED CN(CCNc1ncccc1C#N)C(=O)Cn1c(O)nnc1O 1101719215 JOBVVSHKVINMHA-UHFFFAOYSA-N 317.309 -0.474 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1101916801 OUHVABGNQZDVTP-XJKCOSOUSA-N 322.409 -0.363 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H]1CN(Cc2nc(O)n[nH]2)C[C@H]1C 1101964034 AJHIHMPVIIFFRQ-GRYCIOLGSA-N 321.381 -0.267 30 20 DBED CCS(=O)(=O)NCC(=O)NC[C@@H]1CN(CC#N)C[C@H]1C 1102016608 DYFFAHYPUIBEHL-GHMZBOCLSA-N 302.400 -0.867 30 20 DBED CC[C@H](CNC(=O)Cn1cnnc1O)N=c1cc[nH]cc1C#N 1103066432 XXINAHXIRVXJOB-LLVKDONJSA-N 315.337 -0.321 30 20 DBED C[C@H](CNC(=O)[C@@H]1COCCN1C)CNc1cncc(C#N)n1 1103922343 ACBBZWHPUDWBEZ-AAEUAGOBSA-N 318.381 -0.157 30 20 DBED C#CCNCc1cn(C2CN(C(=O)CCn3cccn3)C2)nn1 1105161738 CRSXXTNIWKNQBF-UHFFFAOYSA-N 313.365 -0.329 30 20 DBED CC#CCNCc1cn(C2CN(C(=O)CNC(=O)CC)C2)nn1 1105191781 FDKREORYYMQQNQ-UHFFFAOYSA-N 318.381 -0.700 30 20 DBED C=CCOCC(=O)NC[C@H](O)CNc1nc[nH]c2ncnc1-2 1105748481 UYEJRRXNLDHNHE-VIFPVBQESA-N 306.326 -0.604 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)[C@H]2CCC(=O)N2)nc1 1105750067 GSWCCWDWULEEIZ-WDEREUQCSA-N 303.322 -0.879 30 20 DBED Cc1n[nH]c(C)c1C(=O)NC[C@H](O)CNc1ccc(C#N)nn1 1105932514 MNKMUTJMHCFYBI-LLVKDONJSA-N 315.337 -0.109 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](O)CNC(=O)[C@@]2(C)CCOC2)n1 1105938941 GYLWLDXIUGOKHY-WFASDCNBSA-N 319.365 -0.028 30 20 DBED CC(=O)NC(C)(C)C(=O)NC/C=C\CN=c1cc[nH]c(C#N)n1 1107259827 WJPYWVCYNDXEHG-PLNGDYQASA-N 316.365 -0.231 30 20 DBED COC[C@@H](OC)C(=O)NC/C=C\CN=c1cc[nH]c(C#N)n1 1107497271 FWLMCLHDICDDMR-DLRQAJBASA-N 305.338 -0.484 30 20 DBED C[C@H](C(=O)NC/C=C\CNc1ccc(C#N)nn1)S(C)(=O)=O 1107576795 QKIVCTXEVPZUAH-UMBAGQNISA-N 323.378 -0.134 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)[C@H]1CCNC(=O)C1 1107687356 VRSUVCPCJCBAOO-ZJUUUORDSA-N 302.338 -0.787 30 20 DBED C[C@H](CNc1cncc(C#N)n1)NC(=O)[C@]1(C)CCNC1=O 1108105937 UPZCONFQDFNDPT-YMTOWFKASA-N 302.338 -0.209 30 20 DBED CCCN1C[C@@H](C(=O)NC[C@]2(C)CN(CC#N)CCO2)CC1=O 1108250169 PJVJPEKEIKCZFU-XJKSGUPXSA-N 322.409 -0.024 30 20 DBED Cc1cc(=NC[C@H](C)NC(=O)[C@@H]2CN(C)CCO2)c(C#N)c[nH]1 1108302854 GRDPDNGLMRDKKI-WFASDCNBSA-N 317.393 -0.069 30 20 DBED CN1C(=O)CCC[C@@H]1C(=O)NC[C@@]1(C)CN(CC#N)CCO1 1108373160 PJOHAZQKLBTTQW-DOMZBBRYSA-N 308.382 -0.272 30 20 DBED C#CCOCCC(=O)N[C@@H]1CC(=O)N(C2CN(CCOC)C2)C1 1108545733 DKHFGKIXZKZMNO-CYBMUJFWSA-N 323.393 -0.926 30 20 DBED COCCOCC(=O)N[C@@H](CN=c1cc[nH]c(C#N)n1)C1CC1 1109815045 QKYHJKVLJPFZHI-LBPRGKRZSA-N 319.365 -0.260 30 20 DBED Cc1cc(C#N)nc(NC2(CNC(=O)[C@H]3CCNC3=O)CC2)n1 1110301885 RBJRLACBSGPFNQ-NSHDSACASA-N 314.349 -0.147 30 20 DBED C#CCNC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1nc[nH]n1 1111165456 JCDVVHHULAARBD-KKOKHZNYSA-N 316.365 -0.722 30 20 DBED CS(=O)(=O)NCCC(=O)N[C@]12CCC[C@H]1CN(CC#N)C2 1111768164 SSKAOARQCUIZKN-AAEUAGOBSA-N 314.411 -0.580 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(c2cc(F)ncn2)C[C@H]1O 1112701445 GVNNDSSLZHWRKV-WDEREUQCSA-N 310.329 -0.268 30 20 DBED CCOCCC(=O)NC[C@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1112703054 XGDRPGZUTAOBFI-AAEUAGOBSA-N 319.365 -0.312 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(c2cc(C)ncn2)C[C@@H]1O 1112739240 WLYNSIPXXZQZRX-KGLIPLIRSA-N 318.377 -0.262 30 20 DBED C#CCOCCC(=O)N1CCN(C[C@H](O)Cn2cccn2)CC1 1112844777 FVZYXROJZXLLAP-HNNXBMFYSA-N 320.393 -0.572 30 20 DBED C[C@H](NC(=O)CCCC(N)=O)[C@@H](C)N=c1cc[nH]c(C#N)n1 1113077628 QGRJCPHAECYJSJ-ZJUUUORDSA-N 304.354 -0.269 30 20 DBED C[C@H](NC(=O)Cn1ncnn1)[C@@H](C)Nc1ncccc1C#N 1113194593 SKKWAPUFPJPPMW-VHSXEESVSA-N 300.326 -0.055 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)c2coc(C3CC3)n2)CC1 1113410294 VMJRIZFQMSKSKP-UHFFFAOYSA-N 317.349 -0.050 30 20 DBED C[C@@H](CNC(=O)[C@H]1COCCO1)N(C)c1nccnc1C#N 1113501946 QVADHTLWKXKWMV-CMPLNLGQSA-N 305.338 -0.295 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H](C)N(C)c1nccnc1C#N 1113567327 PFKOGIWGZOEOBX-LLVKDONJSA-N 314.349 -0.571 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CN(c2cnc(C#N)cn2)CC[C@H]1C 1114012297 ZPVGFMUPHBQAHS-ZYHUDNBSSA-N 316.365 -0.185 30 20 DBED CO[C@H](C(=O)NC1[C@H]2CN(CC(=O)NCC#N)C[C@H]12)C(C)C 1114779938 CISOXVWZEWAADT-MJVIPROJSA-N 308.382 -0.656 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)[C@H]2C1 1114858436 AMVNNCUMIULZBH-UNVMTRKTSA-N 319.405 -0.098 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)NC1[C@@H]2CN(CCO)C[C@@H]12 1115302755 UYWOYYMGJWNQQC-GHMZBOCLSA-N 310.398 -0.711 30 20 DBED C[C@@H](CN(C)C(=O)[C@@H](C)n1cncn1)N=c1cc[nH]c(C#N)n1 1115677808 FROBNVUIJTVJFU-WDEREUQCSA-N 314.353 -0.118 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N1CC[C@H](CN(C)C)C1 1118539678 XFEOIPPKOMEISF-CQSZACIVSA-N 309.410 -0.105 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)C(=O)N2CCO[C@H](C(F)F)C2)C1 1119007545 KIVBLTXERMOQBI-TVQRCGJNSA-N 317.292 -0.644 30 20 DBED N#Cc1nc(=N[C@@H](CO)CNC(=O)C2=COCCC2)cc[nH]1 1121198929 SSYVLALRDWAPQN-LLVKDONJSA-N 303.322 -0.647 30 20 DBED Cc1cc(CC(=O)NC[C@@H](CO)N=c2cc[nH]cc2C#N)no1 1121228043 AKKSZYBOCRRJCQ-ZDUSSCGKSA-N 315.333 -0.197 30 20 DBED Cc1cc(C#N)nc(N[C@H](CO)CNC(=O)c2ccnnc2)n1 1122603403 BGBNQLMZHMJABI-LBPRGKRZSA-N 313.321 -0.351 30 20 DBED CN(C[C@@H](O)CNc1cncc(C#N)n1)C(=O)C1=COCCO1 1124071470 ADUUCXXOEUHIMX-NSHDSACASA-N 319.321 -0.532 30 20 DBED CC[C@H](C)OCC(=O)N(C)C[C@H](O)CN=c1cc[nH]c(C#N)n1 1124250694 LKUAUYIKBUTMPZ-NWDGAFQWSA-N 321.381 -0.184 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C[C@H](O)CNc1cc(F)ncn1 1124520741 WMLCOXYMWFDYGG-WDEREUQCSA-N 310.329 -0.115 30 20 DBED N#Cc1c[nH]c(C(=O)NCCNC[C@@H]2CCS(=O)(=O)C2)c1 1125361024 OTWKTWHKTLLRBP-JTQLQIEISA-N 310.379 -0.360 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@H]1CCN(C)[C@@H]1CC 1127706155 IXCVERPFCDBHOU-MELADBBJSA-N 308.426 -0.440 30 20 DBED CC#CCN1CCn2ncc(CNC(=O)CNC(=O)CC)c2C1 1128269987 WYQIHFFCMFOAEM-UHFFFAOYSA-N 317.393 -0.136 30 20 DBED CCCN(C)CCC(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1 1129400305 FPJPHFCNCNEIOF-KGLIPLIRSA-N 319.413 -0.125 30 20 DBED C=CCN1CC[C@H](c2n[nH]cc2CNC(=O)Cn2cnnn2)C1 1130342972 UEGHFHNJAPWPRC-NSHDSACASA-N 316.369 -0.312 30 20 DBED C#CCN1CC[C@H](c2n[nH]cc2CNC(=O)Cn2cncn2)C1 1130445721 AMDVYNJDUGTMJE-LBPRGKRZSA-N 313.365 -0.260 30 20 DBED COCC#CCN1C[C@H](NC(=O)Cn2nccn2)CC[C@H]1C 1132060597 IDRIUBCDXZZAFV-ZIAGYGMSSA-N 305.382 -0.103 30 20 DBED C=CCN1C[C@H](NC(=O)CNS(=O)(=O)N(C)C)CC[C@@H]1C 1132327673 SXEOVEBBRSBIQF-NWDGAFQWSA-N 318.443 -0.463 30 20 DBED C[C@H]1CC[C@@H](NC(=O)Cc2ncc[nH]2)CN1CC(=O)NCC#N 1132380251 HPWXSRWUDZVMHO-NWDGAFQWSA-N 318.381 -0.439 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)c1cn(C)nc1C 1133937040 UISCFHAKKFWJLB-NEPJUHHUSA-N 319.409 -0.036 30 20 DBED C=CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)CC(=O)N(C)C 1135636486 VKHLZSWANTZWJM-NWDGAFQWSA-N 312.414 -0.360 30 20 DBED N#CCNC(=O)CN1CCC2(C1)CN(C(=O)[C@@H]1CCCO1)C2 1146933550 JMOLUKNYEQZGKO-LBPRGKRZSA-N 306.366 -0.661 30 20 DBED N#CCNC(=O)CN1CCC2(C1)CN(C(=O)c1csnn1)C2 1147996872 ADLVZLONYKXKNR-UHFFFAOYSA-N 320.378 -0.674 30 20 DBED Cc1nonc1C(=O)N1CC2(CCN(CC(=O)NCC#N)C2)C1 1148905577 CXFKAXIADUKWDC-UHFFFAOYSA-N 318.337 -0.834 30 20 DBED CC#CCN1CCCO[C@@H](CNC(=O)CS(C)(=O)=O)C1 1149374999 MJFNPNKRJKCWMH-LBPRGKRZSA-N 302.396 -0.739 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CN(CCN2CCCC2=O)CCCO1 1149415957 PXURGMOOMZTJHG-ZIAGYGMSSA-N 322.409 -0.024 30 20 DBED CN1C(=O)CC[C@H]1CC(=O)NC[C@@H]1CN(CC#N)CCCO1 1150078070 GKFJCVQRPCPYLI-QWHCGFSZSA-N 308.382 -0.272 30 20 DBED Cn1cc(OCC(=O)NC[C@@H]2CN(CC#N)CCCO2)cn1 1150179099 GADJXSSVQWKXTL-GFCCVEGCSA-N 307.354 -0.470 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)NCCNCc1cn(C)nn1 1152399458 VQUCWMQJFPSOOB-UHFFFAOYSA-N 323.401 -0.715 30 20 DBED CCN(Cc1nc(=O)n(C)[nH]1)[C@H](C)CNC(=O)C#CC1CC1 1153233243 YPNGYKMNKWAOJT-LLVKDONJSA-N 305.382 -0.152 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)Cn2cccn2)C1=O 1154608789 ZMJAEAVXIRMWFL-ZDUSSCGKSA-N 305.382 -0.234 30 20 DBED C=CCNC(=O)NC(=O)CNCCCNC(=O)c1cocn1 1155735665 GCFHQUFKJTZJEV-UHFFFAOYSA-N 309.326 -0.604 30 20 DBED C#CCNC(=O)CC(=O)NCCCNCC(=O)N1CCCCC1 1156852783 NMZSBFNGXVHQBE-UHFFFAOYSA-N 322.409 -0.766 30 20 DBED CC(=O)NCC(=O)N[C@@H](C)CCCCNCC(=O)NCC#N 1168873439 IXTKBZPOZUULEU-NSHDSACASA-N 311.386 -0.973 30 20 DBED C[C@@H](CCCCNCCNS(C)(=O)=O)NC(=O)[C@@H](C)C#N 1169831469 ILMILOGKHMRSRN-RYUDHWBXSA-N 318.443 -0.040 30 20 DBED N#CCNC(=O)CNCCCNC(=O)COCc1cccnc1 1174722899 YWFSLRDFKOZGNC-UHFFFAOYSA-N 319.365 -0.666 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)[C@H]1C 1179569940 ZLMCEVUGXUCWAY-QRTUWBSPSA-N 319.405 -0.118 30 20 DBED C#CCNC[C@H]1CCN(C(=O)Cn2ncn(C)c2=O)C[C@@H]1C 1184682492 DTMMPXCKOSEJHH-QWHCGFSZSA-N 305.382 -0.711 30 20 DBED C=CCOCC(=O)N1CC[C@@H](N(C)[C@H]2CCC(=O)NC2=O)C1 1189381513 YFTKCQQEHPIANX-NEPJUHHUSA-N 309.366 -0.473 30 20 DBED CCO[C@H](C(=O)N1CC[C@@H](N(C)CC(=O)NCC#N)C1)C1CC1 1190203302 KHUYDSQBDIHKLU-HIFRSBDPSA-N 322.409 -0.026 30 20 DBED C#CCCN(C)[C@@H]1CCN(C(=O)CC[C@H]2NC(=O)NC2=O)C1 1193905318 IHBJYICOHNMQEM-VXGBXAGGSA-N 306.366 -0.469 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC2(C)C)C1 1195444062 MEBKLEPLPHJQGF-YNEHKIRRSA-N 307.394 -0.667 30 20 DBED Cc1cn(C)nc1C(=O)N1CCCN(CC(=O)NCC#N)CC1 1195768876 HFOSHUGYZBGPCU-UHFFFAOYSA-N 318.381 -0.484 30 20 DBED C[C@@H](C#N)C(=O)N1CCCO[C@@H](CNCCn2cncn2)C1 1200115466 MKLJPRPQENRVJK-STQMWFEESA-N 306.370 -0.355 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)[C@@H]2CCNC(=O)C2)CCCO1 1200239168 PZGWWWMUXLADBH-ZIAGYGMSSA-N 307.394 -0.257 30 20 DBED CC[C@]1(C(=O)N2CCCO[C@@H](CNCC#N)C2)CCNC1=O 1200720796 DBZRKRWYBDIJIV-WFASDCNBSA-N 308.382 -0.367 30 20 DBED C#CCCNC[C@H]1CN(C(=O)c2ccc(C(N)=O)[nH]2)CCCO1 1201419547 GABDZOBKTNIJHA-LBPRGKRZSA-N 318.377 -0.042 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CCN(C(=O)[C@@H](C)CC(N)=O)CC1 1201984319 FWLFMURDVWLVLI-NWDGAFQWSA-N 322.409 -0.784 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)c2c(C)n[nH]c2C)CC1 1202962250 XYJFTDHHWSRZMJ-UHFFFAOYSA-N 317.393 -0.030 30 20 DBED CNC(=O)CC(=O)N1CC2(CCN(CC#N)CC2)[C@H]2COC[C@H]21 1205491760 GSOPEBPWNKYODJ-QWHCGFSZSA-N 320.393 -0.415 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)COCCC)[C@H](C)C1 1206441833 WBVSLVBVOXVZGF-HZSPNIEDSA-N 309.410 -0.013 30 20 DBED C=CCNCC1CCN(C(=O)CC[C@@H]2NC(=O)NC2=O)CC1 1206917621 PXOUTWGWXIIOKB-LBPRGKRZSA-N 308.382 -0.011 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)c2cc(CC)[nH]n2)C1 1207383258 FYDZSRGMBZVAGU-ZDUSSCGKSA-N 317.393 -0.084 30 20 DBED C[C@](O)(CC(=O)N1CCC[C@H](NCC(=O)NCC#N)C1)C1CC1 1207821574 YOUCFMPUHOTRKA-BBRMVZONSA-N 322.409 -0.242 30 20 DBED C#CCOCCC(=O)N1CCC[C@H](NCCN2CCNC2=O)C1 1208025320 LNKYZQAMDAHNIT-AWEZNQCLSA-N 322.409 -0.368 30 20 DBED COCC#CCN[C@@H]1CCCN(C(=O)[C@H]2CCCC(=O)N2)C1 1208387141 NZYXFVAGLUAYOG-ZIAGYGMSSA-N 307.394 -0.115 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)Cc2ccc[nH]2)C1 1211187442 KINANNOJXOHCHT-AWEZNQCLSA-N 302.378 -0.113 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)c2cc(C)no2)[C@H](OC)C1 1211845528 YMTOTKNVOQFJRO-DGCLKSJQSA-N 322.365 -0.286 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C[C@@H](O)COC)C[C@H]1OC 1212031983 DNUZUNLYMDTAAU-JHJVBQTASA-N 302.371 -0.988 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)C2CC(C)(C)C2)[C@H](OC)C1 1212203468 OOFSHSHKKKSPDP-ZIAGYGMSSA-N 321.421 -0.013 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](NCc2cnn(C)c2)[C@H](C)C1 1214471996 HARNQDCGOYVTRG-TZMCWYRMSA-N 317.393 -0.504 30 20 DBED C=CCCN[C@@H]1CN(C(=O)[C@H](C)NS(C)(=O)=O)C[C@H]1C 1215684865 GNWRZIYNALUUID-GRYCIOLGSA-N 303.428 -0.063 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCO[C@@H]2CN(Cc3cnon3)C[C@@H]21 1217762305 BVLSSSGFQFMLMY-GUTXKFCHSA-N 322.365 -0.192 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2cc(C)on2)C1 1219155479 IJOVOMBAMPYFEL-NEPJUHHUSA-N 308.338 -0.940 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CN(Cc2nn(C)cc2Cl)C[C@@H]1O 1219381453 SDESSSANYCPKFG-FXAINCCUSA-N 311.773 -0.106 30 20 DBED C#CCCCCC(=O)N[C@@H]1CN(Cc2n[nH]c(C)n2)C[C@@H]1O 1219490601 PIIPKSHYCZUNKI-OLZOCXBDSA-N 305.382 -0.032 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)CS(=O)(=O)CCCCC)C1 1220746740 LTOOUHRGGSIWKT-OLZOCXBDSA-N 318.439 -0.061 30 20 DBED CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCC#N)N(C)C 1227056712 JITPXKDIVQDJAE-MGPQQGTHSA-N 323.441 -0.017 30 20 DBED C#CCCN1CCC(NC(=O)[C@H](CCC(N)=O)NC(C)=O)CC1 1229625799 MGKQTFDHXPAMNZ-AWEZNQCLSA-N 322.409 -0.640 30 20 DBED C#CCCN[C@@H]1CCCC[C@H]1NC(=O)CN1C(=O)CNC1=O 1230077361 GYHXKSVBHYHHSS-VXGBXAGGSA-N 306.366 -0.422 30 20 DBED N#CCN1CCS(=O)(=O)[C@@H](CCNC(=O)CCCF)C1 1230480772 IJSAHVDYYMSTAG-NSHDSACASA-N 305.375 -0.135 30 20 DBED CN(C[C@@H]1CCN1CC(=O)NCC#N)C(=O)Cc1ccn(C)n1 1234162144 OYDBFIVVCJPYEM-ZDUSSCGKSA-N 318.381 -0.865 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C[C@H]1CCN1Cc1cn(C)nn1 1234266761 UDGCFSCECDEBSH-GXTWGEPZSA-N 305.382 -0.114 30 20 DBED N#CCN1CCC(NC(=O)C(=O)N2C[C@H]3CC[C@H]2[C@@H](O)C3)CC1 1262123036 ZDYSEHMSCQGTGL-UBHSHLNASA-N 320.393 -0.538 30 20 DBED CN1CCC[C@@H]1C(=O)N1CCC[C@@H](C(=O)NCCNCC#N)C1 1265879830 WIVKAHRLARKFGX-ZIAGYGMSSA-N 321.425 -0.451 30 20 DBED C[C@](O)(CNC(=O)C(=O)Nc1cnn(CC#N)c1)c1ccco1 1322804094 JRHUZIDESNXIBX-AWEZNQCLSA-N 317.305 -0.038 30 20 DBED CCC[C@@H](O)CNC(=O)NCCN/C(O)=C1/N=CC=CC1=O 1322883544 WJYZYMRRQOLGBR-JBEXSADBSA-N 310.354 -0.027 30 20 DBED CC(C)[C@@](C)(NC(=O)CCN/C(O)=C1/N=CC=CC1=O)C(N)=O 1324301394 ZUUKJGIYGSTGOP-WIDZWVOGSA-N 322.365 -0.081 30 20 DBED C=CC[C@@H](CO)CNC(=O)C1(S(C)(=O)=O)CCOCC1 1324994170 DWNAGNSAXFTXDI-LLVKDONJSA-N 305.396 -0.119 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)C(=O)NCCc2ccncc2)C1 1326066349 YSZVXIJZRORFOC-OAHLLOKOSA-N 302.334 -0.383 30 20 DBED N#CC[C@H]1CCCN(C(=O)C(=O)NCC(=O)N2CCOCC2)C1 1328036943 JDLUVMFCVWONOO-GFCCVEGCSA-N 322.365 -0.886 30 20 DBED CN(C)[C@H]1[C@@H]2CN(C(=O)CCN/C(O)=C3/N=CC=CC3=O)C[C@@H]21 1329018859 KVJZRVYZFOYEIK-LKJSZTRYSA-N 318.377 -0.079 30 20 DBED C=C[C@H](O)C(=O)N1CCN(c2nnc(C)c(C)c2C(N)=O)CC1 1333946309 USYNILCQVHIZLM-NSHDSACASA-N 319.365 -0.612 30 20 DBED COc1ccc(C=NNC2=NC[C@@H](C)N2)cc1OCC(N)=O 1337428935 JLNRHCVMDFBXLV-SECBINFHSA-N 305.338 -0.170 30 20 DBED CNCCCc1[nH]nc(NC(=O)[C@H]2CCNC(=O)C2)c1C#N 1341227625 NGYLXXXJMBLONN-VIFPVBQESA-N 304.354 -0.102 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N1CC[C@@H](C2OCCO2)C1 1351528895 IQWANIZMRSVMNF-OLZOCXBDSA-N 324.377 -0.248 30 20 DBED C#CCOCCn1nnnc1N1CCS(=O)(=O)C[C@H](C)C1 1355799562 FSWVIMQTYQIKQL-LLVKDONJSA-N 313.383 -0.806 30 20 DBED N#Cc1c[nH]ccc1=NC(=O)c1cn(C[C@H]2CNC(=O)O2)nn1 1361352152 SNTXWQVGSBIIGR-SECBINFHSA-N 313.277 -0.673 30 20 DBED C[C@H]1CCC[C@]1(O)CNC(=O)Cn1cc(C#N)c(O)nc1=O 1362498341 VKRRQJQNKFQUDR-XPTSAGLGSA-N 306.322 -0.512 30 20 DBED N#CCOc1ccccc1C(=O)NC[C@H](O)Cn1ccnn1 1362817351 ICPSDTSEZNFMLT-NSHDSACASA-N 301.306 -0.029 30 20 DBED Cn1c(=O)[nH]c(N2CC[C@H](N3CCCC3=O)C2)c(C#N)c1=O 1364171349 PFQJXJKEOCPXFT-VIFPVBQESA-N 303.322 -0.854 30 20 DBED N#Cc1cncn(CC(=O)N2CCC3(CC2)OCCO3)c1=O 1364290472 ZSDVSFOTQPBJSI-UHFFFAOYSA-N 304.306 -0.520 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)CCCC(=O)N(C)C)[C@H]2C1 1372719889 FMNMEOBRKNUUEH-UUIJZJDISA-N 320.393 -0.022 30 20 DBED CN(CCNC(=O)[C@@H]1CCC(=O)N1)C(=O)c1ccc(C#N)[nH]1 1373593221 SZEYEBMUMXJMQH-JTQLQIEISA-N 303.322 -0.647 30 20 DBED Cn1cc(C(=O)NC[C@@H](O)CNCc2ccccc2C#N)nn1 1379195598 CMBCBCZTGZJDIC-ZDUSSCGKSA-N 314.349 -0.433 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CCCN1C(=O)c1cnn(C)c1N 1387394743 YCAUOJSOTQLTMG-VHSXEESVSA-N 304.354 -0.117 30 20 DBED C[C@H](C#N)C(=O)N1CCN(CCNC(=O)Cc2cc[nH]n2)CC1 1396875113 CDBWXDVMJJJTLO-GFCCVEGCSA-N 318.381 -0.628 30 20 DBED C[C@@H](CNC(=O)[C@H](C)n1cncn1)NC(=O)c1cc(C#N)c[nH]1 1397412755 GKIKDGYVVZWTII-UWVGGRQHSA-N 315.337 -0.026 30 20 DBED C[C@@H](C#N)C(=O)N(CCNC(=O)[C@@H]1CCCN1C(N)=O)C1CC1 1398356180 ZXENCKALWGCTEK-JQWIXIFHSA-N 321.381 -0.204 30 20 DBED COc1nccc(C(=O)N2CC(CNC(=O)[C@H](C)C#N)C2)n1 1398809348 CISPLTRTBDTYNC-SECBINFHSA-N 303.322 -0.167 30 20 DBED CCS(=O)(=O)CC(=O)N(C)C1CC(NC(=O)[C@H](C)C#N)C1 1405834661 UOVVBHTVSJHHKQ-KPPDAEKUSA-N 315.395 -0.314 30 20 DBED CC[C@]1(O)CCCN(C(=O)CCn2cc(C#N)c(O)nc2=O)C1 1412440165 DDACUQQOOKEFBL-HNNXBMFYSA-N 320.349 -0.026 30 20 DBED Cc1c(C#N)c(=O)n(CC(=O)Nc2cnccn2)c(=O)n1C 1412926852 OBYDTFJOESXEMA-UHFFFAOYSA-N 300.278 -0.844 30 20 DBED CC[C@H]1CC[C@@H](C(=O)NCCn2cc(C#N)c(O)nc2=O)O1 1418535859 DKKDOQYBOUKGBB-QWRGUYRKSA-N 306.322 -0.106 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@@H](O)CNCc2csnn2)c1 1422282014 FFLNBRCRPVIZDG-JTQLQIEISA-N 306.351 -0.382 30 20 DBED C=C(Cl)CNC[C@H](O)CNC(=O)CCN1CCCC1=O 1422404659 FUSPLPXADXNHGR-NSHDSACASA-N 303.790 -0.182 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](C)CNC(=O)CCCS(C)(=O)=O 1432984948 YDGPAILIULVWKV-MNOVXSKESA-N 317.411 -0.161 30 20 DBED C=C(Cl)CNC[C@H](O)CN(C)C(=O)c1ccc(O)nn1 1449094808 RWLXLDRYUXWFQN-VIFPVBQESA-N 300.746 -0.043 30 20 DBED CCN(CCNC(=O)[C@@H](C)C#N)C(=O)[C@H](C)S(C)(=O)=O 1449509607 MXBXHUAGBJDGEG-UWVGGRQHSA-N 303.384 -0.456 30 20 DBED CC(=O)NCC(=O)NC1CC2(C1)CC(NC(=O)[C@@H](C)C#N)C2 1453522892 POLLXOUIAPRVBM-NCLPGTSESA-N 306.366 -0.174 30 20 DBED C[C@H](C#N)C(=O)NC1CN(C(=O)[C@H]2CCn3cncc3C2)C1 1456401412 YTZTUTRIOSWDFD-MNOVXSKESA-N 301.350 -0.068 30 20 DBED Cn1cc(C(=O)N2CCO[C@@H](C#N)C2)c(=O)c2cnn(C)c21 1464839174 FTTCCEWRQWCUQG-VIFPVBQESA-N 301.306 -0.363 30 20 DBED C=C(Cl)CN1CC(O)(CNC(=O)c2ccc(C(N)=O)nc2)C1 1484312562 CWMWZLFKUHWDTQ-UHFFFAOYSA-N 324.768 -0.291 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@@H](O)CNC(=O)c2cncs2)c1 1501440109 BTSYTSMZAOBDBH-SECBINFHSA-N 319.346 -0.136 30 20 DBED C=C(C)CN(C)c1nnc(CCN(C)S(N)(=O)=O)n1C 1519709043 DTMJWMSEZKSMLF-UHFFFAOYSA-N 302.404 -0.495 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(c2ncc(C(=O)O)cn2)C[C@H]1O 1573304043 XOSRITYYBHHSLN-VXGBXAGGSA-N 318.333 -0.356 30 20 DBED C=CCOC[C@H](NC(=O)[C@H](C)[C@H](C)S(C)(=O)=O)C(=O)O 1573369764 ZOFARIVJWATTJS-UTLUCORTSA-N 307.368 -0.172 30 20 DBED C[C@@H](CNC(=O)[C@H](C)OCc1cnn[nH]1)NC(=O)C#CC1CC1 1575880395 SWLUPZKQSPNKTB-QWRGUYRKSA-N 319.365 -0.256 30 20 DBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1C[C@@H](N)C1 1576253740 YWAINOHRURNLDV-ZMLRMANQSA-N 322.390 -0.169 30 20 DBED N#Cc1ncc(N2CCc3ncnc(O)c3C2)nc1-c1nn[nH]n1 1581883183 QUPMSRSKWYPTPX-UHFFFAOYSA-N 322.292 -0.413 30 20 DBED O=C(O)[C@H]1C[C@@H](O)CN1C(=O)C#Cc1ccc2c(c1)OCO2 1602219006 RFIKWKYDGYTCLL-GHMZBOCLSA-N 303.270 -0.187 30 20 DBED C#CC[C@H](NS(=O)(=O)C1(C(=O)OCC)CCC1)C(=O)O 1602698890 ZPLNKWYEQJYDBB-VIFPVBQESA-N 303.336 -0.132 30 20 DBED C[C@H]1C[C@H](CO)CN(c2cnc(C#N)c(-c3nn[nH]n3)n2)C1 1603850520 GYDASBMLSSBOOW-IUCAKERBSA-N 300.326 -0.017 30 20 DBED C#CCNC(=O)CNC[C@@H](C)N(C)C(=O)[C@@H]1CCCCN1C 1732434623 LWRFCOZWWRPYNA-KGLIPLIRSA-N 308.426 -0.343 30 20 DBED C=CCNC(=O)[C@H](C)N[C@H](C)CNC(=O)Cc1ccn(C)n1 1752872812 KPHDTXVOQWXOQV-NEPJUHHUSA-N 307.398 -0.252 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H](C)NCc1nnn(C)n1 1752903624 BBFYJYZGXVJZDQ-GVXVVHGQSA-N 308.386 -0.214 30 20 DBED C#CCN1CCC(C(=O)NC[C@@H](C)NCCn2cncn2)CC1 1752921550 TXDZIUXHHKBMCB-CQSZACIVSA-N 318.425 -0.282 30 20 DBED C=CCn1cc(C(=O)NCCN(CC)[C@H]2CCN(C)C2=O)nn1 1753091305 QEHYPMPZPULENV-ZDUSSCGKSA-N 320.397 -0.254 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@@H](C)N(C)C(=O)CCn1cncn1 1753679822 SHHZJNBYWFFRRL-CHWSQXEVSA-N 320.397 -0.757 30 20 DBED C#CCCNC[C@H](O)CNC(=O)c1ccc(-n2cncn2)nc1 1753922512 SRWMVTVXYWCFCI-ZDUSSCGKSA-N 314.349 -0.634 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)N(CC)CCN[C@@H]1CCNC1=O 1754070744 NKPHLHXURBUWHH-ZIAGYGMSSA-N 324.425 -0.216 30 20 DBED C#CCNC(=O)CNC[C@@H](C)NC(=O)c1cnn(C)c1C1CC1 1754256157 PSYPECHZHIYROX-LLVKDONJSA-N 317.393 -0.245 30 20 DBED C=CCNC(=O)CNCCCN(C)C(=O)c1cnnc(O)c1 1754377761 IZGQILVIWGSKLJ-UHFFFAOYSA-N 307.354 -0.464 30 20 DBED C#CCNC(=O)CN1C[C@H]2C[C@H]1[C@@H]2NC(=O)Cc1ccoc1 1754423987 NQJCVSXCPWJBGY-DVOMOZLQSA-N 301.346 -0.240 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC(N(C)C(=O)CCc2cnc[nH]2)C1 1754576577 QIXXGJGARRODJY-GFCCVEGCSA-N 317.393 -0.377 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@@H]1CCCN1C(=O)c1n[nH]cc1F 1754616643 KWNUSZUGJXHIGH-MNOVXSKESA-N 321.356 -0.119 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@@]1(O)CCN(CCO)C1 1754760062 QLLOGVANEWBXIU-ZFWWWQNUSA-N 313.398 -0.997 30 20 DBED C=C[C@](C)(CCOC)C(=O)NCC1(O)CN([C@@H](C)C(N)=O)C1 1754771009 IXIOCTXHGLLWJE-SMDDNHRTSA-N 313.398 -0.748 30 20 DBED C#CCNC[C@H]1CN(C(=O)CCn2ncn(C)c2=O)C[C@@H]1C 1754816288 CMHIRGJFSAGXKO-STQMWFEESA-N 305.382 -0.711 30 20 DBED Cc1nocc1C(=O)N1CCO[C@H](CNCC(=O)NCC#N)C1 1755007928 GLVVWFNAUBWEJV-LLVKDONJSA-N 321.337 -0.947 30 20 DBED CC1(NCC(=O)NCC#N)CCN(C(=O)[C@@H]2[C@H]3COC[C@H]32)CC1 1755131761 QGMOKHRPXUWKHG-IMRBUKKESA-N 320.393 -0.511 30 20 DBED C=CCCN1CC(CCO)(NC(=O)CN2C(=O)CCC2=O)C1 1755338149 JULPELWDYKACSD-UHFFFAOYSA-N 309.366 -0.736 30 20 DBED C=CCN1CC([C@H](C)NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 1755387277 GLCBKSKXFQFNSY-JTQLQIEISA-N 316.365 -0.306 30 20 DBED C=CCNC(=O)CN[C@@H](C)CN(C)C(=O)[C@]1(C)CCNC(=O)C1 1755592867 MSKPHTPMISQOMM-BLLLJJGKSA-N 324.425 -0.359 30 20 DBED CN(C[C@@H](O)CNCC#N)C(=O)c1ccc2c(O)ncnc2c1 1755795774 JRGJDBGUORZQFQ-NSHDSACASA-N 315.333 -0.119 30 20 DBED C#CCN(C)C[C@H](O)CN(C)C(=O)[C@@H]1CCCN(C(C)=O)C1 1755802933 JGIFNTNQHVXNBO-CABCVRRESA-N 309.410 -0.371 30 20 DBED C=CCOCC(=O)N[C@@H]1CCCN(C(=O)Cn2ncnn2)[C@@H]1C 1756621698 KMBPCPZQTLVANM-VXGBXAGGSA-N 322.369 -0.629 30 20 DBED Cn1nnc(C(=O)NC[C@@H](NC(=O)C#CC2CC2)C(C)(C)C)n1 1756711034 QCKHRLKNRLPWBX-LLVKDONJSA-N 318.381 -0.116 30 20 DBED COC1(CO)CCN(C(=O)NCCn2cnc(C#N)n2)CC1 1771762738 FGWDECSJOBMKOX-UHFFFAOYSA-N 308.342 -0.667 30 20 DBED C[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)C#N 1792636238 KVKZQDHRXWIIET-WISYIIOYSA-N 309.366 -0.493 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1snnc1C 1796594729 JDXHNHAFHNRJJS-PEGIJTEDSA-N 320.374 -0.317 30 20 DBED O=C(O)C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C(=O)C1CC1)C2 1801986402 AUNFOBIARGHPDP-ZSBIGDGJSA-N 318.329 -0.308 30 20 DBED N#CCCC(=O)N1CCC2(CCCN(C(=O)C(O)O)C2)CC1 1805277581 PQABSADAWQTUJZ-UHFFFAOYSA-N 309.366 -0.168 30 20 DBED N#CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)C(O)O)[nH]n1 1816739340 IZOLMOHBSYJAPU-SECBINFHSA-N 307.310 -0.374 30 20 DBED CC(=O)NCC(=O)N1CC2(CCCN2C(=O)C#CC2CC2)C1 1841542126 QCLGSRCTYNCJRQ-UHFFFAOYSA-N 303.362 -0.261 30 20 DBED N#Cc1ccccc1S(=O)(=O)NCC(=O)N1CCOCC1 74784662 SHTOVRYEARNSQB-UHFFFAOYSA-N 309.347 -0.305 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)C2(N(C)C)CCC2)CC1 119406784 JJDPRDBTYFTWRT-UHFFFAOYSA-N 320.437 -0.246 30 20 DBED CN(CCC#N)C(=O)CCN1CCC[C@H](NS(C)(=O)=O)C1 131411614 RVOZZSBQESZCHQ-LBPRGKRZSA-N 316.427 -0.238 30 20 DBED C=CCNC(=O)CNC(=O)Cn1nnc(-c2ccccc2)n1 181654527 QWQPXGOQUWLPQH-UHFFFAOYSA-N 300.322 -0.242 30 20 DBED C=CCN(CC(=O)NC[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 246453121 FADQPRDLWMCGPJ-QWHCGFSZSA-N 316.423 -0.043 30 20 DBED N#Cc1ccc(CNC(=O)NCCN2C(=O)CNC2=O)cc1 265080986 QHZSOYLYDAMTKZ-UHFFFAOYSA-N 301.306 -0.091 30 20 DBED C=CCNC(=O)CNC(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 271986835 OXNMMAQWIIRSCA-DUBDDPSESA-N 317.345 -0.788 30 20 DBED COC[C@@H](C/N=C(\N)N1CCN(c2ncccn2)CC1)OC 272586472 BSFKNHJZKQNXNN-GFCCVEGCSA-N 308.386 -0.425 30 20 DBED Cc1cccc(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)O)c1C#N 274886292 DYNVTTQVUCIJDM-VIFPVBQESA-N 311.319 -0.526 30 20 DBED CCN1CCN(C(=O)C(=O)NCc2cccc(C#N)c2)CC1=O 284179947 ZJZABRWKRIVKOF-UHFFFAOYSA-N 314.345 -0.135 30 20 DBED C#CCNc1nc(NC[C@H](C)CO)nc(NC[C@H](C)CO)n1 286250809 IUWLELQDXDBVCE-QWRGUYRKSA-N 308.386 -0.003 30 20 DBED O=C(C/N=C(/O)[C@H]1CCCCS1(=O)=O)N1CCOCC1 329662958 JGXLFXWNJKKGNY-SNVBAGLBSA-N 304.368 -0.231 30 20 DBED CN(CCN1CCOCC1)/C(O)=N/[C@H]1CCCS(=O)(=O)C1 329768749 DWOHFVJDCCGOCH-LBPRGKRZSA-N 319.427 -0.258 30 20 DBED N#CCN1CCC(CNC(=O)CN2CCCS2(=O)=O)CC1 330924722 FWQFJUXRARAGMX-UHFFFAOYSA-N 314.411 -0.626 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H]1CC(=O)N(C2CC2)C1 331806460 WPDFIKKYOGZDHQ-NXEZZACHSA-N 300.384 -0.324 30 20 DBED COC(=O)[C@]1(C)CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)C1 336954334 XNQVRXCQSBYECX-ZYHUDNBSSA-N 317.367 -0.659 30 20 DBED CCOC(=O)[C@@H](CO)NS(=O)(=O)N(CC)C[C@H](C)C#N 336955194 YGBADDMNVPKXIE-NXEZZACHSA-N 307.372 -0.774 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1CC[C@@H](CO)[C@H]1C 337150489 IVSPVVGQTCLZRP-NEPJUHHUSA-N 305.400 -0.204 30 20 DBED C=CCN(CC(=O)N1CCNC1=O)[C@@H]1CCS(=O)(=O)C1 343063915 HRVNPKRUJXBAPX-SNVBAGLBSA-N 301.368 -0.787 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N[C@H]1CCn2ccnc2C1 346973134 IHUSZNOSCQMIRK-LBPRGKRZSA-N 306.366 -0.025 30 20 DBED CC(C)(C)C(=O)N1CCN(C(=O)NCC(=O)NCC#N)CC1 358270378 FHRGJBPKHMVBDD-UHFFFAOYSA-N 309.370 -0.474 30 20 DBED C=CCOC[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)OC 360622327 XCVIANTXBWVVBH-JTQLQIEISA-N 303.340 -0.557 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N[C@]1(C)CCS(=O)(=O)C1 407951910 DOQPRBFYRAFDFO-NXEZZACHSA-N 309.413 -0.511 30 20 DBED CS(=O)(=O)NC[C@H]1CCCCN1C(=O)[C@@H](N)CCCC#N 424087522 ICHSZRPJTDGFOI-NEPJUHHUSA-N 316.427 -0.062 30 20 DBED N#Cc1ccc2c(c1)N(C(=O)C(=O)NCCOCC(N)=O)CC2 433646371 SPHNUOBZZJCUJA-UHFFFAOYSA-N 316.317 -0.935 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)CC2OCCCO2)CC1 491099717 COJWTCFOYZRTJK-UHFFFAOYSA-N 309.366 -0.967 30 20 DBED C#CCNC(=O)CCN1CCC[C@@H](N2CCCS2(=O)=O)C1 491165476 LGBSWMFZTXDJHL-CYBMUJFWSA-N 313.423 -0.374 30 20 DBED N#CCNC(=O)CN1CCCC[C@@H]1COC(=O)N[C@@H]1CCOC1 495812327 ASFPEOHTUXNSBJ-CHWSQXEVSA-N 324.381 -0.004 30 20 DBED Cc1nc(NC(=O)C(=O)N2CCN(C)C(=O)C2)ccc1C#N 566355240 ZKHCMXXDIJJIPG-UHFFFAOYSA-N 301.306 -0.499 30 20 DBED Cc1cc(N[C@@H]2CNC(=O)C2)c(C#N)c(N[C@@H]2CNC(=O)C2)n1 596185648 ZHEJAPBENNJVQW-UWVGGRQHSA-N 314.349 -0.138 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NC[C@H]1COCCN1 627290667 XILPDXJSEIRLNN-AGIUHOORSA-N 311.382 -0.812 30 20 DBED C#CCCCOC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 727040733 GVRDQYHMGPPZPO-NWDGAFQWSA-N 313.375 -0.021 30 20 DBED CCS(=O)(=O)N1CCC[C@H](C(=O)[C@@H](C#N)C(=O)NC)C1 729070044 KGGMOABMUMQWEE-VHSXEESVSA-N 301.368 -0.497 30 20 DBED Cc1ccc(C(=O)OCC(=O)NCC#N)cc1S(N)(=O)=O 731236968 VHFSIUIRVCNJDO-UHFFFAOYSA-N 311.319 -0.561 30 20 DBED C#C[C@@H](C)OC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 744181392 OSHJPSWIOYGZFZ-SECBINFHSA-N 304.306 -0.611 30 20 DBED C#C[C@H](NC(=O)N(C)[C@H]1CCS(=O)(=O)C1)[C@@H]1CCCO1 776224492 LCESBRUVRNWUAY-SRVKXCTJSA-N 300.380 -0.004 30 20 DBED C#CCN1CCC(C(=O)OCC(=O)N(C)CC(=O)OCC)CC1 783653836 GYDGXNSQSBJXPZ-UHFFFAOYSA-N 324.377 -0.104 30 20 DBED Cn1ncc(C(=O)NS(=O)(=O)Cc2cccc(C#N)c2)n1 793136779 ATYUSCSKCZBYKU-UHFFFAOYSA-N 305.319 -0.053 30 20 DBED N#C[C@H]1CN(S(=O)(=O)NCc2cccc(F)n2)CCO1 800085991 IZSQAKSZZLTTHC-JTQLQIEISA-N 300.315 -0.221 30 20 DBED Cn1cnn(CCC(=O)NCCNc2ncccc2C#N)c1=O 815105101 CQZMHNSSGZQYGM-UHFFFAOYSA-N 315.337 -0.533 30 20 DBED C=CCS(=O)(=O)CCNC(=O)c1nc2ncc(C)cn2n1 831990982 CKWRKSGVICHFBF-UHFFFAOYSA-N 309.351 -0.237 30 20 DBED C[C@@H]1CN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C[C@H]1N 842510461 QNZDWNYEGWUOMC-MWLCHTKSSA-N 322.390 -0.469 30 20 DBED C=CCn1cc(C(=O)NS(=O)(=O)c2cn(C)c(C)n2)nn1 842818473 KHUYUMGMQWTBEX-UHFFFAOYSA-N 310.339 -0.375 30 20 DBED C=CCN(CC=C)C(=O)[C@H](C)OC(=O)[C@@H]1CCS(=O)(=O)N1 845368012 LDJOBQPXBQATJR-QWRGUYRKSA-N 316.379 -0.190 30 20 DBED C#CCNS(=O)(=O)N1CCN(c2ccc(C#N)cn2)CC1 872631976 PIJDKGZXXYBTAX-UHFFFAOYSA-N 305.363 -0.457 30 20 DBED C#CCN1CCC[C@@H](NS(=O)(=O)[C@H](C)C(=O)N(C)C)C1 885512200 UAZFKYXKTXEYFK-VXGBXAGGSA-N 301.412 -0.520 30 20 DBED C#CCSCC(=O)OCCNS(=O)(=O)c1cnn(C)c1 885898560 NRJSRUCLDIAOCG-UHFFFAOYSA-N 317.392 -0.392 30 20 DBED C#CCN1CCC[C@@H](NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 905461775 RZNCEPJGRBEPKP-TZMCWYRMSA-N 307.354 -0.161 30 20 DBED CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCC[C@@H](C#N)C1 921359951 SQUHUYFQVFGMLH-NSHDSACASA-N 323.440 -0.167 30 20 DBED CS(=O)(=O)CC(=O)N1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 937850808 GKARLJYVADJGBR-JTQLQIEISA-N 324.362 -0.738 30 20 DBED N#Cc1cc(C(=O)N2CC[C@H](NC(=O)[C@@H]3CCC(=O)N3)C2)c[nH]1 938374921 QDXGDUJZTSOHLF-JQWIXIFHSA-N 315.333 -0.504 30 20 DBED Cc1ncn(C)c1C(=O)NC[C@H]1CN(C(=O)[C@@H](C)C#N)CCO1 944635260 MTQYCDYEEUVMGG-JQWIXIFHSA-N 319.365 -0.155 30 20 DBED C#CCCN1CC[C@H](NC(=O)Cn2ncn(C)c2=O)C[C@H]1C 947464980 YHSGAMKERMMOAL-OLZOCXBDSA-N 305.382 -0.426 30 20 DBED C#Cc1cncc(C(=O)N2C[C@H]3C[C@H]2[C@H]3NC(=O)c2cnn[nH]2)c1 947494090 YKYDARBVXNGMPC-XBFCOCLRSA-N 322.328 -0.176 30 20 DBED C=CCCn1cc(C(=O)N2CCC[C@@H](NC(=O)C(N)=O)C2)nn1 950950969 WIZXNSCXBPMZSD-SNVBAGLBSA-N 320.353 -0.940 30 20 DBED COc1nccc(C(=O)NC[C@@H]2CCN2C(=O)[C@@H](C)C#N)n1 951330971 KKNZIUQIOSKOOP-UWVGGRQHSA-N 303.322 -0.024 30 20 DBED C[C@H](C#N)C(=O)N1CC(N(C)C(=O)[C@H]2CCc3nn[nH]c3C2)C1 954831165 IMQHUMZGQHUXEP-ZJUUUORDSA-N 316.365 -0.262 30 20 DBED C#Cc1cncc(C(=O)N2CC[C@@H](NC(=O)C(N)=O)C[C@H]2C)c1 955813447 CHPKIYSPEWEVAC-ZWNOBZJWSA-N 314.345 -0.343 30 20 DBED C=C(C)CCN1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)CC1 957688252 KFVKJIDLUVJTDI-LBPRGKRZSA-N 301.412 -0.212 30 20 DBED Cc1cc(=O)oc(C)c1C(=O)NC[C@@H]1CN(CC#N)C[C@H]1O 958242986 GSXGZOVZHXKULK-VXGBXAGGSA-N 305.334 -0.197 30 20 DBED N#CCN1C[C@H](CNC(=O)c2ccc3oc(O)nc3n2)[C@@H](O)C1 958582005 WODGAQUUOIATME-WPRPVWTQSA-N 317.305 -0.526 30 20 DBED Cn1nncc1CN1C[C@@H]2C(NC(=O)c3c[nH]c(C#N)c3)[C@H]2C1 958618752 VUMDKVDPUPTBQJ-STQMWFEESA-N 311.349 -0.125 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cc(N(C)C)ccn2)C1 958740601 RNPKXIDRFGRRNJ-SWLSCSKDSA-N 302.378 -0.197 30 20 DBED COCc1ncc(C(=O)NC[C@@H]2CN(CC#N)C[C@H]2O)s1 958744359 LRTIUFHWYNREES-NXEZZACHSA-N 310.379 -0.164 30 20 DBED Cc1[nH]nc(C(=O)N(C)[C@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)c1O 958824615 CGVSWLQEVGAEEN-HGNGGELXSA-N 321.337 -0.773 30 20 DBED N#Cc1c[nH]c(C(=O)N2C[C@H](O)[C@H](NC(=O)c3cn[nH]c3)C2)c1 961699199 CWJNVVPXSGNGCO-NEPJUHHUSA-N 314.305 -0.775 30 20 DBED C#CCN1C[C@@H]2C(NC(=O)C3(N4CCOCC4)CCC3)[C@H]2C1 962162747 ISFRKAWVNGMLAZ-KBPBESRZSA-N 303.406 -0.079 30 20 DBED Cc1c(C(=O)NC[C@@H]2COCCN2C(=O)[C@@H](C)C#N)cnn1C 964103006 MCVZDIRJJUNDFX-CMPLNLGQSA-N 319.365 -0.155 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CN(C(=O)c3cnn(C)c3)CCO2)C1 965301340 DPRYNZCDSSSQFZ-NSHDSACASA-N 317.349 -0.367 30 20 DBED Cn1cc(OCC(=O)N2CC[C@]3(CN(CC#N)CCO3)C2)cn1 972524020 NLUOIMPNUNPUOR-HNNXBMFYSA-N 319.365 -0.374 30 20 DBED C#CCCN1C[C@@H]2C(CNC(=O)[C@H]3CCCS3(=O)=O)[C@H]2C1 979069927 FNSFNPATGUFCOP-MGPQQGTHSA-N 310.419 -0.119 30 20 DBED Cc1nn(CC(=O)N[C@H]2CCC[C@@H](NCC#N)C2)c(=O)n1C 981488213 VCSNZVUCZSQGQQ-NEPJUHHUSA-N 306.370 -0.569 30 20 DBED C=CCN1CCN(C(=O)N2CCN(C(=O)COC)CC2)CC1 985827497 YTULYFJTDBHTBN-UHFFFAOYSA-N 310.398 -0.299 30 20 DBED C[C@@H]1[C@@H](NCC(=O)N2CCOCC2)CCN1C(=O)C#CC1CC1 986278089 KIEIOPZTFCXSHF-HIFRSBDPSA-N 319.405 -0.162 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CCCO2)C1 994751003 KVDONABFJULMCN-KBPBESRZSA-N 305.378 -0.410 30 20 DBED C=C(Cl)CNC1CCN(C(=O)CN2CC(=O)NC2=O)CC1 997105474 FBKCFODUJODYQX-UHFFFAOYSA-N 314.773 -0.129 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)Cn3nccn3)C2)cc1 997334405 KHSIWIXNENRSTI-UHFFFAOYSA-N 309.329 -0.100 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(CNC(=O)[C@@H]2COC(=O)N2)C1 1001686598 RJCLIEHUAXLFDP-WOPDTQHZSA-N 323.349 -0.740 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C(=O)c2c[nH]c(C(N)=O)c2)CC1 1011165122 ULOPEWYINRCUTL-SECBINFHSA-N 303.322 -0.442 30 20 DBED C[C@@H]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)CN1C(=O)CC(N)=O 1012408201 OLNGRLIUFRJJEI-KCJUWKMLSA-N 303.322 -0.519 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(CCN2CCNC2=O)C1 1015726334 LYTXIVMIMJQUIQ-MJBXVCDLSA-N 322.409 -0.207 30 20 DBED C#CCN1CCC2(CC1)C[C@@H]2NC(=O)c1nnc(O)nc1O 1016708561 HJABLCVKUVJSIH-VIFPVBQESA-N 303.322 -0.500 30 20 DBED O=C(N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O)C1CCC(O)CC1 1023548462 DFDDEBTWFUANGF-NEXFUWMNSA-N 320.389 -0.361 30 20 DBED C#CCN1CCC[C@H]1CNC(=O)C1CC2(C1)NC(=O)NC2=O 1028196052 BBKBMJAKRHKBGL-VTWZXRTESA-N 304.350 -0.812 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCC1CN(CCn2cncn2)C1 1031989048 WAABJGGAGXMWDK-KGLIPLIRSA-N 305.382 -0.083 30 20 DBED CN(C)c1ccc(C(=O)NC[C@H]2CN(CC#N)CCO2)nn1 1035581459 IYGWNCZEWNEXLI-NSHDSACASA-N 304.354 -0.503 30 20 DBED C[C@@H]1CN(C(=O)C(N)=O)CC[C@@H]1CN=c1cc[nH]cc1C#N 1040439562 AAAGSFZHLIPZEE-GHMZBOCLSA-N 301.350 -0.243 30 20 DBED Cc1ncc(C(=O)N2CC[C@@](O)(CNC(=O)[C@H](C)C#N)C2)n1C 1040768658 DPUCFRSFXXFQHL-MEBBXXQBSA-N 319.365 -0.419 30 20 DBED C=CCCCC(=O)N1CC(O)(CNC(=O)COCCOC)C1 1042129609 DRKFGJHVLUFUOO-UHFFFAOYSA-N 314.382 -0.305 30 20 DBED C#CCCCCC(=O)NCC1(O)CN(C(=O)c2cn[nH]c2)C1 1042659080 YXFDJKVEFBOGQX-UHFFFAOYSA-N 304.350 -0.094 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(O)CN(C(=O)c2ccn(C)n2)C1 1042810859 DHLYRQODAZWMAX-AWEZNQCLSA-N 322.365 -0.950 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CC2(F)F)C1 1043033235 UWEPILOREPCETB-JTQLQIEISA-N 316.304 -0.629 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)[C@@H](F)C(F)(F)F)C1 1043377852 VOSZTXCUKHGFFI-RNFRBKRXSA-N 311.235 -0.264 30 20 DBED C=CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)C(C)(F)F)C1 1043568015 IMYSCFVMTCDBMH-VIFPVBQESA-N 306.309 -0.078 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)[C@@H](CC)NC(C)=O)C1 1047080405 MEHWJOORNYGVOK-CYBMUJFWSA-N 323.393 -0.606 30 20 DBED N#CCSCC(=O)N1CC(O)(CNC(=O)c2ccnnc2)C1 1047122493 XLWABXYSAZWWAS-UHFFFAOYSA-N 321.362 -0.964 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2cn3cccnc3n2)C1 1047441669 LWAURVVPSDQLGU-KBPBESRZSA-N 313.361 -0.130 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CCCS2(=O)=O)C1 1047471267 INNAKKHXYRPQLO-AVGNSLFASA-N 316.423 -0.357 30 20 DBED C=C(C)CN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3nn[nH]c3C2)C1 1047597420 OYOMZYNESMVIRN-CQDKDKBSSA-N 319.409 -0.011 30 20 DBED C=CCCN1CCOC[C@@H]1CNC(=O)c1nnc(O)nc1O 1051006102 JUZLBQRWLAAVGG-VIFPVBQESA-N 309.326 -0.711 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@@H]1C 1053172286 UUAFUDVPPBDFEQ-WDEREUQCSA-N 322.369 -0.763 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)[C@@]1(CC)CCNC1=O)CCO2 1053291942 OAXAXRRQTYKXKE-KRWDZBQOSA-N 319.405 -0.161 30 20 DBED C=CCN1CC2(C1)CN(C(=O)C[C@@H]1CC(=O)NC1=O)CCO2 1053552076 LJVHLYRNSQGUFT-NSHDSACASA-N 307.350 -0.862 30 20 DBED CC#CCN1CC2(CC[C@@H](CNC(=O)[C@@H]3CN(C)CCO3)O2)C1 1053586890 YYQQXDTZTMGASV-GJZGRUSLSA-N 321.421 -0.310 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)c3cc(C(N)=O)co3)CO2)C1 1053921691 LQJQPNXKIHVACQ-NSHDSACASA-N 303.318 -0.415 30 20 DBED C=C(C)CN1CC2(C[C@@H](NC(=O)CN3C(=O)CNC3=O)CO2)C1 1054002617 CLMVOSBUXOBVDI-LLVKDONJSA-N 322.365 -0.926 30 20 DBED C#CCN1CC[C@]2(CCCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)C1 1054196772 MVIAMWNMVXXZPF-JJRVBVJISA-N 319.405 -0.033 30 20 DBED C=CC(C)(C)C(=O)NCCN1CCC(NC(=O)CC(N)=O)CC1 1055607727 AYOKMZZVBOXIJQ-UHFFFAOYSA-N 324.425 -0.229 30 20 DBED N#Cc1ccc(N2CCN(C(=O)CN3CCCC3=O)CC2)nn1 1055724588 FXILZMFGDLRKLY-UHFFFAOYSA-N 314.349 -0.381 30 20 DBED COCC(=O)N1CCC[C@](CO)(NC(=O)CSCC#N)C1 1055784569 WOPGFCWPLSHVPO-ZDUSSCGKSA-N 315.395 -0.641 30 20 DBED O=C(N[C@]1(CO)CCCN(C(=O)C#CC2CC2)C1)c1cnon1 1056070296 ISJVINQOOACYNH-OAHLLOKOSA-N 318.333 -0.434 30 20 DBED CN1CCC[C@@H]1C(=O)NC1[C@@H]2CN(c3ccnc(C#N)n3)C[C@@H]12 1056148373 BNTQODPSDZBXTF-IJLUTSLNSA-N 312.377 -0.007 30 20 DBED Cn1ccc(C(=O)N[C@H]2[C@@H]3CN(c4ccc(C#N)nn4)C[C@@H]32)n1 1056225082 JFWGNSIHETWPFN-YABSGUDNSA-N 309.333 -0.054 30 20 DBED C=CCO[C@H](C)C(=O)N1CCC[C@H]2[C@@H]1CCN2C(=O)C(N)=O 1056449617 NWSMZWHTCCMYFS-WOPDTQHZSA-N 309.366 -0.345 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)c1cn(C)ccc1=O 1057167106 BHEWQKUCNDAQKD-UHFFFAOYSA-N 321.377 -0.098 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)[C@@H]1CO[C@@H](C)C1 1057198090 ODOMRPNEBINPDU-STQMWFEESA-N 314.382 -0.449 30 20 DBED CCOCC(=O)NCCN(CCO)C(=O)c1c[nH]c(C#N)c1 1057392026 XDBAWUZNQLZXGR-UHFFFAOYSA-N 308.338 -0.526 30 20 DBED CC(C)[C@@H](O)C(=O)N(CCO)CCNC(=O)c1c[nH]c(C#N)c1 1057486150 YTMAJPALBSXTMT-CYBMUJFWSA-N 322.365 -0.546 30 20 DBED CCn1nncc1C(=O)N(CCO)CCNC(=O)C#CC1CC1 1057505893 BGZIZXBLRGXHOU-UHFFFAOYSA-N 319.365 -0.738 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1CCCN(C(=O)[C@@H]2CCNC2=O)C1 1057724513 HXOOIELVMOINMM-QWHCGFSZSA-N 313.361 -0.086 30 20 DBED C[C@H](N=c1cc[nH]c(C#N)n1)[C@@H]1CCCCN1C(=O)C(N)=O 1058023719 LBEULNNCQNEDFJ-UWVGGRQHSA-N 302.338 -0.563 30 20 DBED N#Cc1ccc(N2CC[C@H](NC(=O)[C@@H]3CCCNC3=O)C2)nn1 1058467853 UUCMYNMUGQGHDR-NWDGAFQWSA-N 314.349 -0.431 30 20 DBED COc1cc(C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N)ccn1 1058663613 XWDZUKCIPOVRER-NSHDSACASA-N 320.349 -0.199 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)[C@@H]1CN(C)C[C@H]1C 1058846894 IIUOOOZABQSUCS-HUUCEWRRSA-N 323.437 -0.075 30 20 DBED N#Cc1ccc(C(=O)NCC[C@H]2CCN(C(=O)CC(N)=O)C2)[nH]1 1059379441 RGUIBVFJRPUDFO-JTQLQIEISA-N 317.349 -0.270 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](CCNC(=O)c2cnnn2C)C1 1060289124 JUDKILCSOMWFCF-MNOVXSKESA-N 304.354 -0.057 30 20 DBED C=CCOCC(=O)NC[C@H]1COCCN1C(=O)[C@@H](C)OC 1061420591 AMYXFKBRDRXIRI-NEPJUHHUSA-N 300.355 -0.433 30 20 DBED C#CCCCCC(=O)N1CCOC[C@@H]1CNC(=O)c1nc[nH]n1 1061766243 DHKMQGMDXDTCKI-LBPRGKRZSA-N 319.365 -0.045 30 20 DBED C=C1CC(C)(C(=O)NC[C@H]2COCCN2C(=O)CNC(N)=O)C1 1061885703 UNSAJRUUTXVHKF-NSHDSACASA-N 324.381 -0.645 30 20 DBED C#Cc1ccc(C(=O)NCC2(NC(=O)C(N)=O)CCC2)nc1 1063836052 DNIIONUNQSAPCW-UHFFFAOYSA-N 300.318 -0.683 30 20 DBED Cn1nccc1C(=O)N1CCO[C@@H](CNC(=O)C#CC2CC2)C1 1064944669 YIUPGISHKVXGGW-ZDUSSCGKSA-N 316.361 -0.209 30 20 DBED CCNC(=O)CCC(=O)N1CCO[C@H](CNC(=O)[C@H](C)C#N)C1 1064967343 GAHKSEMGEXQTPE-VXGBXAGGSA-N 324.381 -0.594 30 20 DBED CNC(=O)CCCC(=O)NC[C@@H]1CN(C(=O)[C@H](C)C#N)CCO1 1065557892 WTQAHMXLBSWSDP-VXGBXAGGSA-N 324.381 -0.594 30 20 DBED N#Cc1cnc(N2C[C@H]3C(CNC(=O)c4cnon4)[C@@H]3C2)cn1 1068181175 XLGYPBNIHOSHFZ-QWRGUYRKSA-N 311.305 -0.157 30 20 DBED C=C1CC(C)(C(=O)N2CC3(CC[C@H](CNC(=O)C(N)=O)O3)C2)C1 1068617542 BJRPQBSIGJRIBG-LLVKDONJSA-N 321.377 -0.296 30 20 DBED CC(=O)N(C)CC(=O)N[C@@H]1COC2(C1)CN(C(=O)[C@@H](C)C#N)C2 1068710270 AUFSCBWIRMGRCZ-JQWIXIFHSA-N 322.365 -0.890 30 20 DBED C=CCOCC(=O)N1CC2(C[C@@H](NC(=O)[C@H](C)C#N)CO2)C1 1069003552 NJTSZMWREXQZKS-VXGBXAGGSA-N 307.350 -0.165 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H](C)n2cccn2)C1 1069898626 SLWQUJQYEFUSBT-MJBXVCDLSA-N 313.365 -0.290 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H]2CCCN2C)C1 1069902332 RKOQPSYUWNJRNN-MCIONIFRSA-N 304.398 -0.100 30 20 DBED Cc1c[nH]nc1C(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1 1069921506 KRVPWCIWJBQGGB-MNOVXSKESA-N 300.326 -0.512 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2[nH]c(C)nc2C)C[C@@H]1n1ccnn1 1070276567 NOZQYMGLDRZPOB-OLZOCXBDSA-N 313.365 -0.093 30 20 DBED C=CCN1CC2(C1)CN(C(=O)CC(N)=O)C[C@@H]2c1n[nH]c(C)n1 1070443161 ZJDXUGOIOMNOEX-LLVKDONJSA-N 318.381 -0.598 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)[C@@H]2C[C@H]3CC[C@H]2O3)CC1 1070948456 MXEXQFGQKWXQPB-RBSFLKMASA-N 319.405 -0.162 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)Cc2nnc(C)o2)CC1 1070960918 BONYAOKRGHDORA-UHFFFAOYSA-N 321.381 -0.243 30 20 DBED C=CCOCC(=O)N1C[C@@H](C)[C@@H](NC(=O)c2ncn(C)n2)C1 1071807876 BYIPNBOJTTXACS-MNOVXSKESA-N 307.354 -0.406 30 20 DBED C[C@H]1CN(C(=O)COCCN(C)C)C[C@H]1NC(=O)C#CC1CC1 1072433427 WEJXPGBEESNEEL-DZGCQCFKSA-N 321.421 -0.059 30 20 DBED CC1(C)CN(C(=O)C#CC2CC2)CC[C@@H]1NC(=O)CNC(N)=O 1073306971 VWVATTFHCBQJDF-LBPRGKRZSA-N 320.393 -0.189 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CCN(C(=O)Cn2cnnn2)CC1(C)C 1073482580 HULXHYJXTHIYBB-WDEREUQCSA-N 319.369 -0.424 30 20 DBED Cn1c(C(=O)NC[C@@H]2CN(CC#N)CCCO2)cccc1=O 1073759574 BVHXNRNCJAYRLN-GFCCVEGCSA-N 304.350 -0.270 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)c2cn(CC=C)nn2)C1 1073807339 MKCIDFDSKAPRBM-ZDUSSCGKSA-N 303.366 -0.082 30 20 DBED C[C@H]1CN(C(=O)CNC(N)=O)CC[C@H]1NC(=O)C#CC1CC1 1073946377 QCYWKKAJSDZVAQ-CMPLNLGQSA-N 306.366 -0.579 30 20 DBED C=C[C@](C)(O)CC(=O)NCC[C@H](C)NC(=O)c1cnn(C)c1N 1076300601 OLPJQVAXSIRQGI-BONVTDFDSA-N 323.397 -0.046 30 20 DBED Cc1cc(C)n(CC(=O)N2CC[C@H]3CN(CC#N)C[C@H]32)c(=O)n1 1076405584 YLHHKQHYURSQHO-UONOGXRCSA-N 315.377 -0.084 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCn3cncc3C2)C1 1077251746 NHUFBTPBFLCSAC-BPLDGKMQSA-N 302.378 -0.370 30 20 DBED C[C@@H](CCNC(=O)C[C@@H]1CC(=O)NC1=O)NC(=O)C#CC1CC1 1077317616 AXOFYBQSTLCLMM-CMPLNLGQSA-N 319.361 -0.536 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2cnn(-c3nccs3)c2)C1 1077977708 LMGCMWZVWKWMIT-VXGBXAGGSA-N 317.374 -0.263 30 20 DBED N#CCN[C@H]1C[C@@H](NC(=O)CN2CCCNC2=O)C12CCC2 1078668738 QKNNZFVFOTUNAE-NWDGAFQWSA-N 305.382 -0.058 30 20 DBED C=CCOCC(=O)N(CC)C1CN(C(=O)c2nnn(C)n2)C1 1079494275 YLWUUMNSTWJWHS-UHFFFAOYSA-N 308.342 -0.914 30 20 DBED CCN(C(=O)C1(NC(N)=O)CC1)C1CN(C(=O)C#CC(C)C)C1 1079637751 KFECNODBYGWGDZ-UHFFFAOYSA-N 320.393 -0.094 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CO)(NC(=O)c2ccnn2C)CC1 1080762132 NRXRUZVGTSOHKT-LLVKDONJSA-N 319.365 -0.337 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)CCCOC)C[C@H]1O 1081344906 WKHVGIDKSFQISB-QWHCGFSZSA-N 314.382 -0.449 30 20 DBED CC#CCCCC(=O)NC[C@@H]1CN(C(=O)CNC(C)=O)C[C@@H]1O 1081669485 UDNDFIFDTLCCAN-KGLIPLIRSA-N 323.393 -0.748 30 20 DBED CCC(=O)N1CCC[C@H](C(=O)N[C@@H]2CN(CC#N)C[C@H]2OC)C1 1081720679 ZUJXBZPEYJJCTG-BFHYXJOUSA-N 322.409 -0.026 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)Cc1ccccc1C(N)=O 1082015185 HNXROOAABARRSX-ZIAGYGMSSA-N 316.361 -0.333 30 20 DBED C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1N[C@@H]1CCNC1=O 1082483982 YGJGZGNLIYRQNN-OASPWFOLSA-N 301.350 -0.175 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)c2ccc(C(N)=O)[nH]2)[C@H](O)C1 1090573008 JDNROYCGTABUKT-ZWNOBZJWSA-N 306.366 -0.145 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2ccc(=O)n(CC)n2)[C@H](O)C1 1090655077 OSFXNHJGGYBXLU-TZMCWYRMSA-N 318.377 -0.549 30 20 DBED C[C@@H](CC(N)=O)C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1C 1090803536 DAHPVRJAPCXCKY-HBNTYKKESA-N 316.365 -0.199 30 20 DBED CS(=O)(=O)CCC(=O)N1CCN(c2ccc(C#N)nn2)CC1 1093206031 QZENXCXGSPEMEE-UHFFFAOYSA-N 323.378 -0.568 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1[C@@H]2CN(c3ccc(C#N)cn3)C[C@@H]21 1093265353 DBXFSCSCVHCVTN-LAQFHYBYSA-N 323.356 -0.356 30 20 DBED COC[C@@]1(C(=O)NCCCN=c2cc[nH]c(C#N)n2)CCOC1 1094689696 OWFSGIUPBOYYDL-HNNXBMFYSA-N 319.365 -0.259 30 20 DBED CC#CCN1CC(N2C[C@@H](NC(=O)C3=COCCO3)CC2=O)C1 1094699789 VKNXYNDMZVOQOT-LBPRGKRZSA-N 319.361 -0.701 30 20 DBED N#CCN1CC(N2C[C@H](NC(=O)[C@@H]3CCCCO3)CC2=O)C1 1094726916 DMUUDMLNJZGJTD-YPMHNXCESA-N 306.366 -0.520 30 20 DBED Cc1nccn1CC(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1 1094817163 KIVIXGPBGBYGPQ-GFCCVEGCSA-N 316.365 -0.884 30 20 DBED COCC(=O)N[C@@H](C)C(=O)NCCCNc1ccc(C#N)nn1 1094844789 VMDJLNFAOVHQOW-JTQLQIEISA-N 320.353 -0.582 30 20 DBED CN(CCCNC(=O)C(=O)NCC1CC1)c1ccnc(C#N)n1 1095617951 YCPJBCRYXFLOKS-UHFFFAOYSA-N 316.365 -0.183 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCN(c2ccc(C)nn2)C1 1096360437 NNWMQYSYGJYWIC-GFCCVEGCSA-N 301.350 -0.381 30 20 DBED N#Cc1nccnc1N1CC[C@@H](NC(=O)CCc2cnn[nH]2)C1 1096489486 SVLGTWXFOOAHFQ-LLVKDONJSA-N 312.337 -0.206 30 20 DBED C[C@H](CNC(=O)C[C@@H]1CC(=O)NC1=O)N=c1cc[nH]cc1C#N 1097944506 ZRDQPRYSXWZQBN-NXEZZACHSA-N 315.333 -0.655 30 20 DBED C[C@@H](CNC(=O)C1CS(=O)(=O)C1)Nc1cncc(C#N)n1 1098071039 LUJIZNJMPFPIEM-QMMMGPOBSA-N 309.351 -0.691 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H]2CC[C@H]1[C@@H]1CN(CC#N)C[C@@H]21 1099468227 KXADALUYZPJIPR-BARDWOONSA-N 314.389 -0.182 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(Cc2cncn2C)C[C@H]1O 1099741469 UKOMNIVNNTUIQK-ZIAGYGMSSA-N 308.382 -0.326 30 20 DBED C=CCCN1CC[C@@H](NC(=O)CCN2C(=O)CCC2=O)[C@@H](O)C1 1099908449 DLANOGWLMUHQEN-OLZOCXBDSA-N 323.393 -0.347 30 20 DBED CC1(C(=O)N[C@@H]2CCN(CC(=O)NCC#N)C[C@H]2O)CCCC1 1099935455 OBIQSQBOYANNLC-CHWSQXEVSA-N 322.409 -0.242 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2c[nH]nc2C)[C@@H](O)C1 1099937734 MUFYNMNOIMXSJG-KGLIPLIRSA-N 306.366 -0.467 30 20 DBED C#CCNC(=O)CC(=O)NCC1CC(NCc2cnn(C)c2)C1 1100261590 FYCCASBNBIJJBG-UHFFFAOYSA-N 317.393 -0.456 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1CC(NCc2nnnn2C)C1 1100322829 VZOBXTOVEPMXRO-UNXYVOJBSA-N 306.370 -0.767 30 20 DBED C[C@@H]1CN(C)C[C@H](C(=O)NCCN(C)c2cnc(C#N)cn2)O1 1100407486 XDQOPLAGTSQBSB-DGCLKSJQSA-N 318.381 -0.380 30 20 DBED N#CCNC1CC(CNC(=O)CNC(=O)c2cscn2)C1 1100833909 LLFDNYPTZKMBDG-UHFFFAOYSA-N 307.379 -0.119 30 20 DBED CN1C[C@H](C(=O)N(C)CCNc2cncc(C#N)n2)NC1=O 1101903052 OAPRMSGLKDUSQA-SNVBAGLBSA-N 303.326 -0.758 30 20 DBED COC[C@@H](OC)C(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(C#N)cn1 1102571193 MGRKYIJFPQEBMR-RWMBFGLXSA-N 317.349 -0.201 30 20 DBED CC[C@@H](CNC(=O)Cn1cnnc1O)N=c1cc[nH]cc1C#N 1103066433 XXINAHXIRVXJOB-NSHDSACASA-N 315.337 -0.321 30 20 DBED CC[C@H](CNC(=O)[C@H]1CN(C)C(=O)N1)Nc1ccc(C#N)nn1 1103261806 UBUFTADWRKIFHR-MWLCHTKSSA-N 317.353 -0.321 30 20 DBED C#CCN1C[C@@H](C)[C@H](CCNC(=O)CN2CCNC(=O)C2)C1 1103305045 KUOSSCIXCUZBPC-ZIAGYGMSSA-N 306.410 -0.874 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)CCn1cnnn1 1104648584 XTQHKXJWXJZVBG-SNVBAGLBSA-N 315.341 -0.894 30 20 DBED C=CCNCc1cn(C2CN(C(=O)c3cn(C)cn3)C2)nn1 1105209326 DEASJHNKYRPBKA-UHFFFAOYSA-N 301.354 -0.016 30 20 DBED Cc1cc(NC[C@H](O)CNC(=O)[C@@H](C)C#N)n2ncnc2n1 1105773776 NCAHVDIGJQFSJU-WPRPVWTQSA-N 303.326 -0.519 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)CCn2ccnn2)nc1 1105796865 UCCVJVXXJTVZFQ-LBPRGKRZSA-N 315.337 -0.476 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)[C@@H]2CCCCO2)nn1 1105819638 HSAMXGXUBIOQKM-NEPJUHHUSA-N 305.338 -0.194 30 20 DBED N#Cc1cncc(NC[C@@H](O)CNC(=O)Cc2cnc[nH]2)n1 1106130294 SYTWDJKNYXLOBM-LLVKDONJSA-N 301.310 -0.797 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)[C@H]1OCCO[C@H]1C 1106985589 XQOVSTYBCAFZFG-FZMZJTMJSA-N 319.365 -0.166 30 20 DBED N#Cc1cncc(NC/C=C\CNC(=O)CNC(=O)C2CC2)n1 1107060247 GEDYFOHRGZXEBS-UPHRSURJSA-N 314.349 -0.041 30 20 DBED CC(C)C#CC(=O)NCc1cn(C2CN([C@@H](C)C(N)=O)C2)nn1 1107169837 WBZLZGHJCKFTJI-NSHDSACASA-N 318.381 -0.716 30 20 DBED C[C@H](CC(=O)NC/C=C/CNc1cnc(C#N)cn1)NC(N)=O 1107351382 RIVQDVMXDKBPQC-VMZHVLLKSA-N 317.353 -0.121 30 20 DBED C[C@H](CNc1cncc(C#N)n1)NC(=O)[C@H]1CCCS1(=O)=O 1107773491 RMIFKNSGXURZPK-MWLCHTKSSA-N 323.378 -0.158 30 20 DBED C[C@H](CNc1cnc(C#N)cn1)NC(=O)C[C@H]1CCC(=O)N1 1107839193 VEJHHTMQCHZDCV-NXEZZACHSA-N 302.338 -0.066 30 20 DBED C[C@H](CNc1cnc(C#N)cn1)NC(=O)COCCN(C)C 1107848254 CCVWKXWVWYTRLU-LLVKDONJSA-N 306.370 -0.157 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)CCCn1ccnn1 1107971703 ZJQOYXNTSQUFLH-LLVKDONJSA-N 314.353 -0.241 30 20 DBED C[C@@]1(CNC(=O)C(N)=O)CN(Cc2ccccc2C#N)CCO1 1108176978 LCFXXOXBGLMBTO-MRXNPFEDSA-N 316.361 -0.249 30 20 DBED Cc1csc(=O)n1CC(=O)NC[C@]1(C)CN(CC#N)CCO1 1108391322 XCRFMELQCOWYHT-CQSZACIVSA-N 324.406 -0.051 30 20 DBED Cc1cc(C#N)nc(N(C)C[C@H](C)NC(=O)[C@H]2CCC(=O)N2)n1 1108864038 WWPLOESDEPWJEI-CMPLNLGQSA-N 316.365 -0.124 30 20 DBED CN(CCCN=c1cc[nH]c(C#N)n1)C(=O)[C@H]1CCNC(=O)C1 1109427477 HFVRTMWJVDPTLN-NSHDSACASA-N 316.365 -0.443 30 20 DBED C[C@@H](CC(=O)N(C)CCCN=c1cc[nH]c(C#N)n1)NC(N)=O 1109532529 GOIPCALKQZUBDA-JTQLQIEISA-N 319.369 -0.523 30 20 DBED N#Cc1nccnc1NC[C@@H](NC(=O)[C@@H]1CCC(=O)N1)C1CC1 1109880480 LUQGJNZYUJPBIS-CMPLNLGQSA-N 314.349 -0.066 30 20 DBED CC(=O)NCC(=O)N1CCC[C@H]1CNc1ccc(C#N)nn1 1110527174 LTXUNUJEXTYAEV-LBPRGKRZSA-N 302.338 -0.113 30 20 DBED C=CCCC(=O)N1CCN(Cc2cc(=O)n(C)c(=O)n2C)CC1 1112690320 AGDHWTSSXZSQFS-UHFFFAOYSA-N 320.393 -0.306 30 20 DBED C=CCOCC(=O)N1CCN(C[C@@H](O)Cn2cccn2)CC1 1112703660 BVFOMSJCSLADMY-CQSZACIVSA-N 308.382 -0.409 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)[C@H]2CN(C)CCO2)CC1 1112740057 UXCSWVGBTKRUFY-ZIAGYGMSSA-N 324.425 -0.848 30 20 DBED C[C@@]1(C(=O)N2CCN(CC(=O)NCC#N)CC2)CCCOC1 1113459763 GXRGRPITTZHZBU-OAHLLOKOSA-N 308.382 -0.413 30 20 DBED C=CCCCN1CCN(C(=O)CNC(=O)Cn2cncn2)CC1 1113679198 HHTDIEJFTWGNFV-UHFFFAOYSA-N 320.397 -0.495 30 20 DBED C[C@@H](CNC(=O)C(C)(C)C(N)=O)N(C)c1ccnc(C#N)n1 1113741065 GSXARCKGOHNBBX-VIFPVBQESA-N 304.354 -0.199 30 20 DBED N#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)CC(F)(F)F)[C@H]2C1 1113980116 XCNJUEFXWGQPBI-VROVMSAKSA-N 304.272 -0.375 30 20 DBED CC(C)C#CC(=O)N[C@H]1[C@@H]2CN(C[C@@H](O)Cn3cccn3)C[C@@H]21 1114234891 SREAPJLIXYDYHZ-AIANPOQGSA-N 316.405 -0.050 30 20 DBED C#CCOCCC(=O)NC1[C@H]2CN(CC(=O)N(C)CC)C[C@H]12 1114265182 ANRQSGLANOUCQP-STQMWFEESA-N 307.394 -0.449 30 20 DBED C#CCOCCC(=O)N[C@H]1[C@@H]2CN(CC(=O)N[C@@H](C)CC)C[C@@H]21 1114265977 KKVINCGJDYXTEV-SZOQZIPDSA-N 321.421 -0.013 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@H](C)C(F)(F)F)[C@H]2C1 1114689794 QNJFBBVTIFPXGM-UXCLJVHYSA-N 317.311 -0.019 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@]3(C)CCOC3)[C@H]2C1 1115015724 JOIVVAYLRSNHDI-TWJWRFFLSA-N 305.378 -0.791 30 20 DBED C#CCN1C[C@H]2C(NC(=O)CC(=O)NCC(F)(F)F)[C@@H]2C1 1115046406 LTYRLZCVLUQUAJ-RKDXNWHRSA-N 303.284 -0.265 30 20 DBED CCS(=O)(=O)C[C@@H](C)N(C)C(=O)NCC(=O)NCC#N 1117430338 FSMBWOFMWZIYCN-SECBINFHSA-N 304.372 -0.909 30 20 DBED C=C(C)COCCNC(=O)C(=O)N1CCN(C(=O)OC)CC1 1117558126 SDXVAIXJBQWCDD-UHFFFAOYSA-N 313.354 -0.394 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCC[C@@H](C(=O)NC)C1)[C@H]1CCCO1 1117581933 OVOMFNWAMGUWGI-FRRDWIJNSA-N 321.377 -0.732 30 20 DBED C=CCOCCNC(=O)C(=O)N1CCC2(CCN(C)C2=O)CC1 1118442982 JLEFJUPOMSJXHO-UHFFFAOYSA-N 323.393 -0.224 30 20 DBED COC[C@H]1C[C@@H](O)CN1C(=O)C(=O)N1CCC[C@H](CC#N)C1 1118464314 AIIUIKOZQYLROC-JHJVBQTASA-N 309.366 -0.253 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CC[C@@H](C2OCCO2)C1)[C@H]1CCCO1 1119781526 WQCOKERWEJUMKS-FRRDWIJNSA-N 322.361 -0.495 30 20 DBED Cn1cc(CC(=O)NC[C@H](CO)Nc2ncccc2C#N)cn1 1121190867 NGNCLYMNKDOOML-CYBMUJFWSA-N 314.349 -0.182 30 20 DBED CCOCCOCC(=O)NC[C@H](CO)Nc1nccnc1C#N 1121678779 VVWXTRCJBMOPMA-LLVKDONJSA-N 323.353 -0.710 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H](CO)Nc1cc(OCC)ncn1 1122035199 FZTMCGRLSWOUKT-NWDGAFQWSA-N 322.365 -0.197 30 20 DBED CN(C)CC1(C(=O)NC[C@@H](CO)Nc2nccnc2C#N)CC1 1122508809 RXSJCKOHHCXRID-NSHDSACASA-N 318.381 -0.421 30 20 DBED Cc1c[nH]nc1C(=O)N(C)C[C@H](O)CNc1nccnc1C#N 1124284379 XNTLTMYYPSABCG-SNVBAGLBSA-N 315.337 -0.075 30 20 DBED C=CCOCC(=O)NCCN[C@H]1CCN(c2ccn(C)n2)C1=O 1124772517 DVNRKCLBTJVYGA-LBPRGKRZSA-N 321.381 -0.566 30 20 DBED CN(C[C@H](O)CN(C)c1cncc(C#N)n1)C(=O)[C@H]1CCCO1 1124938621 BDHCMAHDWQLRPR-CHWSQXEVSA-N 319.365 -0.217 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)Cc1cccnc1 1125705893 SQUJFAOMNKGWML-UHFFFAOYSA-N 319.365 -0.658 30 20 DBED CN(C)CCC(=O)N(C)CCOCCN=c1cc[nH]c(C#N)n1 1127462798 HIPQOONKGZUYFR-UHFFFAOYSA-N 320.397 -0.391 30 20 DBED C=C(Cl)C(C)(C)C(=O)NCCNCC(=O)NC(=O)NC 1128190875 YXNUMCIWIRLKBF-UHFFFAOYSA-N 304.778 -0.074 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H](C)Cn1ccc(C)n1 1128194458 JSNTZFPEXQGANJ-GXTWGEPZSA-N 319.409 -0.329 30 20 DBED Cc1c(CCC(=O)NCCNCC(=O)NCC#N)cnn1C 1128361284 BCSBXLMXICOSME-UHFFFAOYSA-N 306.370 -0.993 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)[C@@]2(CC)CCNC2=O)C1=O 1129872401 XMACQOOYCAYAHU-LRDDRELGSA-N 322.409 -0.605 30 20 DBED COCC[C@H](C)C(=O)N1C[C@H](n2ccnn2)[C@H](NCC#N)C1 1130129392 FWMKDZHXYJUVSY-XQQFMLRXSA-N 306.370 -0.184 30 20 DBED N#CCNC[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2CC2)n1 1130175595 QGUZSDGBVWZOSL-QWRGUYRKSA-N 304.354 -0.183 30 20 DBED C#CCN1C[C@@H](OC)C[C@H]1c1n[nH]c(CNC(=O)[C@H](C)C#N)n1 1130258660 WSWWLKWSCSKWRK-WOPDTQHZSA-N 316.365 -0.024 30 20 DBED C[C@@H](C#N)C(=O)NCc1c[nH]nc1[C@H]1CCN(CC(N)=O)C1 1130364891 KIMGLGRFYLJNFJ-UWVGGRQHSA-N 304.354 -0.540 30 20 DBED C#CCCCCC(=O)N1C[C@H]2C[C@@H]3CN(CC(N)=O)C[C@]2(C1)O3 1131218222 YITUZTAWVNRODQ-CKEIUWERSA-N 319.405 -0.033 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@@H]1c2c[nH]nc2CC[C@@H]1C 1131513891 NPXUARKPBKQULN-NHYWBVRUSA-N 317.393 -0.469 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)[C@H](OC)c1cnn(C)c1 1131877387 CSGXBLOKOKIIIU-WCQYABFASA-N 323.397 -0.496 30 20 DBED COCC#CCN1C[C@@H](NC(=O)c2nnn(C)n2)CC[C@H]1C 1132224802 QPTUSEZSBBPEOU-NEPJUHHUSA-N 306.370 -0.557 30 20 DBED CNS(=O)(=O)CCC(=O)N1CC[C@H](C)[C@@H](CNCC#N)C1 1132828290 PSOMKVIYFJPYNV-RYUDHWBXSA-N 316.427 -0.477 30 20 DBED C[C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)C[C@@H]1CNCC#N 1133185612 GJQZMRPESFDZIZ-MNOVXSKESA-N 307.354 -0.864 30 20 DBED C#CCOCCC(=O)N[C@H](C)C[C@H](C)NCC(=O)NCC#N 1134372224 GPYINWNOZVBKIS-QWHCGFSZSA-N 308.382 -0.461 30 20 DBED C=CCn1cc(C(=O)NCCNCCc2ccnn2C)nn1 1134969037 BQXNANWLUOPKKM-UHFFFAOYSA-N 303.370 -0.240 30 20 DBED CO[C@@H](C(=O)N1CC2(CCN(CC(=O)NCC#N)C2)C1)C1CC1 1147445950 OJQZWCPWIHENQC-CQSZACIVSA-N 320.393 -0.415 30 20 DBED C#CCOCCC(=O)N1CC2(CCN(Cc3cnnn3C)C2)C1 1147530290 IPETWAKZEUSLHK-UHFFFAOYSA-N 317.393 -0.111 30 20 DBED COCCC1(NC(=O)[C@H]2CCNC2=O)CCN(CC#N)CC1 1151248470 NNTVNPZIWGONKQ-LBPRGKRZSA-N 308.382 -0.367 30 20 DBED C=CCO[C@@H](C)C(=O)NCCNCC(=O)NC[C@H]1CCOC1 1153149544 YESNMGJAIBYECT-QWHCGFSZSA-N 313.398 -0.564 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)[C@H](C)NC(=O)CC 1153555172 PDLQEXWQYQDMKK-OLZOCXBDSA-N 324.425 -0.523 30 20 DBED C=CCOCCNCCNC(=O)CCCCCS(N)(=O)=O 1153946216 QZIQJIONPPEDCM-UHFFFAOYSA-N 321.443 -0.256 30 20 DBED CC(C)C#CC(=O)NCCCNCC(=O)N[C@@H](C)C(=O)N(C)C 1157644222 OLIKOPACGFQQMU-ZDUSSCGKSA-N 324.425 -0.665 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)c1cnc(C)nc1C 1168699412 AJYGETOQVPTDNZ-LBPRGKRZSA-N 317.393 -0.059 30 20 DBED C=CCNC(=O)CNCCCNC(=O)c1ccc(C(N)=O)cn1 1177361807 SGARTIRUCNOOBW-UHFFFAOYSA-N 319.365 -0.808 30 20 DBED C#CCNC(=O)CNC[C@@H]1CCN(C(=O)CCOC)C[C@@H]1C 1183679119 QIXYXLUUKMRELY-KBPBESRZSA-N 309.410 -0.154 30 20 DBED C[C@H]1CN(C(=O)CCn2ncn(C)c2=O)CC[C@@H]1CNCC#N 1184874177 YGZKVXYKUYEXRP-QWHCGFSZSA-N 320.397 -0.430 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H]2CN(Cc3ccon3)C[C@H]21 1187598735 ZWCXHUPQSXINJL-GXTWGEPZSA-N 316.361 -0.153 30 20 DBED CCOCCNC(=O)CN(C)[C@@H]1CCN(C(=O)[C@H](C)C#N)C1 1189391131 VWUNLRTUJFLUBI-CHWSQXEVSA-N 310.398 -0.169 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2ccn(C)c2)C1 1189642666 SUIAJYLKAVHSEK-AWEZNQCLSA-N 302.378 -0.079 30 20 DBED C=CCC[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)C2CN(C(C)=O)C2)C1 1192444718 OBLIPSNHXBJZPA-KCPJHIHWSA-N 309.410 -0.019 30 20 DBED C=CCNC(=O)[C@H](C)N(C)[C@@H]1CCN(C(=O)CC(=O)N(C)C)C1 1192757454 BMMPMRVFTJDPPB-QWHCGFSZSA-N 324.425 -0.312 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2cnn(C)c2)C[C@H]1O 1192844379 QQJUQNRXSBHMDS-MRVWCRGKSA-N 306.366 -0.880 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)CCn2ccccc2=O)C1 1193514978 RMYPBQMCQWNLIN-ZIAGYGMSSA-N 305.378 -0.024 30 20 DBED CC(C)N(C)CC(=O)N1CC[C@H](N(C)CC(=O)NCC#N)C1 1194284361 GTEQDQFJRXWBPW-ZDUSSCGKSA-N 309.414 -0.501 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCCN([C@H](C)C(N)=O)CC1 1197354369 SVFJLYDZDWIYMT-TZMCWYRMSA-N 324.425 -0.135 30 20 DBED N#CCNC(=O)CN1CCCN(C(=O)C[C@H]2CCCOC2)CC1 1198121795 OYJYKDJCAVUFJP-CQSZACIVSA-N 322.409 -0.023 30 20 DBED COCCOC[C@@H](O)CNC1CCN(C(=O)[C@H](C)C#N)CC1 1199815381 AKCPHYGJVGQVHO-OCCSQVGLSA-N 313.398 -0.249 30 20 DBED C=CCNC1CCN(C(=O)[C@H](CCC(N)=O)NC(C)=O)CC1 1202962270 YSTIWBCSYJMBNS-ZDUSSCGKSA-N 310.398 -0.477 30 20 DBED COCC#CCNCC1CCN(C(=O)C(C)(C)C(N)=O)CC1 1205487363 CGLKONSHSGXMDR-UHFFFAOYSA-N 309.410 -0.024 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)[C@H]1CCCCO1 1206875591 QXQPIPGXOICFBN-JHJVBQTASA-N 308.382 -0.368 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@@H](NCc2cnon2)C1 1207872190 LZYYBZMMHUTCGP-LLVKDONJSA-N 305.338 -0.710 30 20 DBED COCC#CCN[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(C)C2)C1 1208263719 ATTOONINSYJBJS-UONOGXRCSA-N 307.394 -0.305 30 20 DBED C#CCN[C@@H]1CCCN(C(=O)[C@H](CCC)S(N)(=O)=O)C1 1208759759 UUJAMXQEYZTITC-NEPJUHHUSA-N 301.412 -0.343 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2CCNC2=O)C1 1208941676 HMZVOKBTSWKNLK-VXGBXAGGSA-N 308.382 -0.995 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)[C@@H](C)OCC=C)[C@H](C)C1 1211425354 LJHOCCSHCRAPLF-MGPQQGTHSA-N 307.394 -0.237 30 20 DBED C=CCCC(=O)N[C@@H]1CN([C@H]2CCC(=O)NC2=O)C[C@H]1OC 1212022302 KSWBXTREEDWWLI-GRYCIOLGSA-N 309.366 -0.427 30 20 DBED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)C1CC(C)C1 1212094947 MNKJMUJYCQCLGO-FIYWTHMPSA-N 308.382 -0.512 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@H](NC(N)=O)C(C)(C)C 1213721123 ATSFHENSWKUGJM-MXWKQRLJSA-N 311.386 -0.592 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@@H](NCC(=O)N2CCC2)[C@H](C)C1 1214602162 LAMKQCSOHUYANP-HZSPNIEDSA-N 307.394 -0.307 30 20 DBED CC[C@@H](NC(C)=O)C(=O)N1C[C@@H](NCC#CCOC)[C@H](C)C1 1215622091 MUMPKUWTYOQULV-BPLDGKMQSA-N 309.410 -0.013 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C2(CCCC)CC2)C1 1220287008 RZVSQDITIQLVRK-KGLIPLIRSA-N 321.421 -0.133 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)C2(S(C)(=O)=O)CCC2)C1 1220655011 UVXIGTXAQGLYGY-NEPJUHHUSA-N 314.407 -0.862 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3cnns3)[C@@H]2C1 1221307032 CJIBYCDIQMCQKM-GHMZBOCLSA-N 319.390 -0.566 30 20 DBED C=C[C@@](C)(O)CC(=O)NC1CCN([C@@H]2CCC(=O)NC2=O)CC1 1227124701 XIQCCSSYZMJVKE-MLGOLLRUSA-N 323.393 -0.301 30 20 DBED Cc1nn(C)cc1C(=O)N(C)C[C@@H]1CCN1CC(=O)NCC#N 1231263796 PSCWQYJCTIHCJH-LBPRGKRZSA-N 318.381 -0.485 30 20 DBED C=CCNC(=O)CN(C)CCCNC(=O)CCn1cncn1 1234061875 RSVXHQKYJYZPPM-UHFFFAOYSA-N 308.386 -0.592 30 20 DBED CN(C[C@H]1CCN1CC(=O)NCC#N)C(=O)[C@@H](C1CC1)N(C)C 1235336197 OQXILEWLTNMIOF-UKRRQHHQSA-N 321.425 -0.501 30 20 DBED CNCCCc1[nH]nc(NC(=O)CN2CCCC2=O)c1C#N 1253730706 JHPCCIBZZPXFLW-UHFFFAOYSA-N 304.354 -0.006 30 20 DBED CN(C)c1nccc(CNC(=O)C(=O)NCCCCC#N)n1 1258149672 PLJTWQJYBARAQH-UHFFFAOYSA-N 304.354 -0.031 30 20 DBED C=CCCn1cc(C(=O)N[C@@H]2CCN(C[C@@H](O)COC)C2)nn1 1266347499 PPODSPBVHUEANX-CHWSQXEVSA-N 323.397 -0.334 30 20 DBED C=CCNC(=O)CNC[C@H]1CCCN1C(=O)Cc1nc[nH]n1 1277974205 SPXJUIJMFJTWHV-LLVKDONJSA-N 306.370 -0.770 30 20 DBED CN(CC#N)S(=O)(=O)c1cnc2c(c1)c(O)nc(=O)n2C 1320026784 XVTSVHXBYXXSRI-UHFFFAOYSA-N 309.307 -0.822 30 20 DBED C#CCNC(=O)C1CCN(C(=O)C(=O)NC[C@H]2CCCO2)CC1 1321363848 DCQWFZMGXBGBJB-CYBMUJFWSA-N 321.377 -0.730 30 20 DBED C#C[C@H](NC(=O)C(=O)NCCCC(=O)NC1CC1)[C@@H]1CCCO1 1322264513 NBBXAGNKBIQVKK-STQMWFEESA-N 321.377 -0.542 30 20 DBED C#CCOCCNC(=O)C(=O)NCc1ncnn1C(C)(C)C 1322966089 BTLYIOSNJRIFHW-UHFFFAOYSA-N 307.354 -0.585 30 20 DBED C#CCOCCC(=O)N1CCN(C(=O)N2CCOCC2)CC1 1322998163 GGFQVCUEEAAJLC-UHFFFAOYSA-N 309.366 -0.377 30 20 DBED C[C@H]1CS(=O)(=O)CCN1C(=O)NC1CCN(CC#N)CC1 1324395448 GDRIXWACVRPRPC-NSHDSACASA-N 314.411 -0.197 30 20 DBED N#Cc1cc(C(=O)NC[C@H]2CCC[C@]23NC(=O)NC3=O)c[nH]1 1325022295 BFDKJKKNQCAFBG-OTYXRUKQSA-N 301.306 -0.006 30 20 DBED COCCn1cc(NC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)cn1 1326048529 IRGJHXBOCWPMMB-AWEZNQCLSA-N 321.337 -0.655 30 20 DBED N#CCCC[C@@H](N)C(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 1327181587 SMMHXCRCDGLNOY-HUUCEWRRSA-N 323.441 -0.470 30 20 DBED Cc1nnc([C@H](C)NC(=O)C(=O)N2CCO[C@H](C#N)C2)s1 1327259284 QEZUOMIRPXTULH-IONNQARKSA-N 309.351 -0.225 30 20 DBED C#CCSCCNC(=O)C(=O)N1CCC[C@@H](n2ccnn2)C1 1328098720 PKOACQLSJUIJKY-GFCCVEGCSA-N 321.406 -0.076 30 20 DBED Cn1cc(N2C[C@@H](C(=O)NC3(C#N)CCOCC3)CC2=O)cn1 1330455985 DAKKTGRPLIHWFK-NSHDSACASA-N 317.349 -0.038 30 20 DBED O=C(NCC#Cc1ccccc1)C(=O)NCCN1CCNC1=O 1333839563 WDMTXSYNVPVZQE-UHFFFAOYSA-N 314.345 -0.704 30 20 DBED C=CCn1nnnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1334447696 HNWQBLKNDMQUPS-NSHDSACASA-N 315.399 -0.111 30 20 DBED C#CCC[C@H](O)CNC(=O)C(=O)Nc1cc(C)c(=O)n(C)c1 1339865099 MWSVPOJBYLWSHX-LBPRGKRZSA-N 305.334 -0.477 30 20 DBED CS(=O)(=O)[C@H]1CCC[C@@H](NC(=O)NCC(=O)NCC#N)C1 1342602432 UGFRZRDICWCJHM-ZJUUUORDSA-N 316.383 -0.719 30 20 DBED C#CC1CCN(C(=O)C(=O)N[C@H](C)[C@H]2CN(C)CCO2)CC1 1349247510 ABGFMYRSVOKYQF-TZMCWYRMSA-N 307.394 -0.307 30 20 DBED CC[C@@H](C[C@H](C)CO)NC(=O)Cn1cc(C#N)c(O)nc1=O 1362246694 WFEHKFWYZCWDSY-ONGXEEELSA-N 308.338 -0.266 30 20 DBED N#CC1(CNC(=O)Cn2[nH]cc3c(=O)ncnc2-3)CCOCC1 1363916178 ZWJAGSMCWOQLPA-UHFFFAOYSA-N 316.321 -0.492 30 20 DBED C=C(Cl)CNC[C@H](O)CNC(=O)[C@@H]1COCCN1CC 1367595830 AOTYJSGQUNGCMB-RYUDHWBXSA-N 305.806 -0.474 30 20 DBED N#Cc1cccc(CNC[C@H](O)CNC(=O)c2cnn[nH]2)c1 1374621934 COXNGSQBMHWERI-LBPRGKRZSA-N 300.322 -0.443 30 20 DBED C[C@H](C#N)C(=O)NCCN(C[C@@H](O)Cn1cccn1)C1CC1 1377521030 XIKFNHCXMGQHEK-TZMCWYRMSA-N 305.382 -0.016 30 20 DBED N#Cc1c[nH]c(C(=O)NC2CN(CCNC(=O)C3CC3)C2)c1 1377864661 ANVRLZQYCWVVDZ-UHFFFAOYSA-N 301.350 -0.173 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@]1(C)CCN(C(=O)Cn2cnnn2)C1 1379799778 GVHPSSQWUIQYBU-GXFFZTMASA-N 305.342 -0.812 30 20 DBED C[C@H](C#N)C(=O)NCCC1CCN(C(=O)Cn2ncnn2)CC1 1388310845 STVGJWQFUSJKQY-LLVKDONJSA-N 319.369 -0.422 30 20 DBED Cc1cc(C)n(CCC(=O)NC[C@H](O)CNC(=O)[C@H](C)C#N)n1 1389111924 VUMATBCVYCMUCF-MFKMUULPSA-N 321.381 -0.357 30 20 DBED C[C@@H](C#N)C(=O)NC1CCN(C(=O)CNC(=O)C2CC2)CC1 1396827687 DNTZXLFALWSJHZ-JTQLQIEISA-N 306.366 -0.221 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)CCc2cncnc2)C1 1406401087 MBPLHBSPIMXHKD-RTXFEEFZSA-N 317.349 -0.743 30 20 DBED Cc1cc(C(=O)NCCN2CCN(C(=O)[C@@H](C)C#N)CC2)n[nH]1 1414747465 LFUSUILJFQVOOC-NSHDSACASA-N 318.381 -0.248 30 20 DBED C[C@@H](CN(C)C(=O)c1cn(C)nn1)NC(=O)c1ccc(C#N)[nH]1 1425053994 MBGISSJQYDQVOM-VIFPVBQESA-N 315.337 -0.095 30 20 DBED C[C@H](C#N)C(=O)N(C)CCN(C)C(=O)c1cc(C(N)=O)ccn1 1431399881 QNQRBDCRBISRHN-SNVBAGLBSA-N 317.349 -0.129 30 20 DBED C[C@H](CS(C)(=O)=O)C(=O)N1CC(CNC(=O)[C@H](C)C#N)C1 1432476074 JGPHELZKNZHVLY-NXEZZACHSA-N 315.395 -0.599 30 20 DBED Cc1nn(C)cc1CC(=O)NC[C@@H](O)CNC(=O)[C@H](C)C#N 1433305817 OVZJEAHNNRVENW-BXKDBHETSA-N 307.354 -0.976 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1ncc2ccccn12 1433309878 QKFUDFMMOICTHI-JQWIXIFHSA-N 315.333 -0.299 30 20 DBED COCCS(=O)(=O)CC(=O)Nc1c(C#N)c(C)nn1C 1433521633 VKZUSGCVPZYHOU-UHFFFAOYSA-N 300.340 -0.400 30 20 DBED N#Cc1ccc(S(=O)(=O)N2CCC(CO)(CO)CC2)cn1 1434613953 QWGSIPOXCRYIDR-UHFFFAOYSA-N 311.363 -0.291 30 20 DBED COc1ccc(CNC(=O)Cn2cc(C#N)c(O)nc2=O)cn1 1440768757 KGEDTYUYYHHOLO-UHFFFAOYSA-N 315.289 -0.459 30 20 DBED CC(=O)N(C)CC(=O)NC[C@@H](C)N(C)C(=O)c1c[nH]c(C#N)c1 1449828654 UNROXYLRVUNLKF-SNVBAGLBSA-N 319.365 -0.059 30 20 DBED C[C@@H](C#N)C(=O)N1CC(CNC(=O)Cn2cc(C3CC3)nn2)C1 1450633648 KQVDOCANCSNHBG-JTQLQIEISA-N 316.365 -0.110 30 20 DBED COC(=O)[C@H](COC1CCC1)N(C)C(=O)Cn1cnc(C#N)n1 1466048030 RCSWQTZAWNHLQO-NSHDSACASA-N 321.337 -0.281 30 20 DBED N#Cc1sc(NC(=O)NCC(=O)NCCO)nc1Cl 1466806509 WTZGAMXSNFJTOF-UHFFFAOYSA-N 303.731 -0.102 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)C[C@@H](C)n2cccn2)C1 1479967843 OAUARLRRQNWSRX-ZIAGYGMSSA-N 317.393 -0.226 30 20 DBED C=CCCOCC(=O)N1CC[C@H](N[C@H]2CCC(=O)NC2=O)C1 1480624645 FPDALIHTEKGBLE-RYUDHWBXSA-N 309.366 -0.425 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCN([C@H](C)C(=O)NCC=C)C1 1490539060 KLTYNEDHEWSMKB-ZIAGYGMSSA-N 307.394 -0.093 30 20 DBED C#CCNC(=O)CNC[C@H]1CCCCN1C(=O)[C@@H]1COCCO1 1501861096 ISTDNLIHDURGKC-KGLIPLIRSA-N 323.393 -0.878 30 20 DBED Cn1cc(C(=O)[C@H](C#N)C(=O)NC2CCCC2)c(O)nc1=O 1524677374 CXGKFPAWCXIJIZ-VIFPVBQESA-N 304.306 -0.133 30 20 DBED C=CCN1CC[C@@H](N2CCC[C@@H](NC(=O)CNC(=O)O)C2)C1=O 1573368883 SKYQXCQQDPIHKQ-VXGBXAGGSA-N 324.381 -0.379 30 20 DBED C[C@H](C#N)C(=O)N(C)CCNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 1573562319 SGNMLAXYPNCNCT-MRVPVSSYSA-N 316.325 -0.457 30 20 DBED C#CCNCC(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F 1574729153 ASYJNFMFTKLXCN-MRVPVSSYSA-N 315.317 -0.852 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1CNS(=O)(=O)C[C@@H]1CNCCO1 1574832120 YCPZYOUQXNBZMG-AGIUHOORSA-N 304.412 -0.125 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)O[C@H](C)C(=O)NCC(=O)O 1588547220 ICUKVGWYKBXTKQ-PSASIEDQSA-N 300.311 -0.410 30 20 DBED C=C(C)C[C@@H](NS(=O)(=O)N(C)CCC(=O)O)C(=O)OC 1588555414 ICQTYSXCXCEQDD-SECBINFHSA-N 308.356 -0.265 30 20 DBED C=CCOCCCn1nnnc1N1CCO[C@H](CC(=O)O)C1 1588869153 VLIQOLZCFUICMF-LLVKDONJSA-N 311.342 -0.054 30 20 DBED CCOC(=O)CON=C(C(=O)NCCC(=O)O)c1cc[nH]n1 1590648609 WVEYBLKBNAJKLK-UHFFFAOYSA-N 312.282 -0.716 30 20 DBED CN1CC[C@@](C)(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[nH]2)C1=O 1591178265 INYYEXWPSKLSQS-LBPRGKRZSA-N 315.297 -0.732 30 20 DBED N#Cc1ncn(CCNC(=O)c2ccc(-c3nn[nH]n3)cc2)n1 1592709541 IWGYGYDVOJNXCK-UHFFFAOYSA-N 309.293 -0.240 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@H]1C[C@@H](C(=O)O)C1 1594000304 QIPPBWPTYBCKGR-AOOOYVTPSA-N 305.356 -0.454 30 20 DBED COC(=O)c1ccn(CC(=O)N2CCC(C#N)(C(=O)O)CC2)n1 1599004172 FFKUMUUUCDLDTH-UHFFFAOYSA-N 320.305 -0.113 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N2[C@H]3CC[C@H]2[C@H](C(=O)O)C3)CCO1 1601063345 PWBLQBJKTIGMBP-ZDCRXTMVSA-N 315.351 -0.607 30 20 DBED C#CCC1(O)CCN(C(=O)[C@H]2CCCN(CC(=O)O)C2=O)CC1 1602675468 WHORBOUARLYNLJ-GFCCVEGCSA-N 322.361 -0.314 30 20 DBED C=CCN(CC=C)C(=O)C(=O)N1C[C@@H](C(=O)O)[C@@H](C(=O)OC)C1 1602887723 KYCCQTGHXXHDMQ-MNOVXSKESA-N 324.333 -0.481 30 20 DBED N#C[C@@]12CN(C(=O)CCCC(=O)O)C[C@H]1CS(=O)(=O)C2 1605601527 QNPZYMHPHQSEMX-CABZTGNLSA-N 300.336 -0.362 30 20 DBED N#CCN(CC(=O)O)S(=O)(=O)c1cnnn1-c1ccccc1 1608183530 HBTAUGKBXOQPAM-UHFFFAOYSA-N 321.318 -0.134 30 20 DBED Cc1csc2nc(Cn3c(=O)[nH]cc(C#N)c3=O)cc(=O)n12 1644021944 LTZVAGHPRMQQGS-UHFFFAOYSA-N 315.314 -0.166 30 20 DBED Cc1cc(NC(=O)CNS(=O)(=O)N(C)C)n(CCC#N)n1 1645971110 LQTKWNCTDWSUAO-UHFFFAOYSA-N 314.371 -0.560 30 20 DBED CS(=O)(=O)N[C@@H]1CCCN(C(=O)C2(C#N)CCOCC2)C1 1647369093 QBOJOLZATPQEPX-LLVKDONJSA-N 315.395 -0.153 30 20 DBED C#CCN1CCN(CCCNC(=O)C[C@H]2CCC(=O)N2)CC1 1752351720 ADUHSPXTHCWJCQ-CQSZACIVSA-N 306.410 -0.588 30 20 DBED C#CCNC(=O)CN(C)CCNC(=O)c1ocnc1C1CC1 1753063940 IVBUFYJKMKVYEA-UHFFFAOYSA-N 304.350 -0.037 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@H]1CCCN1CC(=O)NC(N)=O 1753105774 REQBZMWDOGJFNT-HZMBPMFUSA-N 312.370 -0.911 30 20 DBED Cc1cnc(C(=O)NC[C@H]2CCN(CC(=O)NCC#N)C2)cn1 1753120826 YRHDLFCMNCUVDT-GFCCVEGCSA-N 316.365 -0.524 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@@H](CNC(=O)CCN(C)CC)C1 1753138883 ZVJYZASSOVIMPS-GJZGRUSLSA-N 322.453 -0.096 30 20 DBED COCC#CCNC[C@@](C)(NC(=O)C1CN(C(C)=O)C1)C1CC1 1753515800 HETXUBGGFHXCMT-QGZVFWFLSA-N 321.421 -0.011 30 20 DBED C#CCNC(=O)CNC[C@@H](C)N(C)C(=O)CC1CCOCC1 1753683402 JWBXZAVAPPXZET-CYBMUJFWSA-N 309.410 -0.011 30 20 DBED C#CCCN[C@@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C[C@H]1C 1753767049 BWDJOWKJBCUYHE-VXGBXAGGSA-N 318.381 -0.773 30 20 DBED C#CCOCCC(=O)N1CCC[C@H]([C@@H](C)NCC(=O)NC)C1 1753795006 UIIRGCHHPZAKLZ-KGLIPLIRSA-N 309.410 -0.011 30 20 DBED C=CCNC(=O)CNC[C@@H](C)NC(=O)[C@@]1(C)CCC(=O)NC1 1754239185 FNEPZIOGXWVZBF-ABAIWWIYSA-N 310.398 -0.701 30 20 DBED C=CCCn1cc(C(=O)NC[C@@]2(O)CCN(CCOC)C2)nn1 1754761027 YARLNCTWSVVWQU-HNNXBMFYSA-N 323.397 -0.333 30 20 DBED C=C(C)CN1CC[C@@](O)(CNC(=O)[C@H]2CN(CC)CCO2)C1 1754762397 OSHTVEHTIPLXAF-GDBMZVCRSA-N 311.426 -0.164 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@H](CCNCC(=O)NCC)C1 1754915632 XUOGATMHEDWTMY-KBPBESRZSA-N 309.410 -0.011 30 20 DBED C=CCNC(=O)CN(C)CCCN(C)C(=O)[C@@H]1CCC(=O)N1 1755044131 MWNZVSMLTURTNU-LBPRGKRZSA-N 310.398 -0.653 30 20 DBED COc1ccnc(C(=O)N[C@H](C)[C@H](C)NCC(=O)NCC#N)c1 1755248599 KIFOJRDCVBAGEZ-WDEREUQCSA-N 319.365 -0.174 30 20 DBED N#CCNCCCOCCNC(=O)c1cccn2c(O)nnc12 1755553474 HUOAROSGUQCBRB-UHFFFAOYSA-N 318.337 -0.315 30 20 DBED CO[C@H]1CCn2cc(C(=O)NC[C@H](CO)NCC#N)nc2C1 1755631320 DAGGVPCROLIBMN-MNOVXSKESA-N 307.354 -0.952 30 20 DBED C#CCNC(=O)CN1CCC[C@@H](NC(=O)CN(C)C(C)=O)[C@@H]1C 1755714367 LEALIUVBIXYOAC-GXTWGEPZSA-N 322.409 -0.817 30 20 DBED C#CCNC[C@H]1CN(C(=O)Cn2ncnn2)C[C@H]1C(F)(F)F 1755769157 ZPWATTRVKVDKNO-VHSXEESVSA-N 316.287 -0.467 30 20 DBED C#Cc1cncc(C(=O)NCCOCCN(C)C(=O)COC)c1 1756382869 DVOGHDYWXYIZPM-UHFFFAOYSA-N 319.361 -0.086 30 20 DBED C[C@@H](CN(C)C(=O)C#CC1CC1)NC(=O)CCn1cnnn1 1756450593 JASWEPRAQCCZSQ-NSHDSACASA-N 304.354 -0.560 30 20 DBED C#CCCCCC(=O)NC[C@@H](CO)NC(=O)[C@@H]1CCN(C)C1 1756514015 QVOIFNJKSUCCLW-KGLIPLIRSA-N 309.410 -0.275 30 20 DBED C#CCOCCC(=O)NC[C@H](CO)NC(=O)c1ncccc1C 1756520629 AEBJNYFBHKCTHD-CYBMUJFWSA-N 319.361 -0.363 30 20 DBED C#CCCCC(=O)N(C)C[C@H](O)CN(C)C(=O)Cn1cncn1 1756685960 MLFNDGFKVQFAKN-ZDUSSCGKSA-N 321.381 -0.641 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2nocc2C)C1 1757035357 LIORUROQUKHXIY-QJPTWQEYSA-N 321.333 -0.677 30 20 DBED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)c1cccnc1)C2 1846194880 ABVWTACSUPRLPC-UHFFFAOYSA-N 313.313 -0.013 30 20 DBED CNS(=O)(=O)[C@H]1CCN([C@@H](C)C(=O)N(C)CCC#N)C1 155812262 JDPRQOYAWJQRMN-QWRGUYRKSA-N 302.400 -0.630 30 20 DBED C=CCNC(=O)CN1C[C@H](C)N(CC(=O)NCC=C)[C@H](C)C1 187110253 CTROXRZPXZUKOP-OKILXGFUSA-N 308.426 -0.015 30 20 DBED C/N=C(\NCC(=O)NC1CC1)N1CCC(CC(=O)NC)CC1 261745691 LFEODBKEOYUIDV-UHFFFAOYSA-N 309.414 -0.312 30 20 DBED N#CCOc1ccc(CC(=O)N2CCO[C@H](C(N)=O)C2)cc1 264661131 IYJYBJYUYXRQTQ-ZDUSSCGKSA-N 303.318 -0.156 30 20 DBED CNS(=O)(=O)CCNC(=O)C(=O)Nc1cc(C#N)ccc1C 276234172 XEHRHSSDRMXNGU-UHFFFAOYSA-N 324.362 -0.529 30 20 DBED CN1C(=O)C[C@@H](NS(=O)(=O)c2ccc(F)cc2C#N)C1=O 287588245 YPRASLYRQAQUBF-SECBINFHSA-N 311.294 -0.267 30 20 DBED CC[C@]1(C)NC(=O)N(NS(=O)(=O)N(C)C[C@H](C)C#N)C1=O 289257376 UYPAYBZDIKEFGZ-KCJUWKMLSA-N 317.371 -0.452 30 20 DBED C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C#N)c(F)c2)CC(=O)N1 296189558 MXVKHPUPVXQTLP-MRVPVSSYSA-N 304.281 -0.017 30 20 DBED Cn1cc(/C(O)=N/[C@H](CO)CN2CCCCC2)c(O)nc1=O 329166791 IGXFNEWHPGHXAV-JTQLQIEISA-N 310.354 -0.363 30 20 DBED COCCN1CC[C@@H](/N=C(/O)CN2CCCS2(=O)=O)C1 329309035 PFNCOCUMROQOAE-LLVKDONJSA-N 305.400 -0.301 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCCC(=O)N2)CC1 332223006 KXGLTAJECNGCMY-ZDUSSCGKSA-N 322.409 -0.508 30 20 DBED COCCO[C@@H]1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)C1 337156808 PEKICAPZWDIISL-VXGBXAGGSA-N 319.383 -0.807 30 20 DBED COC(=O)[C@@H]1CN(C(=O)CNc2ccc(C#N)cn2)C[C@H](C)O1 338370077 DOYLEAGVULLRBS-JQWIXIFHSA-N 318.333 0.154 30 20 DBED C[C@@H]1CCC[C@@]1(O)CNS(=O)(=O)N1CCO[C@@H](C#N)C1 339094647 BZGMWEBCHPBYBU-GRYCIOLGSA-N 303.384 -0.404 30 20 DBED CCN(CCC#N)C(=O)CN1CCC(S(=O)(=O)NC)CC1 339498383 QYKJYQBGSLWBSN-UHFFFAOYSA-N 316.427 -0.238 30 20 DBED C=CC[C@H](CO)CNC(=O)NCCC(=O)N1CCN(C)CC1 341865071 DXNAJRLNLWIEHG-ZDUSSCGKSA-N 312.414 -0.366 30 20 DBED C[C@@H](C#N)CN(C)C(=O)CN1CCN(S(C)(=O)=O)CC1 347486089 AIBXDDRNKIPRAD-NSHDSACASA-N 302.400 -0.818 30 20 DBED N#CCNC(=O)CNC(=O)N[C@@H](CO)Cc1ccc(F)cc1 358271009 GQPMBLVJZDUSLC-GFCCVEGCSA-N 308.313 -0.332 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1CC[C@H](S(=O)(=O)NC)C1 372157408 PJQWIGIVYGVADH-UWVGGRQHSA-N 318.399 -0.990 30 20 DBED COC(=O)CCN1CCN(S(=O)(=O)[C@@H](C)C#N)[C@H](C)C1 416457020 NHZFDDHOLZPOJO-MNOVXSKESA-N 303.384 -0.203 30 20 DBED C#CCN1CCN(C(=O)Cn2nc(-c3ccco3)oc2=O)CC1 490922514 FFORDJDHEQXCJF-UHFFFAOYSA-N 316.317 -0.126 30 20 DBED CN(CCCOC(=O)NC(N)=O)CCCc1[nH]nc(N)c1C#N 494573696 TWKRDDPROVCVKR-UHFFFAOYSA-N 323.357 -0.077 30 20 DBED C[C@@H](CNC[C@@H](O)CN(C)CCC#N)CN1CCN(C)CC1 520798441 VXKBYIFZYKUGAL-JKSUJKDBSA-N 311.474 -0.334 30 20 DBED CCC[C@H](C#N)NC(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1 531031356 NPMVJNPUTUWRNJ-VHSXEESVSA-N 313.383 -0.105 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H]2CCC[C@H](N)C2)C1=O 574150686 KAZSIGHSVCSQFK-MNOVXSKESA-N 322.365 -0.403 30 20 DBED CCN1C[C@H](NC(=O)C(=O)Nc2cc(C)c(C#N)cn2)CC1=O 580961234 NHUKLOKTVQVYQK-LLVKDONJSA-N 315.333 -0.063 30 20 DBED N#CCN1CCC(NC(=O)C(=O)NCCOCC2CC2)CC1 586831783 JMAPMSBFCPSHAQ-UHFFFAOYSA-N 308.382 -0.367 30 20 DBED CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N2CC(C#N)C2)C1 590089609 RAIMQLPECZQLFP-LLVKDONJSA-N 301.368 -0.038 30 20 DBED COC(=O)[C@@H]1C[C@H](O)CN([C@H](C(N)=O)c2ccc(C#N)cc2)C1 592199188 SMDGHOMBFLSEHW-RDBSUJKOSA-N 317.345 -0.060 30 20 DBED N#CCCN1CCN(C(=O)NCC(=O)N2CCOCC2)CC1 601589318 BBEMIAQPPMFDGE-UHFFFAOYSA-N 309.370 -0.914 30 20 DBED C=CC[C@@H](NS(=O)(=O)c1cccc(-n2cnnn2)c1)C(=O)O 681557477 AZYYLYQIJSRVHE-LLVKDONJSA-N 323.334 -0.030 30 20 DBED N#C[C@H]1CN(C(=O)COc2ccc(-c3nn[nH]n3)cc2)CCO1 737678196 HGRINBQBTONDSS-LBPRGKRZSA-N 314.305 -0.004 30 20 DBED C=CCN(C(=O)CN1CCN(S(C)(=O)=O)CC1)C(C)C 759319314 JLYIYCIQSKCVRI-UHFFFAOYSA-N 303.428 -0.013 30 20 DBED C=C(CN(C)C)C(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 763953390 IXFZGDXTVQITHT-CYBMUJFWSA-N 315.439 -0.565 30 20 DBED C#CCC[C@@H](O)CNC(=O)Cc1ccc(S(N)(=O)=O)cc1 799081848 PHGNKNIRYHATDL-GFCCVEGCSA-N 310.375 -0.233 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N[C@H](C)c1nnnn1C1CC1 800127326 LOXDEWHLIPRXBB-DTWKUNHWSA-N 313.387 -0.005 30 20 DBED C[C@@H](C#N)OCCOC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 801844964 OYNIYNYISBQNHD-YQPPGCHHSA-N 322.317 -0.379 30 20 DBED C=CCCn1cc(C(=O)OCc2cc(=O)n(C)c(=O)n2C)nn1 820987484 MMFDPDIDUKBZAE-UHFFFAOYSA-N 319.321 -0.391 30 20 DBED Cn1c(COC(=O)[C@@](C)(C#N)CC(=O)O)cc(=O)n(C)c1=O 821277495 JJKWTZJERVFTDU-CYBMUJFWSA-N 309.278 -0.868 30 20 DBED C#CCN1CCN(C(=O)CN2CC[C@H](OC)C[C@@H]2C(=O)O)CC1 833363980 CJBRSAIZBNCJLI-UONOGXRCSA-N 323.393 -0.672 30 20 DBED C=CCNC(=O)CNC(=O)C(=O)Nc1cc(C(=O)O)n(C)c1 833377423 WFRZXDJLIZFKHJ-UHFFFAOYSA-N 308.294 -0.920 30 20 DBED N#C[C@H]1CNC[C@@H]1NC(=O)CCOc1cccc(C(N)=O)c1 843461784 NNUOICGRQCOUNZ-AAEUAGOBSA-N 302.334 -0.218 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N1CC[C@](C)(C(N)=O)C1 850712957 XZKGXIVOHAYFRT-HNNXBMFYSA-N 309.366 -0.791 30 20 DBED C#CC[C@@H](CO)NC(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 854547495 WNJSOXJZXDSWJU-JSGCOSHPSA-N 301.346 -0.070 30 20 DBED CCCN1C(=O)C(=O)N(CN2CCN(CCC#N)CC2)C1=O 872735541 QVVSLVIEORMFDP-UHFFFAOYSA-N 307.354 -0.324 30 20 DBED C#CCCCc1nnc(N2CC[C@@H](CS(N)(=O)=O)C2)n1C 908528942 CMJICAJNYXKNQU-LLVKDONJSA-N 311.411 -0.114 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(C/C(C)=C/C(=O)OC)c1=O 916231850 YAQSLGKMJOBRNW-PKNBQFBNSA-N 321.333 -0.337 30 20 DBED C#CC1(O)CN(CC(=O)Nc2ccccc2SCC(N)=O)C1 934442004 WJHOVQVOVLHBMZ-UHFFFAOYSA-N 319.386 -0.118 30 20 DBED O=C(CN1CCCC1=O)N[C@@H]1CCN(C(=O)C#CC2CC2)C1 939335699 PIRQMLKRRPPSLM-CYBMUJFWSA-N 303.362 -0.261 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)c3cnon3)C2)[nH]1 940062587 GDWUQLCSYKNCOW-SECBINFHSA-N 300.278 -0.086 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C2CN(CC(=O)N(C)C)C2)CC1 941348619 QJRGXFRFXJTIMT-GFCCVEGCSA-N 307.398 -0.937 30 20 DBED CO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1NC(=O)c1n[nH]c(C)c1O 941546475 NJXYJUMPWVCYIA-SZEHBUNVSA-N 321.337 -0.461 30 20 DBED CO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1NC(=O)c1ccn(C)n1 941856389 SNCYDXJBYTXQRX-MVWJERBFSA-N 305.338 -0.465 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H]2CCCCN(C(=O)CC(N)=O)C2)c1 943171895 VOMSNIARZULQQE-NSHDSACASA-N 317.349 -0.127 30 20 DBED CC#CCN1CC[C@H](NC(=O)Cn2ccc(O)nc2=O)C[C@@H]1C 947510155 JBWSXYOKVNLPSA-STQMWFEESA-N 318.377 -0.059 30 20 DBED CC[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)CC[C@@H]1NC(=O)C(N)=O 948386556 VSTNQJXKIQKTGD-CABZTGNLSA-N 317.349 -0.271 30 20 DBED C=CCN1CCOC2(CCN(C(=O)[C@@H]3CNC(=O)N3)CC2)C1 949455143 UAEOWQHBGDIIQH-LBPRGKRZSA-N 308.382 -0.453 30 20 DBED C#Cc1ccc(C(=O)N2CC(N(C)C(=O)Cn3cnnn3)C2)cc1 953693179 JPRZVMAZHXOLFX-UHFFFAOYSA-N 324.344 -0.363 30 20 DBED CCN(C(=O)c1cn([C@H]2CCOC2)nn1)C1CN(CC#N)C1 957111573 PODPDBUHCWTBDB-NSHDSACASA-N 304.354 -0.091 30 20 DBED Cn1ncc(C(=O)N[C@]2(C)CCN(C(=O)C#CC3CC3)C2)n1 957203613 JJSKYCJFADPESG-OAHLLOKOSA-N 301.350 -0.051 30 20 DBED C#CCCN1C[C@@H](O)[C@H](CNC(=O)c2ncc(OC)cn2)C1 958242528 CYXWOECDNORDOM-DGCLKSJQSA-N 304.350 -0.469 30 20 DBED C=CCN1C[C@@H](O)[C@@H](CNC(=O)c2cc(=O)c(OC)co2)C1 958263569 QYAHQDITDXAWOC-CMPLNLGQSA-N 308.334 -0.143 30 20 DBED C#CCCN1C[C@@H](O)[C@@H](CNC(=O)c2cccc(=O)n2C)C1 958394706 IIVTXVMVLHIZJJ-GXTWGEPZSA-N 303.362 -0.569 30 20 DBED CC#CCN1C[C@H](O)[C@H](CNC(=O)c2cc(C(N)=O)c[nH]2)C1 958525229 GWWGNBNQMPZWKO-YPMHNXCESA-N 304.350 -0.841 30 20 DBED C=CCCN1C[C@H](O)[C@H](CNC(=O)c2ccc(=O)n(C)n2)C1 958650330 VUNNVEPNJPEMGU-YPMHNXCESA-N 306.366 -0.621 30 20 DBED CCn1nccc1C(=O)N(C)[C@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1O 958832104 SKFGDRQGWDKHQB-DRZSPHRISA-N 319.365 -0.294 30 20 DBED N#Cc1ccc(C(=O)N2C[C@@H]3CN(C(=O)CC(N)=O)C[C@@H]3C2)[nH]1 961207613 KORXUXCXVCEORI-AOOOYVTPSA-N 315.333 -0.708 30 20 DBED Cc1ncsc1C(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1O 961697977 GDNJEBBBXPHMCE-SFGNSQDASA-N 308.363 -0.087 30 20 DBED N#CCN1C[C@H]2C(NC(=O)c3ccc(-n4cnnn4)cc3)[C@@H]2C1 962479589 UOZBLGKTILXCPV-CHWSQXEVSA-N 309.333 -0.154 30 20 DBED C[C@H](C#N)C(=O)N1CC2(C1)CN(C(=O)[C@H]1CCCO1)CCO2 965299949 PPJSGLJUEATVPG-VXGBXAGGSA-N 307.350 -0.235 30 20 DBED C#CCN[C@@H]1CCN(C(=O)Cn2nnc(-c3ccco3)n2)C1 969170478 RJHIWVPWGAFRNI-LLVKDONJSA-N 300.322 -0.243 30 20 DBED CN1CCO[C@@H](C(=O)N2CC[C@]3(CN(CC#N)CCO3)C2)C1 972314328 CNANRKNAGKSTGN-HIFRSBDPSA-N 308.382 -0.856 30 20 DBED CC#CCN1CCO[C@]2(CCN(C(=O)[C@H]3CCN(C)C3=O)C2)C1 972506577 LMUCGDLTAZRPOH-WMLDXEAASA-N 319.405 -0.209 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CN(C(=O)c2cnn(C)n2)C1 992026837 HRQUIRITOWONBL-AAEUAGOBSA-N 319.365 -0.263 30 20 DBED C#CCCN1CCC[C@@H](NC(=O)CN2C(=O)CNC2=O)[C@H]1C 994359646 BCBSDHPGUJTVEF-VXGBXAGGSA-N 306.366 -0.469 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](NCc2nc(=O)n(C)[nH]2)C(C)(C)C1 995562710 OHMUPUOBKKBZRO-VHSXEESVSA-N 306.370 -0.405 30 20 DBED Cn1c(C(=O)NC2CN(C(=O)c3c[nH]c(C#N)c3)C2)cnc1O 997429343 KDZJOOWAXQDOMG-UHFFFAOYSA-N 314.305 -0.420 30 20 DBED C#Cc1cncc(C(=O)N2CC(NC(=O)c3c[nH]c(=O)cn3)C2)c1 998573272 KMEDQWRFGAPQKL-UHFFFAOYSA-N 323.312 -0.599 30 20 DBED C#CCN1CC[C@@H](n2cc(CNC(=O)c3cn(C)cn3)nn2)C1 999981242 QPIIWHYVOKDOQO-CYBMUJFWSA-N 313.365 -0.178 30 20 DBED CN1CCOC[C@@H]1C(=O)NCC1CN(C(=O)C#CC2CC2)C1 1001494641 VTZCANGLMNXRJH-CQSZACIVSA-N 305.378 -0.695 30 20 DBED Cn1ncc(C(=O)NCC2CN(C(=O)c3ccc(C#N)[nH]3)C2)n1 1003227222 NIWANTSIFGCALJ-UHFFFAOYSA-N 313.321 -0.483 30 20 DBED C#CCN1CCC(NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)CC1 1003806015 IMIZVIBUHDWKDE-UHFFFAOYSA-N 314.349 -0.715 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CC[C@H]1CN2C(=O)CS(C)(=O)=O 1007168250 NLAUYVFUEUFPLF-MXWKQRLJSA-N 313.379 -0.608 30 20 DBED C#Cc1ccc(C(=O)N2C[C@H](NC(=O)C(N)=O)C(C)(C)C2)cn1 1008523653 WHALGMGSOIAZEM-LBPRGKRZSA-N 314.345 -0.485 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2C[C@H](C)N(C(=O)C(N)=O)C2)nc1 1013966033 JLOHEGADYISYSZ-GXSJLCMTSA-N 300.318 -0.733 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H](C(=O)N2CCN(CCO)CC2)C1 1018364658 WWURPGRILYBCTD-KGLIPLIRSA-N 322.409 -0.479 30 20 DBED C=CCn1cc(C(=O)N2C[C@@H](NC(=O)C(N)=O)CC[C@H]2C)nn1 1018377593 DLMNIFRKUXRRQG-ZJUUUORDSA-N 320.353 -0.941 30 20 DBED C#CCN[C@H]1CCN(C(=O)c2cnc3c(c2)NC(=O)CO3)C1 1019097002 OWXNPVZKWSEKPK-NSHDSACASA-N 300.318 -0.150 30 20 DBED C#CCN1[C@H]2CC[C@H]1CC(NC(=O)c1nnc(O)nc1O)C2 1021312223 BYTDDTHDQZOUEZ-UWVGGRQHSA-N 303.322 -0.359 30 20 DBED N#CCN1CC[C@@H]2[C@H](CCCN2C(=O)CCn2cnnn2)C1 1021700146 OCNCYDITWSIUPI-CHWSQXEVSA-N 303.370 -0.100 30 20 DBED CCn1cc(C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2O)cn1 1023227177 RLXLSPXOSHNQCQ-ZIAGYGMSSA-N 316.361 -0.382 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)Cc3ncc[nH]3)C2)C1=O 1031145083 JISRPEJOPGRSJN-LBPRGKRZSA-N 303.366 -0.461 30 20 DBED Cc1nc(O)c(C(=O)NC[C@H]2CN(CC#N)CCO2)nc1C 1035415200 LGZYUFLFUCQZFE-NSHDSACASA-N 305.338 -0.247 30 20 DBED N#CCN1CCO[C@@H](CNC(=O)c2cn3cccnc3n2)C1 1035434426 YKBCRZZLHSMQEZ-NSHDSACASA-N 300.322 -0.317 30 20 DBED CC(C)N1CCO[C@H](C(=O)NC[C@@H]2CN(CC#N)CCO2)C1 1035484326 ZPGDPOKBQYYTBO-KGLIPLIRSA-N 310.398 -0.564 30 20 DBED C#CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)Cc1nnn(C(C)(C)C)n1 1037414143 ILOSOVULFCSJAR-SUNKGSAMSA-N 302.382 -0.207 30 20 DBED C=C(Cl)CN1C[C@H]2C[C@H]1[C@@H]2NC(=O)Cn1cnc(C(N)=O)n1 1037415485 IZQNEXHYBPGRAT-WCABBAIRSA-N 324.772 -0.682 30 20 DBED C=C(C)CCC(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2CCC(=O)N2)C1 1039986814 IANNUOANFMYKNE-BLLLJJGKSA-N 323.393 -0.299 30 20 DBED C#CCOCCC(=O)N1CC[C@@](O)(CNC(=O)c2cc[nH]c2)C1 1040087660 INZSHROVFKOPMQ-MRXNPFEDSA-N 319.361 -0.252 30 20 DBED C=C1CC(C)(C(=O)NC[C@]2(O)CCN(C(=O)CC(N)=O)C2)C1 1040850406 MOIBDZXFRSRNPC-OAHLLOKOSA-N 309.366 -0.702 30 20 DBED N#Cc1cnccc1N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCOC2)C1 1040938057 BWUCXJDHLHJTEA-ZKYQVNSYSA-N 302.334 -0.345 30 20 DBED CC(C)C#CC(=O)N1CC[C@@](O)(CNC(=O)Cn2cncn2)C1 1040962210 IVPNCWYNYJFIQM-OAHLLOKOSA-N 319.365 -0.983 30 20 DBED N#Cc1cnc(N2C[C@@H](O)[C@H](NC(=O)c3nc[nH]n3)C2)c(F)c1 1041133895 MCIWYTJBPMURDB-NXEZZACHSA-N 317.284 -0.810 30 20 DBED C[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1NC(=O)[C@@H]1COCCO1 1041787100 NQMKHUJTFJCCMQ-RTXFEEFZSA-N 317.349 -0.295 30 20 DBED CC[C@@H](OC)C(=O)NCC1(O)CN(C(=O)c2ccc(C#N)[nH]2)C1 1041905249 RRDAWFJROBSKIK-GFCCVEGCSA-N 320.349 -0.386 30 20 DBED COC[C@H](C)C(=O)NCC1(O)CN(C(=O)c2ccc(C#N)[nH]2)C1 1042030557 BMAGKMIYCFXAPV-JTQLQIEISA-N 320.349 -0.528 30 20 DBED C#CCN1CC[C@@H]2CCN(C(=O)C3CC(=O)NC(=O)C3)C[C@@H]21 1042268400 CSYFOHSMRNWTRQ-YPMHNXCESA-N 303.362 -0.405 30 20 DBED C=CCCOCC(=O)N1CC(O)(CNC(=O)c2coc(C)n2)C1 1042748061 RMAKAMHYXYAMQB-UHFFFAOYSA-N 323.349 -0.121 30 20 DBED CO[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1NC(=O)c1cnco1 1042937748 DGOMVKDGQCWOMD-ZYHUDNBSSA-N 314.305 -0.030 30 20 DBED CCCCOCC(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042958957 QCXQANQMQVQVIV-UHFFFAOYSA-N 308.378 -0.094 30 20 DBED C=C(C)CCC(=O)NCC1(O)CN(C(=O)C(=O)NCC2CC2)C1 1043310370 HDVFCJZJUNAXRU-UHFFFAOYSA-N 323.393 -0.442 30 20 DBED C=CCCCC(=O)N1CC(O)(CNC(=O)C[C@@H]2CCC(=O)N2)C1 1043842805 UDZBJDMHEXBMAM-LBPRGKRZSA-N 323.393 -0.299 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)[C@H]2CCNC(=O)CC2)C1 1044060028 NQUANSLNMRUYGZ-GFCCVEGCSA-N 323.393 -0.442 30 20 DBED C=C(C)CCC(=O)N1CC(O)(CNC(=O)[C@@H]2CN(C)C(=O)N2)C1 1044475099 LFIALENKZYQVOX-NSHDSACASA-N 324.381 -0.944 30 20 DBED C[C@H]1C[C@H](NCC#N)CCN1C(=O)CN1CCC(=O)NC1=O 1044811983 AINHMAMGJRUOFT-WDEREUQCSA-N 307.354 -0.579 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)C2(N(C)C)CCC2)C1 1045551566 JRFDFBCQKQTUHK-NSHDSACASA-N 308.382 -0.680 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]2CC[C@@H](C1)N2Cc1nnn(C)n1 1045733696 NSPFPCMASCZVST-UTUOFQBUSA-N 303.370 -0.065 30 20 DBED Cc1nonc1CC(=O)N1CCN([C@H]2CCN(CC#N)C2)CC1 1046074255 WHHXMGAMAGFBOF-ZDUSSCGKSA-N 318.381 -0.337 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)[C@H](COC)OC)C1 1046243700 LICXHEXTYHFSEV-NSHDSACASA-N 314.382 -0.451 30 20 DBED CC#CCN1CCOC[C@@H]1CNC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1051041309 WWECJHBALWULJU-YHUYYLMFSA-N 322.405 -0.122 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2COCCN2CC(=O)NC)cc1 1051057884 NDYMODLJXHQKEF-OAHLLOKOSA-N 315.373 -0.156 30 20 DBED C=C(Cl)CN1CCOC[C@H]1CNC(=O)[C@H]1CN(C)C(=O)N1 1051064678 RFIYWHGOVGDPLX-GHMZBOCLSA-N 316.789 -0.421 30 20 DBED C#CCCN1CCOC[C@@H]1CNC(=O)[C@H]1CCCCC(=O)N1 1051109771 OCEFTFBDANIAOX-UONOGXRCSA-N 307.394 -0.115 30 20 DBED CC#CCN1CCOC[C@@H]1CNC(=O)[C@H]1CCCCN1C(N)=O 1051200683 BMDQUMZNHIPQGP-UONOGXRCSA-N 322.409 -0.240 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)C[C@@H]1CCNC1=O)CCO2 1053285343 SCYGCEVBYQBMTB-ZDUSSCGKSA-N 305.378 -0.551 30 20 DBED C=CCCN1CC2(C1)CN(C(=O)CN1CC(=O)NC1=O)CCO2 1053474330 JHBXBIUZDGTOFZ-UHFFFAOYSA-N 322.365 -0.973 30 20 DBED C#Cc1ccc(C(=O)N2CCOC3(CN(CC(N)=O)C3)C2)cn1 1053512698 WNDXPFNOMIJODC-UHFFFAOYSA-N 314.345 -0.925 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)[C@@H]3CCc4n[nH]cc4C3)CO2)C1 1053981566 OMNXEFNYELPSRL-YPMHNXCESA-N 315.377 -0.002 30 20 DBED COC(=O)[C@H]1C[C@@H]1C(=O)N1CCN(c2cnc(C#N)cn2)CC1 1055735203 KTLYEQGEADCIHV-RYUDHWBXSA-N 315.333 -0.194 30 20 DBED C=CCCOCC(=O)NCCN(CCO)C(=O)COC(C)C 1057137729 QMRWXWPRSPUCAJ-UHFFFAOYSA-N 316.398 -0.059 30 20 DBED CCCOCC(=O)N(CCO)CCNC(=O)c1c[nH]c(C#N)c1 1057139014 VIJPDWLDYXVCBO-UHFFFAOYSA-N 322.365 -0.136 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)c1cncnc1C 1057193333 DOUNUQLOWNFJGR-UHFFFAOYSA-N 322.365 -0.462 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)[C@H]1CO[C@H](C)C1 1057198087 ODOMRPNEBINPDU-CHWSQXEVSA-N 314.382 -0.449 30 20 DBED C#CCNC(=O)CC(=O)N(CCO)CCNC(=O)C1(C)CCC1 1057394324 OIXLTRDSMQOYHQ-UHFFFAOYSA-N 323.393 -0.747 30 20 DBED C[C@H]1OCC[C@@H]1C(=O)NCCN(CCO)C(=O)C#CC1CC1 1057533469 OYADWGNZKIIUPH-OCCSQVGLSA-N 308.378 -0.238 30 20 DBED C=CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)c1[nH]cnc1C 1058064659 IKEBWLZKGAETFY-LBPRGKRZSA-N 324.381 -0.140 30 20 DBED N#Cc1cnc(N2CCC[C@@H](NC(=O)[C@@H]3CCC(=O)N3)C2)cn1 1058180775 VOVFCXSPUOJPBX-PWSUYJOCSA-N 314.349 -0.288 30 20 DBED N#Cc1cncc(N2CC[C@@H](NC(=O)C[C@H]3CCC(=O)N3)C2)n1 1058396164 GKTJNRVLAOVQGD-GHMZBOCLSA-N 314.349 -0.288 30 20 DBED N#Cc1cnc(N2CC[C@@H](NC(=O)[C@H]3CCCNC3=O)C2)cn1 1058467454 MIBCJRDXLGSTQL-PWSUYJOCSA-N 314.349 -0.431 30 20 DBED COc1ccc(C(=O)NCCN(CCO)C(=O)[C@H](C)C#N)nn1 1058657081 PTWYKKSFUQHWNK-SNVBAGLBSA-N 321.337 -0.804 30 20 DBED N#Cc1cnc(N[C@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)C2)cn1 1059049499 RJBLWAAUPUICSX-WPRPVWTQSA-N 301.310 -0.958 30 20 DBED N#Cc1nccnc1N1CCC[C@@H]1CNC(=O)[C@@H]1COCCO1 1061299909 XGOYRDFAINUEET-YPMHNXCESA-N 317.349 -0.151 30 20 DBED N#Cc1nc(=NC[C@@H]2CCCN2C(=O)[C@@H]2COC(=O)N2)cc[nH]1 1064902798 VYYXRFHLEKTSSO-UWVGGRQHSA-N 316.321 -0.719 30 20 DBED C=CCCC(=O)N1CCO[C@H](CNC(=O)[C@@H](C)NC(C)=O)C1 1064953663 KSOFXASFMXJXNO-DGCLKSJQSA-N 311.382 -0.179 30 20 DBED C=CCCC(=O)N1CCO[C@@H](CNC(=O)[C@H]2CCCC(=O)N2)C1 1064961965 WBLFKYLGOQZUEF-QWHCGFSZSA-N 323.393 -0.035 30 20 DBED C=CCOCC(=O)N1CCO[C@H](CNC(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1064972309 UJULUKZQGJXUQL-CXTNEJHOSA-N 324.377 -0.575 30 20 DBED C=C(C)CCC(=O)N1CCO[C@H](CNC(=O)[C@H]2CCC(=O)N2)C1 1065220352 NBJDVSGMFDLNTL-CHWSQXEVSA-N 323.393 -0.035 30 20 DBED N#Cc1cnc(NC[C@H]2C[C@H](NC(=O)[C@@H]3COC(=O)N3)C2)cn1 1068481260 IOGINKATMBWMLR-QXEWZRGKSA-N 316.321 -0.237 30 20 DBED C#CCCCC(=O)N[C@H]1COC2(C1)CN(C(=O)c1nc[nH]n1)C2 1068836975 QQSNQCJPLWMQJY-LLVKDONJSA-N 317.349 -0.292 30 20 DBED Cc1nc(C)c(C(=O)N[C@@H]2CN(CC#N)C[C@@H]2n2ccnn2)[nH]1 1070024602 YBGVQFLAIKGDOU-NEPJUHHUSA-N 314.353 -0.203 30 20 DBED C#CCN[C@@H]1CN(C(=O)C23CCN(CC2)C3)C[C@@H]1n1ccnn1 1070311057 LUKNEECLVMXUNR-KGLIPLIRSA-N 314.393 -0.651 30 20 DBED C=CCOCC(=O)N[C@H]1CN(C(=O)C2CN(C(C)=O)C2)C[C@@H]1C 1071978972 OECVGVVSXCPJCC-FZMZJTMJSA-N 323.393 -0.370 30 20 DBED C[C@@H]1CN(C(=O)CC#Cc2ccccc2)C[C@H]1NC(=O)C(N)=O 1072206848 YGWPTGZRKUUZRA-TZMCWYRMSA-N 313.357 -0.123 30 20 DBED C[C@H]1CN(C(=O)C(=O)NCC2CC2)C[C@H]1NC(=O)C#CC1CC1 1072611092 LJUIQORWPHQDED-SMDDNHRTSA-N 317.389 -0.111 30 20 DBED C#CCN1CCC2(C1)CN(C(=O)Cc1nc3ncccn3n1)C2 1073426156 RZIUZONSCRDUOY-UHFFFAOYSA-N 310.361 -0.166 30 20 DBED CC(C)N1CCO[C@H](C(=O)NC[C@@H]2CN(CC#N)CCCO2)C1 1073741482 UNLSSSPHKBSULZ-CABCVRRESA-N 324.425 -0.174 30 20 DBED C#CCN1CCC(C(=O)N[C@@H]2CN([C@H](C)COC)C[C@H]2O)CC1 1078227245 PWPKHZUHBGKOMS-FVQBIDKESA-N 323.437 -0.472 30 20 DBED C=CCn1cc(C(=O)N[C@H]2C[C@H](NCC(N)=O)C23CCC3)nn1 1078743653 GQLGSDANOQONAP-RYUDHWBXSA-N 318.381 -0.420 30 20 DBED C#CCNC(=O)CC(=O)N1CC(N(CC)C(=O)[C@H]2CC23CC3)C1 1080624585 UTAGLRQFGVPMEV-CYBMUJFWSA-N 317.389 -0.015 30 20 DBED Cc1cnoc1C(=O)N1C[C@@H](O)[C@@H](CNC(=O)C#CC2CC2)C1 1081472549 ZHBMLRBDPABRKJ-QWHCGFSZSA-N 317.345 -0.054 30 20 DBED C#CCCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)CC(=O)N(C)C)C1 1081495772 ASVRKNGEAJWROU-CHWSQXEVSA-N 323.393 -0.796 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@H](CNC(=O)CC(=O)N(C)C)C1 1081497616 YZKJGJVUHNIVRZ-OLZOCXBDSA-N 323.393 -0.940 30 20 DBED C=CCCOCC(=O)NC[C@@H]1CN(C(=O)CCOC)C[C@@H]1O 1081569146 KXWSDOAUVNRLFX-OLZOCXBDSA-N 314.382 -0.449 30 20 DBED C=CCCN1C[C@@H](NC(=O)CN2CCCNC2=O)[C@H](OC)C1 1081892104 MLVFAOIENBMOEI-CHWSQXEVSA-N 310.398 -0.207 30 20 DBED C=CCOCC(=O)N1CCCC[C@H]1CNC(=O)C1(C(N)=O)CC1 1081957794 IDWRJIKYWBKYJC-LBPRGKRZSA-N 323.393 -0.048 30 20 DBED C#CCN1C[C@@H](NC(=O)c2cccc(C(=O)NC)n2)[C@H](OC)C1 1082349915 XWWDXJPYPIODBE-ZIAGYGMSSA-N 316.361 -0.497 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](NCCN2C(=O)CNC2=O)[C@H](C)C1 1082451044 OOWJFJUBLQGARR-GMTAPVOTSA-N 307.354 -0.866 30 20 DBED Cn1nncc1CN1C[C@H]2[C@@H](C1)OCCN2C(=O)C#CC1CC1 1083078287 WHGDQUDCSYUVRP-LSDHHAIUSA-N 315.377 -0.360 30 20 DBED CN1C[C@@H](C(=O)N2CCO[C@@H]3CN(CC#N)C[C@@H]32)CCC1=O 1083285394 PFPVUCQPKLLGJA-RWMBFGLXSA-N 306.366 -0.710 30 20 DBED C=CCN1CC[C@@H](N2C[C@H](O)[C@H](NC(=O)CC3CC3)C2)C1=O 1083307706 SECANZUJXVPKHK-MCIONIFRSA-N 307.394 -0.265 30 20 DBED C[C@H](C(=O)N(C)C)N1C[C@H](O)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 1083418297 CIMLEBTXDZRCHF-WQAKAFBOSA-N 319.365 -0.862 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)c2ccn(CCN(C)C)n2)C1 1083469396 RHPGNVQUQZIFCG-KGLIPLIRSA-N 307.398 -0.594 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCCN(C(N)=O)C2)C1 1083620076 SWAQTXDHDZWDFG-XQQFMLRXSA-N 310.398 -0.486 30 20 DBED C=CCN[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1c1cnn(C)c1 1086991195 QBGOTBPWXLTUNF-NWDGAFQWSA-N 316.369 -0.673 30 20 DBED C[C@@H](C[C@H](C)NC(=O)CNC(N)=O)N=c1cc[nH]c(C#N)n1 1089216060 UCUWBEWNUPKFHQ-IUCAKERBSA-N 305.342 -0.866 30 20 DBED CCN(c1ccc(C#N)nc1)[C@H](C)CNC(=O)CNC(N)=O 1089572022 SYAJGMSDPQQVRJ-SNVBAGLBSA-N 304.354 -0.047 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(c2ccc(C)nn2)C[C@H]1O 1090408210 MOHKPOGHUGUXCF-LALPHHSUSA-N 306.366 -0.222 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@H]1O 1090408288 OOUUYIMVFGVJPF-XJKCOSOUSA-N 316.361 -0.054 30 20 DBED CC(C)[C@@H](O)C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1O 1090408505 SWDFCSAGWIHLAO-NQBHXWOUSA-N 305.338 -0.969 30 20 DBED C=CCN1CC[C@H](NC(=O)c2cccnc2C(N)=O)[C@@H](O)C1 1090823648 HTEMLHUFCIGJTA-RYUDHWBXSA-N 304.350 -0.469 30 20 DBED CC(=O)NCC(=O)N[C@H]1[C@@H]2CN(c3ccc(C#N)c(C)n3)C[C@@H]21 1093215736 PEIGNHRXQWEBCI-VIKVFOODSA-N 313.361 -0.051 30 20 DBED CC(=O)NCC(C)(C)C(=O)NCCN=c1cc[nH]c(C#N)n1 1093737792 ILFIPKNWITWJAF-UHFFFAOYSA-N 304.354 -0.539 30 20 DBED CCNC(=O)CCCC(=O)NCCN=c1cc[nH]c(C#N)n1 1093756839 SPAMERYEWRRAQI-UHFFFAOYSA-N 304.354 -0.395 30 20 DBED COC(=O)[C@@H]1C[C@H]1C(=O)NCCCN=c1cc[nH]c(C#N)n1 1094327953 DHDOJAKNXKZKRO-NXEZZACHSA-N 303.322 -0.503 30 20 DBED C=CCN1CCN(C(=O)c2cnc(C)[nH]2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094614794 OXKGJIDPHTUWDT-QWHCGFSZSA-N 324.406 -0.172 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)c3c(C)noc3C)CC2=O)C1 1094703810 OSGSMTIDUBDKMA-GFCCVEGCSA-N 316.361 -0.060 30 20 DBED C=C(C)CN1CC(N2C[C@@H](NC(=O)[C@@H]3COCCO3)CC2=O)C1 1094709554 LLMGRKVBOARPLQ-JSGCOSHPSA-N 323.393 -0.621 30 20 DBED Cc1nnccc1C(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1 1094753514 MKTQPMDQASPJGY-NSHDSACASA-N 314.349 -0.677 30 20 DBED CCn1ccc(C(=O)N[C@@H]2CC(=O)N(C3CN(CC#N)C3)C2)n1 1094792288 OPCWISWADVQKOE-LLVKDONJSA-N 316.365 -0.559 30 20 DBED CN(CCCNC(=O)[C@@]1(C)CNC(=O)C1)c1nccnc1C#N 1095681811 MMDKARDEPSMOIM-OAHLLOKOSA-N 316.365 -0.183 30 20 DBED CCC(=O)NCC(=O)N1CC[C@H](Nc2cnc(C#N)cn2)C1 1096927724 SDSBNGBBZIFISH-JTQLQIEISA-N 302.338 -0.113 30 20 DBED Cc1cc(C#N)nc(N[C@H]2C[C@H](NC(=O)[C@H](C)NC(N)=O)C2)n1 1097013353 AETHIZXEHCTPGL-GUBZILKMSA-N 317.353 -0.227 30 20 DBED C#CCCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1CCC(=O)NC1=O 1098165548 IMDWYLIWCJSTQG-UPJWGTAASA-N 318.377 -0.327 30 20 DBED C=CCN(CCO)C1CCN(C(=O)CCNC(=O)NC)CC1 1098362499 QFDBYZURBQFXGJ-UHFFFAOYSA-N 312.414 -0.223 30 20 DBED CNC(=O)CN1CCC2(CC1)CN(C(=O)[C@@H](C)C#N)C[C@H](C)O2 1098574459 LRDSLVZEERQYHW-STQMWFEESA-N 322.409 -0.026 30 20 DBED N#CCN1C[C@@H]2CCC[C@]2(NC(=O)CN2CC(=O)NC2=O)C1 1099083822 WARUXLDSPSKGKV-HZMBPMFUSA-N 305.338 -0.968 30 20 DBED C[C@@H](CCNC(=O)CCNC(N)=O)Nc1cnc(C#N)cn1 1099142414 XUHRVBFHZXJQLX-VIFPVBQESA-N 305.342 -0.287 30 20 DBED C#CCN1CC[C@H](NC(=O)CNC(=O)C2CCCC2)[C@@H](O)C1 1099846812 CCQFWVIDCLKZIP-KBPBESRZSA-N 307.394 -0.523 30 20 DBED Cc1occc1C(=O)NCC(=O)N[C@@H]1CCN(CC#N)C[C@@H]1O 1099847493 NOFNJTIOOPHCQV-OLZOCXBDSA-N 320.349 -0.607 30 20 DBED CC#CCCCC(=O)N[C@@H]1CCN(CC(=O)NCC#N)C[C@H]1O 1099960198 PWGCTABFSAQLPD-ZIAGYGMSSA-N 320.393 -0.629 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)Cc2cnc[nH]2)[C@@H](O)C1 1100018798 XXESZAFNPKMPEB-KGLIPLIRSA-N 308.382 -0.294 30 20 DBED C=CCCOCC(=O)N[C@H]1CCN(Cc2nncn2C)C[C@@H]1O 1100136174 IPUXTYOSGDYYIE-STQMWFEESA-N 323.397 -0.541 30 20 DBED C=CCNC(=O)CNC1CC(CNC(=O)c2cc(=O)n(C)o2)C1 1100272738 ODSMVJFXQSTDIJ-UHFFFAOYSA-N 322.365 -0.622 30 20 DBED CCN(CCNC(=O)[C@@]1(C)CCNC1=O)c1ccnc(C#N)n1 1100716147 PYYDGUMSZVTYJS-HNNXBMFYSA-N 316.365 -0.183 30 20 DBED COCC(=O)N(C)CC(=O)N(C)CCNc1cnc(C#N)cn1 1102000031 XTUSVOGLCNHFSP-UHFFFAOYSA-N 320.353 -0.677 30 20 DBED CC#CCN1C[C@@H](C)[C@H](CNC(=O)CCNC(=O)COC)C1 1102019719 XPAGKWOZYVHFJP-ZIAGYGMSSA-N 309.410 -0.154 30 20 DBED CC[C@@H](CNC(=O)[C@H]1COCCN1C)Nc1cnc(C#N)cn1 1103036501 MWDOLPNEDLISIF-WCQYABFASA-N 318.381 -0.014 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CN(c2ncnc3[nH]cnc23)CCO1 1104302045 OWLPSCGJPPMTEB-VHSXEESVSA-N 315.337 -0.166 30 20 DBED COC(=O)NCC(=O)N(C)[C@@H](C)CNc1nccnc1C#N 1104475748 STLPRBXFEAAJAH-VIFPVBQESA-N 306.326 -0.037 30 20 DBED C[C@H](CNc1nccnc1C#N)N(C)C(=O)[C@@H]1CCC(=O)N1 1104642466 DQZXIJXIIYAZDQ-ZJUUUORDSA-N 302.338 -0.114 30 20 DBED COCC#CCNCC[C@@H]1CN(C(=O)CCNC(N)=O)C[C@H]1C 1104990251 OFSUUBBWNSAAET-ZIAGYGMSSA-N 324.425 -0.231 30 20 DBED CC(=O)N1CCOC[C@@H]1C(=O)N1C[C@@H](C)[C@H](CCNCC#N)C1 1105033736 FJASGGONSRBEBH-BPLDGKMQSA-N 322.409 -0.169 30 20 DBED C#CCNCc1cn(C2CN(C(=O)c3cnn(CC)n3)C2)nn1 1105230412 FWWHHDLDUFRZLH-UHFFFAOYSA-N 314.353 -0.691 30 20 DBED C[C@H](NC(N)=O)C(=O)N(C)CCN(C)c1ccc(C#N)cn1 1105379634 DEWACPVTFBQMKQ-JTQLQIEISA-N 304.354 -0.095 30 20 DBED COCC#CCNC1CCC2(CC1)CN(C(=O)C(N)=O)CCO2 1105479179 RZIMEKGTPJLYGV-UHFFFAOYSA-N 323.393 -0.749 30 20 DBED Cc1cc(C#N)nc(NC[C@H](O)CNC(=O)Cn2cccn2)n1 1105722331 MEXUWHPPLNXLDP-GFCCVEGCSA-N 315.337 -0.558 30 20 DBED C[C@@H]1CCN(CC(=O)NC[C@@H](O)CN=c2cc[nH]cc2C#N)C1 1106105861 YYBNNWRJDMZJDE-OCCSQVGLSA-N 317.393 -0.394 30 20 DBED CCc1n[nH]cc1C(=O)NC[C@H](O)CNc1cncc(C#N)n1 1106163352 PUIYZOBIVTVDMK-SNVBAGLBSA-N 315.337 -0.163 30 20 DBED C[C@@H](CCNc1ccc(C#N)nn1)NC(=O)[C@H]1CCNC1=O 1106516710 WPTQWHFYUGZQAA-ONGXEEELSA-N 302.338 -0.209 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)c1cncnc1O 1106873842 FQCZIPDIXWJPOI-UHFFFAOYSA-N 313.321 -0.160 30 20 DBED CNC(=O)CC(=O)NC/C=C/CN=c1cc(C)[nH]cc1C#N 1107166856 VASNCJWGPSBKCQ-ONEGZZNKSA-N 301.350 -0.096 30 20 DBED C=CCCN1CC(n2cc(CNC(=O)C(C)(C)C(N)=O)nn2)C1 1107180148 CTNBWMAEUNZDAE-UHFFFAOYSA-N 320.397 -0.161 30 20 DBED C[C@H](CC(=O)NC/C=C/CN=c1cc[nH]c(C#N)n1)NC(N)=O 1107351707 YINBDVDKSUHKNN-VMZHVLLKSA-N 317.353 -0.699 30 20 DBED C#CCCN1CCO[C@](C)(CNC(=O)CCn2ccnn2)C1 1107898117 XJPICEPVNDSWSI-OAHLLOKOSA-N 305.382 -0.101 30 20 DBED C[C@@H](CN=c1cc[nH]cc1C#N)NC(=O)C[C@H]1CC(=O)NC1=O 1108435564 GZHMACSWADCBIT-UWVGGRQHSA-N 315.333 -0.655 30 20 DBED C#CCCN1CC(N2C[C@@H](NC(=O)CCOCC#C)CC2=O)C1 1108545968 KYDOGZDHNZHFLK-AWEZNQCLSA-N 317.389 -0.549 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)CCc3cnn[nH]3)CC2=O)C1 1108578169 XOXGKBRRNUKAEU-GFCCVEGCSA-N 318.381 -0.675 30 20 DBED C[C@H](CN(C)c1cnc(C#N)cn1)NC(=O)[C@@H]1COC(=O)N1 1108926336 AWOZAIPJQRRCAA-SCZZXKLOSA-N 304.310 -0.602 30 20 DBED CC(C)C#CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2[C@@H](C)C(=O)NC(N)=O 1109249636 HKNSYKNQIQRXIC-RNJOBUHISA-N 320.393 -0.049 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(Nc2ccc3nnnn3n2)CC1 1110236588 PJFVDYPLPFWSJN-SNVBAGLBSA-N 315.337 -0.382 30 20 DBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H]1C[C@H]1C(N)=O 1111025336 XWRDCLVIOXIGDC-LBELIVKGSA-N 320.393 -0.869 30 20 DBED CO[C@H](C)C(=O)NC[C@H]1COCCN1c1ccnc(C#N)n1 1111656695 IEIMPCKOPFJRPR-MNOVXSKESA-N 305.338 -0.295 30 20 DBED CC(C)(O)CC(=O)NC[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1O 1112717596 LVUMFDRAKOWFCB-ZYHUDNBSSA-N 319.365 -0.577 30 20 DBED C#CCNC(=O)CC(=O)N1CCN(Cc2nccnc2C)CC1 1112777587 CZWYCGIAHYHAEL-UHFFFAOYSA-N 315.377 -0.431 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)C23CCCN2CCC3)CC1 1113067414 GMFXEULWTYUWSL-UHFFFAOYSA-N 319.409 -0.601 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H](C)N(C)c1nccnc1C#N 1113567328 PFKOGIWGZOEOBX-NSHDSACASA-N 314.349 -0.571 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@H]1[C@@H]2CN(CCNC(=O)C3CC3)C[C@@H]21 1114193541 CAYYEBGQGCNGAM-SHFYGJNESA-N 321.421 -0.114 30 20 DBED C=C(C)CCN1C[C@H]2C(NC(=O)CCn3ncn(C)c3=O)[C@@H]2C1 1114619348 UUYRKNWMMARJIF-CHWSQXEVSA-N 319.409 -0.016 30 20 DBED C#CCCN1C[C@H]2C(NC(=O)CCCN3C(=O)CNC3=O)[C@@H]2C1 1115218583 GMCGYAYEHOTBNJ-VXGBXAGGSA-N 318.377 -0.612 30 20 DBED C=CCC[C@@H](C)N1C[C@H]2[C@H](NC(=O)CS(=O)(=O)NC)[C@H]2C1 1115250566 YQWSFCVBCXGKPJ-NMKXLXIOSA-N 315.439 -0.063 30 20 DBED C#CCN1C[C@H]2[C@H](NC(=O)CCNC(=O)c3cnccn3)[C@H]2C1 1115261247 MUSRJDVMDHXJBM-JYAVWHMHSA-N 313.361 -0.724 30 20 DBED C=CCO[C@H](C)C(=O)N[C@H]1[C@@H]2CN(Cc3nc(=O)n(C)[nH]3)C[C@@H]21 1115331971 HMORWBNTBLRZDX-DCQANWLSSA-N 321.381 -0.754 30 20 DBED C#CCNC1(CNC(=O)[C@@H]2CC(=O)NC(=O)N2)CCCCC1 1115751161 PUJGRWFXHGBXIY-NSHDSACASA-N 306.366 -0.374 30 20 DBED CCn1cc(C(=O)N(C)C[C@@H](C)N=c2cc[nH]c(C#N)n2)nn1 1120043925 DGYJJPWHTMRMEF-SNVBAGLBSA-N 314.353 -0.046 30 20 DBED CC#CCn1nnnc1N1CCC(C(=O)N2CCOCC2)CC1 1120153341 GUOIHSKEUOEFOD-UHFFFAOYSA-N 318.381 -0.228 30 20 DBED Cc1cc(C(=O)NC[C@H](CO)Nc2ccc(C#N)nn2)nn1C 1121150749 QTVBPVAEDWXJJB-LLVKDONJSA-N 315.337 -0.407 30 20 DBED Cc1[nH]nc(C(=O)NC[C@H](CO)Nc2ccc(C#N)nn2)c1C 1121248418 ASUKKOSVXFYHIP-LLVKDONJSA-N 315.337 -0.109 30 20 DBED CN1CCO[C@H](C(=O)NC[C@H](CO)Nc2ccc(C#N)cn2)C1 1121248891 FDXQXIJRFQJUOE-OLZOCXBDSA-N 319.365 -0.827 30 20 DBED N#Cc1nc(=N[C@@H](CO)CNC(=O)[C@@H]2[C@H]3CCC[C@H]32)cc[nH]1 1121266596 WQHGLRLJAZPSCS-PUHVVEEASA-N 301.350 -0.295 30 20 DBED N#Cc1nccnc1N[C@H](CO)CNC(=O)C1=CCOCC1 1121340449 XMQKYKDEKMTBEJ-NSHDSACASA-N 303.322 -0.416 30 20 DBED CCn1ncc(C(=O)NC[C@H](CO)Nc2ccc(C#N)cn2)n1 1121472151 NRIOBEQMNDRVCT-LLVKDONJSA-N 315.337 -0.233 30 20 DBED Cc1ncn(C)c1C(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1 1122148388 VLNNMBOHZZXOOK-SNVBAGLBSA-N 315.337 -0.985 30 20 DBED COC1CC(C(=O)NC[C@H](CO)Nc2nc(C)cc(C#N)n2)C1 1122177109 KJPNOTFUTMWUCQ-YXMLORGKSA-N 319.365 -0.029 30 20 DBED Cc1cc(=N[C@@H](CO)CNC(=O)c2cncn2C)c(C#N)c[nH]1 1122219215 RZWMKNABDILHCE-GFCCVEGCSA-N 314.349 -0.380 30 20 DBED C[C@H]1C[C@H](Nc2ccc(C#N)nn2)CN1C(=O)CNC(N)=O 1123146183 IYIVDPPADOFNLH-WPRPVWTQSA-N 303.326 -0.582 30 20 DBED C[C@H]1[C@@H](NC(=O)CNC(N)=O)CCCN1c1cncc(C#N)n1 1123512890 HNWFGYGFMGILHH-ONGXEEELSA-N 317.353 -0.510 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]cc1C#N)C(=O)c1ccn(C)n1 1124353030 SNXRINZADPAAGI-LBPRGKRZSA-N 314.349 -0.346 30 20 DBED COCC[C@@H](C)C(=O)N(C)C[C@@H](O)CN=c1cc[nH]c(C#N)n1 1124363925 AJLAUYPORDHWQC-NEPJUHHUSA-N 321.381 -0.326 30 20 DBED N#Cc1c[nH]c(C(=O)NCCNCc2nnc3n2CCOC3)c1 1125390957 KWJKQCBXUHWLBT-UHFFFAOYSA-N 315.337 -0.472 30 20 DBED C#CCNC(=O)CC(=O)NCCNCCOc1ccccc1 1125998351 OZWPSAASXTZZGR-UHFFFAOYSA-N 303.362 -0.089 30 20 DBED COCCN(CCNC(=O)COC)c1nc(C)cc(C#N)n1 1126176070 DXVBAYPHZPDUNN-UHFFFAOYSA-N 307.354 -0.128 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)[C@H](O)C(C)C 1126636759 AXFVEGCXDQMWCL-GHMZBOCLSA-N 314.386 -0.891 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C[C@@H](C)O)C[C@@H]1n1ccnn1 1128812301 UVKICDNMROOEGY-UPJWGTAASA-N 309.370 -0.797 30 20 DBED COCC#CCNCCNC(=O)[C@@H](C)n1nnnc1C(C)(C)C 1129061099 KYWBMKBYNPKEEY-GFCCVEGCSA-N 322.413 -0.113 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1ccc2[nH]ccc2n1 1131273989 YQINLQPFPAVLDC-UHFFFAOYSA-N 300.322 -0.478 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@@H](C1CC1)N1CCCC1 1131790758 VEERNVICCDIPIB-OAHLLOKOSA-N 306.410 -0.684 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1cc2ccccc2nn1 1132153857 ORLNLUDIVOROMG-UHFFFAOYSA-N 312.333 -0.411 30 20 DBED Cc1n[nH]cc1C(=O)N[C@H]1CC[C@H](C)N(CC(=O)NCC#N)C1 1132214680 LXVLZJGKEBWTQQ-JQWIXIFHSA-N 318.381 -0.059 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)CC1=CCOCC1 1133398910 UDHIRMVETRXCNO-UHFFFAOYSA-N 324.381 -0.559 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1cc(C(F)F)[nH]n1 1133654674 NCGJEHNEBTZLRJ-UHFFFAOYSA-N 301.297 -0.031 30 20 DBED C[C@@H](C[C@H](C)NC(=O)C(C)(C)C(N)=O)NCC(=O)NCC#N 1134657497 KVEVSMNLSPHISL-UWVGGRQHSA-N 311.386 -0.989 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)CCc1cn(C)nc1C 1134719545 QVJMJUINZBJQRX-ZDUSSCGKSA-N 319.409 -0.495 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@H]1CCCCN1C(C)C 1134763463 ZPKGCARNCFCFDQ-CQSZACIVSA-N 308.426 -0.296 30 20 DBED C=CCn1cc(C(=O)NCCNC[C@@H]2CCc3ncnn32)nn1 1134973147 FNMYOOKUKKLLCP-NSHDSACASA-N 316.369 -0.438 30 20 DBED CC#CCN[C@@H](C)C[C@H](C)NC(=O)c1cnc(O)n(C)c1=O 1135166182 KHEMRXHXIOCIDL-QWRGUYRKSA-N 306.366 -0.004 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)CCOCCCOC 1147074903 CYDUNMDXRWMPQE-ZDUSSCGKSA-N 315.414 -0.174 30 20 DBED C=CCNC(=O)CN1CCC2(C1)CN(C(=O)CCN(C)C)C2 1148210736 UBQFJLJECYWHIX-UHFFFAOYSA-N 308.426 -0.225 30 20 DBED CC#CCN1CCCO[C@H](CNC(=O)CCNC(=O)NC)C1 1149681130 HGPXDEIWRKBSSA-CYBMUJFWSA-N 310.398 -0.464 30 20 DBED C#CCNC(=O)CN1CCCO[C@H](CNC(=O)[C@H]2C[C@@H]2C)C1 1150085524 PGKWQUZCFFZJHQ-MJBXVCDLSA-N 307.394 -0.401 30 20 DBED N#CCN1CCCO[C@@H](CNC(=O)C(=O)NCC(F)(F)F)C1 1150515771 DBQKBKMOGKWLIK-VIFPVBQESA-N 322.287 -0.604 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1scnc1Cl 1151214353 YUMWZCZYAUTIKJ-UHFFFAOYSA-N 300.771 -0.135 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)c1ccc(O)nn1 1154394856 QIPOPYZJBIGKJY-SNVBAGLBSA-N 307.354 -0.418 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)CCc1ccn(C)n1 1159100751 WWKFTFBPJYZLEH-ZDUSSCGKSA-N 319.409 -0.414 30 20 DBED COCC#CCNCCCNC(=O)[C@H]1CCCCS1(=O)=O 1159839266 WOLUYNAECGDROE-CYBMUJFWSA-N 316.423 -0.301 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)c1c(C)ncn1C 1160452536 OQZDEVWNSVRROX-GFCCVEGCSA-N 305.382 -0.424 30 20 DBED COCC#CCNCCCNC(=O)c1nc(OC)cc(OC)n1 1161018392 CMQXGZVXGFHNPY-UHFFFAOYSA-N 322.365 -0.147 30 20 DBED N#Cc1ccc(CNCCCNC(=O)[C@@H]2CNC(=O)N2)cc1 1165467755 PHNSLYWEKBHPJW-ZDUSSCGKSA-N 301.350 -0.164 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCCCNCCN1C(=O)CCC1=O 1166992973 GFUIXTQCHBXSHJ-OLZOCXBDSA-N 323.393 -0.178 30 20 DBED Cc1noc(C)c1CC(=O)NCCCNCC(=O)NCC#N 1175875854 UBCMGAMZGLVZBF-UHFFFAOYSA-N 307.354 -0.430 30 20 DBED CC#CCN1CCO[C@@H]2CCN(C(=O)CCNC(N)=O)C[C@H]21 1177142952 ABZPDNWEFUKNEG-CHWSQXEVSA-N 308.382 -0.630 30 20 DBED N#Cc1cc(C(=O)N2CC[C@@H](NCC(=O)NC3CC3)C2)c[nH]1 1182120733 GDNWJNPCYUUWEK-GFCCVEGCSA-N 301.350 -0.031 30 20 DBED C#CCC1(C(=O)N2CC[C@@H](N[C@@H](C)C(=O)NC(N)=O)C2)CCC1 1183199558 ALXLGSKXMFXEQI-NWDGAFQWSA-N 320.393 -0.046 30 20 DBED C#CCNC(=O)CNC[C@@H]1CCN(C(=O)c2cn[nH]c2)C[C@H]1C 1183914061 UZZLFNPWXMXTPR-OLZOCXBDSA-N 317.393 -0.153 30 20 DBED C#CCCNC[C@@H]1CCN(C(=O)Cn2c(O)nnc2O)C[C@@H]1C 1185576307 ZVWUNHRMPLVCKH-RYUDHWBXSA-N 321.381 -0.213 30 20 DBED C#CCCN[C@@H]1CCN(C(=O)CS(=O)(=O)N(CC)CC)C1 1186018297 GLJGLPIYDVDOTG-CYBMUJFWSA-N 315.439 -0.128 30 20 DBED C#CCCN[C@H]1CCO[C@@H](C2CCN(C(=O)C(N)=O)CC2)C1 1186084887 KAELTXCOLBLBIC-UONOGXRCSA-N 307.394 -0.129 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2cnn(C)n2)C1 1186338678 CTYRIZYRDNFZBK-GHMZBOCLSA-N 306.370 -0.690 30 20 DBED C#CCNC[C@H]1CN(C(=O)[C@H](C)CC(N)=O)CC12CCOCC2 1186443627 BKWCLXWOQJFXRH-KGLIPLIRSA-N 321.421 -0.024 30 20 DBED COCCC[C@@H](C)C(=O)N1CC[C@@H](NCC(=O)NCC#N)C1 1186887597 ZGJOYDDAJVDUMR-CHWSQXEVSA-N 310.398 -0.121 30 20 DBED COCC#CCN1C[C@@H]2CCN(C(=O)c3nccnc3N)[C@@H]2C1 1187367834 YCVXPEIUFUNCKF-QWHCGFSZSA-N 315.377 -0.145 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2cnn(CC)c2)C1 1189418355 KYWMCLPHWLKCNO-CQSZACIVSA-N 317.393 -0.201 30 20 DBED COCC#CCN1C[C@@H]2CCN(C(=O)COCCN(C)C)[C@@H]2C1 1189802110 SPJLQDPQUXDANY-JKSUJKDBSA-N 323.437 -0.253 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)C2=CCOCC2)C1 1192404301 IKBUVQGLROBKFU-MRVWCRGKSA-N 323.393 -0.815 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)C#CC(C)(C)C)C1 1192814217 YLGTZBVFMFBNDK-MGPQQGTHSA-N 321.421 -0.112 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)CC(C)(C)C=C)C1 1193327517 CCVOXUVTASJSQP-CHWSQXEVSA-N 307.394 -0.501 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@H]1CCN(C(=O)CN2CCCC2)C1 1194041219 VTNAUYBXUFOCAQ-CABCVRRESA-N 320.437 -0.247 30 20 DBED COc1ccc(COCC(=O)N[C@@H]2CN(CC#N)C[C@H]2O)cc1 1194335655 YBWAXMLFKKKOIY-HUUCEWRRSA-N 319.361 -0.103 30 20 DBED C=CCO[C@H](C)C(=O)N1CC[C@H](N(C)Cc2nc(=O)n(C)[nH]2)C1 1194397465 VWOPMRWNWKSXOK-NEPJUHHUSA-N 323.397 -0.268 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)CCc2ccon2)C1 1194693901 ADNMYZXQJWPPQP-ZIAGYGMSSA-N 309.366 -0.029 30 20 DBED C#CCNC(=O)[C@H](C)N1CCCN(C(=O)[C@H](C)NC(C)=O)CC1 1194738718 BNUZQCWWYXKBBK-STQMWFEESA-N 322.409 -0.817 30 20 DBED C=C(C)C[C@H](C)C(=O)N[C@@H]1CN(Cc2nnnn2C)C[C@H]1O 1195526307 ULPUPWPRQTUYMQ-QJPTWQEYSA-N 308.386 -0.526 30 20 DBED COCC#CCN1CCCN(C(=O)[C@@H]2CN(C)C(=O)N2)CC1 1196732187 NQGQPDFTSYOORC-ZDUSSCGKSA-N 308.382 -0.806 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)c2c(C)cnn2C)CC1 1196790301 JWQROMNEBZYQMS-UHFFFAOYSA-N 317.393 -0.374 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)c2cn(CC)cn2)C1 1197833133 DCSZLBGKNRLVFR-TZMCWYRMSA-N 308.382 -0.120 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2cc(CC)on2)C1 1197912601 KYJQRUGHGFUQCP-CHWSQXEVSA-N 322.365 -0.686 30 20 DBED N#CCNC(=O)CNC[C@@H]1CN(C(=O)c2ccco2)CCCO1 1199697399 HZWRVNLYWICGRN-GFCCVEGCSA-N 320.349 -0.260 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC(N[C@@H]2CCN(C)C2=O)CC1 1200542314 YLCRZWMYIXRPCC-TZMCWYRMSA-N 307.394 -0.164 30 20 DBED CC(=O)NCC(C)(C)C(=O)N1CCCO[C@@H](CNCC#N)C1 1201621710 NNTNDXIXHZAIER-ZDUSSCGKSA-N 310.398 -0.121 30 20 DBED COC[C@@H](O)CN1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@H](C)C1 1206778691 GBYDNPZZEXNRIA-SCDSUCTJSA-N 306.366 -0.056 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)C(C)(C)C(N)=O)[C@H](C)C1 1207630076 VCAXHHCQLHJYRM-GHMZBOCLSA-N 310.398 -0.763 30 20 DBED COCC#CCN[C@H]1CCCN(C(=O)CCc2nc[nH]n2)C1 1207763359 BSQJDDIIVYCZIX-ZDUSSCGKSA-N 305.382 -0.032 30 20 DBED C#CCOCCC(=O)N1CCC[C@@H](NCCn2cncn2)C1 1208028323 CAWGSSQOIYIVPG-CQSZACIVSA-N 305.382 -0.101 30 20 DBED CCc1n[nH]cc1C(=O)N1CCC[C@@H](NCC(=O)NCC#N)C1 1208473961 HAYIZLVIDNUQLT-LLVKDONJSA-N 318.381 -0.194 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)c2cnc(C)n2C)C1 1209250432 FQNLTSRICBTXJI-CYBMUJFWSA-N 317.393 -0.328 30 20 DBED CCN1CCO[C@H](C(=O)N2CCC[C@@H](NCC#CCOC)C2)C1 1211177532 WZPCGJSMXMJZMQ-CVEARBPZSA-N 323.437 -0.063 30 20 DBED COCC#CCN1C[C@@H](NC(=O)Cc2nonc2C)[C@H](OC)C1 1213651520 FQWDNLKDAMKVTL-ZIAGYGMSSA-N 322.365 -0.614 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)c2cccc(O)n2)C[C@H]1C 1214391006 AZJCOBZTMOJTMB-DGCLKSJQSA-N 316.361 -0.413 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C 1214855370 CTWYZLVCQGFXFM-XPKDYRNWSA-N 320.437 -0.488 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)[C@@H]2CCN(C)C2=O)C[C@H]1C 1215356355 XSLXFZFBVHDZEB-MGPQQGTHSA-N 307.394 -0.449 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)Cc2ncc[nH]2)C[C@H]1C 1216061398 INMDWZYHRPJQIR-VXGBXAGGSA-N 305.382 -0.309 30 20 DBED COCC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H](C)NC(C)=O 1217238201 WQAHJKKIFSDXLE-VHDGCEQUSA-N 323.393 -0.928 30 20 DBED CCCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H](C)C#N 1217532653 MQHHGRWKJMLGNO-RWMBFGLXSA-N 308.382 -0.416 30 20 DBED COCC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H](OC)C1CC1 1217743775 GCHPGYRSTSQUQN-ARFHVFGLSA-N 322.405 -0.027 30 20 DBED Cc1occc(=O)c1OCC(=O)N[C@@H]1CN(CC#N)C[C@@H]1O 1219987509 ROTNMYBBLVAJMX-PWSUYJOCSA-N 307.306 -0.988 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)CCCC#CC)C1 1220180356 AYGHWLGZFRVQGK-KFWWJZLASA-N 319.405 -0.521 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)[C@@H](C)c2cncnc2)C1 1220211469 MRKANMOFWSMXKD-CFVMTHIKSA-N 320.393 -0.056 30 20 DBED C=CCC[C@@H](C)N1C[C@H](O)[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1 1220538897 COHMFYVIMNZHET-RTXFEEFZSA-N 323.393 -0.445 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)CCC(C)(C)C)C1 1220585974 GQKHEGZFKKGENS-OLZOCXBDSA-N 309.410 -0.277 30 20 DBED C=C[C@@H](C(=O)N[C@@H]1CN(CC(=O)NC)C[C@@H]1O)c1ccccc1 1221048309 MPRRUVGSUYUDLQ-KFWWJZLASA-N 317.389 -0.137 30 20 DBED C#CCC1(C(=O)N[C@@H]2CN(CC(N)=O)C[C@@H]2O)CCCCC1 1221131489 CNOKQPVJWWMTSM-OLZOCXBDSA-N 307.394 -0.393 30 20 DBED CCO[C@@H](CC)C(=O)N1C[C@H]2CCN(CC(=O)NCC#N)C[C@H]21 1221372023 IPYNTMJBKLTGFD-MCIONIFRSA-N 322.409 -0.026 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)[C@H]3CC3(F)F)[C@@H]2C1 1221526637 UPOIIKBGMKNVPU-IJLUTSLNSA-N 311.332 -0.076 30 20 DBED CC#CCN1CCC(CNC(=O)CCNS(C)(=O)=O)CC1 1223374599 QSJZYJQHIGVEEI-UHFFFAOYSA-N 315.439 -0.223 30 20 DBED CC(C)[C@H](C(=O)NC1CCN(CC(=O)NCC#N)CC1)N(C)C 1229074229 WCJOBLZBXKVHSL-OAHLLOKOSA-N 323.441 -0.207 30 20 DBED COCC#CCN1CC[C@@H]1CN(C)C(=O)[C@H]1CN(C)CCO1 1231369529 USBQOXWMTOAPDX-HUUCEWRRSA-N 309.410 -0.501 30 20 DBED C=C(C)CN1CC[C@@H]1CN(C)C(=O)CN(C)S(C)(=O)=O 1234973216 HPVCIDAPIOZJHC-GFCCVEGCSA-N 303.428 -0.013 30 20 DBED C=C[C@H](COC)NC(=O)N1CCC[C@@H]1CS(=O)(=O)NC 1255014431 XXRFJBTVMZAJII-GHMZBOCLSA-N 305.400 -0.089 30 20 DBED CCCNC(=O)COC(=O)CCN/C(O)=C1\N=CC=CC1=O 1322045579 QOABQDBHOJEZFV-BUHFOSPRSA-N 309.322 -0.028 30 20 DBED N#CCC1(CNC(=O)C(=O)NCc2nnnn2CC2CC2)CC1 1323779263 XJZIESBWSMIULZ-UHFFFAOYSA-N 317.353 -0.491 30 20 DBED C#CCC[C@@H](O)CNC(=O)NC[C@H]1CCCS(=O)(=O)C1 1323886387 UUIQKHABURVFDS-VXGBXAGGSA-N 302.396 -0.115 30 20 DBED CC(C)OC(=O)[C@@H](C)CNC(=O)C(=O)N1CCO[C@@H](C#N)C1 1325200584 NPYYZSRCOUBDQX-QWRGUYRKSA-N 311.338 -0.559 30 20 DBED C#CCSCCNC(=O)N1C[C@@H](O)C[C@@H](C(=O)OC)C1 1325974829 DMQFMLVFXHUARM-MNOVXSKESA-N 300.380 -0.082 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)N2CCC[C@H](CCO)C2)C1 1328442384 CSRQMTUJZGOGDG-DOMZBBRYSA-N 309.366 -0.516 30 20 DBED C=CC[C@@H](NC(=O)c1cnn(C[C@H](O)CO)c1)C(=O)OCC 1328662528 WZYQPDTUEVGDRX-NWDGAFQWSA-N 311.338 -0.526 30 20 DBED C[C@H]1CN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)C[C@@H](C)N1C 1332382790 CAAVCALLQWBUJL-TYNCELHUSA-N 308.382 -0.586 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)/C=C\c2ccco2)CC1 1332385293 SRPOKODWNBNCRI-WAYWQWQTSA-N 323.374 -0.095 30 20 DBED CC1(Cn2cc(C(=O)OCC(=O)NCCC#N)nn2)COC1 1337845072 HUHYDZFPFLJZNE-UHFFFAOYSA-N 307.310 -0.499 30 20 DBED C=C(C)Cn1nnnc1N1CCC[C@@H](NS(C)(=O)=O)C1 1352156999 BSXRQXPTXRIUNA-SNVBAGLBSA-N 300.388 -0.233 30 20 DBED Cn1c(=O)[nH]c(N2CC(C)(C)O[C@@]3(CCOC3)C2)c(C#N)c1=O 1363729868 IVKYQESHZAOAKD-HNNXBMFYSA-N 320.349 -0.280 30 20 DBED CCC[C@H](CNC(=O)NCCn1cc(C#N)c(O)nc1=O)OC 1365170393 CJLYOUQLIBYTLU-LLVKDONJSA-N 323.353 -0.065 30 20 DBED C=C(Br)CNC[C@@H](C)CNC(=O)Cn1ncnn1 1367238954 JNHVWIIJNWXVNU-MRVPVSSYSA-N 317.191 -0.076 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1C[C@@H](NC(=O)CCc2nc[nH]n2)C1 1371708598 XASUUHANHKZVPQ-GARJFASQSA-N 304.354 -0.092 30 20 DBED C=C(Br)CN1CCN(C(=O)Cn2cnnn2)CC1 1374221935 CLZRZDUGPJIDRD-UHFFFAOYSA-N 315.175 -0.274 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CC[C@H](CNCC(=O)NC(N)=O)CC1 1376377278 CKDPZLKZOSKGSW-IJLUTSLNSA-N 323.397 -0.147 30 20 DBED CCN1CCO[C@H](C(=O)NCC2(NC(=O)[C@@H](C)C#N)CC2)C1 1378847115 NFTDPPNSYKUWMO-RYUDHWBXSA-N 308.382 -0.368 30 20 DBED CC[C@H](CNC(=O)c1cn(C)nn1)NC(=O)c1cc(C#N)c[nH]1 1388071054 WBCWIUKTCHFZII-SNVBAGLBSA-N 315.337 -0.047 30 20 DBED CN(CCNC(=O)c1cc(C#N)c[nH]1)C(=O)c1cnnc(O)c1 1397883347 SISHKZBUYBLHNC-UHFFFAOYSA-N 314.305 -0.116 30 20 DBED CCS(=O)(=O)CC(=O)NCCN(C(=O)[C@@H](C)C#N)C1CC1 1398325086 JIHBYZUPLVDRQS-JTQLQIEISA-N 315.395 -0.312 30 20 DBED CO[C@@H](C(=O)NC1CN(C(=O)[C@@H](C)C#N)C1)c1cnn(C)c1 1398651796 SOXOXNMAJNNDIM-JOYOIKCWSA-N 305.338 -0.406 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1cnn(C2CCC2)c1 1399839989 YEVAXHPBWKPAIA-GXFFZTMASA-N 319.365 -0.025 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](C)NC(=O)Cn1cc(C2CC2)nn1 1408307916 LMDDZKYQMFYFCH-VHSXEESVSA-N 304.354 -0.064 30 20 DBED Cc1cc(C(=O)NC[C@@]2(O)CCN(C(=O)[C@@H](C)C#N)C2)n[nH]1 1417439550 JOILZQUAXGMJTF-XPTSAGLGSA-N 305.338 -0.429 30 20 DBED COc1cc(C(=O)N(C)C[C@H](O)CNC(=O)[C@H](C)C#N)on1 1444643036 KRVQDIOQZXVNFA-RKDXNWHRSA-N 310.310 -0.608 30 20 DBED COCCn1cc(C(=O)N(C)CCNC(=O)[C@H](C)C#N)nn1 1449199192 YNCHHJCWRKQMNP-SNVBAGLBSA-N 308.342 -0.728 30 20 DBED C[C@H](CNC(=O)c1ccc2nn[nH]c2n1)CNC(=O)[C@@H](C)C#N 1451607833 OFGNNDATEGKQPN-IUCAKERBSA-N 315.337 -0.005 30 20 DBED CCc1cc(C(=O)NC[C@H](O)CNC(=O)[C@@H](C)C#N)cc(O)n1 1452379179 QMUYEHDEGVQHGU-JOYOIKCWSA-N 320.349 -0.284 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@@H](CO)[C@@H]1CCOC1 1463432002 QHZOZPJQDGGLBN-NEPJUHHUSA-N 321.399 -0.920 30 20 DBED C[C@@H](C(=O)NC[C@@H]1CCCN(C(N)=O)C1)n1cnc(C#N)n1 1468660152 NZLHVUBGRLVEHX-UWVGGRQHSA-N 305.342 -0.382 30 20 DBED C[C@H](C#N)C(=O)N1CCC(N(CCO)CC(=O)N(C)C)CC1 1479750483 IVKMYGDSSSVJKH-GFCCVEGCSA-N 310.398 -0.480 30 20 DBED CCn1nncc1C(=O)NCCN(C)C(=O)c1cc(C#N)c[nH]1 1496000861 BAVCGLDLHLCEQQ-UHFFFAOYSA-N 315.337 0.000 30 20 DBED CCN(C[C@H](C)C#N)C(=O)CN(CCC(=O)OC)CC(=O)O 1573875674 YDVCMFMCDANXKY-LLVKDONJSA-N 313.354 -0.056 30 20 DBED COCc1n[nH]c(CNc2cnc(-c3nn[nH]n3)c(C#N)n2)n1 1579843812 MUKXDLAFGCVHCB-UHFFFAOYSA-N 313.285 -0.595 30 20 DBED C#CCN1CCN(C(=O)CN[C@@H](C(=O)O)C2CCOCC2)CC1 1588477234 MGBVQQYJFHNOBZ-OAHLLOKOSA-N 323.393 -0.767 30 20 DBED C=CCNC(=O)CNC(=O)c1ccc(-c2nn[nH]n2)c(C)n1 1588658955 FXGRCMMUCMAYFG-UHFFFAOYSA-N 301.310 -0.398 30 20 DBED C=CCCn1cc(C(=O)N2C[C@@H](C(=O)OC)[C@@H](C(=O)O)C2)nn1 1588817589 OHNFOUTVMKTGCW-VHSXEESVSA-N 322.321 -0.200 30 20 DBED C=C[C@@H]1OCC[C@H]1NC(=O)N1C[C@@H](C(=O)OC)[C@@H](C(=O)O)C1 1588917798 ADEGPWKMYPAVJQ-ZDCRXTMVSA-N 312.322 -0.155 30 20 DBED CNC(=O)[C@@H](C#N)C(=O)COc1ccc(-c2nn[nH]n2)cc1 1591198174 IFHGKQIRENHGSX-JTQLQIEISA-N 300.278 -0.300 30 20 DBED Cc1cccc(=O)n1C[C@@](C)(O)C(=O)N(CC#N)CCC(=O)O 1600510565 UQHWHWMBYGNFQU-OAHLLOKOSA-N 321.333 -0.265 30 20 DBED O=C(O)c1nc(=NCCN(CCO)C(=O)C#CC2CC2)cc[nH]1 1602572888 CMVWPJWTZQHQQC-UHFFFAOYSA-N 318.333 -0.757 30 20 DBED C=C(CCC(=O)O)C(=O)N1CCC2(CC1)NC(=O)N(C)C2=O 1602775599 GAPMEXRQZLNJAE-UHFFFAOYSA-N 309.322 -0.050 30 20 DBED Cc1nc(-c2nn[nH]n2)c(C#N)n1CC(=O)NC[C@H]1CCCO1 1606017975 PZZQYAYGJCPCMO-SECBINFHSA-N 316.325 -0.462 30 20 DBED C#CCNC(=O)CN[C@H](CNC(=O)[C@@H](C)n1cccn1)C1CC1 1752452038 RNIAQAIDGZZSHX-TZMCWYRMSA-N 317.393 -0.322 30 20 DBED C#CCCN[C@H]1C[C@@H](NC(=O)CCCN2C(=O)CNC2=O)C1 1752774724 IWUUBXOIUAAFEZ-TXEJJXNPSA-N 306.366 -0.422 30 20 DBED C#CCCN1CC[C@H](CNC(=O)CN(C)S(=O)(=O)CC)C1 1753137208 GEIDIGYPKIYYQP-CYBMUJFWSA-N 315.439 -0.271 30 20 DBED C=C(C)[C@@H](CC(=O)NC1CN(CC(=O)NCC#N)C1)OCC 1753379304 OPCKVEHEPFJCFF-CYBMUJFWSA-N 308.382 -0.202 30 20 DBED CC[C@@H](CNC(=O)Cn1nc2ccccn2c1=O)NCC#N 1753481176 KSRQPNMQAGPZMG-NSHDSACASA-N 302.338 -0.496 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H](CNC(=O)c1[nH]nnc1C)C(C)C 1753834000 ICRYSOGJJKQXKU-NEPJUHHUSA-N 320.397 -0.405 30 20 DBED CC#CCNC[C@@H](O)CNC(=O)c1cc(O)nc(C2CC2)n1 1753913923 DDSDBWDMDANGRR-LLVKDONJSA-N 304.350 -0.237 30 20 DBED CC#CCNC[C@H](O)CNC(=O)c1ccccc1-n1ccnn1 1753946788 JDAXKEDSOAJEQF-ZDUSSCGKSA-N 313.361 -0.029 30 20 DBED C=CCNC(=O)NC(=O)CN(C)C[C@H](C)NC(=O)[C@H](C)C#N 1754306605 QILAHCGEXYCZKA-MNOVXSKESA-N 309.370 -0.406 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)CCOCC#C)[C@@H](C)C1 1754595673 RNRRLGWWYMOKSP-LSDHHAIUSA-N 319.405 -0.255 30 20 DBED C#CCNC(=O)CN1CC[C@](O)(CNC(=O)c2ccco2)C1 1754747223 ILHJYBMGOOSTFT-HNNXBMFYSA-N 305.334 -0.804 30 20 DBED C#CCN1CCC[C@](CO)(NC(=O)c2cccn(C)c2=O)C1 1754862988 WXBJZNJAQLNYGC-INIZCTEOSA-N 303.362 -0.425 30 20 DBED COCC#CCN1CC2(C[C@@H](NC(=O)C(C)(C)C(N)=O)CO2)C1 1755064253 WAGFSKSYIGBGCE-GFCCVEGCSA-N 323.393 -0.893 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)C[C@@H]1CCCN1C(=O)c1cnon1 1755208753 AJWINSVVSROCJW-NEPJUHHUSA-N 319.365 -0.256 30 20 DBED C=CCN(C)[C@H](C)CNC(=O)Cn1[nH]cc2c(=O)ncnc1-2 1755318196 PCUHIKFEARMKSA-SNVBAGLBSA-N 304.354 -0.306 30 20 DBED COCC#CCN(C)[C@H](C)CNC(=O)[C@@H]1CCc2nncn2C1 1755329576 ZYXYNMJDFWPOJM-ZIAGYGMSSA-N 319.409 -0.073 30 20 DBED C#CCN1CC([C@H](C)NC(=O)CN(C)CC(=O)NC(C)C)C1 1755378335 LIJGSRDOAMZXJP-ZDUSSCGKSA-N 308.426 -0.488 30 20 DBED C#CCCN[C@H](C)[C@H]1CN(C(=O)c2ccc(=O)n(C)n2)CCO1 1755447417 FTXLMWOYZAMOSF-TZMCWYRMSA-N 318.377 -0.377 30 20 DBED CC#CCN[C@H](CO)CNC(=O)Cn1ccc(C(F)F)n1 1755630367 HYMURBQBVDGCTE-JTQLQIEISA-N 300.309 -0.089 30 20 DBED C=CCCCC(=O)N[C@@H](C)[C@H](C)NC(=O)CN1C(=O)CNC1=O 1755979340 AWAGZQMLYPJKFN-QWRGUYRKSA-N 324.381 -0.096 30 20 DBED C#CCO[C@H](C)C(=O)NC1(CCO)CN(C(=O)CCOC)C1 1756083516 XEUCQXGIMSGIMX-GFCCVEGCSA-N 312.366 -0.859 30 20 DBED C=CCCOCC(=O)N1CC([C@H](C)NC(=O)CNC(C)=O)C1 1756128459 TZWAERLGAPSCAC-NSHDSACASA-N 311.382 -0.322 30 20 DBED C#CCOCCC(=O)NC[C@H]1[C@@H]2CN(C(=O)[C@@H](C)OC)C[C@H]12 1756202293 WXYIZVKOXJXLKY-SYQHCUMBSA-N 308.378 -0.118 30 20 DBED C[C@@H](CN(C)C(=O)C#CC1CC1)NC(=O)[C@@]1(C)CNC(=O)C1 1756450966 PAVSIZUZUMGATG-MEDUHNTESA-N 305.378 -0.111 30 20 DBED C#CCCCC(=O)NC[C@@H](CO)NC(=O)[C@]1(F)CCOC1 1756515009 DGWUHYIPSWQQQY-FZMZJTMJSA-N 300.330 -0.488 30 20 DBED NC(=O)NCC(=O)N1CC[C@@]2(NC(=O)C#CC3CC3)CCC[C@@H]12 1756611380 SAYWZXDRYJPCSJ-WBMJQRKESA-N 318.377 -0.292 30 20 DBED Cc1cc(C(=O)N(C)C[C@@H](O)CNC(=O)C#CC2CC2)ncn1 1756659761 TVNOOSVUWJHZCI-ZDUSSCGKSA-N 316.361 -0.252 30 20 DBED CC(C)[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC#N)C2 1793071335 OZYXVKJVIGPFRJ-ZMJPVWNMSA-N 309.366 -0.493 30 20 DBED N#CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCCC1)C2 1795077613 QJBLUMASQLSMIB-YWVIFJGQSA-N 320.393 -0.415 30 20 DBED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCOC1)CCO2 1840540055 PEXQIHZKXCXPTP-CZUORRHYSA-N 322.361 -0.888 30 20 DBED N#CC1(C(=O)N2CCCC23CN(C(=O)C2=NNC(=O)C2)C3)CC1 1842807879 BHKNVJMELMGJGL-UHFFFAOYSA-N 315.333 -0.631 30 20 DBED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)[C@@H]1CC1(F)F)C2 1846195689 SKLADDHZGBLKIE-VIFPVBQESA-N 312.272 -0.067 30 20 DBED C[C@H](O)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 270737330 DZJILPNDIQWZAU-NSHDSACASA-N 323.374 -0.228 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC2(CC1)CC(C(=O)OC)=NO2 273167521 CSQKWHCXWCWRFJ-LLVKDONJSA-N 307.350 -0.092 30 20 DBED CCOC(=O)[C@@H](C)[C@H](C)Nc1c(C#N)c(=O)n(C)c(=O)n1C 274655444 HYGJKJFEKTZFCV-IUCAKERBSA-N 308.338 -0.045 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCc2cc(C)no2)C1=O 299499865 KFMIWXZSIXRHCW-UHFFFAOYSA-N 306.278 -0.424 30 20 DBED O=C1C[C@H](N/C(O)=N/[C@H]2CCS(=O)(=O)C2)CN1C1CC1 330053591 QQYSMLZNPHYCMT-IUCAKERBSA-N 301.368 -0.560 30 20 DBED N#Cc1ccsc1NC(=O)CN1CC[C@@H](S(N)(=O)=O)C1 330470884 MVUPVVJWYDXPGN-SECBINFHSA-N 314.392 -0.079 30 20 DBED CNC(=O)Cn1cc(N/C(O)=N/[C@@H](C)CN2CCOCC2)cn1 330534490 UQWWXLQNPMDVFB-NSHDSACASA-N 324.385 -0.324 30 20 DBED C[C@H](CCS(C)(=O)=O)/N=C(/O)N[C@@H]1C(=O)NCC[C@H]1C 331310280 URDHXYBMNPRRBG-BBBLOLIVSA-N 305.400 -0.162 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCN(C[C@H](C)O)CC1 337155701 OBVSDEYDVWBFFE-STQMWFEESA-N 318.443 -0.289 30 20 DBED C[C@H](C#N)C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 345636941 ZSLKMEWUUBLBNR-SNVBAGLBSA-N 312.351 -0.192 30 20 DBED CC(C)n1cc(C#N)c(NC(=O)C(=O)NC[C@H](C)N(C)C)n1 359055496 ILBCUVGFUGBUAV-JTQLQIEISA-N 306.370 0.340 30 20 DBED C=CCNc1nnc(S(=O)(=O)Cc2nnc(C)n2C)s1 361852541 UUAFUWCILYMLFH-UHFFFAOYSA-N 314.396 0.547 30 20 DBED C[C@H](NC(=O)Cn1cc2c(c(C#N)c1=O)CCC2)C(=O)N(C)C 447407409 ATWBUXNWHOVVMA-JTQLQIEISA-N 316.361 -0.198 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)NCCN1C[C@@H]2CC[C@H](C1)O2 451884814 DSLNDPODLMZOSA-UPJWGTAASA-N 316.427 -0.225 30 20 DBED C=C[C@@H]1OCC[C@H]1NC(=O)CNS(=O)(=O)CCOC(C)C 452924053 MVCOYKOQFJBXQT-NEPJUHHUSA-N 320.411 -0.210 30 20 DBED C#CCNC(=O)N(C)CCOc1ccc(S(N)(=O)=O)cc1 491641471 RCVISEOGCIWUPB-UHFFFAOYSA-N 311.363 -0.013 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)Cc2cc(C)nn2C)CC1 491749539 ZKJBQYHEEQJECL-UHFFFAOYSA-N 317.393 -0.835 30 20 DBED N#Cc1ccc(S(=O)(=O)N2C[C@H](O)[C@@H](CO)C2)c(F)c1 573339717 VKRRAGBEUZYIBK-KOLCDFICSA-N 300.311 -0.329 30 20 DBED COC(=O)c1nc(=NCCCc2[nH]nc(N)c2C#N)cc[nH]1 590568948 DSYJBABKVACBSR-UHFFFAOYSA-N 301.310 -0.093 30 20 DBED COC[C@H]1C[C@@H](O)CN1C(=O)CNC(=O)c1ccc(C#N)cc1 593813856 GURZEUAGUMQGKP-ZIAGYGMSSA-N 317.345 -0.104 30 20 DBED N#Cc1ccc(CNC(=O)CN2CCCNS2(=O)=O)cc1 596290119 KEJPFDHJQRBWMH-UHFFFAOYSA-N 308.363 -0.285 30 20 DBED N#Cc1ncn(CCNC(=O)[C@@H]2CC(=O)N[C@H]3CCCC[C@H]32)n1 597642567 GBPCHHKMMASMQY-TUAOUCFPSA-N 316.365 -0.039 30 20 DBED C[C@@H](O)C[C@H]1CCCN1C(=O)C(=O)N1CCN(CCC#N)CC1 601460900 QQNMKHGQAWLBFN-ZIAGYGMSSA-N 322.409 -0.194 30 20 DBED C[C@@H]1C[C@H](CNC(=O)C(=O)N2CCN(CCC#N)CC2)[C@@H](C)O1 602277860 XWXQPYNLZOYCQB-MGPQQGTHSA-N 322.409 -0.026 30 20 DBED CS(=O)(=O)N1CCN(CCNc2ccc(C#N)nn2)CC1 611239948 KXEJFVMGZZNECC-UHFFFAOYSA-N 310.383 -0.663 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N2CCCC2)C1=O 726044026 ZESLLPSILHXKKE-UHFFFAOYSA-N 323.305 -0.871 30 20 DBED Cc1ccc(C(=O)NOCCO)cc1S(=O)(=O)NCC#N 787298678 JHAJTGLRPQGQKB-UHFFFAOYSA-N 313.335 -0.549 30 20 DBED CS(=O)(=O)NC(=O)CCNC(=O)c1ccc(CC#N)cc1 800550958 KQZWINCTWRZEKE-UHFFFAOYSA-N 309.347 -0.052 30 20 DBED CNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCN(O)C2=O)o1 816756426 XCUQEJTWNFSXTC-SSDOTTSWSA-N 317.323 -0.702 30 20 DBED C=CCOCCCC(=O)NN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C=C[C@H]2O1 828677785 CKGDHXATRXMSDD-FPQZTECRSA-N 306.318 -0.061 30 20 DBED C#CC[C@H](NS(=O)(=O)c1c[nH]c(C(=O)OC)c1)C(=O)OC 841539875 GLNGOIGAKQGIIC-VIFPVBQESA-N 314.319 -0.356 30 20 DBED C/N=C(/NCCN1CCOCC1)NCc1ccc(C(N)=O)nc1 849107801 UXFCXECUYGBDAS-UHFFFAOYSA-N 320.397 -0.822 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N1CC[C@@](C)(C(N)=O)C1 850712958 XZKGXIVOHAYFRT-OAHLLOKOSA-N 309.366 -0.791 30 20 DBED CC(C)[C@H](NC=O)C(=O)NS(=O)(=O)CC1(C#N)CCC1 860672430 UHXVLXXAXHINEE-JTQLQIEISA-N 301.368 -0.103 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@]2(C)CCC(=O)N2)CC1 873874824 CCLIGIJPZZLDMG-HNNXBMFYSA-N 308.382 -0.899 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N(C)CCn1cccn1 875598862 MDYZMGJJAHDELY-CYBMUJFWSA-N 306.366 -0.114 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N1CCCN(C(C)=O)CC1 875598920 BNWFHNRGLZDWNL-CQSZACIVSA-N 323.393 -0.388 30 20 DBED C#CC1(O)CN(C(=O)[C@H](C)N2C(=O)[C@@H]3CCCC[C@H]3C2=O)C1 890520410 ZQHSWSWWMGCIHL-QJPTWQEYSA-N 304.346 -0.243 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H]2C[C@H]2C)CC1 892060367 JGNHEBHQSYZOLC-NEPJUHHUSA-N 314.411 -0.563 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCc2ncncc2C1)[C@@H]1CCCO1 898003712 OQDCCNGONAXWDF-JSGCOSHPSA-N 314.345 -0.342 30 20 DBED C#CC1(O)CN(S(=O)(=O)c2ccc(CNC(C)=O)s2)C1 908228644 GGVFUTFTIODJRM-UHFFFAOYSA-N 314.388 -0.247 30 20 DBED C#CCN1CCC[C@H](NC(=O)[C@@](C)(O)Cn2ccccc2=O)C1 923561163 STPAUBXZSUGKMO-YOEHRIQHSA-N 317.389 -0.187 30 20 DBED C#CCNC(=O)C1CCN(C(=O)NCCO[C@@H]2CCOC2)CC1 927517610 MEZSDKZFOJZTSL-CQSZACIVSA-N 323.393 -0.037 30 20 DBED C#Cc1cncc(C(=O)N(C)[C@@H]2CCN(C(=O)CC(N)=O)C2)c1 936954842 IWDLROSYORFKGI-CYBMUJFWSA-N 314.345 -0.389 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]c(C(N)=O)c1 937223050 XRBFMCIRATVZFF-LSJOCFKGSA-N 315.333 -0.301 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CN2CCOCC2=O)[C@H](C)C1 942130073 LQYWJJGNHCADOM-ZIAGYGMSSA-N 307.394 -0.305 30 20 DBED Cc1cc(C(=O)NC[C@@H]2CN(C(=O)[C@H](C)C#N)CCO2)n(C)n1 944501395 UZOJWRZJAVGJDI-ZYHUDNBSSA-N 319.365 -0.155 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2nccnc2C(N)=O)[C@H](C)C1 944812005 ROPLSBALWZEHFQ-GHMZBOCLSA-N 301.350 -0.351 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2nnc(O)nc2O)C[C@@H]1C 947505868 GEIDHJNXRCAECX-UWVGGRQHSA-N 305.338 -0.111 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]1CNC(=O)c1cccc(C(N)=O)n1 950650516 GGBNPWIIPIVAFB-NXEZZACHSA-N 315.333 -0.329 30 20 DBED C[C@H](C#N)C(=O)N1CCC(N(C)C(=O)[C@H]2CN(C)C(=O)N2)CC1 954133826 QPIXPUZTYIPWOF-ZYHUDNBSSA-N 321.381 -0.381 30 20 DBED C[C@@H](C#N)C(=O)N1CC(N(C)C(=O)C(=O)N2CC[C@@H](C)C2)C1 955382215 AVAIBZCNQIDGOE-MNOVXSKESA-N 306.366 -0.316 30 20 DBED CN(C)Cc1cc(C(=O)NC[C@@H]2CN(CC#N)C[C@H]2O)no1 958199476 IZKYGGNPSGEJHB-ZWNOBZJWSA-N 307.354 -0.718 30 20 DBED CC#CCN1C[C@H](O)[C@H](CNC(=O)c2ccc(=O)n(CC)n2)C1 958493370 GHAJAOALGRVHPN-OCCSQVGLSA-N 318.377 -0.691 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2ccc(N(C)C)nn2)C1 958599575 REQYVTORIGUUPY-DGCLKSJQSA-N 303.366 -0.802 30 20 DBED O=C(C#CC1CC1)N1C[C@H]2CN(C(=O)Cn3cncn3)C[C@H]2C1 961541620 AETPHNZOQBLZHF-OKILXGFUSA-N 313.361 -0.392 30 20 DBED Cc1cnn(CC(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2O)c1 961789279 ZOTYEGNPRCFTPL-KGLIPLIRSA-N 316.361 -0.707 30 20 DBED C#CCNC1CC2(C1)CC(NC(=O)[C@@H]1CCS(=O)(=O)N1)C2 965925030 GEZUZIXYDIHTNW-VPTICVGPSA-N 311.407 -0.672 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)[C@H]3CCN(C)C3=O)C2)C1 972505985 HFBVAEOAFGDJGJ-XJKSGUPXSA-N 305.378 -0.599 30 20 DBED CC#CCN1C[C@H](NC(=O)CN2CCN(C)C(=O)C2)C(C)(C)C1 974749267 HQARRPZJELOLMZ-AWEZNQCLSA-N 320.437 -0.390 30 20 DBED C#CCN1C[C@H](NC(=O)c2cnc(O)n(C)c2=O)C(C)(C)C1 974919990 HTWKTFXZFWRDQP-NSHDSACASA-N 304.350 -0.441 30 20 DBED CC(=O)N1CC(C(=O)N[C@H]2[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]32)C1 976427093 JSQSGWUHMGQHCR-FOLVSLTJSA-N 315.373 -0.549 30 20 DBED C=C(C)CN1C[C@H]2C(CNC(=O)[C@H]3CC[C@@H](C(N)=O)O3)[C@@H]2C1 978709838 XKQZZNGSNBIGTM-XDQVBPFNSA-N 307.394 -0.111 30 20 DBED N#CCN1C[C@@H]2C(CNC(=O)c3cccn4c(O)nnc34)[C@H]2C1 978938245 CVCZAYGKGQSXRW-VXGBXAGGSA-N 312.333 -0.134 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CCCN(C(=O)CC(N)=O)C1 984017537 ZWSWKBLOJYJHHW-XQQFMLRXSA-N 323.393 -0.098 30 20 DBED CC(=O)N[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1n1ccnn1 990764099 GCPYLFYQRJQGIJ-OLZOCXBDSA-N 313.321 -0.320 30 20 DBED C#CCN1CCC(C(=O)N(C)C2CC(N[C@H](C)C(N)=O)C2)CC1 999870705 PIVXANANVXZHHL-LRVUVFPRSA-N 320.437 -0.216 30 20 DBED N#CCN1CC=C(CNC(=O)c2ccc(-n3cnnn3)cn2)CC1 1000993354 BVGAWRUGPDVHOE-UHFFFAOYSA-N 324.348 -0.057 30 20 DBED Cc1c(C(=O)N[C@@H](C)C2CN(C(=O)[C@H](C)C#N)C2)nnn1C 1005840183 DIGLVSNCSNQDQP-BDAKNGLRSA-N 304.354 -0.140 30 20 DBED CCn1ncc(C(=O)NC[C@H]2[C@@H]3CN(C(=O)[C@@H](C)C#N)C[C@H]23)n1 1009045307 XKBVUNDVXSTNFO-FIQHERPVSA-N 316.365 -0.108 30 20 DBED C=C(Cl)CN1CC[C@H](NC(=O)Cn2ccc(O)nc2=O)C1 1015136989 HSYPOPWMOAZAMF-JTQLQIEISA-N 312.757 -0.108 30 20 DBED C[C@H]1CC[C@H](NC(=O)c2nnn(C)n2)CN1C(=O)C#CC1CC1 1018336840 ZATGNXLZWXFINK-JQWIXIFHSA-N 316.365 -0.267 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCN(C(=O)CN3CCOCC3)C2)C1 1019362842 GRDJSRMRNLQDLX-ZDUSSCGKSA-N 320.393 -0.461 30 20 DBED C=C1CC(C)(C(=O)N2CC[C@H]3OCCN(C(=O)C(N)=O)[C@H]3C2)C1 1019921631 IODFZEHJMXDDQN-NWDGAFQWSA-N 321.377 -0.344 30 20 DBED CN(CC#N)[C@H]1CCCN(C(=O)CC[C@H]2NC(=O)NC2=O)C1 1027672979 BDZYEACUBMOWTM-WDEREUQCSA-N 307.354 -0.579 30 20 DBED C#CCN(C)[C@@H]1CCCN(C(=O)CC[C@H]2NC(=O)NC2=O)C1 1027673126 DEOZZIOXWFMDLZ-VXGBXAGGSA-N 306.366 -0.469 30 20 DBED C=C(C)CCN1CC[C@@H](CNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 1028837315 LDKOFYHVEWNVEU-RYUDHWBXSA-N 308.382 -0.011 30 20 DBED C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)Cn1c(O)nnc1O 1032755741 KMGOMIKCNYBFGI-QWRGUYRKSA-N 307.354 -0.059 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)Cn2ncn3nccc3c2=O)C1 1033472273 GBOCHUNGVLHGME-LBPRGKRZSA-N 316.365 -0.390 30 20 DBED CC#CCN1CCO[C@@H](CNC(=O)c2ccc3nn[nH]c3n2)C1 1035390291 CLBFDMDLQBIFPW-NSHDSACASA-N 314.349 -0.193 30 20 DBED C#CCCN1CCO[C@@H](CNC(=O)c2ncc(OC)cn2)C1 1035439334 WXASRDSRRNEEPS-ZDUSSCGKSA-N 304.350 -0.061 30 20 DBED N#CCN1CCO[C@H](CNC(=O)c2cc3n(n2)CCCO3)C1 1035441779 FGUIZNQYENLDLN-LLVKDONJSA-N 305.338 -0.380 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)c2ccc(C(N)=O)cc2)C1 1035602955 PYVIYEODFVVHLP-AWEZNQCLSA-N 301.346 -0.151 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H](NCC(N)=O)[C@@H](C)C2)nn1 1036219581 PSIVESPJXYIBKF-QWRGUYRKSA-N 306.370 -0.610 30 20 DBED N#CCN1CC[C@H]2CN(C(=O)CN3CCCNC3=O)CC[C@H]21 1036758797 AFBCTRIOMRMMOJ-QWHCGFSZSA-N 305.382 -0.152 30 20 DBED C#CCCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)Cc1ccc(C(N)=O)nc1 1037465632 SKJKWVRYSOUGOG-IVMMDQJWSA-N 312.373 -0.065 30 20 DBED C=CCN1CC[C@@H](N2CC[C@H]2CNC(=O)c2cnnn2C)C1=O 1038214109 KKQCTCPWAWZABV-NWDGAFQWSA-N 318.381 -0.594 30 20 DBED C#CCCCC(=O)NC[C@]1(O)CCN(C(=O)[C@@H](C)CC(N)=O)C1 1039580699 YPQBSARKIOZOLF-BLLLJJGKSA-N 323.393 -0.619 30 20 DBED C=CCCC(=O)N1CC[C@](O)(CNC(=O)Cc2n[nH]c(C)n2)C1 1039691922 LLHCRRUFBOAWTG-HNNXBMFYSA-N 321.381 -0.299 30 20 DBED CCCN(C)CC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H](C)C#N)C1 1040448229 XUKMYUFRUHIZHT-WFASDCNBSA-N 310.398 -0.433 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)c3cncs3)C2)nn1 1040949056 CBFWGQTUIJXJMW-NXEZZACHSA-N 316.346 -0.216 30 20 DBED N#Cc1cnc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCCCO3)C2)cn1 1040975037 HDNDHZLMJAHZJY-UPJWGTAASA-N 317.349 -0.417 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)c2ccncc2)C1 1041173712 OIEBQLVXHKQDSA-UHFFFAOYSA-N 317.345 -0.575 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 1042052415 JGWNFYDBFLSOMA-UPJWGTAASA-N 324.377 -0.554 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)c2ccsn2)C1 1042053086 ZQZNUSOISFPWEP-UHFFFAOYSA-N 311.363 -0.351 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(O)(CNC(=O)C2=CCOCC2)C1 1042716580 SRNKUYWEAKJGBF-OAHLLOKOSA-N 324.377 -0.650 30 20 DBED CN1CC[C@@H](C(=O)N2CC(O)(CNC(=O)C#CC3CC3)C2)C1 1042963735 UDLDYUQBLZNTMO-CYBMUJFWSA-N 305.378 -0.959 30 20 DBED C=C1CC(C)(C(=O)N2CC(O)(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 1042978477 MYOIPGOSDIVRMM-GHMZBOCLSA-N 323.349 -0.303 30 20 DBED CCCn1cc(C(=O)NCC2(O)CN(C(=O)[C@@H](C)C#N)C2)cn1 1043085992 CEGJZICMOHLYOK-NSHDSACASA-N 319.365 -0.244 30 20 DBED CN1CC[C@H](C(=O)NCC2(O)CN(C(=O)C#CC(C)(C)C)C2)C1 1043116793 QOTIIDPIGLUUGD-ZDUSSCGKSA-N 321.421 -0.323 30 20 DBED C#CCN1CC(N(C)C(=O)c2c3n(c(=O)n2C)CCCC3)C1 1043887323 YKRIQICRSXVCQC-UHFFFAOYSA-N 302.378 -0.088 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)CCOCC(F)F)C1 1045551367 HTDWFHWEAYFEHU-VIFPVBQESA-N 319.308 -0.493 30 20 DBED C=C(C)CN1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)N2CCOCC2)C1 1047654346 UPLGMWWJXSRWKM-KKUMJFAQSA-N 311.426 -0.213 30 20 DBED C=CCCC1(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)CC(N)=O)C2)CC1 1048605418 UGWQYZJFIAHYCW-RYUDHWBXSA-N 323.393 -0.362 30 20 DBED C#CCO[C@H](C)C(=O)N(C)[C@H]1CN(C(=O)c2cc[nH]n2)C[C@@H]1O 1048843921 AOVHYAXZQHECSY-WXHSDQCUSA-N 320.349 -0.908 30 20 DBED CC#CCN1C[C@H]2CN(C(=O)c3nnc(O)nc3O)C[C@H]2C1 1048919242 QNSIMGVFVLDHJA-AOOOYVTPSA-N 303.322 -0.690 30 20 DBED N#CCN1CCOC[C@@H]1CNC(=O)c1ccc2nn[nH]c2n1 1050949701 SLQYGUFFBZHQMV-VIFPVBQESA-N 301.310 -0.693 30 20 DBED CCc1c(C(=O)NC[C@H]2COCCN2CC#N)nnn1CC 1051111617 WSEYYIKIEIQIBQ-NSHDSACASA-N 306.370 -0.185 30 20 DBED C#CCN1CCN([C@@H]2CCN(C(=O)Cc3n[nH]c(C)n3)C2)CC1 1052024610 IBLGHVOLMNIAEB-CQSZACIVSA-N 316.409 -0.493 30 20 DBED CCn1nc(C(=O)N2CCOC3(CN(CC#N)C3)C2)ccc1=O 1053474775 PITFINKAQFKSNY-UHFFFAOYSA-N 317.349 -0.686 30 20 DBED C#CCN1CC2(CC[C@H](CNC(=O)[C@H]3CCC(=O)N(C)C3)O2)C1 1053701302 RKVLCVBOFNAUJS-UONOGXRCSA-N 319.405 -0.162 30 20 DBED C=CCN1CC2(C[C@H](NC(=O)[C@@H]3CCS(=O)(=O)C3)CO2)C1 1053865056 QBAJUDXBNSMZPG-NEPJUHHUSA-N 314.407 -0.433 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)C3CC(=O)NC(=O)C3)CO2)C1 1053956037 XWUGATTUCDEZLC-LBPRGKRZSA-N 319.361 -0.978 30 20 DBED C=CCN1CC2(C[C@H](NC(=O)c3cccnc3C(N)=O)CO2)C1 1054012469 DKOPYQOUPVAIFT-NSHDSACASA-N 316.361 -0.060 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)[C@@H](OC)C1CC1 1057193729 ORBQJEQIVOCYNI-AWEZNQCLSA-N 314.382 -0.449 30 20 DBED C#CCO[C@H](C)C(=O)N(CCO)CCNC(=O)Cc1ccon1 1057583295 MTAWMCMPLDYMOS-GFCCVEGCSA-N 323.349 -0.808 30 20 DBED C#CCO[C@H](C)C(=O)N(CCO)CCNC(=O)CCCF 1057587863 NYAPGNYTEJZSMK-GFCCVEGCSA-N 302.346 -0.289 30 20 DBED C=C[C@](C)(O)CC(=O)NCCN(CCO)C(=O)c1[nH]cnc1C 1058066452 ZXMZSKAPAHMUNB-HNNXBMFYSA-N 324.381 -0.404 30 20 DBED C[C@H]1CO[C@@H](C(=O)N(CCO)CCNC(=O)C#CC2CC2)C1 1058327288 RQANHSQHETVTNM-TZMCWYRMSA-N 308.378 -0.238 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H]1COCCN1C(=O)C#CC1CC1 1061585331 VIIMMFBZTFMNIL-HIFRSBDPSA-N 318.373 -0.218 30 20 DBED C#Cc1cncc(C(=O)N2CCCC[C@@H]2CNC(=O)C(N)=O)c1 1062342844 WPZFIONBVGWJEY-CYBMUJFWSA-N 314.345 -0.341 30 20 DBED Cc1nn[nH]c1C(=O)N1CCC[C@@H]1CN=c1cc[nH]c(C#N)n1 1063540773 RCLYZCDJLFGWSZ-SNVBAGLBSA-N 312.337 -0.087 30 20 DBED Cc1cc(C#N)nc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)c2ncn(C)n2)n1 1064242866 ULDKVFXPVBSGBP-USWWRNFRSA-N 324.348 -0.208 30 20 DBED C=CCOCC(=O)NC1(CNC(=O)c2c[nH]c(=O)cn2)CCC1 1064254719 PRWXQUHMXSDCSG-UHFFFAOYSA-N 320.349 -0.259 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CN(C(=O)CCn2cccn2)CCO1 1064872965 OPHLAWDWSDFGKV-CHWSQXEVSA-N 319.365 -0.224 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@H](CNC(=O)Cc2cncnc2)C1 1065556948 LTORIQDOFIONQH-DGCLKSJQSA-N 317.349 -0.478 30 20 DBED N#Cc1ccc(N2CCOC[C@@H]2CNC(=O)c2cn[nH]c2)nn1 1066467054 YRRGIJZIOXOBAR-LBPRGKRZSA-N 313.321 -0.293 30 20 DBED N#Cc1ccc(NC[C@H]2C[C@H](NC(=O)[C@H]3COC(=O)N3)C2)nn1 1068481493 OYWBNNFQJXKNQM-FBIMIBRVSA-N 316.321 -0.237 30 20 DBED C#CCNC(=O)CC(=O)NCC1(NC(=O)CC)CCOCC1 1069916792 MYEYQEOHDOKBKC-UHFFFAOYSA-N 309.366 -0.683 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H]2CCCCN2C)C1 1069959383 SPNCCNNBGAEFKR-ILXRZTDVSA-N 316.409 -0.263 30 20 DBED Cn1cncc1[C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1NCC#N 1070643276 UASFQGIZJIIRQA-GHMZBOCLSA-N 314.353 -0.730 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)c4cnnn4C)C[C@@]3(C1)O2 1070795343 QTPROMKTHFEPCY-YWPYICTPSA-N 301.350 -0.636 30 20 DBED C=CCN1CCN([C@H]2CCCN(C(=O)c3cnn[nH]3)C2)C(=O)C1 1071268077 WSXQIZKUMCIBAW-LBPRGKRZSA-N 318.381 -0.261 30 20 DBED CC#CCN1C[C@@H](NC(=O)Cn2c(O)nnc2O)CC[C@H]1C 1072027296 WPTKQXJWADCSSB-MNOVXSKESA-N 307.354 -0.318 30 20 DBED CNC(=O)CN1CCO[C@H]2CCN(C(=O)C#CC3CC3)C[C@H]21 1074235304 FTPOWGPDTZCPQO-KGLIPLIRSA-N 305.378 -0.553 30 20 DBED N#CCN1CCO[C@H]2CCN(C(=O)c3ccc(C(N)=O)[nH]3)C[C@H]21 1074340415 IVRANIXAFMGZDZ-OLZOCXBDSA-N 317.349 -0.448 30 20 DBED CNC(=O)NCC(=O)N[C@@H](C)CCNC(=O)c1ccc(C#N)[nH]1 1076182946 FUEDHOGZGOEGMX-VIFPVBQESA-N 320.353 -0.560 30 20 DBED C[C@@H](CCNC(=O)c1c[nH]c(C#N)c1)NC(=O)[C@@H]1COCCO1 1076215570 MEHBRTAQEIGLFF-GWCFXTLKSA-N 320.349 -0.074 30 20 DBED CC#CCN1C[C@@H]2CCN(C(=O)CN3CCC(=O)NC3=O)[C@@H]2C1 1076430310 GEJDPCUVOXPFTC-QWHCGFSZSA-N 318.377 -0.516 30 20 DBED C#CCN1C[C@@H]2CCN(C(=O)CC[C@H]3NC(=O)NC3=O)[C@@H]2C1 1076547677 FWZQVDHMMKAANA-QJPTWQEYSA-N 304.350 -0.860 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)C1 1077088823 LRGRZEHMBMZWSA-JHJVBQTASA-N 307.394 -0.572 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)Cc2ccccc2C(N)=O)C1 1077496373 TVCOJKGAAAIOHU-ZIAGYGMSSA-N 303.362 -0.325 30 20 DBED COC[C@@H](OC)C(=O)NCC[C@H](C)NC(=O)CSCC#N 1078259176 YSQXOOCRPYMIKO-WDEREUQCSA-N 317.411 -0.084 30 20 DBED N#CCSCC(=O)NC[C@H]1CN(C(=O)c2cc[nH]c2)C[C@@H]1O 1081288698 FSHGMZNDWDJQDY-RYUDHWBXSA-N 322.390 -0.179 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2cccn2C)C[C@@H]1O 1081344089 LYGXRDIELPVZCM-JSGCOSHPSA-N 321.377 -0.223 30 20 DBED CC#CCN1C[C@@H](NC(=O)[C@H]2C[C@@H](C)CC(=O)N2)[C@H](OC)C1 1081686233 LLTXRKOALDWCLB-AAVRWANBSA-N 307.394 -0.260 30 20 DBED C#CCNC(=O)CC(=O)N1CCCC[C@H]1CNC(=O)[C@H](C)C#N 1082017168 SHRZFLOHDQIZND-OLZOCXBDSA-N 318.377 -0.217 30 20 DBED O=C(C#CC1CC1)N1CCO[C@@H]2CN(Cc3nc(O)n[nH]3)C[C@@H]21 1083076978 MXNWPGQVJFFVTR-NWDGAFQWSA-N 317.349 -0.665 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CCCN(C(C)=O)C1 1083135450 DLFPDXLFOZFSNV-HRCADAONSA-N 319.405 -0.210 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CCNC(=O)CC1 1083153858 SSRWOBOWDMFWDH-QLFBSQMISA-N 319.405 -0.162 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)[C@@]2(C)CCCS2(=O)=O)C1 1083851714 MUIOUYZNZOSOCJ-NTZNESFSSA-N 302.396 -0.699 30 20 DBED Cc1cccc2c1C[C@H](C(=O)N[C@@H]1CN(CC#N)C[C@@H]1O)O2 1083958588 MYUUFHKEHGWYBY-VNHYZAJKSA-N 301.346 -0.017 30 20 DBED N#Cc1ccc(C(=O)NC[C@H]2C[C@H](N[C@H]3CCNC3=O)C2)[nH]1 1086344637 XYZUSNHECXVTTE-GAFUQQFSSA-N 301.350 -0.127 30 20 DBED C[C@@H]1[C@@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)CCN1CC#N 1089060444 MJAXUNFFRJOGBI-MNOVXSKESA-N 319.369 -0.918 30 20 DBED CCOCCC(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1O 1090386403 WXNIWDQDSWIYTA-VXGBXAGGSA-N 305.338 -0.559 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2ccc(=O)n(C)c2)[C@H](O)C1 1090390543 ICJFNCTZFYQJDZ-ZIAGYGMSSA-N 303.362 -0.426 30 20 DBED C=CCCC(=O)N[C@@H]1CN(c2cc(C)nc(CO)n2)C[C@H]1O 1090395588 ORKNUZXNDPXPPY-VXGBXAGGSA-N 306.366 -0.091 30 20 DBED C=CCN1CC[C@H](NC(=O)C2(N3CCOCC3)CCC2)[C@H](O)C1 1090685646 JYIGAMKKQJJMSE-LSDHHAIUSA-N 323.437 -0.021 30 20 DBED C#CCN1C[C@@H](C)[C@H](CNC(=O)[C@@H]2CC(=O)N(CCOC)C2)C1 1092654060 FUUOHHCQSBIGPZ-RBSFLKMASA-N 321.421 -0.201 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@H]2CN(c3ccc(C#N)nc3)C[C@H]12 1093265604 IZWJOMAMODWWFL-KBPBESRZSA-N 323.356 -0.356 30 20 DBED N#Cc1c(F)cccc1NCCNC(=O)CN1CC(=O)NC1=O 1093787461 DYPDBDFWLBZSCK-UHFFFAOYSA-N 319.296 -0.223 30 20 DBED CC#CCN1CC(n2cc(CNC(=O)[C@H]3CCCO3)nn2)C1 1094273223 MVJVCZDNHXIASJ-CQSZACIVSA-N 303.366 -0.047 30 20 DBED C#CCCN1CC(n2cc(CNC(=O)c3nc[nH]n3)nn2)C1 1094330505 JMBDXRSZPODSQM-UHFFFAOYSA-N 300.326 -0.794 30 20 DBED CC#CCN1CC(N2C[C@H](NC(=O)C[C@H]3CCOC3)CC2=O)C1 1094717872 PIEQBXYPLXIDBG-ZIAGYGMSSA-N 319.405 -0.162 30 20 DBED N#CCN1CC(N2C[C@H](NC(=O)C[C@H]3CCCOC3)CC2=O)C1 1094816350 AGJHZEXCYWYXKQ-CHWSQXEVSA-N 320.393 -0.272 30 20 DBED N#Cc1nc(=N[C@@H]2CCCN(C(=O)CCNC(N)=O)C2)cc[nH]1 1095295878 LHLQFZYKGJXSDB-SNVBAGLBSA-N 317.353 -0.769 30 20 DBED Cn1cnc(C(=O)NC[C@H](N=c2cc[nH]c(C#N)n2)C2CC2)n1 1096639883 WFWFAHVHEOUTDM-JTQLQIEISA-N 312.337 -0.481 30 20 DBED N#Cc1nccc(N2[C@H]3CC[C@H]2CC(NC(=O)CC(N)=O)C3)n1 1097118247 HTTDLMWTBNXJGU-QWRGUYRKSA-N 314.349 -0.160 30 20 DBED Cc1cc(C#N)nc(N[C@H](C)CNC(=O)C2CS(=O)(=O)C2)n1 1098070882 IOPOBOVYFAUBRO-SECBINFHSA-N 323.378 -0.382 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CCS(=O)(=O)C1)Nc1nccnc1C#N 1098136535 IJWUNZAACXAVBR-VHSXEESVSA-N 323.378 -0.300 30 20 DBED C[C@H](CNC(=O)[C@]1(C)CCNC1=O)N=c1cc[nH]c(C#N)n1 1098260679 HKYWIYWDVDKLIF-YMTOWFKASA-N 302.338 -0.787 30 20 DBED CC[C@H](NC(C)=O)C(=O)NC[C@H](C)N=c1cc[nH]c(C#N)n1 1098279375 UVLFOWYEKJTONZ-ONGXEEELSA-N 304.354 -0.399 30 20 DBED C=CCN(CCO)C1CCN(C(=O)[C@@]2(C)CCNC2=O)CC1 1098477847 MAWOCVHYAFQAAK-INIZCTEOSA-N 309.410 -0.016 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2cnccn2)[C@H](O)C1 1099622713 CFAWBZVDOZFBBY-TZMCWYRMSA-N 304.350 -0.709 30 20 DBED CCN(C)C(=O)CN1CC[C@H](NC(=O)C#CC(C)C)[C@@H](O)C1 1099821234 SCMKRINNMLXXTP-KBPBESRZSA-N 309.410 -0.325 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)CCCC=C)[C@H](O)C1 1099973264 ANMWGVIXZBGCET-ZIAGYGMSSA-N 307.394 -0.357 30 20 DBED CN(CCNC(=O)[C@H]1COC(=O)N1)c1ncc(C#N)cc1F 1100049539 KFIVAVHPHVGAJA-SNVBAGLBSA-N 307.285 -0.247 30 20 DBED COCC#CCN1CC[C@H](NC(=O)Cc2cncn2C)[C@@H](O)C1 1100074972 WIZJWRPNQKWYFI-GJZGRUSLSA-N 320.393 -0.836 30 20 DBED C=CCOCC(=O)NCC1CC(NCCN2CCNC2=O)C1 1100186782 KTPSRAYCRLNIHW-UHFFFAOYSA-N 310.398 -0.301 30 20 DBED C=CCCNC1CC(CNC(=O)[C@H](CCC(N)=O)NC(C)=O)C1 1100763079 GEWSUVPDNMGKEZ-RUXDESIVSA-N 324.425 -0.183 30 20 DBED C#CCCN1C[C@@H]2CN(C(=O)CCNC(=O)COC)C[C@]2(C)C1 1101257738 JSVODBURKHAPGQ-PBHICJAKSA-N 321.421 -0.057 30 20 DBED NC(=O)CN1CC2(C[C@H](NC(=O)C#CC3CC3)c3nccn32)C1 1101629154 LDILHAMRYCXWDK-LBPRGKRZSA-N 313.361 -0.646 30 20 DBED C=C(C)CN1C[C@@H](C)[C@H](CNC(=O)CN2CC(=O)NC2=O)C1 1102472598 LMSBAZGMIIHIEY-VXGBXAGGSA-N 308.382 -0.202 30 20 DBED CC[C@H](CNC(=O)CS(C)(=O)=O)Nc1nccnc1C#N 1102997168 DJBBVHNQTRYZCX-SECBINFHSA-N 311.367 -0.300 30 20 DBED CC(C)[C@@H](O)C(=O)NC[C@@H]1CN(c2nccnc2C#N)CCO1 1104305613 SOYPAJGDWMRWGY-DGCLKSJQSA-N 319.365 -0.313 30 20 DBED C[C@H](CNc1cnc(C#N)cn1)N(C)C(=O)CCn1cnnn1 1104647386 ICZQMJWEDGFCGD-SNVBAGLBSA-N 315.341 -0.316 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(n2cc(CNCCF)nn2)C1 1105240443 NKOLPDVARCRSBW-NSHDSACASA-N 309.345 -0.241 30 20 DBED C=CCCNCc1cn(C2CN(C(=O)[C@H]3CNC(=O)N3)C2)nn1 1105313558 DGVXZTQEQZEYIO-GFCCVEGCSA-N 319.369 -0.992 30 20 DBED Cc1cc(C#N)nc(N(C)CCN(C)C(=O)Cn2cnnn2)n1 1105344488 HDKSIBXLQAWLPG-UHFFFAOYSA-N 315.341 -0.762 30 20 DBED CN(CCN(C)c1cnc(C#N)cn1)C(=O)C1CS(=O)(=O)C1 1105479815 QLHZTWNUSFSYNP-UHFFFAOYSA-N 323.378 -0.713 30 20 DBED N#Cc1cncc(NC[C@@H](O)CNC(=O)C2CCC(O)CC2)n1 1105804024 JGLIRJUKZLCXER-KGPNIALWSA-N 319.365 -0.212 30 20 DBED C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1CNCc1nnnn1C 1105848320 VZZWXXFKYLJHRA-GHMZBOCLSA-N 323.426 -0.349 30 20 DBED C[C@@H]1CN(C(=O)c2cnsn2)C[C@H]1CNCC(=O)NCC#N 1105870650 SGQIHMSBGFXNJY-NXEZZACHSA-N 322.394 -0.524 30 20 DBED C#CCOCCC(=O)NC[C@H](O)CNc1nccc(OC)n1 1105966311 MMELVZQSAIAXTN-NSHDSACASA-N 308.338 -0.586 30 20 DBED COCC(C)(C)C(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1 1106022702 GQDHRGJLTBNBGD-JTQLQIEISA-N 307.354 -0.668 30 20 DBED CCC(=O)N[C@@H](C)C(=O)NC[C@H](O)CNc1cnc(C#N)cn1 1106141012 ULJXDAHCAOPCTB-GXSJLCMTSA-N 320.353 -0.848 30 20 DBED C=CCCN1CC(n2cc(CNC(=O)CN(C)C(C)=O)nn2)C1 1107132111 KGEPBCAVQFLWSD-UHFFFAOYSA-N 320.397 -0.195 30 20 DBED C[C@H](CNc1cnc(C#N)cn1)NC(=O)CC1CS(=O)(=O)C1 1107995393 BAEDGNANRFIKLP-SECBINFHSA-N 323.378 -0.300 30 20 DBED C[C@H](CNc1ccc(C#N)nn1)NC(=O)[C@H]1CCS(=O)(=O)C1 1108000993 JUZPQHGMLYNAHM-ZJUUUORDSA-N 323.378 -0.300 30 20 DBED Cc1nsc(NC[C@H](C)NC(=O)Cn2cnnn2)c1C#N 1108247392 PKLGRWBWTHZQIN-ZETCQYMHSA-N 306.355 -0.074 30 20 DBED C=CCNC(=O)CN1CCO[C@@](C)(CNC(=O)c2cnon2)C1 1108291418 PWOMWJBSMRIPMD-AWEZNQCLSA-N 323.353 -0.808 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)CN1CCCCC1=O 1108795496 CCEZBTHXFZWKEV-NSHDSACASA-N 316.365 -0.301 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H](C)NC(C)=O 1108901131 WRVGRMAULVLMJJ-ATGSNQNLSA-N 307.394 -0.118 30 20 DBED CN(CCCNc1cnc(C#N)cn1)C(=O)C1CS(=O)(=O)C1 1109531576 NANSEYTWPISGOK-UHFFFAOYSA-N 323.378 -0.347 30 20 DBED C[C@]1(NC(=O)CNC(N)=O)CCN(c2ccc(C#N)nc2)C1 1110708890 OELSJXNKUVWUGW-AWEZNQCLSA-N 302.338 -0.293 30 20 DBED C[C@H](C#N)C(=O)NC[C@@]1(O)CCN(c2ccnc(C#N)n2)C1 1111042212 QMOGXWRMHZADRD-YGRLFVJLSA-N 300.322 -0.435 30 20 DBED COCC(=O)NC[C@H]1CN(c2cc(C)ncc2C#N)C[C@H]1O 1112692765 RMBKHEXCZGCXQR-GXTWGEPZSA-N 304.350 -0.179 30 20 DBED CC#CCN1CCN(C(=O)C(C)(C)NS(C)(=O)=O)CC1 1113415319 YANZCICXKYVDKZ-UHFFFAOYSA-N 301.412 -0.518 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3ccccc3O)[C@H]2C1 1113867184 KWSOZYUWQTVCSD-VIKVFOODSA-N 313.357 -0.198 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)CC(F)(F)F)[C@H]2C1 1113980135 XIWNIGPQBYMONC-IUCAKERBSA-N 303.284 -0.265 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3ocnc3C)[C@H]2C1 1114101671 TUBVWTJEBHNOLZ-PJXYFTJBSA-N 302.334 -0.608 30 20 DBED N#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)Cc3ccoc3)[C@H]2C1 1114166488 SQPDVFDIVLUMDH-JYAVWHMHSA-N 302.334 -0.492 30 20 DBED N#Cc1nc(=NCC2(NC(=O)C(N)=O)CCCCC2)cc[nH]1 1114177269 JPFYHQUYZDGHGZ-UHFFFAOYSA-N 302.338 -0.514 30 20 DBED Cc1cnccc1C(=O)NC1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]12 1114240606 YSEVESUQVBJURU-CHWSQXEVSA-N 313.361 -0.310 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)c3[nH]c(O)nc3C)[C@H]2C1 1114436819 OGRKAPMZJDYNHH-UWVGGRQHSA-N 319.365 -0.614 30 20 DBED C=C[C@@H](CC)CC(=O)N[C@H]1[C@@H]2CN(CC(=O)NC(N)=O)C[C@@H]21 1114725943 DTUWWYAPJYGQLH-KZWBYHQPSA-N 308.382 -0.170 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)COC3CCOCC3)[C@H]2C1 1114913348 WIQDXBYWNMPDFK-QLPKVWCKSA-N 322.405 -0.122 30 20 DBED CNC(=O)Cn1nc(NC(=O)C(=O)N(C)[C@H](C)CC#N)cc1C 1116727424 QTDXYQBFYJSDOR-SECBINFHSA-N 320.353 -0.363 30 20 DBED N#Cc1ncn(CCNC(=O)NCCOC[C@@H]2CCOC2)n1 1117297094 DTDSKAFZUJAIRU-LLVKDONJSA-N 308.342 -0.498 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N[C@H](C)CS(=O)(=O)CC 1117336031 SZCFIKZVHNXTIM-GFCCVEGCSA-N 312.391 -0.589 30 20 DBED C#CCCCCNC(=O)C(=O)N1CC[C@H](NC(=O)NC2CC2)C1 1117373969 BCYJRGQMCBYILG-ZDUSSCGKSA-N 320.393 -0.031 30 20 DBED COC1(CNC(=O)C(=O)N2CC[C@@](F)(C#N)C2)CCOCC1 1117439251 ZBFJCGVADLGRNA-CYBMUJFWSA-N 313.329 -0.238 30 20 DBED CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCO[C@@H](C#N)C1 1117616648 ORTUXQYGRFLOCV-STQMWFEESA-N 322.409 -0.026 30 20 DBED CCCNCCNC(=O)C(=O)NCCNc1ccc(C#N)cn1 1118044158 CUQMPZASVKVSPB-UHFFFAOYSA-N 318.381 -0.403 30 20 DBED CC1(C)C[C@H](NC(=O)C(=O)N2CC[C@](O)(CC#N)C2)CCO1 1118151941 RJVAOZFQKBBHGP-IAQYHMDHSA-N 309.366 -0.063 30 20 DBED C=C(C)CN(C)C(=O)C(=O)NC[C@@H]1CC[C@H](C(=O)N(C)C)O1 1118797629 OZCCNEBWZHMKHY-NWDGAFQWSA-N 311.382 -0.227 30 20 DBED C[C@]1(C#N)CCCN(C(=O)C(=O)N2CC(N3CCCC3=O)C2)C1 1120407308 USINTMZNYKFQQH-MRXNPFEDSA-N 318.377 -0.028 30 20 DBED N#Cc1cnc(N[C@@H](CO)CNC(=O)C[C@H]2CCCO2)cn1 1121100419 SXOHPKUBJUVOBR-VXGBXAGGSA-N 305.338 -0.194 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)[C@H]2CCCCO2)nn1 1121453744 DIQFELCIQXCPFV-VXGBXAGGSA-N 305.338 -0.194 30 20 DBED Cc1ncc(CC(=O)NC[C@H](CO)N=c2cc[nH]c(C#N)n2)o1 1122189704 JDSCIFCGGXUWRO-SNVBAGLBSA-N 316.321 -0.802 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)COCC 1122984023 FOAZVDXXUJMINV-SNVBAGLBSA-N 300.359 -0.871 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)Cn2cc(C)cn2)C1=O 1124287925 PWLMRPSEBXJOCD-ZDUSSCGKSA-N 305.382 -0.316 30 20 DBED CN1CC[C@H](C(=O)N(C)C[C@H](O)CNc2cncc(C#N)n2)C1 1124353084 TYUDQDQAFSRDGE-WCQYABFASA-N 318.381 -0.469 30 20 DBED CN(C[C@H](O)CNc1cnc(C#N)cn1)C(=O)c1csnn1 1124629129 YWFDRQVDULYUGR-SECBINFHSA-N 319.350 -0.255 30 20 DBED CC(C)[C@@H](O)C(=O)N(C)C[C@@H](O)CN(C)c1cnc(C#N)cn1 1125075878 TUTGJFFKWRRBRE-GXTWGEPZSA-N 321.381 -0.379 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)c1cncnc1 1126119525 VWWMISMTIHGIAH-SNVBAGLBSA-N 320.353 -0.804 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)C[C@@H]2CCC(=O)NC2)C1=O 1129256807 UTRUSMQDLDIGKG-STQMWFEESA-N 322.409 -0.605 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)Cc1cnccc1C 1129787138 ICARSQWEULNEQV-ZDUSSCGKSA-N 302.378 -0.224 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@H](n2ccnn2)[C@H](NCCCO)C1 1129829933 QBFAOJXAMBVASY-MJBXVCDLSA-N 321.381 -0.960 30 20 DBED C=CCNC(=O)CNCCNC(=O)Cc1cn2ccccc2n1 1130343890 RSIUEMWYJRGDRE-UHFFFAOYSA-N 315.377 -0.115 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)C[C@@H](C)NCc1ccn(C)n1 1134131359 VFMVOTQTIGBSBU-OLZOCXBDSA-N 319.409 -0.068 30 20 DBED C=CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)CNC(=O)NC 1134524997 URYVSCMTKFDJAQ-GHMZBOCLSA-N 313.402 -0.910 30 20 DBED C=CCOCCNCCNC(=O)[C@H]1CCCS(=O)(=O)C1 1134644665 RVXQKCJWQOVFOH-LBPRGKRZSA-N 304.412 -0.280 30 20 DBED C#CCN[C@H](C)C[C@H](C)NC(=O)Cn1nc2n(c1=O)CCCC2 1135879165 DYEWIYZDRDDIEX-OLZOCXBDSA-N 319.409 -0.113 30 20 DBED C#CCN[C@H](C)C[C@@H](C)NC(=O)CCCN1C(=O)CNC1=O 1146216192 IYKNZZMINXZZOF-VXGBXAGGSA-N 308.382 -0.176 30 20 DBED C[C@@H](C(=O)NC(N)=O)N1CCC2(CN(C(=O)C#CC3CC3)C2)C1 1147541166 KRDKBOXSUMMKTR-NSHDSACASA-N 318.377 -0.483 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)c1[nH]cnc1CC 1149448785 ZRZLQKZGCJFATQ-UHFFFAOYSA-N 322.369 -0.697 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1ccc(=O)n(CCC)n1 1150685231 JNRVXFBBOXOLML-UHFFFAOYSA-N 321.381 -0.725 30 20 DBED C#CCNC(=O)CNCCNC(=O)Cc1n[nH]c2ccccc12 1152267358 FLBSJTOWMGFKOT-UHFFFAOYSA-N 313.361 -0.439 30 20 DBED C=CCNC(=O)CN(CC)[C@H](C)CNC(=O)[C@H](COC)OC 1155105924 ZXSPEZNIBFBDHK-OLZOCXBDSA-N 315.414 -0.223 30 20 DBED CN(CC#N)C[C@H]1CCCCN1C(=O)C[C@@H]1CC(=O)NC1=O 1158971632 ZBTRMKJDZAAGDP-NWDGAFQWSA-N 306.366 -0.124 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)C[C@@H]1CCN(C)C1=O 1160592086 NRARCWPCZCVECX-OLZOCXBDSA-N 324.425 -0.359 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](C)CCCCNCCN1C(=O)CNC1=O 1169830477 AFJDVEIZODLUKO-NWDGAFQWSA-N 323.397 -0.038 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)[C@@H]2CCC(=O)N2)C1=O 1171616617 VARVBNSSGXTYHO-NWDGAFQWSA-N 308.382 -0.852 30 20 DBED Cc1nn[nH]c1C(=O)N[C@H](C)CCCCNCC(=O)NCC#N 1174614464 GNWZKMYGZNOEEK-SNVBAGLBSA-N 321.385 -0.369 30 20 DBED C#CCCNCCCC[C@@H](C)NC(=O)[C@@H]1CC(=O)NC(=O)N1 1175502333 HSPMLIWYQWSMIQ-NEPJUHHUSA-N 308.382 -0.128 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)COCCOCC 1177038398 OTXGTKHUJQRZMR-ZDUSSCGKSA-N 313.398 -0.727 30 20 DBED C=CCO[C@H](C)C(=O)NCCCNC[C@H](O)Cn1cccn1 1177277373 QWYVLNLGBPMSJJ-KGLIPLIRSA-N 310.398 -0.069 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)CNC(=O)CC)[C@H]1C 1178383607 BXQBVXUWOWEWKL-AGIUHOORSA-N 322.409 -0.771 30 20 DBED C#CCNC[C@]1(C)CN(C(=O)CN(C)S(C)(=O)=O)C[C@H]1C 1181659338 TUQJMEAKSGYCSR-TZMCWYRMSA-N 315.439 -0.415 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@@H](NCC(=O)NC(=O)NCC)C1 1182505143 QQHTYIXFVFUCJP-VXGBXAGGSA-N 324.381 -0.939 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H](CC)NC(C)=O)C1 1185807737 ZAPLGVULKKRLBT-CHWSQXEVSA-N 310.398 -0.606 30 20 DBED C=C(C)CCNCc1cn([C@H]2CCCN(C(=O)C(N)=O)C2)nn1 1185992219 GYRIWVZFHUSAFS-ZDUSSCGKSA-N 320.397 -0.017 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)C[C@@H](C)n2cccn2)C1 1186885090 CJUOZQHNMZAIJL-ZIAGYGMSSA-N 317.393 -0.226 30 20 DBED C=CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3cc[nH]n3)[C@@H]2C1 1186930812 NWNDANQQDBGCGP-WCQYABFASA-N 303.366 -0.142 30 20 DBED CN(CC(=O)NCC#N)[C@H]1CCN(C(=O)CSCC#N)C1 1188959042 NOLUWRCFDKKJPI-NSHDSACASA-N 309.395 -0.584 30 20 DBED C#CCCCC(=O)N1CC[C@@H](N(C)Cc2nc(=O)n(C)[nH]2)C1 1189909900 JHBSDKDBHJJNPI-GFCCVEGCSA-N 305.382 -0.055 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)[C@H](COC)OC)C1 1192267500 JGXBWXMJDALPRP-STQMWFEESA-N 313.398 -0.517 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2cccnn2)C1 1192997887 BCZCZQFUULMMJE-LBPRGKRZSA-N 301.350 -0.628 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2ccc(OCCOC)nc2)C1 1193535740 PGUCSZNRNBOBIN-ZIAGYGMSSA-N 319.361 -0.485 30 20 DBED C=CCO[C@H](C)C(=O)N1CC[C@@H](N(C)CC(=O)NC(N)=O)C1 1194397707 YNTIYIPGBVODGI-GHMZBOCLSA-N 312.370 -0.695 30 20 DBED C=CCNC(=O)[C@H](C)N1CCCN(C(=O)c2cnon2)CC1 1197511967 RPENYNMQTLFZQW-NSHDSACASA-N 307.354 -0.092 30 20 DBED C#CCN1CCCN(C(=O)CCC(=O)N2CCOCC2)CC1 1198046437 JZUAAXLFICBJCB-UHFFFAOYSA-N 307.394 -0.207 30 20 DBED Cc1cc(C(=O)NCC(=O)N[C@@H]2CN(CC#N)C[C@H]2O)c(C)o1 1198785393 OIXMNTBVOMDEQG-CHWSQXEVSA-N 320.349 -0.689 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)Cn2cc(C)cn2)CC1 1199545298 CSFUQNQQUCIUQE-UHFFFAOYSA-N 317.393 -0.478 30 20 DBED C=CCNC(=O)NC(=O)CNC1CCN(C(=O)[C@@H](C)C#N)CC1 1199826150 HBUCEXOKWRMXET-NSHDSACASA-N 321.381 -0.262 30 20 DBED C=C(C)CNC[C@H]1CN(C(=O)Cn2cnnc2O)CCCO1 1200300152 OZUVIEYGXMQOLL-LBPRGKRZSA-N 309.370 -0.233 30 20 DBED C=CCNC(=O)CNC[C@H]1CN(C(=O)c2cnco2)CCCO1 1201096653 JFSSECDCDHDGCD-LBPRGKRZSA-N 322.365 -0.203 30 20 DBED Cn1cnnc1COCC(=O)N1CCCO[C@@H](CNCC#N)C1 1201758481 NIOUVESCMPVZKY-LBPRGKRZSA-N 322.369 -0.938 30 20 DBED C=CCNC(=O)[C@@H](C)NC1CCN(C(=O)c2cnon2)CC1 1203022481 NYWUFOYBQWFSAK-SNVBAGLBSA-N 307.354 -0.046 30 20 DBED CC#CCNCC1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)CC1 1206932293 XORZEAPCBZRUID-ZDUSSCGKSA-N 313.423 -0.470 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 1207688063 LKEMCEBFMCKXJQ-ZIAGYGMSSA-N 308.426 -0.037 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)c2cnn(CC)n2)C1 1207979302 LWGJNBLWOIWCRB-GFCCVEGCSA-N 318.381 -0.758 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCC[C@H](NC[C@H](O)COC)C1 1208352874 RJMXPPMVOKQKGK-JYJNAYRXSA-N 323.437 -0.328 30 20 DBED CCc1nc[nH]c1C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1210687852 IWNYVJXMRIWUEY-ZYHUDNBSSA-N 318.381 -0.338 30 20 DBED C=CCOCCN1C[C@@H](NC(=O)c2cn(C)nn2)[C@H](OC)C1 1212214643 RXSQDGURJOMKME-DGCLKSJQSA-N 309.370 -0.553 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2nc(C)no2)C[C@H]1OC 1212255562 MUUURDXAXUVNDH-RAIGVLPGSA-N 322.365 -0.268 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)CCCN1C(=O)CCC1=O 1212365813 NKJNZQSEOPFWBA-VXGBXAGGSA-N 322.365 -0.745 30 20 DBED C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1NCC(=O)NCC#N 1214855891 QTCYKJGGCWRCHN-UXIGCNINSA-N 321.425 -0.597 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)c2[nH]ccc2C)C1 1219543519 MQCSUHUZDLZUKH-UPJWGTAASA-N 318.377 -0.764 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)CC2(COC)CC2)C1 1219602833 HKAPGMMMNSTVNT-KGLIPLIRSA-N 310.394 -0.386 30 20 DBED CCc1nc(C)c(C(=O)N[C@@H]2CN(CC#CCOC)C[C@@H]2O)o1 1220681572 KSUCKZBIDUZZQA-OLZOCXBDSA-N 321.377 -0.030 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)C[C@@H](C)n2cccn2)C1 1220715973 SGQRLNOBHRXKFH-KFWWJZLASA-N 320.393 -0.355 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)c2cn(CC)cn2)C1 1220770992 DCSZLBGKNRLVFR-OCCSQVGLSA-N 308.382 -0.120 30 20 DBED C=CCNC(=O)CN1CC[C@@H]2CN(C(=O)[C@@H]3CCOC3)[C@@H]2C1 1221423481 JPDYUHKFVXOYKK-MGPQQGTHSA-N 307.394 -0.142 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)[C@]2(C)CCOC2)CC1 1224970572 BCBAIJMCACCYHU-QGZVFWFLSA-N 321.421 -0.009 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)[C@H](CC)NC(C)=O)CC1 1229322862 UPLRKNSRCQLYRH-AWEZNQCLSA-N 322.409 -0.769 30 20 DBED C#CCN[C@@H]1CCCC[C@H]1NC(=O)CCCN1C(=O)CNC1=O 1230101264 YPHBEQGVIKBZHQ-CHWSQXEVSA-N 320.393 -0.031 30 20 DBED CCOCCNC(=O)CN1CC[C@@H]1CN(C)C(=O)[C@@H](C)C#N 1231246856 INFWEEVLNSNTRX-QWHCGFSZSA-N 310.398 -0.169 30 20 DBED CN(C[C@@H]1CCN1CC#N)C(=O)CCCN1C(=O)CCC1=O 1235024057 MCWFBHGHURJIHW-LBPRGKRZSA-N 306.366 -0.028 30 20 DBED CNCCCc1[nH]nc(NC(=O)CCNC(=O)COC)c1C#N 1253730606 HUHQBCNXAQTMGT-UHFFFAOYSA-N 322.369 -0.475 30 20 DBED C[C@@H](CCNC(=O)[C@@H](C)c1cnn(C)c1)NCC(=O)NCC#N 1281768175 IXCCKBLZPNZLBT-RYUDHWBXSA-N 320.397 -0.352 30 20 DBED C=CC[C@@H](NC(=O)c1cn(CC(=O)N(C)C)nn1)C(=O)OCC 1320419813 IPYQJYZNLZQEJJ-SNVBAGLBSA-N 323.353 -0.396 30 20 DBED CCN(CCC#N)C(=O)C(=O)Nc1cc(C)n(CC(=O)NC)n1 1320871040 ZGXYXTPKAOEWRR-UHFFFAOYSA-N 320.353 -0.362 30 20 DBED C=C(Br)CNC(=O)C(=O)NCCCC(=O)NC 1321720987 AGWMVAQLPKMYSO-UHFFFAOYSA-N 306.160 -0.346 30 20 DBED C[C@@H]1CN(C)C(=O)CN1C(=O)C(=O)NCc1ccc(C#N)cc1 1322410097 REZMJMBQCFMURW-LLVKDONJSA-N 314.345 -0.136 30 20 DBED C#CCOc1cccc(NC(=O)C(=O)NN2CC(=O)NC2=O)c1 1323042639 SSABWGUFBJXEGW-UHFFFAOYSA-N 316.273 -0.780 30 20 DBED Cn1[nH]cc2c(=NC(=O)C(=O)N3CCO[C@@H](C#N)C3)ccnc1-2 1323650174 HKASLPCRQXVEQU-VIFPVBQESA-N 314.305 -0.969 30 20 DBED Cc1cc(NC(=O)C(=O)N[C@H]2CNC(=O)C2)nn1CCC#N 1324370059 OMRZBQRFJSAERW-SECBINFHSA-N 304.310 -0.952 30 20 DBED CC(C)OC(=O)[C@H](C)CNC(=O)C(=O)N1CCO[C@H](C#N)C1 1325200565 NPYYZSRCOUBDQX-GHMZBOCLSA-N 311.338 -0.559 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)N[C@@H]2CCc3c[nH]nc3C2)CCO1 1328867692 YDKZMHFADJGNRB-MNOVXSKESA-N 303.322 -0.866 30 20 DBED CC#CCN(C)c1nnnn1C[C@H]1CC[C@@H](C(=O)N(C)C)O1 1335865648 GTLDCBDKFOVPTQ-NEPJUHHUSA-N 306.370 -0.232 30 20 DBED C=CCn1c([C@H]2CCC(=O)NC2)nnc1N1CCN(C)C(=O)C1 1338979831 DUEJVLOIGLDKDB-NSHDSACASA-N 318.381 -0.264 30 20 DBED C#CCNC(=O)C1CCN(C(=O)C(=O)NCCCCOC)CC1 1345031629 HBSJXZQLDCGAED-UHFFFAOYSA-N 323.393 -0.483 30 20 DBED C[C@@H]1C(=O)NCCN1C(=O)C(=O)NCc1ccc(C#N)c(F)c1 1345397379 JUYVQGBHKHMJHJ-SECBINFHSA-N 318.308 -0.340 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N[C@@H]1CCN(CCOC)C1 1346152597 MEPMZTXXRVKRFK-CQSZACIVSA-N 305.378 -0.692 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)[C@H]2CCc3nnc(O)n3C2)C1=O 1353678860 LRZAHLUIJCFDQL-WDEREUQCSA-N 319.365 -0.209 30 20 DBED CC(=O)NCC(=O)NCC(=O)Nc1nc2ccc(C#N)cc2[nH]1 1362741801 KOTBVWOJXSBNCP-UHFFFAOYSA-N 314.305 -0.375 30 20 DBED C=C(Cl)CN[C@H](C)[C@@H]1CN(C(=O)Cn2ncnn2)CCO1 1369143182 FPNWWBMQHOEARG-MNOVXSKESA-N 314.777 -0.369 30 20 DBED COC[C@H](O)CN1CCO[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 1374124784 PQANSRQRLBTVAL-OLZOCXBDSA-N 322.365 -0.676 30 20 DBED C[C@H](C#N)C(=O)NCCN(C)CC(=O)N(C)Cc1cnn(C)c1 1377128467 HVDVDKLRKKLQCV-GFCCVEGCSA-N 320.397 -0.414 30 20 DBED CC[C@@H](CNC(=O)c1cnn[nH]1)NC(=O)c1ccc(C#N)[nH]1 1390550727 JJBJSERBEKINJN-QMMMGPOBSA-N 301.310 -0.057 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)CS(C)(=O)=O)CCCC1 1390769119 DUAWHUJONSDXGQ-JTQLQIEISA-N 315.395 -0.264 30 20 DBED CN(CCN(C)C(=O)[C@H]1COC(=O)N1)C(=O)c1cc(C#N)c[nH]1 1391804255 XVFRVHJVRAJPCZ-LLVKDONJSA-N 319.321 -0.475 30 20 DBED C=C(Cl)CNC[C@@H](O)CN(C)C(=O)C1CN(C(C)=O)C1 1394735423 WUSXKFJORHCGBQ-GFCCVEGCSA-N 303.790 -0.374 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]1CNC(=O)CCn1cnccc1=O 1400486740 QMVANGKWHKVOOG-NEPJUHHUSA-N 317.349 -0.490 30 20 DBED Cc1ccc(CCNC(=O)Cn2cc(C#N)c(O)nc2=O)cn1 1411797199 RPVXPVRDZGTYQC-UHFFFAOYSA-N 313.317 -0.117 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CCCN2C(N)=O)C1 1414971533 KZNXBNIWXRBRFY-NAKRPEOUSA-N 307.354 -0.547 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](NC(=O)Cn1cnnn1)C1CCCC1 1417295392 PDEDQKHFZMPOBM-CMPLNLGQSA-N 319.369 -0.376 30 20 DBED COC(=O)NCC(=O)NCCN(C)C(=O)c1cc(C#N)c[nH]1 1448745213 VAVPHMZPESJBJM-UHFFFAOYSA-N 307.310 -0.569 30 20 DBED N#Cc1cn(CC(=O)N2CCC[C@@H](CCO)CC2)c(=O)nc1O 1469124156 ZBHNPWNYHMNPNO-LLVKDONJSA-N 320.349 -0.168 30 20 DBED C[C@@H]1CN(C(=O)CN(C)CCN(C)C(=O)[C@H](C)C#N)CCO1 1482586703 PQDKCJXLLOCYEP-CHWSQXEVSA-N 310.398 -0.216 30 20 DBED C=C(Cl)CN1CC(NC(=O)CN(C)CC(=O)NC(C)C)C1 1494416010 CIVQVQNEGLAERY-UHFFFAOYSA-N 316.833 -0.004 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H]1CNC(=O)CCN1CCOCC1 1529350883 QMALGZHQWTUZEK-KGLIPLIRSA-N 322.409 -0.024 30 20 DBED COC(=O)[C@H]1CN(C(=O)c2ccc(C#N)n2C)C[C@@H]1C(=O)O 1571085273 YKQBYKFJDOAINK-UWVGGRQHSA-N 305.290 -0.157 30 20 DBED C#C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)O)c([N+](=O)[O-])c1 1573303498 YJXXFHJESXELEF-SSDOTTSWSA-N 314.275 -0.435 30 20 DBED C[C@@H](C(=O)Nc1nn(C)cc1C#N)n1cnc(-c2nn[nH]n2)n1 1573755005 MTHRZMWORQVVSH-LURJTMIESA-N 313.285 -0.737 30 20 DBED C=CCC1(O)CN(C(=O)C[C@@H]2CS(=O)(=O)[C@H]3CNC[C@H]23)C1 1574899831 JFYHRESTUKWPMB-UTUOFQBUSA-N 314.407 -0.842 30 20 DBED C#CCN(C)CCCNC(=O)N1CC[C@]2(CC(C(=O)O)=NO2)C1 1588461072 FFXYZATYUNIZKC-HNNXBMFYSA-N 322.365 -0.044 30 20 DBED COC[C@]1(C(=O)O)CCN(C(=O)C(=O)N2CCC[C@H](C#N)C2)C1 1593958692 IJQOQBNQEKTAST-ABAIWWIYSA-N 323.349 -0.302 30 20 DBED N#C[C@@]1(NC(=O)[C@H]2CCCN(CC(=O)O)C2=O)CCSC1 1594602445 NZXVNMVJDXQESY-RNCFNFMXSA-N 311.363 -0.175 30 20 DBED C[C@H](C#N)C(=O)NCC1(Nc2cncc(-c3nn[nH]n3)n2)CC1 1602983134 FLSPEMMYLLHVCO-MRVPVSSYSA-N 313.325 -0.123 30 20 DBED C=CCOC[C@@H](NC(=O)CNC(=O)c1cccnc1)C(=O)O 1609432213 JFDIGVWNRRNZMT-LLVKDONJSA-N 307.306 -0.417 30 20 DBED C#CCCN1CCN(CCCNC(=O)[C@H]2CCC(=O)N2)CC1 1752341724 NVKWFPVKIQKVFD-CQSZACIVSA-N 306.410 -0.588 30 20 DBED COC[C@@H](C)C(=O)N1[C@H]2CC[C@H]1CN(CC(=O)NCC#N)C2 1752533088 ZPOZMEIPVMENIK-AGIUHOORSA-N 308.382 -0.416 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@H]1C[C@H](NC(=O)[C@H]2CCC(=O)N2C)C1 1752655658 VPAWVRPQPPYCMH-FDYHWXHSSA-N 322.409 -0.465 30 20 DBED N#CCNC(=O)CN1CCCC[C@H]1CNC(=O)[C@@H]1[C@H]2COC[C@H]21 1752821351 ZFFUNCZFYPWZHO-RMRHIDDWSA-N 320.393 -0.511 30 20 DBED C=CCCO[C@H](C)C(=O)NCCN(C)[C@H]1CCC(=O)NC1=O 1753044784 FOTBKYNFOFUBJB-NEPJUHHUSA-N 311.382 -0.179 30 20 DBED C[C@H]1C[C@H](C(=O)NCCN(CC(=O)NCC#N)C2CC2)CO1 1753155853 RYXOGMOLKMBYEK-RYUDHWBXSA-N 308.382 -0.368 30 20 DBED CC(C)N(CCCNC(=O)[C@@H]1CCOC1)CC(=O)NCC#N 1753285136 XYFXZZHXCUVNQI-CYBMUJFWSA-N 310.398 -0.121 30 20 DBED COc1cccc(C(=O)NC2CN(CC(=O)NCC#N)C2)c1F 1753389653 NNJVMFLCUJARNB-UHFFFAOYSA-N 320.324 -0.112 30 20 DBED C[C@@H](CNCCN1C(=O)CCC1=O)N(C)C(=O)C#CC1CC1 1753689977 RIACALHBAMNKKJ-LBPRGKRZSA-N 305.378 -0.015 30 20 DBED C#CCCN[C@@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C[C@@H]1C 1753767047 BWDJOWKJBCUYHE-NWDGAFQWSA-N 318.381 -0.773 30 20 DBED C#CCNC[C@@H](O)CNC(=O)C1(n2cnnn2)CCCCC1 1753923027 AVEQYYUGUZDPSG-GFCCVEGCSA-N 306.370 -0.968 30 20 DBED C=CCNC(=O)CN1CC([C@@H](C)NC(=O)c2n[nH]cc2F)C1 1755386477 QJMKYRMXLJQHGF-SECBINFHSA-N 309.345 -0.099 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H](C)CN(C)C(=O)c1cc(C)ncn1 1755581755 NNZCZHHGPQCYKD-CHWSQXEVSA-N 317.393 -0.027 30 20 DBED C#Cc1ccccc1CC(=O)NC[C@H](CO)NCC#CCOC 1755644994 JAAPZGGKDKXBLR-QGZVFWFLSA-N 314.385 -0.073 30 20 DBED C#CCCCC(=O)N(C)C[C@H]1CCCN1C(=O)[C@H]1CNC(=O)N1 1755926921 VEUZRWQEQUMMPT-CHWSQXEVSA-N 320.393 -0.079 30 20 DBED C#CCOCCC(=O)NCC1[C@@H]2CN(C(=O)[C@@H](C)OC)C[C@@H]12 1756202295 WXYIZVKOXJXLKY-XBFCOCLRSA-N 308.378 -0.118 30 20 DBED N#CCCC(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3C[C@@H](O)C3)C2)C1 1778128441 ANAKLVZRXPGPMX-DVOMOZLQSA-N 321.377 -0.109 30 20 DBED C#CC[C@@H](NC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1)C(=O)O 149693109 BSZOGNIALASVEW-HTQZYQBOSA-N 306.240 -0.010 30 20 DBED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCO[C@@H](C#N)C2)CC1 246217278 ZFWWDKNBNDHPOK-LSDHHAIUSA-N 319.409 -0.097 30 20 DBED CCN1CCN(C(=O)C(=O)Nc2ccn(CCC#N)n2)CC1=O 273328071 MTPPNKXINQFJAW-UHFFFAOYSA-N 318.337 -0.574 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H](C)CCOC)C1=O 286171549 BTXBVYPBKAAQED-RYUDHWBXSA-N 311.382 -0.227 30 20 DBED CC#CCN(C)C(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cnn(C)c1 294702999 XMGKODCHJOWBJN-UONOGXRCSA-N 304.350 -0.200 30 20 DBED Cn1c(N2CCO[C@@H]([C@H]3CCCO3)C2)c(C#N)c(=O)n(C)c1=O 301622913 YNSWUYNADKUTDM-VXGBXAGGSA-N 320.349 -0.660 30 20 DBED Cc1nc2n(n1)C[C@@H](N/C(O)=N/CCN1C(=O)CCC1=O)CC2 329408174 ZTQGIWGAGNZARJ-JTQLQIEISA-N 320.353 -0.446 30 20 DBED C[C@@H](CS(C)(=O)=O)N(C)/C(O)=N/CC(=O)N1CCCC1 330740580 PASNLXINQZFKTK-JTQLQIEISA-N 305.400 -0.112 30 20 DBED C[C@H](N/C(O)=N/CCC(=O)N1CCOCC1)C(=O)N(C)C 331138137 SPXPCOISECRSHJ-JTQLQIEISA-N 300.359 -0.784 30 20 DBED COC(=O)[C@@H]1CC[C@@H](NS(=O)(=O)N2CCO[C@@H](C#N)C2)C1 337133422 AWNXGLSFLQXVCQ-MXWKQRLJSA-N 317.367 -0.613 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCC2=CCN(C)CC2)C1=O 343247315 HCPSXMQPXVDUNF-UHFFFAOYSA-N 320.349 -0.659 30 20 DBED Cc1cc(NC(=O)C(=O)N2CCO[C@H](C)C2)nn1CCC#N 343252124 OXENDCXFMITJLN-LLVKDONJSA-N 305.338 0.291 30 20 DBED COC(=O)[C@H](NCC(=O)NCC#N)c1ccc(OC)c(O)c1 351954022 OMNUDUZCGQAEDG-CYBMUJFWSA-N 307.306 -0.156 30 20 DBED C=CCNS(=O)(=O)c1ccc(C(=O)NCCC(N)=O)cc1 359702654 ZMCFWSLDMJBRTP-UHFFFAOYSA-N 311.363 -0.244 30 20 DBED C[C@@H]1CC[C@H](C(=O)O)CN1S(=O)(=O)N1CCO[C@H](C#N)C1 424383010 AGEXJGSDKKYURH-OUAUKWLOSA-N 317.367 -0.359 30 20 DBED C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N(C)CC(C)(C)C#N 433308858 VVQSUBWUUGNENT-SECBINFHSA-N 321.381 -0.281 30 20 DBED C=C(C)CS(=O)(=O)N1CC(n2cc(C(=O)OC)nn2)C1 435434645 ZECPOANQCJNOPB-UHFFFAOYSA-N 300.340 -0.173 30 20 DBED CC#CCNC(=O)C(=O)Nc1ccc(OCC(=O)NC)cc1 440600804 BUOTUBHPZRKTAF-UHFFFAOYSA-N 303.318 -0.111 30 20 DBED CN(C[C@H](O)CN1CCOCC1)S(=O)(=O)CCCCC#N 443379790 YYSQGZLZARMVGN-ZDUSSCGKSA-N 319.427 -0.365 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCc2cc(C)on2)C1=O 523381650 XTYGKIWVEJNILD-UHFFFAOYSA-N 306.278 -0.424 30 20 DBED N#Cc1ccccc1OC[C@@H](O)CN1CCO[C@H](C(N)=O)C1 528367183 QFPSSANJAGQEMN-JSGCOSHPSA-N 305.334 -0.516 30 20 DBED CC#CCCNC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 541746240 GZBNIRDDEXMARP-VXGBXAGGSA-N 312.391 -0.448 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)[C@@H]2CCc3nnnn3CC2)C1=O 569464653 SPASVTBJBBLDRZ-VXGBXAGGSA-N 318.381 -0.129 30 20 DBED C[C@@H]1CCN(C(=O)C(=O)N2CCO[C@H](C#N)C2)C[C@@H]1C(=O)O 577394441 ARRLGZCKUWKYPU-MXWKQRLJSA-N 309.322 -0.693 30 20 DBED N#Cc1ncn(CCNC(=O)[C@@]2(c3ccccc3)CNC(=O)C2)n1 582310076 YBMHVLKYVAMZJI-MRXNPFEDSA-N 324.344 -0.276 30 20 DBED CS(=O)(=O)Cc1nc(=NC(=O)N[C@@H]2CC[C@H](C#N)C2)o[nH]1 591603848 SUJXRCMEMVNZLT-JGVFFNPUSA-N 313.339 -0.150 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(C)Cc2cn[nH]c2)C1=O 603813280 JPNOKYZNKYOBIS-UHFFFAOYSA-N 305.294 -0.655 30 20 DBED Cn1nccc1C(=O)NCC#CCNC(=O)c1ccnn1C 680339730 LCQXMYUULLIIQE-UHFFFAOYSA-N 300.322 -0.683 30 20 DBED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCCNC(=O)C2)CC1 774606940 INYCBRSPZHUGQH-CQSZACIVSA-N 321.425 -0.499 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)CCn1c(C)cc(O)cc1=O 782293270 AVDLREUAYJBIHI-NSHDSACASA-N 306.318 -0.066 30 20 DBED Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)OCC1(C#N)CC1 803861361 RNOILXYNJGOBQD-UHFFFAOYSA-N 311.319 -0.298 30 20 DBED C#CCNC(=O)CN1C(=O)N[C@@](C)(CCC(=O)OCC)C1=O 804924501 QSGNHELIUBAQQS-AWEZNQCLSA-N 309.322 -0.610 30 20 DBED COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C=NOC)C1 809797609 NFCWOQGPCIIOHV-LLVKDONJSA-N 321.399 -0.482 30 20 DBED C#CCNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[nH]n1 823850230 LIAHGVUMOOIPIU-UHFFFAOYSA-N 303.330 -0.621 30 20 DBED CCC[C@@H](C(=O)N1CCN(C2CC2)[C@@H](C#N)C1)S(N)(=O)=O 827383448 GCOAFTTYHYXKFA-RYUDHWBXSA-N 314.411 -0.358 30 20 DBED C=C[C@@H](O)C(=O)NC[C@H](C)N(CC(F)F)C(=O)[C@H](O)C=C 834459378 ZNRCDPPENDIDPQ-IVZWLZJFSA-N 306.309 -0.321 30 20 DBED C=CCS(=O)(=O)NC(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1 860631661 ZNIODVCWHYFTNR-VIFPVBQESA-N 312.351 -0.595 30 20 DBED C#CC[C@H](CCOC)NC(=O)CN(C)S(=O)(=O)N(C)C 863780583 DHDVVDPKJNWZNS-LLVKDONJSA-N 305.400 -0.731 30 20 DBED CO[C@@](C)(C(=O)O)C(=O)NS(=O)(=O)c1cncc(C#N)c1 863962515 NNGFVMLLOJMLRB-LLVKDONJSA-N 313.291 -0.752 30 20 DBED C=CCS(=O)(=O)NC(=O)[C@H]1CNC(=O)C[C@H]1C(F)(F)F 873514579 ZAEQDKVJGJFKSH-NKWVEPMBSA-N 314.285 -0.067 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)NCC(F)F)CC1 879752850 URRVZACSPXXSLE-UHFFFAOYSA-N 310.326 -0.954 30 20 DBED C#CCNS(=O)(=O)N1CCN(Cc2nc(C)ccc2O)CC1 895915532 ATOHCLRCPJLYPA-UHFFFAOYSA-N 324.406 -0.319 30 20 DBED CS(=O)(=O)CC1CCC(NC(=O)NCC#CCO)CC1 923766424 NRDZUIHCKRUIAX-UHFFFAOYSA-N 302.396 -0.115 30 20 DBED C[C@@]1(CC(=O)N2CCN(CC#N)CC2)CCS(=O)(=O)N1 933236191 GRRSUUXHXZGAEN-LBPRGKRZSA-N 300.384 -0.874 30 20 DBED C#CC1(O)CN(CC(=O)NCC(=O)Nc2ccccc2CC)C1 934441188 NDPMJPHWTAHBAL-UHFFFAOYSA-N 315.373 -0.016 30 20 DBED O=C(C[C@H]1CCC(=O)N1)N[C@H]1CCN(C(=O)C#CC2CC2)C1 938255629 CHTIWBWYAJPAFM-OLZOCXBDSA-N 303.362 -0.214 30 20 DBED C#Cc1cncc(C(=O)N(C)[C@H]2CCN(C(=O)C(N)=O)C2)c1 939377498 YSCRNZVLXVORIF-LBPRGKRZSA-N 300.318 -0.779 30 20 DBED CO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1NC(=O)c1c(C)ncn1C 942155760 JPPCAWBHUJDVLI-MVWJERBFSA-N 319.365 -0.156 30 20 DBED N#Cc1cc(C(=O)N2C[C@H]3C[C@H]2[C@H]3NC(=O)c2nc[nH]n2)c[nH]1 947755652 IZALMPVIMPMDEW-MIMYLULJSA-N 311.305 -0.353 30 20 DBED C#CCCN1CC[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)C[C@H]1C 947986476 WSWQWBPZDRDTSE-TZMCWYRMSA-N 319.409 -0.117 30 20 DBED CN(C(=O)CN1CCNC(=O)C1)[C@H]1CCCN(CC#N)CC1 948669540 HYMHCJGPLNVKCR-ZDUSSCGKSA-N 307.398 -0.745 30 20 DBED CC#CCN1CCC2(CC1)CN(C(=O)[C@@H]1COC(=O)N1)CCO2 949084012 WZNZIBXRFULMOA-ZDUSSCGKSA-N 321.377 -0.189 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]1CNC(=O)c1cccn2nnnc12 950162970 PGQZDFJXRVKVMW-VHSXEESVSA-N 313.321 -0.385 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H](NC(=O)c2c[nH]c(C(N)=O)c2)C1 951872160 HRKARLWYBICVCT-MWLCHTKSSA-N 317.349 -0.006 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CCC[C@H](C1)N2C(=O)[C@@H]1CNC(=O)N1 952785644 ONOWTBCNOLPAOO-WYUUTHIRSA-N 319.365 -0.581 30 20 DBED CN1C[C@@H](C(=O)N(C)C2CN(C(=O)C#CC3CC3)C2)CC1=O 954489205 KWMBETMAXXKCOB-LBPRGKRZSA-N 303.362 -0.453 30 20 DBED C[C@@H](C#N)C(=O)N1CC(N(C)C(=O)[C@]2(C)CCNC(=O)C2)C1 954653562 QWBKHZDNARQFEZ-ZUZCIYMTSA-N 306.366 -0.268 30 20 DBED C[C@H](C#N)C(=O)N1CC(N(C)C(=O)CN2CCCNC2=O)C1 954735038 IAVOYNQXWVGBGP-SNVBAGLBSA-N 307.354 -0.769 30 20 DBED C=C(Cl)CN1C[C@H](CNC(=O)c2ccc(O)nn2)[C@@H](O)C1 957845661 BKPBBCMLIWUGKB-ONGXEEELSA-N 312.757 -0.043 30 20 DBED COc1nc(C)ccc1C(=O)NC[C@H]1CN(CC#N)C[C@H]1O 958458408 IIQXKMGSQZPFSE-WCQYABFASA-N 304.350 -0.055 30 20 DBED O=C(C#CC1CC1)N1C[C@H]2CN(C(=O)[C@H]3COCCO3)C[C@H]2C1 961063419 HWAQSSKRQHYXFP-QLFBSQMISA-N 318.373 -0.268 30 20 DBED Cc1nn[nH]c1C(=O)NC[C@@H]1COCCN1C(=O)[C@@H](C)C#N 964284248 BGYDQBFWVYTURU-WCBMZHEXSA-N 306.326 -0.770 30 20 DBED C[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1NC(=O)Cn1cncn1 966407218 HQJAOMRIHXSAPY-AAEUAGOBSA-N 301.350 -0.345 30 20 DBED C=C1CC(C)(C(=O)N2C[C@@H](C)[C@@H](NC(=O)Cn3cnnn3)C2)C1 966795784 RVLGUKUWGHDTAQ-NEPJUHHUSA-N 318.381 -0.008 30 20 DBED C[C@H](C#N)C(=O)N1CC(N2CCN(C(=O)C(F)F)CC2)C1 967167823 VXDATWSNPVLLBB-SECBINFHSA-N 300.309 -0.234 30 20 DBED C=CCN1CC[C@@H](C)[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 968374001 KGWZCKRUDAUKKV-DGCLKSJQSA-N 320.393 -0.290 30 20 DBED CN(Cc1nnn(C)n1)[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 971291294 HXWBMIWWYIAHLB-NSHDSACASA-N 314.353 -0.244 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCC(=O)N3C)C2)C1 972657841 BIAMSDILQBMCRJ-YOEHRIQHSA-N 319.405 -0.066 30 20 DBED C[C@H](C(N)=O)N1C[C@H]2[C@H](CNC(=O)c3cc(C#N)c[nH]3)[C@H]2C1 977972334 CXBJJMYFVIICPU-HKWIRBFKSA-N 301.350 -0.332 30 20 DBED C#Cc1ccc(C(=O)N(C)[C@@H]2CCCN(C(=O)C(N)=O)C2)nc1 984571508 HXOCHOZNLVXPHI-GFCCVEGCSA-N 314.345 -0.389 30 20 DBED C[C@@H]1[C@@H](NC(=O)Cc2nc[nH]n2)CCN1C(=O)C#CC1CC1 990319928 XJGLLTWHUISDKD-PWSUYJOCSA-N 301.350 -0.134 30 20 DBED C#CCN1CCC(C(=O)N[C@H]2CCN(C(=O)CC)C[C@H]2O)CC1 991550202 YUQVSQOSHFMKBP-LSDHHAIUSA-N 321.421 -0.180 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)COC)C[C@@H]2O)cn1 991635063 FSQATABRSSEIKE-KBPBESRZSA-N 317.345 -0.599 30 20 DBED C=CCN1CC[C@]2(NC(=O)[C@H]3CCS(=O)(=O)N3)CCC[C@H]12 992501323 QSPFETAWTUUGGQ-MBNYWOFBSA-N 313.423 -0.023 30 20 DBED C[C@H](C#N)C(=O)N1CC(NC(=O)[C@H]2CCc3nn[nH]c3C2)C1 996393033 VTEUNDIVXHKGJO-BDAKNGLRSA-N 302.338 -0.604 30 20 DBED C[C@H](C(=O)N(C)C1CCN(CC#N)CC1)N1C(=O)CCC1=O 1005475098 KYKGBWFMRKZXRA-LLVKDONJSA-N 306.366 -0.030 30 20 DBED Cn1nnnc1CN1CCC[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 1007132944 CZESHCHNPGALLS-NSHDSACASA-N 314.353 -0.196 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@]2(CN(C(=O)c3nc[nH]n3)CCO2)C1 1007710442 HQDFRMJRDJNKQJ-IINYFYTJSA-N 318.337 -0.592 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C(=O)[C@H]2CCCN(C(N)=O)C2)CC1 1011494374 DGOPLONWSHELBW-RYUDHWBXSA-N 321.381 -0.392 30 20 DBED C[C@H](C#N)C(=O)N1CCC2(CN(C(=O)C[C@H]3CCC(=O)N3)C2)C1 1019183825 USJZWNLPBJRAKL-VXGBXAGGSA-N 318.377 -0.124 30 20 DBED C=C(C)CN[C@H]1CCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)C1 1019461300 NCYRSYCHQGIQMO-JTQLQIEISA-N 308.338 -0.826 30 20 DBED C=CCCn1cc(C(=O)N[C@H]2C[C@H](N[C@@H]3CCNC3=O)C2)nn1 1020714268 QDGGMYDCHATCNA-IJLUTSLNSA-N 318.381 -0.407 30 20 DBED CC[C@@H](OC)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 1023455247 QDLGQWTVJXESPC-JHJVBQTASA-N 320.349 -0.387 30 20 DBED C#CCN1CCC[C@H](CNC(=O)[C@@H]2COCCN2C(C)=O)C1 1023757331 CFGVTHDZBJIJBR-CABCVRRESA-N 307.394 -0.305 30 20 DBED N#CCN1CCC[C@@H]1CNC(=O)c1cn([C@@H]2CCOC2)nn1 1028250941 OKDIRGXDNASRRV-VXGBXAGGSA-N 304.354 -0.043 30 20 DBED C=CCn1cc(C(=O)NC2CN(Cc3cnnn3CC)C2)nn1 1031070348 ZEBYCXRYEQZRKI-UHFFFAOYSA-N 316.369 -0.310 30 20 DBED C=CCCn1cc(C(=O)NCC2CN([C@@H](C)C(=O)NC)C2)nn1 1032041959 HTCQVBNOIMTUOM-NSHDSACASA-N 320.397 -0.350 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)[C@H]2CC(=O)N(CC(C)C)C2)C1 1035391408 ONPXPHOCIDDCML-GJZGRUSLSA-N 321.421 -0.059 30 20 DBED C#CCCN1CC2(CCN(C(=O)C[C@@H]3NC(=O)NC3=O)CC2)C1 1035724401 GEKQJATZLYWLDZ-LBPRGKRZSA-N 318.377 -0.468 30 20 DBED N#CCN1CC[C@H]1CNC(=O)[C@@H]1COCCN1CC(F)F 1038552972 OOJYPOGLQXIJDT-QWRGUYRKSA-N 302.325 -0.334 30 20 DBED CCn1ncc(C(=O)NC[C@]2(O)CCN(C(=O)[C@@H](C)C#N)C2)n1 1039630858 CGRPKGWSPJUPEH-IINYFYTJSA-N 320.353 -0.849 30 20 DBED C=CCCn1cc(C(=O)NC[C@@]2(O)CCN(C(=O)CC)C2)nn1 1039831579 XTNVMWPZZNQIIT-HNNXBMFYSA-N 321.381 -0.043 30 20 DBED N#Cc1cnc(NC[C@@H]2C[C@H]3CC[C@H]2N(C(=O)C(N)=O)C3)cn1 1040019593 NBNQWUVQLBVPAT-JFGNBEQYSA-N 314.349 -0.127 30 20 DBED C#CCOCCC(=O)N1CC[C@@](O)(CNC(=O)[C@H](C)C#N)C1 1040759232 GGHBFPUARCLMPN-IUODEOHRSA-N 307.350 -0.734 30 20 DBED C[C@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)C2CCN(C)CC2)C1 1040759258 GNJYBTJQEYSEAM-WBMJQRKESA-N 322.409 -0.433 30 20 DBED C#CCCCCC(=O)N1CC(O)(CNC(=O)c2ccnn2C)C1 1041897405 HUUWVICQNFZNJL-UHFFFAOYSA-N 318.377 -0.083 30 20 DBED C#CCNC(=O)CC(=O)NCC1(O)CN(C(=O)C(C)(C)C=C)C1 1042672737 YHTFTTCLYBDASD-UHFFFAOYSA-N 321.377 -0.972 30 20 DBED C=C(Cl)CN1CC(N(C)C(=O)CN2CCOCC2=O)C1 1042934275 BSUQRFDBVMIUJP-UHFFFAOYSA-N 301.774 -0.260 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)C2(C)CCC2)C1 1043043510 MPBGKDOGFBNOBK-GFCCVEGCSA-N 308.378 -0.096 30 20 DBED C=CCCOCC(=O)N1CC(O)(CNC(=O)c2cc[nH]c2)C1 1043395815 VTTUDHSQLOEIFU-UHFFFAOYSA-N 307.350 -0.090 30 20 DBED N#Cc1cncc(N2C[C@H](O)[C@H](NC(=O)c3ccncc3)C2)n1 1043823025 HZPGZVYRGMPMHX-OLZOCXBDSA-N 310.317 -0.277 30 20 DBED N#Cc1cnc(N2C[C@H](O)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)cn1 1043891515 JNBJMHRYVYCSAW-OLZOCXBDSA-N 323.316 -0.472 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)[C@@H](C)CC(N)=O)C1 1044464520 PTUCMYOOUVRONJ-JTQLQIEISA-N 311.382 -0.600 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC(O)(CNC(=O)CCCF)C2)c1 1044841559 HQKNGDYIKLANKU-UHFFFAOYSA-N 308.313 -0.061 30 20 DBED CC(C)CO[C@@H](C)C(=O)N1CC(O)(CNC(=O)[C@H](C)C#N)C1 1045539989 BWXABEOQCKFAMD-NEPJUHHUSA-N 311.382 -0.103 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)[C@H]1CN(CC2CC2)C[C@@H]1O 1047415311 SEQZLPPNQMRGJX-JYJNAYRXSA-N 305.422 -0.003 30 20 DBED CN(C(=O)C#CC1CC1)[C@H]1CN(C(=O)c2ccnnc2)C[C@@H]1O 1048825075 RVOLDJNSFAKFFF-KBPBESRZSA-N 314.345 -0.466 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCOCC2CC2)C1 1048852094 DQMBOHCCRGPNNK-UBHSHLNASA-N 323.393 -0.007 30 20 DBED C=C(C)CCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCNC2=O)C1 1049159603 OMWGCRCAYCTNJE-AGIUHOORSA-N 323.393 -0.491 30 20 DBED Cc1ncncc1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)C#N)C1 1049389487 YCEZMJLGMXKNFZ-ICCXJUOJSA-N 317.349 -0.412 30 20 DBED CNC(=O)NCC(=O)N1CC[C@@H]([C@H](C)NC(=O)C#CC2CC2)C1 1050934892 QKVXOKVIBHCLTR-WCQYABFASA-N 320.393 -0.318 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)[C@@]1(C)CCNC(=O)C1)CCO2 1053308908 SXZVVSIDFPDRRF-INIZCTEOSA-N 319.405 -0.161 30 20 DBED COc1cncc(C(=O)N2CCOC3(CN(CC#N)C3)C2)n1 1053458586 VEHVOXDZVJPLFP-UHFFFAOYSA-N 303.322 -0.464 30 20 DBED CC#CCN1CC2(CC[C@H](CNC(=O)[C@@H]3CN(C)C(=O)N3)O2)C1 1053642955 QAWRRHLGNNKNLH-OLZOCXBDSA-N 320.393 -0.617 30 20 DBED CC(=O)N1CC[C@H](C(=O)NC[C@H]2CCC3(CN(CC#N)C3)O2)C1 1053689918 FNTMFTOACGSHMV-UONOGXRCSA-N 320.393 -0.272 30 20 DBED C=CCN1CC2(C[C@@H](NC(=O)c3cccn4nnnc34)CO2)C1 1053814891 ZDGFBIUDNNBOQF-LLVKDONJSA-N 314.349 -0.117 30 20 DBED C#CCN[C@H]1CN(C(=O)CCc2nnc(O)nc2O)C[C@@H]1C 1054847237 DXPYJMPMLFVYLN-ONGXEEELSA-N 305.338 -0.715 30 20 DBED CCNC(=O)CC(=O)N1C[C@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2C1 1055294858 WKADYAQPWJHPBQ-UTUOFQBUSA-N 306.366 -0.411 30 20 DBED N#Cc1nccnc1N1CCN(C(=O)[C@@H]2COC(=O)N2)CC1 1055785496 KJZAYUNWMRRFGO-JTQLQIEISA-N 302.294 -0.895 30 20 DBED C=CCCC(=O)N[C@@]1(CO)CCCN(C(=O)Cn2nccn2)C1 1055824496 VCZDPNNNIHLHNI-HNNXBMFYSA-N 321.381 -0.286 30 20 DBED N#Cc1ccc(N2C[C@H]3[C@H](NC(=O)[C@@H]4CCNC4=O)[C@H]3C2)cn1 1056356916 XMLCCDKTAVFLGP-MQYQWHSLSA-N 311.345 -0.360 30 20 DBED CC(C)(C(N)=O)C(=O)N1CC[C@@H](N=c2cc[nH]cc2C#N)C1 1056720563 XKZFOPFARRXQJT-LLVKDONJSA-N 301.350 -0.101 30 20 DBED Cc1c(C(=O)N(CCO)CCNC(=O)C#CC(C)C)cnn1C 1056975282 ZCPHCJAFFGPGLM-UHFFFAOYSA-N 320.393 -0.061 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)[C@@H](C)n1cccn1 1057049683 ONNVGQDQZPGSKI-CYBMUJFWSA-N 324.381 -0.416 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)[C@]1(C)CCOC1 1057194455 DHLDNJWKVAQSPI-OAHLLOKOSA-N 314.382 -0.447 30 20 DBED C#CCCCCC(=O)N(CCO)CCNC(=O)CNC(C)=O 1057387770 SITNQPHZPDRNGL-UHFFFAOYSA-N 311.382 -0.747 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)[C@@H]1CCNC(=O)C1 1057439172 AMMFACCQGNLCIU-CYBMUJFWSA-N 323.393 -0.747 30 20 DBED C#CCO[C@H](C)C(=O)N(CCO)CCNC(=O)[C@H]1CC12CC2 1057584543 NMOKMTCHAGWSSW-CHWSQXEVSA-N 308.378 -0.238 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)Cc1cncn1C 1058159775 WPFIOUKVVWXRIU-UHFFFAOYSA-N 324.381 -0.898 30 20 DBED C=CCO[C@H](C)C(=O)NCCN(CCO)C(=O)c1cnco1 1058197559 BVLXDRFMYITJDA-LLVKDONJSA-N 311.338 -0.184 30 20 DBED Cc1cnn(C)c1C(=O)N(CCO)CCNC(=O)C#CC(C)C 1058427550 WWAVREPIZOGIMI-UHFFFAOYSA-N 320.393 -0.061 30 20 DBED N#Cc1nccnc1N1CC[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 1058545151 PSGPULWSWIHXCA-BBBLOLIVSA-N 300.322 -0.835 30 20 DBED C#CCCCC(=O)N1CC[C@@H](CCNC(=O)c2nnn(C)n2)C1 1059553036 KKRQUOKBMMKLHU-GFCCVEGCSA-N 318.381 -0.018 30 20 DBED C[C@@H](N=c1cc[nH]c(C#N)n1)[C@@H]1CCCN(C(=O)CC(N)=O)C1 1063874806 NPUSJJBCQXJLGL-GHMZBOCLSA-N 316.365 -0.315 30 20 DBED Cc1cc(C#N)nc(N2CC[C@H]3CCN(C(=O)C(N)=O)C[C@@H]32)n1 1064699726 ZQYRPXBSLFYYCX-PWSUYJOCSA-N 314.349 -0.431 30 20 DBED C=CCCOCC(=O)N1CCO[C@H](CNC(=O)[C@@H](C)OC)C1 1065280916 TVHNBJAXEBEJIN-CHWSQXEVSA-N 314.382 -0.042 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CCCN(C(=O)c2nnn(C)n2)CC1 1066480636 GJTYYJRMGNISHF-UWVGGRQHSA-N 305.342 -0.519 30 20 DBED N#Cc1cccnc1N1C[C@@H](O)[C@H](CNC(=O)c2cn[nH]c2)C1 1067652190 WOIYDBSCGJEGCF-CHWSQXEVSA-N 312.333 -0.097 30 20 DBED C#CCO[C@H](C)C(=O)N1CC2(CC[C@H](CNC(=O)COC)O2)C1 1068493280 SFOPLDMVTPSAJU-CHWSQXEVSA-N 324.377 -0.453 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@]2(C)CCOC2)C1 1070064342 MJQNCKKODNGSFT-VNHYZAJKSA-N 303.366 -0.321 30 20 DBED C=CCN[C@@H]1CN(C(=O)c2cn(C)c(O)n2)C[C@@H]1n1ccnn1 1070267462 FASWJOCNPLVITO-PWSUYJOCSA-N 317.353 -0.442 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)[C@H]4CCC(=O)N4)C[C@@]3(C1)O2 1070776259 HQNKGACLCQZPCW-VPWBDBDCSA-N 303.362 -0.800 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)[C@H]2CCCCO2)CC1 1070955030 HGLDFYXFRQHTMH-CQSZACIVSA-N 307.394 -0.161 30 20 DBED C=C[C@@](C)(CCOC)C(=O)N[C@@H]1CCCN(C(=O)C(N)=O)C1 1071222113 FOTCISKHFPQIOF-ABAIWWIYSA-N 311.382 -0.192 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H](NC(=O)CCN2CCOCC2)C1 1071229734 YGNCYAJASGNMBB-UONOGXRCSA-N 322.409 -0.024 30 20 DBED CC#CCN1C[C@H](NC(=O)CN2C(=O)CNC2=O)CC[C@@H]1C 1072054316 ATEMQWFSYDLAQK-NWDGAFQWSA-N 306.366 -0.469 30 20 DBED C#CCCN1CCC2(C1)CN(C(=O)[C@H]1CCS(=O)(=O)C1)C2 1072902977 JUYZHJLFRXARSS-ZDUSSCGKSA-N 310.419 -0.021 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)CCN(C)CC 1076218054 UMDCBKDRVXYHHU-ZDUSSCGKSA-N 324.425 -0.521 30 20 DBED C#CCO[C@@H](C)C(=O)NCC[C@H](C)NC(=O)c1cnn(C)c1N 1076510340 JMCFCBJSDPHMHU-QWRGUYRKSA-N 321.381 -0.335 30 20 DBED C#CCCN1C[C@@H]2CCN(C(=O)[C@H]3CN(C(C)=O)CCO3)[C@@H]2C1 1076517076 HQOCEGKXHNRAOD-ARFHVFGLSA-N 319.405 -0.210 30 20 DBED C[C@@H](CCNC(=O)Cn1ncnn1)NC(=O)c1c[nH]c(C#N)c1 1076649693 WKULSIBMFIPPQS-VIFPVBQESA-N 316.325 -0.802 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2COCCN2CC2CCC2)C1 1077447523 BJHPYYPWPLBZSS-RBSFLKMASA-N 322.409 -0.828 30 20 DBED C#CCN[C@@H]1C[C@H](NC(=O)c2cn(C)c(=O)nc2O)C12CCC2 1078807413 WOKHPBYRDMLDRF-NEPJUHHUSA-N 316.361 -0.250 30 20 DBED N#Cc1cc(C(=O)N2C[C@H]3CC[C@H]2[C@@H](NCC(N)=O)C3)c[nH]1 1078924492 RXIMHVGDFWNRDF-XDTLVQLUSA-N 301.350 -0.046 30 20 DBED C#CCNC(=O)CC(=O)N1CC(N(CC)C(=O)[C@@H]2CCCO2)C1 1079262903 SJKDRIZAKSOEBC-ZDUSSCGKSA-N 321.377 -0.636 30 20 DBED C=CCCC(=O)N1CC(N(CC)C(=O)CN2CCNC(=O)C2)C1 1080212836 ITTISNIXYFJFLW-UHFFFAOYSA-N 322.409 -0.556 30 20 DBED C=CCOCC(=O)N1CC(N(CC)C(=O)[C@H]2CC[C@H]2C(N)=O)C1 1080214812 RQUZHDIQWMBGHL-OLZOCXBDSA-N 323.393 -0.240 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)Cn2cccn2)C1 1081253310 FCYVZYSYVPLSQO-CHWSQXEVSA-N 306.366 -0.215 30 20 DBED C#CCOCCC(=O)NC[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1081489131 QDAABIQCYDOSOO-LSDHHAIUSA-N 318.373 -0.625 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1cc(C(N)=O)ccn1 1082402070 RQQQYHBXDSFVGE-VXGBXAGGSA-N 303.322 -0.867 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CCCNC1=O 1083112266 UIAXECLEUGPZRZ-HZSPNIEDSA-N 305.378 -0.553 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)C[C@@H]1CCCC(=O)N1 1083137604 JNZQTSWIBUOMBG-SOUVJXGZSA-N 319.405 -0.020 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CCN(C)C1=O 1083168005 IUTAAFCHIAULQQ-MELADBBJSA-N 305.378 -0.600 30 20 DBED Cc1cn2ccnc(C(=O)N[C@@H]3CN(CC#N)C[C@@H]3O)c2n1 1083928857 DNINSDSJABEDNE-MNOVXSKESA-N 300.322 -0.664 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN([C@H](CC)C(N)=O)C[C@@H]2O)nc1 1083969710 RAJLVTJPPRVBBU-MCIONIFRSA-N 316.361 -0.898 30 20 DBED C=C(C)CN1CC[C@@H]1CN(C)C(=O)[C@H]1CCS(=O)(=O)N1 1085977447 VPMUJAFYQYOBAD-VXGBXAGGSA-N 301.412 -0.213 30 20 DBED CC[C@@H]1[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)CCN1CC#N 1087813821 ITAMUXBIIHHHFB-NWDGAFQWSA-N 306.370 -0.617 30 20 DBED C[C@@H](C[C@@H](C)Nc1cncc(C#N)n1)NC(=O)CNC(N)=O 1089214966 LVSZPZZLNXTNAB-BDAKNGLRSA-N 305.342 -0.288 30 20 DBED C[C@@H](C[C@H](C)NC(=O)c1cnn(C)n1)N=c1cc[nH]c(C#N)n1 1089348632 KXRDUHVHGDDHRS-UWVGGRQHSA-N 314.353 -0.092 30 20 DBED Cc1cc(=N[C@H]2CCN(C(=O)CNC(N)=O)[C@H]2C)c(C#N)c[nH]1 1090196691 PQQDSXLYGXXTKD-JQWIXIFHSA-N 316.365 -0.247 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2nc3ncc(C)cn3n2)[C@H](O)C1 1090349663 OZISZYNLCYEAOV-VXGBXAGGSA-N 314.349 -0.769 30 20 DBED COCCCC(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1O 1090375109 KZDLVJQOCVWTDW-VXGBXAGGSA-N 305.338 -0.559 30 20 DBED COCCn1ccc(C(=O)N[C@H]2CCN(CC#N)C[C@H]2O)n1 1090424096 WGWRXNQYVAZYRQ-WCQYABFASA-N 307.354 -0.782 30 20 DBED CC(C)OCC(=O)N[C@H]1CCN(c2ccnc(C#N)n2)C[C@@H]1O 1092141847 ADMIMSXUDRRPPS-RYUDHWBXSA-N 319.365 -0.171 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCN(c2nc(C)ns2)C[C@@H]1O 1092160977 BMTYBNHHJYEHDU-NEPJUHHUSA-N 324.406 -0.058 30 20 DBED CN1CC[C@H](C(=O)N[C@H]2CC3(CN(CC#N)C3)n3ccnc32)C1 1092413567 WHTCJJAVOUHSOF-STQMWFEESA-N 314.393 -0.070 30 20 DBED CCS(=O)(=O)CC(=O)N1CCN(c2ccc(C#N)nn2)CC1 1093158735 LCHOQOSGUNUZMF-UHFFFAOYSA-N 323.378 -0.568 30 20 DBED C#CCNC1CCC2(CC1)CN(C(=O)Cn1cnnn1)CCO2 1093390587 SVKCVRWVJIASAA-UHFFFAOYSA-N 318.381 -0.564 30 20 DBED CC#CCN1CC(OC2CCN(C(=O)Cn3cncn3)CC2)C1 1093595978 XTBLDVZFCAYDCU-UHFFFAOYSA-N 317.393 -0.007 30 20 DBED N#Cc1cnc(NCCNC(=O)[C@@H]2CCCCN2C(N)=O)cn1 1093856006 LILOFJPDTCCYHH-NSHDSACASA-N 317.353 -0.190 30 20 DBED N#Cc1c[nH]ccc1=NCCNC(=O)c1ccn2nnnc2c1 1094032807 WMJJASFHPFMBPY-UHFFFAOYSA-N 308.305 -0.345 30 20 DBED CN(CC(=O)NCCNc1cncc(C#N)n1)C(=O)C1CC1 1094190817 XYZWHKMSYHVPKW-UHFFFAOYSA-N 302.338 -0.255 30 20 DBED N#Cc1cnc(NCCNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)cn1 1094301771 LCQNCBUXFFSKPG-VHRBIJSZSA-N 317.349 -0.072 30 20 DBED C=CCN1CC[C@@H](N2CC(N3C[C@@H](NC(C)=O)CC3=O)C2)C1=O 1094686978 HBRGNKXBIYIHMI-GXTWGEPZSA-N 320.393 -0.806 30 20 DBED Cc1cc(CC(=O)N[C@H]2CC(=O)N(C3CN(CC#N)C3)C2)n[nH]1 1094719843 GLTOXTLCSIVKEQ-LBPRGKRZSA-N 316.365 -0.815 30 20 DBED CNC(=O)CC(=O)N1CC[C@H](N(C)c2ccc(C#N)nn2)C1 1095112057 CGBKWFYVYHXSGV-NSHDSACASA-N 302.338 -0.479 30 20 DBED CNC(=O)C1(C(=O)NCCCN(C)c2cnc(C#N)cn2)CC1 1095588454 DCFAICFGARENFT-UHFFFAOYSA-N 316.365 -0.183 30 20 DBED N#Cc1cncc(N(CCCNC(=O)CC(N)=O)C2CC2)n1 1096017709 DHRJJWZPCNHQNZ-UHFFFAOYSA-N 302.338 -0.301 30 20 DBED Cc1cc(C#N)nc(N2CCC[C@H](NC(=O)CNC(N)=O)C2)n1 1096137372 BJPVSIBQQQQMNX-JTQLQIEISA-N 317.353 -0.590 30 20 DBED CNS(=O)(=O)CC(=O)N[C@@H]1CCN(c2ccc(C#N)cn2)C1 1096382724 QHTLOZFAKLAZID-LLVKDONJSA-N 323.378 -0.803 30 20 DBED CN(C)C(=O)CC(=O)N[C@H]1C[C@@H](N=c2cc[nH]cc2C#N)C1 1097257704 SRMHPXQRCJQFQJ-TXEJJXNPSA-N 301.350 -0.087 30 20 DBED C[C@@H](CNC(=O)C1CC(=O)NC(=O)C1)N=c1cc[nH]cc1C#N 1097936941 OLRWVBDNRQDYNT-VIFPVBQESA-N 315.333 -0.655 30 20 DBED C[C@H](CNC(=O)COCCN(C)C)N=c1cc[nH]cc1C#N 1097953469 CSBXNYCTPVWPJF-GFCCVEGCSA-N 305.382 -0.130 30 20 DBED CNC(=O)CNCc1cn([C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)nn1 1098632955 GYFMUMFJONCOAL-CMPLNLGQSA-N 319.369 -0.953 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)CC(F)(F)F)[C@H](O)C1 1099713879 ZKQZEYVJAIGRRK-NXEZZACHSA-N 323.315 -0.208 30 20 DBED CCCNC(=O)CN1CC[C@@H](NC(=O)C#CC(C)C)[C@@H](O)C1 1099821463 VEGPEIWUEFGLJT-KGLIPLIRSA-N 309.410 -0.277 30 20 DBED C#CCN1CC[C@H](NC(=O)COCc2ncc(C)o2)[C@@H](O)C1 1099914020 QBUATSWQNCNBAA-STQMWFEESA-N 307.350 -0.316 30 20 DBED C=C(C)C(C)(C)C(=O)N[C@H]1CCN(Cc2nnn(C)n2)C[C@@H]1O 1099947553 XUEXSZSTVLPQLZ-RYUDHWBXSA-N 322.413 -0.136 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)c2cn(CC)nn2)[C@H](O)C1 1100053187 LKMMTGDFILZQOR-TZMCWYRMSA-N 323.397 -0.334 30 20 DBED C=CCCOCC(=O)N[C@@H]1CCN(Cc2nncn2C)C[C@@H]1O 1100136172 IPUXTYOSGDYYIE-OLZOCXBDSA-N 323.397 -0.541 30 20 DBED C#CCNC(=O)CC(=O)NCC1CC(NCC(=O)N(C)CC)C1 1100261594 FZINWDJVPCNIFQ-UHFFFAOYSA-N 322.409 -0.911 30 20 DBED CN(CCNC(=O)[C@@H]1CCC(=O)N1C)c1ccc(C#N)nn1 1100264344 JOMFYSGDLHNVJS-NSHDSACASA-N 302.338 -0.479 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)CCCCN(C)C)C1 1100890433 ZWUQZHHEUAMMNB-UHFFFAOYSA-N 322.453 -0.048 30 20 DBED N#CCNC1CC(CNC(=O)CCNC(=O)c2cnccn2)C1 1101002496 BPJSKGPDYUVEBF-UHFFFAOYSA-N 316.365 -0.396 30 20 DBED CN(CCNc1cncc(C#N)n1)C(=O)c1c[nH]c(C(N)=O)c1 1101621368 PJMDGJZMYJXPBW-UHFFFAOYSA-N 313.321 -0.041 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CC2(CN(CCO)C2)n2ccnc21 1101628767 BUMWNEWHVPFESU-CYBMUJFWSA-N 300.362 -0.139 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)C[C@H]1CCC(=O)N1 1101678343 PICSDJMWSQZJDX-SNVBAGLBSA-N 302.338 -0.691 30 20 DBED CN1C[C@@H](C(=O)N(C)CCNc2ccc(C#N)nc2)NC1=O 1101903272 XHSBCRIKLDDLNQ-LBPRGKRZSA-N 302.338 -0.153 30 20 DBED N#Cc1cnccc1N1CC[C@@H](CCNC(=O)CNC(N)=O)C1 1102282945 KFHYNVVEVCSEGS-LLVKDONJSA-N 316.365 -0.046 30 20 DBED CC[C@@H](CNC(=O)c1cnn(C)c1N)N=c1cc[nH]c(C#N)n1 1103066673 BTZCILGAHPORIE-VIFPVBQESA-N 314.353 -0.294 30 20 DBED CCn1cnc(C(=O)N2CC(n3cc(CNCC#N)nn3)C2)c1 1105361178 SHYJVTWUTKATSV-UHFFFAOYSA-N 314.353 -0.195 30 20 DBED CCCC(=O)NCC(=O)NC[C@H](O)CNc1cnc(C#N)cn1 1105727411 NAIWQUMSRMQWPQ-LLVKDONJSA-N 320.353 -0.846 30 20 DBED C[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1CNCCNS(C)(=O)=O 1105952099 QHKPACHYZHNBNK-IJLUTSLNSA-N 316.427 -0.621 30 20 DBED COCCCOCC(=O)NC[C@H](O)CNc1ccc(C#N)cn1 1105959703 QCVHUTRFSMGTKU-CYBMUJFWSA-N 322.365 -0.105 30 20 DBED C[C@@H](CC(F)F)C(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1 1106024087 LFDWPAPIDCPDLJ-DTWKUNHWSA-N 313.308 -0.050 30 20 DBED C[C@H](CCNc1ccc(C#N)nn1)NC(=O)[C@H]1CN(C)C(=O)N1 1106518555 CVLMGPCLZXFSEU-MWLCHTKSSA-N 317.353 -0.321 30 20 DBED CN1C[C@H](C(=O)NC/C=C\CNc2cncc(C#N)n2)NC1=O 1107451888 RPNNKILDOANQPZ-OTDNITJGSA-N 315.337 -0.544 30 20 DBED CN1C[C@@H](C(=O)NC/C=C\CNc2cncc(C#N)n2)CC1=O 1107568889 QZJRGYAAJMFFQN-QUCGXOGASA-N 314.349 -0.089 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](C)NC(=O)[C@H]2COCCN2C)n1 1107693896 BMZPFONUJSDFBZ-DGCLKSJQSA-N 318.381 -0.096 30 20 DBED C[C@H](C#N)C(=O)NC[C@]1(C)CN(CCN2CCNC2=O)CCO1 1107820796 DBAGBGZXPDMHLY-IUODEOHRSA-N 323.397 -0.622 30 20 DBED C[C@H](CNc1cnc(C#N)cn1)NC(=O)[C@@H]1CN(C)C(=O)N1 1108041570 WPYOQGXZCFNXLR-SCZZXKLOSA-N 303.326 -0.712 30 20 DBED CC#CCN1CCO[C@](C)(CNC(=O)[C@]2(C)CCC(=O)N2)C1 1108193861 NUUJUUPTJIUOFB-CVEARBPZSA-N 307.394 -0.115 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)[C@H](C)OCC=C)CC2=O)C1 1108594772 ZPGIMAFBHCQGCD-STQMWFEESA-N 305.378 -0.388 30 20 DBED C[C@H](CN(C)c1ccnc(C#N)n1)NC(=O)CC(=O)N(C)C 1109263206 CQKHPAPZYLUEOC-SNVBAGLBSA-N 304.354 -0.233 30 20 DBED N#Cc1ccc(NC2(CNC(=O)CC(N)=O)CCOCC2)cn1 1110979602 SUHBPYJIGWVHDN-UHFFFAOYSA-N 317.349 -0.094 30 20 DBED N#Cc1nc(=NCCN(CCO)C(=O)C[C@H]2CCOC2)cc[nH]1 1111443095 XKHIJPDUGUJTCA-GFCCVEGCSA-N 319.365 -0.570 30 20 DBED C[C@@H]1CN(C(=O)CNC(N)=O)C[C@@H]1Nc1ccc(C#N)nc1 1112306436 GGTPZHSMDTYWHG-SKDRFNHKSA-N 302.338 -0.120 30 20 DBED C#CCO[C@H](C)C(=O)NC1(CO)CCN(c2ncccn2)CC1 1112668712 YDSUWRGQJSVUTN-CYBMUJFWSA-N 318.377 -0.038 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)c2ocnc2C)CC1 1112749474 AISSRXRGUPFUMQ-GFCCVEGCSA-N 304.350 -0.121 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)c2cc(=O)n(C)o2)CC1 1112798200 SPEJWSKYLWBWAM-UHFFFAOYSA-N 308.338 -0.962 30 20 DBED C[C@H](N=c1cc[nH]c(C#N)n1)[C@@H](C)NC(=O)CCn1cncn1 1112955860 WBAJJTXURKUOFM-WDEREUQCSA-N 314.353 -0.243 30 20 DBED C[C@H](Nc1nccnc1C#N)[C@@H](C)NC(=O)Cn1cnnc1O 1112978500 MUSGTBGANKISDW-BDAKNGLRSA-N 316.325 -0.349 30 20 DBED CC[C@H](C)[C@H](OC)C(=O)N1CCN(CC(=O)NCC#N)CC1 1113044128 LNLPKQVWNXWBCK-JSGCOSHPSA-N 310.398 -0.169 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)[C@H]2CCC(=O)NC2)CC1 1113057086 BSSXFHGFVSNIBL-OLZOCXBDSA-N 322.409 -0.653 30 20 DBED C[C@H](N=c1cc[nH]cc1C#N)[C@H](C)NC(=O)c1nnn(C)n1 1113258210 BNRYSTQANRDHOK-IUCAKERBSA-N 300.326 -0.482 30 20 DBED CCNC(=O)CCCC(=O)N1CCN(CC(=O)NCC#N)CC1 1113554452 BBGMMQVOEPNSLJ-UHFFFAOYSA-N 323.397 -0.923 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@@H]2CN(Cc3cncn3C)C[C@@H]12 1114158246 SJJDCYBADLVTKY-CHWSQXEVSA-N 315.377 -0.894 30 20 DBED COCC#CCN1C[C@@H]2C(NC(=O)c3cc(OC)n(C)n3)[C@H]2C1 1114543444 WGJWGYRSRMKONY-RYUDHWBXSA-N 318.377 -0.262 30 20 DBED C[C@@H]1CCO[C@@H]1C(=O)NC1[C@H]2CN(CC(=O)NCC#N)C[C@H]12 1114856139 HGLVURGCKLQQAB-ZHPDPMBESA-N 306.366 -0.902 30 20 DBED C=CCCN1C[C@H]2C(NC(=O)[C@H](CCC(N)=O)NC(C)=O)[C@@H]2C1 1114978323 SGXVABPBEVEMDA-UPJWGTAASA-N 322.409 -0.621 30 20 DBED CC(=O)NCC(=O)NCCOCCN(C)c1ncccc1C#N 1115160862 JYZKYTJQCRJFGS-UHFFFAOYSA-N 319.365 -0.342 30 20 DBED CC(C)[C@@H](CCNC(=O)CNC(N)=O)Nc1cncc(C#N)n1 1115277406 ZTYSLLWQQXUAEY-LLVKDONJSA-N 319.369 -0.041 30 20 DBED C[C@@](C#N)(NC(=O)CN1C(=O)N[C@]2(CCOC2)C1=O)C1CC1 1116379206 VKORFWTXLNFOSH-KBPBESRZSA-N 306.322 -0.494 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)CCO1 1117021323 MLCVGMOIOZIHDT-LBPRGKRZSA-N 318.289 -0.038 30 20 DBED C[C@@H](CN(C)C(=O)C1(C(N)=O)CC1)N=c1cc[nH]cc1C#N 1120554593 JFBFIEOBGJBEEV-JTQLQIEISA-N 301.350 -0.101 30 20 DBED Cc1cc(=N[C@@H](CO)CNC(=O)[C@H]2CCCN2C)c(C#N)c[nH]1 1121243587 VPESPBGKUPWPAG-UKRRQHHQSA-N 317.393 -0.333 30 20 DBED C#CCCCC(=O)NC[C@H](CO)Nc1ccc2nnnn2n1 1121372658 YNEIOCHFSAPATR-SNVBAGLBSA-N 303.326 -0.788 30 20 DBED C=CCn1c(C(N)=O)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1121509249 GCGIQJVUXJIKHQ-QMTHXVAHSA-N 307.354 -0.053 30 20 DBED CCN(CC)CC(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1 1121658902 MISHLXJXYVACQT-LLVKDONJSA-N 306.370 -0.999 30 20 DBED N#Cc1nccnc1N[C@@H](CO)CNC(=O)COCC(F)F 1122256160 SCZJNZYDGGFOHX-MRVPVSSYSA-N 315.280 -0.481 30 20 DBED C[C@H]1CCCN1CC(=O)NC[C@H](CO)Nc1cncc(C#N)n1 1122525608 CSOCZEBPHANMAM-WCQYABFASA-N 318.381 -0.278 30 20 DBED C[C@H]1CCN(CC(=O)NC[C@H](CO)Nc2ccc(C#N)nn2)C1 1122526817 MICITTSAVOKPKR-WCQYABFASA-N 318.381 -0.421 30 20 DBED CN(C[C@H](O)CNc1ccc(C#N)nn1)C(=O)c1cncnc1 1124329619 NHCDTPMXYYZTRM-GFCCVEGCSA-N 313.321 -0.317 30 20 DBED CN(C[C@H](O)CN(C)c1cnc(C#N)cn1)C(=O)[C@@H]1CCCO1 1124940038 NCKMMBVZTRJAOI-OLZOCXBDSA-N 319.365 -0.217 30 20 DBED CC(C)(C)[C@@H](CNc1cnc(C#N)cn1)NC(=O)CNC(N)=O 1125763056 LCKQYLAJAMBMHG-SNVBAGLBSA-N 319.369 -0.041 30 20 DBED CC(C)(C)[C@@H](CNc1ccc(C#N)nn1)NC(=O)CNC(N)=O 1125763134 MPKHFDIXGXMLNJ-SNVBAGLBSA-N 319.369 -0.041 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCNCC(=O)NCc1cccnc1 1126359803 CMRGTNXYKSIXAY-MRXNPFEDSA-N 320.393 -0.269 30 20 DBED C#CCCN1CCn2ncc(CNC(=O)[C@H](COC)OC)c2C1 1128475660 FGEGAWZUCVMTSO-HNNXBMFYSA-N 320.393 0.000 30 20 DBED CC#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)CNC(=O)CC)C1 1128838615 KSPABOCZLZRYEO-OLZOCXBDSA-N 318.381 -0.831 30 20 DBED C=CCN[C@@H]1CN(C(=O)CNC(=O)CCC)C[C@@H]1n1ccnn1 1129645953 HZVVTDYKYNOHGE-OLZOCXBDSA-N 320.397 -0.278 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCNCc1noc(CC)n1 1129775399 MPXILLBVEVTJDD-LBPRGKRZSA-N 305.382 -0.065 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1n[nH]c2c1CCCC2 1130741366 XSZLURKPQPYBGN-UHFFFAOYSA-N 305.382 -0.090 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(C)=O)C[C@H]1c1cncn1C 1130885013 WCOZDRHBOFXITQ-CHWSQXEVSA-N 303.366 -0.927 30 20 DBED C#CCN[C@@H]1CN(C(=O)CN(C)C(C)=O)C[C@H]1c1cncn1C 1130916216 XOUMGMWAOSSVFE-ZIAGYGMSSA-N 317.393 -0.584 30 20 DBED CCOCC(=O)N1CC[C@@H](N2C(=O)O[C@H]3CN(CC#N)C[C@H]32)C1 1131297943 PJWUCAADNOXPJT-UPJWGTAASA-N 322.365 -0.348 30 20 DBED COCC#CCNCCNC(=O)CCc1c(C)nc(O)nc1O 1132055915 NQHKGOGABCNSQK-UHFFFAOYSA-N 322.365 -0.516 30 20 DBED C=CCOCCNCCNC(=O)c1c(C)c(C)nn(C)c1=O 1132174375 FPCMGCFJMAYSSU-UHFFFAOYSA-N 308.382 -0.081 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CCCc2nn[nH]c21 1132997717 KVNAAJFMMYLNFN-MNOVXSKESA-N 318.381 -0.932 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1ocnc1C(F)F 1133925895 VWVSSDYSVKXUAH-UHFFFAOYSA-N 301.253 -0.429 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)c1cn(CC=C)nn1 1134973620 ZSKXCNMGQKQKIV-NSHDSACASA-N 306.370 -0.526 30 20 DBED C=CCCN[C@@H](C)C[C@H](C)NC(=O)c1cn(CC(N)=O)nn1 1146584174 QYFDEZJPDPVNJA-QWRGUYRKSA-N 308.386 -0.174 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC2(CCN(CC(=O)NCC#N)C2)C1 1147530680 PJYWQOYTKAGVIU-ZDUSSCGKSA-N 318.377 -0.801 30 20 DBED C=CCOCCN1CCCO[C@H](CNC(=O)CC(=O)NC)C1 1149599966 NNRZBJUJHMUGQW-CYBMUJFWSA-N 313.398 -0.468 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN([C@@H]2CCNC2=O)CCCO1 1149638862 JKGDORAMRISPQF-ZIAGYGMSSA-N 307.394 -0.115 30 20 DBED C#CCCN1CCCO[C@@H](CNC(=O)[C@]2(C)CCNC2=O)C1 1150317052 GTZCYGTWMQMUNF-XJKSGUPXSA-N 307.394 -0.257 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)C1(COC)CC1 1154296050 OXJVXPNYFWQWOO-CYBMUJFWSA-N 309.410 -0.011 30 20 DBED C=CCCC(=O)NCCCNC[C@@H](O)CN1C(=O)CCC1=O 1155593214 CBQOJGBGYYSUFH-GFCCVEGCSA-N 311.382 -0.442 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)COCCOC)C1=O 1155867234 FRMDWPFZLOAXDS-CYBMUJFWSA-N 313.398 -0.468 30 20 DBED C#CCNC(=O)CC(=O)NCCCNCCO[C@@H]1CC1(F)F 1156847970 MXAZTIOSCUNHBE-LLVKDONJSA-N 317.336 -0.354 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)CC(=O)NCC)C1=O 1156862673 NLNRMHOYGDFNHR-LBPRGKRZSA-N 310.398 -0.605 30 20 DBED CC#CCN1CC=C(CCNC(=O)Cn2c(O)nnc2O)CC1 1161779782 SPJYMCPPDGDJDV-UHFFFAOYSA-N 319.365 -0.149 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@@H]1C[C@H]1c1ccnn1C 1163020940 VNMAQXCQLINZJP-CHWSQXEVSA-N 317.393 -0.631 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)[C@@H](CC)NC(C)=O)C1=O 1167186354 VJXWNJCOPPWTAR-ZIAGYGMSSA-N 324.425 -0.216 30 20 DBED C#CCNCC1(CCNC(=O)CS(=O)(=O)N(C)C)CC1 1167922874 PKFHHTQBOSQPDM-UHFFFAOYSA-N 301.412 -0.613 30 20 DBED CC[C@H](C(=O)N1CC[C@H](NCC(=O)NCC#N)[C@@H]1C)N(C)C 1178990171 LMKFSWNPNUKNSR-RWMBFGLXSA-N 309.414 -0.455 30 20 DBED N#CCNC(=O)CNCCCCCCNC(=O)[C@H]1CCNC1=O 1179230373 LLBPEEKOOODQRL-GFCCVEGCSA-N 323.397 -0.972 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2cncn2C)C1 1184000286 KQXCPMIMPIDFEP-VXGBXAGGSA-N 305.382 -0.085 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)C[C@](C)(O)C2CC2)C1 1189696518 ZNAAJJAWYIGFEB-PBHICJAKSA-N 321.421 -0.180 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2cnnn2C)C1 1189944031 JYOGSGZLASNGIG-LLVKDONJSA-N 306.370 -0.736 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2ccnn2C)C[C@H]1O 1192892477 YIKXEPHHBRCMEX-MRVWCRGKSA-N 306.366 -0.880 30 20 DBED CC(C)C[C@@]1(C(=O)N[C@@H]2CN(CC#N)C[C@H]2O)CCNC1=O 1193912305 VLCUWIZVUNRRSL-JMSVASOKSA-N 308.382 -0.776 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCCN(C(=O)[C@H](C)NC(C)=O)CC1 1194738717 BNUZQCWWYXKBBK-QWHCGFSZSA-N 322.409 -0.817 30 20 DBED C#CCCCCCC(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1O 1195333537 JYFPHJBBXRIHAQ-ZIAGYGMSSA-N 320.393 -0.629 30 20 DBED COCC#CCN1CCCN(C(=O)C[C@H](C)NC(N)=O)CC1 1195853520 KQRHAKMEBKVBSD-ZDUSSCGKSA-N 310.398 -0.383 30 20 DBED C=C(C)CN1CCCN(C(=O)CN(C)S(C)(=O)=O)CC1 1196040031 BCTILBCMHIOMIH-UHFFFAOYSA-N 303.428 -0.012 30 20 DBED N#CCNC[C@@H]1CN(C(=O)C[C@H]2CCCC(=O)N2)CCCO1 1200931180 RENZOTCMAUJUJF-CHWSQXEVSA-N 308.382 -0.224 30 20 DBED Cn1ccc(=O)c(C(=O)N2CCCO[C@H](CNCC#N)C2)c1 1200943749 BJQVCJXICQQXME-GFCCVEGCSA-N 304.350 -0.270 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)CCCO1 1201270093 XWGYHFQZJLZOTE-GFCCVEGCSA-N 304.350 -0.386 30 20 DBED C=CCNC[C@@H]1CN(C(=O)CN2CCC(=O)NC2=O)CCCO1 1201793018 ALKVWLPEQLCRTN-GFCCVEGCSA-N 324.381 -0.679 30 20 DBED CS(=O)(=O)NCCC(=O)N1C[C@H]2CC[C@H]1[C@H](NCC#N)C2 1204408991 SDDBYJBDAUUOGK-TUAOUCFPSA-N 314.411 -0.582 30 20 DBED C#CCOCCC(=O)N1CCC(CNCC(=O)NC(N)=O)CC1 1205259339 WELRTUJTOOIOAO-UHFFFAOYSA-N 324.381 -0.951 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)CNC(=O)CC)C1 1207684004 JGYUTEPKGFVCGW-LBPRGKRZSA-N 310.398 -0.605 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)C(C)(C)NC(C)=O)C1 1210176871 ZSOPAZNIIYCKIF-ZDUSSCGKSA-N 322.409 -0.769 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(CC(=O)NCC#C)C[C@H]1OC 1212187419 SDCOWXJKHZBKQL-ZIAGYGMSSA-N 305.378 -0.645 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)C2CCCC2)C1 1219089412 FCVAAGULMIGUJP-BNOWGMLFSA-N 307.394 -0.524 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2nccn2C)C[C@@H]1O 1219613824 TVLTZMDPINHTHC-OLZOCXBDSA-N 306.366 -0.879 30 20 DBED C=CCCCN1C[C@H](O)[C@H](NC(=O)[C@H]2CC(=O)N(CC)C2)C1 1219731929 KKNDLYWGAFHZHS-MJBXVCDLSA-N 309.410 -0.018 30 20 DBED CCc1nc(C(=O)N[C@@H]2CN(CC#CCOC)C[C@@H]2O)c(C)o1 1220524468 UDSXVRJLHSMVMA-OLZOCXBDSA-N 321.377 -0.030 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(Cc2csnn2)C[C@@H]1O 1221140021 ZOHBEVFKXUMQDA-NEPJUHHUSA-N 312.395 -0.208 30 20 DBED CO[C@@H](C)CC(=O)N1C[C@H]2CCN(CC(=O)NCC#N)C[C@H]21 1221430371 BNPWXYPBPJKJII-YNEHKIRRSA-N 308.382 -0.416 30 20 DBED COCC#CCN1CCC(CNC(=O)C2CN(C(C)=O)C2)CC1 1222963271 FDWIAKRZLFCAET-UHFFFAOYSA-N 321.421 -0.057 30 20 DBED C=C(C)CN1CCC(CNC(=O)CS(=O)(=O)NC)CC1 1225465414 SXUQHLXEWHFUNY-UHFFFAOYSA-N 303.428 -0.060 30 20 DBED N#CCNC(=O)CN1CCC(NC(=O)[C@H]2C[C@H]3CC[C@H]2O3)CC1 1226681156 GVWDEMKOWRBCNZ-HZSPNIEDSA-N 320.393 -0.226 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)CCCNC(=O)c1cnccn1 1231372533 WQCAUHIDCDGCNT-GFCCVEGCSA-N 303.366 -0.334 30 20 DBED C#C[C@H](C)NC(=O)C(=O)Nc1cnn(CC(=O)NC2CC2)c1 1255508110 RGDOZGSOVZTFIL-VIFPVBQESA-N 303.322 -0.762 30 20 DBED CC[C@@]1(c2cnn(C)c2)NC(=O)N(CC(=O)NCC#N)C1=O 1319719849 YZFUFFYQWBKIHY-ZDUSSCGKSA-N 304.310 -0.783 30 20 DBED N#CCn1cc(NC(=O)C(=O)N2CCC[C@]23CCOC3=O)cn1 1320923259 LLKAFFMHZUOKFK-CQSZACIVSA-N 317.305 -0.347 30 20 DBED C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C)CC1 1321259486 KQNJBBJIJQXYFP-LBPRGKRZSA-N 323.422 -0.528 30 20 DBED C=C(C)COCCNC(=O)C(=O)NC1CCN(C(C)=O)CC1 1321601342 YIRUKBLEKALZRV-UHFFFAOYSA-N 311.382 -0.178 30 20 DBED CS(=O)(=O)NCc1ccc(NC(=O)C(=O)NCCC#N)cc1 1322241964 PTIQITVEJNCSIF-UHFFFAOYSA-N 324.362 -0.296 30 20 DBED C[C@@H](CNC(=O)C(=O)NCc1ccc(C#N)cc1)S(C)(=O)=O 1322950788 ODTZMTCFHVUDLR-JTQLQIEISA-N 323.374 -0.276 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N1C[C@@H](C)[C@@](C)(CO)C1 1327473427 NXOUWIMXAYODEV-CZUORRHYSA-N 310.394 -0.038 30 20 DBED C#CC[C@H](CO)NC(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1 1328705839 XGEMLCVVDNGPHN-LLVKDONJSA-N 324.358 -0.940 30 20 DBED C=CCOCCn1nnnc1N1CC[C@@H](S(C)(=O)=O)C1 1334239514 TZPLJVZHVQLLNC-SNVBAGLBSA-N 301.372 -0.501 30 20 DBED C#CCN(C(=O)C(=O)N1CCN(CC(=O)NCC)CC1)C(C)C 1338209125 SMMCRCURAMKVBO-UHFFFAOYSA-N 322.409 -0.863 30 20 DBED C=CCS(=O)(=O)CCNC(=O)c1ccc2nnc(O)n2c1 1342297316 BHJVAWDLJMBILH-UHFFFAOYSA-N 310.335 -0.235 30 20 DBED C#CCNC(=O)C1CCN(C(=O)[C@@H]2CN3CCN2C[C@@H]3C)CC1 1346830386 BUFXONSCTRIHCU-ZFWWWQNUSA-N 318.421 -0.637 30 20 DBED CN(CC(=O)N1CCCC1)C(=O)C(=O)N1CCC(C#N)CC1 1346915329 QVFHVETXPJMUEJ-UHFFFAOYSA-N 306.366 -0.171 30 20 DBED C=CCOCCNC(=O)C(=O)N1CCN(CCOCC)CC1 1350022474 FXKMAOPFZFEBNV-UHFFFAOYSA-N 313.398 -0.514 30 20 DBED C=CCS(=O)(=O)CCN1C(=O)N[C@@H]([C@@H]2CCCOC2)C1=O 1350943769 IIUZEOUHDXZWAA-MNOVXSKESA-N 316.379 -0.066 30 20 DBED CN(C)c1ncc(CNC(=O)C(=O)N2CCC[C@H](C#N)C2)n1C 1354452282 DBOZZILXFCLRAK-LLVKDONJSA-N 318.381 -0.136 30 20 DBED Cn1ncc2c(O)nc(CCC(=O)N3CC(O)(CC#N)C3)nc21 1362507239 UJSGNXDOOSFXHS-UHFFFAOYSA-N 316.321 -0.512 30 20 DBED N#Cc1ncn(CC(=O)N2CCS(=O)(=O)C[C@@H]2C2CCC2)n1 1362789575 QHTFJGLGXUNNOQ-LLVKDONJSA-N 323.378 -0.425 30 20 DBED CC(C)(CO)CCNC(=O)CCn1cc(C#N)c(O)nc1=O 1363346873 YLGIYHUYFCCNOB-UHFFFAOYSA-N 308.338 -0.265 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)N[C@H]2C[C@H](O)[C@H](O)C2)cc1 1363589943 MCXGYAQLNPRSPK-XYYAHUGASA-N 303.318 -0.712 30 20 DBED CCN(CCC#N)C(=O)CN1CC(NC(=O)[C@@H](OC)C2CC2)C1 1377892021 QFVISTKCOLAJIT-HNNXBMFYSA-N 322.409 -0.026 30 20 DBED CC(=O)NCC(=O)NC[C@H]1CCCN1C(=O)c1ccc(C#N)[nH]1 1388339832 KJQQUGZKJZOLIA-GFCCVEGCSA-N 317.349 -0.257 30 20 DBED C[C@H](C#N)C(=O)N1CCC(N(CCO)CC(=O)NC2CC2)CC1 1388844983 DHZBJLWSZPMDIG-GFCCVEGCSA-N 322.409 -0.290 30 20 DBED C=C(Cl)CNC[C@H](C)N(C)C(=O)CNC(=O)CNC(C)=O 1392081365 WMMADNOYMVBWDC-JTQLQIEISA-N 318.805 -0.572 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](C)CN(C)C(=O)CN1CCC(=O)NC1=O 1405173415 QWQAUROSPUOAEU-VHSXEESVSA-N 323.353 -0.949 30 20 DBED N#CC1(c2ccccn2)CCN(C(=O)[C@H](CO)NC(N)=O)CC1 1412888586 VXVXSLBVMYURLZ-NSHDSACASA-N 317.349 -0.505 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CCCN2C(N)=O)C1 1414971532 KZNXBNIWXRBRFY-DBIOUOCHSA-N 307.354 -0.547 30 20 DBED CN(C)C(=O)CN1CC[C@@](O)(CNC(=O)c2cc(C#N)c[nH]2)C1 1421359917 RGMJSXJVOUJCHZ-OAHLLOKOSA-N 319.365 -0.859 30 20 DBED C[C@H](C#N)C(=O)N(C)C[C@@H]1CCCN1C(=O)CCn1cnnn1 1423742766 VWGSXGMUGCBDQY-NEPJUHHUSA-N 319.369 -0.328 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C)C(=O)CCCS(C)(=O)=O 1431476763 AXKPPWNBTNKBEE-JTQLQIEISA-N 303.384 -0.455 30 20 DBED C[C@@H](CNC(=O)[C@H](C)C#N)NC(=O)COCc1ccnn1C 1431839132 KCWNHYMITYMZCO-MNOVXSKESA-N 307.354 -0.283 30 20 DBED COC(=O)C1(C#N)CCN(C(=O)[C@@H](NC(N)=O)C(C)C)CC1 1433983766 FKWANFCMAVQCPZ-JTQLQIEISA-N 310.354 -0.015 30 20 DBED CCNC(=O)NC(=O)[C@@H](C)N[C@H]1C[C@H](NC(=O)[C@H](C)C#N)C1 1436892261 ZADGPLQTGYTEDH-GWOFURMSSA-N 309.370 -0.383 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CCN(C(=O)CCc2cnn[nH]2)C1 1446688771 RHHAYFPEGAVELY-JQWIXIFHSA-N 304.354 -0.044 30 20 DBED N#Cc1cc(C(=O)NC[C@H](O)CNC(=O)c2ccccn2)c[nH]1 1452234765 QDULCLOEUKLENN-LBPRGKRZSA-N 313.317 -0.198 30 20 DBED C[C@@H](CNC(=O)c1cnn(CCN(C)C)c1)NC(=O)[C@H](C)C#N 1452968585 YBSHQWRMGFGWGQ-NEPJUHHUSA-N 320.397 -0.161 30 20 DBED C[C@H](O)C[C@@H]1CCCCN1C(=O)Cn1cc(C#N)c(O)nc1=O 1467730069 JGIYQQZDMMOMIS-JQWIXIFHSA-N 320.349 -0.027 30 20 DBED CCC(=O)NCC(=O)NC[C@@H](C)N(C)C(=O)c1c[nH]c(C#N)c1 1486826855 RUXZTAGWDZSBAO-SNVBAGLBSA-N 319.365 -0.011 30 20 DBED COCC(=O)N(C)CC(=O)N1CCC(NC(=O)[C@@H](C)C#N)CC1 1492098156 XQBYNPXTFMPZSG-NSHDSACASA-N 324.381 -0.642 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](CO)Nc1ncccc1-c1nn[nH]n1 1573577225 NSVWZBQCHNPVHF-DTWKUNHWSA-N 316.325 -0.690 30 20 DBED CC[C@H](C)C[C@H](NS(=O)(=O)N1CCO[C@H](C#N)C1)C(=O)O 1573676494 ABGCJPXRICVCKE-AXFHLTTASA-N 319.383 -0.065 30 20 DBED N#Cc1ccccc1S(=O)(=O)N[C@@H]1CC(=O)N(C2CNC2)C1 1580080616 YTTBSIKIPIYIIZ-LLVKDONJSA-N 320.374 -0.591 30 20 DBED C#CC[C@@H](CO)NC(=O)c1nc(O)c(-c2nn[nH]n2)cc1C 1588331510 PLHDAOFQDIBAFD-QMMMGPOBSA-N 302.294 -0.610 30 20 DBED C=CCOC[C@H](NS(=O)(=O)C[C@@H](C)C(=O)OC)C(=O)O 1588867268 YRLWOISBQIVNRL-BDAKNGLRSA-N 309.340 -0.629 30 20 DBED C[C@H](CN(C)C(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1)C(=O)O 1589021174 YGEHGIJPCFMHOU-ZYHUDNBSSA-N 322.365 -0.636 30 20 DBED CC(C)(C)CNC(=O)Cn1c(N)nc(C#N)c1-c1nn[nH]n1 1589129353 PFIOHCMKTHWWDH-UHFFFAOYSA-N 303.330 -0.321 30 20 DBED Cn1cc(C#N)cc1C(=O)N1CC(n2cc(C(=O)O)nn2)C1 1600927433 KEVPPMQFPPJMRM-UHFFFAOYSA-N 300.278 -0.116 30 20 DBED CN(CCN(C)c1cnc(C#N)cn1)C(=O)[C@H]1C[C@H]1C(=O)O 1606127077 UAGSFKLYEQAVFP-WDEREUQCSA-N 303.322 -0.036 30 20 DBED N#CCCN1CCN(c2nnc(CO)n2C[C@@H]2CCOC2)CC1 1650486793 IATMOSHDFNTNJU-ZDUSSCGKSA-N 320.397 -0.157 30 20 DBED C=CCNC(=O)CNC[C@H]1CCCN1C(=O)C[C@@H]1CCC(=O)N1 1698732634 DDSSQRICJQSYMG-QWHCGFSZSA-N 322.409 -0.462 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)CS(=O)(=O)CCOC)C1 1713084554 NSFXAYNXSVHMKQ-LBPRGKRZSA-N 304.412 -0.186 30 20 DBED CC#CCN1CCN(CCCNC(=O)c2cnnn2C)CC1 1752342993 HRSGYOBIBHJOCE-UHFFFAOYSA-N 304.398 -0.424 30 20 DBED COc1nccc(C(=O)NCCCN2CCN(CC#N)CC2)n1 1752349695 QNATWHXFNRXDHU-UHFFFAOYSA-N 318.381 -0.254 30 20 DBED Cc1ccn(C[C@@H](C)C(=O)N(C)CCNCC(=O)NCC#N)n1 1753195540 XYWYLEKCZDDGRP-GFCCVEGCSA-N 320.397 -0.485 30 20 DBED C#CCCN1CC[C@@H](CCNC(=O)CN(C)C(=O)COC)C1 1753332341 MBXOSYPEQXGVKM-CQSZACIVSA-N 309.410 -0.057 30 20 DBED C#CCNC[C@@H](O)CNC(=O)c1cc(C(F)(F)F)nn1C 1753918765 CBXWWHZVCSFWHN-MRVPVSSYSA-N 304.272 -0.248 30 20 DBED CCN(CCNCC(=O)NCC#N)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 1754057559 YDGRZSMWCPCKJB-KCQAQPDRSA-N 322.409 -0.121 30 20 DBED C[C@H](CNCC(=O)NCC#N)NC(=O)c1cccc2ncnn12 1754233442 LYDQAGYTRUGLBJ-SNVBAGLBSA-N 315.337 -0.923 30 20 DBED C=CCOCC(=O)NC[C@]1(O)CCN([C@@H](C)c2nncn2C)C1 1754745563 CKIPSSUIFHXRJD-SWLSCSKDSA-N 323.397 -0.368 30 20 DBED COCC#CCNC[C@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@@H]1C 1754816913 IJXVMFILIJKYBP-STQMWFEESA-N 309.410 -0.168 30 20 DBED C=CCNC(=O)CNC[C@H]1CN(C(=O)c2cnn[nH]2)C[C@@H]1C 1754820184 WITUVPCGTBRIAH-QWRGUYRKSA-N 306.370 -0.595 30 20 DBED Cc1c(CC(=O)N[C@@]2(CO)CCCN(CC#N)C2)cnn1C 1754857104 ZNNRTLCXXAFQHR-HNNXBMFYSA-N 305.382 -0.262 30 20 DBED C[C@@H](NS(C)(=O)=O)C(=O)N1CC[C@H](CCNCC#N)C1 1754933019 LFHUPBHMVCFSLI-MNOVXSKESA-N 302.400 -0.724 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)Cn1ccc(C)cc1=O 1754972209 HAAAHSSQZZFDOM-AWEZNQCLSA-N 303.362 -0.393 30 20 DBED C=CCCCN1CC(N2CCN(C(=O)[C@H](C)NC(N)=O)CC2)C1 1755144807 RCSDSGMBHGCTQW-ZDUSSCGKSA-N 323.441 -0.162 30 20 DBED CC#CCNCC1CC(NC(=O)Cn2ccc(=O)n(C)c2=O)C1 1755212092 DQHKQWSPCFPTAI-UHFFFAOYSA-N 318.377 -0.945 30 20 DBED C=CCNC(=O)CN(C)[C@H](C)CNC(=O)[C@@H]1CCCC(=O)N1C 1755324860 RKTVRECJVOYRJL-OLZOCXBDSA-N 324.425 -0.264 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(CNC(=O)c3cccnn3)[C@H]2C1 1755429088 APHSDXQVYPVFPW-CHWSQXEVSA-N 315.377 -0.314 30 20 DBED COCC#CCN[C@H](C)[C@H]1CN(C(=O)c2ncn(C)n2)CCO1 1755441550 HJCCFXQIIAQZQO-CHWSQXEVSA-N 321.381 -0.716 30 20 DBED C#CCNC(=O)CNC[C@H]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 1755468317 PZEFNDCVKKBDSX-AULYBMBSSA-N 313.361 -0.266 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@H](CO)NCc1cnns1 1755630247 FINGMLJMBZCJJG-AAEUAGOBSA-N 323.422 -0.798 30 20 DBED Cn1nc(Cl)c(C(=O)NC[C@@H](CO)NCC#N)c1Cl 1755641299 AJVGKCGPVMIPPR-LURJTMIESA-N 306.153 -0.069 30 20 DBED C=CCOCC(=O)N1CCC[C@H]1CN(C)C(=O)Cn1ncnn1 1755911186 ZOUYMAGJFNLUKQ-LBPRGKRZSA-N 322.369 -0.675 30 20 DBED C[C@H](C#N)C(=O)NCCOCCCNC(=O)C1=COCCO1 1756400468 SBLMBAJMZXIUIP-LLVKDONJSA-N 311.338 -0.327 30 20 DBED C#CCOCCC(=O)NC[C@@H](CO)NC(=O)c1c[nH]c(C#N)c1 1756520888 GLIANAXECHUZPH-ZDUSSCGKSA-N 318.333 -0.867 30 20 DBED C=C1CCC(C(=O)N[C@@H](CO)CNC(=O)Cn2cncn2)CC1 1756549770 GBOCYVCNOSOOAH-CYBMUJFWSA-N 321.381 -0.382 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)C[C@@H](O)CNC(=O)CC1CC1 1756669705 RFOVBVCHAZENBJ-GJZGRUSLSA-N 321.421 -0.180 30 20 DBED C#CCOCCC(=O)NC[C@H]1CN(C(=O)CC(N)=O)CC[C@@H]1C 1756806374 YGOCKYBNUSPJDQ-STQMWFEESA-N 323.393 -0.498 30 20 DBED C=CCCCC(=O)N[C@@H]1CN(C(=O)[C@H]2CCNC(=O)C2)C[C@@H]1O 1757205401 WQVBRARVHYIWDZ-XQQFMLRXSA-N 323.393 -0.443 30 20 DBED CC(C)(CC#N)CS(=O)(=O)N1CCN(C(=O)C(=O)O)CC1 1776290922 UFWMFNXPKFUDLK-UHFFFAOYSA-N 317.367 -0.515 30 20 DBED C#CCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(O)O)[C@H]2C1 1783873728 YVYCOYVRUVZHTB-AVGNSLFASA-N 324.377 -0.920 30 20 DBED C=CCN(CC=C)CC(=O)c1c(N)n(CCOC)c(=O)[nH]c1=O 114723723 LAUNUHMELYYJIO-UHFFFAOYSA-N 322.365 -0.378 30 20 DBED CC#CCNC(=O)NC1CCN(CCS(C)(=O)=O)CC1 135381635 ZKGNVTJBAKUHOB-UHFFFAOYSA-N 301.412 -0.182 30 20 DBED C=CCN(C)C(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 152891128 KLVPLFGHBLKTMV-QWRGUYRKSA-N 300.380 -0.334 30 20 DBED N#Cc1ccc(S(=O)(=O)N2C[C@H](O)[C@@H](O)C2)cc1Cl 236599353 AYCPXAIFAUPZGA-QWRGUYRKSA-N 302.739 -0.062 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)c2cn[nH]c2C)CC1 265082784 XUIKHKMLASZZJK-UHFFFAOYSA-N 303.366 -0.385 30 20 DBED C=CCSCCNC(=O)CN1C(=O)C(=O)N(CC=C)C1=O 299490220 IBGGCFLILKSYOK-UHFFFAOYSA-N 311.363 -0.001 30 20 DBED COc1nccc(N/C(O)=N/[C@H]2CCCS(=O)(=O)C2)n1 328709945 AOOLHEWPPOWICW-QMMMGPOBSA-N 300.340 0.388 30 20 DBED C[C@H]1CN(/C(O)=N/[C@@H]2CC(=O)N(C)C2)C[C@@H](C)S1(=O)=O 329630396 VKOQJNDINBKNPH-KXUCPTDWSA-N 303.384 -0.362 30 20 DBED O=C1C[C@H](/N=C(/O)N2CCN3CCOC[C@H]3C2)CN1C1CC1 329781573 NIQQRXPZDQNSPP-WCQYABFASA-N 308.382 -0.320 30 20 DBED CN(C)C(=O)C/N=C(/O)Nc1ccn(CCN2CCOCC2)n1 331225959 AQRVAVGSAXNUIC-UHFFFAOYSA-N 324.385 -0.371 30 20 DBED COC[C@](C)(NS(=O)(=O)N(C)C[C@@H](C)C#N)C(=O)OC 336942925 KXFBCAGHHOQKEE-ONGXEEELSA-N 307.372 -0.510 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N[C@@H]2C[C@@H]3OCCC[C@@H]32)CCO1 337179725 LSFBZAFSUCXJLB-KKOKHZNYSA-N 301.368 -0.387 30 20 DBED N#CCNC(=O)CNC(=O)[C@H]1COCCN1CC(F)(F)F 343508101 OXYACRJAZCHHSH-MRVPVSSYSA-N 308.260 -0.995 30 20 DBED C=CCCOCCNC(=O)C(=O)N[C@H]1CC(=O)N2CCCC[C@@H]12 355259282 XSTHQIATHQRTAF-STQMWFEESA-N 323.393 -0.035 30 20 DBED COCCN(CC(=O)NCc1cccc(C#N)c1)[C@@H](C)C(N)=O 358354444 LKIQPHYCVYPHFK-LBPRGKRZSA-N 318.377 -0.003 30 20 DBED C=CCNC(=O)CNC(=O)N[C@H]1CCOC[C@H]1OCCOC 362767396 XZHBKLKXHPCVFA-NWDGAFQWSA-N 315.370 -0.592 30 20 DBED COC(=O)[C@H]1CN(S(=O)(=O)N(C)C[C@H](C)C#N)C[C@@H](C)O1 367025757 DTTRILPHVMHKPE-GMTAPVOTSA-N 319.383 -0.415 30 20 DBED C[C@H]1[C@@H](C)S(=O)(=O)CCN1S(=O)(=O)N(C)[C@H](C)CC#N 407974122 CDKKGBJFFHJANJ-OUAUKWLOSA-N 323.440 -0.027 30 20 DBED N#CCC1(O)CN(C[C@H](O)CN2C(=O)c3ccccc3C2=O)C1 429638102 YEOFYKWSHOBJFH-NSHDSACASA-N 315.329 -0.396 30 20 DBED CNC(=O)CN1CCN(S(=O)(=O)CCCCC#N)CC1 486982740 CJXFRJTVHGQXTL-UHFFFAOYSA-N 302.400 -0.626 30 20 DBED C=C(C)CNC(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 488567778 ACVGLSTYDGXKNI-JTQLQIEISA-N 303.384 -0.445 30 20 DBED C#CCN1CCN(C(=O)CN[C@@]2(CC(=O)OC)CCOC2)CC1 490951723 ZQWOMFUJOQGPGN-MRXNPFEDSA-N 323.393 -0.924 30 20 DBED C#CCNC(=O)CN1CCCN(c2nnc(C)c(C)n2)CC1 491022467 RJGAUWMFXBYTSV-UHFFFAOYSA-N 302.382 -0.250 30 20 DBED C#CCNS(=O)(=O)CCCS(=O)(=O)Nc1cc(C)on1 491620842 FTLRMITVARFUQT-UHFFFAOYSA-N 321.380 -0.333 30 20 DBED COC(=O)N[C@@H](C)C(=O)NS(=O)(=O)c1cncc(C#N)c1 495857836 TYILDAAOKPNVPV-ZETCQYMHSA-N 312.307 -0.497 30 20 DBED CN(C)c1nc(N)nc(Cn2cc3c(c(C#N)c2=O)CCC3)n1 571251416 YTRXBWQOMBEKRW-UHFFFAOYSA-N 311.349 0.090 30 20 DBED C=CCN(C[C@@H](O)CN(C)CCOC)[C@H]1CCS(=O)(=O)C1 572732067 QABVDSVBDXEWNT-KBPBESRZSA-N 320.455 -0.399 30 20 DBED CN1CCC[C@@H](NCCS(=O)(=O)c2ccc(C#N)cn2)C1=O 579463160 GGBJOSGPZNSNHN-GFCCVEGCSA-N 322.390 -0.063 30 20 DBED CCN1C[C@H](NC(=O)C(=O)Nc2cccc(C#N)n2)CC1=O 579709135 SPSAEIJHVYLWSG-SNVBAGLBSA-N 301.306 -0.371 30 20 DBED CCc1nc(C#N)cc(N2CCN(CCS(N)(=O)=O)CC2)n1 596142593 RLCWHDHOEBVMQX-UHFFFAOYSA-N 324.410 -0.679 30 20 DBED CC(=O)N1CCN(C(=O)CCNC[C@H](O)CC(C)(C)C#N)CC1 598721189 SXXRBURLLCXVSH-CQSZACIVSA-N 324.425 -0.042 30 20 DBED CC[C@@H](CC#N)NC(=O)C(=O)c1cc(S(N)(=O)=O)cn1C 613521487 FDIOERMIPXKTDP-QMMMGPOBSA-N 312.351 -0.336 30 20 DBED CCCCC=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 755806158 YTSKTRQADUXEFR-UHFFFAOYSA-N 302.356 -0.462 30 20 DBED COC(=O)CNC(=O)COC(=O)C#Cc1ccc2c(c1)OCO2 761212045 LPZGTAXLRVADHW-UHFFFAOYSA-N 319.269 -0.401 30 20 DBED C#C[C@H](NC(=O)Cn1nc2ccccn2c1=O)[C@@H]1CCCO1 772878844 JSFGCHKPJYPSTE-RYUDHWBXSA-N 300.318 -0.207 30 20 DBED C#C[C@H](NC(=O)C(=O)Nc1cnn(CCOC)c1)[C@@H]1CCCO1 773797901 OUPZCQCOVBNKNW-STQMWFEESA-N 320.349 -0.235 30 20 DBED C#C[C@H](N[C@H](C)C(=O)N1CCC(C(N)=O)CC1)[C@H]1CCCO1 775796420 YIIOCXPVTZCOEU-KWCYVHTRSA-N 307.394 -0.131 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCCN(CC)CC1)[C@H]1CCCO1 809306365 PSCPYBCKPZTLCO-UONOGXRCSA-N 307.394 -0.162 30 20 DBED COCCN(CCC#N)C(=O)Nc1nn(C)cc1-c1nn[nH]n1 821688904 BTWVTYLBQZFKIH-UHFFFAOYSA-N 319.329 -0.006 30 20 DBED C=CCS(=O)(=O)CCNC(=O)/C=C1/SCC(=O)N1C 821837897 MQKXHQOKJUHHJW-YRNVUSSQSA-N 304.393 -0.250 30 20 DBED C#CCNC(=O)C1CCN(S(=O)(=O)C[C@H](C)C(=O)O)CC1 825618876 GJDQBRBEUQFZEL-JTQLQIEISA-N 316.379 -0.502 30 20 DBED CC#CC[C@H](CO)NS(=O)(=O)N1CCC2(CC1)OCCO2 828394981 DECZHFMWHQLNPF-GFCCVEGCSA-N 318.395 -0.566 30 20 DBED N#C[C@@H]1CNC[C@@H]1NC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 846677048 JMYNVLFOUOQPMT-WZRBSPASSA-N 302.334 -0.144 30 20 DBED C#CC[C@H](CCOC)NC(=O)N1CCN(CCOC)C(=O)C1 859021118 ZLQAABJPLYGLGU-CYBMUJFWSA-N 311.382 -0.085 30 20 DBED C#CCCOC(=O)NCCNS(=O)(=O)Cc1ccon1 859053916 PGYYKXGMSVJJAH-UHFFFAOYSA-N 301.324 -0.157 30 20 DBED C#C[C@H](NC(=O)NCCCS(=O)(=O)NC)[C@@H]1CCCO1 868940797 WFXRNHYZRRDZQP-QWRGUYRKSA-N 303.384 -0.594 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N[C@@H](C)C[S@@](C)=O 875322367 HSZCLFNBFZFISZ-GLXKHTEVSA-N 302.396 -0.586 30 20 DBED C#CCSCCOC(=O)c1cn(C[C@H]2CNC(=O)O2)nn1 893015609 SATTYSHXJYDZIM-SECBINFHSA-N 310.335 -0.090 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C(N)=O)o1 937536384 DLBLIZMSAKICFV-GUBZILKMSA-N 316.317 -0.037 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H]1CNC(=O)c1nccnc1N 944250069 VCSZUYBYKGQVHA-VHSXEESVSA-N 302.338 -0.061 30 20 DBED CNC(=O)[C@@H](C)N1CCC2(CC1)CN(C(=O)[C@@H](C)C#N)CCO2 949053734 HIZJRWVDGFLHRW-QWHCGFSZSA-N 322.409 -0.026 30 20 DBED C=C(C)CN1CCOC2(CCN(C(=O)[C@@H]3CNC(=O)N3)CC2)C1 949454075 BRXVDERUZVXYBN-ZDUSSCGKSA-N 322.409 -0.063 30 20 DBED COCCn1cc(C(=O)NC[C@@H]2CCN2C(=O)[C@H](C)C#N)nn1 949945236 JTEDPKIURXBIEK-MNOVXSKESA-N 320.353 -0.585 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]1CNC(=O)c1cn(C)ccc1=O 951324249 UTZAFZUQRYHZCL-MNOVXSKESA-N 302.334 -0.124 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@](C)(NC(=O)C2CC(=O)NC(=O)C2)C1 957202635 LJKHHTKAFJHTNP-VFZGTOFNSA-N 320.349 -0.694 30 20 DBED C=CCN1CCN(C(=O)C[C@@]2(C)CCS(=O)(=O)N2)CC1 957462807 TZULXMDTJOOSBO-CYBMUJFWSA-N 301.412 -0.212 30 20 DBED Cc1nnc2ccc(C(=O)NC[C@H]3CN(CC#N)C[C@H]3O)cn12 958199243 GAJXHRJYNYMHAE-QWHCGFSZSA-N 314.349 -0.416 30 20 DBED CN(C)c1ccc(C(=O)NC[C@@H]2CN(CC#N)C[C@@H]2O)nc1 958731753 JDBDSWMSVUSGCI-RISCZKNCSA-N 303.366 -0.306 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)CC1(O)CCC1 960353062 AWQHRLMCFDNCPR-FRRDWIJNSA-N 321.377 -0.111 30 20 DBED C=CCOc1cccnc1C(=O)N1C[C@H](O)[C@H](NC(C)=O)C1 961064015 IYQKWUCYBHONHZ-NEPJUHHUSA-N 305.334 -0.032 30 20 DBED N#Cc1ccc(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@@H]3CCCO3)C2)[nH]1 961390953 HZGGBLQQWCMBTO-AGIUHOORSA-N 318.333 -0.633 30 20 DBED C=CCCn1cc(C(=O)NC2[C@@H]3CN(C[C@@H](C)O)C[C@@H]23)nn1 962000161 JGOYMDHGSSEMSI-IJLUTSLNSA-N 305.382 -0.105 30 20 DBED C=CCCN1C[C@@H]2C(NC(=O)CN3C(=O)NC(=O)C3(C)C)[C@H]2C1 962197026 YONJTZUQEPCTLQ-QWRGUYRKSA-N 320.393 -0.061 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H](NC(=O)Cn2cnnc2O)CC1 964846478 UUGGGADYCZHGMG-QWRGUYRKSA-N 320.353 -0.359 30 20 DBED C[C@H](C#N)C(=O)N1CCOC2(CN(C(=O)c3ccncn3)C2)C1 965474878 SBYUFKOGNVLHDV-LLVKDONJSA-N 315.333 -0.310 30 20 DBED O=C1CC[C@H](C(=O)N2C[C@@H]3CC[C@H](C2)N3C(=O)C#CC2CC2)N1 968989170 PCQXRVRIQNAEMA-HZSPNIEDSA-N 315.373 -0.120 30 20 DBED C=C(C)C(C)(C)C(=O)N1C[C@H](O)[C@H](NC(=O)[C@@H]2CCC(=O)N2)C1 969362756 XGSJCWQWCPYUDV-TUAOUCFPSA-N 323.393 -0.445 30 20 DBED C[C@H](NC(=O)c1ccc(C#N)[nH]1)C1CN(CCS(C)(=O)=O)C1 969514083 JTSSJEFDTNFWGC-JTQLQIEISA-N 324.406 -0.019 30 20 DBED CCc1nc[nH]c1C(=O)N[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1O 969682739 YRYLJAWHBVGERT-IEBDPFPHSA-N 305.338 -0.567 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@H](NC(=O)Cc2nonc2C)C1 970258591 VZUIFYDENCCWJU-NEPJUHHUSA-N 322.365 -0.179 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CC[C@H]1CN2Cc1nc(=O)n(C)[nH]1 971194944 LOMJHGCHTPOXEK-MXWKQRLJSA-N 304.354 -0.557 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)CCc3cn(C)nn3)C2)C1 972705241 SXTJMRSMSGZUMR-MRXNPFEDSA-N 317.393 -0.316 30 20 DBED CCn1ncc(C(=O)N[C@H]2[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]32)n1 976452696 YUNCARFBQFVCNJ-JYAVWHMHSA-N 313.361 -0.102 30 20 DBED CNC(=O)CN1C[C@@H]2C(CNC(=O)c3c[nH]c(C#N)c3)[C@H]2C1 978027807 IAJOBCODDCQCPZ-CHWSQXEVSA-N 301.350 -0.460 30 20 DBED C#CCN1C[C@H]2[C@H](CNC(=O)c3cnn(CCN(C)C)c3)[C@H]2C1 978854575 VHJZOPRCCASVGY-PHZGNYQRSA-N 315.421 -0.015 30 20 DBED C=C(C)CN(C)[C@@H]1CCN(C(=O)Cn2nc(C)n(C)c2=O)C1 980296634 RVYMVQCDXFYJGJ-CYBMUJFWSA-N 307.398 -0.001 30 20 DBED O=C1NC[C@@H](C(=O)NC[C@H]2CCN(C(=O)C#CC3CC3)C2)N1 982746859 XFJBASKHLJELPC-NEPJUHHUSA-N 304.350 -0.954 30 20 DBED CC(=O)N1CCOC[C@H]1C(=O)N1CCC(N(C)CC#N)CC1 985799985 VOXMLOSXPCPUIN-AWEZNQCLSA-N 308.382 -0.320 30 20 DBED C#Cc1ccc(C(=O)N2CC(NC(=O)Cn3cccn3)C2)cn1 990240242 SLPHFYCUXVCCMA-UHFFFAOYSA-N 309.329 -0.100 30 20 DBED C#CCN1CCC(C(=O)NC2CN(C(=O)[C@H](C)C#N)C2)CC1 993856345 XVOPMLJDYDTVQL-GFCCVEGCSA-N 302.378 -0.182 30 20 DBED C=C[C@](C)(CC)C(=O)N1CC(NC(=O)CN2CCNC(=O)C2)C1 997401483 SLCGBTHKEDANMR-MRXNPFEDSA-N 322.409 -0.653 30 20 DBED C#Cc1ccc(C(=O)N2CC(NC(=O)Cc3ncc[nH]3)C2)nc1 998383604 QZEMGOKPIGWKKH-UHFFFAOYSA-N 309.329 -0.031 30 20 DBED N#Cc1ccc(C(=O)N2CCC[C@@H](N[C@@H]3CCNC3=O)C2)[nH]1 998963690 ZBJONRSNAYDCHY-VXGBXAGGSA-N 301.350 -0.031 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)Cn2cccn2)C1 999987947 NNHXOUWBBGTEPP-OLZOCXBDSA-N 304.350 -0.199 30 20 DBED CN1CC[C@H](C(=O)NCc2cn([C@H]3CCN(CC#N)C3)nn2)C1 1000046455 UEVKYBUOOTXEOX-JSGCOSHPSA-N 317.397 -0.384 30 20 DBED C=CCCN1CCC(NC(=O)[C@@H]2CCS(=O)(=O)N2)CC1 1004166740 KXLLXTPJLDOJMI-LBPRGKRZSA-N 301.412 -0.165 30 20 DBED C[C@@H](NC(=O)c1cc(C#N)c[nH]1)C1CN(C(=O)c2cnn[nH]2)C1 1005869010 MJQSBSAORLIMOP-MRVPVSSYSA-N 313.321 -0.105 30 20 DBED O=C(Cn1cnnn1)N[C@H]1CCN(CC#Cc2ccccc2)C1 1010103121 DIJCVWCFFBYZDH-HNNXBMFYSA-N 310.361 -0.085 30 20 DBED C=CCn1cc(C(=O)N2CCN(C(=O)c3ncc[nH]3)CC2)nn1 1011102289 GXKRQQOSRYBQRA-UHFFFAOYSA-N 315.337 -0.215 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2nc(O)n[nH]2)C1 1014777528 YBBHLDCBNQNJTH-RYUDHWBXSA-N 318.381 -0.702 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 1015455772 JZGZDSWIAIAXHU-LLVKDONJSA-N 314.353 -0.479 30 20 DBED C=C(C)CN1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1c(O)nnc1O 1018220978 ZDGLMLGSRBNVAT-PHIMTYICSA-N 307.354 -0.059 30 20 DBED C#CCCN1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CNC1=O 1018246109 JZLGTRPETTUCKS-TXEJJXNPSA-N 304.350 -0.763 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCN(C(=O)CCn3ccnn3)C2)C1 1019363209 NZTWRMBSVIKGBH-GFCCVEGCSA-N 316.365 -0.111 30 20 DBED Cn1cc(C(N)=O)cc1C(=O)N1C[C@@H]2CC[C@H](C1)N2CC#N 1029380077 LCDGKJVPBTZQPW-TXEJJXNPSA-N 301.350 -0.064 30 20 DBED C#CCOc1ncccc1C(=O)NC1CN([C@@H]2CCNC2=O)C1 1031275865 CAMUJXYLUNMQAQ-CYBMUJFWSA-N 314.345 -0.604 30 20 DBED N#CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCc2nnc(O)n2C1 1032484297 HOMWOYXGGLBQJU-VWYCJHECSA-N 302.338 -0.645 30 20 DBED CCN(C(=O)c1cn(CCOC)nn1)[C@@H]1CCN(CC#N)C1 1033829077 HHQWWLIWJMUONE-GFCCVEGCSA-N 306.370 -0.016 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)c2c(C)c[nH]c2CC(N)=O)C1 1035519985 LIZYUZIOVDBJEN-LBPRGKRZSA-N 318.377 -0.585 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H]3[C@@H](CCN3CC(N)=O)C2)nn1 1036837843 OZTZPMFFYYWRTK-AAEUAGOBSA-N 318.381 -0.514 30 20 DBED N#Cc1ccc(CN2C[C@H]3C[C@H]2[C@H]3NC(=O)Cn2cnnn2)cc1 1037312523 WGCULABZIBEIGU-YCPHGPKFSA-N 323.360 -0.066 30 20 DBED Cc1nc(C(=O)N[C@@H]2[C@H]3C[C@H]2N(CC#N)C3)nn1-c1nc[nH]n1 1037535219 DIDYAPDFEGWUTK-IVZWLZJFSA-N 313.325 -0.980 30 20 DBED C=CCCn1cc(C(=O)N[C@@H]2[C@H]3C[C@H]2N(CC(N)=O)C3)nn1 1037619838 MNOIQIBRKLGJPR-UFGOTCBOSA-N 304.354 -0.858 30 20 DBED C=C(C)CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)c1cn(CC(N)=O)nn1 1037742012 DAJOWQSYEWBHLS-OSMZGAPFSA-N 318.381 -0.468 30 20 DBED Cc1cn(C)nc1C(=O)NC[C@]1(O)CCN(C(=O)[C@@H](C)C#N)C1 1039694897 MUYMTVCSVOZORL-ZUZCIYMTSA-N 319.365 -0.419 30 20 DBED C=CC(C)(C)C(=O)NC[C@@]1(O)CCN(C(=O)C2(C(N)=O)CC2)C1 1040490485 JYGRCJOGTBPNFJ-HNNXBMFYSA-N 323.393 -0.456 30 20 DBED C=CCCCC(=O)NC[C@]1(O)CCN(C(=O)CNC(N)=O)C1 1040728071 WDRBBHATXHOEGI-CQSZACIVSA-N 312.370 -0.909 30 20 DBED C=CCCC(=O)N1CC[C@@](O)(CNC(=O)c2cn(C)c(O)n2)C1 1040805295 WGTWURLWYUZLCZ-OAHLLOKOSA-N 322.365 -0.215 30 20 DBED CC[C@@H](OC)C(=O)NCC1(O)CN(C(=O)c2c[nH]c(C#N)c2)C1 1041904249 FMCAWNHIXZUSJT-GFCCVEGCSA-N 320.349 -0.386 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)C2(C(=O)NC)CC2)C1 1041956289 DOQLVRBUJARBHX-UHFFFAOYSA-N 309.366 -0.832 30 20 DBED N#CCN1CC[C@H]2CCN(C(=O)CN3CCCNC3=O)C[C@@H]21 1042136173 RPLBIZZAWNPFMN-STQMWFEESA-N 305.382 -0.152 30 20 DBED N#Cc1cc(C(=O)NCC2(O)CN(C(=O)C#CC3CC3)C2)c[nH]1 1042669527 PZCOCKNTSQBGMR-UHFFFAOYSA-N 312.329 -0.397 30 20 DBED C[C@@H]1CN(C(=O)[C@H]2COC(=O)N2)C[C@H]1Nc1nccnc1C#N 1043155355 UJLTXELJKDNTBU-FBIMIBRVSA-N 316.321 -0.285 30 20 DBED C[C@@H]1CN(C(=O)[C@@H]2CCN(C)C2)C[C@H]1N=c1cc[nH]c(C#N)n1 1043204481 CZLCASCQCGFACG-JHJVBQTASA-N 314.393 -0.019 30 20 DBED CCN1CCCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@@H](C)C#N)C1 1043432585 JAELKSITDHBBAA-STQMWFEESA-N 322.409 -0.290 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)C2(C(=O)NC)CC2)C1 1043848962 BSUQQRQBAGFGOS-UHFFFAOYSA-N 323.393 -0.586 30 20 DBED CC#CCN1CC(N(C)C(=O)C2CC3(C2)NC(=O)NC3=O)C1 1044039407 JIIYIKDPVZOTND-UHFFFAOYSA-N 304.350 -0.860 30 20 DBED C#CCN[C@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)[C@H](C)C1 1044819578 LJHNCTDTNLFHCL-MNOVXSKESA-N 314.349 -0.367 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)c2ccn(C)c2C)C1 1046225082 QOFHLGNBAVCCTP-UHFFFAOYSA-N 321.377 -0.161 30 20 DBED N#Cc1cnc(N[C@H]2C[C@@H](CNC(=O)[C@@H]3CCC(=O)N3)C2)cn1 1046422474 KBCLAUUIFJJEJA-UMNHJUIQSA-N 314.349 -0.066 30 20 DBED N#Cc1cnc(N[C@H]2C[C@H](CNC(=O)[C@@H]3CCNC3=O)C2)cn1 1046983038 VJZWMBJWNXFVOF-CKYFFXLPSA-N 314.349 -0.209 30 20 DBED C=CCN1CC[C@H](N2C[C@H](O)[C@@H](N(C)C(=O)C(F)F)C2)C1=O 1047271828 VOVNAOSSGYEADC-DCAQKATOSA-N 317.336 -0.458 30 20 DBED C=C(C)CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC(=O)N(C)C2)C1 1047401715 FFGCMHULHGVAPF-RDBSUJKOSA-N 309.410 -0.066 30 20 DBED C=CCCC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CN(C)C(=O)N2)C[C@@H]1O 1048539364 FLTCIGGLXLNTEC-SRVKXCTJSA-N 324.381 -0.994 30 20 DBED C=CCOCC(=O)N(C)[C@H]1CN(C(=O)[C@H]2CCCO2)C[C@@H]1O 1048551620 MNSZPJGWJPMTBU-RWMBFGLXSA-N 312.366 -0.602 30 20 DBED CN(C(=O)C#CC1CC1)[C@H]1CN(C(=O)Cn2cccn2)C[C@@H]1O 1048821488 OUNLYKKANOFQBI-KBPBESRZSA-N 316.361 -0.673 30 20 DBED N#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCS(=O)(=O)N1 1049898792 DXOBSVHQMRLSFQ-SDDRHHMPSA-N 312.395 -0.733 30 20 DBED C=CCN1CCOC[C@@H]1CNC(=O)c1cn([C@@H]2CCOC2)nn1 1051202206 GUTCORLHLHYDCU-OLZOCXBDSA-N 321.381 -0.144 30 20 DBED N#Cc1cncc(N2CC[C@H](NC(=O)c3cocn3)[C@H](O)C2)n1 1051637919 JXEPDFAMMAZHOK-CMPLNLGQSA-N 314.305 -0.294 30 20 DBED N#Cc1ccc(N2CC[C@@H](NC(=O)c3cnn[nH]3)[C@@H](O)C2)nc1 1051808324 ZRWICLCGLJAQRB-PWSUYJOCSA-N 313.321 -0.559 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)[C@@H]3CCCNC3=O)CO2)C1 1053836184 UGMGNELINNECOG-QWHCGFSZSA-N 305.378 -0.505 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)[C@@H]3COCCN3CC)CO2)C1 1053853304 BUMQBPIFSXUOJR-CABCVRRESA-N 321.421 -0.310 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)c3ccn4nnnc4c3)CO2)C1 1053890933 MQXILDCKQHIEDR-GFCCVEGCSA-N 312.333 -0.669 30 20 DBED CN1CC[C@H](C(=O)N[C@H]2[C@@H]3CN(c4cncc(C#N)n4)C[C@@H]32)C1 1056229729 ZNHDGQCOXDMZTH-MUYACECFSA-N 312.377 -0.149 30 20 DBED N#Cc1nccnc1N1C[C@@H]2C(NC(=O)C34CCN(CC3)C4)[C@H]2C1 1056268056 STPRUCNPMGMQIQ-RYUDHWBXSA-N 324.388 -0.005 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)C[C@H](C)OC 1057193593 KMYMZHNSOWPVKR-LBPRGKRZSA-N 302.371 -0.449 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)Cc1ccon1 1057240386 FHTXFEMGOOMVMZ-UHFFFAOYSA-N 307.350 -0.042 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)CN(C)C(C)=O 1057439499 PKESOOCADIJDHB-UHFFFAOYSA-N 311.382 -0.795 30 20 DBED C#CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)[C@@H]1CC1(F)F 1057582884 BPCHEFYEQZECAE-QWRGUYRKSA-N 318.320 -0.383 30 20 DBED CC(C)(C)C#CC(=O)NCCN(CCO)C(=O)[C@H]1CCNC1=O 1058296730 PVHOVMQLAPHAMS-LBPRGKRZSA-N 323.393 -0.891 30 20 DBED N#Cc1cncc(N2CC[C@H](NC(=O)CN3CCCC3=O)C2)n1 1058308078 GUIZHOITXYAASK-NSHDSACASA-N 314.349 -0.334 30 20 DBED C=C[C@@H](C)[C@@H](C)C(=O)N(CCO)CCNC(=O)Cn1nccn1 1058437552 GTZKVWQLJBTXFD-CHWSQXEVSA-N 323.397 -0.327 30 20 DBED C#CCO[C@H](C)C(=O)N1CCOC[C@@H]1CNC(=O)c1cocn1 1061414918 KGXUUNXKUWXCIP-NEPJUHHUSA-N 321.333 -0.330 30 20 DBED CCNC(=O)CC(=O)NC[C@@H]1COCCN1C(=O)[C@H](C)C#N 1061519228 YPLWJJYQVAQPMX-GHMZBOCLSA-N 310.354 -0.984 30 20 DBED CN(C)CCC(=O)NC[C@@H]1COCCN1C(=O)C#CC1CC1 1061859185 GYANZMKBLXIVLR-CQSZACIVSA-N 307.394 -0.305 30 20 DBED N#Cc1cncc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)C2=COCCO2)n1 1064212622 RLECKHIOPDEHNJ-PUYPPJJSSA-N 313.317 -0.070 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)C#CC2CC2)CCO1 1065134940 OQVIYJYIVWQZMN-AWEZNQCLSA-N 306.362 -0.054 30 20 DBED N#Cc1cncc(N2C[C@H]3C[C@@H](NC(=O)C(N)=O)CC[C@H]3C2)n1 1068267336 QLVLTHPBNAYRKL-AXFHLTTASA-N 314.349 -0.445 30 20 DBED N#Cc1ccc(NC[C@H]2C[C@H](NC(=O)Cn3cnnn3)C2)nc1 1068449742 YGGGDRLFPFDUPR-HAQNSBGRSA-N 312.337 -0.053 30 20 DBED CCC(=O)NCC(=O)N1CC2(C[C@@H](NC(=O)[C@H](C)C#N)CO2)C1 1069003959 QUYNEYSMZVMQEQ-GHMZBOCLSA-N 322.365 -0.842 30 20 DBED CCC1(NC(=O)Cn2cnnn2)CCN(C(=O)[C@@H](C)C#N)CC1 1069582714 LRUZQQZRVDONGD-NSHDSACASA-N 319.369 -0.280 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)Cn2nccn2)CCOCC1 1070128488 QALCSXNVILJMCA-LLVKDONJSA-N 320.353 -0.781 30 20 DBED C=CCOCC(=O)N1CCC[C@@H](NC(=O)[C@H]2COCCO2)C1 1070553140 BPOXEBGWLVFHFK-CHWSQXEVSA-N 312.366 -0.288 30 20 DBED CC#CCN1C[C@H]2C[C@H]3CN(C(=O)[C@H]4COCCO4)C[C@@]3(C1)O2 1070766601 CZTYLDONKHRNHI-KLZNWCGWSA-N 320.389 -0.273 30 20 DBED C#CCCN1CCNC(=O)CCN(C(=O)CC(C)(C)O)CC1 1070960183 ZLWDYJOQWITZRB-UHFFFAOYSA-N 309.410 -0.179 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)C[C@@H]2CCNC2=O)CC1 1070969447 RCCQUZUGFDCIQY-ZDUSSCGKSA-N 322.409 -0.651 30 20 DBED C=CCCC(=O)N[C@@H]1CCCN(C(=O)Cn2c(O)nnc2O)C1 1071058502 QZNMTCASTKEWAE-SNVBAGLBSA-N 323.353 -0.237 30 20 DBED C#CCN1CC[C@@]2(C1)CN(C(=O)c1cnn(C)c1N)C[C@H](C)O2 1071160065 WUSDHHLGEIBYCH-BLLLJJGKSA-N 317.393 -0.059 30 20 DBED C=CCN1CC[C@@]2(C1)CN(C(=O)Cn1ncnn1)C[C@H](C)O2 1071168754 HFKBIBIJSSFJJF-GXTWGEPZSA-N 306.370 -0.449 30 20 DBED C#CCN1C[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)CC[C@H]1C 1071549644 SJEHLZRHZBWUMA-OLZOCXBDSA-N 318.377 -0.851 30 20 DBED C=CCOCC(=O)N[C@H]1CN(C(=O)CN2CCCC2=O)C[C@H]1C 1071556462 JHVSXVOJBRYZCK-OLZOCXBDSA-N 323.393 -0.226 30 20 DBED C=CCOCC(=O)N1C[C@@H](NC(=O)c2nnn(C)c2C)[C@H](C)C1 1071807894 BZHOMCOZRSRDCV-ZYHUDNBSSA-N 321.381 -0.097 30 20 DBED C=CCN1C[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)CC[C@@H]1C 1071860313 HIXBFFLBOAEHCM-RYUDHWBXSA-N 320.393 -0.147 30 20 DBED C=CCN1C[C@@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)CC[C@@H]1C 1071865449 JVSXNZWULGONFH-QWRGUYRKSA-N 322.365 -0.438 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2(C(N)=O)CC2)C1 1072048484 LLHVTBJGVJGRFC-NEPJUHHUSA-N 305.378 -0.126 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(C(=O)Cn2nccn2)C[C@@H]1C 1072184423 VZUZKKJLMWSRBY-QWHCGFSZSA-N 303.366 -0.099 30 20 DBED C#CCOCCC(=O)N1CC(N2CCN(C(=O)COC)CC2)C1 1073525986 KMWWYOUAWZVVBO-UHFFFAOYSA-N 323.393 -0.972 30 20 DBED CO[C@H](C)CC(=O)N1CCN(C2CN(C(=O)[C@@H](C)C#N)C2)CC1 1073549689 ROZWAYAVAPIULG-QWHCGFSZSA-N 322.409 -0.074 30 20 DBED N#CCN1CCCO[C@H](CNC(=O)[C@@H]2CCS(=O)(=O)C2)C1 1073684268 MJKHQTYHUFVWPB-VXGBXAGGSA-N 315.395 -0.848 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)[C@@H]2CN(CC)CCO2)C1 1073896288 OTPOWJLYEWGSTQ-CABCVRRESA-N 309.410 -0.453 30 20 DBED C#CCOCCC(=O)NCC[C@H](C)NC(=O)c1[nH]nnc1C 1076507655 PXFLVMRLDXOMFS-JTQLQIEISA-N 307.354 -0.222 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2cn3c(n2)C[C@H](C)CC3)C1 1077223812 OOQQCZIKYKODOO-YRGRVCCFSA-N 302.378 -0.127 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2nnc3ccccc3c2O)C1 1077766673 PSAHALYFHDMOPH-VXGBXAGGSA-N 313.317 -0.366 30 20 DBED C#CCC1(C(=O)N[C@@H](C)CCNC(=O)[C@H]2CNC(=O)N2)CCC1 1078092519 QNEPSXZRXPFIMX-NWDGAFQWSA-N 320.393 -0.128 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)c2ccc(C(N)=O)cn2)C1 1078267062 RDPFAEOOIBPFEL-CHWSQXEVSA-N 304.350 -0.469 30 20 DBED N#CCN[C@@H]1C[C@@H](NC(=O)CN2CC(=O)NC2=O)C12CCC2 1078750836 YOEBJSXTRSQRAA-NXEZZACHSA-N 305.338 -0.921 30 20 DBED CCN(C(=O)CCNC(=O)COC)C1CN(C(=O)[C@H](C)C#N)C1 1079917829 QRRLAGLKSBDXCR-LLVKDONJSA-N 324.381 -0.642 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@H]1COCCN1CC(F)F 1080195978 BQNKXPVCTINMSQ-IJLUTSLNSA-N 316.352 -0.088 30 20 DBED CCOCC(=O)N1CCC(CO)(NC(=O)C#CC2CC2)CC1 1080853206 OBSDPAMOEPESGI-UHFFFAOYSA-N 308.378 -0.094 30 20 DBED C=C[C@H](C)[C@@H](C)C(=O)NC1(CO)CCN(C(=O)C(N)=O)CC1 1080951771 FTYXXKPGVKXBCA-WDEREUQCSA-N 311.382 -0.600 30 20 DBED C=CCCCC(=O)NC[C@H]1CN(C(=O)Cn2nccn2)C[C@H]1O 1081705043 LNZGGPUZKQECEH-QWHCGFSZSA-N 321.381 -0.430 30 20 DBED C#CCCN1C[C@@H](NC(=O)[C@@H]2COCCN2CC)[C@H](OC)C1 1081873360 RJOZXMKLJXDLHT-QLFBSQMISA-N 309.410 -0.454 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1ccnc(NC(C)=O)c1 1082254043 FSQXEVRIJYOVEI-CHWSQXEVSA-N 317.349 -0.007 30 20 DBED C=C(Cl)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CCC(=O)N1 1083024816 AYNNUQDQMKIFBH-GRYCIOLGSA-N 313.785 -0.071 30 20 DBED C=CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1nnc(O)nc1O 1083131553 AMFWTSZSQSVFET-VHSXEESVSA-N 321.337 -0.616 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCc3cncn3C2)C1 1083583879 VOZHPWMVDLXAAL-CFVMTHIKSA-N 302.378 -0.370 30 20 DBED C=C1CCC(C(=O)N[C@@H]2CN([C@H]3CCNC3=O)C[C@@H]2O)CC1 1083754407 PXBNZBHZWXRJFH-RDBSUJKOSA-N 307.394 -0.217 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1C 1090651893 JSUDYHUAMYGSFW-BXKDBHETSA-N 302.338 -0.575 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2cnc(OC)nc2)[C@@H](O)C1 1090699239 VOUHZYILXMCDHB-STQMWFEESA-N 304.350 -0.327 30 20 DBED COCC(=O)N[C@@H]1CCN(c2cc(C)ncc2C#N)C[C@H]1O 1092125487 DNNBQTCJBYLGKQ-TZMCWYRMSA-N 304.350 -0.036 30 20 DBED CCc1nc(C#N)cc(NCCNC(=O)C2CN(C(C)=O)C2)n1 1093576876 XGXQKXIABRAVAX-UHFFFAOYSA-N 316.365 -0.083 30 20 DBED CCC(=O)N1CC[C@H](C(=O)NCCN=c2cc[nH]c(C#N)n2)C1 1093843496 RYKRWQPQJZUIGA-NSHDSACASA-N 316.365 -0.443 30 20 DBED CC(C)(C)n1nnc(C(=O)NCCN=c2cc[nH]cc2C#N)n1 1094203575 WYRZVLNZSVXBSH-UHFFFAOYSA-N 314.353 -0.041 30 20 DBED C#CCN1CC(n2cc(CNC(=O)c3cnns3)nn2)C1 1094277736 WGUZUNSSKFYFIR-UHFFFAOYSA-N 303.351 -0.451 30 20 DBED Cc1nnccc1C(=O)NCc1cn(C2CN(CC#N)C2)nn1 1094303611 REAZOBIXKPSVGO-UHFFFAOYSA-N 312.337 -0.313 30 20 DBED C[C@@H]1CO[C@@H](C(=O)NCc2cn(C3CN(CC#N)C3)nn2)C1 1094306932 ZIIXFELMWUXCAZ-GXFFZTMASA-N 304.354 -0.300 30 20 DBED N#CCSCC(=O)NCCCNc1ccc2nnnn2n1 1094311576 HKAGTLOBOXDFJO-UHFFFAOYSA-N 306.355 -0.306 30 20 DBED Cc1nc(CC(=O)NCCCNc2nccnc2C#N)n[nH]1 1094401829 LSJQPXGJXOVOQO-UHFFFAOYSA-N 300.326 -0.064 30 20 DBED CC#CCN1CC(N2C[C@@H](NC(=O)Cn3cccn3)CC2=O)C1 1094706290 YSCKKQHXBRXLLX-ZDUSSCGKSA-N 315.377 -0.692 30 20 DBED C=C(C)CN1CC(N2C[C@H](NC(=O)c3cnn(C)n3)CC2=O)C1 1094795758 YIQFZNFUUVWQLH-LLVKDONJSA-N 318.381 -0.594 30 20 DBED C#CCN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cc(=O)n(C)cn1)C2 1094940601 IPKOEICWNQODLQ-AVGNSLFASA-N 300.362 -0.004 30 20 DBED N#CCN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1CC(=O)NC(=O)C1)C2 1095017358 ZIKWTKZQJYHTJX-DLOVCJGASA-N 304.350 -0.468 30 20 DBED N#Cc1nccnc1N[C@@H]1CCN(C(=O)C(=O)NCC2CC2)C1 1095053531 CRGOKGAMWNKTET-LLVKDONJSA-N 314.349 -0.113 30 20 DBED C[C@@H](CC(=O)N1CC[C@@H](N=c2cc[nH]c(C#N)n2)C1)NC(N)=O 1095061919 QNCQJXJSWMQEJE-VHSXEESVSA-N 317.353 -0.770 30 20 DBED CC(=O)N(C)CC(=O)NC1CCN(c2cncc(C#N)n2)CC1 1095405771 YKIJFONRBZCUJX-UHFFFAOYSA-N 316.365 -0.088 30 20 DBED CCC(=O)NCC(=O)N[C@H]1CCN(c2ccnc(C#N)n2)C1 1096330582 HIFGHPVRGPSZBC-JTQLQIEISA-N 302.338 -0.431 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CCN(c2nc(O)c3cnn(C)c3n2)C1 1096338957 OAYNGNCNHXYWIK-DTWKUNHWSA-N 315.337 -0.077 30 20 DBED CS(=O)(=O)CC(=O)N[C@H]1C[C@H](Nc2nccnc2C#N)C1 1096996384 UNKJEQWHBBLHKC-KYZUINATSA-N 309.351 -0.548 30 20 DBED N#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cc1ccc(C(N)=O)nc1 1097334291 TZZJQZSQNSQKTN-BNOWGMLFSA-N 313.361 -0.032 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)Cn1cnnn1)C[C@H](C)O2 1098561319 AWNMBNQHVANFLA-ZDUSSCGKSA-N 318.381 -0.612 30 20 DBED COC[C@H](OC)C(=O)N1CC[C@H](CN=c2cc[nH]c(C#N)n2)C1 1098575688 AEQXYSRFOOAFHG-NEPJUHHUSA-N 319.365 -0.308 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2n[nH]cc2C)[C@H](O)C1 1099813678 SNZLGYDWPAOCIJ-CHWSQXEVSA-N 306.366 -0.467 30 20 DBED CCCNC(=O)CCCC(=O)N[C@H]1CCN(CC#N)C[C@H]1O 1100079214 VZULUBFGXGMJFN-QWHCGFSZSA-N 310.398 -0.242 30 20 DBED CC#CCN1CC[C@H](NC(=O)CNC(=O)c2ccco2)[C@@H](O)C1 1100096154 ANRSQMBQGGOMJU-STQMWFEESA-N 319.361 -0.416 30 20 DBED CN(CCNC(=O)[C@]1(C)CCC(=O)N1)c1ccc(C#N)nn1 1100309985 XBUJUHWIUFFVGN-AWEZNQCLSA-N 302.338 -0.431 30 20 DBED CCN(CCNC(=O)[C@H]1CCN(C)C1=O)c1cncc(C#N)n1 1100681988 OZTSMONCVRAHAA-GFCCVEGCSA-N 316.365 -0.231 30 20 DBED CCCN(CCNC(=O)Cn1ncnn1)c1ccc(C#N)nn1 1101191253 YRMIRXYRJDLXTM-UHFFFAOYSA-N 315.341 -0.632 30 20 DBED N#Cc1ccc(N(CCNC(=O)[C@H]2CNC(=O)N2)C2CC2)cn1 1101432688 IEDVIDUKWGKQOG-CYBMUJFWSA-N 314.349 -0.280 30 20 DBED CN1CCO[C@@H](C(=O)N(C)CCNc2cnc(C#N)cn2)C1 1101538252 OWDWSEFCUZCKAO-GFCCVEGCSA-N 304.354 -0.451 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)c1cnn2cc[nH]c12 1101715809 VSMOQDGGQLQQPD-UHFFFAOYSA-N 310.321 -0.070 30 20 DBED C[C@@H](CC(=O)N(C)CCNc1cnc(C#N)cn1)NC(N)=O 1101786347 UCKUDXZGNVNIPP-VIFPVBQESA-N 305.342 -0.335 30 20 DBED COCCCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)[C@H](C)C#N)C1 1101824189 YNORFJKJYZLXML-MGPQQGTHSA-N 324.425 -0.017 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(F)cn1 1102547761 NVWGLWSMSGVUNK-QWRGUYRKSA-N 317.324 -0.455 30 20 DBED CNC(=O)NCC(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(C#N)nn1 1102574973 AIBHLCIYBIVSRW-QWRGUYRKSA-N 315.337 -0.933 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)CNc1cncc(C#N)n1 1104184378 XQDADLWHYSKRRU-SCZZXKLOSA-N 303.326 -0.806 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)C2=COCCO2)nc1 1105715206 OHEBDMNYHJEBCH-LLVKDONJSA-N 304.306 -0.270 30 20 DBED CC(=O)N[C@@H](C)C(=O)NC[C@@H](O)CNc1ncc(C#N)cc1F 1105735374 PWBKXEVRRSWLAL-KWQFWETISA-N 323.328 -0.494 30 20 DBED Cc1ncc(C(=O)NC[C@H](O)CNc2cncc(C#N)n2)[nH]1 1105750190 IAGXBNJENFSNCH-SNVBAGLBSA-N 301.310 -0.417 30 20 DBED N#Cc1nc(=NC[C@@H](O)CNC(=O)C2CC(F)(F)C2)cc[nH]1 1105785835 COZFDLPQCLHELE-SECBINFHSA-N 311.292 -0.296 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)Cc2cncnc2)nn1 1105806333 VCYZVOBHJNGRJA-LBPRGKRZSA-N 313.321 -0.730 30 20 DBED Cc1nscc1C(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1 1105828337 FOWFOGJGHQKBCB-SECBINFHSA-N 318.362 -0.262 30 20 DBED CN1CC[C@@H](C(=O)NC[C@H](O)CN=c2cc[nH]cc2C#N)C1 1105854136 UUMRFMNTBZFSDI-DGCLKSJQSA-N 303.366 -0.784 30 20 DBED Cc1nonc1C(=O)NC[C@H](O)CN=c1cc[nH]cc1C#N 1105884754 POYJTKTVRJFASH-SNVBAGLBSA-N 302.294 -0.731 30 20 DBED CN(C)[C@@H](C(=O)NC[C@@H](O)CNc1nccnc1C#N)C1CC1 1105995669 VKJGEPLSPPWQET-WCQYABFASA-N 318.381 -0.423 30 20 DBED C[C@@H](CC(=O)N[C@H](C)CCN=c1cc[nH]c(C#N)n1)NC(N)=O 1106446495 ISMSKPZGJYTZOE-ZJUUUORDSA-N 319.369 -0.476 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)CO[C@@H]1CCOC1 1106856440 CRVQHDAXFJWMQQ-GFCCVEGCSA-N 319.365 -0.164 30 20 DBED C=C(C)CCC(=O)NCc1cn(C2CN([C@@H](C)C(N)=O)C2)nn1 1107176739 KUZZBUXLWAAPAM-NSHDSACASA-N 320.397 -0.019 30 20 DBED CCn1cc(C(=O)NC/C=C\CN=c2cc[nH]c(C#N)n2)nn1 1107308245 ORCGKRIJESOHSJ-ARJAWSKDSA-N 312.337 -0.220 30 20 DBED Cc1cc(=NC/C=C\CNC(=O)[C@H]2C[C@H]2C(N)=O)c(C#N)c[nH]1 1107516479 FRZDFVDUVGZRDA-FAQRPARDSA-N 313.361 -0.111 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)Cn1ccccc1=O 1107751043 NGRXLSXBGXBMHY-LLVKDONJSA-N 312.333 -0.451 30 20 DBED C[C@@H](C(=O)N[C@H](C)CNc1cncc(C#N)n1)N1CCOCC1 1107824263 PTBRPOSPBIBOGX-NEPJUHHUSA-N 318.381 -0.014 30 20 DBED COCC#CCN1CCO[C@](C)(CNC(=O)c2cnnn2C)C1 1107910809 POUQDDXNKMKBLY-OAHLLOKOSA-N 321.381 -0.714 30 20 DBED C#CCOCCC(=O)NC[C@@]1(C)CN([C@H](C)C(N)=O)CCO1 1107939605 GMYGCGPZLRHULA-DOMZBBRYSA-N 311.382 -0.893 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)[C@@]2(CC)CCNC2=O)C1 1108008164 MGJLPYGGWWAINA-HOTGVXAUSA-N 307.394 -0.257 30 20 DBED CC#CCN1CCO[C@](C)(CNC(=O)C2(C(=O)NC)CC2)C1 1108276857 VWWBZCPAAAXWOB-OAHLLOKOSA-N 307.394 -0.257 30 20 DBED COCCN1CC(N2C[C@H](NC(=O)C#CC3CC3)CC2=O)C1 1108545026 MQFDHYOVFRPGEE-CYBMUJFWSA-N 305.378 -0.553 30 20 DBED C[C@@H](CNc1nccnc1C#N)NC(=O)CC1CS(=O)(=O)C1 1108596290 KTYOLVUPIDFNOD-VIFPVBQESA-N 323.378 -0.300 30 20 DBED C[C@@H](CN(C)c1cnc(C#N)cn1)NC(=O)c1cnnn1C 1108921397 JYBAIGXPEPMNLZ-VIFPVBQESA-N 300.326 -0.269 30 20 DBED CNC(=O)NCC(=O)N[C@H](C)CN(C)c1ccncc1C#N 1109287312 JVTYDVQNSLKZSH-SNVBAGLBSA-N 304.354 -0.177 30 20 DBED CC(=O)N[C@@H](C)C(=O)N(C)CCCN=c1cc[nH]c(C#N)n1 1109362222 GBOOTCGIGMFOBV-JTQLQIEISA-N 304.354 -0.445 30 20 DBED Cc1cc(C#N)nc(NCCCN(C)C(=O)Cn2ncnn2)n1 1109528421 QLLNKYSWSYXTEB-UHFFFAOYSA-N 315.341 -0.396 30 20 DBED CN(CCCNc1cncc(C#N)n1)C(=O)Cn1ncnn1 1109528538 WNAVFDIUVYBFSY-UHFFFAOYSA-N 301.314 -0.705 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H]1COC(=O)N1 1110506377 PELUHOACYWDKLM-LPWJVIDDSA-N 307.350 -0.534 30 20 DBED COC(=O)NCC(=O)N[C@@]1(C)CCN(c2cnc(C#N)cn2)C1 1110711368 XHEJTHRXYMVBQC-AWEZNQCLSA-N 318.337 -0.211 30 20 DBED C#CCNC(=O)CC(=O)N[C@@]1(C)CCN(c2ncc(F)cn2)C1 1110741787 NMOFOWQJTXEPCR-HNNXBMFYSA-N 319.340 -0.160 30 20 DBED Cc1nsc(NCCN(CCO)C(=O)c2nc[nH]n2)c1C#N 1111496415 CZVLWCYJSBIMQL-UHFFFAOYSA-N 321.366 -0.012 30 20 DBED N#Cc1cccnc1NCCN(CCO)C(=O)C1(C(N)=O)CC1 1111557523 SRKWAINATHUERL-UHFFFAOYSA-N 317.349 -0.548 30 20 DBED CC(C)(O)CC(=O)NC[C@@H]1COCCN1c1cncc(C#N)n1 1111677965 PYZWHTBEMRIOGJ-GFCCVEGCSA-N 319.365 -0.169 30 20 DBED C[C@H]1C[C@@H](NC(=O)CC(N)=O)CCN1c1ccc(C#N)nn1 1112459257 GOMSHCDINHWZSQ-UWVGGRQHSA-N 302.338 -0.303 30 20 DBED CCOCC(=O)NC[C@H]1CN(c2ccc(C#N)nc2)C[C@@H]1O 1112692474 NYQYTPRFRLYKRK-FZMZJTMJSA-N 304.350 -0.097 30 20 DBED COCCCC(=O)NC[C@H]1CN(c2cnc(C#N)cn2)C[C@H]1O 1112704825 IMEXTYCEMQOMNQ-WCQYABFASA-N 319.365 -0.312 30 20 DBED C=CCOCCCC(=O)N1CCN([C@H]2CCC(=O)NC2=O)CC1 1112755669 LFJAAYHRMZVNRZ-ZDUSSCGKSA-N 323.393 -0.081 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)c2cncnc2)CC1 1112784037 NMDFDLSFOOVQOW-LBPRGKRZSA-N 301.350 -0.628 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)Cc2cnc[nH]2)CC1 1113385074 YBDRXDDLLCIGGG-LBPRGKRZSA-N 303.366 -0.766 30 20 DBED C[C@@H](CNC(=O)CCn1cncn1)N(C)c1cnc(C#N)cn1 1113492975 OSHFPSBAOWRVDE-NSHDSACASA-N 314.353 -0.029 30 20 DBED Cc1nc(N(C)[C@H](C)CNC(=O)CNC(N)=O)ccc1C#N 1113508112 DZYSNFDWMCKSEL-SECBINFHSA-N 304.354 -0.129 30 20 DBED CNC(=O)NCCC(=O)NC[C@@H](C)N(C)c1nccnc1C#N 1113597430 VQXUEILSTLRRNT-SNVBAGLBSA-N 319.369 -0.392 30 20 DBED C=CCNC(=O)NC(=O)CN1C[C@@H]2C(NC(=O)C(F)F)[C@H]2C1 1113752811 ORHIXOVIUPKUCX-YUMQZZPRSA-N 316.308 -0.690 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)c3cc[n+]([O-])cc3)[C@@H]2C1 1113806189 LQSQGGAJHHZCQB-ZIAGYGMSSA-N 301.346 -0.370 30 20 DBED C=CCNC(=O)NC(=O)CN1C[C@@H]2C(NC(=O)COCC)[C@H]2C1 1113823534 XKNQTIHVBDOIOA-QWRGUYRKSA-N 324.381 -0.919 30 20 DBED N#Cc1ccc(CN2C[C@@H]3C(NC(=O)CNC(N)=O)[C@H]3C2)cc1 1113849867 NPTYVFPHRUVLCQ-STQMWFEESA-N 313.361 -0.227 30 20 DBED Cc1cc(C#N)nc(N(C)[C@H](C)CNC(=O)[C@@H]2CNC(=O)N2)n1 1113868646 AGMDLKAZHLWHIO-KOLCDFICSA-N 317.353 -0.721 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)C[C@H]3COC(=O)C3)[C@@H]2C1 1114139565 QEJRISZKZDAPEV-IJLUTSLNSA-N 321.377 -0.712 30 20 DBED Cc1cn(C)nc1C(=O)NC1[C@H]2CN(CC(=O)NCC#N)C[C@H]12 1114246114 QARCXWMXFRRFJT-QWRGUYRKSA-N 316.365 -0.972 30 20 DBED COCCCNC(=O)CN1C[C@H]2[C@H](NC(=O)C#CC3CC3)[C@H]2C1 1114253018 GTBFQDUTWLJZFM-HALDLXJZSA-N 319.405 -0.401 30 20 DBED C#CCOCCC(=O)N[C@H]1[C@@H]2CN(Cc3nc(C)no3)C[C@@H]21 1114265707 HNTQDILIPHAZNO-JYAVWHMHSA-N 304.350 -0.036 30 20 DBED Cc1cc(C)c(C(=O)N[C@H]2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]32)[nH]1 1114466525 POHUXDALFWSZRM-JYAVWHMHSA-N 315.377 -0.069 30 20 DBED CC#CCN1C[C@H]2C(NC(=O)CNC(=O)c3cccnc3)[C@@H]2C1 1114861177 DEJMWSPVZZBEPA-ZIAGYGMSSA-N 312.373 -0.119 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3nc(C)c[nH]3)[C@H]2C1 1114946810 BEJNPBQDWHGVSS-QWRGUYRKSA-N 301.350 -0.872 30 20 DBED C=CCO[C@H](C)C(=O)NC1[C@@H]2CN(Cc3cnn(C)n3)C[C@@H]12 1115332235 LLYOWFZQROJCNF-RAIGVLPGSA-N 305.382 -0.047 30 20 DBED CC(C)[C@H](C#N)N1CCN(C(=O)CN2C(=O)CNC2=O)CC1 1116021497 PETRCUCRTKBNQK-NSHDSACASA-N 307.354 -0.769 30 20 DBED N#CC1CCN(C(=O)C(=O)Nc2cccc(C(N)=O)n2)CC1 1116508846 UYLBOYALBFLETK-UHFFFAOYSA-N 301.306 -0.119 30 20 DBED C#C[C@@H](NC(=O)C(=O)NCCCC(=O)N(C)C)[C@H]1CCCO1 1117117279 HNGUKNBGBXCEAG-VXGBXAGGSA-N 309.366 -0.732 30 20 DBED C#CC1CCN(C(=O)C(=O)N(CC)CCS(C)(=O)=O)CC1 1118186411 IJTLXRPDOATALZ-UHFFFAOYSA-N 314.407 -0.249 30 20 DBED C[C@@H](CN(C)C(=O)Cn1ncnn1)Nc1ccc(C#N)cn1 1120128883 SEEMOMAYZLTZJJ-JTQLQIEISA-N 300.326 -0.101 30 20 DBED N#Cc1nccnc1N[C@H](CO)CNC(=O)c1ccnc(O)c1 1121311148 PKCFGKPUEGHXIZ-JTQLQIEISA-N 314.305 -0.348 30 20 DBED Cn1nncc1C(=O)NC[C@@H](CO)Nc1ncc(C#N)cc1F 1121387863 VUPUSJYHGBTNJR-VIFPVBQESA-N 319.300 -0.576 30 20 DBED Cn1ncc(C(=O)NC[C@@H](CO)Nc2ccc(C#N)cn2)n1 1121770572 LXBFGBFUGOJHQZ-JTQLQIEISA-N 301.310 -0.715 30 20 DBED Cc1nc[nH]c1CC(=O)NC[C@@H](CO)Nc1cnc(C#N)cn1 1121854501 NONDPBHXMGXXNK-NSHDSACASA-N 315.337 -0.489 30 20 DBED N#Cc1c(F)cccc1N[C@@H](CO)CNC(=O)[C@H]1CNC(=O)N1 1122435750 BGEBDSPFCSQYPE-PRHODGIISA-N 321.312 -0.732 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)COCC1CC1 1124106988 WWSFHKDJTUGTON-LBPRGKRZSA-N 319.365 -0.572 30 20 DBED CO[C@H](C(=O)N(C)C[C@H](O)CN=c1cc[nH]c(C#N)n1)C(C)C 1124729215 XXXCUOLYSPIYGS-RISCZKNCSA-N 321.381 -0.328 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)COc1cc(C)on1 1129915233 GMZDAEZVQXKLKT-NSHDSACASA-N 308.338 -0.794 30 20 DBED C#CCCN[C@@H]1CN(C(=O)CN(C)CCC)C[C@@H]1n1ccnn1 1130107001 CUECAOIOWYAAHE-CABCVRRESA-N 318.425 -0.015 30 20 DBED C=CCOCC(=O)N1C[C@H]2C[C@@H]3CN(C[C@@H](C)O)C[C@]2(C1)O3 1131213475 FTGJSNUOBXYVLP-IXYNUQLISA-N 310.394 -0.129 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)CCCC(=O)NC)CC1 1131357366 RYRJRIBKPZFZNC-UHFFFAOYSA-N 324.425 -0.261 30 20 DBED C=C(C)CN1C[C@H](NC(=O)CNS(=O)(=O)NC)CC[C@@H]1C 1132201101 WSVZIFAHHMKVFY-NWDGAFQWSA-N 318.443 -0.415 30 20 DBED C=CCn1cc(C(=O)NCCNCC(=O)N(C)C(C)C)nn1 1134969009 ASNIIGJTROYMOF-UHFFFAOYSA-N 308.386 -0.350 30 20 DBED C=CCn1cc(C(=O)NCCNCC(=O)Nc2ccon2)nn1 1134973591 YHIPMGVHTSJLRJ-UHFFFAOYSA-N 319.325 -0.590 30 20 DBED Cc1nccn1CC(=O)N[C@H](C)C[C@H](C)NCC(=O)NCC#N 1146334685 ZOVGXEZLIYDEDP-NWDGAFQWSA-N 320.397 -0.296 30 20 DBED C#CCNC(=O)CC(=O)N1CC2(CCN(C[C@H]3CCOC3)C2)C1 1147369007 QYVYVXYVDQCTDA-CQSZACIVSA-N 319.405 -0.303 30 20 DBED C#CCO[C@H](C)C(=O)N1CC2(CCN(CC(=O)NCC=C)C2)C1 1147530112 GIHPASMSTMCYKS-CQSZACIVSA-N 319.405 -0.139 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)C1(COC)CC1)C2 1147899366 UOFNCSAOQBROIT-UHFFFAOYSA-N 319.405 -0.303 30 20 DBED N#CCNC(=O)CN1CCC2(C1)CN(C(=O)C1(CF)CC1)C2 1148270766 DGMPTGHRXGYEPF-UHFFFAOYSA-N 308.357 -0.090 30 20 DBED N#CCNC(=O)CN1CCCO[C@@H](CNC(=O)c2ccco2)C1 1149058238 HURLLUNPZMULEO-LBPRGKRZSA-N 320.349 -0.260 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cnn(CC(C)C)c1C 1149338766 KCSWPMHCPAZYEC-UHFFFAOYSA-N 319.409 -0.084 30 20 DBED C=C(Cl)CNCCNC(=O)CCCN1C(=O)CNC1=O 1150533160 SAFYQXIVYUESTK-UHFFFAOYSA-N 302.762 -0.223 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)CNC(=O)[C@@H](C)CC)C1 1150732064 XVWOVUZZIQTWEV-KBPBESRZSA-N 309.410 -0.011 30 20 DBED C#CCN1CCC(CCOC)(NC(=O)[C@H](C)NC(N)=O)CC1 1151091193 REBDHWMHNLNAKN-LBPRGKRZSA-N 310.398 -0.336 30 20 DBED COCCC1(NC(=O)Cn2nccn2)CCN(CC#N)CC1 1151148893 BZODIHYAVRLYGQ-UHFFFAOYSA-N 306.370 -0.211 30 20 DBED N#Cc1c[nH]c(C(=O)NCCCNCC(=O)N2CCOCC2)c1 1156282034 KKFJFONNOJCVGM-UHFFFAOYSA-N 319.365 -0.545 30 20 DBED C=CCN1CCC(CNC(=O)CNC(=O)NC)(COC)CC1 1162296360 SFIJTRQIEFLYGF-UHFFFAOYSA-N 312.414 -0.054 30 20 DBED C#CCNCCN(CCc1ccccc1)C(=O)[C@H]1CNC(=O)N1 1162911181 FTJHAUDLEMGKCA-OAHLLOKOSA-N 314.389 -0.038 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)[C@]1(C)CCNC1=O 1166546079 WEQDMNFMMFXVMA-ABAIWWIYSA-N 310.398 -0.701 30 20 DBED C#CCOc1ncccc1C(=O)NCCCN[C@@H](C)C(N)=O 1171548608 AFJFBIQARFRSCS-NSHDSACASA-N 304.350 -0.323 30 20 DBED N#CCNC(=O)CNCCCNC(=O)c1cn2ccccc2n1 1175264100 IRJONXNJZXQCDI-UHFFFAOYSA-N 314.349 -0.316 30 20 DBED Cc1n[nH]c(C)c1CC(=O)NCCCNCC(=O)NCC#N 1175882225 GXKTUEJCJHSTGP-UHFFFAOYSA-N 306.370 -0.695 30 20 DBED C#CCN1CCC(C(=O)NCCCNCCOCCO)CC1 1176926819 WJWTXQWXXMSAAY-UHFFFAOYSA-N 311.426 -0.564 30 20 DBED CC#CCNCCCNC(=O)CCCCCS(N)(=O)=O 1177647821 LGBYUBVXIRJIDE-UHFFFAOYSA-N 303.428 -0.046 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)C[C@H]2CCCCO2)C1 1181945131 ZZCGOYNRNFWASK-ZIAGYGMSSA-N 307.394 -0.115 30 20 DBED C#CCNC[C@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C[C@H]1C 1184422571 IHMJTCWKLSGWBJ-VXGBXAGGSA-N 318.381 -0.916 30 20 DBED N#CCNC(=O)CN[C@@H]1CCN(C(=O)CC2=CCOCC2)C1 1185468080 CAFBXJLJSXUAIZ-CYBMUJFWSA-N 306.366 -0.447 30 20 DBED CO[C@@H](C(=O)N1CC[C@@H](N(C)CC(=O)NCC#N)C1)C(C)C 1192162818 RRKZWFUIDSQLHQ-TZMCWYRMSA-N 310.398 -0.170 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(Cc2nnnn2C2CC2)C[C@H]1O 1192504001 SUWOXKBYLWPIKG-CHWSQXEVSA-N 318.381 -0.527 30 20 DBED CCn1nnc(C)c1CN1C[C@@H](O)[C@H](NC(=O)C#CC(C)C)C1 1192751735 IKZSHEHFINTNGR-UKRRQHHQSA-N 319.409 -0.073 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2ccccn2)C[C@H]1O 1192843902 AGSOWEXBQNHBPQ-NWANDNLSSA-N 303.362 -0.219 30 20 DBED CN(CC(=O)NCC#N)[C@@H]1CCN(C(=O)Cc2ncc[nH]2)C1 1193048372 PRRREEMQRIMVDF-LLVKDONJSA-N 304.354 -0.875 30 20 DBED C=CCN(C)[C@H]1CCN(C(=O)CCS(=O)(=O)N(C)C)C1 1194210303 ZFEPHSDNSASTPZ-LBPRGKRZSA-N 303.428 -0.013 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCCN(Cc2nc(O)n[nH]2)CC1 1195791715 JQQMPLXZJPDGFZ-NSHDSACASA-N 307.354 -0.417 30 20 DBED CCC[C@@H](C(=O)N1CCCN(CC#N)CC1)S(N)(=O)=O 1196648978 NZAYGLIOCVTVLR-NSHDSACASA-N 302.400 -0.499 30 20 DBED N#CCNC(=O)CN1CCCN(C(=O)c2ccnnc2)CC1 1197245085 MAPUJHBIOYDCQC-UHFFFAOYSA-N 302.338 -0.736 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)c2nocc2C)C1 1197502361 IYVTYAVBUMBVEN-IJLUTSLNSA-N 322.365 -0.551 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)CNC(=O)c2ccco2)C1 1198352114 BUQRPZLVYDENBD-VXGBXAGGSA-N 307.350 -0.253 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)CNC(=O)Cc2ccccc2)C1 1198399628 AUCPECPPYIEDEI-ZIAGYGMSSA-N 316.361 -0.970 30 20 DBED C[C@@H](C#N)C(=O)N1CCCO[C@@H](CNCCNC(=O)C2CC2)C1 1200116503 XKBNXPVEWPIFQH-JSGCOSHPSA-N 322.409 -0.121 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)CCn2ccnn2)CC1 1200230981 IYDPCHDOFGSXON-UHFFFAOYSA-N 320.397 -0.449 30 20 DBED C#CCNC(=O)CN[C@@H]1C[C@H](NC(=O)c2ncc[nH]2)C12CCC2 1202856777 MNGCTOMRHQQQGE-NEPJUHHUSA-N 315.377 -0.210 30 20 DBED C[C@@H]1CN(CCS(C)(=O)=O)C[C@H]1NC(=O)CSCC#N 1206090210 MMXVRLXXMCQYID-GHMZBOCLSA-N 319.452 -0.276 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)/C=C/C2CC2)[C@H](OC)C1 1212086946 KZFYICSEHRLAQF-JLVOYYQZSA-N 305.378 -0.483 30 20 DBED C#CCCCC(=O)N[C@@H]1CN([C@@H]2CCCNC2=O)C[C@H]1OC 1212187287 OLPYQLQAUJDILB-MGPQQGTHSA-N 307.394 -0.116 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)[C@H](C)Cc2cnc[nH]2)C1 1220518928 SKARXGRFNHQVMH-YUELXQCFSA-N 322.409 -0.048 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)CS(=O)(=O)NC(C)(C)C)C1 1220997824 CEIQUAYXXOZTKZ-MNOVXSKESA-N 319.427 -0.948 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2nccn2C)C[C@@H]1O 1221140760 BOVSMRIGTDWLHX-UPJWGTAASA-N 308.382 -0.328 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(CCn2cncn2)C[C@@H]1O 1221145853 NIIOERHLNDVGQC-UPJWGTAASA-N 309.370 -0.970 30 20 DBED CC#CCN1CCC(CNC(=O)CCS(=O)(=O)NC)CC1 1223174792 MQQOYCMXCXCCQA-UHFFFAOYSA-N 315.439 -0.223 30 20 DBED C#CCCN1CCC(CNC(=O)CN2CCOCC2=O)CC1 1223480113 KZRRDDQBCXZRTB-UHFFFAOYSA-N 307.394 -0.303 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)[C@@H]2CCCN2C)CC1 1226553921 GTISPGMPPXYRCB-AWEZNQCLSA-N 306.410 -0.589 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)c2[nH]c(O)nc2C)CC1 1227899604 GLYNXMKUGHJBPY-UHFFFAOYSA-N 319.365 -0.633 30 20 DBED COc1nc(C(=O)NC2CCN(CC(=O)NCC#N)CC2)co1 1228466088 FHEKEIWEICPCLD-UHFFFAOYSA-N 321.337 -0.483 30 20 DBED C#CCN[C@@H]1CCCC[C@H]1NC(=O)[C@@H](CCC(N)=O)NC(C)=O 1229150580 KKBZNJMAFTWQGF-MGPQQGTHSA-N 322.409 -0.593 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC(NC(=O)c2ccn(C)n2)CC1 1230267835 NMXAKKNUCGYBCA-LBPRGKRZSA-N 317.393 -0.248 30 20 DBED C#CCN1CCS(=O)(=O)[C@H](CCNC(=O)Cc2ccc[nH]2)C1 1230521563 UJKZKYHOTKUHLN-CQSZACIVSA-N 323.418 -0.204 30 20 DBED C#CCNC(=O)CN(C)CCCNC(=O)c1snnc1C 1233818225 CYPCSXQJHYMDTO-UHFFFAOYSA-N 309.395 -0.352 30 20 DBED CN(C[C@H]1CCN1CC(=O)NCC#N)C(=O)[C@@H]1CCCOCC1 1233926636 PYRQHLJXSWFKQA-ZIAGYGMSSA-N 322.409 -0.024 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)c1nn(C)cc1C 1234142995 XRCBIBVUKRKKJZ-CYBMUJFWSA-N 317.393 -0.376 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)CO[C@H]1CCOC1 1318910788 PSPUZQGKAUQOMD-UWVGGRQHSA-N 300.311 -0.265 30 20 DBED C[C@@H](C(=O)n1ncc(C#N)c1N)S(=O)(=O)C1CCOCC1 1319232515 WZBMURDITBGWDL-QMMMGPOBSA-N 312.351 -0.041 30 20 DBED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(C(N)=O)cc1F 1320107427 OVSSLQUUVPJJSP-UHFFFAOYSA-N 322.296 -0.719 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@H]1CC=CCC1 1323750340 YFJCNPMFPALAEZ-NSHDSACASA-N 300.380 -0.072 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)NC[C@@H]1CC(=O)N(C2CC2)C1 1324534733 IJSJTAPFLZDFID-QWRGUYRKSA-N 309.366 -0.569 30 20 DBED N#Cc1ccc(NC(=O)C(=O)NC[C@@]2(O)CCSC2)nc1 1324951025 FQJKNYVZHPKSEO-ZDUSSCGKSA-N 306.347 -0.124 30 20 DBED CC#CCCNC(=O)C(=O)N[C@H]1CCOC[C@@H]1OCCOC 1327051150 HLVRYHRDYIRBHH-STQMWFEESA-N 312.366 -0.547 30 20 DBED C#CCOCCNC(=O)C(=O)NC[C@@H](C)C(=O)OC(C)(C)C 1327740842 IKZRAHNKFIQKOD-LLVKDONJSA-N 312.366 -0.154 30 20 DBED CN1C(=O)CC[C@H](NC(=O)C(=O)N2CCC[C@H](CC#N)C2)C1=O 1328207991 BUGNYKYESKOJLB-MNOVXSKESA-N 320.349 -0.598 30 20 DBED Cc1cccc(CCNC(=O)C(=O)N2CC[C@](O)(CC#N)C2)n1 1328280356 UZVWBWLHEDKYGI-MRXNPFEDSA-N 316.361 -0.074 30 20 DBED CC[C@H](NC(=O)C(=O)N1CC[C@@](O)(CC#N)C1)[C@@H]1CCCO1 1329351059 MYPVNRRVEOWRAY-HUBLWGQQSA-N 309.366 -0.063 30 20 DBED C#CCNC(=O)CCN[C@@H]1CCc2c(nc(C)n2CCO)C1 1329433996 USIPHLLGXGGXGN-CYBMUJFWSA-N 304.394 -0.230 30 20 DBED C#CCNC(=O)C1CCN(C(=O)C(=O)N2CC[C@@H](CF)C2)CC1 1335575428 MDYRPBWVZJVAEK-LBPRGKRZSA-N 323.368 -0.208 30 20 DBED C=CCn1c([C@H]2CC(=O)N(C)C2)nnc1N1CCCNC(=O)C1 1338789368 PTWHIQVRGAOGSV-NSHDSACASA-N 318.381 -0.264 30 20 DBED COCCNC(=O)[C@@H](C#N)C(=O)/C=C\c1ccc(C(N)=O)o1 1342630552 FEUVCSDYWDFZCD-GQPNGRKGSA-N 305.290 -0.137 30 20 DBED CNC(=O)CCCN(C)C(=O)C(=O)Nc1cccc(C#N)n1 1345813563 WMVUGJHJZADVMW-UHFFFAOYSA-N 303.322 -0.124 30 20 DBED CN(C)CC1CCN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)CC1 1345991678 VLMPGCIDEKXUHA-INIZCTEOSA-N 322.409 -0.336 30 20 DBED COCCN(CC(F)F)C(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1349335687 HNXKUFWZDIXKEY-ZDUSSCGKSA-N 319.308 -0.396 30 20 DBED CN(C(=O)CCn1cc(C#N)c(O)nc1=O)c1nccn1C 1362478580 BANMQSREJBMMPD-UHFFFAOYSA-N 302.294 -0.393 30 20 DBED CN1CCC(C(=O)NCCn2cc(C#N)c(O)nc2=O)CC1 1363285689 HIRUAPKRYPJWSF-UHFFFAOYSA-N 305.338 -0.721 30 20 DBED CCc1nccn1CCNC(=O)Cn1cc(C#N)c(O)nc1=O 1363568039 BNUFFSKSUQOWIL-UHFFFAOYSA-N 316.321 -0.604 30 20 DBED COC(=O)NCC(=O)N1CCC[C@@H](N(C)C(=O)[C@H](C)C#N)C1 1373205174 LZSSASVTDCVWCG-GHMZBOCLSA-N 310.354 -0.049 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H]1CNC(=O)CCn1ccnn1 1374001540 ILYRPUCPQATOAZ-NWDGAFQWSA-N 304.354 -0.065 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNCc1ccc2nonc2c1 1379182827 GJJRNDIPXKEQKC-MWLCHTKSSA-N 303.322 -0.051 30 20 DBED CCC(=O)NCC(=O)NCCN(CC)C(=O)c1ccc(C#N)[nH]1 1388211653 BIWSCYYRKZOJQS-UHFFFAOYSA-N 319.365 -0.009 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CC[C@H](NC(=O)Cn2cnnn2)CC1 1390956478 MRGGCZUZBNPGBK-GMTAPVOTSA-N 305.342 -0.624 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(CC(=O)N2CCCC[C@H]2C)C1 1393305093 QXNGXKQAMJEOKD-QWHCGFSZSA-N 322.409 -0.290 30 20 DBED COC[C@H](OC)C(=O)N(C)CCNC(=O)c1cc(C#N)c[nH]1 1397895289 VVWMZLVHKYPKLO-LBPRGKRZSA-N 308.338 -0.264 30 20 DBED CCN(C)C(=O)[C@H](C)NC(=O)CCn1cc(C#N)c(O)nc1=O 1412091711 AWDUYFXFXLMDGN-VIFPVBQESA-N 321.337 -0.806 30 20 DBED CC(C)[C@H](NS(C)(=O)=O)C(=O)NCC1(C#N)CCOCC1 1412789926 WVDDBKLHQABEBF-NSHDSACASA-N 317.411 -0.003 30 20 DBED CO[C@H](C1CC1)[C@@H](C)NS(=O)(=O)N1CCO[C@H](C#N)C1 1413342378 PVCOXQSCWJBQKR-JLLWLGSASA-N 303.384 -0.141 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(CC(=O)NCC(C)(C)C)C1 1421417334 JZGJOPKSDPGUNE-LLVKDONJSA-N 310.398 -0.529 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CN(C)C(=O)Cc1cccnc1 1425793981 YSNRGDZOSWDLJD-WCQYABFASA-N 304.350 -0.281 30 20 DBED C[C@H](C#N)C(=O)N1CC(CNC(=O)COC[C@H]2CCCO2)C1 1430391250 QMCBVNRBSOPEJA-DGCLKSJQSA-N 309.366 -0.084 30 20 DBED N#Cc1cn(CC(=O)N2CCOC[C@H]2C2CC2)c(=O)nc1O 1433881883 OPPLYPWPMSRBCN-NSHDSACASA-N 304.306 -0.542 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)c2nc3ncccn3n2)CC1 1433962412 FDSFQOVXLWIHSC-SECBINFHSA-N 313.321 -0.337 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)COc2cccnc2)C1 1445667664 MSLNGKFTQPMNLZ-RTXFEEFZSA-N 318.333 -0.692 30 20 DBED N#CCc1ccccc1S(=O)(=O)NC[C@H](O)Cn1ccnn1 1475371584 ACIUSOJGWWWUBT-LBPRGKRZSA-N 321.362 -0.316 30 20 DBED Cc1noc(CNCC2(O)CCN(C(=O)[C@@H](C)C#N)CC2)n1 1502858891 UUVKRCIJRIZGQF-JTQLQIEISA-N 307.354 -0.019 30 20 DBED C#CCNC(=O)CN(C)C[C@@H]1CCCN1C(=O)[C@@H](CC)N(C)C 1505456383 TVJAGLPOAJDPCZ-LSDHHAIUSA-N 322.453 -0.001 30 20 DBED C#CCN1CCC(C(=O)N[C@H](CC2CNC2)C(=O)OCC)CC1 1574673583 OGFVRXRYBVIIKD-OAHLLOKOSA-N 321.421 -0.011 30 20 DBED C#CC1(O)CN(C(=O)[C@H](C)Oc2ccccc2-c2nn[nH]n2)C1 1588333587 XXSXJBLBFKVWPI-JTQLQIEISA-N 313.317 -0.160 30 20 DBED C[C@H](CNC(=O)[C@H](C)C#N)Nc1ccc(-c2nn[nH]n2)nn1 1589850001 YDTCZVQTEZDQGO-HTQZYQBOSA-N 301.314 -0.267 30 20 DBED C=CCOC[C@@H](NC(=O)/C=C1\SCC(=O)N1C)C(=O)O 1602909815 IFAUGBFKEUBNNR-SOUAVXJDSA-N 300.336 -0.195 30 20 DBED CC(C)C[C@H](CNC(=O)Cn1cc(C#N)c(O)nc1=O)C(=O)O 1603009019 OUZGSKNCTPAIQH-SECBINFHSA-N 322.321 -0.316 30 20 DBED O=C(N[C@@H]1CCCN(O)C1=O)c1ccc(-c2nn[nH]n2)cn1 1606662167 AHYBSIKBSMYSNC-SECBINFHSA-N 303.282 -0.628 30 20 DBED N#Cc1cc(C(=O)N2CC(CNC(=O)[C@@H]3C[C@H]3C(=O)O)C2)c[nH]1 1608194114 QCYWZTDQGJPKJL-VXGBXAGGSA-N 316.317 -0.205 30 20 DBED CN(CC(N)=O)C(=O)[C@@H](C#N)Cc1ccc(-c2nn[nH]n2)cc1 1609272851 DGBCZPQZVSWAFM-LLVKDONJSA-N 313.321 -0.507 30 20 DBED COCCn1c(CC(C)(C)O)nnc1N1CCO[C@@H](C#N)C1 1646800846 RSHBDRKJRIOQHK-NSHDSACASA-N 309.370 -0.033 30 20 DBED COCC#CCN[C@H](CNC(=O)[C@H]1CCN(C)C(=O)C1)C1CC1 1752470549 HDDPYSFFMLPXCV-LSDHHAIUSA-N 321.421 -0.011 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1C[C@H](NC(=O)c2coc(OC)n2)C1 1752653279 XODJAPSQRGPCAA-DCAQKATOSA-N 320.349 -0.329 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@H](NC(=O)[C@H](NC(C)=O)C(C)C)C1 1752679643 BBMUKKZJZGWPOF-UMVBOHGHSA-N 322.409 -0.867 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@H](C)NCc1cnnn1C 1752877994 FQGKXHFUIWZXHX-OCCSQVGLSA-N 304.398 -0.493 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@@H]1CCN(C(=O)Cn2ccnc2)C1 1752962063 BJCZOBRBFCGTAR-KBPBESRZSA-N 317.393 -0.541 30 20 DBED CC#CCCCC(=O)NC1CN(C[C@H](O)CN2CCCC2=O)C1 1753385071 HTDPARREILFXIG-HNNXBMFYSA-N 321.421 -0.036 30 20 DBED COCC#CCN1CC(NC(=O)[C@]2(C)CCN(C(C)=O)C2)C1 1753391121 IPTARRYKMUUDIY-MRXNPFEDSA-N 307.394 -0.305 30 20 DBED C#CCNC(=O)CN1CC(CNC(=O)CCc2nccn2C)C1 1753407045 SPYZEHXMKJIFSD-UHFFFAOYSA-N 317.393 -0.850 30 20 DBED C#CCCNC1(CNC(=O)CCS(=O)(=O)NC)CCCC1 1753664172 QNSIJEZUZRNYCU-UHFFFAOYSA-N 315.439 -0.032 30 20 DBED C#CCNC(=O)CNC[C@@H](CC(C)C)NC(=O)[C@@H]1[C@H]2COC[C@H]21 1753739018 UVWLUIZVKSRGJK-NYTXWWLZSA-N 321.421 -0.251 30 20 DBED Cc1nc(CC(=O)NC[C@H](NCC(=O)NCC#N)C(C)C)n[nH]1 1753829650 PXGIFTNOUSGJOZ-NSHDSACASA-N 321.385 -0.974 30 20 DBED N#CCNC(=O)CNC[C@@H](O)CNC(=O)C1(C(F)F)CCC1 1753925451 LRANOKRKOVJEGN-SECBINFHSA-N 318.324 -0.872 30 20 DBED C#CCNC(=O)CNC[C@@H](O)CNC(=O)c1ncoc1C(C)C 1753934345 VLQCQIICTKCGEN-LLVKDONJSA-N 322.365 -0.772 30 20 DBED C#CCNC(=O)[C@@H](C)NCCN(CC)C(=O)Cc1cc[nH]n1 1754038495 FYTLNWJWBBJZBG-GFCCVEGCSA-N 305.382 -0.472 30 20 DBED C=CCNC(=O)[C@H](C)NCCCN(C)C(=O)[C@@H]1COC(=O)N1 1754368575 LVNKHUCZMSHBFZ-QWRGUYRKSA-N 312.370 -0.776 30 20 DBED Cc1ccnc(C(=O)NC[C@@H]2CCN2CC(=O)NCC#N)n1 1754480176 CDBAIIVOFLQWBZ-NSHDSACASA-N 302.338 -0.771 30 20 DBED C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCN2CC(=O)NCC#N)CCN1C 1754491407 IVKSEEIXOLPQOV-IHRRRGAJSA-N 321.425 -0.453 30 20 DBED C=CCNC(=O)[C@H](C)NC1(CNC(=O)[C@@H]2CCNC(=O)C2)CC1 1754510468 KTTNJYUWVSMAOU-NWDGAFQWSA-N 322.409 -0.558 30 20 DBED C#CCNC(=O)[C@H](C)N1CC(N(C)C(=O)c2ccn(CC)n2)C1 1754582990 JMCSMONEMVHLKV-LBPRGKRZSA-N 317.393 -0.203 30 20 DBED C#CCOCCC(=O)N1CC[C@@](C)(CN[C@H](C)C(=O)NC)C1 1754694580 GQCZQXIHSVPSTC-CJNGLKHVSA-N 309.410 -0.011 30 20 DBED C#CCCCC(=O)N[C@@]1(CO)CCCN(CC(=O)N(C)C)C1 1754854150 NLGQSHBEULXSMA-INIZCTEOSA-N 309.410 -0.179 30 20 DBED CC1(NCC(=O)NCC#N)CCN(C(=O)c2ncc[nH]2)CC1 1755127793 UILUNNDVKCUGRN-UHFFFAOYSA-N 304.354 -0.366 30 20 DBED CC#CCN1CCC(CO)(NC(=O)CN(C)C(=O)C2CC2)CC1 1755177922 IDQZVRRLBNIIRM-UHFFFAOYSA-N 321.421 -0.179 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@@H](C)CNC(=O)c1cncnc1O 1755305247 LXMCTIJLOPYJOS-QWRGUYRKSA-N 319.365 -0.630 30 20 DBED C#CCNC(=O)CN[C@@H](C)CN(C)C(=O)c1c[nH]nc1CC 1755593598 BEWCRLVDRXAUNB-NSHDSACASA-N 305.382 -0.228 30 20 DBED Cn1cc(-c2ccc(C(=O)NC[C@@H](CO)NCC#N)o2)cn1 1755643886 SPTWBJYGWHPQQM-NSHDSACASA-N 303.322 -0.116 30 20 DBED CC#CCN1CCC[C@@H](NC(=O)CNC(=O)CNC(C)=O)[C@H]1C 1755715594 AYPHONAVPUVVQC-TZMCWYRMSA-N 322.409 -0.769 30 20 DBED CC(C)C#CC(=O)N(C)C[C@H](O)CNC[C@@H](O)Cn1cccn1 1755776549 AROYWBGISWMDNS-HUUCEWRRSA-N 322.409 -0.688 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H](C)N(C)C(=O)C1(NC(N)=O)CC1 1756027781 VDUQUAJCVZDEDV-WDEREUQCSA-N 324.381 -0.811 30 20 DBED C#CCOCCC(=O)NC[C@@H](C)N(C)C(=O)[C@H](C)n1cncn1 1756028098 XYGQLFMGZSSFDA-OLZOCXBDSA-N 321.381 -0.158 30 20 DBED CCc1oncc1C(=O)NC[C@H](CO)NC(=O)C#CC1CC1 1756522952 QBPIMUFNDGWCOY-LLVKDONJSA-N 305.334 -0.143 30 20 DBED CC#CCCCC(=O)N[C@H]1C[C@@H](CNC(=O)Cn2ncnn2)C1 1757319705 RUHSXJZVRFFNJX-BETUJISGSA-N 318.381 -0.122 30 20 DBED C=CCCOCC(=O)N1CC[C@H](NC(=O)CC(N)=O)[C@H]1CC 1757437273 KXMIUATWVYPJNR-NWDGAFQWSA-N 311.382 -0.050 30 20 DBED COCCOCC(=O)N[C@H]1CCN(C(=O)C#CC2CC2)C[C@H]1O 1757564139 RJXBUSIRAWHHIF-UONOGXRCSA-N 324.377 -0.859 30 20 DBED C=CCC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)NC=O)C2)C1 1781254840 MIVUVBPEUBLUFE-SWLSCSKDSA-N 309.366 -0.473 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](N)[C@@H](C)CC)CCO2 1783049786 SNSIBXQHLVBTDO-BJJXKVORSA-N 307.394 -0.177 30 20 DBED N#CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cnc[nH]1)C2 1795081209 VJFYGIBGCWRLDA-QHBPRCKVSA-N 317.349 -0.545 30 20 DBED Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CC#N)C3)n[nH]1 1798646393 HJZPCVZKHXSMCR-GNXNZQSNSA-N 317.349 -0.165 30 20 DBED CCC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CC#N)C3)COC1 1800384238 NIZRMDBWEZYZIN-DABQJJPHSA-N 321.377 -0.084 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)[C@H](C)CN)C1 1842866577 GQNZWSLWPDDKCM-OLZOCXBDSA-N 307.394 -0.177 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N[C@@H]1CCc2nc(C)nn2C1 105934483 LPJFIUMZQKIJLH-MWLCHTKSSA-N 306.370 -0.109 30 20 DBED CN(C)C(=O)Cn1cc(C(=O)Nc2cnn(CC#N)c2)nn1 139256388 FHDDACGHDBUTNL-UHFFFAOYSA-N 302.298 -0.661 30 20 DBED N#Cc1ccc(CN2CCN3C(=O)C(=O)NC[C@@H]3C2)c(F)c1 177105176 KEMKXVXBYZMCGQ-GFCCVEGCSA-N 302.309 -0.160 30 20 DBED CNS(=O)(=O)c1csc(C(=O)n2ncc(C#N)c2N)c1 178156710 WYSIKQWUYQUQPG-UHFFFAOYSA-N 311.348 -0.005 30 20 DBED CC(C)[C@@H](C#N)NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 264731146 HZKAWDKXBTXZTP-SECBINFHSA-N 318.337 -0.902 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCN(C(=O)C(=O)NC(C)C)CC1 278512012 AQURGFVHNDXNDS-HNNXBMFYSA-N 311.382 -0.491 30 20 DBED CCOC(=O)CO/N=C(/C(=O)N1CC(OCC)C1)c1cc[nH]n1 294640593 DASLIHSKFMRIFQ-GHRIWEEISA-N 324.337 -0.059 30 20 DBED C#CCN(C)C(=O)[C@H]1CC(=O)N(c2cnn(CCOC)c2)C1 295467572 QOEFZHXKOBMKMI-LBPRGKRZSA-N 304.350 -0.026 30 20 DBED C[C@H](/C(O)=N/C1CC1)N1CCN(C(=O)[C@H]2COCCN2C)CC1 328942071 IJUCVTSGDFVVIZ-TZMCWYRMSA-N 324.425 -0.031 30 20 DBED Cc1nc2n(n1)C[C@H](/N=C(/O)N1CCN(C[C@H](C)O)CC1)CC2 329464984 VGMWSTOVIIAXPZ-WCQYABFASA-N 322.413 -0.186 30 20 DBED CC/N=C(/O)N1CCN(C(=O)[C@@H]2CCc3nncn3C2)CC1 330351159 LXIPMZKHSJODLK-LLVKDONJSA-N 306.370 -0.081 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1CC[C@H]([C@@H](C)O)C1 330369365 BPYWUZSVDFTBLQ-NEPJUHHUSA-N 305.400 -0.204 30 20 DBED CN1CCO[C@@H](C/N=C(/O)c2coc(S(N)(=O)=O)c2)C1 330484261 XCKAEKOMRDYPBA-VIFPVBQESA-N 303.340 -0.438 30 20 DBED CC(C)N1CC[C@@H](N/C(O)=N/CC(=O)N2CCOCC2)C1=O 330693543 YKXYBMFOALUEJE-LLVKDONJSA-N 312.370 -0.642 30 20 DBED C[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc(C#N)o1 344516186 PBEVYLOAEKZQDR-QMMMGPOBSA-N 304.349 -0.041 30 20 DBED N#Cc1ncn(CCNS(=O)(=O)c2cn3c(n2)CCCC3)n1 375660374 MPPNFGGZXITISX-UHFFFAOYSA-N 321.366 -0.339 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N[C@@H](CN)CCCC)nn1 424546720 NOWZPWHIKOAVLT-LLVKDONJSA-N 308.386 -0.286 30 20 DBED C=CCCn1cc(C(=O)Nc2n[nH]c(CC(=O)OC)n2)nn1 424669048 CARSHMPNEZLXFC-UHFFFAOYSA-N 305.298 -0.060 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N[C@H]1CCC(=O)N(C)C1=O 425224686 ONSBJCUUMFGCLZ-IUCAKERBSA-N 302.356 -0.798 30 20 DBED CCS(=O)(=O)NCCNC(=O)Nc1ccn(CCC#N)n1 438327232 LKEIGDQTWZAFHX-UHFFFAOYSA-N 314.371 -0.142 30 20 DBED C#C[C@H](CC)NC(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1 491709749 XEUMVSFFEXVXOK-MRVPVSSYSA-N 313.335 -0.815 30 20 DBED C[C@@H](C#N)CNC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C 517685931 BHYTZMCPLBMEDW-QMMMGPOBSA-N 301.306 -0.478 30 20 DBED C[C@](O)(CNC(=O)c1ccc(C#N)cn1)CN1CCOCC1 530886715 ANNDNAKJQHGYSH-HNNXBMFYSA-N 304.350 -0.234 30 20 DBED CS(=O)(=O)N1CC[C@@H](NC(=O)N2CCC(C#N)CC2)C1 571214756 BVXPJVIVDRBHPY-LLVKDONJSA-N 300.384 -0.035 30 20 DBED CN(CCC#N)S(=O)(=O)N1C[C@@H](CN)C2(CCOCC2)C1 571880875 JJUXPBNOXHMLKM-GFCCVEGCSA-N 316.427 -0.236 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N(C)[C@H](COC)C(=O)O 582364108 VIKDLIIGOHPMGI-NXEZZACHSA-N 307.372 -0.256 30 20 DBED C[C@@H]1CC[C@H](C(=O)O)N1S(=O)(=O)N1CCO[C@@H](C#N)C1 593222833 WQYHPJINOSMMIC-KXUCPTDWSA-N 303.340 -0.607 30 20 DBED CS(=O)(=O)N1CCC[C@@H](NC(=O)[C@H](N)CCCCC#N)C1 594431069 GWPZSPKMOGUTMQ-VXGBXAGGSA-N 316.427 -0.062 30 20 DBED CN(CCOCCN)C(=O)C(=O)N(C)Cc1ccc(C#N)cc1 600796024 DOWWYWLXMADPPU-UHFFFAOYSA-N 318.377 -0.050 30 20 DBED CC[C@H]1CN(C)CCCN1c1c(C#N)c(=O)n(C)c(=O)n1C 601191074 GWHATBGLMMVEEO-NSHDSACASA-N 305.382 -0.124 30 20 DBED N#Cc1ncn(CC(=O)N2CSC[C@H]2C(=O)NCC2CC2)n1 610882935 AHFQNPGHDHAQLH-JTQLQIEISA-N 320.378 -0.423 30 20 DBED C=C[C@H](C(=O)OC)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 619717568 RNJJFWPDKKGALQ-LLVKDONJSA-N 323.349 -0.993 30 20 DBED COC(=O)CN(CC#N)S(=O)(=O)c1ccc(C(=O)O)o1 737606115 VCNGFCRJTCWUQN-UHFFFAOYSA-N 302.264 -0.335 30 20 DBED C#CCNC(=O)[C@@H](C)OC(=O)Cn1cc([N+](=O)[O-])ccc1=O 748909837 CAFRBKCNZDIOBJ-SECBINFHSA-N 307.262 -0.562 30 20 DBED N#Cc1ccc(O[C@@H]2CCN(C(=S)NCC(N)=O)C2)nc1 793260649 NFRDQWRIGUJQTM-SNVBAGLBSA-N 305.363 -0.234 30 20 DBED C#CCCCNC(=O)C(=O)NCc1cccc(OCC(N)=O)c1 793843761 JZGPREYWYWASRR-UHFFFAOYSA-N 317.345 -0.304 30 20 DBED C#CCCS(=O)(=O)NC1CCN(C(=O)CCOC)CC1 808302117 DGZYFVCMDGMIJK-UHFFFAOYSA-N 302.396 -0.043 30 20 DBED C=C[C@@H](O)C(=O)O[C@H](C)C(=O)N1CCN(C(=O)OCC)CC1 814550783 WGZBZVXMIFMIKM-GHMZBOCLSA-N 314.338 -0.234 30 20 DBED CNC(=O)CNC(=S)NN=C1CCCc2nc(N)ncc21 814844387 HMXGBPRNUNDDJF-UHFFFAOYSA-N 307.383 -0.691 30 20 DBED CC(C)(NC(=O)C(F)(F)F)C(=O)N[C@H]1CCCN(O)C1=O 816759580 PSETVSGCEONABL-LURJTMIESA-N 311.260 -0.060 30 20 DBED C=CCN(C(=O)CN1CCOC1=O)[C@H]1CCS(=O)(=O)C1 874126434 PQVIDJKCPMNMIE-JTQLQIEISA-N 302.352 -0.360 30 20 DBED C#CCSCC(=O)N1CCCC[C@@H]1CNS(N)(=O)=O 909151136 WPNCCEPKVNRVSF-SNVBAGLBSA-N 305.425 -0.473 30 20 DBED C#CC[C@@H](CO)NC(=O)NC[C@@H](C(C)C)N1CCN(C)CC1 913998925 SMKLHIFTDMQIKK-GJZGRUSLSA-N 310.442 -0.058 30 20 DBED C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)NCC#CCO)CC1 923776663 KBRCLTJZSUNVHR-CQSZACIVSA-N 322.409 -0.680 30 20 DBED C#CC[C@@H]1NC(=O)N(C2CCN(CC(=O)NCCC)CC2)C1=O 927355966 QPNRKOUHRJBHHV-ZDUSSCGKSA-N 320.393 -0.079 30 20 DBED CNC(=O)Cn1nc(NC(=O)NCC#CCN(C)C)cc1C 930632780 KYPIAJKXMJVTHT-UHFFFAOYSA-N 306.370 -0.376 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCN(C(=O)[C@H](O)C(C)C)C2)nn1 937971427 WAAUAZDUESDJBZ-WCQYABFASA-N 321.381 -0.188 30 20 DBED O=C1NCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)C#CC1CC1 944009910 QVTWPGVAZDRDNU-CHWSQXEVSA-N 303.362 -0.357 30 20 DBED Cc1nn(CC(=O)N[C@@H]2CCN(CC#N)C[C@@H]2C)c(=O)n1C 944491561 LTPVIZSIIIIGOD-CMPLNLGQSA-N 306.370 -0.760 30 20 DBED CC#CCN1CC[C@H](NC(=O)CN2C(=O)CCC2=O)[C@@H](C)C1 944832874 XUQGNWOYHXKGAK-STQMWFEESA-N 305.378 -0.015 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2CCC[C@H]2NC(=O)C(N)=O)nc1 946291463 KBGPGHZANGVXNH-NWDGAFQWSA-N 314.345 -0.437 30 20 DBED N#CCN1C[C@H]2CCN(C(=O)CN3CCOCC3=O)CC[C@H]2C1 946626164 RDHSEBWUOCNZIK-OKILXGFUSA-N 320.393 -0.461 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2[C@H]3C[C@H]2N(C(=O)c2cnn[nH]2)C3)nc1 947669342 NCCBSVCOVPACLS-ZLKJLUDKSA-N 322.328 -0.176 30 20 DBED C#Cc1ccc(C(=O)NCC2CCN(C(=O)C(N)=O)CC2)nc1 949377292 FHSGCLMZWLGIPY-UHFFFAOYSA-N 314.345 -0.483 30 20 DBED C=CCCN1CCN(C(=O)[C@@H]2CCN(C)S2(=O)=O)CC1 951699958 RQYRCISABDVTKN-LBPRGKRZSA-N 301.412 -0.259 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1cnn(C)n1 952172772 HRUYLZLYCNTPIH-LOWVWBTDSA-N 319.365 -0.263 30 20 DBED N#Cc1cc(C(=O)NC[C@@H]2CCCN2C(=O)CC(N)=O)c[nH]1 955934757 KCVRBVXZBULWQP-NSHDSACASA-N 303.322 -0.517 30 20 DBED C=CCN1CC[C@@H](N2CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)C1=O 957388673 QMQYEEAPCMYXPN-QWHCGFSZSA-N 320.393 -0.804 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2cc3c(cn2)OCCO3)C1 958147755 BFGJCNOBQZCTEW-DGCLKSJQSA-N 317.345 -0.492 30 20 DBED CC#CCN1C[C@H](O)[C@H](CNC(=O)c2cccn(C)c2=O)C1 958595006 OADUJKKWFQCBPV-OCCSQVGLSA-N 303.362 -0.569 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2cc3c(nc2O)CCC3)C1 958668604 YXEKTEYXLFWLOC-DOMZBBRYSA-N 315.373 -0.068 30 20 DBED CO[C@H](C)C(=O)N1CCO[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]21 960092802 XBQLNGKYXBRVIH-KWCYVHTRSA-N 306.362 -0.127 30 20 DBED O=C(CC1OCCCO1)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 962476851 HYGKVOGXHOZKMT-OLZOCXBDSA-N 322.361 -0.759 30 20 DBED O=C(NC[C@H]1COCCN1C(=O)C#CC1CC1)c1n[nH]cc1F 964348912 ILMAWQPJVRYYDP-NSHDSACASA-N 320.324 -0.081 30 20 DBED C#CCNC1CC2(C1)CC(NC(=O)c1cnc(O)n(C)c1=O)C2 964600768 UPNMRHDZIBBMGU-UHFFFAOYSA-N 316.361 -0.250 30 20 DBED C#Cc1cncc(C(=O)N[C@H]2CN(C(=O)CC(N)=O)C[C@H]2C)c1 966267106 XZUJLTBDTGPWTB-MFKMUULPSA-N 314.345 -0.485 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C2CN(C(=O)c3cn[nH]c3)C2)CC1 967243612 HHDMJEWRQOOYLM-NSHDSACASA-N 316.365 -0.462 30 20 DBED O=C(Cn1cnnn1)N1CC[C@@H]2CN(C(=O)C#CC3CC3)[C@@H]2C1 972075161 GAVZQXSUOIWPNQ-CHWSQXEVSA-N 314.349 -0.854 30 20 DBED C#CCCN1CCO[C@]2(CCN(C(=O)C[C@@H]3CCC(=O)N3)C2)C1 972594053 PQZORNIAYXRHBL-WMLDXEAASA-N 319.405 -0.018 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCCN(C(=O)C(N)=O)C1 975314140 XSMKMMHXBQGFJD-AVGNSLFASA-N 323.393 -0.192 30 20 DBED C#CCN1C[C@H]2C(CNC(=O)c3ccnc4c3nnn4C)[C@@H]2C1 978640280 KXOOIFMCLWHSRD-STQMWFEESA-N 310.361 -0.096 30 20 DBED N#CCN1C[C@H]2C[C@@H](NC(=O)C3CC(=O)NC(=O)C3)CC[C@H]2C1 980181610 FUJUMFXHVZQXHK-UHTWSYAYSA-N 318.377 -0.221 30 20 DBED N#CCN1C[C@H]2C[C@H](NC(=O)CN3CC(=O)NC3=O)CC[C@H]2C1 980192675 JEPSTPCXPSPVAY-QJPTWQEYSA-N 319.365 -0.722 30 20 DBED C#CCN[C@@H]1CCC[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)C1 981487067 QKJVZVJDVJAAGF-CHWSQXEVSA-N 305.382 -0.460 30 20 DBED N#CCN1CCC(CNC(=O)[C@H]2CCS(=O)(=O)N2)CC1 1002133374 RJHRROWYLGEDBC-LLVKDONJSA-N 300.384 -0.970 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCCCN1C(=O)C(N)=O 1005529342 WIJFNVGPTUDJOB-UPJWGTAASA-N 323.393 -0.050 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2C(CNC(=O)c3cn(C)nn3)[C@H]2C1 1009013554 DGXZZRJPBIVDOV-FBIMIBRVSA-N 302.338 -0.591 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H]2CCN(CC(=O)NC3CC3)C2)c1 1010455789 BMIHCKKBLMXPGE-LBPRGKRZSA-N 301.350 -0.031 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C(=O)c2cccc(=O)n2C)CC1 1012331439 VJTGILFRRJCBAQ-NSHDSACASA-N 302.334 -0.171 30 20 DBED C=C(Cl)CN[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 1019749129 YVVOBILDBBVQSO-VIFPVBQESA-N 300.746 -0.519 30 20 DBED C=CCN1CC[C@H](N[C@H]2C[C@@H](NC(=O)c3cnn[nH]3)C2)C1=O 1022354633 WVSMCUYLHJVTQR-AXFHLTTASA-N 304.354 -0.558 30 20 DBED C=C(Cl)CN[C@H]1C[C@@H](NC(=O)Cn2ccc(O)nc2=O)C1 1022378889 PPCLSEUCCMVSRF-AOOOYVTPSA-N 312.757 -0.062 30 20 DBED Cc1nn[nH]c1C(=O)N1C[C@@H]2CCN(C(=O)[C@@H](C)C#N)[C@@H]2C1 1022573100 OGCGXQHZXYCSTM-INTQDDNPSA-N 302.338 -0.054 30 20 DBED C=C1CC(C)(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cnnn3C)C2)C1 1023566618 DMPZRRRJMPKZRP-ZYHUDNBSSA-N 319.365 -0.527 30 20 DBED C=C(C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCNC2=O)C1 1025010690 VCNLNOHXAIJYCJ-IJLUTSLNSA-N 323.393 -0.587 30 20 DBED COCc1nc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2O)co1 1025414187 HRISLIOAPSABNF-IQJOONFLSA-N 322.321 -0.718 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)c3nccc(C)n3)C2)C1=O 1030263665 QEZBKKKUVOEMPG-CYBMUJFWSA-N 315.377 -0.014 30 20 DBED CN1CCN(CC(=O)N[C@H]2CCCCN(CC#N)C2)CC1=O 1034279256 QMYZMAOIOZZNQQ-ZDUSSCGKSA-N 307.398 -0.745 30 20 DBED C#CCN1CCCC[C@H](NC(=O)[C@H]2COCCN2C(C)=O)C1 1034533698 WXYVCIQMPDBEPI-LSDHHAIUSA-N 307.394 -0.162 30 20 DBED C=CCN1CCO[C@H](CNC(=O)c2cn(CCOC)nn2)C1 1035368904 UAEIZCKSOORKBG-GFCCVEGCSA-N 309.370 -0.459 30 20 DBED C#CCCN1CC[C@H]2CN(C(=O)CN3CCOCC3=O)CC[C@@H]21 1036739060 SCDKGZAHYHESCC-GJZGRUSLSA-N 319.405 -0.209 30 20 DBED C=CCCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)CN1CCN(C)C(=O)C1 1037462088 AGMFFSBECMSUEY-DVOMOZLQSA-N 306.410 -0.475 30 20 DBED Cn1nnnc1CN1CC[C@@H]1CNC(=O)c1ccc(C#N)[nH]1 1038169866 QCUKGSRBIQSKOF-SNVBAGLBSA-N 300.326 -0.586 30 20 DBED C#CCCN1CC[C@@H]1CNC(=O)[C@@H]1CCc2nnc(O)n2C1 1038421327 FGQFHGVDRFGJLM-VXGBXAGGSA-N 303.366 -0.240 30 20 DBED CC(C)(C)C#CC(=O)N1CC[C@](O)(CNC(=O)c2cnn[nH]2)C1 1040264445 CTHHHRJJHNEMLE-HNNXBMFYSA-N 319.365 -0.453 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)c2ccn(C)c2)C1 1040763977 SXTFTOFGOJIBTN-NHYWBVRUSA-N 304.350 -0.122 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3CCOC3)C2)nn1 1040939530 UCNXITFPTYPTEH-MVWJERBFSA-N 303.322 -0.950 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)c2cc[n+]([O-])cc2)C1 1041331660 AZWBVRMDXKWXBF-UHFFFAOYSA-N 319.361 -0.165 30 20 DBED CSCCC(=O)NCC1(O)CN(C(=O)c2c[nH]c(C#N)c2)C1 1041373353 PREJDHWDCANWJJ-UHFFFAOYSA-N 322.390 -0.057 30 20 DBED O=C(NCC1(O)CN(C(=O)C#CC2CC2)C1)c1cnns1 1041697640 IULDFJNMXNFANU-UHFFFAOYSA-N 306.347 -0.745 30 20 DBED C#Cc1cncc(C(=O)N2CC(O)(CNC(=O)[C@H](C)OC)C2)c1 1041764430 OEHIIXMYLJWONZ-NSHDSACASA-N 317.345 -0.599 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)[C@H]2CCCN2C)C1 1042105317 ZAKRAOIXUWVVON-GFCCVEGCSA-N 309.410 -0.018 30 20 DBED N#Cc1c[nH]c(C(=O)NCC2(O)CN(C(=O)c3cn[nH]c3)C2)c1 1042400695 GQEBKLSAPJGQPD-UHFFFAOYSA-N 314.305 -0.774 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(O)CN(C(=O)c2ccncn2)C1 1042806620 ILHSSOQDRJWTGS-AWEZNQCLSA-N 320.349 -0.893 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)CCc2ncc[nH]2)C1 1042824321 ZXQOPVABWLVUTM-UHFFFAOYSA-N 306.366 -0.002 30 20 DBED CCNC(=O)CC(=O)N1CC(O)(CNC(=O)C#CC(C)(C)C)C1 1042966227 SMAUMWLCOSYFEN-UHFFFAOYSA-N 323.393 -0.748 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)c2c[nH]nc2C)C1 1043040555 UWPAQUNVJCXOCQ-UHFFFAOYSA-N 320.349 -0.939 30 20 DBED CC(C)N1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@@H](C)C#N)C1 1043043343 IPQVORYMIWHEDY-STQMWFEESA-N 322.409 -0.292 30 20 DBED CCc1ncncc1C(=O)NCC1(O)CN(C(=O)[C@@H](C)C#N)C1 1043141443 IZTWOOSBJCZFHN-JTQLQIEISA-N 317.349 -0.498 30 20 DBED C=CCCOCC(=O)NCC1(O)CN(C(=O)c2cc(C)on2)C1 1043565406 MIGPZEOVVSYVRR-UHFFFAOYSA-N 323.349 -0.121 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)[C@H]2CO[C@H](C)C2)C1 1043624974 MBMYBTKUQHZIDE-VXGBXAGGSA-N 312.366 -0.697 30 20 DBED C=CCCOCC(=O)N1CC(O)(CNC(=O)c2[nH]cnc2C)C1 1043822379 DGLHEDAHTFWLRF-UHFFFAOYSA-N 322.365 -0.386 30 20 DBED Cc1ccnn1CC(=O)N1CCN([C@H]2CCN(CC#N)C2)CC1 1046070254 NNSQKTOZWPLSCV-HNNXBMFYSA-N 316.409 -0.066 30 20 DBED C#CCCN1C[C@H]2CN(C(=O)CN3CCOCC3=O)C[C@H]2C1 1048865424 CNCZGSGLSVOMPB-OKILXGFUSA-N 305.378 -0.741 30 20 DBED C#CCN1C[C@H]2CN(C(=O)[C@@H](C)CN3CCOCC3)C[C@H]2C1 1049215937 QLJNBDUDPLOTEF-HRCADAONSA-N 305.422 -0.022 30 20 DBED C#CCCN1CCOC[C@H]1CNC(=O)[C@H]1CCNC(=O)CC1 1051045974 HGCVNBYMQQFDQI-ZIAGYGMSSA-N 307.394 -0.257 30 20 DBED N#Cc1nccnc1N1CC[C@@H](NC(=O)c2cnco2)[C@@H](O)C1 1051753842 IXWWYGMFZKNBID-KOLCDFICSA-N 314.305 -0.294 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)c1nnn(C)c1C)CCO2 1053201852 XLOPGOSUMBJOAB-UHFFFAOYSA-N 303.366 -0.326 30 20 DBED N#CCN1CC2(CC[C@@H](CNC(=O)[C@@H]3CCCCC(=O)N3)O2)C1 1053661919 AMEMFHOTEUJXPQ-STQMWFEESA-N 320.393 -0.082 30 20 DBED CC(C)(C)C#CC(=O)NCCN1CCC(NC(=O)C(N)=O)CC1 1055574981 GWNYQVRGRFUEDP-UHFFFAOYSA-N 322.409 -0.782 30 20 DBED CC(C)(C)C#CC(=O)N[C@@]1(CO)CCCN(C(=O)CC(N)=O)C1 1055940355 MEFORLDHLGPKBL-INIZCTEOSA-N 323.393 -0.619 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@](CO)(NC(=O)Cc2cnoc2)C1 1056067515 UCARPFJGHOTURG-XHDPSFHLSA-N 320.349 -0.154 30 20 DBED Cn1cc(CC(=O)N2CC[C@@H](N=c3cc[nH]c(C#N)n3)C2)cn1 1056588561 ARXWQGICNYKMOC-GFCCVEGCSA-N 311.349 -0.241 30 20 DBED CNC(=O)NCC(=O)N1C[C@@H]2CCCN(C(=O)[C@@H](C)C#N)[C@@H]2C1 1056713117 DGRNQJZVFXMLQJ-SDDRHHMPSA-N 321.381 -0.476 30 20 DBED N#Cc1nccnc1N[C@@H]1CCN(C(=O)C[C@@H]2CCNC2=O)C1 1056716217 GXKJQFHOJLMFLS-WDEREUQCSA-N 314.349 -0.113 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)c1ccnn1C 1057152611 KMOXODOBTALIEG-UHFFFAOYSA-N 306.366 -0.226 30 20 DBED N#Cc1nccc(N2CCCN(C(=O)[C@@H]3CCC(=O)N3)CC2)n1 1057162096 TUZCVNZNBXTENV-NSHDSACASA-N 314.349 -0.334 30 20 DBED CC(C)(O)CC(=O)NCCN(CCO)C(=O)c1c[nH]c(C#N)c1 1057391612 FWNXPHGJBCHGMQ-UHFFFAOYSA-N 322.365 -0.402 30 20 DBED N#Cc1nc(=N[C@@H]2CCCN(C(=O)C3(C(N)=O)CC3)C2)cc[nH]1 1057741941 NQPNWUCBSFNXKF-SNVBAGLBSA-N 314.349 -0.561 30 20 DBED C=C(C)CCC(=O)N(CCO)CCNC(=O)C1(C(N)=O)CC1 1057805643 KQJZGBRUKLKZRZ-UHFFFAOYSA-N 311.382 -0.455 30 20 DBED N#Cc1ccc(N2CCC[C@@H](NC(=O)[C@H]3CNC(=O)N3)C2)cn1 1058231394 GNOQJYOBDWTKED-DGCLKSJQSA-N 314.349 -0.280 30 20 DBED CN1CCO[C@H](C(=O)N[C@@H]2CCN(c3ncccc3C#N)C2)C1 1058316633 DAWQCWZDIKXZNI-KGLIPLIRSA-N 315.377 -0.021 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)C[C@@](C)(O)C1CC1 1058653387 UIEHSWNCWRAJAU-IAQYHMDHSA-N 311.382 -0.366 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)CCc1nccn1C 1058654981 MRVWUTQDYINJND-LBPRGKRZSA-N 321.381 -0.551 30 20 DBED C=CCCC(=O)NC[C@@H]1COCCN1C(=O)C[C@H]1CCNC1=O 1061411311 ZJLFJESLFMZOMP-CHWSQXEVSA-N 323.393 -0.178 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(NC(=O)[C@@H]2CCC(=O)N2)CCC1 1062869560 FXKUWWBEPWISNV-XHDPSFHLSA-N 323.393 -0.253 30 20 DBED CN(C(=O)Cn1cnnn1)[C@@H]1CCN(c2cnc(C#N)cn2)C1 1062876776 LPRBBLHUFXIJRZ-LLVKDONJSA-N 313.325 -0.928 30 20 DBED N#CCSCC(=O)NC1(CNC(=O)c2cnn[nH]2)CCC1 1063581939 JSOZZLKGUFSNGU-UHFFFAOYSA-N 308.367 -0.170 30 20 DBED N#Cc1cncc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)c2nccnc2N)n1 1064225495 JKSPGEBJLVYRIW-QRTLGDNMSA-N 322.332 -0.272 30 20 DBED COCCC(=O)N1CCO[C@@H](CNC(=O)c2c[nH]c(C#N)c2)C1 1064705133 BYNPXNPEHMNONO-ZDUSSCGKSA-N 320.349 -0.120 30 20 DBED C=CCOCC(=O)N1CCO[C@@H](CNC(=O)[C@H](C)COC)C1 1064977831 XQTNXECJRQIPKM-OLZOCXBDSA-N 314.382 -0.185 30 20 DBED CCC(=O)NCC(=O)N1CCO[C@H](CNC(=O)C#CC2CC2)C1 1064980837 BBSMNSNVVHILML-CYBMUJFWSA-N 321.377 -0.730 30 20 DBED CCNC(=O)CCC(=O)NC[C@H]1CN(C(=O)[C@@H](C)C#N)CCO1 1065558000 XSDMGWFWABVWEB-RYUDHWBXSA-N 324.381 -0.594 30 20 DBED CN(C(=O)c1ccon1)[C@H]1CN(c2nccnc2C#N)C[C@@H]1O 1065564650 MADGZJCUVDUGBV-RYUDHWBXSA-N 314.305 -0.342 30 20 DBED N#Cc1c(F)cccc1N[C@]1(CO)CCCN(C(=O)C(N)=O)C1 1066920298 OVKIOBVNIOITLH-OAHLLOKOSA-N 320.324 -0.052 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)CCCN(C)C(=O)C(N)=O 1067523225 HXXLZCRVRWYCNG-RYUDHWBXSA-N 311.382 -0.240 30 20 DBED C=CCCC(=O)N[C@H]1COC2(C1)CN(C(=O)CNC(N)=O)C2 1068748907 ZOQTVUNNWRJUOZ-SNVBAGLBSA-N 310.354 -0.893 30 20 DBED C[C@@H]1[C@@H](Nc2cncc(C#N)n2)CCN1C(=O)c1nnn(C)n1 1068932823 XZLDYBFUWGCZGC-SCZZXKLOSA-N 313.325 -0.413 30 20 DBED C#CCNC(=O)CC(=O)NCC1(NC(=O)C(C)C)CCOCC1 1069992408 ZKZNVMWEBUAEDX-UHFFFAOYSA-N 323.393 -0.437 30 20 DBED C#CCN1CCOC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CCOC2)n1 1070581593 DZXJCKUVQRJSMU-NWDGAFQWSA-N 319.365 -0.536 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)c2ccc(O)nn2)CC1 1070933284 CQNVNTHBHMOOBT-UHFFFAOYSA-N 319.365 -0.368 30 20 DBED C=CCN1CC[C@@]2(C1)CN(C(=O)Cn1ncnn1)C[C@@H](C)O2 1071168757 HFKBIBIJSSFJJF-TZMCWYRMSA-N 306.370 -0.449 30 20 DBED C=CCCC(=O)N1C[C@H](C)[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1 1071786695 HXIJFYMBBNGUBP-CMPLNLGQSA-N 321.377 -0.032 30 20 DBED C=CCOCC(=O)N[C@H]1CN(C(=O)CNC(=O)CC)C[C@H]1C 1071816311 VLIKEGASUGOHRJ-NEPJUHHUSA-N 311.382 -0.322 30 20 DBED C=CCCn1cc(C(=O)N[C@@H]2CC[C@H](C)N(CC(N)=O)C2)nn1 1071890836 SLCCHGUXPSHQEP-NWDGAFQWSA-N 320.397 -0.078 30 20 DBED C#CCO[C@@H](C)C(=O)NC1(C)CCN(C(=O)CNC(C)=O)CC1 1072834702 CLQXXNRUWQOLKM-LBPRGKRZSA-N 323.393 -0.342 30 20 DBED C=C[C@H](C)[C@H](C)C(=O)N1CCN(C2CN(C(=O)C(N)=O)C2)CC1 1073591154 VCUULEIRNHPDHD-RYUDHWBXSA-N 322.409 -0.715 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)[C@H]2CCCN(C(N)=O)C2)C1 1073687541 UZICHMCZJISLSU-KBPBESRZSA-N 322.409 -0.383 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)c3cc(OC)n(C)n3)C[C@H]21 1074293739 CLNHHVZBIITTGP-ZIAGYGMSSA-N 318.377 -0.023 30 20 DBED C#CCO[C@@H](C)C(=O)NCC[C@H](C)NC(=O)CNC(=O)C1CC1 1076509300 UBHGICARTLSCBT-RYUDHWBXSA-N 323.393 -0.438 30 20 DBED C#CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)[C@H](C)NC(C)=O)C1 1079770870 OAOKCWAZOZZNHK-NWDGAFQWSA-N 323.393 -0.391 30 20 DBED C#CCCCC(=O)N1CC(N(CC)C(=O)CNC(=O)NC)C1 1079919036 OUBOHGODGCMNGC-UHFFFAOYSA-N 308.382 -0.222 30 20 DBED CO[C@@H](C)C(=O)N1CCC(CO)(NC(=O)C#CC2CC2)CC1 1080853348 ULFDANJWLWREPY-LBPRGKRZSA-N 308.378 -0.096 30 20 DBED C[C@@H](C#N)C(=O)NC1(CO)CCN(C(=O)CN2CCCC2)CC1 1080981493 FRVYLMMSQXCXKI-ZDUSSCGKSA-N 322.409 -0.288 30 20 DBED C=CCOCC(=O)N1C[C@H](CNC(=O)C(C)(F)F)[C@@H](O)C1 1081184667 XOOZTOLMRBNVCR-UWVGGRQHSA-N 306.309 -0.220 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@H](CNC(=O)CSC)C1 1081237863 VBVFYIGBJGLTNB-GHMZBOCLSA-N 302.396 -0.513 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)c2cncnc2O)C[C@@H]1O 1081337497 FWQMGWJFPBYDSY-PWSUYJOCSA-N 320.349 -0.303 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@H](CNC(=O)C#CC(C)C)C1 1081462754 FDMUUKZOJSPVNW-ZIAGYGMSSA-N 308.378 -0.216 30 20 DBED C#CCCCC(=O)N1C[C@H](CNC(=O)c2[nH]nnc2C)[C@@H](O)C1 1081637251 KTMYPNBQXKVCTA-RYUDHWBXSA-N 319.365 -0.534 30 20 DBED C#CCCN1C[C@@H](NC(=O)[C@@H]2CCN(C)C(=O)C2)[C@H](OC)C1 1081863577 AUWIEDZDKVOYRX-MGPQQGTHSA-N 307.394 -0.307 30 20 DBED C#CCN1C[C@@H](NC(=O)c2cnc(O)cc2OC)[C@H](OC)C1 1082143661 CREVJRPJIKDFST-DGCLKSJQSA-N 305.334 -0.142 30 20 DBED C#CCN1C[C@@H](NC(=O)CN2CCCCCC2=O)[C@H](OC)C1 1082359965 CZVFQKWMJLEBRU-ZIAGYGMSSA-N 307.394 -0.162 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H]2CN(CC(=O)N3CCCC3)C[C@@H]21 1083024129 BSNXFCLUQQUACY-HZSPNIEDSA-N 320.393 -0.320 30 20 DBED CCc1nnc(O)c(C(=O)N[C@@H]2CN(CC#N)C[C@@H]2O)c1CC 1083501143 YNUGDIKARNWKOZ-NEPJUHHUSA-N 319.365 -0.395 30 20 DBED C#CCN1CCC(C(=O)N[C@@H]2CN(CCCF)C[C@@H]2O)CC1 1084089999 FRCPOYDKLVESFX-CABCVRRESA-N 311.401 -0.148 30 20 DBED C=CCn1cc(C(=O)N2C[C@H]3CCN([C@H](C)C(N)=O)C[C@H]32)nn1 1084708801 USVVPJWLHDVKRV-NQBHXWOUSA-N 318.381 -0.516 30 20 DBED Cn1cc(C(=O)N[C@@H]2CCCC[C@H]2NCC#N)c(O)nc1=O 1085420429 FFLOYDUIVYLEQX-GHMZBOCLSA-N 305.338 -0.360 30 20 DBED C#CCN1CCC(C(=O)N(C)C[C@@H]2CCN2[C@H](C)C(N)=O)CC1 1085987070 SYXMRYLYIHDSCP-HIFRSBDPSA-N 320.437 -0.262 30 20 DBED C#CCN1CCC(C(=O)N(C)C[C@H]2CCN2[C@H](C)C(N)=O)CC1 1085987071 SYXMRYLYIHDSCP-UKRRQHHQSA-N 320.437 -0.262 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2cc(C(N)=O)co2)[C@H](O)C1 1090567380 UMDZWIOTUVWHMT-NWDGAFQWSA-N 305.334 -0.433 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2ccc3nncn3c2)[C@@H](O)C1 1090640430 IICVDRLVTCNYRR-NEPJUHHUSA-N 300.322 -0.582 30 20 DBED CNC(=O)NCC(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1C 1090838060 GMRFJMKMOAPFGD-MWLCHTKSSA-N 317.353 -0.782 30 20 DBED COC[C@H](C)C(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1091088888 NVGMMPLPBMVRRN-WCQGTBRESA-N 305.338 -0.704 30 20 DBED CO[C@@H](C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@@H]1O)C(C)C 1091178961 BPWLFXJGIGVYIW-FRRDWIJNSA-N 319.365 -0.315 30 20 DBED COc1ccnc(N2CC[C@H](NC(=O)C#CC3CC3)[C@@H](O)C2)n1 1092151049 JEVMMCWLHDAEDJ-STQMWFEESA-N 316.361 -0.046 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CN(CC(N)=O)C[C@H]1C 1092690075 ZTXAMFPKUYPXCJ-MCIONIFRSA-N 306.410 -0.747 30 20 DBED Cn1nnc(C(=O)NCCNc2ccc(C#N)cc2[N+](=O)[O-])n1 1094042927 OEXPOPJUQXCVTE-UHFFFAOYSA-N 316.281 -0.168 30 20 DBED N#Cc1c[nH]ccc1=NCCNC(=O)c1cnc2[nH]nnc2c1 1094211483 FWUILSRDZUVDHN-UHFFFAOYSA-N 308.305 -0.117 30 20 DBED CN(C)C(=O)C1(C(=O)NCCCN=c2cc[nH]c(C#N)n2)CC1 1094572404 RANGTUMWEGEQQC-UHFFFAOYSA-N 316.365 -0.443 30 20 DBED C#CCCN1CC(N2C[C@@H](NC(=O)c3cncnc3)CC2=O)C1 1094726661 WDZMVZPHSFJYPY-ZDUSSCGKSA-N 313.361 -0.485 30 20 DBED COC(=O)NCC(=O)N[C@@H]1CCCN(c2cncc(C#N)n2)C1 1096138048 PIBBHECXTQINCW-SNVBAGLBSA-N 318.337 -0.211 30 20 DBED COC[C@H](OC)C(=O)N[C@H]1CCN(c2ccnc(C#N)n2)C1 1096483281 XXFQWOHNFMIJSI-QWRGUYRKSA-N 305.338 -0.295 30 20 DBED CCC(=O)N[C@H](C)C(=O)N[C@@H]1CCN(c2cncc(C#N)n2)C1 1096496516 ZDBNAKPJPXLTSW-GHMZBOCLSA-N 316.365 -0.042 30 20 DBED C=CCCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H]1CCS(=O)(=O)N1 1096565537 LZPKXVKYTKOATG-VOAKCMCISA-N 313.423 -0.024 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](Nc2ccc(C)nn2)C1 1096936031 YOLGLXFMRDAPSD-LBPRGKRZSA-N 301.350 -0.063 30 20 DBED C[C@H](CNC(=O)CNC(=O)C1CC1)Nc1cnc(C#N)cn1 1097686943 PACIUBILSBIYGZ-SECBINFHSA-N 302.338 -0.209 30 20 DBED CNC(=O)CC(=O)N1CC[C@H](CN=c2cc[nH]c(C#N)n2)C1 1098521648 JCNBVNGNQNIBRT-SNVBAGLBSA-N 302.338 -0.833 30 20 DBED N#CCNCc1cn([C@@H]2CCN(C(=O)c3ccon3)C2)nn1 1098626704 ZMJRSGWSJVFAAX-LLVKDONJSA-N 301.310 -0.034 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2cc[n+]([O-])cc2)[C@@H](O)C1 1099639587 MCCDMUMZXOUDMF-GJZGRUSLSA-N 319.361 -0.865 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2snnc2C)[C@@H](O)C1 1099651060 OSHBCEVMMIOZGQ-RYUDHWBXSA-N 324.406 -0.339 30 20 DBED Cn1nncc1CN1CC[C@@H](NC(=O)CSCC#N)[C@@H](O)C1 1099690635 RTYJHKKPSRKAJG-NEPJUHHUSA-N 324.410 -0.877 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(Cc2n[nH]c(C)n2)C[C@@H]1O 1099738814 SSQVYQABCVUUIV-NEPJUHHUSA-N 309.370 -0.633 30 20 DBED COCC#CCN1CC[C@H](NC(=O)C2(N(C)C)CCC2)[C@@H](O)C1 1099872509 VGTNYLNTLABJRR-GJZGRUSLSA-N 323.437 -0.328 30 20 DBED C#CCC1(C(=O)N[C@@H]2CCN(CCOCCO)C[C@H]2O)CCC1 1099875002 UGUMHWIDGNRHEM-HUUCEWRRSA-N 324.421 -0.260 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2[nH]c(O)nc2C)[C@H](O)C1 1099885427 MUOAAHQAVTXEMC-NWDGAFQWSA-N 322.365 -0.761 30 20 DBED CCc1nc[nH]c1C(=O)N[C@@H]1CCN(CC#CCOC)C[C@@H]1O 1100092020 JFVJCQRGMZMMFL-KGLIPLIRSA-N 320.393 -0.213 30 20 DBED CN(CCNC(=O)CCc1cnn[nH]1)c1cncc(C#N)n1 1100334749 RENLVTAGWQHWAL-UHFFFAOYSA-N 300.326 -0.348 30 20 DBED C=CCNC(=O)[C@@H](C)NC1CC(CNC(=O)Cn2nccn2)C1 1100370294 YXMNPSRQDIKJBH-PNESKVBLSA-N 320.397 -0.547 30 20 DBED N#CCNC1CC(CNC(=O)Cn2nc3ccccn3c2=O)C1 1100555749 KDVDNFSFYBIJTH-UHFFFAOYSA-N 314.349 -0.496 30 20 DBED CC(C)N(CCCNC(=O)CNC(N)=O)c1cncc(C#N)n1 1102077256 GJAAQLHWAIRRQP-UHFFFAOYSA-N 319.369 -0.262 30 20 DBED CC(=O)N[C@H](C)C(=O)N(C)[C@@H]1CCN(c2ccc(C#N)nn2)C1 1102668805 UIGWFPNBJNEIMW-ZWNOBZJWSA-N 316.365 -0.090 30 20 DBED N#Cc1nccnc1N1CCC(CCNC(=O)C(N)=O)CC1 1103699677 VATHWFABMDKEPG-UHFFFAOYSA-N 302.338 -0.444 30 20 DBED C#CCOCCC(=O)NC[C@H](C)CNc1nccn2nnnc12 1104089980 SYZCCGKDERWMSS-NSHDSACASA-N 317.353 -0.277 30 20 DBED C[C@H](CNc1ccc(C#N)nn1)N(C)C(=O)Cc1nc[nH]n1 1104672413 CBLHEGXUMLCLDR-SECBINFHSA-N 300.326 -0.032 30 20 DBED Cn1cnc(C(=O)NC[C@@H](O)CNc2ccc(C#N)cn2)n1 1105815540 KEJKGBOIMZSULB-JTQLQIEISA-N 301.310 -0.715 30 20 DBED Cc1cc(NC[C@H](O)CNC(=O)C#CC2CC2)nc(CO)n1 1105825493 HAFZGZBVHRWOFI-LBPRGKRZSA-N 304.350 -0.420 30 20 DBED CC(=O)NC(C)(C)C(=O)NC[C@@H](O)CNc1cnc(C#N)cn1 1105899004 XBBOOJKRUHLTNF-NSHDSACASA-N 320.353 -0.848 30 20 DBED C#CCN1CC(n2cc(CNC(=O)COCCC=C)nn2)C1 1107241412 UGAXTKOIZPBOKM-UHFFFAOYSA-N 303.366 -0.023 30 20 DBED C#CCCN1CCO[C@@](C)(CNC(=O)Cn2cnnc2O)C1 1107887294 VISAJKWBPNPNIO-AWEZNQCLSA-N 307.354 -0.786 30 20 DBED C=CCNC(=O)CN1CCO[C@](C)(CNC(=O)c2cnco2)C1 1108104325 BNHLXJQJALPDKO-OAHLLOKOSA-N 322.365 -0.203 30 20 DBED C[C@@H](CNc1cnc(C#N)cn1)NC(=O)C1CS(=O)(=O)C1 1108547362 CXRJETTZVYWTJC-QMMMGPOBSA-N 309.351 -0.691 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)C3(COC)CCC3)CC2=O)C1 1108557225 SFSRUJSDCCXTQZ-CYBMUJFWSA-N 319.405 -0.162 30 20 DBED C[C@@H](CN(C)c1ccc(C#N)nn1)NC(=O)[C@@H]1CN(C)CCO1 1108904973 GBANAHLKFBANMM-AAEUAGOBSA-N 318.381 -0.380 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C1CC(OC)C1 1109432612 ZXNBDBBRUXOKGQ-PPJOZLOBSA-N 319.405 -0.118 30 20 DBED COCCCC(=O)NC[C@@]1(O)CCN(c2ccnc(C#N)n2)C1 1111050975 SHSFOJOZQAXCOF-HNNXBMFYSA-N 319.365 -0.168 30 20 DBED C[C@H]1CN(C(=O)CNC(N)=O)C[C@@H]1Nc1cncc(C#N)n1 1112306394 FSEGBYJJUSGZRC-WPRPVWTQSA-N 303.326 -0.725 30 20 DBED CNC(=O)CC(=O)N[C@H]1CCN(c2cnc(C#N)cn2)C[C@H]1C 1112400598 ORDXEELFSNUWST-PWSUYJOCSA-N 316.365 -0.185 30 20 DBED C=CCN1CC[C@H](N2CCN(C(=O)[C@@H](C)CC(N)=O)CC2)C1=O 1113196453 RTZBYERRTNJEFM-STQMWFEESA-N 322.409 -0.571 30 20 DBED C[C@@H](CC(=O)N1CCN(CC(=O)NCC#N)CC1)n1ccnc1 1113387701 MHTQESDYILBUAB-ZDUSSCGKSA-N 318.381 -0.382 30 20 DBED CCN(CCC#N)C(=O)CN1CCN(C(=O)c2cnon2)CC1 1113443985 KJJLWXDPIPAWKJ-UHFFFAOYSA-N 320.353 -0.410 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)c2cn(CC)nn2)CC1 1113474426 NLYKZPXXBGFFES-LBPRGKRZSA-N 320.397 -0.254 30 20 DBED Cc1cc(C#N)nc(N(C)[C@H](C)CNC(=O)[C@H]2CCC(=O)N2)n1 1113542704 GOBSPAUBIJXHPY-ZYHUDNBSSA-N 316.365 -0.124 30 20 DBED C[C@@H](CNC(=O)[C@H]1COCCN1C)N(C)c1ccc(C#N)nn1 1113559925 FTYRAFXZBRRKIY-WCQYABFASA-N 318.381 -0.380 30 20 DBED COCC#CCN1CCN(C(=O)[C@H]2CCC(=O)N(C)C2)CC1 1113686820 WZEJSEKRZREXGB-AWEZNQCLSA-N 307.394 -0.351 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3nccn3CC)[C@H]2C1 1114188804 HCLHPSFQACKGLB-IMRBUKKESA-N 317.393 -0.135 30 20 DBED C=C(C)CCN1C[C@H]2C(NC(=O)[C@H](C)NS(C)(=O)=O)[C@@H]2C1 1114888388 GGXISIRSUUSGIE-QJPTWQEYSA-N 315.439 -0.063 30 20 DBED CCc1nc[nH]c1C(=O)NC1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]12 1115186535 VSIJDLXNHMMIGJ-NXEZZACHSA-N 316.365 -0.728 30 20 DBED C[C@@H](CN(C)C(=O)[C@H]1CCNC(=O)C1)N=c1cc[nH]c(C#N)n1 1115708538 FWOWOSGZUZTMJC-QWRGUYRKSA-N 316.365 -0.445 30 20 DBED N#CCC1(CNC(=O)C(=O)NCCCN2C(=O)CCC2=O)CC1 1117685552 PUBRHURRLZQGNQ-UHFFFAOYSA-N 320.349 -0.548 30 20 DBED N#Cc1nc(=N[C@H](CO)CNC(=O)c2cncc(F)c2)cc[nH]1 1121302943 JNWADRLNJPZGKS-NSHDSACASA-N 316.296 -0.493 30 20 DBED C[C@H](C(=O)NC[C@@H](CO)N=c1cc[nH]cc1C#N)n1cncn1 1121346679 SILOOXKLBHIHFX-PWSUYJOCSA-N 315.337 -0.883 30 20 DBED CC1(Cn2cc(C(=O)[C@H](C#N)C(=O)NC3CC3)nn2)COC1 1122414441 DWRJLQIGOMEFGS-JTQLQIEISA-N 303.322 -0.084 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)c1ccc[nH]1 1123459987 XPLZEOHDHIVJDJ-SNVBAGLBSA-N 307.354 -0.266 30 20 DBED CNC(=O)CC(=O)N[C@H]1CCCN(c2cnc(C#N)cn2)[C@@H]1C 1123537281 GTBOIQPEOXSYKN-PWSUYJOCSA-N 316.365 -0.042 30 20 DBED CC[C@@H](C)OCC(=O)N(C)C[C@H](O)CN=c1cc[nH]c(C#N)n1 1124250696 LKUAUYIKBUTMPZ-VXGBXAGGSA-N 321.381 -0.184 30 20 DBED C#CCNC(=O)CC(=O)NCCNCc1ccn(C(C)C)n1 1125998696 SYUZVVWZXNLJMD-UHFFFAOYSA-N 305.382 -0.191 30 20 DBED C[C@H](NC(=O)CC(N)=O)C1CCN(c2cncc(C#N)n2)CC1 1126724927 VBLBWSCPIUKNPO-JTQLQIEISA-N 316.365 -0.055 30 20 DBED C#CCO[C@@H](C)C(=O)NCCNC[C@@H](O)COCC(C)C 1127052399 WKKIXOUPMUHLHG-UONOGXRCSA-N 300.399 -0.236 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)COCCC=C)C1 1129476468 IZSAEGYGYOWBSV-KGLIPLIRSA-N 303.366 -0.155 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCNCC(=O)N[C@@H](C)C(C)C 1129770358 DTLIDZFJDBSDNR-GJZGRUSLSA-N 322.453 -0.050 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cncc2ncn(C)c12 1129845964 LWDSIVXSSHENTA-UHFFFAOYSA-N 314.349 -0.963 30 20 DBED C#CCCN[C@@H]1CN(C(=O)[C@H](C)CC(N)=O)C[C@@H]1n1ccnn1 1129957172 VBPINBJDGGDPDS-UPJWGTAASA-N 318.381 -0.846 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1nccc2occc12 1131607600 NEBZFRCWJLUKIP-UHFFFAOYSA-N 301.306 -0.213 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H](C)NC(=O)C(C)(C)C 1132132459 KFKRDEILRIJXDT-VXGBXAGGSA-N 324.425 -0.619 30 20 DBED C[C@@H]1CC[C@@H](NC(=O)CCn2cc[nH]c(=O)c2=O)CN1CC#N 1132355158 VDEXVQINLFAGSP-VXGBXAGGSA-N 319.365 -0.581 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@H]1CCCc2nn[nH]c21 1133000673 GULPJJRATPYDQH-JTQLQIEISA-N 306.370 -0.767 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@@H]1Cc2ccncc2C1 1133877483 ZOBCHKYOGCOIET-CYBMUJFWSA-N 300.362 -0.748 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)C[C@@H](C)NCC(=O)NC1CC1 1134130297 FWJDAACOXAKUMW-VXGBXAGGSA-N 322.409 -0.723 30 20 DBED C=CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)Cc1n[nH]c(C)n1 1134356190 NVECVYVRBXDQRX-MNOVXSKESA-N 322.413 -0.169 30 20 DBED C#CCNC(=O)CNCCNC(=O)Cc1ccc(OC)cc1F 1146356218 PPQCAUKZUVFFNR-UHFFFAOYSA-N 321.352 -0.168 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1cccc(OC)n1 1146364303 NEQQANDAIJTGJC-LLVKDONJSA-N 304.350 -0.453 30 20 DBED C=CCN1CCC2(C1)CN(C(=O)[C@@H](CCC(N)=O)NC(C)=O)C2 1148457725 AIXJDOXMCYMUPJ-CYBMUJFWSA-N 322.409 -0.523 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(CC(=O)NCC#C)CCCO1 1149641103 YEJRBKOKJWOUJP-OAHLLOKOSA-N 319.405 -0.254 30 20 DBED C#CCOCCC(=O)NC[C@H]1CN([C@@H](C)C(N)=O)CCCO1 1149721191 JOLGMRAEJHBFFE-STQMWFEESA-N 311.382 -0.893 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cncnc1C(C)C 1151266120 QNUDVIRRVTWAIT-UHFFFAOYSA-N 303.366 -0.331 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@@H](C(C)C)N1CCCC1=O 1153419932 CHSJTCPRHJKPKJ-OAHLLOKOSA-N 324.425 -0.359 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)CN(C)C(=O)C(C)C 1159190020 QMOZCQSFQJAJII-ZDUSSCGKSA-N 324.425 -0.665 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1c[nH]nc1CCC 1161663389 KTFPCZXVFLHNQQ-UHFFFAOYSA-N 305.382 -0.179 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@]12CCC[C@H]1OCC2 1162357705 AJAMLBPOJOHHCB-CJNGLKHVSA-N 307.394 -0.209 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)[C@@H](C)CC(N)=O)C1=O 1163919446 WRCNHJFCKRBUTQ-NWDGAFQWSA-N 310.398 -0.619 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)CCCn1ccnc1 1177351531 HCPKWGMHINQVCK-CQSZACIVSA-N 319.409 -0.103 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2cnc(C)cn2)[C@H]1C 1178046768 ODTNJUHHMWHMIG-STQMWFEESA-N 315.377 -0.273 30 20 DBED C[C@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)c1ccnc(O)c1 1178459825 XWJIEVVUAZJTDD-JQWIXIFHSA-N 317.349 -0.380 30 20 DBED N#CCNC(=O)CNCCCCCCNC(=O)Cn1nccn1 1178588178 RZSCKMKBNWXOSZ-UHFFFAOYSA-N 321.385 -0.816 30 20 DBED C#CCNCCCCCCNC(=O)CC[C@@H]1NC(=O)NC1=O 1180224337 WELWBSPMGZKKLQ-LBPRGKRZSA-N 308.382 -0.126 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2cnccn2)C1 1180736069 KZYCHIKKBVXVPE-NWDGAFQWSA-N 303.366 -0.029 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 1181879058 NDNFNQUQBJZNHZ-GFCCVEGCSA-N 301.350 -0.007 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](N[C@H](C)c2nnnn2C)C1 1182514825 UPBDQRDKBRXQIA-VXGBXAGGSA-N 306.370 -0.499 30 20 DBED C=CCO[C@H](C)C(=O)N1CC[C@@H](NCCN2C(=O)CCC2=O)C1 1188302088 RROYZDBMURFAKN-CHWSQXEVSA-N 323.393 -0.083 30 20 DBED CN(Cc1nc(=O)n(C)[nH]1)[C@@H]1CCN(C(=O)CSCC#N)C1 1188958101 DCNKDDDNOBXZDA-SNVBAGLBSA-N 324.410 -0.602 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@@H]1CCN(C(=O)CC(C)(C)O)C1 1189893154 JMKBRNWKAGUAEH-QWHCGFSZSA-N 309.410 -0.182 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)CC2CCOCC2)C1 1191907453 RPNZJZRFFMRZLT-HUUCEWRRSA-N 310.394 -0.386 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)CC2(C)CCCC2)C1 1192657106 JLSWNXMSQLBKAI-ZIAGYGMSSA-N 321.421 -0.133 30 20 DBED CN1CC[C@@H](CC(=O)N2CC[C@@H](N(C)CC(=O)NCC#N)C2)C1 1193461238 GWOUWXFPMURDJX-UONOGXRCSA-N 321.425 -0.499 30 20 DBED C#CCN(C)[C@H]1CCN(C(=O)CCNC(=O)c2cnccn2)C1 1194097664 DGYWMXOOGMRWPF-ZDUSSCGKSA-N 315.377 -0.238 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)CCOC2CCOCC2)C1 1197666814 IFEPRSTXXOYLFY-HUUCEWRRSA-N 310.394 -0.243 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)CNC(=O)c2ccc(C)s2)C1 1198321425 YLVDAPOYKKGZEW-VXGBXAGGSA-N 321.402 -0.419 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)[C@@H](C)C#N)CCCO1 1200116537 XQFWVNMYWQSZOD-QWHCGFSZSA-N 306.366 -0.897 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)CCCC(=O)NC)CC1 1200195190 VVJKHNOJWKZQON-UHFFFAOYSA-N 324.425 -0.215 30 20 DBED N#CCNC(=O)CNCC1CCN(C(=O)c2cnco2)CC1 1205797962 OPHSIKZGKZIAQC-UHFFFAOYSA-N 305.338 -0.244 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2cnn(C)n2)C[C@H]1C 1206963327 AGINOVFNGCMRGB-YRGRVCCFSA-N 305.382 -0.210 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)c2cnnn2CC)C1 1207982827 HCPGGYDDDADIPW-LBPRGKRZSA-N 320.397 -0.206 30 20 DBED C=C(C)CCN[C@H]1CCCN(C(=O)Cn2cnc(C(N)=O)n2)C1 1208073046 AENSWGCWEXDAFY-LBPRGKRZSA-N 320.397 -0.076 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)Cn2ccnc2C)C1 1211093371 WQXMEQHGTIXTBE-AWEZNQCLSA-N 317.393 -0.478 30 20 DBED CO[C@@H]1CN(CCCS(C)(=O)=O)C[C@H]1NC(=O)[C@H](C)C#N 1212045246 KEEAAJZANJQOOO-IJLUTSLNSA-N 317.411 -0.604 30 20 DBED C=CCOCCN1C[C@@H](NC(=O)[C@@H](C)n2cncn2)[C@H](OC)C1 1212136293 HNGRNSAIUVBSCT-MGPQQGTHSA-N 323.397 -0.143 30 20 DBED C=CCOCCN1C[C@@H](NC(=O)[C@@H](C)CC(N)=O)[C@H](OC)C1 1213264900 JXJIOLKODYJZRQ-YNEHKIRRSA-N 313.398 -0.484 30 20 DBED C#CCN1C[C@@H](NC(=O)CO[C@H](C)c2nccn2C)[C@H](OC)C1 1213793491 CGKVDMZULZWYGJ-MGPQQGTHSA-N 320.393 -0.054 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)Cc2ccc[nH]2)[C@H](OC)C1 1213888211 VYMATDLNVCCZOK-ZIAGYGMSSA-N 318.377 -0.878 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)Cc2nnc(C)o2)C[C@H]1C 1214558492 XDSCBIPGXJXNSD-ZYHUDNBSSA-N 321.381 -0.341 30 20 DBED C=CCCO[C@H](C)C(=O)N[C@@H]1CN(Cc2cnnn2C)C[C@@H]1O 1219324553 SRHLYWSKPPSXOI-BNOWGMLFSA-N 323.397 -0.542 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2cccnc2)C[C@@H]1O 1219602997 NRHFAICDEGEIHO-CFVMTHIKSA-N 303.362 -0.219 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)CCCC2CC2)C1 1220196478 SHLDDVYMPKJVOC-YUELXQCFSA-N 321.421 -0.134 30 20 DBED C=CCCC1(C(=O)N[C@@H]2CN(C[C@@H](O)COC)C[C@@H]2O)CC1 1220283411 YOXWHWQMBIXSFD-MCIONIFRSA-N 312.410 -0.099 30 20 DBED Cc1cc(C(=O)NC2CCN(CC(=O)NCC#N)CC2)n(C)n1 1226285594 VOXHRBAHCVUTOK-UHFFFAOYSA-N 318.381 -0.438 30 20 DBED C=CCN[C@@H]1CCCC[C@H]1NC(=O)CNS(=O)(=O)NC 1227751005 UWSNPFSNRSRHGE-GHMZBOCLSA-N 304.416 -0.757 30 20 DBED C[C@@]1(C(=O)NC2CCN(CC(=O)NCC#N)CC2)CCOC1 1229731361 BEFCVOSSLQTPJW-OAHLLOKOSA-N 308.382 -0.367 30 20 DBED C#CCNC(=O)CC(=O)N(C)C[C@@H]1CCN1Cc1nonc1C 1233808609 CBVPBITZVPCOOA-LBPRGKRZSA-N 319.365 -0.450 30 20 DBED N#CCCCNC(=O)C(=O)NCCS(=O)(=O)CC1CC1 1324309181 QNULNPKETIJBES-UHFFFAOYSA-N 301.368 -0.653 30 20 DBED COC(=O)N1CCN(C(=O)C(=O)N2CC[C@@](F)(C#N)C2)CC1 1324837877 NAHMNGLYBCWBIU-CYBMUJFWSA-N 312.301 -0.639 30 20 DBED O=C(CS[C@@H]1CCS(=O)(=O)C1)N[C@H]1CCCN(O)C1=O 1325089903 VDIZCAOFZZJIFX-BDAKNGLRSA-N 322.408 -0.597 30 20 DBED CN(C[C@H](O)CO)C(=O)C(=O)Nc1ccc(OCC#N)cc1 1326103320 GREZDLSTGPVYGE-NSHDSACASA-N 307.306 -0.661 30 20 DBED C=CCn1nnn(CN(C)CCNS(C)(=O)=O)c1=S 1328176232 AIAHORGOTMZFSV-UHFFFAOYSA-N 306.417 -0.566 30 20 DBED COCCNC(=O)Cn1cc(NC(=O)[C@@H](N)CCCC#N)cn1 1329035146 GGBQFMDHSDEOIW-LBPRGKRZSA-N 322.369 -0.395 30 20 DBED C[C@@H]1CN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)CC[C@@H]1O 1329511713 VAPLQLFKOJZUTO-BNOWGMLFSA-N 320.393 -0.586 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@@H]1CCN(CC)C1=O)[C@H]1CCCO1 1331029579 LSIDLILIEFGEAA-QJPTWQEYSA-N 307.350 -0.980 30 20 DBED C=CCNC(=O)Cn1nnnc1N1CC[C@H](OCCOCC)C1 1334635268 IJXVFDZSNPSIIO-LBPRGKRZSA-N 324.385 -0.393 30 20 DBED C#CCNS(=O)(=O)N1CCN(Cc2nnc(CC)o2)CC1 1336050841 HPORSADHQMRGHB-UHFFFAOYSA-N 313.383 -0.783 30 20 DBED CN(CC(C)(C)O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1340261712 KGAFCMUQDPAKSE-QXMHVHEDSA-N 310.354 -0.075 30 20 DBED C=CCn1c(N2CCN(C(=O)COC)CC2)nnc1C1(O)CC1 1340458837 FOYJJOITUMQOQZ-UHFFFAOYSA-N 321.381 -0.260 30 20 DBED COC(=O)c1nscc1S(=O)(=O)N(CC#N)CC#N 1342406339 KJFUVFSLWMMWRG-UHFFFAOYSA-N 300.321 -0.032 30 20 DBED CCOC(=O)[C@H]1CCCN1C(=O)Cn1cc(C#N)c(O)nc1=O 1362687536 RYABXKRZOYOFJH-SNVBAGLBSA-N 320.305 -0.625 30 20 DBED N#Cc1cn(CCNC(=O)c2cc(C3CC3)[nH]n2)c(=O)nc1O 1363286907 LKFUFYVAPOXFLZ-UHFFFAOYSA-N 314.305 -0.149 30 20 DBED COC(=O)[C@H]1C[C@@H](O)CN1C[C@@H](O)COc1ccccc1C#N 1365321555 KGZVGPMGPUOOEL-MGPQQGTHSA-N 320.345 -0.094 30 20 DBED N#C[C@H]1CN(S(=O)(=O)N2CC[C@H](c3nc[nH]n3)C2)CCO1 1365725658 VSBXRGBOZHSTDS-UWVGGRQHSA-N 312.355 -0.937 30 20 DBED C[C@@H](CNC(=O)Cn1cncn1)NC(=O)c1c[nH]c(C#N)c1 1373103682 YJPNRGYVCBDXHB-VIFPVBQESA-N 301.310 -0.587 30 20 DBED C[C@H](C#N)C(=O)N(CCO)C1CCN(C(=O)c2cc[nH]n2)CC1 1384767626 KWIQHDNQMWGGMH-LLVKDONJSA-N 319.365 -0.005 30 20 DBED C[C@@H](CNC(=O)c1c[nH]c(C#N)c1)NC(=O)c1cn(C)nn1 1386728177 JEITZAPUTHEDID-QMMMGPOBSA-N 301.310 -0.437 30 20 DBED C[C@@H](C#N)C(=O)NCC1CN(C(=O)[C@H]2CCCS2(=O)=O)C1 1387930702 SORKBYKPQZYYOL-GXSJLCMTSA-N 313.379 -0.702 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]1CNC(=O)CN(C)C(=O)C1CC1 1389660823 GRVQHBJJIWHDAY-JQWIXIFHSA-N 306.366 -0.268 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]1CNC(=O)C(C)(C)N1CCOCC1 1389698621 RRUQDVZTKYUVSX-STQMWFEESA-N 322.409 -0.026 30 20 DBED C=C(Cl)CNC[C@@H](O)CNC(=O)[C@H](NC(C)=O)C(C)C 1401591375 ZCAWADNNXAEELQ-VXGBXAGGSA-N 305.806 -0.034 30 20 DBED C=C(Cl)CN1CC[C@H](NC(=O)CNS(=O)(=O)N(C)C)C1 1405030198 MJMIVYHJZYOWFU-JTQLQIEISA-N 324.834 -0.675 30 20 DBED C=C(Cl)CNC[C@@H](O)CNC(=O)c1cnc(N(C)C)cn1 1420128022 NYWBDIRNTMXQIZ-SNVBAGLBSA-N 313.789 -0.025 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)CCN2CCCC2=O)CC1 1433980768 QHHWQVBVKSZZLV-LLVKDONJSA-N 306.366 -0.076 30 20 DBED Cc1n[nH]c(C)c1CC(=O)N(C)C[C@H](O)CNC(=O)[C@@H](C)C#N 1451855394 VJLLMNJPFBVPEB-JOYOIKCWSA-N 321.381 -0.336 30 20 DBED COCCN(CCNC(=O)[C@@H](C)C#N)C(=O)Cc1cnn(C)c1 1488543392 UXAMSKIZCFZJDZ-LBPRGKRZSA-N 321.381 -0.287 30 20 DBED CCO[C@@H](C)C(=O)NC[C@@H](O)CN(C)C(=O)c1cc(C#N)c[nH]1 1511516586 RVQVBMONENBQCD-CMPLNLGQSA-N 322.365 -0.140 30 20 DBED Cc1cc(C#N)cnc1C(=O)N[C@H](Cn1cncn1)C(=O)O 1571069066 BVQYYEVWLAJSGU-SNVBAGLBSA-N 300.278 -0.264 30 20 DBED Cn1c(=O)[nH]c(NC[C@H](C(=O)O)[C@H]2CCOC2)c(C#N)c1=O 1571097837 FYPPWDWFTVDWHN-CBAPKCEASA-N 308.294 -0.906 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](CO)Nc1ccc(-c2nn[nH]n2)nc1 1573577460 PSVWQPONTBNUEK-WCBMZHEXSA-N 316.325 -0.690 30 20 DBED N#Cc1cn(CCC(=O)N[C@@H](CC2CC2)C(=O)O)c(=O)nc1O 1574248109 CNXRBHCAQISPAW-JTQLQIEISA-N 320.305 -0.420 30 20 DBED C[C@@H](OCc1cnn[nH]1)C(=O)N1CCCO[C@H](CNCC#N)C1 1575823560 QZRSWVGWRVDWAJ-DGCLKSJQSA-N 322.369 -0.560 30 20 DBED CS(=O)(=O)N1CC[C@@H](CNC(=O)[C@@H](N)CCCCC#N)C1 1579342173 IQMOOCRNXDMGES-RYUDHWBXSA-N 316.427 -0.205 30 20 DBED C#C[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)OC(C)(C)C 1588370959 RMTSXWHYJKIXHN-BDAKNGLRSA-N 300.311 -0.535 30 20 DBED C#C[C@H]1CCCN(C(=O)C(=O)N2CC[C@](COC)(C(=O)O)C2)C1 1588385274 BZDGDYGAJSWRNH-LRDDRELGSA-N 322.361 -0.192 30 20 DBED C#CC[C@@H](NC(=O)[C@H](C)N1C(=O)NC2(CCCC2)C1=O)C(=O)O 1588399641 WGZGBMBAGMOAFZ-VHSXEESVSA-N 321.333 -0.168 30 20 DBED C#CCCCS(=O)(=O)NC[C@]1(C(=O)O)C[C@@H]1S(C)(=O)=O 1588447353 WRVAGULQJBFSDH-GXSJLCMTSA-N 323.392 -0.793 30 20 DBED C=CCn1cc(C(=O)NCc2ccnc(-c3nn[nH]n3)c2)nn1 1588712614 ANTBYWPMGHOTGW-UHFFFAOYSA-N 311.309 -0.031 30 20 DBED C[C@H](C(=O)O)N(C1CCC1)S(=O)(=O)N1CCO[C@H](C#N)C1 1589478973 MHYWDMIQHUBAHR-MWLCHTKSSA-N 317.367 -0.217 30 20 DBED N#Cc1nc(=NCCNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)cc[nH]1 1592709503 GZEOOEKKNMCWJE-UHFFFAOYSA-N 324.308 -0.880 30 20 DBED N#Cc1nc(=NCCNc2ccc(-c3nn[nH]n3)cn2)cc[nH]1 1592710124 WMXHFQQIVIKONS-UHFFFAOYSA-N 308.309 -0.131 30 20 DBED N#CC1(C(=O)N[C@@H]2CCCCN(CC(=O)O)C2=O)CCOCC1 1594601261 KWPPWLZJUTZDJH-LLVKDONJSA-N 323.349 -0.111 30 20 DBED CN(CCC#N)S(=O)(=O)N[C@]1(CC(=O)O)CCCOC1 1598468999 PEOZZCQTGGMQQP-NSHDSACASA-N 305.356 -0.310 30 20 DBED C#C[C@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)C1CCOCC1 1602688159 HHRZHRHVKSFSTD-JTQLQIEISA-N 316.325 -0.997 30 20 DBED C=CCOC[C@@H](NC(=O)CCc1nc(N(C)C)no1)C(=O)O 1602909803 IBBMVLCKWZAGGW-SECBINFHSA-N 312.326 -0.160 30 20 DBED CN1CCOC[C@@H]1CNc1cnc(C#N)c(-c2nn[nH]n2)n1 1604867460 JZFJXOQTHZNSGN-QMMMGPOBSA-N 301.314 -0.729 30 20 DBED C[C@@]1(C#N)CCCN(C(=O)Cn2cnc(-c3nn[nH]n3)n2)C1 1609142393 XGJKYHSFOQCYKG-LBPRGKRZSA-N 301.314 -0.390 30 20 DBED N#Cc1ncn(CC(=O)N2CC[C@H](NC(=O)NC3CC3)C2)n1 1645677989 KUGYDHIESZBLET-JTQLQIEISA-N 303.326 -0.788 30 20 DBED C=CCNC(=O)CN[C@H]1C[C@H](NC(=O)c2cccn(C)c2=O)C1 1752683526 YMKJOVVUOCEBMI-HAQNSBGRSA-N 318.377 -0.462 30 20 DBED C=CCNC(=O)CN[C@H]1C[C@@H](NC(=O)[C@H]2CCNC(=O)C2)C1 1752748973 JCENDTBBTOGTRG-SDDRHHMPSA-N 308.382 -0.948 30 20 DBED C=CCNC(=O)CN[C@H](C)CNC(=O)c1nc(C)c(C)nc1O 1752886046 ZEAWGCKKVNLWKJ-SECBINFHSA-N 321.381 -0.191 30 20 DBED C#CCO[C@H](C)C(=O)NC1CN([C@H](C)c2nnnn2C2CC2)C1 1753378017 TXLZJAQPAGAOPJ-GHMZBOCLSA-N 318.381 -0.092 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H](CC)CNC(=O)c1cnn(C)c1N 1753473105 PWDCALBLELPQAW-MNOVXSKESA-N 322.413 -0.209 30 20 DBED C=CCCNC[C@H]1CCC[C@@H]1NC(=O)CN1C(=O)CNC1=O 1753897485 KLRGPKUTOYVJML-NEPJUHHUSA-N 308.382 -0.011 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@H](C)NC(=O)c1n[nH]c2c1CCC2 1754273931 LNXJZQGZEBTODN-WDEREUQCSA-N 317.393 -0.256 30 20 DBED C#CCNC(=O)CNC1(CNC(=O)c2cncc(C#C)c2)CC1 1754524493 HLXZDGVBLXGXLE-UHFFFAOYSA-N 310.357 -0.336 30 20 DBED N#CCNC(=O)CNC1(CNC(=O)[C@H]2C[C@@]23CCOC3)CC1 1754531075 OJFJQGLPBCECMF-BXUZGUMPSA-N 306.366 -0.709 30 20 DBED C#CCOCCC(=O)N1CC[C@](C)(CN[C@@H](C)C(=O)NC)C1 1754694582 GQCZQXIHSVPSTC-XJKSGUPXSA-N 309.410 -0.011 30 20 DBED C#CCCCC(=O)N1CCOC2(C1)CN([C@H](C)C(=O)NC)C2 1755049858 UILNKDKGYFUFGH-CYBMUJFWSA-N 307.394 -0.162 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)c2n[nH]c(C)c2C)C[C@@H]1C 1755104668 IJKWFNCBCJIPLG-GXFFZTMASA-N 317.393 -0.174 30 20 DBED C#CCCNCC1CC(NC(=O)[C@@H](C)NS(C)(=O)=O)C1 1755217900 LLSYAVHCHFVPBF-VOMCLLRMSA-N 301.412 -0.568 30 20 DBED COCC#CCN1C[C@@H]2C(CNC(=O)CNC(=O)OC)[C@H]2C1 1755417738 JJDJPHBGOOARQE-CHWSQXEVSA-N 309.366 -0.714 30 20 DBED C#CCCN1C[C@H]2C(CNC(=O)CN3CCC(=O)NC3=O)[C@@H]2C1 1755434183 OUSUVFRQFYZDEF-STQMWFEESA-N 318.377 -0.754 30 20 DBED C[C@@H]1C[C@H](NCCS(C)(=O)=O)CN1C(=O)CSCC#N 1755668687 GPFRYGGJOAWVKN-MNOVXSKESA-N 319.452 -0.133 30 20 DBED CC(C)C#CC(=O)N[C@H](C)CN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 1756453436 NVQMWURLJRAYSQ-MNOVXSKESA-N 322.365 -0.793 30 20 DBED C=CCCC(=O)N(C)C[C@@H](O)CNC(=O)c1cn(C)ccc1=O 1756656102 QEFQBZGYNZMTRN-LBPRGKRZSA-N 321.377 -0.099 30 20 DBED C=C(C)C[C@@H](C)C(=O)NC[C@H](O)CN(C)C(=O)c1ncn(C)n1 1756660994 PYCPGGDPRIZFGI-NEPJUHHUSA-N 323.397 -0.034 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@H](NC(=O)c2cncnc2O)C1 1757185551 SZMVYSJKWRHJSB-NEPJUHHUSA-N 318.333 -0.857 30 20 DBED N#CCC(=O)N1CC[C@@H](CNC(=O)C(O)O)[C@@H]1c1cccnc1 1802917279 OGLBOSGXPKHMPK-AAEUAGOBSA-N 318.333 -0.688 30 20 DBED CN(C)C(=O)NCC(=O)N1CCCC12CN(C(=O)CC#N)C2 1841133889 LCGMAXKMIJTTHY-UHFFFAOYSA-N 307.354 -0.625 30 20 DBED C=CCC(F)(F)C(=O)N1CCCC12CN(C(=O)[C@@H](N)CN)C2 1846011503 UUKYKZDRLQINFL-JTQLQIEISA-N 316.352 -0.313 30 20 DBED C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cnn(C)c1 49336021 XEPYXYWJGNNEQJ-SNVBAGLBSA-N 319.408 -0.216 30 20 DBED Cn1c(NCC(=O)NCC(F)(F)F)c(C#N)c(=O)n(C)c1=O 52431013 WEURSZWOWUIXOB-UHFFFAOYSA-N 319.243 -0.954 30 20 DBED C#CCN1CCC(C(=O)NCCNC(=O)c2ccn[nH]2)CC1 180918213 UFTRFZSENULNCU-UHFFFAOYSA-N 303.366 -0.399 30 20 DBED C/N=C(/NCCNS(C)(=O)=O)N[C@@H]1CN(C2CC2)C[C@@H]1C 261663703 BDVYNYQQGYHPNY-CMPLNLGQSA-N 317.459 -0.817 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1CCN(c2nccn2C)CC1 266892846 DJBYSFKVXNXKBR-LBPRGKRZSA-N 320.397 -0.058 30 20 DBED C[C@H](O)CN1CCN(S(=O)(=O)c2cncc(C#N)c2)CC1 289369265 BCXDGMVYFWHEFC-NSHDSACASA-N 310.379 -0.360 30 20 DBED N#Cc1ccc(S(=O)(=O)NCC(=O)NC[C@@H]2CCOC2)cc1 289855873 CMBUBRSJUKEYPI-LBPRGKRZSA-N 323.374 -0.011 30 20 DBED CN1C[C@H](N/C(O)=N/CCC(=O)N2CCOCC2)CCC1=O 329469972 XWECSNPCTSRSND-LLVKDONJSA-N 312.370 -0.640 30 20 DBED COCc1nc2n(n1)C[C@@H](/N=C(/O)N1CCN=C(O)C1)CC2 329686239 BGNSIIUDULWRDX-VIFPVBQESA-N 308.342 -0.075 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@]1(O)CCO[C@H]1C 330373355 BFBDVGMNWYQXSQ-GRYCIOLGSA-N 305.400 -0.158 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1CCC[C@@](C)(O)C1 330376964 POONHYSWXKQZDA-GFCCVEGCSA-N 305.400 -0.060 30 20 DBED C[C@H](C(=O)N(C)CCC#N)N1CCO[C@@H](Cn2cncn2)C1 330649752 JFPXLJZSAUZADX-CHWSQXEVSA-N 306.370 -0.261 30 20 DBED C/N=C(/O)NC(=O)CN1CCN(CCC(=O)OC)C[C@H]1C 330706925 PADPHVWLODXTND-SNVBAGLBSA-N 300.359 -0.784 30 20 DBED COC(=O)C[C@H]1CCCN1S(=O)(=O)N1CCO[C@@H](C#N)C1 336931322 BOUASUKCQPWBIF-MNOVXSKESA-N 317.367 -0.517 30 20 DBED C=CC[C@@H](CO)CNC(=O)NCCNC(=O)c1cnccn1 341803812 YNLNUAYNQQYEJA-LLVKDONJSA-N 307.354 -0.310 30 20 DBED N#Cc1ncn(CCNC(=O)c2ccc3c(c2)C(=O)NC3=O)n1 342880025 FXLBQEPCBVOEHM-UHFFFAOYSA-N 310.273 -0.537 30 20 DBED CC(C)[C@H](NC(=O)c1ccco1)C(=O)NCC(=O)NCC#N 343541127 LDRNIKCMLUCGFK-LBPRGKRZSA-N 306.322 -0.210 30 20 DBED N#CCN(CC#N)C(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 346774932 IQMVNIJCTMFLIJ-FPQZTECRSA-N 316.317 -0.585 30 20 DBED N#CCCN(CCN1CCOCC1)C(=O)[C@@H]1CC[C@@H](C(N)=O)O1 354094296 URIFTZJFPMJPJF-STQMWFEESA-N 324.381 -0.906 30 20 DBED CN1CC[C@@](O)(CNC(=O)C(=O)Nc2cccc(C#N)c2)C1 358132390 YBUWPWRDJDDDRH-OAHLLOKOSA-N 302.334 -0.320 30 20 DBED C=CCNC(=O)CNC(=O)C(=O)Nc1cccc2c1OCO2 360721381 KILHWFLIXZYQHE-UHFFFAOYSA-N 305.290 -0.228 30 20 DBED CNS(=O)(=O)[C@@H]1CCN(CC(=O)N[C@@](C)(C#N)C(C)C)C1 366719971 NXFPOWPDHZGGDT-YPMHNXCESA-N 316.427 -0.336 30 20 DBED N#C[C@H]1CC[C@@H](N2CCN(C(=O)C(=O)N3CCOCC3)CC2)C1 407986632 ATGCTOSCXZSXTN-UONOGXRCSA-N 320.393 -0.318 30 20 DBED C=CCOC[C@H](NC(=O)[C@@H](C)N1CCN(C)CC1)C(=O)OC 435951318 WJZHZGJXGSICQR-OLZOCXBDSA-N 313.398 -0.517 30 20 DBED C#CCN1CCN(C(=O)CSc2nc(N)cc(N)n2)CC1 490779126 RKGTYHBZIFHTEN-UHFFFAOYSA-N 306.395 -0.490 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)C[C@H]2CCCCO2)CC1 491220510 OCKFMSPLQMHXIS-CQSZACIVSA-N 307.394 -0.161 30 20 DBED C#CCN(C)CCCNC(=O)c1cc(S(N)(=O)=O)cnc1C 491451233 FBQVJDJLKUQMTJ-UHFFFAOYSA-N 324.406 -0.278 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CCOC[C@H]2C)CC1 491815125 UJERFJRCOLZIRL-ZIAGYGMSSA-N 307.394 -0.447 30 20 DBED N#Cc1ncn(CC(=O)NCCNC(=O)c2ccc(F)cc2)n1 495085686 OXSGLRRHOSZBST-UHFFFAOYSA-N 316.296 -0.165 30 20 DBED CC(=O)N1CCN(C(=O)CCNC(=O)NCC2(C#N)CC2)CC1 518289102 RKDNNEOIBMYHJZ-UHFFFAOYSA-N 321.381 -0.330 30 20 DBED C[C@@H](CC(=O)O)N(CCO)S(=O)(=O)c1ccc(C#N)nc1 548233258 FNOLZLCVBMNGNT-VIFPVBQESA-N 313.335 -0.201 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@H](CC(=O)O)C(=O)O 563226079 IWSFPVYZJJEULK-JGVFFNPUSA-N 307.328 -0.770 30 20 DBED N#C[C@H]1CN(S(=O)(=O)NC2(C(=O)O)CCCC2)CCO1 566845085 NDGFCYQODRXQLF-VIFPVBQESA-N 303.340 -0.557 30 20 DBED Cn1nnc2cc(S(=O)(=O)N3CCO[C@@H](C#N)C3)ccc21 592027809 RLTABBDVBFAORP-VIFPVBQESA-N 307.335 -0.119 30 20 DBED CCN(C[C@H](C)C#N)C(=O)Cn1cnc2c(nnn2C)c1=O 592353925 RGCFMSNWDFKIPR-SECBINFHSA-N 303.326 -0.467 30 20 DBED CC(C)(C)n1nnc(CNC(=O)NCCn2cnc(C#N)n2)n1 594248766 QYYYIHZOTGBGBQ-UHFFFAOYSA-N 318.345 -0.609 30 20 DBED N#CCCn1ccc(NC(=O)NCc2nc(C(N)=O)co2)n1 596753093 MPGFCEVXOVCFSL-UHFFFAOYSA-N 303.282 0.205 30 20 DBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H](C#N)CO 597740954 JJDLKTBBNVMRLF-ONGXEEELSA-N 322.346 -0.774 30 20 DBED N#CCNC(=O)CNC(=O)NC[C@H]1CCCN1CC(F)F 599150310 KSRNBLZDTAWZPA-SECBINFHSA-N 303.313 -0.345 30 20 DBED CCN(CCC#N)C(=O)Cn1cc(CN2CCN(C)CC2)nn1 603209992 UJTNMGTYGUVZON-UHFFFAOYSA-N 319.413 -0.212 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)NCC(=O)NC1CCCC1 619709089 LORHGCXUVXECEF-SNVBAGLBSA-N 302.400 -0.029 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@H]1CCN(C)C(=O)C1 619714164 AAKNRNRYUUMKRW-QWRGUYRKSA-N 302.400 -0.077 30 20 DBED C=CCOC[C@H](NS(=O)(=O)C[C@@H](OC)C1CC1)C(=O)O 646046717 OSTSJBYYUWONCP-WDEREUQCSA-N 307.368 -0.013 30 20 DBED CCC[C@H](C#N)NC(=O)C(=O)c1cc(S(N)(=O)=O)cn1C 667763321 WFIVYYNOAIYMJW-MRVPVSSYSA-N 312.351 -0.336 30 20 DBED C=CC1CCN(c2c(-c3nn[nH]n3)c(=O)n(C)c(=O)n2C)CC1 735409386 DTTQBMVFWLYPGU-UHFFFAOYSA-N 317.353 -0.334 30 20 DBED COC(=O)[C@@]1(C)CCN(C(=O)C(=O)Nc2cnn(CC#N)c2)C1 746436953 YBNJUFSXYILCGQ-AWEZNQCLSA-N 319.321 -0.243 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2cc(C)nnc2C)CC1 767412688 YEAZHBLZAIZYLI-UHFFFAOYSA-N 315.377 -0.399 30 20 DBED C[C@@H]1CN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C[C@H]1O 768827502 TVHJUFIKTKGYRP-MWLCHTKSSA-N 323.374 -0.436 30 20 DBED C#C[C@H](NC(=O)Cn1[nH]cc2c(=O)ncnc1-2)[C@H]1CCCO1 775329758 NEKDPRNKNCIRDV-WDEREUQCSA-N 301.306 -0.632 30 20 DBED C=C(Br)CNC(=O)NCCN1CCNC(=O)C1 781401038 VMUFXJKFUMRAOE-UHFFFAOYSA-N 305.176 -0.374 30 20 DBED C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N[C@H]1CNC(=O)C1 784867210 GILQPSCJUSRARC-NXEZZACHSA-N 316.317 -0.079 30 20 DBED C#CCOCCNC(=O)Nc1ccc(S(=O)(=O)NC)cn1 792393484 KZFFURWGHLXHKQ-UHFFFAOYSA-N 312.351 -0.239 30 20 DBED C=CCNC(=O)[C@H](C)OC(=O)CCC[C@@]1(C)NC(=O)NC1=O 801433418 JQVONQUBGXCEBD-LKFCYVNXSA-N 311.338 -0.011 30 20 DBED C#CCCCNC(=O)C(=O)N1CC(=O)N(CC(F)(F)F)C1 806909540 CRMNKXWUVCRFPH-UHFFFAOYSA-N 305.256 -0.293 30 20 DBED N#Cc1cncc(S(=O)(=O)NC(=O)c2ccc(C(N)=O)o2)c1 813981481 CDGAHLLZYMASTP-UHFFFAOYSA-N 320.286 -0.236 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2ccc(C#N)o2)CC1 814110487 RDOLWOAFLYPJSR-UHFFFAOYSA-N 300.318 -0.342 30 20 DBED C=C[C@H](O)C(=O)OCC(=O)N(CCC(N)=O)Cc1ccccc1 814549697 GLVZPBVEJCIQEN-ZDUSSCGKSA-N 320.345 -0.019 30 20 DBED Cc1cc(C#N)cnc1C(=O)NS(=O)(=O)N1CCOCC1 815962998 KBRLPLRUCDUSKR-UHFFFAOYSA-N 310.335 -0.432 30 20 DBED CC(C)C#CC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 820057989 JYZJLBSCLANDTI-UHFFFAOYSA-N 321.377 -0.825 30 20 DBED CCN(CC)CC#C[C@H](C)OC(=O)Cn1cnc(C(N)=O)n1 845494275 AJLASNYXDKHMLZ-NSHDSACASA-N 307.354 -0.346 30 20 DBED CS(=O)(=O)N1CCCC[C@H]1C(=O)N[C@H]1CCCN(O)C1=O 848137203 APONWUSHNLHKAM-UWVGGRQHSA-N 319.383 -0.703 30 20 DBED C#CCN(CC(=O)O)S(=O)(=O)c1cnn([C@@H]2CCOC2)c1 849219154 KCNXZAKPYXXCOA-SNVBAGLBSA-N 313.335 -0.447 30 20 DBED C#C[C@H](NS(=O)(=O)c1cc(C(=O)OC)no1)[C@H]1CCCO1 859114243 GPHCLVHQNPZMIS-WCBMZHEXSA-N 314.319 -0.080 30 20 DBED CN(C)CC#CCNC(=O)c1cccc(CS(N)(=O)=O)c1 913517435 ATYXHHISHSQNBL-UHFFFAOYSA-N 309.391 -0.230 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(N(C)C(=O)Cn2nccn2)CC1 953964297 JEEZVLUHQULMHQ-NSHDSACASA-N 304.354 -0.113 30 20 DBED C=C(C)CN1C[C@@H](O)[C@@H](CNC(=O)c2ccc(C(N)=O)o2)C1 958239017 IRNVJJRRBIPYHE-WDEREUQCSA-N 307.350 -0.023 30 20 DBED C#CCCN1C[C@@H](O)[C@@H](CNC(=O)c2ccnc3[nH]nnc23)C1 958248917 QIGUMELAGBTNRC-CMPLNLGQSA-N 314.349 -0.601 30 20 DBED C#CCN1C[C@H](CNC(=O)c2cnc3c(c2)nnn3C)[C@@H](O)C1 958268356 UNUODPAAYPBILV-AAEUAGOBSA-N 314.349 -0.981 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H]2CN(C(=O)c3ccnn3C)C[C@@H]21 960879388 BSSUHLISTFMXCS-KGYLQXTDSA-N 317.349 -0.368 30 20 DBED C=CCCN1C[C@H]2[C@H](NC(=O)c3cnc(O)n(C)c3=O)[C@H]2C1 961462836 YGDXDDRNOUVZTJ-GDNZZTSVSA-N 304.350 -0.278 30 20 DBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1[C@@H]2CN(CC(N)=O)C[C@@H]12 961994953 LAIOIBRNKOTYGU-YFCNSXCBSA-N 307.394 -0.111 30 20 DBED C#CCCN1C[C@H]2C(NC(=O)[C@@H]3COCCN3C(C)=O)[C@@H]2C1 962613530 FXPBGUXMKQJTQY-MCIONIFRSA-N 305.378 -0.697 30 20 DBED C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2O)CCN1C 964628683 FIPMFKOZBZBGOO-NGFQHRJXSA-N 319.405 -0.572 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(C[C@H](NC(=O)c3ccncn3)CO2)C1 965783758 WMAQPSKPIPCZAW-QWRGUYRKSA-N 315.333 -0.264 30 20 DBED C[C@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)c1cc(=O)n(C)o1)C2 969805933 OQIMHODPQWLTFK-VWYCJHECSA-N 318.333 -0.047 30 20 DBED C#CCN1C[C@H]2CC[C@H]1CN2C(=O)Cn1nc(C)ccc1=O 972039176 FGWSDVJCDZKWLK-UONOGXRCSA-N 300.362 -0.140 30 20 DBED C#CCCN1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCNC3=O)C2)C1 972419328 CZXVTQDVPINFQI-PBHICJAKSA-N 319.405 -0.161 30 20 DBED C[C@@H]1CCN(C(=O)C(=O)N2CC[C@]3(CN(CC#N)CCO3)C2)C1 972629882 FHAQPIXQMHJRFH-CJNGLKHVSA-N 320.393 -0.318 30 20 DBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1[C@@H]2CN(C(=O)C(N)=O)C[C@@H]21 976582310 WISFKJLIEAREGU-YYHQMBLXSA-N 321.377 -0.584 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](CNC(=O)c2cc(C(N)=O)c[nH]2)C1 983212866 SBUXYEJWLOCZAQ-VHSXEESVSA-N 317.349 -0.148 30 20 DBED C#CCN[C@H]1C[C@@H](C)N(C(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 989272172 LTYZYLWEZPWDSC-KOLCDFICSA-N 314.353 -0.480 30 20 DBED N#Cc1c[nH]c(C(=O)NC2CN(C(=O)[C@H]3CCC(=O)NC3)C2)c1 990724721 YUSPRHMEHRTFDQ-JTQLQIEISA-N 315.333 -0.647 30 20 DBED N#Cc1ccc(C(=O)NC2CN(C(=O)[C@@H]3COCCO3)C2)[nH]1 990883942 GAGIAOXSWSRVNA-LBPRGKRZSA-N 304.306 -0.758 30 20 DBED Cc1c[nH]nc1C(=O)N[C@@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1O 991469004 ISLHPACJQIZPLL-OLZOCXBDSA-N 316.361 -0.177 30 20 DBED Cn1cnn(CC(=O)N2C[C@H]3[C@@H](NCC#N)CCC[C@H]3C2)c1=O 992743000 QRBXPQNOISYGNC-XQQFMLRXSA-N 318.381 -0.678 30 20 DBED C=CCNC1CCN(C(=O)[C@@H]2CCN(C)S2(=O)=O)CC1 997078983 DETATQQPNRAWJJ-LBPRGKRZSA-N 301.412 -0.213 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H](C)C1CCN(CC(N)=O)CC1 997148803 KENVQZLWXXUOMR-HIFRSBDPSA-N 320.437 -0.214 30 20 DBED Cc1c[nH]c(CC(N)=O)c1C(=O)NC1CN(C(=O)[C@@H](C)C#N)C1 1000350786 DPXYNYWAMNOZEV-QMMMGPOBSA-N 317.349 -0.549 30 20 DBED CN(C[C@H]1CCCN1C(=O)C#CC1CC1)C(=O)[C@H]1COC(=O)N1 1002483741 BKAJHUFSDSCHMI-CHWSQXEVSA-N 319.361 -0.042 30 20 DBED C=C1CCC(C(=O)NCC2CN(C(=O)[C@H]3CNC(=O)N3)C2)CC1 1004120292 URHHFNIZCXTFTM-CYBMUJFWSA-N 320.393 -0.011 30 20 DBED CC1(C)CN(C(=O)C(N)=O)C[C@@H]1NC(=O)c1c[nH]c(C#N)c1 1008074419 ITIKTQZLOLVZJY-JTQLQIEISA-N 303.322 -0.662 30 20 DBED CC1(C)CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)[C@@H]1CNC(=O)N1 1008517274 SHZWCMYFBHKRMQ-NWDGAFQWSA-N 318.377 -0.566 30 20 DBED C=CCn1cc(C(=O)N[C@@H](C)[C@@H]2CN(C(C)=O)CCO2)nn1 1009593139 POKOIZOQKMAUNO-GWCFXTLKSA-N 307.354 -0.170 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C(=O)c2ccc3nn[nH]c3n2)CC1 1011277292 LYWMBIZMGSNANH-VIFPVBQESA-N 313.321 -0.203 30 20 DBED O=C(NC1[C@H]2CN(C(=O)C#CC3CC3)C[C@H]12)C1=COCCO1 1012721279 BUKZMAYTTASBQM-RYUDHWBXSA-N 302.330 -0.139 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2C(NC(=O)c3cccc(=O)n3C)[C@@H]2C1 1013758080 NSDHOQHGDBQQKT-GMTAPVOTSA-N 314.345 -0.268 30 20 DBED CC[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1025046713 GXKKMMOEALLNBP-TUVASFSCSA-N 320.389 -0.097 30 20 DBED CC#CCN1[C@H]2CC[C@H]1CN(C(=O)CN1C(=O)CN(C)C1=O)C2 1029577279 LAOKOLZJVJKGJY-STQMWFEESA-N 318.377 -0.421 30 20 DBED C=CCn1cc(C(=O)NC2CN(Cc3nncn3C)C2)nn1 1031070059 MWDDKERPGMQBHX-UHFFFAOYSA-N 302.342 -0.793 30 20 DBED N#CCN1CCC2(CCN(C(=O)CN3C(=O)CCC3=O)CC2)C1 1035253692 VKKOTQPCNBLELU-UHFFFAOYSA-N 318.377 -0.027 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)[C@H]2CCc3c[nH]nc3C2)C1 1035611079 QQKFEUDSNBPQNU-JSGCOSHPSA-N 302.378 -0.035 30 20 DBED CC1(C)NC(=O)N(CC(=O)N[C@@H]2[C@H]3C[C@H]2N(CC#N)C3)C1=O 1037700720 FNSGCQCXNBDAHK-IQJOONFLSA-N 305.338 -0.971 30 20 DBED C=CCCN1CC[C@@H]1CNC(=O)C1CC2(C1)NC(=O)NC2=O 1038803557 GSFHLFNBSLQIGV-LOIXOFCESA-N 306.366 -0.259 30 20 DBED Cc1c[nH]nc1C(=O)NC[C@@]1(O)CCN(C(=O)[C@H](C)C#N)C1 1039668956 DOJYPDGBJCLAJH-OTYXRUKQSA-N 305.338 -0.429 30 20 DBED CC[C@@H](C(=O)N1CC[C@@](O)(CNC(=O)C#CC2CC2)C1)N(C)C 1039680601 JMGBMTRIMLAQRS-WMLDXEAASA-N 321.421 -0.180 30 20 DBED CCn1nccc1C(=O)NCC1(O)CN(C(=O)[C@@H](C)C#N)C1 1042750201 IZVSVOBJAJXGPR-JTQLQIEISA-N 305.338 -0.634 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)[C@@H](OC)C2CC2)C1 1042844162 ZNPGLTSBEQGVMF-AWEZNQCLSA-N 324.377 -0.859 30 20 DBED CC(C)(C)OCC(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042958221 HGAIXBXQWNIPLP-UHFFFAOYSA-N 308.378 -0.096 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)Cc2n[nH]c(C)n2)C1 1042969155 RJKJGVCWENFVJX-UHFFFAOYSA-N 319.365 -0.851 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)[C@H]2CCCC(=O)N2)C1 1043513619 JAZQKYPBSLYRCH-LLVKDONJSA-N 309.366 -0.689 30 20 DBED C=CCN1CC[C@H](N2CCN(C(=O)[C@H]3CCNC(=O)C3)CC2)C1 1046020359 RDYGZBWAEBFGKI-GJZGRUSLSA-N 320.437 -0.083 30 20 DBED C=CC(C)(C)C(=O)N1CCN([C@H]2CCN(CC(N)=O)C2)CC1 1046052383 XFYAAIRCEVJCBP-ZDUSSCGKSA-N 308.426 -0.098 30 20 DBED C#CCN1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CN(C)C(=O)N2)C1 1046965328 JZTIJONRAMERLH-WDEREUQCSA-N 314.336 -0.283 30 20 DBED CN(C(=O)Cc1cn2ccccc2n1)[C@H]1CN(CC#N)C[C@@H]1O 1047432014 UGKNKSQHNYPDGX-KBPBESRZSA-N 313.361 -0.096 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CN(C)C(=O)N2)C1 1047486641 LXWUMTIICRZCID-DCAQKATOSA-N 316.789 -0.734 30 20 DBED C#Cc1ccc(C(=O)N(C)[C@H]2CN([C@@H](C)C(N)=O)C[C@@H]2O)cn1 1047599431 VABCUBXBNORKHP-BPNCWPANSA-N 316.361 -0.946 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC(=O)N2)C1 1049139986 OZIGGJPOYKKIMI-SRVKXCTJSA-N 309.366 -0.739 30 20 DBED N#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1ccc(O)nc1=O 1049581342 YZGUQEFOYHGDJX-VXGBXAGGSA-N 317.349 -0.462 30 20 DBED Cc1ccc(=O)n(CC(=O)N2CCC[C@H]3CN(CC#N)C[C@H]32)n1 1050189539 XUQCRCBZVVFFLB-UONOGXRCSA-N 315.377 -0.002 30 20 DBED C#CCN1CCN([C@@H]2CCN(C(=O)c3cnn(C)c3)C2)CC1 1051978526 VGJLJKGBSCVVTM-OAHLLOKOSA-N 301.394 -0.115 30 20 DBED C=CCN1CCN([C@@H]2CCN(C(=O)[C@@]3(C)CNC(=O)C3)C2)CC1 1052056698 HAVFLMUGNJPPPS-RHSMWYFYSA-N 320.437 -0.083 30 20 DBED C=CCOCC(=O)N1C[C@H](C)[C@H](CNC(=O)c2cn(C)nn2)C1 1052221944 VYPILRLFCSSMFE-NWDGAFQWSA-N 321.381 -0.158 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)[C@H]1C[C@@H]1C(=O)OC)CCO2 1053185662 QKMBFFVBEGQTOF-STQMWFEESA-N 306.362 -0.268 30 20 DBED C#CCN1CC2(C1)CN(C(=O)c1cn(C)ccc1=O)CCO2 1053335588 HNTUPFXXDAAFNK-UHFFFAOYSA-N 301.346 -0.455 30 20 DBED N#CCN1CC2(C1)CN(C(=O)[C@H]1CCC[C@H](C(N)=O)C1)CCO2 1053452931 JHEVDYJIWADGIL-STQMWFEESA-N 320.393 -0.285 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)[C@@H]3COCCN3C)CO2)C1 1053782101 FHZSWVPDVBNNAC-KGLIPLIRSA-N 307.394 -0.700 30 20 DBED C=C(C)CN1CC2(C[C@H](NC(=O)Cn3ncn(C)c3=O)CO2)C1 1053851984 DWFPQECJLSQQJQ-LBPRGKRZSA-N 321.381 -0.883 30 20 DBED CS(=O)(=O)CC(=O)N1CCN(c2ccncc2C#N)CC1 1055734547 ZQTMEJZBANZBHW-UHFFFAOYSA-N 308.363 -0.354 30 20 DBED CN1CC[C@H](C(=O)N2CCN(c3ccnc(C#N)n3)CC2)C1 1055818747 VOHQYDCXTAPINB-LBPRGKRZSA-N 300.366 -0.051 30 20 DBED C[C@@H](C#N)C(=O)N[C@]1(CO)CCCN(C(=O)Cn2cccn2)C1 1056093835 OCXAHFDXDJVHLQ-SWLSCSKDSA-N 319.365 -0.488 30 20 DBED C[C@H](C#N)C(=O)N[C@@]1(CO)CCCN(C(=O)c2cccnn2)C1 1056097634 SRSLTIHTDQFOPS-ABAIWWIYSA-N 317.349 -0.280 30 20 DBED CN(c1cncc(C#N)n1)[C@H]1CCN(C(=O)CS(C)(=O)=O)C1 1056867517 VRNHBCGNIAUIIS-NSHDSACASA-N 323.378 -0.570 30 20 DBED CN(c1nccnc1C#N)[C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1 1056872902 BRAKDNNYVSLLFN-GHMZBOCLSA-N 314.349 -0.336 30 20 DBED N#Cc1cnc(N2CCCN(C(=O)[C@@H]3CCNC3=O)CC2)cn1 1057204917 RWLXZSGUMLHWRO-GFCCVEGCSA-N 314.349 -0.477 30 20 DBED Cc1[nH]nc(C(=O)N(CCO)CCNC(=O)C#CC2CC2)c1C 1057238388 JWKFNRTXCLVESF-UHFFFAOYSA-N 318.377 -0.009 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)c1cccc(O)n1 1057278639 KUUQQVIBDCTSQH-SNVBAGLBSA-N 306.322 -0.502 30 20 DBED Cc1cnc(C(=O)NCCN(CCO)C(=O)C#CC(C)C)cn1 1057517187 KXVVTAAVMVAOBZ-UHFFFAOYSA-N 318.377 -0.005 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)CN1CC[C@@H](C)C1 1057524655 LSYZXULVRZUPPY-OAHLLOKOSA-N 323.437 -0.075 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)C[C@@H]1CCCC(=O)N1 1058206578 NQCMDZYYFYOURD-NEPJUHHUSA-N 324.381 -0.858 30 20 DBED C=C(C)C(C)(C)C(=O)N(CCO)CCNC(=O)c1cnnn1C 1058286218 GGOVAMBXJHDSNF-UHFFFAOYSA-N 323.397 -0.032 30 20 DBED CC#CCCCC(=O)N(CCO)CCNC(=O)c1[nH]nnc1C 1058444459 RTLSMQFNGNAPAO-UHFFFAOYSA-N 321.381 -0.143 30 20 DBED C#Cc1cncc(C(=O)N2CCOC[C@@H]2CNC(=O)COC)c1 1061203462 ZYAKRSLCTACEQL-AWEZNQCLSA-N 317.345 -0.334 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCOC[C@@H]1CNC(=O)COCC 1061242195 MBMYOPHEYANGSP-WFASDCNBSA-N 314.382 -0.306 30 20 DBED C=CCCOCC(=O)N1CCOC[C@H]1CNC(=O)c1nc[nH]n1 1061766338 HOSBEZVZHOMMTJ-LLVKDONJSA-N 323.353 -0.645 30 20 DBED CN(C(=O)c1ncn(C)n1)[C@H]1CCN(c2cnc(C#N)cn2)C1 1062926464 CHLNLKDMWRTLQI-NSHDSACASA-N 312.337 -0.172 30 20 DBED Cn1cnc(C(=O)N[C@@H]2[C@H]3C[C@H]2N(c2ccc(C#N)nn2)C3)n1 1064241860 IENUAUTYQGFMFZ-MKPLZMMCSA-N 310.321 -0.516 30 20 DBED C[C@@H](CC(=O)NC1(CNC(=O)[C@@H](C)C#N)CCC1)NC(N)=O 1064306258 FQICTMJFLVVGCU-UWVGGRQHSA-N 309.370 -0.252 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H]1CN(C(=O)c2cc[nH]n2)CCO1 1064890671 ONVITTUNVBFRPN-NEPJUHHUSA-N 320.349 -0.595 30 20 DBED C=CCCC(=O)N1CCO[C@@H](CNC(=O)[C@H]2COC(=O)N2)C1 1064956412 XAOYFRYKURTHOA-WDEREUQCSA-N 311.338 -0.595 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2cn(C)cn2)CCO1 1065046803 SSRPDJIMYUFUMF-GFCCVEGCSA-N 322.365 -0.420 30 20 DBED CC(C)C#CC(=O)N1CCO[C@H](CNC(=O)CC(=O)N(C)C)C1 1065133515 XCOSLPFFGQHDTN-CYBMUJFWSA-N 323.393 -0.532 30 20 DBED C[C@@]1(NC(=O)[C@@H]2COC(=O)N2)CCN(c2cncc(C#N)n2)C1 1065250615 HFAANONPIXGJGA-IINYFYTJSA-N 316.321 -0.458 30 20 DBED C[C@H]1CN(C(=O)c2cnn[nH]2)C[C@@H]1CN=c1cc[nH]c(C#N)n1 1065919179 JDNMWUFTVTYXOE-UWVGGRQHSA-N 312.337 -0.292 30 20 DBED N#Cc1cncc(N2CCOC[C@H]2CNC(=O)c2ccon2)n1 1066468337 CQBKQGIHDFNDRZ-LLVKDONJSA-N 314.305 -0.029 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(C)CCCN(C)C(=O)CC(N)=O 1067053709 UWTZVODUAFPKNA-NEPJUHHUSA-N 311.382 -0.240 30 20 DBED Cc1cc(C#N)nc(N2CC[C@H](NC(=O)C(N)=O)C[C@@H]2C)n1 1067566585 VIGROQSFYSXZHH-UWVGGRQHSA-N 302.338 -0.385 30 20 DBED N#Cc1nccc(N2C[C@@H]3C(CNC(=O)c4cnn[nH]4)[C@H]3C2)n1 1068210115 QUKJYLZTKQFEEJ-NXEZZACHSA-N 310.321 -0.421 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1COC2(C1)CN(C(=O)c1cn(C)cn1)C2 1069003362 MACGMNQQOLLLQU-MNOVXSKESA-N 317.349 -0.321 30 20 DBED C#CCC1(C(=O)N[C@@H]2CN(C(=O)CNC(N)=O)C[C@H]2C)CCC1 1071570322 OFCQFXNDMVMPPS-VXGBXAGGSA-N 320.393 -0.189 30 20 DBED CC(C)C#CC(=O)N1C[C@H](C)[C@H](NC(=O)Cn2cnnc2O)C1 1072035528 MQHVZVACVGVNRZ-NWDGAFQWSA-N 319.365 -0.394 30 20 DBED C=C(C)CN1CCC2(C1)CN(C(=O)[C@@H]1CC(=O)NC(=O)N1)C2 1073019909 AREGLWOMVDTKRZ-NSHDSACASA-N 306.366 -0.305 30 20 DBED C=CCOCC(=O)NCC1(O)CCN(C(=O)[C@@H](C)C#N)CC1 1074704820 IUHALXXOWLHMTR-LBPRGKRZSA-N 309.366 -0.182 30 20 DBED CCCN(C)CC(=O)NCC1(O)CCN(C(=O)[C@@H](C)C#N)CC1 1074705226 OZRZIRSAABQAQM-ZDUSSCGKSA-N 324.425 -0.042 30 20 DBED Cc1ncc(C(=O)NCC2(O)CCN(C(=O)[C@H](C)C#N)CC2)[nH]1 1074705714 XPHZVVQXBJQXNX-SNVBAGLBSA-N 319.365 -0.039 30 20 DBED C[C@@H](CCNC(=O)[C@@H]1COCCO1)NC(=O)c1ccc(C#N)[nH]1 1075697107 DBQIBBHANBWZRM-GWCFXTLKSA-N 320.349 -0.074 30 20 DBED C[C@@H](CCNC(=O)c1cc(C#N)c[nH]1)NC(=O)c1cnnn1C 1076070835 BAMWLQWPBOEGSO-VIFPVBQESA-N 315.337 -0.047 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@@]2(C3CCCC3)CCNC2=O)C1 1077164974 DVYWYYQFXUAFIM-CKEIUWERSA-N 319.405 -0.523 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)c2cnc3[nH]c(O)nc3c2)C1 1077266952 REDJFJOSFDNXCP-GHMZBOCLSA-N 303.322 -0.376 30 20 DBED CC(=O)N(C)c1ccccc1C(=O)N[C@@H]1CN(CC#N)C[C@H]1O 1077477042 SFCOIPBTLFALHH-UKRRQHHQSA-N 316.361 -0.032 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)[C@H](C)N2CCOCC2)C1 1078291997 QMZDNHGWGRAXER-YNEHKIRRSA-N 317.817 -0.379 30 20 DBED C#CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)[C@H]2COCCO2)C1 1079770832 NCSSSFKVAHOKGC-TZMCWYRMSA-N 324.377 -0.501 30 20 DBED C=C[C@](C)(CCOC)C(=O)N(CC)C1CN(C(=O)C(N)=O)C1 1080154968 BQXJJDMZMIWWHU-OAHLLOKOSA-N 311.382 -0.240 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@H](CNC(=O)CCOC)C1 1081147394 OQUWOJDLIUJOFN-VXGBXAGGSA-N 300.355 -0.839 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2cn[nH]c2)C[C@@H]1O 1081343888 JEJCTYQVSCKGGV-NEPJUHHUSA-N 308.338 -0.839 30 20 DBED C=CCCCC(=O)NC[C@H]1CN(C(=O)CC(=O)NC)C[C@H]1O 1081703728 UFZYOLTXXIORBU-NWDGAFQWSA-N 311.382 -0.586 30 20 DBED C#CCCN1C[C@@H](NC(=O)c2nc3ncccn3n2)[C@H](OC)C1 1082255343 INOONXKUCVPGFY-VXGBXAGGSA-N 314.349 -0.423 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H](C)S(C)(=O)=O 1083121193 YOUBXRRFIKBVFB-FRRDWIJNSA-N 314.407 -0.646 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CCN(C)C(=O)C1 1083123734 PVTOSDUPEWSXKM-SOUVJXGZSA-N 319.405 -0.210 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCCN(CC(F)F)C2)C1 1083733788 DRXLWVNQHQMTPA-TUAOUCFPSA-N 316.352 -0.352 30 20 DBED CC#CCN1CC[C@H](NC(=O)Cn2c(O)nnc2O)[C@H]1CC 1087811271 LFBMELDIFLXFDU-WDEREUQCSA-N 307.354 -0.318 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CC[C@H](C)N(c2ccnc(C#N)n2)C1 1089130617 XHXFTVUZHQMZMG-WDEREUQCSA-N 316.365 -0.042 30 20 DBED N#CCN1CC[C@@H](NC(=O)Cn2cc(C3CC3)nn2)[C@@H](O)C1 1090317938 DVIGBCSKTLOSSZ-YPMHNXCESA-N 304.354 -0.770 30 20 DBED C=CCn1cccc1C(=O)N[C@H]1CCN(CC(=O)NC)C[C@@H]1O 1090323835 SUBGWKLSDFIJLB-JSGCOSHPSA-N 320.393 -0.415 30 20 DBED C=CCn1cc(C(=O)N2C[C@H]3CN(CC(N)=O)C[C@@]3(C)C2)nn1 1092082445 ZTTNFGYFVLMYOE-ABAIWWIYSA-N 318.381 -0.657 30 20 DBED C#CCCN1C[C@@H]2CN(C(=O)C[C@@H]3CC(=O)NC3=O)C[C@]2(C)C1 1092330692 MCKWRRDXAAVAMO-AHIWAGSCSA-N 317.389 -0.157 30 20 DBED COC[C@H](OC)C(=O)NC1[C@@H]2CN(c3cnc(C#N)cn3)C[C@@H]12 1093344155 CPCNUVPSTDRHES-UTUOFQBUSA-N 317.349 -0.440 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NCCN=c1cc[nH]c(C#N)n1 1093874847 OQEINNORYVPIDU-LBPRGKRZSA-N 316.365 -0.231 30 20 DBED C[C@H]1COCC[C@@H]1C(=O)NCc1cn(C2CN(CC#N)C2)nn1 1094318435 MWKHUSFRSUFRIS-FZMZJTMJSA-N 318.381 -0.053 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)[C@H]3OCC[C@H]3C)CC2=O)C1 1094787526 YANHDGFKPWGJJD-JMSVASOKSA-N 305.378 -0.554 30 20 DBED N#Cc1ccc(NCCCNC(=O)[C@@H]2CC(=O)NC(=O)N2)nc1 1094812840 VHKCWRVBZOSUIC-JTQLQIEISA-N 316.321 -0.530 30 20 DBED CC#CCN1CC(N2C[C@H](NC(=O)CN3CCCC3)CC2=O)C1 1094817438 MGUCLJSULQKAHB-CQSZACIVSA-N 318.421 -0.493 30 20 DBED N#Cc1nccnc1N[C@H](CNC(=O)[C@H]1CCNC1=O)C1CC1 1096784201 XHYDLPXCBWNLQR-CMPLNLGQSA-N 314.349 -0.209 30 20 DBED C[C@H](CNC(=O)[C@H]1CCCNC1=O)Nc1cnc(C#N)cn1 1098121165 VLIIXQCKESBMRA-KOLCDFICSA-N 302.338 -0.209 30 20 DBED C#CCCN(CCO)C1CCN(C(=O)[C@H]2COC(=O)N2)CC1 1098359168 MNUVVNIPOJVKKR-CYBMUJFWSA-N 309.366 -0.597 30 20 DBED C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)CS(=O)(=O)NC 1099344914 QNRGEKPMFYNPJP-GFCCVEGCSA-N 315.439 -0.224 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)COC(C)C)[C@@H](O)C1 1099725770 YWGACIBWRCBTDV-OLZOCXBDSA-N 313.398 -0.735 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(CC(=O)N(C)CC)C[C@@H]1O 1099741315 QTBWGHPPFKMSSG-OLZOCXBDSA-N 313.398 -0.781 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)Cc2cc(C)[nH]n2)[C@H](O)C1 1099760011 CEAYDJLVYCPUMC-HUUCEWRRSA-N 320.393 -0.538 30 20 DBED CCn1nncc1CN1CC[C@@H](NC(=O)C#CC2CC2)[C@H](O)C1 1099825814 ARFXOIPBFLRYHI-HUUCEWRRSA-N 317.393 -0.237 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)C#CC(C)(C)C)[C@@H](O)C1 1099829588 GEOWDXTXJVHLCW-KBPBESRZSA-N 319.405 -0.663 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)C(C)(C)COC)[C@H](O)C1 1099919459 ZWPRMHHODIYXLX-ZIAGYGMSSA-N 312.410 -0.140 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)COCc2ncnn2C)[C@@H](O)C1 1100058555 VZFUYVSZNCDJFW-OLZOCXBDSA-N 323.397 -0.541 30 20 DBED Cc1nc(N(C)CCNC(=O)CCNC(N)=O)ccc1C#N 1100099233 FYWLWMSANWTENH-UHFFFAOYSA-N 304.354 -0.128 30 20 DBED CNC(=O)NC(C)(C)C(=O)NCCN(C)c1ccnc(C#N)n1 1100154469 MFIUUGKHIQAGPW-UHFFFAOYSA-N 319.369 -0.392 30 20 DBED CN(CCNC(=O)C[C@H]1CCNC1=O)c1cncc(C#N)n1 1100193724 QRKLRWQMKNZQGR-SNVBAGLBSA-N 302.338 -0.573 30 20 DBED CN1CC[C@H](CC(=O)NCCN(C)c2nccnc2C#N)C1=O 1100194608 CCAPFEMLPYFSJR-LLVKDONJSA-N 316.365 -0.231 30 20 DBED Cc1cc(C#N)nc(N(C)CCNC(=O)[C@@]2(C)CNC(=O)C2)n1 1100247253 YKPQXBBJKPAOJR-OAHLLOKOSA-N 316.365 -0.265 30 20 DBED C=CCNC(=O)CNC1CC(CNC(=O)c2cnn(C)c2N)C1 1100262971 PJIRSJGJZAKSKL-UHFFFAOYSA-N 320.397 -0.598 30 20 DBED C=CCNC(=O)CNC1CC(CNC(=O)Cc2nnc(C)o2)C1 1100302722 QCTFCJXOVKRLOB-UHFFFAOYSA-N 321.381 -0.293 30 20 DBED CCc1nc(C#N)cc(N(C)CCNC(=O)[C@@H]2CNC(=O)N2)n1 1100308581 IZZIPXQNLOKTBF-JTQLQIEISA-N 317.353 -0.856 30 20 DBED CC#CCNC1CC(CNC(=O)[C@@H](C)NS(=O)(=O)CC)C1 1100351114 LUALTTBQIVJNSP-PNESKVBLSA-N 315.439 -0.178 30 20 DBED CCN(CCNC(=O)CN1CCCC1=O)c1ccc(C#N)nn1 1100440874 RGUWPKOWEORKER-UHFFFAOYSA-N 316.365 -0.087 30 20 DBED C=CCNC(=O)CNC1CC(CNC(=O)[C@@]2(C)CNC(=O)C2)C1 1100528663 MOWUBQPNCYIVHA-ZEPSKSRBSA-N 322.409 -0.701 30 20 DBED CCN(CCNC(=O)[C@@]1(C)CNC(=O)C1)c1ccnc(C#N)n1 1100671126 QNRYFVCSGVUDEO-OAHLLOKOSA-N 316.365 -0.183 30 20 DBED C[C@H](NC(N)=O)C(=O)NC[C@@H]1CCN(c2ccc(C#N)cn2)C1 1100968323 DMDQHHWVBRQEHW-JQWIXIFHSA-N 316.365 -0.047 30 20 DBED CN(C)C(=O)CC(=O)NC[C@H]1CCN(c2ccnc(C#N)n2)C1 1101060695 ICUXZWHYOXVTHM-LLVKDONJSA-N 316.365 -0.231 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)Cn2ccnc2)C1 1101069814 WOIGWNGSHVUIMK-UHFFFAOYSA-N 303.366 -0.883 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CN(C(=O)CCOCC)C[C@]2(C)C1 1101168845 YJPLAPAYDZVWGQ-PBHICJAKSA-N 321.421 -0.057 30 20 DBED CC#CCN1C[C@@H](C)[C@H](CNC(=O)CCNS(C)(=O)=O)C1 1102017611 JHHGMCQHTFEHHT-CHWSQXEVSA-N 315.439 -0.367 30 20 DBED CNC(=O)CC(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(C#N)nn1 1102547946 WOYJKERRIJPSCV-QWRGUYRKSA-N 300.322 -0.726 30 20 DBED CC(=O)NCC(=O)N(C)[C@@H]1CCN(c2cncc(C#N)n2)C1 1102669732 FMQLBLCVUNJYES-GFCCVEGCSA-N 302.338 -0.479 30 20 DBED CC[C@H](CNC(=O)CN1CCOCC1)Nc1nccnc1C#N 1103034727 NGWMWWXPCAQUNH-GFCCVEGCSA-N 318.381 -0.013 30 20 DBED CC[C@@H](CNC(=O)CCn1ccnn1)N=c1cc[nH]c(C#N)n1 1103049271 OIQVGTCWPBFJQT-NSHDSACASA-N 314.353 -0.241 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)CN1CCCC1=O 1103853963 UIBMEHCHVOSILB-NSHDSACASA-N 316.365 -0.443 30 20 DBED COCCOCC(=O)NC[C@H](C)CN=c1cc[nH]c(C#N)n1 1103898475 NEGCZRMNDPNLOK-LLVKDONJSA-N 307.354 -0.403 30 20 DBED C[C@@H](CN=c1cc[nH]cc1C#N)N(C)C(=O)[C@@H]1COCCN1C 1104527019 KKUPMFQOAAOQTF-WFASDCNBSA-N 317.393 -0.035 30 20 DBED CCc1cc(C(=O)N2CC(n3cc(CNCC#N)nn3)C2)n[nH]1 1105164485 DTCZCUYEQDSMTJ-UHFFFAOYSA-N 314.353 -0.126 30 20 DBED Cc1cc(=NC[C@@H](O)CNC(=O)c2cc(C)[nH]n2)c(C#N)c[nH]1 1105728581 XTQOLEVAEMKDGO-GFCCVEGCSA-N 314.349 -0.082 30 20 DBED Cc1cncc(C(=O)NC[C@H](O)CN=c2cc[nH]c(C#N)n2)c1 1105768894 BYGAIRARMXFBKL-GFCCVEGCSA-N 312.333 -0.324 30 20 DBED CCc1cc(C(=O)NC[C@H](O)CNc2nccnc2C#N)n[nH]1 1105778696 VFVGSQZRZPKFGY-SNVBAGLBSA-N 315.337 -0.163 30 20 DBED CCn1nncc1C(=O)NC[C@@H](O)CNc1ncccc1C#N 1105822275 MSMACAIWGXXRPR-NSHDSACASA-N 315.337 -0.233 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)CCCC(N)=O)nc1 1105883679 XBIPSDNVDBXPFI-LLVKDONJSA-N 305.338 -0.502 30 20 DBED Cn1cc(C(=O)NC[C@@H](O)CNc2ncccc2C#N)nc1O 1106093487 XVRRLGSEAUOHKU-JTQLQIEISA-N 316.321 -0.405 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)nn1 1106110171 IPTZCDGIBWZLRR-LOWDOPEQSA-N 317.349 -0.195 30 20 DBED Cc1[nH]nc(C(=O)NC/C=C/CN=c2cc[nH]c(C#N)n2)c1O 1107125915 FMKNNJBUVOOEFU-NSCUHMNNSA-N 313.321 -0.095 30 20 DBED C#CCNC(=O)CN1CCO[C@@](C)(CNC(=O)c2ccc[nH]2)C1 1107733557 RAWZDCKWPGLIOX-INIZCTEOSA-N 318.377 -0.415 30 20 DBED CC#CCN1CCO[C@](C)(CNC(=O)c2nnn(C)c2C)C1 1107837575 LQZOADUHSOVZCE-OAHLLOKOSA-N 305.382 -0.032 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)C[C@@H]2CCC(=O)NC2)C1 1107993915 GFZTYOLMAFJPLG-XJKSGUPXSA-N 307.394 -0.257 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)CC1CS(=O)(=O)C1 1107995461 DNZPPQCRENRQOC-SECBINFHSA-N 323.378 -0.879 30 20 DBED C#CCCN1CCO[C@](C)(CNC(=O)[C@@]2(C)CNC(=O)C2)C1 1108093338 TZUKKSLCUWYNEN-HZPDHXFCSA-N 307.394 -0.257 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)COCCOCC)CC2=O)C1 1108591672 BHKGCVMNEKMQKP-CYBMUJFWSA-N 323.393 -0.926 30 20 DBED CCn1cc(CC(=O)N[C@@H](C)CN=c2cc[nH]c(C#N)n2)nn1 1108812814 YSQLZMUJAMOHSR-JTQLQIEISA-N 314.353 -0.459 30 20 DBED C[C@@H](CN(C)c1ccnc(C#N)n1)NC(=O)CCn1cncn1 1108826474 ZFIRSFCKHHQCFD-NSHDSACASA-N 314.353 -0.029 30 20 DBED C[C@@H](CN(C)c1ccnc(C#N)n1)NC(=O)[C@@H]1COC(=O)N1 1108926989 OHYWWUAGFCWGKF-IUCAKERBSA-N 304.310 -0.602 30 20 DBED C[C@@H](CN(C)c1cncc(C#N)n1)NC(=O)[C@H]1C[C@H]1C(N)=O 1109243556 ZHLFUANWLCHVKB-GDPRMGEGSA-N 302.338 -0.589 30 20 DBED CNC(=O)NCCC(=O)N(C)CCCN=c1cc[nH]cc1C#N 1109438424 SYRGGKQMFYBGHE-UHFFFAOYSA-N 318.381 -0.045 30 20 DBED C#CCNC(=O)CC(=O)NCC1(Nc2ccnc(C#N)n2)CC1 1110105368 BIUNQDVKNIRUAV-UHFFFAOYSA-N 312.333 -0.452 30 20 DBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H]1CCCO1 1110254792 DZRNMBZGWONXHT-FVCCEPFGSA-N 306.366 -0.473 30 20 DBED COCCC(=O)NC[C@]1(O)CCN(c2cnc(C#N)cn2)C1 1111016165 ZGPZRVUAISSCLR-CQSZACIVSA-N 305.338 -0.558 30 20 DBED CCOCC(=O)N(C)[C@H]1CN(c2ccncc2C#N)C[C@@H]1O 1111169966 RSVVBTSFQVWYQL-KBPBESRZSA-N 304.350 -0.002 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CC[C@@H]1NC(=O)NC1=O 1111376695 ZBKKSKXZBLZNPD-KXNHARMFSA-N 304.350 -0.671 30 20 DBED CN(C)C(=O)CC(=O)N(CCO)CCN=c1cc[nH]cc1C#N 1111572903 KIDLPMIUNZAOEJ-UHFFFAOYSA-N 319.365 -0.914 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H]1COCCN1c1cc(F)ncn1 1111699868 DJQOQTKCPLZHQT-NWDGAFQWSA-N 322.340 -0.025 30 20 DBED C#CCOCCC(=O)N[C@]12CCC[C@H]1CN([C@H](C)C(N)=O)C2 1111745985 DIESEKMOCABYKL-WWGRRREGSA-N 307.394 -0.129 30 20 DBED CC#CCNC[C@]12CCC[C@H]1CN(C(=O)[C@H]1CNC(=O)N1)C2 1112519470 KZQBSGMIAHHQRF-ZENOOKHLSA-N 304.394 -0.091 30 20 DBED COCCC(=O)NC[C@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1112689445 NEIMSBWCPRACKM-JQWIXIFHSA-N 305.338 -0.702 30 20 DBED C=CCOCC(=O)N1CCN(C[C@@H]2CCS(=O)(=O)C2)CC1 1112708742 VKDNUQOPXLTCLZ-ZDUSSCGKSA-N 316.423 -0.232 30 20 DBED Cc1ccc(N2C[C@@H](O)[C@@H](CNC(=O)CSCC#N)C2)nn1 1112724617 BLKKMUAWUJNJSO-NWDGAFQWSA-N 321.406 -0.045 30 20 DBED Cc1cccc(C(=O)NC2[C@H]3CN(CC(=O)NCC#N)C[C@H]23)n1 1113871366 TWLOEWXMEFORCL-RYUDHWBXSA-N 313.361 -0.310 30 20 DBED CO[C@H](C)CCC(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1114168962 ZYXPTKZHRQFSLB-FJJYHAOUSA-N 308.382 -0.512 30 20 DBED C#CCCCC(=O)NC1[C@@H]2CN(C[C@@H](O)COCCOC)C[C@@H]12 1114198614 FQWLEZVUHXNJSB-RBSFLKMASA-N 324.421 -0.140 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC(C)C)C[C@@H]21 1114273972 YGIFRFZFWQSLLP-NYTXWWLZSA-N 321.421 -0.157 30 20 DBED CC#CCCCC(=O)N[C@H]1[C@@H]2CN([C@@H](C)C(=O)NC(N)=O)C[C@@H]21 1114710290 BBDZPCSYZZZSFD-CIQGVGRVSA-N 320.393 -0.190 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)c3ccc(C(N)=O)[nH]3)[C@@H]2C1 1114843390 NGNUVYOLRWFVPA-GHMZBOCLSA-N 316.361 -0.577 30 20 DBED C[C@@H](CN(C)C(=O)CCc1nc[nH]n1)N=c1cc[nH]c(C#N)n1 1115670007 ZOWAZUSJTCKCOJ-JTQLQIEISA-N 314.353 -0.220 30 20 DBED C[C@@H](CN(C)C(=O)[C@@H]1COCCN1C)Nc1cncc(C#N)n1 1115682079 GQOITGZRRROUKN-AAEUAGOBSA-N 318.381 -0.062 30 20 DBED N#CCN1CCC(NC(=O)C(=O)N2CCc3c[nH]nc3C2)CC1 1117326519 KNXDTVBMLGGXCQ-UHFFFAOYSA-N 316.365 -0.601 30 20 DBED CCCCn1ncc(NC(=O)C(=O)NCC(=O)NCC#N)c1C 1117461635 YDHKRNRYKABDNI-UHFFFAOYSA-N 320.353 -0.314 30 20 DBED Cn1cnc2c(N[C@@H](CO)CNC(=O)C#CC3CC3)ncnc21 1121439427 KIWXCAYNYYKONE-LLVKDONJSA-N 314.349 -0.334 30 20 DBED CN1CCC(C(=O)NC[C@@H](CO)Nc2cncc(C#N)n2)CC1 1121717755 JPBVOSWNTLHNGM-ZDUSSCGKSA-N 318.381 -0.421 30 20 DBED C[C@@H](C#N)C(=O)N(C)C[C@H](O)CNc1ncnc2c1ncn2C 1124192632 YAUMVVNYGFVQHD-VHSXEESVSA-N 317.353 -0.246 30 20 DBED CC(C)[C@@H](O)C(=O)N(C)C[C@@H](O)CNc1nccnc1C#N 1124295503 DFTDXWOONOGIFQ-CMPLNLGQSA-N 307.354 -0.404 30 20 DBED CNC(=O)CC(=O)NCCN(CCOC)c1ncccc1C#N 1126308101 HRTWMBWBGAJFFQ-UHFFFAOYSA-N 319.365 -0.342 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)Cc1cncnc1 1126415277 XLBSASDVUWOTQN-UHFFFAOYSA-N 317.393 -0.075 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@@H]1CCCN(C(=O)CC)C1 1128003903 CUILTBCJFIWSAW-CYBMUJFWSA-N 322.409 -0.910 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1cc2c(cn1)OCCO2 1129671070 MWQVMRJYMMTQEU-UHFFFAOYSA-N 320.349 -0.526 30 20 DBED C=CCN1C[C@@H](OC)C[C@H]1c1n[nH]c(CNC(=O)CC(N)=O)n1 1130255997 TUNNMYMOBIFBFR-UWVGGRQHSA-N 322.369 -0.756 30 20 DBED C=CCNC(=O)CN1CCNC(=O)CCN(C(=O)C2CC2)CC1 1131320915 JLDBXQZGUFYEDL-UHFFFAOYSA-N 322.409 -0.651 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)CCn1ccnc1 1132079967 VENHFSABWOBRCC-UHFFFAOYSA-N 320.397 -0.259 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)Cc1ncccc1OC 1132913172 GWJKYXAIPLKXMZ-LBPRGKRZSA-N 318.377 -0.524 30 20 DBED N#CCNC(=O)CNCCNC(=O)[C@@H]1CCc2cccnc21 1132981380 WSUYPHQKQYZUDO-GFCCVEGCSA-N 301.350 -0.543 30 20 DBED C[C@@H](C[C@@H](C)NCC(=O)NCC#N)NC(=O)Cn1cccn1 1133674633 GRKVCEIVLBKFAM-NEPJUHHUSA-N 306.370 -0.604 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)c1cnnc(O)c1 1134676449 OTDBEQIHPKPXKK-WDEREUQCSA-N 319.365 -0.582 30 20 DBED C=CCNC(=O)CNCCNC(=O)C[C@H](C)N1CCCC1=O 1147607922 YDTAGGKYWKGZJZ-LBPRGKRZSA-N 310.398 -0.605 30 20 DBED C=C(Cl)CN1CCCO[C@H](CNC(=O)CNC(N)=O)C1 1149124138 JNVZXWLMLUAFIK-SNVBAGLBSA-N 304.778 -0.386 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1c(C)cc(O)nc1C 1151806480 KDNWWWIOXCJVCR-UHFFFAOYSA-N 304.350 -0.527 30 20 DBED COCC#CCNCCNC(=O)c1c(OC)ncnc1OC 1153591299 OALVKEFYQWIZIA-UHFFFAOYSA-N 308.338 -0.537 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)[C@H]1CCCNC1=O 1160441395 PYEWZVQFSIILLQ-RYUDHWBXSA-N 310.398 -0.701 30 20 DBED CNC(=O)C1(C(=O)NCC2(COC)CCN(CC#N)CC2)CC1 1162528091 STGOCLIPKDTANC-UHFFFAOYSA-N 322.409 -0.119 30 20 DBED C#CCO[C@H](C)C(=O)NCCC1(CNCC(=O)NC(N)=O)CC1 1164505283 WGEMQICVIANWOP-LLVKDONJSA-N 324.381 -0.904 30 20 DBED C=CCNC(=O)[C@H](C)NCC1(CCNC(=O)c2cnn[nH]2)CC1 1165956390 YPRVGWZXNYYBHQ-NSHDSACASA-N 320.397 -0.015 30 20 DBED C=C(C)CCNCCCNC(=O)[C@@H](CCC(N)=O)NC(C)=O 1168502751 CKLNVUPYVKPKEF-CYBMUJFWSA-N 312.414 -0.181 30 20 DBED N#CCNC(=O)CNCCCNC(=O)[C@H]1CCc2n[nH]cc2C1 1171045902 MFUWSMDVMBKBFN-NSHDSACASA-N 318.381 -0.750 30 20 DBED CCCC(=O)N1CC[C@H]2OCCN(CC(=O)NCC#N)[C@H]2C1 1176882104 LBRKYAKNCLJARX-QWHCGFSZSA-N 308.382 -0.272 30 20 DBED C=C(Cl)CN1CCO[C@@H]2CCN(C(=O)CNC(N)=O)C[C@@H]21 1176912320 IIIFOKPYUYJVAM-WDEREUQCSA-N 316.789 -0.291 30 20 DBED C=CCOCC(=O)N1CC[C@@H]2OCCN(CC(=O)NC)[C@@H]2C1 1176950059 XQCOLMBMENSJOV-OLZOCXBDSA-N 311.382 -0.763 30 20 DBED CC(C)C#CC(=O)N1CC[C@H]2OCCN(CCOCCO)[C@H]2C1 1177020443 ZKBNDAUFJJVVQC-JKSUJKDBSA-N 324.421 -0.044 30 20 DBED C=CCOCC(=O)N1CC[C@H](NCCN2C(=O)CNC2=O)[C@@H]1C 1178332654 ZDDFEVOSPFNUHS-RYUDHWBXSA-N 324.381 -0.680 30 20 DBED C=CCO[C@H](C)C(=O)N1CC[C@H](NCC(=O)NCC#N)[C@@H]1C 1180268416 ANQUKDRYKNYIAB-XQQFMLRXSA-N 308.382 -0.204 30 20 DBED CCNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)C#CC2CC2)C1 1182388095 ANPVXHYXFHHWOC-GFCCVEGCSA-N 306.366 -0.564 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CCCN2CCC)C1 1183040564 SWWWMEUMOAYLRY-CABCVRRESA-N 320.437 -0.199 30 20 DBED CC[C@@]1(C(=O)N2CC[C@@H](NCC#CCOC)C2)CCNC1=O 1183392491 WZHPDOPZAGIVJF-CZUORRHYSA-N 307.394 -0.257 30 20 DBED C#CCNC[C@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C[C@@H]1C 1185750543 JZGLANHFNOLAOB-NWDGAFQWSA-N 318.381 -0.916 30 20 DBED C=CCN1CC[C@@H](N2C[C@@H](O)[C@H](NC(=O)C=C(C)C)C2)C1=O 1190870540 ITQXKOMPZAVIBM-MGPQQGTHSA-N 307.394 -0.099 30 20 DBED CN(CC(=O)NCC#N)[C@@H]1CCN(C(=O)c2cncn2C)C1 1191169762 GFXVLOBCZYXRIX-LLVKDONJSA-N 304.354 -0.794 30 20 DBED C=CCCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2cn(C)nn2)C[C@H]1O 1191615542 YXDHYKHUJSYJFJ-IACUBPJLSA-N 323.397 -0.542 30 20 DBED C=CCCC(=O)N[C@@H]1CN([C@H]2CCN(CC=C)C2=O)C[C@H]1O 1191724544 KQGDPELCDICGDP-HZSPNIEDSA-N 307.394 -0.099 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(Cc2cc(C)no2)C[C@H]1O 1192524520 JXEVZDRIXJAAQN-NFAWXSAZSA-N 309.366 -0.029 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2nccs2)C[C@H]1O 1192885697 DOEHSLSAADKKDJ-VXGBXAGGSA-N 309.391 -0.156 30 20 DBED C#CCN(C)[C@@H]1CCN(C(=O)CS(=O)(=O)NC(C)(C)C)C1 1194104214 NMZNHEMHZGAVOD-GFCCVEGCSA-N 315.439 -0.130 30 20 DBED C[C@H]1OCC[C@@]1(C)C(=O)N1CCCN(CC(=O)NCC#N)CC1 1196602601 OJIQUJGWTMBJHQ-CZUORRHYSA-N 322.409 -0.024 30 20 DBED N#CCNC(=O)CN1CCCN(C(=O)CCn2ccnc2)CC1 1196689818 NZNZWDNNCZTAFA-UHFFFAOYSA-N 318.381 -0.553 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)[C@H]2CC[C@@H]2C(N)=O)CC1 1196771185 TXFLRKAESIJORW-STQMWFEESA-N 322.409 -0.666 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)[C@@H](COC)OC)CC1 1197084774 YGYAIYJGYLJPKG-CYBMUJFWSA-N 313.398 -0.516 30 20 DBED C=CCNC(=O)[C@@H](C)NC1CCN(C(=O)[C@@H]2COC(=O)N2)CC1 1200348559 AIADIGOFFHIFQG-PWSUYJOCSA-N 324.381 -0.634 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCCO[C@@H](CNCC(=O)NC)C1 1200366276 BFNPBBYHTRXTGB-WFASDCNBSA-N 313.398 -0.733 30 20 DBED N#CCNC(=O)CNC1CCN(C(=O)[C@]2(F)CCOC2)CC1 1202173005 ZOGIKOKMESQCOQ-AWEZNQCLSA-N 312.345 -0.665 30 20 DBED N#CCNC(=O)CN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)c1cnon1)C2 1204806281 RXVHUBDFCDHEHA-CKYFFXLPSA-N 318.337 -0.708 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)C(C)(C)C(N)=O)CC1 1205487803 NMLFQFJNVVSIKN-UHFFFAOYSA-N 322.409 -0.925 30 20 DBED C#CCCCCC(=O)N[C@@H]1CN([C@H]2CCNC2=O)C[C@H]1OC 1212146457 PWNSWIXSQBOHLE-HZSPNIEDSA-N 307.394 -0.116 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)[C@@]23COC[C@@H]2C3)[C@H](OC)C1 1212299924 QTQUYWOOEGPIKL-VLXAULBPSA-N 323.393 -0.860 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)CCOC[C@H]1CCCO1 1212504810 XCIXAMVJSJKRST-MGPQQGTHSA-N 311.382 -0.089 30 20 DBED C[C@@H]1CN(C(=O)[C@@H]2CCCOC2)C[C@H]1NCC(=O)NCC#N 1214310494 AAZYNROGGUNVOO-JHJVBQTASA-N 308.382 -0.511 30 20 DBED C[C@@H]1CN(C(=O)c2cn(C)cn2)C[C@H]1NCC(=O)NCC#N 1214437121 CGBHHBHFBKMQAM-GHMZBOCLSA-N 304.354 -0.890 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)c2cccn2C)C1 1219189301 JXLKCALACHGWFF-BZPMIXESSA-N 320.393 -0.509 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 1220387704 OHUZBOKQBJRSNW-POQQGIQPSA-N 323.393 -0.983 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)C2(C(=O)N(C)C)CC2)C1 1220728183 AJZXXESENDDXHO-MNOVXSKESA-N 315.801 -0.231 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN([C@H](C)c2nnnn2C)C[C@@H]1O 1221139866 QRYLCWIWFBILSK-UTUOFQBUSA-N 324.385 -0.975 30 20 DBED N#CCNC(=O)CN1CC[C@@H]2CN(C(=O)[C@@]3(F)CCOC3)[C@@H]2C1 1221763970 NFWKZPIEAPEWNB-LALPHHSUSA-N 324.356 -0.713 30 20 DBED C=CCCOCC(=O)N1C[C@H]2CCN(Cc3nnn(C)n3)C[C@H]21 1222064092 COPIDRNXASXYAI-CHWSQXEVSA-N 320.397 -0.165 30 20 DBED C=CCOCCN1CCC(NC(=O)CN2CC(=O)NC2=O)CC1 1229648273 XLDQHBITSPYXGF-UHFFFAOYSA-N 324.381 -0.679 30 20 DBED C#CCN1CCS(=O)(=O)[C@@H](CCNC(=O)c2ccncc2)C1 1230411023 WNBSBPZDAYCSTN-AWEZNQCLSA-N 321.402 -0.066 30 20 DBED C=CCNC(=O)[C@H](C)N1CCC(NC(=O)CCCC(N)=O)CC1 1230442564 OGFSJJADRWQTKS-LBPRGKRZSA-N 324.425 -0.087 30 20 DBED C#Cc1ccc(NC(=O)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 1262675302 HAIYZTQPFGFXEB-GFCCVEGCSA-N 306.343 -0.090 30 20 DBED Cc1c(NC(=O)C(=O)N2CCO[C@H](C#N)C2)cccc1C(N)=O 1318368589 KTZMLUDGIKSBQG-SNVBAGLBSA-N 316.317 -0.217 30 20 DBED C[C@H](O)[C@@H]1CCCN(C(=O)C(=O)Nc2cnn(CC#N)c2)C1 1319461171 BWXBEKFXOSFJJM-WDEREUQCSA-N 305.338 -0.035 30 20 DBED COC(=O)CCCC(=O)NCCN/C(O)=C1\N=CC=CC1=O 1320793447 UTSSVYAAYPIWBK-BUHFOSPRSA-N 309.322 -0.028 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)NCC1CCN(C(C)=O)CC1 1322507573 MJNVXYUQMXBOPT-CYBMUJFWSA-N 311.382 -0.322 30 20 DBED Cc1cc(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)n(C)n1 1322654708 OAVGPMTUXUMNFJ-OWBHPGMISA-N 303.322 -0.015 30 20 DBED Cc1nccn1CCCNC(=O)C(=O)N1CCO[C@H](C#N)C1 1325559352 LEFVWFUGNGGKLD-GFCCVEGCSA-N 305.338 -0.551 30 20 DBED COC(=O)N(C)CCNC(=O)C(=O)NCc1ccc(C#N)cc1 1327878332 OTUHFIMLLYKBOH-UHFFFAOYSA-N 318.333 -0.011 30 20 DBED C=CCn1cc(CNC(=O)N2CCN3C(=O)NC[C@H]3C2)nn1 1329198130 FOIVQGHCSJTSRE-NSHDSACASA-N 305.342 -0.617 30 20 DBED C=CCn1c([C@H](C)O)nnc1N1CCO[C@H](CNC(C)=O)C1 1339581713 ZOKLMSSONSTJGK-CMPLNLGQSA-N 309.370 -0.141 30 20 DBED C=CCn1c([C@H](C)O)nnc1N1CCO[C@@H](CNC(C)=O)C1 1339581714 ZOKLMSSONSTJGK-JQWIXIFHSA-N 309.370 -0.141 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCC[C@@H](C2OCCO2)C1 1342446089 PBZNHTYVGHDVTE-GFCCVEGCSA-N 310.350 -0.636 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N[C@H]1CCO[C@]2(CCOC2)C1 1342865503 PLSREEAYMNPDPG-TYNCELHUSA-N 312.366 -0.242 30 20 DBED C#CCN1CCC(OC(=O)C2CN(S(C)(=O)=O)C2)CC1 1344373286 MFLXNUPJYBCUKP-UHFFFAOYSA-N 300.380 -0.481 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C)c2n[nH]c(C)n2)C1=O 1346132050 XPFBKJZBEZPSAM-ZETCQYMHSA-N 320.309 -0.733 30 20 DBED CCn1ncc(C)c1NC(=O)C(=O)NCCn1cnc(C#N)n1 1350145611 LIVIIFNVKKCBSA-UHFFFAOYSA-N 316.325 -0.571 30 20 DBED CN(C[C@@H]1CCCC[C@@H]1O)C(=O)Cn1cc(C#N)c(O)nc1=O 1362292462 GRUUADGTRQHWBO-JQWIXIFHSA-N 320.349 -0.170 30 20 DBED CN(C)C1(C(=O)NCCn2cc(C#N)c(O)nc2=O)CCC1 1364110366 YLUQQNWAYFUHRU-UHFFFAOYSA-N 305.338 -0.579 30 20 DBED C[C@H]1CN(C(=O)CN(CCNC(=O)[C@@H](C)C#N)C2CC2)CCO1 1366736731 CCMVNURSMWNJQA-STQMWFEESA-N 322.409 -0.026 30 20 DBED C=C(Cl)CN1CC(O)(CNC(=O)[C@H]2CCCC(=O)N2)C1 1368302359 JFEUTQXEVDEKDB-SNVBAGLBSA-N 301.774 -0.430 30 20 DBED COC(=O)NCC(=O)NC[C@H](O)CNCc1ccc(C#N)cc1 1374581934 FXWJDBVVNMMPOS-CYBMUJFWSA-N 320.349 -0.519 30 20 DBED CNS(=O)(=O)CC(=O)NC[C@@H](C)NCc1cccc(C#N)c1 1390532438 NDDWGLKEWXQWFR-LLVKDONJSA-N 324.406 -0.298 30 20 DBED COc1ccc(NC(=O)Cn2cnc(C(N)=O)n2)cc1C#N 1411517738 ZZHHPYNQLYKTHZ-UHFFFAOYSA-N 300.278 -0.104 30 20 DBED CN(C(=O)CNc1ccc(C#N)cn1)N1CCS(=O)(=O)CC1 1413572010 AUHMHTPVBLMDQI-UHFFFAOYSA-N 323.378 -0.531 30 20 DBED Cn1ccc(C(=O)NC[C@H](O)CNC(=O)c2cc(C#N)c[nH]2)n1 1416754929 USWFHRUDLWCMGB-JTQLQIEISA-N 316.321 -0.859 30 20 DBED N#Cc1cccc([C@H](O)CN2C[C@@H](C(N)=O)[C@@H](C(N)=O)C2)c1 1422056366 YFGCCMAVTKIQHJ-FRRDWIJNSA-N 302.334 -0.890 30 20 DBED COC[C@@H](C)CNC(=O)NCCn1cc(C#N)c(O)nc1=O 1426919795 YXDROKJPHIARBJ-VIFPVBQESA-N 309.326 -0.598 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)c2ccc(=O)n(C)n2)CC1 1433978514 BMQDBPISLUTHEJ-VIFPVBQESA-N 303.322 -0.681 30 20 DBED C[C@@H](C#N)C(=O)NCCN1CCN(C(=O)CCCN(C)C)CC1 1446922750 NKJHFBHAIIHMDK-AWEZNQCLSA-N 323.441 -0.252 30 20 DBED CCS(=O)(=O)NCC(=O)N(C)C[C@@H](C)NC(=O)[C@H](C)C#N 1451090087 SAVASNQHTOALPD-NXEZZACHSA-N 318.399 -0.952 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)c2ccc(=O)n(C)c2)CC1 1459016125 FNZVMJAZNYIFLB-JTQLQIEISA-N 302.334 -0.076 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNCc1noc2c1COCC2 1482717085 WNXYXHINVIYHOV-ZJUUUORDSA-N 308.338 -0.526 30 20 DBED C=C(Cl)CNC[C@@H]1CN(C(=O)CCNC(=O)NC)CCO1 1502051789 WKENVXIAASLHBN-LLVKDONJSA-N 318.805 -0.125 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC(=O)N(C)C2)C1 1514856752 CVGWOPQXJXWCRO-KKOKHZNYSA-N 306.366 -0.365 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)C1(c2ccccn2)CC1 1533258218 OGLVXNFVWNLYCM-RYUDHWBXSA-N 316.361 -0.134 30 20 DBED CCn1ncc(C(=O)NC[C@H](O)CNC(=O)[C@@H](C)C#N)c1C 1533311978 DZJOANMMHZTSLM-GXSJLCMTSA-N 307.354 -0.422 30 20 DBED C[C@@H](CNC(=O)[C@H](C)C#N)CNc1cnc(-c2nn[nH]n2)cn1 1574834005 AQEAITXOVLDENV-RKDXNWHRSA-N 315.341 -0.019 30 20 DBED NCCN(CC#CCN1C(=O)c2ccccc2C1=O)CCO 1580304513 UONQZGWPVLFCPS-UHFFFAOYSA-N 301.346 -0.461 30 20 DBED N#Cc1nc(N[C@H]2CCCS(=O)(=O)C2)cnc1-c1nn[nH]n1 1581880515 MTYAXBRNRVVBQD-ZETCQYMHSA-N 320.338 -0.483 30 20 DBED C#CCN(CC(=O)O)C(=O)Cn1nc2n(c1=O)CCCCC2 1588407088 HCXJMFAOCWMTIE-UHFFFAOYSA-N 306.322 -0.682 30 20 DBED C=CCS(=O)(=O)CCNc1cnc(C#N)c(-c2nn[nH]n2)n1 1588688883 TWNFQRXYHMOQRR-UHFFFAOYSA-N 320.338 -0.459 30 20 DBED C[C@]1(CCCC(=O)N(CC#N)CCC(=O)O)NC(=O)NC1=O 1594001303 LRPUNIYYGUYSPT-CYBMUJFWSA-N 310.310 -0.418 30 20 DBED C#CCN(CC(=O)O)C(=O)[C@H]1CC[C@@H](C(F)(F)F)NC1=O 1602682570 QDZRLKLUXPUJBD-YUMQZZPRSA-N 306.240 -0.010 30 20 DBED C#CCN1C[C@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C[C@H]2C1 1602722134 BYNHDUREMCHCMM-TXEJJXNPSA-N 311.349 -0.168 30 20 DBED C=CCNC(=O)[C@@H](C)OC(=O)[C@H](C)n1cnc(-c2nn[nH]n2)n1 1602864243 ZGBIDTHBXSKIKR-JGVFFNPUSA-N 320.313 -0.747 30 20 DBED CCN1C[C@@H](S(=O)(=O)N(CC#N)CCC(=O)O)CC1=O 1605471557 NUIBMRSAPUVLSO-VIFPVBQESA-N 303.340 -0.763 30 20 DBED N#CC[C@@]1(O)CCN(S(=O)(=O)CC2(C(=O)O)CCC2)C1 1608182126 UXIPICLIHUNWOE-GFCCVEGCSA-N 302.352 -0.078 30 20 DBED C#CCNC(=O)COC(=O)CNc1ccc(-c2nn[nH]n2)cc1 1609021147 GYOCMJWUSXRJPC-UHFFFAOYSA-N 314.305 -0.429 30 20 DBED N#Cc1ncccc1S(=O)(=O)N1CCC[C@@H](O)[C@H]1C(=O)O 1610634065 IZAHMOGOGLTDAV-KOLCDFICSA-N 311.319 -0.448 30 20 DBED C=CCOCCN[C@H]1CCN(C(=O)CN2C(=O)CCC2=O)C1 1713935603 KIXKDYWMCOTKRO-LBPRGKRZSA-N 309.366 -0.472 30 20 DBED C#CCNC(=O)CN[C@H](CNC(=O)c1ccc(C#N)[nH]1)C1CC1 1752454633 OCWDAQFLPCSCPZ-CQSZACIVSA-N 313.361 -0.266 30 20 DBED C#CCCNC[C@H]1CCCN(C(=O)Cn2cnc(C(N)=O)n2)C1 1752799683 QGXKRXXGHRTSBJ-GFCCVEGCSA-N 318.381 -0.772 30 20 DBED CN(CCNC(=O)c1ccc(C#N)[nH]1)CCN1C(=O)CCC1=O 1753046363 TYPASOCBKMYKNS-UHFFFAOYSA-N 317.349 -0.303 30 20 DBED C#CCNC(=O)[C@@H](C)NCCN(C)C(=O)C1(C(=O)NC)CCC1 1753254956 WFDMZNKANMWGOH-GFCCVEGCSA-N 322.409 -0.911 30 20 DBED N#CCNC(=O)CN1[C@H]2CC[C@H]1CN(C(=O)c1ccon1)C2 1753306104 OODPOSGRTSGSNP-QWRGUYRKSA-N 303.322 -0.397 30 20 DBED C#CCNC(=O)CN1CC[C@@H](N(CC)C(=O)c2cnns2)C1 1753451424 DCWFPHQGMNOBQN-LLVKDONJSA-N 321.406 -0.176 30 20 DBED C#Cc1cncc(C(=O)NC[C@@H](O)CN[C@@H](C)C(=O)N(C)C)c1 1753927816 RKZXTTZAMAKDNJ-FZMZJTMJSA-N 318.377 -0.780 30 20 DBED C#CCNC(=O)[C@@H](C)NC/C=C\CNC(=O)c1ccc(C#N)[nH]1 1754113383 XSLBKYNRDWJGCH-QMAVJUDZSA-N 313.361 -0.100 30 20 DBED C#CCNC(=O)CNC/C=C/CNC(=O)c1ccnn1CC 1754114992 NQORCUBIDWHVKU-AATRIKPKSA-N 303.366 -0.472 30 20 DBED C#CCNC(=O)CNC[C@H](NC(=O)c1nccc(C)n1)C1CC1 1754439517 PTGCIQBTGGDAIR-ZDUSSCGKSA-N 315.377 -0.368 30 20 DBED COCC#CCN1CC[C@@](C)(NC(=O)[C@H]2CCC(=O)N2C)C1 1754678972 XHJCSSKEFMBHJL-CZUORRHYSA-N 307.394 -0.162 30 20 DBED C#CCN1CCC(C)(CNC(=O)Cn2cnc(C(N)=O)n2)CC1 1754716187 NENBUBQYEGFGJR-UHFFFAOYSA-N 318.381 -0.772 30 20 DBED C#CCN1CC[C@](O)(CNC(=O)c2c(O)nnc(C)c2C)C1 1754756561 PYSASNNSWZOPTQ-HNNXBMFYSA-N 304.350 -0.401 30 20 DBED C=CCCN1CCC[C@](CO)(NC(=O)CS(C)(=O)=O)C1 1754853035 SEXONOVYQNUDIW-ZDUSSCGKSA-N 304.412 -0.450 30 20 DBED C[C@]1(CCC(=O)N[C@@]2(CO)CCCN(CC#N)C2)CCC(=O)N1 1754863484 WMZKGMJWRJGQHS-CVEARBPZSA-N 322.409 -0.098 30 20 DBED Cn1nccc1COCC(=O)NC[C@H]1COCCN1CC#N 1754969288 VUOYRSFTXFMXLQ-ZDUSSCGKSA-N 307.354 -0.723 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)CCNC(=O)C(C)(C)C 1754970765 ZTUAIYLOUJCXNQ-CYBMUJFWSA-N 309.410 -0.011 30 20 DBED C#CCNC(=O)CNCC1(O)CCN(C(=O)[C@@H]2CC23CC3)CC1 1755153897 UTOGUHBERPJZCM-ZDUSSCGKSA-N 319.405 -0.521 30 20 DBED C#CCNCC1(O)CCN(C(=O)[C@H]2CCCCN2C(N)=O)CC1 1755154860 MDSQTSPYUAMMAK-CYBMUJFWSA-N 322.409 -0.504 30 20 DBED C=CCN[C@H](CO)CNC(=O)c1cn(C[C@@H]2CCOC2)nn1 1755644007 VLNLYZMQMQNAJY-RYUDHWBXSA-N 309.370 -0.819 30 20 DBED Cc1nonc1C(=O)N(CCN(C)CC(=O)NCC#N)C(C)C 1755815436 LBSOSBUSCRKGNS-UHFFFAOYSA-N 322.369 -0.200 30 20 DBED C=CCCOCC(=O)N[C@H]1C[C@H](CNC(=O)[C@H]2CNC(=O)N2)C1 1756252499 LWNFQGXEDNKBHB-IJLUTSLNSA-N 324.381 -0.729 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CN(C)C(=O)c1cocn1 1756437992 HDLDJLWWADMSFH-JTQLQIEISA-N 306.322 -0.609 30 20 DBED CCn1cc(C(=O)NC[C@H](O)CN(C)C(=O)C#CC2CC2)nn1 1756663397 VBSGZDLQDIBOJC-LBPRGKRZSA-N 319.365 -0.740 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H]1C[C@@H](CNC(=O)CNC(=O)CC)C1 1757313881 JXLDBJKYELDKNR-RWMBFGLXSA-N 323.393 -0.438 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccns1)C2 1800451359 YBGVKCVWBQAIDI-DDFAGTSDSA-N 305.359 -0.021 30 20 DBED C[C@@H](S)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](N)CN)C2 1802288655 CAMHCYHABLUTSC-NZFPMDFQSA-N 300.428 -0.771 30 20 DBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCOC3)C2)C1 1839810994 AFKZXEHVBWJDTG-XJKSGUPXSA-N 322.361 -0.888 30 20 DBED C#CCCC(=O)N1CCCC12CN(C(=O)[C@@H]1CNC(=O)O1)C2 1846996917 SWHNYPZFUSVFAO-NSHDSACASA-N 305.334 -0.288 30 20 DBED C#CCNC(=O)[C@H](C)Sc1nnc(N2CCOCC2)n1C 30976120 IFYOCVWQWQPNLZ-JTQLQIEISA-N 309.395 -0.118 30 20 DBED C#CCOCCC(=O)N[C@H]1CCN(c2cc(C)nn2C)C1=O 153962213 UAUVKZGGZFYWLX-LBPRGKRZSA-N 304.350 -0.010 30 20 DBED CN(CCCc1n[nH]c(N)c1C#N)CCN1C(=O)CCC1=O 162703466 YUIHADROLMMDLN-UHFFFAOYSA-N 304.354 -0.123 30 20 DBED C[C@H](C#N)CNC(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C 176374266 DRQLZSBTZWXNEL-MRVPVSSYSA-N 316.321 -0.087 30 20 DBED C=CCNC(=O)CNC(=O)N[C@H](C)C(=O)NCc1ccco1 180554343 BLQRAFCRVWFPSM-SNVBAGLBSA-N 308.338 -0.114 30 20 DBED C[C@H]1OCC[C@@]1(O)C/N=C(/N)N1CCN(c2ncccn2)CC1 262707771 BWZLISBBLYNBJE-IUODEOHRSA-N 320.397 -0.547 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCCCN(CC)CC)C1=O 265073351 OLNMWDXLBSUIBR-UHFFFAOYSA-N 324.381 -0.189 30 20 DBED Cc1nc2n(n1)C[C@@H](NS(=O)(=O)N(C)C[C@@H](C)C#N)CC2 282792381 XSYOMZRQUGISSD-ONGXEEELSA-N 312.399 -0.173 30 20 DBED C=CCCCS(=O)(=O)N1CCS(=O)(=O)C[C@H]1C(=O)O 291889753 OLEYUVSOVLNKMG-VIFPVBQESA-N 311.381 -0.534 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@]2(O)CCC[C@H]2C)C1=O 294079899 IGRSJGAAUPWNPO-MEBBXXQBSA-N 323.349 -0.370 30 20 DBED CCN1CCC(N(C)c2c(C#N)c(=O)n(C)c(=O)n2C)CC1 301300457 XHAIJIKTVBIJCM-UHFFFAOYSA-N 305.382 -0.124 30 20 DBED CN1C(=O)[C@]2(CCN(C/C(O)=N/C[C@H]3CCCO3)C2)N=C1O 329040140 DHHPROPUFCYVSG-QMTHXVAHSA-N 310.354 -0.048 30 20 DBED CN(/C(O)=N/C[C@@H]1COCCO1)[C@H]1CCN(S(C)(=O)=O)C1 330179546 FKQFXQDBJNARSQ-WDEREUQCSA-N 321.399 -0.719 30 20 DBED CC[C@@H]1CN(/C(O)=N/Cc2nnn(C)n2)CCN1CCOC 330219891 KLMFPXZFYBPEFX-LLVKDONJSA-N 311.390 -0.333 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)NCCN1C(=O)CCC1=O 330408503 HVMUBUFYJPTMKQ-SECBINFHSA-N 302.356 -0.796 30 20 DBED CC[C@@]1(CO)CCCN(/C(O)=N/CCS(=O)(=O)NC)C1 331281221 FVFWMEHQNQYEGZ-GFCCVEGCSA-N 307.416 -0.066 30 20 DBED CCS(=O)(=O)NCCS(=O)(=O)N[C@H]1CCC[C@@H]1C#N 331353146 XVQNTYWRSMMBFN-ZJUUUORDSA-N 309.413 -0.463 30 20 DBED CCN(CCC#N)C(=O)CN1CCc2c(ncn(C)c2=O)C1 332689859 PVLKHLBPLGGBTR-UHFFFAOYSA-N 303.366 -0.099 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N2CC[C@@H]([C@@H]3CCOC3)C2)CCO1 336889588 IOAZNVHUOPHPNX-JHJVBQTASA-N 315.395 -0.186 30 20 DBED CCCCCN(CC(N)=O)S(=O)(=O)N1CCO[C@H](C#N)C1 336897285 OHRFEEOFBNLAMF-LLVKDONJSA-N 318.399 -0.567 30 20 DBED C=CCCO[C@H](C)C(=O)NCC(=O)NCCN1CCOCC1 346567606 GNWRKPQFTMKLTB-CYBMUJFWSA-N 313.398 -0.468 30 20 DBED C[C@@H](C#N)N(C)S(=O)(=O)CCCCS(=O)(=O)N(C)C 349566747 OTVPVOZRDGNERL-JTQLQIEISA-N 311.429 -0.168 30 20 DBED C=CCN(CCOC)C(=O)NC[C@H]1CS(=O)(=O)CCO1 359249949 JTJMSKPSGUUJRH-NSHDSACASA-N 306.384 -0.356 30 20 DBED N#CCCCS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 408076353 HNRQYNYIADOHBB-LBPRGKRZSA-N 315.395 -0.057 30 20 DBED C=C(C)COCCNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C 419405278 SLBNVBJRQHRLLN-RYUDHWBXSA-N 313.398 -0.076 30 20 DBED CC(C)(O)CN1CCN(C(=O)C(=O)NCC(C)(C)CC#N)CC1 422482977 UMWWHAFQDSOFRZ-UHFFFAOYSA-N 324.425 -0.042 30 20 DBED C=CCSCCNC(=O)N1CCS(=O)(=O)[C@H](C(=O)O)C1 424398746 WBJOWHORLKAUAI-VIFPVBQESA-N 322.408 -0.201 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2C[C@@H](C)N[C@H](C)C2)nn1 424548502 PXUDMTKNBOZCEZ-GHMZBOCLSA-N 306.370 -0.711 30 20 DBED CS(=O)(=O)N1CC(CNC(=O)CNc2cccc(C#N)c2)C1 428881811 OLJMCWDAAMWEJD-UHFFFAOYSA-N 322.390 -0.022 30 20 DBED COC(=O)NCCC(=O)NS(=O)(=O)CC1(C#N)CCC1 495388644 WRGWPLGYRRDYPS-UHFFFAOYSA-N 303.340 -0.128 30 20 DBED O=C1c2ccccc2C(=O)N1CC#CCN1C[C@@H](O)C[C@H]1CO 528426215 DXZKXRQLYUIVQS-STQMWFEESA-N 314.341 -0.287 30 20 DBED CC(C)C(=O)N[C@@H](CO)C(=O)NCC(=O)c1ccc(C#N)cc1 570315030 BYDCRUBHUHALSW-ZDUSSCGKSA-N 317.345 -0.010 30 20 DBED C=CCOC[C@H](NC(=O)[C@H]1CCc2nnnn2CC1)C(=O)OC 573330101 FSQDEZXQBQUFNX-QWRGUYRKSA-N 323.353 -0.514 30 20 DBED N#CC1CN(C(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)C1 590487727 UFZRUUDZPURMAB-FPQZTECRSA-N 303.318 -0.479 30 20 DBED CC#CC[C@@H](CO)NC(=O)NCCn1cc(C(=O)OC)nn1 592020671 VJTZIZSUXBISHS-JTQLQIEISA-N 309.326 -0.862 30 20 DBED CC#CC[C@H](CO)NC(=O)Nc1ccn(CC(=O)OCC)n1 594172757 PMDJWHKDOLHCBS-LLVKDONJSA-N 308.338 0.342 30 20 DBED C[C@@H]1CN(S(=O)(=O)N2CCO[C@H](C#N)C2)C[C@]1(C)CO 595381895 LMOKKXPXZHXVMP-IJLUTSLNSA-N 303.384 -0.594 30 20 DBED Cc1nnc(CN(C)c2c(C#N)c(=O)n(C)c(=O)n2C)s1 596557415 TUVAAZJCFYJEEJ-UHFFFAOYSA-N 306.351 -0.248 30 20 DBED CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N1CC[C@@](F)(C#N)C1 596747177 CJJCVPNAJWVBHV-IQJOONFLSA-N 305.331 -0.554 30 20 DBED Cc1cc(S(N)(=O)=O)oc1C(=O)N1CCN(CC#N)CC1 597275289 VYXUMCUFKDYCIA-UHFFFAOYSA-N 312.351 -0.483 30 20 DBED COC(=O)C[C@@H](O)CNS(=O)(=O)Cc1ccc(C#N)cc1 599464042 JBGSDOSZXSQDJX-GFCCVEGCSA-N 312.347 -0.098 30 20 DBED CC(C)OCCCNC(=O)C(=O)N1CCN(CCC#N)CC1 602223605 TVKBNZNHRCHFMB-UHFFFAOYSA-N 310.398 -0.024 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@](O)(CC)C2)C1=O 634205785 DRUCGJKEOSRTGJ-OAHLLOKOSA-N 323.349 -0.273 30 20 DBED C=CCC[C@H](CO)NC(=O)C(=O)Nc1cnn(CCN(C)C)c1 651841273 LPMAMKBFZIPEGY-GFCCVEGCSA-N 323.397 -0.174 30 20 DBED C=CCN1CCC(NC(=O)C(=O)N2CCNC(=O)C[C@H]2C)CC1 672355682 UNWDYXPOUZEFDN-GFCCVEGCSA-N 322.409 -0.510 30 20 DBED CN(CCS(N)(=O)=O)S(=O)(=O)c1ccc(CC#N)cc1 719714296 OMNCDDAUIQHREH-UHFFFAOYSA-N 317.392 -0.338 30 20 DBED C#CCOCCNC(=O)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 753386058 ZUFKINAEKHZBGD-OAHLLOKOSA-N 322.365 -0.344 30 20 DBED CCS(=O)(=O)NCC(=O)O[C@@H](C)C(=O)N(C)CCC#N 767389481 SRVMBIMXCOHKTK-VIFPVBQESA-N 305.356 -0.771 30 20 DBED C#C[C@H](NC(=O)CN(C)[C@@H]1CCS(=O)(=O)C1)[C@H]1CCCO1 776262635 FPBHDDWALDZUQS-FRRDWIJNSA-N 314.407 -0.598 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)[C@H]1CCC[C@@H](C(N)=O)C1 787825403 QBMYAWUBSPTOOG-ZJUUUORDSA-N 311.338 -0.167 30 20 DBED COC(=O)C[C@H]1CCC(=NNC(=S)NCC(N)=O)[C@@H]1C 794510629 VWARICDXIMYQAK-HTQZYQBOSA-N 300.384 -0.099 30 20 DBED C#CCC[C@@H](O)CNC(=O)NCCS(=O)(=O)CC1CC1 798440001 FWMXAXYBHZNYKQ-GFCCVEGCSA-N 302.396 -0.115 30 20 DBED C=CCN1CC[C@@H](N(C)S(=O)(=O)CCS(C)(=O)=O)C1=O 798466575 XNZVVODGIJXOSQ-SNVBAGLBSA-N 324.424 -0.921 30 20 DBED C#CCCCNC(=O)C(=O)N1CCN(c2ccnc(C)n2)CC1 806917125 YPKIYBSIZVFMJB-UHFFFAOYSA-N 315.377 -0.037 30 20 DBED C=CCC1(S(=O)(=O)NC(=O)CN(C)S(C)(=O)=O)CC1 810983133 IXMIKMJOVNFOAE-UHFFFAOYSA-N 310.397 -0.568 30 20 DBED CC(C)[C@@](C)(C#N)NC(=O)COC(=O)CCn1ncn(C)c1=O 815272566 WVBUNPGLKSXZPP-CQSZACIVSA-N 323.353 -0.430 30 20 DBED COc1cccc(C(=O)NCC(=O)N[C@@H]2CCCN(O)C2=O)c1 816752430 CQTJNJRZDFSAEU-GFCCVEGCSA-N 321.333 -0.079 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CC[C@@](C)(C(=O)O)C1)[C@H]1CCCO1 817111676 IEIWMTQWECUOLU-FIXISWKDSA-N 308.334 -0.393 30 20 DBED N#Cc1c(-c2nn[nH]n2)ncn1Cc1cc(=O)n2ccccc2n1 826383305 UGTJNHYJGUDUFA-UHFFFAOYSA-N 319.288 -0.009 30 20 DBED C[C@H](CC(=O)O)N1CCN(C(=O)Cn2cnc(C#N)n2)CC1 827369209 QWPKJFFORBDVHO-SNVBAGLBSA-N 306.326 -0.843 30 20 DBED C#CC1CCN(C(=O)CN2C(=O)C(=O)N(CC=C)C2=O)CC1 843707792 GGRLTQUSZYVDJE-UHFFFAOYSA-N 303.318 -0.165 30 20 DBED C=CCN1CC[C@H](OC(=O)CN(C)S(=O)(=O)N(C)C)C1=O 845204453 XEFSKERTZDQXTK-JTQLQIEISA-N 319.383 -0.945 30 20 DBED CON(C)S(=O)(=O)CCCS(=O)(=O)N(C)[C@H](C)C#N 848957720 URBZGDVDVLGRQI-SECBINFHSA-N 313.401 -0.627 30 20 DBED C[C@](C#N)(NC(=O)COC(=O)C1(n2cnnn2)CC1)C1CC1 849992330 ADFIBHIQKTUGON-GFCCVEGCSA-N 304.310 -0.486 30 20 DBED COC(=O)CNC(=O)CN1CCN(c2ccc(C#N)nc2)CC1 879928401 NJUCVVZZHLRRLF-UHFFFAOYSA-N 317.349 -0.636 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)CCC)CC1 891460974 LNAZGKUVIKOCRS-GFCCVEGCSA-N 316.427 -0.030 30 20 DBED C#CCN(C)CCCNC(=O)[C@@]1(OC)CCS(=O)(=O)C1 908437510 PLCOUUCSWGHIRU-CYBMUJFWSA-N 302.396 -0.739 30 20 DBED CN(C)CC#CCNC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O 913514931 BCLDWXHPPPINBM-CHWSQXEVSA-N 305.378 -0.157 30 20 DBED COc1nccc(C(=O)N[C@H]2CCN(C(=O)[C@@H](C)C#N)C2)n1 938357734 ABFRDJLWSFNBPM-UWVGGRQHSA-N 303.322 -0.024 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)[C@H](C)C1 943229086 BQLKZRNPSMSIHY-DGCLKSJQSA-N 318.377 -0.843 30 20 DBED C[C@H](C#N)C(=O)N1CCCC[C@H](NC(=O)Cn2ncnn2)C1 943268086 HVPVUPXWAKWKHL-MNOVXSKESA-N 305.342 -0.670 30 20 DBED C=CCn1cccc1C(=O)NC[C@H]1CCCN1C(=O)C(N)=O 944246985 AZIKPWUEIXCOPJ-LLVKDONJSA-N 304.350 -0.120 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)c2ccncn2)C1 944734616 RTYYCBOKPWEZEO-MNOVXSKESA-N 303.322 -0.407 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1ncc[nH]1 949828211 QSEOXNNVROKPSU-OLZOCXBDSA-N 315.377 -0.162 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]1CNC(=O)c1ccnc2[nH]nnc12 951326318 LUHSPUCKRUXAKF-IUCAKERBSA-N 313.321 -0.157 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1nc[nH]n1 951572762 ABVSYLVTQYVFIQ-NEPJUHHUSA-N 316.365 -0.767 30 20 DBED C[C@H](NC(=O)c1c[nH]c(C#N)c1)[C@@H]1CCCCN1C(=O)C(N)=O 953650107 XYCWLNJEBLWSRQ-CABZTGNLSA-N 317.349 -0.129 30 20 DBED CCn1cc(CC(=O)N(C)C2CN(C(=O)C#CC3CC3)C2)nn1 954998173 PMGMZHBAMVGMIL-UHFFFAOYSA-N 315.377 -0.077 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 955365537 RTLLYHAHOQAPDW-NDBYEHHHSA-N 321.377 -0.632 30 20 DBED C=CCCN1C[C@H](CNC(=O)c2ccc(=O)n(C)c2)[C@@H](O)C1 958202741 KQFYVQVGSICSTL-KBPBESRZSA-N 305.378 -0.016 30 20 DBED N#CCN1C[C@@H](O)[C@H](CNC(=O)c2nccn3ccnc23)C1 958419187 YZHRUZNBZFMOSR-GHMZBOCLSA-N 300.322 -0.725 30 20 DBED C#CCN1C[C@H]2[C@H](NC(=O)[C@@H]3CC(=O)N(CCOC)C3)[C@H]2C1 960166147 LSADEXGYVLWFOP-CXTNEJHOSA-N 305.378 -0.839 30 20 DBED C#CCCN1C[C@@H]2C(NC(=O)c3cc(C(N)=O)cn3C)[C@H]2C1 960826657 MMCSUKSRPYEJRE-RYUDHWBXSA-N 300.362 -0.193 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H]2CN(C(=O)c3csnn3)C[C@@H]21 960878678 OHMHTVRNDHYRHV-DVVUODLYSA-N 321.362 -0.250 30 20 DBED O=C(NC[C@H]1COCCN1C(=O)C#CC1CC1)[C@@H]1[C@H]2COC[C@H]21 964320642 VLHITOFXJYVXRG-TTZDDIAXSA-N 318.373 -0.364 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CN(C(=O)c3n[nH]cc3F)CCO2)C1 965476970 KQOWOSOOFYYEKX-SECBINFHSA-N 321.312 -0.238 30 20 DBED N#Cc1ccc(CN[C@@H]2CCN(C(=O)Cn3cnnn3)C2)cc1 966889991 WTMVLARJIARJLV-CQSZACIVSA-N 311.349 -0.065 30 20 DBED CCOc1cc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)on1 968959736 RVKCFUKIDRBJTI-BBBLOLIVSA-N 322.321 -0.466 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@]2(CN(Cc3cnn(C)n3)CCO2)C1 972298121 QICFWMSEYBFVGW-DOMZBBRYSA-N 318.381 -0.222 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@]2(CN(CCO)CCO2)C1 972417380 UKRUFUNJQQOUND-RDJZCZTQSA-N 321.421 -0.620 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)C[C@@H]3CCN(C)C3=O)C2)C1 972425631 PPYQWOOXQDCHOQ-YOEHRIQHSA-N 319.405 -0.209 30 20 DBED C=CCN1CCO[C@@]2(CCN(C(=O)c3c[nH]c(=O)cn3)C2)C1 972523382 INLNQIKSNDYNDJ-HNNXBMFYSA-N 304.350 -0.127 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)Cc2nc[nH]n2)C1 974411928 XWZQJZMPQXETBJ-KXNHARMFSA-N 319.365 -0.298 30 20 DBED CC1(C)CN(CC#N)C[C@@H]1NC(=O)c1nccnc1C(N)=O 977568866 SQQBOEOUGSICQO-VIFPVBQESA-N 302.338 -0.461 30 20 DBED C#CCN1CCCN(C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)CC1 981949608 QTKQBQYQYWJZKR-UONOGXRCSA-N 307.394 -0.210 30 20 DBED C#Cc1ccc(C(=O)N2CC(NC(=O)c3cc[n+]([O-])cc3)C2)nc1 990146091 SYKLNZVRSALEMH-UHFFFAOYSA-N 322.324 -0.049 30 20 DBED N#Cc1cc(C(=O)N2CC(NC(=O)c3cnns3)C2)c[nH]1 990353097 IFKUWTPEPQUQFD-UHFFFAOYSA-N 302.319 -0.008 30 20 DBED C=CCn1cc(C(=O)N2CC(NC(=O)[C@H]3CCCN3C)C2)nn1 990523904 LWPOLFZQTKILJT-CYBMUJFWSA-N 318.381 -0.501 30 20 DBED C#Cc1ccc(C(=O)N2CC(NC(=O)Cc3ccn(C)n3)C2)nc1 991328200 NWEQLMBQZSHSRG-UHFFFAOYSA-N 323.356 -0.020 30 20 DBED C#CCCN1CCC[C@H](NC(=O)CN2CCNC(=O)C2)[C@H]1C 993702517 PJVUWHJHEWNMLE-KGLIPLIRSA-N 306.410 -0.589 30 20 DBED Cn1cnn(CCC(=O)N2C[C@@H](NCC#N)C(C)(C)C2)c1=O 996088161 WBOBFZVAQLDWEX-LLVKDONJSA-N 306.370 -0.678 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)[C@@H]2CN3CC4CC3(CO2)C4)C1 997055944 VLQHWAKORJQXRZ-WXPRMRQPSA-N 318.377 -0.664 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)[C@]2(C)CCC(=O)N2)C1 999185898 BPVVONIEXGYVJG-WQGACYEGSA-N 321.377 -0.427 30 20 DBED C=C1CC(C)(C(=O)NC2CN(C(=O)CN3C(=O)CCC3=O)C2)C1 999293042 NDJFZVOQRAEHKD-UHFFFAOYSA-N 319.361 -0.181 30 20 DBED CC#CCN1CCC[C@@H](NC(=O)CN2CCC(=O)NC2=O)C1 1009103641 MPDMSSHOFSWDQD-GFCCVEGCSA-N 306.366 -0.468 30 20 DBED O=C1CC[C@@H](C(=O)NCC2[C@H]3CN(C(=O)C#CC4CC4)C[C@H]23)N1 1009317875 ZHRQIOZXOJGFBG-MCIONIFRSA-N 315.373 -0.501 30 20 DBED C=CCN1CC[C@@H](NC(=O)C2(n3cnnn3)CCOCC2)C1 1015823591 UNNCDLSRCBGOEH-GFCCVEGCSA-N 306.370 -0.445 30 20 DBED C=C(Cl)CN1CC[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)C1 1016136626 CPKZMRRBONHXIS-LLVKDONJSA-N 313.789 -0.167 30 20 DBED C=CCn1cc(C(=O)N[C@H]2C[C@H](N[C@@H](CC)C(N)=O)C2)nn1 1020699826 AIILARDSPIRYLX-DCAQKATOSA-N 306.370 -0.422 30 20 DBED C=CCn1cc(C(=O)N[C@H]2C[C@@H](N[C@H]3CCN(C)C3=O)C2)nn1 1022824151 QVALKNDPXFEUTO-TUAOUCFPSA-N 318.381 -0.455 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCNC(=O)C2)C1 1023387818 YUMCOHCJORFVRR-QJPTWQEYSA-N 323.393 -0.587 30 20 DBED CCCn1nccc1C(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1O 1024018835 FBMBOVAQOJGISW-DMDPSCGWSA-N 319.365 -0.246 30 20 DBED C=CCN1CCC[C@@H]1CNC(=O)c1cc(=O)n2[nH]cnc2n1 1028260202 IREIIMLIVUICMN-SNVBAGLBSA-N 302.338 -0.202 30 20 DBED C=C(C)CN1CC[C@@H](N(C)C(=O)CN2CCN(C)C(=O)C2)C1 1033209176 YQYYUBOMULKDTI-CQSZACIVSA-N 308.426 -0.131 30 20 DBED C#CCCN1CCO[C@H](CNC(=O)c2ccnc3[nH]nnc23)C1 1035441054 VGXSWTLGFXINRU-LLVKDONJSA-N 314.349 -0.193 30 20 DBED CC#CCN1CCO[C@H](CNC(=O)[C@H]2CCCS2(=O)=O)C1 1035606124 ADUJZQWUBNXMOY-CHWSQXEVSA-N 314.407 -0.596 30 20 DBED C#CCN[C@H]1CCN(C(=O)c2nc(O)nc(O)c2OC)C[C@@H]1C 1036256726 HKQJRSFTUXDVFM-UWVGGRQHSA-N 320.349 -0.030 30 20 DBED C#CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1cc2c(=O)[nH]c(C)cn2n1 1037517346 AQMDGQZAQAXKHO-SCDSUCTJSA-N 311.345 -0.233 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)[C@H]2CCCOC2)C1 1042936684 MZEFEDDQYGSIRC-ZDUSSCGKSA-N 308.378 -0.238 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)Cc2ccco2)C1 1043032826 JGIRXUVWSZLWQM-UHFFFAOYSA-N 320.345 -0.449 30 20 DBED Cc1nccn1CC(=O)NCC1(O)CN(C(=O)[C@H](C)C#N)C1 1043126752 CQWMIRSXUHNQHV-SNVBAGLBSA-N 305.338 -0.959 30 20 DBED C=CCCOCC(=O)NCC1(O)CN(C(=O)c2ccc[nH]2)C1 1043566698 XVENLPCTKREVKK-UHFFFAOYSA-N 307.350 -0.090 30 20 DBED C=CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2ccn(C)c2)C1 1043571304 NEZDMORCGNYHDD-LBPRGKRZSA-N 321.377 -0.081 30 20 DBED C=C[C@H](CC)CC(=O)NCC1(O)CN(C(=O)[C@H]2CCC(=O)N2)C1 1045064461 RVLBAZJLXIHYBG-VXGBXAGGSA-N 323.393 -0.443 30 20 DBED Cc1cc(C)n(CC(=O)N2CC(O)(CNC(=O)[C@H](C)C#N)C2)n1 1045554889 LOZZNJFMLLZFEE-SNVBAGLBSA-N 319.365 -0.651 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2oncc2C)C1 1045681848 ZOMWMYDQIJOADJ-NSHDSACASA-N 323.349 -0.123 30 20 DBED CN(C(=O)c1c[nH]nc1[C@H]1CCCO1)[C@H]1CN(CC#N)C[C@@H]1O 1047500835 KJEVMMPTFSXAMZ-RWMBFGLXSA-N 319.365 -0.098 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)Cc2nc3ncccn3n2)C1 1047627185 NADUPIDFMDCUHK-RYUDHWBXSA-N 316.365 -0.644 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3c[nH]nc3C2)C1 1047634687 MPVUGQWUDQYQPO-UGFHNGPFSA-N 302.378 -0.349 30 20 DBED C=C[C@@](C)(O)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)OC)C1 1048413802 GHAFFEOAYKYXNK-JUFZMCDQSA-N 314.382 -0.622 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)[C@H]1CN(C(=O)[C@H]2CCOC2)C[C@@H]1O 1048852198 HKDZAGFHKWRKIS-XUXIUFHCSA-N 324.377 -0.909 30 20 DBED C#Cc1cncc(C(=O)N2C[C@@H]3CN([C@@H]4CCNC4=O)C[C@@H]3C2)c1 1049047527 KKLVUPLKGQLSAO-OWCLPIDISA-N 324.384 -0.045 30 20 DBED C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1nc(C)n(C)c1=O 1049872861 ZXBIOTSGNJUBHQ-UONOGXRCSA-N 317.393 -0.411 30 20 DBED N#CCN1CCC2(CC1)CN(C(=O)CC[C@@H]1NC(=O)NC1=O)C2 1050748501 PWHCRGUUIMYRQK-NSHDSACASA-N 319.365 -0.577 30 20 DBED CC#CCN1CCOC[C@H]1CNC(=O)c1ccn(C)c(=O)c1 1050987908 XJHNPIGTNIRNAG-CQSZACIVSA-N 303.362 -0.161 30 20 DBED C#CCCN1CCOC[C@@H]1CNC(=O)c1cn(C)c(=O)cn1 1051030589 BIMORPZXHZDLNH-LBPRGKRZSA-N 304.350 -0.766 30 20 DBED C=CCCN1CCN([C@@H]2CCN(C(=O)Cn3ncnn3)C2)CC1 1052027484 GLVGCUVEOJRFPS-CQSZACIVSA-N 319.413 -0.532 30 20 DBED C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2COC3(C2)CN(CC#N)C3)C1 1053976663 HEFKIQGUYRVSDV-NEPJUHHUSA-N 306.366 -0.662 30 20 DBED C=C(C)CN1CC2(C[C@H](NC(=O)CN3C(=O)CCC3=O)CO2)C1 1054003222 PXWMYELJSMANDJ-LBPRGKRZSA-N 321.377 -0.329 30 20 DBED N#Cc1ccc(N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)Cn2nccn2)nn1 1055396267 MEUGXUJPSXBTHO-UPJWGTAASA-N 324.348 -0.134 30 20 DBED C[C@H](C(=O)N[C@H]1[C@@H]2CN(c3nccnc3C#N)C[C@@H]21)n1cncn1 1056168274 JGKRHRSLCAFHMD-DCQANWLSSA-N 324.348 -0.248 30 20 DBED N#Cc1cccnc1N1C[C@H]2[C@H](NC(=O)Cc3nc[nH]n3)[C@H]2C1 1056297900 RFWTXRLDIDWPBC-YABSGUDNSA-N 309.333 -0.135 30 20 DBED CC(C)C#CC(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)CNC(N)=O 1056390230 RNFPTWAZHDYWDK-OLZOCXBDSA-N 320.393 -0.094 30 20 DBED N#Cc1cncc(N[C@@H]2CCN(C(=O)Cn3cnnc3O)C2)n1 1056610044 DJUVLRHZYYOFRT-SECBINFHSA-N 314.309 -0.642 30 20 DBED C#Cc1cncc(C(=O)NCCN(CCO)C(=O)C(F)F)c1 1056750104 RDJQJFZWCGSROY-UHFFFAOYSA-N 311.288 -0.121 30 20 DBED CN(c1ccc(C#N)nn1)[C@@H]1CCN(C(=O)c2cnn(C)n2)C1 1056938189 CRGOVQCEADRFNO-LLVKDONJSA-N 312.337 -0.172 30 20 DBED C#CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)[C@H](C)OCC 1057066033 UOXARAZKJUYBKB-STQMWFEESA-N 314.382 -0.613 30 20 DBED Cc1nnc(CC(=O)N(CCO)CCNC(=O)[C@@H](C)C#N)o1 1057495484 LWUKKROGEQKAOA-VIFPVBQESA-N 309.326 -0.983 30 20 DBED O=C(NCCN(CCO)C(=O)C#CC1CC1)[C@@H]1C[C@H]1[N+](=O)[O-] 1057531514 RWUOHRHOUDNJGC-VXGBXAGGSA-N 309.322 -0.998 30 20 DBED C=CCC(C)(C)C(=O)N(CCO)CCNC(=O)c1cnnn1C 1057601808 ULSBCUFFMNCDMR-UHFFFAOYSA-N 323.397 -0.032 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)[C@@]1(C)CNC(=O)C1 1058131682 SJFQGHQFHANDJG-MRXNPFEDSA-N 323.393 -0.891 30 20 DBED N#Cc1ccc(N2CCC[C@@H](NC(=O)[C@H]3CCNC3=O)C2)nn1 1058220741 LLJPRXIRJXOEJT-NEPJUHHUSA-N 314.349 -0.431 30 20 DBED Cn1c(C(=O)N[C@H]2CCN(c3ccnc(C#N)n3)C2)cnc1O 1058507263 BMJIDWCUXWPKPQ-VIFPVBQESA-N 313.321 -0.204 30 20 DBED CN1CCO[C@H](C(=O)N[C@H]2C[C@@H](N=c3cc[nH]cc3C#N)C2)C1 1059587446 WPIKHERIBFAFAF-GUTXKFCHSA-N 315.377 -0.235 30 20 DBED CNC(=O)NCC(=O)NCC[C@H]1CCN(C(=O)C#CC(C)C)C1 1059613542 BPVQIBABPQUCRZ-ZDUSSCGKSA-N 322.409 -0.070 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)CCc1ncc[nH]1 1061544114 BAELAEXOPBSOOS-RYUDHWBXSA-N 319.365 -0.154 30 20 DBED CC(C)C#CC(=O)NC[C@H]1COCCN1C(=O)c1cnnn1C 1061566398 LXKFASUIVWBNRI-LBPRGKRZSA-N 319.365 -0.568 30 20 DBED Cc1nonc1CC(=O)NC[C@@H]1COCCN1C(=O)[C@H](C)C#N 1061855398 OAZQARMCJURNEB-MWLCHTKSSA-N 321.337 -0.576 30 20 DBED CCN(C)CCC(=O)NC[C@@H]1COCCN1C(=O)[C@@H](C)C#N 1061899507 ZKGYGIVLZHAIKO-QWHCGFSZSA-N 310.398 -0.169 30 20 DBED C#CCO[C@H](C)C(=O)NC1(CNC(=O)[C@H](C)CC(N)=O)CCC1 1063902516 DOMLLRPYWQEFGJ-VXGBXAGGSA-N 323.393 -0.309 30 20 DBED N#Cc1cccnc1N1C[C@H]2C[C@H]1[C@@H]2NC(=O)Cn1cnnn1 1064217177 PPCZUIQQCVBAHY-NTZNESFSSA-N 310.321 -0.667 30 20 DBED COCC1(C(=O)NC[C@H]2CN(C(=O)[C@H](C)C#N)CCO2)CC1 1065562428 ZJUIMMSXEAYEGI-NEPJUHHUSA-N 309.366 -0.084 30 20 DBED Cc1cc(C#N)nc(NC[C@H]2CN(C(=O)CC(N)=O)CCO2)n1 1066607949 ZNBYXLVARSZXJM-NSHDSACASA-N 318.337 -0.829 30 20 DBED Cc1cc(C#N)nc(N2CCC[C@H](N(C)C(=O)C(N)=O)CC2)n1 1067607621 FDUAWRMUMWLDFO-LBPRGKRZSA-N 316.365 -0.041 30 20 DBED N#Cc1cccnc1N1C[C@H](O)[C@H](CNC(=O)c2cc[nH]n2)C1 1067652865 ZJDXGOMFEXIDIL-YPMHNXCESA-N 312.333 -0.097 30 20 DBED N#Cc1cnc(N2C[C@H]3CC[C@H]2CN3C(=O)Cn2cncn2)cn1 1068044050 RFBBBWBDXDPJFD-QWHCGFSZSA-N 324.348 -0.180 30 20 DBED C=CCOCC(=O)N1CCOC2(C1)CN(C(=O)C(F)F)C2 1068355096 HXLIHJZGMRDCAI-UHFFFAOYSA-N 304.293 -0.106 30 20 DBED CCCN(C)CC(=O)N1CC2(C1)CN(C(=O)[C@H](C)C#N)CCO2 1068451262 JSAHUJBFZFWZDB-CYBMUJFWSA-N 322.409 -0.072 30 20 DBED N#Cc1cnc(NC[C@H]2C[C@H](NC(=O)Cn3cncn3)C2)cn1 1068490461 UORBNNBNVLMIPP-XYPYZODXSA-N 312.337 -0.053 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1COC2(C1)CN(C(=O)CCN(C)C)C2 1069007497 GNOKABTYVFBZED-VXGBXAGGSA-N 308.382 -0.416 30 20 DBED C[C@H]1C[C@@H](Nc2nccnc2C#N)CN1C(=O)c1nnn(C)n1 1069177819 GIVZXCPGWYUKBE-DTWKUNHWSA-N 313.325 -0.413 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)Cn2ccnc2)C1 1070108330 XPODQABVRBAZES-OLZOCXBDSA-N 301.354 -0.298 30 20 DBED C=CCN[C@@H]1CN(C(=O)C[C@@H]2CCC(=O)N2)C[C@@H]1n1ccnn1 1070294370 SRJLOECMSLAIAQ-XQQFMLRXSA-N 318.381 -0.526 30 20 DBED C=CCN[C@@H]1CN(C(=O)Cc2nc[nH]n2)C[C@@H]1n1ccnn1 1070308589 AIQQBPAQHSACOK-MNOVXSKESA-N 302.342 -0.834 30 20 DBED C=CCN1C[C@H]2C[C@@H]3CN(C(=O)[C@H]4CN(C)CCO4)C[C@@]3(C1)O2 1070779736 GJIHPBWNYQQWCB-KCYZZUKISA-N 321.421 -0.195 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H](N2CCN(CCCO)CC2=O)C1 1071258796 QXHVLKBUSYLDEN-KGLIPLIRSA-N 322.409 -0.336 30 20 DBED C#CCCCC(=O)N1C[C@H](C)[C@@H](NC(=O)CCNC(N)=O)C1 1071991281 ICBNCFQRCPQVHV-RYUDHWBXSA-N 308.382 -0.189 30 20 DBED C[C@H]1CN(C(=O)CCn2cnnn2)C[C@H]1NC(=O)C#CC1CC1 1072598925 CLXYDQBGCJBUIB-WCQYABFASA-N 316.365 -0.560 30 20 DBED C[C@H]1CN(C(=O)C(N)=O)C[C@@H]1NC(=O)CC#Cc1ccccc1 1072641073 KFHOEXXBIAMTDZ-JSGCOSHPSA-N 313.357 -0.123 30 20 DBED C=CCCC(=O)NCC1(O)CCN(C(=O)[C@@H]2CCNC2=O)CC1 1074659323 DZCNZTHGTAQBCY-GFCCVEGCSA-N 323.393 -0.442 30 20 DBED C[C@@H](CCNC(=O)c1c[nH]c(C#N)c1)NC(=O)CC(=O)N(C)C 1076218096 VXOUEIWPTFWLSC-JTQLQIEISA-N 319.365 -0.011 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H](C)CCNC(=O)[C@H]1CCCC(=O)N1 1076997203 IVUKLGHWYBYIPJ-YNEHKIRRSA-N 323.393 -0.296 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3nnn(C)c3C2)C1 1077576481 PIRPGBIINWFMIY-ZKYQVNSYSA-N 305.382 -0.733 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3cnc(C)n3C2)C1 1077583696 IXQHTUYJBFTCBG-NUEKZKHPSA-N 316.405 -0.061 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H](C)CCNC(=O)Cn1cncn1 1078570445 LUNUICATLASJDU-SMDDNHRTSA-N 309.370 -0.384 30 20 DBED C=CCN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)Cn1cnc(C(N)=O)n1)C2 1078952587 ZRHJHVXWOROPSV-IJLUTSLNSA-N 318.381 -0.468 30 20 DBED C=CCOCC(=O)N(CC)C1CN(C(=O)[C@@H]2CC(=O)N(C)C2)C1 1079494114 RTDMNYIPCNMKQZ-GFCCVEGCSA-N 323.393 -0.273 30 20 DBED CCN(C(=O)C1(NC(N)=O)CC1)C1CN(C(=O)[C@@H](C)C#N)C1 1079636228 GSJJFADYRBOAMH-VIFPVBQESA-N 307.354 -0.594 30 20 DBED C#CCOCCC(=O)N(CC)C1CN(C(=O)CNC(=O)CC)C1 1079772459 VEBBPWXMVXRPRW-UHFFFAOYSA-N 323.393 -0.388 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(N(CC)C(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1080294814 VNSIROBODZSGFP-RZFFKMDDSA-N 320.389 -0.024 30 20 DBED CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)CCc2cnn[nH]2)C1 1080415609 ADJFJYSBIKJWNK-JTQLQIEISA-N 304.354 -0.044 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CSC)C1 1081237866 VBVFYIGBJGLTNB-WDEREUQCSA-N 302.396 -0.513 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)c2cncnc2O)C[C@H]1O 1081337498 FWQMGWJFPBYDSY-ZYHUDNBSSA-N 320.349 -0.303 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2nccnc2N)C1 1081348344 BKBVLJCMSRUACZ-WDEREUQCSA-N 319.365 -0.426 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)c2ccnn2C)C[C@@H]1O 1081441020 CLEJODUZFBCHFH-OCCSQVGLSA-N 318.377 -0.227 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)c2ncccn2)C[C@@H]1O 1081463168 KCJKBHQDVNABQE-OLZOCXBDSA-N 316.361 -0.315 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)c2cnns2)C[C@H]1O 1081463767 RUIVGHRZHNBDFA-GHMZBOCLSA-N 322.390 -0.253 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1081463855 SQBRHWRKLFDQFQ-LSDHHAIUSA-N 302.374 -0.005 30 20 DBED C=CC(C)(C)CC(=O)NC[C@@H]1CN(C(=O)c2cnn[nH]2)C[C@@H]1O 1081514205 PSNPMSJIIVTYSC-PWSUYJOCSA-N 321.381 -0.044 30 20 DBED C=CCCOCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cnon2)C1 1081684376 FOLDBEPPZKIVFL-CMPLNLGQSA-N 324.337 -0.789 30 20 DBED C=CCCC(=O)N1C[C@H](CNC(=O)Cc2cnc[nH]2)[C@@H](O)C1 1081799969 FQTSTHGSDMRPDR-AAEUAGOBSA-N 306.366 -0.146 30 20 DBED CNC(=O)NCC(=O)NC[C@@H]1CCCCN1C(=O)[C@@H](C)C#N 1082267140 IKOBSONHDOIKJN-QWRGUYRKSA-N 309.370 -0.428 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)Cc1c(C)nc(C)nc1O 1082367278 WOIFSGQXBDRIDL-CHWSQXEVSA-N 319.365 -0.319 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(Cc2nc(C)no2)C[C@@H]1O 1083789773 VTEMCULBSDALLH-NDBYEHHHSA-N 322.365 -0.370 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2cc3c(O)ncnc3cn2)C1 1084005089 IGFIAMXUEVLRKL-OLZOCXBDSA-N 313.317 -0.862 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2ccn(CCN(C)C)n2)[C@@H](O)C1 1090273154 SBMAGSNPMOLBKR-HIFRSBDPSA-N 319.409 -0.757 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2ccc3nn[nH]c3n2)[C@@H](O)C1 1090314165 WXYBOBNLDRJJLX-MFKMUULPSA-N 314.349 -0.459 30 20 DBED C#CCCN1CC[C@@H](NC(=O)Cn2cc(C3CC3)nn2)[C@H](O)C1 1090318193 GISTUDQSFNBEQT-UKRRQHHQSA-N 317.393 -0.270 30 20 DBED C#CCN1CC[C@H](NC(=O)Cc2cnccc2OC)[C@H](O)C1 1090358789 PHTJJJYXPFGFDW-UONOGXRCSA-N 303.362 -0.183 30 20 DBED CCO[C@H](CC)C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1O 1090378166 STTYTPVRNIBSAM-JHJVBQTASA-N 319.365 -0.171 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2ccn(CCOC)n2)[C@H](O)C1 1090419595 BAKATRHYGGCMLD-TZMCWYRMSA-N 306.366 -0.672 30 20 DBED CC(=O)Nc1cc(C(=O)N[C@@H]2CCN(CC#N)C[C@H]2O)ccn1 1090658442 YOKYTVZDPGVUJF-CHWSQXEVSA-N 317.349 -0.271 30 20 DBED CC(=O)NCC(=O)NC[C@H]1C[C@H](Nc2cncc(C#N)n2)C1 1091416704 MWRFATSCVZEPTR-XYPYZODXSA-N 302.338 -0.209 30 20 DBED N#Cc1cnc(NCCNC(=O)Cn2cnnn2)c(Cl)c1 1093505134 MWYNYOVTCITKNN-UHFFFAOYSA-N 306.717 -0.179 30 20 DBED N#Cc1nc(=NCCNC(=O)[C@@]23CCCN(CC2)C3)cc[nH]1 1093792871 MKNHDFJYKGFJOE-HNNXBMFYSA-N 300.366 -0.216 30 20 DBED Cc1nc(NCCNC(=O)CCn2cnnn2)ccc1C#N 1093823556 IZAOEYQWKCQOPX-UHFFFAOYSA-N 300.326 -0.133 30 20 DBED C[C@@]1(C(=O)NCCNc2cnc(C#N)cn2)CCC(=O)NC1 1094059820 YNCRLLFKOKDCGO-CQSZACIVSA-N 302.338 -0.207 30 20 DBED Cn1ncc(CCC(=O)NCCNc2cnc(C#N)cn2)n1 1094121594 NREHENYHQDJTNW-UHFFFAOYSA-N 300.326 -0.362 30 20 DBED COC(=O)[C@@H]1C[C@@H]1C(=O)NCCCN=c1cc[nH]c(C#N)n1 1094327958 DHDOJAKNXKZKRO-VHSXEESVSA-N 303.322 -0.503 30 20 DBED C#CCNC(=O)CC(=O)NCCCNc1cc(OCC)ncn1 1094371831 UTFRLLAIKKZVMN-UHFFFAOYSA-N 319.365 -0.067 30 20 DBED Cn1cnn(CC(=O)N2C[C@H]3C[C@H](NCC#N)C[C@H]2C3)c1=O 1094950036 CQIMIFXSPXUJBD-SDDRHHMPSA-N 304.354 -0.926 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@@H](Nc2nccn3nnnc23)C1 1095066723 HNRGDSFBEPSCAD-WDEREUQCSA-N 315.337 -0.430 30 20 DBED N#Cc1ccc(N2CC[C@@H](NC(=O)CNC(=O)C3CC3)C2)nn1 1096320473 CYXUFMBWQIPMJZ-GFCCVEGCSA-N 314.349 -0.431 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCCS1(=O)=O)N=c1cc[nH]c(C#N)n1 1097882518 DGBRVEHGKWWSLU-VHSXEESVSA-N 323.378 -0.736 30 20 DBED N#CCNCc1cn([C@H]2CCN(C(=O)Cc3nc[nH]n3)C2)nn1 1098763240 VTQAGPUPAKQZAD-NSHDSACASA-N 315.341 -0.975 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)Cc2ccnn2C)[C@H](O)C1 1099794030 GTEPFANVQJHKOR-HUUCEWRRSA-N 322.409 -0.283 30 20 DBED N#CCN1CC[C@@H](NC(=O)CNC(=O)c2ccoc2)[C@H](O)C1 1099847259 JJJZVAXHOVIMDI-VXGBXAGGSA-N 306.322 -0.916 30 20 DBED C=CCCN1CC[C@@H](NC(=O)CN(C)S(C)(=O)=O)[C@H](O)C1 1099861183 OIGKZVHFDAGZLD-VXGBXAGGSA-N 319.427 -0.995 30 20 DBED CCc1nc(C#N)cc(N(C)CCNC(=O)Cn2cnnn2)n1 1099922231 UJVNSZZEBVORBT-UHFFFAOYSA-N 315.341 -0.850 30 20 DBED Cc1c(C(=O)NCCN(C)c2ccc(C#N)nn2)nnn1C 1099974605 KNINTKKVWAERAJ-UHFFFAOYSA-N 300.326 -0.349 30 20 DBED C#CCNC(=O)[C@H](C)NC1CC(CNC(=O)c2ncc[nH]2)C1 1100308141 SXUFHPJGWAJFLF-UNXYVOJBSA-N 303.366 -0.354 30 20 DBED C=C(C)CNC1CC(CNC(=O)Cn2cnc(C(N)=O)n2)C1 1100346574 NGNSYPUPHHSMEM-UHFFFAOYSA-N 306.370 -0.563 30 20 DBED CCN(CCNC(=O)[C@H]1CCNC1=O)c1ccc(C#N)nn1 1100694466 AYDXRDWWVIPXDD-NSHDSACASA-N 302.338 -0.573 30 20 DBED C#CCCNC1CC(CNC(=O)c2cn(C)c(=O)nc2O)C1 1100977998 FOZIDMLZOGAWQQ-UHFFFAOYSA-N 304.350 -0.393 30 20 DBED N#Cc1cncc(N2CC[C@H](CNC(=O)Cn3cncn3)C2)n1 1100982117 SZNTZGWBNVCHAE-LLVKDONJSA-N 312.337 -0.418 30 20 DBED N#Cc1cncc(N(CCNC(=O)[C@H]2COC(=O)N2)C2CC2)n1 1101335823 BMEKJXHACZURQJ-LLVKDONJSA-N 316.321 -0.458 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1CNC(=O)c1cnsn1 1101767981 RVRXMIMHVQRBMG-NXEZZACHSA-N 322.394 -0.524 30 20 DBED COCC(=O)N(C)CC(=O)N(C)CCNc1nccnc1C#N 1102000017 XMVWZYTWIJXIAN-UHFFFAOYSA-N 320.353 -0.677 30 20 DBED COCC#CCN1C[C@@H](C)[C@H](CNC(=O)C[C@H]2CCC(=O)N2)C1 1102462597 YRIPKFAYAWVPOD-RBSFLKMASA-N 321.421 -0.011 30 20 DBED CC(=O)NCC(=O)N[C@H]1CCCCN(c2ccnc(C#N)n2)C1 1102838124 NMVBTNRWGMQXOG-LBPRGKRZSA-N 316.365 -0.041 30 20 DBED CNC(=O)CC(=O)N1CCC[C@@H]1CN=c1cc[nH]c(C#N)n1 1103804583 TZUGRUJPZBOGSL-SNVBAGLBSA-N 302.338 -0.691 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)c1cnn(C)c1N 1103917639 SUKYRHTXSGNTPW-SECBINFHSA-N 314.353 -0.436 30 20 DBED CN(CCN(C)c1cncc(C#N)n1)C(=O)[C@]1(C)CCNC1=O 1105557219 AQRUAUXTKWIMPC-OAHLLOKOSA-N 316.365 -0.231 30 20 DBED CN(CCN(C)c1ccc(C#N)nc1)C(=O)[C@H]1C[C@H]1C(N)=O 1105559087 IRELRTQLXKYYDJ-OLZOCXBDSA-N 301.350 -0.031 30 20 DBED Cc1nc2ncnn2c(NC[C@H](O)CNC(=O)[C@@H](C)C#N)c1C 1105774661 VGMDNPNBQZBYCK-KWQFWETISA-N 317.353 -0.210 30 20 DBED C=CCNC(=O)CNC[C@@H]1CN(C(=O)[C@@H](C)NC(C)=O)C[C@H]1C 1105793302 DAPDBCHAMIRPMN-YRGRVCCFSA-N 324.425 -0.503 30 20 DBED COC1CC(C(=O)NC[C@@H](O)CNc2nccnc2C#N)C1 1105997355 POTDBLPXJXDJJO-YVNMAJEFSA-N 305.338 -0.338 30 20 DBED CCc1n[nH]cc1C(=O)NC[C@H](O)CN=c1cc[nH]cc1C#N 1106163321 PBTWDMMNFFJCJP-LLVKDONJSA-N 314.349 -0.137 30 20 DBED COC(=O)NCC(=O)NC/C=C/CNc1cnc(C#N)cn1 1107058147 WTOFEHAAOPBZQT-NSCUHMNNSA-N 304.310 -0.211 30 20 DBED N#Cc1nccnc1NC/C=C\CNC(=O)[C@H]1CCC(=O)NC1 1107593320 VLVOXVBWGSSFHZ-BVBSBALXSA-N 314.349 -0.041 30 20 DBED C=C(C)CCN1CCO[C@@](C)(CNC(=O)[C@@H]2CNC(=O)N2)C1 1108166421 AVNCRLKGJZQCQR-WFASDCNBSA-N 310.398 -0.159 30 20 DBED COCC#CCN1CCO[C@@](C)(CNC(=O)c2cnn(C)n2)C1 1108279195 ZRQLKDAUHBXOIP-HNNXBMFYSA-N 321.381 -0.714 30 20 DBED CCN1CCO[C@H](C(=O)N[C@@H](C)CNc2ccc(C#N)nn2)C1 1108396239 JSZHNBLHOPDXTQ-AAEUAGOBSA-N 318.381 -0.014 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCOCC 1109046244 HEBKXRKPXFTKPA-RDBSUJKOSA-N 307.394 -0.116 30 20 DBED CN(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1109670251 STJUQTOAORIWTA-AGIUHOORSA-N 307.398 -0.701 30 20 DBED Cc1cc(C#N)nc(N2CC[C@@](C)(NC(=O)CC(N)=O)C2)n1 1110733449 LZEAZNXTOICWTI-CQSZACIVSA-N 302.338 -0.383 30 20 DBED N#Cc1nccc(N2CC[C@@](O)(CNC(=O)[C@H]3CCOC3)C2)n1 1111044193 UADTWCDQAGYAAF-XHDPSFHLSA-N 317.349 -0.558 30 20 DBED CC(=O)NCC(=O)N(C)[C@H]1CN(c2ccc(C#N)cn2)C[C@@H]1O 1111170035 VTMWFPUKNLYRJU-STQMWFEESA-N 317.349 -0.903 30 20 DBED C[C@@H]1CO[C@H](C(=O)N(CCO)CCN=c2cc[nH]c(C#N)n2)C1 1111599438 ZHKGIULYPAKYKV-RYUDHWBXSA-N 319.365 -0.572 30 20 DBED N#Cc1cnc(N2CCOC[C@H]2CNC(=O)C(N)=O)c(Cl)c1 1111716271 XZRDJBXSBPFOJG-SECBINFHSA-N 323.740 -0.587 30 20 DBED CNC(=O)CC(=O)N1C[C@H](C)[C@@H](Nc2ccc(C#N)nn2)C1 1112308563 IZQQDLYIFNYGDK-ONGXEEELSA-N 302.338 -0.257 30 20 DBED COCCC(=O)NC[C@H]1CN(c2nccnc2C#N)C[C@@H]1O 1112690165 XRTZOLRJGGHSHD-JQWIXIFHSA-N 305.338 -0.702 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)c3coc(C)n3)[C@@H]2C1 1114173765 HNEFBQAVRJXMCI-GHMZBOCLSA-N 302.334 -0.608 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)[C@H]3OCCO[C@H]3C)[C@H]2C1 1114420153 CNCHSFSJCIAEIS-ASHKBJFXSA-N 323.393 -0.861 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)Cc3cnoc3)[C@H]2C1 1114725150 ZRWUWPREFFQWNY-JYAVWHMHSA-N 304.350 -0.434 30 20 DBED C=CCO[C@H](C)C(=O)N[C@H]1[C@@H]2CN(Cc3nncn3C)C[C@@H]21 1115331686 BWLQPARRMGYEKK-NMKXLXIOSA-N 305.382 -0.047 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N1CCC[C@@H](CNC(N)=O)C1 1117543634 HBNWUTKCVVZZLJ-QWRGUYRKSA-N 312.370 -0.790 30 20 DBED C=CC[C@H]1NC(=O)N([C@H]2CCCN(S(C)(=O)=O)C2)C1=O 1119697521 QBRQEBZMDIMUMO-VHSXEESVSA-N 301.368 -0.093 30 20 DBED C#CCN(C(=O)C(=O)N[C@H]1CCN(S(C)(=O)=O)C1)C(C)C 1119801567 IVXRSTBNPVOZMD-NSHDSACASA-N 315.395 -0.993 30 20 DBED Cc1nonc1CC(=O)N(C)C[C@H](C)N=c1cc[nH]c(C#N)n1 1120054935 WGFUDCLQPLVXHH-VIFPVBQESA-N 315.337 -0.037 30 20 DBED C[C@H](CN(C)C(=O)Cc1nc[nH]n1)Nc1nccnc1C#N 1120067862 NRQMYZAOTMHTMA-SECBINFHSA-N 300.326 -0.032 30 20 DBED Cc1nnsc1C(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1 1121055353 LRQMSIOMOQJLEW-MRVPVSSYSA-N 319.350 -0.867 30 20 DBED C#CCCCC(=O)NC[C@@H](CO)Nc1nc(C)nc(N(C)C)n1 1121372034 SREVDHRIRSZLBV-LBPRGKRZSA-N 320.397 -0.061 30 20 DBED CN1CC[C@H](CC(=O)NC[C@@H](CO)Nc2ccc(C#N)nn2)C1 1121806449 LUGZYCOATGFKOI-YPMHNXCESA-N 318.381 -0.421 30 20 DBED CN(C[C@@H](O)CNc1cncc(C#N)n1)C(=O)[C@H]1CCOC1 1124139829 CSTQSKCJTMGATM-JQWIXIFHSA-N 305.338 -0.384 30 20 DBED CCCCOCC(=O)N(C)C[C@@H](O)CN=c1cc[nH]c(C#N)n1 1124199911 HYZVMDMRHUTZID-LBPRGKRZSA-N 321.381 -0.182 30 20 DBED CN(C)CCCC(=O)N(C)C[C@@H](O)CNc1ccc(C#N)nn1 1124683297 FZTUOGYYGRMWMM-ZDUSSCGKSA-N 320.397 -0.079 30 20 DBED CC(=O)NCC(=O)N(C)C[C@@H](O)CN(C)c1ccc(C#N)nc1 1124938913 FAPRKJDZAUOKIO-AWEZNQCLSA-N 319.365 -0.655 30 20 DBED C#CCNC(=O)CC(=O)NCCN[C@@H](C)C(=O)NC(CC)CC 1125998062 JIBJGDYDHXTXDG-LBPRGKRZSA-N 324.425 -0.475 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)[C@H]1CC1(F)F 1126764495 KJMOGSFACHISMT-MRVPVSSYSA-N 304.297 -0.641 30 20 DBED C#CCCCC(=O)N[C@H]1CCc2nnc(CNCCO)n2CC1 1127991086 OOCLWFHCVQKWDX-ZDUSSCGKSA-N 319.409 -0.015 30 20 DBED N#CCN1CCn2ncc(CNC(=O)[C@]3(F)CCOC3)c2C1 1128458777 XBONYRCFOZKJMB-AWEZNQCLSA-N 307.329 -0.033 30 20 DBED C#CCC1(C(=O)NCCN[C@@H](C)C(=O)NC(N)=O)CCOCC1 1129121473 WKRDXYRFPRRFHA-NSHDSACASA-N 324.381 -0.904 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H](C)OCC=C)C1 1129482475 XDJYHCXSPLTKRM-MJBXVCDLSA-N 303.366 -0.156 30 20 DBED C#CCCN[C@@H]1CN(C(=O)c2cnn[nH]2)C[C@H]1c1cncn1C 1131020294 QDTOETXXCAUDIY-DGCLKSJQSA-N 313.365 -0.241 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2C[C@@H]3CN(CCOCCO)C[C@]2(C1)O3 1131210703 VDPKEPHHRJHOTQ-HLPPOEQASA-N 323.393 -0.543 30 20 DBED C#CCNC(=O)CN1CCNC(=O)CCN(C(=O)CCC)CC1 1131318883 VYXIWJPJPYGGDT-UHFFFAOYSA-N 322.409 -0.814 30 20 DBED CC(C)N(C)CC(=O)N[C@@H]1CC[C@H](C)N(CC(=O)NCC#N)C1 1132522220 MXLZBLHVSUBVAZ-UONOGXRCSA-N 323.441 -0.065 30 20 DBED C#CCNC(=O)CNC[C@H]1CN(C(=O)CCOC)CC[C@@H]1C 1132579161 YDUUTAWWPIZYDA-KBPBESRZSA-N 309.410 -0.154 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)CCc2cnn[nH]2)C1=O 1134016834 UHHWQAUMLMSWCF-LBPRGKRZSA-N 306.370 -0.770 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1cc(C)nc(C)n1 1135273153 JYTAMHNZBSYRTP-LLVKDONJSA-N 303.366 -0.449 30 20 DBED C[C@H](C[C@@H](C)NC(=O)Cn1ncn2nccc2c1=O)NCC#N 1135614157 NMMMUABNAJUSCP-GHMZBOCLSA-N 317.353 -0.713 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)Cc1ncc[nH]1 1135799221 TYOMEIGRZVXSFQ-NWDGAFQWSA-N 305.382 -0.426 30 20 DBED C#CCOc1ncccc1C(=O)NCCNCC(=O)NCCC 1148302285 JSYUVDUVVLVEDL-UHFFFAOYSA-N 318.377 -0.061 30 20 DBED C=C(C)CN(CC)C(=O)[C@H](C)NCCNC(=O)[C@@H]1CCC(=O)N1 1148433990 ZKOYSLKHGISPQS-STQMWFEESA-N 324.425 -0.216 30 20 DBED C=CCCOCC(=O)NCCNC[C@H](C)CS(C)(=O)=O 1153091512 RDTFCNYHVMFHQB-LBPRGKRZSA-N 306.428 -0.034 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@@H](C)OC[C@H]1CCCO1 1153174865 FOMJBQQCRAPFPK-CHWSQXEVSA-N 311.382 -0.974 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@H]1C[C@H]2CCCCN2C1 1158039273 RWSTZUOQJPCCNY-LSDHHAIUSA-N 320.437 -0.294 30 20 DBED N#CCNC(=O)CNCCCCCCNC(=O)[C@H]1CCOC1 1177988738 RSLUKCCLLOIAPO-ZDUSSCGKSA-N 310.398 -0.071 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)COCC=C)[C@H]1C 1178332586 WIDLNQUUZUVDTB-IHRRRGAJSA-N 307.394 -0.094 30 20 DBED C[C@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)c1nccs1 1179765806 BCFFORVDHJVJLU-UWVGGRQHSA-N 307.379 -0.025 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)c2cccnn2)[C@H]1C 1179765918 HEAYQSPKYLQZMF-AGIUHOORSA-N 315.377 -0.193 30 20 DBED CC#CCN[C@H]1CCN(C(=O)CCS(=O)(=O)N(C)C)[C@H]1C 1180192243 YVBHYBBAENGDCI-STQMWFEESA-N 315.439 -0.130 30 20 DBED CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[C@H]2CN(CC#N)C[C@H]21 1187991565 SKMGJQSHWUMVEV-SDDRHHMPSA-N 314.411 -0.630 30 20 DBED C=CCNC(=O)[C@H](C)N(C)[C@H]1CCN(C(=O)CNC(C)=O)C1 1188692782 CQJNMYXOKMPCAW-AAEUAGOBSA-N 310.398 -0.654 30 20 DBED C=CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3[nH]nnc3C)[C@@H]2C1 1188738089 BPILHGRFLUHHMA-NWDGAFQWSA-N 318.381 -0.438 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@@H](N(C)CC(=O)NC(=O)NC)C1 1190095953 WSNJBPLSECDWBD-VXGBXAGGSA-N 324.381 -0.987 30 20 DBED CN(CC(=O)NCC#N)[C@H]1CCN(C(=O)Cc2cnoc2)C1 1191922184 HUSWYQWZDOTBTH-LBPRGKRZSA-N 305.338 -0.610 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(Cc2cn(CC)nn2)C[C@H]1O 1192539989 LLHNENOSZZKGDN-UMVBOHGHSA-N 323.397 -0.714 30 20 DBED Cc1nc(C)n(CCN2C[C@@H](O)[C@H](NC(=O)C#CC(C)C)C2)n1 1192751606 COKYUNJHAVASAH-HUUCEWRRSA-N 319.409 -0.284 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)C(C)(C)S(C)(=O)=O)C1 1196575699 BBOBLTBWKMAVIK-GHMZBOCLSA-N 304.412 -0.453 30 20 DBED CCCn1cc(C(=O)N[C@@H]2CN(CC#CCOC)C[C@H]2O)nn1 1197289211 PUKCBQWYNRBKHC-TZMCWYRMSA-N 321.381 -0.887 30 20 DBED C=CCC1(C(=O)N[C@@H]2CN(C[C@H](C)O)C[C@H]2O)CCOCC1 1198239179 GWSUFKNCSBPFFO-BFHYXJOUSA-N 312.410 -0.099 30 20 DBED C=CCCCN1C[C@@H](O)[C@H](NC(=O)[C@H](C)CS(C)(=O)=O)C1 1199154375 MLWUGWZYIDZWFU-JHJVBQTASA-N 318.439 -0.205 30 20 DBED COCC#CCNC1CCN(C(=O)C2CN(C(C)=O)C2)CC1 1200224559 DSYBHIJREVYEQX-UHFFFAOYSA-N 307.394 -0.305 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2CN(C)CCO2)C1 1207737632 ISYHCEDFNISDJS-KGLIPLIRSA-N 324.425 -0.800 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)C2CCC(O)CC2)C1 1207925024 VMKLENJESRWQRQ-SLTAFYQDSA-N 321.421 -0.133 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC[C@@H](NCc2nnn(C)n2)C1 1208018485 PNTDDXQAEOHAKV-NWDGAFQWSA-N 306.370 -0.671 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(C[C@@H](C)CC)C[C@H]1OC 1212149790 GMCAKSXEKQDTKO-BFHYXJOUSA-N 309.410 -0.013 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2nncn2C)C[C@H]1OC 1213966464 QIOBDDIOKIMTHO-YNEHKIRRSA-N 323.397 -0.278 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1C 1215540568 MOHJBJCFHAYZQC-RBSFLKMASA-N 320.437 -0.486 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(Cc2ncnn2CC)C[C@@H]1O 1219527668 XVPHPBYWYQHSNA-TYNCELHUSA-N 323.397 -0.714 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)CCN(C)c2ccncc2)C1 1219910928 YGIZYVUYQZJDPS-CABCVRRESA-N 302.378 -0.298 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@](C)(NC(C)=O)C2CC2)C1 1220744806 QEBKTAGSLUMGKX-IJEWVQPXSA-N 307.394 -0.524 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)CCOCCOC)C1 1221149982 ISTZVQWHTDBDME-KGLIPLIRSA-N 316.398 -0.597 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)[C@@H]3CCCCO3)[C@@H]2C1 1221480546 OFBRVRDRXSYFIN-KFWWJZLASA-N 319.405 -0.162 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@H]2CCN(CC(=O)N(C)C)C[C@H]21 1221541114 NIXBOFVOFOXUNM-MGPQQGTHSA-N 307.394 -0.354 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3nocc3C)[C@@H]2C1 1221919142 AIABFUROQNFDPC-CHWSQXEVSA-N 316.361 -0.121 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC[C@H]2CCN(CC(=O)NC)[C@H]2C1 1222603431 OMASLYKFWWZRPS-DVOMOZLQSA-N 309.410 -0.018 30 20 DBED C#CCN1CCC(CNC(=O)[C@H](C)NS(C)(=O)=O)CC1 1224656809 IZSTYDAPHFTQPR-NSHDSACASA-N 301.412 -0.615 30 20 DBED C[C@H]1OCC[C@@H]1C(=O)NCC1CCN(CC(=O)NCC#N)CC1 1224946170 CGXQSTSBXZOCPZ-OCCSQVGLSA-N 322.409 -0.121 30 20 DBED C#CCCN1CCC(CNC(=O)Cn2c(O)nnc2O)CC1 1225271736 YRVURIXMMAZOQI-UHFFFAOYSA-N 307.354 -0.459 30 20 DBED COCCCNC(=O)CN1CCC(NC(=O)[C@@H](C)C#N)CC1 1226625757 OUCFLSVITSTCHD-LBPRGKRZSA-N 310.398 -0.121 30 20 DBED C#CCCN[C@@H]1CCCC[C@H]1NC(=O)Cn1ncn(C)c1=O 1227185147 VXVCJTRYXBMYJY-CHWSQXEVSA-N 305.382 -0.378 30 20 DBED C#CCN1CCC(NC(=O)CCNC(=O)c2cnccn2)CC1 1230302164 COXJPXGLFFEBGM-UHFFFAOYSA-N 315.377 -0.190 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@@H]1CN(C)C(=O)CSCC#N 1230818649 ANXBWQIBGHLPOB-CHWSQXEVSA-N 322.434 -0.086 30 20 DBED CC(=O)NCCNC(=O)CCC(=O)N[C@]1(C#N)CCSC1 1318917178 AWUCGBJPGWYOKV-ZDUSSCGKSA-N 312.395 -0.466 30 20 DBED C=C(C)CN1CCC(NC(=O)C(=O)N2C[C@@H]3C[C@]3(CO)C2)CC1 1322542805 ITLRFFAYFSIJNL-SUMWQHHRSA-N 321.421 -0.016 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)NCCCN2CCCCC2=O)CCO1 1322582718 FOOHCJASAIQMFP-LBPRGKRZSA-N 322.365 -0.744 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)NCc1nnnn1CC1CC1 1324034132 IVBHUICXBALSGF-JTQLQIEISA-N 308.342 -0.984 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 1325104480 QBCLJHZUDSPPMU-GXFFZTMASA-N 318.395 -0.877 30 20 DBED C=C[C@H]1CCCCN1C(=O)C(=O)N1CCO[C@H](C(=O)OC)C1 1325136722 ZLWBVUYCQOQTTA-RYUDHWBXSA-N 310.350 -0.046 30 20 DBED CN(CC#N)C(=O)Cn1c(=O)oc2cc(S(N)(=O)=O)ccc21 1325425394 ZYCWUSINECGZRO-UHFFFAOYSA-N 324.318 -0.776 30 20 DBED CCN1C[C@H](C)N(C(=O)C(=O)N2CCO[C@H](C#N)C2)C[C@@H]1C 1325776143 LMZIFQGOCCKPHW-RWMBFGLXSA-N 308.382 -0.322 30 20 DBED C=CC[C@H](NC(=O)[C@H](C)NS(=O)(=O)CC)C(=O)OCC 1328350776 UACCMPSCRPPFSS-UWVGGRQHSA-N 306.384 -0.062 30 20 DBED C#CCNC(=O)C1CCN(C(=O)C(=O)N[C@@H](C)C[C@@H](C)N)CC1 1329470704 SGOFEFRHYAZPCC-NEPJUHHUSA-N 322.409 -0.784 30 20 DBED N#CCCN1CCN(C(=O)C(=O)N2CC[C@@](F)(C#N)C2)CC1 1330475469 CDHXFQOAJJPOSS-CQSZACIVSA-N 307.329 -0.492 30 20 DBED CN1CCC[C@@H](NC(=O)C(=O)N2CCC[C@@H](CC#N)C2)C1=O 1331046913 FTFZUJCONMKMDC-NWDGAFQWSA-N 306.366 -0.124 30 20 DBED C=CCn1cc(CNC(=O)C(=O)NCC2(N(C)C)CCC2)nn1 1332041485 AKEWQDHAYIIWAY-UHFFFAOYSA-N 320.397 -0.319 30 20 DBED C#CCN1CCC[C@@H](NC(=O)NCC(=O)NCC(F)F)C1 1333488574 HTRHEBMZJCBFFY-SNVBAGLBSA-N 302.325 -0.236 30 20 DBED C=CCC1(O)CCN(C(=O)C(=O)N2CCC3(C2)OCCO3)CC1 1335505835 LZBWSCYIURBMCS-UHFFFAOYSA-N 324.377 -0.109 30 20 DBED C=C(C)Cn1c(CCO)nnc1N1CCC(CO)(CO)CC1 1342663411 XQVQCYAZYQQERW-UHFFFAOYSA-N 310.398 -0.040 30 20 DBED C#CCSCCNC(=O)C(=O)N1C[C@@H]2CN(C(C)=O)C[C@@H]2C1 1350409130 ISBKTKXZUZTHSW-BETUJISGSA-N 323.418 -0.594 30 20 DBED N#Cc1cn(CCC(=O)NC[C@@H]2CCCOC2)c(=O)nc1O 1362784676 PNUBWKXMKUWWAR-JTQLQIEISA-N 306.322 -0.247 30 20 DBED N#Cc1cn(CCC(=O)N[C@@H]2CN3CCC2CC3)c(=O)nc1O 1362846907 BXEIHFVJFGIICD-GFCCVEGCSA-N 317.349 -0.579 30 20 DBED Cc1cc(CCC(=O)NCCn2cc(C#N)c(O)nc2=O)no1 1363006186 UJXCFYIAUGGAPU-UHFFFAOYSA-N 317.305 -0.134 30 20 DBED C[C@H]1CN(Cc2cc(O)n3ncc(C#N)c3n2)C[C@@H](CO)O1 1365295322 LERJXDNULNFNCY-CABZTGNLSA-N 303.322 -0.112 30 20 DBED N#Cc1ccc(NC[C@@H]2CCN(C(=O)Cn3cncn3)C2)nn1 1365439039 CWODDDPSQKFMOT-NSHDSACASA-N 312.337 -0.100 30 20 DBED C[C@H](CN(C)C(=O)Cc1nc[nH]n1)NC(=O)c1ccc(C#N)[nH]1 1395678457 NFUHWWXYPAGDLM-SECBINFHSA-N 315.337 -0.176 30 20 DBED C[C@H](C#N)C(=O)N1CCN(CCNC(=O)C[C@H]2CCCO2)CC1 1407438717 JZZDQCRABVYUGH-ZIAGYGMSSA-N 322.409 -0.024 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@@H]1C[C@@H](C)OC1=O 1413355715 NDBSQCWANYHQFW-NXEZZACHSA-N 305.356 -0.613 30 20 DBED CCNC(=O)N1CC[C@@H](Nc2[nH]c(=O)n(C)c(=O)c2C#N)C1 1421080037 KSZJYBGUWQXMIQ-MRVPVSSYSA-N 306.326 -0.839 30 20 DBED C=C(Cl)CN1CC(O)(CNC(=O)[C@@H]2CCCC(=O)N2C)C1 1421494323 KFJGIDWYQUISIH-NSHDSACASA-N 315.801 -0.087 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CCN(C(=O)c2ccc(C(N)=O)cn2)C1 1429528808 DJSMGMDMKWZCFO-MWLCHTKSSA-N 315.333 -0.329 30 20 DBED CCN(CCNC(=O)c1cc(C#N)c[nH]1)C(=O)c1cnn(C)n1 1431610591 RTLIPVBJSFZULS-UHFFFAOYSA-N 315.337 -0.093 30 20 DBED Cc1cc(CNC(=O)Cn2cc(C#N)c(O)nc2=O)n(C)n1 1433968028 MOTQJKWPICNSFI-UHFFFAOYSA-N 302.294 -0.821 30 20 DBED N#Cc1cn(CC(=O)Nc2cccc(CCO)c2)c(=O)nc1O 1434073212 SNSNTKYGZCAZIE-UHFFFAOYSA-N 314.301 -0.006 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](NC(=O)Cn1ncnn1)C1CCCC1 1434133711 NSSSPWAXQHHZNP-JQWIXIFHSA-N 319.369 -0.376 30 20 DBED CNC(=O)NC(=O)CN(C)CC1CCN(C(=O)[C@@H](C)C#N)CC1 1437991533 UKYIIGWNOCZJCH-NSHDSACASA-N 323.397 -0.228 30 20 DBED C=C(Cl)CNC[C@H](O)CNC(=O)c1coc(C(N)=O)c1 1439024003 YXRYQBYREPTTQE-VIFPVBQESA-N 301.730 -0.189 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C[C@H]2CCNC(=O)CC2)C1 1440036112 BSIVGPNNPXUHDH-NWDGAFQWSA-N 308.382 -0.775 30 20 DBED C[C@@]1(C#N)CCCN(C(=O)Cn2cc(C#N)c(O)nc2=O)C1 1466329557 SSHYTLZLJNKNQU-AWEZNQCLSA-N 301.306 -0.027 30 20 DBED CCN1CC[C@H](N2CCN(CCNC(=O)[C@H](C)C#N)CC2)C1=O 1479928433 MSBFMVGOEAVAFN-KGLIPLIRSA-N 321.425 -0.499 30 20 DBED C[C@@H](C#N)C(=O)NCC1CN(C(=O)COC[C@H]2CCCO2)C1 1498677500 KHVVKKPAZBOAAG-WCQYABFASA-N 309.366 -0.084 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N[C@H]2C[C@@H](N)C23CCC3)CCO1 1580042516 UXIARUGPVBQRMW-MXWKQRLJSA-N 300.384 -0.685 30 20 DBED N#C[C@H]1CNCC12CC(C(=O)N1CCN3C(=O)NC[C@H]3C1)C2 1580042681 ZJBLADPBEAZPKA-WVIDZAQPSA-N 303.366 -0.638 30 20 DBED Cc1nc(-c2nn[nH]n2)c(C#N)n1CC(=O)N=S(C)(C)=O 1581410663 QIJQHJXZNFPZGD-UHFFFAOYSA-N 308.327 -0.503 30 20 DBED N#Cc1nc(N2CCc3c(O)ncnc3C2)cnc1-c1nn[nH]n1 1581879833 ZMBVYQKFWJBCSE-UHFFFAOYSA-N 322.292 -0.413 30 20 DBED C=C(CO)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[nH]n1 1588444165 OGPHIDAAPCMJSS-UHFFFAOYSA-N 306.330 -0.889 30 20 DBED C#CCCS(=O)(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)O 1588457507 BLUCMUUKQCORTL-JTQLQIEISA-N 304.368 -0.455 30 20 DBED N#Cc1ccc(C[C@H](C#N)C(=O)OCC(=O)NCC(=O)O)cc1 1601098993 DHJDANYUTXGPGW-GFCCVEGCSA-N 315.285 -0.015 30 20 DBED CC1(C)NC(=O)N(CCCNC(=O)[C@](C)(C#N)CC(=O)O)C1=O 1602780381 FQHUHVMIMODUQV-AWEZNQCLSA-N 324.337 -0.172 30 20 DBED C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](C(=O)O)C1 1602938257 ZZDPLAVVWAJLSF-UWVGGRQHSA-N 321.337 -0.295 30 20 DBED N#Cc1cccc(-c2nn[nH]n2)c1N1CCS(=O)(=O)CCO1 1606379627 GRARGJFGGIDAOL-UHFFFAOYSA-N 320.334 -0.095 30 20 DBED COc1cc(C(=O)N2CC(=O)N(C)C[C@@H]2C(=O)O)ccc1C#N 1607067923 DCFWJDZXXRGOHA-LLVKDONJSA-N 317.301 -0.066 30 20 DBED N#CCN1CC(OC2CCN(C(=O)[C@H]3C[C@H]3C(=O)O)CC2)C1 1608188645 ZOJTYGYUDHGIRT-QWHCGFSZSA-N 307.350 -0.078 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@H](NCC(=O)N2CCOCC2)C1 1731646228 ZNXWYRCQLCGZNA-KBPBESRZSA-N 323.393 -0.926 30 20 DBED C#CCNC(=O)CNC[C@H]1CCCN(C(=O)CN(C)CCC)C1 1752811337 LIPPOZCPFFDACA-OAHLLOKOSA-N 322.453 -0.094 30 20 DBED C[C@H](CNC(=O)c1c[nH]nc1C1CC1)NCC(=O)NCC#N 1752909207 IBNMYKYIAMQJQV-SECBINFHSA-N 304.354 -0.365 30 20 DBED Cc1cc(C(=O)N2CCC[C@H](N(C)CC(=O)NCC#N)C2)n[nH]1 1752988839 SOTGKXYBNQTHDD-LBPRGKRZSA-N 318.381 -0.106 30 20 DBED C=CCNC(=O)CN1CC(NC(=O)c2nc[nH]c3nccc2-3)C1 1753381387 LJBCBFXXXDRMEK-UHFFFAOYSA-N 314.349 -0.374 30 20 DBED C=CCNC[C@H]1[C@H](C)CCCN1C(=O)CN1CCNC(=O)C1 1753809831 RIPGBWJSJOMYHJ-KGLIPLIRSA-N 308.426 -0.179 30 20 DBED CC#CCN[C@@H](CNC(=O)CCc1nnc(O)nc1O)C(C)C 1753833337 BQYFDQMEUWZCHO-LBPRGKRZSA-N 321.381 -0.031 30 20 DBED C#CCCNC/C=C\CNC(=O)[C@H]1CCc2nnnn2CC1 1754183781 PNEINROUHDDTPO-ZFDPJTLLSA-N 302.382 -0.089 30 20 DBED C#CCN1CCC(C(=O)N[C@H](C)CNCc2cn(C)nn2)CC1 1754254412 AIJLIOZYYQHZOT-CYBMUJFWSA-N 318.425 -0.245 30 20 DBED C#Cc1ccc(C(=O)NCC2(NCC(=O)NC(N)=O)CC2)cc1 1754521599 LRBCFLSPBZVPCL-UHFFFAOYSA-N 314.345 -0.285 30 20 DBED C#CCN(C(=O)[C@@H]1CCNC(=O)C1)C1CCN(CCCO)CC1 1754636831 NSTLHBRMTWQXMV-CQSZACIVSA-N 321.421 -0.179 30 20 DBED COCC#CCN1CC[C@@](O)(CNC(=O)C2(CN(C)C)CC2)C1 1754754566 NAGVLNKHRUAMMD-QGZVFWFLSA-N 323.437 -0.469 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN([C@@H]2CCN(CC)C2=O)C1 1754772022 UPVIGLYWVKDWSI-GFCCVEGCSA-N 309.410 -0.018 30 20 DBED CC#CCN[C@@H](C)[C@@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 1754799116 AHKDZUQQGQLIOU-QWHCGFSZSA-N 305.382 -0.568 30 20 DBED C#CCNC(=O)CNC[C@H]1CN(C(=O)c2ccncn2)C[C@@H]1C 1754824856 UTHSXOMTYRLSPA-STQMWFEESA-N 315.377 -0.476 30 20 DBED C#Cc1ccc(C(=O)N2CCO[C@@H](CN[C@@H](C)C(N)=O)C2)cc1 1755006787 GQSCHEZCPVBPNE-WFASDCNBSA-N 315.373 -0.028 30 20 DBED Cc1ccn(C[C@H](C)C(=O)NC2(CCO)CN(CC#N)C2)n1 1755333729 OYSBLEQJUJGTEL-LBPRGKRZSA-N 305.382 -0.096 30 20 DBED C#CCCN[C@@H](C)[C@@H]1CN(C(=O)c2ccc(=O)n(C)n2)CCO1 1755447415 FTXLMWOYZAMOSF-JSGCOSHPSA-N 318.377 -0.377 30 20 DBED N#CCNC(=O)CNC[C@@H]1CC[C@@H](NC(=O)Cn2cccn2)C1 1755727985 BLHNYRAJTSVCOJ-CHWSQXEVSA-N 318.381 -0.603 30 20 DBED C=CCO[C@H](C)C(=O)N(C)[C@@H](C)CNC(=O)CNC(=O)OC 1756004737 CULLZBAOVAXKSV-WDEREUQCSA-N 315.370 -0.103 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C[C@H](C)NC(=O)c1cc(=O)n(C)o1 1756453280 LJPOGPCNMJRKSX-QWRGUYRKSA-N 323.349 -0.407 30 20 DBED C#CCNC(=O)CNS(=O)(=O)c1cccc(CC(=O)O)c1 1776135025 DJYMXPYFLPMSBH-UHFFFAOYSA-N 310.331 -0.659 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N1CCC[C@@](O)(C(=O)O)C1 1776398571 UJCHYYANZFQKKG-KOLCDFICSA-N 305.356 -0.623 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)Cc1cc[nH]n1)CCO2 1783054051 BVLVQSNPSHDGNS-OAHLLOKOSA-N 302.334 -0.585 30 20 DBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)OC)CCO2 1840211481 DLUUYDNRNBBQKZ-WFASDCNBSA-N 310.350 -0.889 30 20 DBED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)c1cn[nH]c1)C2 1846195551 CSBXJXPJPIMJHK-UHFFFAOYSA-N 302.290 -0.685 30 20 DBED C#CCNC(=O)COC(=O)CN1C(=O)NC(CC)(CC)C1=O 7023515 JDZJHXFDVXLXQR-UHFFFAOYSA-N 309.322 -0.610 30 20 DBED C=CCNC(=O)NC(=O)CN1CCN(C(=O)[C@@H]2CCCO2)CC1 69218781 ACGIBAKNSQRGDJ-LBPRGKRZSA-N 324.381 -0.679 30 20 DBED Cn1cc(S(=O)(=O)N2CCC[C@@H](C#N)C2)c(=O)n(C)c1=O 79827618 HSNYDXXBDGWQLT-VIFPVBQESA-N 312.351 -0.992 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@H]2C)c1=O 173529656 MYXHJYCXOVETRC-GFCCVEGCSA-N 306.366 -0.015 30 20 DBED N#Cc1ccc(F)c(CN2CCN3C(=O)C(=O)NC[C@H]3C2)c1 177112374 ZLDVISGCWDDPAN-LBPRGKRZSA-N 302.309 -0.160 30 20 DBED CS(=O)(=O)NCCCNS(=O)(=O)c1ccc(C#N)cc1 220660582 CVONVQHFRUDNGL-UHFFFAOYSA-N 317.392 -0.224 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@H](C)C[C@H]2CN)C1=O 261848785 QGCOZLUPBSBSJW-QWRGUYRKSA-N 322.365 -0.451 30 20 DBED C#CCNC(=O)c1ccc(N2CCN(C(=O)COC)CC2)nc1 264873892 PIIFULHLJRMYSU-UHFFFAOYSA-N 316.361 -0.260 30 20 DBED C=CCCOCCNC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 270186854 HGTYBGQOWSQORW-OXHZDVMGSA-N 322.361 -0.142 30 20 DBED C=CCNC(=O)C/N=C(\N)NC1CCN(C(=O)OCC)CC1 271916594 CLEYXBWMJSKGNX-UHFFFAOYSA-N 311.386 -0.186 30 20 DBED C=CCCN(C)CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1 276462589 QRBSRVQUHMRUDY-SNVBAGLBSA-N 303.384 -0.493 30 20 DBED C#CCCCC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 277848175 NFZSSAIJJFNIEP-UHFFFAOYSA-N 321.377 -0.681 30 20 DBED C=CCn1c(S(=O)(=O)[C@H](C)C(=O)N(CC)CC)n[nH]c1=O 278507188 DOFSMOZYKJGETL-SECBINFHSA-N 316.383 -0.212 30 20 DBED N#Cc1c(F)cccc1S(=O)(=O)N1C[C@@H](O)[C@@H](CO)C1 317653435 LXRSCTWUKQMWKV-LDYMZIIASA-N 300.311 -0.329 30 20 DBED CCS(=O)(=O)N(C)CCC/N=C(/O)N1CC[C@@H](CO)C1 330819184 OAIPKHAOZFHJHD-LLVKDONJSA-N 307.416 -0.114 30 20 DBED Cc1cc(NC(=O)CSCC(=O)N2CCO[C@@H](C#N)C2)no1 332547387 CUUGRHNUBBDRJV-JTQLQIEISA-N 324.362 0.406 30 20 DBED COc1cc(CNS(=O)(=O)N2CCO[C@@H](C#N)C2)ccn1 336909382 HLVMCSKOALJOQS-NSHDSACASA-N 312.351 -0.351 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H]1CCCN(C)C1=O 337076845 SMUXJSAWNQZLGX-MNOVXSKESA-N 302.400 -0.077 30 20 DBED N#Cc1ccc(NC(=O)C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)nc1 340096762 BPHWGSNMKYZUOE-SNVBAGLBSA-N 313.317 -0.229 30 20 DBED C=CC[C@H](CO)CNC(=O)C(=O)Nc1c(C(=O)OC)cnn1C 340165861 MPVVLGCTKXESNE-VIFPVBQESA-N 324.337 -0.554 30 20 DBED C=CCn1c(O)nnc1S(=O)(=O)CC(=O)N(C)C(C)C 341338390 YFIRWXHKINWNMT-UHFFFAOYSA-N 302.356 -0.190 30 20 DBED C=CC[C@H](CO)CNC(=O)NC[C@H]1CS(=O)(=O)CCO1 341851071 HMWAAKXDRXIINC-QWRGUYRKSA-N 306.384 -0.716 30 20 DBED N#CCCCCNC(=O)C(=O)N1CC[C@@H](NC(=O)NC2CC2)C1 343152631 WQIDMKXOEFCRPP-GFCCVEGCSA-N 321.381 -0.141 30 20 DBED COC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(C#N)o1 344515139 MWABEAPYJWYZEP-APPZFPTMSA-N 300.292 -0.552 30 20 DBED CC(C)NS(=O)(=O)NCCNC(=O)c1cnccc1C#N 345357529 WULQQAGSJVZJQH-UHFFFAOYSA-N 311.367 -0.485 30 20 DBED CC(C)(CS(C)(=O)=O)NC(=O)CNc1ccc(C#N)cn1 354235230 ADSPHHCEYXCONV-UHFFFAOYSA-N 310.379 0.305 30 20 DBED C=CCN1CC[C@@H](N(CCNS(C)(=O)=O)C2CC2)C1=O 361391628 PYDYDWLRRYZWON-GFCCVEGCSA-N 301.412 -0.213 30 20 DBED CS(=O)(=O)N1CCC[C@@H](NC(=O)C2(C#N)CCOCC2)C1 400244982 YTUJDJYUUFSACM-LLVKDONJSA-N 315.395 -0.153 30 20 DBED C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)[C@H](N)CCCC#N)CC1 424134074 KHQCQAAKCWJCDE-GXTWGEPZSA-N 321.425 -0.181 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N[C@H]2CCCN[C@H]2C)nn1 424543334 JJELWKOWFBKCAF-JQWIXIFHSA-N 306.370 -0.663 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)NCCN1C[C@@H]2CC[C@H](C1)O2 451884813 DSLNDPODLMZOSA-RWMBFGLXSA-N 316.427 -0.225 30 20 DBED C#CCN1CCN(C(=O)CN2CCC[C@H]2C(=O)NC2CC2)CC1 490840212 MSSSXASCRRNYGJ-HNNXBMFYSA-N 318.421 -0.493 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2n[nH]c3c2CCC3)CC1 491770026 NJQWXPOATDJLMB-UHFFFAOYSA-N 315.377 -0.594 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C)c2cnn(C)c2)C1=O 525049665 HFQNHHJIDVPHGS-SECBINFHSA-N 319.321 -0.426 30 20 DBED Cn1nc2c(cc1=O)CN(CC(=O)NC1(C#N)CCC1)CC2 526136156 SEROZRXEVSDAQC-UHFFFAOYSA-N 301.350 -0.299 30 20 DBED N#C[C@@]1(NC(=O)CNC(=O)c2ccc3c(c2)OCO3)CCOC1 547813145 GUFFCCDEJUNPTH-HNNXBMFYSA-N 317.301 -0.056 30 20 DBED C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1O 563408151 JQTOVNPKFMGVHA-ZWKOPEQDSA-N 324.358 -0.400 30 20 DBED CC[C@@H](C)[C@H](NC(=O)Cn1c(=O)[nH]cc(C#N)c1=O)C(=O)OC 583083790 GUCSVQNFOJAMGQ-KCJUWKMLSA-N 322.321 -0.888 30 20 DBED C=C[C@H](O)C(=O)N1CCC(C(=O)OCC)([S@](C)=O)CC1 597711474 DSYQDJTXJTXKSQ-FVINQWEUSA-N 303.380 -0.164 30 20 DBED CC(C)(C)OC(=O)[C@H]1COCCN1C(=O)Cn1cnc(C#N)n1 597846415 OHCYWQJKJAMJRO-SNVBAGLBSA-N 321.337 -0.281 30 20 DBED C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCO[C@H](C(=O)O)C1 644202703 XCYXBWTWDCFTLW-DCAQKATOSA-N 312.322 -0.994 30 20 DBED CC#CC[C@@H](CO)NC(=O)Cn1c(=O)nc(O)c2ccccc21 649239125 WUCLWXWXBNGOLB-NSHDSACASA-N 315.329 -0.007 30 20 DBED C=CCCNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 658386276 IASUVDRAISXAFA-UHFFFAOYSA-N 317.349 -0.351 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2cnn(C)c2CC)CC1 728531240 DWQWDXCJAJOXPT-UHFFFAOYSA-N 317.393 -0.510 30 20 DBED CNC(=O)CNC(=S)NN=Cc1cnc(N(C)C)s1 755708232 BFXIYDZMQAOJLX-UHFFFAOYSA-N 300.413 -0.247 30 20 DBED COC(=O)[C@@H]1CCN(CC(=O)NCCC#N)[C@@H](C(=O)OC)C1 780351298 PXCYJBDISGGQRU-GHMZBOCLSA-N 311.338 -0.557 30 20 DBED C=CCS(=O)(=O)CCNC(=O)Cn1nnnc1C(C)C 783547133 GSDGXDPCQZHNLJ-UHFFFAOYSA-N 301.372 -0.487 30 20 DBED C[C@H](NC(=O)C(=O)NCCS(C)(=O)=O)c1cccc(C#N)c1 788402617 SCABSDSLLWSDGO-JTQLQIEISA-N 323.374 -0.104 30 20 DBED COC(=O)C[C@H]1CCC(=NNC(=S)NCC(N)=O)[C@H]1C 794510632 VWARICDXIMYQAK-JGVFFNPUSA-N 300.384 -0.099 30 20 DBED C#CCC[C@@H](O)CNC(=O)NC1CC(NS(C)(=O)=O)C1 802421906 BTMWANHXKCEPKU-VQXHTEKXSA-N 303.384 -0.860 30 20 DBED COc1cc(C(=O)NS(=O)(=O)c2cncc(C#N)c2)nn1C 813979792 DKEVDDVGXRTDIX-UHFFFAOYSA-N 321.318 -0.186 30 20 DBED N#CC1CN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)C1 817558434 HPAGAJRDHWEENB-UHFFFAOYSA-N 305.315 -0.187 30 20 DBED C#CCN(C)CCCNC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 818595661 HUIFAQFKYWHVGO-LBPRGKRZSA-N 303.366 -0.166 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)CCCOCC)CC1 831556439 NBOVXMSOJWTEDY-UHFFFAOYSA-N 317.411 -0.585 30 20 DBED CC#CC[C@@H](CO)NC(=O)C1=C(C)N(C)c2nnnn2[C@H]1C 848241798 XIESWGRHLPAWNQ-QWRGUYRKSA-N 304.354 -0.152 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N(C)C[C@H]1COCCO1 850709584 ZGIURZPDZREZSK-ZDUSSCGKSA-N 312.366 -0.642 30 20 DBED C#CC[C@@H](CCOC)NC(=O)NCCNS(=O)(=O)N(C)C 875636874 BPVGJISGFSBRFB-NSHDSACASA-N 320.415 -0.890 30 20 DBED N#Cc1ccc2c(c1)CCN[C@H]2C(=O)N1CCN(CCO)CC1 876847877 NSLOZSFWWFCTTD-MRXNPFEDSA-N 314.389 -0.118 30 20 DBED C#Cc1cncc(C(=O)N(C)[C@H]2CCN(C(=O)CC(N)=O)C2)c1 936954843 IWDLROSYORFKGI-ZDUSSCGKSA-N 314.345 -0.389 30 20 DBED C=C(C)CN[C@@H]1CN(C(=O)CN2C(=O)CN(C)C2=O)C[C@H]1C 939696020 CVSPTEDRUGDAKP-VXGBXAGGSA-N 308.382 -0.107 30 20 DBED C[C@H](C#N)C(=O)N1CCCN(C(=O)c2cc(=O)n(C)cn2)CC1 941469177 AYXMLZFGEIEQTM-LLVKDONJSA-N 317.349 -0.386 30 20 DBED CO[C@H](C)C(=O)N1CCO[C@@H](CNC(=O)c2ccc(C#N)[nH]2)C1 944558759 ULPNUWBEOCOVAH-PWSUYJOCSA-N 320.349 -0.122 30 20 DBED C=CC(C)(C)C(=O)N1CCN(CCN2C(=O)CNC2=O)CC1 949667385 TWXVKRJHJRTHDP-UHFFFAOYSA-N 308.382 -0.105 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]1CNC(=O)c1cc2n(n1)CCO2 950596122 RGKQLXKKEDLVMB-NXEZZACHSA-N 303.322 -0.234 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1ncnn1 952543349 ZDHTYUMOTGAIMJ-TUAOUCFPSA-N 317.353 -0.575 30 20 DBED N#CCN1C[C@H]2C(NC(=O)[C@@H]3CN4CC5CC4(CO3)C5)[C@@H]2C1 961278883 GUTQJCLRYOCTAM-BIWMVHNJSA-N 302.378 -0.580 30 20 DBED N#CCN1C[C@H]2C(NC(=O)[C@@H]3OCC[C@@H]3Cn3cccn3)[C@@H]2C1 962020619 YVRUBQNTAVQJPJ-RGCMKSIDSA-N 315.377 -0.142 30 20 DBED N#CCN1C[C@@H]2C(NC(=O)c3cccc(-n4cncn4)n3)[C@H]2C1 962162017 GBRRINWGYMDXQJ-QWRGUYRKSA-N 309.333 -0.154 30 20 DBED C=CCCN1C[C@H]2C(NC(=O)[C@H]3COCCN3C(C)=O)[C@@H]2C1 962622802 ZTSGBMNTHQKVQL-MGPQQGTHSA-N 307.394 -0.144 30 20 DBED C=C(Cl)CN1C[C@H]2C(NC(=O)c3cn(CC(N)=O)nn3)[C@@H]2C1 962783618 WMIRFXANWQKGBV-RKDXNWHRSA-N 324.772 -0.824 30 20 DBED CCN(C(=O)[C@@H]1CN(C)C(=O)N1)C1CN(C(=O)[C@@H](C)C#N)C1 968214104 QDZCTZZPWICQDH-ONGXEEELSA-N 307.354 -0.771 30 20 DBED CCN(C(=O)[C@@H]1CNC(=O)N1)C1CN(C(=O)C#CC2CC2)C1 968302903 PGELMUGGNFAGEC-LBPRGKRZSA-N 304.350 -0.860 30 20 DBED C=CCN1CC[C@H](C)[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 968374000 KGWZCKRUDAUKKV-AAEUAGOBSA-N 320.393 -0.290 30 20 DBED C=C(Br)CN[C@@H]1CCN(C(=O)c2nnn(C)n2)C1 969624455 ZDYPGTQLWNIUOT-MRVPVSSYSA-N 315.175 -0.077 30 20 DBED CN(Cc1nnn(C)n1)[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 971366059 IRZBIXBLUQYIOB-LLVKDONJSA-N 314.353 -0.244 30 20 DBED C#CCN(C)[C@@H]1CCN(C(=O)[C@@H](Cn2cccn2)N(C)C)C1 971676170 CKNZCFAZHYPYEO-HUUCEWRRSA-N 303.410 -0.021 30 20 DBED CN(CC#N)[C@H]1CCN(C(=O)[C@@H]2CN3CC4CC3(CO2)C4)C1 971969527 OOXRANWDEUDORE-WJEHIRDRSA-N 304.394 -0.094 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)c3cn(C)c(=O)n3C)C2)C1 972692856 BXLVQBMPOGGTCU-INIZCTEOSA-N 318.377 -0.726 30 20 DBED N#Cc1cc(C(=O)N[C@H]2C[C@@H](NC(=O)Cn3nccn3)C2)c[nH]1 974049555 TXXQNWYTMHCYBE-PHIMTYICSA-N 313.321 -0.445 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)c3nccnc3N)C[C@H]21 974975090 PADQZHPMJAGFRJ-HBNTYKKESA-N 314.349 -0.109 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H](CNC(=O)c2ncn(C)n2)C1 975266413 RPGNWKQZMYDJAN-GHMZBOCLSA-N 304.354 -0.057 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2[C@@H]3CN(C(=O)c4cnn[nH]4)C[C@@H]32)nc1 976917409 ZGVSPRSHWYWAFX-YABSGUDNSA-N 322.328 -0.319 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)[C@]3(C)CCNC3=O)[C@H]2C1 977191924 VZPXWSMIMPOYRG-NDXHXBTESA-N 304.350 -0.755 30 20 DBED C=CCCN1C[C@H](NC(=O)CN2CC(=O)NC2=O)C(C)(C)C1 977360879 GLAYUCAXRSZQTP-NSHDSACASA-N 308.382 -0.059 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H]2[C@@H]3CN([C@@H]4CCNC4=O)C[C@H]23)c1 977973483 HCLJAWOFRMXPTO-NRWUCQMLSA-N 313.361 -0.318 30 20 DBED N#Cc1c[nH]c(C(=O)NCC2[C@@H]3CN([C@H]4CCNC4=O)C[C@@H]23)c1 977973484 HCLJAWOFRMXPTO-OBJOEFQTSA-N 313.361 -0.318 30 20 DBED CC#CCN1C[C@H]2[C@H](CNC(=O)c3cnc(O)n(C)c3=O)[C@H]2C1 978591478 CNIQHYVIYHSQPW-UOJUARBOSA-N 316.361 -0.583 30 20 DBED C#CCN1CCCC2(C1)CN(C(=O)C[C@@H]1NC(=O)NC1=O)C2 981818984 IEXFIDNHNWHJSB-NSHDSACASA-N 304.350 -0.858 30 20 DBED C#CCN1CCCC2(C1)CN(C(=O)[C@@H]1CCS(=O)(=O)N1)C2 982153494 ACBZXGWMWHBGNS-LBPRGKRZSA-N 311.407 -0.764 30 20 DBED CN1CCO[C@@H](C(=O)NC[C@H]2CCN(C(=O)C#CC3CC3)C2)C1 982738792 AIRQJCCCWPCUFV-HUUCEWRRSA-N 319.405 -0.305 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC(NC(=O)c2cnn(C)c2)C1 990200043 RSDYUXFKEOPADN-AWEZNQCLSA-N 315.377 -0.542 30 20 DBED CN1CCC[C@@H]1C(=O)N1CC(NC(=O)c2ccc(C#N)[nH]2)C1 990869283 WIPSQPRCKMJRGW-CYBMUJFWSA-N 301.350 -0.079 30 20 DBED CCn1nncc1C(=O)NC1CN(C(=O)c2ccc(C#N)[nH]2)C1 991185602 PKWVGBLKGVUYGT-UHFFFAOYSA-N 313.321 -0.248 30 20 DBED C#CCN[C@@H]1CCCN(C(=O)c2ccc(-n3cnnn3)cn2)C1 999799133 QPIFFNMXHANYIC-GFCCVEGCSA-N 311.349 -0.115 30 20 DBED C=CCN1CC[C@@H](n2cc(CNC(=O)[C@@H]3COCCO3)nn2)C1 999957230 UOIFPLJRYYTUBO-KGLIPLIRSA-N 321.381 -0.258 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)CCc2cnn[nH]2)C1 1000022196 LHOONSPWUHANHU-OLZOCXBDSA-N 319.365 -0.345 30 20 DBED C=CCn1cc(C(=O)NCC2=CCN([C@@H](C)C(N)=O)CC2)nn1 1001240290 BWAOCZZZVNFNHD-NSHDSACASA-N 318.381 -0.300 30 20 DBED C[C@H](C#N)C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1nnn(C)n1 1005172141 BJMHYFCOHMFEPN-KYXWUPHJSA-N 303.326 -0.769 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CC(N)=O)CC1(C)C 1008616739 RJWLHCDOCXTUAS-GRYCIOLGSA-N 323.393 -0.194 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CCN([C@@H]3CCC(=O)NC3=O)C2)[nH]1 1010643349 MIJHFPAWPIMJIN-ZYHUDNBSSA-N 315.333 -0.504 30 20 DBED N#Cc1ccc(CN2CC[C@@H](NC(=O)[C@@H]3CNC(=O)N3)C2)s1 1015635706 VWKJKHYCOXGSEY-SKDRFNHKSA-N 319.390 -0.008 30 20 DBED C#CCN1CCC(C(=O)N[C@H]2CCN(CC(=O)NC)C2)CC1 1016336667 MYKQNUGZQMCAHT-AWEZNQCLSA-N 306.410 -0.732 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCN(C(=O)[C@@H]3COCCN3C)C2)C1 1019363088 MAPDOUHWNSLERD-STQMWFEESA-N 320.393 -0.462 30 20 DBED C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 1020647447 UAINKOWUBFKYIO-CIUDSAMLSA-N 300.746 -0.426 30 20 DBED CC(=O)N1CC(C(=O)N2C[C@@H]3CCN(C(=O)[C@@H](C)C#N)[C@@H]3C2)C1 1022564673 NNAIJYITLGGNGL-VHRBIJSZSA-N 318.377 -0.316 30 20 DBED N#CCN1CCC[C@@H]1CNC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 1027878907 KALCJBDVWZCTDS-VXGBXAGGSA-N 316.365 -0.133 30 20 DBED CC#CCN1CC[C@H](CNC(=O)[C@H]2CC(=O)N(CCOC)C2)C1 1028576532 BXSMNRGJOULZAP-CABCVRRESA-N 321.421 -0.057 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2CCN([C@H](C)C(N)=O)C2)nc1 1028936401 WVPTYTXTTYPEPU-DGCLKSJQSA-N 300.362 -0.012 30 20 DBED CC#CCN1[C@H]2CC[C@H]1CN(C(=O)[C@H]1CCS(=O)(=O)N1)C2 1029588475 XQVYWCIPYZTAKA-RWMBFGLXSA-N 311.407 -0.623 30 20 DBED CS(=O)(=O)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]c(C#N)c1 1032362563 HIKFQEVEZZAFPH-STQMWFEESA-N 322.390 -0.170 30 20 DBED C=CCCn1cc(C(=O)N(C)[C@H]2CCN([C@H](C)C(N)=O)C2)nn1 1033484259 PYVIYQRGSCKVHP-NEPJUHHUSA-N 320.397 -0.126 30 20 DBED N#CCN1CC[C@H]1CNC(=O)c1ccccc1OCC(N)=O 1038489333 QADJBFHHCCQQIJ-NSHDSACASA-N 302.334 -0.122 30 20 DBED CCO[C@@H](C)C(=O)N1CC[C@](O)(CNC(=O)C#CC2CC2)C1 1039676880 BOJDOQLHMNMUQI-LRDDRELGSA-N 308.378 -0.096 30 20 DBED N#CCN1CCC[C@]2(CCN(C(=O)CN3CC(=O)NC3=O)C2)C1 1040454039 RZCQQELYZDQDJZ-HNNXBMFYSA-N 319.365 -0.624 30 20 DBED CN1CCC[C@@H]1C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1O 1040944151 HYHFKBXFDVWASR-IJLUTSLNSA-N 316.365 -0.892 30 20 DBED Cc1nsc(N2C[C@@H](O)[C@H](NC(=O)c3cnon3)C2)c1C#N 1041134819 KACBTOPWGAVGBJ-NXEZZACHSA-N 320.334 -0.314 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)c2ccncc2)C1 1041171395 JDVQDFBBOMNHJC-UHFFFAOYSA-N 305.334 -0.413 30 20 DBED CN1CC(=O)N(CC(=O)N2CC[C@@]3(CCN(CC#N)C3)C2)C1=O 1041820465 QWMKPRWQMINURN-OAHLLOKOSA-N 319.365 -0.672 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)COC(C)C)C1 1041850514 WNGYEFLUPNCUEG-LBPRGKRZSA-N 312.366 -0.861 30 20 DBED CC[C@@H](OC)C(=O)NCC1(O)CN(C(=O)CSCC#N)C1 1041905325 UEVLPHLAEQLIKG-SNVBAGLBSA-N 315.395 -0.642 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)[C@H]2CC[C@@H](C)O2)C1 1042052650 PQBVESAAPDCOJY-VXGBXAGGSA-N 312.366 -0.554 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)CC[C@H]2CCOC2)C1 1042454180 IXBHEOCVFNBUJR-RYUDHWBXSA-N 309.366 -0.348 30 20 DBED C=C[C@H](C)[C@H](C)C(=O)N1CC(O)(CNC(=O)Cn2nccn2)C1 1043214050 WPXQITHAUGHENB-RYUDHWBXSA-N 321.381 -0.574 30 20 DBED C=C(C)CCC(=O)NCC1(O)CN(C(=O)C[C@@H]2CCNC2=O)C1 1043315715 SHHIEUMSYCOWTI-LBPRGKRZSA-N 323.393 -0.442 30 20 DBED CCCN1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@H](C)C#N)C1 1043416249 VGJHEZLVLUXZCL-OLZOCXBDSA-N 322.409 -0.290 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)[C@H]2OCCO[C@H]2C)C1 1043651828 QQQAJPSGFXDNBH-JSGCOSHPSA-N 324.377 -0.717 30 20 DBED C#CCN[C@@H]1CCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)[C@@H](C)C1 1044762103 DNTAWPMFRYKJOB-WDEREUQCSA-N 320.349 -0.991 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3nccn3C2)C1 1047435977 QPEHLHXSVUJRAJ-ILXRZTDVSA-N 316.405 -0.028 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)[C@H]1CCN(C(=O)C(F)F)C1 1049656993 NRTSFHCOLNLXJI-ZJUUUORDSA-N 315.320 -0.256 30 20 DBED N#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1c(O)nnc1O 1049867787 PATIXCAQQMWADF-VHSXEESVSA-N 306.326 -0.722 30 20 DBED N#Cc1nccc(N2CC[C@H](NC(=O)c3ccon3)[C@@H](O)C2)n1 1051631986 NCJVIBUPWVSRNJ-ONGXEEELSA-N 314.305 -0.294 30 20 DBED C#CCN1CCN([C@H]2CCN(C(=O)[C@@H]3CCCNC3=O)C2)CC1 1052037993 WOCSUSZKWNXHJX-LSDHHAIUSA-N 318.421 -0.636 30 20 DBED N#Cc1ccc(NC2CC(CNC(=O)[C@H]3CCNC3=O)C2)nn1 1052047117 QZHKSAZHTHNRHN-NHNAUAITSA-N 314.349 -0.209 30 20 DBED COCCN1C[C@@H](C(=O)N[C@@H]2CCCN(CC#N)CC2)CC1=O 1052429858 OFKUNLXAJAFVPF-UONOGXRCSA-N 322.409 -0.024 30 20 DBED C[C@@H](C(=O)N(C)C)N1CC2(CN(C(=O)C#CC3CC3)CCO2)C1 1053250405 NDGRZBDDZDPJAH-ZDUSSCGKSA-N 319.405 -0.210 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)Cc1ccn(C)n1)CCO2 1053254929 WNCHDDSCWJIYMQ-UHFFFAOYSA-N 302.378 -0.101 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)C[C@H]1CCN(C)C1=O)CCO2 1053298161 IXGOBZLBDBZHBP-CQSZACIVSA-N 319.405 -0.209 30 20 DBED C#CCN1CC2(CC[C@H](CNC(=O)c3cn(C)c(O)n3)O2)C1 1053656233 USPFRMSQNSJXHF-LLVKDONJSA-N 304.350 -0.278 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)C[C@@H]3CCCC(=O)N3)CO2)C1 1053866205 VEQCXIIMVGCNRE-NWDGAFQWSA-N 306.366 -0.472 30 20 DBED C[C@@H]1CCN(C(=O)C(=O)N[C@H]2COC3(C2)CN(CC#N)C3)C1 1053976666 HEFKIQGUYRVSDV-VXGBXAGGSA-N 306.366 -0.662 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)[C@@H]3CCC(=O)N(C)C3)CO2)C1 1054017562 FFOCHLCNZDJXQY-CHWSQXEVSA-N 305.378 -0.553 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H](N[C@@H]2CCNC2=O)C1 1054296184 OBYFFZGGRRSUKY-KFWWJZLASA-N 318.421 -0.447 30 20 DBED Cc1c[nH]c(C(=O)N[C@]2(CO)CCCN(C(=O)[C@@H](C)C#N)C2)n1 1055963574 SPRMJXCNFQPOKC-ZUZCIYMTSA-N 319.365 -0.039 30 20 DBED N#Cc1ccc(N2C[C@H]3[C@H](NC(=O)c4c[nH]c(=O)cn4)[C@H]3C2)nn1 1056389687 NSXSAKXEWCZJAD-MSRIBSCDSA-N 323.316 -0.704 30 20 DBED C#CCOCCC(=O)NCCN(CCO)C(=O)c1cccnc1 1056808051 JVINXQYCSXMEBE-UHFFFAOYSA-N 319.361 -0.328 30 20 DBED CN(c1ccnc(C#N)n1)[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1 1056947928 OOXDJUWQJYJAII-MNOVXSKESA-N 314.349 -0.336 30 20 DBED CN(c1ccc(C#N)nn1)[C@H]1CCN(C(=O)Cn2nccn2)C1 1056972647 NRBCXIVFODOHOH-LBPRGKRZSA-N 312.337 -0.323 30 20 DBED N#CCSCC(=O)NCCN(CCO)C(=O)c1cn[nH]c1 1057073316 WXHRHJHPYVUDFI-UHFFFAOYSA-N 311.367 -0.783 30 20 DBED C=CCCOCC(=O)NCCN(CCO)C(=O)C[C@@H](C)OC 1057163503 SQMHNWZMOHQVMU-CYBMUJFWSA-N 316.398 -0.059 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)[C@@H]1CN(C)C[C@@H]1C 1057524912 WKBHBLVJVBUNTQ-LSDHHAIUSA-N 323.437 -0.219 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)[C@H]1CC[C@@H]1C(N)=O 1058294554 OXIADKAKKIMVKJ-STQMWFEESA-N 323.393 -0.762 30 20 DBED C=C[C@H](CC)CC(=O)NCCN(CCO)C(=O)c1nnn(C)n1 1058422135 VDPYGZANRJEJOR-LLVKDONJSA-N 324.385 -0.637 30 20 DBED Cc1ccc(C(=O)NCCN(CCO)C(=O)[C@H](C)C#N)c(O)n1 1058658877 NOUDAJJXABYKOY-SNVBAGLBSA-N 320.349 -0.194 30 20 DBED N#Cc1ccc(N[C@H]2C[C@@H](NC(=O)[C@H]3CCNC(=O)C3)C2)nn1 1059597232 URTVIWPTUHDLGC-ZMLRMANQSA-N 314.349 -0.066 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)Cc1cnn(C)c1 1061412209 NAPMSNVBQPGFOS-WCQYABFASA-N 319.365 -0.534 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)c1cc[n+]([O-])cc1 1061845241 FVUMYZRCAODQHL-WCQYABFASA-N 318.333 -0.563 30 20 DBED CNC(=O)CCCC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H](C)C#N 1061848117 OVTNJBUYXJAUTO-RYUDHWBXSA-N 324.381 -0.594 30 20 DBED CN(C(=O)[C@@H]1COC(=O)N1)[C@H]1CCN(c2cnc(C#N)cn2)C1 1062928597 LWCGBSJADXZQOH-QWRGUYRKSA-N 316.321 -0.506 30 20 DBED CCc1nc(C#N)cc(N2CC[C@@H](N(C)C(=O)C(N)=O)C2)n1 1063019129 RXJCDJJZHUAROI-SNVBAGLBSA-N 302.338 -0.567 30 20 DBED C=CCO[C@H](C)C(=O)NCC1(NC(=O)CNC(N)=O)CCC1 1063425341 FCCASJUHOVLTGI-SNVBAGLBSA-N 312.370 -0.599 30 20 DBED C=CCCOCC(=O)NCC1(NC(=O)CNC(C)=O)CCC1 1063425806 QCRBEYAQAMSUJQ-UHFFFAOYSA-N 311.382 -0.130 30 20 DBED N#Cc1nccc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)Cn2ccnc2)n1 1064269686 FKWRZKMCLRGGAC-JRPNMDOOSA-N 309.333 -0.062 30 20 DBED C=CC(C)(C)C(=O)NC[C@@H]1CN(C(=O)CNC(C)=O)CCO1 1064784971 VBCIBJYYDQQPHV-GFCCVEGCSA-N 311.382 -0.322 30 20 DBED CNC(=O)CC(=O)N1CCO[C@H](CNC(=O)C#CC(C)(C)C)C1 1065078490 GJSQCGBGMDAULS-GFCCVEGCSA-N 323.393 -0.484 30 20 DBED N#Cc1cncc(N2CC[C@H]3[C@H]2CCCN3C(=O)C(N)=O)n1 1066182823 ISDGZOKIPVCLJN-MNOVXSKESA-N 300.322 -0.597 30 20 DBED CCS(=O)(=O)CC(=O)N(C)CCCN(C)C(=O)[C@H](C)C#N 1067626048 LGNBVUQNUNTZKQ-LLVKDONJSA-N 317.411 -0.112 30 20 DBED C[C@]12CN(C(=O)C(N)=O)C[C@@]1(C)CN(c1ccnc(C#N)n1)C2 1068427183 WUYUODIBJZANLZ-GASCZTMLSA-N 314.349 -0.492 30 20 DBED C=C(C)C(C)(C)C(=O)N[C@H]1COC2(C1)CN(C(=O)C(N)=O)C2 1068948066 NYQQADUIMIIHJX-SNVBAGLBSA-N 309.366 -0.440 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCC[C@@]2(CCN(C(=O)C(N)=O)C2)C1 1069759978 LHXMJJXPOBDBOM-BLLLJJGKSA-N 323.393 -0.096 30 20 DBED C[C@@H]1CN(C(=O)CSCC#N)C[C@@H]1NC(=O)c1ncn(C)n1 1071661562 LXANOZAGVMBPJP-ZJUUUORDSA-N 322.394 -0.351 30 20 DBED C=CCOCC(=O)N1C[C@H](C)[C@@H](NC(=O)c2ccc(O)nn2)C1 1071809768 YLFRAXPCEQPSMG-JQWIXIFHSA-N 320.349 -0.039 30 20 DBED CC1(NC(=O)C#CC2CC2)CCN(C(=O)Cn2ncnn2)CC1 1073049461 KUVZUNJELMPGKO-UHFFFAOYSA-N 316.365 -0.416 30 20 DBED C=C(C)C[C@@H](C)C(=O)N1CCN(C2CN(C(=O)C(N)=O)C2)CC1 1073592310 GOGFOUKLVARLKR-GFCCVEGCSA-N 322.409 -0.571 30 20 DBED CCOCC(=O)N1CC(N2CCN(C(=O)[C@@H](C)C#N)CC2)C1 1073597072 PPAFSTVLUPSSJX-LBPRGKRZSA-N 308.382 -0.462 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](NC(=O)c2nc[nH]n2)[C@@H](C)C1 1074107884 XGYANJFDNNAAPA-NWDGAFQWSA-N 319.365 -0.189 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)c3coc(C(N)=O)c3)C[C@@H]21 1074302952 ZWCHYFVOBORDNP-QWHCGFSZSA-N 317.345 -0.073 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CCN(C(=O)c2cnnn2C)CC1 1074569957 ZYSWGVZUQSLBPI-SNVBAGLBSA-N 320.353 -0.942 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](NC(=O)COC)C[C@H]1C 1074768399 MGVFREIOWKYIOD-NEPJUHHUSA-N 309.366 -0.732 30 20 DBED CC#CCN1C[C@@H]2CCN(C(=O)[C@@H]3CCS(=O)(=O)N3)[C@@H]2C1 1076582503 ZGQYTOBUIWNFQR-RWMBFGLXSA-N 311.407 -0.766 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(C(=O)C2=CCOCC2)C[C@@H]1O 1081471548 PDEHUCIODTYQCS-GJZGRUSLSA-N 318.373 -0.318 30 20 DBED C=C(C)CCC(=O)NC[C@@H]1CN(C(=O)CNC(C)=O)C[C@H]1O 1081528630 OYWZSXUDIGLNFY-CHWSQXEVSA-N 311.382 -0.586 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CCc2cnn[nH]2)C1 1081779035 HVAMQDVBZQWCCQ-WCQYABFASA-N 321.381 -0.361 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)Cn1ncc2cccnc21 1081957500 SXUAMXGHWBMRLM-CHWSQXEVSA-N 314.349 -0.230 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cccc(C(N)=O)n1 1083287207 XLJRQINWNKYGCW-UONOGXRCSA-N 314.345 -0.661 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)[C@H]2CCC(=O)NC2)C1 1083593276 IXZMCUPLYHTXDX-AXFHLTTASA-N 301.774 -0.574 30 20 DBED Cc1cc(C)n2nc(C(=O)N[C@@H]3CN(CC#N)C[C@@H]3O)nc2n1 1084023424 RACNEWLEFKFHNY-MNOVXSKESA-N 315.337 -0.960 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2ccc3nc(O)oc3c2)C1 1084093023 BIDWSXOHQRYWNU-MNOVXSKESA-N 302.290 -0.168 30 20 DBED C=CCN1CC[C@H](N2CC[C@@H]2CN(C)C(=O)c2cnn[nH]2)C1=O 1085693086 YAWRVORNANBKNT-YPMHNXCESA-N 318.381 -0.262 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](N[C@H](CC)C(N)=O)C1 1086110114 UFJKYKOEUUWWHV-BARDWOONSA-N 320.437 -0.168 30 20 DBED N#CCN[C@H]1C[C@@H](CNC(=O)[C@H]2COCCN2CC(F)F)C1 1086158946 CYJUSOQCZUVYHX-GRYCIOLGSA-N 316.352 -0.040 30 20 DBED N#CCN1CC[C@@H]2CN(C(=O)CN3C(=O)CCC3=O)C[C@@H]2C1 1088195137 OJPDCBTWSJLSPU-NEPJUHHUSA-N 304.350 -0.561 30 20 DBED C[C@@H]1[C@@H](NC(=O)c2coc(S(N)(=O)=O)c2)CCN1CC#N 1088676216 WGWZFJPVYQOIES-SCZZXKLOSA-N 312.351 -0.357 30 20 DBED N#CCN1C[C@H]2[C@H]3CC[C@@H]([C@H]2C1)N(C(=O)C1CS(=O)(=O)C1)C3 1089805958 MPAXHZJIGBIHMG-PYJNHQTQSA-N 323.418 -0.277 30 20 DBED Cc1nc2cc(C(=O)N[C@H]3CCN(CC#N)C[C@@H]3O)cnc2[nH]1 1090313711 SIKKKQGWYAJXHF-AAEUAGOBSA-N 314.349 -0.045 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(c2nc(C)cc(OC)n2)C[C@H]1O 1090391745 LIYKNOXHIITQLF-VXGBXAGGSA-N 322.365 -0.338 30 20 DBED N#CCN1CC[C@H](NC(=O)c2cnc3n2CCCC3)[C@@H](O)C1 1090513926 DXFQKIBGLTWITA-AAEUAGOBSA-N 303.366 -0.092 30 20 DBED C=CCN1CC[C@H](NC(=O)c2nc(O)nc(O)c2OC)[C@H](O)C1 1090717902 AGXFSJUGJMUWJG-DTWKUNHWSA-N 324.337 -0.753 30 20 DBED CCOCC(=O)N[C@@H]1CN(c2ccc(C#N)c(C)n2)C[C@@H]1O 1091069104 CUCFEUXUNHQHPD-OLZOCXBDSA-N 304.350 -0.036 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CN(c2ncnc3c2cnn3C)C[C@@H]1O 1091079853 YIAGEIIAVKNXBO-GDPRMGEGSA-N 315.337 -0.811 30 20 DBED COCCCC(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1091089653 JKOIKBUWLVVPKE-MNOVXSKESA-N 305.338 -0.559 30 20 DBED C#CCN1C[C@@H]2CN(C(=O)CCn3ncn(C)c3=O)C[C@]2(C)C1 1091881534 NACBBUIAQOWMRS-CJNGLKHVSA-N 317.393 -0.615 30 20 DBED N#Cc1ccc(N2C[C@H]3[C@H](NC(=O)C4(C(N)=O)CC4)[C@H]3C2)nc1 1093355302 FFFCXPLTNGLIEX-PJXYFTJBSA-N 311.345 -0.230 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCCNc1ccc2nnnn2n1 1094132173 SSUXNRIEMXAGRA-ZJUUUORDSA-N 303.326 -0.362 30 20 DBED C=CCN1CC(n2cc(CNC(=O)[C@H]3OCCO[C@H]3C)nn2)C1 1094297094 VRWPJFZNQOZNDJ-FZMZJTMJSA-N 321.381 -0.259 30 20 DBED CCN1CCOC[C@@H]1C(=O)NCCCNc1cncc(C#N)n1 1094654233 IDIBHCUIMMQQPA-CYBMUJFWSA-N 318.381 -0.013 30 20 DBED N#CCN1CC(N2C[C@H](NC(=O)C3=CCOCC3)CC2=O)C1 1094731819 RISDZJBODBBHNN-GFCCVEGCSA-N 304.350 -0.742 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)[C@H]3OCC[C@H]3CC)CC2=O)C1 1094746120 RKJMIHQFIFFPIN-IOASZLSFSA-N 319.405 -0.164 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)[C@]3(C)CNC(=O)C3)CC2=O)C1 1094764159 QRHKDKJMWXUWNE-BZNIZROVSA-N 320.393 -0.900 30 20 DBED CC#CCN1CC(N2C[C@@H](NC(=O)[C@@]3(F)CCOC3)CC2=O)C1 1094778360 LWOYTQZCCOTKOL-BLLLJJGKSA-N 323.368 -0.460 30 20 DBED C=C(Cl)CN1CC(N2C[C@@H](NC(=O)c3nc[nH]n3)CC2=O)C1 1094797135 ILQPPABPZCNRLA-VIFPVBQESA-N 324.772 -0.428 30 20 DBED CC(=O)NCC(=O)N1CC[C@@H](N(C)c2nccnc2C#N)C1 1095088240 NZIQMWVCBDWOIP-LLVKDONJSA-N 302.338 -0.479 30 20 DBED N#Cc1cnc(N2CCC[C@@H](NC(=O)CNC(N)=O)C2)cn1 1096136918 PTPIYIHASXCVQQ-SECBINFHSA-N 303.326 -0.898 30 20 DBED CCc1nc(C#N)cc(N[C@H](C)CNC(=O)[C@H](C)NC(N)=O)n1 1097774954 WPAUTEMUDCIHDC-BDAKNGLRSA-N 319.369 -0.116 30 20 DBED C[C@H](CNC(=O)COC[C@H]1CCCO1)N=c1cc[nH]c(C#N)n1 1097927717 GBPJLUXLLCGPTJ-VXGBXAGGSA-N 319.365 -0.118 30 20 DBED Cc1cc(C#N)nc(N[C@@H](C)CNC(=O)[C@H]2CCNC2=O)n1 1098211008 CJDQAIIGCXOKQG-ONGXEEELSA-N 302.338 -0.291 30 20 DBED C[C@@H](CNC(=O)[C@H]1CN(C)C[C@@H](C)O1)Nc1ccc(C#N)nn1 1098363277 RPCSVZMLIJKPHW-DMDPSCGWSA-N 318.381 -0.016 30 20 DBED C[C@@H](CNC(=O)c1ccc(=O)n(C)c1)N=c1cc[nH]c(C#N)n1 1098400299 UVVSTEVTEPJXHJ-JTQLQIEISA-N 312.333 -0.301 30 20 DBED C[C@@H](CNC(=O)c1nnc(O)nc1O)Nc1cncc(C#N)n1 1098435679 RIPGCKPCWMFWTP-LURJTMIESA-N 316.281 -0.825 30 20 DBED C=CCN1C[C@@H]2CCC[C@]2(NC(=O)CN2CCN(C)C(=O)C2)C1 1098912611 NCYIQXKRRBDECP-YOEHRIQHSA-N 320.437 -0.083 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@H]1C(F)(F)F 1099298577 VYWKMDJIWLNMAY-PSASIEDQSA-N 314.267 -0.004 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CCN(CCOCCO)C[C@H]2O)c1 1099757853 KORQEOBRGCMFTA-TZMCWYRMSA-N 322.365 -0.940 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCN(CCC(C)C)C[C@@H]1O 1099789252 LYNMWIAWDICCSE-KGLIPLIRSA-N 309.410 -0.277 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)CC2(O)CCC2)[C@H](O)C1 1099823575 FPZXEFGLVBVTME-ZIAGYGMSSA-N 310.394 -0.507 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)c2ccncn2)[C@@H](O)C1 1100039982 ZHKNPTDHJRARGT-JSGCOSHPSA-N 306.366 -0.156 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)c2nccs2)[C@@H](O)C1 1100043308 FSEGHZVQBQCREP-QWRGUYRKSA-N 322.390 -0.943 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CCn2cnccc2=O)[C@@H](O)C1 1100055445 CNHSJJDDMQAGJF-KGLIPLIRSA-N 318.377 -0.792 30 20 DBED CN(CCNC(=O)c1ccc(=O)n(C)n1)c1ccncc1C#N 1100095316 DSKRVPSYGAXOKU-UHFFFAOYSA-N 312.333 -0.087 30 20 DBED CN1C[C@H](C(=O)NCCN(C)c2nccnc2C#N)CCC1=O 1100150763 PFMOVXHSIRTDTI-LLVKDONJSA-N 316.365 -0.231 30 20 DBED C=CCNC(=O)CNC1CC(CNC(=O)C[C@@H]2COC(=O)C2)C1 1100247507 HDTHMUUZJCLNNI-CPCZMJQVSA-N 323.393 -0.274 30 20 DBED COCC(=O)N[C@@H](C)C(=O)NCCN(C)c1ccc(C#N)nc1 1100377923 ABRVIZJZFAPDLL-NSHDSACASA-N 319.365 -0.343 30 20 DBED CN(CCNC(=O)c1nnc(O)nc1O)c1ccc(C#N)cn1 1100416330 YNWTVVTUFRBBKQ-UHFFFAOYSA-N 315.293 -0.584 30 20 DBED CCN(CCNC(=O)C1CS(=O)(=O)C1)c1cncc(C#N)n1 1100624044 QPHZCGABBGGQAI-UHFFFAOYSA-N 323.378 -0.665 30 20 DBED CS(=O)(=O)CC(=O)NC[C@H]1CCN(c2nccnc2C#N)C1 1100962344 ZVYIYVUNNJEQBB-SNVBAGLBSA-N 323.378 -0.665 30 20 DBED N#Cc1nccc(N(CCNC(=O)Cn2cncn2)C2CC2)n1 1101345521 RIIAFIQPNVMWMH-UHFFFAOYSA-N 312.337 -0.275 30 20 DBED CN(CCNc1ccc(C#N)nn1)C(=O)[C@H]1CCC(=O)NC1 1102027584 OPILGUDOKXTXNZ-JTQLQIEISA-N 302.338 -0.255 30 20 DBED N#Cc1ccc(N2CC[C@@H](CCNC(=O)CNC(N)=O)C2)nc1 1102283467 WFRYGKWKFPRXCN-LLVKDONJSA-N 316.365 -0.046 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)c2cn[nH]c2)C1 1102704758 YDGINJQGRAOHRX-CHWSQXEVSA-N 317.393 -0.153 30 20 DBED Cc1cc(=NC[C@@H](C)CNC(=O)CS(C)(=O)=O)c(C#N)c[nH]1 1103868074 DAQCQPVXNDZSDD-SNVBAGLBSA-N 324.406 -0.108 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)C[C@H]2CCOC2)nn1 1105759472 MTDPRRGYQLTXBE-ZYHUDNBSSA-N 305.338 -0.336 30 20 DBED CC[C@@H](C(=O)NC[C@H](O)CNc1cnc(C#N)cn1)N(C)C 1105925868 INBQZEBPYKNKTM-NEPJUHHUSA-N 306.370 -0.423 30 20 DBED CN(C)C1(C(=O)NC[C@@H](O)CNc2cncc(C#N)n2)CCC1 1106003571 DQJSVIUYZCWHKE-LBPRGKRZSA-N 318.381 -0.278 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)c2cncnc2O)cn1 1106007623 SXBCHHNZHMOORE-NSHDSACASA-N 314.305 -0.348 30 20 DBED C[C@@H]1CCO[C@@H]1C(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1 1106122268 WZDCBBMKHRYVKS-NRUUGDAUSA-N 305.338 -0.916 30 20 DBED CC(=O)N(C)CC(=O)NC/C=C\CNc1cnc(C#N)cn1 1107049046 IGUSSQHBLDTYIP-ARJAWSKDSA-N 302.338 -0.089 30 20 DBED COCC1(C(=O)NCc2cn(C3CN(CC#N)C3)nn2)CC1 1107184497 MWPHDBRCESOFGZ-UHFFFAOYSA-N 304.354 -0.299 30 20 DBED C[C@H](C#N)C(=O)NC[C@@]1(C)CN(CCS(C)(=O)=O)CCO1 1107820702 BGRKVSMZXMXUAK-YPMHNXCESA-N 317.411 -0.602 30 20 DBED CO[C@H](C(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1)C(C)C 1108569948 SNIKHFAENLFXQC-FZMZJTMJSA-N 308.382 -0.418 30 20 DBED CNS(=O)(=O)CC(=O)N1C[C@H]2C[C@H](NCC#N)C[C@H]1C2 1108823849 RRRVBQIWRUCQCX-GARJFASQSA-N 300.384 -0.972 30 20 DBED CN(CCCN=c1cc[nH]c(C#N)n1)C(=O)C(C)(C)C(N)=O 1109543117 DNWICURYLKKPMC-UHFFFAOYSA-N 304.354 -0.458 30 20 DBED N#Cc1cncc(NC2(CNC(=O)[C@H]3CNC(=O)N3)CC2)n1 1110324249 FXDDSXAFLNBPHH-SECBINFHSA-N 301.310 -0.910 30 20 DBED CCO[C@@H](C)C(=O)N(C)[C@H]1CN(c2nccnc2C#N)C[C@@H]1O 1111174668 UACXPDRBSBHHTA-DRZSPHRISA-N 319.365 -0.219 30 20 DBED CC(=O)NCC(=O)NCC1(Nc2ccc(C#N)nn2)CCC1 1111748443 XMWFOIYDJVMABZ-UHFFFAOYSA-N 302.338 -0.065 30 20 DBED Cc1[nH]nc(C(=O)N2CCN(CC(=O)NCC#N)CC2)c1C 1112732715 WASPWDAOXJYILZ-UHFFFAOYSA-N 304.354 -0.576 30 20 DBED C[C@H](NC(N)=O)C(=O)NC[C@@H](C)N(C)c1ncccc1C#N 1113576697 UMMQNLLYVCBNPV-ZJUUUORDSA-N 304.354 -0.049 30 20 DBED Cn1ncnc1CN1C[C@H]2C(NC(=O)CSCC#N)[C@@H]2C1 1113891046 LMVMQWYQIGRIPK-NXEZZACHSA-N 306.395 -0.382 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)COCC=C)[C@H]2C1 1114051102 OSDYOVIWVRSTQU-RMRHIDDWSA-N 305.378 -0.627 30 20 DBED N#Cc1cncc(N2CCCCC[C@H]2CNC(=O)C(N)=O)n1 1114377285 FMJNCNPXRUZEGM-NSHDSACASA-N 302.338 -0.301 30 20 DBED N#CCNC(=O)CN1C[C@@H]2C(NC(=O)C3(F)CCCC3)[C@H]2C1 1114502376 SYQDIOBGUJGONY-QWRGUYRKSA-N 308.357 -0.045 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3c[nH]nc3C)[C@H]2C1 1114658597 SQUBVSNNIQIHQJ-IMRBUKKESA-N 303.366 -0.320 30 20 DBED C#CCCN1C[C@H]2[C@H](NC(=O)CCC(=O)N3CCOCC3)[C@H]2C1 1115208644 HJYWKWMMHYJONR-HALDLXJZSA-N 319.405 -0.305 30 20 DBED CC(=O)NCC(=O)NCC[C@@H](N=c1cc[nH]c(C#N)n1)C(C)C 1115297444 CJIOBSCOFYGZFU-GFCCVEGCSA-N 318.381 -0.151 30 20 DBED CO[C@@H](CNC(=O)C(=O)N1CC[C@@](O)(CC#N)C1)C(F)(F)F 1118218525 IDGYSZDYINUZRT-KWQFWETISA-N 323.271 -0.443 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)NCc1cn(CC=C)nn1 1118723103 YOIYKRKXNVJTBW-UHFFFAOYSA-N 319.365 -0.421 30 20 DBED C=CCCN(C)C(=O)C(=O)N1CCC(C(=O)NCCO)CC1 1119014067 KKTOUTNEIGBWLC-UHFFFAOYSA-N 311.382 -0.632 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)NCCNC2CC2)CCN1C1CC1 1119293999 JUZCUGMXLFMCSM-ZDUSSCGKSA-N 305.382 -0.947 30 20 DBED N#C[C@@H]1CCCN(C(=O)C(=O)N2CCN([C@@H]3CCNC3)CC2)C1 1119610777 GNSGJDUTHYMTPD-UONOGXRCSA-N 319.409 -0.745 30 20 DBED Cc1cc(C#N)nc(N[C@@H](CO)CNC(=O)c2cn(C)cn2)n1 1121302386 ANQCCUQIGZIJEO-LLVKDONJSA-N 315.337 -0.407 30 20 DBED CN1CCC(C(=O)NC[C@H](CO)Nc2ccc(C#N)nn2)CC1 1121718961 UOPLWKUQQJEFKB-CYBMUJFWSA-N 318.381 -0.421 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)c1ccccn1 1124024491 XMGZDRZXRRAWPX-NSHDSACASA-N 312.333 -0.290 30 20 DBED CN(C[C@@H](O)CNc1cncc(C#N)n1)C(=O)c1cnn(C)c1 1124030944 WAIYELVTQYTCOR-LBPRGKRZSA-N 315.337 -0.373 30 20 DBED C=CCOCC(=O)NCCN[C@H](C)C(=O)Nc1ncccn1 1124765098 LDEUPKWSMFBNQV-LLVKDONJSA-N 307.354 -0.288 30 20 DBED CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)c1ccc(C#N)[nH]1 1125818846 NUDQUBRLYDQCIA-MRVPVSSYSA-N 306.326 -0.950 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)c1cc(OC)no1 1126032185 IUZMFRJUDBFGNE-UHFFFAOYSA-N 323.353 -0.235 30 20 DBED COCCN(CCNC(=O)CNC(C)=O)c1ccncc1C#N 1126181218 SMVWOCZAFNPZNO-UHFFFAOYSA-N 319.365 -0.342 30 20 DBED COCCO[C@@H](C)C(=O)N1C[C@H](n2ccnn2)[C@H](NCC#N)C1 1130026528 SURGWAWFDYYBTQ-XQQFMLRXSA-N 322.369 -0.805 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cccc(COC)c1 1130947348 OWUHTERNNWMFPQ-UHFFFAOYSA-N 303.362 -0.098 30 20 DBED C#CCNC(=O)CN1C[C@H](NC(=O)c2ccn(C)n2)CC[C@@H]1C 1132482686 YFRDOZTVGUZUFB-QWHCGFSZSA-N 317.393 -0.248 30 20 DBED C#CCNC(=O)CN1C[C@H](NC(=O)Cn2ccnc2)CC[C@H]1C 1132532304 ASICKMHRJLHKJL-ZIAGYGMSSA-N 317.393 -0.398 30 20 DBED C=CCNC[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)CC[C@@H]1C 1133185596 GAZHSJJSOAEZGE-NWDGAFQWSA-N 308.382 -0.202 30 20 DBED C[C@@H](C[C@@H](C)NCC#N)NC(=O)CN1CCCS1(=O)=O 1134552788 GKQKZTPDBKPJIS-MNOVXSKESA-N 302.400 -0.582 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)c1ccnnc1 1135537165 XROYPWZMINCLAS-VXGBXAGGSA-N 303.366 -0.288 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN([C@H]2CCNC2=O)CCCO1 1149638856 JKGDORAMRISPQF-KGLIPLIRSA-N 307.394 -0.115 30 20 DBED CC(C)C[C@@H](C(N)=O)C(=O)NC[C@@H]1CN(CC#N)CCCO1 1150832003 OZBDOFWVXBABQJ-OLZOCXBDSA-N 310.398 -0.135 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)CCNC(=O)CC(C)C 1153616790 MBVNICOVJHMKMM-CYBMUJFWSA-N 324.425 -0.618 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@H]1CCN(CC(C)C)C1 1159839362 ZHIMPINYHNKMHI-HNNXBMFYSA-N 322.453 -0.190 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCCCNCCS(C)(=O)=O 1166982350 MYUZHTBDJABGRT-NEPJUHHUSA-N 304.412 -0.282 30 20 DBED N#CCNC(=O)CNCCCNC(=O)[C@@H]1CCC[C@H]2CCCN21 1168023037 SUODBFACIOXZBK-KBPBESRZSA-N 321.425 -0.261 30 20 DBED C=C(C)CCN1CCO[C@@H]2CCN(C(=O)CNC(N)=O)C[C@@H]21 1176907747 SCQJZHDDYBTYEJ-QWHCGFSZSA-N 310.398 -0.077 30 20 DBED CC#CCN[C@H]1CCN(C(=O)c2cnc(O)n(C)c2=O)[C@H]1C 1179294857 GFNMUKQDQQSYQV-JQWIXIFHSA-N 304.350 -0.298 30 20 DBED C#CCNC(=O)CNCCCCCCNC(=O)C1(C(N)=O)CC1 1179431137 YDOPKWBJHNINIJ-UHFFFAOYSA-N 322.409 -0.733 30 20 DBED C#CCNC[C@H]1CN(C(=O)CN(C)C(C)=O)CC12CCOCC2 1186265536 RTGLCXBJQQQHAO-HNNXBMFYSA-N 321.421 -0.057 30 20 DBED CCC[C@@H](OC)C(=O)N1CC[C@H]2CN(CC(=O)NCC#N)C[C@H]21 1188767931 HHKMRJPTLMBUES-BFHYXJOUSA-N 322.409 -0.026 30 20 DBED C=CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3n[nH]cc3F)[C@@H]2C1 1189069630 REQMSRAXBCBZIU-CMPLNLGQSA-N 321.356 -0.003 30 20 DBED CNC(=O)NC(=O)CN(C)[C@H]1CCN(C(=O)C#CC(C)C)C1 1190046470 ISWLTVHUSHDSGX-LBPRGKRZSA-N 308.382 -0.366 30 20 DBED N#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C2CCCCC2)C1 1190757553 AFKJRBVJQVIUME-CHWSQXEVSA-N 308.382 -0.632 30 20 DBED N#CCSCC(=O)N[C@@H]1CN(Cc2cnns2)C[C@H]1O 1191161913 MXMMGXBGZDHHIY-NXEZZACHSA-N 313.408 -0.544 30 20 DBED C=CC(C)(C)CC(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1O 1193319522 CLPHHMCIHLUARA-VXGBXAGGSA-N 308.382 -0.610 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)C)C1 1195171769 BCGOBRHXSKHUJR-JHJVBQTASA-N 309.410 -0.278 30 20 DBED C=CCNC(=O)[C@H](C)NC1CCN(C(=O)c2cnn[nH]2)CC1 1201428051 GUFKXTDMUCQPMX-JTQLQIEISA-N 306.370 -0.310 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)C[C@H]2CCC(=O)N2)CCCO1 1201620158 CIFZGFNHGUUQDQ-ZIAGYGMSSA-N 307.394 -0.115 30 20 DBED COCC#CCN1C[C@@H](NC(=O)[C@H]2CC(=O)N(C)C2)[C@H](C)C1 1207273720 FRYCSWZQOIIRIH-HZSPNIEDSA-N 307.394 -0.449 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@H](NC[C@@H]2CCOC2)C1 1207871752 ARVNYCXUBYPPNT-KBPBESRZSA-N 307.394 -0.257 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)c1n[nH]cc1F 1208517836 XYSCQHCHADTOPY-PSASIEDQSA-N 308.317 -0.761 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)c2c[nH]c(=O)cn2)C1 1209277123 GHGRSBKFDFFADJ-LLVKDONJSA-N 319.365 -0.734 30 20 DBED CC[C@@H](C(=O)N1CCC[C@@H](NCC(=O)NCC#N)C1)N(C)C 1209670309 YDEJDTDHIREFRD-OLZOCXBDSA-N 309.414 -0.453 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)C23CCN(CC2)C3)C1 1210674559 ZDHSZGIKZODBBI-AWEZNQCLSA-N 318.421 -0.588 30 20 DBED CC#CCN[C@H]1CCCN(C(=O)c2cn(C)c(=O)nc2O)C1 1211057738 YIUGAWAHMGQUKL-NSHDSACASA-N 304.350 -0.297 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@@H](NCCn2cncn2)[C@H](C)C1 1214604524 FFNLHUYFPZNYEC-HZSPNIEDSA-N 305.382 -0.247 30 20 DBED C[C@@H]1CN(C(=O)c2ccns2)C[C@H]1NCC(=O)NCC#N 1214749666 SESGLSKDDAIVJS-NXEZZACHSA-N 307.379 -0.167 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)CC1CC1 1217177930 XXUCGCGLWKBXJF-UONOGXRCSA-N 305.378 -0.553 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H](C)CCCC)C1 1219562934 WAMAKJSBHOZDJE-MJBXVCDLSA-N 309.410 -0.277 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)[C@]23CCC[C@H]2OCC3)C1 1219991195 LEGWGUIRYVWNBT-DLTWYDFYSA-N 322.405 -0.243 30 20 DBED C[C@H](C(=O)NC(N)=O)N1CC[C@H]1CN(C)C(=O)C#CC1CC1 1234195057 HXQPAUCSFSXMLD-PWSUYJOCSA-N 306.366 -0.484 30 20 DBED CCOCCOC[C@@H](O)CNC(=O)Cc1noc(C)c1C#N 1255723755 YQPVJDJFGFELSO-NSHDSACASA-N 311.338 -0.073 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCN(C[C@H]2CCc3ncnn32)C1 1265283772 IQCLZDMPPVLESX-ZIAGYGMSSA-N 317.393 -0.004 30 20 DBED O=C(CCN1CCOCC1)NCCN/C(O)=C1\N=CC=CC1=O 1318496039 QAFFQYDZYBUSPC-CCEZHUSRSA-N 322.365 -0.649 30 20 DBED C#C[C@H](NC(=O)C(=O)NC1CCN(CC#N)CC1)[C@H]1CCCO1 1322563232 RKHYTQXKTUADFV-UONOGXRCSA-N 318.377 -0.612 30 20 DBED N#CCCCNC(=O)C(=O)NC[C@H]1COC2(CCOCC2)O1 1323143226 XVXQFEKZOMJGMX-NSHDSACASA-N 311.338 -0.555 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1 1323767871 UYJIXXCLYNAZEZ-QWRGUYRKSA-N 311.382 -0.181 30 20 DBED CCO[C@@H]1C[C@H](NC(=O)C(=O)N2CCO[C@H](C#N)C2)[C@@H]1OC 1323806595 IIQMNAWSCLBROH-KXNHARMFSA-N 311.338 -0.954 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N[C@@H]2CCN[C@H](C)C2)nn1 1326583289 HGOJQURZTILLCR-GHMZBOCLSA-N 306.370 -0.663 30 20 DBED Cc1csc(CNC(=O)C(=O)N2CC[C@](O)(CC#N)C2)n1 1328241480 GLTWSUTVSMCZQF-CYBMUJFWSA-N 308.363 -0.055 30 20 DBED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1ccnc(OCCO)c1 1329570382 HCSISVVWLWLRBV-GFCCVEGCSA-N 321.333 -0.718 30 20 DBED C=CCN(C(=O)C(=O)N1CCS(=O)(=O)CC1)[C@@H](C)COC 1330463138 LGURSHPGBJSJPS-NSHDSACASA-N 318.395 -0.707 30 20 DBED C=C[C@H](CO)NC(=O)[C@H]1CS(=O)(=O)C[C@H]1C(F)(F)F 1332469570 KGOHNBZZYJNDAK-GJMOJQLCSA-N 301.286 -0.127 30 20 DBED C=C(CC)CNC(=O)C(=O)N1CCN(CC(=O)NC2CC2)CC1 1345393399 UHIWCDPZROTTLO-UHFFFAOYSA-N 322.409 -0.508 30 20 DBED COCC#CC(=O)NC[C@H]1CCC[C@H]1NC(=O)C#CCOC 1347561712 VAQUQXWOXJDOPU-ZIAGYGMSSA-N 306.362 -0.313 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(CC)[C@H]2CCNC2)C1=O 1349908834 OKJILCQONHJWOF-JTQLQIEISA-N 308.338 -0.826 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[C@@H](N)C2)CCN1C1CC1 1353047322 DKFRITLLLFOBTE-YRGRVCCFSA-N 319.409 -0.429 30 20 DBED CN[C@@H](C)CCNC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1353302772 MDRCFVXEWKLUIZ-AAEUAGOBSA-N 307.398 -0.701 30 20 DBED COc1ccnc(CNC(=O)Cn2cc(C#N)c(O)nc2=O)c1 1362352247 ULVQOKICFJHVRW-UHFFFAOYSA-N 315.289 -0.459 30 20 DBED CN1[C@H]2CC[C@H]1CC(NC(=O)Cn1cc(C#N)c(O)nc1=O)C2 1362694551 LTOHGLAVZMTDBG-RYUDHWBXSA-N 317.349 -0.438 30 20 DBED CN(CCCc1[nH]nc(N)c1C#N)C[C@H](O)C[C@]1(O)CCOC1 1363796910 ZHUJWRQKAKUAMJ-IAQYHMDHSA-N 323.397 -0.370 30 20 DBED N#CCOc1cc(F)ccc1NC(=O)NC(CO)(CO)CO 1365165727 JSLNPZNHZIIEFU-UHFFFAOYSA-N 313.285 -0.435 30 20 DBED C=C(Cl)CNC[C@@H]1CN(C(=O)CCn2cnnn2)CCO1 1368514271 UFFPIVKJHLQBRW-LLVKDONJSA-N 314.777 -0.367 30 20 DBED C[C@H](C#N)C(=O)NC1CC(N(C)C(=O)CCn2cnnn2)C1 1371198694 WUFKXRHXXRXXJJ-KPPDAEKUSA-N 305.342 -0.672 30 20 DBED CCN(CCC#N)C(=O)CN1CC(NC(=O)[C@H]2CCCN2C)C1 1373419605 ZYWBKTKIYKICID-CQSZACIVSA-N 321.425 -0.357 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H](C)CNC(=O)CN1CCC(=O)NC1=O 1380923714 VFLRUHVDIWJMIR-VHSXEESVSA-N 323.353 -0.949 30 20 DBED C[C@H](C#N)C(=O)NCC1CN(C(=O)[C@H]2CCCN(C(N)=O)C2)C1 1387929128 MTWPPEXIRMOCNC-PWSUYJOCSA-N 321.381 -0.489 30 20 DBED C[C@H](C#N)C(=O)NC1CN(C(=O)CCCS(C)(=O)=O)C1 1398672864 HLNZOJNQGJXPPL-SECBINFHSA-N 301.368 -0.702 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CCCN(C(=O)CCS(C)(=O)=O)C1 1407396203 VEJUUTMJVTUPAB-QWRGUYRKSA-N 315.395 -0.312 30 20 DBED C[C@@H](C#N)C(=O)NC1CN(C(=O)c2ccoc2CC(N)=O)C1 1416045777 HWOIVEWBFJSGST-QMMMGPOBSA-N 304.306 -0.592 30 20 DBED C[C@H](CN(C)C(=O)COCc1nncn1C)NC(=O)[C@H](C)C#N 1427696984 NRDOYCGFUOSJRH-GHMZBOCLSA-N 322.369 -0.546 30 20 DBED CCN(CCNC(=O)c1cc(C#N)c[nH]1)C(=O)[C@@H]1COC(=O)N1 1431612852 YNDRPYBFZPASKV-NSHDSACASA-N 319.321 -0.427 30 20 DBED CCN1CCO[C@H](C(=O)NCCN(C(=O)[C@H](C)C#N)C2CC2)C1 1431885980 LUBALVXAWHCYSR-OCCSQVGLSA-N 322.409 -0.026 30 20 DBED CC[C@@H](NC(C)=O)C(=O)N1CC(NC(=O)c2cc(C#N)c[nH]2)C1 1432208570 PHXQUNGVTCNZQV-GFCCVEGCSA-N 317.349 -0.258 30 20 DBED CC(=O)N[C@H](C)C(=O)NCC1CN(C(=O)c2ccc(C#N)[nH]2)C1 1432368168 CZJQTGQUPDUFFE-SECBINFHSA-N 317.349 -0.401 30 20 DBED CN(CCNC(=O)CO[C@@H]1CCOC1)c1ccnc(C#N)n1 1439247874 VYTJYYXREKFXQY-LLVKDONJSA-N 305.338 -0.294 30 20 DBED C[C@H]1C[C@@H](CO)CN(C(=O)CCn2cc(C#N)c(O)nc2=O)C1 1451829393 NBTLCWDJFVPEHY-WDEREUQCSA-N 320.349 -0.312 30 20 DBED Cc1nn[nH]c1C(=O)N(C)CCNC(=O)c1cc(C#N)c[nH]1 1455193644 QKBSLYVAQKZKEH-UHFFFAOYSA-N 301.310 -0.185 30 20 DBED Cn1cc(C(=O)NCC2(NC(=O)c3c[nH]c(C#N)c3)CC2)nn1 1458925776 KJCPYOSVCBMMDP-UHFFFAOYSA-N 313.321 -0.293 30 20 DBED C=C(Cl)CN[C@@H](C)CNC(=O)Cn1[nH]cc2c(=O)ncnc1-2 1491615088 SUTAYBUJPGFCDU-VIFPVBQESA-N 324.772 -0.082 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H]1CNC(=O)CCn1cncn1 1529163771 SLSNAHZAXQESDR-RYUDHWBXSA-N 304.354 -0.065 30 20 DBED C[C@@]1(C#N)CN(S(=O)(=O)c2n[nH]cc2C(=O)O)CCO1 1573590834 XLSLALVGPQKAOT-SNVBAGLBSA-N 300.296 -0.589 30 20 DBED CC[C@@H](CNC(=O)NCCN/C(O)=C1/N=CC=CC1=O)C(=O)O 1573798448 WFDUEPYJBZUUNX-ASGQQMQCSA-N 324.337 -0.077 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](CNCC(=O)NCc2cnn[nH]2)C1 1575176059 DJQTVOKAWZNBFO-QWRGUYRKSA-N 319.369 -0.981 30 20 DBED CS(=O)(=O)CC1(NC(=O)[C@@H](N)CCCCC#N)COC1 1579337338 RUXVEDLNVJNYMO-JTQLQIEISA-N 303.384 -0.673 30 20 DBED C#CC[C@H](CCOC)NC(=O)[C@@H]1CCCN(CC(=O)O)C1=O 1588389380 UCSXIOHJARZMOB-NEPJUHHUSA-N 310.350 -0.146 30 20 DBED C[C@](Cn1cccn1)(NS(=O)(=O)CC1(C#N)CC1)C(=O)O 1592925949 LRBZLEWZWOLXLY-LLVKDONJSA-N 312.351 -0.050 30 20 DBED COC(=O)c1ccc(N2CCN(CC(=O)O)CC2)c(C#N)n1 1598982358 GISNSQKUQMPXPY-UHFFFAOYSA-N 304.306 -0.054 30 20 DBED Cc1ccc(NC(=O)C(=O)NCC(=O)NCC#N)c(C(=O)O)c1 1600442670 LMPQTPCTJQVXLZ-UHFFFAOYSA-N 318.289 -0.612 30 20 DBED C=CCn1c(C[S@](C)=O)nnc1N1CCO[C@@H](C(=O)O)C1 1602935177 AKJUPRCHRAGAAK-BTKVJGODSA-N 314.367 -0.368 30 20 DBED C[C@H](C#N)CN(C)C(=O)NCCn1cnc(-c2nn[nH]n2)n1 1602982986 CZPVDZYFYDZKTL-MRVPVSSYSA-N 304.318 -0.741 30 20 DBED COCC(=O)NCCC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 1647085424 KUCXEAVLNZMIMM-ZDUSSCGKSA-N 310.398 -0.169 30 20 DBED C#CCNC(=O)CN[C@@H](CNC(=O)C1CCC(O)CC1)C1CC1 1752458888 OGXOTQBJAVHKRH-NRXISQOPSA-N 321.421 -0.229 30 20 DBED Cc1cnc(C(=O)N[C@H]2C[C@@H](NCC(=O)NCC#N)C2)cn1 1752712233 KANFNWOTBHXUKZ-PHIMTYICSA-N 302.338 -0.725 30 20 DBED C#CCCCC(=O)NC1CN(Cc2nnc3n2CCOC3)C1 1753375698 RLTHBQLQNUOBQG-UHFFFAOYSA-N 303.366 -0.088 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)[C@@H]1CCN(Cc2cnnn2C)C1 1753438450 ZKNHHVCTPURPQJ-QWHCGFSZSA-N 305.382 -0.114 30 20 DBED C=CCNC(=O)CN1CC[C@H](N(CC)C(=O)c2ncn(C)n2)C1 1753454681 AXCJDIYTWNYMFV-LBPRGKRZSA-N 320.397 -0.346 30 20 DBED C#CCN1CCO[C@H](CNC(=O)[C@@H](NC(N)=O)C(C)(C)C)C1 1753655625 DEECIKZKXMXOJI-VXGBXAGGSA-N 310.398 -0.480 30 20 DBED COCC#CCNC[C@H](CC(C)C)NC(=O)CS(C)(=O)=O 1753734323 YVBODDRAMZBKLG-ZDUSSCGKSA-N 318.439 -0.199 30 20 DBED C=CCOCCN1C[C@H]2C[C@H]1[C@H]2NC(=O)CN1CCOCC1 1754424142 RDNPLNMOLZPVRG-YCPHGPKFSA-N 309.410 -0.290 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)c2[nH]ccc2C)CCO1 1755000408 RUPQHLJWJZFISL-CYBMUJFWSA-N 318.377 -0.497 30 20 DBED CCC(=O)N1CC[C@@H](C(=O)N2CCO[C@@H](CNCC#N)C2)C1 1755011925 DSMZQOSJIBOYMZ-OLZOCXBDSA-N 308.382 -0.415 30 20 DBED Cn1cc(CC(=O)NC[C@H]2CCC3(CN(CC#N)C3)O2)cn1 1755053197 PTTCWRNCPBHRIG-CYBMUJFWSA-N 303.366 -0.164 30 20 DBED C#CCNC(=O)CN(C)[C@@H](C)CNC(=O)c1cnc(OC)nc1 1755321868 VRUXGZBUZIWLKR-NSHDSACASA-N 319.365 -0.715 30 20 DBED Cc1nnc([C@H](C)N[C@H](CO)CNC(=O)CSCC#N)o1 1755624230 OLNPNMZDMFIRLF-WPRPVWTQSA-N 313.383 -0.238 30 20 DBED COCC(=O)N(C)CC(=O)N1C[C@@H]2CCC[C@@H](NCC#N)[C@H]2C1 1755708285 WRAYFUQXIPPYFT-MELADBBJSA-N 322.409 -0.169 30 20 DBED CC(=O)N(CC(=O)N(C)C[C@H](O)CNCC#N)c1ccccc1 1755796644 SOUDUZFPBUHFDZ-OAHLLOKOSA-N 318.377 -0.028 30 20 DBED C#CCOCCC(=O)NC[C@H](C)N(C)C(=O)[C@@H](C)n1cncn1 1756028099 XYGQLFMGZSSFDA-QWHCGFSZSA-N 321.381 -0.158 30 20 DBED C=CCOCC(=O)NC1(CCO)CN(C(=O)CC(C)(C)O)C1 1756078800 YWMGZHBHSASRQI-UHFFFAOYSA-N 314.382 -0.570 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@H](CO)NC(=O)Cc1[nH]cnc1C 1756516227 YAXSWLNDSQLVLK-XHDPSFHLSA-N 324.381 -0.819 30 20 DBED C=C(C)C(C)(C)C(=O)NC[C@H](CO)NC(=O)Cc1n[nH]c(C)n1 1756541562 YVKNXAKLKNKLML-LLVKDONJSA-N 323.397 -0.149 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)C[C@H](O)CNC(=O)C(F)F 1756667902 DEHRKFZFMOZGON-MNOVXSKESA-N 317.336 -0.715 30 20 DBED C#Cc1cncc(C(=O)NC[C@@H](O)CN(C)C(=O)[C@H](C)C#N)c1 1756676668 UILSIFWDJLPLRZ-BXUZGUMPSA-N 314.345 -0.228 30 20 DBED C=CCCOCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn[nH]c2)C1 1756980872 JACWDPQIVSELBH-VXGBXAGGSA-N 308.338 -0.696 30 20 DBED C#CCOCCC(=O)N1C[C@@H](O)[C@H](NC(=O)CC(F)(F)F)C1 1756983314 HMYWMBHSAWPAQR-NXEZZACHSA-N 322.283 -0.333 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(C(=O)c2ncoc2C)C[C@H]1O 1757009342 WBVQKDCEWWIRFZ-VXGBXAGGSA-N 323.349 -0.123 30 20 DBED N#CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCOC3)C[C@@H]21 1786369475 DHRSUBLAINOHNE-XUXIUFHCSA-N 321.377 -0.084 30 20 DBED N#CC1(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CNC(=N)N)CC1 1795980084 ILXIVYXBGMSSJE-JGPRNRPPSA-N 318.381 -0.589 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)N(C)C(C)=O)C2 1800452327 XKPQDSUSAPUBMM-IKVITTDRSA-N 321.377 -0.924 30 20 DBED CC(C)N1C(=O)C(=O)N(CC(=O)N[C@@](C)(C#N)C2CC2)C1=O 5365484 KBGXBZREFYVZDF-AWEZNQCLSA-N 306.322 -0.006 30 20 DBED CN1CCN(c2ncc(CN3CCN(CC#N)CC3)cn2)CC1 92936355 NPIJDRZEARTLIB-UHFFFAOYSA-N 315.425 -0.130 30 20 DBED C#CCCCCNC(=O)N1CCN(CCS(N)(=O)=O)CC1 192521125 HCFLZLXRFJBWHO-UHFFFAOYSA-N 316.427 -0.594 30 20 DBED C=CCOC[C@H](NC(=O)c1c(OC)ncnc1OC)C(=O)O 262918124 FYKRATWAHNLNPI-QMMMGPOBSA-N 311.294 -0.121 30 20 DBED O=C(C#Cc1ccc2c(c1)OCO2)NCCN1CCNC(=O)C1 272640066 CMGVAJBNTZQOHL-UHFFFAOYSA-N 315.329 -0.685 30 20 DBED C#CCOc1ccc(F)cc1NC(=O)C(=O)NC[C@@H](O)CO 275605947 GECQKGIITQUKPR-SNVBAGLBSA-N 310.281 -0.754 30 20 DBED C[C@@H]1CN(C(=O)CNC(=O)c2ccc(C#N)cc2)CC(=O)N1 296335117 UDLPVSWEIBLVTH-SNVBAGLBSA-N 300.318 -0.365 30 20 DBED CN(CCC#N)C(=O)CCN(C)[C@@H]1CCN(S(C)(=O)=O)C1 315023580 FVXOHLXJDGHXHQ-GFCCVEGCSA-N 316.427 -0.286 30 20 DBED C[C@@H](CNS(=O)(=O)N(C)[C@@H](C)CC#N)N1CCN(C)CC1 330424980 UWVCVHCQRRIINC-STQMWFEESA-N 317.459 -0.309 30 20 DBED CCN1CCC[C@@H](CN/C(O)=N/CCS(=O)(=O)NC)C1 331264860 OYJVPAUHVPUISF-NSHDSACASA-N 306.432 -0.229 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CCCN([C@@H](C)CO)CC1 337172950 GVUPQUZFXKYBEH-ZDUSSCGKSA-N 318.443 -0.145 30 20 DBED CNC(=O)NCCC(=O)N(CCC#N)CCN1CCOCC1 339585921 CZHUPZOLQPPTMN-UHFFFAOYSA-N 311.386 -0.620 30 20 DBED N#Cc1ccc(N2CC[C@H](C(=O)N[C@H](CO)C(N)=O)C2)c(F)c1 344670970 SSOZKDUODQPLMD-CMPLNLGQSA-N 320.324 -0.514 30 20 DBED N#Cc1csc(CN2CCN(C(=O)Cn3cnnn3)CC2)c1 349038748 SUEKOPCSNXTULD-UHFFFAOYSA-N 317.378 -0.049 30 20 DBED COC(=O)CN(CC#N)C(=O)CNC(=O)c1ccccc1OC 353426523 IQNKCSRJLMSZSH-UHFFFAOYSA-N 319.317 -0.050 30 20 DBED C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ncn(C)n2)cc1 356437944 AVKACVXNAMGEBM-UHFFFAOYSA-N 321.362 0.532 30 20 DBED N#Cc1c(F)cccc1-n1ccc(NC(=O)Cn2cnnn2)n1 358229986 ZSXDLVXDDMTWQS-UHFFFAOYSA-N 312.268 0.508 30 20 DBED C=CCOC[C@@H](NC(=O)[C@H](C)CS(C)(=O)=O)C(=O)OC 360739823 TWRWHYWYVFLVQI-NXEZZACHSA-N 307.368 -0.473 30 20 DBED CS(=O)(=O)N1CCC[C@H](NC(=O)N2CCO[C@H](C#N)C2)C1 408096441 BVDGBBPVROMDRU-WDEREUQCSA-N 316.383 -0.656 30 20 DBED COCCNC(=O)CN1CCN(c2ncc(C#N)cc2F)CC1 413032850 LIGVOOLASUXVJS-UHFFFAOYSA-N 321.356 -0.023 30 20 DBED C=C(C)CN(CC)C(=O)C(=O)Nc1ncn(CC(=O)OCC)n1 425749078 XONUPFYCQBYOJR-UHFFFAOYSA-N 323.353 0.204 30 20 DBED N#Cc1ncn(CC(=O)N2C[C@H](C(N)=O)Cc3ccccc32)n1 426452526 WQKIMQZIFYAYQM-LLVKDONJSA-N 310.317 -0.159 30 20 DBED C=CCN(C(=O)[C@@H]1NC(=O)O[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 496130357 SPJYLBQNYIBKNK-OPRDCNLKSA-N 302.352 -0.315 30 20 DBED N#CCCN1CCN(C(=O)C(=O)N(CCO)CC(F)F)CC1 601474811 UFBLILAHWSRHHC-UHFFFAOYSA-N 318.324 -0.870 30 20 DBED Cn1c(N2CCO[C@H](C(F)(F)F)C2)c(C#N)c(=O)n(C)c1=O 610077029 KPHITDXRXVODOU-QMMMGPOBSA-N 318.255 -0.277 30 20 DBED CN(CCC#N)S(=O)(=O)N1CCO[C@H]([C@H]2CCCO2)C1 610701794 WYJPGKMEPYDWKZ-NEPJUHHUSA-N 303.384 -0.044 30 20 DBED C=CCNC(=O)CNC(=O)C(=O)Nc1cc(C)[nH]c1C(=O)OC 612728645 VPCNENCRBGTETL-UHFFFAOYSA-N 322.321 -0.533 30 20 DBED COCCCS(=O)(=O)NCC(=O)N1CC[C@](F)(C#N)C1 615583523 UEHBFIFJHUYYGK-NSHDSACASA-N 307.347 -0.594 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H](C)C[C@@H](C)N)C1=O 647597074 KJGZEITUQSLWTD-UTUOFQBUSA-N 310.398 -0.526 30 20 DBED C=CCCS(=O)(=O)N1CCN(S(=O)(=O)N(C)C)CC1 675753818 HQKDKKYKUHXVFP-UHFFFAOYSA-N 311.429 -0.684 30 20 DBED COC(=O)[C@@H]1C[C@H]1C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[nH]1 736906998 BHUOCILIWQSNQW-RFZPGFLSSA-N 302.254 -0.791 30 20 DBED CC(=O)N[C@H]1CCCN(C(=O)Cn2ccc(C=NO)nc2=O)C1 762773060 PFOOBTXMGMJTCU-LBPRGKRZSA-N 321.337 -0.822 30 20 DBED C#CCCCS(=O)(=O)NCCNS(=O)(=O)CCCC#C 791416724 DXWYBHKGTSQXGP-UHFFFAOYSA-N 320.436 -0.348 30 20 DBED C#C[C@@H](NC(=O)C(=O)NCC1(N(C)C)CCC1)[C@H]1CCCO1 807026848 FGLZZVGHGIAKFE-CHWSQXEVSA-N 307.394 -0.116 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCC2(C1)OCCO2)[C@H]1CCCO1 809309176 LYIBAHQHNKOGJP-NWDGAFQWSA-N 308.334 -0.741 30 20 DBED CC#CCS(=O)(=O)NC(=O)c1cn(CC2(C)COC2)nn1 810773154 UJIIOXHWVULTSJ-UHFFFAOYSA-N 312.351 -0.603 30 20 DBED O=C1N[C@H](C(F)(F)F)CC[C@@H]1C(=O)N[C@@H]1CCCN(O)C1=O 820471290 RMTNBLRSAAHKCC-PRJMDXOYSA-N 323.271 -0.060 30 20 DBED C=CCNC(=O)CNC(=O)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 823920019 WTPGTQDZZUTILP-LBPRGKRZSA-N 316.321 -0.682 30 20 DBED N#Cc1cnn2c(O)cc(Cn3ccnc3-c3nn[nH]n3)nc12 826387924 ZEFNMZUOQGKTTP-UHFFFAOYSA-N 308.265 -0.269 30 20 DBED CNC(=O)[C@H](O)CNC[C@H](O)COc1ccc(CC#N)cc1 843111489 SSKRLRYDHUTHAE-GXTWGEPZSA-N 307.350 -0.811 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCCN(C=O)CC1 848459139 ZGSHFGZYJWIZBG-GFCCVEGCSA-N 302.400 -0.123 30 20 DBED C#CCN1CCN(C(=O)Cn2ncc(NC)c(Cl)c2=O)CC1 849936273 YQMRNNSQBRZLIX-UHFFFAOYSA-N 323.784 -0.284 30 20 DBED CN(C)C(=O)CNC(=S)NN=C1C(=O)N(C)c2ccccc21 918716773 CGHXJFHKYQEFAV-UHFFFAOYSA-N 319.390 -0.081 30 20 DBED CN(C)C(=O)CNC(=S)NCCCc1[nH]nc(N)c1C#N 918722009 RVHNXTWQVPFBMA-UHFFFAOYSA-N 309.399 -0.652 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CCCCN(C(=O)CC(N)=O)C2)c1 943171894 VOMSNIARZULQQE-LLVKDONJSA-N 317.349 -0.127 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H]1CNC(=O)[C@@H]1CCCN1C(N)=O 944253076 KOXJUSWZPMLGFU-TUAOUCFPSA-N 321.381 -0.204 30 20 DBED C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)CC[C@@H]1NC(=O)C(N)=O 945279312 LPAPLOUDYSCCCG-KCJUWKMLSA-N 303.322 -0.662 30 20 DBED C#CCN1CC[C@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)C[C@@H]1C 947776490 WQDPATFQURJQKQ-QWRGUYRKSA-N 320.349 -0.991 30 20 DBED O=C(NC[C@H]1CCN1C(=O)C#CC1CC1)c1nc2ncccn2n1 951753457 QPYIUZGOLBPRKE-GFCCVEGCSA-N 324.344 -0.132 30 20 DBED CC(=O)N1CC[C@H](C(=O)N(C)C2CN(C(=O)[C@@H](C)C#N)C2)C1 955004498 WIXIZBKVPYMKOS-JQWIXIFHSA-N 306.366 -0.316 30 20 DBED CN1CC[C@H](C(=O)N[C@]2(C)CCN(C(=O)C#CC3CC3)C2)C1=O 957352538 CKMOQXCUMFOIQR-CXAGYDPISA-N 317.389 -0.015 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)C23CCCN(CCC2)C3)C1 958171499 JREDDMNQPMTYJL-CABCVRRESA-N 305.422 -0.096 30 20 DBED C=CCCN1C[C@H](CNC(=O)c2cn(C)c(=O)cn2)[C@@H](O)C1 958272924 NZJXHDQLZDGMNA-AAEUAGOBSA-N 306.366 -0.621 30 20 DBED C#CCN1CCC(C(=O)NC[C@@H]2CN(CCCO)C[C@H]2O)CC1 958724873 USICKYGSEDQUAZ-HZPDHXFCSA-N 323.437 -0.877 30 20 DBED CC#CCN1C[C@H]2[C@H](NC(=O)[C@@H]3CCc4nnc(O)n4C3)[C@H]2C1 960656302 PLFDTJKMHJSTJZ-NMKXLXIOSA-N 315.377 -0.384 30 20 DBED C=C(C)CN1C[C@H]2C(NC(=O)CN3CC(=O)N(C)C3=O)[C@@H]2C1 962287996 NDYNMYFLTHAVPT-GHMZBOCLSA-N 306.366 -0.497 30 20 DBED C=CCCN1C[C@H]2[C@H](NC(=O)CN3C(=O)CN(C)C3=O)[C@H]2C1 962493263 SIDCPWBSAIWBPV-YABSGUDNSA-N 306.366 -0.497 30 20 DBED C[C@@H]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2O)O1 970831180 QQOMQKQJDOTCLO-RUZUBIRVSA-N 306.362 -0.345 30 20 DBED C#CCN1C[C@H]2CC[C@H]1CN2C(=O)[C@@H]1CCc2nnnn2CC1 971845347 YWNNOQRGYSHOKI-HZSPNIEDSA-N 314.393 -0.066 30 20 DBED C=CCN(C)[C@@H]1CCN(C(=O)CCc2nnc(O)nc2O)C1 971852412 AOXBOTQOVAYVDK-SNVBAGLBSA-N 307.354 -0.066 30 20 DBED N#CCN1CCO[C@@]2(CCN(C(=O)CCc3nc[nH]n3)C2)C1 972324937 SVRMWCOWGAXYRT-AWEZNQCLSA-N 304.354 -0.436 30 20 DBED C#CCCN1CCO[C@]2(CCN(C(=O)Cn3cnnc3O)C2)C1 972349271 XWPYPGWJPIESIX-OAHLLOKOSA-N 319.365 -0.690 30 20 DBED C=CCCn1cc(C(=O)N2CC[C@@H](N(C)[C@H](C)C(N)=O)C2)nn1 972516308 LLYONAPBUWGBTF-VXGBXAGGSA-N 320.397 -0.126 30 20 DBED C#CCCN1CCO[C@@]2(CCN(C(=O)c3cnn(C)n3)C2)C1 972598272 CXSFIYLGBNCRIL-HNNXBMFYSA-N 303.366 -0.245 30 20 DBED Cc1nn(CC(=O)N[C@H]2CN(CC#N)CC2(C)C)c(=O)n1C 977546697 UMOBOOITYABWEV-NSHDSACASA-N 306.370 -0.760 30 20 DBED CN(C[C@H]1CCN1C(=O)C#CC1CC1)C(=O)[C@@H]1CCNC1=O 978157113 VIXIOTIFZCDCRN-CHWSQXEVSA-N 303.362 -0.405 30 20 DBED N#Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3nc[nH]n3)C2)[nH]1 983114799 MLYMNZMXYDNBMO-VIFPVBQESA-N 313.321 -0.103 30 20 DBED CN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CCCN(C(=O)CC(N)=O)C1 983997542 KWUHGBDQWVXDFQ-NSHDSACASA-N 317.349 -0.175 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)Cn3ncnn3)C[C@@H]2C1 986150136 DVWXIYAWCZCOQE-TUAOUCFPSA-N 317.353 -0.860 30 20 DBED C#CCN1CC[C@@]2(NC(=O)c3nnc(O)nc3O)CCC[C@H]12 991617031 APQDAJCIFCOCBB-XPTSAGLGSA-N 303.322 -0.357 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN(C(=O)Cc2cnoc2)C1 994753576 JBVFGVYWHLVPKX-AWEZNQCLSA-N 316.361 -0.358 30 20 DBED C[C@H](C#N)C(=O)N1CC(NC(=O)c2cc(C(N)=O)cn2C)C1 996773098 GRHSXNJLKVVEPT-MRVPVSSYSA-N 303.322 -0.776 30 20 DBED C=CCN1CCC([C@@H](C)NC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 997331722 FGNAOYWCMQYSPD-PWSUYJOCSA-N 308.382 -0.013 30 20 DBED N#CCN1CCC(NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)CC1 1002811503 OMWJFTDUMHNVHR-NSHDSACASA-N 316.365 -0.133 30 20 DBED C[C@@H](C#N)C(=O)N1CC([C@@H](C)NC(=O)C2CC(=O)NC(=O)C2)C1 1006419706 FXUZAOAOGZTJDN-DTWKUNHWSA-N 320.349 -0.838 30 20 DBED C=CCn1cc(C(=O)NC2[C@@H]3CN(C(=O)COC)C[C@@H]23)nn1 1013117905 RGUVOGFHYQUAEZ-NXEZZACHSA-N 305.338 -0.703 30 20 DBED CCn1cc(C(=O)NC2[C@@H]3CN(C(=O)[C@@H](C)C#N)C[C@@H]23)nn1 1013701408 XGZSAMORQYCCNR-IVZWLZJFSA-N 302.338 -0.356 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2cnnn2C)C1 1014769708 MEGIVHKOWZGTBY-ZFWWWQNUSA-N 316.409 -0.397 30 20 DBED C=CCn1cccc1C(=O)N(C)C1CC(NC(=O)C(N)=O)C1 1016639940 OYGKNOPIPCUTLN-UHFFFAOYSA-N 304.350 -0.121 30 20 DBED CC(C)n1nccc1C(=O)N[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1O 1023883881 MRTQFOOPTXZXEC-NQBHXWOUSA-N 319.365 -0.075 30 20 DBED C=CCn1cc(C(=O)NC2CN(CCc3ccnn3C)C2)nn1 1031069897 FLNGDGNLOCXPIH-UHFFFAOYSA-N 315.381 -0.146 30 20 DBED CN(C)c1cnc(C(=O)NC[C@H]2CN(CC#N)CCO2)cn1 1035377016 ZNNAIYOWADHIMH-NSHDSACASA-N 304.354 -0.503 30 20 DBED C=C(C)CN1CCO[C@H](CNC(=O)c2ccc(=O)n(C)n2)C1 1035597916 RJACVPYMAQMVIK-GFCCVEGCSA-N 306.366 -0.213 30 20 DBED C=CCN1CC[C@@H]2CN(C(=O)Cn3cnc(C(N)=O)n3)CC[C@H]21 1036720538 WIWCMGWKCWJTCP-VXGBXAGGSA-N 318.381 -0.514 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCN1CC(=O)N(C)C 1038368594 QSJHHLBVRFGJSK-KGLIPLIRSA-N 306.410 -0.637 30 20 DBED C=CCN1CC[C@@H]1CNC(=O)c1ccc(=O)n(CCOC)n1 1038476037 BJDWNENUENDDFN-GFCCVEGCSA-N 306.366 -0.120 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCN1CCN1CCNC1=O 1038714708 TZKZITNMIXNXTI-MCIONIFRSA-N 322.409 -0.207 30 20 DBED C=C(C)CCC(=O)NC[C@]1(O)CCN(C(=O)Cn2cnnn2)C1 1039952158 LZWJNJLGIIKICR-CQSZACIVSA-N 322.369 -0.891 30 20 DBED C=CCCCC(=O)NC[C@@]1(O)CCN(C(=O)c2cnn(C)n2)C1 1040729026 KIFADSCSVDVFCG-HNNXBMFYSA-N 321.381 -0.135 30 20 DBED Cc1c[nH]nc1C(=O)N1CC[C@](O)(CNC(=O)[C@H](C)C#N)C1 1040763228 NYQOBWGSOHKHAO-OTYXRUKQSA-N 305.338 -0.429 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CN(c3nccnc3F)C[C@H]2O)c1 1040962307 WJNPCVVNJNZWFQ-GHMZBOCLSA-N 316.296 -0.205 30 20 DBED CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)c2c[nH]c(C#N)c2)C1 1041627239 MXHCPKUDGGBGHB-SNVBAGLBSA-N 320.349 -0.386 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)COCC2CC2)C1 1042040309 RQCFYEFQZCQPNO-UHFFFAOYSA-N 312.366 -0.695 30 20 DBED O=C(NCC1(O)CN(C(=O)C#CC2CC2)C1)c1cccc(O)n1 1042351860 PRMPBXHRHNRRRD-UHFFFAOYSA-N 315.329 -0.496 30 20 DBED C=C(C)CCC(=O)N1CC(O)(CNC(=O)c2cnn(C)c2N)C1 1042703904 SUOQPXMBVJKXBF-UHFFFAOYSA-N 321.381 -0.338 30 20 DBED C=C(C)CCC(=O)NCC1(O)CN(C(=O)Cc2nonc2C)C1 1043310708 JNXLLMDPNQEFEN-UHFFFAOYSA-N 322.365 -0.034 30 20 DBED C#CCN1CC(N(C)C(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 1043501629 KHRWJHBAYUGZOY-UHFFFAOYSA-N 300.326 -0.917 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)c2onc(C)c2C)C1 1043579132 RUOJPMXHXHXNMM-UHFFFAOYSA-N 323.349 -0.203 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CN(c3cnc(F)cn3)C[C@@H]2O)c[nH]1 1043876681 GBOXVNHEYZNYIL-MNOVXSKESA-N 316.296 -0.205 30 20 DBED C=CC(C)(C)CC(=O)N1CC(O)(CNC(=O)c2cnn(C)n2)C1 1043886564 NUWFDFDJXABQNL-UHFFFAOYSA-N 321.381 -0.280 30 20 DBED Cc1nonc1C(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@@H]1O 1044013761 YMULGMBPNGRWQX-MNOVXSKESA-N 314.305 -0.376 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)c2cn(CC)cn2)C1 1044027038 KLXSCZMWAMJBOZ-UHFFFAOYSA-N 322.365 -0.591 30 20 DBED C=C(Cl)CN1CC(N(C)C(=O)[C@H]2CCS(=O)(=O)N2)C1 1044306909 HENHMUPJGBKAHF-SNVBAGLBSA-N 307.803 -0.427 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)[C@H]2CCNC(=O)C2)C1 1044455659 IDQOQZKQPQRIGE-NSHDSACASA-N 323.393 -0.586 30 20 DBED O=C1CC[C@@H](NC[C@@H]2CCCN2C(=O)C#CC2CC2)C(=O)N1 1045030992 AMPMWPRZPHUJDC-QWHCGFSZSA-N 303.362 -0.214 30 20 DBED C=CCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1045451285 PPJMJMZRDNYUTF-GHMZBOCLSA-N 311.338 -0.303 30 20 DBED CCO[C@H](C(=O)N1CC(O)(CNC(=O)[C@@H](C)C#N)C1)C1CC1 1045551725 LGNQGBMGBCQBDE-JQWIXIFHSA-N 309.366 -0.349 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)[C@@H]2CC23CCOCC3)C1 1045565313 VGTIAZZZLSXPKT-NEPJUHHUSA-N 321.377 -0.348 30 20 DBED N#CCN1CCC2(CC1)CO[C@H](CNC(=O)[C@@H]1COCCO1)C2 1045660272 INGUKPHPULZZGL-KBPBESRZSA-N 323.393 -0.087 30 20 DBED C#CCN1CC[C@H](N2CCN(C(=O)[C@H]3CCN(C)C3=O)CC2)C1 1046055102 NWNJAGHMXYYCLT-GJZGRUSLSA-N 318.421 -0.684 30 20 DBED CN1CC[C@@H](C(=O)N2CCN([C@H]3CCN(CC#N)C3)CC2)C1=O 1046056097 UWAOYUODFUBOGZ-UONOGXRCSA-N 319.409 -0.793 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)CCCn2cncn2)C1 1046552358 DDLMWUUODRRJOV-UHFFFAOYSA-N 321.381 -0.286 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)N(CC(N)=O)C3)[nH]1 1047055337 SIEVDFSGWUGWQC-WCQGTBRESA-N 301.350 -0.046 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3cnn(C)c3C2)C1 1047500951 JVGVCULIPNFFTG-KCXAZCMYSA-N 316.405 -0.338 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cc(=O)n(C)o2)C1 1048738291 XYRTXGLMJIUTFA-QWRGUYRKSA-N 323.349 -0.412 30 20 DBED C=CCCOCC(=O)N(C)[C@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1O 1049007351 GVKZKYMBNJEMOK-AVGNSLFASA-N 309.366 -0.231 30 20 DBED C#CCCN1CC[C@H]2[C@H]1CCCN2C(=O)C[C@@H]1NC(=O)NC1=O 1049524841 BPTUEAVRWGZHTK-XQQFMLRXSA-N 318.377 -0.327 30 20 DBED Cn1c(O)ncc(C(=O)N2CCC[C@@H]3[C@@H]2CCN3CC#N)c1=O 1049633136 GTNSLMLITMBLAN-NEPJUHHUSA-N 317.349 -0.312 30 20 DBED Cc1nn(CC(=O)N2CCC[C@H]3[C@H]2CCN3CC#N)c(=O)n1C 1049870797 NWNCJNIDVUXHHV-QWHCGFSZSA-N 318.381 -0.521 30 20 DBED CC#CCN1C[C@@H]2CCCN(C(=O)C3CC(=O)NC(=O)C3)[C@@H]2C1 1050161377 UYSMOKLTXQVZLE-GXTWGEPZSA-N 317.389 -0.015 30 20 DBED C[C@@H]1[C@@H](NC(=O)Cn2cncn2)CCN1c1cnc(C#N)cn1 1050288108 FGCLTIYHDJZOHY-PWSUYJOCSA-N 312.337 -0.277 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)CN1CCCNC1=O)C2 1050580705 RMDFEYQVAGUCKO-UHFFFAOYSA-N 304.394 -0.041 30 20 DBED C[C@@H](C(N)=O)N1CCN([C@H]2CCN(C(=O)C#CC3CC3)C2)CC1 1052024722 KYPGSWDPCVCDSG-ZFWWWQNUSA-N 318.421 -0.508 30 20 DBED C#CCCN1CCN([C@H]2CCN(C(=O)C(C)(C)C(N)=O)C2)CC1 1052042144 ZCVQVAPYOOYBEB-AWEZNQCLSA-N 320.437 -0.260 30 20 DBED CNC(=O)CC(=O)N1C[C@@H](C)[C@@H](CNC(=O)C#CC(C)C)C1 1052434100 CIIPRPQQDLBUDX-OLZOCXBDSA-N 307.394 -0.007 30 20 DBED CC(=O)NCC(=O)NC[C@H]1CN(C(=O)C#CC(C)C)C[C@H]1C 1052529849 NMOKZFZCUSJALY-OCCSQVGLSA-N 307.394 -0.007 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)[C@H](C)[C@H]1CCC(=O)N1)CCO2 1053442645 NETOLOLYPWRFCL-ZIAGYGMSSA-N 319.405 -0.162 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)CN1C(=O)CCC1=O)CCO2 1053528117 FDPUGRMXCZMVPB-UHFFFAOYSA-N 319.361 -0.928 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H]2CN(C(=O)CCOC)C[C@@H]2C1 1055116927 VLUCKRJKKSQSPA-BETUJISGSA-N 321.377 -0.921 30 20 DBED C=CCOCC(=O)N1C[C@@H]2CN(C(=O)CC(=O)N(C)C)C[C@@H]2C1 1055251202 XIWHSBAAYJXGJZ-BETUJISGSA-N 323.393 -0.416 30 20 DBED N#Cc1nccc(N2CCN(C(=O)C3CS(=O)(=O)C3)CC2)n1 1055914193 PSJICLNHLUEMGT-UHFFFAOYSA-N 321.362 -0.959 30 20 DBED CN1CCC[C@H]1C(=O)N1CC[C@@H](N=c2cc[nH]c(C#N)n2)C1 1056585756 MTXWIZKRRAKORC-NEPJUHHUSA-N 300.366 -0.123 30 20 DBED CN(c1ccnc(C#N)n1)[C@H]1CCN(C(=O)Cc2nc[nH]n2)C1 1056964940 YDLKHSAXOAZUEE-JTQLQIEISA-N 312.337 -0.254 30 20 DBED C[C@@H](C#N)C(=O)N1CCCN(c2ccc3nnnn3n2)CC1 1057108017 WEYQNMYBPMUHOL-JTQLQIEISA-N 300.326 -0.282 30 20 DBED CC(C)(O)CC(=O)NCCN(CCO)C(=O)c1ccc(C#N)[nH]1 1057366947 KKZHLWFUPKENLH-UHFFFAOYSA-N 322.365 -0.402 30 20 DBED CCC(=O)NCC(=O)NCCN(CCO)C(=O)C#CC(C)C 1057516959 FCLINFJGPGOJCX-UHFFFAOYSA-N 311.382 -0.891 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)[C@@H]1CCC(=O)NC1 1057524305 BHMCYOXYKLYSLA-CYBMUJFWSA-N 323.393 -0.891 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)Cc1ccn(C)n1 1057549185 XFDGICHOANSQGM-NSHDSACASA-N 307.354 -0.941 30 20 DBED C#CCO[C@H](C)C(=O)NCCN(CCO)C(=O)c1ccn(C)n1 1057639691 KSPIATPAZBJUTM-GFCCVEGCSA-N 322.365 -0.991 30 20 DBED C[C@@]1(C(=O)N[C@H]2C[C@@H](Nc3cncc(C#N)n3)C2)CNC(=O)C1 1059773622 SDGSODSEPFFSFP-WMFXKJRFSA-N 314.349 -0.066 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H]1CC[C@@H]2CN(C(=O)CC(N)=O)C[C@H]21 1060522664 BWNDKLUAEQYZBW-MPKXVKKWSA-N 313.361 -0.101 30 20 DBED C=CCOCC(=O)N1CCOC[C@H]1CNC(=O)Cc1ncc[nH]1 1061816405 NZTDDXUNQMWGCX-GFCCVEGCSA-N 322.365 -0.502 30 20 DBED Cn1ncc(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(C#N)nn2)n1 1062508362 CTHXNFWGLHPULF-QWRGUYRKSA-N 310.321 -0.420 30 20 DBED CS(=O)(=O)CC(=O)N1CCC[C@@H]1CN=c1cc[nH]c(C#N)n1 1063447823 GZEWUJVBGOSLGZ-SNVBAGLBSA-N 323.378 -0.782 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCO[C@H](CNC(=O)c2ccon2)C1 1065096328 DBAACRJNSPNIBS-IAQYHMDHSA-N 323.349 -0.041 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)CC(=O)N(C)C)CCO1 1065165799 VLLPWFAGTBKDOW-CYBMUJFWSA-N 323.393 -0.388 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)[C@H]2CCC(=O)NC2)CCO1 1065323076 CETKNMHOHSRAQP-STQMWFEESA-N 323.393 -0.178 30 20 DBED N#Cc1nccc(N2CCOC[C@@H]2CNC(=O)[C@H]2CCCO2)n1 1066457947 WOHHYVUUVBZKAI-NWDGAFQWSA-N 317.349 -0.151 30 20 DBED N#Cc1cccnc1N1C[C@@H](O)[C@@H](CNC(=O)c2cc[nH]n2)C1 1067652862 ZJDXGOMFEXIDIL-WCQYABFASA-N 312.333 -0.097 30 20 DBED Cn1cc(C(=O)NC[C@H]2[C@@H]3CN(c4nccnc4C#N)C[C@H]23)nn1 1068169463 NHPFDFWTBPAXFS-RTCCRHLQSA-N 324.348 -0.411 30 20 DBED CC#CCCCC(=O)N1CCOC2(C1)CN(C(=O)CC(N)=O)C2 1068432696 ASACTDLMMYTIDJ-UHFFFAOYSA-N 321.377 -0.505 30 20 DBED CCC1(NC(=O)[C@H](C)C#N)CCN(C(=O)c2nnn(C)n2)CC1 1069540145 AQLWTCONSHHHFR-SNVBAGLBSA-N 319.369 -0.129 30 20 DBED CN(C(=O)[C@H]1CCNC1=O)C1CC(Nc2cncc(C#N)n2)C1 1069787496 MTMRIEWZMMVPEW-NHNAUAITSA-N 314.349 -0.114 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)[C@@H]2CCOC2)CCOCC1 1070231090 MQALSZTVZGOBRG-NWDGAFQWSA-N 309.366 -0.036 30 20 DBED C=CCN1CCOC[C@@H]1c1n[nH]c(CNC(=O)c2cnn[nH]2)n1 1070586829 SAOJYURZWWESJP-SNVBAGLBSA-N 318.341 -0.588 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H](C)[C@H](NC(=O)CCOCC)C1 1071936733 SPCLAUGOXUWUOU-QWHCGFSZSA-N 323.393 -0.484 30 20 DBED CCCOCC(=O)N1CCN(C2CN(C(=O)[C@@H](C)C#N)C2)CC1 1073547038 YUUVCNDLBQWCBU-ZDUSSCGKSA-N 322.409 -0.072 30 20 DBED CNC(=O)NCC(=O)N[C@H]1CCN(C(=O)C#CC2CC2)C[C@H]1C 1074011563 UDSKAVKDKUZMJH-YPMHNXCESA-N 320.393 -0.318 30 20 DBED C=CCCC(=O)N1CCC(O)(CNC(=O)Cn2nccn2)CC1 1074511471 JPJZZKJZSQLCNM-UHFFFAOYSA-N 321.381 -0.286 30 20 DBED CC(C)C#CC(=O)N1CC[C@H](NC(=O)CNC(N)=O)C[C@@H]1C 1074818544 ILFGAZGZUBRFGH-RYUDHWBXSA-N 308.382 -0.190 30 20 DBED C#CCOCCC(=O)NCC[C@H](C)NC(=O)[C@@H](C)CC(N)=O 1076507427 GLZDTHPIPBGTBK-RYUDHWBXSA-N 311.382 -0.451 30 20 DBED C[C@@H](CCNC(=O)[C@@H](C)C#N)NC(=O)CN1CCOCC1=O 1078134627 DSWDEBNHVPRAHL-QWRGUYRKSA-N 310.354 -0.984 30 20 DBED C=C(C)CCN1C[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)[C@H](C)C1 1080525929 STGKLFGGDDOSKJ-GRYCIOLGSA-N 308.382 -0.013 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@H](CNC(=O)Cc2cc[nH]n2)C1 1081369451 XJCZCMMQPYJCAM-YPMHNXCESA-N 306.366 -0.146 30 20 DBED Cc1cc(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C#CC(C)C)C2)n[nH]1 1081464274 XTLUIOTWCAPMKD-GXTWGEPZSA-N 318.377 -0.073 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(C(=O)Cc2ccon2)C[C@H]1O 1081471887 SVPXDDPNBMYRCT-TZMCWYRMSA-N 317.345 -0.434 30 20 DBED CC#CCN1C[C@@H](NC(=O)c2ncc(OC)cn2)[C@H](OC)C1 1081926197 ULVURFRRRSYVTJ-CHWSQXEVSA-N 304.350 -0.063 30 20 DBED C[C@@H]1CN(C(=O)[C@H]2CCc3nnn(C)c3C2)C[C@H]1NCC#N 1082707734 AKFPRKHFDOHQFI-NTZNESFSSA-N 302.382 -0.120 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CN(C[C@H]3CCOC3)C[C@@H]2O)[nH]1 1083413354 KPYVCCHHBWNIHA-HONMWMINSA-N 304.350 -0.302 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)Cc2ccccc2C(N)=O)C1 1083691823 IZODFEBZBOKJHO-OLZOCXBDSA-N 302.334 -0.987 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN([C@@H](CC)C(N)=O)C[C@@H]2O)cn1 1083969045 RDQOPAQWPNKFIY-RDBSUJKOSA-N 316.361 -0.898 30 20 DBED C=C(C)CN[C@H]1C[C@@H](CNC(=O)c2cn(CC(N)=O)nn2)C1 1086278846 RRFQKEQXDWPMNZ-PHIMTYICSA-N 306.370 -0.563 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2C[C@H](N[C@@H]3CCNC3=O)C2)nn1 1086499809 YLINCBNDXCKQND-IJLUTSLNSA-N 318.381 -0.549 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CCN(Cc3cnon3)C[C@H]2O)[nH]1 1090204989 YDKQRZWGEAMILL-DGCLKSJQSA-N 316.321 -0.365 30 20 DBED N#CCN1CC[C@H](NC(=O)Cc2cn3ccccc3n2)[C@H](O)C1 1090359666 DBCAPNWLXKUMRK-UONOGXRCSA-N 313.361 -0.048 30 20 DBED COc1cc(C)nc(N2C[C@@H](O)[C@H](NC(=O)[C@H](C)C#N)C2)n1 1090391746 LJXBPQSZQFLCRU-FBIMIBRVSA-N 305.338 -0.381 30 20 DBED C#CCN1CC[C@H](NC(=O)Cc2cc(CC)nn2C)[C@H](O)C1 1090445085 MDYMPNHZPBAAJY-LSDHHAIUSA-N 304.394 -0.290 30 20 DBED C=C(Cl)CN1CC[C@H](NC(=O)c2c[nH]c(=O)cn2)[C@H](O)C1 1090527559 ZKDBCCNRARKZKF-GXSJLCMTSA-N 312.757 -0.313 30 20 DBED Cc1csc(=O)n1CC(=O)N[C@@H]1CCN(CC#N)C[C@@H]1O 1090793639 GSDYWZAOBLTQGM-MNOVXSKESA-N 310.379 -0.707 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2ncc3n2CCCC3)[C@@H](O)C1 1090828940 VDGWRKUJNUSLIH-OLZOCXBDSA-N 303.366 -0.092 30 20 DBED CCc1nc(C#N)cc(N[C@H]2C[C@H](CNC(=O)C(N)=O)C2)n1 1091512269 JAXGRJKZRVKRFT-KYZUINATSA-N 302.338 -0.297 30 20 DBED COCCC(=O)N[C@@H]1CCN(c2nccnc2C#N)C[C@@H]1O 1092131770 KIIZJIYKVPQCNF-PWSUYJOCSA-N 305.338 -0.559 30 20 DBED C#CCO[C@H](C)C(=O)N1CCN(c2nccn3nnnc23)CC1 1093179338 ZIAFAMKKZBRHBG-LLVKDONJSA-N 315.337 -0.794 30 20 DBED C=CCO[C@H](C)C(=O)NCCN=c1cc[nH]c(C(=O)OC)n1 1093693924 SKDDWJFSSYSRFR-SNVBAGLBSA-N 308.338 -0.196 30 20 DBED C[C@@]1(C(=O)NCCNc2ccc(C#N)nn2)CCCS1(=O)=O 1093721404 NSCDCUNCBHGBFV-ZDUSSCGKSA-N 323.378 -0.156 30 20 DBED C[C@@]1(C(=O)NCCNc2ccc(C#N)nn2)CCNC(=O)C1 1094233680 SAWZIAKCFDKRJB-CQSZACIVSA-N 302.338 -0.207 30 20 DBED C=CCCN1CC(N2C[C@H](NC(=O)Cn3cccn3)CC2=O)C1 1094705131 IRIOLZFYIUQBNV-CYBMUJFWSA-N 317.393 -0.140 30 20 DBED CN1C[C@H](C(=O)NCCCNc2ccc(C#N)nn2)CC1=O 1094845583 FNECTYQRWKKGOB-SNVBAGLBSA-N 302.338 -0.255 30 20 DBED C[C@H](CNC(=O)C1CC(=O)NC(=O)C1)Nc1ccc(C#N)cn1 1097937574 ZJTVYSLRSZODGX-SECBINFHSA-N 315.333 -0.077 30 20 DBED C[C@H](CNC(=O)[C@@]1(C)CNC(=O)C1)Nc1nccnc1C#N 1098153377 QPTBFCOKHQXJCY-YMTOWFKASA-N 302.338 -0.209 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)[C@H]1C[C@H]1C(N)=O)C[C@@H](C)O2 1098639486 XPPONSKSWQKWQX-MCIONIFRSA-N 319.405 -0.177 30 20 DBED C=CCCN1CC[C@H](NC(=O)CCS(=O)(=O)NC)[C@@H](O)C1 1099832606 JWGYSJGYNXUSOL-RYUDHWBXSA-N 319.427 -0.947 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)CN(C)C(=O)COC)[C@H](O)C1 1099863635 NIJONWSPFISIHG-QWHCGFSZSA-N 313.398 -0.781 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2cnn(CCOCC)c2)[C@H](O)C1 1100050996 QHCLYYMWARYKNE-HUUCEWRRSA-N 320.393 -0.282 30 20 DBED CCOCCOCCCC(=O)N[C@@H]1CCN(CC#N)C[C@@H]1O 1100076162 HKJQPJULQYOSPO-KGLIPLIRSA-N 313.398 -0.105 30 20 DBED CN(CCNc1ncccc1C#N)C(=O)Cn1cnnc1O 1101552025 RIQIXGYCSXGQBA-UHFFFAOYSA-N 301.310 -0.179 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)CCCn1ccnn1 1101816739 YYDORYVKGKXAMC-UHFFFAOYSA-N 314.353 -0.288 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1CNC(=O)Cc1cnc[nH]1 1102406216 HRYGBGSYIPOWFN-VXGBXAGGSA-N 318.381 -0.724 30 20 DBED CC[C@H](CNC(=O)[C@H]1COC(=O)N1)N=c1cc[nH]c(C#N)n1 1103052417 GRRNQUXILIGHDE-RKDXNWHRSA-N 304.310 -0.815 30 20 DBED CC[C@H](CNC(=O)c1cn(C)nn1)N=c1cc[nH]c(C#N)n1 1103064858 SQPNDMNKZKOORK-SECBINFHSA-N 300.326 -0.481 30 20 DBED Cc1c(C(=O)N2CC(n3cc(CNCC#N)nn3)C2)cnn1C 1105159074 BAUNELDEGDMPMK-UHFFFAOYSA-N 314.353 -0.370 30 20 DBED CN1C[C@@H](C(=O)N(C)CCN(C)c2ccc(C#N)nc2)NC1=O 1105536243 SDVMPPONOULLKO-ZDUSSCGKSA-N 316.365 -0.129 30 20 DBED Cc1cnc(C(=O)NC[C@@H](O)CN=c2cc[nH]cc2C#N)cn1 1105709745 QCOMZDYBICMWIW-LBPRGKRZSA-N 312.333 -0.324 30 20 DBED Cc1ccncc1C(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1 1105769575 NMXFITULJQUKFN-LLVKDONJSA-N 312.333 -0.324 30 20 DBED C=CCn1cc(C(=O)NC[C@@H](O)CNc2ccc(C)nn2)nn1 1106131450 BMFIHNOPBJKANN-NSHDSACASA-N 317.353 -0.235 30 20 DBED Cc1cc(C)c(C(=O)NC[C@@H](O)CN=c2cc[nH]c(C#N)n2)[nH]1 1106164969 AACSDOGFVUVEEA-NSHDSACASA-N 314.349 -0.082 30 20 DBED C[C@@H]1CN(C(=O)CN(C)S(C)(=O)=O)C[C@H]1CNCC#N 1106204537 YNWHQRRXHPCAFP-GHMZBOCLSA-N 302.400 -0.915 30 20 DBED C#CCNC(=O)CC(=O)NC/C=C\CNc1ncc(F)cn1 1107130234 INVZIZYVLXDKBK-ARJAWSKDSA-N 305.313 -0.161 30 20 DBED CCNC(=O)CC(=O)NC/C=C\CN=c1cc[nH]c(C#N)n1 1107131301 MEEMHOCRISHQEW-ARJAWSKDSA-N 302.338 -0.619 30 20 DBED COCCCN1CC(n2cc(CNC(=O)[C@@H](C)C#N)nn2)C1 1107149584 JTAYDTVKLBLDIQ-NSHDSACASA-N 306.370 -0.053 30 20 DBED C=CCN1CC(n2cc(CNC(=O)C[C@H]3CCNC3=O)nn2)C1 1107178333 SQPVKVZOEWVENV-LLVKDONJSA-N 318.381 -0.537 30 20 DBED C[C@@H](CC(N)=O)C(=O)NC/C=C/CNc1cnc(C#N)cn1 1107453490 ZALRSTYIJMGYEK-PBKGFPTLSA-N 302.338 -0.056 30 20 DBED CCC(=O)N[C@H](C)C(=O)NC/C=C/CN=c1cc[nH]c(C#N)n1 1107558263 XSYSGQRGJNYIOO-SGUJLRQBSA-N 316.365 -0.231 30 20 DBED C[C@H](CNc1cnc(C#N)cn1)NC(=O)Cn1cnnc1O 1107725665 DKJOITJKKKZULH-MRVPVSSYSA-N 302.298 -0.738 30 20 DBED C[C@]1(CNC(=O)[C@@H]2CC23CC3)CN(CC(=O)NCC#N)CCO1 1108240853 QGWXGKUPTLCPHV-WFASDCNBSA-N 320.393 -0.367 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)C(C)(C)NC(=O)NCC)C1 1108256660 BXQCQQSRIYTSAL-INIZCTEOSA-N 324.425 -0.076 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)[C@@H]2CCCN2C(C)=O)C1 1108353765 NPSPKCXDYLTFHX-GOEBONIOSA-N 307.394 -0.162 30 20 DBED C[C@@H](CNc1ccc(C#N)cn1)NC(=O)C[C@@H]1CC(=O)NC1=O 1108435570 HFHMPWUQDNAVAC-GXSJLCMTSA-N 315.333 -0.077 30 20 DBED N#Cc1cnc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)CCn2cncn2)cn1 1109680994 GRYLZJHHXJQYCG-IFUGULHKSA-N 324.348 -0.277 30 20 DBED C[C@@]1(C(=O)NCC2(Nc3ccc(C#N)nn3)CC2)CNC(=O)C1 1110287680 LPKWLJMQSDVUDV-AWEZNQCLSA-N 314.349 -0.065 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCCn1c(O)nnc1O 1110747099 KHLKGUZACXMGIC-UTUOFQBUSA-N 319.365 -0.176 30 20 DBED Cn1cc(C(=O)N(CCO)CCNc2ccc(C#N)nn2)cn1 1111417615 OJHOQYIMWDVEQU-UHFFFAOYSA-N 315.337 -0.372 30 20 DBED CC(=O)NCC(=O)N[C@H]1CCN(c2nccnc2C#N)[C@H](C)C1 1112467562 PKTLKCIZCNVAJJ-PWSUYJOCSA-N 316.365 -0.042 30 20 DBED N#CCSCC(=O)N1CCN(CCN2C(=O)CCC2=O)CC1 1112630294 URXXDASMAHCNML-UHFFFAOYSA-N 324.406 -0.464 30 20 DBED COCCC(=O)NC[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1O 1112689892 TZELBYMQEMLIAX-CHWSQXEVSA-N 304.350 -0.097 30 20 DBED CNC(=O)NCC(=O)N[C@H](C)[C@H](C)Nc1ccc(C#N)nn1 1113350646 WSOWUWVETGIGHM-DTWKUNHWSA-N 305.342 -0.418 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)[C@]2(C)CCOC2)CC1 1113457734 AOEQODRCEPFGMG-CZUORRHYSA-N 307.394 -0.305 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2c(C)nn(C)c2F)CC1 1113590076 QXQMZERFUIRBBD-UHFFFAOYSA-N 321.356 -0.625 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)CCc2nccs2)CC1 1113649917 XNRWXVLAZAEQKA-UHFFFAOYSA-N 321.406 -0.140 30 20 DBED COCC#CCN1CCN(C(=O)[C@H](C)N2CCOCC2)CC1 1113740637 OALRBNFDYQNDNZ-HNNXBMFYSA-N 309.410 -0.499 30 20 DBED C=CCNC(=O)NC(=O)CN1C[C@@H]2C(NC(=O)CCOC)[C@H]2C1 1113762247 RBDVLXCFGYVHSE-QWRGUYRKSA-N 324.381 -0.919 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@H]2CN(Cc3cnn(C)c3)C[C@H]12 1114158049 PDLVTZVACRWRRV-STQMWFEESA-N 315.377 -0.894 30 20 DBED C=C(C)CCC(=O)N[C@H]1[C@@H]2CN([C@H](C)C(=O)NC(N)=O)C[C@@H]21 1114352868 ITNWXESTWOTRIY-DCQANWLSSA-N 308.382 -0.028 30 20 DBED N#CCN1C[C@H]2[C@H](NC(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)[C@H]2C1 1114593150 RGILTSUKYGUQKC-JLDUMIBSSA-N 306.366 -0.631 30 20 DBED C[C@H](CN(C)C(=O)Cn1cncn1)Nc1cncc(C#N)n1 1115729055 TVAPTEISMDNESS-SNVBAGLBSA-N 300.326 -0.101 30 20 DBED Cn1nncc1NC(=O)C(=O)NCCNc1ncccc1C#N 1117635388 YAFILJYZZYNUQH-UHFFFAOYSA-N 314.309 -0.751 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2C[C@H](C)O[C@H](C)C2)nn1 1118116387 VETSEBVPDDNDCI-PHIMTYICSA-N 307.354 -0.284 30 20 DBED NCC(F)(F)CC(=O)NCCN/C(O)=C1/N=CC=CC1=O 1118343510 CQYLQSGMGZKEIA-KHPPLWFESA-N 302.281 -0.387 30 20 DBED Cc1cc(C#N)nc(N[C@H](CO)CNC(=O)C2CCOCC2)n1 1120987275 VZNYOZJRDIHERY-ZDUSSCGKSA-N 319.365 -0.028 30 20 DBED CO[C@@H](C)CC(=O)NC[C@H](CO)N=c1cc(C)[nH]cc1C#N 1121192854 ZXPLEYYNGYFSEX-WCQYABFASA-N 306.366 -0.002 30 20 DBED Cc1[nH]nc(C(=O)NC[C@H](CO)Nc2nccnc2C#N)c1C 1121248401 AIKTURBIBFQSSS-SNVBAGLBSA-N 315.337 -0.109 30 20 DBED Cc1ncoc1C(=O)NC[C@H](CO)Nc1nccnc1C#N 1121431836 DYBUFTXPCJNIIF-SECBINFHSA-N 302.294 -0.153 30 20 DBED Cc1cc(=N[C@@H](CO)CNC(=O)CC(C)(C)O)c(C#N)c[nH]1 1121504547 FVXAVELDLIZPEV-GFCCVEGCSA-N 306.366 -0.266 30 20 DBED C#CCCCC(=O)N(C)C[C@H](O)CN=c1cc[nH]c(C#N)n1 1124278978 SCEPPPQHLFBZIK-GFCCVEGCSA-N 301.350 -0.195 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)[C@]1(C)CCOC1 1124482115 CZVSWZYZFAXOAA-XHDPSFHLSA-N 319.365 -0.572 30 20 DBED CN(C[C@@H](O)CNc1cncc(C#N)n1)C(=O)c1cnco1 1124621346 HOHILRMOUWKVDS-JTQLQIEISA-N 302.294 -0.119 30 20 DBED Cc1nn[nH]c1C(=O)N(C)C[C@@H](O)CNc1cnc(C#N)cn1 1124633795 NQJBHNFFGSBLEQ-JTQLQIEISA-N 316.325 -0.680 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCN[C@H](C)C(=O)NC(=O)NCC 1126360576 OCWKGVNOWXRGFN-QMTHXVAHSA-N 314.386 -0.747 30 20 DBED C=C(C)CN1C[C@@H](F)C[C@@H]1c1n[nH]c(CNC(=O)CC(N)=O)n1 1131146762 LCWSMGYPWLQJOS-VHSXEESVSA-N 324.360 -0.043 30 20 DBED CO[C@H](C)CCC(=O)N1CCC(=O)NCCN(CC#N)CC1 1131351703 YJKSUVZAWCNFBW-CYBMUJFWSA-N 310.398 -0.024 30 20 DBED C=CCOCC(=O)N[C@H]1CC[C@@H](C)N(CC(=O)NC(N)=O)C1 1131946822 NMBPCJODHBXASC-MNOVXSKESA-N 312.370 -0.647 30 20 DBED C[C@@H]1CC[C@H](NC(=O)CC2(O)CCC2)CN1CC(=O)NCC#N 1132017392 OSLKISQWBQVXBP-OLZOCXBDSA-N 322.409 -0.100 30 20 DBED C[C@@H]1CC[C@H](NC(=O)CC(=O)N(C)C)CN1CC(=O)NCC#N 1132343555 JBSRCZJCTWUQPK-NEPJUHHUSA-N 323.397 -0.926 30 20 DBED C=CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)CNC(=O)OC 1133790082 NWFYLWNGNOGBOG-GHMZBOCLSA-N 314.386 -0.483 30 20 DBED C=CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)Cn1nccn1 1134461849 NXZZXLLKARHFNS-RYUDHWBXSA-N 308.386 -0.547 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)c1cnc(O)n1C 1135188648 NOKAIBSHFQXILX-GHMZBOCLSA-N 321.381 -0.638 30 20 DBED C#Cc1ccc(C(=O)NCCN[C@@H]2CCC(=O)NC2=O)cn1 1148382947 LJGJHGWABDWWEY-GFCCVEGCSA-N 300.318 -0.813 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CCc2nncn2C1 1152162517 XXUMFZMEEWUAAS-NWDGAFQWSA-N 320.397 -0.763 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)c1ccc(C#N)[nH]1 1156697854 NERSGVFYMWMRRM-NSHDSACASA-N 301.350 -0.266 30 20 DBED N#CCNC(=O)CNCCCNC(=O)[C@@H]1CCCc2n[nH]cc21 1158087163 WNWUFQJVZQGAJY-LLVKDONJSA-N 318.381 -0.435 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)[C@H]1CCNC(=O)CC1 1163317989 KNFOEDXQZKBENK-CHWSQXEVSA-N 324.425 -0.311 30 20 DBED C#CCNC(=O)CNCC1(CCNC(=O)[C@H](O)C(C)C)CC1 1164395410 AAEPNTQVHDLFPZ-CQSZACIVSA-N 309.410 -0.371 30 20 DBED N#CCNC(=O)CNCC1(CCNC(=O)c2ncccn2)CC1 1167502123 WVRWEFQLUWVLNE-UHFFFAOYSA-N 316.365 -0.394 30 20 DBED CC(=O)NC1(C(=O)NCCCNCC(=O)NCC#N)CCCC1 1168197012 ADIYZSXTIGUGEQ-UHFFFAOYSA-N 323.397 -0.829 30 20 DBED COCC#CCNCCCNC(=O)C(=O)NCC(F)(F)F 1169444669 YRDWAQVPYZVWLK-UHFFFAOYSA-N 309.288 -0.589 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)CCCCN[C@H]1CCNC1=O 1170310047 ATBBEPZVZDHQBH-OLZOCXBDSA-N 322.409 -0.721 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)CC(=O)NCC1CC1 1170579178 HYHPFWBAMHYKKK-GFCCVEGCSA-N 322.409 -0.864 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](NCCC[C@H](C)O)[C@@H]1C 1178508428 DABQFOBKCZGBAL-IHRRRGAJSA-N 309.410 -0.134 30 20 DBED CCOCCNC(=O)CN[C@@H]1CCN(C(=O)C#CC(C)C)C1 1182371650 FODIFXWAAKKOGI-CQSZACIVSA-N 309.410 -0.011 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)Cn2cncc2C)C1 1184302758 YPTBKLPWHOXVJS-CYBMUJFWSA-N 303.366 -0.869 30 20 DBED C[C@@H]1CN(C(=O)CN2CCCNC2=O)CC[C@H]1CNCC#N 1184735174 MSDUWQJLYCJBKG-OLZOCXBDSA-N 307.398 -0.001 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)c2cc(C(N)=O)co2)C1 1185599658 DKYFRYASHGTQFT-GFCCVEGCSA-N 305.334 -0.168 30 20 DBED C[C@@H]1CN(C(=O)c2cn(C)c(=O)n2C)CC[C@H]1CNCC#N 1185762631 OIHTZOBALQCNKK-NEPJUHHUSA-N 305.382 -0.065 30 20 DBED C#CCCN1C[C@@H]2CCN(C(=O)[C@H](C)NC(=O)COC)[C@@H]2C1 1187996123 ATDYFDWQEDGDPC-MELADBBJSA-N 307.394 -0.307 30 20 DBED C=CCCN1C[C@@H]2CCN(C(=O)CNS(=O)(=O)NC)[C@@H]2C1 1188731334 KWPABVFEIMJEBR-NWDGAFQWSA-N 316.427 -0.851 30 20 DBED C=CCOCC(=O)N[C@@H]1CN([C@H]2CCN(CC=C)C2=O)C[C@H]1O 1191771849 SAPDGIZTWHRXCQ-HZSPNIEDSA-N 323.393 -0.863 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(Cc2ccn(CC)n2)C[C@H]1O 1192531482 XATGPDJBSAMFTG-IIAWOOMASA-N 322.409 -0.109 30 20 DBED Cc1cocc1C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1O 1195306817 HQJDHUGKTYHJJD-VXGBXAGGSA-N 306.322 -0.997 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)CCc2ncccn2)C1 1197098638 RBGCPWLKLWYTDU-ZIAGYGMSSA-N 318.377 -0.780 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)Cc2cnc[nH]2)CC1 1202667256 GKWBIRCZJFEZLN-UHFFFAOYSA-N 303.366 -0.718 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2cc(C)[nH]n2)[C@H](C)C1 1206268812 XKXZGYFGPNVRQU-ZWNOBZJWSA-N 303.366 -0.482 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(Cc2ccon2)C[C@H]1C 1206887587 RGIUXLBYPUICKS-DGCLKSJQSA-N 304.350 -0.249 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)c2n[nH]cc2C)[C@H](C)C1 1206938237 NDTQGPSCNQEBQE-FRRDWIJNSA-N 317.393 -0.094 30 20 DBED C#CCN[C@@H]1CCCN(C(=O)CNS(=O)(=O)CCCC)C1 1210857188 FJOIHPKNWQEMAK-CYBMUJFWSA-N 315.439 -0.080 30 20 DBED C=CCOCCN1C[C@@H](NC(=O)CN(C)C(C)=O)[C@H](OC)C1 1211894084 CSKKNNWZXVATMK-ZIAGYGMSSA-N 313.398 -0.517 30 20 DBED CO[C@@H]1CN([C@@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)C#CC(C)C 1212241825 ZUEDAUQIDHOYPD-JHJVBQTASA-N 321.377 -0.734 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2nncs2)C[C@H]1OC 1212264737 QJBKDZXQSRJGHA-IJLUTSLNSA-N 324.406 -0.108 30 20 DBED C=CCOCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cnnn1C 1217753186 XLRNTYJSYATTLG-UONOGXRCSA-N 321.381 -0.457 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)c2cc(C)n(C)n2)C1 1219272788 WGYVOAOJFUOVDE-KGLIPLIRSA-N 308.382 -0.294 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(CCc2ccnn2C)C[C@@H]1O 1219536726 XKUZUNISPWMXIZ-IJEWVQPXSA-N 322.409 -0.549 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2ccccn2)C[C@@H]1O 1219613790 RWJOTHYFNUNIFC-CABCVRRESA-N 303.362 -0.217 30 20 DBED C=C(Cl)C(C)(C)C(=O)N[C@@H]1CN([C@H]2CCNC2=O)C[C@@H]1O 1219703222 XLAMVXILVDZYJC-VWYCJHECSA-N 315.801 -0.185 30 20 DBED CC#CCCCC(=O)N[C@@H]1CN(Cc2nncn2C)C[C@@H]1O 1220175629 CRVFRBLTYUMCKA-OLZOCXBDSA-N 305.382 -0.330 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)CCNC(=O)[C@H]3CCCO3)[C@@H]2C1 1222123997 CDFKBNQUQIAIKZ-RBSFLKMASA-N 319.405 -0.162 30 20 DBED N#CCNC(=O)CN1CCC(NC(=O)[C@@]2(F)CCOC2)CC1 1228835100 ZXIBMIKJVDMCER-CQSZACIVSA-N 312.345 -0.665 30 20 DBED N#CCN1CCS(=O)(=O)[C@H](CCNC(=O)[C@H]2CC23CC3)C1 1230502950 SWJIBDVWIQVWLS-VXGBXAGGSA-N 311.407 -0.085 30 20 DBED C=CCOCCN1CC[C@@H]1CN(C)C(=O)CS(C)(=O)=O 1231026374 ODGRLNJWBGOLPJ-GFCCVEGCSA-N 304.412 -0.234 30 20 DBED C=CCOCC(=O)N(C)C[C@H]1CCN1CCNS(C)(=O)=O 1231241834 ZYFCUEABBGTQKV-GFCCVEGCSA-N 319.427 -0.729 30 20 DBED C=CCn1cc(CNC(=O)N(C)[C@H]2CCS(=O)(=O)C2)nn1 1261439903 ZABUPJJOPCVYHX-NSHDSACASA-N 313.383 -0.207 30 20 DBED CO[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@](O)(CC#N)C2)C12CCC2 1261473975 VIPCZVJBVHBTOD-YWPYICTPSA-N 321.377 -0.063 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CCCN(CCS(C)(=O)=O)C1 1317931272 LPWGGZGXHGRIBS-QWHCGFSZSA-N 316.423 -0.350 30 20 DBED C=CCNC(=O)CNC(=O)C(=O)Nc1cccc(C(N)=O)c1C 1320676504 WKJOTXDZVOLDPX-UHFFFAOYSA-N 318.333 -0.549 30 20 DBED Cc1cc(NC(=O)C(=O)N2C[C@@H]3C[C@@]3(CO)C2)n(CCC#N)n1 1320678987 OOSFUAGXPXZBIM-NHYWBVRUSA-N 317.349 -0.116 30 20 DBED C#CCNC(=O)c1ccccc1NC(=O)CN1C(=O)CNC1=O 1322274181 IZLAEBLMEPKEKF-UHFFFAOYSA-N 314.301 -0.460 30 20 DBED CC1(C)CN(C(=O)C(=O)NCC2(CC#N)CC2)C[C@H](CO)O1 1325603949 ITPBQLLKSWVUBI-LLVKDONJSA-N 309.366 -0.205 30 20 DBED COCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@H](C)N 1326181898 BLHCNBUIXBYHTI-LBPRGKRZSA-N 318.377 -0.003 30 20 DBED C=CCn1cc(CNC(=O)C(=O)NCc2cc(C)on2)nn1 1332025663 LCYAFUVXXFTNOU-UHFFFAOYSA-N 304.310 -0.307 30 20 DBED COc1cc(CNC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)ccn1 1332179393 FCRYPYAZBGARIC-HNNXBMFYSA-N 318.333 -0.417 30 20 DBED N#C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC(=O)N(C3CC3)C2)C1 1333192071 ADSDOARUHISKCU-QWRGUYRKSA-N 304.350 -0.372 30 20 DBED C=CCOCCn1nnnc1N1CCC[C@@H](S(C)(=O)=O)C1 1334170449 DKUFRPUUPIMCGK-LLVKDONJSA-N 315.399 -0.111 30 20 DBED N#CCn1cc(NC(=O)C(=O)NCCOC(F)(F)F)cn1 1338882246 NITGEFJYAYHCCV-UHFFFAOYSA-N 305.216 -0.002 30 20 DBED C=CCCC[C@@H](N)C(=O)N1CCN(C(=O)C(=O)OCC)CC1 1341733931 XCDKKEPWSYDSSN-GFCCVEGCSA-N 311.382 -0.096 30 20 DBED C=CCn1cc(CNC(=O)C(=O)NCC(C)(C)C(C)(C)O)nn1 1345700748 WZNCKMVBXXRBCK-UHFFFAOYSA-N 323.397 -0.006 30 20 DBED N#Cc1c(NC(=O)CN2CCOCC2=O)ncc2c1COCC2 1361748149 HBLRJZSOAUVGPG-UHFFFAOYSA-N 316.317 -0.177 30 20 DBED C[C@H](Cn1ccnc1)NC(=O)CCn1cc(C#N)c(O)nc1=O 1361917352 FWVLLPLLZRUVPZ-SNVBAGLBSA-N 316.321 -0.388 30 20 DBED CSc1nc(O)c(C(=O)N[C@H]2C[C@H](O)[C@H](O)C2)cc1C#N 1363536391 QARZQSUDIJQBEC-SLGCYQGISA-N 309.347 -0.005 30 20 DBED C[C@H]1COC[C@@H]1NC(=O)NCCn1cc(C#N)c(O)nc1=O 1365263846 RYYYYOXPJILMNM-WPRPVWTQSA-N 307.310 -0.845 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CCN(C(=O)c2cc(C(N)=O)c[nH]2)C1 1372091782 KUHOHZKBEMYRFM-ONGXEEELSA-N 317.349 -0.054 30 20 DBED CCCC[C@H](NC(N)=O)C(=O)N(C)CCNC(=O)[C@@H](C)C#N 1373648821 GPOTWLKELFKIEC-QWRGUYRKSA-N 311.386 -0.052 30 20 DBED C=C(Cl)CN[C@@H](CC)CNC(=O)Cn1ncn(C)c1=O 1378269083 PHGFSSFVAMCXEJ-JTQLQIEISA-N 301.778 -0.181 30 20 DBED CNC(=O)NCCC(=O)NC[C@H](NC(=O)[C@@H](C)C#N)C1CC1 1385709790 MDKWPSOWBCJLDF-ONGXEEELSA-N 309.370 -0.524 30 20 DBED C[C@H](C#N)C(=O)N1CC(CNC(=O)CCN2CCCC2=O)C1 1389716206 QFVGPGYPLRGOOQ-LLVKDONJSA-N 306.366 -0.267 30 20 DBED COC(=O)NCC(=O)N1CC[C@@]2(CCN(C(=O)[C@@H](C)C#N)C2)C1 1410858510 BELQEZLBJYELOX-XHDPSFHLSA-N 322.365 -0.047 30 20 DBED Cc1cc(NC(=O)Cn2c(=O)c(C#N)c(C)n(C)c2=O)no1 1413928061 YRKVQGIPMGDNFV-UHFFFAOYSA-N 303.278 -0.338 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](C)NC(=O)c1cnn(CCN(C)C)c1 1416821189 ZZGDSIFVGWWYMG-NWDGAFQWSA-N 320.397 -0.161 30 20 DBED C[C@@H](C#N)C(=O)NC1CCC(NC(=O)CCn2cnnn2)CC1 1428480231 LWXMXFMUYRBEAQ-UNXYVOJBSA-N 319.369 -0.234 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H]1CNC(=O)CCn1cncn1 1430936139 SLSNAHZAXQESDR-NWDGAFQWSA-N 304.354 -0.065 30 20 DBED C[C@H](CNC(=O)c1cc(C#N)c[nH]1)N(C)C(=O)Cc1nc[nH]n1 1449860423 JEDWDQNSDXCDCA-SECBINFHSA-N 315.337 -0.176 30 20 DBED C[C@H](CNC(=O)c1c[nH]c(C#N)c1)NC(=O)CN1CCCC1=O 1454594419 QXJIPDRHNCOGNO-SNVBAGLBSA-N 317.349 -0.257 30 20 DBED CN(CCC#N)S(=O)(=O)N[C@@H]1C[C@@H]2CCCCN2C1=O 1463829995 IGDHIHANSQZYRQ-WDEREUQCSA-N 300.384 -0.180 30 20 DBED COC(=O)NCC(=O)NC1CN(C(=O)c2cc(C#N)c[nH]2)C1 1530361636 BINJODKHYLYNSH-UHFFFAOYSA-N 305.294 -0.817 30 20 DBED C[C@@H](C(=O)N[C@@H]1CNCC2(CCOCC2)C1)n1cnc(C#N)n1 1575071184 XNODUBGVQOGEFL-RYUDHWBXSA-N 318.381 -0.014 30 20 DBED C[C@H]1CN(c2cnc(-c3nn[nH]n3)c(C#N)n2)CCN1CCO 1576363722 HMADCNYTBXSCSO-VIFPVBQESA-N 315.341 -0.969 30 20 DBED COCC#CCN[C@@H](C)[C@H](C)NC(=O)CCOCc1cnn[nH]1 1576953406 NUGBHWBEIMRECC-STQMWFEESA-N 323.397 -0.156 30 20 DBED C=CC[C@@H](CO)NC(=O)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 1588545764 NLYXDPVQSDMUKX-RYUDHWBXSA-N 303.322 -0.047 30 20 DBED Cc1nc([C@@H]2CCN(c3cnc(-c4nn[nH]n4)c(C#N)n3)C2)n[nH]1 1592358290 XLNMHQTVJKLBND-MRVPVSSYSA-N 323.324 -0.051 30 20 DBED O=C(O)CS(=O)(=O)CCN1CCC2(CC1)CC(=O)C=CO2 1595124147 YUGVHIFPHQKEKK-UHFFFAOYSA-N 317.363 -0.177 30 20 DBED N#Cc1ccc(S(=O)(=O)NC[C@@H]2CCC(=O)N2)c(C(=O)O)c1 1601111451 DPXOPBMUSHWMNE-VIFPVBQESA-N 323.330 -0.187 30 20 DBED C#CC[C@H](NC(=O)c1ccc(-n2[nH]c(O)nc2=O)cc1)C(=O)O 1602691840 BLRDXGXCTJBGQC-JTQLQIEISA-N 316.273 -0.528 30 20 DBED C#CCN(C)CCCNC(=O)CN1CCC[C@H](C(=O)O)C1=O 1602713595 KLIBIYMOFHMSNH-LBPRGKRZSA-N 309.366 -0.619 30 20 DBED CC(C)[C@@H](C#N)N1CCN([C@@H]2CCN(CC(=O)O)C2=O)CC1 1602961200 QZXFJGALRZXGAR-CHWSQXEVSA-N 308.382 -0.162 30 20 DBED Cc1cc(NC(=O)C(=O)N[C@H](C)CC#N)ncc1-c1nn[nH]n1 1605703049 JDZHTQVIDBIYDF-MRVPVSSYSA-N 314.309 -0.073 30 20 DBED CN1CC[C@@](O)(CNC[C@H](O)COc2ccccc2C#N)C1 1647557348 ILCFAKVHAJSBMW-GOEBONIOSA-N 305.378 -0.046 30 20 DBED C=CCOCC(=O)N1CC[C@H](NCC(=O)N2CCOCC2)C1 1662470313 OKDPIAMHZCDKLM-ZDUSSCGKSA-N 311.382 -0.762 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1C[C@@H](NC(=O)c2n[nH]cc2F)C1 1752765472 LRNRUDRFZYWNCB-BBBLOLIVSA-N 307.329 -0.463 30 20 DBED CC[C@H](C)OCC(=O)NC[C@H]1CCN(CC(=O)NCC#N)C1 1753122318 KHNKFRLBABVYHO-QWHCGFSZSA-N 310.398 -0.121 30 20 DBED C#CCNC(=O)CN1CC(NC(=O)c2snnc2C(C)C)C1 1753390325 XRDORTXPHXIFNI-UHFFFAOYSA-N 321.406 -0.175 30 20 DBED CN1CC(=O)N(CC(=O)N[C@H]2CCC[C@@H]2CNCC#N)C1=O 1753897778 OBNLWBIFUORIKO-MNOVXSKESA-N 307.354 -0.722 30 20 DBED C#CCNC(=O)[C@H](C)NCC[C@H](C)NC(=O)c1cn(C)cn1 1753957525 PAIJXXWGRYSTLQ-RYUDHWBXSA-N 305.382 -0.344 30 20 DBED N#CCNC(=O)CNC1(CNC(=O)[C@H]2C[C@]23CCOC3)CC1 1754531077 OJFJQGLPBCECMF-RISCZKNCSA-N 306.366 -0.709 30 20 DBED N#CCN1CC[C@@](O)(CNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1754756429 NEOFGOUNVNROBB-RMRHIDDWSA-N 309.366 -0.886 30 20 DBED C#CCCNCCN(CCO)C(=O)c1cnn2ncccc12 1754882994 ABNDHLNIVCIHOV-UHFFFAOYSA-N 301.350 -0.223 30 20 DBED C#CCNCCN(CCO)C(=O)c1nc2nccc(C)n2n1 1754897585 YOFPCYCKSKIMJY-UHFFFAOYSA-N 302.338 -0.910 30 20 DBED N#CCN1CCOC[C@@H]1CNC(=O)CCOC[C@H]1CCCO1 1754968613 IDLSCCZOWQQKSA-UONOGXRCSA-N 311.382 -0.087 30 20 DBED C#CCN1CC(N2CCN(C(=O)COCC(F)F)CC2)C1 1755145671 XCMCHEFEOGALFJ-UHFFFAOYSA-N 301.337 -0.270 30 20 DBED C=CCNC(=O)CN1CC([C@H](C)NC(=O)Cn2ccnc2)C1 1755391451 FCJARTSPHMTTQP-LBPRGKRZSA-N 305.382 -0.378 30 20 DBED CNC(=O)NCCC(=O)N1CC[C@@]2(CN(CC#N)CCO2)C1 1755400404 GCUUSCNMPRHTGB-CQSZACIVSA-N 309.370 -0.868 30 20 DBED COCC#CCN(C)CCOCCNC(=O)c1cn(C)cn1 1755540193 AZTYFRZADRZKSQ-UHFFFAOYSA-N 308.382 -0.252 30 20 DBED CCc1nc(C)c(C(=O)NC[C@H](CO)NCC#CCOC)o1 1755642863 BJNRTYYLCVXYKP-GFCCVEGCSA-N 309.366 -0.124 30 20 DBED C#CCN1CC[C@@]2(NC(=O)CCNC(=O)COC)CCC[C@H]12 1755702717 RKVSNCPGXYTSKI-BBRMVZONSA-N 307.394 -0.115 30 20 DBED CN(CC(C)(C)CNC(=O)c1ccc(C#N)[nH]1)C(=O)CC(N)=O 1755989575 GZVRDVBDHHPLAX-UHFFFAOYSA-N 319.365 -0.024 30 20 DBED CC#CCCCC(=O)N1CC([C@@H](C)NC(=O)[C@@H]2CNC(=O)N2)C1 1756154480 BLNYIPGAZZBBSR-YPMHNXCESA-N 320.393 -0.176 30 20 DBED C=CCOCC(=O)NC[C@@H]1CC[C@@H](NC(=O)C2(C(N)=O)CC2)C1 1756646586 IMVAJXMSCWYAAF-VXGBXAGGSA-N 323.393 -0.144 30 20 DBED CNC(=O)NCC(=O)N1CCC2(CN(C(=O)C#CC(C)C)C2)C1 1756832098 VLTDNHAZKNLRLF-UHFFFAOYSA-N 320.393 -0.364 30 20 DBED COC(=O)CC1(NC(=O)Cn2cnc(C#N)n2)CCOCC1 1771626151 GTCUMUQRHANJLX-UHFFFAOYSA-N 307.310 -0.622 30 20 DBED Cc1cc(C(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)no1 1846195204 ORNPCQLGGUVXFI-UHFFFAOYSA-N 317.301 -0.112 30 20 DBED C#CCNC(=O)COC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O 7471690 DAHYPLCSNBAXAV-SNVBAGLBSA-N 314.297 -0.036 30 20 DBED CNS(=O)(=O)c1ccc(-n2cnc(C#N)n2)c([N+](=O)[O-])c1 14272187 SGJKSGANQMPJEC-UHFFFAOYSA-N 308.279 -0.045 30 20 DBED CS(=O)(=O)NCCNS(=O)(=O)c1cccc(F)c1C#N 70397917 IYZYVHTWWIDFQN-UHFFFAOYSA-N 321.355 -0.475 30 20 DBED CN(C[C@H](O)C(F)(F)F)c1c(C#N)c(=O)n(C)c(=O)n1C 91629389 YEILDZCFKAJEFU-ZETCQYMHSA-N 306.244 -0.685 30 20 DBED CCN(CC#N)CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 121006511 GDMUOOGPDCIQTP-UHFFFAOYSA-N 324.406 -0.162 30 20 DBED COC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(C#N)nc1 122461422 KQGVFBJBDBAICG-ONGXEEELSA-N 311.319 -0.750 30 20 DBED Cc1nc(S(=O)(=O)NCCC(=O)N[C@H](C)CC#N)cn1C 171284753 DXRZLXZVVWXDCJ-SECBINFHSA-N 313.383 -0.185 30 20 DBED CC(=O)N1CC[C@@H](C(=O)N(CCC#N)CCN2CCOCC2)C1 176300557 WUHJGWXBPONYDK-OAHLLOKOSA-N 322.409 -0.071 30 20 DBED CNS(=O)(=O)CCNS(=O)(=O)c1ccc(C#N)s1 231008946 INDNMVUVWKYSIB-UHFFFAOYSA-N 309.394 -0.553 30 20 DBED COC(=O)CSCCNc1c(C#N)c(=O)n(C)c(=O)n1C 264360045 GBCFQTIWGAQBNE-UHFFFAOYSA-N 312.351 -0.726 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)CN(CC)CC)CC1 265069075 VDGAUXFOKRFOHX-UHFFFAOYSA-N 308.426 -0.388 30 20 DBED C#CCOc1ccccc1NC(=O)C(=O)NCCC(=O)NC 274691595 MSTXPWAZYWRWSA-UHFFFAOYSA-N 303.318 -0.111 30 20 DBED CC#CCNC(=O)[C@](C)(O)CN1C(=O)NC2(CCCC2)C1=O 281343593 WGVXNFYBHDGRNI-CQSZACIVSA-N 307.350 -0.259 30 20 DBED CO[C@@H]1[C@@H]2C[C@@H]3[C@@H]1N(c1c(C#N)c(=O)n(C)c(=O)n1C)C[C@@H]3C2 286294957 JBOVIIYTPZURRM-ZIIUWJBSSA-N 316.361 -0.185 30 20 DBED C[C@H](O)CCNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 291337536 QYYRMXNGPBRDLH-JTQLQIEISA-N 311.363 -0.276 30 20 DBED CCN1CCC[C@@H]1CN/C(N)=N/CC(C)(C)NS(C)(=O)=O 304760558 SNLZNXKBOSFQCG-LLVKDONJSA-N 319.475 -0.297 30 20 DBED C[C@@H](CN1CCOCC1)/N=C(/O)N[C@@H]1CS(=O)(=O)C[C@@H]1C 329597314 IZFJYCVUCRHMIC-SDDRHHMPSA-N 319.427 -0.356 30 20 DBED CC(C)OC(=O)[C@@H](C)CNS(=O)(=O)N1CCO[C@H](C#N)C1 337106291 ZVNXSHZVBMKZMW-WDEREUQCSA-N 319.383 -0.367 30 20 DBED C=CC[C@@H](CO)CNC(=O)C(=O)Nc1c(C)ccn(C)c1=O 341431617 KQROGCIPAQHTMU-LLVKDONJSA-N 307.350 -0.067 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(CO)CC2)C1=O 344810677 GZDRIOBJHKNZDH-UHFFFAOYSA-N 309.322 -0.806 30 20 DBED C[C@H]1CS(=O)(=O)CCN1C(=O)CNc1ccc(C#N)cn1 346059287 DKHZCOXAIDLTOU-JTQLQIEISA-N 308.363 0.011 30 20 DBED C[C@H]1CN(CC(=O)NC2(C#N)CCC2)CCN1S(C)(=O)=O 346976992 VYQPVPRSTOBCMC-NSHDSACASA-N 314.411 -0.485 30 20 DBED C=C[C@@H](CO)NC(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 359659591 RWXPIZCXAKWVAR-WDEREUQCSA-N 320.415 -0.897 30 20 DBED N#C[C@@H]1N(CC(=O)N2CCNC(=O)C2)CCC[C@@]12CCCCO2 366073835 PWQISOOKPPPFIN-BBRMVZONSA-N 320.393 -0.128 30 20 DBED Cn1c(N[C@H]2CCO[C@]3(CCOC3)C2)c(C#N)c(=O)n(C)c1=O 378415561 OJSMMUYMIAJQES-ZUZCIYMTSA-N 320.349 -0.294 30 20 DBED N#Cc1ccccc1OC[C@H](O)CN1CC[C@@H](O)[C@H](CO)C1 396839843 BGZVLKURVNXKJP-RRFJBIMHSA-N 306.362 -0.027 30 20 DBED CS(=O)(=O)N1CCN(CC(=O)NCC2(CC#N)CC2)CC1 435962304 SJHOAUJXGOQHGB-UHFFFAOYSA-N 314.411 -0.626 30 20 DBED C=CCC[C@@H](NC(=O)[C@@H](C)NS(C)(=O)=O)C(=O)OCC 456636215 XVABMYYOJADWOZ-NXEZZACHSA-N 306.384 -0.062 30 20 DBED C[C@H](C#N)CNC(=O)[C@@](C)(O)CN1C(=O)NC2(CCCC2)C1=O 527244554 NMLXEVZGBNEYAP-YGRLFVJLSA-N 322.365 -0.122 30 20 DBED CN(C)S(=O)(=O)NCC(=O)N[C@H](C#N)C1CCCCC1 597343033 UMVMKNWAXHQTGP-LLVKDONJSA-N 302.400 -0.029 30 20 DBED COC(=O)c1ccc(N2CC(NS(C)(=O)=O)C2)c(C#N)n1 599149699 UIVSDRUFKDFDEI-UHFFFAOYSA-N 310.335 -0.522 30 20 DBED COC(=O)C[C@H](O)CNS(=O)(=O)c1ccc(C#N)s1 599463849 YZDQJJFMPDLNFL-ZETCQYMHSA-N 304.349 -0.178 30 20 DBED N#Cc1cc(O)cc(C(=O)NCCCN2C(=O)CNC2=O)c1 614367037 GRVMDPFOMDQNNB-UHFFFAOYSA-N 302.290 -0.064 30 20 DBED N#C[C@H]1CN(S(=O)(=O)NCC2(CO)CCCCC2)CCO1 619711700 WHTZHWUKLCZSOR-LBPRGKRZSA-N 317.411 -0.012 30 20 DBED COC[C@H]1C[C@@H](O)CN1CC#CCN1C[C@H](O)C[C@@H]1COC 649763938 KZDMFXFGBUAIKP-KLHDSHLOSA-N 312.410 -0.847 30 20 DBED C#CCNC(=O)[C@@H](C)OC(=O)CNC(=O)c1ccc(O)cc1 727540134 YDQQGRVOUOSDFY-SNVBAGLBSA-N 304.302 -0.197 30 20 DBED C#CCNC(=O)COC(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 766921675 HCGCMHJOGUBBKZ-LBPRGKRZSA-N 315.329 -0.277 30 20 DBED N#Cc1cnn2c(O)cc(COC(=O)[C@@H]3COCCO3)nc12 782794097 YQUQQONKOWKCAA-JTQLQIEISA-N 304.262 -0.235 30 20 DBED CN(C)c1c(C=NOC2CCOCC2)c(=O)n(C)c(=O)n1C 807985079 AHQXFWCMDLZSNV-UHFFFAOYSA-N 310.354 -0.321 30 20 DBED C#CCNS(=O)(=O)N1CCN(CCOCCC#N)CC1 815079901 ZUGVGZHILBSYBU-UHFFFAOYSA-N 300.384 -0.998 30 20 DBED N#CCCOCCOC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1 815266792 SKYLFXIELCCVNW-SNVBAGLBSA-N 305.356 -0.625 30 20 DBED CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)[C@@](C)(C#N)CC(=O)O)O1 820524248 NHSVZWUJPGDBAE-ISTVAULSSA-N 311.338 -0.257 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N1CCC([C@H](O)C(=O)O)CC1 833376544 GOSBYFUXGJRMHN-KOLCDFICSA-N 313.354 -0.456 30 20 DBED CN(C)CC#CCNC(=O)c1ccc(S(=O)(=O)N(C)C)o1 913516894 KWLWVZASRWBNDE-UHFFFAOYSA-N 313.379 -0.175 30 20 DBED COCCCNC(=O)[C@H](C#N)C(=O)Cn1cc([N+](=O)[O-])cn1 916870857 NGKCQLHJHYREEI-SNVBAGLBSA-N 309.282 -0.347 30 20 DBED CN(CCN1C(=O)c2ccccc2C1=O)C(=O)NCC#CCO 923774919 FDTPHNAXSLMLDG-UHFFFAOYSA-N 315.329 -0.080 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@@H](NC(=O)Cn3nccn3)C2)c1 940666723 UFDODDXFFNTYCK-LLVKDONJSA-N 313.321 -0.491 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C2CN(Cc3cnn(C)c3)C2)CC1 941344110 CMLZGTSEOKHXJM-ZDUSSCGKSA-N 316.409 -0.092 30 20 DBED C=C(C)C(C)(C)C(=O)N1CC[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1 942305143 TUHIISACWQOACB-GHMZBOCLSA-N 308.382 -0.013 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2CN(C(=O)COC)CCO2)nn1 944598844 IZYWRQNNWKFBFR-NSHDSACASA-N 323.353 -0.932 30 20 DBED N#Cc1ccc(C(=O)NC[C@@H]2CCN2C(=O)[C@@H]2CCC(=O)N2)[nH]1 949452760 POJIXWVYTGTDLQ-JQWIXIFHSA-N 315.333 -0.504 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]1CNC(=O)c1cc(C(N)=O)ccn1 951034348 XNZJWNAJJNZYTE-GXSJLCMTSA-N 315.333 -0.329 30 20 DBED CN(C(=O)[C@H]1CC[C@H]1C(N)=O)C1CN(C(=O)C#CC2CC2)C1 954954271 CBCDIASAHITQJM-OLZOCXBDSA-N 303.362 -0.420 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)C(N)=O)[C@@H](C)C2)nc1 955793698 DIDNJSXNJOLKDZ-JQWIXIFHSA-N 314.345 -0.343 30 20 DBED CC#CCN1C[C@H](CNC(=O)c2cc(OC)n(C)n2)[C@@H](O)C1 958239298 MWCIGVXZKYUGNY-AAEUAGOBSA-N 306.366 -0.526 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2[nH]nnc2C)C1 958909518 UPMHJMLEJCSOOG-QWRGUYRKSA-N 321.381 -0.031 30 20 DBED C#CCCN1CC[C@@H](C)[C@H](NC(=O)CN2CCOCC2=O)C1 966751727 LKYLTHZTSQYTQD-ZIAGYGMSSA-N 307.394 -0.305 30 20 DBED CC#CCN1CC[C@@H](C)[C@@H](NC(=O)CN2CC(=O)NC2=O)C1 968431724 OSQUZSPUKOGBLE-NEPJUHHUSA-N 306.366 -0.612 30 20 DBED CC#CCN1CC[C@@H](C)[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)C1 968628397 XYHXVFCGWPACHV-OLZOCXBDSA-N 320.393 -0.270 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)c3nnn(C)n3)C2)cc1 973493667 UCRFEOSQYFRDNI-JOCQHMNTSA-N 324.344 -0.118 30 20 DBED N#CCN[C@@H]1CCC[C@@H](NC(=O)CN2CCCS2(=O)=O)C1 981124646 LBVYISNPDWIGIT-VXGBXAGGSA-N 314.411 -0.438 30 20 DBED C#CCN[C@@H]1CCC[C@H](NC(=O)c2nccnc2C(N)=O)C1 981510268 OIFHKJPRVAYMJT-MNOVXSKESA-N 301.350 -0.161 30 20 DBED CC#CCN1C[C@@]2(C)CN(C(=O)Cn3cnnn3)C[C@@]2(C)C1 982203909 TVUBHJYMSQELHK-GASCZTMLSA-N 302.382 -0.133 30 20 DBED NC(=O)c1cncc(C(=O)NC2CN(C(=O)C#CC3CC3)C2)c1 991811929 LNBMZZSCYGNBRG-UHFFFAOYSA-N 312.329 -0.466 30 20 DBED N#CCN1CC[C@@]2(NC(=O)Cn3c(O)nnc3O)CCC[C@H]12 992442345 CAKDYQLEFYFCOZ-ZANVPECISA-N 306.326 -0.674 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)Cc2nc(C3CC3)nn2C)C1 992552848 DPGVAUDYYUCSTF-VIFPVBQESA-N 316.365 -0.278 30 20 DBED C#CCN1CCC(C(=O)NC2CN(C(=O)[C@@H]3CCCO3)C2)CC1 993854116 XNAZJSKNOVDMBP-HNNXBMFYSA-N 319.405 -0.162 30 20 DBED C#CCN1CC[C@H](n2cc(CNC(=O)[C@@H]3CCN(C)C3)nn2)C1 1000043359 KEPKOCAILVZARE-HIFRSBDPSA-N 316.409 -0.274 30 20 DBED C#CCCN1CC=C(CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 1001142346 VZBBNYKFGMJNSM-UONOGXRCSA-N 305.378 -0.209 30 20 DBED O=C(NCC1CN(C(=O)C#CC2CC2)C1)[C@H]1CCS(=O)(=O)C1 1003182024 LPPQYKYGDAJBLM-ZDUSSCGKSA-N 324.402 -0.591 30 20 DBED N#CCN1CCC[C@H](NC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 1008016293 QKDHEXOMADWGOI-JQWIXIFHSA-N 302.338 -0.530 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2ccc(-n3cnnn3)cn2)C1 1015380521 BFGALQIETFPEGR-GFCCVEGCSA-N 311.349 -0.115 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@H](NCc2cnon2)C1 1018985710 AHWYLYVZQIXGGO-JSGCOSHPSA-N 303.366 -0.142 30 20 DBED C[C@@H](C#N)C(=O)N1CCCO[C@H](CNC(=O)c2cnnn2C)C1 1019577163 OVTXZWLMZKXZEF-WDEREUQCSA-N 320.353 -0.678 30 20 DBED C=C(Cl)CN[C@H]1CCN(C(=O)Cn2nc(C)n(C)c2=O)C1 1019721912 ZQSDXEKMLGVGSI-NSHDSACASA-N 313.789 -0.167 30 20 DBED Cc1ncsc1C(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1O 1023113215 GDNJEBBBXPHMCE-FXBDTBDDSA-N 308.363 -0.087 30 20 DBED C=C(C)CN[C@@H]1CC[C@@H]2CN(C(=O)CN3CC(=O)NC3=O)C[C@H]21 1026376544 CGUDGNIZUOXTTA-JHJVBQTASA-N 320.393 -0.059 30 20 DBED C=CCCn1cc(C(=O)NC[C@@H]2CCCN2CC(=O)NC)nn1 1028192316 KARVRHOGKCMFGU-LBPRGKRZSA-N 320.397 -0.206 30 20 DBED C=CCN1CC[C@@H](CNC(=O)c2cc(=O)n3[nH]cnc3n2)C1 1028928892 SPPXNFXJSQCANA-JTQLQIEISA-N 302.338 -0.345 30 20 DBED CCC(=O)N1CC[C@@H](C(=O)NC[C@H]2CN(CC#N)CCO2)C1 1035570913 UBJUIESGFMCVFL-OLZOCXBDSA-N 308.382 -0.415 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2CN(C[C@@H](C)O)CCO2)cn1 1035586538 QXZQKBQPJQCYGC-DOMZBBRYSA-N 303.362 -0.126 30 20 DBED C#CCCN1CCO[C@H](CNC(=O)[C@@H]2CN(CC)CCO2)C1 1035611253 RKKYMGKACIXJRS-CABCVRRESA-N 309.410 -0.453 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)[C@H]2CCCS2(=O)=O)C1 1035611291 ROWAXXHZLCPITG-NWDGAFQWSA-N 300.380 -0.986 30 20 DBED C#CCCCC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H](C)OCC#C)C1 1039575896 HYRLILTVVYVNGE-PBHICJAKSA-N 320.389 -0.092 30 20 DBED C#CCOCCC(=O)N1CC[C@@](O)(CNC(=O)C#CC(C)C)C1 1039668104 NUVJVBHRHKHWPF-QGZVFWFLSA-N 320.389 -0.235 30 20 DBED C#CCCCC(=O)N1CC[C@@](O)(CNC(=O)CCCC(N)=O)C1 1040211101 GUZOYCJPMDOLPM-MRXNPFEDSA-N 323.393 -0.475 30 20 DBED Cc1ccnn1CC(=O)N1CC[C@](O)(CNC(=O)[C@@H](C)C#N)C1 1040760853 AHSXADYRURLAPR-NHYWBVRUSA-N 319.365 -0.569 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)c3cccnc3)C2)nn1 1040910632 MCQDLSMAHDYVFI-CHWSQXEVSA-N 310.317 -0.277 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(O)(CNC(=O)c2ccco2)C1 1041201993 NYONEIZKVKXXJO-AWEZNQCLSA-N 308.334 -0.090 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)CCCOC)C1 1041670239 FNJZUMQRPADOIW-GFCCVEGCSA-N 312.366 -0.859 30 20 DBED C=CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)[C@H](CC)OC)C1 1041913444 KNNKSLVKUNXFPD-NEPJUHHUSA-N 314.382 -0.308 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)c2ccc(C)nc2)C1 1042036097 XEICKGHSBJJMSO-UHFFFAOYSA-N 319.361 -0.104 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)[C@@H]2CCCCO2)C1 1042569488 WRFNHRHHSBIAHI-ZDUSSCGKSA-N 308.378 -0.096 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)[C@H]2CN(C)C[C@H]2C)C1 1042801874 XKMBVQDMQWNGPU-KGLIPLIRSA-N 321.421 -0.323 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)CCc2cnc[nH]2)C1 1043526605 YNCXIBVNZTYGNT-UHFFFAOYSA-N 318.377 -0.165 30 20 DBED CCn1cnc(C(=O)NCC2(O)CN(C(=O)C#CC3CC3)C2)c1 1044032925 SFBZSJDBOAUOHD-UHFFFAOYSA-N 316.361 -0.381 30 20 DBED C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@@H]1O 1044546716 FQLQQWMVIXJFLV-XEZLXBQYSA-N 317.349 -0.561 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)CC[C@H]2CCOC2)C1 1045539882 ARCZOWFBRQJXBP-NEPJUHHUSA-N 309.366 -0.348 30 20 DBED N#Cc1cnc(N[C@H]2C[C@H](CNC(=O)[C@@H]3CCC(=O)N3)C2)cn1 1046861925 KBCLAUUIFJJEJA-NHCYSSNCSA-N 314.349 -0.066 30 20 DBED Cc1nc(CC(=O)NCC2(O)CN(C(=O)[C@@H](C)C#N)C2)cs1 1046875687 OBOUOAXZTSBHBP-VIFPVBQESA-N 322.390 -0.157 30 20 DBED CN(C)C(=O)CN1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]c(C#N)c2)C1 1047353521 DABRBIZXGAVFQX-STQMWFEESA-N 319.365 -0.908 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3nc(C)nn3C2)C1 1047468316 CGVALNFSDYZWMP-IHRRRGAJSA-N 317.393 -0.714 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCN(C(C)=O)C2)C1 1047613121 VPYKNMIFXNAKNA-KKUMJFAQSA-N 307.394 -0.618 30 20 DBED C=C1CC(C)(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)CNC(C)=O)C2)C1 1048083985 LWWZKMAXRKIIBZ-STQMWFEESA-N 323.393 -0.491 30 20 DBED C=C(Br)CN1C[C@H]2CN(C(=O)C(N)=O)C[C@H]2C1 1049018187 AVQMKASNPJSNAG-DTORHVGOSA-N 302.172 -0.230 30 20 DBED C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)Cn1cnc(C(N)=O)n1 1049481728 JGXHBGRIBDCMLZ-NEPJUHHUSA-N 316.365 -0.925 30 20 DBED CNC(=O)NCC(=O)N[C@H](C)[C@H]1CCN(C(=O)C#CC2CC2)C1 1050677902 BLKSSEAZEBBFSF-YPMHNXCESA-N 320.393 -0.318 30 20 DBED N#CCN1CCOC[C@@H]1CNC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1051044786 QLAZUUVXYHUWQU-XDQVBPFNSA-N 309.366 -0.622 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1C 1053170430 DBMQMSCIAQZVFS-NEPJUHHUSA-N 318.381 -0.306 30 20 DBED C=CCN1CC2(C1)CN(C(=O)C(C)(C)S(C)(=O)=O)CCO2 1053454644 XRTMCKRVYBPKRU-UHFFFAOYSA-N 316.423 -0.091 30 20 DBED CC#CCN1CC2(CC[C@H](CNC(=O)[C@@H]3CCC(=O)NC3)O2)C1 1053621016 ZAQIZGFRQNXTMW-ZIAGYGMSSA-N 319.405 -0.115 30 20 DBED C#CCN1CC2(CC[C@H](CNC(=O)c3coc(C(N)=O)c3)O2)C1 1053638772 WJTZXNBKBXZQOX-GFCCVEGCSA-N 317.345 -0.025 30 20 DBED C[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1NCCN1C(=O)CCC1=O 1054628973 ODWJCYZCBLMIGC-JSGCOSHPSA-N 317.389 -0.015 30 20 DBED N#Cc1ccc(N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)Cn2cnnn2)cn1 1055282593 LUYBMZUOOGIPBK-BNOWGMLFSA-N 324.348 -0.134 30 20 DBED C=CCn1cc(C(=O)N2CCC[C@@](CO)(NC(C)=O)C2)nn1 1055674638 UKGQXEDWXITGOS-CQSZACIVSA-N 307.354 -0.433 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2CCCN(C(=O)CC(N)=O)[C@@H]2C1 1056635993 QZFUVJOBTSLPDJ-RWMBFGLXSA-N 321.377 -0.651 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)CSCC#N 1057026701 IOAZEBHWQDUGNG-UHFFFAOYSA-N 311.407 -0.016 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)COCCOC 1057218386 NWWWCGBXLVNYNT-UHFFFAOYSA-N 302.371 -0.447 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)[C@]1(C)CCC(=O)N1 1057524726 OXBDPTDSDHFPNG-INIZCTEOSA-N 323.393 -0.748 30 20 DBED C=CCn1cc(C(=O)N(CCO)CCNC(=O)[C@@H]2C[C@H]2C)nn1 1057626486 SHRWSJWVZXJASL-VXGBXAGGSA-N 321.381 -0.329 30 20 DBED C=CCO[C@H](C)C(=O)N(CCO)CCNC(=O)[C@@H](C)OC 1057922227 ZQOZEVFMBHYCNK-VXGBXAGGSA-N 302.371 -0.451 30 20 DBED N#Cc1nccc(N2CCC(NC(=O)[C@H]3CCNC3=O)CC2)n1 1057924756 DADLHQNJIOHNJP-NSHDSACASA-N 314.349 -0.431 30 20 DBED N#Cc1ccc(N2CCC[C@@H](NC(=O)[C@H]3COCCO3)C2)nn1 1058120908 ZFKMGHZGOQMISF-CHWSQXEVSA-N 317.349 -0.151 30 20 DBED C=CC(C)(C)C(=O)N(CCO)CCNC(=O)c1cncnc1O 1058303971 POOSJHIUJYZBBD-UHFFFAOYSA-N 322.365 -0.055 30 20 DBED COc1cncc(C(=O)NCCN(CCO)C(=O)[C@H](C)C#N)n1 1058659081 SIQVIRMOGJIQML-SNVBAGLBSA-N 321.337 -0.804 30 20 DBED N#Cc1nc(=N[C@H]2CCN(C(=O)C3(C(N)=O)CC3)C2)cc[nH]1 1059039416 FRGGNMKLQWVETQ-VIFPVBQESA-N 300.322 -0.952 30 20 DBED C=CCOCC(=O)NCC[C@@H]1CCN(C(=O)Cn2cnnn2)C1 1059129986 TXPHWCYRJYXRGJ-GFCCVEGCSA-N 322.369 -0.770 30 20 DBED N#Cc1ccc(N[C@H]2C[C@H](NC(=O)[C@H]3CCNC3=O)C2)nn1 1059364855 NBNRLHQLPJTEPK-DCAQKATOSA-N 300.322 -0.457 30 20 DBED CN1CC[C@H](C(=O)N2CC[C@@H](CN=c3cc[nH]c(C#N)n3)C2)C1 1060879712 LCJVFYJSLWABBL-STQMWFEESA-N 314.393 -0.018 30 20 DBED C=C[C@@H](CC)CC(=O)N1CCOC[C@@H]1CNC(=O)CC(N)=O 1061441893 AJGOCFQYLWIAKC-RYUDHWBXSA-N 311.382 -0.192 30 20 DBED CN1CCC[C@H]1C(=O)N1CCOC[C@H]1CNC(=O)C#CC1CC1 1061569673 JNZLAYLKXXHKBI-CABCVRRESA-N 319.405 -0.162 30 20 DBED C#CCOCCC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1CCCO1 1061581058 KAIYFWXAQSIVIA-KGLIPLIRSA-N 324.377 -0.451 30 20 DBED C=CCCC(=O)N1CCOC[C@H]1CNC(=O)[C@H]1CCN(C)C1=O 1061783795 ANOHADMTRTXBID-CHWSQXEVSA-N 323.393 -0.226 30 20 DBED C=C[C@H](CC)CC(=O)NC[C@H]1COCCN1C(=O)CC(N)=O 1061797781 QGUOMEZKKCKSTK-NEPJUHHUSA-N 311.382 -0.192 30 20 DBED C=CCCC(=O)N1CCOC[C@@H]1CNC(=O)[C@H]1C[C@H]1C(N)=O 1061906549 YRVFKORAPLRJSD-TUAOUCFPSA-N 309.366 -0.582 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)[C@H]2CCC(=O)NC2)CCC1 1063574776 GJHNSZNDNJUDDH-QWRGUYRKSA-N 306.366 -0.173 30 20 DBED N#Cc1nccc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)c2cc[n+]([O-])cc2)n1 1064217500 YQTQYAJJFLOBMO-TYNCELHUSA-N 322.328 -0.011 30 20 DBED Cn1ncc(C(=O)N[C@@H]2[C@H]3C[C@H]2N(c2ccnc(C#N)n2)C3)n1 1064274961 IUGZXKFXEQCNKT-IYYTYJHQSA-N 310.321 -0.516 30 20 DBED C=CCOCC(=O)N1CCO[C@H](CNC(=O)COCCC)C1 1064977144 UEDNIQLLVZXHPB-CYBMUJFWSA-N 314.382 -0.041 30 20 DBED Cc1[nH]nc(C(=O)N2CCO[C@H](CNC(=O)[C@@H](C)C#N)C2)c1O 1065048949 UOJZFNYFSANHQA-WCBMZHEXSA-N 321.337 -0.459 30 20 DBED COC(=O)NCC(=O)NC[C@H]1CN(C(=O)C#CC2CC2)CCO1 1065134688 LBWVJGJVHDXRQB-LBPRGKRZSA-N 323.349 -0.901 30 20 DBED C#CCOCCC(=O)N1CCO[C@H](CNC(=O)c2cnon2)C1 1065151679 BHUFYORUGSALSX-LLVKDONJSA-N 322.321 -0.933 30 20 DBED C[C@]1(NC(=O)[C@@H]2COCCO2)CCN(c2nccnc2C#N)C1 1065210251 LUQWEHUHGYOYDF-WFASDCNBSA-N 317.349 -0.151 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H]1CN(C(=O)c2cnon2)CCO1 1065509850 JKYSGOLWKOLVTR-WDEREUQCSA-N 322.321 -0.935 30 20 DBED C=CCCO[C@@H](C)C(=O)N[C@H]1CCCN(C(=O)C(N)=O)CC1 1065956875 SQFNPACYNHXHIZ-RYUDHWBXSA-N 311.382 -0.050 30 20 DBED N#Cc1cnc(N2C[C@H]3CN(C(=O)C(N)=O)C[C@H]3C2)c(F)c1 1066058413 REVGESHEHAWYAT-AOOOYVTPSA-N 303.297 -0.528 30 20 DBED N#Cc1cnc(N2C[C@H]3CCN(C(=O)C(N)=O)CC[C@H]3C2)cn1 1067458468 GYUJHGBSTGFLEF-PHIMTYICSA-N 314.349 -0.492 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC2(C[C@H](NC(=O)COC)CO2)C1 1068655141 YYLQAHORDLBJMH-RYUDHWBXSA-N 312.366 -0.290 30 20 DBED C=CCCC(=O)N1CC2(C[C@@H](NC(=O)CNC(C)=O)CO2)C1 1068661521 JWEUQGVJRDKGEE-GFCCVEGCSA-N 309.366 -0.425 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1COC2(C1)CN(C(=O)CC(=O)N(C)C)C2 1069002795 HSCUZVIKDMJVJX-MNOVXSKESA-N 322.365 -0.890 30 20 DBED CCCN(C)CC(=O)N1CC2(C[C@H](NC(=O)[C@H](C)C#N)CO2)C1 1069002836 HXIXBTCHMNSKFH-OLZOCXBDSA-N 322.409 -0.026 30 20 DBED C=CCCOCC(=O)N1CC[C@@]2(CCCN(C(=O)C(N)=O)C2)C1 1069775730 DUVHZGHXPPAJGP-INIZCTEOSA-N 323.393 -0.095 30 20 DBED Cn1ncc(C(=O)NCc2cnn3c2CN(CC#N)CC3)c1N 1069858849 RJPPHMFKGFLFRP-UHFFFAOYSA-N 314.353 -0.532 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)c2ccnn2C)CCOCC1 1070026298 ISWUBDBJFSBOMZ-NSHDSACASA-N 319.365 -0.025 30 20 DBED N#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)Cn2ccnc2)C1 1070108305 WDFGOOJJBHUOKF-NEPJUHHUSA-N 300.326 -0.960 30 20 DBED C#CCN[C@@H]1CN(C(=O)C2=COCCC2)C[C@@H]1n1ccnn1 1070156212 WEHVFCJGXLQRMX-KGLIPLIRSA-N 301.350 -0.053 30 20 DBED C=C(Cl)CN[C@@H]1CN(C(=O)CC(N)=O)C[C@@H]1n1ccnn1 1070162186 VPVCFXGXGGBHSE-ZJUUUORDSA-N 312.761 -0.753 30 20 DBED C=CCOCC(=O)N[C@@H]1CCCN(C(=O)CNC(=O)CC)C1 1070556116 AMLJFZVONANNCU-GFCCVEGCSA-N 311.382 -0.178 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)[C@]4(C)CCC(=O)N4)C[C@@]3(C1)O2 1070847836 KMDIFLWROYPLFY-UTJXIGIESA-N 317.389 -0.410 30 20 DBED C#CCCN1CCNC(=O)CCN(C(=O)[C@H](O)C(C)C)CC1 1070960907 AYPWZNPBWORMQW-OAHLLOKOSA-N 309.410 -0.323 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2C)C1 1071073935 GDRXOKNHUPYTBR-JHJVBQTASA-N 305.378 -0.111 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CCCN(C(=O)C2(C(N)=O)CC2)C1 1071215082 PXRSPXBQIGKDKA-IAQYHMDHSA-N 323.393 -0.314 30 20 DBED C=CCCOCC(=O)N[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 1071353113 DIJNNRKUABSHOL-UPJWGTAASA-N 323.393 -0.192 30 20 DBED C#CCCN1C[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)CC[C@@H]1C 1071517043 DQSNLZJHKHXHMT-RYUDHWBXSA-N 318.381 -0.631 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(CCN([C@H](C)C(N)=O)C2)C1 1072994718 OPAICEKRVIOZCX-UPJWGTAASA-N 307.394 -0.014 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(N2CCN(C(=O)COC)CC2)C1 1073525998 KQGRYMLTMFYLGT-CYBMUJFWSA-N 323.393 -0.974 30 20 DBED CCN1CCOC[C@H]1C(=O)NC[C@@H]1CN(CC#N)CCCO1 1073669874 ABTDBQHCGZEBGV-KGLIPLIRSA-N 310.398 -0.562 30 20 DBED C#CCOCCC(=O)NCC[C@H](C)NC(=O)Cc1nonc1C 1076505053 FXDMDHKMZJVSJZ-NSHDSACASA-N 322.365 -0.029 30 20 DBED C=CCOc1ccc(C(=O)N[C@@H]2CN(CC(N)=O)C[C@H]2O)cc1 1077245916 LIJVFTVPCRSSRK-ZIAGYGMSSA-N 319.361 -0.488 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2c[nH]c3ccccc3c2=O)C1 1077288053 BNBTUSOPTNPROR-ZIAGYGMSSA-N 312.329 -0.173 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(CCn2cccn2)C[C@H]1O 1077699096 QGBTULLKBBVIOI-TUVASFSCSA-N 320.393 -0.365 30 20 DBED CN(C)C(=O)c1cccc(C(=O)N[C@@H]2CN(CC#N)C[C@H]2O)c1 1078021744 JJQYJZUNRSJPRI-ZIAGYGMSSA-N 316.361 -0.313 30 20 DBED CN1CC(=O)N(CC(=O)N[C@H]2C[C@@H](NCC#N)C23CCC3)C1=O 1078802614 GDLSLHBBXZBUKJ-MNOVXSKESA-N 319.365 -0.579 30 20 DBED CCN(C(=O)C#CC1CC1)C1CN(C(=O)c2cn(C)nn2)C1 1079736788 KHEGJXNTNMULJV-UHFFFAOYSA-N 301.350 -0.099 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H](O)[C@H](CNC(=O)CC(C)C)C1 1081201916 IQYKKJRSNVXHAC-OLZOCXBDSA-N 323.393 -0.893 30 20 DBED C#CCOCCC(=O)NC[C@H]1CN(C(=O)c2cc[nH]c2)C[C@H]1O 1081488826 MLJUYJQPDSUUFF-UONOGXRCSA-N 319.361 -0.396 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CCCCN1C(=O)[C@@H]1CNC(=O)N1 1082260281 PSJJPMXKSKMOHH-STQMWFEESA-N 320.393 -0.176 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)C[C@@H]1CCNC1=O 1083103624 BXYLBBQUHKDDOU-MELADBBJSA-N 305.378 -0.553 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)c2cc3n(n2)CCCO3)C1 1083631189 IGRMWKCNIAFRDV-OLZOCXBDSA-N 304.350 -0.536 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2cc(C)nc3c2cnn3C)C1 1083894602 NJOOMSJFTDQWIW-KGLIPLIRSA-N 313.361 -0.315 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)C(=O)N2CCC[C@@H]2CC)C1 1083929990 SLTONYZEIHLTEG-MJBXVCDLSA-N 307.394 -0.428 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)c2cccc(C(=O)NC)c2)C1 1084074925 WLESQSSNPGNFOL-CABCVRRESA-N 315.373 -0.156 30 20 DBED C=CCN[C@@H]1CCCC[C@H]1NC(=O)CN1C(=O)C(=O)N(C)C1=O 1085352134 SBLFTIBKZIXEAH-GHMZBOCLSA-N 322.365 -0.390 30 20 DBED C#CCN[C@@H]1CN(C(=O)Cc2nc[nH]n2)C[C@H]1c1cnn(C)c1 1087005301 WLXRHMCVGCIYON-QWHCGFSZSA-N 313.365 -0.702 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2ccc3c(c2)nnn3C)[C@H](O)C1 1090361690 QPCCBOGKSILPRV-IUODEOHRSA-N 313.361 -0.234 30 20 DBED C=CCN1CC[C@H](NC(=O)c2cn(C)nc2COC)[C@H](O)C1 1090372590 WDFREPNPWFLTAE-GXTWGEPZSA-N 308.382 -0.083 30 20 DBED C=CCN1CC[C@@H](NC(=O)c2nc(O)nc(O)c2OC)[C@H](O)C1 1090717904 AGXFSJUGJMUWJG-RKDXNWHRSA-N 324.337 -0.753 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)c2cn(C)c(=O)n2C)[C@@H](O)C1 1090834667 YKQNOLUVEXQEFJ-YPMHNXCESA-N 308.382 -0.535 30 20 DBED N#Cc1nc(=NCCNC(=O)C2CCN(C(N)=O)CC2)cc[nH]1 1093629176 HEKFDKCUTBIQIP-UHFFFAOYSA-N 317.353 -0.911 30 20 DBED Cc1cc(C#N)nc(NCCNC(=O)[C@@]2(C)CCNC2=O)n1 1094135551 VUYDWYFBCNXPQQ-AWEZNQCLSA-N 302.338 -0.289 30 20 DBED CNC(=O)NCCC(=O)NCCCNc1cncc(C#N)n1 1094393348 SUXUPNAGNXOWSN-UHFFFAOYSA-N 305.342 -0.414 30 20 DBED N#CCN1CC(N2C[C@H](NC(=O)[C@@H]3CCC3(F)F)CC2=O)C1 1094748952 GXQGNVITNIXHPX-KOLCDFICSA-N 312.320 -0.043 30 20 DBED C=C1CC(C)(C(=O)N[C@H]2CC(=O)N(C3CN(CCO)C3)C2)C1 1094781898 CTMNCVLCIGTAPH-LBPRGKRZSA-N 307.394 -0.264 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)CC3=CCOCC3)CC2=O)C1 1094782027 HUBNYNDKUCEWOQ-AWEZNQCLSA-N 317.389 -0.242 30 20 DBED C[C@H](CC(N)=O)C(=O)NC1CCN(c2cncc(C#N)n2)CC1 1095438626 ZDYKTBCHYIZPSC-SNVBAGLBSA-N 316.365 -0.055 30 20 DBED N#Cc1cnc(N2CCC[C@H](NC(=O)CNC(N)=O)C2)c(F)c1 1096138560 WSAIPYFUMDYHIR-JTQLQIEISA-N 320.328 -0.154 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCN(c2ccncc2C#N)C1 1096359545 CRETVSYVXOQDES-CYBMUJFWSA-N 311.345 -0.212 30 20 DBED C[C@H](CC(N)=O)C(=O)N[C@H]1CCN(c2ccnc(C#N)n2)C1 1096457526 KGTHLEMUOTYSKO-ZJUUUORDSA-N 302.338 -0.445 30 20 DBED C[C@@H](CNC(=O)CC1OCCCO1)N=c1cc[nH]c(C#N)n1 1097773606 HWANXWYOEJOCAR-JTQLQIEISA-N 305.338 -0.160 30 20 DBED C#CCN(CCO)C1CCN(C(=O)[C@@H]2CC(=O)N(CC)C2)CC1 1098384485 WZYZTQYNBNDXDQ-CQSZACIVSA-N 321.421 -0.227 30 20 DBED C[C@@H](CCNC(=O)C1(C(N)=O)CC1)Nc1cncc(C#N)n1 1099658732 WOVYSWJWCMPKEH-VIFPVBQESA-N 302.338 -0.080 30 20 DBED CCn1cc(C(=O)N[C@H]2CCN(CC#CCOC)C[C@@H]2O)cn1 1099737999 HFUPCOHDPYIBBP-GJZGRUSLSA-N 320.393 -0.282 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)CN(C)C(=O)C2CC2)[C@@H](O)C1 1099860796 IFXBBBZVLXOEIU-KBPBESRZSA-N 309.410 -0.018 30 20 DBED C=C(C)C(C)(C)C(=O)N[C@@H]1CCN(CC(=O)NCC#N)C[C@@H]1O 1099947532 XDABOKSAWLFKAG-OLZOCXBDSA-N 322.409 -0.220 30 20 DBED CN(CCNC(=O)C[C@H]1CCC(=O)N1C)c1cnc(C#N)cn1 1100254102 HJRZJISTLPDPMG-GFCCVEGCSA-N 316.365 -0.088 30 20 DBED C#CCOCCC(=O)NCC1CC(NCc2cnn(C)n2)C1 1100325227 XYEYPEDDCVURJK-UHFFFAOYSA-N 305.382 -0.161 30 20 DBED C=CCNC1CC(CNC(=O)CN2C(=O)C(=O)N(C)C2=O)C1 1100724554 WLQSWSXYBTZHDX-UHFFFAOYSA-N 308.338 -0.923 30 20 DBED CN(CCNc1ccc(C#N)nn1)C(=O)[C@@H]1CCCN1C(N)=O 1101674019 QRERLCLQNRTTNC-NSHDSACASA-N 317.353 -0.238 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(C#N)n1 1102547818 PYIQVZBNIKXRGC-STQMWFEESA-N 324.344 -0.723 30 20 DBED C=CCOCCN1C[C@@H](C)[C@H](CNC(=O)CCNC(N)=O)C1 1102563353 UZPNCKWBLWPROM-CHWSQXEVSA-N 312.414 -0.069 30 20 DBED C#CCCN1C[C@@H](C)[C@H](CCNC(=O)Cn2c(O)nnc2O)C1 1103679299 OERUATVDMYHRDJ-VXGBXAGGSA-N 321.381 -0.213 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)C[C@@H](C)NC(N)=O 1104099780 QLLMGSICZDIGPV-NXEZZACHSA-N 319.369 -0.619 30 20 DBED C[C@@H](CN=c1cc[nH]cc1C#N)CNC(=O)[C@@H]1CN(C)C(=O)N1 1104177612 ZZOJMNYWRLOMRP-GWCFXTLKSA-N 316.365 -0.437 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](C)N(C)C(=O)Cn2ncnn2)n1 1104688308 DPIUFSLMNJSYGB-SNVBAGLBSA-N 315.341 -0.398 30 20 DBED CN(CCN(C)c1ccc(C#N)cn1)C(=O)c1nnn(C)n1 1105534827 FMNNCCBHPINIHI-UHFFFAOYSA-N 300.326 -0.315 30 20 DBED CC#CCN1CC(OC2CCN(C(=O)CNC(=O)NC)CC2)C1 1105713727 RLCSPSBGAGUPKL-UHFFFAOYSA-N 322.409 -0.370 30 20 DBED CN1CCC(C(=O)NC[C@H](O)CNc2nccnc2C#N)CC1 1105882932 NPSPYOXABUNFOM-GFCCVEGCSA-N 318.381 -0.421 30 20 DBED C=CCCOCC(=O)NC[C@@H](O)CNc1ccc(C#N)nn1 1105890346 PKJYXPHIUMCYJV-LBPRGKRZSA-N 305.338 -0.170 30 20 DBED C[C@]1(C(=O)NC[C@@H](O)CN=c2cc[nH]c(C#N)n2)CCOC1 1105939708 YSEVTNVOBSCKOW-HZMBPMFUSA-N 305.338 -0.914 30 20 DBED Cc1cnoc1C(=O)NC[C@H](O)CNc1cncc(C#N)n1 1105939745 ZOLKTFAVIBDVME-SNVBAGLBSA-N 302.294 -0.153 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H](O)CNC(=O)C1(F)CCOCC1 1106150612 YXXLHYUYGKIIEO-GFCCVEGCSA-N 322.340 -0.217 30 20 DBED CS(=O)(=O)CC(=O)NC/C=C\CNc1ccc(C#N)nn1 1107104777 DXIAHKDWCJIBCL-IHWYPQMZSA-N 309.351 -0.523 30 20 DBED CC#CCN1CCO[C@@](C)(CNC(=O)Cn2cnnc2O)C1 1107886577 MDMLZVPCWXJOSA-AWEZNQCLSA-N 307.354 -0.786 30 20 DBED C=CCn1cc(C(=O)NC[C@]2(C)CN(CCOC)CCO2)nn1 1108265535 FVKTYSUOGBBSHH-OAHLLOKOSA-N 323.397 -0.069 30 20 DBED CCN1CCO[C@H](C(=O)N[C@@H](C)CNc2nccnc2C#N)C1 1108396626 VPZPHVDIOWJNAY-AAEUAGOBSA-N 318.381 -0.014 30 20 DBED CCO[C@@H](C(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1)C(C)C 1108544611 GXRJMJCZPZLWSG-SWLSCSKDSA-N 322.409 -0.028 30 20 DBED CN(CCCNc1cncc(C#N)n1)C(=O)Cn1cnnc1O 1109416928 FHOKMVRROYWHAZ-UHFFFAOYSA-N 316.325 -0.394 30 20 DBED C=C(C)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C[C@H](NC(C)=O)C(N)=O 1109808589 NZPRLLUVQCLHGE-RFGFWPKPSA-N 322.409 -0.336 30 20 DBED C[C@@H](CC(N)=O)C(=O)NCC1(N=c2cc[nH]cc2C#N)CC1 1110298059 DVJFBTIHVLYXPH-JTQLQIEISA-N 301.350 -0.053 30 20 DBED CC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCS(=O)(=O)NC 1110557448 QMHGAKPDZXVENC-UPJWGTAASA-N 313.423 -0.330 30 20 DBED C[C@H](NC(N)=O)C(=O)N[C@@]1(C)CCN(c2ccc(C#N)nn2)C1 1110745507 LUGXNPLBVHFZLS-XPTSAGLGSA-N 317.353 -0.510 30 20 DBED CC(C)[C@@H](O)C(=O)N(C)[C@H]1CN(c2ncccc2C#N)C[C@@H]1O 1111181175 ICVGQARRNBCDBA-MELADBBJSA-N 318.377 -0.022 30 20 DBED C=CCCO[C@@H](C)C(=O)N1CCN([C@@H]2CCC(=O)NC2=O)CC1 1112676597 QXRRBHBPROWRFT-QWHCGFSZSA-N 323.393 -0.083 30 20 DBED COCCOCC(=O)NC1CC(CN=c2cc[nH]c(C#N)n2)C1 1112824518 SVEFCTJYQMZTJU-UHFFFAOYSA-N 319.365 -0.260 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)c2ccn(C)n2)CC1 1113631638 DHWPCHCJRULZBO-GFCCVEGCSA-N 305.382 -0.131 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)CN(C)C3CCC3)[C@@H]2C1 1114412414 XRCUXZPJWVODCZ-ZIAGYGMSSA-N 320.437 -0.181 30 20 DBED CCOCC1(C(=O)NC2[C@H]3CN(CC(=O)NCC#N)C[C@H]23)CC1 1114490422 BSNBWFGEIGILGK-RYUDHWBXSA-N 320.393 -0.511 30 20 DBED N#Cc1nccc(N2C[C@@H]3C(CNC(=O)Cc4nc[nH]n4)[C@H]3C2)n1 1114570890 AGXZTKFDZCWNSB-GHMZBOCLSA-N 324.348 -0.493 30 20 DBED CC#CCN1C[C@H]2C(NC(=O)COCc3ncnn3C)[C@@H]2C1 1115047574 YSYFQRZYOAFALL-VXGBXAGGSA-N 303.366 -0.599 30 20 DBED C=CCN1C[C@H]2[C@H](NC(=O)CCNC(=O)[C@H]3CCCO3)[C@H]2C1 1115349964 KXOKDZRWDOVUFL-COMQUAJESA-N 307.394 -0.096 30 20 DBED CC(=O)N[C@H](C)C(=O)NC[C@@H](CO)Nc1nc(C)ccc1C#N 1121010127 LHJFSTUOJHXYLB-MFKMUULPSA-N 319.365 -0.325 30 20 DBED N#Cc1cccnc1N[C@H](CO)CNC(=O)CNC(=O)C1CC1 1121100599 VOYNFSIZMMSTHG-LBPRGKRZSA-N 317.349 -0.632 30 20 DBED COCC(=O)N[C@H](C)C(=O)NC1CC2(CC(NCC#N)C2)C1 1121155642 PGYJAEOFEBZBTN-VQZBUAOQSA-N 308.382 -0.322 30 20 DBED C[C@@H](C(=O)NC[C@@H](CO)Nc1ccc(C#N)nn1)n1cncn1 1121346086 JYGOMSSWMTZARD-ONGXEEELSA-N 316.325 -0.910 30 20 DBED Cn1cnc(C(=O)NC[C@H](CO)Nc2ccc(C#N)cn2)n1 1121431921 GMUAKLZWVUMVJE-SNVBAGLBSA-N 301.310 -0.715 30 20 DBED C=CCO[C@H](C)C(=O)NC[C@@H](CO)N=c1cc[nH]cc1C#N 1121748950 IPUKJBIPHZBOPX-YPMHNXCESA-N 304.350 -0.145 30 20 DBED Cc1nonc1CC(=O)NC[C@H](CO)Nc1cncc(C#N)n1 1121956745 WLXSDGNNBVYLHF-SNVBAGLBSA-N 317.309 -0.829 30 20 DBED N#Cc1cccnc1N[C@@H](CO)CNC(=O)Cc1nc[nH]n1 1121994777 RQWUVESPWAUOBA-SNVBAGLBSA-N 301.310 -0.797 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)c1ccncc1 1122604434 BBMWVEKDHYVACY-NSHDSACASA-N 319.365 -0.199 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)[C@@]23COC[C@@H]2C3)cn1 1122759634 DLOAOJSNMILBCN-ZBINZKHDSA-N 302.334 -0.121 30 20 DBED Cc1cc(C(=O)N(C)C[C@@H](O)CN=c2cc[nH]cc2C#N)n[nH]1 1124098371 XMZKLWRMBVGPJK-LBPRGKRZSA-N 314.349 -0.048 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]cc1C#N)C(=O)C1=CCOCC1 1124256366 JKGZOMZBIMVWGP-CQSZACIVSA-N 316.361 -0.047 30 20 DBED CN(C[C@@H](O)CNc1ccc(C#N)nc1)C(=O)[C@@H]1CCC(=O)N1 1124427902 JBSNYXTWWVVWJT-STQMWFEESA-N 317.349 -0.537 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C[C@H](O)CNc1nccnc1C#N 1124520424 SLVUXHYTELQPDH-VXGBXAGGSA-N 317.349 -0.382 30 20 DBED COC[C@H](C)C(=O)N(C)C[C@H](O)CN(C)c1nccnc1C#N 1124988081 GOEIUCLCWUMUIC-NWDGAFQWSA-N 321.381 -0.114 30 20 DBED N#Cc1cc(C(=O)NCCNCC(=O)Nc2nncs2)c[nH]1 1125988552 YWXYIGTZKRBRIF-UHFFFAOYSA-N 319.350 -0.304 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCNCc1cc(=O)n2nccc2[nH]1 1126365644 MJFDEDMUOVMVPU-OAHLLOKOSA-N 319.365 -0.445 30 20 DBED C#CCCN1CCn2ncc(CNC(=O)CN(C)C(C)=O)c2C1 1128217752 DIZLSVJOGFVWET-UHFFFAOYSA-N 317.393 -0.184 30 20 DBED CC(C)(C(N)=O)C(=O)NCc1cnn2c1CN(CC#N)CC2 1128387207 QRAUCTWFBZQMTN-UHFFFAOYSA-N 304.354 -0.650 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1 1128979843 BYIHHXXZUZCSPV-XQQFMLRXSA-N 302.338 -0.819 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)Cc1ncc(CC)[nH]1 1129831452 VKRUMQYNKCEPCW-LLVKDONJSA-N 305.382 -0.642 30 20 DBED N#CCN1CC[C@@H](c2n[nH]cc2CNC(=O)Cc2nc[nH]n2)C1 1130438374 KBZQMXMLQSZSIK-SNVBAGLBSA-N 314.353 -0.300 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CCc2cncn2C1 1130488093 MRINXHHKCYCLQZ-QWHCGFSZSA-N 319.409 -0.158 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@@]12CCCC[C@@H]1OCC2 1131211292 BZQNJOHTVZOOJN-XJKSGUPXSA-N 307.394 -0.209 30 20 DBED C=C(C)CN1C[C@@H](NC(=O)CNC(=O)CNC(C)=O)CC[C@H]1C 1132131773 JIVRQORIJRITRX-OCCSQVGLSA-N 324.425 -0.216 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)c2cccc(=O)n2C)C1=O 1133642950 CRKAXAPTWKQCNG-LBPRGKRZSA-N 318.377 -0.508 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CCCc2nc[nH]c21 1133667520 HAEOWQPAMYPEPY-VXGBXAGGSA-N 317.393 -0.327 30 20 DBED COCCOCC(=O)N[C@@H](C)C[C@H](C)NCC(=O)NCC#N 1133926312 GMWGUGPHKBYNOL-RYUDHWBXSA-N 314.386 -0.838 30 20 DBED COCC#CCN[C@@H](C)C[C@H](C)NC(=O)CN1CCOCC1 1134128059 UUSSXJVDXVJAQY-GJZGRUSLSA-N 311.426 -0.159 30 20 DBED Cc1ncc(C(=O)NCCNCC(=O)NCC#N)c(C(C)C)n1 1134752050 SVEJNFDRAXOPIE-UHFFFAOYSA-N 318.381 -0.132 30 20 DBED C[C@H](C[C@@H](C)NC(=O)Cc1cncn1C)NCC(=O)NCC#N 1135944621 NGIUKJZWMFIWIL-VXGBXAGGSA-N 320.397 -0.525 30 20 DBED C#CCOCCC(=O)N1CC2(CCN(Cc3nnnn3C)C2)C1 1147530706 PYZHAUWJCAPJAQ-UHFFFAOYSA-N 318.381 -0.716 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)C12CCN(CC1)C2 1148000309 ONILTJDAVLMWNF-UHFFFAOYSA-N 320.437 -0.011 30 20 DBED C=CCN1CCCO[C@@H](CNC(=O)CCS(=O)(=O)NC)C1 1149715245 QWVKXVAPEPKBHB-LBPRGKRZSA-N 319.427 -0.681 30 20 DBED CS(=O)(=O)CCC(=O)NC[C@@H]1CN(CC#N)CCCO1 1149904011 PHAOEMIFXGBCHG-LLVKDONJSA-N 303.384 -0.848 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)CCCn1cccn1 1151440876 DKBGMCHGDKVHPR-ZDUSSCGKSA-N 305.382 -0.493 30 20 DBED CCN(CC#N)[C@H](C)CNC(=O)[C@H]1CCc2nnc(O)n2C1 1154074341 NCAJNNBWUVNQCU-MNOVXSKESA-N 306.370 -0.104 30 20 DBED CS(=O)(=O)NCCNCCCNC(=O)c1ccc(C#N)[nH]1 1156691470 QZHIKUUFNCEWKV-UHFFFAOYSA-N 313.383 -0.855 30 20 DBED C#CCNC(=O)CC(=O)NCCCNCc1conc1CC 1156857114 CVDSLQOUIMIORP-UHFFFAOYSA-N 306.366 -0.028 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1ncn(C(C)(C)C)n1 1166616435 FXQAOAUGGKNZFD-UHFFFAOYSA-N 320.397 -0.508 30 20 DBED CN(C)S(=O)(=O)CCC(=O)NCCC1(CNCC#N)CC1 1168290807 JMUOPFOMLVHELX-UHFFFAOYSA-N 316.427 -0.332 30 20 DBED C[C@@H](CCCCNCC(=O)NCC#N)NC(=O)c1cnn[nH]1 1171660023 XHEJTNUQWRNZFB-JTQLQIEISA-N 307.358 -0.677 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@H]1Cc2cccnc2C1 1174746452 UUHQPNITHLKQIX-AWEZNQCLSA-N 314.389 -0.358 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)CNC(=O)CC)[C@H]1C 1178359674 HLTVOGZXMQYGEK-RYUDHWBXSA-N 310.398 -0.606 30 20 DBED COCC#CCN[C@H]1CCN(C(=O)CN2CCCNC2=O)[C@H]1C 1179055763 BGBLKGVLPOPETN-KBPBESRZSA-N 322.409 -0.370 30 20 DBED N#CCNCCCCCCNC(=O)c1cn(CC(N)=O)nn1 1180369620 OGOIKIQRLCRZBE-UHFFFAOYSA-N 307.358 -0.833 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2cc[n+]([O-])cc2)C1 1180780497 PTIMSDZKMURGFK-GXTWGEPZSA-N 316.361 -0.738 30 20 DBED C=CCOCCNC[C@H]1CCN(C(=O)Cn2ncnn2)C[C@@H]1C 1184399892 PGZRHMMDJOYBAQ-UONOGXRCSA-N 322.413 -0.050 30 20 DBED C#CCNC[C@H]1CN(C(=O)c2cnnn2C)CC12CCOCC2 1186368960 ZDLDONDTLFSDPH-ZDUSSCGKSA-N 317.393 -0.093 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)Cn2ccnc2C)C1 1187841418 AOYFLZPRNNJHGO-CYBMUJFWSA-N 303.366 -0.869 30 20 DBED C#CCOCCC(=O)N1CC[C@H]2CN(Cc3nnnn3C)C[C@H]21 1187864608 DRJIKKIDAJBCPD-QWHCGFSZSA-N 318.381 -0.717 30 20 DBED COCC#CCN(C)[C@@H]1CCN(C(=O)Cn2cnnc2O)C1 1189736691 WLHUXYWRXTWICQ-GFCCVEGCSA-N 307.354 -0.834 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2nccc(C)n2)C1 1189891344 BNGLOGTXCYDLOH-ZDUSSCGKSA-N 315.377 -0.319 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)[C@@H](C)OCC=C)[C@@H]2C1 1190441676 YSEVCJLOLMPDSM-QLFBSQMISA-N 319.405 -0.140 30 20 DBED Cc1n[nH]cc1C(=O)N1CC[C@H](N(C)CC(=O)NCC#N)C1 1191639821 HEGZSYONVLRXFP-NSHDSACASA-N 304.354 -0.496 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2[nH]nnc2C)C1 1191667779 ZDDMUBJNGFRCKP-LLVKDONJSA-N 306.370 -0.438 30 20 DBED C=CCOCC(=O)N[C@@H]1CN([C@@H](C)c2nc(C)no2)C[C@H]1O 1191756118 RRGSAOGWCVZSJM-MVWJERBFSA-N 310.354 -0.197 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2ccns2)C[C@H]1O 1192890766 CIEMHGLSAWWETD-RAIGVLPGSA-N 309.391 -0.157 30 20 DBED C=C(C)CN1CCCN(C(=O)CNS(=O)(=O)NC)CC1 1196649036 PFORLUQGQGTDFM-UHFFFAOYSA-N 304.416 -0.849 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)CCCN2C(=O)CNC2=O)C1 1198500072 GCKJRUIPUAIKIH-VXGBXAGGSA-N 324.381 -0.944 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2cnns2)C[C@H]1O 1199317712 ANFQAECMUFKOMC-MVWJERBFSA-N 312.395 -0.210 30 20 DBED C#CCNC(=O)CNC[C@H]1CN(C(=O)C(C)(C)F)CCCO1 1199691584 ZGLGPEMJLSQPER-LBPRGKRZSA-N 313.373 -0.309 30 20 DBED C#CCOCCC(=O)N1CCCO[C@@H](CN[C@@H]2CCNC2=O)C1 1200499845 CDVWGOSRPGMQHS-UONOGXRCSA-N 323.393 -0.878 30 20 DBED Cc1nc(C(=O)N2CCCO[C@H](CNCC#N)C2)c(=O)[nH]c1C 1200788249 YLOLLBKTLIZQLZ-GFCCVEGCSA-N 319.365 -0.269 30 20 DBED C=CCNC(=O)CN[C@@H]1C[C@H](NC(=O)CNC(C)=O)C12CCC2 1202344112 YIOVPYKHUZYSRF-OLZOCXBDSA-N 322.409 -0.558 30 20 DBED COCC#CCN1C[C@@H](NC(=O)C[C@H]2CCN(C)C2=O)[C@H](C)C1 1207659098 HWMMOBCUMQYQSO-RBSFLKMASA-N 321.421 -0.059 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)c2nccnc2N)C1 1207704276 CBXROYUIUYGKDK-NSHDSACASA-N 316.365 -0.998 30 20 DBED Cc1ccnn1CC(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1208970799 GPQIKLXWPIUGMH-DGCLKSJQSA-N 318.381 -0.732 30 20 DBED C=CCCN[C@@H]1CCCN(C(=O)[C@@H](CCC(N)=O)NC(C)=O)C1 1210154162 HWOVBOOJJBREJU-ZIAGYGMSSA-N 324.425 -0.087 30 20 DBED N#CCNC(=O)CN[C@H]1CCCN(C(=O)c2ccc(O)nc2)C1 1210919875 OVNQWGQQMJXDIP-LBPRGKRZSA-N 317.349 -0.379 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)c2cnn(C)c2C)C1 1219180996 YWKJWEBWDSLRTB-KGLIPLIRSA-N 306.366 -0.847 30 20 DBED C=CCCC(=O)N[C@@H]1CN(Cc2nnnn2C(C)C)C[C@@H]1O 1219333063 OQUCQAULYXIQGH-NEPJUHHUSA-N 308.386 -0.119 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CN(Cc2ncnn2C(C)(C)C)C[C@@H]1O 1219378976 KLPFAGJBCKFORK-TUAOUCFPSA-N 320.397 -0.146 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)CO[C@H](C)c2nccn2C)C1 1220871378 CGXNYOOHSZJCOP-UPJWGTAASA-N 308.382 -0.155 30 20 DBED Cc1nonc1C(=O)N1C[C@H]2CCN(CC(=O)NCC#N)C[C@H]21 1222103151 QQBISFKERZVYDB-GHMZBOCLSA-N 318.337 -0.836 30 20 DBED Cn1cnnc1COCC(=O)N1CC[C@H]2CCN(CC#N)[C@H]2C1 1223808056 SXAKAJMQLMDRKH-OLZOCXBDSA-N 318.381 -0.222 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC(NC(=O)C(C)(C)C(N)=O)CC1 1227890917 SYPVUHMFCHAATF-NSHDSACASA-N 322.409 -0.784 30 20 DBED C=CCN1CCS(=O)(=O)[C@H](CCNC(=O)[C@H]2CCOC2)C1 1230466868 BQWGSDJKVSALOK-QWHCGFSZSA-N 316.423 -0.186 30 20 DBED CN(C[C@H]1CCN1CC(=O)NCC#N)C(=O)c1cn(C)cn1 1233611956 VKVLPLQHOCBGAX-LLVKDONJSA-N 304.354 -0.794 30 20 DBED C#CCOCCC(=O)N(C)C[C@@H]1CCN1[C@H](C)c1nnnn1C 1234247235 YQWSZQQKPKCIMF-OLZOCXBDSA-N 320.397 -0.156 30 20 DBED CN(C)C(=O)Cn1ccc(NC(=O)C(=O)NCC(C)(C)C#N)n1 1254438818 OHGMQIJHGMKIRQ-UHFFFAOYSA-N 320.353 -0.424 30 20 DBED CCn1ccc(CC(=O)N[C@H]2CCN(CC(=O)NCC#N)C2)n1 1269025913 KUKPSFQOFCNFEF-ZDUSSCGKSA-N 318.381 -0.724 30 20 DBED C#C[C@H](C)NC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 1320521541 LHOAOIGJEAGXLX-VHSXEESVSA-N 311.363 -0.710 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)NCCOCC(F)(F)F)C1 1329315750 SSGKHVTUJJVDOD-NSHDSACASA-N 323.271 -0.441 30 20 DBED C[C@@]1(CO)CCCN1C(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1329721741 BWSQYPDTCSLGHS-BBRMVZONSA-N 320.393 -0.441 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCc2ncccn2)C1=O 1330728703 SEYZDSHHLBUFRA-LLVKDONJSA-N 317.349 -0.662 30 20 DBED C#CCN1CCC[C@H](NC(=O)C(=O)Nc2cccn(C)c2=O)C1 1331408477 AEJGCDYPLGBBPQ-LBPRGKRZSA-N 316.361 -0.462 30 20 DBED N#C[C@@H]1CCCN(C(=O)C(=O)NCCCN2CCOCC2)C1 1334534357 FWFOEMMYFDYSMV-ZDUSSCGKSA-N 308.382 -0.413 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)NC[C@@]1(N(C)C)CCSC1 1345067539 RIQOHRIPHALLTQ-RISCZKNCSA-N 315.439 -0.143 30 20 DBED N#CCC1(CNC(=O)C(=O)N2CC[C@H](n3cncn3)C2)CC1 1347566837 XAVGRNRUAHJTCQ-NSHDSACASA-N 302.338 -0.138 30 20 DBED CN1C(=O)CC[C@@H](NC(=O)C(=O)NCC(C)(C)CC#N)C1=O 1349037277 PFVBIAMBFSSWAR-SECBINFHSA-N 308.338 -0.694 30 20 DBED CC(C)C[C@@H](CN)NC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1349802648 JTPVGHMODOYMGY-JSGCOSHPSA-N 321.425 -0.325 30 20 DBED C=CCn1cc(CNC(=O)C(=O)NCC2(N)CCCC2)nn1 1350345609 XSBUYRJGANZMKG-UHFFFAOYSA-N 306.370 -0.532 30 20 DBED CC(C)C(=O)N1CCCN(c2[nH]c(=O)n(C)c(=O)c2C#N)CC1 1364151339 PPKFILMCJIZCIG-UHFFFAOYSA-N 319.365 -0.360 30 20 DBED CC(=O)NCC(=O)NCC1(O)CN(Cc2ccc(C#N)s2)C1 1376117471 AKPSVONFZHJZFW-UHFFFAOYSA-N 322.390 -0.581 30 20 DBED COCCN(CCNC(=O)C1CN(C(C)=O)C1)C(=O)[C@H](C)C#N 1383320630 YMHAFTCHGUJRGZ-LLVKDONJSA-N 324.381 -0.784 30 20 DBED CCn1ccc(CC(=O)NC[C@H](O)CNC(=O)[C@H](C)C#N)n1 1389094151 JDVPZHUMRDNSSR-PWSUYJOCSA-N 307.354 -0.802 30 20 DBED C[C@H](NCCN(C)C(=O)[C@H](C)C#N)C(=O)NC(=O)NC1CC1 1391205200 AHIDGOBQZVETRZ-ZJUUUORDSA-N 309.370 -0.429 30 20 DBED CCN(C(=O)C1(NC(N)=O)CC1)[C@@H]1CCN(C(=O)[C@@H](C)C#N)C1 1398887809 WFGFDKPPJCJLAA-WDEREUQCSA-N 321.381 -0.204 30 20 DBED Cc1cc(C(=O)NC[C@@]2(O)CCN(C(=O)[C@H](C)C#N)C2)ncn1 1411167920 IORDWMZWXYLXSC-BMIGLBTASA-N 317.349 -0.362 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CC12CCN(C(=O)[C@H](C)C#N)CC2 1414810127 ROMNSOFGVJVPQZ-ZYHUDNBSSA-N 306.366 -0.221 30 20 DBED COC(=O)C1(C#N)CCN(C(=O)N[C@H]2COC[C@H]2OC)CC1 1427686527 VORAHBYIVQQVFZ-WDEREUQCSA-N 311.338 -0.111 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H](C)CNC(=O)c1ccc(C(N)=O)cn1 1449986865 VGNYGHCMQFWQKW-NXEZZACHSA-N 317.349 -0.083 30 20 DBED Cc1nc(CC(=O)N2CC[C@@H](N(C)C(=O)[C@H](C)C#N)C2)n[nH]1 1453650037 ACPFZAOPXLKLEY-MWLCHTKSSA-N 304.354 -0.125 30 20 DBED C[C@H](C#N)C(=O)NC1CN(C(=O)[C@@H]2CCn3cncc3C2)C1 1456401403 YTZTUTRIOSWDFD-GHMZBOCLSA-N 301.350 -0.068 30 20 DBED C[C@H](C#N)C(=O)N(C)CCNC(=O)[C@H]1CCc2nncn2C1 1528262589 PSYMNRVPRLEFSJ-MNOVXSKESA-N 304.354 -0.425 30 20 DBED C=CCN(C)CCN(CC)C(=O)Cn1cnc(-c2nn[nH]n2)n1 1573342416 XQJKYDJIPUBPJU-UHFFFAOYSA-N 319.373 -0.576 30 20 DBED C=CCOC[C@@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)C(=O)O 1573369193 PJCZFVPEGNSGAI-SNVBAGLBSA-N 312.282 -0.047 30 20 DBED C[C@@H](C#N)C(=O)N(C)C[C@@H](C)N=c1cc[nH]c(-c2nn[nH]n2)n1 1574693403 HBTXWXGKTCBPPX-DTWKUNHWSA-N 315.341 -0.503 30 20 DBED C#CC[C@H](NS(=O)(=O)CC1(OC)CCOCC1)C(=O)O 1588424534 WUYZNMYNWRMQTF-JTQLQIEISA-N 305.352 -0.422 30 20 DBED C#CC[C@H](NS(=O)(=O)c1ccc2[nH]c(=O)cnc2c1)C(=O)O 1588428750 ZZZFBVZQIPXYJL-JTQLQIEISA-N 321.314 -0.322 30 20 DBED C=CCOCCNC(=O)N[C@H]1CCCCN(CC(=O)O)C1=O 1588466230 BCCOPYCWPKJRBY-NSHDSACASA-N 313.354 -0.046 30 20 DBED N#Cc1nc(NCC(=O)NCC(F)F)cnc1-c1nn[nH]n1 1592707753 ACQCTGDOCMKRQM-UHFFFAOYSA-N 309.240 -0.678 30 20 DBED Cc1[nH]c(C#N)cc1C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)O 1594247560 LZJJATOVXDODRZ-JTQLQIEISA-N 311.319 -0.481 30 20 DBED CCN(CCC#N)S(=O)(=O)NCCn1cc(C(=O)O)nn1 1596299829 DUPVSSLCHMHZEE-UHFFFAOYSA-N 316.343 -0.954 30 20 DBED N#Cc1ncn(CC(=O)N[C@@H](CC2CCOCC2)C(=O)O)n1 1601135052 GPDBYUHJNNOCCI-JTQLQIEISA-N 307.310 -0.464 30 20 DBED C#CCN(CC(=O)O)S(=O)(=O)c1ccc2[nH]c(=O)cnc2c1 1602699025 BWEJBGAYRKFVGK-UHFFFAOYSA-N 321.314 -0.368 30 20 DBED C=C1CC(C)(C(=O)N2CC(O)(CNC(=O)[C@H]3C[C@@H]3C(=O)O)C2)C1 1602791301 JXCXBJDZPXAPSE-QWRGUYRKSA-N 322.361 -0.247 30 20 DBED C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C(=O)O)C1 1602938258 ZZDPLAVVWAJLSF-VHSXEESVSA-N 321.337 -0.295 30 20 DBED CN(CC(C)(C)C#N)C(=O)C(=O)N1C[C@@H](O)C[C@H](C(=O)O)C1 1606088952 SSOUPGHVVKFCIN-UWVGGRQHSA-N 311.338 -0.711 30 20 DBED C=CCOC[C@@H](NC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C(=O)OC 1609058885 AXAUIJWBQSIYGE-SNVBAGLBSA-N 320.309 -0.331 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)NC[C@H]1CCCS(=O)(=O)C1 1647189030 JFMGVJNEJKUPLP-WDEREUQCSA-N 323.440 -0.263 30 20 DBED COc1cccnc1CC(=O)NC[C@H](C)NCC(=O)NCC#N 1752894320 IRHKXFODOMNVPG-NSHDSACASA-N 319.365 -0.633 30 20 DBED CN(CCNC(=O)CCc1cnn(C)c1)CC(=O)NCC#N 1753075075 YHUKDVRSLXZYRY-UHFFFAOYSA-N 306.370 -0.960 30 20 DBED C=CCn1cc(C(=O)NCCN(CC)Cc2nc(O)n[nH]2)nn1 1753091049 HACDTKZRWIVPIE-UHFFFAOYSA-N 320.357 -0.460 30 20 DBED N#CCNC(=O)CN1CCC[C@@H]1CNC(=O)Cc1ccc[nH]1 1753115670 MFMYPQVQUVWCGA-CYBMUJFWSA-N 303.366 -0.222 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](CN(C)CCN2C(=O)CNC2=O)C1 1753345226 GMFSHTNOKIKDQS-NWDGAFQWSA-N 321.381 -0.522 30 20 DBED C#CCNC(=O)CN1CC(NC(=O)c2ncccc2OC)C1 1753392661 TWRQTYYOJFTPSV-UHFFFAOYSA-N 302.334 -0.746 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H](C)CNCC(=O)NCC#N 1753634164 LYKJKOQSINLYFJ-IPYPFGDCSA-N 322.409 -0.051 30 20 DBED C=CCOCCN1CCO[C@H](CNC(=O)c2cn(C)nn2)C1 1753650484 TWQOCVKYNVKYOJ-GFCCVEGCSA-N 309.370 -0.552 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CNC(=O)c1cc(CCC)[nH]n1 1754499957 IXKXPVUZCSFVON-ZDUSSCGKSA-N 317.393 -0.084 30 20 DBED C[C@H]1CN(C(=O)C#CC(C)(C)C)C[C@@H]1CNCC(=O)NC(N)=O 1754814504 BMTGAQNITIIIIQ-RYUDHWBXSA-N 322.409 -0.085 30 20 DBED Cn1nncc1CNCCN(CCO)C(=O)c1cc(C#N)c[nH]1 1754879497 OJDUBPICZPIVTC-UHFFFAOYSA-N 317.353 -0.761 30 20 DBED C=CCNC(=O)[C@@H](C)NC[C@@H]1CN(C(=O)COCC)CCO1 1754993949 AJISMDTYTGDEMS-CHWSQXEVSA-N 313.398 -0.469 30 20 DBED COCC#CCN[C@@]1(CO)CCCN(C(=O)c2ncn(C)n2)C1 1755084951 WGIMMZKGKFQNGT-HNNXBMFYSA-N 321.381 -0.978 30 20 DBED C#CCNCC1(NC(=O)Cn2cnc(C(N)=O)n2)CCCCC1 1755351269 WJXMRQTTXJSEML-UHFFFAOYSA-N 318.381 -0.581 30 20 DBED C=CCOCC(=O)N[C@@H]1CCCN(CC(=O)NCC#N)[C@@H]1C 1755714559 NCBYQIQUABHVFV-CHWSQXEVSA-N 308.382 -0.202 30 20 DBED CN1CCO[C@H](C(=O)NCC2CC(NC(=O)C#CC3CC3)C2)C1 1755936509 YAFQUVWBXHHVOI-NRXISQOPSA-N 319.405 -0.259 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H](CO)CNC(=O)c1cncs1 1756505736 JGXMYZLUXDDANV-NXEZZACHSA-N 311.363 -0.612 30 20 DBED C=CCOCC(=O)N[C@H](CO)CNC(=O)c1cnc(C)nc1C 1756541863 FCSLZMSQEVCGSW-LBPRGKRZSA-N 322.365 -0.497 30 20 DBED C=CCCC(=O)N[C@@H](CO)CNC(=O)c1nccn2ccnc12 1756542396 JHJPQLMODHQKHE-LLVKDONJSA-N 317.349 -0.098 30 20 DBED C=CCOCC(=O)N(C)C[C@@H](O)CNC(=O)c1ccn(C)c1 1756656328 ONXGSUJYYVYHDX-ZDUSSCGKSA-N 309.366 -0.223 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)c2cncnc2C)C[C@@H]1O 1757162019 PNRYHIOHTXHRTB-OLZOCXBDSA-N 320.349 -0.711 30 20 DBED COC(=O)C(C)(C)CS(=O)(=O)N[C@H](CCC#N)C(=O)O 1777100919 HCLFIBAOZJACKX-MRVPVSSYSA-N 306.340 -0.138 30 20 DBED CC(=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)S)C2 1795065230 AAOILMMABAKEBT-MMWGEVLESA-N 300.380 -0.517 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](N)[C@@H](C)CC)C2 1800452098 UVNCQRCBYKIBIS-QIRZIZBZSA-N 307.394 -0.417 30 20 DBED C#CC(=O)N[C@@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825670453 CVBJHHWXQKXKOY-MRVPVSSYSA-N 317.326 -0.224 30 20 DBED N=C(N)NCC(=O)N1CCCC12CN(C(=O)C#CC1CC1)C2 1842882396 GXDRHKUACYFGSZ-UHFFFAOYSA-N 303.366 -0.914 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)[C@H]2C[C@@H](O)C2)C1 1843843039 QUUHKGMEHDJGFH-MELADBBJSA-N 320.389 -0.001 30 20 DBED N#CCN(CCO)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 42598930 PIMNALHHROCGHB-UHFFFAOYSA-N 315.333 -0.511 30 20 DBED CN(C)C1(CNc2c(C#N)c(=O)n(C)c(=O)n2C)CCOCC1 72947513 LWPROCIRVHDPCZ-UHFFFAOYSA-N 321.381 -0.522 30 20 DBED C#CC[C@@H](NS(=O)(=O)N1CCC[C@@H]1C(=O)OCC)C(=O)O 227504336 CJVKDFLMMBKBMX-NXEZZACHSA-N 318.351 -0.675 30 20 DBED CCN(C[C@H](C)C#N)[C@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O 245754124 HDZXZGPIYBYCKN-NXEZZACHSA-N 321.381 -0.281 30 20 DBED C=CCNC(=O)CNC(=O)[C@@H]1CC[C@H](C(F)(F)F)NC1=O 271972187 JRDSGVFKNJAFLV-JGVFFNPUSA-N 307.272 -0.138 30 20 DBED CCOc1ccc(C#N)cc1NC(=O)C(=O)NCCC(N)=O 275413445 LCYKXTPBTIRJBS-UHFFFAOYSA-N 304.306 -0.113 30 20 DBED CNC(=O)CCN(C)C(=O)C(=O)NCc1cccc(C#N)c1 284142279 WRUAPQGXVCGBKK-UHFFFAOYSA-N 302.334 -0.231 30 20 DBED C[C@H]1CS(=O)(=O)C[C@H]1NS(=O)(=O)c1cccnc1C#N 288337640 GZUOWVJOTNOASF-WCBMZHEXSA-N 315.376 -0.335 30 20 DBED CC[C@@H](CO)NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 290689758 IMYKVXHLHLOTAA-NSHDSACASA-N 311.363 -0.276 30 20 DBED COCCCNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 298192825 BIIHLWBZTVGYEN-UHFFFAOYSA-N 311.363 -0.011 30 20 DBED CN(C)c1ncc(C/N=C(/O)N2C[C@@H]3OCCN(C)[C@H]3C2)n1C 329956496 PPKPQZTUIGXEPY-STQMWFEESA-N 322.413 -0.085 30 20 DBED CC(C)N1C(=O)C[C@@H](NS(=O)(=O)N(C)[C@@H](C)CC#N)C1=O 330425278 SELOFNHBMCSDDB-VHSXEESVSA-N 316.383 -0.409 30 20 DBED CC(=O)N[C@H]1CCCN(C(=O)CNc2ccc(C#N)cn2)C1 330538862 GMUBAOQBNNLSFD-ZDUSSCGKSA-N 301.350 0.492 30 20 DBED CNC(=O)Cn1cc(N=C(O)N[C@H]2CCN(C(C)C)C2=O)cn1 330654403 LURYXJROVKVNTF-NSHDSACASA-N 322.369 -0.227 30 20 DBED CC(C)N1C[C@@H](N/C(O)=N/[C@H](C)CS(C)(=O)=O)CC1=O 331146404 ALVHNTXNZYZXGU-ZJUUUORDSA-N 305.400 -0.068 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)NCc1ccc(C(N)=O)nc1 336879536 ADNIRIWMNIVJNW-VIFPVBQESA-N 311.367 -0.394 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)NC[C@H]2CCN(C3CC3)C2)CCO1 336909757 HGKODGJUIFXWAF-DGCLKSJQSA-N 314.411 -0.471 30 20 DBED C[C@@H](CN1CCCCC1)NS(=O)(=O)N1CCO[C@H](C#N)C1 337175972 IZIIRUVZSCWRLG-QWHCGFSZSA-N 316.427 -0.080 30 20 DBED CC(=O)NC[C@@H]1CN(S(=O)(=O)N(C)[C@@H](C)CC#N)CCO1 337967271 HUAZACOVDMPSBF-CMPLNLGQSA-N 318.399 -0.698 30 20 DBED COc1cc(C#N)ccc1OCC(=O)NCCn1ncnn1 338967028 OSMUNCGIJNYRLV-UHFFFAOYSA-N 302.294 -0.251 30 20 DBED N#CC1CCN(C(=O)C(=O)NCCCN2CCOCC2)CC1 339493225 NZOBOQAKXYLXBN-UHFFFAOYSA-N 308.382 -0.413 30 20 DBED COC(=O)[C@@H]1CN(C(=O)C(=O)Nc2sccc2C#N)CCO1 339999410 SAMDUEILNOKFAB-VIFPVBQESA-N 323.330 -0.041 30 20 DBED C=CCCN(C)S(=O)(=O)N1CCN(S(C)(=O)=O)CC1 342079863 UOOOFMKNUVAMTP-UHFFFAOYSA-N 311.429 -0.684 30 20 DBED OC[C@H](NCC#CCN[C@H](CO)[C@@H]1CCCO1)[C@@H]1CCCO1 342164823 KXOULSHTMNBNAB-FZKCQIBNSA-N 312.410 -0.751 30 20 DBED N#C[C@@H]1CSCCN1C(=O)c1ccc(S(N)(=O)=O)nc1 342214794 YQUZQIGUVAAQJU-SECBINFHSA-N 312.376 -0.190 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N1[C@H](CO)CC[C@@H]1CO 344925575 XNOKRDHKGAYGNT-SDDRHHMPSA-N 305.400 -0.470 30 20 DBED C[C@@H](CO[C@@H]1CCOC1)NC(=O)NCCn1cnc(C#N)n1 345428368 GVCDVEQACKAJFX-WDEREUQCSA-N 308.342 -0.357 30 20 DBED CO[C@H]1CCCN(C(=O)C(=O)Nc2ccn(CCC#N)n2)C1 347705075 PUVSKLHRWPBCBD-NSHDSACASA-N 305.338 0.373 30 20 DBED C=CCOC[C@@H]1NC(=O)N(C[C@@H](C)CN2CCN(C)CC2)C1=O 348433090 TUHWFDVDXZDVRI-KBPBESRZSA-N 324.425 -0.007 30 20 DBED Cn1ncc(C(=O)NCCCN2CCC[C@@H]2C(N)=O)c1C#N 355830684 PHSDQDHZSLTGFN-LLVKDONJSA-N 304.354 -0.639 30 20 DBED C=CCOC[C@@H](NS(=O)(=O)c1cn(C)cn1)C(=O)OC 360601928 YUXZPAVDCTZQPK-SECBINFHSA-N 303.340 -0.557 30 20 DBED C#CCNC(=O)CN1CCN(CC(=O)N(CC)CC(=C)C)CC1 491125202 BKUMISXQTOYGDC-UHFFFAOYSA-N 320.437 -0.222 30 20 DBED C#CCN1CCN(C(=O)CN2C[C@@H](C)O[C@@]3(CCOC3)C2)CC1 491504205 GRACAUWKTVLRCV-WBVHZDCISA-N 321.421 -0.356 30 20 DBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)CCn1ccnn1 527051505 ULZYBZMEDGWLSR-UHFFFAOYSA-N 302.342 -0.064 30 20 DBED Cn1cnn(CCC(=O)NCC(=O)c2ccc(C#N)cc2)c1=O 552037139 MOSQGWOIOBDERS-UHFFFAOYSA-N 313.317 -0.157 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N(CCN(C)C)CCN(C)C 569504085 RBFCNUWIFBIANX-CYBMUJFWSA-N 319.475 -0.252 30 20 DBED N#CCNC(=O)CNC(=O)Nc1ccc(OCC(N)=O)cc1 588233560 PSMRBHAORVSUIA-UHFFFAOYSA-N 305.294 -0.688 30 20 DBED N#CCNC(=O)CNC(=O)Nc1cccc2c1OCC(=O)N2 589350474 CETPFSUJOVYSAI-UHFFFAOYSA-N 303.278 -0.221 30 20 DBED N#CCCCCS(=O)(=O)N1CCN(Cc2nc[nH]n2)CC1 593652748 JLFFHZSXJONYOX-UHFFFAOYSA-N 312.399 -0.054 30 20 DBED C[C@@H]1CN(CCNS(=O)(=O)N(C)CCC#N)[C@H](C)CO1 594817102 NNGNTCWVMZEBPG-VXGBXAGGSA-N 304.416 -0.225 30 20 DBED CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)COc1ccccc1C#N 598024315 AINCJWHFXBXHCZ-YPMHNXCESA-N 324.358 -0.135 30 20 DBED CN(C)S(=O)(=O)N1CCN(S(=O)(=O)CCCC#N)CC1 609541770 NOIJYGXAPNSWFE-UHFFFAOYSA-N 324.428 -0.956 30 20 DBED CC(=O)[C@H]1CCCCN1S(=O)(=O)N1CCO[C@@H](C#N)C1 632383597 RXBNUPCSURBYRT-NWDGAFQWSA-N 301.368 -0.101 30 20 DBED C#CCC[C@@H](O)CNC(=O)[C@@H]1CCCCN1S(C)(=O)=O 717926749 FEXSPCLEMWQJCA-NEPJUHHUSA-N 302.396 -0.309 30 20 DBED N#C[C@H]1CN(C(=O)COc2ccccc2-c2nn[nH]n2)CCO1 737678463 ILTOZMWKBMWIEH-JTQLQIEISA-N 314.305 -0.004 30 20 DBED N#CCN(CC(=O)O)S(=O)(=O)c1ccc(-n2cnnn2)cc1 739085712 JTFPUFPVWOONBU-UHFFFAOYSA-N 322.306 -0.739 30 20 DBED COCCOCC(C)=NNC(=S)NCCN1CCOCC1 741161049 DXRRZTBMZJWQIO-UHFFFAOYSA-N 318.443 -0.178 30 20 DBED C[C@H](CC#N)OC(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1 756281032 DUCIDAXALJMBKP-RKDXNWHRSA-N 300.340 -0.068 30 20 DBED COCC#CCOC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 762836270 AWIDAFBFIAIPGC-WFFHOREQSA-N 307.302 -0.658 30 20 DBED C[C@H](C#N)COC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 770940413 ATLYMVDQUNQOJP-MRVPVSSYSA-N 302.290 -0.051 30 20 DBED C#CCNC(=O)CN[C@H](C)c1ccc(S(=O)(=O)NC)cc1 775235638 UXSDJZKFUOSJOL-LLVKDONJSA-N 309.391 -0.005 30 20 DBED N#CCCN(CCC#N)C(=O)COC(=O)CCn1ccnn1 787623690 KEUZBISTOHJJBF-UHFFFAOYSA-N 304.310 -0.133 30 20 DBED C#CCCS(=O)(=O)N1CCC[C@H]1C[C@]1(C)NC(=O)NC1=O 808312588 YEQZCFVARNVEJL-GWCFXTLKSA-N 313.379 -0.208 30 20 DBED C=CCS(=O)(=O)NC(=O)COc1ccccc1-c1nn[nH]n1 823932097 OLRXUZSYTYYRBR-UHFFFAOYSA-N 323.334 -0.123 30 20 DBED N#C[C@H]1CNC[C@H]1NC(=O)Cn1nc(-c2ccccc2)oc1=O 834499738 MESIRWKVHUNXKZ-NWDGAFQWSA-N 313.317 -0.269 30 20 DBED CNC(=O)[C@H](O)CNCCS(=O)(=O)c1ccc(C#N)cc1 843112489 YEWMWSYKDCALKC-GFCCVEGCSA-N 311.363 -0.972 30 20 DBED C=C[C@@H](C)ONC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 845633921 PSZXJVVAABIQPD-GFCCVEGCSA-N 324.381 -0.031 30 20 DBED C=CCS(=O)(=O)CCNC(=N)NCCCN1CCOCC1 849017278 ADZLNDRFFKZCLR-UHFFFAOYSA-N 318.443 -0.577 30 20 DBED CNC[C@H](C)NC(=O)C(=O)NCCNc1ccc(C#N)cn1 851692405 WVDKBCFAYZOPEV-JTQLQIEISA-N 304.354 -0.795 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N1CC[C@H](N2CCOC2=O)C1 852432974 RKJNRRHPWZKGSO-MNOVXSKESA-N 310.354 -0.087 30 20 DBED C#CCOCCNC(=O)N1CCCN(C(=O)CNC(C)=O)CC1 858357587 TYUBZQPYDPLWRV-UHFFFAOYSA-N 324.381 -0.984 30 20 DBED C#CCCS(=O)(=O)NC1CCN([C@@H]2CCN(C)C2=O)CC1 867441107 JKHOSNIACXWKFQ-CYBMUJFWSA-N 313.423 -0.376 30 20 DBED C#CCCCc1nnc(N2CCN(S(C)(=O)=O)CC2)n1C 908531654 IMMXEPLKMDMUFB-UHFFFAOYSA-N 311.411 -0.147 30 20 DBED C#CC[C@H](CO)NC(=O)NC[C@H](C(C)C)N1CCN(C)CC1 913998926 SMKLHIFTDMQIKK-HUUCEWRRSA-N 310.442 -0.058 30 20 DBED C#CCCN1CC[C@H](NC(=O)CN2C(=O)CNC2=O)[C@H](C)C1 944787924 CPUXADBNHNHGMC-NEPJUHHUSA-N 306.366 -0.612 30 20 DBED C[C@H]1C[C@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)CCN1CC#N 947895730 QXPPZERDDGRMOC-WDEREUQCSA-N 321.381 -0.191 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(CC)C1CN([C@H](C)C(N)=O)C1 950533502 IJQGWKKGNFCHGY-OCCSQVGLSA-N 306.410 -0.510 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]1CNC(=O)c1cccc(=O)n1C 952018739 NHWRJYFVPVVSDQ-MNOVXSKESA-N 302.334 -0.124 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@](C)(NC(=O)c2cn(C)c(=O)cn2)C1 957277668 WZANJOYIVVGGHS-BMIGLBTASA-N 317.349 -0.339 30 20 DBED C#CCCN1C[C@@H](O)[C@H](CNC(=O)c2ccc3nn[nH]c3n2)C1 958120657 BCXXWEPBUWISNH-ZWNOBZJWSA-N 314.349 -0.601 30 20 DBED N#CCN1C[C@H](CNC(=O)C23CCCN(CCC2)C3)[C@@H](O)C1 958171789 MFASVHHKHBNRRH-KBPBESRZSA-N 306.410 -0.205 30 20 DBED C#CCCN1C[C@H](O)[C@H](CNC(=O)c2nc[nH]c3nccc2-3)C1 958219572 KNHKADPZCHOLNI-YPMHNXCESA-N 313.361 -0.045 30 20 DBED C#CCCN1C[C@H](CNC(=O)c2ccc3nnnn3c2)[C@@H](O)C1 958252688 CESRCUQSECZJRR-STQMWFEESA-N 314.349 -0.830 30 20 DBED C=CCN1C[C@@H](O)[C@@H](CNC(=O)c2ccc3nncn3c2)C1 958482112 VPVCYZKTEDCCDG-QWHCGFSZSA-N 301.350 -0.062 30 20 DBED CC[C@H](C(N)=O)N1C[C@H]2C(NC(=O)c3ccc(C#N)[nH]3)[C@@H]2C1 958590064 KJNNJTUCRLISAU-CKYFFXLPSA-N 301.350 -0.190 30 20 DBED C#CCCN1C[C@@H](O)[C@@H](CNC(=O)c2cnn(C)c2OC)C1 958624934 FUVCRNIKGLGVLY-WCQYABFASA-N 306.366 -0.526 30 20 DBED N#CCN1C[C@H]2C(NC(=O)c3cccc(-n4cncn4)n3)[C@@H]2C1 962162015 GBRRINWGYMDXQJ-GHMZBOCLSA-N 309.333 -0.154 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2[C@@H]3CN(CC(=O)N(C)C)C[C@@H]32)cn1 962324906 GRHSXISYSZCLLQ-FOLVSLTJSA-N 312.373 -0.189 30 20 DBED C[C@H]1CCN(CC#N)C[C@H]1NC(=O)c1cn(C)c(=O)n(C)c1=O 968374028 KPCOSLCFYWMDJM-CMPLNLGQSA-N 319.365 -0.952 30 20 DBED C[C@@H]1CCN(CC#N)C[C@@H]1NC(=O)c1cc(=O)n2[nH]cnc2n1 968543507 BWEJUSAMSFOZMZ-KOLCDFICSA-N 315.337 -0.619 30 20 DBED C=CCN1CC[C@H](N(C)[C@H]2CCN(C(=O)CC(N)=O)C2)C1=O 971238079 CSVSCUQRJIYICA-RYUDHWBXSA-N 308.382 -0.819 30 20 DBED Cc1nn[nH]c1C(=O)N1C[C@H]2CCN(C(=O)[C@H](C)C#N)C[C@H]21 974708265 VARKZNYOJPXGCM-FBIMIBRVSA-N 302.338 -0.054 30 20 DBED C[C@@H](C(N)=O)N1C[C@H]2[C@H](CNC(=O)c3cc(C#N)c[nH]3)[C@H]2C1 977972335 CXBJJMYFVIICPU-PDEGPIFNSA-N 301.350 -0.332 30 20 DBED CC#CCN1C[C@@H]2C(CNC(=O)c3cc(=O)n(C)cn3)[C@H]2C1 978296121 YTJCJMOTCKNGFN-CHWSQXEVSA-N 300.362 -0.289 30 20 DBED Cc1nn(CC(=O)N[C@@H]2CCC[C@@H](NCC#N)C2)c(=O)n1C 981488216 VCSNZVUCZSQGQQ-VXGBXAGGSA-N 306.370 -0.569 30 20 DBED NC(=O)CC(=O)N1C[C@H]2CCN(C(=O)C#CC3CC3)C[C@H]2C1 985838410 IXYPADMTIOUXBO-OLZOCXBDSA-N 303.362 -0.418 30 20 DBED C[C@H]1C[C@@H](NCC(=O)N2CCOCC2)CN1C(=O)C#CC1CC1 988824613 IOAUSUQFQTYTJH-DZGCQCFKSA-N 319.405 -0.162 30 20 DBED C=CCn1cc(C(=O)NC2CN(C(=O)[C@H](O)C(C)C)C2)nn1 991673803 OZHUQQFNFVPPRU-GFCCVEGCSA-N 307.354 -0.578 30 20 DBED C=CCN[C@@H]1CCC[C@H]2CN(C(=O)CN3CCNC(=O)C3)C[C@@H]21 992779909 RLLZSLTUDFWHPY-SOUVJXGZSA-N 320.437 -0.179 30 20 DBED O=C(NC1CN(C(=O)C#CC2CC2)C1)c1cn2c(n1)COCC2 994876844 BUEZJNPCMYURPG-UHFFFAOYSA-N 314.345 -0.233 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CNCc2nc(=O)n(C)[nH]2)CC1 997617313 IJLGXBTYTNDIOF-SNVBAGLBSA-N 306.370 -0.404 30 20 DBED C#Cc1cncc(C(=O)NC2CN(C(=O)c3cnnn3C)C2)c1 999305028 UHEYVHGDIMBFRB-UHFFFAOYSA-N 310.317 -0.554 30 20 DBED CN(C(=O)[C@H]1CCc2nnnn2CC1)C1CC(NCC#N)C1 999435575 BAHVJUPZJWPLBU-UNXYVOJBSA-N 303.370 -0.272 30 20 DBED C#CCN[C@@H]1CCCN(C(=O)c2ccc(=O)n(CCOC)n2)C1 999649873 LENQJFVAPXTXLH-CYBMUJFWSA-N 318.377 -0.283 30 20 DBED N#Cc1ccc(C(=O)NCC2CN(C(=O)Cn3cncn3)C2)[nH]1 1001483236 TUDPCIVVPAKVDS-UHFFFAOYSA-N 313.321 -0.634 30 20 DBED CC1(C)CN(C(=O)CC(N)=O)C[C@@H]1NC(=O)c1ccc(C#N)[nH]1 1008047468 AGDZCRGUIDXZJN-NSHDSACASA-N 317.349 -0.271 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](NC(=O)Cn2cnnc2O)C(C)(C)C1 1008060576 ZQYGLVRLKPVJMK-VHSXEESVSA-N 320.353 -0.503 30 20 DBED CN1CC[C@H](C(=O)N[C@H]2CCCN(CC#N)C2)S1(=O)=O 1008840116 LVZFQOPTVHPKHF-WDEREUQCSA-N 300.384 -0.876 30 20 DBED C=CCN1CC[C@H](N[C@H]2CCN(C(=O)Cn3cncn3)C2)C1=O 1019745227 HMNIDEVRAATTOI-STQMWFEESA-N 318.381 -0.745 30 20 DBED N#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)C2CS(=O)(=O)C2)C1 1021595631 CKUVQLSDCZJLRS-WCQYABFASA-N 311.407 -0.133 30 20 DBED Cn1c(O)ncc(C(=O)N2C[C@@H]3[C@@H](CC[C@H]3NCC#N)C2)c1=O 1026326023 GRSOFOFTNJZFJS-MVWJERBFSA-N 317.349 -0.550 30 20 DBED C=CCn1cc(C(=O)N2C[C@@H]3CC[C@H](NCC(N)=O)[C@H]3C2)nn1 1026371810 PZYXZDMLISPTTA-SRVKXCTJSA-N 318.381 -0.610 30 20 DBED N#CCN[C@@H]1CC[C@@H]2CN(C(=O)C3CC(=O)NC(=O)C3)C[C@H]21 1026375692 XGLMJYRHZJRPSS-YUSALJHKSA-N 304.350 -0.611 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H](N(C)CC(N)=O)C1 1027446568 NRODBSDZCMDKHJ-KGLIPLIRSA-N 306.410 -0.508 30 20 DBED C#Cc1cncc(C(=O)NC[C@@H]2CCN([C@H](C)C(N)=O)C2)c1 1028792625 KNXJLMIMKNXEHR-YPMHNXCESA-N 300.362 -0.012 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)C3=CCOCC3)C2)C1=O 1030244475 CGKMUYNXFQBMOK-AWEZNQCLSA-N 305.378 -0.080 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)[C@]3(C)CCNC3=O)C2)C1=O 1030946267 FUDYXTDOEMZDMZ-BLLLJJGKSA-N 320.393 -0.900 30 20 DBED C#CCN1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)c(C)nn(C)c1=O 1032552974 GVBIPJZZXCACHQ-STQMWFEESA-N 300.362 -0.071 30 20 DBED C=CCn1cc(C(=O)N(C)[C@H]2CCN([C@@H]3CCNC3=O)C2)nn1 1033483594 JUVURVIXDBLEKB-WCQYABFASA-N 318.381 -0.501 30 20 DBED C#CCN1CC[C@H](N(C)C(=O)C2CC3(C2)NC(=O)NC3=O)C1 1033500555 BYSZMGQTEOGZRA-VTWZXRTESA-N 304.350 -0.860 30 20 DBED CN(C(=O)CN1C(=O)NC(=O)C1(C)C)[C@@H]1CCN(CC#N)C1 1033556161 WGUPMNVANLHHQV-SNVBAGLBSA-N 307.354 -0.627 30 20 DBED C=CCN1CCCC[C@H](NC(=O)c2cn(CC(N)=O)nn2)C1 1034545244 ZVQRNJGEMNEUEH-NSHDSACASA-N 306.370 -0.466 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)c2nc(OC)cc(OC)n2)C1 1035415000 XDRFCESQRDCNBR-NSHDSACASA-N 320.349 -0.442 30 20 DBED N#CCN1CCO[C@H](CNC(=O)c2cnc3[nH]c(O)nc3c2)C1 1035419015 LWPSAFPCKKTOAM-SNVBAGLBSA-N 316.321 -0.382 30 20 DBED C#CCN1CC2(CCN(C(=O)CN3CCC(=O)NC3=O)CC2)C1 1035831956 VDGOZJUUBBXKJM-UHFFFAOYSA-N 318.377 -0.514 30 20 DBED C#CCN[C@@H]1CCN(C(=O)c2nccnc2C(N)=O)C[C@H]1C 1036286939 TUQYENIXFIRTDF-GHMZBOCLSA-N 301.350 -0.351 30 20 DBED CC#CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)Cc1c(C)nc(O)nc1O 1037635359 NGLHXXPIXPLQRY-SCDSUCTJSA-N 316.361 -0.049 30 20 DBED C#CCN[C@@H]1CCN(C(=O)CN2CCC(=O)NC2=O)C[C@@H]1CC 1037945016 BRUVAMQBSFKLMU-QWHCGFSZSA-N 320.393 -0.222 30 20 DBED C=CCN1CC[C@H](N2CC[C@@H]2CNC(=O)c2[nH]nnc2C)C1=O 1038580815 CARHHMKLPSNGIH-NEPJUHHUSA-N 318.381 -0.296 30 20 DBED O=C(C#CC1CC1)NC[C@@]1(O)CCN(C(=O)[C@H]2CCCO2)C1 1039677169 DXZWEAZEBWQEPQ-CJNGLKHVSA-N 306.362 -0.342 30 20 DBED CC(C)OCC(=O)N1CC[C@](O)(CNC(=O)C#CC2CC2)C1 1039677618 KKFCPQVXDCPBHN-INIZCTEOSA-N 308.378 -0.096 30 20 DBED O=C(C#CC1CC1)NC[C@]1(O)CCN(C(=O)Cc2cc[nH]n2)C1 1039680800 NLKHJBIPYPWBPF-MRXNPFEDSA-N 316.361 -0.555 30 20 DBED N#CCN1CCC[C@]2(CCN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)C1 1040244593 LOGGXALFPKUNLL-NHYWBVRUSA-N 319.365 -0.577 30 20 DBED C=C(C)CCC(=O)N1CC[C@@](O)(CNC(=O)c2cnn(C)n2)C1 1040303226 UAWZVGMFNGUKJX-OAHLLOKOSA-N 321.381 -0.135 30 20 DBED C[C@@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)c2cncn2C)C1 1040767037 VWDANXPURKSEGN-IINYFYTJSA-N 305.338 -0.727 30 20 DBED N#Cc1nccc(N2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CCCO3)C2)n1 1040930649 GMTVTHQUELEPCI-QJPTWQEYSA-N 317.349 -0.417 30 20 DBED Cn1cc(C(=O)N[C@@H]2CN(c3ncccc3C#N)C[C@H]2O)nn1 1041011850 JXDAVRGVVKJNLG-ZYHUDNBSSA-N 313.321 -0.939 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(O)(CNC(=O)c2ccoc2)C1 1041456518 SIXFLTUBJACZGY-AWEZNQCLSA-N 308.334 -0.090 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)C2=COCCC2)C1 1041975989 BRDCICVFHIYECU-UHFFFAOYSA-N 310.350 -0.427 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]2C(=O)OC)C1 1041985665 WJQGQJQWMYZNMU-VXGBXAGGSA-N 322.361 -0.712 30 20 DBED N#CCN1CC[C@@H]2CCN(C(=O)Cn3c(O)nnc3O)C[C@@H]21 1042327063 UOGBOBAFAJIWEH-ZJUUUORDSA-N 306.326 -0.864 30 20 DBED O=C(C#CC1CC1)NCC1(O)CN(C(=O)[C@H]2C[C@]23CCOC3)C1 1042960776 ODDBGMABUUYKKG-CJNGLKHVSA-N 318.373 -0.484 30 20 DBED CCn1cc(C(=O)NCC2(O)CN(C(=O)[C@@H](C)C#N)C2)c(C)n1 1043082471 PBWFAWIMYJMYET-JTQLQIEISA-N 319.365 -0.326 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)CCc2ccnn2C)C1 1043318483 NHZOQRGQYOCZHT-NSHDSACASA-N 319.365 -0.798 30 20 DBED C=CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)C#CC(C)C)C1 1043570373 HIABAPOSMMLUNS-CYBMUJFWSA-N 308.378 -0.074 30 20 DBED N#Cc1cccnc1N1C[C@H](O)[C@H](NC(=O)Cn2cccn2)C1 1043860170 MPJCVWCFSJRSPY-OLZOCXBDSA-N 312.333 -0.484 30 20 DBED Cn1ccc(C(=O)N[C@@H]2CN(c3cncc(C#N)n3)C[C@@H]2O)c1 1043908568 PEERGNCLTYGSOS-OLZOCXBDSA-N 312.333 -0.334 30 20 DBED C#Cc1ccc(C(=O)N(C)C2CN(CC(=O)N(C)C)C2)nc1 1044203345 LLWARUFDBQTNGY-UHFFFAOYSA-N 300.362 -0.093 30 20 DBED N#Cc1cccnc1N1C[C@H](O)[C@H](NC(=O)c2ccnnc2)C1 1044576041 BCRUGTJHYNTRQA-OLZOCXBDSA-N 310.317 -0.277 30 20 DBED C=C[C@H](C)[C@H](C)C(=O)NCC1(O)CN(C(=O)c2cnn(C)n2)C1 1044979478 FVZIJEUJHQALCN-QWRGUYRKSA-N 321.381 -0.424 30 20 DBED Cn1cc(C(=O)N2CCN([C@@H]3CCN(CC#N)C3)CC2)cn1 1046001024 CIVWJDNMIOKZOT-CQSZACIVSA-N 302.382 -0.224 30 20 DBED CCc1nocc1C(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1046218384 XTZUXWWVZKFGAD-UHFFFAOYSA-N 317.345 -0.047 30 20 DBED C=CCCC(=O)N(C)[C@H]1CN(C(=O)CCc2nc[nH]n2)C[C@@H]1O 1048510103 HEYJMCBRQWBNIH-RYUDHWBXSA-N 321.381 -0.266 30 20 DBED CC(C)C#CC(=O)N(C)[C@H]1CN(C(=O)Cn2cccn2)C[C@@H]1O 1048798882 OGPHSKGZROYBDX-KBPBESRZSA-N 318.377 -0.427 30 20 DBED C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)CCn1ncn(C)c1=O 1049611791 KPOQVGHWYFLKQA-KGLIPLIRSA-N 317.393 -0.330 30 20 DBED C=C(C)CN1CCOC[C@H]1CNC(=O)c1nnc(O)nc1O 1051005876 GEHLNURGKISOPB-SECBINFHSA-N 309.326 -0.711 30 20 DBED N#Cc1c(F)cccc1N1CC[C@H](NC(=O)C(N)=O)[C@H](O)C1 1051765595 BSKLOAMQJWREGE-CMPLNLGQSA-N 306.297 -0.762 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1C 1051922295 PXNCPVKUBYDCPF-NWDGAFQWSA-N 322.369 -0.914 30 20 DBED C#CCN1CCN([C@H]2CCN(C(=O)c3cn(CC)nn3)C2)CC1 1052103923 VZJMBOWLZXXOFR-AWEZNQCLSA-N 316.409 -0.237 30 20 DBED N#CCN1CCN([C@@H]2CCN(C(=O)[C@@H]3CCC(=O)N3)C2)CC1 1052110486 RJVLTUOTLIUARO-OLZOCXBDSA-N 305.382 -0.993 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(C(=O)c2cnon2)C[C@H]1C 1053238788 BOTVQYSBZMGINS-VXGBXAGGSA-N 320.349 -0.066 30 20 DBED CCC(=O)NCC(=O)N[C@@]1(CO)CCCN(C(=O)[C@H](C)C#N)C1 1055836802 GEIDHEQCIQRREN-ABAIWWIYSA-N 324.381 -0.858 30 20 DBED CN1C[C@H](C(=O)N2CCN(c3ccnc(C#N)n3)CC2)NC1=O 1055975066 YRJYEMKZCNQULZ-SNVBAGLBSA-N 315.337 -0.980 30 20 DBED Cn1nnc(C(=O)NC2[C@@H]3CN(c4ccc(C#N)nc4)C[C@@H]23)n1 1056372910 QFVLHKUATFLJLQ-GHMZBOCLSA-N 310.321 -0.659 30 20 DBED C=CCOCCCC(=O)N(CCO)CCNC(=O)COC 1057267091 QZKHCJIGEFXBLB-UHFFFAOYSA-N 302.371 -0.447 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)[C@@H](C)c1cncnc1 1058490071 VFBQWLOTYTVTRX-RYUDHWBXSA-N 319.365 -0.323 30 20 DBED CN1C(=O)CC[C@H]1C(=O)N[C@@H]1CCN(c2ccnc(C#N)n2)C1 1058516241 HQXZSWZLQQSQGB-MNOVXSKESA-N 314.349 -0.336 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1C[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1 1059803020 QZMFHUIOHHBQMF-UMNHJUIQSA-N 300.322 -0.884 30 20 DBED Cc1cc(=N[C@H]2C[C@@H](NC(=O)[C@H]3CNC(=O)N3)C2)c(C#N)c[nH]1 1059803071 UMUSYSISALTZTI-NTZNESFSSA-N 314.349 -0.576 30 20 DBED N#CCSCC(=O)N1CCOC[C@H]1CNC(=O)c1ccon1 1061358299 XSRDNYFLSJSYNQ-SNVBAGLBSA-N 324.362 -0.111 30 20 DBED C=CCCC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1COCCO1 1061397811 ZPSSLPWEPSOWHT-STQMWFEESA-N 312.366 -0.288 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)[C@H]2COC(=O)N2)CCO1 1065109493 ZKWZVJDUCQGJJX-NWDGAFQWSA-N 323.349 -0.758 30 20 DBED C=CCCCC(=O)N1CCO[C@@H](CNC(=O)CNC(C)=O)C1 1065544049 KUBKQSNEGPROLI-ZDUSSCGKSA-N 311.382 -0.178 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)Cc2ccnn2C)C1 1065556898 KWHOFDROLRECQC-YPMHNXCESA-N 319.365 -0.534 30 20 DBED CNC(=O)NCC(=O)N1CCC[C@@H](NC(=O)C#CC2CC2)CC1 1066155433 GLZYGROGARSDJW-CYBMUJFWSA-N 320.393 -0.174 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CCC2(CN(C(=O)CCN(C)C)C2)O1 1068623092 QVCZLDRGRLFXJB-CHWSQXEVSA-N 322.409 -0.026 30 20 DBED Cc1cnoc1C(=O)N1C[C@H](n2ccnn2)[C@H](NCC#N)C1 1070305068 BWOHUPCDOVOJHN-MNOVXSKESA-N 301.310 -0.247 30 20 DBED C=CCOCC(=O)N1CCC[C@@H](NC(=O)c2ncn(C)n2)C1 1070553906 ABMOJPMXCNPDCP-LLVKDONJSA-N 307.354 -0.262 30 20 DBED C#CCCN1CC[C@]2(C1)CN(C(=O)Cn1nccn1)C[C@H](C)O2 1071173317 HCKOFRLBTKODIJ-HOCLYGCPSA-N 317.393 -0.007 30 20 DBED CC#CCCCC(=O)N[C@@H]1CCCN(C(=O)[C@H]2CNC(=O)N2)C1 1071208158 XSWSKRAKZCYUMG-CHWSQXEVSA-N 320.393 -0.031 30 20 DBED C=CCCOCC(=O)N[C@H]1CN(C(=O)CNC(C)=O)C[C@@H]1C 1071507599 YYPZSKXAEIAJSO-AAEUAGOBSA-N 311.382 -0.322 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(C(=O)C2(NC(N)=O)CC2)C[C@@H]1C 1071926460 YHWGKFVKEJRTDM-NWDGAFQWSA-N 320.393 -0.190 30 20 DBED C#CCOCCC(=O)N[C@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@H]1C 1072300909 XLILNSBDNDOFKP-NEPJUHHUSA-N 323.393 -0.499 30 20 DBED C=CCCOCC(=O)N[C@H]1CN(C(=O)Cc2nc[nH]n2)C[C@@H]1C 1072776368 WXMALHAAEKYKOV-RYUDHWBXSA-N 321.381 -0.097 30 20 DBED CC#CCN1CCO[C@H]2CCN(C(=O)C3CN(C(C)=O)C3)C[C@H]21 1074226383 OQFHVZKYSSBWAR-CVEARBPZSA-N 319.405 -0.210 30 20 DBED N#CCN1CCO[C@@H]2CCN(C(=O)CN3CCCCC3=O)C[C@H]21 1074284744 RLLGNJZQOWHJSU-ZIAGYGMSSA-N 320.393 -0.176 30 20 DBED COc1cnc(C(=O)N2CC[C@@H]3OCCN(CC#N)[C@H]3C2)nc1 1074294227 KAHQQZKDOSGUAZ-STQMWFEESA-N 317.349 -0.076 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)CCc3cnn[nH]3)C[C@@H]21 1074340042 FZDGCPZZLZGDKG-KBPBESRZSA-N 303.366 -0.328 30 20 DBED COCC(=O)NCC1(O)CCN(C(=O)c2ccc(C#N)[nH]2)CC1 1074552696 MXJXKIXVMXRBES-UHFFFAOYSA-N 320.349 -0.384 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)n2nnnc2C(C)(C)C)C1 1077110449 RZDYOFYIGAEAMP-IJLUTSLNSA-N 320.397 -0.674 30 20 DBED C=CCN[C@H]1C[C@@H](NC(=O)CN2CC(=O)NC2=O)C12CCC2 1078749524 NNROGGHICDLRPN-WDEREUQCSA-N 306.366 -0.259 30 20 DBED C#CCCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2ccnn2C)C1 1081320815 IEHMCTJVRZFIFA-GXTWGEPZSA-N 318.377 -0.227 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)C#CC(C)C)C[C@H]1O 1081346673 LBYSWBBBYVZXKK-ZIAGYGMSSA-N 308.378 -0.216 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2ccn(C)n2)C1 1081497070 RZWDYKYCSJACGC-WCQYABFASA-N 306.366 -0.065 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2c[nH]nc2C)C1 1081636459 AIKYQHMTOUHLSG-WCQYABFASA-N 322.365 -0.530 30 20 DBED C=C(C)CCC(=O)N1C[C@@H](O)[C@H](CNC(=O)C2(C(N)=O)CC2)C1 1081717121 UHTCFYSVCHTOFR-VXGBXAGGSA-N 323.393 -0.456 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1ccc(N(C)C)nn1 1083250955 SUZIAUCXNHWWSS-UONOGXRCSA-N 315.377 -0.299 30 20 DBED Cn1cncc1CN1C[C@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 1083392292 AMFORJXNGHJGCH-KGLIPLIRSA-N 314.349 -0.405 30 20 DBED CN1CC[C@@H](C(=O)NC[C@H]2CC[C@@H](NCC#N)C2)S1(=O)=O 1086825850 JFXQZVYSTYRTIR-TUAOUCFPSA-N 314.411 -0.582 30 20 DBED N#Cc1cc(C(=O)N2C[C@H]3CCN(CC(N)=O)C[C@H]3C2)c[nH]1 1087940576 OJKGTZKVQJUFAZ-PWSUYJOCSA-N 301.350 -0.234 30 20 DBED COCCC(=O)N[C@@H]1CN(c2ccc(C#N)c(C)n2)C[C@H]1O 1090361287 UJJSUSDOZUYEIX-CHWSQXEVSA-N 304.350 -0.036 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2ccc(C(N)=O)o2)[C@@H](O)C1 1090415503 ATTYPELKXUDJQY-QWRGUYRKSA-N 305.334 -0.433 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2cc(C(N)=O)c[nH]2)[C@H](O)C1 1090676483 OXCQFHVNMSAIMW-WCQYABFASA-N 304.350 -0.698 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2c[nH]c(C)cc2=O)[C@@H](O)C1 1090697529 HBKVBCREEULDDX-ZFWWWQNUSA-N 303.362 -0.128 30 20 DBED C=CCN1CC[C@@H](NC(=O)c2nc(O)nc(O)c2OC)[C@@H](O)C1 1090717900 AGXFSJUGJMUWJG-BDAKNGLRSA-N 324.337 -0.753 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2noc3c2COCC3)[C@@H](O)C1 1090825202 XAUIPOBTWZRCQH-STQMWFEESA-N 319.361 -0.064 30 20 DBED C#CCN1CCC(C(=O)N[C@@H]2CCN(CC#C)C[C@@H]2O)CC1 1090830900 QNRFBLGUUBGKNC-CVEARBPZSA-N 303.406 -0.484 30 20 DBED C[C@@]12CN(CC#N)C[C@@H]1CN(C(=O)[C@@H]1CCS(=O)(=O)C1)C2 1091830958 AVVFAZHAZPTIJP-BZPMIXESSA-N 311.407 -0.275 30 20 DBED C[C@H](NC(N)=O)C(=O)NCC1CC(Nc2nccnc2C#N)C1 1092209756 LDCADNKDNNIIGT-IDKOKCKLSA-N 317.353 -0.288 30 20 DBED CS(=O)(=O)CC(=O)NCC1CC(N=c2cc[nH]c(C#N)n2)C1 1092212209 HGAQPVCTTVAADY-UHFFFAOYSA-N 323.378 -0.879 30 20 DBED Cc1cc(C#N)nc(NCCNC(=O)[C@@H]2CCCNC2=O)n1 1093946060 VCVQXUNVYKCFGD-LLVKDONJSA-N 302.338 -0.289 30 20 DBED Cc1cc(=NCCNC(=O)CC2CS(=O)(=O)C2)c(C#N)c[nH]1 1093963883 ZXOWSSOBVQTGSX-UHFFFAOYSA-N 322.390 -0.354 30 20 DBED N#Cc1nc(=NCCNC(=O)Cn2cc(Cl)cn2)cc[nH]1 1094151641 RYBCVJGDLXQSBR-UHFFFAOYSA-N 305.729 -0.152 30 20 DBED Cc1nsc(NCCNC(=O)[C@@H]2CC(=O)NC(=O)N2)c1C#N 1094168992 SJXYJEVTPZCMPH-QMMMGPOBSA-N 322.350 -0.551 30 20 DBED Cc1[nH]nc(C(=O)NCc2cn(C3CN(CC#N)C3)nn2)c1C 1094279421 LBCJNUVSAYQNOZ-UHFFFAOYSA-N 314.353 -0.072 30 20 DBED N#Cc1cncc(NCCCNC(=O)[C@@H]2CCNC(=O)C2)n1 1094382409 YBLMIPHALNMGEG-SNVBAGLBSA-N 302.338 -0.207 30 20 DBED C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1 1094787174 NJNUFGZJFDACRN-GYSYKLTISA-N 306.366 -0.664 30 20 DBED C[C@H](C(=O)NCCCN=c1cc[nH]cc1C#N)S(C)(=O)=O 1094877169 OFBLKGAKDGFYPE-SNVBAGLBSA-N 310.379 -0.274 30 20 DBED CC(=O)N[C@H](C)C(=O)N1CC[C@@H](Nc2nccnc2C#N)C1 1095009886 NIYFMSYLUXTIGB-MWLCHTKSSA-N 302.338 -0.114 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H](C)Nc1cncc(C#N)n1 1097768324 KEOARFDBZQSSEQ-JTQLQIEISA-N 300.322 -0.596 30 20 DBED C[C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)Nc1nccnc1C#N 1098264899 XYLANOYVJNEZMA-INTQDDNPSA-N 318.337 -0.702 30 20 DBED C=CCN1CCC2(CC1)CN(C(=O)[C@H]1CNC(=O)N1)C[C@H](C)O2 1098631142 QBYZWRZPUQLPSD-QWHCGFSZSA-N 322.409 -0.064 30 20 DBED C=CCCC(=O)N1CC[C@@H](n2cc(CNCC(=O)NC)nn2)C1 1098638188 VAUNYLJRTYORHW-CYBMUJFWSA-N 320.397 -0.147 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)Cn2cccn2)[C@@H](O)C1 1099663133 JRQJTNSIDGSKCV-KGLIPLIRSA-N 308.382 -0.363 30 20 DBED C=C(C)CCC(=O)N[C@H]1CCN(CCS(C)(=O)=O)C[C@H]1O 1099856318 VJZRHZNHZHVWDE-QWHCGFSZSA-N 318.439 -0.061 30 20 DBED Cc1ccc(C#N)c(N(C)CCNC(=O)Cn2cnnc2O)n1 1100030083 LWUKBYWRUMFASZ-UHFFFAOYSA-N 315.337 -0.189 30 20 DBED CN(CCNC(=O)C(=O)NCC(F)F)c1ccc(C#N)nc1 1100223963 WVHZZNKOJYBZNR-UHFFFAOYSA-N 311.292 -0.113 30 20 DBED COc1nn(C)cc1C(=O)NCCN(C)c1ccnc(C#N)n1 1100278808 QHNOAAIBCULKDZ-UHFFFAOYSA-N 315.337 -0.043 30 20 DBED C[C@H](C(=O)NCCN(C)c1cnc(C#N)cn1)S(C)(=O)=O 1100394203 QZDLYZSKLIETBD-SECBINFHSA-N 311.367 -0.666 30 20 DBED CCN(CCNC(=O)CCn1cncn1)c1cnc(C#N)cn1 1100474914 QSBXXGSVCQEMDF-UHFFFAOYSA-N 314.353 -0.027 30 20 DBED CCN(CCNC(=O)C(C)(C)C(N)=O)c1cncc(C#N)n1 1100640161 MMKDCJBNLMDPOV-UHFFFAOYSA-N 304.354 -0.198 30 20 DBED CNC(=O)CC(=O)NC[C@@H]1CCN(c2nc(C)cc(C#N)n2)C1 1100977656 USRJWHHRUJPJNC-NSHDSACASA-N 316.365 -0.265 30 20 DBED C=CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)CN(C)C(C)=O)C1 1101737694 ZZMNQMYUIKWUSA-TZMCWYRMSA-N 324.425 -0.549 30 20 DBED Cc1n[nH]cc1C(=O)NC[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1102207221 JYXHSRKFZALIJD-ZYHUDNBSSA-N 318.381 -0.344 30 20 DBED C=CCOCCN1C[C@@H](C)[C@H](CCNC(=O)Cn2ncnn2)C1 1102991028 DGPVWOXVVCQTAP-ZIAGYGMSSA-N 322.413 -0.050 30 20 DBED C[C@H](CNC(=O)[C@@H]1CNC(=O)N1)CNc1cnc(C#N)cn1 1104183016 ABOBHBMMKWXYLN-WPRPVWTQSA-N 303.326 -0.806 30 20 DBED CNC(=O)NCCC(=O)N(C)[C@@H](C)CNc1cncc(C#N)n1 1104546814 GWWFFSULYOLAHP-JTQLQIEISA-N 319.369 -0.074 30 20 DBED CCCC(=O)NCC(=O)N1CC(n2cc(CNCC#N)nn2)C1 1105178553 CQFLCDCXBJQBKU-UHFFFAOYSA-N 319.369 -0.809 30 20 DBED C=CCCNCc1cn(C2CN(C(=O)[C@H](C)NC(N)=O)C2)nn1 1105221225 CHTSRCXNPNPKTK-JTQLQIEISA-N 321.385 -0.616 30 20 DBED CNC(=O)CCCC(=O)NC[C@@H](O)CNc1ccc(C#N)nn1 1105795179 VIHTUQWGJALZQZ-NSHDSACASA-N 320.353 -0.846 30 20 DBED COCCO[C@H](C)C(=O)NC[C@H](O)CN=c1cc[nH]cc1C#N 1105963255 OSLCWPASTSMWDQ-DGCLKSJQSA-N 322.365 -0.684 30 20 DBED COCCO[C@H](C)C(=O)NC[C@@H](O)CNc1nccnc1C#N 1105963943 WDSOUEIBLSMFTC-MNOVXSKESA-N 323.353 -0.711 30 20 DBED Cc1n[nH]cc1C(=O)NC[C@H](O)CNc1cncc(C#N)n1 1106062077 BNJNQNKVWLBKDD-SNVBAGLBSA-N 301.310 -0.417 30 20 DBED CCN(CCNc1cnc(C#N)cn1)C(=O)c1nnn(C)n1 1106919016 RZYNHSZUPQVRCQ-UHFFFAOYSA-N 301.314 -0.554 30 20 DBED CC(=O)N1CC(C(=O)NC/C=C/CNc2cnc(C#N)cn2)C1 1107168122 BTELBJQEMQYPEL-NSCUHMNNSA-N 314.349 -0.089 30 20 DBED N#Cc1cncc(NC/C=C/CNC(=O)[C@@H]2COC(=O)N2)n1 1107176383 XLGXCSGFQCKTSD-YOLVWIGZSA-N 302.294 -0.459 30 20 DBED N#Cc1nc(=NC/C=C\CNC(=O)[C@@]2(F)CCOC2)cc[nH]1 1107482718 QSLSEHHTFVHVCV-DDGIKZQJSA-N 305.313 -0.017 30 20 DBED C#CCNC(=O)[C@H](C)N1CCO[C@@](C)(CNC(=O)C(F)F)C1 1107673860 XAWGCNRWELLUJG-HZMBPMFUSA-N 317.336 -0.404 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)c1ccnc2[nH]nnc12 1108227134 FGZAZUOLSMZDCD-MRVPVSSYSA-N 323.320 -0.333 30 20 DBED C[C@@H](CNc1ccc(C#N)nn1)NC(=O)C[C@@H]1CCC(=O)N1 1108448713 YKOAESLZVGLSIB-UWVGGRQHSA-N 302.338 -0.066 30 20 DBED C#CCC1(C(=O)N[C@H]2CC(=O)N(C3CN(CCO)C3)C2)CCC1 1108552354 JYNWIMCPRGPHAS-ZDUSSCGKSA-N 319.405 -0.426 30 20 DBED C=C[C@H](CC)CC(=O)N[C@H]1CC(=O)N(C2CN(CC(N)=O)C2)C1 1108566841 OVHGCEOLDQQMOP-NEPJUHHUSA-N 322.409 -0.525 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)CN(C)CCC)CC2=O)C1 1108587492 OQUWQWKWZQFUGC-ZDUSSCGKSA-N 308.426 -0.085 30 20 DBED C#CCNC(=O)CN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)COCC)C2 1108611168 TZUILFTVPUWBCA-MJBXVCDLSA-N 307.394 -0.259 30 20 DBED C[C@@H](CNc1nccnc1C#N)NC(=O)[C@]1(C)CCC(=O)N1 1108671507 NEBJKBLZJPPHHI-XPTSAGLGSA-N 302.338 -0.066 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)[C@H]1C[C@H]1C(=O)N(C)C 1108701307 QWNDYPBZBMKEII-GARJFASQSA-N 316.365 -0.589 30 20 DBED CCN1C[C@H](C(=O)N[C@@H](C)CN=c2cc[nH]c(C#N)n2)CC1=O 1108748058 MCYMIANOUNCEAV-WDEREUQCSA-N 316.365 -0.445 30 20 DBED Cn1cnnc1COCC(=O)N1C[C@H]2C[C@@H](NCC#N)C[C@H]1C2 1108789478 KYJPCDAGQWCSER-YNEHKIRRSA-N 318.381 -0.176 30 20 DBED C[C@@H](CN(C)c1cnc(C#N)cn1)NC(=O)C[C@@H]1CCC(=O)N1 1109007388 QYQULHTZBIYSER-QWRGUYRKSA-N 316.365 -0.042 30 20 DBED COC[C@H](OC)C(=O)N[C@@H](C)CN(C)c1cnc(C#N)cn1 1109221756 ZGTCFLUZNFHEQL-JQWIXIFHSA-N 307.354 -0.049 30 20 DBED C[C@@H](C(=O)N(C)CCCN=c1cc[nH]c(C#N)n1)n1cncn1 1109409986 GGAGGTRNDNHMFN-NSHDSACASA-N 314.353 -0.117 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H]1[C@H]2COC[C@H]21 1109620976 WGSBOIXRJLTCFY-XBGPERTJSA-N 317.389 -0.650 30 20 DBED N#Cc1cnc(NC[C@@H](NC(=O)[C@H]2CNC(=O)N2)C2CC2)cn1 1109963333 BKRCHITTYORESC-GHMZBOCLSA-N 315.337 -0.664 30 20 DBED N#Cc1cnc(NC[C@H](NC(=O)C2(C(N)=O)CC2)C2CC2)cn1 1109963480 GIEOLHYCSOXDKA-NSHDSACASA-N 314.349 -0.080 30 20 DBED CNC(=O)NCC(=O)N[C@@]1(C)CCN(c2ccc(C#N)cn2)C1 1110822539 NEATZEKVYJFLKK-HNNXBMFYSA-N 316.365 -0.033 30 20 DBED CNC(=O)NC(=O)CN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)C#N)C1 1111666617 HNXAZIDMDDTEHH-PGUXBMHVSA-N 321.381 -0.428 30 20 DBED C=CCOCCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CNC(=O)N2)C1 1111854849 WCEJFBNQPNIXCH-XEZPLFJOSA-N 322.409 -0.159 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)[C@@H]2CCO[C@H]2C2CC2)CC1 1113131219 WOMPNZPUUCZSAA-HIFRSBDPSA-N 320.393 -0.415 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)NCC2CC2)CC1 1113471782 NLNINUAOPWWTMO-LBPRGKRZSA-N 322.409 -0.653 30 20 DBED C[C@@H](CNC(=O)c1ncn(C)n1)N(C)c1nccnc1C#N 1113582341 FCIHMZZBBUMCCX-VIFPVBQESA-N 300.326 -0.269 30 20 DBED C[C@H](CNC(=O)C(=O)NCC1CC1)N(C)c1cncc(C#N)n1 1113691852 IFMXHEUCTXIVRZ-SNVBAGLBSA-N 316.365 -0.185 30 20 DBED C[C@H](CNC(=O)Cc1nc[nH]n1)N(C)c1ccnc(C#N)n1 1113715178 ULSJUHVUJUVMAI-SECBINFHSA-N 300.326 -0.350 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3ccoc3C)[C@H]2C1 1113831563 PKDFZXMZHVUYEE-NHAGDIPZSA-N 301.346 -0.003 30 20 DBED Cc1ccnc(C(=O)NC2[C@H]3CN(CC(=O)NCC#N)C[C@H]23)n1 1114189236 LDSAZKCWZBJKRO-QWRGUYRKSA-N 314.349 -0.915 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H]1[C@@H]2CN(Cc3nonc3C)C[C@@H]21 1114271244 RPJKRHQEOPWCND-CIQGVGRVSA-N 304.350 -0.037 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)[C@H](C)NC(=O)CC)[C@@H]2C1 1114321271 JRVQKJVHVTUCDC-QJPTWQEYSA-N 322.409 -0.750 30 20 DBED C=CCC(CC=C)C(=O)NC1[C@H]2CN(CC(=O)NC(N)=O)C[C@H]12 1114326730 VRFBNZGKHOLGMW-RYUDHWBXSA-N 320.393 -0.004 30 20 DBED CC1(C)CN(c2nccnc2C#N)C[C@H]1NC(=O)CNC(N)=O 1114423493 KQXMPQRBVNTFGK-SNVBAGLBSA-N 317.353 -0.652 30 20 DBED COCC#CCN1C[C@@H]2C(NC(=O)c3cnnc(O)c3)[C@H]2C1 1114436306 DYKSETVIQADCGY-RYUDHWBXSA-N 302.334 -0.508 30 20 DBED C=CC(C)(C)C(=O)NC1[C@@H]2CN([C@@H](C)C(=O)NC(N)=O)C[C@@H]12 1114692224 CTWMRJBTXAPTEM-IVZWLZJFSA-N 308.382 -0.172 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)C3CCN(C)CC3)[C@@H]2C1 1114769372 DPTVEYSVDWEETO-ZIAGYGMSSA-N 318.421 -0.876 30 20 DBED C[C@@H](CCCN=c1cc[nH]cc1C#N)NC(=O)Cn1cnnn1 1114838818 IWGUHRXASNHXIL-NSHDSACASA-N 314.353 -0.241 30 20 DBED C[C@@H](CCCN=c1cc[nH]c(C#N)n1)NC(=O)[C@H](C)NC(N)=O 1114905618 STSAKNCAYPEPSI-UWVGGRQHSA-N 319.369 -0.476 30 20 DBED CCc1noc(COCC(=O)N[C@H]2[C@@H]3CN(CC#N)C[C@@H]32)n1 1115101195 QPSSIKNKJABNCH-MSRIBSCDSA-N 305.338 -0.281 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)NC1[C@H]2CN(CCCO)C[C@H]12 1115302963 WREJUYUNBNKYIQ-RYUDHWBXSA-N 324.425 -0.321 30 20 DBED N#CCC1CCN(C(=O)C(=O)NCC(=O)N2CCOCC2)CC1 1117347128 IQWFTCHXLKQNMQ-UHFFFAOYSA-N 322.365 -0.886 30 20 DBED C#CCSCCNC(=O)C(=O)N1CCO[C@@H](COC)C1 1117461195 DEHFHFROIDNQDQ-LLVKDONJSA-N 300.380 -0.657 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)C(=O)N2CC[C@H](n3cccn3)C2)C1 1118187566 ABQJMLSKXIPGJH-SWLSCSKDSA-N 317.349 -0.466 30 20 DBED N#Cc1cnc(N[C@H](CO)CNC(=O)[C@H]2CCC(=O)N2)c(F)c1 1121235743 RCGKQFRJIORFNF-GXSJLCMTSA-N 321.312 -0.740 30 20 DBED CCNC(=O)CC(=O)NC[C@H](CO)Nc1ccc(C#N)nc1 1121464319 KZYONGHUDREJKJ-GFCCVEGCSA-N 305.338 -0.632 30 20 DBED CO[C@H](C(=O)NC[C@@H](CO)N=c1cc(C)[nH]cc1C#N)C1CC1 1121505183 KPJJIGCQIAWRKH-ZFWWWQNUSA-N 318.377 -0.002 30 20 DBED C[C@@H](C(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1)C(C)(F)F 1122550667 QBRJEIPJPHUXMC-IUCAKERBSA-N 313.308 -0.050 30 20 DBED C[C@@H]1[C@@H](NC(=O)CC(N)=O)CCCN1c1nccnc1C#N 1123523285 SOQCPLYXKMKGJQ-ZJUUUORDSA-N 302.338 -0.303 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)CCOC(C)C 1123835361 ZMUXLEAULGUFIP-UHFFFAOYSA-N 314.386 -0.481 30 20 DBED CC1(C)CN(C(=O)CNC(N)=O)C[C@H]1N=c1cc[nH]cc1C#N 1123901060 IOUZFBHPQIOFLF-GFCCVEGCSA-N 316.365 -0.308 30 20 DBED C=C[C@](C)(O)CC(=O)N(C)C[C@H](O)CN=c1cc[nH]c(C#N)n1 1124266649 KDLYEBYNTRQJGF-ABAIWWIYSA-N 319.365 -0.672 30 20 DBED COCCN(CCNC(=O)[C@H](C)C#N)c1ccc2nnnn2n1 1126261135 JRPSEEDBYLAHEO-SNVBAGLBSA-N 318.341 -0.752 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)C[C@H]2CCNC2=O)C1=O 1129297787 OPOPLKQFOMBQMK-VXGBXAGGSA-N 308.382 -0.995 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)COCc1cc(C)no1 1130120615 KDDWOIJQGMZQRA-GFCCVEGCSA-N 324.381 -0.104 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)CC)C[C@H]1c1cncn1C 1130883150 YHROHELMFUBHAV-CHWSQXEVSA-N 317.393 -0.537 30 20 DBED C[C@@H]1CC[C@@H](NC(=O)c2cn(C)nn2)CN1CC(=O)NCC#N 1132037927 KXZCSKQNGKYTSE-GHMZBOCLSA-N 319.369 -0.962 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)[C@@]2(C)CCNC2=O)C1=O 1133766387 CTFWGQNOPOCRGT-NHYWBVRUSA-N 308.382 -0.995 30 20 DBED N#Cc1ccc(CNCCNC(=O)C2CC(=O)NC(=O)C2)s1 1135269583 NUFXBERARXIRRB-UHFFFAOYSA-N 320.374 -0.122 30 20 DBED CC(C)OCCC(=O)N1CC2(CCN(CC(=O)NCC#N)C2)C1 1147061598 ORNGKTXWQANDGW-UHFFFAOYSA-N 322.409 -0.024 30 20 DBED N#CCNC(=O)CN1CCC2(C1)CN(C(=O)C[C@@H]1CCOC1)C2 1147269205 ZTFGZKUKYQAIEN-ZDUSSCGKSA-N 320.393 -0.413 30 20 DBED C=CCNC(=O)CN1CCC2(C1)CN(C(=O)CCCC(N)=O)C2 1148910162 CXDWCAHMMADREK-UHFFFAOYSA-N 322.409 -0.522 30 20 DBED C=CCN1CCCO[C@H](CNC(=O)CC2CS(=O)(=O)C2)C1 1149931340 ZOIJNHIWDLFHGQ-CYBMUJFWSA-N 316.423 -0.186 30 20 DBED N#CCN1CCCO[C@H](CNC(=O)CCCCNC(N)=O)C1 1149947303 VTJCXASXABOZOG-GFCCVEGCSA-N 311.386 -0.444 30 20 DBED C=CCNC(=O)NC(=O)CNCCCNC(=O)CSC 1154417586 HERMQVAPMHJHGX-UHFFFAOYSA-N 302.400 -0.543 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)c1n[nH]c(C)c1O 1156634037 IUGMSYHEHUVDSV-SNVBAGLBSA-N 309.370 -0.176 30 20 DBED N#CCN1CC=C(CCNC(=O)CN2CCNC(=O)C2)CC1 1160860192 FKWGFROHPZUYGW-UHFFFAOYSA-N 305.382 -0.920 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1cnn(C)c1Cl 1161033092 MUVKZZMSRDBBGD-UHFFFAOYSA-N 311.773 -0.468 30 20 DBED C#CCN1CCC(CNC(=O)CS(C)(=O)=O)(COC)CC1 1162145667 ANGMQXNYPGWFKT-UHFFFAOYSA-N 316.423 -0.491 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)C[C@@H]1CCCC(=O)N1 1162183471 HZRHGSYWPZXWIW-OLZOCXBDSA-N 324.425 -0.168 30 20 DBED COCC1(CNC(=O)C(C)(C)C(N)=O)CCN(CC#N)CC1 1162315519 RFAFBBFRELTQNX-UHFFFAOYSA-N 310.398 -0.134 30 20 DBED C[C@@H](NCC1(CCNC(=O)C#CC2CC2)CC1)C(=O)NC(N)=O 1164479772 WXPXQPKBNRKLQO-LLVKDONJSA-N 320.393 -0.141 30 20 DBED COCC#CCNCCCNC(=O)[C@@H](C)CS(C)(=O)=O 1177069442 NSMPAGNTGXDQBW-LBPRGKRZSA-N 304.412 -0.587 30 20 DBED C=CCO[C@@H](C)C(=O)NCCCNCCN1C(=O)CNC1=O 1177278004 ZMEUBNYPWLJMHG-NSHDSACASA-N 312.370 -0.775 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)[C@]2(COC)CCOC2)C1 1184637909 NKXJDRVAPKOUOC-ZBFHGGJFSA-N 310.394 -0.120 30 20 DBED C=CCNC[C@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C[C@H]1C 1185752454 SFXNPSCILLJHIH-VXGBXAGGSA-N 320.397 -0.363 30 20 DBED CC#CCN[C@@H]1CCN(C(=O)C2CC3(C2)NC(=O)NC3=O)C1 1186249606 GQNMCIXYJHDSSI-LOIXOFCESA-N 304.350 -0.812 30 20 DBED C=CCOCC(=O)N1CC[C@@H](N(C)CCN2C(=O)CNC2=O)C1 1189364121 QNOCPFKKXQRJLO-GFCCVEGCSA-N 324.381 -0.727 30 20 DBED C=CCNC(=O)[C@H](C)N(C)[C@H]1CCN(C(=O)c2cnnn2C)C1 1189932466 GSAZWEPTRVEODQ-RYUDHWBXSA-N 320.397 -0.348 30 20 DBED COCC#CCN(C)[C@H]1CCN(C(=O)c2cn(C)c(=O)cn2)C1 1191440231 BOMZNJMIUDFNLY-ZDUSSCGKSA-N 318.377 -0.424 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)COCCC=C)C1 1194381744 MRKUFPZVTFIYAF-CQSZACIVSA-N 307.394 -0.139 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1CN(C[C@@H](O)Cn2cccn2)C[C@H]1O 1195333630 LJZIVAAOPAZXOG-MGPQQGTHSA-N 322.409 -0.383 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@@]23COC[C@@H]2C3)CC1 1195901059 VYRNOXZOOXBXOS-BBRMVZONSA-N 305.378 -0.693 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CN(CCCOCC)C[C@H]2O)nn1 1196765613 ZSFZBZOFTLDVLB-TZMCWYRMSA-N 323.397 -0.334 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)COCc2nc(CC)no2)C1 1197650195 LAAGWCREXXHUFW-VXGBXAGGSA-N 324.381 -0.114 30 20 DBED COc1ccccc1[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)NCC#N 1198875499 BFGSCGLYDDEULH-NEPJUHHUSA-N 317.349 -0.353 30 20 DBED CC1(C)C[C@@H]1C(=O)N1CCCO[C@H](CNCC(=O)NCC#N)C1 1200283296 QQYHMPRXURBULL-CHWSQXEVSA-N 322.409 -0.121 30 20 DBED C#CCNC[C@@H]1CN(C(=O)[C@H](OC)c2cnn(C)c2)CCCO1 1201081617 YFZCKFQZZGWTDP-HUUCEWRRSA-N 320.393 -0.052 30 20 DBED COCC(=O)N(C)CC(=O)N[C@@H]1C[C@@H](NCC#N)C12CCC2 1203004288 GVJCJYBDVXWHBU-VXGBXAGGSA-N 308.382 -0.368 30 20 DBED C=CCN[C@@H]1C[C@@H](NC(=O)CNC(=O)CNC(C)=O)C12CCC2 1203095869 VBWBLIFXTDRIEH-CHWSQXEVSA-N 322.409 -0.558 30 20 DBED CNS(=O)(=O)CC(=O)N[C@@H]1C[C@@H](NCC#N)C12CCC2 1203742407 NFBFNICTLWUPTQ-NXEZZACHSA-N 300.384 -0.924 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)CNC(=O)CC)CC1 1204812014 TYIPBRMAMZDIOV-UHFFFAOYSA-N 322.409 -0.910 30 20 DBED C#CCOCCC(=O)N1CCC[C@H](N[C@@H](C)C(=O)NC(N)=O)C1 1208029329 TUGYWQKEZLYXTR-RYUDHWBXSA-N 324.381 -0.810 30 20 DBED CC#CCN[C@H]1CCCN(C(=O)CCS(=O)(=O)NC)C1 1208038941 SAIDGQAFOGCBBC-LBPRGKRZSA-N 301.412 -0.470 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@@]2(F)CCOC2)C1 1209243037 SUXHGHSOLUKHES-IUODEOHRSA-N 311.357 -0.555 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCN(C(=O)c2ccc(O)nc2)C1 1210919874 OVNQWGQQMJXDIP-GFCCVEGCSA-N 317.349 -0.379 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)C(F)=C(C)C)[C@H](OC)C1 1212120062 AXVAQHLQUZLFRH-VXGBXAGGSA-N 311.357 -0.185 30 20 DBED CO[C@@H]1CN(CCOCCO)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 1212127662 UMAWSEWOYKADTO-ZIAGYGMSSA-N 322.365 -0.676 30 20 DBED C=CCCN1C[C@@H](NC(=O)COCc2ncnn2C)[C@H](OC)C1 1213653817 JUBURHLSJZNXFN-CHWSQXEVSA-N 323.397 -0.277 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(CCn2cncn2)C[C@H]1OC 1213964216 RPFGMCFGCHXHDQ-MGPQQGTHSA-N 323.397 -0.315 30 20 DBED C=CCO[C@H](C)C(=O)N1C[C@@H](NCc2nnn(C)n2)[C@H](C)C1 1216930660 PJOVKDIAFXDGKI-IJLUTSLNSA-N 308.386 -0.262 30 20 DBED C=CCOCC(=O)N1CCO[C@@H]2CN(Cc3nncn3C)C[C@@H]21 1217550145 QVKGKWLHYGLAFA-QWHCGFSZSA-N 321.381 -0.571 30 20 DBED C=CCOCCCC(=O)N[C@@H]1CN(Cc2n[nH]c(C)n2)C[C@@H]1O 1219426721 MXSXNROAJSKCAZ-OLZOCXBDSA-N 323.397 -0.243 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)CC2CCN(C)CC2)C1 1220478749 JPDCOKFSWJZUJG-CVEARBPZSA-N 323.437 -0.471 30 20 DBED CCCn1cc(C(=O)N[C@@H]2CN(CC#CCOC)C[C@@H]2O)nn1 1220635253 PUKCBQWYNRBKHC-OCCSQVGLSA-N 321.381 -0.887 30 20 DBED CS[C@H](C)C(=O)N1C[C@H]2CCN(CC(=O)NCC#N)C[C@H]21 1221302564 NZYZSDLKYQWURO-IJLUTSLNSA-N 310.423 -0.090 30 20 DBED C=CCCOCC(=O)N1C[C@H]2CCN(Cc3nnnn3C)C[C@H]21 1222064283 MXEHKBDJTMMNDP-CHWSQXEVSA-N 320.397 -0.165 30 20 DBED CC#CCN1CCC(CNC(=O)CN(C)C(=O)COC)CC1 1223383263 UMHDHMLEWOPMQS-UHFFFAOYSA-N 309.410 -0.057 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC(NC(=O)CC(C)(C)O)CC1 1227139121 WAPZPAGTLYWFPF-GFCCVEGCSA-N 309.410 -0.134 30 20 DBED C#CCN1CCS(=O)(=O)[C@@H](CCNC(=O)Cc2ncc[nH]2)C1 1230512152 JPQODAUEQWLFRU-LBPRGKRZSA-N 324.406 -0.809 30 20 DBED C=C[C@](C)(O)CC(=O)N(C)C[C@H]1CCN1Cc1nc(=O)n(C)[nH]1 1233977750 OKXSRTQDJJKTCX-ABAIWWIYSA-N 323.397 -0.532 30 20 DBED CN(C[C@H]1CCN1CC(=O)NCC#N)C(=O)[C@@H]1CC1(F)F 1234089957 WMZXOBXIUCMADE-ZJUUUORDSA-N 300.309 -0.186 30 20 DBED C[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](C#N)C2)C[C@@H](C2CC2)O1 1261323113 WJMUUNOFJNPTBH-RTXFEEFZSA-N 307.350 -0.237 30 20 DBED CC[C@@H](C(=O)N[C@@H]1CN(CC(=O)NCC#N)CC1(C)C)N(C)C 1282833337 NGFFUMGSHGIJQG-QWHCGFSZSA-N 323.441 -0.207 30 20 DBED CN(C)S(=O)(=O)c1ccc(C(=O)OCC(=O)NCC#N)o1 1318620005 HBBVFFDDYLZKLI-UHFFFAOYSA-N 315.307 -0.674 30 20 DBED COCC1(NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1 1319794335 VEOIBIGJZYIHSJ-VAWYXSNFSA-N 308.338 -0.009 30 20 DBED C#CCN1CCN(CN2C[C@@H](c3cncn3C)CC2=O)CC1 1320307952 FETXGYATTCPOFM-AWEZNQCLSA-N 301.394 -0.056 30 20 DBED CC[C@@H](CC#N)NC(=O)C(=O)Nc1cc(C)n(CC(=O)NC)n1 1320701450 GSPOKIQRBJYYAZ-JTQLQIEISA-N 320.353 -0.316 30 20 DBED N#CCN1CCC(NC(=O)NCCn2cnc(C#N)n2)CC1 1322632535 NNZXAIBBZZJSRO-UHFFFAOYSA-N 302.342 -0.563 30 20 DBED N#CCNC(=O)CNC(=O)C(=O)Nc1scnc1C1CC1 1323121099 NAIMRMSEOQYUJK-UHFFFAOYSA-N 307.335 -0.285 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@H]1C[C@@H](C(=O)OC)C1)[C@H]1CCCO1 1325716686 LEGBABMPTFDGEZ-WHOHXGKFSA-N 308.334 -0.649 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)N2CCC3(CCOCC3)C2)C1 1326227503 NUGLKROQIZKUHP-INIZCTEOSA-N 321.377 -0.107 30 20 DBED C=CCOCCNC(=O)C(=O)N[C@@H](COC)[C@H]1CCCO1 1328145661 HLNZUQSRKYYHOX-NWDGAFQWSA-N 300.355 -0.385 30 20 DBED C#CCn1cc(CNC(=O)[C@H](NC(=O)C2CC2)[C@H](C)O)cn1 1328677308 YWVOIGANQSOQEH-GXFFZTMASA-N 304.350 -0.592 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)NC[C@]1(OC)CCOC1 1333014783 ZPAVANSBDFCCND-SWLSCSKDSA-N 312.366 -0.547 30 20 DBED C#CCO[C@@H](C)c1nc(-c2cn(CCO)c(=O)nc2O)no1 1334873794 PFORMDADRRYFEK-QMMMGPOBSA-N 306.278 -0.298 30 20 DBED C=CCNC(=O)[C@@H](C#N)C(=O)C1CCC2(CC1)NC(=O)NC2=O 1342567588 VLKXGZIAMSGCEA-VOZQYIJBSA-N 318.333 -0.234 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CN3CCC2CC3)C1=O 1353787449 DMQIEFURFHSIDI-NSHDSACASA-N 320.349 -0.826 30 20 DBED C=CCN(C(=O)C(=O)N[C@@H]1COCC[C@H]1OC)[C@@H](C)COC 1355035886 PWWVMRPGDUWEPH-YNEHKIRRSA-N 314.382 -0.044 30 20 DBED Cn1c(=O)[nH]c(NC[C@@H]2CCCS(=O)(=O)C2)c(C#N)c1=O 1364188050 FDKXVXXBPUQZBY-QMMMGPOBSA-N 312.351 -0.818 30 20 DBED C[C@H](CC(N)=O)C(=O)N[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 1372277914 BSSVWOOXEVZJLF-KOLCDFICSA-N 317.349 -0.271 30 20 DBED COC(=O)NCC(=O)N[C@@](C)(CNC(=O)[C@H](C)C#N)C1CC1 1375341013 HEYFQZKDVLOJTK-OTYXRUKQSA-N 310.354 -0.097 30 20 DBED C=C(Cl)CN[C@@H](C)CN(C)C(=O)CNC(=O)CNC(C)=O 1379147377 FQEGSYBKLXDUHB-JTQLQIEISA-N 318.805 -0.572 30 20 DBED CNC(=O)NCC(=O)N1CC[C@@]2(CCN(C(=O)[C@@H](C)C#N)C2)C1 1379260163 QQXPIXMJSVNPLH-XHDPSFHLSA-N 321.381 -0.474 30 20 DBED CCN(CCC#N)C(=O)CNC[C@@H]1CN(C(=O)C2CC2)CCO1 1380894599 BTBZEGJZPGUDDL-CQSZACIVSA-N 322.409 -0.024 30 20 DBED COc1cnc(C(=O)N2CC[C@H](NC(=O)[C@H](C)C#N)C2)nc1 1385866205 PPMVZZUXWPLELS-ZJUUUORDSA-N 303.322 -0.024 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CCCN1C(=O)CCS(C)(=O)=O 1391088923 LYZSQBMKBJWPAG-GHMZBOCLSA-N 315.395 -0.312 30 20 DBED C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)CNC(=O)[C@@H]1COC(=O)N1 1391217354 IWHPCXVUQGUUTQ-KWQFWETISA-N 319.321 -0.523 30 20 DBED Cc1nc(C(=O)NC[C@]2(O)CCN(C(=O)[C@H](C)C#N)C2)co1 1394635709 VNASLWHZTRBUKR-YMTOWFKASA-N 306.322 -0.164 30 20 DBED Cc1nc(CC(=O)N2CC[C@@H](CNC(=O)[C@@H](C)C#N)C2)n[nH]1 1397652529 IDSUPNXTMATLGI-ONGXEEELSA-N 304.354 -0.220 30 20 DBED CCN(CCC#N)C(=O)CN1CC[C@@H]1CNC(=O)c1cnn[nH]1 1406868930 UECZGZXOMBZVBB-LLVKDONJSA-N 319.369 -0.629 30 20 DBED C[C@@H](C#N)C(=O)NCCN1CCN(C(=O)c2cnn(C)c2)CC1 1407446302 IEUJMIKIUBKDRF-LBPRGKRZSA-N 318.381 -0.546 30 20 DBED CCOC(=O)C[C@H](C)CNC(=O)Cn1cc(C#N)c(O)nc1=O 1417702584 FCVGQDZMRMVFPI-VIFPVBQESA-N 322.321 -0.474 30 20 DBED CN(CCN(C)C(=O)c1cc(C#N)c[nH]1)C(=O)c1cnn(C)n1 1431362644 VGOJDHOOGRNYFM-UHFFFAOYSA-N 315.337 -0.141 30 20 DBED CNC(=O)[C@@H](C)CN(C)C(=O)CCn1cc(C#N)c(O)nc1=O 1433773152 ODGSDKHGKKHKQG-VIFPVBQESA-N 321.337 -0.949 30 20 DBED N#Cc1cc(C(=O)N2CCN(CC(N)=O)C(=O)C2)ccc1F 1434071537 KUGIBODIOGLTKG-UHFFFAOYSA-N 304.281 -0.533 30 20 DBED CCOC(=O)CN(CC(N)=O)S(=O)(=O)CC1(CC#N)CC1 1434546147 ROMAHMHCMGFMHO-UHFFFAOYSA-N 317.367 -0.640 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C(=O)[C@H](C)CS(C)(=O)=O)CC1 1453483615 BNATZKVDITZHRK-WDEREUQCSA-N 315.395 -0.502 30 20 DBED CCN(CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)C(=O)[C@@H](C)C#N 1455685830 UDFUCTAQXQTJCJ-GARJFASQSA-N 310.354 -0.856 30 20 DBED C=C(C)C(C)(C)C(=O)NCC1(O)CN(C[C@H](O)COC)C1 1500896959 CNAKKAWIBPKZPK-LBPRGKRZSA-N 300.399 -0.241 30 20 DBED C[C@@H]1C[C@@H](C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)CO1 1515131166 OUVRCLWCWBYEDT-MXWKQRLJSA-N 314.363 -0.623 30 20 DBED CN(CCNC(=O)c1cccn2nnnc12)c1cncc(C#N)n1 1565599706 LSDCTNYFTPEBIV-UHFFFAOYSA-N 323.320 -0.348 30 20 DBED C#Cc1ccc(C(=O)N2CC(NC(=O)[C@H]3C[C@H]3C(=O)O)C2)cn1 1573312175 NRVDBSWPGGDYIH-QWHCGFSZSA-N 313.313 -0.276 30 20 DBED C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN 1574921262 WOBULWNAMIUKHB-JTQLQIEISA-N 316.431 -0.141 30 20 DBED CNC(=O)NC[C@H]1COCCN1C(=O)[C@H](N)CCCCC#N 1578558214 RITGXYOYBAUYHD-NWDGAFQWSA-N 311.386 -0.446 30 20 DBED Cc1cc(C#N)cc(NC(=O)[C@@]23CNC[C@@H]2CS(=O)(=O)C3)n1 1579553793 CDVADYXASWSCQY-BXUZGUMPSA-N 320.374 -0.166 30 20 DBED N#CCCCCNC(=O)NCC[C@H]1CNCCS1(=O)=O 1580051190 APSJLINCPYLHBX-NSHDSACASA-N 302.400 -0.244 30 20 DBED N#Cc1ncc(NC[C@H]2CCN(C(N)=O)C2)nc1-c1nn[nH]n1 1581884153 MXJGBBZGWVXNOU-SSDOTTSWSA-N 314.313 -0.659 30 20 DBED C#CCOCCN(C)C(=O)Cc1ccc(-c2nn[nH]n2)nc1 1588362901 YCAPLEIBHGPMLE-UHFFFAOYSA-N 300.322 -0.088 30 20 DBED C#CCOCn1c(=O)c(-c2nn[nH]n2)c(C)n(C2CC2)c1=O 1588363738 XQBIYRSHMOZGSU-UHFFFAOYSA-N 302.294 -0.559 30 20 DBED C#C[C@H](NC(=O)C(=O)NC[C@H](CC(=O)O)C1CC1)[C@H]1CCCO1 1588370870 PHFUQBQTXIQNPT-RWMBFGLXSA-N 322.361 -0.100 30 20 DBED C#CC[C@@H]1CCCN(C(=O)C(=O)N2CCO[C@H](C(=O)O)C2)C1 1588392168 UVPKEOUBLJJWHJ-NEPJUHHUSA-N 308.334 -0.440 30 20 DBED C#CCN(CC(=O)O)S(=O)(=O)C[C@]1(OC(C)C)CCOC1 1588425203 JINXJNIIDBCLRE-ZDUSSCGKSA-N 319.379 -0.080 30 20 DBED C=C[C@@H]1OCC[C@H]1NC(=O)[C@H](C)n1cnc(-c2nn[nH]n2)n1 1588728587 SLXIMJJXDGHTSQ-YIZRAAEISA-N 304.314 -0.521 30 20 DBED CC(C)(CC#N)CNC(=O)C(=O)N1CCO[C@H](CC(=O)O)C1 1590615384 USWKAFZAQNXYAE-SNVBAGLBSA-N 311.338 -0.255 30 20 DBED CN(C(=O)Cn1cnc(-c2nn[nH]n2)n1)[C@H]1CCC[C@@H]1C#N 1590986351 PCTMNKQVDOMLCW-BDAKNGLRSA-N 301.314 -0.391 30 20 DBED CN(CC(=O)O)C(=O)CNS(=O)(=O)c1cccc(C#N)c1 1593720248 IDYQGUIQBDMKIR-UHFFFAOYSA-N 311.319 -0.620 30 20 DBED N#CCC1CCN(C(=O)C(=O)N2C[C@H](O)C[C@@H](C(=O)O)C2)CC1 1601064173 NNQQAPRWWNDZEH-VXGBXAGGSA-N 323.349 -0.567 30 20 DBED CCS(=O)(=O)N(C)CC(=O)N1CCC(C#N)(C(=O)O)CC1 1605727075 XCGIIFFWCNCKGT-UHFFFAOYSA-N 317.367 -0.515 30 20 DBED C=C1CCC(C(=O)NC[C@H](O)CNC[C@H](O)COC)CC1 1715603298 JOBSKISLKHTWJO-KGLIPLIRSA-N 300.399 -0.193 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@H]1C[C@H](N[C@@H](C)C(=O)NC(N)=O)C1 1752628508 VPRWSSUXILIXJX-RUMNANIHSA-N 312.370 -0.866 30 20 DBED C=CCNC(=O)CN(C)CCNC(=O)c1ccn(C)c(=O)c1 1753056001 NHCYHFHTANUKOD-UHFFFAOYSA-N 306.366 -0.651 30 20 DBED C#CCNC(=O)CN1CCC[C@H]1CNC(=O)c1ccnc(O)c1 1753100637 CFVQRSBDYHIWPL-ZDUSSCGKSA-N 316.361 -0.269 30 20 DBED C=CCN1CC[C@H](NCCN(C)C(=O)c2cncnc2)C1=O 1753182635 FPXKPNIIJRTAHL-ZDUSSCGKSA-N 303.366 -0.075 30 20 DBED COCC#CCNCCC1CCN(C(=O)Cn2cnnn2)CC1 1753563997 UGGZBCDQAVMMEC-UHFFFAOYSA-N 320.397 -0.459 30 20 DBED C[C@H](NC(=O)CNC[C@@H](O)CNC(=O)C#CC1CC1)C1CC1 1753910648 ACMSTCFVPZZMIS-SMDDNHRTSA-N 307.394 -0.619 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](O)CNCC(=O)NCC 1753930389 GHGORFMWTITXDJ-OBJOEFQTSA-N 313.398 -0.830 30 20 DBED C#CCNC(=O)CN1CC(N(C)C(=O)CCN2CCCCC2)C1 1754587694 WCXCFVCPQFDWSK-UHFFFAOYSA-N 320.437 -0.246 30 20 DBED C#CCCNC1CCN(CCNC(=O)C(C)(C)C(N)=O)CC1 1754849216 LFOVIINDRVOQDE-UHFFFAOYSA-N 308.426 -0.309 30 20 DBED C=CCNCCN(CCO)C(=O)c1cc2c(=O)[nH]c(C)cn2n1 1754888272 OVQJLDLKCNXLPA-UHFFFAOYSA-N 319.365 -0.459 30 20 DBED Cn1c(O)nc2ccc(C(=O)N(CCO)CCNCC#N)cc21 1754898778 JAPWCCYHZQQJPT-UHFFFAOYSA-N 317.349 -0.173 30 20 DBED C[C@@H](C(=O)N1CC[C@H](CCNCC#N)C1)N1C(=O)CCC1=O 1754917144 JNUPFMCFURKAHH-RYUDHWBXSA-N 306.366 -0.124 30 20 DBED C#CCNC(=O)CN1C[C@H](NC(=O)CN(C)CCC)C(C)(C)C1 1755415316 HXFNYBCGKDQNKB-AWEZNQCLSA-N 322.453 -0.096 30 20 DBED C#CCCN(C)C1CCN(C(=O)CS(=O)(=O)N(C)C)CC1 1755536393 RKPUKHCZVGKYIC-UHFFFAOYSA-N 315.439 -0.176 30 20 DBED CN(C(=O)C#CC1CC1)[C@@H](CNC(=O)[C@H]1COC(=O)N1)C1CC1 1756413031 JXUNOESCIRQCHP-OLZOCXBDSA-N 319.361 -0.139 30 20 DBED C#CCO[C@H](C)C(=O)NC1CC(N(C)C(=O)CCCC(N)=O)C1 1756743717 CRBUBXBLIWUSRE-PNESKVBLSA-N 323.393 -0.214 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1CN(C(=O)Cc2cnc[nH]2)C[C@@H]1O 1757198898 CMMSNZHXRBEONZ-NEPJUHHUSA-N 306.366 -0.148 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H]1CN(C)C(=O)COC(C)C 1757279206 UFKMKCCQCYMXCQ-CYBMUJFWSA-N 323.393 -0.390 30 20 DBED N#Cc1ncn(CCNC(=O)N[C@@H]2CCc3c[nH]nc3C2)n1 1771700068 OFUYRZLRDUILTO-SNVBAGLBSA-N 300.326 -0.270 30 20 DBED C[C@@H](Oc1cccc(C=NNCCS(N)(=O)=O)c1)C(=O)O 1776047032 RYRFYPOXPYDYPU-SECBINFHSA-N 315.351 -0.250 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)NC[C@@]1(C(=O)O)CCCOC1 1776398545 OBVFQSPEBPDCJW-JQWIXIFHSA-N 319.383 -0.064 30 20 DBED CN(C1CCOCC1)S(=O)(=O)N[C@@H](CCC#N)C(=O)O 1777046242 YGCBAPPCUMYVKP-JTQLQIEISA-N 305.356 -0.311 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(O)n[nH]1)CCO2 1783049641 JTYJNMDLTUPTOF-CQSZACIVSA-N 304.306 -0.808 30 20 DBED N#CCN(C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)C1CC1 65895154 XTMDLUIFSLFIBD-UHFFFAOYSA-N 306.347 -0.001 30 20 DBED C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N(C)C[C@@H](C)C#N 87168180 OEYZIXXRBIYQSP-UWVGGRQHSA-N 313.383 -0.295 30 20 DBED C[C@H](NS(=O)(=O)c1ccc(C#N)nc1)[C@H]1CN(C)CCO1 125789118 YQKGXHDQRHIJJL-GXFFZTMASA-N 310.379 -0.049 30 20 DBED C[C@@H](CC#N)N(C)CCn1cnc2c1c(=O)n(C)c(=O)n2C 182458503 BBGRETHLTCBSNR-JTQLQIEISA-N 304.354 -0.332 30 20 DBED C[C@H]1CCNC(=O)[C@H]1NC(=O)CNC(=O)c1ccc(C#N)cc1 195152048 UGCYLGHMNOPOJH-HZMBPMFUSA-N 314.345 -0.071 30 20 DBED C/N=C(/NC[C@@H]1CCCO1)N1CCN(c2cnn(C)c2)C(=O)C1 261736787 MDKDHUXYSIUVCE-ZDUSSCGKSA-N 320.397 -0.177 30 20 DBED C#C[C@@H](C)NC(=O)C(=O)N1C[C@H](C(=O)NC)Oc2ccccc21 275932257 IMNVVICIPIVLNT-ZWNOBZJWSA-N 315.329 -0.336 30 20 DBED COCC[C@@H](NS(=O)(=O)c1cccnc1C#N)C(=O)OC 289853517 KUZUCKGZYUUYCO-SECBINFHSA-N 313.335 -0.190 30 20 DBED N#CCCN(CCN1CCOCC1)C(=O)c1cc2n(n1)CCO2 290114857 ROXRXBYEAGEGGT-UHFFFAOYSA-N 319.365 -0.036 30 20 DBED CC(C)(C)n1cc(C#N)cc1NC(=O)NC(CO)(CO)CO 296285101 JEFZQIBXPLMTPM-UHFFFAOYSA-N 310.354 -0.048 30 20 DBED C[C@H](O)C[C@H]1COCCN1/C(O)=N/CCN1CCN=C(O)C1 329870194 ZYRLEGWCHKXHHZ-RYUDHWBXSA-N 314.386 -0.356 30 20 DBED CCO[C@@H]1C[C@@H](O)C12CCN(/C(O)=N/Cc1nnn(C)n1)CC2 330235051 TUDMPNBXCBGBAW-GHMZBOCLSA-N 324.385 -0.124 30 20 DBED CN(C)C1CCN(CC/N=C(/O)N2CCO[C@@H](CO)C2)CC1 330497661 ZYNSPNCXVVASPL-CQSZACIVSA-N 314.430 -0.381 30 20 DBED CC(C)(O)CN1CCN(/C(O)=N/CCN2CCOCC2)CC1 330796020 BANINAOOGWQVHZ-UHFFFAOYSA-N 314.430 -0.379 30 20 DBED Cc1cnn(CC/N=C(/O)N2CC[C@@H](S(N)(=O)=O)C2)c1 331302081 XEFZUOUUKDRTTN-SNVBAGLBSA-N 301.372 -0.532 30 20 DBED COC(=O)[C@@H]1COCCN1S(=O)(=O)N(C)C[C@H](C)C#N 337081893 YWPXTZFZFZBYJS-ZJUUUORDSA-N 305.356 -0.804 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H](CO)[C@@H]1CCCO1 337157077 PKQRZWNXGXIMHT-WOPDTQHZSA-N 305.400 -0.158 30 20 DBED COC(=O)[C@@H]1CN(S(=O)(=O)N(C)CCC#N)C[C@H](C)O1 337959432 ICJHQGOCUXGQRL-UWVGGRQHSA-N 305.356 -0.661 30 20 DBED CC(=O)N1CC[C@H](CN(C)c2c(C#N)c(=O)n(C)c(=O)n2C)C1 339054114 MGTUUYOJIVESCU-LLVKDONJSA-N 319.365 -0.740 30 20 DBED CC(C)(CNC(=O)C(=O)N1CCC(C#N)CC1)N1CCOCC1 339625755 FEQYYCOOBUHLJW-UHFFFAOYSA-N 322.409 -0.024 30 20 DBED C=CCCOCCNC(=O)C(=O)NCCN1CCOC[C@H]1C 342015311 FJPNIHVVEYCYRP-CYBMUJFWSA-N 313.398 -0.468 30 20 DBED COC(=O)[C@@H](O)CNS(=O)(=O)Cc1cc(C#N)ccc1F 352078146 VONQGPYBCBMRET-NSHDSACASA-N 316.310 -0.349 30 20 DBED N#CCCC[C@H](N)C(=O)N1CCN(CC(=O)NC2CC2)CC1 424135372 MFFCXLOADUUOKE-ZDUSSCGKSA-N 307.398 -0.570 30 20 DBED CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)[C@@H](N)CCCC#N 424139915 RUJJEWDHIOVHMZ-SDDRHHMPSA-N 316.427 -0.158 30 20 DBED C=CCCn1cc(C(=O)N2CCC[C@H](S(N)(=O)=O)C2)nn1 424687792 VPJXDSOKEYVAGY-JTQLQIEISA-N 313.383 -0.253 30 20 DBED CN1C(=O)CC[C@@H](NC(=O)C(=O)Nc2ccc(C#N)cc2)C1=O 425825530 JYQQOMISAVNXGE-LLVKDONJSA-N 314.301 -0.240 30 20 DBED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCNC(=O)[C@H]2C)n1 439196031 DIUGNVSQEGLGGZ-SECBINFHSA-N 318.337 -0.379 30 20 DBED Cc1nnsc1CNS(=O)(=O)N1CCO[C@@H](C#N)C1 490426356 PARJKFSFCDTRDA-QMMMGPOBSA-N 303.369 -0.595 30 20 DBED C#CCN1CCN(C(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)CC1 490799185 CXTSBMGKUZFQIL-OKILXGFUSA-N 315.373 -0.285 30 20 DBED N#Cc1ccc(S(=O)(=O)N2C[C@@H](CO)[C@H](CO)C2)c(F)c1 528467045 HMSGJLSCGZJGHP-QWRGUYRKSA-N 314.338 -0.081 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N[C@@H]1CCCN(CCCO)C1 568262772 XJCPPJAPAQPHHF-QWHCGFSZSA-N 318.443 -0.098 30 20 DBED C[C@H]1C[C@@H](CO)CCN1S(=O)(=O)N1CCO[C@@H](C#N)C1 576378875 PMAUAOLHTHZGJD-SRVKXCTJSA-N 303.384 -0.452 30 20 DBED C[C@@H](N)[C@@H]1CCCCN1C(=O)C(=O)N1CCN(CCC#N)CC1 601583338 PABOTDMUKLHHFR-KGLIPLIRSA-N 321.425 -0.227 30 20 DBED CC(C)(C)NS(=O)(=O)CC(=O)N1CCN(CC#N)CC1 610397176 ZTILBJPGOJIWJP-UHFFFAOYSA-N 302.400 -0.628 30 20 DBED CC#CC[C@H](CO)NC(=O)NC[C@H]1CC[C@@H](C(=O)N(C)C)O1 645413548 AVQGYZCJNLVELC-UPJWGTAASA-N 311.382 -0.304 30 20 DBED C=CC[C@H]1CCCN(C(=O)C(=O)N2CCO[C@@H](C(N)=O)C2)C1 658523963 LZHDJEMSHXCXTM-NWDGAFQWSA-N 309.366 -0.486 30 20 DBED C#CCOCCNC(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1 753228458 RYGYOXNHKXNTKE-UHFFFAOYSA-N 324.358 -0.675 30 20 DBED CC1(O)CN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 765450360 KKVZIRBOCUWLEK-UHFFFAOYSA-N 323.374 -0.292 30 20 DBED C#C[C@H](N[C@H](C)C(=O)N[C@H]1CCS(=O)(=O)C1)[C@@H]1CCCO1 775792741 ILFHUHSTKLCONO-VOAKCMCISA-N 314.407 -0.551 30 20 DBED CN(C)S(=O)(=O)CC(=O)NCCNc1ccc(C#N)cn1 785191531 NAIWTKDVNWCZCN-UHFFFAOYSA-N 311.367 -0.627 30 20 DBED N#Cc1cc(C(=O)OCC(=O)N2CCCC[C@@H]2C(N)=O)c[nH]1 786900508 PIPYWNKSYOSSEH-LLVKDONJSA-N 304.306 -0.090 30 20 DBED N#C[C@H]1CN(S(=O)(=O)NCc2nc(C3CC3)no2)CCO1 800012491 MBTWKPUURGJMSE-VIFPVBQESA-N 313.339 -0.494 30 20 DBED C#C[C@H](NC(=O)C(=O)NC[C@H]1CCCN1CC)[C@@H]1CCCO1 809312365 MHUDZEPFTLPOHO-RDBSUJKOSA-N 307.394 -0.116 30 20 DBED C#CCNC(=O)CCNCC1(NS(C)(=O)=O)CCCCC1 818946909 YNNHPLOGLVKNEF-UHFFFAOYSA-N 315.439 -0.032 30 20 DBED C#CC[C@@H](CO)NC(=O)c1ccc(F)c(S(=O)(=O)NC)c1 820059342 BJDKDUNBSPZMGV-JTQLQIEISA-N 314.338 -0.152 30 20 DBED N#CCN1CCN(C(=O)[C@H]2CNC(=O)C[C@@H]2C(F)(F)F)CC1 820146834 WCEVRDWCOUWTQB-UWVGGRQHSA-N 318.299 -0.031 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N[C@@H](C#C)[C@@H]1CCCO1 829213978 DMJJYSVDRBYSRV-KBPBESRZSA-N 306.362 -0.218 30 20 DBED C#CCn1cc(CNC(=O)CNS(=O)(=O)CCCC)cn1 834611902 IDJUHHWKNOZOAY-UHFFFAOYSA-N 312.395 -0.148 30 20 DBED C#CCOc1cccc(NC(=O)C(=O)N2CCO[C@@H](CN)C2)c1 841213887 RINHMYQOAMOSJK-AWEZNQCLSA-N 317.345 -0.177 30 20 DBED C=C(C)CONC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 846539872 PACCVYQVCSUAEZ-CYBMUJFWSA-N 311.382 -0.209 30 20 DBED Cc1nn(CC(=O)[C@H](C#N)C(=O)Nc2ccccn2)c(=O)n1C 847627671 ARKGYQIGDMLXIT-JTQLQIEISA-N 314.305 -0.367 30 20 DBED C#CCSCCNC(=O)C(=O)NC[C@H](C(=O)O)C(C)C 848611956 UNMYVHHQARIUQJ-JTQLQIEISA-N 300.380 -0.058 30 20 DBED C#CC[C@H](CO)NC(=O)CNC(=O)c1cc(OC)cc(OC)c1 854547945 MCNJXSRMKOULFQ-GFCCVEGCSA-N 320.345 -0.066 30 20 DBED C#CC[C@H](CO)NC(=O)CCc1ccc(S(N)(=O)=O)cc1 854548045 PAEKTLUSGLWMIQ-GFCCVEGCSA-N 310.375 -0.233 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)NCCc1cnccn1 875100157 JPOCMXXWNIDJKW-GFCCVEGCSA-N 304.350 -0.320 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCN(C(=O)c3cc[nH]n3)C2)nn1 937968433 AFDHTNHUYOPNQZ-JTQLQIEISA-N 315.337 -0.168 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCN(C(=O)c3cc[nH]n3)C2)nn1 940504678 AFDHTNHUYOPNQZ-SNVBAGLBSA-N 315.337 -0.168 30 20 DBED C[C@H](C#N)C(=O)N1CCCN(C(=O)[C@@H]2CCNC(=O)C2)CC1 940734801 WSSFPVSSIHSMRX-VXGBXAGGSA-N 306.366 -0.267 30 20 DBED C[C@H](O)CN1CC(N2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)C1 941365418 ARBXLZHRKOEDMR-LBPRGKRZSA-N 317.393 -0.291 30 20 DBED N#CCN1C[C@H]2CCN(C(=O)CCn3cnnn3)CC[C@H]2C1 946830986 BEWKZCRFWKEAPM-BETUJISGSA-N 303.370 -0.243 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(NC(=O)Cn2cnnc2O)CC1 948096327 KAJUBOCUYCLJCW-VIFPVBQESA-N 306.326 -0.749 30 20 DBED CC#CCN1CCOC2(CCN(C(=O)Cn3cncn3)CC2)C1 949523389 PLIHOVFTABVPQF-UHFFFAOYSA-N 317.393 -0.005 30 20 DBED CN1CCO[C@@H](C(=O)N[C@H]2CCCN(C(=O)C#CC3CC3)C2)C1 950758386 HZEZBCIRJUXFCX-LSDHHAIUSA-N 319.405 -0.162 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H](NC(=O)c2nccnc2N)C1 951865487 SGXSPVHWAFEPHZ-ZJUUUORDSA-N 302.338 -0.061 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CCC[C@H](C1)N2C(=O)[C@@H]1CNC(=O)N1 952785645 ONOWTBCNOLPAOO-YFKTTZPYSA-N 319.365 -0.581 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@]1(C)CCN(C(=O)C(N)=O)C1 957012075 ZGTNORHMSMRBLX-ZETOZRRWSA-N 309.366 -0.440 30 20 DBED C#CCCN1C[C@@H](O)[C@H](CNC(=O)c2cnc3n2CCOC3)C1 958151561 JZEYIZCXMZQWMS-TZMCWYRMSA-N 318.377 -0.541 30 20 DBED C=CCN1C[C@H](CNC(=O)c2cnc3c(c2)nnn3C)[C@@H](O)C1 958268708 XDNUEBBEKGARPZ-AAEUAGOBSA-N 316.365 -0.428 30 20 DBED CC#CCN1C[C@H](CNC(=O)c2c[nH]c(C)cc2=O)[C@@H](O)C1 958564655 XOWHVQHIMGNRLU-WFASDCNBSA-N 303.362 -0.271 30 20 DBED N#CCN1C[C@H](O)[C@H](CNC(=O)c2ncoc2-c2ccon2)C1 958593893 CTOSIJYHSXZKLK-KOLCDFICSA-N 317.305 -0.124 30 20 DBED CC#CCN1C[C@H](CNC(=O)c2cnn3cc[nH]c23)[C@@H](O)C1 958619352 ROYUBSVOFROMTP-AAEUAGOBSA-N 301.350 -0.292 30 20 DBED C#CCN1CCC(C(=O)NC[C@@H]2CN(CC#CC)C[C@@H]2O)CC1 958723754 JMKNVLPEXYHAIH-SJORKVTESA-N 317.433 -0.236 30 20 DBED C=CCN1C[C@@H](O)[C@H](CNC(=O)c2cc(C(N)=O)ccn2)C1 958770331 OKQXKZFRDNCORB-DGCLKSJQSA-N 304.350 -0.611 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCCN2C)C1 958924638 SWMYCCUXTKOYKW-XUXIUFHCSA-N 322.409 -0.340 30 20 DBED C#CCCN1C[C@H]2C(NC(=O)[C@@H]3CCCCN3C(N)=O)[C@@H]2C1 962274477 STLBNWODMXNPHE-UPJWGTAASA-N 304.394 -0.011 30 20 DBED CCCn1nc(C(=O)NC2[C@@H]3CN(CC#N)C[C@@H]23)ccc1=O 962527893 QGCPFKKHOFSZPM-GHMZBOCLSA-N 301.350 -0.163 30 20 DBED O=C1CC[C@@H](C(=O)NC[C@H]2COCCN2C(=O)C#CC2CC2)N1 964276794 GCAXIXQZFOFKBU-STQMWFEESA-N 319.361 -0.978 30 20 DBED C[C@H](C#N)C(=O)N1CCOC2(CN(C(=O)c3ccnnc3)C2)C1 965465729 KRXADXHOOHKDLF-LLVKDONJSA-N 315.333 -0.310 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1COC(=O)N1 968939317 JQKUTLNKWBAVNG-ZNSHCXBVSA-N 306.322 -0.544 30 20 DBED Cn1cc(C(=O)N2CC[C@]3(CN(CC#N)CCO3)C2)n(C)c1=O 972694633 OANPTGVRUORBEZ-HNNXBMFYSA-N 319.365 -0.836 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@@H]2CC(=O)N(CCOC)C2)C(C)(C)C1 974646793 WVZHLXDNWHJDTN-ZIAGYGMSSA-N 321.421 -0.059 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)c3c[nH]c(=O)cn3)[C@H]2C1 977068038 BEKCZBBPMKCBGH-XBWDGYHZSA-N 301.306 -0.884 30 20 DBED C#Cc1ccc(C(=O)N(C)C[C@@H]2CCN2C(=O)CC(N)=O)nc1 978109394 SFNCCPOTNLQLQF-LBPRGKRZSA-N 314.345 -0.389 30 20 DBED N#CCN1C[C@@H]2CC[C@@H](NC(=O)c3nnc(O)nc3O)C[C@H]2C1 980146756 URIAQTMHBGAXPH-LPEHRKFASA-N 318.337 -0.363 30 20 DBED C#CCN[C@@H]1C[C@H](C)N(C(=O)c2ccc(-n3cnnn3)cn2)C1 989219628 CWJYEIIYNZYGHB-NWDGAFQWSA-N 311.349 -0.117 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CCN(C(=O)c3nc[nH]n3)C[C@H]2O)C1 991773806 VXWMSVCVDZGBEX-GHMZBOCLSA-N 319.365 -0.147 30 20 DBED C=C[C@@](C)(CC)C(=O)N1CC(NC(=O)C2CS(=O)(=O)C2)C1 991914868 PIBPCCJRZONFSG-AWEZNQCLSA-N 314.407 -0.040 30 20 DBED CC(=O)N1CCC[C@H](C(=O)NC2CN(C(=O)[C@H](C)C#N)C2)C1 995428631 UKCLCQYIBCLHOM-PWSUYJOCSA-N 306.366 -0.268 30 20 DBED CC1(C)CN(C(=O)c2nccnc2C(N)=O)C[C@H]1NCC#N 996584304 KQSOIMNBHCLIMG-SECBINFHSA-N 302.338 -0.461 30 20 DBED C#Cc1cncc(C(=O)N2CC(CNC(=O)c3[nH]nnc3C)C2)c1 1003538607 GRVLZIZUQHRPPZ-UHFFFAOYSA-N 324.344 -0.009 30 20 DBED CC1(C)CN(C(=O)C(N)=O)C[C@@H]1NC(=O)c1cc(C#N)c[nH]1 1008021079 KWZJMPGRNSKWBZ-JTQLQIEISA-N 303.322 -0.662 30 20 DBED N#CCN1CCC[C@H](NC(=O)c2ccc(-n3cnnn3)cn2)C1 1008050796 DHEHEQKPNGYSSP-NSHDSACASA-N 312.337 -0.225 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)C1 1019367026 OHWRNFDCESBYNG-MXWKQRLJSA-N 304.350 -0.672 30 20 DBED C[C@H]1[C@@H](NC(=O)[C@]2(C)CCC(=O)N2)CCN1C(=O)[C@H](C)C#N 1020538239 BCENZZFWTGHLFW-LMCGPQHNSA-N 306.366 -0.080 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CCN(C(=O)CN3CCOCC3)[C@@H]2C1 1021414626 BHKBNSBZGWKALM-HZSPNIEDSA-N 320.393 -0.462 30 20 DBED CN1CC[C@@H](C(=O)NC[C@@H]2CCCCN2CC#N)S1(=O)=O 1024704319 KBYOWMRVIRJFBE-RYUDHWBXSA-N 314.411 -0.485 30 20 DBED O=C(N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O)c1ncccn1 1025257076 HNZVGMMJPDYGTB-VXGBXAGGSA-N 300.318 -0.809 30 20 DBED C=C(C)CN1CC[C@H](CNC(=O)c2cn(CC(N)=O)nn2)C1 1029000418 CUQSNTRNXYMANX-LLVKDONJSA-N 306.370 -0.609 30 20 DBED CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3CC#N)O1 1032625469 QUIHKJTYBHDSIK-ZDEQEGDKSA-N 306.366 -0.569 30 20 DBED C=CCN1CC[C@H](N2CC[C@H](N(C)C(=O)c3cnn[nH]3)C2)C1=O 1033222826 SHRSGIRFMCQFGE-AAEUAGOBSA-N 318.381 -0.262 30 20 DBED C=C(C)CN1CCO[C@@H](CNC(=O)c2nnc(O)nc2O)C1 1035432708 RFLPVNLXEHPEST-VIFPVBQESA-N 309.326 -0.711 30 20 DBED C=CCN1CCO[C@@H](CNC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 1035458186 CHLBMSVRQFBAKZ-STQMWFEESA-N 319.365 -0.632 30 20 DBED C#CCCN1CCO[C@@H](CNC(=O)[C@H]2CN(C(C)C)CCO2)C1 1035484067 WSCWGZGGTQKJNS-JKSUJKDBSA-N 323.437 -0.064 30 20 DBED CC#CCN1CCO[C@@H](CNC(=O)c2cn(C)c(=O)n2C)C1 1035615946 BWKZWSFKWZQALA-LBPRGKRZSA-N 306.366 -0.822 30 20 DBED C=CCn1cc(C(=O)N2CCC3(CC2)CN(CCO)C3)nn1 1035812384 LSWOWSGOTBPXON-UHFFFAOYSA-N 305.382 -0.006 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2CCN2CC(=O)N2CCC2)nn1 1038784800 VODZPQMTELRKJY-GFCCVEGCSA-N 318.381 -0.500 30 20 DBED CCn1nccc1C(=O)NC[C@]1(O)CCN(C(=O)[C@@H](C)C#N)C1 1039549014 BUQQGDDGMOGFPL-XHDPSFHLSA-N 319.365 -0.244 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC[C@](O)(CNC(=O)c2ncc[nH]2)C1 1039662024 KBLYERSKHVPQLI-NHYWBVRUSA-N 322.365 -0.306 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@]1(O)CCN(C(=O)C(C)(F)F)C1 1039722805 YZPOLPBLIRFYJP-HZMBPMFUSA-N 318.320 -0.241 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@]1(O)CCN(C(=O)C2(C)CC2)C1 1039725840 LRYDGPFZIRNSFE-LRDDRELGSA-N 308.378 -0.096 30 20 DBED N#Cc1cccnc1N1C[C@@H](O)[C@H](NC(=O)c2cnon2)C1 1041135258 RICINYVCYZLQKT-GHMZBOCLSA-N 300.278 -0.684 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)[C@]3(F)CCOC3)C2)nn1 1041304314 JVPNFXGAOUKHMG-GYSYKLTISA-N 321.312 -0.857 30 20 DBED C=CCN1CC[C@H](N2CC[C@]3(CCN(C(=O)C(N)=O)C3)C2)C1=O 1041621631 DTNPFQJHHLDTLZ-LRDDRELGSA-N 320.393 -0.817 30 20 DBED N#Cc1c[nH]c(C(=O)NCC2(O)CN(C(=O)[C@H]3CC3(F)F)C2)c1 1042392838 XGZHHFCFSYNRRZ-SECBINFHSA-N 324.287 -0.155 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)Cn2cccn2)C1 1042936900 UEDSGHIQCIGMPV-UHFFFAOYSA-N 304.350 -0.768 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)[C@H](CC)OC)C1 1043039006 BJFDZNLIOQWBGO-NEPJUHHUSA-N 312.366 -0.861 30 20 DBED CC[C@@H]1[C@@H](C(=O)NCC2(O)CN(C(=O)[C@H](C)C#N)C2)CCN1C 1043273196 XXWOXTNNWCDPMM-FRRDWIJNSA-N 322.409 -0.434 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H]2CN(c3ccc(C#N)nn3)C[C@@H]21 1043679888 FJGFVOANGLDSDZ-KGYLQXTDSA-N 312.333 -0.076 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)C(C)(C)c2cnc[nH]2)C1 1044014341 AWLYWFFVPVPYMZ-SNVBAGLBSA-N 319.365 -0.464 30 20 DBED Cc1conc1C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1044171561 HGGHFBDHVUQLMR-ZJUUUORDSA-N 314.305 -0.376 30 20 DBED C#CCN[C@@H]1CCN(C(=O)CCn2ncn(C)c2=O)[C@H](C)C1 1044691212 KUEDQJQXIOGYOR-CHWSQXEVSA-N 305.382 -0.426 30 20 DBED C=CCCn1cc(C(=O)N2CC[C@H](NCC(N)=O)C[C@@H]2C)nn1 1044771647 MHNXYOAGUQPQEF-RYUDHWBXSA-N 320.397 -0.078 30 20 DBED CC#CCCCC(=O)NCC1(O)CN(C(=O)c2ccnnc2)C1 1044999407 ZHQBMSCPDCLPLQ-UHFFFAOYSA-N 316.361 -0.027 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)CC[C@@H]2CCOC2)C1 1045539890 ARCZOWFBRQJXBP-VXGBXAGGSA-N 309.366 -0.348 30 20 DBED CC(C)n1cc(C(=O)N2CC(O)(CNC(=O)[C@@H](C)C#N)C2)nn1 1045546460 MLXWFJJFIDIPMG-JTQLQIEISA-N 320.353 -0.678 30 20 DBED CCN1CCCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@@H](C)C#N)C1 1045560461 WFDRFMMVSUKGMD-STQMWFEESA-N 322.409 -0.290 30 20 DBED CC#CCN1CC[C@@](C)(NC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 1046505362 HDFLPTVKKRMTQG-XJKSGUPXSA-N 315.377 -0.031 30 20 DBED C=CCCCC(=O)N1CC(O)(CNC(=O)Cc2nc[nH]n2)C1 1046905842 ZYWJQXITIGLFFN-UHFFFAOYSA-N 307.354 -0.607 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cc(COC)on2)C1 1047554381 DSFBXGZOWCNAGS-KBPBESRZSA-N 307.350 -0.039 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)C(C)(C)N2CCOCC2)C1 1047565559 KTWPWCJPBCNGMR-GJZGRUSLSA-N 323.437 -0.376 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCN2C(N)=O)C1 1047645579 YRYRVQMJDZWIMT-AVGNSLFASA-N 308.382 -0.944 30 20 DBED C=C[C@@](C)(O)CC(=O)N(C)[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 1048762291 RKGNWLCHMXLYTR-GRDNDAEWSA-N 320.389 -0.243 30 20 DBED CN(C(=O)c1nc[nH]n1)[C@H]1CN(C(=O)C#CC(C)(C)C)C[C@@H]1O 1049196228 GTVNICXCVJPFQP-QWRGUYRKSA-N 319.365 -0.502 30 20 DBED C#CCCN1C[C@@H]2CCCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)[C@@H]2C1 1050152204 IEDUQMOOOKFFDY-RWMBFGLXSA-N 318.377 -0.469 30 20 DBED C#CCN1C[C@@H]2CCCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)[C@@H]2C1 1050152572 URRCZQOKLDATIT-SDDRHHMPSA-N 304.350 -0.860 30 20 DBED C=CCOCC(=O)N1CC[C@H]([C@@H](C)NC(=O)Cn2cnnn2)C1 1050296345 DEENHMCENWHGNW-NEPJUHHUSA-N 322.369 -0.771 30 20 DBED CNC(=O)CC(=O)N1CC[C@H]([C@@H](C)NC(=O)C#CC2CC2)C1 1050539344 XPKFSVYUGJXGTI-YPMHNXCESA-N 305.378 -0.111 30 20 DBED C#CCCN1CCOC[C@H]1CNC(=O)c1cn(C)nc1OC 1051058126 PMBCOPZOBIBAJS-GFCCVEGCSA-N 306.366 -0.117 30 20 DBED C=CCN1CCOC[C@@H]1CNC(=O)[C@H]1CCCS(=O)(=O)C1 1051143639 HYVRYNMNQYFXJJ-STQMWFEESA-N 316.423 -0.186 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@H]([C@H](C)NC(=O)C(N)=O)C2)cn1 1051309927 YTWRAEANNPAJHA-JQWIXIFHSA-N 314.345 -0.485 30 20 DBED C=CC(C)(C)C(=O)N1CCO[C@@H](CN[C@@H]2CCC(=O)NC2=O)C1 1051752585 MLRQHMIFCIDBKH-NWDGAFQWSA-N 323.393 -0.179 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2CCC3(CN(CCO)C3)O2)nn1 1053676583 FUKAWNKAASIVOV-LBPRGKRZSA-N 321.381 -0.580 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)c3ccn(CCOC)n3)CO2)C1 1053867537 MXEHDKYUTAWCNV-ZDUSSCGKSA-N 318.377 -0.264 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)C(=O)N3CCC(C)CC3)CO2)C1 1053948690 QRGQTLMLBFCCJE-CQSZACIVSA-N 319.405 -0.162 30 20 DBED Cn1nncc1C(=O)N[C@H]1[C@@H]2CN(c3ccc(C#N)cn3)C[C@@H]21 1056194548 NKWPLNGRCCGCDH-YABSGUDNSA-N 309.333 -0.054 30 20 DBED CN(c1ccncc1C#N)[C@H]1CCN(C(=O)Cn2cnnn2)C1 1056850264 XHEBRRSUMRYATE-LBPRGKRZSA-N 312.337 -0.323 30 20 DBED C=C[C@](C)(O)CC(=O)N(CCO)CCNC(=O)COCCC 1057450160 MHPQILOCZXXETL-HNNXBMFYSA-N 316.398 -0.323 30 20 DBED COc1cccnc1C(=O)N(CCO)CCNC(=O)[C@H](C)C#N 1058258989 SLMWKPAZBJRCNA-LLVKDONJSA-N 320.349 -0.199 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)Cc1cncs1 1058659458 ZLXKFTBXZZHGHL-JTQLQIEISA-N 310.379 -0.218 30 20 DBED COC(=O)[C@H]1C[C@@H]1C(=O)N[C@H]1C[C@H](N=c2cc[nH]c(C#N)n2)C1 1059165017 OGGVSKHBXDGCSK-NAKRPEOUSA-N 315.333 -0.362 30 20 DBED N#CCSCC(=O)N1CCOC[C@@H]1CNC(=O)c1cn[nH]c1 1061331947 PLYZOHHKGSTKDX-NSHDSACASA-N 323.378 -0.376 30 20 DBED C=CCOCC(=O)NC[C@@H]1COCCN1C(=O)c1n[nH]cc1C 1061424544 WGVYLWAEUUDSGM-GFCCVEGCSA-N 322.365 -0.122 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1C[C@H]1C 1061517756 FIPKJRPCKMBXDA-FRRDWIJNSA-N 321.377 -0.875 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCOC[C@@H]1CNC(=O)c1nc[nH]n1 1061766468 KUVVLZLWBGZAOR-HZMBPMFUSA-N 323.353 -0.911 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2c1nccn2nnnc12 1061939256 VYGQAZPSHPEOJI-MXWKQRLJSA-N 312.337 -0.141 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1(CNC(=O)CNC(C)=O)CCC1 1062412997 MMLXHVFPOIMDCS-OLZOCXBDSA-N 323.393 -0.131 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(NC(=O)[C@@H]2CCC(=O)N2)CCC1 1062869559 FXKUWWBEPWISNV-NHYWBVRUSA-N 323.393 -0.253 30 20 DBED Cn1cnc(C(=O)N[C@H]2[C@H]3C[C@H]2N(c2ccnc(C#N)n2)C3)n1 1064242553 PEGGFNXMRSYYEA-SBMIAAHKSA-N 310.321 -0.516 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)CS(C)(=O)=O)CCC1 1064302903 WDTBVSKGYGPAHP-SECBINFHSA-N 301.368 -0.654 30 20 DBED C=C1CC(C)(C(=O)NC[C@H]2CN(C(=O)CNC(C)=O)CCO2)C1 1064781653 QHIZIMKAONWEFN-ZDUSSCGKSA-N 323.393 -0.178 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2)CCO1 1064973838 FXHHOWDTGUZUDP-CHWSQXEVSA-N 319.361 -0.978 30 20 DBED C[C@H](NC(N)=O)C(=O)N[C@H]1CCCN(C(=O)C#CC2CC2)CC1 1066085631 OJWSTTMIJLNGKS-AAEUAGOBSA-N 320.393 -0.046 30 20 DBED N#Cc1cncc(N2CCOC[C@@H]2CNC(=O)[C@H]2CCCO2)n1 1066457799 SHNISUPDZFUYBV-QWHCGFSZSA-N 317.349 -0.151 30 20 DBED C#CCO[C@H](C)C(=O)N(C)CCCN(C)C(=O)c1cn(C)nn1 1067330485 DOVKWXHJBIFFLN-GFCCVEGCSA-N 321.381 -0.226 30 20 DBED CCN(CC1CCN(C(=O)C(N)=O)CC1)c1ccc(C#N)nn1 1067637967 SDUPXRCFGOJSNZ-UHFFFAOYSA-N 316.365 -0.102 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCCN(C)C(=O)[C@H]1CCN(C)C1=O 1067982469 UBASPCANUHGPLC-NWDGAFQWSA-N 308.382 -0.069 30 20 DBED N#Cc1nccc(N2C[C@H]3CC[C@H]2CN3C(=O)c2cnn[nH]2)n1 1068072078 YTPDGTWRQWMSHR-VHSXEESVSA-N 310.321 -0.040 30 20 DBED C=CC(C)(C)C(=O)N1CC2(CC[C@H](CNC(=O)C(N)=O)O2)C1 1068617483 AGZCWQOQTDXILU-SNVBAGLBSA-N 309.366 -0.440 30 20 DBED COCC(=O)N[C@H]1COC2(C1)CN(C(=O)c1cc(C#N)c[nH]1)C2 1068651827 HIWOHASGMBWUSX-LLVKDONJSA-N 318.333 -0.368 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H]2CCCNC2=O)C1 1069950392 RGMYRZMZRLZRFC-XQQFMLRXSA-N 318.381 -0.668 30 20 DBED CN1CCC[C@H]1C(=O)N1C[C@H](n2ccnn2)[C@H](NCC#N)C1 1070158439 KLPRBJMHJRIKQA-AGIUHOORSA-N 303.370 -0.763 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC[C@@H](NC(=O)Cn2cncn2)C1 1070731921 QFFCULSXMSITRR-QWHCGFSZSA-N 319.365 -0.576 30 20 DBED C=CCN1C[C@H]2C[C@H]3CN(C(=O)[C@H]4CC(=O)N(C)C4)C[C@@]3(C1)O2 1070806636 QTVXDEFQUYAEJR-SZOQZIPDSA-N 319.405 -0.048 30 20 DBED C#CCN1C[C@@H]2OC(=O)N([C@@H]3CCN(C(=O)C(F)F)C3)[C@@H]2C1 1070898974 INROFYMHPLDUSW-MXWKQRLJSA-N 313.304 -0.009 30 20 DBED C#CCCCC(=O)N[C@@H]1CCCN(C(=O)c2nnn(C)n2)C1 1071107121 JWQHLIJYIBDSEM-LLVKDONJSA-N 304.354 -0.266 30 20 DBED C=CCCN1CC[C@]2(C1)CN(C(=O)Cn1cnnn1)C[C@@H](C)O2 1071134184 OACFRBNBADEQMM-HIFRSBDPSA-N 320.397 -0.059 30 20 DBED C[C@H]1CN(C(=O)c2nnn(C)n2)C[C@]2(CCN(CC#N)C2)O1 1071197139 NWSNHZDKZUIQQS-GXFFZTMASA-N 305.342 -0.961 30 20 DBED C=CCOCC(=O)N[C@H]1CN(C(=O)CNC(=O)C2CC2)C[C@@H]1C 1071687963 OSOVAXCQPLNCGX-AAEUAGOBSA-N 323.393 -0.322 30 20 DBED C#CCN1CCC2(C1)CN(C(=O)[C@H]1COCCN1C(C)=O)C2 1073443468 PWGBOSGRMQGBOJ-CQSZACIVSA-N 305.378 -0.599 30 20 DBED CO[C@@H](C)CC(=O)N1CC(N2CCN(C(=O)[C@H](C)C#N)CC2)C1 1073597168 RQXKGTPVBBSELY-OLZOCXBDSA-N 322.409 -0.074 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)c3cccc(=O)n3C)C[C@H]21 1074335749 DILPJPXFYXJETI-CABCVRRESA-N 315.373 -0.066 30 20 DBED C[C@H]1[C@@H](N[C@@H]2CCNC2=O)CCN1C(=O)c1c[nH]c(C#N)c1 1074613633 AWHQCUFQEQJRPG-TVYUQYBPSA-N 301.350 -0.033 30 20 DBED COC[C@H](OC)C(=O)N[C@@H](C)CCNC(=O)CSCC#N 1075678248 SCZUKTWVYRDMJX-QWRGUYRKSA-N 317.411 -0.084 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)C(=O)C(C)(C)C 1076218876 JXILKXQMCSVTPC-NSHDSACASA-N 323.393 -0.248 30 20 DBED C=C(C)CN1C[C@@H]2CCN(C(=O)Cn3nc(C)n(C)c3=O)[C@@H]2C1 1076517692 RVFRKVRDZGUSKP-UONOGXRCSA-N 319.409 -0.001 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)c2cn3c(n2)C[C@H](OC)CC3)C1 1077217720 CNQNXGYDCMILGV-YRGRVCCFSA-N 320.393 -0.195 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)[C@@]2(C)CCCS2(=O)=O)C1 1077824147 OLCIGXBUSBXDFP-YRGRVCCFSA-N 316.423 -0.309 30 20 DBED C=CCN[C@@H]1C[C@@H](NC(=O)Cn2ncn(C)c2=O)C12CCC2 1078663515 ODQYGRWRTGSPGI-VXGBXAGGSA-N 305.382 -0.215 30 20 DBED C#CCNC(=O)CC(=O)N(CC)C1CN(C(=O)c2cc[nH]c2)C1 1079646428 CHOLUUDCMZBJTP-UHFFFAOYSA-N 316.361 -0.173 30 20 DBED C=C[C@@](C)(O)CC(=O)N(CC)C1CN(C(=O)C2(C(N)=O)CC2)C1 1079687046 OUWFWWUNFPTIRD-OAHLLOKOSA-N 323.393 -0.362 30 20 DBED C[C@H](C#N)C(=O)NC1(CO)CCN(C(=O)[C@@H]2CCN(C)C2)CC1 1080981913 OTUMIFZHXBCDMP-CHWSQXEVSA-N 322.409 -0.433 30 20 DBED CCCOCC(=O)NC[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1081328286 VWDKOUSPQKLYBQ-UONOGXRCSA-N 308.378 -0.238 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2nnn(C)c2C)C1 1081362204 GGOVDGIGNBCPNZ-NWDGAFQWSA-N 321.381 -0.361 30 20 DBED C#CCCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)Cc2ccon2)C1 1081366088 UXURQDFLGVVQMV-GXTWGEPZSA-N 319.361 -0.044 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)c2cn(C)cn2)C[C@H]1O 1081442498 VSLLACJLHHQKKM-GXTWGEPZSA-N 318.377 -0.227 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@@H]1CCCCN1C(N)=O 1082319997 SEIHREPWRAWFDN-GRYCIOLGSA-N 309.370 -0.741 30 20 DBED C=C(C)CN1C[C@@H](NC(=O)CN2C(=O)CCC2=O)[C@H](OC)C1 1082362651 QTHZXZJZEWSLGB-VXGBXAGGSA-N 309.366 -0.473 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cccn2nnnc12 1083093491 LVMRETBWTLHRLC-NWDGAFQWSA-N 313.321 -0.827 30 20 DBED C=CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CCCN(C(N)=O)C1 1083136314 QJIMKGBMVWKSAP-HZSPNIEDSA-N 322.409 -0.125 30 20 DBED C[C@@H](C(=O)N1CCO[C@@H]2CN(CC#N)C[C@@H]21)c1cnn(C)c1 1083298979 BXUURFPUQFFJBE-KWCYVHTRSA-N 303.366 -0.041 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2cnc3c(c2)c(C)nn3C)C1 1083685628 DBLXGUSZYFVEFT-KGLIPLIRSA-N 313.361 -0.315 30 20 DBED CC(=O)Nc1ccc(C(=O)N[C@@H]2CN(CC#N)C[C@@H]2O)cc1 1083986350 FWOWEMUULCNZAU-KGLIPLIRSA-N 302.334 -0.057 30 20 DBED Cc1nn(C)c2nc(C(=O)N[C@@H]3CN(CC#N)C[C@@H]3O)ccc12 1084092570 IDKITOPONYJYOR-OLZOCXBDSA-N 314.349 -0.425 30 20 DBED CN(C[C@H]1CCN1CC#N)C(=O)c1coc(S(N)(=O)=O)c1 1085678934 VSVCSMLERFXSFA-SNVBAGLBSA-N 312.351 -0.403 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(c2nccc(OC)n2)C[C@H]1O 1090445338 INCIQMLXTMCWIE-VXGBXAGGSA-N 322.365 -0.256 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@H]1O 1090494828 KZMPAXPTTHTNEO-UKRRQHHQSA-N 314.345 -0.341 30 20 DBED C#CCN1CC[C@H](NC(=O)Cc2ccnc(OC)c2)[C@H](O)C1 1090573472 MVJKJZBLRYZGJT-UONOGXRCSA-N 303.362 -0.183 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2cn(CC3CC3)nn2)[C@H](O)C1 1090682055 IGUNZOBNDAANND-DZGCQCFKSA-N 317.393 -0.124 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)CN2C(=O)CN(C)C2=O)[C@H](O)C1 1090794350 OZXTXLXGCWJUJQ-NWDGAFQWSA-N 324.381 -0.992 30 20 DBED C=CCN1CC[C@@H](NC2CC(CNC(=O)c3nc[nH]n3)C2)C1=O 1091289328 MXPQDPZLMRWDIZ-HTAVTVPLSA-N 318.381 -0.310 30 20 DBED CC(=O)NCC[C@@H]1CN(c2nccnc2C#N)CCS1(=O)=O 1091303670 SGPRRHYCNFPRKR-LLVKDONJSA-N 323.378 -0.522 30 20 DBED N#Cc1cnc(N2CC[C@H](NC(=O)CC(N)=O)[C@H](O)C2)c(F)c1 1092132993 AESDWZKURNJUOQ-WDEREUQCSA-N 321.312 -0.976 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)c3cnnc(O)c3)c3nccn32)C1 1092375422 LNQRUZFYSFTRLA-LBPRGKRZSA-N 324.344 -0.102 30 20 DBED COC(=O)NCC(=O)NC1[C@H]2CN(c3ncccc3C#N)C[C@H]12 1093240261 SYXFCKGWWKQUTL-QWRGUYRKSA-N 315.333 -0.140 30 20 DBED CNC(=O)CC(=O)NC1[C@@H]2CN(c3nc(C)cc(C#N)n3)C[C@@H]12 1093241498 GJSFLIRRBKDIPQ-GHMZBOCLSA-N 314.349 -0.656 30 20 DBED Cc1nsc(NCCNC(=O)CS(C)(=O)=O)c1C#N 1093502407 WICTZKHBXOUOOQ-UHFFFAOYSA-N 302.381 -0.104 30 20 DBED CCc1nc(C#N)cc(NCCNC(=O)[C@H]2CC[C@@H]2C(N)=O)n1 1094034398 KKLSWCPHVMQNOV-QWRGUYRKSA-N 316.365 -0.050 30 20 DBED N#Cc1c(F)cccc1NCCNC(=O)[C@@H]1CC(=O)NC(=O)N1 1094168003 GUNMEOXVXRLWKJ-NSHDSACASA-N 319.296 -0.176 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)c3cc(C#N)c[nH]3)CC2=O)C1 1094720801 QOXGDMVAALKZGT-GFCCVEGCSA-N 311.345 -0.466 30 20 DBED C#CCCN1CC(N2C[C@@H](NC(=O)[C@@H]3[C@H]4COC[C@H]43)CC2=O)C1 1094772182 PWTOOXSQRLOJPQ-YYWXWVFPSA-N 317.389 -0.697 30 20 DBED Cn1c(O)ncc(C(=O)N2C[C@H]3C[C@H](NCC#N)C[C@H]2C3)c1=O 1094975968 HIKLQESQQAXGTH-GARJFASQSA-N 317.349 -0.408 30 20 DBED C#CCN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN1CCNC(=O)C1)C2 1094978190 LIIZMLXNLVMGKW-MJBXVCDLSA-N 304.394 -0.980 30 20 DBED COCCOCC(=O)NCCCN(C)c1ccc(C#N)nn1 1095506958 BGHHIVHBQQPFOD-UHFFFAOYSA-N 307.354 -0.046 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CCCN(c2cncc(C#N)n2)C1 1096133131 PTTUTUPJXVOTGD-LLVKDONJSA-N 302.338 -0.431 30 20 DBED Cc1nc(CC(=O)NC[C@H](C)Nc2nccnc2C#N)n[nH]1 1097806379 KZJVVUVONJYTRP-QMMMGPOBSA-N 300.326 -0.066 30 20 DBED N#CCN(CCO)C1CCN(C(=O)CCCn2ccnn2)CC1 1098389427 IYRRVBUPNDEMLC-UHFFFAOYSA-N 320.397 -0.133 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)c2cc[nH]c2C)[C@@H](O)C1 1099761010 QBESDZUATUNNAB-KGLIPLIRSA-N 320.393 -0.210 30 20 DBED C#CCOCCC(=O)N[C@H]1CCN(Cc2ncccn2)C[C@@H]1O 1099832408 HAGBNVQMGCGHET-KBPBESRZSA-N 318.377 -0.432 30 20 DBED N#CCN1CC[C@@H](NC(=O)CCCNC(=O)C2CC2)[C@@H](O)C1 1099863013 HDKBXIKIGPNCBC-OLZOCXBDSA-N 308.382 -0.632 30 20 DBED C#CCN1CC[C@@H](NC(=O)C2(CC#C)CCOCC2)[C@H](O)C1 1099869272 MOCLEPQQBSBQDF-HUUCEWRRSA-N 304.390 -0.009 30 20 DBED COCC#CCN1CC[C@H](NC(=O)CCc2ccon2)[C@@H](O)C1 1099923208 BJRORBCVTQQKJA-GJZGRUSLSA-N 321.377 -0.192 30 20 DBED C#CCCNC1CC(CNC(=O)C(C)(C)NS(C)(=O)=O)C1 1100739142 JFOZWMXOJCLYSS-UHFFFAOYSA-N 315.439 -0.178 30 20 DBED C=CCNC(=O)CNC1CC(CNC(=O)C[C@H]2CCC(=O)N2)C1 1100753627 JMHJRAQCGWASEI-OTTFEQOBSA-N 322.409 -0.558 30 20 DBED CC(=O)NCC(=O)NC[C@H]1CCN(c2cncc(C#N)n2)C1 1100926194 QUZHYHNDMDFYGY-LLVKDONJSA-N 302.338 -0.573 30 20 DBED CC(C)(C(N)=O)C(=O)NCCN(c1ccc(C#N)nn1)C1CC1 1101400652 HQJNBSUERGFUKL-UHFFFAOYSA-N 316.365 -0.055 30 20 DBED CN(CCN=c1cc[nH]cc1C#N)C(=O)c1cn(C)c(=O)n1C 1101654231 AJOOPEWKASHYTD-UHFFFAOYSA-N 314.349 -0.404 30 20 DBED CC[C@H](CNC(=O)[C@H](C)CC(N)=O)N=c1cc[nH]c(C#N)n1 1103279807 WDMPLTLBUXBTSP-NXEZZACHSA-N 304.354 -0.412 30 20 DBED C=CCNCc1cn(C2CN(C(=O)[C@]3(C)CNC(=O)C3)C2)nn1 1105289971 NBOOJJVZWVTSLL-HNNXBMFYSA-N 318.381 -0.537 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)C2=COCCO2)nc1 1105715207 OHEBDMNYHJEBCH-NSHDSACASA-N 304.306 -0.270 30 20 DBED Cc1ccc(C(=O)NC[C@@H](O)CN=c2cc[nH]c(C#N)n2)o1 1105735744 YPAQRYUTORHWJK-JTQLQIEISA-N 301.306 -0.126 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)[C@H]2COCCO2)nc1 1105779529 DFJPYVJZZAGVSP-VXGBXAGGSA-N 306.322 -0.742 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)COCCC)C[C@H]1C 1105904042 AQECVPVREPUVMP-ZIAGYGMSSA-N 309.410 -0.154 30 20 DBED CCOCC1(C(=O)NC[C@H](O)CN=c2cc[nH]c(C#N)n2)CC1 1106010803 FYZQXODFQGJFEH-LLVKDONJSA-N 319.365 -0.524 30 20 DBED CN1CC[C@@H](C(=O)NC[C@H](O)CNc2ccc(C#N)nc2)C1=O 1106064404 TVXCDIMXNKNKSA-OLZOCXBDSA-N 317.349 -0.679 30 20 DBED C[C@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)CCc1nc[nH]n1 1106260177 LAGXLVFMZZUANK-SNVBAGLBSA-N 314.353 -0.172 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)C[C@H](NC(C)=O)C(N)=O)C[C@H]1C 1106735910 GOUYXOZCGZURBI-BNOWGMLFSA-N 322.409 -0.926 30 20 DBED C#CCNC[C@@H]1CN(C(=O)CCNC(=O)[C@@H]2CCCO2)C[C@H]1C 1107086569 ZGQSOWMHPDNKOM-KFWWJZLASA-N 321.421 -0.011 30 20 DBED Cn1cncc1CC(=O)NC/C=C/CN=c1cc[nH]c(C#N)n1 1107263268 WAXGZEMAWOYHPV-NSCUHMNNSA-N 311.349 -0.169 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@H](C)CN=c1cc[nH]c(C(=O)OC)n1 1107731125 KVXVLSCCVBIUBH-BMIGLBTASA-N 322.365 -0.071 30 20 DBED COCCOCCC(=O)N[C@H](C)CN=c1cc[nH]c(C#N)n1 1107805944 OYEVPNJCPPEILQ-LLVKDONJSA-N 307.354 -0.260 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)[C@H]1C[C@H]1C(=O)N(C)C 1108111776 QWNDYPBZBMKEII-OUAUKWLOSA-N 316.365 -0.589 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)c1ccc(C(N)=O)o1 1108210192 LKEPPKHBNBYKSZ-MRVPVSSYSA-N 314.305 -0.308 30 20 DBED C=CCCOCC(=O)NC[C@@]1(C)CN([C@H](C)C(N)=O)CCO1 1108429399 HFAOCHORTLLCNS-DOMZBBRYSA-N 313.398 -0.340 30 20 DBED C=CCCCN1CC(N2C[C@H](NC(=O)CC(=O)NC)CC2=O)C1 1108535902 BFBHANKWCHHLLU-GFCCVEGCSA-N 322.409 -0.510 30 20 DBED CC#CCCCC(=O)N[C@@H]1CC(=O)N(C2CN(CC(N)=O)C2)C1 1108564152 CETCIPYRERPSQA-GFCCVEGCSA-N 320.393 -0.933 30 20 DBED Cc1cc(=NCCCN(C)C(=O)CS(C)(=O)=O)c(C#N)c[nH]1 1109381117 HAIBGWKKFNGALS-UHFFFAOYSA-N 324.406 -0.011 30 20 DBED C#CCNC(=O)CC(=O)N(C)CCCNc1ccc(C#N)nn1 1109409352 YILYFTFEDBYQHK-UHFFFAOYSA-N 314.349 -0.252 30 20 DBED CNC(=O)NCC(=O)NCC1(N=c2cc(C)[nH]cc2C#N)CC1 1110381060 SJVCXDHOBBXFEX-UHFFFAOYSA-N 316.365 -0.327 30 20 DBED N#Cc1cnc(N2CC[C@](O)(CNC(=O)c3cn[nH]c3)C2)cn1 1111051183 XUOQGQAINQOIMR-AWEZNQCLSA-N 313.321 -0.557 30 20 DBED N#Cc1cccnc1NCCN(CCO)C(=O)Cn1cncn1 1111473395 OTAAQGPTTQTYIK-UHFFFAOYSA-N 315.337 -0.522 30 20 DBED CC(=O)NCC(=O)N1CC[C@@H](CCN=c2cc[nH]c(C#N)n2)C1 1111590154 WJRVZEFLLUNJCP-GFCCVEGCSA-N 316.365 -0.443 30 20 DBED COc1ccnc(N2CCOC[C@@H]2CNC(=O)[C@@H](C)C#N)n1 1111661892 YIFAKCNJVIINAZ-QWRGUYRKSA-N 305.338 -0.034 30 20 DBED CC#CCN[C@@H]1CN(C(=O)CNC(=O)NC)C[C@H]1C(F)(F)F 1112111078 COZVQIHWBLURIO-NXEZZACHSA-N 320.315 -0.082 30 20 DBED C[C@H]1C[C@@H](NC(=O)CNC(N)=O)CCN1c1cncc(C#N)n1 1112457010 GRWSYGGACAQFCZ-UWVGGRQHSA-N 317.353 -0.510 30 20 DBED NC(=O)NCC(=O)N1CCN(CC#Cc2ccc(F)cc2)CC1 1112608826 JSMPGTMLXNSBQD-UHFFFAOYSA-N 318.352 -0.010 30 20 DBED CCCn1nnnc1CN1CCN(C(=O)CSCC#N)CC1 1112630186 PDXDDKFVXADYDJ-UHFFFAOYSA-N 323.426 -0.016 30 20 DBED N#Cc1ccc(N2C[C@H](CNC(=O)C#CC3CC3)[C@@H](O)C2)nn1 1112719366 AEUXFMQKSJYCHJ-JSGCOSHPSA-N 311.345 -0.325 30 20 DBED C#CCNC(=O)CC(=O)N1CCN([C@H](C)c2n[nH]c(C)n2)CC1 1112777885 QWAXHFYPIUVMNL-LLVKDONJSA-N 318.381 -0.542 30 20 DBED C[C@@H](NC(=O)C1CS(=O)(=O)C1)[C@@H](C)Nc1cncc(C#N)n1 1113182441 FUXRPPWTSAPIQF-RKDXNWHRSA-N 323.378 -0.302 30 20 DBED C=CCNC(=O)NC(=O)CN1CCN(C(=O)[C@@H](F)CC)CC1 1113202251 QPOTUHOLXJJRCI-NSHDSACASA-N 314.361 -0.110 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)[C@H]2CC[C@@H](C)O2)CC1 1113363254 QKCHPPUVIUGXLS-HZSPNIEDSA-N 307.394 -0.164 30 20 DBED C[C@@](O)(CC(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21)C1CC1 1114149225 RGDZPBRSYOYDAK-GUYJKWIASA-N 320.393 -0.776 30 20 DBED CC1(C)CN(c2ccncc2C#N)C[C@H]1NC(=O)CNC(N)=O 1114424368 WHXDBUIBSWFJGN-GFCCVEGCSA-N 316.365 -0.047 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)c3cnnc(O)c3)[C@@H]2C1 1114436376 GJCRMGQFIJHQHH-GHMZBOCLSA-N 317.349 -0.856 30 20 DBED C=C(C)CN1C[C@H]2[C@H](NC(=O)CS(=O)(=O)CCOC)[C@H]2C1 1114480484 OZPQIXXCGOZSQY-IMRBUKKESA-N 316.423 -0.330 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)NC1[C@H]2CN(CC#N)C[C@H]12 1115296031 JZXLZMOBMMNGHA-QWRGUYRKSA-N 305.382 -0.180 30 20 DBED CO[C@@H](CNC(=O)C(=O)N1CC[C@](O)(CC#N)C1)C(F)(F)F 1118218517 IDGYSZDYINUZRT-GZMMTYOYSA-N 323.271 -0.443 30 20 DBED C[C@H](CN(C)C(=O)[C@H]1C[C@H]1C(N)=O)Nc1ccc(C#N)nn1 1120705925 JGTFMBAMZVZYKS-IEBDPFPHSA-N 302.338 -0.272 30 20 DBED Cn1nccc1C(=O)NC[C@H](CO)Nc1cnc(C#N)cn1 1121178693 WKEVNHYXTNYTON-SNVBAGLBSA-N 301.310 -0.715 30 20 DBED CCc1nc(C#N)cc(N[C@H](CO)CNC(=O)[C@H](C)C#N)n1 1121213111 MIBFLDFLAUSGOU-KOLCDFICSA-N 302.338 -0.041 30 20 DBED C[C@@H](OCC1CC1)C(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1 1121278459 KHABRPSMRUYRNK-PWSUYJOCSA-N 319.365 -0.526 30 20 DBED C=CCn1c([C@H]2CNC(=O)C2)nnc1N1CCN(C)C(=O)[C@@H]1C 1121283436 QCUWVGHMMKDEKL-WDEREUQCSA-N 318.381 -0.266 30 20 DBED Cc1nccc(C(=O)NC[C@@H](CO)Nc2cnc(C#N)cn2)n1 1121659011 NUTSWZKVPYOAPW-NSHDSACASA-N 313.321 -0.351 30 20 DBED C#CCOCCC(=O)NC[C@H](CO)Nc1nc(C)cc(OC)n1 1122029683 WQGNVOJFCJWULN-GFCCVEGCSA-N 322.365 -0.277 30 20 DBED CC(C)NC(=O)[C@H](C#N)C(=O)C1CCC2(CC1)NC(=O)NC2=O 1122407486 YNMZWYFNXSTLOO-KGXJWFGYSA-N 320.349 -0.012 30 20 DBED CCC(=O)N[C@@H](C)C(=O)NC[C@@H](CO)Nc1nccnc1C#N 1122752260 KSTWBZNKOOGRDO-UWVGGRQHSA-N 320.353 -0.848 30 20 DBED Cc1nnccc1C(=O)NC[C@H](CO)Nc1nccnc1C#N 1122850461 NFAUXRHRJQBVMI-SNVBAGLBSA-N 313.321 -0.351 30 20 DBED CNC(=O)NCC(=O)N1CC[C@H](N=c2cc[nH]c(C#N)n2)[C@H]1C 1123110069 NAQPXOPYAJCJSL-ZJUUUORDSA-N 317.353 -0.900 30 20 DBED C#CCN1CCC(OC(=O)[C@]2(OC)CCS(=O)(=O)C2)CC1 1123247616 MILYBVTWIVMBFN-AWEZNQCLSA-N 315.391 -0.169 30 20 DBED Cc1nc[nH]c1C(=O)N(C)C[C@@H](O)CNc1nccnc1C#N 1124399181 KYQNHPSNTIZZOU-JTQLQIEISA-N 315.337 -0.075 30 20 DBED CN(C[C@H](O)CNc1nccnc1C#N)C(=O)c1cnon1 1124466188 JWBLPDXMNNFILJ-MRVPVSSYSA-N 303.282 -0.724 30 20 DBED C=CCCC(=O)NCCNCC(=O)N(C)CC(=O)NCCC 1124646435 RZQFHFTYKHRXFY-UHFFFAOYSA-N 312.414 -0.357 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)[C@@H]1COCCN1C 1125944381 AXQQQGFEMFRYMF-AWEZNQCLSA-N 324.425 -0.777 30 20 DBED C=C[C@](C)(O)CC(=O)NCCNCC(=O)NCc1ccco1 1126364899 CPUQOQDCNFWJHV-HNNXBMFYSA-N 309.366 -0.071 30 20 DBED C#CCN[C@@H]1CN(C(=O)C[C@@H](C)COC)C[C@@H]1n1ccnn1 1130066751 IZKWEDDEHDZKKQ-MCIONIFRSA-N 305.382 -0.075 30 20 DBED COc1ccnc(OC)c1C(=O)NCCNCC(=O)NCC#N 1131226420 LBUDQJUQMDIAKY-UHFFFAOYSA-N 321.337 -0.942 30 20 DBED C=C(C)C(C)(C)C(=O)NCCNCc1cc(=O)n(C)c(=O)n1C 1132308437 HDMVZXOKQPODAT-UHFFFAOYSA-N 322.409 -0.108 30 20 DBED CCS(=O)(=O)N(C)CC(=O)N[C@H]1CC[C@H](C)N(CC#N)C1 1132393202 XPMYBSNCJBMQTF-RYUDHWBXSA-N 316.427 -0.239 30 20 DBED C=CCNC[C@@H]1CN(C(=O)CNS(=O)(=O)NC)CC[C@H]1C 1133010742 AHOJJXLSZSSORY-VXGBXAGGSA-N 318.443 -0.700 30 20 DBED N#Cc1ccc(F)cc1CNCCNC(=O)[C@H]1CNC(=O)N1 1133129421 YIBAIHOMFVJILK-GFCCVEGCSA-N 305.313 -0.415 30 20 DBED C#CCOCCC(=O)N[C@@H](C)C[C@H](C)NCC(=O)NCC#N 1134372226 GPYINWNOZVBKIS-STQMWFEESA-N 308.382 -0.461 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)c1nc(C)c[nH]1 1135655608 OWPBBJCFWGXXSF-GHMZBOCLSA-N 305.382 -0.046 30 20 DBED CCN(C)CCC(=O)N[C@H](C)C[C@H](C)NCC(=O)NCC#N 1135882278 JTGSZPFOQXTXOW-QWHCGFSZSA-N 311.430 -0.159 30 20 DBED C#CCN[C@@H](C)C[C@@H](C)NC(=O)CN1C(=O)NC(C)(C)C1=O 1136112431 SPVZYMMCBAZFKI-WDEREUQCSA-N 308.382 -0.177 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@H]1CCc2nc[nH]c2C1 1146993994 HSUALEITRDMJPD-RYUDHWBXSA-N 317.393 -0.642 30 20 DBED C=CCN1CCC2(C1)CN(C(=O)CN(C)S(C)(=O)=O)C2 1147665909 WQPBYQVDGOYIKP-UHFFFAOYSA-N 301.412 -0.402 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)[C@H]1CCN(C)C1)C2 1148747943 FIYIUENEWOALSF-AWEZNQCLSA-N 318.421 -0.778 30 20 DBED C=CCNC(=O)CN1CCCO[C@@H](CNC(=O)c2ccon2)C1 1149273595 YSPZWYUKUBMAOQ-LBPRGKRZSA-N 322.365 -0.203 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@H](CC)N1CCCC1=O 1151535805 ZXHZARBNUSSDDF-OLZOCXBDSA-N 322.409 -0.769 30 20 DBED C#CCO[C@@H](C)C(=O)NCCCNCCCN1C(=O)CNC1=O 1157881053 VJFCGASLUKQFSM-LBPRGKRZSA-N 324.381 -0.938 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCCNCc1cn(CC)nn1 1160209235 FGJBTVFMQAWAIT-HNNXBMFYSA-N 318.425 -0.009 30 20 DBED C#CCNC(=O)CNCCCNC(=O)C12CCCN1CCC2 1161789684 UWMSXDICVZSYEK-UHFFFAOYSA-N 306.410 -0.540 30 20 DBED C#CCNC(=O)[C@H](C)NCCCC[C@H](C)NC(=O)c1cnn[nH]1 1171652403 UZDBIPYDAJORGO-RYUDHWBXSA-N 320.397 -0.179 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)[C@H]1CCCC(=O)N1C 1174942943 JDBCMVXIKVQCBY-QWHCGFSZSA-N 324.425 -0.216 30 20 DBED C[C@@H](CCCCNCC#N)NC(=O)CN1C(=O)CN(C)C1=O 1176485831 IOOPWDPXUXPNDO-NSHDSACASA-N 309.370 -0.331 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@@H](C)n1nc(C)cc1C 1177325696 SNRNZPWETLEOEK-CQSZACIVSA-N 319.409 -0.094 30 20 DBED C=CCNC(=O)CNCCCCCCNC(=O)c1ncn(C)n1 1178394948 AZSRUSYPOSEQBW-UHFFFAOYSA-N 322.413 -0.003 30 20 DBED C[C@H]1CN(C(=O)COCc2ncnn2C)CC[C@H]1CNCC#N 1185422342 DCAWDXUIYHRRAP-STQMWFEESA-N 320.397 -0.071 30 20 DBED CC#CCNC[C@H]1CN(C(=O)CC(N)=O)CC12CCOCC2 1186309848 ILFPNXVWWBTTJC-ZDUSSCGKSA-N 307.394 -0.270 30 20 DBED N#CCNC[C@@H]1CN(C(=O)C2(C(N)=O)CC2)CC12CCOCC2 1186505734 VXFPNAOHJOEYEC-GFCCVEGCSA-N 320.393 -0.380 30 20 DBED C=CCNC(=O)CN1C[C@@H]2CCN(C(=O)[C@@H](C)NC(C)=O)[C@@H]2C1 1186749683 KIRDOLKGYBRRPZ-KWCYVHTRSA-N 322.409 -0.654 30 20 DBED CN(CC(=O)NCC#N)[C@@H]1CCN(C(=O)c2cnns2)C1 1189059562 RGPBAKGTECVYNI-SECBINFHSA-N 308.367 -0.676 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H](N(C)C[C@H](O)COC)C2)nn1 1192724279 RMLVWLHFZALKKF-STQMWFEESA-N 323.397 -0.382 30 20 DBED CC(C)n1nnnc1CN1C[C@@H](O)[C@H](NC(=O)C#CC2CC2)C1 1192770963 WACUCBQPNXIDBN-CHWSQXEVSA-N 318.381 -0.671 30 20 DBED C=CCNC(=O)[C@H](C)N(C)[C@H]1CCN(C(=O)Cn2cncn2)C1 1193886389 BRPPORFXIVAZPS-STQMWFEESA-N 320.397 -0.499 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C[C@H]2C=CCCC2)C1 1194033068 WBIBNEIFWNXTQZ-RRFJBIMHSA-N 319.405 -0.357 30 20 DBED N#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CCCOCC2)CC1 1195640462 YPQZXOQRPCSTJX-CQSZACIVSA-N 322.409 -0.023 30 20 DBED COCC#CCN1CCCN(C(=O)[C@@H]2CCCN2C(N)=O)CC1 1198373182 NTKCAXOHHKCZSL-AWEZNQCLSA-N 322.409 -0.286 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)CCC2CCN(C(C)=O)CC2)C1 1198870996 TXHPXQSSQJWODF-HZPDHXFCSA-N 321.421 -0.180 30 20 DBED C#CCOCCC(=O)N1CCC(N[C@@H](C)C(=O)NC(N)=O)CC1 1200523154 JFJIDXIXGKFYMF-NSHDSACASA-N 324.381 -0.810 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)Cc2cnc(C)o2)CC1 1201028770 OMLHLJZLLFGDKZ-UHFFFAOYSA-N 318.377 -0.144 30 20 DBED C[C@@H]1CCN(CC(=O)N2CCC(NCC(=O)NCC#N)CC2)C1 1202495273 BXIASMLBIMBGIW-CYBMUJFWSA-N 321.425 -0.451 30 20 DBED CC#CCN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)Cn1cnnc1O)C2 1204212838 WKJWJRWGNUGHQH-JHJVBQTASA-N 303.366 -0.024 30 20 DBED C#CCNC(=O)CC(=O)N1CCC(CNC[C@@H]2CCOC2)CC1 1205050252 OQSCGIMUSRLWBE-HNNXBMFYSA-N 321.421 -0.009 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)c2n[nH]c(C)c2O)C1 1207806364 CKHNCMCLBIXIGU-NSHDSACASA-N 319.365 -0.633 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@@H](C)OCC#C)C1 1208018413 OPVGKIXMLLPHOM-ZIAGYGMSSA-N 305.378 -0.645 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@@H](C2CC2)N(C)C)C1 1208334136 FZWVMBGGXJLMMO-GDBMZVCRSA-N 320.437 -0.343 30 20 DBED C=CCOCC(=O)N[C@@H]1CN([C@H](C)c2nnnn2C)C[C@H]1OC 1212032020 GAULBPGVCCLZKA-IJLUTSLNSA-N 324.385 -0.711 30 20 DBED C[C@@]1(C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@@H]2O)CC=CCC1 1219686757 UVSBXMPFBFCOSB-DVOMOZLQSA-N 320.393 -0.466 30 20 DBED C=CC(C)(C)CC(=O)N[C@@H]1CN([C@H]2CCC(=O)NC2=O)C[C@@H]1O 1219706596 GIHWCEABUFXBTL-WOPDTQHZSA-N 323.393 -0.445 30 20 DBED CC(C)(CN1CCOCC1)C(=O)N[C@@H]1CN(CC#N)C[C@@H]1O 1219878120 ZWSZPAKYJSNXON-OLZOCXBDSA-N 310.398 -0.970 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)CNC(=O)Nc2ccccc2)C1 1220103676 BMFQJUFRQAIUDS-OLZOCXBDSA-N 317.349 -0.507 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1CN(CCCF)C[C@@H]1O 1220491026 YQQDCSPWVUPIDA-MCIONIFRSA-N 315.389 -0.022 30 20 DBED C[C@H](C(=O)NC1CCN(CC(=O)NCC#N)CC1)n1cncn1 1226906407 NZUOHMDVEAQHMZ-LLVKDONJSA-N 319.369 -0.941 30 20 DBED C#CCO[C@H](C)C(=O)NC1CCN(Cc2ncnn2C)CC1 1227342812 YUSGLJFRQDHVPF-GFCCVEGCSA-N 305.382 -0.066 30 20 DBED Cc1ccnn1CC(=O)NC1CCN(CC(=O)NCC#N)CC1 1229377433 SZSWKILRKDRTSC-UHFFFAOYSA-N 318.381 -0.588 30 20 DBED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1ccn([C@@H](C)COC)n1 1256560769 UGEDIYSMRNREOL-NWDGAFQWSA-N 322.365 -0.081 30 20 DBED N#CCNC(=O)CNC(=O)N[C@@H]1CCO[C@@]2(CCSC2)C1 1261100127 JHQAORQUGYHULL-MFKMUULPSA-N 312.395 -0.020 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1 1323307286 LYNDBQFBSZOSFU-NEPJUHHUSA-N 321.381 -0.568 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N[C@H]1CCOC[C@@H]1OCC 1323723732 KKCVLKWDNVPNBA-WOPDTQHZSA-N 300.355 -0.386 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)NC1CN(C(=O)OC)C1 1328438617 KIBYPUQDMTWVIJ-UHFFFAOYSA-N 311.338 -0.949 30 20 DBED C#CCNC(=O)C1CCN(C(=O)C(=O)N[C@@H]2C=CCC2)CC1 1328543329 QEONLKXIWLQNLG-CYBMUJFWSA-N 303.362 -0.191 30 20 DBED N#Cc1cccc(NC(=O)C(=O)N2CCN3C(=O)NC[C@@H]3C2)n1 1329297136 CIFUGOGNUSXBOO-SNVBAGLBSA-N 314.305 -0.872 30 20 DBED CCO[C@H]1CCCN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)C1 1329448306 NXPAFRWCPWWRJS-WFASDCNBSA-N 309.366 -0.109 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)NCC[C@@H]2CCNC2)CCN1C1CC1 1337470292 ACXDVKZGDPTBFE-JSGCOSHPSA-N 319.409 -0.699 30 20 DBED C=CCN(c1nnnn1CCOCC)[C@@H]1CCS(=O)(=O)C1 1340313944 LWWOGQUMRVWASN-LLVKDONJSA-N 315.399 -0.111 30 20 DBED CC#CCCNC(=O)C(=O)NC[C@H](C(C)C)N1CCN(C)CC1 1340340411 YHSWEYUSPYRXDR-OAHLLOKOSA-N 322.453 -0.096 30 20 DBED CC[C@@H]1OCC[C@H]1NC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1349091965 VJGUIMSQZFORGH-MJBXVCDLSA-N 320.393 -0.131 30 20 DBED COCC#CC(=O)NCCCN1CCN(c2ncccn2)CC1 1350543746 XFIBTAYHEIPMAN-UHFFFAOYSA-N 317.393 -0.245 30 20 DBED CS(=O)(=O)CCC(=O)NCc1ccc(C(=O)NO)cc1 1350717396 NJLNLKTZSOIGHN-UHFFFAOYSA-N 300.336 -0.144 30 20 DBED COC(=O)[C@H](C)CN(C)C(=O)Cn1cc(C#N)c(O)nc1=O 1362042274 SKQBUESWINBCSX-MRVPVSSYSA-N 308.294 -0.912 30 20 DBED N#Cc1cn(CCC(=O)N[C@H](CO)CC(F)F)c(=O)nc1O 1362329561 CAJDPXBRQKIGTI-QMMMGPOBSA-N 316.264 -0.657 30 20 DBED COC(=O)[C@@H](C)N(C)C(=O)CCn1cc(C#N)c(O)nc1=O 1363107321 RFRADMYWKVLJAR-MRVPVSSYSA-N 308.294 -0.769 30 20 DBED CCc1n[nH]cc1C(=O)NCCn1cc(C#N)c(O)nc1=O 1364109208 PWMDVMHOZHMXAS-UHFFFAOYSA-N 302.294 -0.464 30 20 DBED CC(C)CN1CCN(c2[nH]c(=O)n(C)c(=O)c2C#N)CC1=O 1365222928 MEZYKLJPCKSDIW-UHFFFAOYSA-N 305.338 -0.750 30 20 DBED C[C@H](C#N)C(=O)NCCN(C(=O)C[C@@H]1CCC(=O)N1)C1CC1 1387525035 AMPUXEARKJDGJN-MNOVXSKESA-N 306.366 -0.078 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C(=O)[C@@H]1CN(C)CCO1)C1CC1 1388677599 BBWZXIBCGYMKAN-AAEUAGOBSA-N 308.382 -0.416 30 20 DBED CCC(=O)NCC(=O)NC[C@@H]1CCN1C(=O)c1c[nH]c(C#N)c1 1393274385 ACYAEGVXZOUMSX-LBPRGKRZSA-N 317.349 -0.257 30 20 DBED C=C(Cl)CN1CC(O)(CNC(=O)CN2CCOCC2)C1 1393312660 UKDIMGUHAPMQOX-UHFFFAOYSA-N 303.790 -0.766 30 20 DBED CC(C)NC(=O)NC(=O)[C@@H](C)NCCN(C)C(=O)[C@H](C)C#N 1400069640 NDXLBCJTKAOKCJ-GHMZBOCLSA-N 311.386 -0.183 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](NC(=O)CN(C)C(=O)C2CC2)C1 1407492907 DHDIRXAEVKMGMS-ZYHUDNBSSA-N 306.366 -0.268 30 20 DBED C[C@@H](C#N)C(=O)NC1CCC(NC(=O)CCNC(N)=O)CC1 1408059349 YTEVPQDLAXWVPB-WHXUTIOJSA-N 309.370 -0.252 30 20 DBED Cc1noc([C@H](C)N(C)C(=O)Cn2cc(C#N)c(O)nc2=O)n1 1412296970 KQRHXKVJWQEXJZ-ZETCQYMHSA-N 318.293 -0.268 30 20 DBED CCn1ccc(C(=O)N(C)C[C@@H](O)CNC(=O)[C@@H](C)C#N)n1 1413261729 SEAMUZPKWHITFA-QWRGUYRKSA-N 307.354 -0.388 30 20 DBED N#CCc1ccnc(NC(=O)NC[C@@]2(O)CCS(=O)(=O)C2)c1 1413604421 HJFFRYQQYNASPJ-ZDUSSCGKSA-N 324.362 -0.181 30 20 DBED C[C@@H](C#N)C(=O)NCC1CN(C(=O)CN2CCCCC2=O)C1 1416123779 NROXBXKKFAMOQT-NSHDSACASA-N 306.366 -0.267 30 20 DBED COC[C@@H](CS(=O)(=O)NCC1(C#N)CCOCC1)OC 1434658161 NQUUMOWTMLBNPF-NSHDSACASA-N 306.384 -0.112 30 20 DBED C=C(Cl)CN1CC[C@@](C)(NC(=O)CS(=O)(=O)NC)C1 1439876578 ZAMABVRLJOJQMB-LLVKDONJSA-N 309.819 -0.131 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]1CN(C)C(=O)CCN1CCOCC1 1452856695 BCVMUFXIOVMIQB-KBPBESRZSA-N 322.409 -0.072 30 20 DBED CCN(CCNC(=O)[C@H]1CCc2nncn2C1)C(=O)[C@H](C)C#N 1455600016 YCEIBCYCIFHAII-NEPJUHHUSA-N 318.381 -0.035 30 20 DBED C=CCCCN[C@H]1CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)C1 1480621430 SJHYTSFVGDDMPC-STQMWFEESA-N 310.398 -0.477 30 20 DBED C#CCCCC(=O)N1CC[C@@H](NCCN(C)S(C)(=O)=O)C1 1489982963 NZNDQUXHFUALLB-CYBMUJFWSA-N 315.439 -0.128 30 20 DBED C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)NCC(=O)N1CCOCC1 1491424968 VMEYWOYLNBWYPW-NSHDSACASA-N 319.365 -0.547 30 20 DBED C#CCNC(=O)CNC[C@H]1CCCN1C(=O)CCCC(=O)NC 1499887687 BTUREBPPDJHVMS-CYBMUJFWSA-N 322.409 -0.767 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1C[C@@H](NC(=O)c2c[nH]c(=O)cn2)C1 1514928697 GUQUQWQYGYRKEX-BBBLOLIVSA-N 303.322 -0.446 30 20 DBED CCCS(=O)(=O)CC(=O)NCCN(CC)C(=O)[C@@H](C)C#N 1528866884 WVJJIDJYAPQCDP-NSHDSACASA-N 317.411 -0.064 30 20 DBED C=CCN1CC[C@H](N2CC[C@H](NC(=O)CNC(=O)O)[C@H]2C)C1=O 1573368078 HSTZUKFZTUSMEW-WOPDTQHZSA-N 324.381 -0.380 30 20 DBED CO[C@H]1CN[C@H](C(=O)N2CCN(c3ccc(C#N)nc3)CC2)C1 1574000159 FGXYUCFIQKMCOS-CABCVRRESA-N 315.377 -0.021 30 20 DBED N#Cc1cn(CCC(=O)N2CCC[C@@H](C(=O)O)C2)c(=O)nc1O 1574248387 ITBDXFFDAYBBQC-SECBINFHSA-N 320.305 -0.466 30 20 DBED C#CCN1C[C@H]2[C@H](NC(=O)[C@@H]3CCCN3Cc3cnn[nH]3)[C@H]2C1 1574985868 NMTNKGMKDXUMIW-LJISPDSOSA-N 314.393 -0.551 30 20 DBED Cc1cc(NC(=O)N[C@@H]2CC(=O)N(C3CNC3)C2)ncc1C#N 1579631224 JMJZOFXGIVFXHQ-LLVKDONJSA-N 314.349 -0.044 30 20 DBED C#CCN1CCC(C(=O)N2CC(=O)N(C)C[C@H]2C(=O)O)CC1 1588471461 PFLQCGMDWOTNEC-LBPRGKRZSA-N 307.350 -0.915 30 20 DBED C#CCSCCn1nnnc1N1C[C@@H](C(=O)O)O[C@H](C)C1 1588509924 UUPPKCPKEQJWJD-ZJUUUORDSA-N 311.367 -0.282 30 20 DBED C=C(CCC(=O)O)C(=O)N1CCC(n2cc(C(N)=O)nn2)CC1 1588613979 IIFFDHJQPFIFEP-UHFFFAOYSA-N 321.337 -0.039 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(N=c2cc[nH]c(C(=O)O)n2)CC1 1588683988 ILNDKQPRKOFSGP-AWEZNQCLSA-N 320.349 -0.016 30 20 DBED C=CCOC[C@H](NC(=O)C(C)(C)NS(C)(=O)=O)C(=O)O 1588850811 FYKVNYVTOFMYHB-QMMMGPOBSA-N 308.356 -0.914 30 20 DBED C#C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@](OC)(C(=O)O)C2)C1 1602677341 USVZUDULGMOBOV-ABAIWWIYSA-N 308.334 -0.440 30 20 DBED C#CCC1(NC(=O)CN2CCC[C@H](C(=O)O)C2=O)CCOCC1 1602698479 IIVZVTBNAOLKEY-LBPRGKRZSA-N 322.361 -0.002 30 20 DBED C=CCOC[C@H](NS(=O)(=O)CC1(N(C)C)CC1)C(=O)O 1602914855 ILSYFBLMWGFQAG-JTQLQIEISA-N 306.384 -0.344 30 20 DBED Cc1c(CC(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[nH]2)cnn1C 1605485616 BMKRTACOXSQNQW-UHFFFAOYSA-N 312.297 -0.315 30 20 DBED N#C[C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)c(O)c2)CCO1 1606345827 QGABXVQWGFPMRM-SECBINFHSA-N 300.278 -0.063 30 20 DBED N#CCN1CCC(NC(=O)NC[C@H]2CCO[C@H]2C(=O)O)CC1 1608187774 DVLQVGCFYYCBON-ZYHUDNBSSA-N 310.354 -0.237 30 20 DBED N#C[C@H]1CN(C(=O)c2cc(O)cc(-c3nn[nH]n3)c2)CCO1 1609494354 AWPWGNAHRDRWNQ-NSHDSACASA-N 300.278 -0.063 30 20 DBED N#Cc1ncn(CC(=O)N2CCC[C@H](N3CCNC3=O)C2)n1 1647109867 CLIIILMNDFJSBI-JTQLQIEISA-N 303.326 -0.834 30 20 DBED N#Cc1ccc(NCC(=O)NC2(C(N)=O)CCOCC2)nc1 1647300300 RCXCWRKLWOEAFY-UHFFFAOYSA-N 303.322 -0.484 30 20 DBED C[C@@H](NCC#N)[C@@H]1CCCCN1C(=O)Cn1ncn(C)c1=O 1752141014 BTPNILYMGZCGDA-NEPJUHHUSA-N 306.370 -0.535 30 20 DBED N#CCN(CCCNC(=O)[C@H]1CCS(=O)(=O)N1)C1CC1 1752294453 XLHVIBGFMLUGFE-LLVKDONJSA-N 300.384 -0.828 30 20 DBED C#CCNC(=O)[C@H](C)N(CCNC(=O)c1ccnn1C)C1CC1 1753151314 VPWHEJSZTYGUJA-LBPRGKRZSA-N 317.393 -0.248 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@@H](N(CCC)C(=O)CC(N)=O)C1 1753315308 XGGOCVNHDMWTJR-QWHCGFSZSA-N 322.409 -0.687 30 20 DBED C=CCNC(=O)CN1CC(NC(=O)C(=O)Nc2cc(C)on2)C1 1753399477 LGNSMFVOQCEXPG-UHFFFAOYSA-N 321.337 -0.976 30 20 DBED COCC#CCN1CC(CNC(=O)CCCC(=O)N(C)C)C1 1753413995 WJEUXWFBCHPDNG-UHFFFAOYSA-N 309.410 -0.057 30 20 DBED N#CCNC(=O)CN1CC2(CCN(C(=O)c3cn[nH]c3)CC2)C1 1753672088 NBVBCZBWIDJQTD-UHFFFAOYSA-N 316.365 -0.413 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@@H](C)NC(=O)C(C)(C)c1cnc[nH]1 1754249347 NEZGVILRPARHDQ-NEPJUHHUSA-N 319.409 -0.081 30 20 DBED C#CCNC(=O)CNC[C@H](C)NC(=O)Cc1cncc(C)c1 1754277223 YDOLEAUPNOOOJM-ZDUSSCGKSA-N 302.378 -0.224 30 20 DBED C#CCNC[C@H]1CN(C(=O)[C@@H]2CCc3cncn3C2)CCO1 1755006051 WWYOMWMYAXRJLP-HIFRSBDPSA-N 302.378 -0.104 30 20 DBED CC#CCN[C@]1(CO)CCCN(C(=O)[C@@H](C)n2cncn2)C1 1755084717 RCMGCCOPLOBXPW-UKRRQHHQSA-N 305.382 -0.195 30 20 DBED CNC(=O)[C@@H](C)N1CC(N2CCN(C(=O)C#CC(C)C)CC2)C1 1755145401 MJOCZSNGQBBJMQ-CQSZACIVSA-N 320.437 -0.391 30 20 DBED CC#CCNCC(C)(C)CN(C)C(=O)C[C@@H]1NC(=O)NC1=O 1755282322 NKNXIHQZNOTUER-NSHDSACASA-N 308.382 -0.318 30 20 DBED C#CCNC(=O)CN(C)[C@@H](C)CNC(=O)c1[nH]c(O)nc1C 1755303760 PNEBFHIUFXMSTC-VIFPVBQESA-N 307.354 -0.777 30 20 DBED CCCC[C@H](CNCC#CCOC)NC(=O)[C@@H]1CNC(=O)N1 1755359625 GXISVZRSDBPGHJ-OLZOCXBDSA-N 310.398 -0.418 30 20 DBED CSC[C@@H](C)C(=O)NC[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@H]12 1755421304 SGIGAGIXZJLVDG-LPWJVIDDSA-N 324.450 -0.081 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](CNC(=O)c3nc[nH]n3)[C@H]2C1 1755429591 IRWKTAUZEDOKFM-RTCCRHLQSA-N 304.354 -0.986 30 20 DBED CC#CCNC[C@@H](O)CN(C)C(=O)[C@@H](CC)N1CCCC1=O 1755797290 YNWVZDCXXBCMCA-ZIAGYGMSSA-N 309.410 -0.180 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@H](CO)NC(=O)c1ccncc1C 1756515845 QLMGOULGWQPARC-LRDDRELGSA-N 321.377 -0.076 30 20 DBED CC(C)C#CC(=O)N1CC[C@@H](NC(=O)CCNC(N)=O)[C@@H]1C 1756561412 GKMKZVFLYXXDIB-NWDGAFQWSA-N 308.382 -0.190 30 20 DBED C#CCOCCC(=O)N1C[C@@H](O)[C@H](NC(=O)C#CC(C)C)C1 1756993749 MWNSOVJJTDKKHF-ZIAGYGMSSA-N 306.362 -0.626 30 20 DBED C=CCOCCCC(=O)N1CC[C@H](NC(=O)C(N)=O)[C@H]1CC 1757457907 VUACUADDLLPUEP-NWDGAFQWSA-N 311.382 -0.050 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)CN(C)C(C)C)CCO2 1783053390 AQJYEUIHKHJZEV-INIZCTEOSA-N 307.394 -0.210 30 20 DBED N#CC1(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C(O)O)CCC1 1792902181 GOVQSYDVEKLLQO-JGPRNRPPSA-N 307.350 -0.371 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)c1ccco1)C2 1800452025 CTINNJBQKFTFGT-BAESOJJISA-N 318.329 -0.464 30 20 DBED C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](O)NC(=O)OCC)C2 1801599722 LOXGOJZZLYERTL-FBKDDSFISA-N 323.349 -0.678 30 20 DBED C[C@H](NC=O)C(=O)N1CC2(CCCN2C(=O)C#CC2CC2)C1 1841542274 BBLKACOHUSITKN-LBPRGKRZSA-N 303.362 -0.262 30 20 DBED CNC(=O)CC(=O)N1CCCC12CN(C(=O)C1(C#N)CC1)C2 1841560828 KSWGECXGITXDJB-UHFFFAOYSA-N 304.350 -0.370 30 20 DBED C#CCN1CCC(C(=O)N2CCN(C(=O)[C@@H](C)O)CC2)CC1 124100240 VPJUJKQMDYHRGA-CYBMUJFWSA-N 307.394 -0.617 30 20 DBED CC#CCNC(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 190028993 LEAORICLPWVNKQ-UHFFFAOYSA-N 305.338 -0.113 30 20 DBED C=CCS(=O)(=O)CCNC(=O)CS(=O)(=O)CC(C)C 272905096 VTKPJLPHFFUEEC-UHFFFAOYSA-N 311.425 -0.226 30 20 DBED CC1=C(C(=O)NC2(C#N)CCOCC2)Cn2nnnc2N1C 280861632 DKPCMURRRYABBJ-UHFFFAOYSA-N 303.326 -0.414 30 20 DBED C[C@@H]1CN/C(=N\C[C@@H](O)CS(=O)(=O)c2cccs2)N1 285041324 KKVBAOUNJPLTBY-RKDXNWHRSA-N 303.409 -0.180 30 20 DBED CNS(=O)(=O)c1ccc(C(=O)N2CCN(CC#N)CC2)cc1 299575363 BUKCZFBVVOAYQC-UHFFFAOYSA-N 322.390 -0.124 30 20 DBED N#C[C@@H]1COCCN1C(=O)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1 329262027 DETQBGUSZBXSNF-UPJWGTAASA-N 323.349 -0.856 30 20 DBED CC(C)N1CC[C@@H](N/C(O)=N/CC2(O)CCN(C)CC2)C1=O 329605743 ZLAUBMXFBAXSIV-GFCCVEGCSA-N 312.414 -0.044 30 20 DBED CC[C@H]1CN(C(=O)Cn2cnc(C#N)n2)C[C@]2(CCOC2)O1 330061488 OJHYHXDIEWVDSQ-FZMZJTMJSA-N 305.338 -0.054 30 20 DBED N#Cc1ccc(OCC(=O)N2CCN(C(=O)CO)CC2)cc1 330537518 KOPJTUXYYDWWMT-UHFFFAOYSA-N 303.318 -0.400 30 20 DBED CCNC(=O)CN1CCN(/C(O)=N/Cc2ccn(C)n2)CC1 330565608 KRCGWIAXCNSEOM-UHFFFAOYSA-N 308.386 -0.412 30 20 DBED CCN(CC)[C@H](C)C/N=C(/O)N1CC[C@@H](S(N)(=O)=O)C1 331277673 GJUCRLOHUDKGFJ-GHMZBOCLSA-N 306.432 -0.007 30 20 DBED CN(C)S(=O)(=O)CCCS(=O)(=O)N[C@@H]1CCC[C@H]1C#N 331335191 JUHYSIDSMURFIB-WDEREUQCSA-N 323.440 -0.120 30 20 DBED CN(CC(=O)N1CC(O)(CC#N)C1)S(=O)(=O)c1ccccc1 331905068 RWILZFOTBRLVCL-UHFFFAOYSA-N 323.374 -0.206 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)NCC1(N2CCOCC2)CC1 337168471 DDVPXDKBVYMJRM-GFCCVEGCSA-N 316.427 -0.223 30 20 DBED C=CCn1c(N)nnc1SCc1cc(=O)n(C)c(=O)n1C 339948131 XDAWJFJTYFUWRX-UHFFFAOYSA-N 308.367 -0.264 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCN(C3CC3)C2)C1=O 340975571 GCKBCJAKOGPDMT-SNVBAGLBSA-N 320.349 -0.684 30 20 DBED CSCC[C@](C)(C#N)NC(=O)Cn1ccc(=O)n(C)c1=O 344654765 FXBQRXRRFWJIKC-CYBMUJFWSA-N 310.379 -0.301 30 20 DBED C=CCNC(=O)CNC(=O)C(=O)Nc1c(C)nn(CC)c1C 347233383 NSQFOKNCCUQYQY-UHFFFAOYSA-N 307.354 -0.123 30 20 DBED C=CCSCCNC(=O)C(=O)NCCN1CCOC[C@@H]1C 355285232 CMEXPWZFVIQAFX-LBPRGKRZSA-N 315.439 -0.141 30 20 DBED COCCCS(=O)(=O)NCC(=O)N1CCC(F)(C#N)CC1 355995926 RIPLRPKKLAGTMT-UHFFFAOYSA-N 321.374 -0.203 30 20 DBED Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC(=O)NCC#N 357289318 NLYBXFYMQIXADA-UHFFFAOYSA-N 319.277 -0.402 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCN(C)[C@@H](C)C2)C1=O 357415662 NRVXFLNGUOTEPM-QWRGUYRKSA-N 322.365 -0.438 30 20 DBED CCO[C@@H]1C[C@@](CO)(NC(=O)NCC(=O)NCC#N)C1(C)C 358303532 XYOLYUMQAWUOSG-YGRLFVJLSA-N 312.370 -0.509 30 20 DBED Cn1c(NC[C@@H]2CN3CCC[C@@H]3CO2)c(C#N)c(=O)n(C)c1=O 365590938 VWIHNQQNYYJNNN-GHMZBOCLSA-N 319.365 -0.769 30 20 DBED CCOC(=O)[C@@H]1CN(S(=O)(=O)[C@@H](C)C#N)CC12COC2 416489489 QHVKHDSGIBDJBY-UWVGGRQHSA-N 302.352 -0.260 30 20 DBED CCN(CCC#N)S(=O)(=O)N[C@H]1CCS(=O)(=O)[C@H]1C 431628047 MLCQEWXEGDDOQX-UWVGGRQHSA-N 309.413 -0.368 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N[C@H]2CCO[C@H]2C2CC2)CCO1 554519278 CEALKYHVCSXSQT-WOPDTQHZSA-N 301.368 -0.387 30 20 DBED CCN(C)S(=O)(=O)CCCCS(=O)(=O)N(C)CC#N 576487380 XHZHFEHQALYZPA-UHFFFAOYSA-N 311.429 -0.167 30 20 DBED C=CCn1cc(CNC(=O)N2C[C@H](O)C[C@@H](C(=O)OC)C2)nn1 592030827 KGLYXHQVCUZWIJ-ZYHUDNBSSA-N 323.353 -0.471 30 20 DBED CN(C)S(=O)(=O)NCCNC(=O)N1CCC[C@H](CC#N)C1 596614618 VOJSWTCCLQJNSM-LLVKDONJSA-N 317.415 -0.282 30 20 DBED N#Cc1ncn(CC(=O)N[C@H]2CCCC[C@@H]2N2CCOCC2)n1 610887661 NNOQGNKECCKLPK-STQMWFEESA-N 318.381 -0.091 30 20 DBED C[C@H](NS(=O)(=O)c1cccnc1C#N)[C@H]1CN(C)CCO1 617474971 GQMCDGCXNNOSBE-CMPLNLGQSA-N 310.379 -0.049 30 20 DBED CC#CC[C@H](CO)Nc1cc(N2CCN(C)C(=O)C2)ncn1 645406351 YYCYONAPRPWLDC-GFCCVEGCSA-N 303.366 -0.059 30 20 DBED COc1ccc(C#N)cc1NC(=O)C(=O)N1CCCNC(=O)C1 726857704 SCVVFZKLVPVVOW-UHFFFAOYSA-N 316.317 -0.146 30 20 DBED Cn1cc(C[C@@H]2CC(=O)N(CN3CCO[C@@H](C#N)C3)C2=O)cn1 746377666 NHGZXQSXMFCTMZ-OLZOCXBDSA-N 317.349 -0.480 30 20 DBED C#CCNS(=O)(=O)N1CCN(C[C@H](C#N)CCC#N)CC1 761030232 FETTWCALORCLSC-ZDUSSCGKSA-N 309.395 -0.485 30 20 DBED C#CCn1c(=C(C#N)C#N)sc(=Cc2cnn(C=C)c2)c1=O 772312164 QQPUAKXSIZVNFM-UHFFFAOYSA-N 307.338 -0.133 30 20 DBED CN1CC[C@H](C(=O)OCC(=O)N(CCC#N)CCC#N)C1=O 772529467 VUHYAMIHDORPQE-NSHDSACASA-N 306.322 -0.336 30 20 DBED C#C[C@@H](NC(=O)C(=O)NC1COC(C)(C)OC1)[C@@H]1CCCO1 806655014 DGLZFZDMWXLZJB-NEPJUHHUSA-N 310.350 -0.449 30 20 DBED C#CCCN1CCC(NC(=O)[C@H](CO)NC(=O)C(C)C)CC1 813462185 RQSIQFUCDHBSBQ-AWEZNQCLSA-N 309.410 -0.277 30 20 DBED C#C[C@H](CCC)NC(=O)N1CCN(C(=O)Cn2cnnn2)CC1 820636258 RUSWBUZDZGZZGK-GFCCVEGCSA-N 319.369 -0.671 30 20 DBED C#CCNC(=O)c1ccccc1NC(=O)C1=NN2CCCN=C2N1 824171347 NBDPAUSVLVJELF-UHFFFAOYSA-N 324.344 -0.034 30 20 DBED N#CCn1cc(NC(=O)Cn2nc3n(c2=O)CCCC3)cn1 845345736 WNPFFBWXQDMBFY-UHFFFAOYSA-N 301.310 -0.260 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N1CCO[C@H](COC)C1 850709668 CNROOTBUMAETRY-ZDUSSCGKSA-N 312.366 -0.642 30 20 DBED C#CCN1CCN(C(=O)CN2CC[C@H]3NC(=O)CC[C@H]3C2)CC1 852497440 VTYAXYAIGHOCQN-LSDHHAIUSA-N 318.421 -0.636 30 20 DBED C#CC[C@H](CO)NC(=O)[C@@H](O)[C@H](O)c1nc2ccccc2[nH]1 854541438 FWMOSDSSBNNKGA-ICCXJUOJSA-N 303.318 -0.542 30 20 DBED C#CC[C@@H](CO)NC(=O)c1cc(C)c2c(O)nc(O)nc2n1 854545362 GYXINMHDYDWBHJ-QMMMGPOBSA-N 302.290 -0.142 30 20 DBED C#CCN1CCC(C(=O)N(CCN(C)C)CC(=O)N(C)C)CC1 855695107 HBXFQYMEGCGYSF-UHFFFAOYSA-N 322.453 -0.190 30 20 DBED C#CCN1CCC[C@H](NC(=O)N2CCN3C(=O)NC[C@@H]3C2)C1 890368293 GKXIQTVKASTCBB-QWHCGFSZSA-N 305.382 -0.497 30 20 DBED O=C(Cn1cnnn1)N1CCN(CC#Cc2ccccc2)CC1 894451713 GRUBHJLGDSWSPS-UHFFFAOYSA-N 310.361 -0.131 30 20 DBED CN1CCN(C(=O)CN(C)S(=O)(=O)CCCC#N)CC1 919296989 LZLQEDKCQNKOIY-UHFFFAOYSA-N 302.400 -0.674 30 20 DBED CN1CCN(C(=O)CNS(=O)(=O)CCCCC#N)CC1 920534721 HMVGNSPEMSLMCZ-UHFFFAOYSA-N 302.400 -0.626 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)Cn3cncn3)C2)nc1 938373846 RNUARHLNNDBDJQ-ZDUSSCGKSA-N 324.344 -0.315 30 20 DBED Cc1c(C(=O)NC[C@@H]2CN(C(=O)[C@@H](C)C#N)CCO2)cnn1C 944483324 VIIRKZRHTRDLQH-CMPLNLGQSA-N 319.365 -0.155 30 20 DBED C=CCCN1CC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)[C@@H](C)C1 945179406 IJPABYAXXYMCHJ-NWDGAFQWSA-N 320.397 -0.220 30 20 DBED C=CCn1cc(C(=O)N(C)[C@@H]2CCCN(CC(N)=O)CC2)nn1 948836533 ILTPGBHHIXBQRG-GFCCVEGCSA-N 320.397 -0.124 30 20 DBED C=CCn1cc(C(=O)N2CC[C@@H]2CNC(=O)c2cn[nH]c2)nn1 948925596 MHGXKACSPMLONK-LLVKDONJSA-N 315.337 -0.168 30 20 DBED CC#CCN1C[C@H](O)[C@H](CNC(=O)c2cnc3n2CCOC3)C1 958153409 UDXIXJHPUPRJKR-OCCSQVGLSA-N 318.377 -0.541 30 20 DBED CC#CCN1C[C@@H](O)[C@@H](CNC(=O)c2ccn(C)c(=O)c2)C1 958183140 LNXCPDQHIGLVSF-UONOGXRCSA-N 303.362 -0.569 30 20 DBED C#CCCN1C[C@@H](O)[C@H](CNC(=O)c2n[nH]c3c2CCC3)C1 958210117 HPKPSESROVZWEB-BXUZGUMPSA-N 302.378 -0.056 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2ccnc3nc(C)nn23)C1 958587098 GARWUSFLTQJFEP-YPMHNXCESA-N 314.349 -0.912 30 20 DBED CC#CCN1C[C@H](O)[C@H](CNC(=O)c2ccc(C(N)=O)cc2)C1 958658064 TXKSPCJRZDNKDZ-CABCVRRESA-N 315.373 -0.169 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H]2CN(C(=O)c3cnsn3)C[C@@H]21 960884289 QOOSUWYMTIFKDS-INTQDDNPSA-N 321.362 -0.250 30 20 DBED CC#CCN1C[C@H]2[C@H](NC(=O)[C@@H]3CN(C(C)=O)CCO3)[C@H]2C1 962440181 ZJJKVNADHYMHBU-LJISPDSOSA-N 305.378 -0.697 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@H](NC(=O)[C@H]2CCCNC2=O)C1 966586579 YYOBHZPCNVVGMQ-TUAOUCFPSA-N 323.393 -0.587 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)C(C)(C)C)C1 970449676 WHUARPHJRGCKIM-RDBSUJKOSA-N 321.421 -0.182 30 20 DBED C=CCN1CCO[C@]2(CCN(C(=O)c3cn(C)c(=O)n3C)C2)C1 972696836 ZTVQILUFBYFGBA-MRXNPFEDSA-N 320.393 -0.173 30 20 DBED C=CCn1cc(C(=O)N[C@H]2C[C@H](NC(=O)c3nc[nH]n3)C2)nn1 973285554 UCSNJLIAAFCUGD-KYZUINATSA-N 316.325 -0.727 30 20 DBED C=CCn1cccc1C(=O)N1C[C@H]2[C@H](NC(=O)C(N)=O)[C@H]2C1 977091009 VVFJFTIJSACKCP-IAZYJMLFSA-N 302.334 -0.654 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H](N(C)C(=O)Cn2ncnn2)C1 984584220 GNSBBZRBMRCMID-GHMZBOCLSA-N 305.342 -0.718 30 20 DBED C[C@H]1[C@@H](NCC#N)CCN1C(=O)c1ccc(-n2cnnn2)cn1 986604246 XGKBQHCIKYZAKJ-JQWIXIFHSA-N 312.337 -0.227 30 20 DBED C#CCCN1CCCN(C(=O)c2cn(C)c(=O)nc2O)CC1 989655838 IQQAQKYHSUOXSG-UHFFFAOYSA-N 304.350 -0.343 30 20 DBED N#Cc1ccc(C(=O)NC2CN(C(=O)c3cnns3)C2)[nH]1 990888869 KDNRXULTNULPDZ-UHFFFAOYSA-N 302.319 -0.008 30 20 DBED Cc1nc(CC(=O)NC2CN(C(=O)c3cc(C#N)c[nH]3)C2)n[nH]1 991265144 SYMNKTWYWPDWSH-UHFFFAOYSA-N 313.321 -0.504 30 20 DBED C=CCCN1CCC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@H]1C 993330749 DQWNAQQDSGQJAW-VXGBXAGGSA-N 320.397 -0.078 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)C[C@H]2COC(=O)C2)C1 1000005488 NYLUIWFOKASVSW-RTXFEEFZSA-N 322.361 -0.142 30 20 DBED C=CCN1CC[C@H](n2cc(CNC(=O)[C@H]3C[C@H]3C(N)=O)nn2)C1 1000025161 OUZVQRWMQRZAJU-XQQFMLRXSA-N 318.381 -0.552 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(CNC(=O)[C@H]2CCNC2=O)C1 1003563190 BXWWDGOPRVHLON-AGIUHOORSA-N 321.377 -0.712 30 20 DBED O=C(Cn1cnnn1)N[C@@H]1CCN(CC#Cc2ccccc2)C1 1010103131 DIJCVWCFFBYZDH-OAHLLOKOSA-N 310.361 -0.085 30 20 DBED N#Cc1ccc(CN2CC[C@H](NC(=O)Cn3ncnn3)C2)s1 1014428875 MKXHPLGRBJARME-JTQLQIEISA-N 317.378 -0.003 30 20 DBED C[C@@H](C#N)C(=O)N1CC=C(CNC(=O)[C@@H]2COCCO2)CC1 1017305419 LHKRFUJMIWFPKF-AAEUAGOBSA-N 307.350 -0.164 30 20 DBED C#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CN(C)C1=O 1018245566 IFORBJAYAUNCBI-TXEJJXNPSA-N 304.350 -0.811 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@H](NCc3nc(O)n[nH]3)C2)nc1 1019677048 PRERWKAEWVQZPN-NSHDSACASA-N 312.333 -0.109 30 20 DBED Cc1cc(C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2O)nn1C 1023147817 GPQCEZKEVIWQBN-ZIAGYGMSSA-N 316.361 -0.557 30 20 DBED N#Cc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cocn3)C2)c[nH]1 1023195622 YFGGCMAEHPKNCZ-ZYHUDNBSSA-N 315.289 -0.510 30 20 DBED C#CCCN1CCC[C@H](CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 1023590998 MACIMNPDRGLALO-HZSPNIEDSA-N 307.394 -0.129 30 20 DBED N#CCN[C@@H]1CC[C@H]2CN(C(=O)CN3CCOCC3=O)C[C@@H]21 1026285613 PPMIUGIPIKBEOA-RWMBFGLXSA-N 306.366 -0.805 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)c3[nH]nnc3C)C2)C1=O 1030777430 XXPRPRUPKQXAOM-NSHDSACASA-N 304.354 -0.686 30 20 DBED CN(C)CCn1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3CC#N)n1 1032408692 CJKXXRBNZWSFOJ-STQMWFEESA-N 302.382 -0.133 30 20 DBED CC(C)C#CC(=O)NC[C@]1(O)CCN(C(=O)c2cnn[nH]2)C1 1039665015 CAKPUNWDUHVLLB-CQSZACIVSA-N 305.338 -0.843 30 20 DBED C#CCOCCC(=O)N1CC[C@](O)(CNC(=O)C#CC2CC2)C1 1039685233 LEHUBNHFWSAXBM-KRWDZBQOSA-N 318.373 -0.481 30 20 DBED C=C(C)CCC(=O)N1CC[C@@](O)(CNC(=O)[C@H]2CNC(=O)N2)C1 1040723531 JVZTTWPVCIBUBF-IAQYHMDHSA-N 324.381 -0.896 30 20 DBED C[C@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)C2=COCCC2)C1 1040759797 CYTMCYDGICGENX-IAQYHMDHSA-N 307.350 -0.080 30 20 DBED N#Cc1cncc(N2C[C@@H](O)[C@H](NC(=O)c3cnsn3)C2)n1 1040939785 WGYCASMVJMKSHS-NXEZZACHSA-N 317.334 -0.821 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)C[C@@H]2CCC(=O)NC2)C1 1041960260 KIWZFPWJIKOAFF-LBPRGKRZSA-N 323.393 -0.442 30 20 DBED C#CCCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1042654878 CPHMKIGRGBEAKW-VXGBXAGGSA-N 323.349 -0.465 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)[C@@H](CC)N(C)C)C1 1042799504 ODHWLDLICPCRRQ-CYBMUJFWSA-N 309.410 -0.180 30 20 DBED C=CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)c2ncc[nH]2)C1 1042941015 SVIFFYDEYCRYLN-SNVBAGLBSA-N 308.338 -0.696 30 20 DBED Cn1nccc1C(=O)N1CC(O)(CNC(=O)C#CC(C)(C)C)C1 1042966394 WAEZDPYQHUXJTM-UHFFFAOYSA-N 318.377 -0.227 30 20 DBED C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1Nc1ccc(C#N)nn1 1043521154 NBEHMUQBHDOKFP-KXGXSXBTSA-N 314.349 -0.272 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H]2CN(c3ccc(C#N)nn3)C[C@@H]21 1043679890 FJGFVOANGLDSDZ-WCFLWFBJSA-N 312.333 -0.076 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)CCCC(N)=O)C1 1043701859 PEVZIOALNWFQHH-UHFFFAOYSA-N 309.366 -0.865 30 20 DBED C#CCN1CCC(C(=O)N(C)C2CN([C@@H](C)C(N)=O)C2)CC1 1044333398 PWCYVLSMDIGTFW-LBPRGKRZSA-N 306.410 -0.652 30 20 DBED C#CCN1CC[C@@H](N2CCN(C(=O)[C@H]3CCN(C)C3)CC2)C1 1046083002 ZVVFPNPXDBPOGK-JKSUJKDBSA-N 304.438 -0.210 30 20 DBED C=C(C)CN1C[C@H](O)[C@@H](N(C)C(=O)c2ccn3nnnc3c2)C1 1047482968 QZOWKTFWHVKCKB-STQMWFEESA-N 316.365 -0.183 30 20 DBED COCCCCC(=O)N(C)[C@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1O 1048515329 WPOMCFZEACLXPT-AVGNSLFASA-N 311.382 -0.007 30 20 DBED CC(C)C#CC(=O)N(C)[C@H]1CN(C(=O)CN2CCCC2)C[C@@H]1O 1048813437 CFBXDIAAIYCAOG-GJZGRUSLSA-N 321.421 -0.228 30 20 DBED CC(C)C#CC(=O)N[C@H](C)[C@H]1CCN(C(=O)CNC(N)=O)C1 1049982933 JMNFCOIYDHGSQQ-NEPJUHHUSA-N 308.382 -0.333 30 20 DBED C[C@@H]1[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)CCN1c1cncc(C#N)n1 1051010973 BDXNRMRBIIMICN-YJQGPUDQSA-N 314.349 -0.447 30 20 DBED C=CCCN1CC2(C1)CN(C(=O)[C@@H]1CN(C)CCO1)CCO2 1053202166 JLBCFIFQUUQPSI-AWEZNQCLSA-N 309.410 -0.194 30 20 DBED C[C@H](C(N)=O)N1CC2(C[C@@H](NC(=O)c3cc(C#N)c[nH]3)CO2)C1 1053766747 UVJMIDBSIZBXIJ-MWLCHTKSSA-N 317.349 -0.667 30 20 DBED C#CCN[C@H]1CN(C(=O)c2ccc(=O)n(CCOC)n2)C[C@@H]1C 1054879354 IHNUYFKJZJQYHM-JSGCOSHPSA-N 318.377 -0.427 30 20 DBED C=CCCC(=O)N1C[C@H]2CN(C(=O)Cn3cnnc3O)C[C@H]2C1 1055233466 LMILQGIIXNMSAI-TXEJJXNPSA-N 319.365 -0.133 30 20 DBED CN1CC[C@H](C(=O)NC2[C@H]3CN(c4cncc(C#N)n4)C[C@H]23)C1 1056229728 ZNHDGQCOXDMZTH-DRZSPHRISA-N 312.377 -0.149 30 20 DBED Cn1ncc(C(=O)NC2[C@@H]3CN(c4ccc(C#N)cn4)C[C@@H]23)n1 1056257021 OEFKTFFKCBAQSL-GHMZBOCLSA-N 309.333 -0.054 30 20 DBED N#Cc1c[nH]c(C(=O)NCCN(CCO)C(=O)c2ccon2)c1 1057092613 RLBXBMCOHRPSCM-UHFFFAOYSA-N 317.305 -0.261 30 20 DBED C=C[C@](C)(O)CC(=O)NCCN(CCO)C(=O)Cc1cc[nH]n1 1057256902 ZEXFWDWAGUGKDC-HNNXBMFYSA-N 324.381 -0.784 30 20 DBED CN1CC[C@H](C(=O)N[C@H]2CCN(c3cnc(C#N)cn3)C2)C1 1058373900 SBSUDXDZHBNGAD-RYUDHWBXSA-N 300.366 -0.005 30 20 DBED Cc1nc(N2CC[C@@H](NC(=O)Cn3ncnn3)C2)ccc1C#N 1058451820 FRGZFSDOVUQGLM-GFCCVEGCSA-N 312.337 -0.357 30 20 DBED N#Cc1nccnc1N[C@H]1CCN(C(=O)CN2CCOCC2)C1 1058862705 NOYWISHSHNGJOJ-LBPRGKRZSA-N 316.365 -0.307 30 20 DBED N#Cc1nc(=N[C@H]2CCN(C(=O)CN3CCOCC3)C2)cc[nH]1 1058862815 UCOSDKGAYRFHFN-LBPRGKRZSA-N 316.365 -0.885 30 20 DBED N#Cc1ccc(N[C@H]2C[C@H](NC(=O)C3CS(=O)(=O)C3)C2)nn1 1059312856 MPHARMPSHRHHMO-XYPYZODXSA-N 321.362 -0.548 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](CCNC(=O)CNC(C)=O)C1 1059644591 UJPWIWMLFUKDQJ-CQSZACIVSA-N 323.393 -0.483 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)c1ccc(O)nn1 1061845519 IMODMCLIZSGSCH-NXEZZACHSA-N 319.321 -0.701 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)Cn1ccnc1 1061850801 CFPBBSDKXBETCU-NEPJUHHUSA-N 305.338 -0.614 30 20 DBED N#Cc1c[nH]c(C(=O)N2CCCC[C@@H]2CNC(=O)C(N)=O)c1 1062103685 BYTJTOLEUSCHSS-SNVBAGLBSA-N 303.322 -0.517 30 20 DBED C[C@H]1CCCN(C(=O)C(N)=O)[C@@H]1CNc1nccnc1C#N 1063956691 LMMASSHAVVPKQH-GXSJLCMTSA-N 302.338 -0.127 30 20 DBED N#Cc1nccnc1N1CC[C@H]2CCN(C(=O)C(N)=O)C[C@@H]21 1064699663 YVORXCJRIYTQJB-KOLCDFICSA-N 300.322 -0.739 30 20 DBED C=CCCC(=O)N1CCO[C@@H](CNC(=O)[C@@H]2CCCNC2=O)C1 1064960444 XFAVTNZQJABPFC-QWHCGFSZSA-N 323.393 -0.178 30 20 DBED C[C@@H](CC(N)=O)C(=O)NC[C@H]1CN(C(=O)C#CC2CC2)CCO1 1065136307 ADCHHOIGYAKJBO-AAEUAGOBSA-N 321.377 -0.745 30 20 DBED Cn1ccc(C(=O)N2CCO[C@H](CNC(=O)C#CC3CC3)C2)n1 1065169934 UIWGUQBVTHJYFT-CYBMUJFWSA-N 316.361 -0.209 30 20 DBED CC#CCCCC(=O)N1CCO[C@H](CNC(=O)CC(N)=O)C1 1065484299 TUTQUIFHQLSOOZ-GFCCVEGCSA-N 309.366 -0.601 30 20 DBED N#Cc1cnccc1N1CCOC[C@H]1CNC(=O)c1cnn[nH]1 1066530344 DLNYPOAHVXJOLK-LLVKDONJSA-N 313.321 -0.293 30 20 DBED N#Cc1nc(=NC[C@@H]2CN(C(=O)[C@H]3CCCO3)CCO2)cc[nH]1 1066587253 WFFXZLUYRCKPGH-VXGBXAGGSA-N 317.349 -0.412 30 20 DBED C=C[C@](C)(O)CC(=O)N(C)CCCN(C)C(=O)Cn1nccn1 1067292504 PAXMWGHVJITBNY-HNNXBMFYSA-N 323.397 -0.088 30 20 DBED C[C@H](C#N)C(=O)N(C)CCCN(C)C(=O)[C@]1(C)CNC(=O)C1 1067817691 CQXSZRWHAPAYCO-ABAIWWIYSA-N 308.382 -0.021 30 20 DBED Cn1cnc(C(=O)NC[C@H]2[C@@H]3CN(c4cnc(C#N)cn4)C[C@H]23)n1 1068170973 PWWPZKNYPSUTMV-CNDDSTCGSA-N 324.348 -0.411 30 20 DBED C=CCCC(=O)NC[C@H]1CCC2(CN(C(=O)CNC(N)=O)C2)O1 1068533688 XXTAGWNLUFVNDG-LLVKDONJSA-N 324.381 -0.503 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@]2(C)CCNC2=O)C1 1070023130 CKTXJPJPCHCCOR-XUJVJEKNSA-N 318.381 -0.668 30 20 DBED CC#CCCCC(=O)N[C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1C 1071555296 BDFHTVIBDJGONC-CHWSQXEVSA-N 318.381 -0.170 30 20 DBED C#CCCN1C[C@H](NC(=O)CN2CC(=O)NC2=O)CC[C@@H]1C 1071907656 DOJBJSRCAFRXKT-NWDGAFQWSA-N 306.366 -0.469 30 20 DBED CCNC(=O)CC(=O)N1C[C@H](C)[C@@H](NC(=O)C#CC2CC2)C1 1071939079 KPVQTOZVKATDAK-AAEUAGOBSA-N 305.378 -0.111 30 20 DBED C[C@@H]1CC[C@@H](NC(=O)c2nccnc2C(N)=O)CN1CC#N 1072057739 AIEIWHJVEKYROT-NXEZZACHSA-N 302.338 -0.318 30 20 DBED C#CCOCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)c2cnn(C)n2)C1 1072096814 FDNLMJBXVKRDNX-YPMHNXCESA-N 319.365 -0.568 30 20 DBED C#CCOCCC(=O)N[C@H]1CN(C(=O)Cn2nccn2)C[C@@H]1C 1072184712 ZGTWQHYLZBNZTC-STQMWFEESA-N 319.365 -0.719 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCN(C[C@H](O)Cn3cccn3)C2)C1 1072544099 AXWMFNDHLNRPHX-KBPBESRZSA-N 317.393 -0.062 30 20 DBED CC(C)C#CC(=O)N[C@H]1CN(C(=O)Cc2nc[nH]n2)C[C@H]1C 1072779078 ZAIVSVKPRJRFQO-NEPJUHHUSA-N 303.366 -0.030 30 20 DBED CC#CCN1CCCO[C@@H](CNC(=O)[C@H]2CCN(C)C2=O)C1 1073732062 GMKJJSGYTNYMFR-UONOGXRCSA-N 307.394 -0.305 30 20 DBED CC#CCN1CCCO[C@H](CNC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 1073772258 JLLSKTNSMHGTSG-QLFBSQMISA-N 321.421 -0.059 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)c3cc(OC)n(C)n3)C[C@H]21 1074293737 CLNHHVZBIITTGP-KGLIPLIRSA-N 318.377 -0.023 30 20 DBED Cn1nc(C(F)(F)F)cc1C(=O)N[C@@H]1CN(CC#N)C[C@H]1O 1077056634 ZTZHLVRQXIGZMA-VXNVDRBHSA-N 317.271 -0.263 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC(=O)N(C(C)C)C2)C1 1077083807 INPYOZXUNSZCQO-BFHYXJOUSA-N 309.410 -0.019 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2cn(C)nc2[C@H]2CCOC2)C1 1077456917 CYALZUCCPOXZCQ-IACUBPJLSA-N 318.377 -0.668 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)Cn2c(C)cc(C)nc2=O)C1 1077903979 CKBFLYOXSWHKBL-ZIAGYGMSSA-N 318.377 -0.955 30 20 DBED N#CCN[C@@H]1C[C@@H](NC(=O)C2CC(=O)NC(=O)C2)C12CCC2 1078748572 BIETUWGFIIYJKC-GHMZBOCLSA-N 304.350 -0.420 30 20 DBED C#CCNC(=O)CC(=O)N(CC)C1CN(C(=O)COCC)C1 1079644844 UXSIVYHILOHBIQ-UHFFFAOYSA-N 309.366 -0.778 30 20 DBED CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)[C@H]2CCCNC2=O)C1 1080417245 ZEODEPOTQGVAQR-JQWIXIFHSA-N 306.366 -0.268 30 20 DBED CCOCC(=O)NC[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1O 1081220516 IWECTGMYQWGOJV-YPMHNXCESA-N 320.349 -0.528 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)c2n[nH]cc2F)C[C@H]1O 1081441137 DYJYJZRBGFIGLG-ZYHUDNBSSA-N 322.340 -0.099 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2n[nH]cc2C)C1 1081466608 VWXIXLFBQNRQNI-NWDGAFQWSA-N 322.365 -0.530 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(C(=O)/C=C/C2CC2)C[C@H]1O 1081488855 MPKXXRCEEGUMKB-XEVLESSRSA-N 320.389 -0.072 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1ccn(C)c(=O)c1 1083123606 JWMBFPHAVAVKEM-LSDHHAIUSA-N 315.373 -0.066 30 20 DBED Cn1c(C(=O)N2CCO[C@@H]3CN(CC#N)C[C@@H]32)cccc1=O 1083188454 WCOFJZSKALFACP-QWHCGFSZSA-N 302.334 -0.566 30 20 DBED N#CCN[C@H]1C[C@@H](CNC(=O)[C@@H]2CN3CC4CC3(CO2)C4)C1 1086152916 PIUHVLSLSBZANA-JDZQBJQSSA-N 304.394 -0.142 30 20 DBED Cn1cc(C(=O)NC[C@H]2CC[C@@H](NCC#N)C2)c(=O)n(C)c1=O 1086817858 FEQFOATVISJONT-WDEREUQCSA-N 319.365 -0.904 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@H](O)C(C)C)C[C@H]1c1cnn(C)c1 1086977676 IPCXYYKARRABJP-RRFJBIMHSA-N 304.394 -0.046 30 20 DBED C#CCN1CC[C@H](NC(=O)CN2CC(=O)NC2=O)CC(C)(C)C1 1089518844 HYARJAKDXPXRHV-LBPRGKRZSA-N 320.393 -0.222 30 20 DBED C=CCN1CC[C@@H](NC(=O)c2ccc(=O)n(CC)n2)[C@H](O)C1 1090652529 NIBAWOLHBNMNFX-DGCLKSJQSA-N 306.366 -0.386 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2cccc3nnn(C)c23)[C@H](O)C1 1090856762 HPURKVCDVMKDNJ-TZMCWYRMSA-N 313.361 -0.234 30 20 DBED C#CCN1CC(OC2CCN(C(=O)CN3CCCC3=O)CC2)C1 1093505613 OEKLLGFBBLFEHJ-UHFFFAOYSA-N 319.405 -0.066 30 20 DBED CC(=O)N1CC[C@H](C(=O)NCCNc2nccnc2C#N)C1 1093781227 CVALEZLBMJULMF-NSHDSACASA-N 302.338 -0.255 30 20 DBED N#Cc1nc(=NCCCNC(=O)[C@@H]2CCNC(=O)C2)cc[nH]1 1094382234 UFPXYWFRZJJRAB-SNVBAGLBSA-N 302.338 -0.785 30 20 DBED N#Cc1ccc(NCCCNC(=O)[C@@H]2CCCN2C(N)=O)nn1 1094474729 BWBJUBOVEITJIT-NSHDSACASA-N 317.353 -0.190 30 20 DBED N#Cc1cncc(NCCCNC(=O)C[C@H]2CC(=O)NC2=O)n1 1094485272 DJPKHTVVKVNFOI-VIFPVBQESA-N 316.321 -0.681 30 20 DBED N#Cc1cnc(NCCCNC(=O)C(=O)NCC(F)F)cn1 1094658729 NDEJANHBGNKRQD-UHFFFAOYSA-N 312.280 -0.352 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)c3cc(CC)[nH]n3)CC2=O)C1 1094705493 LVJVABUVNJAEGJ-LBPRGKRZSA-N 315.377 -0.380 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)[C@H]3CC(=O)N(C)C3)CC2=O)C1 1094742234 PKRACRIYZLVNTG-NWDGAFQWSA-N 320.393 -0.948 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)c3cn(CC)cn3)CC2=O)C1 1094809722 OROBIJKAGNLURY-LBPRGKRZSA-N 315.377 -0.449 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](N(C)c2nccnc2F)C1 1095111258 PESMLIZMPPMNHQ-LLVKDONJSA-N 319.340 -0.208 30 20 DBED N#Cc1cncc(N[C@@H]2CCCN(C(=O)CNC(N)=O)C2)n1 1095274437 JLBPATJOGBDIMY-SECBINFHSA-N 303.326 -0.581 30 20 DBED C[C@H](NC(N)=O)C(=O)N[C@@H]1CCCN(c2ccnc(C#N)n2)C1 1096162880 SMUZKFQJPGNSFT-VHSXEESVSA-N 317.353 -0.510 30 20 DBED COCC(=O)NCCN1CCN(c2nc(C)cc(C#N)n2)CC1 1096266413 NNWRVEUYDILHJA-UHFFFAOYSA-N 318.381 -0.459 30 20 DBED CNC(=O)NCCC(=O)N[C@@H]1CCN(c2ncccc2C#N)C1 1096367900 VAYVOBMWQOENSW-GFCCVEGCSA-N 316.365 -0.033 30 20 DBED N#Cc1nccnc1N1CC[C@@H](NC(=O)CO[C@H]2CCOC2)C1 1096439760 NLBFIJMXZGXURI-NEPJUHHUSA-N 317.349 -0.151 30 20 DBED Cc1nc(N[C@H]2C[C@@H](NC(=O)CNC(N)=O)C2)ccc1C#N 1097145846 BSVRGOFBYWXMNJ-PHIMTYICSA-N 302.338 -0.011 30 20 DBED CNC(=O)CC(=O)N1CCC[C@H](CN=c2cc[nH]c(C#N)n2)C1 1097361616 WGJFCEQLVSZHCD-LLVKDONJSA-N 316.365 -0.443 30 20 DBED Cc1nc(CC(=O)NC[C@@H](C)N=c2cc[nH]c(C#N)n2)n[nH]1 1097806773 UYJGULXTVVVQMU-MRVPVSSYSA-N 300.326 -0.644 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CCCN1C(N)=O)N=c1cc[nH]c(C#N)n1 1097919481 KSXHKBFPAXICCT-UWVGGRQHSA-N 317.353 -0.770 30 20 DBED C[C@@H](CC(=O)NC[C@@H](C)N=c1cc[nH]cc1C#N)NC(N)=O 1098076724 XBCSRXIVCVTLIV-VHSXEESVSA-N 304.354 -0.261 30 20 DBED COCC(=O)N[C@H](C)C(=O)NC[C@H](C)Nc1nccnc1C#N 1098342186 NIGYEKGWUDCRKH-VHSXEESVSA-N 320.353 -0.584 30 20 DBED CN(c1cnc(C#N)cn1)[C@@H]1CCCN(C(=O)CNC(N)=O)C1 1098680098 FKIJNQMLDOZRON-LLVKDONJSA-N 317.353 -0.556 30 20 DBED C#CCCN1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2NC(=O)NC2=O)C1 1098881763 ZLHPMXCSAHYXFB-MKBNYLNASA-N 318.377 -0.422 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)c2ncoc2C)[C@@H](O)C1 1099709237 DSXIFCRLNWUOHA-NEPJUHHUSA-N 322.365 -0.550 30 20 DBED Cn1ccc(CN2CC[C@@H](NC(=O)C#CC3CC3)[C@@H](O)C2)n1 1099827636 YDJWQGRPMXEZJN-CABCVRRESA-N 302.378 -0.115 30 20 DBED C=C(C)CCC(=O)N[C@@H]1CCN(CCN2CCNC2=O)C[C@H]1O 1099858461 MIGVSEQBPORXFZ-ZIAGYGMSSA-N 324.425 -0.081 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)Cn2cncc2C)[C@H](O)C1 1099918964 UPYALWNLFQQSRA-HUUCEWRRSA-N 322.409 -0.054 30 20 DBED C=CCCCC(=O)N[C@H]1CCN(CCS(C)(=O)=O)C[C@H]1O 1099975683 GBCPVJGHWQLAKF-QWHCGFSZSA-N 318.439 -0.061 30 20 DBED N#CCNC(=O)CN1CC[C@@H](NC(=O)C2CC3(CC3)C2)[C@@H](O)C1 1100000600 IASYRWQTUNVWHI-OLZOCXBDSA-N 320.393 -0.632 30 20 DBED N#CCNC(=O)CNC1CC(CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 1100689567 HFSPUXRBJBKTDC-YAWVXEGQSA-N 320.393 -0.322 30 20 DBED C[C@H](CC(N)=O)C(=O)N[C@H]1CC2(CN(CC#N)C2)n2ccnc21 1101635792 SCQHOYPNDRKXBJ-MNOVXSKESA-N 316.365 -0.510 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H]1CN(C[C@@H]2CCOC2)C[C@H]1C 1101900431 NRJDZQJITJBWDN-QLFBSQMISA-N 321.421 -0.154 30 20 DBED CC[C@H](CNC(=O)CC(=O)N(C)C)N=c1cc[nH]c(C#N)n1 1103347604 PGPDKZGYGCQNDK-SNVBAGLBSA-N 304.354 -0.445 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)CO[C@H]1CCOC1 1104098999 GMHJOXRQCHVUKA-RYUDHWBXSA-N 319.365 -0.260 30 20 DBED C[C@@H](CN=c1cc[nH]cc1C#N)CNC(=O)[C@@H]1CCNC1=O 1104156949 BEJRUXDTXLHRTO-CMPLNLGQSA-N 301.350 -0.325 30 20 DBED Cn1nccc1C(=O)NC[C@@H](O)CNc1ncccc1C#N 1105740256 WEPSRAIBVOCCRL-NSHDSACASA-N 300.322 -0.110 30 20 DBED COCCc1nsc(NC[C@@H](O)CNC(=O)[C@H](C)C#N)n1 1105773141 CTMSNCYTJMDBDC-BDAKNGLRSA-N 313.383 -0.224 30 20 DBED COCc1cc(NC[C@@H](O)CNC(=O)C#CC2CC2)ncn1 1105826152 ZNEHAYCCNJOBLV-CYBMUJFWSA-N 304.350 -0.075 30 20 DBED C[C@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)[C@]1(C)CCNC1=O 1106565935 NDIKDYBIDARGML-MEBBXXQBSA-N 316.365 -0.397 30 20 DBED C#CCNC[C@@H]1CN(C(=O)CCn2cnccc2=O)C[C@H]1C 1106816624 CACNURWEKSKKTL-ZIAGYGMSSA-N 302.378 -0.049 30 20 DBED C#CCNC[C@@H]1CN(C(=O)CN2CC(=O)N(C)C2=O)C[C@H]1C 1106871164 IOZLIYVHWGNJPJ-VXGBXAGGSA-N 306.366 -0.802 30 20 DBED C#CCNC(=O)CC(=O)NC/C=C/CN=c1cc[nH]cc1C#N 1107130511 PHHYVLBUCULQJG-ONEGZZNKSA-N 311.345 -0.401 30 20 DBED CN1C[C@@H](C(=O)NC/C=C\CNc2cncc(C#N)n2)NC1=O 1107451889 RPNNKILDOANQPZ-QUCGXOGASA-N 315.337 -0.544 30 20 DBED CN1CC[C@@H](C(=O)NC/C=C/CNc2cnc(C#N)cn2)C1=O 1107460661 YYSHCIYPTQUJAC-JDGPPOGSSA-N 314.349 -0.089 30 20 DBED CCn1nnc(C)c1C(=O)N[C@H](C)CN=c1cc[nH]c(C#N)n1 1107969485 ZZIAOOHLGZQFNH-SECBINFHSA-N 314.353 -0.080 30 20 DBED C[C@H](CNc1cnc(C#N)cn1)NC(=O)[C@H]1CC(=O)N(C)C1 1108178290 RYARACFEKMMMSO-ZJUUUORDSA-N 302.338 -0.257 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)CCn3cccn3)CC2=O)C1 1108506643 WUPQRNPWUVSNHE-CYBMUJFWSA-N 315.377 -0.692 30 20 DBED C=CC(C)(C)C(=O)N[C@H]1CC(=O)N(C2CN([C@H](C)C(N)=O)C2)C1 1108560844 OIELNCNINYDQRO-MNOVXSKESA-N 322.409 -0.526 30 20 DBED C=CCOCCN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1cnnn1)C2 1108613519 FPIVRBNTJHQQKI-IHRRRGAJSA-N 320.397 -0.155 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H](C)OC 1109171056 CEEYHYIANHOPJN-CRWXNKLISA-N 307.394 -0.118 30 20 DBED Cc1nc(N(C)C[C@@H](C)NC(=O)[C@@H]2CNC(=O)N2)ccc1C#N 1109210652 FLHJCDSSQFPZQJ-SKDRFNHKSA-N 316.365 -0.116 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CN(c2nccnc2C#N)C[C@@H]1O 1111176821 PRPRZZRUFBTNGE-DLOVCJGASA-N 300.322 -0.484 30 20 DBED CN(CCCN(C)c1ccc(C#N)nn1)C(=O)Cn1cnnn1 1112040660 VSAOSZXJHFOUOU-UHFFFAOYSA-N 315.341 -0.680 30 20 DBED CN(C)CCC(=O)NC[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1O 1112755068 LIDIHOTXWJUEFQ-VXGBXAGGSA-N 318.381 -0.787 30 20 DBED CCc1ncoc1C(=O)N1CCN(CC(=O)NCC#N)CC1 1113326150 FVQWSQYTNAIFSO-UHFFFAOYSA-N 305.338 -0.365 30 20 DBED Cc1cc(C#N)nc(N(C)[C@@H](C)CNC(=O)[C@@H]2COC(=O)N2)n1 1113591059 OSGLCWYSKNASNO-ONGXEEELSA-N 318.337 -0.294 30 20 DBED C[C@@H](CNC(=O)[C@]1(C)CCC(=O)N1)N(C)c1ccnc(C#N)n1 1113866853 IUDPZZDISBRJJT-BONVTDFDSA-N 316.365 -0.042 30 20 DBED COCC#CCN1C[C@@H]2C(NC(=O)CC3OCCCO3)[C@H]2C1 1114174613 XDSPLENJZXFWLT-STQMWFEESA-N 308.378 -0.164 30 20 DBED N#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)C3(C(F)F)CC3)[C@H]2C1 1114281243 WDNNZLWQQBUIJS-JZYVYDRUSA-N 312.320 -0.282 30 20 DBED CC[C@]1(C(=O)N[C@H]2[C@@H]3CN(CC#CCOC)C[C@@H]32)CCNC1=O 1114422604 FLKPTYJJLCGJFE-CFAJVAMVSA-N 319.405 -0.401 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)c3c[nH]nc3CC)[C@H]2C1 1114502254 QNTIHGRTMKRQAD-RYUDHWBXSA-N 317.393 -0.066 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)c3nc[nH]n3)[C@H]2C1 1114992668 YYSXPYFCBGRIQV-GUBZILKMSA-N 304.354 -0.845 30 20 DBED CC(C)[C@@H](CCNC(=O)CC(N)=O)N=c1cc[nH]c(C#N)n1 1115302938 UINXLVUUKMRRKZ-SNVBAGLBSA-N 304.354 -0.412 30 20 DBED C=CCOCCN1C[C@@H]2C(NC(=O)c3cn(C)c(=O)n3C)[C@H]2C1 1115305592 ACMYWIDHANKTFD-RYUDHWBXSA-N 320.393 -0.414 30 20 DBED N#CCNC(=O)CNC(=O)C[C@H](NC(N)=O)c1cccs1 1117320244 GAWSRHBFPZBURQ-QMMMGPOBSA-N 309.351 -0.396 30 20 DBED O=C(NCC#CCO)c1n[nH]cc1I 1118314241 NCICLCSLIVQSTQ-UHFFFAOYSA-N 305.075 -0.260 30 20 DBED Cc1cnn(CC(=O)NC[C@@H](CO)Nc2cncc(C#N)n2)c1 1121156911 FXSGCECATLVIBC-LBPRGKRZSA-N 315.337 -0.558 30 20 DBED CNC(=O)CCCC(=O)NC[C@H](CO)Nc1ccc(C#N)nc1 1121464686 NGPCGZKNMKZBON-CYBMUJFWSA-N 319.365 -0.241 30 20 DBED CN1CC[C@@H](C(=O)NC[C@@H](CO)N=c2cc[nH]cc2C#N)C1 1121588985 DSFOGWUALJWFSL-YPMHNXCESA-N 303.366 -0.784 30 20 DBED Cn1ncc(C(=O)NC[C@H](CO)Nc2ncc(C#N)cc2F)n1 1121770596 MDEZAULODZNBEX-SECBINFHSA-N 319.300 -0.576 30 20 DBED COCC1(C(=O)NC[C@H](CO)N=c2cc[nH]cc2C#N)CC1 1122246617 SFWJQIWKASXGEO-GFCCVEGCSA-N 304.350 -0.309 30 20 DBED C[C@@H](C(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1)C(F)(F)F 1122326391 WQLAHGFRLBZIOT-YUMQZZPRSA-N 317.271 -0.142 30 20 DBED C[C@@H]1[C@H](C(=O)NC[C@H](CO)Nc2cncc(C#N)n2)CCN1C 1122751852 BMBYWZHKTFNPDR-RAIGVLPGSA-N 318.381 -0.423 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C[C@H](O)CNc1cnc(C#N)cn1 1124519610 NCYFQQHRZVTWCY-WCQYABFASA-N 317.349 -0.382 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)CC[C@H](C)OC 1126043459 ORLUCOFSPTWRIZ-NSHDSACASA-N 314.386 -0.481 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCNC[C@H]1CCCS(=O)(=O)C1 1126366758 ZJPNBNINOCIOLP-TZMCWYRMSA-N 318.439 -0.156 30 20 DBED C#CCOCCC(=O)NCCNCc1nc(CCOC)no1 1127027377 PVZBGPTUODXNJM-UHFFFAOYSA-N 310.354 -0.496 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)[C@@H]1C[C@@H](C)CO1 1131527712 ZVYICALNSWHTPJ-MNOVXSKESA-N 312.370 -0.871 30 20 DBED C[C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)C[C@H]1CNCC#N 1133185611 GJQZMRPESFDZIZ-GHMZBOCLSA-N 307.354 -0.864 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1ccnc2c1ncn2C 1133688021 ROGNPGHXZKBSDD-UHFFFAOYSA-N 316.365 -0.410 30 20 DBED C#CCOCCC(=O)N[C@H](C)C[C@@H](C)NCc1nc(O)n[nH]1 1134351304 FROIWVMKBJONCU-GHMZBOCLSA-N 309.370 -0.077 30 20 DBED C[C@H](C[C@@H](C)NC(=O)CCc1cn[nH]c1)NCC(=O)NCC#N 1135652422 ZZHQDSQWESKITO-VXGBXAGGSA-N 320.397 -0.145 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1cccc2nccnc12 1135677499 LTVJLCSSJCAGBF-UHFFFAOYSA-N 312.333 -0.411 30 20 DBED CCS(=O)(=O)CC(=O)N[C@H](C)C[C@H](C)NCC#CCOC 1146590761 AALFWNNDZKOKQV-QWHCGFSZSA-N 318.439 -0.056 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1cnccc1N(C)C 1148051437 JNLXMCNVAOVNGD-UHFFFAOYSA-N 305.382 -0.231 30 20 DBED C=CCCOCC(=O)NCCNCC(=O)N1CCO[C@H](C)C1 1153091576 UOOOLSSOJJWSLL-CYBMUJFWSA-N 313.398 -0.468 30 20 DBED C#CCO[C@@H](C)C(=O)NCCCN[C@H]1CCN(CC=C)C1=O 1157874556 SSNXWNFTXLTPMB-KBPBESRZSA-N 307.394 -0.093 30 20 DBED C#CCN(C)C[C@H]1CCCCN1C(=O)C[C@@H]1NC(=O)NC1=O 1158076985 JHPYNWZGHWXUFX-NEPJUHHUSA-N 306.366 -0.469 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@H]1CCN(C)[C@@H](C)C1 1164574409 KNGOJOYBGRMUEN-KBPBESRZSA-N 308.426 -0.438 30 20 DBED C#CCCNCC1(CCNC(=O)CN2CC(=O)N(C)C2=O)CC1 1167720060 PMZXNDFCOPVFFB-UHFFFAOYSA-N 320.393 -0.220 30 20 DBED C=CCNC(=O)NC(=O)CNCCCNC(=O)c1oncc1C 1170037822 VNKBZRMPWCZXJE-UHFFFAOYSA-N 323.353 -0.296 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCCCNCC(=O)NCC 1170310587 KFDORSLTBMPYPE-ZDUSSCGKSA-N 324.425 -0.473 30 20 DBED Cc1nonc1C(=O)N[C@H](C)CCCCNCC(=O)NCC#N 1176848505 YRQQQXNYKQKKNA-SNVBAGLBSA-N 322.369 -0.104 30 20 DBED C=CCO[C@H](C)C(=O)NCCCNCC(=O)NC(=O)NC 1177269504 OSRVPTQATJKXRY-SNVBAGLBSA-N 300.359 -0.871 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)CCc2nc[nH]n2)[C@H]1C 1178435170 YOQHRGFXLACHSU-RYUDHWBXSA-N 320.397 -0.382 30 20 DBED CN(C)S(=O)(=O)NCC(=O)NCCCCCCNCC#N 1179703792 VBJGVKVUCBHFKB-UHFFFAOYSA-N 319.431 -0.828 30 20 DBED COC(=O)C1(C#N)CCN(C(=O)C2=NN(C)C(=O)CC2)CC1 1180444004 ZEAFQPWSZQUXTQ-UHFFFAOYSA-N 306.322 -0.100 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2cncnc2C)C1 1181207494 HNRQACDVDLZLMI-CHWSQXEVSA-N 315.377 -0.273 30 20 DBED C#CCCN[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 1182561496 LCFMGSRGXFIFQN-QWHCGFSZSA-N 315.377 -0.024 30 20 DBED CCC[C@@H](NC(N)=O)C(=O)N1CC[C@@H](NCC#CCOC)C1 1187428432 TYUWGCZTZUGXIZ-CHWSQXEVSA-N 310.398 -0.336 30 20 DBED C=CCOCCN[C@@H]1CCN(C(=O)c2cn(C)c(=O)n2C)C1 1188196083 KIXNRLLRWKBFNI-GFCCVEGCSA-N 308.382 -0.270 30 20 DBED CO[C@@H](C(=O)N1CC[C@H](N(C)CC(=O)NCC#N)C1)C1CC1 1189901674 JXVGNLBRKUBWCC-GXTWGEPZSA-N 308.382 -0.416 30 20 DBED CC#CCN(C)[C@H]1CCN(C(=O)[C@@H](C)NS(=O)(=O)CC)C1 1190277988 DEXPIGPHYGIOKG-OLZOCXBDSA-N 315.439 -0.130 30 20 DBED CCCN1CCC[C@H]1C(=O)N[C@@H]1CN(CC#CCOC)C[C@H]1O 1193506320 ONIVDZWQVYEPAS-OWCLPIDISA-N 323.437 -0.328 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCCN(C(=O)c2[nH]nnc2C)CC1 1196710388 CNXBXWDJVGLFNN-GFCCVEGCSA-N 318.381 -0.601 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCC(NCc2nnnn2C)CC1 1200324690 DKKHUZCYHZYDML-AWEZNQCLSA-N 308.386 -0.382 30 20 DBED C=CCOCCNC[C@H]1CN(C(=O)Cn2nccn2)CCCO1 1200596331 DGZDDXFNMOBJDL-AWEZNQCLSA-N 323.397 -0.312 30 20 DBED C#CCNC[C@H]1CN(C(=O)c2cnc3n2CCOC3)CCCO1 1200730355 UQJGHRGSCNMBIZ-ZDUSSCGKSA-N 318.377 -0.133 30 20 DBED C#CCNC[C@H]1CN(C(=O)[C@@H](CC(C)C)C(N)=O)CCCO1 1202249735 DPJAGBIHEOAVAD-KBPBESRZSA-N 309.410 -0.026 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)[C@H](OC)C(C)C)CC1 1202324514 UYSQHVFADDBOIX-OAHLLOKOSA-N 309.410 -0.013 30 20 DBED C=C(C)CNC1CCN(C(=O)[C@@H](CCC(N)=O)NC(C)=O)CC1 1202961638 OWNSDYSQZDBYGG-CQSZACIVSA-N 324.425 -0.087 30 20 DBED C#CCNC(=O)[C@H](C)NC1CCN(C(=O)[C@H]2CCN(C)C2)CC1 1203699350 IQHAHSMDJBSETM-KBPBESRZSA-N 320.437 -0.343 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)C2(COC)CC2)CC1 1205698668 RDZZTBVNNDFMDD-UHFFFAOYSA-N 321.421 -0.009 30 20 DBED Cc1cc(C(=O)N2CCC[C@@H](NCC(=O)NCC#N)C2)n(C)n1 1207546445 SRQKMHICFCSYEL-GFCCVEGCSA-N 318.381 -0.438 30 20 DBED COCC#CCN1C[C@@H](NC(=O)CN2CCCNC2=O)[C@H](C)C1 1207854297 DVQWBLRUCBCRSZ-ZIAGYGMSSA-N 322.409 -0.512 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC[C@@H](NCc2ncnn2C)C1 1208017666 DNFPHCAWSHTTTN-CHWSQXEVSA-N 305.382 -0.066 30 20 DBED C#CCCN[C@@H]1CCCN(C(=O)CNS(=O)(=O)CC)C1 1208274525 WYJKFZAMOPGMDR-GFCCVEGCSA-N 301.412 -0.470 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)COC[C@H](C)N1CCCC1 1213455831 POHPWBORAODJJJ-RRFJBIMHSA-N 324.425 -0.174 30 20 DBED CC#CCN[C@@H]1CN(C(=O)CN2CCN(C)C(=O)C2)C[C@H]1C 1215008498 QIGXKNQLJDRCKP-ZIAGYGMSSA-N 306.410 -0.780 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)[C@@H]2CCCN2C(N)=O)C[C@H]1C 1217031452 AFQNDAMMCFWBAH-MCIONIFRSA-N 322.409 -0.384 30 20 DBED CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)C#CC1CC1 1217835014 OFXQXOFVCNONHO-UONOGXRCSA-N 305.378 -0.553 30 20 DBED COCC(=O)N[C@@H]1CN(Cc2cc(C#N)ccc2OC)C[C@@H]1O 1219089617 MGDZLVMCQAJCML-KGLIPLIRSA-N 319.361 -0.125 30 20 DBED Cc1cc(CN2C[C@H](O)[C@H](NC(=O)CSCC#N)C2)on1 1219219776 MMGSEAKZSHCZNK-NEPJUHHUSA-N 310.379 -0.099 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@H](C)NC(=O)c2ccoc2)C1 1219686574 QINNXTSMXXSIDO-YUTCNCBUSA-N 319.361 -0.418 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)[C@H](CC)NC(C)=O)C1 1220401630 HOLGCSMSJLKFSL-MJBXVCDLSA-N 313.398 -0.735 30 20 DBED C[C@H](C#N)C(=O)NCC1CCN(CCN2CCNC2=O)CC1 1222657648 BKSPIKCIBYNXMA-GFCCVEGCSA-N 307.398 -0.001 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCCC[C@H]1NCc1nnn(C)n1 1226178293 KHEPQGFDNQIOML-CHWSQXEVSA-N 320.397 -0.233 30 20 DBED C#CCCN1CCC(NC(=O)c2nc(O)nc(O)c2N)CC1 1252481221 FAJDRCOBUPERPI-UHFFFAOYSA-N 305.338 -0.313 30 20 DBED COCCCN(CCOC)C(=O)C(=O)N1CC[C@](F)(C#N)C1 1261315063 PEOGWZUSXHOXQN-AWEZNQCLSA-N 315.345 -0.038 30 20 DBED C[C@@H]1CN(CC(=O)NCCC#N)CC[C@H]1N1CCN(C)CC1 1319855306 BPRCRJCTVXFGHH-HUUCEWRRSA-N 307.442 -0.026 30 20 DBED CC(C)N1CC[C@@H](NC(=O)C(=O)N2CC[C@](F)(C#N)C2)C1=O 1322791822 GRZYRGJKGVCUAZ-YGRLFVJLSA-N 310.329 -0.424 30 20 DBED C=CCN(C(=O)CO[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1323525685 JORAJXMSZOKMGS-NEPJUHHUSA-N 303.380 -0.006 30 20 DBED C=CCN(CC=C)C(=O)C(=O)NCCS(=O)(=O)NCC 1324447386 HYPIEMZCHFMGJT-UHFFFAOYSA-N 303.384 -0.758 30 20 DBED CCN(CC)[C@@H]1CCN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)C1 1326513844 XITDGFIJDZTZAG-CZUORRHYSA-N 322.409 -0.194 30 20 DBED C[C@@H]1CN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)CC(C)(C)O1 1327023736 KCSJOZMIIAMULT-IAQYHMDHSA-N 309.366 -0.111 30 20 DBED CC#CCN(C)C(=O)C(=O)N1CCN(c2nccnc2C)CC1 1348300108 OYEBTQBKJJGYDW-UHFFFAOYSA-N 315.377 -0.085 30 20 DBED CC(C)(C#N)CC(=O)N1CCC[C@H](CNS(N)(=O)=O)C1 1361654589 GWPFBULMAHKICZ-SNVBAGLBSA-N 302.400 -0.042 30 20 DBED C[C@H]1CN(C(=O)Cn2cc(C#N)c(O)nc2=O)CC(C)(C)O1 1361872367 UTNLFSRADHAXFD-VIFPVBQESA-N 306.322 -0.154 30 20 DBED N#Cc1cn(CCC(=O)N[C@H]2CCCC[C@@H]2O)c(=O)nc1O 1362708168 TZAIKAWCYCGCJB-QWRGUYRKSA-N 306.322 -0.370 30 20 DBED C[C@H](C(=O)N(C)C)S(=O)(=O)NCC1(C#N)CCOCC1 1364062232 NBASGYVNOJIODT-SNVBAGLBSA-N 303.384 -0.297 30 20 DBED Cc1nc(C#N)c(N2CCC(C(=O)N[C@@H]3COC[C@@H]3O)CC2)o1 1364388482 RKSUWIIKNNLNAQ-OLZOCXBDSA-N 320.349 -0.053 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](C)CNC(=O)C(C)(C)S(C)(=O)=O 1373127510 SRVJMTJPRCSPCM-DTWKUNHWSA-N 303.384 -0.410 30 20 DBED CCOCC(=O)N[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1O 1384196491 VRKVMULISGJKTN-NEPJUHHUSA-N 306.322 -0.776 30 20 DBED C=C(Cl)CN(C)C[C@H](C)NC(=O)c1cn(CC(N)=O)nn1 1392728934 OIQBVBGWOKGQGO-VIFPVBQESA-N 314.777 -0.434 30 20 DBED CCN1CCOC[C@@H]1C(=O)NCC1(NC(=O)[C@H](C)C#N)CC1 1393720039 XRIRLAVYEXADET-VXGBXAGGSA-N 308.382 -0.368 30 20 DBED Cc1nonc1CNCC1(O)CCN(C(=O)[C@@H](C)C#N)CC1 1408142212 HGDLWXKGIUJJEO-JTQLQIEISA-N 307.354 -0.019 30 20 DBED CCC[C@H]1CN(C(=O)Cn2cc(C#N)c(O)nc2=O)CCO1 1411935040 UCDYPGFBRQGHNK-NSHDSACASA-N 306.322 -0.152 30 20 DBED CCN(CCC#N)C(=O)CNC[C@H](C)NC(=O)c1cn(C)cn1 1420406307 RNADOICIHHZLAO-LBPRGKRZSA-N 320.397 -0.110 30 20 DBED N#Cc1cn(CC(=O)NCCN2CCCCCC2)c(=O)nc1O 1420847932 DHIYXZYNOPSNHD-UHFFFAOYSA-N 319.365 -0.187 30 20 DBED CCCN(C)CC(=O)N[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1OC 1426624397 QGPOTAVRFHXAND-JHJVBQTASA-N 310.398 -0.170 30 20 DBED Cn1c(=O)[nH]c(N[C@H]2COc3ccccc3[C@@H]2O)c(C#N)c1=O 1434443929 DUKWJHGKUJPZQA-JQWIXIFHSA-N 314.301 -0.148 30 20 DBED C[C@@H](O)CN1CCN(CCNC(=O)c2cc(C#N)c[nH]2)CC1 1436698414 MHVQPVIKASQASC-GFCCVEGCSA-N 305.382 -0.385 30 20 DBED CC(=O)NCC(=O)NC[C@@H]1CCCN1C(=O)c1cc(C#N)c[nH]1 1497014536 WEFGMUQSMJMRCY-LBPRGKRZSA-N 317.349 -0.257 30 20 DBED CC[C@@H](CNC(=O)CNC(=O)OC)NC(=O)c1cc(C#N)c[nH]1 1498942107 GTKYXTVTNIIIOX-JTQLQIEISA-N 321.337 -0.133 30 20 DBED CN1C(=O)CCC[C@H]1C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[nH]1 1570918332 CNDHCIPYGJQVCN-ZETCQYMHSA-N 315.297 -0.589 30 20 DBED C#CCO[C@@H](C)C(=O)NC1CCN(C(=O)CNC(=O)O)CC1 1573310694 BIRRPMBVUQZNHS-JTQLQIEISA-N 311.338 -0.601 30 20 DBED CCn1nc(C)c(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[nH]2)n1 1578805889 OSEZKQIYYQCVLE-UHFFFAOYSA-N 313.285 -0.366 30 20 DBED CN(CC1(O)CCOCC1)c1cnc(C#N)c(-c2nn[nH]n2)n1 1579063729 KFWTUHLCUVSOQK-UHFFFAOYSA-N 316.325 -0.494 30 20 DBED C#CCN(CC(=O)O)C(=O)Cc1cccc(OCC(=O)NC)c1 1588407245 JLLHULVNGUXYDJ-UHFFFAOYSA-N 318.329 -0.100 30 20 DBED CC1=NNC(=O)[C@H]1Sc1nc(N)c(-c2nn[nH]n2)cc1C#N 1590160509 FNPIXZBPXXMRDC-ZETCQYMHSA-N 315.322 -0.318 30 20 DBED N#Cc1cncn(CC(=O)Nc2cccc(-c3nn[nH]n3)c2)c1=O 1592704060 QPPFPDQOIDISKQ-UHFFFAOYSA-N 322.288 -0.066 30 20 DBED N#Cc1ccc([C@@H](C(=O)O)N2CCC(O)(C(N)=O)CC2)cc1 1601094776 WJEUKGZUNYJLIB-LBPRGKRZSA-N 303.318 -0.004 30 20 DBED C=CCCC[C@H](NS(=O)(=O)N1CCO[C@H](C#N)C1)C(=O)O 1602869070 AHJZUYCODBSGLG-MNOVXSKESA-N 317.367 -0.145 30 20 DBED N#C[C@@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NOCCO 1606336815 ADCXELDYUWZBKV-LLVKDONJSA-N 302.294 -0.411 30 20 DBED N#Cc1ncc(NC[C@H]2C[C@@H]3COC[C@@H]3O2)nc1-c1nn[nH]n1 1606398259 SXJZDJPMGSMZFM-MRTMQBJTSA-N 314.309 -0.256 30 20 DBED N#CC[C@]1(O)CCN(S(=O)(=O)N2CCC(C(=O)O)CC2)C1 1608180978 BZVCGWWAWSKCLV-LBPRGKRZSA-N 317.367 -0.622 30 20 DBED COC(=O)CN(C)CCNC(=O)CNc1ccc(C#N)cn1 1647125024 CMDPCEVIFLOHPY-UHFFFAOYSA-N 305.338 -0.414 30 20 DBED COCC#CCN1CC[C@H](NC(=O)C[C@@H]2CCCC(=O)N2)C1 1690097743 SCFNOOOIZOPCRQ-KBPBESRZSA-N 307.394 -0.115 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)C2(F)CCOCC2)C1 1732154067 FJITXGJRRIYYLJ-GFCCVEGCSA-N 313.373 -0.002 30 20 DBED C[C@@H]1C[C@H]1C(=O)N1CC(CCO)(NC(=O)CSCC#N)C1 1734813709 DMSGXSHISPVOAO-GHMZBOCLSA-N 311.407 -0.021 30 20 DBED N#CCNC(=O)CN1CCCC[C@@H]1CNC(=O)[C@@H]1[C@H]2COC[C@H]21 1752821350 ZFFUNCZFYPWZHO-CXTNEJHOSA-N 320.393 -0.511 30 20 DBED C=CCn1cc(C(=O)NC[C@@H](C)NCc2n[nH]c(C)n2)nn1 1752903538 QJWMQHNMWHIGCI-SECBINFHSA-N 304.358 -0.201 30 20 DBED C=CCNC(=O)CN1CC[C@@H](N(C)C(=O)[C@H]2CCCC(=O)N2)C1 1753439984 RXXZQMSKFZRSBN-CHWSQXEVSA-N 322.409 -0.510 30 20 DBED N#CCNCC[C@H]1CCCN(C(=O)Cn2cnc(C(N)=O)n2)C1 1753549340 UUHDTFLWQIHQJK-LLVKDONJSA-N 319.369 -0.881 30 20 DBED Cc1n[nH]cc1C(=O)N[C@H]1CC[C@H](NCC(=O)NCC#N)CC1 1753583301 FSAHENQDPFHKEO-HAQNSBGRSA-N 318.381 -0.012 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@@H](C)CNC(=O)c1cc(C)ncn1 1753609861 LRGZKVQSQUVGQK-DGCLKSJQSA-N 317.393 -0.122 30 20 DBED C=CCNC(=O)CN1CCO[C@H](CNC(=O)Cc2cc[nH]n2)C1 1753659631 YKMCJRONEMQYRM-CYBMUJFWSA-N 321.381 -0.929 30 20 DBED C=C(C)CCNC[C@@H](C)N(C)C(=O)CN1C(=O)C(=O)N(C)C1=O 1753725772 JRQFIVQCZHUWBX-LLVKDONJSA-N 324.381 -0.190 30 20 DBED C=CCNC(=O)CNC[C@H](O)CNC(=O)C1(C)CCOCC1 1753930550 JQQLLDKULXVTQR-LBPRGKRZSA-N 313.398 -0.828 30 20 DBED C#CCNC(=O)CN(C)C[C@@H](C)NC(=O)C[C@H]1CCCC(=O)N1 1754316579 WESZDQLXLCKYII-CHWSQXEVSA-N 322.409 -0.769 30 20 DBED C=CCOCCN(C)C[C@H](C)NC(=O)c1cn(C)c(=O)n1C 1754337730 ZICXTHVMSDMHGX-LBPRGKRZSA-N 310.398 -0.024 30 20 DBED CN(CCCNCC(=O)NC(=O)NC1CC1)C(=O)C#CC1CC1 1754369884 GMQIEFGTPSPWBW-UHFFFAOYSA-N 320.393 -0.174 30 20 DBED COCC#CCNC[C@H](NC(=O)[C@H](C)S(C)(=O)=O)C1CC1 1754443915 AYORGJKUPPDKMC-AAEUAGOBSA-N 316.423 -0.446 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@]1(O)CCN(CCn2cccn2)C1 1754748127 FOKYQQFJXVXSHI-HZPDHXFCSA-N 322.409 -0.237 30 20 DBED CC#CCNC[C@H]1CN(C(=O)CCNS(C)(=O)=O)C[C@H]1C 1754819976 ZSOKREIYMBAAEG-OLZOCXBDSA-N 315.439 -0.367 30 20 DBED C#CCNC(=O)CNCCN(CCO)C(=O)[C@@]12CCCC[C@@H]1C2 1754891129 KIMBUVOIJBEQLI-RHSMWYFYSA-N 321.421 -0.273 30 20 DBED C#CCNC(=O)CN1CCOC[C@H]1CNC(=O)c1cncs1 1754963393 GRXFXWHBXFICGD-LLVKDONJSA-N 322.390 -0.677 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)CCO1 1755007780 BRVWEYQSZSFOTN-HZSPNIEDSA-N 307.394 -0.272 30 20 DBED Cc1ccc(C(=O)N2C[C@@H](C)[C@@H](NCC(=O)NCC#N)C2)nn1 1755109686 XOAVJUQSKABHKK-MFKMUULPSA-N 316.365 -0.525 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H](C)CCNC(=O)[C@H]1CCC(=O)N1 1755168948 VEZPHSHFBVEXGJ-QJPTWQEYSA-N 310.398 -0.560 30 20 DBED C=C1CC(C)(C(=O)NC2(CCO)CN([C@H]3CCNC3=O)C2)C1 1755336499 WCGUMPNKSQZFIZ-LBPRGKRZSA-N 307.394 -0.216 30 20 DBED N#CCNC(=O)CNC[C@H]1C[C@H](NC(=O)c2csc(O)n2)C1 1755475991 HGTHPQWRBYXFJF-KYZUINATSA-N 323.378 -0.414 30 20 DBED CCS(=O)(=O)N(C)CC(=O)N1C[C@H](NCC#N)C(C)(C)C1 1755763852 WBJQKDMVQXHWAU-NSHDSACASA-N 316.427 -0.382 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@@H](O)CN(C)C(=O)c1ccsc1 1755771753 RSJUOGGZJOXOJN-WCQYABFASA-N 323.418 -0.092 30 20 DBED COCC#CCNC[C@H](O)CN(C)C(=O)c1ccc(C#N)[nH]1 1755778832 XXVQBZHLNYBPRZ-ZDUSSCGKSA-N 304.350 -0.441 30 20 DBED N#CCSCC(=O)N1CC(CCO)(NC(=O)C#CC2CC2)C1 1756082124 QMOASHDQDQIJNS-UHFFFAOYSA-N 321.402 -0.264 30 20 DBED C=C1CC(C)(C(=O)N[C@@H](CO)CNC(=O)c2ccnn2C)C1 1756507364 AUJBBBHIIBPWBT-LLVKDONJSA-N 306.366 -0.017 30 20 DBED C#CCC1(C(=O)N2C[C@H](O)[C@H](NC(=O)c3nc[nH]n3)C2)CCC1 1757199711 AQWJSRCFIWZZNT-MNOVXSKESA-N 317.349 -0.700 30 20 DBED CC(C)C#CC(=O)N(C)C[C@H]1CCN1C(=O)[C@@H]1CN(C)C(=O)N1 1757289945 MVDHBCANJCSKSL-OLZOCXBDSA-N 320.393 -0.271 30 20 DBED C[C@H](C#N)CN(C)c1nnc(CCN(C)S(N)(=O)=O)n1C 1772362419 BSCOYDRREUWIIB-SECBINFHSA-N 315.403 -0.911 30 20 DBED N#CCCC(=O)N1CCO[C@]2(CCN(C(=O)CCC(N)=O)C2)C1 1783149444 YKHOCKBDKFXBHM-HNNXBMFYSA-N 322.365 -0.614 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1csnn1)C2 1800451072 VOUKXFQXBUMMEY-BZBKMWRSSA-N 306.347 -0.626 30 20 DBED C=CCNC(=O)CN1CCN([C@H](C)C(=O)N2CCCC2)CC1 53423396 OXRMRHLBAYABFZ-CQSZACIVSA-N 308.426 -0.083 30 20 DBED CCOC(=O)c1cnn(C)c1NC(=O)CN1CCO[C@H](C#N)C1 67118240 MHIDBANUIOEVNM-SNVBAGLBSA-N 321.337 -0.240 30 20 DBED C#CCSCCNC(=O)N1CCN(CC(=O)NCC)CC1 154792097 ZKEGPBYHJKYJHI-UHFFFAOYSA-N 312.439 -0.184 30 20 DBED C#CCOCCC(=O)N(C)C1CCN(S(C)(=O)=O)CC1 156609965 QSLZDFDGTIJYSZ-UHFFFAOYSA-N 302.396 -0.091 30 20 DBED C#Cc1cccc(NC(=O)CN/C(=N/C)NCC(=O)N(C)C)c1 262241921 OUSRGHIJDBAUBZ-UHFFFAOYSA-N 315.377 -0.140 30 20 DBED Cn1cc(CC/N=C(\N)N2CCN(c3ncccn3)CC2)cn1 264113658 RWMOYUHJVMKPAM-UHFFFAOYSA-N 314.397 -0.111 30 20 DBED CN1CCO[C@H](C(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1 266837988 OGGLPPDDVGNJFR-AWEZNQCLSA-N 315.377 -0.068 30 20 DBED C#CCNC(=O)CN1CCCN(c2ncc([N+](=O)[O-])cn2)CC1 273617018 NQGZPYSEQBXEED-UHFFFAOYSA-N 318.337 -0.354 30 20 DBED C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NCCn1cnc(C#N)n1 287130455 QURRIWGNWBZNDW-PWSUYJOCSA-N 303.370 -0.068 30 20 DBED C=C[C@@H](CO)NC(=O)NCC(=O)N(C)CCc1ccccn1 290858445 BEXUZGMYSJOQAV-LBPRGKRZSA-N 306.366 -0.071 30 20 DBED C[C@H](C/N=C(/O)N[C@@H]1CC(=O)N(C)C1)CN1CCN(C)CC1 329942460 VOEQJSTZHVVVBV-CHWSQXEVSA-N 311.430 -0.396 30 20 DBED CCN(CC(=O)N/C(O)=N/[C@H]1CCS(=O)(=O)C1)C(C)C 330447319 FPRNWPSCSVAKSB-JTQLQIEISA-N 305.400 -0.066 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C)c2nc(C)no2)C1=O 338116116 SMUMQOKKBTYHNI-ZETCQYMHSA-N 321.293 -0.468 30 20 DBED N#Cc1ccc(CNC(=O)Cn2cc(S(N)(=O)=O)cn2)cc1 338790096 NUNJQGLKOJKEEU-UHFFFAOYSA-N 319.346 -0.281 30 20 DBED C[C@H](NC(=O)C(=O)N1CCC(C#N)CC1)[C@H](C)N1CCOCC1 343336580 OWVBIMUKUFRRMX-STQMWFEESA-N 322.409 -0.026 30 20 DBED COC(=O)CN(CC#N)CCNS(=O)(=O)c1ccccc1 348484695 MLIPTTONXFXYQD-UHFFFAOYSA-N 311.363 -0.037 30 20 DBED C[C@@H]1COCC[C@H]1CNS(=O)(=O)N1CCO[C@H](C#N)C1 352346049 PYULIKOIRJOLAO-GRYCIOLGSA-N 303.384 -0.282 30 20 DBED C=CCN(CC=C)C(=O)[C@@H](C)N1CCN2C(=O)NC(=O)[C@H]2C1 352780081 ROMZSIROAIMCQQ-VXGBXAGGSA-N 306.366 -0.189 30 20 DBED C=CCN(C[C@](C)(O)C(=O)OCC)[C@H]1CCS(=O)(=O)C1 355073433 GQDYZFLSLRVFAY-AAEUAGOBSA-N 305.396 -0.024 30 20 DBED Cc1[nH]nc(NC(=O)CNS(=O)(=O)c2cccnc2)c1C#N 356159436 CBRADLXNVVBKTF-UHFFFAOYSA-N 320.334 -0.098 30 20 DBED CCN(C(=O)NCC(=O)NCC#N)[C@@H](C)CS(=O)(=O)CC 358289229 GNHDDBMZPJBETK-JTQLQIEISA-N 318.399 -0.519 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1CCN([C@H]2CCC[C@@H]2O)CC1 369259130 NHEHYXQDRTXLCI-IHRRRGAJSA-N 324.425 -0.082 30 20 DBED C[C@@H](CNC(=O)N1CCO[C@@H](C#N)C1)CN1CCN(C)CC1 408253112 DZCLSLDFLKFZDL-KBPBESRZSA-N 309.414 -0.196 30 20 DBED C[C@H](C#N)CN(C)C(=O)C(=O)N1CCN(CC(C)(C)O)C[C@@H]1C 410939061 QOUDRWNDCWQFJX-OLZOCXBDSA-N 324.425 -0.092 30 20 DBED COC(=O)[C@@H]1CN(C)CCN(S(=O)(=O)N(C)CCC#N)C1 416575103 AGQFFBVCMZLCCD-LLVKDONJSA-N 318.399 -0.887 30 20 DBED CC[C@H](CC#N)NS(=O)(=O)CCCS(=O)(=O)N(C)C 447760288 YYUMHGOCTFYIBP-SNVBAGLBSA-N 311.429 -0.120 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C 491266840 QXQLVGYEHBXNJT-CHWSQXEVSA-N 305.378 -0.299 30 20 DBED C#CCNC(=O)CN1CCN(CCO[C@@H]2CCCCO2)CC1 491325341 BSPQAYQFXXDCJA-MRXNPFEDSA-N 309.410 -0.103 30 20 DBED C#CCN(C)CCCNC(=O)N1CCN(CC(=O)NCC)CC1 491789437 UVYDIPMPPIBZFC-UHFFFAOYSA-N 323.441 -0.595 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(S(=O)(=O)NC)CC1 568401235 HVNXBOPTQGLZFF-MNOVXSKESA-N 303.384 -0.814 30 20 DBED CNC(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(C#N)n2)C1 574808721 JIMGBGKTSRWPPJ-SNVBAGLBSA-N 315.333 -0.124 30 20 DBED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCC[C@@H](O)C2)c1 593900621 QXDIXTKXZIFYLQ-GFCCVEGCSA-N 323.374 -0.180 30 20 DBED C=CCNC(=O)CNC(=O)Nc1ccn(CC(=O)OCC)n1 594181346 VJSVNFJBIFRPCK-UHFFFAOYSA-N 309.326 -0.130 30 20 DBED C[C@H](O)C[C@H]1CCCN1C(=O)C(=O)N1CCN(CCC#N)CC1 601460899 QQNMKHGQAWLBFN-UONOGXRCSA-N 322.409 -0.194 30 20 DBED C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N1CC[C@](F)(C#N)C1 615646244 NLYODXXKNLXCBQ-WZRBSPASSA-N 317.386 -0.042 30 20 DBED CC#CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(C(N)=O)c(F)c1 646953769 FHSMSUGZEXQIAQ-JTQLQIEISA-N 321.308 -0.246 30 20 DBED CC#CC[C@@H](CO)NC(=O)[C@H](C(C)C)N1CCCS1(=O)=O 649184083 CCTNJFAQQAYGIO-STQMWFEESA-N 316.423 -0.063 30 20 DBED COCC#CCN1CCN(CC#CCOC)[C@H](C(=O)N(C)C)C1 677818873 KMCPQIIAJSFKCM-INIZCTEOSA-N 321.421 -0.640 30 20 DBED C[C@@H](OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)O 737708828 XNLDYTDENIMTTD-MRVPVSSYSA-N 312.303 -0.147 30 20 DBED CC#CC[C@@H](NS(=O)(=O)N(C)C1CCOCC1)C(=O)O 776587063 HUSFLMDYSRGNGU-LLVKDONJSA-N 304.368 -0.202 30 20 DBED CC[C@](C)(C#N)C(=O)NCCS(=O)(=O)N1CCOCC1 795867125 KCJVLKLORJSCPR-GFCCVEGCSA-N 303.384 -0.296 30 20 DBED CNC(=O)[C@@H](O)CNS(=O)(=O)c1ccc(F)cc1C#N 809838171 RPTXHBMVGWTQKL-VIFPVBQESA-N 301.299 -0.917 30 20 DBED C[C@H](C#N)CNC(=O)CNC(=O)c1ccc(-c2nn[nH]n2)cc1 819845488 VQVQEIHGGHPAKX-SECBINFHSA-N 313.321 -0.128 30 20 DBED CCOC(=O)C1(O)CCN(C(=O)[C@@](C)(C#N)CC(=O)O)CC1 820364599 PHRRTDNEWCHQNN-CYBMUJFWSA-N 312.322 -0.092 30 20 DBED CN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)Cn1cnc(C#N)n1 821608542 LPOAYCBOXCUEKO-UHFFFAOYSA-N 323.320 -0.012 30 20 DBED C#CCN1CCN(C(=O)CN2C[C@H](C)O[C@H](C(=O)OC)C2)CC1 844418562 JYCPXDNARVBQHB-KBPBESRZSA-N 323.393 -0.974 30 20 DBED C#Cc1cccc(NC(=O)CNC(=O)[C@@H]2CCS(=O)(=O)N2)c1 845242425 QXRCOMSDLQPHGS-LBPRGKRZSA-N 321.358 -0.586 30 20 DBED C#CCNS(=O)(=O)N1CCN(Cc2cnn(CC)c2)CC1 851873106 QGHKTVPRLBELHX-UHFFFAOYSA-N 311.411 -0.512 30 20 DBED C#CC[C@H](NC(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1)C(=O)OC 861950194 BUNTXEGKGVOZEA-JQWIXIFHSA-N 318.333 -0.546 30 20 DBED C#CCNC(=O)C1CCN(C(=O)/C=C/CN2CCOCC2)CC1 865061766 JFQSGOJANVDRLG-ONEGZZNKSA-N 319.405 -0.137 30 20 DBED C#CC[C@H](CCOC)NC(=O)N1CCO[C@@H](CNC(C)=O)C1 875920232 YIRGHOMFRLKESY-KGLIPLIRSA-N 311.382 -0.039 30 20 DBED CC(C)[C@H](C#N)N1CCN(C(=O)[C@@H]2OCCN(C)C2=O)CC1 900480378 NMUIEGPSZZWVTC-QWHCGFSZSA-N 308.382 -0.464 30 20 DBED C[C@@H]1CN(CC#N)CC[C@H]1NC(=O)c1cn(C)c(=O)nc1O 944906355 HQNQPZQUBXUPJG-MWLCHTKSSA-N 305.338 -0.550 30 20 DBED C[C@H](C#N)C(=O)N1CCOC2(CCN([C@H]3CCNC3=O)CC2)C1 949054348 YKUUGOWCOCSRIK-OLZOCXBDSA-N 320.393 -0.272 30 20 DBED Cn1cc(C(=O)N2CC[C@@H]2CNC(=O)c2cc(C#N)c[nH]2)nn1 949283385 MKZVRMRGUQZAQZ-SNVBAGLBSA-N 313.321 -0.341 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)N(C(=O)C(N)=O)C3)c1 957959181 JBAVWAJXGNDHCD-LSJOCFKGSA-N 315.333 -0.519 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2cnn3c2OCCC3)C1 958220159 UKBAGNIANYDTSZ-DGCLKSJQSA-N 304.350 -0.679 30 20 DBED C=CCCN1C[C@H](CNC(=O)c2cc(C(N)=O)cn2C)[C@@H](O)C1 958220311 WNUHLYUTQSTJEY-JSGCOSHPSA-N 320.393 -0.277 30 20 DBED C=CCCN1C[C@@H](O)[C@H](CNC(=O)C2CC(=O)NC(=O)C2)C1 958477206 WEAGMIQUKUNMQA-VXGBXAGGSA-N 309.366 -0.976 30 20 DBED CC(=O)NCc1ccc(C(=O)NC[C@@H]2CN(CC#N)C[C@@H]2O)o1 958485930 SSFKGFWSFAVNNE-YPMHNXCESA-N 320.349 -0.538 30 20 DBED N#CCN1C[C@@H](O)[C@H](CNC(=O)c2noc3c2COCC3)C1 958725029 UZWRTJMODSDJNI-MWLCHTKSSA-N 306.322 -0.707 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1CNC(=O)c1nnn(C)n1 959466321 FATHKXNLIOEJIO-ZYHUDNBSSA-N 316.365 -0.552 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H]2CN(C(=O)c3cnn(C)c3)C[C@@H]21 960879699 FTVQAKPICKHANV-KGYLQXTDSA-N 317.349 -0.368 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CN(C(=O)CS(C)(=O)=O)C[C@H]2C1 961127465 IKMOVPYNYRJCNG-MXWKQRLJSA-N 313.379 -0.893 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H]2CN(C(=O)[C@@H]3CNC(=O)N3)C[C@H]2C1 962053238 BYAFTCUBGSZMIX-TUAOUCFPSA-N 320.393 -0.203 30 20 DBED C=C(C)CCN1C[C@H]2C(NC(=O)CN3C(=O)CNC3=O)[C@@H]2C1 962487707 ZYYIUYOUJNJUCI-GHMZBOCLSA-N 306.366 -0.449 30 20 DBED CCCc1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)n[nH]1 969454692 AYSOFCDXCKZTHG-BIMULSAOSA-N 319.365 -0.177 30 20 DBED CC#CCN1CC([C@@H](C)NC(=O)[C@@H]2CN(C(C)=O)CCO2)C1 970826248 QCHLBQQXOZTCBP-DOMZBBRYSA-N 307.394 -0.307 30 20 DBED C#CCCN1C[C@H]2CC[C@H]1CN2C(=O)CC[C@H]1NC(=O)NC1=O 972091656 PSSOANCBBMAKPX-YNEHKIRRSA-N 318.377 -0.327 30 20 DBED C=CCCN1C[C@@H](NC(=O)Cn2ncn(C)c2=O)C(C)(C)C1 974764357 VFTRHGXXYNUJAD-GFCCVEGCSA-N 307.398 -0.016 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)[C@@H]3CCCN3C(N)=O)[C@H]2C1 976776016 IMAXVKAJRTYDEY-GCHJQGSQSA-N 319.365 -0.738 30 20 DBED C#Cc1cncc(C(=O)N(C)C[C@H]2CCN2C(=O)CC(N)=O)c1 978362214 RCLHBCNXASOKNT-CYBMUJFWSA-N 314.345 -0.389 30 20 DBED C#CCCN1C[C@@H]2C(CNC(=O)c3nccnc3C(N)=O)[C@H]2C1 979064930 VRYCZDMBRJUKQX-VXGBXAGGSA-N 313.361 -0.494 30 20 DBED C=C(C)CN[C@@H]1CCC[C@H](NC(=O)c2cn(CC(N)=O)nn2)C1 981541360 KFRUICCVMQKPMM-NEPJUHHUSA-N 320.397 -0.030 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](NC(=O)C(N)=O)[C@H]1CC 985371810 JQXAALMFMWLAMA-XQHKEYJVSA-N 323.393 -0.051 30 20 DBED CC[C@@H]1[C@@H](NC(=O)Cn2cncn2)CCN1C(=O)[C@@H](C)C#N 985525535 UNHKENTWOXWBBC-SDDRHHMPSA-N 304.354 -0.067 30 20 DBED C#CCN1CCN(C(=O)N2CCN(C(=O)C(F)F)CC2)CC1 985823818 ZDTOYCDLRNWRHC-UHFFFAOYSA-N 314.336 -0.234 30 20 DBED C[C@@H]1[C@@H](NC(=O)[C@@H]2CN(C)C(=O)N2)CCN1C(=O)C#CC1CC1 989239865 MRRYPDKBLFHQFL-WXHSDQCUSA-N 318.377 -0.471 30 20 DBED C=CCNC1CC(N(C)C(=O)c2cn(CC(=O)N(C)C)nn2)C1 999877118 GRFWLTZJNXKTHV-UHFFFAOYSA-N 320.397 -0.255 30 20 DBED O=C(NCC1CN(C(=O)C#CC2CC2)C1)c1ccc(O)nn1 1000816042 CMVNEPFMVDUJBM-UHFFFAOYSA-N 300.318 -0.216 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(CNC(=O)c2cnn[nH]2)C1 1003121849 YNQYGCWBILGHTC-AAEUAGOBSA-N 319.365 -0.026 30 20 DBED C[C@@H](C#N)C(=O)N1CC(CNC(=O)c2cc(C(N)=O)cn2C)C1 1003400915 XXHWTGQGAMKAJT-VIFPVBQESA-N 317.349 -0.528 30 20 DBED C=CCCn1cc(C(=O)N[C@@H]2CCCN(CC(N)=O)C2)nn1 1008815326 PFBZWCAFVLYSBC-LLVKDONJSA-N 306.370 -0.466 30 20 DBED CS(=O)(=O)CCN1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 1010455760 BCGMTZVKQZEOQD-LLVKDONJSA-N 310.379 -0.265 30 20 DBED C[C@@H](C#N)C(=O)N1CCCC2(C1)CN(C(=O)[C@@H]1CCNC1=O)C2 1010769633 HYGIPFAPTOBUBI-NWDGAFQWSA-N 318.377 -0.267 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@]2(NC(=O)Cn3cnnn3)CCC[C@H]12 1014166773 OCIFBAOJTLXSEQ-SUNKGSAMSA-N 317.353 -0.527 30 20 DBED N#CCN1CCC2(CC1)C[C@@H]2NC(=O)[C@H]1CCS(=O)(=O)C1 1016716534 VTYNTIGWHDUYKF-RYUDHWBXSA-N 311.407 -0.085 30 20 DBED C#Cc1ccc(C(=O)N2C[C@H](NC(=O)C(N)=O)CC[C@H]2C)nc1 1018375737 PUAXNKWJBFCIFG-ZYHUDNBSSA-N 314.345 -0.343 30 20 DBED CN1CC[C@@H](C(=O)NC[C@H]2CCCN(CC#N)C2)S1(=O)=O 1023644415 LODWYIIBFUXHLE-NEPJUHHUSA-N 314.411 -0.628 30 20 DBED N#CCN[C@@H]1CC[C@@H]2CN(C(=O)c3nccnc3C(N)=O)C[C@@H]21 1026416639 XORBEWGIHULLGY-OUAUKWLOSA-N 314.349 -0.461 30 20 DBED C=C(C)CN(C)[C@@H]1CCCN(C(=O)Cn2cnc(C(N)=O)n2)C1 1027419303 OSRILGQENDWEMY-GFCCVEGCSA-N 320.397 -0.124 30 20 DBED C#CCCN1CC(NC(=O)c2ccccc2OCC(N)=O)C1 1030644409 UVMWIRJXXSLMAA-UHFFFAOYSA-N 301.346 -0.012 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)[C@@H]2CCc3nc(C)nn3C2)C1 1035453986 HQIUOKWPKOAECK-KGLIPLIRSA-N 317.393 -0.401 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)[C@@H]2CCc3nnnn3CC2)C1 1035512040 FRKWJXXEBGNAGA-OLZOCXBDSA-N 318.381 -0.924 30 20 DBED CCCN1C[C@H](C(=O)NC[C@H]2CN(CC#N)CCO2)CC1=O 1035523456 SZCDMNPIUQTTMH-OLZOCXBDSA-N 308.382 -0.415 30 20 DBED C=CCCN1CCO[C@H](CNC(=O)[C@@H]2CCCS2(=O)=O)C1 1035610003 KIOAOYNVGWRUMM-OLZOCXBDSA-N 316.423 -0.043 30 20 DBED N#Cc1cccc(CN2C[C@H]3C[C@H]2[C@H]3NC(=O)Cn2ncnn2)c1 1037410136 JBAWBJYFWYGEEE-YCPHGPKFSA-N 323.360 -0.066 30 20 DBED N#Cc1ccc(CN2C[C@H]3C[C@H]2[C@H]3NC(=O)C(N)=O)cc1F 1037564591 PJBYPPPEJAQVOR-WXHSDQCUSA-N 302.309 -0.128 30 20 DBED CCN(CC)CC(=O)NC[C@@]1(O)CCN(C(=O)C#CC2CC2)C1 1039784499 DHKCHHZYXFYXDJ-KRWDZBQOSA-N 321.421 -0.179 30 20 DBED C=CCOCC(=O)N1CC[C@](O)(CNC(=O)c2cc[nH]c2)C1 1040082542 ROFYKEYCQTWDPE-HNNXBMFYSA-N 307.350 -0.090 30 20 DBED Cc1n[nH]c(C)c1C(=O)NC[C@]1(O)CCN(C(=O)[C@@H](C)C#N)C1 1040538913 SDZPSLDJXMJATH-BJOHPYRUSA-N 319.365 -0.121 30 20 DBED N#Cc1cnc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCOC3)C2)c(F)c1 1040938189 DODIXRWZIPCUMC-RAIGVLPGSA-N 320.324 -0.205 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H]1CN(C(=O)CC(N)=O)CCCO1 1041486792 LEVXLSOKTMRKRM-LBPRGKRZSA-N 317.349 -0.720 30 20 DBED C#CCCN1CC[C@]2(CCN(C(=O)CN3C(=O)CNC3=O)C2)C1 1041819377 FVXZMWLQPPAGKM-INIZCTEOSA-N 318.377 -0.514 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)[C@@]2(F)CCOC2)C1 1042043772 UIFSPOVSWJFNMY-CQSZACIVSA-N 316.329 -0.993 30 20 DBED Cn1cnc(C(=O)N2CC[C@H]3CCN(CC#N)[C@H]3C2)cc1=O 1042099650 GUHROHWRFJTRHL-YPMHNXCESA-N 301.350 -0.160 30 20 DBED C=CCN1CC[C@H]2CCN(C(=O)Cn3nc(C)n(C)c3=O)C[C@H]21 1042333423 OOBOIDMGZRNGMM-UONOGXRCSA-N 319.409 -0.001 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)c2n[nH]cc2F)C1 1042939507 AQNAUMVYLUWAQX-UHFFFAOYSA-N 308.313 -0.489 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)[C@H](C)OCC)C1 1043036902 TVIBDORGNSHNON-RYUDHWBXSA-N 312.366 -0.861 30 20 DBED C=CCC(C)(C)C(=O)NCC1(O)CN(C(=O)Cn2nccn2)C1 1043061283 CUXXBQYYCNMBQM-UHFFFAOYSA-N 321.381 -0.430 30 20 DBED O=C(CCc1ccon1)NCC1(O)CN(C(=O)C#CC2CC2)C1 1043873000 PWGFLIYCMXIKCY-UHFFFAOYSA-N 317.345 -0.290 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)C[C@@H]2CCN(C)C2)C1 1044001727 SUWIAEODNIOHTM-ZDUSSCGKSA-N 309.410 -0.016 30 20 DBED C=C(Cl)CN1CC(N(C)C(=O)[C@@H]2CCN(C)S2(=O)=O)C1 1044037788 NLZVWFZIBQVOIE-NSHDSACASA-N 321.830 -0.085 30 20 DBED Cn1nnc(C(=O)NC[C@H]2C[C@@H](N=c3cc[nH]cc3C#N)C2)n1 1046534223 DTFMTQWWQHVRDI-JGZJWPJOSA-N 312.337 -0.481 30 20 DBED Cn1nnc(C(=O)NC[C@H]2C[C@@H](Nc3cncc(C#N)n3)C2)n1 1046535049 YPEQLVALHYDOJP-DTORHVGOSA-N 313.325 -0.508 30 20 DBED C=CCn1cccc1C(=O)N(C)[C@H]1CN(CC(N)=O)C[C@@H]1O 1047408766 ARBZMFXYYDVYAF-STQMWFEESA-N 306.366 -0.724 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCc3nn(C)cc32)C1 1047501955 YTHZICUTEUOLQR-KCXAZCMYSA-N 316.405 -0.023 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cnn3cc[nH]c23)C1 1047611046 LDTBFIDTYMZVKY-STQMWFEESA-N 301.350 -0.197 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1CNCc1nc(=O)n(C)[nH]1 1048252876 KQYIYYWJOPTITD-YPMHNXCESA-N 317.393 -0.294 30 20 DBED C[C@@H]1CCN(C(=O)C(N)=O)[C@H](CN=c2cc[nH]c(C#N)n2)C1 1048317642 XTPJELZHAUPUGB-ZJUUUORDSA-N 302.338 -0.706 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CC(=O)NCC)C1 1048715282 VFMSLMHWCKAJCU-STQMWFEESA-N 323.393 -0.654 30 20 DBED C=C[C@](C)(O)CC(=O)N(C)[C@H]1CN(C(=O)c2ccc[nH]2)C[C@@H]1O 1048757667 LTLXRGHDOYLQAS-XEZPLFJOSA-N 321.377 -0.015 30 20 DBED COCC1(CC(=O)N(C)[C@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)CC1 1048828391 NTDIUZLKFIPRPO-AVGNSLFASA-N 323.393 -0.007 30 20 DBED C=C(C)CCC(=O)N(C)[C@H]1CN(C(=O)CC(=O)NC)C[C@@H]1O 1048937943 ZNFGLORCLOVBHC-RYUDHWBXSA-N 311.382 -0.491 30 20 DBED C#Cc1ccc(C(=O)N2C[C@@H]3CN([C@H]4CCNC4=O)C[C@@H]3C2)nc1 1049177697 ISTPRINOUIHTHX-LZWOXQAQSA-N 324.384 -0.045 30 20 DBED C#CCCCC(=O)N[C@@H](C)[C@@H]1CCN(C(=O)c2nnn(C)n2)C1 1051342640 XCFPSRIJUQZJDQ-NWDGAFQWSA-N 318.381 -0.020 30 20 DBED C=CCN1CCC[C@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)CC1 1052945167 DLIRJBDSFZMZGQ-RYUDHWBXSA-N 301.412 -0.165 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)[C@@]1(C)CCC(=O)NC1)CCO2 1053389305 KGTRJZRLLJSUSA-INIZCTEOSA-N 319.405 -0.161 30 20 DBED C#CCN1CC2(C1)CN(C(=O)C(=O)N1CC[C@H](C)C1)CCO2 1053501902 DDFRYNDLGDJYHB-ZDUSSCGKSA-N 305.378 -0.599 30 20 DBED C#CCN1CC2(CC[C@@H](CNC(=O)c3ccc(O)nn3)O2)C1 1053566411 NUQYLVCBAYACMW-NSHDSACASA-N 302.334 -0.221 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)[C@H]3CCNC(=O)CC3)CO2)C1 1053882074 SFQTUMXMRGHTMZ-VXGBXAGGSA-N 306.366 -0.614 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)C[C@@H]3CCC(=O)N3C)CO2)C1 1053887850 SHZCVMPPYJXHHJ-KBPBESRZSA-N 319.405 -0.020 30 20 DBED CN1CC[C@@H](C(=O)N2CCN(c3nccnc3C#N)CC2)C1=O 1055973593 QKHYXMDGOWOEEQ-LLVKDONJSA-N 314.349 -0.525 30 20 DBED C#CCCCCCC(=O)N[C@]1(CO)CCCN(C(=O)C(N)=O)C1 1056037904 UAFRXZCSDTVNML-MRXNPFEDSA-N 323.393 -0.475 30 20 DBED C[C@@H](C#N)C(=O)N[C@@]1(CO)CCCN(C(=O)c2ncn(C)n2)C1 1056094256 RIYYBHHHHYHPIB-HZMBPMFUSA-N 320.353 -0.942 30 20 DBED N#Cc1ccc(N2C[C@@H]3C(NC(=O)Cn4cncn4)[C@H]3C2)nc1 1056219268 ZZGPSUCZCMRWHX-RYUDHWBXSA-N 309.333 -0.204 30 20 DBED N#CCSCC(=O)N1CC[C@H]2[C@H]1CCCN2C(=O)C(N)=O 1056537347 JIULBHSUSSEALQ-ZJUUUORDSA-N 310.379 -0.680 30 20 DBED CN(c1ccc(C#N)nn1)[C@@H]1CCN(C(=O)Cn2nccn2)C1 1056972646 NRBCXIVFODOHOH-GFCCVEGCSA-N 312.337 -0.323 30 20 DBED Cn1nncc1C(=O)N1CCCN(c2cncc(C#N)n2)CC1 1057137061 NORLJXALPCCIRG-UHFFFAOYSA-N 312.337 -0.171 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)[C@@H]1C[C@H]1C(=O)OC 1057177118 CVFDUBIBBHXWSY-VXGBXAGGSA-N 312.366 -0.301 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)[C@@H]1C[C@H]2C=C[C@H]1O2 1057945015 MNYJPZWJUJLJRI-RBSFLKMASA-N 320.389 -0.074 30 20 DBED CCn1nc(C)c(C(=O)N(CCO)CCNC(=O)[C@H](C)C#N)n1 1058010694 YLYZBSJYXPIZEC-SNVBAGLBSA-N 322.369 -0.683 30 20 DBED C=C(C)C(C)(C)C(=O)N(CCO)CCNC(=O)c1cnn[nH]1 1058289946 UXDQFDMNIQBYMC-UHFFFAOYSA-N 309.370 -0.042 30 20 DBED C[C@H](C(=O)N[C@@H]1CCN(c2ccnc(C#N)n2)C1)n1cncn1 1058318783 GFXJUBNDYCCIJD-GHMZBOCLSA-N 312.337 -0.104 30 20 DBED N#Cc1cnc(N2CC[C@H](NC(=O)C3CS(=O)(=O)C3)C2)cn1 1058456294 KUZSTXAMILDJOM-JTQLQIEISA-N 321.362 -0.912 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](CCNC(=O)C(N)=O)C1 1059725932 ZWIJEVVNNCDPFN-AGIUHOORSA-N 323.393 -0.192 30 20 DBED C[C@H](C#N)C(=O)NCc1ccccc1CN(C)C(=O)C(N)=O 1060522045 OAIIWQMIQGMFSG-SNVBAGLBSA-N 302.334 -0.094 30 20 DBED N#Cc1nccnc1N1CCC[C@@H]1CNC(=O)[C@H]1COC(=O)N1 1061353276 GGZBABSFFQNALY-MWLCHTKSSA-N 316.321 -0.458 30 20 DBED C=CCOCC(=O)NC[C@@H]1COCCN1C(=O)[C@H](C)OC 1061420592 AMYXFKBRDRXIRI-NWDGAFQWSA-N 300.355 -0.433 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H]1COCCN1C(=O)c1cocn1 1061584769 MPKHSXDNEHHWSI-NWDGAFQWSA-N 321.333 -0.330 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)C12CCN(CC1)C2 1061847524 LPKWKZJXRHWTLC-QWHCGFSZSA-N 320.393 -0.415 30 20 DBED N#Cc1nccc(N2C[C@@H]3C[C@H]2CN3C(=O)CCc2nc[nH]n2)n1 1062471972 SGZOIBYUEBXOCR-QWRGUYRKSA-N 324.348 -0.111 30 20 DBED CCn1nncc1C(=O)N[C@H]1[C@H]2C[C@H]1N(c1cncc(C#N)n1)C2 1064246280 LVWDBPPEAVUPFA-PXWWUCIGSA-N 324.348 -0.033 30 20 DBED N#Cc1ccc(N2[C@H]3CC[C@H]2CN(C(=O)CC(N)=O)CC3)nn1 1065139850 LDMCNLPZBGSDMJ-RYUDHWBXSA-N 314.349 -0.207 30 20 DBED N#CCSCC(=O)NC[C@@H]1CN(C(=O)c2cnn[nH]2)CCO1 1065328824 ZOPHBJGHGXTVLI-SECBINFHSA-N 324.366 -0.981 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H](NC(=O)C2(C(N)=O)CC2)CC1 1066461395 YWVJQIMGWRKMES-WDEREUQCSA-N 306.366 -0.091 30 20 DBED N#Cc1ccc(N2C[C@H](CNC(=O)c3cc[nH]c3)[C@@H](O)C2)nn1 1067696300 RTKONHKVNJPXNH-AAEUAGOBSA-N 312.333 -0.097 30 20 DBED C[C@H]1C[C@@H](CN=c2cc[nH]c(C#N)n2)CN1C(=O)c1cnn[nH]1 1068382591 AVVYUKULFOHPKX-UWVGGRQHSA-N 312.337 -0.149 30 20 DBED N#Cc1cncc(NC[C@H]2C[C@H](NC(=O)Cn3cncn3)C2)n1 1068490454 UGDRRLVPQWKOBJ-XYPYZODXSA-N 312.337 -0.053 30 20 DBED N#Cc1cnc(NC[C@H]2C[C@H](NC(=O)Cn3nccn3)C2)cn1 1068534880 JIWMGMLZDFDWAX-XYPYZODXSA-N 312.337 -0.053 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)c2cnn(C)c2)CCOCC1 1069979070 BYHQVSSZJRJHAS-NSHDSACASA-N 319.365 -0.025 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2nccn2CC)C[C@@H]1n1ccnn1 1070186574 DSRULOBHFGKMDR-OLZOCXBDSA-N 313.365 -0.217 30 20 DBED Cc1nc(O)[nH]c1C(=O)N1C[C@H](n2ccnn2)[C@H](NCC#N)C1 1070213019 DUTSWGWSIDHITR-ZJUUUORDSA-N 316.325 -0.806 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C[C@H]1c1cncn1C 1070679414 WUUUXBCHJPGYPE-SSZWKKLZSA-N 314.389 -0.170 30 20 DBED C=CCOCC(=O)N[C@@H]1CCCN(C(=O)Cc2n[nH]c(C)n2)C1 1070709105 RJZZJWYWYSNJRW-GFCCVEGCSA-N 321.381 -0.035 30 20 DBED C=CCOCC(=O)N1C[C@@H](NC(=O)c2cn(C)c(O)n2)[C@H](C)C1 1071811991 PCJIUPPOKLIUHS-GHMZBOCLSA-N 322.365 -0.095 30 20 DBED C[C@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1NC(=O)CSCC#N 1072011297 VPMORYASEXYFBM-VHSXEESVSA-N 322.394 -0.351 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)c2cnnc(O)c2)C[C@H]1C 1072305540 YSBPQAPEFOGTFG-ZYHUDNBSSA-N 320.349 -0.039 30 20 DBED N#CCN1CCC2(C1)CN(C(=O)[C@@]13C[C@H]4C[C@H](C(=O)N1)[C@H]3C4)C2 1072879053 KNMJKHZEIFERTA-JRATXPSKSA-N 314.389 -0.041 30 20 DBED C#CCCN1CCCO[C@@H](CNC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 1073769373 FTUCYQRXPNHOBZ-SOUVJXGZSA-N 321.421 -0.059 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CCN(C(=O)CNC(N)=O)C[C@H]1C 1073932378 FOIKARGNTBQNGT-VXGBXAGGSA-N 308.382 -0.333 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCC(O)(CNC(=O)CC)CC1 1074628044 XLDRLARKQWXOQL-AWEZNQCLSA-N 321.421 -0.036 30 20 DBED C[C@@H](CCNC(=O)CSCC#N)NC(=O)CCn1cncn1 1075676017 XYDDVSGXVICYTL-NSHDSACASA-N 324.410 -0.064 30 20 DBED C#CCCCC(=O)NCC[C@H](C)NC(=O)[C@H]1CN(C)C(=O)N1 1076303747 HZHIYBUNCULDTK-NWDGAFQWSA-N 308.382 -0.176 30 20 DBED C[C@@H](CCNC(=O)c1cn(C)nn1)NC(=O)c1cc(C#N)c[nH]1 1076365462 YVUNZVBWZZKSJW-VIFPVBQESA-N 315.337 -0.047 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)N2C(=O)CCC2=O)C1 1077087914 USBBNRKTODHRLF-JHJVBQTASA-N 323.393 -0.349 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)c2ccn(CCOC)n2)C1 1077360177 VMEPPLODCUUYRM-ZIAGYGMSSA-N 308.382 -0.120 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)c2ccc3nnn(C)c3c2)C1 1078088149 GICUKFMVLVVQBV-UKRRQHHQSA-N 313.361 -0.234 30 20 DBED Cn1cnn(CC(=O)N[C@@H]2C[C@@H](NCC#N)C23CCC3)c1=O 1078662668 BLZSCDPSUXIOED-GHMZBOCLSA-N 304.354 -0.878 30 20 DBED C#CCN[C@H]1C[C@@H](NC(=O)Cn2ncn(C)c2=O)C12CCC2 1078663229 JUQAUCQKLZTVKR-NWDGAFQWSA-N 303.366 -0.768 30 20 DBED C=CCOCC(=O)N(CC)C1CN(C(=O)C[C@H]2CCNC2=O)C1 1079491360 FLPICRITDQYPKG-GFCCVEGCSA-N 323.393 -0.226 30 20 DBED CCN(C(=O)C(C)(C)NC(=O)NC)C1CN(C(=O)[C@@H](C)C#N)C1 1079925721 QFIIAAKNICFWEW-JTQLQIEISA-N 323.397 -0.087 30 20 DBED C#CCCN1C[C@@H](NC(=O)[C@@H]2CN(C(C)=O)CCO2)[C@H](C)C1 1080873964 NFCDIAJUFLANOI-YUELXQCFSA-N 307.394 -0.307 30 20 DBED C[C@H](C#N)C(=O)NC1(CO)CCN(C(=O)c2cn(C)cn2)CC1 1080979792 AYCGSBDLFXXBFS-LLVKDONJSA-N 319.365 -0.337 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@@H]2CCN(C(=O)CC)C2)[C@H](OC)C1 1082308732 BHVPMONWJFCZLT-MGPQQGTHSA-N 307.394 -0.307 30 20 DBED CC#CCN1C[C@@H](NC(=O)[C@@H]2CCc3nncn3C2)[C@H](OC)C1 1082382131 QGBPIJYGBQKNEV-MGPQQGTHSA-N 317.393 -0.321 30 20 DBED C#CCN1C[C@@H](NC(=O)c2ccc(C(N)=O)cn2)[C@H](OC)C1 1082393844 GJMNOTZMGCKWGY-CHWSQXEVSA-N 302.334 -0.757 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H](C)CN1CCOCC1 1083275925 CSJLJFCSGBYXCQ-OWCLPIDISA-N 321.421 -0.501 30 20 DBED C=CCN1CC[C@H](N2C[C@H](O)[C@H](NC(=O)C3CC=CC3)C2)C1=O 1083380032 IUCBQIAWLRHWPV-ILXRZTDVSA-N 319.405 -0.099 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCCN2C(N)=O)C1 1084120183 OEEXKDOSAGNNTM-AGIUHOORSA-N 310.398 -0.343 30 20 DBED C[C@@H]1[C@@H](NC(=O)Cc2ccc(C(N)=O)nc2)CCN1CC#N 1088662769 YHUPVUMCMGLSTG-PWSUYJOCSA-N 301.350 -0.174 30 20 DBED CCN(c1ccnc(C#N)n1)[C@H](C)CNC(=O)[C@H]1C[C@H]1C(N)=O 1089752726 WBDUBSXWBPOGEL-MXWKQRLJSA-N 316.365 -0.199 30 20 DBED CCNC(=O)CC(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@H]1O 1090407385 XXMOECVSFLCPGA-DGCLKSJQSA-N 317.349 -0.855 30 20 DBED C[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1NC(=O)CCCC(N)=O 1090730970 MDWYWVKNVJGTNN-ZYHUDNBSSA-N 316.365 -0.055 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2ccc(N(C)C)nn2)[C@@H](O)C1 1090734378 LMOPCGBLFZXZFJ-YPMHNXCESA-N 303.366 -0.659 30 20 DBED C#CCN1CC[C@H](NC(=O)CN2CCCCCC2=O)[C@H](O)C1 1090788824 ARZHUALPTODUIM-UONOGXRCSA-N 307.394 -0.426 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CCN(c2nccn3nnnc23)[C@@H]1C 1091944418 ADDFSXLAQPMTNK-BBBLOLIVSA-N 300.326 -0.238 30 20 DBED N#Cc1cncc(N2CCN(C(=O)CCCC(N)=O)CC2)n1 1093161893 CMPYJHOFFHBYRJ-UHFFFAOYSA-N 302.338 -0.348 30 20 DBED N#Cc1nccnc1NCCNC(=O)CCn1cnccc1=O 1093837354 INEIHSUHPWCLKT-UHFFFAOYSA-N 313.321 -0.477 30 20 DBED N#Cc1cncc(NCCNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)n1 1094203076 KMNLRUXVAQKLCR-OLZOCXBDSA-N 316.365 -0.260 30 20 DBED C=C(C)CN1CC(n2cc(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])nn2)C1 1094290357 AZIOEYSSYDWIKJ-CHWSQXEVSA-N 320.353 -0.008 30 20 DBED N#Cc1c[nH]ccc1=NCCCNC(=O)[C@@H]1CCS(=O)(=O)C1 1094661795 HZQKCFRKWZRFEW-LLVKDONJSA-N 322.390 -0.272 30 20 DBED C[C@@]1(C(=O)NCCCNc2cncc(C#N)n2)CCNC1=O 1094781330 VOYYKRPCAVQUIB-AWEZNQCLSA-N 302.338 -0.207 30 20 DBED CN(CCCNC(=O)c1ncn(C)n1)c1cncc(C#N)n1 1095537524 UCLJHPMSHJWFOO-UHFFFAOYSA-N 300.326 -0.267 30 20 DBED CN(CCCNC(=O)[C@]1(C)CCNC1=O)c1cnc(C#N)cn1 1095736337 RKNQXXMBSRJJDF-HNNXBMFYSA-N 316.365 -0.183 30 20 DBED N#Cc1ccc(N2CCCC[C@H]2CNC(=O)CC(N)=O)nn1 1097401685 PPOLYYRMMCOXPW-NSHDSACASA-N 302.338 -0.301 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CCCNC1=O)N=c1cc[nH]c(C#N)n1 1098120992 RAJTZWHTCQLOFS-VHSXEESVSA-N 302.338 -0.787 30 20 DBED COCC(=O)N[C@@H](C)C(=O)NC[C@@H](C)Nc1nccnc1C#N 1098342187 NIGYEKGWUDCRKH-ZJUUUORDSA-N 320.353 -0.584 30 20 DBED COc1cnc(C(=O)NC[C@H](C)N=c2cc[nH]c(C#N)n2)nc1 1098407254 PYEMAUVLUNBDBT-VIFPVBQESA-N 313.321 -0.201 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)Cc2ccoc2)[C@@H](O)C1 1099785895 JTODSSQSASCCBG-KGLIPLIRSA-N 319.361 -0.877 30 20 DBED N#CCN1CC[C@H](NC(=O)CNC(=O)C2CCCC2)[C@H](O)C1 1099847450 MYLMODSJOCMMEW-QWHCGFSZSA-N 308.382 -0.632 30 20 DBED COc1cc(CCC(=O)N[C@@H]2CCN(CC#N)C[C@H]2O)on1 1099852837 FVWGMXURAGUVFG-VXGBXAGGSA-N 308.338 -0.309 30 20 DBED C#CCN1CC[C@@H](NC(=O)CCc2cc(OC)no2)[C@H](O)C1 1099853290 NRAVDOPTMDKRKR-CHWSQXEVSA-N 307.350 -0.200 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)CCC(F)F)[C@@H](O)C1 1099918552 NHOOGPHLQPTTNR-QWRGUYRKSA-N 319.352 -0.115 30 20 DBED CCN(CCNC(=O)C(=O)NCC1CC1)c1cncc(C#N)n1 1100595608 BTLWWDKEXTYYID-UHFFFAOYSA-N 316.365 -0.183 30 20 DBED C=CCOCCNC1CC(CNC(=O)CS(=O)(=O)NC)C1 1100995954 ITHCULYBQPFAAP-UHFFFAOYSA-N 319.427 -0.777 30 20 DBED C[C@@H]1CN(C)C[C@H]1C(=O)N(C)CCN=c1cc[nH]c(C#N)n1 1101970827 KXFLLKCYRLLCFW-VXGBXAGGSA-N 302.382 -0.162 30 20 DBED CN1C[C@@H](C(=O)N(C)CCN=c2cc[nH]c(C#N)n2)CC1=O 1102004706 ZUGBATQJALNARD-JTQLQIEISA-N 302.338 -0.881 30 20 DBED C[C@@H](CN=c1cc[nH]cc1C#N)CNC(=O)C[C@@H](C)NC(N)=O 1104099979 VGLDTUWIAIFEEG-WDEREUQCSA-N 318.381 -0.014 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)c1cncnc1O 1104118402 OQTGQARBSDTHOG-VIFPVBQESA-N 313.321 -0.256 30 20 DBED C[C@@H](CNc1cnc(C#N)cn1)N(C)C(=O)[C@H]1CNC(=O)N1 1104784635 IDKDRYSJZVKDSB-WCBMZHEXSA-N 303.326 -0.712 30 20 DBED CC(=O)N[C@H](C)C(=O)NC[C@@H](N=c1cc[nH]c(C#N)n1)C(C)C 1105112005 AOEVFPQORFMPDW-ZYHUDNBSSA-N 318.381 -0.153 30 20 DBED C[C@H](C(=O)N1CC(n2cc(CNCC#N)nn2)C1)n1cncn1 1105215739 GUAKFNFINKCVOG-SNVBAGLBSA-N 315.341 -0.873 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(n2cc(CNCCO)nn2)C1 1105223728 GWMJJAMXTASBNO-CQSZACIVSA-N 309.370 -0.930 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)[C@@H]2COCCO2)nc1 1105779528 DFJPYVJZZAGVSP-RYUDHWBXSA-N 306.322 -0.742 30 20 DBED Cc1cc(=NC[C@@H](O)CNC(=O)c2ncn(C)n2)c(C#N)c[nH]1 1105816009 OWXPVXJMZNAOOC-LLVKDONJSA-N 315.337 -0.985 30 20 DBED N#Cc1nc(=NC[C@@H](O)CNC(=O)c2ncccc2F)cc[nH]1 1105937511 NYTNUFWFHNJODX-SECBINFHSA-N 316.296 -0.493 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H](O)CNc1cnc(C#N)cn1 1105970586 JZDBKNLEFSYLBR-CMPLNLGQSA-N 303.322 -0.724 30 20 DBED C[C@@H](CC(N)=O)C(=O)NC[C@@H](O)CNc1ccc(C#N)nc1 1106059950 MDKBHSCOKAXKBD-CABZTGNLSA-N 305.338 -0.646 30 20 DBED CC[C@@H](NC(C)=O)C(=O)NC[C@@H](O)CNc1ccc(C#N)nn1 1106123994 VCDBIQFDDMGQHD-NWDGAFQWSA-N 320.353 -0.848 30 20 DBED C[C@@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)[C@@H]1CCC(=O)NC1 1106635537 USKZDBKROAYKFJ-WDEREUQCSA-N 316.365 -0.397 30 20 DBED N#CCN1CC(n2cc(CNC(=O)CC3(O)CCC3)nn2)C1 1107169559 NXWCTKDOZJEUBR-UHFFFAOYSA-N 304.354 -0.420 30 20 DBED C#CCCN1CC(n2cc(CNC(=O)Cc3ncc[nH]3)nn2)C1 1107221952 IBXVHCWDKKTOKW-UHFFFAOYSA-N 313.365 -0.260 30 20 DBED C=CCN1CC(n2cc(CNC(=O)COCCCOC)nn2)C1 1107227379 JMFJMMPNTVKHEW-UHFFFAOYSA-N 323.397 -0.010 30 20 DBED C=CCOCC(=O)NC[C@@]1(C)CN(CCOCCO)CCO1 1107811794 SARLFKDMVCLHBD-HNNXBMFYSA-N 316.398 -0.595 30 20 DBED COCC(=O)N(C)CC(=O)N[C@H](C)CN=c1cc[nH]cc1C#N 1108174052 HRJDQRUEKGBDDG-LLVKDONJSA-N 319.365 -0.603 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)C(=O)N2CC[C@@H](C)C2)C1 1108330614 CWQRJTSHLZJIKH-CZUORRHYSA-N 307.394 -0.305 30 20 DBED CN(C)C(=O)C1(C(=O)NC[C@]2(C)CN(CC#N)CCO2)CC1 1108334322 HVFDXVKWRMYLAG-CQSZACIVSA-N 308.382 -0.415 30 20 DBED CNC(=O)C1(C(=O)N[C@@H](C)CNc2nccnc2C#N)CC1 1108440163 JEHJUIQMLGUVEL-VIFPVBQESA-N 302.338 -0.209 30 20 DBED C=C[C@@](C)(CC)C(=O)N[C@@H]1CC(=O)N(C2CN(CC(N)=O)C2)C1 1108569044 BEZBSCHXWCBJAP-BZNIZROVSA-N 322.409 -0.525 30 20 DBED C[C@H](CN(C)c1ccc(C#N)nc1)NC(=O)Cn1ncnn1 1109116881 NQDBVODPIXXLLN-SNVBAGLBSA-N 300.326 -0.419 30 20 DBED CN(CCCN=c1cc[nH]c(C#N)n1)C(=O)CN1CCOCC1 1109409240 SHRFHLZPNCHDHQ-UHFFFAOYSA-N 318.381 -0.637 30 20 DBED N#Cc1cncc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)CCc2cnn[nH]2)n1 1109741580 IVLUKECNJROEON-MURWCNHISA-N 324.348 -0.208 30 20 DBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1ccncn1 1109863118 GFUCQCBSXDWUDV-WXHSDQCUSA-N 314.349 -0.549 30 20 DBED N#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCCN1C(=O)CNC1=O 1110082428 MKNKYEZUUJYTST-WOPDTQHZSA-N 319.365 -0.437 30 20 DBED CC(C)(C(N)=O)C(=O)NCC1(Nc2nccnc2C#N)CC1 1110256389 RTIYNKNXUBOSQY-UHFFFAOYSA-N 302.338 -0.080 30 20 DBED C[C@@]1(NC(=O)CNC(N)=O)CCN(c2cncc(C#N)n2)C1 1110708688 IXUZTLPHICYYJF-CYBMUJFWSA-N 303.326 -0.898 30 20 DBED C#CCNC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCN(C)C 1110980107 QGLKYGPQLIQHCM-TUVASFSCSA-N 320.437 -0.203 30 20 DBED N#Cc1ccc(N2CC[C@](O)(CNC(=O)c3ccon3)C2)nn1 1111052188 KYUULGKUEUOLKG-AWEZNQCLSA-N 314.305 -0.293 30 20 DBED N#Cc1cccnc1N1CC[C@@](O)(CNC(=O)c2nc[nH]n2)C1 1111089230 NDZBSFFWKWOCMP-CQSZACIVSA-N 313.321 -0.557 30 20 DBED C=C[C@](C)(O)CC(=O)N(C)[C@H]1CN(c2ncc(F)cn2)C[C@@H]1O 1111180041 JRPPVCNKOZEERL-HUBLWGQQSA-N 324.356 -0.049 30 20 DBED CNC(=O)CC(=O)N1C[C@H](C)[C@H](Nc2nccnc2C#N)C1 1112309392 ZALXTNPUCIWGBJ-GXSJLCMTSA-N 302.338 -0.257 30 20 DBED CCCN(C)CCC(=O)N1CCN(CC(=O)NCC#N)CC1 1113567765 DRBQLYMFFORGRA-UHFFFAOYSA-N 309.414 -0.498 30 20 DBED C=CCOCC(=O)NC1[C@@H]2CN(CC(=O)N3CCOCC3)C[C@@H]12 1114055041 RYYYLSHMPOUYGP-CHWSQXEVSA-N 323.393 -0.906 30 20 DBED CC(C)(C)C(=O)C(=O)NC1[C@H]2CN(CC(=O)NCC#N)C[C@H]12 1114077008 LCWWSUXWURQXBI-UWVGGRQHSA-N 306.366 -0.712 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)CO[C@@H]3CCOC3)[C@@H]2C1 1114273057 GQJISULJOMFWBW-JHJVBQTASA-N 323.393 -0.860 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)C[C@@H](C)NC(N)=O)[C@H]2C1 1114277356 AMYDOKSZONOLPI-NMKXLXIOSA-N 308.382 -0.871 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)[C@@]3(C)CNC(=O)C3)[C@@H]2C1 1114601885 GOJILBZBMDLUHU-XHBSWPGZSA-N 305.378 -0.791 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)C3(CF)CCC3)[C@H]2C1 1114865398 WDCPEGQWPZAXQO-RYUDHWBXSA-N 307.369 -0.078 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3cc(CC)on3)[C@H]2C1 1115132406 HNPNPTIXCHIVHG-JYAVWHMHSA-N 316.361 -0.354 30 20 DBED CC[C@H](C)C(=O)NCC(=O)NC1[C@@H]2CN(CC#CCOC)C[C@@H]12 1115255120 XAVUUWODFQOQEM-BFHYXJOUSA-N 321.421 -0.155 30 20 DBED C#CCN1C[C@H]2[C@H](NC(=O)COc3cccc(C(N)=O)c3)[C@H]2C1 1115292463 OQRAKHWBTJVGPA-FOLVSLTJSA-N 313.357 -0.156 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)CCCC(N)=O)[C@H]2C1 1115350312 QYVKZBWYNNOAKS-UUIJZJDISA-N 322.409 -0.621 30 20 DBED C[C@@H](CN(C)C(=O)CN1CCOCC1)N=c1cc[nH]c(C#N)n1 1115678024 KPXOBOZQMVPSQA-LBPRGKRZSA-N 318.381 -0.639 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CCC[C@H]2C[C@@H](C)O)nn1 1118115905 KQBPUGQDIDUIDJ-YPMHNXCESA-N 321.381 -0.158 30 20 DBED C#CCCOC(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 1118869942 XWZYATXMNIPSHC-JTQLQIEISA-N 302.352 -0.571 30 20 DBED C[C@H](CN(C)C(=O)C1(C(N)=O)CC1)N=c1cc[nH]c(C#N)n1 1120555278 PYJYJTALZWQMPQ-SECBINFHSA-N 302.338 -0.706 30 20 DBED N#Cc1cccnc1N[C@@H](CO)CNC(=O)[C@@H]1COCCO1 1121137092 TXHSRZPRUKYXRY-NEPJUHHUSA-N 306.322 -0.742 30 20 DBED COCC1(CC(=O)NC[C@@H](CO)N=c2cc[nH]c(C#N)n2)CC1 1121479673 CTNZARJFYQOPIK-NSHDSACASA-N 319.365 -0.524 30 20 DBED CN1CCC(C(=O)NC[C@H](CO)N=c2cc[nH]cc2C#N)CC1 1121718944 UGSWSBBZJJYZSA-CQSZACIVSA-N 317.393 -0.394 30 20 DBED Cc1nc(C(=O)NC[C@H](CO)N=c2cc[nH]c(C#N)n2)c(C)o1 1121915061 XEIJJXRXHBMEFK-SNVBAGLBSA-N 316.321 -0.422 30 20 DBED COC1CC(C(=O)NC[C@@H](CO)N=c2cc[nH]c(C#N)n2)C1 1122177159 LUXLNUMZFGHKJW-YVNMAJEFSA-N 305.338 -0.916 30 20 DBED CN1CCCC[C@H]1C(=O)NC[C@@H](CO)Nc1ccc(C#N)nn1 1122342931 TXEXUKADJSKQDK-STQMWFEESA-N 318.381 -0.278 30 20 DBED COC[C@@H](OC)C(=O)NC[C@@H](CO)Nc1ccc(C#N)c(C)n1 1122464794 CDQVNONUQVXGJD-QWHCGFSZSA-N 322.365 -0.188 30 20 DBED COCCNC(=O)[C@H](C#N)C(=O)[C@H](C)NC(=O)c1ccco1 1122512577 JQESOQPBHQQPMX-VHSXEESVSA-N 307.306 -0.131 30 20 DBED N#Cc1nccnc1N1CC[C@@]2(NC(=O)CC(N)=O)CCC[C@@H]12 1123394402 OWMBDAVMUQCEMT-ABAIWWIYSA-N 314.349 -0.159 30 20 DBED N#Cc1cncc(NC[C@@H]2CC[C@H](NC(=O)CNC(N)=O)C2)n1 1123718910 JOQQRDSIRFTQFN-ZJUUUORDSA-N 317.353 -0.287 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)[C@@H]1CC1(F)F 1124305160 PEZGIBZPWUOTHX-IUCAKERBSA-N 311.292 -0.343 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)c1ccn(C)n1 1124353073 SZZONUYUCJAARP-SNVBAGLBSA-N 315.337 -0.951 30 20 DBED C[C@H](NC(=O)C(N)=O)C1CCN(c2ccc(C#N)nn2)CC1 1126768129 XPGYGPTWJGAYKD-VIFPVBQESA-N 302.338 -0.445 30 20 DBED C#CCCN1CCn2ncc(CNC(=O)CC(=O)NCC)c2C1 1128322158 VYQCSVKNOYYCLG-UHFFFAOYSA-N 317.393 -0.136 30 20 DBED C#CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)CC(=O)N(C)C)C1 1129312608 IWSRLHCYQGLNII-OLZOCXBDSA-N 318.381 -0.879 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1nc[nH]c1C(F)(F)F 1129535545 WYFXIBLVHWCJLB-UHFFFAOYSA-N 317.271 -0.503 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)[C@@H]2CCCCN2C)C1=O 1130300152 JLJJHTVYMNJDCK-KGLIPLIRSA-N 308.426 -0.037 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2C[C@@H]3CN(C(C)=O)C[C@@]3(C1)O2 1131164532 OBUFTOOMTXZWFO-ADSMDIBLSA-N 305.378 -0.554 30 20 DBED C#CCNC(=O)CC(=O)N1CCC(=O)NCCN(CCC)CC1 1131357255 NOFSGNHXNQAPGH-UHFFFAOYSA-N 322.409 -0.814 30 20 DBED CC#CCN1CCNC(=O)CCN(C(=O)CC(=O)N(C)C)CC1 1131385833 NELIWSWZPYXKOX-UHFFFAOYSA-N 322.409 -0.862 30 20 DBED C=CCOCCN1C[C@@H](NC(=O)Cn2cnnn2)CC[C@@H]1C 1131783960 LZDDNYHDCMPNSU-STQMWFEESA-N 308.386 -0.155 30 20 DBED COCC#CCN1C[C@H](NC(=O)C2(C(N)=O)CC2)CC[C@@H]1C 1132262516 YMBFIMNEEUZGAD-QWHCGFSZSA-N 307.394 -0.129 30 20 DBED C=CCN1C[C@@H](NC(=O)CNC(=O)Cn2cncn2)CC[C@@H]1C 1132513053 NMJRUIWLUJEMJB-STQMWFEESA-N 320.397 -0.451 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)[C@@H]1CCN(C)C1=O 1132624599 QAABGMIGLVJYBQ-ZDUSSCGKSA-N 322.409 -0.629 30 20 DBED N#Cc1ccc(F)cc1CNCCNC(=O)[C@@H]1CNC(=O)N1 1133129422 YIBAIHOMFVJILK-LBPRGKRZSA-N 305.313 -0.415 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)c2cnon2)CC[C@H]1C 1133182980 WHYXKCCUWRFMTK-VXGBXAGGSA-N 319.365 -0.493 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1nn(C)c(C)c1Cl 1134510114 AZOXBVWNCVFWNZ-UHFFFAOYSA-N 311.773 -0.549 30 20 DBED C=CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)c1cncnc1O 1134721668 JIZRYUZSLULDBU-WDEREUQCSA-N 321.381 -0.029 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1cccn2ccnc12 1135253914 OUFMFEWYZGMKMC-UHFFFAOYSA-N 300.322 -0.707 30 20 DBED O=C(CCn1cnnn1)NCCNCC#Cc1ccc(F)cc1 1135677569 OYRIJDUVZRNJLF-UHFFFAOYSA-N 316.340 -0.040 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)CCCN1CCCC1 1152237845 YDNLTSMBXTUIQW-AWEZNQCLSA-N 308.426 -0.294 30 20 DBED C#CCOCCC(=O)NC[C@@H](C)N(CC)CCN1CCNC1=O 1153306281 HIFYVJMHJMCWEE-CQSZACIVSA-N 324.425 -0.122 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)c1nccn1CC 1157242297 IULQJDGLRNIHGT-GFCCVEGCSA-N 305.382 -0.250 30 20 DBED C#CCNC(=O)CN1CC=C(CCNC(=O)c2cn[nH]c2)CC1 1159374709 IKXCNYKJUHAUGY-UHFFFAOYSA-N 315.377 -0.089 30 20 DBED C#CCNC(=O)CNCCCNC(=O)C[C@@H](C)c1cnn(C)c1 1163164954 UVPFUSRPYGXBGS-CYBMUJFWSA-N 319.409 -0.241 30 20 DBED C#CCNCC1(CCNC(=O)[C@@H]2CC(=O)N(CCOC)C2)CC1 1165307808 VQYCUDIESLNUAR-CQSZACIVSA-N 321.421 -0.009 30 20 DBED C=CCNC(=O)NC(=O)CNCCCNC(=O)C1(CF)CC1 1166355341 OHFCWKSXWOHKEN-UHFFFAOYSA-N 314.361 -0.156 30 20 DBED C#CCNC(=O)[C@@H](C)NCC1(CCNC(=O)c2nc[nH]n2)CC1 1167483820 IXONAJDCKHIGRS-LLVKDONJSA-N 318.381 -0.568 30 20 DBED CC(=O)N1CCO[C@H](C(=O)NCCC2(CNCC#N)CC2)C1 1167940115 JNBLKAGFUFQMFR-ZDUSSCGKSA-N 308.382 -0.367 30 20 DBED C=CCNC(=O)CNCCCNC(=O)CNC(=O)[C@@H](C)CC 1176328796 YDTZGOCTYNBCJB-LBPRGKRZSA-N 312.414 -0.453 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)[C@H](C)OCC#C)[C@H]1C 1178679095 YONPKHHIXUUQEF-IHRRRGAJSA-N 305.378 -0.647 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2ccnc(O)c2)C1 1181980356 WIPQNJZZRXIDEJ-DGCLKSJQSA-N 316.361 -0.271 30 20 DBED C#CCCN[C@@H]1CCN(C(=O)c2ccc(=O)n(CCOC)n2)C1 1184075564 ICVITPXEAUKPIT-CYBMUJFWSA-N 318.377 -0.283 30 20 DBED C=CCOCCN[C@@H]1CCN(C(=O)[C@H](C)NS(C)(=O)=O)C1 1185912493 FCXCGRAMAWWFFL-NWDGAFQWSA-N 319.427 -0.683 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)C2=CCOCC2)C1 1189787676 PPIJBQVCSYSCAH-CQSZACIVSA-N 305.378 -0.385 30 20 DBED CC(C)C#CC(=O)N1CC[C@@H](N(C)CCNS(C)(=O)=O)C1 1190053390 HXWJBVSBSWUFNM-CYBMUJFWSA-N 315.439 -0.272 30 20 DBED Cc1ccc(C(=O)N2CC[C@@H](N(C)CC(=O)NCC#N)C2)nn1 1190055037 VSNKKJQFZPYQDP-GFCCVEGCSA-N 316.365 -0.429 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(C[C@@H]2CCNC(=O)CC2)C[C@H]1O 1192509716 CQEGJUZDSAEMPV-RRFJBIMHSA-N 321.421 -0.133 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(CC(=O)N2CCCCC2)C[C@H]1O 1192722251 KWUUHBCCXCQTOM-HUUCEWRRSA-N 321.421 -0.180 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)c2ccnnc2C)C1 1194424096 LNNPCSHSTPNONY-ZIAGYGMSSA-N 304.350 -0.790 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)c2ccc(C(N)=O)o2)C1 1194535174 REHFMUYSCQSLJJ-GHMZBOCLSA-N 323.349 -0.644 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)CNC(=O)CC2CCCC2)C1 1196925483 NDVSLUUUOOMZRT-HUUCEWRRSA-N 321.421 -0.133 30 20 DBED C[C@@H]1C[C@H](C(=O)N2CCC(NCC(=O)NCC#N)CC2)CO1 1201339278 WXTQIJSCXYPHLY-NEPJUHHUSA-N 308.382 -0.368 30 20 DBED COCC#CCNC1CCN(C(=O)[C@H]2CC[C@H]2C(N)=O)CC1 1201959777 QLEPYKBWTUUOJA-KGLIPLIRSA-N 307.394 -0.272 30 20 DBED N#CCNC(=O)CNCC1CCN(C(=O)C[C@@H]2CCOC2)CC1 1204852733 VSOWEXFGAUXFPU-AWEZNQCLSA-N 322.409 -0.119 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN([C@H]2CCC(=O)NC2=O)C[C@H]1C 1206946286 RLZKLMWZRVXCMW-UPJWGTAASA-N 305.378 -0.113 30 20 DBED COCC#CCN[C@@H]1CCCN(C(=O)[C@]2(C)CNC(=O)C2)C1 1208688930 YAZACPASVSNWLR-CJNGLKHVSA-N 307.394 -0.257 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CN(CC(=O)NCC)C[C@H]2C)nn1 1209255662 XFAADODUJUURBK-VXGBXAGGSA-N 320.397 -0.350 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCCN(C(=O)Cc2ncc[nH]2)C1 1210327339 HTBKQAZOWCQLDF-OLZOCXBDSA-N 317.393 -0.329 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)C23CCN(CC2)C3)C1 1210674454 WOAIWXQATREMQZ-CQSZACIVSA-N 320.437 -0.035 30 20 DBED CC#CCN[C@@H]1CCCN(C(=O)CCS(=O)(=O)N(C)C)C1 1211219473 NXFMXBUMEDCCGW-CYBMUJFWSA-N 315.439 -0.128 30 20 DBED C#CCN1C[C@@H](NC(=O)CNC(=O)c2ccccn2)[C@H](C)C1 1211261484 AOQRITHDEXVMHP-TZMCWYRMSA-N 300.362 -0.119 30 20 DBED CO[C@@H]1CN(Cc2nncn2C)C[C@H]1NC(=O)C#CC1CC1 1212244355 PZMPXOWBIJTQLK-CHWSQXEVSA-N 303.366 -0.456 30 20 DBED C#CCN1C[C@@H](NC(=O)COc2c(C)nn(C)c2C)[C@H](OC)C1 1212291287 GFKVZWNFVYCOFU-ZIAGYGMSSA-N 320.393 -0.136 30 20 DBED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)[C@@]12CCC[C@@H]1C2 1213195731 ROZPKYCHVJTFOP-BRXULGCHSA-N 320.393 -0.368 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)COCc1cccnc1 1213788602 GIXNKKJSTOAGKN-ZIAGYGMSSA-N 304.350 -0.063 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)[C@@]2(C)CNC(=O)C2)C[C@H]1C 1215202083 NRTDDGZAOGORFU-XJKCOSOUSA-N 307.394 -0.401 30 20 DBED C=CCOCCN[C@@H]1CN(C(=O)CS(=O)(=O)NC)C[C@H]1C 1216772699 JPPHCNYXXFPCGQ-VXGBXAGGSA-N 319.427 -0.825 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)C=C2CCC2)C1 1219446035 XQDZKRQGZPJFLU-BNOWGMLFSA-N 305.378 -0.604 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCC2(F)F)C1 1219858368 OOALFEAEWLXWDB-TUAOUCFPSA-N 302.321 -0.157 30 20 DBED C=C[C@](C)(CC)C(=O)N[C@@H]1CN(CCN2CCNC2=O)C[C@@H]1O 1220293550 LHQZYZQMMSPXAO-DVOMOZLQSA-N 324.425 -0.225 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)[C@H](C)c2cnn(C)c2)C1 1221202426 ABJWIROQOUHDGO-YUELXQCFSA-N 320.393 -0.665 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@@H]2CN(C(=O)c3ncc[nH]3)[C@@H]2C1 1221529687 MDIAVPXMMBPIIV-YNEHKIRRSA-N 315.377 -0.306 30 20 DBED C=CCO[C@H](C)C(=O)N1C[C@H]2CCN(Cc3nnnn3C)C[C@H]21 1222069663 VIWIDUWWSXOULG-JHJVBQTASA-N 320.397 -0.166 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)[C@@H]2CCNC2=O)CC1 1228597691 VQQISOXKBHDROF-GFCCVEGCSA-N 308.382 -0.995 30 20 DBED C#CCCN1CCS(=O)(=O)[C@H](CCNC(=O)c2cn[nH]c2)C1 1230426140 VOJQUBDLAIHTIC-CYBMUJFWSA-N 324.406 -0.348 30 20 DBED Cn1c(O)ncc(C(=O)/C=C/c2cn(CC(=O)O)nn2)c1=O 1253702129 DPGZMNABSHATMC-NSCUHMNNSA-N 305.250 -0.942 30 20 DBED N#CC1(NC(=O)COC(=O)c2nc3ncccn3n2)CCC1 1261595080 GGHFZTYZXVJXQJ-UHFFFAOYSA-N 300.278 -0.156 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCc2nc(C)c(C)o2)C1=O 1263917581 RFEKNRCJLPBOCB-UHFFFAOYSA-N 320.305 -0.116 30 20 DBED COCCO[C@@H]1COCC[C@@H]1NC(=O)Cn1cnc(C#N)n1 1320461651 QQDLIYHHPOMERV-WDEREUQCSA-N 309.326 -0.914 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)NC[C@@H]1CCCCS1(=O)=O 1323732122 VKZFXIKIJRRPAD-ZDUSSCGKSA-N 324.402 -0.445 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CC[C@H](OCCOC)C1 1325475216 OYHPKPZIZXWLIU-NEPJUHHUSA-N 300.355 -0.433 30 20 DBED CC(C)(C)n1cnc(NC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)n1 1326048489 IBOFVCPRPAJJRX-AWEZNQCLSA-N 320.353 -0.151 30 20 DBED C=CCOCCNC(=O)C(=O)N1CCO[C@@H](CC(=O)OC)C1 1327426671 NVDSFDODONWVHQ-NSHDSACASA-N 314.338 -0.904 30 20 DBED COC(=O)c1cnn(CC(=O)NC2(C#N)CCN(C)CC2)c1 1334973959 WZMQIQAPECUXTQ-UHFFFAOYSA-N 305.338 -0.226 30 20 DBED C#CCN(CC#CC)c1nnc([C@]2(O)CCOC2)n1CCOC 1345860211 AICPUHHTTRRLNM-INIZCTEOSA-N 318.377 -0.005 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(C[C@H]2CCC(=O)O2)c1=O 1346798421 IMWPYDWPTAKCMJ-SNVBAGLBSA-N 307.306 -0.751 30 20 DBED C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)CCN1C 1349214697 JENXECUXBYHTEL-XUJVJEKNSA-N 308.382 -0.538 30 20 DBED C=C[C@H](C(=O)OC)n1cc(CNC(=O)C2CCNCC2)nn1 1349751405 SURGWINQJPAENO-GFCCVEGCSA-N 307.354 -0.206 30 20 DBED CCN(CC)C(=O)CNC(=O)C(=O)Nc1ccn(CCC#N)n1 1352193721 JVEKOUKLJPKUFR-UHFFFAOYSA-N 320.353 -0.280 30 20 DBED C[C@H]1C[C@@H](NC(=O)CCn2cc(C#N)c(O)nc2=O)CCO1 1362488520 PPJHIRDAFVAOKP-ONGXEEELSA-N 306.322 -0.106 30 20 DBED N#Cc1ncn(CC(=O)N2CCS(=O)(=O)C[C@H]2C2CCC2)n1 1362789576 QHTFJGLGXUNNOQ-NSHDSACASA-N 323.378 -0.425 30 20 DBED CN(CCC#N)S(=O)(=O)N[C@@H](CO)Cc1cnn(C)c1 1364001943 PMQURRQPRFTKRE-LLVKDONJSA-N 301.372 -0.997 30 20 DBED CO[C@@H]1CN(CCS(=O)(=O)c2ccc(C#N)cn2)C[C@H]1O 1365298220 MDKGOTQJMPDMAC-VXGBXAGGSA-N 311.363 -0.582 30 20 DBED CCN(CCC#N)C(=O)CNC[C@@H](C)NC(=O)c1cnn(C)c1 1367651669 HBCRSYPNWMGTSS-GFCCVEGCSA-N 320.397 -0.110 30 20 DBED CCC(=O)NCC(=O)NC1CN(CC(=O)N(CC)CCC#N)C1 1373418300 RNISCMGVMHSOOG-UHFFFAOYSA-N 323.397 -0.925 30 20 DBED CCN1CCOC[C@@H]1C(=O)NCC1(NC(=O)[C@@H](C)C#N)CC1 1393720037 XRIRLAVYEXADET-NWDGAFQWSA-N 308.382 -0.368 30 20 DBED CC(=O)N1CCC[C@@H](C(=O)NCCN(C)C(=O)[C@H](C)C#N)C1 1397974009 ONAJJCWZNXRMDC-DGCLKSJQSA-N 308.382 -0.021 30 20 DBED CC(C)S(=O)(=O)CC(=O)N[C@H](C)CNC(=O)[C@H](C)C#N 1415259804 UCKXLISEHMHLJH-NXEZZACHSA-N 303.384 -0.410 30 20 DBED COC[C@@H](C)CC(=O)NC[C@H](O)CNC(=O)c1cc(C#N)c[nH]1 1431513354 HISXFJBKPMHTCE-JQWIXIFHSA-N 322.365 -0.234 30 20 DBED Cc1[nH]nc(NC(=O)CN(C)S(=O)(=O)N(C)C)c1C#N 1434187632 CSBXETVORSYKFX-UHFFFAOYSA-N 300.344 -0.734 30 20 DBED CN(CCNC(=O)C[C@H]1CCC(=O)N1)c1nccnc1C#N 1478259060 ZVDYRAKAJGPSHQ-SNVBAGLBSA-N 302.338 -0.431 30 20 DBED C[C@@H](CC(N)=O)C(=O)N1CC(CNC(=O)c2cc(C#N)c[nH]2)C1 1530727105 AKJNJFLYJNEWCF-VIFPVBQESA-N 317.349 -0.414 30 20 DBED C#CCN(C)c1nnc([C@H]2CCCNC2)n1Cc1ncn(C)n1 1574604289 KLBBHGIDPMXSTK-LBPRGKRZSA-N 314.397 -0.009 30 20 DBED CNC(=O)[C@H]1CCC[C@H]1Nc1cnc(C#N)c(-c2nn[nH]n2)n1 1579386255 FOVRMEHQGIEMSO-JGVFFNPUSA-N 313.325 -0.145 30 20 DBED Cn1nnc(NC(=O)[C@@H](C#N)Cc2ccc(-c3nn[nH]n3)cc2)n1 1581844883 OOYLUBNGRAIZKC-SNVBAGLBSA-N 324.308 -0.289 30 20 DBED C#CCC[C@@H](O)CNS(=O)(=O)c1csnc1C(=O)O 1588435115 DAMXKHUNQZGXPP-SSDOTTSWSA-N 304.349 -0.106 30 20 DBED C#CCN1C(=O)C[C@@H](N2CCc3ccc(C(=O)O)nc3C2)C1=O 1588471715 YHCKGGVAFNDJJW-CYBMUJFWSA-N 313.313 -0.101 30 20 DBED C=C[C@@H](O)C(=O)O[C@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 1588526234 SVGZMNGAQUQYFM-ZJUUUORDSA-N 303.278 -0.517 30 20 DBED CC(=O)NC(=O)CSc1nc(N)c(C#N)cc1-c1nn[nH]n1 1588828271 AZJFQOMPYXEFPP-UHFFFAOYSA-N 318.322 -0.530 30 20 DBED N#C[C@@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)O[C@H]1CNOC1 1592669842 UYZFNAAYBAUTKD-NEPJUHHUSA-N 314.305 -0.004 30 20 DBED Cn1cc([C@@H]2C[C@@H](C(=O)O)CN(CC(=O)NCC#N)C2)cn1 1594537953 JXNDOJBCIRVDTB-GHMZBOCLSA-N 305.338 -0.450 30 20 DBED CCN(CCC#N)S(=O)(=O)N1C[C@H](C)O[C@H](C(=O)O)C1 1596299827 DQHBMIJRMMLFJC-UWVGGRQHSA-N 305.356 -0.359 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1CC[C@@](F)(C(=O)O)C1 1599235820 SKLBVASXBNUCDP-NSHDSACASA-N 323.346 -0.408 30 20 DBED N#Cc1cc(F)ccc1CS(=O)(=O)NC[C@H](O)CC(=O)O 1601088674 CEWGAUKQMONALH-LLVKDONJSA-N 316.310 -0.048 30 20 DBED CC1(C(=O)O)CN(C(=O)CCn2cc(C#N)c(O)nc2=O)C1 1604502103 MRECNRHWELAVQH-UHFFFAOYSA-N 306.278 -0.856 30 20 DBED N#CCSCC(=O)Nc1nc2n(c1-c1nn[nH]n1)CCOC2 1606351790 ZXFPDCGUJXWWGD-UHFFFAOYSA-N 320.338 -0.211 30 20 DBED C[C@H](C(=O)N1CCC([C@@H](O)C(=O)O)CC1)n1cnc(C#N)n1 1609633182 TWBITQWLSKVMQF-LDYMZIIASA-N 307.310 -0.605 30 20 DBED CN1CCN(S(=O)(=O)CC2(C#N)CCC2)C[C@@H](C(=O)O)C1 1610137314 AHYACHSNPQXZPV-NSHDSACASA-N 315.395 -0.042 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H](C)N(C)C[C@H](O)COC 1674944542 ZLPIFHURMUZXGT-KKUMJFAQSA-N 311.426 -0.472 30 20 DBED CN1C[C@@H](C(=O)NCCCN2CCN(CC#N)CC2)CC1=O 1752343003 AJKHZCBGEBLGHH-ZDUSSCGKSA-N 307.398 -0.888 30 20 DBED COCC#CCN[C@@H](CNC(=O)C[C@H]1CC(=O)NC1=O)C1CC1 1752497873 ONPYHUQEFHAABV-STQMWFEESA-N 321.377 -0.827 30 20 DBED C#CCNC(=O)CNC[C@H]1CCN(C(=O)CC2OCCCO2)C1 1752935243 MNYCQWXRZHTKKA-CYBMUJFWSA-N 323.393 -0.673 30 20 DBED CC(C)(O)CC(=O)N[C@H]1CCC[C@@H](NCC(=O)NCC#N)C1 1752966272 ADXOTYJYROFSJH-NEPJUHHUSA-N 310.398 -0.196 30 20 DBED C#CCNC(=O)[C@@H](C)N(CC)CCNC(=O)c1ccc(C)nn1 1753081727 QHYGJNRMGOLKEI-CYBMUJFWSA-N 317.393 -0.025 30 20 DBED CNS(=O)(=O)CCC(=O)N1CCC([C@@H](C)NCC#N)CC1 1753276079 YOBLSHIJUILZSK-LLVKDONJSA-N 316.427 -0.334 30 20 DBED C#CCO[C@@H](C)C(=O)N(CC)[C@@H]1CCN(Cc2nc(O)n[nH]2)C1 1753455537 KSOFZZOWRFFXHL-NWDGAFQWSA-N 321.381 -0.029 30 20 DBED CC#CCN[C@@H](CNC(=O)CN1CCN(C)C(=O)C1)C(C)C 1753834404 LDHOYBFLSBHDAF-AWEZNQCLSA-N 308.426 -0.486 30 20 DBED C#CCNC[C@H]1CCC[C@H]1NC(=O)CN1CCCS1(=O)=O 1753886417 ANAYSNFRBRRJLO-CHWSQXEVSA-N 313.423 -0.470 30 20 DBED C#CCNC(=O)CNC[C@@H](C)NC(=O)[C@H]1Cc2ccccc2O1 1754234885 XKAXOZXHKPSSES-IUODEOHRSA-N 315.373 -0.166 30 20 DBED CCNC(=O)NC(=O)CNC[C@H](NC(=O)C#CC1CC1)C1CC1 1754439700 RKASENNLZKHMLB-ZDUSSCGKSA-N 320.393 -0.270 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CNC(=O)COC1CCCC1 1754472704 BZBWAWHEDUZALH-ZDUSSCGKSA-N 307.394 -0.115 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CNC(=O)[C@H]1CCN(C)[C@@H](C)C1 1754491049 BCWGLVCSQYSYDH-KKUMJFAQSA-N 320.437 -0.343 30 20 DBED C=CCNC(=O)CNC1(CNC(=O)[C@@H]2CC(=O)N(CC)C2)CC1 1754516968 VSACBYLIOLHNPW-GFCCVEGCSA-N 322.409 -0.605 30 20 DBED C=CCNC(=O)CNC[C@@]1(C)CCN(C(=O)Cc2nc[nH]n2)C1 1754707555 IXZSCJDLAXKCRZ-OAHLLOKOSA-N 320.397 -0.522 30 20 DBED C=C(C)CCN1CC(O)(CNC(=O)[C@@H]2CCCN(C(N)=O)C2)C1 1754770788 ZHMMHIRVYYVOJH-CYBMUJFWSA-N 324.425 -0.094 30 20 DBED COCC#CCN(C)[C@@H](C)CNC(=O)CS(=O)(=O)C(C)C 1755326918 AXFSGNAKACNICJ-ZDUSSCGKSA-N 318.439 -0.104 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC([C@@H](C)NC(=O)c2nc[nH]n2)C1 1755388357 ZVROGYXQFUGNFQ-NXEZZACHSA-N 306.370 -0.455 30 20 DBED Cc1cc(C(=O)N[C@H](C)CCCNCC(=O)NCC#N)cnn1 1755495783 NBJJPTGIGKDIMO-LLVKDONJSA-N 318.381 -0.087 30 20 DBED C#CCCN(C)C[C@H](O)CN(C)C(=O)[C@]1(C)CCNC(=O)C1 1755802452 VOOIIAKOVWGJLY-XJKSGUPXSA-N 309.410 -0.323 30 20 DBED C#CCN1CCC([C@H](C)NC(=O)CS(=O)(=O)NC)CC1 1755850903 MZMNHMNBDFPCPB-NSHDSACASA-N 301.412 -0.615 30 20 DBED C#CCCCC(=O)N[C@H](CO)CNC(=O)c1cncnc1C 1756506695 VVRNMGBFDHWXDY-LBPRGKRZSA-N 304.350 -0.205 30 20 DBED C=CCCCC(=O)NC[C@H](CO)NC(=O)c1nnn(C)c1C 1756545866 HXOIQHXKEOKFAX-LLVKDONJSA-N 309.370 -0.313 30 20 DBED C=CCOCC(=O)N[C@@H]1C[C@@H](NC(=O)CNC(C)=O)C12CCC2 1757044491 YQROBHVEVIUOSC-CHWSQXEVSA-N 323.393 -0.131 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1ncccn1)CCO2 1783049806 UOGRCMSRFSFJGU-HNNXBMFYSA-N 300.318 -0.447 30 20 DBED N#CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn[nH]c1)C2 1795080950 BEUABMLSHBWKDS-PTEHBNRSSA-N 303.322 -0.473 30 20 DBED N#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1C[C@@H](O)C1)C2 1795417859 IDOJNSKIDWOXJN-DEWSTNBRSA-N 321.377 -0.349 30 20 DBED C#CCCC(=O)N1CCCC12CN(C(=O)Cn1nccn1)C2 1846998502 DGVNAZZBFURWDH-UHFFFAOYSA-N 301.350 -0.105 30 20 DBED C=CCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C 16202394 LZSOPNVMIKYSAG-UHFFFAOYSA-N 313.379 -0.038 30 20 DBED CCn1cc(C#N)c(=O)n(CCCN2CCN(C)CC2)c1=O 181316732 DKBXNWVJPQOBHW-UHFFFAOYSA-N 305.382 -0.461 30 20 DBED C#CCN(C)S(=O)(=O)CCNS(=O)(=O)c1ccccc1 191995539 QRCSWEMGQHZXPS-UHFFFAOYSA-N 316.404 -0.140 30 20 DBED CS(=O)(=O)CCCNS(=O)(=O)c1cccnc1C#N 235022857 YVGXOHMPLHAMIY-UHFFFAOYSA-N 303.365 -0.334 30 20 DBED N#C[C@H]1COCCN1S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 266129881 AUOPVRDKYQIPMM-NSHDSACASA-N 321.358 -0.114 30 20 DBED COC(=O)CC[C@@H](NS(=O)(=O)CC1(C#N)CC1)C(=O)O 275316868 RUYMPESROZNATR-MRVPVSSYSA-N 304.324 -0.384 30 20 DBED COC[C@@H]1CN(c2c(C#N)c(=O)n(C)c(=O)n2C)C[C@H](C)O1 275795743 CRDBQVMCMQZESH-UWVGGRQHSA-N 308.338 -0.804 30 20 DBED C[C@H](/N=C(/O)[C@@H]1CCCN1C)C(=O)N1CCS(=O)(=O)CC1 329345617 QZGSYZSBXVDFCE-QWRGUYRKSA-N 317.411 -0.317 30 20 DBED CCNS(=O)(=O)[C@H]1CCN(/C(O)=N/[C@@H]2[C@H]3COC[C@H]32)C1 330023133 IGSHLSWMVYAAPP-UKKRHICBSA-N 303.384 -0.441 30 20 DBED C[C@H](CN1CCN(C)CC1)NS(=O)(=O)N(C)[C@H](C)CC#N 330409217 JYEQRRFZBSKSQT-CHWSQXEVSA-N 317.459 -0.309 30 20 DBED CNC(=O)[C@@H]1CN(CC(=O)N/C(O)=N/CC(C)C)CCO1 330814014 MORRNIWMSRIXTK-JTQLQIEISA-N 300.359 -0.881 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1C[C@H](CO)OC[C@@H]1C 336940588 JCHPDMXKASEODW-NWDGAFQWSA-N 321.399 -0.825 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@@H]1C[C@@H](O)C1(C)C 337164525 XTMMBBPQBLOVKB-GHMZBOCLSA-N 305.400 -0.158 30 20 DBED CC[C@@H]1CN(CCNC(=O)[C@@H](C)n2cnc(C#N)n2)CCO1 337191764 XHAJBDSIGWVMRR-VXGBXAGGSA-N 306.370 -0.062 30 20 DBED CNC(=O)N[C@H]1CCN(S(=O)(=O)N(C)[C@H](C)CC#N)C1 337838389 UTONUGRJLYLEAX-ZJUUUORDSA-N 303.388 -0.532 30 20 DBED COC[C@H](O)CNS(=O)(=O)c1ccc(C#N)cc1OC 338419971 CIEFZGVAEMSYAE-SNVBAGLBSA-N 300.336 -0.148 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cnc(C)nc2)C1=O 343241061 IEOZGBXAXXOURR-UHFFFAOYSA-N 303.278 -0.300 30 20 DBED C[C@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)N1CCC1 352124386 XWDBUTGUZJDVTM-NSHDSACASA-N 322.394 -0.191 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N(C)CCNC(=O)N(C)C 352327701 CFDXTEHIYYPJBJ-SNVBAGLBSA-N 305.404 -0.332 30 20 DBED C=C[C@@H](CO)NC(=O)C(=O)Nc1ccc(OCCOC)nc1 354681813 UMNMNBZLQVZXJZ-JTQLQIEISA-N 309.322 -0.292 30 20 DBED CC[C@@H](NC(=O)c1cnn(C)c1C#N)C(=O)N1CCOCC1 356310896 ZXXYIRRIQABNNQ-LLVKDONJSA-N 305.338 -0.341 30 20 DBED N#CCNC(=O)CNC(=O)NC[C@@H](CO)Cc1ccc(F)cc1 358282875 XAHBYMQUHLWCHO-LBPRGKRZSA-N 322.340 -0.084 30 20 DBED C[C@@H]1CN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)C[C@@H]1O 359427975 NNTTXPXRBKLLSC-KOLCDFICSA-N 319.365 0.287 30 20 DBED C[C@H](CNC(=O)N1CCO[C@H](C#N)C1)CN1CCN(C)CC1 408253117 DZCLSLDFLKFZDL-ZIAGYGMSSA-N 309.414 -0.196 30 20 DBED C=CCOC[C@H](NC(=O)c1cnc2[nH]nnc2c1)C(=O)OC 435932032 ARKVIHGPNBSYLH-JTQLQIEISA-N 305.294 -0.173 30 20 DBED C#CCNC(=O)N1CCN(S(=O)(=O)CCOC(C)C)CC1 490778843 MMFHWEWSKGWDSQ-UHFFFAOYSA-N 317.411 -0.298 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)CNC(=O)C(C)(C)C)CC1 491126253 MJBQQGLEFFAKLK-UHFFFAOYSA-N 322.409 -0.958 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)/C=C\[C@H]2CCOC2)CC1 491523475 FHPSNDTYTMGUGA-NQHOJNORSA-N 305.378 -0.527 30 20 DBED C[C@H](C#N)S(=O)(=O)N1CCN(S(=O)(=O)C2CC2)CC1 528471808 ZGPBODPMBBZMKA-SECBINFHSA-N 307.397 -0.662 30 20 DBED N#CCN1CCN(C(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)CC1 550958143 QTKWWVASNVSHNC-BETUJISGSA-N 316.361 -0.395 30 20 DBED CC[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1cc(C)c(C#N)cn1 578377628 UXPORHRIYHYSMR-NSHDSACASA-N 315.333 -0.063 30 20 DBED CC(C)N1CCC(NC(=O)Cn2c(=O)[nH]cc(C#N)c2=O)CC1 581824012 SFGGJXITYLLMBJ-UHFFFAOYSA-N 319.365 -0.603 30 20 DBED C=CCC[C@@H](NC(=O)Cn1cnc(C(N)=O)n1)C(=O)OCC 593738998 SLFOHNIJXKLWLJ-SECBINFHSA-N 309.326 -0.609 30 20 DBED CN(C)CCCN(C)C(=O)C(=O)N1CCN(CCC#N)CC1 601425154 WNNZMBSWKGVGCR-UHFFFAOYSA-N 309.414 -0.546 30 20 DBED COCCN(CC(=O)OC(C)(C)C)C(=O)Cn1cnc(C#N)n1 610883817 XYICBMGJBSBWJO-UHFFFAOYSA-N 323.353 -0.034 30 20 DBED C=C[C@](C)(O)C(=O)NC[C@H](COC)NC(=O)[C@@](C)(O)C=C 613787852 IAQRKAUBUNZDBJ-SWHYSGLUSA-N 300.355 -0.892 30 20 DBED CC#CC[C@@H](CO)NC(=O)NC1CC(NS(C)(=O)=O)C1 645494303 DXVHXWLWNURAGZ-WHXUTIOJSA-N 303.384 -0.860 30 20 DBED O=C1CCC(=O)N(c2ccc(C(=O)NCC#CCO)cc2)N1 655057418 XPRXUAPPZCTVCU-UHFFFAOYSA-N 301.302 -0.430 30 20 DBED N#Cc1ccc(NCC(=O)N2CCNC(=O)[C@H]2CC(=O)O)cc1 739121706 UMWOVNGPOYPBBT-GFCCVEGCSA-N 316.317 -0.228 30 20 DBED CNC(=O)CNC(=S)NN=C1CCCC[C@H]1S(C)(=O)=O 741465127 YNNZQFRMEFBIMI-SECBINFHSA-N 320.440 -0.460 30 20 DBED C[C@H](OC(=O)[C@@H](C)NS(C)(=O)=O)C(=O)N(C)CCC#N 758489927 VCOITCFKTKDUBH-BDAKNGLRSA-N 305.356 -0.772 30 20 DBED C#CCN1CCN(C(=O)CN2CCC3(CC2)CNC(=O)O3)CC1 781994853 SFNHKBHSQMJOFA-UHFFFAOYSA-N 320.393 -0.662 30 20 DBED C#Cc1cc(F)c(NC(=O)C(=O)NCc2nn[nH]n2)c(F)c1 802557236 OABBEBFVLCAPNR-UHFFFAOYSA-N 306.232 -0.286 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@@H]1CN(CC)CCO1 805475907 FJWZZVLFVSPPMK-MNOVXSKESA-N 313.354 -0.349 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CC[C@@H](N2CCCC2)C1)[C@H]1CCCO1 809304842 RHXCPDXBOARLFA-QLFBSQMISA-N 319.405 -0.020 30 20 DBED C#CCOCCNC(=O)CNS(=O)(=O)c1cccc(C#N)c1 811027805 COHLPMCKNUAPGK-UHFFFAOYSA-N 321.358 -0.397 30 20 DBED CCN(CC)c1ccnc(NN=Cc2cn(CC(N)=O)nn2)n1 841629494 WAERAGPHMFRJMA-UHFFFAOYSA-N 317.357 -0.154 30 20 DBED CC(C)CS(=O)(=O)CCC(=O)N[C@@H]1CCCN(O)C1=O 848139398 VIKFTIMIHFZWNB-SNVBAGLBSA-N 306.384 -0.056 30 20 DBED Cn1cc(N2C[C@H](C(=O)N[C@@H]3CCCN(O)C3=O)CC2=O)cn1 861827304 HSMLZIYPFLWKCE-MWLCHTKSSA-N 321.337 -0.731 30 20 DBED C#CCN1CCC[C@H](NC(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)C1 890367618 PVXWCHNYODFABS-RYUDHWBXSA-N 319.365 -0.970 30 20 DBED CN(C(=O)Cn1ncnn1)[C@@H]1CCN(C(=O)C#CC2CC2)C1 937354965 XVMQNYYBSKRMNC-GFCCVEGCSA-N 302.338 -0.854 30 20 DBED Cc1c(C(=O)N[C@@H]2CCN(C(=O)C#CC3CC3)C2)nnn1C 939844879 QKDMCTGBPRSDLN-GFCCVEGCSA-N 301.350 -0.132 30 20 DBED C[C@H](C#N)C(=O)N1CCCN(C(=O)c2nccnc2N)CC1 940545723 QGKIVYGNRQEHDK-SNVBAGLBSA-N 302.338 -0.107 30 20 DBED CN1C(=O)CC[C@H]1C(=O)NC[C@H]1CCN1C(=O)C#CC1CC1 951602566 NRNDMFPHQALTSQ-OLZOCXBDSA-N 303.362 -0.262 30 20 DBED Cn1nnc(C(=O)NC[C@@H]2CCN2C(=O)c2cc(C#N)c[nH]2)n1 951620544 KUHUGXJGDVAPGT-VIFPVBQESA-N 314.309 -0.946 30 20 DBED CCn1ncc(C(=O)N(C)C2CN(C(=O)C#CC3CC3)C2)n1 954215270 UKFPVPMUIHZTSU-UHFFFAOYSA-N 301.350 -0.006 30 20 DBED Cc1nc(O)[nH]c1C(=O)N(C)[C@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1O 958871090 FXINQZHXYLJTPC-JEZHCXPESA-N 321.337 -0.773 30 20 DBED C#CCN1C[C@H]2[C@H](NC(=O)c3ccc(-n4cncn4)nc3)[C@H]2C1 961434604 CLDRCRZQINGTBM-NHAGDIPZSA-N 308.345 -0.045 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2O)[nH]1 962328799 KWNRVHKCHZUFEG-KGLIPLIRSA-N 312.329 -0.399 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C2CN(C(=O)c3cocn3)C2)CC1 967243169 FDHYAOAZNRFDHO-LLVKDONJSA-N 317.349 -0.197 30 20 DBED N#CCN[C@@H]1CCN(C(=O)c2cccc(OCC(N)=O)c2)C1 968848007 RNIZQOHOEXRCGO-GFCCVEGCSA-N 302.334 -0.122 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cnnc1O 968875987 YLHBFMHTMKIIBH-GARJFASQSA-N 318.337 -0.655 30 20 DBED C=C[C@@](C)(CC)C(=O)N1C[C@H](O)[C@H](NC(=O)c2cnn(C)n2)C1 968884334 UIAZIFXYPJGHOY-XUJVJEKNSA-N 321.381 -0.281 30 20 DBED CC(C)n1cc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)nn1 970232577 QDJSHQGWUKUKAJ-FOGDFJRCSA-N 320.353 -0.680 30 20 DBED C#CCN[C@@H]1CCN(C(=O)Cn2nc3n(c2=O)CCCC3)C1 970429366 UUPKKNGNWIRTGU-GFCCVEGCSA-N 303.366 -0.795 30 20 DBED Cn1c(O)ncc(C(=O)N2C[C@H]3CC[C@H]2CN3CC#N)c1=O 971676463 ZDHZHYCGDSPOAA-ZJUUUORDSA-N 303.322 -0.702 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)CN3CCCCC3=O)[C@H]2C1 976805943 CKNHFZFJEOAHFR-FJJYHAOUSA-N 318.377 -0.268 30 20 DBED Cn1oc(C(=O)N2CC(NC(=O)c3c[nH]c(C#N)c3)C2)cc1=O 990928124 ITNXRGRDNHOFNE-UHFFFAOYSA-N 315.289 -0.568 30 20 DBED C=C(C)CN[C@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)CC1(C)C 995822480 CNVDEPKBLGLLJI-NSHDSACASA-N 320.397 -0.220 30 20 DBED N#Cc1cc(C(=O)N2CC(NC(=O)[C@H]3CC[C@H]3C(N)=O)C2)c[nH]1 997403753 GKKNFIKPVGKMFX-NEPJUHHUSA-N 315.333 -0.662 30 20 DBED C[C@H](NC(=O)[C@@H]1CC(=O)NC(=O)N1)C1CCN(CC#N)CC1 997781968 QSLSVUVDABSEPG-ONGXEEELSA-N 307.354 -0.675 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CCN([C@H]2CCNC2=O)CC1 1003056948 XFTVNSLATVISQT-GJZGRUSLSA-N 318.421 -0.447 30 20 DBED C[C@H](C#N)C(=O)N1CC([C@@H](C)NC(=O)c2nccnc2N)C1 1005836406 QNAGDBUSOLTXCL-RKDXNWHRSA-N 302.338 -0.205 30 20 DBED C#CCN1CCC(N(C)C(=O)CN2CC(=O)N(C)C2=O)CC1 1006284674 RDYDRTDXINJDKJ-UHFFFAOYSA-N 306.366 -0.564 30 20 DBED N#Cc1ccc(C(=O)N2C[C@H]3CC[C@H]2CN3C(=O)C(N)=O)[nH]1 1007261059 SIVQANIDPBLZNT-VHSXEESVSA-N 301.306 -0.813 30 20 DBED N#CCN1CCC[C@@H](NC(=O)CN2CCCCS2(=O)=O)C1 1007952798 NPOLGFDVRJOOLF-GFCCVEGCSA-N 314.411 -0.484 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C(=O)COc2cnn(C)c2)CC1 1012256873 NDLYJABTXKDVIH-LLVKDONJSA-N 305.338 -0.371 30 20 DBED C#CCCN1CC[C@H](NC(=O)[C@H]2CCc3nnnn3CC2)C1 1015731135 KFDSAWVXOKZWAA-STQMWFEESA-N 302.382 -0.161 30 20 DBED N#CCN1CCC2(CC1)C[C@H]2NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 1016833665 MXUJOGWMFFRCNR-QJPTWQEYSA-N 306.366 -0.486 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCN(C(=O)C[C@H]3CCC(=O)N3)C2)C1 1019363486 VMLGQBQUFOLENU-NWDGAFQWSA-N 318.377 -0.124 30 20 DBED Cc1ccc(CC(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2O)cn1 1023804460 PRLKOUXPPNMBIC-ZLKJLUDKSA-N 316.361 -0.220 30 20 DBED N#Cc1cc(C(=O)N2C[C@@H]3CC[C@@H](NCC(N)=O)[C@H]3C2)c[nH]1 1026244521 POFRMXNJJSZWQG-TVYUQYBPSA-N 301.350 -0.188 30 20 DBED C=CCCN1CCC[C@@H]1CNC(=O)[C@@H]1CCS(=O)(=O)N1 1028324842 DBRXPBVZPCJOTM-NEPJUHHUSA-N 301.412 -0.165 30 20 DBED C#CCN1CC[C@H](CNC(=O)[C@H]2CN3CC4CC3(CO2)C4)C1 1028698612 OABKHMLPVIKUKS-HCEZTOJASA-N 303.406 -0.079 30 20 DBED N#CCN1CC[C@H](CNC(=O)[C@@H]2COCCN2CC(F)F)C1 1028712642 WMFHEFQVWPVYQM-NEPJUHHUSA-N 316.352 -0.086 30 20 DBED C#CCN1[C@H]2CC[C@H]1CN(C(=O)[C@@H](C)N1C(=O)CCC1=O)C2 1029328814 BCPZTDOSJKVUPU-AGIUHOORSA-N 303.362 -0.168 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN([C@@H](C)C(=O)NC2CC2)C1 1030463549 PVTNXWHRNAIMBP-WFASDCNBSA-N 318.421 -0.449 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C[C@H](O)Cn2cccn2)C1 1030979310 JYLVMNLWAGVHJT-ZNMIVQPWSA-N 320.393 -0.365 30 20 DBED C=CCCn1cc(C(=O)NC2CN([C@H]3CCCNC3=O)C2)nn1 1031079005 ABOCBRHTDFTVNW-ZDUSSCGKSA-N 318.381 -0.453 30 20 DBED C#Cc1ccc(C(=O)NCC2CN(CCS(C)(=O)=O)C2)cn1 1032137593 UKPDFUNECCLBPG-UHFFFAOYSA-N 321.402 -0.231 30 20 DBED N#CCN1CCO[C@@H](CNC(=O)[C@H]2CCc3n[nH]cc3C2)C1 1035575362 ZDJSDGCGICWICP-AAEUAGOBSA-N 303.366 -0.145 30 20 DBED C#CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)Cn1c(C)cc(C)nc1=O 1037641120 NQIBMDDJVYFYBK-IPYPFGDCSA-N 300.362 -0.318 30 20 DBED C#CCN[C@H]1CCN(C(=O)CN2CC(=O)N(C)C2=O)C[C@H]1CC 1037965713 KVWPAJHWXJJUJL-OLZOCXBDSA-N 320.393 -0.270 30 20 DBED Cn1nnnc1CN1CC[C@H]1CNC(=O)c1cc(C#N)c[nH]1 1038150850 GCEKMGHQXQBEBC-JTQLQIEISA-N 300.326 -0.586 30 20 DBED C#CCN1CCC(C(=O)NC[C@@H]2CCN2[C@@H]2CCNC2=O)CC1 1039041459 CVPVNGCOBJVIHX-LSDHHAIUSA-N 318.421 -0.589 30 20 DBED C#CCCCC(=O)N1CC[C@](O)(CNC(=O)c2ncn(C)n2)C1 1039619898 TVANPDCLLKVKTA-HNNXBMFYSA-N 319.365 -0.688 30 20 DBED CC(C)C#CC(=O)NC[C@]1(O)CCN(C(=O)c2csnn2)C1 1039665377 KQPKIKOHUFOKGU-CQSZACIVSA-N 322.390 -0.109 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@]1(O)CCN(C(=O)c2cc[nH]n2)C1 1039722207 TUFDHTRFVNVNHL-IAQYHMDHSA-N 320.349 -0.859 30 20 DBED Cc1cc(C#N)nc(NC[C@@H]2CN(C(=O)C(N)=O)CCCO2)n1 1041525353 LQQQRIBFKBZYHS-LLVKDONJSA-N 318.337 -0.829 30 20 DBED Cc1ncc(C(=O)N2CC(O)(CNC(=O)CSCC#N)C2)[nH]1 1041569401 WVWVDTBOBHRNFE-UHFFFAOYSA-N 323.378 -0.722 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(O)CN(C(=O)c2cnc(C)[nH]2)C1 1042806567 HZJZMRCNHVOQIA-CQSZACIVSA-N 322.365 -0.652 30 20 DBED O=C(C#CC1CC1)NCC1(O)CN(C(=O)c2ccc(F)cn2)C1 1042958979 QZKXGPSOGBYUKI-UHFFFAOYSA-N 317.320 -0.063 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2nocc2C)C1 1043041646 JLNPUTXLRIFWSA-NSHDSACASA-N 321.333 -0.676 30 20 DBED C=C(C)CCC(=O)NCC1(O)CN(C(=O)Cn2cccn2)C1 1043310445 DZBMPISBFGUTAT-UHFFFAOYSA-N 306.366 -0.071 30 20 DBED N#Cc1cccnc1N1C[C@H](O)[C@H](NC(=O)c2cccnn2)C1 1044132946 PQCLXCLWIZSIGP-OLZOCXBDSA-N 310.317 -0.277 30 20 DBED C=C(C)C(C)(C)C(=O)NCC1(O)CN(C(=O)c2nc[nH]n2)C1 1044405229 URGZOMDMQGVHNC-UHFFFAOYSA-N 307.354 -0.290 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)c2ncccn2)C1 1045208504 BXXONFDDSPQQMQ-UHFFFAOYSA-N 302.334 -0.417 30 20 DBED C#CCN1CC[C@@H](N2CCN(C(=O)C[C@H]3COC(=O)C3)CC2)C1 1046020101 NJJTWULHOMHWCQ-HUUCEWRRSA-N 319.405 -0.209 30 20 DBED Cn1nnc(CN2CC[C@](C)(NC(=O)c3cc(C#N)c[nH]3)C2)n1 1046223746 NJBCTTUWJZMSFU-AWEZNQCLSA-N 314.353 -0.196 30 20 DBED N#Cc1nc(=N[C@H]2C[C@H](CNC(=O)[C@@H]3COCCO3)C2)cc[nH]1 1046729058 VCXASECEAIMEHA-SRVKXCTJSA-N 317.349 -0.508 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@@H](N(C)C(=O)[C@@]2(C)CNC(=O)C2)C1 1047468632 MYEAKMOVHASANK-COPLHBTASA-N 315.801 -0.231 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cn(CC3CC3)nn2)C1 1047581040 GYPPKDANTLDBPZ-KBPBESRZSA-N 303.366 -0.562 30 20 DBED C#CCCN1C[C@H]2CN(C(=O)CN3CCN(C)C(=O)C3)C[C@H]2C1 1048905596 CUYQEZJZBYDDQE-GASCZTMLSA-N 318.421 -0.826 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)C(=O)C(C)(C)C)C[C@@H]1O 1049389582 ZAEFSCBWBBLSJC-DCAQKATOSA-N 309.366 -0.209 30 20 DBED N#CCN1CCOC[C@@H]1CNC(=O)c1nccn2ccnc12 1051122008 ZPQWYGOKHBQKPO-NSHDSACASA-N 300.322 -0.317 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)c1nc2nccc(C)n2n1 1051235536 PPZICAYTBLPDOI-LBPRGKRZSA-N 314.349 -0.503 30 20 DBED CC(=O)N1CC(C(=O)N2CC[C@@H](N3CCN(CC#N)CC3)C2)C1 1052018498 KOJALPMEKVCFIG-OAHLLOKOSA-N 319.409 -0.793 30 20 DBED N#Cc1c[nH]ccc1=NC1CC(CNC(=O)[C@H]2CNC(=O)N2)C1 1052073230 VAKZVQYIXWYFBT-QEIKUCIBSA-N 314.349 -0.637 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)c1cnn(C)c1N)CCO2 1053228272 KRFUOTJATSZCDE-UHFFFAOYSA-N 303.366 -0.448 30 20 DBED CCCN1C[C@H](C(=O)N2CCOC3(CN(CC#N)C3)C2)CC1=O 1053451420 GURNTCFXSFBCNQ-CYBMUJFWSA-N 320.393 -0.318 30 20 DBED CC#CCN1CC2(CC[C@H](CNC(=O)C3CN(C(C)=O)C3)O2)C1 1053595089 YQKSZAVKKNTEBN-OAHLLOKOSA-N 319.405 -0.162 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)C3CCN(C(N)=O)CC3)CO2)C1 1054004051 GKOWRZYANYSJNY-GFCCVEGCSA-N 321.381 -0.740 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@](CO)(NC(=O)CN2CCCC2)C1 1055953960 LXSMPECXQBOGRM-XJKSGUPXSA-N 322.409 -0.288 30 20 DBED CC(=O)NCC(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)C#N 1056536739 APAMSFFACZYYQQ-WCFLWFBJSA-N 306.366 -0.126 30 20 DBED C=C[C@](C)(O)CC(=O)N(CCO)CCNC(=O)[C@@H](CC)OC 1057450635 VTJFLQPPSNJKOH-DOMZBBRYSA-N 316.398 -0.324 30 20 DBED C#CCO[C@H](C)C(=O)N(CCO)CCNC(=O)c1ccnn1C 1057583107 HBUYTJBLIIKKSE-GFCCVEGCSA-N 322.365 -0.991 30 20 DBED Cn1nnc(C(=O)N2CCC[C@@H](Nc3cnc(C#N)cn3)C2)n1 1057738340 QMTGENVWWWNNQZ-SECBINFHSA-N 313.325 -0.412 30 20 DBED C#Cc1ccccc1CC(=O)N(CCO)CCNC(=O)COC 1058261789 GPZMQOOGVNFBMD-UHFFFAOYSA-N 318.373 -0.206 30 20 DBED Cn1nncc1C(=O)N1[C@H]2CC[C@H]1CN(c1ccc(C#N)nn1)C2 1058752398 ZPSXNIRPXHGJQY-RYUDHWBXSA-N 324.348 -0.030 30 20 DBED CN1CCO[C@H](C(=O)N[C@H]2C[C@H](Nc3cncc(C#N)n3)C2)C1 1059172120 AULMEQBMZSAZGH-GVXVVHGQSA-N 316.365 -0.262 30 20 DBED N#Cc1ccc(N[C@H]2C[C@H](NC(=O)[C@H]3CC[C@@H]3C(N)=O)C2)nn1 1059368307 NRPBXUBMGMWYGJ-BJDJZHNGSA-N 314.349 -0.081 30 20 DBED C=CCn1cc(C(=O)N[C@H]2C[C@@H](N=c3cc[nH]c(C#N)n3)C2)nn1 1059849032 UHBLGMKFHCLAJX-PHIMTYICSA-N 324.348 -0.079 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](CNc2ccc3nnnn3n2)C1 1060824360 FEPDXHZBZJISNL-VHSXEESVSA-N 300.326 -0.061 30 20 DBED N#Cc1ccc(NC[C@@H]2CCN(C(=O)[C@H]3CNC(=O)N3)C2)cn1 1060972487 LQGUXCXHAKSZTM-GXFFZTMASA-N 314.349 -0.105 30 20 DBED Cn1cnc(C(=O)NC[C@@H]2CCCN2c2cncc(C#N)n2)n1 1061348750 LCCRHIBRCWNEEZ-NSHDSACASA-N 312.337 -0.124 30 20 DBED C=CCCOCC(=O)N1CCOC[C@H]1CNC(=O)[C@H](C)OC 1061366741 ALKPJJLNYMRFDH-QWHCGFSZSA-N 314.382 -0.042 30 20 DBED COCCC(=O)N1CCOC[C@@H]1CNC(=O)c1cc(C#N)c[nH]1 1061464042 AGUZXZCDXRADHX-LBPRGKRZSA-N 320.349 -0.120 30 20 DBED CC(C)C#CC(=O)N1CCOC[C@@H]1CNC(=O)[C@H](C)NC(N)=O 1061527065 QAMXSQABWLCQAZ-RYUDHWBXSA-N 324.381 -0.954 30 20 DBED C#CCCCC(=O)NC[C@H]1COCCN1C(=O)CCNC(N)=O 1061540446 LAKTYIHZOARASG-LBPRGKRZSA-N 324.381 -0.808 30 20 DBED Cn1nccc1C(=O)N1CCOC[C@@H]1CNC(=O)C#CC1CC1 1061570210 WFDVJJAMXHJFDE-ZDUSSCGKSA-N 316.361 -0.209 30 20 DBED N#CCSCC(=O)NCC1(NC(=O)CNC(N)=O)CCC1 1062578574 VSCKWDPHMKDXEN-UHFFFAOYSA-N 313.383 -0.933 30 20 DBED C#CCNC(=O)CC(=O)NC1(CNC(=O)[C@H](C)OC)CCC1 1062646328 WCOLOEYIEZPQQQ-NSHDSACASA-N 309.366 -0.684 30 20 DBED C#CCNC(=O)CC(=O)NC1(CNC(=O)[C@H](CC)OC)CCC1 1062675372 KEHBZTOXMHJBFZ-LBPRGKRZSA-N 323.393 -0.294 30 20 DBED C#CCNC(=O)CC(=O)NC1(CNC(=O)COCC=C)CCC1 1062702482 SEYQJJVAJRQMAK-UHFFFAOYSA-N 321.377 -0.516 30 20 DBED C#CCO[C@@H](C)C(=O)NC1(CNC(=O)CCNC(N)=O)CCC1 1063003992 TVPKHUUHTQIMIG-NSHDSACASA-N 324.381 -0.762 30 20 DBED N#Cc1nccnc1N1C[C@H]2C[C@H]1[C@H]2NC(=O)c1cnnc(O)c1 1064310548 XAWRTORZXKFEMK-CDMKHQONSA-N 323.316 -0.149 30 20 DBED C[C@]1(NC(=O)[C@@H]2CCC(=O)N2)CCN(c2ccnc(C#N)n2)C1 1065269464 OYRRJNCUEAEMHG-BONVTDFDSA-N 314.349 -0.288 30 20 DBED C[C@@H](Nc1cncc(C#N)n1)[C@@H]1CCN(C(=O)CC(N)=O)C1 1065685183 VOZRJGNMOBFHNK-NXEZZACHSA-N 302.338 -0.127 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H](NC(=O)CCn2cnnn2)CC1 1066442756 FEGPKJWDXAESSG-RYUDHWBXSA-N 319.369 -0.280 30 20 DBED N#Cc1nccnc1N1CCOC[C@@H]1CNC(=O)c1cnn[nH]1 1066530331 CWFDJCNPFIDDHK-VIFPVBQESA-N 314.309 -0.898 30 20 DBED C=CC(C)(C)C(=O)N1CCOC2(CN(C(=O)CC(=O)NC)C2)C1 1068423011 BEDBURNQWKXKQH-UHFFFAOYSA-N 323.393 -0.226 30 20 DBED C=CCCC(=O)N[C@@H]1COC2(C1)CN(C(=O)[C@H](C)CC(N)=O)C2 1068756580 DWVYXVIQEBBQDH-NEPJUHHUSA-N 323.393 -0.050 30 20 DBED CCC1(NC(=O)c2ccc(C#N)[nH]2)CCN(C(=O)C(N)=O)CC1 1069577847 DGDOWFPRRFPSPF-UHFFFAOYSA-N 317.349 -0.127 30 20 DBED C=CCN[C@@H]1CN(C(=O)c2ccc(O)nn2)C[C@@H]1n1ccnn1 1070130054 NZIPIRPCEWHPOR-NEPJUHHUSA-N 315.337 -0.385 30 20 DBED Cn1cnc([C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2NCCO)c1 1070491749 CZDBSZWNWZFAAQ-DZGCQCFKSA-N 302.378 -0.290 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CCCN(C(=O)Cn2ncnn2)C1 1070775894 WSCIZKRSHQFMPK-GFCCVEGCSA-N 304.354 -0.560 30 20 DBED C[C@@]1(C(=O)N2C[C@@H]3C[C@@H]4CN(CC#N)C[C@]3(C2)O4)CCNC1=O 1070854238 XBURNTPRNRYXOJ-UAXWRAGISA-N 318.377 -0.662 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)c2cccn2C)CC1 1070940841 XXZXBGFNNYGJIJ-UHFFFAOYSA-N 302.378 -0.078 30 20 DBED C#CCCCCC(=O)N1C[C@H](C)[C@@H](NC(=O)c2nnn(C)n2)C1 1071930282 ZIGAQSKPBJSPCQ-RYUDHWBXSA-N 318.381 -0.020 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CN(C(=O)C#CC(C)C)C[C@H]1C 1072035456 LVZOEKXUSQBLCE-KGLIPLIRSA-N 317.389 -0.252 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)CCNC(N)=O)C[C@@H]1C 1072067070 RADODBVVGJMRJJ-WDEREUQCSA-N 312.370 -0.790 30 20 DBED C#CCN1C[C@@H](NC(=O)c2cn(C)c(=O)nc2O)CC[C@H]1C 1072071188 WLPVOWUNBZSBKW-MNOVXSKESA-N 304.350 -0.298 30 20 DBED C[C@@H](C#N)C(=O)NC1(C)CCN(C(=O)Cn2cncn2)CC1 1073265967 SQFFGJAIDKUOLQ-NSHDSACASA-N 304.354 -0.065 30 20 DBED C#CCCN1CCCO[C@H](CNC(=O)[C@@H]2CN(CC)CCO2)C1 1073896630 WPPAEXNVHBUGDD-CVEARBPZSA-N 323.437 -0.063 30 20 DBED C#CCCN1CCO[C@H]2CCN(C(=O)Cc3n[nH]c(C)n3)C[C@@H]21 1074237679 DAVXRFWIFVWABT-KBPBESRZSA-N 317.393 -0.019 30 20 DBED C=CCn1cc(C(=O)N2CC[C@@H]3OCCN(CC#N)[C@@H]3C2)nn1 1074352990 AFLDHGHUFXEVMQ-KGLIPLIRSA-N 316.365 -0.097 30 20 DBED C=CCCC(=O)NCC[C@H](C)NC(=O)[C@@H]1CC(=O)NC(=O)N1 1075885522 BCCDESZBVREBLD-UWVGGRQHSA-N 310.354 -0.438 30 20 DBED C=C[C@](C)(O)CC(=O)NCC[C@H](C)NC(=O)Cn1ncnn1 1076304943 JGMSJWXUSCZCAZ-GWCFXTLKSA-N 310.358 -0.989 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2cncn2C)C1 1077691269 QMFSVTSCTBYFRE-RGCMKSIDSA-N 302.378 -0.292 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCCN2C(N)=O)C1 1077981658 WFWNDPFNGVXSEW-JHJVBQTASA-N 310.398 -0.343 30 20 DBED Cc1conc1C(=O)N1C[C@@H](O)[C@@H](CNC(=O)C#CC2CC2)C1 1081471729 RLOPXYSEVHESQL-QWHCGFSZSA-N 317.345 -0.054 30 20 DBED O=C(Cc1ccc[nH]1)NC[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1081526450 UDKXHKHVLRTYKA-UKRRQHHQSA-N 315.373 -0.094 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)Cn2ccnc2)C1 1081577172 JZTOXYQSQWHHMM-CHWSQXEVSA-N 306.366 -0.215 30 20 DBED COCC1(C(=O)NC[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2O)CC1 1081597964 LTGSEKJRXDTJFN-KGLIPLIRSA-N 320.389 -0.238 30 20 DBED CC#CCN1C[C@@H](NC(=O)c2ccn(C)c(=O)c2)[C@H](OC)C1 1081861293 CWXCXYCDTSFLQU-ZIAGYGMSSA-N 303.362 -0.162 30 20 DBED NC(=O)NCC(=O)NC[C@@H]1CCCCN1C(=O)C#CC1CC1 1082065938 RVDYFBZXNMUDGJ-LBPRGKRZSA-N 306.366 -0.435 30 20 DBED N#CCN1CC[C@@H]2CN(C(=O)CCn3cnccc3=O)[C@@H]2C1 1084743819 GRZSFAPQESXTAE-CHWSQXEVSA-N 301.350 -0.310 30 20 DBED C=C(C)CN1CC[C@@H]2CN(C(=O)c3cn(CC(N)=O)nn3)[C@@H]2C1 1084852829 PNGWWBPGIYHQHU-DGCLKSJQSA-N 318.381 -0.514 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2ccn(C)n2)C[C@H]1c1cnn(C)c1 1087009608 PADIRVIEEAZYEA-DZGCQCFKSA-N 312.377 -0.015 30 20 DBED N#Cc1cccnc1N1CCCO[C@H](CNC(=O)C(N)=O)C1 1089555200 OPOLQMKDCVLQKI-LLVKDONJSA-N 303.322 -0.850 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2cnn3ccncc23)[C@@H](O)C1 1090327946 WBQOPLQVFGFBIO-ZFWWWQNUSA-N 313.361 -0.082 30 20 DBED COCCCC(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1O 1090375054 JKOIKBUWLVVPKE-GHMZBOCLSA-N 305.338 -0.559 30 20 DBED N#CCN1CC[C@@H](NC(=O)Cn2nnc3c2CCCC3)[C@@H](O)C1 1090574721 WLEZVCAKISNRGS-OCCSQVGLSA-N 318.381 -0.768 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(c2ncccn2)C[C@H]1OC 1090922079 WZNNCFRINZFVQZ-YNEHKIRRSA-N 304.350 -0.165 30 20 DBED CC(=O)N[C@H](C)C(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@@H]1O 1091064874 SJETZMSQGYZBCW-WQAKAFBOSA-N 317.349 -0.856 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(c2cc(OCC)ncn2)C[C@@H]1O 1091081509 BJRYQTNBYUOYCY-NEPJUHHUSA-N 322.365 -0.256 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(c2cccc(F)n2)C[C@@H]1O 1091094006 DYZJOKGWQFDKHM-MNOVXSKESA-N 320.324 -0.974 30 20 DBED Cn1nncc1C(=O)N1CCC(OC2CN(CC#N)C2)CC1 1093532766 HZMOAKBHMUKJFE-UHFFFAOYSA-N 304.354 -0.356 30 20 DBED Cc1cc(=NCCNC(=O)[C@H]2CCCC(=O)N2)c(C#N)c[nH]1 1093959887 TUGPTAADFWHOPO-GFCCVEGCSA-N 301.350 -0.120 30 20 DBED N#Cc1sc(NCCNC(=O)[C@H]2CNC(=O)N2)nc1Cl 1094104150 BWUMUHSYPGDMEG-RXMQYKEDSA-N 314.758 -0.122 30 20 DBED CC[C@@]1(C(=O)NCCNc2ccc(C#N)nn2)CCNC1=O 1094219123 QKJBDCOHFIJLKV-CQSZACIVSA-N 302.338 -0.207 30 20 DBED C=CCCN1CC(N2C[C@@H](NC(=O)c3[nH]nnc3C)CC2=O)C1 1094772432 SYQBEFVDVGPVLF-NSHDSACASA-N 318.381 -0.296 30 20 DBED N#Cc1nc(=NCCCNC(=O)c2ccnc3[nH]nnc23)cc[nH]1 1094896759 RYNNMDDBFBRKCF-UHFFFAOYSA-N 323.320 -0.332 30 20 DBED CCC(=O)NCC(=O)N1CC[C@@H](Nc2nccnc2C#N)C1 1095025811 XWTUMBDRZGETCH-SNVBAGLBSA-N 302.338 -0.113 30 20 DBED CN1CCO[C@H](C(=O)NCCCN(C)c2ccc(C#N)nn2)C1 1095521548 JCHWQABGHVJJPP-ZDUSSCGKSA-N 318.381 -0.379 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cnc(O)n(C)c1=O 1097630669 MWCZQDQLMFCNOV-JLLWLGSASA-N 302.334 -0.546 30 20 DBED C[C@@H](CNC(=O)CCn1ccnn1)Nc1nccnc1C#N 1097780274 UMZRFJGOTUBULH-JTQLQIEISA-N 300.326 -0.053 30 20 DBED CC[C@@H](NC(C)=O)C(=O)NC[C@@H](C)N=c1cc[nH]c(C#N)n1 1098279374 UVLFOWYEKJTONZ-MWLCHTKSSA-N 304.354 -0.399 30 20 DBED C#CCN(CCO)C1CCN(C(=O)[C@H](CC)NC(C)=O)CC1 1098485005 HJMCTFUNAWFDSP-HNNXBMFYSA-N 309.410 -0.180 30 20 DBED CC(=O)N1CC[C@@H](C(=O)N2CCC(N(CC#N)CCO)CC2)C1 1098547563 AJESMJYHWHTLOC-CQSZACIVSA-N 322.409 -0.336 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H]1CCC[C@H](NC(=O)CNC(N)=O)C1 1098590671 VGQZERPCOIECHZ-NEPJUHHUSA-N 316.365 -0.117 30 20 DBED Cc1ccoc1C(=O)N[C@@H]1CCN(CC(=O)NCC#N)C[C@@H]1O 1099662717 CNNRXPDRUCPEJQ-NEPJUHHUSA-N 320.349 -0.607 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)c2ccon2)[C@@H](O)C1 1099706946 KGDDQMUFQPPAHX-JQWIXIFHSA-N 308.338 -0.858 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)/C(C)=C/CC)[C@@H](O)C1 1099721119 OKHRHQPUVNXFNQ-DCOFTTSXSA-N 307.394 -0.357 30 20 DBED CCNC(=O)CN1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)[C@H](O)C1 1099775872 LEHQXLAHYCUMNO-WCQYABFASA-N 319.365 -0.813 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CCN(CCNC(=O)C2CC2)C[C@H]1O 1099826246 IJTIHFNCZNOOMO-HUUCEWRRSA-N 319.405 -0.523 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)c2ccnnc2)[C@@H](O)C1 1100014033 XBHKCYYWIKVWJL-KBPBESRZSA-N 306.366 -0.156 30 20 DBED CCOCCOCCCC(=O)N[C@@H]1CCN(CC#N)C[C@H]1O 1100076164 HKJQPJULQYOSPO-ZIAGYGMSSA-N 313.398 -0.105 30 20 DBED CCN(CCNC(=O)[C@H]1CCNC(=O)C1)c1cncc(C#N)n1 1100498856 KIUKLUSEOXGHSB-NSHDSACASA-N 316.365 -0.183 30 20 DBED CCN(CCNC(=O)[C@H](C)NC(N)=O)c1ccncc1C#N 1100500888 HTTFYZXXFGUAMJ-JTQLQIEISA-N 304.354 -0.047 30 20 DBED COCC#CCNC1CC(CNC(=O)C[C@@H]2CC(=O)NC2=O)C1 1101083110 NWULRQXBIZJNPN-OTTFEQOBSA-N 321.377 -0.827 30 20 DBED N#Cc1cncc(N(CCNC(=O)Cn2nccn2)C2CC2)n1 1101395177 BAIPXLQDVFLQDR-UHFFFAOYSA-N 312.337 -0.275 30 20 DBED C[C@@H]1CN([C@@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)C#CC1CC1 1101951215 GHGIGDQAGYQPMT-MRVWCRGKSA-N 317.389 -0.111 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(C#N)n1 1102547929 VSBFAMPFCRAJLB-RYUDHWBXSA-N 324.344 -0.723 30 20 DBED C[C@H](CNC(=O)CCNC(N)=O)CNc1cncc(C#N)n1 1103967539 HWROFZBGLWIZPS-VIFPVBQESA-N 305.342 -0.429 30 20 DBED C#CCNCC[C@@H]1CN(C(=O)Cn2ccc(O)nc2=O)C[C@H]1C 1104393977 JUKGVRPBPRAOSQ-CHWSQXEVSA-N 318.377 -0.344 30 20 DBED C=CCNCc1cn(C2CN(C(=O)c3cnn(C)c3)C2)nn1 1105153462 TZOZYVRADJOLLW-UHFFFAOYSA-N 301.354 -0.016 30 20 DBED C#CCNCc1cn(C2CN(C(=O)[C@H]3CCCCO3)C2)nn1 1105211748 XWMAWHUSFFNFPA-CQSZACIVSA-N 303.366 -0.047 30 20 DBED C#CCNCc1cn(C2CN(C(=O)CCCC(N)=O)C2)nn1 1105383127 UAYKMYNAEXPZDA-UHFFFAOYSA-N 304.354 -0.960 30 20 DBED CN(C)CCOCC(=O)N(C)CCN(C)c1cncc(C#N)n1 1105430123 BOVIHUGHFLGDSM-UHFFFAOYSA-N 320.397 -0.179 30 20 DBED Cc1nnsc1C(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1 1105743355 AFKZZZVEHLBPMM-MRVPVSSYSA-N 319.350 -0.867 30 20 DBED COCC(C)(C)C(=O)NC[C@H](O)CN=c1cc[nH]cc1C#N 1106023110 LOIRKLCYXXPLNI-GFCCVEGCSA-N 306.366 -0.063 30 20 DBED CCc1n[nH]cc1C(=O)NC[C@@H](O)CNc1nccnc1C#N 1106162658 DZQWLQHLMMFIBG-VIFPVBQESA-N 315.337 -0.163 30 20 DBED C[C@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)CN1CCCC1=O 1106195411 WGSRLTBMZPEPKK-LLVKDONJSA-N 316.365 -0.301 30 20 DBED C[C@H](CCNc1ccc(C#N)nn1)NC(=O)C1(C(N)=O)CC1 1106549777 HEKRQWDLYXFOQS-SECBINFHSA-N 302.338 -0.080 30 20 DBED N#Cc1c[nH]ccc1=NC/C=C\CNC(=O)[C@H]1COCCO1 1107050705 JOSSUNORLOOKRQ-DDGIKZQJSA-N 302.334 -0.125 30 20 DBED CCCC(=O)NCC(=O)NCc1cn(C2CN(CC#N)C2)nn1 1107140786 VHAFMEMXFXTFMA-UHFFFAOYSA-N 319.369 -0.809 30 20 DBED C#CCN1CC(n2cc(CNC(=O)[C@H](C)NC(=O)CC)nn2)C1 1107173378 ACFNJQZYPOGRDP-NSHDSACASA-N 318.381 -0.701 30 20 DBED C#CCOCCC(=O)NC[C@]1(C)CN(Cc2cnon2)CCO1 1107940710 WYMGCOOPBZDNQQ-OAHLLOKOSA-N 322.365 -0.183 30 20 DBED C#CCC1(C(=O)NC[C@]2(C)CN(CC(N)=O)CCO2)CCC1 1107990647 JCOOXYGFGGMMIN-OAHLLOKOSA-N 307.394 -0.128 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)c1cn(C)c(O)n1 1108084136 WFLQPHWSFDWXNG-MRVPVSSYSA-N 301.310 -0.560 30 20 DBED C[C@]1(CNC(=O)Cn2ccccc2=O)CN(CC#N)CCO1 1108388760 DFOFAZMZUAVBHL-HNNXBMFYSA-N 304.350 -0.421 30 20 DBED CCC[C@@H](NC(N)=O)C(=O)N[C@@H](C)CN=c1cc[nH]c(C#N)n1 1108468313 BWCQAPOWTABVTM-VHSXEESVSA-N 319.369 -0.476 30 20 DBED C#CCO[C@H](C)C(=O)N1CCN(CC)[C@H]2CS(=O)(=O)C[C@H]21 1108474340 OBTFJRGRUDNAPI-FRRDWIJNSA-N 314.407 -0.646 30 20 DBED C=CCC(C)(C)C(=O)N[C@@H]1CC(=O)N(C2CN(CCO)C2)C1 1108574762 APMRECKBRRRNDE-GFCCVEGCSA-N 309.410 -0.018 30 20 DBED C[C@H](CN(C)c1cnc(C#N)cn1)NC(=O)CCn1cnnn1 1109054395 ULQGUXDWXUWVPZ-SNVBAGLBSA-N 315.341 -0.634 30 20 DBED C[C@H](CN(C)c1nccnc1C#N)NC(=O)[C@@H]1CC(=O)N(C)C1 1109296229 UDJAPKVGWYQWRM-GHMZBOCLSA-N 316.365 -0.233 30 20 DBED COC[C@@H](OC)C(=O)N(C)CCCN=c1cc[nH]c(C#N)n1 1109605007 IZWAJOTWRFZOSA-LLVKDONJSA-N 307.354 -0.308 30 20 DBED CC(=O)N[C@@H](C)C(=O)N[C@@H](CN=c1cc[nH]c(C#N)n1)C1CC1 1109750855 OSBDCNHJVIHMKQ-CABZTGNLSA-N 316.365 -0.399 30 20 DBED CO[C@H](C)CC(=O)NC[C@@]1(O)CCN(c2ccnc(C#N)n2)C1 1111045609 OSVKYOZLUDYQNG-ABAIWWIYSA-N 319.365 -0.169 30 20 DBED C=CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CNS(=O)(=O)N(C)C 1111075227 SFPFFQUFBMWDIU-UTUOFQBUSA-N 316.427 -0.710 30 20 DBED C[C@H](N=c1cc[nH]cc1C#N)[C@H]1CCN(C(=O)CNC(N)=O)C1 1111205397 KUBXHKRXUINHOC-QWRGUYRKSA-N 316.365 -0.308 30 20 DBED C[C@H]1C[C@@H](NC(=O)CC(N)=O)CCN1c1ccnc(C#N)n1 1112460653 XNXJOSGNHWVNFX-UWVGGRQHSA-N 302.338 -0.303 30 20 DBED C=CCNC(=O)NC(=O)CN1CCN(C(=O)[C@H]2CCOC2)CC1 1112662754 DARRMSSEMPHOQK-LBPRGKRZSA-N 324.381 -0.821 30 20 DBED CCc1nc(C#N)cc(N(C)[C@H](C)CNC(=O)CC(N)=O)n1 1113567589 XHXVPHGFCOCZJF-SECBINFHSA-N 304.354 -0.273 30 20 DBED O=C(C#CC1CC1)NC1[C@H]2CN(CC(=O)NCC3CC3)C[C@H]12 1114253611 RHAIOFOXYMSKJC-KBPBESRZSA-N 301.390 -0.028 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)CC3(COC)CC3)[C@H]2C1 1114261022 XHLXXILZDODYGM-STQMWFEESA-N 319.405 -0.401 30 20 DBED C=CCN1C[C@H]2C(NC(=O)CS(=O)(=O)N(CC)CC)[C@@H]2C1 1114904662 YAKISDNNAHDYOR-VXGBXAGGSA-N 315.439 -0.110 30 20 DBED COCC#CCN1C[C@@H]2C(NC(=O)c3cnn(C)c3OC)[C@H]2C1 1115172042 KZKCCLXYAMRZNK-STQMWFEESA-N 318.377 -0.262 30 20 DBED CC#CCCNC(=O)C(=O)N[C@H]1CCC[C@@H](S(C)(=O)=O)C1 1117470765 SIRKUFLCFACWLL-NWDGAFQWSA-N 314.407 -0.012 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)NCC1(N2CCOCC2)CC1 1117544086 KDFIYKRTBGVATF-GFCCVEGCSA-N 311.382 -0.715 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)C(=O)NCCC[C@H]2CCOC2)C1 1118225355 DZLSADZYPCSYSL-SWLSCSKDSA-N 309.366 -0.204 30 20 DBED C=C(C)CN(C)C(=O)C(=O)Nc1ccn(CC(=O)N(C)C)n1 1118797436 NAZFAZDUIFIZJN-UHFFFAOYSA-N 307.354 -0.056 30 20 DBED N#Cc1cncc(N[C@H](CO)CNC(=O)[C@H]2CCCOC2)n1 1121203813 AZQWBYAUKPKQEE-JQWIXIFHSA-N 305.338 -0.336 30 20 DBED C=CCO[C@@H](C)C(=O)NC[C@H](CO)Nc1cc(C)nc(CO)n1 1121749838 TVPSYHIIZUIAEU-NWDGAFQWSA-N 324.381 -0.243 30 20 DBED CC[C@H](C(=O)NC[C@@H](CO)Nc1cncc(C#N)n1)N(C)C 1121811842 HMQVVZFTZBHZGY-NWDGAFQWSA-N 306.370 -0.423 30 20 DBED Cc1ccc(C#N)c(N[C@@H](CO)CNC(=O)[C@@H]2CCNC2=O)n1 1122353604 CFNZIGQEEWLNFI-VXGBXAGGSA-N 317.349 -0.713 30 20 DBED C#Cc1cccc(NC(=O)CNCCNC(=O)CNC(C)=O)c1 1122675153 JFBKMGOOKDILRU-UHFFFAOYSA-N 316.361 -0.552 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)c2ccc(O)nn2)C1=O 1123095453 LWZNKGUBCJDBBO-LLVKDONJSA-N 305.338 -0.712 30 20 DBED C[C@@H]1[C@H](NC(=O)CC(N)=O)CCCN1c1cnc(C#N)cn1 1123522690 LYCIDFXTUGZNCX-MWLCHTKSSA-N 302.338 -0.303 30 20 DBED Cc1cc(C(=O)N(C)C[C@@H](O)CNc2ccc(C#N)nn2)n[nH]1 1124096116 DNZKYHFNOTXDJD-NSHDSACASA-N 315.337 -0.075 30 20 DBED CC[C@@H](C)OCC(=O)N(C)C[C@@H](O)CN=c1cc[nH]c(C#N)n1 1124250693 LKUAUYIKBUTMPZ-NEPJUHHUSA-N 321.381 -0.184 30 20 DBED C=CC(C)(C)C(=O)N(C)C[C@@H](O)CNc1nccn2nnnc12 1124683924 UERWWLVOTZICLU-JTQLQIEISA-N 319.369 -0.037 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)Cc1cnoc1 1124689530 SXFDAOQIRRDCNJ-NSHDSACASA-N 316.321 -0.768 30 20 DBED Cc1cc(=O)n2nc(CNCCNC(=O)[C@H](C)C#N)sc2n1 1124908363 JAMMSTCJOMKOOW-MRVPVSSYSA-N 320.378 -0.175 30 20 DBED CN(C[C@@H](O)CN(C)c1cncc(C#N)n1)C(=O)CC(C)(C)O 1125100805 UWWJLNDOPNPUHK-LBPRGKRZSA-N 321.381 -0.235 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C[C@H](O)CN(C)c1nccnc1F 1125162057 OVZRIPYCSGEFAV-VXGBXAGGSA-N 324.356 -0.091 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)C[C@H]1COC(=O)C1 1125675927 JIZCXHSWZAXEPT-GFCCVEGCSA-N 324.381 -0.592 30 20 DBED C#CCOCCC(=O)NCCNCC(=O)Nc1nncs1 1127031536 HDBVPJZAXFSJPM-UHFFFAOYSA-N 311.367 -0.778 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)[C@@H]2CC(=O)N(CC)C2)C1=O 1128649189 CHWVPCACCPFFRR-CHWSQXEVSA-N 322.409 -0.653 30 20 DBED C=CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H](C)NC(N)=O)C1 1128935310 UIKFAEHNLXYOOB-TUAOUCFPSA-N 321.385 -0.748 30 20 DBED C#CCCN[C@@H]1CN(C(=O)CC(C)(C)O)C[C@@H]1n1ccnn1 1129791900 RTYXUJZORFKCET-OLZOCXBDSA-N 305.382 -0.196 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)[C@H]2CCN(C)C(=O)C2)C1=O 1130364604 RFBBHHHIWGXIEA-STQMWFEESA-N 322.409 -0.653 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CCCN(C(C)=O)C1 1131016393 FODBZLOEUZJTEG-TZMCWYRMSA-N 324.425 -0.359 30 20 DBED C[C@H](NC(N)=O)C(=O)N1CCC([C@@H]2OCC[C@H]2NCC#N)CC1 1131480999 YJLCOIIJLMIVLV-UHTWSYAYSA-N 323.397 -0.448 30 20 DBED C#CCN1CC[C@@]2(C1)CN(C(=O)CNC(=O)CC)C[C@H](C)O2 1131645894 MTNILJNMKTXNJY-XJKSGUPXSA-N 307.394 -0.162 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)c1cccnc1C 1133106690 YONNXNKSZAJMLK-UHFFFAOYSA-N 319.365 -0.279 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)c1ccnnc1 1134291854 JNAWDAIZGXMPJL-JTQLQIEISA-N 320.353 -0.804 30 20 DBED COCC#CCN[C@H](C)C[C@H](C)NC(=O)CN1CC(=O)NC1=O 1135692266 HSZMKZPAFBCJEZ-NEPJUHHUSA-N 324.381 -0.939 30 20 DBED COCC#CCNCCNC(=O)CNC(=O)c1ccc(F)cc1 1149876018 YJJATANWSJOMMC-UHFFFAOYSA-N 321.352 -0.089 30 20 DBED C=CCCOCC(=O)NCCNCC(=O)NC[C@@H]1CCCO1 1153085668 GSCWEPJTPHGTCW-ZDUSSCGKSA-N 313.398 -0.420 30 20 DBED CCN(CC#CCOC)[C@H](C)CNC(=O)CCNC(=O)NC 1153180313 FDSRGHPMMKHLMH-CYBMUJFWSA-N 312.414 -0.218 30 20 DBED C#CCO[C@@H](C)C(=O)NCCCNCCCS(C)(=O)=O 1157879657 GWXIZIYJDBXTBM-LBPRGKRZSA-N 304.412 -0.445 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1c(Cl)n[nH]c1C 1159540235 KXEZBPBTWTZNRW-UHFFFAOYSA-N 311.773 -0.170 30 20 DBED C#CCN1CC=C(CCNC(=O)CN2CCNC(=O)C2)CC1 1160860613 KMCSSMPFMFUOOY-UHFFFAOYSA-N 304.394 -0.810 30 20 DBED C#CCNCCCNC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 1162996503 UEPXWLNFHSEHBC-CABCVRRESA-N 309.410 -0.405 30 20 DBED C#Cc1cncc(C(=O)NCCCNCc2nc(=O)n(C)[nH]2)c1 1166299258 ODNVNKQMGXRWBE-UHFFFAOYSA-N 314.349 -0.606 30 20 DBED C=CCNC(=O)CNCC1(CCNC(=O)[C@H](C)CC(N)=O)CC1 1166544409 FUAOPUKDLOTAPU-GFCCVEGCSA-N 324.425 -0.324 30 20 DBED C#CCNC(=O)[C@H](C)NCC1(CCNC(=O)c2nc[nH]n2)CC1 1167483823 IXONAJDCKHIGRS-NSHDSACASA-N 318.381 -0.568 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@@H]1CCCCN(C)C1=O 1171019243 OIGRDHGEUQWIDK-ZDUSSCGKSA-N 322.409 -0.910 30 20 DBED C=CCOCCNCCCNC(=O)c1cc(=O)n2[nH]cnc2n1 1171080628 YHYKZKJCTAZRBB-UHFFFAOYSA-N 320.353 -0.670 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)[C@H]1CCN(C(C)=O)C1 1174851688 YEGGYWNWUZZLMH-OCCSQVGLSA-N 322.409 -0.911 30 20 DBED C#CCNCCCC[C@H](C)NC(=O)C[C@H](NC(C)=O)C(N)=O 1175581939 WBYAKTCGDBNMHK-AAEUAGOBSA-N 310.398 -0.736 30 20 DBED C=CCOCC(=O)N1CC[C@H](NCCN2C(=O)CCC2=O)[C@@H]1C 1178332095 DLKRMJDNIBADPB-STQMWFEESA-N 323.393 -0.083 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2cc(C)[nH]n2)C1 1181287749 PXKFCCWUBGFOIP-VXGBXAGGSA-N 303.366 -0.340 30 20 DBED O=C1NC[C@@H](C(=O)N2CC[C@@H](NCC#Cc3ccccc3)C2)N1 1185257220 OVGREERSQSVXBD-CABCVRRESA-N 312.373 -0.090 30 20 DBED C=CCNC[C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)C[C@H]1C 1185327569 RHXTXHOIFKPKLM-NEPJUHHUSA-N 308.382 -0.202 30 20 DBED C#CCNC[C@@H]1CCN(C(=O)CN2CCC(=O)NC2=O)C[C@H]1C 1185446110 KGMJMLCJRMREAS-OLZOCXBDSA-N 320.393 -0.364 30 20 DBED NC(=O)NC(=O)CN1C[C@@H]2CCN(C(=O)C#CC3CC3)[C@@H]2C1 1187819683 HUTQVYJZEGKXFX-NWDGAFQWSA-N 304.350 -0.873 30 20 DBED Cc1nnccc1C(=O)N1CC[C@@H](N(C)CC(=O)NCC#N)C1 1191159854 BJYLDRFIEHYTGL-GFCCVEGCSA-N 316.365 -0.429 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)COCc2nnc(C)s2)C1 1194450902 JXTVHBSLFCWACP-VXGBXAGGSA-N 324.406 -0.452 30 20 DBED N#CCNC(=O)CN1CCCN(C(=O)C[C@@H]2CCOC2)CC1 1195382429 FHACANPEZIDGGY-ZDUSSCGKSA-N 308.382 -0.413 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)c2nccs2)C1 1197125230 ZQBWUAJMIDLQNG-GMTAPVOTSA-N 324.406 -0.391 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CCN(C(=O)[C@H]2CCCN2C)CC1 1199787725 CUUTUENHFKGQLP-UKRRQHHQSA-N 320.437 -0.201 30 20 DBED C#CCNC[C@H]1CN(C(=O)C(C)(C)N2CCOCC2)CCCO1 1201638780 CTAOJVFJPAWRSE-HNNXBMFYSA-N 323.437 -0.063 30 20 DBED N#CCNC(=O)CN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)c1cc[nH]n1)C2 1204004136 VXMOOTUBNREEFM-RAIGVLPGSA-N 316.365 -0.368 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)c1ccnc(F)c1 1206406774 APWBBFGVYNWNBU-ZYHUDNBSSA-N 319.340 -0.089 30 20 DBED C#CCNCC1CCN(C(=O)[C@@H](CCC(N)=O)NC(C)=O)CC1 1206608207 NCWUVHLXNLGMCM-CQSZACIVSA-N 322.409 -0.782 30 20 DBED C#CCNCC1CCN(C(=O)CN(C)S(=O)(=O)CC)CC1 1206736756 FDFSUKJGFNRYTJ-UHFFFAOYSA-N 315.439 -0.271 30 20 DBED C=CCCC(=O)N1CCC[C@H](NCC(=O)N2CCNC(=O)C2)C1 1207635711 MIAVKJMIEWLFDM-ZDUSSCGKSA-N 322.409 -0.508 30 20 DBED COCC1(C(=O)N2CCC[C@H](NCC(=O)NCC#N)C2)CC1 1208558737 RSTGJICUAJUNGX-LBPRGKRZSA-N 308.382 -0.367 30 20 DBED C[C@@H]1CCCN1CC(=O)N1CCC[C@H](NCC(=O)NCC#N)C1 1209633789 XYNDFWWKVNBVBZ-KGLIPLIRSA-N 321.425 -0.309 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)c2ccnc(C)n2)C1 1211111762 CJOJRRKSTLMRPJ-CYBMUJFWSA-N 315.377 -0.271 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)[C@@H](C)CCC)[C@H](OC)C1 1212053353 YWWNKTWFPMYVLC-BFHYXJOUSA-N 309.410 -0.013 30 20 DBED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)c1cc[nH]c1C 1212086782 GLHZZKOEPQNUJO-CHWSQXEVSA-N 319.365 -0.608 30 20 DBED CC#CCN1C[C@@H](NC(=O)COc2cnn(C)c2)[C@H](OC)C1 1213338054 OTCFDUNTUMMQIU-ZIAGYGMSSA-N 306.366 -0.362 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)C(=O)NCC(F)(F)F 1213642767 WCDYATFAYILJQZ-HTQZYQBOSA-N 308.260 -0.996 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NCCNS(C)(=O)=O 1214580162 UMQLOBPMWJQAKT-DGCLKSJQSA-N 313.423 -0.615 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CCOCC#C)C[C@H]1C 1214611072 NNVGUGMHYMUJPJ-RBSFLKMASA-N 319.405 -0.399 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)CN2CCCNC2=O)C[C@H]1C 1215054588 JXHNCYUGDBIDCO-ZIAGYGMSSA-N 322.409 -0.512 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H](C)C#N 1217528833 WEAQBPMAFFFYSS-RWMBFGLXSA-N 306.366 -0.640 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)C2CCC(O)CC2)C1 1219530427 DKVNBNNEJDJYJN-CVSAEHQPSA-N 312.410 -0.099 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(CCCCOC)C[C@@H]1O 1219536549 TYKJJNYLACMWBC-VNHYZAJKSA-N 300.399 -0.099 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)c2cn(C)ccc2=O)C1 1219980618 SWBVBHZGMVVWGP-HIFRSBDPSA-N 321.377 -0.637 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)C(C)(C)NC(C)=O)C1 1220563324 YJDDTQDEASXXRQ-MNOVXSKESA-N 303.790 -0.185 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)[C@@]2(C)CCCOC2)C1 1220623542 OCLRDHGOIRUDMX-YCPHGPKFSA-N 310.394 -0.386 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2cccn2CC)C1 1220980912 BJOYHXYIHKEOBN-OCCSQVGLSA-N 320.393 -0.415 30 20 DBED C=CCNC(=O)CN1CCC(CNC(=O)c2cnon2)CC1 1224895449 WDGGNXBARPYRBS-UHFFFAOYSA-N 307.354 -0.186 30 20 DBED CCN1CCS(=O)(=O)[C@@H](CCNC(=O)CSCC#N)C1 1230422095 GDMHMUSFCTYGKI-NSHDSACASA-N 319.452 -0.132 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)c1ccnn1CC 1233857127 ONFSGSKEUBIACS-ZDUSSCGKSA-N 317.393 -0.201 30 20 DBED C#CCCCC(=O)N(C)C[C@@H]1CCN1Cc1nc(=O)n(C)[nH]1 1233966248 KYIYUTQPKVEGHV-LBPRGKRZSA-N 305.382 -0.055 30 20 DBED N#CC1(NC(=O)COC(=O)[C@@H]2CCCS2(=O)=O)CCC1 1261559505 NVHGTLLRNCRGLS-VIFPVBQESA-N 300.336 -0.331 30 20 DBED C=CCCN(C)C(=O)C(=O)NC1CCN(CC(=O)NC)CC1 1321607944 JPEOAABNTKOBIQ-UHFFFAOYSA-N 310.398 -0.653 30 20 DBED C#CCCCCNC(=O)C(=O)NCC1(S(C)(=O)=O)CC1 1322969323 RPMGUGSTHCNNNE-UHFFFAOYSA-N 300.380 -0.401 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CC[C@H](OCCOC)C1)[C@H]1CCCO1 1323818902 BMVWXISKFRVVJX-MELADBBJSA-N 324.377 -0.453 30 20 DBED CC#CC[C@@H](CO)NC(=O)C(=O)Nc1nc2n(n1)CCCC2 1326835006 SZMYOFCLJMCMER-JTQLQIEISA-N 305.338 -0.557 30 20 DBED Cn1nc2c(c1NC(=O)C(=O)N1CC[C@](O)(CC#N)C1)CCC2 1328219030 BBWFCSIKYNSVSI-OAHLLOKOSA-N 317.349 -0.276 30 20 DBED C=C(Br)CNC(=O)C(=O)N[C@H]1C[C@@H](C(=O)O)C1 1332189453 YRFAYPMPSBBBPY-KNVOCYPGSA-N 305.128 -0.009 30 20 DBED C#CCN(C(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1)C(C)C 1333089599 RPARXKAMKFBNIW-HNNXBMFYSA-N 322.453 -0.144 30 20 DBED Cn1nnc(CNC(=O)C(=O)NCc2cc(C#N)ccc2F)n1 1333226602 FIVASMDGDLKCLD-UHFFFAOYSA-N 317.284 -0.847 30 20 DBED C#CCNC(=O)CN1CCN(c2nnnn2C2(C)CC2)CC1 1334496956 SSODWJZZDPTPQP-UHFFFAOYSA-N 303.370 -0.947 30 20 DBED C=CCS(=O)(=O)CCn1nnnc1N1CCSCC1 1335897627 YFEKAZSOMCYZGG-UHFFFAOYSA-N 303.413 -0.173 30 20 DBED C#CCN(C(=O)C(=O)N[C@@H]1CCc2nc(C)nn2C1)C(C)C 1354442240 NBDWCDPFPIIOPX-GFCCVEGCSA-N 303.366 -0.112 30 20 DBED C=C(C)CN(C)c1nnnn1C[C@H]1CCN(S(C)(=O)=O)C1 1355667397 ZQDGSYPZMTYGEP-NSHDSACASA-N 314.415 -0.033 30 20 DBED COC[C@H]1CCCN1C(=O)CCn1cc(C#N)c(O)nc1=O 1362776610 LLEADHSQRZVLJP-LLVKDONJSA-N 306.322 -0.152 30 20 DBED N#Cc1cn(CC(=O)N2CCO[C@@H](C(F)F)C2)c(=O)nc1O 1363332686 JXUPTNYJWRVGCV-MRVPVSSYSA-N 314.248 -0.687 30 20 DBED COC(=O)c1cccc(Cn2c(=O)c(C#N)c(C)n(C)c2=O)n1 1364310372 OZZSBGBGYXCFPU-UHFFFAOYSA-N 314.301 -0.043 30 20 DBED CN(C(=O)NCCn1cnc(C#N)n1)C1CCS(=O)CC1 1364607754 ONIZMFRALQXCQI-UHFFFAOYSA-N 310.383 -0.298 30 20 DBED N#Cc1ccc(N2CC[C@H](N3C[C@H](O)[C@@H](CO)C3)C2=O)cc1 1364725912 YMFBTKRBHXVKDO-SNPRPXQTSA-N 301.346 -0.051 30 20 DBED N#C[C@H]1CN(C(=O)NC[C@@H]2CCCS(=O)(=O)C2)CCO1 1365181497 LLIHNHOQGROJMQ-QWRGUYRKSA-N 301.368 -0.255 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)C2(NC(N)=O)CCCCC2)C1 1374642343 NYTPWGDFYYPALO-JTQLQIEISA-N 321.381 -0.156 30 20 DBED C=C(Br)CNC[C@H](O)CNC(=O)Cn1cncn1 1374681438 PDLILDWYZVUTOH-VIFPVBQESA-N 318.175 -0.747 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@](C)(NC(=O)Cn1cnnn1)C1CC1 1375329128 HXHJQGLYKWQQBR-TVQRCGJNSA-N 305.342 -0.766 30 20 DBED COCCN(CCNC(=O)[C@H](C)NC(C)=O)C(=O)[C@H](C)C#N 1383298101 WENSAOUREGUYSH-MNOVXSKESA-N 312.370 -0.738 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CCNC(=O)[C@@H]2COC(=O)N2)CC1 1388316722 UJJHMOANQOIVAY-PWSUYJOCSA-N 322.365 -0.001 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CCCCN2C(N)=O)C1 1397220610 CGUVLYNCDRMLJF-KKOKHZNYSA-N 321.381 -0.157 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNCc1nnc2n1CCCCC2 1401494457 KGLORAKNMSEEHZ-NEPJUHHUSA-N 320.397 -0.269 30 20 DBED CC(=O)NCC(=O)N[C@@H](CNC(=O)c1cc(C#N)c[nH]1)C1CC1 1407623387 SNUBJHGXNFJKOP-ZDUSSCGKSA-N 317.349 -0.353 30 20 DBED COCc1nn(C)cc1C(=O)NCCN(C)C(=O)[C@@H](C)C#N 1408606548 XALGAJCLIRPLID-JTQLQIEISA-N 307.354 -0.086 30 20 DBED CNC(=O)NCCC(=O)N[C@H](C)C1CN(C(=O)[C@@H](C)C#N)C1 1411933958 IDELSZQRYZGCET-VHSXEESVSA-N 309.370 -0.572 30 20 DBED C[C@H](C#N)C(=O)N(C)C1CCN(C(=O)Cn2ncnn2)CC1 1412282120 WFPFVZIZOLZCNH-SNVBAGLBSA-N 305.342 -0.718 30 20 DBED COCC(C)(C)C(=O)NC[C@@H](O)CNC(=O)c1cc(C#N)c[nH]1 1416754096 RGMWGMSDGWMQJH-NSHDSACASA-N 322.365 -0.234 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CN(C)CC(=O)NC(N)=O)CC1 1420932319 CEUZMSSCQYNTBS-SNVBAGLBSA-N 309.370 -0.489 30 20 DBED C=C(Cl)CN1CC[C@@](O)(CNC(=O)CNC(=O)NC)C1 1423764078 MKDWQNSPFILBJD-GFCCVEGCSA-N 304.778 -0.779 30 20 DBED C[C@@H](C#N)C(=O)N1CCCO[C@H](CNC(=O)Cc2ncc[nH]2)C1 1426302254 OWEJGWSTMDVZFS-NWDGAFQWSA-N 319.365 -0.154 30 20 DBED COc1cc(C#N)ccc1OCC(=O)N[C@@H]1C[C@H](O)[C@H](O)C1 1434375057 LQDYOBPWNKRNIT-ZSBIGDGJSA-N 306.318 -0.054 30 20 DBED C[C@@H]1CCCN(C(=O)Cn2cc(C#N)c(O)nc2=O)[C@@H]1CO 1434426115 XBRSIZFXEGZTPU-MWLCHTKSSA-N 306.322 -0.560 30 20 DBED CC(=O)N1CCC[C@@H](CNc2[nH]c(=O)n(C)c(=O)c2C#N)C1 1434446174 XUMXSKOENAADJI-JTQLQIEISA-N 305.338 -0.384 30 20 DBED C[C@H](C#N)C(=O)NC1CN(C(=O)C(C)(C)N2CCOCC2)C1 1450494371 KLJUAMPGUCNLHM-LLVKDONJSA-N 308.382 -0.416 30 20 DBED CC(C)[C@H](CNC(=O)CN1CCOCC1)NC(=O)[C@@H](C)C#N 1451935987 DQHASPPQVZBOFP-STQMWFEESA-N 310.398 -0.265 30 20 DBED CC(=O)NCC(=O)NC[C@H]1CN(C(=O)[C@@H](C)C#N)CCCO1 1452437730 RKKGKVULMKYJDA-JQWIXIFHSA-N 310.354 -0.984 30 20 DBED CC(=O)N(C)CC(=O)N[C@H](C)CNC(=O)c1cc(C#N)c[nH]1 1452446877 LLYUYWQMPNTKKS-SECBINFHSA-N 305.338 -0.401 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CCCN(C(=O)CCn2cncn2)C1 1453844777 GFOPNPVDHHAOSE-NEPJUHHUSA-N 304.354 -0.065 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@@H](O)CNC(=O)COCC2CC2)c1 1457922837 NKDDDFDDMFCLJS-LBPRGKRZSA-N 320.349 -0.480 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@]2(CCN(C(=O)CCNC(N)=O)C2)C1 1459149534 GTPQGBFDLCHKER-ABAIWWIYSA-N 321.381 -0.345 30 20 DBED CC(C)(O)CC(=O)N[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1O 1489332394 ZSBWBDBVIAKCBQ-VXGBXAGGSA-N 320.349 -0.651 30 20 DBED CC(C)[C@H](CNC(=O)CN1CCOCC1=O)NC(=O)[C@H](C)C#N 1532767676 YBUJSUMMKXHEPA-NEPJUHHUSA-N 324.381 -0.738 30 20 DBED COC(=O)[C@@H]1CC[C@H](C(=O)N2CCC(C#N)(C(=O)O)CC2)O1 1571106073 DTMAYXQRHHNBAU-ZJUUUORDSA-N 310.306 -0.076 30 20 DBED C=CC(C)(C)C(=O)N(CCO)CCNC(=O)[C@@H]1C[C@H]1C(=O)O 1573345344 QAGOYXNGZJWPRX-GHMZBOCLSA-N 312.366 -0.144 30 20 DBED C=C(C)[C@@H]1OCC[C@H]1CNS(=O)(=O)C[C@@H]1CNCCO1 1574832121 YCPZYOUQXNBZMG-AVGNSLFASA-N 304.412 -0.125 30 20 DBED CN1CC[C@@H](CNc2cnc(-c3nn[nH]n3)c(C#N)n2)CC1=O 1579347942 QWIIBLKVLPVXCK-MRVPVSSYSA-N 313.325 -0.191 30 20 DBED C#CC[C@H](NC(=O)[C@H](NC(=O)C1CCCC1)[C@@H](C)O)C(=O)O 1588398282 GIOYRCKCPMLINU-ADEWGFFLSA-N 310.350 -0.365 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)NC[C@@]1(C(=O)O)CCOC1 1589330789 QNZSUSMHPYMXKD-KOLCDFICSA-N 305.356 -0.596 30 20 DBED N#CC1(NC(=O)COC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCC1 1592670716 LVIDQVFMSVAYCP-UHFFFAOYSA-N 315.293 -0.086 30 20 DBED N#C[C@H]1CNCC12CC(C(=O)N1CCCNC[C@@H]1C(=O)O)C2 1601063742 YLBBMHKZWINUCZ-XWAURUHHSA-N 306.366 -0.599 30 20 DBED C#CCN(CC(=O)O)C(=O)[C@]1(c2ccccc2)CNC(=O)C1 1602682894 WHPGCQAQVLODSY-INIZCTEOSA-N 300.314 -0.009 30 20 DBED C=CCN1CC[C@@H](NC2(C(=O)O)CCS(=O)(=O)CC2)C1=O 1602901233 CNERARBSEGTZBR-SNVBAGLBSA-N 316.379 -0.605 30 20 DBED C=CCOC[C@H](NC(=O)c1ccc(C(=O)NC)nc1)C(=O)O 1602913254 MHYJQGCNSFZUTH-NSHDSACASA-N 307.306 -0.173 30 20 DBED C=CCOC[C@H](NS(=O)(=O)c1cn(C)nc1CC)C(=O)O 1602915453 NODHXECWZUTDBE-JTQLQIEISA-N 317.367 -0.083 30 20 DBED Cn1c(=O)[nH]c(N2CCC3(CC2)C[C@H]3C(=O)O)c(C#N)c1=O 1608076375 XFMRACWMCARZAV-VIFPVBQESA-N 304.306 -0.364 30 20 DBED N#CC1(CNC(=O)NCCn2cc(C(=O)O)nn2)CCOCC1 1608175422 XPOGXXFSGKUGJR-UHFFFAOYSA-N 322.325 -0.404 30 20 DBED N#CC1(CC(=O)NC2(C(=O)O)CCS(=O)(=O)CC2)CC1 1608176405 WPXGLWRYVMDRFD-UHFFFAOYSA-N 300.336 -0.172 30 20 DBED CCOCCNC(=O)Cn1c(C)nc(-c2nn[nH]n2)c1C#N 1609240927 OQAFEVRGJGTWEM-UHFFFAOYSA-N 304.314 -0.604 30 20 DBED COC(=O)N1CCCN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC1 1647076907 JLZLDINUCUORGY-UHFFFAOYSA-N 321.337 -0.766 30 20 DBED N#CCN(CCCNC(=O)[C@@H]1Cc2cncn2C(=O)N1)C1CC1 1752270182 ZIWUMUYVNMBYCQ-ZDUSSCGKSA-N 316.365 -0.140 30 20 DBED C=C(C)CN[C@H](CNC(=O)Cn1cnc(C(N)=O)n1)C1CC1 1752463874 PDPCGUNRPUGTGX-LLVKDONJSA-N 306.370 -0.563 30 20 DBED C=CCNC(=O)CN[C@H](CNC(=O)c1[nH]nnc1C)C1CC1 1752472056 HOAOWUUUOSQOIB-LLVKDONJSA-N 306.370 -0.487 30 20 DBED C=CCn1cc(C(=O)NC[C@@H](N[C@H](C)C(=O)NC)C2CC2)nn1 1752511582 GYRYYWXXJFHDBH-ZYHUDNBSSA-N 320.397 -0.303 30 20 DBED COCC#CCNC[C@@H]1CCCN(C(=O)[C@@H](C)NC(C)=O)C1 1752791685 WVDXPHHMRLQOMR-HIFRSBDPSA-N 309.410 -0.011 30 20 DBED C#CCNCCNC(=O)[C@@H]1CCCN(C(=O)[C@H](O)C(C)C)C1 1752926155 KQVZUYDQHHCHTD-ZIAGYGMSSA-N 309.410 -0.419 30 20 DBED C#CCNC(=O)[C@H](C)N(C)CCNC(=O)CC1CCN(C)CC1 1753066267 IRPOFMBCMLDTGE-AWEZNQCLSA-N 322.453 -0.096 30 20 DBED C=CCNC(=O)CN1CC(CNC(=O)[C@@H]2CC(=O)N(CC)C2)C1 1753404928 XKVVSIUKYYGJQJ-CYBMUJFWSA-N 322.409 -0.795 30 20 DBED C=CCNC(=O)[C@@H](C)NC[C@H](C)CNC(=O)c1cnn(C)n1 1753635089 WFOGVYYLAWFRQU-WDEREUQCSA-N 308.386 -0.539 30 20 DBED Cc1nocc1C(=O)NC[C@@H](NCC(=O)NCC#N)C(C)C 1753838677 SZHTYHCVQCMITO-GFCCVEGCSA-N 307.354 -0.033 30 20 DBED C=CCN1CC[C@@H](NC/C=C/CNC(=O)Cc2nc[nH]n2)C1=O 1754194870 ZGXMYNHLKWXNOT-AAOUONPWSA-N 318.381 -0.604 30 20 DBED C=C(C)CCN1CC(O)(CNC(=O)CCCS(N)(=O)=O)C1 1754773715 ZKLRLEREIIGJKO-UHFFFAOYSA-N 319.427 -0.816 30 20 DBED N#CCNC(=O)CN1CCOC[C@H]1CNC(=O)c1cc[nH]c1 1754967951 UBRWUXHDMGJARB-GFCCVEGCSA-N 305.338 -0.915 30 20 DBED C=CCNC(=O)[C@@H](C)NC[C@H]1CN(C(=O)CCOC)CCO1 1754996923 VARSMQAYHYHTTF-OLZOCXBDSA-N 313.398 -0.469 30 20 DBED C=C(C)CNC[C@H]1CN(C(=O)C[C@@H]2CC(=O)NC2=O)CCO1 1755017364 MFQKUQFJBHDJHK-RYUDHWBXSA-N 309.366 -0.568 30 20 DBED CC#CCN[C@]1(CO)CCCN(C(=O)C[C@@H](C)NC(N)=O)C1 1755083492 SBHRQHOUFGMYHN-IUODEOHRSA-N 310.398 -0.600 30 20 DBED C=CC(C)(C)C(=O)N1CCC[C@](CO)(NCc2nnnn2C)C1 1755087703 YDOCNVDXQAGPSE-HNNXBMFYSA-N 322.413 -0.135 30 20 DBED Cc1cn2nc(C(=O)NC3CC(CNCC#N)C3)cc2c(=O)[nH]1 1755214226 NGMUQIUSYJBHAS-UHFFFAOYSA-N 314.349 -0.047 30 20 DBED C[C@@H](CNC(=O)C(C)(C)N1CCCC1)N(C)CC(=O)NCC#N 1755311004 GYGJBEKDWARAJE-ZDUSSCGKSA-N 323.441 -0.063 30 20 DBED Cc1cc(C(=O)N[C@@H](C)C2CN(CC(=O)NCC#N)C2)on1 1755369884 GBSZMMNEAUPQKU-JTQLQIEISA-N 305.338 -0.327 30 20 DBED CNS(=O)(=O)CCC(=O)NCC1=CCN(CC#N)CC1 1755886488 JOCUOSRDBKITIV-UHFFFAOYSA-N 300.384 -0.802 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H](C)N(C)C(=O)C1(NC(N)=O)CC1 1756027778 VDUQUAJCVZDEDV-MNOVXSKESA-N 324.381 -0.811 30 20 DBED C=CCOCC(=O)N[C@H]1CN(C(=O)c2cnnn2C)CC1(C)C 1756174867 LHTOMAOFDMIIOO-LBPRGKRZSA-N 321.381 -0.016 30 20 DBED C=C1CC(C)(C(=O)N[C@@H](CO)CNC(=O)c2cn(C)cn2)C1 1756514000 QPGAFAYUXDLJSE-LLVKDONJSA-N 306.366 -0.017 30 20 DBED CC(C)(C)C#CC(=O)NC[C@H](CO)NC(=O)[C@H]1CCCNC1=O 1756519577 LHSFIMAYJQPSOC-NEPJUHHUSA-N 323.393 -0.845 30 20 DBED CC(C)(C)C#CC(=O)N[C@@H](CO)CNC(=O)[C@H]1CCC(=O)NC1 1756531997 GVXJDWBFOBKDID-NWDGAFQWSA-N 323.393 -0.845 30 20 DBED C=CCn1cc(C(=O)N2C[C@H](O)[C@H](NC(=O)CC(C)C)C2)nn1 1757150697 OERMJZTXRHFZSU-YPMHNXCESA-N 321.381 -0.188 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@H](NC(=O)COCC2CC2)C1 1757155614 BOJZZCCRDIIDTJ-KGLIPLIRSA-N 308.378 -0.096 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(C(=O)c2cncn2C)C[C@@H]1O 1757562102 FBJFZMRXTQDMSW-YPMHNXCESA-N 322.365 -0.686 30 20 DBED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3nccnc3C)C2)C1 1779785027 LYWWGGJGUDPUKF-INIZCTEOSA-N 314.345 -0.138 30 20 DBED N#CCC(=O)N1CCO[C@@]2(CCN(C(=O)Cc3cc[nH]n3)C2)C1 1782789733 GUMSWTBQCKDZOT-OAHLLOKOSA-N 317.349 -0.304 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)Cc1nc(C)no1)CCO2 1783049890 ZPMYZFJFMZVCKL-HNNXBMFYSA-N 318.333 -0.616 30 20 DBED C[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN)C[C@@H]21 1791260279 PIPQXZARNBWZNU-RCWTZXSCSA-N 301.412 -0.757 30 20 DBED C[C@H](CN)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)C#N 1792630118 RQMUVPSETWPAJZ-FVCCEPFGSA-N 322.409 -0.279 30 20 DBED C=CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)CC(N)=O)C2 1800996605 NCQSUXVWRVKTBU-OHTBPHCPSA-N 323.393 -0.336 30 20 DBED C=CCC(=O)N[C@H]1CCc2nc(NC(=O)[C@@H](N)CN)sc2C1 1817074838 NTILGVOOSJIBLJ-IUCAKERBSA-N 323.422 -0.083 30 20 DBED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)c2csnn2)C1 1841697133 RTVIQMKVPRGYNN-UHFFFAOYSA-N 320.330 -0.557 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846194837 VDDSKVDFEJWGME-LBPRGKRZSA-N 318.329 -0.684 30 20 DBED CC(C)NC(=O)CN(C)CC#CCN(C)CC(=O)NC(C)C 276337435 SPQRTNBZDVZZCA-UHFFFAOYSA-N 310.442 -0.097 30 20 DBED C=CCn1c(S(=O)(=O)CC(=O)NCC(C)C)n[nH]c1=O 284141652 VDJNFWAOXVCZRU-UHFFFAOYSA-N 302.356 -0.697 30 20 DBED CN(C)S(=O)(=O)NCCNC(=O)c1cc(C#N)cs1 288155423 HDHJPAPOWMEMGN-UHFFFAOYSA-N 302.381 -0.254 30 20 DBED CC[C@@]1(C)NC(=O)N(NS(=O)(=O)N(C)C[C@H](C)C#N)C1=O 289257383 UYPAYBZDIKEFGZ-LDYMZIIASA-N 317.371 -0.452 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(C)C[C@H]2CCCCO2)C1=O 299498424 JYECJBRXSPORTR-LLVKDONJSA-N 323.349 -0.009 30 20 DBED C[C@H](CN1CCOCC1)/N=C(/O)N[C@H]1CCCS(=O)(=O)C1 329854016 SJXSRIIFFFLDFQ-NEPJUHHUSA-N 319.427 -0.212 30 20 DBED C[C@H](C#N)NC(=O)Cn1cc(Br)c(O)nc1=O 330746379 FSJDLJAMCUJWMG-RXMQYKEDSA-N 301.100 -0.260 30 20 DBED CC(C)N1CC[C@@H](/N=C(/O)N(C[C@H](C)O)[C@H](C)CO)C1=O 331300341 WCCRBCMNAXBIID-GRYCIOLGSA-N 301.387 -0.027 30 20 DBED N#C[C@H]1CN(S(=O)(=O)N2CC[C@]3(CCOC3)C2)CCO1 336951560 UUNWPSJOXBEFAZ-RYUDHWBXSA-N 301.368 -0.432 30 20 DBED C[C@@H]1CN(S(=O)(=O)N2CCO[C@@H](C#N)C2)C[C@H](C2CC2)O1 337167252 CHKKSMLBITXKKH-KGYLQXTDSA-N 315.395 -0.045 30 20 DBED C=CCN(C)C(=O)C(=O)NC1CCN(CC(=O)NCCC)CC1 340374407 XQBCJEFKKJJWPA-UHFFFAOYSA-N 324.425 -0.262 30 20 DBED C[C@H](O)CNC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 343121817 AUGYPGKVTCVTRK-JTQLQIEISA-N 311.363 -0.324 30 20 DBED C=CCOC[C@@H]1NC(=O)N(c2cnn(CC(=O)NC)c2)C1=O 348722788 VOYDUSCNURFMAJ-JTQLQIEISA-N 307.310 -0.744 30 20 DBED C=C[C@H](CO)NC(=O)NCCNS(=O)(=O)c1ccccc1 358449775 FXEYPWBXOHVRBE-LLVKDONJSA-N 313.379 -0.189 30 20 DBED N#Cc1cnc(C(=O)NCCN2CCNC(=O)C2)c(Cl)c1 358530954 FYGXCDHQTNGITG-UHFFFAOYSA-N 307.741 -0.232 30 20 DBED CC(C)n1cc(C#N)c(NC(=O)C(=O)N[C@H](C)[C@H](C)CO)n1 359390973 PKEQKROJIIRZST-NXEZZACHSA-N 307.354 0.407 30 20 DBED CC[C@@H]1C(=O)N(CC)CCN1c1c(C#N)c(=O)n(C)c(=O)n1C 408363907 CFEUADHHWUGYBM-LLVKDONJSA-N 319.365 -0.597 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N1CC[C@H](NC(=O)NC)C1 410910439 NXQJRUYAWGZSGX-NSHDSACASA-N 312.370 -0.823 30 20 DBED C#C[C@@H](NC(=O)N1CCN(CCS(N)(=O)=O)CC1)C(C)C 491096858 XDTJCPGLUWWVEZ-GFCCVEGCSA-N 316.427 -0.740 30 20 DBED C#CCNC(=O)CN1CCN(C[C@@](C)(O)C(F)(F)F)CC1 491141834 BUIUMJHYROMCTN-GFCCVEGCSA-N 307.316 -0.333 30 20 DBED C#CCN1CCN(S(=O)(=O)CC(C)(C)C(=O)OC)CC1 491514288 HJLPIVBNMQHTLQ-UHFFFAOYSA-N 302.396 -0.234 30 20 DBED CNS(=O)(=O)NC1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 537722472 DKGFHCMKQMFPAA-UHFFFAOYSA-N 311.367 -0.455 30 20 DBED Cc1cc(NC(=O)C(=O)N2CC[C@](C)(C(N)=O)C2)ncc1C#N 577767359 ZVUQNERQBHXAGJ-HNNXBMFYSA-N 315.333 -0.076 30 20 DBED COc1cc(C#N)ccc1S(=O)(=O)N1CCOC[C@H](O)C1 577866688 APZHJSNXYRYUEE-LLVKDONJSA-N 312.347 -0.051 30 20 DBED C[C@@H]1CN(CCNC(=O)CNc2ccc(C#N)cn2)CCO1 579074156 GXKKLSWEJHMGCZ-GFCCVEGCSA-N 303.366 0.202 30 20 DBED COC(=O)c1cc(C#N)c(=O)n(CC(=O)Nc2ccon2)c1 591948919 FKDZJAAVELYAED-UHFFFAOYSA-N 302.246 0.133 30 20 DBED CN(C)S(=O)(=O)N(C)CC(=O)N1CCC[C@@](C)(C#N)C1 593598299 NBVOHEIWLNGBDJ-LBPRGKRZSA-N 302.400 -0.123 30 20 DBED N#Cc1cnnc(NCCS(=O)(=O)N2CCSCC2)c1 596123703 OHULHCWSUXRRIX-UHFFFAOYSA-N 313.408 0.139 30 20 DBED CC(=O)N1CCN(C(=O)CCNC[C@@H](O)CC(C)(C)C#N)CC1 598721188 SXXRBURLLCXVSH-AWEZNQCLSA-N 324.425 -0.042 30 20 DBED C=C[C@](C)(O)C(=O)NCc1ccc(OC)c(S(N)(=O)=O)c1 614941489 WNAHVUJRFGTUND-ZDUSSCGKSA-N 314.363 -0.104 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCN(CCC)C2)C1=O 619898552 KHGIRBQVJOIADO-NSHDSACASA-N 322.365 -0.436 30 20 DBED CC#CC[C@@H](CO)NC(=O)Cn1nnc2ccccc2c1=O 649192389 GUZIZARUSKQHMB-NSHDSACASA-N 300.318 -0.318 30 20 DBED C#CCCS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 711064887 GOCVNMUSSUOYMG-LBPRGKRZSA-N 300.380 -0.337 30 20 DBED CC(=NNC(=S)NCC(N)=O)c1cccc(-n2cnnn2)c1 731929393 FMHAEFZJXFCPDR-UHFFFAOYSA-N 318.366 -0.664 30 20 DBED C#CCNS(=O)(=O)N1CCN(CC[C@H]2CCCO2)CC1 787272503 SZGCHINVOSUJRM-CYBMUJFWSA-N 301.412 -0.359 30 20 DBED C[C@H](OC(=O)CCNS(C)(=O)=O)C(=O)NC1(C#N)CCC1 787634434 KYLQTQGUOICMGX-VIFPVBQESA-N 317.367 -0.580 30 20 DBED C[C@@H](OC(=O)Cn1ncn(C)c1=O)C(=O)NC1(C#N)CCC1 787780695 SQSSRMXCKOYTBY-SECBINFHSA-N 307.310 -0.924 30 20 DBED Cn1c(C=NNCC(C)(C)CO)nc2c1c(O)nc(=O)n2C 799116018 YKNGAALULMYTOV-UHFFFAOYSA-N 308.342 -0.685 30 20 DBED CS(=O)(=O)CCOCCNS(=O)(=O)c1ccc(C#N)o1 805015684 QAGKEQGZRJXDRN-UHFFFAOYSA-N 322.364 -0.509 30 20 DBED C#C[C@@H](NC(=O)C(=O)N1CCn2nc(C)nc2C1)[C@H]1CCCO1 809308372 KRFAFGYTEGWRFM-VXGBXAGGSA-N 317.349 -0.774 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H]1CCC[C@@H]1NS(C)(=O)=O 826860798 MVQQERFUGDFTPP-UTUOFQBUSA-N 302.396 -0.141 30 20 DBED CCOC(=O)CNC(=O)[C@@H]1COCCN1C(=O)C#CC(C)C 854383249 ZPWKNLJCPNBJNJ-LBPRGKRZSA-N 310.350 -0.448 30 20 DBED C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2COCO2)cc1 861967502 ZOMNSGMHLMVVSO-LBPRGKRZSA-N 324.358 -0.299 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)C2(F)CCOCC2)CC1 864658211 ZVZHZJNCGDCMAL-UHFFFAOYSA-N 313.373 -0.049 30 20 DBED C=CCN(CC(=O)OCC)C(=O)CN1CCCCS1(=O)=O 879298473 CMRQESOTRFLZRH-UHFFFAOYSA-N 318.395 -0.010 30 20 DBED C#CC1(O)CN(C(=O)c2ccc(C(=O)N3CCOCC3)cc2)C1 890526823 BYBPMGLYWLDPHX-UHFFFAOYSA-N 314.341 -0.021 30 20 DBED C#CC[C@@H](CO)NC(=O)NC1CCN(CC(=O)NCCC)CC1 914115479 BRYBTKNUYIVILG-AWEZNQCLSA-N 324.425 -0.340 30 20 DBED C#CCN1CCC[C@@H](NC(=O)CCC(=O)N2CCOCC2)C1 923593199 KSGXMGITNVOMPO-CQSZACIVSA-N 307.394 -0.161 30 20 DBED COc1ccc(CNC(=O)CNC(=O)NCC#CCO)cc1 923782699 VNXOJUCNZIZODX-UHFFFAOYSA-N 305.334 -0.394 30 20 DBED CN(CCCNC(=O)CN1CCC[C@H](C#N)C1)S(C)(=O)=O 932157444 ZMSQFYOQHJVRQL-GFCCVEGCSA-N 316.427 -0.380 30 20 DBED O=C(N[C@H]1CCN(C(=O)C#CC2CC2)C1)c1ccc(O)nn1 937641186 WPMWJZQMOYSDEU-NSHDSACASA-N 300.318 -0.074 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)c3cnnn3C)C2)cn1 940226586 DBDZKPOECJCVHJ-CYBMUJFWSA-N 324.344 -0.164 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](NC(=O)c2ccc(C(N)=O)[nH]2)[C@H](C)C1 940336708 FQWXYCHMCZMETG-KBVBSXBZSA-N 317.349 -0.150 30 20 DBED C[C@H]1CN(CC#N)CC[C@@H]1NC(=O)c1cn(C)c(=O)nc1O 944906356 HQNQPZQUBXUPJG-ONGXEEELSA-N 305.338 -0.550 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H]2[C@H]3C[C@H]2N(C(=O)c2cnn[nH]2)C3)c1 946883865 ZCCZICBVJYQGOX-AXTRIDKLSA-N 311.305 -0.353 30 20 DBED C[C@H]1C[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)CCN1CC#N 947371306 YPJZCZGPZXCIRZ-NWDGAFQWSA-N 319.365 -0.960 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H]2CCN2C(=O)Cc2nc[nH]n2)c1 949292157 CKBIADKABWRKSO-SNVBAGLBSA-N 313.321 -0.422 30 20 DBED CC(C)Oc1cnc(C(=O)NC[C@H]2CN(CC#N)C[C@H]2O)cn1 958068999 KQCKZBPGIRZMDC-WCQYABFASA-N 319.365 -0.190 30 20 DBED C#CCCN1C[C@H](O)[C@H](CNC(=O)c2cc(OC)ncn2)C1 958073782 NQUKVAJWHPPNKK-YPMHNXCESA-N 304.350 -0.469 30 20 DBED C=CCCN1C[C@H](CNC(=O)c2ccc3nn[nH]c3n2)[C@@H](O)C1 958122625 YSMKDYMQKFNNGX-GWCFXTLKSA-N 316.365 -0.049 30 20 DBED N#CCN1C[C@@H](O)[C@@H](CNC(=O)c2ccn(CC(F)F)n2)C1 958164116 ILHFQEDQIPGTBF-GXSJLCMTSA-N 313.308 -0.306 30 20 DBED C=CCCN1C[C@H](O)[C@H](CNC(=O)c2ccc(=O)n(CC)n2)C1 958495492 ZXCPMUXPVRYQRG-OCCSQVGLSA-N 320.393 -0.138 30 20 DBED C=CCCN1C[C@H](O)[C@H](CNC(=O)c2ccc(C(N)=O)cn2)C1 958743953 CSDNGFSMTFCGIQ-OCCSQVGLSA-N 318.377 -0.221 30 20 DBED C=C(Cl)CN1C[C@H]2C(NC(=O)C[C@@H]3CC(=O)NC3=O)[C@@H]2C1 963104816 XJPYCLQIABJOQU-OPRDCNLKSA-N 311.769 -0.162 30 20 DBED N#Cc1ccc(C(=O)NC[C@H]2CC[C@H](NC(=O)C(N)=O)CC2)[nH]1 963994577 BOAWNPKYNFIIAM-MGCOHNPYSA-N 317.349 -0.224 30 20 DBED CCN(C(=O)c1cnn(C)c1N)C1CN(C(=O)[C@H](C)C#N)C1 967895642 RCIWXKUCAOJYED-SECBINFHSA-N 304.354 -0.165 30 20 DBED N#CCN1CCCCC[C@@H]1CNC(=O)c1nnc(O)nc1O 968936138 BQFATUBNCYGSFT-SECBINFHSA-N 306.326 -0.219 30 20 DBED N#CCN1CCCCC[C@@H]1CNC(=O)C1CC(=O)NC(=O)C1 969070629 NXBUAJHJVOXMIP-GFCCVEGCSA-N 306.366 -0.076 30 20 DBED C[C@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)[C@@H]1CCNC(=O)C1)C2 969805710 KSXZQUQRIDWLGI-NDBYEHHHSA-N 318.377 -0.126 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@H]1CN(C(=O)C(N)=O)C2 970048159 IFKMLXJEDHROOS-YFKTTZPYSA-N 307.350 -0.735 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)[C@@]3(C)CCC(=O)NC3)C2)C1 972511980 MZIRRNAHVPRBFH-DLBZAZTESA-N 319.405 -0.161 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2cc[nH]n2)C1 973043452 FUUDASOKBHGRPB-OBJOEFQTSA-N 315.377 -0.116 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3COC(=O)N3)C2)c1 973143042 OGTOPHXTSKSFAS-FXPVBKGRSA-N 317.305 -0.628 30 20 DBED N#Cc1cc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)c[nH]1 974048553 GXBAGIVIJCNOPV-DMWPJOQESA-N 315.333 -0.615 30 20 DBED C#CCCN1C[C@@H](NC(=O)C[C@@H]2CC(=O)NC2=O)C(C)(C)C1 977685029 SVQDSJLILDDPSN-VXGBXAGGSA-N 305.378 -0.111 30 20 DBED CC#CCN1C[C@H]2C(CNC(=O)c3nnc(O)nc3O)[C@@H]2C1 978417153 UELDGAAHYAAZAG-UWVGGRQHSA-N 303.322 -0.786 30 20 DBED CC[C@@H]1[C@@H](NC(=O)c2nnn(C)n2)CCN1C(=O)C#CC1CC1 985287964 OCDMCRCVWHRMDE-NWDGAFQWSA-N 316.365 -0.267 30 20 DBED C=CCN[C@@H]1C[C@H](C)N(C(=O)Cn2ncn3nccc3c2=O)C1 989511942 VOBDNBAJWMAZKY-NWDGAFQWSA-N 316.365 -0.344 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC(NC(=O)c2n[nH]cc2C)C1 991264262 WFMYWHUUSKJFEK-ZDUSSCGKSA-N 315.377 -0.244 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CN(C(=O)c2cnn[nH]2)C1 992038080 PVGXZRRJUPFBQF-JQWIXIFHSA-N 305.338 -0.274 30 20 DBED C[C@H](C#N)C(=O)N1CC(NC(=O)[C@H]2CCc3nncn3C2)C1 993845066 MIGWMJRVQBUKTD-ZJUUUORDSA-N 302.338 -0.673 30 20 DBED N#Cc1cc(C(=O)N2CC(NC(=O)C[C@H]3CCC(=O)N3)C2)c[nH]1 995376157 BJFBDHHPADKQOQ-SNVBAGLBSA-N 315.333 -0.504 30 20 DBED C#CCN[C@H]1CN(C(=O)[C@@H]2CN(C(C)=O)CCO2)CC1(C)C 996574487 NFNGKPYWTFIAQG-KBPBESRZSA-N 307.394 -0.307 30 20 DBED C=CCN[C@H]1CN(C(=O)CN2C(=O)CN(C)C2=O)CC1(C)C 996582967 FBDYWXKBNKYWBN-NSHDSACASA-N 308.382 -0.107 30 20 DBED CC1(C)CN(C(=O)[C@@H]2CCS(=O)(=O)N2)C[C@@H]1NCC#N 996643182 NNZIOUASDACHRD-UWVGGRQHSA-N 300.384 -0.972 30 20 DBED C=C1CC(C)(C(=O)NC2CN(C(=O)CS(C)(=O)=O)C2)C1 999235089 QPNCGEYAXAPPKA-UHFFFAOYSA-N 300.380 -0.286 30 20 DBED C#Cc1cncc(C(=O)NC2CN(C(=O)Cc3cnn(C)c3)C2)c1 999302237 IXQZXLFKMVRAEY-UHFFFAOYSA-N 323.356 -0.020 30 20 DBED CN1C[C@@H](C(=O)NCC2CN(C(=O)C#CC3CC3)C2)CCC1=O 1002490679 HMQMBCDVBVAWBP-AWEZNQCLSA-N 317.389 -0.157 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC(CNC(=O)c2cnon2)C1 1003813513 CDGDCIKHEJDQPC-ZDUSSCGKSA-N 317.349 -0.645 30 20 DBED C=C[C@](C)(CC)C(=O)N1CCO[C@@]2(CCN(C(=O)C(N)=O)C2)C1 1007715252 OYTAFJFVNGHFLF-HZPDHXFCSA-N 323.393 -0.096 30 20 DBED NC(=O)[C@@H]1C[C@@H]1C(=O)NCC1[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]12 1009521397 YTTLTNZLODJIQT-XWUBHJNHSA-N 315.373 -0.658 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C(=O)[C@@H](C)N2C(=O)CCC2=O)CC1 1011251396 PQSLXDOWTMOBFI-WDEREUQCSA-N 320.349 -0.646 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2ncnn2C)C1 1014770085 NWWYSQVVZOVKCQ-KGLIPLIRSA-N 316.409 -0.397 30 20 DBED CN1CC[C@H](N[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)C1=O 1018748468 ZQPLRAWNKLWQHA-AAEUAGOBSA-N 301.350 -0.079 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@@H]2OCCN(C(=O)CC(N)=O)[C@H]2C1 1019908467 QJNHXXNZJAIPBZ-RYUDHWBXSA-N 323.393 -0.098 30 20 DBED C=CCN1CC[C@@H](N[C@H]2C[C@H](NC(=O)[C@@H]3[C@H]4COC[C@H]43)C2)C1=O 1020489073 QVIDFZZYKDTMGT-LACSLYJWSA-N 319.405 -0.098 30 20 DBED C#CCN1CC[C@@H]2[C@H](CCCN2C(=O)CN2CCNC(=O)C2)C1 1021651325 CTQVCTDGEQIDJR-HUUCEWRRSA-N 318.421 -0.636 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@@H](NCc2nnn(C)n2)C1 1022841964 QZXHICZMPKRXIN-OPDFLTKYSA-N 320.397 -0.072 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCN(C)C3)C[C@H]2O)C1 1025545819 PDEZBXLITJFJAF-MGPQQGTHSA-N 321.421 -0.018 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CN(Cc2nnn(C)n2)C1 1032046950 JQEWSCFIHRLKEA-JSGCOSHPSA-N 320.397 -0.261 30 20 DBED N#CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cnc2c(c1)NC(=O)CO2 1032500916 LFDYQWQJFNKOBL-QWRGUYRKSA-N 313.317 -0.165 30 20 DBED C#CCN1CCCC[C@@H](NC(=O)[C@H]2CCN(C)S2(=O)=O)C1 1034442792 SEAFQPXWBYUVRQ-CHWSQXEVSA-N 313.423 -0.376 30 20 DBED CN1C[C@H](C(=O)N2CCC3(CCN(CC#N)C3)CC2)NC1=O 1035212660 XIJAHSROZVYPQJ-GFCCVEGCSA-N 305.382 -0.152 30 20 DBED CC#CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)CN1C(=O)CC(C)(C)C1=O 1037419466 JYEFXBHNKJDOMX-TYNCELHUSA-N 317.389 -0.016 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H]2CCN2CC(=O)NC2CC2)c1 1038139295 INFUJHMKGNRRCY-GFCCVEGCSA-N 301.350 -0.031 30 20 DBED C[C@@H]1CCN(C(=O)C(N)=O)C[C@H]1CN=c1cc[nH]c(C#N)n1 1039887649 JHEJRPHFKMPNKD-NXEZZACHSA-N 302.338 -0.848 30 20 DBED CC(C)C#CC(=O)N1CC[C@@](O)(CNC(=O)c2n[nH]cc2F)C1 1040835886 UNVDPWZOTIPYOF-OAHLLOKOSA-N 322.340 -0.099 30 20 DBED N#Cc1cnccc1N1C[C@@H](O)[C@H](NC(=O)[C@@]23COC[C@@H]2C3)C1 1041400194 CVFVTNMECUJXHO-DMEJVMROSA-N 314.345 -0.345 30 20 DBED CC(C)CO[C@H](C)C(=O)NCC1(O)CN(C(=O)[C@H](C)C#N)C1 1041780497 LANRMNWDPWVYIX-VXGBXAGGSA-N 311.382 -0.103 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)CNC(=O)CCC)C1 1041951531 BATZDEYUWXXKSN-UHFFFAOYSA-N 311.382 -0.442 30 20 DBED C[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1NC(=O)Cn1ncnn1 1042221452 HETZZUMJQTWSAS-ZYHUDNBSSA-N 312.337 -0.419 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)C[C@@](C)(O)C=C)C1 1042807468 UEIHXYNLGARFJF-AWEZNQCLSA-N 312.366 -0.794 30 20 DBED C#CCNC(=O)CC(=O)N1CC(O)(CNC(=O)/C=C(\C)CC)C1 1042920146 QCHOTSLPXQPSFO-KPKJPENVSA-N 321.377 -0.828 30 20 DBED C=C(C)CCC(=O)NCC1(O)CN(C(=O)[C@]2(C)CCC(=O)N2)C1 1043314394 FHLXXSGUVJBHIT-HNNXBMFYSA-N 323.393 -0.299 30 20 DBED N#Cc1cnc(N2C[C@H](O)[C@H](NC(=O)Cc3cnoc3)C2)cn1 1044410490 HZZNLZRBIYSTMA-NEPJUHHUSA-N 314.305 -0.755 30 20 DBED C=CCN[C@H]1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)[C@@H](C)C1 1044763080 KOLLKTFSNYYXBZ-RYUDHWBXSA-N 320.393 -0.147 30 20 DBED C=C(C)C[C@H](C)C(=O)NCC1(O)CN(C(=O)c2ncn(C)n2)C1 1045055037 JVIJCVSNBDIIFM-NSHDSACASA-N 321.381 -0.280 30 20 DBED C=C[C@H](CC)CC(=O)NCC1(O)CN(C(=O)c2cnn(C)n2)C1 1045069275 RJCKDAPJFPPOET-LLVKDONJSA-N 321.381 -0.280 30 20 DBED N#Cc1nc(=N[C@H]2C[C@@H](CNC(=O)[C@H]3CCC(=O)N3)C2)cc[nH]1 1046298324 RZUZUBVDQDYWPL-OUAUKWLOSA-N 314.349 -0.645 30 20 DBED C=C(Cl)CN1CC[C@](C)(NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 1046663724 DYGOEFRPFACSEV-ZANVPECISA-N 314.773 -0.082 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@]2(C)CCN(C(C)=O)C2)C1 1047589194 DCGLHZWFPHKKAF-ZOBUZTSGSA-N 321.421 -0.228 30 20 DBED C=CCO[C@@H](C)C(=O)N(C)[C@H]1CN(C(=O)c2cnon2)C[C@@H]1O 1049011619 XUCKFFIWXRCQIE-DLOVCJGASA-N 324.337 -0.696 30 20 DBED CN1CC(=O)N(CC(=O)N2CCC[C@H]3[C@H]2CCN3CC#N)C1=O 1049887770 WVYXFKVFGHBKMZ-NWDGAFQWSA-N 319.365 -0.531 30 20 DBED C#CCCN1CCOC[C@@H]1CNC(=O)c1nnn(C(C)(C)C)n1 1050927874 SBZHNWLDQRRDPO-LBPRGKRZSA-N 320.397 -0.118 30 20 DBED N#Cc1nccnc1N1CC[C@@H](NC(=O)c2cnco2)[C@H](O)C1 1051753843 IXWWYGMFZKNBID-MWLCHTKSSA-N 314.305 -0.294 30 20 DBED C[C@]1(C(=O)N2CC[C@H](N3CCN(CC#N)CC3)C2)CCNC1=O 1052082719 VUTCXPYKFMOKGB-BBRMVZONSA-N 319.409 -0.745 30 20 DBED C=CCOCC(=O)N1C[C@H](C)[C@H](CNC(=O)C2(C(N)=O)CC2)C1 1052220304 IOJMGHARGUYMTF-NWDGAFQWSA-N 323.393 -0.335 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)c3cc4n(n3)CCCO4)CO2)C1 1053867463 LCYKLDKXVNTFDF-NSHDSACASA-N 317.349 -0.238 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@](CO)(NC(=O)c2ccnn2C)C1 1055817203 IQYVTLSLEVEJJA-ABAIWWIYSA-N 319.365 -0.337 30 20 DBED C#CCCCC(=O)N[C@@]1(CO)CCCN(C(=O)c2nc[nH]n2)C1 1055910021 FKTUEOKESIQPKG-HNNXBMFYSA-N 319.365 -0.309 30 20 DBED C=CCCC(=O)N1CCC[C@@](CO)(NC(=O)[C@H]2CNC(=O)N2)C1 1056082691 MXFYVSOKMMCDAY-IAQYHMDHSA-N 324.381 -0.896 30 20 DBED C=CCOCC(=O)N1CCC[C@](CO)(NC(=O)[C@H](C)C#N)C1 1056092418 AHTOBHBUAJGUAH-DOMZBBRYSA-N 309.366 -0.182 30 20 DBED Cn1ncc(C(=O)NC2[C@@H]3CN(c4ccc(C#N)nn4)C[C@@H]23)c1N 1056176257 LLQZCALLRUDBPY-GHMZBOCLSA-N 324.348 -0.471 30 20 DBED N#Cc1nccnc1N[C@@H]1CCN(C(=O)Cn2cnnc2O)C1 1056609267 SYVLKKPLGHITRR-SECBINFHSA-N 314.309 -0.642 30 20 DBED N#Cc1ccc(N[C@@H]2CCN(C(=O)[C@@H]3CCNC3=O)C2)nn1 1056744615 ABNFIECVEAFVGS-GHMZBOCLSA-N 300.322 -0.503 30 20 DBED CN1C(=O)CC[C@H]1C(=O)N1CC[C@@H](Nc2ccc(C#N)nn2)C1 1056746940 BBZYJALPFDXALF-NEPJUHHUSA-N 314.349 -0.018 30 20 DBED C=C[C@@H](C)[C@H](C)C(=O)NCCN(CCO)C(=O)CNC(N)=O 1056919260 MXFZNTRSGGHBDA-MNOVXSKESA-N 314.386 -0.950 30 20 DBED N#Cc1ccc(C(=O)N(CCO)CCNC(=O)[C@H]2CCOC2)[nH]1 1057367029 MMEOYXNWFRFKCG-NSHDSACASA-N 320.349 -0.526 30 20 DBED Cc1ccnc(C(=O)N(CCO)CCNC(=O)C#CC2CC2)n1 1057465610 LMZYMXGXWYTXJJ-UHFFFAOYSA-N 316.361 -0.251 30 20 DBED C=CCCOCC(=O)N(CCO)CCNC(=O)c1cncn1C 1057920299 NJOCQCLQDXXZGR-UHFFFAOYSA-N 324.381 -0.437 30 20 DBED C=C[C@@](C)(CCOC)C(=O)N(CCO)CCNC(=O)COC 1058177775 HMHVWEUQXQHVGK-HNNXBMFYSA-N 316.398 -0.201 30 20 DBED N#Cc1cncc(N2CCC[C@H](NC(=O)[C@@H]3CNC(=O)N3)C2)n1 1058231318 DZEWFWUQAHVITB-ONGXEEELSA-N 315.337 -0.885 30 20 DBED N#Cc1nccnc1N1CC[C@@H](NC(=O)CN2CCOCC2)C1 1058324244 BRFUYGBRXSLMMA-GFCCVEGCSA-N 316.365 -0.625 30 20 DBED C[C@H](C(=O)N[C@@H]1CCN(c2nccnc2C#N)C1)n1cncn1 1058324278 DIUBVCSXNGLAHI-GHMZBOCLSA-N 312.337 -0.104 30 20 DBED N#Cc1cnc(N2CC[C@H](NC(=O)[C@@H]3COC(=O)N3)C2)cn1 1058350678 QUAMKABNZAQNML-WPRPVWTQSA-N 302.294 -0.848 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)C12CCN(CC1)C2 1058655453 YZYFWIRZWCBFGW-LBPRGKRZSA-N 308.382 -0.821 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H]1CC[C@H](NC(=O)CC(N)=O)CC1 1060699430 UCJIRAPZEWSXRC-AVGNSLFASA-N 323.393 -0.309 30 20 DBED N#Cc1cncc(NC[C@@H]2CCN(C(=O)[C@H]3CCNC3=O)C2)n1 1060952937 LNUJFSMKVAKVHX-JQWIXIFHSA-N 314.349 -0.255 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCOC[C@H]1CNC(=O)C(F)F 1061173200 RAMPISMRPVVGIZ-RNCFNFMXSA-N 306.309 -0.078 30 20 DBED CC(C)C#CC(=O)NC[C@H]1COCCN1C(=O)[C@H]1CCNC1=O 1061568702 OJKVKXAOYQRQNR-STQMWFEESA-N 321.377 -0.875 30 20 DBED CC(C)C#CC(=O)N1CCOC[C@@H]1CNC(=O)[C@H]1CCNC1=O 1061749484 ZVAPBWNDSKRSHK-STQMWFEESA-N 321.377 -0.875 30 20 DBED C=CCOCC(=O)NCC1(NC(=O)[C@@H]2CCN(C)C2=O)CCC1 1062704666 UCOIYOJAKDBFPT-LBPRGKRZSA-N 323.393 -0.178 30 20 DBED C=C[C@@](C)(O)CC(=O)NC1(CNC(=O)Cn2ncnn2)CCC1 1063147010 UZCZUHCFAXTRFI-CYBMUJFWSA-N 322.369 -0.845 30 20 DBED N#CCSCC(=O)NC[C@H]1CN(C(=O)c2cocn2)CCO1 1064971447 AXODXLZPWZZXMW-JTQLQIEISA-N 324.362 -0.111 30 20 DBED CC(C)C#CC(=O)N1CCO[C@@H](CNC(=O)c2cnn(C)n2)C1 1065128472 DZGORDJERQVWGW-LBPRGKRZSA-N 319.365 -0.568 30 20 DBED C=CCO[C@H](C)C(=O)NC[C@H]1CN(C(=O)c2nc[nH]n2)CCO1 1065449736 OHADSIAAVGDCOV-MNOVXSKESA-N 323.353 -0.647 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCN([C@@H]2CCN(C(C)=O)C2)CC1 1065675462 QRJOGWMIRLOAFV-DZGCQCFKSA-N 307.394 -0.210 30 20 DBED C[C@H](N=c1cc[nH]cc1C#N)[C@@H]1CCN(C(=O)CC(N)=O)C1 1065685827 ZHHAANXGRZFQTJ-WDEREUQCSA-N 301.350 -0.101 30 20 DBED C[C@H](C#N)C(=O)N(C)CCCN(C)C(=O)[C@@H](C)S(C)(=O)=O 1067739279 GFXIKEKVAYXIMB-GHMZBOCLSA-N 317.411 -0.114 30 20 DBED N#Cc1cncc(NC[C@H]2C[C@H](NC(=O)[C@H]3CCNC3=O)C2)n1 1068561645 JSAOVTVNCNMFIH-NHCYSSNCSA-N 314.349 -0.209 30 20 DBED C=CCO[C@H](C)C(=O)N1CC2(C[C@@H](NC(=O)COC)CO2)C1 1068655142 YYLQAHORDLBJMH-VXGBXAGGSA-N 312.366 -0.290 30 20 DBED Cc1cc(C#N)nc(NC[C@H]2CC[C@H](NC(=O)C(N)=O)C2)n1 1069501307 XGRLMBMNRFGLIJ-UWVGGRQHSA-N 302.338 -0.161 30 20 DBED C#CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2ncn(C)n2)C1 1069920260 DNGZRIBZMUFNRL-NEPJUHHUSA-N 314.353 -0.915 30 20 DBED C=C(C)CN[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1n1ccnn1 1070297750 PTKGQXBABKDOIG-MNOVXSKESA-N 302.342 -0.372 30 20 DBED C#CCN[C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1c1cncn1C 1070653210 DPSRABORGRTNDO-CHWSQXEVSA-N 313.365 -0.771 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)[C@H]4CCN(C)C4=O)C[C@@]3(C1)O2 1070840228 SULXTWNTEYSIPU-QDEZUTFSSA-N 317.389 -0.600 30 20 DBED COCC(=O)NCCC(=O)N1CCC[C@@H](NC(=O)[C@@H](C)C#N)C1 1070850952 BGFXNMOEKBTNHD-NWDGAFQWSA-N 324.381 -0.594 30 20 DBED CC#CCN1CCNC(=O)CCN(C(=O)c2cnn[nH]2)CC1 1070976668 LRJZZLIINBFTMH-UHFFFAOYSA-N 304.354 -0.908 30 20 DBED CO[C@@H](C)C(=O)N1CCC[C@H](N2CCN(CC#N)CC2=O)C1 1071257115 RHUWRMJKGSBQTD-STQMWFEESA-N 308.382 -0.320 30 20 DBED C=CCOCC(=O)N1C[C@H](C)[C@@H](NC(=O)C(C)(C)C(N)=O)C1 1071810669 CMYJBLCIBDBJRO-QWRGUYRKSA-N 311.382 -0.336 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H](C)[C@@H](NC(=O)c2cc[nH]c2)C1 1071941979 FFEHIXZPMUWTNR-AAEUAGOBSA-N 316.361 -0.269 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CN(C(=O)CC(C)(C)O)C[C@@H]1C 1071987053 BWHAPXOGTUDZTQ-RYUDHWBXSA-N 323.393 -0.750 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2CN(CC(N)=O)CCCO2)cc1 1073723730 MFYIRGVIXYJMIA-HNNXBMFYSA-N 315.373 -0.026 30 20 DBED C=C(C)CN1CCO[C@H]2CCN(C(=O)Cn3cnnc3O)C[C@H]21 1074211860 GDWXARCRUNLORS-OLZOCXBDSA-N 321.381 -0.139 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@H]3OCCN(CCO)[C@@H]3C2)cn1 1074387316 JBEBZVFQILQTTC-HZPDHXFCSA-N 315.373 -0.030 30 20 DBED C=C[C@@](C)(CC)C(=O)NCC1(O)CCN(C(=O)C(N)=O)CC1 1074700877 JOIYVVNLZVUVPB-AWEZNQCLSA-N 311.382 -0.456 30 20 DBED C#CCOCCC(=O)N[C@@H](C)CCNC(=O)CNC(=O)C1CC1 1075741414 CDMYESRPIYTDAM-LBPRGKRZSA-N 323.393 -0.437 30 20 DBED C[C@@H](CCNC(=O)c1cc(C#N)c[nH]1)NC(=O)c1nc[nH]n1 1076070945 DZAFEDLHEVTDDK-QMMMGPOBSA-N 301.310 -0.057 30 20 DBED C#CCO[C@H](C)C(=O)NCC[C@H](C)NC(=O)CN(C)C(C)=O 1076509406 WSMPTLZDWZJEEL-NWDGAFQWSA-N 311.382 -0.486 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H](C)CCNC(=O)c1cncnc1O 1077077181 LJKLPTIYSMFISM-WDEREUQCSA-N 320.349 -0.155 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC(=O)N(C(C)C)C2)C1 1077083604 AVGIFFGJBSGARB-BFHYXJOUSA-N 309.410 -0.019 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCc3nccn32)C1 1077130982 KAZCAYCIBCJJIR-MGPQQGTHSA-N 302.378 -0.055 30 20 DBED C[C@@H](CCNC(=O)[C@@H](C)C#N)NC(=O)CN1CCCNC1=O 1078130396 BTGGYZLOVDMALA-QWRGUYRKSA-N 309.370 -0.428 30 20 DBED CSCC(=O)NC[C@@H]1CN(C(=O)CSCC#N)C[C@@H]1O 1081237686 RTARUAIVRUZLAV-ZJUUUORDSA-N 317.436 -0.458 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)Cc2ncc[nH]2)C[C@@H]1O 1081343922 JQJBZRQFXJGVTR-RYUDHWBXSA-N 322.365 -0.910 30 20 DBED Cc1c[nH]c(C(=O)NC[C@@H]2CN(C(=O)C#CC(C)C)C[C@@H]2O)n1 1081520994 VLMDHYYHARXOEY-OLZOCXBDSA-N 318.377 -0.073 30 20 DBED N#CCSCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cc[nH]c2)C1 1081538767 FVWWOTUDGLCENS-NEPJUHHUSA-N 322.390 -0.179 30 20 DBED C#CCOCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2cc[nH]c2)C1 1081539122 JLPRGNBIYOVRST-ZIAGYGMSSA-N 319.361 -0.396 30 20 DBED C#CCN1C[C@@H](NC(=O)c2cc3c(cn2)OCCO3)[C@H](OC)C1 1081805502 ZXCFHFOAIMBGIH-IUODEOHRSA-N 317.345 -0.085 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)Cn2cccc(C)c2=O)C1 1083457857 JXZUPVGLVOGXHV-KGLIPLIRSA-N 303.362 -0.659 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2cc(C(F)(F)F)ncn2)C1 1083636749 LGRHDJKCABZBSA-BDAKNGLRSA-N 315.255 -0.206 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCc3nnc(C)n3C2)C1 1084084143 HZKMMZKXTRGVNC-MCIONIFRSA-N 317.393 -0.666 30 20 DBED C#CCN1CC[C@@H]1CN(C)C(=O)c1ccc(=O)n(CCOC)n1 1085709813 QIPYMMZFBWXYBV-CYBMUJFWSA-N 318.377 -0.331 30 20 DBED C=CCN1CC[C@H](N2CC[C@@H]3CN(C(=O)C(N)=O)C[C@@H]3C2)C1=O 1088089012 XDDVLHPUWRLHTR-AGIUHOORSA-N 320.393 -0.961 30 20 DBED C#CCCN1CC[C@H](NC(=O)C2CC3(C2)NC(=O)NC3=O)[C@H]1C 1088915205 OSQGVRQVXAEBPH-ZWRZFFQRSA-N 318.377 -0.423 30 20 DBED CC(C)[C@@H](O)C(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1O 1090407833 DUUGLZQRZBALOM-YRGRVCCFSA-N 304.350 -0.364 30 20 DBED CC#CCN1CC[C@@H](NC(=O)Cc2cn(CC)nn2)[C@@H](O)C1 1090440996 IGAJWXNBIRCIKI-KGLIPLIRSA-N 305.382 -0.585 30 20 DBED C#CCCN1CC[C@H](NC(=O)Cn2ccc(C)cc2=O)[C@H](O)C1 1090608479 DZMXBTDLULHTNX-LSDHHAIUSA-N 317.389 -0.269 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CN(Cc3nc(=O)n(C)[nH]3)C[C@@]2(C)C1 1091547565 LJAKIJKYIZMAJQ-HFAKWTLXSA-N 318.381 -0.452 30 20 DBED C[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1CCNC(=O)CC(N)=O 1092492663 XGZDBAORYBBXFE-GHMZBOCLSA-N 316.365 -0.198 30 20 DBED Cc1cc(N2CCN(C(=O)CCNC(N)=O)CC2)c(C#N)cn1 1093155635 IOQAMGWSXHXQAF-UHFFFAOYSA-N 316.365 -0.031 30 20 DBED C[C@H](NC(N)=O)C(=O)N[C@H]1[C@@H]2CN(c3ccc(C#N)nc3)C[C@@H]21 1093255811 DLPAZRPQYYCHLT-HWNAMQAFSA-N 314.349 -0.439 30 20 DBED C#CCNC(=O)CC(=O)NCCNc1ncnc2onc(C)c12 1093558460 WMIPGQWIUXYOAS-UHFFFAOYSA-N 316.321 -0.406 30 20 DBED CCN1CCO[C@H](C(=O)NCCNc2nccnc2C#N)C1 1093654620 ICEXPGPCZKRQRX-LBPRGKRZSA-N 304.354 -0.403 30 20 DBED N#Cc1cnc(NCCNC(=O)c2cncc(C(N)=O)c2)cn1 1093659813 RLIDTMIZDDYWGW-UHFFFAOYSA-N 311.305 -0.316 30 20 DBED N#Cc1nc(=NCCNC(=O)c2nccn3ccnc23)cc[nH]1 1093792882 NFMXXWYNXAKVLH-UHFFFAOYSA-N 308.305 -0.345 30 20 DBED CCc1nc(C#N)cc(NCCNC(=O)[C@@H]2CCNC2=O)n1 1094034770 PIBOGBOTEUWEOH-SNVBAGLBSA-N 302.338 -0.425 30 20 DBED COc1cccnc1CC(=O)NCCN=c1cc[nH]c(C#N)n1 1094068567 UVKAMGLGFGONJX-UHFFFAOYSA-N 312.333 -0.055 30 20 DBED N#Cc1nccnc1NCCCNC(=O)CN1C(=O)CCC1=O 1094435215 VSLUIOALNHFIOM-UHFFFAOYSA-N 316.321 -0.585 30 20 DBED C#CCO[C@H](C)C(=O)NCCCNc1nccn2nnnc12 1094594374 DUJNYQKQSNJWSJ-SNVBAGLBSA-N 303.326 -0.524 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)[C@H]3C[C@@H]3C(F)F)CC2=O)C1 1094730046 QGJOVJLOYVQUHC-USWWRNFRSA-N 311.332 -0.078 30 20 DBED CCn1ccnc1C(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1 1094734080 RAGMHSKLTASUPN-NSHDSACASA-N 316.365 -0.559 30 20 DBED CN(CCCNC(=O)CCCC(N)=O)c1cnc(C#N)cn1 1095580928 XMBXUXKEGWHAGJ-UHFFFAOYSA-N 304.354 -0.054 30 20 DBED CN(CCCNC(=O)Cn1ncnn1)c1ccc(C#N)cn1 1095645551 XZWQOPANDAYTQD-UHFFFAOYSA-N 300.326 -0.418 30 20 DBED N#Cc1nccnc1N1CCCC[C@@H]1CNC(=O)CNC(N)=O 1097392773 JBGWLVMQOUOWLR-SNVBAGLBSA-N 317.353 -0.508 30 20 DBED Cc1cc(C#N)nc(N[C@H](C)CNC(=O)Cn2cncn2)n1 1097844392 JDTMRBIMXFRZSU-SNVBAGLBSA-N 300.326 -0.135 30 20 DBED C#CCN1C[C@@H]2CCC[C@]2(NC(=O)CN2CC(=O)NC2=O)C1 1099083549 QUZQXVGDGHMULK-NHYWBVRUSA-N 304.350 -0.858 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)C[C@H]1C(F)(F)F 1099300180 ROTHXCWQZNDTCI-HRDYMLBCSA-N 304.272 -0.720 30 20 DBED C[C@@H](CCNC(=O)Cn1ncnn1)Nc1nccnc1C#N 1099553446 MRXOVIGQUNHFEU-VIFPVBQESA-N 301.314 -0.658 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2ccncc2)[C@H](O)C1 1099620750 QJDUZUCKBVHKMQ-LSDHHAIUSA-N 303.362 -0.104 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2ccn(C)c2)[C@H](O)C1 1099766524 LYCJJCHLNWFSMN-HUUCEWRRSA-N 305.378 -0.160 30 20 DBED CCCNC(=O)CN1CC[C@@H](NC(=O)C#CC2CC2)[C@@H](O)C1 1099825865 BLGGOIKXWDAPKN-KGLIPLIRSA-N 307.394 -0.523 30 20 DBED C#CCOCCC(=O)N[C@H]1CCN(Cc2nnc(C)o2)C[C@H]1O 1099832434 HIDIKSQAOYXSBL-QWHCGFSZSA-N 322.365 -0.531 30 20 DBED COCC#CCN1CC[C@H](NC(=O)Cc2ncc[nH]2)[C@@H](O)C1 1100048639 OOLZFDCLCMCZNQ-STQMWFEESA-N 306.366 -0.847 30 20 DBED CC[C@@]1(C(=O)NCCN(C)c2cncc(C#N)n2)CCNC1=O 1100402478 BHPBQTSANUUZPW-OAHLLOKOSA-N 316.365 -0.183 30 20 DBED CC(=O)N[C@@H](C)C(=O)NCCN(c1ccc(C#N)nn1)C1CC1 1101274270 XQXOLWXBBFXDBQ-JTQLQIEISA-N 316.365 -0.042 30 20 DBED C=CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)C(C)(C)C(N)=O)C1 1102067889 FBOMLUBSZIKPCR-VXGBXAGGSA-N 324.425 -0.516 30 20 DBED C=CCOCC(=O)NCC[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1102774374 FVVRXKLHEFTISI-ZIAGYGMSSA-N 322.409 -0.097 30 20 DBED CC[C@H](CNC(=O)CN(C)C(C)=O)N=c1cc[nH]c(C#N)n1 1102986958 OMQUNPGRFIGADI-LLVKDONJSA-N 304.354 -0.445 30 20 DBED C[C@H](CN=c1cc[nH]cc1C#N)CNC(=O)CN1CCOCC1 1103915980 XSBAODXSHZHBSO-CYBMUJFWSA-N 317.393 -0.128 30 20 DBED C#CCNCc1cn(C2CN(C(=O)CN3CC[C@H](C)C3)C2)nn1 1105327265 YWJCCFSLOCDZTH-ZDUSSCGKSA-N 316.409 -0.274 30 20 DBED CNC(=O)NCCC(=O)N(C)CCN(C)c1ccc(C#N)nn1 1105383524 QRAZPFNDOIDTQB-UHFFFAOYSA-N 319.369 -0.438 30 20 DBED N#Cc1cnc(NC[C@H](O)CNC(=O)C2CCOCC2)cn1 1105699612 ZYZULDQWOVRVPE-LBPRGKRZSA-N 305.338 -0.336 30 20 DBED CN1CCC[C@@H]1C(=O)NC[C@@H](O)CNc1cnc(C#N)cn1 1105754556 HHEWJLXXNMSNED-NWDGAFQWSA-N 304.354 -0.669 30 20 DBED Cc1nnc(CC(=O)NC[C@H](O)CNc2ccc(C#N)nn2)o1 1105816221 SXEZWHMJXXTJLC-SNVBAGLBSA-N 317.309 -0.829 30 20 DBED Cc1cc(=NC[C@@H](O)CNC(=O)c2cnnn2C)c(C#N)c[nH]1 1105834188 WMISEOYUXVVZQO-LLVKDONJSA-N 315.337 -0.985 30 20 DBED CC(C)N(C)CC(=O)NC[C@@H](O)CNc1cnc(C#N)cn1 1105869030 KMQGDTZBNQGFSO-LBPRGKRZSA-N 306.370 -0.423 30 20 DBED CC(C)[C@H](C(=O)NC[C@H](O)CNc1cncc(C#N)n1)N(C)C 1105917677 MVYGXIJRNBGHEI-TZMCWYRMSA-N 320.397 -0.177 30 20 DBED N#Cc1cnc(NC[C@@H](O)CNC(=O)c2nc[nH]n2)c(F)c1 1105932751 VJZSWLXTYRFYGT-MRVPVSSYSA-N 305.273 -0.587 30 20 DBED COCC1(C(=O)NC[C@H](O)CNc2nc(C)cc(C#N)n2)CC1 1106022699 GMZTYINSZCVFHA-LBPRGKRZSA-N 319.365 -0.028 30 20 DBED C=CCN1CC(n2cc(CNC(=O)CCC(=O)NCC)nn2)C1 1107144233 IICKBYJMHYEAPT-UHFFFAOYSA-N 320.397 -0.147 30 20 DBED COCCCOCC(=O)NC/C=C/CN=c1cc[nH]c(C#N)n1 1107328394 JWDSCGCLLLZEJR-NSCUHMNNSA-N 319.365 -0.092 30 20 DBED C[C@H](CNc1ccc(C#N)nn1)NC(=O)CCN1CCOCC1 1107834844 XRULETQSQMBCEB-GFCCVEGCSA-N 318.381 -0.013 30 20 DBED C#CCNC(=O)CC(=O)NC[C@]1(C)CN(CCC=C)CCO1 1107885281 UWOXZMMDIDQGRP-MRXNPFEDSA-N 307.394 -0.091 30 20 DBED C[C@H](CNc1nccnc1C#N)NC(=O)C[C@H]1CCNC1=O 1107978596 FFXPLPJEHAZCAZ-NXEZZACHSA-N 302.338 -0.209 30 20 DBED C[C@@H]1CN(C)C[C@H](C(=O)NC[C@@]2(C)CN(CC#N)CCO2)O1 1108024837 QGGPABIPYDXGQR-NFAWXSAZSA-N 310.398 -0.564 30 20 DBED C[C@H](CNc1nccnc1C#N)NC(=O)[C@H]1CN(C)C[C@@H](C)O1 1108190604 BORSMTWGRUAETP-NQBHXWOUSA-N 318.381 -0.016 30 20 DBED C=CCn1cc(C(=O)NC[C@@]2(C)CN(CC#N)CCO2)nn1 1108266751 QQPZVDCSMMKRGO-AWEZNQCLSA-N 304.354 -0.192 30 20 DBED Cc1ncnc(O)c1C(=O)N[C@@H](C)CN=c1cc[nH]c(C#N)n1 1108644336 ZCAJHALXECDIRU-QMMMGPOBSA-N 313.321 -0.195 30 20 DBED CC(=O)N(C)CC(=O)N[C@@H](C)CN(C)c1cncc(C#N)n1 1108827470 OLKGMHJFKOLFSL-JTQLQIEISA-N 304.354 -0.233 30 20 DBED C[C@@H](CN(C)c1ccc(C#N)nn1)NC(=O)[C@@]1(C)CCNC1=O 1109240952 XDKOQGGUQBPSTE-BONVTDFDSA-N 316.365 -0.185 30 20 DBED COCCOCC(=O)N[C@H](CN=c1cc[nH]c(C#N)n1)C1CC1 1109815044 QKYHJKVLJPFZHI-GFCCVEGCSA-N 319.365 -0.260 30 20 DBED CCc1nc(C#N)cc(N2CCC(C)(NC(=O)C(N)=O)CC2)n1 1110609231 WPFBGPXPHXMINT-UHFFFAOYSA-N 316.365 -0.129 30 20 DBED C[C@@]1(NC(=O)Cn2cnnn2)CCN(c2ccc(C#N)nc2)C1 1110710441 FJBNLABRSYHXLS-CQSZACIVSA-N 312.337 -0.275 30 20 DBED C=C[C@@](C)(O)CC(=O)N(CCO)CCN=c1cc[nH]cc1C#N 1111466889 MKWXHJBGEYPFMC-MRXNPFEDSA-N 318.377 -0.065 30 20 DBED N#Cc1nccc(NC2(CNC(=O)[C@H]3COC(=O)N3)CCC2)n1 1111803446 BUZJSVHEFAOONC-SECBINFHSA-N 316.321 -0.093 30 20 DBED N#Cc1c[nH]ccc1=NC1(CNC(=O)[C@H]2CNC(=O)N2)CCC1 1111890740 NDTOADOGBVQUHF-GFCCVEGCSA-N 314.349 -0.493 30 20 DBED COCC(=O)NCCC(=O)N1C[C@@H]2CCC[C@]2(CNCC#N)C1 1112382193 JYTHSTAOYUXSLT-BBRMVZONSA-N 322.409 -0.119 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCN(CC(=O)N(C)C2CC2)CC1 1112841833 OMALAOJCCYHBON-ZDUSSCGKSA-N 307.394 -0.210 30 20 DBED Cc1[nH]nc(Cl)c1C(=O)N1CCN(CC(=O)NCC#N)CC1 1112938658 OXMTWEAQGNZQEM-UHFFFAOYSA-N 324.772 -0.231 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)[C@H](C)n3cccn3)[C@@H]2C1 1113894123 RGVOQXZVJRGYNB-YNEHKIRRSA-N 317.393 -0.207 30 20 DBED C[C@H](C(=O)NC1CC1)N1C[C@@H]2C(NC(=O)CSCC#N)[C@H]2C1 1113899845 VQXNOZDDZDBVNR-USWWRNFRSA-N 322.434 -0.043 30 20 DBED N#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3ccncc3F)[C@H]2C1 1114088643 RQDTWCKQEKZJEP-QWRGUYRKSA-N 317.324 -0.480 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)[C@@H]3CCN(C)[C@@H]3C)[C@@H]2C1 1114298030 BDDLOFSPVJJLOM-AAVRWANBSA-N 318.421 -0.878 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)C3(F)CCOCC3)[C@@H]2C1 1114381319 SQKWVHLEQCPZIB-VXGBXAGGSA-N 323.368 -0.699 30 20 DBED N#Cc1cncc(N2C[C@@H]3C(CNC(=O)Cn4cncn4)[C@H]3C2)n1 1114549233 FXPZBWJTDMOGQH-CHWSQXEVSA-N 324.348 -0.562 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)[C@]3(C)CCOC3)[C@@H]2C1 1115015725 JOIVVAYLRSNHDI-XHBSWPGZSA-N 305.378 -0.791 30 20 DBED C=CCN1C[C@H]2C(NC(=O)C[C@]3(C)CCS(=O)(=O)N3)[C@@H]2C1 1115176624 QXZUYKKCRDERPT-GYSYKLTISA-N 313.423 -0.309 30 20 DBED CCCCS(=O)(=O)NCC(=O)NC1[C@H]2CN(CC#N)C[C@H]12 1115180107 LOEACOWRBQXFIV-QWRGUYRKSA-N 314.411 -0.724 30 20 DBED C[C@@H](CN(C)C(=O)[C@@H]1COC(=O)N1)N=c1cc[nH]cc1C#N 1115702965 PLDIGBORLGHSRW-CABZTGNLSA-N 303.322 -0.258 30 20 DBED CS(=O)(=O)CC1(CC(=O)OCC(=O)NCCC#N)CC1 1116183991 UDAXRXQVQLCHAL-UHFFFAOYSA-N 302.352 -0.226 30 20 DBED N#Cc1ccc(CNC(=O)C(=O)N2CCNC(=O)C2)cc1F 1118037051 WPEPSXHJEDYBMS-UHFFFAOYSA-N 304.281 -0.728 30 20 DBED Cc1cc(=N[C@H](CO)CNC(=O)[C@H]2CCCO2)c(C#N)c[nH]1 1121184879 WDJYAMVINBCYLC-GXTWGEPZSA-N 304.350 -0.248 30 20 DBED N#Cc1c(F)cccc1N[C@@H](CO)CNC(=O)CCNC(N)=O 1121591725 VJPLKPPXVIRGHS-SECBINFHSA-N 323.328 -0.355 30 20 DBED CN(C[C@@H](O)CNc1ncccc1C#N)C(=O)Cc1nc[nH]n1 1124498248 DKLJWLAOKPILLI-NSHDSACASA-N 315.337 -0.455 30 20 DBED C#CCOCCC(=O)N(C)C[C@H](O)CNc1ccc(C#N)nn1 1124519640 NQZDNFJLIKZAIN-CYBMUJFWSA-N 317.349 -0.381 30 20 DBED C[C@H](CC(N)=O)C(=O)N(C)C[C@H](O)CNc1ncccc1C#N 1124689506 SICUAIIZEKXWJU-ZYHUDNBSSA-N 319.365 -0.304 30 20 DBED N#CCNCc1nnc2n1CC[C@H](NC(=O)c1cc[nH]n1)CC2 1127943407 CJYZDIJQDCJIIL-SNVBAGLBSA-N 314.353 -0.251 30 20 DBED N#CCNCc1nnc2n1CC[C@@H](NC(=O)[C@H]1CCOC1)CC2 1127958522 FPCGFIKVFOLFLN-RYUDHWBXSA-N 318.381 -0.251 30 20 DBED C[C@@]1(C(=O)NCc2cnn3c2CN(CC#N)CC3)CNC(=O)C1 1128415764 AWTJLBISKBMBRY-HNNXBMFYSA-N 316.365 -0.635 30 20 DBED CN(C)CCCCC(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1 1129396835 NQUPYNCBYKVIQO-KGLIPLIRSA-N 319.413 -0.125 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)CCC)C[C@@H]1n1ccnn1 1129516460 RAICODYSQXLQQK-OLZOCXBDSA-N 320.397 -0.278 30 20 DBED N#Cc1ccc(CNCCNC(=O)CN2CCOCC2=O)s1 1129550250 CSNNBDOAJYACGJ-UHFFFAOYSA-N 322.390 -0.316 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)c1cnn(C)c1CC 1130775861 PMQJNXWICQQHCJ-NSHDSACASA-N 307.398 -0.007 30 20 DBED CC#CCN1C[C@H]2C[C@@H]3CN(C(=O)CCNC(N)=O)C[C@@]3(C1)O2 1131289955 UEEOHLKVMHDSOI-XJKCOSOUSA-N 320.393 -0.630 30 20 DBED CCO[C@H](C(=O)N1CCC(=O)NCCN(CC#N)CC1)C1CC1 1131359950 AFTCNLIUJUBRKO-HNNXBMFYSA-N 322.409 -0.024 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)C2(COC)CC2)CC1 1131369546 MCNKQBBVWOQODU-UHFFFAOYSA-N 307.394 -0.303 30 20 DBED CCC(=O)NCC(=O)N1C[C@@H](C)O[C@@]2(CCN(CC#N)C2)C1 1131645964 NNPLXLOYSKFMOI-IUODEOHRSA-N 308.382 -0.272 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)CCc2nccn2C)C1=O 1131653472 UFNPHJJSPZJGIK-CYBMUJFWSA-N 319.409 -0.155 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)C1(CCF)CC1 1131718652 NGFLLVWWOAQLQO-UHFFFAOYSA-N 314.361 -0.156 30 20 DBED C#CCNC(=O)CN1C[C@H](NC(=O)Cc2ccon2)CC[C@H]1C 1131931205 OROSYAPGFWSVIO-TZMCWYRMSA-N 318.377 -0.064 30 20 DBED C=C(C)CN(CC)C(=O)[C@H](C)NCCNC(=O)c1nnn(C)n1 1132531598 JHWGLIOVFDLVGC-NSHDSACASA-N 323.401 -0.657 30 20 DBED C[C@@H]1CCN(C(=O)CN2CCN(C)C(=O)C2)C[C@@H]1CNCC#N 1132934157 ZTZSLFXLCRLURI-KGLIPLIRSA-N 321.425 -0.642 30 20 DBED Cc1ncncc1C(=O)N[C@H](C)C[C@H](C)NCC(=O)NCC#N 1133813113 UZZJTOKVHAKERV-WDEREUQCSA-N 318.381 -0.089 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)c1cc(C)n(C)n1 1133829817 IIJHGSSICMSDMW-NWDGAFQWSA-N 319.409 -0.036 30 20 DBED C=CCOCC(=O)N[C@@H](C)C[C@@H](C)NCC(=O)NC(N)=O 1133910321 YPGXUGMHSWICOC-ZJUUUORDSA-N 300.359 -0.743 30 20 DBED COCC#CCNCCNC(=O)C1(NC(N)=O)CCCCC1 1134737886 AWUYYACMGGBXJM-UHFFFAOYSA-N 310.398 -0.287 30 20 DBED COCC#CCN[C@H](C)C[C@H](C)NC(=O)Cn1ncn(C)c1=O 1134787693 OCRNYDVHNDZOKN-OLZOCXBDSA-N 323.397 -0.896 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)c1cc(CC)nn1C 1135684499 JVFKXYLZXNNLAX-NSHDSACASA-N 307.398 -0.007 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1cc(CC)cnc1O 1146200424 LAIFTBMMCUOWHV-LLVKDONJSA-N 318.377 -0.193 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)c1ccc(O)nn1 1151707138 UWBAFUBIXUROLK-SNVBAGLBSA-N 320.353 -0.738 30 20 DBED C#CCN1CCC(C(=O)NCCN[C@H]2CCN(C)C2=O)CC1 1152330318 LSIFQTIIWCLRJF-AWEZNQCLSA-N 306.410 -0.732 30 20 DBED CCN(CCNS(C)(=O)=O)[C@H](C)CNC(=O)[C@@H](C)C#N 1152413259 KZCQLGQSQOZKOV-WDEREUQCSA-N 304.416 -0.478 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)CCc2cn(C)nn2)C1=O 1153771363 XOGVOLKWJGSVOX-ZDUSSCGKSA-N 320.397 -0.760 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)Cc1cnoc1 1154789241 JIKQAPJPFYTPTE-GFCCVEGCSA-N 306.366 -0.207 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)C[C@@H]1CCC(=O)N1 1155790184 UXEOKRZLUUIZMV-OLZOCXBDSA-N 322.409 -0.769 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)CCCn3ccnn3)C[C@@H]21 1177036910 WUDWCCXIPNVJFV-LSDHHAIUSA-N 317.393 -0.007 30 20 DBED Cn1cc(C(=O)NCCCCCCNCC(=O)NCC#N)cn1 1177881972 ITYZJEQZLBCIMC-UHFFFAOYSA-N 320.397 -0.060 30 20 DBED COCC#CCN[C@H]1CCN(C(=O)Cc2n[nH]c(C)n2)[C@H]1C 1178649000 RYICMQNBXSNXHI-AAEUAGOBSA-N 305.382 -0.116 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@H]2CN(CC(=O)NCC=C)C[C@H]21 1187882555 QXQYNNZTHNJJNV-QLFBSQMISA-N 319.405 -0.140 30 20 DBED CCn1nccc1C(=O)N1CC[C@@H](N(C)CC(=O)NCC#N)C1 1189807771 JGXGFFRHHPLYNG-GFCCVEGCSA-N 318.381 -0.311 30 20 DBED COCC#CCN(C)[C@@H]1CCN(C(=O)C2CN(C(C)=O)C2)C1 1189846614 FZMOZIHNBIEGBM-OAHLLOKOSA-N 307.394 -0.353 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC[C@@H](N(C)CCS(C)(=O)=O)C1 1189919002 XZFLXPOTNIREAJ-TZMCWYRMSA-N 318.439 -0.109 30 20 DBED COCC#CCN(C)[C@H]1CCN(C(=O)[C@H]2CC(=O)N(C)C2)C1 1190453837 NISURTSMFKNVFV-KBPBESRZSA-N 307.394 -0.353 30 20 DBED C=CCOCCCC(=O)N[C@@H]1CN(CCOCCO)C[C@H]1O 1192054138 KYEQQCNEKFEASS-ZIAGYGMSSA-N 316.398 -0.861 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)CO[C@@H]2CCOC2)C1 1192930835 BLTQFMXHIQRBFW-IJLUTSLNSA-N 304.774 -0.294 30 20 DBED COCCOC[C@H](O)CN1CCCN(C(=O)[C@@H](C)C#N)CC1 1195314819 UJYMKSHJTXLJFF-UONOGXRCSA-N 313.398 -0.296 30 20 DBED C=CCCOCC(=O)N1CCCN(Cc2nnn(C)n2)CC1 1198315797 IYIHWSAOMAFMRA-UHFFFAOYSA-N 308.386 -0.163 30 20 DBED C#CCCCC(=O)N1CCCO[C@@H](CNCC(=O)NCC#N)C1 1200404518 LXOCCAIUSWQZTF-AWEZNQCLSA-N 320.393 -0.363 30 20 DBED CC#CCNC1CCN(C(=O)[C@@H](C)NS(=O)(=O)CC)CC1 1200686097 LLLHWLACDNTNTD-GFCCVEGCSA-N 315.439 -0.082 30 20 DBED N#CCNC[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)CCCO1 1201412181 WPFHOIUDYZZBMJ-FRRDWIJNSA-N 308.382 -0.381 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)CCCC(N)=O)CC1 1204083182 FSARFXFOFFJLPI-UHFFFAOYSA-N 310.398 -0.475 30 20 DBED COCC#CCNCC1CCN(C(=O)[C@@H]2CC[C@@H]2C(N)=O)CC1 1205879257 RZMCRNQIBMYPFJ-LSDHHAIUSA-N 321.421 -0.024 30 20 DBED CC#CCN[C@@H]1CCCN(C(=O)Cn2ccc(O)nc2=O)C1 1208506120 CHJVTTDULHHHGD-GFCCVEGCSA-N 304.350 -0.447 30 20 DBED CN1CC[C@@H](CC(=O)N2CCC[C@H](NCC(=O)NCC#N)C2)C1 1210674267 QKWYEYCEKFMHIH-KBPBESRZSA-N 321.425 -0.451 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2nnc(C)s2)C[C@@H]1O 1219605279 NVKWYVPJWJUSED-WCQGTBRESA-N 324.406 -0.454 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3cccnc3)[C@@H]2C1 1221227043 GQQMIEDLTUVOCA-HUUCEWRRSA-N 312.373 -0.023 30 20 DBED COCC#CCN1CC[C@@H]2CN(C(=O)[C@H]3COCCN3C)[C@@H]2C1 1221483973 HXQOGDUANOEHJZ-BZUAXINKSA-N 321.421 -0.501 30 20 DBED CC#CCN1CCC(CNC(=O)[C@@H](C)NC(=O)COC)CC1 1223294516 MLDKAQCDHUZYOH-CYBMUJFWSA-N 309.410 -0.011 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCCC[C@H]1N[C@@H](CC)C(N)=O 1225789283 QRZLDGVVUYYOAZ-YNEHKIRRSA-N 322.409 -0.593 30 20 DBED N#CCNC(=O)CN1CCC(NC(=O)c2cccc(O)n2)CC1 1226741338 WVHBIPFYEPYHPD-UHFFFAOYSA-N 317.349 -0.379 30 20 DBED COCC#CCN1CCC(NC(=O)[C@@H]2CCCNC2=O)CC1 1227907327 BURGESYINNPEPB-CQSZACIVSA-N 307.394 -0.257 30 20 DBED COCC#CCN(CCCNC(=O)C(N)=O)Cc1cccnc1 1230835434 FSBHEPXXEJDOCG-UHFFFAOYSA-N 318.377 -0.475 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@@H]1CN(C)C(=O)Cc1ccon1 1231395836 OZXPXOYNCBGYQS-GXTWGEPZSA-N 318.377 -0.112 30 20 DBED C#CCN1CCN(C(=O)Cn2nc(C)c(C)c(C#N)c2=O)CC1 1252606407 HBERMNIYFMUPNM-UHFFFAOYSA-N 313.361 -0.491 30 20 DBED C#C[C@@H](C)NC(=O)C(=O)Nc1ccc(OCC(=O)NC)cc1 1255508225 UMHCKADQLNXDBU-SNVBAGLBSA-N 303.318 -0.112 30 20 DBED C#C[C@H](NC(=O)C(=O)Nc1cnn(CC(N)=O)c1)C(C)(C)C 1261098030 AEXPCYXRAZJPRL-JTQLQIEISA-N 305.338 -0.529 30 20 DBED N#Cc1ccc(N2CCC(NC(=S)NCC(N)=O)CC2)nc1 1318195038 HGBJGGROUIVFSK-UHFFFAOYSA-N 318.406 -0.129 30 20 DBED CN1N=C(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CCC1=O 1318654364 PJMBIOCPPZYCNN-WYMLVPIESA-N 319.321 -0.763 30 20 DBED C#CCOCCC(=O)NS(=O)(=O)c1ccc(C(N)=O)cc1 1319600524 VOVFYEZJAYMVTE-UHFFFAOYSA-N 310.331 -0.370 30 20 DBED CN(C)S(=O)(=O)c1ccc(C(=O)N(CC#N)CC#N)cn1 1320474438 VSDZDRUWEJBFQK-UHFFFAOYSA-N 307.335 -0.179 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCC(c2ncc[nH]2)CC1 1323699256 RDNYFOJBAYUOKR-UHFFFAOYSA-N 304.350 -0.118 30 20 DBED C[C@@H](OC(=O)c1ccc(=O)n(C)n1)C(=O)NC1(C#N)CCC1 1324422204 SMHGKSTYKCLAKX-SECBINFHSA-N 304.306 -0.112 30 20 DBED COC(=O)CN(CC#N)C(=O)[C@@H]1CC12CCS(=O)(=O)CC2 1325819917 IREDFLMCKYUPTQ-JTQLQIEISA-N 314.363 -0.274 30 20 DBED O=C(N[C@H]1CCCN(O)C1=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 1327640153 UNQJRENKEKPACA-VIFPVBQESA-N 318.289 -0.674 30 20 DBED C[C@@H]1CC[C@@H](CNC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)O1 1331040294 FBIMPWXOCGITAB-BNOWGMLFSA-N 320.393 -0.131 30 20 DBED C=CCn1c([C@@H]2CNC(=O)C2)nnc1N(C)C[C@@H]1COCCO1 1338001516 AMXIBMRZZIZUCR-NWDGAFQWSA-N 321.381 -0.081 30 20 DBED C=CCNC(=O)[C@@H](C)OC(=O)C1(S(C)(=O)=O)CCOCC1 1343797436 QVTMEWSRUVVJCF-SNVBAGLBSA-N 319.379 -0.186 30 20 DBED C#CCSCCNC(=O)C(=O)N[C@H]1CCc2nc(C)nn2C1 1346026590 MFFNPZDOCOHPOK-NSHDSACASA-N 321.406 -0.500 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@H](C)[C@H]1CCOC1 1347187143 WMRXMHBYDUWDIO-MNOVXSKESA-N 318.395 -0.755 30 20 DBED CN(CC(C)(C)C#N)C(=O)C(=O)N1CC(N2CCCC2=O)C1 1356403591 LCJFISZZKBLULZ-UHFFFAOYSA-N 306.366 -0.172 30 20 DBED C[C@@H]1OC(=O)N[C@H]1C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N 1363504296 NCIWJROMMCNKAK-IONNQARKSA-N 320.309 -0.447 30 20 DBED CCS(=O)(=O)C1CN(S(=O)(=O)c2ccc(C#N)nc2)C1 1364838876 YUIFOSZIGISDIO-UHFFFAOYSA-N 315.376 -0.239 30 20 DBED Cc1cc(C#N)nc(N(C)CCNC(=O)CCn2cnnn2)n1 1366809468 PIVVOLONKYZDBH-UHFFFAOYSA-N 315.341 -0.714 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCN(C)C(=O)c1ccc(C(N)=O)[nH]1 1376375950 PMFJOIPSZUTUEW-VIFPVBQESA-N 305.338 -0.196 30 20 DBED C=C(Cl)CN1CCOC[C@@H]1CNC(=O)CCn1cnnn1 1376667498 CKWHRBPBEZINRS-NSHDSACASA-N 314.777 -0.367 30 20 DBED C[C@@H](C#N)C(=O)N1CCCC2(C1)CN(C(=O)[C@H](C)NC(N)=O)C2 1381419294 OOJJRUVJFZSRCN-QWRGUYRKSA-N 321.381 -0.346 30 20 DBED C[C@@H](CN(C)C(=O)[C@@H]1CCC(=O)N1)NC(=O)c1c[nH]c(C#N)c1 1382131957 JRLBACMAFGAIMR-CABZTGNLSA-N 317.349 -0.258 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)CCc2ccn(C)n2)C1 1384728849 UDTQBJZXUFESPD-CYZMBNFOSA-N 319.365 -0.800 30 20 DBED C[C@H](CNC(=O)c1ccc(C#N)[nH]1)NC(=O)CCn1cncn1 1386227088 VHAJYMABAYCWJR-SNVBAGLBSA-N 315.337 -0.197 30 20 DBED C[C@@H](CNC(=O)[C@H](C)C#N)NC(=O)CS(=O)(=O)C(C)(C)C 1392957840 JQLOASGKUMPCOM-ZJUUUORDSA-N 317.411 -0.020 30 20 DBED Cc1nn(C)c(=O)c(C(=O)N(C)CCNC(=O)[C@H](C)C#N)c1C 1398014669 OXLUUQOTDQNKHV-SECBINFHSA-N 319.365 -0.255 30 20 DBED CCN(CCNC(=O)[C@@H](C)C#N)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 1398135697 LKIUNEWJJMCUJE-GARJFASQSA-N 310.354 -0.856 30 20 DBED C[C@@H](C#N)C(=O)NCCN1CCN(C(=O)C[C@@H]2CCOC2)CC1 1407443635 CYDOOJWKANCEPH-KBPBESRZSA-N 322.409 -0.167 30 20 DBED COc1cc(C#N)ccc1CN1C[C@@H](C(N)=O)[C@@H](C(N)=O)C1 1414017347 NVMIPUCJSDZWHI-TXEJJXNPSA-N 302.334 -0.415 30 20 DBED Cc1cnc(CNC[C@H](O)CNC(=O)c2cc(C#N)c[nH]2)nc1 1420094205 DIRIBKRGTIODJM-LBPRGKRZSA-N 314.349 -0.135 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)[C@H]2CCN(C)C(=O)C2)CC1 1432215008 AYNMNCUTPLCKNY-QWRGUYRKSA-N 306.366 -0.221 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N[C@H](C(N)=O)c1ccccn1 1434575820 MYHMZTOHNNZPBC-ONGXEEELSA-N 311.367 -0.324 30 20 DBED C[C@@H](C#N)C(=O)NCC1CCN(C(=O)[C@H]2CCC(=O)N2)CC1 1453798336 NMPXPFFJOJADLD-CMPLNLGQSA-N 306.366 -0.221 30 20 DBED CNC(=O)NC(=O)CNCC1(NC(=O)[C@H](C)C#N)CCCC1 1495138908 MIANLRVXZPXTPA-SNVBAGLBSA-N 309.370 -0.380 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1n[nH]c2c1CCC2 1533299723 ONEWSHXEQZRJFP-IUCAKERBSA-N 305.338 -0.735 30 20 DBED COC(=O)[C@@H]1CC[C@H](S(=O)(=O)N[C@@H]2CNC[C@H]2C#N)C1 1578832337 KBXCXRUSZCMIEM-CHWFTXMASA-N 301.368 -0.641 30 20 DBED C#Cc1ccc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)O)cc1 1588433982 XSGOHAGLPFUANP-LBPRGKRZSA-N 307.327 -0.008 30 20 DBED C=CCC[C@H](CO)Nc1c(-c2nn[nH]n2)c(=O)n(C)c(=O)n1C 1588580007 XFGZZMJTQKLFHB-MRVPVSSYSA-N 321.341 -0.997 30 20 DBED C[C@H](C#N)C(=O)NCCCNc1ccc(-c2nn[nH]n2)nn1 1588929315 XYEDDPHFCZUNAF-MRVPVSSYSA-N 301.314 -0.265 30 20 DBED O=C(CCN/C(O)=C1/N=CC=CC1=O)N[C@H]1CCO[C@H]1C(=O)O 1601279749 QUKFPVKRUNUXOM-CUMZJSFMSA-N 323.305 -0.739 30 20 DBED C=C(CCC(=O)O)C(=O)N(C)Cc1nnc2c(=O)[nH]ccn12 1602774219 CBHYDPGLEFWSOD-UHFFFAOYSA-N 305.294 -0.203 30 20 DBED C[C@H]1CN(C(=O)C(=O)N2CCO[C@@H](C#N)C2)CC[C@H]1C(=O)O 1607467612 CERANCMWKAVCMX-GARJFASQSA-N 309.322 -0.693 30 20 DBED Cc1nc(C(=O)NCc2nnc3c(=O)[nH]ccn23)ccc1C#N 1626142916 SDJSWGZZELMNIZ-UHFFFAOYSA-N 309.289 -0.077 30 20 DBED C#CCNC(=O)CNC[C@H]1CCCN1C(=O)c1ocnc1C 1723897418 MESCXBSNLNBRET-GFCCVEGCSA-N 304.350 -0.073 30 20 DBED C=CCNC(=O)CN[C@@H](CNC(=O)c1cnc(O)n1C)C1CC1 1752474144 WEXFUHMLFLYRTM-NSHDSACASA-N 321.381 -0.474 30 20 DBED C#CCCN1CCC[C@H](CNC(=O)CN2CC(=O)N(C)C2=O)C1 1752788655 OEYWKNSRLMZLIC-CYBMUJFWSA-N 320.393 -0.268 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC[C@H]1CNC(=O)Cc1ncc[nH]1 1753113760 NIBGOCWMRJXSKH-STQMWFEESA-N 317.393 -0.329 30 20 DBED C#CCCN1CC[C@H](CNC(=O)Cn2ccc(=O)n(C)c2=O)C1 1753130006 SCORUMKEHVFPIH-CYBMUJFWSA-N 318.377 -0.992 30 20 DBED C=CCNC(=O)CN1CC[C@@H](N(CCC)C(=O)CNC(C)=O)C1 1753313665 UJEUWPCBDITMNH-CQSZACIVSA-N 324.425 -0.262 30 20 DBED CN(CCN1CCN(CC#N)CC1)C(=O)c1coc(C(N)=O)c1 1753342512 SXSLQNJTIMESSS-UHFFFAOYSA-N 319.365 -0.408 30 20 DBED C#CCNC(=O)[C@H](C)N1CC(NC(=O)[C@@H]2CCCCN2CC)C1 1753395947 ZPSWZTQOHSZGNH-ZFWWWQNUSA-N 320.437 -0.201 30 20 DBED C#CCNC(=O)CN[C@H]1CC[C@H](NC(=O)Cc2cc[nH]n2)CC1 1753578854 HZYOITKMGNRMGL-JOCQHMNTSA-N 317.393 -0.281 30 20 DBED C#CCN1CCC(C(=O)N[C@@H](C)CCN[C@@H](C)C(N)=O)CC1 1754025712 PBMYFTFFZIVDJF-STQMWFEESA-N 308.426 -0.310 30 20 DBED COCC#CCNCCCN(C)C(=O)[C@@H]1CCNC(=O)CC1 1754386139 MTAHXDBXMAXJLJ-AWEZNQCLSA-N 309.410 -0.009 30 20 DBED Cn1ccc(C(=O)N[C@H](CNCC(=O)NCC#N)C2CC2)c1 1754439419 DLCDBWKAWGNSAU-CYBMUJFWSA-N 303.366 -0.237 30 20 DBED COCC1(C(=O)NC[C@@H]2CCN2CC(=O)NCC#N)CCC1 1754488974 NTTRGYRRJBJSKT-LBPRGKRZSA-N 308.382 -0.367 30 20 DBED C=CCOCC(=O)NCC1(O)CN([C@H](C)c2cnccn2)C1 1754764888 RFHAMCCCQUEKPA-GFCCVEGCSA-N 306.366 -0.097 30 20 DBED C#CCNC1CCN(CCNC(=O)c2[nH]c(O)nc2C)CC1 1754849116 GUUDERMPZJZJAK-UHFFFAOYSA-N 305.382 -0.159 30 20 DBED C#CCNC(=O)CNCCN(CCO)C(=O)c1cocc1C 1754888786 GIAWRBLELHAPCN-UHFFFAOYSA-N 307.350 -0.638 30 20 DBED Cn1nnnc1CN1CC2(C[C@H](NC(=O)C#CC3CC3)CO2)C1 1755061634 NFWFMJAYQUORQK-LBPRGKRZSA-N 316.365 -0.917 30 20 DBED COCC#CCN1CC2(C[C@H](NC(=O)Cc3cnc[nH]3)CO2)C1 1755063224 IIDYPDUBFJUMQB-AWEZNQCLSA-N 318.377 -0.439 30 20 DBED C=CCNC(=O)CN[C@H]1CN(C(=O)c2cccnn2)C[C@H]1C 1755118302 PFEBPWVDSAMWLY-YPMHNXCESA-N 303.366 -0.171 30 20 DBED CN(CC(=O)NCC#N)C[C@@H]1CCCN1C(=O)[C@@H]1CCN(C)C1 1755200199 ICBYCKCMQQXYTG-KGLIPLIRSA-N 321.425 -0.499 30 20 DBED CCc1cc(C(=O)N[C@@H](C)[C@H](C)NCC(=O)NCC#N)n[nH]1 1755226945 FJZIKMQMEZBOPQ-UWVGGRQHSA-N 306.370 -0.292 30 20 DBED C[C@H](NC(=O)c1cscn1)C1CN(CC(=O)NCC#N)C1 1755376213 YGVSRFDFGVQVCH-VIFPVBQESA-N 307.379 -0.167 30 20 DBED CC#CCN1C[C@@H]2C(CNC(=O)[C@H](C)N3C(=O)CCC3=O)[C@H]2C1 1755423449 AGUBQGRVWZPTOZ-IACUBPJLSA-N 317.389 -0.159 30 20 DBED C=CCN1C[C@H]2C(CNC(=O)Cn3nc(C)n(C)c3=O)[C@@H]2C1 1755433066 ALWVLYWKAALMKA-STQMWFEESA-N 305.382 -0.630 30 20 DBED COCC#CCN[C@H](C)[C@H]1CN(C(=O)Cn2cccn2)CCO1 1755437527 DYPMZNSRFBFKLH-HUUCEWRRSA-N 320.393 -0.262 30 20 DBED C#CCOCCC(=O)NC[C@H](CO)NC(=O)c1ccc(C)n1C 1756521079 JNDFPCOJQAGJEO-CYBMUJFWSA-N 321.377 -0.420 30 20 DBED C#CCN1CCC(C(=O)NC[C@@H](CO)NC(=O)[C@H](C)CC)CC1 1756526922 BBSUCUSCQFYLBS-HIFRSBDPSA-N 323.437 -0.029 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(C(=O)c2cc(C)co2)C[C@H]1O 1756996220 CXMCIXHEHRGMLT-CHWSQXEVSA-N 320.345 -0.071 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@H](O)[C@H](NC(=O)c2ccc[nH]2)C1 1757153272 REDAKOWSEZSOLS-RTXFEEFZSA-N 305.334 -0.646 30 20 DBED C=CCCC(=O)N1CC[C@@H]2CN(C(=O)c3nnn(C)n3)[C@@H]2C1 1757242739 RJUCJVQTCYDECN-GHMZBOCLSA-N 304.354 -0.151 30 20 DBED C#CCCCCC(=O)N1CC[C@@H](NC(=O)CC(N)=O)[C@H](O)C1 1757562349 GOLATJHEKSAQIX-VXGBXAGGSA-N 309.366 -0.867 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)NC[C@H]1CC(=O)N(C2CC2)C1 1771690401 VWKLMHFYYRKLGF-WDEREUQCSA-N 314.411 -0.077 30 20 DBED N#CCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CCCO3)C2)C1 1783480161 BLZFFCFFYMAYEL-DOMZBBRYSA-N 307.350 -0.091 30 20 DBED C[C@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)S)C2)C1 1783893795 GGACDJIRBHZHHX-OPQQBVKSSA-N 302.396 -0.485 30 20 DBED C[C@@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)C3(C#N)CCC3)C2)C1 1785369615 LDAYNJFJNYPTIL-MLGOLLRUSA-N 321.377 -0.109 30 20 DBED CO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)S 1800988989 DNFCCWHZBUEEIS-PZWNZHSQSA-N 316.423 -0.071 30 20 DBED CC(C)(C#N)C(=O)N1CC2(CCCN2C(=O)[C@H]2CNC(=O)C2)C1 1845995702 NHLCVPXPQQJKSK-LLVKDONJSA-N 318.377 -0.124 30 20 DBED C#CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](C)CS(C)(=O)=O 1847821481 OKVXKFWUPWPZJX-WOPDTQHZSA-N 312.391 -0.498 30 20 DBED C[C@H](C#N)CN(C)C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 53077078 UZQGRPSPBKOPJN-SECBINFHSA-N 318.337 -0.948 30 20 DBED CN(CCC#N)S(=O)(=O)NCC(C)(C)N1CCOCC1 75656109 MVSXBCSAKSZDSJ-UHFFFAOYSA-N 304.416 -0.223 30 20 DBED N#C[C@H]1CN(C(=O)CCn2nnc3ccccc3c2=O)CCO1 106051592 DPQUTCRMZCMWTI-NSHDSACASA-N 313.317 -0.067 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)C2=COCCC2)CC1 112904115 GGFXUVZAUVODNK-UHFFFAOYSA-N 305.378 -0.036 30 20 DBED COc1cc(C#N)ccc1CN1CCN(S(N)(=O)=O)CC1 120924313 LTPYNWQIMPILEI-UHFFFAOYSA-N 310.379 -0.112 30 20 DBED CC(=O)N[C@H](C)C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 160961104 YKVYZXPMFIVCBG-WDEREUQCSA-N 316.365 -0.090 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC(n2cc(C(=O)OC)nn2)CC1 183737636 DRRHBKNLKQPSMJ-NSHDSACASA-N 319.365 -0.161 30 20 DBED C/N=C(/NCc1nccn1C)N1CCN(C(C)(C)C(N)=O)CC1 261618876 BEAAXKVHIHDUGE-UHFFFAOYSA-N 321.429 -0.623 30 20 DBED C[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(N)=O 268705122 BSXNBYBQSCTFPT-RKDXNWHRSA-N 324.362 -0.785 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N1CC[C@H](NC(=O)NC2CC2)C1 274120623 AMDBDKMXGTZKHB-PWSUYJOCSA-N 323.397 -0.077 30 20 DBED CCCN(CC#CCN(CCC)CC(=O)NC)CC(=O)NC 276322549 PCTOHHNHNIZERR-UHFFFAOYSA-N 310.442 -0.094 30 20 DBED C=CC[C@@H](CO)NC(=O)/C(=N/OCC(=O)OCC)c1cc[nH]n1 278853786 WSZRKJRMFALQTG-LNLNWCRDSA-N 324.337 -0.253 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CCSC2)C1=O 287043892 SLWDDAMQDDJTQN-QWRGUYRKSA-N 311.407 -0.147 30 20 DBED Cn1nncc1/C(O)=N/[C@@H]1CC(=O)N(CCN2CCOCC2)C1 328854045 XJZSJFAJHJQIRX-LLVKDONJSA-N 322.369 -0.947 30 20 DBED CCN1CCCN(/C(O)=N/[C@H]2CCS(=O)(=O)C2)CC1=O 329863307 RTNSDFKGSCQBDT-JTQLQIEISA-N 303.384 -0.358 30 20 DBED CCN(CCC#N)S(=O)(=O)N1C[C@H](O)C[C@H]1C(=O)OC 337089760 ITZXHECZOHMEJW-ZJUUUORDSA-N 305.356 -0.925 30 20 DBED N#Cc1ccc(F)c(CS(=O)(=O)N(CCO)CCO)c1 341211941 GRSUKJWFCWMXKP-UHFFFAOYSA-N 302.327 -0.186 30 20 DBED COC(=O)CN(CC#N)CC(=O)N1CCN(C(=O)C2CC2)CC1 348508749 LGWMXUDWEAWBKJ-UHFFFAOYSA-N 322.365 -0.934 30 20 DBED N#Cc1cccc(NCC(=O)N2CCC[C@@](O)(C(N)=O)C2)c1 348795407 ICISMRKOTFCWIM-HNNXBMFYSA-N 302.334 -0.191 30 20 DBED CCOC(=O)c1cc(NC(=O)NCC(=O)NCC#N)cn1C 349910997 BLILBUCMSHEQQT-UHFFFAOYSA-N 307.310 -0.037 30 20 DBED COCCNC(=O)CNC(=O)C(=O)Nc1ccc(C#N)c(F)c1 354174174 OTYCHQXURXTLSB-UHFFFAOYSA-N 322.296 -0.485 30 20 DBED C=C[C@H](CO)NC(=O)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C 354714480 RXROVJWVBDWPGX-SECBINFHSA-N 318.333 -0.521 30 20 DBED C[C@H](C(=O)N(C)CCC#N)N1CCC[C@@H](CS(N)(=O)=O)C1 358181698 BAMCYLWYAQHHJW-VXGBXAGGSA-N 316.427 -0.253 30 20 DBED CC[C@H](O)CCNC(=O)C(=O)Nc1nn(C(C)C)cc1C#N 359339019 AKVMMZPCICNGDM-NSHDSACASA-N 307.354 0.551 30 20 DBED CS(=O)(=O)N1CCC[C@H](NS(=O)(=O)CCCC#N)C1 408128422 OILYUYLBSVGHFY-JTQLQIEISA-N 309.413 -0.366 30 20 DBED COC(=O)[C@@H](NS(=O)(=O)c1cnc(C)c(C#N)c1)[C@@H](C)O 489652986 KAQUIFHYKYXXTQ-KCJUWKMLSA-N 313.335 -0.538 30 20 DBED C#CCN(C)CCCNC(=O)C1(S(C)(=O)=O)CCOCC1 491429163 SCYAMOWYMMENLE-UHFFFAOYSA-N 316.423 -0.349 30 20 DBED C#CCN(C(=O)CCc1nc2c(O)nc(=O)n(C)c2[nH]1)C1CC1 491692781 SAMCPEUEGKGLTI-UHFFFAOYSA-N 315.333 -0.081 30 20 DBED N#CCNC(=O)CNS(=O)(=O)c1ccc(C(=O)O)c(F)c1 505853114 HBDXPWBNTDCOQU-UHFFFAOYSA-N 315.282 -0.558 30 20 DBED C[C@@H](C#N)CN(C)C(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C 516843954 QQNFLKLETMUICR-VIFPVBQESA-N 317.349 -0.193 30 20 DBED N#Cc1ccc(OC[C@H](O)CNC[C@H]2CC[C@@H](C(N)=O)O2)cc1 518362854 SWWQFGWEUBLRHL-YUELXQCFSA-N 319.361 -0.080 30 20 DBED CC(C)NS(=O)(=O)N1CCN(c2cncc(C#N)n2)CC1 568978767 KCYIIWUSLNUWTJ-UHFFFAOYSA-N 310.383 -0.287 30 20 DBED Cn1ccc(CCNC(=O)C(=O)N2CCN(CCC#N)CC2)n1 602262054 LAZSIDVKYZQDLH-UHFFFAOYSA-N 318.381 -0.863 30 20 DBED N#CC1(CS(=O)(=O)NCCC(=O)N2CCOCC2)CC1 613262235 YOFKVCNHKFMFCZ-UHFFFAOYSA-N 301.368 -0.542 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N(C)CC(C)(C)N)C1=O 662939145 CLYYQKCEKJXQAQ-LLVKDONJSA-N 310.398 -0.573 30 20 DBED C=CCN(CC=C)C(=O)COC(=O)CN1C(=O)C(=O)N(C)C1=O 733565527 UVMLNDZURJYMES-UHFFFAOYSA-N 323.305 -0.849 30 20 DBED C#CCN1CCC(C(=O)N2CCO[C@H](c3nn[nH]n3)C2)CC1 735375100 SVYYTUKPFMQKRL-LBPRGKRZSA-N 304.354 -0.555 30 20 DBED N#CCOc1cccc(CC(=O)NCCC(=O)NC(N)=O)c1 760685711 DHXJEVQPOUXSSP-UHFFFAOYSA-N 304.306 -0.167 30 20 DBED C[C@@H]1CC(=NC(=O)CCn2cc(S(N)(=O)=O)cn2)NO1 765385848 XLKROWUXOZYIGY-SSDOTTSWSA-N 301.328 -0.841 30 20 DBED C[C@@H](OC(=O)C1CC(=O)NC(=O)C1)C(=O)NC1(C#N)CCC1 787683749 ABVUQBASBGSBKJ-MRVPVSSYSA-N 307.306 -0.467 30 20 DBED COc1cc(C#N)ccc1S(=O)(=O)NC(=O)c1cnn(C)n1 793230990 XTRRBDLCEOWFMQ-UHFFFAOYSA-N 321.318 -0.186 30 20 DBED C=CCN1CC[C@H](OC(=O)CCCN2C(=O)CN(C)C2=O)C1=O 798583214 CATRSKZNCZIZLQ-NSHDSACASA-N 323.349 -0.009 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@H](O)c1cnn(C)c1 800062793 VSFRFANTUGUWBH-JQWIXIFHSA-N 315.399 -0.231 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)C(=O)N1CCC(C)CC1 805568584 UOLWGBMXYOTKTH-UHFFFAOYSA-N 311.338 -0.200 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1cc2n(n1)CCO2 811351460 PEZAZCOLLJMKPD-QMMMGPOBSA-N 308.294 -0.167 30 20 DBED C#C[C@H](CC)NC(=O)CS(=O)(=O)CC(=O)N[C@H](C#C)CC 847896522 CGIRZFLTVSMKET-VXGBXAGGSA-N 312.391 -0.543 30 20 DBED Cn1c(S)nnc1CCNC(=O)N1CCN(CCC#N)CC1 875712782 CHNDJECPMCLKRT-UHFFFAOYSA-N 323.426 -0.113 30 20 DBED C=CCN1CC[C@@H](OC(=O)Cn2ccc(C(=O)OC)n2)C1=O 885050858 PMVVNOGEAAUENJ-LLVKDONJSA-N 307.306 0.000 30 20 DBED CN(C(=O)[C@H]1CNC(=O)N1)[C@H]1CCN(C(=O)C#CC2CC2)C1 937352237 GUHXZSKPRHAEHR-NWDGAFQWSA-N 304.350 -0.860 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2cnc(O)n(C)c2=O)[C@H](C)C1 942552237 CUTRBYZMPTVULH-DGCLKSJQSA-N 318.377 -0.051 30 20 DBED C=CC(C)(C)C(=O)N1CCO[C@@H](CNC(=O)c2cnn(C)n2)C1 944671911 LAWWTMIPIBSJMH-NSHDSACASA-N 321.381 -0.016 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(NC(=O)[C@@H]2CCC(=O)NC2)CC1 948110215 UGYRLASOCVADRE-WDEREUQCSA-N 306.366 -0.221 30 20 DBED C=CCCN1CCOC2(CCN(C(=O)Cn3ncnn3)CC2)C1 949366039 QZAPVZZUMQSDMA-UHFFFAOYSA-N 320.397 -0.057 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cc(OC)nc(OC)c2)C1 958219630 LHQDDIANYWRJMN-QWHCGFSZSA-N 319.361 -0.246 30 20 DBED C#CCN1CCC(C(=O)N2C[C@H]3[C@@H](C2)OCCN3C(C)=O)CC1 959854474 RXXDIOTUFDHLSO-JKSUJKDBSA-N 319.405 -0.210 30 20 DBED CC#CCN1C[C@H]2C(NC(=O)c3ccc(S(N)(=O)=O)o3)[C@@H]2C1 960773104 IWZQDRYEALONDV-NXEZZACHSA-N 323.374 -0.390 30 20 DBED CC#CCN1C[C@H]2[C@H](NC(=O)Cn3nnnc3C(C)C)[C@H]2C1 961989769 YUNVPYMGGKUURV-IMRBUKKESA-N 302.382 -0.134 30 20 DBED Cn1cc(-c2n[nH]cc2C(=O)NC2[C@H]3CN(CC#N)C[C@H]23)cn1 962270693 KKMGZZRAGOEZML-RYUDHWBXSA-N 311.349 -0.006 30 20 DBED C=C[C@](C)(CC)C(=O)N1CCOC2(CN(C(=O)C(N)=O)C2)C1 965474148 WVZBEIZNWQNUTC-CQSZACIVSA-N 309.366 -0.486 30 20 DBED Cc1nn(CC(=O)NC2CC3(CC(NCC#N)C3)C2)c(=O)n1C 965889570 IOHFLVVCOAKBRT-UHFFFAOYSA-N 318.381 -0.569 30 20 DBED C#Cc1ccc(C(=O)N2C[C@@H](C)[C@@H](NC(=O)C(N)=O)C2)nc1 966646683 DHRJMODEWDKWPO-SKDRFNHKSA-N 300.318 -0.875 30 20 DBED C[C@@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)[C@H]1CCC(=O)N1)C2 969805088 IWDBYASEHLGKLF-FIQHERPVSA-N 304.350 -0.374 30 20 DBED C[C@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)[C@H]1CCNC1=O)C2 969812225 VSBFANXBHANFCW-RHYQMDGZSA-N 304.350 -0.516 30 20 DBED CN1C[C@H](C(=O)N2CC[C@]3(CN(CC#N)CCO3)C2)CCC1=O 972689402 XMILOLXSPNFUMT-CJNGLKHVSA-N 320.393 -0.318 30 20 DBED C[C@H](C(=O)N[C@@H]1CN(CC#N)CC1(C)C)N1C(=O)CCC1=O 974630199 CINQNTQVSZKNBT-GHMZBOCLSA-N 306.366 -0.126 30 20 DBED COCCN1C[C@H](C(=O)N[C@H]2CN(CC#N)CC2(C)C)CC1=O 974642927 MWPFCLAIZSSSSW-OLZOCXBDSA-N 322.409 -0.169 30 20 DBED Cn1nccc1CC(=O)N[C@H]1[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]21 976422362 WJWGRDCWUJWRLD-HALDLXJZSA-N 312.373 -0.051 30 20 DBED N#CCN1C[C@H]2C(CNC(=O)c3ccc4nnc(O)n4c3)[C@@H]2C1 978854065 JSHOFFJVEKQRQE-RYUDHWBXSA-N 312.333 -0.134 30 20 DBED N#Cc1c[nH]c(C(=O)N2C[C@H]3CCN(C(=O)C(N)=O)C[C@H]3C2)c1 985902165 RPYMRWICFXPLDH-MNOVXSKESA-N 315.333 -0.708 30 20 DBED C=CCN[C@H]1CCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)[C@H]1C 987104452 PUKGDFYKZUTDPL-UWVGGRQHSA-N 308.338 -0.828 30 20 DBED C#CCN[C@@H]1CCC[C@@H]2CN(C(=O)CN3CCOCC3=O)C[C@H]21 992718145 XQEUYJVTXHBDFC-RBSFLKMASA-N 319.405 -0.305 30 20 DBED C#CCN[C@@H]1CCC[C@H]2CN(C(=O)c3nnc(O)nc3O)C[C@@H]21 992747658 XHNQAPZFEBQILZ-GARJFASQSA-N 317.349 -0.254 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC(NC(=O)C[C@@H]3CCC(=O)N3)C2)c1 995386122 ZTHNWRXYHMAECA-JTQLQIEISA-N 315.333 -0.504 30 20 DBED C=CCn1cc(C(=O)N2CC(NC(=O)Cc3ncc[nH]3)C2)nn1 998387994 WPAUUQGBSGCZRV-UHFFFAOYSA-N 315.337 -0.630 30 20 DBED C[C@H](NC(=O)[C@@H]1COCCO1)C1CN(C(=O)C#CC2CC2)C1 1005735395 ZBWRTEQUQXXQSP-FZMZJTMJSA-N 306.362 -0.222 30 20 DBED N#Cc1cccc(CN2CC[C@H](NC(=O)[C@H]3CNC(=O)N3)C2)c1 1015636014 ZNPIVPVASCLPAN-UONOGXRCSA-N 313.361 -0.070 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCN(C(=O)CCn3cnnn3)C2)C1 1019363484 VKVCLOHKPCXKIR-NSHDSACASA-N 317.353 -0.716 30 20 DBED N#Cc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn[nH]c3)C2)c[nH]1 1023109652 RYDXHSTXITYVRI-VXGBXAGGSA-N 314.305 -0.775 30 20 DBED COCc1nocc1C(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1O 1024691905 PNXNJHQKOLCVID-MKPLZMMCSA-N 322.321 -0.718 30 20 DBED C#CCN[C@@H]1CC[C@H]2CN(C(=O)CN3C(=O)CCC3=O)C[C@@H]21 1026416708 XZIHEKGEZJFMAT-RWMBFGLXSA-N 303.362 -0.405 30 20 DBED Cc1cn2nc(C(=O)NC[C@@H]3CCN(CC#N)C3)cc2c(=O)[nH]1 1028712891 DRAYVQRXNNMWJS-NSHDSACASA-N 314.349 -0.094 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)C3=COCCO3)C2)C1=O 1030075866 VUAYFXKZAKMMLX-LBPRGKRZSA-N 307.350 -0.538 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)C3CN(C(C)=O)C3)C2)C1=O 1030254958 QKXQDPOYEYFZRO-AWEZNQCLSA-N 320.393 -0.948 30 20 DBED C=C(C)CCN1CC(NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 1031116129 BZGSELLPCXLPLA-UHFFFAOYSA-N 316.365 -0.162 30 20 DBED CC#CCN1CC(CNC(=O)[C@@]23C[C@H]4C[C@H](C(=O)N2)[C@H]3C4)C1 1031795746 WKRKNBPWWCWGQU-DPYKFYPSSA-N 301.390 -0.028 30 20 DBED CC#CCN1CC(CNC(=O)c2cn(C[C@H]3CCOC3)nn2)C1 1032082632 GCEAEZOTHPZBOP-CYBMUJFWSA-N 317.393 -0.001 30 20 DBED CC#CCN1CCCC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 1034220629 UXIVNHWHTDYDAY-GFCCVEGCSA-N 318.381 -0.629 30 20 DBED C#CCN1CCCC[C@@H](NC(=O)c2cn(C)c(=O)nc2O)C1 1034523095 BCSLZDKMMJALFT-LLVKDONJSA-N 304.350 -0.297 30 20 DBED C=CCN[C@H]1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)CC1 1034649864 YJMQKTKFJARORS-XYPYZODXSA-N 306.370 -0.420 30 20 DBED C=CCn1cccc1C(=O)NC[C@H]1CN(CC(N)=O)CCO1 1035398312 LUBOLTCKFGMQFM-LBPRGKRZSA-N 306.366 -0.410 30 20 DBED C=CCN1CCO[C@@H](CNC(=O)c2ccc3nnnn3c2)C1 1035444207 MZRRXNAIACVFPB-LBPRGKRZSA-N 302.338 -0.259 30 20 DBED C#CCCN1CCO[C@H](CNC(=O)c2ccc(=O)n(CC)n2)C1 1035550232 CZVHUIYCDWQSNQ-CYBMUJFWSA-N 318.377 -0.283 30 20 DBED CC#CCN1CCO[C@@H](CNC(=O)[C@@H]2CCC(=O)N(C)C2)C1 1035616982 PFEFPHJTZIMNNB-KGLIPLIRSA-N 307.394 -0.305 30 20 DBED Cc1nc(O)nc(O)c1CC(=O)N[C@H]1[C@H]2C[C@H]1N(CC#N)C2 1037635437 ONQAHKCFTWDMNC-XRNSZHNASA-N 303.322 -0.549 30 20 DBED C=CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1cc(=O)n2[nH]cnc2n1 1037675463 TVPUWHZHWHMSRU-UBHAPETDSA-N 300.322 -0.594 30 20 DBED C#CCCN1C[C@H]2C[C@H]1[C@H]2NC(=O)CN1C(=O)CN(C)C1=O 1037713839 QTGIDPNNDNCJCB-SUNKGSAMSA-N 304.350 -0.907 30 20 DBED C=C(C)CN1CC[C@@H]1CNC(=O)[C@@H]1CCN(C)S1(=O)=O 1038801389 MKYSSCPEGIQMFN-NEPJUHHUSA-N 301.412 -0.213 30 20 DBED C[C@H]1[C@@H](Nc2nccnc2C#N)CCN1C(=O)[C@H]1COC(=O)N1 1040114260 XHEZBUXGMFMOAE-ATZCPNFKSA-N 316.321 -0.142 30 20 DBED Cc1nnsc1C(=O)N1CC[C@@](O)(CNC(=O)[C@H](C)C#N)C1 1040763602 QJUZJXGPQQBJFM-AMIZOPFISA-N 323.378 -0.301 30 20 DBED C[C@]1(C(=O)N[C@@H]2CN(c3ccnc(C#N)n3)C[C@H]2O)CCOC1 1041147816 PPRYPCGJHMLISQ-HFAKWTLXSA-N 317.349 -0.559 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC(O)(CNC(=O)c3ccc[nH]3)C2)c1 1041438184 JMKFMPVDLPMSEA-UHFFFAOYSA-N 313.317 -0.169 30 20 DBED O=C(C[C@H]1CCCO1)NCC1(O)CN(C(=O)C#CC2CC2)C1 1041653152 URPQGAQVTOMGKV-CYBMUJFWSA-N 306.362 -0.342 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)Cn2cc(C)cn2)C1 1041775606 DBTVKQGLOQXEPG-UHFFFAOYSA-N 322.365 -0.916 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)c2ccnnc2C)C1 1042799479 NHCAEWGPLDPLCF-UHFFFAOYSA-N 316.361 -0.108 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NCC1(O)CN(C(=O)C2CC2)C1 1043028482 NDDSELSTZYDZBL-ZDUSSCGKSA-N 323.393 -0.443 30 20 DBED C[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)C[C@H]1Nc1ccc(C#N)nn1 1043474526 PJCGAUJBELCTHC-DVVUODLYSA-N 315.337 -0.712 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)C2(C(=O)NC)CC2)C1 1043845933 MQIZGYHDSBRDGT-UHFFFAOYSA-N 309.366 -0.832 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)c2csnn2)C1 1044094793 YHKLEJWDTHZJBI-UHFFFAOYSA-N 312.351 -0.956 30 20 DBED Cc1ncc(C(=O)NCC2(O)CN(C(=O)[C@@H](C)C#N)C2)c(C)n1 1044745226 ZCSKIFLBWKKKGK-VIFPVBQESA-N 317.349 -0.444 30 20 DBED C[C@@H]1C[C@H](NCC#N)CCN1C(=O)c1cn(C)c(=O)nc1O 1044860728 KMMQROXBTOQYGT-NXEZZACHSA-N 305.338 -0.408 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)C2CCN(C)CC2)C1 1045551947 OVHRSXLNMONADJ-NSHDSACASA-N 308.382 -0.823 30 20 DBED C#CCN1CC[C@@](C)(NC(=O)[C@H]2CCc3nnnn3CC2)C1 1046638581 XNDLFIKNCNMUJG-SWLSCSKDSA-N 302.382 -0.161 30 20 DBED C=C(C)CN1C[C@H](O)[C@@H](N(C)C(=O)c2cc3n(n2)CCO3)C1 1047409456 NAEBIOVYZKGJJG-STQMWFEESA-N 306.366 -0.031 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3cncn3C2)C1 1047434944 BWXRZHDLPCPAIA-KBMXLJTQSA-N 316.405 -0.028 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cncnc2)C1 1048718012 HDXGDAQUXOYWPG-KBPBESRZSA-N 316.361 -0.076 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)c2ccc(O)nc2)C[C@@H]1O 1049402504 SUFHABZOTLSOAH-DLOVCJGASA-N 318.333 -0.409 30 20 DBED C#CCCN1CCOC[C@@H]1CNC(=O)c1c(C)ncnc1O 1051079470 RQMKMGXBPYXXIG-LBPRGKRZSA-N 304.350 -0.055 30 20 DBED C=C(C)CN1CCN([C@H]2CCN(C(=O)Cn3cnnn3)C2)CC1 1051978403 QUDJBPNGQXYXMM-AWEZNQCLSA-N 319.413 -0.532 30 20 DBED CC#CCN1CCC[C@H](NC(=O)c2nnc(O)nc2O)CC1 1052532189 ZHPQEOOPHOYUQR-JTQLQIEISA-N 305.338 -0.110 30 20 DBED C#CCN1CC2(CC[C@H](CNC(=O)[C@@H]3CCN(C(C)=O)C3)O2)C1 1053689933 FWAWCSNCIHBIEJ-HUUCEWRRSA-N 319.405 -0.162 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)[C@H]3C[C@@H](C)CC(=O)N3)CO2)C1 1053804866 IMLXOKILEUGBAD-JHJVBQTASA-N 305.378 -0.506 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)c3cnn4ncccc34)CO2)C1 1053830615 HBOOEXPXGMQDGY-LBPRGKRZSA-N 311.345 -0.064 30 20 DBED C#CCN1CC[C@]2(CCCN(C(=O)CN3CCOCC3=O)C2)C1 1054146580 MUOMNMVUNVOWAU-QGZVFWFLSA-N 319.405 -0.207 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2CN(C(=O)[C@H](O)C(C)C)C[C@@H]2C1 1055317470 RBMJFOPOPQVXBK-BYNSBNAKSA-N 322.405 -0.042 30 20 DBED CC(C)C#CC(=O)N1C[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@@H]2C1 1055329922 XTOYDPYIVACAQK-RQJABVFESA-N 317.389 -0.316 30 20 DBED C=CCCC(=O)N1CCC[C@](CO)(NC(=O)[C@@H]2CCC(=O)N2)C1 1056030129 CSRASPJKNUAVDY-LRDDRELGSA-N 323.393 -0.299 30 20 DBED Cc1cc(CC(=O)N(CCO)CCNC(=O)[C@H](C)C#N)n(C)n1 1058082858 JECRDBQGDREEIP-LLVKDONJSA-N 321.381 -0.632 30 20 DBED N#Cc1cncc(N2CCC[C@@H](NC(=O)[C@H]3COCCO3)C2)n1 1058120645 SWKJZJBNIWRJKH-DGCLKSJQSA-N 317.349 -0.151 30 20 DBED COc1cc(C(=O)N(CCO)CCNC(=O)[C@H](C)C#N)nn1C 1058208076 HPYVEJIGBJQOFU-SNVBAGLBSA-N 323.353 -0.861 30 20 DBED O=C(C#CC1CC1)NCCN(CCO)C(=O)[C@]1(F)CCOC1 1058493487 VERIHJJABCFXHS-HNNXBMFYSA-N 312.341 -0.535 30 20 DBED C#CCOCCC(=O)NCCN(CCO)C(=O)c1ccncn1 1058503605 OVGUMGRZTAHPSL-UHFFFAOYSA-N 320.349 -0.933 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)[C@@H]1CCCOCC1 1058653070 LSLFGLZNIGLYAT-CHWSQXEVSA-N 311.382 -0.100 30 20 DBED COc1ncccc1C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N 1058656823 LEPYMXQBPLQDCF-NSHDSACASA-N 320.349 -0.199 30 20 DBED CN(C[C@@H]1CCCN(C(=O)C(N)=O)C1)c1cncc(C#N)n1 1058702237 LMSPTRYCMAGZIN-JTQLQIEISA-N 302.338 -0.492 30 20 DBED C#CCOCCC(=O)N1CCC2(CC1)CN(C(=O)CC(N)=O)C2 1060958502 SJFMOMFXZOCTEY-UHFFFAOYSA-N 321.377 -0.647 30 20 DBED O=C(C#CC1CC1)NC[C@H]1COCCN1C(=O)Cc1cnc[nH]1 1061571965 KZQBIDRRHYXUKL-AWEZNQCLSA-N 316.361 -0.291 30 20 DBED COC[C@@H](OC)C(=O)NC[C@@H]1COCCN1C(=O)C#CC1CC1 1061880076 ATGRTNDUKBNTCR-ZIAGYGMSSA-N 324.377 -0.595 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CCCCN1C(=O)CCn1cnnn1 1062324077 MWPDGKCQYVPWTO-NWDGAFQWSA-N 319.369 -0.280 30 20 DBED C#CCNC(=O)CC(=O)NCC1(NC(=O)COCC=C)CCC1 1062829644 VUEWCXFMAZRVRC-UHFFFAOYSA-N 321.377 -0.516 30 20 DBED CC(C)(C)C#CC(=O)NC[C@@H]1CN(C(=O)CNC(N)=O)CCO1 1064838773 KNRSRSIVKDZKHK-LLVKDONJSA-N 324.381 -0.952 30 20 DBED Cc1nnsc1C(=O)N1CCO[C@@H](CNC(=O)[C@H](C)C#N)C1 1064842331 BQVIVAWFGOYIOK-SCZZXKLOSA-N 323.378 -0.037 30 20 DBED CC(C)C#CC(=O)N1CCO[C@@H](CNC(=O)C2(C(N)=O)CC2)C1 1065129475 RLNZSUKGBVHPNB-LBPRGKRZSA-N 321.377 -0.745 30 20 DBED Cc1cnn(C)c1C(=O)N1CCO[C@@H](CNC(=O)[C@H](C)C#N)C1 1065475167 MJWHHLCNBNRYDA-PWSUYJOCSA-N 319.365 -0.155 30 20 DBED C=CCCCC(=O)N1CCO[C@@H](CNC(=O)CC(=O)NC)C1 1065543887 HSTBGIXSLSNFIF-LBPRGKRZSA-N 311.382 -0.178 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CN(C(=O)c2n[nH]cc2F)CCO1 1065585089 KBZKOMQBIBVDHW-RKDXNWHRSA-N 309.301 -0.334 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)Cc2nc[nH]n2)CCO1 1065642583 VBDHJRGUHVNBQS-GFCCVEGCSA-N 319.365 -0.650 30 20 DBED CCOCC(=O)N1CC[C@H](N2CCN(C(=O)[C@H](C)C#N)CC2)C1 1065683056 SFVMMLIJHJGGQZ-KGLIPLIRSA-N 322.409 -0.072 30 20 DBED N#Cc1cnc(NCC2CC(NC(=O)[C@H]3CCNC3=O)C2)cn1 1067876798 ZGCXYAYBHLQXCY-CBINBANVSA-N 314.349 -0.209 30 20 DBED C=CCCC(=O)N[C@H]1COC2(C1)CN(C(=O)CC(=O)NCC)C2 1068753891 VDDLNCUBSOABSG-GFCCVEGCSA-N 323.393 -0.035 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1COC2(C1)CN(C(=O)c1cc[nH]n1)C2 1069004567 XCQJZTMBORJWJB-NXEZZACHSA-N 303.322 -0.331 30 20 DBED N#Cc1cnc(N2CC[C@]3(NC(=O)C(N)=O)CCC[C@H]23)cn1 1069282786 RJNJXJGKPURVDF-IINYFYTJSA-N 300.322 -0.549 30 20 DBED Cc1nnc(CC(=O)N[C@@H]2CN(CC#N)C[C@@H]2n2ccnn2)o1 1069920251 DGGWEPFQHZRNBA-MNOVXSKESA-N 316.325 -0.923 30 20 DBED C=C(Cl)CN1C[C@H](n2ccnn2)[C@H](NC(=O)c2cnn[nH]2)C1 1069966938 CKZJABWDTLVVLA-MNOVXSKESA-N 322.760 -0.196 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCCN(C(=O)c2ccon2)C1 1070488178 TYIIBSXIHNZGJQ-LLVKDONJSA-N 318.333 -0.465 30 20 DBED N#CCN1C[C@H]2C[C@@H]3CN(C(=O)c4nccnc4N)C[C@@]3(C1)O2 1070778931 YQCAHSSABRXPOF-UEKVPHQBSA-N 314.349 -0.502 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)c2cnn(C)c2C)CC1 1070937242 NNSFCMLWWXOREI-UHFFFAOYSA-N 317.393 -0.374 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 1070996250 NLFMBRJOTCCLTK-MRXNPFEDSA-N 322.453 -0.144 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(C(=O)c2ccco2)C[C@H]1C 1071489458 XBTFICHGRCWNBS-VXGBXAGGSA-N 317.345 -0.004 30 20 DBED C=CCOCC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2(C(=O)NC)CC2)C1 1071809547 WEADBBKTVGJJQC-NEPJUHHUSA-N 323.393 -0.322 30 20 DBED C#CCCN1C[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)CC[C@H]1C 1071989771 RGHPCOMZFFMIFQ-OLZOCXBDSA-N 320.393 -0.127 30 20 DBED CC#CCN1CCC2(C1)CN(C(=O)c1cc(=O)n(C)cn1)C2 1072826484 WRHCPNXZMXCNHG-UHFFFAOYSA-N 300.362 -0.049 30 20 DBED N#CCN1CCO[C@@H]2CCN(C(=O)c3cc(C(N)=O)co3)C[C@@H]21 1074338967 PJPYEOMGJOCQAI-NWDGAFQWSA-N 318.333 -0.183 30 20 DBED C=CCN1CCO[C@H]2CCN(C(=O)CN3CC(=O)NC3=O)C[C@@H]21 1074360951 UMXNVYHHLMURGT-RYUDHWBXSA-N 322.365 -0.974 30 20 DBED C#CCCCC(=O)N[C@@H]1CCN(C(=O)Cn2cnnn2)[C@@H](C)C1 1074960424 KQYVCQNGVXQLDI-QWHCGFSZSA-N 318.381 -0.028 30 20 DBED CC(=O)N(C)CC(=O)N[C@@H](C)CCNC(=O)CSCC#N 1075675688 JZAKASMEUGTALE-JTQLQIEISA-N 314.411 -0.268 30 20 DBED C=CCOCCCC(=O)NCC[C@H](C)NC(=O)Cn1ncnn1 1076034313 JKRJECZXBHJESF-LBPRGKRZSA-N 324.385 -0.333 30 20 DBED C[C@@H](CCNC(=O)C#CC1CC1)NC(=O)CN1CCCNC1=O 1076424094 FVJHZXBIISMPEN-LBPRGKRZSA-N 320.393 -0.174 30 20 DBED C#CCCN1C[C@@H]2CCN(C(=O)C[C@@H]3CC(=O)NC3=O)[C@@H]2C1 1076645691 NQIJUYGCWIHWMI-RWMBFGLXSA-N 303.362 -0.405 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN2c2nccs2)C1 1077446271 AOUWYWIYFXVHRE-GRYCIOLGSA-N 321.406 -0.203 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)c2cnc3c(cnn3C)c2)C1 1077893882 KWRBOQVLROANSU-CHWSQXEVSA-N 301.350 -0.071 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)c2cn(C3CCOCC3)nn2)C1 1077961620 VYJRNPAGGKZYAS-TZMCWYRMSA-N 321.381 -0.410 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)c2ccnc3nc(C)nn23)C1 1077994526 NMTKVWCLNCQBGF-ZYHUDNBSSA-N 302.338 -0.606 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)C1 1078124519 VFDQQNNORCJVDI-GHMZBOCLSA-N 324.381 -0.946 30 20 DBED C=CCOCC(=O)N(CC)C1CN(C(=O)Cc2nc[nH]n2)C1 1079491266 AHZXQXCEOPWPST-UHFFFAOYSA-N 307.354 -0.391 30 20 DBED CCN(C(=O)COCCN(C)C)C1CN(C(=O)[C@@H](C)C#N)C1 1080138355 HCPPVYIFIOMLKZ-LBPRGKRZSA-N 310.398 -0.216 30 20 DBED N#CCSCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2cocn2)C1 1081341617 RYNQHANPTNEICH-MWLCHTKSSA-N 324.362 -0.520 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](CNC(=O)CC(=O)NC)[C@@H](O)C1 1081433977 PLGSGXOILJYXTJ-QWRGUYRKSA-N 311.382 -0.730 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@H](CNC(=O)Cc2ccnn2C)C1 1081444477 JJYKQJHVUQSLAK-OCCSQVGLSA-N 320.393 -0.136 30 20 DBED C=CCCN1C[C@@H](NC(=O)[C@@H](C)N2C(=O)CCC2=O)[C@H](OC)C1 1081759020 KZLVMCCAARGXSX-JHJVBQTASA-N 323.393 -0.085 30 20 DBED C=CCOCC(=O)N1CCCC[C@H]1CNC(=O)[C@H]1CCNC1=O 1081960349 UYGXEEFRZUTERX-STQMWFEESA-N 323.393 -0.178 30 20 DBED C#CCN[C@H]1C[C@@H](CNC(=O)[C@H]2C[C@H](OC)CN2C(C)=O)C1 1086160346 LFDAGBLCLATMBV-LJISPDSOSA-N 307.394 -0.260 30 20 DBED C#CCCN1C[C@H]2CC[C@H]1[C@H]1CN(C(=O)Cn3ncnn3)C[C@@H]21 1087358149 CEODFJLYKXMKFA-QPSCCSFWSA-N 314.393 -0.135 30 20 DBED COc1ccc([C@@H]2CCN(CC#N)C[C@@H]2NC(=O)C(N)=O)cc1 1087475415 GVLVGGIVONRMFU-KBPBESRZSA-N 316.361 -0.022 30 20 DBED C[C@H](C(=O)N1C[C@H]2CCN(CC#N)C[C@H]2C1)N1C(=O)CCC1=O 1087985965 NYONMYTWFXBBGY-UPJWGTAASA-N 318.377 -0.172 30 20 DBED C#CCCN1CC[C@H](NC(=O)[C@@H]2CCN(C)S2(=O)=O)[C@H]1C 1088913311 PPESLABUAWJOTE-AGIUHOORSA-N 313.423 -0.377 30 20 DBED N#Cc1cnccc1N1C[C@@H](O)[C@H](NC(=O)CCCC(N)=O)C1 1090442957 LHGPWNOETIDDDR-DGCLKSJQSA-N 317.349 -0.725 30 20 DBED C=CCN1CC[C@H](NC(=O)C(=O)N2CCC(C)CC2)[C@H](O)C1 1090630015 URMJRHTWAJRYAF-UONOGXRCSA-N 309.410 -0.018 30 20 DBED CCO[C@H](C)C(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1091081720 HONZBUDZKSMOPI-JLLWLGSASA-N 305.338 -0.561 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H]1CCCC[C@H]1NC(=O)CNC(N)=O 1091232069 HZTYOZOFYRWULK-CHWSQXEVSA-N 316.365 -0.117 30 20 DBED CN(CCOCCN(C)c1ccc(C#N)nn1)C(=O)CC(N)=O 1091887048 DPYSWBUOUZZUCG-UHFFFAOYSA-N 320.353 -0.865 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nccn2nnnc12 1092811900 XXMJDOWPZHETFI-ZNSHCXBVSA-N 312.337 -0.095 30 20 DBED CC(=O)N(C)CC(=O)NC1[C@@H]2CN(c3cncc(C#N)n3)C[C@@H]12 1093217292 JFWKJZABWRTZCK-VXGBXAGGSA-N 314.349 -0.623 30 20 DBED CC(=O)N(C)CC(=O)NC1[C@@H]2CN(c3cnc(C#N)cn3)C[C@@H]12 1093218580 VZEPXPXHGVXEKR-VXGBXAGGSA-N 314.349 -0.623 30 20 DBED CCc1nc(C#N)cc(NCCCNC(=O)[C@H](C)NC(N)=O)n1 1094379031 IQMUOWXKKAXDSH-VIFPVBQESA-N 319.369 -0.114 30 20 DBED CC#CCN1CCN(C(=O)[C@@H]2C[C@H]2C)[C@@H]2CS(=O)(=O)C[C@@H]21 1094653576 NADCXVXHCKXZOA-YIYPIFLZSA-N 310.419 -0.025 30 20 DBED CN1CCC[C@@H]1C(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1 1094713684 FICNIRUURYOOOV-DGCLKSJQSA-N 305.382 -0.995 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)c3cnc(C)[nH]3)CC2=O)C1 1094715456 MTVXEJUDCNAAKK-LLVKDONJSA-N 303.366 -0.081 30 20 DBED Cc1cnoc1C(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1 1094804502 VCCUCKUETDSISS-JTQLQIEISA-N 303.322 -0.479 30 20 DBED Cc1cc(N(C)[C@@H]2CCN(C(=O)CNC(N)=O)C2)c(C#N)cn1 1095091498 MWCAAAWOFSBLJI-GFCCVEGCSA-N 316.365 -0.033 30 20 DBED CCN(CCCNC(=O)CNC(N)=O)c1ccncc1C#N 1095834467 WLBLNUBMKLYSJR-UHFFFAOYSA-N 304.354 -0.046 30 20 DBED N#Cc1ccc(N2CCC[C@@H](NC(=O)C3(C(N)=O)CC3)C2)nn1 1096228055 GSZNYPOSTWCILJ-LLVKDONJSA-N 314.349 -0.301 30 20 DBED CNC(=O)NCC(=O)N1CC[C@H](Nc2ccc(C#N)nc2)C1 1096979691 CUYZUFMHNQVZHR-LBPRGKRZSA-N 302.338 -0.105 30 20 DBED CC(=O)NCC(=O)NC[C@@H]1CCCCN1c1ccnc(C#N)n1 1097385625 NDSHKDZWWLHQJV-LBPRGKRZSA-N 316.365 -0.041 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CCS(=O)(=O)C1)N=c1cc[nH]c(C#N)n1 1098137177 WEADXXAEAPYNHQ-VHSXEESVSA-N 323.378 -0.879 30 20 DBED C[C@@H](CNC(=O)CCS(C)(=O)=O)Nc1ccc(C#N)nn1 1098392366 DNJMYYANOKKHRF-VIFPVBQESA-N 311.367 -0.300 30 20 DBED C[C@H](CCNC(=O)[C@@H]1COCCN1C)Nc1cncc(C#N)n1 1099022962 YGYFMQMRAVLRND-YPMHNXCESA-N 318.381 -0.014 30 20 DBED C#CCN1CC(C)(C)CC[C@H]1CNC(=O)Cn1ncn(C)c1=O 1099130869 UCRFRFDEODVCEW-ZDUSSCGKSA-N 319.409 -0.178 30 20 DBED Cc1nc(CN2CC[C@@H](NC(=O)CSCC#N)[C@H](O)C2)n[nH]1 1099692951 JTOZDAXAAREVMA-GHMZBOCLSA-N 324.410 -0.579 30 20 DBED COCC#CCN1CC[C@H](NC(=O)CC2(O)CCC2)[C@@H](O)C1 1099823572 FPZXEFGLVBVTME-KBPBESRZSA-N 310.394 -0.507 30 20 DBED CC#CCCCC(=O)N[C@@H]1CCN(CC(=O)NCC#N)C[C@@H]1O 1099960196 PWGCTABFSAQLPD-KGLIPLIRSA-N 320.393 -0.629 30 20 DBED CN(CCNC(=O)[C@@H]1CCNC(=O)C1)c1ccc(C#N)nn1 1100006695 IOXGNSPFVXNZKF-SNVBAGLBSA-N 302.338 -0.573 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CCCS(C)(=O)=O)[C@@H](O)C1 1100032653 ZFQPMDBREDVXBW-OLZOCXBDSA-N 316.423 -0.614 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CCc2cncn2C)[C@@H](O)C1 1100094937 VHQHLNBIKOXOIX-CABCVRRESA-N 304.394 -0.073 30 20 DBED Cc1cc(C#N)nc(NCCN(C)C(=O)[C@@H]2CN(C)CCO2)n1 1101538345 TYEYGFVRMDICLE-ZDUSSCGKSA-N 318.381 -0.142 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)c2cn[nH]c2)C1 1101746603 GNBROOMRVGXNSV-DGCLKSJQSA-N 303.366 -0.543 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1CNC(=O)[C@H]1CCCN1C 1101819447 IIANUYZQAMICMS-MGPQQGTHSA-N 321.425 -0.596 30 20 DBED CN(CCNc1cncc(C#N)n1)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 1101960268 KMONYFBKABHZPR-WDEREUQCSA-N 318.337 -0.749 30 20 DBED C=CCN1C[C@@H](C)[C@H](CNC(=O)[C@H](CCC(N)=O)NC(C)=O)C1 1102469774 XLBBVZFPHZQUHU-BNOWGMLFSA-N 324.425 -0.373 30 20 DBED CC[C@H](CNC(=O)[C@H]1CN(C)CCO1)Nc1ccc(C#N)nn1 1103032555 LOOWDOMRSQXUNE-DGCLKSJQSA-N 318.381 -0.014 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)[C@@H]1CCNC(=O)C1 1103911303 SYYFOIZLGFNNPY-WDEREUQCSA-N 316.365 -0.539 30 20 DBED Cc1cc(=NC[C@@H](C)CNC(=O)[C@H]2C[C@H]2C(N)=O)c(C#N)c[nH]1 1104210221 JXCIUUCNRNXNSF-WQAKAFBOSA-N 315.377 -0.031 30 20 DBED CCC(=O)NCC(=O)N(C)CCN(C)c1cnc(C#N)cn1 1105370722 JZOOTALMAHGCGG-UHFFFAOYSA-N 304.354 -0.231 30 20 DBED Cc1nc(NC[C@@H](O)CNC(=O)C#CC(C)C)nc(N(C)C)n1 1105812041 PKGBZJNRORLOPE-LBPRGKRZSA-N 320.397 -0.206 30 20 DBED CCn1nncc1C(=O)NC[C@H](O)CNc1nccnc1C#N 1105823052 ZVSJHAOWFGUXFQ-SECBINFHSA-N 316.325 -0.838 30 20 DBED CCN(C)CCC(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1 1105944629 VXEBKGJRZWHDTL-NSHDSACASA-N 306.370 -0.999 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)c2cc(=O)n(C)o2)C[C@H]1C 1106056317 LUSUTBRJFVXXAN-CHWSQXEVSA-N 321.377 -0.074 30 20 DBED CN(C)CCCC(=O)NC[C@@H](O)CN=c1cc[nH]cc1C#N 1106075992 MXOSJVMMAHQHRK-ZDUSSCGKSA-N 305.382 -0.394 30 20 DBED CCN(CCNc1nccnc1C#N)C(=O)C1CS(=O)(=O)C1 1106849515 KDPDRCJSQBPHKF-UHFFFAOYSA-N 323.378 -0.347 30 20 DBED Cc1ccc(=O)n(CC(=O)N2C[C@@H](C)[C@H](CNCC#N)C2)n1 1106903330 KCSRBFJWROLJKR-DGCLKSJQSA-N 303.366 -0.241 30 20 DBED CCN(CCNc1nc(C)cc(C#N)n1)C(=O)CNC(=O)NC 1106983405 JHMMYHUIQPKMBC-UHFFFAOYSA-N 319.369 -0.154 30 20 DBED COC(=O)NCC(=O)NC/C=C\CN=c1cc[nH]cc1C#N 1107057582 GAFRQZCBSJNKDF-IHWYPQMZSA-N 303.322 -0.185 30 20 DBED C=CCCN1CC(n2cc(CNC(=O)[C@@H](C)NC(C)=O)nn2)C1 1107120241 ZYRCLTFUURBCNV-LLVKDONJSA-N 320.397 -0.148 30 20 DBED C#CCNC(=O)CN1CCO[C@@](C)(CNC(=O)[C@@H](C)CC)C1 1107752032 NMLGIXSHXGWZCM-BBRMVZONSA-N 309.410 -0.011 30 20 DBED CNC(=O)NC(C)(C)C(=O)N[C@@H](C)CN=c1cc[nH]cc1C#N 1108405488 DZBSUDBCBYZPEO-JTQLQIEISA-N 318.381 -0.001 30 20 DBED COCC#CCN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1nccn1)C2 1108693454 IBUMEPAWTYBWQG-ZNMIVQPWSA-N 317.393 -0.103 30 20 DBED C[C@H](CN(C)c1cncc(C#N)n1)NC(=O)Cn1nccn1 1109103590 KPHLHZKMZKVWPB-SNVBAGLBSA-N 300.326 -0.419 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H]1CC(=O)N(C)C1 1109361441 WMFUUCDQLRFFQA-KBXIAJHMSA-N 319.405 -0.164 30 20 DBED CN(CCCN=c1cc[nH]c(C#N)n1)C(=O)c1cc[n+]([O-])cc1 1109370088 WRFFGPRMDBGROM-UHFFFAOYSA-N 312.333 -0.022 30 20 DBED N#Cc1nccnc1NC1(CNC(=O)[C@H]2COC(=O)N2)CC1 1110121856 PQFXKIJLZBAIHP-SECBINFHSA-N 302.294 -0.483 30 20 DBED Cn1cnc(C(=O)N(CCO)CCNc2cnc(C#N)cn2)c1 1111455998 NCTZAQAITSSNKN-UHFFFAOYSA-N 315.337 -0.372 30 20 DBED Cc1c[nH]nc1C(=O)N(CCO)CCNc1cnc(C#N)cn1 1111463632 DMJMSEIIBMKXRO-UHFFFAOYSA-N 315.337 -0.074 30 20 DBED C[C@@H](N=c1cc[nH]cc1C#N)[C@@H](C)NC(=O)C1CS(=O)(=O)C1 1113183886 TVEGYWGAQJBGGC-NXEZZACHSA-N 322.390 -0.275 30 20 DBED CC#CCN1CCN(C(=O)CNC(=O)c2cccnc2)CC1 1113368715 QTSZHXJIDZUROQ-UHFFFAOYSA-N 300.362 -0.021 30 20 DBED C[C@@H](CNC(=O)[C@H]1COC(=O)N1)N(C)c1ccnc(C#N)n1 1113591483 XWVWTHVVOXWRJO-DTWKUNHWSA-N 304.310 -0.602 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CCNC1=O)N(C)c1cnc(C#N)cn1 1113802282 KWODOXTWZIHPOY-GXSJLCMTSA-N 302.338 -0.575 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)C[C@@H]3COC(=O)C3)[C@H]2C1 1114138708 GQIXCKYCNNDEFU-BCUIYNNISA-N 306.362 -0.364 30 20 DBED Cc1cc(C(=O)N[C@H]2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]32)co1 1114173604 DKLIDEPBLMSJNX-IMRBUKKESA-N 302.334 -0.112 30 20 DBED C=CCOCCN1C[C@H]2[C@H](NC(=O)CCNC(=O)NC)[C@H]2C1 1114226651 QTVQBBGRLRZPPB-IMRBUKKESA-N 310.398 -0.446 30 20 DBED CC#CCN1C[C@H]2[C@H](NC(=O)CN(C)CC(=O)NC(C)C)[C@H]2C1 1114520883 CTHZGWQVGSTPLW-HALDLXJZSA-N 320.437 -0.488 30 20 DBED C=CCOCCN1C[C@H]2C(NC(=O)c3cn(C)c(=O)cn3)[C@@H]2C1 1114590248 OAOCJYGKFPZBAX-VXGBXAGGSA-N 318.377 -0.357 30 20 DBED N#CCNC(=O)CN1C[C@@H]2C(NC(=O)C3(CCF)CC3)[C@H]2C1 1114613378 JONWPGAEKFDOCF-QWRGUYRKSA-N 308.357 -0.188 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)[C@]3(C)CCC(=O)NC3)[C@@H]2C1 1114721305 MUMHWAQJGVTXEF-PBFPGSCMSA-N 319.405 -0.401 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)Cc3cnoc3)[C@H]2C1 1114727888 ZNUGBUMWXWPVGR-DRZSPHRISA-N 318.377 -0.046 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)c3ccn(C)c3C)[C@@H]2C1 1114795834 AKQIVHNMCPUOBQ-ZIAGYGMSSA-N 314.389 -0.257 30 20 DBED C=CCCCN1C[C@H]2[C@H](NC(=O)CN3CC(=O)NC3=O)[C@H]2C1 1114986450 FIGITRZFPXGKKY-YABSGUDNSA-N 306.366 -0.449 30 20 DBED C#Cc1ccc(C(=O)NC2[C@@H]3CN(C[C@@H](O)COC)C[C@@H]23)cn1 1115140321 VOKJBFKWKYNBNQ-RBSFLKMASA-N 315.373 -0.270 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@H]1[C@@H]2CN(Cc3cnnn3C)C[C@@H]21 1115332603 PGIZJIXPTMXFAL-SCUASFONSA-N 305.382 -0.047 30 20 DBED C[C@@H](C(=O)N(C)C)S(=O)(=O)NC1CCN(CC#N)CC1 1116825076 JWYFZVGGVIZGBG-JTQLQIEISA-N 302.400 -0.630 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N1CC(OCCOCC)C1 1117582894 WBLPXYBTMCFYAY-NSHDSACASA-N 300.355 -0.433 30 20 DBED Cc1cc(C(=O)NC[C@H](CO)N=c2cc[nH]cc2C#N)n[nH]1 1121119222 AMHNWQFCPVYNCA-LLVKDONJSA-N 300.322 -0.391 30 20 DBED CCn1cnc2c(N[C@@H](CO)CNC(=O)[C@@H](C)C#N)ncnc21 1121212610 IEILHJITIARYHL-VHSXEESVSA-N 317.353 -0.105 30 20 DBED N#Cc1sc(N[C@@H](CO)CNC(=O)CC(N)=O)nc1Cl 1121256694 DQHSFGKWHXVPKI-RXMQYKEDSA-N 317.758 -0.567 30 20 DBED C#CCN1CCN(c2nnc([C@H]3CC(=O)N(CC)C3)n2C)CC1 1121370892 LPSIHLNMIKLSRG-ZDUSSCGKSA-N 316.409 -0.094 30 20 DBED CNC(=O)CC(=O)NC[C@@H](CO)Nc1ncc(C#N)cc1F 1121372024 SMIGIFSUERHCAO-VIFPVBQESA-N 309.301 -0.883 30 20 DBED N#Cc1nc(=N[C@H](CO)CNC(=O)C[C@H]2CCOC2)cc[nH]1 1121399586 PODPIXURCNSDEE-MNOVXSKESA-N 305.338 -0.914 30 20 DBED COC1CC(C(=O)NC[C@@H](CO)Nc2ccc(C#N)nn2)C1 1122176937 GHWUOUYWVMKIOR-ZYXZCXLHSA-N 305.338 -0.338 30 20 DBED CN1CCCC[C@@H]1C(=O)NC[C@@H](CO)N=c1cc[nH]cc1C#N 1122860093 BQOICSANSVWOAY-DZGCQCFKSA-N 317.393 -0.252 30 20 DBED CO[C@@H](C(=O)N(C)C[C@H](O)CN=c1cc[nH]c(C#N)n1)C1CC1 1124289779 JKYOJTUSBUKVSS-BXUZGUMPSA-N 319.365 -0.574 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)[C@@]1(C)CCOC1 1124482112 CZVSWZYZFAXOAA-ABAIWWIYSA-N 319.365 -0.572 30 20 DBED CN(C[C@@H](O)CN(C)c1nccnc1C#N)C(=O)c1cnco1 1125230048 IWDINWYRQARFJP-JTQLQIEISA-N 316.321 -0.094 30 20 DBED CC(=O)NCC(=O)N(C)CCOCCN=c1cc[nH]cc1C#N 1127151124 MFTSKKCLARCCBT-UHFFFAOYSA-N 319.365 -0.602 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)Cn1cccc(C)c1=O 1127190576 XREACWZMADLENH-CYBMUJFWSA-N 318.377 -1.000 30 20 DBED C#CCNC(=O)CNCCNC(=O)CCc1cc(OC)no1 1128367728 OXEULPTUDAMZFY-UHFFFAOYSA-N 308.338 -0.929 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1cn(C(C)(C)C)nn1 1128959366 AOHKYZGVXLDXDC-LLVKDONJSA-N 320.397 -0.510 30 20 DBED C#CCN1CCOC[C@H]1c1n[nH]c(CNC(=O)C#CC2CC2)n1 1130850239 YONICGPLKBQQAH-ZDUSSCGKSA-N 313.361 -0.159 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)c2cn(C)ccc2=O)C1=O 1131162320 ZKWDVLDDFDWHLY-ZDUSSCGKSA-N 318.377 -0.508 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)[C@H](C)NC(C)=O)CC1 1131325591 LZKFCEDVMDWWRY-LBPRGKRZSA-N 310.398 -0.653 30 20 DBED CC(C)C#CC(=O)N1CCC[C@@H](N2CCN(CCO)CC2=O)C1 1131712766 XPVMULDAERYFRP-OAHLLOKOSA-N 321.421 -0.227 30 20 DBED C=CCOCCN1C[C@@H](NC(=O)c2nnn(C)n2)CC[C@H]1C 1132224034 JRNORHLIRGOMHV-NEPJUHHUSA-N 308.386 -0.005 30 20 DBED C[C@H]1CC[C@@H](NC(=O)c2nc[nH]n2)CN1CC(=O)NCC#N 1132368188 KPNCZMUXGQIMFW-VHSXEESVSA-N 305.342 -0.973 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)CC[C@@H]1C 1133173405 DVXVCLSGISPQEK-QWHCGFSZSA-N 320.393 -0.364 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)c1ccnn1C 1133872519 WBOFSGZKKLNFAX-NWDGAFQWSA-N 305.382 -0.344 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)COCCOC 1133926222 FKDCWZOKELXPKF-CHWSQXEVSA-N 313.398 -0.728 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)CCCn1c(O)nnc1O)NCC#N 1134782488 GHRYDDAJVHVVPN-VHSXEESVSA-N 310.358 -0.134 30 20 DBED CCN(C)C(=O)CN1CCCO[C@H](CNC(=O)[C@@H](C)C#N)C1 1149397782 HCICYHXAPFXXPX-QWHCGFSZSA-N 310.398 -0.169 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H]1CN(Cc2cnon2)CCCO1 1149707717 LCVLTBPRIXRJMJ-JSGCOSHPSA-N 322.365 -0.185 30 20 DBED C[C@@H](C#N)C(=O)NCCCN[C@@H]1CCN(c2ccn(C)n2)C1=O 1155847560 ABEWDTPOGHXOII-NWDGAFQWSA-N 318.381 -0.219 30 20 DBED C#CCNC(=O)CC(=O)NCCCNCc1nn(CC)nc1C 1156848138 SQUFHTAWGDUVMO-UHFFFAOYSA-N 320.397 -0.658 30 20 DBED N#CCNC(=O)CNCCCNC(=O)[C@@H]1CCCc2c[nH]nc21 1158092892 JQBRMWDOKFCXPH-GFCCVEGCSA-N 318.381 -0.435 30 20 DBED C#CCN1CCC(CNC(=O)[C@@H]2COCCO2)(COC)CC1 1162131184 AJKBMCSZQPZJSX-AWEZNQCLSA-N 310.394 -0.120 30 20 DBED C#CCNC(=O)CC(=O)NCC1(COC)CCN(CC#C)CC1 1162218729 GSVHERYOQRIYDZ-UHFFFAOYSA-N 319.405 -0.396 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)[C@@]2(C)CCNC2=O)C1=O 1166561254 XFHPYSMQEOMXQU-MLGOLLRUSA-N 322.409 -0.605 30 20 DBED C=CCNCCCC[C@@H](C)NC(=O)CNS(=O)(=O)NC 1171928956 AXVDNCCQQAZICW-LLVKDONJSA-N 306.432 -0.509 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1c(C)nn(C)c1F 1174859460 PDOURTFBYGQDKI-UHFFFAOYSA-N 309.345 -0.673 30 20 DBED C=CCOCCNCCCNC(=O)Cc1nc2ncccn2n1 1176063286 AVXCBDRAYHXKQQ-UHFFFAOYSA-N 318.381 -0.035 30 20 DBED C[C@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)c1csnn1 1179244655 CHHWBPGFBPXZOQ-IUCAKERBSA-N 308.367 -0.630 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)c2ccnnc2C)C1 1183977152 FHJOZZDPKKTEJU-GFCCVEGCSA-N 303.366 -0.109 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H]2CCN(C(=O)c3cocn3)[C@@H]2C1 1187253883 AYFDNFYPOLEXTE-SGMGOOAPSA-N 316.361 -0.041 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](N(C)CC(=O)NCC=C)C1 1190121845 TZTJBLWHTQARAS-CQSZACIVSA-N 307.394 -0.139 30 20 DBED C#CCCN(C)[C@H]1CCN(C(=O)[C@@H](C)NS(=O)(=O)CC)C1 1190289592 HEYNNPGSBATMJR-OLZOCXBDSA-N 315.439 -0.130 30 20 DBED N#CCSCC(=O)N[C@@H]1CN(Cc2cnsn2)C[C@H]1O 1191162358 RXSJIYMWJQHLPW-NXEZZACHSA-N 313.408 -0.544 30 20 DBED C=CCN(C)[C@@H]1CCN(C(=O)[C@@H](CCC(N)=O)NC(C)=O)C1 1192887563 FHAIDQRDLPXPIV-CHWSQXEVSA-N 310.398 -0.525 30 20 DBED CN(CC#N)[C@@H]1CCN(C(=O)CNC(=O)C2CCOCC2)C1 1192917087 JDMKSXIFHRPQBL-CYBMUJFWSA-N 308.382 -0.415 30 20 DBED C#CCN(C)[C@@H]1CCN(C(=O)CNC(=O)C2CCOCC2)C1 1192918180 YFUSZVSWBAPKPO-CQSZACIVSA-N 307.394 -0.305 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 1193911812 PTQNBRATAJBQRV-QHSBEEBCSA-N 320.393 -0.123 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)Cc2cc[nH]n2)CC1 1195394381 NPPGVIBOIKYBPR-UHFFFAOYSA-N 305.382 -0.211 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2ncccc2F)C1 1197138447 CCZXJGIFNNOURH-VXGBXAGGSA-N 322.340 -0.702 30 20 DBED C#CCN[C@@H](CNC(=O)[C@H]1CNC(=O)N1)c1ccccc1OC 1198875836 KECHSPGXFPMILC-QWHCGFSZSA-N 316.361 -0.243 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)[C@H](CCCC)NC(N)=O)C1 1199345305 MILFGWQXSHXNPK-YNEHKIRRSA-N 312.414 -0.049 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCCO[C@H](CNCCCO)C1 1200379765 QKYIIBDLYUCXNQ-HIFRSBDPSA-N 300.399 -0.097 30 20 DBED C=CCNC[C@@H]1CN(C(=O)CN(C)S(C)(=O)=O)CCCO1 1200647894 CYTRJPBVGZDSLY-GFCCVEGCSA-N 319.427 -0.729 30 20 DBED C#CCNC(=O)CN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)c1cn[nH]c1)C2 1204004237 XXKKGEVUHLJXDL-MRVWCRGKSA-N 315.377 -0.258 30 20 DBED C#CCNC(=O)[C@@H](C)NCC1CCN(C(=O)[C@H](C)OC)CC1 1204649351 AQSPCZMHRVBKMV-OLZOCXBDSA-N 309.410 -0.013 30 20 DBED N#CCNC(=O)CNCC1CCN(C(=O)[C@@H]2CCCOC2)CC1 1204742651 SSNWDDJHUGJAAK-CQSZACIVSA-N 322.409 -0.119 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)[C@H]1CC1(F)F 1206932622 LKGSQMVXCCXEEU-OPRDCNLKSA-N 300.309 -0.282 30 20 DBED C#CCOCCC(=O)N1CCC[C@@H](NCc2cnn(C)n2)C1 1208025040 FSCODEGSXQMJGM-CYBMUJFWSA-N 305.382 -0.064 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)CC(=O)N(C)C)[C@H](C)C1 1209284092 WPIXHIFRBHSCHL-JHJVBQTASA-N 322.409 -0.961 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCCN(C(=O)Cc2cnc[nH]2)C1 1209837275 PAMZVRFELPOUOV-OLZOCXBDSA-N 317.393 -0.329 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2nnn(C)n2)C[C@H]1C 1211425244 JDMODTOOBDOJQU-IJLUTSLNSA-N 308.386 -0.262 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)CSC)[C@H](OC)C1 1211828248 WUNQAJABVNBRGO-QJPTWQEYSA-N 315.439 -0.145 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)[C@H](O)C(C)C)[C@H](OC)C1 1212214431 IYCGNKMDXQDSSB-YRGRVCCFSA-N 313.398 -0.879 30 20 DBED C=CCN1C[C@@H](NC(=O)CCCS(C)(=O)=O)[C@H](OC)C1 1213561937 WBRMFXSWFVEXCS-VXGBXAGGSA-N 304.412 -0.187 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CCCCN2C)C[C@H]1C 1214968968 GGPTZLAFQWTVKA-KFWWJZLASA-N 320.437 -0.343 30 20 DBED C=CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CCS(=O)(=O)NC 1217875205 GMOQTBUQSHWRPZ-NWDGAFQWSA-N 317.411 -0.977 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)COCCOC)C1 1219385613 RAESMYDVDPQGEP-OLZOCXBDSA-N 302.371 -0.987 30 20 DBED Cc1sccc1C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@@H]1O 1219574499 CHKGKUBAMOEYAU-NEPJUHHUSA-N 322.390 -0.529 30 20 DBED N#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C[C@@H]2C=CCCC2)C1 1219862780 SHEUJVPHPRJVIY-MCIONIFRSA-N 320.393 -0.466 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)Cn2cncc2C)C1 1220010668 BTSBJALXJCEZEM-KGLIPLIRSA-N 306.366 -0.997 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)CCC(=O)N(CC)CC)C1 1221045109 YFCCZNDLEVZQMN-KGLIPLIRSA-N 309.410 -0.180 30 20 DBED C#CCCCC(=O)N1C[C@H]2CCN([C@H](C)C(=O)NC(N)=O)C[C@H]21 1221512670 JZUHZPJYSAUWGS-JHJVBQTASA-N 320.393 -0.094 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC(CNC(=O)[C@@H]2CCOC2)CC1 1222550634 GMJBBAYNIMANNU-UKRRQHHQSA-N 321.421 -0.011 30 20 DBED C=CCOCC(=O)N(C)C[C@@H]1CCN1CCN1C(=O)CNC1=O 1231241699 XHXOBNZPZQOHCX-LBPRGKRZSA-N 324.381 -0.727 30 20 DBED C#CCOCCNC(=O)C(=O)N1C[C@H](C)O[C@@]2(CCCOC2)C1 1260310314 WNZWJXKRSLPWIC-BBRMVZONSA-N 324.377 -0.451 30 20 DBED CN(CCCN1CCCC1)C(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1261484990 OSZZOPDFERGNIG-INIZCTEOSA-N 322.409 -0.192 30 20 DBED C#CC1CCN(C(=O)C(=O)N(C)CCNC(=O)N(C)C)CC1 1261486198 SVIGKEACEHATCB-UHFFFAOYSA-N 308.382 -0.412 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@@]2(C)CC(C)=NO2)CC1 1262607942 SAZHTKUEBYPWPE-MRXNPFEDSA-N 320.393 -0.175 30 20 DBED N#CC1(NC(=O)CN[C@@H](CC(N)=O)C2CCOCC2)CCC1 1322620594 AVEKSWKKALCBEZ-LBPRGKRZSA-N 308.382 -0.191 30 20 DBED COC(=O)[C@@]1(C)CCN(C(=O)C(=O)N2CC[C@](F)(C#N)C2)C1 1325375871 QABYHRJCONHRFQ-KBPBESRZSA-N 311.313 -0.138 30 20 DBED C#C[C@H](NC(=O)C(=O)Nc1cccn(C)c1=O)[C@@H]1CCCO1 1325764122 YMDDMQGQEOCGPY-JQWIXIFHSA-N 303.318 -0.379 30 20 DBED C=CCCN(C)C(=O)C(=O)N1CCN(CC(=O)N(C)C)CC1 1325815153 CAOIFKFUGARITO-UHFFFAOYSA-N 310.398 -0.747 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)NCCCn2cccn2)C1 1326098322 DBCLVNYWEOQMQX-AWEZNQCLSA-N 305.338 -0.734 30 20 DBED C[C@H](CS(C)(=O)=O)NC(=O)C(=O)NCc1cccc(C#N)c1 1328856540 ZKSYUYHGNOMLQN-SNVBAGLBSA-N 323.374 -0.276 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2CCOC2)C1=O 1329911939 LIFFJRRWKXHJNK-RYUDHWBXSA-N 309.366 -0.616 30 20 DBED N#Cc1ccc(CN2C(=O)N[C@H](CCS(N)(=O)=O)C2=O)cc1 1330503460 OGNRHUVDKMHYRD-LLVKDONJSA-N 322.346 -0.343 30 20 DBED CN(Cc1cnn(C)c1)C(=O)C(=O)N1CC[C@](O)(CC#N)C1 1332355227 DEUPOFFWXARXDJ-CQSZACIVSA-N 305.338 -0.744 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)N2CC[C@@H](CCN)C2)CCN1C1CC1 1334386429 HVXZQBKBCINWMD-OCCSQVGLSA-N 319.409 -0.618 30 20 DBED C=CCNC(=O)CNC(=O)C(=O)Nc1cc(C)nn1CCC#N 1337322803 VYAIQPJFZSVTRT-UHFFFAOYSA-N 318.337 -0.538 30 20 DBED C#C[C@H](NC(=O)N1CCN(C(=O)C(=O)O)CC1)[C@H]1CCCO1 1339714750 DENWTSXATPEKFT-WDEREUQCSA-N 309.322 -0.894 30 20 DBED C=CCn1c([C@H]2CCCN2C)nnc1N1CCO[C@H](C(N)=O)C1 1339774346 LGSVJNYNFMORPJ-NEPJUHHUSA-N 320.397 -0.079 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CCOCC[C@H]2C)nn1 1354527778 LMYSWBZCYNINDJ-LLVKDONJSA-N 307.354 -0.282 30 20 DBED CC(C)(C)OC(=O)Cn1cc(C(=O)N2CCOC[C@H]2C#N)nn1 1361432621 QWPVGKZUTBGLDF-SNVBAGLBSA-N 321.337 -0.016 30 20 DBED COC[C@@H](OC)C(=O)N1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 1372528560 STGWMWIFVFMMDU-WCQYABFASA-N 320.349 -0.122 30 20 DBED CCN(CCNC(=O)Cn1cnnn1)C(=O)c1cc(C#N)c[nH]1 1373749325 BHGXQOCYDGEDPW-UHFFFAOYSA-N 316.325 -0.849 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1C[C@@H](NC(=O)CN2CCOCC2=O)C1 1384545394 GVRGIMOPKPEBKD-UTUOFQBUSA-N 322.365 -0.984 30 20 DBED C[C@@H](C#N)C(=O)NCCN1CCN(CCc2cnn(C)c2)CC1 1389408742 KNUNHTJMUUNECP-AWEZNQCLSA-N 318.425 -0.144 30 20 DBED C[C@H](C#N)C(=O)N(C)CCN(C)C(=O)c1cccc(C(N)=O)n1 1391851988 GRQIZOWFSSNQNZ-SNVBAGLBSA-N 317.349 -0.129 30 20 DBED C[C@H](C#N)C(=O)NCC(C)(C)CN(C)C(=O)[C@H]1COC(=O)N1 1395012895 IJNIVTPDVBDBTE-NXEZZACHSA-N 310.354 -0.145 30 20 DBED C[C@@H](C#N)C(=O)N(C)CC(C)(C)CNC(=O)Cn1cnnn1 1404260179 NYIOHPDYYVNBDP-JTQLQIEISA-N 307.358 -0.566 30 20 DBED CCN1CCC(N(C)C(=O)Cn2cc(C#N)c(O)nc2=O)CC1 1411743333 OQERWQCPWBMCFY-UHFFFAOYSA-N 319.365 -0.237 30 20 DBED CN(C(=O)CCn1cc(C#N)c(O)nc1=O)c1ccn(C)n1 1412049807 WGJKYYGVCVXDLZ-UHFFFAOYSA-N 302.294 -0.393 30 20 DBED N#CCCN1CCN(C(=O)NCCn2cnc(C#N)n2)CC1 1434800133 QNYMZUXVIUIPFW-UHFFFAOYSA-N 302.342 -0.609 30 20 DBED Cc1ccnc2nc(C(=O)NC[C@@H](C)NC(=O)[C@H](C)C#N)nn12 1452678896 CZCXNNFMQUSTQA-RKDXNWHRSA-N 315.337 -0.173 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CCN(C(=O)CCn2cncn2)C1 1453610649 CFQAOISGOVXKBH-NEPJUHHUSA-N 304.354 -0.113 30 20 DBED COC(=O)c1c[nH]nc1S(=O)(=O)NCc1ccc(C#N)cn1 1475359903 KSNBSXDLTJBLRS-UHFFFAOYSA-N 321.318 -0.059 30 20 DBED C=C(Cl)CN1CC(O)(CNC(=O)CCS(C)(=O)=O)C1 1484280361 VIEXPOPVGGYYCC-UHFFFAOYSA-N 310.803 -0.664 30 20 DBED C[C@@H](C#N)C(=O)NC1CC(N(C)C(=O)CN2CCOCC2)C1 1511937198 ZKYBRWDPOMHUQQ-HIFPTAJRSA-N 308.382 -0.416 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@H](NC(=O)CNC(=O)O)[C@H]1C 1573311564 UGILKTBWRAWZOO-MXWKQRLJSA-N 311.338 -0.602 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H](O)CNCc1cnn[nH]1 1575053585 JWKQJFATIOWUME-AGIUHOORSA-N 309.370 -0.647 30 20 DBED N#Cc1nc(N2CC[C@H](C3OCCO3)C2)cnc1-c1nn[nH]n1 1581878219 BOANUVBMQLPSIE-QMMMGPOBSA-N 314.309 -0.272 30 20 DBED C=CCCNC[C@H](O)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 1588609202 LHCHRITWELXLJJ-JTQLQIEISA-N 305.342 -0.549 30 20 DBED CCCCNC(=O)NC(=O)Cn1cnc(C#N)c1-c1nn[nH]n1 1590604259 DIMVETYUNJUVOK-UHFFFAOYSA-N 317.313 -0.439 30 20 DBED N#Cc1ccccc1OC[C@H](O)CN1C[C@H](O)C[C@H]1C(=O)O 1601126989 ZBZZQPZOZYYSSV-UPJWGTAASA-N 306.318 -0.182 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCN(C)C[C@@H](C(=O)O)C1 1603130729 ZRVDOPKWCXFPPP-WDEREUQCSA-N 318.399 -0.729 30 20 DBED CN(CCN=c1cc[nH]c(C(=O)O)n1)C(=O)c1cc(C#N)c[nH]1 1606133049 LVEOKKANRAAWMV-UHFFFAOYSA-N 314.305 -0.019 30 20 DBED N#Cc1c[nH]c(=O)n(CCn2cnc3ccccc3c2=O)c1=O 1652052950 FHDPWHMFXFGMBQ-UHFFFAOYSA-N 309.285 -0.182 30 20 DBED N#CCN1CCN(CCNC(=O)c2ccc3nc[nH]c3n2)CC1 1752367815 VBZBVOIDKRUQDD-UHFFFAOYSA-N 313.365 -0.171 30 20 DBED COCC#CCN[C@H]1C[C@@H](NC(=O)c2cc(=O)c(OC)c[nH]2)C1 1752742955 BMTZRNZSGASEQM-TXEJJXNPSA-N 319.361 -0.116 30 20 DBED C#Cc1cncc(C(=O)N2CCC[C@@H](CNCC(N)=O)C2)c1 1752807089 YYNYZUYEWLRYFC-ZDUSSCGKSA-N 300.362 -0.010 30 20 DBED C=CCC(C)(C)C(=O)NC[C@@H](O)CN[C@H](C)c1nnnn1C 1753928436 FPJRQBKYWUECAD-MNOVXSKESA-N 310.402 -0.060 30 20 DBED C#CCNC(=O)CNCCN(CC)C(=O)c1cc(CC)[nH]n1 1754034230 FDVIABJEPCZPQM-UHFFFAOYSA-N 305.382 -0.227 30 20 DBED C#CCNC(=O)CNC[C@@H](C)NC(=O)c1cc2cccn2cn1 1754230803 JMXWMZNOHIGIAT-GFCCVEGCSA-N 313.361 -0.208 30 20 DBED CCC[C@H](C(=O)N1CCC[C@H]1CNCC#N)S(N)(=O)=O 1754614529 CDXXSPBVFQXSMP-WDEREUQCSA-N 302.400 -0.452 30 20 DBED CCC(=O)NCC(=O)N[C@@H]1COC2(C1)CN(CC#CCOC)C2 1755057858 AWHJWHUGBZZWPW-ZDUSSCGKSA-N 323.393 -0.878 30 20 DBED COCCOCCN1CC2(C[C@@H](NC(=O)[C@@H](C)C#N)CO2)C1 1755060293 ZHDLNEOVHCZCCV-QWHCGFSZSA-N 311.382 -0.231 30 20 DBED O=C(C#CC1CC1)N[C@H]1COC2(C1)CN(Cc1cnon1)C2 1755061017 DKPPINPATJFTIV-GFCCVEGCSA-N 302.334 -0.058 30 20 DBED CC#CCNCC1(O)CCN(C(=O)CCc2cn(C)nn2)CC1 1755155452 AKZNFRYUNYRHKL-UHFFFAOYSA-N 319.409 -0.286 30 20 DBED C=CCOCCNCC1CC(NC(=O)[C@H]2CN(C)C(=O)N2)C1 1755215609 VKACVCKSTRRXPI-WXRRBKDZSA-N 310.398 -0.303 30 20 DBED C#CCCN1CCO[C@@]2(CCN(C(=O)[C@H](C)CC(N)=O)C2)C1 1755402582 WPJCILKSZRQGGO-CJNGLKHVSA-N 307.394 -0.176 30 20 DBED C#CCNC(=O)CN1C[C@H](NC(=O)c2ccncn2)C(C)(C)C1 1755410869 AKPKYHTUQQTFAC-ZDUSSCGKSA-N 315.377 -0.334 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@@H](O)CN(C)C(=O)C1(C)CC=CC1 1755787066 PJCDZHBEFTZFAU-ZIAGYGMSSA-N 321.421 -0.111 30 20 DBED C=CCOCC(=O)NC[C@H](C)N(C)C(=O)[C@H]1CCNC(=O)C1 1756010902 KFTXVUDYLIBOGZ-RYUDHWBXSA-N 311.382 -0.322 30 20 DBED Cc1cc(C(=O)N[C@@H](CO)CNC(=O)CSCC#N)ncn1 1756503649 LVDFGGJUNSXHNE-SNVBAGLBSA-N 323.378 -0.751 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H](CO)CNC(=O)c1ccnn1C 1756508094 OUEHXRUMGOHAHI-GHMZBOCLSA-N 310.354 -0.782 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@H](CO)NC(=O)c1ccn(C)c1C 1756515218 HYCUALDXLPDDIZ-BLLLJJGKSA-N 323.393 -0.132 30 20 DBED CN(C)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC#N)[C@H]2C1 1786365853 XWIKTRIZTUPOQQ-IHRRRGAJSA-N 322.409 -0.169 30 20 DBED Cn1cncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC#N)C2 1794830605 UJWWLRPBYIZLOT-GNXNZQSNSA-N 317.349 -0.463 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)ncn1)C2 1800450409 GSTSNVCNAPVPTH-WDAIWFPHSA-N 316.317 -0.981 30 20 DBED CCN(CCC#N)C(=O)Cn1c(=O)c(C#N)cn(CC)c1=O 77233290 FREDYSVAKRQPAB-UHFFFAOYSA-N 303.322 -0.336 30 20 DBED C#CCCCNC(=O)N1CCN(C(=O)C(=O)NC(C)C)CC1 174099746 CLXMGRASXYDJJS-UHFFFAOYSA-N 308.382 -0.222 30 20 DBED N#CCSCC(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 265249654 ASBUVTGMEMQNSH-UHFFFAOYSA-N 323.378 -0.063 30 20 DBED CN1C[C@@H](NC(=O)C(=O)Nc2ccc(C#N)cc2F)CC1=O 269374257 ZISSTJMBDZKSHZ-VIFPVBQESA-N 304.281 -0.017 30 20 DBED CC(C)N1C(=O)C[C@H](NS(=O)(=O)c2cccnc2C#N)C1=O 277257898 WKVJTPIVRANZSF-VIFPVBQESA-N 322.346 -0.233 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCCCOCC)C1=O 283205112 FTTQSFHWQVSQMB-GFCCVEGCSA-N 311.382 -0.226 30 20 DBED C#CCSCCNC(=O)CNS(=O)(=O)c1cccnc1 290169699 XUKUHQIDXVHZPX-UHFFFAOYSA-N 313.404 -0.158 30 20 DBED N#Cc1ccc(S(=O)(=O)NCC2(CO)COC2)cc1F 292556822 KMRISXWBRXFCEW-UHFFFAOYSA-N 300.311 -0.015 30 20 DBED C[C@@H]1CN(/C(O)=N/[C@H]2CCCS(=O)(=O)C2)CC(=O)N1C 328725780 UHHYKNJMABVAIW-ZJUUUORDSA-N 303.384 -0.360 30 20 DBED O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1C/C(O)=N/CCn1ncnn1 328754517 OETNXLOYVOEHOV-FSZOTQKASA-N 316.321 -0.563 30 20 DBED O=C1CN(/C(O)=N/[C@@H]2CC(=O)N(C3CC3)C2)CCN1C1CC1 328831333 RHJCYXJTROUJDT-SNVBAGLBSA-N 306.366 -0.030 30 20 DBED CC[C@@H](O)CN1CCN(S(=O)(=O)N(C)C[C@H](C)C#N)CC1 330370336 FCZWHJWTBNEROG-CHWSQXEVSA-N 318.443 -0.289 30 20 DBED CC(C)NC(=O)CN/C(O)=N/C[C@H]1CCCN1S(C)(=O)=O 330411519 KJBHTDGRFVHVDY-SNVBAGLBSA-N 320.415 -0.561 30 20 DBED CCCC/N=C(/O)NC(=O)CN1CCS(=O)(=O)C[C@@H]1C 330859772 RIGZTCPBOZSYPT-JTQLQIEISA-N 305.400 -0.064 30 20 DBED C[C@H]1CN(/C(O)=N/CCn2cncn2)CCN1CC(C)(C)O 331229077 OUZKBROIBGSFDS-LBPRGKRZSA-N 310.402 -0.031 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N2C[C@@H]3CC[C@@H](O)[C@H]3C2)CCO1 336934342 DSFFHJNVUHBRSV-WHOHXGKFSA-N 301.368 -0.842 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)NC[C@H]1CCCS1(=O)=O 336940852 JKWAWRVPBXAUCK-NXEZZACHSA-N 309.413 -0.511 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N1C[C@@H](C(N)=O)O[C@H](C)C1 337888378 FPUTUHWSMHXLMY-AEJSXWLSSA-N 304.372 -0.960 30 20 DBED N#CC1(NC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)CCC1 340636537 UFYVKMIRZKJTND-CNVPUSNMSA-N 303.318 -0.289 30 20 DBED N#CCNC(=O)CNC(=O)c1cccc(CN2CCOCC2)c1 343562691 YWHYRXFZLWFARN-UHFFFAOYSA-N 316.361 -0.112 30 20 DBED Cc1nn2c(SCC(=O)NC3(C#N)CCC3)n[nH]c2nc1=O 343838763 YRPYAVLRMSOQQG-UHFFFAOYSA-N 319.350 -0.224 30 20 DBED C=C[C@@H](CO)NS(=O)(=O)c1cccc(S(N)(=O)=O)c1 349779896 ARWFOCCKOBWZPV-QMMMGPOBSA-N 306.365 -0.841 30 20 DBED O=C(NCC#CCO)c1cccc(N2CCCS2(=O)=O)c1 352187954 VYIPKSUTKPIOBT-UHFFFAOYSA-N 308.359 -0.048 30 20 DBED C=CCN(CC=C)C(=O)[C@H](C)N1CCN2C(=O)NC(=O)[C@H]2C1 352780079 ROMZSIROAIMCQQ-NWDGAFQWSA-N 306.366 -0.189 30 20 DBED COC(=O)CCN1CC[C@H](NC(=O)c2cc(C#N)ccn2)C1=O 355437386 XVNZSEFUUJXTRO-NSHDSACASA-N 316.317 -0.153 30 20 DBED C=C[C@@H](C)NC(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1 362611967 GBZFHDLOKGBZRC-SSDOTTSWSA-N 301.324 -0.653 30 20 DBED C#C[C@@H](NC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)C(C)C 366849753 JCNVNFOXYWUCOM-LSDHHAIUSA-N 321.421 -0.059 30 20 DBED CCS(=O)(=O)N1CCN(S(=O)(=O)[C@@H](C)C#N)[C@H](C)C1 416487534 LQOLSFRRWXALKO-ZJUUUORDSA-N 309.413 -0.416 30 20 DBED C=CCN1CC[C@H](N2CCC[C@@H]2C(=O)NCC(=O)OC)C1=O 419355014 LREAUXCVWUCMHI-NEPJUHHUSA-N 309.366 -0.473 30 20 DBED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CNC(=O)C2)c1 490949484 KSHZIMLRTAYJCD-LLVKDONJSA-N 321.358 -0.784 30 20 DBED C#C[C@@H]1COCCN1C(=O)C(=O)N1CCC[C@H](CCC(=O)O)C1 491639754 YQMXITQMGNVQMC-CHWSQXEVSA-N 322.361 -0.050 30 20 DBED C#CCN1CCN(C(=O)Cn2cc3c(c(C#N)c2=O)CCC3)CC1 491800985 BLYWUBGJAZZMTH-UHFFFAOYSA-N 324.384 -0.014 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCC2CCOCC2)C1=O 523028170 LUEXFHOHHBMIFA-UHFFFAOYSA-N 309.322 -0.494 30 20 DBED CC(C)c1n[nH]c(CNc2c(C#N)c(=O)n(C)c(=O)n2C)n1 563422805 CDBYZEZKWZSOOY-UHFFFAOYSA-N 303.326 -0.191 30 20 DBED CCn1cc(C#N)c(=O)n(Cc2nc(C3CC3)nn2C)c1=O 570211875 JVSKBFSLLNAXAV-UHFFFAOYSA-N 300.322 -0.044 30 20 DBED C=C[C@@H]1OCC[C@H]1NC(=O)N[C@H]1CCN(S(C)(=O)=O)C1 584473572 HFTLWAPYXZTOCU-AXFHLTTASA-N 303.384 -0.337 30 20 DBED C[C@H]1CC(=O)NCCN1C(=O)C(=O)Nc1cccc(C#N)n1 592286861 CILCOKVZGVAJOL-VIFPVBQESA-N 301.306 -0.371 30 20 DBED CO[C@@H]1CS(=O)(=O)C[C@H]1NS(=O)(=O)c1ccc(C#N)o1 594820954 FAFRKFMJMBEVFC-RKDXNWHRSA-N 320.348 -0.758 30 20 DBED COC(=O)[C@H]1CNCCCN1S(=O)(=O)c1ccc(C#N)o1 595112081 RSHVSVQLXUPIFY-SNVBAGLBSA-N 313.335 -0.323 30 20 DBED Cc1n[nH]cc1C(=O)NCC#CCNC(=O)c1c[nH]nc1C 681341294 WASBDCFUKOCENT-UHFFFAOYSA-N 300.322 -0.087 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)C(C)(C)NC(=O)O)CC1 736079066 GOMKDWKWUXLONQ-UHFFFAOYSA-N 324.381 -0.684 30 20 DBED N#Cc1ccnc(N2CCN(CCC(=O)NCC(=O)O)CC2)c1 739142177 HTUPTJVLHQDMIZ-UHFFFAOYSA-N 317.349 -0.334 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 757595323 SIPKNXHLIUFJKV-GHMZBOCLSA-N 310.354 -0.002 30 20 DBED CS(=O)(=O)N1CCC[C@H]1C(=O)NCc1ccc(C#N)cn1 782027175 IXTPTJYYWZSEOS-LBPRGKRZSA-N 308.363 -0.007 30 20 DBED C[C@H](OC(=O)CN1C(=O)CN(C)C1=O)C(=O)NC1(C#N)CCC1 787612402 OCAVMOCQBCIKFH-VIFPVBQESA-N 322.321 -0.625 30 20 DBED CC(=O)N1CCC[C@@H](C(=O)NS(=O)(=O)CC2(C#N)CC2)C1 793194944 BDKZERHDABSWNY-LLVKDONJSA-N 313.379 -0.005 30 20 DBED C#CCC[C@@H](O)CNC(=O)Cn1c(=O)nc(O)c2ccccc21 799199646 AFECHHBDOHEESM-LLVKDONJSA-N 315.329 -0.007 30 20 DBED N#Cc1c(N2CC[C@H](CO)[C@H](O)C2)cccc1S(N)(=O)=O 811837778 DJLCRDKVIMRVND-BXKDBHETSA-N 311.363 -0.615 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NOC/C=C\Cl)C1=O 812401453 KUFOAFSFFLSYIQ-ARJAWSKDSA-N 301.686 -0.237 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2conc2CC)CC1 825967616 JYGVUWDXVWDGRP-UHFFFAOYSA-N 304.350 -0.256 30 20 DBED COC[C@@](C)(C#N)NC(=O)[C@H](O)c1ccc(-c2nn[nH]n2)cc1 826147784 MBFXPKKFLVAKGM-BXUZGUMPSA-N 316.321 -0.055 30 20 DBED O=C(C#Cc1ccc2c(c1)OCO2)N1C[C@@H](CO)[C@@H](CO)C1 829179816 TXJADLXVAFBDMK-BETUJISGSA-N 303.314 -0.174 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)NCCc1cnc(C)cn1 829631405 LXAMZRKIPKZMNJ-UHFFFAOYSA-N 318.377 -0.058 30 20 DBED N#CCCN(CCC#N)C(=O)CN1CCC([C@H](O)C(=O)O)CC1 833760017 FAXKEUGRWWZJMU-AWEZNQCLSA-N 322.365 -0.200 30 20 DBED C#CC1(O)CN(C(=O)c2ccc(CNS(=O)(=O)CC)cc2)C1 890524041 ZEDIWBBORAJQCL-UHFFFAOYSA-N 322.386 -0.054 30 20 DBED C#CCN(C)CCCNC(=O)[C@]1(OC)CCS(=O)(=O)C1 908437511 PLCOUUCSWGHIRU-ZDUSSCGKSA-N 302.396 -0.739 30 20 DBED C#CCN1CCC[C@H](NC(=O)[C@@H]2CC(=O)N(CCOC)C2)C1 923588153 HYZANKSTENWHDX-KGLIPLIRSA-N 307.394 -0.305 30 20 DBED C#CCC[C@H](O)CNC(=O)Cn1cccc(C(=O)OC)c1=O 935807584 JMEIBKSVDYPGHL-NSHDSACASA-N 306.318 -0.475 30 20 DBED C=CCCn1cc(C(=O)N2CCCN(C(=O)C(N)=O)CC2)nn1 941183260 IHBOAICVMKNUQF-UHFFFAOYSA-N 320.353 -0.986 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H]1CNC(=O)[C@H]1CCCC(=O)N1 944251734 YSVHDWSTGQYUMY-IJLUTSLNSA-N 306.366 -0.078 30 20 DBED N#CCN1CCC2(CC1)CN(C(=O)C[C@H]1CCNC1=O)CCO2 949111699 DIQZNLMDLITIFV-CYBMUJFWSA-N 320.393 -0.270 30 20 DBED C[C@@]1(C(=O)N2CCOC3(CCN(CC#N)CC3)C2)CCC(=O)N1 949179814 OXBKBMCHHSGVLR-HNNXBMFYSA-N 320.393 -0.128 30 20 DBED CN(C(=O)[C@H]1COC(=O)N1)C1CN(C(=O)c2ccc(C#N)[nH]2)C1 954189251 LEUYPFLXPAMZSR-LLVKDONJSA-N 317.305 -0.722 30 20 DBED C=CCN1C[C@@H](O)[C@H](CNC(=O)c2ccn3nnnc3c2)C1 958321125 SMRFDNPVRUGHBI-VXGBXAGGSA-N 302.338 -0.667 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2ccc(NC(N)=O)cc2)C1 958646019 ZSPDIXWIPVMZQY-OCCSQVGLSA-N 316.361 -0.167 30 20 DBED CN(C(=O)c1cnsn1)[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 958659783 CIHBQWYIYVRHQT-RYUDHWBXSA-N 320.374 -0.405 30 20 DBED CCOc1cnc(C(=O)NC[C@@H]2CN(CC#N)C[C@H]2O)cn1 958763015 QDHMIZKWHKDXCX-ZYHUDNBSSA-N 305.338 -0.579 30 20 DBED C[C@H]1CN(C(=O)C(N)=O)C[C@H]1CNC(=O)c1ccc(C#N)[nH]1 959570507 BTQXGTRVVCZKED-DTWKUNHWSA-N 303.322 -0.804 30 20 DBED CN(C(=O)CN1CCOCC1=O)C1CCC(NCC#N)CC1 963433321 MJZJZJFRSLIOES-UHFFFAOYSA-N 308.382 -0.272 30 20 DBED C[C@H](C#N)C(=O)N1CC2(C[C@H](NC(=O)c3cccnn3)CO2)C1 965791463 MRCGAUPGDIJKLH-MNOVXSKESA-N 315.333 -0.264 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C2CN(C(=O)c3cnco3)C2)CC1 967246128 FULRAYNBTKHZJA-LLVKDONJSA-N 317.349 -0.197 30 20 DBED CC#CCN1CC[C@@H](C)[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)C1 968602055 OUTOESVUVPNAOG-OCCSQVGLSA-N 319.409 -0.260 30 20 DBED C[C@@H](NC(=O)[C@@H]1COCCN1CC(F)F)C1CN(CC#N)C1 970211783 BHJFFXKSGNVWPI-PWSUYJOCSA-N 316.352 -0.088 30 20 DBED C#CCN1C[C@H]2CC[C@H]1CN2C(=O)[C@@H](C)N1C(=O)CCC1=O 971448317 OLQDMXMTGYHFNK-FRRDWIJNSA-N 303.362 -0.168 30 20 DBED CC#CCN1CCO[C@@]2(CCN(C(=O)CS(C)(=O)=O)C2)C1 972285969 PGCGCNFIQWZCQC-AWEZNQCLSA-N 314.407 -0.642 30 20 DBED CN(CC#N)[C@@H]1CCN(C(=O)C2(n3cnnn3)CCOCC2)C1 972519622 CULVUDJEOSEDOF-GFCCVEGCSA-N 319.369 -0.765 30 20 DBED CC#CCN1CCO[C@@]2(CCN(C(=O)c3c[nH]c(=O)cn3)C2)C1 972524153 PMTHTNMNBLTBGO-INIZCTEOSA-N 316.361 -0.290 30 20 DBED CN(CC#N)[C@H]1CCN(C(=O)CN2C(=O)NC(=O)C2(C)C)C1 972670117 IDBVECQGBNXBNJ-JTQLQIEISA-N 307.354 -0.627 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)Cn3ncnn3)C[C@H]2C1 986594609 UJXFKTUYGJJFLL-TUAOUCFPSA-N 317.353 -0.860 30 20 DBED C=CCN[C@@H]1CCN(C(=O)Cn2ncn3nccc3c2=O)[C@H]1C 987113525 UZWBRYAJGUNQKR-NWDGAFQWSA-N 316.365 -0.344 30 20 DBED C#CCN[C@H]1C[C@H](C)N(C(=O)c2ccc(=O)n(CCOC)n2)C1 989147114 XTEDWLBXOYTFCD-STQMWFEESA-N 318.377 -0.285 30 20 DBED C#CCN[C@H]1C[C@@H](C)N(C(=O)CCn2cc[nH]c(=O)c2=O)C1 989561490 DZHJPKQGBCNMAV-NEPJUHHUSA-N 304.350 -0.861 30 20 DBED N#Cc1ccc(C(=O)NC2CN(C(=O)c3csnn3)C2)[nH]1 990898343 HIDZKBMNXOZDOQ-UHFFFAOYSA-N 302.319 -0.008 30 20 DBED C#CCN1CC[C@@]2(NC(=O)Cn3ncn(C)c3=O)CCC[C@@H]12 991467903 AJWUZCULBOFXKO-DOMZBBRYSA-N 303.366 -0.672 30 20 DBED C#CCN[C@@H]1CCC[C@H]2CN(C(=O)Cn3cnnc3O)C[C@H]21 992697088 PWGAYPVGYWUDSB-YNEHKIRRSA-N 303.366 -0.166 30 20 DBED CC#CCN1CCC[C@@H](NC(=O)CN2C(=O)CNC2=O)[C@@H]1C 994360334 DOHGNIHQEWHROR-NWDGAFQWSA-N 306.366 -0.469 30 20 DBED N#Cc1c[nH]c(C(=O)NCC2CN(C(=O)[C@H]3COC(=O)N3)C2)c1 1001341730 LNKYHOHOZJWWBJ-LLVKDONJSA-N 317.305 -0.817 30 20 DBED C[C@H](C#N)C(=O)N1CC([C@@H](C)NC(=O)C2CC(=O)NC(=O)C2)C1 1006419709 FXUZAOAOGZTJDN-RKDXNWHRSA-N 320.349 -0.838 30 20 DBED C=C(C)CCN1CCC[C@H](NC(=O)CN2CCNC(=O)C2)C1 1008181152 CHNSOTIUSHSCAF-AWEZNQCLSA-N 308.426 -0.035 30 20 DBED Cn1c(C(=O)NC2[C@H]3CN(C(=O)C#CC4CC4)C[C@H]23)cnc1O 1013545186 XMCFVBKCIGOPPS-QWRGUYRKSA-N 314.345 -0.274 30 20 DBED CC#CCN1CC[C@@H](NC(=O)[C@H]2CC(=O)N(CCOC)C2)C1 1014639218 XCQCRYYPOASBEO-UONOGXRCSA-N 307.394 -0.305 30 20 DBED C=CCN1CC[C@@H](NC(=O)Cn2nc3n(c2=O)CCCC3)C1 1015954649 VFDWKMGRIJVBHP-GFCCVEGCSA-N 305.382 -0.242 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)c3ncc[nH]3)C[C@H]2O)[nH]1 1023429211 ONHNQZRUDGXYNM-GHMZBOCLSA-N 314.305 -0.775 30 20 DBED N#Cc1cc(C(=O)NC2CN(C[C@@H]3CCS(=O)(=O)C3)C2)c[nH]1 1030234780 GPLLUEVATALDJT-JTQLQIEISA-N 322.390 -0.265 30 20 DBED C#CCCN1CC(CNC(=O)[C@@H]2CCc3nnn(C)c3C2)C1 1031925253 FALIOVPLXZKWKK-CYBMUJFWSA-N 301.394 -0.009 30 20 DBED CC#CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cn(CCOC)nn1 1032400098 STOXDALBBFQTPU-STQMWFEESA-N 303.366 -0.154 30 20 DBED C=CCN[C@@H]1CCN(C(=O)CCn2ncn(C)c2=O)C[C@@H]1C 1036115592 NRHVFNBSJQJVNG-QWHCGFSZSA-N 307.398 -0.016 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)Cn3ncn(C)c3=O)CC[C@H]21 1036753775 WBXDRPHVACBLLD-CHWSQXEVSA-N 303.366 -0.862 30 20 DBED N#CCN1CC[C@H]2CN(C(=O)Cn3c(O)nnc3O)CC[C@@H]21 1036879792 UREJCXFMYSCUKE-UWVGGRQHSA-N 306.326 -0.864 30 20 DBED C#CCN1CC[C@H]2CN(C(=O)c3nccnc3C(N)=O)CC[C@@H]21 1036889737 HEFJKITXYUZELF-RYUDHWBXSA-N 313.361 -0.255 30 20 DBED C=CCOc1cccnc1C(=O)N[C@H]1[C@H]2C[C@H]1N(CC(N)=O)C2 1037668257 KXWQBXJCQZAJDZ-WDMOLILDSA-N 316.361 -0.066 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@]1(O)CCN(C(C)=O)C1 1039715099 JDRBRQOLQSUVJF-DZGCQCFKSA-N 311.382 -0.443 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)c2ccncn2)C1 1040657408 ZOENOCFBVKWZMK-HZMBPMFUSA-N 303.322 -0.671 30 20 DBED COc1cc(C(=O)N2CC[C@](O)(CNC(=O)[C@H](C)C#N)C2)on1 1040764021 SXXTTYRCGIBEFU-OTYXRUKQSA-N 322.321 -0.464 30 20 DBED C[C@]1(C(=O)N[C@@H]2CN(c3ccc(C#N)nn3)C[C@H]2O)CCOC1 1041146767 DHJYVIBMQOZKTN-JMSVASOKSA-N 317.349 -0.559 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(O)(CNC(=O)[C@@H]2CCCO2)C1 1041351295 YKSBBNNYIZMWKV-SMDDNHRTSA-N 312.366 -0.818 30 20 DBED CC#CCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCOC2)C1 1041889780 RQKSCARNAYHMIR-CYBMUJFWSA-N 308.378 -0.094 30 20 DBED C#CCN1CC[C@@H]2CCN(C(=O)Cn3ncn(C)c3=O)C[C@@H]21 1042122113 MBAMNYABIYJKGQ-OLZOCXBDSA-N 303.366 -0.862 30 20 DBED C=CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)c2cncn2C)C1 1043754045 BECQDFSHZQVFAA-LLVKDONJSA-N 322.365 -0.686 30 20 DBED N#Cc1cccnc1N1C[C@H](O)[C@H](NC(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1044386326 QZUMBWVDVQTUIL-BJJPWKGXSA-N 314.345 -0.489 30 20 DBED C[C@H]1C[C@H](NCC#N)CCN1C(=O)CCn1ncn(C)c1=O 1044689187 NIFKOKCIPBQWMB-NWDGAFQWSA-N 306.370 -0.535 30 20 DBED C=C[C@@H](C)[C@H](C)C(=O)NCC1(O)CN(C(=O)c2nc[nH]n2)C1 1044978811 AAIQLKSDTAYKRW-ZJUUUORDSA-N 307.354 -0.434 30 20 DBED CCc1nocc1C(=O)N1CC(O)(CNC(=O)[C@@H](C)C#N)C1 1045551671 KRKJXWKRVDLYOY-VIFPVBQESA-N 306.322 -0.300 30 20 DBED CC(C)c1cc(C(=O)N2CC(O)(CNC(=O)[C@H](C)C#N)C2)n[nH]1 1045554679 HJHLDPAEUXFKHE-SNVBAGLBSA-N 319.365 -0.004 30 20 DBED C#CCN1[C@H]2CC[C@H]1CN(C(=O)CN1CCN(C)C(=O)C1)CC2 1045805705 HHHCRSHMSIWRSY-GJZGRUSLSA-N 318.421 -0.541 30 20 DBED N#CCN1CCC(F)(F)[C@@H](CNC(=O)C2CS(=O)(=O)C2)C1 1046940124 RUHKGNLXWRPKDG-JTQLQIEISA-N 321.349 -0.372 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1047464704 IDLXATWDVVECLB-IHCJZGQOSA-N 304.390 -0.063 30 20 DBED CCc1cc(C(=O)N(C)[C@H]2CN(CC#N)C[C@@H]2O)c(C)nn1 1047473216 PCOOCKHBOBYFPX-KBPBESRZSA-N 303.366 -0.012 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(=O)n2C)C1 1047523240 UXJVTIPZWVCBAQ-KBPBESRZSA-N 303.362 -0.474 30 20 DBED N#Cc1cnc(N2CC[C@@H]3CN(C(=O)CC(N)=O)C[C@@H]3C2)cn1 1049270253 VLNAUUCGYCRNLS-MNOVXSKESA-N 314.349 -0.492 30 20 DBED C=CCn1cc(C(=O)N2CCC[C@H]3[C@@H]2CCN3CC(N)=O)nn1 1049773958 TYPCBEILIQICOA-STQMWFEESA-N 318.381 -0.372 30 20 DBED CC#CCN1C[C@@H]2CCCN(C(=O)[C@@H]3CN(C)C(=O)N3)[C@@H]2C1 1050113190 PPKFYAZFJOBWIX-MELADBBJSA-N 304.394 -0.044 30 20 DBED CC(C)C#CC(=O)N1CC[C@@H]([C@H](C)NC(=O)CNC(N)=O)C1 1050643297 ZUSVAFDGCAREGQ-NWDGAFQWSA-N 308.382 -0.333 30 20 DBED N#CCN1CCOC[C@@H]1CNC(=O)[C@@H]1CN2CC3CC2(CO1)C3 1051037904 OWJRWZARLVDIDH-WJEHIRDRSA-N 320.393 -0.810 30 20 DBED C#CCN1CCN([C@@H]2CCN(C(=O)[C@@H]3COCCN3C)C2)CC1 1052017348 GYMKTBHCNFGYGW-CVEARBPZSA-N 320.437 -0.831 30 20 DBED C[C@@H]1CN(C(=O)c2cnn[nH]2)C[C@@H]1CNC(=O)CSCC#N 1052918865 ACUDWSFYSCEAHF-ZJUUUORDSA-N 322.394 -0.114 30 20 DBED C#CCN1CC2(C1)CN(C(=O)c1cc3n(n1)CCCO3)CCO2 1053335914 NRNDVNFMVOXJDB-UHFFFAOYSA-N 316.361 -0.174 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)[C@@H](C)[C@@H]1CCC(=O)N1)CCO2 1053442642 NETOLOLYPWRFCL-KBPBESRZSA-N 319.405 -0.162 30 20 DBED C=CCCN1CC2(C[C@H](NC(=O)[C@@H]3CN(C)CCO3)CO2)C1 1053766405 MNSXXEJHRTUCRV-KBPBESRZSA-N 309.410 -0.147 30 20 DBED Cn1cnn(CC(=O)N2CCC[C@]3(CCN(CC#N)C3)C2)c1=O 1054156497 REFSUBDILRXSOI-OAHLLOKOSA-N 318.381 -0.580 30 20 DBED C[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1NCCN1CCNC1=O 1054657504 OEULGJJWNYYMAG-GXTWGEPZSA-N 304.394 -0.139 30 20 DBED C[C@H](C#N)C(=O)NCCN1CCC(NC(=O)c2cnon2)CC1 1055631560 IFYWAETZBJSOLG-SNVBAGLBSA-N 320.353 -0.460 30 20 DBED CC(=O)N(C)CC(=O)N[C@]1(CO)CCCN(C(=O)[C@H](C)C#N)C1 1055784235 PVRRGENCIYSYDZ-IAQYHMDHSA-N 324.381 -0.906 30 20 DBED C=CCC(CC=C)C(=O)N[C@]1(CO)CCCN(C(=O)C(N)=O)C1 1055958542 LUKSVPUUSKFJSD-MRXNPFEDSA-N 323.393 -0.290 30 20 DBED CCNC(=O)CC(=O)N1CCC[C@](CO)(NC(=O)[C@H](C)C#N)C1 1056094980 ZMMQQJHQBCUWQO-ABAIWWIYSA-N 324.381 -0.858 30 20 DBED CC(C)(C(N)=O)C(=O)N1CC[C@@H](Nc2cnc(C#N)cn2)C1 1056720424 MNNQNCVQCBVOEE-SECBINFHSA-N 302.338 -0.127 30 20 DBED N#Cc1ccc(N[C@@H]2CCN(C(=O)[C@@H]3CCCNC3=O)C2)nn1 1056721394 MMAYGYYJLGPLPW-VXGBXAGGSA-N 314.349 -0.113 30 20 DBED C#CCC1(C(=O)NCCN(CCO)C(=O)CC(=O)NC)CCC1 1057411797 PJAQQNQPTTZPGF-UHFFFAOYSA-N 323.393 -0.747 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)[C@H]1CCCC(=O)N1 1057445382 SICCVLPXUXMGKL-CYBMUJFWSA-N 323.393 -0.604 30 20 DBED Cc1nccc(C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N)n1 1057655053 XZHCOYCMVDBUOJ-JTQLQIEISA-N 305.338 -0.505 30 20 DBED C=C(C)CCC(=O)N(CCO)CCNC(=O)COCCOC 1057804317 BTBGWBMWCSSWIE-UHFFFAOYSA-N 316.398 -0.057 30 20 DBED N#Cc1nccc(N2CCC[C@@H](NC(=O)Cn3cncn3)C2)n1 1058159908 BBCDGELICFASOD-LLVKDONJSA-N 312.337 -0.275 30 20 DBED CN1CCOC[C@@H]1C(=O)N[C@H]1CCN(c2ccncc2C#N)C1 1058319065 MFOBJGKYBFFSGW-DZGCQCFKSA-N 315.377 -0.021 30 20 DBED C[C@@H]1CO[C@@H](C(=O)N(CCO)CCNC(=O)C#CC2CC2)C1 1058327285 RQANHSQHETVTNM-GXTWGEPZSA-N 308.378 -0.238 30 20 DBED CN1CC[C@@H](C(=O)N[C@H]2CCN(c3cnc(C#N)cn3)C2)C1 1058373898 SBSUDXDZHBNGAD-NEPJUHHUSA-N 300.366 -0.005 30 20 DBED C=CCOCC(=O)N1CC[C@H](CCNC(=O)c2cnn[nH]2)C1 1059340082 JLAVMRAIUOIECQ-NSHDSACASA-N 307.354 -0.024 30 20 DBED C[C@@]1(C(=O)N[C@H]2C[C@@H](N=c3cc[nH]c(C#N)n3)C2)CCC(=O)N1 1059813264 SHVFYFQHLYGJOK-WMFXKJRFSA-N 314.349 -0.502 30 20 DBED C=C(C)CCC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1CNC(=O)N1 1061630692 AYXQYWOXBNMZCR-RYUDHWBXSA-N 324.381 -0.632 30 20 DBED C#CCCCC(=O)N1CCOC[C@H]1CNC(=O)c1[nH]nnc1C 1061746732 XOTTWVRXCDRMNF-GFCCVEGCSA-N 319.365 -0.126 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)CCc1cnn[nH]1 1061853208 QQEZAAWJSISIQU-CMPLNLGQSA-N 320.353 -0.759 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2c1ncnc2c1nnn2C 1062457457 XBGZKWMESYGVCL-GUBZILKMSA-N 312.337 -0.293 30 20 DBED N#Cc1nccnc1NC[C@H]1CCCN1C(=O)[C@@H]1CNC(=O)N1 1063552718 XJDFWIPWQMSONL-KOLCDFICSA-N 315.337 -0.567 30 20 DBED C=CCOCC(=O)NC1(CNC(=O)[C@@H]2CC[C@@H]2C(N)=O)CCC1 1063901686 NZFRHFQXKCTGSF-NWDGAFQWSA-N 323.393 -0.144 30 20 DBED CCn1ncc(C(=O)N[C@@H]2[C@H]3C[C@H]2N(c2nccnc2C#N)C3)n1 1064245714 AAHPWIUFYDYYLF-ZWKOPEQDSA-N 324.348 -0.033 30 20 DBED Cc1nc(CC(=O)N[C@@H]2[C@H]3C[C@H]2N(c2ccnc(C#N)n2)C3)n[nH]1 1064249565 CSCVKWFWQLIPGH-FEUHOPSXSA-N 324.348 -0.289 30 20 DBED Cn1nccc1C(=O)N1CCO[C@H](CNC(=O)C#CC2CC2)C1 1064944668 YIUPGISHKVXGGW-CYBMUJFWSA-N 316.361 -0.209 30 20 DBED Cc1[nH]nc(C(=O)N2CCO[C@@H](CNC(=O)[C@@H](C)C#N)C2)c1O 1065048950 UOJZFNYFSANHQA-WPRPVWTQSA-N 321.337 -0.459 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCO[C@H](CNC(=O)c2cocn2)C1 1065096280 BYUFOOZHHCFATE-IAQYHMDHSA-N 323.349 -0.041 30 20 DBED C#CCOCCC(=O)N1CCO[C@@H](CNC(=O)CSC)C1 1065150498 QLVKLNMDHCKTLJ-LBPRGKRZSA-N 314.407 -0.267 30 20 DBED C[C@H]1CN(C(=O)CC(N)=O)C[C@@H]1CNc1ccc(C#N)nn1 1065829908 RRWATTOQDQAZRM-UWVGGRQHSA-N 302.338 -0.270 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CCCN(C(=O)Cn2ncnn2)CC1 1066478998 OPVSORFARHKWEG-QWRGUYRKSA-N 305.342 -0.670 30 20 DBED C[C@H]1CN(C(=O)Cn2ncnn2)C[C@H]1Nc1ncccc1C#N 1067149941 YUXHKOYRXYAFMX-CMPLNLGQSA-N 312.337 -0.101 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCCN(C)C(=O)[C@H]1CC(=O)N(C)C1 1067616538 CUTZWXVYUBHQFY-RYUDHWBXSA-N 308.382 -0.069 30 20 DBED Cn1nnc(C(=O)NC2CC(CN=c3cc[nH]cc3C#N)C2)n1 1067878997 PATOXLNJYJHXPN-UHFFFAOYSA-N 312.337 -0.481 30 20 DBED C#CCCCC(=O)N1CCOC2(C1)CN(C(=O)CC(N)=O)C2 1068386758 CMKYZJJLNXUBPY-UHFFFAOYSA-N 307.350 -0.895 30 20 DBED C=CCCC(=O)N[C@H]1COC2(C1)CN(C(=O)CNC(=O)CC)C2 1068747111 HAMDSUTVDBWGBK-GFCCVEGCSA-N 323.393 -0.035 30 20 DBED CC(C)C#CC(=O)N[C@H]1COC2(C1)CN(C(=O)c1cnn[nH]1)C2 1068853031 IITXDJVBBHJTLS-LLVKDONJSA-N 317.349 -0.436 30 20 DBED C[C@H](C#N)C(=O)N1CC2(C[C@H](NC(=O)CCN(C)C)CO2)C1 1069008416 FVVNZVHZRZPVNK-NEPJUHHUSA-N 308.382 -0.416 30 20 DBED C[C@H]1C[C@H](N=c2cc[nH]cc2C#N)CN1C(=O)c1nnn(C)n1 1069177893 HJBVMAODTXBPTJ-ONGXEEELSA-N 312.337 -0.386 30 20 DBED C#CCN[C@@H]1CN(C(=O)C[C@H]2COC(=O)C2)C[C@@H]1n1ccnn1 1070176628 KERPKGNKWFHSJG-UPJWGTAASA-N 317.349 -0.794 30 20 DBED Cc1ccnn1CC(=O)N1C[C@H](n2ccnn2)[C@H](NCC#N)C1 1070289741 TTXDJAADGHGLQP-OLZOCXBDSA-N 314.353 -0.652 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)Cc4ncc[nH]4)C[C@@]3(C1)O2 1070874659 UDFVNCOGWUBRHG-XJKCOSOUSA-N 300.362 -0.113 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@@]2(CCN(CC(N)=O)C2)O1 1071166898 PMFCVGRHQZEONX-WBMJQRKESA-N 305.378 -0.423 30 20 DBED C[C@@H]1CN(C(=O)CSCC#N)C[C@@H]1NC(=O)c1cnon1 1071662260 TWVBMCDWKRHTHJ-SCZZXKLOSA-N 309.351 -0.097 30 20 DBED C=CCOCC(=O)N1C[C@H](C)[C@@H](NC(=O)c2cnn(C)c2N)C1 1071809028 OYTQZCVQWHLASH-JQWIXIFHSA-N 321.381 -0.218 30 20 DBED C[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1NC(=O)CNC(N)=O 1071874325 ILBVQADHYSCZPS-KWQFWETISA-N 318.337 -0.869 30 20 DBED C=CCCOCC(=O)N[C@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1C 1072014223 NPRFSCULAWQHIK-NEPJUHHUSA-N 321.381 -0.016 30 20 DBED O=C1CC[C@H](N2CCC3(CN(C(=O)C#CC4CC4)C3)C2)C(=O)N1 1072721268 KUVHMFBUEJFLTI-ZDUSSCGKSA-N 315.373 -0.261 30 20 DBED Cn1nc(C(=O)N2CC[C@@H]3OCCN(CC#N)[C@@H]3C2)ccc1=O 1074400886 XAPLJTUUUKAZOS-OLZOCXBDSA-N 317.349 -0.781 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)C1=COCCC1 1076219082 STTVXUCCTSKDHC-LBPRGKRZSA-N 321.377 -0.169 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)c1c[nH]nc1C 1076220160 QZBIMLCUDHIAGS-JTQLQIEISA-N 319.365 -0.518 30 20 DBED C[C@@H](CCNC(=O)[C@H](C)NC(N)=O)NC(=O)c1cc(C#N)c[nH]1 1076266260 MQLHJKAPJSNFCA-IUCAKERBSA-N 320.353 -0.432 30 20 DBED C[C@@H](CCNC(=O)C1CC(=O)NC(=O)C1)NC(=O)C#CC1CC1 1077383237 TUIZDBQBKMXQPV-JTQLQIEISA-N 319.361 -0.536 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC(=O)N(C)C2)C1 1078234135 LQOVOHJXZKIYCI-IJLUTSLNSA-N 315.801 -0.231 30 20 DBED C[C@@H](C#N)C(=O)N1CCc2ccccc2[C@H]1CNC(=O)C(N)=O 1079126618 JADMMJIWEIUEJQ-GXFFZTMASA-N 314.345 -0.126 30 20 DBED C=CCOCC(=O)N(CC)C1CN(C(=O)[C@H](C)NC(C)=O)C1 1079490594 WMRJYXGCKRANCH-NSHDSACASA-N 311.382 -0.227 30 20 DBED C#CCN1CCC(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)CC)C2)CC1 1081145015 VMRQSVUKHYPVTH-LSDHHAIUSA-N 321.421 -0.323 30 20 DBED Cc1ncc(C(=O)N2C[C@H](O)[C@H](CNC(=O)C#CC(C)C)C2)[nH]1 1081464112 VSIYLKTZSHWHPQ-OCCSQVGLSA-N 318.377 -0.073 30 20 DBED C=C1CC(C)(C(=O)NC[C@@H]2CN(C(=O)CC(=O)NC)C[C@@H]2O)C1 1081753573 XEQSWYCDNQNCDH-NEPJUHHUSA-N 323.393 -0.586 30 20 DBED C#CCN1C[C@@H](NC(=O)c2ccc(C(N)=O)s2)[C@H](OC)C1 1082232492 JGEHHMLIHHMKGN-NXEZZACHSA-N 307.375 -0.091 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)C[C@@H]2CCCC(=O)N2)C1 1083624817 BCNUACNJIJNVRY-TUAOUCFPSA-N 315.801 -0.041 30 20 DBED C[C@@H]1[C@@H](NC(=O)C2CC3(C2)CS(=O)(=O)C3)CCN1CC#N 1088658257 QLIHAYDSZHJRLW-PWSUYJOCSA-N 311.407 -0.086 30 20 DBED CC(=O)NCC(=O)N1CC[C@H](N=c2cc[nH]c(C#N)n2)[C@@H]1C 1090195051 MSAWMOBNCOULBN-ONGXEEELSA-N 302.338 -0.692 30 20 DBED C=CCN1CC[C@H](NC(=O)c2nc(OC)cc(OC)n2)[C@H](O)C1 1090364229 UXPJXFBSOKGKOK-WDEREUQCSA-N 322.365 -0.155 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2ccn(C)c(=O)c2)[C@H](O)C1 1090367517 GYKVTJLQUOIAHZ-ZIAGYGMSSA-N 303.362 -0.426 30 20 DBED CCCCOCC(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1O 1090388497 ZOSNWLVRZZCOIW-CHWSQXEVSA-N 319.365 -0.169 30 20 DBED CO[C@H](C)CCC(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1O 1090401479 RYHXAVYIACUVBM-RAIGVLPGSA-N 319.365 -0.171 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(c2ccnc(C)n2)C[C@H]1C 1090702791 PCGQXCYXUYAHGJ-DGCLKSJQSA-N 315.377 -0.135 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2ccc(N(C)C)cn2)[C@@H](O)C1 1090840436 ZPFYBZDGYWSKCN-HIFRSBDPSA-N 302.378 -0.054 30 20 DBED Cc1nsc(N2C[C@H](O)[C@H](NC(=O)CSCC#N)C2)n1 1091071129 WPVFSPHDRJYSRJ-BDAKNGLRSA-N 313.408 -0.231 30 20 DBED CC[C@@H](C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@@H]1O)N(C)C 1091122771 DXBLEVRYFSTJKB-AGIUHOORSA-N 318.381 -0.646 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CN(Cc3nc(=O)n(C)[nH]3)C[C@@]2(C)C1 1091547566 LJAKIJKYIZMAJQ-RWSFTLGLSA-N 318.381 -0.452 30 20 DBED CC(=O)N[C@H](C)C(=O)NC1[C@H]2CN(c3ccc(C#N)nn3)C[C@H]12 1093206941 BANQBWDGPCZGFL-ZHAHWJHGSA-N 314.349 -0.576 30 20 DBED Cc1nc(N2C[C@@H]3C(NC(=O)CNC(N)=O)[C@H]3C2)ccc1C#N 1093211943 WOCAUTOUYKOHMM-QWRGUYRKSA-N 314.349 -0.519 30 20 DBED C#CCN1CC(OC2CCN(C(=O)[C@H]3CC(=O)N(C)C3)CC2)C1 1093540083 CFOJIECNELDKEB-ZDUSSCGKSA-N 319.405 -0.210 30 20 DBED N#Cc1cnc(NCCNC(=O)[C@H]2CCCS2(=O)=O)cn1 1093669826 IGNJEHGCRVCYJO-SNVBAGLBSA-N 309.351 -0.546 30 20 DBED CN1CCOC[C@H]1C(=O)NCCCN=c1cc[nH]c(C#N)n1 1094395534 LQSTVNAABBEKEQ-NSHDSACASA-N 304.354 -0.981 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(CCF)[C@H]2CS(=O)(=O)C[C@H]21 1094614597 JRWVSFWZHBOCEA-GARJFASQSA-N 303.359 -0.575 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)c3ccnn3C)CC2=O)C1 1094713957 MNPYKEIJJTYWOB-LLVKDONJSA-N 301.350 -0.932 30 20 DBED Cc1cc(C#N)nc(N(C)CCCNC(=O)[C@H]2C[C@H]2C(N)=O)n1 1095739507 RZVPDXYSYLQNTA-NEPJUHHUSA-N 316.365 -0.279 30 20 DBED CCN(CCCNC(=O)CNC(=O)NC)c1ccc(C#N)nn1 1095980249 NEZOJZGOMKRUKB-UHFFFAOYSA-N 319.369 -0.390 30 20 DBED Cc1cc(C#N)nc(N[C@H](C)CNC(=O)[C@@H]2CN(C)CCO2)n1 1097768130 GRYINTMDPHRGSD-YPMHNXCESA-N 318.381 -0.096 30 20 DBED N#Cc1cc(C(=O)N[C@]23CCC[C@H]2CN(CC(N)=O)C3)c[nH]1 1098800430 BLAKNARLINUCMU-NHYWBVRUSA-N 301.350 -0.044 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CCN(CC(=O)N2CCC2)C[C@H]1O 1099812197 CCTYFVSMBNWMSS-ZIAGYGMSSA-N 305.378 -0.817 30 20 DBED C#CCOCCC(=O)N[C@H]1CCN(Cc2cncn2C)C[C@H]1O 1099833471 WMJQBFBBZMZTAQ-LSDHHAIUSA-N 320.393 -0.489 30 20 DBED C#CCCN1CC[C@H](NC(=O)CCn2ccccc2=O)[C@H](O)C1 1099867531 YAPHTKZDMIISIT-LSDHHAIUSA-N 317.389 -0.187 30 20 DBED CN(CCNC(=O)Cn1cnnn1)c1cccc(F)c1C#N 1099914349 NSUNBPFPBHMTPO-UHFFFAOYSA-N 303.301 -0.064 30 20 DBED COCC#CCN1CC[C@H](NC(=O)Cc2cscn2)[C@@H](O)C1 1100023969 BTAFIYHKDDUFMS-KBPBESRZSA-N 323.418 -0.113 30 20 DBED COCC#CCN1CC[C@H](NC(=O)Cc2[nH]cnc2C)[C@H](O)C1 1100087462 MBKPKTYRSUYCOI-DZGCQCFKSA-N 320.393 -0.538 30 20 DBED Cc1c[nH]cc1C(=O)N[C@H]1CCN(CC(=O)NCC#N)C[C@@H]1O 1100107660 JKSVRGAAUXZLPX-STQMWFEESA-N 319.365 -0.872 30 20 DBED CN(CCNC(=O)c1nnn(C)n1)c1ncc(C#N)cc1Cl 1100264619 WCRCYAPKRNOIOO-UHFFFAOYSA-N 320.744 -0.004 30 20 DBED CN1CC[C@H](C(=O)NCCN(C)c2nccnc2C#N)C1=O 1100273587 ZKSNKTWBZNQKBS-SNVBAGLBSA-N 302.338 -0.621 30 20 DBED CCn1cc(CC(=O)NCCN(C)c2cncc(C#N)n2)nn1 1100422551 ZWVGLUAQQIEEIF-UHFFFAOYSA-N 314.353 -0.245 30 20 DBED N#Cc1nccc(N2CCC[C@H]2CNC(=O)CCNC(N)=O)n1 1100833246 LVHJXBCWOBAQGG-JTQLQIEISA-N 317.353 -0.508 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)c2ccc(C#C)nc2)C1 1100885963 ZRFCJJAQIIMEKS-UHFFFAOYSA-N 324.384 -0.090 30 20 DBED Cc1cc(N2CC[C@H](CNC(=O)CNC(N)=O)C2)c(C#N)cn1 1100928184 YTXCHRSRMVPDAX-LLVKDONJSA-N 316.365 -0.128 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)c1nccn2ccnc12 1101733042 POLRGVZXMNSFKN-UHFFFAOYSA-N 322.332 -0.003 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)[C@@H]1CCCNC1=O 1101815215 WWZVDGUCLBJGIR-SNVBAGLBSA-N 302.338 -0.833 30 20 DBED COC[C@@]1(C(=O)N(C)CCN=c2cc[nH]c(C#N)n2)CCOC1 1101873961 KABFJHKTTSFKGY-HNNXBMFYSA-N 319.365 -0.306 30 20 DBED COCC(=O)NCCC(=O)N(C)CCN=c1cc[nH]cc1C#N 1102004189 GVLZQLRUZORVQD-UHFFFAOYSA-N 319.365 -0.602 30 20 DBED CCN(C(=O)CNC(C)=O)[C@H]1CCN(c2ccnc(C#N)n2)C1 1102771698 RBDMSUFQKGARQW-LBPRGKRZSA-N 316.365 -0.088 30 20 DBED Cc1c(C(=O)N(C)CCN(C)c2nccnc2C#N)nnn1C 1105355554 QUTPBRJBSCAARR-UHFFFAOYSA-N 314.353 -0.006 30 20 DBED CC(=O)N[C@@H](C)C(=O)NC[C@H](O)CNc1nc(C)ccc1C#N 1105734801 DXYULLJGEXLFQR-GXFFZTMASA-N 319.365 -0.325 30 20 DBED C=CCCO[C@@H](C)C(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1 1105737891 LRGBBEDSCLZVFW-RYUDHWBXSA-N 319.365 -0.360 30 20 DBED C[C@H](C(=O)NC[C@@H](O)CNc1nccnc1C#N)n1cccn1 1105766794 FOSAKUHAIMGGHD-MNOVXSKESA-N 315.337 -0.305 30 20 DBED CN1CCCC[C@H]1C(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1 1106059277 GARMCLIFWYCHEG-NEPJUHHUSA-N 318.381 -0.857 30 20 DBED Cc1cc(C#N)nc(NC[C@H](O)CNC(=O)CC(=O)N(C)C)n1 1106134613 YPVMWGLOWFOBTC-LLVKDONJSA-N 320.353 -0.976 30 20 DBED C[C@H](CCNc1nccnc1C#N)NC(=O)[C@@H]1COCCN1C 1106277468 HCAYXIYBVCQWQR-YPMHNXCESA-N 318.381 -0.014 30 20 DBED C#CCNC[C@@H]1CN(C(=O)[C@H]2C[C@H](OC)CN2C(C)=O)C[C@H]1C 1106481080 MRXVPDBSIOEMTR-DMRZNYOFSA-N 321.421 -0.061 30 20 DBED COC[C@@H](C)CC(=O)N1C[C@@H](C)[C@H](CNCC(=O)NCC#N)C1 1106818612 TYVLSKPFLQVRNA-BFHYXJOUSA-N 324.425 -0.017 30 20 DBED C#CCN1CC(n2cc(CNC(=O)COCCOC)nn2)C1 1107149862 SWFSLYUWMSAGDE-UHFFFAOYSA-N 307.354 -0.953 30 20 DBED N#Cc1cnc(NC/C=C\CNC(=O)[C@H]2CNC(=O)N2)cn1 1107490087 RIZPRVBLADAIJO-JWXWKVPASA-N 301.310 -0.886 30 20 DBED COC[C@@H](O)CN1CCO[C@](C)(CNC(=O)C#CC(C)C)C1 1107926592 KPADOUQCBQHCTE-GOEBONIOSA-N 312.410 -0.140 30 20 DBED C#CCCN1CCO[C@](C)(CNC(=O)[C@H](C)S(C)(=O)=O)C1 1108027130 NKZGGGUZLDLXBR-GXTWGEPZSA-N 316.423 -0.350 30 20 DBED CC#CCN1CCO[C@@](C)(CNC(=O)c2cn(C)c(=O)cn2)C1 1108084745 MLOHXIOMNRPGOV-INIZCTEOSA-N 318.377 -0.376 30 20 DBED C[C@@H](CNc1nccn2nnnc12)NC(=O)c1c[nH]c(C#N)c1 1108321005 HLZPLFGBNWGEFJ-QMMMGPOBSA-N 311.309 -0.051 30 20 DBED N#CCN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCCS(N)(=O)=O)C2 1108752647 OLAVTXIHBFFSJF-TUAOUCFPSA-N 314.411 -0.452 30 20 DBED C[C@@H](CNc1cnc(C#N)cn1)NC(=O)[C@H]1CCC(=O)NC1 1108776850 QALSPFUQTRBSBM-UWVGGRQHSA-N 302.338 -0.209 30 20 DBED C[C@H](CN(C)c1ccnc(C#N)n1)NC(=O)[C@H]1CN(C)C(=O)N1 1109194745 VIFQBYUWIZBCLG-NXEZZACHSA-N 317.353 -0.687 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1nnnn1C 1109265990 JPMKIXJCIBXZRV-RNJOBUHISA-N 318.381 -0.530 30 20 DBED CO[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N)C1CC1 1110516138 LLLPOAQHPJURQQ-CXTNEJHOSA-N 320.393 -0.227 30 20 DBED C[C@]1(NC(=O)Cn2ncnn2)CCN(c2ccc(C#N)nn2)C1 1110786479 VMYCGIWKHZTHHF-ZDUSSCGKSA-N 313.325 -0.880 30 20 DBED C=CCOCC(=O)NC[C@]1(O)CCN(c2nccnc2C#N)C1 1111040066 WBBSOUKQHJJPRQ-OAHLLOKOSA-N 317.349 -0.392 30 20 DBED N#Cc1cnc(N2CC[C@@](O)(CNC(=O)CC(N)=O)C2)c(F)c1 1111054193 XCIHQMWTMKBQMZ-CQSZACIVSA-N 321.312 -0.975 30 20 DBED Cn1cc(C(=O)N(CCO)CCNc2cnc(C#N)cn2)cn1 1111417806 WSKQLRWPTDHRKX-UHFFFAOYSA-N 315.337 -0.372 30 20 DBED C[C@H]1CN(C(=O)[C@H](C)NC(N)=O)CC2(CCN(CC#N)CC2)O1 1111541803 CZGCOCCKASVPRL-RYUDHWBXSA-N 323.397 -0.351 30 20 DBED N#Cc1nccnc1NC1(CNC(=O)[C@H]2COC(=O)N2)CCC1 1111803773 PPKGIQZQMRVEJY-SNVBAGLBSA-N 316.321 -0.093 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)C[C@H]2CCCO2)CC1 1112633974 CDUBZBMDUIMNLK-UONOGXRCSA-N 307.394 -0.162 30 20 DBED C=CCOCC(=O)N1CCN(CCOCCNC(C)=O)CC1 1112708810 ZJEVMDCONDIZLA-UHFFFAOYSA-N 313.398 -0.514 30 20 DBED C[C@H](NC(=O)Cn1nccn1)[C@@H](C)Nc1cncc(C#N)n1 1113173071 JAKWPJFTVKNMNK-ZJUUUORDSA-N 300.326 -0.055 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)Cn2ccnc2)CC1 1113727393 SNQYAIFXDSFKIO-CYBMUJFWSA-N 303.366 -0.835 30 20 DBED C[C@H](CNC(=O)[C@@H]1CCNC1=O)N(C)c1nccnc1C#N 1113802218 JWFOIYCWALDKQQ-NXEZZACHSA-N 302.338 -0.575 30 20 DBED CCS(=O)(=O)NCCN1C[C@H]2C(NC(=O)[C@@H](C)C#N)[C@@H]2C1 1114067502 SPQBZVVXGOYKMX-HBNTYKKESA-N 314.411 -0.868 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)C[C@@](C)(O)C3CC3)[C@H]2C1 1114149151 PQQZLTRMTYITIK-OSRSDYAFSA-N 319.405 -0.667 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)CC(C)(C)O)[C@H]2C1 1114212504 KIRNCUZTTAQFBC-SRVKXCTJSA-N 309.410 -0.116 30 20 DBED CC(C)[C@@H](C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21)N(C)C 1114440703 VJBVHVAIOQHSIK-MXYBEHONSA-N 321.425 -0.741 30 20 DBED C#Cc1ccc(C(=O)NC2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]23)cc1 1114660599 NNJINDSEGGMPLM-HUUCEWRRSA-N 322.368 -0.032 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)c3conc3CC)[C@@H]2C1 1114787911 ZHXPYQXHOFLAJF-GHMZBOCLSA-N 316.361 -0.354 30 20 DBED C=CCOCCN1C[C@H]2C(NC(=O)[C@H]3C[C@H]3C(=O)N(C)C)[C@@H]2C1 1114835849 RSYNZLMLUANCOD-REWJHTLYSA-N 321.421 -0.040 30 20 DBED CNC(=O)CC(=O)N1CCC(N(C)c2ccc(C#N)nn2)CC1 1115136941 BPOHZARHSHDMCK-UHFFFAOYSA-N 316.365 -0.088 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CCN(c2cnccn2)CC1 1117581526 MKZGNAJWNPBABH-GFCCVEGCSA-N 319.365 -0.558 30 20 DBED C[C@@H](CNC(=O)C(=O)N1CC[C@](O)(CC#N)C1)N(C)C1CC1 1118217683 ZQGCNTDULXHOTB-XHDPSFHLSA-N 308.382 -0.538 30 20 DBED CO[C@H](CNC(=O)C(=O)N1CC[C@@](O)(CC#N)C1)C(F)(F)F 1118218524 IDGYSZDYINUZRT-KCJUWKMLSA-N 323.271 -0.443 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1C[C@@H](C(=O)OC)[C@H](C2CC2)C1 1118357875 DHNQKKUINAFMBK-FRRDWIJNSA-N 324.377 -0.039 30 20 DBED C=C(C)CN(C)C(=O)C(=O)NC[C@H]1CC[C@@H](C(=O)N(C)C)O1 1118797627 OZCCNEBWZHMKHY-NEPJUHHUSA-N 311.382 -0.227 30 20 DBED C#CCOCCC(=O)N(C)C[C@@H](C)Nc1nccn2nnnc12 1120093371 LNENKEZPWBLYIG-LLVKDONJSA-N 317.353 -0.182 30 20 DBED C[C@@H](CN(C)C(=O)[C@@H](C)CC(N)=O)N=c1cc[nH]c(C#N)n1 1120399167 KAYKXSRBPGJZLU-UWVGGRQHSA-N 304.354 -0.460 30 20 DBED N#Cc1nc(=N[C@@H](CO)CNC(=O)COCC2CC2)cc[nH]1 1121092454 NYJWAGJJHGOEQD-LLVKDONJSA-N 305.338 -0.914 30 20 DBED N#Cc1cnc(N[C@H](CO)CNC(=O)[C@@H]2COCCO2)c(F)c1 1121142707 GTPBNXMZCKQLFX-JQWIXIFHSA-N 324.312 -0.603 30 20 DBED Cc1cc(C#N)nc(N[C@H](CO)CNC(=O)Cc2cc[nH]n2)n1 1121398658 IWNZEEQQHXCSQA-LBPRGKRZSA-N 315.337 -0.489 30 20 DBED CCCN(C)CC(=O)NC[C@H](CO)N=c1cc(C)[nH]cc1C#N 1121887554 HYSYEJSDXHAMMS-CQSZACIVSA-N 319.409 -0.086 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H](CO)Nc1ccc(C#N)nc1 1122037629 XTHZGAZZMYXAAV-SMDDNHRTSA-N 302.334 -0.119 30 20 DBED C[C@@]1(C(=O)NC[C@H](CO)Nc2ncccc2C#N)CCNC1=O 1122543680 OXCRFTSPRSCJNS-IAQYHMDHSA-N 317.349 -0.632 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CCCN(c2ccc(C#N)nn2)[C@H]1C 1123512098 BTSNLPMKZPMFRL-GXFFZTMASA-N 316.365 -0.042 30 20 DBED CC(=O)N[C@@H](C)C(=O)N(C)C[C@@H](O)CNc1cncc(C#N)n1 1124060239 VFXRQQZNILUMNM-CABZTGNLSA-N 320.353 -0.896 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)Cn2cc(C)cn2)C1=O 1124287924 PWLMRPSEBXJOCD-CYBMUJFWSA-N 305.382 -0.316 30 20 DBED C=C[C@](C)(O)CC(=O)NCCNCC(=O)NCCCOC 1126364984 DIUZQHPVOZFJEC-AWEZNQCLSA-N 301.387 -0.828 30 20 DBED COC[C@H](C)OC[C@H](O)CNCCNC(=O)C#CC(C)C 1126815370 BHADDOVNNWPMRR-UONOGXRCSA-N 300.399 -0.236 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)[C@@]12COC[C@@H]1C2 1127753870 PWACXONRWCJLOQ-PGUXBMHVSA-N 324.381 -0.871 30 20 DBED C#CCNC(=O)CNCCNC(=O)C[C@@H]1Cc2ccccc2O1 1128037280 DVEBQFPTGBZEES-AWEZNQCLSA-N 315.373 -0.165 30 20 DBED C#CCN1CCn2ncc(CNC(=O)Cc3cncn3C)c2C1 1128559680 BCMYUZWBHPHESE-UHFFFAOYSA-N 312.377 -0.076 30 20 DBED C[C@H]1CC[C@@H](NC(=O)Cc2cnoc2)CN1CC(=O)NCC#N 1132235938 VPRQYSVYYXTYLP-WCQYABFASA-N 319.365 -0.174 30 20 DBED Cn1nnc(C(=O)NCCNCc2ccc(C#N)c(F)c2)n1 1132523796 ZNOXNAWZRMWDKC-UHFFFAOYSA-N 303.301 -0.260 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](C)[C@@H](CNCCCO)C1 1132769102 KICWYVJRSOEQPA-KGLIPLIRSA-N 309.410 -0.418 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@@H](C)N(C)CC(F)(F)F 1132791447 ZTVFOVRJKWCQSM-SNVBAGLBSA-N 322.331 -0.676 30 20 DBED C=CCOCCNCCNC(=O)[C@@H]1CCc2nnn(C)c2C1 1132920833 PDFOALSIYXJXRV-GFCCVEGCSA-N 307.398 -0.172 30 20 DBED C=CCNC[C@H]1CN(C(=O)CS(=O)(=O)NC)CC[C@@H]1C 1133333448 HPMRYFHDJKJRKW-RYUDHWBXSA-N 303.428 -0.204 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)c1cc(=O)n(C)o1 1134219171 JRUSLHGOQNXIBZ-MNOVXSKESA-N 322.365 -0.786 30 20 DBED C#CCN[C@@H](C)C[C@@H](C)NC(=O)c1cn(CC(=O)N(C)C)nn1 1146584977 VRZHKMFWODHYMW-NWDGAFQWSA-N 320.397 -0.514 30 20 DBED COCC#CCN1CCC2(C1)CN(C(=O)[C@H]1CCCC(=O)N1)C2 1147761132 ZVTHKOZLCOVXEQ-CQSZACIVSA-N 319.405 -0.161 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)C(C)(C)COC)C2 1147890088 RCUDIUCKNMCVFH-UHFFFAOYSA-N 321.421 -0.057 30 20 DBED C=CCNC(=O)CN1CCC2(C1)CN(C(=O)[C@@H](C)CC(N)=O)C2 1148033145 XTMWCCBAOQIBKI-LBPRGKRZSA-N 322.409 -0.666 30 20 DBED N#CCNC(=O)CN1CCCO[C@@H](CNC(=O)c2ccon2)C1 1149273021 ROAWMMXSXVDQRD-NSHDSACASA-N 321.337 -0.865 30 20 DBED CCOc1cccc(CC(=O)NCCNCC(=O)NCC#N)c1 1152658775 DRHVLWKKYONGED-UHFFFAOYSA-N 318.377 -0.027 30 20 DBED C=CCNC(=O)CN(CC)[C@H](C)CNC(=O)[C@@H]1CCNC(=O)C1 1152706232 DFLMQLDEGGDGHP-CHWSQXEVSA-N 324.425 -0.359 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H](C)N(CC)Cc1n[nH]c(C)n1 1152854833 IPWVHYPEKUERFC-LLVKDONJSA-N 320.397 -0.421 30 20 DBED C=CCNC(=O)NC(=O)CNCCCNC(=O)[C@H](C)OCC 1154939847 OJEGCHAYRDPVAX-NSHDSACASA-N 314.386 -0.481 30 20 DBED C#CCNC(=O)CC(=O)NCCCNCc1cccc(OC)n1 1156852708 LIBFZFYLMUUYRN-UHFFFAOYSA-N 318.377 -0.174 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)[C@H](C)NC(=O)CC 1158664047 ZLXONTKQEYIBDA-NEPJUHHUSA-N 310.398 -0.865 30 20 DBED C#CCC1(C(=O)NCCCN[C@@H](C)C(=O)NC(N)=O)CCC1 1159664815 HRUVUHPBAKGIOH-NSHDSACASA-N 308.382 -0.141 30 20 DBED COC1CCC(C(=O)NCCCNCC(=O)NCC#N)CC1 1165424675 LRPCOVFTXHSSBX-UHFFFAOYSA-N 310.398 -0.073 30 20 DBED N#CCNC(=O)CNCCCNC(=O)c1ccnc(C2CC2)n1 1167512975 MPARYXUHMYTUHV-UHFFFAOYSA-N 316.365 -0.297 30 20 DBED CC(C)(C)C(=O)NCC(=O)N1CC[C@H]2OCCN(CC#N)[C@H]2C1 1177149865 DOADAUXFJKJQQE-QWHCGFSZSA-N 322.409 -0.026 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCCCCNC(=O)CC(N)=O 1178085160 PBYISYMKDMHYNK-GFCCVEGCSA-N 310.398 -0.734 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)CN(C)C(C)=O)[C@H]1C 1178162524 CHDKLTYWQLWQIM-DYEKYZERSA-N 322.409 -0.818 30 20 DBED C[C@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)C[C@H]1CCOC1 1178401708 YTWYVQMYTKQPBT-XQQFMLRXSA-N 308.382 -0.368 30 20 DBED Cc1ccc(C(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)n1C 1180930423 DEUSPJCIZAWDDK-GFCCVEGCSA-N 303.366 -0.223 30 20 DBED C=CCOCCN1C[C@@H]2CCN(C(=O)c3nnn(C)n3)[C@@H]2C1 1188814294 ZPJJUNCYDXYDKP-NWDGAFQWSA-N 306.370 -0.441 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@@H]1CCN(C(=O)c2cnns2)C1 1189066804 HOSQZLVSFBIMTB-WDEREUQCSA-N 321.406 -0.178 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](N(C)C[C@H]2CCOC2)C1 1189769827 MHQPPNTVIVGAFF-ZIAGYGMSSA-N 307.394 -0.305 30 20 DBED C#CCCCC(=O)N1CC[C@H](N(C)[C@@H](C)C(=O)NC(N)=O)C1 1189925680 DUOLATMBHKNIGL-RYUDHWBXSA-N 308.382 -0.094 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2nc(C)no2)C[C@H]1O 1192844459 UQNLOCACDYQRGL-YUSALJHKSA-N 308.338 -0.922 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2cnc(C)nc2)C[C@H]1O 1192891613 OLUYPGZQHBFGIV-NILFDRSVSA-N 318.377 -0.515 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)c2cncnc2)CC1 1195556006 PWNYRGUCROKIPR-UHFFFAOYSA-N 301.350 -0.626 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)CNC(=O)c2cccnc2)C1 1196334128 ULTCPXYTHPTXEM-ZIAGYGMSSA-N 318.377 -0.451 30 20 DBED N#CCNC[C@H]1CN(C(=O)c2cn3c(n2)COCC3)CCCO1 1200808147 ZBPOYBFBFBQITP-LBPRGKRZSA-N 319.365 -0.242 30 20 DBED NC(=O)NC(=O)CN[C@H]1C[C@@H](NC(=O)C#CC2CC2)C12CCC2 1202889425 XJEHYXAMTPXRTA-NWDGAFQWSA-N 318.377 -0.388 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)[C@]2(C)CCOC2)CC1 1203052061 KGSIHYAZHYFPAA-MRXNPFEDSA-N 307.394 -0.257 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)c2cnc(C)[nH]2)CC1 1204787430 VODTVRRXXKJGST-UHFFFAOYSA-N 317.393 -0.091 30 20 DBED CC#CCNCC1CCN(C(=O)CN2C(=O)CNC2=O)CC1 1206916403 JCWCKONVKFRCQU-UHFFFAOYSA-N 306.366 -0.610 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC[C@H](NCc2nncn2C)C1 1208018657 SBDBRLVLXLQVFW-STQMWFEESA-N 305.382 -0.066 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H](C)NC(=O)CC)C[C@H]1C 1214693390 YHTUQDGXODMEAJ-JHJVBQTASA-N 322.409 -0.913 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)c2[nH]c(O)nc2C)C[C@H]1C 1214911318 UDWIODDBYADCHI-MWLCHTKSSA-N 321.381 -0.224 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)CC(=O)NCC(F)(F)F)C1 1220651483 DYRCQQDITZFCGM-BDAKNGLRSA-N 309.288 -0.598 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@@H]2CN(C(=O)COCC=C)[C@@H]2C1 1221443389 ZVNFBELFRRXOFN-RBSFLKMASA-N 319.405 -0.140 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3cccnn3)[C@@H]2C1 1221886958 WGSRBLSNELTLJX-TZMCWYRMSA-N 313.361 -0.628 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)c2nonc2C)C1 1222105882 XNAPACDTEHTYRD-LLVKDONJSA-N 305.338 -0.678 30 20 DBED Cn1nnnc1CN[C@@H]1CCCC[C@H]1NC(=O)CSCC#N 1224909720 AFIKGZRMHCBKBW-GHMZBOCLSA-N 323.426 -0.016 30 20 DBED CN1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCC#N 1225377585 BGPULBCMTCQRTR-MGPQQGTHSA-N 321.425 -0.263 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)[C@H](C2CC2)N(C)C)CC1 1227816539 FGIRBUDUBVDOBM-INIZCTEOSA-N 320.437 -0.343 30 20 DBED Cc1ccn(CC(=O)NC2CCN(CC(=O)NCC#N)CC2)n1 1229216081 YLSAECORXVRXOO-UHFFFAOYSA-N 318.381 -0.588 30 20 DBED Cc1cc(C(=O)N(C)C[C@H]2CCN2CC(=O)NCC#N)nn1C 1230916005 KPJNYFAAOFHFBC-GFCCVEGCSA-N 318.381 -0.485 30 20 DBED COCC#CCN1CC[C@@H]1CN(C)C(=O)[C@@H]1COCCN1C 1233707211 RWDXLZQPXXLFIU-CABCVRRESA-N 309.410 -0.501 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCN1C 1268959458 ASUAKYVAPDHBKT-MELADBBJSA-N 304.394 -0.885 30 20 DBED N#CC1(NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)CCOCC1 1318948616 HRACEYOYXOYQJX-JTQLQIEISA-N 303.322 -0.048 30 20 DBED N#CCNC(=O)CNC(=O)N1CC[C@H](C(F)(F)F)[C@@H](CO)C1 1323174072 KIARBUMRQDVTDJ-BDAKNGLRSA-N 322.287 -0.172 30 20 DBED N#CCCOCCOC(=O)CCn1cc(S(N)(=O)=O)cn1 1324222271 NGKXVZDVKSEFKR-UHFFFAOYSA-N 316.339 -0.606 30 20 DBED C#CCOCCNC(=O)C(=O)NCCNc1ccc(C#N)cn1 1324877588 FRERFWWCCZPMKS-UHFFFAOYSA-N 315.333 -0.753 30 20 DBED CC1(C)CN(C(=O)C(=O)NCC2(CC#N)CC2)C[C@@H](CO)O1 1325603952 ITPBQLLKSWVUBI-NSHDSACASA-N 309.366 -0.205 30 20 DBED C[C@H](NC(=O)C(=O)N1CCC[C@H](C#N)C1)[C@@H](C)N1CCOCC1 1332670697 YGFWAQMVIVJUGN-BFHYXJOUSA-N 322.409 -0.026 30 20 DBED COC(=O)[C@@H]1CC[C@H](NC(=O)C(=O)N2CC[C@](F)(C#N)C2)C1 1333170876 CXZIRFFXUCBMEH-BFVZDQMLSA-N 311.313 -0.092 30 20 DBED C#CCN1CCC[C@@H](NC(=O)N[C@@H]2CCS(=O)(=O)[C@@H]2C)C1 1333215747 PVIFVSSPOHDAKS-JHJVBQTASA-N 313.423 -0.041 30 20 DBED C[C@@H](CNC(=O)NC1CCN(CC#N)CC1)S(C)(=O)=O 1335666448 MIGIOXQUCIDMNT-JTQLQIEISA-N 302.400 -0.293 30 20 DBED N#C[C@]1(F)CCN(C(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C1 1345571035 MFRUXWZFMODXPV-YWPYICTPSA-N 324.356 -0.570 30 20 DBED C=C[C@H](CO)NC(=O)C(=O)Nc1cnn(C(C)(C)C(=O)OC)c1 1347036869 CZOMEOOUMHUZAJ-SECBINFHSA-N 324.337 -0.607 30 20 DBED O=C1C=CC=N/C1=C(/O)NCCNC[C@@H](O)CN1CCCC1 1348446942 MGGYFXXYHDGDAQ-XROPSADXSA-N 308.382 -0.441 30 20 DBED C=C(CC)CNC(=O)C(=O)N1CCC[C@H](S(=O)(=O)NC)C1 1348781617 YZIFFAWOOJNKNC-NSHDSACASA-N 317.411 -0.391 30 20 DBED CC(C)(CCCO)CNC(=O)Cn1cc(C#N)c(O)nc1=O 1362384300 SKXZGVUXBXDCOM-UHFFFAOYSA-N 308.338 -0.265 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CCN(C(=O)CCn2cnnn2)C1 1372089050 PDWHCDLZCNURGQ-QWRGUYRKSA-N 305.342 -0.718 30 20 DBED CCN(C)CCC(=O)NCCN1CCN(C(=O)[C@H](C)C#N)CC1 1372222986 YKAKCWVTZMNDHQ-CQSZACIVSA-N 323.441 -0.252 30 20 DBED CC[C@H](CNC(=O)CCCS(C)(=O)=O)NC(=O)[C@H](C)C#N 1375148671 ZVQKYSKDHDVJAF-GHMZBOCLSA-N 317.411 -0.018 30 20 DBED C=C(Cl)CN1CCC[C@H]1CNC(=O)CS(=O)(=O)NC 1399895079 KGPQNAHVESABFZ-JTQLQIEISA-N 309.819 -0.131 30 20 DBED N#Cc1c[nH]c(C(=O)NCC2(O)CN(Cc3cnns3)C2)c1 1407398013 SJCVVIPPNNJJPF-UHFFFAOYSA-N 318.362 -0.285 30 20 DBED C[C@H](C#N)C(=O)N(C)C[C@@H]1CCN(C(=O)CN2CCOCC2)C1 1408990513 ZTDUHQOJHUWKDU-KGLIPLIRSA-N 322.409 -0.215 30 20 DBED CO[C@@H]1CCCC[C@H]1NC(=O)Cn1cc(C#N)c(O)nc1=O 1418338706 KYXFIORMYJWWGV-GHMZBOCLSA-N 306.322 -0.106 30 20 DBED CNC(=O)N[C@H]1CCCN(S(=O)(=O)N(C)CCC#N)C1 1424666814 NQXJWXMEFUVQBQ-JTQLQIEISA-N 303.388 -0.530 30 20 DBED CNC(=O)NCC(=O)N1[C@H]2CC[C@H]1CN(C(=O)[C@H](C)C#N)C2 1428045963 OIBSIEQAEQYVNR-VWYCJHECSA-N 307.354 -0.723 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)c2cccc(=O)n2C)C1 1430178606 JYULEYMDGOWJSR-DCAQKATOSA-N 302.334 -0.078 30 20 DBED CC(C)[C@H](CNC(=O)c1cc(=O)n(C)cn1)NC(=O)[C@H](C)C#N 1431270377 QOLMFRLXWZSLLC-PWSUYJOCSA-N 319.365 -0.189 30 20 DBED C[C@@H]1CCN(CCNC(=O)Cn2cc(C#N)c(O)nc2=O)C1 1433738413 PUOYIBYIYWLVDA-SNVBAGLBSA-N 305.338 -0.721 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)N2CC[C@H](O)[C@@H](CO)C2)cc1 1434098978 LVMBECWXNCEAKM-KGLIPLIRSA-N 317.345 -0.510 30 20 DBED CCC(=O)NCC(=O)NC[C@H](O)CNCc1ccccc1C#N 1438988269 YJEBEIPOUAZKBS-CQSZACIVSA-N 318.377 -0.349 30 20 DBED CC(C)c1nnnn1CC(=O)N(C)C[C@H](C)NC(=O)[C@H](C)C#N 1443827004 AWBPLWUFWWIGQF-MNOVXSKESA-N 321.385 -0.081 30 20 DBED CN1C[C@H]2CN(C(=O)CCn3cc(C#N)c(O)nc3=O)C[C@H]2C1 1448723538 DLKLFLIEVJXBGS-TXEJJXNPSA-N 317.349 -0.769 30 20 DBED CCOC(=O)CN(C(=O)Cn1cc(C#N)c(O)nc1=O)C1CC1 1464502106 KDUXQWZHIDMZOY-UHFFFAOYSA-N 320.305 -0.625 30 20 DBED CC(=O)N1CC[C@@H](CN(C)c2[nH]c(=O)n(C)c(=O)c2C#N)C1 1472731707 OEIFZZQWCDIVIU-JTQLQIEISA-N 305.338 -0.750 30 20 DBED C=C(Cl)CN1CCOC[C@@H]1CNC(=O)[C@H](C)NC(N)=O 1501773380 QRDJSGIUYMNVFI-UWVGGRQHSA-N 304.778 -0.387 30 20 DBED CNC(=O)CN[C@H](C)[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCO1 1506829925 BETQJVGQSZCZJH-ZWNOBZJWSA-N 319.365 -0.549 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CN(C)C(=O)CCc1cncnc1 1511570838 RXHMGWIZOWNVQL-AAEUAGOBSA-N 319.365 -0.496 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)c2ccn(C)c(=O)c2)CC1 1535594874 SQGPQIGJGWJRTR-SNVBAGLBSA-N 302.334 -0.076 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNc1ccc(-c2nn[nH]n2)nc1 1573576564 HNYCXXXDEFCTHH-PSASIEDQSA-N 316.325 -0.690 30 20 DBED C=CC1(CC(=O)N2CCCN(CC(=O)NCC)CC2)CNC1 1574880622 PZXSZTZVIXSYBY-UHFFFAOYSA-N 308.426 -0.178 30 20 DBED CNC(=O)[C@H]1CCC[C@H]1Nc1cnc(-c2nn[nH]n2)c(C#N)n1 1579387042 SQTWYDXCWWIRJM-JGVFFNPUSA-N 313.325 -0.145 30 20 DBED C#CCCN1CCC(NC(=O)c2cn(CC(=O)O)nn2)CC1 1588390743 GGUFUXLXOHLIHV-UHFFFAOYSA-N 305.338 -0.420 30 20 DBED C=CCS(=O)(=O)CCNc1cc(-c2nn[nH]n2)nc(C)n1 1588689080 YACORAFSTQEWMB-UHFFFAOYSA-N 309.355 -0.022 30 20 DBED CC(C)C[C@@H](NC(=O)CCn1cc(C#N)c(O)nc1=O)C(=O)O 1588883108 PPSUCQUEOVDLHJ-SNVBAGLBSA-N 322.321 -0.174 30 20 DBED C[C@H](CC#N)C(=O)NS(=O)(=O)N1CCC(C(=O)O)CC1 1592211390 LKISUVZWRCIJMX-MRVPVSSYSA-N 303.340 -0.306 30 20 DBED C#CC[C@@H](NC(=O)c1cn(C)c2c(cnn2C)c1=O)C(=O)O 1602693042 DMNUHIAFXLKWRS-SNVBAGLBSA-N 302.290 -0.522 30 20 DBED CN(CC(=O)Nc1cnn(CC#N)c1)[C@@H]1CCS(=O)(=O)C1 1645725647 YRCXEYVADAMVFC-LLVKDONJSA-N 311.367 -0.536 30 20 DBED C[C@H](CC#N)N(C)CC(=O)NC1CCN(S(C)(=O)=O)CC1 1646127419 RMPZMUBORYQZLN-LLVKDONJSA-N 316.427 -0.239 30 20 DBED C#CCNC(=O)CNC[C@@H]1CCCCN1C(=O)CNC(=O)CC 1700346212 YZNKLVZKNYMXKO-ZDUSSCGKSA-N 322.409 -0.767 30 20 DBED CC#CCNCC1(NC(=O)CN(C)S(C)(=O)=O)CCCC1 1753504494 ULGNNQCAWSFFKZ-UHFFFAOYSA-N 315.439 -0.080 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NC/C=C\CN[C@@H]1CCNC1=O 1754179322 FNVAGMKSTSXSDM-VSVUCHCSSA-N 322.409 -0.392 30 20 DBED C=CCNC(=O)CNC[C@H](C)NC(=O)c1cc(C(N)=O)ccn1 1754296918 FPWSZZYEQLEPMT-JTQLQIEISA-N 319.365 -0.809 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)C[C@@H](C)NC(=O)CCn1cncn1 1754302196 CJXFOSFKOUZKHN-CHWSQXEVSA-N 320.397 -0.757 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCN(C)C(=O)CN1CCCC1 1754412902 BSKMRQFDRFXELE-CQSZACIVSA-N 308.426 -0.342 30 20 DBED COCC#CCN1CC[C@H]1CNC(=O)[C@@H]1CCNC(=O)CC1 1754503557 WOPXBXPFBROARF-KBPBESRZSA-N 307.394 -0.257 30 20 DBED C=CCNC(=O)[C@H](C)NC[C@@H]1CCCN1C(=O)c1cnon1 1754618278 AQKZLKIOWIXEGO-QWRGUYRKSA-N 307.354 -0.046 30 20 DBED CC1(C)C[C@@H]1C(=O)NC[C@]1(O)CCN(CC(=O)NCC#N)C1 1754748424 INIMFWVBRKRURV-IAQYHMDHSA-N 308.382 -0.775 30 20 DBED C=CCCN1CCOC[C@@H]1CNC(=O)CCS(=O)(=O)NC 1754968040 WDCBAOLVSWBDMO-LBPRGKRZSA-N 319.427 -0.681 30 20 DBED C=CCN(C)[C@@H](C)CNC(=O)Cn1[nH]cc2c(=O)ncnc1-2 1755318195 PCUHIKFEARMKSA-JTQLQIEISA-N 304.354 -0.306 30 20 DBED C=CCN1CCCCC[C@H]1CNC(=O)CNS(=O)(=O)NC 1755366620 UTAKSDZGNUOOCI-LBPRGKRZSA-N 318.443 -0.413 30 20 DBED C=CCN[C@@H](C)[C@@H]1CN(C(=O)CCNC(=O)COC)CCO1 1755442965 ZDMMRQOWHRPQQC-STQMWFEESA-N 313.398 -0.469 30 20 DBED CCC1(C(=O)NC[C@H](CO)NCC(=O)NCC#N)CCCC1 1755643667 QLVUZTFGHCMBDH-GFCCVEGCSA-N 310.398 -0.337 30 20 DBED C#CCNC(=O)CN[C@@H]1C[C@@H](C)N(C(=O)c2coc(OC)n2)C1 1755682911 ANZHDWBFDFHZOJ-GHMZBOCLSA-N 320.349 -0.375 30 20 DBED CO[C@@H](C(=O)N1C[C@H](NCC(=O)NCC#N)C(C)(C)C1)C1CC1 1755754969 FPPZJAKKKMWHQY-GXTWGEPZSA-N 322.409 -0.122 30 20 DBED Cc1cc(C(=O)N(C)C[C@H](O)CNCC(=O)NCC#N)oc1C 1755777991 PLXZEQXJCVWBTA-GFCCVEGCSA-N 322.365 -0.441 30 20 DBED Cc1cn2ccnc(C(=O)N(C)C[C@@H](O)CNCC#N)c2n1 1755791928 QUXFEFVTWVJOHI-NSHDSACASA-N 302.338 -0.416 30 20 DBED C=CCOCCNC1CC(N(C)C(=O)Cn2ncn(C)c2=O)C1 1755858890 WIQGVGBCASNFMU-UHFFFAOYSA-N 323.397 -0.637 30 20 DBED C=CCCOCC(=O)N1CC(CCO)(NC(=O)C(F)F)C1 1756073174 HNRALYAURZLCJJ-UHFFFAOYSA-N 306.309 -0.076 30 20 DBED C#CCOCCC(=O)N[C@H](C)CN(C)C(=O)[C@@H]1COC(=O)N1 1756448551 VLOYRTVQSBRDIP-MNOVXSKESA-N 311.338 -0.902 30 20 DBED C#CCNC(=O)CC(=O)N(CC)[C@H](C)CNC(=O)C#CC1CC1 1756853391 TZHRZZWIFXFDGJ-CYBMUJFWSA-N 317.389 -0.108 30 20 DBED C=CCCn1cc(CNCCN2C[C@H](C(=O)O)CC2=O)nn1 1776176000 NTVJEIKNKFWFEI-LLVKDONJSA-N 307.354 -0.123 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)C(=O)c1ccco1)CCO2 1783046482 KANRVVVEKDWFCK-INIZCTEOSA-N 316.313 -0.075 30 20 DBED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cncnc3)[C@H]2C1 1786115093 IUFCGAQXPJISGI-UBHSHLNASA-N 314.345 -0.297 30 20 DBED C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H]1CCCS1(=O)=O)C2 1801601736 XZHGBTRECRLJTR-YVECIDJPSA-N 324.402 -0.165 30 20 DBED C[C@@](O)(CNS(=O)(=O)c1cccc(F)c1C#N)C(=O)O 90277019 ALBMVIVHIKDXGA-LLVKDONJSA-N 302.283 -0.189 30 20 DBED COc1c(CNc2c(C#N)c(=O)n(C)c(=O)n2C)c(C)nn1C 161760294 IUHXBXRUZVLSGY-UHFFFAOYSA-N 318.337 -0.382 30 20 DBED C/N=C(/NCCN1CCCS1(=O)=O)NCc1ccoc1 176331254 VROPEAXQLDKJES-UHFFFAOYSA-N 300.384 -0.020 30 20 DBED N#CCCNC(=O)COC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O 212482491 AGYCHENJZTYXGG-GHMZBOCLSA-N 321.333 -0.265 30 20 DBED C/N=C(/NC[C@@H]1CN2CCN1CC2)N1CCN(CC(C)C)CC1 262805381 SMTFEWZLBNXVEH-MRXNPFEDSA-N 322.501 -0.165 30 20 DBED C#CCNC(=O)c1ccc(N2CCN(CC(N)=O)CC2)nc1 264818016 CIFPBJWKJOOYCB-UHFFFAOYSA-N 301.350 -0.948 30 20 DBED CN1CC[C@@H](N(C)CCS(=O)(=O)c2ccc(C#N)cn2)C1=O 290350168 QBQNYGVRZBNLDE-GFCCVEGCSA-N 322.390 -0.111 30 20 DBED Cn1c(NC[C@@H]2CC(=O)N(C3CC3)C2)c(C#N)c(=O)n(C)c1=O 329560592 RGASNWOWJFUHHA-VIFPVBQESA-N 317.349 -0.622 30 20 DBED CN(C)CC(C)(C)CNS(=O)(=O)N1CCO[C@@H](C#N)C1 336882157 BTAJVSTVNYWVBP-NSHDSACASA-N 304.416 -0.367 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N1CCS(=O)(=O)C[C@@H]1C 337076135 SEYNTZVLKLNJPY-ZJUUUORDSA-N 309.413 -0.558 30 20 DBED CO[C@]1(C)CCCN(S(=O)(=O)N2CCO[C@H](C#N)C2)C1 337192025 SXLQUZYYDNXQNQ-VXGBXAGGSA-N 303.384 -0.044 30 20 DBED Cc1cccc(S(=O)(=O)N2CCC(O)(C(N)=O)CC2)c1C#N 340050858 BVHKEEINUWDGTG-UHFFFAOYSA-N 323.374 -0.132 30 20 DBED N#Cc1cc(C(=O)NCC(=O)NCCN2CCOCC2)c[nH]1 352443431 KMNJDGYCGJJVFQ-UHFFFAOYSA-N 305.338 -0.935 30 20 DBED C=C[C@H](CO)NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 356862292 PQIRAPCSVZFOKO-SECBINFHSA-N 321.289 -0.017 30 20 DBED C=C[C@H](CO)NC(=O)N[C@H]1CCCN(S(=O)(=O)C2CC2)C1 359573259 UZGUMPHFISXIDF-MNOVXSKESA-N 317.411 -0.211 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N1C[C@@H](C)O[C@@H](C(N)=O)C1 374461631 YJPFYAKSPYUTIA-HBNTYKKESA-N 318.399 -0.713 30 20 DBED CC[C@@H](C#N)NC(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 475691702 XFVHDGNOMDDTOX-GVFGIDLGSA-N 305.334 -0.043 30 20 DBED COc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1CCC(=O)NC1 490302455 UPUFIECTLPQEJS-JTQLQIEISA-N 316.317 -0.100 30 20 DBED C#CCN1CCN(C(=O)CN2CCCN(CC)C(=O)C2)CC1 490714071 NHNUMUJMHOUYKL-UHFFFAOYSA-N 306.410 -0.682 30 20 DBED C#CCNC(=O)C1CCN(CC(=O)N(C)CC(=O)OCC)CC1 491787066 XFEHJBATRULXPW-UHFFFAOYSA-N 323.393 -0.531 30 20 DBED COC(=O)N1CCN(C(=O)NCCn2cnc(C#N)n2)CC1 496284445 OOLBOMQUSJAAEP-UHFFFAOYSA-N 307.314 -0.757 30 20 DBED Cn1c(N2CCC(n3ccnn3)CC2)c(C#N)c(=O)n(C)c1=O 538862304 KKXUNUDNKFWJAI-UHFFFAOYSA-N 315.337 -0.611 30 20 DBED CN1C[C@@H](NC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)C(=O)N1 590708595 MWQTUHNNOHSEOI-ZIAGYGMSSA-N 313.361 -0.012 30 20 DBED CS(=O)(=O)N1CCN(CCNc2cncc(C#N)n2)CC1 591901027 QGSIWFCLNZGURS-UHFFFAOYSA-N 310.383 -0.663 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)NCc1nnn(C(C)(C)C)n1 594476334 MGSQUGUXKZVZNW-VIFPVBQESA-N 315.403 -0.146 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)CCCn2cccn2)CC1 728531472 FGLOJNLLVKICNS-UHFFFAOYSA-N 317.393 -0.443 30 20 DBED COC(=O)[C@H]1C[C@@H]1C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[nH]1 736907001 BHUOCILIWQSNQW-WHFBIAKZSA-N 302.254 -0.791 30 20 DBED CCC1(CC)NC(=O)N(CC(=O)N(CC#N)CC(=O)O)C1=O 736932712 VGEDIXDQRDCKAM-UHFFFAOYSA-N 310.310 -0.466 30 20 DBED CNC(=O)CNC(=S)NN=C(COC)C1CCOCC1 780225915 ZUESOGHVRWDADF-UHFFFAOYSA-N 302.400 -0.375 30 20 DBED Cn1cnn(CN2CC[C@H](Oc3ccc(C#N)cn3)C2)c1=O 793591788 QASWQTBHGXCZLS-LBPRGKRZSA-N 300.322 -0.041 30 20 DBED N#Cc1ncn(CCNCc2ccc(OCC(N)=O)cc2)n1 796497640 MUHGTVMPPRAWOJ-UHFFFAOYSA-N 300.322 -0.196 30 20 DBED C#Cc1ccccc1CC(=O)OCC(=O)N1CCNC(=O)C1 811257872 RAUBXQFQMHEUQY-UHFFFAOYSA-N 300.314 -0.288 30 20 DBED C#C[C@@H](C)NC(=O)N(CC)CC(=O)N[C@@H]1CCS(=O)(=O)C1 812902000 CRZRTIAJXWMTJW-GHMZBOCLSA-N 315.395 -0.657 30 20 DBED C[C@@H](C#N)OCCOC(=O)[C@H]1CCCN(S(N)(=O)=O)C1 815261268 AGWKRCXEXUXKPG-UWVGGRQHSA-N 305.356 -0.626 30 20 DBED N#C[C@H]1CNC[C@H]1NC(=O)c1cccnc1N1CCOCC1 834484667 LMFIOIVIBKXIPK-WCQYABFASA-N 301.350 -0.240 30 20 DBED O=C1[C@@H](NC(=O)C2(n3cnnn3)CCCCC2)CCCN1O 848130539 LQEQOPMUBIABOC-JTQLQIEISA-N 308.342 -0.171 30 20 DBED N#Cc1c(F)cccc1S(=O)(=O)N[C@@]1(C(N)=O)CCOC1 848502702 WTRKDYZCKHHQLJ-LBPRGKRZSA-N 313.310 -0.380 30 20 DBED C#CC[C@@H](CCOC)NC(=O)N1CCN(C(=O)COC)CC1 859027086 XTCCAABCBRSPDX-ZDUSSCGKSA-N 311.382 -0.085 30 20 DBED C#CC1(O)CN(C(=O)CCN2C(=O)[C@H]3CCCC[C@H]3C2=O)C1 890520383 WSVJXCUBWKEVPH-TXEJJXNPSA-N 304.346 -0.242 30 20 DBED NS(=O)(=O)c1ccc(NN=C2CCS(=O)(=O)C2)nc1 914697561 REWRRUKSXSJKKW-UHFFFAOYSA-N 304.353 -0.685 30 20 DBED C#CC[C@@H](CO)NC(=O)NC[C@H](C)CN1CCN(CC)CC1 920462819 WLCCTUNVCUGNRM-GJZGRUSLSA-N 310.442 -0.057 30 20 DBED CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NCC#CCO 923779159 MFAZLRBJLZXEKF-ZDUSSCGKSA-N 310.398 -0.776 30 20 DBED CC(=O)N1CC(C(=O)NC2CCN(C(=O)[C@H](C)C#N)CC2)C1 948099469 UHFUYNKFAUUGRD-SNVBAGLBSA-N 306.366 -0.268 30 20 DBED C=C(C)CN1CCOC2(CCN(C(=O)Cn3cnnn3)CC2)C1 949291445 DXCYKLWAVHYOAZ-UHFFFAOYSA-N 320.397 -0.057 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H](NC(=O)Cn2cnnc2O)C1 951868078 PGCGLVJSCKNHFY-VHSXEESVSA-N 306.326 -0.749 30 20 DBED CN(C(=O)c1c[nH]c(C#N)c1)C1CN(C(=O)c2nnn(C)n2)C1 954105620 OZXZDNNFFRNWFP-UHFFFAOYSA-N 314.309 -0.994 30 20 DBED C[C@@H]1C[C@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)CC(N)=O 955594518 NLUYBGFYXQTQHI-NXEZZACHSA-N 317.349 -0.129 30 20 DBED C[C@@]1(NC(=O)[C@H]2CCC(=O)N2)CCN(C(=O)C#CC2CC2)C1 956771611 WMRPXPKIDFLSHQ-MLGOLLRUSA-N 303.362 -0.214 30 20 DBED C#CCCN1C[C@H](O)[C@H](CNC(=O)c2cc(=O)c(OC)co2)C1 958262089 GQUOPWTVWVLUPS-YPMHNXCESA-N 320.345 -0.306 30 20 DBED CC#CCN1C[C@@H](O)[C@@H](CNC(=O)c2nc3ncccn3n2)C1 958506397 DMSOOSVZCUJQEM-NWDGAFQWSA-N 314.349 -0.830 30 20 DBED Cc1cc(C(=O)N(C)[C@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)ncn1 958824966 ORJPLPSQNBAOGB-ICCXJUOJSA-N 317.349 -0.412 30 20 DBED CC#CCN1C[C@H]2C(NC(=O)[C@H](C)N3C(=O)CCC3=O)[C@@H]2C1 960165475 KIZOQUBPDMUOGI-QJPTWQEYSA-N 303.362 -0.406 30 20 DBED COc1ccc2ncc(C(=O)NC3[C@H]4CN(CC#N)C[C@H]34)n2n1 960648835 ASMNSNDRDJXWSX-UWVGGRQHSA-N 312.333 -0.079 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cnco1 960673038 HKDOCCVBJDYHNW-JBLDHEPKSA-N 304.306 -0.114 30 20 DBED Cn1cc(C(=O)N2C[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]3C2)nn1 961507323 NTJBGMNMWYKMOZ-BETUJISGSA-N 313.361 -0.241 30 20 DBED C[C@H](C#N)C(=O)N1CCC2(CC1)C[C@H]2NC(=O)Cn1cnnn1 962968246 IHUQEVCPDSHYCL-GHMZBOCLSA-N 317.353 -0.670 30 20 DBED O=C(C#CC1CC1)N1CCOC2(C1)CN(C(=O)c1nc[nH]n1)C2 965372824 DMRGWBMQYFCTKU-UHFFFAOYSA-N 315.333 -0.729 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(C[C@@H](NC(=O)c3cc[nH]n3)CO2)C1 965633712 AMFFPBGAZKKSNV-VHSXEESVSA-N 303.322 -0.331 30 20 DBED C#CCN1CC[C@@H](C)[C@H](NC(=O)CN2CCN(C)C(=O)C2)C1 967027394 AVHNKQIZJSYZEX-ZIAGYGMSSA-N 306.410 -0.780 30 20 DBED C=C(Cl)CN[C@@H]1CCN(C(=O)Cn2ccc(O)nc2=O)C1 969232219 BSEAFVGCSKIMGZ-SNVBAGLBSA-N 312.757 -0.108 30 20 DBED NC(=O)[C@@H]1C[C@@H]1C(=O)N1[C@H]2CC[C@H]1CN(C(=O)C#CC1CC1)C2 970018652 SCBPFDSTMLLYEJ-FQUUOJAGSA-N 315.373 -0.277 30 20 DBED C#Cc1ccc(C(=O)N2C[C@H]3[C@H](NC(=O)c4cnon4)[C@H]3C2)cn1 977030261 HPESZMWVTZJJCH-IMRBUKKESA-N 323.312 -0.054 30 20 DBED N#Cc1ccc(C(=O)NC2CN(C(=O)c3c[nH]c(=O)cn3)C2)[nH]1 990887214 JFHPSQRAHUTJFA-UHFFFAOYSA-N 312.289 -0.776 30 20 DBED COC(=O)[C@H]1C[C@H]1C(=O)N1CC(NC(=O)c2c[nH]c(C#N)c2)C1 990921606 XCDQAAUINYRINL-NEPJUHHUSA-N 316.317 -0.364 30 20 DBED C#CCN1CC[C@]2(NC(=O)Cn3ccc(O)nc3=O)CCC[C@@H]12 991650582 BNTGHJYRXBAZAQ-MLGOLLRUSA-N 316.361 -0.305 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)c2cnn(CCN(C)C)c2)C1 992014370 CDLXKYKJFBHEIC-NSHDSACASA-N 318.381 -0.455 30 20 DBED C#CCCN1CCC[C@H](NC(=O)CN2CCNC(=O)C2)[C@@H]1C 993702515 PJVUWHJHEWNMLE-KBPBESRZSA-N 306.410 -0.589 30 20 DBED C#CCN[C@H]1CN(C(=O)CN2CC(=O)N(C)C2=O)CC1(C)C 996511785 LIPDSNGDUWGFQB-NSHDSACASA-N 306.366 -0.660 30 20 DBED CC1(C)CN(C(=O)c2cc(=O)n3[nH]cnc3n2)C[C@@H]1NCC#N 996520023 RGZUPZNEUOPMLY-JTQLQIEISA-N 315.337 -0.619 30 20 DBED CN(C[C@@H]1CCCN1C(=O)C#CC1CC1)C(=O)[C@H]1CCNC1=O 1002484532 BJGKKPZBTOTKIN-KBPBESRZSA-N 317.389 -0.015 30 20 DBED CC#CCN1CCC(N(C)C(=O)CN2CCNC(=O)C2)CC1 1005814845 JDKMHERPDLXWJQ-UHFFFAOYSA-N 306.410 -0.636 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@]12CCC[C@H]1CN(C(=O)C(N)=O)C2 1008390234 SHYVIKMHVVPIQT-BUWBCJGYSA-N 321.377 -0.440 30 20 DBED C#Cc1ccc(C(=O)N2CCN(C(=O)c3cnnn3C)CC2)cn1 1011074912 PSWMXSUGOHTYTR-UHFFFAOYSA-N 324.344 -0.210 30 20 DBED C=C1CC(C)(C(=O)N2C[C@@H]3C(NC(=O)Cn4cnnn4)[C@H]3C2)C1 1012756408 XTXXRJRBSGKWSC-QWRGUYRKSA-N 316.365 -0.398 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H](N[C@@H]3CCN(C)C3=O)C2)nn1 1019482284 OBBRSEYIXNCAMJ-NWDGAFQWSA-N 318.381 -0.501 30 20 DBED C[C@H]1[C@@H](NC(=O)[C@@H]2CCCN2C(N)=O)CCN1C(=O)[C@H](C)C#N 1020537397 SOLXPIOLVGOAFZ-RHYQMDGZSA-N 321.381 -0.205 30 20 DBED N#CCN1CCC[C@H](CNC(=O)c2cc(=O)n3[nH]cnc3n2)C1 1023699665 HJGXPIMDAOWCGW-SNVBAGLBSA-N 315.337 -0.617 30 20 DBED C[C@H](NC(=O)c1nnc(O)nc1O)[C@@H]1CCCN(CC#N)C1 1025473742 HFCCOHLKNQZDPM-DTWKUNHWSA-N 306.326 -0.363 30 20 DBED C#CCCN1CCC[C@@H]1CNC(=O)[C@H]1COCCN1C(C)=O 1028325297 CPBSKHUOMXDMBM-HUUCEWRRSA-N 307.394 -0.162 30 20 DBED C=CCN1CC[C@H](CNC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 1028705932 BJTBZHNMQPRRTJ-YPMHNXCESA-N 303.366 -0.010 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCCN([C@H](C)C(=O)NC)C1 1030024736 QXUWOULZFDMJDN-KFWWJZLASA-N 320.437 -0.201 30 20 DBED CC#CCN1CC[C@H](N(C)C(=O)[C@H]2COCCN2C(C)=O)C1 1033677330 ZZGRUISJWZCYQV-LSDHHAIUSA-N 307.394 -0.210 30 20 DBED C#CCN1CCCC[C@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)C1 1034471362 HRXJFODWAZOYMF-LBPRGKRZSA-N 320.393 -0.079 30 20 DBED C#Cc1cncc(C(=O)NC[C@H]2CN([C@@H](C)C(N)=O)CCO2)c1 1035505436 JQISRHRSIFMHDG-FZMZJTMJSA-N 316.361 -0.633 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2CN(C[C@H](C)O)CCO2)cn1 1035586540 QXZQKBQPJQCYGC-SWLSCSKDSA-N 303.362 -0.126 30 20 DBED C#CCN1CCO[C@H](CNC(=O)[C@@H]2CCc3c[nH]nc3C2)C1 1035611081 QQKFEUDSNBPQNU-TZMCWYRMSA-N 302.378 -0.035 30 20 DBED C[C@@H]1CN(C(=O)CN2CCCS2(=O)=O)CC[C@@H]1NCC#N 1036051334 CFTSQXCTWINVIG-NEPJUHHUSA-N 314.411 -0.628 30 20 DBED CN(C)C(=O)CN1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1cc(C#N)c[nH]1 1037353469 KGYIKEJWWYDEOH-SCDSUCTJSA-N 301.350 -0.223 30 20 DBED C#CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1cccc(OCC(N)=O)c1 1037435456 POTZENKTKXOYQF-IVMMDQJWSA-N 313.357 -0.014 30 20 DBED C=CCN1CC[C@@H](N2CC[C@@H]2CNC(=O)c2cnn(C)n2)C1=O 1038804654 NQPCAMNBTKFIIP-DGCLKSJQSA-N 318.381 -0.594 30 20 DBED C[C@@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)c2ccc(C#N)[nH]2)C1 1040763055 NHGFQJDYZYMYCG-ZUZCIYMTSA-N 315.333 -0.261 30 20 DBED Cc1cn(C)nc1C(=O)N1CC[C@@](O)(CNC(=O)[C@@H](C)C#N)C1 1040764248 VDLINQNOHSSQKT-ZUZCIYMTSA-N 319.365 -0.419 30 20 DBED N#Cc1nccc(N2C[C@@H](O)[C@H](NC(=O)c3ccncc3)C2)n1 1040909130 BHDGJCFFKVGGMT-VXGBXAGGSA-N 310.317 -0.277 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)Cc3cncnc3)C2)nc1 1041000030 RJXYOWQCOAGLTG-ZIAGYGMSSA-N 324.344 -0.348 30 20 DBED C=CCCOCC(=O)N1CC(O)(CNC(=O)[C@H](C)OC)C1 1041773797 WGNUKOKRVIRVJF-NSHDSACASA-N 300.355 -0.697 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)CCn2cccc2)C1 1042047131 JSAWBYYNLIWENQ-UHFFFAOYSA-N 321.377 -0.230 30 20 DBED C=CCOCCCC(=O)NCC1(O)CN(C(=O)COC)C1 1042307476 VBCXBZPGHMTWGL-UHFFFAOYSA-N 300.355 -0.695 30 20 DBED CC#CCN1CC[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)C[C@H]21 1042345212 JPYPXZKOTIYBQE-CHWSQXEVSA-N 318.377 -0.516 30 20 DBED C=C(C)C(C)(C)C(=O)N1CC(O)(CNC(=O)c2cn(C)nn2)C1 1042885435 MVETXGZQIJOFFD-UHFFFAOYSA-N 321.381 -0.280 30 20 DBED CCCc1n[nH]cc1C(=O)N1CC(O)(CNC(=O)[C@@H](C)C#N)C1 1045565477 YENNNBOLYGULKK-JTQLQIEISA-N 319.365 -0.175 30 20 DBED C#CCN1CC[C@@](C)(NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 1046521669 KQEPSDPHJFJBMP-CQSZACIVSA-N 314.353 -0.479 30 20 DBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)[C@H]1CN(CCO)C[C@@H]1O 1047557369 SPQSEAQIDOZOON-AJNGGQMLSA-N 312.410 -0.147 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2ncc3n2CCCC3)C1 1047635591 YIHXXJXBTFQDOG-KBPBESRZSA-N 302.378 -0.030 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3nnc(C)n3C2)C1 1047638553 YATSOYWRSSSGIG-RDBSUJKOSA-N 317.393 -0.714 30 20 DBED C=CCOCC(=O)N(C)[C@H]1CN(C(=O)C2=CCOCC2)C[C@@H]1O 1048554660 CIWJCNGJUGBXJG-KBPBESRZSA-N 324.377 -0.434 30 20 DBED C#CCN1C[C@H]2CN(C(=O)[C@H]3CCCCS3(=O)=O)C[C@H]2C1 1048858650 QDWXJODJLFJLRG-HZSPNIEDSA-N 310.419 -0.023 30 20 DBED C=CCOCC(=O)N1CC[C@@H]([C@@H](C)NC(=O)c2nc[nH]n2)C1 1050297904 QASMVRWUZRQRFG-GHMZBOCLSA-N 307.354 -0.026 30 20 DBED C[C@@H](NC(=O)CC(N)=O)[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 1050497492 BQFOTYLBITWXAV-NXEZZACHSA-N 317.349 -0.271 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)c1nnc(O)nc1O)C2 1050581216 GDRHQJULKQKOSL-UHFFFAOYSA-N 303.322 -0.546 30 20 DBED C#CCCN1CCC2(CC1)CN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)C2 1050663554 SFBYUXFQESNEKX-UONOGXRCSA-N 319.405 -0.033 30 20 DBED C[C@H](NC(=O)Cn1cnnn1)[C@@H]1CCN(C(=O)C#CC2CC2)C1 1050667100 VYKHPDPBAUGKSB-WCQYABFASA-N 316.365 -0.560 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(C(=O)c2cnon2)C[C@@H]1C 1053238786 BOTVQYSBZMGINS-NWDGAFQWSA-N 320.349 -0.066 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)c3cc[n+]([O-])cc3)CO2)C1 1053724258 FEOGHMMSMFBZQC-AWEZNQCLSA-N 301.346 -0.084 30 20 DBED C=CCN1CC2(C[C@@H](NC(=O)[C@H]3CCCN(C(N)=O)C3)CO2)C1 1053864452 AMBDDCLRFSCKGE-QWHCGFSZSA-N 322.409 -0.077 30 20 DBED C[C@H](C#N)C(=O)NCCN1CCC(NC(=O)c2ncc[nH]2)CC1 1055629843 LXNGAIKZJYKQHK-LLVKDONJSA-N 318.381 -0.120 30 20 DBED C#CCOCCC(=O)N[C@]1(CO)CCCN(C(=O)COC)C1 1055945251 HQFDDROUALBRKH-OAHLLOKOSA-N 312.366 -0.858 30 20 DBED C[C@@H](C#N)C(=O)N[C@@]1(CO)CCCN(C(=O)c2cnon2)C1 1056097990 YBBMDBSFVVATMA-ZANVPECISA-N 307.310 -0.687 30 20 DBED N#Cc1nccnc1N1C[C@@H]2C(NC(=O)c3cncnc3O)[C@H]2C1 1056330374 OXCQWTIFFJBFAI-UWVGGRQHSA-N 323.316 -0.292 30 20 DBED C#CCO[C@H](C)C(=O)N(CCO)CCNC(=O)c1ccon1 1057582981 DMLPIQSHDFKEPX-LLVKDONJSA-N 309.322 -0.736 30 20 DBED CCc1nc(C#N)cc(N[C@@H]2CCCN(C(=O)C(N)=O)C2)n1 1057743946 QDADZRHMBJJNQV-SECBINFHSA-N 302.338 -0.201 30 20 DBED C=CC(C)(C)C(=O)N(CCO)CCNC(=O)Cn1cncn1 1058303608 DELXNCBPYIJEJF-UHFFFAOYSA-N 309.370 -0.573 30 20 DBED C=CCCCC(=O)N(CCO)CCNC(=O)CCNC(N)=O 1058623284 MYYGENGZIPVXFA-UHFFFAOYSA-N 314.386 -0.662 30 20 DBED Cc1ncc(C(=O)NCCN(CCO)C(=O)[C@H](C)C#N)n1C 1058663413 RQTAFMDDOMBDBS-SNVBAGLBSA-N 307.354 -0.561 30 20 DBED N#Cc1nccnc1N[C@H]1C[C@H](NC(=O)[C@H]2COC(=O)N2)C1 1059212228 XTYCYVAQMHIBEW-NQMVMOMDSA-N 302.294 -0.484 30 20 DBED N#Cc1nccnc1N[C@H]1C[C@@H](NC(=O)[C@@H]2CCCNC2=O)C1 1059740030 DIWWJLYCOLCFCX-OUAUKWLOSA-N 314.349 -0.066 30 20 DBED N#CCSCC(=O)N1CCC2(CC1)CN(C(=O)CC(N)=O)C2 1060958543 TWTZDIILYAQJCC-UHFFFAOYSA-N 324.406 -0.430 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC2(CCN(C(=O)C(N)=O)CC2)C1 1060990039 TYSNBACFWKWHKE-CQSZACIVSA-N 309.366 -0.750 30 20 DBED CCC(=O)NCC(=O)NC[C@H]1COCCN1C(=O)[C@H](C)C#N 1061430113 XYRFUWBYCZCSAK-MNOVXSKESA-N 310.354 -0.984 30 20 DBED C=C1CCC(C(=O)N2CCOC[C@H]2CNC(=O)CC(N)=O)CC1 1061453345 SXBUXICLQWCQHF-CYBMUJFWSA-N 323.393 -0.048 30 20 DBED C#CCOCCC(=O)NC[C@H]1COCCN1C(=O)c1ncc[nH]1 1061581246 NORAVPBOHXOHMZ-LBPRGKRZSA-N 320.349 -0.593 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)c1nccnc1N 1061846523 OSEAGCWEXLBKLT-VHSXEESVSA-N 318.337 -0.824 30 20 DBED CCn1nncc1C(=O)N1CCOC[C@@H]1CNC(=O)[C@@H](C)C#N 1061846651 GEVJDUIUWVHXQN-QWRGUYRKSA-N 320.353 -0.585 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(NC(=O)[C@H]2C[C@H]2C(N)=O)CCC1 1062865604 DNLWIBLEPIYEHG-ZETOZRRWSA-N 323.393 -0.410 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CN(C(=O)CN2CCCC2=O)CCO1 1064840377 KEESAPHIPDMHRV-VXGBXAGGSA-N 322.365 -0.888 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CN(C(=O)c2cnns2)CCO1 1064907113 IGJRSLIRUASYBF-DTWKUNHWSA-N 309.351 -0.345 30 20 DBED C#CCNC(=O)CC(=O)N1CCO[C@H](CNC(=O)CCC=C)C1 1065063300 BBRFGMQGTBRHDL-CYBMUJFWSA-N 321.377 -0.564 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2cncnc2)CCO1 1065073451 MBIJVQZIWSYBBQ-ZDUSSCGKSA-N 320.349 -0.364 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CN(C(=O)C2=CCOCC2)CCO1 1065075856 QRXOQEKDAMCGRU-WCQYABFASA-N 307.350 -0.164 30 20 DBED Cc1nn[nH]c1C(=O)N1CCO[C@H](CNC(=O)[C@@H](C)C#N)C1 1065416713 XSDKGJUGGASPNT-WCBMZHEXSA-N 306.326 -0.770 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)C(C)(C)C(N)=O)C1 1065557917 WVSMWHUAMSWSDA-UWVGGRQHSA-N 310.354 -0.999 30 20 DBED C#Cc1ccc(C(=O)N(C)CCCN(C)C(=O)C(N)=O)nc1 1067870643 NHUFBANIXMWLTH-UHFFFAOYSA-N 302.334 -0.531 30 20 DBED N#Cc1cccnc1N1CCO[C@@]2(CCN(C(=O)C(N)=O)C2)C1 1068083674 JPGDGGKJBJRQOM-HNNXBMFYSA-N 315.333 -0.754 30 20 DBED CC(=O)N[C@@H](C)C(=O)NCC1(NC(=O)[C@@H](C)C#N)CCOCC1 1070230707 BVJUEYNBBTWQJZ-QWRGUYRKSA-N 324.381 -0.548 30 20 DBED N#CCN1CCOC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CCCO2)n1 1070579115 WNCAMTPMSNRTJR-MNOVXSKESA-N 320.353 -0.503 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@@H](NC(=O)[C@H](C)COC)C1 1070636365 UPBNNSHQPGHTMY-CHWSQXEVSA-N 323.393 -0.484 30 20 DBED C=C(Cl)CN[C@@H]1CN(C(=O)C(N)=O)C[C@H]1c1cncn1C 1070684607 PWECLLZEXSODOM-NXEZZACHSA-N 311.773 -0.458 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)[C@H]4CCNC4=O)C[C@@]3(C1)O2 1070836090 PFRKEXUJDHURIF-RSUWNVLCSA-N 303.362 -0.943 30 20 DBED C[C@H]1CN(C(=O)CN2CCCC2=O)C[C@@H]1NC(=O)C#CC1CC1 1071556383 IZQQCEYNFPNMET-JSGCOSHPSA-N 317.389 -0.015 30 20 DBED CCC(=O)NCC(=O)N1C[C@H](C)[C@@H](NC(=O)C#CC2CC2)C1 1071814327 GYIAIGYSJWCDOS-AAEUAGOBSA-N 305.378 -0.111 30 20 DBED C#CCOCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)CCN(C)C)C1 1072101804 QSVYVMWTRJQQBN-KGLIPLIRSA-N 309.410 -0.059 30 20 DBED C=CCOCC(=O)N1CC[C@@H](NC(=O)c2cnn[nH]2)[C@@H](C)C1 1074050243 YDDWIIBYQQJDAB-WDEREUQCSA-N 307.354 -0.026 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)c3[nH]c(O)nc3C)C[C@@H]21 1074270130 CAHVPWPISCLPDQ-RYUDHWBXSA-N 304.350 -0.028 30 20 DBED CCCN(C)CC(=O)N1CCC(O)(CNC(=O)[C@H](C)C#N)CC1 1074656763 YUYRKEPNBCJTHK-CYBMUJFWSA-N 324.425 -0.042 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(O)(CNC(=O)c2ccon2)CC1 1074704679 GCFZPMKMOFQEHQ-JTQLQIEISA-N 306.322 -0.082 30 20 DBED CC(C)C#CC(=O)N1CC[C@@H](NC(=O)CNC(N)=O)C[C@H]1C 1074818545 ILFGAZGZUBRFGH-VXGBXAGGSA-N 308.382 -0.190 30 20 DBED C=CCOCC(=O)N1CC[C@H](NC(=O)Cn2ncnn2)C[C@H]1C 1075004863 VWVBMJNYGDKIDZ-NEPJUHHUSA-N 322.369 -0.629 30 20 DBED C=CCOCC(=O)NCC[C@H](C)NC(=O)CCc1cn(C)nn1 1075922306 MHPNWIDLCQWJJL-LBPRGKRZSA-N 323.397 -0.039 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)Cc2nn(C)c3ccccc23)C1 1077003855 BPUBJDTXEYYRJL-GDBMZVCRSA-N 312.373 -0.090 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC(=O)N(CC)C2)C1 1077086063 KPPGPQURUNZXSE-BFHYXJOUSA-N 309.410 -0.018 30 20 DBED C#CCCCC(=O)N[C@@H](C)CCNC(=O)C[C@@H]1NC(=O)NC1=O 1077120522 FUJRGCJYMVDZBH-QWRGUYRKSA-N 322.365 -0.601 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2cc3cc[nH]c(=O)c3s2)C1 1077267836 FZVUCBWWVYOFRC-GHMZBOCLSA-N 317.370 -0.002 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCS(=O)(=O)C2)C1 1077766394 DTOQPBWXYYXNRZ-IJLUTSLNSA-N 302.396 -0.842 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)CN2CCC(=O)NC2=O)C1 1077955185 ZRCFBZVBFSPPMF-VXGBXAGGSA-N 324.381 -0.944 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3n[nH]cc3C2)C1 1077997209 VHDBYJBDICRWMZ-NILFDRSVSA-N 302.378 -0.301 30 20 DBED CCN(C(=O)CNC(N)=O)C1CN(C(=O)C#CC(C)(C)C)C1 1079280490 PYPYIDXPMURLQM-UHFFFAOYSA-N 308.382 -0.237 30 20 DBED C#CCNC(=O)CC(=O)N(CC)C1CN(C(=O)[C@@H]2CC23CC3)C1 1079645356 CBYCNJVIQZARFR-ZDUSSCGKSA-N 317.389 -0.015 30 20 DBED CCN(C(=O)C#CC(C)C)C1CN(C(=O)C2(NC(N)=O)CC2)C1 1079724472 OHTGTFWAEPIWPI-UHFFFAOYSA-N 320.393 -0.094 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)N(CC)C1CN(C(=O)C(N)=O)C1 1079768725 ZIDFWFPUWIISOK-LBPRGKRZSA-N 324.381 -0.998 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(N(CC)C(=O)[C@H]2CCNC2=O)C1 1080218230 WGGWXCWXZBGPFA-LRDDRELGSA-N 323.393 -0.491 30 20 DBED C[C@H](C#N)C(=O)NC1(CO)CCN(C(=O)c2ccncn2)CC1 1080981919 OUFSKSPQAPPKGE-LLVKDONJSA-N 317.349 -0.280 30 20 DBED C#CCOCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)C(C)(C)F)C1 1081176062 TXKKSYFSSIQSIX-VXGBXAGGSA-N 314.357 -0.290 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C[C@@H]1O 1081438428 CGKYHLLQIRIFLZ-JHZZJYKESA-N 320.389 -0.382 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)c2ccon2)C[C@H]1O 1081463069 JDHZRLQRPYQMSW-WCQYABFASA-N 305.334 -0.117 30 20 DBED CC(C)(C)C(=O)C(=O)N1C[C@H](O)[C@H](CNC(=O)C#CC2CC2)C1 1081472021 UTJAYYFWCHXYTJ-OLZOCXBDSA-N 320.389 -0.050 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)COc1cnn(C)c1 1083176955 ZUFQXSWPQFXBJC-LSDHHAIUSA-N 318.377 -0.266 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)c2cccn3nnnc23)C1 1083490873 ALTLKYVPSROAPL-MNOVXSKESA-N 322.756 -0.348 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)c2ccc3ncn(C)c3n2)C1 1083776668 JMOFWCAZDAFPMJ-KGLIPLIRSA-N 313.361 -0.234 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2ccc(CNC(C)=O)s2)C1 1083815232 NKRIUYZAQCFDPH-OLZOCXBDSA-N 321.402 -0.208 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)C(C)(C)C(N)=O)N=c1cc[nH]c(C#N)n1 1089414301 ZXAIMEQRKMKAJF-VHSXEESVSA-N 318.381 -0.023 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@H]2CNC(=O)N2)CC2(CCOCC2)C1 1089953737 YISYANUVVJYSKS-QWHCGFSZSA-N 320.393 -0.712 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2cc(C(N)=O)ccn2)[C@H](O)C1 1090858150 NSEKKMFNKXLMQB-TZMCWYRMSA-N 316.361 -0.631 30 20 DBED CC(=O)CCCC(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@@H]1O 1091063327 PHQLQUZQPLRKEE-OLZOCXBDSA-N 317.349 -0.227 30 20 DBED N#Cc1cnc(N[C@@H]2CCCC[C@H]2NC(=O)CNC(N)=O)cn1 1091232029 FXWONLYIQCHKBE-GHMZBOCLSA-N 317.353 -0.144 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1C[C@@H](Nc2ccc3nnnn3n2)C1 1091323182 BJAXZVJGLOVCMN-BBBLOLIVSA-N 300.326 -0.014 30 20 DBED N#Cc1nc(=N[C@H]2C[C@@H](CNC(=O)CCCC(N)=O)C2)cc[nH]1 1091352394 RGPNBVQFNLQUJR-PHIMTYICSA-N 316.365 -0.268 30 20 DBED C[C@@H]1CN(c2nccnc2C#N)C[C@H]1CNC(=O)CC(N)=O 1092358112 KTSHNRDLABTEIO-NXEZZACHSA-N 302.338 -0.588 30 20 DBED N#Cc1ccc(N2C[C@H]3[C@H](NC(=O)CNC(N)=O)[C@H]3C2)cn1 1093211883 WCAWKPVTHDRRRE-PJXYFTJBSA-N 300.322 -0.828 30 20 DBED Cn1cnnc1COCC(=O)NCCNc1ccc(C#N)cn1 1093838074 NGHPLAUPGUFOIL-UHFFFAOYSA-N 315.337 -0.173 30 20 DBED CCCNC(=O)CCC(=O)NCCCN=c1cc[nH]c(C#N)n1 1094506623 NQBZANVKZRJIEO-UHFFFAOYSA-N 318.381 -0.005 30 20 DBED C=C(C)CN1CC(N2C[C@@H](NC(=O)c3cnn(C)n3)CC2=O)C1 1094795759 YIQFZNFUUVWQLH-NSHDSACASA-N 318.381 -0.594 30 20 DBED CN(CCCNC(=O)c1nccnc1N)c1nccnc1C#N 1095515864 DJMJXUDATZKMKN-UHFFFAOYSA-N 312.337 -0.023 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(N)=O 1095556223 FPDPRPMMTWRQKZ-RFGFWPKPSA-N 304.394 -0.709 30 20 DBED CN(C(=O)CC(N)=O)C1CCN(c2ccnc(C#N)n2)CC1 1096099611 SGFUKCJQWQGJMU-UHFFFAOYSA-N 302.338 -0.349 30 20 DBED CS(=O)(=O)CC(=O)N[C@@H]1CCN(c2ccc(C#N)nn2)C1 1096342838 KWMIZENTDOSRJG-SNVBAGLBSA-N 309.351 -0.912 30 20 DBED N#Cc1cnc(N2CC[C@@H](NC(=O)CCNC(N)=O)C2)c(F)c1 1096377458 AMYMNANDAZHBHV-SNVBAGLBSA-N 320.328 -0.154 30 20 DBED C[C@@H](CC(=O)N[C@H]1CCN(c2cnc(C#N)cn2)C1)NC(N)=O 1096440020 QGTFWDQUUKQQRL-UWVGGRQHSA-N 317.353 -0.510 30 20 DBED N#Cc1cnc(N[C@H](CNC(=O)[C@H]2CCNC2=O)C2CC2)cn1 1096782368 BERLNUKUNFLYSU-NWDGAFQWSA-N 314.349 -0.209 30 20 DBED C[C@@H](CNC(=O)CNC(=O)C1CC1)Nc1nccnc1C#N 1097686693 LBMWEZXPPVCNQJ-VIFPVBQESA-N 302.338 -0.209 30 20 DBED C[C@@H](CNC(=O)c1cn(C)c(=O)cn1)Nc1cnc(C#N)cn1 1098429676 OJJZFBSRENIQDW-VIFPVBQESA-N 313.321 -0.328 30 20 DBED N#CCN(CCO)C1CCN(C(=O)C(=O)NCC2CC2)CC1 1098514479 WASZOKIOBNIVKE-UHFFFAOYSA-N 308.382 -0.679 30 20 DBED N#Cc1nc(=NCCc2ccc(CNC(=O)C(N)=O)cc2)cc[nH]1 1098667694 KVJOKGILBAOVFL-UHFFFAOYSA-N 324.344 -0.474 30 20 DBED C[C@@H](CCNC(=O)CS(C)(=O)=O)Nc1ccc(C#N)nn1 1098852288 IBKYROPRUSEGRC-VIFPVBQESA-N 311.367 -0.300 30 20 DBED N#CCSCC(=O)N[C@H]1CCN(Cc2cnon2)C[C@@H]1O 1099692821 HRLMGQSOWKFSBV-QWRGUYRKSA-N 311.367 -0.622 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)c2cnc(C)[nH]2)[C@@H](O)C1 1099728116 VUWFCBCFZDNKSP-YPMHNXCESA-N 321.381 -0.815 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)C2CC=CC2)[C@@H](O)C1 1099743423 JGYGFNMXKUYLEB-KGLIPLIRSA-N 307.394 -0.194 30 20 DBED C[C@H](CCNC(=O)[C@H]1CC(=O)N(C)C1)N=c1cc[nH]c(C#N)n1 1099748521 YHQDRGIPSGLDRI-MNOVXSKESA-N 316.365 -0.445 30 20 DBED C=CCN1CC[C@H](NC(=O)CCCN2C(=O)CCC2=O)[C@@H](O)C1 1099864467 SIEPXFSCLWTBGL-STQMWFEESA-N 323.393 -0.347 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CCc2nccn2C)[C@H](O)C1 1099929512 ZRXMMLVBTHAJAC-ZIAGYGMSSA-N 304.394 -0.073 30 20 DBED CC#CCN1CC[C@@H](NC(=O)C(C)(C)S(C)(=O)=O)[C@@H](O)C1 1100022069 GVJABGCRWVXOAQ-NEPJUHHUSA-N 316.423 -0.616 30 20 DBED C#CCCN1CC[C@H](NC(=O)COC2CCOCC2)[C@@H](O)C1 1100024963 RKKWITIUSLZFAH-GJZGRUSLSA-N 310.394 -0.243 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CCCn2cncn2)[C@H](O)C1 1100065064 WXCZUVYCGGPGSM-ZIAGYGMSSA-N 305.382 -0.367 30 20 DBED CCN1CCO[C@@H](C(=O)NCCN(C)c2nccnc2C#N)C1 1100134630 BODFRRCQDDKZHT-CYBMUJFWSA-N 318.381 -0.379 30 20 DBED CN(CCNC(=O)[C@H]1CCCS1(=O)=O)c1cnc(C#N)cn1 1100135564 WQXVLMIMPVYCTJ-LLVKDONJSA-N 323.378 -0.522 30 20 DBED CCN(CCNC(=O)c1cnn(C)n1)c1nccnc1C#N 1100563229 YPVDXOFIKKGCTC-UHFFFAOYSA-N 300.326 -0.267 30 20 DBED CCN(CCNC(=O)[C@@H]1CCC(=O)N1)c1ccc(C#N)nn1 1100573119 HTBJVKRFSXJGON-NSHDSACASA-N 302.338 -0.431 30 20 DBED CC#CCNC1CC(CNC(=O)C(C)(C)NS(C)(=O)=O)C1 1100739078 GUPDWOSGOCVNHR-UHFFFAOYSA-N 315.439 -0.178 30 20 DBED CC(=O)N(C)CC(=O)N[C@@H]1CC2(CN(CC#N)C2)n2ccnc21 1101610255 KDQCTVLARWNVPQ-GFCCVEGCSA-N 316.365 -0.543 30 20 DBED COCC(=O)N[C@H](C)C(=O)N(C)CCNc1cnc(C#N)cn1 1102008295 LOMKDRGTGIULFI-SNVBAGLBSA-N 320.353 -0.630 30 20 DBED COC(=O)NCC(=O)N(C)[C@@H]1CCN(c2cncc(C#N)n2)C1 1102672288 ZMEUVZGUUHOPLD-LLVKDONJSA-N 318.337 -0.259 30 20 DBED C#CCN1C[C@@H](C)[C@H](CCNC(=O)CN(C)C(=O)COC)C1 1103052767 MYJWJDUQQMMIGN-ZIAGYGMSSA-N 309.410 -0.201 30 20 DBED CC[C@@H](CNC(=O)C[C@H]1CCNC1=O)N=c1cc[nH]c(C#N)n1 1103214448 SEVHUWQVQADDFX-MNOVXSKESA-N 316.365 -0.397 30 20 DBED C[C@@H](CNC(=O)c1cnn(C)n1)CNc1cncc(C#N)n1 1104019423 XSTGMROGJDJBOM-SECBINFHSA-N 300.326 -0.045 30 20 DBED C=CCCCC(=O)N1CC(n2cc(CNCC(=O)NC)nn2)C1 1105315190 ARYMHRSMSNYWEL-UHFFFAOYSA-N 320.397 -0.147 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)C[C@H]2CCCO2)nn1 1105718270 KHJHCGYPWPPOSJ-NWDGAFQWSA-N 305.338 -0.194 30 20 DBED CCc1cc(C(=O)NC[C@@H](O)CN=c2cc[nH]c(C#N)n2)no1 1105907993 HAKDZNMIIYDZTJ-VIFPVBQESA-N 316.321 -0.477 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](O)CNc1nccc(OC)n1 1106123727 QNBNNLKQYLEHKH-UTUOFQBUSA-N 322.365 -0.035 30 20 DBED C=CCn1cc(C(=O)NC[C@@H](O)CNc2nccnc2F)nn1 1106132322 YIKPRFGIZZPAQL-VIFPVBQESA-N 321.316 -0.404 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)CN2CCOCC2=O)C[C@H]1C 1106258167 WYBNEEYIUQADAI-ZIAGYGMSSA-N 307.394 -0.447 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)c1ccn(C)c(=O)c1 1108198302 IGBXWKQYWLPHGM-SNVBAGLBSA-N 312.333 -0.301 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CNc1cc(COC)ncn1 1108321184 LPQHUGUNYJIARH-NSHDSACASA-N 319.365 -0.321 30 20 DBED C[C@@H](CNc1cncc(C#N)n1)NC(=O)CCn1cnnn1 1108484318 ZKNUVTUHVUZEFY-VIFPVBQESA-N 301.314 -0.658 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H]1CC(=O)N(C2CN(CC=C)C2)C1 1108546137 PBQMOOXXGXUYKF-OLZOCXBDSA-N 305.378 -0.388 30 20 DBED C[C@H](CN(C)c1ccnc(C#N)n1)NC(=O)[C@H]1CN(C)CCO1 1108905361 JEMFUQJXYQWIIB-VXGBXAGGSA-N 318.381 -0.380 30 20 DBED C[C@H](CN(C)c1ccc(C#N)nn1)NC(=O)c1cnn(C)c1N 1108932814 FZLRNXBCFITKBD-SECBINFHSA-N 314.353 -0.081 30 20 DBED C#CCCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CC[C@@H]1NC(=O)NC1=O 1111374413 MCPDWTZWERYZTP-XQHKEYJVSA-N 318.377 -0.281 30 20 DBED N#CCNC(=O)CN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCOC2)C1 1111634858 LZHZOWYQWNHAPG-WWGRRREGSA-N 320.393 -0.367 30 20 DBED CC(=O)NCC(=O)NC[C@H]1COCCN1c1ncccc1C#N 1111649808 VECYXPRIXUSHFW-ZDUSSCGKSA-N 317.349 -0.589 30 20 DBED CCS(=O)(=O)NCCN1CCN(C(=O)[C@@H](C)C#N)CC1 1112711195 UDCMJSYYAIYRNM-NSHDSACASA-N 302.400 -0.770 30 20 DBED C#CCO[C@H](C)C(=O)N1CCN([C@H](C)C(=O)NC(=O)NC)CC1 1112841921 RKFMGSNWRIQFDY-VXGBXAGGSA-N 324.381 -0.987 30 20 DBED CNC(=O)NCCC(=O)N[C@@H](C)[C@H](C)N=c1cc[nH]c(C#N)n1 1113000840 GPYDZIRHGWEKMR-UWVGGRQHSA-N 319.369 -0.606 30 20 DBED C=CC(C)(C)C(=O)N1CCN(CCNS(C)(=O)=O)CC1 1113194316 XISQVVUQVXEUNQ-UHFFFAOYSA-N 303.428 -0.108 30 20 DBED C[C@@H](CNC(=O)[C@H]1CN(C)C(=O)N1)N(C)c1nccnc1C#N 1113802042 GLDJUGBAINMZNX-GXSJLCMTSA-N 317.353 -0.687 30 20 DBED C[C@H](CNC(=O)C1(C(N)=O)CC1)N(C)c1cncc(C#N)n1 1113845421 GNJZRJGKJPLOOX-SECBINFHSA-N 302.338 -0.445 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)CCc3nc[nH]n3)[C@@H]2C1 1114120474 RZIFYNZSJHOJIY-VXGBXAGGSA-N 303.366 -0.567 30 20 DBED Cc1nc(C(=O)NC2[C@H]3CN(CC(=O)NCC#N)C[C@H]23)co1 1114178636 QQIZLBWRDPWPBQ-UWVGGRQHSA-N 303.322 -0.717 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)Cn3nccn3)[C@@H]2C1 1114336397 OGZUDYDNUHWJOL-QJPTWQEYSA-N 318.381 -0.985 30 20 DBED C=C(C)CCC(=O)NC1[C@@H]2CN([C@@H](C)C(=O)NC(N)=O)C[C@@H]12 1114352870 ITNWXESTWOTRIY-HBNTYKKESA-N 308.382 -0.028 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)Cc3cnn(C)c3C)[C@H]2C1 1114384213 GRJZWXQVGFYBQM-QLPKVWCKSA-N 316.405 -0.033 30 20 DBED CNC(=O)CC(=O)N[C@H]1CN(c2nccnc2C#N)CC1(C)C 1114443875 KGSAUUHOHHOSFD-NSHDSACASA-N 316.365 -0.185 30 20 DBED Cc1cc(N2C[C@@H]3C(CNC(=O)CC(N)=O)[C@H]3C2)c(C#N)cn1 1114546931 MSBHOCSFQXWXAW-CHWSQXEVSA-N 313.361 -0.065 30 20 DBED C=C(C)CN1C[C@H]2C(NC(=O)[C@H](CCC(N)=O)NC(C)=O)[C@@H]2C1 1114977790 INMQODYJPHAVER-UPJWGTAASA-N 322.409 -0.621 30 20 DBED CCCn1cc(C(=O)NC2[C@H]3CN(CC#CCOC)C[C@H]23)nn1 1115025308 NCXKGUUZEXIZSE-STQMWFEESA-N 317.393 -0.002 30 20 DBED CN(c1ccnc(C#N)n1)C1CCN(C(=O)CNC(N)=O)CC1 1115129282 IIPNJARWDDETPE-UHFFFAOYSA-N 317.353 -0.556 30 20 DBED C#CCN(CC1CC1)C(=O)NCCNS(=O)(=O)N(C)C 1118543596 PRYGRZVURMUOEJ-UHFFFAOYSA-N 302.400 -0.563 30 20 DBED N#Cc1cnc(N[C@H](CO)CNC(=O)C[C@H]2CCCO2)cn1 1121100417 SXOHPKUBJUVOBR-NWDGAFQWSA-N 305.338 -0.194 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)[C@H]2CCCOC2)nn1 1121196915 DNQQELUQAGKDCI-CMPLNLGQSA-N 305.338 -0.336 30 20 DBED C=CCOCC(=O)NC[C@H](CO)Nc1nc(C)nc(N(C)C)n1 1121324092 JDTVVGQVOBJMKL-LLVKDONJSA-N 324.385 -0.662 30 20 DBED CN(C)C1(C(=O)NC[C@@H](CO)Nc2cncc(C#N)n2)CCC1 1122190213 NSCQHQQTTAIPPQ-LBPRGKRZSA-N 318.381 -0.278 30 20 DBED CCC(=O)N[C@H](C)C(=O)NC[C@H](CO)Nc1cncc(C#N)n1 1122752519 OJBGDZRSMNQEPY-MWLCHTKSSA-N 320.353 -0.848 30 20 DBED CN(C[C@H](O)CNc1ccc(C#N)nn1)C(=O)c1cnsn1 1124091059 OLZGZTKWUGIYOI-SECBINFHSA-N 319.350 -0.255 30 20 DBED CN(C[C@H](O)CNc1ccc(C#N)cn1)C(=O)Cn1nccn1 1124571777 CBTAVBFXEPKUKE-GFCCVEGCSA-N 315.337 -0.524 30 20 DBED C=C(C)CN(CC)C(=O)CNCCNC(=O)[C@H]1CC(=O)N(C)C1 1128664492 DHTNEXPGLDFAOD-ZDUSSCGKSA-N 324.425 -0.405 30 20 DBED CCN(C)C(C)(C)C(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1 1129084689 SPIDYGUFKSAKQB-OLZOCXBDSA-N 319.413 -0.127 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCNCc1ccn(C)c(=O)c1 1129775192 JWKWUCSHXXITDT-HNNXBMFYSA-N 316.405 -0.311 30 20 DBED CC#CCN[C@@H]1CN(C(=O)Cc2cnoc2)C[C@@H]1n1ccnn1 1129980249 GNXUCQKWBOSCHH-KGLIPLIRSA-N 314.349 -0.126 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1cc2cccn2cn1 1130140597 XSMDQQGXEISANY-UHFFFAOYSA-N 300.322 -0.707 30 20 DBED C#CCNC(=O)CN1CC[C@@]2(C1)CN(C(=O)C1CC1)C[C@@H](C)O2 1131612234 DISTWQPPSLEENZ-CXAGYDPISA-N 319.405 -0.162 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1c[nH]nc1-c1ccoc1 1131699296 FSMJSMILTFTLHJ-UHFFFAOYSA-N 315.333 -0.262 30 20 DBED C=CCOCC(=O)N1CC[C@@H](C)[C@H](CNCc2nnnn2C)C1 1132705693 QJWSDQDNUYKBIZ-CHWSQXEVSA-N 322.413 -0.013 30 20 DBED Cc1c(C(=O)N[C@H](C)C[C@H](C)NCC(=O)NCC#N)cnn1C 1133708244 RQNDQEZSNNUNFM-WDEREUQCSA-N 320.397 -0.145 30 20 DBED CCn1nncc1C(=O)N[C@H](C)C[C@@H](C)NCC(=O)NCC#N 1134322080 OPGHKSBNKOUKLE-GHMZBOCLSA-N 321.385 -0.576 30 20 DBED C[C@H](C[C@@H](C)NC(=O)COCC(F)F)NCC(=O)NCC#N 1135069847 GOPWOTFTSXTVOR-NXEZZACHSA-N 320.340 -0.219 30 20 DBED C[C@H](C[C@@H](C)NC(=O)c1c[nH]nc1S(N)(=O)=O)NCC#N 1135460991 VVUPLKXWDDWLHL-HTQZYQBOSA-N 314.371 -0.933 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)C(=O)N1CCC[C@@H]1CC 1147028036 NTUJHEMKWFDNAV-OLZOCXBDSA-N 324.425 -0.216 30 20 DBED O=C(CN1C(=O)CNC1=O)NCCNCC#Cc1ccccc1 1150349980 PQXANVLWFHFFMF-UHFFFAOYSA-N 314.345 -0.704 30 20 DBED C=CCCOCC(=O)NCCNC[C@H](O)CO[C@@H](C)COC 1153086065 QJLUKFAGHVAJAM-KBPBESRZSA-N 318.414 -0.303 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H](C)N(CC)CC(=O)NCC#N 1153327904 WSDGLBYJDIJFAB-CHWSQXEVSA-N 308.382 -0.509 30 20 DBED Cc1cc(NC(=O)CNCCCNC(=O)[C@H](C)C#N)n(C)n1 1155860567 OAOCLEJDLIYPRB-SNVBAGLBSA-N 306.370 -0.077 30 20 DBED C=CCN1CC=C(CCNC(=O)C[C@H](NC(C)=O)C(N)=O)CC1 1161417455 LSNYZDMHNXSZTH-AWEZNQCLSA-N 322.409 -0.309 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)C1CCN(C)CC1 1165776494 JITJTVWIAJITTN-ZDUSSCGKSA-N 308.426 -0.438 30 20 DBED N#CCNC(=O)CNCCCNC(=O)[C@H]1CCC[C@@H]2CCCN21 1168023046 SUODBFACIOXZBK-ZIAGYGMSSA-N 321.425 -0.261 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)Cc2nonc2C)C1=O 1169877867 IIGBLZXTGLGXGB-LBPRGKRZSA-N 321.381 -0.197 30 20 DBED C[C@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)c1ccccn1 1178033981 GDZJUKSVZNCDLN-RYUDHWBXSA-N 301.350 -0.086 30 20 DBED C[C@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)C[C@@](C)(O)C1CC1 1178486062 XRFQYZHDBWDERE-DETPVDSQSA-N 322.409 -0.244 30 20 DBED C[C@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)c1cncnc1 1178525624 QCBNKCCZBMHWGB-JQWIXIFHSA-N 302.338 -0.691 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)C(=O)NCC2CC2)[C@H]1C 1179807216 XUMNZLLAFXIYBG-AAEUAGOBSA-N 322.409 -0.606 30 20 DBED C=CCOCCCC(=O)N1CC[C@@H](NCc2nnnn2C)C1 1181890570 KYOXDYMHLBARIP-GFCCVEGCSA-N 308.386 -0.117 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CCO[C@H]2CC)C1 1184453701 NGCFGSBCIYANAH-MCIONIFRSA-N 307.394 -0.259 30 20 DBED C[C@@]1(C(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)CCCOC1 1186607583 AIHBYJUKBCBBHV-IUODEOHRSA-N 308.382 -0.367 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H]2CCN(C(=O)c3cc[nH]n3)[C@@H]2C1 1186929656 APBPZEKLUAKGFA-SGMGOOAPSA-N 315.377 -0.306 30 20 DBED C=CCC[C@H](C)N[C@@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 1188126207 TUSKJKDKIUGCPQ-NWDGAFQWSA-N 320.397 -0.078 30 20 DBED C=CCO[C@H](C)C(=O)N1CC[C@@H](NCCNS(C)(=O)=O)C1 1188302206 VTCRYFIHSSFFBE-VXGBXAGGSA-N 319.427 -0.683 30 20 DBED C#CCCCCC(=O)N1CC[C@H](N(C)CC(=O)NC(N)=O)C1 1189744405 RPIDULGACBRJHC-LBPRGKRZSA-N 308.382 -0.092 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](N(C)CC(=O)NC(C)C)C1 1189759939 FOBQLAPUOFGBLX-CYBMUJFWSA-N 322.409 -0.817 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)[C@H](C2CC2)N(C)C)C1 1190655140 NTJPKGATZNLLBP-ZBFHGGJFSA-N 320.437 -0.391 30 20 DBED CCCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C#CC(C)(C)C)C1 1192814176 XXAHKEIXWDZCTR-CHWSQXEVSA-N 309.410 -0.277 30 20 DBED C#CCCCCCC(=O)N[C@@H]1CN(CC(=O)N(C)C)C[C@H]1O 1195301721 PQZQMKCOMNDNGB-ZIAGYGMSSA-N 309.410 -0.180 30 20 DBED Cc1cc(CC(=O)N2CCCN(CC(=O)NCC#N)CC2)n[nH]1 1195465619 CEEPYIOYHDQDHR-UHFFFAOYSA-N 318.381 -0.565 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)c2nccs2)C1 1197124406 MOSQKTCBXJWQJZ-HBNTYKKESA-N 322.390 -0.944 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(Cc2ncnn2CC)C[C@H]1O 1199292436 KIBRSLYPRZNVPC-CHWSQXEVSA-N 323.397 -0.448 30 20 DBED CC(C)C#CC(=O)N1CCCO[C@H](CNCc2nc(O)n[nH]2)C1 1200469133 DBPOTKLJDDYEPR-GFCCVEGCSA-N 321.381 -0.123 30 20 DBED N#CCNC[C@H]1CN(C(=O)c2ccc3nnnn3c2)CCCO1 1200955357 IEFAQZMCSNXUGS-LBPRGKRZSA-N 315.337 -0.531 30 20 DBED COCC#CCN[C@@H]1C[C@H](NC(=O)Cn2ncnn2)C12CCC2 1202930501 WBGNJRRANZYSSL-OLZOCXBDSA-N 318.381 -0.660 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@H](Cn1cccn1)N(C)C 1207547144 MJQXEBJGYYBHOP-MCIONIFRSA-N 304.398 -0.227 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H](NCCNS(C)(=O)=O)C1 1207694026 SCNRNWWZQJFTDB-GHMZBOCLSA-N 302.400 -0.724 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)C[C@H]2CCN(C)C2)C1 1210673865 IKUZUVQHIJGDIA-HUUCEWRRSA-N 320.437 -0.342 30 20 DBED C=C/C(C)=C\CC(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1OC 1213285173 IUPNCUQSPXFDMS-SNBRUFEUSA-N 320.393 -0.036 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)C[C@H]2CCCOC2)C[C@H]1C 1216764498 AKOGTEIJPGMSDO-RBSFLKMASA-N 321.421 -0.011 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)N1C[C@@H](NCCO)[C@H](C)C1 1216850982 VMZGZFLZUOPJMM-VXGBXAGGSA-N 312.414 -0.321 30 20 DBED C=CCOCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CC(=O)NC 1217720717 SUJNVNPICKTUCG-QWHCGFSZSA-N 311.382 -0.763 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CN(CC(=O)NCCC(C)(C)C)C[C@@H]1O 1219378709 CPRSSCVEOSGRNL-XQQFMLRXSA-N 324.425 -0.140 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CN(CCCCCn2cncn2)C[C@@H]1O 1219381262 MKYKSDRXUVUDNY-MCIONIFRSA-N 320.397 -0.231 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)C[C@@H](C)N2CCCCC2=O)C1 1219621125 XQEYKOHUYSYDHJ-KFWWJZLASA-N 321.421 -0.038 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)C(C)(C)CS(C)(=O)=O)C1 1221131469 BVMBANIDSXVPPZ-NEPJUHHUSA-N 316.423 -0.758 30 20 DBED COCC#CCN1CC[C@@H]2CN(C(=O)C3CN(C(C)=O)C3)[C@@H]2C1 1221505838 FIYZDKQBSAHOCM-GDBMZVCRSA-N 319.405 -0.353 30 20 DBED C=CCN1CC[C@@H](N2CCC(NC(=O)CC(=O)NC)CC2)C1=O 1227030703 ROQALRNOQVVNQU-CYBMUJFWSA-N 322.409 -0.510 30 20 DBED C=CCN1CCS(=O)(=O)[C@@H](CCNC(=O)c2ccncn2)C1 1230512014 GQTKJVIYKFZHSZ-LBPRGKRZSA-N 324.406 -0.119 30 20 DBED COCCCCC(=O)N(C)C[C@@H]1CCN1CC(=O)NCC#N 1231138599 JCIQLFNEVUMONG-ZDUSSCGKSA-N 310.398 -0.024 30 20 DBED C=CCOCC(=O)NCCCN(C)CC(=O)NC(=O)NC 1235699268 STVPZJOYCKZLEM-UHFFFAOYSA-N 300.359 -0.917 30 20 DBED C#CCOCCC(=O)N1CC[C@H](N[C@H](C)C(=O)NC(=O)NC)C1 1265428912 FURXRNLXYXIXMV-NEPJUHHUSA-N 324.381 -0.939 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@@H](CC)CSC 1323762385 KYLSHYVXABIWSQ-JTQLQIEISA-N 322.452 -0.039 30 20 DBED C#C[C@@H](NC(=O)C(=O)NCc1nnc(C)n1C)[C@@H]1CCCO1 1325998566 DPOBSFHGKOQLRN-MNOVXSKESA-N 305.338 -0.963 30 20 DBED C#CCNC(=O)CN1CCN([C@@H]2CCN(C3CC3)C2=O)CC1 1326717181 TZLCIGMAMRJMIN-CQSZACIVSA-N 304.394 -0.883 30 20 DBED C[C@@H](CO)CCCNC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1330418332 NHGFPCDDWDTKEM-TZMCWYRMSA-N 322.409 -0.290 30 20 DBED N#CC1(NC(=O)Cn2cc(CCN3CCNCC3)nn2)CCC1 1333532432 AOYQKOVSMUEKAH-UHFFFAOYSA-N 317.397 -0.712 30 20 DBED C#CCN(C)c1nnnn1Cc1cccc(OCC(N)=O)c1 1335354271 JNGUFFXAVAZQIR-UHFFFAOYSA-N 300.322 -0.345 30 20 DBED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1ccc(C(N)=O)c(C)c1 1339864522 BTZZUWPHOBXLFU-GFCCVEGCSA-N 317.345 -0.077 30 20 DBED N#C[C@@H]1CCCN(C(=O)C(=O)NCC2(N3CCOCC3)CC2)C1 1341534559 SNDXZRYQJKOJIG-ZDUSSCGKSA-N 320.393 -0.270 30 20 DBED C#CCNC(=O)C1CCN(C(=O)C(=O)N2CC[C@H]3C[C@H]3C2)CC1 1346993688 WHKJFNHLBSQVAE-KBPBESRZSA-N 317.389 -0.157 30 20 DBED N#Cc1cncc(S(=O)(=O)N[C@@H]2CCc3nnnn3CC2)c1 1365715341 QOVVBVYETCTVLY-SNVBAGLBSA-N 319.350 -0.377 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@@H](C)CNC(=O)c1c[nH]c(C(N)=O)c1 1380739040 XSXKABMIJNABCJ-IUCAKERBSA-N 305.338 -0.150 30 20 DBED Cc1nc(CC(=O)N[C@@H](C)C2CN(C(=O)[C@@H](C)C#N)C2)n[nH]1 1383274692 MAIHWUYXDYMQKR-IUCAKERBSA-N 304.354 -0.222 30 20 DBED C[C@H]1CC[C@H](CNC(=O)CCn2cc(C#N)c(O)nc2=O)O1 1417926959 LVIHGTYSOJSICZ-GXSJLCMTSA-N 306.322 -0.106 30 20 DBED N#Cc1cn(CCNC(=O)COC2CCCC2)c(=O)nc1O 1418528242 BLSVPGHMOWBROZ-UHFFFAOYSA-N 306.322 -0.104 30 20 DBED CCOC(=O)[C@H]1CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)C1 1420322556 ABEGFSSEAGWVPQ-VIFPVBQESA-N 320.305 -0.768 30 20 DBED C=C(Cl)CN1CC(O)(CNC(=O)Cc2nonc2C)C1 1421494894 RQEGFQDSSCZYGW-UHFFFAOYSA-N 300.746 -0.164 30 20 DBED CCS(=O)(=O)C1CN(S(=O)(=O)c2cncc(C#N)c2)C1 1424049144 RTTYYSFJHWUUDM-UHFFFAOYSA-N 315.376 -0.239 30 20 DBED N#Cc1cn(CCC(=O)NC[C@@]2(O)CCSC2)c(=O)nc1O 1433780731 WEIRSPIEJDQWQY-ZDUSSCGKSA-N 324.362 -0.805 30 20 DBED CCC(=O)NCC(=O)N[C@H]1C[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 1447418108 QJLQRNVYCBAZNT-XYPYZODXSA-N 317.349 -0.210 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]1CN(C)C(=O)CCN1CCOCC1 1452856699 BCVMUFXIOVMIQB-UONOGXRCSA-N 322.409 -0.072 30 20 DBED N#CCCN1CCN(C(=O)c2coc(S(N)(=O)=O)c2)CC1 1454912604 ZEFHETFLONUJOB-UHFFFAOYSA-N 312.351 -0.402 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1cnn(C)c1C1CC1 1458022150 VNRTWNVJNQQXGX-ONGXEEELSA-N 319.365 -0.336 30 20 DBED COCCC[C@H](C)C(=O)N1CC[C@H](NCC(=O)NCC#N)C1 1490849468 ZGJOYDDAJVDUMR-STQMWFEESA-N 310.398 -0.121 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)c2cncs2)C1 1506795947 ZRMYYNIIRRDXLT-TVQRCGJNSA-N 308.363 -0.004 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CN(C)C(=O)CCc1cncnc1 1511570839 RXHMGWIZOWNVQL-DGCLKSJQSA-N 319.365 -0.496 30 20 DBED CCCN(CCNC(=O)[C@H](C)C#N)C(=O)[C@@H]1CC(=O)N(C)C1 1529651170 OBOYIZKUTXWRHE-VXGBXAGGSA-N 308.382 -0.021 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCCN(CCc2cnn[nH]2)C1 1575013108 LMFWHTLWIDPJSE-CQSZACIVSA-N 305.382 -0.032 30 20 DBED C[C@@H]1[C@@H](C)[S@@](=O)CCN1c1cnc(-c2nn[nH]n2)c(C#N)n1 1575869409 QULQRRCVOJJVDF-PVJNZWLOSA-N 318.366 -0.126 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)c1cc(O)cc(-c2nn[nH]n2)c1 1588353438 SBGIBBYQHYZBRO-QMMMGPOBSA-N 315.289 -0.133 30 20 DBED C#CCN(CC(=O)O)C(=O)CC1CCN(S(C)(=O)=O)CC1 1588401963 HNFXOOKTQSYIMG-UHFFFAOYSA-N 316.379 -0.406 30 20 DBED C#CC[C@H](NC(=O)CSc1nnc(CCC)n1N)C(=O)O 1588405262 LCZFCZJOCHLSHI-QMMMGPOBSA-N 311.367 -0.371 30 20 DBED C#CC[C@@H](NS(=O)(=O)c1cc(C(=O)OC)ccn1)C(=O)O 1588423245 AJYOIOZEYFZLBB-SECBINFHSA-N 312.303 -0.377 30 20 DBED C=C(CCC(=O)O)C(=O)N1CCO[C@@H](CN2CCOCC2)C1 1588619342 QVIRQEYUWZAICD-ZDUSSCGKSA-N 312.366 -0.033 30 20 DBED C[C@@H](C#N)CNC(=O)N1CCN([C@]2(C(=O)O)CCOC2)CC1 1589330837 RRWFNIOUXBDYFV-SMDDNHRTSA-N 310.354 -0.283 30 20 DBED COC(=O)C12CC(CN1c1cnc(C#N)c(-c3nn[nH]n3)n1)C2 1591245408 BYFABNWZKVMRDF-UHFFFAOYSA-N 312.293 -0.330 30 20 DBED CN1C[C@H](C(=O)O)N(C(=O)c2ccccc2OCC#N)CC1=O 1598562074 HEQCQCZWJRFWPO-LLVKDONJSA-N 317.301 -0.044 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CCN(c2ccc(-c3nn[nH]n3)nn2)C1 1602984522 XPFDQUNOOGEZMW-IUCAKERBSA-N 313.325 -0.489 30 20 DBED Cc1nn(C)c(N2CCN(C[C@@](C)(O)C(=O)O)CC2)c1C#N 1608002118 SKULNMDZUIMPIS-CQSZACIVSA-N 307.354 -0.442 30 20 DBED CCCS(=O)(=O)CCn1c(N)nc(C#N)c1-c1nn[nH]n1 1609216501 NCWHHPNVNQUCPP-UHFFFAOYSA-N 310.343 -0.658 30 20 DBED Cc1oc2ncn(C)c(=O)c2c1C(=O)N[C@@H]1CNC[C@@H]1C#N 1645868418 AXFXJFNXHPJSKO-DTWKUNHWSA-N 301.306 -0.324 30 20 DBED CS(=O)(=O)N=S1(=O)CCN(c2ncncc2C#N)CC1 1645957581 FSMZOHJJKSIYPG-UHFFFAOYSA-N 315.380 -0.404 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@H]1C[C@H](NC(=O)[C@H]2CCCN2C)C1 1725355374 GFVAZMLJAODKRJ-KBUPBQIOSA-N 320.437 -0.297 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)C[C@H]2CCCC(=O)N2)C1 1731373254 MUVIKVDXNUJXJF-CHWSQXEVSA-N 322.409 -0.462 30 20 DBED C#CCNC(=O)CN(C)CCCNC(=O)c1n[nH]c(C)c1O 1751957696 BODYWXAVFYPVRR-UHFFFAOYSA-N 307.354 -0.775 30 20 DBED C#CCN(C)C[C@@H]1CCCN(C(=O)CS(=O)(=O)N(C)C)C1 1752526713 GNZJFKIIVLFMNO-ZDUSSCGKSA-N 315.439 -0.319 30 20 DBED CNC(=O)c1ccc(C(=O)NC[C@H](C)NCC#CCOC)cn1 1752913667 LPYJUKBLCDMMOO-LBPRGKRZSA-N 318.377 -0.201 30 20 DBED C#CCNC(=O)CN1CC(NC(=O)CCc2ccnc(C)n2)C1 1753382839 WYUBTFYTZWQSPW-UHFFFAOYSA-N 315.377 -0.733 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC(NC(=O)c2ncccc2OC)C1 1753391964 HJLUQDFZUOIVHV-LLVKDONJSA-N 316.361 -0.358 30 20 DBED C#CCO[C@@H](C)C(=O)N(CC)[C@H]1CCN(Cc2nc(O)n[nH]2)C1 1753455538 KSOFZZOWRFFXHL-RYUDHWBXSA-N 321.381 -0.029 30 20 DBED C=CCNC(=O)CN[C@@H](CC)CNC(=O)c1cnnc(O)c1 1753479589 SCIOGAFZLSGBEA-NSHDSACASA-N 307.354 -0.418 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H](CC)CNC(=O)c1ccncn1 1753490612 AVCYJZDBRAGWQU-RYUDHWBXSA-N 303.366 -0.288 30 20 DBED C=C(C)CNC[C@@H](O)CNC(=O)Cc1c(C)nc(O)nc1O 1753932702 UNAXLTZGKKPBTR-SNVBAGLBSA-N 310.354 -0.618 30 20 DBED CC#CCNC[C@H](O)CNC(=O)c1cc2c(O)ncnc2cn1 1753935729 WJYWDXVBPXTFPI-JTQLQIEISA-N 315.333 -0.566 30 20 DBED C=CCNC(=O)[C@@H](C)NCC[C@H](C)NC(=O)c1nnn(C)c1C 1753954258 GEFDWBFXELVTIG-WDEREUQCSA-N 322.413 -0.088 30 20 DBED C=CCNC(=O)CNC/C=C\CNC(=O)c1ccc(C)nn1 1754119152 IFMVZRPTSQNKKU-PLNGDYQASA-N 303.366 -0.037 30 20 DBED COc1ccc(C(=O)NC/C=C/CNCC(=O)NCC#N)nn1 1754190689 PJMFHEHQHVUYKS-NSCUHMNNSA-N 318.337 -0.999 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@@H](NC(=O)c1cccnn1)C1CC1 1754455232 ORIFCTAPKFYCSY-SMDDNHRTSA-N 315.377 -0.288 30 20 DBED C[C@H](O)CNC1(CNC(=O)CSCC#N)CCOCC1 1754734570 SMLXUNBTAWAGMQ-NSHDSACASA-N 301.412 -0.121 30 20 DBED C[C@@H]1CN(C(=O)CSCC#N)C[C@@H]1CNCc1nnnn1C 1754814180 VZZWXXFKYLJHRA-MNOVXSKESA-N 323.426 -0.349 30 20 DBED CCC(=O)NCC(=O)N[C@H]1COC2(C1)CN(CC#CCOC)C2 1755057857 AWHJWHUGBZZWPW-CYBMUJFWSA-N 323.393 -0.878 30 20 DBED C#CCNCC1CC(NC(=O)[C@@H](NC(=O)COC)C(C)C)C1 1755217955 TWKRQPXOBFFZIG-PIMMBPRGSA-N 309.410 -0.109 30 20 DBED C=C[C@](C)(O)CC(=O)NC1(CCO)CN(Cc2cn(C)nn2)C1 1755331844 SODCABLWRMSJNQ-AWEZNQCLSA-N 323.397 -0.805 30 20 DBED C#CCNC(=O)CN[C@H](C)CN(C)C(=O)CCc1cnn(C)c1 1755617745 DFIRKWBOZLVYIK-CYBMUJFWSA-N 319.409 -0.461 30 20 DBED CCc1cc(C(=O)NC[C@@H](CO)NCC#CCOC)c(C)nn1 1755635951 WUODMWUTBQXRMH-AWEZNQCLSA-N 320.393 -0.322 30 20 DBED N#CCSCC(=O)NCC1(NC(=O)C(N)=O)CCCCC1 1756111685 DIVMJODSYYXQIQ-UHFFFAOYSA-N 312.395 -0.336 30 20 DBED C[C@H](NC(=O)C#CC1CC1)C1CN(C(=O)[C@H]2CNC(=O)N2)C1 1756149545 FCAIPIGSKMMQIF-JOYOIKCWSA-N 304.350 -0.956 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H](CO)NC(=O)c1ccccc1O 1756520851 FPRBHKJFLDJHRH-NEPJUHHUSA-N 320.345 -0.363 30 20 DBED NC(=O)NCCC(=O)N[C@H]1CC[C@H](CNC(=O)C#CC2CC2)C1 1756641191 AXNUJAUIXYNRPZ-STQMWFEESA-N 320.393 -0.141 30 20 DBED CC(=O)NCC(=O)N1CCCO[C@@H](CNC(=O)C#CC(C)C)C1 1756842230 YTTQTTZKDUYMBR-AWEZNQCLSA-N 323.393 -0.484 30 20 DBED O=C(C#CC1CC1)NC[C@H]1C[C@@H](NC(=O)CNC(=O)C2CC2)C1 1757318095 NWRLISMNHMTPNY-XBXGTLAGSA-N 317.389 -0.063 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc[n+]([O-])c1)CCO2 1783048395 ZUBUUMMCTIKDAC-INIZCTEOSA-N 315.329 -0.603 30 20 DBED CN(C)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC#N 1795083756 XBVUEPZBSPZQET-JJLQDPRZSA-N 308.382 -0.559 30 20 DBED CC(C)(C)[C@@H](O)C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1841317110 IANQCILQEYMFGP-ZDUSSCGKSA-N 322.361 -0.315 30 20 DBED C#CCCC(=O)N1CC2(CCCN2C(=O)[C@@H]2CNC(=O)C2)C1 1846001561 VAGVWFYJAOXAQW-LBPRGKRZSA-N 303.362 -0.261 30 20 DBED C[C@H](S)C(=O)N1CCCC12CN(C(=O)Cn1cncn1)C2 1846367847 UOKZABVJYBYVMH-JTQLQIEISA-N 309.395 -0.200 30 20 DBED CCOC(=O)[C@@H]1CCCN(c2c(C#N)c(=O)n(C)c(=O)n2C)C1 54358092 ADZWKLBXUWKZNW-SNVBAGLBSA-N 320.349 -0.265 30 20 DBED C#CCOCCC(=O)NC[C@H]1CCC[C@H]1NS(C)(=O)=O 156234915 ZTVPNDQLFSIARQ-VXGBXAGGSA-N 302.396 -0.140 30 20 DBED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc2[nH]ncc2c1 179765883 FXQJIJHNECHKMV-UHFFFAOYSA-N 301.306 -0.080 30 20 DBED CC[C@@H](O/N=C(\N)C1=C(N)C2(CCCC2)N(C)C1=O)C(N)=O 274101551 WMWWLKKBTUMUTN-MRVPVSSYSA-N 309.370 -0.463 30 20 DBED C[C@@H](/N=C(/O)C1(C)COC1)C(=O)N1CCS(=O)(=O)CC1 329336587 PGZMQDVZEJEQHC-SECBINFHSA-N 304.368 -0.375 30 20 DBED CC(C)N1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 336912605 JMAIGYHNOQIFSN-LBPRGKRZSA-N 302.400 -0.518 30 20 DBED C[C@]1(CO)CCC[C@@H]1NS(=O)(=O)N1CCO[C@H](C#N)C1 337086213 DXRPPJHWVWEHHZ-GRYCIOLGSA-N 303.384 -0.404 30 20 DBED N#C[C@H]1CN(S(=O)(=O)N2CCc3ncsc3C2)CCO1 337148883 HOPLJIQTFYKOIZ-VIFPVBQESA-N 314.392 -0.030 30 20 DBED CC(C)n1cc(C#N)c(NC(=O)C(=O)N[C@H]2CCO[C@H]2C)n1 341546280 HELWHURAXIQWDM-ONGXEEELSA-N 305.338 0.568 30 20 DBED C=CCN1CC[C@H](n2cc([N+](=O)[O-])cc(C(N)=O)c2=O)C1=O 347687363 PDXZWDULMJPPPZ-JTQLQIEISA-N 306.278 -0.185 30 20 DBED COC(=O)[C@](C)(O)CNC(=O)COc1ccc(C#N)cc1OC 358912155 YHQUTULIIILCEZ-OAHLLOKOSA-N 322.317 -0.014 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 374109591 VWOYJNRODWAVNF-BMIGLBTASA-N 306.366 -0.566 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N1CCS(=O)(=O)[C@@H](C)[C@H]1C 407956491 MCZPJXIOAGINRT-MXWKQRLJSA-N 323.440 -0.170 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H]1CCCS(=O)(=O)C1 407958589 RWBJRYUVFSRURJ-NXEZZACHSA-N 309.413 -0.511 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@](O)(CC)C2)C1=O 428729225 MTKWZSGKYOGPSZ-CQSZACIVSA-N 309.322 -0.663 30 20 DBED CN(C)C(=O)CNC(=O)C(=O)N(CCC#N)Cc1cccnc1 446450619 DHAPIYVSGLIVML-UHFFFAOYSA-N 317.349 -0.472 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)CN2CCSC2=O)CC1 491167590 YWVWJBNKEIJQGT-UHFFFAOYSA-N 324.406 -0.951 30 20 DBED N#C[C@@H]1CN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)CCO1 517984973 BTRWRDUHFXMKKH-MRVPVSSYSA-N 312.307 -0.029 30 20 DBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)CNC(=O)C1CC1 540453819 JKUPABFONNFYGD-UHFFFAOYSA-N 304.354 -0.219 30 20 DBED CN1CCN(C(=O)C(=O)N2CCC(CCC#N)CC2)[C@H](CN)C1 584291950 NZJYMZBCROXZQT-CQSZACIVSA-N 321.425 -0.370 30 20 DBED COC(=O)[C@@H]1C[C@H](O)CN(CC(=O)N(CCC#N)CCC#N)C1 592198188 HKAJNAMAWAPQJE-OLZOCXBDSA-N 322.365 -0.502 30 20 DBED C[C@@H]1CN(C(=O)C(=O)Nc2ccn(CCC#N)n2)C[C@@]1(C)CO 595210768 HQIHMUUESOKBFJ-ABAIWWIYSA-N 319.365 0.212 30 20 DBED C[C@@H]1CCN(C(=O)C(=O)NC2CCN(CC#N)CC2)C[C@@H]1CO 598680370 YCJKLOAMORQQBN-CHWSQXEVSA-N 322.409 -0.433 30 20 DBED CNC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2CC#N)CCO1 601388047 MPQWXYJXBUJZIH-GFCCVEGCSA-N 323.374 -0.112 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N(C)[C@]1(CO)CCOC1 601427132 VUNOXFQIXDIITJ-RYUDHWBXSA-N 305.400 -0.204 30 20 DBED COC(=O)CNC(=O)[C@@H](C)N1CCN([C@@H](C#N)C(C)C)CC1 609537535 AJRZKWKJKOSQRT-OLZOCXBDSA-N 310.398 -0.170 30 20 DBED C=CCn1cc(CNC(=O)Cn2nc3n(c2=O)CCCC3)nn1 650109122 LSWHWOQQVWTTKF-UHFFFAOYSA-N 317.353 -0.525 30 20 DBED C=CCOC[C@@H]1NC(=O)N(Cc2nc(C(N)=O)cs2)C1=O 656846019 VESOQDSBIYUKRS-ZETCQYMHSA-N 310.335 -0.135 30 20 DBED N#CCCCS(=O)(=O)N(CCN1CCOCC1)CC(=O)O 739073074 PEIBZSAQKIOENF-UHFFFAOYSA-N 319.383 -0.661 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N1CCS(=O)(=O)C[C@@H]1C 783012137 RHPZFHFRSXNLMN-JTQLQIEISA-N 324.424 -0.584 30 20 DBED C=CCN1CC[C@H](OC(=O)CN2CCS(=O)(=O)CC2)C1=O 798594710 JIPRIIJOSQIAFY-NSHDSACASA-N 316.379 -0.953 30 20 DBED C=CCOCCNC(=O)CNc1ccc(-c2nn[nH]n2)cn1 823925617 MZIVOGQQSKWWCO-UHFFFAOYSA-N 303.326 -0.008 30 20 DBED CC(C)(C)NC(=O)NC(=O)Cn1cnc(-c2nn[nH]n2)c1C#N 824094400 TULHMDYJGTWTAZ-UHFFFAOYSA-N 317.313 -0.441 30 20 DBED C=CCS(=O)(=O)CCNS(=O)(=O)CCCN1CCCC1 867088385 PYRFWKXKLDNKMF-UHFFFAOYSA-N 324.468 -0.008 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)CN(C)CC(C)(C)C)CC1 874342821 LCKJJEDFRIYQTD-UHFFFAOYSA-N 322.453 -0.142 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N1C[C@@H](C)[C@H](C(=O)OC)C1 875597241 HWYNOHGLNQOPIC-JHJVBQTASA-N 324.377 -0.202 30 20 DBED C#CCN1CCN(C(=O)COc2cn(C)nc2C(C)=O)CC1 902618834 IGOQUXGZNHLXHR-UHFFFAOYSA-N 304.350 -0.221 30 20 DBED COCCNC(=O)[C@H](C#N)C(=O)c1ccc(OCC(N)=O)cc1 916892857 RHECDDNBWPXGEW-GFCCVEGCSA-N 319.317 -0.364 30 20 DBED C#CC1(O)CN([C@@H](C)C(=O)N2CCC(C(=O)OCC)CC2)C1 934442704 ZIQFENHZWSDPBS-LBPRGKRZSA-N 308.378 -0.144 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](NC(=O)c2cccnc2C(N)=O)C1 940808302 SIEXWVCBUUPKNY-NXEZZACHSA-N 315.333 -0.329 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)Cn3nccn3)C2)cn1 941881446 DYZQQTDTWXPMMV-CQSZACIVSA-N 324.344 -0.315 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)CC(N)=O 943923259 KLVMLQWIPJOSMH-UPJWGTAASA-N 323.393 -0.050 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@H](CNC(=O)c2cccnn2)C1 944744626 VWSXQPZWDOZOHK-WDEREUQCSA-N 303.322 -0.407 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H]2CCC[C@@H]2NC(=O)C(N)=O)c1 946294855 TVNLIUQJHPCXHU-ZJUUUORDSA-N 303.322 -0.614 30 20 DBED C#CCN1CC[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)C[C@H]1C 947925068 JMQACJUKYYZMHH-VXGBXAGGSA-N 306.366 -0.517 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCN1C(=O)CC(N)=O 950216615 NMUAFYCZPKVINU-SUNKGSAMSA-N 309.366 -0.440 30 20 DBED C=CCN1CC(N(CC)C(=O)[C@H]2CCN(C)S2(=O)=O)C1 952446701 VTKMGGSQNZYMIT-GFCCVEGCSA-N 301.412 -0.261 30 20 DBED C#Cc1ccc(C(=O)N(C)C2CN(C(=O)c3nc[nH]n3)C2)nc1 954918117 YUHJWGPPGGYJPX-UHFFFAOYSA-N 310.317 -0.222 30 20 DBED C[C@H](C#N)C(=O)N1CCC(C)(NC(=O)[C@H]2COC(=O)N2)CC1 956357566 WBVYRCBEGLPVHK-NXEZZACHSA-N 308.338 -0.248 30 20 DBED CC#CCN1C[C@@H](O)[C@@H](CNC(=O)c2coc(C(N)=O)c2)C1 958281315 JQYJGGUIZWGXOF-NWDGAFQWSA-N 305.334 -0.576 30 20 DBED C#CCOc1ncccc1C(=O)NC[C@@H]1CN(CCO)C[C@H]1O 958593625 ATJWBUFCMCQJDD-TZMCWYRMSA-N 319.361 -0.892 30 20 DBED C=CCCn1cc(C(=O)N(C)[C@H]2CN(C(=O)CC)C[C@@H]2O)nn1 958856020 HDMOIWZZAXHIJZ-STQMWFEESA-N 321.381 -0.092 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)C[C@H]3CCC(=O)N3)C[C@@H]2C1 961912171 ZPGOXSLMQSGNQY-FVCCEPFGSA-N 318.377 -0.268 30 20 DBED CN(C(=O)Cn1ncn(C)c1=O)C1CCC(NCC#N)CC1 963599436 UJNXCMPOPXVZPK-UHFFFAOYSA-N 306.370 -0.535 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CCCN(C(=O)C(N)=O)CC2)[nH]1 964849919 FURLKPJFSHRJEE-SECBINFHSA-N 303.322 -0.517 30 20 DBED Cn1nnc(C(=O)N2C[C@@H]3CC[C@H](C2)N3C(=O)C#CC2CC2)n1 968993793 XVQHMZFARGMREL-TXEJJXNPSA-N 314.349 -0.561 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)c1c[nH]c(=O)cn1 969767016 DMUDBNUNYDZVHS-GARJFASQSA-N 315.333 -0.255 30 20 DBED C#Cc1ccc(C(=O)NCC2[C@@H]3CN([C@H](C)C(N)=O)C[C@@H]23)nc1 978993535 QLYJPDDVNPBYTD-SWHYSGLUSA-N 312.373 -0.156 30 20 DBED C#CCN[C@H]1CCC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C1 981538941 SDIQKLJKJRGZQR-WDEREUQCSA-N 304.354 -0.973 30 20 DBED CN1CCOC[C@@H]1C(=O)NC[C@H]1CCN(C(=O)C#CC2CC2)C1 982742158 LMHQEQZDCCFHSK-HUUCEWRRSA-N 319.405 -0.305 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CCC[C@@H](NC(=O)C(N)=O)C2)nc1 983672252 SRAUYVJKDOZIGR-VXGBXAGGSA-N 314.345 -0.295 30 20 DBED C=C(Cl)CN[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)[C@H]1C 987481660 KYOANJYNYGQYOV-VHSXEESVSA-N 314.773 -0.130 30 20 DBED C#CCN[C@@H]1C[C@H](C)N(C(=O)c2cc(=O)n3[nH]cnc3n2)C1 989671784 DYQSQEKPMVAQQZ-VHSXEESVSA-N 300.322 -0.757 30 20 DBED C[C@@H]1C[C@H](NCC#N)CN1C(=O)CN1C(=O)NC(C)(C)C1=O 989752182 KWAYRDWUCVIUGZ-ZJUUUORDSA-N 307.354 -0.581 30 20 DBED Cc1nonc1CC(=O)N1CC(NC(=O)c2c[nH]c(C#N)c2)C1 990930212 DHUDUPHCXXKQMM-UHFFFAOYSA-N 314.305 -0.239 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@@H](NC(=O)C(F)F)[C@@H](O)C2)c1 991168865 UICNRALYEZSWGI-SCZZXKLOSA-N 312.276 -0.157 30 20 DBED C[C@H]1[C@H](NC(=O)CN2CCN(C)C(=O)C2)CCCN1CC#N 993519425 JXBKTSYYDVWWLM-QWHCGFSZSA-N 307.398 -0.747 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCc1cn(C2CN(C(C)=O)C2)nn1 994695366 IFZGAGHLNZJFCS-KGLIPLIRSA-N 319.365 -0.111 30 20 DBED Cn1c(O)ncc(C(=O)N2C[C@@H](NCC#N)C(C)(C)C2)c1=O 996123196 YMBMSMQMSMOTCU-SNVBAGLBSA-N 305.338 -0.550 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)c3c[nH]c(=O)cn3)C2)cn1 997102494 SGHAHJRRWHCFIC-UHFFFAOYSA-N 323.312 -0.599 30 20 DBED C#Cc1ccc(C(=O)N2CC(NC(=O)c3c[nH]c(=O)cn3)C2)cn1 998570043 YMNJJTODQCOZJU-UHFFFAOYSA-N 323.312 -0.599 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)c2cnc(O)n2C)C1 1000016375 AZQIQGVPBOUGEW-PWSUYJOCSA-N 320.349 -0.343 30 20 DBED C#Cc1ccc(C(=O)NCC2CN(C(=O)Cn3ncnn3)C2)cc1 1003535984 JZMVHCQFSGSQQV-UHFFFAOYSA-N 324.344 -0.457 30 20 DBED C=CCN1CCC2(CC1)C[C@H]2NC(=O)Cn1cnc(C(N)=O)n1 1016630735 IQTIBEAPXTUHIS-LLVKDONJSA-N 318.381 -0.466 30 20 DBED C=CCN1CC[C@@H](N2CCC3(CC2)C[C@H]3NC(=O)C(N)=O)C1=O 1016803611 OBPOZANBIWOBAM-VXGBXAGGSA-N 320.393 -0.771 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCCO[C@@H](CNC(C)=O)C1 1019493452 ZMPGDKQMKRRRRK-GJZGRUSLSA-N 307.394 -0.162 30 20 DBED Cc1nonc1C(=O)NC[C@@H]1CN(C(=O)[C@@H](C)C#N)CCCO1 1019612944 FRIQQBRNJNAWIQ-GXSJLCMTSA-N 321.337 -0.115 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2n[nH]c3c2CCC3)C1 1024542039 JMMLCGJCBOONCI-GGZOMVNGSA-N 317.349 -0.640 30 20 DBED COc1ccnc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2O)c1 1024988369 QFTJQHMRDRYUDT-ZWKOPEQDSA-N 318.333 -0.449 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)[C@H]1CCNC(=O)C1 1026322617 CJBDHDUSSPCZNW-KWCYVHTRSA-N 317.389 -0.111 30 20 DBED C#CCN1CCC(C(=O)NC[C@@H]2CCCN2CC(N)=O)CC1 1028333748 QHZNXBMSBCEZNS-AWEZNQCLSA-N 306.410 -0.603 30 20 DBED CN(C(=O)c1ccc(S(N)(=O)=O)o1)[C@H]1CCN(CC#N)C1 1033233305 YEMZWFDUMKQRCI-VIFPVBQESA-N 312.351 -0.403 30 20 DBED N#CCN1CCO[C@H](CNC(=O)c2cccn3nnnc23)C1 1035387057 JUMUVMGBERPOSB-SNVBAGLBSA-N 301.310 -0.922 30 20 DBED CC#CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)Cn1ccc(O)nc1=O 1037494217 WAGZUIIXIHQHGR-UHIISALHSA-N 302.334 -0.839 30 20 DBED C=CCN[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)C[C@H]1CC 1037988943 ZEIQAHLIQYLJFU-NEPJUHHUSA-N 308.382 -0.059 30 20 DBED C#CCNC1C[C@@H]2CCC[C@H](C1)N2C(=O)CN1CCNC(=O)C1 1039289838 LMOLIVQYQWMRCL-GOOCMWNKSA-N 318.421 -0.447 30 20 DBED N#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C1CC(=O)NC(=O)C1 1039452971 ZWSWSFOFWNXPGX-NEPJUHHUSA-N 304.350 -0.372 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)c2ccsn2)C1 1040169741 PZGSGZOWAKEAGC-RNCFNFMXSA-N 308.363 -0.004 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)c2ccccc2O)C1 1041543908 UOUMYWBNCGBNPT-SNVBAGLBSA-N 303.318 -0.145 30 20 DBED N#CCN1CC[C@]2(CCN(C(=O)Cn3c(O)nnc3O)C2)C1 1041804984 FQQCXSBFFCNIPZ-ZDUSSCGKSA-N 306.326 -0.863 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)c2cn(CCC)nn2)C1 1041960304 MAICWGZOSIZSIH-UHFFFAOYSA-N 321.381 -0.043 30 20 DBED CC#CCN1CC[C@H]2CCN(C(=O)C3CS(=O)(=O)C3)C[C@H]21 1042079005 ZVAPJBUBMZHUNY-GXTWGEPZSA-N 310.419 -0.023 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)CO[C@@H]2CCOC2)C1 1042799706 TWYWGVNVWOWEDR-CYBMUJFWSA-N 324.377 -0.715 30 20 DBED Cc1n[nH]cc1C(=O)N1CC(O)(CNC(=O)C#CC(C)C)C1 1042943842 YUUHVLGVVOGPJF-UHFFFAOYSA-N 304.350 -0.319 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)CCC(F)F)C1 1043035918 GMKOYUMHRAMRJP-UHFFFAOYSA-N 318.320 -0.239 30 20 DBED CC#CCN1CC(N(C)C(=O)C2CC3(C2)CS(=O)(=O)C3)C1 1043078895 KZXRYQZTGSBHHG-UHFFFAOYSA-N 310.419 -0.023 30 20 DBED CC(C)N(C)CC(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1043426608 BMSJSEABMCPRAP-UHFFFAOYSA-N 307.394 -0.571 30 20 DBED C[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)C[C@H]1N=c1cc[nH]cc1C#N 1043475861 YDMDYKKCCAWUSZ-JIMOISOXSA-N 314.349 -0.685 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)[C@H]2CCCN2C(C)=O)C1 1043550472 GXHPDQSABNOBLO-CYBMUJFWSA-N 323.393 -0.347 30 20 DBED Cn1cccc1C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1043863753 FATUARVOISBVNV-YPMHNXCESA-N 312.333 -0.334 30 20 DBED C=CCN1CC[C@@H](N2CC(N(C)C(=O)c3cnn(C)n3)C2)C1=O 1044050712 WMEKKXRQSITLAJ-CYBMUJFWSA-N 318.381 -0.642 30 20 DBED C=CCOCCCC(=O)N1CC(O)(CNC(=O)c2cnco2)C1 1044119015 RHQMGWWOHKJSQE-UHFFFAOYSA-N 323.349 -0.040 30 20 DBED C#CCN[C@@H]1CCN(C(=O)CCc2nnc(O)nc2O)[C@H](C)C1 1044657065 KRDGWKZUVKSQIM-GHMZBOCLSA-N 319.365 -0.182 30 20 DBED CC#CCN1[C@H]2CC[C@H]1CN(C(=O)C[C@@H]1NC(=O)NC1=O)CC2 1045796341 NJFJUMGDXZTEMD-AVGNSLFASA-N 318.377 -0.327 30 20 DBED C#CCN1CC[C@@H](N2CCN(C(=O)C[C@@H]3CCNC3=O)CC2)C1 1046035561 PBKRKKVTOSEYJB-LSDHHAIUSA-N 318.421 -0.636 30 20 DBED CC#CCN1CC[C@H](N2CCN(C(=O)c3[nH]nnc3C)CC2)C1 1046050836 QQLBBWQURZOLEJ-AWEZNQCLSA-N 316.409 -0.031 30 20 DBED C=C(C)CN1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CCC(=O)NC2)C1 1047406396 DQAFFMYSWUFSDK-IHRRRGAJSA-N 309.410 -0.018 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(=O)n(CC)n2)C1 1047567607 OVGSIXYCBBRANW-STQMWFEESA-N 306.366 -0.434 30 20 DBED C#CCN1C[C@H]2CN(C(=O)[C@H]3C[C@H](OC)CN3C(C)=O)C[C@H]2C1 1048960680 HYEUTEYCAXQCGV-XUWVNRHRSA-N 319.405 -0.354 30 20 DBED CCc1cc(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)C#N)C2)n[nH]1 1049388232 HIEHLFJZSLGFAJ-ICCXJUOJSA-N 319.365 -0.225 30 20 DBED N#CCN1CCOC[C@H]1CNC(=O)c1cnn2cccnc12 1051059155 YOGYFPZZTAAWPP-LLVKDONJSA-N 300.322 -0.317 30 20 DBED CC#CCN1CCOC[C@H]1CNC(=O)[C@H]1C[C@H]1C(=O)N(C)C 1051117886 JPMGKTLXIXNIQG-HZSPNIEDSA-N 307.394 -0.449 30 20 DBED COc1nccc(CNC[C@@H]2CN(C(=O)[C@H](C)C#N)CCO2)n1 1051496005 ZRALBWTVNGTFOP-DGCLKSJQSA-N 319.365 -0.038 30 20 DBED C#Cc1cncc(C(=O)N2CC[C@H]([C@@H](C)NC(=O)C(N)=O)C2)c1 1051551124 RXGMGFDYBDBQTM-PWSUYJOCSA-N 314.345 -0.485 30 20 DBED N#CCN1CCN([C@@H]2CCN(C(=O)[C@@H]3CCC(=O)NC3)C2)CC1 1052048452 UMEYSZJXUIEFMC-ZIAGYGMSSA-N 319.409 -0.745 30 20 DBED C#CCOCCC(=O)N1C[C@@H](C)[C@@H](CNC(=O)c2cnn[nH]2)C1 1052591818 DRWIFFAPDTUZDE-NEPJUHHUSA-N 319.365 -0.331 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(C(=O)c2cnn[nH]2)C[C@@H]1C 1052930528 YIHIAUMVLIXGSH-NWDGAFQWSA-N 319.365 -0.331 30 20 DBED Cn1nc(C(=O)NC[C@H]2CCC3(CN(CC#N)C3)O2)ccc1=O 1053696174 BQGWSMFZAITDCV-LLVKDONJSA-N 317.349 -0.733 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)CN3CCCCC3=O)CO2)C1 1053856206 DSEXGJVDKKKDKI-CQSZACIVSA-N 319.405 -0.018 30 20 DBED C=CCCN1CC2(C[C@@H](NC(=O)[C@H]3CN(C)C(=O)N3)CO2)C1 1053892559 YCHNOLONAZSFKQ-VXGBXAGGSA-N 308.382 -0.454 30 20 DBED CN1C[C@@H](C(=O)N[C@H]2COC3(C2)CN(CC#N)C3)CCC1=O 1054017739 KPCTUFBMHUSGBN-NWDGAFQWSA-N 306.366 -0.662 30 20 DBED C#CCCCC(=O)N1C[C@H]2CN(C(=O)[C@H](C)NC(N)=O)C[C@H]2C1 1055302256 CGDKVZMGPNKHFH-RWMBFGLXSA-N 320.393 -0.237 30 20 DBED CCn1nncc1C(=O)N1CCN(c2cncc(C#N)n2)CC1 1055798900 MOQLVMWOQUTVSM-UHFFFAOYSA-N 312.337 -0.078 30 20 DBED CN1CC[C@H](C(=O)N2CCN(c3cncc(C#N)n3)CC2)C1=O 1055973570 OFTQYELOKIQCKL-LBPRGKRZSA-N 314.349 -0.525 30 20 DBED CN1C(=O)CC[C@H]1C(=O)N1CCN(c2ccnc(C#N)n2)CC1 1055978221 ROSMBKQNXCOSFV-NSHDSACASA-N 314.349 -0.382 30 20 DBED Cn1cc(C(=O)NC2[C@H]3CN(c4nccnc4C#N)C[C@H]23)cn1 1056133454 AIYXAXJVPFFIKC-QWRGUYRKSA-N 309.333 -0.054 30 20 DBED N#Cc1ccc(N2C[C@@H]3C(NC(=O)Cc4nc[nH]n4)[C@H]3C2)nc1 1056297727 PSIACJXMBOEJNQ-QWRGUYRKSA-N 309.333 -0.135 30 20 DBED C=CCCO[C@H](C)C(=O)N1C[C@@H]2CCCN(C(=O)C(N)=O)[C@@H]2C1 1056711285 MRUOLPMAWXYZAH-FRRDWIJNSA-N 323.393 -0.098 30 20 DBED CN(c1nccnc1C#N)[C@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 1056997985 MPZZYSVRTRAYPQ-QWRGUYRKSA-N 314.349 -0.479 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)C1=CCOCC1 1057408491 HAKHGEWJZUCOOR-UHFFFAOYSA-N 308.378 -0.070 30 20 DBED Cn1cc(C(=O)N[C@H]2CCCN(c3ccnc(C#N)n3)C2)nn1 1058155658 MUDCRXJWOAWYTH-JTQLQIEISA-N 312.337 -0.124 30 20 DBED CN1CCO[C@@H](C(=O)N[C@@H]2CCN(c3cnc(C#N)cn3)C2)C1 1058316795 HRJAYSQULOOTRE-DGCLKSJQSA-N 316.365 -0.626 30 20 DBED Cc1[nH]nc(C(=O)NCCN(CCO)C(=O)[C@H](C)C#N)c1C 1058653228 POQYEJWBOIUNHP-SECBINFHSA-N 307.354 -0.263 30 20 DBED C[C@@H](C#N)C(=O)NCC[C@H]1CCN(C(=O)CCNC(N)=O)C1 1059631723 KHSMYHPFUWLNKP-QWRGUYRKSA-N 309.370 -0.441 30 20 DBED CNC(=O)NCC(=O)N1CC2(CCN(C(=O)[C@@H](C)C#N)CC2)C1 1061030436 XJIZFTIOKUWWEJ-NSHDSACASA-N 321.381 -0.474 30 20 DBED C#CCO[C@H](C)C(=O)N1CCOC[C@@H]1CNC(=O)c1cc[nH]n1 1061331904 OTOHBAFKVNJBCG-NEPJUHHUSA-N 320.349 -0.595 30 20 DBED COCCOCC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H](C)C#N 1061845535 ISXIVFLEAWMEMX-RYUDHWBXSA-N 313.354 -0.847 30 20 DBED N#Cc1ccc(NC[C@H]2CCCN2C(=O)[C@H]2CCNC2=O)nn1 1063538765 DWLFZJLAVAFCJO-NEPJUHHUSA-N 314.349 -0.113 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2ccon2)CCO1 1064911372 FJQKLZLHWVAYAN-NSHDSACASA-N 309.322 -0.166 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)[C@H]2COC(=O)N2)CCO1 1065104121 BTQUDHUSLZKNBC-GHMZBOCLSA-N 311.338 -0.595 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CN(C(=O)Cn2ccnc2)CCO1 1065305229 KSIHDCZRNMNAOF-VXGBXAGGSA-N 305.338 -0.614 30 20 DBED NC(=O)CCCC(=O)N1CCO[C@H](CNC(=O)C#CC2CC2)C1 1065307396 XGGDPENPUBZWHP-CYBMUJFWSA-N 321.377 -0.601 30 20 DBED CCN(CC)CC(=O)NC[C@@H]1CN(C(=O)[C@H](C)C#N)CCO1 1065555971 CKFVTMMMLWYDHH-CHWSQXEVSA-N 310.398 -0.169 30 20 DBED C=CCOCC(=O)N[C@@H]1CCCN(C(=O)Cn2nccn2)CC1 1065986957 JMPCWTSTJAMPCP-CYBMUJFWSA-N 321.381 -0.022 30 20 DBED CNC(=O)NCC(=O)N1CCC[C@H](NC(=O)[C@@H](C)C#N)CC1 1066481208 LDALXWDKTBJCRI-QWRGUYRKSA-N 309.370 -0.428 30 20 DBED Cc1nn[nH]c1C(=O)N1C[C@H](C)[C@H](N=c2cc[nH]c(C#N)n2)C1 1067181649 XXXNPKFLBDKYPS-WCBMZHEXSA-N 312.337 -0.231 30 20 DBED N#Cc1cnccc1N1C[C@H](CNC(=O)c2cnccn2)[C@@H](O)C1 1067645753 QZUZULGZRLMMSJ-WFASDCNBSA-N 324.344 -0.030 30 20 DBED N#Cc1cccnc1N1C[C@@H](O)[C@@H](CNC(=O)c2cn[nH]c2)C1 1067652192 WOIYDBSCGJEGCF-QWHCGFSZSA-N 312.333 -0.097 30 20 DBED C=CCCC(=O)N[C@H]1COC2(C1)CN(C(=O)c1cnnn1C)C2 1068753831 UCTAEPQLWHMFKZ-LLVKDONJSA-N 319.365 -0.119 30 20 DBED CC#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2ccncn2)C1 1070057451 RXOGMNJTPWZEKI-KGLIPLIRSA-N 311.349 -0.253 30 20 DBED C#CCN[C@@H]1CN(C(=O)C[C@@](C)(O)C2CC2)C[C@@H]1n1ccnn1 1070179766 FWYNCYIWECVHCQ-IJEWVQPXSA-N 317.393 -0.196 30 20 DBED C#CCN1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2COCCO2)C1 1070397620 GFMNZYGSOMWEGA-OCCSQVGLSA-N 318.377 -0.136 30 20 DBED N#CCSCC(=O)N1CCC[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 1070452873 AKJVJWIHILWIMZ-MXWKQRLJSA-N 324.406 -0.528 30 20 DBED Cn1cncc1[C@@H]1CN(C(=O)CN2CCCC2)C[C@H]1NCC#N 1070719040 QBIOZXODHSMDNG-ZIAGYGMSSA-N 316.409 -0.077 30 20 DBED C=CCCN1C[C@H]2C[C@@H]3CN(C(=O)Cn4cnnn4)C[C@@]3(C1)O2 1070757646 XWPGIOSGCYDMDL-UMVBOHGHSA-N 318.381 -0.449 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)Cc2cnc[nH]2)CC1 1071004455 GJBRSECPKNJXDM-UHFFFAOYSA-N 303.366 -0.764 30 20 DBED C[C@H]1CN(C(=O)CCn2cnnn2)C[C@@]2(CCN(CC#N)C2)O1 1071223815 UXEXBSVUYQTQIT-JSGCOSHPSA-N 319.369 -0.721 30 20 DBED CC#CCCCC(=O)N[C@H]1CN(C(=O)CNC(N)=O)C[C@H]1C 1071555847 FOEHVAADDZQIRZ-NEPJUHHUSA-N 308.382 -0.189 30 20 DBED C#CCN1C[C@@H](NC(=O)c2cnc(O)n(C)c2=O)CC[C@H]1C 1071734864 BZMPACKCQRBEQZ-MNOVXSKESA-N 304.350 -0.298 30 20 DBED C=CCCC(=O)N1C[C@H](C)[C@@H](NC(=O)Cn2c(O)nnc2O)C1 1071788248 WHBOYSIXVPEABU-UWVGGRQHSA-N 323.353 -0.381 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](C)[C@@H](NC(=O)Cn2cncn2)C1 1072049077 QJLSFYCOZPFRPH-OLZOCXBDSA-N 303.366 -0.099 30 20 DBED C=CCCOCC(=O)N1C[C@H](C)[C@H](NC(=O)Cn2cnnn2)C1 1072328774 BZBZAUVOLSELTK-NWDGAFQWSA-N 322.369 -0.771 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CCN(C(=O)c2ccnnc2)CC1 1074745892 CWRLAQPWNODEAM-NSHDSACASA-N 317.349 -0.280 30 20 DBED CC(C)C#CC(=O)NCC[C@H](C)NC(=O)C[C@@H]1CC(=O)NC1=O 1076414960 RTASPRVNBAKHCP-NWDGAFQWSA-N 321.377 -0.290 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CN(Cc3nncs3)C[C@H]2O)c[nH]1 1076906038 KYGAGINVEDSZDF-GHMZBOCLSA-N 318.362 -0.287 30 20 DBED C[C@@H](CCNC(=O)CCn1cnccc1=O)NC(=O)[C@H](C)C#N 1078149088 QTTKKNXIUDMRJI-NEPJUHHUSA-N 319.365 -0.196 30 20 DBED C[C@@H](CCNC(=O)c1ccc(=O)n(C)n1)NC(=O)[C@H](C)C#N 1078562532 PTQMDIIYZPEHTF-ZJUUUORDSA-N 305.338 -0.435 30 20 DBED C=CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)[C@@H]2CCC(=O)N2)C1 1079981047 HPTYJEHHXXHETA-YPMHNXCESA-N 323.393 -0.085 30 20 DBED C#CCCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)Cc2ccon2)C1 1081366091 UXURQDFLGVVQMV-TZMCWYRMSA-N 319.361 -0.044 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)Cc2n[nH]c(C)n2)C1 1081476288 DPFTWAINICIGIQ-NWDGAFQWSA-N 321.381 -0.443 30 20 DBED C=CC(C)(C)CC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2nc[nH]n2)C1 1081652959 HZNVUVCTLPEBSI-GHMZBOCLSA-N 321.381 -0.044 30 20 DBED C=C(C)CCC(=O)N1C[C@H](CNC(=O)C2(C(N)=O)CC2)[C@@H](O)C1 1081717120 UHTCFYSVCHTOFR-RYUDHWBXSA-N 323.393 -0.456 30 20 DBED CC#CCN1C[C@@H](NC(=O)[C@@H]2CN(C(C)C)CCO2)[C@H](OC)C1 1082058328 WRODMQBPEUNZBR-OAGGEKHMSA-N 323.437 -0.066 30 20 DBED C#CCOCCC(=O)N1CCCC[C@H]1CNC(=O)CC(=O)NC 1082074793 PEVFCZRVWQUZFJ-ZDUSSCGKSA-N 323.393 -0.340 30 20 DBED C=CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)Cn1cnnc1O 1083057594 RCMGEGOUMXECPT-NWDGAFQWSA-N 307.354 -0.529 30 20 DBED C=CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)C(=O)N1CC[C@@H](C)C1 1083244314 RKBCQXGARDUIJH-HZSPNIEDSA-N 307.394 -0.048 30 20 DBED Cc1nn2cccnc2c1C(=O)N[C@@H]1CN(CC#N)C[C@@H]1O 1084070492 PWAMIPXCLHZUNS-MNOVXSKESA-N 300.322 -0.664 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](NC(=O)c2cn(C)c(=O)n2C)C1 1084097228 JMQWFCFRYQUNRV-YPMHNXCESA-N 308.382 -0.535 30 20 DBED C#CCCN1CC[C@@H]2CN(C(=O)[C@@H]3CN(C)C(=O)N3)C[C@@H]2C1 1088066294 FEWNTPZWEVHWLS-RDBSUJKOSA-N 304.394 -0.186 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)C3CC(=O)NC(=O)C3)C[C@@H]2C1 1088140169 XFQUFTAYCHLFKK-YPMHNXCESA-N 303.362 -0.547 30 20 DBED CC(=O)NCC(=O)N[C@H]1CC[C@@H](C)N(c2cncc(C#N)n2)C1 1089116696 STMUEKXXBQNBFD-PWSUYJOCSA-N 316.365 -0.042 30 20 DBED C[C@H](NC(N)=O)C(=O)N1CC[C@H](Nc2nccnc2C#N)[C@@H]1C 1090216764 VLLHQVLVHGFJPP-GUBZILKMSA-N 317.353 -0.194 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2ccc3c(n2)OCCO3)[C@H](O)C1 1090393131 GILSLWQDZCXNOV-DGCLKSJQSA-N 317.345 -0.349 30 20 DBED C=CCN1CC[C@H](NC(=O)c2ccnc3[nH]nnc23)[C@H](O)C1 1090419021 CDAICEURXUVYSD-WDEREUQCSA-N 302.338 -0.296 30 20 DBED CO[C@@H](C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1O)C(C)C 1090534854 HGGPMEXXYKTQSI-YRGRVCCFSA-N 319.365 -0.315 30 20 DBED CC1(C)CC[C@H](CNC(=O)C(N)=O)N(c2ccc(C#N)nn2)C1 1092121591 PXPAMIVDAIGAMV-LLVKDONJSA-N 316.365 -0.055 30 20 DBED CC(C)OCC(=O)N[C@@H]1CCN(c2cncc(C#N)n2)C[C@@H]1O 1092142630 KQPVHECDMOGNKG-OLZOCXBDSA-N 319.365 -0.171 30 20 DBED CC(C)(O)CC(=O)N[C@H]1CCN(c2cncc(C#N)n2)C[C@@H]1O 1092146676 UTAOOUQJADZMFU-RYUDHWBXSA-N 319.365 -0.435 30 20 DBED CCN1C[C@H](C(=O)NCCN=c2cc[nH]cc2C#N)CC1=O 1094190678 STXAGFBIHHFKEX-LLVKDONJSA-N 301.350 -0.228 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)c3[nH]nnc3C)CC2=O)C1 1094771558 JZRPFKHCZLCHBQ-JTQLQIEISA-N 304.354 -0.686 30 20 DBED N#CCN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1ccc(O)nc1=O)C2 1094957658 CHGKNYCLIPJELU-TUAOUCFPSA-N 317.349 -0.558 30 20 DBED C[C@H](CC(N)=O)C(=O)N1CC[C@H](N(C)c2cnc(C#N)cn2)C1 1095151262 SYNLHMMDHYXTOV-PWSUYJOCSA-N 316.365 -0.103 30 20 DBED CC(C)(C(N)=O)C(=O)NC1CCN(c2ccc(C#N)nn2)CC1 1095433188 CJABZJXGNAAEIZ-UHFFFAOYSA-N 316.365 -0.055 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC[C@H](Nc2ccc3nnnn3n2)C1 1096932401 NOCUCFCJTOULSG-IINYFYTJSA-N 317.353 -0.141 30 20 DBED CNC(=O)NCC(=O)N[C@H]1C[C@@H](Nc2ccc(C#N)nc2)C1 1097259380 VPLCURXJMQLDOG-TXEJJXNPSA-N 302.338 -0.059 30 20 DBED C#CCNCc1cn([C@H]2CCN(C(=O)[C@H]3CCC(=O)N3)C2)nn1 1098636651 CKXIGXSOFUYYJG-QWHCGFSZSA-N 316.365 -0.947 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(Cc2cc(C)n(C)n2)C[C@@H]1O 1099741179 OZJKAZLRNBFBPY-GJZGRUSLSA-N 322.409 -0.017 30 20 DBED C#CCCN1CC[C@@H](NC(=O)C(C)(C)NC(=O)NCC)[C@H](O)C1 1100024977 ROCVQRWRMZPMKZ-CHWSQXEVSA-N 324.425 -0.341 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CNC(=O)C(C)(C)C)[C@H](O)C1 1100108193 RVWLMRDOVWVOMB-CHWSQXEVSA-N 309.410 -0.277 30 20 DBED CN(CCNC(=O)C[C@@H]1CCNC1=O)c1ccnc(C#N)n1 1100193340 CIFZDHLRNUQGLZ-JTQLQIEISA-N 302.338 -0.573 30 20 DBED C=CCNC(=O)CNC1CC(CNC(=O)C[C@H]2CCNC2=O)C1 1100403114 DRXYNNGRMSCUCE-OTTFEQOBSA-N 322.409 -0.701 30 20 DBED COc1cc(C(=O)NCCN(C)c2ccc(C#N)nn2)nn1C 1100414057 QORQTKLGVGOJQX-UHFFFAOYSA-N 315.337 -0.043 30 20 DBED CO[C@H](C(=O)NCC1CC(NCC(=O)NCC#N)C1)C(C)C 1100638803 DKPZDFMIESAZBM-YIZWMMSDSA-N 310.398 -0.218 30 20 DBED COCC#CCNC1CC(CNC(=O)[C@]2(C)CCNC2=O)C1 1100672969 OJJMRMLGBNWEEI-SEEARECTSA-N 307.394 -0.353 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)CCn1cncn1 1101501656 DMWWCYGEDFRCBY-UHFFFAOYSA-N 300.326 -0.678 30 20 DBED CN(CCNc1ccc(C#N)nn1)C(=O)c1ccc(C(N)=O)[nH]1 1101970001 UEFAAAOXCSJHEA-UHFFFAOYSA-N 313.321 -0.041 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)CN1CCCCC1=O 1102032357 DERLIEMPXXHLOM-UHFFFAOYSA-N 316.365 -0.347 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@@H]1CN(CCOC)C[C@H]1C 1102891147 INRIWWNJNQLTNA-ZIAGYGMSSA-N 309.410 -0.154 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)c1cn(C)c(O)n1 1104193277 GNSOPCRWKLMVOX-SECBINFHSA-N 315.337 -0.313 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)[C@H]1CCC(=O)NC1 1104263823 RUDGSDMMQRFLTN-QWRGUYRKSA-N 316.365 -0.539 30 20 DBED N#Cc1nccnc1NC[C@@H](O)CNC(=O)c1ccc(O)nn1 1105735394 QGMUHCQIYLOTSN-MRVPVSSYSA-N 315.293 -0.953 30 20 DBED Cc1nnsc1C(=O)NC[C@@H](O)CN=c1cc[nH]cc1C#N 1105744559 UGOYLLLDFMYERR-JTQLQIEISA-N 318.362 -0.262 30 20 DBED Cc1cc(C(=O)NC[C@H](O)CNc2ccc(C#N)nn2)ncn1 1105788506 LEHKZIDGVBLHFR-LLVKDONJSA-N 313.321 -0.351 30 20 DBED Cc1nonc1CC(=O)NC[C@H](O)CNc1ncccc1C#N 1105947257 ACQLOGSCEVVRRB-NSHDSACASA-N 316.321 -0.224 30 20 DBED C[C@@H]1[C@H](C(=O)NC[C@H](O)CNc2nccnc2C#N)CCN1C 1106153104 PZUFRPPNCDSJFK-IJLUTSLNSA-N 318.381 -0.423 30 20 DBED CN(CC(=O)NC[C@@H](O)CNc1ccc(C#N)nn1)C1CCC1 1106155161 VQAPLOOXXSFHAG-ZDUSSCGKSA-N 318.381 -0.278 30 20 DBED C[C@H](CN=c1cc[nH]cc1C#N)NC(=O)CN1CCOCC1 1107710715 AAOPVFQUNQQHBN-GFCCVEGCSA-N 303.366 -0.376 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)[C@H](C)OCCOC)CC2=O)C1 1108580393 LWVNPDCDRFFKBF-QWHCGFSZSA-N 323.393 -0.928 30 20 DBED C[C@H](CN(C)c1nccnc1C#N)NC(=O)CCCC(N)=O 1109013362 VNUTZBCHFXENMQ-SNVBAGLBSA-N 304.354 -0.055 30 20 DBED CC(C)N(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1110161793 TVJUJBBZXNYMMC-RDBSUJKOSA-N 321.425 -0.312 30 20 DBED N#Cc1nc(=NC[C@H](NC(=O)CC(N)=O)C2CCCC2)cc[nH]1 1110646172 DHUBLTGWSGFLRI-NSHDSACASA-N 316.365 -0.268 30 20 DBED C#CCNC(=O)CC(=O)N[C@@]1(C)CCN(c2cc(F)ncn2)C1 1110741717 LSPSQPHKBJOQRW-HNNXBMFYSA-N 319.340 -0.160 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@]1(O)CCN(c2nccc(C)n2)C1 1111098383 RGKFSNASWBAWNS-CZUORRHYSA-N 318.377 -0.119 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@]1(O)CCN(c2nccc(C)n2)C1 1111098385 RGKFSNASWBAWNS-XJKSGUPXSA-N 318.377 -0.119 30 20 DBED C[C@H](C#N)C(=O)N[C@]1(CO)CCCN(c2ccc(C#N)nn2)C1 1111342499 AGYYGNLEVAZBBV-IAQYHMDHSA-N 314.349 -0.045 30 20 DBED N#Cc1cncc(NCCN(CCO)C(=O)CCCC(N)=O)n1 1111485637 DUDRHCSUJZOUFC-UHFFFAOYSA-N 320.353 -0.763 30 20 DBED CCOCC(=O)N1CCC(O)(CN=c2cc[nH]c(C#N)n2)CC1 1112444439 BPOHVOVVMPADPJ-UHFFFAOYSA-N 319.365 -0.428 30 20 DBED Cc1cc(N2C[C@@H](O)[C@@H](CNC(=O)CSCC#N)C2)ncn1 1112725217 LAWUKFKAVXPFTO-NWDGAFQWSA-N 321.406 -0.045 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)CCc2cn[nH]c2)CC1 1113416648 SBBGPHPKORVVTA-UHFFFAOYSA-N 304.354 -0.874 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)[C@H]2CCN(C)C2)CC1 1113631948 QFIVCKQWTUPEIL-KGLIPLIRSA-N 306.410 -0.780 30 20 DBED C[C@@H](CNC(=O)C[C@@H](C)NC(N)=O)N(C)c1cnc(C#N)cn1 1113719654 IMZMPMZQSSAOLD-ZJUUUORDSA-N 319.369 -0.264 30 20 DBED Cn1cc(CN2C[C@@H]3C(NC(=O)CSCC#N)[C@H]3C2)nn1 1113896611 FSIWWTDLICSBMI-QWRGUYRKSA-N 306.395 -0.382 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1[C@@H]2CN(Cc3nnnn3C3CC3)C[C@@H]21 1114067188 OJCVNCHKTXMNNB-MVVXRAEJSA-N 301.354 -0.286 30 20 DBED N#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)Cc3cccnc3)[C@H]2C1 1114140090 ZOLINEBBBNZQTK-VIKVFOODSA-N 313.361 -0.690 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)[C@H](C)n3cncn3)[C@H]2C1 1114146608 DIDGTLYECKYGCU-IGQOVBAYSA-N 303.366 -0.465 30 20 DBED Cn1nnnc1CN1C[C@H]2[C@H](NC(=O)C#CC(C)(C)C)[C@H]2C1 1114258318 PEQNUKBDWSKZAI-YABSGUDNSA-N 302.382 -0.194 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)Cc3cc(C)nn3C)[C@H]2C1 1114558845 OTTBCDWRDAEWCF-QLPKVWCKSA-N 316.405 -0.033 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)c3n[nH]cc3F)[C@H]2C1 1114787829 YIEVTGXWFPHPPG-SVDPJWKOSA-N 321.356 -0.101 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)Cc3ncc[nH]3)[C@H]2C1 1115021289 YVNPUNSMJFLSLV-FJJYHAOUSA-N 317.393 -0.311 30 20 DBED CN(CCOCCNC(=O)c1nc[nH]n1)c1nccnc1C#N 1115226207 QQCUJKHMDHOKBV-UHFFFAOYSA-N 316.325 -0.651 30 20 DBED C[C@H](CN(C)C(=O)[C@@H]1COC(=O)N1)Nc1ccc(C#N)nn1 1115702977 PQFRYUFGFDGHPR-SCZZXKLOSA-N 304.310 -0.285 30 20 DBED C#CCCCCNC(=O)C(=O)N1CCC([C@@H](O)C(=O)OC)CC1 1117374365 DFETZUSZGIGRQR-CYBMUJFWSA-N 324.377 -0.321 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 1117529382 VSXFPFKUURBJEQ-FRRDWIJNSA-N 311.382 -0.717 30 20 DBED C=CCN(C)c1nnnn1[C@H]1CCCN(S(C)(=O)=O)C1 1120222673 APZXOYUHDZYRQF-JTQLQIEISA-N 300.388 -0.108 30 20 DBED C[C@@H](C(=O)NC[C@@H](CO)Nc1ccc(C#N)nc1)n1cncn1 1121346661 RYLGVUYYJXEECA-GWCFXTLKSA-N 315.337 -0.305 30 20 DBED N#Cc1cnc(N[C@@H](CO)CNC(=O)[C@@H]2COC(=O)N2)c(F)c1 1121386009 JZUGGKCRPLKTMS-SCZZXKLOSA-N 323.284 -0.910 30 20 DBED CN1CC[C@H](C(=O)NC[C@@H](CO)Nc2ncccc2C#N)C1 1121590118 IKEYRORJYDBORT-STQMWFEESA-N 303.366 -0.206 30 20 DBED CN1CC[C@@H](CC(=O)NC[C@@H](CO)N=c2cc[nH]cc2C#N)C1 1121806678 MWSFBBLZUVTMJA-JSGCOSHPSA-N 317.393 -0.394 30 20 DBED COCCO[C@@H](C)C(=O)NC[C@H](CO)Nc1ccc(C#N)nn1 1122014887 ZZVCAAPEMDDAOE-CMPLNLGQSA-N 323.353 -0.711 30 20 DBED N#Cc1cnc(NC[C@@H]2CC[C@H](NC(=O)CNC(N)=O)C2)cn1 1123719459 PALQJUIAPXUZAW-ZJUUUORDSA-N 317.353 -0.287 30 20 DBED CN(C[C@@H](O)CNc1cncc(C#N)n1)C(=O)[C@@H]1CCCO1 1124066382 VEGMBPZHBASHRC-RYUDHWBXSA-N 305.338 -0.242 30 20 DBED Cc1cc(C(=O)N(C)C[C@@H](O)CN=c2cc[nH]c(C#N)n2)n[nH]1 1124096770 NEUWENMTJHHUAL-JTQLQIEISA-N 315.337 -0.653 30 20 DBED CC[C@@H](OC)C(=O)N(C)C[C@H](O)CN=c1cc[nH]c(C#N)n1 1124150935 ZBHOPWVCVGMXAW-GHMZBOCLSA-N 307.354 -0.574 30 20 DBED CC[C@H](OC)C(=O)N(C)C[C@H](O)CN=c1cc[nH]c(C#N)n1 1124150937 ZBHOPWVCVGMXAW-MNOVXSKESA-N 307.354 -0.574 30 20 DBED CN(C[C@H](O)CN(C)c1nccnc1C#N)C(=O)[C@@H]1CCCO1 1124939241 HAEAKVFMCRXQGI-YPMHNXCESA-N 319.365 -0.217 30 20 DBED CN(C(=O)CCNC(N)=O)C1CC(Nc2ccc(C#N)nn2)C1 1126945622 HUNGZOVKLXYNFK-UHFFFAOYSA-N 317.353 -0.192 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1 1128657245 KKOSOKDRXOEKAT-GFCCVEGCSA-N 324.425 -0.359 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H](OC)C(C)C)C1 1129228602 ZFULNZDAXLBBBZ-RDBSUJKOSA-N 305.382 -0.076 30 20 DBED COCC#CCNCCNC(=O)c1cc2c(cn1)OCCO2 1129676249 IXTTXSDFTXLTIJ-UHFFFAOYSA-N 305.334 -0.178 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)[C@H]2C[C@@H]2C)C[C@@H]1n1ccnn1 1129961518 QMBZQCOKFJPHIS-XQLPTFJDSA-N 317.393 -0.075 30 20 DBED C#CCN1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H](C)CC(N)=O)C1 1130416095 XAMVIOWMWODZSJ-VXGBXAGGSA-N 317.393 -0.040 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1n[nH]c2c1CCC2 1130734105 IDQHRACSYPDRQP-SNVBAGLBSA-N 303.366 -0.644 30 20 DBED CNC(=O)NCCC(=O)N1C[C@H](C)O[C@@]2(CCN(CC#N)C2)C1 1131657126 FKNOLLRLZAVCFM-SWLSCSKDSA-N 323.397 -0.479 30 20 DBED C[C@H](C[C@@H](C)NC(=O)CCn1ccnn1)NCC(=O)NCC#N 1134193838 PMXUZNLRSSNJGR-VXGBXAGGSA-N 321.385 -0.819 30 20 DBED CNC(=O)NC(=O)[C@H](C)N1CCC2(CN(C(=O)[C@H](C)C#N)C2)C1 1147256239 QFHFKYVFNBWNBG-MNOVXSKESA-N 321.381 -0.476 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CN(Cc2cnn(C)n2)CCCO1 1149405387 BZXYCQODLMEPPN-AAEUAGOBSA-N 306.370 -0.318 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(CCOCCO)CCCO1 1149681319 JCHGKLZIJGNUTO-HNNXBMFYSA-N 312.410 -0.138 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)[C@@H]1CCCOC1 1152339922 MHCZMQMHNIFHOF-CHWSQXEVSA-N 310.398 -0.121 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)Cc1ccn(C)n1 1157814887 RUMOENLGDDJULI-LBPRGKRZSA-N 307.398 -0.251 30 20 DBED C#CCO[C@@H](C)C(=O)NCCCNCc1nnnn1CCC 1157880866 UQCHBNISGUOFMC-LBPRGKRZSA-N 308.386 -0.283 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)C1(N(C)C)CCC1 1159861849 SFNGLKBRQXHDGK-ZDUSSCGKSA-N 308.426 -0.296 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)c2cn(C)c(O)n2)C1=O 1165867654 HBNNWRQJSLHDAB-LLVKDONJSA-N 321.381 -0.378 30 20 DBED C=CCNCC1(CCNC(=O)[C@@H](C)NS(C)(=O)=O)CC1 1167328485 GXOTWOMQPIXFJK-LLVKDONJSA-N 303.428 -0.014 30 20 DBED C#CCCNCC1(CCNC(=O)[C@H](C)NS(C)(=O)=O)CC1 1167328742 RSFJIGGMLJSIPL-LBPRGKRZSA-N 315.439 -0.177 30 20 DBED C#CCNCC1(CCNC(=O)[C@@H]2CN(C(C)=O)CCO2)CC1 1167941116 RGMVGABZTCNDLB-AWEZNQCLSA-N 307.394 -0.257 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@@H](C)Cc1cnn(C)c1 1169593101 AOWRPYPHPQZIFJ-ZDUSSCGKSA-N 319.409 -0.556 30 20 DBED C#CCNC(=O)CN1CCO[C@@H]2CCN(C(=O)C3CC3)C[C@H]21 1176881148 BPPLWRIURLODDC-ZIAGYGMSSA-N 305.378 -0.553 30 20 DBED COCC#CCN1CCO[C@H]2CCN(C(=O)c3cnon3)C[C@H]21 1177113491 VUVWOHHZLOUVAG-KGLIPLIRSA-N 320.349 -0.365 30 20 DBED CCOCCOCC(=O)N1CC[C@H]2OCCN(CC#N)[C@H]2C1 1177157528 SJDUETDNPWJDGX-UONOGXRCSA-N 311.382 -0.135 30 20 DBED C=CCNC[C@H]1C[C@H]2CC[C@H]1N(C(=O)CN1CC(=O)NC1=O)C2 1177914013 JSGJLCMVHJQNLE-JHJVBQTASA-N 320.393 -0.059 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](NC[C@H](O)CN2CCCC2=O)[C@@H]1C 1178350762 ABIBWEKKIIFQQW-XUXIUFHCSA-N 322.409 -0.292 30 20 DBED C#CCN[C@H]1CCN(C(=O)[C@@H](C)NS(=O)(=O)CC)[C@H]1C 1178753397 MGLCWLUPRSCVIX-WOPDTQHZSA-N 301.412 -0.474 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)c2cc(C)n(C)n2)C1 1181302718 VDHRGUDNMDYEKN-GFCCVEGCSA-N 305.382 -0.165 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2ccnc(F)c2)C1 1181413276 YJKGBIDDCLJTSG-GFCCVEGCSA-N 304.325 -0.226 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@@H](C)[C@](C)(CNCC(=O)NC)C1 1181433768 UTLRITVEAVBVEC-XJKCOSOUSA-N 309.410 -0.155 30 20 DBED COCC(=O)N[C@H](C)C(=O)N1C[C@@H](C)[C@](C)(CNCC#N)C1 1181563328 DKNXNZAFIZTNHG-LALPHHSUSA-N 310.398 -0.265 30 20 DBED CNC(=O)NC(=O)[C@H](C)N[C@@H]1CCN(C(=O)C#CC2CC2)C1 1182414249 IFXWDTJJKYNAEU-CMPLNLGQSA-N 306.366 -0.566 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H]2CN(Cc3cnon3)C[C@H]21 1187591434 LRWDMXVWMOIPJA-WCQYABFASA-N 317.349 -0.758 30 20 DBED COC[C@@H](C)CC(=O)N1CC[C@H]2CN(CC(=O)NCC#N)C[C@H]21 1189598650 RUBSSHMKSXUSTC-MELADBBJSA-N 322.409 -0.169 30 20 DBED C#CCCCC(=O)N1CC[C@H](N(C)CC(=O)NC(=O)NC)C1 1189910105 LPYCSOACFQUMJM-LBPRGKRZSA-N 308.382 -0.222 30 20 DBED C#CCOCCC(=O)N1CC[C@H](N(C)Cc2ncnn2C)C1 1190122071 VOXYVHKLHNXWKW-ZDUSSCGKSA-N 305.382 -0.112 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)CC(C)(C)C)C1 1191090540 RVFVRCXELHHGMC-JHJVBQTASA-N 309.410 -0.278 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)CO[C@H]2CCOC2)C1 1192930836 BLTQFMXHIQRBFW-QJPTWQEYSA-N 304.774 -0.294 30 20 DBED C#CCNC(=O)[C@H](C)N1CCCN(C(=O)[C@H]2CCOC2)CC1 1195088911 GMFMNXNICAVCLY-KBPBESRZSA-N 307.394 -0.305 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)CCCn2ccccc2=O)C1 1195262791 OFXHQVAMJYHZLH-CHWSQXEVSA-N 304.350 -0.687 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2CN(CCC[C@H](C)O)C[C@H]2O)c1 1196046152 QIUXFVLMQREEJS-APHBMKBZSA-N 317.389 -0.001 30 20 DBED C=CCNC(=O)[C@H](C)N1CCCN(C(=O)CC(=O)N(C)C)CC1 1197389343 SXPDXSWJHFQMKE-ZDUSSCGKSA-N 324.425 -0.310 30 20 DBED Cn1ccc(C(=O)N2CCCN(CC(=O)NCC#N)CC2)n1 1198097773 HDNDOUHTVSHGIY-UHFFFAOYSA-N 304.354 -0.792 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CCN(C(=O)[C@H]2CCOC2)CC1 1199620772 AUGIVJFMEFRIKJ-OLZOCXBDSA-N 307.394 -0.259 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)Cc2cnn(C)c2)CC1 1199667163 HMFHPFVQRQMJOH-UHFFFAOYSA-N 317.393 -0.707 30 20 DBED C#CCNC(=O)CNC[C@H]1CN(C(=O)[C@H]2CC2(C)C)CCCO1 1200283652 RLVDFLYHUCJCEM-UONOGXRCSA-N 321.421 -0.011 30 20 DBED C#CCOCCC(=O)N1CCC(NCc2cnn(C)n2)CC1 1200513547 GRWAJFDZLFNPES-UHFFFAOYSA-N 305.382 -0.064 30 20 DBED C#CCNC(=O)CNC[C@H]1CN(C(=O)[C@@H](F)CC)CCCO1 1201147593 OLVSEJHLLLXNNC-STQMWFEESA-N 313.373 -0.309 30 20 DBED C#CCNC[C@@H]1CN(C(=O)[C@@H]2CCCS2(=O)=O)CCCO1 1202107465 AQYZSERBUVLNQY-OLZOCXBDSA-N 314.407 -0.596 30 20 DBED C=CCOCC(=O)N[C@@H]1C[C@H](NCC(=O)NCC#N)C12CCC2 1202635019 VYMJCGHHYLRABH-QWHCGFSZSA-N 320.393 -0.154 30 20 DBED C#CCCN[C@H]1CCCN(C(=O)CN2CCN(C)C(=O)C2)C1 1208454096 SPEGDVHUXZTRFO-AWEZNQCLSA-N 306.410 -0.636 30 20 DBED CO[C@@H]1CN([C@H](C)C(=O)N(C)C)C[C@H]1NC(=O)C#CC1CC1 1212250734 GYMSFRXHQIVIMX-MRVWCRGKSA-N 307.394 -0.308 30 20 DBED C[C@@H]1CN(C(=O)COC(C)(C)C)C[C@H]1NCC(=O)NCC#N 1214470407 XALHQKOIZVPJHC-VXGBXAGGSA-N 310.398 -0.122 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)C2CN(C(C)=O)C2)C[C@H]1C 1214513911 FHKDIWOQRVGWIW-BXUZGUMPSA-N 322.409 -0.797 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C[C@@H]2C=CCC2)C1 1219155697 NRMPBEIYKHQCDP-MCIONIFRSA-N 305.378 -0.747 30 20 DBED C#CCCCCC(=O)N[C@@H]1CN(Cc2cnnn2C)C[C@@H]1O 1219482121 LUIDVEDUFBMHBI-KGLIPLIRSA-N 305.382 -0.330 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)c2coc(C)n2)C1 1219506089 ZKMVNSRRICWYBF-NDMJEZRESA-N 322.365 -0.551 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)C2(CC#C)CCOCC2)C1 1219780638 YDSDXLCDLBDWTK-CABCVRRESA-N 304.390 -0.009 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2cnns2)C[C@@H]1O 1221145408 ANFQAECMUFKOMC-JLLWLGSASA-N 312.395 -0.210 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cnco1 1227804120 KZTWHNRXYNLZAD-GHMZBOCLSA-N 305.338 -0.055 30 20 DBED C#CCN1CCS(=O)(=O)[C@@H](CCNC(=O)c2cocn2)C1 1230436686 QTHOVJIQUVVNSE-NSHDSACASA-N 311.363 -0.473 30 20 DBED CCc1cc(C(=O)NCCCN(C)CC(=O)NCC#N)n[nH]1 1234205171 MZZGHORWCZODFN-UHFFFAOYSA-N 306.370 -0.336 30 20 DBED COCC#CCN1CC[C@@H]1CN(C)C(=O)C[C@@H]1CCNC1=O 1235280789 KTIFQHNMMZLOEW-UONOGXRCSA-N 307.394 -0.305 30 20 DBED C#CCOCCNC(=O)C(=O)N1C[C@@H](C)O[C@]2(CCCOC2)C1 1260310317 WNZWJXKRSLPWIC-CZUORRHYSA-N 324.377 -0.451 30 20 DBED CCN(CCC#N)S(=O)(=O)NCCCCS(C)(=O)=O 1261439261 FURCWUWSUGOXCP-UHFFFAOYSA-N 311.429 -0.119 30 20 DBED C=CCNC(=O)[C@H](C)NC[C@H]1CCCN1C(=O)c1nnn(C)n1 1319103542 KOWRMZAUVSVILA-WDEREUQCSA-N 321.385 -0.905 30 20 DBED C[C@@H]1CN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)C[C@@H](CO)O1 1320634672 YKXTVRMIXACTDW-XWXLAHMZSA-N 323.349 -0.489 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)NCCOc2cccnc2)CCO1 1322047220 RIKKEVUUJCVWHL-GFCCVEGCSA-N 304.306 -0.672 30 20 DBED COC(=O)c1cnn(C)c1NC(=O)C(=O)NCC(C)(C)C#N 1324951033 FTGJYQVYOVMXON-UHFFFAOYSA-N 307.310 -0.189 30 20 DBED C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)NCCC(N)=O 1326017017 WZKYYWRHOGJLOG-VIFPVBQESA-N 304.306 -0.092 30 20 DBED C=CCS(=O)(=O)CCNC(=O)Cc1nc(C2CC2)nn1C 1326364754 TVEIQDVTNBMJPF-UHFFFAOYSA-N 312.395 -0.048 30 20 DBED C[C@@H]1N(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)CCOC1(C)C 1327025067 RQHMSNMXQZLALZ-NHYWBVRUSA-N 309.366 -0.111 30 20 DBED C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCO[C@@H](C#N)C1 1327822224 NBQPDNCLTGRTNY-RDBSUJKOSA-N 322.409 -0.026 30 20 DBED COc1cc(NC(=O)C(=O)N2CC[C@](O)(CC#N)C2)ncn1 1328220585 MMGZBHIIXMOCLI-CYBMUJFWSA-N 305.294 -0.699 30 20 DBED C=CCCCCCN(C)C(=O)C(=O)NCCNS(C)(=O)=O 1328661869 KCZHSDUNQKDONF-UHFFFAOYSA-N 319.427 -0.143 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)CCN/C(O)=C1\N=CC=CC1=O 1329381463 ZJEXRXWQFCHBAY-FIKMJJSBSA-N 319.317 -0.416 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N[C@@H]1C[C@@H](OCC)[C@@H]1OC 1329832251 AILIXLPFHYVGKD-JHJVBQTASA-N 314.382 -0.044 30 20 DBED C#CCOCCNC(=O)C(=O)NCCN1CCc2ccccc21 1332835109 GBQJWOSMRIXHES-UHFFFAOYSA-N 315.373 -0.069 30 20 DBED C#CCN1CCC[C@@H](NC(=O)N[C@H](CO)c2cnn(C)c2)C1 1334060201 NKUGNTDWFMYIBA-ZIAGYGMSSA-N 305.382 -0.150 30 20 DBED CS(=O)(=O)C1(C(=O)NCc2ccc(C(=O)NO)cc2)CC1 1334137912 VBDXXBGMTWFLOY-UHFFFAOYSA-N 312.347 -0.001 30 20 DBED C=CC[C@@H]1NC(=O)N(C[C@@H]2CCN(S(C)(=O)=O)C2)C1=O 1339079935 SAHVNOZAYOXQNH-ZJUUUORDSA-N 301.368 -0.236 30 20 DBED C=CCn1c(N(C)CCC(=O)NC)nnc1[C@]1(O)CCOC1 1339910315 CUKBBMIWLVPXSZ-AWEZNQCLSA-N 309.370 -0.356 30 20 DBED CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)NCC(=O)NCC#N)C1 1342602429 UGFRZRDICWCJHM-VHSXEESVSA-N 316.383 -0.719 30 20 DBED CC1(C)OC[C@H](CNC(=O)CCn2cc(C#N)c(O)nc2=O)O1 1362217523 QCGLELQFURZOQN-JTQLQIEISA-N 322.321 -0.522 30 20 DBED COC(=O)N(C)CCNC(=O)CCn1cc(C#N)c(O)nc1=O 1362965755 DSWPUTZEKLIXCZ-UHFFFAOYSA-N 323.309 -0.975 30 20 DBED CC(=O)NCC[C@H]1CCCN(c2[nH]c(=O)n(C)c(=O)c2C#N)C1 1363736728 UPZCWXZMAJOHDV-LLVKDONJSA-N 319.365 -0.312 30 20 DBED CCN(CCC#N)C(=O)CN1CC(NC(=O)c2csnn2)C1 1373444049 DJAYFBNFCAPOMH-UHFFFAOYSA-N 322.394 -0.286 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CCN(C(=O)CCN2CCOCC2)C1 1385614004 PISUBPJPXVDZQE-STQMWFEESA-N 308.382 -0.415 30 20 DBED C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)CN1CCOCC1 1397410387 UHJNRUXMEKWAHK-NSHDSACASA-N 319.365 -0.547 30 20 DBED N#Cc1ccc(C(=O)N2CC(NC(=O)CO[C@H]3CCOC3)C2)[nH]1 1398597048 RWCUUZRFVJHQMS-LBPRGKRZSA-N 318.333 -0.368 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1cccc2c1OCC2 1399860207 FNVULVGCAIQDKZ-ZYHUDNBSSA-N 317.345 -0.012 30 20 DBED COC(=O)NCC(=O)N[C@@H](C)CNC(=O)c1c[nH]c(C#N)c1 1408120434 VWXMTPMXBYDJSL-QMMMGPOBSA-N 307.310 -0.523 30 20 DBED Cc1ccnc2nc(C(=O)N3CC(NC(=O)[C@@H](C)C#N)C3)nn12 1409100853 BSAXLRSGCKFVQZ-QMMMGPOBSA-N 313.321 -0.467 30 20 DBED Cn1nc(C2CC2)nc1CC(=O)NCCn1cnc(C#N)n1 1411381996 YGENIEWTYZNBJQ-UHFFFAOYSA-N 300.326 -0.485 30 20 DBED CCn1cc(C(=O)N(C)C[C@@H](O)CNC(=O)[C@H](C)C#N)cn1 1425774107 LVXZULUGYHEXOC-PWSUYJOCSA-N 307.354 -0.388 30 20 DBED Cn1c(=O)[nH]c(Nc2ccc(C3(O)COC3)cc2)c(C#N)c1=O 1434444525 JJYQKUHITQZSAI-UHFFFAOYSA-N 314.301 -0.093 30 20 DBED C[C@H](CNCc1ccc(F)c(C#N)c1)NC(=O)Cn1ncnn1 1439111932 ULDFZDNUPYEAAK-SNVBAGLBSA-N 317.328 -0.022 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@]2(CCN(CC(=O)NC(N)=O)C2)C1 1446357430 VRHXGPYMNVSPCY-YGRLFVJLSA-N 307.354 -0.735 30 20 DBED CCn1cc(CC(=O)NC[C@@H](O)CNC(=O)[C@H](C)C#N)cn1 1452404243 FYRBZRNFDQHSLZ-ZYHUDNBSSA-N 307.354 -0.802 30 20 DBED Cn1cnnc1[C@H]1CCCN1c1[nH]c(=O)n(C)c(=O)c1C#N 1458304329 NSOGIMHOICQAQN-SECBINFHSA-N 301.310 -0.585 30 20 DBED CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)N1CC[C@@](F)(C#N)C1 1466908364 LVVLEDSKMYHORD-QMTHXVAHSA-N 312.345 -0.143 30 20 DBED CCN1CC[C@@H](N2CCN(CCNC(=O)[C@H](C)C#N)CC2)C1=O 1479928436 MSBFMVGOEAVAFN-ZIAGYGMSSA-N 321.425 -0.499 30 20 DBED C[C@@H](NC[C@@H](O)CNC(=O)c1cc(C#N)c[nH]1)c1nncn1C 1496963043 ZPRRWWCLVHRYIJ-MWLCHTKSSA-N 317.353 -0.544 30 20 DBED Cc1cc(COCC(=O)NC[C@@H](O)CNC(=O)[C@H](C)C#N)no1 1533286715 HMUODDXYACNSSD-BXKDBHETSA-N 324.337 -0.747 30 20 DBED C[C@@](C#N)(CC(=O)O)C(=O)N1CC[C@@H](CNS(C)(=O)=O)C1 1573359901 LQQZEYWKHUMFQH-CABZTGNLSA-N 317.367 -0.611 30 20 DBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C[C@H](O)CN 1576815277 KXHZVADISXRUHE-QWRGUYRKSA-N 304.354 -0.905 30 20 DBED COCC#CCN[C@H](C)[C@H](C)NC(=O)CCOCc1cnn[nH]1 1576953403 NUGBHWBEIMRECC-OLZOCXBDSA-N 323.397 -0.156 30 20 DBED CS(=O)(=O)[C@H]1CCN(c2cnc(-c3nn[nH]n3)c(C#N)n2)C1 1580154651 IWTHEJJRUPFZMJ-ZETCQYMHSA-N 320.338 -0.848 30 20 DBED C#CCN(CC(=O)N1CC(O)(C(=O)O)C1)C(=O)OC(C)(C)C 1588465961 OSWUQHDXWZQCIP-UHFFFAOYSA-N 312.322 -0.485 30 20 DBED CC1(NC(=O)[C@@H]2C[C@@H]2C(=O)O)CCN(CC(=O)NCC#N)CC1 1594051185 AVUSGLRHERMNLS-MNOVXSKESA-N 322.365 -0.682 30 20 DBED C#C[C@@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)OC(C)(C)C 1602671502 VIDOOCSRLMRRMB-UWVGGRQHSA-N 314.338 -0.145 30 20 DBED C#CC[C@H](NC(=O)CCN1C(=O)NC2(CCCC2)C1=O)C(=O)O 1602687979 ZGKGYRCFKDYSKA-JTQLQIEISA-N 321.333 -0.166 30 20 DBED CCC[C@H](O)[C@@H](CO)Nc1cnc(C#N)c(-c2nn[nH]n2)n1 1604145828 YEPLLZVKVPWKNY-BDAKNGLRSA-N 304.314 -0.538 30 20 DBED O=C(O)Cn1cc(C(=O)N2CCC3(CC2)CC(=O)C=CO3)nn1 1606326498 PYMGODORVZXHOZ-UHFFFAOYSA-N 320.305 -0.159 30 20 DBED C[C@@H](O)[C@H](NS(=O)(=O)Cc1csc(C#N)c1)C(=O)O 1607425263 CGGMYFHKVAOPQO-MUWHJKNJSA-N 304.349 -0.127 30 20 DBED N#Cc1cccc([C@H](NCCN2C(=O)CNC2=O)C(=O)O)c1 1608215645 NHZORQDHYQNFKZ-LBPRGKRZSA-N 302.290 -0.175 30 20 DBED CN(CCC#N)S(=O)(=O)N1CCN(CCC(=O)O)CC1 1610115535 ICIDIZXHBSZUKO-UHFFFAOYSA-N 304.372 -0.831 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N2CCCN3CCC[C@H]3C2)CCO1 1647177108 BUHYPPLKAFDITJ-QWHCGFSZSA-N 314.411 -0.374 30 20 DBED C[C@@H](NC(=O)N1CCN(CCC#N)CC1)[C@@H]1CN(C)CCN1C 1649314232 XHBKZCOAXPXOMC-CABCVRRESA-N 322.457 -0.138 30 20 DBED C=CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)c2cncn2C)C1 1713926974 KQXCPMIMPIDFEP-RYUDHWBXSA-N 305.382 -0.085 30 20 DBED C=CCNC(=O)CN[C@H]1C[C@@H](NC(=O)[C@H]2CCN(C)C2=O)C1 1752754797 XKHRZUSFHDVTJJ-GRYCIOLGSA-N 308.382 -0.996 30 20 DBED C[C@H](NC(=O)c1cnn[nH]1)[C@H]1CCCN(CC(=O)NCC#N)C1 1752836357 MWRIUEXOMRUHKZ-QWRGUYRKSA-N 319.369 -0.725 30 20 DBED COCC#CCN[C@@H](C)CNC(=O)[C@@H](C)N1C(=O)CCC1=O 1752877516 WJXAEDNGQVHSQB-NWDGAFQWSA-N 309.366 -0.732 30 20 DBED C=CCCC(=O)NCCN(C)CC(=O)N1CCC(C(N)=O)CC1 1753045321 OAVQKEALBBINCI-UHFFFAOYSA-N 324.425 -0.276 30 20 DBED C=CCNC(=O)CN1CC[C@H](CNC(=O)[C@H](CC)NC(C)=O)C1 1753135163 KRMQJUGEYNFHPH-KGLIPLIRSA-N 324.425 -0.359 30 20 DBED COc1ccc(C(=O)N(C)CCNCC(=O)NCC#N)cn1 1753210378 QLSJMMUKWSNADM-UHFFFAOYSA-N 305.338 -0.608 30 20 DBED C=CCNC(=O)CN1[C@H]2CC[C@H]1CN(C(=O)CCCC(N)=O)C2 1753311925 MJWLYPBRQIFSDZ-STQMWFEESA-N 322.409 -0.381 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1[nH]nnc1C 1753422813 MDMRMLDDXAYLPX-SRVKXCTJSA-N 316.365 -0.850 30 20 DBED CC(C)(C)C#CC(=O)NC[C@H](O)CNCCS(C)(=O)=O 1753911669 VRIRSUJCNFABEB-LLVKDONJSA-N 304.412 -0.853 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@@H](C)NC(=O)c1cn(C)nc1C 1754220618 LAPKGZOEJIHQIO-PWSUYJOCSA-N 305.382 -0.426 30 20 DBED C#CCNC(=O)CNC[C@H](C)NC(=O)[C@H](CC)N1CCCC1=O 1754295257 RPZFPWRPBVBFGD-STQMWFEESA-N 322.409 -0.769 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCC1(NCC(=O)NCCC)CC1 1754516042 MCWYHCBCWNTGFB-AWEZNQCLSA-N 320.437 -0.151 30 20 DBED C=CCCOCC(=O)N[C@@]1(C)CCN(CC(=O)NCC#N)C1 1754685927 VKTFDJMHURLWLH-HNNXBMFYSA-N 308.382 -0.201 30 20 DBED C#CCCN1CCC[C@H](NC(=O)CNC(=O)CNC(C)=O)CC1 1755026542 RJGPIKVTROHLCB-AWEZNQCLSA-N 322.409 -0.767 30 20 DBED C=CCCN1CC2(C[C@@H](NC(=O)C(=O)NCC(F)F)CO2)C1 1755063159 KKCHFWWPRGAZAH-SNVBAGLBSA-N 317.336 -0.097 30 20 DBED C=CCCN1CC(CCO)(NC(=O)c2nccnc2C(N)=O)C1 1755338235 MZCUYNNBIDWDAA-UHFFFAOYSA-N 319.365 -0.682 30 20 DBED C#CCNC(=O)CN1CCC[C@H](NC(=O)CN(C)C(C)=O)[C@H]1C 1755714369 LEALIUVBIXYOAC-OCCSQVGLSA-N 322.409 -0.817 30 20 DBED C=C(C)CNC[C@H](O)CN(C)C(=O)[C@@H](C)N1C(=O)CCC1=O 1755780769 MDJOUTHZHDTMMY-NEPJUHHUSA-N 311.382 -0.491 30 20 DBED C#CCCN(C)C[C@@H](O)CN(C)C(=O)CCn1cnccc1=O 1755806418 FBWNWEFWTDWZPR-CQSZACIVSA-N 320.393 -0.592 30 20 DBED COCC#CCNC1CC(N(C)C(=O)[C@H]2CC(=O)N(C)C2)C1 1755857755 AVEUHNFFMXTKDP-HSBZDZAISA-N 307.394 -0.307 30 20 DBED C#CCCCC(=O)NCC1(CCNC(=O)[C@@H]2CNC(=O)N2)CC1 1756899612 YSKWKTWFWFPHPT-LBPRGKRZSA-N 320.393 -0.126 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(C(=O)c2cnccn2)C[C@H]1O 1756994747 WDRHWQYNLWFYJU-CHWSQXEVSA-N 302.334 -0.563 30 20 DBED CO[C@@H]1CN(C(=O)c2cc[n+]([O-])cc2)C[C@H]1NC(=O)[C@H](C)C#N 1757145932 GDMVBFLBSNXZEL-RAIGVLPGSA-N 318.333 -0.565 30 20 DBED CC(=O)N1CC(C(=O)N2CC[C@@H]2CN(C)C(=O)C#CC2CC2)C1 1757289935 MOHSRMOMZMQTDI-OAHLLOKOSA-N 317.389 -0.063 30 20 DBED C#CCCCCC(=O)N1CC[C@H](NC(=O)CC(N)=O)[C@H](O)C1 1757562347 GOLATJHEKSAQIX-NWDGAFQWSA-N 309.366 -0.867 30 20 DBED Cc1nc[nH]c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC#N)C2 1796608674 BQXJZHDEUMPTOE-GNXNZQSNSA-N 317.349 -0.165 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(C)(C)C)C2 1800452232 XWLBNGBAWGOTQF-JJLQDPRZSA-N 307.394 -0.403 30 20 DBED C#CC(=O)N1CC[C@@H](CNC(=O)C(O)O)[C@@H]1c1cccnc1 1802927083 VNDCEDHNRQAZFX-AAEUAGOBSA-N 303.318 -0.969 30 20 DBED C[C@@H](S)C(=O)N1CCCC12CN(C(=O)[C@H]1CNC(=O)C1)C2 1846370693 FYNRFJHEOJGGOB-NXEZZACHSA-N 311.407 -0.356 30 20 DBED C#CCCCNS(=O)(=O)c1cnc2[nH]c(=O)[nH]c(=O)c2c1 176726691 PFDSMVCYGZQYEM-UHFFFAOYSA-N 308.319 -0.697 30 20 DBED C/N=C(/NC[C@]1(O)CCSC1)N1CCO[C@H](COC)C1 261920524 KKJAADHHXDOQAU-WCQYABFASA-N 303.428 -0.223 30 20 DBED CCOCCNC(=O)Cn1cc(C(=O)OC)cc(C#N)c1=O 267796434 IDNVVJKXKLMQAT-UHFFFAOYSA-N 307.306 -0.341 30 20 DBED C=C(C)CNC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 275050214 SOYNMMMMCALMRX-SNVBAGLBSA-N 313.379 -0.156 30 20 DBED COC(=O)[C@H]1[C@@H](O)CCCN1CC(=O)N(CCC#N)CCC#N 275505439 HGVMNDZXNXXVNK-GXTWGEPZSA-N 322.365 -0.359 30 20 DBED C#C[C@@H](C)NS(=O)(=O)c1ccc(S(=O)(=O)NC)cc1 277612085 AZDQFYLWWADBAY-SECBINFHSA-N 302.377 -0.105 30 20 DBED C#CCN(C)CCCNC(=O)NCCNS(=O)(=O)CC 296559450 GHUBCLNRCZCEID-UHFFFAOYSA-N 304.416 -0.820 30 20 DBED C#CCN1CCC(C(=O)N2CCNC(=O)[C@H]2CC(=O)OC)CC1 299285608 AWTQOPCMAWZPFZ-CYBMUJFWSA-N 321.377 -0.778 30 20 DBED O=C1CN(/C(O)=N/[C@@H]2CCc3ncnn3C2)CCN1C1CC1 328721414 RDQGHXHLVACKTD-SNVBAGLBSA-N 304.354 -0.187 30 20 DBED O=C1CN(/C(O)=N/[C@@H]2CCCS(=O)(=O)C2)CCN1C1CC1 328725385 TYDRZTJOAFJKBY-SNVBAGLBSA-N 315.395 -0.216 30 20 DBED CC(C)CN1CCO[C@H](C/N=C(/O)NC[C@@]2(O)CCOC2)C1 328793489 CFBCAOYKIUXOMJ-HIFRSBDPSA-N 315.414 -0.002 30 20 DBED O/C(=N/CCn1cncn1)N1CCO[C@H](Cn2cccn2)C1 329486257 SXIGIGZZWWSZNA-LBPRGKRZSA-N 305.342 -0.210 30 20 DBED CC(=O)N1CCN(/C(O)=N/[C@@H]2CS(=O)(=O)C[C@@H]2C)[C@H](C)C1 329558231 CDHHESXMLFYVPH-HOSYDEDBSA-N 317.411 -0.114 30 20 DBED CN1CCN(CC(=O)NCC2CCN(CC#N)CC2)CC1=O 331303581 VWLCICUDJNQUOW-UHFFFAOYSA-N 307.398 -0.888 30 20 DBED CCN(CCC#N)C(=O)CN1CCC[C@]2(C1)NC(=O)NC2=O 331548767 FONXRSOZPVEPOR-CQSZACIVSA-N 307.354 -0.577 30 20 DBED CCN(CCC#N)S(=O)(=O)NCc1nnnn1CC1CC1 336939154 IAZOCSBXJNLZLM-UHFFFAOYSA-N 313.387 -0.347 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1C[C@H]2[C@@H](O)CC[C@H]2C1 336952233 VNOGLSXHEWTDJN-XQQFMLRXSA-N 317.411 -0.204 30 20 DBED C[C@@H]1C(=O)N(C)CCN1CC#CCN1CCN(C)C(=O)[C@H]1C 342136233 UHLCVVSFXPOLPI-ZIAGYGMSSA-N 306.410 -0.685 30 20 DBED N#CCNC(=O)CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12 344152612 MFMJMGFPHSPWFM-UHFFFAOYSA-N 302.250 -0.159 30 20 DBED C=CCOC[C@H](NS(=O)(=O)c1c(N)noc1C)C(=O)OC 349623406 ISKBEKFXTVPNQG-QMMMGPOBSA-N 319.339 -0.412 30 20 DBED Cc1ncc(S(=O)(=O)Nc2cnn(CC(N)=O)c2)cc1C#N 427122073 OQUAADIUVPFEFP-UHFFFAOYSA-N 320.334 -0.256 30 20 DBED C=CCNC(=O)CNC(=O)Nc1cc(OC(F)F)n(C)n1 429664992 YASAJLHDUPMQJQ-UHFFFAOYSA-N 303.269 0.445 30 20 DBED COC(=O)[C@H](O)C1CCN(S(=O)(=O)N(C)CCC#N)CC1 443488737 IXIIJIRUXGJYPW-LLVKDONJSA-N 319.383 -0.677 30 20 DBED C#CCNC(=O)CN1CCN(c2ncc(C#N)cc2F)CC1 491618927 APMYFQQXADOPCG-UHFFFAOYSA-N 301.325 -0.036 30 20 DBED CC(C)CN1C[C@H](C(=O)NCCn2cnc(C#N)n2)CC1=O 553205392 GPFLCIMWGZQQMO-LLVKDONJSA-N 304.354 -0.230 30 20 DBED CN(C)S(=O)(=O)N(C)CC(=O)NC1(C#N)CCSCC1 563249486 RZLNSFLIIPYEFQ-UHFFFAOYSA-N 320.440 -0.370 30 20 DBED C[C@H](O)C(=O)N1CCN(S(=O)(=O)CC2(CC#N)CC2)CC1 578454229 UFHMRKJQAJEPPV-NSHDSACASA-N 315.395 -0.465 30 20 DBED C[C@@](O)(CN1Cc2ccccc2C1=O)C(=O)NCC#CCO 581676120 NOEYOHQNPJHHDF-MRXNPFEDSA-N 302.330 -0.495 30 20 DBED CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC[C@@H](O)C(N)=O 590337569 JIQDPFAQNMLDJL-YPMHNXCESA-N 305.334 -0.076 30 20 DBED CN(C)S(=O)(=O)NCCNC(=O)[C@]1(C#N)CC12CCCC2 593897608 TYODTYLWFXYLFP-CYBMUJFWSA-N 314.411 -0.027 30 20 DBED CCc1nc(C#N)cc(N2CCC[C@@H](CNS(N)(=O)=O)C2)n1 596103727 FQQZEVKVSDDIBP-JTQLQIEISA-N 324.410 -0.080 30 20 DBED CN(CC(N)=O)C[C@@H]1CN(C[C@H](O)CC(C)(C)C#N)CCO1 598621110 UTIOBIVQNBZZOM-CHWSQXEVSA-N 312.414 -0.595 30 20 DBED C=CCOC[C@@H](NS(=O)(=O)c1cnc(C)n1C)C(=O)OC 599301273 AESBCZGVMFYDBG-SNVBAGLBSA-N 317.367 -0.249 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1cnn(C[C@H](O)CO)c1 614375682 VBQKSUJSSPRTRO-XBFCOCLRSA-N 309.366 -0.053 30 20 DBED C=CCCNC(=O)N1CCN(C(=O)CN2CCOCC2)CC1 661572190 HXOYQMNPOSQGEY-UHFFFAOYSA-N 310.398 -0.252 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCC[C@H]2N(C)C)C1=O 681790941 SYPOYPFDJFICOI-GHMZBOCLSA-N 322.365 -0.438 30 20 DBED COc1cc(C=NNC(=S)NCC(N)=O)cc(OC)c1O 731930451 YHGKQNRSJDTQFG-UHFFFAOYSA-N 312.351 -0.307 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCN(Cc2n[nH]c(C)n2)CC1 736152085 IAVKEUCYOYQDAB-AWEZNQCLSA-N 316.409 -0.145 30 20 DBED C#CCOCCOC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 762724313 GWJHCCJEEPFAAA-UHFFFAOYSA-N 322.342 -0.082 30 20 DBED C#CCC[C@H](O)CNC(=O)CN(C)c1ncnc2[nH]cnc12 799080791 NJIOPAVQCSTYFN-JTQLQIEISA-N 302.338 -0.320 30 20 DBED CCN(CCS(=O)(=O)c1ccc(C#N)cn1)CC(=O)NC 808711559 KFIVGRRJKJWPSF-UHFFFAOYSA-N 310.379 -0.205 30 20 DBED N#C[C@H]1COCCN1S(=O)(=O)c1cccc(-c2nn[nH]n2)c1 822805992 HVEFMGDQJCUNPN-JTQLQIEISA-N 320.334 -0.220 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N[C@@H](C)C[S@@](C)=O 829181381 DSWHVZRPEVASMC-PRWKNARSSA-N 302.396 -0.632 30 20 DBED Cc1c(C(=O)N[C@H]2CCCN(O)C2=O)nnn1-c1cnn(C)c1 848131443 GMDXSMVKSPHCCO-JTQLQIEISA-N 319.325 -0.581 30 20 DBED C#CCO[C@@H](C)C(=O)NCC(=C)CNC(=O)[C@@H](C)OCC#C 856338691 HABZWJNIIQRROL-OKILXGFUSA-N 306.362 -0.148 30 20 DBED C#CC1(O)CN(S(=O)(=O)N2CCC[C@@H](C(=O)OCC)C2)C1 908228720 IYNXETFJIQOJSI-LLVKDONJSA-N 316.379 -0.814 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)CN1CCCCC1=O 915457998 OYYYSHRUTOJKKD-SNVBAGLBSA-N 311.338 -0.058 30 20 DBED CN(C)CC#CCNC(=O)Nc1ccn(CC(=O)N(C)C)n1 930107231 DAFVZXUEGRJQPO-UHFFFAOYSA-N 306.370 -0.342 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CN2CCOCC2=O)[C@@H](C)C1 942128881 HTFASSRJJCMDEW-UONOGXRCSA-N 307.394 -0.305 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)[C@@]1(C)CNC(=O)C1)CCO2 949147667 MRFLGAQOUWMZQE-MRXNPFEDSA-N 319.405 -0.161 30 20 DBED CN1CCO[C@H](C(=O)NC[C@@H]2CCN2C(=O)C#CC2CC2)C1 949238741 MCOCSEIIXZLQAI-KBPBESRZSA-N 305.378 -0.553 30 20 DBED N#Cc1cc(C(=O)NC[C@H]2CCN2C(=O)Cn2nccn2)c[nH]1 949497700 LLHLMHMRZNASSL-GFCCVEGCSA-N 313.321 -0.491 30 20 DBED N#CCN1CCC2(CC1)CCN(C(=O)Cn1cnnn1)CC2 957498088 GYXBOXUXARCYGE-UHFFFAOYSA-N 303.370 -0.099 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@](C)(NC(=O)c2ccc(=O)n(C)n2)C1 957649212 XQLNGTJDJQKZAC-ZUZCIYMTSA-N 317.349 -0.339 30 20 DBED Cc1ccncc1C(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1O 962031992 KXCRQULQVRZCEQ-UHTWSYAYSA-N 302.334 -0.149 30 20 DBED C#CCN1C[C@H]2C(NC(=O)c3cn4nc(C)cc4[nH]c3=O)[C@@H]2C1 962064855 HETKUNXKULDSDI-GHMZBOCLSA-N 311.345 -0.376 30 20 DBED CC#CCN1C[C@H]2C(NC(=O)c3cn(C)c(=O)nc3O)[C@@H]2C1 962538846 YKVYVXOMQIJOSJ-NXEZZACHSA-N 302.334 -0.831 30 20 DBED N#CCN1CCC[C@H]1[C@H]1CCCN(C(=O)Cn2cnnn2)C1 963264610 OUQIASWKPARILN-STQMWFEESA-N 303.370 -0.100 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)c1ccc(O)nc1 964349110 RJEQLNLWFDNHQP-PWSUYJOCSA-N 318.333 -0.096 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CN(C(=O)C3=COCCO3)CCO2)C1 965295563 WHKKOPGAKKATLP-NSHDSACASA-N 321.333 -0.526 30 20 DBED C=CCN1CC[C@@H](C)[C@H](NC(=O)CN2CCN(C)C(=O)C2)C1 967031078 KHSDZXRYVRUQET-ZIAGYGMSSA-N 308.426 -0.227 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C2CN(C(=O)CC(C)(C)O)C2)CC1 967245486 STKBYOOWFNPJHZ-GFCCVEGCSA-N 322.409 -0.338 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C2CN(C(=O)c3ncc[nH]3)C2)CC1 967245509 SVVKZOVPSWEZCQ-NSHDSACASA-N 316.365 -0.462 30 20 DBED COCCn1nc(C(=O)N[C@@H](C)C2CN(CC#N)C2)ccc1=O 970106221 XBLQRZNDHBDWTD-NSHDSACASA-N 319.365 -0.537 30 20 DBED C#Cc1ccc(C(=O)N[C@H](C)C2CN(CC(=O)NC)C2)nc1 970764496 UXALUSLWQGWJKS-LLVKDONJSA-N 300.362 -0.141 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)c3cn(C)c(=O)cn3)C2)C1 972470280 CHLBLTJCQLTPGA-MRXNPFEDSA-N 316.361 -0.670 30 20 DBED C[C@@H](NCc1cnnn1C)[C@@H]1CN(C(=O)C#CC2CC2)CCO1 979329358 IHRUMHTXUGYRCF-DOMZBBRYSA-N 317.393 -0.066 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCCCC[C@H](NC(=O)C(N)=O)C1 987159955 JEOXXWCIXCMZRH-XQQFMLRXSA-N 323.393 -0.050 30 20 DBED C#CCN1CC[C@]2(NC(=O)Cn3cnc(C(N)=O)n3)CCC[C@H]12 990767705 YNWHHBCNCVAMHW-XHDPSFHLSA-N 316.365 -0.877 30 20 DBED O=C(Cc1ccon1)N[C@H]1CCN(C(=O)C#CC2CC2)C[C@H]1O 991343182 NYQASEUYCCJHQX-UONOGXRCSA-N 317.345 -0.292 30 20 DBED C=CCn1cc(C(=O)NC2CN(C(=O)[C@H]3C[C@@H]3OCC)C2)nn1 991673297 LGVNRRQZGWVQCU-AAEUAGOBSA-N 319.365 -0.170 30 20 DBED C=C1CCC(C(=O)N[C@@H]2CCN(C(=O)CC(N)=O)C[C@@H]2O)CC1 991739018 AFCPKMAJOTYEQY-OLZOCXBDSA-N 323.393 -0.314 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)c2c[nH]c(=O)cn2)C1 998575678 YNIHAMAMFJPILX-PWSUYJOCSA-N 318.333 -0.698 30 20 DBED N#CCN1CCC(CNC(=O)C2CC3(C2)NC(=O)NC3=O)CC1 1001921146 TZFFRGVVQXBKOB-UHFFFAOYSA-N 319.365 -0.674 30 20 DBED N#Cc1c[nH]c(C(=O)N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)C(N)=O)c1 1005657499 UEOFGXBQHGFLHP-KKZNHRDASA-N 301.306 -0.767 30 20 DBED C[C@H](NC(=O)c1nccnc1N)C1CN(C(=O)[C@H](C)C#N)C1 1005836403 QNAGDBUSOLTXCL-BDAKNGLRSA-N 302.338 -0.205 30 20 DBED C[C@@H](C#N)C(=O)N1CC([C@@H](C)NC(=O)c2cnn(C)c2N)C1 1005953936 PZCWRZVSLTVFBJ-DTWKUNHWSA-N 304.354 -0.261 30 20 DBED COCC(=O)N1CCO[C@]2(CCN(C(=O)C#CC3CC3)C2)C1 1007646386 BEPWWPOIUHBGBO-INIZCTEOSA-N 306.362 -0.124 30 20 DBED C[C@@H]1[C@H](NC(=O)Cn2cnnn2)CCN1C(=O)C#CC1CC1 1011738043 CPRUUNHVJDSQBZ-ZYHUDNBSSA-N 302.338 -0.808 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(C1)CN(C(=O)C(C)(C)C(N)=O)C2 1019109336 DBZJVXUSDISQMN-JTQLQIEISA-N 306.366 -0.282 30 20 DBED N#CCN1CC[C@H](CNC(=O)c2coc(S(N)(=O)=O)c2)C1 1028637910 XXBREVMMVHFJQU-SECBINFHSA-N 312.351 -0.498 30 20 DBED C=C(Cl)CN1CC(NC(=O)CN2CCC(=O)NC2=O)C1 1031206367 KLPUTWPGYHUNAL-UHFFFAOYSA-N 300.746 -0.519 30 20 DBED C=CCCN1CC(CNC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 1031886314 FWYGVPOZSWGNRL-UHFFFAOYSA-N 316.369 -0.068 30 20 DBED CN(C(=O)c1c[nH]c(C#N)c1)[C@@H]1CCN([C@@H]2CCNC2=O)C1 1033022078 FXFZTTMHXLPNGP-CHWSQXEVSA-N 301.350 -0.079 30 20 DBED CN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CCN(Cc2nnnn2C)C1 1033022914 ROUGKLLPYWECEJ-NSHDSACASA-N 314.353 -0.244 30 20 DBED C#CCCN1CC[C@@H](N(C)C(=O)c2nccnc2C(N)=O)C1 1033649070 WSOLMEQKPAIZOD-LLVKDONJSA-N 301.350 -0.255 30 20 DBED C#CCCN1CC[C@@H]2CN(C(=O)CN3CCOCC3=O)CC[C@H]21 1036739061 SCDKGZAHYHESCC-HUUCEWRRSA-N 319.405 -0.209 30 20 DBED COC[C@H](C)C(=O)N1CC[C@@](O)(CNC(=O)C#CC2CC2)C1 1039678495 XSKUNAPRNTWVRJ-BLLLJJGKSA-N 308.378 -0.238 30 20 DBED O=C(C#CC1CC1)NC[C@]1(O)CCN(C(=O)c2cnccn2)C1 1039684996 HQOHIDFZWZBMDU-MRXNPFEDSA-N 314.345 -0.417 30 20 DBED C[C@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)C(=O)C(C)(C)C)C1 1040763413 OLVQVAHYUQEMMA-MEBBXXQBSA-N 309.366 -0.159 30 20 DBED CN1CCC[C@@H]1C(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1O 1040943565 CYHCVGUHJZHSGC-MGPQQGTHSA-N 315.377 -0.287 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)c3cccnn3)C2)cn1 1041138413 BHPWBDDDLCXLAX-ZIAGYGMSSA-N 310.317 -0.277 30 20 DBED C=C1CC(C)(C(=O)N2CC(O)(CNC(=O)CN(C)C(C)=O)C2)C1 1041577329 WUACWTQSCCAMJP-UHFFFAOYSA-N 323.393 -0.490 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)CCCC(C)=O)C1 1042036188 YKHBBKBOIWBVSE-UHFFFAOYSA-N 312.366 -0.362 30 20 DBED N#CCSCC(=O)N1CC(O)(CNC(=O)C2CC=CC2)C1 1042240578 WQKYXTWRNDWEAW-UHFFFAOYSA-N 309.391 -0.101 30 20 DBED N#CCSCC(=O)N1CC(O)(CNC(=O)/C=C/C2CC2)C1 1042312318 LECXZPBZCIQOFC-ONEGZZNKSA-N 309.391 -0.101 30 20 DBED N#Cc1c[nH]c(C(=O)NCC2(O)CN(C(=O)c3cocn3)C2)c1 1042400529 DDRVYUJZPHKSDP-UHFFFAOYSA-N 315.289 -0.509 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)c2ccnc(C)n2)C1 1043148896 MPHIRVWDXGWFQD-UHFFFAOYSA-N 320.349 -0.709 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CN(Cc2nc(=O)n(C)[nH]2)C1 1043896557 RUPXOSHMQCRAET-NEPJUHHUSA-N 321.381 -0.658 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)Cc3ccco3)C2)nn1 1044129553 FARPHPNZJFENNQ-OLZOCXBDSA-N 313.317 -0.150 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)[C@H]2CC[C@H]2C(N)=O)C1 1044425637 DLOHQNBASLTDDE-MNOVXSKESA-N 309.366 -0.846 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]2CC)C1 1046999418 BYOHXEJYUDJONN-YNEHKIRRSA-N 308.378 -0.240 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cccn3nnnc23)C1 1047395285 FPCUNKYUNLHGGP-RYUDHWBXSA-N 302.338 -0.573 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cn(CC3CC3)nn2)C1 1047581079 ISVYCXPVPOGFCQ-GJZGRUSLSA-N 317.393 -0.172 30 20 DBED C=C(C)CCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(=O)n(C)n2)C1 1047617831 BGQLNQNGHQTRRX-KBPBESRZSA-N 320.393 -0.136 30 20 DBED C=CCCC(=O)N(C)[C@H]1CN(C(=O)C2CN(C(C)=O)C2)C[C@@H]1O 1048510004 DYDVWTUFEDAYHV-KBPBESRZSA-N 323.393 -0.539 30 20 DBED C=C(C)C(C)(C)C(=O)N(C)[C@H]1CN(C(=O)CC(N)=O)C[C@@H]1O 1049163010 AVKCDUWNAIFLNQ-QWRGUYRKSA-N 311.382 -0.506 30 20 DBED C#CCN1C[C@@H]2CCCN(C(=O)CC[C@@H]3NC(=O)NC3=O)[C@@H]2C1 1050196628 KQDFQMKXWOSGTF-RWMBFGLXSA-N 318.377 -0.469 30 20 DBED C=CCOCCCC(=O)N1CC[C@H]([C@@H](C)NC(=O)C(N)=O)C1 1050404186 NUDWDIAXARJIIO-NEPJUHHUSA-N 311.382 -0.192 30 20 DBED C[C@@H](NC(=O)C(N)=O)[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 1050491996 PWIIKRLCKTVVLJ-RKDXNWHRSA-N 303.322 -0.662 30 20 DBED C=CCN1CCOC[C@H]1CNC(=O)[C@H]1CCCCN1C(N)=O 1051200896 DNMYLEAUOISKFE-CHWSQXEVSA-N 310.398 -0.077 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC2(CN(Cc3cnn(C)c3)C2)C1 1053193756 SFZLVDPOXVWTFF-LBPRGKRZSA-N 303.366 -0.007 30 20 DBED C=CCN1CC2(C1)CN(C(=O)[C@@H]1CCN(C)C(=O)C1)CCO2 1053314914 YXUPZWISUYGWNT-CYBMUJFWSA-N 307.394 -0.046 30 20 DBED C=CCN1CC2(C[C@H](NC(=O)[C@H]3CN(C(C)=O)CCO3)CO2)C1 1053997657 SXISKQCXYGFFJX-UONOGXRCSA-N 323.393 -0.621 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@](CO)(NC(=O)C2CC2)C1 1055684126 MRQZSHAOFBMENH-INIZCTEOSA-N 321.377 -0.994 30 20 DBED Cc1cc(C(=O)N2CCC[C@@](CO)(NC(=O)[C@H](C)C#N)C2)n[nH]1 1056095015 ZYTZYJXRWPOUEN-MEBBXXQBSA-N 319.365 -0.039 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC[C@H]2[C@H]1CCCN2C(=O)C(N)=O 1056537415 JZNUYXFAEITWFQ-ZETOZRRWSA-N 309.366 -0.609 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)CCn1cncn1 1057517240 MLXWFPZVAIKATO-UHFFFAOYSA-N 321.381 -0.735 30 20 DBED C#CCO[C@H](C)C(=O)N(CCO)CCNC(=O)C1(CF)CC1 1057584532 NEZRZMIBDWZLQK-GFCCVEGCSA-N 314.357 -0.289 30 20 DBED C=C[C@](C)(O)CC(=O)NCCN(CCO)C(=O)c1ccn(C)n1 1057637974 VBXHOLAATTVRAP-HNNXBMFYSA-N 324.381 -0.702 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)CCc1ccnn1C 1057810138 LJCXKJXICFJHRN-GFCCVEGCSA-N 321.381 -0.551 30 20 DBED N#Cc1ccc(N2CC[C@@H](NC(=O)Cn3cnnc3O)C2)nc1 1058321216 USNLFUZYAJHUBY-LLVKDONJSA-N 313.321 -0.355 30 20 DBED C#Cc1cncc(C(=O)N(CCO)CCNC(=O)COCC)c1 1058776385 TXFAGAIHRRVJEZ-UHFFFAOYSA-N 319.361 -0.350 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1CCN(C(=O)C[C@@H]2CCNC2=O)C1 1058982909 KYPSLNJSMJIHMV-AAEUAGOBSA-N 313.361 -0.086 30 20 DBED CNC(=O)CC(=O)N1CC[C@H](CCNC(=O)C#CC2CC2)C1 1059523484 OFKPGBPPAHRLRO-ZDUSSCGKSA-N 305.378 -0.109 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCOC[C@@H]1CNC(=O)c1cn[nH]c1 1061332258 UXTFVVDNQAGPGX-WFASDCNBSA-N 322.365 -0.306 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@H]1COCCN1C(=O)CCOC 1061543099 OYUAUOMJSYFIIW-IUODEOHRSA-N 314.382 -0.306 30 20 DBED C#CCNC(=O)CC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1C[C@H]1C 1061752233 JPYKRUSLDPTMNF-FRRDWIJNSA-N 321.377 -0.875 30 20 DBED N#Cc1ccc(N2[C@H]3CC[C@H]2CN(C(=O)c2cnn[nH]2)C3)nn1 1062054789 OGQHAQRWPNEMBH-QWRGUYRKSA-N 310.321 -0.040 30 20 DBED C=CCOCC(=O)NC[C@H]1CCCCN1C(=O)[C@@H]1CNC(=O)N1 1062328946 KGQHZSYZBGEDAJ-NEPJUHHUSA-N 324.381 -0.632 30 20 DBED C#CCNC(=O)CC(=O)NCC1(NC(=O)[C@H]2CCOC2)CCC1 1062829131 AEBHIMIIGSUEHO-LBPRGKRZSA-N 321.377 -0.683 30 20 DBED Cc1cc(=NC[C@H]2CCC[C@H]2NC(=O)C(N)=O)c(C#N)c[nH]1 1064133656 KHYIHZOASZPDOR-ZYHUDNBSSA-N 301.350 -0.134 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)C2CC(=O)NC(=O)C2)CCC1 1064307024 WGELGJGQDOGKJE-SECBINFHSA-N 320.349 -0.646 30 20 DBED C=CCCC(=O)N1CCO[C@H](CNC(=O)CN2CCCC2=O)C1 1064952737 FJKRHRVDTJAQCN-CYBMUJFWSA-N 323.393 -0.081 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(C(=O)Cc2cnoc2)CCO1 1065497567 YOYQYFJPUMWURN-AWEZNQCLSA-N 317.345 -0.026 30 20 DBED CN(C)CCC(=O)N1CC2(CN(C(=O)C#CC3CC3)CCO2)C1 1068394532 XTXAKVDJLLMSBG-UHFFFAOYSA-N 319.405 -0.209 30 20 DBED C[C@@H]1[C@H](Nc2cncc(C#N)n2)CCN1C(=O)Cn1ncnn1 1068902398 YHKDODSQCCHIPR-MWLCHTKSSA-N 313.325 -0.564 30 20 DBED C=CCN[C@@H]1CN(C(=O)c2cnn(C)c2N)C[C@@H]1n1ccnn1 1070181027 SRYJEXOBIKPAGL-NEPJUHHUSA-N 316.369 -0.565 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@@]23COC[C@@H]2C3)C[C@@H]1n1ccnn1 1070199102 GYVSMBNRQZMGTF-XFMPKHEZSA-N 301.350 -0.711 30 20 DBED Cc1c[nH]c(C(=O)N2C[C@H](n3ccnn3)[C@H](NCC#N)C2)n1 1070291897 ASXZPGMXBXUDQI-MNOVXSKESA-N 300.326 -0.512 30 20 DBED C=CCN[C@@H]1CN(C(=O)[C@H]2CCNC2=O)C[C@H]1c1cncn1C 1070675508 FRRDVAPDSHZAKD-YNEHKIRRSA-N 317.393 -0.374 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)c2ncccn2)CC1 1071010710 UZOBREXLOWZFIN-UHFFFAOYSA-N 301.350 -0.626 30 20 DBED C#CCN[C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCC(=O)N2)CC1 1071099005 PBVKOOSNTMRWFV-YCPHGPKFSA-N 319.405 -0.116 30 20 DBED C=CCCOCC(=O)N[C@H]1CN(C(=O)CNC(N)=O)C[C@@H]1C 1071581241 HIHVMROGWOIJRD-QWRGUYRKSA-N 312.370 -0.790 30 20 DBED CC(=O)NCC(=O)N[C@H]1CN(C(=O)CSCC#N)C[C@@H]1C 1071654370 GYOMYNBKGQOWFP-ONGXEEELSA-N 312.395 -0.658 30 20 DBED C[C@@H](CCNC(=O)C1CS(=O)(=O)C1)NC(=O)[C@H](C)C#N 1076670980 FPNNAXITBXBCLL-BDAKNGLRSA-N 301.368 -0.798 30 20 DBED Cc1nc2c([nH]1)C[C@@H](C(=O)N[C@@H]1CN(CC#N)C[C@H]1O)CC2 1077260363 DBYWERBFPQZWJX-ZLKJLUDKSA-N 303.366 -0.492 30 20 DBED C[C@@H](CCNC(=O)[C@@H]1CCC(=O)N1)NC(=O)c1cc(C#N)c[nH]1 1077638055 YRUUTVNLOSEIKP-ONGXEEELSA-N 317.349 -0.210 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)Cc1ccco1 1077995042 LREJLWZOBJDFPL-LBPRGKRZSA-N 319.361 -0.027 30 20 DBED C=CCN[C@@H]1C[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C12CCC2 1078819356 MLFVLGUOWIRWQT-VXGBXAGGSA-N 318.381 -0.420 30 20 DBED C#CCCN1CCC2(CC1)CN(C(=O)C(N)=O)[C@@H]1COC[C@@H]12 1079258740 LTNOWESFYRIMAM-QWHCGFSZSA-N 305.378 -0.566 30 20 DBED C[C@@H](C#N)C(=O)NC1(CO)CCN(C(=O)c2cncnc2)CC1 1080980509 VOHNTDVLFLJPTD-NSHDSACASA-N 317.349 -0.280 30 20 DBED C#CCOCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C=C(C)C)C1 1081228995 VLRNSGOXQPXKGV-UONOGXRCSA-N 308.378 -0.072 30 20 DBED COCCn1ncc(C(=O)N[C@@H]2CN(CC#N)C[C@H]2OC)c1C 1081658853 BWYCCDHLBKVESD-ZIAGYGMSSA-N 321.381 -0.210 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cn(CC)nn2)C1 1081724389 HZAMEYXSZKRZLP-WCQYABFASA-N 321.381 -0.187 30 20 DBED C#CCN1C[C@@H](NC(=O)c2ccc3nnnn3c2)[C@H](OC)C1 1081940461 ODCQMJZDLOCJSG-VXGBXAGGSA-N 300.322 -0.814 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2cnn(CC(F)(F)F)c2)C1 1083527194 GFFLESSNBRSRCJ-ZJUUUORDSA-N 317.271 -0.256 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CNC(=O)c3ccccc32)C1 1083527452 UTHDRXJSGLDQEK-MCIONIFRSA-N 314.345 -0.802 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)Cn2cc(C3CC3)cn2)C1 1083585165 HVFJATICAUUNDL-CABCVRRESA-N 302.378 -0.055 30 20 DBED CC(C)(C)N1CC[C@](F)(C(=O)N[C@@H]2CN(CC#N)C[C@@H]2O)C1 1083781791 VYJYODFXXKTSLS-TYNCELHUSA-N 312.389 -0.116 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)c2ccc3nnc(O)n3c2)C1 1083857303 PGGIPBSGFKLRMU-NEPJUHHUSA-N 317.349 -0.214 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2n[nH]c3c2C[C@@H](C)CC3)C1 1083904833 CEQMOCARFFBQBV-GDLCADMTSA-N 302.378 -0.057 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2cn3cccnc3n2)[C@H](O)C1 1090393134 GITWWYPYDWDEDD-GXTWGEPZSA-N 313.361 -0.082 30 20 DBED C=CCN1CC[C@@H](NC(=O)c2ccc3nnnn3c2)[C@H](O)C1 1090429641 FPIRUDIFVKZCHI-VXGBXAGGSA-N 302.338 -0.525 30 20 DBED C[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1NC(=O)CS(C)(=O)=O 1090663445 ZADSIVGREUQAAV-ZYHUDNBSSA-N 322.390 -0.061 30 20 DBED COCCOCC(=O)N1C[C@@H](N=c2cc[nH]c(C#N)n2)[C@H](C)C1 1090959295 AKRIXRYMHWNEMA-VXGBXAGGSA-N 319.365 -0.308 30 20 DBED C#CCNC1CC(CNC(=O)c2cn(CC(=O)N(C)C)nn2)C1 1091378614 PNVMRKSLNDCYKQ-UHFFFAOYSA-N 318.381 -0.903 30 20 DBED CCOCCC(=O)N[C@H]1CCN(c2nccnc2C#N)C[C@@H]1O 1092154464 WZWUHGLQVLEZBH-AAEUAGOBSA-N 319.365 -0.169 30 20 DBED CC(=O)N(C)CC(=O)N1CCN(c2ccc(C#N)nn2)CC1 1093145713 PQOFJFZMMCBWEG-UHFFFAOYSA-N 302.338 -0.525 30 20 DBED N#Cc1cnc(N2C[C@H]3C(NC(=O)CCn4ccnn4)[C@@H]3C2)cn1 1093260790 PRNPIQOTMLVEDQ-VXGBXAGGSA-N 324.348 -0.419 30 20 DBED Cn1nnc2cc(C(=O)NCCN=c3cc[nH]cc3C#N)cnc21 1094000494 VNEDEQRKVOAUNU-UHFFFAOYSA-N 322.332 -0.106 30 20 DBED CN(CCCNC(=O)CCCC(N)=O)c1cncc(C#N)n1 1095580947 YDYPPPSFFFQBNE-UHFFFAOYSA-N 304.354 -0.054 30 20 DBED CN(CCCNC(=O)[C@H]1CCC(=O)N1C)c1ccc(C#N)nn1 1095706858 GOGUGKCEOBUERF-GFCCVEGCSA-N 316.365 -0.088 30 20 DBED CC(=O)NCC(=O)N[C@H]1C[C@H](N=c2cc(C)[nH]cc2C#N)C1 1096986659 HDFSLLJTAIXUFX-JOCQHMNTSA-N 301.350 -0.121 30 20 DBED C=CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cn1ccc(=O)n(C)c1=O 1097175393 IBVPQUICDFBODO-UPJWGTAASA-N 318.377 -0.546 30 20 DBED C[C@@H](NC(=O)C(N)=O)[C@@H]1CCCN(c2ccnc(C#N)n2)C1 1097548237 SCZDSGQCNXUXOH-NXEZZACHSA-N 302.338 -0.445 30 20 DBED NC(=O)CNCc1cn([C@H]2CCN(C(=O)C#CC3CC3)C2)nn1 1098669421 QGNJSNFRIUEUNR-ZDUSSCGKSA-N 316.365 -0.960 30 20 DBED C[C@H](CCNC(=O)[C@@H]1COC(=O)N1)Nc1ccc(C#N)nn1 1099078312 WGPKIRQPJKQLCD-SCZZXKLOSA-N 304.310 -0.237 30 20 DBED C[C@H](CCNC(=O)[C@H]1CNC(=O)N1)Nc1ccc(C#N)cn1 1099682108 AMWSFGZQNKNYOH-MWLCHTKSSA-N 302.338 -0.059 30 20 DBED Cn1cncc1CN1CC[C@@H](NC(=O)CSCC#N)[C@@H](O)C1 1099690468 PBLJAZXQISPHKY-OLZOCXBDSA-N 323.422 -0.272 30 20 DBED CC(C)C#CC(=O)N[C@H]1CCN(CC(=O)NC2CC2)C[C@@H]1O 1099821014 OCQMOKSYBPIGLQ-KBPBESRZSA-N 307.394 -0.524 30 20 DBED COCC#CCNC1CC(CNC(=O)C2(C(=O)N(C)C)CC2)C1 1100850223 VQHYPYOFIGXWGI-UHFFFAOYSA-N 321.421 -0.011 30 20 DBED N#Cc1nccc(N2CCC[C@@H]2CNC(=O)Cn2ncnn2)n1 1100867917 IVFBOBUIVWFFBF-SNVBAGLBSA-N 313.325 -0.880 30 20 DBED COCC(=O)N[C@@H](C)C(=O)N1C[C@H]2CN(CC#N)C[C@@]2(C)C1 1101247958 ZHWARWYGZCRFRV-ZOWXZIJZSA-N 308.382 -0.559 30 20 DBED Cc1nc(CC(=O)N(C)CCN=c2cc[nH]c(C#N)n2)n[nH]1 1101596470 AFXGUYCIBWTGML-UHFFFAOYSA-N 300.326 -0.690 30 20 DBED CN(CCNc1cnc(C#N)cn1)C(=O)c1cccn2nnnc12 1101789761 OESLMKZDGONIDX-UHFFFAOYSA-N 323.320 -0.030 30 20 DBED C[C@@H]1CN(C(=O)COCc2ncnn2C)C[C@H]1CCNCC#N 1104856852 INRRSPAHOKHPKY-CHWSQXEVSA-N 320.397 -0.071 30 20 DBED C#CCNCC[C@@H]1CN(C(=O)CC[C@H]2NC(=O)NC2=O)C[C@H]1C 1104990285 QGSNWTWRBDTPLQ-JHJVBQTASA-N 320.393 -0.318 30 20 DBED CC(C)[C@H](CNC(=O)Cn1cnnn1)Nc1cncc(C#N)n1 1105106203 NYLFGJVOUVLIIH-NSHDSACASA-N 315.341 -0.412 30 20 DBED Cc1ncncc1C(=O)N1CC(n2cc(CNCC#N)nn2)C1 1105174200 OOVDKCPRPFYGBY-UHFFFAOYSA-N 312.337 -0.313 30 20 DBED CC(C)[C@H](CNC(=O)c1ncn(C)n1)N=c1cc[nH]c(C#N)n1 1105178990 AWOXERHDQNBQBU-JTQLQIEISA-N 314.353 -0.235 30 20 DBED CC(C)[C@H](CNC(=O)CCNC(N)=O)Nc1nccnc1C#N 1105182605 NOSNEFHEICSIGL-NSHDSACASA-N 319.369 -0.041 30 20 DBED CC#CCNCc1cn(C2CN(C(=O)c3csnn3)C2)nn1 1105294957 QJUWTDOJRMNTLI-UHFFFAOYSA-N 317.378 -0.060 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H](O)CNC(=O)C1=COCCC1 1105742001 MPRXJBODWWJBTG-ZDUSSCGKSA-N 302.334 -0.042 30 20 DBED C[C@@H](C(=O)NC[C@H](O)CNc1nccnc1C#N)n1cncn1 1105829472 SOGPPUKNGYJKIL-VHSXEESVSA-N 316.325 -0.910 30 20 DBED C#CCOCCC(=O)NC[C@H](O)CNc1nc(C)cc(OC)n1 1105966903 RDOCDAPNPJXAQC-LBPRGKRZSA-N 322.365 -0.277 30 20 DBED C[C@@H](CCNc1ccc(C#N)nn1)NC(=O)[C@H]1CN(C)C(=O)N1 1106518552 CVLMGPCLZXFSEU-GXSJLCMTSA-N 317.353 -0.321 30 20 DBED CCN(CCNc1cncc(C#N)n1)C(=O)[C@H]1COCCN1C 1106731904 MPWNUHHVMBPSHJ-CYBMUJFWSA-N 318.381 -0.061 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)[C@H]1COCCN1C 1107694780 ZUOXYPCGZAUMAR-GHMZBOCLSA-N 304.354 -0.983 30 20 DBED N#CCN1CC(N2C[C@@H](NC(=O)CCc3cn[nH]c3)CC2=O)C1 1108580997 YTIKEUPSCSEKRN-LBPRGKRZSA-N 316.365 -0.733 30 20 DBED C[C@H](CN(C)c1nccnc1C#N)NC(=O)[C@H]1CCC(=O)N1 1108863363 GWZJBXCBVHOXJP-NXEZZACHSA-N 302.338 -0.432 30 20 DBED CNC(=O)NCC(=O)N[C@H](C)CN(C)c1ccc(C#N)cn1 1109287741 QHOXPXUVZASJEG-SNVBAGLBSA-N 304.354 -0.177 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCCn1c(O)nnc1O 1109470710 KHLKGUZACXMGIC-WOPDTQHZSA-N 319.365 -0.176 30 20 DBED CCNC(=O)CC(=O)N[C@]1(C)CCN(c2nccnc2C#N)C1 1110744347 YJXGPBNNWWCURF-OAHLLOKOSA-N 316.365 -0.041 30 20 DBED COC[C@@H](C)C(=O)NC[C@]1(O)CCN(c2ccnc(C#N)n2)C1 1111044395 XFFSVHXLBGTBLF-IAQYHMDHSA-N 319.365 -0.312 30 20 DBED N#Cc1ccc(N2CCC[C@](CO)(NC(=O)CC(N)=O)C2)cn1 1111346767 VDKUMKPTSRTABP-HNNXBMFYSA-N 317.349 -0.724 30 20 DBED CNC(=O)CC(=O)N(CCO)CCNc1nc(C)ccc1C#N 1111458031 ANHKRYWKADKTDK-UHFFFAOYSA-N 319.365 -0.369 30 20 DBED C[C@H]1CN(C(=O)CC(=O)N(C)C)C[C@H]1N=c1cc[nH]c(C#N)n1 1112338169 MMWOUXPXTOHGML-WDEREUQCSA-N 316.365 -0.493 30 20 DBED N#Cc1cncc(N2C[C@@H](O)[C@H](CNC(=O)C#CC3CC3)C2)n1 1112721277 XNIKLQYZBYNRQY-TZMCWYRMSA-N 311.345 -0.325 30 20 DBED C#CCNC(=O)CC(=O)N1CCN([C@@H](C)c2nnc(C)o2)CC1 1112779371 XGWWFUWGWVUALM-NSHDSACASA-N 319.365 -0.277 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@H]2CN3CCC2CC3)CC1 1112857688 VRJHXZMLPNBVOA-HNNXBMFYSA-N 320.437 -0.225 30 20 DBED C=CCNC(=O)NC(=O)CN1CCN(C(=O)c2cc[nH]c2)CC1 1112871380 RLKZSIJLELOPKR-UHFFFAOYSA-N 319.365 -0.216 30 20 DBED C[C@@H](CNC(=O)Cn1ncnn1)N(C)c1ncc(C#N)cc1F 1113723382 NMJCLBXQWWBJCU-VIFPVBQESA-N 318.316 -0.280 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)Cc3ccon3)[C@H]2C1 1114093003 HQAMGVHJMSZZDA-PBOSXPJTSA-N 318.377 -0.046 30 20 DBED N#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3ccc(F)cn3)[C@H]2C1 1114157480 FXYXIJMPMFRVFJ-YABSGUDNSA-N 317.324 -0.480 30 20 DBED N#CCNC(=O)CN1C[C@H]2C(NC(=O)C3=CCOCC3)[C@@H]2C1 1114164972 ZEIPMFHLBJAVCC-VXGBXAGGSA-N 304.350 -0.981 30 20 DBED C=C(Cl)CN1C[C@@H]2C(NC(=O)CN(C)S(C)(=O)=O)[C@H]2C1 1114361711 SCILQAWHQALEER-UWVGGRQHSA-N 321.830 -0.323 30 20 DBED C=CCn1cc(CNC(=O)C(=O)NC[C@@H]2CCCNC2)nn1 1118149166 YSEMKESAEHOCNX-LLVKDONJSA-N 306.370 -0.804 30 20 DBED C[C@]1(O)CCCN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)CC1 1118186313 HKWRHRAUXKYUTP-GJZGRUSLSA-N 309.366 -0.373 30 20 DBED C[C@@H](C(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1)n1cccc1 1121453807 DZWYLCPFMIENAC-RYUDHWBXSA-N 314.349 -0.278 30 20 DBED N#Cc1nc(=N[C@@H](CO)CNC(=O)Cc2ccc[nH]2)cc[nH]1 1121622011 DLLKBNYOQSNRFE-LLVKDONJSA-N 300.322 -0.770 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]cc1C#N)C(=O)[C@H]1CCCN1C 1124206961 HSBGKHNXLWVQKM-UKRRQHHQSA-N 317.393 -0.299 30 20 DBED Cc1nc(NC[C@H](O)CN(C)C(=O)c2nc[nH]n2)ccc1C#N 1124460199 IRHBGCYALJJOOM-NSHDSACASA-N 315.337 -0.075 30 20 DBED CN(C[C@H](O)CNc1cncc(C#N)n1)C(=O)c1cccnn1 1124461522 ZYFVUNNQPLQHGW-LLVKDONJSA-N 313.321 -0.317 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)[C@@]1(F)CCOC1 1124665943 WPPGYPQETKIXLR-QMTHXVAHSA-N 323.328 -0.870 30 20 DBED CCc1nc(C#N)cc(N(C)C[C@@H](O)CN(C)C(=O)COC)n1 1124924482 DDEPHMWANNDTIX-GFCCVEGCSA-N 321.381 -0.187 30 20 DBED N#Cc1ccc(C(=O)NCCNCc2nnnn2C2CC2)[nH]1 1125776692 VAJOQOFLUMSGLI-UHFFFAOYSA-N 300.326 -0.273 30 20 DBED C#CCNC(=O)CC(=O)NCCNCCn1c(C)csc1=O 1125999201 ZTAUCJMUZUREFC-UHFFFAOYSA-N 324.406 -0.936 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)[C@H]1CCCCN1C 1130298140 WRQWMGDVBABPFS-CQSZACIVSA-N 323.441 -0.061 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@H]1CCc2nccn2C1 1130481569 WILUWJRTUYDMNZ-STQMWFEESA-N 317.393 -0.711 30 20 DBED CC(=O)N[C@@H](C)C(=O)N1C[C@@H](NCC#N)[C@H](c2cncn2C)C1 1130908280 FBCFEKLYRKMWKD-CYZMBNFOSA-N 318.381 -0.648 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1cc(CCC)[nH]n1 1132168921 VDPZXIQWEHJVON-NSHDSACASA-N 305.382 -0.181 30 20 DBED COCC#CCN1C[C@@H](NC(=O)C2(C(N)=O)CC2)CC[C@H]1C 1132262515 YMBFIMNEEUZGAD-OLZOCXBDSA-N 307.394 -0.129 30 20 DBED C#CCNC(=O)CNCCNC(=O)C[C@H](C)n1ccc(C)n1 1132313449 XBPWFOUWBYRYQN-ZDUSSCGKSA-N 305.382 -0.402 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1ccnc(OCC)c1 1133601034 MFILXJVXMRPVKO-LBPRGKRZSA-N 318.377 -0.062 30 20 DBED C#CCN[C@@H](C)C[C@H](C)NC(=O)c1cn(C)c(=O)n(C)c1=O 1135614339 RAOFIKGCKARMFW-QWRGUYRKSA-N 306.366 -0.796 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)c1ccncn1 1135716793 XJZTVAVMSLAJES-VXGBXAGGSA-N 303.366 -0.288 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC2(CCN([C@H]3CCCNC3=O)C2)C1 1147530761 QQMSEJKMFDTDJR-KBPBESRZSA-N 319.405 -0.162 30 20 DBED COCC#CCNCCNC(=O)CS(=O)(=O)C(C)(C)C 1147769685 BOBVEADAIKPMEN-UHFFFAOYSA-N 304.412 -0.445 30 20 DBED C=CCOCCNCCNC(=O)[C@@H](NC(N)=O)C(C)(C)C 1147787079 PFEIYLVYNBHMQX-LLVKDONJSA-N 300.403 -0.022 30 20 DBED C=CCOCCN1CCC2(C1)CN(C(=O)CCNC(N)=O)C2 1148743296 QBJQGUBODZGKSS-UHFFFAOYSA-N 310.398 -0.218 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H]1CN(CC2CC2)CCCO1 1149587280 FOOWPSCJQAMNAW-CQSZACIVSA-N 307.394 -0.257 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(CC(=O)NC(N)=O)CCCO1 1149673752 QFORNKNDFGVJGT-LBPRGKRZSA-N 324.381 -0.952 30 20 DBED CC#CCN1CCC(CCOC)(NC(=O)Cn2cnnn2)CC1 1150924729 MGRXWIUZEWNPBT-UHFFFAOYSA-N 320.397 -0.316 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)c2c[nH]c(C(N)=O)c2)C1=O 1151174618 WMSVIXIENKMWHP-NSHDSACASA-N 319.365 -0.780 30 20 DBED C=CCO[C@@H](C)C(=O)NCCNCc1nnc2n1CCOC2 1153135045 MCEPLEQWMBZDFK-NSHDSACASA-N 309.370 -0.395 30 20 DBED C=CCCN(CC)[C@H](C)CNC(=O)Cn1cnc(C(N)=O)n1 1153501266 ITJMTWNJNUUAFT-LLVKDONJSA-N 308.386 -0.220 30 20 DBED C=CCNC(=O)NC(=O)CNCCCNC(=O)[C@@H](C)SC 1154930055 KASCCQIXHOIMPP-SNVBAGLBSA-N 316.427 -0.154 30 20 DBED C=CCOCC(=O)NCCCNCC(=O)NCC(F)(F)F 1155724881 HTMHMFKGCUUKOP-UHFFFAOYSA-N 311.304 -0.037 30 20 DBED C#CCNC(=O)CC(=O)NCCCNCc1csnc1OC 1156853014 UTYWUQLSLZUWRX-UHFFFAOYSA-N 324.406 -0.113 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCCNCc1n[nH]c(C)n1 1160209537 PKJRLOORCVYFCO-ZDUSSCGKSA-N 304.398 -0.193 30 20 DBED CC#CCN1CC=C(CCNC(=O)C[C@@H]2NC(=O)NC2=O)CC1 1160386371 WCRMTNKQVJUKNZ-ZDUSSCGKSA-N 318.377 -0.254 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1162833686 XOOYEFCGBCJHQT-JYKNGBAOSA-N 305.378 -0.745 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@H]1CC(=O)N(CCC)C1 1167424741 FCRSTAANQDHKPQ-ZDUSSCGKSA-N 324.425 -0.357 30 20 DBED C=CCOCC(=O)N[C@@H](C)CCCCNCC(=O)NC(N)=O 1169767725 AALVLYYYQXYTGW-NSHDSACASA-N 314.386 -0.352 30 20 DBED C=CCNC(=O)CNCCCNC(=O)c1c[nH]c(C)cc1=O 1170082882 BQVKGKOOYYHNOE-UHFFFAOYSA-N 306.366 -0.305 30 20 DBED COCC#CCNCCCC[C@H](C)NC(=O)c1nnn(C)n1 1174766037 MROXCUKXRKXDKQ-LBPRGKRZSA-N 308.386 -0.262 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)c2cnn(C)n2)[C@H]1C 1179714917 QRVYRSRTXOOXNJ-WOPDTQHZSA-N 320.397 -0.302 30 20 DBED C#CCNC(=O)CNCCCCCCNC(=O)CC(=O)N(C)C 1179761308 WVKRNFXBDWKMKR-UHFFFAOYSA-N 324.425 -0.520 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2ccc(C)nn2)C1 1182450490 YCFAJYBICGBTJB-CHWSQXEVSA-N 315.377 -0.273 30 20 DBED C#CCCN[C@@H]1CCN(C(=O)c2coc(S(N)(=O)=O)c2)C1 1183722795 WYOMSPGCEYVUGS-LLVKDONJSA-N 311.363 -0.246 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2c(C)nn(C)c2C)C1 1184700399 ABBVBJSHWRFXMW-CYBMUJFWSA-N 317.393 -0.410 30 20 DBED C#CCNC(=O)CNC[C@H]1CCN(C(=O)CCN(C)C)C[C@H]1C 1185071958 CDDGWFZQOYTSKV-HUUCEWRRSA-N 322.453 -0.238 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@@H]1CCN(C(=O)CN(C)C(C)=O)C1 1188974645 SKJDIMWAACKVFQ-TZMCWYRMSA-N 322.409 -0.865 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](N(C)CC(=O)NCCC)C1 1189761121 UMUMCZIDWXRVGW-ZDUSSCGKSA-N 322.409 -0.815 30 20 DBED COCCOC[C@@H](O)CN(C)[C@@H]1CCN(C(=O)C#CC2CC2)C1 1190035533 FLRORGQBJYDASJ-CVEARBPZSA-N 324.421 -0.044 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(Cc2ccsc2)C[C@H]1O 1192396436 NEBFMYWWLUUIKJ-CHWSQXEVSA-N 321.402 -0.451 30 20 DBED N#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C2=CCCCCC2)C1 1192429641 OEDIWEPOXIDOEJ-ZIAGYGMSSA-N 320.393 -0.322 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)CCn2ccccc2=O)C1 1193514304 LGEHDBQFYUMTRG-ZIAGYGMSSA-N 305.378 -0.024 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCCN(C(=O)CNC(=O)OC)CC1 1195045128 VIVXGEDMTDDSPP-GFCCVEGCSA-N 324.381 -0.985 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1CN([C@@H]2CCN(CC)C2=O)C[C@H]1O 1195312598 SBYKYUCHPCYCNL-JHJVBQTASA-N 309.410 -0.019 30 20 DBED C#CCN1CCCN(C(=O)CCS(=O)(=O)N(C)C)CC1 1198221015 DKWIYWOVBAWUKZ-UHFFFAOYSA-N 301.412 -0.565 30 20 DBED C[C@H](O)CNC[C@H]1CN(C(=O)CSCC#N)CCCO1 1199911659 AOFNOLLIBQUPAJ-RYUDHWBXSA-N 301.412 -0.169 30 20 DBED C#CCNC[C@@H]1CN(C(=O)c2coc(C(N)=O)c2)CCCO1 1201062009 FMZSYHPNSZLAOC-GFCCVEGCSA-N 305.334 -0.168 30 20 DBED C#CCNC[C@@H]1CN(C(=O)c2cccn(C)c2=O)CCCO1 1201879435 FNFAPFIPYYLFRM-CYBMUJFWSA-N 303.362 -0.161 30 20 DBED C#CCNC[C@@H]1CN(C(=O)c2cccnc2C(N)=O)CCCO1 1202124547 JWULIBVEKMYFBC-GFCCVEGCSA-N 316.361 -0.366 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)C(=O)NCC2CC2)CC1 1203115747 VMRABVQKQHLJKA-UHFFFAOYSA-N 322.409 -0.605 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)C2CCOCC2)C1 1207020883 BHBIITNAYMGJFI-AWEZNQCLSA-N 307.394 -0.257 30 20 DBED COCC#CCN[C@H]1CCCN(C(=O)[C@@H]2CN(C)CCO2)C1 1207733903 AQCDIYLTUJCPQF-GJZGRUSLSA-N 309.410 -0.453 30 20 DBED C#CCOCCC(=O)N1CCC[C@@H](NCC(=O)N2CCC2)C1 1208031668 BFZFKQNSGHECJD-CQSZACIVSA-N 307.394 -0.161 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)[C@H]2CCNC2=O)C1 1208941675 HMZVOKBTSWKNLK-RYUDHWBXSA-N 308.382 -0.995 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1NC(=O)CNC(=O)C1CCOCC1 1209565535 AIUOZESHJUOIGO-DGCLKSJQSA-N 308.382 -0.511 30 20 DBED C[C@H]1CCCN1CC(=O)N1CCC[C@@H](NCC(=O)NCC#N)C1 1209633790 XYNDFWWKVNBVBZ-UONOGXRCSA-N 321.425 -0.309 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CN(Cc2nnc(C3CC3)n2C)C[C@@H]1O 1219378875 HODJXKKUZXTLSH-WCQGTBRESA-N 318.381 -0.487 30 20 DBED COCCC(=O)N1CC[C@H]2CCN(CC(=O)NCC#N)[C@H]2C1 1222165983 WGXUXNACIMKSIG-OLZOCXBDSA-N 308.382 -0.415 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)[C@@H]2CN(C)CCO2)CC1 1226723503 UIHWZCZNWOFTSB-AWEZNQCLSA-N 324.425 -0.800 30 20 DBED C=CCNC(=O)[C@@H](C)N(C)CCCNC(=O)[C@@H](C)NC(C)=O 1233590562 ZCHCEBMCRXEICE-VXGBXAGGSA-N 312.414 -0.360 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)C1=CCOCC1 1233839012 ZOLFXEAHOSWBPP-CQSZACIVSA-N 305.378 -0.385 30 20 DBED C=C[C@@](C)(O)CC(=O)N(C)C[C@H]1CCN1CCS(C)(=O)=O 1233977765 ORAFSOXPQXYLRK-TZMCWYRMSA-N 318.439 -0.109 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C[C@@H]1CCN1Cc1cn(C)nn1 1234266763 UDGCFSCECDEBSH-JSGCOSHPSA-N 305.382 -0.114 30 20 DBED C=CCN(C(=O)C(=O)N[C@H]1CS(=O)(=O)C[C@H]1C)C1CC1 1262148914 LTBADLIVEVRWOM-KOLCDFICSA-N 300.380 -0.287 30 20 DBED C#CCN1CCC(c2nnc(N3CCNC(=O)C3)n2C)CC1 1262876161 JISWWLOJMLEDJK-UHFFFAOYSA-N 302.382 -0.436 30 20 DBED COCCS(=O)(=O)CC(=O)NC1(C#N)CCSCC1 1319718368 CIYORFYSJFJPBU-UHFFFAOYSA-N 306.409 -0.047 30 20 DBED CC[C@@H](C)NC(=O)CCNC(=O)C(=O)Nc1cnn(CC#N)c1 1322801195 LASAVEAYFKRQLX-SNVBAGLBSA-N 320.353 -0.234 30 20 DBED CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)C(=O)NCCCC#N)O1 1323987692 KWZTYVKIVNERBO-QWRGUYRKSA-N 310.354 -0.842 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N[C@H]1CCN(C(=O)CC)C1 1324013433 UUZQNUXNHLOFKL-ZDUSSCGKSA-N 303.362 -0.401 30 20 DBED CC#CCCNC(=O)C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 1325907309 SXNCLGPLOYPJLS-NSHDSACASA-N 315.395 -0.944 30 20 DBED COC(=O)[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](C#N)C2)C[C@H]1C 1326215375 LTWCQKNSHYVIHH-GMTAPVOTSA-N 309.322 -0.995 30 20 DBED C=CCn1c(O)nnc1S(=O)(=O)CC(=O)N1CCCC1 1327716883 OGOYMFCYPZVLDJ-UHFFFAOYSA-N 300.340 -0.434 30 20 DBED C=CCN(C(=O)C(=O)N1CC[C@@H](NC(N)=O)C1)[C@@H](C)COC 1329751158 VHDLMJXPMCCVNZ-WDEREUQCSA-N 312.370 -0.695 30 20 DBED C#CCSCCNC(=O)C(=O)NCc1nnn(C(C)(C)C)n1 1333010301 UXZQKXIKVRZGOE-UHFFFAOYSA-N 324.410 -0.473 30 20 DBED CCN1CCC(NC(=O)Cn2cc(CNCC#N)nn2)CC1 1333111984 ALPYFUHEPQGFMA-UHFFFAOYSA-N 305.386 -0.508 30 20 DBED C[C@H](O)c1cn(CC(=O)O[C@H](C)C(=O)NC2(C#N)CCC2)nn1 1343435640 AZGQGTDBTZQQAJ-VHSXEESVSA-N 321.337 -0.174 30 20 DBED C#C[C@@H](CCC)NC(=O)[C@@H]1[C@H](O)C(=O)N(C)[C@H]1c1cnn(C)c1 1348473148 HQDOGAIPUQCSFB-XUXIUFHCSA-N 318.377 -0.172 30 20 DBED CCN(CCC#N)C(=O)CN(C)Cc1nnc2c(=O)[nH]ccn12 1364480715 UGIQJHOZURCYPD-UHFFFAOYSA-N 317.353 -0.388 30 20 DBED N#CC[C@]1(O)CCN(C(=O)NCC2CCS(=O)(=O)CC2)C1 1364568088 DTIPNEFBEPJGMU-ZDUSSCGKSA-N 315.395 -0.129 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNCc1cc(O)nc(C2CC2)n1 1379189886 OWEBVDKAJUKMIX-CABZTGNLSA-N 319.365 -0.214 30 20 DBED Cc1nccn1CC(=O)NC[C@]1(O)CCN(C(=O)[C@H](C)C#N)C1 1380144764 TWYFNZLEKBEFNX-IAQYHMDHSA-N 319.365 -0.569 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(CC(=O)NCC2CCC2)C1 1380580003 DCQPTXGEDTZGON-NSHDSACASA-N 308.382 -0.775 30 20 DBED C[C@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)[C@H]1CCNC(=O)C1 1386218322 ROASEFWAUCOMTR-KOLCDFICSA-N 317.349 -0.353 30 20 DBED C=C(Cl)CN1CCOC[C@H]1CNC(=O)CCS(C)(=O)=O 1402518116 PCZVFQIYWZWSTM-LLVKDONJSA-N 324.830 -0.009 30 20 DBED C[C@H](C#N)C(=O)N1CCCO[C@@H](CNC(=O)Cn2cccn2)C1 1406039454 ZCTCUNKEOOCISF-OLZOCXBDSA-N 319.365 -0.224 30 20 DBED N#Cc1cccc(CNC[C@H](O)CNC(=O)[C@H]2COCCO2)c1 1406192713 QWEBJZXKKMXOFL-LSDHHAIUSA-N 319.361 -0.460 30 20 DBED CCc1ncncc1C(=O)NC[C@H](O)CNC(=O)[C@H](C)C#N 1410119201 ZFXGKCMTWREZMG-NXEZZACHSA-N 305.338 -0.594 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)c1cn(C)c(=O)nc1O 1414199818 MEUGFUJLKMXXNP-QMMMGPOBSA-N 300.340 -0.344 30 20 DBED C[C@H](CNC(=O)Cn1nnc2c1CCCC2)NC(=O)[C@H](C)C#N 1416867512 GLHXMUISCMTQRC-GHMZBOCLSA-N 318.381 -0.063 30 20 DBED CC(=O)NCC(=O)N1CC[C@]2(CCN(C(=O)[C@H](C)C#N)C2)C1 1417225956 FUTRVISOYGFICV-ABAIWWIYSA-N 306.366 -0.267 30 20 DBED COCCN1CCN(CCNC(=O)c2cc(C#N)c[nH]2)CC1 1441045505 OQSAXBUAQXYSPK-UHFFFAOYSA-N 305.382 -0.120 30 20 DBED C[C@@H]1C[C@H](NC(=O)CCn2cc(C#N)c(O)nc2=O)CCN1C 1465559826 KKKCZSSOZVWVNW-ZYHUDNBSSA-N 319.365 -0.190 30 20 DBED CN1CCC[C@@H]1C(=O)NC[C@H](O)CNC(=O)c1c[nH]c(C#N)c1 1501463018 KFGPYKHGHFSCLB-CHWSQXEVSA-N 319.365 -0.813 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)[C@@H]2CCCN2C(C)C)C1 1566662666 NUVLQOVIABYAKR-GJZGRUSLSA-N 320.437 -0.201 30 20 DBED C=CCNC(=O)CN1CCC[C@H](NC(=O)CNC(=O)O)[C@@H]1C 1573368024 GTIRHJXCEHILOT-QWRGUYRKSA-N 312.370 -0.475 30 20 DBED Cc1cc(C#N)c(O)nc1C(=O)N[C@H]1CN(C(=O)O)C[C@@H]1CO 1574128036 RZMHXZPBHBYVHX-ZJUUUORDSA-N 320.305 -0.332 30 20 DBED N#Cc1ccncc1N1CCN(C(=O)[C@@H]2COCCN2)CC1 1574249641 YZUISTHNEJGVHT-ZDUSSCGKSA-N 301.350 -0.410 30 20 DBED C[C@@H](OCc1cnn[nH]1)C(=O)N1CCCO[C@@H](CNCC#N)C1 1575823562 QZRSWVGWRVDWAJ-YPMHNXCESA-N 322.369 -0.560 30 20 DBED C#CC[C@H]1CCN(C(=O)NCCn2cnc(-c3nn[nH]n3)n2)C1 1588337464 PZRXARGBCIRKGT-JTQLQIEISA-N 315.341 -0.487 30 20 DBED C=C[C@@H]1OCCC[C@H]1Nc1nc(O)n(C)c(=O)c1-c1nn[nH]n1 1588719006 VPCOZNVPLNARKC-SFYZADRCSA-N 319.325 -0.189 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)NCc2cccc(C(=O)O)c2)CCO1 1594605384 CFTRSRJROXWQGF-LBPRGKRZSA-N 317.301 -0.248 30 20 DBED C=CCOC[C@@H](NC(=O)[C@H]1CCc2nnn(C)c2C1)C(=O)O 1602910228 RANSNSUYPJPQSN-GXSJLCMTSA-N 308.338 -0.308 30 20 DBED C[C@@H](C(=O)N(CC#N)c1ccccn1)n1cnc(-c2nn[nH]n2)n1 1602990653 LZMOWKVOHMXEDW-VIFPVBQESA-N 324.308 -0.029 30 20 DBED C[C@@]1(C#N)CN(C(=O)C(=O)N2CCC[C@H](C(=O)O)C2)CCO1 1603290899 YOTGUNHCSUNKSS-IINYFYTJSA-N 309.322 -0.549 30 20 DBED CC(C)C#CC(=O)NC[C@H](O)CN=c1cc[nH]c(C(=O)O)n1 1603699983 IFUHKYLSWJTMMW-SNVBAGLBSA-N 306.322 -0.855 30 20 DBED N#CCN1CC[C@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1606350161 QXMVSGXEFDIDHF-SECBINFHSA-N 300.326 -0.230 30 20 DBED N#Cc1nccc(N2CCN(C(=O)[C@H]3C[C@@H]3C(=O)O)CC2)n1 1608225372 MZGOHUNQDNKRAG-UWVGGRQHSA-N 301.306 -0.282 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1C[C@H](NC(=O)c2cnnc(O)c2)C1 1752635556 GIPMGSORAQDODS-DLOVCJGASA-N 317.349 -0.830 30 20 DBED C[C@@H](C#N)C(=O)NC1C[C@@H]2CC[C@H](C1)N2CC(=O)NCC#N 1752689307 HBWRKFGBEQDIIO-WODVXLOZSA-N 303.366 -0.103 30 20 DBED C#CCNC(=O)CN1CC[C@H](CNC(=O)[C@@H]2CCO[C@H]2CC)C1 1753130790 HVRZPILROWNNQH-KFWWJZLASA-N 321.421 -0.011 30 20 DBED C=CCNC(=O)[C@H](C)N1CC(NC(=O)c2cncnc2C)C1 1753371078 CCPUXCZSRLBNPM-NSHDSACASA-N 303.366 -0.110 30 20 DBED C#CCCN[C@H](CC)CNC(=O)Cn1nc2n(c1=O)CCCC2 1753492132 ICADYDYYONTHAB-CYBMUJFWSA-N 319.409 -0.111 30 20 DBED C=CCN1CC[C@@H](NCC[C@H](C)NC(=O)c2cn(C)nn2)C1=O 1753962050 IWUQUECHBZEENT-NWDGAFQWSA-N 320.397 -0.300 30 20 DBED CCN(CCNCC#CCOC)C(=O)CCc1cn(C)nn1 1754086095 WLGMTOPSFIANNU-UHFFFAOYSA-N 307.398 -0.164 30 20 DBED CC#CCN[C@@H]1CCN(C(=O)Cn2ncn(C)c2=O)C[C@@H]1CC 1754464793 MMDHHUPOVHSGRW-UONOGXRCSA-N 319.409 -0.178 30 20 DBED C#CCCN1CC[C@@H]1CNC(=O)Cn1nc2n(c1=O)CCCC2 1754496095 CECQHVGMANYGDZ-CYBMUJFWSA-N 317.393 -0.405 30 20 DBED C=CCOCCN1CC[C@](O)(CNC(=O)c2cnns2)C1 1754745814 ICIZMGLCWGBBIW-ZDUSSCGKSA-N 312.395 -0.093 30 20 DBED C#CCCN1CC(O)(CNC(=O)Cn2nnc3c2CCCC3)C1 1754774709 XMNYNBVMANWFKU-UHFFFAOYSA-N 317.393 -0.657 30 20 DBED C[C@@H](NCC(=O)NCC#N)[C@@H]1CCN(C(=O)CSCC#N)C1 1754788149 QYOYFBSOWPYJDE-VXGBXAGGSA-N 323.422 -0.290 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(NCc2nnn(C)n2)CCC1 1754979840 FQGYSPVLDQCHDL-CYBMUJFWSA-N 308.386 -0.334 30 20 DBED N#CCNC(=O)CNC[C@@H]1CN(C(=O)c2cccnc2)CCO1 1754997055 VOQIEXQNEMDQCL-CYBMUJFWSA-N 317.349 -0.848 30 20 DBED C#CCN1CC[C@@H](NC(=O)CCCS(N)(=O)=O)C(C)(C)C1 1755141517 IMQCPGGQOHRJIC-GFCCVEGCSA-N 315.439 -0.095 30 20 DBED C#CCCNCC1(O)CCN(C(=O)C2CC(=O)NC(=O)C2)CC1 1755153663 MFHHJSCKXAFSFE-UHFFFAOYSA-N 321.377 -0.994 30 20 DBED C#CCCN1CC(CCO)(NC(=O)CCc2cnn(C)n2)C1 1755336306 OJJMIJOKLHYSJU-UHFFFAOYSA-N 305.382 -0.676 30 20 DBED C#CCNC(=O)CN1C[C@H]2CC[C@H]1CN2C(=O)Cc1cnc[nH]1 1755397473 HERFFIRQMXFGAG-UONOGXRCSA-N 315.377 -0.623 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H](C)CN(C)C(=O)Cc1n[nH]c(C)n1 1755586956 SNPLDKKQWIGWRW-WDEREUQCSA-N 322.413 -0.217 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@H](CO)NCC(=O)NC(C)(C)C 1755624912 AZNSPWNNOXDERH-IAQYHMDHSA-N 315.414 -0.705 30 20 DBED COc1ccn2c(C(=O)NC[C@H](CO)NCC#N)cnc2c1 1755632458 FJCNBPXRBINAGB-SNVBAGLBSA-N 303.322 -0.453 30 20 DBED C=CCOCCN[C@H]1CN(C(=O)Cn2ncnn2)CC1(C)C 1755759688 WFJLBNZRCHQZJA-LBPRGKRZSA-N 308.386 -0.298 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C[C@H]1CCCN1C(=O)c1cnn[nH]1 1755919386 GZUTXNFCVUQWCX-VXGBXAGGSA-N 319.365 -0.094 30 20 DBED C=CCOCC(=O)NCC1[C@H]2CN(C(=O)[C@H]3CCC(=O)N3)C[C@H]12 1756194718 JWKRCEPWSKJTGV-JHJVBQTASA-N 321.377 -0.712 30 20 DBED COc1cccc(C(=O)N[C@H](CO)CNC(=O)C#CC(C)C)n1 1756516975 CBJDXQFZSWEGDN-LBPRGKRZSA-N 319.361 -0.044 30 20 DBED C#CCOCCC(=O)N[C@H](CO)CNC(=O)c1nccs1 1756545812 TWAOPXGTXTXRSM-JTQLQIEISA-N 311.363 -0.610 30 20 DBED C#Cc1ccc(C(=O)N[C@@H](CO)CNC(=O)c2ccnnc2)cc1 1756551101 BIMRPDNVXJVPTK-OAHLLOKOSA-N 324.340 -0.021 30 20 DBED C#CCOCCC(=O)NC1CC(N(C)C(=O)CNC(C)=O)C1 1756732728 JPQLVJDLJBVQSB-UHFFFAOYSA-N 309.366 -0.732 30 20 DBED C=C(Cl)Cn1nnnc1N1CCC[C@H](S(=O)(=O)NC)C1 1771993672 DJALECYDADEJCY-VIFPVBQESA-N 320.806 -0.056 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)Cc1cncnc1)CCO2 1783047814 IWCNTXBIFZSRGM-INIZCTEOSA-N 314.345 -0.518 30 20 DBED N#CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(O)[nH]1)C2 1795082676 YEVRNKOXDWCQJB-BZBKMWRSSA-N 319.321 -0.768 30 20 DBED C#CCCC(=O)N1CCC(N2CCC(NC(=O)CN)CC2)CC1 1834672084 RSZQISNKDZVBAO-UHFFFAOYSA-N 320.437 -0.070 30 20 DBED COC[C@H](C)NC(=O)NC(=O)Cn1ccc(C)c(C#N)c1=O 274331821 LMQZYOGHCLCIKX-JTQLQIEISA-N 306.322 -0.111 30 20 DBED C[C@H]1CN/C(=N\CCCN2CCN(c3ncccn3)CC2)N1 285051549 LDQJMAYZDLQSJO-ZDUSSCGKSA-N 303.414 -0.074 30 20 DBED N#Cc1ccc(S(=O)(=O)N2CC(N3CCNC3=O)C2)cc1 288856355 FPXKNSXHCYDVDO-UHFFFAOYSA-N 306.347 -0.044 30 20 DBED C[C@@H](CN1CCOCC1)NS(=O)(=O)c1cncc(C#N)c1 289360944 AGGAUJXVDNUETN-NSHDSACASA-N 310.379 -0.048 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H](CCC)OC)C1=O 295514290 UWNVDMVTKJILLY-SNVBAGLBSA-N 311.338 -0.106 30 20 DBED CN1N=C(C(=O)N(CCC#N)CCN2CCOCC2)CCC1=O 299560862 VKADSPAYTWQDGW-UHFFFAOYSA-N 321.381 -0.331 30 20 DBED CN1C[C@H](/N=C(/O)N2CCS(=O)(=O)C(C)(C)C2)CC1=O 329693798 FEPRNFOCLYFGIU-SECBINFHSA-N 303.384 -0.360 30 20 DBED O=C1COCCN1CC(=O)N1CC[C@@H](N/C(O)=N/C2CC2)C1 329869450 YVIBOMGIFJAFKS-LLVKDONJSA-N 310.354 -0.888 30 20 DBED C[C@H]1CN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC[S@@](=O)C1 330337879 UONLRNRWTQTBFQ-JLTPVHFHSA-N 310.379 -0.840 30 20 DBED CC[C@H]1C(=O)NCCN1S(=O)(=O)N(CCC#N)CCOC 330409658 YHPPJECILJUPOE-NSHDSACASA-N 318.399 -0.696 30 20 DBED C[C@H](/N=C(/O)c1ccoc1)C(=O)N1CCN(C(=O)CO)CC1 330502811 XQDWCCWSPWRNFB-JTQLQIEISA-N 309.322 -0.364 30 20 DBED Cc1ccc(C(=O)N2CC(O)C2)cc1S(=O)(=O)NCC#N 331947687 HRJAWSDYQVXKES-UHFFFAOYSA-N 309.347 -0.386 30 20 DBED C[C@H](CO[C@H]1CCOC1)NS(=O)(=O)N1CCO[C@@H](C#N)C1 336901067 QOPXSHFSMYAZML-WOPDTQHZSA-N 319.383 -0.761 30 20 DBED C[C@@H]1COC(C)(C)CN1S(=O)(=O)N1CCO[C@H](C#N)C1 337159089 RJNKMTVIXKNNLE-GHMZBOCLSA-N 303.384 -0.045 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N1CSC[C@@H]1C(=O)N(C)C 337844309 WMXDFNZBETYNDW-VHSXEESVSA-N 320.440 -0.072 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N2CCOCC(F)(F)C2)CCO1 341896889 KVAMPEARCUIECF-SECBINFHSA-N 311.310 -0.577 30 20 DBED COC(=O)c1ccc(C(=O)NCCn2cnc(C#N)n2)nc1 356295497 PXNGWCGDEDPRMZ-UHFFFAOYSA-N 300.278 -0.239 30 20 DBED C=C[C@@H](C)NC(=O)N(CC)CC(=O)N[C@@H]1CCS(=O)(=O)C1 361527607 IGJCWOCPIDUKKD-GHMZBOCLSA-N 317.411 -0.104 30 20 DBED N#CC1(CS(=O)(=O)NCCCN2CCNC(=O)C2)CC1 361821713 VYRQBAFHMNVEEY-UHFFFAOYSA-N 300.384 -0.969 30 20 DBED Cn1cc(N2CC[C@@H](NC(=O)N3CCO[C@@H](C#N)C3)C2=O)cn1 408186490 UJNPQCQGZGOKGD-NWDGAFQWSA-N 318.337 -0.541 30 20 DBED C=CCOC[C@H](NC(=O)c1c(C)nc(N)nc1C)C(=O)OC 435931972 ALRGALURPQGMAO-JTQLQIEISA-N 308.338 0.150 30 20 DBED C#CCNC(=O)CN1CCN(CC(=O)N(C(C)C)C(C)C)CC1 491125510 FIXRUBAGCXBQFY-UHFFFAOYSA-N 322.453 -0.001 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)CCc2ccncn2)CC1 491426166 DVAYWJXPPWDRTE-UHFFFAOYSA-N 315.377 -0.697 30 20 DBED C#CCN1CCN(C(=O)CN2CCOC[C@H]2CCOC)CC1 491781868 KZMMVPITWKTZSO-OAHLLOKOSA-N 309.410 -0.499 30 20 DBED C[C@H](NC(=O)Cn1cnc(C#N)n1)C(=O)NCc1ccccc1 495075885 VTNJPELVIFWGHC-NSHDSACASA-N 312.333 -0.029 30 20 DBED COC(=O)CCN1CC[C@@H](NC(=O)c2ccc(C#N)cn2)C1=O 534306518 BFHGCYZLYDRZIZ-GFCCVEGCSA-N 316.317 -0.153 30 20 DBED Cc1cc(NCCNC(=O)[C@@H](C)n2cnc(C#N)n2)n(C)n1 574923569 IBBZIJCTWQHEBC-SNVBAGLBSA-N 302.342 -0.019 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(Cc2cn(C)nc2C)c1=O 578954567 NBMGZPJWQALCLX-UHFFFAOYSA-N 317.349 -0.366 30 20 DBED CC[C@@H](NC(=O)N1CC[C@@](O)(CC#N)C1)C(=O)N1CCOCC1 591974177 JJJMOQLADMYQHR-DOMZBBRYSA-N 324.381 -0.316 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)CNS(=O)(=O)c2cccnc2)C1 592949825 NQNQHRDGIZHQEN-CYBMUJFWSA-N 324.362 -0.763 30 20 DBED COc1cc(C#N)ccc1NC(=O)C(=O)N1C[C@H](O)[C@H](O)C1 615323305 CASFENHFIYLAJV-PHIMTYICSA-N 305.290 -0.931 30 20 DBED CC#CC[C@H](CO)NC(=O)NCCCN1CCCS1(=O)=O 645243130 ATKJQADOFDAUQI-GFCCVEGCSA-N 317.411 -0.515 30 20 DBED C=CCOCCNC(=O)N1CCS(=O)(=O)[C@H]2COCC[C@@H]21 662011287 BSMJYZRFZOOIKU-RYUDHWBXSA-N 318.395 -0.214 30 20 DBED C=C[C@](C)(O)CC(=O)NCCN1CCN(S(C)(=O)=O)CC1 685638881 SACYFYKWDVENMZ-ZDUSSCGKSA-N 319.427 -0.993 30 20 DBED CCO[C@@H]1C[C@H]1C(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1 732909539 CEAREAOREKMCDF-GMTAPVOTSA-N 314.363 -0.623 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCCOC2CCC2)C1=O 742817516 UWTRWHMLJVUPJF-UHFFFAOYSA-N 309.322 -0.352 30 20 DBED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@H](O)C1 754355353 IQTUHPKFADXABI-JTQLQIEISA-N 323.374 -0.292 30 20 DBED COc1cc(C=NNC2=NC(=O)C(=O)N2)c([N+](=O)[O-])cc1OC 765595302 INACOPWVQDESCL-UHFFFAOYSA-N 321.249 -0.452 30 20 DBED C#C[C@@H](NC(=O)NCCC(=O)N1CCN(C)CC1)[C@H]1CCCO1 776115344 OZLKRGXUIQTMTJ-ZIAGYGMSSA-N 322.409 -0.370 30 20 DBED C#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@H]1CNC(=O)C1 784868672 NQLMKRFKJCTDRK-SNVBAGLBSA-N 319.292 -0.219 30 20 DBED C[C@@H](NC(=O)C(=O)NCCS(C)(=O)=O)c1ccc(C#N)cc1 787346254 AWHBTYAWTGVRKZ-SNVBAGLBSA-N 323.374 -0.104 30 20 DBED C#C[C@@H](NC(=O)C(=O)N1CCc2c[nH]nc2C1)[C@@H]1CCCO1 809305864 KRSVMMOHHWQHDI-YPMHNXCESA-N 302.334 -0.409 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCN(CC2CC2)CC1)[C@H]1CCCO1 809308487 LUYKBKZRKGXKFJ-LSDHHAIUSA-N 319.405 -0.162 30 20 DBED CCCc1nnc(SCC(=O)N2CCOC[C@@H]2C#N)n1N 813463680 UPBQOXUSBGGJGV-VIFPVBQESA-N 310.383 -0.213 30 20 DBED Cn1cc(S(=O)(=O)NN=C2CC3(CC3)C2)c(=O)n(C)c1=O 814883321 JGRQPQFYJXLWCE-UHFFFAOYSA-N 312.351 -0.708 30 20 DBED C#CC[C@@H](CO)NC(=O)CN(C)S(=O)(=O)c1cccnc1 816673295 WDIIVIAWHRRYED-NSHDSACASA-N 311.363 -0.798 30 20 DBED O=C(N[C@H]1CCCN(O)C1=O)c1ccc(-n2cncn2)nc1 820482742 QSYKIJLEMCKRRR-JTQLQIEISA-N 302.294 -0.228 30 20 DBED CN1C(=O)N[C@@]2(CCN(C(=O)[C@](C)(C#N)CC(=O)O)C2)C1=O 820615945 ZXNXWEKNSOMKSQ-QWHCGFSZSA-N 308.294 -0.856 30 20 DBED C#CCN1CCN(C(=O)CN[C@H]2CCC[C@H]2C(=O)OC)CC1 830990608 JWMGIIRTNITLDN-KGLIPLIRSA-N 307.394 -0.305 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCOC2)CC1 831560912 KWVPRTJIKUNCKG-GFCCVEGCSA-N 315.395 -0.975 30 20 DBED CS(=O)(=O)NC(=O)CCNC(=O)c1cc(C#N)ccc1F 834325155 XTLMUUKCYAYFPI-UHFFFAOYSA-N 313.310 -0.107 30 20 DBED COCCN(C)C[C@@H](O)CN1CCC(C#N)(C(=O)OC)CC1 846959707 RRDJXCGNIJNJAO-CYBMUJFWSA-N 313.398 -0.296 30 20 DBED C#CCNC(=O)Cn1c(=O)c(Br)cn(C)c1=O 853706508 LIBLCPPDVKNQGE-UHFFFAOYSA-N 300.112 -0.941 30 20 DBED CON(C)C(=O)[C@H](C)NC(=O)C(=O)Nc1cc(C)c(C#N)cn1 862160466 JACMEMRFAJKSJW-VIFPVBQESA-N 319.321 -0.275 30 20 DBED CCn1cnc2c1CCN(c1c(C#N)c(=O)n(C)c(=O)n1C)C2 896653168 ALJGAASNHBZWHJ-UHFFFAOYSA-N 314.349 -0.265 30 20 DBED C=CCn1cccc1C(=O)N1C[C@@H](NC(=O)C(N)=O)[C@H](C)C1 939691322 IFFNJRREXRSFDA-GHMZBOCLSA-N 304.350 -0.264 30 20 DBED C#CCCN1CCOC2(CCN(C(=O)[C@H]3CCNC3=O)CC2)C1 949433233 JUQMYRMJULVKII-AWEZNQCLSA-N 319.405 -0.161 30 20 DBED CN1C(=O)CC[C@@H]1C(=O)N1CCC2(CC1)CN(CC#N)CCO2 949446985 ITQPAKVVMBCVSK-CYBMUJFWSA-N 320.393 -0.176 30 20 DBED COc1ncc(C(=O)NC[C@@H]2CCN2C(=O)[C@H](C)C#N)cn1 951941470 NRFGYSFHKHWHSJ-KOLCDFICSA-N 303.322 -0.024 30 20 DBED C#Cc1ccc(C(=O)N[C@]2(C)CCN(C(=O)CC(N)=O)C2)nc1 957250325 ZYPZOVBEWNWBFI-MRXNPFEDSA-N 314.345 -0.341 30 20 DBED C=C(C)CN1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)CC1 957315117 YBOSOESIBVGAGW-UHFFFAOYSA-N 302.338 -0.249 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](CNC(=O)c2ccnc3[nH]nnc23)C1 958249616 VXNAXIMIBNNADO-ZYHUDNBSSA-N 316.365 -0.049 30 20 DBED CC#CCN1C[C@H](O)[C@H](CNC(=O)c2cn(CCC)nn2)C1 958552213 RBGGANZEEVMMNI-OCCSQVGLSA-N 305.382 -0.266 30 20 DBED N#CCN1C[C@@H](O)[C@H](CNC(=O)c2cc3c(cn2)OCCC3)C1 958630654 KCCLDUTWPWZKOF-TZMCWYRMSA-N 316.361 -0.047 30 20 DBED C=C1CC(C)(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)c3nc[nH]n3)C2)C1 958919433 CATGPRBKGOMHMR-QWRGUYRKSA-N 319.365 -0.195 30 20 DBED O=C(c1cnn[nH]1)N1C[C@H]2[C@@H](C1)OCCN2C(=O)C#CC1CC1 960360497 BZHINOPPVOJEBS-QWHCGFSZSA-N 315.333 -0.730 30 20 DBED CCN(C(=O)[C@H]1CCCNC1=O)C1CN(C(=O)C#CC2CC2)C1 968047488 AQQRKYUEDXDSJK-AWEZNQCLSA-N 317.389 -0.015 30 20 DBED C[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1O 969547606 ZCMQEDDDMIFYFH-STRQVWJDSA-N 302.334 -0.156 30 20 DBED CNC(=O)[C@H](C)N1CCO[C@@]2(CCN(C(=O)C#CC3CC3)C2)C1 972381038 LUADRPOVIMDIQS-GUYCJALGSA-N 319.405 -0.162 30 20 DBED C#CCCN1CCO[C@@]2(CCN(C(=O)C3(C(N)=O)CC3)C2)C1 972529065 XMKHMQCMCQNYMJ-HNNXBMFYSA-N 305.378 -0.422 30 20 DBED C#CCN1C[C@@H](NC(=O)c2cn(CCOC)nn2)C(C)(C)C1 974587815 NKPRUPZRDQWTSC-CYBMUJFWSA-N 305.382 -0.002 30 20 DBED N#Cc1cc(C(=O)N2C[C@H]3[C@H](NC(=O)c4nc[nH]n4)[C@H]3C2)c[nH]1 976982698 YKGUUCNJYFXIHR-URLYPYJESA-N 311.305 -0.495 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CN(CC(=O)NC)CC2(C)C)nn1 977250390 JZNVNFQGRRYZGA-GFCCVEGCSA-N 320.397 -0.350 30 20 DBED C#CCN1C[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)C(C)(C)C1 977568384 RXBIWPHUOQZTHR-LLVKDONJSA-N 306.366 -0.660 30 20 DBED N#CCN1C[C@H]2C(CNC(=O)c3ccc(-n4cnnn4)cn3)[C@@H]2C1 978522835 CWZHREVAUZYKBZ-STQMWFEESA-N 324.348 -0.512 30 20 DBED O=C1N[C@@H](C(=O)NC[C@@H]2CCN(C(=O)C#CC3CC3)C2)CO1 982741352 HACZILAKNFQGHM-NWDGAFQWSA-N 305.334 -0.527 30 20 DBED CN1CCC[C@@H]1C(=O)NC1CN(C(=O)c2c[nH]c(C#N)c2)C1 990516334 IUEGJJOXDHJLRW-CYBMUJFWSA-N 301.350 -0.079 30 20 DBED N#Cc1ccc(C(=O)NC2CN(C(=O)[C@H]3COCCO3)C2)[nH]1 990883940 GAGIAOXSWSRVNA-GFCCVEGCSA-N 304.306 -0.758 30 20 DBED C[C@H](C#N)C(=O)N1CC(NC(=O)CN2C(=O)CC(C)(C)C2=O)C1 991856666 HOAZINTYTJMMMU-SECBINFHSA-N 320.349 -0.742 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@]2(C)CCOC2)C1 998427736 GKXTYUJIVFYWJA-YOEHRIQHSA-N 319.405 -0.162 30 20 DBED C[C@@]1(C(=O)NC2CN(C(=O)c3c[nH]c(C#N)c3)C2)CCC(=O)N1 999145893 STXYWEMGJGCEOB-HNNXBMFYSA-N 315.333 -0.504 30 20 DBED N#CCN1CCC[C@H]1C1CCN(C(=O)[C@H]2CNC(=O)N2)CC1 1004530218 PBRUMLJHNPQSDJ-OLZOCXBDSA-N 305.382 -0.106 30 20 DBED C#Cc1cncc(C(=O)N[C@H](C)C2CN(C(=O)CC(N)=O)C2)c1 1006829374 SMQLXLJNIUWUDT-SNVBAGLBSA-N 314.345 -0.485 30 20 DBED Cc1nc(CC(=O)N2CC3(CCN(C(=O)[C@@H](C)C#N)C3)C2)n[nH]1 1019009062 JSULIYPBPYLIND-JTQLQIEISA-N 316.365 -0.124 30 20 DBED C[C@H]1[C@@H](NC(=O)[C@@H]2CCC(=O)N2C)CCN1C(=O)[C@H](C)C#N 1020537631 YSGSLKWOGGDGJS-RHYQMDGZSA-N 306.366 -0.128 30 20 DBED N#CCN[C@H]1C[C@@H](NC(=O)c2ccc(OCC(N)=O)cc2)C1 1022392589 KIOUCHYBLMMDTG-TXEJJXNPSA-N 302.334 -0.075 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]2CN(C(=O)CCc3cnn[nH]3)C[C@H]21 1022568154 OAQQGAKNXVQDBR-NTZNESFSSA-N 316.365 -0.044 30 20 DBED C=CCN1CC[C@H](N2C[C@H]3[C@H](NC(=O)[C@H]4CCCO4)[C@H]3C2)C1=O 1025668283 UNNLTFBUOKGHQK-XPABHHOTSA-N 319.405 -0.001 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1[C@@H]2CN([C@H]3CCCNC3=O)C[C@@H]21 1026057029 SNUYETAYCOMPNZ-UMBPPFEGSA-N 319.405 -0.098 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2CCCN2[C@@H]2CCNC2=O)nn1 1028188073 SFCOJGZSVKZTMT-DGCLKSJQSA-N 318.381 -0.453 30 20 DBED CC#CCN1CC[C@H](CNC(=O)C2CC3(C2)NC(=O)NC3=O)C1 1028865075 VGFCRDVCJLIWSN-OPGSHWCFSA-N 318.377 -0.564 30 20 DBED C=CCn1cc(C(=O)NCC2CN(CCn3cncn3)C2)nn1 1032035305 UKEBKXRLJSGUTM-UHFFFAOYSA-N 316.369 -0.583 30 20 DBED CC(=O)N1CCOC[C@@H]1C(=O)N[C@H]1CCCCN(CC#N)C1 1034533201 SOFCHKWASLYKJD-UONOGXRCSA-N 308.382 -0.272 30 20 DBED C#CCN1CCO[C@H](CNC(=O)[C@@H]2CCC(=O)N2C(C)C)C1 1035482833 JYZFTMOOMIEGGA-KGLIPLIRSA-N 307.394 -0.164 30 20 DBED C=CCN1CCO[C@H](CNC(=O)[C@@H]2CCCS(=O)(=O)C2)C1 1035531804 UFNBVXSKUZQINY-CHWSQXEVSA-N 316.423 -0.186 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2CCN2Cc2nncn2C)nn1 1038782009 KCGYFHFWPUZJEM-NSHDSACASA-N 316.369 -0.403 30 20 DBED C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CN1CCNC(=O)C1 1039416083 JCQXNYSSTHRGEZ-KGLIPLIRSA-N 304.394 -0.883 30 20 DBED N#Cc1cnccc1N1C[C@@H](O)[C@H](NC(=O)Cc2ncc[nH]2)C1 1041134481 URRQVLZQCKEIQH-DGCLKSJQSA-N 312.333 -0.415 30 20 DBED N#Cc1nccc(N2C[C@@H](O)[C@H](NC(=O)Cc3cnoc3)C2)n1 1041295048 WSCJKGCDYBXQPU-GHMZBOCLSA-N 314.305 -0.755 30 20 DBED N#Cc1cncc(N2C[C@@H](O)[C@H](NC(=O)c3n[nH]cc3F)C2)n1 1041328010 SJIBRPCJGXCSQP-NXEZZACHSA-N 317.284 -0.810 30 20 DBED C=CCN1CC[C@@]2(CCN(C(=O)CN3C(=O)CNC3=O)C2)C1 1041819214 CEFFCKZNUOFACZ-OAHLLOKOSA-N 306.366 -0.351 30 20 DBED C#CCCCCC(=O)NCC1(O)CN(C(=O)c2[nH]nnc2C)C1 1042660855 IHMLYCKHLWWLDF-UHFFFAOYSA-N 319.365 -0.390 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)C2CN(C(C)=O)C2)C1 1042786759 WLMPAQMOENBNNZ-UHFFFAOYSA-N 309.366 -0.880 30 20 DBED C#CCC1(C(=O)N2CC(O)(CNC(=O)[C@H](O)C(C)C)C2)CCC1 1042879557 PPJAZARYMBRMEJ-CYBMUJFWSA-N 322.405 -0.114 30 20 DBED C=CCCn1cc(C(=O)NCC2(O)CN(C(=O)C3CC3)C2)nn1 1043228203 HWSGSJJNKYOZJE-UHFFFAOYSA-N 319.365 -0.433 30 20 DBED CN1CCCC[C@H]1C(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1043771812 ZOILFLILEPRYDK-AWEZNQCLSA-N 319.405 -0.426 30 20 DBED Cc1nnccc1C(=O)N1CC(O)(CNC(=O)[C@@H](C)C#N)C1 1045546035 GXXFJNZCIHALBE-VIFPVBQESA-N 303.322 -0.752 30 20 DBED N#Cc1cnc(N[C@H]2C[C@@H](CNC(=O)[C@H]3COC(=O)N3)C2)cn1 1046369959 QSSXVKDLPYRGGX-WCABBAIRSA-N 316.321 -0.237 30 20 DBED C#CCN1CCC(C(=O)N[C@@]2(C)CCN([C@@H](C)C(N)=O)C2)CC1 1046850633 YYBBTTUMFZNKBK-GUYCJALGSA-N 320.437 -0.214 30 20 DBED C=C1CC(C)(C(=O)N2CC(O)(CNC(=O)Cc3nc[nH]n3)C2)C1 1046904854 KODVHBGAEMKVKD-UHFFFAOYSA-N 319.365 -0.607 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CCC(=O)N2C)C1 1047480782 ROFXSPOJQYGYAF-IHRRRGAJSA-N 307.394 -0.476 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C(N)=O)cs2)C1 1047639780 PQOQIOCVAJXYKE-QWRGUYRKSA-N 307.375 -0.403 30 20 DBED C=CCCC(=O)N(C)[C@H]1CN(C(=O)Cc2nnc(C)o2)C[C@@H]1O 1048523439 ODQZMPIBWRGXDJ-RYUDHWBXSA-N 322.365 -0.083 30 20 DBED C=C(C)CCC(=O)N(C)[C@H]1CN(C(=O)c2ncn(C)n2)C[C@@H]1O 1048937347 GZYZTYWQFOWCNI-RYUDHWBXSA-N 321.381 -0.185 30 20 DBED C#CCOCCC(=O)N1CC[C@H]([C@@H](C)NC(=O)CNC(C)=O)C1 1050728940 NXTSNUZNUFLJLV-OCCSQVGLSA-N 323.393 -0.484 30 20 DBED CC#CCN1CCOC[C@H]1CNC(=O)c1cncc(OC)n1 1051147825 QAIMYUKVYQALAO-GFCCVEGCSA-N 304.350 -0.061 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H](CNCc2nnnn2C2CC2)C1 1051494083 DMLIHYDKPGTXJE-JQWIXIFHSA-N 319.369 -0.515 30 20 DBED CN1C(=O)CC[C@@H]1C(=O)N1CC[C@@H](N2CCN(CC#N)CC2)C1 1052068251 CTDDNWVKDCHSSA-ZIAGYGMSSA-N 319.409 -0.651 30 20 DBED C=CCN1CCN([C@@H]2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)CC1 1052085241 BASLATKLLXHRRX-MCIONIFRSA-N 306.410 -0.488 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)[C@H]1CCN(C)C(=O)C1)CCO2 1053315017 ZLHPQYMQXVIHIP-AWEZNQCLSA-N 319.405 -0.209 30 20 DBED C[C@@H](O)CN1CC2(C[C@@H](NC(=O)c3cc(C#N)c[nH]3)CO2)C1 1053765914 AHXGAGDOWYWSST-ZYHUDNBSSA-N 304.350 -0.160 30 20 DBED C=CCN1CC2(C[C@H](NC(=O)[C@@H]3CCCN(C(N)=O)C3)CO2)C1 1053864451 AMBDDCLRFSCKGE-OLZOCXBDSA-N 322.409 -0.077 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)c3ccc(C(N)=O)[nH]3)CO2)C1 1053926942 OSTFUOGGXGBHGP-NSHDSACASA-N 316.361 -0.290 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2COC3(C2)CN(C[C@H](C)O)C3)nn1 1053949390 GDTPOWGFVLBYEH-RYUDHWBXSA-N 321.381 -0.582 30 20 DBED N#Cc1cnc(N2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)c(F)c1 1056023957 ILRPCTXUPAEXRR-MNOVXSKESA-N 317.324 -0.138 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@](CO)(NC(=O)c2ccncn2)C1 1056069745 DBKBNMQORXIYPF-ABAIWWIYSA-N 317.349 -0.280 30 20 DBED Cc1c[nH]nc1C(=O)N1CCC[C@](CO)(NC(=O)[C@@H](C)C#N)C1 1056094120 QHSAWQQLFYQSIL-BONVTDFDSA-N 319.365 -0.039 30 20 DBED CN1CCC[C@@H]1C(=O)N[C@H]1[C@@H]2CN(c3nccnc3C#N)C[C@@H]21 1056149583 MPSJDINQJMVWGI-WVWOOGAGSA-N 312.377 -0.007 30 20 DBED CC(=O)NCC(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)[C@H](C)C#N 1056193043 FGMCWPRBBZFVPN-RAIGVLPGSA-N 306.366 -0.126 30 20 DBED N#Cc1ccc(N2C[C@H]3C(NC(=O)[C@@H]4CCC(=O)N4)[C@@H]3C2)cn1 1056265002 YRHOWLVKAJOIAG-UPJWGTAASA-N 311.345 -0.217 30 20 DBED N#Cc1cnc(N2C[C@H]3C(NC(=O)Cc4nc[nH]n4)[C@@H]3C2)cn1 1056296268 GUEUCIMRABJRLI-NXEZZACHSA-N 310.321 -0.740 30 20 DBED N#Cc1nc(N2C[C@H]3[C@H](NC(=O)C(N)=O)[C@H]3C2)sc1Cl 1056381622 ACYMGYSPEYZPRE-KCQQBQQISA-N 311.754 -0.296 30 20 DBED O=C(C#CC1CC1)NCCN(CCO)C(=O)c1cnccn1 1056834030 PRAYJAMPHOYSCY-UHFFFAOYSA-N 302.334 -0.559 30 20 DBED CO[C@@H](C)C(=O)NCCN(CCO)C(=O)c1cc(C#N)c[nH]1 1057291671 NNUVSCYUHMVGMK-JTQLQIEISA-N 308.338 -0.528 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)[C@H]1CN(C)C[C@@H]1C 1057445531 YOHWTBKZFKRVDK-GJZGRUSLSA-N 323.437 -0.075 30 20 DBED CCn1ccnc1C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N 1057456843 LODSYYYQLYBCIR-NSHDSACASA-N 307.354 -0.387 30 20 DBED N#Cc1cnc(N[C@H]2CCCN(C(=O)[C@H]3COC(=O)N3)C2)cn1 1057631672 UQMIIRGTENBYSQ-GXSJLCMTSA-N 316.321 -0.140 30 20 DBED Cn1cnc(C(=O)N2CCC[C@H](N=c3cc[nH]c(C#N)n3)C2)n1 1057637464 JROAGXZTYYZXKN-JTQLQIEISA-N 312.337 -0.385 30 20 DBED Cc1cc(C#N)nc(N2CC[C@H](NC(=O)c3cn(C)nn3)C2)n1 1058347343 RLOSLPICOROGLE-JTQLQIEISA-N 312.337 -0.206 30 20 DBED N#Cc1cnc(N2CC[C@@H](NC(=O)[C@@H]3COC(=O)N3)C2)c(F)c1 1058350496 MIRYJVQXDJROBX-KOLCDFICSA-N 319.296 -0.104 30 20 DBED CN1C[C@@H](C(=O)N[C@@H]2CCN(c3nccnc3C#N)C2)NC1=O 1058504203 JLAGRYJJACPLCM-KOLCDFICSA-N 315.337 -0.933 30 20 DBED C[C@]1(C(=O)N[C@H]2CCN(c3ccc(C#N)nn3)C2)CCNC1=O 1058541955 XHZHHEVTYXLNAE-NHYWBVRUSA-N 314.349 -0.431 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)c1ccc(C#N)[nH]1 1058652973 JGPDBVDISRAHGO-JTQLQIEISA-N 303.322 -0.403 30 20 DBED Cn1nc(C(=O)N[C@H]2C[C@H](N=c3cc[nH]cc3C#N)C2)ccc1=O 1059226030 ICOYDOVTLAFTSG-HAQNSBGRSA-N 324.344 -0.158 30 20 DBED C#CCCCCCC(=O)NC[C@H]1COCCN1C(=O)CC(N)=O 1061756516 IMOHPZWCWXAMCJ-ZDUSSCGKSA-N 323.393 -0.211 30 20 DBED O=C(C#CC1CC1)NCC1(NC(=O)[C@H]2COC(=O)N2)CCC1 1062974103 MLSXCKJGJXHLKJ-LLVKDONJSA-N 305.334 -0.337 30 20 DBED C=C[C@](C)(O)CC(=O)NC1(CNC(=O)Cn2ncnn2)CCC1 1063147011 UZCZUHCFAXTRFI-ZDUSSCGKSA-N 322.369 -0.845 30 20 DBED CCNC(=O)CC(=O)NC[C@@H]1CN(C(=O)C#CC(C)C)CCO1 1065129892 WMLQPEXFVQXRDE-CYBMUJFWSA-N 323.393 -0.484 30 20 DBED CCCN(C)CC(=O)N1CCO[C@@H](CNC(=O)[C@@H](C)C#N)C1 1065405887 CJVAPXLZAAOJFP-STQMWFEESA-N 310.398 -0.169 30 20 DBED CN(C(=O)c1cnon1)[C@H]1CN(c2ccc(C#N)nc2)C[C@@H]1O 1065600189 YSYOKSFNDJNJKE-STQMWFEESA-N 314.305 -0.342 30 20 DBED C#CCOCCC(=O)N1CC[C@H](N2CCN(C(C)=O)CC2)C1 1065704783 RRAXVWLXAACSTJ-HNNXBMFYSA-N 307.394 -0.209 30 20 DBED N#Cc1nc(=NCC[C@H]2CCN(C(=O)c3nc[nH]n3)C2)cc[nH]1 1066334013 DGPUHXLTMNMHAX-JTQLQIEISA-N 312.337 -0.147 30 20 DBED N#Cc1cnc(N2CCOC[C@@H]2CNC(=O)c2cocn2)cn1 1066470254 LQOGGQDWDPVUCX-NSHDSACASA-N 314.305 -0.029 30 20 DBED CC1(C)CN(c2ncc(C#N)cc2F)C[C@@H]1NC(=O)C(N)=O 1068133339 GVHWFWONUDERTP-JTQLQIEISA-N 305.313 -0.091 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC2(CN(C(=O)[C@@H](C)C#N)CCO2)C1 1068450957 CNKWAYKZTSDDSL-STQMWFEESA-N 319.361 -0.376 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2cn(C)c(O)n2)C1 1070018139 VCKZNWSEFZOESM-PWSUYJOCSA-N 317.353 -0.442 30 20 DBED C#CCOCCC(=O)N1CCC[C@@H](NC(=O)[C@@H]2CCC(=O)N2)C1 1070728007 CGKVXXGYSYCZBC-OLZOCXBDSA-N 321.377 -0.588 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCC(C)(NC(=O)CC(N)=O)CC1 1072985683 QCTDUYNHLXRJFN-OAHLLOKOSA-N 311.382 -0.314 30 20 DBED Cn1nc(C(=O)NC[C@@H]2CN(CC#N)CCCO2)ccc1=O 1073880796 TVGKGCPZXKUAMU-LLVKDONJSA-N 305.338 -0.875 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CCN(C(=O)c2cn(C)nn2)CC1 1074572331 GCLKBNRJLWHAGS-SNVBAGLBSA-N 320.353 -0.942 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)c1cnco1 1076220082 ONKVOHOCFKBVFG-JTQLQIEISA-N 306.322 -0.561 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)Cn2cc(C3CC3)nn2)C1 1077125021 IMXKNUPFYAYKDT-ZIAGYGMSSA-N 303.366 -0.660 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)c2cn(CC3CC3)nn2)C1 1077909045 LNDDSULWPKNQJA-TZMCWYRMSA-N 303.366 -0.514 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2cn(C3CCOCC3)nn2)C1 1077961667 YMUJBPCEZDOYPE-TZMCWYRMSA-N 319.365 -0.962 30 20 DBED CCN(C(=O)[C@@H]1CNC(=O)N1)C1CN(C(=O)C#CC(C)C)C1 1080385439 USGLJOPHLLGVQA-LBPRGKRZSA-N 306.366 -0.614 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CO)(NC(=O)c2cnsn2)CC1 1080746302 LSCAHGHOJOVZHE-SECBINFHSA-N 323.378 -0.219 30 20 DBED CCC(=O)NCC(=O)NC1(CO)CCN(C(=O)[C@@H](C)C#N)CC1 1080778579 KJQYLIZOJASLFQ-NSHDSACASA-N 324.381 -0.858 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2ncc[nH]2)C[C@H]1O 1081346254 GBFJTZOLOMNXKO-GHMZBOCLSA-N 308.338 -0.839 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)CCN(C)C)C[C@H]1O 1081439215 NIDCQASMGOYGHX-ZIAGYGMSSA-N 309.410 -0.323 30 20 DBED C#CCCCCCC(=O)NC[C@@H]1CN(C(=O)CC(N)=O)C[C@@H]1O 1081645980 UYKBTHDUHCQYEA-OLZOCXBDSA-N 323.393 -0.619 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN([C@H](C)C(N)=O)C[C@H]2OC)cn1 1082333684 UKAQTZJTSUNNRC-LERXQTSPSA-N 316.361 -0.634 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CO[C@@H]1CCOC1 1083080117 GQJYKAKAWFAUAE-QLFBSQMISA-N 308.378 -0.273 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1ccc(=O)n(C)n1 1083267030 FPYAHTIITDSPSH-UONOGXRCSA-N 316.361 -0.671 30 20 DBED Cc1nnc(CN2C[C@H](O)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)o1 1083414828 XMQLXKANBJRDJY-NEPJUHHUSA-N 316.321 -0.447 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2cc(Br)n[nH]2)C1 1083501501 QDCZPNUTZPVYCJ-BDAKNGLRSA-N 313.155 -0.420 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)C(C)(C)N2CCOCC2)C1 1083864619 XWPZPDHBAJGFFK-KGLIPLIRSA-N 309.410 -0.718 30 20 DBED N#CCN[C@H]1C[C@H](CNC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 1086365802 DGPSOOVSIBDNEW-IJLUTSLNSA-N 316.365 -0.229 30 20 DBED CC[C@@H]1[C@@H](NC(=O)[C@@H]2Cc3cncn3C(=O)N2)CCN1CC#N 1087667390 WBBUCSKBQSMIFC-RWMBFGLXSA-N 316.365 -0.142 30 20 DBED N#CCN1CC[C@H](NC(=O)Cc2cn3c(n2)CCCC3)[C@@H](O)C1 1090279752 OWTKHWJHFNXVPI-KBPBESRZSA-N 317.393 -0.163 30 20 DBED CC#CCN1CC[C@H](NC(=O)CN2CCCCC2=O)[C@@H](O)C1 1090383765 CKUHDDPVLSXMIP-KBPBESRZSA-N 307.394 -0.426 30 20 DBED C=CCN1CC[C@@H](NC(=O)Cc2c(C)nc(O)nc2O)[C@@H](O)C1 1090670048 AHJMVAILEICFHB-NEPJUHHUSA-N 322.365 -0.524 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CN2CCCCCC2=O)[C@H](O)C1 1090791330 SDVBKNGBZPNELG-HUUCEWRRSA-N 321.421 -0.036 30 20 DBED C=CCN1CC[C@H](NC(=O)c2cc(C(N)=O)ccn2)[C@@H](O)C1 1090859700 YVMCJMPXSOODQE-AAEUAGOBSA-N 304.350 -0.469 30 20 DBED C=CCN1CC[C@@H](NC(=O)c2cc(C(N)=O)ccn2)[C@@H](O)C1 1090859703 YVMCJMPXSOODQE-YPMHNXCESA-N 304.350 -0.469 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(c2nc(C)ns2)C[C@@H]1O 1091092927 POPSRBUJGQURFK-NRUUGDAUSA-N 312.395 -0.161 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(c2cncc(Cl)n2)C[C@@H]1O 1091150710 WIDUXGRRDMBACN-MNOVXSKESA-N 324.768 -0.164 30 20 DBED Cc1cc(N2C[C@H]3[C@H](NC(=O)[C@H](C)C#N)[C@H]3C2)nc(CO)n1 1093233496 ASYAIKLWZWZXNI-GJTWSCIVSA-N 301.350 -0.012 30 20 DBED N#Cc1cncc(NCCNC(=O)COC[C@H]2CCOC2)n1 1093866537 GHAIEMODICRKON-NSHDSACASA-N 305.338 -0.071 30 20 DBED CC#CCN1CC(N2C[C@H](NC(=O)Cc3cnc[nH]3)CC2=O)C1 1094789278 YWACPPYSCAQECH-CYBMUJFWSA-N 315.377 -0.623 30 20 DBED CC(=O)N(C)CC(=O)N1CC[C@H](N(C)c2ccc(C#N)nn2)C1 1095108907 KUECFEHMSOVXFZ-ZDUSSCGKSA-N 316.365 -0.136 30 20 DBED CCNC(=O)CC(=O)N1CCCN(c2ccc(C#N)nn2)CC1 1095177295 NVJHDDSSNILEAE-UHFFFAOYSA-N 316.365 -0.087 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCN(c2ncc(Cl)cn2)C1 1096359557 CWRGKVGOCWLWDF-LLVKDONJSA-N 321.768 -0.036 30 20 DBED N#Cc1cnccc1N1CC[C@H](NC(=O)CCNC(N)=O)C1 1096377742 HOULKHCUXXKZIG-NSHDSACASA-N 302.338 -0.293 30 20 DBED N#Cc1ccc(N2CC[C@H](NC(=O)CCn3cnnn3)C2)nn1 1096416206 VYWWXYMDFCKFLP-NSHDSACASA-N 313.325 -0.880 30 20 DBED CCNC(=O)CC(=O)N[C@H]1C[C@H](Nc2cncc(C#N)n2)C1 1097023119 HUQSNQLQUPDEEW-MGCOHNPYSA-N 302.338 -0.066 30 20 DBED C[C@H](CNC(=O)c1cnn(C)c1N)Nc1ccc(C#N)nn1 1097761999 AQLCQCSGGBUWRE-MRVPVSSYSA-N 300.326 -0.106 30 20 DBED C[C@H](CNC(=O)[C@@H]1CCS(=O)(=O)C1)Nc1cnc(C#N)cn1 1098136479 HRLRAEBQAOWWJJ-NXEZZACHSA-N 323.378 -0.300 30 20 DBED C#CCCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H]1CN(C(C)=O)CCO1 1098308242 GNPYDSMTFXXATR-WCVJEAGWSA-N 319.405 -0.022 30 20 DBED C#CCOCCC(=O)N1CCC(N(CCO)CCOC)CC1 1098364330 POWUVSTULPNHEQ-UHFFFAOYSA-N 312.410 -0.042 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(Cc2ccnn2C)C[C@H]1O 1099740768 JFDZAVVZYANWKY-UONOGXRCSA-N 308.382 -0.326 30 20 DBED C=CCCCN1CC[C@@H](NC(=O)CCS(C)(=O)=O)[C@@H](O)C1 1099894465 LHEXTJPMOFFMIQ-OLZOCXBDSA-N 318.439 -0.061 30 20 DBED C#CCN1CC[C@@H](NC(=O)CCOC2CCOCC2)[C@@H](O)C1 1100072432 VOBVKVYZFSYULQ-CABCVRRESA-N 310.394 -0.243 30 20 DBED C=CCCC(=O)NCC1CC(NCCN2C(=O)CNC2=O)C1 1100176830 HQHUTQISZKVDCI-UHFFFAOYSA-N 308.382 -0.011 30 20 DBED Cc1cc(N(C)CCNC(=O)[C@H]2CCNC2=O)c(C#N)cn1 1100270253 MOJZSEXWQUFXML-LBPRGKRZSA-N 301.350 -0.050 30 20 DBED Cc1cc(C#N)nc(N2CCC[C@@H]2CNC(=O)CC(N)=O)n1 1100811281 ASZROQFUGPGYLN-LLVKDONJSA-N 302.338 -0.383 30 20 DBED CC#CCNC1CC(CNC(=O)CN2CCC(=O)NC2=O)C1 1100837266 YBKGSAVDCKGCMD-UHFFFAOYSA-N 306.366 -0.564 30 20 DBED CCN1CCO[C@@H](C(=O)NCC2CC(NCC#CCOC)C2)C1 1101006727 WNVWTILPPIDGAB-UYSNPLJNSA-N 323.437 -0.159 30 20 DBED CN(CCNc1ccc2nnnn2n1)C(=O)c1ccc(C#N)[nH]1 1101560800 RSEYCJIYSQWRRP-UHFFFAOYSA-N 311.309 -0.097 30 20 DBED C[C@@H]1CN(Cc2nnnn2C)C[C@H]1CNC(=O)CSCC#N 1101741466 BFHPMJFQQXSYSP-GHMZBOCLSA-N 323.426 -0.349 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)COc1cnn(C)c1 1101919045 SKTXXWDHPNCJSA-UHFFFAOYSA-N 315.337 -0.547 30 20 DBED CN(C(=O)CNC(N)=O)[C@@H]1CCN(c2ncc(C#N)cc2F)C1 1102668837 VGYZRESALKOYFJ-SNVBAGLBSA-N 320.328 -0.202 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)[C@@H]1CCN(C)C1 1104580828 AOXHEBLIOYKROE-VXGBXAGGSA-N 302.382 -0.019 30 20 DBED CC(C)C[C@H](CNc1cnc(C#N)cn1)NC(=O)CNC(N)=O 1104907033 VTXCZVVJFJVMQT-SNVBAGLBSA-N 319.369 -0.041 30 20 DBED C#CCNCc1cn(C2CN(C(=O)C3(CN(C)C)CC3)C2)nn1 1105314372 QXBQAANLBYRMLX-UHFFFAOYSA-N 316.409 -0.274 30 20 DBED CCn1ccnc1C(=O)NC[C@@H](O)CNc1nccnc1C#N 1105802398 MLJKYVVOLSRWAC-JTQLQIEISA-N 315.337 -0.233 30 20 DBED CCN(CC)CC(=O)NC[C@@H](O)CN=c1cc[nH]cc1C#N 1105869513 VFCLATVZHFSGSF-ZDUSSCGKSA-N 305.382 -0.394 30 20 DBED Cc1nsc(NC[C@@H](O)CNC(=O)[C@@H]2CCC(=O)N2)c1C#N 1105921735 HJWQGYJTLALBGW-WPRPVWTQSA-N 323.378 -0.509 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)CCCCC(N)=O)nc1 1105958099 VMQLUZQBBFQRGV-LBPRGKRZSA-N 319.365 -0.112 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H](O)CNc1cncc(C#N)n1 1105970743 MPDOUSHHIQOCFU-ZYHUDNBSSA-N 303.322 -0.724 30 20 DBED N#Cc1cnc(NC[C@H](O)CNC(=O)[C@@H]2CCNC2=O)c(F)c1 1106051243 CQBSZGAFENZZGO-VHSXEESVSA-N 321.312 -0.883 30 20 DBED C=C(C)CNC[C@@H]1CN(C(=O)C[C@H](NC(C)=O)C(N)=O)C[C@H]1C 1106736932 WGCYMBLJXDQQEL-BNOWGMLFSA-N 324.425 -0.373 30 20 DBED Cc1c(C(=O)NC/C=C/CN=c2cc[nH]c(C#N)n2)nnn1C 1107097863 GSVJSAWOURRIND-ONEGZZNKSA-N 312.337 -0.395 30 20 DBED C[C@]1(CNC(=O)[C@@H]2CCNC(=O)CC2)CN(CC#N)CCO1 1108097122 BSAWLEFUHKEBHA-WFASDCNBSA-N 308.382 -0.367 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)[C@]1(C)CCNC1=O 1108105361 CDRJTUOKIIUJKX-YMTOWFKASA-N 302.338 -0.787 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)COC2CCN(C)CC2)C1 1108309990 FKNSOQQLLGTVHX-QGZVFWFLSA-N 323.437 -0.063 30 20 DBED C[C@@H](CNc1ccc(C#N)cn1)NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 1108706887 OQUNOWWMLQXXJF-ZMLRMANQSA-N 317.349 -0.097 30 20 DBED N#Cc1ccc(NC[C@H](NC(=O)[C@@H]2CNC(=O)N2)C2CC2)nn1 1109963931 UJGRQBIYVUXJRM-QWRGUYRKSA-N 315.337 -0.664 30 20 DBED N#Cc1nccc(NC2(CNC(=O)CCNC(N)=O)CC2)n1 1110142827 CGOCPHZKWFUZEZ-UHFFFAOYSA-N 303.326 -0.533 30 20 DBED N#Cc1c[nH]ccc1=NC1(CNC(=O)[C@@H]2CC[C@H]2C(N)=O)CC1 1110299625 CICYBKYXNGTSRQ-VXGBXAGGSA-N 313.361 -0.053 30 20 DBED COCC(=O)NCCN1CCC(Nc2cncc(C#N)n2)CC1 1111312167 RBDNXZOCKMBVKL-UHFFFAOYSA-N 318.381 -0.013 30 20 DBED COCC#CCN1C[C@@H]2CCC[C@]2(NC(=O)c2nnn(C)n2)C1 1111837675 WVXHZJQJJBJQHZ-WFASDCNBSA-N 318.381 -0.556 30 20 DBED C[C@H]1CN(c2cncc(C#N)n2)CC[C@@H]1NC(=O)CC(N)=O 1112396639 YTBGIXJEDKPKEG-ONGXEEELSA-N 302.338 -0.445 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CCN(c2cnc(C#N)cn2)[C@H](C)C1 1112467571 POCHHLFPGJKKRU-ZYHUDNBSSA-N 316.365 -0.042 30 20 DBED COc1ccc(C(=O)N2CCN(CC(=O)NCC#N)CC2)cn1 1113081132 QWZGKPRCDCZABL-UHFFFAOYSA-N 317.349 -0.512 30 20 DBED C[C@H](CNC(=O)[C@H]1CCC(=O)N1)N(C)c1cncc(C#N)n1 1113542468 BGBVBSLNLIEEQV-MWLCHTKSSA-N 302.338 -0.432 30 20 DBED C[C@@H](CNC(=O)CCn1ccnn1)N(C)c1cncc(C#N)n1 1113579683 RZIWWRGPHRPJTI-NSHDSACASA-N 314.353 -0.029 30 20 DBED C[C@H](CNC(=O)c1cnnn1C)N(C)c1cncc(C#N)n1 1113590996 NMRXHXASTINHRF-SECBINFHSA-N 300.326 -0.269 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)c3cccnc3)[C@H]2C1 1113777061 CYTBUEWDXMYUMY-RZFFKMDDSA-N 312.373 -0.121 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@H]2CN(Cc3ccn(C)n3)C[C@H]12 1114158002 OFQQEAJFNJWTSQ-STQMWFEESA-N 315.377 -0.894 30 20 DBED N#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)C3(C4CC4)CC3)[C@H]2C1 1114436120 AIMXGWNGFXAGRN-IMRBUKKESA-N 302.378 -0.137 30 20 DBED C=CCOCCN1C[C@H]2C(NC(=O)[C@@H]3CCN(C)C3=O)[C@@H]2C1 1114714697 XEGSXCRLSXMFDJ-YNEHKIRRSA-N 307.394 -0.286 30 20 DBED N#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3ccc(O)nc3)[C@H]2C1 1115192985 XMKBLRVMWOVQCG-YABSGUDNSA-N 315.333 -0.913 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@@H](C)OCC=C)[C@H]2C1 1115332506 OPOZOEJPBNEMEY-CXTNEJHOSA-N 305.378 -0.627 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CC[C@@H](CNC)C2)nn1 1118148038 LRVDNSGQJGHZAC-NSHDSACASA-N 306.370 -0.852 30 20 DBED C=CCCOCCNC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1119136805 PLXWLPPTNVYWBY-CQSZACIVSA-N 320.393 -0.106 30 20 DBED C#CC1(O)CN(C(=O)NCCNC(=O)c2ccc(F)cc2)C1 1120020835 UWYHGRZMUWLQPP-UHFFFAOYSA-N 305.309 -0.055 30 20 DBED N#Cc1nccnc1N[C@H](CO)CNC(=O)C1CCOCC1 1120985580 DLVCSXVALQEZIS-NSHDSACASA-N 305.338 -0.336 30 20 DBED CC(=O)NC(C)(C)C(=O)NC[C@@H](CO)Nc1nccnc1C#N 1121776742 FGYCSPLLWAMCPR-JTQLQIEISA-N 320.353 -0.848 30 20 DBED CN1CC[C@H](CC(=O)NC[C@@H](CO)Nc2nccnc2C#N)C1 1121807571 VVWDMFJGHBYCFY-NEPJUHHUSA-N 318.381 -0.421 30 20 DBED Cc1cc(=N[C@H](CO)CNC(=O)c2cccnn2)c(C#N)c[nH]1 1121943512 MATCYLJODGZJRP-LBPRGKRZSA-N 312.333 -0.324 30 20 DBED N#Cc1nccnc1N[C@@H](CO)CNC(=O)Cc1ncc[nH]1 1121977355 OTAJNLHUVCYBOQ-SECBINFHSA-N 301.310 -0.797 30 20 DBED N#Cc1cnc(N[C@@H](CO)CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)cn1 1122637448 SYTCKMDRBPQRMR-LPWJVIDDSA-N 317.349 -0.195 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CCCN(c2ccnc(C#N)n2)[C@@H]1C 1123538633 NQEOLPFFBADMQE-GHMZBOCLSA-N 316.365 -0.042 30 20 DBED CCC(=O)NCC(=O)N(C)C[C@@H](O)CNc1ccc(C#N)nn1 1124185490 PFXWHMJVGJSZEU-NSHDSACASA-N 320.353 -0.894 30 20 DBED CN(C[C@@H](O)CNc1cncc(C#N)n1)C(=O)[C@H]1CCCN1C 1124206783 DHMMFOLGWWJJLE-QWHCGFSZSA-N 318.381 -0.326 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@@H]1CCN(CC(C)C)C1 1129341380 TYAQHZGRFJCQBJ-CQSZACIVSA-N 310.442 -0.028 30 20 DBED COCC#CCNCCNC(=O)[C@@H]1CCCN1c1ncccn1 1129888912 JYYRRTOYQBNGJA-AWEZNQCLSA-N 317.393 -0.199 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)c1ccc2nc[nH]c2n1 1130122115 KVLJVEVKWVGEQF-JTQLQIEISA-N 316.365 -0.032 30 20 DBED O=C(NCCNCC#Cc1ccccc1)c1nnc(O)nc1O 1130862662 CSKKIEVNQZTSAK-UHFFFAOYSA-N 313.317 -0.346 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)c2ccnnc2C)C1=O 1130870568 YJTWLUAUWDALIM-CYBMUJFWSA-N 303.366 -0.109 30 20 DBED C=CCCC(=O)N1CCC(=O)NCCN(CC(=O)NCC)CC1 1131336932 PLEFQGYSRGNSDE-UHFFFAOYSA-N 324.425 -0.261 30 20 DBED C[C@H]1CCN(C(=O)c2nnc(O)nc2O)C[C@@H]1CNCC#N 1132956076 XQEBIBIIJXFXKQ-IUCAKERBSA-N 306.326 -0.506 30 20 DBED C=CCCCC(=O)NCCNCC(=O)N1CCN(C(C)=O)CC1 1133145388 XFRDWSZMGYWWHR-UHFFFAOYSA-N 324.425 -0.261 30 20 DBED Cc1nnccc1C(=O)N[C@@H](C)C[C@H](C)NCC(=O)NCC#N 1134869444 XAYXVSSYCQRLMX-QWRGUYRKSA-N 318.381 -0.089 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cnn(CC2CC2)c1 1146938145 LPUJPCFRGOCCHV-UHFFFAOYSA-N 303.366 -0.638 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)[C@@H]2CCCC(=O)N2C)C1=O 1149463689 GBMXJIMJHIMXKB-OLZOCXBDSA-N 322.409 -0.510 30 20 DBED CC#CCN1CCCO[C@@H](CNC(=O)CN2CCOCC2)C1 1149580542 VDXJQQCXJKIVNE-HNNXBMFYSA-N 309.410 -0.451 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)NCCNCCn1cncn1 1152405201 YZVHDKPTFWHLTR-UHFFFAOYSA-N 323.401 -0.752 30 20 DBED CCN(CC#CCOC)[C@H](C)CNC(=O)C(=O)NCC(F)F 1154112479 HNPSRPADJQKOLQ-LLVKDONJSA-N 319.352 -0.156 30 20 DBED CCS(=O)(=O)NCCCNCCCNC(=O)[C@H](C)C#N 1155835575 BQBVSKBKUKVQDI-LLVKDONJSA-N 304.416 -0.429 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)CO[C@H]1CCOC1 1157953633 NYTMYRNRIBJFFZ-OLZOCXBDSA-N 311.382 -0.974 30 20 DBED Cc1nc(C#N)cc(NCCN2CCN(S(C)(=O)=O)CC2)n1 1158457997 FRFMHIBUQOPDHG-UHFFFAOYSA-N 324.410 -0.354 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@@H]1CCCN1CC(C)C 1161644104 HZKMPRGQSVOVEV-HNNXBMFYSA-N 322.453 -0.048 30 20 DBED C=CCNC(=O)CNCCCNC(=O)CCc1nccn1C 1163044188 NMJANHDOSPQUQR-UHFFFAOYSA-N 307.398 -0.249 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)c1cn(CC)nn1 1169577550 FDEPZNSYWVUJKE-LLVKDONJSA-N 306.370 -0.855 30 20 DBED COCCS(=O)(=O)CC(=O)N[C@H](C)CCCCNCC#N 1171547526 UNVYXDFKEKTAHN-GFCCVEGCSA-N 319.427 -0.164 30 20 DBED C#CCNC(=O)CNCCCC[C@H](C)NC(=O)[C@@H]1[C@H]2COC[C@H]21 1174804658 BSJSUQCPDHBTNW-TTZDDIAXSA-N 321.421 -0.107 30 20 DBED N#CCNC(=O)CNCCCNC(=O)[C@@H]1CCc2c[nH]nc2C1 1176628609 VDRYKFNPFRTYHM-LLVKDONJSA-N 318.381 -0.750 30 20 DBED COCC#CCN1CCO[C@@H]2CCN(C(=O)c3cnon3)C[C@@H]21 1177113492 VUVWOHHZLOUVAG-UONOGXRCSA-N 320.349 -0.365 30 20 DBED CN(C)CCOCC(=O)N1CC[C@@H]2OCCN(CC#N)[C@@H]2C1 1177139324 QPEXLDBSNFWZHK-KGLIPLIRSA-N 310.398 -0.610 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC[C@H](NCC(=O)NC(N)=O)[C@@H]1C 1178573099 YSSGIJIPWMPEGU-BHDSKKPTSA-N 312.370 -0.913 30 20 DBED C[C@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)CCn1ccnc1 1179258882 VWEVPBPTSDABEH-STQMWFEESA-N 318.381 -0.508 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2nccnc2N)C1 1181716541 PKZLBHLYOIJQCQ-WDEREUQCSA-N 318.381 -0.446 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@@H](NCC(=O)NC2CC2)C1 1183354292 ZVJXGTDFBFFJBG-CABCVRRESA-N 318.421 -0.447 30 20 DBED C[C@H]1CN(C(=O)CN2C(=O)CNC2=O)CC[C@@H]1CNCC#N 1185641768 RAGDZPOPPQTHTP-WDEREUQCSA-N 307.354 -0.864 30 20 DBED C=CCn1cc(C(=O)N2CC[C@@H](N[C@@H](C)C(=O)N(C)C)C2)nn1 1186177658 QEKJIFOUKTXZSU-NWDGAFQWSA-N 320.397 -0.255 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2ccc(OC)nn2)C1 1186799017 FSHAQPAIMYRTST-LLVKDONJSA-N 317.349 -0.961 30 20 DBED C=C(C)CN(CC)C(=O)CN(C)[C@H]1CCN(C(=O)C(N)=O)C1 1192103296 ZROLJTLBYMVSAJ-LBPRGKRZSA-N 310.398 -0.571 30 20 DBED C#CCC1(C(=O)N[C@@H]2CN([C@@H]3CCN(C)C3=O)C[C@H]2O)CCC1 1193710362 AIIHUAFIFBCNIQ-MGPQQGTHSA-N 319.405 -0.428 30 20 DBED COCC#CCNC1CCN(C(=O)CCn2cncn2)CC1 1199345870 JYIYLSQINMVRPF-UHFFFAOYSA-N 305.382 -0.101 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C)C2)CCCO1 1200635055 QJENUCZYCQCELA-ZIAGYGMSSA-N 307.394 -0.305 30 20 DBED C#CCCNC1CCN(C(=O)CS(=O)(=O)CCOC)CC1 1201293447 JQNMPHMREYTPDL-UHFFFAOYSA-N 316.423 -0.349 30 20 DBED C=CCNC(=O)[C@H](C)NC1CCN(C(=O)c2cnn(C)n2)CC1 1202940383 PTQLFKKBZCMAKJ-NSHDSACASA-N 320.397 -0.300 30 20 DBED COCCC(=O)N1C[C@H]2CC[C@H]1[C@H](NCC(=O)NCC#N)C2 1203866536 SXHYJXNLVBKIPB-XQQFMLRXSA-N 308.382 -0.368 30 20 DBED C=CCN[C@H]1C[C@H]2CC[C@H]1N(C(=O)CS(=O)(=O)NC)C2 1204988459 OMFJVXKOVRJELY-GRYCIOLGSA-N 301.412 -0.309 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)C2=COCCO2)[C@H](C)C1 1205823218 WFKRBUXMOOUYKR-FRRDWIJNSA-N 321.377 -0.551 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)c2cc[n+]([O-])cc2)C1 1207150337 DPEHRZWEFVJVEO-CQSZACIVSA-N 316.361 -0.736 30 20 DBED COCC#CCN1C[C@@H](NC(=O)[C@@H]2CCCNC2=O)[C@H](C)C1 1207628301 HNKNCUKTIQRCJR-MGPQQGTHSA-N 307.394 -0.401 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)c2n[nH]cc2C)C1 1207993180 ZNDJWXCRAFNAMF-GFCCVEGCSA-N 303.366 -0.338 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC[C@H](NCC(=O)NC2CC2)C1 1208017981 IIJDOGBYNVEDCE-JSGCOSHPSA-N 307.394 -0.116 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCCN(C(=O)c2n[nH]cc2F)C1 1209504230 QZFKQUZAYAZYDA-WDEREUQCSA-N 321.356 -0.119 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(Cc2nnnn2C)C[C@H]1OC 1212188760 BNDZCZLWNZVFAK-VXGBXAGGSA-N 306.370 -0.671 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2cnsn2)C[C@H]1OC 1212262271 JRECKOPECJCZRP-CHWSQXEVSA-N 324.406 -0.107 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)[C@@H](F)C(C)C)[C@H](OC)C1 1213300069 JWDOBRVEOPAPJJ-BZPMIXESSA-N 313.373 -0.455 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)[C@H](C)S(C)(=O)=O)C[C@H]1C 1214970671 AHSCPOUTSWBLAU-FRRDWIJNSA-N 316.423 -0.494 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CN(C)C(=O)COC 1218057601 NUGPEMYMESHANT-UONOGXRCSA-N 323.393 -0.974 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)c2ccccn2)C1 1219098669 NXZKMNIDKCVIAW-BNOWGMLFSA-N 318.377 -0.453 30 20 DBED C[C@H](NC(=O)CN1C[C@H](O)[C@H](NC(=O)C#CC2CC2)C1)C1CC1 1219594184 FDNUAKKSZJHBPD-GLQYFDAESA-N 319.405 -0.524 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C2(C(C)C)CC2)C1 1220324638 LBGCZUUNKNZJHW-OLZOCXBDSA-N 309.410 -0.114 30 20 DBED N#CCNC(=O)CN1CC[C@@H]2CN(C(=O)C3CCOCC3)[C@@H]2C1 1221217361 HECBCFYWXMLVIG-ZIAGYGMSSA-N 320.393 -0.415 30 20 DBED C=C[C@@](C)(O)CC(=O)N1C[C@H]2CCN(CC(=O)NC(N)=O)C[C@H]21 1221518064 RXGLNDWIUHEBHP-UEKVPHQBSA-N 324.381 -0.959 30 20 DBED C#CCOCCC(=O)N1C[C@H]2CCN(Cc3nnn(C)n3)C[C@H]21 1221544752 GCJFPWIUAUSWNG-CHWSQXEVSA-N 318.381 -0.717 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)CC(N)=O 1227940466 IQEYPCBKABVBIF-YNEHKIRRSA-N 322.409 -0.736 30 20 DBED C=CCNC(=O)[C@@H](C)N(C)CCCNC(=O)c1ccc(O)nn1 1233613903 RBCVNTWHKXXPMW-LLVKDONJSA-N 321.381 -0.075 30 20 DBED C=CCn1cc(CNC(=O)c2ccc(-c3nn[nH]n3)cn2)nn1 1299674505 KFPFIUVVTBHQTJ-UHFFFAOYSA-N 311.309 -0.031 30 20 DBED C#CCOCCNC(=O)C(=O)N[C@H](C)COCC(F)(F)F 1322964814 GNLHEUHLRLMWHF-SECBINFHSA-N 310.272 -0.164 30 20 DBED CS(=O)(=O)c1ccccc1CC(=O)NCC(=O)NCC#N 1324177376 MTFIRWFJYPPVPB-UHFFFAOYSA-N 309.347 -0.611 30 20 DBED N#Cc1ccc(NC(=O)C(=O)N2CC[C@@H](n3cncn3)C2)nc1 1324965869 UKPUKOLJGYBBKO-LLVKDONJSA-N 311.305 -0.043 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)N2C[C@@H]3[C@H]4C=C[C@@H](O4)[C@H]3C2)C1 1326269827 XQZFWIAZINDKQR-WKIHFJMMSA-N 317.345 -0.725 30 20 DBED N#Cc1ccc(NC(=O)C(=O)NC[C@@H](O)C(F)(F)F)nc1 1327835766 ZKMFRTXWQIYSGZ-SSDOTTSWSA-N 302.212 -0.069 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)C(=O)NC[C@@H]2CCN(C3CC3)C2)C1 1328253388 FIZXZUFSKITBDY-BLLLJJGKSA-N 320.393 -0.536 30 20 DBED C#CC1CCN(C(=O)C(=O)N2CCC[C@@H](CNC(N)=O)C2)CC1 1332355450 GPPFOJIACZTEIF-ZDUSSCGKSA-N 320.393 -0.235 30 20 DBED C=CCN(C(=O)C(=O)N1C[C@@H](O)C[C@@H](C(=O)OC)C1)C(C)C 1332355971 MCFOSFPQVPSTQP-NEPJUHHUSA-N 312.366 -0.208 30 20 DBED CN(Cc1cn(C)nn1)C(=O)C(=O)N1CCC(C)(C#N)CC1 1333406460 YGDAACWJHJCCRV-UHFFFAOYSA-N 304.354 -0.074 30 20 DBED C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCC[C@@H](C#N)C1 1335205925 YUJLJUQBPGZWEO-SDDRHHMPSA-N 308.382 -0.022 30 20 DBED C#CC1CCN(c2nnnn2[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1337469761 JXPCWNNRJOBEFO-GFCCVEGCSA-N 324.410 -0.271 30 20 DBED C#Cc1cccc(NC(=O)C(=O)N[C@@H](CCOC)C(N)=O)c1 1343367333 KJQOPTVDIRHKRN-LBPRGKRZSA-N 303.318 -0.387 30 20 DBED N#CCCN1CCN(C(=O)C(=O)N2C[C@H]3[C@H](C2)C3(F)F)CC1 1351931671 RZVAFDKPTHUMJB-QWRGUYRKSA-N 312.320 -0.232 30 20 DBED N#Cc1cn(CC(=O)NCc2nncn2C2CC2)c(=O)nc1O 1362116074 QYIURHNUKWFNNV-UHFFFAOYSA-N 315.293 -0.937 30 20 DBED N#Cc1ccc([C@@H](C(N)=O)N2CC[C@@H](CS(N)(=O)=O)C2)cc1 1364815906 UOWKBOUHWACOAE-YPMHNXCESA-N 322.390 -0.305 30 20 DBED N#Cc1ccc(NC[C@H]2CCN(C(=O)Cn3cncn3)C2)nn1 1365438988 CWODDDPSQKFMOT-LLVKDONJSA-N 312.337 -0.100 30 20 DBED C[C@@H](c1nnnn1C)N1CCN(CCNC(=O)[C@H](C)C#N)CC1 1376075789 BPBQKRBXRCTUFR-NEPJUHHUSA-N 320.401 -0.835 30 20 DBED CCCc1cc(C(=O)NC[C@H](O)CNC(=O)[C@@H](C)C#N)no1 1376679192 UNSGZITWGHHYGJ-VHSXEESVSA-N 308.338 -0.006 30 20 DBED CCN(CCC#N)C(=O)CN1CC[C@@H](N(C)C(=O)COC)C1 1378143107 NHPVRVBXNOLSFV-CYBMUJFWSA-N 310.398 -0.072 30 20 DBED C[C@H](C#N)C(=O)NC1CCN(C(=O)C[C@@H]2CCC(=O)N2)CC1 1396831515 HLNILYXIPWRJMZ-PWSUYJOCSA-N 306.366 -0.078 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1c(F)cncc1F 1399817965 BNORQWODUFNLMI-HTQZYQBOSA-N 312.276 -0.274 30 20 DBED C[C@@H](CN(C)C(=O)CCCS(C)(=O)=O)NC(=O)[C@H](C)C#N 1405095820 JFIWYBHSTFAUFB-MNOVXSKESA-N 317.411 -0.066 30 20 DBED Cn1cc(C(=O)NC[C@@H](O)CNC(=O)c2ccc(C#N)[nH]2)cn1 1410071053 VAPLMSPMROZMSK-LLVKDONJSA-N 316.321 -0.859 30 20 DBED CN(C)CCCN(CCC#N)C(=O)C1=NN(CCO)C(=O)CC1 1411694388 VWHUQTFFWWQXQO-UHFFFAOYSA-N 323.397 -0.349 30 20 DBED CN(CCNC(=O)c1cc(C#N)c[nH]1)C(=O)[C@@H]1COCCO1 1415471814 QXOGIPHFHMIJLB-LBPRGKRZSA-N 306.322 -0.510 30 20 DBED Cc1cnn(CC(=O)NCCn2cc(C#N)c(O)nc2=O)c1 1418528645 DCLHSQNCMOVBJO-UHFFFAOYSA-N 302.294 -0.858 30 20 DBED C[C@@H](C#N)C(=O)NCC1CN([C@H](C)C(=O)NC(=O)NC2CC2)C1 1421134670 YGXFLAUTPVXJMM-VHSXEESVSA-N 321.381 -0.429 30 20 DBED N#Cc1cc(C(=O)NC2(CNC(=O)[C@@H]3CCC(=O)N3)CC2)c[nH]1 1453487313 DCGDZJDHPNWIOE-NSHDSACASA-N 315.333 -0.456 30 20 DBED CN(CCNC(=O)c1cc(C#N)c[nH]1)C(=O)CO[C@@H]1CCOC1 1495938834 VYKMFVKXEPTPTI-GFCCVEGCSA-N 320.349 -0.120 30 20 DBED CC(=O)N[C@H](C)C(=O)NC[C@@H](C)CNC(=O)c1ccc(C#N)[nH]1 1500057514 NJLXCKYNRBLTDS-NXEZZACHSA-N 319.365 -0.107 30 20 DBED C#CCC1(C(=O)NC[C@@H](O)CNC(=O)CNC(=O)O)CCC1 1573303386 NMVIRXHLQGXRDA-JTQLQIEISA-N 311.338 -0.959 30 20 DBED CC(C)(CC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)C(=O)O 1573477231 ZTIFOIOLJNPNBY-TVQRCGJNSA-N 314.363 -0.116 30 20 DBED O=C(C#CC1CC1)NC[C@@H](CO)NC(=O)CCCc1cnn[nH]1 1577746009 PJPJYZVBQZKLFZ-ZDUSSCGKSA-N 319.365 -0.866 30 20 DBED C#CCN(C)CCOCCNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 1588349249 JMGNDHGAPIRYNA-UHFFFAOYSA-N 317.353 -0.494 30 20 DBED C#CC[C@H](COC)NC(=O)C(=O)N1CC[C@@H](C(=O)O)[C@@H](C)C1 1588389608 XSBQBVKBYWJWMF-QJPTWQEYSA-N 310.350 -0.290 30 20 DBED C#CCN(CC(=O)O)C(=O)c1ccc(S(N)(=O)=O)c(C)c1 1588419267 ZLCNULFNGYUIQK-UHFFFAOYSA-N 310.331 -0.198 30 20 DBED C=C(CC)CNC(=O)CCn1cc(-c2nn[nH]n2)c(O)nc1=O 1588443201 VUPOTCQLHJIFRQ-UHFFFAOYSA-N 319.325 -0.399 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)N2CCOC[C@H]2C(=O)O)cc1 1594617855 MSBJVTPHGFLOND-LBPRGKRZSA-N 317.301 -0.400 30 20 DBED C#CC1(O)CN(S(=O)(=O)c2ccc(-c3nn[nH]n3)s2)C1 1602690463 CQWJQXYVWYNHJW-UHFFFAOYSA-N 311.348 -0.703 30 20 DBED C=CCn1c(-c2cn(C)nn2)nnc1N1CCO[C@@H](C(=O)O)C1 1602930575 YQOQMBRSSLQZEI-SNVBAGLBSA-N 319.325 -0.451 30 20 DBED CCN(CCO)N=C1C(=O)Nc2cc(-c3nn[nH]n3)ccc21 1609224437 AMEQUHUCWINPJX-UHFFFAOYSA-N 301.310 -0.163 30 20 DBED N#CCC1(O)CN(C(=O)c2cc(N3CCNC(=O)C3)ccn2)C1 1645747332 BRLFZAMNWMLJJZ-UHFFFAOYSA-N 315.333 -0.882 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCC(C(N)=O)CC1 1647177057 BAUYVALMUSEWCR-SNVBAGLBSA-N 302.400 -0.090 30 20 DBED C=CCOCCN1CCN(CCNC(=O)c2cn[nH]c2)CC1 1752364074 WYPGQICYONIVJF-UHFFFAOYSA-N 307.398 -0.040 30 20 DBED C#CCCNC[C@H]1CCCN(C(=O)CCNS(C)(=O)=O)C1 1752800076 UHLLYYYJUYLIOE-CYBMUJFWSA-N 315.439 -0.223 30 20 DBED C=CCNC(=O)CN1CCC[C@H]1CNC(=O)C[C@@H]1CCC(=O)N1 1753113589 QSPVECAXIRBRNK-STQMWFEESA-N 322.409 -0.462 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC[C@@H]1CNC(=O)Cc1ncc[nH]1 1753113758 NIBGOCWMRJXSKH-QWHCGFSZSA-N 317.393 -0.329 30 20 DBED C#CCN1CCC(C(=O)N2CC[C@@H](CN(C)CC(N)=O)C2)CC1 1753359706 JKFDFUXBDRXRIA-AWEZNQCLSA-N 320.437 -0.403 30 20 DBED C=CCOCC(=O)N1C[C@@H]2C[C@H]1CN2Cc1nc(=O)n(C)[nH]1 1753418460 DMKVRINCJIABCD-QWRGUYRKSA-N 307.354 -0.904 30 20 DBED C#CCNC[C@](C)(NC(=O)Cn1ccc(O)nc1=O)C1CC1 1753519922 OUJHTHDFFNYKCP-HNNXBMFYSA-N 304.350 -0.543 30 20 DBED CNC(=O)[C@H](C)N1CCO[C@@H](CNC(=O)CSCC#N)C1 1753646608 UNHDBUMFVCOYGT-QWRGUYRKSA-N 314.411 -0.805 30 20 DBED C#CCNC(=O)[C@@H](C)NCC[C@H](C)NC(=O)c1[nH]c(O)nc1C 1753973605 UPJJZXIGXPLGFS-GXSJLCMTSA-N 321.381 -0.340 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CNC(=O)CCc1ccn(C)n1 1754485258 RLLOUMFWFJMKLE-CQSZACIVSA-N 317.393 -0.707 30 20 DBED C#CCNC(=O)CN(C)CCCN(C)C(=O)c1cnn(CC)n1 1755036068 NBCIQTZCFPGZER-UHFFFAOYSA-N 320.397 -0.559 30 20 DBED C#CCNC(=O)CN[C@]1(CO)CCCN(C(=O)C#CC(C)C)C1 1755084010 DFMKSWOPFAZOLH-QGZVFWFLSA-N 319.405 -0.662 30 20 DBED Cn1cnn(CCC(=O)NC2(CNCC#N)CCCCC2)c1=O 1755352027 KXKLYUARRPAHAK-UHFFFAOYSA-N 320.397 -0.096 30 20 DBED C#CCOCCC(=O)N1CCO[C@@H]([C@@H](C)NCC#CCOC)C1 1755442676 VFDOGARCOXAWMR-HZPDHXFCSA-N 322.405 -0.118 30 20 DBED C=CCOCC(=O)N[C@H](C)C1CN(C(=O)[C@H]2CCC(=O)NC2)C1 1756134748 LAPVCKVFTVWDKY-NEPJUHHUSA-N 323.393 -0.322 30 20 DBED C=C(C)C(C)(C)C(=O)N[C@H](CO)CNC(=O)c1nccnc1N 1756509518 QSADCFMCHPPMLF-JTQLQIEISA-N 321.381 -0.132 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCN(C)[C@@H]2C)C[C@@H]1O 1757171229 KZNSHSOIQSETKK-TUVASFSCSA-N 321.421 -0.326 30 20 DBED C=CCCOCC(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CCNC2=O)C1 1757325404 DPIFYIHZLNPFRW-FRRDWIJNSA-N 323.393 -0.274 30 20 DBED CO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC#N)[C@H]2C1 1786368307 JJXQZSKMZQFWHX-CYDGBPFRSA-N 309.366 -0.085 30 20 DBED COC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC#N)C2 1795130190 OUDXINROPHLLLI-QHBPRCKVSA-N 323.349 -0.557 30 20 DBED C[C@@H](CN)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)S)C2 1795517390 UONGATNVJXCMNE-MJDLHHQISA-N 315.439 -0.511 30 20 DBED C/C=C/C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800779175 XBIGKBSDCQGFGH-QPWQFZKUSA-N 306.318 -0.760 30 20 DBED C[C@@H](S)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CNC(N)=O 1804478219 MEVIHQNCICKPJI-DOLQZWNJSA-N 314.411 -0.389 30 20 DBED CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835342984 VPGNORYOOUTCTQ-OAHLLOKOSA-N 307.350 -0.234 30 20 DBED N#CCCC(=O)N1CC2(CCCN2C(=O)c2c[nH]c(=O)cn2)C1 1844762249 CFRJKIWINRBTLM-UHFFFAOYSA-N 315.333 -0.109 30 20 DBED C=CCNC(=O)C(=O)Nc1ccc(C(=O)NCC(=O)OC)cc1 48619611 ODWZUEFHCUVKJM-UHFFFAOYSA-N 319.317 -0.170 30 20 DBED C#CCCN1CCN(c2ncc(S(N)(=O)=O)s2)CC1 91480513 DYZVEJGOZGRILT-UHFFFAOYSA-N 300.409 -0.064 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N2CCCC[C@H]2C(=O)O)CCO1 93932517 DHEUNRRYZPBBIJ-ZJUUUORDSA-N 303.340 -0.605 30 20 DBED CCN(C1CCN(CC(=O)NCC#N)CC1)S(C)(=O)=O 109010537 HDJNCAKNIOSECL-UHFFFAOYSA-N 302.400 -0.628 30 20 DBED N#CC1(CS(=O)(=O)N2CC[C@@H](C(=O)O)[C@@H](C(=O)O)C2)CC1 275168733 VCQDVIROFUZCQO-BDAKNGLRSA-N 316.335 -0.273 30 20 DBED C#CCOc1cc(F)ccc1NC(=O)C(=O)N1C[C@H](O)[C@@H](O)C1 277641220 XZYCTQLJDXXZOF-RYUDHWBXSA-N 322.292 -0.660 30 20 DBED N#Cc1ccc(C[C@@H](C#N)C(=O)N2CCO[C@@H](C(N)=O)C2)cc1 279539187 NCOQHIDGGKMNFN-UONOGXRCSA-N 312.329 -0.047 30 20 DBED COc1cc(CN2CCN3C(=O)C(=O)NC[C@H]3C2)ccc1C#N 282352644 PIGPYWVXNPWBJD-ZDUSSCGKSA-N 314.345 -0.291 30 20 DBED C[C@H](C(=O)N(C)CCC#N)N1CCC[C@@](O)(Cn2ccnn2)C1 284527245 JPWPLRWNBJKYKI-HIFRSBDPSA-N 320.397 -0.134 30 20 DBED Cc1noc([C@@H]2CCCN2c2c(C#N)c(=O)n(C)c(=O)n2C)n1 286684173 YNXZNDPIXZPPEU-JTQLQIEISA-N 316.321 -0.011 30 20 DBED COC(=O)c1cc(C#N)c(=O)n(C[C@@H](O)CN(C)C2CC2)c1 290785713 NPZUFGLMHPEQFF-ZDUSSCGKSA-N 305.334 -0.038 30 20 DBED N/C(=N\CCS(=O)(=O)N1CCOCC1)NCC1CCC1 303976023 JRONEXCDXDBXGA-UHFFFAOYSA-N 304.416 -0.647 30 20 DBED CN(/C(O)=N/CC(C)(C)N1CCOCC1)[C@@H]1COC[C@H]1O 329446771 MAZQMAXRRLNEPY-VXGBXAGGSA-N 301.387 -0.297 30 20 DBED O=S1(=O)CCCC[C@@H]1C/N=C(/O)NC[C@@]1(O)CCOC1 329568536 PMHDVRFESFFLBO-PWSUYJOCSA-N 306.384 -0.391 30 20 DBED O/C(=N/CCn1cncn1)N1CCN(C[C@H]2CCOC2)CC1 329865243 ACVFGPBPZIEVQU-CYBMUJFWSA-N 308.386 -0.154 30 20 DBED CC(=O)NCCC/N=C(/O)N[C@@H]1CCCN(S(C)(=O)=O)C1 330446818 WAFKKYYZCUGKLS-LLVKDONJSA-N 320.415 -0.560 30 20 DBED C/N=C(/O)NCC(=O)N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 330502413 WTXNXVCUKGZMOC-WDEREUQCSA-N 314.386 -0.491 30 20 DBED CN(C)S(=O)(=O)c1ccc(/C(O)=N/[C@@H]2CNC(=O)C2)cn1 331031760 UGJCQLKWEVDLLQ-VIFPVBQESA-N 312.351 -0.475 30 20 DBED COC[C@H](C)/N=C(/O)NC(=O)CN1C[C@H](C)S(=O)[C@@H](C)C1 331175278 PNMCCMKVQGKGNL-DCAQKATOSA-N 319.427 -0.107 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)NCC(=O)NCCOC 336926555 XGYPDDMKBZGDGI-JTQLQIEISA-N 306.388 -0.935 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N2C[C@H]3[C@@H](O)CC[C@H]3C2)CCO1 336934340 DSFFHJNVUHBRSV-QCNOEVLYSA-N 301.368 -0.842 30 20 DBED COC[C@H](C)S(=O)(=O)N(CCC#N)CCN1CCOCC1 344554370 ABEVQZSUESSXKC-ZDUSSCGKSA-N 319.427 -0.101 30 20 DBED CCNC(=O)C1(CNC(=O)NCCn2cnc(C#N)n2)CCC1 346002664 QUBOCCKGACHYOM-UHFFFAOYSA-N 319.369 -0.245 30 20 DBED C=CCCN(C)C(=O)C(=O)N[C@@H]1CCc2nc(COC)nn2C1 346455400 HUBJETIRQVEJMQ-LLVKDONJSA-N 321.381 -0.110 30 20 DBED N#CCC1(O)CN(C(=O)CCNS(=O)(=O)c2cccnc2)C1 356575632 KMPBUPDUKNZWOP-UHFFFAOYSA-N 324.362 -0.763 30 20 DBED C[C@H]1CN(CCN(C)C(=O)NCC(=O)NCC#N)C[C@H](C)O1 358273785 KUMQGIXRQKKVTG-RYUDHWBXSA-N 311.386 -0.623 30 20 DBED COC(=O)[C@@H]1C[C@@H](O)CN1CC(=O)NCc1cccc(C#N)c1 369188476 PKYWIJHUHKJMGA-KGLIPLIRSA-N 317.345 -0.217 30 20 DBED CCS(=O)(=O)NCCS(=O)(=O)N1CCC(C#N)CC1 408448264 RINAVQPZTFTDHA-UHFFFAOYSA-N 309.413 -0.509 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@@H]2CCO[C@H]2CC)C1=O 422502938 LQHBBBSWJVSAAE-UPJWGTAASA-N 323.393 -0.085 30 20 DBED COC[C@](C)(C#N)NC(=O)CN(C)C(=O)[C@@H](C)n1cccn1 433958630 IBTXWRHASMBVIC-RISCZKNCSA-N 307.354 -0.053 30 20 DBED C#C[C@H](NC(=O)C1CCN(S(=O)(=O)NC)CC1)C(C)C 491180580 MSDHUDYHSUGXIX-LBPRGKRZSA-N 301.412 -0.063 30 20 DBED C#C[C@H](C)N(C)C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 491542956 DMOXTCCKHNPAJD-VIFPVBQESA-N 300.318 -0.274 30 20 DBED C#CCN1CCN(C(=O)CN2C(=O)[C@H]3CSCN3C2=O)CC1 491710660 RUWKCPCCZQVZIC-LLVKDONJSA-N 322.390 -0.899 30 20 DBED C=CCN1C(=O)C(=O)N(Cc2nnn(CC(F)(F)F)n2)C1=O 583122268 IBADFERNBXEKPG-UHFFFAOYSA-N 318.215 -0.288 30 20 DBED N#CCN1CCC(NC(=O)C(=O)N2C[C@H]3CCC[C@@]3(N)C2)CC1 598684019 JMBCJNKEAHULNF-MLGOLLRUSA-N 319.409 -0.570 30 20 DBED CC(C)NS(=O)(=O)NCCNC[C@@H](O)CC(C)(C)C#N 598723465 IEFJGWRQYDGBNU-NSHDSACASA-N 306.432 -0.291 30 20 DBED C[C@@H](C(=O)NC(C)(C)CN1CCOCC1)n1cnc(C#N)n1 598742494 VHMUGTNDRKKNSB-NSHDSACASA-N 306.370 -0.062 30 20 DBED C[C@@H](NC(=O)C(=O)NCC(=O)N(C)C)c1cccc(C#N)c1 615004190 LBHKIVFLOAFYPW-SNVBAGLBSA-N 302.334 -0.060 30 20 DBED CO[C@H]1CCCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 619713016 LFTRQKIWWOPWDO-RYUDHWBXSA-N 303.384 -0.044 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@H]1COCCC1=O 625490973 AEVTVDBAZFDFJE-JTQLQIEISA-N 305.356 -0.959 30 20 DBED C=C[C@H](O)C(=O)N1CCN(CC(=O)N=c2cc(C)o[nH]2)CC1 646610613 BRJKTGJMLMFOKE-NSHDSACASA-N 308.338 -0.965 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCc2cc(C)[nH]n2)C1=O 672538661 ZJANNUWEADRKJC-LBPRGKRZSA-N 319.365 -0.420 30 20 DBED C#CCNC(=O)C1CCN(c2nccnc2-c2nn[nH]n2)CC1 735380988 JIJZKPSMCPSBAA-UHFFFAOYSA-N 312.337 -0.378 30 20 DBED N#C[C@@H]1COCCN1C(=O)COc1ccc(-c2nn[nH]n2)cc1 737686497 YBZIJTQQOJICBO-LLVKDONJSA-N 314.305 -0.004 30 20 DBED C#CCNC(=S)NNC1=NCC2=CNN(C(C)(C)C)C2=N1 758229955 KYYZWAAZFOJENP-UHFFFAOYSA-N 305.411 -0.141 30 20 DBED COCC#CCOC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 762772091 MMVCFYZRUGZVJN-UHFFFAOYSA-N 322.342 -0.082 30 20 DBED C#C[C@H](NC(=O)NCCNS(=O)(=O)CC)[C@@H]1CCCO1 773274970 YZAWLOWHNKMASD-QWRGUYRKSA-N 303.384 -0.594 30 20 DBED C#C[C@@H](NCC(=O)c1c(O)nc(=O)n(CC)c1N)[C@@H]1CCCO1 775791807 XEJKYHCJXBJFDD-KOLCDFICSA-N 320.349 -0.496 30 20 DBED CC(C)(C#N)CS(=O)(=O)NC(=O)CN1CCCS1(=O)=O 776139684 ZQMVMPKZKNZNQT-UHFFFAOYSA-N 323.396 -0.982 30 20 DBED C#C[C@H](NC(=O)N(C)[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCCO1 776224493 LCESBRUVRNWUAY-WOPDTQHZSA-N 300.380 -0.004 30 20 DBED CC#CCOC(=O)Cn1nc(C(=O)OCC#CC)ccc1=O 778356700 QKSPNRIPQCQAPS-UHFFFAOYSA-N 302.286 -0.010 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N[C@@H](C)CN1CCOCC1 782999770 NWWURXDMHKTDTN-LBPRGKRZSA-N 319.427 -0.393 30 20 DBED C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCOC 802443392 YONIMOCBIUUULM-SNVBAGLBSA-N 315.399 -0.396 30 20 DBED C#C[C@H](NC(=O)C(=O)N(C)C[C@@H]1CCCN1C)[C@@H]1CCCO1 817839562 ZNBJDWLIOREDOA-IHRRRGAJSA-N 307.394 -0.164 30 20 DBED N#C[C@@H]1CN(C(=O)[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CCO1 826380657 ISOOUPZOVRSRBS-VXGBXAGGSA-N 314.305 -0.349 30 20 DBED C=CCNC(=O)CNC(=O)N1CCN(CCC(=O)O)C[C@@H]1C 833377111 MRTYDDGEYUMQMY-NSHDSACASA-N 312.370 -0.521 30 20 DBED C[C@H](C(=O)NC1(CO)COC(C)(C)OC1)n1cnc(C#N)n1 834500771 KLPVROQOPCSRJR-SECBINFHSA-N 309.326 -0.659 30 20 DBED N#C[C@@H]1CNC[C@@H]1NC(=O)CN1C(=O)COc2ccccc21 834504829 FPLPQFXWFMBBLN-MNOVXSKESA-N 300.318 -0.360 30 20 DBED N#CCCCS(=O)(=O)NC(=O)c1ccc(-n2cnnn2)cn1 847675450 VJVDDDFVSGNSNW-UHFFFAOYSA-N 321.322 -0.579 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC(n2cnc(C(N)=O)c2N)CC1 848040501 LAHVIRYTEHXSNM-JTQLQIEISA-N 319.365 -0.234 30 20 DBED COC(=O)C[C@@H](O)CNC(=O)C#Cc1ccc2c(c1)OCO2 863016450 MYPHUCHXFGTHSS-LLVKDONJSA-N 305.286 -0.193 30 20 DBED CC(=O)OCCCS(=O)(=O)N1CCN(CCC#N)CC1 867826463 KQKIRNPTCXVQOM-UHFFFAOYSA-N 303.384 -0.199 30 20 DBED CC(C)CN1C(=O)C(=O)N(CN2CCN(CCC#N)CC2)C1=O 872735060 GNNFCHDRVLGLDY-UHFFFAOYSA-N 321.381 -0.078 30 20 DBED C#CCN1CCC[C@@H](NC(=S)NCCS(C)(=O)=O)C1 905571128 NOQUKPFDYHIGBK-LLVKDONJSA-N 303.453 -0.407 30 20 DBED C#CC1(O)CN(C[C@@](C)(O)c2ccc(S(C)(=O)=O)cc2)C1 934449778 JKFJVFZOGDWPEI-CQSZACIVSA-N 309.387 -0.023 30 20 DBED CN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CCN(C(=O)c2cnn[nH]2)C1 938830914 KKTZTLZVPXLHNC-JTQLQIEISA-N 313.321 -0.009 30 20 DBED C[C@H]1C[C@@H](NC(=O)CN2CCC(=O)NC2=O)CCN1CC#N 947899952 OASDEIMHQCWIFL-QWRGUYRKSA-N 307.354 -0.579 30 20 DBED N#Cc1cc(C(=O)N[C@H]2[C@@H]3CN(CC(=O)N4CCC4)C[C@@H]32)c[nH]1 958587135 OHHLPJOPZCNYCV-NHAGDIPZSA-N 313.361 -0.221 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H]2CN(C(=O)c3cn(C)cn3)C[C@@H]21 960880069 IANYUOLASVXBKB-KGYLQXTDSA-N 317.349 -0.368 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CN(C(=O)c3cnco3)C[C@@H]2O)c[nH]1 962392009 FRJXYDDKDXJJDR-MNOVXSKESA-N 315.289 -0.510 30 20 DBED Cn1cc(C(=O)NC2CC3(CC(NCC#N)C3)C2)ncc1=O 964454076 HOIPMMVECQAZLR-UHFFFAOYSA-N 301.350 -0.066 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC2(CN(C(=O)c3ncc[nH]3)C2)C1 965467872 CSFACLCBRSXCFZ-JTQLQIEISA-N 303.322 -0.377 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(C[C@H](NC(=O)C3=CCOCC3)CO2)C1 965677988 XUEHGIBZDTXTMW-AAEUAGOBSA-N 319.361 -0.021 30 20 DBED C#CCCN1CC[C@@H](C)[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 966166008 IMOXGEUWNUVHGZ-VXGBXAGGSA-N 318.381 -0.773 30 20 DBED C[C@H](C#N)C(=O)N1CC(N2CCN(C(=O)CC(C)(C)O)CC2)C1 967217129 PBAFWPWEAZFDMG-GFCCVEGCSA-N 322.409 -0.338 30 20 DBED C[C@H]1CCN(CC#N)C[C@@H]1NC(=O)CN1CC(=O)N(C)C1=O 968541079 YBJHGSYZTKJECQ-QWRGUYRKSA-N 307.354 -0.769 30 20 DBED C=CCCN1CC([C@@H](C)NC(=O)c2cn(CC(N)=O)nn2)C1 970923184 CKQMYHOGVIHVEH-SNVBAGLBSA-N 306.370 -0.610 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)[C@H]3CC(=O)N(C)C3)C2)C1 972406220 DQOMNXPXTAQNNK-XJKSGUPXSA-N 305.378 -0.599 30 20 DBED C[C@H](C(=O)N1CC[C@@]2(CN(CC#N)CCO2)C1)S(C)(=O)=O 972435526 ODRRCAIYPSDDOM-DGCLKSJQSA-N 315.395 -0.754 30 20 DBED N#Cc1cc(C(=O)N[C@H]2C[C@@H](NC(=O)c3cnon3)C2)c[nH]1 974049080 FYURHJXLTYEIDU-DTORHVGOSA-N 300.278 -0.040 30 20 DBED COCCn1cc(C(=O)N[C@@H]2CN(CC#N)CC2(C)C)nn1 974591928 YWXVZIDKOFIXFZ-GFCCVEGCSA-N 306.370 -0.112 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H](NC(=O)[C@H](C)N2CCOCC2)C1 989266780 CHJRNVQERQMMLK-IHRRRGAJSA-N 322.409 -0.026 30 20 DBED Cc1nc(O)nc(O)c1CC(=O)N1C[C@@H](NCC#N)C[C@@H]1C 989595981 IRBFABSPTMLUIK-WPRPVWTQSA-N 305.338 -0.159 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2COCCO2)C1 990286883 MFILRDFDWINFBW-RDBSUJKOSA-N 324.377 -0.290 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)Cc2nc3ncccn3n2)C1 991727822 MBDCUQXZWKWFMJ-VIFPVBQESA-N 313.321 -0.847 30 20 DBED C#CCN1CC[C@]2(NC(=O)c3cn(CC(N)=O)nn3)CCC[C@H]12 992525272 KPZBXZOCIPODMC-SWLSCSKDSA-N 316.365 -0.877 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](C)[C@H](CNC(=O)c2ncn(C)n2)C1 993966286 HMNBFLNLJSJLRA-HBNTYKKESA-N 304.354 -0.201 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)[C@H]2CCc3nnc(O)n3C2)C1 994579975 KXHBIQXOBNUPFK-IUCAKERBSA-N 318.337 -0.967 30 20 DBED C[C@H](C#N)C(=O)N1CC(NC(=O)C(C)(C)N2CCOCC2)C1 995799272 GCBLHMJHGXMWMN-LLVKDONJSA-N 308.382 -0.416 30 20 DBED Cc1nc2n(n1)C[C@H](C(=O)NC1CN(C(=O)[C@H](C)C#N)C1)CC2 997634906 CHKIWYPBODZJKN-MWLCHTKSSA-N 316.365 -0.364 30 20 DBED C=CCn1cc(C(=O)NCC2CN(C(=O)[C@H](O)C(C)C)C2)nn1 1001960552 LVLQERRPXKQNLN-CYBMUJFWSA-N 321.381 -0.331 30 20 DBED C=CCn1cc(C(=O)N2CCO[C@H]([C@H](C)NC(C)=O)C2)nn1 1009690433 PZPHOOSCHVFZFB-GWCFXTLKSA-N 307.354 -0.170 30 20 DBED C=C(C)CN1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CCNC(=O)C1 1017794909 NKXUDGCTRLMNRN-OKILXGFUSA-N 306.410 -0.331 30 20 DBED C[C@H](C#N)C(=O)N1CCC2(CN(C(=O)CCc3nc[nH]n3)C2)C1 1018917523 BXCXBYYTHYOXTE-LLVKDONJSA-N 316.365 -0.042 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCN(C(=O)[C@]3(C)CCNC3=O)C2)C1 1019364758 LKDRJYOFIPKYCL-XHDPSFHLSA-N 318.377 -0.267 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H](NCc2nc(O)n[nH]2)C1 1020250377 DVYMIGZJSHJHPA-SRVKXCTJSA-N 318.381 -0.655 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2C[C@H](NCc3nnnn3C)C2)nc1 1020947426 WIUZOCZNLJNOBR-HAQNSBGRSA-N 311.349 -0.363 30 20 DBED CCc1ocnc1C(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1O 1023235446 PYSYSEIZQNSEMB-IVZWLZJFSA-N 306.322 -0.302 30 20 DBED O=C(C[C@H]1CCCOC1)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1023819937 HNLQZAIZFUNJJA-RBSFLKMASA-N 320.389 -0.096 30 20 DBED C=CCN[C@@H]1CC[C@@H]2CN(C(=O)c3nnc(O)nc3O)C[C@@H]21 1026304888 RGMBDUKMFAWNCL-KXUCPTDWSA-N 305.338 -0.091 30 20 DBED C#CCNC1CCC(NC(=O)Cn2cnc(C(N)=O)n2)CC1 1026497034 IEVXWALGHYHHAW-UHFFFAOYSA-N 304.354 -0.973 30 20 DBED C#CCN1CCC(C(=O)NC[C@H]2CCCN2CC(=O)NC)CC1 1028333223 GOEZAYUGXCYECB-OAHLLOKOSA-N 320.437 -0.342 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)[C@@H](C)n3cncn3)C2)C1=O 1030233411 FJXPDFNYFUSOMQ-DGCLKSJQSA-N 318.381 -0.574 30 20 DBED C[C@H](c1nnnn1C)N1CC(NC(=O)c2c[nH]c(C#N)c2)C1 1030234952 KXCBACVJELTRNZ-MRVPVSSYSA-N 300.326 -0.415 30 20 DBED N#Cc1ccc(C(=O)NCC2CN([C@@H]3CCCNC3=O)C2)[nH]1 1031620971 RUDHVNULAYYYJE-CYBMUJFWSA-N 301.350 -0.173 30 20 DBED CC#CCN1CC(CNC(=O)c2ccc(S(N)(=O)=O)o2)C1 1031812905 LBDNYVUQBYDFMS-UHFFFAOYSA-N 311.363 -0.388 30 20 DBED C=CCn1cc(C(=O)NCC2CN([C@H](CC)C(N)=O)C2)nn1 1032034926 IXDDXDCQTIURMD-GFCCVEGCSA-N 306.370 -0.610 30 20 DBED C[C@@H](C(N)=O)N1CCO[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 1035336617 LPVBXVJMEQAOAP-JOYOIKCWSA-N 305.338 -0.809 30 20 DBED C#CCN1CCO[C@H](CNC(=O)[C@@H]2CCn3ccnc3C2)C1 1035418541 IPIMQEDENOKIQV-ZIAGYGMSSA-N 302.378 -0.104 30 20 DBED C=C(Cl)CN1C[C@H]2C[C@H]1[C@@H]2NC(=O)CN1C(=O)CNC1=O 1037723311 SOUJPVDJWDQHSI-VDDIYKPWSA-N 312.757 -0.520 30 20 DBED C=CCCn1cc(C(=O)NC[C@@H]2CCN2[C@@H](C)C(=O)NC)nn1 1038788832 CDUSPNQEOSUJFH-RYUDHWBXSA-N 320.397 -0.207 30 20 DBED N#CCN1CC[C@H]([C@H]2CCCCN2C(=O)Cn2ncnn2)C1 1039202410 KKSWBPAARCVARN-QWHCGFSZSA-N 303.370 -0.100 30 20 DBED O=C(C#CC1CC1)NC[C@@]1(O)CCN(C(=O)C[C@@H]2CCOC2)C1 1039680968 RAUYUXRKENGIQR-YOEHRIQHSA-N 320.389 -0.094 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)C2CC=CC2)C1 1042255987 ZDFYYCVYGJVILP-LBPRGKRZSA-N 306.362 -0.320 30 20 DBED C#CCCCCC(=O)NCC1(O)CN(C(=O)Cc2cnc[nH]2)C1 1042664093 NMFWRVPEZJMSHH-UHFFFAOYSA-N 318.377 -0.165 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)[C@H]2C[C@@H]2C(F)F)C1 1042864037 FTAAMMZEIUMTJG-UWVGGRQHSA-N 318.320 -0.220 30 20 DBED CCO[C@H](C(=O)NCC1(O)CN(C(=O)[C@@H](C)C#N)C1)C1CC1 1043172799 OUHZZKDDGLJOGX-JQWIXIFHSA-N 309.366 -0.349 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)[C@H](F)C(F)(F)F)C1 1043377855 VOSZTXCUKHGFFI-RQJHMYQMSA-N 311.235 -0.264 30 20 DBED C=CCN1CC[C@H](N2CC(N(C)C(=O)c3[nH]nnc3C)C2)C1=O 1043507044 WIIUGDHHVUKOKP-LBPRGKRZSA-N 318.381 -0.344 30 20 DBED C=CCCO[C@H](C)C(=O)N1CC(O)(CNC(=O)c2cnco2)C1 1044119342 XNXYXUMCAVLBPV-LLVKDONJSA-N 323.349 -0.041 30 20 DBED C=CCCOCC(=O)N1CC(O)(CNC(=O)c2oncc2C)C1 1045681063 LACBHOKKMBBYIT-UHFFFAOYSA-N 323.349 -0.121 30 20 DBED N#CCN1[C@H]2CC[C@H]1CN(C(=O)C[C@@H]1CC(=O)NC1=O)CC2 1045902385 CTXRCJWPGDXHFB-SRVKXCTJSA-N 304.350 -0.372 30 20 DBED C=CCN1CC[C@@H](N2CCN(C(=O)C[C@@H]3CCNC3=O)CC2)C1 1046035191 GNSAKEDWXGSTRU-LSDHHAIUSA-N 320.437 -0.083 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)[C@@H]2CN(C)C[C@H]2C)C1 1046685252 RCKFEGKINQWAAV-ZIAGYGMSSA-N 321.421 -0.467 30 20 DBED N#Cc1nc(=N[C@H]2C[C@H](CNC(=O)[C@H]3COCCO3)C2)cc[nH]1 1046729056 VCXASECEAIMEHA-IJLUTSLNSA-N 317.349 -0.508 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)[C@H](C)[C@H]2CCC(=O)N2)C1 1047048639 YTBRGLKYMCWIBB-VXGBXAGGSA-N 323.393 -0.443 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCN(C(N)=O)C2)C1 1047450104 PMMJAFIPZHDZMS-IHRRRGAJSA-N 322.409 -0.696 30 20 DBED C#CCOCCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(N)=O)C2 1047531853 ROFBLNCPPBQNMX-TUAOUCFPSA-N 307.350 -0.993 30 20 DBED CO[C@H]1C[C@H](C(=O)N2C[C@@H]3CN(CC#N)C[C@@H]3C2)N(C(C)=O)C1 1048961293 YCKVKCWOUBMBGB-LJISPDSOSA-N 320.393 -0.464 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)CCCCN(C)C)C[C@@H]1O 1049395359 UNXWZHMNKMEQEH-IHRRRGAJSA-N 324.425 -0.092 30 20 DBED C#CCCN1CCC2(CC1)CN(C(=O)C[C@@H]1CC(=O)NC1=O)C2 1050776349 IIPPNXOKCBIUJP-ZDUSSCGKSA-N 317.389 -0.013 30 20 DBED C[C@@H]1[C@@H](NC(=O)[C@@H]2CNC(=O)N2)CCN1c1cncc(C#N)n1 1050952226 NPFDMNUVMFMETI-MIMYLULJSA-N 315.337 -0.887 30 20 DBED C#CCCN1CCOC[C@@H]1CNC(=O)c1ccnn1CCOC 1050970080 ATLLALQZAYQFGV-AWEZNQCLSA-N 320.393 -0.017 30 20 DBED N#CCN1CCOC[C@H]1CNC(=O)c1cn([C@H]2CCOC2)nn1 1051204082 UPZIECMORYJJSL-NWDGAFQWSA-N 320.353 -0.806 30 20 DBED C#CCCN1CC2(CC[C@H](CNC(=O)[C@H]3CC(=O)N(C)C3)O2)C1 1053605932 DVOIVUAULVMUDD-UONOGXRCSA-N 319.405 -0.162 30 20 DBED C#CCCN1CC2(CC[C@H](CNC(=O)[C@@H]3CCC(=O)N3C)O2)C1 1053647189 OOEISSJQIJKNNN-KGLIPLIRSA-N 319.405 -0.020 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)C[C@H]3CCC(=O)N3C)CO2)C1 1053887852 SHZCVMPPYJXHHJ-UONOGXRCSA-N 319.405 -0.020 30 20 DBED C=C(Cl)CN1CC2(C[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)CO2)C1 1053927394 ANXUQTAPGYKIMX-AXFHLTTASA-N 313.785 -0.180 30 20 DBED C=CCCC(=O)N[C@]1(CO)CCCN(C(=O)c2cnn[nH]2)C1 1055825558 KJCIAUPENPMJFM-CQSZACIVSA-N 307.354 -0.146 30 20 DBED N#Cc1cnc(N2CCN(C(=O)[C@@H]3CCNC3=O)CC2)cn1 1055974031 RGMASNHYEAUJNP-LLVKDONJSA-N 300.322 -0.867 30 20 DBED N#Cc1nccc(N2C[C@H]3C(NC(=O)C45CCN(CC4)C5)[C@@H]3C2)n1 1056268841 XSTCMTUHCLJKDU-VXGBXAGGSA-N 324.388 -0.005 30 20 DBED CNC(=O)NCC(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)C#N 1056540381 JMPVLPGUFKTRTJ-SDDRHHMPSA-N 321.381 -0.333 30 20 DBED C=CCOCC(=O)N1CCC[C@H]2CN(C(=O)CNC(N)=O)C[C@H]21 1056629557 NFUAAPZRYZNIID-NWDGAFQWSA-N 324.381 -0.693 30 20 DBED CN(c1cncc(C#N)n1)[C@@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 1056997482 CETCOAWRFGWFIH-VXGBXAGGSA-N 314.349 -0.479 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)c1cn(C)cn1 1057193287 DCHKORHDQUPPJH-UHFFFAOYSA-N 310.354 -0.827 30 20 DBED N#Cc1nccnc1N1CCCN(C(=O)[C@H]2CNC(=O)N2)CC1 1057216488 WEFONXMJAOUPOV-LLVKDONJSA-N 315.337 -0.932 30 20 DBED C#CCNC(=O)CC(=O)NCCN(CCO)C(=O)[C@@H](C)C1CC1 1057283613 YMBBKLSPONQNFU-LBPRGKRZSA-N 323.393 -0.891 30 20 DBED N#Cc1cnc(NC2CCN(C(=O)[C@H]3CCNC3=O)CC2)cn1 1057398679 DWBIREHLICNIOL-LBPRGKRZSA-N 314.349 -0.113 30 20 DBED COC(=O)[C@@H]1C[C@@H]1C(=O)NCCN(CCO)C(=O)C#CC1CC1 1057531749 XRWGXBQIOXDFBB-QWHCGFSZSA-N 322.361 -0.854 30 20 DBED C#CCO[C@H](C)C(=O)N(CCO)CCNC(=O)c1cccnc1 1057583376 OMHHKQPKJJZYJW-CYBMUJFWSA-N 319.361 -0.329 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)[C@H]1CCN(C)C1 1057631576 ABKRRATXYJTENN-AWEZNQCLSA-N 309.410 -0.465 30 20 DBED N#Cc1ccc(N2CCC[C@@H](NC(=O)[C@@H]3CNC(=O)N3)C2)cn1 1058231396 GNOQJYOBDWTKED-YPMHNXCESA-N 314.349 -0.280 30 20 DBED Cn1cc(C(=O)N2[C@H]3CC[C@H]2CN(c2cncc(C#N)n2)C3)nn1 1058753136 DSNKZSFLYALIHX-RYUDHWBXSA-N 324.348 -0.030 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@@H](CCNC(=O)CC(=O)NC)C1 1059646926 ZNWBNXIXQYSCBQ-QWHCGFSZSA-N 323.393 -0.484 30 20 DBED C=CCCC(=O)N1CCOC[C@@H]1CNC(=O)CNC(=O)CC 1061427408 AVKQLUDAWKOQHV-LBPRGKRZSA-N 311.382 -0.178 30 20 DBED N#Cc1ccc(N2CC[C@H](CNC(=O)[C@H]3CCNC3=O)C2)nn1 1061694624 LJUMFAHPKJNREE-PWSUYJOCSA-N 314.349 -0.573 30 20 DBED CNC(=O)NCCC(=O)NC[C@H]1CCCCN1C(=O)[C@@H](C)C#N 1062333427 QUPMISLVRRJDBD-NWDGAFQWSA-N 323.397 -0.038 30 20 DBED N#Cc1nccnc1N1C[C@@H]2C[C@H]1CN2C(=O)c1nccnc1N 1062459595 LXIKAENKXXUIBO-UWVGGRQHSA-N 322.332 -0.176 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(NC(=O)[C@H]2COCCO2)CCC1 1063041602 ADZAJUBKBQSRPQ-QWHCGFSZSA-N 324.377 -0.405 30 20 DBED C[C@@H](C(=O)NCC1(NC(=O)[C@H](C)C#N)CCC1)S(C)(=O)=O 1063563228 JCVIWOKNWXENAK-ZJUUUORDSA-N 315.395 -0.266 30 20 DBED C=C[C@](C)(CCOC)C(=O)NCC1(NC(=O)C(N)=O)CCC1 1063754311 UXFNAXFRSFGOGR-CQSZACIVSA-N 311.382 -0.144 30 20 DBED C[C@@H](N=c1cc[nH]cc1C#N)[C@H]1CCCN(C(=O)C(N)=O)C1 1063903847 CQMBHRJQDVVRRS-MNOVXSKESA-N 301.350 -0.101 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)[C@@H]2CCC(=O)N2C)CCC1 1064041670 NLHMFUZEZWTDHA-MNOVXSKESA-N 306.366 -0.078 30 20 DBED CCOCC(=O)NC[C@H]1CN(C(=O)CSCC#N)CCO1 1064881152 OOCTTZRHKGDVBF-NSHDSACASA-N 315.395 -0.377 30 20 DBED N#Cc1ccc(NC[C@@H]2CCCN2C(=O)[C@@H]2CNC(=O)N2)nn1 1064997721 IPAHRUCRNUCHIY-QWRGUYRKSA-N 315.337 -0.567 30 20 DBED C[C@H]1CN(C(=O)c2nnn(C)n2)C[C@@H]1Nc1ccc(C#N)nn1 1067176109 CUBYLNMYYJPNJH-WPRPVWTQSA-N 313.325 -0.556 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@@H](CNC(=O)c3cccnc3)C2)nn1 1067642352 BYECPSJKRDPBJZ-GXTWGEPZSA-N 324.344 -0.030 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H]1CCC2(CN(C(=O)COC)C2)O1 1068574194 ZJZLZSFMLZUVPW-CHWSQXEVSA-N 324.377 -0.453 30 20 DBED C#CCOCCC(=O)N[C@H]1COC2(C1)CN(C(=O)COCC)C2 1068867912 GCMRYSLNCDIUEG-CYBMUJFWSA-N 324.377 -0.451 30 20 DBED C[C@H]1C[C@@H](N=c2cc[nH]c(C#N)n2)CN1C(=O)c1nccnc1N 1069055535 VPLGBAUSTWAPKA-VHSXEESVSA-N 324.348 -0.143 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCCN(C(=O)CCOCC)C1 1070540966 FJTYLVOFQGJDPM-CYBMUJFWSA-N 323.393 -0.340 30 20 DBED C=CCOCC(=O)N1C[C@H](C)[C@@H](NC(=O)C2(C(N)=O)CC2)C1 1071812793 WBIMCZRZJDQSTH-QWRGUYRKSA-N 309.366 -0.582 30 20 DBED CC(C)C#CC(=O)N1C[C@H](C)[C@H](NC(=O)CN2CCOCC2)C1 1072035006 GIYDSVXXZYEGAM-LSDHHAIUSA-N 321.421 -0.059 30 20 DBED CC(C)C#CC(=O)N[C@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@@H]1C 1072636978 XMWYUOSPLAERKR-RYUDHWBXSA-N 305.378 -0.126 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC(C)(NC(=O)c2cnn[nH]2)CC1 1073024965 CRSISRVFGLIFFO-NSHDSACASA-N 319.365 -0.046 30 20 DBED N#CCN1CCC2(C1)CN(C(=O)[C@@H]1CCCCN1C(N)=O)C2 1073115809 AHBHHTDEEJIVAL-LBPRGKRZSA-N 305.382 -0.023 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](NC(=O)COC)[C@H](C)C1 1073633224 VYUFODTYHSRNQQ-VXGBXAGGSA-N 309.366 -0.875 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)c2cc(C(N)=O)co2)C1 1073763109 WEKUHYPXUHQNBO-LBPRGKRZSA-N 305.334 -0.168 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2CN(C[C@@H](C)O)CCCO2)nn1 1073807379 NRSKMHVCEJAHOE-OLZOCXBDSA-N 323.397 -0.334 30 20 DBED COc1c(C(=O)NC[C@@H]2CN(CC#N)CCCO2)cnn1C 1073871036 CVKVRIJCOIUFTO-LLVKDONJSA-N 307.354 -0.227 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)c3ccc(O)nn3)C[C@@H]21 1074159720 JLEVXQJHHUQYHY-STQMWFEESA-N 302.334 -0.269 30 20 DBED Cn1nc(C(=O)N2CC[C@H]3OCCN(CC#N)[C@H]3C2)ccc1=O 1074400887 XAPLJTUUUKAZOS-QWHCGFSZSA-N 317.349 -0.781 30 20 DBED C=CCOCC(=O)NCC[C@H](C)NC(=O)C[C@H]1CCNC1=O 1075919018 QCMWRPZEXQGFJU-NWDGAFQWSA-N 311.382 -0.274 30 20 DBED C[C@@H](CCNC(=O)[C@@H](C)C#N)NC(=O)CCCS(C)(=O)=O 1078130681 JOFDFCDASLDQOZ-QWRGUYRKSA-N 317.411 -0.018 30 20 DBED C#CCNC(=O)CC(=O)N(CC)C1CN(C(=O)CCN(C)C)C1 1079645910 PSEDMURFRIFWMK-UHFFFAOYSA-N 322.409 -0.863 30 20 DBED C=C[C@@](C)(O)CC(=O)N(CC)C1CN(C(=O)Cn2nccn2)C1 1079686351 AQJGKGPWQJRBAA-OAHLLOKOSA-N 321.381 -0.336 30 20 DBED CCN(C(=O)C#CC1CC1)C1CN(C(=O)[C@@H]2COCCO2)C1 1079736631 CUXPSXKFWIDXKO-AWEZNQCLSA-N 306.362 -0.126 30 20 DBED C=CCn1cccc1C(=O)N1C[C@@H](O)[C@H](CNC(=O)COC)C1 1081167552 WQDSAZRUHIKLLS-TZMCWYRMSA-N 321.377 -0.130 30 20 DBED C#CCCN1C[C@@H](NC(=O)c2ccc(C(N)=O)cn2)[C@H](OC)C1 1082393995 ONNBMSDIWDRZIL-ZIAGYGMSSA-N 316.361 -0.367 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cnn2ncccc12 1083107712 TZJQEZKOWJQUOU-LSDHHAIUSA-N 311.345 -0.112 30 20 DBED Cn1nc2c(c1C(=O)N[C@@H]1CN(CC#N)C[C@@H]1O)CCCC2 1083494123 KVULGCKZHQMGKB-OLZOCXBDSA-N 303.366 -0.403 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCc3cnn(C)c3C2)C1 1083728262 NHBYSQZOMVJNBY-LNSITVRQSA-N 304.394 -0.128 30 20 DBED C#Cc1ccccc1CC(=O)N[C@@H]1CN(CCCO)C[C@@H]1O 1083998983 YTLGRAIDIYRBSF-CVEARBPZSA-N 302.374 -0.246 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)c3ccc(S(N)(=O)=O)o3)[C@@H]2C1 1084483741 SRPHMHSIBIYLKV-GHMZBOCLSA-N 323.374 -0.294 30 20 DBED C[C@H](C[C@@H](C)Nc1cncc(C#N)n1)NC(=O)CNC(N)=O 1089214970 LVSZPZZLNXTNAB-RKDXNWHRSA-N 305.342 -0.288 30 20 DBED CNC(=O)NCC(=O)N[C@H](C)C[C@@H](C)N=c1cc[nH]cc1C#N 1089498570 IZKYHCOQFYYHRC-GHMZBOCLSA-N 318.381 -0.001 30 20 DBED C#CCNC1CC(CNC(=O)c2ccc(=O)n(CCOC)n2)C1 1091130484 HSZRWDLBLCCHDS-UHFFFAOYSA-N 318.377 -0.379 30 20 DBED COCCOCC(=O)NC1[C@@H]2CN(c3nccnc3C#N)C[C@@H]12 1093254895 UMDZGJIJXLPAAQ-GHMZBOCLSA-N 317.349 -0.438 30 20 DBED CC(C)N1CCO[C@H](C(=O)NCCNc2ccc(C#N)nn2)C1 1094082722 BTTKNCVPUMAKJX-ZDUSSCGKSA-N 318.381 -0.014 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)c3cnnc(O)c3)CC2=O)C1 1094746899 CENGGVMIYCVBJJ-LLVKDONJSA-N 317.349 -0.617 30 20 DBED C[C@H](NC(N)=O)C(=O)N[C@H]1CCN(c2ccc(C#N)nc2)C1 1096356419 ULKQTAHHJPQXGW-ONGXEEELSA-N 302.338 -0.295 30 20 DBED N#Cc1nc(=N[C@@H](CNC(=O)Cn2nccn2)C2CC2)cc[nH]1 1096736643 RKTFMMIGNYANSD-NSHDSACASA-N 312.337 -0.631 30 20 DBED CN(C)C(=O)CC(=O)N1CC[C@H](Nc2cncc(C#N)n2)C1 1096980135 VFZLLKDPVNOXCR-JTQLQIEISA-N 302.338 -0.161 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1C[C@@H](Nc2ncc(F)cn2)C1 1097176809 XDFUSNQDTJEODV-PHIMTYICSA-N 305.313 -0.186 30 20 DBED Cc1nc(N[C@H](C)CNC(=O)Cn2cnnn2)ccc1C#N 1097696163 KUIRPXQJEVXXEQ-SECBINFHSA-N 300.326 -0.135 30 20 DBED CCNC(=O)CCCC(=O)NC[C@H](C)N=c1cc[nH]c(C#N)n1 1097964894 LZMCKBXOXHIRFJ-NSHDSACASA-N 318.381 -0.007 30 20 DBED C[C@H](CNC(=O)C[C@@H]1CCNC1=O)Nc1cnc(C#N)cn1 1098098241 WMNGTPITQCZTCE-ZJUUUORDSA-N 302.338 -0.209 30 20 DBED COCC(=O)NCCC(=O)NC[C@@H](C)N=c1cc[nH]cc1C#N 1098329642 KMFUNLNQTIVNKF-LLVKDONJSA-N 319.365 -0.556 30 20 DBED C[C@H](CNC(=O)[C@H]1CCC(=O)NC1)N=c1cc[nH]cc1C#N 1098397892 WFSHZZWACGUQRZ-MNOVXSKESA-N 301.350 -0.182 30 20 DBED COC[C@H](OC)C(=O)N1CC[C@@H](n2cc(CNCC#N)nn2)C1 1098721797 KSYHVADYLIMRLN-OLZOCXBDSA-N 322.369 -0.674 30 20 DBED C[C@H](CCNC(=O)C1(C(N)=O)CC1)Nc1ccc(C#N)nn1 1099658789 YESYDIPWNPZTSF-SECBINFHSA-N 302.338 -0.080 30 20 DBED C#CCCCC(=O)N[C@H]1CCN(Cc2ncnn2C)C[C@@H]1O 1099806429 AOTQCOWTWQEXKK-STQMWFEESA-N 305.382 -0.330 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CCN(CCN2CCCC2=O)C[C@@H]1O 1099820926 MZVUPDNZPNJCFA-CABCVRRESA-N 321.421 -0.180 30 20 DBED Cc1nn(C)c(C)c1OCC(=O)N[C@H]1CCN(CC#N)C[C@@H]1O 1099833371 VEKGYRHLJLNUDC-STQMWFEESA-N 321.381 -0.509 30 20 DBED C=CCN1CC[C@H](NC(=O)C(=O)Nc2cc(C)on2)[C@@H](O)C1 1100112069 PNHZHCKQAWKUOD-QWRGUYRKSA-N 308.338 -0.341 30 20 DBED C=C(C)CCN1CC[C@@H](NC(=O)CS(=O)(=O)NC)[C@@H](O)C1 1100117035 AUVMWSLKYRMWSH-NEPJUHHUSA-N 319.427 -0.947 30 20 DBED C[C@](O)(CC(=O)NCC1CC(NCC(=O)NCC#N)C1)C1CC1 1100254707 INHPJBKWOYNEFS-TZDAIYRESA-N 322.409 -0.338 30 20 DBED Cc1cc(C#N)nc(N(C)CCNC(=O)[C@@H]2CCC(=O)NC2)n1 1100403914 DKOXCHWFRQIYAH-LLVKDONJSA-N 316.365 -0.265 30 20 DBED C#CCCNC1CC(CNC(=O)[C@@H](CCC)S(N)(=O)=O)C1 1100535938 BXTAXOSIXMDPQQ-WXRRBKDZSA-N 315.439 -0.049 30 20 DBED N#Cc1ccc(N2CCC[C@@H]2CNC(=O)Cn2cnnn2)nc1 1100777020 XPLRQMBKESAZRB-GFCCVEGCSA-N 312.337 -0.275 30 20 DBED CNC(=O)CC(=O)NC[C@@H]1CCN(c2ccnc(C#N)n2)C1 1100976491 CLZRQDUSQFGGTH-JTQLQIEISA-N 302.338 -0.573 30 20 DBED CNC(=O)CC(=O)NC[C@@H]1CCN(c2cncc(C#N)n2)C1 1100977915 ZZNVKALJDHXMJG-JTQLQIEISA-N 302.338 -0.573 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)CNC(N)=O)c3nccn32)C1 1101607779 XXWFHCBAWROGOO-LLVKDONJSA-N 316.365 -0.853 30 20 DBED CN(CCN(C)c1cnc(C#N)cn1)C(=O)CCNC(N)=O 1105400001 COTHUIOBMBMVHN-UHFFFAOYSA-N 305.342 -0.699 30 20 DBED C=CCOCC(=O)NC[C@@H](O)CNc1cc(Cl)c(O)nn1 1105746486 DELUGWCLBDICRA-QMMMGPOBSA-N 316.745 -0.073 30 20 DBED Cc1ccc(C#N)c(NC[C@@H](O)CNC(=O)[C@H]2COCCO2)n1 1105779532 DHHXUTFTQSAEOD-CHWSQXEVSA-N 320.349 -0.434 30 20 DBED CN1CCC(C(=O)NC[C@@H](O)CN=c2cc[nH]cc2C#N)CC1 1105881997 BWURBOKAOUAXNV-AWEZNQCLSA-N 317.393 -0.394 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)[C@H](C)COC)C[C@H]1C 1105933581 GJKQPUVQJLJTFI-MGPQQGTHSA-N 309.410 -0.298 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H](O)CNc1ccc(C#N)cn1 1105970367 GDRCDIHOUUIJBD-DGCLKSJQSA-N 302.334 -0.119 30 20 DBED Cc1ncn(C)c1C(=O)NC[C@H](O)CN=c1cc[nH]cc1C#N 1105999344 PBYXIGOAHKZDDX-GFCCVEGCSA-N 314.349 -0.380 30 20 DBED N#Cc1nc(=NC[C@@H](O)CNC(=O)[C@@H]2CCC2(F)F)cc[nH]1 1106009907 JMEHFUTXVITSSN-BDAKNGLRSA-N 311.292 -0.296 30 20 DBED Cn1ncc(C(=O)NC/C=C/CN=c2cc[nH]c(C#N)n2)c1N 1107139904 UTDMPBIIEIPEIL-NSCUHMNNSA-N 312.337 -0.516 30 20 DBED Cc1cc(=NC/C=C/CNC(=O)[C@H]2C[C@H]2C(N)=O)c(C#N)c[nH]1 1107516480 FRZDFVDUVGZRDA-XDYXTIEYSA-N 313.361 -0.111 30 20 DBED CCC[C@@H](NC(N)=O)C(=O)N[C@H](C)CN=c1cc[nH]c(C#N)n1 1107864806 BWCQAPOWTABVTM-NXEZZACHSA-N 319.369 -0.476 30 20 DBED CN(CC(=O)NC[C@]1(C)CN(CC#N)CCO1)C(=O)C1CC1 1107979557 IHPBWXQAWXEKSG-OAHLLOKOSA-N 308.382 -0.415 30 20 DBED C[C@H](CN1CCOCC1)C(=O)NC[C@@]1(C)CN(CC#N)CCO1 1108400827 KQYMQIOQPFGSHT-ZBFHGGJFSA-N 324.425 -0.315 30 20 DBED CC#CCN1CCO[C@@](C)(CNC(=O)c2c[nH]c(C(N)=O)c2)C1 1108402123 YWAPJEAPGMBIAD-INIZCTEOSA-N 318.377 -0.042 30 20 DBED Cc1cc(=NC[C@H](C)NC(=O)CCn2cnnn2)c(C#N)c[nH]1 1108484178 RVNSJDZTQRYOFK-NSHDSACASA-N 314.353 -0.323 30 20 DBED C[C@@H](CNc1nccnc1C#N)NC(=O)C[C@@H](C)NC(N)=O 1108528797 SBUPTGVWPCBHOL-BDAKNGLRSA-N 305.342 -0.288 30 20 DBED C[C@@H](CNc1nccnc1C#N)NC(=O)c1cc(=O)n(C)cn1 1108760520 AEAXWONDTRHLRW-VIFPVBQESA-N 313.321 -0.328 30 20 DBED C[C@@H](CNc1nccnc1C#N)NC(=O)c1nnc(O)nc1O 1108781997 JLRDOCNQHHQZRP-LURJTMIESA-N 316.281 -0.825 30 20 DBED C#CCN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CS(=O)(=O)N(C)C)C2 1108810142 SAOZMHZMJLNTKH-XQQFMLRXSA-N 313.423 -0.520 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1nc(=O)n(C)[nH]1 1109080039 JFVALYNBUPIBNN-ZNSHCXBVSA-N 304.354 -0.510 30 20 DBED CCC(=O)NCC(=O)N[C@@H]1[C@H]2C[C@H]1N(c1ccc(C#N)nn1)C2 1109702972 VHQSASCAWBIOFE-ZVWUFJHRSA-N 314.349 -0.432 30 20 DBED N#Cc1nccnc1NC[C@H](NC(=O)C1(C(N)=O)CC1)C1CC1 1109963662 MBCWBLXPWODCKN-NSHDSACASA-N 314.349 -0.080 30 20 DBED C[C@@H](CC(N)=O)C(=O)NCC1(Nc2cnc(C#N)cn2)CC1 1110298550 WMLRUNKLOMZUCR-VIFPVBQESA-N 302.338 -0.080 30 20 DBED CNC(=O)NCC(=O)NCC1(Nc2nccnc2C#N)CC1 1110381175 XQQUUUFVKIBUFO-UHFFFAOYSA-N 303.326 -0.662 30 20 DBED CNC(=O)CC(=O)NC[C@]1(O)CCN(c2ccc(C#N)cn2)C1 1111062807 QNEXLTLZKSKCIB-OAHLLOKOSA-N 317.349 -0.853 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H]1COCCN1c1ncccn1 1111700062 IHXJOHQHUZUUEI-STQMWFEESA-N 304.350 -0.164 30 20 DBED C=CCNC[C@]12CCC[C@H]1CN(C(=O)CN1CCNC(=O)C1)C2 1112507602 RKNKBKMKPDWWRK-YOEHRIQHSA-N 320.437 -0.178 30 20 DBED C[C@H](N=c1cc[nH]c(C#N)n1)[C@@H](C)NC(=O)c1ncn(C)n1 1113002460 XALALJGANDZDSR-DTWKUNHWSA-N 300.326 -0.482 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)c2cncc(C#C)c2)CC1 1113331154 KOVYZVPJNLIQJF-AWEZNQCLSA-N 324.384 -0.041 30 20 DBED CN1CCC[C@H](N2C[C@H]3[C@H](NC(=O)CSCC#N)[C@H]3C2)C1=O 1113897151 POEAGNDDHBFMON-KZVDOYCCSA-N 322.434 -0.090 30 20 DBED C=CCCO[C@H](C)C(=O)NC1[C@H]2CN(Cc3nnn(C)n3)C[C@H]12 1113998669 BIHSBRGQEBDKJY-WOPDTQHZSA-N 320.397 -0.262 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)CC3OCCCO3)[C@@H]2C1 1114181872 AMFVLIPUVAZMGL-VXGBXAGGSA-N 323.393 -0.512 30 20 DBED Cc1cn(C)nc1C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1114246115 QARCXWMXFRRFJT-YABSGUDNSA-N 316.365 -0.972 30 20 DBED CC(C)C#CC(=O)NC1[C@@H]2CN(CCNS(C)(=O)=O)C[C@@H]12 1114247524 LVUKATMFQQJSSD-VXGBXAGGSA-N 313.423 -0.759 30 20 DBED N#CCN(CC#N)C(=O)COCC(=O)NCc1cccnc1 1115971976 IUOCJHXHRZEKFE-UHFFFAOYSA-N 301.306 -0.410 30 20 DBED C=CCS(=O)(=O)CCNC(=O)NCC1(O)CCN(C)CC1 1116535441 YWEFLQPALRMXGB-UHFFFAOYSA-N 319.427 -0.657 30 20 DBED C#CCSCCNC(=O)C(=O)N(C)CCNC(=O)N(C)C 1117413123 XVXZSQYHDJCKJL-UHFFFAOYSA-N 314.411 -0.801 30 20 DBED C#CCNC(=O)CN1CCN(c2nnnn2[C@@H](C)CC)CC1 1119653059 YFESITBOAYOJKT-LBPRGKRZSA-N 305.386 -0.485 30 20 DBED COCCOCC(=O)NC[C@@H](CO)Nc1nc(C)cc(C#N)n1 1121212393 FWACQMHOSMYZNO-LBPRGKRZSA-N 323.353 -0.791 30 20 DBED Cn1ccc(C(=O)NC[C@@H](CO)N=c2cc[nH]c(C#N)n2)c1 1121296990 YYSRFQYIGYEDDJ-NSHDSACASA-N 300.322 -0.689 30 20 DBED Cn1cncc1CC(=O)NC[C@H](CO)Nc1ccc(C#N)nn1 1121798949 BPUNUIQAYOXFKO-LLVKDONJSA-N 315.337 -0.787 30 20 DBED CC(C)[C@@H](C(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1)N(C)C 1121839861 OEPPAULFQHPASB-FZMZJTMJSA-N 320.397 -0.755 30 20 DBED COCC1(C(=O)NC[C@H](CO)N=c2cc[nH]c(C#N)n2)CC1 1122245648 FNFQBAQNCARNQJ-SNVBAGLBSA-N 305.338 -0.914 30 20 DBED Cc1cc(C#N)nc(N[C@@H](CO)CNC(=O)c2csnn2)n1 1122365666 UOIRZUHRBTWZPE-SECBINFHSA-N 319.350 -0.289 30 20 DBED CN(C)CCCC(=O)NC[C@H](CO)Nc1nccnc1C#N 1122416937 QINNHCJDWDVPEZ-LLVKDONJSA-N 306.370 -0.421 30 20 DBED Cc1cc(C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)ccn1 1122418848 AUQKDMLLVZOZJL-LBPRGKRZSA-N 321.358 -0.031 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](CO)Nc1cncc(C#N)n1 1122594563 UBPBMTOWIKTCMD-UPJWGTAASA-N 317.349 -0.172 30 20 DBED CC(=O)N(C)CC(=O)N(C)C[C@H](O)CNc1cncc(C#N)n1 1124111222 DNRBDGGSCMDDPT-GFCCVEGCSA-N 320.353 -0.942 30 20 DBED C=CCCC(=O)NCCNC[C@@H]1CCN(S(C)(=O)=O)C1 1124640865 RJLDFRQEHNQMEV-LBPRGKRZSA-N 303.428 -0.060 30 20 DBED N#Cc1ccc(C(=O)NCCNCC(=O)NC[C@@H]2CCOC2)[nH]1 1125819242 UXAWVBNISPHQAA-NSHDSACASA-N 319.365 -0.642 30 20 DBED CC(C)Cc1ncc(C(=O)NCCNCC(=O)NCC#N)[nH]1 1127272285 MZTKOKYMSZGOGM-UHFFFAOYSA-N 306.370 -0.433 30 20 DBED C=CCCC(=O)N[C@@H]1CN([C@H]2CCNC2=O)C[C@@H]1n1ccnn1 1128807537 UFKBZAKBYKOHLQ-AGIUHOORSA-N 318.381 -0.526 30 20 DBED C#CCN1CCOC[C@H]1c1n[nH]c(CNC(=O)[C@H](O)C(C)C)n1 1130843883 ZZSUMNCDBSIVHU-WCQYABFASA-N 321.381 -0.556 30 20 DBED COCC#CCN1C[C@H]2C[C@H]3CN(C(=O)[C@H](C)OC)C[C@@]3(C1)O2 1131186712 CYZZRQDSLGNMIN-LJIGWXMPSA-N 322.405 -0.027 30 20 DBED C#CCCCC(=O)N1CCC(=O)NCCN(C[C@@H](C)O)CC1 1131356980 BUXLHEXYYOXDLE-CQSZACIVSA-N 309.410 -0.179 30 20 DBED COCC#CCNCCNC(=O)[C@@H]1COCCN1CC(F)F 1131826121 XABOPBGEHFOAPR-LBPRGKRZSA-N 319.352 -0.692 30 20 DBED Cc1nc[nH]c1C(=O)N[C@H]1CC[C@H](C)N(CC(=O)NCC#N)C1 1132547258 ZCEHYRUJQQVUKD-JQWIXIFHSA-N 318.381 -0.059 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1ccc2c(c1)CCO2 1134216004 UVHDMYYJKMSVNB-UHFFFAOYSA-N 301.346 -0.310 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1cnn(CC)c1C 1135660490 KZUXKLIZJGHYNQ-NSHDSACASA-N 305.382 -0.331 30 20 DBED CNC(=O)C1(C(=O)N[C@@H](C)C[C@@H](C)NCC(=O)NCC#N)CC1 1135676569 YRGRGOCADZTRDE-MNOVXSKESA-N 323.397 -0.975 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CCN(C(=O)CC)C1 1146912942 XNSXIUULMADGAA-CHWSQXEVSA-N 322.409 -0.911 30 20 DBED C=CCNC(=O)CN1CCC2(C1)CN(C(=O)c1cnns1)C2 1147066026 HUXOXWCVXCXSKL-UHFFFAOYSA-N 321.406 -0.012 30 20 DBED COCC#CCN1CCCO[C@H](CNC(=O)C2(C(N)=O)CC2)C1 1150253593 DKEQLRGTTKLMFC-CYBMUJFWSA-N 323.393 -0.891 30 20 DBED COCC#CCNCCNC(=O)[C@H]1CCCN1C(=O)C(C)C 1151457843 VXWUGEDLQOYBQS-CQSZACIVSA-N 309.410 -0.011 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)c1cnccn1 1151620888 NBWHCUDIIGUTAQ-LLVKDONJSA-N 304.354 -0.443 30 20 DBED O=C(C#CC1CC1)NCCCNC[C@H](O)CN1CCCC1=O 1157673502 DPOXDSPGYMFJBP-AWEZNQCLSA-N 307.394 -0.521 30 20 DBED C#CCOCCC(=O)NCCCNCc1nnnn1CCC 1157846171 NQOPCMWXKRHJNU-UHFFFAOYSA-N 308.386 -0.281 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)CO[C@H]1CCOC1 1157953635 NYTMYRNRIBJFFZ-STQMWFEESA-N 311.382 -0.974 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCCCN[C@H](C)C(=O)NC 1170310372 HFSKGLRWSFRXIP-QWHCGFSZSA-N 324.425 -0.475 30 20 DBED COCCOCCC(=O)N1CC[C@@H]2OCCN(CC#N)[C@@H]2C1 1177161307 CAPZVHCWMYZODU-KGLIPLIRSA-N 311.382 -0.135 30 20 DBED CC#CCN[C@H]1CCN(C(=O)[C@@H](C)NS(=O)(=O)CC)[C@H]1C 1178753594 PKGAMTCMSCLHOG-AGIUHOORSA-N 315.439 -0.084 30 20 DBED C=C(Cl)CN[C@@H]1CCN(C(=O)CCCS(N)(=O)=O)C1 1185305285 TZDMXKAIVDNOTH-SNVBAGLBSA-N 309.819 -0.002 30 20 DBED Cc1cc(C(=O)N2CC[C@H](N(C)CC(=O)NCC#N)C2)cnn1 1189819814 ZRYMWECSVSNVRA-ZDUSSCGKSA-N 316.365 -0.429 30 20 DBED CC(C)c1nnc(CN2C[C@@H](O)[C@H](NC(=O)[C@H](C)C#N)C2)n1C 1191853512 DFJZLXILNJQLIN-IJLUTSLNSA-N 320.397 -0.241 30 20 DBED C=CCCN(C)[C@@H]1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)C1 1192631680 HUXVJAXEBKXZGN-GFCCVEGCSA-N 320.393 -0.194 30 20 DBED CN(CC(=O)NCC#N)[C@@H]1CCN(C(=O)Cn2ccnc2)C1 1194449244 RGTXOIARYGXTLN-GFCCVEGCSA-N 304.354 -0.944 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)c2nccnc2N)CC1 1199878685 XEJWFQHJZMIUFC-UHFFFAOYSA-N 318.381 -0.445 30 20 DBED C[C@@H](NC[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)CCCO1)C(N)=O 1200284666 YHBMVLPMXVNCBL-PWSUYJOCSA-N 319.365 -0.419 30 20 DBED C#CCNC[C@H]1CN(C(=O)C[C@@H]2CCCC(=O)N2)CCCO1 1200929985 KDCXCEYLJGXQTO-KBPBESRZSA-N 307.394 -0.115 30 20 DBED N#CCNC[C@@H]1CN(C(=O)[C@@H]2CCCc3nn[nH]c32)CCCO1 1201262094 SWCHSOVOCNLQFP-VXGBXAGGSA-N 318.381 -0.045 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[nH]2)C[C@H]1C 1206938367 UHPPODQQHHOBKQ-VXGBXAGGSA-N 305.382 -0.296 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)C2=COCCO2)C1 1207143424 LTCSEKRVSQTUNG-LBPRGKRZSA-N 307.350 -0.795 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)c2cn(C)c(O)n2)C1 1209430551 BNCFCGHDGOUQII-NSHDSACASA-N 319.365 -0.931 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)CC(C)(C)C)[C@H](OC)C1 1211864417 GWFRVOJMMDKKLQ-CHWSQXEVSA-N 309.410 -0.013 30 20 DBED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)[C@@H](C)C1CC1 1212080954 FAVCOHSMEPKHES-CYZMBNFOSA-N 308.382 -0.512 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)CS(=O)(=O)CC(C)C)C1 1219892204 YPAMIEQBPWNLBV-OLZOCXBDSA-N 316.423 -0.758 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@@H](CC2CCC2)NC(C)=O)C1 1220214981 VCDMBDCKYNCPHZ-KFWWJZLASA-N 307.394 -0.524 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2nc(C)no2)C[C@@H]1O 1221141137 KKDBZOGVIIWMLC-JLLWLGSASA-N 310.354 -0.370 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3cnco3)[C@@H]2C1 1221722179 IUUXOSRCHNDGSP-VXGBXAGGSA-N 302.334 -0.430 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)c2nccnc2N)CC1 1226625540 LTGRQZCVQCLZQC-UHFFFAOYSA-N 318.381 -0.445 30 20 DBED N#Cc1c[nH]c(C(=O)NC2CCN(CC(=O)NC(N)=O)CC2)c1 1226750281 STDIVJHRSDKDPM-UHFFFAOYSA-N 318.337 -0.725 30 20 DBED C#CCNC(=O)CC(=O)NC1CCN(Cc2nccn2C)CC1 1226961430 CAQCORXJUGIVFF-UHFFFAOYSA-N 317.393 -0.360 30 20 DBED COCC#CCN1CC[C@@H]1CN(C)C(=O)Cc1n[nH]c(C)n1 1234204896 GGPQJCNPWAOQQD-CYBMUJFWSA-N 305.382 -0.162 30 20 DBED C#CCNC(=O)[C@@H](C)OC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1319385929 CINONHLJNRGWDT-SECBINFHSA-N 307.262 -0.562 30 20 DBED N#CCNC(=O)CNC(=O)N1CC[C@@H](C(F)(F)F)[C@H](CO)C1 1323174074 KIARBUMRQDVTDJ-DTWKUNHWSA-N 322.287 -0.172 30 20 DBED C=C[C@@H]1CCCCN1C(=O)C(=O)NCCCN1C(=O)CNC1=O 1323280957 XMDMFLSPYIEIPW-LLVKDONJSA-N 322.365 -0.388 30 20 DBED CC(C)(CNC(=O)C(=O)N1CC[C@@](F)(C#N)C1)S(C)(=O)=O 1324201578 BBUALMNAZCMHRJ-GFCCVEGCSA-N 319.358 -0.610 30 20 DBED C=CCCOCCn1nnnc1N(C)[C@@H]1CCS(=O)(=O)C1 1335863204 AMBVVAPHXJQRHI-LLVKDONJSA-N 315.399 -0.111 30 20 DBED N#CCN1CCC(NC(=O)NCCC(=O)N2CCOCC2)CC1 1338692163 XXNVVLJSDXQZEW-UHFFFAOYSA-N 323.397 -0.478 30 20 DBED C=C(C)Cn1c([C@H](O)COC)nnc1N1CCCNC(=O)C1 1343272422 YHPOMVJODOFBBS-LLVKDONJSA-N 309.370 -0.140 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N1CCN(CC(C)(C)O)CC1 1347038415 FXVYLYJONHAXGD-LBPRGKRZSA-N 313.398 -0.781 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H]1CCN(c2cc(=O)n(C)c(O)n2)C1 1353141685 HIHCYAHIKORTKQ-MNOVXSKESA-N 320.349 -0.781 30 20 DBED N#Cc1cn(CCC(=O)N2CCC[C@H](CO)C2)c(=O)nc1O 1362038095 CKAUNFARUPCUDI-JTQLQIEISA-N 306.322 -0.558 30 20 DBED N#Cc1cn(CCC(=O)NCC2OCCCO2)c(=O)nc1O 1362616046 BNFWISPLSNWFBT-UHFFFAOYSA-N 308.294 -0.910 30 20 DBED C[C@@H]1C[C@H](NS(=O)(=O)N2CCO[C@@H](C#N)C2)c2nccn21 1364866280 SMTKKGUVDZAUFZ-VWYCJHECSA-N 311.367 -0.052 30 20 DBED C[C@@H](C#N)C(=O)N(C)C[C@@H]1CCCN1C(=O)CS(C)(=O)=O 1382615328 MCTYZEACBAGBJV-QWRGUYRKSA-N 315.395 -0.360 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@@H]1CCN(C(=O)c2cc(=O)n(C)cn2)C1 1385272586 XBIPNKSIGAHBGX-GHMZBOCLSA-N 317.349 -0.387 30 20 DBED CCC[C@@H](C(=O)N(C)CCNC(=O)[C@@H](C)C#N)S(N)(=O)=O 1398015375 RAUHSLPFBPEWMW-UWVGGRQHSA-N 318.399 -0.822 30 20 DBED C=C(Br)CNC[C@@H](O)CNC(=O)[C@@H]1CCC(=O)N1 1401588307 SCTTYYJWDDVMHZ-BDAKNGLRSA-N 320.187 -0.760 30 20 DBED Cc1nc(O)c2c(n1)CN(c1[nH]c(=O)n(C)c(=O)c1C#N)C2 1413900026 MYYNBFRWKSNPMT-UHFFFAOYSA-N 300.278 -0.731 30 20 DBED N#Cc1cn(CCNC(=O)N=c2cc[nH]cc2)c(=O)nc1O 1414439122 ZPVULSVXHHEABS-UHFFFAOYSA-N 300.278 -0.541 30 20 DBED C[C@@H](C#N)C(=O)N1CC(CNC(=O)[C@@H](NC(N)=O)C(C)(C)C)C1 1416107440 LYSHRKDFGHCJMD-GXSJLCMTSA-N 323.397 -0.196 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)Cc2cc[nH]n2)C1 1417435089 RHJFZLNODYOLRG-HZMBPMFUSA-N 305.338 -0.809 30 20 DBED C[C@H](C#N)C(=O)N1CCC(N(CCO)Cc2cn(C)nn2)CC1 1418839720 VRRIGKOULVOAPO-GFCCVEGCSA-N 320.397 -0.240 30 20 DBED COCCN(CCNC(=O)[C@H](C)C#N)C(=O)c1cnn(C)c1 1428422986 JYBMCBBSAJLCJZ-LLVKDONJSA-N 307.354 -0.215 30 20 DBED N#Cc1ccc(C(=O)NC[C@@H](O)CNC(=O)c2cncs2)[nH]1 1433250260 FAURXXCBJGVRRR-SECBINFHSA-N 319.346 -0.136 30 20 DBED COc1ccnc(C(=O)N(C)C[C@H](O)CNC(=O)[C@H](C)C#N)c1 1444708338 SZDXZZNGALYLCC-GHMZBOCLSA-N 320.349 -0.201 30 20 DBED COc1ncnc(OC)c1C(=O)NC[C@H](C)NC(=O)[C@@H](C)C#N 1452967440 JIOXEKVZUMCASA-IUCAKERBSA-N 321.337 -0.112 30 20 DBED C[C@H](C#N)C(=O)NCCN(C)C(=O)Cc1nnn(C(C)(C)C)n1 1455433604 LPWSSKNPQBNFJO-SNVBAGLBSA-N 321.385 -0.295 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@]2(CCN(C(=O)CCNC(N)=O)C2)C1 1459149557 GTPQGBFDLCHKER-XHDPSFHLSA-N 321.381 -0.345 30 20 DBED C[C@@H](C#N)C(=O)NC1CCN(C(=O)[C@@H]2CCNC(=O)C2)CC1 1492080622 WNQIHGMUSOLVAS-WDEREUQCSA-N 306.366 -0.221 30 20 DBED C[C@H](C#N)C(=O)NCCN(C)C(=O)C[C@@H]1CCS(=O)(=O)C1 1496499084 ABTWLXSNZQIOBT-MNOVXSKESA-N 315.395 -0.455 30 20 DBED C[C@H](C#N)C(=O)NCCN(C)C(=O)COCc1nncn1C 1496500714 QXRSRHXDLYQVQJ-SNVBAGLBSA-N 308.342 -0.934 30 20 DBED N#Cc1cn(CCC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3)c(=O)nc1O 1580081041 PYXNOPWOJMXCDN-VWYCJHECSA-N 303.322 -0.780 30 20 DBED C#C[C@H]1CC[C@H](NC(=O)C(=O)NC[C@H]2CCO[C@H]2C(=O)O)CC1 1588511481 YDZCLGDYRYYFSY-FDYHWXHSSA-N 322.361 -0.100 30 20 DBED N#CCCNC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)c(F)c1 1592678193 PBYLXHCDGXEWSI-UHFFFAOYSA-N 303.257 -0.026 30 20 DBED COC(=O)C1CC2(C1)CN(CC(=O)NCC#N)C[C@@H]2C(=O)O 1593823935 HLNNJGDHQUIHAD-OPASDULOSA-N 309.322 -0.788 30 20 DBED C#CCN(CC(=O)O)c1nnnn1C1CC(CC(=O)OC)C1 1602701080 VALCYIAADLAIHO-UHFFFAOYSA-N 307.310 -0.289 30 20 DBED C=CCCC[C@@H](NC(=O)Cn1cc(C#N)c(O)nc1=O)C(=O)O 1602865720 PRHCUWMDSXDRGE-SNVBAGLBSA-N 320.305 -0.254 30 20 DBED COCCn1nnc2c1CCN(C(=O)[C@@](C)(C#N)CC(=O)O)C2 1604639224 GRCPXJGBNFDMHZ-CQSZACIVSA-N 321.337 -0.186 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)c2cncc(-c3nn[nH]n3)c2)CCO1 1606345496 JKGXCFXRUMSRMJ-SECBINFHSA-N 321.322 -0.825 30 20 DBED N#CCCN(CCC#N)C(=O)Cn1cnc(C#N)c1-c1nn[nH]n1 1606349252 HLXOUEASZBRTFR-UHFFFAOYSA-N 324.308 -0.409 30 20 DBED COCC#CCNC[C@H]1CCCN1C(=O)c1cnc(O)n1C 1666446986 GHQDQBXNZIXUHX-GFCCVEGCSA-N 306.366 -0.030 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)c2ccn(C)n2)C1 1714334312 BRKYBPHBYBRIJZ-NEPJUHHUSA-N 303.366 -0.638 30 20 DBED C#CCCN1CCN(CCNC(=O)[C@@H](CC)NC(C)=O)CC1 1752374261 BQLAOZJFFZRHMD-OAHLLOKOSA-N 308.426 -0.342 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)CCNCC(=O)N(C)C1CC1 1753198959 JHRHUPWVHSAXIZ-HNNXBMFYSA-N 320.437 -0.247 30 20 DBED C#CCNC(=O)[C@H](C)N1CCO[C@@H](CNC(=O)C#CC(C)C)C1 1753648829 NWODACHKYAZSQL-GJZGRUSLSA-N 319.405 -0.399 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)[C@@H](NC(C)=O)[C@@H](C)CC)C1 1753657798 HGTXHVFZSWDZSE-QEJZJMRPSA-N 309.410 -0.013 30 20 DBED C=CCOCCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)CS(C)(=O)=O 1754420326 HROAEXKBEIPDEP-NTZNESFSSA-N 302.396 -0.578 30 20 DBED CCOCCNC(=O)CN1CC(N(C)C(=O)C#CC(C)C)C1 1754575392 RVXRVWKTPISXBK-UHFFFAOYSA-N 309.410 -0.059 30 20 DBED CCNC(=O)NC(=O)CNC[C@@H]1CCCN1C(=O)C#CC1CC1 1754610248 IDTNBDMUAPTMDU-ZDUSSCGKSA-N 320.393 -0.174 30 20 DBED C[C@@H]1CN(C(=O)CCNS(C)(=O)=O)C[C@@H]1CNCC#N 1754817064 JPHVRTKOUZCQDC-MNOVXSKESA-N 302.400 -0.867 30 20 DBED COCC#CCN1CCC2(CC1)CN(C(=O)CCNC(N)=O)C2 1754962934 SSGHPNBWXQKXSM-UHFFFAOYSA-N 322.409 -0.381 30 20 DBED C#CCNC(=O)CN[C@H](C)[C@H](C)NC(=O)C12CCCN1CCC2 1755241801 HXADRMOWLREAPP-KGLIPLIRSA-N 320.437 -0.153 30 20 DBED C#CCCN[C@H]1CCN(C(=O)CN2CCN(C)C(=O)C2)[C@@H]1C 1755655858 DCLKXBIJGBDLBN-KGLIPLIRSA-N 306.410 -0.637 30 20 DBED C#CCN[C@@H]1CCN(C(=O)CS(=O)(=O)CCOC)[C@H]1C 1755656783 UCPJWAKYFNEJJV-NWDGAFQWSA-N 302.396 -0.740 30 20 DBED C#CCNC(=O)CN[C@@H]1C[C@@H](C)N(C(=O)c2ccn(C)c2)C1 1755673006 FJGXQKDVKXZKID-TZMCWYRMSA-N 302.378 -0.033 30 20 DBED C#CCOCCC(=O)N1C[C@@H](NCC(=O)NC2CC2)C[C@H]1C 1755678781 OOUWUMAWVKRTCT-OCCSQVGLSA-N 307.394 -0.116 30 20 DBED Cc1nn(C)c(C)c1OCC(=O)N(C)C[C@H](O)CNCC#N 1755779269 HAOIYXTXBQGXLV-GFCCVEGCSA-N 309.370 -0.652 30 20 DBED C=CCO[C@H](C)C(=O)N1CC(CCO)(NC(=O)c2ccon2)C1 1756077573 DFYYZUXKIQULEP-LLVKDONJSA-N 323.349 -0.041 30 20 DBED C#CCOCCC(=O)N1CC([C@@H](C)NC(=O)[C@@H](C)CC(N)=O)C1 1756152430 POVZNLCBHXGWSW-NWDGAFQWSA-N 323.393 -0.499 30 20 DBED CC(C)C#CC(=O)N1C[C@H]2CC[C@H]1CN2C(=O)[C@H]1CNC(=O)N1 1756166013 MQJNMXIZRVVIFA-YNEHKIRRSA-N 318.377 -0.471 30 20 DBED C[C@H](NC(N)=O)C(=O)N(C)[C@@H](CNC(=O)C#CC1CC1)C1CC1 1756409642 RUFPOQLVHFKREE-GWCFXTLKSA-N 320.393 -0.190 30 20 DBED C=CCCCC(=O)NC[C@H](CO)NC(=O)c1ccc(=O)n(C)n1 1756546246 LNKOWHOZKGWXQZ-LLVKDONJSA-N 322.365 -0.657 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(C(=O)C2(CF)CC2)C[C@H]1O 1756997321 NTUAORANQPUEJO-VXGBXAGGSA-N 312.341 -0.536 30 20 DBED C#CCOCCC(=O)N1C[C@H](O)[C@H](NC(=O)C2=CCOCC2)C1 1757167256 JJPLQIQEWZEREA-KGLIPLIRSA-N 322.361 -0.939 30 20 DBED C=C[C@@](C)(O)CC(=O)N1C[C@H](O)[C@H](NC(=O)C2=CCOCC2)C1 1757167516 PZWRUHHMDMBLQN-DVOMOZLQSA-N 324.377 -0.652 30 20 DBED N#Cc1ccc(CNC(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)nc1 1771701481 CPILSVLLQXZKER-NWDGAFQWSA-N 303.322 -0.215 30 20 DBED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(C)=O 1800515046 BUWICNQEZAXNMS-YWVIFJGQSA-N 321.377 -0.875 30 20 DBED N#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CC(=O)C1 1802007623 ODSSDUAUDJELHU-JJLQDPRZSA-N 319.361 -0.141 30 20 DBED C#CCN1CCN(C(=O)CN2CCN(C)C(=O)C2(C)C)CC1 130000864 AFHCEHUYANLQHO-UHFFFAOYSA-N 306.410 -0.684 30 20 DBED C#CCNS(=O)(=O)c1ccc(C(=O)N2CC(N(C)C)C2)cc1 158328320 OYTVQEQOJHEOBB-UHFFFAOYSA-N 321.402 -0.016 30 20 DBED C#CCOCCC(=O)NCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 162591738 LPGSHVIYXGNQKB-UHFFFAOYSA-N 316.317 -0.049 30 20 DBED CN1C(=O)C(/C(N)=N/OCc2ncnn2C)=C(N)C12CCCC2 177671443 FFEVXHDQMRZRIP-UHFFFAOYSA-N 319.369 -0.399 30 20 DBED C/N=C(/NCC(=O)N(C)C)N[C@@H]1CCCN(c2ncccn2)C1 262308361 PEHYTJWSHILELM-GFCCVEGCSA-N 319.413 -0.301 30 20 DBED N#C[C@H]1CN(C(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)CCO1 264451457 CUIPRXBPJHWAML-NARNDRFESA-N 315.329 -0.456 30 20 DBED N#Cc1ccc2c(c1)N(C(=O)C(=O)NC[C@]1(O)CCOC1)CC2 270171637 KDXHRZKTCLMLDQ-MRXNPFEDSA-N 315.329 -0.285 30 20 DBED Cn1c(=O)c2c(ncn2CCN(CC#N)C2CC2)n(C)c1=O 272158775 VHIZBQBWDFNOIG-UHFFFAOYSA-N 302.338 -0.578 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)CN2C(=O)CN(C)C2=O)C1=O 281730219 NZWGHNJHNZPJLY-SNVBAGLBSA-N 308.338 -0.874 30 20 DBED N#Cc1ccc(CNC(=O)NC[C@H]2CC(C(N)=O)=NO2)cc1 284733312 RFHVAGCZPZRCGR-LLVKDONJSA-N 301.306 -0.012 30 20 DBED C=CCNC(=O)CS(=O)(=O)c1nnc(O)n1CCCC 285056225 KTMLWVNLGSGIHP-UHFFFAOYSA-N 302.356 -0.140 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2[C@@H](C)CCN[C@@H]2C)C1=O 286007578 JAZKMCSHXXOPFJ-HOSYDEDBSA-N 322.365 -0.534 30 20 DBED Cn1c(=O)c2cc(C(=O)N(CC#N)C3CC3)cnc2n(C)c1=O 299290237 IKCGPIMOEIAMCC-UHFFFAOYSA-N 313.317 -0.240 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)NCCN1CCN(C)CC1 330416338 NYBLXPREENPRTN-LBPRGKRZSA-N 303.432 -0.698 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@H](C)CS(C)(=O)=O 332450617 GMRPKNVWVTVKDF-VHSXEESVSA-N 311.429 -0.265 30 20 DBED C=CCN(C)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O 343047704 ODIRMMZUSGJSBE-JMLLCIOISA-N 321.337 -0.940 30 20 DBED COc1cc(OCC(=O)NCC(=O)NCC#N)ccc1[N+](=O)[O-] 344148318 GJPKVPGEZXZVES-UHFFFAOYSA-N 322.277 -0.262 30 20 DBED C[C@H](CS(C)(=O)=O)N(C)C(=O)CNc1ccc(C#N)cn1 345459041 ZBTXPGODTKNBMD-SNVBAGLBSA-N 310.379 0.257 30 20 DBED CCN(CCC#N)S(=O)(=O)N[C@H](CCOC)C(=O)OC 352560115 NJGIYUAYLXIVPT-SNVBAGLBSA-N 307.372 -0.366 30 20 DBED C=CCNc1nnc(S(=O)(=O)[C@@H](C)C(=O)N(C)C)s1 352747027 ULDQHWTUSMPOKJ-ZETCQYMHSA-N 304.397 0.386 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC[C@H](C)COC)C1=O 355042911 GMAMOOQDFZSLBQ-RYUDHWBXSA-N 311.382 -0.370 30 20 DBED N#Cc1ccc(NCC(=O)N[C@H](CO)Cc2ccncc2)nc1 357006144 VDUOZECFLGXOCW-AWEZNQCLSA-N 311.345 0.480 30 20 DBED C=CCCN(C)C(=O)C(=O)N[C@H]1CCOC[C@@H]1OCCOC 360198844 JKEVPEZOQDFPBE-STQMWFEESA-N 314.382 -0.042 30 20 DBED COCC[C@@H]1COCCN1C(=O)NCCn1cnc(C#N)n1 362114378 SHIVRQZAVNYARY-LLVKDONJSA-N 308.342 -0.403 30 20 DBED C=CCNC(=O)CNC(=O)c1c(C)nn(C)c1-n1cccn1 428022196 LFHOWXNPQUCSGL-UHFFFAOYSA-N 302.338 -0.054 30 20 DBED COCCO[C@@H]1COCC[C@@H]1NC(=O)N1CCO[C@H](C#N)C1 487054066 DKECLIVBYYCALT-FRRDWIJNSA-N 313.354 -0.259 30 20 DBED C=CCn1c(O)nnc1S(=O)(=O)CCCN1CCCC1=O 551588573 YETMECQDFFDJGU-UHFFFAOYSA-N 314.367 -0.044 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(Cc2csnn2)c1=O 560226560 PCHRZVJDMXHTQK-UHFFFAOYSA-N 307.335 -0.557 30 20 DBED CN(CCC#N)C[C@H](O)CNCCNC(=O)c1cccnc1 565476307 NELUFWAXXLMYLZ-CQSZACIVSA-N 305.382 -0.393 30 20 DBED COC(=O)[C@H](CNc1c(C#N)c(=O)n(C)c(=O)n1C)CC1CC1 566860073 NBZKJJAGSGUNNU-JTQLQIEISA-N 320.349 -0.043 30 20 DBED Cc1cc(NC(=O)C(=O)N2CCN(CCO)CC2)ncc1C#N 569863206 DMUKZGGHSZGUJH-UHFFFAOYSA-N 317.349 -0.663 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1C 588907216 CIVHDXNWEJXSLB-LPEHRKFASA-N 309.413 -0.512 30 20 DBED Cc1cc(NC(=O)C(=O)N2CC[C@@H](CC(N)=O)C2)ncc1C#N 594302666 UQBKVEBQPCJULG-JTQLQIEISA-N 315.333 -0.076 30 20 DBED Cn1c(N2CCC[C@H](n3ccnc3)C2)c(C#N)c(=O)n(C)c1=O 609132928 WAIJXQVBTPPEGV-NSHDSACASA-N 314.349 -0.006 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CCN([C@H]2CCOC2)CC1 619712629 LVKVPNLSCLJEMM-ZDUSSCGKSA-N 316.427 -0.127 30 20 DBED CC#CC[C@@H](CO)NC(=O)C(=O)N=c1ccn([C@@H](C)COC)[nH]1 646951967 VATJTZVGIIMJCF-RYUDHWBXSA-N 322.365 -0.659 30 20 DBED CCC1(CC)NC(=O)N(CC(=O)OCC(=O)NCC#N)C1=O 731233790 QKUXZLQLRLPHQH-UHFFFAOYSA-N 310.310 -0.720 30 20 DBED COC1CN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 733968157 NBJYSKDYYHIUSU-UHFFFAOYSA-N 323.374 -0.028 30 20 DBED C#C[C@H](CC)NC(=O)NCCN1CCN(S(C)(=O)=O)CC1 753130456 MACDECJIUGNFNL-GFCCVEGCSA-N 316.427 -0.725 30 20 DBED C=CCNC(=O)NC(=O)CN[C@@]1(CC(=O)OC)CCCOC1 770691120 FIHYDAZPWMEXOL-CQSZACIVSA-N 313.354 -0.300 30 20 DBED CN1C(=O)C[C@@H](NC(=O)C#Cc2ccc3c(c2)OCO3)C1=O 773656807 DZZHXXJICFQWLF-SNVBAGLBSA-N 300.270 -0.360 30 20 DBED CN1C(=O)CN(CN2CCN(c3cnccc3C#N)CC2)C1=O 793676326 ZIPNDOGWDLSUPU-UHFFFAOYSA-N 314.349 -0.073 30 20 DBED CC[C@](C)(C#N)C(=O)OCC(=O)c1c(N)n(C)c(=O)n(C)c1=O 803787269 BWOOGBYPBATKQC-CQSZACIVSA-N 322.321 -0.668 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCC[C@H](C(=O)O)C1)[C@@H]1CCCO1 817112024 PUDGHEURVKOSJA-SRVKXCTJSA-N 308.334 -0.393 30 20 DBED C[C@@](C#N)(CC(=O)O)C(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 819832368 AYYWHWWIAYDKPE-SKDRFNHKSA-N 317.367 -0.611 30 20 DBED CCS(=O)(=O)N1CCC[C@H](C(=O)N[C@H]2CNC[C@H]2C#N)C1 834495744 YTTQXWVFIKGQCW-TUAOUCFPSA-N 314.411 -0.724 30 20 DBED CNS(=O)(=O)c1ccc(C(=O)N[C@H]2CNC[C@H]2C#N)cc1 834517459 VSQSJGPPYXQELP-PWSUYJOCSA-N 308.363 -0.564 30 20 DBED C#CCN(C)CCCNC(=O)N1CCN(CC(=O)N(C)C)CC1 838623783 MQPXUUNIVCRNNQ-UHFFFAOYSA-N 323.441 -0.643 30 20 DBED N#Cc1cccc(C(=O)COC(=O)[C@@H]2CCS(=O)(=O)N2)c1 845377048 XDPCCXRYYXIOMU-NSHDSACASA-N 308.315 -0.024 30 20 DBED C=CC(=O)N(C)CC(=O)N(C)CCCc1[nH]nc(N)c1C#N 860463104 MURWOKVSDJYXRJ-UHFFFAOYSA-N 304.354 -0.101 30 20 DBED C#C[C@@H](NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)[C@H]1CCCO1 860942424 JDWFBOWYQUZTGW-YNEHKIRRSA-N 314.407 -0.045 30 20 DBED C#CCNS(=O)(=O)N1CCN(c2ncnc3c2CCC3)CC1 872633577 MNWPGWDAIATSRK-UHFFFAOYSA-N 321.406 -0.445 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N1CCN2CCOC[C@@H]2C1 875595577 CAZCZQXQAXIWJW-KBPBESRZSA-N 323.393 -0.926 30 20 DBED C#CC[C@H](CCOC)NC(=O)N1C[C@@H](O)C[C@@H](C(=O)OC)C1 875915066 RXDCGFBDUBTLOJ-UPJWGTAASA-N 312.366 -0.020 30 20 DBED C[C@@H]1COC[C@H]1NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 928887333 ATHXOYVZGXGKDL-MWLCHTKSSA-N 323.374 -0.124 30 20 DBED C#CCNS(=O)(=O)N1CCN([C@@H](C)c2ncccn2)CC1 930119040 NTRJZKHVSGFUAZ-LBPRGKRZSA-N 309.395 -0.377 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H]2COC[C@@H]2C)C1=O 932090158 WMNAFNZYASPLKR-SRVKXCTJSA-N 309.366 -0.617 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](N(C)C(=O)c2cc(C(N)=O)c[nH]2)C1 939398727 ZJGLCZRYCQHTDS-GXSJLCMTSA-N 317.349 -0.054 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)[C@@H]2CCOC2)C1 939646456 RJMSKOPNIKCVAS-KFWWJZLASA-N 319.405 -0.162 30 20 DBED C#Cc1ccc(C(=O)N2CCCN(C(=O)C(N)=O)CC2)cn1 941776098 LQHFREXSLDHTPU-UHFFFAOYSA-N 300.318 -0.777 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@H](CNC(=O)C2=COCCO2)C1 944457826 SHLHQYUNLWOECT-GHMZBOCLSA-N 309.322 -0.622 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(N(C)C(=O)CN2CCOCC2)CC1 953878064 OCVTYKYAULNQEN-ZDUSSCGKSA-N 322.409 -0.072 30 20 DBED N#CCN1CCC2(CC1)CCN(C(=O)[C@H]1CNC(=O)N1)CC2 957595475 RCIPLJPWFNPYRB-GFCCVEGCSA-N 305.382 -0.104 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2ccc3c(n2)OCCO3)C1 958214536 JAMSGCUURXTUHD-WCQYABFASA-N 317.345 -0.492 30 20 DBED N#Cc1c[nH]c(C(=O)NC2[C@@H]3CN([C@H]4CCCNC4=O)C[C@@H]23)c1 958501181 XELYJNWJAGJRRF-WZRBSPASSA-N 313.361 -0.175 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cnn(CCOC)c2)C1 958635384 IOGFPCCEVVGBRF-GXTWGEPZSA-N 306.366 -0.815 30 20 DBED C#CCN1C[C@@H]2C(NC(=O)c3c(C)c(C)nn(C)c3=O)[C@H]2C1 961429387 RZKVZEOITNDEDC-RYUDHWBXSA-N 300.362 -0.310 30 20 DBED Cc1nonc1C(=O)N[C@H]1COC2(C1)CN(C(=O)[C@@H](C)C#N)C2 965739727 LGYYCHNGRYSFJE-WCBMZHEXSA-N 319.321 -0.363 30 20 DBED C=C[C@](C)(CC)C(=O)N1C[C@H](O)[C@H](NC(=O)Cc2nc[nH]n2)C1 970788844 MAWCYOFKQZRSTK-JRPNMDOOSA-N 321.381 -0.363 30 20 DBED C#CCN(C)[C@H]1CCN(C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 971526006 SLZGYOINRNAVIX-OLZOCXBDSA-N 315.377 -0.072 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)COc3cnn(C)c3)C2)C1 972524623 UJMGZXGHDLYQLB-INIZCTEOSA-N 318.377 -0.265 30 20 DBED CO[C@H]1C[C@H](C(=O)N[C@H]2CN(CC#N)CC2(C)C)N(C(C)=O)C1 974888443 VTSUVHDYTSOWOT-MJBXVCDLSA-N 322.409 -0.028 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@@H]3CN(C(=O)C(N)=O)[C@@H]3C2)c1 974945039 DQLOXBGFYSHKMS-MWLCHTKSSA-N 301.306 -0.955 30 20 DBED CN1CC[C@@H](C(=O)N2CC(NC(=O)c3cc(C#N)c[nH]3)C2)C1 990704460 UJSTVSBPDUPBOK-LLVKDONJSA-N 301.350 -0.221 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC(NC(=O)c2cncnc2)C1 990970903 QOPYQCGQCDVXPK-AWEZNQCLSA-N 313.361 -0.485 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](NCCN2C(=O)CNC2=O)C(C)(C)C1 995566963 VHFWDNWFTHRSBZ-WDEREUQCSA-N 321.381 -0.476 30 20 DBED C=CCNC1CCN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)CC1 997099491 ACOANRAUURVRST-UHFFFAOYSA-N 316.365 -0.162 30 20 DBED C[C@H](C#N)C(=O)N1CC(NC(=O)[C@@H]2CCCc3nn[nH]c32)C1 998566385 BUWJVNRNIGHZQK-PSASIEDQSA-N 302.338 -0.289 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](NC(=O)Cn2cncn2)C(C)(C)C1 1008613680 FJABMWOTTALRCY-GHMZBOCLSA-N 304.354 -0.209 30 20 DBED C#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1 1017939329 NAFOZIDJKHLVMA-LJISPDSOSA-N 319.405 -0.069 30 20 DBED C=CCN1CC[C@@H](N[C@H]2C[C@@H](NC(=O)Cn3nccn3)C2)C1=O 1022141397 SKECEFPVVXSRQD-FRRDWIJNSA-N 318.381 -0.698 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)CC3OCCCO3)C2)C1=O 1030248834 HKFZPUJQTPQKJS-ZDUSSCGKSA-N 323.393 -0.273 30 20 DBED C=CCn1cc(C(=O)NCC2CN([C@@H](C)C(=O)NC)C2)nn1 1032034817 FXHKYPWWLUCCDA-JTQLQIEISA-N 306.370 -0.740 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2[C@H](C)C(=O)NC 1032453542 FBPSZJDWFCPNDH-QPSCCSFWSA-N 318.421 -0.496 30 20 DBED CN(C(=O)c1cn([C@H]2CCOC2)nn1)[C@@H]1CCN(CC#N)C1 1033565372 FROFZKUSEZGQAY-NEPJUHHUSA-N 304.354 -0.091 30 20 DBED C#CCCN1CCCC[C@H](NC(=O)c2cn(CC(N)=O)nn2)C1 1034544936 VNVPHCORIVJDPL-LBPRGKRZSA-N 318.381 -0.629 30 20 DBED CN1C(=O)CN(CC(=O)N[C@H]2CC[C@H](NCC#N)CC2)C1=O 1034778720 MWUYMXIRWCXIIN-XYPYZODXSA-N 307.354 -0.579 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H]1CN[C@H]1CCNC1=O 1034962304 IBTMHKPIHCRIRR-ILXRZTDVSA-N 318.421 -0.447 30 20 DBED C#CCN[C@@H]1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)C[C@@H]1C 1036215803 BBRWHNLJDXUXOP-QWHCGFSZSA-N 318.377 -0.614 30 20 DBED C#CCOc1ncccc1C(=O)NC[C@H]1CCN1CC(N)=O 1038927949 FLINOZYFMOBAOS-LLVKDONJSA-N 302.334 -0.617 30 20 DBED C=CCO[C@H](C)C(=O)N1CC[C@](O)(CNC(=O)c2ncc[nH]2)C1 1039662022 KBLYERSKHVPQLI-ABAIWWIYSA-N 322.365 -0.306 30 20 DBED C=C1CC(C)(C(=O)NC[C@]2(O)CCN(C(=O)CNC(C)=O)C2)C1 1040850229 JSHWVOULCGEFEI-MRXNPFEDSA-N 323.393 -0.442 30 20 DBED N#CCN1CC[C@]2(CCN(C(=O)[C@@H]3CCS(=O)(=O)C3)C2)C1 1041450284 CMBRLJGERWZURT-OCCSQVGLSA-N 311.407 -0.131 30 20 DBED C#CCCCCC(=O)N1CC(O)(CNC(=O)Cn2cccn2)C1 1041466257 LDSJQJHJDFNRQS-UHFFFAOYSA-N 318.377 -0.234 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)c2cc(C)[nH]n2)C1 1041735937 UHUMSGDJWQTRJI-UHFFFAOYSA-N 320.349 -0.939 30 20 DBED C#CCCN1CC[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)C[C@H]21 1042345729 NBIHKBJNBIZQDK-CHWSQXEVSA-N 318.377 -0.516 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)[C@H]2CCCN2C)C1 1042936127 ANNNQCIWJGRMNV-CYBMUJFWSA-N 307.394 -0.571 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)Cn2ccnc2C)C1 1043128531 XZNLWVTWFHBPAS-UHFFFAOYSA-N 306.366 -0.153 30 20 DBED C=CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)C2=COCCC2)C1 1043570354 HEFXQYUWHZEMEE-GFCCVEGCSA-N 324.377 -0.039 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)CCC=C)C1 1043650205 RGKHORVAKYDLGG-AWEZNQCLSA-N 319.405 -0.260 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)C2(C)CCOCC2)C1 1043890159 ANHLUXILRGBVFN-NSHDSACASA-N 309.366 -0.348 30 20 DBED C#CCCCCC(=O)N1CC(O)(CNC(=O)[C@@H](C)CC(N)=O)C1 1044436343 SSSFLKNJRNDVML-LBPRGKRZSA-N 323.393 -0.619 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)[C@@H]2CCCN2C)C1 1044484053 GSXKDCDMNSHXKT-LBPRGKRZSA-N 309.410 -0.018 30 20 DBED Cc1cc(O)ncc1C(=O)N1CC(O)(CNC(=O)[C@@H](C)C#N)C1 1045551835 MZAGJEBQYVTWIB-JTQLQIEISA-N 318.333 -0.442 30 20 DBED CC(C)c1cc(C(=O)N2CC(O)(CNC(=O)[C@@H](C)C#N)C2)n[nH]1 1045554677 HJHLDPAEUXFKHE-JTQLQIEISA-N 319.365 -0.004 30 20 DBED C=CCN1CC[C@@H](N2CCN(C(=O)[C@@H]3COC(=O)N3)CC2)C1 1046027427 MBYPEBRTMOKSCZ-OLZOCXBDSA-N 308.382 -0.501 30 20 DBED C#CCCN1CC[C@@H](N2CCN(C(=O)Cn3nccn3)CC2)C1 1046034854 XAUIZFZNYXVSEF-OAHLLOKOSA-N 316.409 -0.480 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)[C@H]2CN(C)C[C@H]2C)C1 1046684991 OEMDPJLQJCNCEA-KGLIPLIRSA-N 321.421 -0.323 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3n2CCOC3)C1 1047416086 SLVYLBLVFIZAAQ-KBPBESRZSA-N 318.377 -0.446 30 20 DBED COc1ccnc(OC)c1C(=O)N(C)[C@H]1CN(CC#N)C[C@@H]1O 1047453531 KFMQWVSRIVGFKR-QWRGUYRKSA-N 320.349 -0.261 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cn2cccn2)C1 1048230833 BSTRALSLTXFGPE-STQMWFEESA-N 322.365 -0.884 30 20 DBED CCOCCC(=O)N(C)[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 1048535050 HDCYMWQZIAAXDH-KBPBESRZSA-N 308.378 -0.144 30 20 DBED C=CCO[C@@H](C)C(=O)N(C)[C@H]1CN(C(=O)CCOC)C[C@@H]1O 1049010926 JSPHHBMVNRDMOV-AVGNSLFASA-N 314.382 -0.356 30 20 DBED C=CCCN1C[C@H]2CN(C(=O)[C@@H]3CCS(=O)(=O)N3)C[C@H]2C1 1049220032 HHGNVGQNUUYZOA-XQQFMLRXSA-N 313.423 -0.356 30 20 DBED CC(C)OCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)C#N)C1 1049387908 CTUMRNPMUFPSFS-AVGNSLFASA-N 311.382 -0.009 30 20 DBED C=CCOCC(=O)N[C@@H](C)[C@H]1CCN(C(=O)c2ncn(C)n2)C1 1050619465 NYUYJIMDORQFAO-RYUDHWBXSA-N 321.381 -0.016 30 20 DBED CN(C)C(=O)CN1CCOC[C@H]1CNC(=O)c1c[nH]c(C#N)c1 1050880685 WONIAYCXUGDHJH-CYBMUJFWSA-N 319.365 -0.595 30 20 DBED N#CCN1CCOC[C@@H]1CNC(=O)c1cncc2nc[nH]c12 1050928163 AWDNYIIEFLJMEV-JTQLQIEISA-N 300.322 -0.088 30 20 DBED CC#CCN1CCOC[C@@H]1CNC(=O)[C@@H]1CCCCN1C(N)=O 1051200681 BMDQUMZNHIPQGP-KBPBESRZSA-N 322.409 -0.240 30 20 DBED C#CCCN1CCOC[C@@H]1CNC(=O)[C@H]1CCc2nncn2C1 1051254051 DHMXDGYYADNKKJ-KBPBESRZSA-N 317.393 -0.319 30 20 DBED C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1CNC(=O)CC(N)=O 1052044140 HLMCCQYWPBXLAI-NXEZZACHSA-N 312.395 -0.671 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)c1cnn(C)c1N)CCO2 1053228535 NCADMRWCPNENHX-UHFFFAOYSA-N 303.366 -0.448 30 20 DBED C=CCN1CC2(CC[C@@H](CNC(=O)[C@@H]3CN(C)CCO3)O2)C1 1053584955 AJCUIWQMJDNOPH-KBPBESRZSA-N 309.410 -0.147 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@](CO)(NC(=O)CC(C)(C)O)C1 1055915230 VHHOZXQEDUQYJA-IAQYHMDHSA-N 311.382 -0.223 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCN(CCO)C(=O)COC 1056791064 KPDVYNZLZQBEHX-JSGCOSHPSA-N 314.382 -0.449 30 20 DBED C#CCOCCC(=O)NCCN(CCO)C(=O)c1ccon1 1057095044 OJRSBYCGHUSUPZ-UHFFFAOYSA-N 309.322 -0.735 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)COCCOC 1057171121 OOQDSQYTYNIIQI-UHFFFAOYSA-N 302.371 -0.447 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)c1cncnc1O 1057444474 LQQVDIDABCHVBL-UHFFFAOYSA-N 320.349 -0.464 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)C[C@H]1COC(=O)C1 1057517617 YSYBTHVVAGTDCT-CYBMUJFWSA-N 324.377 -0.464 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)CCOCC1CC1 1057587597 IPOUNDYYTSJYNF-LBPRGKRZSA-N 311.382 -0.100 30 20 DBED CC[C@@H]1OCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N 1058338278 DSTXPWOMYXCJJZ-XQQFMLRXSA-N 311.382 -0.102 30 20 DBED CC#CCCCC(=O)N(CCO)CCNC(=O)C1(C(N)=O)CC1 1058442503 GTZHCWSHNLRVNC-UHFFFAOYSA-N 323.393 -0.617 30 20 DBED C#CCCCC(=O)NC[C@@H]1COCCN1C(=O)[C@@H](C)NC(C)=O 1061537060 XSOCDUWDPAWGNM-TZMCWYRMSA-N 323.393 -0.342 30 20 DBED N#CCSCC(=O)N1CCOC[C@H]1CNC(=O)c1ncc[nH]1 1061557682 ATBBIPRQJBFITI-SNVBAGLBSA-N 323.378 -0.376 30 20 DBED CC(C)C#CC(=O)NC[C@H]1COCCN1C(=O)c1cn(C)nn1 1061566902 XIUVUPTTWRNBSO-LBPRGKRZSA-N 319.365 -0.568 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)Cc1ccn(C)n1 1061576305 JYMMOBBRAAYIBX-WCQYABFASA-N 319.365 -0.534 30 20 DBED Cc1ncc(C(=O)N2CCOC[C@H]2CNC(=O)[C@H](C)C#N)n1C 1061851342 NCIJBNPMOVXZMX-ZYHUDNBSSA-N 319.365 -0.155 30 20 DBED Cc1nc(O)[nH]c1C(=O)N1CCOC[C@@H]1CNC(=O)[C@H](C)C#N 1061853636 TWPBRTRABJDZQF-SCZZXKLOSA-N 321.337 -0.459 30 20 DBED N#Cc1ccc(N2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CCNC2=O)nc1 1062556231 WTJYOMKZQUKZRB-AVGNSLFASA-N 311.345 -0.121 30 20 DBED C=CCCC(=O)NCC1(NC(=O)[C@@H]2CC(=O)NC(=O)N2)CCC1 1062686410 LFLXATLDYYZYRG-JTQLQIEISA-N 322.365 -0.294 30 20 DBED CN(C(=O)[C@H]1CCC(=O)N1)[C@@H]1CCN(c2ccc(C#N)nn2)C1 1062898978 CXJBEUPDVZYUQH-VXGBXAGGSA-N 314.349 -0.336 30 20 DBED CN(C(=O)c1nnn(C)n1)[C@@H]1CCN(c2ccc(C#N)nn2)C1 1063012397 DYRQEJMDEVKEQS-SNVBAGLBSA-N 313.325 -0.777 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(NC(=O)CC(=O)N(C)C)CCC1 1063043861 VMTTWWPJRJQAEK-GFCCVEGCSA-N 323.393 -0.342 30 20 DBED C=C(C)[C@@H](CC(=O)NCC1(NC(=O)C(N)=O)CCC1)OCC 1063274736 UEHFONIPXWDNSS-LLVKDONJSA-N 311.382 -0.002 30 20 DBED C#Cc1cncc(C(=O)NCC2(NC(=O)C(N)=O)CCC2)c1 1064462955 JUUJJJQWIWBSHC-UHFFFAOYSA-N 300.318 -0.683 30 20 DBED N#Cc1ccc(N2C[C@H]3CC[C@H]2CN3C(=O)Cn2ncnn2)cn1 1068051440 JPPCDLLPFBPBPP-UONOGXRCSA-N 324.348 -0.180 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1COC2(C1)CN(C(=O)CCCC(N)=O)C2 1069007521 GRKZLGDDRGHIFL-WDEREUQCSA-N 322.365 -0.712 30 20 DBED C=CCN[C@@H]1CN(C(=O)[C@@H]2CN(C)CCO2)C[C@@H]1n1ccnn1 1070165242 KEECOEDFVBNCOV-RDBSUJKOSA-N 320.397 -0.864 30 20 DBED C=CCOCC(=O)N1CCC[C@@H](NC(=O)CS(C)(=O)=O)C1 1070553349 KVIXLRBYKYFEKA-LLVKDONJSA-N 318.395 -0.659 30 20 DBED C=CCO[C@H](C)C(=O)N1CCC[C@@H](NC(=O)Cn2ncnn2)C1 1070903709 IGRCEFPAHRYWAS-VXGBXAGGSA-N 322.369 -0.629 30 20 DBED C[C@@H]1CN(C(=O)c2cnn(C)c2N)C[C@]2(CCN(CC#N)C2)O1 1071158734 ALQQOQFTCPEHDL-IAQYHMDHSA-N 318.381 -0.169 30 20 DBED N#CCN1CCN([C@@H]2CCCN(C(=O)c3cn[nH]c3)C2)C(=O)C1 1071254276 YLNPPSHTKCJZEP-CYBMUJFWSA-N 316.365 -0.318 30 20 DBED C#CCOCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)Cc2cnc[nH]2)C1 1072096781 DPUXDFSSHZIEDG-OCCSQVGLSA-N 318.377 -0.045 30 20 DBED C[C@@H]1CN(C(=O)COCCN(C)C)C[C@@H]1NC(=O)C#CC1CC1 1072433428 WEJXPGBEESNEEL-HIFRSBDPSA-N 321.421 -0.059 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)c2cc(OC)ncn2)C1 1073605494 LZASSJSGCBGRSL-LBPRGKRZSA-N 304.350 -0.061 30 20 DBED C=CCN1CCO[C@@H]2CCN(C(=O)c3cc(=O)n(C)cn3)C[C@H]21 1074269785 YSKXPMNCOCIFLZ-ZIAGYGMSSA-N 318.377 -0.118 30 20 DBED C=CCn1cc(C(=O)NCC2(O)CCN(C(C)=O)CC2)nn1 1074386423 IBXYISAIZNWDEY-UHFFFAOYSA-N 307.354 -0.433 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)c3c[nH]c(C(N)=O)c3)C[C@@H]21 1074405991 ZBRBEXBFQNMCJI-UONOGXRCSA-N 316.361 -0.338 30 20 DBED C#CCN[C@H]1CCN(C(=O)C2CC3(C2)NC(=O)NC3=O)[C@H]1C 1074962363 PLIZXHXIGIHCAN-PAPNWUEJSA-N 304.350 -0.813 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)[C@H]1CC12CC2 1076219843 DOGDQSPLQSKSJK-NWDGAFQWSA-N 305.378 -0.063 30 20 DBED C=C[C@](C)(O)CC(=O)NCC[C@H](C)NC(=O)CS(C)(=O)=O 1076300983 ZUTVNZRGBCHDAS-GWCFXTLKSA-N 320.411 -0.631 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCCN2C(=O)CC)C1 1077045111 WOUHOJGWCOGPOX-RBSFLKMASA-N 321.421 -0.038 30 20 DBED COc1cccc(OC)c1CC(=O)N[C@@H]1CN(CC#N)C[C@H]1O 1077317137 CCFRKRUWEIROAR-CHWSQXEVSA-N 319.361 -0.069 30 20 DBED C[C@@H](CCNC(=O)CCN1C(=O)CCC1=O)NC(=O)[C@H](C)C#N 1077340057 MTQJXNOANHYKJV-MNOVXSKESA-N 322.365 -0.304 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCN(CC(F)(F)F)C2)C1 1077574230 KGEAJHWCMFWHTE-HBNTYKKESA-N 320.315 -0.445 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)[C@]2(C)CCCS2(=O)=O)C1 1077824165 PBZHARGQYFKBII-BZPMIXESSA-N 316.423 -0.309 30 20 DBED CC(C)OCC(=O)NC[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 1081321626 PBLVGKXPQIIDLR-KBPBESRZSA-N 308.378 -0.240 30 20 DBED CCN(C)CCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C#CC2CC2)C1 1081471418 NCGYIFZYKFMNNZ-LSDHHAIUSA-N 321.421 -0.323 30 20 DBED C=C(C)CCC(=O)NC[C@@H]1CN(C(=O)c2cnon2)C[C@@H]1O 1081530781 KFCWLROYPVXHMQ-PWSUYJOCSA-N 308.338 -0.025 30 20 DBED CC#CCN1C[C@@H](NC(=O)[C@@H]2CN(C(C)=O)CCO2)[C@H](OC)C1 1082351177 GXZDJZHIJJRLKG-KFWWJZLASA-N 323.393 -0.928 30 20 DBED C=CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CC(=O)N(CC)C1 1083098929 MKHIIMGHTHSSMX-MELADBBJSA-N 307.394 -0.048 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)c2nnn(C(C)(C)C)n2)C1 1083478186 YYJKVQYIQJXSQB-MNOVXSKESA-N 306.370 -0.774 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCCS2(=O)=O)C1 1084076423 LAPSZPHHYDJFKG-GRYCIOLGSA-N 302.396 -0.699 30 20 DBED Cc1cn2nc(C(=O)NC[C@H]3C[C@@H](NCC#N)C3)cc2c(=O)[nH]1 1086159197 MMGVCRCITAZBSU-PHIMTYICSA-N 314.349 -0.047 30 20 DBED C#CCN1CC[C@H](NC(=O)[C@@H]2Cc3cncn3C(=O)N2)[C@H]1C 1088763724 WQEGEAXMOMWKMF-WXHSDQCUSA-N 301.350 -0.422 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(c2cc(C)nc(CO)n2)C[C@H]1O 1090418034 JQTWKQSZVZDNPA-CHWSQXEVSA-N 318.377 -0.253 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)c2ccc3nnnn3c2)[C@H](O)C1 1090430092 IVTGRRWCIVMMBH-QWHCGFSZSA-N 316.365 -0.135 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2ccc3nnnn3c2)[C@@H](O)C1 1090431358 WSYUWKHYINJMSE-OLZOCXBDSA-N 314.349 -0.687 30 20 DBED COc1cccnc1CC(=O)N[C@H]1CCN(CC#N)C[C@@H]1O 1090519976 MVBDKHDIYWCUTM-AAEUAGOBSA-N 304.350 -0.292 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cnc(OCC)cn2)[C@H](O)C1 1090856202 YEHGWMHTMYVNSB-WCQYABFASA-N 304.350 -0.327 30 20 DBED COC[C@@H](C)C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1OC 1090868346 QAEPLURQOYRTMJ-IJLUTSLNSA-N 319.365 -0.049 30 20 DBED CC[C@H](C(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@@H]1O)N(C)C 1091123161 NBSIPSUWWRACJJ-KFWWJZLASA-N 317.393 -0.041 30 20 DBED CC(=O)N(C)CC(=O)N[C@H]1CCN(c2cncc(C#N)n2)[C@@H]1C 1091933698 PQMIUUNGCCYPSB-MFKMUULPSA-N 316.365 -0.090 30 20 DBED C=CCCC(=O)N[C@H]1CCN(c2nccn3nnnc23)C[C@@H]1O 1092154298 ULUUWHJUXBOPOR-QWRGUYRKSA-N 317.353 -0.459 30 20 DBED CN1CCO[C@H](C(=O)N2CCC(OC3CN(CC#N)C3)CC2)C1 1093521564 RGFXMSJHKVXSSJ-HNNXBMFYSA-N 322.409 -0.468 30 20 DBED CCc1nc(C#N)cc(NCCNC(=O)[C@H]2CCC(=O)N2)n1 1093530913 WAJWAKSYPMMHGU-SNVBAGLBSA-N 302.338 -0.283 30 20 DBED C#CCN1CC(n2cc(CNC(=O)c3n[nH]cc3F)nn2)C1 1094316285 IOTCDMRMMIILHF-UHFFFAOYSA-N 303.301 -0.440 30 20 DBED N#Cc1nccnc1NCCCNC(=O)Cn1cnnc1O 1094373953 SITCYKGVHQGIJH-UHFFFAOYSA-N 302.298 -0.736 30 20 DBED N#CCN1CCN(C(=O)[C@H]2CC2(F)F)[C@@H]2CS(=O)(=O)C[C@@H]21 1094630783 CHBCGGWYPMUWHP-KXUCPTDWSA-N 319.333 -0.525 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)c3cnnc(C)c3)CC2=O)C1 1094730293 WXFGCRVAOPOMSN-CYBMUJFWSA-N 315.377 -0.014 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)[C@@H]3CCCNC3=O)CC2=O)C1 1094747410 ROHXBWNBQXVTSA-WCQYABFASA-N 320.393 -0.900 30 20 DBED N#Cc1c[nH]ccc1=NCCCNC(=O)c1nnc(O)nc1O 1094887924 HOOJZNNNFYIBDD-UHFFFAOYSA-N 315.293 -0.797 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](N(C)c2ncccn2)C1 1095111698 ZAXOPXHWBATVCK-LBPRGKRZSA-N 301.350 -0.347 30 20 DBED N#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H]1CCc2nnnn2CC1 1096040264 APGHVHUBJZGNKV-RNJOBUHISA-N 315.381 -0.129 30 20 DBED C[C@@H](CNC(=O)c1ccc(=O)n(C)n1)Nc1ccc(C#N)nn1 1097850798 FKHFZYPGRGJPKC-VIFPVBQESA-N 313.321 -0.328 30 20 DBED CC(=O)NCC(=O)N[C@H]1CCC[C@H](N=c2cc[nH]c(C#N)n2)C1 1098586016 YZDXGNJTYINBAF-RYUDHWBXSA-N 316.365 -0.254 30 20 DBED C#CCNCc1cn([C@@H]2CCN(C(=O)c3ccn(C)n3)C2)nn1 1098779050 DFGPBKBKMOJWDO-CYBMUJFWSA-N 313.365 -0.178 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)C=C2CCC2)[C@H](O)C1 1099764113 PYBIQVAKWRMAGX-ZIAGYGMSSA-N 307.394 -0.050 30 20 DBED Cn1nccc1CN1CC[C@@H](NC(=O)C#CC2CC2)[C@@H](O)C1 1099823936 MHVUODSANDEQTP-CABCVRRESA-N 302.378 -0.115 30 20 DBED CCNC(=O)CN1CC[C@@H](NC(=O)C#CC(C)(C)C)[C@H](O)C1 1099829396 FAVVXUREKWWVEH-CHWSQXEVSA-N 309.410 -0.277 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)CCCC2CC2)[C@@H](O)C1 1099967695 RTBVVOGRUORCOT-CABCVRRESA-N 321.421 -0.133 30 20 DBED CNC(=O)CCCC(=O)NCCN(C)c1cnc(C#N)cn1 1100038502 BMJCINPVFKFUKX-UHFFFAOYSA-N 304.354 -0.183 30 20 DBED Cc1nnc(CC(=O)NCC2CC(NCC(=O)NCC#N)C2)o1 1100302635 MHFPFZGHHZPCMS-UHFFFAOYSA-N 320.353 -0.955 30 20 DBED C#CCOCCC(=O)NCC1CC(N[C@H](C)C(=O)NC(N)=O)C1 1100323790 LIBHGRFGHQHGEF-VOMCLLRMSA-N 324.381 -0.906 30 20 DBED CN(C)C(=O)CC(=O)NC[C@@H]1CCN(c2cnc(C#N)cn2)C1 1101060754 JJBBOZFPMMCMPB-NSHDSACASA-N 316.365 -0.231 30 20 DBED CNC(=O)NCC(=O)NC[C@@H]1CCN(c2nccnc2C#N)C1 1101065754 DAZUOSVZFGTCTE-JTQLQIEISA-N 317.353 -0.780 30 20 DBED CN(CCNc1cnc(C#N)cn1)C(=O)[C@@H]1CCNC(=O)C1 1101548295 LCQFBNPSIZWKMR-SNVBAGLBSA-N 302.338 -0.255 30 20 DBED CC#CCN1C[C@@H](C)[C@H](CNC(=O)CN2CCC(=O)NC2=O)C1 1102499684 SSDPZFKVPLXPCJ-CHWSQXEVSA-N 320.393 -0.364 30 20 DBED N#Cc1cnc(N2C[C@@H]3C[C@H]2CN3C(=O)CCNC(N)=O)cn1 1102551594 SPWLPRYRZRNALY-QWRGUYRKSA-N 315.337 -0.804 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H](C)[C@H](CCNC(=O)C(N)=O)C1 1103391355 BEFOEUNKLQQABR-GRYCIOLGSA-N 310.398 -0.763 30 20 DBED C[C@@H](CNC(=O)C[C@@H](C)NC(N)=O)CNc1cnc(C#N)cn1 1104100170 ZHGCMHUAQFPPOT-NXEZZACHSA-N 319.369 -0.041 30 20 DBED C[C@H](CNc1ccc(C#N)nn1)N(C)C(=O)Cn1cnnc1O 1104528085 TUQMWNOMHINLTC-SECBINFHSA-N 316.325 -0.396 30 20 DBED C[C@@H]1CN(C(=O)CN2C(=O)CCC2=O)C[C@H]1CCNCC#N 1104991318 GPYWCXHXVLYEFH-VXGBXAGGSA-N 306.366 -0.267 30 20 DBED C=CCNCC[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)N2)C[C@H]1C 1105023359 WBMJHFNAUVAXPR-UPJWGTAASA-N 315.439 -0.062 30 20 DBED CO[C@H](C)CNCc1cn(C2CN(C(=O)[C@@H](C)C#N)C2)nn1 1105190381 VKHXFJHOFWXJKJ-WDEREUQCSA-N 306.370 -0.054 30 20 DBED CNC(=O)C1(C(=O)N(C)CCN(C)c2cncc(C#N)n2)CC1 1105431833 YQGYSXCQPPBFRQ-UHFFFAOYSA-N 316.365 -0.231 30 20 DBED N#Cc1cnc(NC[C@@H](O)CNC(=O)C2CCC(O)CC2)cn1 1105803494 DUCGYOKOCJCLID-KGPNIALWSA-N 319.365 -0.212 30 20 DBED CC[C@@H](C(=O)NC[C@@H](O)CNc1nc(C)cc(C#N)n1)N(C)C 1105926341 SQJCJGGCMVLKRS-OLZOCXBDSA-N 320.397 -0.114 30 20 DBED Cn1nnc(C(=O)NC[C@H](O)CNc2cccc(F)c2C#N)n1 1106054990 LOTAWHNGRYZHLI-MRVPVSSYSA-N 319.300 -0.576 30 20 DBED Cc1cnn(C)c1C(=O)NC[C@H](O)CNc1nccnc1C#N 1106059243 FLWCWWDZXJTBHI-SNVBAGLBSA-N 315.337 -0.407 30 20 DBED CCC(=O)N[C@H](C)C(=O)NC[C@H](O)CNc1ncccc1C#N 1106140500 KQZQGQMLSWIJCM-ZYHUDNBSSA-N 319.365 -0.243 30 20 DBED C[C@H](CCNc1cncc(C#N)n1)NC(=O)[C@@H]1CCC(=O)N1 1106393532 RIMBVWLBAPTFDR-KOLCDFICSA-N 302.338 -0.066 30 20 DBED CN1CCO[C@H](C(=O)NC/C=C/CNc2cncc(C#N)n2)C1 1107094349 ZSLYIQDLDJSEOP-IBUXWKBASA-N 316.365 -0.237 30 20 DBED N#Cc1c[nH]ccc1=NC/C=C/CNC(=O)C(=O)NCC1CC1 1107309034 FATSZRKXFMMRIC-OWOJBTEDSA-N 313.361 -0.014 30 20 DBED CN1C[C@H](C(=O)NC/C=C\CNc2cncc(C#N)n2)CC1=O 1107568888 QZJRGYAAJMFFQN-OTDNITJGSA-N 314.349 -0.089 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)CO[C@H]1CCOC1 1107950332 GAJOBZXAERIMBE-MNOVXSKESA-N 305.338 -0.508 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1 1107951148 HYTNURDWRQHOJR-IOASZLSFSA-N 307.394 -0.259 30 20 DBED Cc1cc(=NC[C@H](C)NC(=O)Cn2cnnn2)c(C#N)c[nH]1 1108247711 ZMPRTRYTJXDPAA-JTQLQIEISA-N 300.326 -0.713 30 20 DBED CC(C)(C(=O)NC[C@]1(C)CN(CC#N)CCO1)S(C)(=O)=O 1108255811 MMUQBUSFFITKDB-CYBMUJFWSA-N 317.411 -0.460 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)[C@@H]1CCCS1(=O)=O 1108405721 OVWGCRZDUHUOLZ-UWVGGRQHSA-N 323.378 -0.736 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)CSCC#N)CC2=O)C1 1108510839 GIGZNUAGPLHQST-LLVKDONJSA-N 308.407 -0.170 30 20 DBED C[C@@H](CN(C)c1cnc(C#N)cn1)NC(=O)[C@H]1COCCO1 1108828870 BUBRSUHXYOLPSY-CMPLNLGQSA-N 305.338 -0.295 30 20 DBED C[C@@H](CN(C)c1ccncc1C#N)NC(=O)CS(C)(=O)=O 1108837654 ZNIKUZUCZBUXCH-JTQLQIEISA-N 310.379 -0.061 30 20 DBED C[C@@H](CN(C)c1ncccc1C#N)NC(=O)Cn1cnnc1O 1108944540 DTIMRNLGAZGOEA-JTQLQIEISA-N 315.337 -0.109 30 20 DBED CCNC(=O)CC(=O)N[C@@H](C)CN(C)c1cnc(C#N)cn1 1108945986 ZNEIDODWBQUDST-JTQLQIEISA-N 304.354 -0.185 30 20 DBED C[C@@H](CN(C)c1nccnc1C#N)NC(=O)[C@@H]1CCC(=O)N1 1109027135 GWZJBXCBVHOXJP-UWVGGRQHSA-N 302.338 -0.432 30 20 DBED C[C@@H](CN(C)c1ccc(C#N)nn1)NC(=O)CCn1cnnn1 1109053974 PSNUNXIILMSRAI-JTQLQIEISA-N 315.341 -0.634 30 20 DBED CN(CCCN=c1cc[nH]c(C#N)n1)C(=O)[C@@H]1COC(=O)N1 1109424780 ULONFBOBUGUHTO-VIFPVBQESA-N 304.310 -0.861 30 20 DBED C#CCO[C@H](C)C(=O)N(C)CCCNc1ccc2nnnn2n1 1109529739 ZZNPGZMKPZMNFU-LLVKDONJSA-N 317.353 -0.182 30 20 DBED N#Cc1cnccc1N1C[C@H]2C[C@H]1[C@@H]2NC(=O)C1(C(N)=O)CC1 1109740094 KXXDGXLUAJLORJ-JIMOISOXSA-N 311.345 -0.088 30 20 DBED C[C@]1(NC(=O)CS(C)(=O)=O)CCN(c2cncc(C#N)n2)C1 1110718250 CVRJIHNXDQDZSI-ZDUSSCGKSA-N 323.378 -0.522 30 20 DBED Cc1cc(N2C[C@H](O)[C@@H](N(C)C(=O)CC(N)=O)C2)c(C#N)cn1 1111173637 YXVBITFYQRNWFA-STQMWFEESA-N 317.349 -0.855 30 20 DBED CS[C@@H](C)C(=O)N(CCO)CCN=c1cc[nH]c(C#N)n1 1111426999 STPWHZWMKDSSEE-JTQLQIEISA-N 309.395 -0.246 30 20 DBED CC(C)N(C)CC(=O)N(CCO)CCNc1cncc(C#N)n1 1111480622 ASFXNKOAUSCQBJ-UHFFFAOYSA-N 320.397 -0.079 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NC(N)=O 1111488711 SJKYTARENGGDMA-KKOKHZNYSA-N 324.381 -0.506 30 20 DBED COC[C@H](OC)C(=O)N(CCO)CCNc1nccnc1C#N 1111555740 AUMCLECXZVTETJ-LBPRGKRZSA-N 323.353 -0.758 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(c2nccnc2C#N)C[C@@H]1O 1112701277 FUPWAKFHPRGBJS-AAEUAGOBSA-N 317.349 -0.536 30 20 DBED C#CCOCCC(=O)NC[C@H]1CN(c2ncc(F)cn2)C[C@H]1O 1112738794 RSJPIIHVIJDNRX-WCQYABFASA-N 322.340 -0.431 30 20 DBED CC(=O)NCC(=O)NC1CC(CNc2cncc(C#N)n2)C1 1112812380 AFYUPYFOVUNPRG-UHFFFAOYSA-N 302.338 -0.209 30 20 DBED Cc1nn(C)cc1CC(=O)N1CCN(CC(=O)NCC#N)CC1 1112970029 OSYAUVFKMBHOJX-UHFFFAOYSA-N 318.381 -0.945 30 20 DBED Cc1cc(=N[C@H](C)[C@@H](C)NC(=O)Cn2ncnn2)c(C#N)c[nH]1 1113192818 BXXKVRPAWDWNLE-GHMZBOCLSA-N 314.353 -0.325 30 20 DBED Cc1occc1C(=O)NC1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]12 1113830834 CCKSPZGLPBIRDG-VXGBXAGGSA-N 302.334 -0.112 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)Cn3cc(C)cn3)[C@H]2C1 1113954592 ZNAXQLPZPKPSRT-STQMWFEESA-N 317.393 -0.460 30 20 DBED CC(=O)NCC(=O)NCC1[C@@H]2CN(c3ccncc3C#N)C[C@@H]12 1114502913 CMKJOHOAUVLQHM-KBPBESRZSA-N 313.361 -0.112 30 20 DBED COCC#CCN1C[C@@H]2C(NC(=O)Cn3cncc3C)[C@H]2C1 1114562454 HOLSTMYRUFLEEG-KBPBESRZSA-N 302.378 -0.112 30 20 DBED N#Cc1cnc(N2C[C@@H]3C(CNC(=O)C(N)=O)[C@H]3C2)c(Cl)c1 1114620712 VRLCCZHXMDWVEN-NXEZZACHSA-N 319.752 -0.110 30 20 DBED C=CCO[C@H](C)C(=O)NC1[C@@H]2CN(Cc3ncnn3C)C[C@@H]12 1115333174 UFWWKTURCWDUNZ-IJLUTSLNSA-N 305.382 -0.047 30 20 DBED C[C@H](NC(=O)C(=O)N1CCO[C@H](C#N)C1)C(C)(C)CN(C)C 1117440114 LTVWGEICHLBBGQ-NWDGAFQWSA-N 310.398 -0.170 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1Cn1nnnc1N1CCC(O)(CO)CC1 1120114392 IXLOVOHGBKSLAS-OLZOCXBDSA-N 323.397 -0.022 30 20 DBED C[C@@H](CN(C)C(=O)C[C@@H]1CCNC1=O)N=c1cc[nH]c(C#N)n1 1120192641 HFNYLIZJLXKHHY-QWRGUYRKSA-N 316.365 -0.445 30 20 DBED Cn1ccc(C(=O)NC[C@H](CO)Nc2cncc(C#N)n2)c1 1121295750 LOMXCEYKJOGNFY-GFCCVEGCSA-N 300.322 -0.110 30 20 DBED Cc1c(C(=O)NC[C@H](CO)Nc2ccc(C#N)nc2)nnn1C 1121405142 LIPRILJUGWEEAT-GFCCVEGCSA-N 315.337 -0.407 30 20 DBED N#Cc1cccnc1N[C@@H](CO)CNC(=O)CN1CCCC1 1121580563 JVEQLWDORBFYLB-CYBMUJFWSA-N 303.366 -0.062 30 20 DBED Cn1cncc1CC(=O)NC[C@H](CO)Nc1cnc(C#N)cn1 1121800365 OUKZLIZHPBLUCI-LLVKDONJSA-N 315.337 -0.787 30 20 DBED C[C@@H]1[C@@H](N=c2cc[nH]c(C#N)n2)CCN1C(=O)CC(=O)N(C)C 1123107305 AQPPNNCNXDZOQV-MNOVXSKESA-N 316.365 -0.350 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)c1cc(C)on1 1123186851 OEZUWKCKYLXBGV-UHFFFAOYSA-N 309.326 -0.686 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)[C@H]1CCCN1C 1124867395 VHSRAYFJXYFXLC-CQSZACIVSA-N 308.426 -0.013 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@H]1CCCc2c[nH]nc21 1127352731 YBKYGZFLUPGHKT-AAEUAGOBSA-N 317.393 -0.327 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cnc2n1[C@H](C)CCC2 1127791261 JHHLFDPABFNUKI-GFCCVEGCSA-N 317.393 -0.151 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)CCn1ccccc1=O 1128728612 SUMWILDKRLIGIZ-CYBMUJFWSA-N 318.377 -0.918 30 20 DBED CC#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)CC(=O)NCC)C1 1128929594 LRJRQQATGBOZFB-OLZOCXBDSA-N 318.381 -0.831 30 20 DBED N#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)CCn2ccnc2)C1 1129144673 QKNSGLGVSIJSOL-OLZOCXBDSA-N 314.353 -0.570 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)COCc1cc(C)on1 1130116797 PQVARCIXVWTBQJ-LBPRGKRZSA-N 322.365 -0.657 30 20 DBED C=CCO[C@H](C)C(=O)N1C[C@H](n2ccnn2)[C@H](NCCO)C1 1130151233 KHBIOKVLWPEEGB-UPJWGTAASA-N 309.370 -0.797 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1cc(CN(C)C)on1 1130653205 CIWOBYCVXOAHTO-UHFFFAOYSA-N 309.370 -0.642 30 20 DBED CCO[C@@H](CC)C(=O)N1CCC(=O)NCCN(CC#N)CC1 1131334415 RRXJGKAOMYYBEH-ZDUSSCGKSA-N 310.398 -0.024 30 20 DBED CC#CCCCC(=O)NCCNCCNS(=O)(=O)CC 1132593058 OUKBDYBUUSSGEM-UHFFFAOYSA-N 303.428 -0.175 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)c1cncnc1)NCC(=O)NCC#N 1134153273 XDQXBFFEZUXFES-WDEREUQCSA-N 304.354 -0.397 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CCc2nc[nH]c2C1 1146993520 BRIBJJQYPMKMTL-NEPJUHHUSA-N 319.409 -0.089 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC2(CCN(Cc3cnn(C)n3)C2)C1 1147530124 GTVPKURPEQRXHE-ZDUSSCGKSA-N 317.393 -0.112 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC2(CCN([C@@H]3CCN(C)C3=O)C2)C1 1147541377 OEOVECQXDDJQOR-UONOGXRCSA-N 319.405 -0.210 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)CNC(=O)[C@@H](C)CC)C1=O 1151366609 PAVXMBMESJADMT-STQMWFEESA-N 324.425 -0.359 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)CCn1cncn1 1151901345 ZCAUSUNJFMKCLI-CYBMUJFWSA-N 320.397 -0.756 30 20 DBED CC#CCN(CC)[C@H](C)CNC(=O)CN1CCN(C)C(=O)C1 1154083481 YBFIAQZRZFHOHC-CQSZACIVSA-N 308.426 -0.390 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)c1cncn1C 1154189407 BZMBCNSGCKRPPD-LLVKDONJSA-N 306.370 -0.500 30 20 DBED C#CCNC(=O)CC(=O)NCCCNC[C@H]1C[C@@]12CCOC2 1156853082 XRXXCZQENNWPOI-CZUORRHYSA-N 307.394 -0.352 30 20 DBED C#CCOCCC(=O)NCCCNCc1nc(N(C)C)no1 1157859394 JTFFGTXRHWBQRU-UHFFFAOYSA-N 309.370 -0.229 30 20 DBED C#CCO[C@H](C)C(=O)NCCCNC[C@H](C)CS(C)(=O)=O 1157880582 RUTMUGNLNBFBJL-QWHCGFSZSA-N 318.439 -0.199 30 20 DBED COCC1(CNC(=O)[C@]2(C)CNC(=O)C2)CCN(CC#N)CC1 1162373601 JXRSRXDDLCWELV-HNNXBMFYSA-N 322.409 -0.119 30 20 DBED N#CCNC(=O)CNCC1(CCNC(=O)C2CCOCC2)CC1 1163121345 ITOUBBDWEPNKSZ-UHFFFAOYSA-N 322.409 -0.071 30 20 DBED C#CCNC(=O)CNCC1(CCNC(=O)[C@@H]2CCCN2C)CC1 1163822355 ZWNIOMSKZIGDIW-AWEZNQCLSA-N 320.437 -0.294 30 20 DBED C#CCCNCCCNC(=O)[C@@H](NS(C)(=O)=O)C(C)C 1167848519 WEKRHUSPJJJTGX-LBPRGKRZSA-N 303.428 -0.321 30 20 DBED C=CCNCCCC[C@H](C)NC(=O)CNS(=O)(=O)NC 1171928957 AXVDNCCQQAZICW-NSHDSACASA-N 306.432 -0.509 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)c1[nH]cnc1CC 1174920174 YOIJVSCCTGJWLC-LLVKDONJSA-N 305.382 -0.181 30 20 DBED C#CCNC(=O)CNCCCC[C@@H](C)NC(=O)CCN(C)C 1175049892 ZCUWSANGVYZLHE-CQSZACIVSA-N 310.442 -0.048 30 20 DBED N#CCNC[C@@H]1C[C@H]2CC[C@H]1N(C(=O)C1CS(=O)(=O)C1)C2 1177762509 ZIQZRRFTTXXQGS-NTZNESFSSA-N 311.407 -0.229 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](NCc2cn(C)nn2)[C@@H]1C 1178508829 XZPBPPRBUAVYQF-AAEUAGOBSA-N 318.381 -0.966 30 20 DBED C=CCNC[C@@H]1CCN(C(=O)Cn2ncn(C)c2=O)C[C@H]1C 1184684322 ONNZXLJKLIVUDP-OLZOCXBDSA-N 307.398 -0.158 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@H]1CCN(C(=O)CNC(=O)CC)C1 1189428921 RKNBLBUJLCUVBE-OLZOCXBDSA-N 322.409 -0.817 30 20 DBED C=CCOCC(=O)N[C@@H]1CN([C@H](C)c2nc(C)no2)C[C@H]1O 1191756119 RRGSAOGWCVZSJM-YUSALJHKSA-N 310.354 -0.197 30 20 DBED CO[C@H](C(=O)N1CCCN(CC(=O)NCC#N)CC1)C1CC1 1195675709 YOVQPCNSFPNXQB-AWEZNQCLSA-N 308.382 -0.415 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)N2CCCC2=O)C1 1199421902 HEBCDZFSWJMGOM-NFAWXSAZSA-N 309.410 -0.019 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)c2cn(C)nn2)CCCO1 1200420650 VFBBCNDCOFFELF-CYBMUJFWSA-N 321.381 -0.714 30 20 DBED C#CCNC[C@H]1CN(C(=O)CCn2cnccc2=O)CCCO1 1201748195 DQGOSCAGYDTNPY-AWEZNQCLSA-N 318.377 -0.526 30 20 DBED CS(=O)(=O)NCCC(=O)N[C@@H]1C[C@@H](NCC#N)C12CCC2 1202993982 AZXZNWSHKREXMY-GHMZBOCLSA-N 314.411 -0.534 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)C23CCN(CC2)C3)CC1 1203349660 UUAWVBKXMCIGKR-UHFFFAOYSA-N 320.437 -0.035 30 20 DBED C=CCNC(=O)CNCC1CCN(C(=O)CC(=O)NCC)CC1 1205056274 JKPYCLWZONBWCE-UHFFFAOYSA-N 324.425 -0.357 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)c2cnnn2C)[C@H](C)C1 1206919212 LVGFQKWLIUXPOD-GRYCIOLGSA-N 318.381 -0.997 30 20 DBED N#CCNC(=O)CN[C@H]1CCCN(C(=O)Cc2cc[nH]n2)C1 1207731688 QDWNXKKIKDPWKF-LBPRGKRZSA-N 304.354 -0.827 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)c2cnn(C)c2N)C1 1207870058 PBQBPDGUAGAOBO-LLVKDONJSA-N 320.397 -0.501 30 20 DBED CC(C)C#CC(=O)N1CCC[C@@H](NCc2nc(=O)n(C)[nH]2)C1 1207996094 ZCFOFDBPTWYIBH-GFCCVEGCSA-N 305.382 -0.152 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)c2[nH]c(O)nc2C)C1 1208381414 RYJXTFONACFMAF-NSHDSACASA-N 321.381 -0.080 30 20 DBED COc1nc(C(=O)N2CCC[C@@H](NCC(=O)NCC#N)C2)co1 1208771216 XGWRSCZRLYEMLJ-SNVBAGLBSA-N 321.337 -0.483 30 20 DBED C=CCOCCN[C@@H]1CCCN(C(=O)CCn2cnnn2)C1 1210282770 JXENFESULGZSDV-CYBMUJFWSA-N 308.386 -0.154 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)C(C)(C)C2CC2)[C@H](OC)C1 1213312430 HPVZHEANHQABON-ZIAGYGMSSA-N 321.421 -0.013 30 20 DBED CC#CCN[C@@H]1CN(C(=O)CN(C)S(=O)(=O)CC)C[C@H]1C 1216153497 OXZBNQOOTGMCIK-CHWSQXEVSA-N 315.439 -0.272 30 20 DBED Cn1cnnc1CN1C[C@H](O)[C@H](NC(=O)C#CC(C)(C)C)C1 1219596534 ZLWGLLMRTGXOLZ-NEPJUHHUSA-N 305.382 -0.474 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(CCOCC)C[C@@H]1O 1219821775 XVFREYRSIGMXRM-ILXRZTDVSA-N 309.410 -0.718 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)CCCF)C1 1220164334 FLNHCQNLAZPAJT-TUAOUCFPSA-N 301.362 -0.412 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC[C@@H]2CN(C(=O)CNC(C)=O)[C@@H]2C1 1221238284 VLJWYTLHCDVVNL-MRVWCRGKSA-N 322.409 -0.654 30 20 DBED C#CCN1CCC(CNC(=O)C(C)(C)NS(C)(=O)=O)CC1 1224788486 RQSSBYNDESHHFO-UHFFFAOYSA-N 315.439 -0.224 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)[C@H](C)CCOC)CC1 1230305468 NTKWESGHABMLRO-CYBMUJFWSA-N 309.410 -0.011 30 20 DBED CN(C[C@H]1CCN1CC(=O)NCC#N)C(=O)C[C@](C)(O)C1CC1 1233794525 XQPSIZNDOADNOR-CJNGLKHVSA-N 322.409 -0.290 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)NCC1([S@](C)=O)CCC1 1261198472 MZKMPXZEEITJCS-NRFANRHFSA-N 308.403 -0.111 30 20 DBED C#CCC[C@H](O)CNC(=O)NCCCN1C(=O)NC(C)(C)C1=O 1263759397 AEZRJDIVISQYDL-NSHDSACASA-N 324.381 -0.220 30 20 DBED N#CCCNC(=O)CN1CCC(N2CCC[C@@H]2C(N)=O)CC1 1319771832 HDTXYQGRPOJATP-CYBMUJFWSA-N 307.398 -0.570 30 20 DBED C=C(Br)CNC(=O)C(=O)NCCC(=O)N(C)C 1321689580 NXWHDIZZOXYZHB-UHFFFAOYSA-N 306.160 -0.394 30 20 DBED Cc1cc(N2CCC(NC(=O)NCC(=O)NCC#N)CC2)n[nH]1 1322595496 YLWGZRSTKMLYGI-UHFFFAOYSA-N 319.369 -0.374 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N[C@@H](C)CO[C@@H]1CCOC1 1323413508 LOEPWDSOMAGNDA-UONOGXRCSA-N 306.362 -0.218 30 20 DBED N#CCCCNC(=O)C(=O)NCc1cccc(OCC(N)=O)c1 1323483867 NGKAIFKGOQELMA-UHFFFAOYSA-N 318.333 -0.413 30 20 DBED C=C(Br)CNC(=O)C(=O)NC[C@@H](COC)OC 1324424643 UZQNDUVPWAUZPK-QMMMGPOBSA-N 309.160 -0.211 30 20 DBED COC(=O)C(C)(C)NC(=O)C(=O)Nc1ccn(CCC#N)n1 1324877708 DMCTWIASPGQSBB-UHFFFAOYSA-N 307.310 -0.197 30 20 DBED COCCN(CCN(C)C)C(=O)C(=O)N1CC[C@@](F)(C#N)C1 1325707723 OKSMLCOODOODFD-CQSZACIVSA-N 314.361 -0.513 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CCO1 1326934216 NSGDRIHGMDLRSV-MCIONIFRSA-N 320.393 -0.130 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CC[C@@H]2OCC[C@@H]2C1)[C@@H]1CCCO1 1328303288 VYASWZRHYOJCNG-RFGFWPKPSA-N 306.362 -0.079 30 20 DBED C=CCN(C)C(=O)C(=O)N1CCN(S(=O)(=O)C2CC2)CC1 1328767303 PZXGCZZDLQXUTD-UHFFFAOYSA-N 315.395 -0.733 30 20 DBED C#CCNC(=O)C1CCN(C(=O)[C@H](C)[C@@H]2CCC(=O)N2)CC1 1331692839 AZSKPDZSRMBOJD-YPMHNXCESA-N 305.378 -0.111 30 20 DBED C#CCSCCNC(=O)C(=O)N1CCc2ncncc2C1 1332135367 WEESDYSIMRRSOE-UHFFFAOYSA-N 304.375 -0.156 30 20 DBED C#C[C@@H](NCC(=O)NC1CCN(C(C)=O)CC1)[C@H]1CCCO1 1338321053 YMGHHUJACRTPJO-HUUCEWRRSA-N 307.394 -0.116 30 20 DBED C#CCCCCNC(=O)C(=O)NC[C@H]1COC2(CCOCC2)O1 1346468480 PKDFGSXWVIWTCO-ZDUSSCGKSA-N 324.377 -0.056 30 20 DBED N#C[C@H]1CCCN(C(=O)C(=O)N2CCC[C@H](OCCO)C2)C1 1352978891 RNUYALBENYEOOK-OLZOCXBDSA-N 309.366 -0.252 30 20 DBED CC[C@H](C#N)C(=O)N[C@@H]1CCN(c2cc(=O)n(C)c(O)n2)C1 1363706050 FFXKGZOTINPIMM-NXEZZACHSA-N 305.338 -0.269 30 20 DBED C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)c1cnnn1C 1377569685 AXDLHWZVKZNMFM-QMMMGPOBSA-N 301.310 -0.437 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNCC(=O)N1CCCCCC1 1379183411 HJBHFUWIMGQJCL-CHWSQXEVSA-N 310.398 -0.385 30 20 DBED CNC(=O)c1ccc(C(=O)N[C@@H](C)CNC(=O)[C@H](C)C#N)cn1 1392964113 ULDAIYBTBDKALG-ZJUUUORDSA-N 317.349 -0.165 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1C[C@H](NCC(=O)NC(=O)NC2CC2)C1 1397107242 GJQMZMRRSNYXNM-NHCYSSNCSA-N 321.381 -0.381 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C(=O)[C@@H](C)S(C)(=O)=O)C1CC1 1398362475 CJFKCGWXJPVFLR-VHSXEESVSA-N 315.395 -0.314 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@@H](CNC(=O)CCN2CCOCC2)C1 1406570160 BTJPUGWQCACHJB-MCIONIFRSA-N 322.409 -0.121 30 20 DBED CNC(=O)NCCC(=O)N1CC[C@@H](N(C)C(=O)[C@@H](C)C#N)C1 1407216243 NEJXROIAMGQAHT-WDEREUQCSA-N 309.370 -0.476 30 20 DBED COCCN(CCNC(=O)COC)C(=O)c1c[nH]c(C#N)c1 1413495747 XDOHYRFURDJRGH-UHFFFAOYSA-N 308.338 -0.262 30 20 DBED COCCC1(CNC(=O)Cn2cc(C#N)c(O)nc2=O)CC1 1417667442 AAQICKHRDYRBFU-UHFFFAOYSA-N 306.322 -0.247 30 20 DBED CC(=O)NCC(=O)N(CCNC(=O)c1cc(C#N)c[nH]1)C1CC1 1429876313 CEAAZYIKLMAHCN-UHFFFAOYSA-N 317.349 -0.257 30 20 DBED CC(=O)N[C@H](C)C(=O)NC[C@H](C)CNC(=O)c1cc(C#N)c[nH]1 1457257327 MAXZKTXEAVMWNW-VHSXEESVSA-N 319.365 -0.107 30 20 DBED N#Cc1ccc(CNC[C@@H](O)CNC(=O)[C@H]2COC(=O)N2)cc1 1482725241 UCDNXDACQIPOEX-CHWSQXEVSA-N 318.333 -0.767 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H](O)CNC(=O)[C@@H]2CC2(F)F)c1 1501478767 AWMOSLZCFUQXAT-BDAKNGLRSA-N 312.276 -0.252 30 20 DBED C[C@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)[C@@H]1COC(=O)N1 1502139235 QLKCEHJAAVQTHK-XCBNKYQSSA-N 305.294 -0.771 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@@H](O)CNC(=O)c2ccsn2)c1 1533222346 NFKRCMQNGFUOKQ-VIFPVBQESA-N 319.346 -0.136 30 20 DBED C=CCOC[C@@H](NC(=O)C1=CS(=O)(=O)CCC1)C(=O)O 1573368604 HGXMOZWKHZKURR-SNVBAGLBSA-N 303.336 -0.149 30 20 DBED C=CCOC[C@H](NC(=O)CO[C@H]1CCCNC1)C(=O)OC 1574944176 ZEOASHYHRLGMBG-RYUDHWBXSA-N 300.355 -0.385 30 20 DBED N#CCCN(CCN1CCOCC1)C(=O)[C@H]1NCc2n[nH]cc21 1580051438 HLKZYNLPZOFNBG-AWEZNQCLSA-N 318.381 -0.372 30 20 DBED C#CCN(C)CCCNC(=O)c1cc(-c2nn[nH]n2)cn1C 1588349088 BPNWDYUWWSITGZ-UHFFFAOYSA-N 301.354 -0.110 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)O 1588684855 ZLHDLQXGDNHZJU-JOYOIKCWSA-N 305.352 -0.586 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)N2CCOC[C@@H]2C(=O)O)cc1 1594617854 MSBJVTPHGFLOND-GFCCVEGCSA-N 317.301 -0.400 30 20 DBED O=C(O)Cn1cccc(C(=O)N[C@@H]2CCCN(O)C2=O)c1=O 1595154056 CRAACHRUBFWSEI-SECBINFHSA-N 309.278 -0.957 30 20 DBED N#Cc1cccc(NC(=O)C(=O)NCCSCC(=O)O)n1 1601122230 ICNIJWOCIQGYKJ-UHFFFAOYSA-N 308.319 -0.174 30 20 DBED C#CCN(CC1CC1)C(=O)[C@H](C)n1cnc(-c2nn[nH]n2)n1 1602717778 AOTRKWJSHTULAJ-VIFPVBQESA-N 300.326 -0.109 30 20 DBED C#CCN(CC)C(=O)CCn1cc(-c2nn[nH]n2)c(O)nc1=O 1602720305 UAHGGIDRWAQKGL-UHFFFAOYSA-N 317.309 -0.999 30 20 DBED C[C@@](C#N)(CC(=O)O)C(=O)N1CCN([S@@](C)(=N)=O)CC1 1602780529 IJDRGJCHMOXFLT-PRWKNARSSA-N 302.356 -0.273 30 20 DBED CC(C)(Cn1c(N)nc(-c2nn[nH]n2)c1C#N)CS(C)(=O)=O 1603157193 CAUOYCCMGNCPRF-UHFFFAOYSA-N 324.370 -0.412 30 20 DBED CN(CCCc1[nH]nc(N)c1C#N)[C@H]1CCN(CC(=O)O)C1=O 1604175169 UXTINSSUNHTAIL-NSHDSACASA-N 320.353 -0.587 30 20 DBED COC[C@@]1(C(=O)O)CCCN1S(=O)(=O)N(C)C[C@H](C)C#N 1606834025 GLLNGWSRKZOSOM-ZYHUDNBSSA-N 319.383 -0.112 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)CCc2cn[nH]c2)C1 1732152909 XXLQRWHECMOCAE-ZDUSSCGKSA-N 303.366 -0.718 30 20 DBED C[C@@H](NC(=O)C#CC1CC1)[C@@H]1CCCN(CC(=O)NC(N)=O)C1 1752835190 CEEORRYOZCQQMS-DGCLKSJQSA-N 320.393 -0.189 30 20 DBED C[C@@H](CNC(=O)c1cnc(C2CC2)nc1)NCC(=O)NCC#N 1752904866 ZCYDHADKOURUPV-JTQLQIEISA-N 316.365 -0.298 30 20 DBED C#CCCNC[C@@H](C)N(C)C(=O)[C@@H](CCC)S(N)(=O)=O 1753704940 NRLBJQDYXPZJCP-VXGBXAGGSA-N 303.428 -0.097 30 20 DBED C#CCCN[C@H]1CCN(C(=O)CN2CC(=O)N(C)C2=O)C[C@H]1C 1753761897 ODRCJLFDCNTNFJ-OLZOCXBDSA-N 320.393 -0.270 30 20 DBED C[C@@H](CNCC(=O)NCC#N)NC(=O)c1cc2n(n1)CCCO2 1754276394 OCNVWKNTYCDFJF-JTQLQIEISA-N 320.353 -0.987 30 20 DBED C=CCNC(=O)[C@H](C)N1CC[C@H]1CNC(=O)c1cnn(CC)n1 1754483863 PZZDTHPKNWUPRA-RYUDHWBXSA-N 320.397 -0.207 30 20 DBED C=CCN(CC=C)C(=O)CNC[C@]1(C)CCN(C(=O)C(N)=O)C1 1754704135 DOFUIXOZOIWSBB-INIZCTEOSA-N 322.409 -0.500 30 20 DBED C#CCCCCC(=O)NCC1(O)CN([C@@H]2CCCNC2=O)C1 1754773746 AROPIPVVEXQESB-CYBMUJFWSA-N 307.394 -0.379 30 20 DBED C#CCNC(=O)CN[C@@H](C)[C@H](C)NC(=O)CCc1cn[nH]c1 1755258541 ZVZXZXZEONAVLT-RYUDHWBXSA-N 305.382 -0.426 30 20 DBED Cn1nncc1CN1C[C@@H]2C(CNC(=O)CSCC#N)[C@H]2C1 1755418045 NHUSKZRIHDDTAL-CHWSQXEVSA-N 320.422 -0.134 30 20 DBED COCC#CCNC[C@H]1C[C@H](NC(=O)CCc2nc[nH]n2)C1 1755468150 NNHNVGGKNIDMDP-JOCQHMNTSA-N 305.382 -0.129 30 20 DBED Cc1cn(C)nc1C(=O)N(C)C[C@H](C)NCC(=O)NCC#N 1755585894 DOVZBUUVCHMWJF-NSHDSACASA-N 306.370 -0.582 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(CCO)(NC(=O)c2ncc[nH]2)C1 1756082244 VCBBGVHLQKWANA-NSHDSACASA-N 320.349 -0.859 30 20 DBED NC(=O)NCCC(=O)N[C@H]1CC[C@@H](CNC(=O)C#CC2CC2)C1 1756641190 AXNUJAUIXYNRPZ-OLZOCXBDSA-N 320.393 -0.141 30 20 DBED C=CCOCCCC(=O)N[C@@H]1C[C@H](NC(=O)C(N)=O)C12CCC2 1757042851 LICSWYQIYSLGBB-NEPJUHHUSA-N 323.393 -0.002 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](NC(=O)/C(C)=C\C)[C@@H](O)C1 1757562368 GUNHEYPWHWNWAR-CGGDQNISSA-N 321.377 -0.830 30 20 DBED C=CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1791278180 VJVOZMDHSUPJMC-AVGNSLFASA-N 320.345 -0.370 30 20 DBED C=CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncnn1C 1794574149 RQUMYXBKTPAUNA-PTEHBNRSSA-N 319.365 -0.406 30 20 DBED CC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1835196173 ODUDBOAMYGXVPS-MRXNPFEDSA-N 306.362 -0.124 30 20 DBED C#CCNC(=O)COC(=O)c1ccc(S(=O)(=O)NCC)cc1 7469886 VIWYSPVMFGTYGS-UHFFFAOYSA-N 324.358 -0.109 30 20 DBED CCN(CCC#N)C(=O)Cn1cc([N+](=O)[O-])cc(C(N)=O)c1=O 53767323 RLJZMTLQJIHWLB-UHFFFAOYSA-N 321.293 -0.382 30 20 DBED CCN(CCC#N)C(=O)CNS(=O)(=O)c1cn(C)c(C)n1 105328297 CNXAPMKWUYILRJ-UHFFFAOYSA-N 313.383 -0.231 30 20 DBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCN(C)C 132494057 XJUAIWNCGXWDSK-LLVKDONJSA-N 324.406 -0.097 30 20 DBED C[C@H]1CCCN(/C(=N\CC(=O)N(C)C)NCC(=O)N(C)C)C1 262254796 CPBFCWRFOQKNCR-LBPRGKRZSA-N 311.430 -0.160 30 20 DBED C=CCCO[C@H](C)C(=O)Nc1cnn(CC(=O)NCCO)c1 272285812 UUPVMKVZCLWIAU-LLVKDONJSA-N 310.354 -0.089 30 20 DBED C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCCN1C(=O)CNC1=O 280936905 IWWWJIRGZZCCNH-CMPLNLGQSA-N 310.354 -0.181 30 20 DBED N#Cc1ccc(S(=O)(=O)N2CCSC[C@H]2C(N)=O)o1 287621720 AQRCYJYQQDLKMZ-QMMMGPOBSA-N 301.349 -0.257 30 20 DBED COC(=O)[C@@]1(C)CCN(C(=O)NCCn2cnc(C#N)n2)C1 287713550 BTVVSIXSHBBNAO-ZDUSSCGKSA-N 306.326 -0.256 30 20 DBED C#CCCS(=O)(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)OC 289174283 MTHPVJFISHEIOL-NSHDSACASA-N 318.395 -0.367 30 20 DBED N#Cc1cncc(S(=O)(=O)NCCN2CCCOCC2)c1 289425068 IJRRFWFWHZXTAV-UHFFFAOYSA-N 310.379 -0.046 30 20 DBED C=C[C@H](CO)NC(=O)Nc1ccc(S(=O)(=O)NC)cn1 290430091 QOTQLZSSUPEKPR-MRVPVSSYSA-N 300.340 -0.342 30 20 DBED C=C[C@@H](CO)NC(=O)c1cc(S(N)(=O)=O)ccc1OC 290711822 WVWCAZDMTUFEIX-QMMMGPOBSA-N 300.336 -0.381 30 20 DBED C=CCC[C@H](NS(=O)(=O)c1cc(C(N)=O)n(C)c1)C(=O)O 316261503 GCGHWESXHXXIHN-VIFPVBQESA-N 315.351 -0.178 30 20 DBED Cn1ccnc(N2CCC[C@@H](/N=C(/O)c3cnn[nH]3)C2)c1=O 329302964 NRJGUNUFZKKCSO-SECBINFHSA-N 303.326 -0.128 30 20 DBED COCCn1cc(N=C(O)N2CCN(C(=O)CO)CC2)cn1 330565492 BVGVCGTZCCIEEU-UHFFFAOYSA-N 311.342 -0.789 30 20 DBED Cc1occc1/C(O)=N/CC(=O)N1CCN(C(=O)[C@H](C)O)CC1 330575124 QJYPVCFKRMAFCJ-JTQLQIEISA-N 323.349 -0.056 30 20 DBED COCCO[C@@H]1CCN(/C(O)=N/C[C@@H]2CN(C)CCO2)C1 331236220 UCPMSBFJXFUKBU-CHWSQXEVSA-N 301.387 -0.032 30 20 DBED CNC(=O)CCCN(C)S(=O)(=O)N(CCC#N)CCOC 336888997 LTSLOOBJVQJPPM-UHFFFAOYSA-N 320.415 -0.449 30 20 DBED CS(=O)(=O)c1nc(C(=O)NCC#CCO)c2ccccn12 339193218 BRMVGFJONUTYJR-UHFFFAOYSA-N 307.331 -0.537 30 20 DBED COC(=O)CN(CC#N)C(=O)Cc1nc2nc(C)cc(C)n2n1 348798776 DCZFRIMJNNFQTA-UHFFFAOYSA-N 316.321 -0.191 30 20 DBED N#Cc1ccc(CNC(=O)CN2CCN(CCO)CC2)cc1 349118703 NVPIXTNFQUOHPF-UHFFFAOYSA-N 302.378 -0.216 30 20 DBED CN(C)C(=O)COC1CN(S(=O)(=O)c2cncc(C#N)c2)C1 352255332 FEJFXQLQDCMEBX-UHFFFAOYSA-N 324.362 -0.569 30 20 DBED N#CCNC(=O)CNC(=O)C(=O)Nc1ccc(C#N)cc1Cl 357298056 XIIZYSNOJVITTG-UHFFFAOYSA-N 319.708 -0.094 30 20 DBED CCn1cc(CN(CCO)S(=O)(=O)N(C)CCC#N)cn1 360188016 DEWWAQGXEMWZJR-UHFFFAOYSA-N 315.399 -0.212 30 20 DBED COC(=O)CN(CC#N)S(=O)(=O)CC1(C(=O)OC)CCC1 360216956 CAUACUITPFELDT-UHFFFAOYSA-N 318.351 -0.342 30 20 DBED CCN(CCC#N)C(=O)CN1CCC[C@@H](S(N)(=O)=O)C1 368212266 MFCYOWZTPITOKC-LLVKDONJSA-N 302.400 -0.499 30 20 DBED CN1CCNC[C@H]1CNS(=O)(=O)Cc1cccc(C#N)c1 394410803 OBIZRZHTZXHGAE-AWEZNQCLSA-N 308.407 -0.119 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2c[nH]nc2C2CC2)CC1 491555987 UYAWTIBRXZMKAX-UHFFFAOYSA-N 315.377 -0.206 30 20 DBED N#Cc1ccc(CS(=O)(=O)NC[C@@H](O)Cn2ccnn2)cc1 563434560 KFLHLHRZPIFPPE-CYBMUJFWSA-N 321.362 -0.370 30 20 DBED Cn1c(N2C[C@H]3[C@H]4C=C[C@@H](O4)[C@H]3C2)c(C#N)c(=O)n(C)c1=O 565726067 OENQWJYCBSBSIX-WRWGMCAJSA-N 300.318 -0.655 30 20 DBED CN(C[C@@H](O)CN=c1nc[nH]cc1C#N)c1ncncc1C#N 576222789 ISUAQKMOOJEJHF-LBPRGKRZSA-N 310.321 -0.659 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H]2COC)C1=O 674528156 KTWVDUPJYLIEBY-JTQLQIEISA-N 309.322 -0.399 30 20 DBED C[C@H](C(=O)N(C)CC(=O)OCC(=O)NCC#N)n1cccn1 731242679 JHWMGINYMRZDDZ-SNVBAGLBSA-N 307.310 -0.915 30 20 DBED C=C(C)COC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 748467575 VEXXVSQUUHJXII-UHFFFAOYSA-N 301.324 -0.489 30 20 DBED Cn1c(N)c(C=NNc2ccc(Cl)nn2)c(=O)n(C)c1=O 749806616 FXLNDDKHPFGXKY-UHFFFAOYSA-N 309.717 -0.444 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1cc(C(N)=O)c[nH]1 750418636 QPHHCIAWLKESDD-SSDOTTSWSA-N 308.294 -0.329 30 20 DBED CC(C)[C@@](C)(C#N)NC(=O)CN1[C@H](C)C(=O)N(C)S1(=O)=O 752876550 BUQJPAFLAFDRTF-BXKDBHETSA-N 316.383 -0.552 30 20 DBED C#C[C@@H](CC)NC(=O)NCCS(=O)(=O)N1CCOCC1 753121773 UGHWQENPOXFEGH-NSHDSACASA-N 303.384 -0.641 30 20 DBED CS(=O)(=O)c1ccc(C(N)=NOCCOCCO)cc1 763425961 IPQWOISCEGQIKT-UHFFFAOYSA-N 302.352 -0.264 30 20 DBED C=CCN(CC(=O)OCC)CC1(O)CCS(=O)(=O)CC1 767350297 GFTPVUZYKRSJPU-UHFFFAOYSA-N 305.396 -0.023 30 20 DBED N#CCNC(=O)CNC(=O)N1CCC[C@H](N2CCCCC2=O)C1 807553847 ZRWNCNNFJMRTKY-LBPRGKRZSA-N 321.381 -0.187 30 20 DBED Cn1c(N[C@H]2CCC[C@@H]2C#N)c(-c2nn[nH]n2)c(=O)n(C)c1=O 822600645 OVCXXMXINRPDCI-SFYZADRCSA-N 316.325 -0.632 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 823092196 SOZIYSJEXYGUGD-AWEZNQCLSA-N 307.394 -0.209 30 20 DBED C[C@@H](CS(=O)(=O)NCC1CCN(CC#N)CC1)C(=O)O 827558452 MUWYHRNIGIBTAV-JTQLQIEISA-N 303.384 -0.138 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@@](C)(O)C(C)C)CC1 831568412 HTPXGIZRVLASNF-ZDUSSCGKSA-N 317.411 -0.995 30 20 DBED C#CCN(CC(=O)N[C@H]1CN(C)NC1=O)C(=O)OC(C)(C)C 831686138 KYZPEUDUQOTSQS-JTQLQIEISA-N 310.354 -0.682 30 20 DBED C#CCOCCNC(=O)N1CCC[C@@H](N2CCNCC2=O)C1 841876046 RSHGTVNBCKUMSG-CYBMUJFWSA-N 308.382 -0.758 30 20 DBED C=C(CN(C)C)C(=O)NC1CCN([C@H]2CCN(C)C2=O)CC1 843886498 SYBUGZXNBDWWKA-AWEZNQCLSA-N 308.426 -0.085 30 20 DBED COC(=O)NC1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC1 853992017 DAASGEZGRVOFQJ-UHFFFAOYSA-N 321.337 -0.720 30 20 DBED C#C[C@H](NC(=O)C(=O)N1C[C@@H]2CCC[C@]2(N)C1)[C@@H]1CCCO1 857102866 UMXKKKKFRVIMLY-QCQGSNGOSA-N 305.378 -0.377 30 20 DBED C#CCCN1CCN(C(=O)CN2CCC[C@H](C(=O)O)C2)CC1 911252775 WROJKVBNVJUZKZ-AWEZNQCLSA-N 307.394 -0.050 30 20 DBED C#CCN1CCC[C@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 923585418 SRKMHCRIFTXPCU-LBPRGKRZSA-N 318.333 -0.030 30 20 DBED C=CCNC(=O)CNC(=O)[C@@H]1CSCN1C(=O)OCC 935266606 BFDVVSPWVQHIGS-VIFPVBQESA-N 301.368 -0.064 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H]2CCN(C(=O)[C@H]3COCCO3)C2)c1 937793794 IKTSXABSIVMFOO-WCQYABFASA-N 318.333 -0.368 30 20 DBED C#CCN1CCOC2(CCN(C(=O)[C@@]3(C)CCNC3=O)CC2)C1 949471107 QLLJUHPQSOFQAF-INIZCTEOSA-N 319.405 -0.161 30 20 DBED Cn1ncc(C(=O)N2CC[C@H]2CNC(=O)c2c[nH]c(C#N)c2)n1 949491549 QTIZKIPJGRBADQ-NSHDSACASA-N 313.321 -0.341 30 20 DBED COc1ccc(C#N)cc1CN1CCN(C(=O)C(N)=O)CC1 949967494 ZGTAGUZXKHROPT-UHFFFAOYSA-N 302.334 -0.304 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H]2CCCN(C(=O)CC(N)=O)C2)c1 950253352 ILCHKCFXRRVHLL-JTQLQIEISA-N 303.322 -0.517 30 20 DBED C[C@H](C#N)C(=O)N1CC(N(C)C(=O)c2ccn(C)c(=O)c2)C1 954718943 HEPAYESPBOTWJM-SNVBAGLBSA-N 302.334 -0.172 30 20 DBED C=C(C)CN1C[C@@H](O)[C@@H](CNC(=O)c2cc3n(n2)CCO3)C1 958135071 KDBYJXLVJUXWME-WCQYABFASA-N 306.366 -0.126 30 20 DBED C=CCN1C[C@H](O)[C@H](CNC(=O)c2nc(OC)cc(OC)n2)C1 958184268 XRPQAUZFCTZZOO-MNOVXSKESA-N 322.365 -0.298 30 20 DBED C=C(C)CN1C[C@H](CNC(=O)c2cccnc2C(N)=O)[C@@H](O)C1 958718197 SWLUWBBVTVAGMR-AAEUAGOBSA-N 318.377 -0.221 30 20 DBED CC#CCN1C[C@@H]2C(NC(=O)c3ccc(S(N)(=O)=O)o3)[C@H]2C1 960773107 IWZQDRYEALONDV-UWVGGRQHSA-N 323.374 -0.390 30 20 DBED O=C(N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O)c1cnns1 961734453 DMRVFLYQYBEULI-ZJUUUORDSA-N 306.347 -0.747 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CN(C(=O)[C@@]3(C)CNC(=O)C3)C[C@H]2C1 961940802 VKPALYXCWWOHIJ-PVTKRXDGSA-N 318.377 -0.411 30 20 DBED C=C(Cl)CN1C[C@H]2C(NC(=O)[C@@H]3CCS(=O)(=O)N3)[C@@H]2C1 962601322 BMMDUINYWOYCGG-BBBLOLIVSA-N 319.814 -0.523 30 20 DBED CCN(C(=O)[C@H]1CCCC(=O)N1)C1CN(C(=O)[C@H](C)C#N)C1 968060539 ZRYSTBCZSDMOFN-ZYHUDNBSSA-N 306.366 -0.126 30 20 DBED C#CCCN1CC([C@H](C)NC(=O)C2CC3(C2)NC(=O)NC3=O)C1 970567611 SRLUSQBWYSENNG-SGWRBKMISA-N 318.377 -0.566 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)c3cc(C(N)=O)co3)C2)C1 972549662 PXJABOGSNIPOKC-INIZCTEOSA-N 317.345 -0.071 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)C[C@H]3CCC(=O)N3C)[C@H]2C1 976938305 IEOWPORKTUPNCU-VINAVUOLSA-N 318.377 -0.270 30 20 DBED C#CCN1C[C@H]2[C@H](CNC(=O)c3nc4ncc(C)cn4n3)[C@H]2C1 978305418 DFAFXEJQTSABHE-XYYAHUGASA-N 310.361 -0.026 30 20 DBED C#CCN1C[C@H]2C[C@@H](NC(=O)Cn3ncn(C)c3=O)CC[C@H]2C1 980089157 XFMRNGLFZJFDPA-MJBXVCDLSA-N 317.393 -0.568 30 20 DBED CO[C@H]1C[C@H](C(=O)N2CCCN(CC#N)CC2)N(C(C)=O)C1 981688386 WAVGIKFUAUSQTG-UONOGXRCSA-N 308.382 -0.320 30 20 DBED C#CCCN1C[C@@]2(C)CN(C(=O)Cn3ncnn3)C[C@@]2(C)C1 982281084 MSKPMNICSFFISG-GASCZTMLSA-N 302.382 -0.133 30 20 DBED C[C@@H]1[C@@H](NC(=O)c2cn(C)nn2)CCN1C(=O)C#CC1CC1 987813371 POOTYSKLFGEOGQ-PWSUYJOCSA-N 301.350 -0.052 30 20 DBED COc1c(O)nc(O)nc1C(=O)N1C[C@@H](NCC#N)C[C@@H]1C 989677723 YFYAERYLPWGJLN-YUMQZZPRSA-N 307.310 -0.387 30 20 DBED C#CCN1CC[C@]2(NC(=O)c3cnc(O)n(C)c3=O)CCC[C@H]12 992100617 RROHIOGODQBQEK-BLLLJJGKSA-N 316.361 -0.154 30 20 DBED C=CCN1CC[C@]2(NC(=O)CN3CC(=O)NC3=O)CCC[C@H]12 992332282 OVVPNDBPKYDFCM-XHDPSFHLSA-N 306.366 -0.163 30 20 DBED C[C@H](C#N)C(=O)N1CC(n2cc(CNC(=O)C3CC3)nn2)C1 994727822 VXZZYURSGOHOLB-SECBINFHSA-N 302.338 -0.153 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H](C)C1CCN(CC(N)=O)CC1 997624007 KENVQZLWXXUOMR-ZFWWWQNUSA-N 320.437 -0.214 30 20 DBED C#Cc1ccc(C(=O)N2CC(NC(=O)c3nnn(C)n3)C2)cc1 997877018 DLZRACRZMBPMBI-UHFFFAOYSA-N 310.317 -0.554 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CCN(C)C2)C1 1000014450 WTUNCFLCERMEJR-BNOWGMLFSA-N 307.394 -0.144 30 20 DBED C#CCOc1ccc(C(=O)NCC2CN(C(=O)C(N)=O)C2)cc1 1001964203 MHVSPUHCEMCNSU-UHFFFAOYSA-N 315.329 -0.628 30 20 DBED N#Cc1c[nH]c(C(=O)NC2CCN([C@@H]3CCNC3=O)CC2)c1 1002551034 JZLSFGBMSWVFMW-CYBMUJFWSA-N 301.350 -0.031 30 20 DBED C=CCn1cccc1C(=O)NCC1[C@@H]2CN(C(=O)C(N)=O)C[C@@H]12 1009173201 JKQHHNGBOYGLSQ-RYUDHWBXSA-N 316.361 -0.406 30 20 DBED C[C@@H](C#N)C(=O)N1CCCC2(C1)CN(C(=O)[C@H]1CNC(=O)N1)C2 1010818830 XWYBJNYNSYYBOR-WDEREUQCSA-N 319.365 -0.722 30 20 DBED C#Cc1cncc(C(=O)N2CCN(C(=O)c3ncn(C)n3)CC2)c1 1011089655 PFVRGRZQGIPFPK-UHFFFAOYSA-N 324.344 -0.210 30 20 DBED N#CCN1CCC2(CC1)C[C@H]2NC(=O)C1CC(=O)NC(=O)C1 1016878779 ZWQJPERANREMCQ-LLVKDONJSA-N 304.350 -0.467 30 20 DBED Cn1nnc(CN[C@H]2C[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)n1 1021945868 DTOBWPLTBLOUJF-AOOOYVTPSA-N 300.326 -0.540 30 20 DBED N#CCN[C@H]1C[C@@H](NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 1022470446 SUHPGFJHMLMLDN-BARDWOONSA-N 322.409 -0.373 30 20 DBED Cc1ccncc1CC(=O)N[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1O 1024360977 VVMDAYJHSXSVJC-MRVWCRGKSA-N 316.361 -0.220 30 20 DBED C=CCN1CC[C@@H](N2CC[C@H](CNC(=O)c3cnn[nH]3)C2)C1=O 1028652889 GRZXWABHNOJYCP-DGCLKSJQSA-N 318.381 -0.357 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCN(Cc2nnn(C)n2)C1 1028808683 CURSADCQLRNNCU-UPJWGTAASA-N 320.397 -0.261 30 20 DBED N#Cc1ccc(C(=O)NCC2CN([C@H]3CCCNC3=O)C2)[nH]1 1031620973 RUDHVNULAYYYJE-ZDUSSCGKSA-N 301.350 -0.173 30 20 DBED O=C1CNC(=O)N1CCN1C[C@@H]2C[C@H]1CN2C(=O)C#CC1CC1 1032397222 OVVWCIMOFFSFQP-STQMWFEESA-N 316.361 -0.763 30 20 DBED C=CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cn(CC(=O)N(C)C)nn1 1032802664 IZQNLVSVOGTRPE-RYUDHWBXSA-N 318.381 -0.549 30 20 DBED C#CCN1CC[C@H](N(C)C(=O)c2ccc(-n3cnnn3)cn2)C1 1033296728 YGNMVLGQJIIFRD-ZDUSSCGKSA-N 311.349 -0.163 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CC[C@H](N[C@@H](C)C(N)=O)CC2)nn1 1034751030 HOEWITSUZNADJJ-SRVKXCTJSA-N 320.397 -0.032 30 20 DBED Cn1cc(C(=O)N[C@H]2CC[C@H](NCC#N)CC2)c(=O)n(C)c1=O 1034752672 WRUHAQRNEJFIRA-XYPYZODXSA-N 319.365 -0.762 30 20 DBED CC#CCN1CCO[C@H](CNC(=O)c2ccc(OC)nn2)C1 1035571254 WMRNGNBYKPPXDZ-GFCCVEGCSA-N 304.350 -0.061 30 20 DBED C#CCN[C@H]1CCN(C(=O)c2nc(O)nc(O)c2OC)C[C@H]1C 1036256729 HKQJRSFTUXDVFM-ZJUUUORDSA-N 320.349 -0.030 30 20 DBED C#CCCN1C[C@H]2C[C@H]1[C@H]2NC(=O)CN1CCC(=O)NC1=O 1037659469 IGWCOJAJMGGLBW-SUNKGSAMSA-N 304.350 -0.860 30 20 DBED CC(C)C#CC(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2COCCO2)C1 1039664387 PDMQMKOJNIQMHO-XJKSGUPXSA-N 324.377 -0.859 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@]1(O)CCN(C(=O)C(C)(F)F)C1 1039722808 YZPOLPBLIRFYJP-YGRLFVJLSA-N 318.320 -0.241 30 20 DBED COCC(=O)N1CC[C@@H]2OCCN(c3cnc(C#N)cn3)[C@H]2C1 1039990096 NXFRJYNPCMGNPS-STQMWFEESA-N 317.349 -0.199 30 20 DBED CN1CCC[C@@H]1C(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1O 1040943966 GRAUCYHBRFOLPA-JHJVBQTASA-N 316.365 -0.892 30 20 DBED N#Cc1cnccc1N1C[C@@H](O)[C@H](NC(=O)Cn2ccnc2)C1 1041080342 HICPMQHDJGSGRI-TZMCWYRMSA-N 312.333 -0.484 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)C2=COCCO2)C1 1041325521 DWMWTSHLQKPXQP-UHFFFAOYSA-N 308.334 -0.632 30 20 DBED C=C(C)C[C@@H](C)C(=O)N1CC(O)(CNC(=O)CC(=O)NC)C1 1042740906 AXASOLVVWWTZPR-LLVKDONJSA-N 311.382 -0.586 30 20 DBED C=CCC(C)(C)C(=O)NCC1(O)CN(C(=O)[C@H]2CCNC2=O)C1 1043061664 MFWCYDLLLCYGQK-NSHDSACASA-N 323.393 -0.586 30 20 DBED C[C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1Nc1nccnc1C#N 1043077532 WKNFZRDCXNASFL-MWLCHTKSSA-N 313.325 -0.706 30 20 DBED C#CCC1(C(=O)NCC2(O)CN(C(=O)c3cnn[nH]3)C2)CCC1 1043352098 DRVMUNYSJIEVGA-UHFFFAOYSA-N 317.349 -0.699 30 20 DBED CN(C(=O)[C@H]1CNC(=O)N1)C1CN(Cc2ccc(C#N)cc2)C1 1043711907 VNRPNXQONJPIJL-CQSZACIVSA-N 313.361 -0.118 30 20 DBED C=C(C)C(C)(C)C(=O)NCC1(O)CN(C(=O)[C@@H]2CCC(=O)N2)C1 1044404195 ANFGWYSANJMKMU-NSHDSACASA-N 323.393 -0.443 30 20 DBED Cc1ccn(C)c1C(=O)N1CC(O)(CNC(=O)[C@H](C)C#N)C1 1045541526 XCIXEZFBMMRKBG-LLVKDONJSA-N 304.350 -0.204 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)CCc2ccon2)C1 1045556207 XQWGASOSUMKLSJ-SNVBAGLBSA-N 306.322 -0.544 30 20 DBED Cc1cc(C#N)nc(N[C@@H]2CCCC[C@H]2NC(=O)C(N)=O)n1 1045726280 DCCDBJVLDDTOIS-GHMZBOCLSA-N 302.338 -0.019 30 20 DBED C#Cc1cncc(C(=O)NCC2(O)CN(C(=O)COC)C2)c1 1046331596 CHKBBKGABDGXAT-UHFFFAOYSA-N 303.318 -0.988 30 20 DBED N#Cc1nc(=N[C@H]2C[C@@H](CNC(=O)[C@@H]3COC(=O)N3)C2)cc[nH]1 1046369727 MKUYEHQWKSIPST-AEJSXWLSSA-N 316.321 -0.815 30 20 DBED C#Cc1ccccc1CC(=O)N(C)[C@H]1CN(CCO)C[C@@H]1O 1047609870 MRMCJQIOLBXBKK-HOTGVXAUSA-N 302.374 -0.294 30 20 DBED C=CCCC(=O)N(C)[C@H]1CN(C(=O)[C@H]2CCN(C)C2=O)C[C@@H]1O 1048515185 UEUHIBJPIWOICJ-AVGNSLFASA-N 323.393 -0.539 30 20 DBED C=CCCC(=O)N(C)[C@H]1CN(C(=O)Cn2nccn2)C[C@@H]1O 1048527650 LPXRWHVZLIANBG-RYUDHWBXSA-N 307.354 -0.726 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2ncc[nH]2)C1 1048793942 KLRVYJZXAWCYBN-SRVKXCTJSA-N 320.349 -0.908 30 20 DBED Cc1c[nH]c(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)C#CC3CC3)C2)n1 1048824747 IXYOJXJPJSMNOA-STQMWFEESA-N 316.361 -0.225 30 20 DBED C=CCO[C@@H](C)C(=O)N(C)[C@H]1CN(C(=O)c2cnn[nH]2)C[C@@H]1O 1049011252 QAYMKHMLBZZCEJ-DLOVCJGASA-N 323.353 -0.961 30 20 DBED CCn1ccnc1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)C#N)C1 1049395788 YSWOJBSOYCLJBV-SRVKXCTJSA-N 319.365 -0.294 30 20 DBED C#CCCN1CCC2(CC1)CN(C(=O)C1CS(=O)(=O)C1)C2 1050529116 GDCSHEVWSKDEBP-UHFFFAOYSA-N 310.419 -0.021 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)[C@@H]1CCc2nnn(C)c2C1 1051088112 TYCGIYYHZFBNRQ-OLZOCXBDSA-N 317.393 -0.630 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)[C@@H]1CCc2c[nH]nc2C1 1051253733 YHTRAIBUSKNVJQ-TZMCWYRMSA-N 302.378 -0.035 30 20 DBED C[C@H](C(=O)N(C)C)N1CC2(CN(C(=O)C#CC3CC3)CCO2)C1 1053250400 NDGRZBDDZDPJAH-CYBMUJFWSA-N 319.405 -0.210 30 20 DBED C#CCN1CC2(CC[C@@H](CNC(=O)[C@H]3C[C@H]3C(=O)N(C)C)O2)C1 1053660348 KDRDOWUQQFSWTC-MELADBBJSA-N 319.405 -0.307 30 20 DBED COCC(=O)N1CCC[C@@](CO)(NC(=O)c2cc(C#N)c[nH]2)C1 1055863106 SONDMHXKTXDUQA-OAHLLOKOSA-N 320.349 -0.384 30 20 DBED Cc1nc(N2C[C@@H]3C(NC(=O)Cn4cnnn4)[C@H]3C2)ccc1C#N 1056130070 YNCYQAUWNSCBTJ-RYUDHWBXSA-N 324.348 -0.501 30 20 DBED Cn1cc(C(=O)NC2[C@@H]3CN(c4ccc(C#N)nn4)C[C@@H]23)cn1 1056135476 PLVXVVCZCDJMRQ-VXGBXAGGSA-N 309.333 -0.054 30 20 DBED N#Cc1nc(=N[C@@H]2CCN(C(=O)c3cnsn3)C2)cc[nH]1 1056560817 UDCSYCYIOMMNOE-MRVPVSSYSA-N 301.335 -0.052 30 20 DBED CN(c1ccc(C#N)nn1)[C@@H]1CCN(C(=O)Cn2ncnn2)C1 1056967470 BJQNQVYDQDUZJK-LLVKDONJSA-N 313.325 -0.928 30 20 DBED CN(c1ccc(C#N)nn1)[C@@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 1057010731 CTKHWPHDDPNDEI-LLVKDONJSA-N 314.349 -0.349 30 20 DBED Cc1cc(C(=O)N(CCO)CCNC(=O)C#CC2CC2)cnn1 1057433574 SAVNMUIVJZQPGE-UHFFFAOYSA-N 316.361 -0.251 30 20 DBED C#CCO[C@H](C)C(=O)N(CCO)CCNC(=O)c1ccncc1 1057583073 GKPLHXXTJZVZCT-CYBMUJFWSA-N 319.361 -0.329 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)C(C)(C)COC 1058086606 KQNRMYHXUDSKBU-UHFFFAOYSA-N 316.398 -0.201 30 20 DBED CN1C(=O)CC[C@@H]1C(=O)N[C@@H]1CCN(c2nccnc2C#N)C1 1058523211 JBHLGEUTPNMCLP-ZYHUDNBSSA-N 314.349 -0.336 30 20 DBED N#Cc1ccc(N2CC[C@@H](NC(=O)[C@H]3CNC(=O)N3)C2)nc1 1058530801 ALNFXKWCVGGSII-GHMZBOCLSA-N 300.322 -0.670 30 20 DBED N#Cc1cnccc1N1CC[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 1058531559 SMKOBTDTNBQAAT-QWRGUYRKSA-N 300.322 -0.670 30 20 DBED N#Cc1cncc(N2CC[C@H](NC(=O)c3c[nH]c(=O)cn3)C2)n1 1058532861 MPSVQISWQKUAEE-VIFPVBQESA-N 311.305 -0.560 30 20 DBED COCCO[C@@H](C)C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N 1058903707 DQGXABPFTGYSMB-RYUDHWBXSA-N 315.370 -0.865 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)Cc1cnc[nH]1 1058947904 DATLELZMNBJAKD-UHFFFAOYSA-N 306.366 -0.451 30 20 DBED N#Cc1cc(C(=O)N2CC[C@@H](CCNC(=O)CC(N)=O)C2)c[nH]1 1059502302 ODMMRZRLOATQTC-SNVBAGLBSA-N 317.349 -0.270 30 20 DBED N#Cc1cncc(N2CC[C@@H](CNC(=O)[C@H]3CCC(=O)N3)C2)n1 1061538273 BAWKOCBORNTLPG-CMPLNLGQSA-N 314.349 -0.431 30 20 DBED C=CCOCC(=O)N1CCOC[C@H]1CNC(=O)[C@H](O)C(C)C 1061552784 OZCLGJAEHDQQEE-TZMCWYRMSA-N 314.382 -0.451 30 20 DBED CCNC(=O)CC(=O)N1CCOC[C@@H]1CNC(=O)C#CC(C)C 1061566508 OQBXCSONWNDOPH-ZDUSSCGKSA-N 323.393 -0.484 30 20 DBED C=CCOCC(=O)N1CCOC[C@@H]1CNC(=O)[C@@]12COC[C@@H]1C2 1061639479 RZLSFWLEZANTNB-XEZPLFJOSA-N 324.377 -0.431 30 20 DBED C=CCCC(=O)N1CCOC[C@H]1CNC(=O)[C@H]1CN(C)C(=O)N1 1061751692 AHQNLVPFIITWPQ-VXGBXAGGSA-N 324.381 -0.680 30 20 DBED C=CCCCC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1CCNC1=O 1061829400 PXLAFHXJKIMTRT-QWHCGFSZSA-N 323.393 -0.178 30 20 DBED CC(C)(C(N)=O)C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(C#N)nn1 1062539476 PNPLIYMHKYNFIQ-QWRGUYRKSA-N 314.349 -0.351 30 20 DBED C=CCCOCC(=O)NC1(CNC(=O)[C@H]2C[C@H]2C(N)=O)CCC1 1064566737 PHCVTTQSKXDLKF-NEPJUHHUSA-N 323.393 -0.144 30 20 DBED C=CCCC(=O)N1CCO[C@@H](CNC(=O)C[C@H]2CCC(=O)N2)C1 1064956002 PCVBGLPZFJUULN-OLZOCXBDSA-N 323.393 -0.035 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCO[C@@H](CNC(=O)c2cnco2)C1 1065092471 ICQFRISMLKYWGF-NHYWBVRUSA-N 323.349 -0.041 30 20 DBED N#Cc1cnc(N2CC[C@H]3[C@H]2CCCN3C(=O)CC(N)=O)cn1 1066126292 DVTMDHWIOKWCSO-NEPJUHHUSA-N 314.349 -0.207 30 20 DBED C[C@@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1Nc1ccc(C#N)cn1 1067148963 KKJWCVMRYXIQIW-PWSUYJOCSA-N 312.337 -0.101 30 20 DBED C=C[C@@H](C)[C@H](C)C(=O)N1CC2(CN(C(=O)C(N)=O)CCO2)C1 1068448806 UBLNSEMRETXYNL-MNOVXSKESA-N 309.366 -0.630 30 20 DBED CC(=O)N[C@@H](C)C(=O)N1CC2(CN(C(=O)[C@@H](C)C#N)CCO2)C1 1068451915 WLUQLODEFIRAGM-QWRGUYRKSA-N 322.365 -0.890 30 20 DBED N#Cc1cncc(NC[C@H]2C[C@H](NC(=O)Cn3ncnn3)C2)n1 1068530935 JGPXXDAZOQLRFT-MGCOHNPYSA-N 313.325 -0.658 30 20 DBED C=CCOCC(=O)N1CC2(C[C@@H](NC(=O)[C@@H]3CCOC3)CO2)C1 1068739718 QRILXORCKPYCMH-CHWSQXEVSA-N 324.377 -0.288 30 20 DBED C=CCN[C@@H]1CN(C(=O)[C@@H]2COCCO2)C[C@@H]1n1ccnn1 1070146828 HRJMUCFGTGMYTM-AGIUHOORSA-N 307.354 -0.779 30 20 DBED C=CCN[C@@H]1CN(C(=O)Cc2nnc(C)o2)C[C@@H]1n1ccnn1 1070188739 MDKZNZJFPYIYMQ-NEPJUHHUSA-N 317.353 -0.260 30 20 DBED C=CCOCC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(C)C2)C1 1070851130 HAFFMFLWPYAWQR-CHWSQXEVSA-N 323.393 -0.226 30 20 DBED C#CCCCCC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CNC(=O)N2)C1 1071208227 ZNWHOYPEPQYCHH-OLZOCXBDSA-N 320.393 -0.031 30 20 DBED C=CCOCC(=O)N1C[C@@H](NC(=O)CN(C)C(C)=O)[C@H](C)C1 1071809464 VDWCGXTZRYMEQL-DGCLKSJQSA-N 311.382 -0.370 30 20 DBED C=CCOCC(=O)N1C[C@@H](NC(=O)Cn2nccn2)[C@H](C)C1 1071810402 AGGIRSWFLGSYNQ-VXGBXAGGSA-N 307.354 -0.556 30 20 DBED C[C@H]1CN(C(=O)c2cnon2)C[C@H]1NC(=O)CSCC#N 1072581833 GNQQUIGTGRUALK-WCBMZHEXSA-N 309.351 -0.097 30 20 DBED C[C@H](C(=O)N1CC2(CCN(CC#N)C2)C1)N1C(=O)CCC1=O 1072799669 QTGCEAZIUIFXCZ-LLVKDONJSA-N 304.350 -0.418 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(C(=O)c2cn(C)nn2)C[C@H]1C 1073819307 CGGCWLKINCWLCY-NEPJUHHUSA-N 321.381 -0.016 30 20 DBED C[C@@H]1CN(C(=O)Cn2cnnn2)CC[C@@H]1NC(=O)C#CC1CC1 1073945732 IULBQPORTBLMGR-YPMHNXCESA-N 316.365 -0.560 30 20 DBED CO[C@H](C)C(=O)N1CCC(O)(CNC(=O)C#CC2CC2)CC1 1074500554 VAABHZKCNORUDF-GFCCVEGCSA-N 308.378 -0.096 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(O)(CNC(=O)CC(=O)N(C)C)CC1 1074707156 VOINNPOSIFSPNS-NSHDSACASA-N 324.381 -0.906 30 20 DBED C=CCOCC(=O)N1CC[C@@H](NC(=O)CNC(N)=O)C[C@@H]1C 1074819398 SLYIOTONBQMDCB-WDEREUQCSA-N 312.370 -0.647 30 20 DBED C#CCCCC(=O)NCC[C@H](C)NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 1076295553 YEFNBABOXMFRMM-RWMBFGLXSA-N 323.393 -0.166 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)CCCF)C[C@H]1O 1081340669 GMSFWUYIJRYKIS-VXGBXAGGSA-N 302.346 -0.126 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)Cc2cc[nH]n2)C[C@H]1O 1081347719 ZKVKKDFOJLFTOX-DGCLKSJQSA-N 322.365 -0.910 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)c2ccn(C)n2)C[C@@H]1O 1081465757 LMKOGNWFXKNLFY-OCCSQVGLSA-N 318.377 -0.371 30 20 DBED Cc1cnoc1C(=O)N1C[C@H](CNC(=O)C#CC2CC2)[C@@H](O)C1 1081472550 ZHBMLRBDPABRKJ-STQMWFEESA-N 317.345 -0.054 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCn3cncc3C2)C1 1083580038 NHUFBTPBFLCSAC-YUELXQCFSA-N 302.378 -0.370 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CN(C[C@H](F)CC)C[C@@H]2O)nn1 1083843484 JVUSOPJJAGFILX-WZRBSPASSA-N 311.361 -0.013 30 20 DBED C=CCN1CC[C@H](N[C@H]2C[C@@H](CNC(=O)c3cnon3)C2)C1=O 1086229754 CHKHYIKGUCTRJE-TUAOUCFPSA-N 319.365 -0.046 30 20 DBED C#CCCN1CC[C@@H]2CN(C(=O)C[C@H]3CC(=O)NC3=O)C[C@@H]2C1 1088223196 QWODSULYTYNJOQ-MCIONIFRSA-N 317.389 -0.157 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)[C@H]1C 1088895911 DFCMKNVOXUEWDX-YPMHNXCESA-N 320.393 -0.147 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2cccc(=O)n2C)[C@H](O)C1 1090553788 RJAJGMVYKIRSBS-GXTWGEPZSA-N 303.362 -0.426 30 20 DBED CC(C)OCC(=O)N[C@@H]1CCN(c2ccnc(C#N)n2)C[C@H]1O 1092141848 ADMIMSXUDRRPPS-VXGBXAGGSA-N 319.365 -0.171 30 20 DBED CC(C)OCC(=O)N[C@H]1CCN(c2cncc(C#N)n2)C[C@H]1O 1092142631 KQPVHECDMOGNKG-QWHCGFSZSA-N 319.365 -0.171 30 20 DBED CCCOCC(=O)N[C@H]1CCN(c2cnc(C#N)cn2)C[C@H]1O 1092143839 VANZDXNEZBRDIH-QWHCGFSZSA-N 319.365 -0.169 30 20 DBED C#CCN1CC(OC2CCN(C(=O)[C@@]3(C)CNC(=O)C3)CC2)C1 1093556622 ZYLDAPGMMQEFGZ-QGZVFWFLSA-N 319.405 -0.162 30 20 DBED N#Cc1cnc(NCCNC(=O)c2ccc(C(N)=O)o2)cn1 1094259122 HFPRRZUBNRRAHE-UHFFFAOYSA-N 300.278 -0.118 30 20 DBED Cc1ncc(C(=O)N[C@H]2CC(=O)N(C3CN(CC#N)C3)C2)s1 1094713442 BANDHVIVGMLTHH-JTQLQIEISA-N 319.390 -0.010 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)c3cncc(F)c3)CC2=O)C1 1094723672 OVGKVSPKMAYGQQ-CYBMUJFWSA-N 316.336 -0.131 30 20 DBED C#CCCN1CC(N2C[C@H](NC(=O)[C@]3(F)CCOC3)CC2=O)C1 1094777847 CVXPJRBXEHBQJZ-WBMJQRKESA-N 323.368 -0.460 30 20 DBED CNC(=O)CC(=O)N1CC[C@@H](N=c2cc(C)[nH]cc2C#N)C1 1095030572 NTWMTBPSGZHQKZ-GFCCVEGCSA-N 301.350 -0.168 30 20 DBED CC(=O)N[C@H](C)C(=O)N1CC[C@@H](N(C)c2ccc(C#N)nn2)C1 1095090086 JEWUXCYTDYUQDW-ZWNOBZJWSA-N 316.365 -0.090 30 20 DBED CN(CCCNC(=O)[C@H]1CCC(=O)NC1)c1cncc(C#N)n1 1095777704 PVLICHPLDFMTAC-NSHDSACASA-N 316.365 -0.183 30 20 DBED CC#CCN(CCO)C1CCN(C(=O)C[C@@H]2CCC(=O)N2)CC1 1098498669 VXKOVHGSXOUCRL-AWEZNQCLSA-N 321.421 -0.036 30 20 DBED C#CCCN(CCO)C1CCN(C(=O)Cn2cncn2)CC1 1098555475 KUNNBIACKWJQTP-UHFFFAOYSA-N 305.382 -0.413 30 20 DBED COCCNCc1cn([C@H]2CCN(C(=O)[C@@H](C)C#N)C2)nn1 1098634329 QMTXKZFHDBQATH-AAEUAGOBSA-N 306.370 -0.053 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)[C@@H](C)COC)C1 1101813667 BIKGVTLTZWAENR-HZSPNIEDSA-N 309.410 -0.298 30 20 DBED COCCC(=O)NCC[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1102626919 CFUUUDXMJRSJIE-CHWSQXEVSA-N 310.398 -0.263 30 20 DBED CC[C@H](CNC(=O)CNC(N)=O)N=c1cc(C)[nH]cc1C#N 1102965700 IMDAXHBHEZEHBW-LLVKDONJSA-N 304.354 -0.341 30 20 DBED CC[C@H](CNC(=O)[C@H]1CN(C)CCO1)Nc1cncc(C#N)n1 1103032463 JVBDPMKJTRSCTP-DGCLKSJQSA-N 318.381 -0.014 30 20 DBED CC[C@H](CNC(=O)C1(C(N)=O)CC1)Nc1cncc(C#N)n1 1103281385 HVIZCDWYTBZJTI-SECBINFHSA-N 302.338 -0.080 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1CCNC(=O)c1ccc(=O)n(C)n1 1103699918 UNPOVQCCCABIOF-VXGBXAGGSA-N 303.366 -0.008 30 20 DBED CC(=O)N[C@@H](C)C(=O)NC[C@@H](C)CN=c1cc[nH]c(C#N)n1 1103850235 OICGPILLRKWJHV-UWVGGRQHSA-N 304.354 -0.541 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H]1CN(c2ncccn2)CCO1 1104329783 AIOBCPAGSMAVAS-STQMWFEESA-N 304.350 -0.164 30 20 DBED C[C@H](CNc1cnc(C#N)cn1)N(C)C(=O)[C@@H]1CN(C)C(=O)N1 1104767079 YWPWIMMQOLMSMX-KOLCDFICSA-N 317.353 -0.369 30 20 DBED C#CCNCc1cn(C2CN(C(=O)CC3(O)CCC3)C2)nn1 1105233212 NQSQOZWIBZHCAJ-UHFFFAOYSA-N 303.366 -0.311 30 20 DBED C=CC(C)(C)C(=O)N1CC(n2cc(CN[C@@H](C)C(N)=O)nn2)C1 1105297340 LSRBFXQTGGIUGW-JTQLQIEISA-N 320.397 -0.163 30 20 DBED CN(CCN(C)c1nccnc1C#N)C(=O)CN1CCOCC1 1105371562 CEXJPEKMZGEGHQ-UHFFFAOYSA-N 318.381 -0.425 30 20 DBED CNC(=O)NCC(=O)N(C)CCN(C)c1ncccc1C#N 1105592359 FWTXUZHHFQKQIY-UHFFFAOYSA-N 304.354 -0.223 30 20 DBED CC(=O)N[C@H](C)C(=O)NC[C@H](O)CNc1nc(C)cc(C#N)n1 1105735303 ONUFXHHHOQCALF-SKDRFNHKSA-N 320.353 -0.930 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](O)CNC(=O)[C@@H]2CCCO2)n1 1105737614 IHMSUBPWPMDROG-RYUDHWBXSA-N 305.338 -0.275 30 20 DBED N#Cc1nc(=NC[C@@H](O)CNC(=O)c2ccnc(F)c2)cc[nH]1 1105738979 CRZMRIYFKKTFFK-SNVBAGLBSA-N 316.296 -0.493 30 20 DBED N#Cc1cnc(NC[C@@H](O)CNC(=O)CCn2cccn2)cn1 1105753950 CHHUYYYANVMYGR-GFCCVEGCSA-N 315.337 -0.476 30 20 DBED N#Cc1cccnc1NC[C@H](O)CNC(=O)CCn1cncn1 1105758517 SPAHJXKMXWQYBD-GFCCVEGCSA-N 315.337 -0.476 30 20 DBED COC(=O)c1cnc(NC[C@H](O)CNC(=O)[C@H](C)C#N)nc1 1105773727 MHIXQSRMEIXCAC-PSASIEDQSA-N 307.310 -0.688 30 20 DBED CC(C)(C)C#CC(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1 1105825515 IELZECWJMRQMQH-NSHDSACASA-N 301.350 -0.291 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H](O)CNc1ccc(C#N)nc1 1105970384 GROOLAGPVGUPMP-BXUZGUMPSA-N 302.334 -0.119 30 20 DBED CCN(CCNc1cnc(C#N)cn1)C(=O)[C@@H]1CCC(=O)N1 1106808422 JSQDMNJWDXDHRJ-NSHDSACASA-N 302.338 -0.113 30 20 DBED N#Cc1nccnc1NC/C=C\CNC(=O)CCn1cnnn1 1107300894 ZPLGUOLQVGRPPW-UPHRSURJSA-N 313.325 -0.491 30 20 DBED CN1CC[C@@H](C(=O)NC/C=C\CN=c2cc[nH]cc2C#N)C1=O 1107460498 VFTXKVLDOXCQMV-ZRMMWKCHSA-N 313.361 -0.062 30 20 DBED COc1coc(C(=O)NC[C@@]2(C)CN(CC#N)CCO2)cc1=O 1108073026 AZTFLKDGNLQNLA-HNNXBMFYSA-N 321.333 -0.007 30 20 DBED C[C@@]1(CNC(=O)CCn2cnccc2=O)CN(CC#N)CCO1 1108313032 WLCLCZNOXZAJRE-OAHLLOKOSA-N 319.365 -0.636 30 20 DBED C=CCNC(=O)CN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CNC(C)=O)C2 1108603836 PXVALVKFTFHWHI-IHRRRGAJSA-N 322.409 -0.606 30 20 DBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H]1CCCCO1 1109150986 NTVQTJYPEVWAIZ-ZOBORPQBSA-N 320.393 -0.083 30 20 DBED N#Cc1c[nH]ccc1=NCCN(CCO)C(=O)[C@@H]1CCOC1 1111445791 NJKZIVJLPKPFCW-GFCCVEGCSA-N 304.350 -0.356 30 20 DBED CCOCC(=O)NC[C@H]1CN(c2nc(C)cc(C#N)n2)C[C@@H]1O 1112692757 RLGXIJHHSAIJTE-AAEUAGOBSA-N 319.365 -0.394 30 20 DBED CNC(=O)NCC(=O)NC1CC(CNc2ccc(C#N)nn2)C1 1112873940 HAHGCZGNPWRSLR-UHFFFAOYSA-N 317.353 -0.416 30 20 DBED COCC#CCN1CCN(C(=O)c2cc(=O)c(OC)c[nH]2)CC1 1113102383 GVZOPUJTVBLVNR-UHFFFAOYSA-N 319.361 -0.209 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)CN2CCC[C@@H]2C)CC1 1113346405 YXBUYDRZWUGCJJ-GJZGRUSLSA-N 320.437 -0.247 30 20 DBED CCNC(=O)CC(=O)NC[C@@H](C)N(C)c1cncc(C#N)n1 1113567164 LIIYBPXSDGFLFJ-SNVBAGLBSA-N 304.354 -0.185 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)CCOCC(C)C)[C@H]2C1 1113921934 FSWDKKSBBMWYJD-HALDLXJZSA-N 321.421 -0.155 30 20 DBED CNC(=O)CC(=O)N[C@H]1CN(c2ccnc(C#N)n2)CC[C@H]1C 1114011561 RXUPDXZTRHLUGF-MNOVXSKESA-N 316.365 -0.185 30 20 DBED CC(=O)NCCOCCN1C[C@H]2[C@H](NC(=O)[C@@H](C)C#N)[C@H]2C1 1114066247 ADRTVPBTKMDDNI-SCUASFONSA-N 308.382 -0.655 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@@H](OCC)C3CC3)[C@H]2C1 1114290878 PANHVOQGKQNVOG-XNISGKROSA-N 319.405 -0.403 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1[C@@H]2CN(C[C@@H](O)COC)C[C@@H]12 1114420339 FLOJEAHAICOOLA-TUVASFSCSA-N 321.421 -0.862 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)CCc3ccon3)[C@@H]2C1 1114570547 HARZJEIFCZSEAV-CHWSQXEVSA-N 316.361 -0.597 30 20 DBED Cc1cocc1C(=O)NC1[C@H]2CN(CC(=O)NCC#N)C[C@H]12 1114690302 XRHFDNSARJLQQW-QWRGUYRKSA-N 302.334 -0.112 30 20 DBED CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H]1[C@@H]2CN(CC#N)C[C@@H]21 1114770529 WPJKLFCPZXGDKW-RFQIPJPRSA-N 316.365 -0.973 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3cn(C)c(O)n3)[C@H]2C1 1114772193 NJFVYTHNWNFFNN-IWIIMEHWSA-N 319.365 -0.912 30 20 DBED C=CCN(C(=O)C(=O)N[C@H](C)CS(C)(=O)=O)[C@@H](C)COC 1118683671 ZLGSRCRMKCOLNL-MNOVXSKESA-N 320.411 -0.415 30 20 DBED Cc1ccc(C(=O)NC[C@@H](CO)Nc2cncc(C#N)n2)nn1 1121446289 JLIDKVASZNOEGB-NSHDSACASA-N 313.321 -0.351 30 20 DBED CCn1cc(C(=O)NC[C@@H](CO)Nc2ccc(C#N)nc2)nn1 1121926857 GNURHVOQIBTLSU-LBPRGKRZSA-N 315.337 -0.233 30 20 DBED N#Cc1c[nH]ccc1=N[C@H](CO)CNC(=O)CCCCC(N)=O 1122045141 PBGRZMGFWOJICQ-LBPRGKRZSA-N 319.365 -0.690 30 20 DBED Cc1cc(C#N)nc(N[C@@H](CO)CNC(=O)C(C)(C)C(N)=O)n1 1122197289 BNKOQIJSFKTMHN-SNVBAGLBSA-N 320.353 -0.943 30 20 DBED N#Cc1cccnc1N[C@@H](CO)CNC(=O)[C@]1(F)CCOC1 1122411884 UFNHQSQINXIRPO-RISCZKNCSA-N 308.313 -0.029 30 20 DBED C[C@@H]1OCCO[C@@H]1C(=O)NC[C@@H](CO)Nc1ccc(C#N)nn1 1122776293 QMVFWRCTDFGBCY-GAFUQQFSSA-N 321.337 -0.959 30 20 DBED CO[C@@H](C)CCC(=O)N(C)C[C@@H](O)CN=c1cc[nH]c(C#N)n1 1124329901 VMVQUYOPEYUBCK-RYUDHWBXSA-N 321.381 -0.184 30 20 DBED CN1CC[C@@H](C(=O)N(C)C[C@@H](O)CN=c2cc[nH]cc2C#N)C1 1124352367 MPGFCUSCEZTFRE-OCCSQVGLSA-N 317.393 -0.442 30 20 DBED COCCN(CCNC(=O)[C@@H](C)OC)c1ccnc(C#N)n1 1126238379 RAMBZRBEEPYGAV-LLVKDONJSA-N 307.354 -0.048 30 20 DBED C#CCCCC(=O)NCCN[C@H](C)C(=O)NC(=O)NC1CC1 1126356518 PCJRALIDMQOXDZ-LLVKDONJSA-N 308.382 -0.128 30 20 DBED CC#CCN[C@H]1CCN(c2cccc(CNC(=O)C(N)=O)n2)C1 1127846729 YLMNFDYFMZFRBO-ZDUSSCGKSA-N 315.377 -0.625 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1nc2cccnc2s1 1129565078 OWDGGRDDVFRLCW-UHFFFAOYSA-N 318.362 -0.350 30 20 DBED C=CCCN[C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1c1cncn1C 1130906316 QGQADIJBJDQVEP-VXGBXAGGSA-N 320.397 -0.452 30 20 DBED CC(C)(C)c1cc(C(=O)NCCNCC(=O)NCC#N)no1 1131209156 IWEYOZCRTXUVOD-UHFFFAOYSA-N 307.354 -0.069 30 20 DBED C#CCCN1C[C@H]2C[C@H]3CN(C(=O)COCCOC)C[C@@]3(C1)O2 1131209619 DGIQIDPHMFNXNB-ZMSDIMECSA-N 322.405 -0.026 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)CCC(=O)NCC)CC1 1131345275 SUWHTDFAUCYENJ-UHFFFAOYSA-N 322.409 -0.814 30 20 DBED C[C@@H]1CC[C@@H](NC(=O)c2cnco2)CN1CC(=O)NCC#N 1132204650 XZZJWEVMMUJEDJ-GHMZBOCLSA-N 305.338 -0.103 30 20 DBED C=CCNC(=O)CNC[C@H]1CN(C(=O)c2cnn[nH]2)CC[C@H]1C 1132946554 TVHPFXPRPFBNBZ-NEPJUHHUSA-N 320.397 -0.205 30 20 DBED C=CCn1cc(C(=O)N2CC[C@@H](C)[C@H](CNCC(N)=O)C2)nn1 1133153960 AMNKPTUIQJBXNR-VXGBXAGGSA-N 320.397 -0.363 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)c1cncn1C)NCC(=O)NCC#N 1134884880 NZEIKHAFGNRTCT-WDEREUQCSA-N 306.370 -0.454 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)C1(NC(C)=O)CCCC1 1135205956 OXWNUOKKNISWGU-GFCCVEGCSA-N 322.409 -0.721 30 20 DBED C=CCOCCN[C@H](C)C[C@@H](C)NC(=O)CS(=O)(=O)NC 1146429886 GNBIVECKOYATIV-VXGBXAGGSA-N 321.443 -0.389 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@H]1CCO[C@@H](C(C)C)C1 1146769834 NVRJEANGGJKUTQ-UONOGXRCSA-N 309.410 -0.107 30 20 DBED C#CCOc1ncccc1C(=O)NCCN[C@@H](CC)C(N)=O 1148302039 AISPIZMRSSHLML-LBPRGKRZSA-N 304.350 -0.323 30 20 DBED CCS(=O)(=O)N(C)CC(=O)N1CC2(CCN(CC#N)C2)C1 1148537257 FAKJHMBOUKGFLN-UHFFFAOYSA-N 314.411 -0.674 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CN(Cc2nncn2C)CCCO1 1149397413 AZWQEPVOPQQXOH-NWDGAFQWSA-N 306.370 -0.318 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)c1cc(C(N)=O)ccn1 1153934344 JSUJSGYZSULSQJ-SNVBAGLBSA-N 319.365 -0.809 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCCNCC(=O)Nc1cnccn1 1157190015 XTVLXZFWQOGWOJ-OAHLLOKOSA-N 321.381 -0.162 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)[C@H](C)NC(=O)CC 1158663755 RHVSWDHPMCVYSP-NEPJUHHUSA-N 312.414 -0.312 30 20 DBED C#CCC1(C(=O)NCCCNCc2nnnn2C)CCOCC1 1159651028 PDKOKAQXCYLHKP-UHFFFAOYSA-N 320.397 -0.374 30 20 DBED C#CCNC(=O)[C@H](C)NCCCC[C@H](C)NC(=O)CNC(C)=O 1168866113 OVXTTWVNUXCSPG-STQMWFEESA-N 324.425 -0.475 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@H]1CCN(C(C)=O)C1 1174828514 QZHWUDJRIADNTP-ZDUSSCGKSA-N 310.398 -0.747 30 20 DBED COCC#CCN1CCO[C@@H]2CCN(C(=O)CCOC)C[C@@H]21 1176877734 XYHNWWAGTJZRBR-LSDHHAIUSA-N 310.394 -0.026 30 20 DBED CN(C)C(=O)C1(C(=O)N2CC[C@@H]3OCCN(CC#N)[C@H]3C2)CC1 1177133234 ZAOLYYPMEYONPE-STQMWFEESA-N 320.393 -0.320 30 20 DBED C[C@H]1CCCN1CC(=O)N1CC[C@H](NCC(=O)NCC#N)[C@@H]1C 1179534522 NSECFAKZTBXNLO-IHRRRGAJSA-N 321.425 -0.311 30 20 DBED N#CCN[C@@H]1CCN(C(=O)CCNC(=O)c2ccncc2)C1 1183015751 KXEAMBZIKCCFTE-CYBMUJFWSA-N 301.350 -0.084 30 20 DBED N#CCSCC(=O)N[C@@H]1CN(C[C@@H]2CCCOC2)C[C@H]1O 1191162254 OZAMNRJUJGBNHJ-YNEHKIRRSA-N 313.423 -0.169 30 20 DBED C#CCC1(C(=O)N[C@@H]2CN(Cc3cnn(C)n3)C[C@H]2O)CCC1 1193684578 BFPGRGJIXFRBOM-ZIAGYGMSSA-N 317.393 -0.330 30 20 DBED CC(=O)NCCOCCN1CCCN(C(=O)[C@H](C)C#N)CC1 1195314630 PSLUEWITGXGYOU-CYBMUJFWSA-N 310.398 -0.167 30 20 DBED C=CCNC(=O)[C@H](C)N1CCCN(C(=O)[C@@H]2CCC(=O)N2)CC1 1197871647 VKTHLMYHDYRAFB-STQMWFEESA-N 322.409 -0.510 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)COCC=C)CCCO1 1200108756 JHPYSFLQUPHTHQ-CQSZACIVSA-N 323.393 -0.855 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)CCCO1 1201410311 GMJNGJZIMILWNS-KFWWJZLASA-N 321.421 -0.059 30 20 DBED N#CCNC[C@H]1CN(C(=O)[C@@H]2CCc3nncn3C2)CCCO1 1202127004 XGRZKGUBXLQXIV-OLZOCXBDSA-N 318.381 -0.429 30 20 DBED CC(C)C[C@H](C(N)=O)C(=O)N1CCCO[C@@H](CNCC#N)C1 1202251211 PMZYHEMKGJOGTJ-QWHCGFSZSA-N 310.398 -0.135 30 20 DBED N#CCNC(=O)CNC1CCN(C(=O)c2n[nH]cc2F)CC1 1202372927 XQTJHPCNLKARLO-UHFFFAOYSA-N 308.317 -0.617 30 20 DBED COCC#CCNCC1CCN(C(=O)[C@H](C)NC(C)=O)CC1 1204400829 MUMIEAZRQLLGJL-ZDUSSCGKSA-N 309.410 -0.011 30 20 DBED COCC#CCN1C[C@@H](NC(=O)C[C@@H](C)NC(N)=O)[C@H](C)C1 1206966559 PUDOOUPGOSFZOM-JHJVBQTASA-N 310.398 -0.480 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)Cc2cncnc2)C1 1207919494 BWSVXGZTNSNLNP-AWEZNQCLSA-N 317.393 -0.098 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1C 1208731451 MHSRVSJAYOUALA-KKOKHZNYSA-N 324.381 -0.791 30 20 DBED CO[C@@H](C(=O)N1CCC[C@H](NCC(=O)NCC#N)C1)C(C)C 1209447363 ZGNFGFJZJMOTMH-GXTWGEPZSA-N 310.398 -0.122 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)COCC=C)[C@H](OC)C1 1212034499 XJTMPXNTYWWQMJ-MGPQQGTHSA-N 323.393 -0.858 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)CC(C)(C)O)C[C@H]1C 1214537532 HQGNNHLLYORKGU-FRRDWIJNSA-N 309.410 -0.278 30 20 DBED C=CCN[C@@H]1CN(C(=O)CS(=O)(=O)CCOC)C[C@H]1C 1214984568 SUHWDUUYRQWFKF-VXGBXAGGSA-N 304.412 -0.330 30 20 DBED C#CCCN[C@@H]1CN(C(=O)[C@@H](C)NS(C)(=O)=O)C[C@H]1C 1215684941 JOKRPJBWVUNFNF-IJLUTSLNSA-N 301.412 -0.616 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H]2CN(CC(=O)NCC3CC3)C[C@@H]21 1217528814 VEPKGWFFFUWAKJ-FPMFFAJLSA-N 320.393 -0.416 30 20 DBED COCC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CCN(C)C1 1219032124 QSKLRBAHHMPNHQ-OWCLPIDISA-N 321.421 -0.501 30 20 DBED C=CCCO[C@@H](C)C(=O)N[C@@H]1CN(CC(=O)N(C)C)C[C@@H]1O 1219324028 CQOHQBFKPCGGLF-XQQFMLRXSA-N 313.398 -0.783 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)c2cccc(O)n2)C1 1219415807 HQJFBGFVICLPPD-OLZOCXBDSA-N 305.334 -0.788 30 20 DBED C#CCC1(C(=O)N[C@@H]2CN(C[C@@H](C)O)C[C@@H]2O)CCOCC1 1219780658 ZDVPWKYSFUZPFW-MCIONIFRSA-N 310.394 -0.651 30 20 DBED C#CCCCCCC(=O)N[C@@H]1CN(Cc2nc(O)n[nH]2)C[C@@H]1O 1220147062 ZMWKYDDULCSNRD-NEPJUHHUSA-N 321.381 -0.245 30 20 DBED C=CCC1(C(=O)N[C@@H]2CN(Cc3nnn(C)n3)C[C@@H]2O)CCC1 1220278914 RKPOBFOUNUSOIO-NEPJUHHUSA-N 320.397 -0.382 30 20 DBED CC[C@H](CC(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@@H]1O)C(C)C 1220801631 HOORWFRKZSPJHZ-MCIONIFRSA-N 324.425 -0.140 30 20 DBED CC[C@H](OC)C(=O)N1CC[C@H]2CCN(CC(=O)NCC#N)[C@H]2C1 1222372102 XJFYFABRSRSZFK-RDBSUJKOSA-N 322.409 -0.026 30 20 DBED C#CCCN1CCC(CNC(=O)CCNS(C)(=O)=O)CC1 1223374203 KDKROANCNXOTQU-UHFFFAOYSA-N 315.439 -0.223 30 20 DBED C#CCOCCC(=O)NC1CCN([C@H]2CCCNC2=O)CC1 1227322845 FGUILTYTTACJOB-AWEZNQCLSA-N 307.394 -0.115 30 20 DBED Cc1ocnc1C(=O)N(C)C[C@H]1CCN1CC(=O)NCC#N 1230948398 NPEKJHOZJMJEIP-LLVKDONJSA-N 305.338 -0.231 30 20 DBED C#C[C@@H](C)N(C)c1nnc(Cc2nn[nH]n2)n1C[C@@H]1CCOC1 1263562072 JZGODRURDZGCOY-MNOVXSKESA-N 316.369 -0.124 30 20 DBED CCS(=O)(=O)CC(=O)N1CC[C@H](NCC#CCOC)C1 1265459487 BYSSXDDPABNYSM-LBPRGKRZSA-N 302.396 -0.739 30 20 DBED N#CCNC(=O)CN1CCC[C@H](NC(=O)CCCCC(N)=O)C1 1317987931 OQKDOXXZJFZJFN-LBPRGKRZSA-N 323.397 -0.748 30 20 DBED CCN(CC(=O)N(C)C)C(=O)C(=O)Nc1ccn(CCC#N)n1 1319195692 PDAQSYFBDBUYIG-UHFFFAOYSA-N 320.353 -0.328 30 20 DBED C=CCOC[C@H](NC(=O)C[C@@H]1CCS(=O)(=O)C1)C(=O)OC 1322484649 MHABZADJJOKRAY-QWRGUYRKSA-N 319.379 -0.328 30 20 DBED C#CCSCCNC(=O)C(=O)N[C@@H]1CCN(CCOC)C1 1322549092 BBGMUKRKHNFHSM-GFCCVEGCSA-N 313.423 -0.694 30 20 DBED C#CCSCCNC(=O)C(=O)N1CC[C@H](N2CCCC2=O)C1 1323793785 DISZOQUOTSCQRR-LBPRGKRZSA-N 323.418 -0.308 30 20 DBED C#CCSCCNC(=O)N1C[C@@H](C(=O)OC)C[C@@H](O)C1 1325974834 DMQFMLVFXHUARM-WDEREUQCSA-N 300.380 -0.082 30 20 DBED CN(CC(C)(C)O)C(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1329346445 WOEXXVKCLYEETQ-GFCCVEGCSA-N 308.382 -0.586 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)N2CCc3c[nH]nc3C2)C1 1332378046 YCYXVMRMFHCNDH-AWEZNQCLSA-N 303.322 -0.829 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCC[C@@H](N)C2)C1=O 1333458040 ZDQSWEXRIRLXFX-UPJWGTAASA-N 322.409 -0.382 30 20 DBED N#C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H]3NC(=O)CC[C@@H]3C2)C1 1336528663 DRQOKKUYCRFOOJ-XQQFMLRXSA-N 318.377 -0.124 30 20 DBED N#CCOc1ccc(NC(=O)C(=O)N2C[C@H](O)C[C@H]2CO)cc1 1343341694 WNCCDAPTCWYTAE-NWDGAFQWSA-N 319.317 -0.518 30 20 DBED C=CCCC[C@@H](C)NC(=O)C(=O)NCC(=O)N1CCOCC1 1346238980 FMTREFGARWPZOY-GFCCVEGCSA-N 311.382 -0.178 30 20 DBED C#CCN(CC#N)C(=O)c1cc(C(=O)N(CC#C)CC#N)[nH]n1 1350990965 OWHLTUMCICOWDK-UHFFFAOYSA-N 308.301 -0.392 30 20 DBED C=CCNC(=O)Cn1nnnc1N1CCC([C@@H](C)CO)CC1 1352316143 ZEUXHFBWHQERMQ-NSHDSACASA-N 308.386 -0.180 30 20 DBED CC#CCn1nnnc1N1CCN(S(=O)(=O)C2CC2)CC1 1355790200 PZCPJYYPFPBDMM-UHFFFAOYSA-N 310.383 -0.689 30 20 DBED C#CCOCCn1nnnc1N1CC[C@H](NC(=O)NC2CC2)C1 1355799294 DDYWKRLQKFROLI-LBPRGKRZSA-N 319.369 -0.637 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CCN(C(=O)c2ccc(C(N)=O)[nH]2)C1 1373200631 OCMOXIDUKXWCRJ-NXEZZACHSA-N 317.349 -0.148 30 20 DBED C[C@H](CNC(=O)c1ccc(C#N)[nH]1)NC(=O)CNC(=O)C1CC1 1376771474 LCDAIFNWEACADT-SECBINFHSA-N 317.349 -0.353 30 20 DBED C[C@H](NC(N)=O)C(=O)NC1CN(Cc2ccc(C#N)s2)C1 1377881191 SUXBQJLFPBEFJW-QMMMGPOBSA-N 307.379 -0.023 30 20 DBED COc1cc(C(=O)NC[C@@H](O)CNC(=O)[C@H](C)C#N)ccn1 1389105269 JWKVZRIADDQIFM-KOLCDFICSA-N 306.322 -0.543 30 20 DBED C[C@H](CC(N)=O)C(=O)NC1CN(C(=O)c2c[nH]c(C#N)c2)C1 1389342831 MSVGDIUDOOXPEH-MRVPVSSYSA-N 303.322 -0.662 30 20 DBED COCC(=O)NCCC(=O)N(C)C[C@H]1CCN1C(=O)[C@@H](C)C#N 1396479254 PQUOWIAJFDRPDO-NWDGAFQWSA-N 324.381 -0.642 30 20 DBED CC(=O)N1CC(C(=O)N2CC[C@H](CNC(=O)[C@@H](C)C#N)C2)C1 1397651961 GUGFOKPMWKWGAQ-CMPLNLGQSA-N 306.366 -0.411 30 20 DBED CCN(CCC#N)C(=O)CN[C@H](C)CNC(=O)c1cncnc1 1402861011 AHXUQOHJAMHXSC-GFCCVEGCSA-N 318.381 -0.053 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(CCN(C)C(=O)[C@@H]2CCCO2)CC1 1408977921 UDPIMGPWVZURCC-KBPBESRZSA-N 322.409 -0.072 30 20 DBED C[C@@H](C#N)C(=O)N(C)C1CCN(C(=O)Cn2ncnn2)CC1 1412282119 WFPFVZIZOLZCNH-JTQLQIEISA-N 305.342 -0.718 30 20 DBED Cc1cnn(CC(=O)N(C)C[C@H](O)CNC(=O)[C@@H](C)C#N)c1 1413237351 PHGZYLWMXUEELS-NWDGAFQWSA-N 307.354 -0.713 30 20 DBED CCCN1CC[C@H](NC(=O)Cn2cc(C#N)c(O)nc2=O)C1 1413323921 WIQYHBUNYOKWID-NSHDSACASA-N 305.338 -0.579 30 20 DBED C[C@H](C(=O)NCCn1cc(C#N)c(O)nc1=O)n1cccn1 1418528711 FOLZQKMTBVKMNT-SECBINFHSA-N 302.294 -0.606 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNCC(=O)Nc1nccs1 1422265627 NKKDROWNZHXWAL-IUCAKERBSA-N 311.367 -0.692 30 20 DBED Cc1cc(C(=O)NCCN(C)C(=O)[C@@H](C)C#N)ncc1C(N)=O 1429511831 UCZJPZPXSXMCCJ-JTQLQIEISA-N 317.349 -0.163 30 20 DBED C[C@H](NC(N)=O)C(=O)N1CCC(CNC(=O)[C@H](C)C#N)CC1 1429710573 UCMPSBFRXGGWEO-ZJUUUORDSA-N 309.370 -0.442 30 20 DBED CC(C)NC(=O)CN1CCN(CCN(C)C(=O)[C@H](C)C#N)CC1 1443295788 ZVBYPUGBGOFXSZ-CQSZACIVSA-N 323.441 -0.253 30 20 DBED CO[C@@H]1CC[C@H](NC(=O)CCn2cc(C#N)c(O)nc2=O)C1 1447744764 FQZBXIFERPGKFP-WDEREUQCSA-N 306.322 -0.106 30 20 DBED CN(CCNC(=O)CCn1ccnn1)C(=O)c1cc(C#N)c[nH]1 1455217027 VGLAQXUOLNAIDS-UHFFFAOYSA-N 315.337 -0.244 30 20 DBED N#Cc1ccc(CNC[C@H](O)CNC(=O)[C@H]2COC(=O)N2)cc1 1482725249 UCDNXDACQIPOEX-QWHCGFSZSA-N 318.333 -0.767 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC(NC(=O)CNC(=O)C3CC3)C2)c1 1498106724 RMJRXEBILBNWSK-UHFFFAOYSA-N 315.333 -0.647 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@](C)(NC(=O)CCN2CCOCC2)C1 1506465040 PCURTKNSVTXKFB-BBRMVZONSA-N 322.409 -0.024 30 20 DBED COCCN(CCNC(=O)Cn1cncn1)C(=O)[C@@H](C)C#N 1511870781 IXSRMFYKFPXHLM-NSHDSACASA-N 308.342 -0.971 30 20 DBED COc1c[nH]c(C(=O)N[C@H]2C[C@H](NC(=O)[C@H](C)C#N)C2)cc1=O 1525129945 KSGBJMYQVNFSRX-OPRDCNLKSA-N 318.333 -0.080 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CCN(C(=O)c2nccnc2N)C1 1527114512 KNLHRNUGOFOEIR-NXEZZACHSA-N 302.338 -0.203 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CCN(C(=O)c2nccnc2N)C1 1527114522 KNLHRNUGOFOEIR-ZJUUUORDSA-N 302.338 -0.203 30 20 DBED Cn1c(O)nc(N2CC[C@@H](NC(=O)C#CC3CC3)C2)cc1=O 1529163992 RFHXAHXCASSFOB-LLVKDONJSA-N 302.334 -0.406 30 20 DBED C[C@H](C#N)C(=O)NC[C@](C)(NC(=O)Cc1nc[nH]n1)C1CC1 1531791326 NNRHJOCGHAIMBP-OTYXRUKQSA-N 304.354 -0.092 30 20 DBED C=CCCOCC(=O)N[C@@]1(CO)CCCN(Cc2cnn[nH]2)C1 1575100875 YCJSIXUODLUHRT-HNNXBMFYSA-N 323.397 -0.160 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(N=c2cc[nH]c(C(=O)O)n2)CC1 1588683989 ILNDKQPRKOFSGP-CQSZACIVSA-N 320.349 -0.016 30 20 DBED C=CCOCC(=O)NC[C@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]2C(=O)O)C1 1588851039 QIHSQINGPWIQRQ-KKOKHZNYSA-N 310.350 -0.079 30 20 DBED CN(CC(=O)NCC#N)C[C@@H](O)c1cccc(-c2nn[nH]n2)c1 1591038694 LODPWHOPJRQNLS-GFCCVEGCSA-N 315.337 -0.528 30 20 DBED CCOC(=O)c1cnn(CCS(=O)(=O)CC(=O)O)c1C#N 1591268650 JXENOEQMFYCVFD-UHFFFAOYSA-N 315.307 -0.569 30 20 DBED C[C@@H](NC(=O)NCC(=O)NCC#N)c1ncc(C(=O)O)s1 1593081011 FEGZVHXMCBWHEB-ZCFIWIBFSA-N 311.323 -0.159 30 20 DBED CN(CCOCCNC(=O)C#CC1CC1)C(=O)[C@H]1C[C@H]1C(=O)O 1598498143 ROLHTPSONDVSLM-QWHCGFSZSA-N 322.361 -0.288 30 20 DBED N#Cc1ccc([C@@H](O)C(=O)OCC(=O)NCCC(=O)O)cc1 1601096396 UTUFNAGOAVPFAV-CYBMUJFWSA-N 306.274 -0.274 30 20 DBED C[C@@]1(C(=O)O)CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)C1 1603308364 KXTQPADWJFLVOL-MWLCHTKSSA-N 303.340 -0.748 30 20 DBED N#Cc1csc(CNC(=O)N2C[C@@H](C(=O)O)C[C@@H](O)C2)n1 1608222849 YBTAWVJNACPQDT-IONNQARKSA-N 310.335 -0.008 30 20 DBED COC(=O)CN(CC#N)C(=O)c1ncc(-c2nn[nH]n2)cc1C 1609299212 DDMGGVIRLUYXQG-UHFFFAOYSA-N 315.293 -0.291 30 20 DBED CC(=NNCC(C)(C)S(C)(=O)=O)c1cn(CC(=O)O)nn1 1609645766 LNSWXCIMZSYBIT-UHFFFAOYSA-N 317.371 -0.501 30 20 DBED N#Cc1ccc(OC[C@H](O)CN2C[C@@H](O)C[C@@H]2C(=O)O)cc1 1610629644 WKLPVBBNEFTCRN-OUCADQQQSA-N 306.318 -0.182 30 20 DBED C=CCCN[C@@H](C)CCNC(=O)c1cn(C)c(=O)n(C)c1=O 1733906120 OLYKNTANQHJEOH-NSHDSACASA-N 308.382 -0.242 30 20 DBED COCC#CCN[C@H](C)CNC(=O)[C@H](OC)c1cnn(C)c1 1752890454 OECPWJMJFSKZLM-TZMCWYRMSA-N 308.382 -0.148 30 20 DBED C[C@H](OCC1CC1)C(=O)NC[C@H]1CCN(CC(=O)NCC#N)C1 1753122809 NELJIIDVCKFJSK-GXTWGEPZSA-N 322.409 -0.121 30 20 DBED C#CCNC(=O)[C@H](C)N(C)CCN(C)C(=O)Cn1nccc1C 1753864607 QNHRJRINOVZIHG-AWEZNQCLSA-N 319.409 -0.280 30 20 DBED C[C@@H](CCNCCCN1C(=O)CNC1=O)NC(=O)[C@H](C)C#N 1753953498 OFTXWTLCLIHFTN-MNOVXSKESA-N 309.370 -0.428 30 20 DBED C[C@@H](CN(C)CC(=O)NCC#N)NC(=O)c1cccn(C)c1=O 1754330991 MLTTUBWGJPSZSU-NSHDSACASA-N 319.365 -0.925 30 20 DBED C=CCNC(=O)CNCCCN(C)C(=O)[C@@]1(C)CCC(=O)NC1 1754390986 KWINUXXDWOSPSQ-INIZCTEOSA-N 324.425 -0.357 30 20 DBED COCC#CCN1CC[C@H]1CNC(=O)CCN1CCCC1=O 1754502575 LRTAZRSGGWAIAH-AWEZNQCLSA-N 307.394 -0.161 30 20 DBED C=CCNC(=O)CNC[C@@H]1CCCN1C(=O)c1cncnc1 1754608960 JJXOOGCWEUXRMD-ZDUSSCGKSA-N 303.366 -0.027 30 20 DBED C=CCNC(=O)[C@H](C)N1CC(O)(CNC(=O)c2ccon2)C1 1754765271 HFDMJEWMGVYDCG-JTQLQIEISA-N 308.338 -0.858 30 20 DBED Cc1noc2ncc(C(=O)NCC3(O)CN(CC#N)C3)cc12 1754771755 LPWRBWRANYVJHI-UHFFFAOYSA-N 301.306 -0.169 30 20 DBED CCc1cc(C(=O)N(CCO)CCNCC#CCOC)n[nH]1 1754876569 MDOAEAZXMSSBKW-UHFFFAOYSA-N 308.382 -0.354 30 20 DBED C#CCNC(=O)CNCCN(CCO)C(=O)[C@@H]1CCC[C@H](C)C1 1754890396 QHJCARDXZXNDDP-LSDHHAIUSA-N 323.437 -0.027 30 20 DBED CC1(NCC(=O)NCC#N)CCN(C(=O)c2csnn2)CC1 1755132237 SSAWPNFZJHVJAZ-UHFFFAOYSA-N 322.394 -0.238 30 20 DBED C[C@H]1C[C@H](NC(=O)c2ccnnc2)CCN1CC(=O)NCC#N 1755163208 FDHRXDTWPQUUOZ-WCQYABFASA-N 316.365 -0.301 30 20 DBED C#CCCN1CC(CCO)(NC(=O)[C@@H]2CC(=O)N(CC)C2)C1 1755334005 RCAPHSLXHYGKDA-CYBMUJFWSA-N 307.394 -0.569 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(CNC(=O)c3nc[nH]n3)[C@@H]2C1 1755429590 IRWKTAUZEDOKFM-QWRGUYRKSA-N 304.354 -0.986 30 20 DBED C=CCNC(=O)[C@H](C)N[C@H](CO)CNC(=O)c1c(C)ccn1C 1755625348 JHHSVKFWGMNMGO-STQMWFEESA-N 322.409 -0.295 30 20 DBED C=CCN1CC[C@H](N[C@@H](CO)CNC(=O)C2CC=CC2)C1=O 1755626440 GYCMENCDCROYTE-KGLIPLIRSA-N 307.394 -0.194 30 20 DBED C#CCCN[C@@H](CO)CNC(=O)c1cn2c(n1)C[C@H](OC)CC2 1755631781 LGUMUHMQOJNPPA-CHWSQXEVSA-N 320.393 -0.452 30 20 DBED C[C@H]1C[C@H](NCC(=O)NCC#N)CN1C(=O)c1ccns1 1755676139 NTYDUEZBLLNFMW-UWVGGRQHSA-N 307.379 -0.025 30 20 DBED C#CCN1CCC(C(=O)N[C@H]2CC[C@@H](CNCC(N)=O)C2)CC1 1755749226 GNLKPFPVXHKUOZ-HIFRSBDPSA-N 320.437 -0.309 30 20 DBED C=CCOCC(=O)N1CC([C@H](C)NC(=O)C[C@@H]2CCNC2=O)C1 1756144043 AGRYWMWZDUELBP-RYUDHWBXSA-N 323.393 -0.322 30 20 DBED C[C@H](C#N)C(=O)NCCCOCCNC(=O)c1cc[n+]([O-])cc1 1756395453 VZLAQNKBPJASPD-GFCCVEGCSA-N 320.349 -0.268 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](NC(=O)COC)CC[C@@H]1C 1756786291 DRXNIKQVLYCSGB-RYUDHWBXSA-N 309.366 -0.732 30 20 DBED COC(=O)CCN(C)S(=O)(=O)N[C@H](CCC#N)C(=O)O 1777104639 IFHKTQLRZJWCPE-MRVPVSSYSA-N 307.328 -0.927 30 20 DBED C=CCC(=O)N1CC[C@]2(C1)CN(C(=O)C1=NNC(=O)C1)CCO2 1783916631 XQUGJOCKNQVIEK-HNNXBMFYSA-N 320.349 -0.732 30 20 DBED N#CCC(=O)N1CC2(CCCN2C(=O)c2cc(CO)on2)C1 1844819746 CVOMPUWVBNTVNW-UHFFFAOYSA-N 304.306 -0.102 30 20 DBED C#CCCC(=O)N1CC2(CCCN2C(=O)Cn2nccn2)C1 1845266944 LDBKXFXPNAKUAB-UHFFFAOYSA-N 301.350 -0.105 30 20 DBED C=CCC(=O)N1CCCC12CN(C(=O)CN1C(=O)C=CC1=O)C2 1846378316 WNDBYHHQGSLCJT-UHFFFAOYSA-N 317.345 -0.309 30 20 DBED C/N=C(/NCCS(=O)(=O)N1CCSCC1)NCC1CC1 86095423 OVIKQFDNYZIAHF-UHFFFAOYSA-N 320.484 -0.060 30 20 DBED Cn1cc(S(=O)(=O)N[C@H](C#N)C(C)(C)C)c(=O)n(C)c1=O 156676468 SLZLONOZXNNOPR-SECBINFHSA-N 314.367 -0.699 30 20 DBED COC(=O)CCN(C)S(=O)(=O)N1CCN(CCC#N)CC1 158766411 MCBZTZPVTJLNAU-UHFFFAOYSA-N 318.399 -0.743 30 20 DBED C#CC[C@@H](NS(=O)(=O)c1cc(C(=O)NC)n(C)c1)C(=O)O 159576461 AHXJNOMKMIUCGM-SECBINFHSA-N 313.335 -0.861 30 20 DBED C/N=C(/NC[C@@H]1CN2CCN1CC2)N[C@@H]1CN(C2CC2)C[C@H]1C 261664640 BFJWHUNCGBZNRE-FVQBIDKESA-N 320.485 -0.366 30 20 DBED N#Cc1nccnc1N1CCN(C(=O)CN2CCOCC2)CC1 263914321 SUUSXWVFPXLZNI-UHFFFAOYSA-N 316.365 -0.671 30 20 DBED C=C[C@H](CO)NS(=O)(=O)N1CCN(C(=O)OCC)CC1 290276938 VAEWMTHKBHFKGL-SNVBAGLBSA-N 307.372 -0.858 30 20 DBED C=C[C@@H](CO)Nc1nc(NCCOC)nc(N[C@@H](C=C)CO)n1 291255336 YQURSAPSLAHJSO-QWRGUYRKSA-N 324.385 -0.153 30 20 DBED C=CCN(C(=O)[C@@H]1CN(C)CCO1)[C@@H]1CCS(=O)(=O)C1 328824464 RMWDPTAKHPXAEJ-NEPJUHHUSA-N 302.396 -0.481 30 20 DBED CN(C)c1ncc(N/C(O)=N/CC(=O)N2CCOCC2)cn1 329227209 HZGGQZRUKKSAQT-UHFFFAOYSA-N 308.342 -0.273 30 20 DBED C[C@@H]1CN(C(O)=Nc2nccn(C)c2=O)C[C@@H]1N1CCOCC1 329399925 AXCVGQHPZUTBJU-NEPJUHHUSA-N 321.381 -0.022 30 20 DBED CC(C)N1CC[C@H](/N=C(/O)N2CCN3C(O)=NC[C@@H]3C2)C1=O 329787706 YYLZWVNGYTXGQQ-MNOVXSKESA-N 309.370 -0.177 30 20 DBED C[C@@H](C/N=C(/O)CN1CCOCC1=O)CN1CCN(C)CC1 329820720 AGMOJZGKWGPTRX-ZDUSSCGKSA-N 312.414 -0.315 30 20 DBED C[C@@H]1CN(S(=O)(=O)CC2(C#N)CC2)CCS(=O)(=O)C1 330355793 QXJKIZJIUKFDSM-SNVBAGLBSA-N 306.409 -0.014 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC(N(C)CCO)CC1 330422611 QOARYRXKVLQNKF-LBPRGKRZSA-N 318.443 -0.146 30 20 DBED CCC[C@H]1CN(S(=O)(=O)N2CCO[C@H](C#N)C2)CCO1 336941769 JXXGMZXUYXXLQW-NWDGAFQWSA-N 303.384 -0.044 30 20 DBED CN1[C@H]2CC[C@H]1CN(S(=O)(=O)N1CCO[C@@H](C#N)C1)CC2 337086410 FBWVARWVGGGLPX-AVGNSLFASA-N 314.411 -0.376 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1CCN(C)C(=O)[C@@H]1C 337191258 SHQPHSXKWCZLCM-NSHDSACASA-N 318.399 -0.744 30 20 DBED COC(=O)C[C@]1(NS(=O)(=O)N(C)[C@@H](C)CC#N)CCOC1 337753874 AOBXWNSJVZWQRJ-CMPLNLGQSA-N 319.383 -0.223 30 20 DBED N#CCNC(=O)CNC(=O)CN1CCc2ccccc2C1=O 343503451 FWCGDFBQXGEKED-UHFFFAOYSA-N 300.318 -0.559 30 20 DBED C=CCN(CCOC)C(=O)C(=O)NCc1ccnc(N(C)C)n1 344591855 BUCUQSMUSDWBRW-UHFFFAOYSA-N 321.381 -0.180 30 20 DBED C=CCNC(=O)CNC(=O)CN(C)C(=O)[C@H](C)n1cccn1 347889875 GOHITQFGTFDIAH-NSHDSACASA-N 307.354 -0.679 30 20 DBED CN(C)S(=O)(=O)CCCS(=O)(=O)N(C)C(C)(C)C#N 349569023 AWHBPPLDGXLOKZ-UHFFFAOYSA-N 311.429 -0.168 30 20 DBED C=C[C@H](CO)NS(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1 349781279 DYQVCHFJKUSQNU-SECBINFHSA-N 301.368 -0.448 30 20 DBED C=CCOC[C@H](NC(=O)[C@@H]1CCc2nncn2C1)C(=O)OC 352598764 YYVFDQAZJMHVHB-MNOVXSKESA-N 308.338 -0.299 30 20 DBED CCN(CC)S(=O)(=O)CCNC(=O)c1cnn(C)c1C#N 355796623 QXPIHSXWNCUDCD-UHFFFAOYSA-N 313.383 -0.307 30 20 DBED Cn1c(N[C@@H]2CCN3CCC[C@@H]3C2)c(C#N)c(=O)n(C)c1=O 363108751 XTWXABBTZITTHG-GHMZBOCLSA-N 303.366 -0.006 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCN2C(=O)OC[C@@H]2C1 374463287 UHDFGTPWWLAYNQ-MNOVXSKESA-N 316.383 -0.151 30 20 DBED Cc1ncc(S(=O)(=O)N(CC(=O)O)CC(=O)O)cc1C#N 386848495 WXYPOGFKTCJPTA-UHFFFAOYSA-N 313.291 -0.578 30 20 DBED CCN(CCC#N)S(=O)(=O)N1C[C@H](C)N(CCO)[C@H](C)C1 451886318 DBGMFAWSESJTOK-BETUJISGSA-N 318.443 -0.146 30 20 DBED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)C(=O)OC)c1 490614697 BJVWAWOZFWMBFX-JTQLQIEISA-N 324.358 -0.111 30 20 DBED C#CCN(CC#CC)C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 490687599 CYMJXMSHRWDSQW-UHFFFAOYSA-N 317.370 -0.031 30 20 DBED C#CCNC(=O)CCNCCCN1C(=O)NC2(CCCC2)C1=O 491780029 HWTRHGFOOLZCCR-UHFFFAOYSA-N 320.393 -0.030 30 20 DBED N#Cc1ccc(S(=O)(=O)NC[C@@H](O)Cn2ccnn2)cc1 517175677 IPECASKZVFJRLT-LLVKDONJSA-N 307.335 -0.511 30 20 DBED CC(C)(C)NS(=O)(=O)CCNS(=O)(=O)CCCC#N 518454610 BGSNOTYWKSHCTH-UHFFFAOYSA-N 311.429 -0.073 30 20 DBED CN1C[C@@H](NC(=O)N(C)CCCc2[nH]nc(N)c2C#N)CC1=O 542830042 SKXWRPZWXICHAQ-VIFPVBQESA-N 319.369 -0.332 30 20 DBED COC(=O)CNC(=O)CNC(=O)COc1ccc(C#N)cc1 556788174 WHKSBHRGHHDYCW-UHFFFAOYSA-N 305.290 -0.658 30 20 DBED C=CCCOCCNC(=O)C(=O)NC[C@H](C)S(C)(=O)=O 557722779 JXAUZPJGBHXQMA-JTQLQIEISA-N 306.384 -0.755 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@H]3OCC[C@@H]3C2)C1=O 565028110 ISQQEUJUQUOMFK-MNOVXSKESA-N 321.333 -0.399 30 20 DBED C=CCn1cc(CNC(=O)Cn2c(C)cc(C)nc2=O)nn1 569687609 YFROKDBENHCYER-UHFFFAOYSA-N 302.338 -0.046 30 20 DBED C=CCCC[C@H](C)NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 579253772 JYXCWWLGTOYZKQ-RWMBFGLXSA-N 322.409 -0.382 30 20 DBED N#CC1CN(C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)C1 590121154 NUDJGRPHZWGXSQ-UHFFFAOYSA-N 318.337 -0.271 30 20 DBED N#CCc1ccc(OC[C@H](O)CN[C@]2(C(N)=O)CCOC2)cc1 594035405 LOGCFHDKRHEDAB-CZUORRHYSA-N 319.361 -0.274 30 20 DBED C[C@@H](CN(C)CCCN(C)C)NS(=O)(=O)N(C)CCC#N 594804318 WTWCGRDXIXVIEP-ZDUSSCGKSA-N 319.475 -0.062 30 20 DBED CN(C)S(=O)(=O)NCC(=O)NCc1ccc(C#N)c(F)c1 597750415 DXJWFYNGPRQHAE-UHFFFAOYSA-N 314.342 -0.290 30 20 DBED N#CC1(CS(=O)(=O)NCCCN2CCC[C@H]2C(N)=O)CC1 599395160 BCWDMSFCISVDBV-NSHDSACASA-N 314.411 -0.451 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@H](C)[C@H](CO)C2)C1=O 622227010 DMPKXHJLVGVZGD-MNOVXSKESA-N 323.349 -0.560 30 20 DBED N#C[C@H]1CN(S(=O)(=O)c2ccc(-c3nn[nH]n3)nc2)CCO1 737684339 OQUKDUZAVSXVJE-QMMMGPOBSA-N 321.322 -0.825 30 20 DBED COCCN(C)C(=O)C(=O)NCCNc1ncccc1C#N 787755198 JQSRRYOSQKCROR-UHFFFAOYSA-N 305.338 -0.414 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)COCc1ccnn1C 792499203 USMYNILDKFUUJY-JTQLQIEISA-N 324.337 -0.120 30 20 DBED C[C@H](C#N)OCCOC(=O)C1CCN(S(N)(=O)=O)CC1 801820858 OPQRHAWNOLMVLU-SECBINFHSA-N 305.356 -0.626 30 20 DBED CC(=O)N1C[C@H](C(=O)NCC(=O)NCC#N)Oc2ccccc21 804821031 CCCKFKSRJKWBLG-CYBMUJFWSA-N 316.317 -0.444 30 20 DBED N#Cc1ccc(C(=O)OCCn2ncc(-c3nn[nH]n3)c2N)[nH]1 826385151 ZNIMAPKNGZUSAY-UHFFFAOYSA-N 313.281 -0.298 30 20 DBED CS(=O)(=O)Nc1cccc(CC(=O)N[C@@H]2CNC[C@@H]2C#N)c1 834485361 VPPZXMHCBBFQCN-WCQYABFASA-N 322.390 -0.172 30 20 DBED CN(C)S(=O)(=O)N1CCN(C(=O)C#CC(C)(C)C)CC1 837332873 RTKXQSWDHUUMBS-UHFFFAOYSA-N 301.412 -0.014 30 20 DBED C#CCSCCNC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1OC 852137808 XKLZUPJXXIVXCX-NXEZZACHSA-N 306.409 -0.536 30 20 DBED C#CC[C@@H](CO)NC(=O)C1(C(=O)N[C@@H](CO)CC#C)CCC1 854545284 FKTXIDGTXJFSAT-BETUJISGSA-N 306.362 -0.843 30 20 DBED CS(C)(=O)=NS(=O)(=O)N1CCN(C(=O)CC#N)CC1 854833789 VDFNJYUBZMUODB-UHFFFAOYSA-N 308.385 -0.983 30 20 DBED Cn1ncc(S(=O)(=O)NCC#CCO)c1Br 867467716 OLXDJQIDMFOGJY-UHFFFAOYSA-N 308.157 -0.543 30 20 DBED C#CCN1CCC[C@H](NC(=O)[C@H](C)NS(=O)(=O)CC)C1 923559093 FBCPTMGELXQCEV-RYUDHWBXSA-N 301.412 -0.472 30 20 DBED C#CCN(CC(=O)NC1CCN(S(C)(=O)=O)CC1)C(C)C 932382777 BSNMZSFVOIYNLD-UHFFFAOYSA-N 315.439 -0.130 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1C 940379713 ROVYXOCOAQWJFW-KKOKHZNYSA-N 309.366 -0.584 30 20 DBED CO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1NC(=O)Cc1nnc(C)o1 941687968 YSVXVTNGXXZDMG-JMJZKYOTSA-N 321.337 -0.578 30 20 DBED CCN(C(=O)[C@@H]1CNC(=O)N1)[C@H]1CCN(C(=O)C#CC2CC2)C1 942950783 RDMYBBDPNPNIFI-STQMWFEESA-N 318.377 -0.469 30 20 DBED C#Cc1cncc(C(=O)NC[C@@H]2CCC[C@@H]2NC(=O)C(N)=O)c1 946299137 PUGRTKCOLJDEIS-AAEUAGOBSA-N 314.345 -0.437 30 20 DBED CNC(=O)CN1CCOC2(CCN(C(=O)C#CC3CC3)CC2)C1 949358109 BOEKXJCQSPQYLB-UHFFFAOYSA-N 319.405 -0.161 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2CCN2C(=O)[C@@H]2CCCO2)nn1 950047554 KHNRBTOGOIFGJT-AAEUAGOBSA-N 319.365 -0.026 30 20 DBED CCN(C(=O)[C@@H]1CCc2nnc(O)n2C1)C1CN(CC#N)C1 950653062 CUOSDCBLAOOJGM-SNVBAGLBSA-N 304.354 -0.398 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H]1CNC(=O)c1ccc(=O)n(C)n1 956191038 WNMHKBNRWWOIEQ-QWRGUYRKSA-N 317.349 -0.339 30 20 DBED CC#CCN1C[C@H](CNC(=O)c2cnn3ccncc23)[C@@H](O)C1 958145593 NRAABDQPQRTSRL-WFASDCNBSA-N 313.361 -0.225 30 20 DBED C#CCCN1C[C@H](CNC(=O)c2cnn(CCF)c2)[C@@H](O)C1 958196290 SUOSHDSCFZUILF-JSGCOSHPSA-N 308.357 -0.102 30 20 DBED Cn1nc(C(=O)NC[C@H]2CN(CC#N)C[C@@H]2O)cc1C(F)F 958263035 MMDOSKVZKHGKTN-KWQFWETISA-N 313.308 -0.096 30 20 DBED C=C(C)CN1C[C@H](CNC(=O)c2ccoc2CC(N)=O)[C@@H](O)C1 958350973 WNOIMMHDWVPLNC-AAEUAGOBSA-N 321.377 -0.094 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cccc(NC(N)=O)c2)C1 958658272 XHWHJNXNNKUDLB-GXTWGEPZSA-N 316.361 -0.167 30 20 DBED C#CCN1C[C@@H]2C(NC(=O)c3coc(S(C)(=O)=O)c3)[C@H]2C1 960001182 JVUFHYHZZXMUNY-QWRGUYRKSA-N 308.359 -0.024 30 20 DBED C=CCN1CC[C@H](N(C)C[C@H]2CCCN2C(=O)CC(N)=O)C1=O 960496714 GJLCUVPWUSRNSP-OLZOCXBDSA-N 322.409 -0.429 30 20 DBED C#CCCN1C[C@H]2C(NC(=O)Cn3ccc(O)nc3=O)[C@@H]2C1 960868985 ZVYJCKBSZZGHMW-GHMZBOCLSA-N 302.334 -0.981 30 20 DBED C#CCN1CC[C@H]([C@H]2CCCN(C(=O)Cn3cnnn3)C2)C1 961104562 OYZULOPWQVHXHY-KBPBESRZSA-N 302.382 -0.133 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CN(C(=O)[C@H]3COCCN3C)C[C@H]2C1 961409487 JHOPQELJWSKPGF-IGQOVBAYSA-N 320.393 -0.607 30 20 DBED C#CCN1C[C@H]2[C@H](NC(=O)[C@H]3CCc4nnnn4CC3)[C@H]2C1 961843581 CACSBZDKFDQQCS-CIQGVGRVSA-N 300.366 -0.695 30 20 DBED N#CCN1C[C@H]2[C@H](NC(=O)C[C@@H]3CCCS(=O)(=O)C3)[C@H]2C1 962229023 PDOUFJIBLXXBES-CIQGVGRVSA-N 311.407 -0.229 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)c2ccc(F)cn2)C1 962411294 RKKYMSHSZWVZRE-FXAINCCUSA-N 306.297 -0.318 30 20 DBED C=C(C)C(C)(C)C(=O)N1C[C@H](O)[C@H](NC(=O)c2cn(C)nn2)C1 962693695 MTPSNRYJCYVBKY-PWSUYJOCSA-N 321.381 -0.281 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)[C@@H]1[C@H]2COC[C@H]21 964317245 MPROOGIOPLYLAB-KVSVUVNWSA-N 307.350 -0.618 30 20 DBED COc1c(O)nc(O)nc1C(=O)N1CC[C@@H](N(C)CC#N)C1 972722087 VPMXIJKYTYRBBF-MRVPVSSYSA-N 307.310 -0.434 30 20 DBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)C(N)=O)C1 974175026 UWISPTWVMQPVEY-USZNOCQGSA-N 309.366 -0.394 30 20 DBED CC#CCN1C[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C(C)(C)C1 974598864 KBLLMFRAJOCQGU-NSHDSACASA-N 318.381 -0.773 30 20 DBED Cn1ncc(C(=O)NC[C@H]2CCN(C(=O)C#CC3CC3)C2)n1 982741711 ITADEQQRPZEEEU-GFCCVEGCSA-N 301.350 -0.193 30 20 DBED C[C@@H]1C[C@@H](NCCN2C(=O)CNC2=O)CN1C(=O)C#CC1CC1 988812325 MLPZHYSPOVHOKR-DGCLKSJQSA-N 318.377 -0.469 30 20 DBED C#Cc1ccc(C(=O)N2CC(NC(=O)[C@H](C)n3cncn3)C2)cn1 990916482 YSTGZMLLAJJKNX-NSHDSACASA-N 324.344 -0.144 30 20 DBED C=C[C@](C)(CC)C(=O)N1CC(NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 991559053 WUNXHEVSXPPCMA-ZUZCIYMTSA-N 322.365 -0.486 30 20 DBED C#CCN1CCC[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)[C@H]1C 993916162 KPYBKJIBOBMXBX-DGCLKSJQSA-N 318.377 -0.700 30 20 DBED CC(=O)N1CCC[C@@H](C(=O)NC2CN(C(=O)[C@@H](C)C#N)C2)C1 995428628 UKCLCQYIBCLHOM-CMPLNLGQSA-N 306.366 -0.268 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](NCc2nnn(C)n2)C1 1000232138 NJVVNZDKKAXTAK-UPJWGTAASA-N 320.397 -0.118 30 20 DBED N#Cc1c[nH]c(C(=O)N2CCN(C(=O)[C@H]3CCNC3=O)CC2)c1 1010925510 RSLNSJYMWLEFRY-NSHDSACASA-N 315.333 -0.693 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2C(NC(=O)c3cnn(C)c3N)[C@H]2C1 1012987215 IAKBBJZWBNIKAQ-JEZHCXPESA-N 302.338 -0.651 30 20 DBED CC#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1nc(C)n(C)c1=O 1018226270 DZZRVOMFAYLKEI-OKILXGFUSA-N 317.393 -0.411 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H](NCc2nc(O)n[nH]2)C1 1022736809 CZOBPDPIGJUZBT-YTWAJWBKSA-N 307.354 -0.162 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2CC[C@H](C1)N2CC(N)=O 1029342208 BXEXREXPENZCFA-MJBXVCDLSA-N 304.394 -0.756 30 20 DBED CC#CCN1[C@H]2CC[C@H]1CN(C(=O)c1cn(C)c(=O)nc1O)C2 1029582552 XSYXNDRTDSUYTG-RYUDHWBXSA-N 316.361 -0.202 30 20 DBED Cn1nnc(C(=O)NC2CN(Cc3cc(F)ccc3C#N)C2)n1 1030803936 IZNHOMBCKBEZEJ-UHFFFAOYSA-N 315.312 -0.165 30 20 DBED C#CCOc1ncccc1C(=O)NC1CN([C@H]2CCNC2=O)C1 1031275870 CAMUJXYLUNMQAQ-ZDUSSCGKSA-N 314.345 -0.604 30 20 DBED Cn1cnc2nc(O)cc(C(=O)NCC3CN(CC#N)C3)c21 1031726096 JTCOPBGJIDXIPL-UHFFFAOYSA-N 300.322 -0.141 30 20 DBED Cn1nnnc1CN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C#N)c[nH]1 1032338556 YLCYSAPTEAIVEW-QWRGUYRKSA-N 312.337 -0.491 30 20 DBED C=C(Cl)CN1CC[C@@H](N(C)C(=O)[C@H]2CCS(=O)(=O)N2)C1 1033671962 RQRMGWMRPWLXJB-GHMZBOCLSA-N 321.830 -0.037 30 20 DBED N#Cc1ccc(C(=O)NC[C@H]2CN([C@@H]3CCNC3=O)CCO2)[nH]1 1035342110 JZGZNKBXJWAURH-WCQYABFASA-N 317.349 -0.795 30 20 DBED N#CCN1CCO[C@H](CNC(=O)c2ccc3nncn3c2)C1 1035549101 ISENQHHYCGIVGL-GFCCVEGCSA-N 300.322 -0.317 30 20 DBED C[C@@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)CCc2cn[nH]c2)C1 1040761356 CLAZVZIPNYCMGD-XHDPSFHLSA-N 319.365 -0.418 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(O)(CNC(=O)CCOC)C1 1041075198 QUKVRCVEOKDWJB-NEPJUHHUSA-N 312.366 -0.697 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@]2(CCN(Cc3nnnn3C)C2)C1 1041147622 UBANHSIKWIVJME-RISCZKNCSA-N 303.370 -0.206 30 20 DBED N#Cc1nccc(N2C[C@@H](O)[C@H](NC(=O)c3ccsn3)C2)n1 1041207556 RCMFJFPRHNVROV-NXEZZACHSA-N 316.346 -0.216 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)[C@@]34COC[C@@H]3C4)C2)cn1 1041402671 ZZNYGDRKWMQCJQ-YDEYXMKJSA-N 314.345 -0.345 30 20 DBED CC#CCCCC(=O)N1CC(O)(CNC(=O)[C@H]2CCCN2C)C1 1042104175 LXDRZYVOFBJHEO-CQSZACIVSA-N 321.421 -0.036 30 20 DBED CO[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2ccc(C#N)[nH]2)C1 1042608612 HSGUIRDIYPOCKQ-VIFPVBQESA-N 306.322 -0.776 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)c2c[nH]nc2C)C1 1042807047 NSPYWWVNPHLJBL-UHFFFAOYSA-N 304.350 -0.175 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(O)CN(C(=O)c2ccc[nH]2)C1 1042808707 BZEJKAAHSAGQAO-AWEZNQCLSA-N 307.350 -0.355 30 20 DBED C=CCCn1cc(C(=O)N(C)C2CN(CC(=O)N(C)C)C2)nn1 1044027175 ZUSPOWMRYAUUSS-UHFFFAOYSA-N 320.397 -0.301 30 20 DBED C=CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)c2cnco2)C1 1044131011 IGWNWZVNRYFZOA-SNVBAGLBSA-N 309.322 -0.431 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)CCCCN(C)C)C1 1044252245 ZPVDRNAXAUPVLL-GFCCVEGCSA-N 310.398 -0.433 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 1045554502 FJGBQZQYFWRTDW-KKOKHZNYSA-N 307.350 -0.597 30 20 DBED Cn1nnc(CN2CC[C@](C)(NC(=O)c3ccc(C#N)[nH]3)C2)n1 1046251779 TZVMBLHYUUODJI-AWEZNQCLSA-N 314.353 -0.196 30 20 DBED C#CCN1CC[C@@](C)(NC(=O)[C@@H]2CCc3nnc(O)n3C2)C1 1046432848 WZVHHESGOWXWNQ-IAQYHMDHSA-N 303.366 -0.240 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(C)c2OC)C1 1047610612 XKELMZKOTRKHOB-STQMWFEESA-N 306.366 -0.431 30 20 DBED C#CCOCCC(=O)N(C)[C@H]1CN(C(=O)COCC)C[C@@H]1O 1048844683 PWQIAFWROBGQGH-STQMWFEESA-N 312.366 -0.907 30 20 DBED C=CCCC(=O)N1CC[C@H]([C@H](C)NC(=O)Cn2ncnn2)C1 1050267273 AQLZCYSTEQNNIC-RYUDHWBXSA-N 306.370 -0.008 30 20 DBED C=CCOCC(=O)N1CC[C@H]([C@H](C)NC(=O)c2cnn(C)n2)C1 1050298160 SACWAKAFGNQXPL-RYUDHWBXSA-N 321.381 -0.016 30 20 DBED CC#CCN1CCOC[C@@H]1CNC(=O)C1CCN(C(N)=O)CC1 1051238296 KDYJRGAHUIQUSH-AWEZNQCLSA-N 322.409 -0.383 30 20 DBED C#CCOCCC(=O)N1C[C@@H](C)[C@@H](CNC(=O)c2nc[nH]n2)C1 1052599863 QDRHQAFSNQNMJS-NEPJUHHUSA-N 319.365 -0.331 30 20 DBED N#CCN1CC2(C1)CN(C(=O)C[C@H]1CCC(=O)NC1)CCO2 1053286138 WJHCJONBSSCWGP-GFCCVEGCSA-N 306.366 -0.661 30 20 DBED CC#CCN1CC2(CC[C@@H](CNC(=O)[C@H]3CCNC3=O)O2)C1 1053643003 RNKVRCMQHZNCDS-STQMWFEESA-N 305.378 -0.505 30 20 DBED COc1cncc(C(=O)NC[C@H]2CCC3(CN(CC#N)C3)O2)n1 1053673590 CYNRJAVHYMWKHE-LLVKDONJSA-N 317.349 -0.028 30 20 DBED C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1NCc1nnn(C)n1 1054574422 QWAKQQPXQWIFER-BXKDBHETSA-N 314.353 -0.340 30 20 DBED C#CCN[C@H]1CN(C(=O)c2ccc(S(N)(=O)=O)o2)C[C@H]1C 1054854503 VCNNAABSVGTAIF-ZJUUUORDSA-N 311.363 -0.390 30 20 DBED C=CCO[C@@H](C)C(=O)N1C[C@@H]2CN(C(=O)CNC(C)=O)C[C@@H]2C1 1055130524 RDKCKUWHYJACRE-FPMFFAJLSA-N 323.393 -0.370 30 20 DBED CO[C@@H](C)C(=O)NC1CCN(CCNC(=O)[C@@H](C)C#N)CC1 1055630189 WFNWVMSYIZPGSB-RYUDHWBXSA-N 310.398 -0.122 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@](CO)(NC(=O)c2cnn(C)c2)C1 1055753831 BOULSQLUKSSQFU-ABAIWWIYSA-N 319.365 -0.337 30 20 DBED C[C@@H](C(=O)N1CCN(c2cnc(C#N)cn2)CC1)n1cncn1 1055754043 KNIYTXDTYSQTQI-NSHDSACASA-N 312.337 -0.150 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@](CO)(NC(=O)Cn2ccnc2)C1 1055996522 FQAHRKUXWMIPLA-IUODEOHRSA-N 319.365 -0.488 30 20 DBED CN(c1cnc(C#N)cn1)[C@@H]1CCN(C(=O)Cn2ncnn2)C1 1056968310 XEVIJFDRPCVJDF-LLVKDONJSA-N 313.325 -0.928 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)[C@H]1C[C@@H]1C(=O)OC 1057177117 CVFDUBIBBHXWSY-RYUDHWBXSA-N 312.366 -0.301 30 20 DBED C=C(C)CCC(=O)NCCN(CCO)C(=O)c1cnn(C)c1N 1057405704 PGZZCLIOKALNGG-UHFFFAOYSA-N 323.397 -0.091 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)c1cn(C)cn1 1057516970 FTLNCJSBWOIBEN-UHFFFAOYSA-N 306.366 -0.370 30 20 DBED Cn1cc(C(=O)N2[C@H]3CC[C@H]2CN(c2ccc(C#N)nn2)C3)nn1 1058753094 BLJAGUGXXCKFDQ-RYUDHWBXSA-N 324.348 -0.030 30 20 DBED C[C@@H](C#N)C(=O)NCC[C@H]1CCN(C(=O)CC(=O)N(C)C)C1 1059666548 MMNTVYYMAASGKL-RYUDHWBXSA-N 308.382 -0.021 30 20 DBED CC#CCCCC(=O)N1CCOC[C@@H]1CNC(=O)CC(=O)NC 1061524984 PHVLTMKNUWFQBC-ZDUSSCGKSA-N 323.393 -0.340 30 20 DBED CC(C)C#CC(=O)N1CCOC[C@@H]1CNC(=O)c1ncn(C)n1 1061553244 XZHZEQWDDPBNPE-LBPRGKRZSA-N 319.365 -0.568 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)c1cnccn1 1061845480 IENJGOYMTTVSNC-MNOVXSKESA-N 303.322 -0.407 30 20 DBED N#Cc1nccnc1N1CC[C@H]2CN(C(=O)CC(N)=O)CC[C@@H]21 1064002121 ZSGZXGOAXKIRBV-JQWIXIFHSA-N 314.349 -0.349 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@H](CNC(=O)Cc2ccon2)C1 1065555830 AIUKSMKLKMQPGC-CMPLNLGQSA-N 306.322 -0.280 30 20 DBED C[C@@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1Nc1nccnc1C#N 1067149232 QXYRZSMENROZPI-KOLCDFICSA-N 313.325 -0.706 30 20 DBED N#Cc1cnccc1N1C[C@H](CNC(=O)c2ccnnc2)[C@@H](O)C1 1067693354 LLVHOCBYDGYVOQ-ZFWWWQNUSA-N 324.344 -0.030 30 20 DBED C[C@@H]1[C@H](Nc2nccnc2C#N)CCN1C(=O)c1nnn(C)n1 1068928718 QIICXQOCCGIFCZ-RKDXNWHRSA-N 313.325 -0.413 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2csnn2)C1 1069989458 URUOTASAFULSIA-KOLCDFICSA-N 305.367 -0.029 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2ccnc(C)n2)C1 1070098889 YFHVKSYNACOXHY-KGLIPLIRSA-N 311.349 -0.335 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)[C@H]2CCNC2=O)CCOCC1 1070233913 IEXJDQSUHAPZOO-MNOVXSKESA-N 322.365 -0.936 30 20 DBED Cc1nccn1CC(=O)N1C[C@H](n2ccnn2)[C@H](NCC#N)C1 1070327740 FEAWHNOKXQWJTC-OLZOCXBDSA-N 314.353 -0.652 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)C2CN(C(C)=O)C2)CC1 1070958647 LTJINEUMIYXYKT-UHFFFAOYSA-N 322.409 -0.699 30 20 DBED CC#CCN1CCNC(=O)CCN(C(=O)Cc2cnc[nH]2)CC1 1071004490 ILLGKTKWCJMJQF-UHFFFAOYSA-N 317.393 -0.374 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CCN(C(=O)CCOC)C[C@@H]1C 1073891195 MYMLBZKVFZDGGT-STQMWFEESA-N 323.393 -0.484 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@@H]3OCCN(CCO)[C@H]3C2)c1 1074204839 IZNBVAWTUUBHBC-KBPBESRZSA-N 304.350 -0.206 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)c3cncnc3O)C[C@@H]21 1074276882 UZVVKKSOHWFVSM-STQMWFEESA-N 302.334 -0.269 30 20 DBED C#CCO[C@H](C)C(=O)NCC[C@H](C)NC(=O)CC(=O)N(C)C 1076510176 FZJBPUGKHHLMQL-NWDGAFQWSA-N 311.382 -0.486 30 20 DBED C[C@@H](CCNC(=O)CCN1CCOCC1)NC(=O)[C@H](C)C#N 1077394574 UXUAZEVVUUWWFH-OLZOCXBDSA-N 310.398 -0.121 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCN(C(=O)CC)C2)C1 1077953743 KXNMKBXHJJOAKG-MGPQQGTHSA-N 309.410 -0.018 30 20 DBED C#CCN[C@H]1C[C@@H](NC(=O)CN2CC(=O)NC2=O)C12CCC2 1078749334 LVOJQDBWWCZQQR-WDEREUQCSA-N 304.350 -0.812 30 20 DBED Cn1cc(C(=O)N[C@H]2C[C@H](NCC#N)C23CCC3)c(O)nc1=O 1078805227 DQRFIVDPDAQYFF-QWRGUYRKSA-N 317.349 -0.360 30 20 DBED C=CCCOCC(=O)N1CC(N(CC)C(=O)Cn2cnnn2)C1 1079288263 HTCWNBLMHXXFJN-UHFFFAOYSA-N 322.369 -0.675 30 20 DBED C=CCOCC(=O)N(CC)C1CN(C(=O)[C@@H](C)CC(N)=O)C1 1079493835 IRAWHYFZIMZQJA-NSHDSACASA-N 311.382 -0.240 30 20 DBED CCN(C(=O)C#CC1CC1)C1CN(C(=O)c2cnn(C)n2)C1 1079737154 YWHBUPNLDKKSOL-UHFFFAOYSA-N 301.350 -0.099 30 20 DBED C=CCOCC(=O)N1CC(N(CC)C(=O)C2(C(=O)NC)CC2)C1 1080080841 VPVMVLVGTFLITQ-UHFFFAOYSA-N 323.393 -0.226 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@H](CNC(=O)Cc2cc[nH]n2)C1 1081369486 XVOUCZIYHFFNET-OCCSQVGLSA-N 318.377 -0.453 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(C(=O)/C=C/C2CC2)C[C@@H]1O 1081488854 MPKXXRCEEGUMKB-MUHKLVGJSA-N 320.389 -0.072 30 20 DBED C=C(C)CCC(=O)NC[C@H]1CN(C(=O)CC(=O)NC)C[C@@H]1O 1081531513 TZVJZQULONAEIC-RYUDHWBXSA-N 311.382 -0.586 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)Cn2ccnc2)C1 1081580043 JBSFEXGKBYYZTL-UONOGXRCSA-N 318.377 -0.522 30 20 DBED C=C(C)CCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2cnn[nH]2)C1 1081590895 YJIRBNWNMVLBFH-ZYHUDNBSSA-N 307.354 -0.290 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)C(=O)N1CC[C@@H](C)C1 1083244364 TUMKSBTXVQFXKX-QLFBSQMISA-N 319.405 -0.210 30 20 DBED CC(=O)Nc1cccnc1C(=O)N[C@@H]1CN(CC#N)C[C@@H]1O 1083512073 XSDNWIPSNJCBLS-NEPJUHHUSA-N 303.322 -0.662 30 20 DBED CC#CCN1CC[C@@H]2CN(C(=O)c3cc(=O)n(C)cn3)[C@@H]2C1 1084420679 JJOQBJAOSNDTAQ-TZMCWYRMSA-N 300.362 -0.050 30 20 DBED C=C(C)CCN1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@H]1C 1088578970 GYXFIXLSSIZCOH-NEPJUHHUSA-N 320.397 -0.078 30 20 DBED C[C@H](C[C@@H](C)Nc1ccc(C#N)nn1)NC(=O)c1nnn(C)n1 1089450485 PEELFLLCHISBLC-RKDXNWHRSA-N 315.341 -0.119 30 20 DBED C=CCCN1CC[C@H](NC(=O)c2cc(=O)n(C)cn2)[C@@H](O)C1 1090336246 FRJSBSZBHDYZRZ-AAEUAGOBSA-N 306.366 -0.479 30 20 DBED C=CCN1CC[C@H](NC(=O)c2ccnc3c2CC(=O)N3)[C@H](O)C1 1090393437 KYLKGLVCNDZVSR-QWHCGFSZSA-N 316.361 -0.073 30 20 DBED N#CCSCC(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1O 1090394209 GMIGHPFBEUMQTM-NXEZZACHSA-N 318.362 -0.729 30 20 DBED Cc1nc(N2C[C@@H](O)[C@H](NC(=O)CCN(C)C)C2)ccc1C#N 1090524967 HRLQDMKNSUQHNO-ZIAGYGMSSA-N 317.393 -0.121 30 20 DBED C=C1CC(C)(C(=O)N[C@H]2CCN(Cc3nnn(C)n3)C[C@@H]2O)C1 1090553578 OKDGXWMQXIRDQK-RYUDHWBXSA-N 320.397 -0.382 30 20 DBED COC[C@H](OC)C(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@@H]1O 1091178122 TZYKXFDIUQXBFI-AGIUHOORSA-N 320.349 -0.720 30 20 DBED CNC(=O)NCC(=O)N[C@H]1CCN(c2nccnc2C#N)[C@@H]1C 1092058228 XZXWDWJLYFNVBT-ZJUUUORDSA-N 317.353 -0.639 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(c2nccnc2F)C[C@@H]1O 1092153253 FHCLHXUJKKXQDL-MNOVXSKESA-N 310.329 -0.126 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCN(c2ncc(F)cn2)C[C@H]1O 1092163712 GANRNLANZDEZEY-CHWSQXEVSA-N 322.340 -0.289 30 20 DBED COCCOCC(=O)NC1[C@H]2CN(c3nccnc3C#N)C[C@H]12 1093254896 UMDZGJIJXLPAAQ-QWRGUYRKSA-N 317.349 -0.438 30 20 DBED CC(C)[C@@H](O)C(=O)NC1[C@@H]2CN(c3ccc(C#N)nn3)C[C@@H]12 1093260523 MWXALWOAVJJEFE-JTNHKYCSSA-N 301.350 -0.084 30 20 DBED C#CCO[C@H](C)C(=O)NC1[C@H]2CN(c3ccc(C#N)nn3)C[C@H]12 1093309633 AABPQFRKDHUFFW-WXHSDQCUSA-N 311.345 -0.063 30 20 DBED N#Cc1cncc(NCCNC(=O)[C@@H]2CCCCN2C(N)=O)n1 1093855868 IAYSHGIBNZVRBQ-NSHDSACASA-N 317.353 -0.190 30 20 DBED CC(C)C(=O)N(C)CC(=O)NCCNc1ccc(C#N)nn1 1094187717 KGYGYNCJVBHQFI-UHFFFAOYSA-N 304.354 -0.009 30 20 DBED N#Cc1nc(=NCCCNC(=O)CCCn2ccnn2)cc[nH]1 1094615384 MTNFLLNSCFBYOW-UHFFFAOYSA-N 314.353 -0.240 30 20 DBED N#Cc1ccc(NCCCNC(=O)CN2CCOCC2=O)cn1 1094859770 FIGWCXFELOQDQI-UHFFFAOYSA-N 317.349 -0.270 30 20 DBED Cn1cnn(CC(=O)N2C[C@H]3C[C@@H](NCC#N)C[C@H]2C3)c1=O 1094950035 CQIMIFXSPXUJBD-QJPTWQEYSA-N 304.354 -0.926 30 20 DBED C=CCn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3[C@@H](C)C(N)=O)nn1 1096126713 IYFXMAJJTHOCLN-NOHGZBONSA-N 318.381 -0.327 30 20 DBED N#Cc1cnc(N[C@H](CNC(=O)[C@H]2CNC(=O)N2)C2CC2)cn1 1096800856 PLELSRQYIIRXEF-GHMZBOCLSA-N 315.337 -0.664 30 20 DBED C[C@H](CNC(=O)c1ccc(=O)n(C)n1)Nc1cnc(C#N)cn1 1097850947 IFSRDSONMXDDEC-SECBINFHSA-N 313.321 -0.328 30 20 DBED CN1C(=O)CC[C@@H]1CC(=O)N1CCC(N(CC#N)CCO)CC1 1098446360 UUDKRQWIXQVGIW-CQSZACIVSA-N 322.409 -0.194 30 20 DBED C=CCCC(=O)N1CC[C@H](n2cc(CNCC(N)=O)nn2)C1 1098638389 WWSHNAUDIDJOBL-LBPRGKRZSA-N 306.370 -0.407 30 20 DBED CC(C)[C@@H](O)C(=O)N1CC[C@H](n2cc(CNCC#N)nn2)C1 1098666886 JWFMQNOHTIRXRZ-QWHCGFSZSA-N 306.370 -0.318 30 20 DBED Cn1ncc(C(=O)N2CC[C@H](n3cc(CNCC#N)nn3)C2)n1 1098746183 RJTNQHXXRAOJBD-NSHDSACASA-N 315.341 -0.893 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)/C=C(/C)C2CC2)[C@H](O)C1 1099709786 NLCZGNXYNYTWEX-KOJAKUIZSA-N 319.405 -0.357 30 20 DBED CC(C)(C(=O)N[C@H]1CCN(CC(=O)NCC#N)C[C@@H]1O)C1CC1 1099952532 UYIDJPVGDZIFLE-STQMWFEESA-N 322.409 -0.386 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1CCN(CCOCCO)C[C@H]1O 1099959116 CJZDVCJOLGEWIZ-CHWSQXEVSA-N 300.399 -0.241 30 20 DBED C#CCN1CC[C@@H](NC(=O)C2(NC(C)=O)CCCC2)[C@@H](O)C1 1100031341 DDVSPBTWSOARBR-KGLIPLIRSA-N 307.394 -0.380 30 20 DBED COC[C@@]1(C(=O)NCCN(C)c2ccc(C#N)nn2)CCOC1 1100238737 PVIMBNMOQYCHOG-HNNXBMFYSA-N 319.365 -0.046 30 20 DBED C[C@@H]1CCN(CC(=O)NCC2CC(NCC(=O)NCC#N)C2)C1 1100678565 PBSXUVUYBZZVMW-IYXRBSQSSA-N 321.425 -0.548 30 20 DBED N#CCNC(=O)CNC1CC(CNC(=O)Cc2cscn2)C1 1100735132 QJDXOXXTDSECTI-UHFFFAOYSA-N 321.406 -0.190 30 20 DBED CCCN(CCNC(=O)CNC(C)=O)c1nccnc1C#N 1101078719 VUTAZHFXVZGIRY-UHFFFAOYSA-N 304.354 -0.183 30 20 DBED CN(CCNc1cncc(C#N)n1)C(=O)CN1C(=O)CCC1=O 1101609614 LZWSFVFXWZKBPY-UHFFFAOYSA-N 316.321 -0.632 30 20 DBED CC[C@@H](CNC(=O)C1=COCCO1)N=c1cc[nH]c(C#N)n1 1102978386 WGGOLLXEKXPQQD-JTQLQIEISA-N 303.322 -0.035 30 20 DBED C[C@@H](CNC(=O)[C@H]1COCCN1C)CNc1cncc(C#N)n1 1103922344 ACBBZWHPUDWBEZ-DGCLKSJQSA-N 318.381 -0.157 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)CCCC(N)=O 1104013746 AQOIAOGZVRBCKY-SNVBAGLBSA-N 304.354 -0.410 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)c1cnn(C)c1N 1104535016 IURBNSRTDRMWMN-VIFPVBQESA-N 314.353 -0.342 30 20 DBED C[C@H](CN=c1cc[nH]cc1C#N)N(C)C(=O)[C@H]1CN(C)C(=O)N1 1104766415 JIQWSBJONROOHJ-ZWNOBZJWSA-N 316.365 -0.342 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)[C@@]1(C)CCNC1=O 1104818574 BRYFRIPSLUFWFV-BMIGLBTASA-N 316.365 -0.445 30 20 DBED CC(C)[C@H](CNC(=O)Cn1ncnn1)N=c1cc[nH]c(C#N)n1 1105235194 VQPURWCLFGDLTH-JTQLQIEISA-N 315.341 -0.990 30 20 DBED N#Cc1nc(=NC[C@@H](O)CNC(=O)Cc2ccc[nH]2)cc[nH]1 1105863461 KWHHPYPDIHVZNF-LLVKDONJSA-N 300.322 -0.770 30 20 DBED C=CCOCCNC[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1C 1105889744 WCLZEHDYZCOCSD-CHWSQXEVSA-N 318.439 -0.082 30 20 DBED COCCO[C@H](C)C(=O)NC[C@H](O)CNc1ccc(C#N)nc1 1105963684 UHPMHZLZQOAAQA-BXUZGUMPSA-N 322.365 -0.106 30 20 DBED C[C@H](CC(F)F)C(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1 1106024089 LFDWPAPIDCPDLJ-RKDXNWHRSA-N 313.308 -0.050 30 20 DBED C[C@@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)[C@H]1CN(C)C(=O)N1 1106518776 FRSPEXKMADSPII-VHSXEESVSA-N 317.353 -0.900 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)CCCC(N)=O 1106789376 MZUSQLUZWHKITK-UHFFFAOYSA-N 304.354 -0.314 30 20 DBED C[C@@]1(C(=O)NC/C=C\CNc2ccc(C#N)nn2)CNC(=O)C1 1107421440 FNVGQFLXJFOZGJ-GWQWAINWSA-N 314.349 -0.041 30 20 DBED N#Cc1ccc(NC/C=C/CNC(=O)[C@H]2CNC(=O)N2)cn1 1107490342 ZWAFOHCSCHNJTE-YYRQZUAOSA-N 300.322 -0.281 30 20 DBED C[C@H](CNc1nccnc1C#N)NC(=O)c1cnn(C)c1N 1107690015 GWKCYDFLJXDHEL-MRVPVSSYSA-N 300.326 -0.106 30 20 DBED C[C@@]1(CNC(=O)C#CC2CC2)CN(CCOCCO)CCO1 1107933050 XJNSNXYXBGTHKS-MRXNPFEDSA-N 310.394 -0.384 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H](C)CN=c1cc[nH]c(C(=O)OC)n1 1107947725 CCVKYOWKZQIFFF-MNOVXSKESA-N 320.349 -0.360 30 20 DBED C[C@H](CC(=O)N[C@H](C)CN=c1cc[nH]cc1C#N)NC(N)=O 1107950520 MNYQCSBONKCIPO-NXEZZACHSA-N 304.354 -0.261 30 20 DBED C#CCOCCC(=O)N[C@@H]1CC(=O)N(C2CN(CC#CC)C2)C1 1108546041 MVVDALDMTUTTNG-CQSZACIVSA-N 317.389 -0.549 30 20 DBED Cc1cnoc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1109922812 PTNUPTZMIPOWPJ-WOPDTQHZSA-N 317.349 -0.042 30 20 DBED N#Cc1ccc(NC[C@@H](NC(=O)[C@@H]2CCNC2=O)C2CC2)nn1 1109946656 XQFBAUCBQMLQGA-VXGBXAGGSA-N 314.349 -0.209 30 20 DBED C[C@@]1(NC(=O)Cn2ncnn2)CCN(c2ccc(C#N)cn2)C1 1110786169 ODKUWJKFOAGXHJ-CQSZACIVSA-N 312.337 -0.275 30 20 DBED CN(C)CCC(=O)N(C)[C@H]1CN(c2ccncc2C#N)C[C@@H]1O 1111197920 YMJOSFHEIXMXPN-GJZGRUSLSA-N 317.393 -0.087 30 20 DBED N#Cc1cnc(NCCN(CCO)C(=O)[C@H]2CCOC2)cn1 1111446145 YVQUBYKJRAYVGK-NSHDSACASA-N 305.338 -0.382 30 20 DBED N#Cc1nc(=NCCN(CCO)C(=O)c2csnn2)cc[nH]1 1111532827 PELBIMHKXVUHFO-UHFFFAOYSA-N 319.350 -0.832 30 20 DBED CC(C)[C@@H](O)C(=O)NC[C@@H]1COCCN1c1ccc(C#N)nn1 1111682734 DQMHOEOGLQRJAE-TZMCWYRMSA-N 319.365 -0.313 30 20 DBED Cc1nsc(N2CCOC[C@@H]2CNC(=O)C(N)=O)c1C#N 1111715562 MGGRKWVQAZWUEZ-QMMMGPOBSA-N 309.351 -0.870 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCOCC2)CC1 1112806710 UPGODLKTQDTTHF-CYBMUJFWSA-N 308.382 -0.413 30 20 DBED COCC#CCN1CCN(C(=O)c2ccn3nnnc3c2)CC1 1113183424 OJFDKBHRSPSTPY-UHFFFAOYSA-N 314.349 -0.468 30 20 DBED C[C@@H](CNC(=O)CS(C)(=O)=O)N(C)c1cncc(C#N)n1 1113521548 XVLKRKHSZYHJOQ-VIFPVBQESA-N 311.367 -0.666 30 20 DBED N#Cc1ccc(CN2C[C@H]3[C@H](NC(=O)CNC(N)=O)[C@H]3C2)s1 1113850018 OPEOLYQDUFADFM-PJXYFTJBSA-N 319.390 -0.166 30 20 DBED Cc1cc(C(=O)NC2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]23)n[nH]1 1113948769 YICMODRLYNIQRW-NXEZZACHSA-N 302.338 -0.982 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)Cc3nnc(C)o3)[C@H]2C1 1114217888 XGZLDACJMVJGDE-HBYGRHMLSA-N 319.365 -0.731 30 20 DBED C#CCO[C@H](C)C(=O)NC1[C@H]2CN(CCn3cccn3)C[C@H]12 1114263524 WPOIHSUKJCXHNI-RDBSUJKOSA-N 302.378 -0.032 30 20 DBED C#CCN1C[C@@H]2C(NC(=O)CC3(CS(C)(=O)=O)CC3)[C@H]2C1 1114282530 AVXGNMTZENNNQK-RYUDHWBXSA-N 310.419 -0.119 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)CN3CC[C@H](C)C3)[C@H]2C1 1114832142 MDALRNLYFWXFOY-SZOQZIPDSA-N 320.437 -0.323 30 20 DBED C[C@@H](CN(C)C(=O)Cn1cncn1)Nc1ccc(C#N)nn1 1115728860 NLQKKLCASIMFHK-JTQLQIEISA-N 300.326 -0.101 30 20 DBED N#CCCCCN[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 1116345744 GGRWSSJTKAZTSS-QWHCGFSZSA-N 301.412 -0.232 30 20 DBED C[C@H](C#N)OCCOC(=O)Cn1cc(S(N)(=O)=O)cn1 1116934971 JWULGRODOGYADT-MRVPVSSYSA-N 302.312 -0.998 30 20 DBED C=CCn1cc(CNC(=O)N2CCO[C@H](C(=O)NC)C2)nn1 1118165866 FQQGEMNIASRBMG-NSHDSACASA-N 308.342 -0.880 30 20 DBED C=CCOCCn1nnnc1N1CCN(c2cnccn2)CC1 1120178501 BDQXNMROCCLPSH-UHFFFAOYSA-N 316.369 -0.008 30 20 DBED C=CCNC(=O)[C@@H](C)NC1CC2(CC(NC(=O)CC(N)=O)C2)C1 1120879285 SVHADWGDQKKGLH-CUMPHSRVSA-N 322.409 -0.431 30 20 DBED Cc1cc(C#N)nc(N[C@@H](CO)CNC(=O)c2ccn(C)n2)n1 1121580644 LIZFYVDGNCWUMO-LLVKDONJSA-N 315.337 -0.407 30 20 DBED C[C@H](CC(F)F)C(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1 1122267566 VGTJVVMQTCZLRL-RKDXNWHRSA-N 313.308 -0.050 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)CNC(=O)CCC)C1=O 1124311659 XLBPEOCJMKBWQQ-GFCCVEGCSA-N 310.398 -0.605 30 20 DBED CN(C[C@@H](O)CNc1ccc(C#N)nn1)C(=O)Cc1cnc[nH]1 1124787225 XGCXMPHRQQKANN-LBPRGKRZSA-N 315.337 -0.455 30 20 DBED COCCN(CCNC(=O)CC(N)=O)c1ncccc1C#N 1126254208 DHYBSMMFMROCJO-UHFFFAOYSA-N 305.338 -0.602 30 20 DBED CC#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H](C)COC)C1 1128806669 BHHCPSBREUEPKY-MJBXVCDLSA-N 305.382 -0.075 30 20 DBED CO[C@@H](C(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1)C1CCC1 1129139500 LEYNEPKTLFSJKY-HZSPNIEDSA-N 318.381 -0.042 30 20 DBED CC#CCN[C@@H]1CN(C(=O)[C@@H](C)NC(C)=O)C[C@@H]1n1ccnn1 1129552695 COODVPFDBAYBNS-BNOWGMLFSA-N 318.381 -0.833 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)c1cc2n(n1)CCCO2 1131191102 RDVJHYXTMSLGCL-NSHDSACASA-N 321.381 -0.324 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2C[C@@H]3CN(CC#C)C[C@]2(C1)O3 1131231393 ZLXJILTUQLQJQI-LJIGWXMPSA-N 302.374 -0.040 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)CS(=O)(=O)NC)CC[C@H]1C 1133337451 NSCYFHQRUZWAJO-CHWSQXEVSA-N 315.439 -0.367 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)C[C@@H](C)NCCn1cncn1 1134129950 ABZJMENXCHQLHZ-CHWSQXEVSA-N 320.397 -0.710 30 20 DBED C#CCOCCC(=O)N[C@H](C)C[C@@H](C)NCC(=O)NCC#N 1134372220 GPYINWNOZVBKIS-CHWSQXEVSA-N 308.382 -0.461 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1ncccc1OCC=C 1147290270 CEXCSIHTLAFXQZ-UHFFFAOYSA-N 316.361 -0.285 30 20 DBED C#CCOCCC(=O)NC[C@H]1CN([C@H](C)C(N)=O)CCCO1 1149721189 JOLGMRAEJHBFFE-OLZOCXBDSA-N 311.382 -0.893 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)[C@@H](C)NC(C)=O 1151713238 FOCMGTNYENTODN-VXGBXAGGSA-N 310.398 -0.913 30 20 DBED N#Cc1ccc(C(=O)NCCCNCCN2C(=O)CCC2=O)[nH]1 1156703448 PRWKNDJZLIOTAG-UHFFFAOYSA-N 317.349 -0.255 30 20 DBED C#CCN(C)C[C@H]1CCCCN1C(=O)CC[C@@H]1NC(=O)NC1=O 1158837681 OLWAWOSWKLJOBO-OLZOCXBDSA-N 320.393 -0.079 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)Cc1c(C)n[nH]c1C 1175904918 XREWNXDUEXQGHI-CYBMUJFWSA-N 319.409 -0.197 30 20 DBED N#CCN1CC(O)(CN(Cc2ccccc2)C(=O)CC(N)=O)C1 1177516517 VHTARVYXLPBGOJ-UHFFFAOYSA-N 316.361 -0.539 30 20 DBED CC(C)C#CC(=O)N1CC[C@H](NCc2nc(=O)n(C)[nH]2)[C@@H]1C 1178645974 WTLJQXYPVKCQIQ-RYUDHWBXSA-N 305.382 -0.153 30 20 DBED C[C@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)c1ccsn1 1178967489 SIAHRKGNYWSVAD-UWVGGRQHSA-N 307.379 -0.025 30 20 DBED C[C@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)c1n[nH]cc1F 1179502917 GRCUWJMASYHPSS-WPRPVWTQSA-N 308.317 -0.619 30 20 DBED CCN(CCC#N)C(=O)CN[C@@H]1CCN(C(=O)CCOC)C1 1180593693 UAVPEBVJCKYTAA-CYBMUJFWSA-N 310.398 -0.024 30 20 DBED CC(C)C#CC(=O)N1CC[C@@H](NC[C@H](O)CN2CCCC2=O)C1 1182422886 GSBLATQGSMAITE-CABCVRRESA-N 321.421 -0.180 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)c2ccnc3[nH]nnc23)C1 1184155575 WPUXVHJZRAVYST-LLVKDONJSA-N 314.349 -0.193 30 20 DBED C[C@@H](Cc1cnc[nH]1)C(=O)N1CC[C@@H](NCC(=O)NCC#N)C1 1186221489 LZXAIVJANYGXLL-NWDGAFQWSA-N 318.381 -0.581 30 20 DBED CN(CC(=O)NCC#N)[C@H]1CCN(C(=O)Cc2cc[nH]n2)C1 1189498827 CRIMXKJGRVJYGQ-LBPRGKRZSA-N 304.354 -0.875 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@H]1CCN(C(=O)c2[nH]nnc2C)C1 1191675293 VGACRNYSILRVKX-RYUDHWBXSA-N 318.381 -0.603 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@@H]1CCN(C(=O)Cc2cnoc2)C1 1191929772 ARCITTXAQCLIMI-TZMCWYRMSA-N 318.377 -0.112 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(Cc2nnc(CC)o2)C[C@H]1O 1192530951 RBMOBAJXUBJKGL-UEKVPHQBSA-N 324.381 -0.380 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)Cc2cnc[nH]2)C1 1192549934 CKNPPQYBGYQMIS-ZDUSSCGKSA-N 305.382 -0.213 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCOCC2)C1 1192555588 ONKVDWSZNUOZQC-RBSFLKMASA-N 310.394 -0.386 30 20 DBED C=CCNC(=O)[C@@H](C)N(C)[C@@H]1CCN(C(=O)Cn2cncn2)C1 1193886386 BRPPORFXIVAZPS-CHWSQXEVSA-N 320.397 -0.499 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)C2(CF)CC2)C1 1196097557 JYLFSKMQUNNTIE-IJLUTSLNSA-N 311.357 -0.965 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)COCCCOC)C1 1197637511 PEOWXNWFVZISOB-ZIAGYGMSSA-N 316.398 -0.597 30 20 DBED CCS(=O)(=O)NCCNC1CCN(C(=O)[C@H](C)C#N)CC1 1199816809 LWXSDBLWOOPOJS-LLVKDONJSA-N 316.427 -0.334 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)C2CC(C)C2)CCCO1 1200239910 VAVGFLMQRJBMNH-YMAMQOFZSA-N 321.421 -0.011 30 20 DBED C#CCCCC(=O)N1CCCO[C@@H](CNCc2nnnn2C)C1 1200396156 HAQJQNHGOOMBSA-ZDUSSCGKSA-N 320.397 -0.279 30 20 DBED N#CCNC(=O)CNC1CCN(C(=O)c2ccsn2)CC1 1201212881 ZEWUYKJNKRJZJR-UHFFFAOYSA-N 307.379 -0.023 30 20 DBED C=CCOCCNC1CCN(C(=O)CN2C(=O)CNC2=O)CC1 1203617239 FZRDKPJKUYNVOT-UHFFFAOYSA-N 324.381 -0.679 30 20 DBED COCC#CCN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)CNC(N)=O)C2 1203967469 VNMDOGNLQHRAJS-JHJVBQTASA-N 308.382 -0.726 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)CC2(O)CCC2)[C@H](C)C1 1206943091 ZSJCFESCZUNBNH-HZSPNIEDSA-N 321.421 -0.134 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCCN(C(=O)CC(C)(C)O)C1 1207924871 SQFAKSNJRSXQES-QWHCGFSZSA-N 309.410 -0.134 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCC[C@H](NCCN2CCNC2=O)C1 1207950371 KOGHKTYXTAUUIU-XJKSGUPXSA-N 324.425 -0.081 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCN(C(=O)CC2(O)CCC2)C1 1207989443 NSBDOQNMZVRFME-GFCCVEGCSA-N 308.382 -0.488 30 20 DBED CO[C@@H]1CN([C@@H]2CCNC2=O)C[C@H]1NC(=O)C#CC(C)(C)C 1212253336 CEVKRNUYXKWMBB-JHJVBQTASA-N 307.394 -0.260 30 20 DBED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)CCCF 1213287898 TUVNLKNQVCSSFE-GHMZBOCLSA-N 300.334 -0.809 30 20 DBED CCC(C)(C)C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1OC 1213358917 ZAKYWARXCHLTIO-VXGBXAGGSA-N 310.398 -0.122 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)[C@@]2(C)CCNC2=O)C[C@H]1C 1215525207 HASOVNRROCRVRF-IOASZLSFSA-N 307.394 -0.401 30 20 DBED CC(C)n1cc(CN2C[C@H](O)[C@H](NC(=O)[C@@H](C)C#N)C2)nn1 1219379211 OTWAIFXGWOCFBL-UHTWSYAYSA-N 306.370 -0.320 30 20 DBED C=CCN1CC[C@@H](N2C[C@H](O)[C@H](NC(=O)C#CC(C)C)C2)C1=O 1219587725 RXZIASFTFRGNNG-KFWWJZLASA-N 319.405 -0.406 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2cncs2)C[C@@H]1O 1219605267 NOQOMDXALJTECM-UHTWSYAYSA-N 309.391 -0.157 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)c2coc(OC)n2)C1 1220079854 CIUZPTGERAEVKK-PWSUYJOCSA-N 311.338 -0.339 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)[C@H](C)CS(C)(=O)=O)C1 1221102512 WWXWFEARABBHLN-UTUOFQBUSA-N 304.412 -0.596 30 20 DBED N#CCNC(=O)CN1CC[C@@H]2CN(C(=O)C3=COCCC3)[C@@H]2C1 1221424626 IVDSHAQJULMJQZ-TZMCWYRMSA-N 318.377 -0.147 30 20 DBED Cc1c[nH]nc1C(=O)N1C[C@H]2CCN(CC(=O)NCC#N)C[C@H]21 1221527918 BKBQDWSBQQJXRB-VXGBXAGGSA-N 316.365 -0.496 30 20 DBED C=CCOCC(=O)NCC1CCN([C@H]2CCC(=O)NC2=O)CC1 1222636975 VNUUNEGMJLCJNH-ZDUSSCGKSA-N 323.393 -0.178 30 20 DBED C[C@H](C(=O)NC(N)=O)N1CCC(CNC(=O)C#CC2CC2)CC1 1223143603 WUNORNOMWBOTEJ-LLVKDONJSA-N 320.393 -0.189 30 20 DBED C#CCCN1CCC(CNC(=O)[C@@H](C)NS(C)(=O)=O)CC1 1224656517 CDDIOBQEVNJQMW-GFCCVEGCSA-N 315.439 -0.224 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC(NC(=O)c2cnn(C)n2)CC1 1229609481 DGTUTADVMOMMKU-NSHDSACASA-N 318.381 -0.853 30 20 DBED C#CCN1CCS(=O)(=O)[C@H](CCNC(=O)c2cccnc2)C1 1230410766 NWOYVVDDGMTEQO-CQSZACIVSA-N 321.402 -0.066 30 20 DBED COCC#CCN1CCC(NC(=O)[C@H](C)N2CCOCC2)CC1 1230469518 ITKFCYQNUWYWSP-HNNXBMFYSA-N 323.437 -0.063 30 20 DBED C=CCN(CC(=O)OCC)Cc1cc(=O)n2nc(N)[nH]c2n1 1261762011 CESXVPLSCSPSBU-UHFFFAOYSA-N 306.326 -0.449 30 20 DBED CN1CCC[C@@H]1C(=O)N1C[C@@H]2CC[C@H](C1)N2CC(=O)NCC#N 1267528790 PVCIEQFNVRWVBM-HZSPNIEDSA-N 319.409 -0.604 30 20 DBED C[C@H](NS(C)(=O)=O)C(=O)NCc1ccc(C(=O)NO)cc1 1322365935 GGRAVDZRRCAXKJ-QMMMGPOBSA-N 315.351 -0.641 30 20 DBED COc1ccc(NC(=O)C(=O)NCC(=O)NCC#N)cc1OC 1323053585 GDMCGJCTTROBRF-UHFFFAOYSA-N 320.305 -0.602 30 20 DBED CC(=O)N1C[C@@H]2[C@@H](CCC[C@H]2NC(=O)NCC(=O)NCC#N)C1 1324026117 YJCZEDBBXAWWFP-YNEHKIRRSA-N 321.381 -0.428 30 20 DBED C=CC[C@@H](CC)NC(=O)C(=O)N1CCN(C(C)(C)C(N)=O)CC1 1328936811 ZZBXGCCXQOXCAO-GFCCVEGCSA-N 324.425 -0.135 30 20 DBED CN(C)C(=O)NCCN(C)C(=O)C(=O)N1CCC[C@@H](CC#N)C1 1329702197 CQHDSIHEEQGUKI-LBPRGKRZSA-N 323.397 -0.132 30 20 DBED C#C[C@@H](NC(=O)C(=O)N[C@@H]1CCN(C(C)=O)C1)[C@H]1CCCO1 1331076958 HNTMKXYQDDMRGX-JHJVBQTASA-N 307.350 -0.980 30 20 DBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCCCn1cncn1 1332441823 AJNAZEBUXYGNTO-STQMWFEESA-N 321.381 -0.118 30 20 DBED N#CCCNS(=O)(=O)c1ccc(C(=O)NOCCO)cc1 1343004403 HZIAZMWCLONKCE-UHFFFAOYSA-N 313.335 -0.468 30 20 DBED C=CCN(C(=O)C(=O)Nc1ncn(CC(=O)N(C)C)n1)C(C)C 1343280756 QZYOHOLTOSSEAT-UHFFFAOYSA-N 322.369 -0.272 30 20 DBED C#CCn1ccc(CN(CC)C(=O)C(=O)NC[C@H]2CCN2C)n1 1345339034 WRVAKMBKBZWHFL-CQSZACIVSA-N 317.393 -0.315 30 20 DBED CNS(=O)(=O)c1csc(C(=O)NCC(=O)NCC#N)c1 1346130923 HVWVDPKEQJQQQU-UHFFFAOYSA-N 316.364 -0.974 30 20 DBED C=CCN(C(=O)C(=O)N[C@@H]1COCC[C@H]1OC)[C@H](C)COC 1355035885 PWWVMRPGDUWEPH-JHJVBQTASA-N 314.382 -0.044 30 20 DBED CCOC(=O)Cn1cnc(NC(=O)N2CC[C@](O)(CC#N)C2)n1 1364400620 OCGLAUVIMKWNHF-CYBMUJFWSA-N 322.325 -0.276 30 20 DBED Cn1nnnc1CNC[C@@H](NC(=O)c1cc(C#N)c[nH]1)C1CC1 1367894740 LURLEADVVYRHJG-GFCCVEGCSA-N 314.353 -0.292 30 20 DBED COCC(=O)N(C)CC(=O)NC[C@@H](C)CNC(=O)[C@H](C)C#N 1388446329 HENSDHAOPQBZIP-GHMZBOCLSA-N 312.370 -0.881 30 20 DBED C=C(Cl)CN1CC[C@H]1CN(C)C(=O)Cn1ncn(C)c1=O 1388640912 KDGRZYXWJCFADC-NSHDSACASA-N 313.789 -0.133 30 20 DBED CCOCC(=O)NCc1cc(O)nc(CNC(=O)[C@@H](C)C#N)n1 1406688439 QCXCDZFYEHLRLR-VIFPVBQESA-N 321.337 -0.389 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(O)(CNCc2nc(O)n[nH]2)CC1 1408144214 LWWGMYRXNLVFMK-VIFPVBQESA-N 308.342 -0.887 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1cc(C(F)F)[nH]n1 1410166295 NXDUUBOMEUGDFE-NKWVEPMBSA-N 315.280 -0.286 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1cnoc1C1CC1 1416781422 IEHXXJNHTIGRCR-SCZZXKLOSA-N 306.322 -0.081 30 20 DBED CNS(=O)(=O)CCn1c(C)nnc1N1CCC(C#N)CC1 1417530772 MBIYUWGVORXKER-UHFFFAOYSA-N 312.399 -0.124 30 20 DBED COC[C@H](C)CC(=O)NC[C@H](O)CNC(=O)c1cc(C#N)c[nH]1 1431513359 HISXFJBKPMHTCE-PWSUYJOCSA-N 322.365 -0.234 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)[C@@H]2CCCN(C(N)=O)C2)CC1 1432230493 DFDVTVBLBWBNNF-WDEREUQCSA-N 321.381 -0.298 30 20 DBED C[C@@H](C#N)C(=O)N1CC(CNC(=O)C[C@@H]2CCC(=O)NC2)C1 1432431168 VLGSNOGIAFMZEZ-QWRGUYRKSA-N 306.366 -0.363 30 20 DBED N#Cc1cn(CC(=O)NCC[C@@H]2C[C@H]3CC[C@H]2O3)c(=O)nc1O 1434063782 JJADTRGBEFSXHM-YUSALJHKSA-N 318.333 -0.106 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)c2cc(C#N)c[nH]2)C1 1434336875 NJSYNCNKQFUNHY-MEBBXXQBSA-N 315.333 -0.261 30 20 DBED CC[C@H](CNS(C)(=O)=O)NS(=O)(=O)CC(C)(C)C#N 1434572030 IZRAFBPODUMJAV-SECBINFHSA-N 311.429 -0.217 30 20 DBED C=C(Cl)CNC[C@H](O)CNC(=O)CN1CCCNC1=O 1438999661 JGFYLSFWULLKOB-JTQLQIEISA-N 304.778 -0.779 30 20 DBED CC(=O)N(C)CC(=O)N1CC[C@H](CN(C)C(=O)[C@H](C)C#N)C1 1456082475 VGYZRLFCNFYPDT-DGCLKSJQSA-N 308.382 -0.069 30 20 DBED CCCN1C[C@H](C(=O)N2CC(NC(=O)[C@H](C)C#N)C2)CC1=O 1456399783 VXUYEEXNCWFMJO-GHMZBOCLSA-N 306.366 -0.268 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCC(=O)N1)NC(=O)c1ccc(C#N)[nH]1 1458381816 JPMVPHMBOFDUBJ-WCBMZHEXSA-N 303.322 -0.601 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNCc1cn(C(C)(C)C)nn1 1482717010 VKUKWGKJZPGWOS-PWSUYJOCSA-N 308.386 -0.241 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(Cc2ncnn2CCF)C1 1484263888 GQUXSPNCLCOICT-SNVBAGLBSA-N 310.333 -0.930 30 20 DBED C[C@@H](C(=O)NC1(C#N)CCC1)N1C[C@H]2COC[C@@]2(C(=O)O)C1 1573364452 SLGVAEJTVSSBSF-PGUXBMHVSA-N 307.350 -0.030 30 20 DBED C[C@@]1(C(=O)O)CN(S(=O)(=O)c2ccc(C#N)cn2)CCO1 1573605650 BNOXTJZFJRVQJB-LBPRGKRZSA-N 311.319 -0.183 30 20 DBED C#CCN(CC(=O)O)c1nnnn1C[C@@H]1C=C[C@H]2C[C@@H]1CO2 1588427255 RMNCXIUNXYOHFK-TUAOUCFPSA-N 303.322 -0.212 30 20 DBED C#CCN1CCC[C@H]1c1nnc(N2CCO[C@H](C(=O)O)C2)n1C 1588476782 GNYAFXQHDAZPIC-RYUDHWBXSA-N 319.365 -0.125 30 20 DBED C#Cc1ccc(NC(=O)C(=O)N2C[C@@H](O)C[C@H](C(=O)O)C2)cc1 1588516924 HWTGMDWXGHQBON-AAEUAGOBSA-N 316.313 -0.100 30 20 DBED C=C[C@@H]1OCC[C@H]1NS(=O)(=O)c1cncc(-c2nn[nH]n2)c1 1588728282 QEIAUUUNQURTPK-MNOVXSKESA-N 322.350 -0.117 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](N=c2cc[nH]cc2-c2nn[nH]n2)C1 1588928499 BEIVDYLCOAZYSI-NXEZZACHSA-N 312.337 -0.144 30 20 DBED N#Cc1nc(NC(=O)C2(F)CCOCC2)[nH]c1-c1nn[nH]n1 1592683305 PDLBAUROBCFXHJ-UHFFFAOYSA-N 306.261 -0.081 30 20 DBED N#Cc1cnn2cc(CNCCn3cc(C(=O)O)nn3)cnc12 1601131040 OHAXEGDOKYIXPP-UHFFFAOYSA-N 312.293 -0.320 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)C23CC(C(=O)O)(C2)C3)CC1 1602901187 AXPSHKDOSGEMHR-UHFFFAOYSA-N 321.377 -0.312 30 20 DBED C[C@@H](C#N)C(=O)NCCCNc1nccnc1-c1nn[nH]n1 1602984264 VNEVTTZZACJVJV-QMMMGPOBSA-N 301.314 -0.265 30 20 DBED CCN1C[C@H](S(=O)(=O)N(CC#N)CCC(=O)O)CC1=O 1605471556 NUIBMRSAPUVLSO-SECBINFHSA-N 303.340 -0.763 30 20 DBED CN(C[C@H](O)CO)C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1645677081 CRABNVGNFDFLLK-OCCSQVGLSA-N 317.345 -0.277 30 20 DBED C=CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)c2nccnc2N)C1 1731646055 PKZLBHLYOIJQCQ-QWRGUYRKSA-N 318.381 -0.446 30 20 DBED CC#CCN1CCN(CCNC(=O)[C@@H](CC)NC(C)=O)CC1 1752374258 BOZWLKARJZLCSF-OAHLLOKOSA-N 308.426 -0.342 30 20 DBED C#CCNC(=O)CN1CC(NC(=O)c2cnoc2C(C)C)C1 1753389552 IDRWJHONXBKNHI-UHFFFAOYSA-N 304.350 -0.039 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H](CC)CNC(=O)c1n[nH]c(C)c1O 1753470789 YUTSKHFKJGSAQK-MNOVXSKESA-N 321.381 -0.340 30 20 DBED C=CCNC(=O)[C@@H](C)NC[C@H](C)CNC(=O)C1=COCCO1 1753611975 CZFMOFZCTHGJJT-NWDGAFQWSA-N 311.382 -0.093 30 20 DBED C#CCNC[C@@H]1[C@@H](C)CCCN1C(=O)CS(=O)(=O)N(C)C 1753814348 PRZVMLRRNBFCHR-QWHCGFSZSA-N 315.439 -0.272 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1[C@H]2C[C@H]1N(CCNS(C)(=O)=O)C2 1754427327 NQTRCISKNVFVIR-QJPTWQEYSA-N 315.439 -0.063 30 20 DBED C#CCCN1CC[C@@H](N2CCN(C(=O)[C@@H](C)CC(N)=O)CC2)C1 1754662892 IREREFNSTAKFRD-LSDHHAIUSA-N 320.437 -0.260 30 20 DBED C=CCNC(=O)CN1CC[C@@](O)(CNC(=O)CC(C)(C)O)C1 1754748432 ISNYBFALTLUZCO-OAHLLOKOSA-N 313.398 -0.997 30 20 DBED CC#CCN1CC[C@@](O)(CNC(=O)c2cc(OCC)n[nH]2)C1 1754754066 LKCKQTIMVZXYFA-OAHLLOKOSA-N 306.366 -0.002 30 20 DBED C#Cc1ccc(C(=O)NC[C@@]2(O)CCN(CCCO)C2)nc1 1754758365 AEHDUYODXCWMQG-INIZCTEOSA-N 303.362 -0.388 30 20 DBED C#CCNC(=O)CN[C@H](C)[C@@H]1CCN(C(=O)c2ccnnc2)C1 1754798673 FWGORYVBZBQRSK-TZMCWYRMSA-N 315.377 -0.334 30 20 DBED C#Cc1ccc(C(=O)N(CCO)CCN[C@@H](CC)C(N)=O)cn1 1754896739 OGTFAKSUEOHSJK-AWEZNQCLSA-N 318.377 -0.649 30 20 DBED CC#CCCCC(=O)N[C@@H](CO)CNC(=O)[C@@H]1CCCNC1=O 1756527500 HRFCHUJGCMUCMX-CHWSQXEVSA-N 323.393 -0.701 30 20 DBED C=C(C)C(C)(C)C(=O)NC[C@@H](CO)NC(=O)c1cncnc1O 1756539956 HYLCYPNFPVKFFF-JTQLQIEISA-N 322.365 -0.009 30 20 DBED C=CCCC(=O)N(C)C[C@H](O)CNC(=O)[C@@]1(C)CNC(=O)C1 1756654369 ADHFCKZGFBTMJJ-IAQYHMDHSA-N 311.382 -0.586 30 20 DBED COCCCC(=O)N[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1O 1757156356 UZJAYVOWFPDHSN-OLZOCXBDSA-N 320.349 -0.386 30 20 DBED Cc1ncoc1C(=O)N[C@@H]1CN(C(=O)CSCC#N)C[C@@H]1O 1757164296 HGVBCBCOCRNQLT-ZJUUUORDSA-N 324.362 -0.459 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(C(=O)c2[nH]cnc2C)C[C@@H]1O 1757173749 HULJQZFZDGCGLH-TUAOUCFPSA-N 320.349 -0.942 30 20 DBED COCCN(C(=O)CN[C@@H](C)CC#N)[C@H]1CCS(=O)(=O)C1 1771861578 WDARXWZLWLWOHH-RYUDHWBXSA-N 317.411 -0.460 30 20 DBED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cc[nH]n3)C[C@@H]21 1790793798 VWOMRTZOEBLULX-UBHSHLNASA-N 316.361 -0.435 30 20 DBED CC(=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CC1 1795407905 CGNIOHOJOHSIJT-ZSBIGDGJSA-N 305.334 -0.531 30 20 DBED C=CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)n[nH]1 1795693779 WFMPAPKGAPQAQV-WDAIWFPHSA-N 320.349 -0.105 30 20 DBED Cc1nc[nH]c1C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1843523413 JWZXWROHLGWHBU-UHFFFAOYSA-N 316.317 -0.377 30 20 DBED CC(C)(C#N)C(=O)N1CC2(CCCN2C(=O)[C@@H]2C[C@H](O)CN2)C1 1845064622 KXCBYXAVCTXPHX-RYUDHWBXSA-N 320.393 -0.538 30 20 DBED N#Cc1cc(F)c(S(=O)(=O)N2CCNC(=O)C2)c(F)c1 177116946 IXMRFROUOTZXJS-UHFFFAOYSA-N 301.274 -0.043 30 20 DBED CCCNC(=O)C/N=C(\N)N1CCN(c2ncccn2)CC1 264145977 XVIGLWZFUNVAMY-UHFFFAOYSA-N 305.386 -0.561 30 20 DBED CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)NCC#N 275473666 IRRBDWGHDPIOBC-UHFFFAOYSA-N 303.365 -0.261 30 20 DBED CCOC(=O)CN(CC(N)=O)S(=O)(=O)c1ccc(C#N)o1 287102778 ZCWLFBTYCCKJJN-UHFFFAOYSA-N 315.307 -0.810 30 20 DBED N#Cc1cncc(S(=O)(=O)NC[C@H]2CC[C@H](C(N)=O)O2)c1 289427576 IQBKEUMTEBHDLB-MWLCHTKSSA-N 310.335 -0.736 30 20 DBED CC/N=C(/O)N1CC[C@H](/N=C(/O)N(C)[C@@H]2COC[C@H]2O)C1 329525572 HEQDJTZNSHRNKA-HBNTYKKESA-N 300.359 -0.400 30 20 DBED CN1CCC[C@@H](/N=C(/O)CCN2CCCS2(=O)=O)C1=O 330058307 YTCAMUZOSOLMIN-SNVBAGLBSA-N 303.384 -0.011 30 20 DBED COC(=O)[C@H]1CCCN(/C(O)=N/CC(=O)N2CCOCC2)C1 330682396 QBWDJOFSXKDEQB-NSHDSACASA-N 313.354 -0.356 30 20 DBED C[C@H](Cn1cccn1)/N=C(/O)N1CC[C@H](S(N)(=O)=O)C1 331084878 ZKVJFJGXHGCXCJ-ZJUUUORDSA-N 301.372 -0.452 30 20 DBED C[C@@H](CS(C)(=O)=O)N(C)S(=O)(=O)N(C)C[C@@H](C)C#N 332509216 WUQOETPZTHRKSF-UWVGGRQHSA-N 311.429 -0.312 30 20 DBED COCCCOCCN(C)S(=O)(=O)N1CCO[C@H](C#N)C1 336890402 MUGRRGDJNAWHJB-GFCCVEGCSA-N 321.399 -0.560 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)NCCC(=O)N1CCOCC1 336901270 BREQPDXBJPPCQP-NSHDSACASA-N 318.399 -0.839 30 20 DBED CO[C@@H]1C[C@H](NS(=O)(=O)N2CCO[C@H](C#N)C2)C1(C)C 336931044 BKXAFBSWKGTIPG-OUAUKWLOSA-N 303.384 -0.141 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N1CSC[C@@H]1C(=O)N(C)C 337844306 WMXDFNZBETYNDW-NXEZZACHSA-N 320.440 -0.072 30 20 DBED COC[C@@H](O)CNC(=O)C(=O)Nc1cc(C#N)ccc1OC 338912223 OJHFTLSTYNBSTN-JTQLQIEISA-N 307.306 -0.371 30 20 DBED C=CCN1CCC(NC(=O)C(=O)N2CCC(CO)CC2)CC1 339300334 BYEZVSBQJMMZCM-UHFFFAOYSA-N 309.410 -0.016 30 20 DBED CCc1nn(CC(=O)NCCC(=O)OC)c(=O)c(C#N)c1CC 346724672 QQLDEUYQJBQXCD-UHFFFAOYSA-N 320.349 -0.081 30 20 DBED Cc1nc([C@H](C)NS(=O)(=O)N2CCO[C@H](C#N)C2)n[nH]1 352538570 MAHVULBPLNUEFH-IONNQARKSA-N 300.344 -0.767 30 20 DBED N#CCNC(=O)CNC(=O)C(=O)N1CCc2cc(F)ccc21 357309060 MUUHNYJIGVUXKU-UHFFFAOYSA-N 304.281 -0.529 30 20 DBED C=C[C@@H](C)NC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 362610680 LGLALALLMPAEIV-SSDOTTSWSA-N 300.340 -0.917 30 20 DBED CC(C)(C)c1nnc(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)s1 408096879 GRLUQPJSDGJGLF-QMMMGPOBSA-N 323.378 0.525 30 20 DBED CCN(CCC#N)C(=O)CN1CCC[C@H]1C(=O)NCC(=O)OC 419346973 OTDNCMCGYXNRCA-LBPRGKRZSA-N 324.381 -0.498 30 20 DBED C#CCN(C)CCCNC(=O)C(=O)Nc1cc(C)cn(C)c1=O 491166049 PGAFMELEQGTZJT-UHFFFAOYSA-N 318.377 -0.296 30 20 DBED Cn1cc(C#N)c(=O)n(CCn2cnc3ccccc3c2=O)c1=O 534243314 RWSYSKAUZHWSEF-UHFFFAOYSA-N 323.312 -0.171 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1CCN(C(=O)N(C)C)CC1 554843140 HKZWVZPCVPGENB-NSHDSACASA-N 311.386 -0.314 30 20 DBED C[C@H](C(=O)NCC1(C#N)CC1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 565400279 BABAMJFKDSEYHB-OOCWMUITSA-N 317.345 -0.043 30 20 DBED COc1ccc(C#N)cc1NC(=O)C(=O)NC(C)(CO)CO 578416908 WOZBDIZVJHCBSN-UHFFFAOYSA-N 307.306 -0.635 30 20 DBED N#CCC1(CS(=O)(=O)N[C@H](CCC(=O)O)C(=O)O)CC1 593254644 RNSGLKMNECEREV-MRVPVSSYSA-N 304.324 -0.082 30 20 DBED CC#CC[C@H](CO)NC(=O)CNS(=O)(=O)c1cccnc1 649238746 ISMWEVAAWAWCNS-LLVKDONJSA-N 311.363 -0.750 30 20 DBED C=CCCn1cc(CN(C)C[C@@H](O)CN2CCOCC2)nn1 653567132 SNSXZVUBUSKYMS-OAHLLOKOSA-N 309.414 -0.021 30 20 DBED C=CCOCCNC(=O)N(CCN(C)C)CC(=O)N(C)C 664620933 IKYCQFFPMFHITF-UHFFFAOYSA-N 300.403 -0.150 30 20 DBED N#CCOc1ccc(CNC(=O)N2CCO[C@H](C(N)=O)C2)cc1 727942108 VOFCTEUVDQEYBK-ZDUSSCGKSA-N 318.333 -0.015 30 20 DBED Nc1ncc(C=NNC(=S)NCCCN2CCOCC2)cn1 781578704 MNHXVVWBISJLTL-UHFFFAOYSA-N 323.426 -0.421 30 20 DBED C=CCS(=O)(=O)CCNC(=O)[C@H](C)N1C(=O)CCC1=O 783547632 OQXNVCWNLNELMM-VIFPVBQESA-N 302.352 -0.759 30 20 DBED C#CCOCCNC(=O)C(=O)Nc1ccc(OC)nc1OC 785157664 ORFQHLYAILQSLM-UHFFFAOYSA-N 307.306 -0.197 30 20 DBED C#CCC[C@H](O)CNC(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 798387788 CFHRAKCKIKZHPL-RYUDHWBXSA-N 317.411 -0.516 30 20 DBED C[C@](C#N)(CC(=O)O)C(=O)NCC1(CS(C)(=O)=O)CC1 819833280 FSAQYPNZTBNZLC-LLVKDONJSA-N 302.352 -0.068 30 20 DBED C#C[C@@H](NC(=O)C(=O)NCc1ccnn1CC)[C@H]1CCCO1 829213677 AJZPCBAJCSNFMD-CHWSQXEVSA-N 304.350 -0.184 30 20 DBED CN(C)c1cnc(C(=O)NS(=O)(=O)CC2(C#N)CC2)cn1 847678054 CBJONKGULSXKSK-UHFFFAOYSA-N 309.351 -0.094 30 20 DBED CC(C)C#CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 854267065 XUCPYZIJVLEVDI-UHFFFAOYSA-N 307.394 -0.351 30 20 DBED C#CCCN(CCOC)C(=O)CN(C)S(=O)(=O)N(C)C 856391711 OEKHWXJMTMDLEX-UHFFFAOYSA-N 305.400 -0.777 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N1CC[C@H](NC(C)=O)C1 875595557 ACOCVMVNRAICIG-STQMWFEESA-N 309.366 -0.732 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N(C)C[C@@H]1COCCO1 875598179 RWHBQNKJDRUOCT-QWHCGFSZSA-N 312.366 -0.595 30 20 DBED C#CCOc1ccccc1NC(=O)C(=O)NCCN(C)CCO 892220969 XQQICMHZQLIARZ-UHFFFAOYSA-N 319.361 -0.323 30 20 DBED C#CCN1CCC[C@H]1C(=O)Nc1cnn(CC(=O)NCCO)c1 901327825 VPKZHVPGHYDNQM-ZDUSSCGKSA-N 319.365 -0.972 30 20 DBED CN(C)C(=O)CN1CCN(S(=O)(=O)CC(C)(C)C#N)CC1 913857822 UWQKDZOSQVFYGQ-UHFFFAOYSA-N 316.427 -0.428 30 20 DBED CCN(CCC#N)C(=O)COC(=O)CN1C(=O)CN(C)C1=O 919018408 DUZROOOSOXJZDH-UHFFFAOYSA-N 310.310 -0.814 30 20 DBED C#CC[C@H](CO)NC(=O)N[C@@H]1CCOC[C@H]1OCCOC 922070880 OHHATQXBAIHKEK-JHJVBQTASA-N 300.355 -0.510 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1coc(C(N)=O)c1 937527323 ITPPUUILFPZGLG-LSJOCFKGSA-N 316.317 -0.037 30 20 DBED C#Cc1cncc(C(=O)N2C[C@H]3C[C@H]2[C@H]3NC(=O)c2nc[nH]n2)c1 947759870 LYAGLCJCAKXJCM-AGIUHOORSA-N 322.328 -0.176 30 20 DBED C[C@@H](C#N)C(=O)N1[C@H]2CCC[C@H]1CN(C(=O)[C@H]1CNC(=O)N1)C2 952780782 FFASVKDOZTZUMX-FIQHERPVSA-N 319.365 -0.581 30 20 DBED CN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)C1CN(C(=O)C#CC2CC2)C1 955333103 VEOWBHQMMKQYCS-QWHCGFSZSA-N 319.361 -0.898 30 20 DBED C#CCN1C[C@H](CNC(=O)c2n[nH]c3c2CCCC3)[C@@H](O)C1 958207045 QMPGHHMFBMOATE-FZMZJTMJSA-N 302.378 -0.056 30 20 DBED C#CCCN1C[C@H](O)[C@H](CNC(=O)c2c(C)nn(C)c2F)C1 958631546 SHPWXJNWGMKYQH-NEPJUHHUSA-N 308.357 -0.087 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cscn2)C1 958734746 JADSETUOTQEPOO-LSJOCFKGSA-N 308.363 -0.054 30 20 DBED C#CCCN1C[C@H]2C(NC(=O)[C@H]3CCc4nnc(O)n4C3)[C@@H]2C1 960655685 NZCWCOBDBMKTEH-QJPTWQEYSA-N 315.377 -0.384 30 20 DBED CCn1nncc1C(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 962742326 OBFOAHKTUGTVLN-YPMHNXCESA-N 317.349 -0.987 30 20 DBED Cc1nn(CC(=O)N(C)C2CCC(NCC#N)CC2)c(=O)n1C 964306404 AFIOCYGTVQFVKR-UHFFFAOYSA-N 320.397 -0.227 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCC(=O)N1 969501055 FSZVDNAUJARYKV-WYUUTHIRSA-N 304.350 -0.374 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@H](NC(=O)c2ncccn2)C1 970015955 OCQRDASNBYPNJF-MNOVXSKESA-N 304.350 -0.010 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](N(C)CCN2C(=O)CCC2=O)C1 971211983 WCIUYCNVABTOSJ-NEPJUHHUSA-N 306.366 -0.172 30 20 DBED C#CCN(C)[C@@H]1CCN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 972567636 IYEOCLWETZEKPK-LLVKDONJSA-N 314.349 -0.763 30 20 DBED C=CCN1C[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C(C)(C)C1 974661532 YJBVANGMZCKYJV-LBPRGKRZSA-N 320.393 -0.440 30 20 DBED Cc1ncnc(O)c1C(=O)N[C@H]1[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]21 977016843 QBVGLPNRQIYTFY-QAHWYCSRSA-N 315.333 -0.163 30 20 DBED CCn1nc(C(=O)NCC2[C@@H]3CN(CC#N)C[C@@H]23)ccc1=O 978863730 DXJXQACEYCADRO-RYUDHWBXSA-N 301.350 -0.306 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(N(C)CC(=O)N2CCOCC2)CC1 985337829 BLLQQQCYUOFYSV-ZDUSSCGKSA-N 322.409 -0.072 30 20 DBED C[C@H]1[C@H](NCc2nnn(C)n2)CCN1C(=O)c1cc(C#N)c[nH]1 986129321 DFBLPACWKGHUBN-GXSJLCMTSA-N 314.353 -0.197 30 20 DBED C=CCCN1CCCN(C(=O)[C@@H]2CCS(=O)(=O)N2)CC1 989689324 JYCRKODUQOJLBF-LBPRGKRZSA-N 301.412 -0.212 30 20 DBED N#Cc1c[nH]c(C(=O)NC2CN(C(=O)c3c[nH]c(=O)cn3)C2)c1 990714073 XWTGZYCPEFTHAJ-UHFFFAOYSA-N 312.289 -0.776 30 20 DBED N#CCN1CC[C@@]2(NC(=O)C[C@@H]3NC(=O)NC3=O)CCC[C@H]12 991099535 IAARAYPPRXIDSP-BHDSKKPTSA-N 305.338 -0.779 30 20 DBED C#CCN1CCC[C@H](NC(=O)CN2CCN(C)C(=O)C2)[C@H]1C 993520522 MNFBENRSAOGAAV-KGLIPLIRSA-N 306.410 -0.637 30 20 DBED C[C@H]1[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)CCCN1CC#N 993921927 ZAAYBWAGMAHXCK-JQWIXIFHSA-N 319.365 -0.810 30 20 DBED N#Cc1c[nH]c(C(=O)N2CCC[C@H](N[C@H]3CCNC3=O)C2)c1 998850059 RNBSEVYINVOTRQ-RYUDHWBXSA-N 301.350 -0.031 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CCNC(=O)C2)C1 1000005006 KWGJELJFIQHABU-UHTWSYAYSA-N 321.377 -0.569 30 20 DBED C=CCn1cccc1C(=O)N1C[C@@H]2C(NC(=O)C(N)=O)[C@H]2C1 1013684690 VVFJFTIJSACKCP-UWVGGRQHSA-N 302.334 -0.654 30 20 DBED C=CCCn1cc(C(=O)N[C@H]2CCN([C@H]3CCNC3=O)C2)nn1 1015821135 RGHTZGPVQQCWMZ-AAEUAGOBSA-N 318.381 -0.453 30 20 DBED C=CCn1cccc1C(=O)N1CC2(CCN(C(=O)C(N)=O)C2)C1 1019121976 RNFMEEPQTSTAKJ-UHFFFAOYSA-N 316.361 -0.166 30 20 DBED C#CCN[C@H]1CCN(C(=O)COc2cccc(C(N)=O)c2)C1 1019809723 RYGJFGAVEYOMPP-ZDUSSCGKSA-N 301.346 -0.012 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1[C@@H]2CN([C@@H](C)C(N)=O)C[C@@H]21 1025790050 XAROWKPJVYIDKH-AJSWTNHPSA-N 307.394 -0.112 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1[C@@H]2CN([C@H]3CCN(C)C3=O)C[C@@H]21 1026054669 LLMUTIIIFSEGJB-UMBPPFEGSA-N 319.405 -0.145 30 20 DBED C#CCN1CC[C@H](CNC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1 1028803462 WNDNFUKKVZMKTF-MCIONIFRSA-N 307.394 -0.307 30 20 DBED CC#CCN1CC[C@H](CNC(=O)[C@H]2CN(C(C)=O)CCO2)C1 1028962778 BNYQNOJTTMVWHO-HUUCEWRRSA-N 307.394 -0.305 30 20 DBED CC#CCN1CC(CNC(=O)[C@@]23C[C@H]4C[C@@H](C(=O)N2)[C@H]3C4)C1 1031795748 WKRKNBPWWCWGQU-VYHVBIQSSA-N 301.390 -0.028 30 20 DBED C=C(Cl)CN1CC[C@H](N(C)C(=O)C[C@@H]2NC(=O)NC2=O)C1 1033158247 XASUGZPBTHUEAA-UWVGGRQHSA-N 314.773 -0.130 30 20 DBED CC(=O)N1CCOC[C@@H]1C(=O)N[C@@H]1CCCCN(CC#N)C1 1034533203 SOFCHKWASLYKJD-ZIAGYGMSSA-N 308.382 -0.272 30 20 DBED C#CCCN1CCO[C@H](CNC(=O)[C@@H]2CCCN2CC#C)C1 1035400647 PTGUXKYKNNTVKX-CVEARBPZSA-N 303.406 -0.076 30 20 DBED C#CCN1CCO[C@H](CNC(=O)c2cccc(C(N)=O)c2)C1 1035419952 KFKDOMMYBTXTFE-CQSZACIVSA-N 301.346 -0.151 30 20 DBED C#CCN1CCO[C@H](CNC(=O)c2cc(C)c(C(N)=O)cn2)C1 1035509105 VDBAKAMJVBVLLI-GFCCVEGCSA-N 316.361 -0.447 30 20 DBED C[C@H]1CN(C(=O)c2cn(C)c(=O)n(C)c2=O)CC[C@@H]1NCC#N 1036205447 XDLMOUCPIGSXHE-JQWIXIFHSA-N 319.365 -0.952 30 20 DBED C#CCCN1C[C@H]2C[C@H]1[C@H]2NC(=O)c1cn(CCOC)nn1 1037397209 WTKDOZIQGTVYRW-XBFCOCLRSA-N 303.366 -0.250 30 20 DBED C=C(Cl)CN1C[C@H]2C[C@H]1[C@@H]2NC(=O)CN1CC(=O)NC1=O 1037632159 XKOLXAITUNWHPK-VDDIYKPWSA-N 312.757 -0.520 30 20 DBED CC[C@@H]1CN(C(=O)CCn2ncn(C)c2=O)CC[C@@H]1NCC#N 1037887754 RIYJOOQYARNWLP-OLZOCXBDSA-N 320.397 -0.288 30 20 DBED C#CCCCC(=O)NC[C@]1(O)CCN(C(=O)Cc2cnc[nH]2)C1 1039576791 XURZMRVPOGLQJO-MRXNPFEDSA-N 318.377 -0.165 30 20 DBED Cc1nc[nH]c1C(=O)NC[C@@]1(O)CCN(C(=O)[C@H](C)C#N)C1 1040276549 YMTPLRJXBFCYCW-OTYXRUKQSA-N 305.338 -0.429 30 20 DBED Cc1nn(C)cc1C(=O)N1CC[C@@](O)(CNC(=O)[C@H](C)C#N)C1 1040759447 BATYDWRGFJBDIH-MEBBXXQBSA-N 319.365 -0.419 30 20 DBED Cc1nocc1C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1O 1041316533 SBGQRXQHYSJTCI-VXGBXAGGSA-N 314.305 -0.376 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)Cn2nccc2C)C1 1041963605 VDKUXKNIMSYKGD-UHFFFAOYSA-N 306.366 -0.153 30 20 DBED CSCCC(=O)N1CC(O)(CNC(=O)c2ccc(C#N)[nH]2)C1 1042604730 FEXKUCVEQODMCQ-UHFFFAOYSA-N 322.390 -0.057 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)CCc2cnc[nH]2)C1 1042943132 KNWOKKFMZLMUIC-UHFFFAOYSA-N 318.377 -0.309 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)[C@@H]2CC2(C)C)C1 1043040492 SSPKZOQOQVWNAW-RYUDHWBXSA-N 308.378 -0.240 30 20 DBED C#CCC1(C(=O)NCC2(O)CN(C(=O)[C@H]3CCOC3)C2)CCC1 1043348671 SBQVBGFUZIEHKG-ZDUSSCGKSA-N 320.389 -0.094 30 20 DBED CN(C(=O)[C@@H]1CNC(=O)N1)C1CN(Cc2cccc(C#N)c2)C1 1043704552 MPAUNSIPRYICNG-AWEZNQCLSA-N 313.361 -0.118 30 20 DBED C#Cc1cncc(C(=O)N(C)C2CN([C@@H](C)C(=O)NC)C2)c1 1043819817 DCUDMQPLQUHGDR-NSHDSACASA-N 300.362 -0.046 30 20 DBED C#CCNC(=O)CC(=O)N1CC(O)(CNC(=O)C(C)(C)C=C)C1 1044456635 YARLUMHLKYMLHP-UHFFFAOYSA-N 321.377 -0.972 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)C[C@H]2CCNC2=O)C1 1044470164 LXAKNFBLQKUJGB-LLVKDONJSA-N 323.393 -0.586 30 20 DBED Cc1c[nH]c(C(=O)N[C@@H]2CN(c3nccnc3C#N)C[C@@H]2O)n1 1044633431 JPXLSLYNXDTXLH-MNOVXSKESA-N 313.321 -0.641 30 20 DBED C=CCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCN(C)C2=O)C1 1045465628 BFMBLEAJGNYMJV-GFCCVEGCSA-N 323.393 -0.490 30 20 DBED Cn1cnc(C(=O)N2CCN([C@H]3CCN(CC#N)C3)CC2)n1 1046025902 NGHLDHDEUWVPNA-LBPRGKRZSA-N 303.370 -0.829 30 20 DBED C=CCN1CC[C@H](N2CCN(C(=O)[C@]3(C)CNC(=O)C3)CC2)C1 1046046778 IRNBXJKOIXKNNS-YOEHRIQHSA-N 320.437 -0.083 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@H](C)OC)C1 1046815011 WATHFAHNTLZFHO-TUAOUCFPSA-N 312.366 -0.698 30 20 DBED COCCO[C@H](C)C(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1046972003 QOKUTHBJIORIAO-GFCCVEGCSA-N 324.377 -0.859 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2nn(CC)nc2C)C1 1047650477 XKKYTNCNXMMOGO-STQMWFEESA-N 305.382 -0.253 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C(C)(F)F)C1 1048011224 QLZRAHWULQSGNO-VWYCJHECSA-N 318.320 -0.290 30 20 DBED CO[C@@H](C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C#CC2CC2)C1)C1CC1 1048821556 RCPZNXIHZQLQQR-OFQRWUPVSA-N 320.389 -0.145 30 20 DBED Cn1c(O)ncc(C(=O)N2CC3(CCN(CC#N)CC3)C2)c1=O 1050614041 KQHFJXZKKBCYGK-UHFFFAOYSA-N 317.349 -0.453 30 20 DBED CNC(=O)NCC(=O)N[C@@H](C)[C@H]1CCN(C(=O)C#CC(C)C)C1 1050678986 ISBSUNWRXMISBT-STQMWFEESA-N 322.409 -0.072 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H]1CN(C(=O)C2CC2)C[C@H]1C 1051721629 TYZCCWWRZLUZHQ-DGCLKSJQSA-N 305.378 -0.253 30 20 DBED C=CCN1CC2(C1)CN(C(=O)Cn1nnnc1C(C)C)CCO2 1053463819 PUWPJMNGVXWOAM-UHFFFAOYSA-N 320.397 -0.104 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)[C@H]1CCCN1C(C)=O)CCO2 1053545351 TYBWOLOLMDXJTM-OAHLLOKOSA-N 319.405 -0.066 30 20 DBED C#CCCN1CC2(CC[C@@H](CNC(=O)[C@@H]3CCNC3=O)O2)C1 1053640588 BSHHEJBATSMVAG-QWHCGFSZSA-N 305.378 -0.505 30 20 DBED CC(=O)N1CCC[C@H]1C(=O)NC[C@@H]1CCC2(CN(CC#N)C2)O1 1053692989 WYALOLHXWQCVSV-KBPBESRZSA-N 320.393 -0.130 30 20 DBED CNC(=O)CN1CC2(C[C@@H](NC(=O)c3cc(C#N)c[nH]3)CO2)C1 1053766961 ZJVIFTHQASQLKT-LLVKDONJSA-N 317.349 -0.795 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)[C@@]3(C)CCNC(=O)C3)CO2)C1 1053843067 DKMAVJHNKGRKSV-WFASDCNBSA-N 305.378 -0.505 30 20 DBED CCCn1cc(C(=O)N[C@H]2COC3(C2)CN(CC#N)C3)nn1 1053969244 JCCDYUAXFCHIJG-LLVKDONJSA-N 304.354 -0.215 30 20 DBED C=C(Cl)CN[C@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@@H]1C 1054968960 NACAPJNAQSBSBE-JQWIXIFHSA-N 314.817 -0.393 30 20 DBED N#Cc1ccc(N2CCN(C(=O)c3cc[n+]([O-])cc3)CC2)nn1 1055712800 RCGZAOVUOQSTSS-UHFFFAOYSA-N 310.317 -0.056 30 20 DBED C#CCCCC(=O)N[C@]1(CO)CCCN(C(=O)CC(N)=O)C1 1055909996 DZXMQFIEKGWIGD-OAHLLOKOSA-N 309.366 -0.865 30 20 DBED Cn1cncc1C(=O)N[C@H]1[C@@H]2CN(c3nccnc3C#N)C[C@@H]21 1056335375 GXYKYENQQFRGKT-IWIIMEHWSA-N 309.333 -0.054 30 20 DBED N#Cc1cncc(N2C[C@@H]3C(NC(=O)c4c[nH]c(=O)cn4)[C@H]3C2)n1 1056389523 NIPMCXZHVKZCDO-UWVGGRQHSA-N 323.316 -0.704 30 20 DBED N#Cc1ccc(N2C[C@H]3C(NC(=O)c4c[nH]c(=O)cn4)[C@@H]3C2)nn1 1056389689 NSXSAKXEWCZJAD-NXEZZACHSA-N 323.316 -0.704 30 20 DBED N#Cc1nc(=N[C@@H]2CCN(C(=O)c3csnn3)C2)cc[nH]1 1056741070 RTJVPFBCFHTCRY-MRVPVSSYSA-N 301.335 -0.052 30 20 DBED C=CCn1cc(C(=O)NCCN(CCO)C(=O)[C@H]2C[C@H]2C)nn1 1056862809 OLHNAOVKEPFNRF-NEPJUHHUSA-N 321.381 -0.329 30 20 DBED Cn1cnc(C(=O)N2CCCN(c3ccnc(C#N)n3)CC2)n1 1057132297 CBUNQKJFNSFHRM-UHFFFAOYSA-N 312.337 -0.171 30 20 DBED C=CCCO[C@H](C)C(=O)N(CCO)CCNC(=O)CCOC 1057144339 OWWXJCCPNOSSGI-CYBMUJFWSA-N 316.398 -0.059 30 20 DBED C#CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)C[C@@H](C)OC 1057165748 FIFTVNOJAXFYRX-OLZOCXBDSA-N 314.382 -0.613 30 20 DBED N#Cc1nccnc1N1CCC[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 1058231869 UOCQJXKLZRLNNA-GXSJLCMTSA-N 315.337 -0.885 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(CCO)CCNC(=O)c1cc[nH]n1 1058872770 DHZCJMSWTXIOCC-YPMHNXCESA-N 322.365 -0.449 30 20 DBED CN1CC[C@@H](C(=O)N2CC[C@H](Nc3cnc(C#N)cn3)C2)C1=O 1059031866 LNVXYDJLAUURNF-CMPLNLGQSA-N 314.349 -0.161 30 20 DBED Cc1cc(=NC[C@@H]2CCCCN2C(=O)C(N)=O)c(C#N)c[nH]1 1060300562 YVWDIBHBKSAMFO-LBPRGKRZSA-N 301.350 -0.038 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CC[C@H](CNC(=O)[C@@H]2CNC(=O)N2)CC1 1060815171 KEEKTXPGLMHKFW-BJDJZHNGSA-N 321.381 -0.381 30 20 DBED N#Cc1nc(=NC[C@H]2CCN(C(=O)C3(C(N)=O)CC3)C2)cc[nH]1 1060967903 RVKHQKBOMQZGPM-SNVBAGLBSA-N 314.349 -0.704 30 20 DBED CC#CCCCC(=O)N1CCOC[C@H]1CNC(=O)CC(=O)NC 1061524983 PHVLTMKNUWFQBC-CYBMUJFWSA-N 323.393 -0.340 30 20 DBED C=CCO[C@H](C)C(=O)NC[C@@H]1COCCN1C(=O)c1cnn[nH]1 1061670407 IZZUDPFUTFWUEE-GHMZBOCLSA-N 323.353 -0.647 30 20 DBED Cc1ncncc1C(=O)N1CCOC[C@H]1CNC(=O)[C@H](C)C#N 1061848493 ZBROOWPRTJVRJZ-ZYHUDNBSSA-N 317.349 -0.098 30 20 DBED C#CCCCC(=O)N1CCOC[C@H]1CNC(=O)Cn1cncn1 1061917757 NVWXTWMVWYUPFA-CYBMUJFWSA-N 319.365 -0.575 30 20 DBED Cc1cc(C#N)nc(N(C)C[C@H]2CCN(C(=O)CC(N)=O)C2)n1 1062099789 JRPNOEDOBMLWBX-LLVKDONJSA-N 316.365 -0.183 30 20 DBED N#Cc1ccc(N2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2COC(=O)N2)nn1 1062481270 JFPGZWBYUKREHP-GARJFASQSA-N 314.305 -0.754 30 20 DBED N#Cc1ccc(N2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CCC(=O)N2)nn1 1062513699 CCTDHEOIFFBTNS-SRVKXCTJSA-N 312.333 -0.584 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)C[C@@H]2CC(=O)NC2=O)CCC1 1064309875 CMNXIPYQQYYTLR-UWVGGRQHSA-N 320.349 -0.646 30 20 DBED N#Cc1ccc(N2CCOC[C@@H]2CNC(=O)c2cnn[nH]2)nn1 1066531318 QVBAYJOFYQVGFD-JTQLQIEISA-N 314.309 -0.898 30 20 DBED C[C@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1N=c1cc[nH]c(C#N)n1 1067077568 JISQOQDAZMGOTL-VHSXEESVSA-N 312.337 -0.529 30 20 DBED C=CCN1CCn2ncc(CNC(=O)C3CN(C(C)=O)C3)c2C1 1069859422 TZIIVCUKCYNJOA-UHFFFAOYSA-N 317.393 -0.021 30 20 DBED C[C@H]1CCCN1CC(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1 1070027259 VMBLYUYHLADKKQ-MJBXVCDLSA-N 317.397 -0.373 30 20 DBED C[C@]1(C(=O)N[C@@H]2CN(CC#N)C[C@@H]2n2ccnn2)CCOC1 1070064092 ATPUGFZGDLBLPR-DYEKYZERSA-N 304.354 -0.430 30 20 DBED C#CCO[C@H](C)C(=O)NC1(CNC(=O)COC)CCOCC1 1070118735 ZVKMAHSQZPFBGF-GFCCVEGCSA-N 312.366 -0.547 30 20 DBED C=CCN[C@@H]1CN(C(=O)[C@@H]2COCCN2C)C[C@@H]1n1ccnn1 1070180865 JSLOSJORZKACIV-RDBSUJKOSA-N 320.397 -0.864 30 20 DBED C=CCCC(=O)N1CCC[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 1070538893 QNLZBNRHIQWNKJ-MNOVXSKESA-N 322.365 -0.342 30 20 DBED N#CCN1C[C@H]2C[C@@H]3CN(C(=O)Cn4cccn4)C[C@@]3(C1)O2 1070758630 HFKIYGNNZPMEEQ-UMVBOHGHSA-N 301.350 -0.292 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)Cn2cncn2)CC1 1071019638 XKXVXVSXWYRUJI-UHFFFAOYSA-N 306.370 -0.885 30 20 DBED C[C@H]1CN(C(=O)Cn2cnnc2O)C[C@]2(CCN(CC#N)C2)O1 1071149045 FVADNARNDUGREV-SMDDNHRTSA-N 320.353 -0.801 30 20 DBED N#CCN1CCN([C@H]2CCCN(C(=O)c3ncc[nH]3)C2)C(=O)C1 1071262746 RVLMGMYJBOECKL-LBPRGKRZSA-N 316.365 -0.318 30 20 DBED C=CCCOCC(=O)N1C[C@@H](C)[C@@H](NC(=O)Cn2nccn2)C1 1072335714 GGEHDTDJJVHNFD-OLZOCXBDSA-N 321.381 -0.166 30 20 DBED C[C@H](C(N)=O)N1CCC2(CN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1072595302 MMTTWJOLFOXBHB-SNVBAGLBSA-N 301.350 -0.092 30 20 DBED C#CCN1CCC2(C1)CN(C(=O)Cn1ccc(O)nc1=O)C2 1072901300 JSEZWSQMCLEAQM-UHFFFAOYSA-N 302.334 -0.884 30 20 DBED C=CCOCC(=O)N1CC[C@@H](NC(=O)Cn2cnnn2)[C@@H](C)C1 1073692367 MAKRBXYFLBQVFF-NWDGAFQWSA-N 322.369 -0.771 30 20 DBED Cc1nc(CC(=O)N2CC[C@@H]3OCCN(CC#N)[C@H]3C2)n[nH]1 1074239109 XAIMJVGETAYICO-RYUDHWBXSA-N 304.354 -0.519 30 20 DBED CC(=O)N(C)CC(=O)N1CCC(O)(CNC(=O)[C@H](C)C#N)CC1 1074487001 NCJYECHGJSLBST-LLVKDONJSA-N 324.381 -0.906 30 20 DBED C[C@H](C#N)C(=O)N1CCC(O)(CNC(=O)c2cnsn2)CC1 1074705651 WIAJLCCZKATYFP-SECBINFHSA-N 323.378 -0.219 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CCN(C(=O)c2n[nH]cc2F)CC1 1074719790 DJRFKVYGPZBKAY-SECBINFHSA-N 323.328 -0.208 30 20 DBED C#CCOCCC(=O)N[C@H]1CCN(C(=O)CC(N)=O)[C@@H](C)C1 1074990339 FBOOQXPIODJEFN-RYUDHWBXSA-N 309.366 -0.603 30 20 DBED C=CCOCC(=O)NCC[C@H](C)NC(=O)c1cn(C)c(O)n1 1075918963 NRNZWJFOHAPMIB-JTQLQIEISA-N 310.354 -0.047 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H](C)CCNC(=O)CC(=O)NCC 1076221305 JTTBDMYQOZIWFG-NHYWBVRUSA-N 313.398 -0.149 30 20 DBED C#CCOCCC(=O)N[C@@H](C)CCNC(=O)C(C)(C)C(N)=O 1076966494 FROVJVWLJFSREE-NSHDSACASA-N 311.382 -0.451 30 20 DBED C=CCO[C@@H](C)C(=O)NCC[C@H](C)NC(=O)CNC(N)=O 1077066683 VHPOFHSULUYROK-UWVGGRQHSA-N 300.359 -0.743 30 20 DBED C=CCCC(=O)N[C@@H](C)CCNC(=O)C[C@@H]1NC(=O)NC1=O 1077120473 DAXIJOZHMIMRDJ-UWVGGRQHSA-N 310.354 -0.438 30 20 DBED Cc1ncc2n1CC[C@@H](C(=O)N[C@@H]1CN(CC#N)C[C@H]1O)C2 1077670648 BXUVIWYJWMBJIE-MRVWCRGKSA-N 303.366 -0.561 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)Cc2nc(C3CC3)nn2C)C1 1078205836 FQDSWTZQOXMELD-VXGBXAGGSA-N 305.382 -0.418 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(N(CC)C(=O)[C@@H](C)NC(C)=O)C1 1079266532 AGDCIAMEFMUVMH-VXGBXAGGSA-N 323.393 -0.391 30 20 DBED C#CCNC(=O)CC(=O)N(CC)C1CN(C(=O)[C@@H]2C[C@H]2C)C1 1079644740 RARMYTWTCWZAJD-DGCLKSJQSA-N 305.378 -0.159 30 20 DBED CC(=O)N(C)CC(=O)NC1(CO)CCN(C(=O)[C@@H](C)C#N)CC1 1080734084 WQWIKDNXCYNCGZ-NSHDSACASA-N 324.381 -0.906 30 20 DBED C#CCCCC(=O)NC1(CO)CCN(C(=O)c2nc[nH]n2)CC1 1080834044 JUXZFOIRPOMDDT-UHFFFAOYSA-N 319.365 -0.309 30 20 DBED CC(C)N(C)CC(=O)NC1(CO)CCN(C(=O)[C@H](C)C#N)CC1 1080889929 CKNNQCMSTNMJSB-CYBMUJFWSA-N 324.425 -0.044 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)CCn2cncn2)C1 1081267454 JPRMBQZWCYEWBD-CHWSQXEVSA-N 321.381 -0.430 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)Cc2nnc(C)o2)C[C@H]1O 1081335472 LSGADPOVBQMJHM-NWDGAFQWSA-N 322.365 -0.178 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)Cc2ccon2)C[C@H]1O 1081346859 NJEOXJZUZYPSFB-DGCLKSJQSA-N 323.349 -0.645 30 20 DBED C=CCC1(C(=O)N2C[C@H](CNC(=O)CC(N)=O)[C@@H](O)C2)CCC1 1081368890 ULGTVPCOQQBGMV-RYUDHWBXSA-N 323.393 -0.456 30 20 DBED C=CCCN1C[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)[C@H](OC)C1 1082351459 VLPQLRCCKYQBOY-CHWSQXEVSA-N 323.397 -0.718 30 20 DBED C=C(Cl)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CCNC1=O 1083161531 HJLVLPPFEJHDPD-GRYCIOLGSA-N 313.785 -0.213 30 20 DBED C=CCn1cc(C(=O)N2CCO[C@@H]3CN(CC#N)C[C@@H]32)nn1 1083217815 PFTQUFABQFJTOW-QWHCGFSZSA-N 302.338 -0.487 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2CN([C@@H](CC)C(N)=O)C[C@@H]2O)c1 1083765488 GZWRXJXSOHEQID-RDBSUJKOSA-N 316.361 -0.898 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CN(C[C@H]3CCOC3)C[C@@H]2O)nn1 1083843769 YOECNSYEXWWASC-BZPMIXESSA-N 321.381 -0.725 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](NC(=O)c2ccc(C(N)=O)nc2)C1 1084116487 SUAGVWJNALIEBT-KGLIPLIRSA-N 318.377 -0.078 30 20 DBED C=CCN1CC[C@H]1CN(C)C(=O)[C@@H]1CCN(C)S1(=O)=O 1085868406 OUOZSKNDPNTYAF-RYUDHWBXSA-N 301.412 -0.261 30 20 DBED CC#CCN1CC[C@H](NC(=O)CN2CC(=O)NC2=O)[C@H]1CC 1087764369 NAYOGIKCKQHFDJ-NWDGAFQWSA-N 306.366 -0.469 30 20 DBED N#CCSCC(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1O 1090394273 IXCKLMLVSCRGQV-GHMZBOCLSA-N 318.362 -0.729 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2cnc3cccnn23)[C@@H](O)C1 1090631613 UXZPCBOPGCTSSJ-JSGCOSHPSA-N 313.361 -0.082 30 20 DBED C=CCN1CC[C@H](NC(=O)c2cc(C(N)=O)ccn2)[C@H](O)C1 1090859702 YVMCJMPXSOODQE-WCQYABFASA-N 304.350 -0.469 30 20 DBED CC(C)OCC(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1091077619 JYONGKWKFZWLBH-MNOVXSKESA-N 305.338 -0.561 30 20 DBED COC[C@H](OC)C(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@@H]1O 1091177056 APEXDTFNZUYWEQ-XBFCOCLRSA-N 320.349 -0.720 30 20 DBED C=CCN1C[C@@H]2CN(C(=O)c3nnc(O)nc3O)C[C@]2(C)C1 1091823445 CTSQDZRPOQUNAD-OTYXRUKQSA-N 305.338 -0.137 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CCN(c2ncccc2C#N)C[C@@H]1O 1092126476 NDEZASCXMJVDEE-OLZOCXBDSA-N 317.349 -0.855 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CCN(c2ccc(C#N)nc2)C[C@@H]1O 1092128640 JQQPWQJYIKXSRD-KGLIPLIRSA-N 317.349 -0.855 30 20 DBED CC(=O)N[C@H](C)C(=O)NC1[C@H]2CN(c3cncc(C#N)n3)C[C@H]12 1093207493 HFNIVGABNVIKCT-ZHAHWJHGSA-N 314.349 -0.576 30 20 DBED COCC(=O)N[C@H](C)C(=O)NCCNc1ccc(C#N)cn1 1094185072 GQDFSLLITWVOOF-SNVBAGLBSA-N 305.338 -0.368 30 20 DBED C#CCN1CCN(C(=O)c2cc(C)[nH]n2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094611538 ONJNTLDGWYJCJY-QWHCGFSZSA-N 322.390 -0.725 30 20 DBED CC(=O)N[C@H](C)C(=O)N1CC[C@@H](N(C)c2cnc(C#N)cn2)C1 1095089989 IOPFGIXOVQLKGN-ZWNOBZJWSA-N 316.365 -0.090 30 20 DBED CN(CCCNC(=O)CCn1cnnn1)c1nccnc1C#N 1095618962 ABPSMXVMHZCCER-UHFFFAOYSA-N 315.341 -0.632 30 20 DBED N#Cc1ccc(N2CCC[C@H](NC(=O)CNC(N)=O)C2)cn1 1096136141 FQQBZTHMVPYKTI-NSHDSACASA-N 302.338 -0.293 30 20 DBED COCC(=O)NCCCN1CCN(c2ccc(C#N)nn2)CC1 1096245573 VYWPERTYSKRCSH-UHFFFAOYSA-N 318.381 -0.377 30 20 DBED CCNC(=O)CCC(=O)N[C@H]1CCN(c2ccnc(C#N)n2)C1 1096332687 JTKKHQLMZVFURX-NSHDSACASA-N 316.365 -0.041 30 20 DBED CCS(=O)(=O)CC(=O)N[C@H]1CCN(c2nccnc2C#N)C1 1096387912 CSWSHGRZEOFNFZ-JTQLQIEISA-N 323.378 -0.522 30 20 DBED CC(=O)N1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC#N)C1 1096462378 PQRXBDOJHLWJGP-ZOBORPQBSA-N 306.366 -0.521 30 20 DBED CNC(=O)CC(=O)N1CC[C@H](Nc2nc(C)cc(C#N)n2)C1 1096933306 HCFADKZGJDHTON-JTQLQIEISA-N 302.338 -0.194 30 20 DBED CC(=O)N1CC(C(=O)NC[C@@H](C)Nc2cncc(C#N)n2)C1 1097780126 SKUDRNNZNAGJLK-SECBINFHSA-N 302.338 -0.257 30 20 DBED C=C(C)CN(CCO)C1CCN(C(=O)Cn2cnnc2O)CC1 1098351078 GHFKFHSNNUMCAT-UHFFFAOYSA-N 323.397 -0.155 30 20 DBED C[C@@H](CNC(=O)c1cn(C)c(=O)cn1)N=c1cc[nH]c(C#N)n1 1098428436 BNUPDTGEHOFIFN-VIFPVBQESA-N 313.321 -0.906 30 20 DBED CC(=O)N[C@H](C)C(=O)NCC[C@H](C)N=c1cc[nH]c(C#N)n1 1098863592 JPBWZROHOXNLFM-VHSXEESVSA-N 304.354 -0.399 30 20 DBED COCC#CCN1CC(C)(C)CC[C@@H]1CNC(=O)CNC(N)=O 1098893883 CDFQVMHWCFHEHG-CYBMUJFWSA-N 324.425 -0.089 30 20 DBED C[C@H](CCNC(=O)[C@@H]1CN(C)CCO1)Nc1cncc(C#N)n1 1098998786 QAZIVMXIQSBGTL-YPMHNXCESA-N 318.381 -0.014 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)c2nnn(C)c2C)[C@H](O)C1 1099749431 JHJGAXURLGRHRG-CHWSQXEVSA-N 323.397 -0.509 30 20 DBED CC(C)=C(F)C(=O)N[C@H]1CCN(CC(=O)NCC#N)C[C@H]1O 1099766793 QHAUDGFVAHNHKH-WDEREUQCSA-N 312.345 -0.559 30 20 DBED C#CCN1CC[C@@H](NC(=O)COCc2cc(C)no2)[C@@H](O)C1 1099889513 BEDSLEQERRGZIA-KGLIPLIRSA-N 307.350 -0.316 30 20 DBED COC(=O)[C@@H]1C[C@H]1C(=O)NCCN(C)c1ccc(C#N)nn1 1099961386 RLXLXXRVDXTGLW-GHMZBOCLSA-N 303.322 -0.290 30 20 DBED C=C(C)CCN1CC[C@@H](NC(=O)CCn2cnnn2)[C@H](O)C1 1100046269 JGJJYWSESZZHKI-CHWSQXEVSA-N 308.386 -0.419 30 20 DBED CCOCCn1cc(C(=O)N[C@@H]2CCN(CC#N)C[C@@H]2O)cn1 1100051818 ZXZLUDDVAIVFES-KGLIPLIRSA-N 321.381 -0.392 30 20 DBED C=CCNC(=O)[C@@H](C)NC1CC(CNC(=O)c2ncn(C)n2)C1 1100298903 GVDICGLGKLBLLU-VOMCLLRMSA-N 320.397 -0.396 30 20 DBED COCC(=O)N(C)CC(=O)NCCN(C)c1ccc(C#N)cn1 1100375212 WXCBZJVVSFHEND-UHFFFAOYSA-N 319.365 -0.390 30 20 DBED CC(=O)N(C)CC(=O)NC[C@H]1CCCN1c1cnc(C#N)cn1 1100789253 CMNSXCSTQKSIIJ-CYBMUJFWSA-N 316.365 -0.088 30 20 DBED COCC#CCN1C[C@@H](C)[C@H](CNC(=O)CC(=O)N(C)C)C1 1102446072 NHWWSYOOESKGAT-ZIAGYGMSSA-N 309.410 -0.201 30 20 DBED C[C@H](NC(N)=O)C(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1C#N 1102547596 GXVTVGACFBJACA-GUBZILKMSA-N 315.337 -0.805 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)COCCN(C)C 1104039270 NIOGXGBHVUFORY-GFCCVEGCSA-N 320.397 -0.487 30 20 DBED Cc1cc(=NC[C@@H](C)CNC(=O)[C@H]2CNC(=O)N2)c(C#N)c[nH]1 1104183095 BFWFIPVOGGQSOU-NOZJJQNGSA-N 316.365 -0.471 30 20 DBED C[C@@H](CNC(=O)[C@H]1CNC(=O)N1)CNc1ccc(C#N)cn1 1104183639 MKWRABANUAMZPJ-MWLCHTKSSA-N 302.338 -0.201 30 20 DBED N#CCNCc1cn(C2CN(C(=O)c3n[nH]cc3F)C2)nn1 1105322172 CAUPMDZXEZBAKA-UHFFFAOYSA-N 304.289 -0.549 30 20 DBED CN(CCN(C)c1ccc(C#N)nn1)C(=O)CNC(=O)C1CC1 1105333567 OZCZYROJNAWNCA-UHFFFAOYSA-N 316.365 -0.231 30 20 DBED CN(CCN(C)c1cnc(C#N)cn1)C(=O)CCc1cnn[nH]1 1105569019 IPHQMOSLVYALFC-UHFFFAOYSA-N 314.353 -0.006 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)c2cnns2)nn1 1105723373 NPPDFLZUKQEOLI-MRVPVSSYSA-N 305.323 -0.597 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@H](O)CNc1cc(C)nc(CO)n1 1105805939 MPAAKCCDYZTKRG-XHDPSFHLSA-N 324.381 -0.507 30 20 DBED CCOCCOCC(=O)NC[C@H](O)CNc1ccc(C#N)nc1 1105872656 WHZGEBKEEARYRO-CQSZACIVSA-N 322.365 -0.105 30 20 DBED C=CCn1cc(C(=O)NC[C@@H](O)CNc2nccc(C)n2)nn1 1106132021 PZGOEAVYDHJLAF-LLVKDONJSA-N 317.353 -0.235 30 20 DBED COC[C@@H](C)CC(=O)NCc1cn(C2CN(CC#N)C2)nn1 1107226314 QEQJSQFIIYUEPJ-NSHDSACASA-N 306.370 -0.053 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)CCn1cncn1 1107648075 JMCUNAXIIRHRLB-SNVBAGLBSA-N 300.326 -0.631 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)c1cn(C)c(=O)cn1 1108217413 UBNLLVHDEHPPQB-SECBINFHSA-N 313.321 -0.906 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)C2(C(=O)N(C)C)CC2)C1 1108334542 MQIYHNAAKIDCTH-OAHLLOKOSA-N 307.394 -0.305 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)[C@@H]2CCN(C(C)=O)C2)C1 1108369102 JVQCRGNVXWOILP-ZBFHGGJFSA-N 307.394 -0.305 30 20 DBED COCC1(C(=O)N[C@H]2CC(=O)N(C3CN(CC#N)C3)C2)CCC1 1108556999 OUPVLBXWWGRZCQ-LBPRGKRZSA-N 320.393 -0.272 30 20 DBED C=C[C@H](CC)CC(=O)N[C@H]1CC(=O)N(C2CN(CCO)C2)C1 1108567180 YBLUVWSNRNBJEY-OLZOCXBDSA-N 309.410 -0.018 30 20 DBED C[C@@H](CN(C)c1nccnc1C#N)NC(=O)[C@H](C)CC(N)=O 1109205942 QROGXDCBVSELBE-ZJUUUORDSA-N 304.354 -0.199 30 20 DBED CS(=O)(=O)CC(=O)N[C@@H]1[C@H]2C[C@H]1N(c1ncccc1C#N)C2 1109693373 SWDLCPSZASQMOK-DMDPSCGWSA-N 320.374 -0.309 30 20 DBED N#Cc1cnc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)CC(N)=O)c(F)c1 1109697385 HWCFSVRIWBDUQN-DFAYQTQMSA-N 303.297 -0.339 30 20 DBED C[C@@H](CC(=O)NCC1(Nc2nccnc2C#N)CC1)NC(N)=O 1110237486 QSCRBDPNGNTVHD-VIFPVBQESA-N 317.353 -0.144 30 20 DBED CN1CC[C@H](C(=O)NCC2(Nc3ccc(C#N)nn3)CC2)C1=O 1110306981 ITOWEPICWOQMHG-LLVKDONJSA-N 314.349 -0.113 30 20 DBED N#Cc1ccc(N2CC[C@](O)(CNC(=O)c3cnon3)C2)cn1 1111091806 YLRXLXIPIINERW-AWEZNQCLSA-N 314.305 -0.293 30 20 DBED N#Cc1nc(=NCCN(CCO)C(=O)Cc2ccon2)cc[nH]1 1111439770 HDLHDBDIBPASRU-UHFFFAOYSA-N 316.321 -0.766 30 20 DBED CC[C@]1(C(=O)N2CCN(CC#CCOC)CC2)CCNC1=O 1112980362 ZMIMZZMMVXSBDK-INIZCTEOSA-N 307.394 -0.303 30 20 DBED Cc1ccc(C(=O)N[C@H]2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]32)cn1 1113866752 HDEZDCGUBKKMIA-NHAGDIPZSA-N 313.361 -0.310 30 20 DBED C=CCOCCN1C[C@H]2[C@H](NC(=O)CNC(=O)C3CC3)[C@H]2C1 1113940616 VYNDTBBTQOJZFI-NHAGDIPZSA-N 307.394 -0.238 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)Cc3cnn(C)c3)[C@@H]2C1 1113993269 VXQQLIDEMCKFET-CHWSQXEVSA-N 317.393 -0.689 30 20 DBED COCCc1nc(CN2C[C@H]3[C@H](NC(=O)[C@@H](C)C#N)[C@H]3C2)no1 1114066375 BXYQIVQCFMBQKO-KZWBYHQPSA-N 319.365 -0.035 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)c3cc(OC)no3)[C@@H]2C1 1114155128 GWUPTUONHGDVEN-NXEZZACHSA-N 318.333 -0.907 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H]1[C@@H]2CN(CC(=O)N(C)C(C)C)C[C@@H]21 1114271190 QSQCGLCOAMKHEU-NYTXWWLZSA-N 321.421 -0.062 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)CCN(C)C)[C@H]2C1 1114780180 GGJGRDRENIBWJH-CXTNEJHOSA-N 308.426 -0.325 30 20 DBED C#CCSCCNC(=O)C(=O)NCCCS(C)(=O)=O 1117409427 VHOPLLWRGIOXTE-UHFFFAOYSA-N 306.409 -0.980 30 20 DBED C#C[C@@H](NC(=O)C(=O)N1CCC(NC(C)=O)CC1)[C@@H]1CCCO1 1117544965 SQHXKVHLQFITHA-KGLIPLIRSA-N 321.377 -0.590 30 20 DBED Cc1noc([C@@H](C)NC(=O)C(=O)N2CC[C@](O)(CC#N)C2)n1 1118152973 RFAMRMOFGXSOSE-AMIZOPFISA-N 307.310 -0.568 30 20 DBED C[C@@]1(O)CCCN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)CC1 1118186314 HKWRHRAUXKYUTP-HUUCEWRRSA-N 309.366 -0.373 30 20 DBED N#CC[C@@H]1CCCN(C(=O)C(=O)N2CCN3CCOC[C@H]3C2)C1 1118450058 UBNWPMDNEAMZGU-UONOGXRCSA-N 320.393 -0.318 30 20 DBED CC1(C#N)CCN(C(=O)C(=O)N2CCOC[C@H]2CCO)CC1 1120507994 NTEWXJRMBIWPKY-GFCCVEGCSA-N 309.366 -0.252 30 20 DBED N#CCSCC(=O)NC[C@@H](CO)Nc1cnc(C#N)cn1 1121078853 IBFHERDNOPXIIJ-JTQLQIEISA-N 306.351 -0.506 30 20 DBED Cn1cncc1CC(=O)NC[C@@H](CO)Nc1ccc(C#N)nn1 1121798951 BPUNUIQAYOXFKO-NSHDSACASA-N 315.337 -0.787 30 20 DBED COCCO[C@@H](C)C(=O)NC[C@H](CO)Nc1ccc(C#N)nc1 1122012667 MPRLJTHCQDAKCG-SMDDNHRTSA-N 322.365 -0.106 30 20 DBED C#CCOCCC(=O)NC[C@@H](CO)N=c1cc(C)[nH]cc1C#N 1122028141 LKZXLGMUWUTOGX-AWEZNQCLSA-N 316.361 -0.388 30 20 DBED CCN(C)CCC(=O)NC[C@@H](CO)Nc1nccnc1C#N 1122029544 UWQIAWUWCHSBDU-NSHDSACASA-N 306.370 -0.421 30 20 DBED N#Cc1ccc(N2CC[C@@]3(NC(=O)CC(N)=O)CCC[C@@H]23)nn1 1123393474 GYOCTLFBPBBBPW-ABAIWWIYSA-N 314.349 -0.159 30 20 DBED CN(C[C@H](O)CNc1nccnc1C#N)C(=O)c1cncnc1 1124329553 LOBCEHJJXIWCMX-LLVKDONJSA-N 313.321 -0.317 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](O)CN(C)C(=O)c2nc[nH]n2)n1 1124460028 GTFHLMPDNBVFOY-SNVBAGLBSA-N 316.325 -0.680 30 20 DBED C#CCNC(=O)CC(=O)NCCN[C@@H](C)c1nc(COC)no1 1125981872 MRRCDQLVAJWDPD-JTQLQIEISA-N 323.353 -0.878 30 20 DBED C#CCO[C@@H](C)C(=O)NCCN[C@@H](C)C(=O)NC(=O)NC1CC1 1127051814 NEEOXKGZFOIARR-QWRGUYRKSA-N 324.381 -0.893 30 20 DBED CCOCC(=O)NCc1nc([C@H]2CC[C@@H](CNCC#N)O2)n[nH]1 1130756587 PKVCCWDGPFJXJP-WDEREUQCSA-N 322.369 -0.209 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)c1cccc2ncnn12 1130908133 HPWHXEBYVIBZJJ-NSHDSACASA-N 316.365 -0.261 30 20 DBED C#CCNC[C@H]1CN(C(=O)CCNC(=O)COC)CC[C@H]1C 1132875163 UIWXRTKHUNAMHY-KGLIPLIRSA-N 309.410 -0.154 30 20 DBED COCC(=O)NCCC(=O)N1CC[C@@H](C)[C@@H](CNCC#N)C1 1132875511 ZMAJTOQLUBOZIT-OLZOCXBDSA-N 310.398 -0.263 30 20 DBED C[C@@H](C[C@H](C)NC(=O)CSCC#N)NCC(=O)NCC#N 1133735359 CSZVXHNURWWBGB-QWRGUYRKSA-N 311.411 -0.244 30 20 DBED C=CCOCCNCCNC(=O)c1ccc2nnc(O)n2c1 1135241761 DLBHDKDUOKEIIR-UHFFFAOYSA-N 305.338 -0.043 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1cccn2ccnc12 1135253574 ITECUMWJBHKNRT-UHFFFAOYSA-N 301.350 -0.044 30 20 DBED C#CCN[C@H](C)C[C@@H](C)NC(=O)CN1C(=O)NC(C)(C)C1=O 1136112428 SPVZYMMCBAZFKI-GHMZBOCLSA-N 308.382 -0.177 30 20 DBED C#Cc1ccc(C(=O)NCCNCc2nc(=O)n(C)[nH]2)nc1 1148369963 BOHFVNQVQCQPRK-UHFFFAOYSA-N 300.322 -0.996 30 20 DBED Cc1csc(=O)n1CC(=O)NC[C@H]1CN(CC#N)CCCO1 1150707160 UKIHGXOJIOCMQE-LBPRGKRZSA-N 324.406 -0.051 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)Cc1n[nH]c(C)n1 1157745172 GLBMVFYXDLZDKG-SNVBAGLBSA-N 308.386 -0.558 30 20 DBED C#Cc1cncc(C(=O)NCCCN[C@@H](C)C(=O)NC(N)=O)c1 1166305250 PJPWHXIAQWKWHL-JTQLQIEISA-N 317.349 -0.644 30 20 DBED C=CCN(CC=C)C(=O)CNCCCNC(=O)CC(=O)N(C)C 1167803395 PWTRQLRQLAMOON-UHFFFAOYSA-N 324.425 -0.239 30 20 DBED C#CCNC(=O)CNCCCC[C@H](C)NC(=O)c1ncn(C)n1 1170587903 QBNHETXQRAPFCQ-LBPRGKRZSA-N 320.397 -0.557 30 20 DBED CCCC(=O)NCC(=O)N1CC[C@@H]2OCCN(CC#N)[C@H]2C1 1176943371 JIJJDEWRFLZLLR-STQMWFEESA-N 308.382 -0.272 30 20 DBED C=CCCC(=O)N1CC[C@H]2OCCN(Cc3nnnn3C)[C@@H]2C1 1176949018 IJJCDHZMBMUIOD-CHWSQXEVSA-N 320.397 -0.022 30 20 DBED C=CCOCC(=O)N1CC[C@@H]2OCCN(CC(=O)NC)[C@H]2C1 1176950061 XQCOLMBMENSJOV-STQMWFEESA-N 311.382 -0.763 30 20 DBED C#CCCN1CCO[C@H]2CCN(C(=O)CCNC(=O)NC)C[C@H]21 1176998423 AKINHRKKDIUYES-KGLIPLIRSA-N 322.409 -0.370 30 20 DBED C#CCCN1CCO[C@@H]2CCN(C(=O)CCNC(N)=O)C[C@H]21 1177143087 BEYZYWOKHOLLJK-CHWSQXEVSA-N 308.382 -0.630 30 20 DBED C#CCN[C@H]1CCN(C(=O)CCCN2C(=O)CNC2=O)[C@H]1C 1180101298 XUKPXOWJTJGODR-RYUDHWBXSA-N 306.366 -0.469 30 20 DBED C#CCOCCC(=O)N1C[C@@H](C)[C@](C)(CN[C@H]2CCNC2=O)C1 1181449216 YTKOXVSMNFSOHC-JKIFEVAISA-N 321.421 -0.011 30 20 DBED C=CCNC[C@]1(C)CN(C(=O)[C@H]2CCS(=O)(=O)N2)C[C@H]1C 1183432691 LMWFWNAJHHRPRF-YRGRVCCFSA-N 315.439 -0.062 30 20 DBED Cn1nc(C(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)cc1Cl 1184107955 LMXKKGJLRYWART-SECBINFHSA-N 324.772 -0.483 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)CCc2cn[nH]c2)C1 1186206479 PNZINGWUQYLHDU-CYBMUJFWSA-N 303.366 -0.718 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)C2(C(=O)NC)CC2)C1 1186339075 MZXXNMPXORSVOM-NWDGAFQWSA-N 322.409 -0.606 30 20 DBED Cc1nc[nH]c1CC(=O)N1CC[C@@H](NCC(=O)NCC#N)C1 1187420114 AWZFPJFOAKRPMO-LLVKDONJSA-N 304.354 -0.909 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@@H](N(C)Cc2nnnn2C)C1 1190094929 OOIMYHGHXIKRBQ-VXGBXAGGSA-N 306.370 -0.719 30 20 DBED CC#CCN(C)[C@H]1CCN(C(=O)CCNS(C)(=O)=O)C1 1190462387 HXCZHBROTVKRIO-LBPRGKRZSA-N 301.412 -0.518 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C2CC(F)(F)C2)C1 1192137175 QNHFWKVPFQZVRE-GHMZBOCLSA-N 317.336 -0.505 30 20 DBED CC#CCN(C)[C@@H]1CCN(C(=O)C(C)(C)NS(C)(=O)=O)C1 1192749885 RGXPJNWOVAMTRI-GFCCVEGCSA-N 315.439 -0.130 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)c2ccnn2C)C1 1193075691 JNJWHHAPVYJHRI-GZBFAFLISA-N 322.409 -0.113 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C2CCC=CCC2)C1 1198706029 DMFKUOINAKVIRP-HUUCEWRRSA-N 319.405 -0.357 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)C(C)(C)NC(=O)NCCC)C1 1199043500 VHAPKUNBZMGEJB-CHWSQXEVSA-N 324.425 -0.341 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)N[C@@H]1CN(CC#CC)C[C@H]1O 1199095679 JFNBSLBFIWUFNC-CHWSQXEVSA-N 322.409 -0.565 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2cnn(C)n2)C[C@H]1O 1199314646 RXDZIAKYBZECQJ-CYZMBNFOSA-N 309.370 -0.933 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CCN(C(=O)CC(=O)NCC)CC1 1200186555 BOBBKLNYGWDISE-GFCCVEGCSA-N 322.409 -0.769 30 20 DBED C#CCNC[C@@H]1CN(C(=O)[C@@H](C)N2C(=O)CCC2=O)CCCO1 1200635898 XMCQRXAMKKRVER-CHWSQXEVSA-N 321.377 -0.636 30 20 DBED COCC#CCNC1CCN(C(=O)[C@@H]2CC(=O)N(C)C2)CC1 1200850722 NUCJJERMGNNVDI-CYBMUJFWSA-N 307.394 -0.305 30 20 DBED N#CCNC(=O)CNC1CCN(C(=O)c2cncnc2O)CC1 1201189412 FGTJQAXIAGNTKD-UHFFFAOYSA-N 318.337 -0.984 30 20 DBED COc1c(C(=O)N2CCCO[C@H](CNCC#N)C2)cnn1C 1201957836 HCEHJFWIJFMOCQ-LLVKDONJSA-N 307.354 -0.227 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(NCC(=O)NC(N)=O)CC1 1202559642 IKWRFAXVXSPOTP-NEPJUHHUSA-N 324.381 -0.647 30 20 DBED CN1CCC[C@@H]1C(=O)N1CCC(CNCC(=O)NCC#N)CC1 1204798401 IOVHBUVVJVIHAY-CQSZACIVSA-N 321.425 -0.451 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)C2=CCOCC2)CC1 1205050183 LKBAXUKRZLHLDJ-UHFFFAOYSA-N 319.405 -0.089 30 20 DBED Cc1cncn1CC(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1208004805 FUTAXJGCTVJOEF-DGCLKSJQSA-N 318.381 -0.732 30 20 DBED COCC#CCN1C[C@@H](NC(=O)C(=O)NCC2CC2)[C@H](C)C1 1209815700 LSWDDJSHUZGCEM-TZMCWYRMSA-N 307.394 -0.401 30 20 DBED C=CCCN[C@H]1CCCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)C1 1209939507 FLXOMEYMVZFQAC-NSHDSACASA-N 322.365 -0.436 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC[C@H](NCC(N)=O)C1 1209982762 POLIVSQRSNQWCM-QWHCGFSZSA-N 310.398 -0.477 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)CCCC(N)=O)[C@H](C)C1 1211454582 QLWGZCRYUAQANJ-FRRDWIJNSA-N 324.425 -0.231 30 20 DBED COCC#CCN1C[C@@H](NC(=O)c2ccnnc2C)[C@H](OC)C1 1213126368 DKXUWKUFTFWVKS-HUUCEWRRSA-N 318.377 -0.136 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)CCCF)[C@H](OC)C1 1213290511 RHONYPCSPDXFDP-JHJVBQTASA-N 313.373 -0.311 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)c2oncc2C)[C@H](OC)C1 1213669577 JZIMLCHRMHXGGL-VXGBXAGGSA-N 322.365 -0.286 30 20 DBED C=CCOCCCC(=O)N[C@@H]1CN(CC#CCOC)C[C@@H]1O 1219426555 IHQDMCHNTVPVCF-CABCVRRESA-N 310.394 -0.220 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(CCc2ccns2)C[C@@H]1O 1219605010 GOERQHCVUUPKAC-BNOWGMLFSA-N 323.418 -0.115 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC(NC(=O)[C@H](C)OCC#C)CC1 1227308500 XESRCOCRRQQXHC-KBPBESRZSA-N 319.405 -0.257 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)[C@@H]2CC[C@H]2C(N)=O)CC1 1228588511 GNZMNPRBGVSJPW-CHWSQXEVSA-N 322.409 -0.619 30 20 DBED C=CCNC(=O)CN1CC[C@H]1CN(C)C(=O)[C@H](C)NC(C)=O 1230658665 DMBSUNZOUHNEPD-AAEUAGOBSA-N 310.398 -0.654 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@@H]1CN(C)C(=O)c1cocn1 1231199503 ZFVLSSLKUDAYGN-VXGBXAGGSA-N 304.350 -0.041 30 20 DBED C#C[C@H](NC(=O)N(C)CCNS(C)(=O)=O)[C@H]1CCCO1 1255218917 YHGOIORGYNONBA-WDEREUQCSA-N 303.384 -0.642 30 20 DBED C=CCOCCNC(=O)C(=O)N1CCC(Cn2cncn2)CC1 1261582226 LPZPXEOXRQXCJD-UHFFFAOYSA-N 321.381 -0.165 30 20 DBED C=CCNC(=O)CN1CCC[C@@H](NC(=O)c2cnn(C)n2)C1 1267618508 UFZQUPZXBRYBPL-LLVKDONJSA-N 306.370 -0.689 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)c2cnc(O)n2C)C1 1316984130 DUCKSDAYPSADKH-JTQLQIEISA-N 307.354 -0.768 30 20 DBED CN(CCC#N)C(=O)CCN1CCC2(CC1)NC(=O)NC2=O 1319997677 WEIOOQQCKYWQOY-UHFFFAOYSA-N 307.354 -0.577 30 20 DBED C[C@H](CO)CCCNC(=O)C(=O)NC1CCN(CC#N)CC1 1322561280 BDIFWYJJQMGHNM-LBPRGKRZSA-N 310.398 -0.385 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1323584642 HWWKWRMKTBUFKR-GARJFASQSA-N 320.411 -0.416 30 20 DBED C=CCCOCCNC(=O)C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 1324092758 WHKGOFQDIFLLHH-LLVKDONJSA-N 309.366 -0.425 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)NCCCO[C@@H]1CCOC1 1324211977 VHDMIMFVFFYBHJ-VXGBXAGGSA-N 300.355 -0.385 30 20 DBED CNC(=O)[C@@]1(C)CCN(C(=O)C(=O)Nc2cnn(CC#N)c2)C1 1325052652 WZJIWALCFZDGGD-AWEZNQCLSA-N 318.337 -0.670 30 20 DBED C=CCNC(=O)N(CC)CC(=O)N[C@H]1CCS(=O)(=O)C1 1327632696 SZSDPPOXPOHVGS-JTQLQIEISA-N 303.384 -0.493 30 20 DBED COCCC1(CNC(=O)C(=O)N2CC[C@](O)(CC#N)C2)CC1 1329350184 LMTGTWZFVXHWTE-OAHLLOKOSA-N 309.366 -0.204 30 20 DBED CCN(CC)C(=O)CNC(=O)CCN/C(O)=C1\N=CC=CC1=O 1329891611 NWZDWMRORBGUFV-CCEZHUSRSA-N 322.365 -0.113 30 20 DBED C#CCN(C(=O)C(=O)NC[C@@H]1CCCCS1(=O)=O)C(C)C 1333545236 NASXZZGZUJVZSO-LBPRGKRZSA-N 314.407 -0.060 30 20 DBED C#CCCn1nnnc1N1CCC(C(=O)NCCOC)CC1 1334345936 CLVAEHFTUCWWOB-UHFFFAOYSA-N 306.370 -0.325 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CC[C@H](OCC)C2)nn1 1334969058 YEOBRZQDILVGJF-LBPRGKRZSA-N 307.354 -0.282 30 20 DBED C=CCNC(=O)Cn1nnnc1N1CCO[C@H](C(F)(F)F)C1 1335436623 KQVDIHQCVRVVID-QMMMGPOBSA-N 320.275 -0.257 30 20 DBED N#CCNC(=O)CNC(=O)CSc1nnc2ccccn12 1341881554 CEIHZVIWDUBWDU-UHFFFAOYSA-N 304.335 -0.423 30 20 DBED C=CCn1c([C@H](C)O)nnc1N(C)CC(=O)N1CCOCC1 1342116112 OQVIXBFTORVXNF-NSHDSACASA-N 309.370 -0.188 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N[C@@H]1CCO[C@@]2(CCOC2)C1 1346866652 OJFVHZVQYQIYHZ-PBHICJAKSA-N 318.373 -0.074 30 20 DBED C=C(C)COCCNC(=O)C(=O)N1CCN(C(C)=O)C[C@@H]1C 1347095771 VVYRYYJLJDJBHN-LBPRGKRZSA-N 311.382 -0.226 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)NCCCn1cncn1 1352402633 SETHFXLBHVJPAO-GFCCVEGCSA-N 307.354 -0.671 30 20 DBED N#Cc1cn(CCC(=O)N(CCCO)C2CC2)c(=O)nc1O 1362289460 COMMGPBQGVVKAT-UHFFFAOYSA-N 306.322 -0.416 30 20 DBED CN(Cc1nnc2c(=O)[nH]ccn12)S(=O)(=O)CC(C)(C)C#N 1364930456 FIDAAXSHBRNMNA-UHFFFAOYSA-N 324.366 -0.271 30 20 DBED C[C@@H]1CN(Cc2cc(O)n3ncc(C#N)c3n2)C[C@H](CO)O1 1365295303 LERJXDNULNFNCY-BXKDBHETSA-N 303.322 -0.112 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CCN(C(=O)c2cc(C(N)=O)c[nH]2)C1 1372525126 YHLPODDNSVWZDK-WPRPVWTQSA-N 303.322 -0.396 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@@H](O)CNC(=O)c2ccc[nH]2)c1 1389063928 SLXZQBJGNPZIHL-JTQLQIEISA-N 301.306 -0.265 30 20 DBED C=C(Cl)CNC[C@H](O)CN(C)C(=O)CCn1cnnn1 1394757693 XMFAMGMFYNLRQY-JTQLQIEISA-N 302.766 -0.775 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)CCn2cnccc2=O)C1 1397157220 BMUCOIQOLVGAOA-RYUDHWBXSA-N 317.349 -0.490 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H](CNC(=O)c1c[nH]c(=O)cn1)C1CC1 1407704949 UPDGDIYELXXVFX-WPRPVWTQSA-N 303.322 -0.446 30 20 DBED C[C@@H](C#N)C(=O)NCCN1CCN(Cc2csnn2)CC1 1417916513 HJVUCERPYZSFQE-NSHDSACASA-N 308.411 -0.068 30 20 DBED C[C@H](O)[C@@H](NC(=O)C1CCCC1)C(=O)N1CC[C@](O)(CC#N)C1 1418179922 YAFXMJPGCLUOLD-NORZTCDRSA-N 323.393 -0.081 30 20 DBED CNC(=O)NCC(=O)N1[C@H]2CC[C@H]1CN(C(=O)[C@@H](C)C#N)C2 1428045959 OIBSIEQAEQYVNR-DCAQKATOSA-N 307.354 -0.723 30 20 DBED C[C@H](C#N)C(=O)N1CCN(CCNC(=O)[C@H]2CCN(C)C2)CC1 1429781733 KQGSLSPTOLSIRC-KGLIPLIRSA-N 321.425 -0.642 30 20 DBED CCS(=O)(=O)CC(=O)N1CC[C@@H](NC(=O)[C@@H](C)C#N)C1 1429873740 OENSDPYIJZJPTP-VHSXEESVSA-N 301.368 -0.702 30 20 DBED C[C@H](C#N)C(=O)N(C)CCN(C)CCCS(=O)(=O)N(C)C 1438862622 GOPTXVOZTNOWEN-GFCCVEGCSA-N 318.443 -0.182 30 20 DBED CNC(=O)NC(=O)CN1CCC(N(C)C(=O)[C@@H](C)C#N)CC1 1440981621 ALJBLFCJULCHNK-JTQLQIEISA-N 309.370 -0.476 30 20 DBED COCC(=O)NCCC(=O)NC[C@H](C)N(C)C(=O)[C@@H](C)C#N 1449975731 MLSIMGGMJBDIQW-QWRGUYRKSA-N 312.370 -0.738 30 20 DBED N#Cc1ccc(C(=O)NC2(CNC(=O)[C@@H]3CCC(=O)N3)CC2)[nH]1 1453493676 TYOGLHOGPFCUFU-JTQLQIEISA-N 315.333 -0.456 30 20 DBED CC(C)OC(=O)C(C)(C)NS(=O)(=O)N1CCO[C@H](C#N)C1 1475768721 JGUFGJRATLBWME-SNVBAGLBSA-N 319.383 -0.225 30 20 DBED C=C(Cl)CNC[C@H](C)N(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 1482337610 KBHDQCUPQGHQLZ-IUCAKERBSA-N 302.762 -0.227 30 20 DBED C[C@@H](C#N)C(=O)NCCN1CCN(C(=O)c2ccnn2C)CC1 1493183824 JJOWSEAEZIJTLK-LBPRGKRZSA-N 318.381 -0.546 30 20 DBED C=CCCO[C@@H](C)C(=O)N[C@H]1CCN(CC(=O)NC(N)=O)C1 1494695138 CMLJRASQCPBTHI-QWRGUYRKSA-N 312.370 -0.647 30 20 DBED C#CCOCCC(=O)N1CCC2(CC1)CN(C[C@@H](O)COC)C2 1495974100 LJLWIRPVYJNGPH-OAHLLOKOSA-N 324.421 -0.042 30 20 DBED COc1ncc(C(=O)N2CC(CNC(=O)[C@@H](C)C#N)C2)cn1 1498678677 SVTKQTYTXFAZMP-VIFPVBQESA-N 303.322 -0.167 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1ccc2cc[nH]c2n1 1501554159 KMMMWYCJGCMBMU-ONGXEEELSA-N 315.333 -0.071 30 20 DBED C=CCCOCC(=O)N[C@@H]1CCN(CCN2C(=O)CNC2=O)C1 1567901615 JAHJASCTSQXMQK-GFCCVEGCSA-N 324.381 -0.679 30 20 DBED C=C(C)Cn1c([C@H]2COCCN2)nnc1N1CCNC(=O)C1 1574843700 HHAJHLBBPQAXGL-LLVKDONJSA-N 306.370 -0.549 30 20 DBED CNC(=O)[C@@H]1CCCN(c2cnc(-c3nn[nH]n3)c(C#N)n2)C1 1579387265 XSYXOHKXVZQSRE-MRVPVSSYSA-N 313.325 -0.509 30 20 DBED N#Cc1cccc([C@H](O)CN2CCNC(=O)CC23CNC3)c1 1580075988 MOZJKVHMYQOIHZ-CQSZACIVSA-N 300.362 -0.244 30 20 DBED C=C[C@@H](O)C(=O)N1CCc2c(sc(N)c2-c2nn[nH]n2)C1 1588525407 HEELETPMCXYIGX-SSDOTTSWSA-N 306.351 -0.058 30 20 DBED Cc1n[nH]c(C)c1NC(=O)Cn1cnc(C#N)c1-c1nn[nH]n1 1592325430 KCJBJRSGUCMMDN-UHFFFAOYSA-N 312.297 -0.086 30 20 DBED N#CCC1CCN(C(=O)C(=O)N2C[C@@H](C(=O)O)C[C@@H](O)C2)CC1 1601064171 NNQQAPRWWNDZEH-NWDGAFQWSA-N 323.349 -0.567 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC(CNC(=O)[C@H]3C[C@H]3C(=O)O)C2)c1 1601084077 GTQSJXQRPUKDHV-WDEREUQCSA-N 316.317 -0.205 30 20 DBED N#Cc1ccc(C(=O)NCCn2cc(C(=O)O)nn2)cc1O 1601092598 UPSPOHSVEFGWGU-UHFFFAOYSA-N 301.262 -0.016 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)O[C@@H]1CCN(CC(=O)O)C1=O 1602709985 NHNUYCWFCAWGKE-WDEREUQCSA-N 312.322 -0.314 30 20 DBED C[C@@H](CNc1cncc(-c2nn[nH]n2)n1)NC(=O)[C@@H](C)C#N 1602983226 GNYMVTVIIXHBDS-YUMQZZPRSA-N 301.314 -0.267 30 20 DBED C[C@@H]1C[C@@H](NCC#N)CN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1 1603859236 YWPHOBYRMYJSNT-RKDXNWHRSA-N 300.326 -0.089 30 20 DBED N#CCNC(=O)CN1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CCCCO1 1752531959 GPINKDFUPXHRRI-HZSPNIEDSA-N 320.393 -0.130 30 20 DBED C=CCNC(=O)NC(=O)CN[C@H](C)CNC(=O)c1nonc1C 1752925120 VCNDTJPRAAPMFU-MRVPVSSYSA-N 324.341 -0.902 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@@H]1CCN(C(=O)Cn2ccnc2)C1 1752962064 BJCZOBRBFCGTAR-KGLIPLIRSA-N 317.393 -0.541 30 20 DBED C#CCOCCC(=O)NC[C@H]1CCCN1CC(=O)N1CCC1 1753104006 WYOOYCCIXZSQJK-CQSZACIVSA-N 307.394 -0.161 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@H]1CCN(Cc2nnnn2C)C1 1753122883 QFOHESFDIGRGKE-SMDDNHRTSA-N 308.386 -0.525 30 20 DBED CO[C@H](C(=O)NC[C@@H]1CCN(CC(=O)NCC#N)C1)C(C)C 1753132707 CGWWMBVWPAFCGH-JSGCOSHPSA-N 310.398 -0.265 30 20 DBED C#CCOCCC(=O)N(C)CCNC[C@H]1CCS(=O)(=O)C1 1753188149 KPSWSTDXNDMEMN-CYBMUJFWSA-N 316.423 -0.491 30 20 DBED C#CCNC(=O)CNCCN(C)C(=O)C1CCN(C(C)=O)CC1 1753259139 MJQAIYWQOKONKB-UHFFFAOYSA-N 322.409 -0.958 30 20 DBED CN(C(=O)CSCC#N)[C@@H]1CCN(Cc2nnn(C)n2)C1 1753430593 UJNQWBLSNVBPLI-SNVBAGLBSA-N 309.399 -0.500 30 20 DBED C#CCCNC[C@H](O)CNC(=O)c1cccc2nc(O)[nH]c12 1753914633 UZYIGXVTKRZOHB-JTQLQIEISA-N 302.334 -0.028 30 20 DBED CC#CCNC[C@@H](O)CNC(=O)c1cc2c(nc1O)CCOC2 1753932971 AEGNPKHADWUFKE-GFCCVEGCSA-N 319.361 -0.437 30 20 DBED C#CCNC(=O)[C@@H](C)NCC[C@@H](C)NC(=O)c1cn(C)nn1 1753962545 SGCYRUHRMWFXNQ-GHMZBOCLSA-N 306.370 -0.949 30 20 DBED CCc1nc[nH]c1C(=O)N[C@@H](C)CCNCC(=O)NCC#N 1754017993 MKZJESQADJYERP-JTQLQIEISA-N 306.370 -0.290 30 20 DBED C#CCNC(=O)[C@H](C)N1CC(N(C)C(=O)CN2CCCC2)C1 1754586174 GLNNISPRTFYUBF-ZDUSSCGKSA-N 306.410 -0.637 30 20 DBED C#CCN1CCC[C@](C)(CNC(=O)Cn2nc(C)n(C)c2=O)C1 1754733276 LFMMKEWOPRESPZ-MRXNPFEDSA-N 319.409 -0.258 30 20 DBED C#CCCN1CC(O)(CNC(=O)[C@@H](C)OC[C@H]2CCCO2)C1 1754779720 GTIJMNZFUILDIC-ZIAGYGMSSA-N 310.394 -0.243 30 20 DBED Cc1[nH]ccc1C(=O)NC[C@@H]1COCCN1CC(=O)NCC#N 1754965109 GSNMHSTUYKKFBA-GFCCVEGCSA-N 319.365 -0.607 30 20 DBED C=C(Cl)CN1CCOC[C@H]1CNC(=O)C1(C(N)=O)CC1 1754971282 KGTYKEQUDZNTPD-SNVBAGLBSA-N 301.774 -0.179 30 20 DBED COCC#CCN1CC(N2CCN(C(=O)CCN(C)C)CC2)C1 1755146318 NUXMNSAAZODPOO-UHFFFAOYSA-N 322.453 -0.584 30 20 DBED CN(CC(C)(C)CNCC#N)C(=O)c1nccnc1C(N)=O 1755286948 HGSADAMYRLEAFL-UHFFFAOYSA-N 304.354 -0.213 30 20 DBED C#CCNC(=O)CN1C[C@H](NC(=O)c2cnsn2)C(C)(C)C1 1755405109 JDPSJUVLKXCGNA-NSHDSACASA-N 321.406 -0.272 30 20 DBED C#CCN[C@@H](CO)CNC(=O)c1cccnc1N1CCCC1 1755639929 BGSLGIYFVSQNER-CYBMUJFWSA-N 302.378 -0.005 30 20 DBED C=C[C@](C)(O)CC(=O)NC1(CCO)CN(C(=O)[C@@H](C)OC)C1 1756080471 WCMFBTINDVZVLN-RISCZKNCSA-N 314.382 -0.572 30 20 DBED C=CCOCCCC(=O)NCC1[C@@H]2CN(C(=O)C(N)=O)C[C@@H]12 1756196382 JRUWEUFLHBXWPX-RYUDHWBXSA-N 309.366 -0.725 30 20 DBED C=CCOCC(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)CC(N)=O 1757399470 RMSQITHBOWVVRS-NEPJUHHUSA-N 311.382 -0.192 30 20 DBED C#CC(=O)N1CCC(N2CCC(NC(=O)CN(C)C)CC2)CC1 1834468489 PUGUQGBSFVUSDZ-UHFFFAOYSA-N 320.437 -0.247 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC(=O)NCC(C)C)C1=O 5806669 UBMYECKCJOOXES-UHFFFAOYSA-N 310.310 -0.555 30 20 DBED CN(CCC#N)S(=O)(=O)N[C@@H](Cc1ccccc1)C(N)=O 68577653 PJSAVPYTEFRDDX-LBPRGKRZSA-N 310.379 -0.237 30 20 DBED C#CCCCOC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 126443807 QAQRYPFPYVLEBQ-UHFFFAOYSA-N 304.306 -0.610 30 20 DBED C=CCN(CCOC)S(=O)(=O)c1cnn(CC(=O)O)c1 234716286 WVWADCPKABVXAE-UHFFFAOYSA-N 303.340 -0.209 30 20 DBED C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCO[C@@H](C(N)=O)C1 250568222 VNJDWKNSTNYMBB-VXGBXAGGSA-N 308.382 -0.096 30 20 DBED CN(C)C(=O)CN/C(=N\C1CC1)N[C@H]1CCc2ncnn2C1 262339257 WQWXIHYZRCILIL-NSHDSACASA-N 305.386 -0.621 30 20 DBED Cn1c(N2CC[C@@H](N3CC=CC3)C2)c(C#N)c(=O)n(C)c1=O 266283517 UZUOMLYCFMZFRK-LLVKDONJSA-N 301.350 -0.594 30 20 DBED CCOC(=O)CO/N=C(/C(=O)N1CC[C@@H](CO)C1)c1cc[nH]n1 278448247 GAISQPMLMAAIDM-VFDYIDLISA-N 324.337 -0.466 30 20 DBED COCCN1CN(CC(=O)NCc2ccc(C#N)cc2)CC1=O 282556190 URJOIOHIVAIIBM-UHFFFAOYSA-N 316.361 -0.077 30 20 DBED C=CCN1CC[C@@H](N2CCC[C@](O)(Cn3ccnn3)C2)C1=O 284546497 LCNAJXHEWHINTI-UKRRQHHQSA-N 305.382 -0.108 30 20 DBED Cn1cc(S(=O)(=O)N[C@]2(C#N)CC2(C)C)c(=O)n(C)c1=O 291039899 ZUDCKJWBIRKKBW-LBPRGKRZSA-N 312.351 -0.945 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)CCN(C)C(=O)[C@H](C)OCC#C 294817044 KCJRIFJIYSOOAK-KBPBESRZSA-N 308.378 -0.020 30 20 DBED C[C@@H](c1cnn(C)c1)N(C)c1c(C#N)c(=O)n(C)c(=O)n1C 302019611 DNXKHNIAIHCMIE-VIFPVBQESA-N 302.338 -0.113 30 20 DBED CC(C)N/C(N)=N/CCS(=O)(=O)NC[C@@H]1CCCCO1 304761429 UKZQKEWXXLBHCP-NSHDSACASA-N 306.432 -0.212 30 20 DBED CN(CC(O)=N/C(O)=N/[C@H]1CCS(=O)(=O)C1)C1CC(O)C1 329497430 GIERGCRRUXMJPP-IDKOKCKLSA-N 319.383 -0.501 30 20 DBED CN1CCCC(C)(C)[C@H]1CN/C(O)=N/CCS(N)(=O)=O 330370707 GEXOLPLWQCFGKB-SNVBAGLBSA-N 306.432 -0.101 30 20 DBED C[C@H](N/C(O)=N/CC(=O)N1CCCCC1)C(=O)NCCF 330406525 IGZMKAGICFNNPR-JTQLQIEISA-N 302.350 -0.023 30 20 DBED CC[C@]1(CO)CCCN(/C(O)=N/CCNS(C)(=O)=O)C1 331186966 NYWADHJSNSHCPQ-LBPRGKRZSA-N 307.416 -0.066 30 20 DBED Cn1ncc2c(=O)n(CC(=O)N[C@@H]3CCC[C@H]3C#N)cnc21 332201491 VXPGFNKATPPFHG-GXSJLCMTSA-N 300.322 -0.062 30 20 DBED CC[C@@H]1CO[C@@H](C)CN1S(=O)(=O)N1CCO[C@H](C#N)C1 336917299 NKWKATSBHBFNPT-QJPTWQEYSA-N 303.384 -0.045 30 20 DBED C[C@H](CN1CCCCC1)NS(=O)(=O)N1CCO[C@@H](C#N)C1 337175971 IZIIRUVZSCWRLG-OLZOCXBDSA-N 316.427 -0.080 30 20 DBED C=CCCOCCNC(=O)CN1CCN(S(C)(=O)=O)CC1 339891982 RWIURFLTMGLROK-UHFFFAOYSA-N 319.427 -0.728 30 20 DBED CCOCCS(=O)(=O)NCC(=O)N[C@@H](C#N)C(C)(C)C 343730138 RLTZFHKBBAZWSA-JTQLQIEISA-N 305.400 -0.003 30 20 DBED CC(C)N1C(=O)C[C@H](NC(=O)CNc2ccc(C#N)cn2)C1=O 345311190 ZDCJZKHAWPKYHB-NSHDSACASA-N 315.333 0.017 30 20 DBED COCCN(CC(=O)NC1(C#N)CCC1)S(=O)(=O)N(C)C 348076305 OPEHAJZSQNMZIF-UHFFFAOYSA-N 318.399 -0.696 30 20 DBED CS(=O)(=O)Nc1cncc(C(=O)N2CCN(CC#N)CC2)c1 348481369 UVUOTLDBHVNMJR-UHFFFAOYSA-N 323.378 -0.266 30 20 DBED CC1CC(NS(=O)(=O)CCCS(=O)(=O)N[C@@H](C)C#N)C1 349555654 VAYRLBKPUASLEB-YVNMAJEFSA-N 323.440 -0.074 30 20 DBED COc1ccccc1C(=O)NCC(=O)N1CC(O)(CC#N)C1 356877587 QBHFVEMTTACQQF-UHFFFAOYSA-N 303.318 -0.088 30 20 DBED CN(CCC#N)S(=O)(=O)N1CC(=O)N[C@@H]2CCCC[C@@H]21 408261405 OMRBRNKJFGZCLR-MNOVXSKESA-N 300.384 -0.180 30 20 DBED CNS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(C#N)cc1 443767607 AXERJXSPPRSPQD-UHFFFAOYSA-N 310.335 -0.838 30 20 DBED C[C@H]1C[C@@]1(C#N)C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 448727452 XYLKNUAFIWMQGF-LRDDRELGSA-N 318.377 -0.171 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N1CC(S(=O)(=O)CC)C1 451916779 LJMNSHWFCSTFEK-SNVBAGLBSA-N 323.440 -0.168 30 20 DBED C#CCN(CC)C(=O)NCCNS(=O)(=O)Cc1ccon1 490763412 RJUHXUCJBFZDID-UHFFFAOYSA-N 314.367 -0.241 30 20 DBED C#C[C@@H](NC(=O)C(=O)Nc1c(C(=O)OC)cnn1C)C(C)C 491655438 BWYIGRAVNVGRHM-SNVBAGLBSA-N 306.322 -0.081 30 20 DBED CN1CCC[C@@H](CNS(=O)(=O)N2CCO[C@@H](C#N)C2)C1 548832769 PXIBOPOETQJCGX-RYUDHWBXSA-N 302.400 -0.613 30 20 DBED CC(C)[C@@](C)(C#N)NC(=O)CN1C(=O)N[C@]2(CCCNC2)C1=O 564925687 BEULXHRWCXWDJO-CABCVRRESA-N 321.381 -0.285 30 20 DBED COC(=O)[C@H]1CNC(=O)CN1Cc1cnc2c(C#N)cnn2c1 573802633 QZYLIQWTXYKWHY-LLVKDONJSA-N 314.305 -0.926 30 20 DBED C=CCNC(=O)c1ccc(N2CCN3C(=O)[C@H](N)C[C@@H]3C2)nc1 578766867 JKTJPFKQBVJTSD-CHWSQXEVSA-N 315.377 -0.254 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)NCc1nnn(C(C)(C)C)n1 594475985 AGQHMSKCXROJOG-VIFPVBQESA-N 315.403 -0.004 30 20 DBED COC(=O)C[C@@H](O)CNS(=O)(=O)c1ccc(F)c(C#N)c1 599461311 CEYPEZQTIKFKDV-SECBINFHSA-N 316.310 -0.100 30 20 DBED Cn1c(N2CCO[C@H](C(F)F)CC2)c(C#N)c(=O)n(C)c1=O 601231356 JODZUHFQJPTJRO-VIFPVBQESA-N 314.292 -0.184 30 20 DBED C[C@H]1[C@@H](CO)CCCN1C(=O)C(=O)N1CCN(CCC#N)CC1 601497966 KFHBTWLPJLJHOB-UONOGXRCSA-N 322.409 -0.336 30 20 DBED CC#CC[C@H](CO)NC(=O)[C@@](C)(O)Cn1ccc(C)cc1=O 649182081 OVGQNEFZJZNUJJ-CJNGLKHVSA-N 306.362 -0.202 30 20 DBED N#Cc1cnn(CCOC(=O)CCCN2C(=O)CCC2=O)c1N 731772037 JECGRYYANZJVBE-UHFFFAOYSA-N 319.321 -0.191 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N1CCC2(CC1)CNC(=O)O2 781997328 HUJKBOILPQJYMP-SNVBAGLBSA-N 310.354 -0.039 30 20 DBED CC(C)(C#N)CS(=O)(=O)NCCN1CCCS1(=O)=O 790014813 YXHKUPJRFQKGBV-UHFFFAOYSA-N 309.413 -0.509 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CC(=O)N(C)C[C@@H]1C 800123195 RYSTYFZPNAONDL-QWRGUYRKSA-N 302.400 -0.125 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCN(C(C)=O)C[C@@H]1C)[C@@H]1CCCO1 809308326 HNNRYMQKTBQGRM-UBHSHLNASA-N 321.377 -0.637 30 20 DBED C=CCn1cc(C(=O)OCCCNS(=O)(=O)CC)nn1 830126060 WOYWMRGFGHQJAN-UHFFFAOYSA-N 302.356 -0.050 30 20 DBED C=CCN(C(=O)C(=O)N1CCN(S(C)(=O)=O)CC1)C(C)C 839248079 NAKHVWHKFGRNEA-UHFFFAOYSA-N 317.411 -0.487 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)NC2(C(=O)O)CCCCC2)CCO1 841776811 PZRPHVJZUWGETK-SNVBAGLBSA-N 317.367 -0.167 30 20 DBED C#CCN(CC(=O)O)S(=O)(=O)c1scnc1C(=O)OC 849219379 SALLJDRVHWHPNI-UHFFFAOYSA-N 318.332 -0.362 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)NC1CCN(OC)CC1 875421495 ARSLUDASGAWPLX-GFCCVEGCSA-N 311.382 -0.327 30 20 DBED C#CCN1CCN(S(=O)(=O)c2n[nH]cc2C(=O)OC)CC1 882024480 UQHSWYKNDSIPNH-UHFFFAOYSA-N 312.351 -0.864 30 20 DBED C#C[C@@H](NC(=O)C(=O)N1C[C@@H]2CCNC[C@@H]2C1)[C@H]1CCCO1 911148622 YGVJNKRGWXVDQA-REWJHTLYSA-N 305.378 -0.649 30 20 DBED O=C(NCC#CCO)N[C@H]1CCCN(CCN2CCOCC2)C1 923759431 AMTYPRPNWCEHGD-HNNXBMFYSA-N 324.425 -0.922 30 20 DBED C#CC[C@@H]1NC(=O)N(C2CCN(S(=O)(=O)CC)CC2)C1=O 927328496 MUIBAPMLCHGZIB-NSHDSACASA-N 313.379 -0.256 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCc2cn(C)cn2)C1=O 933872190 LWUFJQAVDYBLTN-GFCCVEGCSA-N 319.365 -0.718 30 20 DBED CN1C[C@H](C(=O)N[C@@H]2CCN(C(=O)C#CC3CC3)C2)NC1=O 942013047 VZHCYGWCIIGIGT-VXGBXAGGSA-N 304.350 -0.860 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@@H](NC(=O)CN2C(=O)CNC2=O)C1 942464297 TZOAOVGAIRBKCF-SNVBAGLBSA-N 322.365 -0.533 30 20 DBED C[C@H](C#N)C(=O)N1CCC2(CC1)CN(C(=O)[C@H]1CCNC1=O)C2 945035684 RHWHVMMOOFXGPK-NEPJUHHUSA-N 318.377 -0.267 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2CCC[C@H]2NC(=O)C(N)=O)nc1 946291465 KBGPGHZANGVXNH-VXGBXAGGSA-N 314.345 -0.437 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]1CNC(=O)c1cc2n(n1)CCO2 950596124 RGKQLXKKEDLVMB-UWVGGRQHSA-N 303.322 -0.234 30 20 DBED COc1c(C(=O)NC[C@@H]2CN(CC#N)C[C@@H]2O)c(C)nn1C 958447401 DDQUVHZZGMZNLQ-MNOVXSKESA-N 307.354 -0.717 30 20 DBED C=CCN1C[C@@H](O)[C@H](CNC(=O)c2nc3nccc(C)n3n2)C1 958644391 JIGZRQSMFCQIKQ-VXGBXAGGSA-N 316.365 -0.359 30 20 DBED CS[C@@H](C)C(=O)N1C[C@H](O)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 962328113 BVJRCMQGEOYPIL-AXTRIDKLSA-N 322.390 -0.061 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2[C@@H]3CN(CC(=O)N(C)C)C[C@@H]32)nc1 962340957 JGGWXHWKJOIGSW-VIKVFOODSA-N 312.373 -0.189 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C2CN(C(=O)c3ncc[nH]3)C2)CC1 967245505 SVVKZOVPSWEZCQ-LLVKDONJSA-N 316.365 -0.462 30 20 DBED C[C@H](C#N)C(=O)N1CCOC2(CCN(C(=O)CC(N)=O)CC2)C1 967702202 ODLFMUNZAHRDNS-LLVKDONJSA-N 322.365 -0.759 30 20 DBED CCN(C(=O)[C@@H]1CCNC(=O)C1)C1CN(C(=O)[C@H](C)C#N)C1 967871455 RXXMAYNGRNHBNC-GHMZBOCLSA-N 306.366 -0.268 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@H](NC(=O)c2cn(CC)nn2)C1 970237965 GCNLQDMVKIWUBQ-PWSUYJOCSA-N 321.381 -0.188 30 20 DBED C=C(C)CN1CCO[C@@]2(CCN(C(=O)[C@@H]3COC(=O)N3)C2)C1 972358858 UJOIMVWWZHSACH-WFASDCNBSA-N 309.366 -0.026 30 20 DBED Cc1nn[nH]c1C(=O)N1CC[C@@H]2CN(C(=O)[C@H](C)C#N)[C@@H]2C1 974983719 XQIKLXZJPKTIRO-FBIMIBRVSA-N 302.338 -0.054 30 20 DBED CN1CCO[C@H](C(=O)N[C@H]2[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]32)C1 976302584 AHJQIKOTAOURQP-KNCOVGOOSA-N 317.389 -0.697 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](CNC(=O)c2ccc(C(N)=O)[nH]2)C1 983210852 FXTQNULSSRGOCB-NXEZZACHSA-N 317.349 -0.148 30 20 DBED C=CCN1CC[C@@H](NC[C@H]2C[C@H](NC(=O)c3cnn[nH]3)C2)C1=O 984187247 WNCWXMKAKMTUBL-IJLUTSLNSA-N 318.381 -0.310 30 20 DBED C=CCn1cc(C(=O)N2CC(NC(=O)[C@@H]3CCCN3C)C2)nn1 990523907 LWPOLFZQTKILJT-ZDUSSCGKSA-N 318.381 -0.501 30 20 DBED N#CCN[C@@H]1CCC[C@@H]2CN(C(=O)CN3CCOCC3=O)C[C@H]21 992703081 AHOVNVQZEDJCMG-MGPQQGTHSA-N 320.393 -0.415 30 20 DBED C#CCN1CCC(C(=O)NC2CN(C(=O)[C@@H](C)C#N)C2)CC1 993856346 XVOPMLJDYDTVQL-LBPRGKRZSA-N 302.378 -0.182 30 20 DBED C[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1CNC(=O)c1cc(=O)n(C)o1 993942876 OAMQVKYIIQXAOP-GMTAPVOTSA-N 320.349 -0.038 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@H](O)C(C)C)C1 1002825826 IEDOOQSAJZAFMV-LSDHHAIUSA-N 321.421 -0.325 30 20 DBED N#Cc1c[nH]c(C(=O)NCC2[C@@H]3CN(C(=O)CC(N)=O)C[C@@H]23)c1 1008925323 WYTXESBLTZXBSL-QWRGUYRKSA-N 315.333 -0.804 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCN(Cc3cnon3)C2)nn1 1015811097 ZGOFVVATDHZCHE-JTQLQIEISA-N 303.326 -0.149 30 20 DBED N#CCN1CCC2(CC1)C[C@@H]2NC(=O)[C@@H]1CC(=O)NC(=O)N1 1016859121 LHQBJZCWMADKNB-UWVGGRQHSA-N 305.338 -0.921 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@H]3CN(C(=O)C(N)=O)C[C@H]32)cc1 1022335242 JEJQNLSJNBGUGM-UONOGXRCSA-N 311.341 -0.174 30 20 DBED C=CCN1CC[C@@H](N(C)[C@H]2CCCN(C(=O)C(N)=O)C2)C1=O 1027551865 DHPMSHHGRLNVQC-NWDGAFQWSA-N 308.382 -0.819 30 20 DBED C=C(Cl)CN1CC(NC(=O)CN2CCCCS2(=O)=O)C1 1030685002 BYNUVXDVGGWWFF-UHFFFAOYSA-N 321.830 -0.035 30 20 DBED C=CCCn1cc(C(=O)NC2CN([C@H](C)C(=O)N(C)C)C2)nn1 1031079769 KWRAGGAOFXLDIY-LLVKDONJSA-N 320.397 -0.255 30 20 DBED C=C(C)CCN1CC[C@H](N(C)C(=O)c2cn(CC(N)=O)nn2)C1 1033684102 CWAUEDCWXCACJM-LBPRGKRZSA-N 320.397 -0.124 30 20 DBED C#CCCN1CC[C@@H]1CNC(=O)[C@@H]1CC(=O)N(CCOC)C1 1038318662 RUXGJMKWNVPQSG-ZIAGYGMSSA-N 307.394 -0.305 30 20 DBED C=CCN1CC[C@@H](N2CC[C@@H]2CNC(=O)c2nc[nH]n2)C1=O 1038824952 DWMDPIRVKBCDAP-GHMZBOCLSA-N 304.354 -0.604 30 20 DBED N#CCN1CC[C@@H](C2CCN(C(=O)Cn3ncnn3)CC2)C1 1039130136 JCSGLDBOIVBTFK-CYBMUJFWSA-N 303.370 -0.243 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(O)(CNC(=O)CSC)C1 1041359768 QXDBZBTXDTYRFU-GFCCVEGCSA-N 302.396 -0.634 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)Cn2nccc2C)C1 1042052885 VJDVAKSVHSAQFP-UHFFFAOYSA-N 322.365 -0.916 30 20 DBED C=C[C@H](CC)CC(=O)N1CC(O)(CNC(=O)[C@H]2CCC(=O)N2)C1 1042073830 DYZCYQMLXCSBPL-VXGBXAGGSA-N 323.393 -0.443 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(O)(CNC(=O)c2cnc(C)[nH]2)C1 1042078817 NFEIRNUPTKYYFW-AWEZNQCLSA-N 322.365 -0.652 30 20 DBED N#CCN1CC[C@@H]2CCN(C(=O)c3nccnc3C(N)=O)C[C@H]21 1042349703 SERUPMHNVRZNBZ-GHMZBOCLSA-N 314.349 -0.365 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)[C@@H](C)n2cccc2)C1 1042583699 AHWSYRNWMFNJKC-CYBMUJFWSA-N 321.377 -0.059 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)C[C@@](C)(O)C2CC2)C1 1042627733 PAVMBUFWZUKYOA-IINYFYTJSA-N 309.366 -0.613 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2coc(C)n2)C1 1042747987 PTEPUTLXWAUJBM-JTQLQIEISA-N 321.333 -0.676 30 20 DBED Cn1cc(C(=O)NCC2(O)CN(C(=O)C#CC(C)(C)C)C2)nn1 1042887631 SCTHTYGHWCLVHE-UHFFFAOYSA-N 319.365 -0.832 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1042976753 SCPYAVULHUWXRX-GHMZBOCLSA-N 309.322 -1.000 30 20 DBED CCCn1nccc1C(=O)NCC1(O)CN(C(=O)[C@H](C)C#N)C1 1043306239 KCTBOGYIQKHEHU-LLVKDONJSA-N 319.365 -0.244 30 20 DBED C#Cc1ccc(C(=O)NCC2(O)CN(C(=O)[C@@H](C)C#N)C2)nc1 1044254932 MDWVKRDQIOLBIA-NSHDSACASA-N 312.329 -0.474 30 20 DBED Cn1nnnc1CNC[C@@H]1CCCN1C(=O)c1ccc(C#N)[nH]1 1045000502 KHIWXQROEQRNRS-NSHDSACASA-N 314.353 -0.196 30 20 DBED C[C@H]1OCC[C@H]1C(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1045294038 VDYKTMSYIZCIHM-DGCLKSJQSA-N 306.362 -0.486 30 20 DBED Cn1c(O)ncc(C(=O)N2CC[C@H]3CC[C@@H](C2)N3CC#N)c1=O 1045824681 UTAFAMGTYSEVNL-MNOVXSKESA-N 317.349 -0.312 30 20 DBED Cc1cnn(CC(=O)N2CCN([C@H]3CCN(CC#N)C3)CC2)c1 1046008808 AAMITUPXZQUMIP-HNNXBMFYSA-N 316.409 -0.066 30 20 DBED C=C[C@H](CC)CC(=O)N1CC(O)(CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 1046737914 ZUFVBGXRCOCDPH-UTUOFQBUSA-N 323.393 -0.600 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@@H](N(C)C(=O)c2nccnc2N)C1 1047327915 RQMKHKJKELSMBQ-UWVGGRQHSA-N 311.773 -0.072 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(CCOC)c2)C1 1047615256 RKEQLOJUSVIUEK-GJZGRUSLSA-N 320.393 -0.330 30 20 DBED CCOCC(=O)N(C)[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1O 1048123703 QPVAKSSOOQMFQP-STQMWFEESA-N 320.349 -0.433 30 20 DBED Cc1ncc(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)C#CC3CC3)C2)[nH]1 1048821317 JYVLURIHAZUVCX-KBPBESRZSA-N 316.361 -0.225 30 20 DBED CO[C@@H](C)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C#CC2CC2)C1 1048821346 KUAIJASUWJBLRM-UBHSHLNASA-N 308.378 -0.145 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)[C@H]1CN(C(=O)C2(C)CC2)C[C@@H]1O 1048852614 QKIIYUVYDHTOQZ-AVGNSLFASA-N 308.378 -0.145 30 20 DBED C=C(C)CN1CC2(CC[C@@H](CNC(=O)c3nnn(C)n3)O2)C1 1053647469 VXADOVHFCYAXFR-NSHDSACASA-N 306.370 -0.251 30 20 DBED C#CCCCC(=O)N1C[C@H]2CN(C(=O)CNC(=O)NC)C[C@H]2C1 1055310749 QOAMRIDKPZOOBG-BETUJISGSA-N 320.393 -0.364 30 20 DBED CCn1ncc(C(=O)NC2[C@@H]3CN(c4nccnc4C#N)C[C@@H]23)n1 1056203661 UGUDDFDFXXNWFN-NXEZZACHSA-N 324.348 -0.176 30 20 DBED Cc1cc(C#N)nc(N2C[C@H]3[C@H](NC(=O)Cn4nccn4)[C@H]3C2)n1 1056315443 BZBXFRLASONRMD-IMRBUKKESA-N 324.348 -0.501 30 20 DBED Cn1nnc(C(=O)NC2[C@@H]3CN(c4ccc(C#N)cn4)C[C@@H]23)n1 1056372026 GJAXGHCTKOEUOL-NXEZZACHSA-N 310.321 -0.659 30 20 DBED C=CCO[C@H](C)C(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)C(N)=O 1056538571 WMYSYJLOZFMBIQ-GRYCIOLGSA-N 309.366 -0.345 30 20 DBED COCCCC(=O)N(CCO)CCNC(=O)c1c[nH]c(C#N)c1 1057079324 KQDASVZMULXFAS-UHFFFAOYSA-N 322.365 -0.136 30 20 DBED Cn1nncc1C(=O)NCCN(CCO)C(=O)C#CC(C)(C)C 1057538545 CGFZXKVLKZEQQF-UHFFFAOYSA-N 321.381 -0.585 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)CN(C)C1CCC1 1057903539 NYRNEKWYXVXBJY-GFCCVEGCSA-N 310.398 -0.433 30 20 DBED N#Cc1cnc(N2CCC[C@@H](NC(=O)Cn3cnnn3)C2)cn1 1058118935 UJPWVEJWBWDTJB-SNVBAGLBSA-N 313.325 -0.880 30 20 DBED C[C@@H]1OCCO[C@@H]1C(=O)N[C@@H]1CCN(c2nccnc2C#N)C1 1058591032 UDCNPOYTQRVLMN-LOWVWBTDSA-N 317.349 -0.153 30 20 DBED CN1C[C@@H](C(=O)N[C@H]2C[C@@H](Nc3cncc(C#N)n3)C2)CC1=O 1059862439 MEIGEDHNBBESGF-GARJFASQSA-N 314.349 -0.114 30 20 DBED C[C@@H](C#N)C(=O)NCC[C@H]1CCN(C(=O)Cc2nc[nH]n2)C1 1060428274 FOJAZIPAQUSYPL-QWRGUYRKSA-N 304.354 -0.138 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)CCn1ccnn1 1061532758 YNGSDXSUXNCSHM-RYUDHWBXSA-N 320.353 -0.829 30 20 DBED Cc1nn[nH]c1C(=O)N1CCOC[C@H]1CNC(=O)C#CC(C)C 1061568963 VFEMHRJZMMVYDI-GFCCVEGCSA-N 319.365 -0.270 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@H]1COCCN1C(C)=O 1061582241 HZKLWYIGTLXNTG-UONOGXRCSA-N 311.382 -0.179 30 20 DBED CC(=O)NC(C)(C)C(=O)NC[C@H]1COCCN1C(=O)[C@@H](C)C#N 1061709556 VFFVQIHYINBOGB-JQWIXIFHSA-N 324.381 -0.596 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CCCCN1C(=O)Cn1cnnn1 1061998093 SAAQJPRAONEFAV-WDEREUQCSA-N 305.342 -0.670 30 20 DBED CNC(=O)NCCC(=O)N1CCCC[C@@H]1CNC(=O)[C@H](C)C#N 1062186563 FBYXYZOYNZGQGA-VXGBXAGGSA-N 323.397 -0.038 30 20 DBED Cn1cnc(C(=O)NCC2(NC(=O)C#CC3CC3)CCC2)n1 1062926888 BOLALDKDNSYMIG-UHFFFAOYSA-N 301.350 -0.003 30 20 DBED N#Cc1nccnc1N1C[C@H]2C[C@H]1[C@H]2NC(=O)C1=COCCO1 1064212367 LAUUSBZNVJTVIL-CDMKHQONSA-N 313.317 -0.070 30 20 DBED N#Cc1cncc(N2C[C@@H](O)[C@@H](CNC(=O)c3ccon3)C2)n1 1067654131 SVGYZRSPNUDQTG-JOYOIKCWSA-N 314.305 -0.437 30 20 DBED C=CCN[C@@H]1CN(C(=O)[C@@H]2CCNC(=O)C2)C[C@@H]1n1ccnn1 1070175434 HJBJJVRHVDHAPE-UPJWGTAASA-N 318.381 -0.668 30 20 DBED CC#CCN1CCNC(=O)CCN(C(=O)c2cnsn2)CC1 1070943372 MRHGICPJFJWDRP-UHFFFAOYSA-N 321.406 -0.175 30 20 DBED C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1NC(=O)CNC(N)=O 1071874326 ILBVQADHYSCZPS-LDYMZIIASA-N 318.337 -0.869 30 20 DBED N#CCN1CCC2(C1)CN(C(=O)[C@]13C[C@H]4C[C@H](C(=O)N1)[C@H]3C4)C2 1072879052 KNMJKHZEIFERTA-APNQJHFZSA-N 314.389 -0.041 30 20 DBED COc1c[nH]c(C(=O)NC[C@H]2CN(CC#N)CCCO2)cc1=O 1073697892 SHPCXHWJQQLVDN-NSHDSACASA-N 320.349 -0.272 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)c2cccnc2C(N)=O)C1 1073896151 LZIXGRIVRPBKFQ-LBPRGKRZSA-N 316.361 -0.366 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CCN(C(=O)c2cocn2)CC1 1074517001 TZLZBMDZMUZORP-SNVBAGLBSA-N 306.322 -0.082 30 20 DBED C#CCOCCC(=O)NCC[C@H](C)NC(=O)[C@@H](COC)OC 1076505412 UULOQAKEBJKECT-QWHCGFSZSA-N 314.382 -0.301 30 20 DBED C#CCOCCC(=O)NCC[C@H](C)NC(=O)[C@H]1CN(C)C(=O)N1 1076507625 ONVVZVMNBXFVDU-NWDGAFQWSA-N 324.381 -0.939 30 20 DBED CNC(=O)NC(C)(C)C(=O)NCC[C@H](C)NC(=O)[C@H](C)C#N 1076912797 WUAVPHNDSVLACA-ZJUUUORDSA-N 311.386 -0.135 30 20 DBED CN1CC[C@H](NC[C@@H]2CN(C(=O)C#CC3CC3)CCCO2)C1=O 1078398800 UFCNGCIWRBBHDF-CABCVRRESA-N 319.405 -0.162 30 20 DBED C=CCO[C@@H](C)C(=O)N(C)[C@H]1CCCN(C(=O)C(N)=O)CC1 1078990988 OBIXJKICHVNEAJ-RYUDHWBXSA-N 311.382 -0.098 30 20 DBED C#CCCCCC(=O)N(CC)C1CN(C(=O)CNC(N)=O)C1 1079637671 HIGRSULAWXABKE-UHFFFAOYSA-N 308.382 -0.092 30 20 DBED C#CCOCCC(=O)N1CC(N(CC)C(=O)CC(=O)NCC)C1 1079647947 XGROEFBWDAHBKI-UHFFFAOYSA-N 323.393 -0.388 30 20 DBED C[C@H](C#N)C(=O)NC1(CO)CCN(C(=O)c2cccnn2)CC1 1080981557 GVVXNFAIZCNWFT-LLVKDONJSA-N 317.349 -0.280 30 20 DBED C[C@@H](C#N)C(=O)NC1(CO)CCN(C(=O)Cn2cccn2)CC1 1080981924 OYPXGHLPFVYWFM-LBPRGKRZSA-N 319.365 -0.488 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2ccnn2C)C[C@H]1O 1081345943 BPWBSVSOUWTGST-DGCLKSJQSA-N 322.365 -0.828 30 20 DBED C=CCCC(=O)N1C[C@H](CNC(=O)C2(C(=O)NC)CC2)[C@@H](O)C1 1081594120 AUKAUZDKCVVTOT-RYUDHWBXSA-N 323.393 -0.586 30 20 DBED C#CCO[C@H](C)C(=O)N1CCCC[C@H]1CNC(=O)c1nc[nH]n1 1082076075 NYBSUBOFVYEZQE-NEPJUHHUSA-N 319.365 -0.046 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)[C@H]1C 1089060528 RIRFWYCRSFCMMB-NEPJUHHUSA-N 318.381 -0.808 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)Cn1cnnn1)Nc1nccnc1C#N 1089213725 CBEVUULOKHASMR-ZJUUUORDSA-N 315.341 -0.270 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2cn(C)nc2COC)[C@H](O)C1 1090371555 LKMXQBGBXWHIEW-TZMCWYRMSA-N 306.366 -0.635 30 20 DBED CCNC(=O)CC(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1O 1090407006 NIJNSIVRQDZIAJ-CHWSQXEVSA-N 317.349 -0.855 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2cncc(OC)n2)[C@@H](O)C1 1090623798 KBBUSMCEDAJLNS-AAEUAGOBSA-N 304.350 -0.327 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@@H]1O 1091153218 WKZHIFCCVHVGFE-UHTWSYAYSA-N 315.333 -0.948 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@H]2CN(c3nccnc3C#N)C[C@H]12 1093265602 IWOASGMSSBTBOE-QWRGUYRKSA-N 324.344 -0.961 30 20 DBED CCN1CCO[C@@H](C(=O)NCCNc2cnc(C#N)cn2)C1 1093654701 KXZZCAXOOQBJSN-GFCCVEGCSA-N 304.354 -0.403 30 20 DBED N#Cc1nc(=NCCNC(=O)[C@H]2CCc3c[nH]nc3C2)cc[nH]1 1093669762 GVCAGZQMWOLNNL-JTQLQIEISA-N 311.349 -0.174 30 20 DBED C=CCN1CC(n2cc(CNC(=O)c3cnn(C)c3N)nn2)C1 1094286458 AKPRVVGXBTUODT-UHFFFAOYSA-N 316.369 -0.434 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)[C@@]3(C)CCOC3)CC2=O)C1 1094801148 IVLVGBUGMZUORA-LRDDRELGSA-N 305.378 -0.553 30 20 DBED C[C@@H](CC(N)=O)C(=O)N1CC[C@@H](N(C)c2ccc(C#N)nn2)C1 1095151039 RQMUGHSCKNRFMP-CMPLNLGQSA-N 316.365 -0.103 30 20 DBED CNC(=O)C1(C(=O)NCCCN(C)c2cncc(C#N)n2)CC1 1095589925 XTPURJQQTAAZJM-UHFFFAOYSA-N 316.365 -0.183 30 20 DBED C#CCCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H]1CC(=O)NC(=O)N1 1096080281 BLNKPOFEKYKQBT-RHYQMDGZSA-N 304.350 -0.671 30 20 DBED CCCC(=O)NCC(=O)N[C@@H]1CCN(c2nccnc2C#N)C1 1096326312 AKJGMMZUJGBRBV-LLVKDONJSA-N 316.365 -0.041 30 20 DBED N#Cc1nc(=N[C@H](CNC(=O)Cn2cncn2)C2CC2)cc[nH]1 1096676158 OQXXHQZRXCRUNG-LLVKDONJSA-N 312.337 -0.631 30 20 DBED CN(C)C(=O)CC(=O)N[C@H]1C[C@@H](Nc2cnc(C#N)cn2)C1 1097257567 RXYCNSNBXBCQNF-AOOOYVTPSA-N 302.338 -0.114 30 20 DBED CC(C)C[C@@H](C(N)=O)C(=O)N1CCC(N(CC#N)CCO)CC1 1098587018 SBQSKVGESRUYJP-AWEZNQCLSA-N 324.425 -0.057 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CCN(CC2CCCC2)C[C@@H]1O 1099789514 NSCGHUWBSYAOFE-GJZGRUSLSA-N 321.421 -0.133 30 20 DBED C#CCN1CC[C@@H](NC(=O)COCc2ccnn2C)[C@H](O)C1 1099890235 OXADYCFWRKFZNM-ZIAGYGMSSA-N 306.366 -0.879 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CCN2C(=O)CCC2=O)[C@@H](O)C1 1099908653 HLIBDRSULSDPRE-OLZOCXBDSA-N 321.377 -0.900 30 20 DBED Cc1cc(N(C)CCNC(=O)[C@H](C)NC(N)=O)c(C#N)cn1 1100024881 BSUBITAGGQTHFF-JTQLQIEISA-N 304.354 -0.129 30 20 DBED C=CCCCN1CC[C@@H](NC(=O)c2cn(C)c(=O)n2C)[C@H](O)C1 1100129131 IIEQBMCCFYVNOU-TZMCWYRMSA-N 322.409 -0.145 30 20 DBED CCN(CCNC(=O)[C@H]1CCN(C)C1=O)c1ccc(C#N)nn1 1100681805 MITKRGWBGNWJJS-GFCCVEGCSA-N 316.365 -0.231 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)[C@@H](CC)NC(C)=O)C1 1100693857 ATPICXPMJLPQAJ-JXQTWKCFSA-N 322.409 -0.865 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)C[C@H]2CCOC2)C1 1101845991 BXKLSQREKJDHMM-RBSFLKMASA-N 321.421 -0.154 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](C)[C@H](CNC(=O)CC(C)(C)O)C1 1101925913 HAVWNFXSLAJQSM-MGPQQGTHSA-N 323.437 -0.031 30 20 DBED C=CCOCCN1C[C@@H](C)[C@H](CNC(=O)[C@@H]2COC(=O)N2)C1 1101931011 GACQGCFPXGRQEJ-UPJWGTAASA-N 311.382 -0.019 30 20 DBED CN(CCNc1ccc(C#N)nn1)C(=O)CCc1cnn(C)n1 1101969051 XRAOPEQMCCQACP-UHFFFAOYSA-N 314.353 -0.020 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)C[C@H]1CCCC(=O)N1 1102039059 MWGJOWHULVPROV-LLVKDONJSA-N 316.365 -0.301 30 20 DBED C=CCN1C[C@@H](C)[C@H](CNC(=O)CN2C(=O)C(=O)N(C)C2=O)C1 1102424738 XSPOJBARLVZMDF-GHMZBOCLSA-N 322.365 -0.723 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1CNC(=O)CCNC(=O)[C@H]1CCCO1 1102616422 ZOIXLXKSXLDPOT-MGPQQGTHSA-N 322.409 -0.121 30 20 DBED CCN(C(=O)CC(=O)NC)[C@@H]1CCN(c2nccnc2C#N)C1 1102795544 HHLFNHIAXFNULL-LLVKDONJSA-N 316.365 -0.088 30 20 DBED CC[C@@H](CNC(=O)[C@@H]1CCC(=O)N1)Nc1ccc(C#N)nn1 1103144137 PVSNSVGCYBIFBT-ONGXEEELSA-N 302.338 -0.066 30 20 DBED C[C@H](CN=c1cc[nH]cc1C#N)N(C)C(=O)C1CS(=O)(=O)C1 1104698558 ZWNBHKFOSOGUTQ-SNVBAGLBSA-N 322.390 -0.321 30 20 DBED CCOCCNCc1cn(C2CN(C(=O)[C@H](C)C#N)C2)nn1 1105189674 JOJYIYQCEYHCGN-LLVKDONJSA-N 306.370 -0.053 30 20 DBED CN(CCN(C)c1cnc(C#N)cn1)C(=O)[C@H]1CCNC(=O)C1 1105358743 XMEHSVRVZAEVFR-NSHDSACASA-N 316.365 -0.231 30 20 DBED CN(CCN(C)c1cnc(C#N)cn1)C(=O)c1cnc(O)n1C 1105534615 AKFJSIOHSPHRPD-UHFFFAOYSA-N 315.337 -0.004 30 20 DBED N#Cc1cnc(NC[C@@H](O)CNC(=O)Cn2cccn2)cn1 1105722334 MIHQYYNRNKMGHM-LLVKDONJSA-N 301.310 -0.866 30 20 DBED Cc1ncoc1C(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1 1105807757 GAQDJWQITNMNAT-SECBINFHSA-N 302.294 -0.731 30 20 DBED CC(C)(C)C#CC(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1 1105825514 IELZECWJMRQMQH-LLVKDONJSA-N 301.350 -0.291 30 20 DBED Cc1ccc(C(=O)NC[C@@H](O)CNc2nccnc2C#N)nn1 1105826594 IEHXLOBRNLZHRF-JTQLQIEISA-N 313.321 -0.351 30 20 DBED CC(=O)NC(C)(C)C(=O)NC[C@H](O)CN=c1cc[nH]cc1C#N 1105899015 XHOMERTWXZIULE-GFCCVEGCSA-N 319.365 -0.821 30 20 DBED C[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1CNCCN1C(=O)CNC1=O 1105951582 HRXZFUWNVHECHL-IJLUTSLNSA-N 321.381 -0.618 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)c2cnnc(O)c2)nn1 1105993488 NVRKUJCLTVTUHM-SNVBAGLBSA-N 315.293 -0.953 30 20 DBED CC(=O)N[C@@H](C)C(=O)N[C@H](C)CCN=c1cc[nH]c(C#N)n1 1106209454 YFERPKOBBOELCK-ZJUUUORDSA-N 304.354 -0.399 30 20 DBED C[C@@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)CCn1ccnn1 1106308192 MZLVRDLVQCCURE-NSHDSACASA-N 314.353 -0.241 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)C[C@@H]2CC(=O)NC2=O)C[C@H]1C 1107102871 ZJBKQEPQBSUDLK-FRRDWIJNSA-N 305.378 -0.253 30 20 DBED C#CCNC(=O)CC(=O)NC/C=C\CNc1nccnc1F 1107130338 KYSIRQCTJYGTSH-ARJAWSKDSA-N 305.313 -0.161 30 20 DBED N#CCN1CC(n2cc(CNC(=O)CO[C@@H]3CCOC3)nn2)C1 1107172760 KSFIFQUTITVUHR-CYBMUJFWSA-N 320.353 -0.920 30 20 DBED CCOCCOCC(=O)NC/C=C/CN=c1cc[nH]c(C#N)n1 1107223713 HGDSPTHEXWELTH-ONEGZZNKSA-N 319.365 -0.092 30 20 DBED C#CCN1CC(n2cc(CNC(=O)CCCC(N)=O)nn2)C1 1107241852 HBMIMRFNNXMRLT-UHFFFAOYSA-N 304.354 -0.960 30 20 DBED N#Cc1ccc(NC/C=C\CNC(=O)[C@H]2CCC(=O)NC2)nn1 1107592272 BADGXGDFRGKFNZ-BVBSBALXSA-N 314.349 -0.041 30 20 DBED C=CCOCCN1CCO[C@@](C)(CNC(=O)Cn2ncnn2)C1 1107947298 HTKFJXALPTXOJK-AWEZNQCLSA-N 324.385 -0.917 30 20 DBED CC(C)OCCN1CC(N2C[C@@H](NC(=O)[C@H](C)C#N)CC2=O)C1 1108527833 PJIFJTSAZBCLKJ-OLZOCXBDSA-N 322.409 -0.028 30 20 DBED C#CCOCCC(=O)N[C@H]1CC(=O)N(C2CN(CCOC)C2)C1 1108545734 DKHFGKIXZKZMNO-ZDUSSCGKSA-N 323.393 -0.926 30 20 DBED C[C@@H](CN(C)c1cncc(C#N)n1)NC(=O)CN1CCOCC1 1108904367 XKTIFGAILJUYFR-LBPRGKRZSA-N 318.381 -0.379 30 20 DBED C[C@@H](CN(C)c1ccc(C#N)cn1)NC(=O)CCn1cnnn1 1109054057 QQDDQOPAHPIDIG-NSHDSACASA-N 314.353 -0.029 30 20 DBED N#Cc1nccnc1NC[C@@H](NC(=O)Cn1nccn1)C1CC1 1109912408 CJEBONTYIJAWPF-GFCCVEGCSA-N 312.337 -0.053 30 20 DBED N#Cc1cnc(N2CC[C@](O)(CNC(=O)[C@@H]3CCOC3)C2)cn1 1111043534 HESANHQVYSKQOL-ABAIWWIYSA-N 317.349 -0.558 30 20 DBED C[C@@]1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCC#N)CCOC1 1111183127 PZKLUOBUKSGEHQ-NFFDBFGFSA-N 320.393 -0.226 30 20 DBED Cc1cc(N2CCC[C@@](CO)(NC(=O)C(N)=O)C2)c(C#N)cn1 1111363602 AICTZPJHGUSBQD-OAHLLOKOSA-N 317.349 -0.806 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1CCCC1 1111408358 UWICSKHBIQSWPS-KFWWJZLASA-N 318.421 -0.447 30 20 DBED Cc1cc(=NCCN(CCO)C(=O)[C@@H]2CCOC2)c(C#N)c[nH]1 1111446191 ZIWUZWQANQHCFJ-CYBMUJFWSA-N 318.377 -0.047 30 20 DBED CNC(=O)CC(=O)N1CC[C@@H](CCN=c2cc[nH]c(C#N)n2)C1 1111607388 QWSJTFYSUSAHTK-LLVKDONJSA-N 316.365 -0.443 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)c2cnc(C)[nH]2)CC1 1112710685 GHLCAAOVJBNUJA-LLVKDONJSA-N 303.366 -0.386 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)[C@H]2CCNC(=O)C2)CC1 1112765909 DZXNTYWBSQSFJS-STQMWFEESA-N 322.409 -0.653 30 20 DBED COCC#CCN1CCN(C(=O)C2(C(=O)N(C)C)CC2)CC1 1113523988 WTKJOCWVYDUDIO-UHFFFAOYSA-N 307.394 -0.351 30 20 DBED C[C@@H]1CCN(c2ccnc(C#N)n2)C[C@H]1NC(=O)CC(N)=O 1114007014 BXYASKKRFFLIJF-NXEZZACHSA-N 302.338 -0.445 30 20 DBED C[C@@H]1CCN(c2ccc(C#N)nn2)C[C@@H]1NC(=O)CC(N)=O 1114008346 PNCCVKDARFDZQM-KOLCDFICSA-N 302.338 -0.445 30 20 DBED Cc1cc(C#N)nc(N2CC[C@H](C)[C@H](NC(=O)CC(N)=O)C2)n1 1114009412 ZUADCTIYGGATTH-JOYOIKCWSA-N 316.365 -0.137 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@H]2CN(Cc3ocnc3C)C[C@H]12 1114159997 PBTOGADZOGUJGP-RYUDHWBXSA-N 316.361 -0.331 30 20 DBED C#CCOCCC(=O)NC1[C@@H]2CN(CC(=O)NCC3CC3)C[C@@H]12 1114266045 LLPHDGUWMCEWOB-ZIAGYGMSSA-N 319.405 -0.401 30 20 DBED C=CCOCCN1C[C@H]2C(NC(=O)[C@H](C)S(C)(=O)=O)[C@@H]2C1 1114475798 ZKAVCZKIWPIFQW-QJPTWQEYSA-N 316.423 -0.332 30 20 DBED C[C@@H]1CCN(CC(=O)N[C@H]2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]32)C1 1114832607 UTWFIIUIOJLPBZ-FOCJUVANSA-N 319.409 -0.986 30 20 DBED C#CCN1C[C@H]2[C@H](NC(=O)CNC(=O)NCc3ccco3)[C@H]2C1 1115288035 KGFAILCDKVHVOM-NHAGDIPZSA-N 316.361 -0.242 30 20 DBED CCN(C[C@H](C)C#N)C(=O)CN1CCC2(CC1)NC(=O)NC2=O 1116403341 MDPSJUVBLFJLNE-LLVKDONJSA-N 321.381 -0.331 30 20 DBED C=CCN(C)C(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 1116721804 SDHRIVDUYJYOSG-UHFFFAOYSA-N 317.349 -0.399 30 20 DBED N#Cc1ccc(NC(=O)C(=O)NCCOCC(N)=O)c(F)c1 1116731437 BSBNALUHUJMNCB-UHFFFAOYSA-N 308.269 -0.746 30 20 DBED C=CCn1cc(CNC(=O)C(=O)NC2CCC(N)CC2)nn1 1118147169 DACALKQEXSBSIE-UHFFFAOYSA-N 306.370 -0.534 30 20 DBED C[C@@H](CN(C)C(=O)Cn1nccn1)Nc1nccnc1C#N 1120199335 GZKZTCWHKWGIAX-JTQLQIEISA-N 300.326 -0.101 30 20 DBED C#CCN1CCN(c2nnc([C@]3(O)CCOC3)n2CC=C)CC1 1121631186 IKNBGBFSYZLEQP-INIZCTEOSA-N 317.393 -0.173 30 20 DBED C=CCCOCC(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1 1121748579 CTNLBBHDXVOJQI-LLVKDONJSA-N 305.338 -0.748 30 20 DBED Cc1nnccc1C(=O)NC[C@@H](CO)Nc1cncc(C#N)n1 1122850435 MQOFCYMUJTUIIF-NSHDSACASA-N 313.321 -0.351 30 20 DBED CC(=O)NCC(=O)N1CC[C@@H](N=c2cc[nH]c(C#N)n2)[C@@H]1C 1122903437 MSAWMOBNCOULBN-GXSJLCMTSA-N 302.338 -0.692 30 20 DBED N#CCSCC(=O)NCCNCC1CCS(=O)(=O)CC1 1123792347 TXSDUTQLCLZAHV-UHFFFAOYSA-N 319.452 -0.226 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)COC(C)C 1124432067 JRUFTBNLGMDUPQ-UHFFFAOYSA-N 300.359 -0.871 30 20 DBED CN(C[C@@H](O)CNc1ncc(C#N)cc1F)C(=O)c1cnn[nH]1 1124896362 MLACKUAMZYBEGB-VIFPVBQESA-N 319.300 -0.245 30 20 DBED C#CCO[C@H](C)C(=O)NCCNCCCS(=O)(=O)CC 1127051729 LUOSHUXHNJLKCK-GFCCVEGCSA-N 304.412 -0.445 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)CCc2ccn(C)n2)C1=O 1128469413 ROCBJMBSZAAWOX-CQSZACIVSA-N 319.409 -0.155 30 20 DBED C=CCCCC(=O)N1C[C@H](n2ccnn2)[C@H](NCC(=O)NC)C1 1129986714 JQCPSQAWBZZLMF-OLZOCXBDSA-N 320.397 -0.278 30 20 DBED C=CCCOCC(=O)N1C[C@H](n2ccnn2)[C@H](NC[C@H](C)O)C1 1130151290 MMRNOFKVSOXUNR-MJBXVCDLSA-N 323.397 -0.407 30 20 DBED C[C@@H](C#N)C(=O)NCc1nc([C@@H]2COCCN2CC#N)n[nH]1 1130836227 YXVYGRIHNJVXLH-UWVGGRQHSA-N 303.326 -0.523 30 20 DBED N#CCNC(=O)CNCCNC(=O)[C@]12CCCC[C@H]1OCC2 1131211376 CUBCZYHGQOMRLN-DOMZBBRYSA-N 308.382 -0.319 30 20 DBED C=CCNC(=O)CN1C[C@H](NC(=O)CNC(C)=O)CC[C@H]1C 1131746175 APEHYPWTRBANBJ-DGCLKSJQSA-N 310.398 -0.606 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CC[C@@H](C)N(CC(=O)NCC)C1 1131981210 UZJPKOLRTBFCTB-CHWSQXEVSA-N 322.409 -0.769 30 20 DBED Cc1c[nH]nc1C(=O)N[C@H]1CC[C@H](C)N(CC(=O)NCC#N)C1 1132021939 SCKXLFHCIROLKF-RYUDHWBXSA-N 318.381 -0.059 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)[C@@H]2CCC(=O)N2C)C1=O 1132529092 ZHMJLRPEHJGDQI-RYUDHWBXSA-N 308.382 -0.900 30 20 DBED C=CCNC(=O)CN1C[C@H](NC(=O)CCCC(N)=O)CC[C@H]1C 1132537068 MCCZDJSHURLUPL-CHWSQXEVSA-N 324.425 -0.087 30 20 DBED C=CCNC[C@H]1CN(C(=O)Cn2ncn(C)c2=O)CC[C@H]1C 1132928656 SYLLGFFUNUEBMZ-OLZOCXBDSA-N 307.398 -0.158 30 20 DBED Cc1cc(C(=O)N[C@@H](C)C[C@@H](C)NCC(=O)NCC#N)n[nH]1 1133865593 DLNJDKQQAGYUKE-ZJUUUORDSA-N 306.370 -0.156 30 20 DBED COCC#CCN[C@H](C)C[C@@H](C)NC(=O)CCS(C)(=O)=O 1134748820 NNKCUDHFKJPBKZ-CHWSQXEVSA-N 318.439 -0.056 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC2(CCN(Cc3nnnn3C)C2)C1 1147531014 VIBJCHIMRXELKQ-LBPRGKRZSA-N 318.381 -0.717 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)COCC(F)F 1154459403 FFDZEBCKKNNFPC-LLVKDONJSA-N 319.352 -0.156 30 20 DBED C[C@@H](C#N)C(=O)NCCCNCC(=O)N1CCOC[C@H]1C1CC1 1155836311 LZAQOVDTVXKBHD-JSGCOSHPSA-N 322.409 -0.121 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)[C@H]1CCCC(=O)N1 1160585299 ZPKFAMHMKPJBER-VXGBXAGGSA-N 310.398 -0.558 30 20 DBED C#CCNC(=O)CC(=O)NCCC1(CNCc2cnon2)CC1 1164183229 XGLGMJGJZOBAIZ-UHFFFAOYSA-N 319.365 -0.415 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)c1csc(O)n1 1164331293 GGGFRONUQWCRSW-VIFPVBQESA-N 310.379 -0.304 30 20 DBED N#CCNC(=O)CNCCCNC(=O)C1(c2cccnc2)CC1 1164456049 KGIGGMJFTIBUFZ-UHFFFAOYSA-N 315.377 -0.151 30 20 DBED Cn1cnn(CCC(=O)NCCC2(CNCC#N)CC2)c1=O 1166371933 KFXZDDAAIWAZST-UHFFFAOYSA-N 306.370 -0.628 30 20 DBED C=CCNC(=O)NC(=O)CNCCCNC(=O)c1ccnnc1 1167277085 JZEMBTFBRWDFJL-UHFFFAOYSA-N 320.353 -0.802 30 20 DBED N#CCNC(=O)CNCC1(CCNC(=O)CN2CCCC2)CC1 1168147257 PNKJLFHMKYWPTK-UHFFFAOYSA-N 321.425 -0.402 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)c1cnc(C)nc1C 1168699408 AJYGETOQVPTDNZ-GFCCVEGCSA-N 317.393 -0.059 30 20 DBED COCC#CCNCCCNC(=O)CCn1cnccc1=O 1169601998 GPFYCXDECYIKQW-UHFFFAOYSA-N 306.366 -0.621 30 20 DBED COCCCOCCC(=O)NCCCNCC(=O)NCC#N 1170540418 HYXBQKGPMRSQEG-UHFFFAOYSA-N 314.386 -0.835 30 20 DBED C#CCCN1CCO[C@H]2CCN(C(=O)CNC(=O)OC)C[C@H]21 1176938886 ZLGLTVCLCOSVIW-OLZOCXBDSA-N 309.366 -0.333 30 20 DBED CCCNC(=O)NC(=O)CN[C@H]1CCN(C(=O)[C@@H](C)C#N)[C@H]1C 1178366880 QHNQDXLGVIONMC-SRVKXCTJSA-N 323.397 -0.039 30 20 DBED CCC(=O)N1C[C@@H](CNCC(=O)NCC#N)C2(CCOCC2)C1 1186203441 LZORVNNKVSMOBG-CYBMUJFWSA-N 322.409 -0.119 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)C2(C(=O)NC)CC2)C1 1186339076 MZXXNMPXORSVOM-VXGBXAGGSA-N 322.409 -0.606 30 20 DBED COCCCCC(=O)N1CC[C@H]2CN(CC(=O)NCC#N)C[C@H]21 1187226169 PGZSLLKWQVGNQA-UONOGXRCSA-N 322.409 -0.024 30 20 DBED COCC#CCN1C[C@@H]2CCN(C(=O)COCCOC)[C@@H]2C1 1187387390 SWSORLRKAFJOIP-LSDHHAIUSA-N 310.394 -0.168 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)C[C@@H](C)COC)[C@@H]2C1 1189605772 XRKGAFYTVCRGQU-QLFBSQMISA-N 321.421 -0.059 30 20 DBED CN(CC(=O)NCC#N)[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 1189734389 IUXCWSQINCGFBF-ZDUSSCGKSA-N 314.349 -0.328 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC[C@@H](N(C)Cc2nc(O)n[nH]2)C1 1189918036 MIZHIQUYOCZQBC-YGRLFVJLSA-N 309.370 -0.130 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@]2(C)CC=CCC2)C1 1193210508 ADWVMJJJFCFVQE-CPUCHLNUSA-N 319.405 -0.357 30 20 DBED CCN(CCC#N)C(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2C)C1 1195278216 PXVSVDKXDNRZAR-AAVRWANBSA-N 322.409 -0.434 30 20 DBED CC(C)C#CC(=O)N1CCCO[C@@H](CNCC(=O)NC(N)=O)C1 1200462653 OWVQHFGGFBBPEX-LBPRGKRZSA-N 324.381 -0.952 30 20 DBED C=CCCCNC[C@H]1CN(C(=O)[C@@H]2CNC(=O)N2)CCCO1 1201268125 CIFZMDNRNXKCTA-STQMWFEESA-N 310.398 -0.159 30 20 DBED C[C@@H]1CCN(C(=O)C(=O)N2CCCO[C@H](CNCC#N)C2)C1 1201824191 RCTIVBGXCVCEQL-CHWSQXEVSA-N 308.382 -0.415 30 20 DBED C#CCCN[C@@H]1C[C@H](NC(=O)Cn2c(O)nnc2O)C12CCC2 1203661801 WEGOBEKUKMIRSO-MNOVXSKESA-N 319.365 -0.270 30 20 DBED C=CCNC(=O)CNCC1CCN(C(=O)[C@@H](C)NC(C)=O)CC1 1204393302 GJGKJHIIGPRUAK-GFCCVEGCSA-N 324.425 -0.359 30 20 DBED N#CCNCC1CCN(C(=O)CCN2C(=O)CCC2=O)CC1 1205643523 HMBJPDXRJDWTGZ-UHFFFAOYSA-N 306.366 -0.123 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(CCOCCO)C[C@H]1C 1207582640 AZOKWUXTCJDQPA-OAGGEKHMSA-N 323.437 -0.471 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)c2cc(OC)no2)C1 1207859769 CQCZFDCIYJTNFZ-NSHDSACASA-N 320.349 -0.373 30 20 DBED Cc1c[nH]nc1C(=O)N1CCC[C@@H](NCC(=O)NCC#N)C1 1207992540 MXGMNLKVCZOEGF-LLVKDONJSA-N 304.354 -0.448 30 20 DBED Cc1c[nH]nc1C(=O)N1CCC[C@H](NCC(=O)NCC#N)C1 1207992541 MXGMNLKVCZOEGF-NSHDSACASA-N 304.354 -0.448 30 20 DBED CN(C)C1(C(=O)N2CCC[C@H](NCC(=O)NCC#N)C2)CCC1 1208329052 NKXCNGPLAXRCKB-ZDUSSCGKSA-N 321.425 -0.309 30 20 DBED COCC#CCN1C[C@@H](NC(=O)c2cncnc2)[C@H](OC)C1 1212150120 PNHAVVUJIXGFIQ-ZIAGYGMSSA-N 304.350 -0.445 30 20 DBED C[C@@H]1CN(C(=O)Cc2cncs2)C[C@H]1NCC(=O)NCC#N 1214909609 UBTPFJKYEJZCDI-ZYHUDNBSSA-N 321.406 -0.238 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)C[C@@H]2CC(=O)NC2=O)C[C@H]1C 1217124010 RWVDCKSUELHVSR-FRRDWIJNSA-N 321.377 -0.875 30 20 DBED CCN(CCC#N)C(=O)CN1C[C@H](O)[C@H](NC(=O)C2CCC2)C1 1219087801 QJZWJHHAHLDUBG-KGLIPLIRSA-N 322.409 -0.290 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C(F)=C2CCCC2)C1 1219455344 GBTYXYBBIDTIEA-OLZOCXBDSA-N 323.368 -0.305 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)c2cc(C)ncn2)C1 1219469674 ULUCOZVYUGJGLM-KGLIPLIRSA-N 304.350 -0.790 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)CCc2ccnc(C)n2)C1 1220063294 PZCSFZJYDGEQPN-CABCVRRESA-N 302.378 -0.098 30 20 DBED CC1(C)CC(CC(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@@H]2O)C1 1220207742 RSRGZJLIJJZWAN-OLZOCXBDSA-N 322.409 -0.386 30 20 DBED COCC#CCN1CC[C@@H]2CN(C(=O)C(C)(C)C(N)=O)[C@@H]2C1 1221630006 YLCYDHGXIFOKKM-CHWSQXEVSA-N 307.394 -0.320 30 20 DBED C#CCCN1CCC(CNC(=O)CS(=O)(=O)NC)CC1 1225463501 GYKFOJNYLILILX-UHFFFAOYSA-N 301.412 -0.613 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1ncc[nH]1 1226068371 ZZGKEXGTYVXVLZ-VXGBXAGGSA-N 303.366 -0.210 30 20 DBED N#CCNC(=O)CN1CCC(NC(=O)c2cnsn2)CC1 1226220113 MCWSYAFVHLCFRW-UHFFFAOYSA-N 308.367 -0.628 30 20 DBED N#CCN1CCS(=O)(=O)[C@@H](CCNC(=O)[C@@H]2CC2(F)F)C1 1230460495 QUAZIUGFDMXJER-UWVGGRQHSA-N 321.349 -0.230 30 20 DBED C=CCNC(=O)CN1CC[C@H]1CN(C)C(=O)c1cnn(C)c1 1230740202 RQBCFSJAXBNNAP-ZDUSSCGKSA-N 305.382 -0.131 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@@H]1CN(C)C(=O)CCOCC#C 1234246067 IGPPYFZFOQFORD-LSDHHAIUSA-N 319.405 -0.303 30 20 DBED CON1CCC(N(C)C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)CC1 1261487547 WQRIDFOATQMPGF-HNNXBMFYSA-N 324.381 -0.652 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(C)Cc2ccn(C)n2)C1=O 1262821714 YGOSYHUNQRDDEL-UHFFFAOYSA-N 319.321 -0.645 30 20 DBED C#CCCNC[C@H]1CCCCN1C(=O)Cn1ncn(C)c1=O 1280444992 JVGZWPHRJPAKGR-CYBMUJFWSA-N 305.382 -0.424 30 20 DBED CC(C)(C)NC(=O)CCNC(=O)C(=O)N1CCO[C@H](C#N)C1 1322740032 JNGMOOJCQWXSJY-SNVBAGLBSA-N 310.354 -0.842 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N[C@@H](C)CO[C@H]1CCOC1 1323413505 LOEPWDSOMAGNDA-KBPBESRZSA-N 306.362 -0.218 30 20 DBED N#CCC1(CNC(=O)C(=O)N[C@@H]2CCCS(=O)(=O)C2)CC1 1324169453 YLCGVMYLXQROMM-SNVBAGLBSA-N 313.379 -0.510 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCC[C@@H](n2ccnc2)C1 1324878631 MNWAIKIYDKAXNX-CYBMUJFWSA-N 304.350 -0.187 30 20 DBED CC(C)(C(=O)NC(C(N)=O)C(N)=O)c1cc(F)cc(C#N)c1 1327153269 KIGITKSZELACQW-UHFFFAOYSA-N 306.297 -0.570 30 20 DBED CN1CC[C@]2(CCN(C(=O)C(=O)N3CC[C@@](O)(CC#N)C3)C2)C1 1329465986 NLVRJMIETGFYCF-HOTGVXAUSA-N 320.393 -0.582 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCC[C@H]1C(=O)NC(C)(C)C 1334042545 FTLSFAIMQCTCCO-LBPRGKRZSA-N 323.393 -0.342 30 20 DBED C=CCn1c(N(C)C[C@@H](C)C(=O)NC)nnc1[C@@]1(O)CCOC1 1340772297 QRDUYFNYVBETAJ-IAQYHMDHSA-N 323.397 -0.110 30 20 DBED C#CCNCC(=O)NCc1ccc(C(=O)NCCN(C)C)cc1 1341601510 VSMOGHUGQDKIQL-UHFFFAOYSA-N 316.405 -0.183 30 20 DBED CN1CCN(C)[C@@H](CNC(=O)C(=O)N2CCC(CC#N)CC2)C1 1342095773 HHOOPOZRZDQOEF-AWEZNQCLSA-N 321.425 -0.499 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CCO[C@H](CC(=O)OC)C1 1343078544 BRASPTBKVWEZEG-GHMZBOCLSA-N 314.338 -0.906 30 20 DBED CC(C)(O)CN(C(=O)C(=O)N1CC[C@](O)(CC#N)C1)C1CC1 1345972382 NLKCACSNZDLQLJ-OAHLLOKOSA-N 309.366 -0.375 30 20 DBED C#CCSCCNC(=O)C(=O)N(C)[C@H](CO)COC(C)C 1346609422 CJLNXTFJSYMMSC-GFCCVEGCSA-N 316.423 -0.287 30 20 DBED CCN(C)C(=O)CNC(=O)C(=O)NCc1ccc(C#N)cc1 1346953561 GTZWGIQMYCRDGG-UHFFFAOYSA-N 302.334 -0.231 30 20 DBED CC[C@@H]1CN(C(=O)Cn2cc(C#N)c(O)nc2=O)C[C@H](C)O1 1361864652 ZQAIVHXIDICKHN-GXSJLCMTSA-N 306.322 -0.154 30 20 DBED Cc1nccnc1C(=O)NCCn1cc(C#N)c(O)nc1=O 1362687120 HSSVHWLLDUXOEK-UHFFFAOYSA-N 300.278 -0.651 30 20 DBED N#Cc1cn(CC(=O)N[C@H]2C[C@@H]2c2cccnc2)c(=O)nc1O 1362725229 LJBUMJDSPNYNIQ-NEPJUHHUSA-N 311.301 -0.112 30 20 DBED CCCNC(=O)CCC(=O)NCCn1cc(C#N)c(O)nc1=O 1363289553 ZYMLLHIDPDZSBR-UHFFFAOYSA-N 321.337 -0.757 30 20 DBED CO[C@@H]1COCC[C@H]1CNS(=O)(=O)N(C)C[C@@H](C)C#N 1364876357 XWCYHZRQQSOZEF-SDDRHHMPSA-N 305.400 -0.036 30 20 DBED CCN(C(=O)c1ccc(C#N)[nH]1)[C@H](C)CNC(=O)CNC(C)=O 1371328635 YFBVAAYOEHANRQ-SNVBAGLBSA-N 319.365 -0.011 30 20 DBED C[C@H](C#N)C(=O)NC1CN(Cc2nc(O)c3cnn(C)c3n2)C1 1373419162 YAEGKQOLCRYLAG-MRVPVSSYSA-N 315.337 -0.471 30 20 DBED C[C@H](C#N)C(=O)N(C)CCNC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1387043992 QSNLXOFXKJBUSY-MROQNXINSA-N 309.366 -0.228 30 20 DBED CC(C)[C@@H](CNC(=O)c1c[nH]c(=O)cn1)NC(=O)[C@H](C)C#N 1388945724 YSOXKQUDUNFFRI-NXEZZACHSA-N 305.338 -0.200 30 20 DBED C[C@@H](CN(C)C(=O)c1cc(C#N)c[nH]1)NC(=O)[C@H]1C[C@H]1C(N)=O 1395547931 BJGSPBITQMDYND-GDPRMGEGSA-N 317.349 -0.416 30 20 DBED C[C@@H](C#N)C(=O)N1CC(CNC(=O)CCCS(C)(=O)=O)C1 1398782552 FXPNQLKWSLMUBD-JTQLQIEISA-N 315.395 -0.455 30 20 DBED COCCN(CCNC(=O)[C@@H](C)C#N)C(=O)c1n[nH]c(C)c1O 1405766691 DTJNNURPFSPTFS-VIFPVBQESA-N 323.353 -0.212 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)CCCS(C)(=O)=O)C1 1407830937 HBYFQRQXWCZLOV-GMTAPVOTSA-N 315.395 -0.266 30 20 DBED Cc1cc(C(=O)N(C)[C@@H](C)C#N)nc2c1c(=O)n(C)c(=O)n2C 1411406586 VIXJARDHJHBMBQ-VIFPVBQESA-N 315.333 -0.075 30 20 DBED COC(=O)C1(C#N)CCN(C(=O)[C@@H]2CCCN2C(N)=O)CC1 1412118208 ZKVKPKBHLUDGMA-JTQLQIEISA-N 308.338 -0.165 30 20 DBED CCN(CCC#N)C(=O)CN[C@@H](C)CNC(=O)[C@H]1CCCN1C 1419715400 UFAHTGIKMPNGPA-UONOGXRCSA-N 323.441 -0.063 30 20 DBED CNC(=O)NC(=O)[C@H](C)N(C)CCCN(C)C(=O)[C@H](C)C#N 1421836122 CPQNAVHRPUSYFX-MNOVXSKESA-N 311.386 -0.230 30 20 DBED N#Cc1cc(C(=O)NC2(CNC(=O)Cn3cncn3)CC2)c[nH]1 1432326157 HVUOBLUKTTZMCX-UHFFFAOYSA-N 313.321 -0.443 30 20 DBED Cc1cnc(CNC(=O)Cn2cc(C#N)c(O)nc2=O)nc1 1434117232 NBOPEWMNIUIMQJ-UHFFFAOYSA-N 300.278 -0.765 30 20 DBED C[C@H]1COCC[C@H]1CNC(=O)CCn1cc(C#N)c(O)nc1=O 1449077522 QUEIMGVFKUPGKM-QWRGUYRKSA-N 320.349 -0.001 30 20 DBED CCN(CCNC(=O)[C@H](C)C#N)C(=O)[C@H]1CCc2nncn2C1 1529069964 SUAUEJRERYIGGZ-NEPJUHHUSA-N 318.381 -0.035 30 20 DBED C[C@@H]1CC(=NC(=O)c2nn(C)cc2CN2CC[C@H](O)C2)NO1 1552720780 HIENOUGKYCKONY-KOLCDFICSA-N 307.354 -0.161 30 20 DBED C=CCCCNCc1cn(C2CN(C(=O)CNC(=O)O)C2)nn1 1573367370 UZQAVSBPRKQKJD-UHFFFAOYSA-N 322.369 -0.015 30 20 DBED C[C@@H]1CC[C@@H](C(N)=O)CN1c1cnc(C#N)c(-c2nn[nH]n2)n1 1576101466 SJBLMAMDKVVMNM-HTQZYQBOSA-N 313.325 -0.381 30 20 DBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1C[C@@H](N)C1 1576253738 YWAINOHRURNLDV-JLLWLGSASA-N 322.390 -0.169 30 20 DBED N#Cc1ncc(NCC2(CO)CCOCC2)nc1-c1nn[nH]n1 1581882876 KGHQDNBHANXQOY-UHFFFAOYSA-N 316.325 -0.271 30 20 DBED C#CC[C@@H](NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)C(=O)O 1588405529 QXNAPZDKQKBUPX-LLVKDONJSA-N 319.273 -0.083 30 20 DBED C#CCN(C)CCCNS(=O)(=O)c1n[nH]c(C)c1C(=O)O 1588463811 LXMGTOAANQCRJL-UHFFFAOYSA-N 314.367 -0.350 30 20 DBED C#CCN1CCC(C(=O)N2CCN(C)C[C@H](C(=O)O)C2)CC1 1588471486 QSGFLUFNLKXJGX-AWEZNQCLSA-N 307.394 -0.194 30 20 DBED C#CCN1CCC[C@H](NC(=O)N2CCN(C)C[C@H](C(=O)O)C2)C1 1588475885 ITNIBLKQFIQKDG-KBPBESRZSA-N 322.409 -0.258 30 20 DBED C=CCCC[C@H](NC(=O)CNS(=O)(=O)N(C)C)C(=O)O 1588788926 RLPXAFNVWSMMTM-VIFPVBQESA-N 307.372 -0.692 30 20 DBED C=CCNC(=O)CN[C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2C(=O)O)C1 1588844695 OZPIRNFFWNIOLW-DDHJBXDOSA-N 309.366 -0.506 30 20 DBED N#CCN1CCC[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1592677259 AGBSSMBQNSTLAX-SECBINFHSA-N 300.326 -0.087 30 20 DBED COCC#CCN1CCC(CO)(NC(=O)[C@@H]2C[C@H]2C(=O)O)CC1 1599139753 YFLVERISEOAIJE-CHWSQXEVSA-N 324.377 -0.700 30 20 DBED C#C[C@@](C)(CC)NC(=O)Cn1cc(-c2nn[nH]n2)c(O)nc1=O 1602689411 FVPRTDBGHDFLEI-ZDUSSCGKSA-N 317.309 -0.953 30 20 DBED C[C@@H](C(=O)NCC(=O)O)N1CCN(c2ncccc2C#N)CC1 1603162595 XHAUZEJGCJVVDJ-NSHDSACASA-N 317.349 -0.335 30 20 DBED N#Cc1ccc(C(=O)N2CCC[C@H]2C(=O)NCC(=O)O)cn1 1608199180 VYYSGYLEBDXTAB-NSHDSACASA-N 302.290 -0.241 30 20 DBED N#CCN1CCC(NC(=O)NCCn2cc(C(=O)O)nn2)CC1 1610622861 KNNLPHGWYOKUEV-UHFFFAOYSA-N 321.341 -0.737 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)[C@@H](C)n2cncn2)C1 1649447577 LILUJPUSPKXLPC-VXGBXAGGSA-N 306.370 -0.668 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCCCN(C)CC(=O)NCC#N 1752062970 GPJBFAGGWBFUMY-OLZOCXBDSA-N 308.382 -0.345 30 20 DBED C#CCNC(=O)CN[C@@H](CNC(=O)c1coc(C)n1)C1CC1 1752456728 AYOSNOKRJQQNSN-LBPRGKRZSA-N 304.350 -0.170 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H](C)CNC(=O)Cc1[nH]cnc1C 1752913525 JIZKSNJGCUQFFF-ZYHUDNBSSA-N 305.382 -0.507 30 20 DBED CC#CCN(CCC)CCNC(=O)CN(C)S(C)(=O)=O 1753145003 QMFNLATUDUZDFY-UHFFFAOYSA-N 303.428 -0.271 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)NCC1CN([C@H](CC)C(N)=O)C1 1753411230 HBRDLXUOETXBGB-ZIAGYGMSSA-N 324.425 -0.231 30 20 DBED COCC#CCN1CCO[C@H](CNC(=O)c2[nH]nnc2C)C1 1753652048 ZIRZCHWHBNFSJD-GFCCVEGCSA-N 307.354 -0.806 30 20 DBED C=CCOCCNC[C@@H](C)N(C)C(=O)C1CS(=O)(=O)C1 1753693514 OVTYAXORKGQSAS-LLVKDONJSA-N 304.412 -0.330 30 20 DBED C#CCNC(=O)[C@H](C)N(C)CCN(C)C(=O)CN1CC[C@@H](C)C1 1753863378 VRDORJSXUWPVFW-CABCVRRESA-N 322.453 -0.144 30 20 DBED C#CCCNC/C=C/CNC(=O)[C@@H]1CCc2nnnn2CC1 1754183780 PNEINROUHDDTPO-MUBLQREKSA-N 302.382 -0.089 30 20 DBED COCC#CCN(C)C[C@H](C)NC(=O)CCS(C)(=O)=O 1754315012 SWHPFQIHEMTSLL-LBPRGKRZSA-N 304.412 -0.493 30 20 DBED CC#CCNCCCN(C)C(=O)CCc1nnc(O)nc1O 1754382364 KBSHISRYCAPRNF-UHFFFAOYSA-N 307.354 -0.323 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)N[C@@H]1[C@H]2C[C@H]1N(CC#N)C2 1754431911 XNXZEQFBQZBGAH-QJPTWQEYSA-N 305.382 -0.037 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC[C@@H]1CNC(=O)Cc1ccn(C)n1 1754483128 WGGXGXWTLXXVHH-TZMCWYRMSA-N 319.409 -0.156 30 20 DBED C=CCNC(=O)CN1CC[C@@H]1CNC(=O)C[C@@H]1CCCC(=O)N1 1754489473 YHGTZAHRGFMPPQ-QWHCGFSZSA-N 322.409 -0.462 30 20 DBED C#CCNC[C@@H](NC(=O)CC[C@@H]1NC(=O)NC1=O)C1CCCC1 1754655954 IBPNUTXGYRQVHR-QWHCGFSZSA-N 320.393 -0.128 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@]1(O)CCN(CCO)C1 1754760061 QLLOGVANEWBXIU-UKRRQHHQSA-N 313.398 -0.997 30 20 DBED C[C@@H](C(=O)NCC1(O)CN(CC#N)C1)N(C)CC(F)(F)F 1754772207 BODGFRMVTJAJTO-VIFPVBQESA-N 308.304 -0.445 30 20 DBED CCCNC(=O)CN1CCC[C@](CO)(NC(=O)C#CC2CC2)C1 1754856220 GYSIYCKDQUALIY-KRWDZBQOSA-N 321.421 -0.131 30 20 DBED C#CCNC(=O)CN1CCOC[C@@H]1CNC(=O)C1CC=CC1 1754966175 QHRSTQFNWZWMPH-AWEZNQCLSA-N 305.378 -0.481 30 20 DBED C=C(C)CNC1(CNC(=O)[C@@H]2CCS(=O)(=O)N2)CCC1 1754992904 VYTOXXXGUZGPHT-NSHDSACASA-N 301.412 -0.117 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCC(O)(CNCCCO)CC1 1755149186 XUKYGYSRFFYLOW-CQSZACIVSA-N 300.399 -0.361 30 20 DBED C#CCCN(C)C[C@H]1CCCN1C(=O)CN1CCOCC1=O 1755195283 MRURBBPHMVOFLZ-CQSZACIVSA-N 307.394 -0.209 30 20 DBED C=CCOCCN1C[C@@H]2C(CNC(=O)Cn3cncn3)[C@H]2C1 1755435348 FDIVFTBLXFZHHW-ZIAGYGMSSA-N 305.382 -0.225 30 20 DBED C#CCNC(=O)CNC[C@H]1CC[C@@H](NC(=O)CSCC#N)C1 1755730945 PDVVZMVMTZFQJF-QWHCGFSZSA-N 322.434 -0.133 30 20 DBED COCC#CCNC[C@@H]1CC[C@H](NC(=O)c2c[nH]c(=O)cn2)C1 1755743796 NKOIYIRBJFHLQH-OLZOCXBDSA-N 318.377 -0.092 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C[C@@H](O)CN(C)Cc1nncn1C 1755800426 IBAANITUQOCXHL-STQMWFEESA-N 323.397 -0.896 30 20 DBED CC(C)(C)C#CC(=O)NC[C@H]1C[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 1756260823 INVQIDKFPLWCJL-SRVKXCTJSA-N 320.393 -0.272 30 20 DBED C=C1CC(C)(C(=O)N[C@H](CO)CNC(=O)[C@H]2CCNC(=O)C2)C1 1756513152 BLCKDLFYEIWJFV-RYUDHWBXSA-N 323.393 -0.538 30 20 DBED C#CCOCCC(=O)NC[C@H](CO)NC(=O)c1ncoc1C 1756520779 DGINFRISJBGHFJ-LLVKDONJSA-N 309.322 -0.770 30 20 DBED C=C1CC(C)(C(=O)N[C@@H](CO)CNC(=O)C[C@@H]2CCC(=O)N2)C1 1756532325 HPQHTGCFRANXLA-NWDGAFQWSA-N 323.393 -0.395 30 20 DBED C=C1CC(C)(C(=O)NC[C@H](O)CN(C)C(=O)c2ncn(C)n2)C1 1756660115 BDCPHNUIUBGMGT-NSHDSACASA-N 321.381 -0.280 30 20 DBED C[C@@H]1CN(C(=O)[C@H]2CCNC2=O)C[C@H]1NC(=O)C#CC1CC1 1757068495 ZASMWSNVPCBHPY-KGYLQXTDSA-N 303.362 -0.501 30 20 DBED C=CCCOCC(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)C(N)=O 1757413510 JWQHUXPYBQCBSQ-NEPJUHHUSA-N 311.382 -0.192 30 20 DBED C=CCN(CC=C)S(=O)(=O)NC[C@]1(C(=O)O)CCOC1 1776177329 IOGCTQRNZIIIJZ-GFCCVEGCSA-N 304.368 -0.014 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)CCc1cnc[nH]1)CCO2 1783048020 NSFGQEIHIVUUHP-MRXNPFEDSA-N 316.361 -0.195 30 20 DBED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)C(C)C)C[C@@H]21 1790789852 NWQDQJMWRHDOFP-PWNZVWSESA-N 308.378 -0.384 30 20 DBED Cc1ncc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CC#N)[nH]1 1795078819 LXSSKIKEEKYVGY-GNXNZQSNSA-N 317.349 -0.165 30 20 DBED N#CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=COCC1 1801544431 ITKOAEYIOGXEMQ-DABQJJPHSA-N 305.334 -0.206 30 20 DBED C#CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)COCCO)CC2 1825022361 GUJLOVUCWFQJIP-SECBINFHSA-N 323.374 -0.303 30 20 DBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(F)CC1)CCO2 1839758872 NANODFLGKQLTFV-AWEZNQCLSA-N 310.325 -0.422 30 20 DBED C[C@@H](S)C(=O)N1CC2(CCCN2C(=O)[C@@H]2CNC(=O)C2)C1 1846000970 LGEGIFLIDDVVNW-ZJUUUORDSA-N 311.407 -0.356 30 20 DBED C[C@]1(C(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)CCCN1 1846196371 QEXKNKBIMRMXPO-OAHLLOKOSA-N 319.361 -0.580 30 20 DBED N#CCC(=O)N1CC2(CCCN2C(=O)CCn2cncn2)C1 1846545393 CHJVWWVQFZRBCZ-UHFFFAOYSA-N 302.338 -0.215 30 20 DBED C[C@@H](S)C(=O)N1CC2(CCCN2C(=O)[C@@H](C)n2cnnn2)C1 1846648477 DVZQWHZZENXPGA-NXEZZACHSA-N 324.410 -0.244 30 20 DBED C=C(C)CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 48998599 NEUYKBQKOBZILD-IDTAVKCVSA-N 321.337 -0.574 30 20 DBED C#CCCOC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 52746468 KUFXJVOOSQGRNK-UHFFFAOYSA-N 304.306 -0.610 30 20 DBED CC#CC(=O)N[C@H](C(=O)NCCN1CCOCC1)[C@@H](C)CC 283318299 VOJKBWDAHPIXQU-ZFWWWQNUSA-N 309.410 -0.011 30 20 DBED C=C[C@@H](CO)NC(=O)[C@@H]1C[C@H](C)C[C@H]1C(=O)N[C@H](C=C)CO 290713354 WYQCNNJHQDCJHK-RKQHYHRCSA-N 310.394 -0.025 30 20 DBED C#CCOc1ccccc1NC(=O)C(=O)N1CCOC[C@H](O)C1 296246219 FLRSRVSPRWRUKR-GFCCVEGCSA-N 318.329 -0.143 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(Cc2cnns2)c1=O 298196215 FQOMYKMDNYNROS-UHFFFAOYSA-N 307.335 -0.557 30 20 DBED CN1CCN(C)[C@H](C/N=C(/O)c2ccnc3c2nnn3C)C1 328758234 VPPXFBRLHLLYGE-SNVBAGLBSA-N 303.370 -0.086 30 20 DBED C[C@H]1CN(/C(O)=N/Cc2cnnn2C)CCN1S(C)(=O)=O 329702443 IDXRBQOHDOTDID-VIFPVBQESA-N 316.387 -0.805 30 20 DBED CN(C[C@@H](O)CN1CCOCC1)C(O)=Nc1cnns1 330271951 WVELOVWWMYNGSU-SECBINFHSA-N 301.372 -0.292 30 20 DBED C[C@H](CS(C)(=O)=O)/N=C(/O)N1CCC[C@@H](OCCO)C1 331235127 SSWHJLCDXSQKQY-GHMZBOCLSA-N 308.400 -0.193 30 20 DBED CC[C@@H]1CN(S(=O)(=O)N(C)CCC#N)CCN1C[C@H](C)O 331280102 QFMTYLLIZFLQQQ-QWHCGFSZSA-N 318.443 -0.146 30 20 DBED C[C@@H](CS(C)(=O)=O)N(C1CC1)S(=O)(=O)N(C)CCC#N 331775856 RBJSNUFJNSHARH-JTQLQIEISA-N 323.440 -0.026 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N1C[C@H](C)O[C@H](C(N)=O)C1 336955371 YJPFYAKSPYUTIA-VWYCJHECSA-N 318.399 -0.713 30 20 DBED COCCN(CCC#N)S(=O)(=O)NC[C@@]1(O)CCO[C@@H]1C 337166777 CDFYOSGJGLNUHG-NEPJUHHUSA-N 321.399 -0.777 30 20 DBED C=CCNC(=O)CNC(=O)[C@H](C)NC(=O)COc1ccccc1 347887195 IFAAFSJAFLJRQQ-LBPRGKRZSA-N 319.361 -0.012 30 20 DBED N#CCNC(=O)CNC(=O)Nc1nc2cc(Cl)ccn2n1 353535162 WMFNHPVGQVOJQV-UHFFFAOYSA-N 307.701 0.144 30 20 DBED N#CCNC(=O)CNC(=O)N1CCN(c2ncc(F)cn2)CC1 358287325 BYKJPQKYHKOEQF-UHFFFAOYSA-N 321.316 -0.913 30 20 DBED C=C[C@@H](CO)NC(=O)NCCN1CCN(C(=O)C2CCC2)CC1 358778162 IGWRDYOTIKJRJH-AWEZNQCLSA-N 324.425 -0.223 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N(C)CC1(O)CCOCC1 407955835 JCYSVFAXIHPBAD-NSHDSACASA-N 305.400 -0.204 30 20 DBED CC(C)NS(=O)(=O)NCCNC(=O)NCCCCC#N 428600638 NDCOHYMWTLDWML-UHFFFAOYSA-N 305.404 -0.188 30 20 DBED CC[C@@H](CC#N)NC(=O)C(=O)Nc1cnc(OC)c(C(N)=O)c1 439562795 UVFXDOOLYFWFBW-QMMMGPOBSA-N 319.321 -0.064 30 20 DBED Cc1cc(NC(=O)C(=O)N[C@H](CO)C(C)(C)C)nn1CCC#N 440224198 AHHBDULRUANGKH-LLVKDONJSA-N 321.381 0.567 30 20 DBED CCN(CCNC(=O)C(=O)Nc1ccn(CCC#N)n1)C1CC1 444572571 OAHWFRLNLHVDJP-UHFFFAOYSA-N 318.381 0.336 30 20 DBED C=C[C@@H]1OCC[C@H]1NS(=O)(=O)CCCN1CCOCC1 451855270 BABOWBLZGKMLTF-OLZOCXBDSA-N 304.412 -0.028 30 20 DBED C#CCN1CCN(C(=O)CN2C[C@@H](COC)O[C@H](C)C2)CC1 490711664 AYJPDIAVKLGRCF-CABCVRRESA-N 309.410 -0.501 30 20 DBED C#CCN1CCN(C(=O)CN2CCC[C@@H](C3OCCO3)C2)CC1 490762017 ZGVRNNRMXQZBRK-OAHLLOKOSA-N 321.421 -0.151 30 20 DBED C#CCN(C)C(=O)CNS(=O)(=O)c1c[nH]c2ncccc12 491096587 UTWVZSXHZASRRB-UHFFFAOYSA-N 306.347 -0.067 30 20 DBED COc1cc(C#N)ccc1S(=O)(=O)N1CCN(C)C[C@H]1CN 565044355 OAMMIQZEOPSSQO-GFCCVEGCSA-N 324.406 -0.170 30 20 DBED N#CCC(=O)N1CCN(C(=O)[C@@H]2OC[C@H]3COCC[C@H]32)CC1 566440999 YJJBLRKKRMXTSY-YRGRVCCFSA-N 307.350 -0.378 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N[C@H]1CCN(S(C)(=O)=O)C1 577498174 MHVNBTHEFMTEBY-UWVGGRQHSA-N 324.428 -0.911 30 20 DBED N#Cc1cnn(-c2ccccc2NC(=O)Cn2cnnn2)c1N 588836772 IFEYETSRNPFWTQ-UHFFFAOYSA-N 309.293 -0.049 30 20 DBED CN(CCC#N)S(=O)(=O)N1CC(C)(C)OC[C@@H]1C(=O)O 590899045 MTAPXPMQJOVBRC-SECBINFHSA-N 305.356 -0.359 30 20 DBED N#C[C@H]1CC[C@@H](NC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)O)C2)C1 595275293 BYBXIANAOMQEGV-MYQWFSQQSA-N 321.333 -0.646 30 20 DBED CCCN1CC[C@@H](NS(=O)(=O)N2CCO[C@H](C#N)C2)C1 595353330 FKHHTBHYACMZPG-VXGBXAGGSA-N 302.400 -0.471 30 20 DBED CCN(CC(=O)NCCCN(C)S(C)(=O)=O)[C@H](C)C#N 595813400 MGGGLRZZMOLJDH-LLVKDONJSA-N 304.416 -0.382 30 20 DBED CCOC(=O)CNC(=O)[C@H]1COCCN1C(=O)CCCC#N 597629241 YUSNVGSJEZHSCY-LLVKDONJSA-N 311.338 -0.413 30 20 DBED COC(=O)C[C@H](O)CNS(=O)(=O)Cc1ccc(C#N)cc1 599464043 JBGSDOSZXSQDJX-LBPRGKRZSA-N 312.347 -0.098 30 20 DBED N#Cc1ncn(CCNC(=O)[C@@]2(C3CCCC3)CCNC2=O)n1 599931535 DJNAAMQDLSSPTE-OAHLLOKOSA-N 316.365 -0.038 30 20 DBED COCC1CN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1 603148561 PTFPDOSBMCPIJA-UHFFFAOYSA-N 323.374 -0.059 30 20 DBED CCNS(=O)(=O)CCNC(=O)Nc1ccn(CCC#N)n1 743169622 YJKRHOGVMHDUAR-UHFFFAOYSA-N 314.371 -0.142 30 20 DBED C#CCOc1cc(F)ccc1NC(=O)C(=O)NCC(=O)NC 743881064 UJUSHOOSJBWQIM-UHFFFAOYSA-N 307.281 -0.362 30 20 DBED CS(=O)(=O)CC(=O)OCC(=O)NCc1ccc(C#N)cc1 746585084 ZKDNHRSLGYDAIG-UHFFFAOYSA-N 310.331 -0.238 30 20 DBED Cn1ncc(C(=O)OCC(=O)NCC#N)c1Br 759629787 UDQXTYZTFXXIFQ-UHFFFAOYSA-N 301.100 -0.021 30 20 DBED NC(=O)CON=Cc1c(Cl)nc(N)nc1N1CCOCC1 771570973 NLDLVJUXCLDQMX-UHFFFAOYSA-N 314.733 -0.615 30 20 DBED C[C@H](C(=O)N(C)CC(=O)[C@H](C#N)C(=O)NC1CC1)n1cccn1 815908768 IOZMRMOIQMKZJW-PWSUYJOCSA-N 317.349 -0.110 30 20 DBED C=CCNC(=O)CNC(=O)CNc1ccc(-c2nn[nH]n2)cn1 823920011 WLVRMLMUOFHWAV-UHFFFAOYSA-N 316.325 -0.908 30 20 DBED CCn1nc(C)c(C(=O)Cn2c(=O)c(C#N)cn(CC)c2=O)n1 828947244 NJDDEZHPAIREHB-UHFFFAOYSA-N 316.321 -0.296 30 20 DBED C[C@H](CN)NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 834525136 JXTVLPARUOXVJI-SNVBAGLBSA-N 324.406 -0.031 30 20 DBED C#CCCOC(=O)N1CCS(=O)(=NS(C)(=O)=O)CC1 859165151 UITVXHPGXLXGFD-UHFFFAOYSA-N 308.381 -0.111 30 20 DBED C#CC[C@H](CCOC)NC(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 875916966 QGJTWTJYBMKWMD-GHMZBOCLSA-N 308.338 -0.640 30 20 DBED C=CCS(=O)(=O)CCNC(=O)CNC(=O)N1CCCC1 907307004 BDBYNIFIKLGOOL-UHFFFAOYSA-N 303.384 -0.491 30 20 DBED C#CC1(O)CN(S(=O)(=O)c2ccc(CNC(C)=O)cc2)C1 908228234 AFTYIIHUEBRHSR-UHFFFAOYSA-N 308.359 -0.309 30 20 DBED N#Cc1ccc(NCCNC(=O)NCCN2CCOCC2)nc1 915884786 JWSKFJIXFHXSHD-UHFFFAOYSA-N 318.381 -0.003 30 20 DBED C#CCN1CCC[C@H](NC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)C1 923575575 JAMOZPZPMDEVLM-GJZGRUSLSA-N 320.437 -0.390 30 20 DBED C#CCN1CCC[C@H](NC(=O)CS(=O)(=O)N(CC)CC)C1 923576588 SWNLWGDUHZZFNW-ZDUSSCGKSA-N 315.439 -0.128 30 20 DBED C#CC1(O)CN([C@@H](C)C(=O)N(CC)[C@H]2CCS(=O)(=O)C2)C1 934441798 USLYEYLZLAAMLF-RYUDHWBXSA-N 314.407 -0.910 30 20 DBED N#Cc1ccc(C(=O)NC[C@@H]2CCCCN2C(=O)C(N)=O)[nH]1 937465058 OOLJQMOTNKVJEW-JTQLQIEISA-N 303.322 -0.517 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](N(C)C(=O)c2cc(=O)n(C)cn2)C1 939408846 CFFAEKDKLLXEHB-MNOVXSKESA-N 317.349 -0.387 30 20 DBED C[C@@H](C#N)C(=O)N1CCCN(C(=O)c2c[nH]c(C(N)=O)c2)CC1 941115350 DDEYIDSKAXCTPS-JTQLQIEISA-N 317.349 -0.052 30 20 DBED C#CCN1CC[C@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)C[C@@H]1C 947895565 OMIYXKMMQBWUAC-RYUDHWBXSA-N 320.393 -0.081 30 20 DBED COc1ccc(CN2CCN(C(=O)C(N)=O)CC2)cc1C#N 949967343 WKUKCUDVCFAUTR-UHFFFAOYSA-N 302.334 -0.304 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H](NC(=O)CN2CCCC2=O)C1 951865721 XUZVKKJQEXLHRZ-VXGBXAGGSA-N 306.366 -0.124 30 20 DBED COc1cc(C(=O)N(C)C2CN(C(=O)[C@H](C)C#N)C2)nn1C 954889851 KFDQBZXLPXWXBS-SECBINFHSA-N 305.338 -0.129 30 20 DBED C#CCCN1C[C@H](O)[C@H](CNC(=O)c2cn3c(n2)CCC3)C1 958082587 YYZTYEYFJIZMIQ-OCCSQVGLSA-N 302.378 -0.125 30 20 DBED N#CCN1C[C@H](O)[C@H](CNC(=O)c2ccnc3ccnn23)C1 958136174 ZKOWAQNFEKPNHL-PWSUYJOCSA-N 300.322 -0.725 30 20 DBED C=C(C)CCN1C[C@H](CNC(=O)c2cc(=O)n(C)cn2)[C@@H](O)C1 958148279 GYUXPYHEXUTHOD-JSGCOSHPSA-N 320.393 -0.231 30 20 DBED N#CCN1C[C@H](CNC(=O)c2cnn3c2OCCC3)[C@@H](O)C1 958220095 SKTOBVBOFDBVSX-JQWIXIFHSA-N 305.338 -0.788 30 20 DBED C#CCCN1C[C@H](CNC(=O)c2ccn(CCOC)n2)[C@@H](O)C1 958249844 WIUAZLABPRZPJL-ZFWWWQNUSA-N 320.393 -0.425 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2csnn2)C1 958900440 IPSSFXFYVPHXGW-HGNGGELXSA-N 309.351 -0.659 30 20 DBED C=CCn1cc(C(=O)N2CCO[C@@H]3CN(C(C)=O)C[C@@H]32)nn1 960405403 SPPVHNJEGAZLPB-QWHCGFSZSA-N 305.338 -0.464 30 20 DBED C#CCN1C[C@H]2[C@H](NC(=O)c3ccc(=O)n(CCOC)n3)[C@H]2C1 960935716 YZUCJXCARZHXEZ-JYAVWHMHSA-N 316.361 -0.817 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC2(CN(C(=O)c3ccn(C)n3)C2)C1 965466752 PVPGWPAEQFAYHX-NSHDSACASA-N 317.349 -0.367 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)c2cnc3n2CCC3)C1 968342744 OFOMGWDQNJCWFS-FOGDFJRCSA-N 317.349 -0.710 30 20 DBED C#CCN[C@@H]1CCN(C(=O)c2ccc(=O)n(CCOC)n2)C1 969258048 KJMJFHZVLHCDNS-GFCCVEGCSA-N 304.350 -0.673 30 20 DBED CC(=O)N1CC(C(=O)NC[C@@H]2CCCN(C(=O)[C@H](C)C#N)C2)C1 975230142 RBPOZPRTZRXHLB-YPMHNXCESA-N 320.393 -0.021 30 20 DBED C#CCN1C[C@H]2[C@H](CNC(=O)[C@H]3CCCS(=O)(=O)C3)[C@H]2C1 978830505 VCNHTZKBOPNLLX-XDQVBPFNSA-N 310.419 -0.262 30 20 DBED CC#CCN1C[C@@H]2C(CNC(=O)c3ccc(=O)n(C)n3)[C@H]2C1 979041365 AOUKIGIJPSBMDN-CHWSQXEVSA-N 300.362 -0.289 30 20 DBED C#Cc1cncc(C(=O)NC[C@H]2C[C@@H](NC(=O)C(N)=O)C2)c1 979262901 QERWMYDELBVTTR-KLPPZKSPSA-N 300.318 -0.827 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H]2C[C@H](CNC(=O)c3nc[nH]n3)C2)c1 980150229 AVNKTTLOCRMLAA-CZMCAQCFSA-N 313.321 -0.057 30 20 DBED C=CCN1C[C@@H]2CC[C@H](NC(=O)CN3C(=O)CNC3=O)C[C@H]2C1 980247622 RVSPSZULAOWVMZ-AVGNSLFASA-N 320.393 -0.059 30 20 DBED Cn1cc(C(=O)N2CC3(CCCN(CC#N)C3)C2)c(O)nc1=O 982148315 DBXKVMFNGMNVKV-UHFFFAOYSA-N 317.349 -0.453 30 20 DBED O=C1NCCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)C#CC2CC2)C1 982738779 HBTAJXISKVNEIW-UONOGXRCSA-N 317.389 -0.109 30 20 DBED N#Cc1cc(C(=O)N2C[C@H]3CCN(C(=O)C(N)=O)C[C@H]3C2)c[nH]1 985984900 WNBIOPDNHUTGHY-KOLCDFICSA-N 315.333 -0.708 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)CN2CCCC2=O)[C@H]1C 987302480 KNQUMCINXDFLQF-TUAOUCFPSA-N 306.366 -0.126 30 20 DBED C#Cc1ccccc1CC(=O)N1CC(NC(=O)c2nnn(C)n2)C1 997871317 YCKOUYSPMDGPPE-UHFFFAOYSA-N 324.344 -0.625 30 20 DBED N#CCN1CC=C(CNC(=O)c2ccc(S(N)(=O)=O)o2)CC1 1000903725 OMFBOSSWZLFARE-UHFFFAOYSA-N 324.362 -0.188 30 20 DBED Cn1nncc1C(=O)N1CC(CNC(=O)c2ccc(C#N)[nH]2)C1 1001477985 MUYVBOPIVIGNFH-UHFFFAOYSA-N 313.321 -0.483 30 20 DBED N#Cc1ccc(C(=O)NC2CCN([C@@H]3CCNC3=O)CC2)[nH]1 1002624730 CPWIJCCOVSKMHV-CYBMUJFWSA-N 301.350 -0.031 30 20 DBED C#CCN1CCC(N(C)C(=O)[C@@H]2Cc3cncn3C(=O)N2)CC1 1005756081 VYEFOFIMMXEETA-AWEZNQCLSA-N 315.377 -0.079 30 20 DBED Cn1cc(C(=O)NCC2[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]23)nn1 1009019162 STLPARRIMYTPAR-STQMWFEESA-N 313.361 -0.337 30 20 DBED CCn1nncc1C(=O)NC1[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]12 1013048383 DEJBUDMOZPQRKR-VXGBXAGGSA-N 313.361 -0.102 30 20 DBED N#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1nc2ncccn2n1 1018266893 SZYIPHRMWVZKQM-TXEJJXNPSA-N 311.349 -0.134 30 20 DBED C=C(C)CN[C@H]1CCN(C(=O)CN2CCCS2(=O)=O)C1 1018939561 MOOAZVDHRDDNNG-LBPRGKRZSA-N 301.412 -0.212 30 20 DBED C[C@@H](C#N)C(=O)N1CCCO[C@@H](CNC(=O)c2cnn(C)n2)C1 1019623404 YYRIRMDJJJFUEI-QWRGUYRKSA-N 320.353 -0.678 30 20 DBED CC(=O)N1CC(C(=O)N[C@H]2CCN(C(=O)[C@H](C)C#N)[C@H]2C)C1 1020536110 ZGKPIKYQKQENDB-NRUUGDAUSA-N 306.366 -0.270 30 20 DBED CN1CC[C@@H](N[C@H]2C[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)C1=O 1021948465 PKLVHLVFGSWBHT-GRYCIOLGSA-N 301.350 -0.033 30 20 DBED C=C(C)CN[C@H]1C[C@@H](NC(=O)CN2CCCS2(=O)=O)C1 1022167209 MZZLIWWNLQGKOQ-TXEJJXNPSA-N 301.412 -0.165 30 20 DBED C=CCN1CC[C@H](N[C@H]2C[C@@H](NC(=O)[C@H]3CCN(C)C3)C2)C1=O 1023086249 GBVFEGKPUNYNPV-XQLPTFJDSA-N 320.437 -0.038 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CN([C@H]2CCNC2=O)C1 1032047585 IFSAXMCAQKGRDR-IHRRRGAJSA-N 307.394 -0.096 30 20 DBED C#CCCN1CCO[C@H](CNC(=O)c2cc(=O)n(C)cn2)C1 1035403708 GQWYMEJAKZDJRZ-GFCCVEGCSA-N 304.350 -0.766 30 20 DBED C#CCCN1CCO[C@@H](CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 1035415576 GPVNWZJNQOTHBM-QLFBSQMISA-N 309.410 -0.454 30 20 DBED CC(C)C#CC(=O)N1CC[C@](O)(CNC(=O)c2cn(C)nn2)C1 1039616507 RUCQJEPSEPNAQT-HNNXBMFYSA-N 319.365 -0.832 30 20 DBED C=CCCCC(=O)N1CC[C@@](O)(CNC(=O)Cn2nccn2)C1 1039825550 QSEHRKHBKCUKHK-OAHLLOKOSA-N 321.381 -0.286 30 20 DBED O=C(Cn1ccnc1)NC[C@]1(O)CCN(C(=O)C#CC2CC2)C1 1040215896 YCLBRDJQBVRXGG-MRXNPFEDSA-N 316.361 -0.624 30 20 DBED C#CCN1CCC[C@]2(CCN(C(=O)c3nnc(O)nc3O)C2)C1 1040280283 CVWGASPFZXHGRO-HNNXBMFYSA-N 317.349 -0.156 30 20 DBED C[C@@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)c2ncccn2)C1 1040758600 ARDULIYIQZMEDF-IINYFYTJSA-N 303.322 -0.671 30 20 DBED Cn1cncc1C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1O 1041228235 RCHDOOVAPUNLKO-MWLCHTKSSA-N 313.321 -0.939 30 20 DBED Cc1cc(=N[C@@H]2C[C@H]3CC[C@H]2N(C(=O)C(N)=O)C3)c(C#N)c[nH]1 1041678101 DCDFYJCAFBBIAC-LERXQTSPSA-N 313.361 -0.040 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)CC2OCCCO2)C1 1042762806 DYZNENKCJDMNJD-UHFFFAOYSA-N 312.366 -0.205 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)C[C@@H]2CCCO2)C1 1043036807 RLHFIOSKELBDIC-OLZOCXBDSA-N 324.377 -0.717 30 20 DBED Cc1nccc(C(=O)NCC2(O)CN(C(=O)[C@@H](C)C#N)C2)n1 1043148829 KOLPYIWSDWMGHB-VIFPVBQESA-N 303.322 -0.752 30 20 DBED C=C(C)CCC(=O)NCC1(O)CN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1043320504 VBLWHANODFACJT-IMRBUKKESA-N 308.378 -0.075 30 20 DBED C=CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)[C@H](O)C(C)C)C1 1043571437 OYYQGOVKOMYESR-NWDGAFQWSA-N 314.382 -0.716 30 20 DBED C=CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)c2cnc(C)[nH]2)C1 1043572805 ZLCGCKNPPNRGNJ-SNVBAGLBSA-N 322.365 -0.388 30 20 DBED C[C@@H](CC(N)=O)C(=O)NCC1(O)CN(C(=O)C#CC(C)(C)C)C1 1044437106 ZNMHQIDNXBJNLD-NSHDSACASA-N 323.393 -0.763 30 20 DBED COc1ccc(C(=O)N2CC(O)(CNC(=O)[C@@H](C)C#N)C2)o1 1045546243 JWXMTTPCCBQCNK-VIFPVBQESA-N 307.306 -0.249 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CN3CCC2CC3)C1 1047384360 YFXRUHYVNCNCFR-PMPSAXMXSA-N 305.422 -0.145 30 20 DBED COc1c[nH]c(C(=O)N(C)[C@H]2CN(CC#N)C[C@@H]2O)cc1=O 1047458620 WYDGSWCIRJGKSL-JQWIXIFHSA-N 306.322 -0.976 30 20 DBED C=CCCC(=O)N(C)[C@H]1CN(C(=O)Cc2n[nH]c(C)n2)C[C@@H]1O 1048524228 ZLAYUWAGXQSBSR-RYUDHWBXSA-N 321.381 -0.348 30 20 DBED C=CCCC(=O)N(C)[C@H]1CN(C(=O)Cc2nc[nH]n2)C[C@@H]1O 1048527570 JGEYRDWPKQCSQV-QWRGUYRKSA-N 307.354 -0.657 30 20 DBED C[C@@H](NC(=O)C(N)=O)[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 1050485039 VRUXZETZQCUORX-BDAKNGLRSA-N 303.322 -0.662 30 20 DBED CC#CCN1CCC2(CC1)CN(C(=O)C[C@@H]1NC(=O)NC1=O)C2 1050549765 CFIFHCSFPLYVKY-LBPRGKRZSA-N 318.377 -0.468 30 20 DBED N#CCN1CCOC[C@H]1CNC(=O)[C@H]1CCc2ncncc2C1 1050952625 RPYLQHFLGYYHAZ-GXTWGEPZSA-N 315.377 -0.078 30 20 DBED C#CCN1CCN([C@H]2CCN(C(=O)c3ccnn3C)C2)CC1 1051996866 WSKCSJHOUARMPD-AWEZNQCLSA-N 301.394 -0.115 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](N2CCN(Cc3cnon3)CC2)C1 1051998390 SHMVJQCBFCDJFE-OCCSQVGLSA-N 318.381 -0.052 30 20 DBED C[C@@H]1CN(C(=O)CSCC#N)C[C@@H]1CNC(=O)c1cnn[nH]1 1052045323 QLOPBVRRKOZJQK-ZJUUUORDSA-N 322.394 -0.114 30 20 DBED C[C@@H](C(N)=O)N1CC2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1053209018 JGXVSZPIZXDVIU-JTQLQIEISA-N 317.349 -0.713 30 20 DBED CC(=O)N1CC[C@@H](C(=O)NC[C@H]2CCC3(CN(CC#N)C3)O2)C1 1053689920 FNTMFTOACGSHMV-ZIAGYGMSSA-N 320.393 -0.272 30 20 DBED CN1CC[C@H](C(=O)N[C@H]2COC3(C2)CN(CC#N)C3)CC1=O 1053849785 UQMNLPRSJKPPHY-NWDGAFQWSA-N 306.366 -0.662 30 20 DBED Cc1nonc1CC(=O)N1CCN(c2cncc(C#N)n2)CC1 1055892801 VEZJSSVXLZEFET-UHFFFAOYSA-N 313.321 -0.069 30 20 DBED C=CCCC(=O)N1CCC[C@@](CO)(NC(=O)[C@@H]2CCNC2=O)C1 1056037226 YRVNCMHEAJUPIU-MLGOLLRUSA-N 323.393 -0.442 30 20 DBED C=C[C@](C)(CC)C(=O)N1CCC[C@](CO)(NC(=O)C(N)=O)C1 1056087783 KDDALHJICWCMBV-CABCVRRESA-N 311.382 -0.456 30 20 DBED CC(C)C#CC(=O)N1CC[C@@H]2[C@H]1CCCN2C(=O)CNC(N)=O 1056220781 NSFYVJUNCNOCOT-CHWSQXEVSA-N 320.393 -0.094 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)[C@H](CC)OCC 1057193943 VADVNYIINBXTND-ZDUSSCGKSA-N 316.398 -0.059 30 20 DBED Cc1ncoc1C(=O)N(CCO)CCNC(=O)C#CC1CC1 1057282071 VHQZMGINRFUOIK-UHFFFAOYSA-N 305.334 -0.053 30 20 DBED C=C1CC(C)(C(=O)NCCN(CCO)C(=O)CC(=O)NC)C1 1057411242 GOGSMXDLIWQAHF-UHFFFAOYSA-N 311.382 -0.584 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)[C@@]1(C)CCNC1=O 1057524454 GGDRSQZYDSMHLX-INIZCTEOSA-N 323.393 -0.891 30 20 DBED Cn1nnc(C(=O)N2CCC[C@@H](Nc3cncc(C#N)n3)C2)n1 1057738717 UXFXMBBVDNWRQN-SECBINFHSA-N 313.325 -0.412 30 20 DBED Cn1nnc(C(=O)NC2CCN(c3ccncc3C#N)CC2)n1 1057927977 ZXTLBOSHCYXDAW-UHFFFAOYSA-N 312.337 -0.124 30 20 DBED N#Cc1nccc(N2CCC[C@@H](NC(=O)[C@H]3CCNC3=O)C2)n1 1058220974 QOSBTSIERIYXRB-MNOVXSKESA-N 314.349 -0.431 30 20 DBED CC#CCCCC(=O)NCCN(CCO)C(=O)[C@@H]1CCNC1=O 1058297075 XOGHHNYNGXJGKC-CYBMUJFWSA-N 323.393 -0.747 30 20 DBED CN1CCOC[C@H]1C(=O)N[C@H]1CCN(c2ccc(C#N)nc2)C1 1058318892 IHANBZWMYRGXGS-ZFWWWQNUSA-N 315.377 -0.021 30 20 DBED N#Cc1cnc(N2CC[C@H](NC(=O)C[C@@H]3COC(=O)C3)C2)cn1 1058339571 VTHFXKVMAZZPLA-QWRGUYRKSA-N 315.333 -0.004 30 20 DBED C#CCCCCC(=O)NCCN(CCO)C(=O)c1nc[nH]n1 1058378936 SZTZEZKEAGXRQZ-UHFFFAOYSA-N 307.354 -0.451 30 20 DBED C=C(C)C(C)(C)C(=O)NCCN(CCO)C(=O)c1nnn(C)n1 1058421864 KGVWLDRXQXERJG-UHFFFAOYSA-N 324.385 -0.637 30 20 DBED CCn1ccnc1C(=O)NCCN(CCO)C(=O)[C@H](C)C#N 1058653002 JXDHSKHERQHDSP-LLVKDONJSA-N 307.354 -0.387 30 20 DBED CCn1cc(C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N)nn1 1058655150 RUOULXQZNNXOAN-JTQLQIEISA-N 308.342 -0.992 30 20 DBED C=CC(C)(C)C(=O)NCCN(CCO)C(=O)CCc1cnn[nH]1 1058872057 XUHTZKVIRZNKHW-UHFFFAOYSA-N 323.397 -0.113 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(CCO)CCNC(=O)c1cn[nH]c1 1058874388 VFKFSVZBLVRVRT-OLZOCXBDSA-N 322.365 -0.449 30 20 DBED CN1C[C@@H](C(=O)N2CC[C@H](Nc3ccc(C#N)nc3)C2)NC1=O 1059023142 OSMTWTVLAFPOHR-STQMWFEESA-N 314.349 -0.010 30 20 DBED C=CCCC(=O)NCC[C@H]1CCN(C(=O)Cn2cnnn2)C1 1059129845 ROUYQXOKIVEIHZ-LBPRGKRZSA-N 306.370 -0.006 30 20 DBED N#Cc1ccc(N[C@H]2C[C@H](NC(=O)[C@H]3CCCNC3=O)C2)nn1 1059325779 YSPSPHXHVDWVOO-SRVKXCTJSA-N 314.349 -0.066 30 20 DBED N#Cc1cncc(NC[C@H]2CCN(C(=O)[C@@H]3CCNC3=O)C2)n1 1060952939 LNUJFSMKVAKVHX-ZYHUDNBSSA-N 314.349 -0.255 30 20 DBED CC(C)C#CC(=O)N1CCOC[C@H]1CNC(=O)[C@H]1CCC(=O)N1 1061416560 MFLCGFBVFCNPIO-CHWSQXEVSA-N 321.377 -0.732 30 20 DBED C#CCCCC(=O)N1CCOC[C@H]1CNC(=O)CCCC(N)=O 1061683565 FWDSOMUGOGQVFH-CYBMUJFWSA-N 323.393 -0.211 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)CCCN(C)C 1061846755 GSGPZWZVILOTBK-CHWSQXEVSA-N 310.398 -0.169 30 20 DBED Cn1nncc1C(=O)N1C[C@@H]2CC[C@H](C1)N2c1cnc(C#N)cn1 1061959266 WKWWMWOGKFKWCE-TXEJJXNPSA-N 324.348 -0.030 30 20 DBED Cn1ncc(C(=O)NCC2(NC(=O)C#CC3CC3)CCC2)n1 1063638459 BBQPBWHBTKUHOI-UHFFFAOYSA-N 301.350 -0.003 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)C2CC(=O)NC(=O)C2)CCC1 1063639610 UCURDZPGMQZZSJ-SECBINFHSA-N 320.349 -0.646 30 20 DBED C[C@H](N=c1cc[nH]c(C#N)n1)[C@H]1CCCN(C(=O)CC(N)=O)C1 1063874808 NPUSJJBCQXJLGL-QWRGUYRKSA-N 316.365 -0.315 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CN(C(=O)c2cnn(C)c2)CCO1 1064842496 FRGJEKIHYXZVRR-CMPLNLGQSA-N 305.338 -0.463 30 20 DBED CCOCC(=O)NC[C@@H]1CN(C(=O)CSCC#N)CCO1 1064881151 OOCTTZRHKGDVBF-LLVKDONJSA-N 315.395 -0.377 30 20 DBED C#CCOCCC(=O)N1CCO[C@H](CNC(=O)COCC)C1 1065150619 SCOXBHJZWBBUGA-CYBMUJFWSA-N 312.366 -0.594 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)c2cnon2)CCO1 1065506565 FCEXKJXGSXKOCG-LLVKDONJSA-N 306.322 -0.314 30 20 DBED CCCC(=O)NCC(=O)NC[C@H]1CN(C(=O)[C@H](C)C#N)CCO1 1065557199 ODMURGSTZIYDCU-NEPJUHHUSA-N 324.381 -0.594 30 20 DBED N#Cc1cnc(N[C@@]2(CO)CCCN(C(=O)C(N)=O)C2)c(F)c1 1066920495 SKTDOYNLSNTVJK-AWEZNQCLSA-N 321.312 -0.657 30 20 DBED N#Cc1nc(=NCC2CC(NC(=O)[C@H]3COC(=O)N3)C2)cc[nH]1 1067846064 TXEJBSVCCLGFTB-UDNWOFFPSA-N 316.321 -0.815 30 20 DBED C[C@@H]1C[C@H](Nc2ccc(C#N)nn2)CN1C(=O)CS(C)(=O)=O 1069042154 RXXYWJXDTBVORT-KOLCDFICSA-N 323.378 -0.206 30 20 DBED C=CCCC(=O)NC1(CNC(=O)[C@H]2CCNC2=O)CCOCC1 1070033523 VQNHNNHQSFRBGH-LBPRGKRZSA-N 323.393 -0.130 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCC[C@@H](NC(=O)c2cn(C)nn2)C1 1070667644 MQKGIJAZFAQRKR-ABAIWWIYSA-N 321.381 -0.137 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC[C@@H](NC(=O)c2nc[nH]n2)C1 1070730306 BTGMERFXVCETCZ-GHMZBOCLSA-N 305.338 -0.436 30 20 DBED C=CCCCC(=O)N1C[C@@H](NC(=O)Cn2cnnn2)[C@H](C)C1 1072629451 IRVMLKYRIGOWQK-VXGBXAGGSA-N 306.370 -0.008 30 20 DBED CC1(NC(=O)C#CC2CC2)CCN(C(=O)CNC(N)=O)CC1 1072862564 KHCUTJFXGIBQOP-UHFFFAOYSA-N 306.366 -0.435 30 20 DBED C#CCCCC(=O)N1CC[C@H](NC(=O)CNC(N)=O)[C@@H](C)C1 1073704541 JFUGATCWQBVFSU-RYUDHWBXSA-N 308.382 -0.189 30 20 DBED C=CCN1CCO[C@@H]2CCN(C(=O)CS(C)(=O)=O)C[C@@H]21 1074176814 APJSINQRFHXZJY-NWDGAFQWSA-N 302.396 -0.481 30 20 DBED C=C(C)CN1CCO[C@H]2CCN(C(=O)Cn3ncnn3)C[C@@H]21 1074241162 CWACDLSCVGFHON-STQMWFEESA-N 306.370 -0.449 30 20 DBED CC#CCN1CCO[C@H]2CCN(C(=O)C3(C(N)=O)CC3)C[C@@H]21 1074327375 SWEWKGWWUFOORG-STQMWFEESA-N 305.378 -0.423 30 20 DBED N#CCSCC(=O)NCC1(O)CCN(C(=O)C(F)F)CC1 1074391389 GQJLGOWVANEJOW-UHFFFAOYSA-N 321.349 -0.022 30 20 DBED C[C@H](C#N)C(=O)N1CCC(O)(CNC(=O)c2ncc[nH]2)CC1 1074705212 ORURCAIVQNYFRW-SNVBAGLBSA-N 305.338 -0.347 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CCN(C(=O)CCN(C)C)CC1 1074713403 UCJCILQINKSLEN-GFCCVEGCSA-N 310.398 -0.433 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(C(=O)c2nnn(C)n2)[C@@H](C)C1 1074882462 WTCNEDMRGPXEKF-QWRGUYRKSA-N 322.369 -0.478 30 20 DBED C=CCCC(=O)NCC[C@H](C)NC(=O)CN1CCC(=O)NC1=O 1075883634 MRXDRLYSANUBNP-NSHDSACASA-N 324.381 -0.095 30 20 DBED C#CCCN1C[C@@H]2CCN(C(=O)c3cn(C)c(=O)nc3O)[C@@H]2C1 1076566057 ILQKKMVRLONNCU-WCQYABFASA-N 316.361 -0.345 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)[C@H]2CCC(=O)N2)C1 1079486747 IYEVTMOKJLFRLE-WCQYABFASA-N 321.377 -0.637 30 20 DBED C=CCO[C@@H](C)C(=O)NC1(CO)CCN(C(=O)COC)CC1 1080895570 RXALDHRJDXQGMW-LBPRGKRZSA-N 314.382 -0.306 30 20 DBED C#CCN1CCC(C(=O)N2C[C@H](CNC(=O)CC)[C@@H](O)C2)CC1 1081145013 VMRQSVUKHYPVTH-GJZGRUSLSA-N 321.421 -0.323 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CCOCC)C1 1081338861 XGYSBOSOIVQYHD-QWHCGFSZSA-N 314.382 -0.449 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2cnco2)C[C@H]1O 1081346934 ORMCIYHCYUSPMA-GHMZBOCLSA-N 309.322 -0.574 30 20 DBED C#CCCN1C[C@@H](NC(=O)c2cc(C(N)=O)cn2C)[C@H](OC)C1 1081902299 OHUYHPIXDVYDEA-TZMCWYRMSA-N 318.377 -0.424 30 20 DBED CN1C(=O)Cc2ccc(C(=O)N[C@@H]3CN(CC#N)C[C@@H]3O)cc21 1083609624 GIBSPZXZASNTHO-OCCSQVGLSA-N 314.345 -0.496 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCc3nnn(C)c3C2)C1 1083729754 CWXYHFUSYLBHLS-KYOSRNDESA-N 319.409 -0.343 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2cccc(NC(=O)NC)c2)C1 1083954682 COBBRNLIMPPZLA-KGLIPLIRSA-N 316.361 -0.154 30 20 DBED C=CCOc1ccc(CC(=O)N[C@@H]2CN(CCO)C[C@@H]2O)cc1 1084098368 DIICOWWRVHMDOY-CVEARBPZSA-N 320.389 -0.053 30 20 DBED C#CCCN1CC[C@@H]2CN(C(=O)C[C@@H]3NC(=O)NC3=O)C[C@@H]2C1 1087997774 YQPIXGIZLZYAAR-AGIUHOORSA-N 318.377 -0.612 30 20 DBED CNC(=O)CC(=O)N[C@@H](C)CCCCN=c1cc[nH]c(C#N)n1 1090079773 MIMOCMAHWYHKKQ-NSHDSACASA-N 318.381 -0.007 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(c2ccnc(C)n2)C[C@H]1O 1090488955 UFZXDGJPFWKFOO-CYZMBNFOSA-N 304.350 -0.511 30 20 DBED C#CCN1CC[C@H](NC(=O)c2c3c(nn2C)CCC3)[C@@H](O)C1 1090724317 IKCDZCZLKVHCAY-KBPBESRZSA-N 302.378 -0.293 30 20 DBED N#Cc1ccc(NC2CC(CNC(=O)Cn3nccn3)C2)nn1 1092243069 AFFAIQHQRGFULL-UHFFFAOYSA-N 312.337 -0.053 30 20 DBED CC(=O)N1CCOC[C@H]1C(=O)N1C[C@H]2CN(CC#N)C[C@@]2(C)C1 1092287648 GGVCLODXPADUKA-YCPHGPKFSA-N 320.393 -0.462 30 20 DBED C#CCN1CC(OC2CCN(C(=O)Cc3n[nH]c(C)n3)CC2)C1 1093534535 XZWODZXTGKJVDS-UHFFFAOYSA-N 317.393 -0.019 30 20 DBED C#CCCN1CC(OC2CCN(C(=O)[C@H]3CCNC3=O)CC2)C1 1093559006 HKYPSPZWBOOVRO-HNNXBMFYSA-N 319.405 -0.162 30 20 DBED N#Cc1cncc(NCCNC(=O)[C@@H]2CCc3nncn3C2)n1 1093670024 MOLINIWXAHESSF-SNVBAGLBSA-N 312.337 -0.270 30 20 DBED CCN(CC)C[C@@H](F)C(=O)NCCN=c1cc[nH]c(C#N)n1 1093909170 KZMAYVJRHFYNBD-LLVKDONJSA-N 308.361 -0.022 30 20 DBED N#Cc1ccc(N2CCC(NC(=O)CNC(N)=O)CC2)cn1 1095388718 OXSCQABPYDLJPS-UHFFFAOYSA-N 302.338 -0.293 30 20 DBED C[C@H](NC(N)=O)C(=O)NC1CCN(c2ccnc(C#N)n2)CC1 1095409085 WFBUHDVPCAVRMV-VIFPVBQESA-N 317.353 -0.510 30 20 DBED CN(CCCNC(=O)Cn1nccn1)c1cncc(C#N)n1 1095653815 NXDQWDATZMXCTG-UHFFFAOYSA-N 300.326 -0.418 30 20 DBED N#Cc1cnc(N2CC[C@H](NC(=O)CCc3nc[nH]n3)C2)cn1 1096366845 JKEUQEOLPCEHBZ-JTQLQIEISA-N 312.337 -0.206 30 20 DBED N#Cc1cncc(N2CC[C@H](NC(=O)C3(C(N)=O)CC3)C2)n1 1096477313 XCRXMZSBTSPVSF-VIFPVBQESA-N 300.322 -0.691 30 20 DBED N#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cn1ccc(O)nc1=O 1097458931 MMSGNSIPPOFFHI-MXWKQRLJSA-N 303.322 -0.806 30 20 DBED C[C@@H](CNC(=O)C[C@@H]1CCC(=O)NC1)N=c1cc[nH]c(C#N)n1 1098096543 XGBQQXXIYCYGLL-QWRGUYRKSA-N 316.365 -0.397 30 20 DBED Cc1nn(C)cc1CC(=O)NC[C@@H](C)N=c1cc[nH]c(C#N)n1 1098352674 RURPYIGSOIHUMY-SNVBAGLBSA-N 313.365 -0.029 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)CSC)[C@@H](O)C1 1099651140 PTJQHGFRKMKCCI-QWRGUYRKSA-N 301.412 -0.797 30 20 DBED Cc1[nH]ccc1C(=O)N[C@H]1CCN(CC(=O)NCC#N)C[C@@H]1O 1099760332 HMRFXYFWGXZAMO-STQMWFEESA-N 319.365 -0.872 30 20 DBED C#CCCCC(=O)N[C@H]1CCN(CCN2CCCC2=O)C[C@H]1O 1099805291 ZMBIYPNVQSBVLD-LSDHHAIUSA-N 321.421 -0.036 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)C2(CC)CCC2)[C@@H](O)C1 1099952369 SMFVIPCXMGPCJJ-KBPBESRZSA-N 321.421 -0.133 30 20 DBED C=CCCN1CC[C@H](NC(=O)COc2cnn(C)c2)[C@@H](O)C1 1099971443 IBUUISNHCKNWDR-KBPBESRZSA-N 308.382 -0.074 30 20 DBED CC(C)NC(=O)CCCC(=O)N[C@H]1CCN(CC#N)C[C@H]1O 1100079230 WHTZMKVZPFWBRY-QWHCGFSZSA-N 310.398 -0.244 30 20 DBED C#CCNC(=O)CC(=O)NCC1CC(NC[C@@H]2CCOC2)C1 1100264092 XTHPGZZRWJYKSV-HSBZDZAISA-N 307.394 -0.353 30 20 DBED C=CCNC(=O)CNC1CC(CNC(=O)[C@]2(C)CNC(=O)C2)C1 1100528662 MOWUBQPNCYIVHA-PPUFBPAQSA-N 322.409 -0.701 30 20 DBED CC#CCN1C[C@@H](C)[C@H](CNC(=O)Cn2ccc(O)nc2=O)C1 1102128068 AYFFILXOFYWWHO-CHWSQXEVSA-N 318.377 -0.344 30 20 DBED CNC(=O)CC(=O)N1CC[C@H](CN(C)c2cnc(C#N)cn2)C1 1102439818 NISWKVIWDCEIOP-LLVKDONJSA-N 316.365 -0.231 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@H](C)OC)C1 1102726229 UWQUKDGEEFBCHX-HZSPNIEDSA-N 309.410 -0.155 30 20 DBED CCc1nc(C#N)cc(N2CC[C@H](N(CC)C(=O)C(N)=O)C2)n1 1102833383 JKIXJWBCBFJZGB-NSHDSACASA-N 316.365 -0.177 30 20 DBED CC[C@@H](CNC(=O)c1cnn(C)n1)N=c1cc[nH]c(C#N)n1 1103131899 FHVMLWRFPZXYIV-VIFPVBQESA-N 300.326 -0.481 30 20 DBED C[C@H](CNC(=O)C[C@H](C)NC(N)=O)CNc1ccc(C#N)nn1 1104098890 GGINYCOSYRFBID-UWVGGRQHSA-N 319.369 -0.041 30 20 DBED C[C@@H](CNc1cnc(C#N)cn1)N(C)C(=O)CCNC(N)=O 1104565566 TZFIVDQZOWLOKL-VIFPVBQESA-N 305.342 -0.335 30 20 DBED C#CCNCc1cn(C2CN(C(=O)CNC(=O)CCC)C2)nn1 1105178735 NTMOPOKQAQWHLZ-UHFFFAOYSA-N 318.381 -0.700 30 20 DBED N#CCNCc1cn(C2CN(C(=O)Cc3cncnc3)C2)nn1 1105223668 CWWILMHHMKIAQE-UHFFFAOYSA-N 312.337 -0.693 30 20 DBED N#Cc1nccnc1NC[C@H]1CCC[C@@H]1NC(=O)CC(N)=O 1105652261 QNAYZMRBZWHWFH-ZJUUUORDSA-N 302.338 -0.080 30 20 DBED N#Cc1nccnc1NC[C@H](O)CNC(=O)CCc1ncc[nH]1 1105804466 RTIKWJNQRDSZON-SNVBAGLBSA-N 315.337 -0.407 30 20 DBED CCOC1CC(C(=O)NC[C@H](O)CN=c2cc[nH]c(C#N)n2)C1 1105812717 FMPWXTYBJYWAFM-MOENNCHZSA-N 319.365 -0.526 30 20 DBED Cc1cn(C)nc1C(=O)NC[C@H](O)CNc1cncc(C#N)n1 1105818977 SEUAPCXGPWGSMR-LLVKDONJSA-N 315.337 -0.407 30 20 DBED Cc1nccn1CC(=O)NC[C@@H](O)CNc1nccnc1C#N 1105866923 MVIVYSWGHBZSOL-LLVKDONJSA-N 315.337 -0.558 30 20 DBED C#Cc1ccc(C(=O)NC[C@H](O)CN=c2cc[nH]c(C#N)n2)cn1 1105910580 XYADHVJLESKNFA-CYBMUJFWSA-N 322.328 -0.651 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)C[C@@H]2CCNC2=O)cn1 1106002497 ITHTVICXLPQTFO-GXFFZTMASA-N 317.349 -0.632 30 20 DBED C[C@@H]1CN(C(=O)Cc2ncc[nH]2)C[C@H]1CNCC(=O)NCC#N 1106799747 OSOXJLKYIXRBBA-VXGBXAGGSA-N 318.381 -0.724 30 20 DBED CN1CCO[C@@H](C(=O)NC/C=C/CN=c2cc[nH]cc2C#N)C1 1107094214 XCDSNDRRXHUYQQ-XYBNCVKDSA-N 315.377 -0.210 30 20 DBED CN1CC[C@H](C(=O)NC/C=C/CN=c2cc[nH]c(C#N)n2)C1 1107200845 VMHCZTDLXDYGHZ-JDGPPOGSSA-N 300.366 -0.194 30 20 DBED C[C@H](CNc1ncnc2c1nnn2C)NC(=O)CSCC#N 1107626721 DNLZKNMLAFJHAY-MRVPVSSYSA-N 320.382 -0.068 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@]1(C)CN(CC(=O)NC)CCO1 1107903311 UECLSTMZGHKVDW-HUUCEWRRSA-N 313.398 -0.733 30 20 DBED C[C@]1(CNC(=O)c2cc3n(n2)CCO3)CN(CC#N)CCO1 1107999960 LZBFVZZTINBZMP-AWEZNQCLSA-N 305.338 -0.380 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)c2cn3c(n2)COCC3)C1 1108027385 UFUGSCNCXADARU-MRXNPFEDSA-N 318.377 -0.133 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)[C@H]2CCCN(C(N)=O)C2)C1 1108057584 ILBBDRCLWJFYJQ-BBRMVZONSA-N 322.409 -0.383 30 20 DBED C#CCC1(C(=O)N[C@@H]2CC(=O)N(C3CN(CCO)C3)C2)CCC1 1108552353 JYNWIMCPRGPHAS-CYBMUJFWSA-N 319.405 -0.426 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)[C@H](C3CC3)N(C)C)CC2=O)C1 1108552567 PAZSKVGJSBRHKN-BBRMVZONSA-N 318.421 -0.639 30 20 DBED CCN(CC)CC(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1 1108580295 FPFPNJIXNCMWFG-LBPRGKRZSA-N 307.398 -0.747 30 20 DBED C[C@@H](CNc1cnc(C#N)cn1)NC(=O)[C@H]1CCS(=O)(=O)C1 1108603997 BARXLASAWHKIHY-UWVGGRQHSA-N 323.378 -0.300 30 20 DBED CNC(=O)NCCC(=O)N[C@@H](C)CN(C)c1cnc(C#N)cn1 1108933615 RDVDBMCMVFEFRF-JTQLQIEISA-N 319.369 -0.392 30 20 DBED C#CCOCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCOCCO 1109270484 JCRAAKDCNJBGMY-ILXRZTDVSA-N 310.394 -0.243 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H](C)CC(N)=O 1109599927 ZZDYDDIVRYOQGY-CRWXNKLISA-N 307.394 -0.131 30 20 DBED N#Cc1cnc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)CCn2ccnn2)cn1 1109697473 JNIHLSYYVIMQTO-GMXABZIVSA-N 324.348 -0.277 30 20 DBED N#Cc1ccc(NC[C@@H](NC(=O)Cn2cnnn2)C2CC2)nn1 1109776038 ZEHOUQJKPADDGC-LLVKDONJSA-N 313.325 -0.658 30 20 DBED COC[C@H](C)C(=O)NC[C@]1(O)CCN(c2ccc(C#N)nn2)C1 1111043489 GLLGPKNNQFYWSV-XHDPSFHLSA-N 319.365 -0.312 30 20 DBED CO[C@@H](C)C(=O)N(C)[C@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1111171358 ZVTMNSKLGNROIW-DCAQKATOSA-N 305.338 -0.609 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)[C@H]1CN(c2nc(C)ns2)C[C@@H]1O 1111190507 FKIHQKOLBINRNI-DLOVCJGASA-N 324.406 -0.107 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)CNC(=O)NC)C[C@H](C)O2 1111545435 GOIIASSLUKFUDH-ZDUSSCGKSA-N 322.409 -0.370 30 20 DBED C#CCNC[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CC(=O)NC(=O)N1)C2 1112537065 OBPHKJRRLOHJDW-MKBNYLNASA-N 318.377 -0.564 30 20 DBED CO[C@H](C)C(=O)NC1(CO)CCN(c2nccnc2C#N)CC1 1112651162 CYNOUZLNNFUVEW-LLVKDONJSA-N 319.365 -0.169 30 20 DBED C[C@H](N=c1cc[nH]c(C#N)n1)[C@H](C)NC(=O)Cn1nccn1 1113172385 CDKCDQBUEXAOER-UWVGGRQHSA-N 300.326 -0.633 30 20 DBED C=C(C)CN1CCN(C(=O)CN(C)S(=O)(=O)CC)CC1 1113482795 BLVVAPYSFVFVPO-UHFFFAOYSA-N 303.428 -0.012 30 20 DBED C=C(C)CCN1CCN(C(=O)CS(=O)(=O)N(C)C)CC1 1113596489 MLMBAUDLMKUVJX-UHFFFAOYSA-N 303.428 -0.012 30 20 DBED CS(=O)(=O)CCN1C[C@H]2[C@H](NC(=O)CSCC#N)[C@H]2C1 1113891916 ZSBVCRDJOOUJPY-IAZYJMLFSA-N 317.436 -0.666 30 20 DBED C[C@H]1CCN(c2ccc(C#N)cn2)C[C@@H]1NC(=O)CNC(N)=O 1113997772 OALAESDSPDQBDO-JQWIXIFHSA-N 316.365 -0.047 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)[C@]3(C)CCNC(=O)C3)[C@@H]2C1 1114455580 FVJPBODLAPADFW-PBFPGSCMSA-N 319.405 -0.401 30 20 DBED C=CCCOCC(=O)N[C@H]1[C@@H]2CN(Cc3cnnn3C)C[C@@H]21 1115324303 NZAJHJFVTGVJMJ-NHAGDIPZSA-N 305.382 -0.046 30 20 DBED C[C@H](CN1CCN(C)CC1)NC(=O)NC1CCN(CC#N)CC1 1116005564 HYHPBKRIGLGQMU-CQSZACIVSA-N 322.457 -0.091 30 20 DBED C=CCn1cc(CNC(=O)C(=O)NCCOC2CCC2)nn1 1118112089 FWFJAPODZKLIQM-UHFFFAOYSA-N 307.354 -0.234 30 20 DBED C[C@@H](CN(C)C(=O)[C@H]1CCNC1=O)Nc1cncc(C#N)n1 1120408167 LLKSSDGHENAVMF-ONGXEEELSA-N 302.338 -0.257 30 20 DBED Cc1ccc(C(=O)NC[C@@H](CO)N=c2cc[nH]c(C#N)n2)n1C 1121049477 FDJVNMBZCIJBMK-NSHDSACASA-N 314.349 -0.380 30 20 DBED Cn1cc(C(=O)NC[C@H](CO)Nc2ccc(C#N)nc2)nn1 1121432360 LWLGVSILGVJAAT-LLVKDONJSA-N 301.310 -0.715 30 20 DBED COC1CC(C(=O)NC[C@H](CO)Nc2cncc(C#N)n2)C1 1122176800 BOMWPDWHOFEUEJ-CKBZRRDASA-N 305.338 -0.338 30 20 DBED CNC(=O)CC(=O)N1C[C@H](Nc2cncc(C#N)n2)C[C@@H]1C 1123202181 IHHWTNSZVOTOSG-VHSXEESVSA-N 302.338 -0.114 30 20 DBED CNC(=O)CC(=O)N1C[C@H](Nc2cnc(C#N)cn2)C[C@H]1C 1123203800 RHGGZPUTQSTHHR-NXEZZACHSA-N 302.338 -0.114 30 20 DBED C#CCNC(=O)CC(=O)NCCNCc1nnc(C(C)(C)C)o1 1125998619 RNBSBJHAQDZWCM-UHFFFAOYSA-N 321.381 -0.288 30 20 DBED COc1ccc(C#N)cc1CNCCNC(=O)[C@H]1COC(=O)N1 1126549100 XHZVJKSWFRPFJF-GFCCVEGCSA-N 318.333 -0.119 30 20 DBED COCC#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)C2CC2)C1 1128612412 HHJVJOLXCMMIBC-KGLIPLIRSA-N 303.366 -0.321 30 20 DBED CC[C@H](C(=O)NCCNCC(=O)N(CC)CCC#N)N(C)C 1130197894 QHMUZMLGGSQLKK-CYBMUJFWSA-N 311.430 -0.205 30 20 DBED CC(C)[C@@H](O)C(=O)NCc1nc([C@H]2COCCN2CC#N)n[nH]1 1130843143 SBHQPFBYRMAJQJ-ZYHUDNBSSA-N 322.369 -0.665 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@@H]1Cc2ccccc2O1 1131021700 KTNJMSSKBTWTSI-AWEZNQCLSA-N 301.346 -0.555 30 20 DBED COCC#CCNCCNC(=O)Cn1ncc2cccnc21 1131497241 SRAXWYJWMGHNFO-UHFFFAOYSA-N 301.350 -0.213 30 20 DBED C#CCCN1CC[C@]2(C1)CN(C(=O)CC(=O)NC)C[C@H](C)O2 1131653969 WEZDATANRKEYFO-BBRMVZONSA-N 307.394 -0.162 30 20 DBED C#CCNC(=O)CN1C[C@H](NC(=O)c2nonc2C)CC[C@H]1C 1132537723 QDTRPYNZAIOMLN-ZYHUDNBSSA-N 319.365 -0.290 30 20 DBED Cc1nccn1CC(=O)N[C@@H](C)C[C@@H](C)NCC(=O)NCC#N 1146334683 ZOVGXEZLIYDEDP-NEPJUHHUSA-N 320.397 -0.296 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)C(=O)N1CCC[C@@H]1CC 1147022845 SSPSBIMMSWWTSU-STQMWFEESA-N 322.409 -0.769 30 20 DBED CC#CCN1CCC2(C1)CN(C(=O)[C@@H](C)NC(=O)COC)C2 1147611600 ZWOCXQOLCSYHBN-CYBMUJFWSA-N 307.394 -0.305 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)[C@@H](CCC)NC(N)=O 1149103950 LMFNYYLSTMBHMV-WDEREUQCSA-N 313.402 -0.780 30 20 DBED C=CCOCCN1CCCO[C@H](CNC(=O)c2nnn(C)n2)C1 1150090099 BEPORFQBBBRJJV-GFCCVEGCSA-N 324.385 -0.767 30 20 DBED C#CCNC(=O)CNCCNC(=O)COc1cccc(F)c1 1150903282 RNKMXRAEHAJUGO-UHFFFAOYSA-N 307.325 -0.340 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@@H]1CCCN1C(=O)C(C)C 1151455112 DRUWMICPOAXTRS-ZDUSSCGKSA-N 322.409 -0.911 30 20 DBED C=CCCOCC(=O)NCCNC[C@@H](O)CO[C@@H](C)COC 1153086067 QJLUKFAGHVAJAM-UONOGXRCSA-N 318.414 -0.303 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H](NC(C)=O)C(C)(C)C 1153719187 ARFJKTZCWVDGJZ-DGCLKSJQSA-N 324.425 -0.619 30 20 DBED CCN(CCC#N)C(=O)CNCCCNC(=O)[C@H]1CCOC1 1155439143 KCJSZMSPQPGXFV-ZDUSSCGKSA-N 310.398 -0.119 30 20 DBED C[C@@H](NCCCNC(=O)c1c[nH]c(C#N)c1)C(=O)NC(N)=O 1156852631 HXWJFBDHENXNBA-MRVPVSSYSA-N 306.326 -0.821 30 20 DBED C#CCNC(=O)CNCCCNC(=O)CCc1nc(C)no1 1163629042 WARKUSZNIBJTQN-UHFFFAOYSA-N 307.354 -0.844 30 20 DBED N#CCNC(=O)CNCCCNC(=O)c1cnn2cccnc12 1163723158 LXXUQYSUSSVEDV-UHFFFAOYSA-N 315.337 -0.921 30 20 DBED N#CCNC(=O)CNCCCNC(=O)CCc1cncs1 1166751758 VSNYPEUHFQOUHT-UHFFFAOYSA-N 309.395 -0.189 30 20 DBED C#CCCN1CCO[C@@H]2CCN(C(=O)CN(C)C(C)=O)C[C@@H]21 1176930237 QQQTUGZYBWJPPJ-LSDHHAIUSA-N 307.394 -0.210 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@@H]1CCC(=O)N(C)C1 1177008134 VRPOZCXDQFMJEM-GFCCVEGCSA-N 310.398 -0.747 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)C(=O)NCC(F)F)C[C@@H]21 1177042698 RCWVUXHMSJZKGA-QWRGUYRKSA-N 315.320 -0.697 30 20 DBED C#CCNC[C@@H]1C[C@H]2CC[C@H]1N(C(=O)CS(=O)(=O)NC)C2 1177946530 GFRQBTSGJUTJQF-FRRDWIJNSA-N 313.423 -0.615 30 20 DBED C#CCCN[C@H]1CCN(C(=O)CS(=O)(=O)N(C)C)[C@H]1C 1180037272 KKHNSMGZVQMDQJ-RYUDHWBXSA-N 301.412 -0.520 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2ncoc2C)C1 1181347710 KQAFMCICUNCDRH-CMPLNLGQSA-N 304.350 -0.075 30 20 DBED C#CCNC[C@]1(C)CN(C(=O)CN2CCC(=O)NC2=O)C[C@H]1C 1183098368 YAGVZARUXQWPII-MLGOLLRUSA-N 320.393 -0.364 30 20 DBED C=CCNC[C@H]1CCN(C(=O)CNS(=O)(=O)NC)C[C@H]1C 1184893523 WYRBSSUEBPTXDS-VXGBXAGGSA-N 318.443 -0.700 30 20 DBED C[C@H]1CN(C(=O)c2cnc(O)n(C)c2=O)CC[C@@H]1CNCC#N 1184923164 KHZDORQZASSPLJ-WDEREUQCSA-N 319.365 -0.303 30 20 DBED C=CCOCCN1C[C@@H]2CCN(C(=O)Cn3cnnn3)[C@@H]2C1 1186819390 OKVAOZHNIDUNFW-QWHCGFSZSA-N 306.370 -0.592 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)C[C@@H]3CCCO3)[C@@H]2C1 1186957695 AMXAXYNBWLSQIA-SOUVJXGZSA-N 319.405 -0.162 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)[C@@H]2COCCO2)C1 1188948783 NQJKVFJKAAHRHZ-OLZOCXBDSA-N 311.382 -0.763 30 20 DBED CN(CC(=O)NCC#N)[C@@H]1CCN(C(=O)CCOCC2CC2)C1 1190146359 NXQQFZZFCPYIPW-CQSZACIVSA-N 322.409 -0.024 30 20 DBED C=CCOCC(=O)N1CCCN(CCN2CCNC2=O)CC1 1195283781 JBCXCRZWBQTLJO-UHFFFAOYSA-N 310.398 -0.252 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCCN(C(=O)CC(=O)NCC)CC1 1195588251 DPZBXMZAKWTFGV-CYBMUJFWSA-N 324.425 -0.262 30 20 DBED CCn1ncc(C(=O)N2CCCN(CC(=O)NCC#N)CC2)n1 1195710194 MVDPZXCZUSCOHV-UHFFFAOYSA-N 319.369 -0.914 30 20 DBED CC(C)CCCC(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1O 1196351214 BGXHOVSRHVPUAC-CHWSQXEVSA-N 310.398 -0.386 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)C[C@H]2CCNC2=O)CCCO1 1200681325 ZLBFIWMXDRFPMI-ZIAGYGMSSA-N 307.394 -0.257 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)c2cncnc2O)CC1 1201190366 QAWXKCPXYMSDJD-UHFFFAOYSA-N 319.365 -0.321 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)c2nocc2C)C1 1210494731 WYMBTOANOZQOBG-LBPRGKRZSA-N 304.350 -0.073 30 20 DBED CN1CC[C@H](C(=O)N2CCC[C@@H](NCC(=O)NCC#N)C2)C1 1211065515 WCGCUNGKCHSIGQ-QWHCGFSZSA-N 307.398 -0.842 30 20 DBED C#CCCN1C[C@@H](NC(=O)CCCS(C)(=O)=O)[C@H](OC)C1 1213563083 FQDHJHSIMZAFMW-CHWSQXEVSA-N 316.423 -0.350 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)CCN2CCOCC2)C[C@H]1C 1215929295 DQRLNOHVYMZYSM-HZPDHXFCSA-N 323.437 -0.205 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2cn(C)nc2C)C[C@@H]1O 1219605442 RXWPPOAJCHLJON-CFVMTHIKSA-N 320.393 -0.572 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(CC[C@@H]2CCCO2)C[C@@H]1O 1219609363 NTRUQKQLVKBEDB-ZNMIVQPWSA-N 310.394 -0.243 30 20 DBED C=CCNC(=O)CN1CCC(CNC(=O)[C@H](C)NC(C)=O)CC1 1222310043 QLJOQJQRMLOFHE-LBPRGKRZSA-N 324.425 -0.359 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC(NC(=O)Cn2cccn2)CC1 1226038353 RABCIWPETMQFEV-ZDUSSCGKSA-N 317.393 -0.398 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)Cc1nc[nH]n1 1229624388 MFEUCWKTVGCJGC-GHMZBOCLSA-N 319.369 -0.996 30 20 DBED N#CCNC(=O)CNC(=O)C(=O)Nc1cccc2cnccc12 1261093813 UIWGLXLOFHFHEH-UHFFFAOYSA-N 311.301 -0.071 30 20 DBED C=C(C)CONC(=O)C(=O)Nc1cc(C)n(CC(=O)NC)n1 1261514772 MAFJPRIMHPTRST-UHFFFAOYSA-N 309.326 -0.500 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)c1cnc(C(=O)OC)cn1 1319935999 HFYZQKRLPDYYOV-UHFFFAOYSA-N 322.277 -0.568 30 20 DBED CC[C@H](CC#N)NC(=O)C(=O)Nc1cc(C)n(CC(=O)NC)n1 1320701451 GSPOKIQRBJYYAZ-SNVBAGLBSA-N 320.353 -0.316 30 20 DBED C=CCOC[C@@H](NC(=O)C[C@H]1CCS(=O)(=O)C1)C(=O)OC 1322484635 MHABZADJJOKRAY-GHMZBOCLSA-N 319.379 -0.328 30 20 DBED CCN(CCC#N)S(=O)(=O)NCCCCS(N)(=O)=O 1324267943 SSILEFOYXNJOJB-UHFFFAOYSA-N 312.417 -0.875 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCC[C@H](OC)C1 1324425139 VBZOZFNGCKMMEV-NSHDSACASA-N 318.395 -0.659 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N[C@H]1CCN(CC)C1=O 1330277544 KKHYFRYGPFZFRF-RYUDHWBXSA-N 309.366 -0.732 30 20 DBED C=CCn1cc(CNC(=O)C(=O)NCC2CCOCC2)nn1 1332024723 DRNGDENNISHNKZ-UHFFFAOYSA-N 307.354 -0.377 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H]2CCCCN2C)C1=O 1337557969 KEZLQZWPEIODJP-LLVKDONJSA-N 322.365 -0.436 30 20 DBED C=CCn1c(CCOC)nnc1N1CCO[C@H](C(=O)NC)C1 1338749331 MQZAEEXAVMNNBF-NSHDSACASA-N 309.370 -0.396 30 20 DBED CCNC(=O)N1CC[C@@H](NC(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)C1 1345700219 SITIDDJULYAEQB-QJPTWQEYSA-N 321.381 -0.285 30 20 DBED C#CCSCCNC(=O)C(=O)N1CCc2nnc(O)cc2C1 1346610113 JRXGGVTZZQIQKQ-UHFFFAOYSA-N 320.374 -0.451 30 20 DBED CC(=O)N1CC[C@@H](NC(=O)C(=O)N2CCC(C)(C#N)CC2)C1 1347979914 YKRILHVFKAGJAI-GFCCVEGCSA-N 306.366 -0.124 30 20 DBED CC(C)C[C@@H](O)CNC(=O)CCn1cc(C#N)c(O)nc1=O 1362237295 KRYMIUVOLXTJHU-LLVKDONJSA-N 308.338 -0.266 30 20 DBED C[C@@H]1C(=O)CC[C@H]1CC(=O)NCCn1cc(C#N)c(O)nc1=O 1362691658 ZEEWHILOAVXNCJ-UWVGGRQHSA-N 318.333 -0.058 30 20 DBED Cn1c(=O)[nH]c(N2CCC3(CCNC3=O)CC2)c(C#N)c1=O 1363152372 FJIPDPOSORBQMU-UHFFFAOYSA-N 303.322 -0.948 30 20 DBED Cn1c(=O)[nH]c(NCc2ncnn2C(C)(C)C)c(C#N)c1=O 1364177757 KAKFUHDJLNNFCH-UHFFFAOYSA-N 303.326 -0.096 30 20 DBED Cn1c(=O)[nH]c(N2CC[C@@H](Oc3ccncc3)C2)c(C#N)c1=O 1364561145 YOVPIIFZJMENCD-LLVKDONJSA-N 313.317 -0.002 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1cnn2ccccc12 1376678633 ZFCRKXMOCXADJR-QWRGUYRKSA-N 315.333 -0.299 30 20 DBED C[C@@H](C#N)C(=O)NCC1CN(C(=O)[C@@H]2CCCS2(=O)=O)C1 1387930707 SORKBYKPQZYYOL-ONGXEEELSA-N 313.379 -0.702 30 20 DBED C=C(Cl)CN[C@H]1C[C@H](NC(=O)CN(C)S(C)(=O)=O)C1 1398532524 DZKPBSHQTYDHOB-MGCOHNPYSA-N 309.819 -0.133 30 20 DBED C[C@H](CNC(=O)c1cc(C#N)c[nH]1)NCCN1CCNC1=O 1398898214 YEMPAWGPYGPBDV-SNVBAGLBSA-N 304.354 -0.381 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C(=O)CN1CCOCC1)C1CC1 1429944696 NMKZLINUQKRSFM-LBPRGKRZSA-N 308.382 -0.415 30 20 DBED C[C@@H](C#N)C(=O)NCC1CN(C(=O)[C@H](C)CS(C)(=O)=O)C1 1432476076 JGPHELZKNZHVLY-VHSXEESVSA-N 315.395 -0.599 30 20 DBED C[C@H](C#N)C(=O)N1CCN(CC(=O)NC2CCOCC2)CC1 1472943702 NLDHALMMTOJZLQ-GFCCVEGCSA-N 308.382 -0.415 30 20 DBED CC[C@H](C(=O)N1CCC[C@H]1CNCC(=O)NCC#N)N(C)C 1483934492 NMBQRQHPLKAUNK-QWHCGFSZSA-N 309.414 -0.453 30 20 DBED C[C@@H](C#N)C(=O)NCC1CCN(C(=O)c2ncn(C)n2)CC1 1492158641 OKFZUWQELIORGH-JTQLQIEISA-N 304.354 -0.057 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)[C@@H](C)n2cncn2)C1 1494701146 LILUJPUSPKXLPC-NEPJUHHUSA-N 306.370 -0.668 30 20 DBED C=CCn1c(CO)nnc1N1C[C@H](C(=O)OCC)C2(COC2)C1 1520547202 FVUAQGRIMWPPLB-LLVKDONJSA-N 322.365 -0.028 30 20 DBED CCNC(=O)CCC(=O)N1CC(NC(=O)c2cc(C#N)c[nH]2)C1 1530394355 PSMJJCKSQJSIGL-UHFFFAOYSA-N 317.349 -0.257 30 20 DBED C[C@H](C#N)C(=O)NC[C@@](C)(NC(=O)Cc1nc[nH]n1)C1CC1 1531791328 NNRHJOCGHAIMBP-YMTOWFKASA-N 304.354 -0.092 30 20 DBED CN(C(=O)NCCN/C(O)=C1/N=CC=CC1=O)C1[C@@H]2CNC[C@@H]12 1578382707 DHKRDIHVPNHYSR-TZOZIHNUSA-N 319.365 -0.628 30 20 DBED N#Cc1ncc(NCCS(=O)(=O)C2CC2)nc1-c1nn[nH]n1 1581884006 GKVPJCYWQITROD-UHFFFAOYSA-N 320.338 -0.483 30 20 DBED C#CC[C@H](NC(=O)CN(C)S(=O)(=O)c1ccccc1)C(=O)O 1588404957 IXCPKGRRUINFEG-LBPRGKRZSA-N 324.358 -0.100 30 20 DBED C#CCN1CCN(C(=O)CN2CCC[C@]2(COC)C(=O)O)CC1 1588477646 XNKYIUZCVXDLKR-INIZCTEOSA-N 323.393 -0.671 30 20 DBED C=CCS(=O)(=O)CCNc1cnc(-c2nn[nH]n2)c(C#N)n1 1588688265 BXNNVMDRKKQKPT-UHFFFAOYSA-N 320.338 -0.459 30 20 DBED O=C(C#CC1CC1)N1CC[C@@H](N=c2cc[nH]c(-c3nn[nH]n3)n2)C1 1592766949 WXZSLBXRMONIKO-LLVKDONJSA-N 324.348 -0.495 30 20 DBED CO[C@@]1(C(=O)O)CCN(S(=O)(=O)N(C)[C@H](C)CC#N)C1 1599078276 GJWCXGHIBGSROX-KOLCDFICSA-N 305.356 -0.359 30 20 DBED N#CCN1CCN(S(=O)(=O)c2csnc2C(=O)O)CC1 1601074670 LIOKRSCXSLMMMO-UHFFFAOYSA-N 316.364 -0.329 30 20 DBED C#CCN(C(=O)NC1CC(C(=O)O)C1)[C@H]1CCS(=O)(=O)C1 1602711820 VPXJVIAERWAELC-ILDUYXDCSA-N 314.363 -0.319 30 20 DBED CC[C@H](C#N)C(=O)N1CCN(S(=O)(=O)c2nc[nH]n2)CC1 1647251112 IWPBTQUQVGLOHB-SECBINFHSA-N 312.355 -0.813 30 20 DBED N#CC[C@]1(O)CCN(Cc2nnnn2CC2CCOCC2)C1 1649847371 RUWFRSKRRFCECH-AWEZNQCLSA-N 306.370 -0.050 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H]1CCCN(Cc2cnn(C)n2)C1 1713789389 PODNUXZRNXFWFL-STQMWFEESA-N 305.382 -0.066 30 20 DBED C=CCCOCC(=O)N[C@H]1CCCN([C@@H]2CCC(=O)NC2=O)C1 1732092672 GUIPPVFAHSJRME-QWHCGFSZSA-N 323.393 -0.035 30 20 DBED C#CCNC(=O)CN1CCC[C@H](CNC(=O)COCCC)C1 1752778452 JIGRIMMTQZVRTI-CQSZACIVSA-N 309.410 -0.009 30 20 DBED C#CCCNC[C@@H]1CCCN(C(=O)C[C@H](NC(C)=O)C(N)=O)C1 1752807878 PPDFLFSVBWVGGA-KBPBESRZSA-N 322.409 -0.782 30 20 DBED N#CCNC(=O)CN1CCC[C@H]1CNC(=O)CCc1cn[nH]c1 1753113340 NVJHWZAFDVAZPC-ZDUSSCGKSA-N 318.381 -0.437 30 20 DBED C#CCNC(=O)[C@H](C)N(CCNC(=O)c1cnccn1)C1CC1 1753151816 NGERLDWITUXDNO-LBPRGKRZSA-N 315.377 -0.191 30 20 DBED CC[C@H](CNC(=O)C(C)(C)N1CCCC1)NCC(=O)NCC#N 1753480801 CQXHNZZXFYOADI-CYBMUJFWSA-N 323.441 -0.015 30 20 DBED C=CCNC(=O)CNC[C@@H](C)CNC(=O)c1c(C)ncnc1O 1753640223 QVMPFSVUBPWJFD-SNVBAGLBSA-N 321.381 -0.252 30 20 DBED CCN(CCNCC(=O)NCC#N)C(=O)c1ccnc(OC)c1 1754055130 YYAWLFBCILEMIK-UHFFFAOYSA-N 319.365 -0.218 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)C[C@@H](C)NC(=O)c1cnns1 1754301918 XSPUVWJVJOFWQM-NXEZZACHSA-N 309.395 -0.274 30 20 DBED COCC#CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1cnn(C)c1OC 1754429979 BOVWKTVHFQWBAB-KWCYVHTRSA-N 318.377 -0.119 30 20 DBED N#CCNC(=O)CN1CC(O)(CNC(=O)/C=C/c2ccco2)C1 1754764136 QGUJWFMYWZIRHH-ONEGZZNKSA-N 318.333 -0.905 30 20 DBED C=CCCN1CC(O)(CNC(=O)CNC(=O)c2ccccn2)C1 1754780338 YKPBBCOPJBSZDP-UHFFFAOYSA-N 318.377 -0.450 30 20 DBED C#CCN(C)CCCN(C)C(=O)CCCn1c(O)nnc1O 1755039717 AHJQEXPQCCENSN-UHFFFAOYSA-N 309.370 -0.117 30 20 DBED C[C@@H]1CN(C(=O)C2(CN(C)C)CC2)C[C@@H]1NCC(=O)NCC#N 1755114680 UYATZLWGYILJLI-OLZOCXBDSA-N 321.425 -0.596 30 20 DBED C#CCNC(=O)CN1C[C@H]2CC[C@H]1CN2C(=O)[C@H](CC)OC 1755393144 DFQNLRNIBNDFQP-MJBXVCDLSA-N 307.394 -0.164 30 20 DBED Cc1nc([C@H](C)N[C@@H](CO)CNC(=O)CSCC#N)no1 1755623399 FKIFTONMJUGUKY-WCBMZHEXSA-N 313.383 -0.238 30 20 DBED COCC#CCN1CCC[C@H](NC(=O)CNC(=O)OC)[C@@H]1C 1755713974 GGFWSHAIULIGDK-STQMWFEESA-N 311.382 -0.039 30 20 DBED CC#CCNC[C@H](O)CN(C)C(=O)c1c(O)nnc(C)c1C 1755784042 FVQKDZHASOFPHF-LBPRGKRZSA-N 306.366 -0.155 30 20 DBED N#CCNCCC(=O)NC[C@@H]1CCCCN1C(=O)c1cnon1 1755867458 NIXHIONCXBGMIB-NSHDSACASA-N 320.353 -0.316 30 20 DBED C#CCNC(=O)CC(=O)N(C)[C@H](C)CNC(=O)c1nocc1C 1756068960 YBSHDRFSWXGBGK-LLVKDONJSA-N 320.349 -0.301 30 20 DBED CC(C)C#CC(=O)N(C)C[C@H](O)CN(C)C(=O)c1nc[nH]n1 1756686318 UESNNFPUQGXQQS-NSHDSACASA-N 307.354 -0.645 30 20 DBED C=C(C)CCC(=O)N1C[C@H](O)[C@H](NC(=O)[C@@H]2CC(=O)N(C)C2)C1 1757181243 KSBMQXPPFZCJGQ-UPJWGTAASA-N 323.393 -0.491 30 20 DBED C=CCOCC(=O)N(C)C[C@@H]1CCN1C(=O)[C@H]1COCCO1 1757277906 CAMXYQGYMIJVOX-QWHCGFSZSA-N 312.366 -0.336 30 20 DBED CC(C)[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC#N)[C@H]2C1 1786361967 AVDCZEUNHLZADV-PWNZVWSESA-N 323.393 -0.103 30 20 DBED N#CCC(=O)NC1CCN(C2CCN(C(=O)CN)CC2)CC1 1834399251 QCYVUEHSZJLJKR-UHFFFAOYSA-N 307.398 -0.570 30 20 DBED C#CC(=O)N1CC2(CCCN2C(=O)c2cn(C)nc2OC)C1 1842349276 AVNAOQSJZNNHER-UHFFFAOYSA-N 302.334 -0.121 30 20 DBED C[C@@H](S)C(=O)N1CC2(CCCN2C(=O)Cn2ccnn2)C1 1843103325 ISAWFKQEBWYTDZ-SNVBAGLBSA-N 309.395 -0.200 30 20 DBED C[C@@H](S)C(=O)N1CC2(CCCN2C(=O)[C@@H]2C[C@H](O)CN2)C1 1845067060 FQYYOMSDPGGRIH-VWYCJHECSA-N 313.423 -0.769 30 20 DBED CC(=O)C[C@@H](C)C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846197151 ZQEAKEPTECZWSN-LLVKDONJSA-N 320.345 -0.107 30 20 DBED CC[C@@H](C)[C@@H](O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C#CC(=O)O 1847842541 MSZVNPGKTSQQRN-OXJKWZBOSA-N 322.361 -0.317 30 20 DBED C=C(C)CN(CC)CC(=O)c1c(N)n(CCOC)c(=O)[nH]c1=O 73141718 OUPOANCHWZMZRR-UHFFFAOYSA-N 324.381 -0.154 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CCO1 106235552 QZRGDALVPOIXDG-MRVPVSSYSA-N 308.319 -0.231 30 20 DBED CCN1CCC[C@@H]1CN/C(N)=N/CCC(=O)N1CCOCC1 170910117 APSIGGDMVMYVQH-CYBMUJFWSA-N 311.430 -0.376 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCC(=O)OCC2CC2)C1=O 263663593 BFGVJXRXUKXEPM-UHFFFAOYSA-N 323.305 -0.967 30 20 DBED C#Cc1cccc(NC(=O)C(=O)NCCN2C(=O)CCC2=O)c1 265614509 WYAVTFJFNVFTOM-UHFFFAOYSA-N 313.313 -0.128 30 20 DBED Cc1cc(NC(=O)NCCN2CCNC(=O)C2)nn1CCC#N 272720563 MTXMKJXPQGDYMA-UHFFFAOYSA-N 319.369 -0.342 30 20 DBED C=CCNC(=O)CNC(=O)NCCCOCCOCCOC 274411468 JDCLYKLYQHXPKH-UHFFFAOYSA-N 317.386 -0.343 30 20 DBED COCCN1CC[C@@H](NS(=O)(=O)c2cccnc2C#N)C1 277200320 PMSWPVQDSDGZEV-LLVKDONJSA-N 310.379 -0.048 30 20 DBED C=C[C@@H](CO)NC(=O)c1cncc(C(=O)N[C@H](C=C)CO)c1 290521233 HGEDBLKWMKCSHH-BETUJISGSA-N 305.334 -0.365 30 20 DBED CN(C)c1cc(C#N)cc(C(=O)NCCC(=O)NC(N)=O)c1 294805195 BNTAWELZXSTQBY-UHFFFAOYSA-N 303.322 -0.061 30 20 DBED C=CCCO[C@H](C)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 299290515 IOQCYYZGCUQNHA-GFCCVEGCSA-N 323.393 -0.083 30 20 DBED O=C(NC/C(O)=N/CCN1CCOCC1)c1n[nH]c2c1CCC2 329370249 LVNJFUKWGHMQBS-UHFFFAOYSA-N 321.381 -0.083 30 20 DBED C[C@H](CO[C@@H]1CCOC1)/N=C(/O)N1CCS(=O)(=O)CC1 329789147 BTUMNVXLJVQFSA-GHMZBOCLSA-N 306.384 -0.175 30 20 DBED CC[C@@H](/N=C(/O)N1CCn2ncnc2C1)C(=O)N1CCOCC1 329960531 NYOBXTJHJYUAKC-LLVKDONJSA-N 322.369 -0.355 30 20 DBED C[C@H](O)C[C@@H]1COCCN1/C(O)=N/CCCS(C)(=O)=O 331015205 XNKPKMCUXIRQBD-WDEREUQCSA-N 308.400 -0.193 30 20 DBED C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCN(C(=O)CO)CC1 344772655 IPVRJEXCZRQJTN-LBPRGKRZSA-N 317.345 -0.011 30 20 DBED COCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)CCCC#N 348115910 VEEPOVRXAAHRLU-LLVKDONJSA-N 324.424 -0.245 30 20 DBED N#CC1(CS(=O)(=O)NCCC(=O)NC(N)=O)CCCCC1 356495363 DEDUJOLJGQQEQN-UHFFFAOYSA-N 316.383 -0.035 30 20 DBED CCN(CC)S(=O)(=O)CCNS(=O)(=O)CC1(C#N)CC1 361562984 HIBFNWYFQCTDQS-UHFFFAOYSA-N 323.440 -0.119 30 20 DBED Cc1cc(NC(=O)C(=O)N2C[C@@H](C)[C@@H](CO)C2)nn1CCC#N 362004539 ZCXSXQSGYDTPPD-ZYHUDNBSSA-N 319.365 0.131 30 20 DBED Cn1c(N[C@@H]2CCCC(F)(F)[C@H]2O)c(C#N)c(=O)n(C)c1=O 413576270 MCRWSXJZHPNYCS-BDAKNGLRSA-N 314.292 -0.084 30 20 DBED COCCNC(=O)[C@H](CC(C)C)NS(=O)(=O)[C@@H](C)C#N 416436940 FOJXCUAACWLQJB-QWRGUYRKSA-N 305.400 -0.005 30 20 DBED CCn1cc(C#N)c(=O)n(CC(C)(C)CS(C)(=O)=O)c1=O 442384395 RAYIFLQAFZHNTB-UHFFFAOYSA-N 313.379 -0.028 30 20 DBED C#CCNS(=O)(=O)CCCS(=O)(=O)Nc1c[nH]nc1C 491484784 KWYPNMDVDHDQTA-UHFFFAOYSA-N 320.396 -0.597 30 20 DBED C#CCN1CCN(C(=O)CNC2(CC(=O)OC)CCC2)CC1 491776342 FKUMKYOMLXNFMZ-UHFFFAOYSA-N 307.394 -0.161 30 20 DBED CN(CCN)C(=O)C(=O)N1CCN(c2ccsc2C#N)CC1 595983739 RMGDTWHYHNJQNP-UHFFFAOYSA-N 321.406 -0.315 30 20 DBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)CNS(=O)(=O)N(C)C 614375596 RKCBHVCXRTZGQC-JQWIXIFHSA-N 305.400 -0.520 30 20 DBED CCO[C@@H]1CCCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)C1 619708126 FSZJEFYLSFERQY-NEPJUHHUSA-N 303.384 -0.044 30 20 DBED C[C@@H](OC(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)N(C)CCC#N 735151915 SUWICMJQFRSUPJ-SECBINFHSA-N 322.321 -0.999 30 20 DBED N#Cc1ccc(CNC(=O)CN2CCO[C@@H](C(=O)O)C2)cc1 738432350 JWLIPWQNUWXWJY-CYBMUJFWSA-N 303.318 -0.040 30 20 DBED Cn1cc(C(=O)C(=O)OCC(=O)N(CCC#N)CCC#N)cn1 748431653 HKJFJARIPKJYJV-UHFFFAOYSA-N 317.305 -0.198 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H](O)c2ccco2)C1=O 748558360 SARXXZPRJQKPAX-SECBINFHSA-N 321.289 -0.594 30 20 DBED C#C[C@H](CC)OC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 768058096 CQWIKVJTGOWDBL-SNVBAGLBSA-N 318.333 -0.221 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N[C@@H]1CCCN(C)C1=O 783007290 ZSUNVWOSQKVPBA-SNVBAGLBSA-N 303.384 -0.493 30 20 DBED C#CCOc1ccccc1NC(=O)C(=O)N[C@H]1CNC(=O)C1 784867689 HJLLABRVDHUYPR-SNVBAGLBSA-N 301.302 -0.358 30 20 DBED C#CCCCNC(=O)C(=O)N1CCC(N(C)CCCO)CC1 806909305 CRALBXWRVOIKHE-UHFFFAOYSA-N 309.410 -0.179 30 20 DBED C#CCCCNC(=O)C(=O)N(C)CCCN1CCN(C)CC1 806913303 WKXMWYMWNKPSOS-UHFFFAOYSA-N 308.426 -0.388 30 20 DBED C#CCCS(=O)(=O)NCC1CCN(S(=O)(=O)CC)CC1 808306464 XUSUTLZWRVXYBG-UHFFFAOYSA-N 322.452 -0.009 30 20 DBED C#CC[C@H](CO)NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 816670604 ABBXKWCUURUZCI-CQSZACIVSA-N 320.370 -0.027 30 20 DBED C#CC[C@@H](CO)NC(=O)c1cn(CC(OCC)OCC)nn1 816673922 MEHRSUZWZKVBEC-NSHDSACASA-N 310.354 -0.209 30 20 DBED C#CC[C@H](CO)NC(=O)c1ccc([C@]2(C)NC(=O)NC2=O)cc1 816674896 NCVPUBKDSFBOMR-WBMJQRKESA-N 315.329 -0.145 30 20 DBED N#Cc1cc(F)ccc1NC(=O)C(=O)N1CCO[C@H](C(=O)O)C1 819096110 XWPVUYLUUUDAPK-NSHDSACASA-N 321.264 -0.052 30 20 DBED C[C@H]1CN(C(=O)Cn2cnc(-c3nn[nH]n3)c2C#N)C[C@@H](C)O1 824968525 QGBSAXAFRPQZNR-DTORHVGOSA-N 316.325 -0.429 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@H]1CCN(CCC)C1)[C@H]1CCCO1 829213794 CGCCGIFFSMKSRA-MELADBBJSA-N 307.394 -0.116 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)c1cccc(S(N)(=O)=O)c1 852777975 CDEMRZAAKURSLO-VIFPVBQESA-N 310.331 -0.371 30 20 DBED C#CCCOC(=O)N1CCOC[C@@H]1C(=O)NCC(=O)OCC 859098646 OMRMAJSZKLZZNX-LLVKDONJSA-N 312.322 -0.474 30 20 DBED C=CCNC(=O)[C@@H](C#N)C(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1 860471615 ODPNXYBQZXLIDF-PWSUYJOCSA-N 315.333 -0.216 30 20 DBED CO[C@@](C)(C(=O)O)C(=O)NS(=O)(=O)c1cccc(C#N)c1 863952922 IEOFSUGNGDMAQK-GFCCVEGCSA-N 312.303 -0.147 30 20 DBED C#CCNS(=O)(=O)N1CCN(c2nc(C)cc(C)n2)CC1 872633967 RQAJVZCCXIWAEP-UHFFFAOYSA-N 309.395 -0.317 30 20 DBED C#CC1(O)CN(S(=O)(=O)c2cccc(CC(=O)OC)c2)C1 908228423 MSUAVKLAAVJNAH-UHFFFAOYSA-N 309.343 -0.229 30 20 DBED C[C@]1(NC(=O)C(F)(F)F)CCN(C(=O)NCC#CCO)C1 923761710 WDIOJFIVNITOFI-NSHDSACASA-N 307.272 -0.165 30 20 DBED C=CC[C@@H](CO)CNC(=O)Cn1cccc(C(=O)OC)c1=O 935234812 FFBQCPROZLVBOE-LLVKDONJSA-N 308.334 -0.064 30 20 DBED Cc1nonc1CN1CC(N2CCN(C(=O)[C@@H](C)C#N)CC2)C1 941345327 RQPFRTHPHOGKOH-NSHDSACASA-N 318.381 -0.134 30 20 DBED Cc1ncncc1C(=O)NC[C@@H]1CN(C(=O)[C@H](C)C#N)CCO1 944498591 URIXBSPIJZHGIO-ZYHUDNBSSA-N 317.349 -0.098 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H]2C[C@H]1[C@@H]2NC(=O)Cn1cnnn1 946650254 PTILMTNBGLNQDO-JFGNBEQYSA-N 304.354 -0.399 30 20 DBED CC#CCN1CC[C@H](NC(=O)CN2C(=O)CNC2=O)C[C@H]1C 948012931 RRZHTKMIKDDJRW-NEPJUHHUSA-N 306.366 -0.469 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2CCN2C(=O)[C@H](C)OC)nn1 950052088 BMYXCFIJSRNSDA-QWRGUYRKSA-N 307.354 -0.170 30 20 DBED CN(C(=O)c1cc(C#N)c[nH]1)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 953990544 ZHFHWESIBCOBNG-ZYHUDNBSSA-N 317.305 -0.166 30 20 DBED CN(C(=O)[C@@H]1CCNC1=O)C1CCN(C(=O)C#CC2CC2)CC1 954132701 YICYTBHGRJDRRM-CQSZACIVSA-N 317.389 -0.015 30 20 DBED CN(C(=O)[C@@H]1CCC(=O)N1C)C1CN(C(=O)C#CC2CC2)C1 955034149 BDUWSRZIXZKVFY-ZDUSSCGKSA-N 303.362 -0.310 30 20 DBED C=CCN1CC[C@H](N2CCN(C(=O)Cn3cncn3)CC2)C1=O 957572510 MZLVPWVGESCMRP-ZDUSSCGKSA-N 318.381 -0.791 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2ccnn2CCOC)C1 958170865 ATMMFIVUYZCOPA-GXTWGEPZSA-N 306.366 -0.815 30 20 DBED COc1coc(C(=O)NC[C@H]2CN(CC#N)C[C@H]2O)cc1=O 958261814 BRARJRIBHZZACA-GXSJLCMTSA-N 307.306 -0.806 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2n[nH]cc2F)C1 958951528 FSAKQJJHSXZZBA-JEZHCXPESA-N 309.301 -0.648 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)C12CCN(CC1)C2 964263624 RTTZALNAMWWRLC-QWHCGFSZSA-N 320.393 -0.415 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2CCCCN2C(=O)C(N)=O)cn1 964575050 RRORPDVBWKDPRP-CYBMUJFWSA-N 314.345 -0.341 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CN(C(=O)Cn3cccn3)CCO2)C1 965308087 YNRKAUQUBGNVEQ-GFCCVEGCSA-N 317.349 -0.517 30 20 DBED C[C@@H]1CCN(CC#N)C[C@H]1NC(=O)CN1C(=O)NC(C)(C)C1=O 968613722 FMHFZLPRGSETPN-GHMZBOCLSA-N 321.381 -0.333 30 20 DBED CC#CCN1CCO[C@@]2(CCN(C(=O)[C@@H]3COCCO3)C2)C1 972274666 ITRYPGDNCZGWGJ-HOCLYGCPSA-N 308.378 -0.272 30 20 DBED CC#CCN1CCO[C@@]2(CCN(C(=O)Cn3cnnc3O)C2)C1 972348410 MRTCRYQWHMJOBV-HNNXBMFYSA-N 319.365 -0.690 30 20 DBED C=C(C)CCN1CCO[C@]2(CCN(C(=O)Cn3ncnn3)C2)C1 972382401 YIESHFRBZSLQRC-OAHLLOKOSA-N 320.397 -0.057 30 20 DBED O=C1NC[C@H](C(=O)NC[C@@H]2CCCN(C(=O)C#CC3CC3)C2)N1 975492340 UELREJDXXNEUTB-QWHCGFSZSA-N 318.377 -0.564 30 20 DBED CC1(C)CN(CC#N)C[C@@H]1NC(=O)[C@H]1CCS(=O)(=O)N1 977608145 YNGZLGGVNNUQTK-ZJUUUORDSA-N 300.384 -0.972 30 20 DBED N#Cc1cc(C(=O)NC2CN(C(=O)[C@H]3CC[C@@H]3C(N)=O)C2)c[nH]1 990927714 GVXQNBIXYWUZQP-RYUDHWBXSA-N 315.333 -0.662 30 20 DBED C#Cc1cncc(C(=O)N2CC(NC(=O)Cc3n[nH]c(C)n3)C2)c1 991281397 SRJHXCJEMCQSMD-UHFFFAOYSA-N 324.344 -0.327 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CN(C(=O)[C@H]2COCCO2)C1 992026900 JSYUJRABXXOPRK-MJBXVCDLSA-N 324.377 -0.290 30 20 DBED C#CCCN1CCC[C@H](NC(=O)CN2CCN(C)C(=O)C2)[C@H]1C 993527054 YCWNJMBBXOXDMR-CABCVRRESA-N 320.437 -0.247 30 20 DBED C=C(C)CN[C@@H]1CN(C(=O)CN2CCNC(=O)C2)CC1(C)C 996131841 CPUZAANJJLAJTO-CYBMUJFWSA-N 308.426 -0.179 30 20 DBED C[C@@H](NC(=O)[C@@H]1CCN(C)C1=O)C1CN(C(=O)C#CC2CC2)C1 1006639907 AXGNHWRJMBKHQX-RISCZKNCSA-N 317.389 -0.159 30 20 DBED CC(=O)N1CC(C(=O)NC[C@H]2[C@@H]3CN(C(=O)[C@@H](C)C#N)C[C@H]23)C1 1008993348 PYNLVQDHMXSUMW-NZPIUUIZSA-N 318.377 -0.555 30 20 DBED N#Cc1c[nH]c(C(=O)N2CCN(C(=O)Cn3nccn3)CC2)c1 1010920895 MTTPHCIRLYJPBF-UHFFFAOYSA-N 313.321 -0.538 30 20 DBED C[C@H]1[C@H](NC(=O)c2nnn(C)n2)CCN1C(=O)C#CC1CC1 1011736048 JRPQQHWJLQTDGQ-GXSJLCMTSA-N 302.338 -0.657 30 20 DBED C[C@@H](C#N)C(=O)N1CCCO[C@@H](CNC(=O)c2cncn2C)C1 1019615334 KOZUVYBWBDTOKS-RYUDHWBXSA-N 319.365 -0.073 30 20 DBED CCn1ccnc1C(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1023542669 RPYDIRUXGIBFIE-CHWSQXEVSA-N 316.361 -0.382 30 20 DBED N#CCN1CCC[C@H](CNC(=O)c2cnn3c(=O)cc[nH]c23)C1 1023636785 UEQAOTQVWALZAJ-LLVKDONJSA-N 314.349 -0.012 30 20 DBED C#CCN1CCCC[C@H]1CNC(=O)c1cn(C)c(=O)n(C)c1=O 1024685880 POZAMCMVECLFOJ-LBPRGKRZSA-N 318.377 -0.699 30 20 DBED C=CCN1[C@H]2CC[C@H]1CN(C(=O)c1cn(CC(N)=O)nn1)C2 1029597521 VVMGNTBNVYBZBA-QWRGUYRKSA-N 304.354 -0.762 30 20 DBED C=CCCN1CC(CNC(=O)c2cn(CC(=O)N(C)C)nn2)C1 1032206571 FFAQLVZQAUNNCW-UHFFFAOYSA-N 320.397 -0.396 30 20 DBED C=CCCN1CC[C@H](N(C)C(=O)c2cn(CC(N)=O)nn2)C1 1033685096 KMXWPKHMOXOBFA-NSHDSACASA-N 306.370 -0.514 30 20 DBED C#CCN1CCC(C(=O)N2CC[C@@H](NCC(N)=O)[C@H](C)C2)CC1 1036309786 GXWSIZJYTSWYJZ-UKRRQHHQSA-N 320.437 -0.357 30 20 DBED C#CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)c1cccc(OCC(N)=O)c1 1037435452 POTZENKTKXOYQF-INWMFGNUSA-N 313.357 -0.014 30 20 DBED N#CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)C1CC2(C1)CS(=O)(=O)C2 1037460489 FNIIUXIKUANNKN-ADEWGFFLSA-N 309.391 -0.476 30 20 DBED Cc1cn2nc(C(=O)N[C@@H]3[C@H]4C[C@H]3N(CC#N)C4)cc2c(=O)[nH]1 1037519333 ZLSBJNPJFGBJDF-UFGOTCBOSA-N 312.333 -0.343 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2CCN2[C@@H](C)C(=O)NC)nn1 1038792795 XTAIQMVZFXITGG-WDEREUQCSA-N 306.370 -0.597 30 20 DBED CCN(CC)CC(=O)NC[C@]1(O)CCN(C(=O)[C@H](C)C#N)C1 1039784260 CJSRBYUMZRZILZ-IUODEOHRSA-N 310.398 -0.433 30 20 DBED Cc1ncc(CC(=O)NC[C@]2(O)CCN(C(=O)[C@H](C)C#N)C2)o1 1040116336 YPIHTTUCJZSCRI-MEBBXXQBSA-N 320.349 -0.235 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)Cn2ccnc2)C1 1040214499 OLRVJWBTVQGYOJ-FZMZJTMJSA-N 305.338 -0.878 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)C23CCN(CC2)C3)C1 1040356340 HOKDYOCFCOLMSO-BLLLJJGKSA-N 320.393 -0.679 30 20 DBED N#Cc1cnc(N2C[C@@H]3CCN(C(=O)Cn4nccn4)[C@@H]3C2)cn1 1040730776 LSABXNBYXYYIMU-WCQYABFASA-N 324.348 -0.323 30 20 DBED C[C@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)CC2=CCOCC2)C1 1040759443 IRVBXRSVXGZRQI-WBMJQRKESA-N 321.377 -0.038 30 20 DBED Cn1cccc1C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1O 1040917548 RUXNCPVVWFIULG-DGCLKSJQSA-N 312.333 -0.334 30 20 DBED Cc1ccc(C(=O)NCC2(O)CN(C(=O)[C@@H](C)C#N)C2)cn1 1041497951 CYWXWNHXYREZEB-JTQLQIEISA-N 302.334 -0.147 30 20 DBED N#Cc1nc(=N[C@H]2C[C@H](NC(=O)C(N)=O)C23CCC3)cc[nH]1 1041610532 ITRBCMDCEKFHQR-IUCAKERBSA-N 300.322 -0.905 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)[C@H]2C[C@@H]2C(=O)OC)C1 1041985585 VPNRNAXQMLJYGQ-QWRGUYRKSA-N 310.350 -0.549 30 20 DBED CCc1ocnc1C(=O)NCC1(O)CN(C(=O)[C@@H](C)C#N)C1 1042226633 DBJIXPKQWJOVSC-VIFPVBQESA-N 306.322 -0.300 30 20 DBED Cc1cccnc1C(=O)NCC1(O)CN(C(=O)[C@H](C)C#N)C1 1042418632 NEMBNOVXRRCFBR-LLVKDONJSA-N 302.334 -0.147 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)c2ccnc(O)c2)C1 1042510794 UKULTKTUEFFWBD-UHFFFAOYSA-N 317.345 -0.106 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)C2CCOCC2)C1 1042803351 XFJUPSFVGUFJGG-UHFFFAOYSA-N 308.378 -0.094 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)c2ccc(C)nn2)C1 1042972297 BYXKYRDFBLZQQN-UHFFFAOYSA-N 320.349 -0.709 30 20 DBED C[C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1Nc1cnc(C#N)cn1 1043185177 LYYNPOQDKDJJTR-ZYHUDNBSSA-N 312.337 -0.101 30 20 DBED C=C(C)CCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCC(=O)N2)C1 1043310765 KISFHJINCYBJFV-NSHDSACASA-N 309.366 -0.689 30 20 DBED C=CCCCC(=O)N1CC(O)(CNC(=O)C[C@H]2CCC(=O)N2)C1 1043842804 UDZBJDMHEXBMAM-GFCCVEGCSA-N 323.393 -0.299 30 20 DBED Cc1ccnc(N2C[C@H](O)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)n1 1043891427 FYOMSVZBGTVRLT-OLZOCXBDSA-N 312.333 -0.036 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)CC[C@H]2CCCO2)C1 1045540187 DUIGNYKNNONMNO-VXGBXAGGSA-N 309.366 -0.205 30 20 DBED CCn1nccc1C(=O)N1CC(O)(CNC(=O)[C@@H](C)C#N)C1 1045541397 VXDDISOHAQYVDW-JTQLQIEISA-N 305.338 -0.634 30 20 DBED Cc1ccncc1CC(=O)N1CC(O)(CNC(=O)[C@H](C)C#N)C1 1045565418 WSWIQIWLIYXERI-GFCCVEGCSA-N 316.361 -0.218 30 20 DBED N#CCN1CC[C@H](N2CCN(C(=O)CN3CCCC3=O)CC2)C1 1046001301 KICGLOQPPWEARC-AWEZNQCLSA-N 319.409 -0.649 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)c2n[nH]cc2F)C1 1046206349 IRQCOEFFIVBOAZ-UHFFFAOYSA-N 308.313 -0.489 30 20 DBED C=CCN1C[C@H]2C[C@@H](NC(=O)CN3CCNC(=O)C3)C[C@H]1C2 1047121105 DRSWTGZDSYSRRS-BFHYXJOUSA-N 306.410 -0.427 30 20 DBED N#CCN1C[C@H]2C[C@H](NC(=O)c3nccnc3C(N)=O)C[C@H]1C2 1047194941 ARIXZWFUTUJFKO-GARJFASQSA-N 314.349 -0.318 30 20 DBED Cn1cc(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)N(CC#N)C3)n(C)c1=O 1047208199 ADFPZUYCZHXSNS-SRVKXCTJSA-N 303.366 -0.170 30 20 DBED CN(C(=O)c1cncc2ncn(C)c12)[C@H]1CN(CC#N)C[C@@H]1O 1047414736 VBWMXXQWBCXNBK-STQMWFEESA-N 314.349 -0.391 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCCC(=O)N2)C1 1047525822 ZYVMETPJRDHWRN-RDBSUJKOSA-N 307.394 -0.428 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CSCC#N)C1 1048302486 SUXHRHRICQZVHC-DCAQKATOSA-N 310.379 -0.567 30 20 DBED C#CCCN1C[C@H]2CN(C(=O)c3cnc(O)n(C)c3=O)C[C@H]2C1 1048975067 IDOUCGAWARYXJZ-TXEJJXNPSA-N 316.361 -0.487 30 20 DBED C=CCO[C@H](C)C(=O)N(C)[C@H]1CN(C(=O)[C@@H](C)OC)C[C@@H]1O 1049010664 FSBIZEQOWXRHKT-NDBYEHHHSA-N 314.382 -0.358 30 20 DBED C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)CN1CC(=O)N(C)C1=O 1049840800 ORAWQQXXSHKPET-CHWSQXEVSA-N 318.377 -0.421 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)[C@@H]1CCc2n[nH]cc2C1 1051203743 JSWAZFDSICTREI-OCCSQVGLSA-N 302.378 -0.035 30 20 DBED N#CCN1CCN([C@H]2CCN(C(=O)[C@H]3CCC(=O)N3)C2)CC1 1051998306 RJVLTUOTLIUARO-QWHCGFSZSA-N 305.382 -0.993 30 20 DBED CC#CCN1CCC[C@@H](NC(=O)CN2CCN(C)C(=O)C2)CC1 1052501260 AXAKVNKKFYCQGL-OAHLLOKOSA-N 320.437 -0.246 30 20 DBED N#Cc1cccc(CN2CC3(C2)CN(C(=O)C(N)=O)CCO3)c1 1053404742 UPPLFIRVEXGFHI-UHFFFAOYSA-N 314.345 -0.543 30 20 DBED C#CCN1CC2(CC[C@@H](CNC(=O)c3nnn(C)c3C)O2)C1 1053585510 HSFVICVLMPVSNM-LBPRGKRZSA-N 303.366 -0.280 30 20 DBED COc1cc(C(=O)N[C@H]2COC3(C2)CN(CC#N)C3)ncn1 1053804628 ZZXSMGCKBDTHAY-SNVBAGLBSA-N 303.322 -0.418 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)CN3C(=O)CCC3=O)CO2)C1 1054003830 BRSGYNWAQIRQAL-GFCCVEGCSA-N 319.361 -0.882 30 20 DBED C[C@@H](C#N)C(=O)NC1CCN(CCNC(=O)[C@H]2CCOC2)CC1 1055540256 XGTGBMOZKZXVJS-STQMWFEESA-N 322.409 -0.121 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@](CO)(NC(=O)Cn2cccn2)C1 1055763983 OHOKRRSESXCNEH-WFASDCNBSA-N 319.365 -0.488 30 20 DBED Cn1nccc1C(=O)NC1[C@@H]2CN(c3nccnc3C#N)C[C@@H]12 1056138103 GUDUPIBXWKETLS-NXEZZACHSA-N 309.333 -0.054 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)CCCC(=O)NC 1057396154 YGTAVMZFVDEGJF-UHFFFAOYSA-N 313.398 -0.194 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)Cc1cncn1C 1057516933 DCTTYJBTXHBNDR-UHFFFAOYSA-N 320.393 -0.441 30 20 DBED COCCOCC(=O)NCCN(CCO)C(=O)C#CC(C)C 1057517236 MJOGNOFYKMUUEJ-UHFFFAOYSA-N 314.382 -0.754 30 20 DBED C=CCC(C)(C)C(=O)N(CCO)CCNC(=O)c1cnn(C)n1 1057601110 CTCDRAOAWLDAGE-UHFFFAOYSA-N 323.397 -0.032 30 20 DBED C=CCCOCC(=O)N(CCO)CCNC(=O)c1cocn1 1057918844 BMFQNHHDGKFGRU-UHFFFAOYSA-N 311.338 -0.182 30 20 DBED Cc1cc(C#N)nc(N2CC[C@@H](NC(=O)[C@H]3COC(=O)N3)C2)n1 1058350995 XQOXADYBWNMXJV-MWLCHTKSSA-N 316.321 -0.540 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1CCN(C(=O)[C@@H]2CCCNC2=O)C1 1058985348 LTSJJZBILWSURR-QWHCGFSZSA-N 313.361 -0.086 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1C[C@H](NC(=O)Cn2cnnc2O)C1 1059180763 TXMXQINNPUSYIN-XYPYZODXSA-N 313.321 -0.568 30 20 DBED N#Cc1cnc(N[C@H]2C[C@H](NC(=O)[C@@H]3COC(=O)N3)C2)cn1 1059212205 WPVOHKDOBKDQSR-NRPADANISA-N 302.294 -0.484 30 20 DBED C=CCCO[C@@H](C)C(=O)N1CC[C@H](CCNC(=O)C(N)=O)C1 1059293792 ZECHWZFVZPZYDA-RYUDHWBXSA-N 311.382 -0.192 30 20 DBED N#Cc1cncc(N[C@H]2C[C@@H](NC(=O)[C@H]3CC[C@H]3C(N)=O)C2)n1 1059784180 HELBCGXGKXKYPP-DMWPJOQESA-N 314.349 -0.081 30 20 DBED Cn1cnc(C(=O)NCC2(NC(=O)CSCC#N)CCC2)n1 1062925578 CFTFXBCYMIVWJS-UHFFFAOYSA-N 322.394 -0.159 30 20 DBED N#Cc1nccc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)Cc2nc[nH]n2)n1 1064294298 MYZYLAKXKVQFRQ-ITMYJUKJSA-N 310.321 -0.598 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)[C@@H]2CCNC(=O)C2)CCC1 1064302542 MUXTYJNYTZFRJP-GHMZBOCLSA-N 306.366 -0.173 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CN(C(=O)C2CCOCC2)CCO1 1064742584 WNMBUUDXIWWKAA-YPMHNXCESA-N 309.366 -0.084 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CN(C(=O)c2cc[n+]([O-])cc2)CCO1 1064807773 FGYUTULVDCJXEN-DGCLKSJQSA-N 318.333 -0.563 30 20 DBED CC(=O)N(C)CC(=O)N1CCO[C@@H](CNC(=O)C#CC(C)C)C1 1064882825 KLEJTEKNWJKWOO-AWEZNQCLSA-N 323.393 -0.532 30 20 DBED CC(=O)N[C@@H](C)C(=O)NC[C@H]1CN(C(=O)C#CC(C)C)CCO1 1065124973 SDCLUGXUGRBXAK-JSGCOSHPSA-N 323.393 -0.486 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(C(=O)Cc2ncc[nH]2)CCO1 1065522665 XRVFBUIVNWBBPD-ZDUSSCGKSA-N 316.361 -0.291 30 20 DBED C[C@@H]1CN(C(=O)c2cnn[nH]2)C[C@@H]1CN=c1cc[nH]c(C#N)n1 1065919181 JDNMWUFTVTYXOE-ZJUUUORDSA-N 312.337 -0.292 30 20 DBED C#CCOCCC(=O)N1CCC[C@@H](NC(=O)c2nc[nH]n2)CC1 1066390027 IJJOMLONCJMDTJ-GFCCVEGCSA-N 319.365 -0.045 30 20 DBED C=C[C@@H](CC)CC(=O)N1CCOC2(C1)CN(C(=O)C(N)=O)C2 1068437821 GRUJUILUYPHXDH-NSHDSACASA-N 309.366 -0.486 30 20 DBED N#Cc1cncc(NC[C@H]2C[C@H](NC(=O)[C@@H]3COC(=O)N3)C2)n1 1068481558 RNXMRNMEWDXKOX-QXEWZRGKSA-N 316.321 -0.237 30 20 DBED C#CCOCCC(=O)N[C@@H]1COC2(C1)CN(C(=O)[C@@H](C)OC)C2 1068867793 DDRWQKKPYGTENY-OLZOCXBDSA-N 324.377 -0.453 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1COC2(C1)CN(C(=O)CN1CCCC1)C2 1069008666 ULIIARVFIKDKSJ-QWHCGFSZSA-N 320.393 -0.272 30 20 DBED Cc1nn[nH]c1C(=O)N1CC2(C[C@@H](NC(=O)[C@@H](C)C#N)CO2)C1 1069008875 VYPLJNGHLNQQGW-WCBMZHEXSA-N 318.337 -0.628 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCCN(C(=O)c2cocn2)C1 1070546648 BKBQFACOTUYVDH-LLVKDONJSA-N 318.333 -0.465 30 20 DBED CC(C)C#CC(=O)N1CCC[C@@H](NC(=O)C2(NC(N)=O)CC2)C1 1070703328 OVUXZCIFQHATGP-GFCCVEGCSA-N 320.393 -0.046 30 20 DBED CC#CCN1C[C@H]2C[C@H]3CN(C(=O)c4cnn[nH]4)C[C@@]3(C1)O2 1070820539 RRWBMIVDVGFPNC-YWPYICTPSA-N 301.350 -0.257 30 20 DBED C#CCN1CC[C@]2(C1)CN(C(=O)Cn1cncn1)C[C@H](C)O2 1071238719 PSARJJOETADDIB-ZFWWWQNUSA-N 303.366 -0.397 30 20 DBED C=CCCC(=O)N[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1C 1071742703 VHJCMVSLPXXFEH-GHMZBOCLSA-N 302.396 -0.040 30 20 DBED C=CCOCC(=O)N1C[C@H](C)[C@@H](NC(=O)c2nccnc2N)C1 1071808401 HFKIDPDDJFXZCX-QWRGUYRKSA-N 319.365 -0.162 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](NC(=O)C2CCC2)[C@H](C)C1 1071935332 AENDGNZPXBAING-DGCLKSJQSA-N 305.378 -0.111 30 20 DBED C#CCCN1CCCO[C@H](CNC(=O)[C@H]2CN(C)CCO2)C1 1073564023 PCYPRJFQHDAIRS-HUUCEWRRSA-N 309.410 -0.453 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)c2ccc3nnnn3c2)C1 1073696278 GDPYOTDKWPVECZ-CYBMUJFWSA-N 314.349 -0.422 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)[C@@H]2CCCCN2C(N)=O)C1 1073854212 ZPYYOAIKXUMWBR-KGLIPLIRSA-N 322.409 -0.240 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)c3cn(C)c(=O)n3C)C[C@H]21 1074415175 LWLBNMMMOOTNGO-TZMCWYRMSA-N 318.377 -0.728 30 20 DBED CC#CCCCC(=O)N1CCC(O)(CNC(=O)CC(N)=O)CC1 1074681529 ZMTDUZMKSWKAHM-UHFFFAOYSA-N 323.393 -0.475 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(O)(CNC(=O)Cc2cnoc2)CC1 1074706832 PPPUDPAWMCBDIM-NSHDSACASA-N 320.349 -0.154 30 20 DBED C#CCO[C@H](C)C(=O)NCC[C@H](C)NC(=O)CNC(=O)CC 1076510668 ROEUHXUPGKHCQQ-NWDGAFQWSA-N 311.382 -0.438 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)C[C@H]2COC(=O)C2)C1 1076884326 QNRLLNSIEDASFU-GMTAPVOTSA-N 302.758 -0.147 30 20 DBED C=CCCOCC(=O)NCC[C@H](C)NC(=O)CNC(N)=O 1077063830 FPAQFAGJUCILRG-JTQLQIEISA-N 300.359 -0.742 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCn3cc(C)nc3C2)C1 1077228855 CBEULUWOXFZCDL-RBSFLKMASA-N 316.405 -0.061 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC(=O)Nc3ccccc32)C1 1077478580 IFZOGIJKDXQPAZ-MRVWCRGKSA-N 314.345 -0.203 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN([C@@H]3CCN(C)C3=O)C[C@H]2O)C1 1077645629 PSWQXNARHLBBPX-JHJVBQTASA-N 307.394 -0.265 30 20 DBED CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)[C@@H]2CN(C)CCO2)C1 1080411366 KHEGLAQJXZNKAA-AAEUAGOBSA-N 308.382 -0.464 30 20 DBED C#CCN1CCC(C(=O)N[C@@H]2CN([C@@H](C)C(N)=O)C[C@H]2C)CC1 1080992289 CNWISFIWQYLZBV-VNHYZAJKSA-N 320.437 -0.358 30 20 DBED N#CCN[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1c1ccccc1 1081117034 NALBCOLPQKMWRM-UONOGXRCSA-N 311.349 -0.219 30 20 DBED N#CCSCC(=O)NC[C@@H]1CN(C(=O)C(F)F)C[C@H]1O 1081286703 OJXSXFFBDWICDT-HTQZYQBOSA-N 307.322 -0.556 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)CCCF)C[C@@H]1O 1081340668 GMSFWUYIJRYKIS-RYUDHWBXSA-N 302.346 -0.126 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)C2(CF)CC2)C[C@@H]1O 1081344750 URMBLHYPVNGRLH-RYUDHWBXSA-N 314.357 -0.126 30 20 DBED CCN(CC)CC(=O)NC[C@H]1CN(C(=O)C#CC(C)C)C[C@@H]1O 1081506445 SOPBBAYGSYGKCG-GJZGRUSLSA-N 323.437 -0.077 30 20 DBED C=CCOCC(=O)N1CCCC[C@H]1CNC(=O)[C@@H]1CCNC1=O 1081960348 UYGXEEFRZUTERX-QWHCGFSZSA-N 323.393 -0.178 30 20 DBED C#CCN1CC[C@@H]2CCN(C(=O)[C@@H]3CCS(=O)(=O)N3)C[C@@H]21 1085095974 VNMMNURUABYFDD-AGIUHOORSA-N 311.407 -0.766 30 20 DBED CN(C)C(=O)Cn1cc(C(=O)N(C)C[C@@H]2CCN2CC#N)nn1 1085986902 PCLFOYAVYCONKT-NSHDSACASA-N 319.369 -0.964 30 20 DBED CCN(c1cnc(C#N)cn1)[C@H](C)CNC(=O)[C@@H]1CCNC1=O 1089722969 LLEFRFWBCBJJET-ZYHUDNBSSA-N 316.365 -0.185 30 20 DBED N#CCSCC(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1O 1090395073 WQRWEVWPVIJVGM-GHMZBOCLSA-N 318.362 -0.729 30 20 DBED Cn1cnc2ccc(C(=O)N[C@@H]3CCN(CC#N)C[C@H]3O)nc21 1090573524 NDGRBKVFLHTKEN-ZWNOBZJWSA-N 314.349 -0.343 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2nccn3ccnc23)[C@@H](O)C1 1090580799 LRBSFQYOWHGIIR-STQMWFEESA-N 313.361 -0.082 30 20 DBED C=CCN1CC[C@@H](NC(=O)c2cccnc2C(N)=O)[C@@H](O)C1 1090823639 HTEMLHUFCIGJTA-NEPJUHHUSA-N 304.350 -0.469 30 20 DBED CC(C)OCC(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1091077895 PIHWDNQSNSFZLP-NEPJUHHUSA-N 305.338 -0.561 30 20 DBED CNC(=O)NCC(=O)N1CCN(c2ccncc2C#N)CC1 1093202413 QTCLKPHOOACYHB-UHFFFAOYSA-N 302.338 -0.469 30 20 DBED N#Cc1ccc(NCCNC(=O)C[C@@H]2CC(=O)NC2=O)nc1 1093717342 JCEYUDGRBQDTKL-SNVBAGLBSA-N 301.306 -0.466 30 20 DBED CC(=O)N[C@@](C)(C(=O)NCCN=c1cc[nH]c(C#N)n1)C1CC1 1093754140 HTWQJKPRKOBBLK-OAHLLOKOSA-N 316.365 -0.397 30 20 DBED CC(=O)N1CCO[C@H](C(=O)NCCNc2nccnc2C#N)C1 1093799115 LEMSVKRTYNOYMU-LBPRGKRZSA-N 318.337 -0.876 30 20 DBED CN(C)c1cnc(C(=O)NCCN=c2cc[nH]c(C#N)n2)cn1 1093888231 VQVGWTPPPOFRJN-UHFFFAOYSA-N 312.337 -0.532 30 20 DBED Cn1nnc2cc(C(=O)NCCNc3cncc(C#N)n3)cnc21 1094000093 HSKTVQPISITOOI-UHFFFAOYSA-N 323.320 -0.133 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)Cc3cncs3)CC2=O)C1 1094747246 NGNRPITWFOLUNX-LLVKDONJSA-N 318.402 -0.280 30 20 DBED CN(C)C(=O)CC(=O)N[C@H]1C[C@H](Nc2nccnc2C#N)C1 1097106632 VEFVMNKHWKDXDS-MGCOHNPYSA-N 302.338 -0.114 30 20 DBED CNS(=O)(=O)CC(=O)NC[C@H](C)Nc1ccc(C#N)cn1 1097864011 PXSXDQVNUOHNCS-VIFPVBQESA-N 311.367 -0.581 30 20 DBED C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)CN1CCNC(=O)C1 1099171366 PERNOTZEWCPKQK-CQSZACIVSA-N 320.437 -0.342 30 20 DBED CCC(=O)N[C@@H](C)C(=O)NCC[C@H](C)N=c1cc[nH]c(C#N)n1 1099745308 NEYJIMWABMXWBW-QWRGUYRKSA-N 318.381 -0.008 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)c2cc[nH]c2C)[C@H](O)C1 1099760467 JLBLHIDDSCRDAP-UONOGXRCSA-N 318.377 -0.762 30 20 DBED C#CCC1(C(=O)N[C@H]2CCN(CCO)C[C@H]2O)CCOCC1 1099874670 OSIKXHOWNNXMBB-UONOGXRCSA-N 310.394 -0.650 30 20 DBED C=CCCOCC(=O)N[C@@H]1CCN(Cc2cnon2)C[C@@H]1O 1100138809 LBOCTYTVPYOEEX-OLZOCXBDSA-N 310.354 -0.286 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)c2[nH]cnc2C)[C@@H](O)C1 1100145403 KRABKDKXHYLIDX-NEPJUHHUSA-N 321.381 -0.815 30 20 DBED CN(CCNC(=O)CCCn1ccnn1)c1cncc(C#N)n1 1100179143 LSGUXWLFANXXTN-UHFFFAOYSA-N 314.353 -0.027 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)C2=CCOCC2)C1 1100268333 UURISEIEOGWMNH-UHFFFAOYSA-N 305.378 -0.433 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)C[C@@H](C)COC)C1 1100808769 JDQSQUDHBUQVON-IYXRBSQSSA-N 309.410 -0.107 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H]2CN(C(=O)COC)C[C@]2(C)C1 1101098594 FMDQEHPGGGSXPA-IOASZLSFSA-N 307.394 -0.449 30 20 DBED CN(CCNc1ccc(C#N)nc1)C(=O)CN1CCOCC1=O 1102012142 LZGACVUJVFNGNJ-UHFFFAOYSA-N 317.349 -0.318 30 20 DBED C[C@@H]1CN(C)C[C@H](C(=O)N(C)CCN=c2cc[nH]c(C#N)n2)O1 1102020066 JZRIBSHXUZIAEC-VXGBXAGGSA-N 318.381 -0.640 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 1103477063 IRZRGHUEBQUTRA-MXWKQRLJSA-N 307.354 -0.818 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)[C@H]1CCC(=O)N1 1103901526 FHPDFXJJGJATHG-NXEZZACHSA-N 302.338 -0.787 30 20 DBED C[C@H](CNC(=O)CN1CCOCC1)CNc1cnc(C#N)cn1 1103914705 NKGQSYSAKIOOSL-LBPRGKRZSA-N 318.381 -0.155 30 20 DBED CCNC(=O)CC(=O)N(C)[C@@H](C)CN=c1cc[nH]c(C#N)n1 1104529530 ILZSREFEBXWGIE-JTQLQIEISA-N 304.354 -0.445 30 20 DBED Cc1cc(C#N)nc(N(C)CCN(C)C(=O)c2nnn(C)n2)n1 1105535811 YAEIDKVSVWVCGC-UHFFFAOYSA-N 315.341 -0.611 30 20 DBED Cc1cc(C#N)nc(N(C)CCN(C)C(=O)[C@H]2CNC(=O)N2)n1 1105541393 XZMDQIZNMPEXPO-LLVKDONJSA-N 317.353 -0.767 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H](O)CNC(=O)COCC1CC1 1105717995 GNCSJUYSBKAKMO-CYBMUJFWSA-N 304.350 -0.309 30 20 DBED C#CCCCCC(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1 1105830974 STHNYNVKRFSTML-GFCCVEGCSA-N 301.350 -0.147 30 20 DBED CCCN(C)CC(=O)NC[C@@H](O)CNc1nccnc1C#N 1105909300 GQQGNVUTXHMEPY-LLVKDONJSA-N 306.370 -0.421 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)Cc2ncc[nH]2)cn1 1105937758 QWPDNBQNAVWFGO-LBPRGKRZSA-N 300.322 -0.192 30 20 DBED COCCCOCC(=O)NC[C@H](O)CNc1cncc(C#N)n1 1105960072 XQYXVERSYIXYDM-GFCCVEGCSA-N 323.353 -0.710 30 20 DBED C[C@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)C[C@H]1CCC(=O)N1 1106376457 ZPAUXUPRJSYJRP-GHMZBOCLSA-N 316.365 -0.254 30 20 DBED C[C@@H](CCNc1nccnc1C#N)NC(=O)CCn1cnnn1 1106418126 CEMQLMBAYOQJSM-JTQLQIEISA-N 315.341 -0.268 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@H]1C 1106517758 RZSIRPSIGADBRJ-ZIAGYGMSSA-N 306.410 -0.874 30 20 DBED CC(=O)N(C)CC(=O)NC/C=C\CNc1nccnc1C#N 1107040248 XQWWTSAWSALXNQ-ARJAWSKDSA-N 302.338 -0.089 30 20 DBED C=CCO[C@H](C)C(=O)N1C[C@@H](C)[C@H](CNCc2nnnn2C)C1 1107062231 DXGSSKNCDSRKPU-JHJVBQTASA-N 322.413 -0.015 30 20 DBED C=C(C)CCC(=O)NCc1cn(C2CN(CC(N)=O)C2)nn1 1107176703 ISUWHOYYSHTKIS-UHFFFAOYSA-N 306.370 -0.407 30 20 DBED CN1C[C@H](C(=O)NC/C=C/CNc2ccc(C#N)nn2)NC1=O 1107450919 JAKPRHOYIRKSCU-KXMPLOMGSA-N 315.337 -0.544 30 20 DBED CNC(=O)NCCC(=O)N[C@H](C)CNc1cncc(C#N)n1 1107733697 QZHWVPIEEXANIR-SECBINFHSA-N 305.342 -0.416 30 20 DBED C#CCCCC(=O)NC[C@]1(C)CN([C@H]2CCNC2=O)CCO1 1107901283 MJPBFAOTUZJZDY-XJKSGUPXSA-N 307.394 -0.115 30 20 DBED CC#CCN1CCO[C@](C)(CNC(=O)C[C@@H]2CCC(=O)N2)C1 1108276778 SWVSRRZMQMXINX-XJKSGUPXSA-N 307.394 -0.115 30 20 DBED COCC#CCN1CCO[C@](C)(CNC(=O)Cc2ncc[nH]2)C1 1108305072 WCIWWXGOVXVRIV-MRXNPFEDSA-N 320.393 -0.191 30 20 DBED C=CCOCC(=O)N[C@@H](C)CN=c1cc[nH]c(C(=O)OC)n1 1108307827 WUERWRMTWCKSRU-JTQLQIEISA-N 308.338 -0.196 30 20 DBED COCC#CCN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1(C(N)=O)CC1)C2 1108751610 WHZDELOUNTVSNK-IHRRRGAJSA-N 319.405 -0.129 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)c1cnc2[nH]nnc2c1 1108753959 OMVMDGARGRLETH-QMMMGPOBSA-N 323.320 -0.333 30 20 DBED Cc1c(C(=O)N(C)CCCN=c2cc[nH]c(C#N)n2)nnn1C 1109418578 WYNOUIVBSICOFI-UHFFFAOYSA-N 314.353 -0.219 30 20 DBED C=CCOCC(=O)N[C@H]1[C@H]2C[C@H]1N(c1ccc3nnnn3n1)C2 1109702308 BRYDRYVURMULJJ-RBZYPMLTSA-N 315.337 -0.585 30 20 DBED N#Cc1cnc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)CCNC(N)=O)cn1 1109709166 WIPIWPHCQNDTLM-DFAYQTQMSA-N 315.337 -0.900 30 20 DBED CS(=O)(=O)CC(=O)NCC1(N=c2cc[nH]cc2C#N)CC1 1110073637 GQFQFJHNYKAXSZ-UHFFFAOYSA-N 308.363 -0.520 30 20 DBED CN(C)C(=O)CC(=O)N[C@@]1(C)CCN(c2nccnc2C#N)C1 1110817855 MTIUYRNFWLOXAQ-HNNXBMFYSA-N 316.365 -0.088 30 20 DBED CC(C)OCC(=O)NC[C@]1(O)CCN(c2cnc(C#N)cn2)C1 1111036149 JIWVRAVNKLIYDF-OAHLLOKOSA-N 319.365 -0.169 30 20 DBED C#CCOCCC(=O)NC[C@@]1(O)CCN(c2nccc(C)n2)C1 1111098695 UIWCCWHZPDDNCU-INIZCTEOSA-N 318.377 -0.118 30 20 DBED N#Cc1ccc(NCCN(CCO)C(=O)[C@]2(F)CCOC2)nn1 1111546387 INBMPNUDWBIYQX-AWEZNQCLSA-N 323.328 -0.290 30 20 DBED Cn1nnc(C(=O)N(CCO)CCNc2ncccc2C#N)n1 1111549168 MGVAFPZGFYUGHB-UHFFFAOYSA-N 316.325 -0.977 30 20 DBED CCNC(=O)CC(=O)N1C[C@@H](C)[C@@H](N=c2cc[nH]c(C#N)n2)C1 1112310670 QLCCSZOMKXKQFM-MNOVXSKESA-N 316.365 -0.445 30 20 DBED C#CCOCCC(=O)N[C@H](C)[C@@H](C)Nc1ccc2nnnn2n1 1113165452 KVCMNANIZSTVCT-GHMZBOCLSA-N 317.353 -0.136 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)[C@H]2CCC(=O)N2C)CC1 1113250063 LHEJOOZWAPFXBC-CHWSQXEVSA-N 322.409 -0.558 30 20 DBED C=CCNC(=O)NC(=O)CN1CCN(C(=O)[C@@H]2CC23CC3)CC1 1113379056 FFTXTDDMVOOYBJ-LBPRGKRZSA-N 320.393 -0.058 30 20 DBED C[C@H](CNC(=O)CN1CCCC1=O)N(C)c1ccnc(C#N)n1 1113489177 RJLANQNYALELAB-LLVKDONJSA-N 316.365 -0.088 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)[C@H]3CCCOC3)[C@@H]2C1 1114028250 PUXWSGLYNNAUQY-YNEHKIRRSA-N 307.394 -0.238 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)[C@@H]3CCN(C)[C@@H]3C)[C@H]2C1 1114298320 IDNPDSRKFPFDCW-MQYQWHSLSA-N 320.437 -0.325 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)c3coc(OC)n3)[C@@H]2C1 1114624318 PSFMBKYLFJVRLK-GHMZBOCLSA-N 305.334 -0.007 30 20 DBED N#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)[C@H]2C1 1114860297 YWDDNEYGZOKDDN-CGNPOWQISA-N 318.377 -0.760 30 20 DBED CCNC(=O)CCCC(=O)NC1[C@H]2CN(CC#CCOC)C[C@H]12 1115138570 WJLPGRISJPGKFI-KBPBESRZSA-N 321.421 -0.011 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@H]1[C@@H]2CN(Cc3nncn3C)C[C@@H]21 1115331684 BWLQPARRMGYEKK-CIQGVGRVSA-N 305.382 -0.047 30 20 DBED CC#CCNC1(CNC(=O)CS(=O)(=O)NC)CCCCC1 1120152750 HXVAZJLKUUWNRI-UHFFFAOYSA-N 315.439 -0.032 30 20 DBED C[C@H](CN(C)C(=O)[C@H]1C[C@H]1C(N)=O)Nc1nccnc1C#N 1120707147 WFZXASAAKHYGCP-BBBLOLIVSA-N 302.338 -0.272 30 20 DBED CNC(=O)NCC(=O)N(C)C[C@H](C)Nc1cnc(C#N)cn1 1120817071 ILBPZFLSWQWOHR-VIFPVBQESA-N 305.342 -0.464 30 20 DBED N#Cc1nc(=N[C@@H](CO)CNC(=O)c2cc(Cl)c[nH]2)cc[nH]1 1121049276 AHEYNQGOKVMCPD-SECBINFHSA-N 320.740 -0.046 30 20 DBED Cc1nonc1C(=O)NC[C@H](CO)N=c1cc[nH]cc1C#N 1121735607 XWMZGHOHWMXQSY-SNVBAGLBSA-N 302.294 -0.731 30 20 DBED Cc1conc1C(=O)NC[C@H](CO)N=c1cc[nH]cc1C#N 1121977865 VZILJMBVPBSEIF-LLVKDONJSA-N 301.306 -0.126 30 20 DBED C[C@H](CNCCNC(=O)CSCC#N)CS(C)(=O)=O 1123799235 NHWSIVOKNQEFGY-SNVBAGLBSA-N 307.441 -0.370 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1cn2c(n1)CCC2 1127648122 GIBJNFHOVRLAHQ-LLVKDONJSA-N 303.366 -0.713 30 20 DBED C=C(C)CNCc1nnc2n1CC[C@@H](NC(=O)CC(N)=O)CC2 1127983902 DTSHOGQXHRTMJG-NSHDSACASA-N 320.397 -0.360 30 20 DBED CC#CCN1CCn2ncc(CNC(=O)CS(C)(=O)=O)c2C1 1128240748 NTLYQZGZLVEYGA-UHFFFAOYSA-N 324.406 -0.617 30 20 DBED C=C(C)CCC(=O)NCCNCC(=O)N1CCC[C@H](C(N)=O)C1 1128414290 XNEQSRSKMWVXDX-ZDUSSCGKSA-N 324.425 -0.228 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H](n2ccnn2)[C@H](NC(=O)CC)C1 1128602877 ZXRHTZVBLVENQW-XQQFMLRXSA-N 318.381 -0.833 30 20 DBED C=C(C)CCC(=O)N[C@@H]1CN(CC(N)=O)C[C@@H]1n1ccnn1 1129024993 CUZBMEPQSMIOAQ-NEPJUHHUSA-N 306.370 -0.539 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)C(=O)NCC2CC2)C1 1129353417 OQPCOCRKCACVKI-OLZOCXBDSA-N 318.381 -0.668 30 20 DBED C[C@H]1CN(C(=O)CC(=O)N(C)C)C[C@@]2(CCN(CC#N)C2)O1 1131692372 GVOPVTDSZCRUCA-WFASDCNBSA-N 308.382 -0.320 30 20 DBED C=C[C@](C)(CCOC)C(=O)NCCN[C@@H]1CCC(=O)NC1=O 1131870658 WYXHRDHSKAGUKI-IAQYHMDHSA-N 311.382 -0.274 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](C)[C@H](CNCCCO)C1 1132769104 KICWYVJRSOEQPA-UONOGXRCSA-N 309.410 -0.418 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@@H]1CCCc2nn(C)cc21 1132926595 HEOLNYKLUFYTQI-GFCCVEGCSA-N 319.409 -0.152 30 20 DBED CCOC1CC2(C1)C[C@@H]2C(=O)NCCNCC(=O)NCC#N 1133793117 JFBKOFZUHPJQNJ-MQYJIDSJSA-N 308.382 -0.463 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)Cc1cnoc1 1135265815 FKZYYAKQALJDLR-NWDGAFQWSA-N 306.366 -0.161 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)Cn1ccnc1C 1146333312 NRGGEMPHTWPNIH-OLZOCXBDSA-N 319.409 -0.186 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)CN1CCCC1 1146341398 XPESJDWAIUOIJK-KBPBESRZSA-N 308.426 -0.296 30 20 DBED CC[C@H]1C[C@@H](CC(=O)NCCNCC(=O)NCC#N)CCO1 1146960227 UCHBVOZHUJEOIJ-STQMWFEESA-N 310.398 -0.073 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC2(CN(C(=O)[C@@H](C)C#N)C2)C1 1147256464 UUMNTEAZINEVBS-STQMWFEESA-N 302.378 -0.182 30 20 DBED N#CCN1CCCO[C@H](CNC(=O)C[C@@H]2CCCC(=O)N2)C1 1149959637 GLTCJTRPAGXRHI-QWHCGFSZSA-N 308.382 -0.224 30 20 DBED COCC#CCN1CCCO[C@H](CNC(=O)c2cnn(C)n2)C1 1150434831 DREHTKWHOATCML-CYBMUJFWSA-N 321.381 -0.714 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)c1cccc(O)n1 1152573805 LVLPPXRDTLQTHP-LLVKDONJSA-N 319.365 -0.133 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)CCc1cnc[nH]1 1153760587 QTACOOWMCKVLCQ-GFCCVEGCSA-N 320.397 -0.191 30 20 DBED C#CCCN(CC)[C@H](C)CNC(=O)CNS(=O)(=O)N(C)C 1155528631 OEPRPDRNCIMIRW-GFCCVEGCSA-N 318.443 -0.768 30 20 DBED C=CCN(CC)[C@H](C)CNC(=O)Cn1ncn2nccc2c1=O 1155572536 PVKPKNCPMITROI-GFCCVEGCSA-N 318.381 -0.096 30 20 DBED C#CCCN(CC)[C@H](C)CNC(=O)C[C@H](NC(C)=O)C(N)=O 1155654683 YIMQKWANHARPGQ-YPMHNXCESA-N 310.398 -0.784 30 20 DBED C#CCO[C@@H](C)C(=O)NCCCN[C@@H]1CCN(CC=C)C1=O 1157874558 SSNXWNFTXLTPMB-UONOGXRCSA-N 307.394 -0.093 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)[C@@]23COC[C@@H]2C3)C1=O 1158458824 TYCRCFSEVLHHHC-ZENOOKHLSA-N 307.394 -0.094 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1ccn(CC(C)C)n1 1159059728 UUYBKPCUZBTOQY-UHFFFAOYSA-N 319.409 -0.002 30 20 DBED C=CCNC(=O)CNCCCNC(=O)c1cnn2ncccc12 1160048341 WQZHYRNOWRPVEW-UHFFFAOYSA-N 316.365 -0.259 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)c1ccc(=O)n(C)c1 1161735902 DSGMFDZOANXMJQ-GFCCVEGCSA-N 320.393 -0.215 30 20 DBED C=C[C@](C)(CCOC)C(=O)NCCCNCC(=O)NC(N)=O 1163344440 GXJRHCHIZRDASS-CQSZACIVSA-N 314.386 -0.494 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@H](C)c1c(C)n[nH]c1C 1168585458 CSCAIHXLYGLOOT-LLVKDONJSA-N 319.409 -0.025 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)[C@H]1C 1178422353 HUKFSJBNYBPADW-AAEUAGOBSA-N 313.361 -0.172 30 20 DBED C=CCCC(=O)N1CC[C@@H](NCC(=O)N[C@H](C)C(=O)N(C)C)C1 1181543127 MHOCXBNUFYLODN-CHWSQXEVSA-N 324.425 -0.264 30 20 DBED C=CCNC(=O)CNC[C@H]1CCN(C(=O)CNC(C)=O)C[C@H]1C 1183735763 PARCSEXSMXGTAL-TZMCWYRMSA-N 324.425 -0.501 30 20 DBED C=CCOCC(=O)N1CC[C@H]2CN([C@@H]3CCC(=O)NC3=O)C[C@H]21 1187319928 FXLJGHMEYOLFKI-YNEHKIRRSA-N 321.377 -0.473 30 20 DBED CN(CC(=O)NCC#N)[C@H]1CCN(C(=O)c2cnn(C)c2)C1 1188805029 ZDLWLWMBTDBURD-LBPRGKRZSA-N 304.354 -0.794 30 20 DBED C[C@@H]1CCO[C@@H]1C(=O)N1CC[C@@H](N(C)CC(=O)NCC#N)C1 1192424795 BFMSNRVAAKJCFE-BZPMIXESSA-N 308.382 -0.416 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)C2CCC(O)CC2)C1 1192570877 DKVNBNNEJDJYJN-NEXFUWMNSA-N 312.410 -0.099 30 20 DBED Cc1cc(C)c(C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@H]2O)[nH]1 1194126566 DOQNZCLMSKZPMC-VXGBXAGGSA-N 319.365 -0.954 30 20 DBED C#CCO[C@H](C)C(=O)N1CCCN([C@@H](C)C(=O)NC(N)=O)CC1 1195805953 IOAPRORRWWYELX-NWDGAFQWSA-N 324.381 -0.858 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)c2cnn(CCCOC)c2)C1 1197644323 KMGIWWIWINFTKU-HUUCEWRRSA-N 320.393 -0.282 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)C(C)(C)NC(=O)NCCC)C1 1199042743 KYIDBRUDXZTGBN-CHWSQXEVSA-N 324.425 -0.341 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)CS(C)(=O)=O)CCCO1 1199998233 FKVSQYHPSVMXBY-GFCCVEGCSA-N 302.396 -0.739 30 20 DBED C=CCOCC(=O)N1CCCO[C@H](CNCc2cnnn2C)C1 1200109402 SDCRMKBYPHPIPJ-CQSZACIVSA-N 323.397 -0.275 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)[C@H]2COCCN2C)CCCO1 1200312036 RFVCEQCQOJGOIU-HUUCEWRRSA-N 309.410 -0.453 30 20 DBED C#CCCNC[C@H]1CN(C(=O)C[C@@H](C)NC(N)=O)CCCO1 1200509888 IAWKCBXHADLAPG-OLZOCXBDSA-N 310.398 -0.336 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC(NCCN2CCNC2=O)CC1 1200531452 CSBUTIJCEHFBQG-ZDUSSCGKSA-N 322.409 -0.370 30 20 DBED C#CCNC[C@H]1CN(C(=O)[C@@H](C)N2C(=O)CCC2=O)CCCO1 1200635899 XMCQRXAMKKRVER-OLZOCXBDSA-N 321.377 -0.636 30 20 DBED CCn1cc(CC(=O)N2CCCO[C@H](CNCC#N)C2)nn1 1201041329 BFSVKCXSMPDOEQ-CYBMUJFWSA-N 306.370 -0.429 30 20 DBED CC(C)N1CCO[C@@H](C(=O)N2CCCO[C@@H](CNCC#N)C2)C1 1201245705 LRDHDAHWHBVMNU-LSDHHAIUSA-N 324.425 -0.174 30 20 DBED N#CCNC(=O)CNCC1CCN(C(=O)Cc2cnc[nH]2)CC1 1206402027 KHWGYLWLAZXRBL-UHFFFAOYSA-N 318.381 -0.580 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)c2cncn2C)[C@H](C)C1 1207874490 LQPMEHKGZJQOIZ-VXGBXAGGSA-N 305.382 -0.228 30 20 DBED C#CCOCCC(=O)N1CCC[C@H](NCc2ncnn2C)C1 1208031623 APZSXQRVJCUHCA-ZDUSSCGKSA-N 305.382 -0.064 30 20 DBED CCN1CCO[C@@H](C(=O)N2CCC[C@H](NCC#CCOC)C2)C1 1211177540 WZPCGJSMXMJZMQ-JKSUJKDBSA-N 323.437 -0.063 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)CCSC)[C@H](OC)C1 1211817303 OTJHUGRJGLFDSP-VXGBXAGGSA-N 313.423 -0.696 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)c2cnc(C)[nH]2)[C@H](OC)C1 1212017873 UEGVPDOTSTURRT-CHWSQXEVSA-N 321.381 -0.551 30 20 DBED C[C@@H](N[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C)c1nnnn1C 1214173879 NYXUCIGVBOBSLZ-GMTAPVOTSA-N 323.426 -0.036 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H](C)CC 1217296979 ZMLHEDLMIGIKFG-HZSPNIEDSA-N 307.394 -0.307 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)C2(N(C)C)CCC2)C1 1219802390 LXOZJIVVTGEJRN-KGLIPLIRSA-N 311.426 -0.165 30 20 DBED CC[C@@H](C)CCC(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@@H]1O 1220594275 XBLRDHJDQRADDS-UPJWGTAASA-N 310.398 -0.386 30 20 DBED CC#CCN1CC[C@@H]2CN(C(=O)CN(C)C(=O)COC)[C@@H]2C1 1221593037 IKZCTOCCQJCEMP-ZIAGYGMSSA-N 307.394 -0.353 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)Cc2cnn(C)c2)CC1 1226464072 ZRNMDLKIQIMFJO-UHFFFAOYSA-N 317.393 -0.707 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)C[C@@H]1CCCO1 1230865721 HUPXSVGRGQNGOX-KBPBESRZSA-N 307.394 -0.162 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)C[C@](C)(O)C=C 1233979085 YEIUGQUANYRYEF-XJKSGUPXSA-N 307.394 -0.404 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)CCc1ncc[nH]1 1234009989 ACXKDHUQISVPJU-CYBMUJFWSA-N 317.393 -0.376 30 20 DBED C#CCNC(=O)[C@H](C)N(C)CCCNC(=O)CCn1cncn1 1234035928 UVUXNZIYPNUUCY-ZDUSSCGKSA-N 320.397 -0.756 30 20 DBED CCO[C@H](C(=O)N(C)C[C@H]1CCN1CC(=O)NCC#N)C1CC1 1234333111 JAOCNHOHJVLXCD-HIFRSBDPSA-N 322.409 -0.026 30 20 DBED COCCN(CCOC)C(=O)C(=O)Nc1cnn(CC#N)c1 1255417813 ZWGKBVYGEWLZRD-UHFFFAOYSA-N 309.326 -0.533 30 20 DBED C#C[C@H](C)NC(=O)C(=O)Nc1cccnc1N1CCOCC1 1255507672 BDLLDLRCJUHTFF-NSHDSACASA-N 302.334 -0.005 30 20 DBED C[C@H](N)C[C@H](C)NC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1262033724 IBWMRBKDAMWGJP-GVXVVHGQSA-N 307.398 -0.573 30 20 DBED C#CCNC[C@H]1CCCN1C(=O)C1(n2cnnn2)CCOCC1 1267966452 ZLDRRJYMDGTCIR-CYBMUJFWSA-N 318.381 -0.607 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@H](NC(=O)C2(COC)CC2)C1 1269042502 YLJYFFOKVANZLO-STQMWFEESA-N 307.394 -0.259 30 20 DBED CC(C)(C)[S@](=O)CCNC(=O)C(=O)N1CCO[C@H](C#N)C1 1323432125 NEOBATNOMRGSHI-LADRHHBVSA-N 315.395 -0.599 30 20 DBED N#C[C@]1(F)CCN(C(=O)C(=O)N2CC(=O)N[C@H]3CCCC[C@@H]32)C1 1325190399 YDRSOGOSDMYXKS-ZIBATOQPSA-N 322.340 -0.280 30 20 DBED C=CC[C@H](NC(=O)CN1C(=O)C(=O)N(C)C1=O)C(=O)OCC 1325352970 WUIMDEVZIYIWPQ-QMMMGPOBSA-N 311.294 -0.969 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@H]1CCS[C@H]1C 1326438456 OICKRTNGAVPWKA-UWVGGRQHSA-N 320.436 -0.286 30 20 DBED C[C@@H](CNC(=O)C(=O)N1CCC[C@H](CC#N)C1)S(C)(=O)=O 1328070495 VSUCKIAMTKZPOJ-WDEREUQCSA-N 315.395 -0.312 30 20 DBED C=CCCC(=O)N1CCC(O)(CNC[C@H](O)COC)CC1 1328156558 YEHVEDQPQRQSDF-ZDUSSCGKSA-N 300.399 -0.097 30 20 DBED CN1C(=O)CC[C@@H](NC(=O)C(=O)N2CCC[C@@H](CC#N)C2)C1=O 1328207993 BUGNYKYESKOJLB-WDEREUQCSA-N 320.349 -0.598 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CC=C(C)CC1 1329814357 PRFGGINRHRIODV-UHFFFAOYSA-N 300.380 -0.118 30 20 DBED C=CCn1c(CCO)nnc1N(C)[C@H](C)CS(C)(=O)=O 1342415541 LARKLXVYHUVTAX-SNVBAGLBSA-N 302.400 -0.132 30 20 DBED CN(C)C(=O)CN1CCN(C(=O)C(=O)NCCCCC#N)CC1 1346119217 SLGUUQXAEUXTEG-UHFFFAOYSA-N 323.397 -0.971 30 20 DBED CO[C@H]1CN(C(=O)CCn2cc(C#N)c(O)nc2=O)CCO1 1362352823 PNKNGODZVVNVDD-LLVKDONJSA-N 308.294 -0.958 30 20 DBED C=C(Cl)CN[C@H]1C[C@H](CNC(=O)CN2CCNC(=O)C2)C1 1368577033 ZQKIEVUYPBCLPB-HAQNSBGRSA-N 314.817 -0.345 30 20 DBED C=C(Cl)CNCC1(O)CCN(C(=O)CCNC(N)=O)CC1 1377354868 CASWGXUPPHPCKG-UHFFFAOYSA-N 318.805 -0.260 30 20 DBED C[C@@H](CNC(=O)CO[C@@H]1CCOC1)NC(=O)c1cc(C#N)c[nH]1 1386773967 OMCRDAXDBBXJIT-CMPLNLGQSA-N 320.349 -0.074 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1ccc2n[nH]cc2c1 1392157534 HQSYOSZMDAYMLZ-JOYOIKCWSA-N 315.333 -0.071 30 20 DBED COCCN(CCNC(=O)[C@H](C)C#N)C(=O)c1c[nH]c(=O)cn1 1405765838 WUNQWDLSQYVOKK-SNVBAGLBSA-N 321.337 -0.866 30 20 DBED CCCN(C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1O 1406397684 USGWGPVGASEIGQ-XQQFMLRXSA-N 310.398 -0.434 30 20 DBED C[C@@H](CNC(=O)c1cnc2[nH]nnc2c1)NC(=O)[C@@H](C)C#N 1408205297 CNCWKENGHJPXTJ-YUMQZZPRSA-N 301.310 -0.253 30 20 DBED COc1cc(C#N)ccc1CN1C[C@@H](C(N)=O)[C@H](C(N)=O)C1 1414017349 NVMIPUCJSDZWHI-VXGBXAGGSA-N 302.334 -0.415 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H]1CNC(=O)CN1CCOCC1 1415748981 ORHXFAIJNDSRNY-STQMWFEESA-N 308.382 -0.415 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)Cn1cc(Cl)cn1 1416757063 JCPALKOXWOEJDA-WPRPVWTQSA-N 313.745 -0.711 30 20 DBED C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)Cn1cc(C#N)c(O)nc1=O 1417650662 QGXJTDUPDPMFSK-JQWIXIFHSA-N 319.365 -0.381 30 20 DBED Cc1nnsc1CNC[C@@H](O)CNC(=O)c1cc(C#N)c[nH]1 1420107175 KGHSWUHSAYARCE-SNVBAGLBSA-N 320.378 -0.073 30 20 DBED C[C@H](CCNC(=O)c1cc(C#N)c[nH]1)NC(=O)c1cnn[nH]1 1428994769 MVCBNPQWBYKUJO-MRVPVSSYSA-N 301.310 -0.057 30 20 DBED COc1ccc(CC(=O)NC[C@H](O)CNC(=O)[C@@H](C)C#N)nc1 1431566245 KMMNRHQEFWVVCC-JQWIXIFHSA-N 320.349 -0.614 30 20 DBED CNC(=O)NCC(=O)NCCC1CCN(C(=O)[C@H](C)C#N)CC1 1457152147 FUBCUJVCYKUJTJ-LLVKDONJSA-N 323.397 -0.180 30 20 DBED COc1ncc(NC(=O)CN2CCS(=O)(=O)CC2)cc1C#N 1462896604 ZGGNRLGOGUKIJS-UHFFFAOYSA-N 324.362 -0.369 30 20 DBED Cc1nc(C#N)c(N2CCC(C(=O)N[C@@H]3COC[C@H]3O)CC2)o1 1468100457 RKSUWIIKNNLNAQ-CHWSQXEVSA-N 320.349 -0.053 30 20 DBED N#Cc1ccc(S(=O)(=O)N2CCC(CO)(CO)CC2)o1 1475654902 NJJOYBSVNBJUMQ-UHFFFAOYSA-N 300.336 -0.093 30 20 DBED C=C(Cl)CN1CC(CNC(=O)CCn2ncn(C)c2=O)C1 1481636149 DABJTLWEYMSOKZ-UHFFFAOYSA-N 313.789 -0.228 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](C)CNC(=O)CS(=O)(=O)C(C)(C)C 1494875292 REYUWWBODXJRDK-VHSXEESVSA-N 317.411 -0.020 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC(NC(=O)CCc3cnn[nH]3)C2)c1 1498420828 JFUOAQCACJBBGF-UHFFFAOYSA-N 313.321 -0.422 30 20 DBED C[C@@H](C#N)C(=O)NCC1CN(C(=O)c2cccc(=O)n2C)C1 1498677362 JFIBXSXKCSZZDQ-JTQLQIEISA-N 302.334 -0.267 30 20 DBED C[C@H](C#N)C(=O)NCCN1CCN(C(=O)[C@]2(C)CCOC2)CC1 1524095008 QZCLMXLKPNTIAQ-CZUORRHYSA-N 322.409 -0.167 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)c2ccnc(C)n2)C1 1567900310 NOVXYALGYQQFSR-GFCCVEGCSA-N 303.366 -0.109 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCN(Cc3cnn[nH]3)[C@@H]2C)nn1 1575112598 VTDNGSYKPJVSNY-PWSUYJOCSA-N 316.369 -0.025 30 20 DBED CN1CCN(C)[C@@H](CNc2cnc(C#N)c(-c3nn[nH]n3)n2)C1 1579374989 MOMZAQHLHFFLLH-VIFPVBQESA-N 314.357 -0.814 30 20 DBED C#C[C@@H]1COCCN1C(=O)C(=O)N1CCC2(CC1)C[C@@H]2C(=O)O 1588384069 UJZQWFWWPUZTQJ-VXGBXAGGSA-N 320.345 -0.440 30 20 DBED C#CCN(CC(=O)O)c1nnc(C[C@H](C)O)n1C[C@H]1CCCO1 1588426817 CYSXUOGJWUYEBA-NWDGAFQWSA-N 322.365 -0.095 30 20 DBED CCOC(=O)[C@H](C)N(C)c1cnc(C#N)c(-c2nn[nH]n2)n1 1590770793 LCYRGCYXXLSXMN-ZETCQYMHSA-N 302.298 -0.084 30 20 DBED N#CCSCC(=O)NS(=O)(=O)c1cc(C(=O)O)no1 1594611538 SSNSXAIJSGUBKU-UHFFFAOYSA-N 305.293 -0.566 30 20 DBED COCCOC[C@@H](C)Nc1cnc(C#N)c(-c2nn[nH]n2)n1 1605109091 CEGIBUCQHHZCBL-MRVPVSSYSA-N 304.314 -0.008 30 20 DBED N#Cc1nc(N2CCc3[nH]nc(N)c3C2)cnc1-c1nn[nH]n1 1606389588 QOBQWVBGJHXAJJ-UHFFFAOYSA-N 309.297 -0.604 30 20 DBED N#Cc1c[nH]c(C(=O)N2CCN(C(=O)[C@@H]3C[C@@H]3C(=O)O)CC2)c1 1608195094 GDQRBYPMFVYPPZ-MNOVXSKESA-N 316.317 -0.109 30 20 DBED N#Cc1cncc(S(=O)(=O)NC[C@H]2CCO[C@H]2C(=O)O)c1 1608222963 OTFOZPDZDMNWSB-MWLCHTKSSA-N 311.319 -0.279 30 20 DBED COCC(=O)NCCC(=O)N1CCN([C@H](C#N)C(C)C)CC1 1647085407 KUCXEAVLNZMIMM-CYBMUJFWSA-N 310.398 -0.169 30 20 DBED CN(C)S(=O)(=O)N(C)CC(=O)NCc1ccc(C#N)cn1 1647252674 FWJJOVPEECXZSQ-UHFFFAOYSA-N 311.367 -0.692 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@@H](NC(=O)c2coc(C)n2)C1 1713969413 XZEXQPYPJFUCIN-ZYHUDNBSSA-N 304.350 -0.075 30 20 DBED C=CCNC(=O)CN(C)CCCNC(=O)c1cncnc1O 1751998745 CMZVHDSMDHYVHP-UHFFFAOYSA-N 307.354 -0.464 30 20 DBED C=CCNC(=O)CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1752745393 GURRJJLWFMVGGT-YECZKKJWSA-N 319.405 -0.051 30 20 DBED C#CCN1CCC[C@H]([C@H](C)NC(=O)Cn2ccc(O)nc2=O)C1 1752837144 RDIICRZLGJUERF-STQMWFEESA-N 318.377 -0.201 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H](C)CNC(=O)c1conc1COC 1752913638 LBAXHAURRNQZFT-GHMZBOCLSA-N 322.365 -0.333 30 20 DBED C=CCN1CC[C@H](N(CC)C(=O)C[C@H](NC(C)=O)C(N)=O)C1 1753458963 LVNBVZGGXFKKNX-STQMWFEESA-N 310.398 -0.525 30 20 DBED C[C@H](C#N)C(=O)N[C@@](C)(CNCCN1C(=O)CNC1=O)C1CC1 1753515320 YDUBRLQDRWRDTD-BMIGLBTASA-N 321.381 -0.428 30 20 DBED Cn1cccc1C(=O)N[C@@H](CNCC(=O)NCC#N)C1CC1 1754433426 GBCLRDNFYVNTIK-LBPRGKRZSA-N 303.366 -0.237 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@H]1CNC(=O)CC1(O)CCC1 1754483622 LLKGCEGGRZNHQD-OLZOCXBDSA-N 307.394 -0.380 30 20 DBED CCC[C@@H](C)C(=O)NC[C@]1(O)CCN(CC(=O)NCC#N)C1 1754749082 AXWRKXCYDWFXKP-IUODEOHRSA-N 310.398 -0.385 30 20 DBED COc1cncc(CN2CC(O)(CNC(=O)C#CC(C)C)C2)n1 1754767367 KYJOIUKZEVCEML-UHFFFAOYSA-N 318.377 -0.193 30 20 DBED C#CCCN1CCOC[C@@H]1CNC(=O)C(C)(C)S(C)(=O)=O 1754971888 CAXVWSXSXPSYPB-LBPRGKRZSA-N 316.423 -0.350 30 20 DBED CC(C)(C)C(=O)NCC(=O)N1CCOC2(CN(CC#N)C2)C1 1755051179 OBJONEGHKKGCCJ-UHFFFAOYSA-N 308.382 -0.415 30 20 DBED C=CCNC(=O)CN[C@H]1CN(C(=O)c2cnns2)C[C@H]1C 1755102790 BGBAOTUHDUWCAT-ZJUUUORDSA-N 309.395 -0.110 30 20 DBED C#CCCN(C)C[C@H]1CCCN1C(=O)CS(=O)(=O)N(C)C 1755201334 RFUNMVXMIWSZDQ-CYBMUJFWSA-N 315.439 -0.176 30 20 DBED C=CCNC(=O)CN[C@@H](C)[C@H](C)NC(=O)C(=O)NCC1CC1 1755260046 LOBMZWKSUIVMRP-QWRGUYRKSA-N 310.398 -0.702 30 20 DBED C[C@@H](CNC(=O)C#CC1CC1)N(C)CCNS(C)(=O)=O 1755299870 HTPDRBUKBVWCQG-NSHDSACASA-N 301.412 -0.615 30 20 DBED C=CCCN(C)[C@@H](C)CNC(=O)c1cn(C)c(=O)n(C)c1=O 1755319272 GZPVQTZDQUDCRM-NSHDSACASA-N 308.382 -0.290 30 20 DBED COCC#CCN1CC([C@@H](C)NC(=O)C[C@H]2CC(=O)NC2=O)C1 1755392866 YKZKTQGMSJYYPY-NEPJUHHUSA-N 321.377 -0.875 30 20 DBED CC(C)[C@@H](O)C(=O)N(C)[C@H](CNCC(=O)NCC#N)C1CC1 1755573694 WDLFKDWOVLRZIV-TZMCWYRMSA-N 310.398 -0.530 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)CN2CCCC2)[C@H]1C 1755667284 RMSDHSKIOLLJHI-UONOGXRCSA-N 306.410 -0.589 30 20 DBED C#CCNC(=O)CN(C)C[C@H](O)CN(C)C(=O)c1ccco1 1755797818 JLZYISXPNJETBI-LBPRGKRZSA-N 307.350 -0.606 30 20 DBED C#CCOCCC(=O)NC[C@H](C)N(C)C(=O)[C@H](C)n1cncn1 1756028100 XYGQLFMGZSSFDA-STQMWFEESA-N 321.381 -0.158 30 20 DBED C=CCOCC(=O)NC1CC(N(C)C(=O)CN2CCCC2=O)C1 1756733948 JAOXRRLJUBZLCI-UHFFFAOYSA-N 323.393 -0.083 30 20 DBED CC(C)(C)C#CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnns2)C1 1756981015 NRYGVOSTORRTAQ-NXEZZACHSA-N 322.390 -0.111 30 20 DBED C=C(C)C[C@@H](C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ncn(C)n2)C1 1756992948 JITGRCHVOYXMCQ-IJLUTSLNSA-N 321.381 -0.281 30 20 DBED CC(C)(C)C#CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccnnc2)C1 1757039090 HQYKAKHCNHODPT-CHWSQXEVSA-N 316.361 -0.172 30 20 DBED C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H]2C[C@@H](O)C2)C1 1778766103 VIQZFENNVONBGY-UMPJEAMMSA-N 320.389 -0.096 30 20 DBED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](C)CN)C2 1781694297 PZMPADNNARKOKV-WOSRLPQWSA-N 307.394 -0.272 30 20 DBED CNC(=O)CC(=O)N1CCCC12CN(C(=O)C(C)(C)C#N)C2 1841560166 FXKZWRMBAIVUHV-UHFFFAOYSA-N 306.366 -0.124 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)[C@H](C)CN)C2 1841599510 UHYHRJDTSOZADN-OLZOCXBDSA-N 307.394 -0.177 30 20 DBED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)c2cnccn2)C1 1842384910 LYWCXCGWOWEVMB-UHFFFAOYSA-N 314.301 -0.618 30 20 DBED N#Cc1ccc(Cl)cc1S(=O)(=O)N[C@@H](CO)C(=O)O 37420280 DRZJHUXYVHNBDS-QMMMGPOBSA-N 304.711 -0.065 30 20 DBED Cc1noc(C/N=C(/N)N2CCN(c3ncccn3)CC2)n1 262000484 PMRVDQCJUDNIBI-UHFFFAOYSA-N 302.342 -0.195 30 20 DBED CCNC(=O)[C@@H](C)NC(=O)CNC(=O)c1ccc(C#N)cc1 263721351 BHBIVKUFLUOUFL-SNVBAGLBSA-N 302.334 -0.071 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@H](COC)C2)C1=O 265929277 ABWGAOXACMXEII-SNVBAGLBSA-N 309.322 -0.542 30 20 DBED CC(C)OC(=O)[C@H](C)N(C)c1c(C#N)c(=O)n(C)c(=O)n1C 268557478 CRUJHQUEUWAGRY-VIFPVBQESA-N 308.338 -0.268 30 20 DBED C=C[C@@H](CO)NC(=O)N[C@H]1CCN(c2cc(C)nn2C)C1=O 291131491 WHPPHESNJBEEDG-QWRGUYRKSA-N 307.354 -0.320 30 20 DBED C[C@H](NC(N)=O)C(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 292362346 YBBPMZWTKJZOAZ-ONGXEEELSA-N 303.322 -0.010 30 20 DBED COc1ccc(N=C(O)N2CCN3C(=O)C(=O)NC[C@@H]3C2)cn1 330027114 MOZWFQDGPDEEGW-SNVBAGLBSA-N 319.321 -0.722 30 20 DBED C[C@@H](CN1CCN(C)CC1)NS(=O)(=O)N(C)[C@H](C)CC#N 330409219 JYEQRRFZBSKSQT-QWHCGFSZSA-N 317.459 -0.309 30 20 DBED N#Cc1ncccc1S(=O)(=O)NCCCCS(N)(=O)=O 336834395 QVRMLEPQFHMJII-UHFFFAOYSA-N 318.380 -0.700 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CCC(O)(C(=O)OC)CC1 336933194 DCOXIBBBMZNEJC-UHFFFAOYSA-N 319.383 -0.533 30 20 DBED CC[C@@H](C)N(C)CCNS(=O)(=O)N1CCO[C@H](C#N)C1 337094928 PKEPTSKJVSHBPC-VXGBXAGGSA-N 304.416 -0.225 30 20 DBED C[C@@H]1CN(S(=O)(=O)N2CCO[C@H](C#N)C2)C[C@@H](C2CC2)O1 337167256 CHKKSMLBITXKKH-RTXFEEFZSA-N 315.395 -0.045 30 20 DBED C=CCN(C(=O)CN(C)C(=O)COC)[C@@H]1CCS(=O)(=O)C1 340095957 URTJRISCRQXMGA-LLVKDONJSA-N 318.395 -0.707 30 20 DBED C=C(C)CN(C)C(=O)C(=O)NCCS(=O)(=O)N(CC)CC 344051952 DANFVRNEFZGENL-UHFFFAOYSA-N 319.427 -0.191 30 20 DBED C=CCNC(=O)CNC(=O)c1cnc2nc(O)nc(O)c2c1 347889356 NJLNCTPDLFXUMB-UHFFFAOYSA-N 303.278 -0.532 30 20 DBED CN(CC(N)=O)C(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1 352524392 QRFRKHKSFVLCJI-CYBMUJFWSA-N 314.345 -0.007 30 20 DBED N#CCNC(=O)CNS(=O)(=O)N1CC[C@H]2CCCC[C@H]2C1 352538038 DMJHXCPYOWZYHB-NEPJUHHUSA-N 314.411 -0.027 30 20 DBED C[C@H](C#N)NC(=O)[C@](C)(O)CN1C(=O)NC2(CCCC2)C1=O 356570464 XRPXJIZRHCOILC-NOZJJQNGSA-N 308.338 -0.370 30 20 DBED N#Cc1c[nH]c(C(=O)NCC(=O)NCCN2CCOCC2)c1 360146550 BZIYJODTFLALMI-UHFFFAOYSA-N 305.338 -0.935 30 20 DBED COC(=O)C[C@@]1(NS(=O)(=O)N(C)CCC#N)CCOC1 361975958 YXUJUJYXLDWEKL-NSHDSACASA-N 305.356 -0.612 30 20 DBED CCC[C@H](O)[C@H](CO)NC(=O)CNC(=O)c1ccc(C#N)cc1 412542667 WQBNADQQWRNFRH-KBPBESRZSA-N 319.361 -0.074 30 20 DBED C=CCn1cc(CNC(=O)c2cn(C[C@H]3CCCN3)nn2)nn1 424202905 BCYXVSFEEHXCSP-LLVKDONJSA-N 316.369 -0.262 30 20 DBED CCOC(=O)[C@](C)(O)CNS(=O)(=O)c1cccnc1C#N 428423674 PPGGWVLOIIUSKM-GFCCVEGCSA-N 313.335 -0.454 30 20 DBED CC(C)NC(=O)C(=O)N1CCN(C(=O)NC[C@H](C)C#N)CC1 542874616 MQNIUFHAHAPNGS-LLVKDONJSA-N 309.370 -0.476 30 20 DBED C=C[C@@H]1OCCC[C@H]1NCC(=O)c1c(N)n(C)c(=O)n(C)c1=O 562552216 KCQFVUPEZFJMNT-KOLCDFICSA-N 322.365 -0.828 30 20 DBED COCCN1CCN(C(=O)C(=O)Nc2cccc(C#N)n2)CC1 564948101 SZRGPJCKJZAKLM-UHFFFAOYSA-N 317.349 -0.318 30 20 DBED CN(C)c1cc(C#N)cc(C(=O)N[C@]2(C(N)=O)CCOC2)c1 569624162 RRUWDCJHNQGHIX-OAHLLOKOSA-N 302.334 -0.002 30 20 DBED C=CCN(CC=C)C(=O)CN1C(=O)N[C@@]2(CCCNC2)C1=O 572518284 JTQWRLPKGMISHQ-OAHLLOKOSA-N 306.366 -0.139 30 20 DBED C[C@@H]1CCN(C(=O)C(=O)N2CCO[C@@H](C#N)C2)C[C@H]1C(=O)O 577394442 ARRLGZCKUWKYPU-OUAUKWLOSA-N 309.322 -0.693 30 20 DBED N#CCCCCCC(=O)N1CCN(CCS(N)(=O)=O)CC1 588624086 KFQCIHRXGBDQIG-UHFFFAOYSA-N 316.427 -0.107 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H](CO)[C@H]1CCCOC1 594783405 GJCTZUQXYDJMPW-WOPDTQHZSA-N 305.400 -0.300 30 20 DBED CO[C@@H]1CS(=O)(=O)C[C@@H]1NS(=O)(=O)CC1(CC#N)CC1 594823130 RVHXTXLCUVKTED-VHSXEESVSA-N 322.408 -0.588 30 20 DBED CO[C@@H]1CS(=O)(=O)C[C@@H]1N1CCN([C@@H](C#N)C(C)C)CC1 595397925 MSXCHLPXIHUGNT-MELADBBJSA-N 315.439 -0.036 30 20 DBED Cc1c(C#N)cccc1NC(=O)C(=O)NC[C@H]1COCCN1 599900160 RYFXRTXKOFGSOO-LBPRGKRZSA-N 302.334 -0.090 30 20 DBED COC(=O)[C@H](COC(C)C)N(C)S(=O)(=O)N(C)CCC#N 610803390 TWEHIWACRHCCKG-NSHDSACASA-N 321.399 -0.025 30 20 DBED N#CCc1cccc(S(=O)(=O)N2CCN(C(=O)CO)CC2)c1 619495130 SNZXAZDUUVZAMV-UHFFFAOYSA-N 323.374 -0.422 30 20 DBED CC#CC[C@@H](CO)NC(=O)C(=O)Nc1cc(C(N)=O)ccc1F 646953835 ICYPBKORGRZDML-JTQLQIEISA-N 321.308 -0.246 30 20 DBED Cn1c(N)c(C(=O)CN2CCC[C@](C)(C#N)C2)c(=O)n(C)c1=O 680106340 XIHDAFFQIBWAFD-OAHLLOKOSA-N 319.365 -0.525 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)COC2(C)CCC2)CC1 746160789 KTWLLYFGHQNFLV-UHFFFAOYSA-N 307.394 -0.161 30 20 DBED C#CCOCCNC(=O)[C@H](O)[C@@H](O)c1nc2ccccc2[nH]1 779840831 UBOQKIYAXBPCRW-CHWSQXEVSA-N 303.318 -0.277 30 20 DBED C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N(C)C[C@H](O)CO 785115324 KFXZBXNYAMHSIA-MNOVXSKESA-N 321.333 -0.272 30 20 DBED COc1ccc(NC(=S)NN=C2C(=O)NC(=O)NC2=O)cc1 814214278 ZGGXFFVKDOBZIP-UHFFFAOYSA-N 321.318 -0.296 30 20 DBED CCS(=O)(=O)N1CCN(C(=O)[C@](C)(C#N)CC(=O)O)CC1 820398298 NTTGLMWAXQILML-LBPRGKRZSA-N 317.367 -0.515 30 20 DBED CN(C)c1nc(N)nc(COC(=O)[C@](C)(C#N)CC(=O)O)n1 820554320 LXFMJUMRGMADLK-LBPRGKRZSA-N 308.298 -0.432 30 20 DBED C#CCO[C@H](C)C(=O)NS(=O)(=O)[C@H](C)[C@@H](C)C(=O)OC 835312976 GMTPDJJWAMRNQQ-OPRDCNLKSA-N 305.352 -0.332 30 20 DBED C#Cc1cccc(CNC(=O)NCCNS(=O)(=O)N(C)C)c1 838720632 GBLBJVWEBUILQI-UHFFFAOYSA-N 324.406 -0.137 30 20 DBED C#Cc1cccc(CNC(=O)C(=O)N2CCN(C)C[C@H]2CN)c1 842033585 YGJNYXBVECCFRA-OAHLLOKOSA-N 314.389 -0.615 30 20 DBED C#CCNC(=O)[C@@H](C)OC(=O)Cn1nc2n(c1=O)CCCC2 845232688 ZDCJBNYYVDAJEK-SNVBAGLBSA-N 306.322 -0.938 30 20 DBED C#C[C@H](NC(=O)C(=O)Nc1cncc(OC)n1)[C@H]1CCCO1 845924005 ZJLQZDJJQKKJIU-VHSXEESVSA-N 304.306 -0.279 30 20 DBED C=CCCONC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 856029320 IQUBRWMRPNSHIO-UHFFFAOYSA-N 321.337 -0.552 30 20 DBED C=C[C@@H]1OCCC[C@H]1NC(=O)N1C[C@H]2C(=O)N(C)C(=O)[C@H]2C1 868675061 HYLFGKRTFGHQTI-KXNHARMFSA-N 307.350 -0.024 30 20 DBED C#CC[C@@H](CO)NS(=O)(=O)C[C@]1(OC(C)C)CCOC1 882341293 UAZWYCHWIWDKKH-STQMWFEESA-N 305.396 -0.126 30 20 DBED C#C[C@H](NC(=O)C(=O)NC[C@@H]1C[C@@H]2CC[C@H](C1)N2)[C@@H]1CCCO1 884553301 VAGGBFSUKLRHJY-AICCOOGYSA-N 319.405 -0.070 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N1CCO[C@@H]2COCC[C@@H]21 907748452 RLIYKVSRFNBNTH-SDDRHHMPSA-N 303.384 -0.045 30 20 DBED C[C@@H](C(=O)N1CCN(C(=O)[C@H](C)N(C)C)[C@@H](C#N)C1)N(C)C 912534941 HUQRWCXQMSOALC-AVGNSLFASA-N 309.414 -0.550 30 20 DBED C#CCN1CCC(NC(=O)CCS(=O)(=O)N(C)C)CC1 928654616 JOBMJASFUOKDDW-UHFFFAOYSA-N 301.412 -0.518 30 20 DBED CCN1CCOC[C@@H]1C(=O)N[C@H]1CCN(C(=O)C#CC2CC2)C1 938205893 PJMMQBAPZKIKCQ-LSDHHAIUSA-N 319.405 -0.162 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2CCCN2C(=O)C(N)=O)nc1 944245732 CDEPIWVRSOASQZ-LLVKDONJSA-N 300.318 -0.731 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCN(C(=O)[C@H]3CCC(=O)N3)CC2)C1 944881611 ZEOOLWUJMFYUDM-NWDGAFQWSA-N 318.377 -0.124 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@@H]3CCN(C(=O)C(N)=O)[C@H]3C2)c1 953313339 JMPMPSGBKPXSER-PWSUYJOCSA-N 315.333 -0.565 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](CNC(=O)c2cnnc(O)c2)C1 958164544 MFBUUCZCFJFEQF-GHMZBOCLSA-N 312.757 -0.043 30 20 DBED C#CCN1C[C@H](CNC(=O)c2ccc3nonc3c2)[C@@H](O)C1 958360620 OBBONONHQALZSJ-FZMZJTMJSA-N 300.318 -0.122 30 20 DBED Cc1[nH]nc(C(=O)N(C)[C@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)c1O 958824616 CGVSWLQEVGAEEN-JEZHCXPESA-N 321.337 -0.773 30 20 DBED Cc1nccc(C(=O)N(C)[C@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)n1 958853375 ZUXOJRLXUQHJBU-ICCXJUOJSA-N 317.349 -0.412 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H]2CN(C(=O)Cc3ccon3)C[C@@H]21 960880080 IKYFHVUGXONIOB-WCFLWFBJSA-N 318.333 -0.185 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H]2CN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C[C@@H]21 960880343 VGTCUAPPDFIUJZ-BSCCGWMCSA-N 319.361 -0.523 30 20 DBED C#CCN1C[C@@H]2C(NC(=O)c3ccc4c(c3)C(=O)NC4=O)[C@H]2C1 962340794 IJDZOKLUZQSHHN-STQMWFEESA-N 309.325 -0.137 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(C[C@H](NC(=O)c3cnns3)CO2)C1 965636743 DZGUVDZIXUUZIN-IUCAKERBSA-N 321.362 -0.203 30 20 DBED C=CCN1CC[C@H](N[C@@H]2CCN(C(=O)Cn3cccn3)C2)C1=O 967011449 MYDGOIAMRAPDIT-KGLIPLIRSA-N 317.393 -0.140 30 20 DBED C#Cc1ccc(C(=O)N2C[C@@H]3CC[C@H](C2)N3C(=O)C(N)=O)cc1 969803031 VKUKBWLIKRORAN-OKILXGFUSA-N 311.341 -0.031 30 20 DBED CN(CC#N)[C@H]1CCN(C(=O)CCc2nnc(O)nc2O)C1 971853872 KJJVUKHRNCWFTQ-VIFPVBQESA-N 306.326 -0.728 30 20 DBED C#CCN(C)[C@H]1CCN(C(=O)Cc2c(C)nc(O)nc2O)C1 972604514 RTQNQKBUGDDNPG-NSHDSACASA-N 304.350 -0.095 30 20 DBED CN1CCOC[C@@H]1C(=O)N[C@H]1[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]21 976393064 OASVQURMTJSUQY-CTASWTNQSA-N 317.389 -0.697 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)[C@]3(C)CCNC3=O)[C@H]2C1 977191928 VZPXWSMIMPOYRG-QMUJVDTISA-N 304.350 -0.755 30 20 DBED C#CCN1C[C@H](NC(=O)[C@@H]2CN(C(C)=O)CCO2)C(C)(C)C1 977553132 NHMOPRNMAQQGDX-KBPBESRZSA-N 307.394 -0.307 30 20 DBED COc1ncnc(OC)c1C(=O)NCC1[C@H]2CN(CC#N)C[C@H]12 979133807 NXWUFCGWUYVSLY-GHMZBOCLSA-N 317.349 -0.075 30 20 DBED C[C@H](NCc1nnnn1C)[C@H]1CN(C(=O)C#CC2CC2)CCO1 979332839 LXISLPVLTZYPTK-WCQYABFASA-N 318.381 -0.671 30 20 DBED CC#CCN1CCCN(C(=O)CCn2ncn(C)c2=O)CC1 981673342 HFUBPXGVYGQIQQ-UHFFFAOYSA-N 305.382 -0.471 30 20 DBED C[C@H]1CN(C(=O)CNC2CCN(C(=O)[C@H](C)C#N)CC2)CCO1 990315875 VXIHTHRDJOVLCZ-OLZOCXBDSA-N 322.409 -0.026 30 20 DBED CC#CCN1CC[C@]2(NC(=O)C[C@@H]3NC(=O)NC3=O)CCC[C@@H]12 991098780 CYDKLUKZYVHSCL-HWWQOWPSSA-N 318.377 -0.279 30 20 DBED C#Cc1ccc(C(=O)N2CC(NC(=O)Cc3ccn(C)n3)C2)cn1 991324251 FNUCQJZMVCOKBK-UHFFFAOYSA-N 323.356 -0.020 30 20 DBED C[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1CNC(=O)c1cn(C)nn1 993963515 HHBNQVIXPJZCPY-GMTAPVOTSA-N 304.354 -0.201 30 20 DBED Cc1ccc(=O)n(CC(=O)N2C[C@@H](NCC#N)C(C)(C)C2)n1 996542091 NNEZTPAUCAPVBD-GFCCVEGCSA-N 303.366 -0.098 30 20 DBED N#CCN[C@H]1CCCN(C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)C1 999730698 ALMSETHRJMMMGW-XQQFMLRXSA-N 308.382 -0.096 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCCN(CC(=O)N(C)C)C2)nn1 1008792888 GSGKNCQMRAFWIT-LBPRGKRZSA-N 320.397 -0.254 30 20 DBED N#Cc1c[nH]c(C(=O)N2CCN(C(=O)[C@@H]3COC(=O)N3)CC2)c1 1010925271 MUJNSEMBIUXNHK-NSHDSACASA-N 317.305 -0.721 30 20 DBED CC(C)N1CCO[C@H](C(=O)N2CCN(C(=O)[C@@H](C)C#N)CC2)C1 1012144247 ZCYNFNNJIWSZOD-KBPBESRZSA-N 322.409 -0.074 30 20 DBED C=CCn1cc(C(=O)NC2[C@@H]3CN(C(=O)C(F)F)C[C@@H]23)nn1 1013113244 IBIQUKDYQSQPAJ-HTQZYQBOSA-N 311.292 -0.084 30 20 DBED C[C@@H]1[C@H](NC(=O)Cn2cnnn2)CCCN1C(=O)C#CC1CC1 1014748050 YDTSBWLMTWUDST-DGCLKSJQSA-N 316.365 -0.418 30 20 DBED C[C@@H](C#N)C(=O)N1CCCO[C@@H](CNC(=O)c2ccn(C)n2)C1 1019591864 AJGWPHLSDKRNSO-RYUDHWBXSA-N 319.365 -0.073 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H](CN[C@H]3CCNC3=O)C2)nn1 1027110364 LLXPHLSDMZRDAI-NEPJUHHUSA-N 318.381 -0.596 30 20 DBED CC#CCN1CCCC[C@@H](NC(=O)c2nnc(O)nc2O)C1 1034292589 SEIILWQPATYGSU-SNVBAGLBSA-N 305.338 -0.110 30 20 DBED C=CCN1CCO[C@H](CNC(=O)c2cnc3[nH]nnc3c2)C1 1035395949 ATZUGEKLSJTHTK-LLVKDONJSA-N 302.338 -0.031 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CN(CC#CC)CCO1 1035399342 AVHIRMCTSFGKEX-CVEARBPZSA-N 303.406 -0.076 30 20 DBED C#CCCCC(=O)NC[C@]1(O)CCN(C(=O)CC(=O)N(C)C)C1 1039575527 AHQZNNZBRXATCP-MRXNPFEDSA-N 323.393 -0.652 30 20 DBED C[C@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)Cc2cncn2C)C1 1040760149 MNTOYTOUWQHKEV-ABAIWWIYSA-N 319.365 -0.798 30 20 DBED Cc1c[nH]nc1C(=O)N1CC[C@@](O)(CNC(=O)[C@H](C)C#N)C1 1040763232 NYQOBWGSOHKHAO-YMTOWFKASA-N 305.338 -0.429 30 20 DBED N#Cc1nccnc1N1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCCO2)C1 1040930178 BTCSQFVRBWRXDF-RAIGVLPGSA-N 317.349 -0.417 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)c2cnn(C)c2N)C1 1041956859 XZUIJBMJQCCBMA-UHFFFAOYSA-N 307.354 -0.728 30 20 DBED CO[C@H](C(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1)C(C)C 1042960198 ICJUAWWYZLFQHS-AWEZNQCLSA-N 308.378 -0.240 30 20 DBED O=C(C#CC1CC1)NCC1(O)CN(C(=O)c2ccnnc2)C1 1042963725 TXACYWGJMYXIFI-UHFFFAOYSA-N 300.318 -0.807 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)C(C)(C)C=C)C1 1043038965 AQBCFWKLTBEJAF-UHFFFAOYSA-N 308.378 -0.072 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)c2cnnc(O)c2)C1 1043482605 LWKARYAUBNGFPU-UHFFFAOYSA-N 318.333 -0.855 30 20 DBED C=C[C@](C)(CC)C(=O)N1CC(O)(CNC(=O)c2cnn(C)n2)C1 1043886568 NWBOJPOJGVXAMX-CQSZACIVSA-N 321.381 -0.280 30 20 DBED C=CCn1cc(C(=O)N2CC[C@@H](NCC(N)=O)C[C@H]2C)nn1 1044778188 YGGNXMXLBSJVLM-GHMZBOCLSA-N 306.370 -0.468 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)[C@@H](COC)OC)C1 1046236870 MEQKZZKJYRROMM-LLVKDONJSA-N 300.355 -0.697 30 20 DBED Cn1nnc(C(=O)NC[C@H]2C[C@@H](Nc3nccnc3C#N)C2)n1 1046535024 XZHYYSQCZPRMFC-DTORHVGOSA-N 313.325 -0.508 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCCS2(=O)=O)C1 1047407085 YWVIWBNRULONQQ-AVGNSLFASA-N 316.423 -0.357 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccn(CCOC)n2)C1 1047452902 HEMXXXWSKKRANE-KBPBESRZSA-N 306.366 -0.720 30 20 DBED C#CCOCCC(=O)N(C)[C@H]1CN(C(=O)c2cc[nH]c2)C[C@@H]1O 1048847255 FFKIRFJWYDUZOA-KBPBESRZSA-N 319.361 -0.302 30 20 DBED C[C@@H]1[C@@H](NC(=O)Cn2cnnn2)CCN1c1cncc(C#N)n1 1050061687 VPYNOTARXSCUOA-KOLCDFICSA-N 313.325 -0.882 30 20 DBED CC#CCN1C[C@@H]2CCCN(C(=O)Cn3c(O)nnc3O)[C@@H]2C1 1050191611 DATCITILCGOTTN-NWDGAFQWSA-N 319.365 -0.365 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1cncn1C 1051122019 ZWHWSBBMBNRIJK-BFHYXJOUSA-N 302.378 -0.026 30 20 DBED C#CCN1CC2(C1)CN(C(=O)c1ccn(CCOC)n1)CCO2 1053336651 GNLXLDWIQVVOHX-UHFFFAOYSA-N 318.377 -0.311 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)c3coc(C(N)=O)c3)CO2)C1 1053880357 NTZABQYOIOAQAO-NSHDSACASA-N 303.318 -0.415 30 20 DBED C[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1NCc1nc(O)n[nH]1 1054588234 PZGRYHIEHRWUNG-KWQFWETISA-N 315.337 -0.040 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H]2CN(C(=O)[C@H](C)OC)C[C@H]2C1 1055204400 GCCMEUPEJBUEBQ-RWMBFGLXSA-N 321.377 -0.922 30 20 DBED COC[C@H](OC)C(=O)N1C[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2C1 1055451397 ZIIANGFIXUENLO-NDBYEHHHSA-N 309.366 -0.276 30 20 DBED Cn1cnc(C(=O)N[C@H]2[C@@H]3CN(c4ccc(C#N)nn4)C[C@@H]32)c1 1056185886 JWBWBQCBEFTWRT-YABSGUDNSA-N 309.333 -0.054 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](N(C)c2nccn3nnnc23)C1 1056871464 LEYSIAKYQMFSLZ-NXEZZACHSA-N 300.326 -0.284 30 20 DBED N#Cc1cncc(N2CCCN(C(=O)[C@@H]3COC(=O)N3)CC2)n1 1057132503 OCMSPZVEPVYRFV-NSHDSACASA-N 316.321 -0.505 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)c1ccc(=O)n(C)n1 1057171078 NBQNMUAZFASJAA-UHFFFAOYSA-N 322.365 -0.703 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)[C@H](CCC)OC 1057196852 YLECKJXFUJLWID-ZDUSSCGKSA-N 316.398 -0.059 30 20 DBED Cn1cc(C(=O)N2CCC[C@H](N=c3cc[nH]c(C#N)n3)C2)nn1 1057637648 MAKPQVLUUDSVIB-JTQLQIEISA-N 312.337 -0.385 30 20 DBED N#Cc1cnc(N2CC[C@H](NC(=O)[C@H]3CCNC3=O)C2)c(F)c1 1058508242 XVMSUHVISSMUCP-QWRGUYRKSA-N 317.324 -0.077 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)c1cccc(=O)n1C 1058656658 HYFYPRCNDDCVTE-LLVKDONJSA-N 320.349 -0.904 30 20 DBED C=CCCC(=O)NC[C@@H]1COCCN1C(=O)CCCC(N)=O 1061401513 IHPUWHJHIVUMHX-GFCCVEGCSA-N 311.382 -0.048 30 20 DBED C#CCCCC(=O)N1CCOC[C@@H]1CNC(=O)c1nc[nH]n1 1061766523 LPGXODFLVJXUQY-NSHDSACASA-N 305.338 -0.435 30 20 DBED C[C@H](NC(N)=O)C(=O)NCC1(NC(=O)C#CC2CC2)CCC1 1062848415 FMLAYSGNMBOFQV-JTQLQIEISA-N 306.366 -0.388 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)C[C@@H]2CCNC2=O)CCC1 1063298212 YQBIJLDTOHNNGB-MNOVXSKESA-N 306.366 -0.173 30 20 DBED C#CCO[C@@H](C)C(=O)NC1(CNC(=O)C2(C(N)=O)CC2)CCC1 1064286781 KQSMEWDXNQKNCM-NSHDSACASA-N 321.377 -0.555 30 20 DBED Cc1cc(C#N)nc(NC[C@]2(C)CCN(C(=O)C(N)=O)C2)n1 1065479225 DGWOLJGIKHXAQY-AWEZNQCLSA-N 302.338 -0.208 30 20 DBED CN(C(=O)c1cnco1)[C@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1065612565 ANOIPCCIEGOSDG-QWRGUYRKSA-N 314.305 -0.342 30 20 DBED N#Cc1ccc(C(=O)N2CCC[C@H](NC(=O)CC(N)=O)CC2)[nH]1 1066009180 XXNSNGIXKWZVJR-JTQLQIEISA-N 317.349 -0.127 30 20 DBED C=CCOCC(=O)N1CCC[C@H](NC(=O)Cn2nccn2)CC1 1066209638 OGGKTJGGBFFRGH-ZDUSSCGKSA-N 321.381 -0.022 30 20 DBED CN(CCCN(C)C(=O)[C@@H]1CNC(=O)N1)C(=O)C#CC1CC1 1067376719 SAHUYRQDNYEVQL-LBPRGKRZSA-N 306.366 -0.612 30 20 DBED N#Cc1c[nH]ccc1=NCC1CC(NC(=O)[C@H]2CNC(=O)N2)C1 1067883226 KVHFGZRGRDEAQJ-QEIKUCIBSA-N 314.349 -0.637 30 20 DBED C[C@@H]1C[C@H](N=c2cc[nH]c(C#N)n2)CN1C(=O)Cn1nccn1 1069155337 SIYPORMOVDDKRJ-MNOVXSKESA-N 312.337 -0.537 30 20 DBED N#Cc1cnc(N2CC[C@]3(NC(=O)C(N)=O)CCC[C@@H]23)cn1 1069282787 RJNJXJGKPURVDF-QMTHXVAHSA-N 300.322 -0.549 30 20 DBED C#CCCN1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)C(N)=O)n1 1070605697 XJSVZEQLVONLQU-NWDGAFQWSA-N 319.365 -0.581 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@@H]2CCNC2=O)C[C@H]1c1cncn1C 1070675827 XGDGRNKDLUQGGR-JHJVBQTASA-N 315.377 -0.927 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H](N2CCN(CCCO)CC2=O)C1 1071258798 QXHVLKBUSYLDEN-ZIAGYGMSSA-N 322.409 -0.336 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CN(C(=O)COCC)C[C@H]1C 1071529475 JIULSSUOVAYPGE-NEPJUHHUSA-N 309.366 -0.875 30 20 DBED C=CCCC(=O)N1C[C@@H](NC(=O)C2CC(=O)NC(=O)C2)[C@H](C)C1 1071786698 HXIJFYMBBNGUBP-ZYHUDNBSSA-N 321.377 -0.032 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H](C)[C@@H](NC(=O)c2cocn2)C1 1071936917 VSXLBRQXMUTQAT-QWRGUYRKSA-N 318.333 -0.609 30 20 DBED C=CCN1CCC2(C1)CN(C(=O)c1cn(C)c(=O)nc1O)C2 1073425077 AKRGUHHGGHURGI-UHFFFAOYSA-N 304.350 -0.180 30 20 DBED C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)CC[C@@H]1NC(=O)CC(N)=O 1073840674 VURVKWGRDHFDCC-SKDRFNHKSA-N 317.349 -0.271 30 20 DBED Cc1nonc1CC(=O)N1CC[C@H]2OCCN(CC#N)[C@@H]2C1 1074372374 WKRNULOCLOIHBL-CHWSQXEVSA-N 305.338 -0.254 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CCN(C(=O)C(C)(C)C(N)=O)CC1 1074619245 MEUJCMUDWCHBGH-SNVBAGLBSA-N 324.381 -0.873 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)c1cncnc1 1076240904 UCUJLJRCNJETDM-NSHDSACASA-N 317.349 -0.759 30 20 DBED COCCn1cc(C(=O)NCC[C@H](C)NC(=O)[C@@H](C)C#N)nn1 1076507482 ISIVLRDCALKXBZ-QWRGUYRKSA-N 322.369 -0.291 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)c1cncn1C 1077229563 IMFBCTWCLQXIKB-NSHDSACASA-N 319.365 -0.816 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)c2csc(NC(C)=O)n2)C1 1077291655 SIMFDFCBSZJHRW-ZYHUDNBSSA-N 322.390 -0.100 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN(C(N)=O)C2)C1 1077336883 PRDFKGHMPNZIJP-JHJVBQTASA-N 310.398 -0.486 30 20 DBED C#CCN[C@@H]1C[C@H](NC(=O)CN2CCN(C)C(=O)C2)C12CCC2 1078663193 JFAIKPWVXMARSH-KGLIPLIRSA-N 318.421 -0.589 30 20 DBED C=CCn1cc(C(=O)N2CCC(CO)(NC(=O)CC)CC2)nn1 1080646860 SLQFVSFDVFAKCI-UHFFFAOYSA-N 321.381 -0.043 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCC(CO)(NC(=O)[C@H](C)C#N)CC1 1080980126 KWZUEMCONCDYQG-IUODEOHRSA-N 323.393 -0.057 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cc(C)on2)C1 1081231642 OKHRYVYMAGBZIW-YPMHNXCESA-N 323.349 -0.265 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)c2cnn(C)c2)C[C@H]1O 1081333078 OLMDGDWIRRTNCF-DGCLKSJQSA-N 306.366 -0.065 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)CCc2nc[nH]n2)C[C@H]1O 1081336108 TXITVYIMWPMCNZ-NWDGAFQWSA-N 321.381 -0.361 30 20 DBED CCCN(C)CC(=O)N1C[C@H](CNC(=O)C#CC2CC2)[C@@H](O)C1 1081472176 WCGHLCTUYCUQGJ-GJZGRUSLSA-N 321.421 -0.323 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cnc(O)n2C)C1 1081639784 DDMIFSCBWWTCMR-PWSUYJOCSA-N 322.365 -0.359 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1 1083569891 UBEKYPQZSSJFTF-YTWAJWBKSA-N 324.299 -0.320 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)[C@]2(C)CCN(C(C)=O)C2)C1 1083929082 MVYZIIJOSDLHJF-IJEWVQPXSA-N 309.410 -0.018 30 20 DBED C#CCN1C[C@H]2[C@H]3CC[C@@H]([C@H]2C1)N(C(=O)Cn1cnnn1)C3 1089769326 KPYZKCRBRSWOBY-XUXIUFHCSA-N 300.366 -0.525 30 20 DBED N#CCN1CC[C@H](NC(=O)c2cccc3nn[nH]c23)[C@@H](O)C1 1090288113 YQOAFMTYULBTTP-JQWIXIFHSA-N 300.322 -0.354 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(c2cnc(F)cn2)C[C@H]1O 1090408036 JYYQTLSDGMAQRG-RULNRJAQSA-N 310.329 -0.392 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2c(OC)ncnc2OC)[C@@H](O)C1 1090843513 JODPCWPOINTGHT-MNOVXSKESA-N 320.349 -0.708 30 20 DBED C[C@@H]1CN(C(=O)CC(=O)N(C)C)C[C@H]1N=c1cc[nH]c(C#N)n1 1091025246 MMWOUXPXTOHGML-GHMZBOCLSA-N 316.365 -0.493 30 20 DBED C=CCCC(=O)N[C@@H]1CN(c2ccnc(C(=O)OC)n2)C[C@@H]1O 1091074980 NFKZPYYPAKWLOY-MNOVXSKESA-N 320.349 -0.105 30 20 DBED C[C@@H]1[C@@H](NC(=O)C2(C(N)=O)CC2)CCN1c1cncc(C#N)n1 1092044942 LFIFCTGXWOHVGB-KOLCDFICSA-N 314.349 -0.303 30 20 DBED C=CCN1CC2(C[C@@H](NC(=O)[C@H]3CNC(=O)N3)c3nccn32)C1 1092391300 SLWWKQFXZVPNNH-GHMZBOCLSA-N 316.365 -0.678 30 20 DBED C=CCCn1cc(C(=O)NC[C@@H]2CN(CC(N)=O)C[C@H]2C)nn1 1093040177 JCGDSGDZBGCJMS-VXGBXAGGSA-N 320.397 -0.363 30 20 DBED COCCOCC(=O)NC1[C@H]2CN(c3cnc(C#N)cn3)C[C@H]12 1093255393 XSESCPIGPOLBIO-RYUDHWBXSA-N 317.349 -0.438 30 20 DBED O=C(C#CC1CC1)NC1[C@@H]2CN(c3ccc4nnnn4n3)C[C@@H]12 1093264615 WAUAMRCXNUWTRD-GHMZBOCLSA-N 309.333 -0.517 30 20 DBED Cc1cc(C#N)nc(NCCNC(=O)CN2C(=O)CCC2=O)n1 1093625768 OCHSTDPMXIBZQO-UHFFFAOYSA-N 316.321 -0.666 30 20 DBED C#CCO[C@H](C)C(=O)NCCNc1nc(O)c2cnn(C)c2n1 1093878384 NXUACPBNBQJRIL-SECBINFHSA-N 318.337 -0.365 30 20 DBED N#Cc1c[nH]ccc1=NCCNC(=O)[C@H]1CN2CCC[C@@H]2CO1 1094203006 JJLLFNWERGLGQX-UKRRQHHQSA-N 315.377 -0.234 30 20 DBED CC#CCN1CC(n2cc(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])nn2)C1 1094291318 OIQJOGGCOOJHTH-CHWSQXEVSA-N 318.337 -0.561 30 20 DBED COC(=O)NCC(=O)N1CC[C@H](N(C)c2nccnc2C#N)C1 1095094022 VXRBOGFAOQTWMT-JTQLQIEISA-N 318.337 -0.259 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCCN(c2cnc(F)cn2)C1 1096162885 STWREHKKAZVBNA-LLVKDONJSA-N 319.340 -0.160 30 20 DBED N#Cc1cnc(N[C@H]2C[C@@H](NC(=O)CNC(=O)C3CC3)C2)cn1 1097155550 QGMNDRLCDKWWSC-PHIMTYICSA-N 314.349 -0.066 30 20 DBED N#Cc1ccc(N2CCC[C@@H](CNC(=O)CNC(N)=O)C2)nc1 1097286770 QWFQCLACCJKHLN-LBPRGKRZSA-N 316.365 -0.046 30 20 DBED C[C@H](CNC(=O)[C@H]1C[C@H]1C(=O)N(C)C)N=c1cc[nH]c(C#N)n1 1098269202 GMRSDRYUMJBDDN-OUAUKWLOSA-N 316.365 -0.589 30 20 DBED CC#CCN(CCO)C1CCN(C(=O)c2cnn(C)c2N)CC1 1098351532 PNCCLCHAESPYEV-UHFFFAOYSA-N 319.409 -0.076 30 20 DBED CC(=O)NCC(C)(C)C(=O)N1CCC(N(CC#N)CCO)CC1 1098497004 JCNBHCISFRXFCX-UHFFFAOYSA-N 324.425 -0.042 30 20 DBED C#CCCNCc1cn([C@H]2CCN(C(=O)CC(=O)NC)C2)nn1 1098664566 PHKIQYZKUVOMMM-ZDUSSCGKSA-N 318.381 -0.700 30 20 DBED C#CCNCc1cn([C@@H]2CCN(C(=O)[C@H]3CCN(C)C3)C2)nn1 1098780746 ZARHNEPWZDEMKE-DZGCQCFKSA-N 316.409 -0.274 30 20 DBED CC(C)(C)CC(=O)N[C@H]1CCN(CC(=O)NCC#N)C[C@@H]1O 1099681484 QTUJSXSXLWNRQP-RYUDHWBXSA-N 310.398 -0.386 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@H](O)C1 1099776258 PELGNTKTJZAKGG-UKRRQHHQSA-N 316.361 -0.299 30 20 DBED C#CCCCC(=O)N[C@@H]1CCN(CC(=O)N(C)CC)C[C@H]1O 1099806849 HDVWMBLXDRSADV-ZIAGYGMSSA-N 309.410 -0.180 30 20 DBED Cc1nc(CN2CC[C@H](NC(=O)C#CC3CC3)[C@@H](O)C2)n[nH]1 1099827319 VOAKNENHBSXSPM-STQMWFEESA-N 303.366 -0.422 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)Cc2cncs2)[C@@H](O)C1 1099885999 WWAFDALBCZPNGR-KGLIPLIRSA-N 323.418 -0.113 30 20 DBED CCC1(C(=O)N[C@@H]2CCN(CC(=O)NCC#N)C[C@H]2O)CC1 1099989949 VUMXFJDUGKTQAP-VXGBXAGGSA-N 308.382 -0.632 30 20 DBED C#CCCN1CC[C@H](NC(=O)CCCN(C)C(C)=O)[C@@H](O)C1 1100092413 NEFPCMDXOFEMCH-GJZGRUSLSA-N 309.410 -0.180 30 20 DBED C#CCCN1CC[C@H](NC(=O)CNC(=O)c2ccco2)[C@@H](O)C1 1100096698 LVFAJAYIMVXADG-STQMWFEESA-N 319.361 -0.416 30 20 DBED CC#CCN1CC[C@H](NC(=O)C(C)(C)NC(=O)NC)[C@@H](O)C1 1100126580 JGKXWLNXBHAJTA-RYUDHWBXSA-N 310.398 -0.731 30 20 DBED C=CCCNC1CC(CNC(=O)CNS(=O)(=O)N(C)C)C1 1100716517 FFJDQVNCGNPEJO-UHFFFAOYSA-N 318.443 -0.557 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)C[C@H]1COC(=O)C1 1101559452 IUHXBTIGCCSXQX-SNVBAGLBSA-N 303.322 -0.406 30 20 DBED C=C(C)CN1C[C@@H](C)[C@H](CNC(=O)CNC(=O)CNC(C)=O)C1 1102098182 XJZOPIOHLKLBGN-TZMCWYRMSA-N 324.425 -0.501 30 20 DBED C=CCN1CC[C@@H](N2C[C@@H](C)[C@H](CCNC(=O)C(N)=O)C2)C1=O 1103390471 WQIMCDRQKMKLJM-JHJVBQTASA-N 322.409 -0.667 30 20 DBED C[C@](CN=c1cc[nH]c(C#N)n1)(NC(=O)c1nc[nH]n1)C1CC1 1103539428 UOAIDARVEPWICI-CQSZACIVSA-N 312.337 -0.101 30 20 DBED Cc1cc(=NC[C@H]2CCCN2C(=O)CNC(N)=O)c(C#N)c[nH]1 1103789369 XNZZRYVBFWGBGB-GFCCVEGCSA-N 316.365 -0.245 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)c1cnc(O)n1C 1104157921 XDRUKPMABXITJZ-SECBINFHSA-N 315.337 -0.313 30 20 DBED CCc1nc(C#N)cc(NC[C@@H](O)CNC(=O)CCOC)n1 1105696630 GYBKQMNWGWJIGV-LLVKDONJSA-N 307.354 -0.164 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC(OC2CN(CC(N)=O)C2)CC1 1105708778 YXBMKWUUFIXFHP-GFCCVEGCSA-N 323.393 -0.798 30 20 DBED Cc1c[nH]nc1C(=O)NC[C@@H](O)CNc1cnc(C#N)cn1 1105809659 GQBUMBHQMJQOGI-JTQLQIEISA-N 301.310 -0.417 30 20 DBED Cc1ccc(C#N)c(NC[C@@H](O)CNC(=O)c2cn(C)nn2)n1 1105814982 BYJFSWWYZYCQGW-LLVKDONJSA-N 315.337 -0.407 30 20 DBED Cc1nonc1C(=O)NC[C@@H](O)CN=c1cc[nH]cc1C#N 1105884753 POYJTKTVRJFASH-JTQLQIEISA-N 302.294 -0.731 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)c2cncnc2O)cn1 1106007622 SXBCHHNZHMOORE-LLVKDONJSA-N 314.305 -0.348 30 20 DBED N#Cc1cncc(NC[C@@H](O)CNC(=O)COCC(F)F)n1 1106032611 SIXGAESITASROD-SECBINFHSA-N 315.280 -0.481 30 20 DBED Cc1nsc(NC[C@H](O)CNC(=O)[C@@H]2CCNC2=O)c1C#N 1106051896 OFUPQOGCYKOOIP-RKDXNWHRSA-N 323.378 -0.652 30 20 DBED CO[C@H](C(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1)C(C)C 1106093104 UVUJHEGZQPWCIN-GWCFXTLKSA-N 307.354 -0.670 30 20 DBED C=C(C)CN1CC(n2cc(CNC(=O)[C@H](C)CC(N)=O)nn2)C1 1107191011 MMTMYUUSRKLHPZ-LLVKDONJSA-N 320.397 -0.161 30 20 DBED N#Cc1nc(=NC/C=C\CNC(=O)CN2CCCC2)cc[nH]1 1107199727 FPGOPZGYWGGOAZ-UPHRSURJSA-N 300.366 -0.050 30 20 DBED COCC#CCN1CCO[C@@](C)(CNC(=O)c2cnnn2C)C1 1107910808 POUQDDXNKMKBLY-HNNXBMFYSA-N 321.381 -0.714 30 20 DBED C[C@H](CNc1cncc(C#N)n1)NC(=O)[C@H]1CCCNC1=O 1107990212 PIMMIIWPQODGTM-KOLCDFICSA-N 302.338 -0.209 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)C2(C(=O)NC)CCC2)C1 1108356653 KLFCVYLZIFSQRU-OAHLLOKOSA-N 307.394 -0.257 30 20 DBED COCCC(C)(C)C(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1 1108582643 BFHNJGANFLZLDZ-GFCCVEGCSA-N 322.409 -0.026 30 20 DBED C[C@@H](CN(C)c1cncc(C#N)n1)NC(=O)[C@@H]1COCCO1 1108872488 FVZFTZUUEQEBQQ-JQWIXIFHSA-N 305.338 -0.295 30 20 DBED C=CCCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CNC(=O)CNC(C)=O 1110734338 IYKFVOVTWVOZLD-MCIONIFRSA-N 322.409 -0.464 30 20 DBED CNC(=O)CC(=O)NC[C@]1(O)CCN(c2ncccc2C#N)C1 1111062547 JKNOHAKBEVSQLH-OAHLLOKOSA-N 317.349 -0.853 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCCN1C(=O)CNC1=O 1111379769 KFELABLXMYXULP-UPJWGTAASA-N 318.377 -0.327 30 20 DBED CCc1nc(C#N)cc(N2CCOC[C@@H]2CNC(=O)COC)n1 1111655224 NKHVCTUWLZYASW-LBPRGKRZSA-N 319.365 -0.122 30 20 DBED N#CCSCC(=O)N1CCN([C@H]2CCC(=O)NC2=O)CC1 1112630196 PPVRLVUISLBYJD-JTQLQIEISA-N 310.379 -0.807 30 20 DBED CC(C)(O)CC(=O)NC[C@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1112717594 LVUMFDRAKOWFCB-JQWIXIFHSA-N 319.365 -0.577 30 20 DBED C#CCNC(=O)CC(=O)N1CCN(Cc2nnc(CC)o2)CC1 1112774250 NRKDNJMWYOGVJJ-UHFFFAOYSA-N 319.365 -0.584 30 20 DBED C[C@H](NC(=O)C1(C(N)=O)CC1)[C@@H](C)N=c1cc[nH]cc1C#N 1113274770 VMUSVJKWKDSPKU-ZJUUUORDSA-N 301.350 -0.054 30 20 DBED CN1CCC(C(=O)N2CCN(CC(=O)NCC#N)CC2)CC1 1113295454 UBCZCXQTIDEHOX-UHFFFAOYSA-N 307.398 -0.888 30 20 DBED C[C@H](CNC(=O)CS(C)(=O)=O)N(C)c1ccc(C#N)nc1 1113520828 JKYDBJFURPGDEM-SNVBAGLBSA-N 310.379 -0.061 30 20 DBED COC[C@@H](OC)C(=O)NC[C@H](C)N(C)c1nccnc1C#N 1113858056 QQLWJYVRPNFMFE-CMPLNLGQSA-N 307.354 -0.049 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3ncoc3C)[C@H]2C1 1113952746 JHXLMSUWVKPLLW-YABSGUDNSA-N 304.350 -0.055 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)CNC(=O)CC)[C@H]2C1 1114059965 DJWUIAKQDABPFV-SRVKXCTJSA-N 322.409 -0.750 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3ncccc3C)[C@H]2C1 1114103068 FGTRBSJJNNXJON-VIKVFOODSA-N 312.373 -0.201 30 20 DBED C=CCOCCCC(=O)NC1[C@H]2CN(Cc3nnn(C)n3)C[C@H]12 1114109686 XZLKUGYSMFKYDK-RYUDHWBXSA-N 320.397 -0.261 30 20 DBED C=CCOCCN1C[C@H]2[C@H](NC(=O)c3cc(=O)n(C)o3)[C@H]2C1 1114175201 AECDAPTUPULDDF-YABSGUDNSA-N 307.350 -0.159 30 20 DBED CC(C)C#CC(=O)N[C@H]1[C@@H]2CN(CCN3C(=O)CNC3=O)C[C@@H]21 1114247971 SAQWWARVQCHBAM-JYAVWHMHSA-N 318.377 -0.756 30 20 DBED N#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)CCc3cnc[nH]3)[C@H]2C1 1114384400 JZPQLUOVCRNEEI-JYAVWHMHSA-N 316.365 -0.972 30 20 DBED C=C(C)CCN1C[C@H]2[C@H](NC(=O)CNC(=O)CNC(C)=O)[C@H]2C1 1114480170 IBIYTWRYSXXJAW-VIKVFOODSA-N 322.409 -0.749 30 20 DBED CC1(C(=O)N[C@H]2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]32)CCOCC1 1114977820 JEGNUSHSWODUOG-IMRBUKKESA-N 320.393 -0.511 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)c3ccncn3)[C@H]2C1 1114992642 YEYFWTOPIALQAX-CIQGVGRVSA-N 313.361 -0.726 30 20 DBED Cc1c[nH]cc1C(=O)NC1[C@H]2CN(CC(=O)NCC#N)C[C@H]12 1115236044 SYUHRBMXMRJDPM-RYUDHWBXSA-N 301.350 -0.377 30 20 DBED CN(C)CCC(=O)NCCOCCN(C)c1ccnc(C#N)n1 1115251043 LLEXKGIOXFOHES-UHFFFAOYSA-N 320.397 -0.131 30 20 DBED C[C@H](CN(C)C(=O)[C@H]1CN(C)CCO1)Nc1nccnc1C#N 1115664249 MCDHATAAMHOHKE-DGCLKSJQSA-N 318.381 -0.062 30 20 DBED C[C@@H](CN(C)C(=O)[C@H]1COCCN1C)Nc1nccnc1C#N 1115682669 URJRVXYNYJPIDM-WCQYABFASA-N 318.381 -0.062 30 20 DBED C[C@@H](CN1CCN(C)CC1)NC(=O)NC1CCN(CC#N)CC1 1116005563 HYHPBKRIGLGQMU-AWEZNQCLSA-N 322.457 -0.091 30 20 DBED Cc1nnc([C@@H](C)NC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)s1 1118157646 IBWYZSPVZMKETB-OQPBUACISA-N 323.378 -0.099 30 20 DBED CN(C[C@@H]1CCC[C@H]1O)C(=O)C(=O)N1CC[C@](O)(CC#N)C1 1118250152 NJCMHKUQNLJMJY-YWPYICTPSA-N 309.366 -0.517 30 20 DBED CCn1ccnc1C(=O)NC[C@@H](CO)N=c1cc[nH]cc1C#N 1121412660 RRRYBUFITXTHAI-LBPRGKRZSA-N 314.349 -0.206 30 20 DBED Cc1cc(=N[C@H](CO)CNC(=O)c2cnn(C)n2)c(C#N)c[nH]1 1121770504 LHZWWDBHIKXWRS-NSHDSACASA-N 315.337 -0.985 30 20 DBED Cc1nc(N[C@H](CO)CNC(=O)Cn2nccn2)ccc1C#N 1122098540 UTCGGGAHXGGNLV-LBPRGKRZSA-N 315.337 -0.558 30 20 DBED Cc1cc(=N[C@@H](CO)CNC(=O)c2ccnnc2)c(C#N)c[nH]1 1122603888 GQBOLGOTSGMMKD-CYBMUJFWSA-N 312.333 -0.324 30 20 DBED C[C@H]1[C@@H](NC(=O)CC(N)=O)CCCN1c1ccc(C#N)nn1 1123521378 FHFXFNIIRWCCQX-ONGXEEELSA-N 302.338 -0.303 30 20 DBED CN(C[C@@H](O)CNc1cnc(C#N)cn1)C(=O)c1ccnn1C 1124150862 YMDQPUCQYARSRF-NSHDSACASA-N 315.337 -0.373 30 20 DBED C[C@@H](C#N)C(=O)N(C)C[C@@H](O)CNc1nc[nH]c2ncnc1-2 1124190976 JGDKNWPYZCYKLB-IUCAKERBSA-N 303.326 -0.305 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)C(=O)C(C)(C)C 1124226032 WDENHFSRDBRDEJ-SNVBAGLBSA-N 319.365 -0.383 30 20 DBED CN(C[C@H](O)CNc1cnc(C#N)cn1)C(=O)CCCC(N)=O 1124393668 KKSXIHWMJAOWKO-LLVKDONJSA-N 320.353 -0.765 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)CCC(=O)NCC)C1=O 1124726556 GFAWPWRDNUNLLI-GFCCVEGCSA-N 310.398 -0.605 30 20 DBED CN(C[C@H](O)CN(C)c1ccncc1C#N)C(=O)c1cnon1 1125140165 UTDJXWIZRJPATR-LLVKDONJSA-N 316.321 -0.094 30 20 DBED C=C(C)CN(CC)C(=O)[C@H](C)NCCNC(=O)c1ncn(C)n1 1126688306 DUAHCLMKHVCSSH-LBPRGKRZSA-N 322.413 -0.052 30 20 DBED C=CCOCCNCCNC(=O)CNC(=O)c1ccncc1 1127896713 FPOORGPQACSPON-UHFFFAOYSA-N 306.366 -0.280 30 20 DBED C=CCNCc1cccc(N2CC[C@H](NC(=O)C(N)=O)C2)n1 1128125571 CYHVMXCYFUSGQP-LBPRGKRZSA-N 303.366 -0.463 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCNCCc1ccnn1C 1129771132 RZWWXYAUXYJCTM-HNNXBMFYSA-N 303.410 -0.234 30 20 DBED C[C@H](CC(N)=O)C(=O)NCc1c[nH]nc1[C@@H]1CCN(CC#N)C1 1130415808 PWYZZRBTHLOCOD-GHMZBOCLSA-N 318.381 -0.150 30 20 DBED C#CCNC(=O)CNCCNC(=O)CCc1ccc(OC)nc1 1131193688 ZDERZONWQFERFX-UHFFFAOYSA-N 318.377 -0.522 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)C[C@@H](C)NCC(=O)N1CCC1 1134130258 FJFVKEVXALGWLS-CHWSQXEVSA-N 322.409 -0.769 30 20 DBED C=CCCn1cc(C(=O)N[C@@H](C)C[C@H](C)NCC(N)=O)nn1 1135667484 UBPXWKSFITXONX-QWRGUYRKSA-N 308.386 -0.174 30 20 DBED C=CCN1CCC2(C1)CN(C(=O)CCS(=O)(=O)NC)C2 1147557887 GAANHMZTVYWFEQ-UHFFFAOYSA-N 301.412 -0.354 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)CNC(=O)N2CCCC2)C1 1149699897 CEMFEXQZFMFKEW-CQSZACIVSA-N 322.409 -0.368 30 20 DBED COCC#CCN1CCC(CCOC)(NC(=O)C(N)=O)CC1 1151281878 SFDCQIRLJIWCOD-UHFFFAOYSA-N 311.382 -0.891 30 20 DBED NC(=O)NC(=O)CNCCNC(=O)CC#Cc1ccccc1 1151952734 DZKSIAVLJRXZKM-UHFFFAOYSA-N 302.334 -0.671 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)[C@H]1CCCC(=O)N1 1153940985 KNODZOOFACFYOP-CHWSQXEVSA-N 322.409 -0.769 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)CN2CCCC2=O)C1=O 1154498205 ASYKZQRFDAFTIK-CYBMUJFWSA-N 322.409 -0.508 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)[C@@H]1CC(=O)N(CC)C1 1159275644 FNEOFULDQFGAPE-CHWSQXEVSA-N 322.409 -0.911 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)CN2CCCC2)C1=O 1176110275 JJCXZLSZNDXHQD-CQSZACIVSA-N 308.426 -0.035 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)CNC(=O)[C@@H](C)CC 1176318946 RAKOUINLCAXSQA-QWHCGFSZSA-N 324.425 -0.618 30 20 DBED C#CCNC(=O)CNCCCNC(=O)CN1[C@@H](C)CC[C@H]1C 1176844954 PAYARRVCHHPXCY-OKILXGFUSA-N 308.426 -0.296 30 20 DBED CCS(=O)(=O)CC(=O)N1CC[C@@H]2OCCN(CC#N)[C@@H]2C1 1177151859 WBDOJBNLLGONKK-NEPJUHHUSA-N 315.395 -0.754 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)C(C)(C)NC(=O)NC)C[C@@H]21 1177156519 JLOKKUJVWNJVIK-STQMWFEESA-N 322.409 -0.371 30 20 DBED CC#CCNCCCCCCNC(=O)[C@H]1CCS(=O)(=O)N1 1180289965 TVLYJMRWYSEEOZ-CYBMUJFWSA-N 315.439 -0.032 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)CNC(=O)CCC)C1 1181396398 VURCXXFZGXPLPF-CHWSQXEVSA-N 324.425 -0.216 30 20 DBED C#CCNC[C@H]1CCN(C(=O)c2nnc(O)nc2O)C[C@@H]1C 1184733993 FRJFPJHNSOSOBZ-VHSXEESVSA-N 305.338 -0.396 30 20 DBED C#CCNC[C@H]1CN(C(=O)CNC(N)=O)CC12CCOCC2 1186244775 AHJFWGFTFYTHCC-LBPRGKRZSA-N 308.382 -0.867 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@@H](NCCS(C)(=O)=O)C2)nc1 1187207483 CBEKTUYICOQHFZ-CYBMUJFWSA-N 321.402 -0.088 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)CNC(=O)OC)C1 1189120786 DFDPFCGRWCOQKN-NSHDSACASA-N 312.370 -0.823 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)c2ccon2)C1 1191362138 SKNYXRQLAMGIAR-YUSALJHKSA-N 308.338 -0.860 30 20 DBED COc1ccnc(CN2C[C@@H](O)[C@H](NC(=O)[C@H](C)C#N)C2)c1 1191853923 HGTAYUNCHYGHMD-LERXQTSPSA-N 304.350 -0.089 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@H]1CCN(C(=O)CCCC(N)=O)C1 1194485982 YNTXYKOCKPFASW-STQMWFEESA-N 322.409 -0.687 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1CN(CC#CC)C[C@H]1O 1196691560 GYSYIRJFQUMMJI-RRFJBIMHSA-N 307.394 -0.358 30 20 DBED CC[C@H](C)CCC(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1O 1197109402 XBLRDHJDQRADDS-YNEHKIRRSA-N 310.398 -0.386 30 20 DBED CCn1cc(CC(=O)N[C@@H]2CN(CC#CCOC)C[C@H]2O)cn1 1197680922 CQQHMCVHTCBJHY-HUUCEWRRSA-N 320.393 -0.743 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)CS(=O)(=O)CCCC)C1 1199136387 QEDHEKOSXMMQFU-CHWSQXEVSA-N 318.439 -0.061 30 20 DBED N#CCNC(=O)CNC1CCN(C(=O)[C@@H]2C[C@H]3CC[C@H]2O3)CC1 1199860599 SUVWNUVDMSHVJS-MGPQQGTHSA-N 320.393 -0.226 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)[C@H]2CN(C)CCO2)CCCO1 1200182802 UGLOOYUPJLIHHJ-HUUCEWRRSA-N 309.410 -0.453 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)CCCO1 1200582834 MQPCPZXNHABYIB-CYBMUJFWSA-N 314.407 -0.739 30 20 DBED CC(C)N1C[C@@H](C(=O)N2CCCO[C@@H](CNCC#N)C2)CC1=O 1200634458 DUNXZVYTWUAKAL-KBPBESRZSA-N 322.409 -0.026 30 20 DBED Cc1ccnc(C(=O)N2CCC[C@H](NCC(=O)NCC#N)C2)n1 1207929348 YUQFJDVHIGMBLN-LBPRGKRZSA-N 316.365 -0.381 30 20 DBED COC1CC(C(=O)N2CCC[C@H](NCC(=O)NCC#N)C2)C1 1208384087 QSEGSJTTYLQKGH-CPCZMJQVSA-N 308.382 -0.368 30 20 DBED C#CCN[C@H]1CCCN(C(=O)CCNC(=O)c2cnccn2)C1 1211167411 ACZJXDHNBAIPFN-ZDUSSCGKSA-N 315.377 -0.190 30 20 DBED C=CCOCCN1C[C@@H](NC(=O)Cc2ccnn2C)[C@H](OC)C1 1212179875 AJNIUULMPKAGRZ-HUUCEWRRSA-N 322.409 -0.019 30 20 DBED C#CCCN1C[C@@H](NC(=O)C(C)(C)CNC(C)=O)[C@H](OC)C1 1213564661 CPZPASXLBBITFK-ZIAGYGMSSA-N 309.410 -0.013 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)Cc2ccco2)[C@H](OC)C1 1213600233 MMDOYELIOVLBSS-ZIAGYGMSSA-N 319.361 -0.613 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)c2cc(C)[nH]n2)C[C@H]1C 1214229135 WKFYEVSVENLEJU-ZWNOBZJWSA-N 303.366 -0.482 30 20 DBED C#CCN[C@@H]1CN(C(=O)CCNC(=O)[C@H]2CCCO2)C[C@H]1C 1217037906 PTHJRWWUNIRYFB-MGPQQGTHSA-N 307.394 -0.259 30 20 DBED COCC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cccnn1 1218814393 QDMXAVBYMSJOHM-LSDHHAIUSA-N 316.361 -0.348 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2cnns2)C[C@@H]1O 1219605104 JEEBUAQORGNIDR-JLLWLGSASA-N 310.379 -0.762 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)Cc2cncs2)C1 1219840983 AZYKCLTZJPNLQB-OLZOCXBDSA-N 309.391 -0.503 30 20 DBED C#CCCCCCC(=O)N[C@@H]1CN([C@H]2CCN(C)C2=O)C[C@@H]1O 1220146723 OARPZFSAHKTRDG-ILXRZTDVSA-N 321.421 -0.038 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1CC[C@@H]2CN(C(C)=O)[C@@H]2C1 1221209347 QGFIYZSGCWSJIY-CYZMBNFOSA-N 308.382 -0.061 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)CNC(=O)c3cccnc3)[C@@H]2C1 1221827471 HIWPDKAGGGUIOQ-HUUCEWRRSA-N 312.373 -0.023 30 20 DBED Cn1[nH]c(CN2CCC(NC(=O)C#CC3CC3)CC2)nc1=O 1227289753 IKGDIXDAAJZLNO-UHFFFAOYSA-N 303.366 -0.398 30 20 DBED C#CCCN1CCC(NC(=O)[C@@H](CCC(N)=O)NC(C)=O)CC1 1229625800 MGKQTFDHXPAMNZ-CQSZACIVSA-N 322.409 -0.640 30 20 DBED CCO[C@@H](C)C(=O)NCC[C@H]1CN(CC#N)CCS1(=O)=O 1230425705 QPAHSUZINYOHRI-RYUDHWBXSA-N 317.411 -0.460 30 20 DBED N#CCN1CCS(=O)(=O)[C@H](CCNC(=O)c2cncnc2)C1 1230449725 KBRDNLPQZKJGCD-GFCCVEGCSA-N 323.378 -0.781 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)c1cncnc1 1233819629 NQVBENSGAWXKPS-ZDUSSCGKSA-N 301.350 -0.628 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N[C@@H](C)c1nnc2n1CCC2 1256954918 BJYQWXIFZOMAHZ-UWVGGRQHSA-N 307.354 -0.281 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1Cn1nnnc1N(C)[C@H]1CCNC1=O 1262426606 COCHUTVKSUHAND-WOPDTQHZSA-N 306.370 -0.021 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)c2cn(C)nc2C)C1 1267722984 NUFOGEDVSJCMNM-LBPRGKRZSA-N 303.366 -0.718 30 20 DBED C#CCNC(=O)C1CCN(C(=O)C(=O)N[C@H]2CCSC2)CC1 1322689066 YOUYHHMMPAGWOE-LBPRGKRZSA-N 323.418 -0.404 30 20 DBED C#CCSCCNC(=O)C(=O)N1CC[S@](=O)[C@@H](C)[C@H]1C 1323045912 XHRQPKREVLOANP-NLQQUQSOSA-N 316.448 -0.163 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@@H](C=C)COC)C1=O 1324239559 WQPIKVQBAUFBOG-NWDGAFQWSA-N 309.366 -0.451 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCN(C2CCCC2)CC1 1326805329 ZPDJABUTYCHXCT-UHFFFAOYSA-N 307.394 -0.161 30 20 DBED CNS(=O)(=O)[C@H]1CCCN(C(=O)[C@H](N)CCCC#N)C1 1327855862 GIYCHJSPYKNBJA-WDEREUQCSA-N 302.400 -0.452 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CCOC[C@H]2CC)nn1 1329222432 LISPFRSEHLYHNB-GFCCVEGCSA-N 307.354 -0.282 30 20 DBED C#CCNC(=O)C1CCN(C(=O)[C@H](C)[C@H]2CCC(=O)N2)CC1 1331692837 AZSKPDZSRMBOJD-DGCLKSJQSA-N 305.378 -0.111 30 20 DBED C=CCn1c(N2CCNC(=O)[C@H]2CC)nnc1[C@]1(O)CCOC1 1342442809 LLSWRTMMEQDLCP-ABAIWWIYSA-N 321.381 -0.213 30 20 DBED CC(=O)CCCC(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1 1343468356 AIFUEGKPSLZNHJ-NSHDSACASA-N 314.363 -0.288 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)c2cnn(C[C@H](O)CO)c2)C1=O 1347762994 MVNKRRWEKYJWMR-STQMWFEESA-N 322.365 -0.905 30 20 DBED C[C@@H]1OCCN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)[C@@H]1C 1351771124 YTTKBVKGZIFXCY-DYEKYZERSA-N 320.393 -0.179 30 20 DBED C#Cc1cccc(Cn2nnnc2N2CCN3C(=O)NC[C@@H]3C2)c1 1355780390 HOTSPACYFWYNQH-CQSZACIVSA-N 323.360 -0.084 30 20 DBED CCn1cc(CN(C)C(=O)Cn2cc(C#N)c(O)nc2=O)cn1 1361865935 BOWDWYVEIWEERB-UHFFFAOYSA-N 316.321 -0.304 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CC(=O)N1CCO[C@H](C)C1)C1CC1 1366736719 CCMVNURSMWNJQA-QWHCGFSZSA-N 322.409 -0.026 30 20 DBED C[C@H](C#N)C(=O)NCC1CCN(C(=O)Cn2cnnn2)CC1 1372147595 IPRZAHQUJKVAMP-SNVBAGLBSA-N 305.342 -0.812 30 20 DBED CC(=O)NCC(=O)N[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 1372501033 VVSGFWJZQAYGSE-NSHDSACASA-N 303.322 -0.647 30 20 DBED CCN(CCC#N)C(=O)CN[C@H](C)CNC(=O)c1cnnn1C 1402871164 OMQGMSHKQFOHFN-LLVKDONJSA-N 321.385 -0.715 30 20 DBED COC(=O)C1(C#N)CCN(S(=O)(=O)c2ccnn2C)CC1 1414257222 MHLDMIPZGKSKGN-UHFFFAOYSA-N 312.351 -0.112 30 20 DBED N#C[C@H]1CN(S(=O)(=O)N[C@H](CCO)C(F)(F)F)CCO1 1414342091 BHAWYHHPSDDRRF-JGVFFNPUSA-N 317.289 -0.642 30 20 DBED C=C(Cl)CN1CC(O)(CNC(=O)[C@@H]2CCCN2C(N)=O)C1 1423927007 WUVUSWAOXITOGH-JTQLQIEISA-N 316.789 -0.555 30 20 DBED C[C@H](CNC(=O)CN(C)C(=O)C1CC1)CNC(=O)[C@H](C)C#N 1432984262 ZBESANSAXGFUGS-GHMZBOCLSA-N 308.382 -0.117 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)C1(F)CCOCC1 1433311645 WMRPNIXZGFOQAY-VHSXEESVSA-N 301.318 -0.742 30 20 DBED CC[C@H](CNC(=O)c1ccc(C(N)=O)nc1)NC(=O)[C@H](C)C#N 1450991852 LSROUXZYAPUSOV-MWLCHTKSSA-N 317.349 -0.035 30 20 DBED C[C@H](CN(C)C(=O)c1ncn(C)n1)NC(=O)c1cc(C#N)c[nH]1 1451016817 JCUGJLCSDVUQCD-SECBINFHSA-N 315.337 -0.095 30 20 DBED CC[C@@H](NC(C)=O)C(=O)NCCN(C)C(=O)c1c[nH]c(C#N)c1 1455493397 JJJAIJFLRPZGRD-CYBMUJFWSA-N 319.365 -0.011 30 20 DBED CCN(C[C@H](C)C#N)C(=O)Cn1nnc(CCC(=O)OC)n1 1459169128 ONAOESZCRMORGD-SNVBAGLBSA-N 308.342 -0.213 30 20 DBED C=C(Br)CNC[C@H](O)CNC(=O)c1cn[nH]c1 1482711259 LTNYRHNCEXIPCW-VIFPVBQESA-N 303.160 -0.001 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1cc(C2CC2)nn1C 1501547106 UHPTXOOABRCICX-MWLCHTKSSA-N 319.365 -0.336 30 20 DBED C[C@@H](C#N)C(=O)N(C)CC(C)(C)CNCc1nc(=O)n(C)[nH]1 1505801947 XBVYDBUNPJFWCA-JTQLQIEISA-N 308.386 -0.158 30 20 DBED Cc1ocnc1C(=O)NC[C@@]1(O)CCN(C(=O)[C@H](C)C#N)C1 1537312581 JREDRKBEUPMWHO-OTYXRUKQSA-N 306.322 -0.164 30 20 DBED C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)NC(=O)[C@H](C)C#N 1573584705 CCMJPPZIMFSAKT-SFYZADRCSA-N 316.325 -0.411 30 20 DBED C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN2)n1Cc1nnn(C)n1 1574485618 FSHYEZPXGITSOY-MNOVXSKESA-N 315.385 -0.268 30 20 DBED C#CC[C@@]1(C(=O)NCCCN2CCC[C@H]2C(N)=O)CCCN1 1574516845 IXHCYFHNWKBGOH-BBRMVZONSA-N 306.410 -0.412 30 20 DBED CCS(=O)(=O)C1CN(c2cnc(C#N)c(-c3nn[nH]n3)n2)C1 1578408666 XEBRIEWEHBXNFR-UHFFFAOYSA-N 320.338 -0.848 30 20 DBED COC(=O)C[C@H](N)C(=O)N1CCN(c2ncccc2C#N)CC1 1578814996 JKJVVOCGXIOUFU-LBPRGKRZSA-N 317.349 -0.508 30 20 DBED N#Cc1cn(CCC(=O)N[C@]23CCC[C@H]2NCC3)c(=O)nc1O 1580080876 KEHIKVHOTMSMAR-ABAIWWIYSA-N 317.349 -0.389 30 20 DBED C#CC1(O)CN(S(=O)(=O)c2ccc(OC)cc2C(=O)O)C1 1588382428 OUBRYKRCYAISCX-UHFFFAOYSA-N 311.315 -0.238 30 20 DBED C#CCN(CC(=O)O)C(=O)CNC(=O)c1ccccc1OC 1588402453 VBUFSQJDJXTHCI-UHFFFAOYSA-N 304.302 -0.029 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1C[C@@H](C(=O)O)[C@H](C2CC2)C1 1588693389 XRABYBMHHFSTRW-GRYCIOLGSA-N 310.350 -0.127 30 20 DBED C=CCn1c([C@H]2CNC(=O)C2)nnc1N1CCO[C@@H](C(=O)O)C1 1588898015 QJZLDCRIRGRPOR-NXEZZACHSA-N 321.337 -0.643 30 20 DBED Cc1cc(S(=O)(=O)O[C@H]2CNOC2)ccc1-c1nn[nH]n1 1592067702 PUENZQHZXGIURP-QMMMGPOBSA-N 311.323 -0.216 30 20 DBED C[C@H](NC(=O)[C@H](C)NC(=O)CC1(C#N)CCOCC1)C(=O)O 1599895825 ISJLUPNMPMKOLP-UWVGGRQHSA-N 311.338 -0.209 30 20 DBED C[C@H]1CN(C(=O)NC2CCN(CC#N)CC2)C[C@@H](C(=O)O)O1 1599918870 QGSUZMQQOSSLLO-JQWIXIFHSA-N 310.354 -0.142 30 20 DBED C[C@H]1CN(S(=O)(=O)c2ccc(C#N)nc2)C[C@@H](C(=O)O)O1 1599930945 QKUZIAGXOCGXLO-KWQFWETISA-N 311.319 -0.184 30 20 DBED O=C(O)[C@H]1C[C@@H]1C(=O)NC1(CCO)CN(C(=O)C#CC2CC2)C1 1601777295 HIRZHKNZWZLRMM-RYUDHWBXSA-N 320.345 -0.800 30 20 DBED C=C[C@H](CO)NS(=O)(=O)Cc1cccc(-c2nn[nH]n2)c1 1602888323 NLQPVDORYIQSJN-LLVKDONJSA-N 309.351 -0.167 30 20 DBED COCCN1CC[C@@H](Nc2cnc(C#N)c(-c3nn[nH]n3)n2)C1 1605105347 WNOIWNZIYCQZOG-SECBINFHSA-N 315.341 -0.339 30 20 DBED N#CCNC(=O)CN1CCC[C@H](NC(=O)c2csnn2)C1 1732091667 BUABLUGNVJUOGA-VIFPVBQESA-N 308.367 -0.628 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1CCN(CC(=O)NC)C1 1732152901 VXNOHXISGUOFKY-STQMWFEESA-N 310.398 -0.606 30 20 DBED C=CCNC(=O)[C@H](C)N(C)CCCNC(=O)[C@H]1CCCNC1=O 1751994677 KFOOJUCZWXZHGR-STQMWFEESA-N 324.425 -0.359 30 20 DBED C#CCNC(=O)CN(CC)CCNC(=O)c1ccnc(C)n1 1753094260 DNHHTALTZYJVOL-UHFFFAOYSA-N 303.366 -0.414 30 20 DBED C=CCN1CC[C@@H](N2CC[C@@H](N(CC)C(=O)CC(N)=O)C2)C1=O 1753455908 XMJTZYSEAWNLSI-CHWSQXEVSA-N 322.409 -0.429 30 20 DBED C#CCNC(=O)CNC[C@@H](C)CNC(=O)c1oc(C)nc1C 1753608245 GKXPMBMBQPQXDC-SNVBAGLBSA-N 306.366 -0.004 30 20 DBED CN(C)S(=O)(=O)CCC(=O)NCC1(NCC#N)CCCC1 1753670365 ACEJKNQUTJFFET-UHFFFAOYSA-N 316.427 -0.190 30 20 DBED C#CCNC(=O)CNC[C@H](C)N(C)C(=O)Cc1cccnc1 1753685447 MBOMPGILWLOGFT-ZDUSSCGKSA-N 302.378 -0.190 30 20 DBED C[C@H]1CN(C(=O)CC2(O)CCC2)CC[C@H]1NCC(=O)NCC#N 1753754876 ZUJOPYABAYKNCV-QWHCGFSZSA-N 322.409 -0.242 30 20 DBED C#CCNC(=O)[C@H](C)NCC[C@@H](C)NC(=O)c1cnn(CC)n1 1753963227 HMDSXIZVXXUNTR-NEPJUHHUSA-N 320.397 -0.466 30 20 DBED N#CCSCC(=O)NC[C@@H]1CCN1CC(=O)NCC1CC1 1754473804 QNWMYSXYMBOJHA-LBPRGKRZSA-N 310.423 -0.040 30 20 DBED C=CCCCN1CC[C@H]1CNC(=O)CN1CCN(C)C(=O)C1 1754488305 ZZPSDEWLBLXKBR-AWEZNQCLSA-N 308.426 -0.083 30 20 DBED C#CCNC[C@H](NC(=O)CCNS(C)(=O)=O)C1CCCC1 1754651574 WPQRJCIAVCKUMD-ZDUSSCGKSA-N 315.439 -0.177 30 20 DBED C[C@@]1(NC(=O)Cc2ncc[nH]2)CCN(CC(=O)NCC#N)C1 1754681836 IXSMQIWYARXGBJ-CQSZACIVSA-N 304.354 -0.827 30 20 DBED C=CCN1CC(O)(CNC(=O)c2ccc3oc(O)nc3n2)C1 1754777870 FQSVZGMOMIJHQI-UHFFFAOYSA-N 304.306 -0.109 30 20 DBED C=CCC[C@@H](C)N1CCC[C@](CO)(NC(=O)Cn2ncnn2)C1 1754856793 RJPCLOXXSJCTKE-HIFRSBDPSA-N 322.413 -0.029 30 20 DBED CC(=O)N1CC[C@@](C)(C(=O)NC[C@@H]2COCCN2CC#N)C1 1754972731 NYYXAPJXVLOVKA-UKRRQHHQSA-N 308.382 -0.415 30 20 DBED CN(CC(C)(C)CNCC(=O)NCC#N)C(=O)c1ncccn1 1755285421 IZQGSNRAPKMJEF-UHFFFAOYSA-N 318.381 -0.196 30 20 DBED C#CCCN1CC(CCO)(NC(=O)[C@H]2CC(=O)N(CC)C2)C1 1755334006 RCAPHSLXHYGKDA-ZDUSSCGKSA-N 307.394 -0.569 30 20 DBED C#CCCN[C@@H](CO)CNC(=O)c1cnn2cc(C)cnc12 1755640241 HWFNXXBFUHRNCQ-GFCCVEGCSA-N 301.350 -0.259 30 20 DBED COCC#CCN[C@H](CO)CNC(=O)c1c[nH]nc1C1CC1 1755643254 HQOKFKOLCODUNK-LBPRGKRZSA-N 306.366 -0.383 30 20 DBED CC#CCN1CCC[C@@H](NC(=O)CS(=O)(=O)NC)[C@@H]1C 1755721540 OHFZUOKJVMNJMR-NWDGAFQWSA-N 301.412 -0.472 30 20 DBED CC#CCNC[C@H](O)CN(C)C(=O)COc1c(C)nn(C)c1C 1755779479 KXQPCEKJDVDLLI-AWEZNQCLSA-N 322.409 -0.152 30 20 DBED Cc1cncn1CC(=O)NCCOCCN(C)C(=O)[C@@H](C)C#N 1756378687 UBACKSOAOHPZPB-LBPRGKRZSA-N 321.381 -0.058 30 20 DBED C#CCCCC(=O)NC[C@@H](O)CN(C)C(=O)[C@@H]1CCCNC1=O 1756666766 GBFUMHBFOTZJLD-CHWSQXEVSA-N 323.393 -0.748 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@@H](NC(=O)C#CC2CC2)[C@H](OC)C1 1757127433 GPTPCFRRXDROOY-BPLDGKMQSA-N 318.373 -0.220 30 20 DBED COc1ccc(C=NNC2=NCC(=O)N2)c(OCC(=O)O)c1 1776097600 QHRYMOIINLKCFG-UHFFFAOYSA-N 306.278 -0.432 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cncnc1)CCO2 1783049566 FOYMAQGLBACKDU-HNNXBMFYSA-N 300.318 -0.447 30 20 DBED Cc1nn[nH]c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC#N)C2 1795977070 STBOVTGPWYMVKQ-DDFAGTSDSA-N 318.337 -0.770 30 20 DBED Cc1nnc(SCC(=O)N[C@@](C)(C#N)C2CC2)n(N)c1=O 5994652 SOUICNULFJQROA-LBPRGKRZSA-N 308.367 -0.439 30 20 DBED C=C(Br)CNC(=O)CN1CCS(=O)(=O)CC1 49280720 LYSCULGKNGNXHL-UHFFFAOYSA-N 311.201 -0.258 30 20 DBED C#CCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C 138499120 JUMNZRXGJZVJGF-UHFFFAOYSA-N 311.363 -0.591 30 20 DBED CCN(C[C@@H](C)C#N)[C@@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O 155203145 HDZXZGPIYBYCKN-UWVGGRQHSA-N 321.381 -0.281 30 20 DBED CC[C@@H]1CN(/C(=N\C)NCCN2C(=O)CNC2=O)CCS1 261799793 GVQPCDYFDMRRFL-SNVBAGLBSA-N 313.427 -0.059 30 20 DBED C=CCN(C(=O)[C@@H]1CC[C@H](CN)O1)[C@@H]1CCS(=O)(=O)C1 261848539 RGSUMEJZHMQNQC-UTUOFQBUSA-N 302.396 -0.306 30 20 DBED C=CCN/C(N)=N/CCC(=O)N1CCN(c2ncccn2)CC1 264278576 NFYDFQVMESWBSR-UHFFFAOYSA-N 317.397 -0.394 30 20 DBED Cn1c(N2CCC[C@H]2C(=O)NC2CC2)c(C#N)c(=O)n(C)c1=O 264945779 VGGANGHKWOVUKQ-NSHDSACASA-N 317.349 -0.797 30 20 DBED C=CCNC(=O)CNC(=O)NC[C@H]1CCCN1S(C)(=O)=O 271968127 MPRSPFKITIIKPI-SNVBAGLBSA-N 318.399 -0.988 30 20 DBED C=CCN1CC[C@@H](N(C)c2c(C#N)c(=O)n(C)c(=O)n2C)C1=O 281917394 QDGXTGIEGHHRQL-LLVKDONJSA-N 317.349 -0.821 30 20 DBED C#CCN(CC#N)C(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 282041332 QWNACSPOOICUHF-NEPJUHHUSA-N 323.374 -0.993 30 20 DBED COCCn1cc(CNS(=O)(=O)N(C)C[C@@H](C)C#N)cn1 282493175 YKBGMUMVXXVMFZ-NSHDSACASA-N 315.399 -0.045 30 20 DBED C=CCNC(=O)CNC(=O)N1C[C@@H](N2CCOCC2)C[C@@H]1C 287045173 TUBSKGPIJXUJFE-STQMWFEESA-N 310.398 -0.207 30 20 DBED C=C[C@@H](CO)NC(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O 290900707 CJNANEXQFQYTPJ-WDEREUQCSA-N 307.354 -0.238 30 20 DBED C/N=C(/O)N1CCN(C(=O)c2cnc3c(c2)nnn3C)CC1 329425908 IZCQSCGYQOHKDK-UHFFFAOYSA-N 303.326 -0.335 30 20 DBED C[C@H](CN1CCOCC1)/N=C(/O)N[C@@H]1CS(=O)(=O)C[C@@H]1C 329597313 IZFJYCVUCRHMIC-QJPTWQEYSA-N 319.427 -0.356 30 20 DBED CN1CCO[C@@H](C/N=C(/O)N2CCc3nn(C)c(=O)cc3C2)C1 329779515 QZVGBKZGEJXEBN-LBPRGKRZSA-N 321.381 -0.617 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CCC[C@@H](S(C)(=O)=O)C1 336935665 FLBSERLONFRHRR-LLVKDONJSA-N 323.440 -0.024 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)NCCc2cscn2)CCO1 336948642 QUNLOZGDORIXLM-SNVBAGLBSA-N 302.381 -0.256 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N1CC[C@@H](S(C)(=O)=O)C1 337763830 LNRISXZCJBPQQW-NXEZZACHSA-N 309.413 -0.416 30 20 DBED COC(=O)C1(O)CCN([C@@H](C)C(=O)NC2(C#N)CCC2)CC1 346520359 HXFNAYZEPJEWQV-NSHDSACASA-N 309.366 -0.063 30 20 DBED C=CCNC(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1 347414643 PSKGNKUAGMDWCI-UHFFFAOYSA-N 301.299 -0.286 30 20 DBED C[C@@H](C#N)C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 357818180 CEFVCTBUNFVAOU-LBPRGKRZSA-N 316.365 -0.209 30 20 DBED COC(=O)CN(CCN1CCN(C)CC1)C(=O)CCCC#N 360550884 JWWXCCNGLDXNQW-UHFFFAOYSA-N 310.398 -0.071 30 20 DBED N#Cc1ccccc1OC[C@H](O)CN1CCN(CCO)CC1 386977961 YWQCAAQZLHBWID-OAHLLOKOSA-N 305.378 -0.092 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@H]2C[C@H]3CC[C@H]2NC3)CC1 394699273 UAWSAERXZPTALF-QLFBSQMISA-N 320.437 -0.179 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N[C@@H]1CCCS(=O)(=O)C1 407978122 WSAOBWLVKKRBMF-VHSXEESVSA-N 309.413 -0.368 30 20 DBED CN1CCN(CCNC(=O)N2CCO[C@@H](C#N)C2)CC1(C)C 408429558 YTEUWGNVDVVICR-ZDUSSCGKSA-N 309.414 -0.054 30 20 DBED C=CCC[C@H](CO)NC(=O)N[C@@H](CC)CNS(C)(=O)=O 458953977 JYXDVJVCKWTLFJ-WDEREUQCSA-N 307.416 -0.060 30 20 DBED CNS(=O)(=O)[C@@H]1CCN(c2nccc(C#N)c2[N+](=O)[O-])C1 532756186 OORMTTLELCPSQJ-SECBINFHSA-N 311.323 -0.011 30 20 DBED CCN1C[C@@H](CNS(=O)(=O)N(C)C[C@@H](C)C#N)CC1=O 593641833 UAOSLWXWFROZQS-WDEREUQCSA-N 302.400 -0.219 30 20 DBED COC(=O)COCCNC(=O)C(=O)Nc1cccc(C#N)c1 600046026 VLFXPOCBHCVBGL-UHFFFAOYSA-N 305.290 -0.197 30 20 DBED COC(=O)C[C@H](O)CNC(=O)CNC(=O)c1ccc(C#N)cc1 600458454 MBJKSSZQTLZLKX-LBPRGKRZSA-N 319.317 -0.672 30 20 DBED CCN(C[C@H](C)C#N)C(=O)Cn1cc(CN2CCNCC2)nn1 603210367 WPZOEZDMZPQRAF-CYBMUJFWSA-N 319.413 -0.309 30 20 DBED COC(=O)[C@@H](COC(C)C)N(C)C(=O)Cn1cnc(C#N)n1 610887654 MUIOMOVZDRHYRL-SNVBAGLBSA-N 309.326 -0.425 30 20 DBED CN(CCC#N)S(=O)(=O)N1CCN([C@H]2CCOC2)CC1 611157838 HYLHLMFWLOGJDR-LBPRGKRZSA-N 302.400 -0.517 30 20 DBED C=CCC1(NC(=O)CN2CCS(=O)(=O)CC2)CCOCC1 618246669 UFSLGTLKIKJLEX-UHFFFAOYSA-N 316.423 -0.042 30 20 DBED CC#CC[C@@H](CO)NC(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 645211961 WOXIALIHIRSDNS-NEPJUHHUSA-N 317.411 -0.516 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCCOC(C)C)C1=O 673008034 AJUXXFGKSHMGQF-GFCCVEGCSA-N 311.382 -0.227 30 20 DBED CO[C@@]1(CNC(=O)[C@@H](N)CCCC#N)CCS(=O)(=O)C1 720914446 MEGFBAVYXAJULK-CMPLNLGQSA-N 303.384 -0.673 30 20 DBED N#Cc1nc(NC(=O)CCN2CCCC2=O)[nH]c1-c1nn[nH]n1 737705227 MANKOIWKGXVGDU-UHFFFAOYSA-N 315.297 -0.588 30 20 DBED C#CCOCCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 755423402 YCGLNNAHQBUVIT-ZDUSSCGKSA-N 314.407 -0.642 30 20 DBED CNS(=O)(=O)CCC(=O)O[C@H](C)C(=O)N(C)CCC#N 767104489 LWXXRMVOYAZHHV-SECBINFHSA-N 305.356 -0.771 30 20 DBED C#CCOc1ccc(F)cc1NC(=O)C(=O)NCCC(N)=O 782679580 BKVDUNQOFGPTSX-UHFFFAOYSA-N 307.281 -0.232 30 20 DBED C#CCOCCNS(=O)(=O)c1ccc2nc(O)nc(O)c2c1 784451147 DJSMMZJXNLFAFE-UHFFFAOYSA-N 323.330 -0.031 30 20 DBED C#CCCCNC(=O)C(=O)NCCNC(=O)c1cccnc1 787620599 AYZOEHOSSABFFA-UHFFFAOYSA-N 302.334 -0.543 30 20 DBED C#C[C@H](NC(=O)C(=O)N(CCO)CCCOC)[C@@H]1CCCO1 809313681 WOHOQGBISSJPTA-STQMWFEESA-N 312.366 -0.859 30 20 DBED CN(CC(=O)NCC(=O)O)S(=O)(=O)c1cccc(C#N)c1 820562832 WKQQOWFVPHBICI-UHFFFAOYSA-N 311.319 -0.620 30 20 DBED C#CC[C@H](NC(=O)[C@@H]1CNC(=O)C[C@H]1C(F)(F)F)C(=O)OC 823519092 KZJHHYGIZKCCCO-HLTSFMKQSA-N 320.267 -0.018 30 20 DBED C=C[C@H](CO)NC(=O)COc1nsnc1N1CCOCC1 824723919 IXDHHCLFULPUHA-SECBINFHSA-N 314.367 -0.583 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)NCc1ncnn1CC 828813766 VPIGBUXMWATUBP-UHFFFAOYSA-N 307.354 -0.588 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N1CCN2CCOC[C@H]2C1 875595590 CAZCZQXQAXIWJW-ZIAGYGMSSA-N 323.393 -0.926 30 20 DBED N#CCOC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 912685218 YVHCNSJHNOREFJ-UHFFFAOYSA-N 323.330 -0.513 30 20 DBED C#CCN1CCC[C@H](NC(=O)Cc2ccc(C(N)=O)nc2)C1 923595646 XBBOIAGBKLVOBP-ZDUSSCGKSA-N 300.362 -0.063 30 20 DBED CCOC(=O)c1cc2n(n1)C[C@@H](C)N(C(=O)NCC#CCO)C2 923759858 GJKQZTQMIGWMBC-LLVKDONJSA-N 320.349 -0.031 30 20 DBED C[C@@H](C#N)C(=O)N1CCCN(C(=O)C2CS(=O)(=O)C2)CC1 941153551 PNURTUINQSBITC-JTQLQIEISA-N 313.379 -0.748 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](NC(=O)[C@@H]2CCC(=O)N2)[C@H](OC)C1 944115396 KUENACPRHDEBTO-QJPTWQEYSA-N 323.393 -0.181 30 20 DBED C#CCN1CC[C@H](NC(=O)CN2CCCS2(=O)=O)C[C@H]1C 947365865 VBZVYPBKRIXLBM-OLZOCXBDSA-N 313.423 -0.376 30 20 DBED C=CCCN1CC[C@H](NC(=O)CN2CCNC(=O)C2)C[C@@H]1C 947619924 KVJQKJMFHGTDAS-KBPBESRZSA-N 308.426 -0.037 30 20 DBED C[C@H](C#N)C(=O)N1CCC(NC(=O)c2cc(=O)n(C)o2)CC1 948099670 WMXXVPNTAPQTTO-SECBINFHSA-N 306.322 -0.141 30 20 DBED Cc1nn[nH]c1C(=O)NC[C@@H]1CCN1C(=O)c1c[nH]c(C#N)c1 951441991 KBSZBJGVEIKSBN-NSHDSACASA-N 313.321 -0.043 30 20 DBED C=CCCN1CCN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)CC1 951793458 RXVKZIXKRIWCFR-UHFFFAOYSA-N 316.365 -0.209 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H](NC(=O)c2nccnc2N)C1 951865485 SGXSPVHWAFEPHZ-UWVGGRQHSA-N 302.338 -0.061 30 20 DBED C#CCN1C[C@H]2C(NC(=O)[C@H]3C[C@H](OC)CN3C(C)=O)[C@@H]2C1 961355341 HGKUQYWJEYHMAJ-REWJHTLYSA-N 305.378 -0.698 30 20 DBED C#CCCN1C[C@H]2C(NC(=O)c3cnn4c(=O)cc[nH]c34)[C@@H]2C1 961980080 HHFXLUNUYCAHJN-VXGBXAGGSA-N 311.345 -0.294 30 20 DBED N#CCN1C[C@H]2[C@H](NC(=O)c3ccccc3-n3cnnn3)[C@H]2C1 962505334 FEJIZPGOUMMQLO-IMRBUKKESA-N 309.333 -0.154 30 20 DBED COCC(=O)N1CCOC[C@H]1CNC(=O)c1c[nH]c(C#N)c1 964145206 IQCIECXMIWYDDR-GFCCVEGCSA-N 306.322 -0.510 30 20 DBED CCN(C(=O)[C@H]1CN(C)C[C@@H](C)O1)C1CN(C(=O)[C@H](C)C#N)C1 968097535 QBFDFJJIMVOCAS-YRGRVCCFSA-N 322.409 -0.076 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@@H](N[C@@H]3CCCNC3=O)C2)c1 968341381 OLZSXGURGQUIJG-VXGBXAGGSA-N 301.350 -0.031 30 20 DBED C[C@@H]1CCN(CC#N)C[C@H]1NC(=O)CN1C(=O)CN(C)C1=O 968628200 UQMDDJPXHGMFAM-GHMZBOCLSA-N 307.354 -0.769 30 20 DBED N#CCN1CCCCC[C@@H]1CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 969028059 PGMUGYDTGNHPPQ-FRRDWIJNSA-N 308.382 -0.096 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2COC(=O)N2)C1 973231202 NPARQSROLGRTJA-JCIQBVFBSA-N 323.349 -0.551 30 20 DBED NC(=O)C(=O)N1CC[C@@H]2[C@H](CCCN2C(=O)C#CC2CC2)C1 973740333 RRSYJKUXHFBSRJ-CHWSQXEVSA-N 303.362 -0.275 30 20 DBED CC(=O)N1CC(C(=O)N[C@H]2[C@@H]3CN(C(=O)[C@@H](C)C#N)C[C@@H]32)C1 976411777 PRSGVBBVPLLVSA-HWNAMQAFSA-N 304.350 -0.803 30 20 DBED CC#CCN1C[C@H]2C(CNC(=O)[C@@H]3CCCN3C(N)=O)[C@@H]2C1 979118782 TVCSZFGHEAYEMZ-IHRRRGAJSA-N 304.394 -0.153 30 20 DBED C#CCN[C@@H]1CN(C(=O)Cn2nc(C)n(C)c2=O)CC1(C)C 996576030 TURKDZCTVSFITR-GFCCVEGCSA-N 305.382 -0.650 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)[C@]2(C)CCC(=O)N2)C1 1000031774 BKIGUESNOOWRIW-WQGACYEGSA-N 321.377 -0.427 30 20 DBED C[C@H](NC(=O)c1c[nH]c(C#N)c1)C1CN(C(=O)c2nc[nH]n2)C1 1005942922 GHWOADGXGWTEDW-QMMMGPOBSA-N 313.321 -0.105 30 20 DBED C[C@@H](C#N)C(=O)N1CCCC2(C1)CN(C(=O)[C@@H]1CCC(=O)N1)C2 1010756537 NBDCOARZDCFJHS-RYUDHWBXSA-N 318.377 -0.124 30 20 DBED N#CCN1CCC2(CC1)C[C@@H]2NC(=O)C[C@@H]1NC(=O)NC1=O 1016664938 SGZGZARCWVFBKD-UWVGGRQHSA-N 305.338 -0.921 30 20 DBED C=CCN1CCC2(CC1)C[C@H]2NC(=O)[C@H]1CCS(=O)(=O)N1 1016978369 HODHEBWZAFSNLM-VXGBXAGGSA-N 313.423 -0.165 30 20 DBED C#CCCN1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@@H]1NC(=O)NC1=O 1017626373 KKCMCHVBTYHHDF-TUAOUCFPSA-N 304.350 -0.717 30 20 DBED N#CCN[C@H]1C[C@H](NC(=O)Cn2nc3ccccn3c2=O)C1 1020449586 NMNKGCJSQXDALZ-XYPYZODXSA-N 300.322 -0.744 30 20 DBED C=C(Cl)CN[C@H]1C[C@H](NC(=O)CN2CCC(=O)NC2=O)C1 1020886058 JXESMJCYFYKQSC-MGCOHNPYSA-N 314.773 -0.082 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CCN(C(=O)c3cn(C)c(O)n3)[C@@H]2C1 1022602247 VZOFPWDLEFSHMF-JFGNBEQYSA-N 317.349 -0.042 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2ccc(F)cn2)C1 1024332409 HEQADVJYOGFQBR-OASPWFOLSA-N 320.324 -0.389 30 20 DBED CC#CCN1CCO[C@H](CNC(=O)[C@H]2CCCCC(=O)N2)C1 1035513157 SKUZJCYJOSMORF-ZIAGYGMSSA-N 307.394 -0.115 30 20 DBED C#Cc1cncc(C(=O)N2CC[C@H](NCC(N)=O)[C@H](C)C2)c1 1036181274 PYXUGKJCLXKIEQ-RISCZKNCSA-N 300.362 -0.012 30 20 DBED C=C(Cl)CN1C[C@H]2C[C@H]1[C@H]2NC(=O)CN1CC(=O)NC1=O 1037632158 XKOLXAITUNWHPK-PTRXPTGYSA-N 312.757 -0.520 30 20 DBED C[C@H]1[C@@H](N=c2cc[nH]c(C#N)n2)CCN1C(=O)[C@@H]1COCCO1 1040044967 ZLBBXCFFQVQQRA-SRVKXCTJSA-N 317.349 -0.413 30 20 DBED C[C@H]1[C@@H](Nc2ccc(C#N)nn2)CCN1C(=O)Cn1ncnn1 1040186739 KBPOWQHHUHUGRB-ONGXEEELSA-N 313.325 -0.564 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)C2CCCC2)C1 1041118100 HFJLJOVCHUQTGD-UHFFFAOYSA-N 308.378 -0.094 30 20 DBED N#Cc1nccnc1N[C@H]1C[C@H](NC(=O)C(N)=O)C12CCC2 1041614008 XDBAJSARXHJEOY-UWVGGRQHSA-N 300.322 -0.327 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)C2CCOCC2)C1 1042040237 RBOXSQIFAMIMDY-UHFFFAOYSA-N 312.366 -0.695 30 20 DBED CC[C@@H](F)C(=O)N1CC(O)(CNC(=O)c2cc(C#N)c[nH]2)C1 1042401649 PGBYNFYNVRMAGA-SNVBAGLBSA-N 308.313 -0.062 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)Cc2nonc2C)C1 1042799849 WGINUYMAFNNEPT-UHFFFAOYSA-N 320.349 -0.586 30 20 DBED C=C(C)CCN1CC(N(C)C(=O)Cn2ccc(=O)n(C)c2=O)C1 1042845634 BMHWPRJHFMVPHM-UHFFFAOYSA-N 320.393 -0.344 30 20 DBED Cc1cc[nH]c1C(=O)NCC1(O)CN(C(=O)CSCC#N)C1 1042845752 LYMPSUOWHNHRDI-UHFFFAOYSA-N 322.390 -0.117 30 20 DBED O=C(C#CC1CC1)NCC1(O)CN(C(=O)CN2CCCC2)C1 1042963226 KBNFHIIJBHFYGR-UHFFFAOYSA-N 305.378 -0.815 30 20 DBED C=C(C)CCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCC(=O)N2C)C1 1043315021 LAWJWGGDLWIESC-LBPRGKRZSA-N 323.393 -0.347 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)CN3CCCC3)C2)cn1 1043972105 XTXLLBDIOQLTDR-CABCVRRESA-N 315.377 -0.285 30 20 DBED C=CCn1cc(C(=O)N(C)C2CN([C@@H]3CCN(C)C3=O)C2)nn1 1044022608 PBZNXQAVIMTGSM-CYBMUJFWSA-N 318.381 -0.549 30 20 DBED CC#CCN1CC[C@@H](N2CCN(C(=O)[C@H]3CCC(=O)N3)CC2)C1 1046011579 FEYJKHWJFWHXIK-HUUCEWRRSA-N 318.421 -0.493 30 20 DBED N#Cc1cc(C(=O)N2CCN([C@@H]3CCN(CCO)C3)CC2)c[nH]1 1046022814 VTLNDDPGKVBSOK-OAHLLOKOSA-N 317.393 -0.289 30 20 DBED C#Cc1cncc(C(=O)NCC2(O)CN(C(=O)CSC)C2)c1 1046332080 JNEJSLCMGQMJPJ-UHFFFAOYSA-N 319.386 -0.271 30 20 DBED CN1CCO[C@@H](C(=O)NC[C@@H]2CN(CC#N)CCC2(F)F)C1 1046926327 OXKINGWRGATDSA-VXGBXAGGSA-N 316.352 -0.086 30 20 DBED C=C(C)CCN1C[C@H](O)[C@@H](N(C)C(=O)CN2C(=O)CCC2=O)C1 1047623629 YCVXBXRPVVQEJA-STQMWFEESA-N 323.393 -0.395 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C#CC(C)C)C1 1048813821 MZQSOIDXYQBKMM-KKUMJFAQSA-N 320.389 -0.286 30 20 DBED COCC(=O)N1CCC[C@H](N(CCO)c2cncc(C#N)n2)C1 1049131949 HRCHJFHCFYANOW-ZDUSSCGKSA-N 319.365 -0.216 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]c(=O)cn2)C1 1049338033 MBUXSDWAWMJQPK-RYUDHWBXSA-N 320.349 -0.620 30 20 DBED Cc1ncncc1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)C#N)C1 1049389489 YCEZMJLGMXKNFZ-XDTLVQLUSA-N 317.349 -0.412 30 20 DBED CN(C)C(=O)CN1CCOC[C@@H]1CNC(=O)c1ccc(C#N)[nH]1 1050871642 GGNNOFMOFZYNDZ-LBPRGKRZSA-N 319.365 -0.595 30 20 DBED C=CCN1CC2(C[C@@H](NC(=O)[C@@H](C)N3C(=O)CCC3=O)CO2)C1 1053820867 NSBGBSUQNMTJNQ-VXGBXAGGSA-N 321.377 -0.331 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)c3cc(C(N)=O)cn3C)CO2)C1 1053858780 REUFDTLQQLUARZ-LBPRGKRZSA-N 316.361 -0.670 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)C3)CO2)C1 1053927617 GTOURVQQPKNOFL-RDBSUJKOSA-N 319.405 -0.129 30 20 DBED C=CCCC(=O)N1CCC[C@@](CO)(NC(=O)Cn2ncnn2)C1 1055958818 OHQIGQGKCDLDJB-CQSZACIVSA-N 322.369 -0.891 30 20 DBED C#CCN1CCC(C(=O)N[C@@]2(CO)CCCN(C(C)=O)C2)CC1 1055980269 IJEHDRJNKMTSNL-KRWDZBQOSA-N 321.421 -0.179 30 20 DBED Cc1cc(C#N)nc(N2C[C@H]3C(NC(=O)c4cnon4)[C@@H]3C2)n1 1056274884 CHFCRILKHBOFJO-NXEZZACHSA-N 311.305 -0.096 30 20 DBED N#Cc1nc(=N[C@@H]2CCN(C(=O)[C@H]3COCCO3)C2)cc[nH]1 1056557084 QTJZDOXBPFOEIK-GHMZBOCLSA-N 303.322 -0.802 30 20 DBED N#CCSCC(=O)N(CCO)CCNC(=O)Cc1ccc[nH]1 1057030153 LLEMDIILJYWUAS-UHFFFAOYSA-N 324.406 -0.249 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)C1CN(C(C)=O)C1 1057171061 MJVMDJNHCAAINZ-UHFFFAOYSA-N 311.382 -0.632 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)CCc1ncc[nH]1 1057517329 QLBMQBUMZCAURY-UHFFFAOYSA-N 320.393 -0.061 30 20 DBED Cc1nc(C)c(C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N)[nH]1 1058659163 UMQIUHTVJXVSAA-VIFPVBQESA-N 307.354 -0.263 30 20 DBED C#CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)c1nocc1C 1058822660 ZHWQERUWKXYJRK-LBPRGKRZSA-N 323.349 -0.428 30 20 DBED N#Cc1cncc(N[C@H]2C[C@@H](NC(=O)[C@H]3CC[C@@H]3C(N)=O)C2)n1 1059784181 HELBCGXGKXKYPP-QCMRWSPLSA-N 314.349 -0.081 30 20 DBED C=CCO[C@H](C)C(=O)N1CCOC[C@@H]1CNC(=O)c1cn[nH]c1 1061347153 YFOQUIIHNPGUBC-YPMHNXCESA-N 322.365 -0.042 30 20 DBED C=CCOCC(=O)NC[C@@H]1COCCN1C(=O)c1ccncn1 1061425489 CPSQHXGTXQJQPZ-GFCCVEGCSA-N 320.349 -0.364 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@H]1COCCN1C(=O)COC 1061538171 LBDJLPQHGOQWKX-RISCZKNCSA-N 300.355 -0.697 30 20 DBED N#Cc1nccc(N2CC[C@@H](CNC(=O)[C@H]3COC(=O)N3)C2)n1 1061593115 UZOGKARWQDFXGN-VHSXEESVSA-N 316.321 -0.601 30 20 DBED N#Cc1cccnc1N1CC[C@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 1061718072 PWMNEYUWKMRKKC-PWSUYJOCSA-N 314.349 -0.423 30 20 DBED Cc1c(C(=O)N2CCOC[C@@H]2CNC(=O)[C@@H](C)C#N)nnn1C 1061847536 TTZVPCOGWFJJNZ-ONGXEEELSA-N 320.353 -0.760 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)C[C@@H]2CCC(=O)N2)CCC1 1063606450 JIXNBGLVTBVWPK-MNOVXSKESA-N 306.366 -0.030 30 20 DBED N#Cc1nccnc1N1CCO[C@H](CNC(=O)[C@@H]2CCOC2)C1 1063618669 IEHFTJIQCVAIAV-VXGBXAGGSA-N 317.349 -0.294 30 20 DBED C[C@@H](Nc1ccc(C#N)nn1)[C@H]1CCCN(C(=O)C(N)=O)C1 1063904838 QQTXKTWWHCWIPT-ZJUUUORDSA-N 302.338 -0.127 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H]1CN(C(=O)CCC=C)CCO1 1064955595 JFXMNDWEUZRBNX-ZDUSSCGKSA-N 321.377 -0.564 30 20 DBED CCN(CC)CC(=O)N1CCO[C@@H](CNC(=O)[C@@H](C)C#N)C1 1065177068 CYATUHJEEPYYFX-STQMWFEESA-N 310.398 -0.169 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCO[C@H](CNC(=O)c2cnon2)C1 1065278035 FOXQSZFMKUTTAH-WDEREUQCSA-N 324.337 -0.382 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(C(=O)[C@H](C)C#N)CCO1 1065557315 PJRJSSVRABJFKP-CHWSQXEVSA-N 307.350 -0.470 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@@H](NC(=O)COC)CC1 1065749948 PDWCXBMWMRJUQD-GFCCVEGCSA-N 309.366 -0.730 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCCN(C)C(=O)[C@@H]1CCNC(=O)C1 1067174362 QHHUNNSHVRNRPK-NWDGAFQWSA-N 308.382 -0.021 30 20 DBED Cc1cc(=N[C@@H]2C[C@H](C)N(C(=O)CC(N)=O)C2)c(C#N)c[nH]1 1069049832 NPSJEVWXJLQYMD-CMPLNLGQSA-N 301.350 -0.040 30 20 DBED CCC1(NC(=O)Cn2ncnn2)CCN(C(=O)[C@@H](C)C#N)CC1 1069580671 HZBRORUJOARIFC-NSHDSACASA-N 319.369 -0.280 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H]2CCNC(=O)C2)C1 1069907358 URJBFYANRMBGIT-XQQFMLRXSA-N 318.381 -0.668 30 20 DBED CN1CCC(C(=O)N[C@@H]2CN(CC#N)C[C@@H]2n2ccnn2)CC1 1070015154 IFCUKYOZZMHEGU-KGLIPLIRSA-N 317.397 -0.515 30 20 DBED C=CCN[C@@H]1CN(C(=O)[C@H](C)n2cncn2)C[C@@H]1n1ccnn1 1070180002 WTCKBOUMCGKZOJ-XQQFMLRXSA-N 316.369 -0.342 30 20 DBED N#CCN[C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCNC2=O)CC1 1071076624 ALAVVMACLKLRMU-MCIONIFRSA-N 320.393 -0.368 30 20 DBED C#CCC1(C(=O)N[C@H]2CN(C(=O)CNC(N)=O)C[C@H]2C)CCC1 1071570319 OFCQFXNDMVMPPS-NEPJUHHUSA-N 320.393 -0.189 30 20 DBED C#CCN1C[C@H](NC(=O)CN2CCC(=O)NC2=O)CC[C@@H]1C 1071968198 RVXNMLFQWHZQBJ-NWDGAFQWSA-N 306.366 -0.469 30 20 DBED C#CCN1C[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)CC[C@@H]1C 1071987260 BROCOCSSQJHLSC-RYUDHWBXSA-N 306.366 -0.517 30 20 DBED C=CCn1cc(C(=O)N2C[C@@H](NC(=O)COC)[C@H](C)C2)nn1 1072124883 GSKIWOMJYGCKRS-GHMZBOCLSA-N 307.354 -0.313 30 20 DBED C[C@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@@H]1NC(=O)C#CC1CC1 1072616391 IYLLTXJDOLTLHZ-GWCFXTLKSA-N 314.345 -0.240 30 20 DBED C=CCN1CCC2(C1)CN(C(=O)CN1CCC(=O)NC1=O)C2 1073108942 OMZXCSWCCZOPEC-UHFFFAOYSA-N 306.366 -0.351 30 20 DBED Cn1ccc(-c2cc(C(=O)N[C@@H]3CN(CC#N)C[C@H]3O)no2)n1 1077057168 AWJPFGQLKSNZKE-VXGBXAGGSA-N 316.321 -0.626 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)C[C@@H]2COc3ccccc3O2)C1 1077067126 NEWNVAIAYWRNIU-JHJVBQTASA-N 317.345 -0.099 30 20 DBED C=CCN1CC[C@H](N2C[C@@H](O)[C@H](NC(=O)c3cnco3)C2)C1=O 1077472893 WBJFFIBNLBRAGR-GRYCIOLGSA-N 320.349 -0.764 30 20 DBED CCN(C(=O)CSCC#N)C1CN(C(=O)Cc2nc[nH]n2)C1 1079344480 AXZHREQDNHIYFZ-UHFFFAOYSA-N 322.394 -0.337 30 20 DBED C#CCNC(=O)CC(=O)N1CC(N(CC)C(=O)c2cocn2)C1 1079483731 QJLABYALNJCUHT-UHFFFAOYSA-N 318.333 -0.513 30 20 DBED C=C[C@@](C)(CCOC)C(=O)N1CC(N(CC)C(=O)C(N)=O)C1 1080408824 VEBYXTBULHDYHR-HNNXBMFYSA-N 311.382 -0.240 30 20 DBED CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)CN2C(=O)CCC2=O)C1 1080416808 QVZQVJWTCAARAW-JTQLQIEISA-N 320.349 -0.646 30 20 DBED C=C1CC(C)(C(=O)N2CCC(CO)(NC(=O)CC(N)=O)CC2)C1 1080787022 JXQOQKMZLNVLLS-UHFFFAOYSA-N 323.393 -0.312 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)c2cnn(C)c2)C[C@@H]1O 1081333080 OLMDGDWIRRTNCF-YPMHNXCESA-N 306.366 -0.065 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@H](CNC(=O)Cc2cc[nH]n2)C1 1081367489 BWVPIUYPYSKLGG-DGCLKSJQSA-N 322.365 -0.910 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cn(C)cn2)C1 1081407096 CSZJWPHIBSVQGN-OCCSQVGLSA-N 318.377 -0.371 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cnc(O)n2C)C1 1081639782 DDMIFSCBWWTCMR-CMPLNLGQSA-N 322.365 -0.359 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1cnc2cccnn12 1082211752 GELOWQIQBLJKRL-ZYHUDNBSSA-N 300.322 -0.318 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)Cc1ccn(C)n1 1083079673 LLIAGGIWQJJWCH-LSDHHAIUSA-N 302.378 -0.103 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 1083110084 KHLLUJCYNXTQIK-MHDGFBEUSA-N 301.350 -0.052 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)Cn2nc(C)c3cccnc32)C1 1083660384 VFBHLQAXZLZNEC-KGLIPLIRSA-N 313.361 -0.466 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)C2(n3cnnn3)CCCCC2)C1 1083696499 CPSVWMSYUUBYLZ-OLZOCXBDSA-N 318.381 -0.873 30 20 DBED N#Cc1cc(C(=O)NC[C@H]2C[C@H](N[C@@H]3CCNC3=O)C2)c[nH]1 1086345694 YZVDYEVYVHHTRR-IRUJWGPZSA-N 301.350 -0.127 30 20 DBED C=CCN[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1c1cnn(C)c1 1086994540 HPTFEMPWLJAEBZ-QWHCGFSZSA-N 317.393 -0.244 30 20 DBED N#CCN1C[C@@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C2(C(N)=O)CC2)C1 1089859651 RGITYFJZPQAGFZ-RVMXOQNASA-N 302.378 -0.056 30 20 DBED N#CCN1CC[C@H](NC(=O)c2cncc3nc[nH]c23)[C@@H](O)C1 1090276904 RAQKEWPQVDWJRN-JQWIXIFHSA-N 300.322 -0.354 30 20 DBED C#CCN1CC[C@@H](NC(=O)Cn2ncc3cccnc32)[C@H](O)C1 1090436404 QNPSKXCCVGQBFI-ZIAGYGMSSA-N 313.361 -0.384 30 20 DBED CC(C)N(C)CC(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@H]1O 1090440302 SKURBHWDRGFOTD-UKRRQHHQSA-N 317.393 -0.041 30 20 DBED CO[C@H](C)CCC(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1091096362 NWYKCYQCXLULQD-RTXFEEFZSA-N 319.365 -0.171 30 20 DBED C#CCCN1C[C@@H]2CN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C[C@]2(C)C1 1092055376 HDFLLNCUODGBLI-WQGACYEGSA-N 318.377 -0.612 30 20 DBED C#CCN1C[C@@H](C)[C@H](CNC(=O)[C@@H]2COCCN2C(C)=O)C1 1093210650 PEBJSDVJJLAQHM-YUELXQCFSA-N 307.394 -0.449 30 20 DBED CN(C)CCC(=O)NC1[C@@H]2CN(c3cnc(C#N)cn3)C[C@@H]12 1093340775 BMDGARRAXMNXQW-VXGBXAGGSA-N 300.366 -0.149 30 20 DBED Cc1cc(=NCCNC(=O)c2cc(=O)n(C)o2)c(C#N)c[nH]1 1093578433 CCNWCTGDBAFOCC-UHFFFAOYSA-N 301.306 -0.183 30 20 DBED N#Cc1cncc(NCCNC(=O)CCN2CCCC2=O)n1 1093660604 AJQWTAYCCQLORC-UHFFFAOYSA-N 302.338 -0.111 30 20 DBED C[C@H]1C[C@@H](C(=O)NCCCN=c2cc[nH]c(C#N)n2)CC(=O)N1 1094651995 OWAWSGUIILBUPN-WDEREUQCSA-N 316.365 -0.397 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)C[C@@H]3CCCOC3)CC2=O)C1 1094818195 YRTFDTXTXKNGMN-UONOGXRCSA-N 319.405 -0.162 30 20 DBED CN1C[C@H](C(=O)NCCCN(C)c2cnc(C#N)cn2)NC1=O 1095697063 VNUHGGXMIDIHGC-LLVKDONJSA-N 317.353 -0.686 30 20 DBED CN(CCCNC(=O)c1nnn(C)n1)c1cnc(C#N)cn1 1095698325 TVAAVJDLPOLFLE-UHFFFAOYSA-N 301.314 -0.872 30 20 DBED COCCN1C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC#N)CC1=O 1097171006 JQSRLTWKBXQJDJ-SYQHCUMBSA-N 320.393 -0.274 30 20 DBED C[C@@H](CNC(=O)[C@@]1(C)CNC(=O)C1)N=c1cc[nH]cc1C#N 1098153201 MLFGOYIQJGXWGI-ZUZCIYMTSA-N 301.350 -0.182 30 20 DBED C[C@H](CNC(=O)[C@H]1CN(C)C(=O)N1)N=c1cc[nH]cc1C#N 1098213626 LZIDNMDTZUTECK-BXKDBHETSA-N 302.338 -0.685 30 20 DBED CC(=O)NCC(=O)N1CC[C@@H](CN=c2cc[nH]c(C#N)n2)C1 1098496583 PXWTZXCNPZUSGG-NSHDSACASA-N 302.338 -0.833 30 20 DBED CCc1cc(C(=O)N[C@@H]2CCN(CC#CCOC)C[C@H]2O)n[nH]1 1099675832 RJRNRABELPRTCW-UKRRQHHQSA-N 320.393 -0.213 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CCc2ccnn2C)[C@H](O)C1 1099861646 WTYGWTBKGMGOLF-HUUCEWRRSA-N 304.394 -0.073 30 20 DBED COCC#CCN1CC[C@H](NC(=O)Cn2cncc2C)[C@H](O)C1 1099918353 KNWKPKLDLXOWFH-LSDHHAIUSA-N 320.393 -0.607 30 20 DBED CC#CCN1CC[C@H](NC(=O)CCc2cnn(C)n2)[C@@H](O)C1 1100009229 VCEBLBYOAIWEFG-KBPBESRZSA-N 305.382 -0.678 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)CCc2cn[nH]c2)[C@@H](O)C1 1100032660 ZJARAECDSSQDEV-CABCVRRESA-N 320.393 -0.457 30 20 DBED COCCCn1cc(C(=O)N[C@H]2CCN(CC#N)C[C@@H]2O)cn1 1100068807 BBTURPYUIFTHRF-KBPBESRZSA-N 321.381 -0.392 30 20 DBED C#CCN1CC[C@@H](NC(=O)CCCCCNC(C)=O)[C@H](O)C1 1100101049 GBGJTNVBAUKNOA-HUUCEWRRSA-N 309.410 -0.133 30 20 DBED C=C(Cl)CN1CC[C@@H](NC(=O)CCNC(N)=O)[C@H](O)C1 1100103602 OSUCWHAAAWSVJQ-NXEZZACHSA-N 304.778 -0.651 30 20 DBED CNS(=O)(=O)CC(=O)NCCN(C)c1ccncc1C#N 1100140459 PTCYOEGILNWIFY-UHFFFAOYSA-N 311.367 -0.945 30 20 DBED CN(CCNC(=O)C[C@H]1CCNC1=O)c1ccnc(C#N)n1 1100193341 CIFZDHLRNUQGLZ-SNVBAGLBSA-N 302.338 -0.573 30 20 DBED CCN1C[C@H](C(=O)NCC2CC(NCC#CCOC)C2)CC1=O 1100378073 QXKFREOGBJTXQL-SHARSMKWSA-N 321.421 -0.011 30 20 DBED N#Cc1nccc(N2CCC[C@H]2CNC(=O)CNC(N)=O)n1 1100779563 NTEUGVGCAKYBJN-VIFPVBQESA-N 303.326 -0.898 30 20 DBED CCCN(CCNC(=O)CNC(=O)NC)c1cncc(C#N)n1 1101254873 NQOCXGZYFMWWOZ-UHFFFAOYSA-N 319.369 -0.390 30 20 DBED CN(CCNc1nccnc1C#N)C(=O)[C@H]1CCS(=O)(=O)C1 1101849143 XDOPEMRXCKYCPE-JTQLQIEISA-N 323.378 -0.347 30 20 DBED C[C@H](CC(N)=O)C(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1C#N 1102569820 FTONNRLKTXALLM-VWYCJHECSA-N 314.349 -0.351 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1CCNC(=O)[C@@H]1CCCO1 1102651227 WNQGYZDDCHROBW-MCIONIFRSA-N 322.409 -0.121 30 20 DBED Cc1cc(=NC[C@@H](C)CNC(=O)Cn2ncnn2)c(C#N)c[nH]1 1104095529 XUGKGZYUMSTHBO-SNVBAGLBSA-N 314.353 -0.466 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)[C@@H]1CN(C)CCO1 1104538853 QUFYNTUPOMWWSL-NEPJUHHUSA-N 318.381 -0.640 30 20 DBED C#CCNCc1cn(C2CN(C(=O)c3c[nH]c(C#N)c3)C2)nn1 1105217696 FYWBLWWXPOVNLD-UHFFFAOYSA-N 309.333 -0.102 30 20 DBED Cc1ccc(C#N)c(N(C)CCN(C)C(=O)Cn2cnnn2)n1 1105344405 BMCMAKGIPUIXSF-UHFFFAOYSA-N 314.353 -0.157 30 20 DBED CN(CCN(C)c1ccc([N+](=O)[O-])cc1C#N)C(=O)C(N)=O 1105543326 WNGCURINDNOLPW-UHFFFAOYSA-N 305.294 -0.154 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)CN2CCCC2=O)nc1 1105715901 CUYDWEHGOGSANV-GFCCVEGCSA-N 317.349 -0.535 30 20 DBED CCNC(=O)CC(=O)NC[C@H](O)CNc1ccc(C#N)cn1 1105794908 PGSIACSLWMEGMV-LLVKDONJSA-N 305.338 -0.632 30 20 DBED Cn1ncc(C(=O)NC[C@H](O)CNc2ncccc2C#N)n1 1105897688 FXKQBSUHDHCPLZ-SNVBAGLBSA-N 301.310 -0.715 30 20 DBED C[C@H](CCN=c1cc[nH]cc1C#N)NC(=O)[C@H]1CCNC1=O 1106516491 UYWGBANYYFLAOR-PWSUYJOCSA-N 301.350 -0.182 30 20 DBED C=CCCCN1CC(n2cc(CNC(=O)CNC(N)=O)nn2)C1 1107122445 DFVCBERSWDEKFN-UHFFFAOYSA-N 321.385 -0.615 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](C)NC(=O)[C@@H]2CN(C)CCO2)n1 1107667207 RHNPASJGUHUUSS-YPMHNXCESA-N 318.381 -0.096 30 20 DBED C[C@H](CNc1cnc(C#N)cn1)NC(=O)C[C@@H]1CC(=O)NC1=O 1107825976 MYDVCGBESXITML-RKDXNWHRSA-N 316.321 -0.682 30 20 DBED CC[C@@H]1C[C@H]1C(=O)NC[C@@]1(C)CN(CC(=O)NCC#N)CCO1 1108228343 UMZGTQOYTHPSOP-IOASZLSFSA-N 322.409 -0.121 30 20 DBED C[C@]1(CNC(=O)COC[C@H]2CCCO2)CN(CC#N)CCO1 1108441798 SLDCRBAXYUSBKV-HIFRSBDPSA-N 311.382 -0.087 30 20 DBED CC#CCN1CC(N2C[C@@H](NC(=O)COCCC)CC2=O)C1 1108517618 KONJMHPPVBGDJB-ZDUSSCGKSA-N 307.394 -0.162 30 20 DBED N#CCN1CC(N2C[C@@H](NC(=O)CC3(O)CCC3)CC2=O)C1 1108545524 XSTSGCCAMTYPJD-NSHDSACASA-N 306.366 -0.784 30 20 DBED C#CCN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CNS(=O)(=O)CC)C2 1108699784 MCPWLZDYTLLXRK-AVGNSLFASA-N 313.423 -0.472 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H]1C[C@H]1C(N)=O 1109721585 NNKDUGDAIKDXDP-DGTMBMJNSA-N 305.378 -0.521 30 20 DBED CS(=O)(=O)CC(=O)N[C@H](CNc1ccc(C#N)nn1)C1CC1 1109768514 JBNIWQWSNODNKR-LLVKDONJSA-N 323.378 -0.300 30 20 DBED Cn1cc(C(=O)NCC2(N=c3cc[nH]cc3C#N)CC2)ncc1=O 1110413347 LITLXEHZLYVHPK-UHFFFAOYSA-N 324.344 -0.157 30 20 DBED C=C(C)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CNS(=O)(=O)NC 1110860884 DQAPLTMPOHTZOZ-UTUOFQBUSA-N 316.427 -0.662 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1111177120 YLENDAWFHIRVTE-USWWRNFRSA-N 300.322 -0.484 30 20 DBED C[C@H]1CN(C(=O)CNC(N)=O)C[C@@H]1CNc1cnc(C#N)cn1 1111241249 RAMGORKWWRHBEK-UWVGGRQHSA-N 317.353 -0.477 30 20 DBED N#Cc1cnc(NCCN(CCO)C(=O)[C@@H]2CCCO2)cn1 1111412755 CNLMZXIIDDLLLP-LBPRGKRZSA-N 305.338 -0.240 30 20 DBED Cc1cc(N2CCOC[C@H]2CNC(=O)[C@H](C)C#N)nc(CO)n1 1111663135 OSDBMZLVUQDROY-ZYHUDNBSSA-N 319.365 -0.242 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CCN(c2cncc(C#N)n2)[C@@H](C)C1 1112467288 LZTFJKUPIHGBMY-CMPLNLGQSA-N 316.365 -0.042 30 20 DBED CC(C)OCC(=O)NC[C@H]1CN(c2nccnc2C#N)C[C@@H]1O 1112709275 HPGDIPLURRTNTG-AAEUAGOBSA-N 319.365 -0.313 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)[C@@H](F)C(F)(F)F)CC1 1112868494 PXGZILIMFPWYHL-SECBINFHSA-N 310.251 -0.329 30 20 DBED C[C@H](Nc1nccnc1C#N)[C@@H](C)NC(=O)CCn1cnnn1 1113125208 VBMUMBIEWJJNLP-ZJUUUORDSA-N 315.341 -0.270 30 20 DBED C[C@H](Nc1cncc(C#N)n1)[C@@H](C)NC(=O)Cn1nccn1 1113173070 JAKWPJFTVKNMNK-VHSXEESVSA-N 300.326 -0.055 30 20 DBED C[C@H](CNC(=O)CS(C)(=O)=O)N(C)c1ccc(C#N)cn1 1113521472 WGUULCPAQNMDEP-SNVBAGLBSA-N 310.379 -0.061 30 20 DBED CC#CCN1CCN(C(=O)CS(=O)(=O)NC(C)(C)C)CC1 1113645586 NLJPWKHIOXBMEC-UHFFFAOYSA-N 315.439 -0.128 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@@H]2CN(Cc3nnc(C)o3)C[C@@H]12 1114157967 NVLUUMUCENXGIA-GHMZBOCLSA-N 317.349 -0.936 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)c3ncn(C)n3)[C@H]2C1 1114223472 GTIVNTYKQCTJTO-NNYUYHANSA-N 318.381 -0.834 30 20 DBED N#CCN1C[C@@H]2C(NC(=O)CCCn3c(O)nnc3O)[C@H]2C1 1114496927 VZUMRLZSIVBQNV-IUCAKERBSA-N 306.326 -0.961 30 20 DBED N#Cc1cccnc1N1C[C@H]2[C@H](CNC(=O)Cn3cnnn3)[C@H]2C1 1114508712 PMPYPAADPWGXMD-XYYAHUGASA-N 324.348 -0.562 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)C[C@@H]3CCC(=O)N3)[C@@H]2C1 1114966126 WZVQKOSNAFHDSB-QJPTWQEYSA-N 320.393 -0.996 30 20 DBED COC[C@H](C)CC(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1115053214 MVGLAJPJIWUHSJ-FJJYHAOUSA-N 308.382 -0.655 30 20 DBED C=CCO[C@H](C)C(=O)NC1[C@H]2CN(Cc3nnn(C)n3)C[C@H]12 1115333308 WDVILKPKCBRCOZ-VWYCJHECSA-N 306.370 -0.652 30 20 DBED N#Cc1c(F)cccc1N[C@@H](CO)CNC(=O)Cn1cnnn1 1121023242 CGWVYEJOWMOLDH-SECBINFHSA-N 319.300 -0.727 30 20 DBED N#Cc1nc(=N[C@@H](CO)CNC(=O)c2ccc(F)nc2)cc[nH]1 1121204699 ITEZCJOTPAIKII-SNVBAGLBSA-N 316.296 -0.493 30 20 DBED C[C@H](C(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1)n1cccc1 1121453808 DZWYLCPFMIENAC-VXGBXAGGSA-N 314.349 -0.278 30 20 DBED CC(C)C#CC(=O)NC[C@H](CO)Nc1ncnc2c1cnn2C 1121520503 OKBOSZXLZDSXNY-LLVKDONJSA-N 316.365 -0.088 30 20 DBED C=CCn1c([C@H](O)COC)nnc1N1CC(=O)N(C)C[C@@H]1C 1121732924 SOENDEKYZPXOMI-WDEREUQCSA-N 309.370 -0.189 30 20 DBED CN(C)[C@H](C(=O)NC[C@H](CO)Nc1cncc(C#N)n1)C1CC1 1122152199 CMZHTVYLTNLKBE-OCCSQVGLSA-N 318.381 -0.423 30 20 DBED N#Cc1nc(=N[C@H](CO)CNC(=O)c2ccsn2)cc[nH]1 1122163565 FAKKJRWUEWGSHT-QMMMGPOBSA-N 304.335 -0.571 30 20 DBED CC(=O)N[C@@H](C)C(=O)N(C)C[C@@H](O)CNc1nccnc1C#N 1124059239 DQRCHDAHOZZZPQ-ONGXEEELSA-N 320.353 -0.896 30 20 DBED CN(C[C@@H](O)CNc1cnc(C#N)cn1)C(=O)c1cn[nH]c1 1124180662 YLNIIDWKAYIZFV-NSHDSACASA-N 301.310 -0.384 30 20 DBED CN1CC[C@@H](C(=O)N(C)C[C@H](O)CNc2nccnc2C#N)C1 1124353314 VIVIJABPGNABKH-VXGBXAGGSA-N 318.381 -0.469 30 20 DBED COc1ccnc(N(C)C[C@H](O)CN(C)C(=O)[C@H](C)C#N)n1 1124988229 HHEOKJOACOSZNM-GHMZBOCLSA-N 307.354 -0.100 30 20 DBED CC(C)(C)[C@@H](CNc1nccnc1C#N)NC(=O)CNC(N)=O 1125763417 OHDRIXNITBBBEW-SNVBAGLBSA-N 319.369 -0.041 30 20 DBED C#CCNC(=O)CC(=O)NCCNCc1nc(C(F)F)no1 1125978765 XMEVDFZUNMAIAZ-UHFFFAOYSA-N 315.280 -0.648 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1cn(C)nc1C1CC1 1128351965 VIUTUXUMNBZMHC-LLVKDONJSA-N 317.393 -0.245 30 20 DBED CCS(=O)(=O)NCC(=O)NCCNCc1ccc(C#N)cc1 1128594276 AUPPNXIDLMLYSU-UHFFFAOYSA-N 324.406 -0.297 30 20 DBED C#CCCN[C@@H]1CN(C(=O)COCCOC)C[C@@H]1n1ccnn1 1129696115 OALVHVOCABWWQL-KGLIPLIRSA-N 321.381 -0.694 30 20 DBED CC#CCN[C@@H]1CN(C(=O)C2=CCOCC2)C[C@@H]1n1ccnn1 1129762844 QNWRGUGQTXOUMR-CABCVRRESA-N 315.377 -0.010 30 20 DBED C=CCNC(=O)[C@H](C)N1CCNC(=O)CCN(C(=O)CC)CC1 1131318835 STSXFIZFJDIEDQ-ZDUSSCGKSA-N 324.425 -0.262 30 20 DBED CCOc1cc(C(=O)NCCNCC(=O)NCC#N)ccn1 1133604534 AYFGAYCFDASEJV-UHFFFAOYSA-N 305.338 -0.561 30 20 DBED C[C@@H](C[C@H](C)NC(=O)c1ccc(O)nn1)NCC(=O)NCC#N 1133610602 HNECYIADUHKIPL-UWVGGRQHSA-N 320.353 -0.692 30 20 DBED C[C@@H](C[C@@H](C)NCC(=O)NCC#N)NC(=O)c1cn(C)cn1 1134098626 DMGIYSDUKGJTJG-MNOVXSKESA-N 306.370 -0.454 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)Cn1cncc1C 1135028891 JWPHJBOBHUEAJL-OLZOCXBDSA-N 319.409 -0.186 30 20 DBED C#CCCN[C@@H](C)C[C@H](C)NC(=O)CN1CCC(=O)NC1=O 1135893440 LXYCTHYZRCCEBM-RYUDHWBXSA-N 308.382 -0.176 30 20 DBED COCC#CCN1CCC2(C1)CN(C(=O)[C@@H]1COCCN1C)C2 1147355135 QGJHZUDXOOMMJU-HNNXBMFYSA-N 321.421 -0.499 30 20 DBED C=CCNC(=O)CN1CCC2(C1)CN(C(=O)c1[nH]nnc1C)C2 1148016952 CWFFWTXXUVKYDY-UHFFFAOYSA-N 318.381 -0.437 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)[C@H](NC(C)=O)C(C)C 1148470618 LCGSOUBOOAAXDC-WCQYABFASA-N 312.414 -0.456 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(Cc2nc(O)n[nH]2)CCCO1 1149674026 RROLVXJVXPDKEL-GFCCVEGCSA-N 321.381 -0.123 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)Cc2cn(CC)nn2)C1 1150013078 VGEJCWJTKZKQKR-AWEZNQCLSA-N 305.382 -0.319 30 20 DBED C#CCN1CCC(CCOC)(NC(=O)[C@@H]2CCC(=O)N2)CC1 1151402354 FHEXPRJFVMBMKH-ZDUSSCGKSA-N 307.394 -0.115 30 20 DBED CCN(CC)C[C@@H](F)C(=O)NCCCNCC(=O)NCC#N 1159155863 VLDHKIUDHXXWIK-GFCCVEGCSA-N 315.393 -0.598 30 20 DBED C#CCNC(=O)CN1CC=C(CCNC(=O)CC(=O)NC)CC1 1159911798 RGEFQUDGYYXHTQ-UHFFFAOYSA-N 320.393 -0.990 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)[C@H]1OCCO[C@H]1C 1160249772 SPXPJCLCCDEXEP-AVGNSLFASA-N 313.398 -0.423 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@H]1CCc2cncn2C1 1161314480 AMNYIVJLPASGHN-ZDUSSCGKSA-N 317.393 -0.709 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)c1ccnc(OC)c1 1161659423 JRDSQFBZYDPRGD-LBPRGKRZSA-N 318.377 -0.062 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)Cc1cc(C)nn1C 1162468819 JDTPZKCBEIQSEO-ZDUSSCGKSA-N 319.409 -0.495 30 20 DBED C#CCNC(=O)CNCC1(CCNC(=O)c2cnc(C)[nH]2)CC1 1163810105 QZUJZMBNDMBGKF-UHFFFAOYSA-N 317.393 -0.043 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1coc(COC)n1 1169631728 FDAYVRDQLDVVIJ-UHFFFAOYSA-N 308.338 -0.720 30 20 DBED Cc1noc(C)c1CCC(=O)NCCCNCC(=O)NCC#N 1175745287 RWWYIMGUWQZNBG-UHFFFAOYSA-N 321.381 -0.040 30 20 DBED C#CCN[C@H]1CCN(C(=O)CCS(=O)(=O)N(C)C)[C@H]1C 1180193944 FAEDMLLMNLHJOT-RYUDHWBXSA-N 301.412 -0.520 30 20 DBED CCN(CCC#N)C(=O)CN[C@@H]1CCN(C(=O)c2cc[nH]n2)C1 1181081354 JIMCQUGKOYBDGK-GFCCVEGCSA-N 318.381 -0.024 30 20 DBED C=CCNC[C@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C[C@H]1C 1184424772 PQMGGABQLUWSLO-VXGBXAGGSA-N 320.397 -0.363 30 20 DBED C[C@@H](C(=O)N1CC[C@@H](NCC(=O)NCC#N)C1)c1cncnc1 1185127701 IZLLONILATWFRM-DGCLKSJQSA-N 316.365 -0.590 30 20 DBED C#CCNCc1cn([C@@H]2CCCN(C(=O)CC(=O)NC)C2)nn1 1185925694 TWOQASOPYIZBQZ-CYBMUJFWSA-N 318.381 -0.700 30 20 DBED COCC#CCN1C[C@@H]2CCN(C(=O)[C@H]3CCC(=O)N3)[C@@H]2C1 1187263291 VKVISNKXRWMNPQ-BFHYXJOUSA-N 305.378 -0.553 30 20 DBED C=CCNC(=O)CN1C[C@@H]2CCN(C(=O)[C@H](O)C(C)C)[C@@H]2C1 1187744040 SDVUJANTUWCASE-GZBFAFLISA-N 309.410 -0.162 30 20 DBED N#CCN1C[C@@H]2CCN(C(=O)CNC(=O)N3CCCC3)[C@@H]2C1 1187904491 UCMSLADTGUOSAA-QWHCGFSZSA-N 305.382 -0.152 30 20 DBED CN(CC(=O)NCC#N)[C@H]1CCN(C(=O)[C@H]2CCCOC2)C1 1189327002 KIQIUCZODCBYTH-STQMWFEESA-N 308.382 -0.415 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC[C@H](N(C)Cc2nnn(C)n2)C1 1189918434 QIMMLJQMGKSUQZ-FZMZJTMJSA-N 308.386 -0.430 30 20 DBED C#CCOCCC(=O)N1CC[C@H](N(C)CC(=O)NC(=O)NC)C1 1190128667 NUWCVIFRECBDOC-LBPRGKRZSA-N 324.381 -0.985 30 20 DBED CCC[C@H](OC)C(=O)N1CC[C@H](N(C)CC(=O)NCC#N)C1 1191695540 JWLSSLPFYLILHX-STQMWFEESA-N 310.398 -0.026 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(Cc2cnc(C)nc2)C[C@H]1O 1192531375 VIUYIBMIGGZGBC-IIAWOOMASA-N 320.393 -0.227 30 20 DBED CC(C)n1cc(CN2C[C@@H](O)[C@H](NC(=O)C#CC3CC3)C2)nn1 1192770973 WNEMZFBWYOCEKV-HUUCEWRRSA-N 317.393 -0.066 30 20 DBED C#CCC1(C(=O)N[C@@H]2CN(Cc3n[nH]c(C)n3)C[C@H]2O)CCC1 1193684395 AAIBWZGEUUMVBQ-CHWSQXEVSA-N 317.393 -0.032 30 20 DBED C#CCC1(C(=O)N[C@@H]2CN(CCOC)C[C@H]2O)CCOCC1 1193720300 VTJZNELMKGJOAY-ZIAGYGMSSA-N 310.394 -0.386 30 20 DBED C=CCCOCC(=O)N1CC[C@H](N(C)CC(=O)NCC#N)C1 1194381945 QMOFOKMJSFYTCS-ZDUSSCGKSA-N 308.382 -0.248 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)C(F)(F)F)C1 1195388869 KFCRUPBUTLDMSX-OPRDCNLKSA-N 323.315 -0.352 30 20 DBED CO[C@H](C)CCC(=O)N1CCCN(CC(=O)NCC#N)CC1 1195549403 HONWKSMMABGWBB-CYBMUJFWSA-N 310.398 -0.024 30 20 DBED CC(C)C#CC(=O)N1CCCN(CCN2C(=O)CNC2=O)CC1 1195781546 YEJKTQATCKOPNX-UHFFFAOYSA-N 320.393 -0.268 30 20 DBED C#CCO[C@H](C)C(=O)N1CCCN([C@H](C)C(=O)NC(N)=O)CC1 1195805956 IOAPRORRWWYELX-VXGBXAGGSA-N 324.381 -0.858 30 20 DBED C[C@@H]1COCC[C@H]1C(=O)N1CCCN(CC(=O)NCC#N)CC1 1197076330 FLXIGKHANHCIIP-ZIAGYGMSSA-N 322.409 -0.167 30 20 DBED C=CCCN1CCCN(C(=O)[C@@H](CCC(N)=O)NC(C)=O)CC1 1197460766 IWBIUQWPQGBHAS-CQSZACIVSA-N 324.425 -0.133 30 20 DBED N#CCN1CCCN(C(=O)CCCN2C(=O)CNC2=O)CC1 1198065079 DYQXFIABUJBYTB-UHFFFAOYSA-N 307.354 -0.624 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)CCc2cnn[nH]2)CCCO1 1201429695 HLPNGPOBJFQCEJ-CQSZACIVSA-N 305.382 -0.032 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)CCc2cn(C)nn2)CCCO1 1202236967 VULJADHRGTYMMK-OAHLLOKOSA-N 319.409 -0.022 30 20 DBED Cc1cc(C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@H]2C)ncn1 1206875766 XWNXXDGSKLQPBL-ZWNOBZJWSA-N 316.365 -0.525 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCN(C(=O)C2=COCCC2)C1 1207627698 BRHQQURXPHWWRR-CYBMUJFWSA-N 306.366 -0.099 30 20 DBED CO[C@@H](C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C)C1CCC1 1208219018 BKIXAYSJMKKQMF-UXIGCNINSA-N 322.409 -0.122 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)[C@@H](F)CC)[C@H](OC)C1 1213268784 SDDUEZOWRDAGSG-QJPTWQEYSA-N 301.362 -0.148 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)Cn2ccccc2=O)C[C@H]1C 1216726470 RLMRBZQKRBBMLS-HUUCEWRRSA-N 317.389 -0.065 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CN(CC(=O)N(C)CC2CC2)C[C@@H]1O 1219378692 CHGJWNZGXFRBGD-RTXFEEFZSA-N 308.382 -0.824 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)C(F)=C(C)C)C1 1219461778 MVARLSDUHPALKB-UTUOFQBUSA-N 311.357 -0.451 30 20 DBED C#CCC1(C(=O)N[C@@H]2CN(CCOC)C[C@@H]2O)CCOCC1 1219780587 VTJZNELMKGJOAY-KGLIPLIRSA-N 310.394 -0.386 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(Cc2cn(C)nc2C)C[C@@H]1O 1221139947 VJUPWXXRRQPLHT-CABCVRRESA-N 322.409 -0.017 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@@H]2CN(C(=O)CC(C)(C)O)[C@@H]2C1 1221514002 DGCMQBUHUGFOIR-BFHYXJOUSA-N 321.421 -0.182 30 20 DBED C=CCOCCN1CC[C@@H]2CCN(C(=O)CNC(N)=O)C[C@@H]21 1222251858 NUVFZEMDSCVXNL-OLZOCXBDSA-N 310.398 -0.220 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)c2cn(CC)cn2)CC1 1230052858 NPFXCCCHRRTCDP-UHFFFAOYSA-N 317.393 -0.153 30 20 DBED N#CCN1CCC(NC(=O)CCNC(=O)c2cnccn2)CC1 1230302477 LJFWJTYNPYIUOQ-UHFFFAOYSA-N 316.365 -0.299 30 20 DBED C#CCN1CCS(=O)(=O)[C@H](CCNC(=O)c2ccccn2)C1 1230410961 UKJYKNBIKDJPKE-CYBMUJFWSA-N 321.402 -0.066 30 20 DBED C=CCNC(=O)NC(=O)CN(C)CCCNC(=O)C(F)F 1231027669 LYNOTDHJGVHVNT-UHFFFAOYSA-N 306.313 -0.299 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)c1cnc(C)[nH]1 1231207840 CHUZQYGRRIKVBE-LBPRGKRZSA-N 303.366 -0.386 30 20 DBED C#CCCN1CC[C@@H]1CN(C)C(=O)[C@H](C)NS(=O)(=O)CC 1234444919 HXJOLMWDAHFSDV-QWHCGFSZSA-N 315.439 -0.130 30 20 DBED CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@H](N)CCCC#N)C1 1261455794 BURACEKTUFZXNH-GHMZBOCLSA-N 302.400 -0.452 30 20 DBED C#CCSCCNC(=O)C(=O)NCCC(=O)N[C@H](C)CC 1323457162 VXTPSYPHFGMBQP-LLVKDONJSA-N 313.423 -0.110 30 20 DBED CC#CC[C@@H](CO)NC(=O)C(=O)Nc1cc(C)nn1CCC#N 1326088124 QAPDDWIRPJZBJA-LBPRGKRZSA-N 317.349 -0.066 30 20 DBED C=CCOCCNC(=O)C(=O)N1CCCN(C(=O)OC)CC1 1327053258 SEHMUNKELLHLFB-UHFFFAOYSA-N 313.354 -0.394 30 20 DBED C=CC[C@H]1CCCN(C(=O)C(=O)NCCNS(C)(=O)=O)C1 1327917649 WYLUVCBZBLRZFY-NSHDSACASA-N 317.411 -0.534 30 20 DBED C=CCN(C(=O)[C@H](N)CCN(C)C)[C@H]1CCS(=O)(=O)C1 1329761400 YYCRXEUFNHNBBQ-NWDGAFQWSA-N 303.428 -0.533 30 20 DBED COCCOC1CN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)C1 1331723253 SBWGDFMSWWFVEX-CCEZHUSRSA-N 323.349 -0.223 30 20 DBED CN(CC1(N(C)C)CCC1)C(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1332374308 ZWCNKDGZDOFAFL-INIZCTEOSA-N 322.409 -0.194 30 20 DBED C=CCN(C)c1nnnn1CCCN1CCCS1(=O)=O 1335963859 WBHKGUSHSXTVKP-UHFFFAOYSA-N 300.388 -0.279 30 20 DBED C=CCCOCCNC(=O)C(=O)N[C@@H](C)c1nnnn1C1CC1 1336140278 SGVZZNBRXGZHKF-JTQLQIEISA-N 322.369 -0.106 30 20 DBED C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CO)n2C)CC1 1338058552 WJXMNPOSDQBMNR-NSHDSACASA-N 305.382 -0.123 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)NCCc2cccc(O)c2)CCO1 1341147898 GKVSIPVEQSHGTQ-ZDUSSCGKSA-N 303.318 -0.198 30 20 DBED C[C@H]1C(=O)NCCN1C(=O)C(=O)NCc1ccc(C#N)c(F)c1 1345397380 JUYVQGBHKHMJHJ-VIFPVBQESA-N 318.308 -0.340 30 20 DBED C[C@H]1CN2CCN1C[C@@H]2C(=O)NCCNc1ncccc1C#N 1345679321 CKXRJNLQUBREAW-GXTWGEPZSA-N 314.393 -0.130 30 20 DBED C#CCOCCNC(=O)C(=O)N1CC[S@](=O)[C@H](C)[C@@H]1C 1346543392 NCSZQEYVZWQFGL-JHTDMNASSA-N 300.380 -0.880 30 20 DBED C=CCNC(=O)Cn1nnnc1N1CC[C@H](C)[S@@](=O)CC1 1355581663 IXGWYGVITPLMJW-CWKPULSASA-N 312.399 -0.677 30 20 DBED C=CCn1c(N2CCNC(=O)C2)nnc1C1(CO)CCOCC1 1355905441 AXHPCVXDSHCYOZ-UHFFFAOYSA-N 321.381 -0.559 30 20 DBED C[C@H]1CCC[C@@]1(O)CNC(=O)Cn1cc(C#N)c(O)nc1=O 1362498321 VKRRQJQNKFQUDR-LKFCYVNXSA-N 306.322 -0.512 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H](C)CNC(=O)c1cc(C(N)=O)ccn1 1369890209 LFINDQMSWHAWLM-NXEZZACHSA-N 317.349 -0.083 30 20 DBED CCN(CCC#N)C(=O)CN[C@H]1CCN(C(=O)c2cn[nH]c2)C1 1398482696 NWQRGGRLTOQKPR-ZDUSSCGKSA-N 318.381 -0.024 30 20 DBED COc1cc(OC)nc(C(=O)N(C)CCNC(=O)[C@@H](C)C#N)n1 1408674041 NVVDAIHJHHCHKD-VIFPVBQESA-N 321.337 -0.158 30 20 DBED CNC(=O)NCCC(=O)N[C@@H](C)C1CN(C(=O)[C@@H](C)C#N)C1 1411933860 IDELSZQRYZGCET-UWVGGRQHSA-N 309.370 -0.572 30 20 DBED CC(=O)N[C@H](C)C(=O)NC1CN(C(=O)c2cc(C#N)c[nH]2)C1 1415970748 YASDARMHDBNWRF-MRVPVSSYSA-N 303.322 -0.648 30 20 DBED C[C@H]1C[C@H](CO)CN(C(=O)Cn2cc(C#N)c(O)nc2=O)C1 1434111243 RBBWWKIWKKDJAG-UWVGGRQHSA-N 306.322 -0.703 30 20 DBED CNC(=O)NCC(=O)N1CC[C@@](C)(CNC(=O)[C@@H](C)C#N)C1 1434239218 GBSBHJQNSSZDBD-HZMBPMFUSA-N 309.370 -0.570 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@@H]1CCN(C(=O)CCn2cncn2)C1 1453610661 CFQAOISGOVXKBH-VXGBXAGGSA-N 304.354 -0.113 30 20 DBED N#CCCN(CCC#N)C(=O)c1nc2ncc(CCO)cn2n1 1464372401 LALFOJCTSJXJCP-UHFFFAOYSA-N 313.321 -0.071 30 20 DBED CNC(=O)NCCC(=O)N1CC[C@@H](CNC(=O)[C@@H](C)C#N)C1 1495183634 CZPDSQRAXQCPRX-QWRGUYRKSA-N 309.370 -0.570 30 20 DBED C#CCNC(=O)CNC[C@H]1CCCN1C(=O)c1cc(C#N)c[nH]1 1499883371 JVWZOCOBNYEGTL-CYBMUJFWSA-N 313.361 -0.170 30 20 DBED C=CCCC[C@H](N)C(=O)NCCS(=O)(=O)N1CCOCC1 1574908023 AITSNOITPIPUNA-LBPRGKRZSA-N 319.427 -0.552 30 20 DBED CN1CCN(N=C2C(=O)Nc3cc(-c4nn[nH]n4)ccc32)CC1 1591194031 QZJFSTSFEHEGBF-UHFFFAOYSA-N 312.337 -0.230 30 20 DBED N#CCNC(=O)[C@@H]1CC(=O)N(c2ccc(-c3nn[nH]n3)cc2)C1 1592677803 JSEFJIKNIDXREE-SNVBAGLBSA-N 311.305 -0.141 30 20 DBED CN(CCN(C)c1nccnc1C#N)C(=O)[C@@H]1C[C@@H]1C(=O)O 1598487571 WHGSPGLBHSMMFB-ZJUUUORDSA-N 303.322 -0.036 30 20 DBED C#CCN(CC(=O)O)C(=O)NC[C@H](C)CN1CCN(C)CC1 1602684379 ZERFWEFKUKJQDO-ZDUSSCGKSA-N 310.398 -0.401 30 20 DBED C[C@]1(C#N)CN(C(=O)[C@@H]2CCCN(CC(=O)O)C2=O)CCO1 1603290828 WSPXYVNOUNSCAE-YGRLFVJLSA-N 309.322 -0.549 30 20 DBED CO[C@@H]1CN2[C@@](C)(C1)C(=NNCCC(=O)O)CS2(=O)=O 1604504568 COSUHZZTUOBPJC-KWQFWETISA-N 305.356 -0.771 30 20 DBED N#C[C@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)c(O)c2)CCO1 1606345828 QGABXVQWGFPMRM-VIFPVBQESA-N 300.278 -0.063 30 20 DBED N#Cc1ncc(N2CCC[C@@H]2C(=O)NCC(=O)O)nc1C#N 1608225208 JPYNDYCNDKJSSX-SNVBAGLBSA-N 300.278 -0.610 30 20 DBED C[C@@H]1c2nncn2CCN1c1c(C#N)c(=O)n(C)c(=O)n1C 1649769706 TZCLJQRHFPYDCP-MRVPVSSYSA-N 301.310 -0.872 30 20 DBED CC#CCN[C@H](CNC(=O)CN(C)S(C)(=O)=O)C1CC1 1752459601 LYTSHRDQZRYFLJ-GFCCVEGCSA-N 301.412 -0.615 30 20 DBED Cc1nonc1C(=O)NC[C@@H]1CCCCN1CC(=O)NCC#N 1752826045 JWXQAVRSKFTOOV-NSHDSACASA-N 320.353 -0.398 30 20 DBED C[C@@H]1C[C@H](C(=O)NCCN(CC(=O)NCC#N)C2CC2)CO1 1753155851 RYXOGMOLKMBYEK-NEPJUHHUSA-N 308.382 -0.368 30 20 DBED CCN(C(=O)c1cn[nH]c1)[C@@H]1CCN(CC(=O)NCC#N)C1 1753451960 PFOODINTCHDFOV-GFCCVEGCSA-N 304.354 -0.414 30 20 DBED CC[C@H](CNC(=O)c1nnc(O)nc1O)NCC#CCOC 1753476380 ALKGGPXYVRMJDN-SECBINFHSA-N 309.326 -0.969 30 20 DBED C#CCNC(=O)CN[C@@H](CNC(=O)c1cncnc1O)C(C)C 1753831909 CJZUADUAALGUQN-LBPRGKRZSA-N 319.365 -0.724 30 20 DBED C#CCNC(=O)[C@@H](C)NC/C=C\CNC(=O)c1coc(C)n1 1754114913 MGNDORDKOZCLKB-ISALQUGTSA-N 304.350 -0.003 30 20 DBED C=CCN1CC[C@@H](NC/C=C\CNC(=O)Cn2ccnc2)C1=O 1754213594 XDTGBFWROMUPER-VQTKUKTRSA-N 317.393 -0.068 30 20 DBED C#CCCN1CC[C@](O)(CNC(=O)[C@H](C)N2C(=O)CCC2=O)C1 1754755458 XCUMGIBILWNMAS-LRDDRELGSA-N 321.377 -0.900 30 20 DBED C#CCNC(=O)CNCC[C@@H]1CCN(C(=O)c2cn(C)cn2)C1 1754909924 DZVQOCSDBXFZHP-CYBMUJFWSA-N 317.393 -0.389 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)[C@H](C)NC(=O)c1ccco1 1754975314 WINXGQILLRMNPV-STQMWFEESA-N 319.361 -0.152 30 20 DBED C=CCCC(=O)N1CCO[C@H](CNCCN2CCNC2=O)C1 1754995023 FOHASISUZUBCGM-CYBMUJFWSA-N 310.398 -0.205 30 20 DBED C#CCNC(=O)CNC[C@H]1CN(C(=O)C(C)(C)C=C)CCO1 1755006545 BFOWOGPIGJPCJO-ZDUSSCGKSA-N 307.394 -0.235 30 20 DBED C=CCNC(=O)CN(C)C[C@@H]1CCCN1C(=O)CN(C)C(C)=O 1755189134 HTEJCQHZPULVHY-AWEZNQCLSA-N 324.425 -0.310 30 20 DBED C#CCNC(=O)CN(C)[C@@H](C)CNC(=O)[C@@]1(C)CCNC(=O)C1 1755305082 JGTMULXICYOYIP-LRDDRELGSA-N 322.409 -0.911 30 20 DBED COCC#CCN[C@@H](C)CN(C)C(=O)CC[C@@H]1NC(=O)NC1=O 1755615789 CKYIMUNNIOYBJZ-RYUDHWBXSA-N 324.381 -0.939 30 20 DBED C=CCN1CC[C@@H](NC[C@H](O)CN(C)C(=O)c2cnco2)C1=O 1755784094 GUGHKAVRIVHZTJ-NWDGAFQWSA-N 322.365 -0.516 30 20 DBED C#CCCNC[C@@H](O)CN(C)C(=O)[C@H]1CCN(C(=O)CC)C1 1755791495 LXLXRIWTTLJXDX-UONOGXRCSA-N 309.410 -0.323 30 20 DBED C=CCC(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)C(N)=O)C2)C1 1756169435 RFJPAFIFLPLRSP-MRXNPFEDSA-N 323.393 -0.096 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](NC(=O)[C@@H]2CCC(=O)N2)[C@H](C)C1 1757092040 LUNPRUKFINNTIU-FRRDWIJNSA-N 305.378 -0.113 30 20 DBED C=C[C@](C)(O)CC(=O)N1C[C@H](O)[C@H](NC(=O)c2ccccn2)C1 1757150359 MBKZBZLNXNIBJR-WWGRRREGSA-N 319.361 -0.290 30 20 DBED O=C(O)c1nn(C2CCOCC2)cc1C=NN1C(=O)CNC1=O 1776052411 IYGCQWLLENNHNX-UHFFFAOYSA-N 321.293 -0.182 30 20 DBED C=CCC(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1783921746 SAAKWQBABFGEGE-OAHLLOKOSA-N 306.318 -0.520 30 20 DBED C=C1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](C)O)C3)C1 1792442596 RDJVUDRQGIKUQT-DEQVHRJGSA-N 308.378 -0.077 30 20 DBED CC(C)(O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC#N)C2 1795364008 IELUZIMXFSWUGF-GNXNZQSNSA-N 309.366 -0.349 30 20 DBED CC(C)[C@H](O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C#CC(=O)O 1847633762 DBAFAEACTLAWRB-MJVIPROJSA-N 308.334 -0.707 30 20 DBED NC(=O)CCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C#CC1CC1 1847746519 FEXHYUFIYWVFSK-STQMWFEESA-N 303.362 -0.133 30 20 DBED C#CCOc1ccc(C(=O)NCCN2C(=O)CNC2=O)cc1 265908134 SKTSQEQDZHZSHP-UHFFFAOYSA-N 301.302 -0.020 30 20 DBED CC(C)c1nncn1CCNc1c(C#N)c(=O)n(C)c(=O)n1C 266886743 ZMEKQLKLEAERIE-UHFFFAOYSA-N 317.353 -0.217 30 20 DBED N#CCCNS(=O)(=O)c1ccc(C(=O)N2CC(O)C2)cc1 268442532 PLBPDPDGQFBUEL-UHFFFAOYSA-N 309.347 -0.305 30 20 DBED Cc1cc(S(=O)(=O)N2CCO[C@@H](C(N)=O)C2)ccc1C#N 277764068 DGCPBEVUUSEYOG-GFCCVEGCSA-N 309.347 -0.259 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)CS(=O)(=O)CCOC)C1=O 280995892 AUDSLBLEAHZAHA-NSHDSACASA-N 318.395 -0.707 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H](C)CCN(C)C)C1=O 286459930 JSRMEJYJALLWQV-STQMWFEESA-N 324.425 -0.312 30 20 DBED COC[C@@H](C)N/C(N)=N/Cc1ccccc1S(N)(=O)=O 286958536 BGUZLHSJPDYHMG-SECBINFHSA-N 300.384 -0.227 30 20 DBED C#CCNC(=O)c1ccc(N2CCN(C(=O)CO)CC2)nc1 301972332 UABVOIQJUBLVGD-UHFFFAOYSA-N 302.334 -0.915 30 20 DBED CN(C)S(=O)(=O)c1ccc(/C(O)=N/[C@H]2CNC(=O)C2)cn1 331031759 UGJCQLKWEVDLLQ-SECBINFHSA-N 312.351 -0.475 30 20 DBED CCOC(=O)C[C@@H](C)CNS(=O)(=O)N1CCO[C@H](C#N)C1 336887752 HEDNUFJAIXOJNL-GHMZBOCLSA-N 319.383 -0.366 30 20 DBED CC(=O)C[C@H]1COCCN1S(=O)(=O)N1CCO[C@H](C#N)C1 336946203 ODQWUVIOAWJDGE-NWDGAFQWSA-N 317.367 -0.865 30 20 DBED C=CCCOCCNC(=O)C(=O)N1C[C@@H](CO)O[C@H](C)C1 342006522 PTSZSCRGTICXES-NEPJUHHUSA-N 300.355 -0.697 30 20 DBED C[C@H](NC(=O)COc1ccccc1)C(=O)NCC(=O)NCC#N 343512232 YFHQMNNPICTNGA-NSHDSACASA-N 318.333 -0.674 30 20 DBED C=CCN(CCOC)C(=O)C(=O)NCc1cnc(N(C)C)n1C 346593103 NHEKQSBIUWNPLC-UHFFFAOYSA-N 323.397 -0.237 30 20 DBED CN(C(=O)C(=O)Nc1ccc(F)c(C#N)c1)[C@H]1COC[C@@H]1O 356919789 SAQZTJPRZVLBEI-RYUDHWBXSA-N 307.281 -0.146 30 20 DBED N#Cc1ccc(F)c(CNC(=O)c2cn(CC(N)=O)nn2)c1 361882731 LKGBMQBUAFUHOY-UHFFFAOYSA-N 302.269 -0.296 30 20 DBED C=CCN1CC[C@H](N2CCC[C@@H](S(=O)(=O)NC)C2)C1=O 366843925 HTSSLFJRTCTKCJ-NEPJUHHUSA-N 301.412 -0.213 30 20 DBED C=CCNC(=O)NC(=O)CN1C[C@H](N2CCOCC2)C[C@@H]1C 367575574 NBFFWDHXGGNQGK-QWHCGFSZSA-N 310.398 -0.207 30 20 DBED Cn1c(N2CC[C@@H]([C@H]3CCOC3)C2)c(C#N)c(=O)n(C)c1=O 371002723 CICITZJCVOAJHA-MNOVXSKESA-N 304.350 -0.182 30 20 DBED C[C@@H](CNC(=O)N1CCO[C@H](C#N)C1)CN1CCN(C)CC1 408253115 DZCLSLDFLKFZDL-UONOGXRCSA-N 309.414 -0.196 30 20 DBED COC(=O)CCN1CCN(S(=O)(=O)[C@H](C)C#N)[C@@H](C)C1 416457022 NHZFDDHOLZPOJO-WDEREUQCSA-N 303.384 -0.203 30 20 DBED N#CCC1(CNC(=O)N2CCS(=O)(=O)[C@H](C(=O)O)C2)CC1 424447363 HWADZBACHRTCBY-VIFPVBQESA-N 315.351 -0.427 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCCC2CC(O)C2)C1=O 432440134 HLQODEMLLQYRON-UHFFFAOYSA-N 309.322 -0.760 30 20 DBED CN(CCO)C(=O)C(=O)N1CCN(c2ccccc2C#N)CC1 459818004 SKWOWXDAMXRDBD-UHFFFAOYSA-N 316.361 -0.342 30 20 DBED C#CCN(C)CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 491105484 WFQCFFJLANAOSJ-UHFFFAOYSA-N 308.426 -0.390 30 20 DBED C#CCN(C)CCCNC(=O)N(C)[C@@H]1CCS(=O)(=O)C1 491164768 FOYRFYBSSZPDPJ-GFCCVEGCSA-N 301.412 -0.230 30 20 DBED C#CCNC(=O)CN1CCN([C@H]2CCCN(C(C)C)C2=O)CC1 491230767 OREWGDBLLYMVRZ-HNNXBMFYSA-N 320.437 -0.247 30 20 DBED CCOC(=O)NCCC(=O)NS(=O)(=O)CC1(C#N)CC1 495272011 WVCZXCLZXCRKDL-UHFFFAOYSA-N 303.340 -0.128 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CS[C@H](C)C2)C1=O 516956820 SQANHJPGRQAEQZ-BDAKNGLRSA-N 311.363 -0.027 30 20 DBED Cc1nn(C(C)C)c(C)c1S(=O)(=O)NCC(=O)NCC#N 556823737 JOOXJAHUSLAPGN-UHFFFAOYSA-N 313.383 -0.001 30 20 DBED C=CCN(C[C@@H](O)CN(C)CCOC)[C@@H]1CCS(=O)(=O)C1 572732068 QABVDSVBDXEWNT-KGLIPLIRSA-N 320.455 -0.399 30 20 DBED COCCN([C@H](C)C(=O)O)S(=O)(=O)N(C)[C@@H](C)CC#N 580718403 RCIDVIRGFQPGEX-VHSXEESVSA-N 307.372 -0.113 30 20 DBED CC(C)CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NCC#CCO 584241156 DNVBVSQUTRIZGH-ZDUSSCGKSA-N 306.366 -0.405 30 20 DBED N#CCN1CCC(NC(=O)C(=O)NCCn2cccc2)CC1 588752758 HHPSHJDMSLZKLG-UHFFFAOYSA-N 303.366 -0.292 30 20 DBED C=C[C@H](C(=O)OC)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 589261818 NSVIAACDLMLSSM-SNVBAGLBSA-N 314.367 -0.556 30 20 DBED C[C@@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)O 592468829 LPUAEPGBEHDHSN-MRVPVSSYSA-N 311.319 -0.574 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC[C@H](C)C(=O)O)C1=O 656001122 YQPFYOQRQBMPHG-VHSXEESVSA-N 311.338 -0.931 30 20 DBED C=CCOCCNS(=O)(=O)CC1CCS(=O)(=O)CC1 672400080 XHILTWNSMHENCE-UHFFFAOYSA-N 311.425 -0.067 30 20 DBED C=CCNC(=O)COC(=O)[C@@H](NC(=O)C(C)(C)C)[C@@H](C)O 745695480 JMBNQTXFXFOCRR-KOLCDFICSA-N 300.355 -0.257 30 20 DBED C#CCOc1ccc(NC(=O)C(=O)N2CCN(C)C(=O)C2)cc1 749737817 MPVGTALYXRBNNL-UHFFFAOYSA-N 315.329 -0.062 30 20 DBED N#CCCNC(=O)COC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 751679899 SAWWUBZYMVLWIS-SECBINFHSA-N 305.294 -0.664 30 20 DBED C=CCS(=O)(=O)NC(=O)CCn1nnc2ccccc2c1=O 763034810 XUUFUENQEUMCRU-UHFFFAOYSA-N 322.346 -0.186 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCn2cnnc2[C@@H]1C)[C@@H]1CCCO1 809304155 FWCRJVLWEOYGKE-SRVKXCTJSA-N 317.349 -0.522 30 20 DBED C#C[C@H](NC(=O)C(=O)NCCN1CCOC[C@@H]1C)[C@@H]1CCCO1 809310256 BMZKNLTUHVDBPF-IHRRRGAJSA-N 323.393 -0.880 30 20 DBED CN1CCN(C(=O)CN(C)S(=O)(=O)CC(C)(C)C#N)CC1 823722950 AWDCRAWPNTYIQW-UHFFFAOYSA-N 316.427 -0.428 30 20 DBED C[C@H]1CN(C(=O)Cn2cnc(C#N)c2-c2nn[nH]n2)C[C@H](C)O1 824968091 PCRBOTDGOQQMFM-IUCAKERBSA-N 316.325 -0.429 30 20 DBED CN(C)S(=O)(=O)NCC(=O)NCc1cc(C#N)ccc1F 828919193 YSMQVPVRWDDDQF-UHFFFAOYSA-N 314.342 -0.290 30 20 DBED CNC(=O)COc1cccc(CC(=O)N[C@@H]2CNC[C@H]2C#N)c1 834480484 QOCJMLIRPUFGJK-TZMCWYRMSA-N 316.361 -0.418 30 20 DBED C#Cc1ccc(C(=O)NCC(=O)NCCN2CCOCC2)cc1 895853464 GOKLHNJXYVNNSU-UHFFFAOYSA-N 315.373 -0.154 30 20 DBED CS(=O)(=O)CC(=O)OCC(=O)NC1(C#N)CCCCC1 920595387 QWNIHLROCJZLDC-UHFFFAOYSA-N 302.352 -0.083 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@H](N(C)C(=O)Cn2ncnn2)C1 939008990 SMLUCKOOMMRZTG-NSHDSACASA-N 306.370 -0.055 30 20 DBED N#Cc1c[nH]c(C(=O)N2CCCC[C@@H](NC(=O)C(N)=O)C2)c1 943497155 MYUORNCOPDUTAP-SNVBAGLBSA-N 303.322 -0.517 30 20 DBED COc1nc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2OC)co1 943710372 GUHQXSAHGAUOHK-FXPVBKGRSA-N 322.321 -0.202 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C[C@H]1C 948069212 DIKZNXVSMYIOKX-VXGBXAGGSA-N 318.381 -0.631 30 20 DBED C#CCCN1CCOC2(CCN(C(=O)[C@@H]3COC(=O)N3)CC2)C1 949348828 MGEXZALAKAAOAB-ZDUSSCGKSA-N 321.377 -0.189 30 20 DBED N#Cc1ccc(C(=O)NC[C@@H]2CCN2C(=O)[C@H]2CCC(=O)N2)[nH]1 949444884 POJIXWVYTGTDLQ-CMPLNLGQSA-N 315.333 -0.504 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]1CNC(=O)c1nc2ncccn2n1 951749400 VRNXJNKJQDORHN-ZJUUUORDSA-N 313.321 -0.385 30 20 DBED CC(=O)N1CC(C(=O)N[C@@]2(C)CCN(C(=O)C#CC3CC3)C2)C1 956862584 XFMZNBJTGXNOMI-KRWDZBQOSA-N 317.389 -0.015 30 20 DBED C[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 957778732 HPXWVWILIWGQEQ-LDYMZIIASA-N 313.321 -0.105 30 20 DBED Cn1ncc(C2CC2)c1C(=O)NC[C@@H]1CN(CC#N)C[C@H]1O 958122122 QETAYTLAASKZEH-DGCLKSJQSA-N 303.366 -0.156 30 20 DBED CC(=O)Nc1cccnc1C(=O)NC[C@H]1CN(CC#N)C[C@H]1O 958126279 LFFUMMLOTFSVDY-WCQYABFASA-N 317.349 -0.414 30 20 DBED C=CCN1C[C@H](O)[C@H](CNC(=O)c2cccc(C(N)=O)c2)C1 958190435 GWGIQVZXKOMQHV-KGLIPLIRSA-N 303.362 -0.006 30 20 DBED C=CCCN1C[C@H](CNC(=O)c2cccn(C)c2=O)[C@@H](O)C1 958595449 RJHDABKWLJVXEO-JSGCOSHPSA-N 305.378 -0.016 30 20 DBED C=C[C@@](C)(CC)C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)CC(N)=O 960150509 BJTLQAMJQNUJPW-OZVIIMIRSA-N 323.393 -0.098 30 20 DBED C=CCN1C[C@H]2C(NC(=O)[C@@H]3CC(=O)N(CCOC)C3)[C@@H]2C1 960167943 QKZDBDSASNWVHA-JHJVBQTASA-N 307.394 -0.286 30 20 DBED C#CCCN1C[C@H]2[C@H](NC(=O)[C@@H]3CCc4nnnn4CC3)[C@H]2C1 961851746 YOUOBGXLBIPALV-CXTNEJHOSA-N 314.393 -0.305 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)c2ccnc(O)c2)C1 962212376 LVCMTOBSOKCWMN-GDPRMGEGSA-N 304.306 -0.752 30 20 DBED CSCC(=O)N1C[C@H](O)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 962329051 PCDMZPBUYDAPCQ-MNOVXSKESA-N 308.363 -0.449 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2COCCN2C(=O)COC)nc1 964278237 QBSPARODLAPHHR-ZDUSSCGKSA-N 317.345 -0.334 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CNC(=O)N1 969776600 UVPOZHTUMCDGAH-UKKRHICBSA-N 305.338 -0.971 30 20 DBED C#CCN1CC([C@H](C)NC(=O)c2ccc(-n3cnnn3)cn2)C1 970209128 BPNMOHUJZRHSKO-NSHDSACASA-N 311.349 -0.259 30 20 DBED C=CCCn1cc(C(=O)N[C@@H](C)C2CN([C@@H](C)C(N)=O)C2)nn1 970553415 WFWXPRQBLIFJOP-QWRGUYRKSA-N 320.397 -0.222 30 20 DBED CC#CCN1CC([C@@H](C)NC(=O)[C@H]2CCN(C)S2(=O)=O)C1 970568700 FJBYNENXFFGENB-DGCLKSJQSA-N 313.423 -0.520 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H]2[C@H](NC(=O)[C@H]3COC(=O)N3)[C@H]2C1 976432563 NFVBHSCSWBYUIU-YTWAJWBKSA-N 307.350 -0.120 30 20 DBED N#Cc1cc(C(=O)NC[C@H]2C[C@H](NC(=O)c3nc[nH]n3)C2)c[nH]1 979664978 NXZAGMQCXCMQBA-CZMCAQCFSA-N 313.321 -0.057 30 20 DBED C#CCN[C@@H]1CCC[C@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)C1 981504260 ZNKCHRXMUFNOQT-NEPJUHHUSA-N 320.393 -0.033 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](NC(=O)CN2CCOCC2=O)[C@H]1C 988636589 QCHWIRHHHVAUSL-UTUOFQBUSA-N 322.365 -0.890 30 20 DBED C#CCCN1CCCN(C(=O)[C@@H]2COCCN2C(C)=O)CC1 989699784 VJKBHCXCUKHROD-HNNXBMFYSA-N 307.394 -0.209 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CC(N)=O)[C@@H]1C 990083810 GNSZNYATKASCFD-WYUUTHIRSA-N 309.366 -0.442 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2COC(=O)N2)C1 991129032 VDJCXSCKRGGPNC-VWYCJHECSA-N 309.322 -0.987 30 20 DBED C[C@H](C#N)C(=O)N1CC(CNC(=O)[C@@H]2CCc3nncn3C2)C1 1002469427 INXUCJAKZVREFZ-ZYHUDNBSSA-N 316.365 -0.425 30 20 DBED COCCN1C[C@@H](C(=O)N(C)C2CCN(CC#N)CC2)CC1=O 1005469637 JSZGPDJWRYDWDM-ZDUSSCGKSA-N 322.409 -0.072 30 20 DBED C=CCn1cc(C(=O)N2CCO[C@@]3(CCN(C(C)=O)C3)C2)nn1 1007553052 MMEVUJIELIEFBO-OAHLLOKOSA-N 319.365 -0.073 30 20 DBED C[C@@H]1C[C@@H](CNC(=O)c2c[nH]c(C#N)c2)CN1C(=O)C(N)=O 1010286178 VBOQDXLGGACRAE-BDAKNGLRSA-N 303.322 -0.662 30 20 DBED C=C1CC(C)(C(=O)N2C[C@H]3C(NC(=O)[C@@H]4CNC(=O)N4)[C@@H]3C2)C1 1013687395 ZFBNOCXTVAVPIB-MXWKQRLJSA-N 318.377 -0.403 30 20 DBED N#CCN1CC[C@@H](NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 1014423321 GISUBUZIHBNKHO-GHMZBOCLSA-N 302.338 -0.523 30 20 DBED C#CCN1CCC2(CC1)C[C@H]2NC(=O)[C@@H]1CC(=O)NC(=O)N1 1016861248 UTEAHQIZVJYINO-WDEREUQCSA-N 304.350 -0.812 30 20 DBED O=C(C#CC1CC1)N1CCC2(C1)CN(C(=O)Cn1ncnn1)C2 1019048728 YIXMZYMGJSXFCL-UHFFFAOYSA-N 314.349 -0.853 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCN(C(=O)[C@@]3(C)CCNC3=O)C2)C1 1019364755 LKDRJYOFIPKYCL-ABAIWWIYSA-N 318.377 -0.267 30 20 DBED CN1CC[C@H](N[C@H]2C[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)C1=O 1020080201 OGEDKMMKUSACON-GVXVVHGQSA-N 301.350 -0.033 30 20 DBED N#Cc1cc(C(=O)N[C@H]2C[C@@H](NCC(=O)N3CCC3)C2)c[nH]1 1021984634 ZXFROCLJMQVJEH-TXEJJXNPSA-N 301.350 -0.031 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CN(C(=O)C(N)=O)C[C@H]21 1022749941 FAECWKYCTMAEFH-QCNOEVLYSA-N 307.350 -0.878 30 20 DBED N#CCN1CCC[C@@H](CNC(=O)[C@@H]2CCc3nnnn3CC2)C1 1023605452 ZYUONLQCSCWASV-QWHCGFSZSA-N 317.397 -0.023 30 20 DBED Cn1cc(C(=O)N2C[C@@H]3[C@@H](CC[C@H]3NCC#N)C2)n(C)c1=O 1026429076 QZVRUPOUWSGVKN-QJPTWQEYSA-N 303.366 -0.312 30 20 DBED Cc1c[nH]c(CC(N)=O)c1C(=O)N1C[C@@H]2C[C@H]1CN2CC#N 1032639513 FRLJOZSIWMEOMD-QWRGUYRKSA-N 301.350 -0.227 30 20 DBED C=CCn1cc(C(=O)N2C[C@@H]3C[C@H]2CN3CC(=O)NC)nn1 1032670122 NBUCOVYCLLNCRB-QWRGUYRKSA-N 304.354 -0.891 30 20 DBED CC(=O)N1CCO[C@@H](C(=O)N[C@H]2CCCCN(CC#N)C2)C1 1034509558 YNAQEIHUNYESOQ-UONOGXRCSA-N 308.382 -0.272 30 20 DBED C=CCN1CC[C@H](NC[C@H]2CCCN2C(=O)CC(N)=O)C1=O 1034889108 KSXQEVSKZXVJBJ-NEPJUHHUSA-N 308.382 -0.771 30 20 DBED COCCn1ncc(C(=O)NC[C@@H]2CN(CC#N)CCO2)c1C 1035369523 DVLMZQAXKYVFBL-CYBMUJFWSA-N 321.381 -0.208 30 20 DBED CC#CCN1CCO[C@@H](CNC(=O)c2ccn(CCOC)n2)C1 1035442478 MBZYXPNMTCQSTD-AWEZNQCLSA-N 320.393 -0.017 30 20 DBED N#CCN1CCO[C@H](CNC(=O)[C@@H]2CCCCN2C(N)=O)C1 1035572259 VXUHQRWCAQNQHB-NEPJUHHUSA-N 309.370 -0.740 30 20 DBED N#Cc1ccc(C(=O)NC[C@H]2CCN2CC(=O)NC2CC2)[nH]1 1038169799 PHZDUMQZBSKRNK-GFCCVEGCSA-N 301.350 -0.031 30 20 DBED CC(=O)NC(C)(C)C(=O)NC[C@@]1(O)CCN(C(=O)[C@H](C)C#N)C1 1040310697 VOUZEDSPZAIMNN-BMIGLBTASA-N 324.381 -0.860 30 20 DBED Cn1cnc(C(=O)N[C@@H]2CN(c3ccnc(C#N)n3)C[C@H]2O)c1 1040988365 ZKFQGIVQQOQRLV-MWLCHTKSSA-N 313.321 -0.939 30 20 DBED Cc1c[nH]cc1C(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1O 1041050344 CDLBNTMYWZJXDV-CHWSQXEVSA-N 312.333 -0.036 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@H](C)OC)C1 1041769170 OBLZOTUYHYYQTA-TUAOUCFPSA-N 312.366 -0.698 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)[C@@]2(CC)CCNC2=O)C1 1041973020 OMHCAOVPDZWREK-INIZCTEOSA-N 323.393 -0.442 30 20 DBED CN1CCC[C@@H]1C(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1042098152 OHBKYOYSHLYFPG-CYBMUJFWSA-N 305.378 -0.817 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(O)CN(C(=O)CC(C)(C)O)C1 1042807617 XAELLOLLQIGXHR-CQSZACIVSA-N 314.382 -0.836 30 20 DBED C[C@@H]1CN(C(=O)[C@@H]2COC(=O)N2)C[C@H]1N=c1cc[nH]c(C#N)n1 1043154910 KFEBEAFEOLULKG-BBBLOLIVSA-N 316.321 -0.863 30 20 DBED COCC(C)(C)C(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1043872763 QOYGZWRWWAXGRP-UHFFFAOYSA-N 308.378 -0.238 30 20 DBED C#CCCCCC(=O)N1CC(O)(CNC(=O)c2[nH]nnc2C)C1 1044366829 OJRNUMXIAIXGRU-UHFFFAOYSA-N 319.365 -0.390 30 20 DBED Cc1n[nH]c(C)c1C(=O)NCC1(O)CN(C(=O)[C@H](C)C#N)C1 1044720569 QREYRMPVQKAMHZ-MRVPVSSYSA-N 305.338 -0.511 30 20 DBED C=CCCn1cc(C(=O)N2CC[C@H](NCC(N)=O)C[C@H]2C)nn1 1044771645 MHNXYOAGUQPQEF-NEPJUHHUSA-N 320.397 -0.078 30 20 DBED C[C@H]1C[C@@H](NCC#N)CCN1C(=O)CN1CCC(=O)NC1=O 1044811982 AINHMAMGJRUOFT-QWRGUYRKSA-N 307.354 -0.579 30 20 DBED N#CCN1CC[C@@H](N2CCN(C(=O)C[C@H]3CCNC3=O)CC2)C1 1046036014 YPBRCTDIWFKGLB-ZIAGYGMSSA-N 319.409 -0.745 30 20 DBED CN1C(=O)CC[C@H]1C(=O)N1CCN([C@H]2CCN(CC#N)C2)CC1 1046056800 XYCNIPLBDIDYRZ-KBPBESRZSA-N 319.409 -0.651 30 20 DBED N#Cc1cncc(N[C@H]2C[C@H](CNC(=O)[C@@H]3COC(=O)N3)C2)n1 1046808685 IOOOMYAMDOFXFX-QXEWZRGKSA-N 316.321 -0.237 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCn3ccnc3C2)C1 1047436003 RIQOHJIZFHKTHB-ILXRZTDVSA-N 316.405 -0.028 30 20 DBED CN(C(=O)c1cnc2n1CCCC2)[C@H]1CN(CC#N)C[C@@H]1O 1047500260 AXZSNCROJAWAFC-STQMWFEESA-N 303.366 -0.140 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCO2)C1 1048167203 VSOYZWJIMXWZKP-IHRRRGAJSA-N 308.378 -0.001 30 20 DBED CO[C@H](C)C(=O)N(C)[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1O 1048413525 CCRYDSFGXXYOTR-ICCXJUOJSA-N 320.349 -0.435 30 20 DBED C=CCCC(=O)N(C)[C@H]1CN(C(=O)[C@]2(C)CCC(=O)N2)C[C@@H]1O 1048527157 FUUQVKMFNMATIT-MKBNYLNASA-N 323.393 -0.349 30 20 DBED CC(C)C#CC(=O)N(C)[C@H]1CN(C(=O)c2cnon2)C[C@@H]1O 1048810619 BRPSROWAOPCKFP-RYUDHWBXSA-N 306.322 -0.627 30 20 DBED CN(C(=O)c1cnn[nH]1)[C@H]1CN(C(=O)C#CC(C)(C)C)C[C@@H]1O 1049061750 PJDHKQOHBMUYDD-RYUDHWBXSA-N 319.365 -0.502 30 20 DBED CC(C)[C@H](C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)C#N)C1)N(C)C 1049395751 XWGRLTRXLDIFFN-ZOBORPQBSA-N 324.425 -0.238 30 20 DBED N#CCN1CCOC[C@@H]1CNC(=O)[C@@H]1CCn2cncc2C1 1050980312 QTPJRZUCPWTHJN-OCCSQVGLSA-N 303.366 -0.214 30 20 DBED CC#CCN1CCOC[C@@H]1CNC(=O)c1cnn(CCOC)c1 1051228285 FSMGAJNLDCHDHQ-HNNXBMFYSA-N 320.393 -0.017 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)CNC(N)=O)C[C@H]1C 1051928905 QSYXBRPHUNFWNV-MNOVXSKESA-N 312.370 -0.932 30 20 DBED C#CCN1CCN([C@@H]2CCN(C(=O)CN3CCCC3)C2)CC1 1052118041 JMRBOMWNRMAJHM-MRXNPFEDSA-N 304.438 -0.066 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)Cc1cnn(C)c1)CCO2 1053188432 CQKLVYFZNPDHGA-UHFFFAOYSA-N 302.378 -0.101 30 20 DBED C=CCN1CC2(C1)CN(C(=O)c1cc(C(N)=O)c[nH]1)CCO2 1053486711 ZVOGLVPFRXWCOA-UHFFFAOYSA-N 304.350 -0.174 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCC2(CN(CC#N)C2)O1 1053610266 KVTCYFKYBLBENN-CABCVRRESA-N 316.405 -0.043 30 20 DBED CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H]1CCC2(CN(CC#N)C2)O1 1053660758 OPMUHXBDJMCMMI-RWMBFGLXSA-N 320.393 -0.416 30 20 DBED C#CCCN1CC2(CC[C@H](CNC(=O)[C@H]3C[C@H]3C(N)=O)O2)C1 1053661293 VGXBLBIZODMMDL-UPJWGTAASA-N 305.378 -0.519 30 20 DBED CN1C[C@H](C(=O)N[C@H]2COC3(C2)CN(CC#N)C3)CCC1=O 1054017741 KPCTUFBMHUSGBN-VXGBXAGGSA-N 306.366 -0.662 30 20 DBED C#CCN[C@H]1CN(C(=O)C2CC3(C2)CS(=O)(=O)C3)C[C@@H]1C 1054797407 GLINUSPGQZNMSL-AAEUAGOBSA-N 310.419 -0.119 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@](CO)(NC(=O)c2ncc[nH]2)C1 1055928484 AIHBRKJFEZZQRE-YGRLFVJLSA-N 305.338 -0.347 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@](CO)(NC(=O)CCCN(C)C)C1 1056081343 CPHUJAYLQFJMAV-XJKSGUPXSA-N 324.425 -0.042 30 20 DBED C[C@@H](C#N)C(=O)N[C@@]1(CO)CCCN(C(=O)CCN(C)C)C1 1056096631 JQGVFMBENBKPGL-WFASDCNBSA-N 310.398 -0.433 30 20 DBED Cc1c(C(=O)NC2[C@H]3CN(c4cnc(C#N)cn4)C[C@H]23)nnn1C 1056176525 QGCQVXMRKNNQDO-QWRGUYRKSA-N 324.348 -0.350 30 20 DBED C#CCO[C@H](C)C(=O)NCCN(CCO)C(=O)c1ccc[nH]1 1056951627 NNQIPKHCJYDNSB-GFCCVEGCSA-N 307.350 -0.396 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)CCCCOC 1057158428 RBVIYWSLKLXZJL-UHFFFAOYSA-N 316.398 -0.057 30 20 DBED C#CCOCCC(=O)N(CCO)CCNC(=O)CC(F)(F)F 1057580272 BFIQMQRLHVTWNZ-UHFFFAOYSA-N 324.299 -0.084 30 20 DBED C#CCO[C@H](C)C(=O)N(CCO)CCNC(=O)[C@H]1CC1(F)F 1057582882 BPCHEFYEQZECAE-GHMZBOCLSA-N 318.320 -0.383 30 20 DBED C#CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)COCC=C 1057583202 JSRYMRWZNLAMRV-ZDUSSCGKSA-N 312.366 -0.836 30 20 DBED C#CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)c1ccn(C)n1 1057639692 KSPIATPAZBJUTM-LBPRGKRZSA-N 322.365 -0.991 30 20 DBED CCc1cc(C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N)n(C)n1 1058654719 GHEHQVMMXOJLQE-NSHDSACASA-N 321.381 -0.307 30 20 DBED C=CCOCC(=O)N1CC[C@H](CCNC(=O)[C@H]2CNC(=O)N2)C1 1059337276 DUKZUWZOCAHHFF-NWDGAFQWSA-N 324.381 -0.775 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@H]1CCN(C(=O)C(N)=O)C1 1060275471 JYVQMIQKPZWSSQ-TUAOUCFPSA-N 309.366 -0.582 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](CCNC(=O)C2(C(N)=O)CC2)C1 1060285637 BMXMRUGKYQNTEG-QWRGUYRKSA-N 306.366 -0.234 30 20 DBED N#Cc1cnc(N2CCC[C@@H]2CNC(=O)[C@H]2COCCO2)cn1 1061298121 KFGVRXPHONKADD-CHWSQXEVSA-N 317.349 -0.151 30 20 DBED COCCC(=O)N1CCOC[C@H]1CNC(=O)c1ccc(C#N)[nH]1 1061508259 KVNKPUBYTDZAQO-GFCCVEGCSA-N 320.349 -0.120 30 20 DBED NC(=O)C1(C(=O)NC[C@@H]2COCCN2C(=O)C#CC2CC2)CC1 1061838464 KDTXKHSRXKVARU-GFCCVEGCSA-N 319.361 -0.991 30 20 DBED C#CCNC(=O)CC(=O)NC1(CNC(=O)c2ccc[nH]2)CCC1 1062517996 LEQQASAQYOAWES-UHFFFAOYSA-N 316.361 -0.077 30 20 DBED CN(C(=O)[C@@H]1CNC(=O)N1)[C@H]1CCN(c2ccc(C#N)nn2)C1 1063024972 MJSLAVOSBRQTOW-QWRGUYRKSA-N 315.337 -0.933 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)c2nnc(O)nc2O)CCC1 1063788858 VLAVQGWDJRTDDY-SSDOTTSWSA-N 320.309 -0.789 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H]1CN(C(=O)CC(C)C)CCO1 1064781591 PGPCKFMGICNMGW-ZDUSSCGKSA-N 323.393 -0.484 30 20 DBED CS(=O)(=O)CC(=O)N1CCC[C@H]1CN=c1cc[nH]c(C#N)n1 1064870665 GZEWUJVBGOSLGZ-JTQLQIEISA-N 323.378 -0.782 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)CS(C)(=O)=O)CCO1 1064930378 ZKSKSTMCNILYNS-NSHDSACASA-N 318.395 -0.659 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CN(C(=O)c2cncnc2O)CCO1 1065284493 MAZUTQICUDCKHQ-NXEZZACHSA-N 319.321 -0.701 30 20 DBED C#CCOCCC(=O)N1CCC[C@H](NC(=O)CNC(C)=O)CC1 1065776430 FFTRACQVAMYGBG-AWEZNQCLSA-N 323.393 -0.340 30 20 DBED N#Cc1cnc(N2CC[C@H]3[C@H]2CCCN3C(=O)C(N)=O)cn1 1066182477 DJZARAGJSHQWOP-MNOVXSKESA-N 300.322 -0.597 30 20 DBED N#Cc1cncc(N2C[C@@H]3CCCN(C(=O)C(N)=O)[C@@H]3C2)n1 1066245229 MYOAEYCXFLBGDN-GXSJLCMTSA-N 300.322 -0.739 30 20 DBED Cc1cc(=NCC[C@@H]2CCN(C(=O)C(N)=O)C2)c(C#N)c[nH]1 1066372820 XCHCRYSLACKWOH-LLVKDONJSA-N 301.350 -0.181 30 20 DBED C=CCOCC(=O)N1CCOC2(C1)CN(C(=O)[C@@H]1CCOC1)C2 1068355270 KNDFYYMGXATFNZ-CYBMUJFWSA-N 324.377 -0.335 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H]1C[C@H](NC(=O)[C@@H]2CCNC2=O)C1 1068561193 GFFKGYOJDUCLDS-RAIGVLPGSA-N 313.361 -0.182 30 20 DBED CCn1cnc(C(=O)N[C@@H]2CN(CC#N)C[C@@H]2n2ccnn2)c1 1070080701 UFCVNDNCVUUBBR-YPMHNXCESA-N 314.353 -0.327 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)[C@@H]2CCC(=O)NC2)CC1 1070976924 VQDRLWSFDYQTEP-CYBMUJFWSA-N 322.409 -0.651 30 20 DBED C[C@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@H]1NC(=O)C#CC1CC1 1072165482 OPQNBZFNLKQPSK-GXFFZTMASA-N 324.402 -0.593 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)c2cn3c(n2)COCC3)C1 1073660708 MFDZJHPVVLCWQP-CYBMUJFWSA-N 318.377 -0.133 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)c2ccn3nnnc3c2)C1 1073726975 SIVSZRZVEQTSBF-ZDUSSCGKSA-N 314.349 -0.422 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(C(=O)Cn2cnnn2)C[C@H]1C 1073818425 ZNSHYTFNFDLFDW-NEPJUHHUSA-N 322.369 -0.771 30 20 DBED N#CCN1CCCO[C@@H](CNC(=O)c2c[nH]c(C(N)=O)c2)C1 1073886209 JZFXGUXTHNPSPG-NSHDSACASA-N 305.338 -0.542 30 20 DBED Cn1cc(C(=O)N2CC[C@H]3OCCN(CC#N)[C@@H]3C2)nc1O 1074331827 NRHZRGUAXGLUAS-VXGBXAGGSA-N 305.338 -0.435 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CCN(C(=O)c2cn(C)cn2)CC1 1074547750 OOCIUJLOGLKZRZ-LLVKDONJSA-N 319.365 -0.337 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CCN(C(=O)[C@@H]2CCN(C)C2)CC1 1074593459 TWSWCLZJQPXOCB-QWHCGFSZSA-N 322.409 -0.433 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CCN(C(=O)CCCC(N)=O)CC1 1074631997 PKYDOLXKHCPUQC-NSHDSACASA-N 324.381 -0.729 30 20 DBED C[C@H](C#N)C(=O)N1CCC(O)(CNC(=O)c2cnn(C)n2)CC1 1074704770 HVQHHUUBLHTVGZ-SNVBAGLBSA-N 320.353 -0.942 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CCN(C(=O)c2ccnnc2)CC1 1074745891 CWRLAQPWNODEAM-LLVKDONJSA-N 317.349 -0.280 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H](C)CCNC(=O)c1cc[n+]([O-])cc1 1075509993 UEMBRMYDIYTNKL-QWHCGFSZSA-N 319.361 -0.017 30 20 DBED C#CCO[C@H](C)C(=O)NCC[C@H](C)NC(=O)c1cc(=O)n(C)o1 1076510907 XJAIKCUQEUQXBI-WDEREUQCSA-N 323.349 -0.359 30 20 DBED CC#CCCCC(=O)N[C@@H](C)CCNC(=O)[C@H]1CNC(=O)N1 1078094645 ZGMVJKOKMCFLJO-NWDGAFQWSA-N 308.382 -0.128 30 20 DBED C[C@@H](CCNC(=O)[C@@H](C)C#N)NC(=O)CCc1cn(C)nn1 1078136606 QWBCEVNUQLGLAM-QWRGUYRKSA-N 306.370 -0.082 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)c2cnc(O)n2C)C[C@H]1O 1081333284 QVPYFYVAMNMDRA-ZYHUDNBSSA-N 322.365 -0.359 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H]1CN(C(=O)CCC=C)C[C@H]1O 1081420171 UZUHQRIOASCOAH-CHWSQXEVSA-N 321.377 -0.972 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C[C@H]1O 1081474872 VHXDEYHTDKREQR-SSZWKKLZSA-N 318.373 -0.772 30 20 DBED C=CCn1cccc1C(=O)N[C@@H]1CN([C@@H](C)C(N)=O)C[C@H]1OC 1081798862 VHLZYSWAQWWAAP-OUCADQQQSA-N 320.393 -0.023 30 20 DBED C#CCCN1C[C@@H](NC(=O)[C@H]2CCCN(C(N)=O)C2)[C@H](OC)C1 1081915701 RWDHFHJUORFRFI-BFHYXJOUSA-N 322.409 -0.384 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2cccc3oc(O)nc23)C1 1083646456 DRVYVFDWYONLHV-MNOVXSKESA-N 301.302 -0.059 30 20 DBED CC#CCN1CC[C@@H]2CN(C(=O)C3CC(=O)NC(=O)C3)[C@@H]2C1 1084719901 RTGHGEWDPPLJEQ-DGCLKSJQSA-N 303.362 -0.405 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]2CCN(Cc3nnn(C)n3)[C@H]2C1 1084906088 BBYMWHGMUVAUDJ-TUAOUCFPSA-N 303.370 -0.207 30 20 DBED C#CCN[C@@H]1CCCC[C@H]1NC(=O)CN1C(=O)NC(C)(C)C1=O 1085413494 XNLHVFUDFOOQOP-VXGBXAGGSA-N 320.393 -0.033 30 20 DBED C#CCCN1CC[C@@H](OCC2CCN(C(=O)C(N)=O)CC2)C1 1088237144 MAYAKMZXKKXBMG-CQSZACIVSA-N 307.394 -0.176 30 20 DBED C#CCN1CC[C@H](NC(=O)Cc2cnn3c2CCCC3)[C@H](O)C1 1090335399 AVGOVHVYCPHGAW-GOEBONIOSA-N 316.405 -0.054 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CN(c2cc(C)ncc2C#N)C[C@H]1O 1090404368 MQVRCXMHSYKADQ-DGCLKSJQSA-N 317.349 -0.937 30 20 DBED CC#CCN1CC[C@H](NC(=O)Cc2cc(C)nn2C)[C@@H](O)C1 1090427695 NVPDKUVZDHBSSE-GJZGRUSLSA-N 304.394 -0.154 30 20 DBED C=C1CC(C)(C(=O)N[C@H]2CCN(Cc3nc(O)n[nH]3)C[C@H]2O)C1 1090553373 AEUYRHJCBWDWGX-WDEREUQCSA-N 321.381 -0.082 30 20 DBED CC(=O)NCC(=O)NC[C@@H]1CN(c2nccnc2C#N)C[C@H]1C 1092316580 KTDUBKSOIJSGME-ZYHUDNBSSA-N 316.365 -0.327 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)[C@H]3COCCO3)c3nccn32)C1 1092343879 LROLSKFSHRHFKU-VXGBXAGGSA-N 317.349 -0.606 30 20 DBED CC(C)[C@@H](O)C(=O)NC1[C@H]2CN(c3ccnc(C#N)n3)C[C@H]12 1093260288 IUSRBOANYIFCDP-PKFCDNJMSA-N 301.350 -0.084 30 20 DBED Cn1nnc2c(N3C[C@H]4C(NC(=O)C#CC5CC5)[C@@H]4C3)ncnc21 1093264250 UDXGAAGBLRRKBK-GHMZBOCLSA-N 323.360 -0.278 30 20 DBED C#CCN1CC(n2cc(CNC(=O)c3ccnc(C)n3)nn2)C1 1094339129 SEZXSJYABWDYBJ-UHFFFAOYSA-N 311.349 -0.204 30 20 DBED COCC(=O)N(C)CC(=O)NCCCNc1cncc(C#N)n1 1094849033 AXEZZVOLDMWZJK-UHFFFAOYSA-N 320.353 -0.629 30 20 DBED CC(=O)NCC(=O)N1CC[C@@H](N=c2cc(C)[nH]cc2C#N)C1 1095008223 MUSCYRWXEDJOOT-CYBMUJFWSA-N 301.350 -0.168 30 20 DBED C[C@H](CC(N)=O)C(=O)N[C@@H]1CCN(c2cnc(C#N)cn2)C1 1096457149 FKCNXOOAQMHKEM-NXEZZACHSA-N 302.338 -0.445 30 20 DBED N#Cc1nccnc1N[C@@H](CNC(=O)Cn1ncnn1)C1CC1 1096731581 QVWATNLWKZARBH-NSHDSACASA-N 313.325 -0.658 30 20 DBED CCNC(=O)CC(=O)N[C@H]1C[C@H](Nc2cnc(C#N)cn2)C1 1097023785 ZUPAZZLWDYOLID-MGCOHNPYSA-N 302.338 -0.066 30 20 DBED CCOCCOCC(=O)N[C@H]1C[C@H](N=c2cc[nH]c(C#N)n2)C1 1097036122 QPMHKTQQXJIXIU-HAQNSBGRSA-N 319.365 -0.118 30 20 DBED N#Cc1nccnc1NC[C@H]1CCCN(C(=O)CNC(N)=O)C1 1097353853 ALVYCBHPQOQWML-SNVBAGLBSA-N 317.353 -0.333 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CCCN1C(N)=O)Nc1ccc(C#N)nn1 1097920531 YJCQIQOEEHBGCS-ONGXEEELSA-N 317.353 -0.192 30 20 DBED CC1(C(=O)N2CCC(N(CCO)CC(=O)NCC#N)CC2)CC1 1098373429 BBVQQKHTFMJCOL-UHFFFAOYSA-N 322.409 -0.288 30 20 DBED C#CCN(CCO)C1CCN(C(=O)[C@]2(C)CCNC(=O)C2)CC1 1098404030 CEDYXVQTXIXQFG-QGZVFWFLSA-N 321.421 -0.179 30 20 DBED N#CCN(CCO)C1CCN(C(=O)C[C@H]2CCC(=O)N2)CC1 1098498458 QRABCUHIGIUGMC-GFCCVEGCSA-N 308.382 -0.536 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](C)OC2(CCN(CC(N)=O)CC2)C1 1098574024 FAUYVEGJSCMJGI-NWDGAFQWSA-N 308.382 -0.287 30 20 DBED CN1CC[C@@H](C(=O)N2CC[C@@H](n3cc(CNCC#N)nn3)C2)C1 1098780392 UQUQSSIJYKHMSY-TZMCWYRMSA-N 317.397 -0.384 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(Cc2ncccn2)C[C@H]1O 1099741464 UJMCLLHKPHBFFQ-QWHCGFSZSA-N 306.366 -0.269 30 20 DBED CCC(=O)N[C@@H](C)C(=O)NCC[C@@H](C)N=c1cc[nH]c(C#N)n1 1099745307 NEYJIMWABMXWBW-MNOVXSKESA-N 318.381 -0.008 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2nccc(C)n2)[C@@H](O)C1 1099800034 WRPREMSSMMRODP-KBPBESRZSA-N 318.377 -0.400 30 20 DBED N#CCN1CC[C@H](NC(=O)CNC(=O)C2CCCCC2)[C@@H](O)C1 1100096783 NBIYDZLEECUUBS-KBPBESRZSA-N 322.409 -0.242 30 20 DBED Cc1nc(C(=O)NCC2CC(NCC(=O)NCC#N)C2)co1 1100270796 OICPWSNLQAMFJP-UHFFFAOYSA-N 305.338 -0.279 30 20 DBED CN(CCNC(=O)[C@]1(C)CCC(=O)N1)c1ccnc(C#N)n1 1100309898 RXIVDZAOEBDDOU-AWEZNQCLSA-N 302.338 -0.431 30 20 DBED CN(CCNC(=O)CCS(C)(=O)=O)c1ccc(C#N)cn1 1100393888 ADWHMYDWOUHFBQ-UHFFFAOYSA-N 310.379 -0.060 30 20 DBED CCN(CCNC(=O)[C@H]1CNC(=O)N1)c1cc(C)ncc1C#N 1100699225 ZXNSIQOIFLFSRD-GFCCVEGCSA-N 316.365 -0.114 30 20 DBED C=CCNC(=O)CNC1CC(CNC(=O)c2ccnnc2)C1 1100700563 XDZMUVZBFNFJRE-UHFFFAOYSA-N 303.366 -0.123 30 20 DBED C=C(C)CNC1CC(CNC(=O)CNC(=O)Cn2cncn2)C1 1101030026 GDTJFOWPKYXOOC-UHFFFAOYSA-N 320.397 -0.545 30 20 DBED C=C(C)CCNC1CC(CNC(=O)c2cn(CC(N)=O)nn2)C1 1101031684 OSWNFXNZOZZTMA-UHFFFAOYSA-N 320.397 -0.172 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@H]2CN(CC(=O)NCC)C[C@@]2(C)C1 1101233638 OXSAZIJITIGYGB-VBQJREDUSA-N 321.421 -0.059 30 20 DBED C[C@@]12CN(CC#N)C[C@@H]1CN(C(=O)CCCS(N)(=O)=O)C2 1101346077 UJAAEXYSPVAXJY-YPMHNXCESA-N 314.411 -0.641 30 20 DBED N#Cc1ccc(N(CCNC(=O)[C@H]2CCNC2=O)C2CC2)nn1 1101419007 QOZWZFBFTKZQAD-LBPRGKRZSA-N 314.349 -0.431 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC2(C[C@H](NC(C)=O)c3nccn32)C1 1101599800 WXOFYBYDDPQZAW-YPMHNXCESA-N 315.377 -0.387 30 20 DBED C#CCN1C[C@@H](C)[C@H](CCNC(=O)C[C@H]2CC(=O)NC2=O)C1 1103789739 PCPPLJIWUHXLIQ-UPJWGTAASA-N 305.378 -0.253 30 20 DBED COC(=O)NCC(=O)NC[C@@H](C)CNc1ccc(C#N)nn1 1103856624 HNSUQDJJMLVWBE-VIFPVBQESA-N 306.326 -0.132 30 20 DBED Cc1cc(=NC[C@H](C)CNC(=O)c2nnn(C)n2)c(C#N)c[nH]1 1104181660 HCUQWDMJPYSMOF-VIFPVBQESA-N 314.353 -0.315 30 20 DBED C[C@@H](CNc1ccc(C#N)nn1)N(C)C(=O)Cn1cnnn1 1104447367 AHTQNJDFAPGVRI-VIFPVBQESA-N 301.314 -0.706 30 20 DBED C[C@@H]1CN(C(=O)CCCS(N)(=O)=O)C[C@H]1CCNCC#N 1104608191 BMKKWHYEFZQFOK-VXGBXAGGSA-N 316.427 -0.347 30 20 DBED C[C@H](CNc1nccnc1C#N)N(C)C(=O)Cn1nccn1 1104702004 QXCMTSKACQLVAU-SNVBAGLBSA-N 300.326 -0.101 30 20 DBED C=C(C)CNCc1cn(C2CN(C(=O)[C@@H]3CNC(=O)N3)C2)nn1 1105314315 PVWFWPLWNJTJAL-LBPRGKRZSA-N 319.369 -0.992 30 20 DBED CN(CCN(C)c1ccnc(C#N)n1)C(=O)CCc1cnn[nH]1 1105569070 KCSABHLULORINW-UHFFFAOYSA-N 314.353 -0.006 30 20 DBED CC(=O)N[C@H](C)C(=O)NC[C@@H](O)CNc1ccc(C#N)cn1 1105734657 AYELJHQPZZMCEL-SKDRFNHKSA-N 305.338 -0.633 30 20 DBED Cc1cc(C(=O)NC[C@@H](O)CNc2ccc(C#N)nn2)cnn1 1105813809 RWLNBNBBQNUZPW-LBPRGKRZSA-N 313.321 -0.351 30 20 DBED CCn1ncc(C(=O)NC[C@@H](O)CNc2nccnc2C#N)n1 1105822443 PZUVYOOALTYQSC-VIFPVBQESA-N 316.325 -0.838 30 20 DBED C=CCCOCC(=O)NC[C@H](O)CNc1ccc(C#N)nn1 1105890345 PKJYXPHIUMCYJV-GFCCVEGCSA-N 305.338 -0.170 30 20 DBED N#Cc1cccnc1NC[C@H](O)CNC(=O)[C@]1(F)CCOC1 1106073101 QGSMQNDMBSNRHM-FZMZJTMJSA-N 308.313 -0.029 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H](O)CNc1cc(C)ncn1 1106155124 VDEQFBILBCLDMN-KGLIPLIRSA-N 317.393 -0.228 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)[C@H]2CCNC2=O)C[C@H]1C 1106522064 CELHHEFKJFDTBH-MCIONIFRSA-N 307.394 -0.544 30 20 DBED C#CCNC[C@@H]1CN(C(=O)CCS(=O)(=O)N(C)C)C[C@H]1C 1107023388 KKVQZJHMNYQFCN-CHWSQXEVSA-N 315.439 -0.415 30 20 DBED N#CCN1CC(n2cc(CNC(=O)Cc3cccnc3)nn2)C1 1107159010 JTKHNQVIVMMWBA-UHFFFAOYSA-N 311.349 -0.088 30 20 DBED C#CCNC(=O)CN1CC[C@@]2(CNC(=O)COC)CCC[C@@H]12 1107244383 VAAKXMNPGXBSCK-CZUORRHYSA-N 307.394 -0.257 30 20 DBED Cc1nc(O)[nH]c1C(=O)NC/C=C\CN=c1cc[nH]c(C#N)n1 1107385735 WKHHWMLAOHSHHB-IHWYPQMZSA-N 313.321 -0.095 30 20 DBED N#Cc1nccnc1NC/C=C\CNC(=O)C1(C(N)=O)CC1 1107480820 UVKAYINBDMPMKJ-UPHRSURJSA-N 300.322 -0.302 30 20 DBED N#CCN1CC[C@@]2(CNC(=O)CCn3cnnn3)CCC[C@@H]12 1107585771 OLPCPQOPPBNVPN-TZMCWYRMSA-N 303.370 -0.052 30 20 DBED C[C@]1(CNC(=O)CSCC#N)CN(CCCO)CCO1 1107753990 PXHGULZXADCKBD-ZDUSSCGKSA-N 301.412 -0.167 30 20 DBED C#CCCN1CCO[C@](C)(CNC(=O)CN2CCOCC2=O)C1 1107996727 GZKNOWZLQVSEEI-MRXNPFEDSA-N 323.393 -0.924 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)[C@H]2CCN(C)C(=O)C2)C1 1108031664 CMLXIRBIKOIOOW-XJKSGUPXSA-N 307.394 -0.305 30 20 DBED CCO[C@H](CC)C(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1 1108513780 RDHCXTNENVAOPP-DGCLKSJQSA-N 308.382 -0.274 30 20 DBED C[C@@H](CN=c1cc[nH]cc1C#N)NC(=O)CC1CS(=O)(=O)C1 1108596537 MZMAIDQZKRJDDF-JTQLQIEISA-N 322.390 -0.274 30 20 DBED Cn1nnnc1CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CSCC#N 1108947350 PHUHLMCDXSOOIQ-VWYCJHECSA-N 321.410 -0.312 30 20 DBED C[C@@H](CN(C)c1ccnc(C#N)n1)NC(=O)COCCN(C)C 1109039068 GTWLSJYPYHRVOA-LBPRGKRZSA-N 320.397 -0.133 30 20 DBED C[C@H](CN(C)c1nccnc1C#N)NC(=O)[C@@H]1CCC(=O)N1C 1109179047 KFJYXXKOIYCEQW-PWSUYJOCSA-N 316.365 -0.090 30 20 DBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cn1cccn1 1110280184 PUVPQFNBHVZRHS-MCIONIFRSA-N 317.393 -0.093 30 20 DBED CNC(=O)CC(=O)N[C@]1(C)CCN(c2cncc(C#N)n2)C1 1110745489 LHJBKNWPCINJOY-CQSZACIVSA-N 302.338 -0.431 30 20 DBED CCOCCC(=O)N(C)[C@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1111174814 ZAOWEWVNTWHQLO-STQMWFEESA-N 319.365 -0.217 30 20 DBED C[C@@H](C(=O)NC(N)=O)N1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 1112774274 PBEHHWHRIAGCLD-VIFPVBQESA-N 318.337 -0.772 30 20 DBED C#CCNC(=O)CC(=O)N1CCN(C[C@@H]2CCCCO2)CC1 1112779409 YQORPKRTVPBSBE-AWEZNQCLSA-N 307.394 -0.161 30 20 DBED C[C@@H](NC(=O)Cn1ncnn1)[C@@H](C)Nc1nccnc1C#N 1113193091 DRNDAWPMGZDWRU-RKDXNWHRSA-N 301.314 -0.660 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H](C)N(C)c1cncc(C#N)n1 1113567292 OLFRNQGEMJNNEH-NSHDSACASA-N 314.349 -0.571 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)[C@H]2CCN(C)C2)CC1 1113631775 KTNPPOTXTNWILB-KBPBESRZSA-N 308.426 -0.227 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)c3cscn3)[C@H]2C1 1114012711 JZKAFRZKZDRLDO-DCQANWLSSA-N 318.402 -0.059 30 20 DBED C=CCOCC(=O)N[C@H]1[C@@H]2CN([C@H](C)C(=O)NC(=O)NC)C[C@@H]21 1114050721 HXRDEHMILHKJJK-DCQANWLSSA-N 324.381 -0.921 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1[C@@H]2CN(CC(=O)Nc3cnccn3)C[C@@H]21 1114067842 XOVCCGKRGWEPGE-KZWBYHQPSA-N 314.349 -0.379 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)Cc3cc(C)on3)[C@H]2C1 1114074268 IVRUCQMRRZVPBT-VIKVFOODSA-N 318.377 -0.126 30 20 DBED C#CCOCCC(=O)NC1[C@H]2CN(CC(=O)N3CCCC3)C[C@H]12 1114263388 UQKRWOZATYKJII-KBPBESRZSA-N 319.405 -0.305 30 20 DBED C[C@@H](CCCN=c1cc[nH]c(C#N)n1)NC(=O)[C@H]1C[C@H]1C(N)=O 1115075246 BMBTWMSDMFCWFX-AXFHLTTASA-N 316.365 -0.412 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)c3ccc(O)nc3)[C@@H]2C1 1115192528 OMNNYAYDLSVBMT-VXGBXAGGSA-N 316.361 -0.251 30 20 DBED C[C@H](C(=O)N1CCCC1)N1CCN(CC(=O)NCCC#N)CC1 1116249140 WSFVUOPSAWFCRP-CQSZACIVSA-N 321.425 -0.355 30 20 DBED C#CCOCCNC(=O)[C@H](C)S(=O)(=O)C1CCOCC1 1116542479 JBBGVDDMLWSFSF-NSHDSACASA-N 303.380 -0.265 30 20 DBED C=C(C)COCCNC(=O)C(=O)NC[C@H](C)S(C)(=O)=O 1117553811 TUFMLOFFYXKDHM-JTQLQIEISA-N 306.384 -0.755 30 20 DBED C=C(C)COCCNC(=O)C(=O)N1C[C@@H](C)O[C@@H](CO)C1 1117605701 RUUKCHJBGCQEFS-VXGBXAGGSA-N 300.355 -0.697 30 20 DBED C=C[C@H]1CCCCN1C(=O)C(=O)N1CCN2C(=O)NC[C@@H]2C1 1117912932 VZHKRMOLCUIMCB-NWDGAFQWSA-N 306.366 -0.211 30 20 DBED Cc1cc(C(=O)NC[C@@H](CO)Nc2cnc(C#N)cn2)n[nH]1 1121120653 RZGVHXCRALBQJN-JTQLQIEISA-N 301.310 -0.417 30 20 DBED Cc1c(C(=O)NC[C@H](CO)N=c2cc[nH]cc2C#N)nnn1C 1121404188 CWZXVXRBFUWDLG-LLVKDONJSA-N 315.337 -0.985 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)CCCCC(N)=O)nc1 1122045988 ZZZZKKCGVJXTPK-LBPRGKRZSA-N 319.365 -0.112 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)CO[C@@H]2CCOC2)nc1 1122072850 YUKCMROPSXHASX-CHWSQXEVSA-N 320.349 -0.352 30 20 DBED N#Cc1cnc(N2CC[C@@]3(NC(=O)CC(N)=O)CCC[C@H]23)cn1 1123394576 QTOXQYDAXACZTD-NHYWBVRUSA-N 314.349 -0.159 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)[C@H]1CCOC1 1124141382 TUUCSNAKKHMITI-QWRGUYRKSA-N 305.338 -0.962 30 20 DBED C[C@@H](C#N)C(=O)NCCN[C@@H]1CCCN(c2cnn(C)c2)C1=O 1124903176 OXPDKJHQJRQEAD-WCQYABFASA-N 318.381 -0.219 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)c1cc(C)ncn1 1125761387 HSCVJRTWCRKCQG-UHFFFAOYSA-N 320.353 -0.884 30 20 DBED C#CCCCC(=O)NCCNC[C@@H]1CCN(S(C)(=O)=O)C1 1126338683 FYALQFGXACYXNP-ZDUSSCGKSA-N 315.439 -0.223 30 20 DBED COCCN(CCNC(=O)c1nc[nH]n1)c1ccncc1C#N 1126383959 HVCJBOSWGHYMJP-UHFFFAOYSA-N 315.337 -0.046 30 20 DBED CC(C)C#CC(=O)NCCNC[C@H]1CCN(S(C)(=O)=O)C1 1126816334 YUCLUQZNHMMICS-CYBMUJFWSA-N 315.439 -0.367 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)c1ccc(C)nn1 1126926654 QCOAZJWURVKLLB-UHFFFAOYSA-N 318.381 -0.133 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCOCCN=c1cc[nH]c(C#N)n1 1127259292 QZPQVYRVASUXPV-NSHDSACASA-N 302.338 -0.183 30 20 DBED N#CCNCc1cccc(N2CC[C@H](NC(=O)CC(N)=O)C2)n1 1128095799 BINOWYZBGGWICN-LBPRGKRZSA-N 316.365 -0.735 30 20 DBED COCCCC(=O)NCc1nc([C@H]2COCCN2CC#N)n[nH]1 1130829142 UQICMQHVYXMYRZ-LLVKDONJSA-N 322.369 -0.256 30 20 DBED CC#CCN[C@@H]1CN(C(=O)c2cnn[nH]2)C[C@H]1c1cncn1C 1131022946 LMRFSVCHQRGDIO-DGCLKSJQSA-N 313.365 -0.241 30 20 DBED C#CCCN1CCNC(=O)CCN(C(=O)[C@@H](C)CC(N)=O)CC1 1131374416 YVUHVBKKPAVSBE-ZDUSSCGKSA-N 322.409 -0.828 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)c1n[nH]cc1F 1133479387 WDBKRKGFFBRCFL-UHFFFAOYSA-N 310.333 -0.370 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)C[C@H](C)NCc1nc(O)n[nH]1 1134130212 DTUVCUSQGYMUMM-VHSXEESVSA-N 322.369 -0.977 30 20 DBED Cc1cnn(C)c1C(=O)N[C@@H](C)C[C@H](C)NCC(=O)NCC#N 1135217532 DIBSMJHZWKETKC-RYUDHWBXSA-N 320.397 -0.145 30 20 DBED C=CCOCCN1CCC2(C1)CN(C(=O)[C@H]1COC(=O)N1)C2 1147455089 CBVVVWPXNCZGCM-GFCCVEGCSA-N 309.366 -0.168 30 20 DBED N#CCN1CCCO[C@H](CNC(=O)Cn2cc(C3CC3)nn2)C1 1149842174 QLRPUJBDLJDMSJ-CYBMUJFWSA-N 318.381 -0.114 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)C1=COCCO1 1151691798 OKHNKHWLCWJYAC-LLVKDONJSA-N 310.354 -0.659 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)c1cnc(O)n1C 1154602001 OYUYTZYHXPVZDD-SNVBAGLBSA-N 322.369 -0.794 30 20 DBED CN(CC#N)C[C@H]1CCCCN1C(=O)c1cn(C)c(=O)nc1O 1158872369 KPPUQTFWGFYNFQ-LLVKDONJSA-N 319.365 -0.064 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCCN[C@H]1CCCN(C)C1=O 1160198175 VTEONETVWCTWGD-GJZGRUSLSA-N 320.437 -0.199 30 20 DBED C=CCNC(=O)CNCCCNC(=O)c1cccc(C(N)=O)c1 1161141798 LCZHGGRUCIXCSX-UHFFFAOYSA-N 318.377 -0.203 30 20 DBED COCC#CCNCCCNC(=O)[C@H]1CCc2nc(C)nn2C1 1163027480 UASHIQBIWDNWAQ-AWEZNQCLSA-N 319.409 -0.105 30 20 DBED C=CC(C)(C)C(=O)NCCCNCC(=O)N1CCNC(=O)C1 1163952903 DEVZRQLAMWNVTO-UHFFFAOYSA-N 310.398 -0.747 30 20 DBED C=CCCn1cc(C(=O)NCCCNC[C@@H](O)COC)nn1 1167990978 DUIGCSRJUOOMEB-GFCCVEGCSA-N 311.386 -0.429 30 20 DBED Cc1cc(=O)c(C(=O)NCCCNCC(=O)NCC#N)c[nH]1 1170083081 HQBRPVWOILZIFA-UHFFFAOYSA-N 305.338 -0.967 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)[C@H]1C 1178481251 LXVZXQDVEAAQDZ-AAEUAGOBSA-N 313.361 -0.172 30 20 DBED C=CCN[C@H]1CCN(C(=O)CS(=O)(=O)CCOC)[C@H]1C 1179018594 CMQDRRHYXILPQW-RYUDHWBXSA-N 304.412 -0.187 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2cnc(C)n2C)[C@H]1C 1179403020 ALUNCKRVWIMAAO-AAEUAGOBSA-N 317.393 -0.329 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 1183576189 FCQRHTGREIZYBE-MGPQQGTHSA-N 324.425 -0.802 30 20 DBED C#CCNC[C@@H]1CCN(C(=O)c2nnc(O)nc2O)C[C@@H]1C 1184733992 FRJFPJHNSOSOBZ-UWVGGRQHSA-N 305.338 -0.396 30 20 DBED C=CCCn1cc(C(=O)N2CC[C@@H](NC[C@@H](O)COC)C2)nn1 1186221480 LUCIFDKSZOABPJ-CHWSQXEVSA-N 323.397 -0.334 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2n[nH]cc2C)C1 1190016616 ZJDWIEZBAUEEJF-LBPRGKRZSA-N 303.366 -0.386 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CN(C[C@H]2CCNC(=O)CC2)C[C@H]1O 1192822341 YYYOZSHWTULVKJ-RBSFLKMASA-N 319.405 -0.523 30 20 DBED CN1CC[C@H](CC(=O)N2CC[C@H](N(C)CC(=O)NCC#N)C2)C1 1193461237 GWOUWXFPMURDJX-KGLIPLIRSA-N 321.425 -0.499 30 20 DBED C=CCCN(C)[C@@H]1CCN(C(=O)Cn2nc(C)n(C)c2=O)C1 1193788055 WXCSYNUGCXIULP-CYBMUJFWSA-N 307.398 -0.001 30 20 DBED N#CCSCC(=O)N1CCCN([C@@H]2CCC(=O)NC2=O)CC1 1194918874 DIBTYDYASPIVTR-LLVKDONJSA-N 324.406 -0.417 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H](OC)c2cnn(C)c2)C1 1195029099 AIIWSPYKHIFVSH-MCIONIFRSA-N 308.382 -0.155 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCCN(Cc2cnn(C)n2)CC1 1195792476 TWXAMTOSYQDNHO-ZDUSSCGKSA-N 305.382 -0.112 30 20 DBED N#CCN1CCCN(C(=O)CNC(=O)c2ccncc2)CC1 1195925564 CVBYTQBCODBNPG-UHFFFAOYSA-N 301.350 -0.131 30 20 DBED COCC#CCN1CCCN(C(=O)c2nnc(O)nc2O)CC1 1196423422 ILWUELBHGDVVMZ-UHFFFAOYSA-N 321.337 -0.920 30 20 DBED C#CCNC(=O)[C@H](C)N1CCCN(C(=O)[C@@H](C)CC(N)=O)CC1 1196769867 IGNLVKXQNXSVMU-STQMWFEESA-N 322.409 -0.830 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCCN(C(=O)c2ccncn2)CC1 1197492772 YBIYRMYTOACWGI-CYBMUJFWSA-N 315.377 -0.238 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)CC(C)C)CCCO1 1199725406 ZGNCVEZAIPAXHS-CQSZACIVSA-N 309.410 -0.011 30 20 DBED C=CCOCCNC[C@@H]1CN(C(=O)c2nnn(C)n2)CCCO1 1201188258 ZYEFDZVZQUTHGQ-GFCCVEGCSA-N 324.385 -0.767 30 20 DBED C=C(C)CNC1CCN(C(=O)CNC(=O)CNC(C)=O)CC1 1201293285 GKGKWTHATQESAR-UHFFFAOYSA-N 310.398 -0.605 30 20 DBED CC#CCNC[C@H]1CN(C(=O)[C@]2(C)CCC(=O)N2)CCCO1 1201359019 GLSUHPQPAXKBRF-BBRMVZONSA-N 307.394 -0.115 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)[C@H](C)OCC#C)CC1 1205265430 QEHOXBGJKQOTBT-AWEZNQCLSA-N 319.405 -0.398 30 20 DBED CCN1C[C@H](C(=O)N[C@@H]2CN(CC#CCOC)C[C@H]2C)CC1=O 1207284207 ONYZYXVZIIFBGU-RBSFLKMASA-N 321.421 -0.059 30 20 DBED C#CCN[C@H]1CCCN(C(=O)[C@@H](CCC)S(N)(=O)=O)C1 1208759766 UUJAMXQEYZTITC-NWDGAFQWSA-N 301.412 -0.343 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)COCC)[C@H](OC)C1 1211804477 OZNICQAQJFTESU-YNEHKIRRSA-N 313.398 -0.471 30 20 DBED CCC(CC)C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1OC 1211903712 OFRVFFBSYAQFEC-CHWSQXEVSA-N 310.398 -0.122 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)[C@@H](CC)OC)[C@H](OC)C1 1211995154 VXHRZMOGNNIETJ-JHJVBQTASA-N 313.398 -0.471 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)c2cnon2)[C@H](OC)C1 1213600012 HIRKDTHLCAWUPS-MVWJERBFSA-N 323.353 -0.811 30 20 DBED CCCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1C 1214338738 YPGGYRGZCFCORK-IJLUTSLNSA-N 323.397 -0.182 30 20 DBED C#CCCN[C@@H]1CN(C(=O)[C@H](C)NS(=O)(=O)CC)C[C@H]1C 1214683514 ABWDNYJFPIHXLB-FRRDWIJNSA-N 315.439 -0.226 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@H](CC)NC(C)=O)C[C@H]1C 1215614071 XHNZAZDFPUJMLN-KWCYVHTRSA-N 324.425 -0.360 30 20 DBED CC(C)C#CC(=O)N1CCO[C@@H]2CN([C@@H]3CCCNC3=O)C[C@@H]21 1217852864 VQPBJTMUYLTRIH-QLFBSQMISA-N 319.405 -0.164 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H](CC)SC)C1 1219473795 GCVKSVHIFYYYFM-GRYCIOLGSA-N 313.423 -0.961 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(Cc2cnc(C)cn2)C[C@@H]1O 1219536497 SACATCHOUOVDIY-YCPHGPKFSA-N 320.393 -0.227 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(CC(=O)N(CC)C2CC2)C[C@@H]1O 1219541100 BUPUCPHFRFTGFN-CABCVRRESA-N 321.421 -0.038 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)Cc2cn(C)nc2C)C1 1219814023 ORSHZHDEXXCIEO-CABCVRRESA-N 322.409 -0.365 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)Cc2cc(C)nn2C)C1 1219995884 AQWWMKKXXLLCDL-CABCVRRESA-N 322.409 -0.365 30 20 DBED COCC#CCN1CC[C@@H]2CN(C(=O)c3cn(C)c(O)n3)[C@@H]2C1 1221789203 KLOWUZNPFHXFDX-TZMCWYRMSA-N 318.377 -0.078 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)Cc2cc[nH]n2)CC1 1226709303 YAAIDHUKJBQSRB-UHFFFAOYSA-N 305.382 -0.165 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)c2cnnc(O)c2)CC1 1227899281 DBPOYJFXWYVGMC-UHFFFAOYSA-N 319.365 -0.321 30 20 DBED C[C@H]1COCC[C@H]1C(=O)NC1CCN(CC(=O)NCC#N)CC1 1229058481 NOCHPFPOAZGBLE-GXTWGEPZSA-N 322.409 -0.121 30 20 DBED C#CCOCCC(=O)N(C)C[C@@H]1CCN1Cc1cnn(C)n1 1234245844 GNCBXACZBFYIIY-AWEZNQCLSA-N 305.382 -0.112 30 20 DBED N#CCN1CCC(NC(=O)C(=O)N2CC[C@](F)(C#N)C2)CC1 1258234949 NHJUOHJGROWRLG-AWEZNQCLSA-N 307.329 -0.445 30 20 DBED CCNS(=O)(=O)[C@H]1CCN(C(=O)[C@@H](N)CCCC#N)C1 1261455796 BURACEKTUFZXNH-QWRGUYRKSA-N 302.400 -0.452 30 20 DBED CC(=O)N1CC[C@@H](NC(=O)C(=O)N2CCC[C@H](CC#N)C2)C1 1261770534 VTYOPJHZWMXZAK-CHWSQXEVSA-N 306.366 -0.124 30 20 DBED COCC(=O)NCCC(=O)O[C@H](C)C(=O)NC1(C#N)CCC1 1320762843 WJHPIWCROHNJKM-SNVBAGLBSA-N 311.338 -0.367 30 20 DBED CN(Cc1cccc(C#N)c1)C(=O)C(=O)NCc1ncn(C)n1 1323242610 FNAPIDBWIRDYHM-UHFFFAOYSA-N 312.333 -0.038 30 20 DBED CN1CC(=O)N(CCCC(=O)N2CC[C@](O)(CC#N)C2)C1=O 1326384479 YVNFBTPSYACDNK-CQSZACIVSA-N 308.338 -0.462 30 20 DBED C[C@H](C#N)OCCN1C(=O)N[C@H](CC(=O)N2CCOCC2)C1=O 1333673734 ZHIOZEQBUDMDPF-GHMZBOCLSA-N 324.337 -0.916 30 20 DBED C#CCOCCn1nnnc1N1CCC2(CC1)C[C@@H](O)CCO2 1335758713 YODWSKPNEGQRKJ-ZDUSSCGKSA-N 321.381 -0.167 30 20 DBED C#C[C@H](C)N(C)c1nnc(Cn2cnc(C#N)n2)n1CCOC 1343248917 GUZRRTRUAUNGOX-NSHDSACASA-N 314.353 -0.106 30 20 DBED C[C@H]1C[C@H](NC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)C[C@@H](C)O1 1345868030 JOCYWIJGTOSNDL-OXIQGZBJSA-N 309.366 -0.064 30 20 DBED COc1ncc(NC(=O)Cn2ccc(=O)n(C)c2=O)cc1C#N 1361530928 ZLJOIVVHAHHLCW-UHFFFAOYSA-N 315.289 -0.539 30 20 DBED CN(CCN1CCCC1)C(=O)CCn1cc(C#N)c(O)nc1=O 1361901354 AFLAHEMYKVSMQA-UHFFFAOYSA-N 319.365 -0.235 30 20 DBED N#Cc1ccsc1NC(=O)Cn1nc(C(N)=O)ccc1=O 1364285147 VMMVQEIHIBUQOI-UHFFFAOYSA-N 303.303 -0.086 30 20 DBED CN(CCS(N)(=O)=O)S(=O)(=O)c1ccc(C#N)cc1F 1365731099 FYHAAMIGUFUMOQ-UHFFFAOYSA-N 321.355 -0.394 30 20 DBED C=C(Cl)CNC1(CNC(=O)[C@@H]2CC(=O)NC(=O)N2)CCC1 1368491601 UVMDGRNYQYLPRS-VIFPVBQESA-N 314.773 -0.035 30 20 DBED C[C@@H](NC(=O)NCCn1cnc(C#N)n1)[C@@H](O)C(F)(F)F 1369787512 XEIQOEQTGZWUAR-HTRCEHHLSA-N 306.248 -0.239 30 20 DBED Cc1nn[nH]c1C(=O)NC[C@H](O)CNCc1ccc(C#N)s1 1374642020 ZYFNHNJBFKEOKA-SECBINFHSA-N 320.378 -0.073 30 20 DBED C=C(Cl)CNC[C@H]1CN(C(=O)[C@H](C)NC(N)=O)CCO1 1380905727 SXNROLZEAIKOJI-UWVGGRQHSA-N 304.778 -0.387 30 20 DBED C[C@H](C#N)C(=O)NC1CN(CCCS(=O)(=O)N(C)C)C1 1391421346 RJYYISHTMIEGMM-SNVBAGLBSA-N 302.400 -0.772 30 20 DBED CN(CCNC(=O)c1cnnc(O)c1)C(=O)c1c[nH]c(C#N)c1 1397944279 SQPQZDZYQLBIQX-UHFFFAOYSA-N 314.305 -0.116 30 20 DBED CCN1CCO[C@@H](C(=O)N2CC(CNC(=O)[C@@H](C)C#N)C2)C1 1398811261 FOGXKFBDKYHUKH-WCQYABFASA-N 308.382 -0.559 30 20 DBED C[C@@H](NC[C@@H](O)CNC(=O)c1cc(C#N)c[nH]1)C(=O)NC1CC1 1420118836 VHQFSGNNGRUKDY-BXKDBHETSA-N 319.365 -0.766 30 20 DBED CCNC(=O)NC(=O)[C@@H](C)NC1(CNC(=O)[C@H](C)C#N)CC1 1420922772 STSXIRIWUDMFJW-NXEZZACHSA-N 309.370 -0.381 30 20 DBED CC(C)Cn1ncnc1CNC[C@H](O)CNC(=O)[C@@H](C)C#N 1438986944 UCVSNKQPXRVCDZ-RYUDHWBXSA-N 308.386 -0.340 30 20 DBED CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)Cn1cc(C#N)c(O)nc1=O 1465323366 TUTPKTAAHOYYGI-JLLWLGSASA-N 318.333 -0.250 30 20 DBED COCCN(CCNC(=O)c1cnn(C)c1N)C(=O)[C@H](C)C#N 1488534296 YNOKLXUPWWEGRZ-SNVBAGLBSA-N 322.369 -0.633 30 20 DBED CC[C@H](CNC(=O)[C@@H]1CCC(=O)N1)NC(=O)c1cc(C#N)c[nH]1 1499245234 WKGORRLZIBTXSN-MNOVXSKESA-N 317.349 -0.210 30 20 DBED CCN(CCNC(=O)Cn1nc(C)n(C)c1=O)C(=O)[C@H](C)C#N 1529011205 YMRJFAJUFPECLB-SNVBAGLBSA-N 322.369 -0.985 30 20 DBED C=CCOC[C@@H](NC(=O)c1cc(C(=O)OC)nn1C)C(=O)O 1573369547 VWDJZRDRXSTDSK-SECBINFHSA-N 311.294 -0.408 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1[C@@H]2CN(Cc3cnn[nH]3)C[C@@H]21 1575112288 SNDNKVUYAHNSEB-DGTMBMJNSA-N 303.366 -0.058 30 20 DBED N#Cc1cn(CC(=O)N[C@@]23CCC[C@H]2NCC3)c(=O)nc1O 1580080789 GZMWOUKKPQCZJV-QMTHXVAHSA-N 303.322 -0.779 30 20 DBED N#CCC1(O)CN(CC(=O)Nc2sccc2-c2nn[nH]n2)C1 1581857723 GWZDLAWYHXEKRZ-UHFFFAOYSA-N 319.350 -0.173 30 20 DBED N#Cc1ncc(N2CCO[C@@]3(CCOC3)C2)nc1-c1nn[nH]n1 1581883172 QGUSRHPQIICWFH-ZDUSSCGKSA-N 314.309 -0.476 30 20 DBED C#CCN1CCN(C(=O)CN2C[C@@H](C(=O)O)CC[C@@H]2C)CC1 1588430801 OWOXVSUTUXSBNE-KBPBESRZSA-N 307.394 -0.051 30 20 DBED C=CC[C@H](C(=O)O)N(CC)CC(=O)N[C@@H]1CCS(=O)(=O)C1 1588729690 SZEUUZFPIBEZQE-GHMZBOCLSA-N 318.395 -0.359 30 20 DBED COC(=O)[C@H]1CN(S(=O)(=O)CC(C)(C)C#N)C[C@@H]1C(=O)O 1598828478 WUJCRLMBLKKOHP-IUCAKERBSA-N 318.351 -0.328 30 20 DBED C#C[C@@H](CO)NS(=O)(=O)Cc1csc(-c2nn[nH]n2)c1 1602687629 CZJYQQKCXRLMSZ-QMMMGPOBSA-N 313.364 -0.658 30 20 DBED C#CC[C@H](NS(=O)(=O)C[C@]1(OC(C)C)CCOC1)C(=O)O 1602698744 UAXOVRGYWOSCSI-AAEUAGOBSA-N 319.379 -0.034 30 20 DBED CCCNC(=O)NC(=O)Cn1cc(C(=O)O)cc(C#N)c1=O 1605332184 UOEBAQUDHQEHRX-UHFFFAOYSA-N 306.278 -0.346 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H](CC)C(=O)O)C1=O 1609373931 WKKKKVRLGCHNKD-QMMMGPOBSA-N 311.294 -0.810 30 20 DBED C[C@](O)(CNC(=O)C(=O)N1CCc2ccc(C#N)cc21)C(=O)O 1609943021 CGYBKCCGOXVGRU-HNNXBMFYSA-N 317.301 -0.601 30 20 DBED N#CCOc1cccc(CNC(=O)CN2CCNC(=O)C2)c1 1646224236 RXFIUDRSPXMYMD-UHFFFAOYSA-N 302.334 -0.363 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)c2cc(Cl)no2)C1 1661038148 HHDJHMYSHGWYJP-SECBINFHSA-N 310.741 -0.119 30 20 DBED C=CCNC(=O)CN[C@H]1C[C@H](NC(=O)c2cnnc(C)c2)C1 1752628267 UPYICCCKZCMTAU-JOCQHMNTSA-N 303.366 -0.062 30 20 DBED C[C@@]1(C(=O)N[C@H]2C[C@@H](NCC(=O)NCC#N)C2)C[C@H]2CC[C@H]1O2 1752731497 PORZXOJYNPFFLV-ZUSNOYAUSA-N 320.393 -0.179 30 20 DBED C[C@H]1CN(C(=O)CN[C@H](C)CNC(=O)C#CC2CC2)CCO1 1752869722 NIGODFLQTFSANE-OLZOCXBDSA-N 307.394 -0.259 30 20 DBED C#CCNC(=O)[C@H](C)N(C)C[C@@H]1CCN(C(=O)COCC)C1 1753346861 NWCDYIXHAPYBPG-KBPBESRZSA-N 309.410 -0.059 30 20 DBED C[C@@H](CC(=O)NC1CN(CC(=O)NCC#N)C1)[C@@H]1CCCO1 1753392975 YQOIACFPZSTACY-AAEUAGOBSA-N 308.382 -0.368 30 20 DBED C#CCCNCCC1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)CC1 1753567967 SHSXDTXJQPDQPU-ZDUSSCGKSA-N 320.393 -0.174 30 20 DBED Cc1c(C(=O)NC[C@@H](C)CNCC(=O)NCC#N)cnn1C 1753606142 RMIBAGRJPQVDML-JTQLQIEISA-N 306.370 -0.676 30 20 DBED COCC#CCNC[C@H](C)N(C)C(=O)CCS(C)(=O)=O 1753699426 WMHZHCYGCHXADL-LBPRGKRZSA-N 304.412 -0.493 30 20 DBED C=CCNC[C@@H](O)CNC(=O)c1ccnc(-n2cncn2)c1 1753945527 AXYIEZWHJJJZEI-GFCCVEGCSA-N 302.338 -0.471 30 20 DBED C#CCNC(=O)[C@@H](C)NC/C=C\CNC(=O)c1cnnn1CC 1754132060 KBQFDTLZNZEGJQ-ZHRWSRJISA-N 318.381 -0.689 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@H](C)NC(=O)c1cn2c(n1)CCC2 1754267082 VYJIMALVZRZJBT-RYUDHWBXSA-N 317.393 -0.325 30 20 DBED C#CCN1CCC[C@](CO)(NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 1754857855 PSFFXLOFSNEGGC-WWGRRREGSA-N 307.394 -0.536 30 20 DBED C=CCN1CCC[C@](CO)(NC(=O)COCc2nncn2C)C1 1754859452 XOKXFLWSZDHNPH-HNNXBMFYSA-N 323.397 -0.539 30 20 DBED CNC(=O)NC(=O)CNCC[C@H]1CCN(C(=O)C#CC(C)C)C1 1754915505 WIRHFDUVRKPUDG-ZDUSSCGKSA-N 322.409 -0.070 30 20 DBED N#CCNC(=O)CNC[C@H]1CN(C(=O)c2ccsn2)CCO1 1755002908 BJLIKMWMUWCORM-JTQLQIEISA-N 323.378 -0.787 30 20 DBED C#CCNC[C@@H]1CN(C(=O)C2CCN(CC#C)CC2)CCO1 1755018145 QHGFEXLBRKYGRV-MRXNPFEDSA-N 303.406 -0.218 30 20 DBED C=CCNCC1(O)CCN(C(=O)c2cccn3nnnc23)CC1 1755154213 GVXIAQMIRVLQSE-UHFFFAOYSA-N 316.365 -0.133 30 20 DBED COCC#CCNC[C@H]1C[C@H](NC(=O)CO[C@@H]2CCOC2)C1 1755470893 LIUNMCOHQUCICE-RBSFLKMASA-N 310.394 -0.074 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H](CO)NCC(=O)NC(C)(C)C 1755628168 QBQNEDJEESOIAQ-NWDGAFQWSA-N 313.398 -0.994 30 20 DBED CC(C)C(=O)N1CCCC[C@@H]1C(=O)NC[C@H](CO)NCC#N 1755647575 MSSIKJVWTWRTRP-CHWSQXEVSA-N 310.398 -0.386 30 20 DBED CCOCC(=O)N[C@]12CCC[C@H]1N(CC(=O)NCC#N)CC2 1755696039 WKXKTJVJGIACDG-DOMZBBRYSA-N 308.382 -0.224 30 20 DBED C=C(C)CCC(=O)N(C)C[C@@H](O)CNCc1nc(=O)n(C)[nH]1 1755781166 ROQKLMZJSWVMDD-NSHDSACASA-N 311.386 -0.626 30 20 DBED C#CCCNC[C@H](O)CN(C)C(=O)[C@@H](OC)c1cnn(C)c1 1755784345 LYWNXVFHIVECJB-KBPBESRZSA-N 308.382 -0.460 30 20 DBED C#CCCNC[C@@H](O)CN(C)C(=O)c1noc2c1COCC2 1755795665 IGNXYJQKQISCQV-LLVKDONJSA-N 307.350 -0.207 30 20 DBED CC#CCNC[C@@H](O)CN(C)C(=O)[C@H]1CCc2c[nH]nc2C1 1755796447 QSVHJVYEZBJQJH-GXTWGEPZSA-N 304.394 -0.053 30 20 DBED C=CCOCC(=O)NC[C@H]1[C@@H]2CN(C(=O)c3[nH]nnc3C)C[C@H]12 1756194403 FFYYFWBMOQVBMH-CNDDSTCGSA-N 319.365 -0.250 30 20 DBED C=CCOCC(=O)N[C@@H]1CC[C@H]2CN(C(=O)C(N)=O)C[C@H]2C1 1756225557 RIBHRJUKIDZXCT-QJPTWQEYSA-N 309.366 -0.582 30 20 DBED C[C@@H](CCCNC(=O)CN1C(=O)CNC1=O)NC(=O)[C@@H](C)C#N 1756342407 XZDGNTVWTHRHCF-UWVGGRQHSA-N 323.353 -0.901 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H](CO)NC(=O)c1cnoc1CC 1756520911 GRVRCIJOIKXOAF-GHMZBOCLSA-N 323.349 -0.518 30 20 DBED C=C(C)C(C)(C)C(=O)NC[C@@H](CO)NC(=O)Cc1n[nH]c(C)n1 1756541563 YVKNXAKLKNKLML-NSHDSACASA-N 323.397 -0.149 30 20 DBED C=C1CC(C)(C(=O)NC[C@@H](CO)NC(=O)C[C@H]2CCNC2=O)C1 1756548206 JVVUJUPOFCROJF-NEPJUHHUSA-N 323.393 -0.538 30 20 DBED C=CCOCC(=O)N1CCC[C@@H](NC(=O)Cn2cnnn2)[C@H]1C 1756616490 DNDXHHZNPFGTPN-VXGBXAGGSA-N 322.369 -0.629 30 20 DBED C=CCO[C@H](C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnccn2)C1 1756976294 JCDVXYAYAVKAAG-RAIGVLPGSA-N 320.349 -0.631 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@H](NC(=O)/C=C/c2ccc[nH]2)C1 1756992203 RKXBAJTWZCXNHA-QAMKJQMISA-N 319.361 -0.082 30 20 DBED C=CCCC(=O)N[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C[C@@H]1O 1757161187 SGFRLJUFJVBUIC-XQHKEYJVSA-N 323.393 -0.458 30 20 DBED O=C(CCc1cn[nH]c1)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 1757178150 VBDQKVXOMKCPIN-KGLIPLIRSA-N 316.361 -0.556 30 20 DBED N#Cc1ncn(CCNC(=O)c2ccccc2OCC(N)=O)n1 1771699600 HBRFJOSVTDETSR-UHFFFAOYSA-N 314.305 -0.556 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cnc[nH]1)C2 1800450729 DUMLGPWPZHEFHK-DRXBFXEBSA-N 316.361 -0.435 30 20 DBED N#CC1(C(=O)N2CC3(CCCN3C(=O)[C@@H]3CNC(=O)O3)C2)CC1 1841648233 DUYSBFPEEUXIEO-JTQLQIEISA-N 318.333 -0.398 30 20 DBED COC(=O)c1cc(C#N)c(=O)n(CCN2C(=O)CCC2=O)c1 31807665 FNJVQHANXJUTMJ-UHFFFAOYSA-N 303.274 -0.344 30 20 DBED COCCN1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)C[C@H]1C 105791075 GWSFRXCHXHDPHP-LLVKDONJSA-N 321.381 -0.887 30 20 DBED C[C@H](CN1CCN(C)CC1)NS(=O)(=O)c1ccc(C#N)nc1 106895341 JQCQSAUSOVVBQH-GFCCVEGCSA-N 323.422 -0.133 30 20 DBED C=CCNC(=O)NC(=O)CN1CC[C@H](N2CCN(CC)CC2)C1 107372257 YQVYDZBKKJBCFX-AWEZNQCLSA-N 323.441 -0.290 30 20 DBED N#CCN1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 126963451 KPCQMIGZDZHFAK-UHFFFAOYSA-N 300.306 -0.039 30 20 DBED COCCNC(=O)CNS(=O)(=O)c1cc(C#N)ccc1C 134661499 DNHFHAKLECAQOJ-UHFFFAOYSA-N 311.363 -0.092 30 20 DBED CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C[C@H](C#N)CCC#N 245749052 GIMLHOMVSODFMF-RYUDHWBXSA-N 312.395 -0.335 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(Cc2nonc2C)c1=O 265026248 SDWOSVIMTUHQFV-UHFFFAOYSA-N 305.294 -0.717 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(Cc2noc(CC)n2)CC1 266874712 SKZQEVQEDAMPLQ-GFCCVEGCSA-N 305.382 -0.113 30 20 DBED COC(=O)C[C@H]1C(=O)NCCN1C[C@H](O)c1ccc(C#N)cc1 268652258 GTYFFAXZGZZDJS-KBPBESRZSA-N 317.345 -0.045 30 20 DBED CNC(=O)[C@@H]1CN(C(=O)C#Cc2ccc3c(c2)OCO3)CCO1 273126305 QNYKQFXJIXJJKT-AWEZNQCLSA-N 316.313 -0.260 30 20 DBED CC(C)(C#N)CC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 278220655 IIJZSRTVRIRMAF-UHFFFAOYSA-N 306.366 -0.124 30 20 DBED COC(=O)[C@H]1[C@@H](O)CCCN1S(=O)(=O)c1ccc(C#N)o1 287403688 OORGLHTVDSPAGP-GXSJLCMTSA-N 314.319 -0.162 30 20 DBED C#CCCS(=O)(=O)N1CCN(C(=O)C(=O)OCC)CC1 288470840 WUIGYCJYGNCNSU-UHFFFAOYSA-N 302.352 -0.953 30 20 DBED N#Cc1ccc([N+](=O)[O-])c(N2CCN3C(=O)C(=O)NC[C@@H]3C2)c1 302216594 PIWYREWQRZADQR-SNVBAGLBSA-N 315.289 -0.387 30 20 DBED COC(=O)[C@@H]1[C@@H](O)CCCN1CC(=O)N[C@](C)(C#N)C1CC1 331961327 ZWMQNTGTEWTZMU-CORIIIEPSA-N 309.366 -0.207 30 20 DBED CNS(=O)(=O)c1cccc(C(=O)N2CC(O)(CC#N)C2)c1 331964667 MFXJNPYFGLDRHD-UHFFFAOYSA-N 309.347 -0.305 30 20 DBED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NC2(CCO)CC2)n1 342599791 PUQXUTUUKZWIQI-UHFFFAOYSA-N 319.365 0.479 30 20 DBED N#CCNC(=O)CNC(=O)CCN1C(=O)[C@H]2CCCC[C@H]2C1=O 343521252 IMNINVVMGMCRPT-PHIMTYICSA-N 320.349 -0.692 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H](C)[C@@H]2CO)C1=O 349487910 PAFLGHRBXBJLBJ-MNOVXSKESA-N 323.349 -0.417 30 20 DBED N#CCCNS(=O)(=O)CCCS(=O)(=O)Nc1cn[nH]c1 349590381 JKPAXSMERUODGU-UHFFFAOYSA-N 321.384 -0.625 30 20 DBED Cc1[nH]nc(NS(=O)(=O)c2cncc(C#N)c2)c1C(N)=O 357084206 ZHSJJITWGJRZPB-UHFFFAOYSA-N 306.307 -0.116 30 20 DBED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCC[C@@H](O)C2)n1 359031645 XIOFFTALDIFIND-LLVKDONJSA-N 305.338 0.257 30 20 DBED C#CCN1CCC(C(=O)N(C)CC(=O)NCCCOC)CC1 490595093 ZVEBAXSNSLHTRH-UHFFFAOYSA-N 309.410 -0.057 30 20 DBED C#CCNC(=O)CCNCCNS(=O)(=O)c1ccccc1 491660997 ZEQXVDFHWSJVFV-UHFFFAOYSA-N 309.391 -0.306 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CCC(=O)C2)CC1 491766310 GUGSNYRSJXEQIH-ZDUSSCGKSA-N 305.378 -0.361 30 20 DBED CN(CCCc1[nH]nc(N)c1C#N)CCCS(N)(=O)=O 534834464 QCAONVFKHPSDQP-UHFFFAOYSA-N 300.388 -0.593 30 20 DBED COc1cc(C#N)ccc1NC(=O)C(=O)NC[C@@]1(O)CCOC1 546707774 MUURRBPVVGBZNB-HNNXBMFYSA-N 319.317 -0.227 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1CC[C@H](CC(=O)O)C1 572726149 LZXZYEPGWMGZQK-LLVKDONJSA-N 319.383 -0.110 30 20 DBED CC[C@H](C#N)C(=O)N(CCN1CCN(C)CC1)CC(=O)OC 593680060 HGMUMZGAMBOMPU-CYBMUJFWSA-N 310.398 -0.215 30 20 DBED C[C@H](C(=O)N(CCN(C)C)CC(=O)N(C)C)n1cnc(C#N)n1 598186013 RJDLQULXKNFRFR-LLVKDONJSA-N 321.385 -0.811 30 20 DBED C[C@H](CN1CCOCC1)NC(=O)NC1CCN(CC#N)CC1 609341005 FTHQHYVYQRCZLP-CYBMUJFWSA-N 309.414 -0.006 30 20 DBED C=C[C@](C)(O)C(=O)N1CCN(S(=O)(=O)NC(C)C)CC1 616206799 SDDRDIYYZHVIOF-LBPRGKRZSA-N 305.400 -0.690 30 20 DBED C=CCn1cc(C(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)nn1 648733503 WTCUPDPIOKKPRT-SNVBAGLBSA-N 313.383 -0.382 30 20 DBED N#CCNC(=O)COC(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O 731233241 GHYRTCUACKMCKM-GHMZBOCLSA-N 321.333 -0.265 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)N2CCO[C@H](C(=O)O)C2)cc1 738431343 XCKHCYWHGKAQTI-LBPRGKRZSA-N 317.301 -0.400 30 20 DBED COCC#CCOC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 762785642 MIXCFBHPTCQZAK-UHFFFAOYSA-N 317.301 -0.561 30 20 DBED CCN(CC)S(=O)(=O)N1CCN(CC#CCOC)CC1 762917486 MCFANKVVEHYEES-UHFFFAOYSA-N 303.428 -0.160 30 20 DBED Cn1cc(S(=O)(=O)NN=CCCC2CC2)c(=O)n(C)c1=O 807979986 ZENPUYUDESLGMK-UHFFFAOYSA-N 314.367 -0.462 30 20 DBED C#CCONC(=O)CNS(=O)(=O)c1ccc2c(c1)COC2 812786741 UIGBOWPOIYKTCZ-UHFFFAOYSA-N 310.331 -0.324 30 20 DBED C/N=C(/NCCN1CCOCC1)NC[C@](C)(O)C(F)(F)F 849001608 HZGZNIPGMCUKKO-NSHDSACASA-N 312.336 -0.203 30 20 DBED Cn1cc(N2C[C@H](C(=O)[C@H](C#N)C(=O)NC3CC3)CC2=O)cn1 860472830 FJQXOAVWCZJGES-SKDRFNHKSA-N 315.333 -0.240 30 20 DBED CN(C)S(=O)(=O)CCS(=O)(=O)N1CC[C@@](F)(C#N)C1 882111622 DLCKIJARHPZAAC-SECBINFHSA-N 313.376 -0.855 30 20 DBED C[C@H](OC(=O)CN1CCCS1(=O)=O)C(=O)N(C)CCC#N 919359343 UPFPZUATQPSYSK-JTQLQIEISA-N 317.367 -0.674 30 20 DBED C#CCN1CCC(NC(=O)[C@@H]2CC(=O)N(CCOC)C2)CC1 928656825 HMYYADNHPCNIED-CYBMUJFWSA-N 307.394 -0.305 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1cc2n(n1)CCO2 937493875 HVVLWNPHDNZTTI-VWYCJHECSA-N 315.333 -0.140 30 20 DBED C[C@@H](C#N)C(=O)N1CCCN(C(=O)CCn2ccnn2)CC1 940863185 AHKJYJVHXYCGNC-LBPRGKRZSA-N 304.354 -0.111 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@H](CNC(=O)c2cnn(C)c2)C1 944478121 PVGMJJYGZMUWCD-ZYHUDNBSSA-N 305.338 -0.463 30 20 DBED Cc1cc(C(=O)NC[C@H]2CN(C(=O)[C@@H](C)C#N)CCO2)nn1C 944504896 OPKMLTNUKWNBFO-JQWIXIFHSA-N 319.365 -0.155 30 20 DBED C#CCN1C[C@H]2CCN(C(=O)CN3C(=O)CCC3=O)CC[C@H]2C1 946887723 RKKQHONIGKSGBU-OKILXGFUSA-N 317.389 -0.061 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CN2CC(=O)NC2=O)C[C@H]1C 947821629 XMUHHUGETKGXJT-VXGBXAGGSA-N 306.366 -0.469 30 20 DBED COCCn1nc(C(=O)N2CCN(CC#N)CC2)ccc1=O 949188689 ZBOMTCXGCOCOSD-UHFFFAOYSA-N 305.338 -0.829 30 20 DBED O=C(NC[C@H]1CCN1C(=O)C#CC1CC1)c1c[nH]c(=O)cn1 951854800 HDRBFWTXUBUUFD-LLVKDONJSA-N 300.318 -0.486 30 20 DBED C#CCN1C[C@H](CNC(=O)c2cnn(CCOC)c2C)[C@@H](O)C1 958069670 OWSKSAJLZLKWMW-ZFWWWQNUSA-N 320.393 -0.506 30 20 DBED CC#CCN1C[C@H](O)[C@H](CNC(=O)c2cc(=O)c(OC)co2)C1 958262073 GLYCPVJOFKRZEV-YPMHNXCESA-N 320.345 -0.306 30 20 DBED C#CCCN1C[C@@H](O)[C@@H](CNC(=O)c2coc(C(N)=O)c2)C1 958276620 HJMKCWKTNSJAAS-NWDGAFQWSA-N 305.334 -0.576 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](CNC(=O)c2ccc(=O)n(C)n2)C1 958650525 XGPUNIODIOJRRT-OCCSQVGLSA-N 320.393 -0.231 30 20 DBED Cc1nc[nH]c1C(=O)N(C)[C@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1O 958888320 PPGRGCQBIGUMSS-LSJOCFKGSA-N 305.338 -0.479 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCN2C)C1 958911422 LFLQQDBJMJVCBR-NDBYEHHHSA-N 308.382 -0.730 30 20 DBED N#Cc1cc(C(=O)N2CCC[C@H]3[C@H]2CCN3C(=O)C(N)=O)c[nH]1 962959462 NJPGSUGTGZPTEL-NWDGAFQWSA-N 315.333 -0.423 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(C[C@@H](NC(=O)Cc3cnc[nH]3)CO2)C1 965835609 HPRAFHUADKFRNX-CMPLNLGQSA-N 317.349 -0.402 30 20 DBED C=CCN1CC[C@H](C)[C@@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)C1 968382818 WBVTYSJOEHCHNZ-QWRGUYRKSA-N 322.365 -0.580 30 20 DBED N#CCN1CCCCC[C@H]1CNC(=O)[C@H]1CCS(=O)(=O)N1 969150060 CNZMKEODRZRTPT-NWDGAFQWSA-N 314.411 -0.438 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cnco2)C[C@@H]1O 970712215 ZYUOVGWBGUOUHF-WYUUTHIRSA-N 321.333 -0.433 30 20 DBED Cn1cnn(CCC(=O)N2C[C@H]3CC[C@H]2CN3CC#N)c1=O 971640518 OYVVUEWZAHABIQ-NEPJUHHUSA-N 304.354 -0.829 30 20 DBED C#CCN1C[C@H]2CC[C@H]1CN2C(=O)c1nc(O)nc(O)c1OC 972013745 ZYKLOLLAFRKMGO-VHSXEESVSA-N 318.333 -0.182 30 20 DBED C#CCCN1CCO[C@@]2(CCN(C(=O)c3nccnc3N)C2)C1 972309014 UDWRJNOTZVVZKT-INIZCTEOSA-N 315.377 -0.001 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]1CN(C)C(=O)c1cnc(O)n1C 978153405 ODFPEZUXIKCYTN-ZJUUUORDSA-N 305.338 -0.042 30 20 DBED C#CCCN1C[C@H]2C(CNC(=O)c3ccc(=O)n(C)n3)[C@@H]2C1 979067499 ZPYXZTYZUKPKFD-STQMWFEESA-N 300.362 -0.289 30 20 DBED C#CCN[C@H]1CCC[C@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)C1 981364589 OVLYBZJMMIDAIB-QWRGUYRKSA-N 320.349 -0.943 30 20 DBED C#CCN[C@H]1CCC[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)C1 981458495 YXFGKDMMXUMOCW-WDEREUQCSA-N 314.349 -0.319 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H](N(C)C(=O)Cn2cncn2)C1 984595932 WYFCTEQXXMLMAX-NEPJUHHUSA-N 304.354 -0.113 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)C(N)=O)[C@H]2CC)cn1 985370661 VVINXPXPIXNMGK-QWHCGFSZSA-N 314.345 -0.343 30 20 DBED C#CCN[C@H]1CCN(C(=O)c2ccc(S(N)(=O)=O)o2)[C@@H]1C 986482177 MGPTZGXWFFSVEW-ZJUUUORDSA-N 311.363 -0.247 30 20 DBED C#CCN1CC[C@]2(NC(=O)Cn3cnc(C(N)=O)n3)CCC[C@@H]12 990767691 YNWHHBCNCVAMHW-IAQYHMDHSA-N 316.365 -0.877 30 20 DBED Cc1nn[nH]c1C(=O)N[C@H]1CCN(C(=O)C#CC2CC2)C[C@H]1O 991654933 WSGBZZFEEAPCJD-NWDGAFQWSA-N 317.349 -0.782 30 20 DBED C=CCN[C@@H]1CCC[C@H]2CN(C(=O)CN3CC(=O)NC3=O)C[C@@H]21 992865186 XGAHWBAMAPXKBP-RWMBFGLXSA-N 320.393 -0.059 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)c3ncn(C)n3)C2)nc1 997087556 JGOFHCCHZDNLFC-UHFFFAOYSA-N 310.317 -0.554 30 20 DBED C=C1CC(C)(C(=O)N2CC(NC(=O)CN3CCNC(=O)C3)C2)C1 997397222 XIRIQJDLTGBFIG-UHFFFAOYSA-N 320.393 -0.899 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)c2ccc3nc(O)[nH]c3n2)C1 998492844 AYGWXSDFGOFOMO-ZETCQYMHSA-N 314.305 -0.236 30 20 DBED N#Cc1ccc(C(=O)N2CC(CNC(=O)[C@H]3COCCO3)C2)[nH]1 1000995252 LJRYGYHDCFKBEG-CYBMUJFWSA-N 318.333 -0.510 30 20 DBED C[C@@H](C#N)C(=O)N1CC(CNC(=O)c2ccc(=O)n(C)n2)C1 1004570630 IROWPJCGYLQKOK-VIFPVBQESA-N 303.322 -0.872 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C(N)=O 1006385689 NAUIUUJCDUBSFA-JCIQBVFBSA-N 307.350 -0.689 30 20 DBED N#CCN1CCC[C@@H](NC(=O)[C@H]2CCc3nnc(O)n3C2)C1 1007689226 XOTLZUSBJGTHIN-WDEREUQCSA-N 304.354 -0.350 30 20 DBED C=CCN1CCC[C@@H](NC(=O)c2c[nH]nc2S(N)(=O)=O)C1 1008487995 REPWGUFRZQNMAU-SECBINFHSA-N 313.383 -0.563 30 20 DBED N#CCN1CCC[C@@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 1008890075 BOCXFOZPFDLWKK-SNVBAGLBSA-N 315.337 -0.825 30 20 DBED COc1ccc(C(=O)N2CCN(C(=O)[C@@H](C)C#N)CC2)nn1 1012328222 PEMQUKMCVVXPQO-JTQLQIEISA-N 303.322 -0.071 30 20 DBED C=CCn1cccc1C(=O)NC1[C@H]2CN(C(=O)CC(N)=O)C[C@H]12 1013279597 XDVIOGBATCIUTI-QWRGUYRKSA-N 316.361 -0.264 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCCN([C@H](C)C(N)=O)C1 1030024756 XDHPTOJZYFVWPV-MCIONIFRSA-N 306.410 -0.462 30 20 DBED C=C(C)CN1CC(CNC(=O)c2c[nH]nc2S(N)(=O)=O)C1 1031966680 MEPFXBSRGKIJLH-UHFFFAOYSA-N 313.383 -0.705 30 20 DBED CN1C(=O)CN(CC(=O)N[C@H]2CCCCN(CC#N)C2)C1=O 1034490273 HZGCQPDDXMYAKT-NSHDSACASA-N 307.354 -0.625 30 20 DBED C#CCCN1CCO[C@@H](CNC(=O)[C@H]2CC(=O)N(CC)C2)C1 1035391837 QEEMQOAYNVIECJ-KBPBESRZSA-N 307.394 -0.305 30 20 DBED CC#CCN1CCO[C@@H](CNC(=O)c2cn(C)c(=O)cn2)C1 1035448694 CQRBKKXAALECHU-LBPRGKRZSA-N 304.350 -0.766 30 20 DBED C#CCOc1ncccc1C(=O)N[C@@H]1[C@H]2C[C@H]1N(CCO)C2 1037684862 YWRJDABCCYMJMD-IACUBPJLSA-N 301.346 -0.112 30 20 DBED C#Cc1cncc(C(=O)NC[C@@H]2CCN2CC(=O)N(C)C)c1 1038685750 XBQZWSCYRGGSBX-AWEZNQCLSA-N 300.362 -0.045 30 20 DBED N#CCN1CC[C@@H]1CNC(=O)[C@@H]1CC[C@H](C(=O)N2CCCC2)O1 1038704883 GZVJABSATUVADX-HZSPNIEDSA-N 320.393 -0.130 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2CCN2[C@@H](CC)C(N)=O)nn1 1038793057 ZOGRPXLPDVNMFQ-JQWIXIFHSA-N 306.370 -0.468 30 20 DBED COCCOCC(=O)N1CC[C@@](O)(CNC(=O)C#CC2CC2)C1 1039677251 GNJLWHMBCDWWIC-MRXNPFEDSA-N 324.377 -0.858 30 20 DBED CCn1ccc(C(=O)NC[C@]2(O)CCN(C(=O)[C@H](C)C#N)C2)n1 1039713544 MSDFJIWRIZGLJO-IAQYHMDHSA-N 319.365 -0.244 30 20 DBED N#Cc1nccnc1N1C[C@@H]2CCN(C(=O)Cc3nc[nH]n3)[C@@H]2C1 1040712173 WLIBDEPREPBOHE-CMPLNLGQSA-N 324.348 -0.254 30 20 DBED CCn1ncc(C(=O)N2CC[C@](O)(CNC(=O)[C@@H](C)C#N)C2)n1 1040764781 YXWOITTWEHSHRP-HZMBPMFUSA-N 320.353 -0.849 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)C2CCOCC2)C1 1041125153 WLZXKUMPFUJFQV-UHFFFAOYSA-N 308.378 -0.094 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)c2cc(C(N)=O)c[nH]2)C1 1041960488 PWNBHTZJKXWGGS-UHFFFAOYSA-N 320.349 -0.617 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)C2=C(C)OCCC2)C1 1042039504 ABZDOTUAAUXBDU-UHFFFAOYSA-N 324.377 -0.037 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)c2coc(C)n2)C1 1042040637 WRIWOAVJBKFDDL-UHFFFAOYSA-N 309.322 -0.511 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)c2ocnc2C)C1 1042364416 MQZICUOTLOGDBH-UHFFFAOYSA-N 309.322 -0.511 30 20 DBED C#CCCCCC(=O)NCC1(O)CN(C(=O)[C@H]2CCOC2)C1 1042658369 FLLPJOZTCHNSGT-ZDUSSCGKSA-N 308.378 -0.094 30 20 DBED CN1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042958384 MQDOLTXMLOVNSL-CYBMUJFWSA-N 305.378 -0.817 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2cnc(C)[nH]2)C1 1043040865 YLRSNIYZONAZET-JTQLQIEISA-N 320.349 -0.940 30 20 DBED C=CCC1(C(=O)NCC2(O)CN(C(=O)CC(N)=O)C2)CCCC1 1043826716 PILYOODWZZLPEV-UHFFFAOYSA-N 323.393 -0.312 30 20 DBED C=C[C@@H](CC)CC(=O)NCC1(O)CN(C(=O)c2cnnn2C)C1 1045064585 VRJBNNQAHMPHGK-NSHDSACASA-N 321.381 -0.280 30 20 DBED C=CCCCC(=O)NCC1(O)CN(C(=O)c2cnnn2CC)C1 1045451587 WVRWXLLXBZGCFE-UHFFFAOYSA-N 321.381 -0.043 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)COC2CCCC2)C1 1045540379 GXNSAJJUNSLSCZ-NSHDSACASA-N 309.366 -0.205 30 20 DBED N#CCN1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCC(=O)N2)C1 1046923828 XPCBKTZFJDQOOU-VHSXEESVSA-N 300.309 -0.138 30 20 DBED C=C1CC(C)(C(=O)N(C)[C@H]2CN(Cc3nnnn3C)C[C@@H]2O)C1 1047516436 CMKBGXOSWCQZAP-RYUDHWBXSA-N 320.397 -0.430 30 20 DBED COc1cc(O)ncc1C(=O)N(C)[C@H]1CN(CC#N)C[C@@H]1O 1047529458 BUAJOBPDBSJXRR-QWRGUYRKSA-N 306.322 -0.564 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCNC2=O)C1 1048990817 ZISJVNHTKOVZED-AVGNSLFASA-N 323.393 -0.491 30 20 DBED Cc1nc2nccc(C(=O)N3C[C@@H]4CN(CC#N)C[C@@H]4C3)n2n1 1049168650 JACJKFLQFWGSDG-TXEJJXNPSA-N 311.349 -0.040 30 20 DBED C=CCC1(C(=O)N(C)[C@H]2CN(C(=O)CC(N)=O)C[C@@H]2O)CCC1 1049454191 QMDPPCMSKCECPS-RYUDHWBXSA-N 323.393 -0.362 30 20 DBED C=CCN1CC[C@@H](NC[C@H]2CN(C(=O)C(F)F)CCO2)C1=O 1051380950 PONTXEKXYAMYQC-WDEREUQCSA-N 317.336 -0.145 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)CN1CCOCC1)CCO2 1053226663 JJNSQBWWUMPBPS-UHFFFAOYSA-N 307.394 -0.745 30 20 DBED CN(C)c1cnc(C(=O)N2CCOC3(CN(CC#N)C3)C2)cn1 1053256721 CESNDJVNAHIOIK-UHFFFAOYSA-N 316.365 -0.407 30 20 DBED C#CCN1CC2(CC[C@@H](CNC(=O)c3coc(C(N)=O)c3)O2)C1 1053638773 WJTZXNBKBXZQOX-LBPRGKRZSA-N 317.345 -0.025 30 20 DBED CNC(=O)CC(=O)N[C@@]1(CO)CCCN(C(=O)C#CC2CC2)C1 1055901142 AHOUKEPEFHOTPW-INIZCTEOSA-N 321.377 -0.994 30 20 DBED Cn1nncc1C(=O)NC1[C@H]2CN(c3ccncc3C#N)C[C@H]12 1056194595 OBZXMBRJDBDYLB-QWRGUYRKSA-N 309.333 -0.054 30 20 DBED CS(=O)(=O)CC(=O)N1CC[C@@H](Nc2nccnc2C#N)C1 1056580732 JSXHBXVKFQXZNH-SECBINFHSA-N 309.351 -0.594 30 20 DBED C=CCOCC(=O)N1CCC[C@H]2CN(C(=O)CC(N)=O)C[C@H]21 1056629817 VTHICUDPZGLTFI-NWDGAFQWSA-N 309.366 -0.486 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)C[C@@H]1CCCO1 1057070178 WIFXPSLUKBCGFM-ZDUSSCGKSA-N 314.382 -0.305 30 20 DBED CO[C@@H](C)C(=O)N(CCO)CCNC(=O)c1cc(C#N)c[nH]1 1057112958 VEZQWJQTVRYDSE-JTQLQIEISA-N 308.338 -0.528 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)c1ncccc1O 1057517297 OWENWZXOFJLNJU-UHFFFAOYSA-N 319.361 -0.003 30 20 DBED C[C@@H]1OCC[C@H]1C(=O)NCCN(CCO)C(=O)C#CC1CC1 1057533465 OYADWGNZKIIUPH-GXTWGEPZSA-N 308.378 -0.238 30 20 DBED N#Cc1cnc(N2CC[C@H](NC(=O)[C@H]3CCNC(=O)C3)C2)cn1 1058335828 GKMRPXCJTPXFDX-QWRGUYRKSA-N 314.349 -0.431 30 20 DBED N#Cc1ccc(N2CC[C@@H](NC(=O)C[C@H]3CCC(=O)N3)C2)nn1 1058396891 XDIBJCBTFFGNOC-ZYHUDNBSSA-N 314.349 -0.288 30 20 DBED C=C(C)C[C@H](C)C(=O)NCCN(CCO)C(=O)c1nnn(C)n1 1058421879 KVVWZEQNGAGFIN-NSHDSACASA-N 324.385 -0.637 30 20 DBED C=CCCCC(=O)N(CCO)CCNC(=O)CS(C)(=O)=O 1058621794 QXSFEMOESLPIMB-UHFFFAOYSA-N 320.411 -0.676 30 20 DBED N#Cc1nccnc1N[C@H]1C[C@@H](NC(=O)[C@@H]2COC(=O)N2)C1 1059625427 XTYCYVAQMHIBEW-XKSSXDPKSA-N 302.294 -0.484 30 20 DBED N#Cc1ccc(N[C@@H]2CC[C@@H]3CN(C(=O)C(N)=O)C[C@H]32)nn1 1060552991 MLTXFZGBESETFK-FBIMIBRVSA-N 300.322 -0.518 30 20 DBED Cn1nnc(C(=O)NC[C@@H]2CCCN2c2ncccc2C#N)n1 1061427720 JZCHJNKUQMSINS-NSHDSACASA-N 312.337 -0.124 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@H]1COCCN1C(=O)c1cn[nH]c1 1061543891 WUDAYIWMJVOQHQ-WFASDCNBSA-N 322.365 -0.306 30 20 DBED CN1CCC[C@@H]1C(=O)N1CCOC[C@@H]1CNC(=O)C#CC1CC1 1061569676 JNZLAYLKXXHKBI-LSDHHAIUSA-N 319.405 -0.162 30 20 DBED C=CCOCC(=O)NCC1(NC(=O)[C@H]2CCCNC2=O)CCC1 1062703649 KSQFAFSIVPAWMK-LBPRGKRZSA-N 323.393 -0.130 30 20 DBED N#Cc1ccc(NC[C@@H]2CCCC[C@H]2NC(=O)C(N)=O)nn1 1064189839 UPJHSRYQNGUNFH-GXSJLCMTSA-N 302.338 -0.080 30 20 DBED N#Cc1ccc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)Cn2cccn2)nn1 1064216964 MGTFZFHPXZRCGS-GMXABZIVSA-N 309.333 -0.062 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)[C@@H]2CN(C)CCO2)CCC1 1064301990 BFOCYDOYUNBWKZ-RYUDHWBXSA-N 308.382 -0.368 30 20 DBED N#Cc1ccc(N2CC[C@H]3CC[C@@H](C2)N3C(=O)C(N)=O)nn1 1064485813 JGBKEMBDMCINSH-MNOVXSKESA-N 300.322 -0.597 30 20 DBED C=CCCC(=O)N1CCO[C@H](CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 1064961765 QHLLQMSIEYGRJY-UTUOFQBUSA-N 309.366 -0.582 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)C2=CCOCC2)CCO1 1065075961 SXJBCGILVNZGRB-CQSZACIVSA-N 324.377 -0.121 30 20 DBED C=CC(C)(C)C(=O)NC[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)CCO1 1065541873 ZKGOKRCAVJEHNF-MNOVXSKESA-N 324.381 -0.776 30 20 DBED C=CCOCC(=O)N[C@H]1CCCN(C(=O)Cn2ncnn2)CC1 1065987642 RJHIEWQRKRCLKT-LBPRGKRZSA-N 322.369 -0.627 30 20 DBED C#CCCCC(=O)NCC1(NC(=O)CC(N)=O)CCOCC1 1070047002 ADDIGUIZQLCWQN-UHFFFAOYSA-N 309.366 -0.553 30 20 DBED N#CCN[C@@H]1CN(C(=O)c2csc(O)n2)C[C@@H]1n1ccnn1 1070255286 UHONTGMKFVGOEJ-SCZZXKLOSA-N 319.350 -0.381 30 20 DBED C#CCN1CCOC[C@H]1c1n[nH]c(CNC(=O)c2ncc[nH]2)n1 1070584573 AYTUZCWGQMXQGN-JTQLQIEISA-N 315.337 -0.536 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)CCn2cccn2)CC1 1070940467 HSRHPNWIWOZSPF-UHFFFAOYSA-N 317.393 -0.443 30 20 DBED CCS(=O)(=O)CC(=O)N[C@@H]1CCCN(C(=O)[C@@H](C)C#N)C1 1071228995 FHAFVYRQGILFJH-WDEREUQCSA-N 315.395 -0.312 30 20 DBED C=CCOCC(=O)N1C[C@@H](C)[C@@H](NC(=O)c2cnn(C)c2N)C1 1071809029 OYTQZCVQWHLASH-PWSUYJOCSA-N 321.381 -0.218 30 20 DBED C[C@H]1CN(C(=O)C2(NC(N)=O)CC2)C[C@H]1NC(=O)C#CC1CC1 1071926115 SMSKYYMTWJJRCG-CMPLNLGQSA-N 318.377 -0.436 30 20 DBED N#CCN1CCCO[C@H](CNC(=O)c2nc3ncccn3n2)C1 1073824147 OGKDGNLAUKQYCU-LLVKDONJSA-N 315.337 -0.531 30 20 DBED C=CCOCCCC(=O)N[C@@H](C)CCNC(=O)Cn1cnnn1 1075561103 RIRCKYKWIXXBIT-LBPRGKRZSA-N 324.385 -0.333 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)C[C@@H]1CCCO1 1076217707 FBZXBYTZSLQUSZ-STQMWFEESA-N 323.393 -0.294 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)[C@H]1CCCCO1 1076219257 ZVYNQGWEZGRRFN-QWHCGFSZSA-N 323.393 -0.294 30 20 DBED C=C(C)CCC(=O)NCC[C@H](C)NC(=O)CS(=O)(=O)NC 1076797523 MWOMEQAAFIAEHP-NSHDSACASA-N 319.427 -0.097 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3cnc(C)n3C2)C1 1077583880 QRTCFMCQTNYQBS-NWANDNLSSA-N 302.378 -0.452 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN(Cc3nnnn3C)C[C@H]2O)C1 1077641784 HLXVYLXWSMYXCH-GHMZBOCLSA-N 306.370 -0.772 30 20 DBED COC[C@H](OC)C(=O)NCC[C@H](C)NC(=O)CSCC#N 1078259175 YSQXOOCRPYMIKO-QWRGUYRKSA-N 317.411 -0.084 30 20 DBED C#CCN[C@@H]1C[C@@H](NC(=O)CN2CCOCC2=O)C12CCC2 1078648435 ZRDMIDRSVLLJDX-CHWSQXEVSA-N 305.378 -0.505 30 20 DBED C#CCN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)Cn1ncn(C)c1=O)C2 1078980991 DUFOOKZDLQDOMJ-JHJVBQTASA-N 303.366 -0.816 30 20 DBED C#CCCN1CCC2(CC1)CN(C(=O)CC(N)=O)[C@@H]1COC[C@@H]12 1079229729 NGDPUGMMBIZQDW-UONOGXRCSA-N 319.405 -0.176 30 20 DBED C#CCOCCC(=O)N(CC)C1CN(C(=O)CN(C)C(C)=O)C1 1079772407 RRTGYYLLEYCGQZ-UHFFFAOYSA-N 323.393 -0.436 30 20 DBED C#CCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)CCNC(N)=O)C1 1079777155 URBYXMVWQJKFOQ-NSHDSACASA-N 324.381 -0.858 30 20 DBED C=CC(C)(C)C(=O)N1CC(N(CC)C(=O)Cn2ncnn2)C1 1079830647 OLTLRMSNDJVJQM-UHFFFAOYSA-N 306.370 -0.055 30 20 DBED C=CCCC(=O)NC1(CO)CCN(C(=O)c2cnnn2C)CC1 1080766686 CCGSFACNARCYCI-UHFFFAOYSA-N 321.381 -0.135 30 20 DBED C=CCn1cc(C(=O)NC2(CO)CCN(C(=O)CC)CC2)nn1 1080864795 CVGZDXKKYDPMTM-UHFFFAOYSA-N 321.381 -0.043 30 20 DBED C#CCCCC(=O)N1CCC(CO)(NC(=O)c2cnon2)CC1 1080961474 KZMFEUMGVKICDC-UHFFFAOYSA-N 320.349 -0.044 30 20 DBED C=CCN1CC[C@H](N2C[C@@H](NC(=O)C3CC3)[C@H](OC)C2)C1=O 1081257819 TXKKRCIYZXNGBC-HZSPNIEDSA-N 307.394 -0.001 30 20 DBED C#CCCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2ccnn2C)C1 1081320818 IEHMCTJVRZFIFA-TZMCWYRMSA-N 318.377 -0.227 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)c2cncn2C)C[C@H]1O 1081444991 PNVKQGNFMGDWSI-GXTWGEPZSA-N 318.377 -0.227 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(C(=O)c2cn[nH]c2)C[C@H]1O 1081468617 MDAQFHSNIZIHMX-CHWSQXEVSA-N 302.334 -0.628 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H]2CN(Cc3cn(C)nn3)C[C@@H]21 1083027048 XODPSBQNPMPASL-KGYLQXTDSA-N 304.354 -0.614 30 20 DBED Cc1cc(C)n2ncc(C(=O)N[C@@H]3CN(CC#N)C[C@@H]3O)c2n1 1083690905 PRBZJYGHHDZPMV-OLZOCXBDSA-N 314.349 -0.355 30 20 DBED CCO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1CNCc1cnnn1C 1087036118 ZAESFEHKZMOFJJ-OUCADQQQSA-N 320.397 -0.072 30 20 DBED CC#CCN1CC[C@H](NC(=O)Cn2nc(C)n(C)c2=O)[C@H]1CC 1087815261 BXNJMQFYKGKBRO-UONOGXRCSA-N 319.409 -0.117 30 20 DBED C#CCCN1CC[C@H](NC(=O)C(=O)N2CCC(C)CC2)[C@@H](O)C1 1090628771 CEDQZNPTSLBMQD-GJZGRUSLSA-N 321.421 -0.180 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2ccnc(NC(C)=O)c2)[C@H](O)C1 1090657669 FXQVQCDRZJQDMH-ZIAGYGMSSA-N 316.361 -0.162 30 20 DBED Cc1nn2cccnc2c1C(=O)N[C@H]1CCN(CC#N)C[C@H]1O 1090819453 BGEYVSFWZQJVJA-NWDGAFQWSA-N 314.349 -0.274 30 20 DBED N#Cc1c[nH]c(C(=O)NCC2CC(N[C@@H]3CCNC3=O)C2)c1 1090970163 MXMHOKQVACQVQO-QEWOUOOISA-N 301.350 -0.127 30 20 DBED CC[C@H](C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@@H]1O)N(C)C 1091122772 DXBLEVRYFSTJKB-UPJWGTAASA-N 318.381 -0.646 30 20 DBED CN(C)CCCC(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@@H]1O 1091175847 VKFMTZVNNHUIBT-KGLIPLIRSA-N 317.393 -0.039 30 20 DBED CC1(C)CC[C@@H](CNC(=O)C(N)=O)N(c2cncc(C#N)n2)C1 1092121834 RHFFUYXYIJPEGI-NSHDSACASA-N 316.365 -0.055 30 20 DBED C#CCN1C[C@@H]2CN(C(=O)CC[C@H]3NC(=O)NC3=O)C[C@]2(C)C1 1092259925 XLSIXFMKUGNRGY-HSMVNMDESA-N 318.377 -0.612 30 20 DBED CC(=O)NCC(=O)N1C[C@@H](C)[C@H](CNc2cncc(C#N)n2)C1 1092628594 FNLGMRCWIMQKOQ-ZYHUDNBSSA-N 316.365 -0.009 30 20 DBED N#Cc1c[nH]ccc1=NCCNC(=O)CN1C(=O)CCC1=O 1093625764 NVUMKHUSKLXBMS-UHFFFAOYSA-N 301.306 -0.948 30 20 DBED C[C@H]1C[C@H](C(=O)NCCNc2nccnc2C#N)CC(=O)N1 1093982401 FFSHSQZTRXRBRF-UWVGGRQHSA-N 302.338 -0.209 30 20 DBED CO[C@H](C(=O)NCCNc1nccnc1C#N)[C@@H]1CCOC1 1094011726 PYVGBMSQZNTLLC-PWSUYJOCSA-N 305.338 -0.072 30 20 DBED Cc1cnc(C(=O)NCc2cn(C3CN(CC#N)C3)nn2)cn1 1094272828 DRLPEQIEKMXYRA-UHFFFAOYSA-N 312.337 -0.313 30 20 DBED C=CCN1CC(n2cc(CNC(=O)c3cnnn3CC)nn2)C1 1094288778 VQWOUDFPIMTPFU-UHFFFAOYSA-N 316.369 -0.138 30 20 DBED COc1cc(C(=O)N[C@H]2CC(=O)N(C3CN(CC#N)C3)C2)on1 1094726926 DWWAQXYVJBPCQR-VIFPVBQESA-N 319.321 -0.778 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)[C@@H]3CCN(C)[C@@H]3C)CC2=O)C1 1094739313 XOMLBCFXHUWUTO-UMVBOHGHSA-N 318.421 -0.639 30 20 DBED Cc1cc(C#N)nc(N[C@@H]2CCN(C(=O)CCNC(N)=O)C2)n1 1095035168 PTJYSXJLCJWVFG-SNVBAGLBSA-N 317.353 -0.272 30 20 DBED CS(=O)(=O)CC(=O)NC1CCN(c2cnc(C#N)cn2)CC1 1095405766 YDUGJKPWGODKSV-UHFFFAOYSA-N 323.378 -0.522 30 20 DBED CN(CCCNC(=O)CNC(=O)C1CC1)c1nccnc1C#N 1095475420 HDIUEHPEJIQKJT-UHFFFAOYSA-N 316.365 -0.183 30 20 DBED Cc1nsc(N(C)CCCNC(=O)Cn2cnnn2)c1C#N 1095485486 YHMCXXWFYYDGSL-UHFFFAOYSA-N 320.382 -0.048 30 20 DBED N#Cc1cnc(NC2CCC(NC(=O)CNC(N)=O)CC2)cn1 1097611898 FRYIORLGYUNDQQ-UHFFFAOYSA-N 317.353 -0.144 30 20 DBED Cc1ccc(C#N)c(N[C@@H](C)CNC(=O)[C@@H]2CNC(=O)N2)n1 1098250095 HCQZZOWZCVCPMQ-ONGXEEELSA-N 302.338 -0.140 30 20 DBED C#CCNC(=O)CN(CCO)C1CCN(C(=O)C2(C)CC2)CC1 1098371612 ADSVSENJIMGYGW-UHFFFAOYSA-N 321.421 -0.179 30 20 DBED CNC(=O)CC(=O)N1CC[C@@H](CNc2nccnc2C#N)C1 1098521475 DZFLNSYPRPNKJK-JTQLQIEISA-N 302.338 -0.255 30 20 DBED C=CCNCc1cn([C@H]2CCN(C(=O)[C@H](C)NC(C)=O)C2)nn1 1098608249 QYIUEXCFIOQOKZ-FZMZJTMJSA-N 320.397 -0.148 30 20 DBED C=CCNCc1cn([C@H]2CCN(C(=O)CC(=O)NCC)C2)nn1 1098661862 STRGWBOVZCFJFB-ZDUSSCGKSA-N 320.397 -0.147 30 20 DBED CC/C=C(/C)C(=O)N[C@@H]1CCN(CC(=O)NCC#N)C[C@@H]1O 1099720651 HOEKCRJWHNONTG-GKADRNHJSA-N 308.382 -0.466 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCN(CC2CCCC2)C[C@H]1O 1099789515 NSCGHUWBSYAOFE-HUUCEWRRSA-N 321.421 -0.133 30 20 DBED O=C(C#CC1CC1)N[C@H]1CCN(CCNC(=O)C2CC2)C[C@H]1O 1099826247 IJTIHFNCZNOOMO-LSDHHAIUSA-N 319.405 -0.523 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)c2nccc(C)n2)C1 1100287270 JUCHCLVQLGTQMT-UHFFFAOYSA-N 315.377 -0.368 30 20 DBED CN(CCNC(=O)[C@@]1(C)CCNC(=O)C1)c1ccnc(C#N)n1 1100398450 IAYZZYVSJUFBRI-HNNXBMFYSA-N 316.365 -0.183 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)C12CCN(CC1)C2 1101697127 WVRSCETVIPYJSR-UHFFFAOYSA-N 300.366 -0.264 30 20 DBED CCc1nc(C#N)cc(NCCN(C)C(=O)Cn2ncnn2)n1 1101800791 YFHVHKBHXQAXGJ-UHFFFAOYSA-N 315.341 -0.532 30 20 DBED C[C@@H](CN=c1cc[nH]cc1C#N)CNC(=O)[C@@H]1COC(=O)N1 1103944983 IAEWZORLIATIJG-CABZTGNLSA-N 303.322 -0.352 30 20 DBED Cc1nonc1CC(=O)NC[C@@H](C)CN=c1cc[nH]c(C#N)n1 1104067410 NTXCWOGNPVAWKB-VIFPVBQESA-N 315.337 -0.132 30 20 DBED CNC(=O)C1(C(=O)N(C)[C@H](C)CN=c2cc[nH]c(C#N)n2)CC1 1104610158 KFNLVZMNEWCVIC-SNVBAGLBSA-N 316.365 -0.445 30 20 DBED COCC#CCNCC[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1C 1104686737 NANRCOCFFHOXIK-TUVASFSCSA-N 321.421 -0.168 30 20 DBED N#CCNCc1cn(C2CN(C(=O)C[C@@H]3CCCO3)C2)nn1 1105172031 YIZJMECMLNISDV-ZDUSSCGKSA-N 304.354 -0.156 30 20 DBED CC(C)[C@H](CNC(=O)c1nnn(C)n1)Nc1cncc(C#N)n1 1105266638 PYPGERCHTKCZMJ-JTQLQIEISA-N 315.341 -0.262 30 20 DBED COCCCOCC(=O)NC[C@@H](O)CNc1ccc(C#N)nc1 1105959721 QQCGCXOYOYHPQY-AWEZNQCLSA-N 322.365 -0.105 30 20 DBED C#CCOCCC(=O)NC[C@@H](O)CNc1ccc(C#N)cn1 1105970565 JSHBFKYORQUHCY-ZDUSSCGKSA-N 302.334 -0.118 30 20 DBED CNC(=O)CCCCC(=O)N[C@H](C)CN=c1cc[nH]c(C#N)n1 1107814664 PGUKPOLRDRKRIQ-LLVKDONJSA-N 318.381 -0.007 30 20 DBED CC#CCN1CCO[C@@](C)(CNC(=O)c2nccnc2N)C1 1107827105 IACRVBCUJUAKEQ-HNNXBMFYSA-N 303.366 -0.097 30 20 DBED CS(=O)(=O)CC(=O)N[C@@H](CNc1cnc(C#N)cn1)C1CC1 1109768911 QYAHLMOMOYALCS-NSHDSACASA-N 323.378 -0.300 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H](NC(=O)Cn1cncn1)C1CC1 1109848763 RIHLPNCXNFTOEO-CQSZACIVSA-N 311.349 -0.026 30 20 DBED N#Cc1nccnc1NC1(CNC(=O)[C@@H]2CC[C@H]2C(N)=O)CC1 1110299814 HPMKZNZSGBOXKX-NXEZZACHSA-N 314.349 -0.080 30 20 DBED CN(C)C(=O)CC(=O)N[C@]1(C)CCN(c2ccc(C#N)nn2)C1 1110817726 JJLYEBASYMDHAF-OAHLLOKOSA-N 316.365 -0.088 30 20 DBED COCCC(=O)N(C)[C@H]1CN(c2nccnc2C#N)C[C@@H]1O 1111167987 VTCCYQLLFYCESC-RYUDHWBXSA-N 305.338 -0.607 30 20 DBED N#CCNC(=O)CN1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCCO2)C1 1111574807 UIBCORSMQKGXGC-ZENOOKHLSA-N 320.393 -0.224 30 20 DBED CN(C)CCC(=O)N1CCO[C@H](CN=c2cc[nH]c(C#N)n2)C1 1111962052 NKDVNCLBHIOHKE-GFCCVEGCSA-N 318.381 -0.639 30 20 DBED C#CCNC[C@]12CCC[C@H]1CN(C(=O)C1CC(=O)NC(=O)C1)C2 1112545274 ZEXKEZJALSXMEJ-GUYCJALGSA-N 317.389 -0.109 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)c2cnnc(O)c2)CC1 1112991098 FBSSUSXGSQETDW-NSHDSACASA-N 317.349 -0.922 30 20 DBED C[C@H](C#N)C(=O)NC1[C@H]2CN(Cc3ncnn3CCF)C[C@H]12 1114066336 BMMUOJPMLNBEMO-VWYCJHECSA-N 306.345 -0.046 30 20 DBED N#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@@H]3C[C@@H]4C[C@@H]4C3)[C@H]2C1 1114721361 NRPIPAMMJOGDLC-KYDAPPJTSA-N 302.378 -0.281 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)c3n[nH]cc3F)[C@@H]2C1 1114787695 XIRKBGJEFPGXLD-RKDXNWHRSA-N 307.329 -0.489 30 20 DBED C[C@]1(C(=O)NC2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]23)CCCOC1 1115022610 DSLBYSUGBXXHPO-HSMVNMDESA-N 320.393 -0.511 30 20 DBED C[C@H](CCCN=c1cc[nH]c(C#N)n1)NC(=O)[C@@H]1CCNC1=O 1115050588 QQPLVOFUHHCISY-GHMZBOCLSA-N 316.365 -0.397 30 20 DBED C#CCN1C[C@H]2[C@H](NC(=O)CNC(=O)c3cscn3)[C@H]2C1 1115083726 QGGDLOYASDMTNR-IWIIMEHWSA-N 304.375 -0.448 30 20 DBED CC(=O)NC(C)(C)C(=O)N(C)C[C@@H](C)N=c1cc[nH]c(C#N)n1 1115784246 PZNPOZRMTTXGBP-SNVBAGLBSA-N 318.381 -0.056 30 20 DBED CC(CO)(CO)NC(=O)C(=O)Nc1ccc(OCC#N)cc1 1118310352 QUMZODBXJOVMRV-UHFFFAOYSA-N 307.306 -0.613 30 20 DBED Cc1cc(=N[C@@H](CO)CNC(=O)C2=COCCO2)c(C#N)c[nH]1 1121010999 SFFLYEMZNICKEZ-GFCCVEGCSA-N 318.333 -0.539 30 20 DBED N#Cc1nc(=N[C@H](CO)CNC(=O)c2cncs2)cc[nH]1 1121119848 LAICSHPCNFHJFC-QMMMGPOBSA-N 304.335 -0.571 30 20 DBED Cc1nn(C)cc1C(=O)NC[C@@H](CO)Nc1ccc(C#N)nn1 1121212415 GERYHDIKJXQCJV-NSHDSACASA-N 315.337 -0.407 30 20 DBED Cn1cncc1CC(=O)NC[C@@H](CO)Nc1ccc(C#N)cn1 1121799298 DJZVKYHDVKIWJT-LBPRGKRZSA-N 314.349 -0.182 30 20 DBED CN1CC[C@@H](CC(=O)NC[C@@H](CO)Nc2ccc(C#N)nn2)C1 1121806443 LUGZYCOATGFKOI-AAEUAGOBSA-N 318.381 -0.421 30 20 DBED Cc1nonc1CC(=O)NC[C@@H](CO)N=c1cc[nH]cc1C#N 1121955841 BEKQECRRRLJGPV-NSHDSACASA-N 316.321 -0.802 30 20 DBED N#Cc1nc(=N[C@@H](CO)CNC(=O)c2ccns2)cc[nH]1 1122122071 UONDVAHCPRPSKG-MRVPVSSYSA-N 304.335 -0.571 30 20 DBED Cc1cc(C#N)nc(N[C@@H](CO)CNC(=O)c2[nH]nnc2C)n1 1122384924 GVMUSSYOJHCWJF-SNVBAGLBSA-N 316.325 -0.714 30 20 DBED Cn1cc(C(=O)OCCOCCOCCC#N)c(O)nc1=O 1123099012 WNEYPCVWEWKWTJ-UHFFFAOYSA-N 311.294 -0.410 30 20 DBED N#Cc1nccnc1NC[C@@H]1CC[C@@H](NC(=O)CC(N)=O)C1 1123751155 GHRKXTYFOZRCBM-NXEZZACHSA-N 302.338 -0.080 30 20 DBED CN(C[C@H](O)CNc1nccnc1C#N)C(=O)c1cnnn1C 1124273194 ZLGFGCIQIDUCQY-SECBINFHSA-N 316.325 -0.978 30 20 DBED C#CCNC(=O)CC(=O)N(C)C[C@H](O)CNc1cccc(F)n1 1124314735 LALMNKRCZIFTPO-LLVKDONJSA-N 322.340 -0.409 30 20 DBED C=CCCO[C@@H](C)C(=O)NCCNCCN(C)S(C)(=O)=O 1124489356 YLOZQTJWQMONCG-LBPRGKRZSA-N 321.443 -0.435 30 20 DBED Cc1cc(=NC[C@H](O)CN(C)C(=O)c2cnn[nH]2)c(C#N)c[nH]1 1124897505 SZPXYRDTDVWDDQ-NSHDSACASA-N 315.337 -0.653 30 20 DBED COCCN(CCNC(=O)c1cnn[nH]1)c1nccnc1C#N 1126561110 CDESHKSNFJLORI-UHFFFAOYSA-N 316.325 -0.651 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)C1(C(F)F)CC1 1127218736 CQAMCCSXJMJDGU-UHFFFAOYSA-N 318.324 -0.251 30 20 DBED CC(C)(C)OCC(=O)N1C[C@H](n2ccnn2)[C@H](NCC#N)C1 1129778155 OWLIAPLGMAFURF-NEPJUHHUSA-N 306.370 -0.042 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)COCc1ccnn1C 1130122120 KZUNAVFVCVLVKO-LBPRGKRZSA-N 323.397 -0.667 30 20 DBED C#CCN1CC[C@H](c2n[nH]cc2CNC(=O)[C@H](C)NC(C)=O)C1 1130342540 LSQDFBBEDQSDKS-AAEUAGOBSA-N 317.393 -0.027 30 20 DBED C#CCN1CCOC[C@@H]1c1n[nH]c(CNC(=O)COCCC)n1 1130836064 WUTGFSKFTXKWLB-GFCCVEGCSA-N 321.381 -0.146 30 20 DBED C#CCOCCC(=O)N[C@H]1CC[C@@H](C)N(CC(=O)NC(N)=O)C1 1132029273 JVXNWZSNURRVFR-NEPJUHHUSA-N 324.381 -0.810 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1noc2c1CCCC2 1134267080 AYMYYDGUYXDDOP-UHFFFAOYSA-N 305.338 -0.487 30 20 DBED C#Cc1ccc(C(=O)NCCNC[C@@H](O)Cn2cccn2)cn1 1148389955 WYZNPTAQOYWQMN-OAHLLOKOSA-N 313.361 -0.360 30 20 DBED C#CCNC(=O)CN1CCCO[C@H](CNC(=O)C(C)(C)F)C1 1149030602 XQIOKMRUCWHIEJ-GFCCVEGCSA-N 313.373 -0.309 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)CN1CCCCCC1=O 1150387044 FPLXTFOIPUOYBC-ZDUSSCGKSA-N 324.425 -0.215 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)[C@H](C)N2CCOCC2)C1 1150831326 LRZHDDIRLRBFMH-GJZGRUSLSA-N 309.410 -0.453 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)Cc1cnn(C)c1 1155563490 ARUBKUJBXKTSGL-GFCCVEGCSA-N 305.382 -0.804 30 20 DBED C=CCOCC(=O)NCCCNCC(=O)NC(=O)NC1CC1 1155731759 HYAVAAYYOZIZEM-UHFFFAOYSA-N 312.370 -0.727 30 20 DBED C=CCNC(=O)CNCCCNC(=O)c1c(C)nnn1CC 1159784395 GRFWBMRUNDWOLI-UHFFFAOYSA-N 308.386 -0.382 30 20 DBED COCC1(CNC(=O)CS(C)(=O)=O)CCN(CC#N)CC1 1162146357 YHCYRSVRRYCFNY-UHFFFAOYSA-N 317.411 -0.601 30 20 DBED N#CCNC(=O)CNCCCNC(=O)c1cnc2cccnn12 1167789089 UAGASIGIILUOHB-UHFFFAOYSA-N 315.337 -0.921 30 20 DBED C[C@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)[C@H]1CCCCO1 1178468229 YADJHTFVIIBSOC-RWMBFGLXSA-N 308.382 -0.226 30 20 DBED COc1cc(C(=O)N2CC[C@H](NCC(=O)NCC#N)[C@@H]2C)on1 1178508869 ZXNYRQQRPYWTAZ-UWVGGRQHSA-N 321.337 -0.484 30 20 DBED C#CCNCCCCCCNC(=O)Cn1ccc(=O)n(C)c1=O 1178634620 ZRCOILJUCFJUKG-UHFFFAOYSA-N 320.393 -0.554 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)Cc2cc(C)on2)C1 1181708842 GPXRAVVYTWZYPF-CHWSQXEVSA-N 318.377 -0.146 30 20 DBED C#CCOCCC(=O)N1CC[C@H]2CN(CC(=O)N3CCC3)C[C@H]21 1187864881 FWCPGZHQYBCXRN-LSDHHAIUSA-N 319.405 -0.209 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](N(C)CC(=O)NC2CCOCC2)C1 1189390705 TYFLOWGSXPRNQB-OCCSQVGLSA-N 322.409 -0.026 30 20 DBED Cc1cnoc1C(=O)N1CC[C@H]2CN(CC(=O)NCC#N)C[C@H]21 1189627940 DBBAFQWYDHBXRZ-NWDGAFQWSA-N 317.349 -0.231 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](N(C)Cc2cnon2)C1 1189761439 ZOYCFCKQUZMDNU-GFCCVEGCSA-N 305.338 -0.758 30 20 DBED C#CCOCCC(=O)N1CC[C@H](N(C)CC(=O)NCC=C)C1 1190121844 TZTJBLWHTQARAS-AWEZNQCLSA-N 307.394 -0.139 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2cnnc(O)c2)C1 1190799917 GFOVJIDOASEOOX-LBPRGKRZSA-N 317.349 -0.922 30 20 DBED CC#CCN(C)[C@@H]1CCN(C(=O)CN2CCN(C)C(=O)C2)C1 1191028482 BDZRBZLZTGXRMM-CQSZACIVSA-N 306.410 -0.684 30 20 DBED C=C(C)CN(CC)C(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)C#N)C1 1191863531 GDAWDSMNCZWVAH-BFHYXJOUSA-N 322.409 -0.268 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)C[C@H](C)N2CCCCC2=O)C1 1192944925 VOHTZNFKDJBRLF-RRFJBIMHSA-N 321.421 -0.038 30 20 DBED C[C@@H]1OCC[C@H]1C(=O)N1CCCN(CC(=O)NCC#N)CC1 1197554510 JBGBCRKBWYPNKT-QWHCGFSZSA-N 308.382 -0.415 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)[C@H](CC)N(C)C)CC1 1202531228 CYJCQSUEVZVMEI-AWEZNQCLSA-N 308.426 -0.343 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC[C@H](NCC(N)=O)C1 1209982763 POLIVSQRSNQWCM-STQMWFEESA-N 310.398 -0.477 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2nocc2C)[C@H](C)C1 1210025603 LQNBYPJDHPGIPR-ZYHUDNBSSA-N 304.350 -0.217 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)COCCC=C)C1 1211354649 CKCZODJRNYOLPW-AWEZNQCLSA-N 307.394 -0.091 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2ccccc2)[C@H](OC)C1 1211768402 CAGKALKEBICNFN-HUUCEWRRSA-N 315.373 -0.135 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2cnon2)C[C@H]1OC 1212258191 OUIDSAVEORHAEC-CYZMBNFOSA-N 308.338 -0.577 30 20 DBED C#CCCN[C@@H]1CN(C(=O)[C@@H]2CCN(C)S2(=O)=O)C[C@H]1C 1215864946 CNVRSJGHOZQGMT-UPJWGTAASA-N 313.423 -0.520 30 20 DBED C=CCCC(=O)N[C@@H]1CN([C@@H]2CCN(CC=C)C2=O)C[C@@H]1O 1219344441 KQGDPELCDICGDP-MCIONIFRSA-N 307.394 -0.099 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(Cc2cnc(C)o2)C[C@@H]1O 1219536573 ULFCHHXCNVBWCI-IPYPFGDCSA-N 309.366 -0.029 30 20 DBED COc1ccc(CN2C[C@H](O)[C@H](NC(=O)C#CC3CC3)C2)nn1 1219591433 DJBWWECJTRQNFB-KGLIPLIRSA-N 316.361 -0.440 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)CCNC(=O)C2CCC2)C1 1220530535 WKQQQSPLMMEIAN-KGLIPLIRSA-N 307.394 -0.523 30 20 DBED C=CCN1CC[C@H](N2CCC(CNC(=O)CC(N)=O)CC2)C1=O 1222695438 NCUYCPCJIBQZLL-ZDUSSCGKSA-N 322.409 -0.523 30 20 DBED C[C@@H](NS(C)(=O)=O)C(=O)N1CC[C@H]2CCN(CC#N)[C@H]2C1 1223572519 KGFCLZLIQRVCON-UTUOFQBUSA-N 314.411 -0.630 30 20 DBED C=CCNC(=O)NC(=O)CN1CCC(NC(=O)[C@H](C)C#N)CC1 1226624975 GCPNLYCSWWQWLB-LLVKDONJSA-N 321.381 -0.262 30 20 DBED C#CCNC(=O)CC(=O)NC1CCN(CC(=O)NCC=C)CC1 1226961521 GMNKBONZCPLOQO-UHFFFAOYSA-N 320.393 -0.991 30 20 DBED C#CCO[C@H](C)C(=O)NC1CCN([C@@H]2CCCNC2=O)CC1 1227342194 KEUSDCMDBKLRKV-TZMCWYRMSA-N 307.394 -0.116 30 20 DBED C=C(C)CCN1CCC(NC(=O)CNS(=O)(=O)NC)CC1 1228456992 ILFFOLLCYDPLQF-UHFFFAOYSA-N 318.443 -0.413 30 20 DBED C=CCNC(=O)CN1CC[C@H]1CN(C)C(=O)[C@@H](C)NC(C)=O 1230658668 DMBSUNZOUHNEPD-YPMHNXCESA-N 310.398 -0.654 30 20 DBED CN(C[C@@H]1CCN1CCN1C(=O)CNC1=O)C(=O)C#CC1CC1 1234195944 OEVOITWJSMSWRH-ZDUSSCGKSA-N 318.377 -0.516 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N1CC[C@H](S(C)(=O)=O)C1 1256620490 RHBQBZFEOLCYSZ-JTQLQIEISA-N 324.424 -0.584 30 20 DBED C#CCNC[C@H]1CCCCN1C(=O)CCn1cc[nH]c(=O)c1=O 1280455209 GWXNQPBXWJERGV-CYBMUJFWSA-N 318.377 -0.469 30 20 DBED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1cccc(C(=O)NC)c1 1321177871 DGQHQUKGGDYHTF-CYBMUJFWSA-N 317.345 -0.125 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N[C@@H]1CCOC[C@@H]1OCC 1323723730 KKCVLKWDNVPNBA-UTUOFQBUSA-N 300.355 -0.386 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N[C@@H]1CC(=O)N(C(C)(C)C)C1 1323767872 UYJIXXCLYNAZEZ-WDEREUQCSA-N 311.382 -0.181 30 20 DBED COCC#CCNC[C@H]1CCCN1C(=O)CCc1cnn(C)n1 1324226123 OWTHCSPBKYVTIX-OAHLLOKOSA-N 319.409 -0.022 30 20 DBED C=C[C@H]1CCCCN1C(=O)C(=O)N1CCO[C@@H](C(=O)NC)C1 1325908653 YLSIMAMNHLMODR-NWDGAFQWSA-N 309.366 -0.473 30 20 DBED CCCCN(C)CCNC(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1328273476 TVYBEAFHBYTMFX-HNNXBMFYSA-N 310.398 -0.288 30 20 DBED CN1CC(=O)N(CCCC(=O)N[C@H]2CCCN(O)C2=O)C1=O 1330502546 IBVMRDWXMFBQHR-VIFPVBQESA-N 312.326 -0.843 30 20 DBED CCS(=O)(=O)N(C)CCCNC(=O)C(=O)NCCCC#N 1340615330 GTNYBGSVXRGAFE-UHFFFAOYSA-N 318.399 -0.806 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)Nc1ccc(=O)n(C)c1 1351604950 LEJBRIFFMHEBMR-LLVKDONJSA-N 305.334 -0.132 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N2[C@H]3CC[C@H]2CNC3)CCN1C1CC1 1351853833 FXJDNUZXMNCRED-MELADBBJSA-N 317.393 -0.852 30 20 DBED CS(=O)(=O)N1CCN(C(=O)CNc2ccc(C#N)cn2)CC1 1361878630 SLMTVTZRXQFWLQ-UHFFFAOYSA-N 323.378 -0.531 30 20 DBED N#Cc1ccccc1N1CCN(C(=O)Cn2nnc(N)n2)CC1 1362108361 NBGMWFPOAIWPGK-UHFFFAOYSA-N 312.337 -0.524 30 20 DBED Cc1noc(C2CN(C(=O)Cn3cc(C#N)c(O)nc3=O)C2)n1 1362793825 RXXZXSHIAHUROL-UHFFFAOYSA-N 316.277 -0.862 30 20 DBED Cc1noc(CN(C)C(=O)CCn2cc(C#N)c(O)nc2=O)n1 1363712319 DBRPPGSGXKWEEO-UHFFFAOYSA-N 318.293 -0.439 30 20 DBED N#Cc1cn(CCNC(=O)CCn2cccn2)c(=O)nc1O 1364107452 IYWYRBKUVNEIER-UHFFFAOYSA-N 302.294 -0.776 30 20 DBED COC[C@@H](O)CN1CCO[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 1374124793 PQANSRQRLBTVAL-STQMWFEESA-N 322.365 -0.676 30 20 DBED C[C@H](CNC(=O)c1c[nH]c(C#N)c1)NC(=O)CCc1nc[nH]n1 1376835793 KVOXPBZFKHKLJM-SECBINFHSA-N 315.337 -0.128 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)CCNC(N)=O 1384308415 WFODYFGMMWDYOI-GMTAPVOTSA-N 309.370 -0.252 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@@H](CNC(=O)CO[C@H]2CCOC2)C1 1384479889 KNXYYFNOZJZCSE-RVMXOQNASA-N 309.366 -0.037 30 20 DBED N#Cc1cc(C(=O)N2C[C@H](O)[C@H](NC(=O)CCCF)C2)c[nH]1 1384825073 MBYVRWNKNHPLPS-NEPJUHHUSA-N 308.313 -0.062 30 20 DBED N#Cc1cccc(CNC[C@@H](O)CNC(=O)[C@@H]2CCC(=O)N2)c1 1392425326 WEAYQJXYZFTYRT-KGLIPLIRSA-N 316.361 -0.596 30 20 DBED CC(C)NC(=O)NCCN1CC(O)(CNC(=O)[C@H](C)C#N)C1 1393307811 ZBUVEHWJWJVBCF-LLVKDONJSA-N 311.386 -0.983 30 20 DBED CCCC[C@H](NC(N)=O)C(=O)NCC1CN(C(=O)[C@@H](C)C#N)C1 1398781927 HICVSUKMGXSVID-JQWIXIFHSA-N 323.397 -0.052 30 20 DBED C[C@H]1CSC[C@H]1NC(=O)NCCn1cc(C#N)c(O)nc1=O 1413813910 GALPSONYTRILHX-WCBMZHEXSA-N 323.378 -0.129 30 20 DBED C[C@@H](CN(C)C(=O)C(C)(C)S(C)(=O)=O)NC(=O)[C@@H](C)C#N 1427724156 ZNYNLHULIVOMSI-UWVGGRQHSA-N 317.411 -0.068 30 20 DBED COCc1cc(C(=O)NC[C@H](O)CNC(=O)[C@H](C)C#N)no1 1452363154 WSMDTWOXNRWUMB-RKDXNWHRSA-N 310.310 -0.812 30 20 DBED Cn1c(=O)[nH]c(N[C@@H](CO)Cc2ccccc2)c(C#N)c1=O 1458302184 BIZFFCQPHMLUDK-LLVKDONJSA-N 300.318 -0.039 30 20 DBED CCN(C)C(=O)CN1CCN(CCNC(=O)[C@H](C)C#N)CC1 1479927917 BOISFXPRHZMFMG-CYBMUJFWSA-N 309.414 -0.642 30 20 DBED C[C@H](CN(C)C(=O)CCn1cnccc1=O)NC(=O)[C@H](C)C#N 1510759092 YLMCXGNQLGAZBI-VXGBXAGGSA-N 319.365 -0.244 30 20 DBED CCc1noc(COCC(=O)NC2CN(C(=O)[C@@H](C)C#N)C2)n1 1530660356 PFCCHZUXZJRNNH-VIFPVBQESA-N 321.337 -0.365 30 20 DBED C[C@H](NC(N)=O)C(=O)N(C)CCN(C)C(=O)c1cc(C#N)c[nH]1 1532936702 JVMHPSCVTVZHOS-VIFPVBQESA-N 320.353 -0.526 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CCN(C[C@H](O)COC)C2)cn1 1567899505 VSVOHQBUKPLERE-CABCVRRESA-N 303.362 -0.126 30 20 DBED CC#CCNC[C@H](O)CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 1573358823 REISSEXDUPPGNF-NSHDSACASA-N 317.353 -0.759 30 20 DBED C=CCOCC(=O)NCC1[C@H]2CN(C(=O)CNC(=O)O)C[C@H]12 1573368845 KLYFVEXQXJZEGN-GHMZBOCLSA-N 311.338 -0.723 30 20 DBED C#CC[C@@]1(C(=O)N(C)Cc2nnc3n2CCNC3=O)CCCN1 1574503992 BKWRXPJZPPZNKW-HNNXBMFYSA-N 316.365 -0.875 30 20 DBED N#CCSCC(=O)N1CCCO[C@H](CNCc2cnn[nH]2)C1 1577710207 SAYYUPCDKHJNDW-GFCCVEGCSA-N 324.410 -0.231 30 20 DBED C#CCN(C(=O)c1cnc(C(=O)O)cn1)[C@H]1CCS(=O)(=O)C1 1588396459 ZIYIUMUWMYLKII-VIFPVBQESA-N 323.330 -0.563 30 20 DBED C#CCN1CCCN(C(=O)CN2CCC[C@@H](C(=O)O)C2=O)CC1 1588477574 VBODZNYBQVRWEW-CYBMUJFWSA-N 321.377 -0.523 30 20 DBED C#CCNC(=O)CNCC1(NC(=O)[C@@H]2C[C@@H]2C(=O)O)CCCC1 1588483560 ASFUXHFRJKPFHW-NEPJUHHUSA-N 321.377 -0.525 30 20 DBED C[C@@](C#N)(CC(=O)O)C(=O)N1CCO[C@H](Cn2ccnn2)C1 1588538540 KMSACSXLEMQWMT-GWCFXTLKSA-N 307.310 -0.490 30 20 DBED COC(=O)C1(C#N)CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 1591242923 SBVQETGANMJMMR-UHFFFAOYSA-N 314.309 -0.060 30 20 DBED C[C@H](C#N)CNC(=O)C(=O)Nc1cccc(-c2nn[nH]n2)n1 1602983512 KSOVJMLHZJLVRT-SSDOTTSWSA-N 300.282 -0.524 30 20 DBED N#C[C@H]1CN(C(=O)N[C@H]2CCCCN(CC(=O)O)C2=O)CCO1 1605582845 FYUAFNMDGPNUHR-QWRGUYRKSA-N 324.337 -0.614 30 20 DBED C=CCNC(=O)NC(=O)CN1CCc2[nH]nc(C(=O)O)c2C1 1609398811 KLHUEPQSUFQZIL-UHFFFAOYSA-N 307.310 -0.522 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N1CCN(C)C[C@H](C(=O)O)C1 1609725580 INCXUGAKZPVXLW-QWRGUYRKSA-N 318.399 -0.587 30 20 DBED COc1cccc(C(=O)N2CC[C@H](NCC(=O)NCC#N)C2)n1 1713150887 PUBAAFRATRAGNL-NSHDSACASA-N 317.349 -0.466 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2cnc(N(C)C)cn2)C1 1715004088 SACVNPLFPAWSRT-CYBMUJFWSA-N 317.393 -0.004 30 20 DBED C#CCNC(=O)CN(CCNC(=O)[C@H]1C[C@@H]1C(=O)OC)C1CC1 1753152859 PVFPASBKKFGNMJ-STQMWFEESA-N 321.377 -0.875 30 20 DBED C=C(C)CNC[C@H](O)CNC(=O)Cn1nnc2c1CCCC2 1753927454 KOWHIOQFBMBUOZ-LBPRGKRZSA-N 307.398 -0.200 30 20 DBED C#CCNC(=O)CN1C[C@H]2C[C@H]1[C@H]2NC(=O)c1nc(C)c[nH]1 1754428993 CEMSRSBMIVLVCI-MDZLAQPJSA-N 301.350 -0.730 30 20 DBED C#CCOCCC(=O)NC[C@H](C)N(C)[C@@H]1CCC(=O)NC1=O 1755299634 FPHRYRQWGOOAFO-NWDGAFQWSA-N 309.366 -0.732 30 20 DBED CC(=O)NC(C)(C)C(=O)N1CC[C@]2(CN(CC#N)CCO2)C1 1755400753 AKOZSKBUZZAQOQ-HNNXBMFYSA-N 308.382 -0.272 30 20 DBED C=CCOCCN1C[C@H]2[C@H](CNC(=O)Cn3cnnn3)[C@H]2C1 1755433872 REWPMDSECZSGBJ-XYYAHUGASA-N 306.370 -0.830 30 20 DBED C=CCNC(=O)CN[C@@H](C)CN(C)C(=O)[C@@]1(F)CCOC1 1755601648 NAOADNBYKPNXFZ-SMDDNHRTSA-N 301.362 -0.146 30 20 DBED C#CCCN[C@H](CO)CNC(=O)c1cn2c(n1)C[C@H](OC)CC2 1755631783 LGUMUHMQOJNPPA-QWHCGFSZSA-N 320.393 -0.452 30 20 DBED C=CCNC(=O)CN[C@@H](CO)CNC(=O)c1ccc(C)c(C)n1 1755632303 DQTQUOHEGMREIF-CYBMUJFWSA-N 320.393 -0.319 30 20 DBED C=C(C)CNC[C@@H](O)CN(C)C(=O)[C@@H]1CCc2nnnn2CC1 1755788697 YDXMWGRPZPYLHG-CHWSQXEVSA-N 322.413 -0.389 30 20 DBED C#CCNC(=O)CC(=O)N1CC([C@@H](C)NC(=O)C[C@H](C)OC)C1 1756130787 VHXPBINAYGGTCO-NWDGAFQWSA-N 323.393 -0.486 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C[C@H](C)NC(=O)CNC(=O)OC 1756453563 QDNDRAQHUIHKIR-WDEREUQCSA-N 313.354 -0.656 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H](CO)NC(=O)c1cnccc1C 1756521094 JQAKWVXWOVUJNK-STQMWFEESA-N 319.361 -0.365 30 20 DBED C=CCn1cc(C(=O)NC[C@H](O)CN(C)C(=O)C(F)F)nn1 1756651968 PKLKVWRPTPFRMF-QMMMGPOBSA-N 317.296 -0.722 30 20 DBED Cc1nnc(CC(=O)N2C[C@@H](O)[C@H](NC(=O)C#CC(C)C)C2)o1 1756994016 ZIHXEYATOHHDJM-VXGBXAGGSA-N 320.349 -0.732 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H]1CN(C)C(=O)c1cn[nH]c1 1757276345 MJQXIERRXWSWJE-LBPRGKRZSA-N 317.349 -0.778 30 20 DBED N#CCCN1CCN(C(=O)[C@@H]2CCc3nnc(O)n3C2)CC1 1772094998 FIZSRJRBSJSJMH-LLVKDONJSA-N 304.354 -0.396 30 20 DBED C[C@]1(C(=O)O)CN(S(=O)(=O)c2cc(C#N)ccn2)CCO1 1776509436 KWFXLEIZAUOFFM-GFCCVEGCSA-N 311.319 -0.183 30 20 DBED COC(=O)CCN(CC(=O)O)S(=O)(=O)CC1(C#N)CC1 1777104696 JRIDKPVJHCKEPX-UHFFFAOYSA-N 304.324 -0.430 30 20 DBED CO[C@@H]1C[C@@H](C(=O)O)CN(S(=O)(=O)N(C)C[C@@H](C)C#N)C1 1777158840 GYQVSNDLJQVWFH-HBNTYKKESA-N 319.383 -0.256 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)CC1(O)CCC1)CCO2 1783054147 SMIHOHXLOXQYBQ-MRXNPFEDSA-N 306.362 -0.245 30 20 DBED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)CC(N)=O)C[C@@H]21 1790789542 DLMMSJMUNHIZPD-CYDGBPFRSA-N 321.377 -0.889 30 20 DBED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(C)=O)C2 1802023872 ZCQRWTFWDRUKDK-YWVIFJGQSA-N 321.377 -0.875 30 20 DBED C#CCCC(=O)N1CC2(CCCN2C(=O)[C@@H](N)CCC(N)=O)C1 1842882191 NNQNCLZDRWPSLM-LBPRGKRZSA-N 320.393 -0.804 30 20 DBED C#CC(=O)N1CC2(CCCN2C(=O)[C@@H](C)NC(=O)NCC)C1 1844231258 HMFIOAUIMZAPGT-LLVKDONJSA-N 306.366 -0.469 30 20 DBED CCn1cc(C#N)c(=O)n(CC(=O)N2C[C@@H](C)O[C@H](C)C2)c1=O 22284690 YTXKZKSFFVECCJ-GHMZBOCLSA-N 320.349 -0.463 30 20 DBED COCC(=O)N1CCN(CC(=O)N[C@@](C)(C#N)C(C)C)CC1 47995726 BFUXZDBNXFMOMW-HNNXBMFYSA-N 310.398 -0.169 30 20 DBED CCN(CC#N)C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 68240848 QSJBEEDZSHNOAB-UHFFFAOYSA-N 301.306 -0.382 30 20 DBED C=CCN(CCNS(=O)(=O)CC)[C@H]1CCS(=O)(=O)C1 68830409 SBLDANRRBUABCP-NSHDSACASA-N 310.441 -0.399 30 20 DBED COCCN1CCN(CC(=O)N[C@](C)(C#N)C(C)C)CC1=O 91840097 DUTWUXJZNAFJFY-OAHLLOKOSA-N 310.398 -0.169 30 20 DBED Cn1cc(C(=O)NCC2CCN(CC(=O)NCC#N)CC2)cn1 154890390 OUYLIKQWCCEQTE-UHFFFAOYSA-N 318.381 -0.498 30 20 DBED C#CCOCCC(=O)NCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 155901775 ICOXUOUWWDEQGT-JURCDPSOSA-N 316.357 -0.050 30 20 DBED C=CCCCN1CCO[C@@H](CN(CC(=O)O)S(C)(=O)=O)C1 262940034 NIWIBCLCVCGEQG-GFCCVEGCSA-N 320.411 0.000 30 20 DBED C=CCN(CC=C)[C@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O 266809454 MUBOLEOTVXCZKG-SNVBAGLBSA-N 306.366 -0.089 30 20 DBED CN(CCNC(=O)NCCn1cnc(C#N)n1)CC(F)(F)F 286608119 HKQDCKUKWKDWGC-UHFFFAOYSA-N 319.291 -0.057 30 20 DBED C=C[C@H](CO)NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1 290128040 HDMJOQXTGUVDMQ-SECBINFHSA-N 305.377 -0.085 30 20 DBED C[C@@H]1CN(C(=O)C(=O)N(C)Cc2ccc(C#N)cc2)CC(=O)N1 297479108 BUDJFQZADMHROY-LLVKDONJSA-N 314.345 -0.136 30 20 DBED N#Cc1ccc(N2CC[C@H](N3CCO[C@@H](C(N)=O)C3)C2=O)cc1 299478698 ZZOHGMJLXBLANE-UONOGXRCSA-N 314.345 -0.150 30 20 DBED CS(=O)(=O)N1CCN(C/C(O)=N/[C@@H]2C=C[C@H](CO)C2)CC1 328902887 HDVVFENHTIZIRX-NWDGAFQWSA-N 317.411 -0.543 30 20 DBED CCCN([C@@H]1CC(=O)N(C)C1=O)S(=O)(=O)N(C)CCC#N 330406287 FMZFKVMTFOOLJD-SNVBAGLBSA-N 316.383 -0.454 30 20 DBED CN(CCO)/C(O)=N/CCS(=O)(=O)N1CCSCC1 330565796 FWJFETSUVIBCIQ-UHFFFAOYSA-N 311.429 -0.797 30 20 DBED CS[C@H](CO)[C@H](C)N/C(O)=N/C[C@@H]1CN(C)CCN1C 330836242 WZNVIMPQAGKYOX-QJPTWQEYSA-N 304.460 -0.152 30 20 DBED COCc1ncsc1/C(O)=N/CCNS(=O)(=O)N(C)C 330852785 MKRBRTTYHNQAGC-UHFFFAOYSA-N 322.412 -0.010 30 20 DBED CCN(CCC#N)S(=O)(=O)N[C@@H]1CCCS(=O)(=O)C1 337099702 UQMCDAGOSDVFIL-SNVBAGLBSA-N 309.413 -0.366 30 20 DBED CCN(CCC#N)S(=O)(=O)N1C[C@@H](C(=O)OC)O[C@H](C)C1 337960267 NIZUBGIQMQTCGT-MNOVXSKESA-N 319.383 -0.271 30 20 DBED C[C@@H]1CN(c2nccnc2C#N)CCN1Cc1nc(=O)n(C)[nH]1 347413266 BVIWKMMEMIUZAO-SNVBAGLBSA-N 314.353 -0.519 30 20 DBED N#CCN(CC#N)S(=O)(=O)c1cccc(-n2cnnn2)c1 350627138 CQIWWLPDCLJXHT-UHFFFAOYSA-N 303.307 -0.300 30 20 DBED N#CCNC(=O)CNS(=O)(=O)Cc1noc2ccccc12 352512780 QKIUIZXNIAMLOJ-UHFFFAOYSA-N 308.319 -0.113 30 20 DBED C[C@@H]1CS(=O)(=O)C[C@H]1NS(=O)(=O)c1cncc(C#N)c1 352725292 JMRVDRZWGNFTFI-LDYMZIIASA-N 315.376 -0.335 30 20 DBED C=CCOC[C@@H](NC(=O)[C@@H](C)N1CCN(C)CC1)C(=O)OC 435951317 WJZHZGJXGSICQR-CHWSQXEVSA-N 313.398 -0.517 30 20 DBED C#CCN1CCN(C(=O)CN2C(=O)C[C@@](C)(CC)C2=O)CC1 490873164 HVWIUHZEFGIMDC-MRXNPFEDSA-N 305.378 -0.061 30 20 DBED C#CCNC(=O)CN1CCN(Cc2cc(C(=O)OC)co2)CC1 491070463 BZUHRKYYRANVQM-UHFFFAOYSA-N 319.361 -0.067 30 20 DBED C=CCNC(=O)[C@H](C)N1CCCN(C(=O)CNC(C)=O)CC1 528729882 MDJYFBZMPUAJTP-LBPRGKRZSA-N 310.398 -0.653 30 20 DBED N#Cc1ccc(S(=O)(=O)NCC(=O)NCC(=O)C2CC2)cc1 563189986 LROPZRNCGCKZNK-UHFFFAOYSA-N 321.358 -0.068 30 20 DBED C=CCC[C@H](NC(=O)C1(S(N)(=O)=O)CC1)C(=O)OCC 569011276 YBPMFVKJOLNBHD-VIFPVBQESA-N 304.368 -0.178 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@H](CCOC)C(=O)O 574695289 IFPUKTBDFJSFEU-VHSXEESVSA-N 307.372 -0.208 30 20 DBED N#Cc1ccc(F)c(CS(=O)(=O)N2C[C@H](O)[C@@H](CO)C2)c1 581558796 AMBWUICQBQEEHU-YPMHNXCESA-N 314.338 -0.188 30 20 DBED C[C@H](CNC(=O)CNS(=O)(=O)c1cccc(C#N)c1)N(C)C 589299225 PGHRHIZYJJLVGA-LLVKDONJSA-N 324.406 -0.097 30 20 DBED C[C@H](CCO)NC(=O)CNS(=O)(=O)c1cccc(C#N)c1 589451825 CJSSCNMHXZQVBB-SNVBAGLBSA-N 311.363 -0.276 30 20 DBED COC(=O)[C@H]1CNCCCN1S(=O)(=O)c1cccnc1C#N 592389632 ZOIFILMHBGUADM-LLVKDONJSA-N 324.362 -0.521 30 20 DBED CN(C)S(=O)(=O)N1CCN(c2ccc(C#N)c(N)n2)CC1 594543950 OFOVUPORIQGPLQ-UHFFFAOYSA-N 310.383 -0.536 30 20 DBED N#C[C@H]1CN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CCO1 596115962 FQJPBPGHDMGORS-VIFPVBQESA-N 312.307 -0.029 30 20 DBED Cn1cc(S(=O)(=O)N2CC[C@@](F)(C#N)C2)cc1C(N)=O 615544278 CUFRDPLRCAQWJF-LLVKDONJSA-N 300.315 -0.250 30 20 DBED C=C[C@H](O)C(=O)N1CCN([C@@H](C)C(=O)NCCCOC)CC1 668237404 NFFFOZXBHJOLJE-STQMWFEESA-N 313.398 -0.781 30 20 DBED C[C@@H]1CC(=NC(=O)COc2ccc(S(N)(=O)=O)cc2)NO1 765380129 XNVHMNGMDDLWPV-MRVPVSSYSA-N 313.335 -0.049 30 20 DBED Cn1cnn(CC(=O)NCCNc2ccc(C#N)cn2)c1=O 778591328 ZGWMMGPBXDDMFN-UHFFFAOYSA-N 301.310 -0.923 30 20 DBED C[C@@H]1CN=C(NN=C2CCN(CCN3CCOCC3)CC2)N1 779800438 ZNZBAJQFCDKQDU-CYBMUJFWSA-N 308.430 -0.292 30 20 DBED C#C[C@@H](C)NC(=O)C(=O)Nc1cc(-n2cnnn2)ccc1F 784850395 VAKTWUGQWCGPHI-MRVPVSSYSA-N 302.269 -0.122 30 20 DBED CC1(CNC(=O)C(=O)NCCNc2ncccc2C#N)COC1 787788410 XITFVLIOZFZOCZ-UHFFFAOYSA-N 317.349 -0.366 30 20 DBED CC(=NNC(=S)NCC(N)=O)c1ccc(N)c([N+](=O)[O-])c1 799110113 RJDHCURMOVXGTF-UHFFFAOYSA-N 310.339 -0.150 30 20 DBED CCN(CCS(C)(=O)=O)S(=O)(=O)N(C)C[C@H](C)C#N 800089984 GONQSYFYGCIFPG-SNVBAGLBSA-N 311.429 -0.311 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@H](COC)[C@@H]1CCCO1)[C@@H]1CCCO1 809305265 ANXVRXCIGKOXPJ-CRWXNKLISA-N 324.377 -0.406 30 20 DBED CCn1nc(C)c(CNS(=O)(=O)N2CCO[C@H](C#N)C2)n1 819891230 QXJWHEVADJBYQW-SNVBAGLBSA-N 314.371 -0.835 30 20 DBED C#CC1CCN(C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2OC)CC1 821140795 BTTYRMRTYJGEKW-NEPJUHHUSA-N 300.380 -0.147 30 20 DBED COc1ccc(CNC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)cc1C#N 830731699 FAASBZPXCDHSHJ-UMVBOHGHSA-N 318.329 -0.404 30 20 DBED CNS(=O)(=O)c1cc(C(=O)N[C@H]2CNC[C@@H]2C#N)c(C)o1 834480199 MLPKXYYQFKBFGO-WPRPVWTQSA-N 312.351 -0.663 30 20 DBED C#CC[C@H](CO)NC(=O)CN1C(=O)c2ccccc2S1(=O)=O 854547726 IPVYIBHZXAWJOB-SNVBAGLBSA-N 322.342 -0.669 30 20 DBED C#CCN(CC(=O)NC[C@H](O)C(=O)NC)C(=O)OC(C)(C)C 857190694 AYFBKFZZZDSJDN-JTQLQIEISA-N 313.354 -0.920 30 20 DBED CC[C@H](C)NC(=O)CN1CCN(C(=O)NCC#CCO)CC1 923787380 IDCJCSHHCVYQSK-ZDUSSCGKSA-N 310.398 -0.776 30 20 DBED Cn1cnc(C(=O)N[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)n1 937902921 VOWJHIHXGAIGIY-JTQLQIEISA-N 313.321 -0.341 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@H](NC(=O)Cn3cncn3)C2)[nH]1 938881744 SFYHUAKAHJQHJZ-NSHDSACASA-N 313.321 -0.491 30 20 DBED CC(C)(C(N)=O)C(=O)N1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 940062633 GRRPLNAUKJRZAF-SNVBAGLBSA-N 317.349 -0.271 30 20 DBED C=CC(C)(C)C(=O)N1CCC[C@@H]1CNC(=O)[C@H]1CNC(=O)N1 944184429 QKXQKPGZBRVAIC-GHMZBOCLSA-N 308.382 -0.013 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@@H]3[C@H](CCN3C(=O)C(N)=O)C2)[nH]1 945933679 ZBHZBEKNMPFTAE-BXKDBHETSA-N 315.333 -0.565 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2[C@H]3C[C@H]2N(C(=O)CC(N)=O)C3)cc1 947707783 UOZYPKPIMHTHEL-WOSRLPQWSA-N 311.341 -0.128 30 20 DBED C=C(C)CCN1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)CC1 948630614 VMCIUSVXFFQCGH-UHFFFAOYSA-N 320.393 -0.343 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)Cc1nc[nH]n1)CCO2 949226383 GNBRKLSYYRDPPP-UHFFFAOYSA-N 303.366 -0.326 30 20 DBED C=CCCN1C[C@@H](O)[C@@H](CNC(=O)c2cc(C(N)=O)cn2C)C1 958220310 WNUHLYUTQSTJEY-GXTWGEPZSA-N 320.393 -0.277 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](CNC(=O)c2cn(C)ccc2=O)C1 958248894 QBLVKLNLPFWICM-IUODEOHRSA-N 305.378 -0.016 30 20 DBED C#Cc1cncc(C(=O)NC[C@@H]2CN(CCCO)C[C@H]2O)c1 958389314 DRKVSSWXLZHDPH-HUUCEWRRSA-N 303.362 -0.532 30 20 DBED C=C(C)CCN1C[C@H](CNC(=O)C2CC(=O)NC(=O)C2)[C@@H](O)C1 958484763 CXNJQMXPZOEIKP-STQMWFEESA-N 323.393 -0.586 30 20 DBED CC[C@H](C(N)=O)N1C[C@H]2[C@H](NC(=O)c3cc(C#N)c[nH]3)[C@H]2C1 958505084 OJQIMHMRVFMKKR-DNIRFERGSA-N 301.350 -0.190 30 20 DBED Cn1ncc(CN2C[C@H]3[C@H](NC(=O)c4ccc(C#N)[nH]4)[C@H]3C2)n1 958589712 FPKDTDMQOFBGBX-IMRBUKKESA-N 311.349 -0.125 30 20 DBED N#Cc1cccc(CN2C[C@H]3[C@H](NC(=O)Cn4ncnn4)[C@H]3C2)c1 959892742 IDDJUYLFRKACNZ-FOLVSLTJSA-N 323.360 -0.209 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CN(C(=O)[C@H]3CCCC(=O)N3)C[C@H]2C1 961775482 YITTVTNLJALEJA-FVCCEPFGSA-N 318.377 -0.268 30 20 DBED N#Cc1cc(C(=O)N2CC[C@@H]3[C@@H]2CCCN3C(=O)C(N)=O)c[nH]1 963513069 OWLHAENVWIUBEM-NWDGAFQWSA-N 315.333 -0.423 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(C[C@H](NC(=O)c3cn[nH]c3)CO2)C1 965651388 VZUVLQNWQCPRIX-ONGXEEELSA-N 303.322 -0.331 30 20 DBED Cc1n[nH]cc1C(=O)N[C@@H]1COC2(C1)CN(C(=O)[C@@H](C)C#N)C2 965772521 UHZCQDYCNYVXNR-ONGXEEELSA-N 317.349 -0.023 30 20 DBED C[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1NC(=O)c1cnn(C)c1N 966399422 LLCLNKIYKZDZLE-GWCFXTLKSA-N 315.377 -0.008 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)[C@H]3CN(C)CCO3)C2)C1 972317186 RZXJVHZPVOKMKC-ZBFHGGJFSA-N 307.394 -0.747 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@]3(CN(CC(N)=O)CCO3)C2)c1 972323732 LJMIPWRPDLHYQZ-HNNXBMFYSA-N 317.349 -0.711 30 20 DBED N#CCN1C[C@@H]2C(CNC(=O)[C@@H]3CCc4nn[nH]c4C3)[C@H]2C1 978942294 RRLFZUYVSBTXKA-YUSALJHKSA-N 300.366 -0.273 30 20 DBED N#Cc1cc(C(=O)N2CCCCC[C@@H](NC(=O)C(N)=O)C2)c[nH]1 987008444 LNHKZOKOBVYPLU-LLVKDONJSA-N 317.349 -0.127 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@@H](NC(=O)Cn2cncn2)[C@@H](O)C1 991803874 MDDPDBDXPPACSX-NEPJUHHUSA-N 321.381 -0.432 30 20 DBED N#CCN1CC[C@@]2(NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)CCC[C@@H]12 992175178 TWRRXVCCAZVDKP-YFCNSXCBSA-N 306.366 -0.344 30 20 DBED N#CCN[C@@H]1CCC[C@@H]2CN(C(=O)CN3CCNC(=O)C3)C[C@H]21 992773867 DLMFYGZPPHIJEW-MGPQQGTHSA-N 319.409 -0.842 30 20 DBED C#Cc1ccc(C(=O)N2CC(NC(=O)Cc3ncc[nH]3)C2)cn1 998383744 SCADVPAELIWXSC-UHFFFAOYSA-N 309.329 -0.031 30 20 DBED CN(C[C@@H]1CCCN1C(=O)CC(N)=O)C(=O)c1cc(C#N)c[nH]1 1002295324 WNGDBTUFFODZND-NSHDSACASA-N 317.349 -0.175 30 20 DBED CN(C(=O)C1CC2(C1)NC(=O)NC2=O)C1CCN(CC#N)CC1 1006115159 BDLJEZRCMRHBPG-UHFFFAOYSA-N 319.365 -0.579 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CC[C@H]1CN2C(=O)Cn1cncn1 1007498301 CDQSDLUNTJWRGG-UTUOFQBUSA-N 302.338 -0.360 30 20 DBED C=C(Br)CN[C@H]1CCN(C(=O)Cn2cnnn2)C1 1018481741 NUKJXZMQZYIMOC-VIFPVBQESA-N 315.175 -0.228 30 20 DBED C=CCN1CC[C@@H](N[C@H]2C[C@@H](NC(=O)[C@H]3CCC(=O)N3)C2)C1=O 1021899224 KJTUOSZIZGGDOB-YVECIDJPSA-N 320.393 -0.711 30 20 DBED CC#CCN1C[C@H]2[C@H](NC(=O)[C@@]34C[C@H]5C[C@@H](C(=O)N3)[C@H]4C5)[C@H]2C1 1025824955 SEIJQEJODHUBPI-WJVIIHSSSA-N 313.401 -0.029 30 20 DBED C=CCN[C@@H]1CC[C@H]2CN(C(=O)CN3CCC(=O)NC3=O)C[C@H]21 1026399761 YCGRNYCEMNCNSK-YNEHKIRRSA-N 320.393 -0.059 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CN([C@H]2CCC(=O)NC2=O)C1 1031088157 MBRSFLOUKNWYSQ-OBJOEFQTSA-N 321.377 -0.427 30 20 DBED C=C(C)CCN1CC(NC(=O)c2cn(CC(=O)N(C)C)nn2)C1 1031438781 UCADIQJIFAJTRA-UHFFFAOYSA-N 320.397 -0.254 30 20 DBED CC#CCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(S(N)(=O)=O)o1 1032496619 KMCBUBQDJMGSHK-QWRGUYRKSA-N 323.374 -0.151 30 20 DBED CC#CCN1CCO[C@@H](CNC(=O)c2cc(OC)n(C)n2)C1 1035437384 DOBPDKLPBKUSIQ-LBPRGKRZSA-N 306.366 -0.117 30 20 DBED N#CCN1CCO[C@H](CNC(=O)c2nccn3ccnc23)C1 1035518177 KZALBYDAGYFELV-LLVKDONJSA-N 300.322 -0.317 30 20 DBED C#CCCN1CCO[C@H](CNC(=O)[C@@H]2COCCN2C(C)=O)C1 1035607697 VNCQKVZRNRUZTR-CABCVRRESA-N 323.393 -0.926 30 20 DBED C=CCCn1cc(C(=O)N2CC[C@H](NCC(N)=O)[C@@H](C)C2)nn1 1036211892 MIPCEEYNBQFHCD-RYUDHWBXSA-N 320.397 -0.220 30 20 DBED C#CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)CN1C(=O)CC(C)(C)C1=O 1037408758 YUHAOIQQMPFFKW-SUNKGSAMSA-N 303.362 -0.406 30 20 DBED CN1CC[C@H](N2CC[C@H]2CNC(=O)c2ccc(C#N)[nH]2)C1=O 1038173563 OQVJKSHDKLKPFB-AAEUAGOBSA-N 301.350 -0.079 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCN1Cc1ncnn1C 1038368570 QOHLOHOFOUNAHV-KBPBESRZSA-N 316.409 -0.397 30 20 DBED C#CCCN1CC[C@H]1CNC(=O)[C@H]1C[C@H](OC)CN1C(C)=O 1038557736 GOTGHOUUPNHEQX-SOUVJXGZSA-N 307.394 -0.164 30 20 DBED C=CCN1CC[C@H]1CNC(=O)c1nc(C)n(-c2nc[nH]n2)n1 1038575942 PGZMRKGDQKMNFB-JTQLQIEISA-N 302.342 -0.316 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2CCN2Cc2nc(O)n[nH]2)cn1 1038931738 KEPINKOBXRUBNP-GFCCVEGCSA-N 312.333 -0.109 30 20 DBED CN1C[C@H](C(=O)N2CC[C@@]3(CCCN(CC#N)C3)C2)NC1=O 1040327447 FWQFSFDWTBOWNS-IUODEOHRSA-N 305.382 -0.152 30 20 DBED C[C@@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)c2cncnc2)C1 1040760166 FYERPITXLQOERN-IINYFYTJSA-N 303.322 -0.671 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)CC2=CCOCC2)C1 1040819901 BVVOKSGDVGLHEI-WBMJQRKESA-N 321.377 -0.038 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)[C@@H](CC)NC(C)=O)C1 1041963725 YKQPGCQLVNMIDN-GFCCVEGCSA-N 311.382 -0.443 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)c2cn(C)c(O)n2)C1 1042937292 ARQLYOWBVGEAKC-UHFFFAOYSA-N 320.349 -0.912 30 20 DBED C=CCN1CC[C@H](N2CC(N(C)C(=O)[C@H]3C[C@H]3C(N)=O)C2)C1=O 1043898933 UGOVPARVYSLEQS-AGIUHOORSA-N 320.393 -0.963 30 20 DBED Cc1c[nH]nc1C(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@@H]1O 1043929618 VVJRACFNQVFOPK-YPMHNXCESA-N 312.333 -0.036 30 20 DBED CCn1ncc(C(=O)NCC2(O)CN(C(=O)[C@H](C)C#N)C2)c1C 1045240834 WKEVQWYZOBRCCX-SNVBAGLBSA-N 319.365 -0.326 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 1045546201 JKTQJPMLTKQFFB-MROQNXINSA-N 321.377 -0.349 30 20 DBED COc1ncccc1C(=O)NCC1(O)CN(C(=O)[C@@H](C)C#N)C1 1045703052 OBQDJECWJAPHGU-JTQLQIEISA-N 318.333 -0.447 30 20 DBED Cc1nc(C)c(C(=O)NCC2(O)CN(C(=O)[C@@H](C)C#N)C2)[nH]1 1046763152 MQAREUNSFQFNPU-QMMMGPOBSA-N 305.338 -0.511 30 20 DBED C=CCN1C[C@H]2C[C@@H](NC(=O)CN3CCN(C)C(=O)C3)C[C@H]1C2 1047099258 WMAZQIDBLHQSIQ-RRFJBIMHSA-N 320.437 -0.085 30 20 DBED CCOCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CSCC#N)C1 1048302045 NNUCNNSPQFRVIE-QWRGUYRKSA-N 315.395 -0.690 30 20 DBED C#CCCCC(=O)N(C)[C@H]1CN(C(=O)c2nonc2C)C[C@@H]1O 1048757428 DBHFUOOMRRBTQC-RYUDHWBXSA-N 320.349 -0.175 30 20 DBED C=CCN1C[C@H]2CN(C(=O)C3CC4(C3)NC(=O)NC4=O)C[C@H]2C1 1049112843 DTZBVCOSDYXPLH-PFBBNDLVSA-N 318.377 -0.449 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](COC)OC)C1 1049494873 QNMJQAXYAHQSTH-RWMBFGLXSA-N 314.382 -0.356 30 20 DBED CC#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)CN1CCNC(=O)C1 1049639260 OJBGBWKVUHOIIR-GJZGRUSLSA-N 318.421 -0.493 30 20 DBED N#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1nccnc1C(N)=O 1049884700 LFGMQMTWROBEMM-GHMZBOCLSA-N 314.349 -0.222 30 20 DBED Cc1cc(CC(=O)N2CCOC3(CN(CC#N)C3)C2)n(C)n1 1053338966 RVBUWGQVGDOPEJ-UHFFFAOYSA-N 303.366 -0.292 30 20 DBED Cn1nc2c(c1C(=O)N1CCOC3(CN(CC#N)C3)C1)CCC2 1053506329 BEEUQHFZHYELJD-UHFFFAOYSA-N 315.377 -0.041 30 20 DBED CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1COC2(C1)CN(CC#N)C2 1053923230 QYSIYXAGHZYXPG-SDDRHHMPSA-N 306.366 -0.806 30 20 DBED C=CCN1CC2(C[C@H](NC(=O)c3nc4ncccn4n3)CO2)C1 1053961397 VKBKEQCQURELPU-NSHDSACASA-N 314.349 -0.117 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)[C@@H]3CCCN3C(N)=O)CO2)C1 1054025301 VPBWVRWVDFZCPM-MNOVXSKESA-N 307.354 -0.987 30 20 DBED C#CCN1CC[C@]2(CCCN(C(=O)c3nnc(O)nc3O)C2)C1 1054159271 JFMVPCUYFCYYTJ-OAHLLOKOSA-N 317.349 -0.156 30 20 DBED CC(C)C#CC(=O)NCCN1CCC(NC(=O)CC(N)=O)CC1 1055573570 ZFOVOXIGAHAPLS-UHFFFAOYSA-N 322.409 -0.782 30 20 DBED N#Cc1ccc(N2CCN(C(=O)[C@@H]3CCC(=O)NC3)CC2)nn1 1056079802 WLGPSCHAOPWQBL-LLVKDONJSA-N 314.349 -0.477 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@](CO)(NC(=O)Cc2ncc[nH]2)C1 1056080230 PDTQCJSXVSAKFP-NHYWBVRUSA-N 319.365 -0.418 30 20 DBED N#Cc1cncc(N2C[C@@H]3C(NC(=O)Cn4cccn4)[C@H]3C2)n1 1056142580 ZLAOLRSJQXIXTN-RYUDHWBXSA-N 309.333 -0.204 30 20 DBED Cn1cc(C(=O)NC2[C@@H]3CN(c4ccnc(C#N)n4)C[C@@H]23)nn1 1056199222 UOEPHGVLQOPOHK-RKDXNWHRSA-N 310.321 -0.659 30 20 DBED N#Cc1sc(N2C[C@H]3C(NC(=O)C(N)=O)[C@@H]3C2)nc1Cl 1056381663 ASEPVWYMJDVPHA-RFZPGFLSSA-N 311.754 -0.296 30 20 DBED N#Cc1cccnc1N1C[C@H]2[C@H](NC(=O)[C@@H]3CNC(=O)N3)[C@H]2C1 1056393020 QHRMUUDUSMYGKT-WHOHXGKFSA-N 312.333 -0.815 30 20 DBED N#Cc1ccc(N2C[C@@H]3C(NC(=O)[C@H]4C[C@H]4C(N)=O)[C@H]3C2)nn1 1056407439 SEOPIKDBUGPFJW-RCWTZXSCSA-N 312.333 -0.980 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)Cn1ccc(C)n1 1057196451 JJPNNQPRIJCWTR-UHFFFAOYSA-N 324.381 -0.669 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)c1nnn(C)c1C 1057439568 RZKYZTMDHDGNQJ-UHFFFAOYSA-N 321.381 -0.522 30 20 DBED COC(=O)[C@H]1C[C@H]1C(=O)NCCN(CCO)C(=O)C#CC1CC1 1057531748 XRWGXBQIOXDFBB-OLZOCXBDSA-N 322.361 -0.854 30 20 DBED Cc1cnn(C)c1C(=O)NCCN(CCO)C(=O)C#CC1CC1 1057538299 ZXCUOLUPVYHSJK-UHFFFAOYSA-N 318.377 -0.307 30 20 DBED CN1CC[C@@H](C(=O)N[C@H]2CCN(c3ccc(C#N)nn3)C2)C1 1058373251 DGKOBQWBVAUOIH-YPMHNXCESA-N 300.366 -0.005 30 20 DBED N#Cc1nccc(N2CC[C@@H](NC(=O)C[C@H]3CCC(=O)N3)C2)n1 1058396100 FCMRBRXKQYPYSD-GHMZBOCLSA-N 314.349 -0.288 30 20 DBED C#CCNC(=O)CC(=O)NCCN(CCO)C(=O)CCCC=C 1058621582 KXJXJSXKYOCIQW-UHFFFAOYSA-N 323.393 -0.581 30 20 DBED CCn1ccnc1C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N 1058653003 JXDHSKHERQHDSP-NSHDSACASA-N 307.354 -0.387 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)c1c[nH]c(C#N)c1 1058653143 NLMRPBNZJYTFCT-JTQLQIEISA-N 303.322 -0.403 30 20 DBED CNC(=O)NCC(=O)N1CC[C@H](CCNC(=O)[C@@H](C)C#N)C1 1059783828 XJSUMKANZFVDLC-QWRGUYRKSA-N 309.370 -0.570 30 20 DBED C=C(C)CCC(=O)N1CCOC[C@H]1CNC(=O)[C@H]1CCC(=O)N1 1061420300 XMXBYUFLNZVDOE-CHWSQXEVSA-N 323.393 -0.035 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)Cc1cncn1C 1061723054 QAFZVVKGYJASGZ-WCQYABFASA-N 319.365 -0.534 30 20 DBED Cn1nncc1C(=O)NCC1(NC(=O)CSCC#N)CCC1 1062896826 LXGHCWHWHXWTKF-UHFFFAOYSA-N 322.394 -0.159 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)[C@@H]2CCCNC2=O)CCC1 1063372713 HGUABJPUVYFZRS-WDEREUQCSA-N 306.366 -0.173 30 20 DBED C[C@@H]1CN(C(=O)CC(N)=O)CC[C@H]1N=c1cc[nH]cc1C#N 1063713909 QLSRJWMEWREZPC-ZYHUDNBSSA-N 301.350 -0.101 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H]1CN(C(=O)[C@@H](C)CC)CCO1 1064870116 HGTZPEOLMGMFMS-STQMWFEESA-N 323.393 -0.484 30 20 DBED C#CCNC(=O)CC(=O)N1CCO[C@@H](CNC(=O)[C@H]2C[C@@H]2C)C1 1065066846 DNZQFVOCKRJVRJ-AVGNSLFASA-N 321.377 -0.875 30 20 DBED CC(C)C#CC(=O)N1CCO[C@@H](CNC(=O)[C@@H]2COCCO2)C1 1065128928 HCHQCKZGBHCFFX-KBPBESRZSA-N 324.377 -0.595 30 20 DBED CC(C)(C(N)=O)C(=O)NC[C@H]1CN(C(=O)C#CC2CC2)CCO1 1065137578 XDKVCBIPTKNOPH-LBPRGKRZSA-N 321.377 -0.745 30 20 DBED Cn1nncc1C(=O)N[C@]1(C)CCN(c2nccnc2C#N)C1 1065250715 JMCFEVRGSLLDBN-CQSZACIVSA-N 312.337 -0.124 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@H](CNC(=O)Cn2ccnc2)C1 1065561231 PSOMOVXQCSEQES-VXGBXAGGSA-N 305.338 -0.614 30 20 DBED Cc1cc(=NC[C@H]2CN(C(=O)C(N)=O)C[C@@H]2C)c(C#N)c[nH]1 1065901698 WUYBSYTZAWVUNZ-CABZTGNLSA-N 301.350 -0.325 30 20 DBED C=CCOCC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CNC(=O)N2)CC1 1065988000 WHXBKBWRWUTPHN-NEPJUHHUSA-N 324.381 -0.632 30 20 DBED N#Cc1cnc(NCC[C@@H]2CCN(C(=O)CC(N)=O)C2)cn1 1066290473 RXQXTCHXAAUNAE-SNVBAGLBSA-N 302.338 -0.126 30 20 DBED C=CCCC(=O)N1CC2(C[C@H](NC(=O)Cn3ncnn3)CO2)C1 1068879427 ZKWJUKXGXDHMKO-NSHDSACASA-N 320.353 -0.875 30 20 DBED C[C@@H]1C[C@H](Nc2ccc(C#N)nn2)CN1C(=O)c1nnn(C)n1 1069178371 NLPQUWZBXIVSEM-SCZZXKLOSA-N 313.325 -0.413 30 20 DBED C=CCOCC(=O)N1CC[C@@]2(CCCN(C(=O)CC(N)=O)C2)C1 1069734986 PLBUHCLNEYWCDV-MRXNPFEDSA-N 323.393 -0.095 30 20 DBED CCC(=O)NCC(=O)NC1(CNC(=O)[C@H](C)C#N)CCOCC1 1070042176 YWLGFAODIHDDMF-LLVKDONJSA-N 324.381 -0.546 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)c4ncn(C)n4)C[C@@]3(C1)O2 1070796400 FHOOFEQTRMEUMH-YWPYICTPSA-N 301.350 -0.636 30 20 DBED C#CCCN1C[C@H]2C[C@@H]3CN(C(=O)c4nnn(C)n4)C[C@@]3(C1)O2 1070839951 OTGQPUXIDIOANF-LALPHHSUSA-N 316.365 -0.851 30 20 DBED Cc1ncc(CC(=O)N2CCC(=O)NCCN(CC#N)CC2)o1 1070969469 SLVVSQOBJMENIO-UHFFFAOYSA-N 319.365 -0.300 30 20 DBED C#CCN1CCN([C@@H]2CCCN(C(=O)c3cnon3)C2)C(=O)C1 1071275670 MZIXEBFZWDZBET-GFCCVEGCSA-N 317.349 -0.548 30 20 DBED N#CCN1CCCO[C@H](CNC(=O)c2cccc(C(N)=O)n2)C1 1073905250 ZNCGJTPXWOAIGU-LLVKDONJSA-N 317.349 -0.475 30 20 DBED COc1nccc(C(=O)N2CC[C@H]3OCCN(CC#N)[C@@H]3C2)n1 1074295408 YJRCHIFBNZQLLR-CHWSQXEVSA-N 317.349 -0.076 30 20 DBED C=CCN1CCO[C@H]2CCN(C(=O)CN3C(=O)CCC3=O)C[C@H]21 1074403520 XLTQJRWAPZHPQQ-OLZOCXBDSA-N 321.377 -0.377 30 20 DBED N#CCN1CCO[C@H]2CCN(C(=O)CCN3CCCC3=O)C[C@H]21 1074403612 YPMQAMKGOBCYSZ-KGLIPLIRSA-N 320.393 -0.176 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCN(C(=O)c2cnn[nH]2)[C@H](C)C1 1074990280 DCLPIYQRWLIXCL-VXGBXAGGSA-N 319.365 -0.046 30 20 DBED C[C@H]1[C@@H](NCC#N)CCN1C(=O)C[C@]1(C)CCS(=O)(=O)N1 1075073145 YNWDOEHJQUZBGT-GVXVVHGQSA-N 314.411 -0.439 30 20 DBED C#CCN1C[C@@H]2CCN(C(=O)[C@@H]3Cc4cncn4C(=O)N3)[C@@H]2C1 1076079286 OCHVWRYAPSLLKK-FPMFFAJLSA-N 313.361 -0.469 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)c2nc(OC)cc(OC)n2)C1 1077234664 VTOYNPYVCSJYFM-GHMZBOCLSA-N 322.365 -0.155 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CN(C/C=C\Cl)C[C@H]2O)nn1 1077801222 HTMDMFRGXBBCPO-YZKQYGISSA-N 311.773 -0.009 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)c2csc(-c3nc[nH]n3)n2)C1 1077827664 CGCANJJEOLTQLJ-PSASIEDQSA-N 320.378 -0.111 30 20 DBED C=CCN[C@@H]1C[C@H](NC(=O)CN2CCN(C)C(=O)C2)C12CCC2 1078663465 MZKWRUFYKFNSLU-KGLIPLIRSA-N 320.437 -0.037 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@H](CNC(=O)Cc2nnc(C)o2)C1 1081454604 BZUPUJGUOXYSAS-NEPJUHHUSA-N 322.365 -0.178 30 20 DBED C=C(C)CN1C[C@@H](NC(=O)CC2CS(=O)(=O)C2)[C@H](OC)C1 1081872069 PVNFGQLLNZJBEU-CHWSQXEVSA-N 316.423 -0.187 30 20 DBED CCC(=O)N1CC[C@H](C(=O)N[C@@H]2CN(CC#N)C[C@H]2OC)C1 1082308915 LHTLIVYNHVIQHY-YNEHKIRRSA-N 308.382 -0.416 30 20 DBED C#CCN1C[C@@H](NC(=O)C2CCN(C(N)=O)CC2)[C@H](OC)C1 1082363107 MYHQSHPZLUOUMV-CHWSQXEVSA-N 308.382 -0.774 30 20 DBED Cn1nccc1CN1C[C@H](O)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 1083413874 AWKQWSPFVHNIAV-KGLIPLIRSA-N 314.349 -0.405 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2CC(=O)N(C)C2)C1 1083505063 ZCRDREICYTWZCF-MXWKQRLJSA-N 301.774 -0.622 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)c2ccnc3c2ncn3C)C1 1083770256 ZGYAQDMYADIJHT-OLZOCXBDSA-N 313.361 -0.234 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)Cn3nnnc3C(C)C)[C@@H]2C1 1084709608 LLVMINCZSJZJTQ-CHWSQXEVSA-N 302.382 -0.038 30 20 DBED C=C(C)CN1CC[C@@H]2CN(C(=O)[C@@H]3CCS(=O)(=O)N3)[C@@H]2C1 1084838786 ZYUUHDRRLOBXBO-FRRDWIJNSA-N 313.423 -0.213 30 20 DBED Cn1nnc(C(=O)N[C@@H]2CN(CC#N)C[C@H]2c2ccccc2)n1 1086604763 UEKVYKZPWQSDOM-QWHCGFSZSA-N 311.349 -0.069 30 20 DBED C=CCN1CC[C@H](NC(=O)c2cnc(N(C)C)cn2)[C@@H](O)C1 1090264740 HNNCEBPFRYWYFY-AAEUAGOBSA-N 305.382 -0.106 30 20 DBED C=CCN1CC[C@H](NC(=O)c2cnc3n2CCOC3)[C@@H](O)C1 1090336030 DKPYVWLMAXQNNX-AAEUAGOBSA-N 306.366 -0.236 30 20 DBED COCCCC(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1O 1090375519 PRMMZYNAYKEIOX-VXGBXAGGSA-N 305.338 -0.559 30 20 DBED C=CCN1CC[C@@H](NC(=O)c2ccoc2CC(N)=O)[C@H](O)C1 1090523262 PASHBXJSZJGPEG-VXGBXAGGSA-N 307.350 -0.342 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2cnn(C)c2OC)[C@H](O)C1 1090760188 NRZCEQNBUKEXQU-QWHCGFSZSA-N 306.366 -0.383 30 20 DBED C#CCN1CC[C@H](NC(=O)c2ccc(N(C)C)cn2)[C@H](O)C1 1090840435 ZPFYBZDGYWSKCN-DZGCQCFKSA-N 302.378 -0.054 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(c2cc(C)nc(C)n2)C[C@@H]1O 1091081769 KEIMAJVVHNLGCB-OLZOCXBDSA-N 306.366 -0.038 30 20 DBED CC[C@@H]1[C@@H](NC(=O)CNC(N)=O)CCN1c1ccnc(C#N)n1 1091754817 LOHAPBDWZUWBQW-VHSXEESVSA-N 317.353 -0.510 30 20 DBED C=CCN1CC2(C[C@@H](NC(=O)[C@@H]3CCC(=O)N3)c3nccn32)C1 1092409057 GZMDXTQHFNJIEH-NWDGAFQWSA-N 315.377 -0.080 30 20 DBED COCCOCC(=O)NC1[C@@H]2CN(c3cncc(C#N)n3)C[C@@H]12 1093253181 DHQBFIGZVHYSIT-VXGBXAGGSA-N 317.349 -0.438 30 20 DBED Cc1nsc(NCCNC(=O)CN2CC(=O)NC2=O)c1C#N 1093788068 UYYSKLTZLIFZMI-UHFFFAOYSA-N 322.350 -0.597 30 20 DBED N#Cc1nc(=NCCNC(=O)COCc2cccnc2)cc[nH]1 1093789766 YHLKQXUWQPMYJR-UHFFFAOYSA-N 312.333 -0.090 30 20 DBED C[C@@H]1CN(C)C[C@H](C(=O)NCCN=c2cc[nH]cc2C#N)O1 1094226308 OUQADDGATCUZKO-BXUZGUMPSA-N 303.366 -0.378 30 20 DBED N#Cc1ccc(NCCCNC(=O)Cn2c(O)nnc2O)nc1 1094527481 KVCGGRCLHIWHON-UHFFFAOYSA-N 317.309 -0.426 30 20 DBED N#Cc1cccnc1N1CCN(CCNC(=O)CC(N)=O)CC1 1096275294 WIGAPZRSKNIBFU-UHFFFAOYSA-N 316.365 -0.933 30 20 DBED CC(=O)NC(C)(C)C(=O)N[C@H]1CCN(c2nccnc2C#N)C1 1096400225 JADUWFVIWNTLMK-NSHDSACASA-N 316.365 -0.042 30 20 DBED CCC(=O)N[C@@H](C)C(=O)N[C@H]1CCN(c2cncc(C#N)n2)C1 1096496519 ZDBNAKPJPXLTSW-QWRGUYRKSA-N 316.365 -0.042 30 20 DBED N#Cc1nc(=N[C@H](CNC(=O)[C@H]2COC(=O)N2)C2CC2)cc[nH]1 1096660728 YYHRRRUTWIZAOM-NXEZZACHSA-N 316.321 -0.815 30 20 DBED CC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C[C@@H]1CC(=O)NC1=O 1096680567 MACFNJFVBBGYLM-NDBYEHHHSA-N 303.362 -0.216 30 20 DBED N#Cc1cnc(N[C@H]2C[C@@H](NC(=O)CNC(N)=O)C2)c(F)c1 1097146265 WFCHYNLJOISLBR-DTORHVGOSA-N 306.301 -0.180 30 20 DBED C[C@H](CNC(=O)[C@H]1COCCN1C)Nc1ccc(C#N)nn1 1097764134 BBXBWWLOLLSDIM-ZYHUDNBSSA-N 304.354 -0.405 30 20 DBED Cc1cc(C#N)nc(N[C@@H](C)CNC(=O)[C@H]2COCCN2C)n1 1097764638 JXHLWPDLUZVBHS-WCQYABFASA-N 318.381 -0.096 30 20 DBED C[C@H](CNC(=O)Cn1ncn(C)c1=O)Nc1ncccc1C#N 1098124451 WJXLWKKUXQYHTG-SNVBAGLBSA-N 315.337 -0.535 30 20 DBED CNC(=O)NCCC(=O)NCC[C@@H](C)Nc1cncc(C#N)n1 1099096060 SKSURKRALUSQBO-SNVBAGLBSA-N 319.369 -0.026 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)COCCC)[C@@H](O)C1 1099733094 RJKYCFADTDHWSV-STQMWFEESA-N 313.398 -0.733 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2ocnc2C)[C@@H](O)C1 1099754023 CEMGPLJCEPJOIH-STQMWFEESA-N 307.350 -0.202 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)c2cnn(CC)n2)[C@H](O)C1 1099801852 LJCORWOWZLYDRV-GXTWGEPZSA-N 323.397 -0.334 30 20 DBED CC(C)C#CC(=O)N[C@H]1CCN(CCS(C)(=O)=O)C[C@H]1O 1099820936 NDEKLRPRUWHYME-QWHCGFSZSA-N 316.423 -0.758 30 20 DBED C#CCN1CC[C@H](NC(=O)C2(C(=O)N(C)C(C)C)CC2)[C@H](O)C1 1100052970 HTYNWRQVMOFRDP-UONOGXRCSA-N 321.421 -0.182 30 20 DBED CNC(=O)NC(=O)CN1C[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@]2(C)C1 1101174469 UZPVZYNJYYJKHD-HFAKWTLXSA-N 321.381 -0.618 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1CNC(=O)CCC(=O)N1CCOCC1 1102549179 HNVDPVYKKJTWOL-ZIAGYGMSSA-N 322.409 -0.167 30 20 DBED C#CCN1C[C@@H](C)[C@H](CNC(=O)CC[C@H]2NC(=O)NC2=O)C1 1102563233 PCRSZTWRXJZCFT-IJLUTSLNSA-N 306.366 -0.708 30 20 DBED CCC(=O)NCC(=O)N(C)[C@@H]1CCN(c2nccnc2C#N)C1 1102702009 MIGFVOHFOKPKPC-LLVKDONJSA-N 316.365 -0.088 30 20 DBED CNC(=O)NCC(=O)N(C)[C@@H]1CCN(c2ccc(C#N)nc2)C1 1102766840 LKOQMOXEALKCPN-CYBMUJFWSA-N 316.365 -0.081 30 20 DBED CC[C@H](CNC(=O)[C@@H]1COC(=O)N1)Nc1nccnc1C#N 1103052227 CHCGXIFBTLPIIL-SCZZXKLOSA-N 304.310 -0.237 30 20 DBED CC[C@@H](CNC(=O)[C@H]1CN(C)C(=O)N1)N=c1cc[nH]cc1C#N 1103261586 QBQNBRLTMALMMY-WCQYABFASA-N 316.365 -0.295 30 20 DBED N#Cc1cnc(N2CCC[C@@H]2CCNC(=O)CNC(N)=O)cn1 1103725882 PPIVUGQMUQTINK-LLVKDONJSA-N 317.353 -0.508 30 20 DBED C[C@H](CNC(=O)c1ncn(C)n1)CNc1ccc(C#N)nn1 1103929495 ZTKJLMCDNJTYTR-VIFPVBQESA-N 300.326 -0.045 30 20 DBED C[C@@H]1CN(C(=O)[C@@H](C)NS(C)(=O)=O)C[C@H]1CCNCC#N 1104724792 GMEBVNOEPWECOF-IJLUTSLNSA-N 316.427 -0.478 30 20 DBED CCc1cc(C(=O)NC[C@@H](O)CNc2nccnc2C#N)n[nH]1 1105778695 VFVGSQZRZPKFGY-JTQLQIEISA-N 315.337 -0.163 30 20 DBED C[C@@]1(C(=O)NC[C@H](O)CNc2cncc(C#N)n2)CCOC1 1105939547 VJPXLFGXUBFGIN-BXUZGUMPSA-N 305.338 -0.336 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)C(=O)NCC2CC2)cn1 1105953976 LXAKGIREXPYUMH-ZDUSSCGKSA-N 317.349 -0.632 30 20 DBED C#CCOCCC(=O)NC[C@H](O)CNc1cc(COC)ncn1 1105965422 ASTNCQYNILRLSK-CYBMUJFWSA-N 322.365 -0.448 30 20 DBED CC[C@@H](NC(C)=O)C(=O)NC[C@H](O)CN=c1cc[nH]cc1C#N 1106122526 BAEZPWUCAQUQIP-CHWSQXEVSA-N 319.365 -0.821 30 20 DBED C[C@@H](CCNc1nccnc1C#N)NC(=O)[C@H]1CCNC1=O 1106515812 MMEOVLLHKBSXNW-UWVGGRQHSA-N 302.338 -0.209 30 20 DBED C[C@H](CCNc1cncc(C#N)n1)NC(=O)[C@H]1CNC(=O)N1 1106542711 IHFXTQDDSPAXLK-PSASIEDQSA-N 303.326 -0.664 30 20 DBED C#CCNC[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C[C@H]1C 1106661199 MRRWBRKOWXEZBP-APIJFGDWSA-N 321.421 -0.061 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)c2nccnc2C(N)=O)C[C@H]1C 1106962379 IHVNUFCORVREPY-VXGBXAGGSA-N 315.377 -0.104 30 20 DBED COCC(=O)NCCC(=O)N[C@H](C)CNc1ccc(C#N)nn1 1108166738 MGDXQRURRMKVDV-SNVBAGLBSA-N 320.353 -0.582 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)c2cncc(OC)n2)C1 1108263091 JRLISQCTICZZER-HNNXBMFYSA-N 304.350 -0.061 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1 1108538664 LIQSUFLERQFFRZ-ABAIWWIYSA-N 306.366 -0.762 30 20 DBED C=CC(C)(C)C(=O)N[C@H]1CC(=O)N(C2CN(C[C@@H](C)O)C2)C1 1108560347 JYMNGNXJDSDAIX-NEPJUHHUSA-N 309.410 -0.019 30 20 DBED COC(=O)c1nc(=NC2(CNC(=O)[C@H](C)C#N)CC2)cc[nH]1 1110087652 GVJGJABZBOEJBL-SECBINFHSA-N 303.322 -0.095 30 20 DBED C[C@H](C#N)C(=O)NCC1(Nc2ncnc3c2nnn3C)CC1 1110087701 ICIZMVDIWUOIHA-MRVPVSSYSA-N 300.326 -0.021 30 20 DBED N#Cc1ccc(NC2(CNC(=O)[C@H]3CCCNC3=O)CC2)nn1 1110257294 KOXYEUGXUKLDTN-NSHDSACASA-N 314.349 -0.065 30 20 DBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C1=COCCO1 1110258069 YMAMRVWAGPERSX-UTUOFQBUSA-N 320.349 -0.764 30 20 DBED CNC(=O)CC(=O)N(C)[C@H]1CN(c2ccc(C#N)nc2)C[C@@H]1O 1111179865 BVVOUCBIJYHLHL-STQMWFEESA-N 317.349 -0.903 30 20 DBED Cn1nncc1C(=O)N(CCO)CCNc1ncccc1C#N 1111459733 GDJWLADDLNTULP-UHFFFAOYSA-N 315.337 -0.372 30 20 DBED N#Cc1ccc(NCCN(CCO)C(=O)Cn2cncn2)nc1 1111473421 PUUUZELWNPFYEH-UHFFFAOYSA-N 315.337 -0.522 30 20 DBED C=C(Br)CN1CCN(C(=O)CNC(N)=O)CC1 1112608724 AKLLUMANOBJCHE-UHFFFAOYSA-N 305.176 -0.293 30 20 DBED C=CCNC(=O)NC(=O)CN1CCN(C(=O)[C@@H](C)OC)CC1 1112653086 ZWMFYHPEDHZQPQ-LLVKDONJSA-N 312.370 -0.823 30 20 DBED C#CCOCCC(=O)N1CCN(CCNC(=O)NC(C)C)CC1 1112843920 MTVKPNXDOQKLTQ-UHFFFAOYSA-N 324.425 -0.122 30 20 DBED C[C@@H](C(=O)N1CCN(CC(=O)NCC#N)CC1)c1ccnn1C 1112862459 LKWYJEGZEVKXNB-GFCCVEGCSA-N 318.381 -0.692 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@@]2(C)CCO[C@H]2C)CC1 1113136538 AOMXJFCLBBQJCG-BBRMVZONSA-N 307.394 -0.305 30 20 DBED C[C@H](CNC(=O)Cn1cnnn1)N(C)c1ncccc1C#N 1113486485 AKGJYWMSIWAGTH-SNVBAGLBSA-N 300.326 -0.419 30 20 DBED C[C@@H](CC(=O)NC[C@H](C)N(C)c1cncc(C#N)n1)NC(N)=O 1113720056 MPOAHVDAQWNIJP-UWVGGRQHSA-N 319.369 -0.264 30 20 DBED Cn1cc(CN2C[C@H]3C(NC(=O)CSCC#N)[C@@H]3C2)nn1 1113896609 FSIWWTDLICSBMI-GHMZBOCLSA-N 306.395 -0.382 30 20 DBED C=CCCC(=O)NC1[C@H]2CN(C[C@H](O)CN3CCCC3=O)C[C@H]12 1114020904 LMFWXMBJYPYNED-IHRRRGAJSA-N 321.421 -0.018 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)c3nccnc3N)[C@@H]2C1 1114056881 DLFNRCKXGOXCPQ-GHMZBOCLSA-N 301.350 -0.631 30 20 DBED CC(C)[C@@H](CCN(C)C(=O)C(N)=O)N=c1cc[nH]c(C#N)n1 1114113059 OKAOWOAJIQBJOE-SNVBAGLBSA-N 304.354 -0.460 30 20 DBED COC[C@@H](O)CN1C[C@@H]2C(NC(=O)c3ccc(C#N)[nH]3)[C@H]2C1 1114145746 VWUXHRLQNVRBFK-SRVKXCTJSA-N 304.350 -0.446 30 20 DBED C#CCO[C@H](C)C(=O)NC1[C@@H]2CN(CC(=O)N3CCCC3)C[C@@H]12 1114262374 CMHWSTWJXLVTCF-MGPQQGTHSA-N 319.405 -0.307 30 20 DBED C=C(Cl)CN1C[C@H]2[C@H](NC(=O)CN(C)S(C)(=O)=O)[C@H]2C1 1114361709 SCILQAWHQALEER-IAZYJMLFSA-N 321.830 -0.323 30 20 DBED CC(=O)NCC(=O)NC[C@H]1[C@@H]2CN(c3cnc(C#N)cn3)C[C@H]12 1114503114 HQLVTFZFJILYGP-XYYAHUGASA-N 314.349 -0.717 30 20 DBED COCC#CCN1C[C@@H]2C(NC(=O)Cn3ccc(C)n3)[C@H]2C1 1114845698 DDJVEGQSVJIIQE-KBPBESRZSA-N 302.378 -0.112 30 20 DBED C[C@H](CCCN=c1cc[nH]c(C#N)n1)NC(=O)Cn1cncn1 1114938930 XOZHPQKSZUDDLA-LLVKDONJSA-N 314.353 -0.241 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)[C@H](NC(C)=O)C(C)C)[C@@H]2C1 1115147298 DDYQYJBTKNNVBC-RBSFLKMASA-N 321.421 -0.157 30 20 DBED C#CCCN1C[C@H]2C(NC(=O)CC[C@@H]3NC(=O)NC3=O)[C@@H]2C1 1115216800 JOOSKUQIRWGIGI-MXWKQRLJSA-N 304.350 -0.956 30 20 DBED C=CCO[C@H](C)C(=O)NC1[C@@H]2CN(CCn3cncn3)C[C@@H]12 1115331905 GIRJSPLTRSMALO-JHJVBQTASA-N 305.382 -0.084 30 20 DBED COC1(C)CN(C(=O)C(=O)NCCNc2ncccc2C#N)C1 1117037906 NOHLDISFMPLCCI-UHFFFAOYSA-N 317.349 -0.271 30 20 DBED C[C@H](CN(C)C(=O)[C@@H]1CNC(=O)N1)N=c1cc[nH]cc1C#N 1120634225 KLKUEQVDXDLTDG-SKDRFNHKSA-N 302.338 -0.685 30 20 DBED N#Cc1cccnc1N[C@@H](CO)CNC(=O)CCn1ccnn1 1121366942 ZZVMPQUPZTVKBX-GFCCVEGCSA-N 315.337 -0.476 30 20 DBED N#CCSCC(=O)NCCNCC(=O)NC[C@@H]1CCCO1 1123792459 XTCVFJDYUDDTFO-NSHDSACASA-N 314.411 -0.756 30 20 DBED CC(=O)N[C@H](C)C(=O)N(C)C[C@H](O)CNc1cnc(C#N)cn1 1124059922 NJNTXYBFOUPFPB-BXKDBHETSA-N 320.353 -0.896 30 20 DBED COCC#CCNCCNC(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1 1128658365 UKLPSGLGSQBVGF-CYBMUJFWSA-N 309.410 -0.011 30 20 DBED C#CCCN[C@@H]1CN(C(=O)C[C@](C)(O)C=C)C[C@@H]1n1ccnn1 1129795308 DSCOLNDUBPPLIK-IJEWVQPXSA-N 317.393 -0.030 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1cccc(C(N)=O)c1 1130367643 PNIFVPXUZRWYDA-LLVKDONJSA-N 316.361 -0.757 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CCn2ccnc2C1 1130484123 FTFYMDFQLHCPLI-CHWSQXEVSA-N 317.393 -0.711 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)CCc1cncnc1 1131350831 LNTXIZKRGWJCKY-GFCCVEGCSA-N 305.382 -0.194 30 20 DBED C#CCN1CC[C@]2(C1)CN(C(=O)CNC(=O)C1CC1)C[C@H](C)O2 1131631749 INNSGIJYYOCNGG-GUYCJALGSA-N 319.405 -0.162 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)c2ncc[nH]2)CC[C@H]1C 1132805503 SZHPJFANUHKCPZ-CHWSQXEVSA-N 317.393 -0.153 30 20 DBED C#CCNC[C@H]1CN(C(=O)CCCS(N)(=O)=O)CC[C@H]1C 1133087622 RHFWJOKHUCKUAL-OLZOCXBDSA-N 315.439 -0.238 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCCNCCN1C(=O)CCC1=O 1134061938 KRUGRVWZRAVPDO-NEPJUHHUSA-N 309.366 -0.568 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CC(=O)N(CCC)C1 1134502766 GLLQHIZVDXIKFD-QWHCGFSZSA-N 324.425 -0.359 30 20 DBED C=CCNC(=O)CN1CCC2(C1)CN(C(=O)Cc1cc[nH]n1)C2 1147274185 JKARSTRJYULFEZ-UHFFFAOYSA-N 317.393 -0.211 30 20 DBED N#CCNC(=O)CN1CCCO[C@@H](CNC(=O)c2cnco2)C1 1150053122 DZYYTPLAXWNXAG-NSHDSACASA-N 321.337 -0.865 30 20 DBED CC#CCN1CCCO[C@H](CNC(=O)[C@]2(C)CCNC2=O)C1 1150318532 QZGDAQDDZKVYAZ-CZUORRHYSA-N 307.394 -0.257 30 20 DBED N#CCN1CCCO[C@@H](CNC(=O)COC[C@@H]2CCCO2)C1 1150832668 UNTYMWHCTHVNPU-KBPBESRZSA-N 311.382 -0.087 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1cc2c(nc1O)CCC2 1151141533 SNBBSTYBFCJHMS-UHFFFAOYSA-N 317.349 -0.765 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)[C@@H](CC)N1CCCC1=O 1151540466 PKDRMVUHCQEUBU-QWHCGFSZSA-N 324.425 -0.216 30 20 DBED N#CCNC(=O)CNCCNC(=O)COCCc1ccccc1 1153550127 RPBJRAJWQSIXLQ-UHFFFAOYSA-N 318.377 -0.409 30 20 DBED CCN(CC#CCOC)[C@H](C)CNC(=O)CN1CC(=O)NC1=O 1155877752 IIPAIGKUAHXWTA-GFCCVEGCSA-N 324.381 -0.985 30 20 DBED O=C(C#CC1CC1)NCCCNCC(=O)NC(=O)NC1CC1 1157705173 OLGLCOQYQRISJH-UHFFFAOYSA-N 306.366 -0.516 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@H](C)c1ccnn1C 1158281784 BOKDGPZXZOUCAD-GFCCVEGCSA-N 305.382 -0.631 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)[C@H]2CC(=O)N(C)C2)C1=O 1159262573 HPRCAJRKHLTOJF-QWHCGFSZSA-N 322.409 -0.653 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)[C@@H]1CC(=O)N(CC)C1 1159276113 JOQHICKTPFMYST-QWHCGFSZSA-N 324.425 -0.359 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCCNCCNC(=O)C1CC1 1160209465 LSFJVDOVMGALGV-HNNXBMFYSA-N 320.437 -0.294 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)C1(CN(C)C)CC1 1165269932 AFQXDKBKSCUXDY-CYBMUJFWSA-N 308.426 -0.438 30 20 DBED C#CCNC(=O)[C@H](C)NCCCC[C@H](C)NC(=O)CC(=O)NC 1170336874 DXXSLKYRNIOGOG-STQMWFEESA-N 324.425 -0.475 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2oncc2C)[C@H]1C 1179836813 XYASYQAMEHUBDJ-RYUDHWBXSA-N 304.350 -0.075 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)C2CCOCC2)C1 1180628143 RXGJBECNDTYIBV-GXTWGEPZSA-N 307.394 -0.259 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@@H](NCCOCCOC)C1 1183353918 HDSAJFSBMSBUIY-CVEARBPZSA-N 323.437 -0.063 30 20 DBED C[C@H]1CN(C(=O)c2nccnc2C(N)=O)CC[C@@H]1CNCC#N 1185652034 OKUVHOFNQORQKO-WDEREUQCSA-N 316.365 -0.213 30 20 DBED C#CCCN[C@@H]1CCN(C(=O)C[C@@]2(C)CCS(=O)(=O)N2)C1 1187395238 UENBLEUZTANFHW-TZMCWYRMSA-N 313.423 -0.328 30 20 DBED Cc1cc(C(=O)N2CC[C@H](N(C)CC(=O)NCC#N)C2)nn1C 1189116078 RPUPDKOCHSCBGK-LBPRGKRZSA-N 318.381 -0.485 30 20 DBED CN(CC(=O)NCC#N)[C@H]1CCN(C(=O)C[C@@](C)(O)C2CC2)C1 1189696291 YNAKTGFKBCEBRA-XJKSGUPXSA-N 322.409 -0.290 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)C2(C(=O)NC)CC2)C1 1192824963 CXQNLGBTRYNGRG-LBPRGKRZSA-N 322.409 -0.653 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)[C@@]2(C)CCOC2)C1 1193047668 ISMSSNUHITYXON-CJNGLKHVSA-N 307.394 -0.305 30 20 DBED C=CCCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC(=O)N(CC)C2)C1 1193456033 KKNDLYWGAFHZHS-BFHYXJOUSA-N 309.410 -0.018 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)C(C)(C)CC=C)C1 1196444862 CCEGLWAUKUPULV-BFHYXJOUSA-N 321.421 -0.112 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2ccnn2C)C[C@H]1O 1199312000 CTNZRMZHDJQTPA-MRVWCRGKSA-N 308.382 -0.328 30 20 DBED C=CCCNC1CCN(C(=O)Cn2cnc(C(N)=O)n2)CC1 1200644030 IHMBFDKPXWYJSG-UHFFFAOYSA-N 306.370 -0.466 30 20 DBED CN1C[C@H](C(=O)N2CCCO[C@@H](CNCC#N)C2)CCC1=O 1202154291 MMYLBNVTAOJHMX-OLZOCXBDSA-N 308.382 -0.415 30 20 DBED C#CCCN[C@@H]1C[C@@H](NC(=O)CN2C(=O)CNC2=O)C12CCC2 1203694393 FKCMXDRXTDCLAE-VXGBXAGGSA-N 318.377 -0.422 30 20 DBED COCC#CCN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)Cn1ncnn1)C2 1204343699 HZTYVPXUCUNOCN-MGPQQGTHSA-N 318.381 -0.708 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)c2cnn(C)c2)[C@H](C)C1 1205922052 QPOYSCFBTBEEDZ-YRGRVCCFSA-N 317.393 -0.392 30 20 DBED Cc1ccc(=O)n(CC(=O)N2CCC(CNCC#N)CC2)n1 1206886587 YKIAKMGWLUWQPA-UHFFFAOYSA-N 303.366 -0.097 30 20 DBED COCC#CCN1C[C@@H](NC(=O)[C@H]2OCCO[C@H]2C)[C@H](C)C1 1207587279 PETPFYWPTRCVJB-BARDWOONSA-N 310.394 -0.123 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC[C@@H](NCCS(C)(=O)=O)C1 1208018878 VVTWIVAYRBDIPC-CHWSQXEVSA-N 316.423 -0.350 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2nncn2C)C[C@H]1OC 1212255811 QRZWJJIDHIVSDX-YNEHKIRRSA-N 321.381 -0.831 30 20 DBED C[C@@H]1CN(C(=O)[C@@H]2CCCCO2)C[C@H]1NCC(=O)NCC#N 1214441112 BCRHYLTYHDAQOA-UPJWGTAASA-N 308.382 -0.368 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)CSC)C1 1219153473 JQPWTQWNFREBRS-AXFHLTTASA-N 301.412 -0.799 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1O 1219487590 YJGZIKFOATWPFK-CABCVRRESA-N 315.373 -0.513 30 20 DBED CC1(CCC(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@@H]2O)CC1 1220672968 KKIWHJZGRUBUOY-NEPJUHHUSA-N 308.382 -0.632 30 20 DBED COCC(C)(C)C(=O)N1C[C@H]2CCN(CC(=O)NCC#N)C[C@H]21 1221691727 VCVUQDVBTRBLBX-CHWSQXEVSA-N 322.409 -0.169 30 20 DBED N#CCNC(=O)CN1CC[C@@H]2CCN(C(=O)C(F)F)C[C@@H]21 1222161716 UTWZKVFKSVAUES-ZJUUUORDSA-N 300.309 -0.186 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@@H]1CN(C)C(=O)c1cc[nH]n1 1230824142 TWVKWQRDVPPZMI-NWDGAFQWSA-N 303.366 -0.306 30 20 DBED CN(C[C@@H]1CCN1CC(=O)NCC#N)C(=O)C[C@H]1CCOC1 1231342684 PFEFLTAEYLSTNQ-OLZOCXBDSA-N 308.382 -0.415 30 20 DBED Cc1nnc(CC(=O)N(C)C[C@@H]2CCN2CC(=O)NCC#N)o1 1234086894 DYVYLCWVUCLXIR-NSHDSACASA-N 320.353 -0.907 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C[C@H]1CCN1Cc1cnnn1C 1234215566 MSVKGEIKDLDQNP-QWHCGFSZSA-N 305.382 -0.114 30 20 DBED CC#CCCNC(=O)C(=O)NCC1CCS(=O)(=O)CC1 1258340966 RNTAPOCWWSHCIW-UHFFFAOYSA-N 300.380 -0.543 30 20 DBED C=CCn1cc(CNC(=O)C(=O)NCCC2(C)OCCO2)nn1 1261446826 JUCTXPIFKHESHE-UHFFFAOYSA-N 323.353 -0.650 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)N[C@@H]2CCC[C@H]3OCC[C@H]23)C1 1261471208 MFCUBJLDKJSOBD-JXFSHQFZSA-N 321.377 -0.063 30 20 DBED CNC(=O)CCN(C)C(=O)C(=O)NCC#Cc1ccccc1 1321631579 DXDNELBHXMIDPK-UHFFFAOYSA-N 301.346 -0.251 30 20 DBED COCCn1cc(CNC(=O)C(=O)N2CC[C@@](F)(C#N)C2)cn1 1323436111 QTQVTEYXBNYJQM-CQSZACIVSA-N 323.328 -0.390 30 20 DBED Cn1cnc(CNCCS(=O)(=O)c2ccc(C#N)cn2)n1 1326157247 XAOFGAOVNKULDI-UHFFFAOYSA-N 306.351 -0.355 30 20 DBED Cc1nccc(CNC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)n1 1326397331 NIBLTUKTUUAKRL-AWEZNQCLSA-N 303.322 -0.722 30 20 DBED C[C@@H]1CN(C(=O)C(=O)NC2CCN(CC#N)CC2)C[C@@]1(C)CO 1327968002 MYLLOVZJDXFDEG-WBMJQRKESA-N 322.409 -0.433 30 20 DBED C=CCn1cc(CNC(=O)C(=O)NCCN(C)[C@@H](C)CC)nn1 1328082339 WGMQGQLJFSWLDM-LBPRGKRZSA-N 322.413 -0.073 30 20 DBED COc1cc(NC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)ncn1 1328220586 MMGZBHIIXMOCLI-ZDUSSCGKSA-N 305.294 -0.699 30 20 DBED C=C[C@@H](C)ONC(=O)C(=O)c1cc(S(N)(=O)=O)cn1C 1329351919 ZBURXKSGZBNRSU-SSDOTTSWSA-N 301.324 -0.523 30 20 DBED COCC[C@H](C)CNC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1330327526 BJVUKQSWDIWZFL-GXTWGEPZSA-N 322.409 -0.026 30 20 DBED C[C@H](NC(=O)C(=O)NCc1cc(C#N)ccc1F)C(=O)N(C)C 1333946571 DOKZOOUSRPBSCF-VIFPVBQESA-N 320.324 -0.094 30 20 DBED C=CCN(C(=O)C(=O)N1C[C@H](OC)[C@H](OC)C1)[C@H](C)COC 1350278794 HRVXRVBAPAQWDX-UPJWGTAASA-N 314.382 -0.092 30 20 DBED C=CCCCCn1nnnc1N1CCN2C(=O)NC(=O)[C@@H]2C1 1352308139 OVZZDIDVVHGNNB-JTQLQIEISA-N 305.342 -0.230 30 20 DBED N#Cc1ccc(NCC(=O)NC[C@H](O)Cn2ccnn2)nc1 1363007201 QQCLWXURJGQBQH-NSHDSACASA-N 301.310 -0.866 30 20 DBED CN(CCCc1[nH]nc(N)c1C#N)c1cc(=O)n(C)c(O)n1 1364140415 ZDDKXCHSHRDMBC-UHFFFAOYSA-N 303.326 -0.268 30 20 DBED C[C@@H](CNC(=O)c1cnc(O)n1C)NC(=O)c1ccc(C#N)[nH]1 1373015918 JISCVOMTOZNRDL-QMMMGPOBSA-N 316.321 -0.126 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H]1CNC(=O)CCn1ccnn1 1374001548 ILYRPUCPQATOAZ-RYUDHWBXSA-N 304.354 -0.065 30 20 DBED CCn1ccc(CC(=O)NC[C@@H](O)CNC(=O)[C@@H](C)C#N)n1 1389094129 JDVPZHUMRDNSSR-CMPLNLGQSA-N 307.354 -0.802 30 20 DBED CC(=O)NCC(=O)NC[C@@H](C)CNC(=O)c1c[nH]c(C#N)c1 1391144550 LBNNIAJENJTTSU-SECBINFHSA-N 305.338 -0.495 30 20 DBED COC[C@@H](O)CN[C@H](CNC(=O)c1cc(C#N)c[nH]1)C1CC1 1398416676 VXTBSNWMGHBHIM-GXTWGEPZSA-N 306.366 -0.008 30 20 DBED CCN(CCC#N)C(=O)CN1CC(CNC(=O)c2cc[nH]n2)C1 1404856866 NJCVPKASBMKAJB-UHFFFAOYSA-N 318.381 -0.167 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](CNC(=O)c1c[nH]c(=O)cn1)C1CC1 1407704894 UPDGDIYELXXVFX-WCBMZHEXSA-N 303.322 -0.446 30 20 DBED C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)CS(=O)(=O)NC)C1 1410846590 IQYBSIGBNQFBSB-ZJUUUORDSA-N 309.819 -0.133 30 20 DBED CN(C[C@H](O)CNCc1cccc(C#N)c1)C(=O)c1cnn[nH]1 1411058368 LDEGYKHWTOIDJU-CYBMUJFWSA-N 314.349 -0.101 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(CCNC(=O)COCC2CC2)CC1 1414739344 NGEXGYMWWJVBHA-ZDUSSCGKSA-N 322.409 -0.167 30 20 DBED CCS(=O)(=O)CC(=O)NC1CN(C(=O)c2cc(C#N)c[nH]2)C1 1416006050 QKGMVBOIBFMGDP-UHFFFAOYSA-N 324.362 -0.738 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)CCCn1cccn1 1416766655 REYROXLETKPNEI-NWDGAFQWSA-N 307.354 -0.584 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@]1(C)CCN(C(=O)CCNC(N)=O)C1 1417366597 MXSWZIPPSSIIQA-IINYFYTJSA-N 309.370 -0.441 30 20 DBED C=C(Cl)CNC[C@H](O)CNC(=O)c1cnc(N(C)C)cn1 1420128019 NYWBDIRNTMXQIZ-JTQLQIEISA-N 313.789 -0.025 30 20 DBED C[C@@H](C(=O)NC(=O)NC1CC1)N1CC(CNC(=O)[C@H](C)C#N)C1 1421134672 YGXFLAUTPVXJMM-ZJUUUORDSA-N 321.381 -0.429 30 20 DBED C=C(Cl)CN1CC[C@](C)(NC(=O)CN2CCNC(=O)C2)C1 1421215301 DTONNSKWPWMUQC-AWEZNQCLSA-N 314.817 -0.249 30 20 DBED C[C@@H](NC(=O)NCCn1cc(C#N)c(O)nc1=O)[C@@H]1CCOC1 1427413938 SXCLSIJVFPXAGD-NXEZZACHSA-N 321.337 -0.455 30 20 DBED COCCN(CCNC(=O)[C@H](C)C#N)C(=O)c1ccn(C)n1 1428424125 NNRMXRXPDOPKHT-LLVKDONJSA-N 307.354 -0.215 30 20 DBED COc1ncnc(OC)c1C(=O)N1CC(NC(=O)[C@H](C)C#N)C1 1432333366 FFQBQCRYMWMZMY-MRVPVSSYSA-N 319.321 -0.406 30 20 DBED C=C(Cl)CNC1(CNC(=O)CN2CCC(=O)NC2=O)CC1 1446261550 VYQJWDXRFPWUMJ-UHFFFAOYSA-N 314.773 -0.081 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@@H]1CCN(C(=O)CN2CCCNC2=O)C1 1446648403 ZOIGEMKMWFXIOD-NWDGAFQWSA-N 321.381 -0.379 30 20 DBED Cc1nc(CC(=O)NC[C@@H](NC(=O)[C@H](C)C#N)C2CC2)n[nH]1 1447136610 NYXQBTJRXBBAPS-LDYMZIIASA-N 304.354 -0.174 30 20 DBED C=C(Cl)CNC[C@@H](C)N(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 1482337608 KBHDQCUPQGHQLZ-BDAKNGLRSA-N 302.762 -0.227 30 20 DBED N#CCNC(=O)CN[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 1490820592 MZQOLBBLHGFSAT-NSHDSACASA-N 300.322 -0.670 30 20 DBED C[C@@H]1C[C@@H](C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)CO1 1515131158 OUVRCLWCWBYEDT-GMTAPVOTSA-N 314.363 -0.623 30 20 DBED CCCS(=O)(=O)CC(=O)NC1(CNC(=O)[C@@H](C)C#N)CC1 1535886241 XUEMZWFZIRFULW-JTQLQIEISA-N 315.395 -0.264 30 20 DBED C=C[C@H](CO)NS(=O)(=O)c1cc(F)cc(-c2nn[nH]n2)c1 1573350364 ARUGPLBTDAORDO-SECBINFHSA-N 313.314 -0.169 30 20 DBED Cc1nc(C)n(C2CN(c3cnc(-c4nn[nH]n4)c(C#N)n3)C2)n1 1581446670 HTSRSEGNORJRPR-UHFFFAOYSA-N 323.324 -0.202 30 20 DBED C[C@]1(C(=O)O)CCCN1C(=O)CCn1cc(C#N)c(O)nc1=O 1589184471 XGSKEVMVGJMCPV-CQSZACIVSA-N 320.305 -0.324 30 20 DBED CC1(C#N)CN(S(=O)(=O)c2ccc(-c3nn[nH]n3)cn2)C1 1590056292 FOWZWIFJASPOES-UHFFFAOYSA-N 305.323 -0.204 30 20 DBED N#Cc1c(-c2nn[nH]n2)nc(N)n1CC(=O)Nc1ccccn1 1592681754 HRPOEUYUDPOZGG-UHFFFAOYSA-N 310.281 -0.449 30 20 DBED O=C(Cc1ccc(-c2nn[nH]n2)nc1)N[C@H]1CCCN(O)C1=O 1592916225 YQROLRITPSJKMP-JTQLQIEISA-N 317.309 -0.699 30 20 DBED Cn1cc([C@H]2C[C@@H](C(=O)O)CN(CC(=O)NCC#N)C2)cn1 1594537969 JXNDOJBCIRVDTB-WDEREUQCSA-N 305.338 -0.450 30 20 DBED C#CCN(CC(=O)O)C(=O)C(=O)Nc1cccc(C(=O)OC)n1 1602678638 COUUIBLYASFUDM-UHFFFAOYSA-N 319.273 -0.647 30 20 DBED C=C1CC(C)(C(=O)N2CC(O)(CNC(=O)[C@H]3C[C@H]3C(=O)O)C2)C1 1602791302 JXCXBJDZPXAPSE-WDEREUQCSA-N 322.361 -0.247 30 20 DBED C=CCOC[C@H](NC(=O)[C@]1(C)CCCS1(=O)=O)C(=O)O 1602910421 YQRZGXJRCVDYCC-CABZTGNLSA-N 305.352 -0.274 30 20 DBED C[C@@H]1CCN(c2cnc(-c3nn[nH]n3)c(C#N)n2)C[C@H]1CO 1603910691 WDFLPGZMRAGOQG-BDAKNGLRSA-N 300.326 -0.017 30 20 DBED Cc1cc(NC(=O)C(=O)NC2(C(=O)O)CC2)nn1CCC#N 1607672500 QQTYMTWIMLBMSI-UHFFFAOYSA-N 305.294 -0.223 30 20 DBED N#Cc1cc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)O)cs1 1608193595 JGDHVSKYYBIQRN-VIFPVBQESA-N 314.344 -0.056 30 20 DBED C#CCNC(=O)N1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 1609021342 UACPCDQKIJMEIM-UHFFFAOYSA-N 312.337 -0.274 30 20 DBED CNC(=O)[C@H]1CN(S(=O)(=O)c2cncc(C#N)c2)CCO1 1649809455 IGZCLYRQTFOBLU-LLVKDONJSA-N 310.335 -0.911 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@H](NC(=O)C2CCN(C)CC2)C1 1715001102 XOUYAALRLWYPIB-HIFRSBDPSA-N 320.437 -0.343 30 20 DBED C=CCN1CC[C@H](N[C@@H](C)CCNC(=O)c2cnn[nH]2)C1=O 1733905857 FJUNXRZMWQIIKU-QWRGUYRKSA-N 306.370 -0.310 30 20 DBED CC(C)N(CCCNC(=O)c1cnn[nH]1)CC(=O)NCC#N 1753288413 OVLGKRJLFZGWKS-UHFFFAOYSA-N 307.358 -0.725 30 20 DBED C=CCC(C)(C)C(=O)NC[C@H](O)CN[C@H](C)c1nnnn1C 1753928435 FPJRQBKYWUECAD-GHMZBOCLSA-N 310.402 -0.060 30 20 DBED C[C@@H](CCNCCCN1C(=O)CNC1=O)NC(=O)C#CC1CC1 1753964736 MIUNLDOVSJRXIC-LBPRGKRZSA-N 320.393 -0.174 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@H](C)NC(=O)c1cncc(C#C)c1 1754282725 LARPURWBGRZBCE-STQMWFEESA-N 312.373 -0.091 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@]1(C)CCN(Cc2nnn(C)n2)C1 1754669641 DOSMVDMKROUTPP-SMDDNHRTSA-N 306.370 -0.671 30 20 DBED C[C@@]1(CNC(=O)C[C@H]2CC(=O)NC2=O)CCCN(CC#N)C1 1754735100 UVULPZCYDSJUBI-NHYWBVRUSA-N 306.366 -0.219 30 20 DBED C=C(C)CNC[C@@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@@H]1C 1754817219 MJIFSFYJYZQLSB-UONOGXRCSA-N 308.426 -0.322 30 20 DBED N#CCNC(=O)CN1CCOC[C@H]1CNC(=O)C1=CCCC1 1754965129 ISWOSZGBCOHJMS-CYBMUJFWSA-N 306.366 -0.447 30 20 DBED C#CCCNC[C@H]1CN(C(=O)c2c(C)ncnc2O)CCO1 1755010637 ILLJFNBCTXBWJN-LBPRGKRZSA-N 304.350 -0.055 30 20 DBED C#CCNC(=O)CN1CC2(C[C@@H](NC(=O)C=C(C)C)CO2)C1 1755056493 DFUNPAVBARUTSI-CYBMUJFWSA-N 305.378 -0.339 30 20 DBED C#CCN(C)C[C@@H]1CCCN1C(=O)CN(C)S(=O)(=O)CC 1755200511 HQMGSJTWWAHDRQ-ZDUSSCGKSA-N 315.439 -0.176 30 20 DBED Cc1noc(C)c1CC(=O)N[C@@H](C)[C@@H](C)NCC(=O)NCC#N 1755266163 DQJCLWZKDCBMKG-ZJUUUORDSA-N 321.381 -0.043 30 20 DBED C#CCNC(=O)CN(C)[C@H](C)CNC(=O)CCc1ccnn1C 1755301231 HJEARURJBNBKGI-CYBMUJFWSA-N 319.409 -0.461 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2cnnn2C)C(C)(C)C1 1755409168 ZVRNVDNMRRVNEJ-GFCCVEGCSA-N 318.381 -0.995 30 20 DBED CC(C)C#CC(=O)NC[C@H](CO)NCc1nc(C2CC2)n[nH]1 1755628907 YCBCNNPSTGTNCO-GFCCVEGCSA-N 305.382 -0.092 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C[C@@H](O)CN(C)Cc1n[nH]c(C)n1 1755800414 HXNCQLVILMWLRR-YPMHNXCESA-N 323.397 -0.597 30 20 DBED C=C(C)CN(C)C[C@H](O)CN(C)C(=O)CN1CCOCC1=O 1755801604 FRNFWUDYWDEIIW-ZDUSSCGKSA-N 313.398 -0.828 30 20 DBED C#CCCCC(=O)NC[C@@H](CO)NC(=O)[C@@]1(F)CCOC1 1756515011 DGWUHYIPSWQQQY-SMDDNHRTSA-N 300.330 -0.488 30 20 DBED C=C[C@@H](CC)CC(=O)NC[C@H](CO)NC(=O)c1nnn(C)c1C 1756544403 ZZLHVPGYZMUKRJ-NWDGAFQWSA-N 323.397 -0.067 30 20 DBED C#CCCCC(=O)NC[C@H](O)CN(C)C(=O)[C@@H]1CCCNC1=O 1756666768 GBFUMHBFOTZJLD-QWHCGFSZSA-N 323.393 -0.748 30 20 DBED C=CCCCC(=O)N(C)C[C@@H](O)CNC(=O)c1cn(C)nn1 1756675853 CKQXSDFPRORHLH-NSHDSACASA-N 309.370 -0.280 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@@H]2CN(C(=O)COC)C[C@@H]2C1 1757465174 HYIRGQFMWVOTKR-MCIONIFRSA-N 308.378 -0.022 30 20 DBED CN1CCN(CCCS(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 1771832898 SPPQRFSOJRWDNV-ZDUSSCGKSA-N 316.427 -0.822 30 20 DBED C/C=C(/C)C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1783087127 XNAKXODEKCYMFE-DIBSAPDKSA-N 320.345 -0.130 30 20 DBED C=CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CNC(=O)C1)CCO2 1783922701 YDDVLSHZNJCTNM-MLGOLLRUSA-N 321.377 -0.472 30 20 DBED N#CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnoc1 1796524917 NAAXCKFIGBIAIW-PTEHBNRSSA-N 304.306 -0.209 30 20 DBED C=C[C@@H](O)C(C)(C)C(=O)N1CC2(CCCN2C(=O)C(O)O)C1 1841235962 XUTMQBKEHIGNHZ-SNVBAGLBSA-N 312.366 -0.926 30 20 DBED CCC1(C(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)COC1 1845910302 FBBBHJSJZZKHHI-UHFFFAOYSA-N 320.345 -0.296 30 20 DBED C#CCN(CC)C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C 56358711 AVSPHHKVNMCABF-UHFFFAOYSA-N 300.318 -0.273 30 20 DBED Cn1ncc2c(N3CCN(CC(=O)NCC#N)CC3)ncnc21 108851628 CPXWOBWQIYMPEX-UHFFFAOYSA-N 314.353 -0.875 30 20 DBED Cc1nccn1CCCN(C)c1c(C#N)c(=O)n(C)c(=O)n1C 120177310 APMUHWBCNOVUQX-UHFFFAOYSA-N 316.365 -0.013 30 20 DBED C/N=C(/NCC(=O)N(C)C)NCc1nnc2n1CCCCC2 262182577 FQTPYXBPMJRZNE-UHFFFAOYSA-N 307.402 -0.242 30 20 DBED C/N=C(/NC[C@H]1CN2CCN1CC2)N1CCN(CC(C)C)CC1 262805379 SMTFEWZLBNXVEH-INIZCTEOSA-N 322.501 -0.165 30 20 DBED COC[C@](C)(C#N)NC(=O)CN(C)c1ncnc2nc[nH]c12 269515715 DHFQPZBVSNEEPZ-ZDUSSCGKSA-N 303.326 -0.166 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H]2C[C@@H](C)O)C1=O 269864791 DRSALJUHONDXKL-GHMZBOCLSA-N 323.349 -0.275 30 20 DBED C[C@H](CN1CCOCC1)N(C)c1c(C#N)c(=O)n(C)c(=O)n1C 278831433 KCHIRKGAHQTDAN-LLVKDONJSA-N 321.381 -0.887 30 20 DBED CNS(=O)(=O)c1cc(C(=O)NCC#CCO)ccc1OC 282869834 ILINHMHHZCSTTB-UHFFFAOYSA-N 312.347 -0.671 30 20 DBED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)NCC(=O)N(C)CC 288660409 AOCABGZBMFXRGN-DGCLKSJQSA-N 311.382 -0.322 30 20 DBED C#CCOc1ccccc1NC(=O)C(=O)N[C@@H](C)C(=O)NC 293434156 QREGBXLSXHQQGK-JTQLQIEISA-N 303.318 -0.112 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(c2ccc(C(N)=O)cn2)CC1 298774087 UVWIEIQWOZPALS-LBPRGKRZSA-N 317.393 -0.007 30 20 DBED COCCN/C(N)=N/CCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 304961116 YXPFNGWJMHJMOT-NNYUYHANSA-N 306.366 -0.656 30 20 DBED C[C@H](/C(O)=N/C1CC1)N1CCN(C(=O)Cn2cnnn2)CC1 328991053 DDFXROKHJHRHBH-SNVBAGLBSA-N 307.358 -0.675 30 20 DBED CS(=O)(=O)N[C@H]1CCN(/C(O)=N/CC2=CCCOC2)C1 329349409 WLIDARFLTOMEGN-NSHDSACASA-N 303.384 -0.129 30 20 DBED CN(C)c1noc(C/N=C(/O)N[C@@H]2CCc3ncnn3C2)n1 329677398 VEDFIYPZPZHAHN-MRVPVSSYSA-N 306.330 -0.254 30 20 DBED C[C@H](C/N=C(/O)NC[C@@H]1CCCS1(=O)=O)N1CCOCC1 330074831 LJCBLHPTMHXCCV-NEPJUHHUSA-N 319.427 -0.212 30 20 DBED CS(=O)(=O)CC(=O)N1CCN(c2ccc(C#N)cn2)CC1 330401082 UQGBFSNIFNZWFL-UHFFFAOYSA-N 308.363 -0.354 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N1CCN(CCCO)CC1 330411415 LGLBWXROLALBLL-LBPRGKRZSA-N 304.416 -0.535 30 20 DBED CC(C)NS(=O)(=O)CC/N=C(/O)N[C@@H]1CCC(=O)N(C)C1 330884163 KMCNPOFNZVOEFJ-SNVBAGLBSA-N 320.415 -0.561 30 20 DBED CC1(CO)CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)CC1 336882617 CBOSDDNWKBUJJA-LLVKDONJSA-N 303.384 -0.450 30 20 DBED C=CCN(CCC#N)C(=O)C(=O)Nc1ccn(CCN(C)C)n1 340617324 PKOJQAYBTXWPTA-UHFFFAOYSA-N 318.381 0.311 30 20 DBED Cc1c(C#N)cccc1NC(=O)C(=O)NC[C@@]1(O)CCN(C)C1 358384589 ZGRMWJRQIGWFFH-INIZCTEOSA-N 316.361 -0.012 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CN(C)C[C@H]2C)CC1 362450082 CRVBALOBYMDCLD-ZIAGYGMSSA-N 308.426 -0.370 30 20 DBED COc1cc(C#N)ccc1OCC(=O)N1C[C@H](O)C[C@H]1CO 366630501 MPEXALIJTVRDPO-NWDGAFQWSA-N 306.318 -0.100 30 20 DBED N#Cc1ccccc1N1CCN(C(=O)C(=O)NCCN)CC1 419817759 MOUODRAISFJJDM-UHFFFAOYSA-N 301.350 -0.718 30 20 DBED N#Cc1cc(S(=O)(=O)N2C[C@@H](O)[C@H](O)C2)ccc1Cl 434757839 QSRZGDDMQWKJTM-GHMZBOCLSA-N 302.739 -0.062 30 20 DBED CC(C)N1C[C@H](NC(=O)CNc2ccc(C#N)cn2)CC1=O 448861989 RBRDHIYRIDVTTI-GFCCVEGCSA-N 301.350 0.491 30 20 DBED COc1cc(C#N)ccc1S(=O)(=O)NC[C@H]1COCCN1 528053138 IBPODIGJYHOPAC-NSHDSACASA-N 311.363 -0.166 30 20 DBED Cc1nn(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)c(=O)n1C 594260551 ZZTSMGGKBOAFKS-CYBMUJFWSA-N 320.397 -0.417 30 20 DBED C[C@@H]1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)C[C@H]1CO 598624120 DYBDESIZFHFENH-GRYCIOLGSA-N 303.384 -0.594 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(CC)C[C@@H]2CCOC2)C1=O 623192393 FCASBGHXPXDLKZ-NSHDSACASA-N 323.349 -0.152 30 20 DBED C[C@H]1CN(c2cccc(S(N)(=O)=O)c2C#N)C[C@@H](CO)O1 755032104 QVGQIMZZKVXDJA-UWVGGRQHSA-N 311.363 -0.208 30 20 DBED C[C@H](NS(C)(=O)=O)C(=O)OCC(=O)N[C@@](C)(C#N)C1CC1 758475893 DXKNDFKKFINWCU-UFBFGSQYSA-N 317.367 -0.724 30 20 DBED C=CCS(=O)(=O)CCNC(=O)NCCc1ccnn1C 762580989 CXXIQGPEWZMWGJ-UHFFFAOYSA-N 300.384 -0.137 30 20 DBED COC(=O)Cn1cccc1C=NN=c1nc2[nH][nH]cc-2c(O)n1 776185508 CBVAAHSJHYCWHY-UHFFFAOYSA-N 315.293 -0.148 30 20 DBED C[C@H](NS(C)(=O)=O)C(=O)O[C@H](C)C(=O)NC1(C#N)CCC1 787767429 NKVGEWQUSCTODW-DTWKUNHWSA-N 317.367 -0.582 30 20 DBED COCCCNC(=O)[C@@H](C#N)C(=O)COCc1ccnn1C 793123106 MGULAFVRNFQQCX-LBPRGKRZSA-N 308.338 -0.202 30 20 DBED C#C[C@@H](NC(=O)C(=O)NCCc1cnccn1)[C@H]1CCCO1 793487135 IXNFSNUTKNVCIC-CHWSQXEVSA-N 302.334 -0.568 30 20 DBED C#CCOCCNS(=O)(=O)c1ccc(S(C)(=O)=O)nc1 795159374 IOHLGIXTGNNRJV-UHFFFAOYSA-N 318.376 -0.587 30 20 DBED C#CC[C@H](CO)NC(=O)c1cc(S(=O)(=O)NC)oc1C 816673002 PBBCYYUFDQRICI-SECBINFHSA-N 300.336 -0.390 30 20 DBED CC(C)(C(N)=O)N1CCN(C(=O)[C@@](C)(C#N)CC(=O)O)CC1 819821909 KEEWMWRLTRDQGE-CQSZACIVSA-N 310.354 -0.601 30 20 DBED C[C@@](C#N)(CC(=O)O)C(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 819832362 AYYWHWWIAYDKPE-CABZTGNLSA-N 317.367 -0.611 30 20 DBED C=C[C@H](O)C(=O)NC[C@H]1CSCCN1C(=O)[C@@H](O)C=C 831581794 QTYALWDYKMJZDT-DCAQKATOSA-N 300.380 -0.860 30 20 DBED C#C[C@@H](NC(=O)CCN1C(=O)CCNC1=S)[C@H]1CCCO1 847758805 OPBDSIDTCWCLKT-GHMZBOCLSA-N 309.391 -0.220 30 20 DBED C#CCCN(CCOC)C(=O)N[C@H]1CCN(S(C)(=O)=O)C1 854212321 YZXZNKCWBUOTGB-LBPRGKRZSA-N 317.411 -0.298 30 20 DBED N#C[C@@H]1CNC[C@@H]1NC(=O)[C@H]1CNC(=O)C[C@@H]1C(F)(F)F 876803229 VOWRKNQGHMVTJF-XGEHTFHBSA-N 304.272 -0.471 30 20 DBED CN(CCO)CCNS(=O)(=O)c1ccc(F)c(C#N)c1 885805614 VKYTXLOJERYEMP-UHFFFAOYSA-N 301.343 -0.100 30 20 DBED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@@H]1CO 889126350 SIXVCYYGYRPKNW-SNVBAGLBSA-N 323.374 -0.292 30 20 DBED C#CCN1CCC[C@H](NC(=O)N2CCO[C@@H](CNC(C)=O)C2)C1 890370665 DZIMSJSFCWBXDQ-GJZGRUSLSA-N 322.409 -0.370 30 20 DBED C#CC1(O)CN(C(=O)N[C@@H]2CCCN(c3ccn(C)n3)C2=O)C1 893277517 ZJGLTHQSCDSGEJ-LLVKDONJSA-N 317.349 -0.695 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2nc(CC)no2)CC1 902627644 HLOKRYAKGVGDFY-UHFFFAOYSA-N 305.338 -0.861 30 20 DBED C#CCN1CCC(NC(=O)[C@H](C)NS(=O)(=O)CC)CC1 928651160 PBZOWHVDXKERDT-NSHDSACASA-N 301.412 -0.472 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2cnnn2C)C1 936113084 CTLUIJCEIHSIRU-WZRBSPASSA-N 319.365 -0.263 30 20 DBED O=C(CN1CCOCC1)N[C@H]1CCN(C(=O)C#CC2CC2)C1 937847495 WUCSDSCXMTYGNW-AWEZNQCLSA-N 305.378 -0.551 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@@H](NC(=O)C[C@@H]2CC(=O)NC2=O)C1 941483427 NNQCZCFZDAMTDT-GHMZBOCLSA-N 321.377 -0.032 30 20 DBED N#CCN1CCOC2(CCN(C(=O)CN3CCCC3=O)CC2)C1 949291626 NTGUQWJQAQPSGE-UHFFFAOYSA-N 320.393 -0.174 30 20 DBED Cn1nncc1C(=O)N1CCC2(CC1)CN(CC#N)CCO2 949355552 RIEQNEFTLQHUEY-UHFFFAOYSA-N 304.354 -0.354 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](CNC(=O)c2cn(CCOC)nn2)C1 958064443 SYMSWMYPDPIALR-TZMCWYRMSA-N 323.397 -0.477 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](CNC(=O)c2cccn3nnnc23)C1 958090972 DHFCYYVBFQJDJW-DGCLKSJQSA-N 316.365 -0.277 30 20 DBED CC#CCN1C[C@H](CNC(=O)c2cn(C)nc2COC)[C@@H](O)C1 958190553 IRESNMOOAJZHDQ-WFASDCNBSA-N 320.393 -0.388 30 20 DBED C=CCN1C[C@@H](O)[C@@H](CNC(=O)c2nc3ncccn3n2)C1 958507242 NHIOOQMUUKYGKP-WDEREUQCSA-N 302.338 -0.667 30 20 DBED CC#CCN1C[C@@H](O)[C@@H](CNC(=O)c2c(C)nn(C)c2F)C1 958631811 XKWOEBDWOXPHBW-NWDGAFQWSA-N 308.357 -0.087 30 20 DBED CC#CCN1C[C@H]2C(NC(=O)C[C@@H]3CCS(=O)(=O)C3)[C@@H]2C1 960894791 UTTZDGXKVXWHRO-YNEHKIRRSA-N 310.419 -0.119 30 20 DBED C#CCN1C[C@H]2C(NC(=O)[C@@H]3CN4CC5CC4(CO3)C5)[C@@H]2C1 961284291 SCQQYEANBJJDEC-JEFPAAPESA-N 301.390 -0.471 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CN(C(=O)c3cc(=O)n(C)o3)C[C@H]2C1 961450606 OUOLYNGNDHNQCO-MXWKQRLJSA-N 318.333 -0.332 30 20 DBED C=CCCN1C[C@H]2C(NC(=O)c3cnc(O)n(C)c3=O)[C@@H]2C1 961462839 YGDXDDRNOUVZTJ-GHMZBOCLSA-N 304.350 -0.278 30 20 DBED N#CCN1C[C@@H]2C(NC(=O)c3ccnc(-n4cncn4)c3)[C@H]2C1 963014547 GBMNJDFTWOJULV-RYUDHWBXSA-N 309.333 -0.154 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)c2cn3c(n2)CCC3)C1 964620496 GYSZLNNQZAFQNK-UMNHJUIQSA-N 317.349 -0.710 30 20 DBED CC1(C)CN(C(=O)C(N)=O)CC[C@H]1NC(=O)c1c[nH]c(C#N)c1 967022310 YMNCRABZKJBDNH-LLVKDONJSA-N 317.349 -0.271 30 20 DBED CCN(C(=O)[C@H]1CN(C)CCO1)C1CN(C(=O)[C@H](C)C#N)C1 967855410 OCBZIMJMURVBBT-DGCLKSJQSA-N 308.382 -0.464 30 20 DBED C=C(Cl)CN[C@@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)C1 970474803 FZHJNYVUGZIMOS-SECBINFHSA-N 322.756 -0.026 30 20 DBED C=CCN1CC[C@H](N[C@@H]2CCN(C(=O)Cn3cncn3)C2)C1=O 970658459 HMNIDEVRAATTOI-OLZOCXBDSA-N 318.381 -0.745 30 20 DBED Cn1ncc(CCC(=O)N2CC[C@]3(CN(CC#N)CCO3)C2)n1 972554659 SGSINTKVPWFRAG-HNNXBMFYSA-N 318.381 -0.425 30 20 DBED CN(C)C(=O)CN1C[C@@H]2C(CNC(=O)c3cc(C#N)c[nH]3)[C@H]2C1 977973501 HOHNEJXVTLRALS-CHWSQXEVSA-N 315.377 -0.118 30 20 DBED N#Cc1c[nH]c(C(=O)N2C[C@H]3[C@@H](NC(=O)C(N)=O)CC[C@H]3C2)c1 979768627 FLPSSEYUHPUSMT-AXFHLTTASA-N 315.333 -0.662 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H](N(C)C(=O)Cn2ncnn2)C1 984584235 GNSBBZRBMRCMID-WDEREUQCSA-N 305.342 -0.718 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H]2CCCCCN(C(=O)C(N)=O)C2)c1 987133608 DFHHBOLKRRTFIO-NSHDSACASA-N 317.349 -0.127 30 20 DBED CN(C[C@@H]1CCN(C(=O)C#CC2CC2)C1)C(=O)[C@H]1CNC(=O)N1 987990072 DVYXWCCXWLPKTH-QWHCGFSZSA-N 318.377 -0.612 30 20 DBED N#Cc1ccc(C(=O)NC2CN(C(=O)CO[C@H]3CCOC3)C2)[nH]1 990888036 QDBGRFQSTIAFRR-LBPRGKRZSA-N 318.333 -0.368 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)Cc2n[nH]c(C)n2)C1 991282272 PQSIKMWSGGLZQQ-NEPJUHHUSA-N 319.365 -0.426 30 20 DBED C=CCCN1CCC[C@H](NC(=O)c2cn(CC(N)=O)nn2)[C@H]1C 994489156 SXIQEPCQPSKGQS-NEPJUHHUSA-N 320.397 -0.078 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(NC(=O)Cn2cncn2)C1 1000122788 JGDKYJUSBVCHNK-JSGCOSHPSA-N 319.365 -0.414 30 20 DBED C[C@H](C#N)C(=O)N1CC([C@@H](C)NC(=O)c2cn(C)c(O)n2)C1 1006786066 MKYVHCUWPAWZOK-RKDXNWHRSA-N 305.338 -0.138 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](NC(=O)Cn2cnnc2O)C(C)(C)C1 1008060570 ZQYGLVRLKPVJMK-NXEZZACHSA-N 320.353 -0.503 30 20 DBED C[C@@H]1[C@H](NC(=O)c2cn(C)nn2)CCN1C(=O)C#CC1CC1 1011739417 POOTYSKLFGEOGQ-ZYHUDNBSSA-N 301.350 -0.052 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2C(NC(=O)c3cc[n+]([O-])cc3)[C@H]2C1 1012725870 PQBJBTVVQVOOJX-USWWRNFRSA-N 300.318 -0.334 30 20 DBED N#CCN1CCC2(CC1)C[C@@H]2NC(=O)CN1CCC(=O)NC1=O 1016919873 OXBPMBFWZLWALJ-NSHDSACASA-N 319.365 -0.577 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(C1)CN(C(=O)[C@@]1(C)CCNC1=O)C2 1019438054 FTCRTKUFHAWUEE-NHYWBVRUSA-N 318.377 -0.267 30 20 DBED C[C@H](C#N)C(=O)N1CCCO[C@@H](CNC(=O)c2ncn(C)n2)C1 1019581288 SVNYKLDPBRBBLY-MNOVXSKESA-N 320.353 -0.678 30 20 DBED C#CCOc1ncccc1C(=O)N1CC[C@H](N[C@@H](C)C(N)=O)C1 1019673373 PDWJFGCOBIHLOL-RYUDHWBXSA-N 316.361 -0.229 30 20 DBED C[C@H]1[C@@H](NC(=O)CN2CCCNC2=O)CCN1C(=O)[C@H](C)C#N 1020535538 LPZNRAWAVXVJNU-WOPDTQHZSA-N 321.381 -0.333 30 20 DBED C=CCN1[C@H]2CC[C@H]1CC(NC(=O)C[C@@H]1NC(=O)NC1=O)C2 1021284811 VVALLOPVOZUZTR-SRVKXCTJSA-N 306.366 -0.118 30 20 DBED C#CCN1[C@H]2CC[C@H]1CC(NC(=O)C[C@@H]1CC(=O)NC1=O)C2 1021476651 LUCQUMDSMNZPBN-WXHSDQCUSA-N 303.362 -0.216 30 20 DBED C=CCCn1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)C3CC3)C2)nn1 1022868811 XDUAKJSPNDJSMT-DGCLKSJQSA-N 319.365 -0.434 30 20 DBED C[C@@H](NC(=O)c1cnc(O)n(C)c1=O)[C@H]1CCCN(CC#N)C1 1025505410 HIJUOCKKENZCIB-MNOVXSKESA-N 319.365 -0.160 30 20 DBED C[C@H](NC(=O)c1cn(CC(N)=O)nn1)[C@H]1CCCN(CC#N)C1 1025630105 PAAFRTBSRMXORJ-QWRGUYRKSA-N 319.369 -0.883 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)Cc3nonc3C)C2)C1=O 1031183543 VIUODAFSZJVOPG-CYBMUJFWSA-N 319.365 -0.492 30 20 DBED C#CCN1C[C@@H]2C[C@H]1CN2C(=O)CN1C(=O)NC(=O)C1(C)C 1032715843 KITOEBPZBPFWJD-QWRGUYRKSA-N 304.350 -0.765 30 20 DBED C#CCCN1CC[C@H](N(C)C(=O)CN2C(=O)CN(C)C2=O)C1 1033641585 AFRAXFOTKWLXHC-LBPRGKRZSA-N 306.366 -0.564 30 20 DBED C#CCCN1CCO[C@@H](CNC(=O)[C@H]2COCCN2C(C)=O)C1 1035607702 VNCQKVZRNRUZTR-LSDHHAIUSA-N 323.393 -0.926 30 20 DBED C#CCCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1cnc(O)n(C)c1=O 1037542310 MXZLDLKSSGEBRT-ADEWGFFLSA-N 302.334 -0.688 30 20 DBED CC#CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1cc(=O)n2[nH]cnc2n1 1037671860 ITXUAYPIUOCVQS-SUZMYJTESA-N 312.333 -0.757 30 20 DBED CC(C)C#CC(=O)N1CC[C@@](O)(CNC(=O)c2ncccn2)C1 1040673198 LDDQTJYJXLXPQD-MRXNPFEDSA-N 316.361 -0.171 30 20 DBED Cc1nc[nH]c1C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1O 1041088080 UANOKNCQXZWNRE-GHMZBOCLSA-N 313.321 -0.641 30 20 DBED N#CCSCC(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2C2CC2)C1 1041575549 XUJFDYJUUMHZIS-NWDGAFQWSA-N 323.418 -0.021 30 20 DBED N#Cc1nc(=N[C@@H]2C[C@H]3CC[C@H]2N(C(=O)CC(N)=O)C3)cc[nH]1 1041650957 FNORHJDSWWKQEZ-GMTAPVOTSA-N 314.349 -0.563 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CN3CCC2CC3)C1 1041959874 BZGICGZJPKQINT-CQSZACIVSA-N 321.421 -0.016 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(O)CN(C(=O)[C@H]2CCOC2)C1 1042807840 ZOLHAWPZYYRLIC-SMDDNHRTSA-N 312.366 -0.961 30 20 DBED CN(C)CCC(=O)N1CC(O)(CNC(=O)C#CC(C)(C)C)C1 1042965743 HZQZCNIIWIDYET-UHFFFAOYSA-N 309.410 -0.323 30 20 DBED CC(C)(C)C#CC(=O)NCC1(O)CN(C(=O)c2n[nH]cc2F)C1 1042968466 LMWFQNUDELBRFR-UHFFFAOYSA-N 322.340 -0.099 30 20 DBED O=C(C#CC1CC1)N1CC(O)(CNC(=O)[C@@]23COC[C@@H]2C3)C1 1043363142 XCJIJEQFUVLPAR-LRDDRELGSA-N 304.346 -0.874 30 20 DBED C=CCCn1cc(C(=O)N2CC[C@@H](NCC(N)=O)C[C@H]2C)nn1 1044771648 MHNXYOAGUQPQEF-VXGBXAGGSA-N 320.397 -0.078 30 20 DBED C=C(C)CN1CCC(C)(NC(=O)c2cn(CC(N)=O)nn2)CC1 1045645929 LTFVQPGXRZKYEN-UHFFFAOYSA-N 320.397 -0.076 30 20 DBED N#CCN1CC[C@H](N2CCN(C(=O)C3=COCCO3)CC2)C1 1046000811 ZDVSPFAELSUELF-ZDUSSCGKSA-N 306.366 -0.383 30 20 DBED C#CCN1CC[C@H](N2CCN(C(=O)[C@]3(C)CNC(=O)C3)CC2)C1 1046047525 SIOGPJSQTPLVIO-YOEHRIQHSA-N 318.421 -0.636 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 1046737508 SOIFYSNZDOLGQS-ZJUUUORDSA-N 309.366 -0.991 30 20 DBED N#CCN1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 1046968416 GFPBXKBRWSPEKN-IUCAKERBSA-N 301.297 -0.735 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cc3n(n2)CCO3)C1 1047410159 DWSUNGAWLMOLAW-STQMWFEESA-N 304.350 -0.584 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C(=O)NC)nc2)C1 1047599110 HYUZTCRHWJEIIP-KBPBESRZSA-N 318.377 -0.256 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C(N)=O)cs2)C1 1047639765 NZGYCUWNVVHHKK-RYUDHWBXSA-N 321.402 -0.013 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cc2nnc(C)o2)C1 1048782954 ZIRWJRXQUYXWHC-RYUDHWBXSA-N 322.365 -0.083 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)c2cccc(O)n2)C[C@@H]1O 1049388708 PAJGUAPFOYAEDK-DLOVCJGASA-N 318.333 -0.409 30 20 DBED C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)CN1CCNC(=O)C1 1049638358 LGXCEXAFONMUGH-ZIAGYGMSSA-N 304.394 -0.883 30 20 DBED C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)CN1CC(=O)N(C)C1=O 1049840803 ORAWQQXXSHKPET-OLZOCXBDSA-N 318.377 -0.421 30 20 DBED C#CCCN1CCOC[C@H]1CNC(=O)[C@@H]1CCCN1CC#C 1050962292 IJYLQTYJFRNMSB-CVEARBPZSA-N 303.406 -0.076 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)[C@H]1CN(C(C)C)CCO1 1051082351 YWEOEEZCQUAROY-LSDHHAIUSA-N 309.410 -0.454 30 20 DBED C=CCOCC(=O)N1C[C@@H](C)[C@H](CNC(=O)CC(=O)NC)C1 1052221375 PYHUFZKWEHTDAZ-VXGBXAGGSA-N 311.382 -0.464 30 20 DBED C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1CNC(=O)C(N)=O 1052391342 LJQCTXVJZBOTRT-PSASIEDQSA-N 303.322 -0.804 30 20 DBED Cc1csc(=O)n1CC(=O)N1CCOC2(CN(CC#N)C2)C1 1053529379 XWTGXQGGCZIJMY-UHFFFAOYSA-N 322.390 -0.345 30 20 DBED C=CCCN1CC2(C[C@H](NC(=O)c3nnc(O)nc3O)CO2)C1 1053858472 HPNVLIJZUDJTSC-VIFPVBQESA-N 321.337 -0.568 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)[C@@H]3CN(C(C)C)CCO3)CO2)C1 1053904564 PXRLFLCQEUQJSA-CABCVRRESA-N 321.421 -0.312 30 20 DBED CO[C@@H](C)C(=O)N[C@]1(CO)CCCN(C(=O)C#CC2CC2)C1 1055807453 YSFCLQCHKAWIFY-BLLLJJGKSA-N 308.378 -0.096 30 20 DBED CN1C[C@H](C(=O)N2CCN(c3ccc(C#N)nn3)CC2)CC1=O 1056057344 SUVPVLZUYJTLTP-LLVKDONJSA-N 314.349 -0.525 30 20 DBED C=CCOCC(=O)N1CC[C@H]2[C@H]1CCCN2C(=O)CC(=O)NC 1056363944 QCKDWBLJEKAVQM-OLZOCXBDSA-N 323.393 -0.083 30 20 DBED N#Cc1nc(N2C[C@H]3C(NC(=O)C(N)=O)[C@@H]3C2)sc1Cl 1056381623 ACYMGYSPEYZPRE-RFZPGFLSSA-N 311.754 -0.296 30 20 DBED C#CCOCCC(=O)N1CCC[C@H]2[C@H]1CCN2C(=O)CC(N)=O 1056403749 ZYVJTLKJDSEOOY-QWHCGFSZSA-N 321.377 -0.506 30 20 DBED CN(c1cncc(C#N)n1)[C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 1057033584 XVKZYBRRYOLFTP-UTUOFQBUSA-N 314.349 -0.493 30 20 DBED C=CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)[C@H](C)OC 1057114940 WJFUIAGPVAYJNC-RYUDHWBXSA-N 302.371 -0.451 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)C[C@H]1CCOC1 1057194077 XXJPXWQNMIRUDQ-CYBMUJFWSA-N 314.382 -0.447 30 20 DBED C=CC(C)(C)C(=O)NCCN(CCO)C(=O)c1nnn(C)c1C 1057259470 DUAQRRPSNCQCSS-UHFFFAOYSA-N 323.397 -0.114 30 20 DBED O=C(C#CC1CC1)NCCN(CCO)C(=O)CCn1ccnn1 1057433333 MFHNSVIHPMSMNB-UHFFFAOYSA-N 319.365 -0.981 30 20 DBED CC[C@H](NC(C)=O)C(=O)NCCN(CCO)C(=O)C#CC1CC1 1057535951 IJPBCFMADBSAIV-AWEZNQCLSA-N 323.393 -0.748 30 20 DBED O=C1CCC[C@H](C(=O)NCCN(CCO)C(=O)C#CC2CC2)N1 1057536176 NBYGBMZQCNRRJN-CYBMUJFWSA-N 321.377 -0.994 30 20 DBED C[C@@H]1CCO[C@@H]1C(=O)NCCN(CCO)C(=O)C#CC1CC1 1057536243 PMTACJJJXYGLRT-DOMZBBRYSA-N 308.378 -0.238 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)CCc1nccn1C 1058354590 QMNWMLKZCZEEMI-GFCCVEGCSA-N 321.381 -0.551 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)CN1CCCCC1=O 1058652582 ARZWHQVZTNUHMV-GFCCVEGCSA-N 324.381 -0.904 30 20 DBED N#Cc1nc(=N[C@H]2C[C@H](NC(=O)[C@@H]3COCCO3)C2)cc[nH]1 1059161286 GAWDJVFAJCEVJV-DCAQKATOSA-N 303.322 -0.755 30 20 DBED C[C@@]1(C(=O)N[C@H]2C[C@@H](Nc3cnc(C#N)cn3)C2)CNC(=O)C1 1059773517 PHVARDWYZAAEQN-WMFXKJRFSA-N 314.349 -0.066 30 20 DBED N#Cc1cnc(N[C@H]2C[C@@H](NC(=O)c3c[nH]c(=O)cn3)C2)cn1 1059798811 HGNOHOWMQYWWNT-DTORHVGOSA-N 311.305 -0.196 30 20 DBED Cn1nnc(C(=O)N2CC[C@@H](CN=c3cc[nH]cc3C#N)C2)n1 1060964115 OMSFKPGZEAXEOT-JTQLQIEISA-N 312.337 -0.527 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCN(C(=O)CNC(N)=O)CC2)C1 1061112587 GXPJAOCAORXKJI-JTQLQIEISA-N 307.354 -0.735 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)CSCC#N 1061317892 LXHCXOJIUPVFRC-GHMZBOCLSA-N 310.379 -0.254 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCOC[C@H]1CNC(=O)c1cc[nH]n1 1061328008 ICFQABGQUZQYIG-IAQYHMDHSA-N 322.365 -0.306 30 20 DBED CO[C@@H](C)C(=O)NC[C@H]1COCCN1C(=O)CSCC#N 1061362771 KZDQIFWEPAZCRX-QWRGUYRKSA-N 315.395 -0.378 30 20 DBED CNC(=O)CCCC(=O)NC[C@@H]1COCCN1C(=O)[C@@H](C)C#N 1061521803 IGXHBEZSHAPJFV-NWDGAFQWSA-N 324.381 -0.594 30 20 DBED CN(C(=O)c1cnnn1C)[C@@H]1CCN(c2nccnc2C#N)C1 1062928873 RHKYTVONVSLYBP-SNVBAGLBSA-N 312.337 -0.172 30 20 DBED CN(C(=O)[C@H]1CNC(=O)N1)[C@H]1CCN(c2ccncc2C#N)C1 1063024398 BHAYSGKWPATDPX-NWDGAFQWSA-N 314.349 -0.328 30 20 DBED N#Cc1nccc(N2CCO[C@@H](CNC(=O)c3ccon3)C2)n1 1063616094 LKYRRILBSXXFEZ-JTQLQIEISA-N 314.305 -0.029 30 20 DBED Cc1cc(C(=O)N2CCO[C@H](CNC(=O)[C@@H](C)C#N)C2)nn1C 1064919536 LALLRKCHKORCGT-CMPLNLGQSA-N 319.365 -0.155 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCO[C@@H](CNC(=O)c2nc[nH]n2)C1 1065096621 ILSLOGMRZYHVQS-IINYFYTJSA-N 323.353 -0.911 30 20 DBED Cc1cn(C)nc1C(=O)N1CCO[C@H](CNC(=O)[C@@H](C)C#N)C1 1065138013 HOYRDPYVVINERA-CMPLNLGQSA-N 319.365 -0.155 30 20 DBED C#CCO[C@H](C)C(=O)N1CCO[C@H](CNC(=O)c2cnco2)C1 1065153442 WESYYTYMWFDMEW-VXGBXAGGSA-N 321.333 -0.330 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CN(C(=O)Cc2cncn2C)CCO1 1065373937 JVIGOEHJNIKEQB-AAEUAGOBSA-N 319.365 -0.534 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@H](CNC(=O)C2(N(C)C)CCC2)C1 1065556929 LLQHAHCQXKHCSF-CHWSQXEVSA-N 322.409 -0.026 30 20 DBED C[C@H](N=c1cc[nH]cc1C#N)[C@H]1CCN(C(=O)CC(N)=O)C1 1065685826 ZHHAANXGRZFQTJ-QWRGUYRKSA-N 301.350 -0.101 30 20 DBED CCc1nc(C#N)cc(NC[C@H]2CN(C(=O)C(N)=O)C[C@@H]2C)n1 1065900642 MQBUFBBSEIGACS-UWVGGRQHSA-N 316.365 -0.098 30 20 DBED N#Cc1cnc(N2C[C@H]3CN(C(=O)c4cnn[nH]4)C[C@H]3C2)cn1 1066084929 JAULIYXJKRMPAL-AOOOYVTPSA-N 310.321 -0.325 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](CNC(=O)c3cncnc3)C2)cn1 1067664877 GVSVJZHOIMIUKR-DOMZBBRYSA-N 324.344 -0.030 30 20 DBED C=CCCC(=O)N1CC2(CN(C(=O)CNC(=O)NC)CCO2)C1 1068405593 JMWSTROBJCLXIT-UHFFFAOYSA-N 324.381 -0.679 30 20 DBED COCC(=O)N[C@H]1COC2(C1)CN(C(=O)c1ccc(C#N)[nH]1)C2 1068653154 ZQNTZVPZHABBQY-LLVKDONJSA-N 318.333 -0.368 30 20 DBED C=CCOCC(=O)N1CC2(C[C@H](NC(=O)[C@H](C)OC)CO2)C1 1068727562 POZAJTUJPCUKQA-RYUDHWBXSA-N 312.366 -0.290 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H]1COC2(C1)CN(C(=O)C(F)F)C2 1068868256 LHUHYUGPLIRCHT-VHSXEESVSA-N 316.304 -0.224 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1COC2(C1)CN(C(=O)CNC(N)=O)C2 1068944576 ISYZQDLSMGIAQZ-JTQLQIEISA-N 324.381 -0.647 30 20 DBED CCC1(NC(=O)C(N)=O)CCN(C(=O)c2cc(C#N)c[nH]2)CC1 1069283791 LLTXLUQUXWXENA-UHFFFAOYSA-N 317.349 -0.127 30 20 DBED Cc1ccc(C(=O)N[C@@H]2CN(CC#N)C[C@@H]2n2ccnn2)nn1 1069924808 GUYDRAOXMZPYTC-OLZOCXBDSA-N 312.337 -0.445 30 20 DBED C#Cc1cncc(C(=O)N2C[C@H](n3ccnn3)[C@H](NCC#N)C2)c1 1070270344 GLPFUAFIISVVDN-CABCVRRESA-N 321.344 -0.167 30 20 DBED CNC(=O)NCC(=O)N1CCC[C@@H](NC(=O)C#CC2CC2)C1 1070855988 CWKSNDDIPQMVOZ-GFCCVEGCSA-N 306.366 -0.564 30 20 DBED Cc1nonc1C(=O)N1C[C@H]2C[C@@H]3CN(CC#N)C[C@]2(C1)O3 1070896034 RVDQEXLMOZVGFD-JTNHKYCSSA-N 303.322 -0.183 30 20 DBED C[C@H]1CN(C(=O)c2cc(=O)n(C)o2)C[C@]2(CCN(CC#N)C2)O1 1071158844 CBAWXVBAASGMCU-XHDPSFHLSA-N 320.349 -0.193 30 20 DBED COCCn1nccc1C(=O)NC[C@H]1CN(CC#N)CCCO1 1073651832 HYWBRYMBVHIZNV-ZDUSSCGKSA-N 321.381 -0.126 30 20 DBED Cn1cc(C(N)=O)cc1C(=O)NC[C@H]1CN(CC#N)CCCO1 1073681396 MSDHUZPUYRYUFQ-LBPRGKRZSA-N 319.365 -0.532 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)c2ccc(=O)n(CC)n2)C1 1073821193 CFSPDMZDSSMCHN-CYBMUJFWSA-N 318.377 -0.283 30 20 DBED CC(C)[C@@H](O)C(=O)NCC1(O)CCN(C(=O)[C@H](C)C#N)CC1 1074705500 TUWQEGKWNSPHDV-VXGBXAGGSA-N 311.382 -0.367 30 20 DBED C=CCOCC(=O)NCC[C@H](C)NC(=O)C[C@@H]1CCNC1=O 1075919019 QCMWRPZEXQGFJU-RYUDHWBXSA-N 311.382 -0.274 30 20 DBED C#CCOCCC(=O)N[C@@H](C)CCNC(=O)C[C@H]1CCNC1=O 1076852051 LRRUQSLXTOCVEC-QWHCGFSZSA-N 323.393 -0.437 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)C1 1077086477 WWEAWCIOTDGZBR-BFHYXJOUSA-N 321.421 -0.182 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)CN2CCCCCCC2=O)C1 1077093505 SXPKRSUPYOEQSJ-HUUCEWRRSA-N 321.421 -0.036 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)Cc2ccc3c(c2)NC(=O)C3)C1 1077154074 APEAVFAHSHEXLE-ZIAGYGMSSA-N 314.345 -0.591 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCn3nccc32)C1 1077255893 SODAFRLJEYVRQC-UMVBOHGHSA-N 302.378 -0.055 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)c2c(C)c[nH]c2CC(N)=O)C1 1077707441 INSPFKZHHMFPAJ-CHWSQXEVSA-N 320.393 -0.298 30 20 DBED C#CCOCCC(=O)N1CC(N(CC)C(=O)Cn2nccn2)C1 1079849562 WYZZAHICUGUHLY-UHFFFAOYSA-N 319.365 -0.623 30 20 DBED C=CCCOCC(=O)N(CC)C1CN(C(=O)c2nnn(C)n2)C1 1079979308 BWAQUGSBTYNJDK-UHFFFAOYSA-N 322.369 -0.524 30 20 DBED C#CCCCC(=O)N1C[C@H](CNC(=O)CN(C)C(C)=O)[C@@H](O)C1 1081289935 QWDLTXFKSZKUCS-KBPBESRZSA-N 323.393 -0.796 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)c2ncc[nH]2)C[C@@H]1O 1081464308 XWOZQHUEKVDKBQ-RYUDHWBXSA-N 304.350 -0.382 30 20 DBED Cn1cncc1C(=O)N1C[C@H](CNC(=O)C#CC2CC2)[C@@H](O)C1 1081473299 FQSKMHNXYAXSRL-JSGCOSHPSA-N 316.361 -0.617 30 20 DBED CC(C)(C)C#CC(=O)NC[C@H]1CN(C(=O)c2cnn[nH]2)C[C@@H]1O 1081477352 RRQLTGRZOFAYEN-JQWIXIFHSA-N 319.365 -0.597 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CCC(=O)N(C)C1 1083285289 LPFAHLZZTTUOLR-SOUVJXGZSA-N 319.405 -0.210 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)c2ccc(N(C)C)nn2)C1 1083963121 GRVFFJNYLBBQJP-OLZOCXBDSA-N 303.366 -0.659 30 20 DBED C[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCN1Cc1nnnn1C 1088513201 GHPTXADUNATZAM-KOLCDFICSA-N 314.353 -0.197 30 20 DBED N#CCN1C[C@@H](NC(=O)[C@@H]2CCC(=O)N2)CC2(CCOCC2)C1 1089964223 LVCAPSOTQCUKBN-STQMWFEESA-N 320.393 -0.224 30 20 DBED COCCCCC(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1O 1090374493 ZJKFNHNBLPLOBJ-VXGBXAGGSA-N 319.365 -0.169 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2cnn3c2OCCC3)[C@@H](O)C1 1090397885 VAJFNMKOZUKRFA-KGLIPLIRSA-N 318.377 -0.146 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2ccc3nnnn3c2)[C@@H](O)C1 1090430801 QGGNUUSQUSQSAQ-STQMWFEESA-N 314.349 -0.687 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2ncn(C(C)(C)C)n2)[C@@H](O)C1 1090570426 QROTWAQFUVANLM-NEPJUHHUSA-N 305.382 -0.169 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CN(c2ncnc3scnc23)C[C@@H]1O 1091079478 QXSCXEWUSKKMFI-HLTSFMKQSA-N 318.362 -0.088 30 20 DBED C#CCN1CC(OC2CCN(C(=O)[C@]3(C)CCC(=O)N3)CC2)C1 1093568267 IAWCCJXFKXTIOV-KRWDZBQOSA-N 319.405 -0.020 30 20 DBED C=CCN1CC(n2cc(CNC(=O)c3ccn(C)n3)nn2)C1 1094339257 WVGNEHVJKOLESS-UHFFFAOYSA-N 301.354 -0.016 30 20 DBED N#Cc1ccc(NCCCNC(=O)CN2CCOCC2)nn1 1094371994 YNZDBDANCRKZBF-UHFFFAOYSA-N 304.354 -0.401 30 20 DBED C#CCN1CCN(C(=O)[C@H]2CC2(C)C)[C@@H]2CS(=O)(=O)C[C@@H]21 1094622033 ONGMQUIATJAFOX-FRRDWIJNSA-N 310.419 -0.025 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)Cc3ccon3)CC2=O)C1 1094714452 WPRHUBTUMPNOLX-GFCCVEGCSA-N 304.350 -0.196 30 20 DBED N#CCN1CC(N2C[C@H](NC(=O)c3ccncc3F)CC2=O)C1 1094717429 KMESVSTXXJFGFM-SNVBAGLBSA-N 317.324 -0.241 30 20 DBED CCc1nocc1C(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1 1094786690 YFGWVDGWMMXLKJ-SNVBAGLBSA-N 317.349 -0.225 30 20 DBED CNC(=O)NCC(=O)N1CC[C@@H](N=c2cc(C)[nH]cc2C#N)C1 1095086448 LUYVJXCHMQCUOM-GFCCVEGCSA-N 316.365 -0.375 30 20 DBED N#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C1CC2(C1)NC(=O)NC2=O 1096150233 MJXNNVKCABJPQY-PKYLAJCHSA-N 317.349 -0.780 30 20 DBED C[C@H](NC(N)=O)C(=O)NC[C@H](N=c1cc[nH]c(C#N)n1)C1CC1 1096656170 NBBSFXMOLILIHM-WPRPVWTQSA-N 317.353 -0.866 30 20 DBED COC[C@H](OC)C(=O)N[C@H]1C[C@@H](N=c2cc[nH]c(C#N)n2)C1 1097246170 JLHFRUQUWQOJQI-AXFHLTTASA-N 305.338 -0.509 30 20 DBED CNC(=O)CC(=O)NC[C@H]1CCCCN1c1cncc(C#N)n1 1097421599 QSCCFNIGDAHTLL-GFCCVEGCSA-N 316.365 -0.041 30 20 DBED CNC(=O)C1(C(=O)NCC[C@@H](C)N=c2cc[nH]c(C#N)n2)CC1 1099286770 HTKCBXJUTRMTMY-SNVBAGLBSA-N 316.365 -0.397 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)c2cncs2)[C@H](O)C1 1099698343 NDWRUPOIYTXKGY-GHMZBOCLSA-N 324.406 -0.390 30 20 DBED C=CCCC(=O)N[C@@H]1CCN(Cc2nc(=O)n(C)[nH]2)C[C@@H]1O 1099728264 WFPMSOYWXOYUIV-MNOVXSKESA-N 309.370 -0.874 30 20 DBED COCC#CCN1CC[C@H](NC(=O)Cc2nnc(C)o2)[C@H](O)C1 1099802162 QABUBPOZQGYYDU-QWHCGFSZSA-N 322.365 -0.878 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)c2c[nH]nc2C)[C@@H](O)C1 1099938512 XCWSQTSWQFFEHV-OLZOCXBDSA-N 321.381 -0.815 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)C2(C(C)C)CC2)[C@@H](O)C1 1099995588 BJSFVTICBNTKLL-KBPBESRZSA-N 321.421 -0.277 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2nonc2C)[C@H](O)C1 1100136890 UIJUHEZCAFCQGE-VXGBXAGGSA-N 308.338 -0.807 30 20 DBED CN(CCNC(=O)Cn1ncn(C)c1=O)c1ccncc1C#N 1100215039 UUOGBESZYAKLKV-UHFFFAOYSA-N 315.337 -0.899 30 20 DBED COCC#CCNC1CC(CNC(=O)[C@@H](C)n2cncn2)C1 1100258171 AVBSYYXMWXWDKC-IYXRBSQSSA-N 305.382 -0.027 30 20 DBED C=CCOCC(=O)N1C[C@H]2CN(C[C@H](O)COC)C[C@@]2(C)C1 1101175460 ORMWSPDGRDGHPO-YCPHGPKFSA-N 312.410 -0.023 30 20 DBED CN(CCNc1cnc(C#N)cn1)C(=O)[C@@H]1CCCNC1=O 1101814986 JWUXRMBFLIPDRS-LLVKDONJSA-N 302.338 -0.255 30 20 DBED CO[C@@H](C)C(=O)NC[C@H]1CN(c2cnc(C#N)cn2)CCO1 1104292989 LFEKALRZGOIWIV-JQWIXIFHSA-N 305.338 -0.295 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)c1ccc(O)nn1 1104477137 DBVQHMRUGJIYHM-SECBINFHSA-N 313.321 -0.162 30 20 DBED C[C@@H](CNc1ccc(C#N)nn1)N(C)C(=O)[C@H]1CN(C)CCO1 1104538177 LMGAZHKBXQMRSS-WCQYABFASA-N 318.381 -0.062 30 20 DBED C=CCNCc1cn(C2CN(C(=O)[C@H]3CCC(=O)N3C)C2)nn1 1105312376 LZYZUYCRNXQBIG-CYBMUJFWSA-N 318.381 -0.442 30 20 DBED CN(C)CCOCC(=O)N(C)CCN(C)c1ccnc(C#N)n1 1105430636 QUXSFWAFDJELJD-UHFFFAOYSA-N 320.397 -0.179 30 20 DBED N#Cc1c(Cl)nsc1NC[C@@H](O)CNC(=O)CC(N)=O 1105763946 SSHLRAKSPMHLDK-YFKPBYRVSA-N 317.758 -0.567 30 20 DBED CCn1nncc1C(=O)NC[C@H](O)CNc1cncc(C#N)n1 1105822169 KREWVAKMOJOCLT-SNVBAGLBSA-N 316.325 -0.838 30 20 DBED CC[C@@H](NC(C)=O)C(=O)NC[C@H](O)CNc1ncccc1C#N 1106124118 WYPMRVZHQNJQDG-CHWSQXEVSA-N 319.365 -0.243 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@H]1C 1106150685 AQCVHXDMBBYGTB-VXGBXAGGSA-N 318.381 -0.916 30 20 DBED CCN(CCNc1cncc(C#N)n1)C(=O)CNC(=O)OC 1106684406 VOQIENJPKYBWHJ-UHFFFAOYSA-N 306.326 -0.035 30 20 DBED N#Cc1cncc(NC/C=C/CNC(=O)[C@H]2CNC(=O)N2)n1 1107493026 XHYZXRCZODKASI-TXXBHVLJSA-N 301.310 -0.886 30 20 DBED C=CCOCCCC(=O)NC[C@]1(C)CN(CC(N)=O)CCO1 1107838449 AOMNGKDXYWFNDZ-OAHLLOKOSA-N 313.398 -0.338 30 20 DBED CC#CCN1CCO[C@](C)(CNC(=O)[C@H]2CC(=O)N(C)C2)C1 1107983326 ISFZPVZTQRAYBK-XJKSGUPXSA-N 307.394 -0.305 30 20 DBED C[C@@]1(CNC(=O)C(N)=O)CN(Cc2cccc(C#N)c2)CCO1 1108177414 WSTMAHDQUWYGCT-MRXNPFEDSA-N 316.361 -0.249 30 20 DBED C#CCCN1CCO[C@](C)(CNC(=O)CN2C(=O)CCC2=O)C1 1108388222 YTBWWCIIVZEBIR-MRXNPFEDSA-N 321.377 -0.634 30 20 DBED C#CCCN1CC(N2C[C@@H](NC(=O)[C@H](CC)OC)CC2=O)C1 1108517043 BEZAOIAAUWUOQM-JSGCOSHPSA-N 307.394 -0.164 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)c1ccc2nnnn2c1 1108599903 BCRDHIZLUKIEFF-VIFPVBQESA-N 323.320 -0.562 30 20 DBED C[C@@H](CNc1ccc(C#N)nn1)NC(=O)[C@H](C)S(C)(=O)=O 1108773582 FHUPKGHZZSURNL-IUCAKERBSA-N 311.367 -0.302 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@H](C)CN(C)c1nccn2nnnc12 1108923009 GUFMDZOUWVAUQB-QMTHXVAHSA-N 319.369 -0.213 30 20 DBED C[C@@H](CN(C)c1nccnc1C#N)NC(=O)C[C@@H]1CCC(=O)N1 1109005975 BFVINDQEDJASPG-QWRGUYRKSA-N 316.365 -0.042 30 20 DBED C[C@@]1(C(=O)NCC2(Nc3cnc(C#N)cn3)CC2)CNC(=O)C1 1110287400 BUCLCLAPYGZIER-AWEZNQCLSA-N 314.349 -0.065 30 20 DBED CN1C[C@H](C(=O)NCC2(Nc3ccnc(C#N)n3)CC2)CC1=O 1110381101 UIHAKJHSKAPZFH-SNVBAGLBSA-N 314.349 -0.113 30 20 DBED N#Cc1cnc(N2CCC[C@](CO)(NC(=O)C(N)=O)C2)c(F)c1 1111363597 AEBQXJHFMLTJJB-AWEZNQCLSA-N 321.312 -0.975 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCN(C[C@@H](O)Cn2cccn2)CC1 1112805037 ZXJUDNYBFVYZLW-ZBFHGGJFSA-N 322.409 -0.285 30 20 DBED CC(=O)NCC(=O)N[C@H]1CN(c2cncc(C#N)n2)CC[C@H]1C 1113995163 YJPYILWSKPABLM-MFKMUULPSA-N 316.365 -0.185 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)CCCOCC=C)[C@H]2C1 1114109612 WYHHIKLPIUGLOY-KBPBESRZSA-N 319.405 -0.235 30 20 DBED N#CCNC(=O)CN1C[C@H]2C(NC(=O)C[C@@H]3CCCCO3)[C@@H]2C1 1114117480 PSGRFESRFCCJIH-YNEHKIRRSA-N 320.393 -0.368 30 20 DBED CC(C)(C)OCC(=O)NC1[C@H]2CN(CC(=O)NCC#N)C[C@H]12 1114166635 VTWHEZULVJSWEP-QWRGUYRKSA-N 308.382 -0.512 30 20 DBED CCn1ccc(C(=O)N[C@H]2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]32)n1 1114921985 UOHLNLHYWQOUNB-YABSGUDNSA-N 316.365 -0.797 30 20 DBED COC[C@@H]1CCCN(C(=O)C(=O)NC2CCN(CC#N)CC2)C1 1117281621 RAAUMXRPPMZZMY-CYBMUJFWSA-N 322.409 -0.024 30 20 DBED C#CCOCCNC(=O)C(=O)N[C@H](C)C(=O)N1CCCC[C@@H]1C 1117436018 BVCRMDFONLPWBV-QWHCGFSZSA-N 323.393 -0.342 30 20 DBED C#CCONC(=O)CCc1c(C)nc(N2CCOCC2)nc1O 1117697661 OVNRBLCRBFCXBX-UHFFFAOYSA-N 320.349 -0.059 30 20 DBED COC(=O)[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)CCO1 1118179681 CATPQEOZNYPHOZ-AXFHLTTASA-N 309.322 -0.805 30 20 DBED C[C@@]1(CO)CCCN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)C1 1118185343 ZIQUHTIWQGGTAC-HUUCEWRRSA-N 309.366 -0.516 30 20 DBED N#Cc1cccnc1N[C@@H](CO)CNC(=O)CN1CCOCC1 1121345503 AUPUYSKMAVOOSJ-CYBMUJFWSA-N 319.365 -0.826 30 20 DBED C#CCN1CCN(c2nnc(C3(CO)CCOCC3)n2C)CC1 1121511532 TWWNEQNLKAXAQK-UHFFFAOYSA-N 319.409 -0.389 30 20 DBED CN(C[C@H](O)CNc1ccc(C#N)cn1)C(=O)[C@@H]1COCCO1 1124048448 ZXBYUOSZYXBVJZ-OLZOCXBDSA-N 320.349 -0.400 30 20 DBED C#CCOCCC(=O)N(C)C[C@H](O)CN=c1cc[nH]c(C#N)n1 1124519201 IZFCKHOHDCINDO-GFCCVEGCSA-N 317.349 -0.959 30 20 DBED C#CCOCCC(=O)N(C)C[C@H](O)CNc1nccc(OC)n1 1124520116 QIZMQHUXDLYMAW-GFCCVEGCSA-N 322.365 -0.244 30 20 DBED CO[C@@H](C)C(=O)N(C)C[C@@H](O)CN(C)c1nc(C)cc(C#N)n1 1124958786 WQMVKLOKMNSIDH-WCQYABFASA-N 321.381 -0.053 30 20 DBED C[C@H]1CN(C(=O)CNCCNC(=O)C#CC2CC2)C[C@H](C)O1 1126886551 WQVJTPSSWXKNMY-STQMWFEESA-N 307.394 -0.259 30 20 DBED C#CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H](CC)N(C)C)C1 1129071930 QMUFZNCPWPPDPO-KFWWJZLASA-N 318.425 -0.017 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)C[C@@H]1CCCC(=O)N1 1131110032 ZHAYVRWPAAQNRX-RYUDHWBXSA-N 310.398 -0.558 30 20 DBED CC#CCN1C[C@H]2C[C@@H]3CN(C(=O)CC(=O)NC)C[C@@]3(C1)O2 1131226889 AJLAKLVXMITFET-XJKCOSOUSA-N 305.378 -0.553 30 20 DBED N#CCNC(=O)CNCCNC(=O)[C@@H]1C[C@H]1C1CCOCC1 1131242525 SOJPGGLOJSZROC-QWHCGFSZSA-N 308.382 -0.605 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)[C@H](C)OCCOC)C1=O 1134663658 QGEPVJZUELWXJO-STQMWFEESA-N 313.398 -0.469 30 20 DBED CC#CCN[C@@H](C)C[C@@H](C)NC(=O)CNC(=O)CNC(C)=O 1134769902 KWKKLTHYTUCNMX-NWDGAFQWSA-N 310.398 -0.865 30 20 DBED C=CCCn1cc(C(=O)NCCNCc2cnn(C)n2)nn1 1135071731 JHXQTAUNZRDBEA-UHFFFAOYSA-N 304.358 -0.498 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)C(=O)NCC1CC1 1135784476 HTGCAHUUFLUTJO-NEPJUHHUSA-N 322.409 -0.865 30 20 DBED C=CCNC(=O)CN1CCC2(C1)CN(C(=O)c1ncccn1)C2 1148477398 VFOJJOWPRBNIQA-UHFFFAOYSA-N 315.377 -0.073 30 20 DBED Cc1cnoc1C(=O)N1CC2(CCN(CC(=O)NCC#N)C2)C1 1148551522 MXBUDTMGQIFWKS-UHFFFAOYSA-N 317.349 -0.229 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1cncnc1C1CC1 1149524961 WBOJIPAUYFZIKM-UHFFFAOYSA-N 302.338 -0.687 30 20 DBED CC#CCN1CCC(CCOC)(NC(=O)CNC(=O)NC)CC1 1151155526 FTVZTBYNSUBOLP-UHFFFAOYSA-N 324.425 -0.074 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)c1cccn1CC 1151189537 COMYDDRRVBNIJV-UHFFFAOYSA-N 321.381 -0.161 30 20 DBED CCN(CC#N)[C@H](C)CNC(=O)c1ccc(=O)n(CCOC)n1 1154233247 PDNMEPCSKXJZPP-GFCCVEGCSA-N 321.381 -0.147 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)NCCCNC(=O)[C@@H](C)OC 1155260279 QIOAQZVCLNPDTA-WDEREUQCSA-N 314.386 -0.483 30 20 DBED C#CCN(CC)[C@H](C)CNC(=O)Cn1[nH]cc2c(=O)ncnc1-2 1155872229 PDCNUMFGHCBHGP-LLVKDONJSA-N 316.365 -0.469 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)c1cnn(CC)n1 1157526770 SGRQYDDYNJLOOM-NSHDSACASA-N 306.370 -0.855 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@]1(C)CCN(C(C)=O)C1 1170442849 YYHIKPGRLASNPX-MRXNPFEDSA-N 324.425 -0.357 30 20 DBED CN(CC(=O)N1CC[C@H]2OCCN(CC#N)[C@@H]2C1)C(=O)C1CC1 1177029827 JPSQQVBSBYRGEK-ZIAGYGMSSA-N 320.393 -0.320 30 20 DBED C=CCOCCN[C@@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)C2)C1 1184058836 QHFUTQRJPYTSLY-CHWSQXEVSA-N 316.423 -0.186 30 20 DBED N#CCNC(=O)CN[C@@H]1CCN(C(=O)c2conc2C2CC2)C1 1185600858 VOUXCJAFSYLSME-LLVKDONJSA-N 317.349 -0.004 30 20 DBED C[C@H]1CN(C(=O)c2cn(C)c(=O)nc2O)CC[C@@H]1CNCC#N 1185683024 VWWBQYNEODHARM-WDEREUQCSA-N 319.365 -0.303 30 20 DBED C#CCNC[C@H]1CN(C(=O)[C@@H](C)CC(N)=O)CC12CCOCC2 1186443625 BKWCLXWOQJFXRH-KBPBESRZSA-N 321.421 -0.024 30 20 DBED CC#CCN1C[C@@H]2CCN(C(=O)CCNS(C)(=O)=O)[C@@H]2C1 1188103181 XVGALZHOTGXZBK-QWHCGFSZSA-N 313.423 -0.518 30 20 DBED COCC#CCN(C)[C@@H]1CCN(C(=O)CN2CCCC2=O)C1 1188792616 IFXRYZOIVYQMQH-CQSZACIVSA-N 307.394 -0.209 30 20 DBED COCC#CCN1C[C@@H]2CCN(C(=O)[C@H]3CCN(C)C3=O)[C@@H]2C1 1188840124 YXDUPCLDULELQV-SOUVJXGZSA-N 319.405 -0.353 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3nc(C)c[nH]3)[C@@H]2C1 1189375474 KGWKRNJTWZGOOC-QWHCGFSZSA-N 315.377 -0.386 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)CC[C@@H]2CCCO2)C1 1191204106 QDZIBXISKUTZEC-RRFJBIMHSA-N 310.394 -0.243 30 20 DBED Cc1ncc(CN2C[C@@H](O)[C@H](NC(=O)C#CC3CC3)C2)cn1 1192820961 FGNBHWIDHIKBOS-HUUCEWRRSA-N 300.362 -0.140 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2cnoc2C)C[C@H]1O 1192886504 RRMRKDIBRBAXKM-ZIAGYGMSSA-N 307.350 -0.316 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2nocc2C)C1 1193292653 RADKIGHUKAWNLZ-LBPRGKRZSA-N 304.350 -0.121 30 20 DBED C=C[C@@](C)(CC)C(=O)N[C@@H]1CN(CCN2CCNC2=O)C[C@H]1O 1195923765 LHQZYZQMMSPXAO-IOASZLSFSA-N 324.425 -0.225 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)CS(=O)(=O)N(CC)CC)C1 1196543767 RUPFFVAELRHTIG-VXGBXAGGSA-N 319.427 -0.995 30 20 DBED N#CCNC[C@H]1CN(C(=O)C[C@@H]2CCC(=O)NC2)CCCO1 1200673298 NLBVUBGRQWBNIF-STQMWFEESA-N 308.382 -0.367 30 20 DBED C=CCNC(=O)CN[C@H]1C[C@@H](NC(=O)c2cnn[nH]2)C12CCC2 1203112265 BBWGTMJAKWYKNM-NWDGAFQWSA-N 318.381 -0.263 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)[C@H]2CCCN2C)[C@H](C)C1 1206585855 GCSWGAASCSYSNK-MGPQQGTHSA-N 306.410 -0.734 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2ocnc2C)[C@H](C)C1 1206759544 KAXZVGSYQNXLAR-ZYHUDNBSSA-N 304.350 -0.217 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)C[C@H]2COC(=O)C2)C1 1207813273 JFUOWMOMUXCSLD-CHWSQXEVSA-N 323.393 -0.178 30 20 DBED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)[C@@H]1CC1(C)C 1212125033 IIVUJNURFDUHTM-QJPTWQEYSA-N 308.382 -0.512 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)C[C@H](C)COC)C[C@H]1C 1216144924 ODODARTVPOHKEL-BFHYXJOUSA-N 309.410 -0.155 30 20 DBED Cc1ncc(CN2C[C@H](O)[C@H](NC(=O)CSCC#N)C2)o1 1219218442 RHGQBWXRIKWNJN-NEPJUHHUSA-N 310.379 -0.099 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)c2ccnc(O)c2)C1 1219458167 SEAFJJPXLRLXOA-OLZOCXBDSA-N 305.334 -0.788 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(CCOCC(F)F)C[C@@H]1O 1219536759 YIZMGBMPKLQMJI-SUNKGSAMSA-N 322.352 -0.244 30 20 DBED C=CCCCN1C[C@H](O)[C@H](NC(=O)c2ccn3nnnc3c2)C1 1220119115 AFQYDHMZURGUIZ-OLZOCXBDSA-N 316.365 -0.135 30 20 DBED C=C(C)C[C@@H](C)C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@@H]1O 1220190766 XZFZJBVYAZANMZ-UPJWGTAASA-N 308.382 -0.610 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)CCc2cn(C)nn2)C1 1221189937 RTHPGTNNKSSFCR-KGLIPLIRSA-N 323.397 -0.888 30 20 DBED C#CCN1CCC(NC(=O)CCNC(=O)[C@H]2CCCO2)CC1 1230442278 GQUJGNHKHVTKRS-CQSZACIVSA-N 307.394 -0.115 30 20 DBED CN(C[C@@H]1CCN1CC(=O)NC(N)=O)C(=O)c1cc(C#N)c[nH]1 1231408180 WVTVNCATBGXQCX-JTQLQIEISA-N 318.337 -0.772 30 20 DBED C#CCSCCNC(=O)C(=O)N[C@@H](COC)[C@H]1CCCO1 1261092848 QXBWVXZSASWNFZ-NWDGAFQWSA-N 314.407 -0.221 30 20 DBED C[C@@H]1C(=O)N(C)CCN1C(=O)C(=O)N1CCC[C@](C)(C#N)C1 1261323300 BZHZTKXASNNDRP-IAQYHMDHSA-N 306.366 -0.172 30 20 DBED Cc1cc(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)c(=O)n(C)c1 1319206400 ACZKNBCEAAEDQJ-JTQLQIEISA-N 304.306 -0.617 30 20 DBED C#C[C@H](NC(=O)C(=O)Nc1ccc(=O)n(C)c1)[C@H]1CCCO1 1320690996 LOHCVZSUSAEYRM-NWDGAFQWSA-N 303.318 -0.379 30 20 DBED C[C@H](CNC(=O)C(=O)N1CCC(C)(C#N)CC1)S(C)(=O)=O 1323010640 MGLNOFFSYVEXFW-SNVBAGLBSA-N 315.395 -0.312 30 20 DBED C=C[C@H](COC)NS(=O)(=O)N1CCC(C(=O)OC)CC1 1324015706 JZYOZXXPQUJKSU-LLVKDONJSA-N 306.384 -0.093 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N1CCCN(C(=O)OC)CC1 1325474791 NLPDYKHLMKEPOC-NSHDSACASA-N 313.354 -0.396 30 20 DBED CNS(=O)(=O)[C@@H]1CCCN(C(=O)[C@H](N)CCCC#N)C1 1327855857 GIYCHJSPYKNBJA-GHMZBOCLSA-N 302.400 -0.452 30 20 DBED COCC[C@@H](C)CNC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1330327534 BJVUKQSWDIWZFL-OCCSQVGLSA-N 322.409 -0.026 30 20 DBED C=CCn1cc(CNC(=O)C(=O)NC[C@H](OC)C(C)C)nn1 1349029868 ILIRPGJMUQSJJI-LBPRGKRZSA-N 309.370 -0.133 30 20 DBED C#CCN(CC)c1nnnn1C[C@@H]1CC[C@@H](C(=O)N(C)C)O1 1352613494 ZFDCSLBUTGCHFH-RYUDHWBXSA-N 306.370 -0.232 30 20 DBED C[C@H](O)CC(C)(C)CNC(=O)Cn1cc(C#N)c(O)nc1=O 1362173206 FIKVPNBDXZLKJX-VIFPVBQESA-N 308.338 -0.266 30 20 DBED CN(CCNC(=O)C[C@@H]1CCC(=O)N1)c1ccc(C#N)nn1 1366809448 XLOKOIJBVVOHEN-JTQLQIEISA-N 302.338 -0.431 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@@H](NC(=O)CCCC(N)=O)C2)c1 1372293024 VSBUXNQFDBUQKM-LLVKDONJSA-N 317.349 -0.127 30 20 DBED CC(=O)N[C@@H](C(=O)N1CC(CNC(=O)[C@H](C)C#N)C1)C(C)C 1374900785 VLHJTJQGQWZQRM-ZWNOBZJWSA-N 308.382 -0.119 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)[C@H]2C[C@H]2C(N)=O)CCCC1 1375312979 AJNFMNIDJGGINR-MXWKQRLJSA-N 306.366 -0.187 30 20 DBED CC(C)[C@@H](CNC(=O)CCS(C)(=O)=O)NC(=O)[C@H](C)C#N 1376027684 YUKGCRASXNNKQP-GHMZBOCLSA-N 317.411 -0.162 30 20 DBED CC(C)CNC(=O)NC(=O)CNC1(CNC(=O)[C@@H](C)C#N)CC1 1380070885 YCAUAJAFHFCUHM-NSHDSACASA-N 323.397 -0.134 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)COc2ccsc2)C1 1384028994 YAXVAGDEYPUBOK-MVWJERBFSA-N 323.374 -0.026 30 20 DBED C[C@H](C#N)C(=O)N1CC(NC(=O)C(C)(C)CN2CCOCC2)C1 1387755998 IOYSNAHZFZKSNE-GFCCVEGCSA-N 322.409 -0.169 30 20 DBED C[C@H](C#N)C(=O)NC1CN(C(=O)[C@@H](C)NC(=O)c2ccoc2)C1 1387805699 HXWMPPKWSVYGGZ-NXEZZACHSA-N 318.333 -0.115 30 20 DBED COCC1(C(=O)NC[C@@H](O)CNC(=O)c2cc(C#N)c[nH]2)CC1 1389090419 VOPQCYVRXXTAAO-NSHDSACASA-N 320.349 -0.480 30 20 DBED C[C@H](C#N)C(=O)NC[C@@]1(C)CCN(C(=O)C2(NC(N)=O)CC2)C1 1390271218 CYRNQPXQJYWPJJ-QMTHXVAHSA-N 321.381 -0.298 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)CN(C)C(=O)C2CC2)CC1 1393818866 PPFLJSCXPHUNIW-SNVBAGLBSA-N 306.366 -0.221 30 20 DBED CNC(=O)NCCC(=O)N1CCC(N(C)C(=O)[C@@H](C)C#N)CC1 1395456221 PGFUNKFETDVJGT-NSHDSACASA-N 323.397 -0.085 30 20 DBED C=C(Br)CN(C)CCNC(=O)Cn1cnnn1 1399438926 JZQUEKMPNSSREX-UHFFFAOYSA-N 303.164 -0.370 30 20 DBED CCc1noc(COCC(=O)N2CC(NC(=O)[C@@H](C)C#N)C2)n1 1416045694 GLLNMAUXJAQTKR-VIFPVBQESA-N 321.337 -0.365 30 20 DBED CCN(CCC#N)C(=O)CN[C@H](C)CNC(=O)c1cn(C)cn1 1419729566 ODVDLSLHPVNMRL-GFCCVEGCSA-N 320.397 -0.110 30 20 DBED Cn1cnc(C(=O)NC[C@H](O)CNCc2ccc(C#N)s2)n1 1422306887 LSFUUMKIYOGUHG-SECBINFHSA-N 320.378 -0.371 30 20 DBED C=C(Cl)CNC[C@@H](O)CN(C)C(=O)CN1CCCC1=O 1425987594 UPBQNJSUKTWEDO-LLVKDONJSA-N 303.790 -0.230 30 20 DBED N#C[C@@H]1CC[C@H](N2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)C1 1434463299 OZBJKUVHOCCWGN-RFGFWPKPSA-N 313.423 -0.546 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@@]2(O)CCN(Cc3cnon3)C2)c1 1446768676 OJSNMLFMVSQPPC-AWEZNQCLSA-N 316.321 -0.364 30 20 DBED C[C@H](CNC(=O)c1c[nH]c(C#N)c1)NC(=O)CNC(=O)C1CC1 1447867745 LJWLXEWKVKIKEP-SECBINFHSA-N 317.349 -0.353 30 20 DBED CC(=O)NCC(=O)N(C)C[C@@H](C)NC(=O)c1ccc(C#N)[nH]1 1450909919 UYMSDPPEOWUJPS-SECBINFHSA-N 305.338 -0.401 30 20 DBED CCc1cc(C(=O)NC[C@@H](O)CNC(=O)[C@@H](C)C#N)cc(O)n1 1452379167 QMUYEHDEGVQHGU-CABZTGNLSA-N 320.349 -0.284 30 20 DBED CC[C@@H](NC(C)=O)C(=O)NCCN(C)C(=O)c1cc(C#N)c[nH]1 1455493320 HJENNOGQRQNPFC-GFCCVEGCSA-N 319.365 -0.011 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N1CCC(O)(CN(C)C)CC1 1464593300 ABBCYWIJQVBVOL-GFCCVEGCSA-N 318.443 -0.289 30 20 DBED N#Cc1ncn(CCNC(=O)NCc2nnc3n2CCCC3)n1 1467925874 PLGXHUUHBJAFPW-UHFFFAOYSA-N 315.341 -0.423 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@](C)(NC(=O)CN2CCOCC2)C1 1506446329 ZCMNIHPSEWZVGX-SWLSCSKDSA-N 308.382 -0.415 30 20 DBED C#CCN(C)c1nnc(Cc2nn[nH]n2)n1C[C@@H]1CCOC1 1519703139 AEMRUOQNFWCHQF-JTQLQIEISA-N 302.342 -0.512 30 20 DBED CC#CCCCC(=O)NCCN=c1cc[nH]c(-c2nn[nH]n2)n1 1573358522 LKRBLOIXQAFOHT-UHFFFAOYSA-N 314.353 -0.200 30 20 DBED CC(=O)N1CCC(Nc2cnc(-c3nn[nH]n3)c(C#N)n2)CC1 1573439706 PWACHLCFHDHHCL-UHFFFAOYSA-N 313.325 -0.049 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CCN(c2cnc(-c3nn[nH]n3)cn2)C1 1573586595 RKDBNQZMLJTQMR-IUCAKERBSA-N 313.325 -0.489 30 20 DBED O=C(O)C1=NO[C@@H](C(=O)NCc2ccc(C(=O)NO)cc2)C1 1574644397 UTEFEPZLCDKXCN-SNVBAGLBSA-N 307.262 -0.349 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)N(C2CNC2)C1 1574834826 GNSITNRCNCQBLM-AAEUAGOBSA-N 308.382 -0.854 30 20 DBED CC#CC[C@H](N)C(=O)N[C@@H]1CC(=O)N(CCN(C)CCOC)C1 1574973139 SSUKXBJKTLIFLS-KGLIPLIRSA-N 324.425 -0.978 30 20 DBED C[C@@H]1CN(c2cnc(-c3nn[nH]n3)c(C#N)n2)C[C@@H](C)S1=O 1576366804 VJILWYLWLTWACP-HTQZYQBOSA-N 318.366 -0.126 30 20 DBED C#CC1(O)CN(S(=O)(=O)c2ccc(F)c(-c3nn[nH]n3)c2)C1 1588333591 YAUWNVAETCNBNK-UHFFFAOYSA-N 323.309 -0.626 30 20 DBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@H](F)C(=O)O 1588534365 GASUMUFVTYEPKV-GUBZILKMSA-N 302.302 -0.377 30 20 DBED CCN([C@@H](C)C(=O)O)S(=O)(=O)N(CCC#N)CCOC 1589713349 NQLOJAKWRUVGBC-JTQLQIEISA-N 307.372 -0.112 30 20 DBED CSC[C@@](C)(C#N)NC(=O)[C@H](C)n1cnc(-c2nn[nH]n2)n1 1591691546 CVWAWTWLDVQTMN-WRWORJQWSA-N 321.370 -0.219 30 20 DBED Cc1cc(-c2nn[nH]n2)c(O)nc1C(=O)N1CCO[C@H](C#N)C1 1591834845 TVYPBIPVBNWWBC-MRVPVSSYSA-N 315.293 -0.360 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N1C[C@@H](O)C[C@H](C(=O)O)C1 1592222120 RHXHBMWAGYGHQO-UTLUCORTSA-N 305.356 -0.767 30 20 DBED Cc1cnn(CCC(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[nH]2)c1 1592303912 BXPZJQVKTMKECX-UHFFFAOYSA-N 312.297 -0.005 30 20 DBED CCC(CC)(CNC(=O)Cn1cc(C#N)c(O)nc1=O)C(=O)O 1595068758 SVJWFJOUBMSJGK-UHFFFAOYSA-N 322.321 -0.172 30 20 DBED N#C[C@H]1CN(S(=O)(=O)N2[C@H]3CC[C@H]2[C@@H](C(=O)O)C3)CCO1 1601063343 PWBLQBJKTIGMBP-NAKRPEOUSA-N 315.351 -0.607 30 20 DBED C[C@@](C#N)(CC(=O)O)C(=O)NC1CCN([C@@H]2CCOC2=O)CC1 1602780593 JLHLTTAZYLOXSM-ABAIWWIYSA-N 323.349 -0.113 30 20 DBED C=C[C@@H](COC)NS(=O)(=O)c1ccc(-c2nn[nH]n2)nc1 1602804152 SHCLPLGAQGEOFI-QMMMGPOBSA-N 310.339 -0.259 30 20 DBED C[C@@H]1C[C@H](C(=O)O)CN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)C1 1603354061 FHKIJJYNVLLEKS-JRPNMDOOSA-N 323.349 -0.567 30 20 DBED N#Cc1c(-c2nn[nH]n2)ncn1CCn1ccc([N+](=O)[O-])n1 1606356345 PSXXAJKABCJRCF-UHFFFAOYSA-N 300.242 -0.260 30 20 DBED N#Cc1cccc(-c2nn[nH]n2)c1N1C[C@H]2C(=O)NC(=O)[C@H]2C1 1606380312 UJPXTIKGXXSGCM-AOOOYVTPSA-N 309.289 -0.553 30 20 DBED C[C@@H](CCNC(=O)c1ccnc(F)c1)NCC(=O)NCC#N 1690833555 LSIAKUXHSVFCDA-JTQLQIEISA-N 307.329 -0.042 30 20 DBED C=CCNC(=O)CN[C@H]1C[C@@H](NC(=O)CNC(=O)C2CC2)C1 1752715702 KHXYEKBOJNEHQJ-TXEJJXNPSA-N 308.382 -0.948 30 20 DBED C=CCNC(=O)CNC[C@H]1CCN(C(=O)C(=O)NCC2CC2)C1 1752956205 KQRYQRSRRXGAQE-CYBMUJFWSA-N 322.409 -0.747 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)Cc1cc[nH]n1 1753420050 YGHLVGAELUDSNJ-XBFCOCLRSA-N 315.377 -0.625 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@H]1CN(Cc2nncn2C)CCO1 1753650251 PJJAFKFKRVLGMA-IUODEOHRSA-N 323.397 -0.541 30 20 DBED C=CCNC(=O)CN(C)CCN(C)C(=O)Cn1cc(C)cn1 1753848646 LNRDZXFTWNGRMX-UHFFFAOYSA-N 307.398 -0.116 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@@H]1CNC(=O)c1cnn(CC)c1 1754476628 AIZNGOQTTJNCNJ-GXTWGEPZSA-N 317.393 -0.155 30 20 DBED C#CCCNC1(CNC(=O)[C@@H]2Cc3cncn3C(=O)N2)CC1 1754526798 QJRAWHKMOWOLDF-LBPRGKRZSA-N 301.350 -0.373 30 20 DBED C#CCN(C(=O)[C@@H](C)n1cncn1)C1CCN(CCO)CC1 1754636740 YBAVIRIYQFVJKQ-CYBMUJFWSA-N 305.382 -0.242 30 20 DBED C#CCN1CC[C@@](O)(CNC(=O)CCCC(=O)NCCC)C1 1754758420 BGJUAQHNUHEHLB-MRXNPFEDSA-N 309.410 -0.131 30 20 DBED CC#CCN1CC[C@@](O)(CNC(=O)C(C)(C)S(C)(=O)=O)C1 1754758453 FKORFNDUFHBIFP-CQSZACIVSA-N 316.423 -0.614 30 20 DBED N#CCN[C@@]1(CO)CCCN(C(=O)c2cn3cccnc3n2)C1 1755085451 GPMRYBLDWLQMBQ-HNNXBMFYSA-N 314.349 -0.190 30 20 DBED CCc1cc(C(=O)NC2CC(CNCC(=O)NCC#N)C2)n[nH]1 1755207411 JDDBZSQAIIMPMG-UHFFFAOYSA-N 318.381 -0.290 30 20 DBED C#CCNC(=O)CN[C@H](C)[C@@H](C)NC(=O)c1ncc(OC)cn1 1755242988 GODIIZDCGCQCPE-GHMZBOCLSA-N 319.365 -0.669 30 20 DBED C=CCOCCN1C[C@@H]2C(CNC(=O)[C@@H]3CCNC3=O)[C@H]2C1 1755427098 YWZQEOJVMYUNGA-MRVWCRGKSA-N 307.394 -0.381 30 20 DBED C=CCNC(=O)CN[C@H](C)CN(C)C(=O)[C@]1(F)CCOC1 1755601647 NAOADNBYKPNXFZ-RISCZKNCSA-N 301.362 -0.146 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H](CO)NCc1cncc(C)c1 1755627144 DJZKQRGSVQMQGO-HIFRSBDPSA-N 305.378 -0.005 30 20 DBED COc1ccc(CN[C@@H](CO)CNC(=O)C#CC(C)C)nn1 1755628703 WFVDPTGRGXRPPY-CYBMUJFWSA-N 306.366 -0.289 30 20 DBED COCC#CCN[C@H](CO)CNC(=O)C[C@H](C)n1ccc(C)n1 1755633796 DBNZCFGMDPIVSG-GJZGRUSLSA-N 322.409 -0.141 30 20 DBED CC(C)(O)CC(=O)N[C@]12CCC[C@@H]1N(CC(=O)NCC#N)CC2 1755700176 ZPUDEWLPAKSCEZ-LRDDRELGSA-N 322.409 -0.100 30 20 DBED CC(C)N(CCN(C)C(=O)C(N)=O)C(=O)c1c[nH]c(C#N)c1 1756693691 KAFHMRIURHSKFF-UHFFFAOYSA-N 305.338 -0.319 30 20 DBED CC(C)C#CC(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CN(C)C(=O)N2)C1 1757325385 CZHJZHZVIQWKRS-XQQFMLRXSA-N 320.393 -0.320 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H]1CN(C(=O)CC)C[C@H]1OCC 1757382265 WEVMNELKJLJBOL-CHWSQXEVSA-N 323.393 -0.484 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)O)C[C@@H]12 1777210119 IJBFPSHGAIPSSC-UMNHJUIQSA-N 317.367 -0.454 30 20 DBED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1C[C@@H](O)C1)C2 1781693296 DQKKKUQKAJFKEP-UMPJEAMMSA-N 320.389 -0.096 30 20 DBED CC[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1CC1)C2 1792860571 RYFWELVYJPMUOY-FQLMCAECSA-N 320.389 -0.240 30 20 DBED C#CCN1CCN(C(=O)CN2CCO[C@H]([C@@H]3CCCO3)C2)CC1 89155441 NQOJKBDIRGEGNB-HOTGVXAUSA-N 321.421 -0.356 30 20 DBED C[C@@H](CNS(=O)(=O)N(C)CCC#N)CN1CCOCC1 160389037 HKQRIPYQKNJZFC-LBPRGKRZSA-N 304.416 -0.365 30 20 DBED N#CCCN(CCC(=O)N1CCOCC1)CCN1CCOCC1 174829892 IAMLCKLCWBJGSS-UHFFFAOYSA-N 324.425 -0.217 30 20 DBED CO[C@@]1(C/N=C(/N)N2CCN(c3ncccn3)CC2)CCOC1 262659596 LIPSVSYGCHVFGU-OAHLLOKOSA-N 320.397 -0.281 30 20 DBED CCOC(=O)CO/N=C(/C(=O)N(CC)CCO)c1cc[nH]n1 276588586 MQYIYRSUNBVZIM-FOWTUZBSSA-N 312.326 -0.466 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)[C@@H](NC(=O)C2CC2)[C@@H](C)O)C1=O 281695756 LSJXCIDGNMCRSC-WXHSDQCUSA-N 323.393 -0.493 30 20 DBED C#CCCS(=O)(=O)N1CCN(c2nc(N)ns2)CC1 288329938 LOMHSYOUDGGFJR-UHFFFAOYSA-N 301.397 -0.405 30 20 DBED CN(C)c1cc(C#N)cc(C(=O)N2CCO[C@H](C(N)=O)C2)c1 292924926 GNLYILYMFZIQRY-ZDUSSCGKSA-N 302.334 -0.049 30 20 DBED CCS(=O)(=O)NCCNS(=O)(=O)c1cccc(C#N)c1 298525420 XROFSZDBKTZROZ-UHFFFAOYSA-N 317.392 -0.224 30 20 DBED CS(=O)(=O)N1CCC[C@@H]1C/N=C(/O)Cn1cnnc1O 329611411 RIKVTEBIVFAIIX-MRVPVSSYSA-N 303.344 -0.636 30 20 DBED C[C@H](/N=C(/O)CN1C[C@@H](O)C[C@H]1CO)C(=O)N1CCCCC1 329938659 ALLUPJQKKBTMBH-AVGNSLFASA-N 313.398 -0.229 30 20 DBED CCN1CCN([C@@H]2CCN(/C(O)=N/[C@H]3CC(=O)N(C)C3)C2)CC1 330157937 ZOASQXZGTCYFIF-UONOGXRCSA-N 323.441 -0.157 30 20 DBED N#Cc1cccnc1N1CCN(S(=O)(=O)C2COC2)CC1 330249727 GLKKPLCQPRTCMP-UHFFFAOYSA-N 308.363 -0.196 30 20 DBED COCCN1CCN(S(=O)(=O)N(C)C[C@@H](C)C#N)C[C@H]1C 330376572 DOIOZNSAXDCLRP-QWHCGFSZSA-N 318.443 -0.025 30 20 DBED CCOC(=O)CCN(C)S(=O)(=O)N1CCO[C@H](C#N)C1 336918967 PQYGUNOMMGVSSH-SNVBAGLBSA-N 305.356 -0.659 30 20 DBED CCN1CCCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CC1=O 337169695 DSVMSBFPEGIHLY-NSHDSACASA-N 316.383 -0.990 30 20 DBED N#Cc1ccc(CS(=O)(=O)CC(=O)NCC#CCO)cc1 339193283 AKOOYQFCIHPTST-UHFFFAOYSA-N 306.343 -0.415 30 20 DBED C=CC[C@H](CO)CNC(=O)C(=O)Nc1cc(C)cn(C)c1=O 341434730 QUZPMGCARXFUSO-NSHDSACASA-N 307.350 -0.067 30 20 DBED C[C@H]1CCC[C@]1(O)CNC(=O)C(=O)Nc1ccn(CCC#N)n1 343671727 XJSAOWSEMBKGKM-NHYWBVRUSA-N 319.365 0.403 30 20 DBED COC(=O)c1cnc(NS(=O)(=O)c2ccc(C#N)nc2)cn1 345674708 KAJNRAOYZSUVPF-UHFFFAOYSA-N 319.302 0.331 30 20 DBED COC(=O)CC[C@H](NS(=O)(=O)N(C)CCC#N)C(=O)OC 345705798 AZVJUIDKYJHHMC-VIFPVBQESA-N 321.355 -0.839 30 20 DBED C[C@H]1CC[C@@H](NS(=O)(=O)CCCS(=O)(=O)NCC#N)C1 349596291 XIUMSXYHWFIFMN-WDEREUQCSA-N 323.440 -0.073 30 20 DBED COCCN(C(=O)CN(C)CCC#N)[C@@H]1CCS(=O)(=O)C1 355442685 AHXDVLJVDUAGNY-GFCCVEGCSA-N 317.411 -0.506 30 20 DBED N#CC1(CS(=O)(=O)NCCNC(=O)c2cnccn2)CCC1 357466735 CXTOGKXPHCSGDT-UHFFFAOYSA-N 323.378 -0.180 30 20 DBED N#CCNC(=O)CNC(=O)NCC(=O)Nc1ccc(F)cc1 358283770 YALGQSQRKFKAHL-UHFFFAOYSA-N 307.285 -0.297 30 20 DBED C=CCNc1nnc(S(=O)(=O)CC(=O)NC(C)C)s1 358745891 ZGMWJIZFTHWLDP-UHFFFAOYSA-N 304.397 0.434 30 20 DBED N#C[C@H]1COCCN1C[C@@H](O)CN1C(=O)c2ccccc2C1=O 362485589 OWGSFBYBJNHFEU-NWDGAFQWSA-N 315.329 -0.132 30 20 DBED Cn1c(N2C[C@H]3[C@H]4CC[C@@H](O4)[C@H]3C2)c(C#N)c(=O)n(C)c1=O 374069763 ZSIGGPYFTZXEQZ-WRWGMCAJSA-N 302.334 -0.431 30 20 DBED CO[C@@H]1COC[C@@H]1NC(=O)C(=O)N1CCc2ccc(C#N)cc21 411726678 YVBHLGYCHDRGOU-GXTWGEPZSA-N 315.329 -0.023 30 20 DBED CCC[C@@H](O)[C@H](CO)NC(=O)CNC(=O)c1ccc(C#N)cc1 412542669 WQBNADQQWRNFRH-UONOGXRCSA-N 319.361 -0.074 30 20 DBED Cc1ncc(S(=O)(=O)Nc2ccn(CC(N)=O)n2)cc1C#N 427119430 IXJIBEHUYPJCRV-UHFFFAOYSA-N 320.334 -0.256 30 20 DBED COCCCS(=O)(=O)N1CCN(C(=O)[C@H](C)C#N)CC1 433338183 UQFWZGULEJBROF-LLVKDONJSA-N 303.384 -0.343 30 20 DBED C#CCNS(=O)(=O)c1ccc(C(=O)NCCOC(C)=O)cc1 490916008 RCHPBFXQQAWQDT-UHFFFAOYSA-N 324.358 -0.109 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(C)Cc2ncc[nH]2)C1=O 518942863 CUHRHUWGISELHU-UHFFFAOYSA-N 305.294 -0.655 30 20 DBED N#Cc1ccccc1OC[C@H](O)CN1CC[C@H](CO)[C@@H](O)C1 528469364 GTXCNLFJYYPZLI-KFWWJZLASA-N 306.362 -0.027 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C)[C@@H]2CCOC2)C1=O 545959874 FDFQDNLNCKDEAK-NXEZZACHSA-N 309.322 -0.496 30 20 DBED N#CC1(NC(=O)c2nc(N)nc(N3CCOCC3)n2)CCC1 571051451 XIMBCQIXQQTOSG-UHFFFAOYSA-N 303.326 -0.534 30 20 DBED CCN1CCCN(C(=O)C(=O)Nc2cccc(C#N)n2)CC1=O 573723807 ZHUAKFYHPCDEHX-UHFFFAOYSA-N 315.333 -0.027 30 20 DBED CC(C)NS(=O)(=O)CCNC[C@H](O)CN(C)CCC#N 583317762 XBTQNEPCSDUGFZ-LBPRGKRZSA-N 306.432 -0.890 30 20 DBED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CCO[C@H]3C[C@H]32)n1 590277754 TXOSTBXRJIHWMS-MNOVXSKESA-N 317.349 0.448 30 20 DBED COC(=O)[C@@H]1C[C@H](O)CN(C(=O)Nc2ccn(CCC#N)n2)C1 592229948 SPOVJAAOPMIXRU-MNOVXSKESA-N 321.337 0.184 30 20 DBED COC[C@]1(C(=O)O)CCN(S(=O)(=O)N(C)[C@H](C)CC#N)C1 593271536 IEKKJHFFNRZNIL-PWSUYJOCSA-N 319.383 -0.112 30 20 DBED CC(C)[C@](C)(C#N)NC(=O)CN1C(=O)N[C@]2(CCOC2)C1=O 611115404 SBVXGVCEZSOYDL-KBPBESRZSA-N 308.338 -0.248 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CS(=O)(=O)C[C@@H]2OC)nn1 617868757 KQANAMTXGWOPCD-UWVGGRQHSA-N 300.340 -0.994 30 20 DBED CCC(=O)C[C@H](NS(=O)(=O)N(C)C[C@@H](C)C#N)C(=O)O 650412591 OSRSQNRBAJVVOC-WPRPVWTQSA-N 305.356 -0.265 30 20 DBED C=C[C@H](O)C(=O)NCc1ccc([C@@]2(C)NC(=O)NC2=O)cc1 667894976 HXEVDJGXDMEGMK-XHDPSFHLSA-N 303.318 -0.096 30 20 DBED O=C(NCC#CCNC(=O)c1cnsn1)c1cnsn1 753663906 NNZSFWJCDGKORC-UHFFFAOYSA-N 308.348 -0.447 30 20 DBED NC(=O)CNC(=S)NN=Cc1ccc2c(c1)NC(=O)CO2 788715492 HMNGSQUBXRZANW-UHFFFAOYSA-N 307.335 -0.699 30 20 DBED C#CCC[C@@H](O)CNC(=O)[C@H]1CCCN(S(=O)(=O)CC)C1 799080258 WDYKGCLXWRTHPC-QWHCGFSZSA-N 316.423 -0.061 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N[C@@H](C)C(=O)NCCF 799971021 PGQYAYBTKBDFQJ-VIFPVBQESA-N 309.363 -0.639 30 20 DBED NS(=O)(=O)c1cc(C=Nn2c(O)nnc2O)ccc1Cl 814940422 WNQQOJRQVIHHIP-UHFFFAOYSA-N 317.714 -0.128 30 20 DBED C=CCN1CC[C@H](N2CCCC[C@H]2CS(N)(=O)=O)C1=O 820478023 DJEZWUMRDVFSBP-RYUDHWBXSA-N 301.412 -0.084 30 20 DBED C#CCCN(CCOC)C(=O)NCCn1cc(C(=O)OC)nn1 854051833 ZPIRKGKPKCJUGO-UHFFFAOYSA-N 323.353 -0.254 30 20 DBED C=C[C@](C)(O)C(=O)NC[C@@H]1CN(C(=O)[C@@](C)(O)C=C)CCO1 871460652 BGIASMRCCOKNEC-UGFHNGPFSA-N 312.366 -0.796 30 20 DBED C#CC1(O)CN(C(=O)C[C@H]2CS(=O)(=O)c3ccccc3O2)C1 890526761 WWENLXGORLVSKX-NSHDSACASA-N 321.354 -0.182 30 20 DBED CCS(=O)(=O)NCCNC(=O)COc1cccc(C#N)c1 917101866 QLOXAQOUVPVJNL-UHFFFAOYSA-N 311.363 -0.007 30 20 DBED O=C(CN1CCN(C(=O)NCC#CCO)CC1)N1CCCCC1 923788031 GPGWUFZICWBMMY-UHFFFAOYSA-N 322.409 -0.678 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)c2coc(C=O)c2)CC1 932037991 SPIMOMXFHFEFKM-UHFFFAOYSA-N 317.345 -0.011 30 20 DBED CN(C(=O)c1cnn[nH]1)[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 937196448 WHUKLMCDZJKSJZ-LLVKDONJSA-N 313.321 -0.009 30 20 DBED O=C(N[C@H]1CCN(C(=O)C#CC2CC2)C1)c1cnnc(O)c1 938115144 OCAKBAAHJIMPOL-LBPRGKRZSA-N 300.318 -0.074 30 20 DBED N#Cc1cc(C(=O)NC[C@@H]2CCN2C(=O)Cc2nc[nH]n2)c[nH]1 949497321 HESLWKSIDRIXJB-NSHDSACASA-N 313.321 -0.422 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H](NC(=O)c2cc(=O)n(C)cn2)C1 951870416 RZKKEWFEHIYCEC-QWRGUYRKSA-N 317.349 -0.339 30 20 DBED CN(C(=O)c1c[nH]c(C#N)c1)C1CN(C(=O)c2cnon2)C1 954107088 UQKBWNZJZLJCIN-UHFFFAOYSA-N 300.278 -0.134 30 20 DBED C#CCCN1C[C@H](CNC(=O)c2cc(CN(C)C)on2)[C@@H](O)C1 958200061 OGXDQHMCVGTSBH-WFASDCNBSA-N 320.393 -0.218 30 20 DBED Cc1nc2c(C(=O)NC[C@@H]3CN(CC#N)C[C@@H]3O)ccnc2[nH]1 958273182 OUDYEMMCNKUOLF-PWSUYJOCSA-N 314.349 -0.188 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2nnn(CC)c2CC)C1 958403298 CLVVGRQRTJBHTO-YPMHNXCESA-N 305.382 -0.484 30 20 DBED C=C1CC(C)(C(=O)N2C[C@@H](NC(=O)Cn3cnnn3)[C@H](C)C2)C1 958653137 RVLGUKUWGHDTAQ-VXGBXAGGSA-N 318.381 -0.008 30 20 DBED N#CCN1C[C@H]2[C@H](NC(=O)[C@@H]3CCc4nnc(O)n4C3)[C@H]2C1 960659353 UTPYDONLNCBTRL-SVDPJWKOSA-N 302.338 -0.884 30 20 DBED C=C(C)CCN1C[C@H]2[C@H](NC(=O)Cn3ccc(O)nc3=O)[C@H]2C1 960849073 AJZFXMKTKZBENP-JYAVWHMHSA-N 318.377 -0.039 30 20 DBED C=C(C)CCN1C[C@H]2[C@H](NC(=O)[C@@H]3CCS(=O)(=O)N3)[C@H]2C1 962609345 SMBNQAFAZLLVGB-QNWHQSFQSA-N 313.423 -0.309 30 20 DBED C[C@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1NC(=O)c1ccc(C#N)[nH]1 966681347 HPXWVWILIWGQEQ-KWQFWETISA-N 313.321 -0.105 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCC(=O)NC1 969356055 ZTYNWJUTHJQVDH-LPWJVIDDSA-N 318.377 -0.126 30 20 DBED N#CCN1CCO[C@]2(CCN(C(=O)CCN3CCOCC3)C2)C1 972599755 YTKAEEIHGBLTIJ-MRXNPFEDSA-N 322.409 -0.464 30 20 DBED CN(C[C@@H]1CCN1C(=O)C#CC1CC1)C(=O)[C@H]1CNC(=O)N1 978308255 SUZLAJJFQVOFET-NWDGAFQWSA-N 304.350 -0.860 30 20 DBED CCO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1CNC(=O)c1cnn[nH]1 983258305 IHLNZMYYLKPRGW-CKYFFXLPSA-N 320.353 -0.442 30 20 DBED Cc1nc(O)nc(O)c1CC(=O)N1CC[C@@H](NCC#N)[C@H]1C 987236994 MKFUSEQJVBZGML-MWLCHTKSSA-N 305.338 -0.159 30 20 DBED C[C@@]1(C(=O)N2CC(NC(=O)c3ccc(C#N)[nH]3)C2)CNC(=O)C1 990898403 KAYMUSOSJJXQSS-HNNXBMFYSA-N 315.333 -0.647 30 20 DBED N#Cc1cc(C(=O)N2CC(NC(=O)CN3CCOCC3)C2)c[nH]1 990902736 IOUJQFGPZLOFFU-UHFFFAOYSA-N 317.349 -0.841 30 20 DBED C[C@H](C#N)C(=O)N1CC(N2C[C@H](NC(=O)C3CC3)CC2=O)C1 995467388 YBQMARHYQIECLR-MWLCHTKSSA-N 304.350 -0.516 30 20 DBED C#CCN[C@@H]1CN(C(=O)CC[C@H]2NC(=O)NC2=O)CC1(C)C 996582996 FJHLWYJIXZATDY-GHMZBOCLSA-N 306.366 -0.566 30 20 DBED C=C(Cl)CNC1CC(N(C)C(=O)CN2C(=O)CNC2=O)C1 999805961 UGJFGAGVQRBWMW-UHFFFAOYSA-N 314.773 -0.130 30 20 DBED CC1(C)C(=O)NC(=O)N1CC(=O)N1CCC[C@H](NCC#N)C1 1000626521 VOAUTFZTWKEORS-JTQLQIEISA-N 307.354 -0.579 30 20 DBED COc1c[nH]c(C(=O)NCC2CN(C(=O)[C@H](C)C#N)C2)cc1=O 1003219851 GYKFXIWJGDXSEK-SECBINFHSA-N 318.333 -0.269 30 20 DBED CC1(C)CN(C(=O)C#CC2CC2)C[C@@H]1NC(=O)Cn1cnnn1 1007853209 QEXKOFTXCVFZRN-LBPRGKRZSA-N 316.365 -0.560 30 20 DBED N#CCN1CCC[C@H](NC(=O)[C@@H]2CN3CC4CC3(CO2)C4)C1 1007992494 XNHNZUYNHIMBTO-WJEHIRDRSA-N 304.394 -0.046 30 20 DBED C#CCCN1CCC[C@@H](NC(=O)CN2CCC(=O)NC2=O)C1 1009102755 JYYILTOKUZTYSY-GFCCVEGCSA-N 306.366 -0.468 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(C1)CN(C(=O)[C@H]1CCN(C)C1=O)C2 1019301259 LGTFZEVLABKKDO-RYUDHWBXSA-N 318.377 -0.315 30 20 DBED Cc1nn[nH]c1C(=O)N1C[C@@H]2CCN(C(=O)[C@H](C)C#N)[C@@H]2C1 1022573099 OGCGXQHZXYCSTM-DVVUODLYSA-N 302.338 -0.054 30 20 DBED Cc1cnn(C)c1C(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1O 1025135951 JPJQGRDYKONFKB-JMJZKYOTSA-N 305.338 -0.810 30 20 DBED C[C@@H](c1nnnn1C)N1CC(CNC(=O)c2c[nH]c(C#N)c2)C1 1031623248 ZETCPBYNUZAROH-VIFPVBQESA-N 314.353 -0.167 30 20 DBED C#CCN1CC[C@@H](N(C)C(=O)[C@H]2C[C@H](OC)CN2C(C)=O)C1 1033292724 GFWRPTNGIXBBFH-QLFBSQMISA-N 307.394 -0.212 30 20 DBED N#CCN[C@H]1CC[C@H](NC(=O)[C@@H]2Cc3cncn3C(=O)N2)CC1 1034698059 ZSDUFYMVFCBVKX-GVXVVHGQSA-N 316.365 -0.094 30 20 DBED N#CCN1CCC2(CCN(C(=O)C3CC(=O)NC(=O)C3)CC2)C1 1035237916 JNFPACZBCFZTAT-UHFFFAOYSA-N 318.377 -0.123 30 20 DBED C#CCCN1CCO[C@H](CNC(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1 1035373639 UITPZBOQDNYLCN-MGPQQGTHSA-N 307.394 -0.259 30 20 DBED C=CC(C)(C)CC(=O)NC[C@]1(O)CCN(C(=O)CC(N)=O)C1 1039821172 DVQMSEHRTHSFJL-OAHLLOKOSA-N 311.382 -0.456 30 20 DBED C[C@H]1[C@@H](Nc2nccnc2C#N)CCN1C(=O)[C@@H]1COC(=O)N1 1040114266 XHEZBUXGMFMOAE-QXEWZRGKSA-N 316.321 -0.142 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)c2cncn2C)C1 1040235270 QQVJWGFMRBLVIE-YGRLFVJLSA-N 305.338 -0.727 30 20 DBED N#Cc1nccnc1N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[C@@H]2C(F)F)C1 1041008318 RBYIOCWAGWGSIQ-OINDSLJFSA-N 323.303 -0.085 30 20 DBED Cc1nn(C)cc1C(=O)NCC1(O)CN(C(=O)[C@@H](C)C#N)C1 1042144815 DMRLEZMXBVUDGM-VIFPVBQESA-N 305.338 -0.809 30 20 DBED C=CCN1CC[C@@H]2CCN(C(=O)Cn3c(O)nnc3O)C[C@@H]21 1042327392 WTYYSTSMRCHJIH-MNOVXSKESA-N 307.354 -0.202 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(O)CN(C(=O)C2CC=CC2)C1 1042806518 HMUUFCUCOVDKBI-HNNXBMFYSA-N 308.378 -0.031 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)CCCF)C1 1043042986 AFEKAPHTODIZNS-NSHDSACASA-N 300.330 -0.536 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)C2(C(F)F)CC2)C1 1043053798 MPHAIILESPFXSU-QMMMGPOBSA-N 301.293 -0.119 30 20 DBED C=C(C)CCC(=O)NCC1(O)CN(C(=O)CNC(=O)CC)C1 1043312690 WOFWYKDCRWXDMT-UHFFFAOYSA-N 311.382 -0.442 30 20 DBED C#Cc1ccc(C(=O)NCC2(O)CN(C(=O)CSC)C2)nc1 1044251154 HFRMOPKPVYJXFW-UHFFFAOYSA-N 319.386 -0.271 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)[C@H]2CCCNC2=O)C1 1044474977 HMIWCULIBJNIAA-NSHDSACASA-N 323.393 -0.586 30 20 DBED CC#CCCCC(=O)N1CC(O)(CNC(=O)c2nc[nH]n2)C1 1044789855 RSIONPWUHNKUHP-UHFFFAOYSA-N 305.338 -0.699 30 20 DBED C=C(C)CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2COCCN2C)C1 1047355677 JWMYDFJKGFNQHR-KKUMJFAQSA-N 311.426 -0.213 30 20 DBED CO[C@H](C)C(=O)N(C)[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1O 1048416480 ZCSFLZRZWUEUNN-ICCXJUOJSA-N 320.349 -0.435 30 20 DBED CC(C)C#CC(=O)N(C)[C@H]1CN(C(=O)Cc2ccon2)C[C@@H]1O 1048810716 FHBSLMHPENMLTH-KBPBESRZSA-N 319.361 -0.093 30 20 DBED C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)CN1CC(=O)NC1=O 1049791468 VIUDBXVAWNWMHZ-NWDGAFQWSA-N 304.350 -0.763 30 20 DBED C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)CN1CCC(=O)NC1=O 1049832862 ZIJMYLJEJBHJBG-QWHCGFSZSA-N 318.377 -0.373 30 20 DBED CC#CCN1CCOC[C@H]1CNC(=O)c1ccc(=O)n(C)c1 1051001488 SMZQYGSPHIEMLC-CQSZACIVSA-N 303.362 -0.161 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)c1ccc(CNC(C)=O)o1 1051169117 RVEZOHMDQRVMGE-ZDUSSCGKSA-N 319.361 -0.021 30 20 DBED C=CCN1CCC[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)CC1 1052945166 DLIRJBDSFZMZGQ-NWDGAFQWSA-N 301.412 -0.165 30 20 DBED C=CCN1CC2(C1)CN(C(=O)[C@@H](C)N1C(=O)CCC1=O)CCO2 1053281081 OVVRPGYLUNZFOY-GFCCVEGCSA-N 321.377 -0.377 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)c1cn(C)ccc1=O)CCO2 1053336361 YDDYQUYAWUBFLV-UHFFFAOYSA-N 315.373 -0.065 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)Cc3cn(CC)nn3)CO2)C1 1053879574 UNLAADLXTRTNLI-CQSZACIVSA-N 317.393 -0.177 30 20 DBED CC(C)N1CCO[C@@H](C(=O)N[C@@H]2COC3(C2)CN(CC#N)C3)C1 1053904054 DTRHZEPXFXRNRT-UONOGXRCSA-N 322.409 -0.421 30 20 DBED C=CCOCC(=O)N1C[C@@H]2CN(C(=O)CC(=O)NC)C[C@@H]2C1 1055247998 BJVKZIVIHRNSIZ-TXEJJXNPSA-N 309.366 -0.758 30 20 DBED N#Cc1nccc(N2C[C@@H]3C(NC(=O)[C@@H]4CCC(=O)N4)[C@H]3C2)n1 1056261390 CTRHWQGZKBXRDJ-GUBZILKMSA-N 312.333 -0.822 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)c1cnccn1 1056834310 YAJOPQQTPBLSAO-UHFFFAOYSA-N 308.338 -0.770 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](N(C)c2ccc3nnnn3n2)C1 1056871403 KFOMOGJUEIRQKY-UWVGGRQHSA-N 300.326 -0.284 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)c1cc(=O)n(C)cn1 1057175068 SUIZWMSNUGOTRF-UHFFFAOYSA-N 322.365 -0.703 30 20 DBED C=C[C@](C)(O)CC(=O)N(CCO)CCNC(=O)[C@@H](C)OC 1057449584 FBGDYRORQKISIQ-RISCZKNCSA-N 302.371 -0.715 30 20 DBED C#CCO[C@H](C)C(=O)N(CCO)CCNC(=O)[C@H](F)C(C)C 1057588059 RNCPKTKCEWMRHH-CHWSQXEVSA-N 316.373 -0.044 30 20 DBED C=CCCOCC(=O)N(CCO)CCNC(=O)CCCOC 1057919395 ZDLXVGWLVSTIQV-UHFFFAOYSA-N 316.398 -0.057 30 20 DBED C=CCCOCC(=O)N(CCO)CCNC(=O)c1c[nH]nc1C 1057920604 XEFXLHJIJBSHDN-UHFFFAOYSA-N 324.381 -0.138 30 20 DBED CCc1cc(C(=O)N(CCO)CCNC(=O)[C@H](C)C#N)nn1C 1058007929 HIBBSCZMXXWUGS-LLVKDONJSA-N 321.381 -0.307 30 20 DBED CN1CC[C@@H](C(=O)N[C@@H]2CCN(c3ccnc(C#N)n3)C2)C1 1058373435 IHERBZAMLUXTIZ-VXGBXAGGSA-N 300.366 -0.005 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](CCNC(=O)CCn2cnnn2)C1 1060285815 DYNDMMRHVRCJNZ-NEPJUHHUSA-N 319.369 -0.422 30 20 DBED N#Cc1cncc(NC[C@H]2CCN(C(=O)Cn3nccn3)C2)n1 1060925853 ZERBYQZCCQWVTM-LLVKDONJSA-N 312.337 -0.100 30 20 DBED N#Cc1cnc(N2CCC[C@H]2CNC(=O)[C@H]2C[C@H]2C(N)=O)cn1 1061444697 GDDMUMMJKQHGAA-TUAOUCFPSA-N 314.349 -0.445 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)Cc1ccon1 1061451713 KZPTZGYUYWPBAI-ZYHUDNBSSA-N 306.322 -0.280 30 20 DBED CC(C)C#CC(=O)N1CCOC[C@@H]1CNC(=O)[C@H]1C[C@H]1C(N)=O 1061905456 GHILMWBCZMVFAC-XQQFMLRXSA-N 321.377 -0.889 30 20 DBED Cn1ncc(C(=O)N[C@@H]2[C@H]3C[C@H]2N(c2ccc(C#N)nn2)C3)n1 1064275133 MXBMETBTCWFRCH-RLCGTCKNSA-N 310.321 -0.516 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@H]1CN(C(=O)c2cn[nH]c2)CCO1 1064895835 LCUJESSFUKBKSP-SWLSCSKDSA-N 322.365 -0.306 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CN(C(=O)Cc2cc[nH]n2)CCO1 1065004442 CAUWSMGHJKVQGX-CMPLNLGQSA-N 305.338 -0.545 30 20 DBED Cn1cnc(C(=O)N[C@]2(C)CCN(c3ccnc(C#N)n3)C2)n1 1065249630 YBRFKVPETKPZDR-CQSZACIVSA-N 312.337 -0.124 30 20 DBED N#Cc1nccc(N2C[C@H]3C[C@H](NC(=O)C(N)=O)C[C@H]2C3)n1 1065553972 RRBOFMNYTPLWNO-LPEHRKFASA-N 300.322 -0.693 30 20 DBED CO[C@@H](C)C(=O)N1CCO[C@H](CN=c2cc[nH]c(C#N)n2)C1 1066585361 ZMRWSGITBOAABM-WDEREUQCSA-N 305.338 -0.556 30 20 DBED Cc1cc(C#N)nc(NC2(C)CCN(C(=O)C(N)=O)CC2)n1 1067291146 CZHZMXKCUCVUAN-UHFFFAOYSA-N 302.338 -0.065 30 20 DBED C[C@H](Nc1ncccc1C#N)[C@@H]1CN(C(=O)C(N)=O)CCO1 1068243397 IYPDNXYKBICLKD-ONGXEEELSA-N 303.322 -0.534 30 20 DBED C#CCO[C@H](C)C(=O)N1CC2(CN(C(=O)[C@H](C)OC)CCO2)C1 1068327131 IAPHQVFQCRJMOP-QWHCGFSZSA-N 324.377 -0.501 30 20 DBED C=CCCC(=O)N[C@H]1COC2(C1)CN(C(=O)[C@H]1CCNC1=O)C2 1068751211 MJJAZOBCGAFYFA-NEPJUHHUSA-N 321.377 -0.425 30 20 DBED C[C@H]1C[C@@H](Nc2cncc(C#N)n2)CN1C(=O)c1nnn(C)n1 1069178151 KTPDVCSFYDVQPT-DTWKUNHWSA-N 313.325 -0.413 30 20 DBED N#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)Cc2cncs2)C1 1069952504 PKWQSLYRCPCDGB-NEPJUHHUSA-N 317.378 -0.158 30 20 DBED CCNC(=O)CC(=O)NCC1(NC(=O)[C@H](C)C#N)CCOCC1 1070230682 BHZKNBSVBYRJHV-LLVKDONJSA-N 324.381 -0.546 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)Cn2cccn2)CC1 1070939324 FZWLBYCFXRMGRH-UHFFFAOYSA-N 305.382 -0.280 30 20 DBED Cc1nc[nH]c1CC(=O)N1CCC(=O)NCCN(CC#N)CC1 1071017333 SVTMIMOHVSIFPV-UHFFFAOYSA-N 318.381 -0.565 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(C(=O)CCN(C)C)C[C@@H]1C 1072671929 OICPBSAZDMSKQQ-QWHCGFSZSA-N 322.409 -0.959 30 20 DBED CC#CCN1CCC2(C1)CN(C(=O)CN1CCN(C)C(=O)C1)C2 1072867463 DTZPFDOANNJLHB-UHFFFAOYSA-N 318.421 -0.682 30 20 DBED C=CCO[C@H](C)C(=O)NC1(C)CCN(C(=O)CC(N)=O)CC1 1072917058 FHJBTMOUPQBVQJ-LLVKDONJSA-N 311.382 -0.050 30 20 DBED C=CCOCC(=O)NCC[C@H](C)NC(=O)CN1CCCC1=O 1075916730 PGNWFXITMCLQME-LBPRGKRZSA-N 311.382 -0.178 30 20 DBED C=CCCC(=O)N[C@@H](C)CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 1076541393 YYMHBYRVAZCJPW-UWVGGRQHSA-N 310.354 -0.438 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)c2ccc3nnnn3c2)C1 1077378548 VYOPDRZMENMNDN-VXGBXAGGSA-N 302.338 -0.525 30 20 DBED C[C@@H](CCNC(=O)[C@H](C)C#N)NC(=O)c1ccc(C(N)=O)[nH]1 1078138334 XUVWKNFYTLQUDI-BDAKNGLRSA-N 305.338 -0.102 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)c2cccc(NC(N)=O)c2)C1 1078158898 BGMDTYIEVBZJMS-ZIAGYGMSSA-N 316.361 -0.025 30 20 DBED CCN(C(=O)Cn1nccn1)C1CN(C(=O)C#CC(C)C)C1 1079847099 QPZHQJYOWQBUMW-UHFFFAOYSA-N 303.366 -0.003 30 20 DBED C[C@H](C#N)C(=O)NC1(CO)CCN(C(=O)Cn2ccnc2)CC1 1080983899 ZNIBCODLCGOGAH-GFCCVEGCSA-N 319.365 -0.488 30 20 DBED C#CCCCCC(=O)NC[C@H]1CN(C(=O)CNC(C)=O)C[C@@H]1O 1081417731 XTOSOIRRADTORS-KBPBESRZSA-N 323.393 -0.748 30 20 DBED CNC(=O)CC(=O)N1C[C@@H](O)[C@H](CNC(=O)C#CC(C)(C)C)C1 1081472977 BFURIXMIHZTBPQ-VXGBXAGGSA-N 323.393 -0.893 30 20 DBED C=C(Cl)C(C)(C)C(=O)N1C[C@H](CNC(=O)C(N)=O)[C@@H](O)C1 1081719121 MUIZRYWMIJXWBK-IUCAKERBSA-N 317.773 -0.814 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CCCCN1C(=O)CN1CCOCC1 1082012254 CNPJZOWRLOIKBV-KBPBESRZSA-N 322.409 -0.024 30 20 DBED C=CCN1CC[C@@H](N[C@@H]2CN(C(=O)CC(N)=O)C[C@H]2C)C1=O 1082454172 BUUQMSZFSRXZQR-IJLUTSLNSA-N 308.382 -0.915 30 20 DBED C#Cc1ccc(C(=O)N2CCO[C@@H]3CN(C[C@@H](C)O)C[C@@H]32)cn1 1083252996 RAQGABJTPWFRPH-UHOFOFEASA-N 315.373 -0.031 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCCCN(C)C2=O)C1 1083947224 KXKKVPDCOCNHJM-MJBXVCDLSA-N 307.394 -0.571 30 20 DBED C#CCCN1C[C@H]2CC[C@H]1[C@H]1CN(C(=O)Cn3ncnn3)C[C@H]21 1087358148 CEODFJLYKXMKFA-KBXIAJHMSA-N 314.393 -0.135 30 20 DBED C#CCN1C[C@H]2CC[C@H]1[C@H]1CN(C(=O)Cn3ncnn3)C[C@@H]21 1087358240 DBMAKFQKPDZGSW-RFGFWPKPSA-N 300.366 -0.525 30 20 DBED C=CCCN1CC[C@@H](NC(=O)c2cccn3nnnc23)[C@H](O)C1 1090296189 XFEQOIFKGCDVPT-CHWSQXEVSA-N 316.365 -0.135 30 20 DBED CC(=O)CCCC(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1091063302 OEMZGLINRFWTOV-NEPJUHHUSA-N 317.349 -0.227 30 20 DBED CS[C@@H](C)C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1091066465 VYOXOVDQAPOCOA-AEJSXWLSSA-N 307.379 -0.235 30 20 DBED CCC(=O)NCC(=O)N[C@H]1CCN(c2ccnc(C#N)n2)[C@@H]1C 1091944057 VBYCARKNXNNQMG-MNOVXSKESA-N 316.365 -0.042 30 20 DBED CNC(=O)NCC(=O)N[C@H]1CCN(c2ccc(C#N)nc2)[C@@H]1C 1092057035 AAOKNLDHKOKCQR-MFKMUULPSA-N 316.365 -0.034 30 20 DBED Cc1cc(=NCCNC(=O)[C@H](C)CS(C)(=O)=O)c(C#N)c[nH]1 1093681885 SKBWTKLMXRNBQM-SNVBAGLBSA-N 324.406 -0.108 30 20 DBED N#Cc1cnc(NCCNC(=O)C[C@H]2CCCS2(=O)=O)cn1 1094011624 NABADDDRWBSXKF-LLVKDONJSA-N 323.378 -0.156 30 20 DBED N#Cc1ccc(NCCCNC(=O)CCn2ccnn2)nn1 1094408937 FFPDTLOJCLQKGR-UHFFFAOYSA-N 300.326 -0.052 30 20 DBED CNC(=O)CC(=O)N1CCC(Nc2ccc(C#N)nn2)CC1 1095223865 BGZYEPKZTMXMBI-UHFFFAOYSA-N 302.338 -0.113 30 20 DBED CN(CCCNC(=O)[C@@H]1COC(=O)N1)c1cncc(C#N)n1 1095547240 SDWDIEBFKNIBQR-JTQLQIEISA-N 304.310 -0.601 30 20 DBED CN(C)C(=O)CC(=O)N1CC[C@H](Nc2nccnc2C#N)C1 1096980093 SQGPSEYQDGJCAO-JTQLQIEISA-N 302.338 -0.161 30 20 DBED C=CCN(CCO)C1CCN(C(=O)[C@@H]2CCCNC2=O)CC1 1098399924 WUNFDLVWISRSMD-CQSZACIVSA-N 309.410 -0.016 30 20 DBED C[C@H]1CN(C(=O)[C@H]2CCNC2=O)CC2(CCN(CC#N)CC2)O1 1098619851 NRWNQZIJSRLKKU-STQMWFEESA-N 320.393 -0.272 30 20 DBED CN1CCOC[C@@H]1C(=O)N1C[C@@H](NCC#N)[C@H](C(F)(F)F)C1 1099240171 HWSMERMGHMETFS-GMTAPVOTSA-N 320.315 -0.181 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2cn(C)cn2)[C@H](O)C1 1099766369 JXFNGPKXSTUBFG-TZMCWYRMSA-N 306.366 -0.765 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)C(C)=C2CCC2)[C@@H](O)C1 1099811943 AGTKNJVVKVCIIL-GJZGRUSLSA-N 319.405 -0.212 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)c2csnn2)[C@@H](O)C1 1099935632 RNOWDVKEWCLHGO-JQWIXIFHSA-N 312.395 -0.094 30 20 DBED N#CCN1CC[C@@H](NC(=O)CNC(=O)C2CCCCC2)[C@@H](O)C1 1100096784 NBIYDZLEECUUBS-KGLIPLIRSA-N 322.409 -0.242 30 20 DBED CN(CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)c1ccc(C#N)nc1 1100324298 GXZDBUUCUWSMOS-QWHCGFSZSA-N 317.349 -0.461 30 20 DBED C=CCOCC(=O)NCCN(CC)c1ncnc2c1nnn2C 1100466191 HZAIKROBICZGLY-UHFFFAOYSA-N 319.369 -0.097 30 20 DBED CS(=O)(=O)CC(=O)NC[C@@H]1CCCN1c1cncc(C#N)n1 1100800970 MLSJPOVDUUSUAH-NSHDSACASA-N 323.378 -0.522 30 20 DBED C[C@H](CC(N)=O)C(=O)NC[C@@H]1CCN(c2nccnc2C#N)C1 1101035867 MTCQVQYQLFRKTQ-MNOVXSKESA-N 316.365 -0.198 30 20 DBED C=CCOCC(=O)N1C[C@H]2CN([C@H]3CCNC3=O)C[C@@]2(C)C1 1101175493 QFPBDIVHXHPBRT-WWGRRREGSA-N 307.394 -0.142 30 20 DBED Cn1nnc(C(=O)NCCN(c2cnc(C#N)cn2)C2CC2)n1 1101423668 GOQXDSZUACRCMD-UHFFFAOYSA-N 313.325 -0.729 30 20 DBED COCC#CCN1C[C@@H]2CN(C(=O)CCNC(N)=O)C[C@]2(C)C1 1101457701 ODDGVDWFNKNJSA-CJNGLKHVSA-N 322.409 -0.525 30 20 DBED CN(CCNc1cnc(C#N)cn1)C(=O)C1CC(=O)NC(=O)C1 1101683443 FZSZJJHGDQJRIQ-UHFFFAOYSA-N 316.321 -0.729 30 20 DBED CCCOCC(=O)NC[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1101793858 LIRUIIJBLAXIKB-CHWSQXEVSA-N 310.398 -0.263 30 20 DBED C=CCOCCN1C[C@@H](C)[C@H](CNC(=O)[C@H]2CNC(=O)N2)C1 1102292221 DRTBOEYCSIBLLU-JHJVBQTASA-N 310.398 -0.446 30 20 DBED CC[C@@H](CNC(=O)CCn1cnnn1)Nc1ccc(C#N)nn1 1103173755 PWYUMWXZFLCEMX-JTQLQIEISA-N 315.341 -0.268 30 20 DBED C#CCOCCC(=O)NC[C@@H](CC)Nc1nccn2nnnc12 1103193167 NOOUBUYPPJDQAN-LLVKDONJSA-N 317.353 -0.134 30 20 DBED C[C@@H](CNc1cnc(C#N)cn1)N(C)C(=O)[C@@H]1CNC(=O)N1 1104784636 IDKDRYSJZVKDSB-WPRPVWTQSA-N 303.326 -0.712 30 20 DBED C#CCNCc1cn(C2CN(C(=O)[C@H]3C[C@H]4C=C[C@H]3O4)C2)nn1 1105272276 FCBBDURLPCIAGY-QLFBSQMISA-N 313.361 -0.272 30 20 DBED CN(CCN(C)c1cnc(C#N)cn1)C(=O)[C@@]1(C)CNC(=O)C1 1105510729 OPDJPPFNMNOGBQ-OAHLLOKOSA-N 316.365 -0.231 30 20 DBED Cc1ccnc(C(=O)NC[C@H](O)CN=c2cc[nH]c(C#N)n2)n1 1105804717 YOSUIDZTRWFNBI-SNVBAGLBSA-N 313.321 -0.929 30 20 DBED Cn1nncc1C(=O)NC[C@H](O)CNc1ncccc1C#N 1105833954 STBGCXIRXGOFLV-SNVBAGLBSA-N 301.310 -0.715 30 20 DBED Cc1nc(NC[C@H](O)CNC(=O)CCCC(N)=O)ccc1C#N 1105882610 JBBFEPGXIXYEHK-LBPRGKRZSA-N 319.365 -0.194 30 20 DBED N#Cc1nc(=NC[C@H](O)CNC(=O)c2cc(F)c[nH]2)cc[nH]1 1106024029 JSWZIGNDISLYRY-VIFPVBQESA-N 304.285 -0.560 30 20 DBED N#Cc1cnc(NC[C@@H](O)CNC(=O)c2n[nH]cc2F)cn1 1106083925 XKSHIAKWSSWXHA-MRVPVSSYSA-N 305.273 -0.587 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@@H](C)[C@H](CNCC(=O)N2CCC2)C1 1106111268 KQQGIRHQDOMPKT-RBSFLKMASA-N 321.421 -0.059 30 20 DBED Cc1nn[nH]c1C(=O)N1C[C@@H](C)[C@H](CNCC(=O)NCC#N)C1 1106511622 NWNPJWCPYBHOCR-MWLCHTKSSA-N 319.369 -0.949 30 20 DBED Cc1cc(=NC/C=C\CNC(=O)[C@@H]2CNC(=O)N2)c(C#N)c[nH]1 1107492562 NHVFNTKTESZEHV-ZRMMWKCHSA-N 314.349 -0.551 30 20 DBED C[C@@]1(C(=O)NC/C=C/CNc2nccnc2C#N)CCNC1=O 1107508717 OAGVRPFZOFWILL-FAAWYNLUSA-N 314.349 -0.041 30 20 DBED C[C@@H](C(=O)NC/C=C\CNc1nccnc1C#N)S(C)(=O)=O 1107576380 LUPQDKUHZFJNAN-XOULXFPDSA-N 323.378 -0.134 30 20 DBED CCn1ncc(C(=O)N[C@H](C)CN=c2cc[nH]c(C#N)n2)n1 1107737399 XZHHIPWFYMMRGW-SECBINFHSA-N 300.326 -0.388 30 20 DBED CC#CCN1CCO[C@@](C)(CNC(=O)CCn2cncn2)C1 1107743796 YOZPVSSERUNLOC-HNNXBMFYSA-N 305.382 -0.101 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)c2nnn(C(C)(C)C)n2)C1 1107956765 PLBFOOBTFQCJNY-OAHLLOKOSA-N 320.397 -0.118 30 20 DBED C=CCCC(=O)N1CCN(C[C@@H](C)O)[C@H]2CS(=O)(=O)C[C@H]21 1108462385 RDFSNTWDWPJDQC-FRRDWIJNSA-N 316.423 -0.357 30 20 DBED C=C[C@H](CC)CC(=O)N[C@@H]1CC(=O)N(C2CN(CCO)C2)C1 1108567179 YBLUVWSNRNBJEY-CHWSQXEVSA-N 309.410 -0.018 30 20 DBED CS(=O)(=O)NCCC(=O)N1C[C@H]2C[C@@H](NCC#N)C[C@H]1C2 1108699656 ITDWAXIAGIWXCI-QJPTWQEYSA-N 314.411 -0.582 30 20 DBED C[C@H](CN(C)c1cncc(C#N)n1)NC(=O)c1cc(=O)n(C)o1 1108917940 RPCMJZVITYUSIA-SECBINFHSA-N 316.321 -0.105 30 20 DBED C[C@@H](CN(C)c1ncc(C#N)cc1F)NC(=O)[C@@H]1CNC(=O)N1 1109210960 MRMZIQYXXNVDLS-KWQFWETISA-N 320.328 -0.285 30 20 DBED CS(=O)(=O)CC(=O)NCC1(Nc2cnc(C#N)cn2)CC1 1110073535 BSTDZGWTKQTTBF-UHFFFAOYSA-N 309.351 -0.546 30 20 DBED Cc1nn[nH]c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1110883514 HTWQZIGWWMVMAC-MXWKQRLJSA-N 317.353 -0.912 30 20 DBED C#CCOCCC(=O)NC[C@]1(O)CCN(c2ccnc(C)n2)C1 1111098034 KQXJNDMSGMWPFY-MRXNPFEDSA-N 318.377 -0.118 30 20 DBED CCC(=O)NCC(=O)N(CCO)CCN=c1cc[nH]cc1C#N 1111429346 HPNORJHXFUHSCJ-UHFFFAOYSA-N 319.365 -0.866 30 20 DBED N#Cc1nccnc1NC1(CNC(=O)Cn2ncnn2)CCC1 1111850964 ATXVYMSVZRRLHD-UHFFFAOYSA-N 313.325 -0.514 30 20 DBED C[C@H](NS(C)(=O)=O)C(=O)N[C@]12CCC[C@H]1CN(CC#N)C2 1111883648 TZFBSTQGLPTVHG-GVXVVHGQSA-N 314.411 -0.582 30 20 DBED C=CCOCCCC(=O)N1CCN(Cc2nnnn2C)CC1 1112754111 MLZZLZUOGMXKKA-UHFFFAOYSA-N 308.386 -0.163 30 20 DBED Cc1cc(=N[C@@H](C)[C@H](C)NC(=O)c2nnn(C)n2)c(C#N)c[nH]1 1113258909 MJYANNSODRPTLL-UWVGGRQHSA-N 314.353 -0.174 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)CN(C)C(C)C)CC1 1113688008 XBQIQVBJECWGIR-AWEZNQCLSA-N 308.426 -0.391 30 20 DBED C[C@H](CNC(=O)[C@H]1CCCNC1=O)N(C)c1ccc(C#N)nn1 1113743878 BZDQWTHQLFFSIZ-PWSUYJOCSA-N 316.365 -0.185 30 20 DBED C[C@@H](CNC(=O)c1nnn(C)n1)N(C)c1ncccc1C#N 1113814538 GGVYZSNZATUILW-VIFPVBQESA-N 300.326 -0.269 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)Cn3cc(C)cn3)[C@H]2C1 1113954594 ZNAXQLPZPKPSRT-VIKVFOODSA-N 317.393 -0.460 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)c3ncccc3O)[C@H]2C1 1114164977 ZGDZVKRKCXUTRH-QWRGUYRKSA-N 316.361 -0.251 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1[C@@H]2CN(CCCCCOC)C[C@@H]21 1114170856 YORYJMKQLQCYFF-HALDLXJZSA-N 321.421 -0.011 30 20 DBED C#CCOCCC(=O)NC1[C@H]2CN(Cc3nc(O)n[nH]3)C[C@H]12 1114265310 CDFZVJVGTHKREC-UWVGGRQHSA-N 305.338 -0.903 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3c[nH]nc3C)[C@H]2C1 1114647128 AMUUVANRHGWJSH-IMRBUKKESA-N 301.350 -0.872 30 20 DBED CC(C)(C(=O)NC1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]12)C(F)F 1114816684 GXJFEKVGIKSDNG-RKDXNWHRSA-N 314.336 -0.036 30 20 DBED Cn1cnn(CCC(=O)NCC2(NCC#N)CCCCC2)c1=O 1115646816 UODLWYNEWLBSBF-UHFFFAOYSA-N 320.397 -0.096 30 20 DBED C=C[C@H](COC)NC(=O)Nc1nc(CS(C)(=O)=O)no1 1116617761 VYFWTJGSZMGDLP-SSDOTTSWSA-N 304.328 -0.063 30 20 DBED CC(C)(C)C(=O)NCCNC(=O)C(=O)N1CCO[C@H](C#N)C1 1117155482 XSDDVLBCCFLNAK-SNVBAGLBSA-N 310.354 -0.984 30 20 DBED CN(C)c1ncc(CNC(=O)C(=O)N2CCC(C#N)CC2)n1C 1117339667 OHIISQGPWONBTQ-UHFFFAOYSA-N 318.381 -0.136 30 20 DBED C[C@H](C[C@H]1CCOC1)NC(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1118215440 NXSGXSJHIABBAI-JMSVASOKSA-N 309.366 -0.205 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N1CCC(NC(C)=O)CC1 1118477815 PFPFVMBOWHLIEK-UHFFFAOYSA-N 323.393 -0.388 30 20 DBED C=CCN(CC=C)C(=O)C(=O)N[C@H]1CS(=O)(=O)C[C@H]1C 1119583611 GCTQLJKWOFFXAU-MNOVXSKESA-N 300.380 -0.264 30 20 DBED CC(C)N1C[C@@H](NC(=O)C(=O)N2CCC[C@H](C#N)C2)CC1=O 1119687179 RGDMKNOIIKLCCD-NEPJUHHUSA-N 306.366 -0.126 30 20 DBED C[C@@H](CN(C)C(=O)c1c[nH]c(=O)cn1)N=c1cc[nH]c(C#N)n1 1120620131 ZXGJEABLKKHURM-VIFPVBQESA-N 313.321 -0.574 30 20 DBED CC(C)N(C)CC(=O)NC[C@@H](CO)Nc1nccnc1C#N 1121668292 GDIJETKLQCIZSP-NSHDSACASA-N 306.370 -0.423 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H](CO)Nc1nccc(OC)n1 1122034772 DNZOYVMWKYBEGJ-MNOVXSKESA-N 308.338 -0.588 30 20 DBED CCOCCCC(=O)N(C)C[C@H](O)CN=c1cc[nH]c(C#N)n1 1124102882 AKTCNDJUHPBZAX-GFCCVEGCSA-N 321.381 -0.182 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)c1ccns1 1124540212 WDGIERCUKUHDHN-SECBINFHSA-N 318.362 -0.228 30 20 DBED C#CCC1(C(=O)NCCNCC(=O)N2CCC2)CCOCC1 1129117273 XMWGLBNXYJJYHS-UHFFFAOYSA-N 307.394 -0.255 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1ccc2cc[nH]c2n1 1129973828 ORBQJOKNQDUTKP-UHFFFAOYSA-N 300.322 -0.478 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1ncc(Cl)s1 1131289179 DEHXQTTXKMBDRQ-UHFFFAOYSA-N 300.771 -0.135 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)[C@H]1CCc2nn[nH]c2C1 1147698169 FZLCGKSNMDATTD-QWRGUYRKSA-N 320.397 -0.694 30 20 DBED C=CCOCCN1CCC2(C1)CN(C(=O)[C@H]1C[C@H]1C(N)=O)C2 1148298873 WERDHMKTUMIRKL-OLZOCXBDSA-N 307.394 -0.155 30 20 DBED C#CCCN1CCCO[C@H](CNC(=O)C[C@H]2CC(=O)NC2=O)C1 1150830665 IAFNRSJCNJXJNB-QWHCGFSZSA-N 321.377 -0.730 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@H](C)N(CC)Cc1nnnn1C 1153012099 CMQDAHHVNAJRMN-RISCZKNCSA-N 310.402 -0.136 30 20 DBED C=CCOCCNCCNC(=O)C(C)(C)CS(C)(=O)=O 1153058970 ULQABIHGQSSFEG-UHFFFAOYSA-N 306.428 -0.034 30 20 DBED COCCOC[C@H](O)CNCCCNC(=O)c1c[nH]c(C#N)c1 1156848026 OTDXDSHPQZCHSF-CQSZACIVSA-N 324.381 -0.380 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)c1nccc(C)n1 1157302713 NFIITTYCHJMGGL-GFCCVEGCSA-N 303.366 -0.368 30 20 DBED C#CCNC(=O)CC(=O)N1CCCC[C@@H]1CN(C)C[C@H](C)O 1157841718 UKGOJQKBVXORBU-UONOGXRCSA-N 309.410 -0.180 30 20 DBED COCCC(=O)NCCC1=CCN(CC(=O)NCC#N)CC1 1159068499 GCFCTVDPVUJLGW-UHFFFAOYSA-N 308.382 -0.199 30 20 DBED CNS(=O)(=O)CC(=O)NCCC1=CCN(CC#N)CC1 1161894131 XUBIJCMRGYVSTC-UHFFFAOYSA-N 300.384 -0.802 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)COCCOCC)C[C@H]21 1177156419 IJOSYJUMDPYFTJ-CABCVRRESA-N 310.394 -0.026 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@H](C)c1cnn(C)c1 1177672889 SJMUTRRPCJDVMR-GFCCVEGCSA-N 305.382 -0.631 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](NCc2cnn(C)n2)[C@@H]1C 1178508604 LJBWWIHJEGEHFN-AAEUAGOBSA-N 318.381 -0.966 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)CC(=O)N(C)C)[C@H]1C 1179699412 VWZMQPGWVBSVII-AGIUHOORSA-N 322.409 -0.818 30 20 DBED CC#CCN[C@H]1CCN(C(=O)COCc2ncnn2C)[C@H]1C 1179825196 GPKHDPAPDAAOPE-STQMWFEESA-N 305.382 -0.066 30 20 DBED C=C(C)CCN[C@@H]1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)C1 1183038598 DHSGAORUZYNYDK-CYBMUJFWSA-N 320.393 -0.296 30 20 DBED CCN1CCOC[C@H]1C(=O)N1CC[C@@H](NCC#CCOC)C1 1183826770 PFNXDOHJPYWRIS-CABCVRRESA-N 309.410 -0.453 30 20 DBED C#CCNC[C@@H]1CCN(C(=O)CCn2ncn(C)c2=O)C[C@H]1C 1184873177 QXUFNLOMVOVYIG-KGLIPLIRSA-N 319.409 -0.321 30 20 DBED C#CCCN1C[C@@H]2CCN(C(=O)CCNC(=O)COC)[C@@H]2C1 1188118945 SVWSXCOJVPQORK-UONOGXRCSA-N 307.394 -0.305 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@@H]1CCN(C(=O)Cn2cccn2)C1 1188864090 XZQCBMFYOPOIAQ-UONOGXRCSA-N 317.393 -0.446 30 20 DBED COCC#CCN(C)[C@@H]1CCN(C(=O)CO[C@@H]2CCOC2)C1 1190122027 VEWCJVKFOMXHAC-HUUCEWRRSA-N 310.394 -0.026 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2ccoc2C)C1 1190923464 YOMFXJKSBKYVMO-CHWSQXEVSA-N 307.350 -0.335 30 20 DBED CC#CCN(C)[C@H]1CCN(C(=O)[C@@H](CCC)S(N)(=O)=O)C1 1191553026 YJEWYQKFUHEUAI-QWHCGFSZSA-N 315.439 0.000 30 20 DBED CC(C)CNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C#CC2CC2)C1 1192826918 MJDUSNQSMDKKJI-ZIAGYGMSSA-N 307.394 -0.667 30 20 DBED C[C@H](C(=O)NC(C)(C)C)N1C[C@@H](O)[C@H](NC(=O)C#CC2CC2)C1 1192862261 OFZWIAQRVRIYBG-MRVWCRGKSA-N 321.421 -0.136 30 20 DBED C[C@@H](C#N)C(=O)N1CCCN(CCNS(C)(=O)=O)CC1 1195321159 DUMGVRLXMLYIJR-NSHDSACASA-N 302.400 -0.770 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)CCCF)C1 1195357341 FLNHCQNLAZPAJT-IJLUTSLNSA-N 301.362 -0.412 30 20 DBED COCCCn1cc(C(=O)N[C@@H]2CN(CC#N)C[C@H]2O)cn1 1197644768 RKQTZHVPUGFSES-CHWSQXEVSA-N 307.354 -0.782 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCCN(C(=O)[C@@H]2CCC(=O)N2)CC1 1197871646 VKTHLMYHDYRAFB-OLZOCXBDSA-N 322.409 -0.510 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)CCCC(=O)NC(C)C)C1 1197926852 ZQDBDJYMSCGZFW-ZIAGYGMSSA-N 309.410 -0.134 30 20 DBED CCNC(=O)NC(=O)[C@H](C)NC1CCN(C(=O)[C@H](C)C#N)CC1 1199817816 VNGDRYMSRALURU-MNOVXSKESA-N 323.397 -0.039 30 20 DBED C#CCOCCC(=O)N1CCC(NCc2cn(C)nn2)CC1 1200523176 KIZNYMYABQFZIS-UHFFFAOYSA-N 305.382 -0.064 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)CCn2ccnc2)CC1 1201892666 GUEWJBQOFLZYPJ-UHFFFAOYSA-N 317.393 -0.397 30 20 DBED C#CCNC(=O)[C@H](C)NC1CCN(C(=O)Cc2cnoc2)CC1 1202149422 IIIFWBOINBYSKR-LBPRGKRZSA-N 318.377 -0.064 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)[C@H](CC)NC(C)=O)CC1 1202595481 CALYPTXTTKESCL-AWEZNQCLSA-N 324.425 -0.216 30 20 DBED CC#CCNC1CCN(C(=O)[C@H](CCC(N)=O)NC(C)=O)CC1 1202960929 CPMUPINLHMYFDV-AWEZNQCLSA-N 322.409 -0.640 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)c2ccncn2)CC1 1206635768 QIMSVLTYNTVCTL-UHFFFAOYSA-N 315.377 -0.332 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCCN(C(=O)c2cnn(C)c2)C1 1207251481 JQIDDDGEUTVCSW-OCCSQVGLSA-N 317.393 -0.248 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)c2cnnn2C)C1 1207958102 LVBZKKUBLRXCAU-VXGBXAGGSA-N 320.397 -0.300 30 20 DBED CC(C)[C@@H](C(=O)N1CCC[C@H](NCC(=O)NCC#N)C1)N(C)C 1208372713 AEPNTEWQKGSLPJ-ZFWWWQNUSA-N 323.441 -0.207 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)c2ccnnc2)[C@H](C)C1 1208878381 VAVGQMMUFZSPGG-YRGRVCCFSA-N 315.377 -0.335 30 20 DBED CC(C)(NS(C)(=O)=O)C(=O)N1CCC[C@@H](NCC#N)C1 1210017559 BNOQXCUYIQVCEZ-SNVBAGLBSA-N 302.400 -0.582 30 20 DBED C=CCCOCC(=O)N1CCC[C@H](NCC(=O)NC(N)=O)C1 1211355543 SHXCTQJBGNPHTK-NSHDSACASA-N 312.370 -0.645 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2occc2C)[C@H](OC)C1 1211845215 SQNGUTNEJNQCNF-CHWSQXEVSA-N 319.361 -0.234 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)C[C@@H]2CCN(C)C2=O)C[C@H]1C 1214921565 MLARCVVMTBIIBP-QLFBSQMISA-N 321.421 -0.059 30 20 DBED N#CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)/C=C\C1CC1 1217601524 UVDSPHMXQXMGOH-KBIGUFJUSA-N 318.377 -0.496 30 20 DBED C=CCN1CC[C@@H](N2C[C@H](O)[C@H](NC(=O)C#CC3CC3)C2)C1=O 1219591660 OZVLRUAUKLCJDF-KFWWJZLASA-N 317.389 -0.652 30 20 DBED COCCOCCN1C[C@H](O)[C@H](NC(=O)C#CC(C)(C)C)C1 1219597984 BWTQYOGTUUELQN-KGLIPLIRSA-N 312.410 -0.140 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3ccn(C)c3)[C@@H]2C1 1221477517 BBPMELIHNWENBE-UKRRQHHQSA-N 314.389 -0.079 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cnns1 1225057476 FIPSOHWWOLIYQY-NXEZZACHSA-N 322.394 -0.192 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCC(NC(=O)[C@@H](C)NC(C)=O)CC1 1225963928 KCZXPHWWFFZXSK-VXGBXAGGSA-N 324.425 -0.218 30 20 DBED COCC#CCN[C@@H]1CCCC[C@H]1NC(=O)Cn1nccn1 1226474593 PZFQUMXPQRWIFR-ZIAGYGMSSA-N 305.382 -0.055 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)[C@@H]2CCCNC2=O)CC1 1227907771 FZIHICWDRBIJQO-CYBMUJFWSA-N 322.409 -0.605 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)C[C@@H](C)COC)CC1 1229849881 MWPHJZMAKIRSHI-CYBMUJFWSA-N 309.410 -0.011 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)[C@H]2CCN(C)C2)CC1 1230262791 SGWIOBWWYUKSSI-ZDUSSCGKSA-N 306.410 -0.732 30 20 DBED C=C[C@](C)(O)CC(=O)N(C)C[C@@H]1CCN1CC(=O)NC(N)=O 1233977217 MKHZCZQNCJYOLY-HZMBPMFUSA-N 312.370 -0.959 30 20 DBED COC(=O)CN(CC#N)C(=O)C[C@@H]1CCCS(=O)(=O)C1 1261241074 WSKFMLHMBCOGIL-JTQLQIEISA-N 302.352 -0.274 30 20 DBED N#C[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C1 1262232629 ISMCOCSZQQYPBE-MJBXVCDLSA-N 320.393 -0.272 30 20 DBED C#CCNC(=O)COC(=O)CCN/C(O)=C1\N=CC=CC1=O 1318678227 JTZMYQCARXOKQD-BUHFOSPRSA-N 305.290 -0.805 30 20 DBED CC(C)(O)CN1CCN(C(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)CC1 1326718330 HYRKOEOMHJXXRT-QWHCGFSZSA-N 322.409 -0.290 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N[C@@H](C)CO[C@@H]1CCOC1 1327108406 RZHGRNZUJVVKMB-QJPTWQEYSA-N 300.355 -0.386 30 20 DBED CC(C)N[C@@H]1CCCN(C(=O)C(=O)N2CCO[C@H](C#N)C2)C1 1327133130 DEXKREBWQIJXGU-CHWSQXEVSA-N 308.382 -0.274 30 20 DBED CN(C)CCCN(C)C(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1329271348 AHIRHJHCECLCGI-AWEZNQCLSA-N 321.425 -0.405 30 20 DBED C=CCN(C(=O)[C@@H](N)CCN(C)C)[C@@H]1CCS(=O)(=O)C1 1329761398 YYCRXEUFNHNBBQ-NEPJUHHUSA-N 303.428 -0.533 30 20 DBED C[C@@H](NC(=O)C(=O)N1CCN(CCC#N)CC1)[C@@H]1CCCOC1 1330298289 NPDYRVZEEBOOPH-ZIAGYGMSSA-N 322.409 -0.024 30 20 DBED CC(=O)NC1CCN(C(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)CC1 1332058414 QVUDXHWPXCTTIN-WCQYABFASA-N 306.366 -0.078 30 20 DBED C#CCNC(=O)C1CCN(C[C@@H](O)C[C@]2(O)CCOC2)CC1 1333263435 FTTMUDDOPCUHCT-GOEBONIOSA-N 310.394 -0.650 30 20 DBED C=CCN(C(=O)C(=O)N[C@H]1CCS(=O)(=O)C1)[C@@H](C)COC 1336167168 HIGGPHKXQAYCHU-QWRGUYRKSA-N 318.395 -0.661 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N1CC[C@@H](C(=O)OCC)C1 1336440554 ODACRQZQJRAILQ-CYBMUJFWSA-N 324.377 -0.104 30 20 DBED C#CCCn1nnnc1N1CCC(C(=O)N2CCOCC2)CC1 1337411514 GDGBQHWEUZJBSM-UHFFFAOYSA-N 318.381 -0.228 30 20 DBED C=CCn1cc(Cn2nnnc2N2CC[C@@](O)(CC)C2)nn1 1337678348 CRXUGJONNOUFAG-ZDUSSCGKSA-N 304.358 -0.150 30 20 DBED C=C[C@H](COC)NS(=O)(=O)CCCS(=O)(=O)N(C)C 1339287309 ILZKHGFRJSEVCU-SNVBAGLBSA-N 314.429 -0.612 30 20 DBED C#CCC[C@@H](O)CNC(=O)NC1CCN(S(C)(=O)=O)CC1 1344520103 VCTIJWQJWINQKE-GFCCVEGCSA-N 317.411 -0.516 30 20 DBED CN(C)C(=O)CN1CCN(CC(=O)NC2(C#N)CCC2)CC1 1346219956 XBNNSWGYZRZUGX-UHFFFAOYSA-N 307.398 -0.745 30 20 DBED C=CCSCCNC(=O)C(=O)N[C@@H]1CCS(=O)(=O)[C@@H]1C 1352449833 HHIQCAZKHAUPAF-NXEZZACHSA-N 320.436 -0.286 30 20 DBED C[C@H](C(=O)N1CCS(=O)(=O)[C@H]2CCC[C@@H]21)n1cnc(C#N)n1 1363218831 DGABTYCVAGZJMO-VWYCJHECSA-N 323.378 -0.111 30 20 DBED CC(=O)NCC(=O)N[C@H]1C[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 1372525602 KJGHTFRCFBYRCG-XYPYZODXSA-N 303.322 -0.601 30 20 DBED CC(C)N(C(=O)CNC[C@@H](O)CNC(=O)[C@H](C)C#N)C(C)C 1379189819 OPFGUDQTVJEFOB-CHWSQXEVSA-N 312.414 -0.142 30 20 DBED Cc1nc(CC(=O)N[C@H](C)C2CN(C(=O)[C@@H](C)C#N)C2)n[nH]1 1383274691 MAIHWUYXDYMQKR-DTWKUNHWSA-N 304.354 -0.222 30 20 DBED C[C@@H](CNC(=O)[C@@H](C)C#N)NC(=O)CNC(=O)c1ccncc1 1387081416 AKNHJEXHCLVZCO-QWRGUYRKSA-N 317.349 -0.408 30 20 DBED CCCNC(=O)NC(=O)CN[C@H]1C[C@H](CNC(=O)[C@H](C)C#N)C1 1397108465 JIUSLJFYQIZXAP-IJLUTSLNSA-N 323.397 -0.134 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1cnn(C2CCC2)c1 1399839951 YEVAXHPBWKPAIA-GWCFXTLKSA-N 319.365 -0.025 30 20 DBED C[C@H](CCNC(=O)CCCS(C)(=O)=O)NC(=O)[C@H](C)C#N 1408480205 BJECKWBLZVNVDR-GHMZBOCLSA-N 317.411 -0.018 30 20 DBED C=C(Cl)CN(C)C[C@@H](C)NC(=O)Cn1cnc(C(N)=O)n1 1420569453 NBQRECLPZSINJY-SECBINFHSA-N 314.777 -0.434 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)c2ccccn2)C1 1432781103 SNIRUWNGQGWOEJ-ABAIWWIYSA-N 302.334 -0.066 30 20 DBED Cc1cc(NC(=O)CN2CC(O)(CNC(=O)[C@@H](C)C#N)C2)no1 1440039777 UPSPPUTYPVGRIR-VIFPVBQESA-N 321.337 -0.756 30 20 DBED CC1(CCNC(=O)Cn2cc(C#N)c(O)nc2=O)OCCO1 1447509899 JRMWLLFIXBYHKP-UHFFFAOYSA-N 308.294 -0.910 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CCCN(C(=O)CNC(=O)C2CC2)C1 1453868441 JGYQQPOEAAFUKU-PWSUYJOCSA-N 306.366 -0.221 30 20 DBED COC(=O)C[C@@H](O)Cn1c(=O)c(C#N)c(C)n(C2CC2)c1=O 1459218065 LQLMBGFHGRGRLA-SNVBAGLBSA-N 307.306 -0.551 30 20 DBED C[C@@H](CN(C)C(=O)CCn1ncn(C)c1=O)NC(=O)[C@H](C)C#N 1487840665 SHMFHFSPNOHQEN-MNOVXSKESA-N 322.369 -0.905 30 20 DBED Cn1nnc2c1CC[C@@H](Nc1cnc(C#N)c(-c3nn[nH]n3)n1)C2 1570932389 SXEJUWPPOJFHLT-SSDOTTSWSA-N 323.324 -0.374 30 20 DBED CC#CCN1C[C@H]2[C@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)[C@H]2C1 1588747571 MNRDCSWHVRIKRK-PJXYFTJBSA-N 311.349 -0.122 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CC[C@H](C(=O)O)[C@@H]2C)nn1 1588909482 WAOGRLFUAAOXAW-ONGXEEELSA-N 321.337 -0.598 30 20 DBED N#Cc1ncc(N[C@@H](CO)C2CCOCC2)nc1-c1nn[nH]n1 1592710613 RBBSOYCKMFLXGH-JTQLQIEISA-N 316.325 -0.272 30 20 DBED Cc1cnn(CCn2c(=O)c(C#N)cn(CC(=O)O)c2=O)c1 1594435936 OEPPLHOKGZILEA-UHFFFAOYSA-N 303.278 -0.829 30 20 DBED Cn1ncc(C(=O)O)c1CN1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1594581057 LSFJRUJRPWZIKR-TVQRCGJNSA-N 324.362 -0.512 30 20 DBED CN(CCOCCNC(=O)[C@H]1C[C@H]1C(=O)O)C(=O)C#CC1CC1 1598498254 UUDSQMJESLUECZ-QWHCGFSZSA-N 322.361 -0.288 30 20 DBED CO[C@]1(C(=O)O)CCN(C(=O)C(=O)Nc2ccc(C#N)cn2)C1 1599066686 GAJQXUWJJNPDOZ-CQSZACIVSA-N 318.289 -0.406 30 20 DBED N#CCNC(=O)CNC[C@@H](O)COc1ccc(C(=O)O)cc1 1601074950 XUNFLBNFZJVVBY-LLVKDONJSA-N 307.306 -0.646 30 20 DBED C=C(C)COCCNc1nc(O)n(C)c(=O)c1-c1nn[nH]n1 1602763370 KOGRWGUDCGLXNI-UHFFFAOYSA-N 307.314 -0.329 30 20 DBED C[C@](C#N)(NC(=O)Cn1cc(-c2nn[nH]n2)ccc1=O)C1CC1 1602982489 WQWLTLZDDMCZGN-CQSZACIVSA-N 313.321 -0.163 30 20 DBED N#CCNC(=O)CN1CCC(N2C[C@@H](C(=O)O)CC2=O)CC1 1605585461 BYSFBCFDDHPLBN-JTQLQIEISA-N 308.338 -0.976 30 20 DBED CNC(=O)COC(=O)[C@H](C#N)Cc1ccc(-c2nn[nH]n2)cc1 1609288435 PXMJLUFNYIKMKE-NSHDSACASA-N 314.305 -0.162 30 20 DBED C[C@@H]1CN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)C[C@H]1C(=O)O 1610390556 FVEAROORVACCMN-GPCCPHFNSA-N 309.322 -0.957 30 20 DBED CC[C@@](C)(C#N)C(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 1649801366 FTBUVCSSPOKCMC-MFKMUULPSA-N 315.395 -0.264 30 20 DBED C[C@@H](CCNC(=O)[C@]1(C)CCCOC1)NCC(=O)NCC#N 1713420892 VFYDFGSXAULEQY-SWLSCSKDSA-N 310.398 -0.073 30 20 DBED C#CCNC(=O)CNC1CCC(NC(=O)CN(C)C(C)=O)CC1 1752847374 NJXMQUITVPLDEZ-UHFFFAOYSA-N 322.409 -0.769 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC(NC(=O)CC[C@H]2CCOC2)C1 1753374796 PUHDQIHSCVNFDT-OLZOCXBDSA-N 307.394 -0.259 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC(CNC(=O)c2nn(C)cc2C)C1 1753401930 WJIYVODJZKSKIJ-GFCCVEGCSA-N 317.393 -0.472 30 20 DBED COCC#CCNCC[C@@H]1CCCN(C(=O)CCNC(N)=O)C1 1753560749 DRTMVBJDFRHADN-AWEZNQCLSA-N 324.425 -0.087 30 20 DBED C=CCN1CC[C@@H](NCC[C@@H](C)NC(=O)c2ncn(C)n2)C1=O 1753962638 VFRRWFGYARCXES-VXGBXAGGSA-N 320.397 -0.300 30 20 DBED COCC#CCNC[C@@H](NC(=O)[C@H](C)S(C)(=O)=O)C1CC1 1754443917 AYORGJKUPPDKMC-WCQYABFASA-N 316.423 -0.446 30 20 DBED C=CCNC(=O)CN1CC[C@@H]1CNC(=O)CN1CC[C@H](C)C1 1754493731 FDCLFUNYHIKCJZ-UONOGXRCSA-N 308.426 -0.179 30 20 DBED C#CCN1CC[C@H](N2CCN(C(=O)C[C@@H](C)NC(N)=O)CC2)C1 1754662666 DIWHWLSYFPASHK-KGLIPLIRSA-N 321.425 -0.715 30 20 DBED N#CCN1CC[C@@](O)(CNC(=O)C[C@H]2CCCS2(=O)=O)C1 1754755634 BHPQMWNKMRFGOG-DGCLKSJQSA-N 315.395 -0.970 30 20 DBED C#CCNCC[C@H]1CCN(C(=O)[C@@H](CCC)S(N)(=O)=O)C1 1754922938 CEIULLGMQBBOJK-QWHCGFSZSA-N 315.439 -0.095 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)[C@H](C)CS(C)(=O)=O 1754973827 GUTVJXUGMXXWPA-VXGBXAGGSA-N 302.396 -0.883 30 20 DBED Cn1cc(CN2CCC(CO)(NC(=O)C#CC3CC3)CC2)nn1 1755177647 XLGLDEXGPVDBTA-UHFFFAOYSA-N 317.393 -0.328 30 20 DBED C=C(C)CNCC1CC(NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 1755218205 PMNJLCRKCINIHW-UHFFFAOYSA-N 320.393 -0.242 30 20 DBED C=CCCN1C[C@H]2CC[C@H]1CN2C(=O)CS(=O)(=O)NC 1755399036 SNNDOYUYIZIXBI-NWDGAFQWSA-N 301.412 -0.213 30 20 DBED C=CCN1CC[C@@H](N[C@@H](CO)CNC(=O)c2ccns2)C1=O 1755630731 QFDFQICLOLZZLD-GHMZBOCLSA-N 324.406 -0.390 30 20 DBED CC(C)(O)CC(=O)N[C@@]12CCC[C@H]1N(CC(=O)NCC#N)CC2 1755700177 ZPUDEWLPAKSCEZ-MLGOLLRUSA-N 322.409 -0.100 30 20 DBED C=CCOCC(=O)N[C@H](C)C1CN(C(=O)C2(C(N)=O)CC2)C1 1756130585 QVQWSGSRSNJJLA-SNVBAGLBSA-N 309.366 -0.582 30 20 DBED C[C@@H](CCCNC(=O)C1(NC(N)=O)CC1)NC(=O)[C@H](C)C#N 1756341723 NQSLEVMSTZZYHU-ZJUUUORDSA-N 309.370 -0.252 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@H](CO)NC(=O)c1c[nH]nc1CC 1756515653 NLDDRBVOLWGSRT-BONVTDFDSA-N 324.381 -0.494 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C[C@H](O)CNC(=O)Cc1cnoc1 1756663251 NVZAWIYYVGSSMT-WCQYABFASA-N 323.349 -0.809 30 20 DBED C#CCOCCC(=O)NC[C@H]1C[C@@H](NC(=O)[C@H](C)NC(N)=O)C1 1757318514 CRGDCIQDTVMXSL-SDDRHHMPSA-N 324.381 -0.906 30 20 DBED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CC[C@@H](CO)C2)CC1 108489536 YNCZWEZSEQKQRX-HUUCEWRRSA-N 308.426 -0.007 30 20 DBED COC(=O)CNC(=O)CN1CCN(c2ccccc2C#N)CC1 171345434 ANTQMZJEZKCYIQ-UHFFFAOYSA-N 316.361 -0.031 30 20 DBED CS(=O)(=O)C1(C/N=C(/O)N2C[C@H]3COC[C@@H](C2)O3)CCC1 328753085 SCJPLVPOGVEOQO-PHIMTYICSA-N 318.395 -0.033 30 20 DBED CN1CCOC[C@@H]1/C(O)=N/C[C@](C)(O)CN1CCOCC1 329035818 RCUOPLNXDBUWIV-OCCSQVGLSA-N 301.387 -0.643 30 20 DBED C[C@@H](CN1CCCC1=O)N/C(O)=N/CC1(O)CCN(C)CC1 329544532 YVUIXUFIVYXKIW-LBPRGKRZSA-N 312.414 -0.042 30 20 DBED Cn1c(=O)nc(O)c2cc(/C(O)=N/[C@@H]3[C@H]4COC[C@H]43)cnc21 330107757 MOSDDMKXDKUQDE-MYJAWHEDSA-N 302.290 -0.017 30 20 DBED Cc1onc(CC(=O)NCCN2CCCS2(=O)=O)c1C#N 332250414 BTFXRMXUZKUSHN-UHFFFAOYSA-N 312.351 -0.451 30 20 DBED COC[C@@H]1CN(S(=O)(=O)N2CCO[C@H](C#N)C2)C[C@@H](C)O1 337160957 UDCTXCUOEDYJBA-UTUOFQBUSA-N 319.383 -0.809 30 20 DBED CC(=O)N1CCN(CCNS(=O)(=O)CCCCC#N)CC1 344987982 VWMMJDPHQJABOP-UHFFFAOYSA-N 316.427 -0.236 30 20 DBED COC(=O)CN(CC#N)C(=O)CN1C(=O)NC2(CCCC2)C1=O 348787390 XDMAVNVDXIMFMQ-UHFFFAOYSA-N 322.321 -0.624 30 20 DBED CCC1(C)CN(S(=O)(=O)CCCS(=O)(=O)NCC#N)C1 349473918 CBLHBFAOZMBJOU-UHFFFAOYSA-N 323.440 -0.119 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCN[C@@H]2CC)CC1 353458946 LAGHVSNVBPOGNV-ZIAGYGMSSA-N 308.426 -0.179 30 20 DBED C=CCOCC(=O)N1CCN(CC(=O)Nc2cc(C)on2)CC1 354297331 RWJHCVIKONMUPA-UHFFFAOYSA-N 322.365 0.268 30 20 DBED C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N(C)CC#N 356792279 HRHHKYWNDJDGAD-VIFPVBQESA-N 324.362 -0.566 30 20 DBED N#C[C@H]1COCCN1C(=O)CCCS(=O)(=O)N1CCCC1 408244972 FDARNDPKVNFTOT-LBPRGKRZSA-N 315.395 -0.057 30 20 DBED C=CCn1cc(CNC(=O)NCCCN2C(=O)CCC2=O)nn1 425488055 WMEIPCDCQJAWNV-UHFFFAOYSA-N 320.353 -0.198 30 20 DBED N#Cc1ncn(CC(=O)N2C[C@@H](C(N)=O)Cc3ccccc32)n1 426452527 WQKIMQZIFYAYQM-NSHDSACASA-N 310.317 -0.159 30 20 DBED CNC(=O)[C@H](CO)NS(=O)(=O)Cc1cc(C#N)ccc1F 440086334 GQIWOECMLQCSTF-NSHDSACASA-N 315.326 -0.776 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@H](OC)C(=O)OC 490533371 DQTIYNADLJSPHA-UWVGGRQHSA-N 307.372 -0.510 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CC[C@H](CC)O2)CC1 491126271 MNHSAMWZAIDJSV-KBPBESRZSA-N 307.394 -0.162 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2cncnc2C)CC1 491166172 PPBWEJGOSGAYFV-UHFFFAOYSA-N 301.350 -0.708 30 20 DBED C#CCN(C)CCCNC(=O)C(=O)Nc1cccc(C(N)=O)n1 491668817 KGBZSFJPHLLCIY-UHFFFAOYSA-N 317.349 -0.810 30 20 DBED CC[C@@](C)(C#N)NC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 520507560 GVZGZTUAEXSUME-BBRMVZONSA-N 322.409 -0.024 30 20 DBED C=CCCCCCNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 583154528 DHJWVUFIPJATHP-CHWSQXEVSA-N 322.409 -0.381 30 20 DBED CCS(=O)(=O)N[C@H](C)C(=O)Nc1cc(C)n(CCC#N)n1 597460250 NMUPZISRMKXBMK-SNVBAGLBSA-N 313.383 0.372 30 20 DBED Cn1cc(C#N)c(NC(=O)NCCCNS(C)(=O)=O)n1 610563189 VRQHPVIYXDYHHX-UHFFFAOYSA-N 300.344 -0.647 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCN(CCO)C(C)(C)C1 619713934 AJEZJESBQAMYRF-LBPRGKRZSA-N 318.443 -0.289 30 20 DBED C=CCn1cc(C(=O)NCCN2CCN(C(C)=O)CC2)nn1 648734244 BMDUQNYGEHZCGM-UHFFFAOYSA-N 306.370 -0.642 30 20 DBED C#Cc1ccc(C(=O)NCCS(=O)(=O)N2CCOCC2)cn1 728819730 GWDNNHIMXDXXKV-UHFFFAOYSA-N 323.374 -0.545 30 20 DBED CNC(=O)CNC(=S)NN=Cc1c(C)nn(C)c1Cl 731928416 ATSUINAMLQNNKF-UHFFFAOYSA-N 302.791 -0.074 30 20 DBED Cn1cc([C@@H](O)CNS(=O)(=O)c2ccc(C#N)nc2)cn1 751455279 TUZQJGIKFRGEQK-LBPRGKRZSA-N 307.335 -0.301 30 20 DBED COC[C@H](C#N)OC(=O)c1cc(S(=O)(=O)N(C)C)cn1C 751605083 RHKGGADKYZQIMO-VIFPVBQESA-N 315.351 -0.029 30 20 DBED C#C[C@H](NC(=O)NCCS(=O)(=O)NCC)[C@@H]1CCCO1 773288288 XSLHBSSUJRKYDL-QWRGUYRKSA-N 303.384 -0.594 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCC(=O)N2C)CC1 785093399 AHUMILFHQOJXBY-LBPRGKRZSA-N 308.382 -0.946 30 20 DBED C=CCN1CC[C@H](OC(=O)[C@@H]2CCCN2S(C)(=O)=O)C1=O 798580289 MQYBNMFLGGGCNU-QWRGUYRKSA-N 316.379 -0.260 30 20 DBED C[C@H](O)[C@H]1C[C@H](C)CCN1S(=O)(=O)N1CCO[C@H](C#N)C1 800123842 PZIYNQDIYGQHBW-YVECIDJPSA-N 317.411 -0.063 30 20 DBED C[C@@](C#N)(CC(=O)O)C(=O)NC1CCN(S(C)(=O)=O)CC1 819824513 YQQDWOXBVWWJMH-LBPRGKRZSA-N 317.367 -0.469 30 20 DBED CS(=O)(=O)CCNN=Cc1ccc(-c2nn[nH]n2)cc1F 821927224 UOJDJHIIHCAGIB-UHFFFAOYSA-N 312.330 -0.026 30 20 DBED C#CCSCCNC(=O)N[C@@H](CC)CNS(C)(=O)=O 838485645 ITFWKZKHSCEZKG-JTQLQIEISA-N 307.441 -0.020 30 20 DBED COC(=O)[C@@H]1CSCCN1S(=O)(=O)N(C)C[C@H](C)C#N 885826431 ITHRCLYFKCWTLO-ZJUUUORDSA-N 321.424 -0.087 30 20 DBED C#CC1(O)CN(C(=O)CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)C1 890519595 PSOWZJGRNKLKOK-BZNIZROVSA-N 319.361 -0.306 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)NCCC(=C)C)CC1 895146722 IUMAOQOUNNCOGF-UHFFFAOYSA-N 314.411 -0.253 30 20 DBED C#CCNC(=O)CNc1ccc2c(=O)n(C)c(=O)n(C)c2c1 902237765 GYQRLLMMCLPGAV-UHFFFAOYSA-N 300.318 -0.602 30 20 DBED CN1CC(=O)N(CC(=O)NCCNc2ncccc2C#N)C1=O 920463789 GGBCAJGVMJSLHZ-UHFFFAOYSA-N 316.321 -0.625 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccn(C)c(=O)c1 937514995 AUMJCNHMEKQLPN-DRZSPHRISA-N 314.345 -0.030 30 20 DBED C#CCCN1C[C@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)CC[C@H]2C1 946743614 WQRYOUGICXMCJM-MJBXVCDLSA-N 304.394 -0.139 30 20 DBED CN1C[C@H](C(=O)NC[C@@H]2CCN2C(=O)C#CC2CC2)CCC1=O 950444948 BCYJDALPYGTPRY-KGLIPLIRSA-N 317.389 -0.015 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H](NC(=O)CN2CCOCC2)C1 951867650 JJOQSQSSRBQLFA-QWHCGFSZSA-N 308.382 -0.415 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H](NC(=O)C2CC(=O)NC(=O)C2)C1 951868953 ZCVUMVQPZYWVCC-MWLCHTKSSA-N 320.349 -0.694 30 20 DBED C=CC(C)(C)C(=O)N1CC(N(C)C(=O)C[C@@H]2NC(=O)NC2=O)C1 954628035 KGILEONAMJLNMX-JTQLQIEISA-N 322.365 -0.534 30 20 DBED N#CCN1C[C@H](CNC(=O)c2cc3n(n2)CCCC3)[C@@H](O)C1 958161767 MGFGTXUEMQBSBQ-FZMZJTMJSA-N 303.366 -0.235 30 20 DBED CC#CCN1C[C@H](O)[C@H](CNC(=O)c2cnn(CCF)c2)C1 958199467 IVXLCMCMENBBQT-OCCSQVGLSA-N 308.357 -0.102 30 20 DBED CC#CCN1C[C@@H](O)[C@@H](CNC(=O)c2ccc(C(N)=O)o2)C1 958240037 XNPSNDXBNNMZQS-WDEREUQCSA-N 305.334 -0.576 30 20 DBED C#CCCN1C[C@@H](O)[C@H](CNC(=O)c2nc3ncccn3n2)C1 958507306 OEBSJLXWEHJBRX-VXGBXAGGSA-N 314.349 -0.830 30 20 DBED Cc1nn[nH]c1C(=O)N(C)[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 958909291 OQWVGTNLKXSVBN-RYUDHWBXSA-N 317.349 -0.830 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)CC(C)(C)O 960307441 SFLVXAGAUHHGTG-GRYCIOLGSA-N 309.366 -0.255 30 20 DBED N#CCN1C[C@@H]2C(NC(=O)C3(n4cnnn4)CCCCC3)[C@H]2C1 961470899 UTQUWEIRSNQDPV-RYUDHWBXSA-N 315.381 -0.098 30 20 DBED CC#CCN1C[C@H]2C(NC(=O)Cn3c(C)cc(C)nc3=O)[C@@H]2C1 962159055 RYMZUSFHDBLHDY-ZIAGYGMSSA-N 314.389 -0.070 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CN(C(=O)c3ccncn3)CCO2)C1 965455009 PSKPESLWNIMWCR-LLVKDONJSA-N 315.333 -0.310 30 20 DBED CC[C@@H](OC)C(=O)N1CC(N2CCN(C(=O)[C@@H](C)C#N)CC2)C1 967243560 FZXLICGLNKAPPJ-GXTWGEPZSA-N 322.409 -0.074 30 20 DBED C#CCN1CC([C@@H](C)NC(=O)C2CC3(C2)NC(=O)NC3=O)C1 970566959 MGWRDBJVLOOFNF-SBTGLGLWSA-N 304.350 -0.956 30 20 DBED Cc1nn[nH]c1C(=O)N1C[C@H]2CCN(C(=O)[C@@H](C)C#N)C[C@H]21 974708276 VARKZNYOJPXGCM-JMJZKYOTSA-N 302.338 -0.054 30 20 DBED N#CCN1CCCN(C(=O)c2ccc(-n3cnnn3)cn2)CC1 981682300 KSLMNUQSTYUIIT-UHFFFAOYSA-N 312.337 -0.271 30 20 DBED C=CCN1CCCC2(C1)CN(C(=O)Cn1c(O)nnc1O)C2 982131038 OQJHOWHGAYRMOK-UHFFFAOYSA-N 307.354 -0.200 30 20 DBED C=CCn1cc(C(=O)N2CC[C@@H](NC(=O)C(C)C)[C@H](O)C2)nn1 991290777 GGRPAJXAYPNKFM-DGCLKSJQSA-N 321.381 -0.188 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(NC(=O)c2cnn(C)n2)C1 995703224 XXTMQSIWFVBLPJ-AAEUAGOBSA-N 319.365 -0.263 30 20 DBED N#CCN[C@@H]1CCCN(C(=O)CN2CCCCS2(=O)=O)C1 999724863 KOSGJHUZNNHMGT-GFCCVEGCSA-N 314.411 -0.484 30 20 DBED CC(=O)N1CC(C(=O)NCC2CN(C(=O)C#CC3CC3)C2)C1 1001601446 OGYCFOHMNBVZIA-UHFFFAOYSA-N 303.362 -0.547 30 20 DBED C#CCCN1CCC(N(C)C(=O)CN2CC(=O)NC2=O)CC1 1006147982 QRYLJFPSQJLROH-UHFFFAOYSA-N 306.366 -0.516 30 20 DBED C=CCn1cc(C(=O)N2C[C@H]3CC[C@H]2CN3C(=O)COC)nn1 1007029778 PYEKVBZGQFDECH-NEPJUHHUSA-N 319.365 -0.074 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CC[C@H]1CN2C(=O)CN1CCOCC1 1007260128 DKPYTDGQVDEROJ-MCIONIFRSA-N 320.393 -0.320 30 20 DBED CC#CCN1CCC[C@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)C1 1008730079 YOWXPUQOKWSDBG-NSHDSACASA-N 320.349 -0.989 30 20 DBED C#CCN1CCC[C@@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)C1 1009416991 GCWTZISPIKNPLU-LLVKDONJSA-N 306.366 -0.469 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C(=O)Cn2ccccc2=O)CC1 1011120917 UNJHDQJVNHVQRT-LBPRGKRZSA-N 302.334 -0.321 30 20 DBED C[C@H]1C[C@@H](NC(=O)Cn2cncn2)CN1C(=O)C#CC1CC1 1012589845 ZWELUZZRLLEUOU-WCQYABFASA-N 301.350 -0.203 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2C(NC(=O)c3ccc(C(N)=O)[nH]3)[C@@H]2C1 1013808955 YIYSIPNXKDSZMJ-IWSPIJDZSA-N 315.333 -0.540 30 20 DBED C=C(Cl)CN1CC[C@@H](NC(=O)CN2CCCS2(=O)=O)C1 1014642462 CIRNZMSHHSLATG-LLVKDONJSA-N 321.830 -0.035 30 20 DBED C=CCN1CC[C@@H](N[C@H]2C[C@H](NC(=O)[C@H]3CCN(C)C3)C2)C1=O 1021049045 GBVFEGKPUNYNPV-ZQDZILKHSA-N 320.437 -0.038 30 20 DBED N#Cc1ccc(CN[C@H]2C[C@@H](NC(=O)Cn3cnnn3)C2)cc1 1021816133 GHUXWJZYZPGHRU-OKILXGFUSA-N 311.349 -0.018 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@H]3CN(C(=O)C(N)=O)C[C@H]32)nc1 1022293410 SHAOGWYZLCQCSN-WCQYABFASA-N 312.329 -0.779 30 20 DBED C=CCN[C@H]1C[C@@H](NC(=O)Cn2nc3ccccn3c2=O)C1 1022518581 PGBCSQOLNWIQLT-TXEJJXNPSA-N 301.350 -0.081 30 20 DBED C=CCN1CC[C@@H](N[C@H]2C[C@@H](NC(=O)Cn3cncn3)C2)C1=O 1023061672 QUPSIXQINFOUJH-FRRDWIJNSA-N 318.381 -0.698 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)[C@@H]1CCCNC1=O 1026616505 XHCYDHFKPLDIMF-MRVWCRGKSA-N 317.389 -0.111 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2CCN([C@@H](C)C(N)=O)C2)nc1 1028936402 WVPTYTXTTYPEPU-WCQYABFASA-N 300.362 -0.012 30 20 DBED Cn1cnn(CCC(=O)N2C[C@@H]3CC[C@H](C2)N3CC#N)c1=O 1029406137 WONZGBFCERDUCY-TXEJJXNPSA-N 304.354 -0.829 30 20 DBED N#Cc1ccc(CN2CC(NC(=O)[C@@H]3CNC(=O)N3)C2)s1 1030878194 KNFLGZPTUZWBSM-NSHDSACASA-N 305.363 -0.398 30 20 DBED C#CCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@@]1(C)CCS(=O)(=O)N1 1032753605 ZNDLKAFNKMVJHO-SGMGOOAPSA-N 311.407 -0.623 30 20 DBED Cn1nnc2cc(C(=O)NC[C@@H]3CN(CC#N)CCO3)cnc21 1035445476 CNASKQZGOFCQFS-LLVKDONJSA-N 315.337 -0.683 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)[C@H]2CCc3nn[nH]c3C2)C1 1035571181 BAEJTOHCCKIBPX-RYUDHWBXSA-N 303.366 -0.640 30 20 DBED C#CCN[C@H]1CCN(C(=O)c2cn(CCOC)nn2)C[C@@H]1C 1036024659 XQQBCRXTPLMMCO-STQMWFEESA-N 305.382 -0.002 30 20 DBED C[C@H]1CN(C(=O)CCn2cnccc2=O)CC[C@@H]1NCC#N 1036232016 GPLBFTBICGBZCI-STQMWFEESA-N 303.366 -0.016 30 20 DBED CC#CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)CN1CC(=O)N(C)C1=O 1037675075 NYTZHJKWCBCUBI-SUNKGSAMSA-N 304.350 -0.907 30 20 DBED C=C(Cl)CN1CC[C@H]1CNC(=O)[C@@H]1CCN(C)S1(=O)=O 1038801912 QJOLTZOPCRHUDG-QWRGUYRKSA-N 321.830 -0.037 30 20 DBED C#CCCN1[C@H]2CCC[C@H]1CN(C(=O)Cn1c(O)nnc1O)C2 1039983022 AIPPYTWWQQBMBC-RYUDHWBXSA-N 319.365 -0.222 30 20 DBED CC#CCCCC(=O)N1CC[C@@](O)(CNC(=O)c2cnn[nH]2)C1 1040271326 GZZXZCAZBDQPEU-OAHLLOKOSA-N 319.365 -0.309 30 20 DBED C=CCCC(=O)N1CC[C@@](O)(CNC(=O)C[C@@H]2CCC(=O)N2)C1 1040285668 UOXLIRLZCHZMAP-BLLLJJGKSA-N 323.393 -0.299 30 20 DBED CC(=O)CCCC(=O)N1CC[C@@](O)(CNC(=O)[C@H](C)C#N)C1 1040762383 HZXPHJQMRAHIAH-IAQYHMDHSA-N 309.366 -0.015 30 20 DBED Cc1cnn(CC(=O)N2CC[C@](O)(CNC(=O)[C@H](C)C#N)C2)c1 1040764517 WVIBOPMZGAACTD-DOMZBBRYSA-N 319.365 -0.569 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)Cc2cnc[nH]2)C1 1041035735 LQTQLBFRWUGQLY-YGRLFVJLSA-N 305.338 -0.809 30 20 DBED N#CCN1CC[C@]2(CCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C2)C1 1041716742 CEAOUZUTAMYLAN-HZMBPMFUSA-N 305.338 -0.968 30 20 DBED C#CCNC(=O)CC(=O)N1CC(O)(CNC(=O)/C(C)=C\CC)C1 1041788679 APGKXZBSTGTVGF-SDQBBNPISA-N 321.377 -0.828 30 20 DBED O=C(C#CC1CC1)NCC1(O)CN(C(=O)c2cncs2)C1 1042958331 JZHDJIWXMJESGH-UHFFFAOYSA-N 305.359 -0.140 30 20 DBED Cc1n[nH]c(C)c1CC(=O)NCC1(O)CN(C(=O)[C@H](C)C#N)C1 1043008628 HUXQFPMUJXUKRS-SECBINFHSA-N 319.365 -0.582 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)c2cocn2)C1 1043032715 GTPPVLSIFGRNIG-UHFFFAOYSA-N 307.306 -0.982 30 20 DBED C=CCC(C)(C)C(=O)NCC1(O)CN(C(=O)c2cnnn2C)C1 1043060841 WGXBZLPBHJJKQW-UHFFFAOYSA-N 321.381 -0.280 30 20 DBED Cc1nsc(N2C[C@H]3[C@@H](C2)OCCN3C(=O)C(N)=O)c1C#N 1043780391 OKDZCOHDCSSYHU-VHSXEESVSA-N 321.362 -0.776 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)Cc2cncn2C)C1 1044007253 JICIOAZFBJDAHI-UHFFFAOYSA-N 306.366 -0.382 30 20 DBED C=CCN1CC(N(C)C(=O)c2cn(CC(=O)N(C)C)nn2)C1 1044336267 LHERYPCQFMAVEN-UHFFFAOYSA-N 306.370 -0.692 30 20 DBED C#CCN[C@@H]1CCN(C(=O)CN2CCC(=O)NC2=O)[C@H](C)C1 1044815077 IJBVPKWNDIIYPX-VXGBXAGGSA-N 306.366 -0.469 30 20 DBED COCC1(C(=O)N2CC(O)(CNC(=O)[C@H](C)C#N)C2)CCC1 1045558812 BRMZHXGDWKOECC-LLVKDONJSA-N 309.366 -0.348 30 20 DBED C#CCCN1CC[C@H](N2CCN(C(=O)Cn3nccn3)CC2)C1 1046034853 XAUIZFZNYXVSEF-HNNXBMFYSA-N 316.409 -0.480 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)Cn2cc(C3CC3)nn2)C1 1047406625 JOPSHUMBVNZTCS-GJZGRUSLSA-N 317.393 -0.318 30 20 DBED CN(C(=O)C#CC1CC1)[C@H]1CN(C(=O)c2ccncn2)C[C@@H]1O 1048824632 FKEISIHOVLLZJJ-KBPBESRZSA-N 314.345 -0.466 30 20 DBED C=C(C)CCC(=O)N(C)[C@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@@H]1O 1048941274 ODNFMVWBJUJTAM-RYUDHWBXSA-N 323.393 -0.362 30 20 DBED C=CCOCC(=O)N[C@H](C)[C@@H]1CCN(C(=O)Cn2cnnn2)C1 1049968472 MKCGRPPNZNKMSV-VXGBXAGGSA-N 322.369 -0.771 30 20 DBED C=CCN1CC2(CC[C@@H](CNC(=O)[C@H]3COCCN3C)O2)C1 1053592821 SAQZSMQUDQAJAN-UONOGXRCSA-N 309.410 -0.147 30 20 DBED C=C(C)CN1CC2(C[C@H](NC(=O)[C@H]3COCCN3C)CO2)C1 1053782116 FSEPRXCFSORBFC-UONOGXRCSA-N 309.410 -0.147 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)c3cccc(=O)n3C)CO2)C1 1053921442 GYCFUDQZZDBWQU-ZDUSSCGKSA-N 315.373 -0.018 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)[C@H]3CCN(C(C)=O)C3)CO2)C1 1053995528 ZAQZPGZTSWUYJF-LSDHHAIUSA-N 319.405 -0.162 30 20 DBED C#CCN1CC[C@]2(CCCN(C(=O)Cn3ncn(C)c3=O)C2)C1 1054156269 LWVZNAGBCMCGCE-MRXNPFEDSA-N 317.393 -0.471 30 20 DBED C[C@H](NC(N)=O)C(=O)N1C[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2C1 1055304181 PKOOJNORLCDGKL-WCFLWFBJSA-N 318.377 -0.627 30 20 DBED N#Cc1nccnc1N1CCN(C(=O)Cn2ccccc2=O)CC1 1055813665 HYIIUHAQYBPIQL-UHFFFAOYSA-N 324.344 -0.141 30 20 DBED C#CCNC(=O)CC(=O)N[C@]1(CO)CCCN(C(=O)C(C)C)C1 1055895856 ARCBKSLIAXVTHI-MRXNPFEDSA-N 323.393 -0.748 30 20 DBED C=CCCC1(C(=O)N2CCC[C@](CO)(NC(=O)C(N)=O)C2)CC1 1056088595 VCFXISBXRIEDLU-INIZCTEOSA-N 323.393 -0.312 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)CC(N)=O 1056378256 ADJHOGNDCAGRNA-HSMVNMDESA-N 323.393 -0.219 30 20 DBED CN(c1cnc(C#N)cn1)[C@H]1CCN(C(=O)C(C)(C)C(N)=O)C1 1056977558 MUARNTYHMVXDOY-NSHDSACASA-N 316.365 -0.103 30 20 DBED N#Cc1nccc(N2CCCN(C(=O)[C@@H]3COCCO3)CC2)n1 1057091445 DJMZXVOZIJRQQF-LBPRGKRZSA-N 317.349 -0.198 30 20 DBED C=CCOCCCC(=O)NCCN(CCO)C(=O)[C@@H](C)OC 1057112468 LVJKOCJGHHYTPB-CYBMUJFWSA-N 316.398 -0.059 30 20 DBED Cc1cc(CC(=O)N(CCO)CCNC(=O)C#CC(C)C)n[nH]1 1057323143 ZXCOCHXXTLFSPQ-UHFFFAOYSA-N 320.393 -0.143 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)[C@@H]1COCCO1 1057439716 YCECWCXVOAKPRQ-ZDUSSCGKSA-N 312.366 -0.858 30 20 DBED CC(C)C#CC(=O)NCC[C@@H]1CCN(C(=O)Cn2cnnn2)C1 1059128755 CZNYCPLOVQADMW-CYBMUJFWSA-N 318.381 -0.313 30 20 DBED C[C@H](C#N)C(=O)NCC[C@@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1 1060252347 DTNBCGHHIKERJK-GHMZBOCLSA-N 317.349 -0.102 30 20 DBED N#Cc1nc(=NC[C@H]2CCN(C(=O)Cn3cccn3)C2)cc[nH]1 1060806897 GZNDBZDWSNTPIK-GFCCVEGCSA-N 311.349 -0.073 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)CNC(=O)C2CC2)CCC1 1062622200 PJJLSPSQDCVBOO-JTQLQIEISA-N 306.366 -0.173 30 20 DBED C=CCCC(=O)N1CCO[C@H](CNC(=O)CNC(=O)CC)C1 1064956133 RTHYKRFUZIDLOV-GFCCVEGCSA-N 311.382 -0.178 30 20 DBED C#CCCCCC(=O)NC[C@@H]1CN(C(=O)CC(N)=O)CCO1 1064997168 PZDQHHMPZKKLTO-GFCCVEGCSA-N 309.366 -0.601 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(C(=O)[C@@]23COC[C@@H]2C3)CCO1 1065235328 VEZQZPFGBSCSMO-ZQIUZPCESA-N 318.373 -0.220 30 20 DBED CCOCC(=O)N1CCN([C@H]2CCN(C(=O)[C@@H](C)C#N)C2)CC1 1065710605 ASMDXWZWKZEUBQ-KBPBESRZSA-N 322.409 -0.072 30 20 DBED C[C@H](C#N)C(=O)N(C)CCCN(C)C(=O)C[C@@H]1NC(=O)NC1=O 1067709002 ZVYVSVCRCLABAS-ZJUUUORDSA-N 323.353 -0.949 30 20 DBED C=CCCC(=O)NC[C@@H]1CCC2(CN(C(=O)CC(N)=O)C2)O1 1068533049 KTNVQOCZWQOXCK-NSHDSACASA-N 309.366 -0.296 30 20 DBED C=C[C@@H](CC)CC(=O)N[C@@H]1COC2(C1)CN(C(=O)CC(N)=O)C2 1068975733 MUQSPFGYZXPFAE-RYUDHWBXSA-N 323.393 -0.050 30 20 DBED N#CCN1C[C@H]2C[C@H]3CN(C(=O)CN4CCCC4=O)C[C@@]3(C1)O2 1070756933 GLZYEQYMGKPCDS-WOSRLPQWSA-N 318.377 -0.566 30 20 DBED C=CCCOCC(=O)N1CCC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1 1070902689 PPKYOWDLQOPQTA-NEPJUHHUSA-N 324.381 -0.632 30 20 DBED C[C@@H](C#N)C(=O)NC1(C)CCN(C(=O)CN2CCOCC2)CC1 1072958264 XCXBIZIXHNBDRB-ZDUSSCGKSA-N 322.409 -0.024 30 20 DBED C=CCCOCC(=O)N1CCC(C)(NC(=O)CC(N)=O)CC1 1073107881 HASCAIBLXSCHRS-UHFFFAOYSA-N 311.382 -0.048 30 20 DBED C[C@H](C#N)C(=O)N1CCC(C)(NC(=O)C2(NC(N)=O)CC2)CC1 1073228669 GEAFSQZVPDKFCY-SNVBAGLBSA-N 321.381 -0.156 30 20 DBED CC(=O)N1CCC(C(=O)NC[C@H]2CN(CC#N)CCCO2)CC1 1073885976 CXUCRDXVLOBRHK-HNNXBMFYSA-N 322.409 -0.024 30 20 DBED N#CCN1CCO[C@H]2CCN(C(=O)CN3CCCC3=O)C[C@@H]21 1074160401 RQJXJSCDVFPQJB-STQMWFEESA-N 306.366 -0.566 30 20 DBED C#CCCN1C[C@@H]2CCN(C(=O)CCn3ncn(C)c3=O)[C@@H]2C1 1076085015 WUHGLHJQVCPXQQ-UONOGXRCSA-N 317.393 -0.472 30 20 DBED CC#CCN1C[C@@H]2CCN(C(=O)[C@@H]3CN(C(C)=O)CCO3)[C@@H]2C1 1076517657 QPBHIJLZIQVMDP-XHSDSOJGSA-N 319.405 -0.210 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN([C@@H](C)C(N)=O)C[C@H]2O)cc1 1077493734 INPSSMGEVMSABX-ZLKJLUDKSA-N 301.346 -0.683 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)c2ncn(C(C)(C)C)n2)C1 1077674447 XBANRYJVGLQUAV-VXGBXAGGSA-N 305.382 -0.169 30 20 DBED C[C@@H](CCNC(=O)[C@@H](C)C#N)NC(=O)c1cccc(C(N)=O)n1 1078135280 VMBKLPCOUQZIRJ-UWVGGRQHSA-N 317.349 -0.035 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)CN2CCCC2)C[C@@H]1O 1081444900 OKQLSSGXBOYDBZ-GJZGRUSLSA-N 321.421 -0.179 30 20 DBED CO[C@@H]1CN([C@H]2CCNC2=O)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 1081563170 BNNPWKBDXPQMRZ-FRRDWIJNSA-N 317.349 -0.796 30 20 DBED C=CCOCC(=O)N1C[C@H](CNC(=O)c2oncc2C)[C@@H](O)C1 1081728970 DKSXXADRZUJCPO-RYUDHWBXSA-N 323.349 -0.265 30 20 DBED C#CCCN1C[C@@H](NC(=O)c2ccoc2CC(N)=O)[C@H](OC)C1 1082070626 LOOQXBODWDSNFM-TZMCWYRMSA-N 319.361 -0.240 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@]2(C)CCN(C(C)=O)C2)C1 1083928905 GJRBMPAVAKPZII-IJEWVQPXSA-N 307.394 -0.571 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2cccc(NC(N)=O)c2)C1 1084043099 DPEWEUUFLLGVHO-OLZOCXBDSA-N 302.334 -0.415 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@H](C)c2c(C)nn(C)c2C)C1 1084121576 LIWMUQLXSPDUFG-HONMWMINSA-N 304.394 -0.065 30 20 DBED CC#CCN1CC[C@@H]2CN(C(=O)c3nccnc3C(N)=O)[C@@H]2C1 1084820084 FYCHRFULVCTXAX-VXGBXAGGSA-N 313.361 -0.255 30 20 DBED CC#CCN1CC[C@@H]2CN(C(=O)[C@@H]3COCCN3C(C)=O)[C@@H]2C1 1084841591 BYNNRCOMBLDTDB-OAGGEKHMSA-N 319.405 -0.210 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@@H]2COCCO2)C[C@H]1c1cnn(C)c1 1086968777 MJLFUYJADWEYJD-ZNMIVQPWSA-N 318.377 -0.647 30 20 DBED N#CCN1CC[C@@H](NC(=O)Cc2cn3c(n2)CCCC3)[C@H](O)C1 1090279756 OWTKHWJHFNXVPI-ZIAGYGMSSA-N 317.393 -0.163 30 20 DBED COC[C@@H](C)C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1O 1090387075 GWUCBSLKMFYDGF-YUSALJHKSA-N 305.338 -0.704 30 20 DBED CCO[C@@H](C)C(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1O 1090391294 HONZBUDZKSMOPI-MVWJERBFSA-N 305.338 -0.561 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2CCN(CCCO)C[C@H]2O)c1 1090565239 XSEAYECIJLQHBU-HUUCEWRRSA-N 303.362 -0.390 30 20 DBED COCCCCC(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1091086671 VKQBOSDFBUAWHW-OLZOCXBDSA-N 319.365 -0.169 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(c2cc(F)ncn2)C[C@@H]1O 1091116812 AISPPQJNLWLCOW-MXWKQRLJSA-N 310.329 -0.128 30 20 DBED CCc1nc(C#N)cc(N2C[C@@H](C)[C@H](CNC(=O)C(N)=O)C2)n1 1092441581 DSOCYXCLZJFENA-NXEZZACHSA-N 316.365 -0.416 30 20 DBED C[C@@H](C(=O)NCCN=c1cc[nH]cc1C#N)[C@@H]1CCC(=O)N1 1094133279 LTLNSTAMVZBJBF-PWSUYJOCSA-N 301.350 -0.182 30 20 DBED C#CCN1CC(n2cc(CNC(=O)[C@@H]3CCC(=O)N3C)nn2)C1 1094310781 SDCKHOFAVIYYCN-ZDUSSCGKSA-N 316.365 -0.995 30 20 DBED N#Cc1nc(=NCCCNC(=O)c2c[nH]c(C(N)=O)c2)cc[nH]1 1094438044 RXMVNIBXTCVSEM-UHFFFAOYSA-N 313.321 -0.571 30 20 DBED N#Cc1nc(=NCCCNC(=O)COC[C@H]2CCOC2)cc[nH]1 1094580156 NCCCZYMXHMFIIC-LBPRGKRZSA-N 319.365 -0.259 30 20 DBED N#Cc1cnc(N[C@H](CNC(=O)Cn2cncn2)C2CC2)cn1 1096677044 WNGPLEDGWHOQMP-GFCCVEGCSA-N 312.337 -0.053 30 20 DBED N#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1CCC(=O)NC1=O 1098165545 IFOZEHZZHRBSEZ-MXWKQRLJSA-N 305.338 -0.827 30 20 DBED C[C@H](CCNC(=O)[C@@H]1COC(=O)N1)Nc1cncc(C#N)n1 1099078584 ZTYOQWPVNZVQPY-SCZZXKLOSA-N 304.310 -0.237 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)C[C@H]1C(F)(F)F 1099300181 ROTHXCWQZNDTCI-IWSPIJDZSA-N 304.272 -0.720 30 20 DBED C[C@H](CCNC(=O)[C@H]1CNC(=O)N1)Nc1cnc(C#N)cn1 1099682564 LLSAVGFCDGGHID-PSASIEDQSA-N 303.326 -0.664 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2cncnc2C)[C@@H](O)C1 1099701829 KEDYZTCHIJWKCX-CABCVRRESA-N 318.377 -0.400 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)c2ocnc2C)[C@@H](O)C1 1099755872 SUPQVKQCMWPRFP-NEPJUHHUSA-N 322.365 -0.550 30 20 DBED C#CCCCC(=O)N[C@H]1CCN(Cc2ncnn2C)C[C@H]1O 1099806428 AOTQCOWTWQEXKK-QWHCGFSZSA-N 305.382 -0.330 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)CC(C)(C)O)[C@@H](O)C1 1099809508 ISTDBLBBWPDFJJ-RYUDHWBXSA-N 313.398 -0.999 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)CCCS(N)(=O)=O)[C@@H](O)C1 1099982132 YJTWHVREHHRNFM-NEPJUHHUSA-N 319.427 -0.817 30 20 DBED C#CCNC(=O)CC(=O)NCCN(C)c1ncccc1[N+](=O)[O-] 1100037627 JVSAHYBUKPKNMH-UHFFFAOYSA-N 319.321 -0.318 30 20 DBED C#CCN1CC[C@H](NC(=O)CCCn2nc(C)nc2C)[C@H](O)C1 1100071563 GBZRZXXWEGNRNN-LSDHHAIUSA-N 319.409 -0.140 30 20 DBED CN(CCNC(=O)c1cc(=O)n(C)o1)c1cnc(C#N)cn1 1100077316 ATOJZXDYVCJFIZ-UHFFFAOYSA-N 302.294 -0.494 30 20 DBED C[C@@]12CN(CC#N)C[C@@H]1CN(C(=O)CCNS(C)(=O)=O)C2 1101256400 VJGIYXVIMRLFKD-YPMHNXCESA-N 314.411 -0.770 30 20 DBED CN(CCNc1cncc(C#N)n1)C(=O)CCn1ccnn1 1101563324 YXNXFQPWYKFHGT-UHFFFAOYSA-N 300.326 -0.100 30 20 DBED C=CCCC(=O)N[C@H]1CC2(CN(CC(N)=O)C2)n2ccnc21 1101616068 XFBRCJNFOMMRRO-NSHDSACASA-N 303.366 -0.094 30 20 DBED CN1C[C@@H](C(=O)N(C)CCNc2ccc(C#N)nn2)NC1=O 1101902982 LICRXWKPIXKYQW-JTQLQIEISA-N 303.326 -0.758 30 20 DBED CCC(=O)N[C@H](C)C(=O)N(C)CCN=c1cc[nH]c(C#N)n1 1102014423 ALHWOKKGJHLVGF-SNVBAGLBSA-N 304.354 -0.445 30 20 DBED CNC(=O)NCC(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(C#N)n1 1102575220 NXNNIBHYJFLPIH-QWRGUYRKSA-N 315.337 -0.933 30 20 DBED C#CCNC(=O)CC(=O)N(C)[C@@H]1CCN(c2nccnc2F)C1 1102694114 VWBWMQKMAUEESZ-LLVKDONJSA-N 319.340 -0.208 30 20 DBED CN(C)C(=O)CC(=O)N(C)[C@@H]1CCN(c2nccnc2C#N)C1 1102764970 MAFMMECFSSVPMC-LLVKDONJSA-N 316.365 -0.136 30 20 DBED CC[C@H](CNC(=O)Cn1cnnn1)N=c1cc(C)[nH]cc1C#N 1102969179 XBZQZMLBPTYBKF-GFCCVEGCSA-N 314.353 -0.323 30 20 DBED CC[C@H](CNC(=O)[C@H](C)NC(C)=O)N=c1cc[nH]c(C#N)n1 1102977888 LLKQTROBEKIBMM-GXSJLCMTSA-N 304.354 -0.399 30 20 DBED CC(=O)NCC(=O)N1CCC[C@@H]1CNc1cnc(C#N)cn1 1103788189 QSHFKOFNXJROHT-GFCCVEGCSA-N 302.338 -0.113 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)c1cc[n+]([O-])cc1 1104477531 LPTZQLFBXNXNDT-LLVKDONJSA-N 312.333 -0.024 30 20 DBED C=CCNCc1cn(C2CN(C(=O)c3ccnn3C)C2)nn1 1105181641 LZLNENPCTRLLCP-UHFFFAOYSA-N 301.354 -0.016 30 20 DBED C=C(C)CNCc1cn(C2CN(C(=O)C3(C(N)=O)CC3)C2)nn1 1105315624 XEFDSWYPWRGKRN-UHFFFAOYSA-N 318.381 -0.407 30 20 DBED C[C@@H]1CCO[C@@H]1C(=O)N1CC(n2cc(CNCC#N)nn2)C1 1105330153 RKWPMIYCCDWZRT-MFKMUULPSA-N 304.354 -0.300 30 20 DBED C=CCNC1CCC2(CC1)CN(C(=O)CNC(N)=O)CCO2 1105455410 RKJNSPHFXYCURD-UHFFFAOYSA-N 310.398 -0.030 30 20 DBED CCNC(=O)CCC(=O)NC[C@H](O)CNc1cnc(C#N)cn1 1105747189 XTKMZPXDWGEHDP-LLVKDONJSA-N 320.353 -0.846 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)Cn2ccnc2)nn1 1105883411 UCXKANDBYYTPLQ-NSHDSACASA-N 301.310 -0.866 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@@H](C)[C@H](CNCCOCCO)C1 1106116429 CGTAEOBHTOIPMS-QLFBSQMISA-N 312.410 -0.282 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)[C@@H]2CN(C(C)=O)CCO2)C[C@H]1C 1106938176 OXNLCNZCLUOZHS-BMFZPTHFSA-N 321.421 -0.059 30 20 DBED CS(=O)(=O)CC(=O)NC/C=C\CNc1cncc(C#N)n1 1107106221 XCZZCWBOQXBUDN-IHWYPQMZSA-N 309.351 -0.523 30 20 DBED C#CCO[C@H](C)C(=O)NCc1cn(C2CN(CC#N)C2)nn1 1107169659 PBVVIKYWSYXXNQ-LLVKDONJSA-N 302.338 -0.687 30 20 DBED C[C@H](CNc1nccnc1C#N)NC(=O)[C@@H]1CCCNC1=O 1107990595 YIBOJVUHLVSVBU-NXEZZACHSA-N 302.338 -0.209 30 20 DBED C[C@H](CNc1cnc(C#N)cn1)NC(=O)CCS(C)(=O)=O 1108198073 MNLAPMZNVYOPOR-SECBINFHSA-N 311.367 -0.300 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)[C@@H]2CCCC(=O)N2C)C1 1108373357 UMDMECGFFMDJSP-BBRMVZONSA-N 307.394 -0.162 30 20 DBED CC#CCN1CC(N2C[C@@H](NC(=O)[C@H](C)COC)CC2=O)C1 1108524014 XKJQGHHKKQHMHI-OLZOCXBDSA-N 307.394 -0.307 30 20 DBED CCCN(C)CCC(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1 1108587700 UZDMTNXVRQGVAL-ZDUSSCGKSA-N 321.425 -0.357 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)c1cn(C)c(=O)cn1 1108793081 UBNLLVHDEHPPQB-VIFPVBQESA-N 313.321 -0.906 30 20 DBED C[C@@H](CN(C)c1cnc(C#N)cn1)NC(=O)[C@@H]1COCCO1 1108828871 BUBRSUHXYOLPSY-JQWIXIFHSA-N 305.338 -0.295 30 20 DBED C[C@H](CN(C)c1nccnc1C#N)NC(=O)Cc1nc[nH]n1 1109081509 VSAHYPHBHZHYDB-SECBINFHSA-N 300.326 -0.350 30 20 DBED C[C@H](CN(C)c1ccc(C#N)nc1)NC(=O)[C@@H]1CNC(=O)N1 1109210626 DVDBVAVBPHKHHP-SKDRFNHKSA-N 302.338 -0.424 30 20 DBED Cc1nc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)CNC(N)=O)ccc1C#N 1109679171 ATRXRJLDAIUROV-SUNKGSAMSA-N 314.349 -0.377 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H](NC(=O)Cn1nccn1)C1CC1 1109912537 HLLTUFKNIJVTQY-CQSZACIVSA-N 311.349 -0.026 30 20 DBED CCNC(=O)CC(=O)NCC1(Nc2cncc(C#N)n2)CC1 1110105470 DLIOEHCQNNRIBC-UHFFFAOYSA-N 302.338 -0.065 30 20 DBED C#CCNC(=O)CC(=O)NCC1(Nc2cc(F)ncn2)CC1 1110105803 OVNHUILKCABAPM-UHFFFAOYSA-N 305.313 -0.184 30 20 DBED CN(C)C(=O)CC(=O)N(CCO)CCNc1cncc(C#N)n1 1111573281 YQVHHXVOKWFXDX-UHFFFAOYSA-N 320.353 -0.941 30 20 DBED C#CCNC[C@]12CCC[C@H]1CN(C(=O)c1nnc(O)nc1O)C2 1112449251 HUHPWXFEBQEODF-BONVTDFDSA-N 317.349 -0.252 30 20 DBED COCC(=O)NC[C@@H]1CN(c2ncc(C#N)cc2F)C[C@H]1O 1112692752 RKODBJDMPCRPCR-ZYHUDNBSSA-N 308.313 -0.348 30 20 DBED C#CCNC(=O)CC(=O)N1CCN([C@H](C)c2ncccn2)CC1 1112777594 DTZFLIQFVUWDNF-CYBMUJFWSA-N 315.377 -0.179 30 20 DBED C[C@H](NC(N)=O)C(=O)NC1CC(CN=c2cc[nH]c(C#N)n2)C1 1112834925 IOPHDKMWSZPIBZ-IDKOKCKLSA-N 317.353 -0.866 30 20 DBED C#CCC1(C(=O)N2CCN([C@@H](C)C(=O)NC(N)=O)CC2)CCC1 1112950789 FMVWAAIYDNOCHO-LBPRGKRZSA-N 320.393 -0.092 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)c2c[nH]c(=O)cn2)CC1 1113265158 FCDJLZFVQABCJR-LLVKDONJSA-N 319.365 -0.782 30 20 DBED C[C@H](NC(=O)c1cn(C)c(O)n1)[C@@H](C)N=c1cc[nH]c(C#N)n1 1113311886 QXEVITSWEDXOKT-BDAKNGLRSA-N 315.337 -0.172 30 20 DBED CC(C)n1ccc(C(=O)N2CCN(CC(=O)NCC#N)CC2)n1 1113392886 ZSCZWDDTVBAGFB-UHFFFAOYSA-N 318.381 -0.138 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3cc(C)n(C)n3)[C@H]2C1 1113948204 NZTQHYXQTFZKSQ-JYAVWHMHSA-N 317.393 -0.309 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)C(=O)C(C)(C)C)[C@H]2C1 1114077170 NPOVVKNOXBPTTJ-PJXYFTJBSA-N 307.394 -0.050 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)[C@H]3CCCOCC3)[C@@H]2C1 1114189371 NTZBLCDYCKGXPC-BFHYXJOUSA-N 319.405 -0.401 30 20 DBED C#CCO[C@H](C)C(=O)NC1[C@H]2CN(Cc3cnn(CC)n3)C[C@H]12 1114270140 ALELSABZNNULFD-XBFCOCLRSA-N 317.393 -0.117 30 20 DBED C=CCCN1C[C@H]2C(NC(=O)CCS(=O)(=O)NC)[C@@H]2C1 1114272970 FAGJNGATOKMAJS-GHMZBOCLSA-N 301.412 -0.452 30 20 DBED C=CCCCN1C[C@H]2C(NC(=O)CN3C(=O)CNC3=O)[C@@H]2C1 1115210786 OAPQEYZTHQRUMA-GHMZBOCLSA-N 306.366 -0.449 30 20 DBED CCCN(CCO)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1116045555 YRACPVWIQDEMCJ-OUKQBFOZSA-N 310.354 -0.073 30 20 DBED C#CCOCCn1nnnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1120253359 YXQAVKWOMSPETN-OCCSQVGLSA-N 307.354 -0.293 30 20 DBED C[C@@H](CN(C)C(=O)C1(C(N)=O)CC1)Nc1cncc(C#N)n1 1120554012 DJJLEUQOSRXGKV-VIFPVBQESA-N 302.338 -0.127 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)CCn2cccn2)nn1 1121072898 FHRWSUQOBFJFNU-LBPRGKRZSA-N 315.337 -0.476 30 20 DBED N#Cc1cncc(N[C@@H](CO)CNC(=O)C[C@H]2CCOC2)n1 1121398219 GIKYPJDXPSZCGZ-ZYHUDNBSSA-N 305.338 -0.336 30 20 DBED CCc1cc(C(=O)NC[C@H](CO)N=c2cc[nH]c(C#N)n2)no1 1121838683 JTFCSZIKWHOVHR-SECBINFHSA-N 316.321 -0.477 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)C1(CF)CC1 1124781245 WDAFKLICUXCWOT-JTQLQIEISA-N 307.329 -0.249 30 20 DBED C=C[C@](C)(O)CC(=O)NCCNCCCS(=O)(=O)N(C)C 1126377761 FMAUXNPPPLXHBZ-ZDUSSCGKSA-N 321.443 -0.699 30 20 DBED C#CCO[C@@H](C)C(=O)NCCN[C@@H](C)C(=O)Nc1ncccn1 1127046653 UGFLGZQBTAPHPZ-RYUDHWBXSA-N 319.365 -0.452 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)[C@H]2CN3CCC2CC3)C1=O 1127481770 WREUQLAJAVIGOD-GJZGRUSLSA-N 320.437 -0.179 30 20 DBED CC(C)(O)CC(=O)N[C@H]1CCc2nnc(CNCC#N)n2CC1 1128006457 TYJDNXVTWJGPLX-NSHDSACASA-N 320.397 -0.127 30 20 DBED CC#CCCCC(=O)NCc1cnn2c1CN(CC(N)=O)CC2 1128448961 YJBLLKPHARMILB-UHFFFAOYSA-N 317.393 -0.006 30 20 DBED COCC(=O)NCCC(=O)NCCNCc1ccccc1C#N 1128686938 ZGOPFSUFGYFEKM-UHFFFAOYSA-N 318.377 -0.083 30 20 DBED CC#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)C(C)(C)C(N)=O)C1 1129060425 QWDNRXORRNPRNK-NEPJUHHUSA-N 318.381 -0.846 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@H](C)NC(=O)CC)C[C@@H]1n1ccnn1 1129866445 BPROOLHMROYUEF-XQQFMLRXSA-N 318.381 -0.833 30 20 DBED O=C(C#CC1CC1)NCc1nc([C@H]2COCCN2CCO)n[nH]1 1130849868 QODSOWSQNUMTNL-GFCCVEGCSA-N 319.365 -0.800 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)Cc2cc(C)nn2C)C1=O 1131286491 AERFVNOXJOIHEO-AWEZNQCLSA-N 319.409 -0.236 30 20 DBED C=CCCCC(=O)N1CCC(=O)NCCN([C@H](C)C(N)=O)CC1 1131378550 FETYOBGHYZAXJD-CYBMUJFWSA-N 324.425 -0.133 30 20 DBED C#CCCN1CC[C@@]2(C1)CN(C(=O)CNC(C)=O)C[C@H](C)O2 1131625513 VGGJHAIQGHDQRG-XJKSGUPXSA-N 307.394 -0.162 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)c2cn(C)nn2)CC[C@H]1C 1132039077 WRAMDEGAYGQSHI-NEPJUHHUSA-N 320.397 -0.300 30 20 DBED C=CCCN1C[C@@H](NC(=O)CNS(=O)(=O)NC)CC[C@@H]1C 1132199681 LSXUMFUUNBZVJA-RYUDHWBXSA-N 318.443 -0.415 30 20 DBED C#CCNC[C@@H]1CN(C(=O)Cn2c(O)nnc2O)CC[C@H]1C 1133271393 PCGZFYURQIDPLG-GHMZBOCLSA-N 307.354 -0.603 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)C(C)(C)C(F)F 1133571089 GKDDEGCKRGYDTK-UHFFFAOYSA-N 320.340 -0.005 30 20 DBED CCNC(=O)CC(=O)N[C@@H](C)C[C@H](C)NCC(=O)NCC#N 1134142772 GRAZENGJXAKUCX-QWRGUYRKSA-N 311.386 -0.975 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)c1n[nH]cc1C 1134303250 QAKIPFHDXGYMID-VXGBXAGGSA-N 305.382 -0.046 30 20 DBED C=CCn1cc(C(=O)NCCNCC(=O)NCC2CC2)nn1 1134981258 VVZJXMDSPIQZTP-UHFFFAOYSA-N 306.370 -0.690 30 20 DBED C=CCNC(=O)CNCCNC(=O)C(=O)N1[C@@H](C)CCC[C@@H]1C 1135911232 ZBTDAQVROWGBRW-STQMWFEESA-N 324.425 -0.216 30 20 DBED C=CCCC(=O)NC[C@@H]1CN([C@H]2CCC(=O)NC2=O)CCCO1 1149362102 OPJBSLJYVHFEJJ-OLZOCXBDSA-N 323.393 -0.035 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cccc(C(=O)NC)c1 1151620216 CFHCGSCKYHEEQM-UHFFFAOYSA-N 316.361 -0.885 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@H](C)N1CCCCC1=O 1152169794 MVVRVINNONKVMK-STQMWFEESA-N 322.409 -0.769 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)c1cc(C#N)c[nH]1 1152621708 UJUGCKARHTWEHA-LLVKDONJSA-N 316.365 -0.034 30 20 DBED C=CCN(CC)[C@H](C)CNC(=O)CN1C(=O)C(=O)N(C)C1=O 1155607699 VGEUQBUAIGFYFH-SNVBAGLBSA-N 310.354 -0.580 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)c2ncn(C)n2)C1=O 1157485579 BQYBESQGYXKACE-LLVKDONJSA-N 306.370 -0.689 30 20 DBED Cc1cc(C(=O)NCCCNCC(=O)NCC#N)c(C)nn1 1158894603 MKWXESKSDJVOIS-UHFFFAOYSA-N 304.354 -0.557 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1cccc(C(N)=O)c1 1161141229 DVGHENJZBAMUNV-UHFFFAOYSA-N 316.361 -0.756 30 20 DBED CCc1cc(C(=O)NCCCNCC(=O)NCC#N)cc(O)n1 1162685060 RFMJBJLJPQQWQE-UHFFFAOYSA-N 319.365 -0.301 30 20 DBED C=CCNC(=O)CNCCCNC(=O)Cc1ccc(O)nc1 1162757669 FZYYCTNEELTCJZ-UHFFFAOYSA-N 306.366 -0.272 30 20 DBED C=CCNC(=O)CNCCCNC(=O)CCn1cnccc1=O 1169602809 VAJISSIRPJQUCM-UHFFFAOYSA-N 321.381 -0.969 30 20 DBED N#CCNC(=O)CNCCCNC(=O)CCc1nccs1 1176436153 QWVYLZJBGVHVNV-UHFFFAOYSA-N 309.395 -0.189 30 20 DBED C#CCNC(=O)CN1CCO[C@@H]2CCN(C(=O)COCC)C[C@H]21 1176900513 MILVRNRUWAJHTM-ZIAGYGMSSA-N 323.393 -0.926 30 20 DBED CC#CCNC[C@H]1C[C@H]2CC[C@H]1N(C(=O)Cn1ncnn1)C2 1177757009 MVMCMIDMXDVGQT-MGPQQGTHSA-N 302.382 -0.087 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CCN(C)C2)[C@H]1C 1180124751 QIXUOGYZSPDSED-MJBXVCDLSA-N 308.426 -0.181 30 20 DBED C[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)CC[C@H]1CNCC#N 1185328205 VZXTYMHVDLLEJT-MNOVXSKESA-N 307.354 -0.864 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2cc(C)nn2CC)C1 1185852081 JNEQKJQRMHNOQX-CYBMUJFWSA-N 317.393 -0.235 30 20 DBED N#CCNC[C@H]1CN(C(=O)[C@@H]2CNC(=O)N2)CC12CCOCC2 1186463928 CHFRRYIDOYKPOB-RYUDHWBXSA-N 321.381 -0.964 30 20 DBED Cn1cncc1C(=O)N1CC[C@H]2CN(CC(=O)NCC#N)C[C@H]21 1188464337 PWDMIJZQLMYOSX-WCQYABFASA-N 316.365 -0.794 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)CCC(=O)NCC)C1 1189344432 BCJCZOVKDUNILZ-ZDUSSCGKSA-N 324.425 -0.262 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@@H](N(C)CC(=O)NC)C1 1190726357 YYZPSLUURCEIFX-KGLIPLIRSA-N 306.410 -0.637 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)n2cccn2)C1 1191177477 AXCJEGAZGXZVLU-MGPQQGTHSA-N 306.366 -0.745 30 20 DBED C=CCNC(=O)[C@H](C)N(C)[C@@H]1CCN(C(=O)c2cnn(C)n2)C1 1192847885 UCPZFPJKNJCMGV-NWDGAFQWSA-N 320.397 -0.348 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C2(F)CCCC2)C1 1194299183 RPIHTMXSVLVGDD-VXGBXAGGSA-N 311.357 -0.821 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)[C@@H]2CCNC(=O)C2)CC1 1195474701 ZIKDGLNLZFIZHW-CYBMUJFWSA-N 322.409 -0.651 30 20 DBED N#CCNC(=O)CN1CCCN(C(=O)c2cc(F)c[nH]2)CC1 1196539029 CYUPMMILAGSWEU-UHFFFAOYSA-N 307.329 -0.059 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)[C@@H]2CCC(=O)N2C)CC1 1196814207 OKBLLDLSTRFUEU-ZDUSSCGKSA-N 322.409 -0.556 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@H](C)NC(=O)c2ccccc2)C1 1198392979 OCYLIOPNQSCPCG-NWANDNLSSA-N 315.373 -0.401 30 20 DBED N#CCNC(=O)CNC[C@@H]1CN(C(=O)C#CC2CC2)CCCO1 1200452991 PXNIXWZLSUOLKK-CQSZACIVSA-N 318.377 -0.753 30 20 DBED CC#CCNC[C@H]1CN(C(=O)[C@@H]2COCCN2CC)CCCO1 1200858350 FJBDJUDZFWDCCO-HOTGVXAUSA-N 323.437 -0.063 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)c2[nH]c(O)nc2C)CC1 1201166344 YJCCHKXGXHKNKJ-UHFFFAOYSA-N 319.365 -0.633 30 20 DBED C#CCNC[C@H]1CN(C(=O)CS(=O)(=O)CC)CCCO1 1202155275 XHSDQYBAXMLGLF-LBPRGKRZSA-N 302.396 -0.739 30 20 DBED C=CCOCCN[C@H]1C[C@H](NC(=O)Cn2ncnn2)C12CCC2 1202920519 MGEUGNPKVAEACG-STQMWFEESA-N 320.397 -0.107 30 20 DBED CC#CCN[C@H]1C[C@@H](NC(=O)Cn2ncn(C)c2=O)C12CCC2 1203096299 YOSIPSHATVEMPE-QWHCGFSZSA-N 317.393 -0.378 30 20 DBED Cn1c(O)ncc(C(=O)N2CCC(CNCC#N)CC2)c1=O 1205846655 RVKMIIYLGLXGKT-UHFFFAOYSA-N 305.338 -0.549 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN([C@H]2CCN(C)C2=O)C[C@H]1C 1206957588 FQYBWVPGCJDGLT-MCIONIFRSA-N 307.394 -0.307 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(CCn2cccn2)C[C@H]1OC 1212031918 AZQPHIFBXURRPX-ZIAGYGMSSA-N 308.382 -0.099 30 20 DBED C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1NCC(=O)NC(N)=O 1214450223 PPLJWLDJDJVWFQ-LDYMZIIASA-N 318.337 -0.869 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](NCC2CCOCC2)[C@H](C)C1 1214473638 NJIUNHCPYMDTAT-UKRRQHHQSA-N 321.421 -0.011 30 20 DBED CC#CCN[C@@H]1CN(C(=O)CN(C)S(C)(=O)=O)C[C@H]1C 1214765845 AFZHVIPMIJMEKS-VXGBXAGGSA-N 301.412 -0.662 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(CCCS(C)(=O)=O)C[C@@H]1O 1219541486 JQYQNOVIXACHNX-OLZOCXBDSA-N 316.423 -0.614 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)c2[nH]ccc2C)C1 1219544076 ZGTZKNSKUPLXBL-XQQFMLRXSA-N 320.393 -0.211 30 20 DBED CCn1ncnc1CN1C[C@H](O)[C@H](NC(=O)C#CC(C)C)C1 1219580832 BANHVCAZRBHWIO-OLZOCXBDSA-N 305.382 -0.381 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)c2c(C)ncn2C)C1 1219841487 MPWJGOWDSBOXSF-OLZOCXBDSA-N 308.382 -0.294 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2cocc2C)C1 1220142621 BYAFVYFDYXLOAE-OLZOCXBDSA-N 305.334 -0.888 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)[C@@H](C)C(F)(F)F)C1 1220165444 AYZATWCRNSMFSC-MXWKQRLJSA-N 308.300 -0.004 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)[C@@H]2C[C@@H]3C[C@@H]3C2)C1 1220198894 CKCIUDYIBHRNIR-YRKSKIDTSA-N 319.405 -0.668 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)c2cn(C)c(O)n2)C1 1220274789 DAENURNIKRQAPK-PWSUYJOCSA-N 310.354 -0.897 30 20 DBED CCC(CC)CC(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@@H]1O 1220624845 RYVMMFLUYTUXIP-OLZOCXBDSA-N 310.398 -0.386 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)CNC(=O)c2cccs2)C1 1220904277 AUFOJSVYHJULPK-MNOVXSKESA-N 307.375 -0.728 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)C#CC(C)C)[C@@H]2C1 1221529728 NRJWBWKXNNBFEW-HUUCEWRRSA-N 301.390 -0.072 30 20 DBED C=CCOCC(=O)NC1CCN([C@H]2CCC(=O)NC2=O)CC1 1226599533 YEARXOHCLBIPTQ-LBPRGKRZSA-N 309.366 -0.425 30 20 DBED CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCC#N)N(C)C 1228646652 JITPXKDIVQDJAE-MCIONIFRSA-N 323.441 -0.017 30 20 DBED C=CCN1CC[C@@H](N2CC[C@@H]2CN(C)C(=O)CNC(C)=O)C1=O 1230642830 VZHVNGZBURZGFY-ZIAGYGMSSA-N 322.409 -0.558 30 20 DBED C=CCNC(=O)CN1CC[C@H]1CN(C)C(=O)[C@@H]1CN(C)CCO1 1231378205 QOKOWWOMELUTPW-KBPBESRZSA-N 324.425 -0.848 30 20 DBED COCC#CCN1CC[C@H]1CN(C)C(=O)[C@H]1CCCC(=O)N1 1235635010 VBVAGQFKLMYAIU-UONOGXRCSA-N 307.394 -0.162 30 20 DBED CC#CCCNC(=O)C(=O)NCCCN(C)S(=O)(=O)CC 1257176306 GYQVHVKCKZLISG-UHFFFAOYSA-N 317.411 -0.696 30 20 DBED COc1cc(F)cc(F)c1S(=O)(=O)NCC(=O)NCC#N 1257431469 FHNWIFICJHCAGD-UHFFFAOYSA-N 319.289 -0.109 30 20 DBED C#C[C@H](NC(=O)C(=O)Nc1cccc(C(N)=O)n1)[C@H]1CCCO1 1320691827 SVXMTZSIHKPXGG-GXSJLCMTSA-N 316.317 -0.584 30 20 DBED C=CCNC(=O)CS(=O)(=O)c1nnc(-c2cnccn2)n1C 1321871438 NLXCPLLHUCNAQL-UHFFFAOYSA-N 322.350 -0.652 30 20 DBED COc1ccc(C#N)cc1NC(=O)C(=O)NCc1nnn(C)n1 1322248769 UDWGMSNTALLPCT-UHFFFAOYSA-N 315.293 -0.655 30 20 DBED N#CCNC(=O)CNC(=O)Nc1ccnn1C[C@@H]1CCOC1 1324682285 JDANMGABJLWSHT-JTQLQIEISA-N 306.326 -0.319 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N1CCN(C(=O)OCC)CC1 1325759844 CPHSJKSVFONRCA-UHFFFAOYSA-N 319.361 -0.228 30 20 DBED C#CCNC(=O)C1CCN(C(=O)C(=O)N(C)CC(C)(C)N)CC1 1327941111 RMDQXFVNMQBLTI-UHFFFAOYSA-N 322.409 -0.830 30 20 DBED CC(C)(CC#N)CNC(=O)C(=O)NCc1nc(C(N)=O)cs1 1328191807 BSOSNZBOZDHGOI-UHFFFAOYSA-N 323.378 -0.086 30 20 DBED CC(C)[C@H](OC(=O)CCN/C(O)=C1\N=CC=CC1=O)C(N)=O 1329380313 USAYSFVGIZNIAZ-SEVUAYLXSA-N 309.322 -0.044 30 20 DBED CN(CC(C)(C)CN)C(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1329830874 HCUOZHKVSGKJRA-ZDUSSCGKSA-N 321.425 -0.372 30 20 DBED C=CCn1nnnc1N(C)C1CCN(S(C)(=O)=O)CC1 1334446906 BURAHDYHTLUZQM-UHFFFAOYSA-N 300.388 -0.281 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N1CCOC[C@H]1CCO 1341709207 UPYOMPXAEFPLHX-CHWSQXEVSA-N 312.366 -0.859 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CC[C@@](F)(C#N)C1 1343313440 XGRUPKIIWUZYSI-GFCCVEGCSA-N 317.342 -0.832 30 20 DBED N#CCN1CCC(NC(=O)NCCN2CCC(O)CC2)CC1 1355244245 PAKPWUSCTMYJNH-UHFFFAOYSA-N 309.414 -0.270 30 20 DBED COC(=O)C1CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)CC1 1361710495 RCASAILWGTUFTJ-UHFFFAOYSA-N 320.305 -0.768 30 20 DBED C[C@@H](CC(=O)NCCn1cc(C#N)c(O)nc1=O)n1cccn1 1363287813 PCKGACWNKXDTJV-JTQLQIEISA-N 316.321 -0.215 30 20 DBED N#Cc1cn(CCNC(=O)[C@@H]2[C@H]3CCC(=O)[C@H]32)c(=O)nc1O 1363483725 PBVATLSIWULGCD-INTQDDNPSA-N 302.290 -0.838 30 20 DBED CN(C)C(=O)O[C@H]1CCCN(c2[nH]c(=O)n(C)c(=O)c2C#N)C1 1364198447 WEVPNAWMXYNOEB-VIFPVBQESA-N 321.337 -0.388 30 20 DBED CC(=O)NCC(=O)N1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 1372471500 ZDMISHRIWVBFNT-NSHDSACASA-N 303.322 -0.647 30 20 DBED CCN(CCNC(=O)CN(C)C(=O)C1CC1)C(=O)[C@H](C)C#N 1373843921 BZSDYYUWWFNMOF-LLVKDONJSA-N 308.382 -0.021 30 20 DBED CCCN(CCNC(=O)[C@H](C)C#N)C(=O)CN1CCOCC1 1387449142 WPCMWBJFMFRWOF-CYBMUJFWSA-N 310.398 -0.167 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)[C@@H]2CCc3nncn3C2)CC1 1389870282 IZWFNAVNQHFLNL-WDEREUQCSA-N 316.365 -0.235 30 20 DBED CCS(=O)(=O)CC(=O)NC[C@H]1CCN1C(=O)[C@@H](C)C#N 1400413460 FWTWVTALERNJRY-VHSXEESVSA-N 301.368 -0.702 30 20 DBED COCC(=O)N(C)CC(=O)N[C@@H](C)C1CN(C(=O)[C@H](C)C#N)C1 1404651355 HYWSUZZMEYKIBZ-MNOVXSKESA-N 324.381 -0.786 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNCC(=O)Nc1ccccc1 1406205630 HCCHAYBGSOGOAF-AAEUAGOBSA-N 304.350 -0.149 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@@H](CNC(=O)CCc2cnn[nH]2)C1 1406621880 IOBROYQOFIFZGH-FOGDFJRCSA-N 304.354 -0.092 30 20 DBED CCN(CCNC(=O)[C@@H]1CCN(C)C(=O)C1)C(=O)[C@@H](C)C#N 1408764319 JESITSWWKHCRAF-NWDGAFQWSA-N 308.382 -0.021 30 20 DBED C=C(Cl)CNC[C@H](O)CN(C)C(=O)CN1CCOCC1 1410990638 SFKDKJWYKYNWMU-LBPRGKRZSA-N 305.806 -0.520 30 20 DBED CN(CCS(N)(=O)=O)C(=O)[C@@H](C#N)Cc1ccc(C#N)cc1 1413519807 JRBLRVCUHAWNCN-CYBMUJFWSA-N 320.374 -0.013 30 20 DBED CCN(CCC#N)C(=O)CN(C)CCN(C)C(=O)c1cnn[nH]1 1419979758 HJWZZYKWGFGDBV-UHFFFAOYSA-N 321.385 -0.429 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CCN(C(=O)c2cc(C(N)=O)ccn2)C1 1428124227 DPBWPCVUJBZOIQ-KOLCDFICSA-N 315.333 -0.329 30 20 DBED COC(=O)NCC(=O)NCC1CCN(C(=O)[C@@H](C)C#N)CC1 1429721689 GNMCYHUTJJJTRS-JTQLQIEISA-N 310.354 -0.143 30 20 DBED Cn1c(N[C@@H](CCO)C(F)(F)F)c(C#N)c(=O)n(C)c1=O 1434450135 DQLDNJRCHZZPKO-ZETCQYMHSA-N 306.244 -0.319 30 20 DBED C[C@H](C#N)C(=O)N(CCNC(=O)c1ccc(C(N)=O)[nH]1)C1CC1 1449945759 WILSOSUUXOEBCP-SECBINFHSA-N 317.349 -0.006 30 20 DBED CCCN(C(=O)Cn1ncnn1)[C@H]1CCN(C(=O)[C@H](C)C#N)C1 1449993459 CLKFCZIKLSPPLJ-NEPJUHHUSA-N 319.369 -0.328 30 20 DBED COCCN(CCNC(=O)[C@H](C)C#N)C(=O)c1cn(C)nn1 1452148000 BJYOZLJACPHYET-SNVBAGLBSA-N 308.342 -0.820 30 20 DBED C[C@@H]1CCCN(C(=O)Cn2cc(C#N)c(O)nc2=O)[C@@H]1CCO 1469918566 VPATZRJOMBILPW-ZYHUDNBSSA-N 320.349 -0.170 30 20 DBED N#CCNC(=O)CN1CCC[C@H]1CNC(=O)C[C@H]1CCOC1 1481033033 QOOVVFJQJHWDJF-OLZOCXBDSA-N 308.382 -0.367 30 20 DBED CC[C@@H](C(=O)N1C[C@H](NCC(=O)NCC#N)C(C)(C)C1)N(C)C 1486243019 POMAGWHYZFDDBA-STQMWFEESA-N 323.441 -0.207 30 20 DBED CCCC[C@H](NC(N)=O)C(=O)N1CC(NC(=O)[C@@H](C)C#N)C1 1498384083 SBKNUAPSORHRKG-ONGXEEELSA-N 309.370 -0.300 30 20 DBED N#Cc1cc(C(=O)N2CC(CNC(=O)Cn3cccn3)C2)c[nH]1 1498463571 RULMHQGMNWXWEC-UHFFFAOYSA-N 312.333 -0.029 30 20 DBED CCO[C@H](CC)C(=O)NC[C@H](O)CNC(=O)c1ccc(C#N)[nH]1 1501446999 VBMKMWABSIFFME-DGCLKSJQSA-N 322.365 -0.092 30 20 DBED C=CCn1c(C[C@@H](C)O)nnc1N1CCO[C@H](C(=O)NC)C1 1520355984 RFZDHUPNAUQQFH-MNOVXSKESA-N 309.370 -0.661 30 20 DBED C=CCn1c(-c2ncnn2C)nnc1N1CCNC(=O)[C@H]1CC 1520622764 UZAHTQYKZRTSLJ-SNVBAGLBSA-N 316.369 -0.026 30 20 DBED C[C@H](CS(C)(=O)=O)C(=O)NCC1CN(C(=O)[C@H](C)C#N)C1 1530795552 NBAADTVDAYWYDQ-NXEZZACHSA-N 315.395 -0.599 30 20 DBED N#Cc1ccc(C(=O)NC[C@@H](O)CNC(=O)[C@@H]2CCCOC2)[nH]1 1533204888 JJWSBXKYJZPOSQ-PWSUYJOCSA-N 320.349 -0.480 30 20 DBED C#CC[C@@H](CO)NC(=O)Nc1cnc(OC)c(-c2nn[nH]n2)c1 1588330740 DFSUFLVQXDGRAE-QMMMGPOBSA-N 317.309 -0.224 30 20 DBED C[C@](C#N)(CC(=O)O)C(=O)N1CCO[C@@H](CS(C)(=O)=O)C1 1588538949 RMJGLIRWGCFFPT-BXKDBHETSA-N 318.351 -0.737 30 20 DBED C=CCOCC(=O)NC[C@@H](C)N=c1cc[nH]c(-c2nn[nH]n2)n1 1588674437 NVHQTKSLQSWIGN-SECBINFHSA-N 318.341 -0.802 30 20 DBED CNC(=O)[C@]1(C)CCN(c2cnc(C#N)c(-c3nn[nH]n3)n2)C1 1591201247 CBJKWYBVTFTXMG-CYBMUJFWSA-N 313.325 -0.509 30 20 DBED N#C[C@]1(NC(=O)CN2CCC[C@@H](C(=O)O)C2=O)CCSC1 1601057173 OHZNDNYDROHAOY-NOZJJQNGSA-N 311.363 -0.175 30 20 DBED C#CCN(CC(=O)O)C(=O)[C@@H](O)[C@@H](O)c1nc2ccccc2[nH]1 1602679848 XJJRDXGPQCUQIX-OLZOCXBDSA-N 317.301 -0.496 30 20 DBED C[C@H](CNc1ccc(-c2nn[nH]n2)nn1)NC(=O)C#CC1CC1 1605435257 HPOIHNIBSZUIBJ-SECBINFHSA-N 312.337 -0.013 30 20 DBED CN(C(=O)[C@@H]1C[C@H]1C(=O)O)C1CN(C(=O)c2ccc(C#N)[nH]2)C1 1605955950 CSTBQSYEEAFISR-GHMZBOCLSA-N 316.317 -0.110 30 20 DBED N#CCN(CC#N)S(=O)(=O)c1ccc(-c2nn[nH]n2)nc1 1609495380 ITCCNKBSZPVWRC-UHFFFAOYSA-N 304.295 -0.700 30 20 DBED C#CCNC(=O)CN1CCC[C@@H](NC(=O)C2(CN(C)C)CC2)C1 1660842139 OICJBHNYGSVSMH-CQSZACIVSA-N 320.437 -0.342 30 20 DBED C#Cc1ccc(C(=O)NC[C@H](C)N[C@H]2CCC(=O)NC2=O)nc1 1752912494 DIZBJULJJKVEOK-GWCFXTLKSA-N 314.345 -0.424 30 20 DBED C=CCN1CC[C@@H](N[C@H](C)CCNC(=O)c2cnn(C)n2)C1=O 1753015290 FJOIENRMLGYRMX-VXGBXAGGSA-N 320.397 -0.300 30 20 DBED C=CCOCCN1CC[C@@H](CNC(=O)C[C@@H]2NC(=O)NC2=O)C1 1753127345 MNFOPUZPJIKOAE-RYUDHWBXSA-N 324.381 -0.775 30 20 DBED C=CCN1C[C@@H]2C[C@H]1CN2C(=O)CCCn1c(O)nnc1O 1753421960 DIZKDUFSBOPEJW-QWRGUYRKSA-N 307.354 -0.059 30 20 DBED C#CCN1CCC(CCNC(=O)CCNS(C)(=O)=O)CC1 1753594451 CTKMPONFYJPSNC-UHFFFAOYSA-N 315.439 -0.223 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@H]1CCCN1C(=O)c1cnsn1 1753600361 VZVLNSXTBKUGEW-WDEREUQCSA-N 321.406 -0.130 30 20 DBED Cc1cnccc1CC(=O)NC[C@H](C)CNCC(=O)NCC#N 1753614988 XPWHEPAGMZBVMM-GFCCVEGCSA-N 317.393 -0.086 30 20 DBED C#CCNC(=O)CNC[C@@H]1[C@H](C)CCCN1C(=O)c1nc[nH]n1 1753812293 ORJAWRGTLANJKX-VXGBXAGGSA-N 318.381 -0.616 30 20 DBED CCn1nc(C(=O)NC/C=C\CNCC#CCOC)ccc1=O 1754184458 ILWVFVKKRLVGMS-PLNGDYQASA-N 318.377 -0.211 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@@H]1CNC(=O)C1(COC)CC1 1754488903 MFRAQAHXNMKHLU-QWHCGFSZSA-N 307.394 -0.259 30 20 DBED COCC#CCN1CC(O)(CNC(=O)c2cnccc2C)C1 1754766445 RKLWPVAGXYRDPH-UHFFFAOYSA-N 303.362 -0.184 30 20 DBED CC#CCNCCN(CCO)C(=O)c1nc(OC)cc(OC)n1 1754885326 KTGOUMCSISILIF-UHFFFAOYSA-N 322.365 -0.459 30 20 DBED C#CCN(C)CCCN(C)C(=O)c1cn(C)c(=O)n(C)c1=O 1755046041 RPIHNUSPKKVBPJ-UHFFFAOYSA-N 306.366 -0.889 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H](C)CNC(=O)CCCCNC(N)=O 1756044072 FFEXAGWGFAQKCS-GHMZBOCLSA-N 311.386 -0.052 30 20 DBED C=CCCC(=O)NC1(CCO)CN(C(=O)c2cnnc(O)c2)C1 1756078660 WBWWFVFTTXDASO-UHFFFAOYSA-N 320.349 -0.158 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@H](CO)CNC(=O)c1cnns1 1756506978 YSEUIBDIXOCSJS-IUCAKERBSA-N 314.367 -0.664 30 20 DBED C[C@H](O)C(=O)N1CC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1783527670 KTBAOGYRZDWMGO-LRDDRELGSA-N 321.377 -0.109 30 20 DBED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccon1)CCO2 1834490085 IGALJKVDEHQTNO-OAHLLOKOSA-N 319.317 -0.622 30 20 DBED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)c1ncccn1)C2 1846195294 ZATFYMIPESJHLG-UHFFFAOYSA-N 314.301 -0.618 30 20 DBED Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCC#N 18392220 VCXDTLLVASMRLG-UHFFFAOYSA-N 313.335 -0.274 30 20 DBED C=CCN(CCC(=O)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 66560843 RUNBVCASQKJQQY-CYBMUJFWSA-N 316.423 -0.090 30 20 DBED C=CCN1CCC(NC(=O)NC[C@H]2CC[C@H](C(N)=O)O2)CC1 177239674 LZMZPINWEHMFED-CHWSQXEVSA-N 310.398 -0.031 30 20 DBED C=C[C@@H](CC)OC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 181207467 GPWUZYGVGHMRCX-VIFPVBQESA-N 306.322 -0.059 30 20 DBED C=CCN(CCOC)[C@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O 191137382 CSGXZBMHKKOIKZ-SNVBAGLBSA-N 324.381 -0.628 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCc2cnn(CC)c2)C1=O 265121978 CNXRJUHOICHOJS-UHFFFAOYSA-N 319.321 -0.504 30 20 DBED CC(C)N1CCN(C(=O)C(=O)Nc2ccc(C#N)cn2)CC1=O 293279052 CSVMPWXUKIYVBW-UHFFFAOYSA-N 315.333 -0.029 30 20 DBED COCCN/C(N)=N/CCS(=O)(=O)NC[C@H]1CCCCO1 304057470 MWDNKMYPXWWNPO-LLVKDONJSA-N 322.431 -0.974 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N(C)[C@H](C)CN1CCOCC1 330373678 BLLSJOCITKIZFO-QWHCGFSZSA-N 318.443 -0.025 30 20 DBED CC(C)N1CC[C@H](N/C(O)=N/CC(=O)N2CCOCC2)C1=O 330693545 YKXYBMFOALUEJE-NSHDSACASA-N 312.370 -0.642 30 20 DBED C[C@]1(C(N)=O)CCCCN1S(=O)(=O)N1CCO[C@@H](C#N)C1 336895283 MPDCDXPKRSFCPA-CMPLNLGQSA-N 316.383 -0.815 30 20 DBED CN(C[C@@H](O)C(F)(F)F)S(=O)(=O)N1CCO[C@H](C#N)C1 336898067 UOSDEMJFWJXUFH-HTQZYQBOSA-N 317.289 -0.689 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@H]1CCN(C2CC2)C1 336931404 ZYNMPOASZPINQI-LBPRGKRZSA-N 316.427 -0.080 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1C[C@@H](CO)OC[C@@H]1C 336940589 JCHPDMXKASEODW-RYUDHWBXSA-N 321.399 -0.825 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)NC[C@H](O)C1CCOCC1 337090847 KIYOYMJEMYATDN-PWSUYJOCSA-N 305.400 -0.300 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N2CC[C@H](N3CC=CC3)C2)CCO1 337095082 PSXOVECBEDBJLN-QWHCGFSZSA-N 312.395 -0.598 30 20 DBED COC(=O)[C@]1(NCC(=O)N(CCC#N)CCC#N)CCOC1 348066025 AWKFXJBQRPKRRE-AWEZNQCLSA-N 308.338 -0.436 30 20 DBED C[C@@H]1C[C@H](O)CN1C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N 351050295 CRVTXCXGGMVAFS-KOLCDFICSA-N 319.365 0.430 30 20 DBED CNS(=O)(=O)[C@@H]1CCN([C@@H](C)C(=O)N(C)CCC#N)C1 366709404 JDPRQOYAWJQRMN-WDEREUQCSA-N 302.400 -0.630 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N1CC[C@@](C)(C(=O)NC)C1 410911656 RKIZZGKBCVDHHP-OAHLLOKOSA-N 311.382 -0.368 30 20 DBED C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1C[C@@H]2CC[C@@H](O)[C@H]2C1 425902575 VZBOCHNMPWYTAX-YHQUGGNUSA-N 308.378 -0.077 30 20 DBED CC1(C)[C@@H](NC(=O)C(=O)Nc2ccn(CCC#N)n2)C[C@H]1O 426848579 PMOCEJCELWRUQI-VHSXEESVSA-N 305.338 0.011 30 20 DBED COC(=O)CC1(NS(=O)(=O)N(C)CCC#N)CCOCC1 487103235 MOYXTQGPTDOSQI-UHFFFAOYSA-N 319.383 -0.221 30 20 DBED C#CCN1CCN(C(=O)CN(CC(=O)OCC)C2CC2)CC1 490778793 LKMWUKNRCMLUTP-UHFFFAOYSA-N 307.394 -0.209 30 20 DBED C#CCNC(=O)CCN1CCC(O)(CN2CCOCC2)CC1 491754960 WVKXHKVZGSUJOO-UHFFFAOYSA-N 309.410 -0.715 30 20 DBED N#Cc1ncn(CCNS(=O)(=O)CCC2CCOCC2)n1 516903893 JJQAVGJYGDHNKR-UHFFFAOYSA-N 313.383 -0.114 30 20 DBED N#Cc1cccc(NC(=O)NCCOCCS(N)(=O)=O)n1 564942708 NMNYXBDNIUVCCU-UHFFFAOYSA-N 313.339 -0.620 30 20 DBED C[C@H](COCC1CC1)NS(=O)(=O)N1CCO[C@@H](C#N)C1 593654856 XERMLEUHZCUZCA-PWSUYJOCSA-N 303.384 -0.140 30 20 DBED Cc1cc(C#N)cnc1C(=O)NCCOCCS(N)(=O)=O 598735584 UVAZZBRXKMRSHO-UHFFFAOYSA-N 312.351 -0.703 30 20 DBED COc1cc(NC(=O)C(=O)NCC(=O)N(C)C)c(F)cc1C#N 599936541 XWSMPBIXWUVCTP-UHFFFAOYSA-N 322.296 -0.151 30 20 DBED C=CCCOCCNC(=O)C(=O)N1CCN(CCC#N)CC1 602257888 FEGMMTURBYMHFT-UHFFFAOYSA-N 308.382 -0.247 30 20 DBED CCN1C[C@@H](C)N(c2c(C#N)c(=O)n(C)c(=O)n2C)C[C@H]1C 611221694 VABYEWZKPBDUHW-GHMZBOCLSA-N 305.382 -0.125 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)NCCCn1cncn1 619707383 IFJCLOUWWAWXHP-LLVKDONJSA-N 300.388 -0.016 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@@H]1CCN(C)C(=O)C1 619714165 AAKNRNRYUUMKRW-WDEREUQCSA-N 302.400 -0.077 30 20 DBED CC#CC[C@H](CO)NC(=O)NC1CCC2(CC1)NC(=O)NC2=O 645501912 GRSIHHGEVDGXMB-LOIXOFCESA-N 322.365 -0.419 30 20 DBED C=CCn1c(-c2cc[nH]n2)nnc1N1CCO[C@@H](C(N)=O)C1 669031991 XOLSSXATWZZDJV-SNVBAGLBSA-N 303.326 -0.455 30 20 DBED CC#CCCNC(=O)N1CCN(CC(=O)NCCOC)CC1 681538915 ZXLQIJIZOAQGNR-UHFFFAOYSA-N 310.398 -0.510 30 20 DBED N#CCN1CCC(NC(=O)c2ccc(-c3nn[nH]n3)cn2)CC1 737694943 HEEZVSPAPARTGF-UHFFFAOYSA-N 312.337 -0.021 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(CN(C)C[C@H](C)C#N)c1=O 746705348 BYECFVDVLZTVKF-GFCCVEGCSA-N 319.365 -0.407 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCC2(CC1)NC(=O)N(C)C2=O 764408242 KFEPCPWCIJBHEV-LBPRGKRZSA-N 318.377 -0.373 30 20 DBED COC[C@H](C)NC(=S)NN=Cc1cn(CC(=O)O)nn1 768475903 DZZYINUCFVIDAE-ZETCQYMHSA-N 300.344 -0.804 30 20 DBED COC(=O)Cn1cc(C(C)=NNS(=O)(=O)C(C)C)nn1 772843806 ZBVJEYPOTOLJCI-UHFFFAOYSA-N 303.344 -0.497 30 20 DBED N#CCc1ccccc1CC(=O)NCCN1C(=O)CNC1=O 776922584 SVNAETSPNLKKEH-UHFFFAOYSA-N 300.318 -0.037 30 20 DBED Cn1cnn(CC(=O)NCCNc2ncccc2C#N)c1=O 778647792 VTTHGDYBOQUYDP-UHFFFAOYSA-N 301.310 -0.923 30 20 DBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NOCCO 787294440 OZCDWMFBQCLLJM-SECBINFHSA-N 313.335 -0.735 30 20 DBED N#Cc1ccc(S(=O)(=O)NC[C@@H]2CC(C(N)=O)=NO2)s1 797832956 AYCXCINNKHQWSA-LURJTMIESA-N 314.348 -0.472 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)Cn2cc([C@@H](C)O)nn2)C1=O 799027025 AEOZRAZBMQFWLU-PWSUYJOCSA-N 307.354 -0.423 30 20 DBED CCOC(=O)CNC(=O)[C@@H]1COCCN1CCO[C@H](C)C#N 801938540 GLASRGNSTFEBNF-NEPJUHHUSA-N 313.354 -0.705 30 20 DBED C#C[C@@H](NC(=O)C(=O)NCC(C)(C)C(=O)NC)[C@@H]1CCCO1 809308282 HATKHFSNSNTSAM-MNOVXSKESA-N 309.366 -0.828 30 20 DBED O=S(=O)(O[C@H]1CNOC1)c1ccc2nc(O)nc(O)c2c1 809381489 VOBPJCOQAIWAJC-LURJTMIESA-N 313.291 -0.350 30 20 DBED CS(=O)(=O)N1CC(CNC(=O)c2cccc(C#CCO)c2)C1 828644197 HDTMHQQNIALXEB-UHFFFAOYSA-N 322.386 -0.348 30 20 DBED CS(=O)(=O)c1ccccc1CC(=O)N[C@@H]1CNC[C@H]1C#N 834499816 NCRBKFURAKNJOM-VXGBXAGGSA-N 307.375 -0.140 30 20 DBED N#C[C@@H]1CNC[C@H]1NC(=O)CNC(=O)COc1ccccc1 834516889 NEFIZLZEGNEKGR-DGCLKSJQSA-N 302.334 -0.591 30 20 DBED C=C[C@H](C)ONC(=O)N1CCN(CC(=O)NCCOC)CC1 845631695 SCXZQNUBDFHEQM-LBPRGKRZSA-N 314.386 -0.418 30 20 DBED C=CCOCC(=O)N1CCS(=O)(=NS(C)(=O)=O)CC1 854590719 APBJTYCALVJZBV-UHFFFAOYSA-N 310.397 -0.541 30 20 DBED C#CC1(O)CN(C(=O)c2cc(S(=O)(=O)N(C)C)cn2C)C1 890525151 ZXZMIGAUJLLEAC-UHFFFAOYSA-N 311.363 -0.905 30 20 DBED C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1OC 912395534 KIMYGHDWXBLCOZ-DDHJBXDOSA-N 303.380 -0.104 30 20 DBED CCOC(=O)c1c[nH]nc1S(=O)(=O)Nc1c[nH]nc1C#N 912562276 CDCVQYAETOPSEE-UHFFFAOYSA-N 310.295 -0.018 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)NCCO[C@@H]1CCOC1 932873422 NAPKTMZSEUQAPK-CYBMUJFWSA-N 312.366 -0.594 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)c3cnn(C)n3)C2)cn1 941880012 ZWROWUYRSRQDJG-CYBMUJFWSA-N 324.344 -0.164 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)c1cnn(C)c1N)CCO2 949078457 ILSXDCCCOFAURV-UHFFFAOYSA-N 317.393 -0.058 30 20 DBED C#CCN1CCOC2(CCN(C(=O)c3cnnn3C)CC2)C1 949355682 SXWLAGJGGZEBGQ-UHFFFAOYSA-N 303.366 -0.245 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)[C@H]1CCOC1 950313244 PTWSKPLSUNIJMI-ZNMIVQPWSA-N 319.405 -0.162 30 20 DBED O=C(Cn1cncn1)N[C@@H]1CCCN(C(=O)C#CC2CC2)C1 950764498 PWAIXJURQVBQFP-CYBMUJFWSA-N 301.350 -0.201 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1 951868952 ZCVUMVQPZYWVCC-KOLCDFICSA-N 320.349 -0.694 30 20 DBED C=CCN1C[C@H](CNC(=O)c2cnn3c2OCCC3)[C@@H](O)C1 958220274 WEOTWCSTDZHIDH-AAEUAGOBSA-N 306.366 -0.126 30 20 DBED CC#CCN1C[C@@H](O)[C@H](CNC(=O)c2ccc(C(N)=O)o2)C1 958240034 XNPSNDXBNNMZQS-GHMZBOCLSA-N 305.334 -0.576 30 20 DBED Cn1cnc2cc(C(=O)NC[C@@H]3CN(CC#N)C[C@@H]3O)cnc21 958318531 DURVLMPKQIQQSQ-YPMHNXCESA-N 314.349 -0.486 30 20 DBED C=CCCN1C[C@@H](O)[C@H](CNC(=O)c2ccc(C(N)=O)[nH]2)C1 958408577 KDHYUOCVTNGMNK-ZWNOBZJWSA-N 306.366 -0.288 30 20 DBED C#CCN1C[C@@H]2C(NC(=O)c3coc(S(N)(=O)=O)c3)[C@H]2C1 960623359 PDQPLOAPMUQRCJ-UWVGGRQHSA-N 309.347 -0.780 30 20 DBED C#Cc1cncc(C(=O)N[C@H]2[C@@H]3CN(Cc4nc(O)n[nH]4)C[C@@H]32)c1 961723144 QNRZIESCCMJMFE-IMRBUKKESA-N 324.344 -0.253 30 20 DBED CC#CCN1C[C@H]2[C@H](NC(=O)[C@@H]3CCCCN3C(N)=O)[C@H]2C1 962271350 MTFPFQJOYHFALN-RFQIPJPRSA-N 304.394 -0.011 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)C(N)=O)CC1 965138630 LUTLFJOEBVZYHU-OLZOCXBDSA-N 320.393 -0.933 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC2(CN(C(=O)c3nc[nH]n3)C2)C1 965475467 WYXSCERJVHMKKQ-VIFPVBQESA-N 304.310 -0.982 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H](NC(=O)[C@H]2CCC(=O)N2C)C1 965988740 BKZAUEODVBYFBY-QJPTWQEYSA-N 306.366 -0.126 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)CN3CCCNC3=O)[C@H]2C1 976809842 XCBIHGFEZPYLIE-MEWQQHAOSA-N 319.365 -0.866 30 20 DBED CNC(=O)[C@H](C)N1C[C@H]2C(CNC(=O)c3ccc(C#N)[nH]3)[C@@H]2C1 978028393 DWYOSENCOWKPDF-XDTLVQLUSA-N 315.377 -0.072 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CC[C@@H]3CN(C(=O)C(N)=O)C[C@@H]32)c[nH]1 979938397 QSIOSYZRYJLJLU-JFUSQASVSA-N 315.333 -0.662 30 20 DBED N#Cc1c[nH]c(C(=O)N2CCCCC[C@@H](NC(=O)C(N)=O)C2)c1 986979710 QAROOELRQSYOAQ-LLVKDONJSA-N 317.349 -0.127 30 20 DBED C=CCN1CCC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@H]1C 993332309 AYDMVVYXZGJWMS-MNOVXSKESA-N 306.370 -0.468 30 20 DBED C#CCCN1CCC[C@@H](NC(=O)Cn2ncn(C)c2=O)[C@H]1C 993515661 SURMZJNIUIZHKF-CHWSQXEVSA-N 305.382 -0.426 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@]2(F)CCOC2)C1 994750816 CYRIPIYMQSOEHH-XJKSGUPXSA-N 323.368 -0.460 30 20 DBED CCCCN1CCOC[C@H]1C(=O)NC1CN(C(=O)[C@@H](C)C#N)C1 996326303 UXAHVPXQYITSOO-JSGCOSHPSA-N 322.409 -0.026 30 20 DBED CN1CC[C@H](C(=O)NC2CN(C(=O)c3cc(C#N)c[nH]3)C2)C1=O 997917227 PGWDTSNVOIHDLX-LLVKDONJSA-N 315.333 -0.695 30 20 DBED C=C(C)CNC1CC(N(C)C(=O)CN2C(=O)C(=O)N(C)C2=O)C1 999497360 GVZLZFSIRLEDKQ-UHFFFAOYSA-N 322.365 -0.438 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CCNC2=O)C1 1000017754 UNUWXAOOQYBVSN-WOPDTQHZSA-N 307.350 -0.959 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)c2cncnc2O)C1 1000022506 PRJQUMNFLZEUPJ-PWSUYJOCSA-N 318.333 -0.286 30 20 DBED C[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1NC(=O)C(N)=O 1005208651 VCGAAOOPSCQZMV-LDYMZIIASA-N 303.322 -0.662 30 20 DBED C[C@@H](NC(=O)[C@@H]1COCCO1)C1CN(C(=O)C#CC2CC2)C1 1005735398 ZBWRTEQUQXXQSP-RISCZKNCSA-N 306.362 -0.222 30 20 DBED Cn1nnc(C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)CC2(C)C)n1 1008446199 AUXGNEJFQYOADW-LLVKDONJSA-N 316.365 -0.410 30 20 DBED C[C@H]1[C@H](NC(=O)c2cnn(C)n2)CCN1C(=O)C#CC1CC1 1011739887 WAXDLFYFOXABDA-CMPLNLGQSA-N 301.350 -0.052 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@]3(NC(=O)C(N)=O)CCC[C@H]23)c1 1014444519 JLIPXDVUJJFWHY-XHDPSFHLSA-N 315.333 -0.375 30 20 DBED C=CCn1cc(C(=O)N2CCC[C@@H](NC(=O)C(N)=O)[C@@H]2C)nn1 1015194419 ONPSKLWSWOXNQZ-VHSXEESVSA-N 320.353 -0.941 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H](NCc2cn(C)nn2)C1 1020250784 QNOPOQFSFVBKOU-YDHLFZDLSA-N 316.409 -0.351 30 20 DBED Cc1cc(CC(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2O)n[nH]1 1023359701 VDHKKNXPCZFKNB-GGZOMVNGSA-N 305.338 -0.892 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C=C(C)C)C[C@H]1O 1024356576 BNYUXWOHEIOQPG-QLFBSQMISA-N 319.405 -0.262 30 20 DBED CCc1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2O)n(C)n1 1025290341 HUBDBYKRVQIDCA-UFGOTCBOSA-N 319.365 -0.556 30 20 DBED N#CCN1CCC[C@@H]1CNC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 1027878905 KALCJBDVWZCTDS-NWDGAFQWSA-N 316.365 -0.133 30 20 DBED N#CCN1CCC[C@H]1CNC(=O)[C@H]1CCc2nnnn2CC1 1028149547 GBFYDUYNSFCJFH-RYUDHWBXSA-N 303.370 -0.270 30 20 DBED C=CCN1CC[C@H](CNC(=O)c2c[nH]nc2S(N)(=O)=O)C1 1028791787 UYKJWTSJQQLMSM-SECBINFHSA-N 313.383 -0.705 30 20 DBED C#CCN1CC[C@H](CNC(=O)[C@@H]2CCc3nnnn3CC2)C1 1028816808 LMVIARBETSPHTB-CHWSQXEVSA-N 302.382 -0.303 30 20 DBED CC(=O)N1CCOC[C@@H]1C(=O)N1C[C@@H]2CC[C@H](C1)N2CC#N 1029589754 WGJKJZNGWSAGLL-HZSPNIEDSA-N 306.366 -0.568 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)[C@]3(C)CCC(=O)N3)C2)C1=O 1030912817 JMPLNQNXKINIPE-WBMJQRKESA-N 320.393 -0.758 30 20 DBED C=CCN1CC[C@H](N(CC)C(=O)c2cn(CC(N)=O)nn2)C1 1034049225 LXPATOQWKNLYQL-NSHDSACASA-N 306.370 -0.514 30 20 DBED C=CCn1cc(C(=O)N2CC[C@@H]3[C@@H](CCN3CCO)C2)nn1 1036838119 SXXRYQNFXGTMHU-GXTWGEPZSA-N 305.382 -0.007 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)Cn2ccnc2)C1 1040214498 OLRVJWBTVQGYOJ-BXUZGUMPSA-N 305.338 -0.878 30 20 DBED CN1CCC[C@@H]1C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1O 1040946149 XITLTCVBXXUWBO-JHJVBQTASA-N 316.365 -0.892 30 20 DBED Cc1n[nH]cc1C(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1O 1041270974 RJHWASQEVDNYFP-ZIAGYGMSSA-N 312.333 -0.036 30 20 DBED N#Cc1cc(C(=O)N2CC[C@@H]3CCN(CC(N)=O)[C@H]3C2)c[nH]1 1042018974 PJXLLPXGSJKLME-GWCFXTLKSA-N 301.350 -0.092 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)[C@H](C)SC)C1 1042040592 VQYLLTIPJZZMKX-JTQLQIEISA-N 302.396 -0.370 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)[C@H]2C[C@H]3C=C[C@H]2O3)C1 1042052670 QLJGNRCQBFTZJT-FRRDWIJNSA-N 322.361 -0.778 30 20 DBED N#CCSCC(=O)N1CC(O)(CNC(=O)[C@@H]2[C@H]3CCC[C@H]32)C1 1042386222 CLTLDLUPAUZRKS-PJXYFTJBSA-N 323.418 -0.021 30 20 DBED N#Cc1cc(C(=O)NCC2(O)CN(C(=O)[C@@H]3CCCO3)C2)c[nH]1 1042666779 LZYCZTGYOWRGNZ-LBPRGKRZSA-N 318.333 -0.632 30 20 DBED C#CCN1CCC(C(=O)NCC2(O)CN(C(=O)C(C)C)C2)CC1 1043425399 BQHWEOJTDAAAJY-UHFFFAOYSA-N 321.421 -0.323 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)C[C@@H]2CCC(=O)N2)C1 1043847481 RRXYOUKFQHQXOW-LBPRGKRZSA-N 321.377 -0.996 30 20 DBED CN1CC[C@@H](CC(=O)NCC2(O)CN(C(=O)C#CC3CC3)C2)C1 1044011685 UAWNAUHABSAEME-AWEZNQCLSA-N 319.405 -0.569 30 20 DBED C[C@H]1C[C@@H](NCC#N)CCN1C(=O)c1cnc(O)n(C)c1=O 1044707459 MTCXZWJVFWADIC-UWVGGRQHSA-N 305.338 -0.408 30 20 DBED C=CCN[C@@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)[C@@H](C)C1 1044872122 NTORZHXDYSFZKS-WDEREUQCSA-N 306.370 -0.468 30 20 DBED Cc1cc(C(=O)NCC2(O)CN(C(=O)[C@@H](C)C#N)C2)ccn1 1045180347 LOYNHFRSKMAVLI-JTQLQIEISA-N 302.334 -0.147 30 20 DBED C=CCC(C)(C)C(=O)N1CC(O)(CNC(=O)C2(C(N)=O)CC2)C1 1045494313 XIFKIMCCIGKWLS-UHFFFAOYSA-N 323.393 -0.456 30 20 DBED CC1(NC(=O)[C@@H]2Cc3cncn3C(=O)N2)CCN(CC#N)CC1 1045511254 HTKBVKDHAYBYTL-LBPRGKRZSA-N 316.365 -0.140 30 20 DBED C[C@]1(NC(=O)c2cc(=O)n3[nH]cnc3n2)CCN(CC#N)C1 1046768962 JQXCMHOFKGSWPT-ZDUSSCGKSA-N 301.310 -0.865 30 20 DBED C#CCOCCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(N)=O)C2 1047531852 ROFBLNCPPBQNMX-SRVKXCTJSA-N 307.350 -0.993 30 20 DBED C=C[C@](C)(O)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C(F)F)C1 1047974459 VPTYVJGNTRTEHE-RVBZMBCESA-N 306.309 -0.391 30 20 DBED C=CCOCC(=O)N(C)[C@H]1CN(C(=O)CCSC)C[C@@H]1O 1048551804 SIEXRSHHGJVSMY-RYUDHWBXSA-N 316.423 -0.028 30 20 DBED C=CCOCC(=O)N(C)[C@H]1CN(C(=O)c2cnc(C)[nH]2)C[C@@H]1O 1048555032 NLDIIAZQIRPVAY-STQMWFEESA-N 322.365 -0.436 30 20 DBED CN(C(=O)C#CC1CC1)[C@H]1CN(C(=O)c2n[nH]cc2F)C[C@@H]1O 1048824799 LFUBDFOTRUCYML-RYUDHWBXSA-N 320.324 -0.394 30 20 DBED C=CCCOCC(=O)N(C)[C@H]1CN(C(=O)COCC)C[C@@H]1O 1049008087 YCYGQIDXUKGWTH-STQMWFEESA-N 314.382 -0.354 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CCC(=O)N2)C1 1049065223 BXQIDMQJYCBCHR-AVGNSLFASA-N 323.393 -0.349 30 20 DBED CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC(=O)NC(=O)N1 1049751207 CLPBHIDKJCJWMV-YNEHKIRRSA-N 318.377 -0.327 30 20 DBED CC(=O)N1CCO[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CCN3CC#N)C1 1049871210 PTYFGDIQDBNXOL-ILXRZTDVSA-N 320.393 -0.177 30 20 DBED C#CCOCCC(=O)N1CC[C@@H]([C@H](C)NC(=O)c2nc[nH]n2)C1 1050730805 ZKUCVWDGQNMHDI-NWDGAFQWSA-N 319.365 -0.189 30 20 DBED COCCn1cc(C(=O)NC[C@H]2COCCN2CC#N)c(C)n1 1050918900 BKTHTAZNBGQSTB-ZDUSSCGKSA-N 321.381 -0.208 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)[C@H]1CCc2nc(C)nn2C1 1051045929 ZWVLOSOVKZRFBJ-UONOGXRCSA-N 317.393 -0.401 30 20 DBED CC#CCN1CCOC[C@H]1CNC(=O)[C@@H]1COCCN1C(C)=O 1051251805 RTAYCWUIVILAPY-CABCVRRESA-N 323.393 -0.926 30 20 DBED N#CCN1CCOC[C@@H]1CNC(=O)c1noc2c1COCC2 1051254921 OOCIUEUGBCTZAA-JTQLQIEISA-N 306.322 -0.299 30 20 DBED Cn1cc(C(=O)NCC2CC(N=c3cc[nH]c(C#N)n3)C2)nn1 1051915416 DJIKMGJMLYCSDP-UHFFFAOYSA-N 312.337 -0.481 30 20 DBED C[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1CNC(=O)CC(N)=O 1052312313 BQNKGHYOAHYFPA-GXSJLCMTSA-N 317.349 -0.414 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1C 1052501686 CMNKPEFQTLHEGA-VXGBXAGGSA-N 321.381 -0.158 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)CCNC(N)=O)C[C@@H]1C 1052572822 PGDSLDVEDKURGM-STQMWFEESA-N 322.409 -0.085 30 20 DBED N#CCN1CC2(C1)CN(C(=O)c1nc3ncccn3n1)CCO2 1053476606 AVUXVTBTOFOKCX-UHFFFAOYSA-N 313.321 -0.825 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)c3cn(C)c(O)n3)CO2)C1 1053913858 ZKURLUSQZOUNQY-NSHDSACASA-N 304.350 -0.278 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)C(=O)N3CC[C@H](C)C3)CO2)C1 1053977003 LYIVEVOECVMAKF-STQMWFEESA-N 305.378 -0.553 30 20 DBED C[C@@H](C#N)C(=O)N[C@]1(CO)CCCN(C(=O)C2=COCCO2)C1 1056093749 NVGCBHHBTUBEHL-XHDPSFHLSA-N 323.349 -0.496 30 20 DBED COC(=O)NCC(=O)N1CCC[C@H]2CN(C(=O)[C@H](C)C#N)C[C@H]21 1056612997 IUHMPWMDEYGTMR-GRYCIOLGSA-N 322.365 -0.049 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H]2CN(C(=O)CNC(N)=O)C[C@H]21 1056713062 CMSQXJHJQWSPGI-GARJFASQSA-N 307.354 -0.736 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)c1cnc(C)n1C 1057196867 ZEPZNPWLFDVOHB-UHFFFAOYSA-N 324.381 -0.518 30 20 DBED N#Cc1cnc(NC2CCN(C(=O)[C@@H]3COC(=O)N3)CC2)cn1 1057320495 IKLFRPDDMFMHIX-NSHDSACASA-N 316.321 -0.140 30 20 DBED C=C[C@](C)(O)CC(=O)NCCN(CCO)C(=O)c1cncnc1 1057406516 KUPYVDPARSTUDC-HNNXBMFYSA-N 322.365 -0.646 30 20 DBED Cn1cnc(C(=O)NC2CCN(c3nccnc3C#N)CC2)n1 1057866199 ZPZVBNFKNNBWLU-UHFFFAOYSA-N 312.337 -0.124 30 20 DBED C=CCO[C@H](C)C(=O)N(CCO)CCNC(=O)c1n[nH]cc1C 1057921970 UNZRHOKCGQUGLZ-GFCCVEGCSA-N 324.381 -0.140 30 20 DBED N#Cc1c[nH]c(C(=O)NCCN(CCO)C(=O)c2cnon2)c1 1058510378 QQXUDANTZBJGLS-UHFFFAOYSA-N 318.293 -0.866 30 20 DBED CCN1CCCC[C@@H]1C(=O)NCCN(CCO)C(=O)[C@H](C)C#N 1058660859 JUIGGKPZWPRLGH-ZIAGYGMSSA-N 324.425 -0.042 30 20 DBED O=C(C#CC1CC1)NCCN(CCO)C(=O)[C@@H]1C[C@]12CCOC2 1058827951 BBDWQRDRBFDOFI-YOEHRIQHSA-N 320.389 -0.237 30 20 DBED C=CCCO[C@@H](C)C(=O)N1CCOC[C@H]1CNC(=O)COC 1061193021 LONWUAQYKGYURB-QWHCGFSZSA-N 314.382 -0.042 30 20 DBED CC(C)C#CC(=O)N1CCOC[C@@H]1CNC(=O)C1=COCCO1 1061241679 ZZMNDGDFEXSWPB-ZDUSSCGKSA-N 322.361 -0.122 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)CCc1nc[nH]n1 1061484913 XDXPSOIYNAHQNF-MNOVXSKESA-N 320.353 -0.759 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@H]1COCCN1C(=O)c1ncc[nH]1 1061541796 DJLKTGLSXJTVPK-ABAIWWIYSA-N 322.365 -0.306 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H]1COCCN1C(=O)CSC 1061580663 CVVVMYYYMHVWOF-NEPJUHHUSA-N 314.407 -0.269 30 20 DBED C=CCOCC(=O)N1CCOC[C@@H]1CNC(=O)Cc1ncc[nH]1 1061816406 NZTDDXUNQMWGCX-LBPRGKRZSA-N 322.365 -0.502 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)[C@@H]2CCCN2C(N)=O)CCC1 1063523894 KUIQTNJFHUEANM-MNOVXSKESA-N 321.381 -0.156 30 20 DBED Cc1ccc(C#N)c(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)Cn2cnnn2)n1 1064215902 DJCQTNXEONJFIP-MBNYWOFBSA-N 324.348 -0.358 30 20 DBED N#Cc1cnc(NC[C@@H]2CCCN2C(=O)[C@@H]2COC(=O)N2)cn1 1064901420 CJAHHDFVZXBJQF-QWRGUYRKSA-N 316.321 -0.140 30 20 DBED Cc1cnn(CC(=O)N2CCO[C@H](CNC(=O)[C@@H](C)C#N)C2)c1 1064921878 KKOQZVOUVHCXDR-QWHCGFSZSA-N 319.365 -0.305 30 20 DBED C#CCOCCC(=O)N1CCO[C@@H](CNC(=O)[C@H](C)OC)C1 1065150022 JUPFKENESLYOKE-STQMWFEESA-N 312.366 -0.595 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)[C@H](C)CC(N)=O)CCO1 1065419532 BWFAEUVYUVURCD-VXGBXAGGSA-N 311.382 -0.192 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCC[C@@H](NC(=O)CC(N)=O)CC1 1066010904 QJGUJFYVMXVPDL-IAQYHMDHSA-N 311.382 -0.314 30 20 DBED C[C@@H]1CN(C(=O)Cn2cccn2)C[C@@H]1N=c1cc[nH]c(C#N)n1 1067045876 ZJHNBOFRJBWMNR-NEPJUHHUSA-N 311.349 -0.074 30 20 DBED C=C[C@@](C)(O)CC(=O)N(C)CCCN(C)C(=O)c1nnn(C)n1 1067293263 QLDJSXFOILXJHC-CQSZACIVSA-N 324.385 -0.542 30 20 DBED N#Cc1cccnc1N1C[C@H](CNC(=O)c2cnccn2)[C@@H](O)C1 1067645276 LBFKIJRVEDDKPH-JSGCOSHPSA-N 324.344 -0.030 30 20 DBED COCC(=O)N1CC[C@@]2(C1)CN(c1cncc(C#N)n1)CCO2 1068074688 COWMYKUXMKOUBP-HNNXBMFYSA-N 317.349 -0.198 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CN(CCO)C[C@@H]2n2ccnn2)[nH]1 1069908683 KPBVOOUUQRIGBX-OLZOCXBDSA-N 315.337 -0.875 30 20 DBED C#CCCCC(=O)NC1(CNC(=O)CNC(N)=O)CCOCC1 1070090409 CXJYQQLOCDBKRQ-UHFFFAOYSA-N 324.381 -0.760 30 20 DBED C=CCN[C@@H]1CN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C[C@@H]1n1ccnn1 1070254971 GSEUYIPHQFGZJD-BJJPWKGXSA-N 303.366 -0.302 30 20 DBED C=CCOCC(=O)N1Cc2ccc(CNC(=O)C(N)=O)cc2C1 1070327826 SKZOVVVHZZKFPU-UHFFFAOYSA-N 317.345 -0.167 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCCN(C(=O)[C@H]2CCOC2)C1 1070509345 YUTIWFQXNBAOTP-QWHCGFSZSA-N 321.377 -0.730 30 20 DBED C=CCN1C[C@H]2C[C@H]3CN(C(=O)[C@H]4CN(C)C(=O)N4)C[C@@]3(C1)O2 1070836546 ZJESVUOQUHUWSF-VPWBDBDCSA-N 320.393 -0.502 30 20 DBED C=CCCN1C[C@H]2C[C@@H]3CN(C(=O)[C@H]4CNC(=O)N4)C[C@@]3(C1)O2 1070845060 SELMHHRFFCIXFD-BRXULGCHSA-N 320.393 -0.454 30 20 DBED CCO[C@@H]1C[C@@H]1C(=O)N1CCC(=O)NCCN(CC#N)CC1 1070940437 GEMMFEPPWURXME-QWHCGFSZSA-N 308.382 -0.415 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)Cc2cnn(C)c2)CC1 1070944705 IWAVQJFSLWVNIJ-UHFFFAOYSA-N 317.393 -0.754 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)Cc2cnoc2)CC1 1070990210 WEUTUMXPXJUUEH-UHFFFAOYSA-N 304.350 -0.499 30 20 DBED C=CCCN1CC[C@@]2(C1)CN(C(=O)Cn1cnnn1)C[C@@H](C)O2 1071134185 OACFRBNBADEQMM-UKRRQHHQSA-N 320.397 -0.059 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H](NC(=O)C(=O)NCC2CC2)C1 1071229286 MDLONPGIUKHPQN-ZYHUDNBSSA-N 306.366 -0.221 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(C(=O)c2ccon2)C[C@@H]1C 1071703487 NAWYMRHONCTPTJ-CMPLNLGQSA-N 318.333 -0.609 30 20 DBED C#CCCCC(=O)N1C[C@H](C)[C@H](NC(=O)CS(C)(=O)=O)C1 1072000244 TXTLQDJWJWORFO-NWDGAFQWSA-N 314.407 -0.202 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)c2ccnn2CCOC)C1 1073652271 VEBDRHGGKQUJJW-AWEZNQCLSA-N 320.393 -0.017 30 20 DBED C=CCCC(=O)N1CC[C@@H](NC(=O)Cn2cnnn2)[C@H](C)C1 1073692773 QTXHMQVFNUVLQN-VXGBXAGGSA-N 306.370 -0.008 30 20 DBED C#CCCCC(=O)N[C@@H]1CCN(C(=O)Cn2cnnn2)C[C@H]1C 1073918557 KALVYKYGYYLYSJ-CHWSQXEVSA-N 318.381 -0.170 30 20 DBED C=CCCN1CCO[C@@H]2CCN(C(=O)Cn3cnnn3)C[C@H]21 1074159757 JYUPXYDJBKMGJU-CHWSQXEVSA-N 306.370 -0.449 30 20 DBED C[C@@H]1C[C@H](NC(=O)CCNC(N)=O)CCN1C(=O)C#CC1CC1 1074985513 AQUUQBGEPVRXQT-DGCLKSJQSA-N 320.393 -0.046 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)c2ccc3nnc(O)n3c2)C1 1077829783 YXMDKCLEKOXLAG-VXGBXAGGSA-N 317.349 -0.214 30 20 DBED CNC(=O)NCC(=O)N1CCC[C@@H](N(C)C(=O)[C@H](C)C#N)CC1 1079058439 DRCFZXJRJAILNA-VXGBXAGGSA-N 323.397 -0.085 30 20 DBED CCN(C)CCC(=O)N1CCC(CO)(NC(=O)[C@@H](C)C#N)CC1 1080981622 ILDSRDPGRRLHTN-ZDUSSCGKSA-N 324.425 -0.042 30 20 DBED C=C(C)CCC(=O)NC[C@H]1CN(C(=O)c2cnnn2C)C[C@@H]1O 1081531667 VTZXBYCKDXKXLM-AAEUAGOBSA-N 321.381 -0.280 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@H]2CCc3nnn(C)c3C2)[C@H](OC)C1 1082069523 MTXWMFPSGUMKQB-NJZAAPMLSA-N 317.393 -0.631 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CCn2cncc2C1 1083124018 DSUHXOZDKJWDBG-VNQPRFMTSA-N 314.389 -0.010 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)Cn2cnc3c2CCCC3)C1 1083647670 MVNUMSBALRELAY-ZBFHGGJFSA-N 316.405 -0.054 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)c2cnn(C)c2OC)C1 1084002136 GVYNUJNBKPQTDY-MNOVXSKESA-N 314.773 -0.044 30 20 DBED N#Cc1ccc(C(=O)N2C[C@H]3CCN([C@@H]4CCNC4=O)C[C@H]32)[nH]1 1084288227 LWVGARWEKPYFHH-LERXQTSPSA-N 313.361 -0.079 30 20 DBED C#CCCN1CC[C@@H]2CN(C(=O)c3nnc(O)nc3O)[C@@H]2C1 1084487689 VDUVLYIMPQBAGD-NXEZZACHSA-N 303.322 -0.548 30 20 DBED CC#CCN1C[C@H]2CC[C@H]1[C@H]1CN(C(=O)Cn3cnnn3)C[C@H]21 1087335819 QNBDXFLNEBTIOW-KBXIAJHMSA-N 314.393 -0.135 30 20 DBED C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCN1Cc1nnnn1C 1088528637 JFRYKWSKGXCWIR-KOLCDFICSA-N 314.353 -0.197 30 20 DBED C#CCN1CC[C@H](NC(=O)CN2CCCCCCC2=O)[C@@H](O)C1 1090311697 XDEUOTRROJTJLR-GJZGRUSLSA-N 321.421 -0.036 30 20 DBED COc1cc(C(=O)N[C@H]2CCN(CC#N)C[C@H]2O)cc(OC)n1 1090395277 BAIAZNYQPYOSOR-NWDGAFQWSA-N 320.349 -0.213 30 20 DBED C#CCCN1CC[C@H](NC(=O)C(=O)N2CCC(C)CC2)[C@H](O)C1 1090628774 CEDQZNPTSLBMQD-LSDHHAIUSA-N 321.421 -0.180 30 20 DBED C=CCN1CC[C@@H](NC(=O)c2ccc(=O)n(CC)n2)[C@@H](O)C1 1090652533 NIBAWOLHBNMNFX-YPMHNXCESA-N 306.366 -0.386 30 20 DBED C=CCN1CC[C@@H](NC(=O)c2cc(C(N)=O)ccn2)[C@H](O)C1 1090859701 YVMCJMPXSOODQE-DGCLKSJQSA-N 304.350 -0.469 30 20 DBED N#Cc1ccc(N[C@H]2C[C@@H](CNC(=O)CNC(N)=O)C2)nn1 1091313647 UXSQAXPNPZFEEA-WAAGHKOSSA-N 303.326 -0.677 30 20 DBED COCCCC(=O)N[C@@H]1CCN(c2cncc(C#N)n2)C[C@@H]1O 1092137328 LKXYXXAKTDIWHZ-OLZOCXBDSA-N 319.365 -0.169 30 20 DBED N#Cc1cncc(NC2CC(CNC(=O)Cn3nccn3)C2)n1 1092243228 FXIPWMAAZWRQKC-UHFFFAOYSA-N 312.337 -0.053 30 20 DBED N#Cc1nccc(N2C[C@@H]3C(NC(=O)CCCC(N)=O)[C@H]3C2)n1 1093278256 LAUANIOJOGSTSL-UWVGGRQHSA-N 314.349 -0.445 30 20 DBED N#Cc1ccc(NCCNC(=O)Cn2c(O)nnc2O)nc1 1093779631 QXOIOBIALGULTF-UHFFFAOYSA-N 303.282 -0.816 30 20 DBED N#Cc1nc(=NCCNC(=O)[C@@H]2CCCCN2C(N)=O)cc[nH]1 1093856124 MAMQRMUJVYZRKK-JTQLQIEISA-N 317.353 -0.769 30 20 DBED Cc1cc(C(=O)NCc2cn(C3CN(CC#N)C3)nn2)ncn1 1094284348 GERGDGRFEXPVOP-UHFFFAOYSA-N 312.337 -0.313 30 20 DBED Cc1cnccc1C(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1 1094734666 BKZFMRWDRAEYOK-GFCCVEGCSA-N 313.361 -0.072 30 20 DBED CN(C)C(=O)CC(=O)NC1CCN(c2ccnc(C#N)n2)CC1 1095449763 ODNUUBDGTXYPTH-UHFFFAOYSA-N 316.365 -0.088 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1coc(S(N)(=O)=O)c1 1095639542 IWLXWSIQFZULHB-WOPDTQHZSA-N 323.374 -0.105 30 20 DBED N#Cc1ccc(N[C@H](CNC(=O)CNC(N)=O)C2CC2)nc1 1096566137 SFGPIVCELBGNCP-LLVKDONJSA-N 302.338 -0.072 30 20 DBED N#Cc1cnc(N[C@@H](CNC(=O)[C@H]2CCC(=O)N2)C2CC2)cn1 1096598446 OHTPBCTVDBZLKC-NEPJUHHUSA-N 314.349 -0.066 30 20 DBED C[C@H](NC(N)=O)C(=O)N1CC[C@H](Nc2cnc(C#N)cn2)C1 1096930219 BEHFWSUAUGRHQN-IUCAKERBSA-N 303.326 -0.582 30 20 DBED CNC(=O)NC(C)(C)C(=O)NC[C@@H](C)N=c1cc[nH]c(C#N)n1 1097889519 KBLYTLAGUWZDPW-SECBINFHSA-N 319.369 -0.606 30 20 DBED C#CCN(CCO)C1CCN(C(=O)C2CN(C(C)=O)C2)CC1 1098354746 AGSQGRSXYYLJEP-UHFFFAOYSA-N 307.394 -0.617 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)C2CCCCC2)[C@H](O)C1 1099622720 CGOTUEDNLNLFRK-HUUCEWRRSA-N 321.421 -0.133 30 20 DBED Cc1nnc(CN2CC[C@@H](NC(=O)C#CC3CC3)[C@@H](O)C2)o1 1099825801 AOEAGNQHASIOLM-OLZOCXBDSA-N 304.350 -0.157 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)CCc2cnn(C)n2)[C@H](O)C1 1100009143 STHJWLYIFJETCP-UONOGXRCSA-N 307.398 -0.125 30 20 DBED CN(CCNC(=O)[C@@H]1CC(=O)NC(=O)N1)c1ccc(C#N)cn1 1100348266 CRRNQICMWBPZSL-JTQLQIEISA-N 316.321 -0.896 30 20 DBED CNC(=O)CC(=O)NC[C@@H]1CCCN1c1nc(C)cc(C#N)n1 1100816085 NILYYOHYVXWJLQ-LBPRGKRZSA-N 316.365 -0.122 30 20 DBED CC(=O)N[C@H](C)C(=O)NC[C@@H]1CCN(c2cncc(C#N)n2)C1 1100922057 SPERSUCWVQQMQP-PWSUYJOCSA-N 316.365 -0.185 30 20 DBED CS(=O)(=O)CC(=O)NC[C@@H]1CCN(c2ncccc2C#N)C1 1100961296 GXDFZAKVKKSGJE-NSHDSACASA-N 322.390 -0.060 30 20 DBED C#CCCCC(=O)N[C@@H]1CC2(CN(CC(N)=O)C2)n2ccnc21 1101625722 LQGGZDQTVCNKAJ-GFCCVEGCSA-N 315.377 -0.256 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1CNC(=O)C#CC1CC1 1101951431 PVGMKLQWUFCJPB-TZMCWYRMSA-N 302.378 -0.276 30 20 DBED C[C@H](CNC(=O)Cn1cnnn1)CNc1cncc(C#N)n1 1103853601 JZPCRZRJIRFHOZ-VIFPVBQESA-N 301.314 -0.801 30 20 DBED CCOCC(=O)NC[C@@H]1CN(c2ccc(C#N)nn2)CCO1 1104280822 UWTHNPJXEQGUMT-GFCCVEGCSA-N 305.338 -0.294 30 20 DBED CC(C)(O)CC(=O)NC[C@@H]1CN(c2nccnc2C#N)CCO1 1104308726 STQDYADVYCLXJC-LLVKDONJSA-N 319.365 -0.169 30 20 DBED CN(C)CCC(=O)NC[C@H]1CN(c2ccc(C#N)nn2)CCO1 1104346534 NAAYUTPFGIJFLQ-ZDUSSCGKSA-N 318.381 -0.379 30 20 DBED C[C@H](CNc1cncc(C#N)n1)N(C)C(=O)[C@H]1CCC(=O)N1 1104496305 NZQQTRYIGPXYHJ-MWLCHTKSSA-N 302.338 -0.114 30 20 DBED CN1CC[C@H](C(=O)N(C)CCN(C)c2cnc(C#N)cn2)C1=O 1105525019 MEJLEEYSEIAPGO-LBPRGKRZSA-N 316.365 -0.279 30 20 DBED Cc1ccc(C(=O)NC[C@H](O)CN=c2cc[nH]c(C#N)n2)o1 1105735745 YPAQRYUTORHWJK-SNVBAGLBSA-N 301.306 -0.126 30 20 DBED COC[C@H](C)C(=O)NC[C@H](O)CN=c1cc(C)[nH]cc1C#N 1105746095 CHJYWXJRLQPQSP-GXFFZTMASA-N 306.366 -0.145 30 20 DBED Cc1ccc(C(=O)NC[C@H](O)CN=c2cc[nH]c(C#N)n2)nn1 1105826677 JKFOSXYOOGWSAY-SNVBAGLBSA-N 313.321 -0.929 30 20 DBED C[C@@](O)(CC(=O)NC[C@@H](O)CN=c1cc[nH]cc1C#N)C1CC1 1105827187 OKZPQHJWAHCPSB-XJKSGUPXSA-N 318.377 -0.185 30 20 DBED CC[C@H](C(=O)NC[C@@H](O)CNc1nc(C)cc(C#N)n1)N(C)C 1105926340 SQJCJGGCMVLKRS-CHWSQXEVSA-N 320.397 -0.114 30 20 DBED CNC(=O)NCC(=O)N[C@@H](C)CCN=c1cc(C)[nH]cc1C#N 1106616332 WNQQWNUOFOWTSN-JTQLQIEISA-N 318.381 -0.081 30 20 DBED COC(=O)NCC(=O)NC/C=C/CNc1ccc(C#N)nn1 1107057395 AKWZPQYUJGGDEH-NSCUHMNNSA-N 304.310 -0.211 30 20 DBED N#Cc1c[nH]ccc1=NC/C=C\CNC(=O)CCn1cnnn1 1107300117 LSDJXWGPZSIYNE-UPHRSURJSA-N 312.337 -0.464 30 20 DBED C[C@H](CC(N)=O)C(=O)NC/C=C\CN=c1cc[nH]cc1C#N 1107450980 HMJDDSKHOVHRAE-OTDNITJGSA-N 301.350 -0.029 30 20 DBED Cc1nc(CC(=O)N[C@H](C)CN=c2cc[nH]c(C#N)n2)n[nH]1 1107721341 GRRJWRGDRNLGEP-MRVPVSSYSA-N 300.326 -0.644 30 20 DBED C[C@H](CNc1nccnc1C#N)NC(=O)[C@@H]1CCC(=O)N1C 1108047010 OOBRINWRCATQHA-KOLCDFICSA-N 302.338 -0.114 30 20 DBED C#CCOCCC(=O)N[C@@H](C)CNc1ncnc2c1nnn2C 1108531080 ZETPAHWDSDQOHI-JTQLQIEISA-N 317.353 -0.285 30 20 DBED N#CCN1CC(N2C[C@H](NC(=O)CCc3ncc[nH]3)CC2=O)C1 1108539163 WWDQPJNJNWUFLZ-LLVKDONJSA-N 316.365 -0.733 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1CC(=O)N(C2CN([C@H](C)C(N)=O)C2)C1 1108560843 OIELNCNINYDQRO-GHMZBOCLSA-N 322.409 -0.526 30 20 DBED Cc1cc(C#N)nc(N(C)C[C@@H](C)NC(=O)CNC(N)=O)n1 1108816335 NUBXMMKGPSINOM-SECBINFHSA-N 305.342 -0.734 30 20 DBED C[C@@H](CN(C)c1nccnc1C#N)NC(=O)[C@]1(C)CNC(=O)C1 1109155191 JEFWDHSONHHXCM-BONVTDFDSA-N 316.365 -0.185 30 20 DBED C#CCOCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1nnn(C)n1 1109273952 XXGNDKGLNHEXBC-AGIUHOORSA-N 318.381 -0.529 30 20 DBED CN(CCCNc1cnc(C#N)cn1)C(=O)[C@@H]1COC(=O)N1 1109424448 FTPPAVOMSXRNLB-JTQLQIEISA-N 304.310 -0.283 30 20 DBED CS(=O)(=O)CCC(=O)NCC1(N=c2cc[nH]cc2C#N)CC1 1110390917 KVGWVIMHRXBMCE-UHFFFAOYSA-N 322.390 -0.129 30 20 DBED C#CCN(C(=O)CC(N)=O)C1CCN(c2nccnc2F)CC1 1110621079 IMXZANYKKMBSQV-UHFFFAOYSA-N 319.340 -0.078 30 20 DBED N#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCNC(=O)[C@H]1CCCO1 1111508926 LZEPLOUOGLRTSW-YIYPIFLZSA-N 320.393 -0.083 30 20 DBED C#CCO[C@H](C)C(=O)N(CCO)CCNc1nccc(OC)n1 1111511017 TZEMTLCVPFTFHF-GFCCVEGCSA-N 322.365 -0.244 30 20 DBED N#Cc1nccnc1NCCN(CCO)C(=O)[C@@H]1[C@H]2COC[C@H]21 1111536705 YCMDSBSYPXSTSP-PJXYFTJBSA-N 317.349 -0.527 30 20 DBED COCC(=O)N1C[C@@H](NCC(=O)NCC#N)[C@H](C(F)(F)F)C1 1112027362 FNFVHWIHBZCABO-RKDXNWHRSA-N 322.287 -0.749 30 20 DBED CC(C)(O)CC(=O)NC[C@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1112717102 DVWBWQFAUFSBOR-JQWIXIFHSA-N 319.365 -0.577 30 20 DBED C#CCNC(=O)CC(=O)N1CCN(Cc2cc(C)n(C)n2)CC1 1112774244 NIBOEKFQJNJFRL-UHFFFAOYSA-N 317.393 -0.488 30 20 DBED C[C@H](NC(=O)Cn1cnnn1)[C@@H](C)Nc1cncc(C#N)n1 1112904932 FTGQCKCVKKQEHJ-BDAKNGLRSA-N 301.314 -0.660 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)c3cncnc3C)[C@H]2C1 1113942008 GBXZGJSMITZOGY-STQMWFEESA-N 315.377 -0.253 30 20 DBED C=CCOCCN1C[C@@H]2C(NC(=O)CCn3ccnn3)[C@H]2C1 1114186727 KHILYCOMOSGNBK-STQMWFEESA-N 305.382 -0.083 30 20 DBED C=CCOCCN1C[C@@H]2C(NC(=O)Cc3n[nH]c(C)n3)[C@H]2C1 1114245873 NUIPIAPSQDKIMY-RYUDHWBXSA-N 305.382 -0.095 30 20 DBED C=CCCCN1C[C@H]2[C@H](NC(=O)CCS(=O)(=O)NC)[C@H]2C1 1114273425 MOTGNQJDIPADJO-IMRBUKKESA-N 315.439 -0.062 30 20 DBED C[C@@H](C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21)C(F)(F)F 1114703070 LMWBAJJMWWNKEG-WYOJIJJFSA-N 318.299 -0.129 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)C[C@@H]3CCCOC3)[C@H]2C1 1115247256 BHHZLBHUGMRXSN-SZOQZIPDSA-N 319.405 -0.401 30 20 DBED COCC#CC(=O)N1CCN(Cc2nc(COC)no2)CC1 1118758153 IZFOIJVYRHKFGB-UHFFFAOYSA-N 308.338 -0.490 30 20 DBED COC[C@H]1CCCN1C(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1118947485 HQQDFXVDCDBVJW-ZIAGYGMSSA-N 320.393 -0.177 30 20 DBED C[C@@H](CN(C)C(=O)[C@H]1C[C@H]1C(N)=O)Nc1nccnc1C#N 1120707145 WFZXASAAKHYGCP-AEJSXWLSSA-N 302.338 -0.272 30 20 DBED COCCc1nsc(N[C@H](CO)CNC(=O)[C@H](C)C#N)n1 1121214160 XSXWRTRTLALMGU-BDAKNGLRSA-N 313.383 -0.224 30 20 DBED Cc1nc(CC(=O)NC[C@H](CO)Nc2ccc(C#N)nc2)n[nH]1 1121446511 MHYSHCHTHJCYGU-GFCCVEGCSA-N 315.337 -0.489 30 20 DBED COC[C@H](C)CC(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1 1121984977 NNSVMDLCHRHPTG-MNOVXSKESA-N 307.354 -0.668 30 20 DBED Cc1ncc(CC(=O)NC[C@H](CO)Nc2cnc(C#N)cn2)o1 1122192334 XRHHUHDSAZOIOC-LLVKDONJSA-N 316.321 -0.224 30 20 DBED C[C@H]1[C@H](Nc2nccnc2C#N)CCN1C(=O)CCNC(N)=O 1123012280 IGGJDDPCIWDGDK-VHSXEESVSA-N 317.353 -0.192 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)[C@H](C)NC(C)=O 1123081813 HBCOXLINVZJEEZ-LBPRGKRZSA-N 310.398 -0.583 30 20 DBED N#Cc1nc(=NC[C@@H]2CC[C@H](NC(=O)CNC(N)=O)C2)cc[nH]1 1123719451 OZSRCNZGWPKUPM-ZJUUUORDSA-N 317.353 -0.865 30 20 DBED CN(C[C@@H](O)CNc1ccc(C#N)nn1)C(=O)c1ccnn1C 1124150841 YESCPRWZWKKZPJ-NSHDSACASA-N 315.337 -0.373 30 20 DBED COCCOCC(=O)N(C)C[C@H](O)CNc1cnc(C#N)cn1 1124189938 BJMORRAFBCOXSD-GFCCVEGCSA-N 323.353 -0.758 30 20 DBED COC[C@H](C)C(=O)N(C)C[C@H](O)CNc1ccc(C#N)nn1 1124196009 FPDWBXCDQISQNB-CMPLNLGQSA-N 307.354 -0.138 30 20 DBED CN(C)CCCC(=O)N(C)C[C@H](O)CNc1cnc(C#N)cn1 1124683768 PQFFAPLPCPQVAP-CYBMUJFWSA-N 320.397 -0.079 30 20 DBED CN(C[C@@H](O)CN(C)c1ccc(C#N)cn1)C(=O)c1cnon1 1125140384 YWPHCQAVFMXOMG-NSHDSACASA-N 316.321 -0.094 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)c2nccc(C)n2)C1=O 1126479848 ANWAWAYZECXDOQ-GFCCVEGCSA-N 303.366 -0.109 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1ccnn1C(F)F 1128242012 IQADXUCYWMVUJN-VIFPVBQESA-N 313.308 -0.265 30 20 DBED CN(C)C(=O)CC(=O)NCc1cnn2c1CN(CC#N)CC2 1128513434 WXLKEXDLXRNCKD-UHFFFAOYSA-N 304.354 -0.683 30 20 DBED CC(C)(C)n1ccc(C(=O)NCCNCC(=O)NCC#N)n1 1128579040 KCXZDHGXCDGLKE-UHFFFAOYSA-N 306.370 -0.403 30 20 DBED CO[C@@H](C(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1)C1CC1 1128944968 MFUVKQOBKPNXDT-FRRDWIJNSA-N 304.354 -0.432 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(C[C@H](C)O)C[C@@H]1n1ccnn1 1128999399 WVVPVODAOQSBSU-MJBXVCDLSA-N 321.381 -0.960 30 20 DBED C=CCC[C@@H](C)N[C@@H]1CN(C(=O)C(N)=O)C[C@@H]1n1ccnn1 1129985217 SBYNBHLNXNFWPW-UTUOFQBUSA-N 306.370 -0.540 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)C[C@@H]2CCN(C)C2=O)C1=O 1130051488 PVPWZKBQMPQIIE-STQMWFEESA-N 322.409 -0.653 30 20 DBED C=C[C@@](C)(O)CC(=O)N1C[C@@H](NCCO)[C@H](c2cn(C)cn2)C1 1130571484 FYMMYNRFJYBZDU-JGGQBBKZSA-N 322.409 -0.377 30 20 DBED N#CCNC(=O)CNCCNC(=O)CCOCC(F)(F)F 1130682074 ARTNKWZTDLPJAB-UHFFFAOYSA-N 310.276 -0.699 30 20 DBED CC(C)(O)CC(=O)NCc1nc([C@@H]2COCCN2CC#N)n[nH]1 1130842313 GMRVBNKJYUZCPR-JTQLQIEISA-N 322.369 -0.521 30 20 DBED CC#CCN1C[C@H]2C[C@H]3CN(C(=O)COCCOC)C[C@@]3(C1)O2 1131209751 HZUWCBOXAADXKN-ZMSDIMECSA-N 322.405 -0.026 30 20 DBED C#CCNC(=O)CNCCNC(=O)C[C@H]1CC[C@@H](C2CC2)O1 1131585189 HZKLQPQDKXRFKB-KGLIPLIRSA-N 307.394 -0.211 30 20 DBED C[C@H]1CN(C(=O)CSCC#N)C[C@@]2(CCN(CCO)C2)O1 1131638466 MVODWHRCYXVGTH-JSGCOSHPSA-N 313.423 -0.073 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)[C@@]2(C)CNC(=O)C2)C1=O 1131690062 QALGPNIHMSZDHL-IAQYHMDHSA-N 308.382 -0.995 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2cnns2)CC[C@@H]1C 1131835558 YREBDHHLTRLWIC-QWRGUYRKSA-N 321.406 -0.130 30 20 DBED C[C@H]1CC[C@H](NC(=O)c2cnns2)CN1CC(=O)NCC#N 1131838633 KLXYKGLDCBJSDY-UWVGGRQHSA-N 322.394 -0.239 30 20 DBED C[C@H]1CC[C@@H](NC(=O)CS(=O)(=O)N(C)C)CN1CC#N 1132453219 LPZAZZHYXFIYPZ-WDEREUQCSA-N 302.400 -0.630 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)[C@H]1CC[C@H](F)C1 1132953884 IMFGHCUTKRDDTJ-QWRGUYRKSA-N 314.361 -0.158 30 20 DBED Cc1ncc2n1C[C@H](C(=O)NCCNCC(=O)NCC#N)CC2 1133005185 XYIFHWHHCAXPPT-GFCCVEGCSA-N 318.381 -0.901 30 20 DBED C#Cc1cncc(C(=O)NCCNCC(=O)Nc2cnccn2)c1 1133593296 XRXSVPOKZGJHTG-UHFFFAOYSA-N 324.344 -0.189 30 20 DBED C=CCn1cc(C(=O)NCCNCc2noc(CC)n2)nn1 1134980687 IVGZXADYNFKJBQ-UHFFFAOYSA-N 305.342 -0.071 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)c1ccnnc1 1135537164 XROYPWZMINCLAS-RYUDHWBXSA-N 303.366 -0.288 30 20 DBED C[C@H](C[C@@H](C)NC(=O)C(C)(C)NS(C)(=O)=O)NCC#N 1135639234 JQTHZTPOIQLYNH-NXEZZACHSA-N 304.416 -0.289 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)[C@@H](OC)C(C)C)C2 1148210577 REHGKEZIYKIGDS-HNNXBMFYSA-N 321.421 -0.059 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)[C@@]12CCCN(CC1)C2 1149239954 SONRZEBGMILQAD-BBRMVZONSA-N 308.426 -0.131 30 20 DBED C[C@H](CN1CCOCC1)C(=O)NC[C@@H]1CN(CC#N)CCCO1 1150725357 ULJKGFWWCIXVCV-HUUCEWRRSA-N 324.425 -0.315 30 20 DBED COC1CCC(CC(=O)NCCNCC(=O)NCC#N)CC1 1153795860 YCPUCBSJAAPRPV-UHFFFAOYSA-N 310.398 -0.073 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)[C@@]1(C)CCNC(=O)C1 1160897066 MHZMWIVVKZOIFU-LRDDRELGSA-N 322.409 -0.864 30 20 DBED COCC#CCNCC1(CCNC(=O)CN2CCOCC2)CC1 1164160345 WLAZOXAARDNTNQ-UHFFFAOYSA-N 323.437 -0.156 30 20 DBED C#CCNCC1(CCNC(=O)[C@@H]2CCN(C)S2(=O)=O)CC1 1167431483 CFSILZSJRFPKDP-LBPRGKRZSA-N 313.423 -0.470 30 20 DBED C=CCn1cc(C(=O)NCCCNCCOCCOC)nn1 1167838805 MTLKRLRGPDTXNS-UHFFFAOYSA-N 311.386 -0.163 30 20 DBED C#CCNCCCC[C@@H](C)NC(=O)CN(C)S(C)(=O)=O 1171084304 HMRPFONMTKHFNU-GFCCVEGCSA-N 303.428 -0.224 30 20 DBED C#CCN1CCC(C(=O)NCCCNCCn2cncn2)CC1 1176926935 ZGALUAYFLWAXAO-UHFFFAOYSA-N 318.425 -0.281 30 20 DBED C#CCCN[C@H]1CCN(C(=O)CCc2nnc(O)nc2O)[C@H]1C 1179045709 PYSXOAKCLLXKSW-QWRGUYRKSA-N 319.365 -0.182 30 20 DBED C#CCNCCCCCCNC(=O)Cn1nc(C)n(C)c1=O 1180178281 CQGZRUPATVVRDA-UHFFFAOYSA-N 307.398 -0.210 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H](C)c2ccnn2C)C1 1182670515 PQQRXAKGFGILGU-QWHCGFSZSA-N 317.393 -0.537 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H](CC(C)C)OC)C1 1185478974 RMAIVQPECJYUHQ-KGLIPLIRSA-N 309.410 -0.013 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3cnns3)[C@@H]2C1 1186993464 CNLFSUYLDUASBE-WDEREUQCSA-N 319.390 -0.566 30 20 DBED C#CCN[C@@H]1CCN(C(=O)CS(=O)(=O)NC(C)(C)C)C1 1187915108 DQXXLVILSJIMRN-LLVKDONJSA-N 301.412 -0.472 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)[C@H]2CCC(=O)N(C)C2)C1 1188165811 OJCOJQOEOLUNCA-UONOGXRCSA-N 307.394 -0.305 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2cnc(O)n2C)C1 1191708365 QQYSDAFFGONCPK-LLVKDONJSA-N 319.365 -0.979 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)[C@@]2(F)CCOC2)C1 1191949277 PWOIERGAPOGIAZ-SWLSCSKDSA-N 311.357 -0.603 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)CCc2ccoc2)C1 1192164393 NXMOGABTSZXODC-ZIAGYGMSSA-N 321.377 -0.324 30 20 DBED C#CCCCCC(=O)N[C@@H]1CN(CC(=O)NCCC)C[C@H]1O 1192291314 YBDLLSJKHBXEME-ZIAGYGMSSA-N 309.410 -0.133 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)CN(C)C(=O)C2CC2)C1 1193488318 CMHQTVAAWVRGFU-VXGBXAGGSA-N 315.801 -0.231 30 20 DBED CN(CC(=O)NCC#N)[C@H]1CCN(C(=O)c2ccc(O)nc2)C1 1193804482 BTDRKKQAIUAOIP-LBPRGKRZSA-N 317.349 -0.427 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN([C@H](C)C(=O)NC(N)=O)C[C@H]2O)C1 1196020678 OBPPIIFMIPTYQO-GMTAPVOTSA-N 324.381 -0.913 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCC(NCCS(C)(=O)=O)CC1 1200334763 TWNANVGXQBWOEA-CQSZACIVSA-N 318.439 -0.061 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)[C@@]2(C)CCNC2=O)CCCO1 1201396136 SSMOAQSQHNKLCV-CJNGLKHVSA-N 307.394 -0.257 30 20 DBED CN(C)S(=O)(=O)CC(=O)N[C@H]1C[C@H](NCC#N)C12CCC2 1203671831 WCTWTRZIIKYKDB-QWRGUYRKSA-N 314.411 -0.582 30 20 DBED CC[C@@H](C)OCC(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1206878361 JYJOUKAOKMMBMO-JHJVBQTASA-N 310.398 -0.122 30 20 DBED C#CCCCC(=O)N[C@@H]1CN([C@H](C)C(=O)NC(N)=O)C[C@H]1C 1206911614 WFVCNMPGJFZVON-IJLUTSLNSA-N 308.382 -0.190 30 20 DBED CC#CCN[C@H]1CCCN(C(=O)C2CC3(C2)NC(=O)NC3=O)C1 1210060065 AODUBNHJPNQLND-BGMSHATGSA-N 318.377 -0.422 30 20 DBED C=CCOCCN[C@H]1CCCN(C(=O)CN2C(=O)CCC2=O)C1 1211008069 JHQNIKJDKWKSFB-ZDUSSCGKSA-N 323.393 -0.081 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(C[C@H](C)CC)C[C@H]1OC 1212149791 GMCAKSXEKQDTKO-MGPQQGTHSA-N 309.410 -0.013 30 20 DBED C#CCCCCC(=O)N[C@@H]1CN([C@@H]2CCN(C)C2=O)C[C@@H]1O 1219490322 CPWAPCHMLYNCSN-MCIONIFRSA-N 307.394 -0.428 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2ccccn2)C[C@@H]1O 1219602703 AGSOWEXBQNHBPQ-CFVMTHIKSA-N 303.362 -0.219 30 20 DBED C=C[C@@](C)(CC)C(=O)N[C@@H]1CN(CCS(C)(=O)=O)C[C@@H]1O 1220292219 QTEJSNYDTTWPJT-DYEKYZERSA-N 318.439 -0.205 30 20 DBED CCN(CC)C(=O)CCCC(=O)N[C@@H]1CN(CC#N)C[C@@H]1O 1220558021 HSJUKLPODXRZDZ-OLZOCXBDSA-N 310.398 -0.290 30 20 DBED C=CCCCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCCN2C(N)=O)C1 1221172123 MTNFMJLMFYTGCU-AGIUHOORSA-N 310.398 -0.343 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)C[C@H](C)NC(=O)C2CCCC2)C1 1221185432 LOKAITNTKLNNNS-CFVMTHIKSA-N 321.421 -0.134 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CCN(C(=O)c3cc[nH]n3)C[C@@H]21 1222291368 ZWHWXTQGWIAACD-OCCSQVGLSA-N 315.377 -0.305 30 20 DBED N#CCNC(=O)CN1CCC(NC(=O)c2ccc(O)nn2)CC1 1225897220 JBPYHCPPHYRNKT-UHFFFAOYSA-N 318.337 -0.984 30 20 DBED Cn1nnc(CN2CCC(NC(=O)CSCC#N)CC2)n1 1226144883 KFUJERLBMDTBFN-UHFFFAOYSA-N 309.399 -0.453 30 20 DBED Cc1ncn(C)c1C(=O)N(C)C[C@H]1CCN1CC(=O)NCC#N 1235566906 CVUBQSLKPPNAKO-GFCCVEGCSA-N 318.381 -0.485 30 20 DBED C#CCOCCNC(=O)C(=O)Nc1ccc(=O)n(CCOC)c1 1320340814 ZVZLVHXAENZHDE-UHFFFAOYSA-N 321.333 -0.801 30 20 DBED C=CC[C@@H](NC(=O)c1cc(S(N)(=O)=O)c(C)o1)C(=O)O 1321338619 JUJLVXPXOCJJOJ-SSDOTTSWSA-N 302.308 -0.005 30 20 DBED C[C@@H]1C(=O)N(C)CCN1C(=O)C(=O)NCC#Cc1ccccc1 1322988791 SPSSVRBJXYTLBZ-CYBMUJFWSA-N 313.357 -0.157 30 20 DBED CC[C@@H](C)NC(=O)CCNC(=O)C(=O)N1CC[C@](F)(C#N)C1 1323453436 CRFYYOOIWIIZNK-YGRLFVJLSA-N 312.345 -0.128 30 20 DBED N#Cc1ccc(NC(=O)C(=O)NCC(=O)NCC2CC2)nc1 1324503351 TYGYCFSZIGALNT-UHFFFAOYSA-N 301.306 -0.466 30 20 DBED Cc1cc(NC(=O)C(=O)N[C@H](C)C(=O)N(C)C)nn1CCC#N 1324697651 DJFRWBRSFMSFGO-SNVBAGLBSA-N 320.353 -0.363 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)NCCCn2ccnc2)C1 1326057905 NMVUAUKBXQWCNX-AWEZNQCLSA-N 305.338 -0.734 30 20 DBED Cc1ncsc1CNC(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1326401748 OABMARYOHDBVLF-ZDUSSCGKSA-N 308.363 -0.055 30 20 DBED N#CC[C@]1(O)CCN(C(=O)CCN2C(=O)CCNC2=S)C1 1326811899 HGMSCFCEWPKPSC-ZDUSSCGKSA-N 310.379 -0.640 30 20 DBED Cn1nnnc1SCCC(=O)NC1CCN(CC#N)CC1 1326914310 DBOOHXKIABOFDA-UHFFFAOYSA-N 309.399 -0.204 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCO[C@@H](COC(C)C)C1 1329100571 UVOTZWBWPKIDOI-CYBMUJFWSA-N 312.366 -0.595 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N2CCC(N)CC2)CCN1C1CC1 1330568545 WFQXOZWHSYUMII-CYBMUJFWSA-N 305.382 -0.865 30 20 DBED N#CCC1CCN(C(=O)C(=O)NCCCn2cncn2)CC1 1330990182 DTXAIJCLJOMKSB-UHFFFAOYSA-N 304.354 -0.063 30 20 DBED C=CCn1cc(CNC(=O)C(=O)NC[C@]2(C)CCOC2)nn1 1332045177 PIUDIWQKRCMPSF-AWEZNQCLSA-N 307.354 -0.377 30 20 DBED CS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(F)cc1C#N 1340040168 QYPXYOZBBVHPAD-UHFFFAOYSA-N 313.310 -0.203 30 20 DBED C=C(C)Cn1c(CCO)nnc1N1CCN2CCOC[C@@H]2C1 1341877374 CIBCUUSTZRAORL-ZDUSSCGKSA-N 307.398 -0.090 30 20 DBED C=CCN(C(=O)[C@H](O)c1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1344741706 XJEBHWDNBBYWFV-NWDGAFQWSA-N 313.379 -0.345 30 20 DBED N#CCN1CCC(NC(=O)N2CC(N3CC[C@@H](O)C3)C2)CC1 1349522757 NHLWWQKDZUBESP-CQSZACIVSA-N 307.398 -0.565 30 20 DBED C=CCOC[C@@H](NC(=O)[C@H]1COCCN1CC(F)F)C(=O)O 1350770143 ZFHDIQYPLVHSTE-NXEZZACHSA-N 322.308 -0.276 30 20 DBED C=C(Br)CN1CC(NC(=O)CCNC(N)=O)C1 1366951557 QEOBKLCUKFTLKR-UHFFFAOYSA-N 305.176 -0.246 30 20 DBED C[C@@H](CN(C)C(=O)c1cn(C)c(=O)n1C)NC(=O)[C@H](C)C#N 1370531709 BEZXWJOJRZPUSL-ZJUUUORDSA-N 307.354 -0.540 30 20 DBED CC(=O)NCC(=O)N1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H]1C 1370818312 KLXNLBZENBWSFI-JOYOIKCWSA-N 317.349 -0.258 30 20 DBED CC[C@H](CNC(=O)CCCS(C)(=O)=O)NC(=O)[C@@H](C)C#N 1375148674 ZVQKYSKDHDVJAF-WDEREUQCSA-N 317.411 -0.018 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCN(C)C(=O)COCc1nncn1C 1389012340 DMHHGVLTRBRLTF-NSHDSACASA-N 322.369 -0.592 30 20 DBED CN(CCNC(=O)c1cc(C#N)c[nH]1)CC(=O)N1CCOCC1 1390747497 RDMCKTNRLSUHNT-UHFFFAOYSA-N 319.365 -0.593 30 20 DBED CCc1cc(C(=O)NC[C@H](O)CNC(=O)[C@@H](C)C#N)c(C)nn1 1392148401 WLELXTGOAROLEL-JOYOIKCWSA-N 319.365 -0.286 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)CCc2cncs2)C1 1396443652 NIYYDQBTTLTKNJ-JLLWLGSASA-N 322.390 -0.077 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CCN(C(=O)c2nc3ncccn3n2)C1 1396943446 MWDFDGDWYKMUSH-VHSXEESVSA-N 313.321 -0.385 30 20 DBED N#Cc1cccc(CNC[C@@H](O)CNC(=O)[C@@H]2COCCO2)c1 1406192705 QWEBJZXKKMXOFL-CABCVRRESA-N 319.361 -0.460 30 20 DBED C=C(Cl)CNC[C@@H](O)CN(C)C(=O)CS(=O)(=O)CC 1411128496 PLAOQLYTDLLNDX-SNVBAGLBSA-N 312.819 -0.418 30 20 DBED COC(=O)NCC(=O)NC[C@H](O)CNCc1cccc(C#N)c1 1422296401 WFZXGQQXXHKXMI-CYBMUJFWSA-N 320.349 -0.519 30 20 DBED CC(C)[C@@H](O)C(=O)N[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1O 1426524686 XBEIMAWRMHQQGQ-JHJVBQTASA-N 320.349 -0.795 30 20 DBED C=C(Cl)CN[C@@H]1CN(C(=O)CS(=O)(=O)NC)C[C@@H]1C 1440596013 GSUCQBQGLCVZEM-WCBMZHEXSA-N 309.819 -0.275 30 20 DBED Cc1nnc(CNCC2(O)CCN(C(=O)[C@@H](C)C#N)CC2)o1 1440626385 HCOCLAGEZCIISG-JTQLQIEISA-N 307.354 -0.019 30 20 DBED COCCN(CCNC(=O)Cn1nccc1C)C(=O)[C@H](C)C#N 1444962112 SFTOWNUUHRRLGT-GFCCVEGCSA-N 321.381 -0.058 30 20 DBED C[C@H](CNC(=O)[C@@H]1CCC(=O)N1)N(C)C(=O)c1ccc(C#N)[nH]1 1450030173 DSRDDWMAYKHNRU-KOLCDFICSA-N 317.349 -0.258 30 20 DBED CCCC[C@H](CNC(=O)[C@@H](C)C#N)NC(=O)CNC(=O)NC 1450251532 HPAQJMYUZPRTSB-WDEREUQCSA-N 311.386 -0.134 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]1CN(C)C(=O)CN1CCCNC1=O 1452860155 JMNMKUIUZPUYHU-VXGBXAGGSA-N 321.381 -0.379 30 20 DBED C[C@H](C#N)C(=O)NCC1CCN(C(=O)[C@H]2CCC(=O)N2)CC1 1453798338 NMPXPFFJOJADLD-ZYHUDNBSSA-N 306.366 -0.221 30 20 DBED CCN(CCNC(=O)CNC(=O)NC)C(=O)c1c[nH]c(C#N)c1 1455597513 MQNMGOZIBNBCAH-UHFFFAOYSA-N 320.353 -0.606 30 20 DBED Cn1c(=O)[nH]c(NCc2nc(C(C)(C)C)n[nH]2)c(C#N)c1=O 1458434189 ZHMFJOVHHAVCQJ-UHFFFAOYSA-N 303.326 -0.027 30 20 DBED COC(=O)[C@H](CNc1[nH]c(=O)n(C)c(=O)c1C#N)CC1CC1 1458472856 RIZANRQQZGDEOG-VIFPVBQESA-N 306.322 -0.054 30 20 DBED C[C@@H](C#N)C(=O)NCC1CCN(C(=O)Cn2ncnn2)CC1 1492162316 UUYHBSGYZAJAIT-JTQLQIEISA-N 305.342 -0.812 30 20 DBED C[C@H](CNC(=O)c1ccn(CCN(C)C)n1)NC(=O)[C@H](C)C#N 1526630871 YIYINYITSMCOEC-VXGBXAGGSA-N 320.397 -0.161 30 20 DBED C#Cc1ccc(C(=O)N[C@@H](C)[C@H](C)NC(=O)CNC(=O)O)nc1 1573311809 HFWROZCUNXZWJO-UWVGGRQHSA-N 318.333 -0.047 30 20 DBED C#CCOCCNC(=O)N[C@H]1CCCCN(CC(=O)O)C1=O 1588430356 AXKZNXJHJFJULX-NSHDSACASA-N 311.338 -0.599 30 20 DBED C=C[C@H](COC)NC(=O)CNc1ccc(-c2nn[nH]n2)cn1 1588525975 OQQDTPOMNDJEAL-SNVBAGLBSA-N 303.326 -0.009 30 20 DBED C=CCOCCNC(=O)C(=O)N1CC[C@](OC)(C(=O)O)C1 1588868946 HEMKUDOHIYHXKU-CYBMUJFWSA-N 300.311 -0.993 30 20 DBED COc1ncc(Cn2c(N)nc(C#N)c2-c2nn[nH]n2)c(C)n1 1591663021 HXYFRACOUXYEMJ-UHFFFAOYSA-N 312.297 -0.328 30 20 DBED COC1(CS(=O)(=O)N(CC#N)CC(=O)O)CCOCC1 1599092230 HQJUUGKYMBDEBV-UHFFFAOYSA-N 306.340 -0.578 30 20 DBED N#CC[C@]1(O)CCN(S(=O)(=O)c2scnc2C(=O)O)C1 1601063498 XDIBVFGYILIJCL-JTQLQIEISA-N 317.348 -0.120 30 20 DBED C#CC1(O)CCN(C(=O)Nc2nn(C)cc2-c2nn[nH]n2)CC1 1602691061 QXLXAPSGDOCCTI-UHFFFAOYSA-N 316.325 -0.408 30 20 DBED Cn1c(=O)[nH]c(N[C@H](C[C@@H]2CCCOC2)C(=O)O)c(C#N)c1=O 1608075466 DCIFTKNJYKIALW-WCBMZHEXSA-N 322.321 -0.373 30 20 DBED N#Cc1cscc1C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)O 1608223874 LPWQANQRPSAKBN-VIFPVBQESA-N 314.344 -0.056 30 20 DBED N#Cc1ccc(NCC(=O)N2C[C@@H](O)C[C@@H](C(=O)O)C2)nc1 1610629306 QKAWQEQSUXJWTP-MNOVXSKESA-N 304.306 -0.341 30 20 DBED C[C@H](NC(=O)N1CC[C@](O)(CC#N)C1)[C@@H]1CN(C)CCN1C 1649312388 OWEOBVGUIPMGHH-KCQAQPDRSA-N 309.414 -0.319 30 20 DBED COC(=O)CN(C)CCNS(=O)(=O)c1ccc(C#N)nc1 1649764893 SQRMJGRKVQCVNF-UHFFFAOYSA-N 312.351 -0.664 30 20 DBED C#CCNC(=O)CN[C@@H](CNC(=O)c1cc(OC)no1)C1CC1 1752460091 TZTJQKLSZXCFGU-NSHDSACASA-N 320.349 -0.469 30 20 DBED CNS(=O)(=O)CC(=O)NC1C[C@@H]2CC[C@H](C1)N2CC#N 1752701544 BZUSUWHPOLIERL-FGWVZKOKSA-N 300.384 -0.829 30 20 DBED C[C@H](CNC(=O)C#CC1CC1)NCC(=O)N1CCO[C@H](C)C1 1752869721 NIGODFLQTFSANE-CHWSQXEVSA-N 307.394 -0.259 30 20 DBED Cn1cc(C(=O)N[C@H]2CCC[C@H](NCC(=O)NCC#N)C2)cn1 1752961866 JCBLQLHPAZBBQJ-STQMWFEESA-N 318.381 -0.310 30 20 DBED CS(=O)(=O)CCCN1CC(CNC(=O)CSCC#N)C1 1753396931 GOWZUSHLBAECDA-UHFFFAOYSA-N 319.452 -0.274 30 20 DBED COCC#CCNC[C@@H](C)N(C)C(=O)CCS(C)(=O)=O 1753699425 WMHZHCYGCHXADL-GFCCVEGCSA-N 304.412 -0.493 30 20 DBED CC#CCN[C@@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C[C@H]1C 1753761065 KOMRUXDITOYIIM-DGCLKSJQSA-N 305.378 -0.111 30 20 DBED COCC#CCNC[C@@H](O)CNC(=O)Cc1cnccc1C 1753913608 JKMJIMAWFGHDBX-OAHLLOKOSA-N 305.378 -0.351 30 20 DBED CC#CCNC[C@H](O)CNC(=O)c1cc([C@H]2CCCN2C)[nH]n1 1753920405 USPGQHGCXOVBCJ-SWLSCSKDSA-N 319.409 -0.120 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@@H](C)NC(=O)CC1CCN(C)CC1 1754243252 FLGVTLSZKCZELN-KGLIPLIRSA-N 322.453 -0.050 30 20 DBED C[C@@H](CN(C)CC(=O)NCC#N)NC(=O)c1c[nH]nc1C1CC1 1754330263 KDYVXGJMXDTTPB-JTQLQIEISA-N 318.381 -0.023 30 20 DBED C#CCNC(=O)[C@H](C)NCCCN(C)C(=O)CN1CCCC1=O 1754356856 QCWXJGXNVWCCIA-ZDUSSCGKSA-N 322.409 -0.815 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@@](C)(NC(=O)c2ncc[nH]2)C1 1754669701 GFEXSSDJJKZMRR-XHDPSFHLSA-N 303.366 -0.258 30 20 DBED C=C(Cl)CN1CC[C@](O)(CNC(=O)[C@@H]2CCCNC2=O)C1 1754755707 XYJQWQBALOOTCF-RISCZKNCSA-N 315.801 -0.182 30 20 DBED C=C(C)CN1CC[C@@](O)(CNC(=O)[C@@H]2CCCS2(=O)=O)C1 1754762353 OBZZADLADLNBMJ-GXTWGEPZSA-N 316.423 -0.307 30 20 DBED C#CCN1CC(O)(CNC(=O)c2nn(C)c3c2CCCC3)C1 1754775068 GYRROORUWJOLLB-UHFFFAOYSA-N 302.378 -0.291 30 20 DBED CC#CCN[C@H](C)[C@@H]1CCN(C(=O)c2nnc(O)nc2O)C1 1754801450 PQFLQDFNLDZFPA-NXEZZACHSA-N 305.338 -0.254 30 20 DBED C#CCN1CCC[C@](CO)(NC(=O)[C@H]2CN(CC)CCO2)C1 1754861145 KFWDBDDZOXDDPJ-ZBFHGGJFSA-N 309.410 -0.717 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCCN(C(=O)COCC)[C@@H]2C1 1754872187 UTHQEYQYNMVMHR-UONOGXRCSA-N 307.394 -0.305 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)CNC(=O)c1ccoc1C 1754967713 NOUDULYVYYWFSW-CYBMUJFWSA-N 319.361 -0.232 30 20 DBED C#CCN(C)C[C@H]1CCCN1C(=O)CN(C)CC(=O)NC(C)C 1755193731 FPIVPHGNZYZTNP-OAHLLOKOSA-N 322.453 -0.001 30 20 DBED C/C(=C/C(=O)NC1(CCO)CN(CC(=O)NCC#N)C1)C1CC1 1755330669 SNWRDHVMKTYVBE-WQLSENKSSA-N 320.393 -0.465 30 20 DBED COCC#CCNC[C@@H](C1CC1)N(C)C(=O)[C@H]1CCC(=O)N1 1755556389 QFTCBPXNSYAIRO-KGLIPLIRSA-N 307.394 -0.259 30 20 DBED C=CCCOCC(=O)N[C@H](C)C1CN(C(=O)Cn2cnnn2)C1 1756147389 OCARVQQEWMUSGY-LLVKDONJSA-N 322.369 -0.771 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H](CO)CNC(=O)c1ccccn1 1756501732 YZFDFYOAPSWZMX-NEPJUHHUSA-N 305.334 -0.673 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@H](CO)CNC(=O)Cn1cncc1C 1756537795 YBFLQYRTOBTSRS-WFASDCNBSA-N 324.381 -0.888 30 20 DBED C=C[C@](C)(O)CC(=O)N(C)C[C@H](O)CNC(=O)Cc1ccc[nH]1 1756660639 KHVIBGKMVFQWEK-CJNGLKHVSA-N 323.393 -0.180 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(C(=O)[C@H]2CCOC2)C[C@H]1OC 1757128624 DLTURAKNRHAXQD-BFHYXJOUSA-N 324.377 -0.595 30 20 DBED C=CCn1cc(C(=O)NCCc2cn(CC(=O)O)nn2)nn1 1776189232 PKUOMCHKKPPFMT-UHFFFAOYSA-N 305.298 -0.887 30 20 DBED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)C1CCC1)CCO2 1783561175 IUIXLPHYPNTFIQ-INIZCTEOSA-N 320.345 -0.296 30 20 DBED C[C@@H](S)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NNC(=O)C1 1798376617 VHRRFLDZZZWKEL-DOLQZWNJSA-N 324.406 -0.181 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1oncc1C)C2 1800453686 KESNEKFQDFAQJG-PTEHBNRSSA-N 303.318 -0.181 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1CCN(c2ncccn2)CC1 24254171 UBBHKBVJNFFMLK-LBPRGKRZSA-N 318.381 -0.001 30 20 DBED CN1CCO[C@H](C(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1 81283313 WOUREESKTHXYQH-AWEZNQCLSA-N 315.377 -0.068 30 20 DBED CCN(C[C@@H](C)C#N)C(=O)Cn1cc(C(C)=O)c(=O)n(C)c1=O 129473645 ZQXOKJKTLUVDIG-JTQLQIEISA-N 320.349 -0.242 30 20 DBED COCCn1nc(C(=O)Nc2cnn(CC#N)c2)ccc1=O 139588479 HPJRGCSAATVMNT-UHFFFAOYSA-N 302.294 -0.138 30 20 DBED CC(C)/N=C(\NCC(=O)N(C)C)N[C@H]1CCc2ncnn2C1 185515449 QRVWVPNIKWLIGD-NSHDSACASA-N 307.402 -0.375 30 20 DBED C=C(C)C[C@@H](C)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 186149461 CBICYHWCYZCWED-GFCCVEGCSA-N 306.370 -0.054 30 20 DBED C[C@@H](C(=O)NC(=O)NCC(F)(F)F)N1CCO[C@@H](C#N)C1 245951762 ZJAQIAFHVQAOHC-YUMQZZPRSA-N 308.260 -0.013 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCCN(CC)C2CC2)C1=O 263675326 DJKNCSLXNSLKPT-UHFFFAOYSA-N 322.365 -0.436 30 20 DBED N#CCOc1ccc(CN2CCN(S(N)(=O)=O)CC2)cc1 264593932 ZVKACZOGIZSKAD-UHFFFAOYSA-N 310.379 -0.090 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCO[C@H](C)C2)C1=O 271423454 NKXACAHBLSDGEB-NXEZZACHSA-N 309.322 -0.353 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCO[C@H](C)C2)C1=O 271423460 NKXACAHBLSDGEB-ZJUUUORDSA-N 309.322 -0.353 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@H](O)C(C)(C)C2)C1=O 275721823 ABAZSAJLFBGGGT-SNVBAGLBSA-N 323.349 -0.417 30 20 DBED N#Cc1ccc(NCCOCCO)nc1NCCOCCO 278397471 MRUTYPODSHNYJD-UHFFFAOYSA-N 310.354 -0.205 30 20 DBED C=CCCOCCNC(=O)C(=O)NCCCN1CCOCC1 283522550 JCRHRXGSAMMZKE-UHFFFAOYSA-N 313.398 -0.466 30 20 DBED C=C(C)CN1CCC(NC(=O)C(=O)NCC(=O)N(C)CC)CC1 286608979 LFMZLBZHKUHHSD-UHFFFAOYSA-N 324.425 -0.262 30 20 DBED Cn1c(N[C@H]2CCc3[nH]ncc3C2)c(C#N)c(=O)n(C)c1=O 301292097 QPMAQXXYXNWKKM-VIFPVBQESA-N 300.322 -0.352 30 20 DBED CN(C)[C@@H]1CCN(/C(O)=N/C[C@@H]2CCN(S(C)(=O)=O)C2)C1 328763319 ZJNGLOLUQROVQA-NWDGAFQWSA-N 318.443 -0.182 30 20 DBED CN(C)C(=O)Cn1cc(N=C(O)CN2CCOCC2=O)cn1 329843458 KWPGZCMKXAJMGG-UHFFFAOYSA-N 309.326 -0.582 30 20 DBED C[C@H]1[C@@H](C)N(S(=O)(=O)N2CCO[C@H](C#N)C2)CC[S@]1=O 337090675 JZSZNWPHOKWQFH-AXTQLICZSA-N 321.424 -0.703 30 20 DBED CN1CCN(CCNC(=O)C(=O)NCCCCC#N)CC1(C)C 343148822 MSYIPVFEJSSEDF-UHFFFAOYSA-N 323.441 -0.061 30 20 DBED C[C@@H](CN1CCOCC1)N(C)C(=O)C(=O)NCCCCC#N 343152638 WRBLBSMQGVWBGQ-ZDUSSCGKSA-N 310.398 -0.024 30 20 DBED CC(C)[C@@H](CNC(=O)NCC(=O)NCC#N)N1CCOCC1 343890514 FPVBKQFSISCEHF-GFCCVEGCSA-N 311.386 -0.718 30 20 DBED C=CCOC[C@@H]1NC(=O)N([C@H]2CCCS(=O)(=O)C2)C1=O 348602231 MMYJIDAGWGZJOM-UWVGGRQHSA-N 302.352 -0.313 30 20 DBED CC1CC(NS(=O)(=O)CCCS(=O)(=O)N(C)CC#N)C1 349557538 ZKVQYUWTPBVJLT-UHFFFAOYSA-N 323.440 -0.120 30 20 DBED CCC(=O)Nc1ccc(S(=O)(=O)NCC(=O)NCC#N)cc1 352534657 YIVPDTDJRYKTRR-UHFFFAOYSA-N 324.362 -0.047 30 20 DBED C[C@@H](C#N)NC(=O)[C@](C)(O)CN1C(=O)NC2(CCCC2)C1=O 356570476 XRPXJIZRHCOILC-TVQRCGJNSA-N 308.338 -0.370 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@H]2CCCOCC2)C1=O 358331056 LBSMPWVVKVPCHD-QWHCGFSZSA-N 323.393 -0.083 30 20 DBED O=C(NCC#Cc1cccc(F)c1)C(=O)N1C[C@@H]2CNC[C@@H]2C1 419673268 INRQNHPUZCVKAG-OKILXGFUSA-N 315.348 -0.029 30 20 DBED CN(CCC#N)S(=O)(=O)N1CCCC[C@@H](S(C)(=O)=O)C1 443958520 LITVSKRHEGLZCM-LLVKDONJSA-N 323.440 -0.024 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1C[C@@H](C(=O)OC)C[C@@H](O)C1 592196920 CVEUXWDWUNNKPN-GARJFASQSA-N 313.354 -0.758 30 20 DBED CCN([C@@H](C)C#N)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O 595354311 BNQJYDJDTGUFHQ-QMMMGPOBSA-N 300.340 -0.993 30 20 DBED C=CCOC[C@@H](NC(=O)c1nc2ncccn2n1)C(=O)OC 597605760 AMPMTCVMXHJKGV-SECBINFHSA-N 305.294 -0.402 30 20 DBED Cc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H]1COCCN1 599898066 IFFHYASLIHMGJH-GFCCVEGCSA-N 302.334 -0.090 30 20 DBED C[C@H]1CCCN(C(=O)C(=O)N2CCN(CCC#N)CC2)[C@@H]1CN 601585011 VHUYKQWEXJDGJE-UONOGXRCSA-N 321.425 -0.370 30 20 DBED O=C(NCC#CCO)[C@@H]1CCC[C@@H](C(=O)NCC#CCO)C1 670410292 FGESOVKIRQCZNY-ZIAGYGMSSA-N 306.362 -0.983 30 20 DBED C#CCN1CCN(C(=O)[C@@H](NS(C)(=O)=O)C(C)C)CC1 733260825 LRFKWUHJINKFDK-LBPRGKRZSA-N 301.412 -0.662 30 20 DBED C#CCCN1CCC(NC(=O)c2cnc(O)n(C)c2=O)CC1 751592466 YCQACFFLUGPUOD-UHFFFAOYSA-N 304.350 -0.297 30 20 DBED N#CCNC(=O)COC(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 766921601 FTGVHKLSPPGYMZ-NSHDSACASA-N 316.317 -0.387 30 20 DBED O=C(NCC#CCO)[C@@H](O)[C@H](O)c1nc2ccccc2s1 773549573 CZNKIIKTCGJAMF-RYUDHWBXSA-N 306.343 -0.198 30 20 DBED CN1C(=O)CC[C@@H]1C(=O)OCC(=O)N(CCC#N)CCC#N 786181270 RPQDZJBNRAAMIE-LLVKDONJSA-N 306.322 -0.194 30 20 DBED C[C@@](C#N)(CC(=O)O)C(=O)N1CCN(CCn2cncn2)CC1 819821152 CVKSZMBKWKJLQM-AWEZNQCLSA-N 320.353 -0.573 30 20 DBED C[C@](C#N)(CC(=O)O)C(=O)N1CCN(c2nc(N)ns2)CC1 819824634 ZMNNGEWPCOBRKA-GFCCVEGCSA-N 324.366 -0.227 30 20 DBED CC[C@H](C)[C@H](NC(=O)C(=O)Nc1cnn(CC#N)c1)C(=O)O 820429791 HGMZYFVDJSKHCL-WPRPVWTQSA-N 307.310 -0.039 30 20 DBED CN(C)S(=O)(=O)NCC(=O)Nc1cccc(OCC#N)c1 822400835 VREYMRIERZLGKY-UHFFFAOYSA-N 312.351 -0.077 30 20 DBED CN(C)C(=O)CNC(=O)N1CCN(c2ccc(C#N)nc2)CC1 872803681 SEIOWBODBYCUHO-UHFFFAOYSA-N 316.365 -0.127 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N1CCn2ncnc2C1 875596887 VHQKTFITWGHLMX-NSHDSACASA-N 305.338 -0.835 30 20 DBED CCN(CCC#N)S(=O)(=O)N[C@@H](C)[C@H]1CN(C)CCN1C 919991243 UWQQZDRVKUODMT-QWHCGFSZSA-N 317.459 -0.309 30 20 DBED C#CC[C@H](CO)NC(=O)NC[C@H](N1CCOCC1)C(F)(F)F 922462038 JFEWLOKMVQVBLI-MNOVXSKESA-N 323.315 -0.067 30 20 DBED C=CCn1cc(C(=O)N(C)[C@@H]2CCN(C(=O)COC)C2)nn1 936383133 CKIXYDQGLMHLSE-LLVKDONJSA-N 307.354 -0.217 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)Cn3cnnn3)C2)cc1 937655696 DCVVAIUYKXZOKL-AWEZNQCLSA-N 324.344 -0.315 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](N(C)C(=O)c2cn(C)c(=O)cn2)C1 939395159 COQGRHSKYGJRMH-WDEREUQCSA-N 317.349 -0.387 30 20 DBED CC#CCN1CC[C@H](NC(=O)CN2CCOCC2=O)[C@@H](C)C1 942130070 LQYWJJGNHCADOM-KBPBESRZSA-N 307.394 -0.305 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)COC)C[C@H]1OC 946816243 LQIKQTLRWZHJJT-FVCCEPFGSA-N 312.366 -0.434 30 20 DBED CC(=O)N1CC(C(=O)N2CCOC3(CCN(CC#N)CC3)C2)C1 949080571 HRHGMVYRTOCMEQ-UHFFFAOYSA-N 320.393 -0.318 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)[C@]1(C)CNC(=O)C1)CCO2 949147665 MRFLGAQOUWMZQE-INIZCTEOSA-N 319.405 -0.161 30 20 DBED CN(C(=O)c1c[nH]c(C#N)c1)C1CN(C(=O)CS(C)(=O)=O)C1 954103714 VXVBIGDERVUVQX-UHFFFAOYSA-N 324.362 -0.786 30 20 DBED CN1CC[C@@H](CC(=O)N(C)C2CN(C(=O)C#CC3CC3)C2)C1=O 954537337 ADXBEDZESDSBHE-ZDUSSCGKSA-N 317.389 -0.063 30 20 DBED CN(C(=O)[C@@H]1CCNC1=O)C1CN(C(=O)c2c[nH]c(C#N)c2)C1 954962628 VDLJCWSKQOPFQW-GFCCVEGCSA-N 315.333 -0.695 30 20 DBED C#CCN1C[C@H](CNC(=O)c2cnc(C)nc2OC)[C@@H](O)C1 958121801 MEQXPFGMVQUUNY-AAEUAGOBSA-N 304.350 -0.551 30 20 DBED C=CCCN1C[C@H](CNC(=O)c2coc(C(N)=O)c2)[C@@H](O)C1 958281836 QOULVJCZTWCVTG-RYUDHWBXSA-N 307.350 -0.023 30 20 DBED C=CCN1C[C@@H](O)[C@H](CNC(=O)c2ccc(=O)n(CC)n2)C1 958495167 VRILJYHVZWEAHK-DGCLKSJQSA-N 306.366 -0.528 30 20 DBED C=CCCN1C[C@@H](O)[C@@H](CNC(=O)c2cc(C(N)=O)ccn2)C1 958773187 HYBAGGNXXLXYHE-GXTWGEPZSA-N 318.377 -0.221 30 20 DBED C=CCN1C[C@H]2[C@H](NC(=O)c3ccc(S(N)(=O)=O)o3)[C@H]2C1 960777611 SENCUFIQTSFCOX-GDGBQDQQSA-N 311.363 -0.227 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@H](NC(=O)CN2CCCC2)C1 963499721 SMJJPBQKHVQXDT-OLZOCXBDSA-N 309.410 -0.018 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CN(CC(N)=O)CC[C@H]2C)nn1 968404438 FBUMOMQEXGLFSB-GHMZBOCLSA-N 306.370 -0.610 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2CN(CC(N)=O)CC[C@H]2C)nc1 968548711 IOWVDFLPOZVGLZ-RISCZKNCSA-N 300.362 -0.012 30 20 DBED C=C(Cl)CN[C@@H]1CCN(C(=O)CN2CC(=O)N(C)C2=O)C1 970469457 DMLVVFVJNCOICR-SNVBAGLBSA-N 314.773 -0.177 30 20 DBED N#Cc1c[nH]c(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@H]3CC34CC4)C2)c1 970918464 XPYFDSLJJFOHSL-RTXFEEFZSA-N 314.345 -0.012 30 20 DBED N#Cc1cc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3COC(=O)N3)C2)c[nH]1 974049074 FVMIQUSFVJXPNJ-NGZCFLSTSA-N 317.305 -0.628 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)c3cc(=O)n(C)o3)[C@H]2C1 976423544 UWAGEKJMKXJHET-XBWDGYHZSA-N 304.306 -0.675 30 20 DBED CC1(C)CN(CC#N)C[C@H]1NC(=O)[C@@H]1CCS(=O)(=O)N1 977608143 YNGZLGGVNNUQTK-VHSXEESVSA-N 300.384 -0.972 30 20 DBED CN(C[C@H]1CCN(C(=O)C#CC2CC2)C1)C(=O)[C@H]1C[C@H]1C(N)=O 987983472 HPNXGDOTSUWPMW-MCIONIFRSA-N 317.389 -0.172 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](NC(=O)c2cc(=O)n(C)cn2)[C@H]1C 988738241 FDXITXUCAQPJFI-MXWKQRLJSA-N 317.349 -0.341 30 20 DBED C#CCN[C@@H]1C[C@@H](C)N(C(=O)CN2C(=O)CC(C)(C)C2=O)C1 988843752 LBGQAQOOCQZJSC-VXGBXAGGSA-N 305.378 -0.016 30 20 DBED C#Cc1cncc(C(=O)N2CC(NC(=O)Cn3cccn3)C2)c1 990238731 UIWZQTAIUOHZPN-UHFFFAOYSA-N 309.329 -0.100 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CN(C(=O)Cc2nc[nH]n2)C1 992028396 BKLYYEORRQGMCL-FZMZJTMJSA-N 319.365 -0.345 30 20 DBED C[C@H](C#N)C(=O)N1CC(NC(=O)C[C@H]2CCS(=O)(=O)C2)C1 995060453 INLMWMLBCUEZNA-NXEZZACHSA-N 313.379 -0.702 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC(NC(=O)c2[nH]nnc2C)C1 997348347 XJTWAPRBSASIRY-LBPRGKRZSA-N 316.365 -0.849 30 20 DBED O=C1NCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C#CC1CC1 1004925877 CRCNZOXVXFMTRQ-RQJABVFESA-N 315.373 -0.216 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCN([C@H]3CCNC3=O)C2)nn1 1015811459 GWJIZEDSCHBSSE-JQWIXIFHSA-N 304.354 -0.843 30 20 DBED C#CCCN1CCC2(CC1)C[C@H]2NC(=O)Cn1ncn(C)c1=O 1016696950 BOQCMUJLSFUCLO-CYBMUJFWSA-N 317.393 -0.424 30 20 DBED C#CCCN1C[C@@H]2CC[C@H](C1)N2C(=O)c1cn(CC(N)=O)nn1 1018303856 PLGHPGSTFPLHAW-TXEJJXNPSA-N 316.365 -0.925 30 20 DBED C#Cc1cncc(C(=O)N[C@H]2C[C@H](NCc3nnn(C)n3)C2)c1 1020567782 SNNXVQLGANHNRK-JOCQHMNTSA-N 311.349 -0.363 30 20 DBED C#CCN1CCCC[C@H]1CNC(=O)c1cc(=O)n2[nH]cnc2n1 1024759838 LIQURPOONVUSIR-NSHDSACASA-N 314.349 -0.365 30 20 DBED N#CCN[C@@H]1CC[C@@H]2CN(C(=O)Cn3ccc(O)nc3=O)C[C@H]21 1026307314 VYNNMVJWFUREPP-IJLUTSLNSA-N 317.349 -0.701 30 20 DBED C=CCN1CC[C@H](N2CCC[C@@H]2CNC(=O)c2cnn[nH]2)C1=O 1027991432 CLBSRJCLVOCIPT-YPMHNXCESA-N 318.381 -0.214 30 20 DBED N#Cc1cc(C(=O)NCC2CN([C@@H]3CCCNC3=O)C2)c[nH]1 1031622721 FGHRVROXGVLLAD-CYBMUJFWSA-N 301.350 -0.173 30 20 DBED C=CCn1cc(C(=O)NCC2CN(CC(=O)N3CCC3)C2)nn1 1032035462 ZYAAGJXYQPOZCL-UHFFFAOYSA-N 318.381 -0.642 30 20 DBED CCN(C(=O)c1cn(C)c(=O)nc1O)[C@H]1CCN(CC#N)C1 1034038858 XGSQXWUDUXOXCU-JTQLQIEISA-N 305.338 -0.454 30 20 DBED CC1(C)NC(=O)N(CC(=O)N[C@H]2CC[C@H](NCC#N)CC2)C1=O 1034788298 VCZMBNBCOSGXKQ-XYPYZODXSA-N 321.381 -0.143 30 20 DBED N#CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)c1cccc(-n2cncn2)n1 1037642347 VIWLSKBAKKKIJH-OSMZGAPFSA-N 309.333 -0.012 30 20 DBED C=CCN1CC[C@H](N2CC[C@H]2CNC(=O)c2cnnn2C)C1=O 1038214110 KKQCTCPWAWZABV-RYUDHWBXSA-N 318.381 -0.594 30 20 DBED N#CCN1CC[C@H](C2CCN(C(=O)Cn3cnnn3)CC2)C1 1039105860 ZQCOLRBONZYOME-ZDUSSCGKSA-N 303.370 -0.243 30 20 DBED C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CN1CCNC(=O)C1 1039416153 LEKVRTMKYJHNHX-KGLIPLIRSA-N 306.410 -0.331 30 20 DBED CC(C)C#CC(=O)N1CC[C@@](O)(CNC(=O)Cn2ccnc2)C1 1040213978 DOZAQCRFAJEDFA-MRXNPFEDSA-N 318.377 -0.378 30 20 DBED N#CCSCC(=O)NCC1(O)CN(C(=O)CCC(F)F)C1 1041574497 FITURZICPYYELZ-UHFFFAOYSA-N 321.349 -0.022 30 20 DBED N#Cc1ccc(N[C@H]2C[C@H]3CC[C@H]2N(C(=O)C(N)=O)C3)nn1 1041678707 KNKBZWLEOBXCON-DVVUODLYSA-N 300.322 -0.375 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)[C@H]2C[C@@H]2C(=O)OC)C1 1041985663 WJQGQJQWMYZNMU-RYUDHWBXSA-N 322.361 -0.712 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)c2c(C)cnn2C)C1 1042802978 PZULUZNOVGJOIX-UHFFFAOYSA-N 318.377 -0.165 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(O)CN(C(=O)c2cnc(C)[nH]2)C1 1042806565 HZJZMRCNHVOQIA-AWEZNQCLSA-N 322.365 -0.652 30 20 DBED C[C@H]1OCCC[C@@H]1C(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042959007 SKHXUVJPEXZPJV-OCCSQVGLSA-N 320.389 -0.096 30 20 DBED C[C@H]1CCN(CC(=O)N2CC(O)(CNC(=O)C#CC3CC3)C2)C1 1042963712 SROACKSHLIPVQB-ZDUSSCGKSA-N 319.405 -0.569 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)[C@H]2OCCO[C@H]2C)C1 1043651046 FIFYYTZNRVEAPG-JSGCOSHPSA-N 324.377 -0.861 30 20 DBED O=C(NCC1(O)CN(C(=O)C#CC2CC2)C1)c1csnn1 1044099063 YSCWJROPEYVARV-UHFFFAOYSA-N 306.347 -0.745 30 20 DBED N#Cc1cncc(N2C[C@H](O)[C@H](NC(=O)c3ncccn3)C2)n1 1044130080 STRHIXSNDOTYKG-MNOVXSKESA-N 311.305 -0.882 30 20 DBED CC#CCCCC(=O)N1CC(O)(CNC(=O)c2ccncn2)C1 1045173618 CIDJAUIQRIGXJB-UHFFFAOYSA-N 316.361 -0.027 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)c2conc2C)C1 1045532267 VZPIKLOBERBPGT-UHFFFAOYSA-N 309.322 -0.511 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)[C@@]23CCCN(CC2)C3)C1 1045545942 FCMGTURTCJVTQY-DOMZBBRYSA-N 320.393 -0.679 30 20 DBED C#CCCN1[C@H]2CC[C@H]1CN(C(=O)Cn1ncn(C)c1=O)CC2 1045804996 OCWCELMCWNGMHX-KBPBESRZSA-N 317.393 -0.330 30 20 DBED C[C@@]1(NC(=O)[C@@H]2CCc3nnc(O)n3C2)CCN(CC#N)C1 1046430876 GRWVDURXSKXWFQ-QMTHXVAHSA-N 304.354 -0.350 30 20 DBED C=C[C@H](C)[C@@H](C)C(=O)N1CC(O)(CNC(=O)Cn2cncn2)C1 1046874609 APMDCGBKFIACBL-NWDGAFQWSA-N 321.381 -0.574 30 20 DBED C=CCN1C[C@H]2C[C@H](NC(=O)CN3CCNC(=O)C3)C[C@H]1C2 1047121109 DRSWTGZDSYSRRS-MELADBBJSA-N 306.410 -0.427 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cc(=O)c(OC)co2)C1 1047458485 POJPOLFMOJXGCL-AAEUAGOBSA-N 320.345 -0.211 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCCN(C)C2=O)C1 1047593602 OOTZKUCSXFOSEU-IHRRRGAJSA-N 307.394 -0.618 30 20 DBED CN1CC(=O)N(CC(=O)N2CCC[C@H]3[C@@H]2CCN3CC#N)C1=O 1049887772 WVYXFKVFGHBKMZ-RYUDHWBXSA-N 319.365 -0.531 30 20 DBED C[C@@H]1[C@@H](NC(=O)[C@@H]2COC(=O)N2)CCN1c1nccnc1C#N 1050215346 PTXYBUROZWWEAX-YWVKMMECSA-N 316.321 -0.460 30 20 DBED C[C@H](NC(=O)C(N)=O)[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 1050485041 VRUXZETZQCUORX-IUCAKERBSA-N 303.322 -0.662 30 20 DBED C#CCCCC(=O)N1CC[C@H]([C@@H](C)NC(=O)Cn2cnnn2)C1 1050580915 MLUCNUMZCFMACP-OLZOCXBDSA-N 318.381 -0.170 30 20 DBED CNC(=O)CN1CCOC[C@@H]1CNC(=O)c1ccc(C#N)[nH]1 1050872130 KPMNQFHHKRLDIW-NSHDSACASA-N 305.338 -0.937 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1 1051113607 YTIHAKKMIGTLDJ-MJBXVCDLSA-N 323.393 -0.928 30 20 DBED C=CCN1CCOC[C@H]1CNC(=O)[C@@H]1CN(C(C)=O)CCO1 1051230881 MJSXJRBJXLCPDE-KGLIPLIRSA-N 311.382 -0.763 30 20 DBED N#Cc1ccc(NC2CC(CNC(=O)[C@@H]3CNC(=O)N3)C2)nn1 1052073054 SNRWLMCTRRLNQG-RFBVYIQQSA-N 315.337 -0.664 30 20 DBED C#CCN1CC2(C1)CN(C(=O)[C@@]1(C)CCC(=O)NC1)CCO2 1053389146 IYLLEAYIAPOFOZ-HNNXBMFYSA-N 305.378 -0.551 30 20 DBED N#CCN1CC2(C1)CN(C(=O)c1cc(C(N)=O)ccn1)CCO2 1053558933 SXFOJDOJQBDQLV-UHFFFAOYSA-N 315.333 -0.769 30 20 DBED C=C(Cl)CN[C@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@@H]1C 1054820951 WPIUJCISYVBCFX-ONGXEEELSA-N 313.789 -0.229 30 20 DBED N#CCSCC(=O)N1CCC[C@H]2CN(C(=O)CC(N)=O)C[C@H]21 1056606036 HXDPGZPAIFDEKT-WDEREUQCSA-N 324.406 -0.432 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)[C@H]1CC(=O)N(C)C1 1057174236 WFTDOLDWXVXPPD-LBPRGKRZSA-N 311.382 -0.632 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)Cc1cnc[nH]1 1057447153 PNYWMHOUFJPGKZ-UHFFFAOYSA-N 306.366 -0.307 30 20 DBED CN(C)C1(C(=O)NCCN(CCO)C(=O)C#CC2CC2)CCC1 1057535191 LMVDKOIGBXPVQI-UHFFFAOYSA-N 321.421 -0.179 30 20 DBED O=C(C#CC1CC1)NCCN(CCO)C(=O)CCc1ccon1 1058090179 LMFPFTWBVOUJDX-UHFFFAOYSA-N 319.361 -0.042 30 20 DBED Cn1ncc(C(=O)N[C@@H]2CCN(c3cncc(C#N)n3)C2)c1N 1058344095 QUGKETJWZGOVGP-SECBINFHSA-N 312.337 -0.327 30 20 DBED C=C[C@@H](CC)CC(=O)N(CCO)CCNC(=O)c1nc[nH]n1 1058468998 WPOBVYPFQJOZNX-NSHDSACASA-N 309.370 -0.042 30 20 DBED O=C(C#CC1CC1)NCCN(CCO)C(=O)Cc1cnoc1 1058482019 MCXCPHJDERYLDD-UHFFFAOYSA-N 305.334 -0.432 30 20 DBED N#Cc1ccc(N2CC[C@H](NC(=O)[C@H]3CNC(=O)N3)C2)cn1 1058531699 WISFLBNHIZALFW-CMPLNLGQSA-N 300.322 -0.670 30 20 DBED CCn1nc(C)cc1C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N 1058934623 FGYPLRFVICRSAV-NSHDSACASA-N 321.381 -0.078 30 20 DBED Cc1cc(=NC[C@@H]2CCCN(C(=O)C(N)=O)C2)c(C#N)c[nH]1 1060079862 FWEXXEWHPJWNBZ-NSHDSACASA-N 301.350 -0.181 30 20 DBED CC(=O)N1CC(C(=O)NCC[C@H]2CCN(C(=O)[C@H](C)C#N)C2)C1 1060288552 BCYZGEWSNXGGLY-YPMHNXCESA-N 320.393 -0.021 30 20 DBED N#Cc1nccnc1N[C@@H]1CC[C@H]2CN(C(=O)C(N)=O)C[C@H]21 1060554603 ZGTCVSRDMAJUOR-IVZWLZJFSA-N 300.322 -0.518 30 20 DBED N#Cc1cncc(NC[C@@H]2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)n1 1060991890 LMXYXTQDGHMQPB-WCQGTBRESA-N 314.349 -0.270 30 20 DBED C=CCOCC(=O)NC[C@@H]1COCCN1C(=O)c1cn[nH]c1 1061421820 VLHZNQGJBSXHDM-GFCCVEGCSA-N 308.338 -0.431 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1COCCN1C(=O)CC(=O)N(C)C 1061568671 NSYLBHOVBUIVQQ-CYBMUJFWSA-N 323.393 -0.532 30 20 DBED C=CCOCC(=O)N1CCOC[C@@H]1CNC(=O)C#CC1CC1 1061569721 KKIQPUIVCOQERE-AWEZNQCLSA-N 306.362 -0.054 30 20 DBED Cc1cc(C(=O)N2CCOC[C@H]2CNC(=O)[C@H](C)C#N)cnn1 1061846173 BOIOBLHEIOCRSD-ZWNOBZJWSA-N 317.349 -0.098 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(NC(=O)Cn2nccn2)CCC1 1063043396 PBQWEHPGFBKLJZ-LBPRGKRZSA-N 319.365 -0.529 30 20 DBED N#Cc1nccc(N2[C@H]3CCC[C@H]2CN(C(=O)C(N)=O)C3)n1 1064535373 SBWGYACEVDTBBP-UWVGGRQHSA-N 300.322 -0.597 30 20 DBED C[C@@]1(NC(=O)[C@@H]2CNC(=O)N2)CCN(c2cnc(C#N)cn2)C1 1065324866 FZPFXYRZLDAMAV-IINYFYTJSA-N 315.337 -0.885 30 20 DBED C=CCCCC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CCNC2=O)CCO1 1065420279 HSXZXRBZABDWRE-CHWSQXEVSA-N 323.393 -0.178 30 20 DBED CN(C(=O)c1cnn[nH]1)[C@H]1CN(c2ccc(C#N)cn2)C[C@@H]1O 1065635149 HQBHJFZJWMAFRA-RYUDHWBXSA-N 313.321 -0.607 30 20 DBED N#Cc1nccnc1NC[C@H]1CN(C(=O)c2cnon2)CCO1 1066639801 LXRVAUMCNKSLHS-VIFPVBQESA-N 315.293 -0.316 30 20 DBED C[C@H]1CN(C(=O)c2ncn(C)n2)C[C@@H]1N=c1cc[nH]c(C#N)n1 1067077567 JISQOQDAZMGOTL-UWVGGRQHSA-N 312.337 -0.529 30 20 DBED C=CCCC(=O)NCC1(NC(=O)Cn2ncnn2)CCOCC1 1070125095 MRFJQOHACFTAPG-UHFFFAOYSA-N 322.369 -0.579 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1C[C@H](n2ccnn2)[C@H](NCC)C1 1070211474 JJNSHCKEKMQOLV-ILXRZTDVSA-N 316.409 -0.263 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)[C@H]2CCNC2=O)CCOCC1 1070233914 IEXJDQSUHAPZOO-QWRGUYRKSA-N 322.365 -0.936 30 20 DBED Cc1[nH]nc(C(=O)N2C[C@@H]3C[C@@H]4CN(CC#N)C[C@]3(C2)O4)c1O 1070790313 VRZJUSYIOIZSBG-FIXISWKDSA-N 317.349 -0.137 30 20 DBED C=CCCC(=O)N1C[C@@H](NC(=O)CCn2cnnn2)[C@H](C)C1 1071790806 LODTUFCWNSNVMT-VXGBXAGGSA-N 306.370 -0.008 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)CC(=O)N(C)C 1072042576 MPOCKDHODPYHOD-DGCLKSJQSA-N 305.378 -0.159 30 20 DBED C=CCOCC(=O)N[C@H]1CN(C(=O)CNC(=O)NC)C[C@@H]1C 1072268535 OSJHGQFTBPZAND-QWRGUYRKSA-N 312.370 -0.919 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(C(=O)CC(N)=O)CC1(C)C 1073347594 UCIRRMVWJFBHBB-NSHDSACASA-N 311.382 -0.192 30 20 DBED C#CCCN1CCCO[C@H](CNC(=O)c2cc(=O)n(C)o2)C1 1073585441 IVFSVKMZRCAYNK-GFCCVEGCSA-N 307.350 -0.178 30 20 DBED C#CCCCC(=O)N1CC[C@H](NC(=O)CNC(N)=O)[C@H](C)C1 1073704539 JFUGATCWQBVFSU-NEPJUHHUSA-N 308.382 -0.189 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(C(=O)Cn2cncn2)C[C@H]1C 1073817246 LZHPEMVVXUCZIF-OLZOCXBDSA-N 321.381 -0.166 30 20 DBED Cn1cccc(C(=O)NC[C@@H]2CN(CC#N)CCCO2)c1=O 1073859982 YOGYZIQKAXLTCC-GFCCVEGCSA-N 304.350 -0.270 30 20 DBED C=CCN1CCO[C@H]2CCN(C(=O)C3CC(=O)NC(=O)C3)C[C@H]21 1074357355 ZCWNPMGRDGJGLV-OLZOCXBDSA-N 321.377 -0.473 30 20 DBED C=CCCC(=O)NCC[C@H](C)NC(=O)[C@H](C)NS(C)(=O)=O 1075885775 NPTZXVXHIJOUKT-QWRGUYRKSA-N 319.427 -0.099 30 20 DBED C=CCOCC(=O)NCC[C@H](C)NC(=O)[C@@H]1CCN(C)C1=O 1075922083 DBIWQZLEHBUIEC-RYUDHWBXSA-N 311.382 -0.322 30 20 DBED C=C(C)CCN1C[C@@H]2CCN(C(=O)CN3CCNC(=O)C3)[C@@H]2C1 1076128231 KHCVPOITWHKOLA-LSDHHAIUSA-N 320.437 -0.083 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H](C)CCNC(=O)CC(=O)N(C)C 1076568328 DGOAVHRBRCJLGS-XHDPSFHLSA-N 313.398 -0.197 30 20 DBED C=CCCC(=O)N[C@@H](C)CCNC(=O)CS(=O)(=O)NC 1076624103 ALYNBOZFESVYFL-JTQLQIEISA-N 305.400 -0.487 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)Cc2nnn(C(C)(C)C)n2)C1 1077050586 TYKDXTDBNHRPBS-VXGBXAGGSA-N 322.413 -0.292 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)c2nc3nccc(C)n3n2)C1 1078121291 ZXVMSBKGPGNOGX-VXGBXAGGSA-N 316.365 -0.216 30 20 DBED CC(C)(F)C(=O)N1C[C@@H](O)[C@@H](CNC(=O)CSCC#N)C1 1081286789 PDMBJTZPUGKJSN-VHSXEESVSA-N 317.386 -0.073 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)c2cnn(C)c2N)C[C@H]1O 1081336243 WCRFXMXILXAWLY-CMPLNLGQSA-N 321.381 -0.482 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)CCc2cnn[nH]2)C[C@H]1O 1081338809 WLRNNGDWPMROAM-WCQYABFASA-N 321.381 -0.361 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)c2ncccn2)C[C@H]1O 1081438388 BWIZVHSRNISANV-CHWSQXEVSA-N 316.361 -0.171 30 20 DBED COc1nc(C)ncc1C(=O)N[C@@H]1CN(CC#N)C[C@H]1OC 1081773073 OBASSWCQKPTKCM-VXGBXAGGSA-N 305.338 -0.254 30 20 DBED C#CCCN1C[C@@H](NC(=O)[C@H]2CCS(=O)(=O)C2)[C@H](OC)C1 1081914548 UGCACIJQGGUBFZ-YNEHKIRRSA-N 314.407 -0.740 30 20 DBED C=CCN1C[C@@H](NC(=O)c2ccc3nnnn3c2)[C@H](OC)C1 1081940417 LRCPVLAKINRAPE-VXGBXAGGSA-N 302.338 -0.261 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2c[nH]c3ccccc3c2=O)C1 1083597853 RCQYESCOKAHKGW-CABCVRRESA-N 311.341 -0.064 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2ccc(-n3cnnc3)cc2)C1 1083858591 JOTWJQDEMORBKO-KGLIPLIRSA-N 312.333 -0.434 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)Cc2ccc(C(N)=O)cc2)C1 1084106178 MLHQURCHTOGAGA-KGLIPLIRSA-N 301.346 -0.878 30 20 DBED C#CCCN1CC[C@H](NC(=O)CN2CC(=O)NC2=O)[C@H]1CC 1087764397 OPPKGXHUBBQTBL-NWDGAFQWSA-N 306.366 -0.469 30 20 DBED CS(=O)(=O)CC(=O)N1C[C@H]2CC[C@H]1[C@H]1CN(CC#N)C[C@H]21 1089780422 DEUWJOCQKQZXKQ-NDBYEHHHSA-N 311.407 -0.277 30 20 DBED C#CCCN1CC[C@H](NC(=O)Cn2cc(C3CC3)nn2)[C@@H](O)C1 1090318196 GISTUDQSFNBEQT-ZFWWWQNUSA-N 317.393 -0.270 30 20 DBED Cc1cc(C(=O)N[C@@H]2CCN(CC#N)C[C@H]2O)ncc1C(N)=O 1090574370 RVXIIDHUSZWDBB-DGCLKSJQSA-N 317.349 -0.823 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1OC 1090869699 XYRXUXZXNMFZME-CHWSQXEVSA-N 317.349 -0.129 30 20 DBED COCCCC(=O)N[C@H]1CCN(c2ccnc(C#N)n2)C[C@H]1O 1092138302 UBOVDELSIOPOED-NWDGAFQWSA-N 319.365 -0.169 30 20 DBED C=CCNC1CCC2(CC1)CN(C(=O)[C@@H]1CNC(=O)N1)CCO2 1093403859 IVPIRBUDCNCBAJ-UYJPIKCFSA-N 322.409 -0.016 30 20 DBED CCc1nc(C#N)cc(NCCNC(=O)[C@H]2CN(C)CCO2)n1 1093542889 RTBJSKBJKCPYCW-GFCCVEGCSA-N 318.381 -0.231 30 20 DBED N#Cc1cnc(NCCNC(=O)CN2CCOCC2)c(F)c1 1093552618 FEANANYNVIIJDO-UHFFFAOYSA-N 307.329 -0.047 30 20 DBED CC(=O)N1CCOC[C@H]1C(=O)NCCN=c1cc[nH]cc1C#N 1093653011 BFTKHVKZHOOVJE-AWEZNQCLSA-N 317.349 -0.849 30 20 DBED CO[C@H](C(=O)NCCNc1nccnc1C#N)[C@H]1CCOC1 1094011725 PYVGBMSQZNTLLC-JQWIXIFHSA-N 305.338 -0.072 30 20 DBED N#Cc1cncc(NCCCNC(=O)[C@H]2CC[C@H]2C(N)=O)n1 1094703036 HZWPQGURLWPYTB-MNOVXSKESA-N 302.338 -0.222 30 20 DBED N#CCN1CC(N2C[C@H](NC(=O)c3ccccc3O)CC2=O)C1 1094703626 CXYWHKSAGYEUHL-LLVKDONJSA-N 314.345 -0.069 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)c3cc(CC)[nH]n3)CC2=O)C1 1094705490 LVJVABUVNJAEGJ-GFCCVEGCSA-N 315.377 -0.380 30 20 DBED C=C(C)CN1CC(N2C[C@H](NC(=O)[C@H]3CCC(=O)N3)CC2=O)C1 1094717262 IIJTXDRIVROGPN-DGCLKSJQSA-N 320.393 -0.758 30 20 DBED CN(CCCNC(=O)Cn1cnnc1O)c1ccnc(C#N)n1 1095541300 QJIDNOLQEUGZHD-UHFFFAOYSA-N 316.325 -0.712 30 20 DBED N#Cc1c[nH]ccc1=N[C@H](CNC(=O)Cn1cnnn1)C1CC1 1096568260 VTHILQDWPOFAFH-CYBMUJFWSA-N 312.337 -0.631 30 20 DBED Cc1ccc(C#N)c(N[C@H]2C[C@@H](NC(=O)CNC(N)=O)C2)n1 1097146091 OBVHJMOSHCINDG-PHIMTYICSA-N 302.338 -0.011 30 20 DBED C[C@H](NC(=O)CC(N)=O)[C@@H]1CCCN(c2ccnc(C#N)n2)C1 1097515383 NQWHORJAJYVKFC-WDEREUQCSA-N 316.365 -0.055 30 20 DBED C[C@@H](CNC(=O)CCCCC(N)=O)N=c1cc[nH]c(C#N)n1 1098036974 UGDZXSMIZCBWOD-JTQLQIEISA-N 304.354 -0.268 30 20 DBED C[C@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)Nc1ccc(C#N)nc1 1098213999 UIAYAIZIGCEWMK-SKDRFNHKSA-N 302.338 -0.107 30 20 DBED CC#CCN(CCO)C1CCN(C(=O)C2(C(N)=O)CC2)CC1 1098465156 ZNJWNDJRWCATAO-UHFFFAOYSA-N 307.394 -0.440 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)Cn2nccn2)[C@@H](O)C1 1099844525 IUTDSWMCLPATTI-STQMWFEESA-N 309.370 -0.968 30 20 DBED C=CCCCN1CC[C@@H](NC(=O)c2nnc(O)nc2O)[C@@H](O)C1 1099904664 ZQCOCSGNRXFCJH-ZJUUUORDSA-N 323.353 -0.586 30 20 DBED C=CCCN1CC[C@@H](NC(=O)CCN2C(=O)CCC2=O)[C@H](O)C1 1099908448 DLANOGWLMUHQEN-CHWSQXEVSA-N 323.393 -0.347 30 20 DBED CN(CCNC(=O)[C@@H]1COCCN1C)c1ccc(C#N)nn1 1100028315 OIDWBJSODOAKMU-LBPRGKRZSA-N 304.354 -0.769 30 20 DBED Cc1ccc(C#N)c(N(C)CCNC(=O)[C@H]2C[C@H]2C(N)=O)n1 1100327915 FJSYMLOTYCYBIV-NEPJUHHUSA-N 301.350 -0.065 30 20 DBED CCN(CCNC(=O)[C@H]1CCCC(=O)N1)c1ccc(C#N)nn1 1100642392 VYKFJLRDXYZSFP-GFCCVEGCSA-N 316.365 -0.041 30 20 DBED CNC(=O)NCC(=O)NC[C@H]1CCCN1c1ccc(C#N)nn1 1100914996 HNISRYUAIXHGGS-LLVKDONJSA-N 317.353 -0.638 30 20 DBED C[C@H](NC(N)=O)C(=O)NC[C@H]1CCN(c2ccc(C#N)nc2)C1 1100969352 SNFPTWFKMSHWRT-WDEREUQCSA-N 316.365 -0.047 30 20 DBED CN(CCNc1ccc(C#N)nn1)C(=O)[C@H]1CCCC(=O)N1 1101825765 MVJIJJRYVATUSY-LLVKDONJSA-N 302.338 -0.113 30 20 DBED CN(C)C(=O)CC(=O)N(C)[C@H]1CCN(c2cncc(C#N)n2)C1 1102765167 QTNFVVSMHXMNSQ-LBPRGKRZSA-N 316.365 -0.136 30 20 DBED CC[C@@H](CNC(=O)[C@H]1CN(C)CCO1)N=c1cc[nH]c(C#N)n1 1103032029 AQONEEZEIOHYBM-NWDGAFQWSA-N 318.381 -0.593 30 20 DBED C[C@@H](CC(N)=O)C(=O)N1CCC[C@@H]1CN=c1cc[nH]c(C#N)n1 1103820453 VOMPDUCIYZBYQP-WDEREUQCSA-N 316.365 -0.315 30 20 DBED C[C@H](CNC(=O)c1cnn(C)n1)CNc1nccnc1C#N 1104019390 XCNBYOLKYZPCON-VIFPVBQESA-N 300.326 -0.045 30 20 DBED C=C(C)CCNCc1cn(C2CN(C(=O)CNC(N)=O)C2)nn1 1105155557 KKHICJYLTOJUKJ-UHFFFAOYSA-N 321.385 -0.615 30 20 DBED CC(C)[C@@H](CNC(=O)[C@@H]1CCC(=O)N1)N=c1cc[nH]c(C#N)n1 1105206887 XJZMGULCKIDETQ-WDEREUQCSA-N 316.365 -0.399 30 20 DBED C[C@]1(C(=O)N2CC(n3cc(CNCC#N)nn3)C2)CCOC1 1105348990 ADWNLTQGEQHFNT-AWEZNQCLSA-N 304.354 -0.299 30 20 DBED CN1CCC[C@@H]1C(=O)NC[C@@H](O)CNc1cncc(C#N)n1 1105753959 CHVVYSWYCFOACG-NWDGAFQWSA-N 304.354 -0.669 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)[C@@H]2CCCCO2)nn1 1105819640 HSAMXGXUBIOQKM-RYUDHWBXSA-N 305.338 -0.194 30 20 DBED C[C@H](CCNc1nccnc1C#N)NC(=O)[C@H]1CCC(=O)N1 1106271444 LSZVWYHCRUUPMT-NXEZZACHSA-N 302.338 -0.066 30 20 DBED CCN(CCNc1ncccc1C#N)C(=O)Cn1cnnn1 1106679908 PDGYTTJHBWRIMB-UHFFFAOYSA-N 300.326 -0.100 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)CS(=O)(=O)NC)C[C@H]1C 1106995898 ZPTLJUUNRSXCJB-VXGBXAGGSA-N 301.412 -0.757 30 20 DBED N#Cc1cncc(NC/C=C/CNC(=O)CNC(=O)C2CC2)n1 1107060246 GEDYFOHRGZXEBS-OWOJBTEDSA-N 314.349 -0.041 30 20 DBED C[C@H](CNc1ccc(C#N)nn1)NC(=O)c1cn(C)c(=O)cn1 1108217386 SEUWXLYWPXIBIE-SECBINFHSA-N 313.321 -0.328 30 20 DBED C[C@@H](CNc1cnc(C#N)cn1)NC(=O)[C@H]1CCCNC1=O 1108570385 JJRWJXMJJFHATM-ONGXEEELSA-N 302.338 -0.209 30 20 DBED C[C@@H](CNc1ccc(C#N)nc1)NC(=O)Cn1ncn(C)c1=O 1108596272 JYOPGAYUVLLXRX-JTQLQIEISA-N 315.337 -0.535 30 20 DBED C[C@@H](CN(C)c1ccnc(C#N)n1)NC(=O)c1cnn(C)c1N 1108933949 ZFRJWULGZHGSTO-VIFPVBQESA-N 314.353 -0.081 30 20 DBED CC(=O)NCC(=O)N[C@]1(C)CCN(c2cncc(C#N)n2)C1 1110718478 IOXQSYPZCFCZJK-CQSZACIVSA-N 302.338 -0.431 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)[C@H]1CN(c2ccc(C)nn2)C[C@@H]1O 1111190954 ZZZIJNNKDLBEDP-IHRRRGAJSA-N 318.377 -0.169 30 20 DBED N#Cc1nc(=NCCN(CCO)C(=O)Cc2ccco2)cc[nH]1 1111501273 SFXQQYFRTCKIHJ-UHFFFAOYSA-N 315.333 -0.161 30 20 DBED N#Cc1c(F)cccc1N1CCOC[C@H]1CNC(=O)C(N)=O 1111715207 FXNPWOYRFUMYEO-SECBINFHSA-N 306.297 -0.496 30 20 DBED C#CCN1C[C@@H]2CCC[C@]2(NC(=O)CN(C)S(C)(=O)=O)C1 1111767990 JCKJOUXOKQUFJD-JSGCOSHPSA-N 313.423 -0.518 30 20 DBED CNC(=O)CC(=O)N1CCO[C@@H](CNc2cnc(C#N)cn2)C1 1111940769 UQLOGVUREPDVAB-NSHDSACASA-N 318.337 -0.876 30 20 DBED CN(C)CCC(=O)NC[C@@H]1CN(c2ncccc2C#N)C[C@H]1O 1112754780 GTPOVHNFRLMISL-ZIAGYGMSSA-N 317.393 -0.182 30 20 DBED CCNC(=O)NC(=O)[C@H](C)N1CCN(C(=O)C#CC2CC2)CC1 1112828558 YOHLCFNGPBFALC-LBPRGKRZSA-N 320.393 -0.222 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@H]2COCCN2CC)CC1 1113050826 VXCWFHDHHHFWCV-CQSZACIVSA-N 324.425 -0.847 30 20 DBED C[C@H](CNC(=O)c1cnn(C)c1N)N(C)c1ccc(C#N)nn1 1113573315 ISXYZPNDCOEQNZ-SECBINFHSA-N 314.353 -0.081 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)c3ccncc3)[C@H]2C1 1113778133 XKPTWKYGPLOJIV-SPWCGHHHSA-N 312.373 -0.121 30 20 DBED Cc1ncsc1C(=O)NC1[C@H]2CN(CC(=O)NCC#N)C[C@H]12 1113912913 CYPNLXJTVPAQJP-UWVGGRQHSA-N 319.390 -0.249 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)c3cnns3)[C@H]2C1 1113945100 PERZYPNSPTVHIE-GUBZILKMSA-N 321.406 -0.111 30 20 DBED C=CCCC(=O)N[C@H]1[C@@H]2CN(CC(=O)NC(=O)NC3CC3)C[C@@H]21 1114003907 FDHRJMBVMALEAP-JYAVWHMHSA-N 320.393 -0.013 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)c3ccnn3CC)[C@H]2C1 1114174491 UVUJZVZXWSIYKE-RYUDHWBXSA-N 317.393 -0.135 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@H]1[C@@H]2CN(Cc3nc(O)n[nH]3)C[C@@H]21 1114194181 MERAGELFURGSHW-HFGIQWQSSA-N 307.354 -0.616 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@H]3C[C@@H]3C(F)F)[C@H]2C1 1114203255 APGHGWOFKVFBQU-HKLXJQGRSA-N 311.332 -0.317 30 20 DBED N#Cc1ccc(N2C[C@H]3C(CNC(=O)Cn4nccn4)[C@@H]3C2)nn1 1114579949 FBBLLIMPIRHCFY-STQMWFEESA-N 324.348 -0.562 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)COC[C@@H]3CCOC3)[C@@H]2C1 1114912980 PTOFSBWVWOFVPI-RBSFLKMASA-N 322.405 -0.264 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)CCN(C)CC)[C@H]2C1 1115073948 FDCTXIDFEYCGJW-VIKVFOODSA-N 308.426 -0.323 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)NC1[C@H]2CN(CCOC)C[C@H]12 1115301715 FPBKRGDJGLKMOG-RYUDHWBXSA-N 324.425 -0.057 30 20 DBED C=CCOCCN1C[C@@H]2C(NC(=O)[C@@H]3CCCN3C(N)=O)[C@H]2C1 1115346046 QFJQKQZSFAJUAY-AVGNSLFASA-N 322.409 -0.222 30 20 DBED Cc1nc[nH]c1C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1115356493 KQBAXGSGJXMMJD-IWIIMEHWSA-N 302.338 -0.982 30 20 DBED C[C@H](OC(=O)CC[C@H]1NC(=O)NC1=O)C(=O)N(C)CCC#N 1115818694 QLFLGJQXWYIJFC-DTWKUNHWSA-N 310.310 -0.722 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CC[C@H](CNC)C2)nn1 1118148036 LRVDNSGQJGHZAC-LLVKDONJSA-N 306.370 -0.852 30 20 DBED N#CCNC(=O)CNC1CC2(C1)CC(NC(=O)[C@H]1CCCO1)C2 1120556583 CSROTPBRQPBDBV-HTVNSPLZSA-N 320.393 -0.178 30 20 DBED CNC(=O)NC(=O)CNC1CC2(C1)CC(NC(=O)[C@@H](C)C#N)C2 1120840393 AUPBFZMZFNEDBJ-YMPWGHJTSA-N 321.381 -0.381 30 20 DBED NC(=O)NC(=O)CNC1CC2(C1)CC(NC(=O)C#CC1CC1)C2 1121087897 ZHRXESFRBOGQPB-UHFFFAOYSA-N 318.377 -0.388 30 20 DBED Cc1cc(C#N)nc(N[C@H](CO)CNC(=O)c2cnns2)n1 1121092151 JPYHEBHIKYQKNI-VIFPVBQESA-N 319.350 -0.289 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](CO)Nc1ncnc2c1cnn2C 1121213260 PCHSCEOZBFHVBT-IUCAKERBSA-N 303.326 -0.588 30 20 DBED CCO[C@@H](C)C(=O)NC[C@@H](CO)Nc1nc(C)cc(C#N)n1 1121223949 ZEKKSIHWOMEPNC-JQWIXIFHSA-N 307.354 -0.029 30 20 DBED COCCO[C@H](C)C(=O)NC[C@@H](CO)Nc1ncccc1C#N 1122014511 XXZQGDNPCNINDX-YPMHNXCESA-N 322.365 -0.106 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)[C@@H]2CCCNC2=O)nc1 1122148034 QCAXGBOSWOZHPB-VXGBXAGGSA-N 317.349 -0.632 30 20 DBED C=CCCC(=O)NCCNCC(=O)NCC(=O)NC(C)(C)C 1124636790 XKKPNWCJGOFDOG-UHFFFAOYSA-N 312.414 -0.311 30 20 DBED C=C(C)CCNCCNC(=O)CN(C)S(=O)(=O)N(C)C 1127099783 PJIGFDAYOAFOOR-UHFFFAOYSA-N 306.432 -0.603 30 20 DBED C=C(C)CN[C@@H]1CCN(c2cccc(CNC(=O)C(N)=O)n2)C1 1127846238 RJTKIMAMFSMVBF-CYBMUJFWSA-N 317.393 -0.073 30 20 DBED C[C@H](Oc1cccc(F)c1)C(=O)NCCNCC(=O)NCC#N 1127978308 AJFQRTMUVIVEMD-NSHDSACASA-N 322.340 -0.061 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1ccn2cncc2c1 1130867827 PRJUQMHPHIOXQO-UHFFFAOYSA-N 300.322 -0.707 30 20 DBED CC#CCN1C[C@H]2C[C@@H]3CN(C(=O)[C@@H](C)CC(N)=O)C[C@@]3(C1)O2 1131252770 ZHLUMUHGGVWYGH-ZOMKSWQUSA-N 319.405 -0.177 30 20 DBED COCC#CCN1CC[C@@]2(C1)CN(C(=O)COC)C[C@@H](C)O2 1131617250 RCOZXRPCCSQUNP-GDBMZVCRSA-N 310.394 -0.026 30 20 DBED C=CCCN[C@H](C)C[C@@H](C)NC(=O)c1cn(CC(N)=O)nn1 1146584172 QYFDEZJPDPVNJA-GHMZBOCLSA-N 308.386 -0.174 30 20 DBED COCC#CCN1CCC2(C1)CN(C(=O)[C@H]1C[C@H]1C(=O)OC)C2 1147173285 KMESPIUWZRQTLX-UONOGXRCSA-N 320.389 -0.020 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)C(=O)N2CC[C@@H](C)C2)C1=O 1147175051 IJUHKTPDTJJXHI-CHWSQXEVSA-N 322.409 -0.653 30 20 DBED C=CCOCC(=O)N1CC2(CCN([C@H](C)C(=O)NC(N)=O)C2)C1 1147256273 RITWMXULIPHKHY-LLVKDONJSA-N 324.381 -0.693 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)CCC(=O)NCCC 1148223169 RXGBWEIVVIBDHP-GFCCVEGCSA-N 310.398 -0.864 30 20 DBED C#CCN1CCC(C(=O)NCCNCc2cnn(CC)n2)CC1 1152335039 XFZXIGHUTVPXEE-UHFFFAOYSA-N 318.425 -0.151 30 20 DBED CS(=O)(=O)CCCNCCCNC(=O)CSCC#N 1154815262 ZZRVSDNHQUALRF-UHFFFAOYSA-N 307.441 -0.226 30 20 DBED C#CCNC(=O)CC(=O)NCCCN[C@H](CCCC)C(N)=O 1156852748 NESCYBUCQMOTQX-GFCCVEGCSA-N 310.398 -0.734 30 20 DBED COc1cc(C(=O)NCCCNCC(=O)NCC#N)sn1 1158303475 RNOOAHNCFFXHSS-UHFFFAOYSA-N 311.367 -0.499 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)c1cnc2n1CCC2 1160191892 RLNNGUQIJPATBR-GFCCVEGCSA-N 317.393 -0.323 30 20 DBED C#CCO[C@@H](C)C(=O)NCCC1(CN[C@H]2CCNC2=O)CC1 1164505274 WADKYVXIQKLGSS-STQMWFEESA-N 307.394 -0.211 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1cc(C)nn1CC 1167263847 LHJREWOSOKNNAP-UHFFFAOYSA-N 305.382 -0.330 30 20 DBED C[C@@H](CCCCNCC(=O)NCC#N)NC(=O)[C@@H]1[C@H]2COC[C@H]21 1174805518 SNQRLYVVVHTRRD-RMRHIDDWSA-N 322.409 -0.217 30 20 DBED N#CCSCC(=O)N1CC[C@@H](NC[C@@H](O)Cn2cccn2)C1 1181124214 OCAZNVHACLLEJJ-CHWSQXEVSA-N 323.422 -0.309 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)C[C@@](C)(O)C=C)C1 1189918401 PYSWZLVKRRCATQ-BBRMVZONSA-N 307.394 -0.404 30 20 DBED CCc1nnc(CN2C[C@@H](O)[C@H](NC(=O)[C@@H](C)C#N)C2)s1 1191865503 WEVLELXZRIMQHB-IVZWLZJFSA-N 309.395 -0.079 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(Cc2nccn2C)C[C@H]1O 1192525447 UVTYHUOKPAQWKN-LALPHHSUSA-N 308.382 -0.592 30 20 DBED CC(C)N(C)C(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)C#CC2CC2)C1 1192826115 AVULLWDEBHITFW-NWANDNLSSA-N 321.421 -0.184 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2conc2C)C[C@H]1O 1192890760 CCNSVDFLAGTSHN-MRVWCRGKSA-N 307.350 -0.317 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2csnn2)C[C@H]1O 1192892492 YOONBUHNMZUEHY-YUSALJHKSA-N 310.379 -0.762 30 20 DBED COCC#CCN(C)[C@H]1CCN(C(=O)C(=O)NCC2CC2)C1 1193122182 INNJHECPDIWZJX-AWEZNQCLSA-N 307.394 -0.305 30 20 DBED Cn1nnnc1CN1CCCN(C(=O)CSCC#N)CC1 1194912220 BBIQFWOBBCQDGK-UHFFFAOYSA-N 309.399 -0.499 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2CN(CCC[C@@H](C)O)C[C@H]2O)c1 1196046153 QIUXFVLMQREEJS-DAXOMENPSA-N 317.389 -0.001 30 20 DBED C[C@@H](NC[C@@H]1CN(C(=O)CSCC#N)CCCO1)C(N)=O 1199913111 JCBMXQBFBPTHON-GHMZBOCLSA-N 314.411 -0.676 30 20 DBED CC(C)(C)C#CC(=O)N1CCC(NCC(=O)NC(N)=O)CC1 1200471410 HMRIQETWRYKLBA-UHFFFAOYSA-N 308.382 -0.189 30 20 DBED C#CCNC[C@@H]1CN(C(=O)CNC(=O)C2CCC2)CCCO1 1202146801 AJVXGIQCRUFGJC-CQSZACIVSA-N 307.394 -0.257 30 20 DBED N#CCNC[C@H]1CN(C(=O)[C@@H]2CCCN2C(N)=O)CCCO1 1202236489 SNRCYEOTCUOMQO-RYUDHWBXSA-N 309.370 -0.740 30 20 DBED C=CCNC(=O)[C@@H](C)NC1CCN(C(=O)c2cnn(C)n2)CC1 1202940382 PTQLFKKBZCMAKJ-LLVKDONJSA-N 320.397 -0.300 30 20 DBED N#CCN[C@@H]1C[C@H](NC(=O)C(=O)NCC(F)F)C12CCC2 1203123037 OAHOIIKKLHXHDB-BDAKNGLRSA-N 300.309 -0.092 30 20 DBED CC#CCN[C@H]1C[C@H](NC(=O)c2nnc(O)nc2O)C12CCC2 1203132813 PKYQAGCXYKGIJJ-UWVGGRQHSA-N 317.349 -0.063 30 20 DBED CN1C(=O)CN(CC(=O)N2CCC(CNCC#N)CC2)C1=O 1206868947 LFRCATYARZPZOG-UHFFFAOYSA-N 307.354 -0.768 30 20 DBED Cc1cc(CC(=O)N2CCC[C@@H](NCC(=O)NCC#N)C2)n[nH]1 1207776960 MUVNKZJCMKKFKX-GFCCVEGCSA-N 318.381 -0.519 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)c2cn(C)nn2)C1 1207974395 GIWKZWZQCDXQCB-VXGBXAGGSA-N 318.381 -0.853 30 20 DBED Cc1cncn1CC(=O)N1CCC[C@H](NCC(=O)NCC#N)C1 1208570037 WPNFLANFJNKOTM-ZDUSSCGKSA-N 318.381 -0.588 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)[C@@H](CC)NC(C)=O)C1 1209745778 VDTLLVJNTGUQTE-UONOGXRCSA-N 324.425 -0.216 30 20 DBED C#CCN1C[C@@H](NC(=O)COCc2nnc(C)s2)[C@H](OC)C1 1213131074 KJQXBPQWVJVBQN-VXGBXAGGSA-N 324.406 -0.188 30 20 DBED C[C@@H](OCC1CC1)C(=O)N1C[C@@H](NCC(=O)NCC#N)[C@H](C)C1 1214276280 YFGYPEGEWGUHRI-YRGRVCCFSA-N 322.409 -0.122 30 20 DBED C=C[C@@](C)(O)CC(=O)N1C[C@@H](NCCS(C)(=O)=O)[C@H](C)C1 1214520371 GAHMOWFHQXLBQA-YRGRVCCFSA-N 318.439 -0.205 30 20 DBED C[C@H]1CCCN1CC(=O)N1C[C@@H](NCC(=O)NCC#N)[C@H](C)C1 1215536042 FLTOWMOZMGNCBT-HZSPNIEDSA-N 321.425 -0.453 30 20 DBED C#CCCN[C@@H]1CN(C(=O)[C@H]2CCN(C)S2(=O)=O)C[C@H]1C 1215864944 CNVRSJGHOZQGMT-JHJVBQTASA-N 313.423 -0.520 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(Cc2cccnc2OC)C[C@@H]1O 1219362411 ZYAXAUQEYCFPCA-KGLIPLIRSA-N 321.377 -0.046 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@@H](NC(C)=O)C2CCCC2)C1 1219975519 METDUIDHACETST-PMPSAXMXSA-N 321.421 -0.134 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)c2ccc(C(N)=O)o2)C1 1219975753 REHFMUYSCQSLJJ-MNOVXSKESA-N 323.349 -0.644 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@H](C)N(C)CC(F)(F)F)C1 1220211286 KCELAUYPQFJLJC-AXFHLTTASA-N 307.316 -0.337 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](NC(=O)CCCS(N)(=O)=O)C1 1220249766 ZZZNBGBMBCMORF-NEPJUHHUSA-N 319.427 -0.817 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1CN(CC#CC)C[C@@H]1O 1220487876 GYSYIRJFQUMMJI-KFWWJZLASA-N 307.394 -0.358 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)CNC(=O)c2ccc(C)s2)C1 1220899846 YLVDAPOYKKGZEW-NEPJUHHUSA-N 321.402 -0.419 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1CCN(CC(=O)NC(N)=O)CC1 1223183310 XFGYUCFCKUAACP-NSHDSACASA-N 324.381 -0.952 30 20 DBED N#CCNC(=O)CN1CCC(NC(=O)C2=CCOCC2)CC1 1226985229 BTJNHJHWDRCGTQ-UHFFFAOYSA-N 306.366 -0.447 30 20 DBED C#CCN1CCC(NC(=O)CCCn2c(O)nnc2O)CC1 1228095936 IIWMCPHOJNAPCZ-UHFFFAOYSA-N 307.354 -0.317 30 20 DBED C=CCNC(=O)[C@H](C)N1CCC(NC(=O)[C@H]2CCNC2=O)CC1 1228589398 SSXZDPOARHHMLG-AAEUAGOBSA-N 322.409 -0.606 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@@H]1CN(C)C(=O)CN(C)C(C)=O 1230829123 JSDPPCIREOOOGV-GXTWGEPZSA-N 322.409 -0.865 30 20 DBED CC(C)OCCC(=O)N(C)C[C@@H]1CCN1CC(=O)NCC#N 1230838596 PMWUGJMHXXIQPJ-ZDUSSCGKSA-N 310.398 -0.026 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@H]1CN(C)C(=O)CC(=O)NCC 1233837077 LSRKVPFUAHSNES-STQMWFEESA-N 322.409 -0.817 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C[C@@H]1CCN1CC(=O)NCC#N 1234215364 KGVDEBJGFDZPDX-STQMWFEESA-N 306.366 -0.803 30 20 DBED C#CCOCCC(=O)N(C)C[C@@H]1CCN1CC(=O)NC(=O)NC 1234266326 PIKUZZMFZMUDDU-LBPRGKRZSA-N 324.381 -0.985 30 20 DBED C=CCn1cc(C(=O)N2CCc3c(nnn3CCOC)C2)nn1 1261499882 XJZYUCWQZMYDAI-UHFFFAOYSA-N 317.353 -0.100 30 20 DBED COCC#CCNC[C@H]1CCCCN1C(=O)[C@@H]1CN(C)C(=O)N1 1317190071 VARRSDJZHBEPKC-KGLIPLIRSA-N 322.409 -0.370 30 20 DBED CC(C)NC(=O)CNC(=O)NCCN/C(O)=C1/N=CC=CC1=O 1318521598 OJWKDXUVHSRWGZ-SEYXRHQNSA-N 323.353 -0.663 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@H](C)CCSC 1323750310 XPGWAZKAWJGBEG-SNVBAGLBSA-N 322.452 -0.039 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCC(OC(C)=O)CC1)[C@H]1CCCO1 1325474084 IZOHQXCPXDSVML-UONOGXRCSA-N 322.361 -0.163 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCC[C@@H](n2ccnn2)C1 1326240387 WBIOBSLHQFUKNU-GFCCVEGCSA-N 305.338 -0.792 30 20 DBED CN(C)C(=O)N1CCN(C(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)CC1 1328160159 HBRRMPRWRQJHEU-NWDGAFQWSA-N 321.381 -0.379 30 20 DBED COC(=O)CN(CC#N)C(=O)c1ccc(-n2cncn2)nc1 1328989456 PDFYBTQHTOLAMG-UHFFFAOYSA-N 300.278 -0.199 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N1CC[C@@H](CN(C)C)C1 1330875934 IBRXLGRMRPPJRP-UONOGXRCSA-N 309.410 -0.059 30 20 DBED CN(CCOCCN)C(=O)C(=O)NCc1ccc(C#N)c(F)c1 1331572907 MUSINWNYNGIREY-UHFFFAOYSA-N 322.340 -0.253 30 20 DBED C[C@](C#N)(NC(=O)CN1CCC(C(=O)NCCO)CC1)C1CC1 1331855110 ICOURSPLEIZHBM-MRXNPFEDSA-N 322.409 -0.385 30 20 DBED C=CCn1nnnc1N(CCOC)[C@H]1CCS(=O)(=O)C1 1335327229 IIOZEEZSCWMYFB-JTQLQIEISA-N 301.372 -0.501 30 20 DBED C#CCNCC(=O)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1340240879 MNMVCPPDRXSWAF-CQSZACIVSA-N 306.410 -0.636 30 20 DBED C=CCn1c(CCO)nnc1N1C[C@H]2C(=O)N(C)C(=O)[C@H]2C1 1352101689 KWHGFFUIMDBARD-AOOOYVTPSA-N 305.338 -0.950 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N[C@H](C(N)=O)c1ccccn1 1363920641 PPCBMLAWCZNCBL-ONGXEEELSA-N 311.367 -0.466 30 20 DBED CCOC(=O)C[C@@H](O)Cn1c(=O)c(C#N)c(C)n(C2CC2)c1=O 1364615007 RSUJKCRBPFIFOH-LLVKDONJSA-N 321.333 -0.161 30 20 DBED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC[C@@H](O)CO 1365080046 MXQACIAKBFZISK-GFCCVEGCSA-N 317.349 -0.380 30 20 DBED CNC(=O)N[C@H]1CCCN(S(=O)(=O)N(C)C[C@@H](C)C#N)C1 1365460669 OXRJDHWQWRWKSZ-QWRGUYRKSA-N 317.415 -0.284 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](NC(=O)CCCS(C)(=O)=O)C1 1372294024 OKCLZKWNOIHDNH-WDEREUQCSA-N 315.395 -0.312 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)[C@H](NC(N)=O)C(C)(C)C)C1 1385940363 HAPXSCVKUADRDR-NAKRPEOUSA-N 323.397 -0.008 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H](CNC(=O)CN2CCOCC2)C1 1386376493 JJUXLEUAQUGWFV-ZIAGYGMSSA-N 322.409 -0.167 30 20 DBED Cc1cc(=O)c(C(=O)NC[C@H](O)CNC(=O)[C@H](C)C#N)c[nH]1 1389127525 MYNVRISVOLKDEK-PSASIEDQSA-N 306.322 -0.950 30 20 DBED CCN(CCC#N)C(=O)CNC[C@@H](C)NC(=O)c1ccn(C)n1 1392531076 SPXQFBOPFGWCTK-GFCCVEGCSA-N 320.397 -0.110 30 20 DBED COc1ccc(CC(=O)NC[C@@H](O)CNC(=O)[C@H](C)C#N)cc1 1399871226 OHDKIVTZIWDLQJ-DGCLKSJQSA-N 319.361 -0.009 30 20 DBED N#Cc1cnn2c(O)cc(CN3CCN4C(=O)NC[C@H]4C3)nc12 1412953954 ZGENXCVVJUDXKH-NSHDSACASA-N 313.321 -0.484 30 20 DBED C[C@@H]1CSC[C@H]1NC(=O)NCCn1cc(C#N)c(O)nc1=O 1413813903 GALPSONYTRILHX-PSASIEDQSA-N 323.378 -0.129 30 20 DBED CC(C)OCC(=O)NCCN1CCN(C(=O)[C@H](C)C#N)CC1 1414747319 JCRYNROATFYNSC-CYBMUJFWSA-N 310.398 -0.169 30 20 DBED CCCNC(=O)[C@@H](C)N1CCN(CCNC(=O)[C@H](C)C#N)CC1 1419134460 UAQCDAQUBSQFBW-ZIAGYGMSSA-N 323.441 -0.205 30 20 DBED C[C@H](C#N)C(=O)N1CCC(C)(CNC(=O)Cn2ncnn2)CC1 1432710120 VFMBMTVQZZQYSN-LLVKDONJSA-N 319.369 -0.422 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)c2nc3ncccn3n2)CC1 1433962425 FDSFQOVXLWIHSC-VIFPVBQESA-N 313.321 -0.337 30 20 DBED Cn1cnc(C(=O)NCC2(NC(=O)c3c[nH]c(C#N)c3)CC2)n1 1453379560 NGTZLKWTOQEKDC-UHFFFAOYSA-N 313.321 -0.293 30 20 DBED COC(=O)NCC(=O)NC1CN(C(=O)c2ccc(C#N)[nH]2)C1 1456226695 PIRYBUGNKZFHQJ-UHFFFAOYSA-N 305.294 -0.817 30 20 DBED CCCC[C@@H](NC(N)=O)C(=O)N1CC(CNC(=O)[C@H](C)C#N)C1 1498676962 HDLSCTQFTNTGOM-ZYHUDNBSSA-N 323.397 -0.052 30 20 DBED COc1cc(C(=O)N2CC(CNC(=O)[C@@H](C)C#N)C2)ncn1 1530881056 UWWHRUJGAVOFNT-VIFPVBQESA-N 303.322 -0.167 30 20 DBED CC[C@@H](CNC(=O)CS(=O)(=O)C(C)C)NC(=O)[C@@H](C)C#N 1531216015 CXNLLGMMVBCGGT-QWRGUYRKSA-N 317.411 -0.020 30 20 DBED C[C@@H](CNC(=O)[C@H](C)C#N)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 1573584866 GYBVCRWDTKYHDE-SFYZADRCSA-N 316.325 -0.411 30 20 DBED C#CCN(C(=O)[C@H](C)n1cnc(-c2nn[nH]n2)n1)C1CSC1 1588347765 WRQAYBKNZHJAAO-QMMMGPOBSA-N 318.366 -0.404 30 20 DBED C#CCN(CC(=O)O)C(=O)C(=O)Nc1cc(C(=O)OC)n(C)c1 1588394999 HWRGBWUGGJZECU-UHFFFAOYSA-N 321.289 -0.703 30 20 DBED CN(C)c1n[nH]c(CNc2cnc(-c3nn[nH]n3)c(C#N)n2)n1 1591038473 VDNPCOUITZJPFU-UHFFFAOYSA-N 312.301 -0.675 30 20 DBED C[C@@H](OC(=O)c1cccc(C#CCO)c1)C(=O)NCC(=O)O 1593586475 XHTLFPTXLDSUBB-SNVBAGLBSA-N 305.286 -0.224 30 20 DBED COC[C@H]1CCCN1C(=O)C(=O)N1CCC(C#N)(C(=O)O)CC1 1599203530 IAJBRNFUOBRKRF-LLVKDONJSA-N 323.349 -0.159 30 20 DBED Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H](CO)C(=O)O 1600783097 DYXHJICDWWKZAO-LBPRGKRZSA-N 308.338 -0.092 30 20 DBED N#C[C@@]1(F)CCN(C(=O)C(=O)N2CCO[C@@H](CC(=O)O)C2)C1 1601058078 KPOJYLJZMHIVQD-ZANVPECISA-N 313.285 -0.847 30 20 DBED N#Cc1ccc(NC(=O)C(=O)N2C[C@H](O)C[C@@H](C(=O)O)C2)cc1 1601106873 IAQLLQWPXBSZFI-ZYHUDNBSSA-N 317.301 -0.209 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CN(c2ncc(C(=O)O)cn2)C[C@H]1O 1601224325 SLBRMYVJFYNBLG-VXGBXAGGSA-N 316.317 -0.746 30 20 DBED C#CCN(CC(=O)O)S(=O)(=O)C[C@@H](OC)[C@@H]1CCOC1 1602699710 ZRXKRYPTQWGRRD-GHMZBOCLSA-N 305.352 -0.613 30 20 DBED C=C(CC)CNC(=O)Cn1cc(-c2nn[nH]n2)c(O)nc1=O 1602767569 JBPOCVWHRAMLRB-UHFFFAOYSA-N 305.298 -0.789 30 20 DBED C=CC[C@H](C(=O)OC)N1CCN([C@]2(C(=O)O)CCOC2)CC1 1602836379 OZVWBAUHYDCPLU-IUODEOHRSA-N 312.366 -0.035 30 20 DBED C=CCS(=O)(=O)CCNC(=O)Cn1cc(C(=O)O)cn1 1602924784 GJGXOMRKHHAOIT-UHFFFAOYSA-N 301.324 -0.702 30 20 DBED C[C@@H]1C[C@H](CO)CN(c2cnc(-c3nn[nH]n3)c(C#N)n2)C1 1603850957 OIGRDRHCBDETKU-BDAKNGLRSA-N 300.326 -0.017 30 20 DBED CN(C[C@H]1COCCO1)c1cnc(-c2nn[nH]n2)c(C#N)n1 1604736053 KYSUQUHVJNKJIV-QMMMGPOBSA-N 302.298 -0.620 30 20 DBED N#CC1(C[C@H](O)CN2CCN([C@]3(C(=O)O)CCOC3)CC2)CC1 1608175912 KIUBHIXLZNXYGM-XJKSGUPXSA-N 323.393 -0.098 30 20 DBED N#Cc1ncn(CCNC(=O)N2CCO[C@@H](CC(=O)O)C2)n1 1610636660 LIAQVKIEJFHBAC-VIFPVBQESA-N 308.298 -0.965 30 20 DBED CCOC(=O)c1cn(CCNC(=O)Cn2cnc(C#N)n2)cn1 1645784540 SNHFNDGUCIQPDC-UHFFFAOYSA-N 317.309 -0.661 30 20 DBED C[C@H](C#N)C(=O)N(C)C1CCN([C@@H]2CCC(=O)NC2=O)CC1 1752295863 XQCSJBNNTJFCAV-ZYHUDNBSSA-N 306.366 -0.126 30 20 DBED C=C(C)CN[C@@H](CNC(=O)Cn1nc(C)n(C)c1=O)C1CC1 1752494053 MUZNAJVZAVTWPX-ZDUSSCGKSA-N 307.398 -0.049 30 20 DBED C#CCOCCC(=O)NC[C@H](C)NCc1nnc2n1CCOC2 1752872843 LCUOIUGIUIVKBS-LBPRGKRZSA-N 321.381 -0.558 30 20 DBED CCN(CCC#N)C(=O)CN[C@H]1CCC[C@H](NC(=O)C(N)=O)C1 1752975245 AJQOSLFEMNOEJD-RYUDHWBXSA-N 323.397 -0.749 30 20 DBED C#CCN1CC[C@H](CNC(=O)CCCN2C(=O)CNC2=O)C1 1753139246 XLKFNMKMQJROOO-GFCCVEGCSA-N 306.366 -0.610 30 20 DBED C#CCNC(=O)[C@@H](C)NCCN(C)C(=O)c1ccnc(OC)n1 1753211562 REAPORMYJNHMIV-LLVKDONJSA-N 319.365 -0.715 30 20 DBED C=C(C)CN1CC[C@@H](N(C)C(=O)CN(C)S(C)(=O)=O)C1 1753437800 ZPLSBUKAUBGMBX-GFCCVEGCSA-N 303.428 -0.013 30 20 DBED C#CCNC(=O)CNC[C@](C)(NC(=O)[C@@H]1CCOC1)C1CC1 1753514711 NGMPKXITUGUSBK-WBMJQRKESA-N 307.394 -0.353 30 20 DBED C=CCCC(=O)NC[C@@H]1CN([C@@H](C)C(=O)NC(N)=O)CCO1 1753656511 HOHONZHJHFZNQS-WDEREUQCSA-N 312.370 -0.647 30 20 DBED C#CCNC(=O)CNC[C@@H](C)N(C)C(=O)[C@@H]1CCO[C@H]1C=C 1753713949 RFFSYZNLHWOITP-MCIONIFRSA-N 307.394 -0.237 30 20 DBED C#CCCN[C@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C[C@H]1C 1753767046 BWDJOWKJBCUYHE-NEPJUHHUSA-N 318.381 -0.773 30 20 DBED C=CCn1cc(C(=O)N(C)CCN(C)Cc2nc(O)n[nH]2)nn1 1753865310 PLRSXJYCOBOGJX-UHFFFAOYSA-N 320.357 -0.508 30 20 DBED C#CCNC(=O)[C@@H](C)NCC[C@@H](C)NC(=O)c1ccc(O)nn1 1753942957 JSGAVLQXWROROQ-GHMZBOCLSA-N 319.365 -0.582 30 20 DBED C[C@H](CN(C)CC(=O)NCC#N)NC(=O)CCc1cncnc1 1754319828 OURXBNMSKYEJFC-GFCCVEGCSA-N 318.381 -0.515 30 20 DBED C=C(C)CN(CC)C(=O)[C@H](C)NC[C@H](NC(=O)C(N)=O)C1CC1 1754451015 ZERPIMBXLCYRCL-AAEUAGOBSA-N 324.425 -0.231 30 20 DBED N#CCNC1(CNC(=O)c2ccccc2OCC(N)=O)CC1 1754519613 KDGSAHOYXYVXTQ-UHFFFAOYSA-N 302.334 -0.074 30 20 DBED COCC#CCN1CCC(C)(CNC(=O)[C@H](C)NC(N)=O)CC1 1754717570 XMTJJHQLUNITHX-ZDUSSCGKSA-N 324.425 -0.089 30 20 DBED C=CCN1CCC[C@](CO)(NC(=O)CCN2C(=O)CCC2=O)C1 1754855286 MPIYYYCURKNPCV-INIZCTEOSA-N 323.393 -0.345 30 20 DBED C#CCNC(=O)CNC1(CNC(=O)c2coc(C)n2)CCC1 1754981498 TTXBMWMJYWFCBQ-UHFFFAOYSA-N 304.350 -0.025 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1CC2(C[C@@H](NC(C)=O)CO2)C1 1755057039 OHNISFGAWLGSOY-CMPLNLGQSA-N 324.381 -0.634 30 20 DBED C=CCN1CC(N2CCN(C(=O)[C@@H](CCC)NC(N)=O)CC2)C1 1755145847 FGCJYMMNWRMCRM-CQSZACIVSA-N 323.441 -0.162 30 20 DBED Cn1cnnc1COCC(=O)N[C@@H]1CC[C@@H](CNCC#N)C1 1755747974 YMELVIOYRSUYJB-VXGBXAGGSA-N 306.370 -0.270 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H](OC)C2CC2)CC1(C)C 1755754922 DMOTXTZLXCFSMA-HIFRSBDPSA-N 321.421 -0.013 30 20 DBED CN(C[C@H](O)CNCC#N)C(=O)c1cccc(-n2ccnn2)c1 1755795706 IWHBRYCVTJQBAX-CQSZACIVSA-N 314.349 -0.187 30 20 DBED COCC#CCNC1CC(N(C)C(=O)[C@H]2CCN(C)C2=O)C1 1755859696 CYMMGBOBUFFHGB-RUXDESIVSA-N 307.394 -0.307 30 20 DBED C#CCOCCC(=O)NC[C@@H](C)N(C)C(=O)[C@]1(C)CNC(=O)C1 1756026493 HKMZEBHDSUYATL-WBMJQRKESA-N 323.393 -0.484 30 20 DBED C=CCC1(C(=O)NC[C@H](CO)NC(=O)c2ncn(C)n2)CCC1 1756549212 VBVPWPNWUNFLFD-LLVKDONJSA-N 321.381 -0.232 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C[C@@H]1CCCCN1C(=O)C(N)=O 1757548954 OLNOESUFEHRSOC-RYUDHWBXSA-N 309.366 -0.651 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1CCCC1 1802193296 LUDZDGOYSZDESW-XOIINTDNSA-N 319.405 -0.305 30 20 DBED N#Cc1ccc(OCC(=O)OCC(=O)N2CCNC(=O)C2)cc1 9801194 FPXQFMWQJGNNAL-UHFFFAOYSA-N 317.301 -0.561 30 20 DBED C#CCN1CCN(C(=O)CN2CCC3(CC2)OCCO3)CC1 81648491 ZULDYSCFFNZMKO-UHFFFAOYSA-N 307.394 -0.397 30 20 DBED CC[C@H](C)/N=C(/NCC(=O)N(C)C)N1CCN(CC)C(=O)C1 262293159 LRLQEQJMUMJGEP-LBPRGKRZSA-N 311.430 -0.017 30 20 DBED Cn1c(=O)c2cc(C(=O)NCCCC#N)cnc2n(C)c1=O 273060958 SSOQWMAWQMTVHN-UHFFFAOYSA-N 301.306 -0.334 30 20 DBED C=C(C)[C@H]1OCC[C@H]1CNC(=O)CN1C(=O)C(=O)N(C)C1=O 281330967 JJCGTXPQLMIPLX-GXSJLCMTSA-N 309.322 -0.496 30 20 DBED CN1CCO[C@H](C/N=C(/O)NC[C@@H](O)C2CCOCC2)C1 329577996 KLSJAVJDDOSYMW-CHWSQXEVSA-N 301.387 -0.392 30 20 DBED C[C@H]1CS(=O)(=O)C[C@H]1N/C(O)=N/C[C@@H]1CN(C)CCO1 329680709 WNMUJNIFDVTVQU-HBNTYKKESA-N 305.400 -0.746 30 20 DBED CCN(C[C@@H](C)C#N)C(=O)CN1CCN2C(=O)NC(=O)[C@H]2C1 330515892 VXAXEIZUPQGCFW-WDEREUQCSA-N 307.354 -0.769 30 20 DBED C=CC[C@H](CO)CNS(=O)(=O)CCNS(=O)(=O)CC 341186513 KQCSOGISCLGAKY-JTQLQIEISA-N 314.429 -0.970 30 20 DBED CC(C)n1cc(C#N)c(NC(=O)C(=O)N[C@@H]2CCO[C@@H]2C)n1 341546279 HELWHURAXIQWDM-MWLCHTKSSA-N 305.338 0.568 30 20 DBED COCCN1CCN(C(=O)CNc2ccc(C#N)cn2)CC1=O 352800583 ZZMLSWFSQSLSDP-UHFFFAOYSA-N 317.349 -0.318 30 20 DBED C=CCNC(=O)CNC(=O)N1CCN(c2nccnc2C)CC1 370180496 CZFLLKQAAOXKJU-UHFFFAOYSA-N 318.381 -0.081 30 20 DBED CN(CCC#N)S(=O)(=O)N1CC(=O)N[C@@H]2CCCC[C@H]21 408261404 OMRBRNKJFGZCLR-GHMZBOCLSA-N 300.384 -0.180 30 20 DBED C=CCCn1cc(C(=O)Nc2n[nH]c(C)c2C(=O)NC)nn1 425288896 LVOWCTQCBCAAGY-UHFFFAOYSA-N 303.326 0.498 30 20 DBED C[C@@H](C(=O)N(C)C)S(=O)(=O)NCC1CCN(CC#N)CC1 447749770 DSPIFIQFNIKMEH-NSHDSACASA-N 316.427 -0.382 30 20 DBED C#C[C@H](CC)NC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 491819028 RWRLYRAAOUKTIV-CYBMUJFWSA-N 320.393 -0.126 30 20 DBED COC(=O)CNC(=O)CNC(=O)Cc1c(F)cccc1C#N 514952473 ZGZUKBVQMBLIJZ-UHFFFAOYSA-N 307.281 -0.355 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCCN(C(=O)CNC(C)=O)CC1 528729877 MDJYFBZMPUAJTP-GFCCVEGCSA-N 310.398 -0.653 30 20 DBED CN(CCCc1[nH]nc(N)c1C#N)C[C@@H](O)Cn1cccn1 551462480 GLADFCQPRIOKLD-LLVKDONJSA-N 303.370 -0.014 30 20 DBED CNC[C@H](C)CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 564991427 VUAIGMYHRSBQJZ-NSHDSACASA-N 324.406 -0.192 30 20 DBED C[C@@H](O)C(=O)N1CCN(Cc2cnc3c(C#N)cnn3c2)CC1 566855983 IFFLVYCUVXJBRN-LLVKDONJSA-N 314.349 -0.374 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCO[C@@H](C(=O)O)C1 570284349 HAAVDWGZJYGCOL-NXEZZACHSA-N 305.356 -0.502 30 20 DBED Cc1onc(CC(=O)N[C@H](C)C(=O)NCCN(C)C)c1C#N 579002672 RSPLGLXNZALHRU-SECBINFHSA-N 307.354 -0.420 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1C[C@@H]2COC[C@]2(C(=O)O)C1 595883806 FZWKUJFISZGCQO-IMSIIYSGSA-N 311.338 -0.580 30 20 DBED Cc1cc(C(=O)NCC(=O)N[C@@H](C#N)CO)ccc1[N+](=O)[O-] 597745229 HLBAXBFDLCMSAE-JTQLQIEISA-N 306.278 -0.366 30 20 DBED Cc1ccnc(NC(=O)CN(C)C(=O)Cn2cnc(C#N)n2)c1 610882819 HXPDWUPLFHZLST-UHFFFAOYSA-N 313.321 -0.050 30 20 DBED N#CCc1ccccc1S(=O)(=O)N1CCO[C@@H](C(N)=O)C1 619572566 KEDITIKYOFOSKI-LLVKDONJSA-N 309.347 -0.373 30 20 DBED CC#CC[C@@H](CO)NC(=O)C(=O)Nc1cccc2c1CNC2=O 646951023 UUVMERYVVYJORU-JTQLQIEISA-N 315.329 -0.241 30 20 DBED C=CCN(CCOC)C(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1OC 666103971 ZCUQFIQDVLZOMO-MNOVXSKESA-N 306.384 -0.358 30 20 DBED CN(CCC#N)S(=O)(=O)NC[C@@H]1CN2CCC[C@H]2CO1 726186631 FGFDUIDPXHAZNY-NWDGAFQWSA-N 302.400 -0.471 30 20 DBED N#C[C@H]1COCCN1C(=O)COc1ccc(-c2nn[nH]n2)cc1 737686501 YBZIJTQQOJICBO-NSHDSACASA-N 314.305 -0.004 30 20 DBED COC(=O)c1ccc(NN=Cc2cn(C)c(=O)n(C)c2=O)nc1 758118815 SZQXELINBGACOA-UHFFFAOYSA-N 317.305 -0.288 30 20 DBED CC(C)(C#N)CS(=O)(=O)NC(=O)c1cnc2[nH]nnc2c1 783124398 IKTOLBKMQXHRDU-UHFFFAOYSA-N 308.323 -0.038 30 20 DBED CN(CCCNC(=O)COC(=O)CCCC#N)S(C)(=O)=O 812616452 CZFHQSDBGJTLEN-UHFFFAOYSA-N 319.383 -0.379 30 20 DBED C#CCCN1CCC(NC(=O)CCn2ncn(C)c2=O)CC1 815675373 IUBFQPJOJJMTNS-UHFFFAOYSA-N 305.382 -0.424 30 20 DBED C[C@@]1(C2CC2)NC(=O)N(CC(=O)N[C@@H]2CCCN(O)C2=O)C1=O 816759188 HJKBTUXGCKEEEC-OTYXRUKQSA-N 324.337 -0.797 30 20 DBED C=CCNC(=O)CNC(=O)C(=O)Nc1ccccc1C(=O)O 819719994 CVOOIBXRAPJJIS-UHFFFAOYSA-N 305.290 -0.258 30 20 DBED C=CC[C@@H](CO)CNS(=O)(=O)N1CCC(C(=O)O)CC1 833370463 KRWSPYBYDPEFCL-SNVBAGLBSA-N 306.384 -0.198 30 20 DBED C=CCONC(=O)[C@@H](C)NS(=O)(=O)c1c(C)nn(C)c1C 837048616 VHGZRAJZCIMAQH-SECBINFHSA-N 316.383 -0.062 30 20 DBED C#CCNS(=O)(=O)CCCS(=O)(=O)Nc1cnsn1 848967314 XJZAFGGZVQBNFL-UHFFFAOYSA-N 324.409 -0.778 30 20 DBED C#CCN(C)CCCNC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1OC 852359781 NIFSBHUZSKABCI-VXGBXAGGSA-N 317.411 -0.947 30 20 DBED CC(C)[C@@H](C#N)N1CCN(C(=O)C[C@@H]2CC(=O)NC2=O)CC1 931385438 QGEOPYDNGXFFHW-NWDGAFQWSA-N 306.366 -0.268 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](NC(=O)CN2C(=O)CCC2=O)C1 940362724 XOCIVKDCOHIVPW-NXEZZACHSA-N 306.322 -0.988 30 20 DBED C=CCN1CC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)[C@H](C)C1 945089324 FZTSXLLLFHAPMW-GHMZBOCLSA-N 306.370 -0.610 30 20 DBED CO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1NC(=O)Cc1cnc[nH]1 946979347 WJBMRMHANZBMNT-MVWJERBFSA-N 305.338 -0.546 30 20 DBED C[C@H](C#N)C(=O)N1CCC(NC(=O)c2cc(C(N)=O)c[nH]2)CC1 948093537 SLLYXTFTSVZWCW-SECBINFHSA-N 317.349 -0.006 30 20 DBED C[C@H](C#N)C(=O)N1CCC(NC(=O)[C@H]2CCC(=O)N2C)CC1 948110333 WFRSBFMCQZJQNM-ZYHUDNBSSA-N 306.366 -0.126 30 20 DBED C=C(C)CN1CCN(C(=O)c2c[nH]nc2S(N)(=O)=O)CC1 950416739 DNJNQSQPOAOKNF-UHFFFAOYSA-N 313.383 -0.609 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@@H]2CNC(=O)[C@@H]2CCC(=O)N2)[nH]1 951381257 FBTPEVDSBLOLCQ-MNOVXSKESA-N 315.333 -0.504 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)C(N)=O)[C@@H](C)C2)cn1 955795621 LDJHWXMLCZVPPH-GXFFZTMASA-N 314.345 -0.343 30 20 DBED C=CCN1C[C@@H](O)[C@H](CNC(=O)c2cnc3n2CCOC3)C1 958151014 CWWYZJPMWUQJPU-DGCLKSJQSA-N 306.366 -0.378 30 20 DBED C=C(C)CN1C[C@H](CNC(=O)c2cn(C)c(=O)nc2O)[C@@H](O)C1 958668141 WTAWYQSOSPKRPN-JQWIXIFHSA-N 322.365 -0.916 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2ccc(N(C)C)cn2)C1 958734449 ZYDNRABJMHBQOK-DOMZBBRYSA-N 302.378 -0.197 30 20 DBED CN(C)c1ccnc(C(=O)NC[C@@H]2CN(CC#N)C[C@H]2O)c1 958739879 GFENPKCAFYSABE-BXUZGUMPSA-N 303.366 -0.306 30 20 DBED N#Cc1c[nH]c(C(=O)NC2CC(CN[C@H]3CCNC3=O)C2)c1 961683887 BXWCZJOHDBIRKC-NHNAUAITSA-N 301.350 -0.127 30 20 DBED O=C(N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O)c1ccnc(F)c1 961818761 RRPFMYASGSQPNH-OLZOCXBDSA-N 317.320 -0.064 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)c2cncc(F)c2)C1 962211433 CDDJCMJJOSDACH-AXTRIDKLSA-N 306.297 -0.318 30 20 DBED CCc1cnc(CC(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)[nH]1 968362576 MQCVZYPCWZHSDG-JLLWLGSASA-N 319.365 -0.638 30 20 DBED C=CCn1cc(C(=O)N2CC[C@@H](N[C@@H](CC)C(N)=O)C2)nn1 970205189 DPXCSJFESTUWMT-MNOVXSKESA-N 306.370 -0.468 30 20 DBED C[C@H](NC(=O)[C@H]1CCc2nnn(C)c2C1)C1CN(CC#N)C1 970335846 OXNPPEBYUBNBAT-QWRGUYRKSA-N 302.382 -0.120 30 20 DBED C=CCCN1CCO[C@]2(CCN(C(=O)Cn3cnnc3O)C2)C1 972348234 IWDRJQYIBFENEG-OAHLLOKOSA-N 321.381 -0.137 30 20 DBED C=CCN1CCO[C@]2(CCN(C(=O)C3CC(=O)NC(=O)C3)C2)C1 972596358 LMFHSVHGVRJBES-MRXNPFEDSA-N 321.377 -0.472 30 20 DBED C=CCN1CCO[C@@]2(CCN(C(=O)CN3CC(=O)NC3=O)C2)C1 972603538 XHZJLCISFWIVRO-HNNXBMFYSA-N 322.365 -0.973 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)C(=O)N3CC[C@@H](C)C3)C2)C1 972632459 SMUMOZMVZOBDRL-PBHICJAKSA-N 319.405 -0.209 30 20 DBED COCCN1C[C@@H](C(=O)NC[C@H]2[C@@H]3CN(CC#N)C[C@H]23)CC1=O 978240542 HHHYPBZKUFHNPZ-XDQVBPFNSA-N 320.393 -0.701 30 20 DBED N#Cc1cc(C(=O)NC2CN(C(=O)CN3CCCC3)C2)c[nH]1 990933409 YGTPHHGXZLSRIQ-UHFFFAOYSA-N 301.350 -0.077 30 20 DBED C#Cc1cncc(C(=O)N2CC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c1 991293536 GAJINXNTKDNMPR-CHWSQXEVSA-N 314.301 -0.331 30 20 DBED CC#CCN1CC[C@@]2(NC(=O)[C@@H]3CC(=O)NC(=O)N3)CCC[C@@H]12 992289976 LUMKGHJXMKLFGE-OZVIIMIRSA-N 318.377 -0.279 30 20 DBED C#CCN1CCC([C@@H](C)NC(=O)c2cn(C)c(=O)nc2O)CC1 997422011 WESHNHUZZJJION-LLVKDONJSA-N 318.377 -0.051 30 20 DBED Cc1nc2n(n1)C[C@@H](C(=O)NC1CN(C(=O)[C@H](C)C#N)C1)CC2 997634905 CHKIWYPBODZJKN-KOLCDFICSA-N 316.365 -0.364 30 20 DBED C#CCN1CC[C@H](n2cc(CNC(=O)c3cnnn3C)nn2)C1 999991244 MIPIRVQZVVSFOY-LBPRGKRZSA-N 314.353 -0.783 30 20 DBED C[C@@H](C#N)C(=O)N1CC(CNC(=O)c2ccn(C)c(=O)c2)C1 1003065899 PVLJEAULNYZRAY-JTQLQIEISA-N 302.334 -0.267 30 20 DBED N#CCN1CCC(NC(=O)c2cn([C@@H]3CCOC3)nn2)CC1 1003931851 WQHQIBPLYJBHJH-GFCCVEGCSA-N 304.354 -0.043 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1[C@@H]2CN(C(=O)CC(N)=O)C[C@H]12 1009526325 LHBGJRIHWNLITJ-KVSVUVNWSA-N 321.377 -0.727 30 20 DBED C[C@H]1C[C@@H](C(=O)N2CCN(C(=O)C#CC3CC3)CC2)CC(=O)N1 1011110935 VDJMSORSISIPPG-GXTWGEPZSA-N 317.389 -0.015 30 20 DBED C#Cc1cncc(C(=O)N[C@H]2CCN(C(=O)C(N)=O)[C@H]2C)c1 1012022297 DGRSJMAYQDTFHQ-CABZTGNLSA-N 300.318 -0.733 30 20 DBED C=C(Cl)CN1CC[C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C1 1016283104 GUSRVGZLNWSGQO-NXEZZACHSA-N 307.803 -0.379 30 20 DBED C=CCN1CCC2(CC1)C[C@@H]2NC(=O)[C@@H]1CC(=O)NC(=O)N1 1016859555 LVIOARKHRWSNRI-QWRGUYRKSA-N 306.366 -0.259 30 20 DBED N#Cc1cc(C(=O)N2CC[C@H](NCC(=O)N3CCC3)C2)c[nH]1 1018737127 NYOSPYJQSIYFBL-LBPRGKRZSA-N 301.350 -0.077 30 20 DBED Cc1cnccc1C(=O)N[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1O 1023617106 WFXIXABQCNQVLS-OASPWFOLSA-N 302.334 -0.149 30 20 DBED C#CCN1[C@H]2CC[C@H]1CN(C(=O)CC[C@H]1NC(=O)NC1=O)C2 1029577337 NQZOVJWQABHQMF-SDDRHHMPSA-N 304.350 -0.717 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)[C@@H]3CCC(=O)NC3)C2)C1=O 1030590156 KOBREAFJRKYZPI-YPMHNXCESA-N 320.393 -0.900 30 20 DBED CN(C(=O)c1cn(C[C@@H]2CCOC2)nn1)[C@@H]1CCN(CC#N)C1 1033537388 CGLPHACPQUFINI-QWHCGFSZSA-N 318.381 -0.016 30 20 DBED CC(C)C#CC(=O)NC[C@@]1(O)CCN(C(=O)[C@@]23COC[C@@H]2C3)C1 1039665198 GOFFXQJSLUJILI-JQFCIGGWSA-N 320.389 -0.238 30 20 DBED CO[C@H](C)CC(=O)N1CC[C@@](O)(CNC(=O)C#CC2CC2)C1 1039678429 WBPLNEPFORJNDS-MLGOLLRUSA-N 308.378 -0.096 30 20 DBED Cc1cncn1CC(=O)NC[C@@]1(O)CCN(C(=O)[C@H](C)C#N)C1 1040316832 RCQQIXIVNAXNNJ-ABAIWWIYSA-N 319.365 -0.569 30 20 DBED N#Cc1cnc(N2C[C@@H](O)[C@H](NC(=O)c3ccon3)C2)cn1 1040942490 AFPFQZSIYUUGPR-GHMZBOCLSA-N 300.278 -0.684 30 20 DBED C=CCn1cc(C(=O)N2CC(O)(CNC(=O)C(C)C)C2)nn1 1041536489 LUIQFFJOZUAURW-UHFFFAOYSA-N 307.354 -0.577 30 20 DBED C=CCCOCC(=O)N1CC(O)(CNC(=O)COCC=C)C1 1042042982 BDQFZXFETHNHAM-UHFFFAOYSA-N 312.366 -0.529 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)[C@H]2C[C@@]23CCOC3)C1 1042937881 MNXKYHSWTCBRDN-CZUORRHYSA-N 320.389 -0.238 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)CSC)C1 1043033326 XHJHIKSTVZCOHW-UHFFFAOYSA-N 300.380 -0.921 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)C[C@H](C)OC)C1 1043039861 KHJRCQISWSTSGS-RYUDHWBXSA-N 312.366 -0.861 30 20 DBED C=CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)c2ccn(C)n2)C1 1043125260 DFDZEPCRDCIYQN-LLVKDONJSA-N 322.365 -0.686 30 20 DBED C=CCN1CC[C@@H](N2CC(N(C)C(=O)[C@H]3C[C@H]3C(N)=O)C2)C1=O 1043898939 UGOVPARVYSLEQS-FRRDWIJNSA-N 320.393 -0.963 30 20 DBED N#Cc1nccc(N2C[C@H](O)[C@H](NC(=O)CN3CCCC3)C2)n1 1043971955 RLPWFJIVNMWQMW-NEPJUHHUSA-N 316.365 -0.890 30 20 DBED Cc1nonc1C(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1044028375 ICCXKJLSQKNXRS-ZJUUUORDSA-N 315.293 -0.981 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)[C@H]2CCNC2=O)C1 1044463223 AMHJRAOHXHZSQG-JTQLQIEISA-N 309.366 -0.976 30 20 DBED COc1cc(C(=O)N2CC(O)(CNC(=O)[C@H](C)C#N)C2)ccn1 1045564054 BXHIGUMLMRPOEJ-SNVBAGLBSA-N 318.333 -0.447 30 20 DBED CCc1cnc(CC(=O)N2CC(O)(CNC(=O)[C@@H](C)C#N)C2)[nH]1 1045565196 SXIWLPYFISWGSH-JTQLQIEISA-N 319.365 -0.636 30 20 DBED C=CCN1CC[C@H](N2CCN(C(=O)[C@H]3CN(C)CCO3)CC2)C1 1046014516 YSDYFLJVAJOJBF-JKSUJKDBSA-N 322.453 -0.279 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccn(C)c(=O)c2)C1 1047432127 ALTUODPNOSVLLD-KBPBESRZSA-N 303.362 -0.474 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)C(=O)N2CCC(C)CC2)C1 1047555167 QZOGHFFVGJIGFD-KBPBESRZSA-N 307.394 -0.618 30 20 DBED CCCC(=O)N1CCC[C@@H]1C(=O)N(C)[C@H]1CN(CC#N)C[C@@H]1O 1047635649 IQRGNLUUGBYMOX-RDBSUJKOSA-N 322.409 -0.195 30 20 DBED C=CC(C)(C)C(=O)N(C)[C@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@@H]1O 1049180343 DDVWSORPAMJNRF-RHYQMDGZSA-N 323.393 -0.650 30 20 DBED C=C(C)CN1CCOC[C@@H]1CNC(=O)C1CS(=O)(=O)C1 1050935717 BPOZIEJPMMLSGE-LBPRGKRZSA-N 302.396 -0.576 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)c1c[nH]nc1[C@@H]1CCOC1 1051046785 VIRJEGOLCIGEAN-CHWSQXEVSA-N 318.377 -0.023 30 20 DBED C#CCCN1CCOC[C@H]1CNC(=O)c1cc(C(N)=O)c[nH]1 1051189690 RGDUTWVOQVGTRR-GFCCVEGCSA-N 304.350 -0.433 30 20 DBED C#CCN1CCC(C(=O)NC[C@@H]2COCCN2CCO)CC1 1051253927 CDQZJFKKNGJNJA-OAHLLOKOSA-N 309.410 -0.859 30 20 DBED N#CCN1CCN([C@H]2CCN(C(=O)[C@H]3CCCNC3=O)C2)CC1 1052037147 FBTNWCLKIHICOV-KBPBESRZSA-N 319.409 -0.745 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H](CNC(=O)C(C)C)[C@@H](C)C1 1052391305 LCHQKOKFJUJOLI-STQMWFEESA-N 307.394 -0.007 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2cnnn2C)C[C@H]1C 1052487968 FAIAGBBGICOMDA-NEPJUHHUSA-N 321.381 -0.158 30 20 DBED C[C@H](C#N)C(=O)N1CCOC2(C1)CN([C@@H]1CCCNC1=O)C2 1053191433 QKKZBKROCJXZAJ-VXGBXAGGSA-N 306.366 -0.662 30 20 DBED C#CCN1CC2(C1)CN(C(=O)c1ccc3nn[nH]c3n1)CCO2 1053280879 JSLAGQHQBKTERX-UHFFFAOYSA-N 312.333 -0.487 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)CN1CCCCC1=O)CCO2 1053326012 NAAITQIFRIZUPX-UHFFFAOYSA-N 319.405 -0.065 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)[C@H]1CCN(C(C)=O)C1)CCO2 1053520692 XZMAGDKKDQXBJR-HNNXBMFYSA-N 319.405 -0.209 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)c3cnn4cccnc34)CO2)C1 1053889484 KNLILSUESNVCNZ-LLVKDONJSA-N 312.333 -0.174 30 20 DBED C=C(C)CN1CC2(C[C@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)CO2)C1 1053923734 ASHKZJMJALLRNP-RWMBFGLXSA-N 323.393 -0.445 30 20 DBED C=CCOCC(=O)N1CCC[C@](CO)(NC(=O)COCC)C1 1055731024 BPJZRSSMIJAUHR-HNNXBMFYSA-N 314.382 -0.305 30 20 DBED C=CCOCC(=O)N[C@]1(CO)CCCN(C(=O)[C@@H](C)OC)C1 1055832180 VKXMRKXMXZHZBA-IUODEOHRSA-N 314.382 -0.306 30 20 DBED CCN(C)CCC(=O)N[C@]1(CO)CCCN(C(=O)[C@@H](C)C#N)C1 1056124363 VYLUMTNHORZCGT-XJKSGUPXSA-N 324.425 -0.042 30 20 DBED CC(C)OCC(=O)N(CCO)CCNC(=O)c1cc(C#N)c[nH]1 1057136309 FMNCVFIGKUFMLA-UHFFFAOYSA-N 322.365 -0.138 30 20 DBED CC(C)N1CCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@H](C)C#N 1057587323 CWAVNCQUFZVCNL-KGLIPLIRSA-N 324.425 -0.044 30 20 DBED Cn1cnc(C(=O)N[C@@H]2CCCN(c3ccnc(C#N)n3)C2)n1 1058154154 WGKALWFVMHNYNB-SNVBAGLBSA-N 312.337 -0.124 30 20 DBED CN1CCO[C@H](C(=O)N[C@@H]2CCN(c3ccc(C#N)nn3)C2)C1 1058316767 HGIACTDXPROWCS-OLZOCXBDSA-N 316.365 -0.626 30 20 DBED N#Cc1ccc(N[C@H]2C[C@H](NC(=O)[C@@H]3CCCNC3=O)C2)nn1 1059325778 YSPSPHXHVDWVOO-IJLUTSLNSA-N 314.349 -0.066 30 20 DBED N#Cc1nccnc1N[C@H]1C[C@@H](NC(=O)[C@@H]2CCC(=O)N2)C1 1059683776 HCJLVHCOVTTXCP-AEJSXWLSSA-N 300.322 -0.314 30 20 DBED C=CCOCC(=O)NC[C@@H]1COCCN1C(=O)Cn1ccnc1 1061419151 HBKKQGPELRRBGD-CYBMUJFWSA-N 322.365 -0.571 30 20 DBED C=CCOCC(=O)N1CCOC[C@H]1CNC(=O)c1cncn1C 1061686827 HHTVGBAHEHLCOO-GFCCVEGCSA-N 322.365 -0.420 30 20 DBED CC#CCCCC(=O)NC[C@H]1COCCN1C(=O)CC(N)=O 1061784439 HKPWMTPSRFFMDZ-LBPRGKRZSA-N 309.366 -0.601 30 20 DBED C=CCCCC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1CNC(=O)N1 1061828168 PWTHVMVHPMFCPG-RYUDHWBXSA-N 324.381 -0.632 30 20 DBED N#CCSCC(=O)NCC1(NC(=O)[C@H]2CCC(=O)N2)CCC1 1062578824 BNVXUVZIBQCRLO-SNVBAGLBSA-N 324.406 -0.323 30 20 DBED N#Cc1cnc(N2CCC3(CCN(C(=O)C(N)=O)CC3)C2)cn1 1063599794 FMXGGHXTTASSSC-UHFFFAOYSA-N 314.349 -0.348 30 20 DBED N#Cc1cncc(N2CC[C@H]3CC[C@@H](C2)N3C(=O)C(N)=O)n1 1064485849 KVKMQWWLFOCPEO-MNOVXSKESA-N 300.322 -0.597 30 20 DBED N#Cc1cncc(N2CC[C@H]3CCN(C(=O)CC(N)=O)C[C@H]32)n1 1064674847 MWUNUFSBASOBMW-ZYHUDNBSSA-N 314.349 -0.349 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCO[C@@H](CNC(=O)CSC)C1 1065153301 UCPUJKYFDYEUNC-RYUDHWBXSA-N 314.407 -0.269 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CN(C(=O)c2csc(O)n2)CCO1 1065487155 HBQIGLHGWUWFQQ-DTWKUNHWSA-N 324.362 -0.034 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CCCN(C(=O)Cn2cnnc2O)CC1 1066474952 LROUCGFRAKWVMC-MNOVXSKESA-N 320.353 -0.359 30 20 DBED C[C@@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1Nc1cncc(C#N)n1 1067042004 HUBBYIHBPQXUFP-KOLCDFICSA-N 313.325 -0.706 30 20 DBED N#Cc1cnc(N2C[C@@H](O)[C@@H](CNC(=O)c3ccncc3)C2)cn1 1067642752 JXVDWRAPNFFSJZ-GXTWGEPZSA-N 324.344 -0.030 30 20 DBED N#Cc1nccc(N2C[C@@H](O)[C@@H](CNC(=O)c3cnco3)C2)n1 1067688897 NFZKMAMPMWZLAV-VHSXEESVSA-N 314.305 -0.437 30 20 DBED CNC(=O)CC(=O)N1CC2(C[C@@H](NC(=O)C#CC3CC3)CO2)C1 1068860913 UYYPQORDTGMXIN-GFCCVEGCSA-N 319.361 -0.978 30 20 DBED CC(C)C#CC(=O)N1CC2(C[C@H](NC(=O)c3cnon3)CO2)C1 1068977026 CGAASEFDPRMTSG-NSHDSACASA-N 318.333 -0.171 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1COC2(C1)CN(C(=O)c1ccnnc1)C2 1069008795 VHOWOOGQZRUFQX-JQWIXIFHSA-N 315.333 -0.264 30 20 DBED C[C@H]1C[C@H](Nc2ccc(C#N)nn2)CN1C(=O)CS(C)(=O)=O 1069042156 RXXYWJXDTBVORT-ONGXEEELSA-N 323.378 -0.206 30 20 DBED Cc1nnc(CC(=O)N2C[C@H](n3ccnn3)[C@H](NCC#N)C2)o1 1070188722 LRUGQZONWRRKMX-MNOVXSKESA-N 316.325 -0.923 30 20 DBED C=C[C@@H](CC)CC(=O)NC1(CNC(=O)C(N)=O)CCOCC1 1070209538 FXQQKFAAQPTUBK-NSHDSACASA-N 311.382 -0.144 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC[C@@H](NC(=O)Cn2nccn2)C1 1070730943 YUAMCVNYOIJYSX-QWHCGFSZSA-N 319.365 -0.576 30 20 DBED C=CCn1cc(C(=O)N2CCC[C@@H](NC(=O)CC(N)=O)C2)nn1 1070752326 MWOUNJHAINKKMX-SNVBAGLBSA-N 320.353 -0.940 30 20 DBED C=CCOCC(=O)N1C[C@@H](C)[C@@H](NC(=O)CCCC(N)=O)C1 1071805487 OTEHTLCWTSRGFE-NEPJUHHUSA-N 311.382 -0.192 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)c2cnc3[nH]nnc3c2)C1 1073639569 IXXICODBAGQEQZ-GFCCVEGCSA-N 314.349 -0.193 30 20 DBED COc1cncc(C(=O)NC[C@H]2CN(CC#N)CCCO2)n1 1073804154 FIGOALRIEMKSGE-NSHDSACASA-N 305.338 -0.171 30 20 DBED C=C(Cl)CN1CCO[C@@H]2CCN(C(=O)CC(N)=O)C[C@H]21 1074199459 CDTFWXCJGMGOFL-GHMZBOCLSA-N 301.774 -0.084 30 20 DBED C=CCOCC(=O)NCC1(O)CCN(C(=O)CCOC)CC1 1074378111 GSTXAIDLFXFVMY-UHFFFAOYSA-N 314.382 -0.305 30 20 DBED CCN(C)CCC(=O)N1CCC(O)(CNC(=O)[C@H](C)C#N)CC1 1074728334 GGOYJTCSXIOMJS-CYBMUJFWSA-N 324.425 -0.042 30 20 DBED C=CCOCCCC(=O)N1CC[C@H](NC(=O)C(N)=O)C[C@H]1C 1075143563 BGXFZLYECOHPTI-NEPJUHHUSA-N 311.382 -0.050 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN([C@H](C)C(N)=O)C[C@H]2O)cc1 1077493733 INPSSMGEVMSABX-LERXQTSPSA-N 301.346 -0.683 30 20 DBED C=C(Br)CN1C[C@@H](O)[C@H](NC(=O)c2nc[nH]n2)C1 1077862589 IMCOFNIPLMDDEW-HTQZYQBOSA-N 316.159 -0.512 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2cnn3c2C[C@@H](C)CC3)C1 1078089998 AIBAGQIAUSNPMW-NJZAAPMLSA-N 302.378 -0.127 30 20 DBED CC[C@@H](C(=O)N1CCC(CO)(NC(=O)[C@@H](C)C#N)CC1)N(C)C 1080981976 PXESELAYAGJBLM-STQMWFEESA-N 324.425 -0.044 30 20 DBED C=CCOCC(=O)N1C[C@H](CNC(=O)c2cnccn2)[C@@H](O)C1 1081205637 UAKGGVJKSXWKEA-AAEUAGOBSA-N 320.349 -0.772 30 20 DBED C=CCN1CC[C@H](N[C@@H]2CN(C(=O)CC(N)=O)C[C@H]2C)C1=O 1082454171 BUUQMSZFSRXZQR-GRYCIOLGSA-N 308.382 -0.915 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)c2cc(=O)c(OC)c[nH]2)C1 1083643544 NTSJPQUYCOPNRD-YPMHNXCESA-N 307.350 -0.266 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCN(C)C2=O)C1 1083710705 KNWDVSNOJRRKMC-AXFHLTTASA-N 301.774 -0.622 30 20 DBED CC#CCN1CC[C@@H]2CN(C(=O)CN3CC(=O)N(C)C3=O)[C@@H]2C1 1084772481 DNSGOTWAVPRNFE-CHWSQXEVSA-N 318.377 -0.564 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)CNC(N)=O)Nc1nccnc1C#N 1089213920 DSOISBTWRACJPH-BDAKNGLRSA-N 305.342 -0.288 30 20 DBED C[C@@H](C[C@H](C)NC(=O)CNC(N)=O)N=c1cc[nH]cc1C#N 1089214141 FXACVCQSKSNUDB-UWVGGRQHSA-N 304.354 -0.261 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)c1cnn(C)n1)N=c1cc[nH]c(C#N)n1 1089348633 KXRDUHVHGDDHRS-VHSXEESVSA-N 314.353 -0.092 30 20 DBED CNC(=O)NCC(=O)N[C@@H](C)C[C@@H](C)N=c1cc[nH]c(C#N)n1 1089499218 LOBYNLWAEQVQHA-ZJUUUORDSA-N 319.369 -0.606 30 20 DBED COc1cnc(C(=O)N[C@@H]2CCN(CC#N)C[C@H]2O)c(F)c1 1090312764 LHZOUXHRDBDKBI-VXGBXAGGSA-N 308.313 -0.082 30 20 DBED C#CCOc1ccc(C(=O)N[C@@H]2CCN(CCO)C[C@H]2O)cc1 1090624142 MPXDXPILFUBSHR-HZPDHXFCSA-N 318.373 -0.144 30 20 DBED C=CCN1CC[C@H](NC(=O)c2cnn3c(=O)cc[nH]c23)[C@H](O)C1 1090630143 LLQLGXIZPKVLQY-NWDGAFQWSA-N 317.349 -0.626 30 20 DBED C=CCCn1cc(C(=O)N[C@H]2CCN(CC#N)C[C@@H]2O)nn1 1090638762 RTPBASZTQAJXTN-AAEUAGOBSA-N 304.354 -0.457 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1OC 1090877372 NDRLTDFNKZEGKU-VXGBXAGGSA-N 317.349 -0.591 30 20 DBED CO[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1NC(=O)CCN(C)C 1090936853 PTGWVIJHIXVHEL-CHWSQXEVSA-N 318.381 -0.380 30 20 DBED C=CCN1C[C@@H]2CN(C(=O)Cn3nc(C)n(C)c3=O)C[C@]2(C)C1 1092242205 IBVRJTGECWGAAM-CJNGLKHVSA-N 319.409 -0.143 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(OC2CN([C@H](C)C(N)=O)C2)CC1 1093515630 YUGSOMNFJPUELN-WDEREUQCSA-N 308.382 -0.288 30 20 DBED Cn1cc(CCC(=O)NCCNc2ccc(C#N)nn2)nn1 1093713825 VFVHRTOOWHKMRX-UHFFFAOYSA-N 300.326 -0.362 30 20 DBED Cc1cnc2c(C(=O)NCCN=c3cc[nH]c(C#N)n3)cnn2c1 1094167002 NUBTZNGVOFSHKG-UHFFFAOYSA-N 322.332 -0.037 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)c3cnnn3CC)CC2=O)C1 1094735457 OKPOGMVJZHVYIT-LLVKDONJSA-N 318.381 -0.501 30 20 DBED CC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cn1cnc(C(N)=O)n1 1095439930 LMQWGGKGXFNZKE-WOPDTQHZSA-N 316.365 -0.878 30 20 DBED N#Cc1ccc(N2CC[C@H](NC(=O)CO[C@@H]3CCOC3)C2)nn1 1096439389 GVRRSPDIYDRTBD-QWHCGFSZSA-N 317.349 -0.151 30 20 DBED CC[C@@H](NC(C)=O)C(=O)N[C@H]1CCN(c2ccnc(C#N)n2)C1 1096486262 RYKCGUDNGYUNNS-NWDGAFQWSA-N 316.365 -0.042 30 20 DBED Cc1cc(C#N)nc(N[C@H]2C[C@@H](NC(=O)C3(C(N)=O)CC3)C2)n1 1097249011 WLTXPCSWRXWJBQ-AOOOYVTPSA-N 314.349 -0.019 30 20 DBED C=CCN(CCO)C1CCN(C(=O)[C@@H]2CCC(=O)NC2)CC1 1098417182 YIZKVMFJGCTONT-CYBMUJFWSA-N 309.410 -0.016 30 20 DBED C[C@@H](C(=O)N1CCC(N(CC#N)CCO)CC1)[C@H]1CCC(=O)N1 1098485080 KQHZGISWQNWART-TZMCWYRMSA-N 322.409 -0.290 30 20 DBED C#CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cnc(O)n(C)c2=O)C1 1098971973 TUIZJYBZVQSCFG-ZBEGNZNMSA-N 316.361 -0.297 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)Cc2cnn(C)c2)[C@@H](O)C1 1099711499 AMZUJTODZVXLIG-CABCVRRESA-N 320.393 -0.836 30 20 DBED C=CCCC(=O)N[C@@H]1CCN(CCN2C(=O)CCC2=O)C[C@H]1O 1099725569 WXNWQOWCCGMISR-CHWSQXEVSA-N 323.393 -0.347 30 20 DBED C=CCCCN1CC[C@@H](NC(=O)CN2CCOCC2)[C@H](O)C1 1099779194 XSCVDEDFHQMYFN-HUUCEWRRSA-N 311.426 -0.164 30 20 DBED CCn1ccnc1C(=O)N[C@@H]1CCN(CC#CCOC)C[C@H]1O 1099796923 LBKNDHXDAWJQLT-ZIAGYGMSSA-N 320.393 -0.282 30 20 DBED C=CCCCC(=O)N[C@@H]1CCN(Cc2nc(O)n[nH]2)C[C@H]1O 1099975641 FRFJFHAZUCRVTQ-GHMZBOCLSA-N 309.370 -0.082 30 20 DBED C#CCNC(=O)CC(=O)NCCN(C)c1ncnc2c1CCC2 1100037633 KDPRLBRMPLXFJW-UHFFFAOYSA-N 315.377 -0.343 30 20 DBED CC1(C)CC(=O)N(CC(=O)NCC2CC(NCC#N)C2)C1=O 1100335958 BBGSYBGUMLCMFS-UHFFFAOYSA-N 306.366 -0.221 30 20 DBED C=CCOCCNC1CC(CNC(=O)C2CC(=O)NC(=O)C2)C1 1100754655 DPAQAVYETCMYOT-UHFFFAOYSA-N 323.393 -0.274 30 20 DBED CC(C)(C(N)=O)C(=O)NC[C@H]1CCCN1c1ccc(C#N)nn1 1100876706 IRXWSQMNTQUCOZ-LLVKDONJSA-N 316.365 -0.055 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CN(C(=O)c3ncc[nH]3)C[C@]2(C)C1 1101223769 HNBCCHLTEBSYRE-WBMJQRKESA-N 315.377 -0.447 30 20 DBED CN(CCNc1cncc(C#N)n1)C(=O)CNC(=O)C1CC1 1101506266 UZDQJPSIMIIKQI-UHFFFAOYSA-N 302.338 -0.255 30 20 DBED CC[C@H](C)C(=O)NCC(=O)N(C)CCN=c1cc[nH]c(C#N)n1 1101626981 JNKMFNDTXXYYRU-NSHDSACASA-N 318.381 -0.197 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)[C@H](COC)OC)c3nccn32)C1 1101641282 MLQDQSBCQMHBDA-OLZOCXBDSA-N 318.377 -0.250 30 20 DBED C#CCN1C[C@@H](C)[C@H](CNC(=O)CN2CCC(=O)NC2=O)C1 1102498795 HWZZCGUYALXFAI-VXGBXAGGSA-N 306.366 -0.754 30 20 DBED C[C@@H](CN=c1cc[nH]cc1C#N)CNC(=O)Cn1cnnn1 1103851424 ITBQAAZHLNAAQY-JTQLQIEISA-N 300.326 -0.774 30 20 DBED C[C@H](CNC(=O)[C@H]1COC(=O)N1)CNc1cncc(C#N)n1 1103944988 IAYLRIBECQBSRH-WCBMZHEXSA-N 304.310 -0.379 30 20 DBED C[C@@H](CNC(=O)c1nnn(C)n1)CNc1ccc(C#N)cn1 1104181961 OQTCVXZBTMCCRQ-SECBINFHSA-N 300.326 -0.045 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CN(c2nccnc2C#N)CCO1 1104301580 HUVJIPZTGKYXMQ-WDEREUQCSA-N 300.322 -0.171 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)[C@H]1CCN(C)C1=O 1104772163 UITFQQKEYMYEQI-QWRGUYRKSA-N 316.365 -0.493 30 20 DBED CN(CCN(C)c1cncc(C#N)n1)C(=O)[C@]1(C)CCC(=O)N1 1105553157 XJVKZIVUQOMFMK-HNNXBMFYSA-N 316.365 -0.088 30 20 DBED N#Cc1cncc(NC[C@@H](O)CNC(=O)CCc2ncc[nH]2)n1 1105804279 NGXQMGMHSFQYDV-LLVKDONJSA-N 315.337 -0.407 30 20 DBED Cc1ncoc1C(=O)NC[C@@H](O)CN=c1cc[nH]cc1C#N 1105807718 FPDDYVGWSHIGRY-NSHDSACASA-N 301.306 -0.126 30 20 DBED CO[C@H](C(=O)N1C[C@@H](C)[C@H](CNCC(=O)NCC#N)C1)C1CC1 1106071598 KKKDZMPOFXTFKA-KYOSRNDESA-N 322.409 -0.265 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)c2c[nH]c(=O)cn2)nc1 1106090869 FECXKSMRBJCLFS-JTQLQIEISA-N 314.305 -0.761 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H](O)CNc1nccnc1F 1106155043 SMMKFQONSYGCGQ-NEPJUHHUSA-N 321.356 -0.398 30 20 DBED C[C@H](CCNc1cnc(C#N)cn1)NC(=O)Cn1cnnn1 1106192774 JGGYEXJSEYUWOO-SECBINFHSA-N 301.314 -0.658 30 20 DBED C[C@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)c1cc(=O)n(C)o1 1106307484 DJNHUNZGDYZXBD-SECBINFHSA-N 316.321 -0.318 30 20 DBED C[C@@H]1CN(C(=O)[C@@H]2CCN(C)C2)C[C@H]1CNCC(=O)NCC#N 1106982294 HVNQEKZMIVSUJQ-MGPQQGTHSA-N 321.425 -0.738 30 20 DBED N#Cc1nccnc1NC/C=C/CNC(=O)[C@@H]1CCNC(=O)C1 1107121858 FTBFRMNKCXCMFA-FMBMQGQPSA-N 314.349 -0.041 30 20 DBED C#CCO[C@H](C)C(=O)NCc1cn(C2CN(CC#C)C2)nn1 1107169296 AXHGIXDCSHKKSH-GFCCVEGCSA-N 301.350 -0.578 30 20 DBED CN1C(=O)CC[C@@H]1C(=O)NC/C=C/CN=c1cc[nH]c(C#N)n1 1107482545 OXSNOGJISBDYSO-KXMPLOMGSA-N 314.349 -0.525 30 20 DBED C[C@@]1(CNC(=O)CC2CC2)CN(CC(=O)NCC#N)CCO1 1107682596 WVJHKZDLLOJSQL-OAHLLOKOSA-N 308.382 -0.367 30 20 DBED C[C@H](CNc1ccc(C#N)cn1)NC(=O)C[C@H]1CC(=O)NC1=O 1107825792 HFHMPWUQDNAVAC-KOLCDFICSA-N 315.333 -0.077 30 20 DBED CC(C)N1CCO[C@@H](C(=O)NC[C@@]2(C)CN(CC#N)CCO2)C1 1108159135 SAMQFYNDSHRUOD-ZBFHGGJFSA-N 324.425 -0.174 30 20 DBED CC#CCN1CC(N2C[C@H](NC(=O)COC(C)C)CC2=O)C1 1108522948 ZMZWVUBEINCCQK-CYBMUJFWSA-N 307.394 -0.164 30 20 DBED C=CCCCN1CC(N2C[C@@H](NC(=O)CC(N)=O)CC2=O)C1 1108523480 KJVMTOSUKQJOAI-NSHDSACASA-N 308.382 -0.771 30 20 DBED N#CCN1CC(N2C[C@H](NC(=O)CC[C@@H]3CCOC3)CC2=O)C1 1108533802 CRCCKVPYHAJCOA-CHWSQXEVSA-N 320.393 -0.272 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)c1cc(C(N)=O)co1 1108686859 ZMJFBARGFIXYBA-QMMMGPOBSA-N 314.305 -0.308 30 20 DBED C[C@H](CN(C)c1ccnc(C#N)n1)NC(=O)[C@H]1CCN(C)C1=O 1109183958 QBQWNIVTLGLQGS-GHMZBOCLSA-N 316.365 -0.233 30 20 DBED CN(CCCN=c1cc[nH]c(C#N)n1)C(=O)c1ncn(C)n1 1109438194 GHPCSILVKVKDGA-UHFFFAOYSA-N 300.326 -0.527 30 20 DBED CN1C[C@@H](C(=O)NCC2(Nc3nccnc3C#N)CC2)NC1=O 1110302336 ZZZOGCJAWRLVGJ-JTQLQIEISA-N 315.337 -0.567 30 20 DBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cn1nccn1 1110601128 KUESOWBNOAKWBX-UPJWGTAASA-N 318.381 -0.698 30 20 DBED CC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCNC(=O)COC 1110624959 YGCSXWSLLKFKNQ-MCIONIFRSA-N 307.394 -0.116 30 20 DBED N#Cc1cnc(N2CC[C@](O)(CNC(=O)[C@H]3CCCO3)C2)cn1 1111032096 SCMCEBJPOLULRN-DOMZBBRYSA-N 317.349 -0.415 30 20 DBED CN(C)CCC(=O)N(C)[C@H]1CN(c2nccnc2C#N)C[C@@H]1O 1111197949 ZUZVRZVOXAXHDH-STQMWFEESA-N 318.381 -0.692 30 20 DBED C#CCCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CC[C@H]1NC(=O)NC1=O 1111374412 MCPDWTZWERYZTP-LPWJVIDDSA-N 318.377 -0.281 30 20 DBED Cc1ccc(C#N)c(N2CCOC[C@@H]2CNC(=O)C(N)=O)n1 1111715178 FKKRSDZUBYQNBP-NSHDSACASA-N 303.322 -0.932 30 20 DBED CC(=O)NCC(=O)N1CCO[C@H](CNc2ccc(C#N)nn2)C1 1111929341 DILNNNSROZFDPK-GFCCVEGCSA-N 318.337 -0.876 30 20 DBED CNC(=O)CC(=O)N[C@H]1CCCN(c2cnc(C#N)cn2)CC1 1111984426 YURJJFZYIUDIMO-NSHDSACASA-N 316.365 -0.041 30 20 DBED COCCC(=O)NC[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1O 1112689735 RBLFIIOUDCUGEZ-ZYHUDNBSSA-N 305.338 -0.702 30 20 DBED C[C@@H](NC(=O)Cn1cnnn1)[C@@H](C)Nc1ccc(C#N)nn1 1112905847 SJEJGQDLAJAEQW-RKDXNWHRSA-N 301.314 -0.660 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H](C)N(C)c1ccnc(C#N)n1 1113567125 KLKXVXLRAGIGJW-LLVKDONJSA-N 314.349 -0.571 30 20 DBED CNC(=O)NCCC(=O)NC[C@H](C)N(C)c1ccnc(C#N)n1 1113597443 WAVXEBPOTOCHQP-JTQLQIEISA-N 319.369 -0.392 30 20 DBED C=CCOCCN1CCN(C(=O)c2cn(C)c(=O)n2C)CC1 1113693254 BPJSEWAGTHQPCL-UHFFFAOYSA-N 308.382 -0.316 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)c3ccc[nH]3)[C@@H]2C1 1113854305 FTYSKNOQOYDCHE-QJPTWQEYSA-N 300.362 -0.187 30 20 DBED Cn1[nH]c(CN2C[C@H]3C(NC(=O)C#CC(C)(C)C)[C@@H]3C2)nc1=O 1114259949 CSSMQEKUPJNXSL-GHMZBOCLSA-N 317.393 -0.296 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)c3ccns3)[C@H]2C1 1114351759 QZDYDZKXSQHNCF-DCQANWLSSA-N 318.402 -0.059 30 20 DBED N#CCN1C[C@@H]2C(NC(=O)CS(=O)(=O)C3CCCC3)[C@H]2C1 1114480546 PYZRSSUACLMMQT-RYUDHWBXSA-N 311.407 -0.086 30 20 DBED CC(=O)NCC(=O)NC[C@H]1[C@@H]2CN(c3ccnc(C#N)n3)C[C@H]12 1114502982 DXNGTLVBSYWRMT-CNDDSTCGSA-N 314.349 -0.717 30 20 DBED CC#CCN1C[C@@H]2C(NC(=O)C(=O)Nc3cc(C)on3)[C@H]2C1 1115234377 ZGLNVIHCOOLHJT-QWRGUYRKSA-N 302.334 -0.009 30 20 DBED C=CCOCCN1C[C@@H]2C(NC(=O)CS(=O)(=O)CC)[C@H]2C1 1115300467 RZHWGMURDWUQAQ-RYUDHWBXSA-N 316.423 -0.330 30 20 DBED Cn1nnc(CNC(=O)C(=O)Nc2ccc(F)c(C#N)c2)n1 1116831038 HYPABEAHBAJLAT-UHFFFAOYSA-N 303.257 -0.524 30 20 DBED C=CCn1cc(CNC(=O)C(=O)NCCOCC(=C)C)nn1 1118176449 PLVVOQCGWGXRTK-UHFFFAOYSA-N 307.354 -0.211 30 20 DBED C[C@@H](CN(C)C(=O)[C@H]1CCN(C)C1=O)N=c1cc[nH]c(C#N)n1 1120485658 KDWGHPFUONIFPQ-QWRGUYRKSA-N 316.365 -0.493 30 20 DBED CC(C)CO[C@H](C)C(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1 1121159302 SOVDGWMACRHGJJ-VXGBXAGGSA-N 321.381 -0.280 30 20 DBED N#Cc1nccnc1N[C@@H](CO)CNC(=O)[C@H]1CCCOC1 1121196818 CGGUYDKBTMDRNA-WDEREUQCSA-N 305.338 -0.336 30 20 DBED C=CCOCC(=O)NC[C@H](CO)N=c1cc(C)[nH]cc1C#N 1121323415 BUMRLTWFKQPOIH-CYBMUJFWSA-N 304.350 -0.225 30 20 DBED Cn1cnc(C(=O)NC[C@@H](CO)Nc2ncc(C#N)cc2F)n1 1121438893 AWZYKCWJRCIWHZ-VIFPVBQESA-N 319.300 -0.576 30 20 DBED N#Cc1cccnc1N[C@H](CO)CNC(=O)c1c[nH]c(=O)cn1 1122515426 YESPIHHCWGAMFC-JTQLQIEISA-N 314.305 -0.761 30 20 DBED C[C@@H]1C[C@H](N=c2cc[nH]cc2C#N)CN1C(=O)CCNC(N)=O 1123231790 NUHQFXSNYMQGGF-PWSUYJOCSA-N 316.365 -0.165 30 20 DBED C=CCCC(=O)NCCNCC(=O)N1CCC[C@@H](C(N)=O)C1 1124646203 JFLWTLXQTFPKPG-GFCCVEGCSA-N 310.398 -0.618 30 20 DBED CN(C[C@H](O)CN(C)c1cnc(C#N)cn1)C(=O)[C@H]1CCOC1 1124995036 OKTXJSXFUNBOJK-WCQYABFASA-N 319.365 -0.360 30 20 DBED C#CCOCCC(=O)NCCN[C@@H](C)C(=O)Nc1ncccn1 1127032123 UFJBHJQBCLLZIR-LBPRGKRZSA-N 319.365 -0.451 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(CCF)C[C@@H]1n1ccnn1 1128999025 NDCPFSYOPZYNEF-OLZOCXBDSA-N 309.345 -0.371 30 20 DBED CN(C)CC1(C(=O)N[C@@H]2CN(CC#N)C[C@@H]2n2ccnn2)CC1 1129219637 HWULEJMKLAJXJM-OLZOCXBDSA-N 317.397 -0.515 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1 1129482237 SGSREUSYGXRLST-UPJWGTAASA-N 304.354 -0.266 30 20 DBED C#CCCN1C[C@H]2C[C@@H]3CN(C(=O)CNC(=O)CC)C[C@@]3(C1)O2 1131209752 ICIZEMLRVXXAJY-CKEIUWERSA-N 319.405 -0.162 30 20 DBED COCC1(C(=O)N2CCC(=O)NCCN(CC#N)CC2)CC1 1131369815 ZKWZOGKPSNMZEJ-UHFFFAOYSA-N 308.382 -0.413 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)CNC(=O)CC)CC[C@H]1C 1131908760 MZLOHKCBEQDEEU-OLZOCXBDSA-N 324.425 -0.216 30 20 DBED CCC(=O)NCC(=O)N[C@H]1CC[C@H](C)N(CC(=O)NCC#N)C1 1131909477 XZEKOTIOVKLWPO-RYUDHWBXSA-N 323.397 -0.879 30 20 DBED COCC#CCN1C[C@@H](NC(=O)Cn2ncnn2)CC[C@H]1C 1132041780 KLEHJJURSJJSAG-OLZOCXBDSA-N 306.370 -0.708 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cnc2onc(C)c2c1 1132149919 MAUJFRQSYKEKLQ-UHFFFAOYSA-N 315.333 -0.400 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)[C@@H](F)C(C)C 1132553358 MBLDNLUKCIYSGO-NSHDSACASA-N 302.350 -0.302 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)COc2cnn(C)c2)C1=O 1132964291 IBFHVQKVEREGDH-CYBMUJFWSA-N 321.381 -0.708 30 20 DBED C#CCNC[C@H]1CN(C(=O)C2CC(=O)NC(=O)C2)CC[C@H]1C 1133165198 CRHACRALRROXKR-YPMHNXCESA-N 305.378 -0.253 30 20 DBED C#CCNC[C@@H]1CN(C(=O)CS(=O)(=O)N(C)C)CC[C@H]1C 1133274060 ARFXEIWVZVLDJS-CHWSQXEVSA-N 315.439 -0.415 30 20 DBED CC#CCN[C@H](C)C[C@@H](C)NC(=O)CS(=O)(=O)N(C)C 1136062929 IQJWVIAXDAHGRL-VXGBXAGGSA-N 303.428 -0.226 30 20 DBED COCC#CCN1CCC2(C1)CN(C(=O)Cn1cnnc1O)C2 1147354819 NSEANIFAZFTJII-UHFFFAOYSA-N 319.365 -0.832 30 20 DBED C#Cc1ccc(C(=O)NCCNCCN2C(=O)CCC2=O)nc1 1148376843 NWEATIMDLNGWOD-UHFFFAOYSA-N 314.345 -0.469 30 20 DBED C#Cc1ccc(C(=O)NCCNCCN(C)S(C)(=O)=O)cn1 1148382826 GXVLNIMIQFARPD-UHFFFAOYSA-N 324.406 -0.726 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)CCc1cnn(C)c1 1152215206 INLRXYSFOXMQBW-LBPRGKRZSA-N 307.398 -0.251 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)[C@H]1CCC(=O)N1C 1154795853 KTWRAWPKXQCGQB-CHWSQXEVSA-N 322.409 -0.817 30 20 DBED C=CCCC(=O)NCCCNCC(=O)N[C@@H](C)C(=O)N(C)C 1155601435 AOYSURFILXTSLT-LBPRGKRZSA-N 312.414 -0.359 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)C12CCN(CC1)C2 1156409473 NAVYNJYCFRRHRM-CYBMUJFWSA-N 321.425 -0.451 30 20 DBED C#CCCN(CC)[C@H](C)CNC(=O)CNC(=O)Cn1cncn1 1157081186 HGZWRKRHEZOZJT-CYBMUJFWSA-N 320.397 -0.756 30 20 DBED C#CCN1CCC(CNC(=O)CN2CCOCC2)(COC)CC1 1162224377 AVPCJHYEZSWWBV-UHFFFAOYSA-N 323.437 -0.203 30 20 DBED C=C[C@@](C)(CC)C(=O)NCCCNCC(=O)N1CCNC(=O)C1 1165928831 FMURBRVJCMETFS-INIZCTEOSA-N 324.425 -0.357 30 20 DBED C=CCn1cc(C(=O)NCCCNCc2cn(C)nn2)nn1 1167838817 NBKCPUAENRYPPE-UHFFFAOYSA-N 304.358 -0.498 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)Cc2nnc(C)o2)[C@H]1C 1178611243 FERUXZBVGXIAPL-JQWIXIFHSA-N 321.381 -0.198 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@@H](NCCNC(=O)NC(C)C)C1 1182504530 FPYHCBCRCQXZQW-ZIAGYGMSSA-N 324.425 -0.077 30 20 DBED CCn1nc(C)cc1C(=O)N1CC[C@@H](NCC(=O)NCC#N)C1 1185866151 LRRXMNUKSDHPHN-GFCCVEGCSA-N 318.381 -0.345 30 20 DBED N#CCNC(=O)CN1C[C@@H]2CCN(C(=O)Cc3ccon3)[C@@H]2C1 1187440219 FFDWNACHDVLYLG-WCQYABFASA-N 317.349 -0.610 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)CCn2cccn2)C1 1188905495 FVPKOMDPNAXQII-AWEZNQCLSA-N 317.393 -0.445 30 20 DBED COC[C@@H](O)CN(C)[C@H]1CCN(C(=O)CSCC#N)C1 1188959274 PWZGZOYKBAWTIX-RYUDHWBXSA-N 301.412 -0.217 30 20 DBED C=CCNC(=O)[C@@H](C)N(C)[C@@H]1CCN(C(=O)CNC(=O)CC)C1 1189427933 LRHWOCONBVZTBO-CHWSQXEVSA-N 324.425 -0.264 30 20 DBED COCC(=O)N[C@@H]1CN(Cc2ccc(OC)c(C#N)c2)C[C@H]1O 1190588069 DAXIPEWCJHFNLV-ZIAGYGMSSA-N 319.361 -0.125 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)c2ocnc2C)C1 1192037853 NSDUWVNEYZIBKX-QJPTWQEYSA-N 322.365 -0.551 30 20 DBED C#CCCCCC(=O)N[C@@H]1CN(CC(=O)NCC=C)C[C@H]1O 1192287977 FFOILHRKKXVJNC-ZIAGYGMSSA-N 307.394 -0.357 30 20 DBED COc1ccc(CN2C[C@@H](O)[C@H](NC(=O)C#CC3CC3)C2)nn1 1192769944 DJBWWECJTRQNFB-ZIAGYGMSSA-N 316.361 -0.440 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(CCOCC(C)C)C[C@H]1O 1192890995 FTPQTMANYRLZJB-RBSFLKMASA-N 312.410 -0.141 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CN3CCC2CC3)C1 1193024441 XWXOUJRPIHDHGM-BZUAXINKSA-N 323.437 -0.308 30 20 DBED N#CCNC(=O)CN1CCCN(C(=O)CCc2ncc[nH]2)CC1 1195645220 KUINQFLNWIYXMI-UHFFFAOYSA-N 318.381 -0.484 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCCN([C@H](C)c2nnnn2C)CC1 1195791851 LJIXOOOIVOZJPM-OLZOCXBDSA-N 320.397 -0.156 30 20 DBED C=CCC(C)(C)C(=O)N[C@@H]1CN(CCOCCO)C[C@H]1O 1196475429 VFIJKVVFVHWYLD-CHWSQXEVSA-N 300.399 -0.241 30 20 DBED C#CCCNC[C@H]1CN(C(=O)[C@H]2CCCC(=O)N2)CCCO1 1200767052 KWYPOAKABWUVQL-UONOGXRCSA-N 307.394 -0.115 30 20 DBED C=CCNC[C@H]1CN(C(=O)[C@@H](C)S(C)(=O)=O)CCCO1 1200814572 JXINGHVBXKWZJG-NEPJUHHUSA-N 304.412 -0.187 30 20 DBED CC(=O)N1CCC[C@H]1C(=O)N1CCCO[C@H](CNCC#N)C1 1201891308 LGQNFUBFVWJEAF-KGLIPLIRSA-N 308.382 -0.272 30 20 DBED COCC#CCNC1CCN(C(=O)CCN2CCOCC2)CC1 1202947530 PWLCBYQPQBEHBR-UHFFFAOYSA-N 323.437 -0.061 30 20 DBED CNC(=O)NCC(=O)N1C[C@H]2CC[C@H]1[C@H](NCC#CCOC)C2 1204407395 IBVZAZAMICVRGT-MJBXVCDLSA-N 322.409 -0.466 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@@H](NS(C)(=O)=O)C(C)C)[C@H](C)C1 1209245812 BKUYZHAOHVIMFE-UPJWGTAASA-N 315.439 -0.370 30 20 DBED CC#CCN1C[C@@H](NC(=O)COCc2nncn2C)[C@H](C)C1 1209929820 VTTMYGPFINNEPE-CHWSQXEVSA-N 305.382 -0.209 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)CC(=O)N(C)C)C1 1210010945 ROWBEZMKDNMBON-LBPRGKRZSA-N 310.398 -0.653 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)CCCC(N)=O)[C@H](C)C1 1211462975 JWGDQUYLZLUYOP-VXGBXAGGSA-N 310.398 -0.619 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)c2n[nH]cc2C)[C@H](OC)C1 1212228081 BFUDQAHJYKOFFR-VXGBXAGGSA-N 321.381 -0.551 30 20 DBED C=CCOCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cnn(C)n1 1218771998 SGIPSEGGWPJPJA-UONOGXRCSA-N 321.381 -0.457 30 20 DBED N#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2CC=CCC2)C1 1219173621 OSFGCWUETWGKPH-UPJWGTAASA-N 306.366 -0.856 30 20 DBED CC(C)c1nnc(CN2C[C@H](O)[C@H](NC(=O)[C@H](C)C#N)C2)n1C 1219378734 DFJZLXILNJQLIN-UTUOFQBUSA-N 320.397 -0.241 30 20 DBED CCc1onc(C)c1C(=O)N[C@@H]1CN(CC#CCOC)C[C@@H]1O 1220946377 RISWYQIYCIMNOP-OLZOCXBDSA-N 321.377 -0.030 30 20 DBED CNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C#CC1CC1 1226112180 XJNYTQNENNOCJB-CHWSQXEVSA-N 320.393 -0.128 30 20 DBED CN1CCN(C)[C@H](CNC(=O)C(=O)N2CCC[C@@](C)(C#N)C2)C1 1258383943 QEEAENVUXXQTHN-CJNGLKHVSA-N 321.425 -0.499 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCC(CC(=O)NC)CC1 1260264768 RAZZQQINNJTCGB-UHFFFAOYSA-N 309.366 -0.873 30 20 DBED C#CCSCCNC(=O)C(=O)NC[C@H]1CC(=O)N(C2CC2)C1 1261090153 KDOMVRBBDXDRAM-LLVKDONJSA-N 323.418 -0.404 30 20 DBED C=CCNC(=O)Cn1nnnc1N1CC[C@@H](COCCOC)C1 1262409976 PPWRKQYCNNCRAB-GFCCVEGCSA-N 324.385 -0.535 30 20 DBED C#CCNC(=O)CN[C@@H](C)CCNC(=O)Cc1ccn(C)n1 1281714272 RIUYHHNVPWCZFT-LBPRGKRZSA-N 305.382 -0.804 30 20 DBED C=CCNC(=O)CNC(=O)C(=O)Nc1cccc(C(N)=O)c1 1319864418 VCEFEVWYFQQMKX-UHFFFAOYSA-N 304.306 -0.858 30 20 DBED C=C(C)COCCNC(=O)C(=O)N[C@H]1CCN(CCOC)C1 1323246413 NAUINWBTGWTSMH-ZDUSSCGKSA-N 313.398 -0.468 30 20 DBED CC(C)(C)[S@@](=O)CCNC(=O)C(=O)N1CCO[C@H](C#N)C1 1323432126 NEOBATNOMRGSHI-UZJPJQLHSA-N 315.395 -0.599 30 20 DBED CN(C)C(=O)NCCN(C)C(=O)C(=O)NCC1(CC#N)CC1 1324830960 QWFNYBOLNKZPCL-UHFFFAOYSA-N 309.370 -0.474 30 20 DBED COC(=O)c1cn(C2CCN(CC(=O)NCC#N)CC2)nn1 1325401122 MTHBDNQPACYVMY-UHFFFAOYSA-N 306.326 -0.659 30 20 DBED C#C[C@@H](NC(=O)C(=O)N(C)CC(=O)N1CCCC1)[C@@H]1CCCO1 1328077635 XMZUHFSCECKPKS-OLZOCXBDSA-N 321.377 -0.636 30 20 DBED C#CCn1cc(CNC(=O)CCC(=O)NCCNC(C)=O)cn1 1329277481 HTPNMRUDMKKTHO-UHFFFAOYSA-N 319.365 -0.835 30 20 DBED CC1(C)CN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CCN1 1329453799 OXWGBMARDMVPHZ-ZDUSSCGKSA-N 319.409 -0.604 30 20 DBED CC(=O)N1C[C@H]2CN(C(=O)C(=O)N[C@@H]3CC[C@H](C#N)C3)C[C@H]2C1 1333880053 MDACYOJRPPEOFO-IGQOVBAYSA-N 318.377 -0.268 30 20 DBED Cc1[nH]c(C#N)cc1C(=O)NCCOCCS(N)(=O)=O 1334724276 VLHOSPGTLYIUJT-UHFFFAOYSA-N 300.340 -0.770 30 20 DBED C=CCNC(=O)Cn1nnnc1N(C)CC(=O)N1CCCC1 1335813545 KFNSRZWZPUSWOQ-UHFFFAOYSA-N 307.358 -0.966 30 20 DBED C=CCn1c([C@@H]2CC(=O)N(C)C2)nnc1N1CCN(C)C(=O)C1 1338125844 XTWSVLJVFNGJAM-LLVKDONJSA-N 318.381 -0.312 30 20 DBED C=CCn1c(CCC[N+](=O)[O-])nnc1N1CCN(C)C(=O)C1 1340558902 KYEXACFIGWMVRP-UHFFFAOYSA-N 308.342 -0.048 30 20 DBED C=CCOCCNC(=O)C(=O)N1CCO[C@H]([C@H]2CCCO2)C1 1350029740 SGRXTMXKAVKSBK-OLZOCXBDSA-N 312.366 -0.288 30 20 DBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCOCN1 1363527069 AOJYANJIJYOZLG-UHFFFAOYSA-N 310.335 -0.954 30 20 DBED COC(=O)C1(NS(=O)(=O)N(C)[C@@H](C)CC#N)CCOCC1 1363967259 LTDOTBOYDGWICC-JTQLQIEISA-N 319.383 -0.223 30 20 DBED CCO[C@H](C)C(=O)NCCN1CCN(C(=O)[C@@H](C)C#N)CC1 1372207474 JOSQATUNWPKRGM-QWHCGFSZSA-N 310.398 -0.169 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)C2=COCCC2)C1 1390424338 WPMOOOBIUGJVHT-ABAIWWIYSA-N 307.350 -0.080 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)CN(C)c1ccccc1 1392124643 CCOHUZKLQMEYJR-JSGCOSHPSA-N 318.377 -0.124 30 20 DBED C=C(Cl)CN[C@H](CC)CNC(=O)Cn1cnc(C(N)=O)n1 1400795170 LCIPZOJPNSXQJJ-SECBINFHSA-N 314.777 -0.386 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@@H](CNC(=O)CCc2cnn[nH]2)C1 1406621883 IOBROYQOFIFZGH-JBLDHEPKSA-N 304.354 -0.092 30 20 DBED N#Cc1cn(CC(=O)N[C@@H]2CCN3CCCC[C@@H]23)c(=O)nc1O 1411640726 DFMSOWZQYAQXJG-NEPJUHHUSA-N 317.349 -0.436 30 20 DBED CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)c1c[nH]c(C#N)c1 1411645611 MLBRXEPMPFORSF-JTQLQIEISA-N 324.362 -0.738 30 20 DBED C[C@@H](C#N)C(=O)NC1CN(C(=O)CNC(=O)c2cccs2)C1 1416046424 KGVGWJILISYABP-VIFPVBQESA-N 320.374 -0.035 30 20 DBED CCNC(=O)NC(=O)[C@H](C)N1CC(CNC(=O)[C@@H](C)C#N)C1 1419011903 XHJWLCMMOGKSSQ-UWVGGRQHSA-N 309.370 -0.572 30 20 DBED C=C(Cl)CNC[C@@H](O)CNC(=O)C(C)(C)N1CCOCC1 1422373826 PBPNJXLKTDEVSL-GFCCVEGCSA-N 319.833 -0.084 30 20 DBED COc1cc(C(=O)N(C)C[C@@H](O)CNC(=O)[C@H](C)C#N)nn1C 1425838646 QWPAIBHXMBVWGG-ZJUUUORDSA-N 323.353 -0.863 30 20 DBED CCO[C@H]1C[C@](O)(CNc2[nH]c(=O)n(C)c(=O)c2C#N)C1(C)C 1434444697 PAXBFEYMSAEESU-BONVTDFDSA-N 322.365 -0.077 30 20 DBED C=C(Cl)CNC[C@H](C)NC(=O)CN1CCS(=O)(=O)CC1 1439282463 MKCGKEMIHWBSRZ-NSHDSACASA-N 323.846 -0.436 30 20 DBED C[C@]1(CO)C[C@H](O)CN1Cc1cc(O)n2ncc(C#N)c2n1 1460469255 SPOQYQNGUJATHH-SMDDNHRTSA-N 303.322 -0.376 30 20 DBED CCN(CCNC(=O)[C@H](C)C#N)CC(=O)NC(=O)NC1CC1 1492925913 SAEYMANNMSWPPE-SNVBAGLBSA-N 309.370 -0.428 30 20 DBED N#CC1(C(=O)NCCNC(=O)c2cnccn2)CCOCC1 1528525914 SYSUDECRZHABRE-UHFFFAOYSA-N 303.322 -0.357 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](CO)Nc1ncccc1-c1nn[nH]n1 1573577224 NSVWZBQCHNPVHF-BDAKNGLRSA-N 316.325 -0.690 30 20 DBED C=CCNC[C@H]1CN(C(=O)[C@H](C)OCc2cnn[nH]2)CCO1 1575108950 STGYDNIOHPYAQT-AAEUAGOBSA-N 309.370 -0.287 30 20 DBED C#CCN(CC(=O)O)C(=O)Cn1nnnc1-c1ccsc1 1588406739 DJJXHQJDBHGHAP-UHFFFAOYSA-N 305.319 -0.052 30 20 DBED C#CC[C@@H](NC(=O)c1nc(S(C)(=O)=O)ncc1C)C(=O)O 1588421452 JNLNVBKOJXPWDG-MRVPVSSYSA-N 311.319 -0.605 30 20 DBED C#CC[C@H](NS(=O)(=O)c1cnc2c(cnn2C)c1)C(=O)O 1588428430 OCDXJWKVMKNTKO-JTQLQIEISA-N 308.319 -0.277 30 20 DBED C=CCOCC(=O)N(C)CCNc1cncc(-c2nn[nH]n2)n1 1588666458 GPMXBADHECSJLG-UHFFFAOYSA-N 318.341 -0.270 30 20 DBED COCC#CCN1CC(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1591362464 VRSRATOOYRGVAC-UHFFFAOYSA-N 315.337 -0.741 30 20 DBED Cc1nnc(S)n(N=Cc2nc(-c3nn[nH]n3)cs2)c1=O 1592449112 AIVSFTZEDBFOHZ-UHFFFAOYSA-N 321.351 -0.246 30 20 DBED Cn1cc([C@@H](O)CNc2cnc(C#N)c(-c3nn[nH]n3)n2)cn1 1592567730 OQVDIBHVCFNDCQ-VIFPVBQESA-N 312.297 -0.593 30 20 DBED Cc1c(C#N)c(=O)n(Cc2ncccc2C(=O)O)c(=O)n1C 1599974632 VKBIGQUNUKAMQI-UHFFFAOYSA-N 300.274 -0.131 30 20 DBED N#Cc1ccccc1OC[C@H](O)CN1C[C@@H](O)C[C@H]1C(=O)O 1601126990 ZBZZQPZOZYYSSV-XQQFMLRXSA-N 306.318 -0.182 30 20 DBED C#CCCN1CCN(C(=O)CN2CCC[C@H](C(=O)O)C2=O)CC1 1602708411 QIOKOUDTAUNVRI-ZDUSSCGKSA-N 321.377 -0.523 30 20 DBED N#Cc1ccc(COC(=O)C2CCN(S(N)(=O)=O)CC2)nc1 1650459703 AMJVXTFBLIJOMT-UHFFFAOYSA-N 324.362 -0.088 30 20 DBED COCC#CCN1[C@H]2CC[C@H]1CC(NC(=O)[C@H](C)NC(N)=O)C2 1752694390 SABJKSPOVBWYJI-UBHSHLNASA-N 322.409 -0.195 30 20 DBED NC(=O)NC(=O)CNC[C@H]1CCCN(C(=O)C#CC2CC2)C1 1752797284 GGGDBWPANZTXSV-GFCCVEGCSA-N 306.366 -0.577 30 20 DBED N#CCNC(=O)CNC[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2C(F)F)C1 1752936871 XAQSMGMXYMJMTR-DCAQKATOSA-N 314.336 -0.035 30 20 DBED C=CCNC(=O)CN(C)CCNC(=O)c1cnn(C)c1CC 1753055924 UOUZSMRIWVTYPA-UHFFFAOYSA-N 307.398 -0.054 30 20 DBED C=CCNC(=O)NC(=O)CN1C[C@@H]2C[C@H]1CN2C(=O)COCC 1753416958 KVBBWMMUQDCJCG-RYUDHWBXSA-N 324.381 -0.680 30 20 DBED C=CCOCCNCC1(NC(=O)[C@H]2CNC(=O)N2)CCCC1 1753506800 COFKHYVMZKXFAL-GFCCVEGCSA-N 310.398 -0.111 30 20 DBED C#CCCCC(=O)NC/C=C/CN[C@H](C)C(=O)NC(=O)NC 1754116694 VDQMOCQWKUVSBD-ABZNLYFFSA-N 308.382 -0.104 30 20 DBED C=CCNC(=O)NC(=O)CNC[C@@H](C)NC(=O)C#CC1CC1 1754226389 KZUISDREJRPXGD-LLVKDONJSA-N 306.366 -0.494 30 20 DBED C#CCNC(=O)CN(C)C[C@H](C)NC(=O)C[C@H]1CCCC(=O)N1 1754316581 WESZDQLXLCKYII-QWHCGFSZSA-N 322.409 -0.769 30 20 DBED C#CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)CCc1c(C)nc(O)nc1O 1754425164 ASSJZIAGZGEXMA-SCDSUCTJSA-N 316.361 -0.049 30 20 DBED COCC#CCN1CC[C@@H]1CNC(=O)c1cn(C)ccc1=O 1754488411 CHGYUDRUHXQLPR-CYBMUJFWSA-N 303.362 -0.161 30 20 DBED C=CCCN1CCOC[C@@H]1CNC(=O)CCCS(N)(=O)=O 1754972334 YPAOBZFZFYOKLE-LBPRGKRZSA-N 319.427 -0.552 30 20 DBED CC#CCN[C@@]1(CO)CCCN(C(=O)CS(=O)(=O)CC)C1 1755091751 OTRPZSBRHKVBTE-AWEZNQCLSA-N 316.423 -0.613 30 20 DBED CC[C@@H](F)C(=O)N1CCC(O)(CNCC(=O)NCC#N)CC1 1755151866 WFXNRWVJFKPZJR-LLVKDONJSA-N 314.361 -0.683 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)CN(C)CCC)C(C)(C)C1 1755415317 HXFNYBCGKDQNKB-CQSZACIVSA-N 322.453 -0.096 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H]1C[C@H](CNCc2nc(O)n[nH]2)C1 1755471647 YLJCQKODXQDKGK-DCAQKATOSA-N 307.354 -0.467 30 20 DBED CC#CCNC[C@H]1C[C@H](NC(=O)[C@@H](C)NS(C)(=O)=O)C1 1755479488 PFCKXVVVYPQCFX-IJLUTSLNSA-N 301.412 -0.568 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H](C)CN(C)C(=O)c1[nH]cnc1C 1755619980 KWBVYGIYULFLGY-ZYHUDNBSSA-N 305.382 -0.094 30 20 DBED C#CCNC(=O)CN[C@@H](CO)CNC(=O)C[C@@H]1C=CCCC1 1755632890 ZFIWKSONICTWLS-ZIAGYGMSSA-N 307.394 -0.451 30 20 DBED C=CCNC(=O)CNC1CC(N(C)C(=O)C[C@H]2CCC(=O)N2)C1 1755862550 OOXMBQYJEZSNCO-PNESKVBLSA-N 322.409 -0.464 30 20 DBED CCOCC1(C(=O)N2C[C@H](O)[C@H](NC(=O)C#CC3CC3)C2)CC1 1757171967 OXNCMKLKEIPOIJ-KGLIPLIRSA-N 320.389 -0.096 30 20 DBED N#CCOc1cccc(CC(=O)N[C@]2(C(N)=O)CCOC2)c1 1771767628 KQJWHCFYNDWWTA-OAHLLOKOSA-N 303.318 -0.108 30 20 DBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)C#C)C2)C1 1783046535 LEFKRHUODFNGCC-CJNGLKHVSA-N 304.346 -0.512 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN)C2 1793355688 LVRQCDYIFWJPNC-FMSGJZPZSA-N 311.382 -0.874 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(=O)oc1)C2 1800451223 SRNUWFXCOPWQCC-JJLQDPRZSA-N 316.313 -0.524 30 20 DBED C[C@H](S)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CNC(N)=O)C2 1802298084 BSYHAZFFNVKLFB-QEYWKRMJSA-N 314.411 -0.389 30 20 DBED C#CC(=O)N1CCCC12CN(C(=O)CNC(=S)NCC)C2 1845960207 DVFLTYRPWGDSJR-UHFFFAOYSA-N 308.407 -0.693 30 20 DBED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)c1ccncc1)C2 1846194939 IBXVMTWUCFEYSQ-UHFFFAOYSA-N 313.313 -0.013 30 20 DBED COC(=O)C[C@H]1C(=O)NCCN1S(=O)(=O)CCCCC#N 68873343 NJJHSMAXOWJLRO-JTQLQIEISA-N 317.367 -0.626 30 20 DBED CN1C(=O)CC[C@H](NS(=O)(=O)c2ccccc2C#N)C1=O 90030843 HTEUROGQDSWZFV-JTQLQIEISA-N 307.331 -0.016 30 20 DBED N#CCCN(CCN1CCOCC1)CCN1C(=O)CCC1=O 177028180 QHIJHNIAASZCQZ-UHFFFAOYSA-N 308.382 -0.317 30 20 DBED N#Cc1ccc(S(=O)(=O)NC2(C(=O)O)CCOCC2)cn1 228698762 AOXFMERRYZEIJV-UHFFFAOYSA-N 311.319 -0.135 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)c2cc(C)nn2C)CC1 264190355 QDVQGQGAKAODPT-UHFFFAOYSA-N 317.393 -0.374 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N1CCN(c2ncccn2)CC1 283606769 UCCWCJMAMOKQIL-GFCCVEGCSA-N 324.410 -0.065 30 20 DBED N#Cc1c(F)cccc1S(=O)(=O)N1C[C@@H](O)[C@H](CO)C1 317653432 LXRSCTWUKQMWKV-GZMMTYOYSA-N 300.311 -0.329 30 20 DBED O=C1CN(/C(O)=N/[C@@H]2CCS(=O)(=O)C2)CCN1C1CC1 328719606 QFUPNQKEFSHRQF-SECBINFHSA-N 301.368 -0.606 30 20 DBED CN1C(=O)C[C@H](C(=O)N2CCO[C@@H](C#N)C2)[C@@H]1c1ccnn1C 328828173 SXAKKROKXXKXPY-COPLHBTASA-N 317.349 -0.310 30 20 DBED Cn1cc(N2CCN(C(O)=Nc3nccn(C)c3=O)CC2)cn1 329415012 FVNFUZAXXCAGSL-UHFFFAOYSA-N 317.353 -0.119 30 20 DBED C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)[C@@H]1CCOC1 329564035 NRCIWGQGFDVTBW-WDEREUQCSA-N 309.409 -0.220 30 20 DBED CN1CCO[C@@H]2CN(/C(O)=N/C[C@@H]3CC[C@@H](C(=N)O)O3)C[C@@H]21 329741883 WFJAYPYDLGCBIB-FIQHERPVSA-N 312.370 -0.002 30 20 DBED COC(=O)[C@@H]1CN([C@@H](C)C(=O)N/C(O)=N/C(C)C)CCO1 330514021 DHNPHWIWPIITHK-UWVGGRQHSA-N 301.343 -0.313 30 20 DBED CN(C)S(=O)(=O)NCC/N=C(/O)NC[C@H]1CCCCO1 331245160 SYPCMBCOFFPVAI-SNVBAGLBSA-N 308.404 -0.545 30 20 DBED CO[C@H]1CCCC[C@@H]1N/C(O)=N/CCNS(=O)(=O)N(C)C 331357155 SUWQDAROWLIFOR-QWRGUYRKSA-N 322.431 -0.156 30 20 DBED CCN(CCNS(=O)(=O)N1CCO[C@@H](C#N)C1)C(C)C 337171723 GADVLIYYUMOTMP-LBPRGKRZSA-N 304.416 -0.225 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N[C@@H]2C[C@@H]3OCCC[C@H]32)CCO1 337179728 LSFBZAFSUCXJLB-KXNHARMFSA-N 301.368 -0.387 30 20 DBED C=CCN1CC[C@@H](N(C)CC(=O)N(C)CC(=O)OCC)C1=O 337204359 HPVMWSOICARRBN-GFCCVEGCSA-N 311.382 -0.273 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N1CC[C@H](S(C)(=O)=O)C1 337763838 LNRISXZCJBPQQW-ZJUUUORDSA-N 309.413 -0.416 30 20 DBED COC(=O)CN(CC#N)C(=O)c1cccc(OCC(N)=O)c1 348801249 RUIRCNQPMAHQNZ-UHFFFAOYSA-N 305.290 -0.311 30 20 DBED C=C[C@H](CO)NC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cnn(C)c1C 356860082 WYTCAGHYGNOMQM-SUNKGSAMSA-N 306.366 -0.089 30 20 DBED CC(C)NC(=O)C(=O)N1CCN(C(=O)NCC(C)(C)C#N)CC1 358617966 MNMRKQZKJYTAML-UHFFFAOYSA-N 323.397 -0.085 30 20 DBED N#CCCS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 408190844 BAXXKULKMLNTPF-NSHDSACASA-N 301.368 -0.447 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N1C[C@@H](C)O[C@@H](COC)C1 410907608 DVJMSEWEYIKLAD-CHWSQXEVSA-N 314.382 -0.090 30 20 DBED CN1C(=O)CC[C@@H](NS(=O)(=O)CC(C)(C)CC#N)C1=O 425219554 HADOQGBXPPKYML-SECBINFHSA-N 301.368 -0.007 30 20 DBED C=CCN(C(=O)C(=O)Nc1ncn(CC(=O)OCC)n1)C1CC1 425753881 HBXQPANDBNODHB-UHFFFAOYSA-N 321.337 -0.043 30 20 DBED C[C@H]1CN(S(=O)(=O)N(C)C[C@@H](C)C#N)C[C@@H](C)N1CCO 451886859 FADNLVNNTKPOMZ-RWMBFGLXSA-N 318.443 -0.290 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](CC)[C@@H](O)CC)C1=O 456582673 GLBWZRHZXNRWBY-UWVGGRQHSA-N 311.338 -0.371 30 20 DBED C=CCC[C@H](NC(=O)CN(C)S(C)(=O)=O)C(=O)OCC 456636795 YNCFHAQOKDJYES-JTQLQIEISA-N 306.384 -0.108 30 20 DBED CN(CCC#N)S(=O)(=O)N(C)[C@H]1CCN(S(C)(=O)=O)C1 490107223 LVMKOKRHRGTREG-JTQLQIEISA-N 324.428 -0.958 30 20 DBED COC(=O)NCC(=O)NS(=O)(=O)CC1(C#N)CCCC1 494948025 AKVPQVWXDSHFOL-UHFFFAOYSA-N 303.340 -0.128 30 20 DBED N#CC1(CNC(=O)N2CCS(=O)(=O)[C@@H](C(=O)O)C2)CC1 568621566 VBAONZVLMZFRJO-MRVPVSSYSA-N 301.324 -0.817 30 20 DBED C=CCCC[C@H](C)NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 579253774 JYXCWWLGTOYZKQ-YNEHKIRRSA-N 322.409 -0.382 30 20 DBED CCC[C@@H](O)[C@H](NS(=O)(=O)c1cncc(C#N)c1)C(=O)O 579299900 LEUSQAWXPWOGAF-MNOVXSKESA-N 313.335 -0.154 30 20 DBED N#CCNC(=O)COC(=O)CN1CC(=O)Nc2ccccc21 733610940 FVENYCDNCYZRRJ-UHFFFAOYSA-N 302.290 -0.372 30 20 DBED C#CCNC(=O)CN1CCN(Cc2cc(C(=O)O)co2)CC1 736076113 KWNKVMNAXMLIRV-UHFFFAOYSA-N 305.334 -0.155 30 20 DBED O=C(O)Cn1cc(C=NNC(=S)NC[C@H]2CCCO2)nn1 768475724 ARQVPSQJVDBCKK-SECBINFHSA-N 312.355 -0.660 30 20 DBED Cn1cc(S(=O)(=O)NN=CC2CCCC2)c(=O)n(C)c1=O 771897666 QCWIBYRBCMAHCK-UHFFFAOYSA-N 314.367 -0.462 30 20 DBED C=CCN1CC[C@H](N(C)CN2C(=O)C(=O)N(C(C)C)C2=O)C1=O 799143954 RTDGREZMODBGIY-NSHDSACASA-N 322.365 -0.138 30 20 DBED CC(C)(C)[S@@](=O)CCNC(=O)NCCn1cnc(C#N)n1 805126037 DHTUPMZFPAILJH-NRFANRHFSA-N 312.399 -0.004 30 20 DBED CNC(=O)[C@H](O)CNS(=O)(=O)c1cc(C#N)ccc1Cl 809835339 CBMJFBFJEKLAGS-SECBINFHSA-N 317.754 -0.403 30 20 DBED C#CCO[C@H](C)C(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1 825449905 GSDWTUVCBOOZCE-GFCCVEGCSA-N 316.361 -0.133 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N[C@@H]1CCN(C(C)C)C1=O 828224820 LKALTPQRQBXXLP-CYBMUJFWSA-N 323.393 -0.390 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)CSCCC)CC1 831556943 XNKWXTFLMFPYFZ-UHFFFAOYSA-N 319.452 -0.259 30 20 DBED Cc1nc2ncnn2c(C)c1CCC(=O)N[C@H]1CNC[C@H]1C#N 834511554 MGJGDKNNDKWTDD-YPMHNXCESA-N 313.365 -0.098 30 20 DBED C#CCO[C@H](C)C(=O)OCC(=O)NC(=O)N[C@@H](C)COC 837853509 WFNINHDPTNWJDU-VHSXEESVSA-N 300.311 -0.571 30 20 DBED CS(=O)(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1CCCN(O)C1=O 848137202 APONWUSHNLHKAM-NXEZZACHSA-N 319.383 -0.703 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N(C)C[C@H](O)C(F)(F)F 850712527 MEEAPELZBOOLEX-JTQLQIEISA-N 324.299 -0.134 30 20 DBED CCC1(Cn2cc(C(=O)N[C@@H]3CCCN(O)C3=O)nn2)COC1 854649018 OMNGEBYUMFTQHZ-SNVBAGLBSA-N 323.353 -0.185 30 20 DBED CN(C)S(=O)(=O)CCS(=O)(=O)N1CCC(C)(C#N)CC1 882053622 XHSVZCROEBQYRP-UHFFFAOYSA-N 323.440 -0.167 30 20 DBED COC(=O)COC(=O)CNS(=O)(=O)c1ccccc1C#N 916603882 NSJLFULBHQERGC-UHFFFAOYSA-N 312.303 -0.447 30 20 DBED C#CCN1CCC[C@H](NC(=O)[C@]2(OC)CCS(=O)(=O)C2)C1 923595336 IRFABKKJUZFSEL-JSGCOSHPSA-N 314.407 -0.596 30 20 DBED C=CC(C)(C)C(=O)N1CCO[C@@H](CNC(=O)[C@H]2CNC(=O)N2)C1 944749447 XINFYPLRIHLROI-WDEREUQCSA-N 324.381 -0.776 30 20 DBED Cn1cc(C(=O)N2CCC3(CC2)CN(CC#N)CCO3)nc1O 949463467 NTDVOHRTDGOBMI-UHFFFAOYSA-N 319.365 -0.044 30 20 DBED O=C1NCCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)C#CC1CC1 950496509 IEWSQRWESBTQCV-CHWSQXEVSA-N 303.362 -0.357 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H](NC(=O)CN2CCCC2=O)C1 951865720 XUZVKKJQEXLHRZ-RYUDHWBXSA-N 306.366 -0.124 30 20 DBED CN1CC[C@H](C(=O)N(C)C2CN(C(=O)C#CC3CC3)C2)CC1=O 954716431 IPDBCPAHSXKJDN-ZDUSSCGKSA-N 317.389 -0.063 30 20 DBED C#CCN1C[C@H](CNC(=O)c2cnc3n2CCOC3)[C@@H](O)C1 958151505 JKLUZFRXJBSYHN-AAEUAGOBSA-N 304.350 -0.931 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2cnccc2N(C)C)C1 958598593 KLGMRZDNSZCIQH-DOMZBBRYSA-N 302.378 -0.197 30 20 DBED N#Cc1ccc(CN2C[C@H]3[C@H](NC(=O)C(N)=O)[C@H]3C2)cc1F 961633716 BFFLIAMIYXJDBS-PJXYFTJBSA-N 302.309 -0.271 30 20 DBED Cc1nc(O)nc(O)c1CC(=O)N[C@H]1[C@@H]2CN(CC#N)C[C@@H]21 962130381 MZLOMIQZFIYFCS-IAZYJMLFSA-N 303.322 -0.691 30 20 DBED CC#CCN1C[C@H]2[C@H](NC(=O)Cn3c(C)cc(C)nc3=O)[C@H]2C1 962159051 RYMZUSFHDBLHDY-FOLVSLTJSA-N 314.389 -0.070 30 20 DBED C#Cc1ccc(C(=O)NC2[C@@H]3CN(Cc4nnnn4C)C[C@@H]23)cn1 962338713 CZWIYRZBMDJEHB-CHWSQXEVSA-N 323.360 -0.553 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CN(CC(=O)NC)CC[C@H]2C)nn1 968406189 YLDWLQIMNHZSNX-NEPJUHHUSA-N 320.397 -0.350 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)C3(C(N)=O)CC3)C[C@@H]2O)C1 970398743 LKLYGAFJJFHTCA-MNOVXSKESA-N 321.377 -0.704 30 20 DBED C#Cc1cncc(C(=O)N[C@H](C)C2CN([C@H](C)C(N)=O)C2)c1 970402279 WOHWLIGOFKJRRJ-GHMZBOCLSA-N 300.362 -0.013 30 20 DBED C=CCOc1cccnc1C(=O)N1CC[C@@H](NCC(N)=O)C1 970445358 CTJLPXFATWLODQ-LLVKDONJSA-N 304.350 -0.064 30 20 DBED O=C1CC[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)C#CC4CC4)[C@@H]3C2)N1 972083728 GMBMNSHWBOTYRI-HZSPNIEDSA-N 315.373 -0.262 30 20 DBED C#CCCN1CCO[C@@]2(CCN(C(=O)[C@H]3CCC(=O)N3)C2)C1 972302479 UVQZCROGDYUKHM-CJNGLKHVSA-N 305.378 -0.408 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)[C@H]3CCCN3C(C)=O)C2)C1 972693244 XEYRIZYRSHWHGX-WBVHZDCISA-N 319.405 -0.066 30 20 DBED C=CCN1C[C@H]2[C@H](CNC(=O)[C@@H]3COCCN3C(C)=O)[C@H]2C1 979092467 POWJSWIYLXVOCC-XQLPTFJDSA-N 307.394 -0.286 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCCN([C@@H](C)C(=O)NC)CC1 981364968 CXBRSKSBIUMRJJ-GJZGRUSLSA-N 320.437 -0.247 30 20 DBED CN(C(=O)c1nnn(C)n1)[C@@H]1CCCN(C(=O)C#CC2CC2)C1 984185266 KSIRJKWJUSFUEO-GFCCVEGCSA-N 316.365 -0.314 30 20 DBED C#CCN[C@@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)[C@@H]1C 987355892 SNZBYEDWUZONJS-NXEZZACHSA-N 300.322 -0.757 30 20 DBED C#CCN[C@@H]1CCC[C@@H]2CN(C(=O)CN3CCOCC3=O)C[C@@H]21 992718143 XQEUYJVTXHBDFC-QLFBSQMISA-N 319.405 -0.305 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)c2cn([C@@H]3CCOC3)nn2)C1 999711053 IUGMBBACURCGJF-GXSJLCMTSA-N 318.337 -0.660 30 20 DBED CC(=O)N1CCNC(=O)CCN(C(=O)c2cc(C#N)c[nH]2)CC1 1001738694 FHWIEUAWJRSZQY-UHFFFAOYSA-N 317.349 -0.303 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C(=O)c2nc3ncccn3n2)CC1 1012160376 YSTPQAAIDQEVGA-SNVBAGLBSA-N 313.321 -0.432 30 20 DBED Cc1nnc(CC(=O)NC2[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]23)o1 1013041370 KZOIGGSLKIEGIN-VXGBXAGGSA-N 314.345 -0.093 30 20 DBED Cc1nn(CC(=O)N[C@H]2CC23CCN(CC#N)CC3)c(=O)n1C 1016954663 IWIWCUPLOULPMR-LBPRGKRZSA-N 318.381 -0.616 30 20 DBED Cn1nnnc1CN[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 1018737782 HQRPLGULWWYPGX-JTQLQIEISA-N 300.326 -0.586 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCN(C(=O)c3cnn(C)c3N)C2)C1 1019363339 RSYADZLDLSYRCW-JTQLQIEISA-N 316.365 -0.164 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H](N[C@H](CC)C(N)=O)C1 1020250537 HUESTCKVDLCTEU-SYQHCUMBSA-N 306.410 -0.415 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CN(C(=O)CC3CC3)C[C@H]2O)nn1 1023769103 JBSSGWVAFBMFCX-DGCLKSJQSA-N 319.365 -0.434 30 20 DBED C=CCn1cc(C(=O)N2C[C@@H]3CC[C@H](NCCO)[C@H]3C2)nn1 1026372056 SBTINUIXBMYGPH-AVGNSLFASA-N 305.382 -0.103 30 20 DBED N#Cc1ccc(C(=O)NC[C@H]2CCN([C@H]3CCNC3=O)C2)[nH]1 1028491164 STVANWJHWJPUQG-MFKMUULPSA-N 301.350 -0.173 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2CCN([C@H](CC)C(N)=O)C2)nn1 1028852685 MDHFXNYAPOHZSF-WCQYABFASA-N 320.397 -0.220 30 20 DBED C=CCCn1cc(C(=O)NC2CN(Cc3ncnn3C)C2)nn1 1031079700 HBNFHYROEJSRQP-UHFFFAOYSA-N 316.369 -0.403 30 20 DBED C#CCCN1CC(NC(=O)c2cn(C[C@H]3CCOC3)nn2)C1 1031164117 CTXIUAQJWFVZAX-GFCCVEGCSA-N 303.366 -0.248 30 20 DBED C=CCN1CC[C@H](N2C[C@@H]3C[C@H]2CN3C(=O)c2nc[nH]n2)C1=O 1032690081 RYQNXBUYAICZLG-SRVKXCTJSA-N 316.365 -0.510 30 20 DBED C=CCN1CCO[C@H](CNC(=O)[C@@H]2CCc3nn[nH]c3C2)C1 1035572793 FJJCJUZVCZAWNY-VXGBXAGGSA-N 305.382 -0.087 30 20 DBED C#CCN[C@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C[C@@H]1CC 1037947069 PQEYRKUONQLKPR-AAEUAGOBSA-N 305.378 -0.111 30 20 DBED C[C@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)c2ccn(C)c2)C1 1040763971 SXTFTOFGOJIBTN-ABAIWWIYSA-N 304.350 -0.122 30 20 DBED N#Cc1nccnc1N1C[C@@H](O)[C@H](NC(=O)c2ccnnc2)C1 1041357362 DZKDHAIEYAXLIU-VXGBXAGGSA-N 311.305 -0.882 30 20 DBED Cc1nn(CC(=O)N2CC[C@@H]3CCN(CC#N)[C@H]3C2)c(=O)n1C 1042331410 BOSNASVEOZOIIF-STQMWFEESA-N 318.381 -0.663 30 20 DBED C#CCCCCC(=O)N1CC(O)(CNC(=O)CCOCC#C)C1 1043033220 ULPIZVQOXBWLDC-UHFFFAOYSA-N 320.389 -0.091 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)[C@H]2CC23CCC3)C1 1043072603 CWVFGFFLUPGHNV-CYBMUJFWSA-N 320.389 -0.094 30 20 DBED C=C(C)CCC(=O)NCC1(O)CN(C(=O)c2cnn(C)n2)C1 1043310947 MFRYQPPBZMAIBZ-UHFFFAOYSA-N 307.354 -0.526 30 20 DBED C=C(C)CCC(=O)NCC1(O)CN(C(=O)[C@H]2CCN(C)C2)C1 1043320141 NORJZGIVECAGAS-ZDUSSCGKSA-N 309.410 -0.016 30 20 DBED N#Cc1nccc(N2C[C@H](O)[C@H](NC(=O)c3cnco3)C2)n1 1044361655 MVPKUCKSQVPQIY-BDAKNGLRSA-N 300.278 -0.684 30 20 DBED C#CCN1CC[C@](C)(NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 1046318437 CTCXSHZSXVVMDK-WBMJQRKESA-N 315.377 -0.024 30 20 DBED C[C@]1(NC(=O)[C@@H]2CN3CC4CC3(CO2)C4)CCN(CC#N)C1 1046501070 IQWXHQQVNLKROE-AYDDYBHNSA-N 304.394 -0.046 30 20 DBED C=CCOCC(=O)N(C)[C@H]1CN(C(=O)c2coc(C)n2)C[C@@H]1O 1048554949 LXYLCLGKMPCYOA-STQMWFEESA-N 323.349 -0.171 30 20 DBED N#CCN1C[C@H]2CN(C(=O)[C@H]3CCCCS3(=O)=O)C[C@H]2C1 1048858941 RUKCVIGBFDWVMW-FRRDWIJNSA-N 311.407 -0.133 30 20 DBED N#CCN1C[C@H]2CN(C(=O)[C@@H]3CCCS(=O)(=O)C3)C[C@H]2C1 1049092393 CJTXFDMIZPHFQP-UPJWGTAASA-N 311.407 -0.275 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H]([C@@H](C)NC(=O)C(F)F)C1 1050489257 AIECFQNJJNQJLJ-ZJUUUORDSA-N 315.320 -0.256 30 20 DBED N#CCN1CCOC[C@H]1CNC(=O)c1cnn2c1OCCC2 1051004808 PZTZBMVPEBXYKG-LLVKDONJSA-N 305.338 -0.380 30 20 DBED N#Cc1nccnc1NC1CC(CNC(=O)[C@H]2CCC(=O)N2)C1 1051874066 UVIDJSIPOKRWRC-VQXHTEKXSA-N 314.349 -0.066 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@H](N3CCN(CCO)CC3)C2)[nH]1 1052012401 HGXJQFFXNUNHNX-AWEZNQCLSA-N 317.393 -0.289 30 20 DBED C[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1CNC(=O)CSCC#N 1052259963 UKLYBHWLMOCGDC-NXEZZACHSA-N 312.395 -0.671 30 20 DBED C[C@@H](C(=O)N1CCOC2(CN(CC#N)C2)C1)N1CCCCC1=O 1053541030 PYRXCHVHKDWQJD-ZDUSSCGKSA-N 320.393 -0.176 30 20 DBED CC[C@H]1CCCN1C(=O)C(=O)N[C@@H]1COC2(C1)CN(CC#N)C2 1053974043 FURCECXIYNGRTD-STQMWFEESA-N 320.393 -0.130 30 20 DBED C=C[C@@H](C)[C@@H](C)C(=O)NCCN1CCC(NC(=O)C(N)=O)CC1 1055618153 FTDDWXCNCWVQEY-VXGBXAGGSA-N 324.425 -0.373 30 20 DBED C[C@@]1(C(=O)N2CCN(c3ccnc(C#N)n3)CC2)CCC(=O)N1 1056001248 FMCGRNFPGIJUCX-HNNXBMFYSA-N 314.349 -0.334 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@](CO)(NC(=O)c2cnn[nH]2)C1 1056003633 YOQWCYJUZCYHRB-RNCFNFMXSA-N 306.326 -0.952 30 20 DBED N#Cc1ccc(N2C[C@H]3C(NC(=O)[C@H]4C[C@H]4C(N)=O)[C@@H]3C2)nn1 1056407437 SEOPIKDBUGPFJW-LMLFDSFASA-N 312.333 -0.980 30 20 DBED Cc1cnn(CC(=O)N2CC[C@@H](N=c3cc[nH]c(C#N)n3)C2)c1 1056580746 KWYFISSODFBVBA-GFCCVEGCSA-N 311.349 -0.012 30 20 DBED C=CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)CCOCC 1057185482 OAQUCDNJGZPGTN-ZDUSSCGKSA-N 316.398 -0.059 30 20 DBED Cc1ccc(C(=O)N(CCO)CCNC(=O)C#CC2CC2)nn1 1057542825 NHVYISJSBNIWDR-UHFFFAOYSA-N 316.361 -0.251 30 20 DBED C=CCCOCC(=O)N(CCO)CCNC(=O)[C@@H]1CCCO1 1057919277 UJHLDFLFMRAEPQ-ZDUSSCGKSA-N 314.382 -0.305 30 20 DBED C=C[C@](C)(CC)C(=O)NCCN(CCO)C(=O)c1cnn[nH]1 1058056934 OXTOPKCEGLZXBY-CQSZACIVSA-N 309.370 -0.042 30 20 DBED CN1C[C@H](C(=O)N[C@H]2CCN(c3cncc(C#N)n3)C2)CC1=O 1058577557 AZMWZMQVFOSXKG-MNOVXSKESA-N 314.349 -0.479 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 1058659455 ZJHCMKYCHZYRGJ-LPWJVIDDSA-N 309.366 -0.349 30 20 DBED N#CCSCC(=O)NCCN(CCO)C(=O)[C@H]1CC12CC2 1058939963 WUXFCHZFMCQZEJ-LLVKDONJSA-N 311.407 -0.020 30 20 DBED CC(=O)N1CC(C(=O)N[C@H]2C[C@H](Nc3nccnc3C#N)C2)C1 1059198781 CFLVTKBYJCGTMG-HAQNSBGRSA-N 314.349 -0.114 30 20 DBED Cn1ncc(C(=O)N[C@H]2C[C@@H](N=c3cc[nH]c(C#N)n3)C2)c1N 1059609561 ASXYBGPHDOGBHE-DTORHVGOSA-N 312.337 -0.541 30 20 DBED Cn1nnc(C(=O)N2CC[C@@H](CNc3nccnc3C#N)C2)n1 1060962405 BJWODEXPSBXCNM-VIFPVBQESA-N 313.325 -0.554 30 20 DBED CC(=O)N(C)CC(=O)N1CCOC[C@@H]1CNC(=O)C#CC1CC1 1061569379 DJTAYODUYDFAHK-AWEZNQCLSA-N 321.377 -0.778 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(NC(=O)CC(=O)N(C)C)CCC1 1063043864 VMTTWWPJRJQAEK-LBPRGKRZSA-N 323.393 -0.342 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H]1CCCN1C(=O)[C@H]1COC(=O)N1 1064902920 WYFVLIQKEWHIAC-WCQYABFASA-N 315.333 -0.114 30 20 DBED N#CCSCC(=O)NC[C@@H]1CN(C(=O)c2ccon2)CCO1 1064911577 IMPWCDOATBQIBM-SNVBAGLBSA-N 324.362 -0.111 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2ccn(C)n2)CCO1 1065170080 VMKBNZVYVFAVCN-LBPRGKRZSA-N 322.365 -0.420 30 20 DBED C=C(Cl)C(C)(C)C(=O)NC[C@@H]1CN(C(=O)C(N)=O)CCO1 1065550229 HGAKAKVNHPLVSN-SECBINFHSA-N 317.773 -0.406 30 20 DBED CNC(=O)NCCC(=O)N1CCC[C@@H](NC(=O)[C@@H](C)C#N)CC1 1066473898 AZTWZJLDIBSLLG-NWDGAFQWSA-N 323.397 -0.038 30 20 DBED C[C@@H]1CN(c2ncc(C#N)cc2F)CC[C@@H]1NC(=O)C(N)=O 1067431131 SPMSRGLBALAGJL-KCJUWKMLSA-N 305.313 -0.091 30 20 DBED N#Cc1cc(C(=O)NC[C@H]2CN(c3ncccn3)C[C@H]2O)c[nH]1 1067659707 ZJYQDMDIPSRRPK-WCQYABFASA-N 312.333 -0.097 30 20 DBED C[C@H]1C[C@H](CNc2nccnc2C#N)CN1C(=O)CC(N)=O 1068303427 PLTIDMUBQZMRAT-VHSXEESVSA-N 302.338 -0.127 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1COC2(C1)CN(C(=O)c1n[nH]cc1F)C2 1069009398 ZDOJBJAJKSWALM-IUCAKERBSA-N 321.312 -0.192 30 20 DBED Cc1cc(C#N)nc(N2CC[C@@]3(NC(=O)C(N)=O)CCC[C@H]23)n1 1069282047 GZJIVXUAUBTYMT-NHYWBVRUSA-N 314.349 -0.240 30 20 DBED CN(C(=O)[C@H]1CNC(=O)N1)C1CC(Nc2ccc(C#N)nn2)C1 1069792485 TWIMKTPPLKEHQM-VQXHTEKXSA-N 315.337 -0.569 30 20 DBED CC#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2cnc(C)[nH]2)C1 1069903717 MBJWTULSQLARFO-KGLIPLIRSA-N 313.365 -0.012 30 20 DBED C#CCOCCC(=O)N1CCC[C@@H](NC(=O)Cc2nc[nH]n2)C1 1070729415 KQRQDIWTJZBTIO-GFCCVEGCSA-N 319.365 -0.506 30 20 DBED C#CCOCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)Cn2ccnc2)C1 1072094605 UXWVCGYBIBGRAP-KGLIPLIRSA-N 318.377 -0.114 30 20 DBED C#CCCCC(=O)N[C@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1C 1072164031 COHOYLYQBBDWNL-RYUDHWBXSA-N 304.354 -0.560 30 20 DBED CC(=O)N1CC[C@@H](C(=O)NC[C@@H]2CN(CC#N)CCCO2)C1 1073871541 JEXGBEYFJVEZGQ-ZIAGYGMSSA-N 308.382 -0.415 30 20 DBED CC#CCN1CCO[C@H]2CCN(C(=O)Cc3nc[nH]n3)C[C@H]21 1074379859 KGXVCQSFYAANAW-OLZOCXBDSA-N 303.366 -0.328 30 20 DBED O=C(C#CC1CC1)NCC1(O)CCN(C(=O)[C@H]2CCOC2)CC1 1074506448 MOCQEGDDKXZOFF-AWEZNQCLSA-N 320.389 -0.094 30 20 DBED C=CCCO[C@H](C)C(=O)NCC[C@H](C)NC(=O)CNC(N)=O 1075845704 AFPIHFMGVNGXIV-WDEREUQCSA-N 314.386 -0.353 30 20 DBED CC#CCN1C[C@@H]2CCN(C(=O)[C@H]3CCS(=O)(=O)C3)[C@@H]2C1 1076010182 LZADEGKDVIEVLD-MELADBBJSA-N 310.419 -0.023 30 20 DBED C#CCOCCC(=O)N[C@@H](C)CCNC(=O)C1(NC(N)=O)CC1 1076204731 VUMYYWMEWFNLCK-NSHDSACASA-N 324.381 -0.762 30 20 DBED C#CCO[C@@H](C)C(=O)NCC[C@H](C)NC(=O)c1nnn(C)c1C 1076510865 WPMVTJHKHYMJGI-JQWIXIFHSA-N 321.381 -0.214 30 20 DBED C=CCCO[C@H](C)C(=O)N[C@@H](C)CCNC(=O)Cn1ncnn1 1076649495 MQJPCCIYPHNVOH-NWDGAFQWSA-N 324.385 -0.335 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CN(C[C@H](F)CC)C[C@H]2O)nn1 1077801270 JVUSOPJJAGFILX-NQBHXWOUSA-N 311.361 -0.013 30 20 DBED C[C@@H](CCNC(=O)[C@H](C)C#N)NC(=O)C1CS(=O)(=O)C1 1078136507 NUSWFOZBXLQIBN-BDAKNGLRSA-N 301.368 -0.798 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)c1n[nH]cc1F 1078247595 DWJUQXFIQGZXOY-VIFPVBQESA-N 323.328 -0.687 30 20 DBED Cn1cc(CNC[C@@H]2CN(C(=O)C#CC3CC3)CCCO2)nn1 1078398979 VXOUVUCSGIOCOB-OAHLLOKOSA-N 317.393 -0.064 30 20 DBED Cc1c[nH]c(CC(N)=O)c1C(=O)N[C@@H]1CN(CC#N)C[C@H]1C 1080482698 GSQVUJYIGYZMTJ-ZYHUDNBSSA-N 303.366 -0.075 30 20 DBED N#CCSCC(=O)N1C[C@H](CNC(=O)c2cc[nH]n2)[C@@H](O)C1 1081286334 KDDAVTDYNNCLIU-ONGXEEELSA-N 323.378 -0.784 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)CCN(C)C)C[C@@H]1O 1081344421 PVPJLNKOUBWTAV-OLZOCXBDSA-N 313.398 -0.924 30 20 DBED C#CCCCC(=O)N1C[C@H](CNC(=O)c2nonc2C)[C@@H](O)C1 1081580411 ODYKVEVHERGRNN-RYUDHWBXSA-N 320.349 -0.269 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cc2ncccn2n1 1083229201 OVQJKPFLTYIXCP-QWHCGFSZSA-N 312.333 -0.222 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)Cc2nc(C3CC3)nn2C)C1 1084077312 OOACKNNSYBWDOL-OLZOCXBDSA-N 317.393 -0.580 30 20 DBED C=CCCN1CC[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)[C@H]1C 1088896036 LLENNNVXTZFVIZ-YPMHNXCESA-N 320.393 -0.147 30 20 DBED CNC(=O)NCC(=O)N[C@H](C)C[C@H](C)N=c1cc[nH]c(C#N)n1 1089499216 LOBYNLWAEQVQHA-VHSXEESVSA-N 319.369 -0.606 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2cccc(C(N)=O)c2)[C@H](O)C1 1090364453 JLAZGRSKAIMLRH-LSDHHAIUSA-N 315.373 -0.026 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2coc(C(N)=O)c2)[C@H](O)C1 1090449171 NUFBLGGFULLIAG-NWDGAFQWSA-N 305.334 -0.433 30 20 DBED Cc1nn(C)c(=O)c(C(=O)N[C@@H]2CCN(CC#N)C[C@@H]2O)c1C 1090478801 HTRPMTYPSLDMRR-NEPJUHHUSA-N 319.365 -0.914 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2ccc(=O)n(CCC)n2)[C@H](O)C1 1090796091 NIHVBPQJFCTUMC-TZMCWYRMSA-N 318.377 -0.549 30 20 DBED Cc1cc(C#N)nc(N2C[C@H](O)[C@H](NC(=O)C#CC3CC3)C2)n1 1091098786 LKBAHCQBSAWYFO-KGLIPLIRSA-N 311.345 -0.264 30 20 DBED N#CCNC1CC(CNC(=O)c2ccc(-n3cnnn3)cn2)C1 1091161515 YFEZNZJQBGRGHH-UHFFFAOYSA-N 312.337 -0.321 30 20 DBED C#CCN1C[C@@H]2CN(C(=O)C3CC(=O)NC(=O)C3)C[C@]2(C)C1 1092098412 SOPGPEFKLLMZRJ-WBMJQRKESA-N 303.362 -0.547 30 20 DBED C#CCCN1C[C@@H]2CN(C(=O)CN3C(=O)CCC3=O)C[C@]2(C)C1 1092262001 BJIZGOFXUNYMJO-DYVFJYSZSA-N 317.389 -0.061 30 20 DBED C=CCN1CC2(C[C@@H](NC(=O)[C@@H]3CNC(=O)N3)c3nccn32)C1 1092391301 SLWWKQFXZVPNNH-MNOVXSKESA-N 316.365 -0.678 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)[C@]3(C)CNC(=O)C3)CC2=O)C1 1094764161 QRHKDKJMWXUWNE-ZBEGNZNMSA-N 320.393 -0.900 30 20 DBED CCC(=O)NCC(=O)N1CC[C@@H](N(C)c2nccnc2C#N)C1 1095100414 WAFVPEMQZIEOFM-LLVKDONJSA-N 316.365 -0.088 30 20 DBED CC(=O)NCC(=O)N1CCC[C@@H](N=c2cc[nH]c(C#N)n2)C1 1095272820 IKDQBJCVCAKKEH-LLVKDONJSA-N 302.338 -0.691 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1C[C@@H](NC(=O)CCn2cnnn2)C1 1097208353 NNQPRAYAYJTMFD-TXEJJXNPSA-N 312.337 -0.489 30 20 DBED N#Cc1nccc(N2CCCC[C@@H]2CNC(=O)CNC(N)=O)n1 1097392154 BMTSUSJZHAKORX-SNVBAGLBSA-N 317.353 -0.508 30 20 DBED Cc1cc(C#N)nc(N[C@H](C)CNC(=O)[C@H](C)NC(N)=O)n1 1097773518 FYSPTAZAKNQEBO-BDAKNGLRSA-N 305.342 -0.370 30 20 DBED CC#CCN(CCO)C1CCN(C(=O)[C@H]2CCNC2=O)CC1 1098448877 VHNIOJXCDCTGQM-AWEZNQCLSA-N 307.394 -0.569 30 20 DBED CC(=O)NCC(=O)N1CCC[C@@H](N(C)c2cncc(C#N)n2)C1 1098668435 ZURVAUVUFAPMFH-CYBMUJFWSA-N 316.365 -0.088 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(Cc2ncccn2)C[C@@H]1O 1099741465 UJMCLLHKPHBFFQ-STQMWFEESA-N 306.366 -0.269 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)CCc2nc[nH]n2)[C@@H](O)C1 1099764489 WQGNLSZBDVTLFO-STQMWFEESA-N 323.397 -0.509 30 20 DBED COCCOCCN1CC[C@@H](NC(=O)C#CC2CC2)[C@@H](O)C1 1099826344 KBSZYQQWTFZYOJ-CABCVRRESA-N 310.394 -0.386 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCN(Cc2cncn2C)C[C@@H]1O 1099833468 WMJQBFBBZMZTAQ-CABCVRRESA-N 320.393 -0.489 30 20 DBED C=C(C)CCC(=O)N[C@@H]1CCN(Cc2nnn(C)n2)C[C@@H]1O 1099855960 PXIYBHRJCRBHNK-NEPJUHHUSA-N 308.386 -0.382 30 20 DBED CN1CCO[C@H](C(=O)NCCN(C)c2cncc(C#N)n2)C1 1099996300 FXCNLUHAKXNQST-LBPRGKRZSA-N 304.354 -0.769 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)C2(C(=O)N(C)C)CC2)[C@@H](O)C1 1100072035 OCFYNTLIMMVBDH-STQMWFEESA-N 309.410 -0.018 30 20 DBED CN(CCNC(=O)c1coc(C(N)=O)c1)c1ccnc(C#N)n1 1100244477 OVNSRAGPVDCDCU-UHFFFAOYSA-N 314.305 -0.094 30 20 DBED CCN(CCNC(=O)COCCOC)c1ccc(C#N)nn1 1100472921 QNEAFCOXFMHHER-UHFFFAOYSA-N 307.354 -0.046 30 20 DBED N#Cc1nccc(N2CCC[C@H]2CNC(=O)Cn2cnnn2)n1 1100776767 QWNDCHZYZVNCAA-JTQLQIEISA-N 313.325 -0.880 30 20 DBED CC(=O)N(C)CC(=O)NC[C@@H]1CCN(c2ccc(C#N)nn2)C1 1100958650 AMRRZGJBUDBMNU-LBPRGKRZSA-N 316.365 -0.231 30 20 DBED CCCN(CCNC(=O)[C@H]1CNC(=O)N1)c1ccnc(C#N)n1 1101235725 FMXJUKWIMKRHFD-SNVBAGLBSA-N 317.353 -0.638 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)CNC(=O)CC)c3nccn32)C1 1101617361 OJUBIIDRWDNACC-GFCCVEGCSA-N 315.377 -0.386 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)C#CC2CC2)C1 1101951316 KMUQCRFQKQOHDB-UKRRQHHQSA-N 301.390 -0.167 30 20 DBED CC[C@H](CNC(=O)c1cnc(O)n1C)N=c1cc[nH]c(C#N)n1 1103259168 FPRRPKIJNUUNMC-SECBINFHSA-N 315.337 -0.170 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1CCNC(=O)c1nc[nH]n1 1103547588 DJYUXPPVXDJJTQ-GHMZBOCLSA-N 319.369 -0.868 30 20 DBED C[C@@H](CN=c1cc[nH]cc1C#N)CNC(=O)CCNC(N)=O 1103968116 XSADYTLSOCHWAA-JTQLQIEISA-N 304.354 -0.402 30 20 DBED C[C@@H](CNC(=O)C1(C(N)=O)CC1)CNc1ccc(C#N)nn1 1104192080 SHPIVDKHQNVELR-SECBINFHSA-N 302.338 -0.222 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)CNC(=O)C1CC1 1104483419 SQZUITIZVRVJKM-SNVBAGLBSA-N 316.365 -0.445 30 20 DBED C[C@H](CN=c1cc[nH]cc1C#N)N(C)C(=O)[C@@H]1COCCN1C 1104527013 KKUPMFQOAAOQTF-DOMZBBRYSA-N 317.393 -0.035 30 20 DBED C#CCO[C@H](C)C(=O)N(C)[C@@H](C)CNc1ccc2nnnn2n1 1104683977 PTUVNORVHSWKIH-WDEREUQCSA-N 317.353 -0.184 30 20 DBED CCc1nc(C#N)cc(NC[C@@H](O)CNC(=O)[C@@H]2CCCO2)n1 1105737691 JGOVSERCLZAPEY-NEPJUHHUSA-N 319.365 -0.021 30 20 DBED N#Cc1cncc(NC[C@H](O)CNC(=O)Cc2ccc[nH]2)n1 1105863468 KXWRRYBFBLMYLJ-LBPRGKRZSA-N 300.322 -0.192 30 20 DBED N#Cc1nc(=NC[C@H](O)CNC(=O)c2nccs2)cc[nH]1 1105937266 HWWRSNMYBMXSDT-QMMMGPOBSA-N 304.335 -0.571 30 20 DBED Cc1cc(C#N)nc(NC[C@H](O)CNC(=O)c2c[nH]nc2C)n1 1106063119 TWYNNYOLHIYHRY-LLVKDONJSA-N 315.337 -0.109 30 20 DBED CO[C@@H](C(=O)NC[C@H](O)CNc1ccc(C#N)nn1)C(C)C 1106092469 GIMQOMJHVCGHQE-DGCLKSJQSA-N 307.354 -0.092 30 20 DBED C#Cc1cncc(C(=O)NC[C@@H](O)CN=c2cc[nH]cc2C#N)c1 1106099828 HJMPPGOAMAGBAT-HNNXBMFYSA-N 321.340 -0.046 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)Cc2cnc[nH]2)nc1 1106129081 BISYCMLOVHUUDD-GFCCVEGCSA-N 300.322 -0.192 30 20 DBED C=CCCN1CCO[C@@](C)(CNC(=O)Cn2ncn(C)c2=O)C1 1108037082 BBNGYXDJUBKQTP-HNNXBMFYSA-N 323.397 -0.635 30 20 DBED CN(C)C(=O)CCCC(=O)NC[C@@]1(C)CN(CC#N)CCO1 1108347096 GRCDMSQJULYRTM-HNNXBMFYSA-N 310.398 -0.024 30 20 DBED CCS(=O)(=O)CC(=O)NC[C@]1(C)CN(CC#N)CCO1 1108419169 DGBQURKNIVQPNN-GFCCVEGCSA-N 303.384 -0.848 30 20 DBED C#CCCN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN1C(=O)CNC1=O)C2 1108813116 JKWPDTKKTMJLJG-XQQFMLRXSA-N 318.377 -0.469 30 20 DBED C[C@H](CN(C)c1ccc(C#N)nn1)NC(=O)[C@@H]1COCCO1 1108829776 URLIKEPUJKVVAQ-PWSUYJOCSA-N 305.338 -0.295 30 20 DBED C[C@@H](CN(C)c1cnc(C#N)cn1)NC(=O)CN1CCCC1=O 1108850383 ODXIQVSDXKALIT-NSHDSACASA-N 316.365 -0.088 30 20 DBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H]1CCC(=O)N1 1109061511 ONIJPFNIDYIMQF-NDBYEHHHSA-N 320.393 -0.711 30 20 DBED CN(CCCNc1ccc(C#N)nn1)C(=O)Cn1cnnc1O 1109417100 MQDUHVXLEXXWLR-UHFFFAOYSA-N 316.325 -0.394 30 20 DBED CN(CCCN=c1cc[nH]c(C#N)n1)C(=O)[C@H]1CCC(=O)N1C 1109595745 OCTJZLKKTOJRJP-LLVKDONJSA-N 316.365 -0.349 30 20 DBED C#CCCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C[C@H](NC(C)=O)C(N)=O 1109808418 GRKTYCBFFXWGRG-RFGFWPKPSA-N 320.393 -0.889 30 20 DBED Cn1cnc(C(=O)NCC2(N=c3cc[nH]cc3C#N)CC2)cc1=O 1110387145 UVHUMDKBZXNPIP-UHFFFAOYSA-N 324.344 -0.157 30 20 DBED CC(C)[C@@H](O)C(=O)N(CCO)CCN=c1cc[nH]c(C#N)n1 1111461815 PZFPQYQMPBRTQE-CYBMUJFWSA-N 307.354 -0.980 30 20 DBED COC[C@@H](C)CC(=O)N(CCO)CCN=c1cc[nH]c(C#N)n1 1111503452 KTEBRLFSEOCVRR-LBPRGKRZSA-N 321.381 -0.324 30 20 DBED CNC(=O)CC(=O)NC[C@@H]1COCCN1c1ccc(C#N)cn1 1111675817 OGVPNRSYNOQYDC-GFCCVEGCSA-N 317.349 -0.589 30 20 DBED CS(=O)(=O)CCN1CCN(C(=O)CSCC#N)CC1 1112629126 QMWKTROKGMFRPK-UHFFFAOYSA-N 305.425 -0.568 30 20 DBED C#CCOCCC(=O)NC[C@H]1CN(c2ccnc(C)n2)C[C@H]1O 1112737322 ASDKSYWJZAXGDZ-UONOGXRCSA-N 318.377 -0.262 30 20 DBED C#CCO[C@H](C)C(=O)N1CCN(Cc2nnnn2CCC)CC1 1112846028 CTBHEZNFYCUTMC-CYBMUJFWSA-N 320.397 -0.234 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)[C@@H]2CCN(C)C2)CC1 1113631777 KTNPPOTXTNWILB-UONOGXRCSA-N 308.426 -0.227 30 20 DBED C[C@H](C(=O)N(C)C)N1C[C@H]2[C@H](NC(=O)CSCC#N)[C@H]2C1 1113899819 VATZGILEQNBUGI-DCQANWLSSA-N 310.423 -0.234 30 20 DBED CC(=O)NCC(=O)N[C@H]1CN(c2ccc(C#N)nn2)CC[C@@H]1C 1113994613 PTQLMWICVRGREL-GWCFXTLKSA-N 316.365 -0.185 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)C[C@@H]3CCOC3)[C@@H]2C1 1114088062 HPQOLZOOAOYGGL-YNEHKIRRSA-N 307.394 -0.238 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)c3cncnc3O)[C@@H]2C1 1114447554 QGJGNOUDNCGINO-VXGBXAGGSA-N 302.334 -0.508 30 20 DBED COCC#CCN1C[C@@H]2C(NC(=O)Cc3cc(C)nn3C)[C@H]2C1 1114558843 OTTBCDWRDAEWCF-GJZGRUSLSA-N 316.405 -0.033 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)C(C)(C)COC)[C@H]2C1 1114563060 SHIRSOUFHXQZQE-MQYQWHSLSA-N 321.421 -0.157 30 20 DBED CCn1cc(C(=O)NC2[C@H]3CN(CC#CCOC)C[C@H]23)nn1 1115031456 XYOSQLJIUDDCGH-RYUDHWBXSA-N 303.366 -0.392 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)C(=O)NCC3CC3)[C@@H]2C1 1115032651 CDWJMXOAOLTLQL-CHWSQXEVSA-N 305.378 -0.791 30 20 DBED C=CCO[C@H](C)C(=O)NC1[C@@H]2CN(CCN3CCNC3=O)C[C@@H]12 1115332349 NDZLHZNHEZTGPZ-JHJVBQTASA-N 322.409 -0.351 30 20 DBED CN(C)S(=O)(=O)c1cc(C(=O)OCC(=O)NCC#N)co1 1116381186 OAAJIHOFIYIADP-UHFFFAOYSA-N 315.307 -0.674 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CC[C@@](O)(CC)C2)nn1 1118116109 POGZQXOWHVYRPZ-AWEZNQCLSA-N 307.354 -0.546 30 20 DBED C[C@H](CNC(=O)C(=O)N1CC[C@@](O)(CC#N)C1)N(C)C1CC1 1118217680 ZQGCNTDULXHOTB-ABAIWWIYSA-N 308.382 -0.538 30 20 DBED C=CCN1CCC(NC(=O)C(=O)NCc2cn(C)cn2)CC1 1119689927 JJAZOPHFYYMXOS-UHFFFAOYSA-N 305.382 -0.197 30 20 DBED C=CCn1c(C(N)=O)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1121509248 GCGIQJVUXJIKHQ-IINYFYTJSA-N 307.354 -0.053 30 20 DBED Cc1c[nH]cc1C(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1 1121588943 DNNHLAROAUOQPD-JTQLQIEISA-N 300.322 -0.391 30 20 DBED CCO[C@H](C(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1)C(C)C 1122045318 RAWRMHPOVQDXDQ-FZMZJTMJSA-N 321.381 -0.280 30 20 DBED CCO[C@@H](C(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1)C(C)C 1122045320 RAWRMHPOVQDXDQ-SMDDNHRTSA-N 321.381 -0.280 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)[C@@H]1CC1(F)F 1124305158 PEZGIBZPWUOTHX-BDAKNGLRSA-N 311.292 -0.343 30 20 DBED CN(C[C@@H](O)CNc1ccc(C#N)nc1)C(=O)Cn1cncn1 1124346941 UKRNXXLBSUTQEV-ZDUSSCGKSA-N 315.337 -0.524 30 20 DBED C=CCCOCC(=O)N(C)C[C@@H](O)CN=c1cc[nH]c(C#N)n1 1124385387 HHYQIWTWANRIJB-LBPRGKRZSA-N 319.365 -0.406 30 20 DBED CN(C[C@@H](O)CNc1nccnc1C#N)C(=O)Cn1ccnc1 1124399519 RANULDZGNREGCC-NSHDSACASA-N 315.337 -0.524 30 20 DBED C[C@@H](C#N)C(=O)N(C)C[C@@H](O)CN(C)c1nccnc1C#N 1124987515 AXUIVBXHRWJNOC-QWRGUYRKSA-N 302.338 -0.237 30 20 DBED COCCN(CCNC(=O)CNC(C)=O)c1ccc(C#N)cn1 1126180917 HOISILNSPINWAZ-UHFFFAOYSA-N 319.365 -0.342 30 20 DBED C=CCN1CCn2ncc(CNC(=O)CN3CCOCC3)c2C1 1128306121 AOYLZLGXQZBEGK-UHFFFAOYSA-N 319.409 -0.167 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCNCc1cn(CC)nn1 1129770582 JLEUSJCLSJPXLR-AWEZNQCLSA-N 304.398 -0.399 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cnn2ccc(C)cc12 1129924206 QTPYHIOKJSGRKK-UHFFFAOYSA-N 313.361 -0.288 30 20 DBED C=CCOCC(=O)N1C[C@@H](NCCO)[C@H](c2cncn2C)C1 1130948230 ALIMCLXOGWQGCF-CHWSQXEVSA-N 308.382 -0.501 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2C[C@@H]3CN(CCOCCO)C[C@]2(C1)O3 1131210702 VDPKEPHHRJHOTQ-DSJMHWKBSA-N 323.393 -0.543 30 20 DBED CC#CCN1CCNC(=O)CCN(C(=O)CC(=O)NCC)CC1 1131357327 PYYPQUPVVVCZEG-UHFFFAOYSA-N 322.409 -0.814 30 20 DBED C#CCN1C[C@@H](NC(=O)CCc2nnc(O)nc2O)CC[C@@H]1C 1132149316 HYZVOLJQAKEXOY-QWRGUYRKSA-N 319.365 -0.182 30 20 DBED C=CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)CC(=O)NCC 1134142778 GSZKJQUIGBOCLC-NEPJUHHUSA-N 312.414 -0.312 30 20 DBED COCC#CCN[C@H](C)C[C@@H](C)NC(=O)C1CN(C(C)=O)C1 1134240132 MMRQLVORXDOVHJ-CHWSQXEVSA-N 309.410 -0.013 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NCCNCCS(C)(=O)=O 1134816472 DKBXWEAPFYCTJF-LBPRGKRZSA-N 319.427 -0.792 30 20 DBED CC#CCN[C@H](C)C[C@H](C)NC(=O)Cn1ccc(O)nc1=O 1134897219 BOHJLXAMUCDZLY-NEPJUHHUSA-N 306.366 -0.155 30 20 DBED C=CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)C1(C(N)=O)CC1 1135348607 IERQUQJRKMIRDK-GHMZBOCLSA-N 310.398 -0.573 30 20 DBED C#CCNC(=O)CNCCNC(=O)C(=O)N1[C@@H](C)CCC[C@@H]1C 1135913917 OBICVXCFKCODND-STQMWFEESA-N 322.409 -0.769 30 20 DBED N#CCNC(=O)CN1CCCO[C@@H](CNC(=O)c2ccc[nH]2)C1 1149144830 VJEBLZHJKUKMEK-LBPRGKRZSA-N 319.365 -0.525 30 20 DBED C=CCOCCN1CCCO[C@H](CNC(=O)Cn2ncnn2)C1 1149739805 OYHJLTUBPNIVLT-CYBMUJFWSA-N 324.385 -0.917 30 20 DBED C=CCO[C@@H](C)C(=O)NCCNC[C@@H]1CCS(=O)(=O)C1 1153148840 MXFAEBPQUMDNNC-RYUDHWBXSA-N 304.412 -0.282 30 20 DBED CCN(CC#CCOC)[C@H](C)CNC(=O)[C@H](C)S(C)(=O)=O 1154038830 ORWBIYSYVZLDGV-OLZOCXBDSA-N 318.439 -0.104 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)C2=COCCO2)C1=O 1154366192 RYUIVKJSBZAUIC-LBPRGKRZSA-N 309.366 -0.243 30 20 DBED C=CCNC(=O)CN(CC)[C@H](C)CNC(=O)[C@]1(C)CCC(=O)N1 1155126639 ODIMHUIYEVIECP-WBMJQRKESA-N 324.425 -0.216 30 20 DBED N#CCNC(=O)CNCCCNC(=O)c1cn(C2CCC2)nn1 1158217736 UDFAOFRLBHQENM-UHFFFAOYSA-N 319.369 -0.648 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1c(C)nn(C)c1C 1163565031 OIIULEFMFPVIAN-UHFFFAOYSA-N 305.382 -0.504 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)C[C@H]1CCC(=O)N1C 1163800584 DVBZKJIASYCWMG-CHWSQXEVSA-N 324.425 -0.216 30 20 DBED C=CCNC(=O)CNCC1(CCNC(=O)c2cn(C)nn2)CC1 1164437802 MVORRIAYURPNGD-UHFFFAOYSA-N 320.397 -0.393 30 20 DBED CC[C@H]1C[C@@H](C(=O)NCCCNCC(=O)NCC#N)CCO1 1170421413 OYNIEWYXGPZEQH-STQMWFEESA-N 310.398 -0.073 30 20 DBED C=CCOCCNCCCNC(=O)CN1CC(=O)N(C)C1=O 1171026525 RXGGUICXBGBCIK-UHFFFAOYSA-N 312.370 -0.821 30 20 DBED C#CCNC(=O)CN1CCO[C@@H]2CCN(C(=O)C(F)F)C[C@H]21 1176870405 GANSTUDKDRVIFO-GHMZBOCLSA-N 315.320 -0.697 30 20 DBED C[C@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)c1cscn1 1178332602 WPCJADSIMSNDNZ-UWVGGRQHSA-N 307.379 -0.025 30 20 DBED C=CCNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)c2ccc[nH]2)C1 1180940220 QTFLRCKOWAOABI-LLVKDONJSA-N 319.365 -0.169 30 20 DBED C=CCNC[C@]1(C)CN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C[C@H]1C 1182767434 DPQLIPKWDNRDRC-JRPNMDOOSA-N 308.382 -0.155 30 20 DBED C=CCOCCN[C@@H]1CCN(C(=O)c2nnc(O)nc2O)C1 1183978209 PSSPPAQKIGNEPU-SECBINFHSA-N 309.326 -0.711 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)CCn2ccnc2)C1 1184721017 SKJYGNUVQPLSEU-UONOGXRCSA-N 317.393 -0.398 30 20 DBED C#CCNC(=O)CNC[C@H]1CCN(C(=O)c2cnn[nH]2)C[C@@H]1C 1184723371 IKMDLIPSFVMGJH-NWDGAFQWSA-N 318.381 -0.758 30 20 DBED C#CCNC[C@@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C[C@@H]1C 1185283168 NWHASNVJPWXEGI-RYUDHWBXSA-N 305.378 -0.253 30 20 DBED CO[C@@H](C)CCC(=O)N1CC[C@@H](N(C)CC(=O)NCC#N)C1 1189799083 VEXOEBNAMWUAFT-QWHCGFSZSA-N 310.398 -0.026 30 20 DBED C#CCCCC(=O)N[C@@H]1CN([C@H](CCCC)C(N)=O)C[C@H]1O 1192518693 XENYFCDYINKENM-MGPQQGTHSA-N 309.410 -0.005 30 20 DBED C#CCCN(C)[C@@H]1CCN(C(=O)[C@@H](C)NS(C)(=O)=O)C1 1192551834 UFBRTXCXHKFMLR-VXGBXAGGSA-N 301.412 -0.520 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(CCn2cccn2)C[C@H]1O 1192879127 SEURSNOGKADVNF-ZIAGYGMSSA-N 306.366 -0.916 30 20 DBED C#CCNC1CCN(C(=O)[C@@H](CCC)S(N)(=O)=O)CC1 1201808709 FACLXVLBPGHILP-GFCCVEGCSA-N 301.412 -0.343 30 20 DBED C#CCNC[C@H]1CN(C(=O)[C@@H]2CCN(C(C)=O)C2)CCCO1 1201959595 VVOJAZGNTTWMAG-CABCVRRESA-N 307.394 -0.305 30 20 DBED Cn1cnnc1COCC(=O)N[C@@H]1C[C@H](NCC#N)C12CCC2 1203555108 IMJZHAOWAVEZRO-NWDGAFQWSA-N 318.381 -0.128 30 20 DBED CO[C@@H](C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C)C1CC1 1206925598 GYOYDCZVBQKLLK-MPKXVKKWSA-N 308.382 -0.512 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCN(C(=O)C2=COCCO2)C1 1207141668 AFHHVKAFKPEZRY-LLVKDONJSA-N 308.338 -0.905 30 20 DBED Cc1ncncc1C(=O)N1CCC[C@@H](NCC(=O)NCC#N)C1 1207480760 MXLRMXCDFSULGJ-GFCCVEGCSA-N 316.365 -0.381 30 20 DBED C#CCOCCC(=O)N1CCC[C@H](NCc2nc(=O)n(C)[nH]2)C1 1208031728 CROHERUBLMYEIW-LBPRGKRZSA-N 321.381 -0.771 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)Cc2cnoc2)[C@H](C)C1 1208395992 MGUFAZDNDMJGCZ-DGCLKSJQSA-N 304.350 -0.597 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)c2ccncn2)C1 1210198742 RBVJRTOYVGDBKV-LBPRGKRZSA-N 301.350 -0.580 30 20 DBED CO[C@@H]1CN(CC(=O)NCC2CCC2)C[C@H]1NC(=O)[C@H](C)C#N 1212039584 OOMMYFHNVXBMPI-MRVWCRGKSA-N 322.409 -0.122 30 20 DBED C=CCOCCN1C[C@@H](NC(=O)c2ncn(C)n2)[C@H](OC)C1 1212214542 MXVRWXJMOYLEIU-VXGBXAGGSA-N 309.370 -0.553 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)CNC(=O)c1cscn1 1213681720 QFJZXIGJQFWBQH-MWLCHTKSSA-N 323.378 -0.788 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2nnn(C)n2)C[C@H]1OC 1213966224 LNDQPZFYCYHFOJ-IJLUTSLNSA-N 324.385 -0.883 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)CC)C[C@H]1C 1214683928 SFWOARAEHWMDQB-IJLUTSLNSA-N 301.412 -0.616 30 20 DBED C=CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)COCc1nncn1C 1218880991 NTMUHUSSXGHAIR-QWHCGFSZSA-N 321.381 -0.571 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(CCOC(C)C)C[C@@H]1O 1219535769 FLIXSXFSHDKDJR-IPYPFGDCSA-N 300.399 -0.100 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)[C@@H](C)NC(=O)CC)C1 1219682046 BGUCRIMAPSWOGT-UPJWGTAASA-N 313.398 -0.735 30 20 DBED C#CCC1(C(=O)N[C@@H]2CN(CC(=O)NCC)C[C@@H]2O)CCC1 1219783938 LBZCLUAXLISNQE-OLZOCXBDSA-N 307.394 -0.523 30 20 DBED C=C[C@@](C)(CC)C(=O)N[C@@H]1CN(CCN2CCNC2=O)C[C@@H]1O 1220293551 LHQZYZQMMSPXAO-WWGRRREGSA-N 324.425 -0.225 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)CNC(=O)c2cccc(F)c2)C1 1220902619 QVJLFCQKXWPMOR-KGLIPLIRSA-N 319.336 -0.650 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(CCOCCOC)C[C@@H]1O 1221146198 YOBBMLPEAYKQOS-MCIONIFRSA-N 316.398 -0.598 30 20 DBED C=CCO[C@H](C)C(=O)N1CCC[C@H](NCc2nnnn2C)C1 1222067699 LNUCLWKIYWWNFI-NEPJUHHUSA-N 308.386 -0.118 30 20 DBED CC#CCN1CCC(NC(=O)COCc2nncn2C)CC1 1229858787 SKXNIPWZCGGXNR-UHFFFAOYSA-N 305.382 -0.064 30 20 DBED N#CCN1CCS(=O)(=O)[C@H](CCNC(=O)C2(CF)CC2)C1 1230497840 PTOMTOZYOURSBH-LLVKDONJSA-N 317.386 -0.135 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@@H]1CN(C)C(=O)c1ccnn1C 1231103060 NEIWEMFHIZCUAG-QWHCGFSZSA-N 317.393 -0.296 30 20 DBED C=CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)Cc1cnn(C)c1 1231161336 LREPMMRDOZULKT-CQSZACIVSA-N 319.409 -0.203 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)C1CCC(O)CC1 1233975943 AHGUUAQBXLZGCI-SHARSMKWSA-N 321.421 -0.180 30 20 DBED C[C@H](C(=O)NC(N)=O)N(C)CCCNC(=O)CSCC#N 1234161653 GDWYOCQSPSSQSH-SECBINFHSA-N 315.399 -0.735 30 20 DBED C#CCNC(=O)CN1CC[C@@H](CCNC(=O)[C@H](CC)N(C)C)C1 1267564410 AFACGZUQADDHQH-CABCVRRESA-N 322.453 -0.096 30 20 DBED COCC#CCN1CCC[C@H](NC(=O)Cc2n[nH]c(C)n2)C1 1317969453 YMBMDWDMXNQCDM-ZDUSSCGKSA-N 305.382 -0.114 30 20 DBED C=CCN1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 1320050474 GKEYPCXZXBWAIB-GFCCVEGCSA-N 301.412 -0.907 30 20 DBED N#CCNC(=O)[C@@H](CCC(N)=O)N1C(=O)c2ccccc2C1=O 1322075642 FEBFQYRGVFFRRK-LLVKDONJSA-N 314.301 -0.444 30 20 DBED C#CCC[C@H](O)CNC(=O)NC1CCC2(CC1)NC(=O)NC2=O 1323854230 PNFBYGVPPLELDD-VTWZXRTESA-N 322.365 -0.419 30 20 DBED C=CCN1CCC(NC(=O)C(=O)NCc2cnn(C)c2)CC1 1324402809 DIWDQVMVXDVHBS-UHFFFAOYSA-N 305.382 -0.197 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)C(=O)N2CCCC[C@H]2CCO)C1 1327023500 WVOIIEBUZBYSHA-SWLSCSKDSA-N 309.366 -0.373 30 20 DBED COc1cc(CNC(=O)C(=O)N2CCO[C@H](C#N)C2)ccc1O 1327432932 YVWVHUBQRZMPDC-LLVKDONJSA-N 319.317 -0.232 30 20 DBED C=CCN(C(=O)C(=O)N1CCO[C@@H](COC)C1)[C@@H](C)COC 1328279864 AHVJLTYPRCNAJF-QWHCGFSZSA-N 314.382 -0.090 30 20 DBED C#CCNC(=O)C1CCN(C(=O)C(=O)N[C@H]2C=CCC2)CC1 1328543331 QEONLKXIWLQNLG-ZDUSSCGKSA-N 303.362 -0.191 30 20 DBED N#CCNC(=O)CNC(=O)N1CCC(OC[C@@H]2CCOC2)CC1 1329235023 ROLQZRSAVHUPHE-GFCCVEGCSA-N 324.381 -0.147 30 20 DBED C#Cc1cccc(CNC(=O)C(=O)N2CCOC[C@H]2CCO)c1 1334295161 ZNLWLCQPWLGJQR-OAHLLOKOSA-N 316.357 -0.106 30 20 DBED C=C(C)CN(C)C(=O)C(=O)N1CCC[C@H](NS(C)(=O)=O)C1 1335602972 XJEKQKIPVTUWEH-NSHDSACASA-N 317.411 -0.439 30 20 DBED CC(C)n1ccc(NC(=O)C(=O)NCCn2cnc(C#N)n2)n1 1342526015 RGESZNAZSCLJHP-UHFFFAOYSA-N 316.325 -0.318 30 20 DBED COC1([C@@H](C)NC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)CCC1 1345891564 AMTITZSTVXCCAA-RISCZKNCSA-N 309.366 -0.063 30 20 DBED CC(C)(C)OC(=O)Cn1cc(C(=O)N2CCOC[C@@H]2C#N)nn1 1361432619 QWPVGKZUTBGLDF-JTQLQIEISA-N 321.337 -0.016 30 20 DBED CCOC(C)(C)CNC(=O)NCCn1cc(C#N)c(O)nc1=O 1364268042 CZHWRFCZOPFEPV-UHFFFAOYSA-N 323.353 -0.065 30 20 DBED C=C(Cl)CN[C@H](C)CNC(=O)CCn1ncn(C)c1=O 1441922295 MEDSMZMKSQRNJN-SNVBAGLBSA-N 301.778 -0.181 30 20 DBED CC[C@@H](C(N)=O)N1CCN(CCN(C)C(=O)[C@H](C)C#N)CC1 1443288673 KDOGESTUWSJNGF-OLZOCXBDSA-N 309.414 -0.514 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCN(C)C(=O)c1cccn2nnnc12 1452143062 ARGLBMJDNIWFHE-JTQLQIEISA-N 315.337 -0.186 30 20 DBED CC(C)c1nnnn1CC(=O)NC1(CNC(=O)[C@H](C)C#N)CC1 1453541515 VOJHGENZXPYKSB-SNVBAGLBSA-N 319.369 -0.279 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C)C(=O)[C@@H]1Cc2cncn2C(=O)N1 1455433662 MBKBLYSYMNCVNQ-ONGXEEELSA-N 318.337 -0.900 30 20 DBED C[C@H](CO[C@@H]1CCOC1)NC(=O)Cn1cc(C#N)c(O)nc1=O 1466009035 IITZPUMPTHAYAA-MWLCHTKSSA-N 322.321 -0.869 30 20 DBED C[C@@](O)(CNC(=O)Cn1cc(C#N)c(O)nc1=O)C(F)(F)F 1466150616 JZGDQXPGRMCYIM-SNVBAGLBSA-N 320.227 -0.750 30 20 DBED C=C(Cl)CN(CC)CCNC(=O)c1cn(CC(N)=O)nn1 1493063529 XHZVAJCPHWXPHH-UHFFFAOYSA-N 314.777 -0.432 30 20 DBED CO[C@@H](C)c1noc(CN2CC(O)(CNC(=O)[C@@H](C)C#N)C2)n1 1500805953 BUDNHHAUSZGSIM-UWVGGRQHSA-N 323.353 -0.400 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)c2cn(C)c(=O)n2C)C1 1525088550 WNTJOTMXQJBYRT-OPRDCNLKSA-N 305.338 -0.740 30 20 DBED CCN(CCNC(=O)c1cn(C)nn1)C(=O)c1cc(C#N)c[nH]1 1528833754 IBOWNTLIRJPVCI-UHFFFAOYSA-N 315.337 -0.093 30 20 DBED CC(=O)N[C@@H](C)C(=O)NC1(CNC(=O)c2cc(C#N)c[nH]2)CC1 1535193085 OIVDMHMBFSFCCX-VIFPVBQESA-N 317.349 -0.210 30 20 DBED C#CCOCCC(=O)NCC1(NC(=O)[C@H]2C[C@@H]2C(=O)O)CC1 1573311329 MPLYGVSAFUBGGJ-QWRGUYRKSA-N 308.334 -0.488 30 20 DBED C[C@H](CN(C)C(=O)NCCN/C(O)=C1/N=CC=CC1=O)C(=O)O 1573586516 DUXRMBNYDHTDEQ-NPAAXYOMSA-N 324.337 -0.125 30 20 DBED N#CCN1CCC(CO)(NC(=O)CCOCc2cnn[nH]2)CC1 1577706916 YRFVHRMHWQQTEG-UHFFFAOYSA-N 322.369 -0.822 30 20 DBED N#C[C@H]1CNC[C@H]1NC(=O)Cc1csc(N2CCOCC2)n1 1580043100 HZNRHPSMMSUMDD-CMPLNLGQSA-N 321.406 -0.250 30 20 DBED C=CCOCC(=O)NCCCNc1nccnc1-c1nn[nH]n1 1588676423 URUOXLGZHRJOKK-UHFFFAOYSA-N 318.341 -0.223 30 20 DBED C=C[C@H](CO)NS(=O)(=O)Cc1ccc(-c2nn[nH]n2)cc1 1588728154 NKBCZPOFXLAFGY-LLVKDONJSA-N 309.351 -0.167 30 20 DBED C=CCOC[C@@H](NC(=O)c1cnc2c(c1)nnn2C)C(=O)O 1588859940 BXESHDWLWYYKOV-SNVBAGLBSA-N 305.294 -0.251 30 20 DBED N#Cc1ccc(NC(=O)C(=O)NCCOCC(=O)O)cc1F 1601106927 KPZMVWWRHAEJTN-UHFFFAOYSA-N 309.253 -0.147 30 20 DBED N#Cc1ccc2c(c1)N(C(=O)C(=O)NC[C@@H](O)CC(=O)O)CC2 1601114472 DLFPARFRKBVUSY-NSHDSACASA-N 317.301 -0.601 30 20 DBED COC(=O)[C@@H]1CCN(S(=O)(=O)CCCC#N)[C@@H](C(=O)O)C1 1606413772 HNEOFUDAEDJTLM-NXEZZACHSA-N 318.351 -0.042 30 20 DBED N#Cc1cccc([C@H](C(=O)O)N2CCN3C(=O)NC(=O)[C@@H]3C2)c1 1610630298 NEKUXTOZBYRBPS-NWDGAFQWSA-N 314.301 -0.080 30 20 DBED C=CCn1cc(C(=O)NCCCN(C)Cc2nnnn2C)nn1 1752077546 HIHQZZNFQPPSGK-UHFFFAOYSA-N 319.373 -0.761 30 20 DBED C=CCNC(=O)CN[C@H]1C[C@@H](NC(=O)c2cn(C)nc2C)C1 1752720004 LHYKYFBPQXLTML-TXEJJXNPSA-N 305.382 -0.119 30 20 DBED NC(=O)NC(=O)CNC[C@@H]1CCCN(C(=O)C#CC2CC2)C1 1752797285 GGGDBWPANZTXSV-LBPRGKRZSA-N 306.366 -0.577 30 20 DBED C=CCNC(=O)[C@H](C)N1CCC[C@H]1CNC(=O)c1[nH]nnc1C 1753109007 QUCYWWZAVSTMEI-RYUDHWBXSA-N 320.397 -0.002 30 20 DBED CN(C)c1ccc(C(=O)NC2CN(CC(=O)NCC#N)C2)cn1 1753381282 VCLUSZRWZLGQIF-UHFFFAOYSA-N 316.365 -0.799 30 20 DBED Cc1cc(C(=O)N2C[C@@H]3C[C@H]2CN3CC(=O)NCC#N)no1 1753416363 CKPYUKCPPRVRBA-QWRGUYRKSA-N 303.322 -0.479 30 20 DBED C#CCNC(=O)CNC[C@H](C)N(C)C(=O)c1n[nH]c2c1CCC2 1753699924 DWZVEAWGTPIRLX-NSHDSACASA-N 317.393 -0.302 30 20 DBED C#CCCN[C@H]1CCN(C(=O)c2nnc(O)nc2O)C[C@@H]1C 1753757817 WBVBAEMOGGUDER-UWVGGRQHSA-N 305.338 -0.254 30 20 DBED C[C@@H]1CN(C(=O)CCCS(N)(=O)=O)CC[C@@H]1NCC#N 1753763893 XIWIPMIOLRRAGP-MNOVXSKESA-N 302.400 -0.595 30 20 DBED C=CCNC(=O)[C@H](C)N(C)CCN(C)C(=O)[C@H]1COCCO1 1753847386 XVHOKLCVAWUDFT-QWHCGFSZSA-N 313.398 -0.517 30 20 DBED COCC#CCN(C)CCN(C)C(=O)c1ccc(=O)n(C)n1 1753868103 SEVAUZQUHKRMMZ-UHFFFAOYSA-N 306.366 -0.566 30 20 DBED C#CCNC(=O)CNCC[C@H](C)NC(=O)c1cnn(C)c1C 1753951076 NUAVTPZMPCGWMG-NSHDSACASA-N 305.382 -0.424 30 20 DBED CN(CCNC/C=C/CNC(=O)C#CC1CC1)S(C)(=O)=O 1754120053 SOENVTFPDMOQLK-ONEGZZNKSA-N 313.423 -0.447 30 20 DBED C#CCNC(=O)[C@H](C)NC/C=C\CNC(=O)c1cnnn1CC 1754132054 KBQFDTLZNZEGJQ-DGMVEKRQSA-N 318.381 -0.689 30 20 DBED C=CCNC(=O)[C@H](C)NC/C=C/CNC(=O)[C@@H]1CCC(=O)NC1 1754140025 KKGAEAHJFLEYKV-QITAHTHBSA-N 322.409 -0.535 30 20 DBED C=CCNC(=O)[C@H](C)NC[C@@H](C)NC(=O)c1cnc(O)n1C 1754238530 VJPYTHLTFDWAPK-ZJUUUORDSA-N 309.370 -0.476 30 20 DBED C=CCNC(=O)CNC[C@@H]1CCCC[C@H]1NC(=O)c1cnn[nH]1 1754346080 QVLDASROENOIKC-NWDGAFQWSA-N 320.397 -0.015 30 20 DBED C#CCNC(=O)CNC[C@H]1CCCC[C@@H]1NC(=O)CCN(C)C 1754348863 OCWNIHWRJFRSHY-CABCVRRESA-N 322.453 -0.048 30 20 DBED CC(C)SCC(=O)N[C@H]1[C@H]2C[C@H]1N(CC(=O)NCC#N)C2 1754420140 CNYSBBRWKMDSSU-WDMOLILDSA-N 310.423 -0.043 30 20 DBED C=CCNC(=O)CN1CC(N(C)C(=O)[C@H]2CCCC(=O)N2)C1 1754578254 AHJOHNAVJOXYBO-GFCCVEGCSA-N 308.382 -0.900 30 20 DBED NC(=O)C(=O)NC[C@@]1(O)CCN(CC#Cc2ccc(F)cc2)C1 1754756985 ACOFCVOYTGYMSR-INIZCTEOSA-N 319.336 -0.785 30 20 DBED COc1cc(C(=O)NCCN2CCC(NCC#N)CC2)ncn1 1754848960 ZHLQQEQPCAFCMO-UHFFFAOYSA-N 318.381 -0.207 30 20 DBED C=CCN1CCC[C@@](CO)(NC(=O)[C@@H]2CCN(C)C(=O)C2)C1 1754855314 MXBXDFAOWDBSIS-CZUORRHYSA-N 309.410 -0.016 30 20 DBED C#CCNC(=O)CN(C)[C@@H](C)CNC(=O)c1ccc(OC)nc1 1755308252 UIHVYTFYEINYDY-LBPRGKRZSA-N 318.377 -0.110 30 20 DBED COCC#CCN1CC([C@@H](C)NC(=O)C[C@@H]2CC(=O)NC2=O)C1 1755392869 YKZKTQGMSJYYPY-VXGBXAGGSA-N 321.377 -0.875 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](CNC(=O)[C@@]3(F)CCOC3)[C@H]2C1 1755427195 AUKGGSNOQMAUEW-NFFDBFGFSA-N 323.368 -0.842 30 20 DBED C#CCN(C)CCOCCNC(=O)c1cnc2c(c1)nnn2C 1755541928 RRYDLOMMAOYYAO-UHFFFAOYSA-N 316.365 -0.325 30 20 DBED N#CCN[C@H](CO)CNC(=O)c1cc(-c2ccccn2)no1 1755643411 KTYAACUKQQCTDP-JTQLQIEISA-N 301.306 -0.060 30 20 DBED C=C1CC(C)(C(=O)N(C)C[C@H](O)CNCc2nnnn2C)C1 1755788049 KIIYVKLVPVBMOK-LLVKDONJSA-N 308.386 -0.525 30 20 DBED C=CCNC(=O)[C@@H](C)N(C)C[C@@H](O)CN(C)C(=O)C#CC1CC1 1755800755 MTDTXDUGNMYAHM-UKRRQHHQSA-N 321.421 -0.158 30 20 DBED C=CCO[C@H](C)C(=O)N1C[C@H](O)[C@H](NC(=O)c2ocnc2C)C1 1757164490 OFGNNVCPAVSNDT-UTUOFQBUSA-N 323.349 -0.124 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(C(=O)c2ncc[nH]2)C[C@@H]1O 1757185626 WXVVLLUXSMJUNY-MNOVXSKESA-N 308.338 -0.696 30 20 DBED C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncc[nH]1 1794502535 YEQOLHACFOMWSE-MMWGEVLESA-N 324.406 -0.069 30 20 DBED N#CC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN)CCC1 1795529329 UJJKLKVWFHPTIL-PTEHBNRSSA-N 306.366 -0.771 30 20 DBED O=C(O)C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1nc[nH]n1 1796494917 APRQYRMHCHZUPF-ILWJIGKKSA-N 317.305 -0.856 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CC)NC(C)=O)C2 1800452497 NMJGZFFWMTXRDR-XFMPKHEZSA-N 321.377 -0.876 30 20 DBED C#CC(=O)N1CC2(CCCN2C(=O)c2ccnn2CCOC)C1 1843510211 LYSWDQKOUSDCKD-UHFFFAOYSA-N 316.361 -0.020 30 20 DBED CC(=O)C[C@H](C)C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1846329613 YQFXPGFOBLGHTH-NSHDSACASA-N 320.345 -0.107 30 20 DBED CN1N=C(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CC#N)CCC1=O 1848044333 WRNMEAPYAKKVLX-RYUDHWBXSA-N 317.349 -0.290 30 20 DBED CCN(CC)C(=O)CN(C)c1c(C#N)c(=O)n(C)c(=O)n1C 54359364 FWZOCKVOIXFMSP-UHFFFAOYSA-N 307.354 -0.740 30 20 DBED C#CCNC(=O)N1CCN([C@@H](C)C(=O)NCCCOC)CC1 103505297 XAPMQWHGFFOZTE-ZDUSSCGKSA-N 310.398 -0.512 30 20 DBED C=C(C)COCCNC(=O)CN(C)[C@H]1CCS(=O)(=O)C1 119647733 SBWBVKVVJGWRDP-LBPRGKRZSA-N 304.412 -0.186 30 20 DBED N#Cc1ccc(S(=O)(=O)N[C@@H](CO)C(=O)O)c(Cl)c1 126032629 CVFOGDYHZYDNOF-QMMMGPOBSA-N 304.711 -0.065 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](CCC)C(=O)O)C1=O 262374507 MUADCDPMLNLYBV-QMMMGPOBSA-N 311.294 -0.667 30 20 DBED CN(C)C(=NCCS(=O)(=O)N1CCSCC1)N(C)C 262506331 BLWVAEBFLIYYFE-UHFFFAOYSA-N 308.473 -0.156 30 20 DBED C#CCNC(=O)c1ccccc1NC(=O)[C@@H](C)NS(C)(=O)=O 266798495 CPRWHYJPIIBXNA-SNVBAGLBSA-N 323.374 -0.074 30 20 DBED C#CCN(CC)CC(=O)c1c(N)n(CCOC)c(O)nc1=O 266944721 SFGXFIXBLNQMSX-UHFFFAOYSA-N 308.338 -0.685 30 20 DBED N#C[C@H]1COCCN1C(=O)CCN1C(=O)NC2(CCCC2)C1=O 267188976 OZMQYFOHPMOWEF-NSHDSACASA-N 320.349 -0.008 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)NCCN1CCOCC1 330371264 IFMHVDYOKXIDDD-GFCCVEGCSA-N 304.416 -0.365 30 20 DBED CC/N=C(/O)NC(=O)[C@H](C)N1CCN(Cc2ncc[nH]2)CC1 330770526 NXIQQNUEWHJSSD-NSHDSACASA-N 308.386 -0.034 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@H](C)C(=O)NCCF 337180216 AKFUZJFUMMBDCP-SNVBAGLBSA-N 324.378 -0.843 30 20 DBED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CC[C@](F)(CO)C2)n1 338905510 QJXRQMBPXAJUPP-CQSZACIVSA-N 323.328 0.207 30 20 DBED CN(C(=O)CNC(=O)c1ccc(C#N)cc1)[C@@H]1CCNC1=O 340717233 WNYHVMTXQGCVHQ-GFCCVEGCSA-N 300.318 -0.365 30 20 DBED CN(CCC#N)S(=O)(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O 345355145 PWBHXMAIGSYUTB-DCAQKATOSA-N 300.384 -0.338 30 20 DBED CC[C@H]1CN(C(=O)Cn2cnc(C#N)n2)C[C@H](C)S1(=O)=O 346339307 PSXAKBBPXQRVPY-UWVGGRQHSA-N 311.367 -0.426 30 20 DBED N#Cc1cccc(NS(=O)(=O)CCCS(N)(=O)=O)n1 349463476 YUKOQZYMQLYMIN-UHFFFAOYSA-N 304.353 -0.626 30 20 DBED C=CCOC[C@H](NC(=O)[C@@H]1CC[C@H](C(=O)OC)O1)C(=O)OC 356338888 JUDDWYXLZDZKPE-GARJFASQSA-N 315.322 -0.433 30 20 DBED C#CCNC(=O)[C@H](C)N1CCCN(C(=O)[C@@H]2CCCO2)CC1 360571521 PIANZMCXMJPGFD-KBPBESRZSA-N 307.394 -0.162 30 20 DBED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2C[C@H](O)C[C@H]2CO)CC1 372167507 SIUZCACCXNBFQB-RRFJBIMHSA-N 324.425 -0.894 30 20 DBED CS(=O)(=O)N1CC[C@@H](NC(=O)c2cccc(C#CCO)c2)C1 400218423 MOFNVNCSIZBFED-CQSZACIVSA-N 322.386 -0.206 30 20 DBED C=C(C)[C@@H](CC(=O)N1CCN(S(=O)(=O)NC)CC1)OCC 412321478 PQALEJUWOAPSCA-GFCCVEGCSA-N 319.427 -0.034 30 20 DBED COCC(=O)N1CCN(C(=O)Nc2ccn(CCC#N)n2)CC1 438332023 PIYYQJFPAMAGGA-UHFFFAOYSA-N 320.353 0.119 30 20 DBED C=CCC[C@H](NC(=O)[C@H](C)NS(C)(=O)=O)C(=O)OCC 456636246 XVABMYYOJADWOZ-UWVGGRQHSA-N 306.384 -0.062 30 20 DBED CC(=O)N[C@H]1CCCN(C(=O)Cn2cc(C#N)ccc2=O)C1 565242777 SESDYHOBSINUER-ZDUSSCGKSA-N 302.334 -0.153 30 20 DBED C[C@H](C#N)CNC(=O)[C@@H](C)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 579421332 DNROGLCHCZUXQZ-ZKSVUJDCSA-N 305.334 -0.187 30 20 DBED C=CCN1CCC(NC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CC1 582797817 ZOSHYZWMLLSLSS-ZIAGYGMSSA-N 321.425 -0.410 30 20 DBED COCCN(C)CCN1C[C@@H](Nc2cc(C#N)cnn2)CC1=O 601178316 PDEVDBFWPFNTHB-ZDUSSCGKSA-N 318.381 -0.061 30 20 DBED CCC(=O)N[C@@H](C)C(=O)N(CCC#N)CCN1CCOCC1 604538452 LKIBPDYEBWJCIX-ZDUSSCGKSA-N 310.398 -0.024 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C)c2nccn2C)C1=O 620594510 DUTDQTGXDMBBLB-SECBINFHSA-N 319.321 -0.426 30 20 DBED C=CCCn1cc(C(=O)N2CCN(CC(=O)N(C)C)CC2)nn1 644546509 LQWMMTSXPDUPOH-UHFFFAOYSA-N 320.397 -0.300 30 20 DBED CC(=NN=c1nc2[nH][nH]cc-2c(O)n1)c1cc(C(N)=O)n(C)c1 731157842 SCDIFQFFSQMVSJ-UHFFFAOYSA-N 314.309 -0.295 30 20 DBED C#CCCN1CCN(C(=O)CCCN2C(=O)CNC2=O)CC1 744432028 ZIYYEOQPSODDSQ-UHFFFAOYSA-N 306.366 -0.514 30 20 DBED C#C[C@H](NC(=O)C(=O)NC[C@@H](C)Cn1cccn1)[C@H]1CCCO1 790213448 NJSXCPJBWKVWIM-HZSPNIEDSA-N 318.377 -0.068 30 20 DBED Cc1cnn(C)c1C=NNC(=S)NCCN1CCOCC1 794867937 CBODOFAUPZZXCC-UHFFFAOYSA-N 310.427 -0.141 30 20 DBED N#CCc1cccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)O)c1 794909677 UUKLLTJWPQYVIZ-PWSUYJOCSA-N 310.331 -0.039 30 20 DBED CNC(=O)NCCC(=O)NS(=O)(=O)CC1(C#N)CCCC1 797050781 WGOCBINJBCXQPW-UHFFFAOYSA-N 316.383 -0.165 30 20 DBED C#CCC[C@H](O)CNC(=O)NC[C@@H]1CC[C@H](C(=O)N(C)C)O1 798451028 WZNWGJGXLHQTCM-RWMBFGLXSA-N 311.382 -0.304 30 20 DBED Cn1c(=O)c2c(ncn2CCOC(=O)CCCC#N)n(C)c1=O 812614228 KCTVOXDBROTBPJ-UHFFFAOYSA-N 319.321 -0.329 30 20 DBED C=C[C@H](O)C(=O)OCC(=O)N(CC)[C@H]1CCS(=O)(=O)C1 814548379 TUZORXQSZKYYOZ-UWVGGRQHSA-N 305.352 -0.888 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)N[C@@H]2CCCN(O)C2=O)cc1 820483093 YVVTYRXGEAXPJI-GFCCVEGCSA-N 316.317 -0.216 30 20 DBED Cn1cc(-c2nn[nH]n2)cc1C(=O)N1CCN(CC#N)CC1 822628485 YXYPITFPHZJZLM-UHFFFAOYSA-N 300.326 -0.513 30 20 DBED COc1ccc(C=NN2C(=O)CNC2=O)cc1-c1nn[nH]n1 826190730 LLBVRVBNRQRZPF-UHFFFAOYSA-N 301.266 -0.239 30 20 DBED CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)N[C@H]1CNC[C@@H]1C#N 834499925 ORTWGIWPUMZMMZ-CIUDSAMLSA-N 306.288 -0.083 30 20 DBED Cc1cc(C(=O)N[C@@H]2CNC[C@H]2C#N)nc2nc(O)nc(O)c12 844195025 PBJXOLOYDCSOQO-VXNVDRBHSA-N 314.305 -0.414 30 20 DBED C=CCCNC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 855380909 MEXZAPZMOPSWNG-JTQLQIEISA-N 313.379 -0.156 30 20 DBED Cc1cnn([C@@H]2CCCNC2)c1C(=O)N[C@H]1CNC[C@H]1C#N 876801826 JJXDVQGBOHLYEO-UPJWGTAASA-N 302.382 -0.043 30 20 DBED C#CCOCCC(=O)N[C@H]1CCCN(CCN2CCOCC2)C1 882634491 YJTDAROWLWAGEI-INIZCTEOSA-N 323.437 -0.061 30 20 DBED C#CCN1CCC[C@@H](NC(=O)NCCN2C(=O)CCC2=O)C1 884147521 LVFSUOAAAGHTEZ-GFCCVEGCSA-N 306.366 -0.468 30 20 DBED O=C(NCC#CCO)NCc1ccc2c(c1)CCS2(=O)=O 923775693 BKGDXAWOSZFCRR-UHFFFAOYSA-N 308.359 -0.189 30 20 DBED C=CCn1cc(C(=O)N2CC[C@@H](NC(=O)[C@@H]3CCOC3)C2)nn1 939657382 HCCHGQLEVSUYGM-VXGBXAGGSA-N 319.365 -0.169 30 20 DBED CO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)[C@@H]1CCOC1 941322091 WXULHXFNVTVAPH-MGPQQGTHSA-N 306.362 -0.222 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C2CN(CC(=O)N3CCC3)C2)CC1 941344316 GWDXKMCBLVPFSF-ZDUSSCGKSA-N 319.409 -0.793 30 20 DBED CCN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CCN(C(=O)C(N)=O)C1 942731191 UQLMIXPCUBUKOX-JTQLQIEISA-N 303.322 -0.565 30 20 DBED C=CCN1CCC2(CC1)CN(C(=O)[C@H]1CN(C)C(=O)N1)CCO2 949156219 AINUHDJGAAUHPW-CYBMUJFWSA-N 322.409 -0.111 30 20 DBED O=C(Cn1cnnc1O)N[C@H]1CCCN(C(=O)C#CC2CC2)C1 950758043 CZYGQGORJKHTSB-LBPRGKRZSA-N 317.349 -0.496 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CCC[C@H](C1)N2C(=O)[C@@H]1COC(=O)N1 952784497 LVXAOLJUSYUHPI-YFKTTZPYSA-N 320.349 -0.154 30 20 DBED C[C@H](NC(=O)c1ccc(C#N)[nH]1)[C@@H]1CCCCN1C(=O)C(N)=O 953649379 OFFHOFQWEJYCTC-CABZTGNLSA-N 317.349 -0.129 30 20 DBED C#CCCN1C[C@@H](O)[C@H](CNC(=O)c2cnc3n2CCC3)C1 958150192 ZREFLVPVSZRGTO-TZMCWYRMSA-N 302.378 -0.125 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C2=COCCC2)C1 958729531 PBZQTBATRXURRQ-WXHSDQCUSA-N 307.350 -0.130 30 20 DBED Cc1nnccc1C(=O)N(C)[C@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1O 958902336 IWRUYHSCAPTKSH-XDTLVQLUSA-N 317.349 -0.412 30 20 DBED Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)n1C 961519732 SHIPDNBQAZFNRJ-XWIASGKRSA-N 304.350 -0.205 30 20 DBED C=C(C)CCN1C[C@H]2C(NC(=O)Cn3nc(C)n(C)c3=O)[C@@H]2C1 962433809 ZKDCLMYQJIFHID-CHWSQXEVSA-N 319.409 -0.097 30 20 DBED C=C(C)CN1C[C@H]2C(NC(=O)CN3C(=O)NC(C)(C)C3=O)[C@@H]2C1 962447431 BVSMQZHLUAWKTC-GHMZBOCLSA-N 320.393 -0.061 30 20 DBED C=CCCN1C[C@H]2C(NC(=O)c3cn(C)c(=O)nc3O)[C@@H]2C1 962531444 DEGWZJYKHFKXJM-NXEZZACHSA-N 304.350 -0.278 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H]1COCCN1C(=O)C1CC1 964232759 UAIHPZPGWOMCFC-GJZGRUSLSA-N 319.405 -0.162 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CN(C(=O)c3ccncn3)CCO2)C1 965455014 PSKPESLWNIMWCR-NSHDSACASA-N 315.333 -0.310 30 20 DBED C[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1O 969547560 WZBUKJUWKIYJFK-DXLKZPDWSA-N 302.334 -0.156 30 20 DBED CC(C)c1cc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)n[nH]1 970853801 PBYNEMWKXRKIRW-WQAKAFBOSA-N 319.365 -0.006 30 20 DBED C#CCN1C[C@H]2CC[C@H]1CN2C(=O)c1cnc(O)n(C)c1=O 971676436 YNQNLUVKXKHHJK-WDEREUQCSA-N 302.334 -0.592 30 20 DBED C#CCCN1CCO[C@@]2(CCN(C(=O)[C@H]3CCC(=O)NC3)C2)C1 972442898 BGLUYJUAXXCBDF-YOEHRIQHSA-N 319.405 -0.161 30 20 DBED Cc1ncnc(O)c1C(=O)N1CC[C@]2(CN(CC#N)CCO2)C1 972510628 CAWBRZNYQDFDBV-HNNXBMFYSA-N 317.349 -0.069 30 20 DBED CC#CCN1C[C@H]2C[C@H](NC(=O)Cn3cnnn3)CC[C@H]2C1 979513051 JYDILHMPNCGCSG-BFHYXJOUSA-N 302.382 -0.087 30 20 DBED C#CCN1CCCC2(C1)CN(C(=O)CN1CCC(=O)NC1=O)C2 982103869 CUFGULHULQQPID-UHFFFAOYSA-N 318.377 -0.514 30 20 DBED CN(C[C@@H]1CCN(C(=O)CC(N)=O)C1)C(=O)c1c[nH]c(C#N)c1 987858881 XESUHLDJXPSTJU-JTQLQIEISA-N 317.349 -0.318 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)C(N)=O)[C@@H]1C 988278733 MOGXUHNYXBMADA-RHYQMDGZSA-N 309.366 -0.442 30 20 DBED CN1CCOC[C@@H]1C(=O)NC1CN(C(=O)c2ccc(C#N)[nH]2)C1 990921669 OSRJQXLBFMPOIS-CYBMUJFWSA-N 317.349 -0.842 30 20 DBED C#CCCN1CCC[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)[C@@H]1C 994216445 VKUAZEQVRHZZCF-QWHCGFSZSA-N 320.393 -0.127 30 20 DBED C=CCN[C@@H]1CN(C(=O)CCn2ncn(C)c2=O)CC1(C)C 996099554 MUHCRAWBKPIRLJ-GFCCVEGCSA-N 307.398 -0.016 30 20 DBED C#Cc1ccccc1CC(=O)NC1CN(C(=O)Cn2cncn2)C1 997248404 VWWLEJRZBPKZQM-UHFFFAOYSA-N 323.356 -0.171 30 20 DBED N#Cc1ccc(C(=O)N2CC(NC(=O)[C@H]3CC[C@H]3C(N)=O)C2)[nH]1 997406192 QHAAOXHPRPPUJP-MNOVXSKESA-N 315.333 -0.662 30 20 DBED C#CCCN1CCC(CNC(=O)c2cn(C)c(=O)nc2O)CC1 1002118717 SARGJSDNNLEOJT-UHFFFAOYSA-N 318.377 -0.049 30 20 DBED Cn1ccc(=O)c(C(=O)NCC2CN(C(=O)C#CC3CC3)C2)c1 1003414832 ZFOPZVOJQNXTGR-UHFFFAOYSA-N 313.357 -0.013 30 20 DBED CCn1cc(C(=O)NCC2CN(C(=O)C#CC3CC3)C2)nn1 1003993769 UJRBXELDVXFEPI-UHFFFAOYSA-N 301.350 -0.100 30 20 DBED C=C(Cl)CN1CC[C@H](NC(=O)CN2CCOCC2=O)C1 1014738239 VFXUNEDIQXYGGZ-NSHDSACASA-N 301.774 -0.212 30 20 DBED N#Cc1cccc(CN2CC[C@H](NC(=O)[C@@H]3CNC(=O)N3)C2)c1 1015636011 ZNPIVPVASCLPAN-KBPBESRZSA-N 313.361 -0.070 30 20 DBED CN1CCN(CC(=O)N[C@H]2CC23CCN(CC#N)CC3)CC1=O 1016696967 CBBJASDPTWMSFO-ZDUSSCGKSA-N 319.409 -0.745 30 20 DBED Cn1cc(C(=O)N[C@H]2CC23CCN(CC#N)CC3)n(C)c1=O 1016990479 NKDZZEWJCYVFIM-LBPRGKRZSA-N 303.366 -0.168 30 20 DBED C[C@@H](C#N)C(=O)N1CC=C(CNC(=O)[C@H]2CCCNC2=O)CC1 1017513937 GNAXVAXWSKTESI-AAEUAGOBSA-N 318.377 -0.053 30 20 DBED C[C@H]1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)CN1C(=O)CC(N)=O 1018072179 WKONLYMFKDYOBZ-ONGXEEELSA-N 317.349 -0.129 30 20 DBED C[C@H]1CCN(C(=O)C(N)=O)C[C@H]1CNC(=O)c1c[nH]c(C#N)c1 1018617553 IVONBVHPFRKLHX-GXSJLCMTSA-N 317.349 -0.414 30 20 DBED C=CCN1CC[C@H](N[C@H]2C[C@@H](NC(=O)[C@@H]3COC(=O)N3)C2)C1=O 1022035998 DIZVNSYHWKGHJX-USZNOCQGSA-N 322.365 -0.882 30 20 DBED CC#CCN1CC[C@H](CNC(=O)c2nccnc2C(N)=O)C1 1028974781 QSOALKHWTJVRDY-LLVKDONJSA-N 301.350 -0.350 30 20 DBED C#Cc1ccc(C(=O)NC2CN([C@@H](C)c3nnnn3C)C2)nc1 1031278274 JSGSKSRZOFNYIF-JTQLQIEISA-N 311.349 -0.238 30 20 DBED CN(C(=O)c1cnn2c(=O)cc[nH]c12)[C@H]1CCN(CC#N)C1 1033486422 WFAMGUWXQRWSEG-JTQLQIEISA-N 300.322 -0.308 30 20 DBED C=CCN1CC[C@@H](N(CC)C(=O)c2cn(C)c(=O)n(C)c2=O)C1 1033978976 NEKQVWOIVTVTDW-GFCCVEGCSA-N 320.393 -0.194 30 20 DBED N#CCN1CCO[C@@H](CNC(=O)c2cnc3[nH]cnc3c2)C1 1035380593 IMWBGJOJYDUEKC-NSHDSACASA-N 300.322 -0.088 30 20 DBED C#CCCN1CCO[C@H](CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 1035415577 GPVNWZJNQOTHBM-RBSFLKMASA-N 309.410 -0.454 30 20 DBED N#CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1cncc(-n2ccnn2)c1 1037518987 SNGRGBIFMGJQSP-KWCYVHTRSA-N 309.333 -0.012 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)COCC2CC2)C1 1040763625 QLEWPYYMQPVRFY-NHYWBVRUSA-N 309.366 -0.348 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)CN2CCCC2)C1 1040766074 MLXJAXIRMKBISB-WFASDCNBSA-N 308.382 -0.679 30 20 DBED C=CCCC(=O)N1CC[C@@](O)(CNC(=O)[C@H](COC)OC)C1 1040843531 QYRAZIYRXMWDSX-SWLSCSKDSA-N 314.382 -0.306 30 20 DBED Cc1cc(N2C[C@@H](O)[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)ncn1 1040962326 XCCJSOCKFCIJCI-CHWSQXEVSA-N 312.333 -0.036 30 20 DBED N#CCN1CC[C@@]2(CCN(C(=O)Cn3ccc(O)nc3=O)C2)C1 1041449579 NEIGOOAQEBGNPT-OAHLLOKOSA-N 317.349 -0.603 30 20 DBED C#CCN1CC[C@@]2(CCN(C(=O)CN3CC(=O)NC3=O)C2)C1 1041743844 PETWTYXADRJYIA-OAHLLOKOSA-N 304.350 -0.904 30 20 DBED C#CCCCCC(=O)N1CC(O)(CNC(=O)CN2CCCC2)C1 1043123214 ABUQPIOGLABTIN-UHFFFAOYSA-N 321.421 -0.035 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)CCN2CCCC2=O)C1 1043152817 DABGUFFHKCYSBK-UHFFFAOYSA-N 323.393 -0.345 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)[C@H](C)OCC=C)C1 1043570912 LFHVNGKTTXFJFG-LBPRGKRZSA-N 312.366 -0.530 30 20 DBED C=CCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2COC(=O)N2)C1 1045450976 HQTPOZPOGCMOJN-JTQLQIEISA-N 311.338 -0.859 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)CCc2cnn(C)c2)C1 1045560756 ZIFPSMSXXAWQQT-LLVKDONJSA-N 319.365 -0.798 30 20 DBED C#CCN1[C@H]2CC[C@H]1CN(C(=O)[C@H]1COCCN1C(C)=O)CC2 1045893953 KCNBWJBMMDNTPS-HRCADAONSA-N 319.405 -0.068 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCn3cncc3C2)C1 1047433133 YLAVUXJKVPUKOM-SNPRPXQTSA-N 302.378 -0.418 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCn3ccnc3C2)C1 1047435970 QJMBFHSPPOZXQD-IHRRRGAJSA-N 302.378 -0.418 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2c(C)ncnc2O)C1 1047497209 SAGUEFUPFRWRCO-RYUDHWBXSA-N 304.350 -0.369 30 20 DBED C#CCCCC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C[C@@H]1O 1048757644 LAXADKRWQBGBGS-HCZIRCDUSA-N 320.389 -0.288 30 20 DBED CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)CN1CCNC(=O)C1 1049639267 OJBGBWKVUHOIIR-LSDHHAIUSA-N 318.421 -0.493 30 20 DBED C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)CN1C(=O)CN(C)C1=O 1049883010 GMMMIXLWBDRTHI-QWHCGFSZSA-N 318.377 -0.421 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)c1ccc2nnc(O)n2c1 1051162791 XSVSTXLVTVLHAS-GFCCVEGCSA-N 315.333 -0.501 30 20 DBED C=CCN1CCOC[C@@H]1CNC(=O)c1cn(C)c(=O)nc1O 1051243892 OKBKPIQHGKBTBZ-JTQLQIEISA-N 308.338 -0.898 30 20 DBED C#CCN1CCC(C(=O)NC[C@@H]2COCCN2C[C@@H](C)O)CC1 1051256642 XUNWCYWRWLEZTQ-GDBMZVCRSA-N 323.437 -0.471 30 20 DBED CN1CCC[C@H](NC[C@@H]2CN(C(=O)C#CC3CC3)CCO2)C1=O 1051609019 MOYHOXSRICYIDG-CABCVRRESA-N 319.405 -0.162 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1C 1051921401 KSUUOYXLNWVNIJ-STQMWFEESA-N 318.381 -0.457 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1C 1052662415 TYNUQNHOBYAVPP-STQMWFEESA-N 318.381 -0.457 30 20 DBED C=CCCN1CC2(C1)CN(C(=O)CCn1cnnn1)CCO2 1053483287 JTPAAJDHKZJYGN-UHFFFAOYSA-N 306.370 -0.448 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)c3cnn4ncccc34)CO2)C1 1053830482 CNLLBCVKYXTPGD-LLVKDONJSA-N 312.333 -0.174 30 20 DBED C#CCN1CC[C@]2(CCCN(C(=O)C3CS(=O)(=O)C3)C2)C1 1054138315 NRLZPEHDJLXSOY-OAHLLOKOSA-N 310.419 -0.021 30 20 DBED C#CCCCC(=O)N1CCC[C@@](CO)(NC(=O)CNC(C)=O)C1 1055717259 BQMRVDXDRKDUCN-MRXNPFEDSA-N 323.393 -0.604 30 20 DBED N#Cc1cncc(N2CCN(C(=O)CCn3cnnn3)CC2)n1 1055883179 XJMIZEBWIYSEKG-UHFFFAOYSA-N 313.325 -0.926 30 20 DBED C=CCCn1cc(C(=O)N[C@]2(CO)CCCN(C(C)=O)C2)nn1 1055963089 ODELYPFDYGLAAG-OAHLLOKOSA-N 321.381 -0.043 30 20 DBED C[C@@H](C#N)C(=O)N[C@]1(CO)CCCN(C(=O)c2cc[nH]n2)C1 1056092915 FNGNRCCILQKUOW-IINYFYTJSA-N 305.338 -0.347 30 20 DBED Cc1c[nH]c(C(=O)N2CCC[C@@](CO)(NC(=O)[C@H](C)C#N)C2)n1 1056097945 XOLQSINHEWYCFK-MEBBXXQBSA-N 319.365 -0.039 30 20 DBED C=C[C@](C)(O)CC(=O)NCCN(CCO)C(=O)c1cccn1C 1056986881 LATISVFPAZJEQZ-INIZCTEOSA-N 323.393 -0.097 30 20 DBED C=CCO[C@H](C)C(=O)NCCN(CCO)C(=O)c1cc(C)[nH]n1 1057106116 FMGGBSSLEVOXJT-GFCCVEGCSA-N 324.381 -0.140 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)c1cn(CC)nn1 1057168795 SGEQTDZUUXGMRE-UHFFFAOYSA-N 309.370 -0.185 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)[C@@H]1CC[C@H]1C(N)=O 1058294959 WFASQMGARMRRDM-VXGBXAGGSA-N 311.382 -0.599 30 20 DBED N#Cc1cncc(N[C@H]2CCN(C(=O)C[C@@H]3CCNC3=O)C2)n1 1058983223 YDCCENXXZUUSFO-QWRGUYRKSA-N 314.349 -0.113 30 20 DBED CN1CC[C@H](C(=O)N2CC[C@H](CN=c3cc[nH]c(C#N)n3)C2)C1 1060879710 LCJVFYJSLWABBL-OLZOCXBDSA-N 314.393 -0.018 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCOC[C@@H]1CNC(=O)c1cc[nH]n1 1061332191 SZGHUMAVAYQVJC-RYUDHWBXSA-N 322.365 -0.042 30 20 DBED C=CCC(C)(C)C(=O)NC[C@@H]1COCCN1C(=O)CC(N)=O 1061590991 BMBWYMPDYONQLK-LLVKDONJSA-N 311.382 -0.192 30 20 DBED C=CCCCC(=O)N1CCOC[C@@H]1CNC(=O)[C@H]1CCNC1=O 1061747979 CYOBCQFOWFZMQI-STQMWFEESA-N 323.393 -0.178 30 20 DBED O=C(C#CC1CC1)NC1(CNC(=O)[C@H]2COC(=O)N2)CCC1 1062898546 NBVYYAVRNWORKE-LLVKDONJSA-N 305.334 -0.337 30 20 DBED CN(C(=O)Cn1ncnn1)[C@H]1CCN(c2ccc(C#N)nn2)C1 1062980348 KFIQHTVHELBZPI-NSHDSACASA-N 313.325 -0.928 30 20 DBED O=C(C#CC1CC1)NC1(CNC(=O)CCn2cnnn2)CCC1 1064200370 WLBNFJSXPISCGL-UHFFFAOYSA-N 316.365 -0.368 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2)CCO1 1064973712 CGYOJMAQPPCUQU-CHWSQXEVSA-N 321.377 -0.732 30 20 DBED CN(C)CCC(=O)NC[C@@H]1CN(C(=O)C#CC2CC2)CCO1 1065137040 KVDSFNIYGNFZRE-CQSZACIVSA-N 307.394 -0.305 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CCNC2=O)CCO1 1065422721 UCPRVDDCOLCGRY-CHWSQXEVSA-N 321.377 -0.875 30 20 DBED N#Cc1nccc(N2CC[C@H]3[C@@H]2CCCN3C(=O)C(N)=O)n1 1066183128 LOSYNEUAHSEMQN-UWVGGRQHSA-N 300.322 -0.597 30 20 DBED N#Cc1nccnc1N1C[C@@H](O)[C@@H](CNC(=O)c2ccccn2)C1 1067642760 KAZTUSNHISEMDD-SMDDNHRTSA-N 324.344 -0.030 30 20 DBED N#Cc1cccnc1N1C[C@H](CNC(=O)c2cncnc2)[C@@H](O)C1 1067664641 FSLQZTXAAIKRBA-KBPBESRZSA-N 324.344 -0.030 30 20 DBED Cc1cc(=NC[C@@H]2C[C@@H](C)N(C(=O)C(N)=O)C2)c(C#N)c[nH]1 1068369779 ZQOGUTZJCKUVTA-MNOVXSKESA-N 301.350 -0.182 30 20 DBED CC#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H]2COCCO2)C1 1069898628 SNMMZSRRQCTAKV-RDBSUJKOSA-N 319.365 -0.942 30 20 DBED CCNC(=O)CC(=O)NCC1(NC(=O)[C@@H](C)C#N)CCOCC1 1070230683 BHZKNBSVBYRJHV-NSHDSACASA-N 324.381 -0.546 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1c1cn(C)cn1 1070546572 DFOIAFXTIUHZCZ-SMDDNHRTSA-N 313.365 -0.620 30 20 DBED C=CCOCC(=O)N1CCC[C@@H](NC(=O)C[C@H]2CCNC2=O)C1 1070552123 DWUVHZJWZKLWHB-CHWSQXEVSA-N 323.393 -0.178 30 20 DBED COc1cc(C(=O)N2CC[C@H]3OCCN(CC#N)[C@H]3C2)ncn1 1074242113 SJGDAUHCXSYXJJ-QWHCGFSZSA-N 317.349 -0.076 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)Cc3cn(CC)nn3)C[C@@H]21 1074302655 URJFWXRVCILPKV-GJZGRUSLSA-N 317.393 -0.225 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CCN(C(=O)C2CC2)CC1 1074398588 CAVXTWIWJXTUNI-LBPRGKRZSA-N 308.378 -0.096 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CCN(C(=O)Cn2cccn2)CC1 1074469525 ALJMWUANOJXRMJ-GFCCVEGCSA-N 319.365 -0.488 30 20 DBED C=CCOCC(=O)N1CC[C@H](NC(=O)Cn2nccn2)C[C@H]1C 1075005594 CFUWDWKXRFIESU-OLZOCXBDSA-N 321.381 -0.024 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)[C@H]1CC1(F)F 1076391850 XOIQKENGOZLJJT-VHSXEESVSA-N 315.320 -0.208 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2cncc(N3CCCC3)n2)C1 1077783423 GDWCYSQFFZDPMX-CHWSQXEVSA-N 316.365 -0.625 30 20 DBED C=CCN[C@@H]1C[C@H](NC(=O)c2cn(CC(N)=O)nn2)C12CCC2 1078819353 MLFVLGUOWIRWQT-NEPJUHHUSA-N 318.381 -0.420 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)CCCOC)C[C@H]1O 1081344904 WKHVGIDKSFQISB-CHWSQXEVSA-N 314.382 -0.449 30 20 DBED C=C(C)CCC(=O)N1C[C@H](CNC(=O)c2cn(C)nn2)[C@@H](O)C1 1081453116 PYSBQXQVFXKSSM-AAEUAGOBSA-N 321.381 -0.280 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)Cn2ccnc2)C[C@@H]1O 1081462979 IKTJSZBYKRBLPS-KBPBESRZSA-N 318.377 -0.522 30 20 DBED C#CCN1CCC(C(=O)N[C@@H]2CN(C[C@@H](C)O)C[C@H]2OC)CC1 1082384337 QIRXDXLZAZLCQT-FVQBIDKESA-N 323.437 -0.472 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H](C)S(C)(=O)=O 1083120938 MVSCGXFLQINQAV-RWMBFGLXSA-N 314.407 -0.646 30 20 DBED CCOc1cnc(C(=O)N2CCO[C@@H]3CN(CC#N)C[C@@H]32)cn1 1083292239 WGCXRWMUJIMAFV-QWHCGFSZSA-N 317.349 -0.076 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)[C@H]2CN(C)CCO2)C1 1083384996 AYRIJOXUWGQRDZ-GRYCIOLGSA-N 303.790 -0.769 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)c2ccc3c(c2)nnn3C)C1 1083571051 DILQOQNUVULRLW-HIFRSBDPSA-N 313.361 -0.234 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(Cc2csnn2)C[C@@H]1O 1083790224 WFUWOKTVSYUHJY-NDBYEHHHSA-N 324.406 -0.210 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)Cn2c(C)cc(C)nc2=O)C1 1083894389 CKBFLYOXSWHKBL-KGLIPLIRSA-N 318.377 -0.955 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)c2nccn3cc(C)nc23)C1 1083929093 NINQHSZUVAFEIR-NEPJUHHUSA-N 301.350 -0.001 30 20 DBED C=CCCN1CC[C@@H]2CN(C(=O)CN3C(=O)CNC3=O)[C@@H]2C1 1084818409 ZNVGWXWDVZZQIV-VXGBXAGGSA-N 306.366 -0.353 30 20 DBED C=C(C)CN1CC[C@H]1CN(C)C(=O)c1cn(C)c(=O)n(C)c1=O 1085850231 RBMUWAIWACSOPA-LBPRGKRZSA-N 320.393 -0.194 30 20 DBED CCN(c1nccnc1C#N)[C@H](C)CNC(=O)[C@H]1CNC(=O)N1 1089728963 VXDVQCCDGNXFJE-MWLCHTKSSA-N 317.353 -0.639 30 20 DBED CN(C)C(=O)CN1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@H](O)C1 1090194307 HXZRFTUDTIVRMP-CHWSQXEVSA-N 319.365 -0.860 30 20 DBED C[C@H]1[C@@H](Nc2cnc(C#N)cn2)CCN1C(=O)CNC(N)=O 1090195380 UTJNHZKHJCTYCL-WPRPVWTQSA-N 303.326 -0.582 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2ccn(C)c(=O)c2)[C@@H](O)C1 1090368940 UAQDHFLCGFVONR-KBPBESRZSA-N 303.362 -0.426 30 20 DBED C=CCCN1CC[C@H](NC(=O)c2cccnc2C(N)=O)[C@@H](O)C1 1090824345 MGEKCIAURHPJMK-STQMWFEESA-N 318.377 -0.078 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CN(c2ncnc3c2ncn3C)C[C@@H]1O 1091079898 ZCLWBYHOKLEYRT-AEJSXWLSSA-N 315.337 -0.811 30 20 DBED N#Cc1nccc(N2CCN(C(=O)C(=O)NCC(F)F)CC2)n1 1093185505 YUBYBNIBNIKXSG-UHFFFAOYSA-N 324.291 -0.622 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@@H]2CN(c3nccnc3C#N)C[C@@H]12 1093265600 IWOASGMSSBTBOE-GHMZBOCLSA-N 324.344 -0.961 30 20 DBED Cc1nc2nccc(C(=O)NCCNc3nccnc3C#N)n2n1 1093759880 CQNJNYWRVFPNDO-UHFFFAOYSA-N 323.320 -0.064 30 20 DBED N#Cc1nc(=NCCNC(=O)[C@H]2CCc3nn[nH]c3C2)cc[nH]1 1093760987 LXBJYFVLKZRDFC-VIFPVBQESA-N 312.337 -0.779 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCCNc1ncnc2c1nnn2C 1094131965 JIAHETUVWDBUTG-ZJUUUORDSA-N 317.353 -0.123 30 20 DBED CCN1C[C@@H](C(=O)NCCNc2cnc(C#N)cn2)CC1=O 1094190831 YFKWZYADGJEQEW-JTQLQIEISA-N 302.338 -0.255 30 20 DBED N#Cc1c[nH]ccc1=NCCCNC(=O)CCn1cnnn1 1094541001 ALAZXLDXFOLHBB-UHFFFAOYSA-N 300.326 -0.630 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)c3cncc(C#C)c3)CC2=O)C1 1094782886 GXPGTJGKVBGZLG-OAHLLOKOSA-N 322.368 -0.289 30 20 DBED CN(C)C(=O)CC(=O)N1CCCN(c2cnc(C#N)cn2)CC1 1095207790 XNVMOZGJMCYUDR-UHFFFAOYSA-N 316.365 -0.135 30 20 DBED CC(=O)NCC(=O)N1CCC(CN=c2cc[nH]c(C#N)n2)CC1 1095251048 HLUJYVNUWQOBHI-UHFFFAOYSA-N 316.365 -0.443 30 20 DBED CN(CCCNC(=O)[C@@H]1CCC(=O)NC1)c1nccnc1C#N 1095777606 KZGDNGBRTLXQQD-LLVKDONJSA-N 316.365 -0.183 30 20 DBED Cc1cc(C#N)nc(N2CCC[C@@H](NC(=O)CC(N)=O)C2)n1 1096144024 HCCZBLUMKAYCLB-SNVBAGLBSA-N 302.338 -0.383 30 20 DBED N#Cc1nccnc1N1CCC[C@H](CNC(=O)CNC(N)=O)C1 1097286332 KENIJGKZZSTROX-SNVBAGLBSA-N 317.353 -0.651 30 20 DBED N#Cc1cncc(NC[C@H]2CCN(C(=O)CCNC(N)=O)C2)n1 1098529784 RELBZRGCMICGHY-SNVBAGLBSA-N 317.353 -0.333 30 20 DBED C#CCNCc1cn([C@@H]2CCN(C(=O)CCN(C)C)C2)nn1 1098722950 RIUAKJMPMGHGFE-CQSZACIVSA-N 304.398 -0.274 30 20 DBED C[C@@H](CCNC(=O)c1nnn(C)n1)Nc1cncc(C#N)n1 1099620674 AXXVCXXWFIWVDK-QMMMGPOBSA-N 301.314 -0.508 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)c2ccoc2)[C@H](O)C1 1099659647 IQUPMNIXNHAJEO-CHWSQXEVSA-N 305.334 -0.806 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2cc(C)nn2C)[C@H](O)C1 1099697597 BQBSVMJFOIZCKO-UKRRQHHQSA-N 320.393 -0.457 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2[nH]c(O)nc2C)[C@H](O)C1 1099885429 MUOAAHQAVTXEMC-VXGBXAGGSA-N 322.365 -0.761 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)CS(=O)(=O)CC)[C@H](O)C1 1100129409 MBXFPXIXIYRVJR-NWDGAFQWSA-N 304.412 -0.451 30 20 DBED CN1CC[C@@H](C(=O)NCCN(C)c2ccnc(C#N)n2)C1=O 1100273024 BSRDPQIVMFYGKV-JTQLQIEISA-N 302.338 -0.621 30 20 DBED C#CCCCC(=O)NCC1CC(NCC(=O)NC(=O)NC)C1 1100283418 KPQDJVXDQSXRMS-UHFFFAOYSA-N 308.382 -0.270 30 20 DBED CN(CCNC(=O)C1(C(N)=O)CC1)c1ncc(C#N)cc1F 1100293878 SHNJTXXKXZIBRF-UHFFFAOYSA-N 305.313 -0.090 30 20 DBED Cc1cc(C#N)nc(N(C)CCNC(=O)[C@@]2(C)CCNC2=O)n1 1100325599 NYGBUBHHFVEBNP-HNNXBMFYSA-N 316.365 -0.265 30 20 DBED CN(CCNC(=O)CN1CCCNC1=O)c1ccc(C#N)nn1 1100408322 DGQQZLAMJNAJBV-UHFFFAOYSA-N 317.353 -0.684 30 20 DBED CN(CCNC(=O)c1ccnc2[nH]nnc12)c1nccnc1C#N 1100415099 XYYCUDOFKXJTKS-UHFFFAOYSA-N 323.320 -0.119 30 20 DBED CCc1nc(C#N)cc(N2CC[C@@H](CNC(=O)C(N)=O)C2)n1 1101048629 LWQIAHLKYCOHLG-VIFPVBQESA-N 302.338 -0.662 30 20 DBED C#CCN1CC[C@@H](Oc2ccnc(CNC(=O)C(N)=O)c2)C1 1101096819 BZISWKGOANELMJ-CYBMUJFWSA-N 302.334 -0.731 30 20 DBED CCCN(CCNC(=O)[C@@H]1CNC(=O)N1)c1ccc(C#N)cn1 1101235653 BMLXSAPWTJPBQA-LBPRGKRZSA-N 316.365 -0.033 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)C[C@@H]1CCNC1=O 1104108833 RSOBPIGGGQMQPQ-QWRGUYRKSA-N 316.365 -0.539 30 20 DBED Cc1cc(=NC[C@H](C)CNC(=O)[C@@H]2CCNC2=O)c(C#N)c[nH]1 1104157664 RDZQJXMDMFBUSY-GXFFZTMASA-N 315.377 -0.016 30 20 DBED CNC(=O)NCCC(=O)N(C)[C@H](C)CNc1ccc(C#N)nn1 1104546837 HPJOANCGIAWDAU-SNVBAGLBSA-N 319.369 -0.074 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)CC(=O)N(C)C 1104835088 KKJMPAGJQOOEJD-SNVBAGLBSA-N 304.354 -0.493 30 20 DBED CN(CCN(C)c1ccc(C#N)nn1)C(=O)CN1CCCC1=O 1105344647 PQDNEWKJQLCIKT-UHFFFAOYSA-N 316.365 -0.135 30 20 DBED CN(CCN(C)c1ccnc(C#N)n1)C(=O)[C@H]1CCCNC1=O 1105486252 TXKGNUYDVZPLAX-NSHDSACASA-N 316.365 -0.231 30 20 DBED CCc1nc(C#N)cc(NC[C@@H](O)CNC(=O)[C@H]2CCOC2)n1 1105738693 YPBXGQTZBLWCAJ-CMPLNLGQSA-N 319.365 -0.164 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H](O)CNC(=O)CC1(O)CCC1 1105810397 SFFMTXDDRJBVGC-LBPRGKRZSA-N 304.350 -0.431 30 20 DBED CNC(=O)NCCC(=O)NC[C@H](O)CNc1ccc(C#N)nc1 1105815467 JQZQGUACPXQVBA-GFCCVEGCSA-N 320.353 -0.839 30 20 DBED Cc1cn(C)nc1C(=O)NC[C@H](O)CNc1cnc(C#N)cn1 1105819089 UCVXMWKZMGOEET-LLVKDONJSA-N 315.337 -0.407 30 20 DBED N#Cc1cnc(NC[C@H](O)CNC(=O)[C@H]2COC(=O)N2)c(F)c1 1105834936 BXLLGTQHRCKLNO-WCBMZHEXSA-N 323.284 -0.910 30 20 DBED C#CCOCCC(=O)NC[C@@H](O)CNc1cc(C)nc(CO)n1 1105967347 ZRJJLWCWUYEVIO-LBPRGKRZSA-N 322.365 -0.794 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H](O)CNc1nc(C)cc(OC)n1 1105970603 KHSIEVSPDBAFOZ-VXGBXAGGSA-N 322.365 -0.279 30 20 DBED Cc1nocc1C(=O)NC[C@H](O)CNc1cncc(C#N)n1 1106083800 UGYOTWMMRLBBHU-SNVBAGLBSA-N 302.294 -0.153 30 20 DBED C[C@H]1CCN(CC(=O)NC[C@H](O)CNc2cnc(C#N)cn2)C1 1106104080 HGHBAADYPMKQKB-WCQYABFASA-N 318.381 -0.421 30 20 DBED C[C@@H]1CN(C(=O)CCNC(=O)[C@@H]2CCCO2)C[C@H]1CNCC#N 1107086401 WAIYTPRNBXIHJP-MCIONIFRSA-N 322.409 -0.121 30 20 DBED C#CCNC(=O)CC(=O)NC/C=C\CNc1nccnc1C#N 1107130106 DDCSXPLZNOEHOB-ARJAWSKDSA-N 312.333 -0.428 30 20 DBED C#CCCN1CCO[C@](C)(CNC(=O)[C@H]2CN(C)CCO2)C1 1107839082 JTTHBLKUTLFOMA-GDBMZVCRSA-N 309.410 -0.453 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)[C@@H]2CCCN2CC#C)C1 1108001372 BHYOWGBZMAATBH-RDJZCZTQSA-N 303.406 -0.076 30 20 DBED C[C@@H](CNc1cnc(C#N)cn1)NC(=O)[C@H]1CCNC(=O)C1 1108335530 NSXNXEYOIYRWBL-UWVGGRQHSA-N 302.338 -0.209 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)[C@H]1CN(C)C[C@@H](C)O1 1108768460 BVUGEXFLQNGMOE-QJPTWQEYSA-N 318.381 -0.594 30 20 DBED CC(=O)N[C@H](C)C(=O)N[C@@H](C)CN(C)c1ccnc(C#N)n1 1108817511 CXWNFOVGFCTWOP-VHSXEESVSA-N 304.354 -0.186 30 20 DBED N#Cc1nccnc1NC[C@@H](NC(=O)[C@H]1COC(=O)N1)C1CC1 1109832485 HJBINIIWHJTHTO-GHMZBOCLSA-N 316.321 -0.237 30 20 DBED N#Cc1ccc(NC2(CNC(=O)[C@@H]3CC[C@@H]3C(N)=O)CC2)nn1 1110300349 VYWWBWJIVXIDFI-WDEREUQCSA-N 314.349 -0.080 30 20 DBED C[C@@]1(NC(=O)CNC(N)=O)CCN(c2ccncc2C#N)C1 1110709273 VZZSVHSHEXAHDC-CQSZACIVSA-N 302.338 -0.293 30 20 DBED N#Cc1cncc(NC2(CNC(=O)CC(N)=O)CCOCC2)n1 1110979364 GUWDJKYEQGWNIW-UHFFFAOYSA-N 318.337 -0.699 30 20 DBED CO[C@@H](C)C(=O)NC[C@@]1(O)CCN(c2ccnc(C#N)n2)C1 1111025865 LLIKVTVFRVRCFP-HZMBPMFUSA-N 305.338 -0.559 30 20 DBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1ncccn1 1111170305 JMUJOKXAQBBOKI-UTUOFQBUSA-N 314.349 -0.549 30 20 DBED C[C@H](CC(N)=O)C(=O)N(CCO)CCNc1cncc(C#N)n1 1111535377 PZCJOXWNPBAJBC-SNVBAGLBSA-N 320.353 -0.907 30 20 DBED Cc1cc(N2CCOC[C@H]2CNC(=O)[C@@H](C)C#N)nc(CO)n1 1111663132 OSDBMZLVUQDROY-CMPLNLGQSA-N 319.365 -0.242 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CCN(c2ccc(C#N)nn2)[C@H](C)C1 1112470712 YYQBPHMSVBXZJF-GHMZBOCLSA-N 316.365 -0.042 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)C2=COCCC2)CC1 1112679036 NJHNMPISCXYJPM-ZDUSSCGKSA-N 305.378 -0.037 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)[C@H](C)n2cncn2)CC1 1112770727 XDVMYGPBYLGXMZ-STQMWFEESA-N 320.397 -0.326 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)Cn2nccn2)CC1 1112893578 QSZBQRLWZFRDKE-GFCCVEGCSA-N 306.370 -0.887 30 20 DBED C[C@H](Nc1ccc(C#N)nn1)[C@@H](C)NC(=O)Cn1cnnc1O 1112977497 BFHIBIICACRCBM-DTWKUNHWSA-N 316.325 -0.349 30 20 DBED C[C@H](Nc1nccnc1C#N)[C@@H](C)NC(=O)Cn1ncnn1 1113193082 DRNDAWPMGZDWRU-BDAKNGLRSA-N 301.314 -0.660 30 20 DBED C#CCCCCCC(=O)N1CCN(CC(=O)NC(N)=O)CC1 1113200076 VNINFEMFLHGYSG-UHFFFAOYSA-N 308.382 -0.091 30 20 DBED COCC#CCN1CCN(C(=O)c2cncc(OC)n2)CC1 1113404026 XYGUDWAASCQQOD-UHFFFAOYSA-N 304.350 -0.107 30 20 DBED C[C@@H](CNC(=O)CNC(=O)C1CC1)N(C)c1cncc(C#N)n1 1113505013 NRKWXGZRGFFSPZ-JTQLQIEISA-N 316.365 -0.185 30 20 DBED C[C@H](CNC(=O)Cn1cnnc1O)N(C)c1ncccc1C#N 1113568766 NNFFPEDGOFOFNA-SNVBAGLBSA-N 315.337 -0.109 30 20 DBED C[C@H](c1nnnn1C)N1C[C@H]2[C@H](NC(=O)CSCC#N)[C@H]2C1 1113896509 CMJPNFHRIJEELW-SVDPJWKOSA-N 321.410 -0.426 30 20 DBED N#CCSCC(=O)NC1[C@@H]2CN(CCNC(=O)C3CC3)C[C@@H]12 1113899483 NPDQZSINCCHBRZ-VXGBXAGGSA-N 322.434 -0.184 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)C3=COCCC3)[C@@H]2C1 1114002154 JJINXJROFOUFNF-CHWSQXEVSA-N 303.362 -0.524 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)COCCCC)[C@H]2C1 1114095328 GXJRKHQFQRKPPZ-IHRRRGAJSA-N 321.421 -0.013 30 20 DBED COCCOC[C@H](O)CN1C[C@H]2C(NC(=O)C#CC(C)C)[C@@H]2C1 1114247881 QGZZXTHPFZLNHT-RBSFLKMASA-N 324.421 -0.284 30 20 DBED CC#CCN1C[C@H]2C(NC(=O)CNC(=O)c3ccncc3)[C@@H]2C1 1114314809 VTILORPSCAWRNV-ZIAGYGMSSA-N 312.373 -0.119 30 20 DBED C=CCOCCN1C[C@H]2C(NC(=O)[C@H]3CCC(=O)NC3)[C@@H]2C1 1114502689 ZHKQZAJKJVYTDO-YNEHKIRRSA-N 307.394 -0.238 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)c3coc(OC)n3)[C@H]2C1 1114624319 PSFMBKYLFJVRLK-PJXYFTJBSA-N 305.334 -0.007 30 20 DBED C=CCCN1C[C@@H]2C(NC(=O)CS(=O)(=O)N(C)C)[C@H]2C1 1115187472 ABJJECBTHOGAHV-QWRGUYRKSA-N 301.412 -0.500 30 20 DBED C[C@@H]1COCCN1CCNC(=O)C(=O)Nc1cnn(CC#N)c1 1116331547 GLGPIMSFNNKDNZ-LLVKDONJSA-N 320.353 -0.818 30 20 DBED N#Cc1ccc(NC(=O)C(=O)NCCNC(=O)C2CC2)nc1 1117746109 ATDTUFNDTZGDEM-UHFFFAOYSA-N 301.306 -0.466 30 20 DBED CC[C@@H](OC)C(=O)NC[C@@H](CO)Nc1nc(C)cc(C#N)n1 1121177561 MPNMUWGUIAWWTA-NWDGAFQWSA-N 307.354 -0.029 30 20 DBED Cn1cc(C(=O)NC[C@@H](CO)Nc2ncc(C#N)cc2F)nn1 1121431851 FDRPOBVGHHDHLE-VIFPVBQESA-N 319.300 -0.576 30 20 DBED CC(C)N(C)CC(=O)NC[C@@H](CO)N=c1cc[nH]cc1C#N 1121668581 HOISKKDDTBPZMZ-ZDUSSCGKSA-N 305.382 -0.396 30 20 DBED CN(C[C@H](O)CNc1ccc(C#N)cn1)C(=O)Cn1cncn1 1124346020 AUEXEVUMIJANNS-GFCCVEGCSA-N 315.337 -0.524 30 20 DBED CC(=O)NCCOCCNCCNC(=O)c1c[nH]c(C#N)c1 1125988272 SQWVFXWFTLZQBF-UHFFFAOYSA-N 307.354 -0.642 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1cn2c(n1)CCCC2 1128579021 JXPPURPQRWDRSK-GFCCVEGCSA-N 317.393 -0.323 30 20 DBED CC#CCN[C@@H]1CN(C(=O)CN2CCCC2)C[C@@H]1n1ccnn1 1130125419 NBIINJRLOLHALO-CABCVRRESA-N 316.409 -0.261 30 20 DBED C#CCN1CCOC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](CC)OC)n1 1130835743 QKICNVMCZYZHAX-VXGBXAGGSA-N 321.381 -0.148 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)[C@H](C)CC(N)=O 1132331743 WDBMGFDGEBRUEU-GFCCVEGCSA-N 310.398 -0.596 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)[C@H]1CC[C@H]1C(N)=O 1132362847 NTVADJDXFKKGSR-OLZOCXBDSA-N 322.409 -0.596 30 20 DBED C[C@@H]1CC[C@H](NC(=O)COCc2ncnn2C)CN1CC#N 1132392816 QQHFXZMQZNLLDT-NEPJUHHUSA-N 306.370 -0.176 30 20 DBED C=CCN[C@@H](C)C[C@@H](C)NC(=O)CNS(=O)(=O)N(C)C 1135568371 MQJZAFXCJBNRGL-WDEREUQCSA-N 306.432 -0.559 30 20 DBED CC(C)C#CC(=O)N1CC2(CCN(CC(=O)NC(N)=O)C2)C1 1147499481 TWXBMMSJALTKEK-UHFFFAOYSA-N 306.366 -0.625 30 20 DBED CCN(CC)CC(=O)N1CC2(CCN(CC(=O)NCC#N)C2)C1 1148462474 ARJPKIGKUAMFKU-UHFFFAOYSA-N 321.425 -0.498 30 20 DBED Cc1c(C(=O)NCCNCC(=O)NCC#N)cnn1CC(C)C 1149338791 KZCWCMOQQASXCD-UHFFFAOYSA-N 320.397 -0.193 30 20 DBED CC(C)C#CC(=O)NCCCNCCN(C)S(C)(=O)=O 1157638781 NVUIEFRVFVOLNJ-UHFFFAOYSA-N 303.428 -0.367 30 20 DBED C#CCO[C@@H](C)C(=O)NCCCNCCNS(=O)(=O)CC 1157880363 OOOISMXKGHVSRN-LBPRGKRZSA-N 319.427 -0.940 30 20 DBED C#CCNC(=O)CNCCCNC(=O)C[C@H](C)c1cnn(C)c1 1163164955 UVPFUSRPYGXBGS-ZDUSSCGKSA-N 319.409 -0.241 30 20 DBED C#CCNC(=O)CNCC1(CCNC(=O)CC2(O)CCC2)CC1 1164468373 KVRAJDIKXFCFQF-UHFFFAOYSA-N 321.421 -0.083 30 20 DBED CN(CC(=O)NCCCNCC(=O)NCC#N)CC(C)(C)C 1166744190 LKZZTZGLOZMEBI-UHFFFAOYSA-N 311.430 -0.300 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1cccn2ccnc12 1168261261 DMLWHIMFHBIYBL-UHFFFAOYSA-N 313.361 -0.207 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)C(=O)C(C)(C)C)[C@H]1C 1178359415 HDWOHIAJHRQDQP-RYUDHWBXSA-N 307.394 -0.070 30 20 DBED C#CCCCC(=O)N1CC[C@H](N[C@@H](C)C(=O)NC(N)=O)[C@@H]1C 1178587215 CZVFHKQKEFDDGD-SRVKXCTJSA-N 308.382 -0.048 30 20 DBED C[C@@H]1CN(C(=O)C(F)F)C[C@@]1(C)CNCC(=O)NCC#N 1180355984 IKPLTSDFVRPHHE-NOZJJQNGSA-N 302.325 -0.035 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H](C)n2cccn2)C1 1181097119 HSHSUEZLHUBYSZ-CHWSQXEVSA-N 305.382 -0.063 30 20 DBED C=CCOCCNC[C@@H]1CCN(C(=O)Cn2ncnn2)C[C@H]1C 1184399891 PGZRHMMDJOYBAQ-KGLIPLIRSA-N 322.413 -0.050 30 20 DBED Cn1cnc(C(=O)N2C[C@H](CNCC#N)C3(CCOCC3)C2)n1 1186368876 XHEKSVUKXBSSRL-LBPRGKRZSA-N 318.381 -0.203 30 20 DBED N#CCNC(=O)CN1C[C@@H]2CCN(C(=O)[C@H]3CCCO3)[C@@H]2C1 1186741093 NQLLSAAGDLPEKB-YNEHKIRRSA-N 306.366 -0.662 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2ccoc2C)C1 1190881645 UAPPWGSEIGZART-CHWSQXEVSA-N 305.334 -0.888 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@@H]1CCN(C(=O)c2n[nH]cc2F)C1 1192218904 YDAZRKDJRNKXNY-WDEREUQCSA-N 321.356 -0.167 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)c2cc(OC)ncn2)C1 1193004844 BIQWSYYKUUYQBU-CHWSQXEVSA-N 322.365 -0.537 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)C[C@@H]2CCN(C)C2)C1 1193461595 HCZWLZMVOXPJNK-LSDHHAIUSA-N 320.437 -0.390 30 20 DBED N#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CCCCO2)CC1 1195487502 GMCQRTOLTKYZRL-ZDUSSCGKSA-N 308.382 -0.270 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)CCn2cnccc2=O)C1 1197334676 ZGBUMGZCDLXGDK-CHWSQXEVSA-N 306.366 -0.629 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)CO[C@H](C)c2nccn2C)C1 1198233600 KXVLMFGZTCWLCJ-MGPQQGTHSA-N 320.393 -0.318 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)[C@H]2CCNC(=O)C2)CC1 1200057733 VAYKDZDMIFKNMY-LBPRGKRZSA-N 322.409 -0.605 30 20 DBED N#CCNC[C@@H]1CN(C(=O)c2cccn3nnnc23)CCCO1 1200591506 ZOBVELKBTBCGTQ-LLVKDONJSA-N 315.337 -0.531 30 20 DBED N#CCNC[C@H]1CN(C(=O)c2ccnc3[nH]nnc23)CCCO1 1200937169 DTMWLQUPUQLSCP-JTQLQIEISA-N 315.337 -0.303 30 20 DBED C#CCNC[C@H]1CN(C(=O)[C@H]2CN(C(C)=O)CCO2)CCCO1 1201974571 FCRJHOZFONSMKF-LSDHHAIUSA-N 323.393 -0.926 30 20 DBED C=CCOCCN[C@H]1C[C@@H](NC(=O)CNC(N)=O)C12CCC2 1202431127 ZLSXSECQVJPHPR-NWDGAFQWSA-N 310.398 -0.126 30 20 DBED COCC#CCN1C[C@@H](NC(=O)C[C@H](C)NC(N)=O)[C@H](C)C1 1206966558 PUDOOUPGOSFZOM-FRRDWIJNSA-N 310.398 -0.480 30 20 DBED Cc1nonc1C(=O)N1CCC(CNCC(=O)NCC#N)CC1 1206972127 TXEHTHGBUNRHPQ-UHFFFAOYSA-N 320.353 -0.540 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)[C@H]2CN(C)CCO2)C1 1207737634 ISYHCEDFNISDJS-UONOGXRCSA-N 324.425 -0.800 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)C[C@](C)(O)C2CC2)C1 1207820036 OJNZGNVOGAYBJS-PBHICJAKSA-N 321.421 -0.133 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@H]1CCCN(C(=O)c2cnon2)C1 1210234982 DMVNFEPKQXRNLW-MNOVXSKESA-N 307.354 -0.046 30 20 DBED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)c1conc1C 1213369058 LCQJDZNQXOOJNH-VXGBXAGGSA-N 321.337 -0.948 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@@H](C)NC(=O)C2CCC2)[C@H](OC)C1 1213993224 QGAWFOHPAGSGPX-MRVWCRGKSA-N 307.394 -0.260 30 20 DBED C=CCCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)Cn1ncnn1 1217915073 IZGIPWKNNUNUHF-QWHCGFSZSA-N 306.370 -0.449 30 20 DBED C#CCCCCC(=O)N[C@@H]1CN(Cc2cn(C)nn2)C[C@@H]1O 1219482372 YENVVFOOLQUCFG-KGLIPLIRSA-N 305.382 -0.330 30 20 DBED CCn1nncc1CN1C[C@H](O)[C@H](NC(=O)C#CC2CC2)C1 1219591399 BRHZWCGWFLJGSY-KGLIPLIRSA-N 303.366 -0.627 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)[C@H]2C[C@H]3CC[C@H]2O3)CC1 1226617578 JYULCVKRKFVTJQ-QLFBSQMISA-N 319.405 -0.116 30 20 DBED COCC#CCN1CC[C@@H]1CN(C)C(=O)CCn1cncn1 1230782377 VWLMWMJAUUOFOC-CQSZACIVSA-N 305.382 -0.149 30 20 DBED C#CCNC(=O)CC(=O)N(C)C[C@@H]1CCN1Cc1ncccn1 1233810308 PABYLUBWOSXAKC-ZDUSSCGKSA-N 315.377 -0.351 30 20 DBED C#CCOCCC(=O)N(C)C[C@@H]1CCN1[C@H]1CCC(=O)NC1=O 1234246856 UAVPPIUNULAIOF-STQMWFEESA-N 321.377 -0.636 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)C1CCS(=O)(=O)CC1 1251808092 VNMKYEYIUIIKOC-UHFFFAOYSA-N 318.351 -0.634 30 20 DBED C[C@@H](CN1CCCC1=O)NC(=O)C(=O)N1CCC(C#N)CC1 1257460207 SLUXTMPRYFGPEB-NSHDSACASA-N 306.366 -0.124 30 20 DBED Cc1cnc(NC(=O)C(=O)NCCn2cnc(C#N)n2)s1 1261092288 XGOIHEIFLVTYOM-UHFFFAOYSA-N 305.323 -0.330 30 20 DBED C#CCNC(=O)CN1CCC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 1267919736 RRIPUHHJPCVBQQ-CYBMUJFWSA-N 313.361 -0.170 30 20 DBED C=C(C)CN1CCC(NC(=O)C(=O)N[C@H]2CCN(C)C2=O)CC1 1322608238 SJSDTTPPJHUGPJ-ZDUSSCGKSA-N 322.409 -0.510 30 20 DBED C#C[C@H](NC(=O)C(=O)NCc1nnc2n1CCC2)[C@@H]1CCCO1 1322971272 PZOZVFGETBHPIH-QWRGUYRKSA-N 317.349 -0.863 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 1325104483 QBCLJHZUDSPPMU-ZWNOBZJWSA-N 318.395 -0.877 30 20 DBED C=CCCCCCN(C)C(=O)C(=O)NCCN1C(=O)CNC1=O 1328866761 TUJPPVRVRZMRCF-UHFFFAOYSA-N 324.381 -0.141 30 20 DBED C=CCn1c(C(N)=O)nnc1N1CCN(C[C@H]2CCOC2)CC1 1338896849 YCKJKEFHBSMIAJ-GFCCVEGCSA-N 320.397 -0.279 30 20 DBED C=CCn1c([C@@H](C)O)nnc1N1CCN(C(=O)COC)CC1 1339582697 DRDFKDIBMVPFKJ-LLVKDONJSA-N 309.370 -0.188 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CCN(c2cnn(C)c2)CC1 1343071083 TXRNJSVQLKDOCB-GFCCVEGCSA-N 321.381 -0.614 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N[C@@H](C)[C@H]1CN(C)CCO1 1343129813 CPUJXJWFERWBMU-UONOGXRCSA-N 305.378 -0.693 30 20 DBED C=C(C)COCCNC(=O)C(=O)N1CC[C@H](OCCOC)C1 1343167828 CJKXXPZGYMLUIA-ZDUSSCGKSA-N 314.382 -0.041 30 20 DBED C#CC1(O)CCN(C(=O)NC[C@H]2CC[C@H](C(=O)N(C)C)O2)CC1 1346391485 XWXGFLSLRQIRCX-CHWSQXEVSA-N 323.393 -0.208 30 20 DBED N#C[C@H]1CC[C@@H](NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1 1352348742 SNCGZTYTFGBDDZ-SCRDCRAPSA-N 315.377 -0.006 30 20 DBED CC(=O)NCC[C@@H]1CCCN(c2[nH]c(=O)n(C)c(=O)c2C#N)C1 1363736746 UPZCWXZMAJOHDV-NSHDSACASA-N 319.365 -0.312 30 20 DBED CCN(CCC#N)C(=O)CNC[C@@H](C)NC(=O)c1cnnn1C 1367667694 FMMPEQBLGXKYIG-LLVKDONJSA-N 321.385 -0.715 30 20 DBED CC(=O)N[C@@H](C)C(=O)N1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 1385622190 PKBDRYAHXCVXSU-JOYOIKCWSA-N 317.349 -0.258 30 20 DBED C[C@H](C#N)C(=O)NCCN1CCN(Cc2cncn2C)CC1 1389412542 UBTZCPBECYRCKH-CYBMUJFWSA-N 304.398 -0.186 30 20 DBED CCN(CCC#N)C(=O)CN1CC[C@@H](NC(=O)CCOC)C1 1391572722 DVQIXKIXCNWYHJ-CYBMUJFWSA-N 310.398 -0.024 30 20 DBED C=C(Cl)CN1CC(O)(CNC(=O)c2cn(C)nc2OC)C1 1393324514 BKGCAYCJRDRJRO-UHFFFAOYSA-N 314.773 -0.042 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCNC(=O)c1ccc2nnnn2c1 1408625175 XPDRTTWKJVTLTJ-VIFPVBQESA-N 301.310 -0.528 30 20 DBED CC(=O)N(C)CC(=O)NC1CN(C(=O)c2cc(C#N)c[nH]2)C1 1409029862 PHRNZHLTAFKTFY-UHFFFAOYSA-N 303.322 -0.695 30 20 DBED CC(=O)NC1CCC(C(=O)NCCn2cnc(C#N)n2)CC1 1411381264 WVRMCXKPCJDWCS-UHFFFAOYSA-N 304.354 -0.039 30 20 DBED COCC(=O)N[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1OC 1414021159 QIPAGIMJIUJOAF-VXGBXAGGSA-N 306.322 -0.512 30 20 DBED CC(=O)NCC(=O)N[C@H]1CC12CCN(C(=O)[C@@H](C)C#N)CC2 1414810124 ROMNSOFGVJVPQZ-JQWIXIFHSA-N 306.366 -0.221 30 20 DBED COC(=O)NCC(=O)NC[C@H](O)CNCc1ccccc1C#N 1420121368 YWNYVAQYOLEBPQ-CYBMUJFWSA-N 320.349 -0.519 30 20 DBED CN(C)C(=O)CN1CC[C@](O)(CNC(=O)c2cc(C#N)c[nH]2)C1 1421359915 RGMJSXJVOUJCHZ-HNNXBMFYSA-N 319.365 -0.859 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CCC(=O)N2C)C1 1426881987 UGVCTHSCNHHKDC-YFKTTZPYSA-N 306.366 -0.222 30 20 DBED CCN1CCO[C@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@@H](C)C#N)C2)C1 1430148141 BGNRXHPRSADZOQ-CYDGBPFRSA-N 308.382 -0.370 30 20 DBED CN(CCNC(=O)CCn1ccnn1)C(=O)c1ccc(C#N)[nH]1 1431220914 IYGUDRPHQGLGMO-UHFFFAOYSA-N 315.337 -0.244 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1cnc2n1CCC2 1433312413 GXMJDXPLQKYMKQ-VHSXEESVSA-N 305.338 -0.804 30 20 DBED COCCS(=O)(=O)CCCN1CC(NC(=O)[C@H](C)C#N)C1 1443468511 ZDFJIEXFBFJZDY-LLVKDONJSA-N 317.411 -0.602 30 20 DBED COC(=O)CCCC(=O)NCCn1cc(C#N)c(O)nc1=O 1453843297 NZERVQJGJLPFGG-UHFFFAOYSA-N 308.294 -0.720 30 20 DBED CCN(CCNC(=O)c1cc(C#N)c[nH]1)C(=O)Cc1nc[nH]n1 1455547780 OEUYVKYJNBEAEW-UHFFFAOYSA-N 315.337 -0.175 30 20 DBED C[C@H]1COC[C@H]1NC(=O)CNS(=O)(=O)c1cccc(C#N)c1 1458021954 CFYJLOVKJSFWNC-GXFFZTMASA-N 323.374 -0.012 30 20 DBED CN(CCC#N)S(=O)(=O)N[C@H]1C[C@@H]2CCCCN2C1=O 1463829992 IGDHIHANSQZYRQ-QWRGUYRKSA-N 300.384 -0.180 30 20 DBED C[C@H](CN(C)C(=O)CCNS(C)(=O)=O)NC(=O)[C@H](C)C#N 1487801166 DHMPVYVKPYEACA-NXEZZACHSA-N 318.399 -0.952 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](C)CNC(=O)CCn1cnccc1=O 1500332399 AGELTBHXFSGCRC-NEPJUHHUSA-N 319.365 -0.338 30 20 DBED C#C[C@H](NS(=O)(=O)c1n[nH]c(C)c1C(=O)O)[C@@H]1CCCO1 1588377148 JAXJPUNDADQVLB-IUCAKERBSA-N 313.335 -0.125 30 20 DBED C#CCN(CC(=O)O)C(=O)Nc1[nH]nnc1C(=O)N1CCCC1 1588411147 NKJRUOMYZLUGIU-UHFFFAOYSA-N 320.309 -0.408 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC(N2C[C@@H](C(=O)O)CC2=O)CC1 1588430474 MDBQHDSCOYMEPV-RYUDHWBXSA-N 321.377 -0.478 30 20 DBED C#CCN1CCN(CN2C(=O)N[C@@](C)(CCC(=O)O)C2=O)CC1 1588479195 BQAOIECLPCHPLJ-HNNXBMFYSA-N 322.365 -0.630 30 20 DBED C=CCn1cc(CNC(=O)c2cc(-c3nn[nH]n3)ccn2)nn1 1588716796 MOKOOPULQHJNMK-UHFFFAOYSA-N 311.309 -0.031 30 20 DBED CN(CC(=O)N1CCCC1)c1cnc(C#N)c(-c2nn[nH]n2)n1 1591038344 OLFFGJYIPHIBDJ-UHFFFAOYSA-N 313.325 -0.413 30 20 DBED N#CC1(C[C@@H](O)CN2CCS(=O)(=O)C[C@@H]2C(=O)O)CCC1 1594603878 KBIOINSAYKTMNP-GHMZBOCLSA-N 316.379 -0.385 30 20 DBED CN1CCN(S(=O)(=O)c2ccc(C#N)cn2)C[C@@H](C(=O)O)C1 1598621052 IVWLOIUBPNMAEU-NSHDSACASA-N 324.362 -0.410 30 20 DBED C[C@@H]1CN(C(=O)C(=O)N2CCC(C)(C#N)CC2)C[C@@H](C(=O)O)O1 1599850060 WORDQYFKFZBJBK-MNOVXSKESA-N 323.349 -0.161 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC(CNC(=O)[C@@H]3C[C@H]3C(=O)O)C2)c1 1601084074 GTQSJXQRPUKDHV-GHMZBOCLSA-N 316.317 -0.205 30 20 DBED C#CCN(CC(=O)O)C(=O)C(=O)Nc1cccc2nonc12 1602678680 DKDFOSPXNLMIFH-UHFFFAOYSA-N 302.246 -0.292 30 20 DBED C#CC[C@H](CO)Nc1ccc(C(=O)OC)nc1-c1nn[nH]n1 1602696982 IAENMAXBAPCWOQ-MRVPVSSYSA-N 302.294 -0.156 30 20 DBED C=CCOCC(=O)N1C[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(=O)O)C[C@@H]2C1 1602906738 MERMAQUGRHVSOJ-QNWHQSFQSA-N 322.361 -0.174 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@H](Nc2cnc(-c3nn[nH]n3)cn2)C1 1602983724 NCWZKELGGZSXDT-CIUDSAMLSA-N 313.325 -0.125 30 20 DBED C#CCN(C(=O)c1ccc(C(=O)O)[nH]1)[C@@H]1CCS(=O)(=O)C1 1609137332 MYCYAMNJTJGDBW-SECBINFHSA-N 310.331 -0.025 30 20 DBED Cc1c(NC(=O)[C@@H](C)n2cnc(C#N)n2)cnn1CC(=O)O 1610421930 KPOOSOSIIILUFN-MRVPVSSYSA-N 303.282 -0.061 30 20 DBED C#CCOCCC(=O)N[C@H]1CCN([C@@H]2CCN(CC)C2=O)C1 1713822222 HCAQASNNEPDPDW-UONOGXRCSA-N 307.394 -0.162 30 20 DBED C#CCNC(=O)CN1CCC(N(C)C(=O)[C@H]2CCCO2)CC1 1752291218 DLKRRVDTOSITDM-CQSZACIVSA-N 307.394 -0.162 30 20 DBED C#CCNC(=O)CN1CCCC[C@H]1CNC(=O)COCC=C 1752817796 PHYCUNTVBXMKTD-AWEZNQCLSA-N 307.394 -0.091 30 20 DBED C=CCNC(=O)CNCCN(C)C(=O)C12CCCN1CCC2 1753207435 GBCSFWAVJZCJFW-UHFFFAOYSA-N 308.426 -0.035 30 20 DBED C=CCn1cc(C(=O)N(C)CCNCCN2CCNC2=O)nn1 1753239229 MLKCMTLYUNVSQZ-UHFFFAOYSA-N 321.385 -0.849 30 20 DBED C#CCNC(=O)CN[C@H](CC)CNC(=O)c1cn(CC)cn1 1753495254 FWZNCRAEBUKFMR-GFCCVEGCSA-N 305.382 -0.250 30 20 DBED Cc1cn(C)nc1C(=O)NC[C@H](NCC(=O)NCC#N)C(C)C 1753828752 FUXRXKNQXVETEC-LBPRGKRZSA-N 320.397 -0.288 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC(N(C)C(=O)c2n[nH]cc2C)C1 1754574752 CUXQINCTCUUWHI-LLVKDONJSA-N 303.366 -0.388 30 20 DBED C#CCNC(=O)CNC[C@@H]1CCCN1C(=O)Cc1cccnc1 1754607771 IISYDWYKAYWHEU-HNNXBMFYSA-N 314.389 -0.046 30 20 DBED C=C(C)CN1CC[C@](O)(CNC(=O)CCCS(C)(=O)=O)C1 1754760365 OOCNLLDUHNJUJJ-AWEZNQCLSA-N 318.439 -0.060 30 20 DBED C=CCNC(=O)CN(C)CCCN(C)C(=O)[C@@H]1COC(=O)N1 1755035853 GJSJXEMZWKODOT-NSHDSACASA-N 312.370 -0.823 30 20 DBED CC#CCN(C)[C@@H](C)CNC(=O)CCCN1C(=O)CNC1=O 1755325936 FVPLVSOXSRIUNJ-LBPRGKRZSA-N 308.382 -0.222 30 20 DBED C#CCN(C)CCOCCNC(=O)c1cccn2c(O)nnc12 1755545504 WCPLPIXUMQIIOE-UHFFFAOYSA-N 317.349 -0.254 30 20 DBED Cc1ccc(C(=O)NC[C@@H](CO)NCC(=O)NCC#N)c(C)c1 1755646546 SGAKJBXCSJXXTH-ZDUSSCGKSA-N 318.377 -0.376 30 20 DBED C=CCOCCN1CC[C@]2(NC(=O)[C@H]3CNC(=O)N3)CCC[C@H]12 1755702663 XFQVSWWDEGJRQG-DVOMOZLQSA-N 322.409 -0.016 30 20 DBED C#CCNC(=O)CNC[C@@H]1CC[C@H](NC(=O)c2cc[nH]n2)C1 1755728037 CDKWMMVVPFWYQX-NEPJUHHUSA-N 303.366 -0.353 30 20 DBED C[C@@H](CNC(=O)C#CC(C)(C)C)N(C)C(=O)c1nnn(C)n1 1756025330 JTANZHKEYKSXHQ-JTQLQIEISA-N 306.370 -0.164 30 20 DBED C=CCCC(=O)NC[C@H](CO)NC(=O)c1cc(C(N)=O)ccn1 1756516824 FAHKVDLTQVDOSX-LLVKDONJSA-N 320.349 -0.646 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(C(=O)c2cn[nH]c2)C[C@H]1OC 1757128938 OLLXIQQFPJGTGY-RAIGVLPGSA-N 320.349 -0.596 30 20 DBED C=CCC(=O)NC[C@H]1CCN(C(=O)C(O)O)[C@@H]1c1cccnc1 1813052115 DYIUZCUXYADHCT-TZMCWYRMSA-N 319.361 -0.026 30 20 DBED CC[C@H](NC(N)=O)C(=O)N1CC2(CCCN2C(=O)CCC#N)C1 1842812916 OHDZSWRWCHXKFM-NSHDSACASA-N 321.381 -0.060 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)[C@H]1CCCN(C(C)=O)C1 10748341 FQJJCBLZHCHENH-NSHDSACASA-N 311.338 -0.200 30 20 DBED C[C@@H](CO[C@H]1CCOC1)Nc1c(C#N)c(=O)n(C)c(=O)n1C 133844170 QWSARUSUUCJDNS-UWVGGRQHSA-N 308.338 -0.438 30 20 DBED COCCN(CCC#N)S(=O)(=O)N(C)C[C@@H](C)C(=O)O 263493497 PSUVZEZIZRVZRJ-SNVBAGLBSA-N 307.372 -0.254 30 20 DBED CN(CC(=O)N1CCN(CC#N)CC1)c1ncnc2nc[nH]c12 266641712 CGXFLWLVGRYUTJ-UHFFFAOYSA-N 314.353 -0.543 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H](CO)C2)C1=O 269070431 FLICMVRAKNXBJP-JTQLQIEISA-N 309.322 -0.806 30 20 DBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCCOCCOC 284339987 VEVWYBJFOWVJFC-STQMWFEESA-N 314.382 -0.137 30 20 DBED O=C(NCC#CCO)[C@@H]1COCC(=O)N1Cc1ccccc1 298983284 PIFXHHUDLMCSAQ-AWEZNQCLSA-N 302.330 -0.474 30 20 DBED C[C@@H]1C(O)=NCCN1/C(O)=N/C[C@H]1CCCN1S(C)(=O)=O 328731058 IGSQECGPMGXGMM-NXEZZACHSA-N 318.399 -0.015 30 20 DBED N#C[C@@H]1CC[C@H](N[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)C1 328825351 IYVZXHBCMGZQDA-RFGFWPKPSA-N 313.423 -0.234 30 20 DBED CNC(=O)[C@@H]1CN(C(=O)CNc2ccc(C#N)cc2)CCO1 330803309 IHGSLLNFOQFHAJ-ZDUSSCGKSA-N 302.334 -0.056 30 20 DBED Cc1nc(C(C)(C)NS(=O)(=O)N2CCO[C@H](C#N)C2)no1 337071032 NDSBGBCSVOHYAQ-SECBINFHSA-N 315.355 -0.328 30 20 DBED COCCN(CCC#N)S(=O)(=O)NC[C@@H](O)C(F)(F)F 337094602 PCDAFJXUSNIJIC-MRVPVSSYSA-N 319.305 -0.394 30 20 DBED CC[C@H]1CN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CCCO1 337201439 FXXQVFDELOSRTQ-RYUDHWBXSA-N 303.384 -0.044 30 20 DBED CCS(=O)(=O)C[C@H](C)NC(=O)CNc1ccc(C#N)cn1 345457689 XQVJZODEDLCDMK-JTQLQIEISA-N 310.379 0.305 30 20 DBED O=C(CNS(=O)(=O)c1ccc(Cl)s1)NCC#CCO 347953226 FQRZKFWUJCZCEZ-UHFFFAOYSA-N 322.795 -0.208 30 20 DBED CCN(CC(=O)N1CCN(CC(=O)N(C)C)CC1)C[C@H](C)C#N 353268038 PQYUVZBUFGQKRR-CQSZACIVSA-N 323.441 -0.300 30 20 DBED C=CCNC(=O)NC(=O)CN(C1CC1)[C@H](C)CS(C)(=O)=O 354586803 TYYXBWQHJCNDPT-SNVBAGLBSA-N 317.411 -0.104 30 20 DBED COC(=O)c1cn(C2CN(S(=O)(=O)CCCC#N)C2)nn1 355114892 VQCXXLUCJFCLBU-UHFFFAOYSA-N 313.339 -0.445 30 20 DBED CC(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)c1ccc(C#N)cc1 356167570 RVSZHSNXZMZVBV-KGLIPLIRSA-N 315.329 -0.161 30 20 DBED C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)NCC(=O)NCC#N 359570261 KEUUFPMXYZUSQU-VXGBXAGGSA-N 309.370 -0.869 30 20 DBED CC1(C#N)CN(C(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C1 361209657 UCIZALGNIALLMH-UHFFFAOYSA-N 322.346 -0.355 30 20 DBED CN(CCC#N)S(=O)(=O)N1CC[C@@H](CN2CCOCC2)C1 408239262 XXJQBHHYCFKAKN-ZDUSSCGKSA-N 316.427 -0.269 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2snnc2C)CC1 491126295 MPWDJZHFRKSXPS-UHFFFAOYSA-N 307.379 -0.646 30 20 DBED C#CC(C)(C)N(C)S(=O)(=O)N1CCN(S(C)(=O)=O)CC1 491567760 NAQSQBPASSRQBF-UHFFFAOYSA-N 323.440 -0.848 30 20 DBED C#CCN1CCN(C(=O)CN2CC[C@H](C(=O)N(C)C)C2)CC1 491788142 SBHKHSXNVRTSRE-AWEZNQCLSA-N 306.410 -0.826 30 20 DBED N#Cc1ncn(CCNC(=O)NCCOC[C@@H]2CCCO2)n1 553585387 MBNAPGYFUVXCOL-NSHDSACASA-N 308.342 -0.355 30 20 DBED CN(CCCN)C(=O)C(=O)NCCOc1ccc(C#N)cc1 566510937 DZELREUEVJWRHX-UHFFFAOYSA-N 304.350 -0.140 30 20 DBED C=CCOC[C@@H](NC(=O)c1nc2ncc(C)cn2n1)C(=O)O 575073669 PSUWDRBPXPZRPE-SECBINFHSA-N 305.294 -0.182 30 20 DBED CN(C)S(=O)(=O)N(C)CC(=O)N1CCC[C@](C)(C#N)C1 593598292 NBVOHEIWLNGBDJ-GFCCVEGCSA-N 302.400 -0.123 30 20 DBED Cn1nnc2c1CC[C@H](Nc1c(C#N)c(=O)n(C)c(=O)n1C)C2 594598308 HUBJOOSUTJRLGD-QMMMGPOBSA-N 315.337 -0.946 30 20 DBED CNS(=O)(=O)CCNC(=O)NCCc1ccc(C#N)cc1 595590028 QEVJWELSCYBQSA-UHFFFAOYSA-N 310.379 -0.051 30 20 DBED N#CCCN1CCN(C(=O)C(=O)N2CC[C@@H]3NCC[C@H]3C2)CC1 601594933 PLZCFRQLTVDZLV-KBPBESRZSA-N 319.409 -0.745 30 20 DBED CN(C)C(=O)CN1CCN(C(=O)c2ccc(C#N)cn2)CC1 609344126 XDUJQHWOFHHIEG-UHFFFAOYSA-N 301.350 -0.201 30 20 DBED CN1CCN(C(=O)CN(C)CC(=O)N[C@@](C)(C#N)C2CC2)CC1 611522606 KXKKCUSPSUBZQO-INIZCTEOSA-N 321.425 -0.499 30 20 DBED C=CCNS(=O)(=O)c1ccccc1N1C[C@H](O)[C@@H](CO)C1 641629178 WYRYWCHJQGNXIU-YPMHNXCESA-N 312.391 -0.060 30 20 DBED C=CCC[C@H](CO)NC(=O)N[C@H]1CS(=O)(=O)C[C@@H]1OC 666097795 IRHNLGWPVOQJOM-VWYCJHECSA-N 306.384 -0.575 30 20 DBED CN(CCS(N)(=O)=O)S(=O)(=O)c1ccc(C#N)s1 719714869 RZKATIZZXXEGIO-UHFFFAOYSA-N 309.394 -0.471 30 20 DBED C#CCN(CC#CC)C(=O)NCCOCCS(C)(=O)=O 745855633 WTJGKGZJGCLOIM-UHFFFAOYSA-N 300.380 -0.284 30 20 DBED C#CCNS(=O)(=O)N1CCN(Cc2cnn(C)c2C)CC1 761030264 FQZGJEHIVDWKEW-UHFFFAOYSA-N 311.411 -0.686 30 20 DBED C#C[C@H](NC(=O)N1CCN(CC(=O)N(C)C)CC1)[C@@H]1CCCO1 776228035 NWPQGGASZCUDKG-KBPBESRZSA-N 322.409 -0.417 30 20 DBED C#CCOCCNC(=O)N[C@@H]1CCN(c2cc(C)nn2C)C1=O 784544811 JVAQNSZVLBWWQY-GFCCVEGCSA-N 319.365 -0.217 30 20 DBED C#CCC[C@H](O)CNC(=O)[C@H](O)[C@@H](O)c1nc2ccccc2[nH]1 799077895 SYPZNOCLYJYHFW-ZLKJLUDKSA-N 317.345 -0.152 30 20 DBED C=CCN1CC[C@@H](N2CCCC[C@H]2CS(N)(=O)=O)C1=O 820478021 DJEZWUMRDVFSBP-NWDGAFQWSA-N 301.412 -0.084 30 20 DBED C=CCCn1cc(C(=O)O[C@H](C)C(=O)NCC(=O)OC)nn1 820982705 OLSFQNNIEMFPFT-SECBINFHSA-N 310.310 -0.311 30 20 DBED COC(=O)CN(CC#N)C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 821662902 YOLPZWFMGGQQSL-LBPRGKRZSA-N 316.321 -0.101 30 20 DBED CN(C)S(=O)(=O)c1cccc(C(=O)N[C@H]2CNC[C@@H]2C#N)c1 834504640 DKLGCIFSEIITHO-AAEUAGOBSA-N 322.390 -0.222 30 20 DBED Cc1cc(S(N)(=O)=O)oc1C(=O)OCC(=O)NCCC#N 850252750 GNUKOFZQODYCCO-UHFFFAOYSA-N 315.307 -0.578 30 20 DBED C#C[C@H](NC(=O)NCc1nc(O)cc(CN)n1)[C@@H]1CCCO1 851658516 CTEBCHOZMRHYBA-QWRGUYRKSA-N 305.338 -0.379 30 20 DBED COC(=O)c1cnn(CC(=O)[C@H](C#N)C(=O)c2nccn2C)c1 860613107 SYZIPULWJODEFR-JTQLQIEISA-N 315.289 -0.005 30 20 DBED C#CCN1CCC[C@H](NC(=O)NCCCS(C)(=O)=O)C1 884106340 NKGYXSKZMCRWTO-LBPRGKRZSA-N 301.412 -0.182 30 20 DBED C#CC1(O)CN(C(=O)CNC(=O)NCc2ccc(F)cc2)C1 890521039 UUADYYTZJKJZQL-UHFFFAOYSA-N 305.309 -0.169 30 20 DBED C[C@H]1C[C@H](NC(=O)NCC#CCO)C(=O)N1c1cnn(C)c1 923777357 IPUBWZDLCBGSDW-JQWIXIFHSA-N 305.338 -0.791 30 20 DBED C#CC1(O)CN(CC(=O)NCCOc2ccc3c(c2)OCO3)C1 934444511 CMIYNCPFXRZMAB-UHFFFAOYSA-N 318.329 -0.410 30 20 DBED CCn1nncc1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)C#N 937100569 UEBGSKXSXTZNSH-VWYCJHECSA-N 302.338 -0.117 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)Cn1ccccc1=O 937151329 OWMDWRVSWYZRCS-AGIUHOORSA-N 314.345 -0.180 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)[C@@H]3COC(=O)N3)C2)[nH]1 940061224 XZIUJGGPPKOHPE-KOLCDFICSA-N 317.305 -0.675 30 20 DBED CC(C)(C(N)=O)C(=O)N1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 940101181 ZWKCWPUVRUBPJA-SNVBAGLBSA-N 317.349 -0.271 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)c2cncnc2)C1 944558806 JTZAYDHRJFFAJE-JQWIXIFHSA-N 303.322 -0.407 30 20 DBED COc1nccc(C(=O)NC[C@@H]2CCN2C(=O)[C@H](C)C#N)n1 951330973 KKNZIUQIOSKOOP-ZJUUUORDSA-N 303.322 -0.024 30 20 DBED C=CCCn1cc(C(=O)N(C)C2CN(C(=O)COC)C2)nn1 954382696 IITCUDMSIDTJRK-UHFFFAOYSA-N 307.354 -0.217 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2nnn(C)n2)C1 958925620 AUZXRFPORFOWJU-UWVGGRQHSA-N 322.369 -0.934 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H]2CN(C(=O)c3cn[nH]c3)C[C@@H]21 960885319 YGGPYOOZTJQEEB-ADEWGFFLSA-N 303.322 -0.379 30 20 DBED Cc1nc(C)c(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)o1 962054530 LTTDRWYVYDQXTM-XROYCOCOSA-N 306.322 -0.247 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CN(C(=O)c3cc[nH]n3)C[C@@H]2O)c1 962140358 WUEYPHQRPHQWEI-NEPJUHHUSA-N 314.305 -0.775 30 20 DBED C=CCCn1cc(C(=O)N[C@@H]2CN(C(=O)CC)C[C@@H]2O)nn1 964300133 UQHTUANDNLIMFI-PWSUYJOCSA-N 307.354 -0.434 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1NC(=O)c1c[nH]c(=O)cn1 966415359 VMRPXVWJVIAGOU-MFKMUULPSA-N 314.345 -0.240 30 20 DBED C#CCN1CC[C@H](C)[C@@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)C1 968614811 NTOFPWXZOJWCIK-RYUDHWBXSA-N 320.393 -0.223 30 20 DBED C[C@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)[C@@H]1COCCN1C)C2 969804709 GFJUIDPESDUEHA-RFGFWPKPSA-N 320.393 -0.322 30 20 DBED Cc1ncc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)n1C 969958391 UCWCUADDAIMALU-UISBYWKRSA-N 305.338 -0.810 30 20 DBED O=C(C#CC1CC1)N1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1nc[nH]n1 970067490 MPBMWEJZIAFWHH-BETUJISGSA-N 313.361 -0.038 30 20 DBED C[C@H](NC(=O)c1cn([C@H]2CCOC2)nn1)C1CN(CC#N)C1 970710199 HOMYNPDIQJIQKB-JQWIXIFHSA-N 304.354 -0.187 30 20 DBED CC#CCN1CC([C@@H](C)NC(=O)[C@H]2CN(C(C)=O)CCO2)C1 970826249 QCHLBQQXOZTCBP-IUODEOHRSA-N 307.394 -0.307 30 20 DBED Cc1nc(CC(=O)N2C[C@H]3CCN(C(=O)[C@@H](C)C#N)C[C@H]32)n[nH]1 972081906 OBUXOHCAKFXHJM-MVWJERBFSA-N 316.365 -0.125 30 20 DBED CC(=O)N1CCOC[C@H]1C(=O)N1C[C@H]2CC[C@H]1CN2CC#N 972131631 PVGQMCGAWQAZCI-RDBSUJKOSA-N 306.366 -0.568 30 20 DBED CC(=O)N1CCC[C@H]1C(=O)N[C@H]1[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]21 976921348 KBSGHMVYOGVJAN-FRVYIDGWSA-N 318.377 -0.270 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)[C@]3(C)CCC(=O)NC3)[C@H]2C1 977018487 VBPMTAMEUFJVAY-XYOMKSJCSA-N 318.377 -0.365 30 20 DBED C#CCN1CCC(C(=O)N[C@H]2CCC[C@@H](NCC(N)=O)C2)CC1 981542638 VJNAZOZIGPYIKW-CABCVRRESA-N 320.437 -0.166 30 20 DBED C=CCN[C@@H]1C[C@H](C)N(C(=O)CN2CCCS2(=O)=O)C1 988928299 NMBHKISQPSIKBX-NWDGAFQWSA-N 301.412 -0.213 30 20 DBED COC(=O)[C@@H]1C[C@H]1C(=O)NC1CN(C(=O)c2c[nH]c(C#N)c2)C1 990466876 FSTKKPHNRQOMJM-VXGBXAGGSA-N 316.317 -0.364 30 20 DBED C[C@H](C(=O)N1CC(NC(=O)c2ccc(C#N)[nH]2)C1)n1cncn1 990887543 DTSFDIHLDUXVTE-SECBINFHSA-N 313.321 -0.320 30 20 DBED N#Cc1cc(C(=O)N2CC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c[nH]1 991276264 AGQFOTZQZTVQJE-GHMZBOCLSA-N 303.278 -0.508 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN(C(=O)CN2CCCC2)C1 994756995 ZXVKRZGBTKKAJW-HNNXBMFYSA-N 318.421 -0.493 30 20 DBED C#CCN1CC[C@H](n2cc(CNC(=O)c3ncccn3)nn2)C1 1000031112 VVWUOTBXGHBTAG-ZDUSSCGKSA-N 311.349 -0.122 30 20 DBED CCN1C[C@H](C(=O)NCC2CN(C(=O)[C@H](C)C#N)C2)CC1=O 1002453329 VGCOMLMSEDUWBH-ZYHUDNBSSA-N 306.366 -0.411 30 20 DBED O=C1CC[C@@H](C(=O)N2C[C@H]3CC[C@H]2CN3C(=O)C#CC2CC2)N1 1007310474 LNRCZGMSMPTZQM-RDBSUJKOSA-N 315.373 -0.120 30 20 DBED C=C(C)CCN1CCC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 1007371242 GDCCQQIOJCMCRC-GFCCVEGCSA-N 320.397 -0.076 30 20 DBED Cc1nc(C(=O)N2CCN(C(=O)[C@H](C)C#N)CC2)c(=O)[nH]c1C 1011297837 HITGDOGECIQGKB-SECBINFHSA-N 317.349 -0.169 30 20 DBED C#Cc1ccc(C(=O)NC2[C@@H]3CN(C(=O)c4cnon4)C[C@@H]23)nc1 1013508540 NKCGVLONXJQKQB-GHMZBOCLSA-N 323.312 -0.054 30 20 DBED C=CCCN1CC[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 1015864542 BAUNKNFYJQZPED-NSHDSACASA-N 316.365 -0.162 30 20 DBED C=C(C)C(C)(C)C(=O)N1CC[C@@H]2OCCN(C(=O)C(N)=O)[C@@H]2C1 1019907693 GWOGVNPGJTYTNJ-NEPJUHHUSA-N 323.393 -0.098 30 20 DBED N#Cc1ccc(CN[C@H]2C[C@@H](NC(=O)Cn3ncnn3)C2)cc1 1022082790 GAWLBBGSOUVIIH-OKILXGFUSA-N 311.349 -0.018 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]2CN(C(=O)c3cnc(O)n3C)C[C@H]21 1022572132 BCMZHUNIXCERNQ-JBLDHEPKSA-N 317.349 -0.042 30 20 DBED C=C(C)CN[C@@H]1CC[C@H]2CN(C(=O)Cn3ncn(C)c3=O)C[C@@H]21 1026297485 DTLRSKMSPCWDTM-MELADBBJSA-N 319.409 -0.016 30 20 DBED CC#CCN1CCCC[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 1034530256 BTMRMUAPBJRAIZ-OLZOCXBDSA-N 313.423 -0.328 30 20 DBED CC(C)(C)n1nnc(C(=O)NC[C@H]2CN(CC#N)CCO2)n1 1035381817 JLZPVMAQNPZJQO-JTQLQIEISA-N 307.358 -0.618 30 20 DBED CC#CCN1CCO[C@@H](CNC(=O)[C@@H]2CCN(C(C)=O)C2)C1 1035593174 MNUQDMITDIHQIJ-CABCVRRESA-N 307.394 -0.305 30 20 DBED C#CCN1CC2(CCN(C(=O)CN3C(=O)CNC3=O)CC2)C1 1035847032 FSIOYZHAOULSHS-UHFFFAOYSA-N 304.350 -0.904 30 20 DBED C#CCN[C@@H]1CCN(C(=O)CN2CCCS2(=O)=O)C[C@@H]1C 1036058565 RUHPRDHZNADMGX-QWHCGFSZSA-N 313.423 -0.518 30 20 DBED C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CN1CCOCC1=O 1039385918 NOFKTNGHHXUQHQ-CABCVRRESA-N 319.405 -0.066 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@]1(O)CCN(C(=O)COC)C1 1039575678 DEKOGXLFGCYLSF-UONOGXRCSA-N 300.355 -0.961 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@](O)(CNC(=O)C2(C)CC2)C1 1040077267 WJVZHEXFTTXMJA-LRDDRELGSA-N 308.378 -0.096 30 20 DBED C=CCCC(=O)N1CC[C@](O)(CNC(=O)c2cncnc2O)C1 1040164460 SELOETJVEWSEQG-HNNXBMFYSA-N 320.349 -0.158 30 20 DBED COCC(C)(C)C(=O)NC[C@@]1(O)CCN(C(=O)[C@H](C)C#N)C1 1040296265 NETWADDBMUEIDI-ABAIWWIYSA-N 311.382 -0.102 30 20 DBED Cc1cc(C(=O)N2CC[C@](O)(CNC(=O)[C@H](C)C#N)C2)n(C)n1 1040763441 OSKKUUWBWKSQED-BMIGLBTASA-N 319.365 -0.419 30 20 DBED C=CCOCC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2CCOC2)C1 1040790610 LUCOJHSCSVMCIR-DOMZBBRYSA-N 312.366 -0.695 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)C23CCN(CC2)C3)C1 1042799398 LPTPTLBSYIHQNV-UHFFFAOYSA-N 319.405 -0.425 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)[C@H](OC)C2CC2)C1 1042837188 IYPHDNNEOYOENQ-CYBMUJFWSA-N 312.366 -0.697 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H](C)CO2)C1 1043033337 XHLNCVLFKOZHDR-STQMWFEESA-N 324.377 -0.859 30 20 DBED C=CCC(CC=C)C(=O)NCC1(O)CN(C(=O)CC(N)=O)C1 1043187750 RHMZLXNKWDTTFW-UHFFFAOYSA-N 309.366 -0.680 30 20 DBED C=C(C)CCC(=O)NCC1(O)CN(C(=O)c2cc[n+]([O-])cc2)C1 1043312674 WCOKZJOUGIPDQI-UHFFFAOYSA-N 319.361 -0.021 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 1044204761 LAAGXFUOGUSRJD-MROQNXINSA-N 321.377 -0.349 30 20 DBED C=C[C@@H](C)[C@H](C)C(=O)NCC1(O)CN(C(=O)c2cnon2)C1 1044980795 OZQREXOJSRAZKO-ZJUUUORDSA-N 308.338 -0.169 30 20 DBED C#CCCN1CC[C@H](N2CCN(C(=O)c3cnnn3C)CC2)C1 1046028534 TXQQAMVKRKJFPD-AWEZNQCLSA-N 316.409 -0.330 30 20 DBED Cn1nnnc1CN1CC[C@](C)(NC(=O)c2c[nH]c(C#N)c2)C1 1046252712 HLMLSGHTWOZWNW-AWEZNQCLSA-N 314.353 -0.196 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@@H](N(C)C(=O)c2cnc(O)n2C)C1 1047486981 SOZIQBUFSFBHKY-QWRGUYRKSA-N 314.773 -0.005 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C(N)=O)[nH]2)C1 1047530004 YWRNDCSRXUJNRH-STQMWFEESA-N 304.350 -0.746 30 20 DBED C=C[C@H](CC)CC(=O)N(C)[C@H]1CN(C(=O)CC(N)=O)C[C@@H]1O 1049277020 ZHWZLOBLUWSLHJ-WOPDTQHZSA-N 311.382 -0.506 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCCCC(N)=O)C1 1049554796 RWXJAAUDLPOSQN-SRVKXCTJSA-N 324.381 -0.778 30 20 DBED C#CCCN1CCC2(CC1)CN(C(=O)C[C@H]1CC(=O)NC1=O)C2 1050776347 IIPPNXOKCBIUJP-CYBMUJFWSA-N 317.389 -0.013 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1051042865 GLMOZTGYXCPIIS-LJISPDSOSA-N 308.378 -0.512 30 20 DBED C#CCCN1CCOC[C@@H]1CNC(=O)[C@H]1CN(C(C)C)CCO1 1051080827 FASWYQRQCDFDEB-JKSUJKDBSA-N 323.437 -0.064 30 20 DBED N#Cc1nccc(N2CC[C@@H](NC(=O)c3cocn3)[C@H](O)C2)n1 1051637904 JOGNOTCWFFMDSE-MWLCHTKSSA-N 314.305 -0.294 30 20 DBED N#CCN1CCN([C@@H]2CCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C2)CC1 1052064565 GGPJVCNFWBRGQW-KBXIAJHMSA-N 304.394 -0.379 30 20 DBED C#CCOCCC(=O)N1C[C@H](C)[C@H](CNC(=O)CNC(C)=O)C1 1052594585 VSAUZQDMFMKXRW-GXTWGEPZSA-N 323.393 -0.627 30 20 DBED C#CCN1CCC[C@@H](NC(=O)[C@@H]2CCN(C)S2(=O)=O)CC1 1052785464 HVWBUVKKBKVMJN-OLZOCXBDSA-N 313.423 -0.376 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)[C@]1(C)CCC(=O)NC1)CCO2 1053389306 KGTRJZRLLJSUSA-MRXNPFEDSA-N 319.405 -0.161 30 20 DBED C=CCCN1CC2(C1)CN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)CCO2 1053426026 IUXSGLIBVLBZFI-QWHCGFSZSA-N 323.393 -0.491 30 20 DBED C=CCN1CC2(C1)CN(C(=O)CCN1CCOCC1)CCO2 1053472739 RMTXACCDIFQTIS-UHFFFAOYSA-N 309.410 -0.192 30 20 DBED C#CCN1CC2(CC[C@@H](CNC(=O)[C@H]3CC(=O)N(C)C3)O2)C1 1053606505 LXDFEELLQQYISS-STQMWFEESA-N 305.378 -0.553 30 20 DBED C#CCCN1CC2(CC[C@H](CNC(=O)[C@H]3CCC(=O)NC3)O2)C1 1053620396 LLFPNZYIBAAVTP-UONOGXRCSA-N 319.405 -0.115 30 20 DBED C#CCCN1CC2(CC[C@H](CNC(=O)[C@@H]3CCNC3=O)O2)C1 1053640586 BSHHEJBATSMVAG-CHWSQXEVSA-N 305.378 -0.505 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)Cc3n[nH]c(C)n3)CO2)C1 1053799242 PTXXBNQYQRTYNJ-LBPRGKRZSA-N 303.366 -0.362 30 20 DBED COc1nc(C)ncc1C(=O)N[C@H]1COC2(C1)CN(CC#N)C2 1053823467 MUJQJRPIITZPOX-LLVKDONJSA-N 317.349 -0.110 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)C[C@@H]3CCC(=O)NC3)CO2)C1 1053828402 STKWBTZXUJBVHD-QWHCGFSZSA-N 305.378 -0.505 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CN(C(=O)CNC(=O)C3CC3)C[C@H]2C1 1055196342 PULFCBGMYOJKGD-RTXFEEFZSA-N 318.377 -0.411 30 20 DBED C=CCn1cc(C(=O)N2CCC[C@](CO)(NC(=O)CC)C2)nn1 1055659849 LEDNWYWFANSHEQ-HNNXBMFYSA-N 321.381 -0.043 30 20 DBED N#Cc1nccnc1N1CCN(C(=O)C[C@H]2COC(=O)C2)CC1 1055769712 UMBNYQKDWZDORV-LLVKDONJSA-N 315.333 -0.050 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@](CO)(NC(=O)Cn2ccnc2)C1 1055996521 FQAHRKUXWMIPLA-DOMZBBRYSA-N 319.365 -0.488 30 20 DBED Cc1nsc(N2CCN(C(=O)[C@@H]3CNC(=O)N3)CC2)c1C#N 1055998446 HHRFTPYIVCQULV-JTQLQIEISA-N 320.378 -0.347 30 20 DBED N#Cc1nccc(N2C[C@@H]3C(NC(=O)c4cc[n+]([O-])cc4)[C@H]3C2)n1 1056100308 NPKMPTAXMPNJDA-RYUDHWBXSA-N 322.328 -0.154 30 20 DBED N#Cc1cccnc1N1C[C@H]2C(NC(=O)Cn3cncn3)[C@@H]2C1 1056216314 JTQAIEBUJJKKLS-VXGBXAGGSA-N 309.333 -0.204 30 20 DBED C#CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)[C@H](C)COC 1057583329 NMOKDQVSRQJHFS-OLZOCXBDSA-N 314.382 -0.756 30 20 DBED Cn1cc(C(=O)N[C@H]2CCN(c3cnc(C#N)cn3)C2)nc1O 1058532709 IHWVECAXLRUNQV-VIFPVBQESA-N 313.321 -0.204 30 20 DBED N#Cc1ccc(N[C@H]2CCN(C(=O)[C@@H]3CCC(=O)N3)C2)nn1 1058935387 JLUDSQGERHTAFQ-QWRGUYRKSA-N 300.322 -0.360 30 20 DBED N#Cc1cnc(N[C@H]2C[C@@H](NC(=O)C[C@@H]3CCNC3=O)C2)cn1 1059739061 WKQQLHRRTYNDIX-GARJFASQSA-N 314.349 -0.066 30 20 DBED Cn1c(C(=O)N[C@H]2C[C@@H](N=c3cc[nH]c(C#N)n3)C2)cccc1=O 1059818298 SFBYTCURAJMEIO-PHIMTYICSA-N 324.344 -0.158 30 20 DBED N#Cc1cc(C(=O)NCC[C@@H]2CCN(C(=O)C(N)=O)C2)c[nH]1 1060271847 XRDBTWROBOVOIN-SECBINFHSA-N 303.322 -0.660 30 20 DBED N#Cc1ccc(NC[C@@H]2CCN(C(=O)Cn3cnnn3)C2)nc1 1060802998 HQWOQLMASUHBCU-LBPRGKRZSA-N 312.337 -0.100 30 20 DBED C=CCOCC(=O)NC[C@H]1COCCN1C(=O)CSC 1061421524 QSKZNCYKDKBJOS-NSHDSACASA-N 302.396 -0.104 30 20 DBED N#Cc1nccc(N2CCC[C@@H]2CNC(=O)[C@H]2CNC(=O)N2)n1 1061440949 LUXKCSFDRNXHLC-NXEZZACHSA-N 315.337 -0.885 30 20 DBED Cc1nonc1C(=O)N1CCOC[C@H]1CNC(=O)[C@H](C)C#N 1061850743 BCIHJXDQJSNFGD-PSASIEDQSA-N 307.310 -0.505 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(NC(=O)Cc2nc[nH]n2)CCC1 1063043656 TWPOCHAVQUFQSA-LLVKDONJSA-N 319.365 -0.459 30 20 DBED C[C@]1(NC(=O)[C@H]2CNC(=O)N2)CCN(c2ccnc(C#N)n2)C1 1065326309 OCXYXTCKQMEVGF-OTYXRUKQSA-N 315.337 -0.885 30 20 DBED Cc1nc[nH]c1C(=O)N1CCO[C@H](CNC(=O)[C@@H](C)C#N)C1 1065330938 HBYCWAAUVAKYTP-GXSJLCMTSA-N 305.338 -0.165 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CN(C(=O)c2cnc(O)n2C)CCO1 1065420522 JIXCADRYQKJGKA-ZJUUUORDSA-N 321.337 -0.757 30 20 DBED CN(C(=O)c1cc[nH]c1)[C@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1065626137 MQLDZQBPAMDLQZ-STQMWFEESA-N 312.333 -0.002 30 20 DBED C#CCO[C@H](C)C(=O)N1CC2(CN(C(=O)[C@@H](C)C#N)CCO2)C1 1068450956 CNKWAYKZTSDDSL-QWHCGFSZSA-N 319.361 -0.376 30 20 DBED C=C1CC(C)(C(=O)NC[C@H]2CCC3(CN(C(=O)C(N)=O)C3)O2)C1 1068627357 AHIQMLQULPSEPL-LLVKDONJSA-N 321.377 -0.296 30 20 DBED O=C(C#CC1CC1)N[C@@H]1COC2(C1)CN(C(=O)c1nc[nH]n1)C2 1068860748 QPVRVVJRNGEVFH-NSHDSACASA-N 315.333 -0.682 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1COC2(C1)CN(C(=O)CN1CCCC1)C2 1069008668 ULIIARVFIKDKSJ-STQMWFEESA-N 320.393 -0.272 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H]2CCCCN2C)C1 1069959384 SPNCCNNBGAEFKR-KFWWJZLASA-N 316.409 -0.263 30 20 DBED C=CCN[C@@H]1CN(C(=O)[C@@]2(C)CCNC2=O)C[C@@H]1n1ccnn1 1070272299 GOJFYJXCDNYIEN-XUJVJEKNSA-N 318.381 -0.668 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)[C@@H]4CCC(=O)NC4)C[C@@]3(C1)O2 1070818640 KRCCZDJHKINRDF-UMPJEAMMSA-N 317.389 -0.553 30 20 DBED C[C@H]1CN(C(=O)CCn2cncn2)C[C@]2(CCN(CC#N)C2)O1 1071136825 QOVLMRLVBAXYMQ-DZGCQCFKSA-N 318.381 -0.116 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1C 1072160702 GRHUDODOGQGHGZ-NWDGAFQWSA-N 322.369 -0.771 30 20 DBED CC(=O)NCC(=O)N[C@H]1CCN(C(=O)C#CC2CC2)C[C@H]1C 1073655991 KKYPDUWTMJTJJG-RISCZKNCSA-N 305.378 -0.111 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)[C@H]2COCCN2CC)C1 1073670966 SSIIJOWMXUUFHQ-LSDHHAIUSA-N 309.410 -0.453 30 20 DBED N#CCN1CCO[C@@H]2CCN(C(=O)c3coc(C(N)=O)c3)C[C@@H]21 1074302595 SYZMPDIUDQTYGZ-NWDGAFQWSA-N 318.333 -0.183 30 20 DBED C[C@H]1C[C@H](NC(=O)CSCC#N)CCN1C(=O)CC(N)=O 1074840582 KBVOHBIKKFYIED-VHSXEESVSA-N 312.395 -0.386 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCN(C(=O)CC(N)=O)[C@H](C)C1 1074990340 FBOOQXPIODJEFN-VXGBXAGGSA-N 309.366 -0.603 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](NC(=O)c2nc[nH]n2)C[C@@H]1C 1075101944 OZTGONDZGBTIPC-NWDGAFQWSA-N 319.365 -0.046 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CNC(=O)c3ccccc32)C1 1077147550 UTHDRXJSGLDQEK-MGPQQGTHSA-N 314.345 -0.802 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2ccon2)C[C@H]1O 1077158786 YPFGPQXMWUQEKF-QLFBSQMISA-N 318.377 -0.567 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCCN2C(N)=O)C1 1077981712 YMEWQTIQKJPCCK-JHJVBQTASA-N 308.382 -0.896 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2cc3c(O)ncnc3cn2)C1 1078090202 IGFIAMXUEVLRKL-CHWSQXEVSA-N 313.317 -0.862 30 20 DBED Cn1cnc(C(=O)N[C@@H]2C[C@H](NCC#N)C23CCC3)cc1=O 1078649802 OFWOXFNPRFGCJR-NWDGAFQWSA-N 301.350 -0.066 30 20 DBED C#CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)c2cnn(C)n2)C1 1079775375 XNFWBOVTOUXXNF-LLVKDONJSA-N 319.365 -0.474 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CO)(NC(=O)c2cnon2)CC1 1080961274 CCDZBTDPPMZVTL-SECBINFHSA-N 307.310 -0.687 30 20 DBED C[C@H](C#N)C(=O)NC1(CO)CCN(C(=O)Cn2cccn2)CC1 1080981923 OYPXGHLPFVYWFM-GFCCVEGCSA-N 319.365 -0.488 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)c2cn(C)cn2)C[C@@H]1O 1081463033 IYFLVCDBEGFBLE-OCCSQVGLSA-N 318.377 -0.371 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)CC(=O)N(C)C)C[C@H]1O 1081468861 PQBDDQGCHXEDTO-CHWSQXEVSA-N 323.393 -0.940 30 20 DBED C#CCCCCC(=O)N1C[C@H](CNC(=O)c2cnn[nH]2)[C@@H](O)C1 1081589196 BRVMAZUTRFHGNU-AAEUAGOBSA-N 319.365 -0.453 30 20 DBED C=C1CC(C)(C(=O)NC[C@H]2CN(C(=O)c3cnn[nH]3)C[C@H]2O)C1 1081750499 WFROEQWHAMEIOQ-CMPLNLGQSA-N 319.365 -0.290 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@@]1(C)CCCS1(=O)=O 1082224414 IHZKAGZRMDJIOA-NQBHXWOUSA-N 315.395 -0.707 30 20 DBED C=CCCN1C[C@@H](NC(=O)c2cn(C)c(=O)nc2O)[C@H](OC)C1 1082367040 JTSSKSDFJFVNNB-VXGBXAGGSA-N 322.365 -0.509 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)Cc2cn3cc(F)ccc3n2)C1 1083674135 OIMLWIGLYLPSNJ-KGLIPLIRSA-N 316.336 -0.190 30 20 DBED C=CCCC(=O)N[C@@H]1CN(c2ncnc3c2cnn3C)C[C@H]1O 1090394749 PPGUXSYZSYYVAR-VXGBXAGGSA-N 316.365 -0.005 30 20 DBED Cc1noc2ncnc(N3C[C@@H](O)[C@H](NC(=O)[C@H](C)C#N)C3)c12 1090403855 CLQZZLQTWYNZIF-SZEHBUNVSA-N 316.321 -0.248 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2cc(=O)c(OC)c[nH]2)[C@@H](O)C1 1090433622 RLOOZJRVFNPDJZ-RISCZKNCSA-N 319.361 -0.428 30 20 DBED CC(C)(C(N)=O)C(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1O 1090502529 RHFDZDAHJSBLLM-VXGBXAGGSA-N 317.349 -0.870 30 20 DBED C=CCCN1CC[C@@H](NC(=O)c2ccc(C(N)=O)[nH]2)[C@@H](O)C1 1090574375 RWVGHLWADCFYJZ-MFKMUULPSA-N 306.366 -0.145 30 20 DBED Cc1ccnc(N2C[C@H](O)[C@H](NC(=O)CSCC#N)C2)n1 1091070269 BMYMHBIGHMQYPW-MNOVXSKESA-N 307.379 -0.293 30 20 DBED CCCN(C)CC(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1091129997 KRKNJSREXCCPOS-OLZOCXBDSA-N 318.381 -0.644 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CCN(c2ccc3nnnn3n2)[C@@H]1C 1091944522 CVPSRAGVXOPDQT-BBBLOLIVSA-N 300.326 -0.238 30 20 DBED C#CCN1C[C@@H](C)[C@H](CNC(=O)[C@@H]2CCN(C)S2(=O)=O)C1 1093044188 COOMWSBIKJCWOE-UPJWGTAASA-N 313.423 -0.662 30 20 DBED C=CCOCC(=O)NC1[C@H]2CN(c3nccn4nnnc34)C[C@H]12 1093223077 QBYHVOAOWGTKKR-UWVGGRQHSA-N 315.337 -0.727 30 20 DBED CNC(=O)CC(=O)NC1[C@@H]2CN(c3cc(C)ncc3C#N)C[C@@H]12 1093241157 AEUUYHAWKSGXJE-VXGBXAGGSA-N 313.361 -0.051 30 20 DBED COC[C@H](OC)C(=O)N[C@H]1[C@@H]2CN(c3cncc(C#N)n3)C[C@@H]21 1093346560 XSHDBEIXDSKPMJ-KZVDOYCCSA-N 317.349 -0.440 30 20 DBED N#Cc1ccc([N+](=O)[O-])c(NCCNC(=O)CNC(N)=O)c1 1093501373 VOBGNELAJACSKF-UHFFFAOYSA-N 306.282 -0.337 30 20 DBED CNC(=O)[C@@H](C)N1CC(OC2CCN(C(=O)[C@H](C)C#N)CC2)C1 1093517510 PXQWERWBCSKNEN-VXGBXAGGSA-N 322.409 -0.028 30 20 DBED Cc1[nH]nc(C(=O)N[C@H]2CC(=O)N(C3CN(CC#N)C3)C2)c1C 1094713417 AKKPXOLONHKUMP-NSHDSACASA-N 316.365 -0.435 30 20 DBED N#CCN1CC(N2C[C@H](NC(=O)C3[C@H]4CCC[C@H]34)CC2=O)C1 1094720707 PHVYQIZTPNIXSH-WXHSDQCUSA-N 302.378 -0.043 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)c3cc(C)ncn3)CC2=O)C1 1094726046 DIMUHQGOVVCXQZ-GFCCVEGCSA-N 315.377 -0.014 30 20 DBED CNC(=O)NCC(=O)NCCCN(C)c1ncc(C#N)cc1F 1095762969 OREBLDLTLLAFFN-UHFFFAOYSA-N 322.344 -0.036 30 20 DBED CC(=O)NCC(=O)N[C@H]1CCN(c2ncc(C#N)cc2F)C1 1096309275 BBAWNYPXWXMZSY-NSHDSACASA-N 305.313 -0.077 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CCN(c2nccc(OC)n2)C1 1096360397 MXJVGOFTDPCFTL-NSHDSACASA-N 317.349 -0.680 30 20 DBED N#Cc1nccc(N2CCC[C@@H](CNC(=O)CC(N)=O)C2)n1 1097290273 XUGFICRKOKQRIQ-JTQLQIEISA-N 302.338 -0.444 30 20 DBED CCOCCOCC(=O)N1CCC(N(CC#N)CCO)CC1 1098575439 ORMRBSAVAKQQCQ-UHFFFAOYSA-N 313.398 -0.152 30 20 DBED C[C@H](CCNC(=O)Cn1nccn1)Nc1ccc(C#N)nn1 1099536488 LFKFKOXGUWFSTC-SNVBAGLBSA-N 300.326 -0.053 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)c2ccc(C)o2)[C@@H](O)C1 1099641781 HUCKWHPOYWSXHR-STQMWFEESA-N 319.361 -0.498 30 20 DBED C=CCCCN1CC[C@H](NC(=O)CS(C)(=O)=O)[C@@H](O)C1 1099719317 ZXMHMSZHDQZLLJ-RYUDHWBXSA-N 304.412 -0.451 30 20 DBED C=CCCC(=O)N[C@@H]1CCN(CCS(C)(=O)=O)C[C@H]1O 1099727315 OINZGWWXHGTZHA-VXGBXAGGSA-N 304.412 -0.451 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(Cc2csnn2)C[C@@H]1O 1099741598 WAEWVIQBQUGHKD-NEPJUHHUSA-N 312.395 -0.208 30 20 DBED C#CCN1CC[C@H](NC(=O)C2(COC)CCOCC2)[C@H](O)C1 1099865716 BZKZFJOHJJIJOP-UONOGXRCSA-N 310.394 -0.386 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)CS(=O)(=O)CCC)[C@H](O)C1 1100113836 FTNTYNRYNZAPBB-QWHCGFSZSA-N 318.439 -0.061 30 20 DBED CN(CCNC(=O)[C@H]1CC[C@@H]1C(N)=O)c1ccc(C#N)nn1 1100268764 HQIDXUWQGVRIED-QWRGUYRKSA-N 302.338 -0.588 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1CC(NCc2nnn(C)n2)C1 1100285555 LWLDUYNQWXHNEJ-QIMFLAQGSA-N 308.386 -0.478 30 20 DBED O=C(C#CC1CC1)NCC1CC(NCC(=O)N2CCOCC2)C1 1100314694 AEODZVBVWDAZQY-UHFFFAOYSA-N 319.405 -0.257 30 20 DBED CN(CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)c1ccncc1C#N 1100324202 BQRXOWGLNVANAZ-QWHCGFSZSA-N 317.349 -0.461 30 20 DBED N#Cc1cnc(N(CCNC(=O)[C@@H]2COC(=O)N2)C2CC2)cn1 1101335828 BOUZZGTYLYKFAT-NSHDSACASA-N 316.321 -0.458 30 20 DBED COCC(=O)N[C@@H](C)C(=O)N(C)CCNc1ncccc1C#N 1102007478 YJVVDBRENVYIOR-NSHDSACASA-N 319.365 -0.025 30 20 DBED CNC(=O)NCC(=O)N(C)CCN=c1cc(C)[nH]cc1C#N 1102017949 AJMDPJJMOUNGHB-UHFFFAOYSA-N 304.354 -0.517 30 20 DBED CN(C[C@@H]1CCN(C(=O)CNC(N)=O)C1)c1ccc(C#N)nc1 1102428026 POJMJMKZSVIIPL-NSHDSACASA-N 316.365 -0.094 30 20 DBED Cc1nc(N2C[C@@H]3C[C@H]2CN3C(=O)CNC(N)=O)ccc1C#N 1102536034 FMVVKFHMJGZCSS-RYUDHWBXSA-N 314.349 -0.281 30 20 DBED COC[C@@H](OC)C(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(C#N)n1 1102570965 CRNLUOOQWNYSJI-SDDRHHMPSA-N 317.349 -0.201 30 20 DBED CC[C@H](CNC(=O)[C@H](COC)OC)N=c1cc[nH]c(C#N)n1 1103302728 SCCAOYIPKPBLOR-MNOVXSKESA-N 307.354 -0.262 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H]1CN(c2cc(F)ncn2)CCO1 1104330353 NJSWYHZCBUVWNY-NWDGAFQWSA-N 322.340 -0.025 30 20 DBED C[C@@H](CNc1ccc(C#N)nn1)N(C)C(=O)[C@@H]1CN(C)CCO1 1104538175 LMGAZHKBXQMRSS-AAEUAGOBSA-N 318.381 -0.062 30 20 DBED C=CCCC(=O)N1CC(n2cc(CN[C@H](CC)C(N)=O)nn2)C1 1105186054 ZCPSZOLHUYAIQL-CYBMUJFWSA-N 320.397 -0.019 30 20 DBED N#CCNCc1cn(C2CN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)nn1 1105331489 BVONSAWBVXRALN-MCIONIFRSA-N 316.365 -0.158 30 20 DBED N#Cc1cncc(NC[C@H](O)CNC(=O)Cn2cccn2)n1 1105722748 XFIPSZXIQAJGTH-NSHDSACASA-N 301.310 -0.866 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H](O)CNC(=O)[C@H]1CCCCO1 1105819876 NFNWUPLTMZCDFK-GXTWGEPZSA-N 304.350 -0.167 30 20 DBED CCC(=O)N[C@H](C)C(=O)N[C@H](C)CCN=c1cc[nH]c(C#N)n1 1106618943 HWOSGDLFTFZHCW-GHMZBOCLSA-N 318.381 -0.008 30 20 DBED N#Cc1nc(=NC/C=C\CNC(=O)[C@@H]2COCCO2)cc[nH]1 1107050330 GACOXDAGGDUHAM-BVBSBALXSA-N 303.322 -0.730 30 20 DBED C=CCNC(=O)CNC[C@@H]1CN(C(=O)c2nonc2C)C[C@H]1C 1107083916 SKRRCNCAAYJMSP-ZYHUDNBSSA-N 321.381 -0.022 30 20 DBED N#Cc1cncc(NC/C=C\CNC(=O)Cn2cnnc2O)n1 1107134097 QZVZBPCMZOKBBH-UPHRSURJSA-N 314.309 -0.570 30 20 DBED C[C@@H](C(=O)NC/C=C/CN=c1cc[nH]c(C#N)n1)S(C)(=O)=O 1107576875 QZYVMGJRWADXNA-FSIBCCDJSA-N 323.378 -0.712 30 20 DBED C[C@]1(CNC(=O)C#CC2CC2)CN([C@@H]2CCCNC2=O)CCO1 1107933071 XVJGCXPAZUSMKU-PBHICJAKSA-N 319.405 -0.115 30 20 DBED Cc1cc(=NC[C@@H](C)NC(=O)c2c[nH]c(=O)cn2)c(C#N)c[nH]1 1108088632 MGWMVVITEQRHFQ-SNVBAGLBSA-N 312.333 -0.003 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)CNC(=O)[C@@H](C)CC)C1 1108405017 QKUNNEMWZNBFLY-XJKSGUPXSA-N 309.410 -0.011 30 20 DBED CNS(=O)(=O)CC(=O)N1C[C@H]2C[C@@H](NCC#N)C[C@H]1C2 1108823851 RRRVBQIWRUCQCX-HBNTYKKESA-N 300.384 -0.972 30 20 DBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)COC 1108846602 DGRMULWPOKNSQS-WOPDTQHZSA-N 324.381 -0.634 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1nnn(C)n1 1109212709 GTRGTOBLWCYVNR-OXJKWZBOSA-N 320.397 -0.241 30 20 DBED C[C@H](CN(C)c1ccnc(C#N)n1)NC(=O)[C@H]1CCC(=O)NC1 1109305655 SMRICQBNAWEEQE-MNOVXSKESA-N 316.365 -0.185 30 20 DBED CCc1nc(C#N)cc(NC2(CNC(=O)CNC(N)=O)CC2)n1 1110043256 DVBVJLSMHHRXGF-UHFFFAOYSA-N 317.353 -0.360 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCNS(C)(=O)=O 1110402067 WDCXKMFRGWQOQK-QCNOEVLYSA-N 314.411 -0.583 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cc1cc[nH]n1 1110409493 AVTMFKYSQBCCAI-MCIONIFRSA-N 315.377 -0.577 30 20 DBED CCC(=O)NCC(=O)N(CCO)CCNc1ncccc1C#N 1111429549 PNHKVIVPZKNHBR-UHFFFAOYSA-N 319.365 -0.288 30 20 DBED Cn1ncc(C(=O)N(CCO)CCNc2ccc(C#N)nc2)n1 1111484776 PECIYQCWUPDVEA-UHFFFAOYSA-N 315.337 -0.372 30 20 DBED CNC(=O)CC(=O)NC[C@@H]1CN(c2ccc(C#N)cn2)C[C@@H]1O 1112710099 SSBSWSSTWWBCLS-NEPJUHHUSA-N 317.349 -0.997 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCN(CCCS(C)(=O)=O)CC1 1112841933 RPJCQWVVIOOPEP-ZDUSSCGKSA-N 316.423 -0.396 30 20 DBED C[C@@H](NC(=O)CS(C)(=O)=O)[C@@H](C)Nc1cnc(C#N)cn1 1112926052 OFWIAGCEPQVRDZ-RKDXNWHRSA-N 311.367 -0.302 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1[C@@H]2CN(Cc3nc(N(C)C)no3)C[C@@H]21 1114064802 VNQSWMNJNUCVQX-UXCLJVHYSA-N 304.354 -0.158 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3cc(OC)no3)[C@H]2C1 1114155129 GWUPTUONHGDVEN-UWVGGRQHSA-N 318.333 -0.907 30 20 DBED CO[C@H](C)CCC(=O)NC1[C@H]2CN(CC(=O)NCC#N)C[C@H]12 1114168965 ZYXPTKZHRQFSLB-WOPDTQHZSA-N 308.382 -0.512 30 20 DBED COCC#CCN1C[C@@H]2C(NC(=O)C(=O)NCC(F)F)[C@H]2C1 1114506840 BVRBSMDYLHKCDK-UWVGGRQHSA-N 315.320 -0.936 30 20 DBED N#Cc1cnc(N2C[C@H]3[C@H](CNC(=O)C(N)=O)[C@H]3C2)c(Cl)c1 1114620713 VRLCCZHXMDWVEN-OWUUHHOZSA-N 319.752 -0.110 30 20 DBED N#CCNC1(CNC(=O)CN2CC(=O)NC2=O)CCCCC1 1115776077 HPYPXOFVGODCHZ-UHFFFAOYSA-N 307.354 -0.530 30 20 DBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[C@](O)(CC#N)C1 1118225330 DGYDVMKXCVHYRO-HEHGZKQESA-N 321.377 -0.039 30 20 DBED C=CCC1(O)CCN(C(=O)C(=O)N2C[C@@H]3CC[C@H](C2)N3)CC1 1119375468 GJXPMBGMUMGQAZ-BETUJISGSA-N 307.394 -0.121 30 20 DBED N#Cc1c(F)cccc1N[C@@H](CO)CNC(=O)CNC(N)=O 1121018121 LKWBIXXRKMRVLT-MRVPVSSYSA-N 309.301 -0.745 30 20 DBED COCc1nc(C)cc(N[C@H](CO)CNC(=O)[C@H](C)C#N)n1 1121204502 HRTQHYIWENJHPN-KOLCDFICSA-N 307.354 -0.020 30 20 DBED Cc1cc(=N[C@H](CO)CNC(=O)CN(C)C(C)C)c(C#N)c[nH]1 1121668675 JDHSXOWLMPTLHB-AWEZNQCLSA-N 319.409 -0.087 30 20 DBED CN1CCC(C(=O)NC[C@H](CO)N=c2cc[nH]c(C#N)n2)CC1 1121718833 QVESMXQWFPMLMQ-GFCCVEGCSA-N 318.381 -0.999 30 20 DBED CN(C)[C@@H](C(=O)NC[C@@H](CO)Nc1nccnc1C#N)C1CC1 1122152942 LTJJCUOTFSMXBK-WCQYABFASA-N 318.381 -0.423 30 20 DBED CCN(C)C(C)(C)C(=O)NC[C@@H](CO)Nc1cncc(C#N)n1 1122189178 CUPSTTZIKBUMRX-LBPRGKRZSA-N 320.397 -0.032 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)C[C@@H]2CCNC2=O)cn1 1122192362 YGZVDFLPFMKNLB-GWCFXTLKSA-N 317.349 -0.632 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)[C@]2(F)CCOC2)nn1 1122411070 NRDJJLAHXPEYHM-MFKMUULPSA-N 309.301 -0.634 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)c1ccn(C)c1 1124247175 ZFNPGUPTYFNNOH-GFCCVEGCSA-N 314.349 -0.346 30 20 DBED CN(C[C@@H](O)CNc1ccc(C#N)cn1)C(=O)c1nnn(C)n1 1124648071 BEKXBCOOQFPHOH-JTQLQIEISA-N 316.325 -0.978 30 20 DBED CN(C[C@H](O)CNc1nccnc1C#N)C(=O)[C@]1(F)CCOC1 1124664944 CBROXNLJOWWNSO-YGRLFVJLSA-N 323.328 -0.292 30 20 DBED C=CCOCC(=O)N(C)C[C@@H](O)CN(C)c1cncc(C#N)n1 1124989361 VEJWCGCKNPCDEO-ZDUSSCGKSA-N 319.365 -0.194 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cnc2[nH]cnc2c1 1128418353 NKXYPDAZSJLZCW-UHFFFAOYSA-N 300.322 -0.973 30 20 DBED N#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)CCc2cn[nH]c2)C1 1129313167 ZIQKMXBPLWXCKF-OLZOCXBDSA-N 314.353 -0.501 30 20 DBED COCC#CCNCCNC(=O)[C@H]1CNC(=O)c2ccccc21 1129639908 AKFROXVGCOSHOY-HNNXBMFYSA-N 315.373 -0.131 30 20 DBED C=CCOCCNCCNC(=O)[C@H]1CCc2nnc(O)n2C1 1130445599 SEUFJRVYWOYKGR-NSHDSACASA-N 309.370 -0.546 30 20 DBED CCC(=O)N1C[C@@H](NCC(=O)NCC#N)[C@H](c2cn(C)cn2)C1 1130473885 IAOVSTJCNSALES-WCQYABFASA-N 318.381 -0.646 30 20 DBED C#CCN[C@@H]1CN(C(=O)CNC(=O)OC)C[C@H]1c1cncn1C 1130924994 MOADHXSNPBITFQ-VXGBXAGGSA-N 319.365 -0.707 30 20 DBED CN(C)CCC(=O)NCc1nc([C@H]2C[C@H](F)CN2CC#N)n[nH]1 1131159326 URMJQMLGEZKCIV-WDEREUQCSA-N 323.376 -0.019 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1C[C@H]1C1CCOCC1 1131247364 HACZQIUDXYKKBD-VHDGCEQUSA-N 321.421 -0.107 30 20 DBED CC(=O)NC(C)(C)C(=O)N1C[C@H]2C[C@@H]3CN(CC#N)C[C@]2(C1)O3 1131276588 GMKOXDJETAVRSH-XJKCOSOUSA-N 320.393 -0.274 30 20 DBED CC(C)C#CC(=O)N1CCC(=O)NCCN(C[C@@H](C)O)CC1 1131360573 ZYHHDDMQWDKPRL-CQSZACIVSA-N 309.410 -0.323 30 20 DBED C#CCNC(=O)CN1C[C@H](NC(=O)c2ncc[nH]2)CC[C@@H]1C 1132005989 DUCCXBDNVJHWIW-NWDGAFQWSA-N 303.366 -0.258 30 20 DBED CCS(=O)(=O)NCC(=O)N[C@H]1CC[C@@H](C)N(CC#N)C1 1132087552 PSKMDYARBQXNSV-MNOVXSKESA-N 302.400 -0.582 30 20 DBED CCCN(C)CC(=O)N[C@H]1CC[C@@H](C)N(CC(=O)NCC#N)C1 1132441192 LXZPFBQQMHOLDW-KGLIPLIRSA-N 323.441 -0.063 30 20 DBED C#CCNC(=O)CNCCNC(=O)Cc1cccc(F)c1F 1134400690 NIXCREOWDNFRSY-UHFFFAOYSA-N 309.316 -0.038 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1c(C)nn(C)c1OC 1134594415 ILDIAELXGNRZHJ-UHFFFAOYSA-N 309.370 -0.641 30 20 DBED Cc1nc[nH]c1CC(=O)N[C@@H](C)C[C@@H](C)NCC(=O)NCC#N 1136031807 QOFBSFZTFUNRMH-MNOVXSKESA-N 320.397 -0.227 30 20 DBED C#CCN[C@H](C)C[C@H](C)NC(=O)CCCN1C(=O)CNC1=O 1146216189 IYKNZZMINXZZOF-NEPJUHHUSA-N 308.382 -0.176 30 20 DBED C#Cc1ccc(C(=O)NCCNCCN2CCNC2=O)nc1 1148370238 PAEILKANXWGMIT-UHFFFAOYSA-N 301.350 -0.593 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)COCCC=C)C2 1148893940 XHFCYNIZDHRQHM-UHFFFAOYSA-N 319.405 -0.137 30 20 DBED C=CCN1CCCO[C@@H](CNC(=O)Cn2nc(C)ccc2=O)C1 1150620379 OQIWEBJHMWPLJJ-AWEZNQCLSA-N 320.393 -0.055 30 20 DBED C=CCNC(=O)CNCCCNC(=O)CN(C)C(=O)C(C)C 1159162027 MYAABKLFSZTUIS-UHFFFAOYSA-N 312.414 -0.501 30 20 DBED C=CCn1cccc1C(=O)NCCCN[C@H](C)C(=O)NC(N)=O 1159988395 ZSGZJJLXCPUACN-LLVKDONJSA-N 321.381 -0.033 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)c1ncc(OC)cn1 1162224198 WQLJPRAMEZEDDN-NSHDSACASA-N 319.365 -0.667 30 20 DBED C#CCNC(=O)CNCC1(CCNC(=O)c2ccnn2C)CC1 1163711565 ROSPNWYJXDDBBX-UHFFFAOYSA-N 317.393 -0.341 30 20 DBED C#CCNCC1(CCNC(=O)c2cc(=O)n3[nH]cnc3n2)CC1 1167728954 GHDARUPQCADBSN-UHFFFAOYSA-N 314.349 -0.460 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@@](C)(NC(C)=O)C1CC1 1170859268 LJGJZWMCDSAEGE-INIZCTEOSA-N 322.409 -0.864 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@H]1CCCCN(C)C1=O 1171018355 FGKRROVRSPXHPG-CYBMUJFWSA-N 324.425 -0.357 30 20 DBED C=CCNC(=O)CNCCCNC(=O)c1cccnc1C(N)=O 1176768178 LEHVQPKKQXLSHZ-UHFFFAOYSA-N 319.365 -0.808 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H]2OCCN(CCC)[C@H]2C1 1176988430 JCYNPDWRSGLQMS-KBPBESRZSA-N 307.394 -0.162 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)CNC(=O)CCC)[C@H]1C 1178238603 FRHYOLYAKSZSOE-STQMWFEESA-N 322.409 -0.769 30 20 DBED C=CCOCCN[C@@H]1CCN(C(=O)CN2CCN(C)C(=O)C2)C1 1183783178 UOWZGDCGWQGSSY-CQSZACIVSA-N 324.425 -0.847 30 20 DBED C[C@H]1CN(C(=O)C(=O)NCC(F)F)CC[C@H]1CNCC#N 1184701319 KHHSELJMWXJPGS-UWVGGRQHSA-N 302.325 -0.035 30 20 DBED C=CCNCc1cn([C@@H]2CCCN(C(=O)CC(=O)NC)C2)nn1 1185925690 TWJWXSXHKZVMGB-CYBMUJFWSA-N 320.397 -0.147 30 20 DBED CS[C@H](C)C(=O)N1CC[C@H]2CN(CC(=O)NCC#N)C[C@H]21 1186925017 NUGZPNIICZVGOQ-GRYCIOLGSA-N 310.423 -0.090 30 20 DBED CN(CC(=O)NCC#N)[C@@H]1CCN(C(=O)C[C@H]2CCOC2)C1 1189489276 HZZZQAPNQIQVDR-CHWSQXEVSA-N 308.382 -0.415 30 20 DBED CC(C)(CC(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1O)C1CC1 1192693423 VTWZSJXQTWRJAC-CHWSQXEVSA-N 322.409 -0.386 30 20 DBED C#CCC1(C(=O)N[C@@H]2CN(CC(=O)N(C)CC)C[C@H]2O)CCC1 1193685437 NEZKNIPNFAXCKS-ZIAGYGMSSA-N 321.421 -0.180 30 20 DBED C[C@@H](C#N)C(=O)N1CCCN(CC(=O)NC[C@H]2CCOC2)CC1 1195321814 PUGNJQNAYHJSMZ-UONOGXRCSA-N 322.409 -0.167 30 20 DBED N#CCN1CCCN(C(=O)CCCCCS(N)(=O)=O)CC1 1198433706 RAUBQSWRXDBIET-UHFFFAOYSA-N 316.427 -0.107 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)c2[nH]c(C)nc2C)CC1 1202540351 VXDILEJIUVCTHR-UHFFFAOYSA-N 317.393 -0.030 30 20 DBED C#CCN[C@@H]1C[C@H](NC(=O)CN(C)S(C)(=O)=O)C12CCC2 1202995590 ODSBVDLOGJFIJK-NEPJUHHUSA-N 313.423 -0.472 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCC(NCC(=O)NC(N)=O)CC1 1204029237 VCUKWXSXGGBSOP-JTQLQIEISA-N 312.370 -0.647 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)[C@H]1CCCOC1 1206532229 ZSJWUAFZEZDPER-FRRDWIJNSA-N 308.382 -0.511 30 20 DBED COCC#CCN1C[C@@H](NC(=O)[C@@H]2CN(C)CCO2)[C@H](C)C1 1206739700 QZCNTXBKOBDLJL-KFWWJZLASA-N 309.410 -0.597 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(CC2CCOCC2)C[C@H]1C 1206891878 MISMGPRTAKWTBV-UKRRQHHQSA-N 321.421 -0.011 30 20 DBED C#CCN1C[C@@H](NC(=O)CCCN2C(=O)CCC2=O)[C@H](C)C1 1207351137 BYMBDWKODXYEAJ-CHWSQXEVSA-N 305.378 -0.015 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)[C@H]2COCCO2)C1 1207394413 QQDXBBXDWXNPPD-QWHCGFSZSA-N 311.382 -0.715 30 20 DBED C=CCOCC(=O)N1CCC[C@H](NCCN2CCNC2=O)C1 1207679863 GBCTWYZLCIALBC-ZDUSSCGKSA-N 310.398 -0.205 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCN(C(=O)Cc2cc[nH]n2)C1 1207731687 QDWNXKKIKDPWKF-GFCCVEGCSA-N 304.354 -0.827 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(Cc2cnon2)C[C@H]1OC 1212194781 XAYHEOVPVFLELJ-BZPMIXESSA-N 310.354 -0.288 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)[C@H]2CCN(C)C(=O)C2)C[C@H]1C 1214979450 NALOSAPQDPTEBK-QLFBSQMISA-N 321.421 -0.059 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(Cc2nnnn2C(C)C)C[C@@H]1O 1219362037 OGHCKALZOJSZPD-NEPJUHHUSA-N 324.385 -0.882 30 20 DBED C=CCNC(=O)CN1CC[C@@H]2CN(C(=O)CN3CCCC3)[C@@H]2C1 1222016506 NNYZBRXWAPSZEE-HUUCEWRRSA-N 320.437 -0.083 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)[C@H](C)OCC)CC1 1222450249 CMYLUHVEBZYVRJ-ZDUSSCGKSA-N 309.410 -0.011 30 20 DBED CN1CCC[C@H]1C(=O)NCC1CCN(CC(=O)NCC#N)CC1 1222640902 DQRJFOHXWSBPSL-AWEZNQCLSA-N 321.425 -0.451 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCCC[C@H]1NCC#CCOC 1225779699 UFVSXGHBZGJJAH-HUUCEWRRSA-N 319.405 -0.207 30 20 DBED C=CCNC(=O)CN1CC[C@H]1CN(C)C(=O)[C@H]1CCNC(=O)C1 1233611262 ODXRJANQIGPPGC-STQMWFEESA-N 322.409 -0.653 30 20 DBED C=C(C)CN1CC[C@@H]1CN(C)C(=O)Cn1cnc(C(N)=O)n1 1234402255 JVWNKTSKZDQJCM-LLVKDONJSA-N 306.370 -0.514 30 20 DBED C#C[C@@H](NC(=O)NCc1nnc2n1CCOC2)[C@@H]1CCCO1 1255680858 BDLOBFQIEHTARN-MNOVXSKESA-N 305.338 -0.212 30 20 DBED Cn1nnc(CN2CCC[C@@H](NC(=O)CSCC#N)C2)n1 1265203086 BWXMJFFEYDOFMW-SNVBAGLBSA-N 309.399 -0.453 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2ncc(F)cc2F)C1 1265914588 SBWOYVJCNCTXJH-NSHDSACASA-N 322.315 -0.087 30 20 DBED N#Cc1ccc(CNC(=O)NCCN2C(=O)CNC2=O)nc1 1323173507 DKJIJHZHFDXFCB-UHFFFAOYSA-N 302.294 -0.696 30 20 DBED N#Cc1cccc(NC(=O)C(=O)NC[C@@]2(O)CCSC2)n1 1326822224 YGGHQCSGZDUHKX-ZDUSSCGKSA-N 306.347 -0.124 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)N2CCc3ncsc3C2)C1 1328425215 GKGOQQPYPRKOQO-AWEZNQCLSA-N 320.374 -0.095 30 20 DBED C=CC[C@@H](NC(=O)CN(C)S(=O)(=O)N(C)C)C(=O)OCC 1332612456 LOZOWMCPDLDVNF-SNVBAGLBSA-N 321.399 -0.651 30 20 DBED CCn1c([C@@H]2C[C@@H]2C#N)nnc1N1C[C@H]2C(=O)N(C)C(=O)[C@H]2C1 1342817296 PKUJFQSDHWCGFG-DBIOUOCHSA-N 314.349 -0.024 30 20 DBED N#CCC1(CNC(=O)C(=O)N2CC[C@@H](n3cncn3)C2)CC1 1347566836 XAVGRNRUAHJTCQ-LLVKDONJSA-N 302.338 -0.138 30 20 DBED Cc1cc(NC(=O)C(=O)N[C@@H]2CC[C@H](C(N)=O)C2)ncc1C#N 1349785526 IBROXECHVBWYGV-GXSJLCMTSA-N 315.333 -0.030 30 20 DBED CC[C@H](CCO)CNC(=O)CCn1cc(C#N)c(O)nc1=O 1362258665 SYGWCWBVSBOFKT-SNVBAGLBSA-N 308.338 -0.265 30 20 DBED N#Cc1cn(CC(=O)N2CCC(CCO)CC2)c(=O)nc1O 1362811619 LYXNKCLYGOPNSZ-UHFFFAOYSA-N 306.322 -0.558 30 20 DBED CCCc1noc(CN2CC(O)(CNC(=O)[C@H](C)C#N)C2)n1 1368288640 LOXHZQRHUBDUPR-SNVBAGLBSA-N 307.354 -0.155 30 20 DBED CCC(=O)NCC(=O)N(C)C[C@H](C)NC(=O)c1ccc(C#N)[nH]1 1381918152 MEINWULJQRAZKF-JTQLQIEISA-N 319.365 -0.011 30 20 DBED CCc1cc(C(=O)N(C)C[C@@H](O)CNC(=O)[C@H](C)C#N)no1 1384243027 NJEOAJUDCDGBJO-ZJUUUORDSA-N 308.338 -0.054 30 20 DBED CNC(=O)NC(=O)CNC[C@@H](C)N(C)C(=O)c1cc(C#N)c[nH]1 1392057071 DYNRCDNHHDDMOX-SECBINFHSA-N 320.353 -0.608 30 20 DBED C[C@@H](CNC(=O)[C@H](C)C#N)NC(=O)c1cnc2c(c1)nnn2C 1397581035 CAZFAEXQYDILQC-BDAKNGLRSA-N 315.337 -0.243 30 20 DBED CN1CC[C@@H]1CNC(=O)CNS(=O)(=O)c1cccc(C#N)c1 1413857935 IKLWLSIVFWYIRS-GFCCVEGCSA-N 322.390 -0.343 30 20 DBED CC[C@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)Cc1nc[nH]n1 1416198370 KYVQJVKFFZHNML-SNVBAGLBSA-N 315.337 -0.128 30 20 DBED C[C@H](CNC(=O)Cn1ccccc1=O)CNC(=O)[C@H](C)C#N 1416475058 SXGOZMXXBSMESN-VXGBXAGGSA-N 304.350 -0.124 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN([C@H](C)C(=O)NC(C)(C)C)C1 1421419343 QUSSMLHTNPJUJA-WDEREUQCSA-N 310.398 -0.388 30 20 DBED N#Cc1cc(NC(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)ccc1F 1434713225 YTQIENVRNNVGTF-GHMZBOCLSA-N 313.310 -0.023 30 20 DBED CCN(CCC#N)C(=O)CN1CC(NC(=O)C[C@H](C)OC)C1 1443463143 PMLBEFLETFQJFM-LBPRGKRZSA-N 310.398 -0.026 30 20 DBED CCCn1c(C)nnc1CN1CC(O)(CNC(=O)[C@H](C)C#N)C1 1446833362 UNPGAEOOUPVLKX-LLVKDONJSA-N 320.397 -0.181 30 20 DBED CC1CCC(O)(CNC(=O)Cn2cc(C#N)c(O)nc2=O)CC1 1454110135 ITRIICDPRGVHFZ-UHFFFAOYSA-N 320.349 -0.122 30 20 DBED CN(CCNC(=O)c1cc(C#N)c[nH]1)C[C@H]1CCS(=O)(=O)C1 1480853644 YQVKZKJVJVEJBR-LLVKDONJSA-N 324.406 -0.017 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(Cc2ncnn2C(C)(C)C)C1 1500806232 LBRRQGJKVCWISV-LLVKDONJSA-N 320.397 -0.144 30 20 DBED Cc1noc(CNCC2(O)CCN(C(=O)[C@H](C)C#N)CC2)n1 1502858892 UUVKRCIJRIZGQF-SNVBAGLBSA-N 307.354 -0.019 30 20 DBED C#CCOCCN(C)C(=O)CNS(=O)(=O)c1cccnc1 1529436153 LUFIHPXVNKVHLM-UHFFFAOYSA-N 311.363 -0.532 30 20 DBED C#CCNC(=O)CN1CCC[C@H](NC(=O)CCn2ccnc2)C1 1566626157 CMCXDCMLRSXKOL-AWEZNQCLSA-N 317.393 -0.397 30 20 DBED C[C@](C#N)(CC(=O)O)C(=O)NCc1nc(O)c2c(n1)CCOC2 1573366195 ZKZQOZVUVSBONR-CQSZACIVSA-N 320.305 -0.124 30 20 DBED N#CCCn1ncc(C(=O)O)c1NC(=O)C[C@H]1CCNC1=O 1574241260 KHJXEFRADHILDE-MRVPVSSYSA-N 305.294 -0.040 30 20 DBED C[C@H](CCNC(=O)[C@H](C)C#N)NCC(=O)NCc1cnn[nH]1 1575529190 HUFZBMIQWYEVKB-NXEZZACHSA-N 307.358 -0.935 30 20 DBED CN(CCOCCNCC#N)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 1579229247 LURMNNJUBCXGLE-UHFFFAOYSA-N 318.341 -0.603 30 20 DBED C[S@@](=O)C1(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CCNCC1 1579354191 FCVSSSCMFCZBPB-WHEQGISXSA-N 324.450 -0.314 30 20 DBED C#CC[C@H](NC(=O)CCc1nc(-c2nc[nH]n2)no1)C(=O)O 1588405363 MGSVZFHXAZZATM-ZETCQYMHSA-N 304.266 -0.620 30 20 DBED C#CCN(CC(=O)O)c1nnc([C@@H]2CN3CCC[C@@H]3CO2)n1C 1588427211 QJZSWVCHHPNQIP-NEPJUHHUSA-N 319.365 -0.125 30 20 DBED C#CCNC(=O)CCN1C[C@@H](C(=O)O)C2(CC(C(=O)OC)C2)C1 1588430772 OKEQOGYPZOMWTJ-BGMSHATGSA-N 322.361 -0.288 30 20 DBED C=CCC[C@@H](CO)NC(=O)C1(C(=O)O)CCS(=O)(=O)CC1 1588457232 QXVSPPFXUKXKAB-JTQLQIEISA-N 319.379 -0.291 30 20 DBED C=CCOC[C@H](NC(=O)CCN1CCCS1(=O)=O)C(=O)O 1588853674 FFQNWTURXINHOZ-JTQLQIEISA-N 320.367 -0.816 30 20 DBED Cc1[nH]c(C#N)cc1C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)O 1594247561 LZJJATOVXDODRZ-SNVBAGLBSA-N 311.319 -0.481 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@]1(C(=O)O)CCOC1 1596231633 RGZKCOAKOUJMLM-CMPLNLGQSA-N 319.383 -0.206 30 20 DBED COCC#CC(=O)N1[C@@H](C(=O)NCCC(=O)O)CS[C@@H]1C 1599137859 DYRDWTCGUAAKPY-NXEZZACHSA-N 314.363 -0.483 30 20 DBED C#CCN(CC(=O)O)C(=O)NCCCN1CCC[C@@H](C(N)=O)C1 1602686111 QPXDXCUTBHYSGF-GFCCVEGCSA-N 324.381 -0.697 30 20 DBED C=CCN1CCC[C@@H](NC(=O)CN(C)S(=O)(=O)N(C)C)C1 1713061192 WCLDWUDCUYHKGH-GFCCVEGCSA-N 318.443 -0.509 30 20 DBED C#CCNC(=O)CN1CC[C@@H](N(CCC)C(=O)c2cnn[nH]2)C1 1753317026 GGXOXBNCHCDWJB-GFCCVEGCSA-N 318.381 -0.519 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC(NC(=O)C[C@H]2CCNC2=O)C1 1753378460 JJCFEBQESFLHGX-GHMZBOCLSA-N 308.382 -0.996 30 20 DBED C#CCNC(=O)[C@H](C)N(C)CCN(C)C(=O)CN1CC[C@H](C)C1 1753863379 VRDORJSXUWPVFW-GJZGRUSLSA-N 322.453 -0.144 30 20 DBED C#CCOCCC(=O)N[C@H]1CCC[C@@H]1CNCc1nnn(C)n1 1753884382 HRUUBKPMKQYJHT-OLZOCXBDSA-N 320.397 -0.376 30 20 DBED C=CCN1CC[C@@H](NC[C@H](O)CNC(=O)Cc2ccco2)C1=O 1753930497 ITLJQWPPUVQHTE-GXTWGEPZSA-N 321.377 -0.324 30 20 DBED C#CCNC(=O)[C@H](C)NC/C=C/CNC(=O)C1=COCCO1 1754093350 VSWCWYLLSQOAFF-ITKZLYELSA-N 307.350 -0.726 30 20 DBED C#CCNC(=O)CNC/C=C/CNC(=O)c1ccnc(OC)c1 1754139356 FAKILNFSMBELQE-SNAWJCMRSA-N 316.361 -0.285 30 20 DBED C#CCCNC[C@@]1(C)CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 1754705699 JDFRZOCUBPNPNT-WOSRLPQWSA-N 307.394 -0.129 30 20 DBED C#CCNC1(CNC(=O)c2nccnc2C(N)=O)CCOCC1 1754742364 CQKMHVNLSXQKOO-UHFFFAOYSA-N 317.349 -0.923 30 20 DBED C#Cc1cncc(C(=O)NCC2(O)CN(CC#CCOC)C2)c1 1754774712 XOZWHIHEDSGSSY-UHFFFAOYSA-N 313.357 -0.511 30 20 DBED C[C@@H](C(N)=O)N1CCC[C@@](CO)(NC(=O)C#CC(C)(C)C)C1 1754856458 LNCNNGMQXBVLPF-BLLLJJGKSA-N 309.410 -0.147 30 20 DBED CCCN1C[C@@H](C(=O)N2CCC[C@](CO)(NCC#N)C2)CC1=O 1755089295 MCWXSZOYMUYOJR-BBRMVZONSA-N 322.409 -0.288 30 20 DBED C#CCNC(=O)CN(C)[C@@H](C)CNC(=O)c1cn(C)nc1OC 1755311464 OUXLFGAIASCHHT-NSHDSACASA-N 321.381 -0.772 30 20 DBED C[C@H](NC(=O)C[C@@](C)(O)C1CC1)C1CN(CC(=O)NCC#N)C1 1755373432 JZFRYPNXCCGORO-MEDUHNTESA-N 322.409 -0.386 30 20 DBED C#CCN[C@@H](C)CN(C)C(=O)Cn1nc2n(c1=O)CCCC2 1755610136 KEZCFMWMERHMTG-LBPRGKRZSA-N 305.382 -0.549 30 20 DBED C=C(C)CN[C@H]1C[C@H](C)N(C(=O)CNS(=O)(=O)NC)C1 1755683813 CKMAOVMQNZJUNF-QWRGUYRKSA-N 304.416 -0.805 30 20 DBED Cc1cnc2c(C(=O)N(C)C[C@H](O)CNCC#N)cnn2c1 1755789921 XUJMDBJUAQTXHK-LLVKDONJSA-N 302.338 -0.416 30 20 DBED C=CCNC(=O)[C@@H](C)NC1CC(N(C)C(=O)Cc2nc[nH]n2)C1 1755863693 HXBGNPBURBADAU-VOMCLLRMSA-N 320.397 -0.383 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)[C@@H](C)CNC(=O)Cn1ccnc1 1756041851 KOBSRZFLPRLADP-STQMWFEESA-N 306.366 -0.116 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H](C)CN(C)C(=O)CCn1ccnn1 1756446469 IZADMTJRJFFDKD-OLZOCXBDSA-N 321.381 -0.330 30 20 DBED CCn1cc(C(=O)NC[C@@H](O)CN(C)C(=O)C#CC(C)C)nn1 1756663235 STQCZAHGMXVVQZ-GFCCVEGCSA-N 321.381 -0.494 30 20 DBED C=CCCC(=O)NC[C@H](O)CN(C)C(=O)c1cn(C)nc1OC 1756672225 RJXDOPSSDABQGW-NSHDSACASA-N 324.381 -0.056 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)[C@H](C)CC)CCO2 1783046156 CIFQECBHTYSFDF-INWMFGNUSA-N 308.378 -0.144 30 20 DBED C=CCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)NC(C)=O)C2)C1 1783181734 NJTIZHGZXMCIFB-WBMJQRKESA-N 323.393 -0.083 30 20 DBED C=CCC(=O)N1CC[C@@]2(C1)CN(C(=O)C1=NNC(=O)C1)CCO2 1783916632 XQUGJOCKNQVIEK-OAHLLOKOSA-N 320.349 -0.732 30 20 DBED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)Cc3cc(C)on3)C2)C1 1784366339 VCXGEMDBGLNSDU-MRXNPFEDSA-N 317.345 -0.011 30 20 DBED C#CCOc1cccc(NC(=O)C(=O)N[C@H]2CCN(C)C2=O)c1 265721976 SMHXHLGAEMOQHF-ZDUSSCGKSA-N 315.329 -0.016 30 20 DBED C[C@]1(C2CC2)NC(=O)N(CC(=O)N2CCN(CC#N)CC2)C1=O 266727450 UCRBQZFOZOGVKN-OAHLLOKOSA-N 319.365 -0.625 30 20 DBED C[C@@H](O)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 270866080 RYEWAJCAKPODGO-LLVKDONJSA-N 323.374 -0.228 30 20 DBED C=CCNC(=O)CNC(=O)Nc1ccc(S(C)(=O)=O)nc1 271945984 CRKZKICEUIUPIZ-UHFFFAOYSA-N 312.351 -0.091 30 20 DBED CCOC(=O)CO/N=C(/C(=O)NC(C)(C)CO)c1cc[nH]n1 278880895 YOLBYQIOUMRNMX-GZTJUZNOSA-N 312.326 -0.419 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@H](SC)C2)C1=O 295627605 WRTOZUPKNVXWSH-SECBINFHSA-N 311.363 -0.073 30 20 DBED N#Cc1ccc(NCC(=O)N2CCN3CCOC[C@H]3C2)nc1 329460611 SBFSRUQUSCXXCI-CYBMUJFWSA-N 301.350 -0.092 30 20 DBED C[C@@H](/C(O)=N/C1CC1)N1CCN(S(=O)(=O)C2COC2)CC1 330202711 ZQTXHXFWTVCIHR-JTQLQIEISA-N 317.411 -0.160 30 20 DBED COC(=O)[C@H]1CCCN(/C(O)=N/CCNS(C)(=O)=O)C1 330886033 MCRDDBNDDXLYOG-VIFPVBQESA-N 307.372 -0.665 30 20 DBED C[C@H](C(=O)N/C(O)=N/CC(F)(F)F)N1CCO[C@H](CO)C1 331128124 FPTXJMDYUCOTKS-SFYZADRCSA-N 313.276 -0.340 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N[C@@H]2c3ccccc3C[C@@H]2O)CCO1 336882594 CAUOLGFNCRWSLK-KWCYVHTRSA-N 323.374 -0.297 30 20 DBED CN(C[C@@H]1CCCOC1)S(=O)(=O)N1CCO[C@H](C#N)C1 337096095 QWUYGXQHVZCEHJ-NWDGAFQWSA-N 303.384 -0.186 30 20 DBED CN(CCC#N)S(=O)(=O)N1CCC[C@H]1CN1CCOCC1 345236113 BSLJIZVKCBYXAK-ZDUSSCGKSA-N 316.427 -0.127 30 20 DBED COC[C@H]1CN(C(=O)NCCn2cnc(C#N)n2)C[C@H](C)O1 347636957 QZAZULXMQQITKT-WDEREUQCSA-N 308.342 -0.405 30 20 DBED COC[C@H](CO)NS(=O)(=O)c1ccc(C#N)cc1OC 352515750 SNHIFPZBMNFJBL-JTQLQIEISA-N 300.336 -0.148 30 20 DBED N#CC1(C(=O)N[C@H]2CC(=O)N(CCN3CCOCC3)C2)CCC1 371018299 LIYNWFADKPNQOQ-ZDUSSCGKSA-N 320.393 -0.270 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N[C@@]1(C)CCS(=O)(=O)C1 407951915 DOQPRBFYRAFDFO-ZJUUUORDSA-N 309.413 -0.511 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2C[C@H](C)N[C@H](C)C2)C1=O 423490269 HQCPCBIJZBAFHJ-FRRDWIJNSA-N 322.409 -0.560 30 20 DBED CCNC(=O)c1ccc(=NCCCc2[nH]nc(N)c2C#N)[nH]n1 447650892 VSQODOMELONXAU-UHFFFAOYSA-N 314.353 -0.130 30 20 DBED C#CCNC(=O)C1CCN(S(=O)(=O)CCCOC)CC1 491555075 OMIAOXYCOCASAT-UHFFFAOYSA-N 302.396 -0.186 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2ccc(C=O)n2C)CC1 491809589 YPADOEXUEBQGRK-UHFFFAOYSA-N 316.361 -0.655 30 20 DBED CN(CCC#N)C[C@H](O)CNC[C@@H]1CC[C@H](C(=O)N(C)C)O1 515414348 IGCWDHIEAGLCSX-HZSPNIEDSA-N 312.414 -0.582 30 20 DBED C=CCn1c(C2CC2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 558672974 RUNGYMGAXCWIAZ-NSHDSACASA-N 316.365 -0.512 30 20 DBED CN(CCC#N)C[C@H](O)CNCCC(C)(C)S(C)(=O)=O 563008065 RIEORRRUEPMLPO-GFCCVEGCSA-N 305.444 -0.004 30 20 DBED N#Cc1cccc(NC(=O)NC[C@]2(O)CCS(=O)(=O)C2)n1 592262942 QUFBBPRCGYWKSR-GFCCVEGCSA-N 310.335 -0.376 30 20 DBED COC(=O)[C@@H]1CNCCCN1S(=O)(=O)c1cccnc1C#N 592389633 ZOIFILMHBGUADM-NSHDSACASA-N 324.362 -0.521 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCCCN2C)CC1 599389662 KAZURBRRJKDCJQ-CQSZACIVSA-N 308.426 -0.083 30 20 DBED CNS(=O)(=O)CCCNC(=O)COc1ccccc1C#N 600664766 DAMJVIMPLRJDQE-UHFFFAOYSA-N 311.363 -0.007 30 20 DBED Cc1nnc(N2CCN(S(=O)(=O)CCCC#N)CC2)n1C 601455864 UFNROSCNARAMNZ-UHFFFAOYSA-N 312.399 -0.121 30 20 DBED COCCN(CCC#N)S(=O)(=O)N(CCC#N)CCOC 619709374 YHZMNQGHVAVWJD-UHFFFAOYSA-N 318.399 -0.045 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@H]3COC[C@H]3C2)C1=O 634777894 DJZWAMCJGCHPAH-AOOOYVTPSA-N 307.306 -0.932 30 20 DBED COC(=O)CCn1nc(C)c(C=NN2CC(=O)NC2=O)c1C 727061806 OIRLRFPIAUXJKD-UHFFFAOYSA-N 307.310 -0.051 30 20 DBED C#CCOC(=O)CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 744591476 SSOUWIUPVDLRGZ-UHFFFAOYSA-N 313.291 -0.170 30 20 DBED C#CCNC(=S)Nc1ccn(CC(=O)N2CCOCC2)n1 758235446 SQABUYRMFHYWCA-UHFFFAOYSA-N 307.379 -0.339 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(CN(C)CCOCC)c1=O 771635932 KVFNJDVSOROMRW-UHFFFAOYSA-N 324.381 -0.531 30 20 DBED C#C[C@@H](NC(=O)Cn1[nH]cc2c(=O)ncnc1-2)[C@H]1CCCO1 775329755 NEKDPRNKNCIRDV-GHMZBOCLSA-N 301.306 -0.632 30 20 DBED C=CCS(=O)(=O)CCNC(=O)NCCN1CCCOCC1 782996577 LWBQBEGGNIAZKO-UHFFFAOYSA-N 319.427 -0.391 30 20 DBED C#CCOCCNS(=O)(=O)N1CCC[C@@H](C(=O)OCC)C1 784451100 CITKOTKCWHGFKM-GFCCVEGCSA-N 318.395 -0.254 30 20 DBED Cn1c(=O)c2nc(COC(=O)C3(C#N)CCC3)[nH]c2n(C)c1=O 785335482 ZGEVNQYEIRGDPY-UHFFFAOYSA-N 317.305 -0.303 30 20 DBED N#Cc1cccnc1NCCNC(=O)C(=O)NCc1ccon1 787787957 SDHFABJPIHESJD-UHFFFAOYSA-N 314.305 -0.214 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)C(F)F)c1=O 799876825 BWWLLQGBYKAKCO-UHFFFAOYSA-N 301.249 -0.622 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)COCC(=O)OC 803804658 BOPHFFSBSISTIR-MRVPVSSYSA-N 302.283 -0.881 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@H](C)CO[C@@H]1CCOC1)[C@@H]1CCCO1 808279797 WHXNFMXUGRYHMS-MQYQWHSLSA-N 324.377 -0.406 30 20 DBED CC1CC(=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C1 814883753 ZJBYZIQJHZPUMY-UHFFFAOYSA-N 300.340 -0.852 30 20 DBED C[C@](C#N)(CC(=O)O)C(=O)NCC1CCS(=O)(=O)CC1 819835199 SUDCCFJZUZEFMJ-GFCCVEGCSA-N 302.352 -0.068 30 20 DBED Cc1onc(CC(=O)N2CCOC[C@@H]2C#N)c1-c1nn[nH]n1 826344857 USXPOEVJNUOFQT-QMMMGPOBSA-N 303.282 -0.543 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCOC[C@@H]1CC(=O)O 844790688 ATSHROIZTCNBID-QWRGUYRKSA-N 319.383 -0.112 30 20 DBED N#Cc1cc(S(N)(=O)=O)ccc1N1CC(N2CC[C@@H](O)C2)C1 845721447 DGGOBZCXHUHXQR-GFCCVEGCSA-N 322.390 -0.539 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)Nc1ncncc1OC 850726463 MJPXOGBHYLRVDA-UHFFFAOYSA-N 306.322 -0.078 30 20 DBED C#C[C@H](NC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1OC)[C@H]1CCCO1 852259134 DSQZEILXZXBGCM-IRCOFANPSA-N 316.379 -0.722 30 20 DBED C#CC[C@H](CO)NC(=O)[C@H](NS(=O)(=O)C1CC1)C(C)C 854542408 QQXFBNGCKMRUGU-ZYHUDNBSSA-N 302.396 -0.407 30 20 DBED C#CC[C@@H](CO)NC(=O)[C@@H](C)N1C(=O)NC2(CCCC2)C1=O 854547618 XAWFPSLUCKLMPI-MNOVXSKESA-N 307.350 -0.260 30 20 DBED C#CC[C@@H](NC(=O)c1sccc1S(N)(=O)=O)C(=O)OC 854910005 MEBXKGCOFDGKJJ-SSDOTTSWSA-N 316.360 -0.310 30 20 DBED C#CCN(CC(=O)NC[C@@H](O)C(=O)NC)C(=O)OC(C)(C)C 857190698 AYFBKFZZZDSJDN-SNVBAGLBSA-N 313.354 -0.920 30 20 DBED C#CC[C@@H](CCOC)NC(=O)N1CC[C@@H]2OCC(=O)N[C@H]2C1 859018233 QFLQHOZNKKYVDU-AVGNSLFASA-N 309.366 -0.286 30 20 DBED C#CCN1CCN(C(=O)Cn2ncc(C(=O)OCC)n2)CC1 882210713 MLXRCGNUKVXNNH-UHFFFAOYSA-N 305.338 -0.768 30 20 DBED C#CC1(O)CN(C(=O)c2ccc(OC)c(S(=O)(=O)NC)c2)C1 890519381 LJQPKNHCGRRXBM-UHFFFAOYSA-N 324.358 -0.577 30 20 DBED C#C[C@@H](NC(=O)C(=O)N1C[C@H]2CC[C@@H](O)[C@H]2C1)[C@@H]1CCCO1 898004097 XVZIJIVFYLVJRD-ITGHMWBKSA-N 306.362 -0.487 30 20 DBED C#CC[C@@H](NC(=O)CCN1C(=O)C(C)=C(C)C1=O)C(=O)OC 909889390 KEGVHSJRUXDGEP-LLVKDONJSA-N 306.318 -0.237 30 20 DBED CN1CCC(N2CC[C@H](N(C)C(=O)NCC#CCO)C2)CC1 923772144 PKWHBYSPXMSKES-HNNXBMFYSA-N 308.426 -0.208 30 20 DBED C#CC1(O)CN(CC(=O)NCCCN2CCCCCC2=O)C1 934444663 NRTJKYPCEYCNBH-UHFFFAOYSA-N 307.394 -0.425 30 20 DBED CN(C(=O)C[C@H]1CCNC1=O)[C@@H]1CCN(C(=O)C#CC2CC2)C1 937352920 JUVRAMLXTLXPOV-ZIAGYGMSSA-N 317.389 -0.015 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)c2ccc(C(N)=O)o2)C1 938353283 BAUPVQSBMGNILD-IUCAKERBSA-N 304.306 -0.131 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@H](NC(=O)[C@H]3CCNC3=O)C2)c1 938406888 MYLPVPVOIKDVIQ-QWRGUYRKSA-N 315.333 -0.647 30 20 DBED C[C@@]1(C(=O)N[C@H]2CCN(C(=O)C#CC3CC3)C2)CCC(=O)N1 938666654 CPZWUXNROIBONU-LRDDRELGSA-N 303.362 -0.214 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)C(N)=O)C[C@H]2C)nc1 945485228 RIPOQQPFWGIUSN-PWSUYJOCSA-N 314.345 -0.485 30 20 DBED C#CCN1CCC[C@H](N(C)C(=O)CN2CCN(C)C(=O)C2)CC1 948562293 RMCYXNODJBAGDN-HNNXBMFYSA-N 320.437 -0.294 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]1CNC(=O)c1ccc(=O)n(C)c1 951005719 SHCQPGKRUNTMPA-JQWIXIFHSA-N 302.334 -0.124 30 20 DBED C[C@@H](C#N)C(=O)N1CCC([C@@H]2CCCN2C(=O)C(N)=O)CC1 953487807 UAFPPLUFRSFSLG-JQWIXIFHSA-N 306.366 -0.139 30 20 DBED CC(C)N1CCO[C@H](C(=O)N(C)C2CN(C(=O)[C@H](C)C#N)C2)C1 955078845 OHJULTSAKUBNOG-OCCSQVGLSA-N 322.409 -0.076 30 20 DBED N#CCN1C[C@H](CNC(=O)c2cnn3ccncc23)[C@@H](O)C1 958145386 KBTIJTMPTGWVML-GWCFXTLKSA-N 300.322 -0.725 30 20 DBED CC#CCN1C[C@@H](O)[C@H](CNC(=O)c2cc(=O)c(OC)c[nH]2)C1 958261950 DLXDTCVEVQRKMI-BXUZGUMPSA-N 319.361 -0.571 30 20 DBED CC(C)(O)CC(=O)N1C[C@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 962124444 XAGTZKFXZNCGAM-NEPJUHHUSA-N 320.349 -0.651 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)c2ncccc2O)C1 962434289 GOTTVWIQFKXPSB-KKZNHRDASA-N 304.306 -0.752 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)c2cc3n(n2)CCC3)C1 966973217 LBDZTZKFBOLCJB-BIMULSAOSA-N 317.349 -0.710 30 20 DBED NC(=O)CC(=O)N1C[C@H]2CCN(C(=O)C#CC3CC3)CC[C@H]2C1 967346176 PGWRDZUYPRYGAP-OKILXGFUSA-N 317.389 -0.028 30 20 DBED C#CCCN1CC[C@H](C)[C@H](NC(=O)c2cn(CC(N)=O)nn2)C1 968682904 VOQDZWMAVNEIRY-NWDGAFQWSA-N 318.381 -0.773 30 20 DBED C[C@H](NC(=O)[C@H]1CCc2nnc(O)n2C1)C1CN(CC#N)C1 969991759 HCJVWQOGHTUNNU-UWVGGRQHSA-N 304.354 -0.494 30 20 DBED COCc1nc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)co1 970241535 HRISLIOAPSABNF-NGZCFLSTSA-N 322.321 -0.718 30 20 DBED C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 970690606 BXVJERGRMYXPPM-PBOSXPJTSA-N 306.362 -0.487 30 20 DBED COc1c(O)nc(O)nc1C(=O)N[C@H](C)C1CN(CC#N)C1 970734653 GWWGMBWKFPBKBU-SSDOTTSWSA-N 307.310 -0.530 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)[C@H]3CCN(C(C)=O)C3)C2)C1 972655796 PFZFEYJOJSVOPV-DOTOQJQBSA-N 319.405 -0.209 30 20 DBED N#Cc1cc(C(=O)NC2C[C@@H]3CC[C@H](C2)N3C(=O)C(N)=O)c[nH]1 973599643 QRDWRPZSDDSBES-CLYYMRHHSA-N 315.333 -0.377 30 20 DBED O=C1NCC[C@@H]1C(=O)N1C[C@H]2CCN(C(=O)C#CC3CC3)C[C@H]21 974725816 IDWUHGJPLFGYCC-HZSPNIEDSA-N 315.373 -0.405 30 20 DBED NC(=O)C(=O)N1C[C@H]2[C@@H]3CC[C@@H](CN3C(=O)C#CC3CC3)[C@H]2C1 984278726 NYFVRFDRXRUKRK-DGAVXFQQSA-N 315.373 -0.420 30 20 DBED C=CCN[C@@H]1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)[C@H]1C 986330686 HYFIIJCVMAUONQ-NWDGAFQWSA-N 306.366 -0.688 30 20 DBED C[C@@H]1C[C@H](NCC#N)CN1C(=O)Cc1ccc(C(N)=O)nc1 989034758 GNJQEQHLASFING-PWSUYJOCSA-N 301.350 -0.174 30 20 DBED C=CCCn1cc(C(=O)N2CC[C@H](NC(C)=O)[C@H](O)C2)nn1 991176337 WAKWNHKNCVENNH-WCQYABFASA-N 307.354 -0.434 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H]2CCN(C(=O)C(F)F)C[C@@H]2O)c1 991377928 DTUWBOOVSHZVLK-WPRPVWTQSA-N 312.276 -0.157 30 20 DBED C#CCN[C@@H]1CN(C(=O)CN2C(=O)NC(=O)C2(C)C)CC1(C)C 996487247 KEWYSMZAXPQDHU-LLVKDONJSA-N 320.393 -0.223 30 20 DBED CC(=O)N1CC[C@@H](C(=O)NC2CN(C(=O)C#CC3CC3)C2)C1 997663684 ICOBLQGLYVZSAP-CYBMUJFWSA-N 303.362 -0.405 30 20 DBED C#CCN1CC[C@@H](n2cc(CNC(=O)c3cnn[nH]3)nn2)C1 1000003224 ODRHOVRQHXKVBD-LLVKDONJSA-N 300.326 -0.794 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C(N)=O 1003082436 XIUMHKSMEVPBQD-FHUSYTEZSA-N 321.377 -0.299 30 20 DBED C[C@@H](C(=O)N1CCN(C(=O)C#CC2CC2)CC1)[C@@H]1CCC(=O)N1 1011110230 QNURJDLBIQEZIB-OCCSQVGLSA-N 317.389 -0.015 30 20 DBED CC#CCN1CC[C@H](NC(=O)Cn2nc3n(c2=O)CCCC3)C1 1015957057 MYJWBMQDRHWOLT-ZDUSSCGKSA-N 317.393 -0.405 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1C[C@@H]2CC[C@H](C1)N2CC(N)=O 1021285896 WCPVEHZPGFVQGN-DKUMPPAJSA-N 318.421 -0.319 30 20 DBED N#CCN1CC[C@H]2[C@H](CCCN2C(=O)c2nnc(O)nc2O)C1 1021623437 OGONMXRPLQFWRS-ZJUUUORDSA-N 318.337 -0.267 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]2CN(C(=O)Cn3cnnc3O)C[C@H]21 1022565423 WFVXZWIYYPENRZ-OUAUKWLOSA-N 318.337 -0.797 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2C[C@@H](NCc3nnn(C)n3)C2)cn1 1022992861 YHIJGBXWAHBCJZ-BETUJISGSA-N 311.349 -0.363 30 20 DBED Cc1cncn1CC(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1O 1024700088 XRIKYFZYZNODCB-MVWJERBFSA-N 305.338 -0.961 30 20 DBED N#CCN[C@@H]1CC[C@@H]2CN(C(=O)CCn3cnccc3=O)C[C@H]21 1026389843 IQKLXXMENVXUHC-MGPQQGTHSA-N 315.377 -0.016 30 20 DBED C=CCn1cc(C(=O)N2CCC[C@@H](N(C)[C@H](C)C(N)=O)C2)nn1 1027606570 IDXPYOGSGQVCMU-VXGBXAGGSA-N 320.397 -0.126 30 20 DBED CN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CCN(Cc2nnnn2C)C1 1033022912 ROUGKLLPYWECEJ-LLVKDONJSA-N 314.353 -0.244 30 20 DBED C=C(C)CN1CC[C@@H](N(C)C(=O)Cn2ccc(=O)n(C)c2=O)C1 1033126980 RGRYEFKRQHQARI-CYBMUJFWSA-N 320.393 -0.344 30 20 DBED CC[C@@H](C(N)=O)N1CCO[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1 1035332060 UBJBMCFEJNMROF-YPMHNXCESA-N 319.365 -0.419 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)[C@H]2CCCN(C(N)=O)C2)C1 1035434976 KIPOTEKNUVVNFA-STQMWFEESA-N 308.382 -0.773 30 20 DBED Cn1nnc2c1C[C@@H](C(=O)NC[C@H]1CN(CC#N)CCO1)CC2 1035492497 XVVXGUYJRVFPLS-RYUDHWBXSA-N 318.381 -0.739 30 20 DBED C=CCN1CC[C@@H](N2CC[C@@H]2CNC(=O)[C@@H]2[C@H]3COC[C@H]32)C1=O 1038607375 LONJSGMXVJOSGA-QMIVOQANSA-N 319.405 -0.144 30 20 DBED Cn1c(C(=O)NC[C@@H]2CCN2CC#N)c2n(c1=O)CCCC2 1038713613 XYUJPMZJOMOWKM-NSHDSACASA-N 303.366 -0.149 30 20 DBED Cc1nocc1C(=O)N1CC[C@@](O)(CNC(=O)[C@@H](C)C#N)C1 1040760237 MURRQQYLDOAXAS-LKFCYVNXSA-N 306.322 -0.164 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)c2cnsn2)C1 1040762391 IFANUCIYCMDMCC-UFBFGSQYSA-N 309.351 -0.609 30 20 DBED CN1CCC[C@H]1C(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@H]1O 1040943556 CTBMCRIJXBDXIK-HZSPNIEDSA-N 315.377 -0.287 30 20 DBED CCOCC(=O)NCC1(O)CN(C(=O)c2cc(C#N)c[nH]2)C1 1041304485 XPGCJRWNKYEUGB-UHFFFAOYSA-N 306.322 -0.774 30 20 DBED Cc1cc(C(=O)NCC2(O)CN(C(=O)C#CC(C)C)C2)nn1C 1041750385 KWSRJIILKUGFKF-UHFFFAOYSA-N 318.377 -0.309 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)COCCOC)C1 1041952861 ZUAIVZBHZGSAPA-UHFFFAOYSA-N 300.355 -0.695 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)c2cscn2)C1 1042022725 FWVITEQOERLXTP-SNVBAGLBSA-N 323.374 -0.516 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2coc(C)c2)C1 1042771841 LNWCBCDIBDABJO-LBPRGKRZSA-N 320.345 -0.071 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)Cc2ccnn2C)C1 1042814731 OOMFCQWNBCCETD-UHFFFAOYSA-N 318.377 -0.689 30 20 DBED C[C@](O)(CC(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1)C1CC1 1042959018 SVQJIAAKNKMXOD-INIZCTEOSA-N 320.389 -0.360 30 20 DBED O=C(C#CC1CC1)NCC1(O)CN(C(=O)[C@H]2C[C@@H]2C(F)F)C1 1042959051 URRPZGCABFXGKH-QWRGUYRKSA-N 312.316 -0.010 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)c2cc[nH]c2C)C1 1043040281 PZHGGMDLVXYWSN-GFCCVEGCSA-N 319.361 -0.335 30 20 DBED C[C@@H]1CN(C(=O)c2nccnc2N)C[C@H]1N=c1cc[nH]c(C#N)n1 1043109206 NMXBAWPKHDFQBL-NXEZZACHSA-N 324.348 -0.285 30 20 DBED C=C[C@@H](CC)CC(=O)NCC1(O)CN(C(=O)c2cnon2)C1 1045069315 SIYOAFGMJWATDP-JTQLQIEISA-N 308.338 -0.025 30 20 DBED C#CCN1CC[C@@H](N2CCN(C(=O)c3cn(CC)nn3)CC2)C1 1046074717 FJSZRMMAYWGHLS-CQSZACIVSA-N 316.409 -0.237 30 20 DBED Cn1ccc(C(=O)N2CCN([C@@H]3CCN(CC#N)C3)CC2)n1 1046084077 IVVSIHSBOLJRLF-CYBMUJFWSA-N 302.382 -0.224 30 20 DBED C=CCn1cc(C(=O)N[C@]2(C)CCN([C@@H]3CCNC3=O)C2)nn1 1046681641 QXGOXIOYKRLTQK-IUODEOHRSA-N 318.381 -0.453 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCCC(=O)N2)C1 1047525441 UCYJUXYNCQKQNQ-IHRRRGAJSA-N 307.394 -0.428 30 20 DBED C=C(C)CN1C[C@H](O)[C@@H](N(C)C(=O)CN2CCC(=O)NC2=O)C1 1047588108 HNDNUCMMTFEMLZ-RYUDHWBXSA-N 324.381 -0.992 30 20 DBED C=CCCC(=O)N(C)[C@H]1CN(C(=O)C[C@@H]2CCNC2=O)C[C@@H]1O 1048528321 ZQFPYTXQNBRRAD-AVGNSLFASA-N 323.393 -0.491 30 20 DBED C#CCN1CCN([C@H]2CCN(C(=O)CCn3cncn3)C2)CC1 1051980101 AIBVEZQWPLRYOI-HNNXBMFYSA-N 316.409 -0.480 30 20 DBED C#CCN1CCN([C@H]2CCN(C(=O)[C@@H]3CCC(=O)N3C)C2)CC1 1052060405 CVWCGPOHPAPUNB-GJZGRUSLSA-N 318.421 -0.541 30 20 DBED C=CCOCC(=O)N1C[C@@H](C)[C@@H](CNC(=O)CNC(N)=O)C1 1052212971 AMOWKTQZDYHJRA-MNOVXSKESA-N 312.370 -0.932 30 20 DBED C=CCOCC(=O)N1C[C@H](C)[C@H](CNC(=O)Cc2nc[nH]n2)C1 1052220506 KGNBHNCSYPRNJI-NWDGAFQWSA-N 321.381 -0.240 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1CNC(=O)Cc1nc[nH]n1 1052554380 OYEALPVIDKVSEY-YPMHNXCESA-N 315.377 -0.029 30 20 DBED CNC(=O)NCC(=O)NC[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1C 1052555262 XGUFPUUJHBIOJB-WCQYABFASA-N 320.393 -0.461 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)C[C@H]1CCCC(=O)N1)CCO2 1053333955 LNSSDUFNSZMKNU-CQSZACIVSA-N 319.405 -0.018 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)[C@@H]1CCC(=O)N1C)CCO2 1053380827 LJPQTQVCNKDYBY-ZDUSSCGKSA-N 305.378 -0.456 30 20 DBED C=CCN1CC2(CC[C@@H](CNC(=O)[C@H]3CN(C)CCO3)O2)C1 1053584957 AJCUIWQMJDNOPH-UONOGXRCSA-N 309.410 -0.147 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)[C@H]3CC(=O)N(C)C3)CO2)C1 1053822945 ZHJZSKHJKJIGJY-STQMWFEESA-N 305.378 -0.553 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)[C@@H]3CCC(=O)N3C(C)C)CO2)C1 1053903932 AXDMOQIWHAKBTI-KGLIPLIRSA-N 319.405 -0.022 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)[C@H](C)N3CCOCC3)CO2)C1 1054025650 DSMCCOUTYRSVCO-LSDHHAIUSA-N 321.421 -0.310 30 20 DBED C#CCN[C@@H]1CN(C(=O)C2CC3(C2)CS(=O)(=O)C3)C[C@@H]1C 1054797409 GLINUSPGQZNMSL-WCQYABFASA-N 310.419 -0.119 30 20 DBED Cc1ccc(C#N)c(N2CCN(C(=O)CS(C)(=O)=O)CC2)n1 1055733953 IRQFBQNABGQFHF-UHFFFAOYSA-N 322.390 -0.045 30 20 DBED C=CCCC(=O)N[C@@]1(CO)CCCN(C(=O)Cn2ncnn2)C1 1055824566 WUXOHXBOEFEJTA-AWEZNQCLSA-N 322.369 -0.891 30 20 DBED Cn1ccc(CC(=O)N[C@H]2[C@@H]3CN(c4ccnc(C#N)n4)C[C@@H]32)n1 1056201158 AHGBJOZNRXFWDM-ATCWAGBWSA-N 323.360 -0.125 30 20 DBED CC(C)[C@@H](O)C(=O)NCCN(CCO)C(=O)c1cc(C#N)c[nH]1 1057291906 UQARESIRMZSHDJ-CYBMUJFWSA-N 322.365 -0.546 30 20 DBED C=C[C@](C)(O)CC(=O)N(CCO)CCNC(=O)c1cnccn1 1057450385 POQNPOXXVGCBKQ-HNNXBMFYSA-N 322.365 -0.646 30 20 DBED O=C(C[C@H]1CCCO1)NCCN(CCO)C(=O)C#CC1CC1 1057531034 CPDXQNUTMGFUAP-CQSZACIVSA-N 308.378 -0.094 30 20 DBED N#Cc1cncc(N[C@H]2CCCN(C(=O)[C@@H]3CNC(=O)N3)C2)n1 1057748417 KDIHMNKUCIGSNQ-ONGXEEELSA-N 315.337 -0.567 30 20 DBED C=CC(C)(C)C(=O)N(CCO)CCNC(=O)CC(=O)N(C)C 1058306201 ZDWZBCFCWMYCNL-UHFFFAOYSA-N 313.398 -0.386 30 20 DBED N#Cc1cnccc1N1CC[C@H](NC(=O)[C@@H]2COC(=O)N2)C1 1058350207 FSUXSKOXBUAKPK-QWRGUYRKSA-N 301.306 -0.243 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@@H](CCNC(=O)CC(=O)NC)C1 1059646924 ZNWBNXIXQYSCBQ-CHWSQXEVSA-N 323.393 -0.484 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1COCCN1C(=O)CCNC(N)=O 1061568267 FGIKAANMWOOHSQ-GFCCVEGCSA-N 324.381 -0.952 30 20 DBED CNC(=O)CCCC(=O)N1CCOC[C@H]1CNC(=O)[C@@H](C)C#N 1061848116 OVTNJBUYXJAUTO-NWDGAFQWSA-N 324.381 -0.594 30 20 DBED CN(C[C@H]1CCN(C(=O)CC(N)=O)C1)c1nccnc1C#N 1062101601 XWMMSOYJBXTCLM-SNVBAGLBSA-N 302.338 -0.492 30 20 DBED N#Cc1nccc(N2CC[C@@H]3CN(C(=O)C(N)=O)CC[C@@H]32)n1 1064033654 OVZNSERDLFQVIS-ZJUUUORDSA-N 300.322 -0.739 30 20 DBED N#Cc1nccnc1NC[C@@H]1CCCC[C@@H]1NC(=O)C(N)=O 1064189230 PNSWVEANNWNOEM-UWVGGRQHSA-N 302.338 -0.080 30 20 DBED C=CCOCC(=O)N1CCO[C@@H](CNC(=O)[C@@H](CC)OC)C1 1064977704 WYSLYMDZOPTPAD-QWHCGFSZSA-N 314.382 -0.042 30 20 DBED C#CCCCCCC(=O)NC[C@H]1CN(C(=O)CC(N)=O)CCO1 1065001307 PTNQXSCALVZNEF-ZDUSSCGKSA-N 323.393 -0.211 30 20 DBED C=CC(C)(C)C(=O)NC[C@@H]1CN(C(=O)Cn2ncnn2)CCO1 1065182438 JCRNBICSAHLOOW-LLVKDONJSA-N 322.369 -0.771 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC[C@H](NC(=O)CC(N)=O)CC1 1066015371 SDEMXPWXVNSZPF-RYUDHWBXSA-N 309.366 -0.603 30 20 DBED C[C@H]1CN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C[C@H]1N=c1cc[nH]c(C#N)n1 1067179516 YGPMEMDDEVZODM-HHHUMZEGSA-N 313.361 -0.079 30 20 DBED C[C@H]1CN(C(=O)Cc2cnc[nH]2)C[C@@H]1N=c1cc[nH]c(C#N)n1 1067209013 YVJDCIQOUYQMPZ-JQWIXIFHSA-N 311.349 -0.005 30 20 DBED N#Cc1nccnc1N1C[C@H]2C(CNC(=O)c3cnn[nH]3)[C@@H]2C1 1068209797 MDGUPMRJKPPGSU-UWVGGRQHSA-N 310.321 -0.421 30 20 DBED C=CCCC(=O)N[C@@H]1COC2(C1)CN(C(=O)Cn1ncnn1)C2 1068751736 CCQKBVTYVPJURV-NSHDSACASA-N 320.353 -0.875 30 20 DBED N#Cc1nccnc1N1CC[C@]2(NC(=O)C(N)=O)CCC[C@@H]12 1069282631 PBYNQFRQNDEHMG-QMTHXVAHSA-N 300.322 -0.549 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)c2cnnn2C)CCOCC1 1070096975 WMCWTXVWZLGLQH-JTQLQIEISA-N 320.353 -0.630 30 20 DBED CO[C@@H](C)C(=O)N1C[C@@H](c2n[nH]c(C)n2)C2(CN(CC#N)C2)C1 1070441650 ZWBXEVPPTAAFQA-JQWIXIFHSA-N 318.381 -0.101 30 20 DBED N#CCN1C[C@H]2C[C@@H]3CN(C(=O)c4cncnc4O)C[C@@]3(C1)O2 1070815212 XEEVNHLJCHOZRR-UEKVPHQBSA-N 315.333 -0.379 30 20 DBED CC#CCN1C[C@H]2C[C@@H]3CN(C(=O)c4nnn(C)n4)C[C@@]3(C1)O2 1070840226 STYQLQBNLBMSBZ-LALPHHSUSA-N 316.365 -0.851 30 20 DBED C#CCCCCC(=O)N[C@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1C 1071556680 LKWWQWDTESQIIW-STQMWFEESA-N 318.381 -0.170 30 20 DBED C=CCCN1CCO[C@H]2CCN(C(=O)Cn3cnnc3O)C[C@H]21 1074219348 OIRLFQDEQRGPMM-OLZOCXBDSA-N 321.381 -0.139 30 20 DBED C=CCCN1CCO[C@@H]2CCN(C(=O)CCn3cnnn3)C[C@H]21 1074368109 ABIUIIUXZBVKAD-ZIAGYGMSSA-N 320.397 -0.059 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]2CN(Cc3nc(=O)n(C)[nH]3)C[C@H]21 1075621174 QQFUDMKRWCUCHH-GARJFASQSA-N 304.354 -0.699 30 20 DBED C[C@@H](CCNC(=O)CCNC(N)=O)NC(=O)c1ccc(C#N)[nH]1 1076450332 VWQIQHOAEWASQG-VIFPVBQESA-N 320.353 -0.431 30 20 DBED C#CCN1C[C@@H]2CCN(C(=O)[C@H]3CN(C(C)=O)CCO3)[C@@H]2C1 1076517683 RPLCZPFUCCZZDX-RRFJBIMHSA-N 305.378 -0.600 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)c2cnc(N(C)C)cn2)C1 1076995558 GPXPLJUSQPAVCC-CHWSQXEVSA-N 303.366 -0.659 30 20 DBED CC(=O)Nc1nc(C(=O)N[C@@H]2CN(CC#N)C[C@H]2O)cs1 1077291549 MPYZUPMVWHEBDK-PSASIEDQSA-N 309.351 -0.600 30 20 DBED C#CCCCC(=O)N[C@@H](C)CCNC(=O)[C@@H]1CN(C)C(=O)N1 1077735422 YCQDKSKEFQOSIX-RYUDHWBXSA-N 308.382 -0.176 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCCN(C)C2=O)C1 1077993343 NEKRDSBIFJMHHH-MGPQQGTHSA-N 307.394 -0.571 30 20 DBED C#CCNC(=O)CC(=O)N(CC)C1CN(C(=O)[C@H](C)OC)C1 1079644527 INUISSSVRQZXCJ-NSHDSACASA-N 309.366 -0.780 30 20 DBED C#CCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)c2ncn(C)n2)C1 1079775412 XWYHYIGZYIKBNP-NSHDSACASA-N 319.365 -0.474 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)[C@@H]2CCC(=O)N2)C1 1080182413 MBDNYCSZMBCMGQ-AAEUAGOBSA-N 323.393 -0.085 30 20 DBED CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)[C@H]2CCN(C)C2=O)C1 1080421591 KNTYQRKUKDPFRV-PWSUYJOCSA-N 306.366 -0.316 30 20 DBED C=CCOCC(=O)NC1(CO)CCN(C(=O)c2ccon2)CC1 1080773243 LUZRZGPPBMKAKD-UHFFFAOYSA-N 323.349 -0.040 30 20 DBED CC(C)OCC(=O)NC[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 1081321628 PBLVGKXPQIIDLR-KGLIPLIRSA-N 308.378 -0.240 30 20 DBED C=CC(C)(C)CC(=O)NC[C@H]1CN(C(=O)c2cnn[nH]2)C[C@@H]1O 1081514204 PSNPMSJIIVTYSC-JQWIXIFHSA-N 321.381 -0.044 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](CNC(=O)Cn2nccn2)C1 1081520537 REYHACIOGYONIG-VXGBXAGGSA-N 321.381 -0.574 30 20 DBED C=CC(C)(C)C(=O)NC[C@H]1CN(C(=O)CC(=O)NC)C[C@H]1O 1081640668 PIAYDAJTKMAYDM-WDEREUQCSA-N 311.382 -0.730 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CCc1cn(C)nn1 1083293058 LBJOASSTKWNELI-LSDHHAIUSA-N 317.393 -0.317 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCc3nncn3CC2)C1 1083652806 HKFGKGVNOUKEFF-MJBXVCDLSA-N 317.393 -0.585 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)c2c(OC)ncnc2OC)C1 1084118690 JLVIYDHVJJYFSU-MNOVXSKESA-N 320.349 -0.708 30 20 DBED CC#CCN1CC[C@@H]2CN(C(=O)c3nnc(O)nc3O)[C@@H]2C1 1084487930 FCYLWRSMWHOHAJ-NXEZZACHSA-N 303.322 -0.548 30 20 DBED CC[C@@H]1[C@@H](NC(=O)Cn2ccc(O)nc2=O)CCN1CC#N 1087644901 XDGVCDKPDUJUEM-WDEREUQCSA-N 305.338 -0.558 30 20 DBED C#CCN1CCC(C(=O)N[C@H]2CCN(CC(=O)NC)[C@@H]2C)CC1 1089059639 VAAFYRBRHXRDMQ-HIFRSBDPSA-N 320.437 -0.343 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2cc3ncccn3n2)[C@@H](O)C1 1090661031 XVPAPLQXNHMCDH-OCCSQVGLSA-N 313.361 -0.082 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2ccc(OC)nn2)[C@@H](O)C1 1090703127 BHXCNBGGFVFRIE-YPMHNXCESA-N 304.350 -0.327 30 20 DBED CC[C@H](C)OCC(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1091091215 ZQKFWPOFAXSXFC-UHTWSYAYSA-N 319.365 -0.171 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)[C@H]3CCNC3=O)c3nccn32)C1 1092385773 XWKBBFYHWBZJBW-NWDGAFQWSA-N 313.361 -0.776 30 20 DBED CC#CCN1C[C@@H](C)[C@H](CNC(=O)c2cnc(O)n(C)c2=O)C1 1092880121 ZNSGUFIXPSIKGV-VXGBXAGGSA-N 318.377 -0.193 30 20 DBED C[C@H](C(=O)NCCN=c1cc[nH]c(C#N)n1)[C@@H]1CCC(=O)N1 1094133012 JQISHLVQZRHZTB-UWVGGRQHSA-N 302.338 -0.787 30 20 DBED Cc1ncc(C(=O)NCc2cn(C3CN(CC#N)C3)nn2)[nH]1 1094279987 XMCLMXAOLYLUAB-UHFFFAOYSA-N 300.326 -0.380 30 20 DBED N#Cc1nc(=NCCCNC(=O)C[C@@H]2COC(=O)C2)cc[nH]1 1094367628 AMJQAICYHOLPOM-JTQLQIEISA-N 303.322 -0.358 30 20 DBED N#Cc1c[nH]ccc1=NCCCNC(=O)[C@H]1CCNC(=O)C1 1094381607 CDZGWSNOGQJNOA-NSHDSACASA-N 301.350 -0.180 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)c3[nH]cnc3C)CC2=O)C1 1094820560 JTNGXPZBGGPPNX-NSHDSACASA-N 303.366 -0.081 30 20 DBED CNC(=O)NCC(=O)N1CC[C@H](Nc2nccnc2C#N)C1 1096979828 FUPCNLKUOCBSIC-VIFPVBQESA-N 303.326 -0.710 30 20 DBED C[C@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1)N=c1cc[nH]c(C#N)n1 1098269538 LXWBITXYEUKYAM-MXWKQRLJSA-N 316.365 -0.412 30 20 DBED CC#CCN(CCO)C1CCN(C(=O)CC(=O)N(C)C)CC1 1098493733 ABFVDXCUHOVOJW-UHFFFAOYSA-N 309.410 -0.227 30 20 DBED C[C@H](CCNC(=O)[C@H]1CCC(=O)N1)N=c1cc[nH]c(C#N)n1 1098929961 JQNVMJYEYKSFEW-NXEZZACHSA-N 302.338 -0.645 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)C2=COCCO2)[C@H](O)C1 1099642808 WTEGKAAACVPVGP-QWHCGFSZSA-N 312.366 -0.371 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)CC(C)(C)O)[C@H](O)C1 1099809507 ISTDBLBBWPDFJJ-NWDGAFQWSA-N 313.398 -0.999 30 20 DBED C#CCOCCC(=O)N[C@H]1CCN(Cc2csnn2)C[C@H]1O 1099832322 FXWRPOHLYNFLEZ-QWHCGFSZSA-N 324.406 -0.371 30 20 DBED CN(CCNC(=O)C[C@@H]1COC(=O)C1)c1ccc(C#N)nn1 1100012161 HLEBCECHERVRNV-JTQLQIEISA-N 303.322 -0.146 30 20 DBED C=CCN1CC[C@@H](NC(=O)CNC(=O)c2ccco2)[C@@H](O)C1 1100096563 JHJSZMZOXQGTHY-NEPJUHHUSA-N 307.350 -0.253 30 20 DBED COCC#CCN1CC[C@H](NC(=O)Cn2ccnc2C)[C@@H](O)C1 1100110281 SSRDRAZHKADDRQ-GJZGRUSLSA-N 320.393 -0.607 30 20 DBED CC#CCN1CC[C@H](NC(=O)C(C)(C)NC(=O)NC)[C@H](O)C1 1100126579 JGKXWLNXBHAJTA-NWDGAFQWSA-N 310.398 -0.731 30 20 DBED CN(CCNC(=O)C[C@@H]1CCC(=O)N1C)c1ccc(C#N)nn1 1100254507 YVSSQYLJDUVTHZ-LBPRGKRZSA-N 316.365 -0.088 30 20 DBED CN(CCNC(=O)c1cn(C)ccc1=O)c1ccc(C#N)nn1 1100421535 RYJOJAPEJWMZJL-UHFFFAOYSA-N 312.333 -0.087 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)[C@@H](C)CC(N)=O)c3nccn32)C1 1101635404 IMISLEMFXPLQQO-NWDGAFQWSA-N 315.377 -0.400 30 20 DBED CN(CCN=c1cc[nH]cc1C#N)C(=O)[C@]1(C)CCC(=O)N1 1101933861 HBTFYKNTWKLCAM-HNNXBMFYSA-N 301.350 -0.086 30 20 DBED CC(C)N(CCCNC(=O)CC(N)=O)c1ccnc(C#N)n1 1102086495 IGKHNQNTTICJOP-UHFFFAOYSA-N 304.354 -0.055 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](C)[C@H](CCNC[C@@H](C)O)C1 1104097181 FJWVVNVQJNSCRC-MGPQQGTHSA-N 309.410 -0.419 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)[C@H]1CCNC1=O 1104764105 OMDIYDYNKLTEND-UWVGGRQHSA-N 302.338 -0.835 30 20 DBED C=CCCNCc1cn(C2CN(C(=O)c3cnnn3C)C2)nn1 1105225238 NHTPEAMZNGTQHC-UHFFFAOYSA-N 316.369 -0.231 30 20 DBED COCC#CCN1CC(OC2CCN(C(=O)COC)CC2)C1 1105680099 SDWFFLGFBPNLMK-UHFFFAOYSA-N 310.394 -0.026 30 20 DBED N#Cc1cncc(NC[C@@H](O)CNC(=O)[C@H]2CCCCO2)n1 1105819685 IRUUYIYYRQHUBL-VXGBXAGGSA-N 305.338 -0.194 30 20 DBED N#Cc1c(F)cccc1NC[C@@H](O)CNC(=O)[C@H]1COC(=O)N1 1105835663 RSDTTWSHKFMWHX-PRHODGIISA-N 322.296 -0.305 30 20 DBED Cc1nccn1CC(=O)NC[C@@H](O)CNc1cnc(C#N)cn1 1105866744 ILLJLZWKNHKZPH-LBPRGKRZSA-N 315.337 -0.558 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](O)CNc1cncc(C#N)n1 1106125162 NGICJEWTANZGTE-UPJWGTAASA-N 317.349 -0.172 30 20 DBED CN1C[C@@H](C(=O)NC[C@@H](O)CNc2ccc(C#N)nc2)CC1=O 1106144134 OMHCQYFCNCEUKO-GWCFXTLKSA-N 317.349 -0.679 30 20 DBED Cc1nc(NC[C@H](O)CNC(=O)c2cnn[nH]2)ccc1C#N 1106171732 HGZHSJRBDMYNBD-JTQLQIEISA-N 301.310 -0.417 30 20 DBED CCN(CCN=c1cc[nH]cc1C#N)C(=O)C1CS(=O)(=O)C1 1106849350 DSDCHDJXCIZRCL-UHFFFAOYSA-N 322.390 -0.320 30 20 DBED CN(C)C(=O)CC(=O)NC/C=C/CNc1nccnc1C#N 1107535323 FCZFGIHXIGTGFE-ONEGZZNKSA-N 302.338 -0.089 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)[C@@]1(C)CCNC(=O)C1 1108188980 LOBADQUCIDYMRG-BMIGLBTASA-N 316.365 -0.397 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)CS(=O)(=O)CCC)C1 1108405195 VNHUMSIDBNKPKP-AWEZNQCLSA-N 316.423 -0.349 30 20 DBED N#Cc1cncc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)CCCC(N)=O)n1 1109711683 LKEMVHCYNNKEPB-BPYAMOTFSA-N 314.349 -0.303 30 20 DBED N#Cc1nccnc1NCCN(CCO)C(=O)Cc1ncc[nH]1 1111497420 IRDWFTMGJMAYJI-UHFFFAOYSA-N 315.337 -0.453 30 20 DBED Cc1ccc(C#N)c(N2CCOC[C@H]2CNC(=O)C(N)=O)n1 1111715177 FKKRSDZUBYQNBP-LLVKDONJSA-N 303.322 -0.932 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)c2ncccc2O)CC1 1112782555 ZQOOBZSRMCMHCV-UHFFFAOYSA-N 303.322 -0.815 30 20 DBED N#CCNC(=O)CN1C[C@H]2C(NC(=O)C3=COCCC3)[C@@H]2C1 1114002961 QZBDAKIUORKZFX-VXGBXAGGSA-N 304.350 -0.633 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)c3ccn(C)c3)[C@@H]2C1 1114136660 LMTYGWLWSMRREP-CHWSQXEVSA-N 302.378 -0.013 30 20 DBED N#Cc1nccc(N2C[C@H]3[C@H](CNC(=O)Cc4nc[nH]n4)[C@H]3C2)n1 1114570900 AGXZTKFDZCWNSB-RTCCRHLQSA-N 324.348 -0.493 30 20 DBED N#Cc1cnc(N2C[C@H]3C(CNC(=O)Cc4nc[nH]n4)[C@@H]3C2)cn1 1114572471 QLBFKIJMCOWIKB-RYUDHWBXSA-N 324.348 -0.493 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3conc3C)[C@H]2C1 1114760994 DKRZJFWVYHQMLZ-QWRGUYRKSA-N 302.334 -0.608 30 20 DBED C=CCN1C[C@H]2[C@H](NC(=O)C(C)(C)NS(C)(=O)=O)[C@H]2C1 1114943334 YBYCFXPRNBTJIS-URLYPYJESA-N 301.412 -0.453 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)c3cc(C(N)=O)c[nH]3)[C@H]2C1 1115018445 SHNRGZVGUNZHNB-IMRBUKKESA-N 316.361 -0.577 30 20 DBED C=CCCOCC(=O)N[C@H]1[C@@H]2CN([C@@H](C)C(=O)NC(N)=O)C[C@@H]21 1115329784 AUVXCZIOMBAMNC-MEWQQHAOSA-N 324.381 -0.791 30 20 DBED C=CCn1cnnc1S(=O)(=O)CC(=O)NC[C@H]1CCCO1 1116242951 BEZPYEMMSRWQKW-SNVBAGLBSA-N 314.367 -0.467 30 20 DBED N#C[C@H]1CC[C@@H](NC(=O)C(=O)N2CCC[C@@H](CNC(N)=O)C2)C1 1118179964 KFHAOAWZTDFURB-SDDRHHMPSA-N 321.381 -0.298 30 20 DBED C=CCOCCNC(=O)C(=O)N[C@@H](C)c1nnnn1C1CC1 1119136537 KIXVPPGFUPSXCY-VIFPVBQESA-N 308.342 -0.496 30 20 DBED CCONC(=O)CNC(=O)C(=O)N[C@H](C)c1cccc(C#N)c1 1119546482 SCHHXYWLGBNOSB-SNVBAGLBSA-N 318.333 -0.081 30 20 DBED C=CCCOCCn1nnnc1N1CC(S(=O)(=O)CC)C1 1120091868 DGSQDRSOHAUNHR-UHFFFAOYSA-N 315.399 -0.111 30 20 DBED COC(=O)NCC(=O)NC[C@@H](CO)Nc1nc(C)ccc1C#N 1121113446 TUQMCCDTHLQEHY-NSHDSACASA-N 321.337 -0.493 30 20 DBED C#CCNC1CC2(C1)CC(NC(=O)[C@@H](C)NC(=O)COC)C2 1121155330 AJKINDYSMWWZPQ-MPXNVAGNSA-N 307.394 -0.212 30 20 DBED Cn1nncc1C(=O)NC[C@H](CO)Nc1ccc(C#N)nc1 1121385678 JITBVRHNIIFDKG-LLVKDONJSA-N 301.310 -0.715 30 20 DBED CCn1ncc(C(=O)NC[C@@H](CO)Nc2ncccc2C#N)n1 1121472091 MOUUFTSSZYDJJZ-NSHDSACASA-N 315.337 -0.233 30 20 DBED CO[C@H](C(=O)NC[C@@H](CO)Nc1cnc(C#N)cn1)C1CC1 1121504851 ITVWBXPURCDPKK-AAEUAGOBSA-N 305.338 -0.338 30 20 DBED CC(=O)NC(C)(C)C(=O)NC[C@@H](CO)Nc1ccc(C#N)cn1 1121777121 GTPKSMPLXYNVTK-LBPRGKRZSA-N 319.365 -0.243 30 20 DBED C=CCn1cc(C(=O)NC[C@H](CO)Nc2cnc(F)cn2)nn1 1122634535 BMSRKPJAKPKFJF-SECBINFHSA-N 321.316 -0.404 30 20 DBED CNC(=O)NCC(=O)N1C[C@H](Nc2cncc(C#N)n2)C[C@@H]1C 1123318511 HCEGNSWNQXPBQG-VHSXEESVSA-N 317.353 -0.321 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]cc1C#N)C(=O)c1cnns1 1124091091 PBLDSCARXJSIDM-JTQLQIEISA-N 318.362 -0.228 30 20 DBED C=C[C@](C)(O)CC(=O)N(C)C[C@@H](O)CNc1cnc(C#N)cn1 1124267725 XJUNPXCBORFYSO-WFASDCNBSA-N 319.365 -0.093 30 20 DBED CN(C[C@H](O)CN(C)c1ccc(C#N)nn1)C(=O)[C@@H]1CCOC1 1124994036 GCTSWAUMRSIFIG-DGCLKSJQSA-N 319.365 -0.360 30 20 DBED C#CCOCCC(=O)NCCNCc1nnc2n1CCCC2 1127027151 KGXMTDPHPPXLRB-UHFFFAOYSA-N 305.382 -0.140 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1=O 1127558914 VGONYFMIJYIFHV-JHJVBQTASA-N 322.409 -0.606 30 20 DBED C#CCOCCC(=O)NCc1cnn2c1CN(C[C@@H](C)O)CC2 1128363012 POGJYLYGKUACSH-CYBMUJFWSA-N 320.393 -0.264 30 20 DBED C#CCN1CCn2ncc(CNC(=O)C3(C(=O)NC)CC3)c2C1 1128517315 HGRYOLCBXYUTRT-UHFFFAOYSA-N 315.377 -0.526 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)CCn2ccnn2)C1 1128929284 FMIIGIPSDAVNJW-OLZOCXBDSA-N 316.369 -0.513 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1nccc2cccnc12 1129718887 RIQWALITPOIVCT-UHFFFAOYSA-N 311.345 -0.301 30 20 DBED C=CCN1CC[C@@H](c2n[nH]cc2CNC(=O)CNC(N)=O)C1 1130342285 FKAGVUOXUIRGBK-SNVBAGLBSA-N 306.370 -0.331 30 20 DBED C#CCCN1CCOC[C@@H]1c1n[nH]c(CNC(=O)COC)n1 1130823236 PRNWWRYTDAZHQX-LLVKDONJSA-N 307.354 -0.536 30 20 DBED C=CCNC(=O)CNCCNC(=O)CCc1ccc(O)nc1 1132843854 FGJWYQDULPGSPN-UHFFFAOYSA-N 306.366 -0.272 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1Cc2cccnc2C1 1149195854 JMCBPJFIVPGOJE-OCCSQVGLSA-N 314.389 -0.360 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)[C@@]23CCCN(CC2)C3)C1=O 1149254870 XCHKJEUKOCHKEC-PBHICJAKSA-N 320.437 -0.035 30 20 DBED C=CCNC(=O)CN(CC)[C@H](C)CNC(=O)C[C@@H]1CCC(=O)N1 1155783832 WTVFJCHMPNKDRN-OLZOCXBDSA-N 324.425 -0.216 30 20 DBED C#CCN(CC)[C@H](C)CNC(=O)CN1CCS(=O)(=O)CC1 1156875770 MNHNUROTHIFAJE-CYBMUJFWSA-N 315.439 -0.823 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCCNCc1cnnn1CC 1160198318 ZXHKWZLOXYZCJY-HNNXBMFYSA-N 318.425 -0.009 30 20 DBED COCC#CCNCCCNC(=O)Cc1ccc(C(N)=O)nc1 1160974212 KQDLAAABEFNENL-UHFFFAOYSA-N 318.377 -0.531 30 20 DBED CO[C@@H]1CCC[C@H](C(=O)NCCCNCC(=O)NCC#N)C1 1165386260 CAGCKCCSQFEGJW-QWHCGFSZSA-N 310.398 -0.073 30 20 DBED C#CCNC(=O)CNCCCNC(=O)Cn1ccnc1C(C)C 1167472002 QQJVSPBESBWRIE-UHFFFAOYSA-N 319.409 -0.148 30 20 DBED COCC#CCNCCCNC(=O)c1nc(O)nc(O)c1OC 1171071561 AIKDTEFWRYPRDW-UHFFFAOYSA-N 324.337 -0.744 30 20 DBED C#CCCN1CCO[C@@H]2CCN(C(=O)CNC(=O)OC)C[C@@H]21 1176938888 ZLGLTVCLCOSVIW-QWHCGFSZSA-N 309.366 -0.333 30 20 DBED COCCCOCC(=O)N1CC[C@H]2OCCN(CC#N)[C@H]2C1 1177131328 MVZZURQHLQBBPR-UONOGXRCSA-N 311.382 -0.135 30 20 DBED COCCCOCC(=O)N1CC[C@H]2OCCN(CC#N)[C@@H]2C1 1177131330 MVZZURQHLQBBPR-ZIAGYGMSSA-N 311.382 -0.135 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)c2cn[nH]c2)[C@H]1C 1178179623 UMBQDOLEDUWHGA-GVXVVHGQSA-N 303.366 -0.260 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC[C@H](NC[C@H](O)COC)[C@@H]1C 1178572438 IAVRFLKMJREZIO-PWNZVWSESA-N 300.399 -0.100 30 20 DBED C=CCNC[C@]1(C)CN(C(=O)CN2CC(=O)NC2=O)C[C@H]1C 1182917692 YVSNZVMMSNFNEK-IAQYHMDHSA-N 308.382 -0.202 30 20 DBED CCOCC(=O)N1CC[C@H](CNCC(=O)NCC#N)[C@@H](C)C1 1183809409 NSVWZQSLYLVRLM-QWHCGFSZSA-N 310.398 -0.263 30 20 DBED C#CCCN[C@@H]1CCN(C(=O)c2nc(O)nc(O)c2OC)C1 1187061941 YSGNVNQHGCICRN-SECBINFHSA-N 306.322 -0.276 30 20 DBED CN(CC(=O)NCC#N)[C@@H]1CCN(C(=O)c2cnn(C)c2)C1 1188805028 ZDLWLWMBTDBURD-GFCCVEGCSA-N 304.354 -0.794 30 20 DBED C=CCn1cc(C(=O)N2CC[C@@H](N(C)C[C@H](O)COC)C2)nn1 1192724277 RMLVWLHFZALKKF-OLZOCXBDSA-N 323.397 -0.382 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)c2ccns2)C1 1193385023 ZLRWXAQANWCCKJ-GMTAPVOTSA-N 322.390 -0.944 30 20 DBED C#CCCCCCC(=O)N[C@@H]1CN(Cc2nc(O)n[nH]2)C[C@H]1O 1195339548 ZMWKYDDULCSNRD-VXGBXAGGSA-N 321.381 -0.245 30 20 DBED CCCn1cc(C(=O)N[C@@H]2CN(CC#CCOC)C[C@H]2O)cn1 1196475195 QBOXYMPIVTZCAP-HUUCEWRRSA-N 320.393 -0.282 30 20 DBED COCC#CCNC1CCN(C(=O)[C@H]2CCNC(=O)C2)CC1 1200057335 MRKVSHQARRQECX-ZDUSSCGKSA-N 307.394 -0.257 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)c2ccn(C)c2)CC1 1200057729 UZBBKSWTMCPJMK-UHFFFAOYSA-N 302.378 -0.031 30 20 DBED Cn1cnc(C(=O)N2CCCO[C@H](CNCC#N)C2)cc1=O 1200714973 ZTMGVHILNFMBKA-LLVKDONJSA-N 305.338 -0.875 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)CCS(C)(=O)=O)CCCO1 1200824274 KIUHBWQGSAUEAR-CYBMUJFWSA-N 316.423 -0.349 30 20 DBED N#CCNC(=O)CNCC1CCN(C(=O)CSCC#N)CC1 1204561254 YGFXTFUTUIGVBL-UHFFFAOYSA-N 323.422 -0.289 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2ccnn2C)[C@H](C)C1 1206428719 CLWXIAZCTZNROO-VXGBXAGGSA-N 303.366 -0.780 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)[C@H](C)n2cncn2)[C@H](C)C1 1206878258 GAZNVNXLNRIMSN-FRRDWIJNSA-N 318.381 -0.975 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2ncnn2C)C[C@H]1C 1206963398 CMKUEHCUGYRBBE-FRRDWIJNSA-N 305.382 -0.210 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)[C@H](F)C(F)(F)F 1207022794 NRLJSOBJPTWQQJ-MRTMQBJTSA-N 324.278 -0.037 30 20 DBED Cc1ncncc1C(=O)N1CCC[C@H](NCC(=O)NCC#N)C1 1207480761 MXLRMXCDFSULGJ-LBPRGKRZSA-N 316.365 -0.381 30 20 DBED COCC#CCN1C[C@@H](NC(=O)c2cncnc2O)[C@H](C)C1 1207664530 IPVKYLUGXNGYQN-DGCLKSJQSA-N 304.350 -0.118 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)c2cn(C)cn2)C1 1207808234 WJKHUJZAYINCGL-GFCCVEGCSA-N 305.382 -0.084 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)c2ncoc2C)[C@H](OC)C1 1211953754 CLPAIBPQCDHJFB-VXGBXAGGSA-N 322.365 -0.286 30 20 DBED C=CCOCC(=O)N1CCO[C@@H]2CN(Cc3cnnn3C)C[C@@H]21 1217533642 ZJHXBPIQXMYIDF-UONOGXRCSA-N 321.381 -0.571 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)CCSCC)C1 1219261520 MDZWPSLEVWYLHC-NEPJUHHUSA-N 313.423 -0.960 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@@H](C)CN2CCOCC2)C1 1220986193 VTVWWHNRDZFKEG-ZNMIVQPWSA-N 309.410 -0.861 30 20 DBED N#CCN1CC[C@@H]2CN(C(=O)CCNC(=O)[C@H]3CCCO3)[C@@H]2C1 1222123948 BAAPHCSZEJSDOW-MGPQQGTHSA-N 320.393 -0.272 30 20 DBED Cc1cc(C(=O)NC2CCN(CC(=O)NCC#N)CC2)on1 1226018129 YQVUQJFVKCNSFJ-UHFFFAOYSA-N 305.338 -0.183 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CC1(O)CCC1 1226080345 OHWYLBRARSLIGE-CHWSQXEVSA-N 322.409 -0.052 30 20 DBED CN(C[C@H]1CCN1CC(=O)NCC#N)C(=O)C1CCOCC1 1230557480 VJGVBEPCPBGUAG-CYBMUJFWSA-N 308.382 -0.415 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)[C@H](C)n1cncn1 1233750848 IYALTUCOXCBCKX-QWHCGFSZSA-N 318.381 -0.879 30 20 DBED C#CCOCCC(=O)N(C)C[C@@H]1CCN1CC(=O)N1CCC1 1234256235 VMEOKFMJNYXVDM-AWEZNQCLSA-N 307.394 -0.209 30 20 DBED C=CCN(CC=C)C(=O)C(=O)Nc1cnn(CC(=O)NC)c1 1319350434 SFLOAFXRSRTYIY-UHFFFAOYSA-N 305.338 -0.232 30 20 DBED C=CCS(=O)(=O)CCNC(=O)NC[C@H](C)S(C)(=O)=O 1320130244 BZTKGPDHYHBCCP-VIFPVBQESA-N 312.413 -0.681 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)Nc1c(OC)ncnc1N(C)C 1320301703 HTKJOEASEHRXGQ-SECBINFHSA-N 323.353 -0.193 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N[C@H]1CCS(=O)(=O)C1 1320860938 JSOORPBVAASNPI-VIFPVBQESA-N 310.397 -0.927 30 20 DBED CN[C@@H]1CCCN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1 1329382962 MMALEECOQYXJMA-TZMCWYRMSA-N 319.409 -0.604 30 20 DBED C#CCN(C(=O)C(=O)N1CC[C@H](CS(C)(=O)=O)C1)C(C)C 1335688632 HJZZOHBULXHFFP-LBPRGKRZSA-N 314.407 -0.250 30 20 DBED CCN(C(=O)C(=O)Nc1ccc(C#N)cn1)[C@@H]1CCNC1=O 1343926862 IVRFVTZYFSKZCM-SNVBAGLBSA-N 301.306 -0.371 30 20 DBED CN(Cc1ccccn1)C(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1345965018 AUHILAMGBMVRMF-HNNXBMFYSA-N 302.334 -0.083 30 20 DBED C=CCOCCn1nnnc1N1CCC2(CC1)CNC(=O)O2 1352363039 UNAINZHIXPECIK-UHFFFAOYSA-N 308.342 -0.046 30 20 DBED Cn1cnnc1[C@@H]1CCCN(C(=O)Cn2cnc(C#N)n2)C1 1362093504 NUCBPNLAZPFHGY-SNVBAGLBSA-N 300.326 -0.316 30 20 DBED N#Cc1ncccc1S(=O)(=O)NCc1nc(C(N)=O)cs1 1364033206 FAVWPXAJAKQMDJ-UHFFFAOYSA-N 323.359 -0.013 30 20 DBED CCN(CCC#N)C(=O)CN1CC[C@@H](NC(=O)[C@H](O)C(C)C)C1 1365968298 BBFXUPWFGQWMMH-UKRRQHHQSA-N 324.425 -0.044 30 20 DBED COCCN(CCNC(=O)[C@@H](C)C#N)[C@@H](C)c1nnnn1C 1380106989 VNXMEXJWKTWGRF-QWRGUYRKSA-N 309.374 -0.505 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C)C(=O)[C@@H]1CCCS(=O)(=O)C1 1387084121 XQIMNTKOQJFQOK-WDEREUQCSA-N 315.395 -0.455 30 20 DBED Cc1nc(CC(=O)N(C)C[C@H]2CCN2C(=O)[C@@H](C)C#N)n[nH]1 1406475550 QGQWZCBJPZYMBJ-GXSJLCMTSA-N 304.354 -0.125 30 20 DBED CC[C@@H](CNC(=O)CN(C)S(C)(=O)=O)NC(=O)[C@@H](C)C#N 1409297029 OEPCPROMNSGZHX-UWVGGRQHSA-N 318.399 -0.952 30 20 DBED CC[C@@]1(O)CCCN(C(=O)CCn2cc(C#N)c(O)nc2=O)C1 1412440168 DDACUQQOOKEFBL-OAHLLOKOSA-N 320.349 -0.026 30 20 DBED N#Cc1cn(CCNC(=O)c2cncc(Cl)n2)c(=O)nc1O 1412860654 GSRGTKSQEFHSFK-UHFFFAOYSA-N 320.696 -0.306 30 20 DBED C[C@H](CNC(=O)[C@H]1CCC(=O)N1)NC(=O)c1c[nH]c(C#N)c1 1416803453 OPMZASIZKURBSC-LDYMZIIASA-N 303.322 -0.601 30 20 DBED COC(=O)NCC(=O)NC[C@@H]1CCN1C(=O)c1c[nH]c(C#N)c1 1432009493 ACHWPVYQJHXVMA-NSHDSACASA-N 319.321 -0.427 30 20 DBED CC(=O)N(C)CC(=O)N1CC[C@@](C)(CNC(=O)[C@@H](C)C#N)C1 1434212547 HEZLTARFHIXSRC-NHYWBVRUSA-N 308.382 -0.021 30 20 DBED CN(C[C@@H](O)CNCc1nncs1)C(=O)c1cc(C#N)c[nH]1 1441961011 QKILQRNESVVYTL-JTQLQIEISA-N 320.378 -0.039 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNCc1nnsc1Cl 1445166733 ZBPBSIADDLZGKK-RNFRBKRXSA-N 303.775 -0.082 30 20 DBED Cc1cc(=O)c(C(=O)N2CC(NC(=O)[C@H](C)C#N)C2)cn1C 1456388239 BVQLUKDMJHDQSS-SECBINFHSA-N 302.334 -0.206 30 20 DBED CNS(=O)(=O)CCC(=O)N(C)CCN(C)C(=O)[C@H](C)C#N 1457784595 RFTYZBYPNLMYOB-SNVBAGLBSA-N 318.399 -0.998 30 20 DBED Cc1noc(C)c1CCC(=O)NC[C@@H](O)CNC(=O)[C@H](C)C#N 1457976559 AIHLLEAWYLRGJG-BXKDBHETSA-N 322.365 -0.023 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(Cc2nnc(C3CC3)o2)C1 1484264064 IQOUKXLWZDUXSF-VIFPVBQESA-N 305.338 -0.230 30 20 DBED CC(C)c1nccn1CC(=O)NC[C@H](O)CNC(=O)[C@H](C)C#N 1501526537 XPHWXYJYZMLZJI-NEPJUHHUSA-N 321.381 -0.241 30 20 DBED C#CC[C@@H](CCOC)NC(=O)NCc1nc(O)cc(CN)n1 1574504778 NGNLOSUFCFMHNT-JTQLQIEISA-N 307.354 -0.132 30 20 DBED C#CC[C@@]1(C(=O)Nc2ncn(CC(=O)N(C)C)n2)CCCN1 1574524922 AJYRYOVIUNFTID-AWEZNQCLSA-N 304.354 -0.550 30 20 DBED N[C@H]1C[C@@H](CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 1580418126 BCVBDKWOIHEBRP-AOOOYVTPSA-N 322.390 -0.421 30 20 DBED C=CCCn1cc(C(=O)N2C[C@@H](C(=O)O)[C@H](C(=O)OC)C2)nn1 1588817587 OHNFOUTVMKTGCW-NXEZZACHSA-N 322.321 -0.200 30 20 DBED CC(C)(C)[C@H](NS(=O)(=O)N1CCO[C@@H](C#N)C1)C(=O)O 1590445066 XSOOTYJHWFCMNH-DTWKUNHWSA-N 305.356 -0.456 30 20 DBED CC[C@@H](NC(C)=O)C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[nH]1 1590462949 VLMNYMPHEJJELZ-ZCFIWIBFSA-N 303.286 -0.685 30 20 DBED Cc1nc(-c2nn[nH]n2)c(C#N)n1Cc1ncnn1CCF 1592336161 SMKHLBMDNDQKGQ-UHFFFAOYSA-N 302.277 -0.147 30 20 DBED CN(C(=O)[C@@H]1C[C@H]1C(=O)O)C1CCN(CC(=O)NCC#N)CC1 1597998264 JSXWKISYLILSCG-VXGBXAGGSA-N 322.365 -0.730 30 20 DBED C#CCN(CC(=O)O)C(=O)C(=O)Nc1ccc(C(=O)NC)cc1 1602679439 QAYGFIXSKZPPHV-UHFFFAOYSA-N 317.301 -0.469 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H](CCC1OCCO1)C(=O)O 1602720255 OISKBHMBGDGDFN-RYUDHWBXSA-N 310.350 -0.194 30 20 DBED C=CCOC[C@H](NC(=O)Cn1c([N+](=O)[O-])cnc1C)C(=O)O 1602908782 FRHFPHLWLVEQBN-VIFPVBQESA-N 312.282 -0.128 30 20 DBED N#Cc1ccc(C(=O)NCCNc2ccc(-c3nn[nH]n3)nn2)[nH]1 1606367315 CQDSJGKVQGQEHO-UHFFFAOYSA-N 324.308 -0.302 30 20 DBED C#CCN(C)CCCNC(=O)N1CCC([C@H](O)C(=O)O)CC1 1609137241 HFRRMIBPFWOLMU-ZDUSSCGKSA-N 311.382 -0.191 30 20 DBED N#Cc1c[nH]cnc1=NCCCNc1ncncc1-c1nn[nH]n1 1609500527 GYXCRLOZPOZVKF-UHFFFAOYSA-N 323.324 -0.346 30 20 DBED C[C@@H]1[C@@H](NC(=O)C2(NC(N)=O)CC2)CCN1C(=O)C#CC1CC1 1735348754 WSKLXTJGISTSAF-PWSUYJOCSA-N 318.377 -0.294 30 20 DBED COCC#CCN1CC[C@@H](CCNC(=O)CNC(=O)C2CC2)C1 1753321375 GABUMWMWHUKJAJ-CQSZACIVSA-N 321.421 -0.009 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H]1CN(Cc2n[nH]c(C)n2)CCO1 1753648747 MJKYGCPGUNBYNE-DGCLKSJQSA-N 321.381 -0.532 30 20 DBED C#CCOCCC(=O)N1CCC[C@@H]([C@H](C)NCC(=O)NC)C1 1753795007 UIIRGCHHPZAKLZ-UONOGXRCSA-N 309.410 -0.011 30 20 DBED C#CCCNC[C@@H](O)CNC(=O)c1csc(-c2nc[nH]n2)n1 1753931367 SIGQSMGDPVYYBU-SECBINFHSA-N 320.378 -0.368 30 20 DBED C=CCn1cc(C(=O)N[C@H](C)CNCC(=O)NC2CC2)nn1 1754244253 RFYYUVISVKEXNU-SNVBAGLBSA-N 306.370 -0.549 30 20 DBED C#CCNC(=O)CNC[C@H](C)NC(=O)Cn1cc(Cl)cn1 1754284691 PYHWVLIAJQGRBQ-JTQLQIEISA-N 311.773 -0.620 30 20 DBED C#CCNC(=O)CN1CC(N(C)C(=O)[C@@H]2CCN(C)[C@@H]2C)C1 1754575772 MOIBDIDVUQAJNF-TZMCWYRMSA-N 306.410 -0.781 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@]1(O)CCN(Cc2nccn2C)C1 1754751546 OEQBXHASUYIIOG-XJKSGUPXSA-N 320.393 -0.489 30 20 DBED CC#CCNCC[C@H]1CCN(C(=O)[C@H](C)NS(C)(=O)=O)C1 1754932871 IKTKRXXYUNUAHB-STQMWFEESA-N 315.439 -0.224 30 20 DBED CC#CCNC1(CNC(=O)CN(C)S(C)(=O)=O)CCC1 1754983547 XMOLQWWMJLEMSY-UHFFFAOYSA-N 301.412 -0.470 30 20 DBED C#CCNC[C@@H]1CN(C(=O)Cn2c(C)c(C)sc2=O)CCO1 1755017694 NRDRCMYKBBVHRV-CYBMUJFWSA-N 323.418 -0.023 30 20 DBED C#CCCN[C@@]1(CO)CCCN(C(=O)[C@H](CC)NC(C)=O)C1 1755089627 TUDQYAQSJHEHIL-HOCLYGCPSA-N 309.410 -0.133 30 20 DBED C=C[C@](C)(O)CC(=O)NC1(CN[C@H](C)C(N)=O)CCOCC1 1755095075 VAHJFNGGSCEEHS-RISCZKNCSA-N 313.398 -0.558 30 20 DBED Cc1cc(C(=O)N[C@H]2CN(CC(=O)NCC#N)CC2(C)C)n[nH]1 1755405837 NDZUMTAGBWIANZ-LBPRGKRZSA-N 318.381 -0.202 30 20 DBED C=CCCCN[C@H](CO)CNC(=O)[C@@H]1CCc2nnnn2CC1 1755639532 RVRCNPAXUFIRQE-OLZOCXBDSA-N 322.413 -0.342 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@@H](C)N(C(=O)c2nn(C)cc2C)C1 1755678976 QTNNQARWRORQHN-OLZOCXBDSA-N 317.393 -0.329 30 20 DBED C#CCNC[C@@H]1CC[C@@H](NC(=O)CN(C)CC(=O)NC(C)C)C1 1755738221 SAVBNTQWTGCMAP-HUUCEWRRSA-N 322.453 -0.050 30 20 DBED C#CCOCCC(=O)N[C@@H](C)[C@H](C)NC(=O)[C@@H]1[C@H]2COC[C@H]21 1755971808 VGRQPMDTEJKXLD-XOBFJNJYSA-N 308.378 -0.072 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](C)N(C)C(=O)C(=O)NCC(F)F 1756063261 HZSOYWWDBOQSCB-YUMQZZPRSA-N 304.297 -0.510 30 20 DBED CC#CCCCC(=O)N1CC([C@H](C)NC(=O)[C@@H]2CNC(=O)N2)C1 1756154477 BLNYIPGAZZBBSR-AAEUAGOBSA-N 320.393 -0.176 30 20 DBED C=CC(C)(C)C(=O)N[C@H](C)CN(C)C(=O)CN1C(=O)CNC1=O 1756498293 MEPJDQYRMKUIML-SNVBAGLBSA-N 324.381 -0.287 30 20 DBED C=C1CC(C)(C(=O)N2C[C@H](O)[C@H](NC(=O)C3(C(N)=O)CC3)C2)C1 1757206866 ADTZUWRDDTXUFW-MNOVXSKESA-N 321.377 -0.704 30 20 DBED C=CCOCC(=O)N1CC[C@@H](NC(=O)c2ccccn2)[C@@H](O)C1 1757560384 UYHFSVBMFWDHAL-OCCSQVGLSA-N 319.361 -0.024 30 20 DBED N#CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3ncon3)C2)C1 1779868017 WJQYPBAYTLXBOA-ZDUSSCGKSA-N 305.294 -0.573 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccnnc1)CCO2 1783047828 JJTNBDIQHHJJRQ-OAHLLOKOSA-N 300.318 -0.447 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccncc1O)CCO2 1783053668 BBYCADNNHQJXRR-MRXNPFEDSA-N 315.329 -0.136 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(CO)o1)CCO2 1783055413 ZDCJWRUIFDEIMM-INIZCTEOSA-N 318.329 -0.151 30 20 DBED CC(C)[C@H](O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C#CC(=O)O)C2 1793232532 HLWRKJDTQUUZBT-OXIQGZBJSA-N 322.361 -0.271 30 20 DBED C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCN1CCOCC1 1795908966 VIFGQNHYTKXVNG-QDMKHBRRSA-N 319.405 -0.020 30 20 DBED C=CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NNC(=O)C1)C2 1800999336 KUSAVDMAVHGGBK-WDAIWFPHSA-N 320.349 -0.972 30 20 DBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCC#N)C2)C1 1839806493 CFXMAVXGTVCSBF-HNNXBMFYSA-N 305.334 -0.620 30 20 DBED C#CCN1CCN(C(=O)CN2CCCC[C@H]2C2OCCO2)CC1 81670461 SCNBRPAXVXSJRR-HNNXBMFYSA-N 321.421 -0.009 30 20 DBED CC(C)NC(=O)CN1CCN(C(=O)C2(C#N)CCOCC2)CC1 109138534 YCLYKTTWXWIVOL-UHFFFAOYSA-N 322.409 -0.024 30 20 DBED CC(C)[C@H](C#N)N1CCN(C(=O)Cn2cnc(C#N)n2)CC1 156440687 FFQJCGINWZJUGO-LBPRGKRZSA-N 301.354 -0.158 30 20 DBED CC/N=C(/N)N1CCN(S(=O)(=O)Cc2ccon2)CC1 261845660 XERSIVWNJSIYCM-UHFFFAOYSA-N 301.372 -0.543 30 20 DBED CCOC(=O)CO/N=C(/C(=O)NC[C@@H]1CCCO1)c1cc[nH]n1 276767857 XWDGZSOXPFNYDT-LNLNWCRDSA-N 324.337 -0.011 30 20 DBED COCCN1CCN(S(=O)(=O)c2cccnc2C#N)CC1 276969939 FJZUXVNDIXMDAF-UHFFFAOYSA-N 310.379 -0.094 30 20 DBED CO[C@@H]1[C@H]2C[C@@H]3CN(c4c(C#N)c(=O)n(C)c(=O)n4C)[C@@H]1[C@H]3C2 286294941 JBOVIIYTPZURRM-BSFRTMCYSA-N 316.361 -0.185 30 20 DBED Cn1c(N2CC[C@H](O)CC(C)(C)C2)c(C#N)c(=O)n(C)c1=O 296142213 XHTQKWYTLROJHM-JTQLQIEISA-N 306.366 -0.057 30 20 DBED C#C[C@@H](NC(=O)N1CCN(C(=O)Cn2cnnn2)CC1)C(C)C 298009782 OQPUHUGTCVGZMT-GFCCVEGCSA-N 319.369 -0.815 30 20 DBED N#Cc1cncc(S(=O)(=O)N2CCN3C(=O)CC[C@@H]3C2)c1 328671963 NTMONHVSUTVWAG-LLVKDONJSA-N 306.347 -0.051 30 20 DBED CN1CCC[C@@H]1C/N=C(/O)N1CCCN(S(C)(=O)=O)CC1 328823576 RDVHUWBKITWVNK-GFCCVEGCSA-N 318.443 -0.038 30 20 DBED CS(=O)(=O)N[C@@H]1CCN(/C(O)=N/CC[C@@H]2CCOC2)C1 329672321 UMULWONKRDGPDO-GHMZBOCLSA-N 305.400 -0.050 30 20 DBED O=C(CN/C(O)=N/C[C@H]1CCc2nccn2C1)N1CCOCC1 329904276 JAOZIEGYVJETMO-GFCCVEGCSA-N 321.381 -0.192 30 20 DBED CC/N=C(/O)N1CCN(C(=O)COCc2nc(C)no2)CC1 330781319 XXHBNDPRDDINLN-UHFFFAOYSA-N 311.342 -0.027 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@H]1CCCCNC1=O 331879634 CDJWCENVGOOUFJ-NSHDSACASA-N 318.399 -0.648 30 20 DBED CCCCN(C)CCNS(=O)(=O)N1CCO[C@@H](C#N)C1 337105140 ZBTJXNIMIGYTHB-LBPRGKRZSA-N 304.416 -0.223 30 20 DBED CC(CO)(CO)NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1 346500695 ZZTYOYSWHPQBEF-UHFFFAOYSA-N 315.333 -0.201 30 20 DBED C=CCNC(=O)CNC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O 360754039 HMJMSEKVQOHHSX-CQSZACIVSA-N 308.338 -0.875 30 20 DBED C[C@@H](C(=O)N1CCOC[C@@H]1C#N)N1C(=O)NC2(CCCC2)C1=O 362907228 RKNJRGGZFDAMFY-QWRGUYRKSA-N 320.349 -0.010 30 20 DBED Cn1c(N2CCOC[C@H]2[C@@H]2CCCO2)c(C#N)c(=O)n(C)c1=O 376259501 CYXDLVAJJDKPBA-RYUDHWBXSA-N 320.349 -0.660 30 20 DBED CC(C)(C#N)C(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 408022936 ZYEMMPJNRDYRKV-UHFFFAOYSA-N 320.349 -0.644 30 20 DBED C=CCCn1cc(C(=O)Nc2ccn(CC(=O)N(C)C)n2)nn1 424650244 YOBBQRBBVORNBA-UHFFFAOYSA-N 317.353 0.391 30 20 DBED C=CCn1cc(CNC(=O)NCc2nc(N(C)C)no2)nn1 425772556 NBNBHVLCTMLZBA-UHFFFAOYSA-N 306.330 -0.088 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2C[C@@H](O)C2(C)C)C1=O 428290950 ONQGIDBUZRZWHI-DTWKUNHWSA-N 309.322 -0.761 30 20 DBED N#CCC1(CNC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)CC1 431178592 JZZXJVIIKJDEJK-AAXDQBDMSA-N 317.345 -0.041 30 20 DBED C[C@H](C(=O)NC1(C#N)CCC1)N(C)CC(=O)N1CCOCC1 530334312 BGSLFVAHFHHEAP-GFCCVEGCSA-N 308.382 -0.272 30 20 DBED N#C[C@]1(NC(=O)CCn2nnc3ccccc3c2=O)CCOC1 547490400 LSKXRJLTDXSTJS-OAHLLOKOSA-N 313.317 -0.020 30 20 DBED C=CCCOCCNC(=O)C(=O)NC[C@@H](C)S(C)(=O)=O 557722780 JXAUZPJGBHXQMA-SNVBAGLBSA-N 306.384 -0.755 30 20 DBED CCN(C(=O)Cn1cc(C#N)ccc1=O)[C@H]1CCS(=O)(=O)C1 565490665 JWXZREQYYYTIGT-LBPRGKRZSA-N 323.374 -0.244 30 20 DBED CCCN1C[C@@H](CNc2c(C#N)c(=O)n(C)c(=O)n2C)CC1=O 570790928 PILQRSPVUWXOKE-SNVBAGLBSA-N 319.365 -0.374 30 20 DBED N#C[C@H]1CN(S(=O)(=O)NCCCC2(O)CCC2)CCO1 580843911 ISLUHMURGQAXLP-NSHDSACASA-N 303.384 -0.260 30 20 DBED CC[C@H]1CN(C(=O)C(=O)NC2CCN(CC#N)CC2)CCO1 588124775 KAEQGZFUTMJDSP-ZDUSSCGKSA-N 308.382 -0.272 30 20 DBED CC(C)[C@H](CNS(=O)(=O)N1CCO[C@@H](C#N)C1)C(=O)O 593945663 VYKQAHGSVSKMPX-UWVGGRQHSA-N 305.356 -0.598 30 20 DBED Cc1nn(CC(=O)NCC2CCN(CC#N)CC2)c(=O)n1C 594302502 POXUUJMLZXXDRP-UHFFFAOYSA-N 306.370 -0.758 30 20 DBED C[C@@H]1CCN(C(=O)C(=O)Nc2ccn(CCC#N)n2)C[C@@H]1CO 598664436 GOZAWZRJFKOSKT-VXGBXAGGSA-N 319.365 0.212 30 20 DBED CNC(=O)[C@@H]1CCC[C@@H]1Nc1c(C#N)c(=O)n(C)c(=O)n1C 611221850 CQVIXSIEMNQYPR-SCZZXKLOSA-N 305.338 -0.718 30 20 DBED C=C[C@H](O)C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 669292234 KNOCFHPTFDSYNU-NSHDSACASA-N 315.351 -0.805 30 20 DBED C#CCCS(=O)(=O)NCC1CCN(S(C)(=O)=O)CC1 711137527 KXRAMQSYBFVCIX-UHFFFAOYSA-N 308.425 -0.399 30 20 DBED C#Cc1ccc(C(=O)NCCN2CCS(=O)(=O)CC2)cn1 728861925 WWUOQFAGLWRGFO-UHFFFAOYSA-N 307.375 -0.477 30 20 DBED C=CCN(CC=C)C(=O)COC(=O)Cn1ccc(O)nc1=O 729829971 VQUDLPUEBRBZLW-UHFFFAOYSA-N 307.306 -0.307 30 20 DBED CNC(=O)CNC(=S)NN=Cc1cc(C(F)(F)F)n[nH]1 799479662 AZMPBJBRIARMFN-UHFFFAOYSA-N 308.289 -0.028 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@H]1CCN(CCOC)C1)[C@H]1CCCO1 804901704 YNAODMUDXYCSRH-MELADBBJSA-N 323.393 -0.880 30 20 DBED Cc1cc(C)n2nc(C(=O)N[C@@H]3CCCN(O)C3=O)nc2n1 820471208 PLZDGIXPGFNQGH-SECBINFHSA-N 304.310 -0.149 30 20 DBED COC(=O)[C@H](CC(=O)O)NC(=O)C#Cc1ccc2c(c1)OCO2 831067449 RQFADFAIEVYASG-JTQLQIEISA-N 319.269 -0.101 30 20 DBED CNS(=O)(=O)c1csc(C(=O)N[C@@H]2CNC[C@@H]2C#N)c1 834480557 RZFJQAWHNWQQAN-IONNQARKSA-N 314.392 -0.502 30 20 DBED C#CCN(CC(=O)N[C@H]1CC(=O)N(C)C1=O)C(=O)OC(C)(C)C 854381680 PFVDLZMQILAXGI-JTQLQIEISA-N 323.349 -0.270 30 20 DBED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NC/C=C\CO 855401932 SQKPUMYFOFGPRN-ARJAWSKDSA-N 323.374 -0.220 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H]3NCC[C@H]32)C1=O 877282255 QBYKEKUGLWCVOT-GHMZBOCLSA-N 320.349 -0.684 30 20 DBED C=CCN1CCC(NC(=O)C(=O)N(CC)[C@@H]2CCNC2)CC1 884642282 FYDVONSBIYSQQZ-CQSZACIVSA-N 308.426 -0.037 30 20 DBED C#CC[C@H](CCOC)Nc1nc2c([nH]1)c(=O)n(C)c(=O)n2C 894828164 LNMUIOIFFYDHJB-SECBINFHSA-N 305.338 -0.199 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](N(C)C(=O)c2cc(C(N)=O)c[nH]2)C1 939398728 ZJGLCZRYCQHTDS-KOLCDFICSA-N 317.349 -0.054 30 20 DBED COc1cc(C(=O)NC[C@H]2CN(C(=O)[C@H](C)C#N)CCO2)on1 944557476 WTYGFHMASMBJHV-ZJUUUORDSA-N 322.321 -0.200 30 20 DBED C[C@@H]1C[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)CCN1CC#N 948011229 GWTOLMFMVDBCHA-MNOVXSKESA-N 307.354 -0.627 30 20 DBED N#CCN1CCN(C(=O)Cn2nnc(-c3ccco3)n2)CC1 949039564 OUUAYOBPFVPNHR-UHFFFAOYSA-N 301.310 -0.399 30 20 DBED N#CCN1CCOC2(CCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)C1 949472641 KPMCXRDFOIUVAJ-NEPJUHHUSA-N 306.366 -0.675 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2CCN2C(=O)[C@H](O)C(C)C)nn1 950053668 YTFWMGHNSZXALN-WCQYABFASA-N 321.381 -0.188 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@H]2CNC(=O)[C@H]2C[C@H]2C(N)=O)[nH]1 952162057 PNQFRPIMDJJWTO-AXFHLTTASA-N 315.333 -0.662 30 20 DBED CN(C(=O)c1ncn(C)n1)C1CN(C(=O)c2c[nH]c(C#N)c2)C1 954211684 MYDHIKZXYVNXOP-UHFFFAOYSA-N 313.321 -0.389 30 20 DBED C[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1CNC(=O)c1nnn(C)n1 959466318 FATHKXNLIOEJIO-CMPLNLGQSA-N 316.365 -0.552 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC2(CN(C(C)=O)CCO2)C1 965259616 COIWKKHTHDFLCD-AWEZNQCLSA-N 305.378 -0.456 30 20 DBED CC[C@H](C(=O)N1CC2(CN(C(=O)[C@H](C)C#N)CCO2)C1)N(C)C 965475996 ZTBGSGXUNWVEKR-CHWSQXEVSA-N 322.409 -0.074 30 20 DBED C=CCCN1C[C@H]2CC[C@H]1CN2C(=O)CN1CC(=O)NC1=O 971928708 OZROAMDSGUXGDY-NWDGAFQWSA-N 306.366 -0.211 30 20 DBED C=CCn1cc(C(=O)N2C[C@H]3CCN(C(=O)COC)C[C@H]32)nn1 972220114 RJOXLBQYVOJVKQ-DGCLKSJQSA-N 319.365 -0.217 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)C(N)=O)C2)nc1 983200714 XCJWRGOIRKNHNR-NSHDSACASA-N 300.318 -0.874 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)Cn3cnnn3)C[C@H]2C1 986594437 JVUUVXOIGYWDPZ-UTUOFQBUSA-N 317.353 -0.860 30 20 DBED N#Cc1cc(C(=O)N[C@H]2CCN(C(=O)C(F)F)C[C@H]2O)c[nH]1 991402402 SMTPDKMZGWYTNN-VHSXEESVSA-N 312.276 -0.157 30 20 DBED N#Cc1cc(C(=O)N2CC(NC(=O)C34CCN(CC3)C4)C2)c[nH]1 996469850 OPUDQOMUDXYASO-UHFFFAOYSA-N 313.361 -0.077 30 20 DBED C[C@]1(CC(=O)N2CCC(NCC#N)CC2)CCS(=O)(=O)N1 997210106 HKDHEWVBWGRQOU-CYBMUJFWSA-N 314.411 -0.438 30 20 DBED N#CCN[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 999146818 XWTBVGBMHSLDCC-VXGBXAGGSA-N 316.365 -0.133 30 20 DBED C=CCn1cc(C(=O)N2CC(CNC(=O)[C@@H]3CCOC3)C2)nn1 1001135698 PQITUZJDUZKGSU-GFCCVEGCSA-N 319.365 -0.311 30 20 DBED CCN1CCO[C@H](C(=O)NCC2CN(C(=O)C#CC3CC3)C2)C1 1002290327 JYFKYAZACSDFEW-HNNXBMFYSA-N 319.405 -0.305 30 20 DBED CN(C[C@@H]1CCCN1C(=O)CC(N)=O)C(=O)c1c[nH]c(C#N)c1 1002291790 DIHJTVITEPSIAD-LBPRGKRZSA-N 317.349 -0.175 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCN(Cc2nnn(C)n2)C1 1008561558 YWEPNNPSBSZXDB-XQQFMLRXSA-N 320.397 -0.118 30 20 DBED C=C(C)CN1CCC[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 1008730185 OQQPKYYHLOCRHH-LBPRGKRZSA-N 320.393 -0.146 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCN(C(=O)C[C@H]3CCNC3=O)C2)C1 1019364732 LAMZGUUPUSNTIC-NWDGAFQWSA-N 318.377 -0.267 30 20 DBED C#CCN[C@H]1CCN(C(=O)c2cn(C[C@@H]3CCOC3)nn2)C1 1019578073 USOCFONCZLERBW-STQMWFEESA-N 303.366 -0.248 30 20 DBED C=CCn1cc(C(=O)N[C@H]2C[C@H](NCc3nncn3C)C2)nn1 1020700063 GWQCACGZJUTVEH-XYPYZODXSA-N 316.369 -0.357 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)c3cnco3)C[C@H]2O)[nH]1 1023437585 WGWZDYLHGRSEOK-GHMZBOCLSA-N 315.289 -0.510 30 20 DBED CC(=O)N1CCO[C@@H](C(=O)NC[C@@H]2CCCCN2CC#N)C1 1024785279 GYKXWXRZWLBCLJ-UONOGXRCSA-N 308.382 -0.272 30 20 DBED CC#CCN1[C@H]2CC[C@H]1CN(C(=O)CN1CCN(C)C(=O)C1)C2 1029363771 BBLDRNMYXGYUDD-GJZGRUSLSA-N 318.421 -0.541 30 20 DBED C[C@@H](c1nnnn1C)N1CC(NC(=O)c2c[nH]c(C#N)c2)C1 1030234954 KXCBACVJELTRNZ-QMMMGPOBSA-N 300.326 -0.415 30 20 DBED CC#CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)N1C(=O)CCC1=O 1032431020 NGYHHSXZZLVOJH-AGIUHOORSA-N 303.362 -0.168 30 20 DBED C#Cc1cncc(C(=O)N[C@H]2[C@H]3C[C@H]2N(Cc2nnnn2C)C3)c1 1037583239 WAIKAYJSSJDXPZ-GUTXKFCHSA-N 323.360 -0.411 30 20 DBED C#CCN1CC[C@@H]1CNC(=O)[C@H]1COCCN1CC(F)F 1038552073 GNCZMPQEICNXHN-VXGBXAGGSA-N 301.337 -0.224 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@@](O)(CNC(=O)c2ncn(C)n2)C1 1039633866 ZSVUEMNBHBXKMX-OAHLLOKOSA-N 321.381 -0.280 30 20 DBED CC(C)C#CC(=O)NC[C@@]1(O)CCN(C(=O)c2ccnn2C)C1 1039664532 RVLROLAXOGNPLZ-INIZCTEOSA-N 318.377 -0.227 30 20 DBED C#CCOCCC(=O)NC[C@]1(O)CCN(C(=O)[C@H]2C[C@@H]2C)C1 1039722517 WWQMMPRZQXGKKX-HEHGZKQESA-N 308.378 -0.238 30 20 DBED N#Cc1ccc(N2CCO[C@@H]3CCN(C(=O)C(N)=O)C[C@H]32)nc1 1040001872 WKAQXWQJMSGZHG-VXGBXAGGSA-N 315.333 -0.755 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)Cc2cncs2)C1 1040127397 IJKKPYIYLRPVDV-QMTHXVAHSA-N 322.390 -0.075 30 20 DBED N#Cc1nccc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC3(F)F)C2)n1 1041012416 SAUWQLJPNHXZST-DJLDLDEBSA-N 309.276 -0.331 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)C=C(C)C)C1 1041324418 YVRDBIPFIVNGAI-AWEZNQCLSA-N 319.405 -0.260 30 20 DBED C=CCCCC(=O)N1CC(O)(CNC(=O)CN2CCCC2=O)C1 1041410173 KETGVYKGTSBJIF-UHFFFAOYSA-N 323.393 -0.345 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)[C@H](CC)OC)C1 1041914059 TWLIDNPDMLTFOM-NEPJUHHUSA-N 312.366 -0.861 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)C2=COCCC2)C1 1042040577 VDHPXANWXDAKBU-UHFFFAOYSA-N 310.350 -0.427 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)c2cc(C#N)c[nH]2)C1 1042400657 GANZNLCHCLRATB-SECBINFHSA-N 301.306 -0.651 30 20 DBED CO[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1NC(=O)[C@H]1CCCO1 1042749214 PVXNAFAXDLRWIP-JHJVBQTASA-N 317.349 -0.153 30 20 DBED CO[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1NC(=O)[C@H]1CCOC1 1042779209 IZOLMYLREZANJD-CYZMBNFOSA-N 317.349 -0.295 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)Cn2cncc2C)C1 1043910362 ABPQXUISKAMLHP-UHFFFAOYSA-N 306.366 -0.153 30 20 DBED C[C@@]1(C(=O)NCC2(O)CN(C(=O)C#CC3CC3)C2)CCOC1 1045298503 MFDNNMVMYGFCLN-OAHLLOKOSA-N 306.362 -0.484 30 20 DBED Cn1cc(C(=O)N2CCN([C@@H]3CCN(CC#N)C3)CC2)nn1 1046029545 WNGPRZPGCGVLCZ-GFCCVEGCSA-N 303.370 -0.829 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)Cc2cnc[nH]2)C1 1047188711 UCRVBGSAFFFONQ-NSHDSACASA-N 322.365 -0.767 30 20 DBED CC#CCN1C[C@H]2C[C@@H](NC(=O)CN3C(=O)CNC3=O)C[C@H]1C2 1047198299 ZJTNTOUFNXCKDA-YNEHKIRRSA-N 318.377 -0.469 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)Cc2nc(C3CC3)nn2C)C1 1047634301 BQTWWTIQQSZBFS-STQMWFEESA-N 317.393 -0.628 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CN(CC(=O)N3CCOCC3)C[C@@H]2C1 1048728176 WMWGEDWKAPGULW-MELADBBJSA-N 320.393 -0.605 30 20 DBED C#CCCCC(=O)N(C)[C@H]1CN(C(=O)Cn2cncn2)C[C@@H]1O 1048753809 GRFQTVHNFBMXKW-STQMWFEESA-N 319.365 -0.888 30 20 DBED CN(C(=O)C#CC1CC1)[C@H]1CN(C(=O)c2cncnc2)C[C@@H]1O 1048821352 KXNYOXMRUZWTPN-KBPBESRZSA-N 314.345 -0.466 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCN(C)C2)C1 1048874243 ULBLJQPNWRBHOC-ILXRZTDVSA-N 321.421 -0.372 30 20 DBED C#Cc1cncc(C(=O)N2C[C@@H]3CN([C@@H](C)C(N)=O)C[C@@H]3C2)c1 1049048070 YQRUUDIDWPNBBX-TUKIKUTGSA-N 312.373 -0.060 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)c1nc(OC)cc(OC)n1 1050980183 MXSVPCIFGDLKNS-NSHDSACASA-N 320.349 -0.442 30 20 DBED Cc1ccnc2nc(C(=O)NC[C@H]3COCCN3CC#N)nn12 1051234275 HXKBWYPVFPSBQP-NSHDSACASA-N 315.337 -0.613 30 20 DBED C=CCCN1CCOC[C@H]1CNC(=O)c1ccc(=O)n(C)n1 1051237618 WYQYVESYWZTGSE-GFCCVEGCSA-N 306.366 -0.213 30 20 DBED Cn1nncc1CNC[C@H]1CN(C(=O)C#CC2CC2)CCO1 1051609504 VGAATPBCTGKTAH-AWEZNQCLSA-N 303.366 -0.455 30 20 DBED CC#CCN1CCC[C@@H](NC(=O)CN2CCC(=O)NC2=O)CC1 1052845386 WZWCNGWGPKTUAK-CYBMUJFWSA-N 320.393 -0.078 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)[C@@H]1CN(CC)CCO1)CCO2 1053538309 XYBJQCRCOSACNG-HNNXBMFYSA-N 321.421 -0.356 30 20 DBED C=CCN1CC2(C1)CN(C(=O)c1ccc(C(N)=O)cn1)CCO2 1053548959 NPTSZCOQAWIQSL-UHFFFAOYSA-N 316.361 -0.107 30 20 DBED C=C[C@H](CC)CC(=O)N1CCC[C@](CO)(NC(=O)C(N)=O)C1 1056090317 COLIBYAOOUELQT-ABAIWWIYSA-N 311.382 -0.456 30 20 DBED N#Cc1nccc(N2C[C@H]3C(NC(=O)c4c[nH]c(=O)cn4)[C@@H]3C2)n1 1056391164 YYSOYJKLPPHWFY-RKDXNWHRSA-N 323.316 -0.704 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)c1ccncc1 1056795714 ITBVROUVLNWSBE-UHFFFAOYSA-N 307.350 -0.165 30 20 DBED N#Cc1nccc(N2CCCN(C(=O)Cn3nccn3)CC2)n1 1057185851 BZIYCQLKNHPBFK-UHFFFAOYSA-N 312.337 -0.321 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)[C@H](O)C(C)C 1057193869 RGLZCJVLDZFKDO-CYBMUJFWSA-N 302.371 -0.857 30 20 DBED N#Cc1ccc(NC2CCN(C(=O)Cn3cnnn3)CC2)nn1 1057282251 CAEWVRHZQBVHIQ-UHFFFAOYSA-N 313.325 -0.562 30 20 DBED CN1CCO[C@@H](C(=O)N[C@H]2C[C@@H](Nc3cnc(C#N)cn3)C2)C1 1059587313 PKJSCQXRSXBFJA-NTZNESFSSA-N 316.365 -0.262 30 20 DBED N#Cc1ccc(N[C@H]2C[C@@H](NC(=O)[C@@H]3CCC(=O)NC3)C2)nn1 1059878747 HQUMILGCDHDGNF-JLLWLGSASA-N 314.349 -0.066 30 20 DBED N#Cc1ccc(N[C@H]2C[C@@H](NC(=O)[C@H]3CCC(=O)NC3)C2)nn1 1059878748 HQUMILGCDHDGNF-ZMLRMANQSA-N 314.349 -0.066 30 20 DBED C=CCCC(=O)NCC[C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 1060258717 LSSKMNGVYIVJTL-RYUDHWBXSA-N 308.382 -0.011 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CC[C@H](NC(=O)CNC(N)=O)CC1 1060658877 KVXFSBTYOQCYRZ-GMTAPVOTSA-N 309.370 -0.394 30 20 DBED N#CCSCC(=O)N1CCOC[C@H]1CNC(=O)c1cnco1 1061730188 OMLGUAJICPXRBY-SNVBAGLBSA-N 324.362 -0.111 30 20 DBED C=CCOCC(=O)NC1(CNC(=O)CC(=O)N(C)C)CCC1 1063086490 ICRUUCCBSZMTGE-UHFFFAOYSA-N 311.382 -0.178 30 20 DBED C#CCO[C@H](C)C(=O)NC1(CNC(=O)c2cnn(C)n2)CCC1 1063640302 NNTNFIBNLSIJQH-LLVKDONJSA-N 319.365 -0.378 30 20 DBED C=C[C@](C)(O)CC(=O)NC1(CNC(=O)c2nnn(C)n2)CCC1 1064047324 NJWGRDFUJJQSJX-ZDUSSCGKSA-N 322.369 -0.694 30 20 DBED Cn1nnc(C(=O)N[C@]2(C)CCN(c3cncc(C#N)n3)C2)n1 1065316531 FSIUXKTWBIDYIV-CYBMUJFWSA-N 313.325 -0.729 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@H]1CN(C(=O)c2cnco2)CCO1 1065386648 ZBIGOJJCVYUNMB-NHYWBVRUSA-N 323.349 -0.041 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CN(C(=O)CCc2cnn[nH]2)CCO1 1065631833 DHGOVBAGMXUCOQ-CMPLNLGQSA-N 320.353 -0.759 30 20 DBED N#Cc1cnc(N2C[C@@H]3CCCN(C(=O)C(N)=O)[C@@H]3C2)cn1 1066245634 SGRSGPUPBYPPND-GXSJLCMTSA-N 300.322 -0.739 30 20 DBED N#Cc1nccnc1NC[C@@H]1CN(C(=O)c2nc[nH]n2)CCO1 1066638334 QXUUSZFOLXHMDY-SECBINFHSA-N 314.309 -0.581 30 20 DBED C=CCOCC(=O)N(C)CCCN(C)C(=O)CNC(=O)NC 1067002234 ODTGHPQOCRUFIY-UHFFFAOYSA-N 314.386 -0.575 30 20 DBED N#Cc1nccc(N2C[C@@H](O)[C@@H](CNC(=O)c3cc[nH]c3)C2)n1 1067695690 NYTUPDXWOZRPLG-NWDGAFQWSA-N 312.333 -0.097 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCCN(C)C(=O)[C@@]1(C)CNC(=O)C1 1067817694 CQXSZRWHAPAYCO-XHDPSFHLSA-N 308.382 -0.021 30 20 DBED N#Cc1c[nH]ccc1=NCC1CC(NC(=O)[C@@H]2CCC(=O)N2)C1 1067858877 XZDTXNMCGWPBHH-OVGLSYRBSA-N 313.361 -0.040 30 20 DBED CC(C)C#CC(=O)N[C@@H]1COC2(C1)CN(C(=O)c1cnon1)C2 1068859796 WCLDLKBDZKBMBG-NSHDSACASA-N 318.333 -0.171 30 20 DBED N#CCN1CCn2ncc(CNC(=O)[C@@H]3CC[C@H]3C(N)=O)c2C1 1069869690 YEULJPSOCSBVBL-VXGBXAGGSA-N 316.365 -0.650 30 20 DBED C#CCN1CCn2ncc(CNC(=O)[C@H]3CCNC3=O)c2C1 1069869816 DZSOZJYRRQXINB-LBPRGKRZSA-N 301.350 -0.916 30 20 DBED CC#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@]2(F)CCOC2)C1 1070007811 BCIGOQZNMKYDGT-VNHYZAJKSA-N 321.356 -0.229 30 20 DBED N#CCN1CCNC(=O)CCN(C(=O)Cc2cnoc2)CC1 1070989675 CHXKDQNXGKWFIA-UHFFFAOYSA-N 305.338 -0.609 30 20 DBED C#CCN1CCN([C@H]2CCCN(C(=O)[C@@H](C)C#N)C2)C(=O)C1 1071259121 YXNSTCMJUAKHFY-KBPBESRZSA-N 302.378 -0.086 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](NC(=O)c2cnco2)[C@H](C)C1 1071940104 SYOKNSXFZRTSSY-GHMZBOCLSA-N 318.333 -0.609 30 20 DBED C[C@@H](CCNC(=O)C#CC1CC1)NC(=O)CN1CCOCC1 1076423547 NWQJYOZFCPFXNC-ZDUSSCGKSA-N 307.394 -0.257 30 20 DBED C#CCO[C@H](C)C(=O)NCC[C@H](C)NC(=O)C(C)(C)C(N)=O 1076510237 HGNLKOVLMFXCAQ-WDEREUQCSA-N 311.382 -0.453 30 20 DBED C#CCCCC(=O)N[C@@H](C)CCNC(=O)CS(=O)(=O)NC 1076623776 LCFDLXWONFWPPJ-NSHDSACASA-N 317.411 -0.650 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)[C@@H]1[C@H]2COC[C@H]21 1077903676 NYBOBFFAFIDZPV-UUIJZJDISA-N 321.377 -0.971 30 20 DBED C=CCC1(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)CC(N)=O)C2)CCC1 1081368889 ULGTVPCOQQBGMV-NWDGAFQWSA-N 323.393 -0.456 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)c2cnn[nH]2)C[C@@H]1O 1081439170 MPZFIMGWRTYHAK-PWSUYJOCSA-N 305.338 -0.843 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2ccn(C)n2)C1 1081496387 JMBVLUMJJXHQGC-YPMHNXCESA-N 322.365 -0.828 30 20 DBED O=C(CN1C[C@H]2[C@@H](C1)OCCN2C(=O)C#CC1CC1)N1CCC1 1083078146 PELBSVHJKNNBGU-LSDHHAIUSA-N 317.389 -0.456 30 20 DBED C=CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)Cc1cn(CC)nn1 1083150648 ISSARCJYXIGBEA-UONOGXRCSA-N 305.382 -0.062 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)CN2C(=O)CC(C)(C)C2=O)C1 1083463402 HTZDCCKKHRULRT-NEPJUHHUSA-N 323.393 -0.491 30 20 DBED CC(=O)N1CCOC[C@H]1C(=O)N1CC[C@H]2CCN(CC#N)[C@H]2C1 1085097482 JVLCYOPYZFNTJJ-ILXRZTDVSA-N 320.393 -0.320 30 20 DBED C=CCn1cc(C(=O)N(C)C[C@H]2CCN2[C@@H](C)C(N)=O)nn1 1085860841 JMNNYJRJSRSPKT-WDEREUQCSA-N 306.370 -0.516 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2cn(C)nc2COC)[C@H](O)C1 1090371570 LRIZYUCXHTWSPA-UKRRQHHQSA-N 320.393 -0.245 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2cccc(=O)n2C)[C@@H](O)C1 1090552752 FWHZHQOMMSLTLE-OCCSQVGLSA-N 303.362 -0.426 30 20 DBED CS[C@@H](C)C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1091065920 JOZMDPRLXNPKMR-GDPRMGEGSA-N 307.379 -0.235 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CN(c2ncc(C#N)cc2F)C[C@@H]1O 1091078956 HDJYNJIPDKWZJQ-AXTRIDKLSA-N 303.297 -0.082 30 20 DBED CNC(=O)NCC(=O)NC[C@H]1C[C@@H](Nc2nccnc2C#N)C1 1091411238 WHUZSZQLPVPGON-AOOOYVTPSA-N 317.353 -0.416 30 20 DBED C[C@@]1(CNC(=O)C(N)=O)CN(c2ccncc2C#N)CCO1 1092775361 WHLYJIWUDCHSRW-CQSZACIVSA-N 303.322 -0.850 30 20 DBED C#CCN1CC(n2cc(CNC(=O)c3cc[n+]([O-])cc3)nn2)C1 1094274574 OYRORVGADYCGPJ-UHFFFAOYSA-N 312.333 -0.669 30 20 DBED Cc1cc(C#N)nc(NCCCNC(=O)[C@H]2CNC(=O)N2)n1 1094751427 ODDYLKJYTMKOJC-SNVBAGLBSA-N 303.326 -0.744 30 20 DBED N#Cc1ccc(NCCCNC(=O)CN2CCOCC2=O)nn1 1094859767 FFWYULUKPDTGBO-UHFFFAOYSA-N 318.337 -0.875 30 20 DBED CNC(=O)CC(=O)N1CC[C@@H](N(C)c2cncc(C#N)n2)C1 1095114124 ZOTINXVOKPWAEN-LLVKDONJSA-N 302.338 -0.479 30 20 DBED N#Cc1nc(=N[C@H]2CCCN(C(=O)CCCC(N)=O)C2)cc[nH]1 1095300540 CGLNEKQCUGPDPY-NSHDSACASA-N 316.365 -0.171 30 20 DBED CN(CCCNC(=O)C[C@H]1CCC(=O)N1)c1cnc(C#N)cn1 1095591964 WYHZFMMMHYQZIO-LLVKDONJSA-N 316.365 -0.041 30 20 DBED CC[C@@H](NC(C)=O)C(=O)N[C@H]1CCN(c2ccc(C#N)nn2)C1 1096487043 ZXZCCVGVKKYGRS-QWHCGFSZSA-N 316.365 -0.042 30 20 DBED C#CCCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C[C@@H]1NC(=O)NC1=O 1097244619 HBSBUZHZAOYVHE-WYUUTHIRSA-N 304.350 -0.671 30 20 DBED CCN1CCO[C@H](C(=O)NC[C@H](C)Nc2cncc(C#N)n2)C1 1097874281 FSMNFTPBKCJPLJ-AAEUAGOBSA-N 318.381 -0.014 30 20 DBED Cc1cc(=N[C@H](C)CNC(=O)[C@@H]2CCC(=O)N2)c(C#N)c[nH]1 1097978005 MOGBJYIBJRKUEE-PWSUYJOCSA-N 301.350 -0.121 30 20 DBED CCc1nc(C#N)cc(N[C@@H](C)CNC(=O)c2nnn(C)n2)n1 1098199500 AVVGIZBAKFFWHK-QMMMGPOBSA-N 315.341 -0.335 30 20 DBED Cn1ncc(C(=O)N2CC[C@@H](n3cc(CNCC#N)nn3)C2)n1 1098746182 RJTNQHXXRAOJBD-LLVKDONJSA-N 315.341 -0.893 30 20 DBED C#CCCN1C[C@H]2[C@@H]3CC[C@@H](CN3C(=O)CNC(N)=O)[C@H]2C1 1099400439 DELJIMPPVKPDDK-DGAVXFQQSA-N 304.394 -0.153 30 20 DBED CNC(=O)NCC(=O)NCC[C@H](C)Nc1ccc(C#N)nn1 1099748137 QIFXSCZPDJUKCB-VIFPVBQESA-N 305.342 -0.416 30 20 DBED C#CCCCC(=O)N[C@@H]1CCN(CC(=O)N2CCC2)C[C@@H]1O 1099806719 FPEKSFNJTYOJMK-KGLIPLIRSA-N 307.394 -0.426 30 20 DBED C#CCCCC(=O)N[C@H]1CCN(Cc2nncn2C)C[C@H]1O 1099808024 ZYKFYTIQHDGIDL-QWHCGFSZSA-N 305.382 -0.330 30 20 DBED C=CCN1CC[C@@H](NC(=O)COCc2nccn2C)[C@H](O)C1 1099887586 HTYMRKWBPWYYRU-CHWSQXEVSA-N 308.382 -0.326 30 20 DBED CN(CCNC(=O)CCn1cncn1)c1ccnc(C#N)n1 1099934344 MUXXLYVTKZHTNZ-UHFFFAOYSA-N 300.326 -0.418 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)Cc2ccco2)[C@@H](O)C1 1100041557 KYDQVVNPLKYCBZ-KBPBESRZSA-N 321.377 -0.324 30 20 DBED C=CCCOCC(=O)N[C@@H]1CCN(CCn2cncn2)C[C@@H]1O 1100138871 LYCKCRDUIZBFSE-KGLIPLIRSA-N 323.397 -0.578 30 20 DBED C=CCNC(=O)CNC1CC(CNC(=O)Cc2ncc[nH]2)C1 1100787236 WFWPAXQOMPDLKY-UHFFFAOYSA-N 305.382 -0.261 30 20 DBED CN(CCNc1cncc(C#N)n1)C(=O)[C@@]1(C)CNC(=O)C1 1101877392 WKXHAGNDVQHKMO-CQSZACIVSA-N 302.338 -0.255 30 20 DBED CCS(=O)(=O)N(C)CC(=O)NC[C@@H]1CN(CC#N)C[C@H]1C 1102491859 MAGSMXFHTDJFJT-VXGBXAGGSA-N 316.427 -0.524 30 20 DBED COCC#CCN1C[C@@H](C)[C@H](CNC(=O)[C@@H]2CCC(=O)N2)C1 1102519644 DFEDDKAYEKETFK-MCIONIFRSA-N 307.394 -0.401 30 20 DBED C[C@@H](CNC(=O)[C@@H]1COC(=O)N1)CNc1ccc(C#N)nn1 1103945237 NEQVKIANRHEFAI-SCZZXKLOSA-N 304.310 -0.379 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(n2cc(CNCCOC)nn2)C1 1105224111 XRSVIOCFXOQMDQ-OAHLLOKOSA-N 323.397 -0.276 30 20 DBED C=CCCNCc1cn(C2CN(C(=O)[C@H]3COC(=O)N3)C2)nn1 1105225492 VPFIGJTVTHKFHF-GFCCVEGCSA-N 320.353 -0.565 30 20 DBED CN1CCC[C@@H]1C(=O)NC[C@H](O)CNc1cncc(C#N)n1 1105753961 CHVVYSWYCFOACG-VXGBXAGGSA-N 304.354 -0.669 30 20 DBED Cc1nc(C(=O)NC[C@H](O)CNc2ccc(C#N)nn2)co1 1105799284 ZHWLKVYTDPTTLQ-SNVBAGLBSA-N 302.294 -0.153 30 20 DBED C[C@@H]1CN(C(=O)c2cnn(C)c2)C[C@H]1CNCC(=O)NCC#N 1105808117 OWXKNIYAJGBUHT-VXGBXAGGSA-N 318.381 -0.642 30 20 DBED N#Cc1cncc(NC[C@H](O)CNC(=O)C[C@H]2COC(=O)C2)n1 1105820239 UTQNQYREUJCFIR-KOLCDFICSA-N 319.321 -0.810 30 20 DBED C[C@]1(C(=O)NC[C@H](O)CN=c2cc[nH]cc2C#N)CCOC1 1105938139 BSIPQNCFLRUOLY-DOMZBBRYSA-N 304.350 -0.309 30 20 DBED N#Cc1cncc(NC[C@H](O)CNC(=O)CC2=CCOCC2)n1 1106078981 SENYVQMPXIEUIX-ZDUSSCGKSA-N 317.349 -0.026 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](O)CNc1nccnc1C#N 1106124822 CKQIIGJWIUGXAM-LOWVWBTDSA-N 317.349 -0.172 30 20 DBED C#CCNC[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CCOC)C2)C[C@H]1C 1106198892 RQPCYJWRPCYWLI-QLFBSQMISA-N 321.421 -0.201 30 20 DBED C[C@@H]1CN(C(=O)c2cc(=O)n3[nH]cnc3n2)C[C@H]1CNCC#N 1106873346 ZQZOUPJWLHQSRO-NXEZZACHSA-N 315.337 -0.761 30 20 DBED C#CCN1CC(n2cc(CNC(=O)[C@H](OC)C3CC3)nn2)C1 1107165503 VZNKMZVCEROKPM-CQSZACIVSA-N 303.366 -0.191 30 20 DBED COCCOCCC(=O)NC/C=C\CN=c1cc[nH]c(C#N)n1 1107243108 PSDBXFFKULXVOQ-IHWYPQMZSA-N 319.365 -0.092 30 20 DBED N#Cc1nc(=NC/C=C\CNC(=O)[C@@H]2CC[C@@H]2C(N)=O)cc[nH]1 1107451294 KKZUYTPEJLMVIW-WQJDUCKJSA-N 314.349 -0.634 30 20 DBED C=CCN1CCO[C@@](C)(CNC(=O)[C@H]2CCS(=O)(=O)N2)C1 1108402416 DCDWZCXXNMHOLT-YPMHNXCESA-N 317.411 -0.929 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)[C@@H](OC)C(C)C)CC2=O)C1 1108569862 QOEMRSIDQDYOIO-WFASDCNBSA-N 307.394 -0.308 30 20 DBED C[C@@H](CNc1nccnc1C#N)NC(=O)[C@H]1C[C@H]1C(=O)N(C)C 1108701271 PRRLIXSTYNVMPU-GARJFASQSA-N 316.365 -0.011 30 20 DBED CS(=O)(=O)CC(=O)N[C@@H]1[C@H]2C[C@H]1N(c1ccc(C#N)nc1)C2 1109692716 CVAUDTJFBANGTR-MRCXROJRSA-N 320.374 -0.309 30 20 DBED CN1C[C@@H](C(=O)NCC2(N=c3cc[nH]cc3C#N)CC2)NC1=O 1110301840 PNSASZGKNWRNBG-LBPRGKRZSA-N 314.349 -0.541 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1nnnn1C 1110546032 JPMKIXJCIBXZRV-LPWJVIDDSA-N 318.381 -0.530 30 20 DBED CNC(=O)NCC(=O)NCC1(Nc2nccnc2C#N)CCC1 1111921205 ZJEBSCHYDGODTD-UHFFFAOYSA-N 317.353 -0.272 30 20 DBED C#CCN[C@@H]1CN(C(=O)CCNC(=O)NC)C[C@H]1C(F)(F)F 1112096547 SQBAIQQLXHRSNC-NXEZZACHSA-N 320.315 -0.082 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)[C@@H]2CN3CCC2CC3)CC1 1112857442 KZWCVGDUAUMIHE-CQSZACIVSA-N 319.409 -0.888 30 20 DBED CC#CCN1CCN(C(=O)[C@@H](CCC)S(N)(=O)=O)CC1 1113151842 SDKGOHLFRFSVMZ-GFCCVEGCSA-N 301.412 -0.389 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)c2[nH]nnc2C)CC1 1113182003 SNFHHYWPJCOPEK-LLVKDONJSA-N 304.354 -0.991 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)CN2CCC[C@@H]2C)CC1 1113344264 QSEHTZBSYOEGTD-AWEZNQCLSA-N 308.426 -0.083 30 20 DBED C[C@H](CNC(=O)[C@]1(C)CCC(=O)N1)N(C)c1nccnc1C#N 1113866612 FUYFEESJXMGCII-BMIGLBTASA-N 316.365 -0.042 30 20 DBED CCn1cc(C(=O)NC2[C@H]3CN(CC(=O)NCC#N)C[C@H]23)cn1 1114058177 RVTUXXXJMUOKMC-RYUDHWBXSA-N 316.365 -0.797 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)CC(=O)NCC)[C@H]2C1 1114170107 MNPPDXDZDZQTRE-FJJYHAOUSA-N 322.409 -0.750 30 20 DBED C#CCCCC(=O)N[C@H]1[C@@H]2CN(CCN3C(=O)CCC3=O)C[C@@H]21 1114202017 YUMJOYPDHUJBGJ-LAQFHYBYSA-N 317.389 -0.015 30 20 DBED CNC(=O)CC(=O)NCC1[C@H]2CN(c3ncccc3C#N)C[C@H]12 1114529756 DPHPWINSCLFPAJ-CHWSQXEVSA-N 313.361 -0.112 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)[C@]3(COC)CCOC3)[C@@H]2C1 1114630401 ZKVCSPBLMUHJII-CPUCHLNUSA-N 322.405 -0.264 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)Cc3cncn3C)[C@H]2C1 1115121195 MRJVULJTFJPNPH-FOLVSLTJSA-N 302.378 -0.341 30 20 DBED N#Cc1cc(NC(=O)C(=O)N2CC(CC(N)=O)C2)ccc1F 1116882364 VTNKXPQHBJABCR-UHFFFAOYSA-N 304.281 -0.030 30 20 DBED N#Cc1cccc(NC(=O)C(=O)NC[C@@H](O)COCC2CC2)n1 1118139772 VZKRHUPUJAHJMC-GFCCVEGCSA-N 318.333 -0.205 30 20 DBED C[C@@H](CN(C)C(=O)C(C)(C)C(N)=O)N=c1cc[nH]c(C#N)n1 1120200619 QWPLSPRKWVDOPV-VIFPVBQESA-N 304.354 -0.460 30 20 DBED N#Cc1cc(C(=O)NC[C@@H](CO)Nc2nccnc2C#N)c[nH]1 1121352935 JASLYNJNUITFLE-NSHDSACASA-N 311.305 -0.249 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)[C@H](C)OCC 1123974291 KLJSLWZJPNRZQK-MNOVXSKESA-N 314.386 -0.483 30 20 DBED C#Cc1cncc(C(=O)N(C)Cc2nnc3n2CCNC3=O)c1 1124001805 ZAYGZZLSFJGFFA-UHFFFAOYSA-N 310.317 -0.330 30 20 DBED CCO[C@@H](CC)C(=O)N(C)C[C@@H](O)CN=c1cc[nH]c(C#N)n1 1124136374 YQCWGAUPBLNWFI-RYUDHWBXSA-N 321.381 -0.184 30 20 DBED C=C[C@](C)(O)CC(=O)N(C)C[C@@H](O)CNc1nccnc1C#N 1124267780 YVJAWFDRUFUVMB-NHYWBVRUSA-N 319.365 -0.093 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)c1cncn1C 1124592831 QXHQNNGVXPNPJI-JTQLQIEISA-N 315.337 -0.951 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)c2nccnc2N)C1=O 1125034365 QHSIZOUCKMSHIL-SNVBAGLBSA-N 304.354 -0.835 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)c1coc(C)c1 1126214717 NFKYNBWTRUHVFG-UHFFFAOYSA-N 308.338 -0.081 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)CO[C@@H]2CCOC2)C1=O 1127143112 YXLLZOWLVWYERP-OLZOCXBDSA-N 311.382 -0.715 30 20 DBED N#Cc1ccc(N2CC=C(CNC(=O)CNC(N)=O)CC2)cn1 1127546675 CUKYPVFOLGSNBV-UHFFFAOYSA-N 314.349 -0.126 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@H](C)Cn1ccc(C)n1 1128194461 JSNTZFPEXQGANJ-TZMCWYRMSA-N 319.409 -0.329 30 20 DBED C#CCCN[C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@@H]1n1ccnn1 1129685165 OKINKKAQMBYZNM-KFWWJZLASA-N 316.409 -0.263 30 20 DBED N#Cc1ccc(CNCCNC(=O)C[C@@H]2NC(=O)NC2=O)s1 1129743904 YCKVOTKIEUICBR-JTQLQIEISA-N 321.362 -0.576 30 20 DBED N#CCN1CC[C@H](c2n[nH]cc2CNC(=O)C2(C(N)=O)CC2)C1 1130418176 NVOOASKNSHANJN-JTQLQIEISA-N 316.365 -0.396 30 20 DBED COCC#CCNCCNC(=O)c1ccc(=O)n(CCOC)c1 1130769242 ZLVCHQDLYMVEIU-UHFFFAOYSA-N 321.377 -0.536 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)CCc1cccnc1 1130920560 VWHLQQHSBOTQND-ZDUSSCGKSA-N 302.378 -0.142 30 20 DBED C[C@@H](C[C@H](C)NC(=O)CSCC#N)NCc1nnn(C)n1 1133735298 BXYPPQMMXFTWPQ-UWVGGRQHSA-N 311.415 -0.160 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCCNC[C@H](C)CS(C)(=O)=O 1134054353 GPMLYWAUZZARIL-XQQFMLRXSA-N 318.439 -0.036 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)C[C@@H](C)NCC#CCOC 1134130339 GPTSHRAAUDQRNM-KGLIPLIRSA-N 307.394 -0.351 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NCCNCC(=O)N(C)CC 1134812827 RFSMAYFLDVLKCN-ZDUSSCGKSA-N 312.414 -0.359 30 20 DBED COc1ccc(C(=O)NCCNCC(=O)NCC#N)cc1OC 1149654759 ZDPLUEQABAMOQJ-UHFFFAOYSA-N 320.349 -0.337 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)CCn2cnccc2=O)C1 1150519524 XKPXTTCFWFLVAQ-AWEZNQCLSA-N 318.377 -0.526 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1cccnc1N(C)C 1151026312 ZALVBBRGEIPAIY-LBPRGKRZSA-N 317.393 -0.395 30 20 DBED CC(C)Cn1nccc1C(=O)NCCCNCC(=O)NCC#N 1159067632 MWPOCRKMJNQFCZ-UHFFFAOYSA-N 320.397 -0.112 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)C[C@H]1CCC(=O)NC1 1159768709 BYGAJNGVIMBYSF-QWHCGFSZSA-N 322.409 -0.864 30 20 DBED C=CCNC(=O)NC(=O)CNCCCNC(=O)c1cccnn1 1169016184 OFXVJASEFLNBJJ-UHFFFAOYSA-N 320.353 -0.802 30 20 DBED C#CCNC(=O)CN1CCO[C@@H]2CCN(C(=O)C3(C)CC3)C[C@H]21 1177011979 HTTGHVRMYMZWRO-ZIAGYGMSSA-N 319.405 -0.162 30 20 DBED CNC(=O)NC(=O)CNCCCCCCNC(=O)[C@H](C)C#N 1178052024 AVAKUJBFLZGQIE-LLVKDONJSA-N 311.386 -0.132 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2c(C)ncn2C)C1 1183450778 ZKAYCKSRACOFIM-GFCCVEGCSA-N 303.366 -0.718 30 20 DBED C#CCNC[C@H]1CCN(C(=O)CN2CCOCC2=O)C[C@H]1C 1184588182 XCELYULFFQOJAW-ZIAGYGMSSA-N 307.394 -0.447 30 20 DBED C#CCNC(=O)CNC[C@@H]1CCN(C(=O)c2cnn[nH]2)C[C@@H]1C 1184723372 IKMDLIPSFVMGJH-RYUDHWBXSA-N 318.381 -0.758 30 20 DBED C=CCN(CC=C)C(=O)CN[C@@H]1CCN(C(=O)c2nc[nH]n2)C1 1186443871 CVIYQRCRKNQRMZ-GFCCVEGCSA-N 318.381 -0.191 30 20 DBED Cc1cc(C(=O)N2CC[C@H](N(C)CC(=O)NCC#N)C2)n[nH]1 1189116289 SZMAYQQCDAPKLS-NSHDSACASA-N 304.354 -0.496 30 20 DBED C#CCOCCC(=O)N1CC[C@H](N(C)CCN2CCNC2=O)C1 1190129509 VMGSXJSGZFRNQC-AWEZNQCLSA-N 322.409 -0.416 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)[C@]2(C)CCNC2=O)C1 1192327265 YSYYXFCPHZRANF-BLLLJJGKSA-N 322.409 -0.653 30 20 DBED C=CCCOCC(=O)N1CC[C@H](N(C)CC(=O)NC(N)=O)C1 1194381474 IFPFKOSGUGQAOV-NSHDSACASA-N 312.370 -0.693 30 20 DBED C=CCO[C@H](C)C(=O)N1CC[C@H](N(C)CC(=O)NCC#N)C1 1194396368 BJXWJHNJWDFPKM-OLZOCXBDSA-N 308.382 -0.250 30 20 DBED C#CCN(C)[C@@H]1CCN(C(=O)CCNC(=O)[C@@H]2CCCO2)C1 1194494313 REFCPDPYDAFOKV-KGLIPLIRSA-N 307.394 -0.162 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)c2nccnc2N)CC1 1195338311 LNGCMTCJBKQUPF-UHFFFAOYSA-N 318.381 -0.491 30 20 DBED CCOC1CC(C(=O)N2CCCN(CC(=O)NCC#N)CC2)C1 1195710021 KWKBBHUCXBLPJD-UHFFFAOYSA-N 322.409 -0.024 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H](CC)CCC)C1 1197253214 JJCPRZVJBUBYEY-MGPQQGTHSA-N 309.410 -0.277 30 20 DBED C#CCNC(=O)CC(=O)N1CCC(NCc2cncn2C)CC1 1200170767 ITATYSHUDDSPGM-UHFFFAOYSA-N 317.393 -0.360 30 20 DBED C#CCOCCC(=O)N1CCC(NCc2cnnn2C)CC1 1200513261 DAVNEZMFTKYAQT-UHFFFAOYSA-N 305.382 -0.064 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)CN2CCOCC2=O)CCCO1 1200696547 PRLYFEBMLFRYDT-CQSZACIVSA-N 323.393 -0.924 30 20 DBED Cc1nc(C(=O)N2CCCO[C@@H](CNCC#N)C2)c(=O)[nH]c1C 1200788257 YLOLLBKTLIZQLZ-LBPRGKRZSA-N 319.365 -0.269 30 20 DBED COCC#CCNC1CCN(C(=O)[C@H](C)S(C)(=O)=O)CC1 1201273923 ABPVKYLZSLTGAS-LBPRGKRZSA-N 316.423 -0.350 30 20 DBED C#CCNC(=O)[C@H](C)NCC1CCN(C(=O)[C@H](O)C(C)C)CC1 1205165732 VHKINLVRVOVYRH-DZGCQCFKSA-N 323.437 -0.031 30 20 DBED COCC#CCNCC1CCN(C(=O)[C@H]2CCC(=O)NC2)CC1 1205594377 QXHDMGRASVOOLM-HNNXBMFYSA-N 321.421 -0.009 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)C2=COCCO2)[C@H](C)C1 1205858808 JXLJEHTUNWVANG-VXGBXAGGSA-N 309.366 -0.387 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)c2cnccn2)C1 1207108325 LHVMMMJZWQFLDT-CHWSQXEVSA-N 315.377 -0.191 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)C[C@H]2CCNC2=O)C1 1208325324 MISRRTQVRNHVFA-CHWSQXEVSA-N 322.409 -0.605 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)Cc2ccon2)C[C@H]1C 1214373656 WQNGIXLKTQLUCM-DGCLKSJQSA-N 306.366 -0.044 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCC(CNC(=O)CNC(C)=O)CC1 1222257895 DLYGXLRUPYJFER-GFCCVEGCSA-N 324.425 -0.359 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)[C@@H]2CN(C)C[C@@H]2C)CC1 1229185469 MNKZNDYCSUTPBU-DZGCQCFKSA-N 320.437 -0.486 30 20 DBED CC#CCN[C@@H]1CCCC[C@H]1NC(=O)Cn1c(O)nnc1O 1229949838 KXOKGRIQUOUFJG-GHMZBOCLSA-N 307.354 -0.270 30 20 DBED N#CCN1CCS(=O)(=O)[C@H](CCNC(=O)Cc2ccc[nH]2)C1 1230521082 KLTJVDYCPBINDV-CYBMUJFWSA-N 324.406 -0.314 30 20 DBED C[C@@H](C(=O)N(C)C[C@@H]1CCN1CC(=O)NCC#N)n1cncn1 1233750572 GPEDYXFSKPZYKZ-RYUDHWBXSA-N 319.369 -0.988 30 20 DBED C=CCn1c(C)nnc1S(=O)(=O)CCCS(C)(=O)=O 1252239322 ZGXPSWQSFQGKEV-UHFFFAOYSA-N 307.397 -0.019 30 20 DBED C[C@@H](O)C[C@H]1COCCN1C(=O)C(=O)Nc1cnn(CC#N)c1 1255532080 UCXIIHZOTLMIAA-PWSUYJOCSA-N 321.337 -0.657 30 20 DBED O=C(NCC#Cc1ccccc1)C(=O)N1CCn2cnnc2C1 1321400042 PCYXZSSYGBPKGX-UHFFFAOYSA-N 309.329 -0.212 30 20 DBED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)NCC(=O)N1CCCC1 1324112569 NRLIUERTERMRRY-TZMCWYRMSA-N 323.393 -0.178 30 20 DBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCO[C@@H](C#N)C1 1324183027 VWXGJIPLXSGINW-AVGNSLFASA-N 307.350 -0.165 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)N2CC(F)(F)C(F)(F)C2)CCO1 1324889929 JNDRBZYYGWWATJ-ZETCQYMHSA-N 309.219 -0.150 30 20 DBED C#CC1CCN(C(=O)C(=O)NCCN(C)CCCOC)CC1 1326133850 BWXLRTYWRBORNT-UHFFFAOYSA-N 309.410 -0.057 30 20 DBED C=CCOCCNC(=O)C(=O)N1CCC[C@H]1C(=O)NC1CC1 1327094961 JOHAWXYSJJFMMQ-LBPRGKRZSA-N 309.366 -0.425 30 20 DBED CC1(C#N)CCN(C(=O)C(=O)N2CC(N3CCCC3=O)C2)CC1 1335175742 HKZUFCVOESMXQQ-UHFFFAOYSA-N 318.377 -0.028 30 20 DBED CC[C@H](O)CCNC(=O)NCCN/C(O)=C1/N=CC=CC1=O 1340494722 MSQQCHHFPYPCKP-AGKQBQDBSA-N 310.354 -0.027 30 20 DBED COCCNC(=O)[C@@H](C#N)C(=O)CSc1nnnn1C1CC1 1342524033 YTQZHKWBJOZMKD-VIFPVBQESA-N 324.366 -0.428 30 20 DBED C#CCSCCNC(=O)C(=O)N1CCC[C@@H]1C(=O)NC1CC1 1342541566 TVQGJEOCBIUYGW-GFCCVEGCSA-N 323.418 -0.261 30 20 DBED C#CCN1CCC(OC(=O)c2cn(CC(=O)N(C)C)nn2)CC1 1347401622 XXLFBUJUJPOJHU-UHFFFAOYSA-N 319.365 -0.379 30 20 DBED CC1(C)OC[C@H](CNC(=O)Cn2cc(C#N)c(O)nc2=O)O1 1362416205 AHOTYETWAANQPA-VIFPVBQESA-N 308.294 -0.912 30 20 DBED CN(C1(CO)CCCC1)S(=O)(=O)N1CCO[C@H](C#N)C1 1364027792 WWZDFNIRCTVWAN-LLVKDONJSA-N 303.384 -0.308 30 20 DBED COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)Nc2nn(C)cc2C#N)C1 1365041693 YSXQYWPJPQPALM-PSASIEDQSA-N 307.310 -0.321 30 20 DBED COCCN(CCNC(=O)COC)C(=O)c1cc(C#N)c[nH]1 1383288379 DDMDJHNZVMFJAX-UHFFFAOYSA-N 308.338 -0.262 30 20 DBED CO[C@H](C(=O)N1CCN(CCNC(=O)[C@H](C)C#N)CC1)C1CC1 1385577305 DWTBKLPPWLHQDX-OCCSQVGLSA-N 322.409 -0.169 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CCN(C(=O)CCCS(C)(=O)=O)C1 1385617026 YBRPZJPKBMIJSK-MNOVXSKESA-N 315.395 -0.312 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C)C(=O)[C@@H]1CCCc2nn[nH]c21 1387082008 ONLFTGLPYREXFK-VHSXEESVSA-N 304.354 -0.041 30 20 DBED C[C@H](CNC(=O)Cn1cc(C2CC2)nn1)NC(=O)[C@H](C)C#N 1392568538 CWCSBWXEAINTKM-NXEZZACHSA-N 304.354 -0.064 30 20 DBED CNC(=O)c1ccc(C(=O)N(C)CCNC(=O)[C@@H](C)C#N)cn1 1408674229 TZEXBWPZYPFCCQ-JTQLQIEISA-N 317.349 -0.211 30 20 DBED COc1cccnc1C(=O)NC[C@H](O)CNC(=O)[C@@H](C)C#N 1410155222 WPXNRIQBFDJZLA-VHSXEESVSA-N 306.322 -0.543 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1c(C2CC2)cnn1C 1410158618 XHCNDWYYHRPGFC-KOLCDFICSA-N 319.365 -0.336 30 20 DBED CC(=O)N1CCC[C@@H]1C(=O)NC1(CNC(=O)[C@@H](C)C#N)CC1 1410800537 BDEJMJIXKHEZAR-CMPLNLGQSA-N 306.366 -0.078 30 20 DBED C[C@@H]1CN(C(=O)CCn2cc(C#N)c(O)nc2=O)C[C@@]1(C)CO 1412355000 FUTQPWSTCVHWEN-BMIGLBTASA-N 320.349 -0.312 30 20 DBED CC(=O)NC[C@H]1CCCCN1C(=O)NCCn1cnc(C#N)n1 1414633447 NMEWFWGRQMBIIV-GFCCVEGCSA-N 319.369 -0.150 30 20 DBED CC(=O)NCC(=O)NCC1CN(C(=O)c2ccc(C#N)[nH]2)C1 1416064202 LBSMYANNQXPTJY-UHFFFAOYSA-N 303.322 -0.789 30 20 DBED Cc1cc(F)cc(C#N)c1S(=O)(=O)NCCn1cnnn1 1424308593 QCAXWZOJPGSJPV-UHFFFAOYSA-N 310.314 -0.029 30 20 DBED CNC(=O)NCC(=O)N1CCC(CNC(=O)[C@H](C)C#N)CC1 1429709709 JOKWVPUGFYLPSU-SNVBAGLBSA-N 309.370 -0.570 30 20 DBED C[C@@H](C#N)C(=O)NCC[C@@H]1CCCCN1C(=O)Cn1cnnn1 1431153722 RSWNHDZJSXPQOD-RYUDHWBXSA-N 319.369 -0.280 30 20 DBED N#Cc1ccnc(N2CCN(C(=O)[C@@]3(O)CCOC3)CC2)c1 1440882108 WNILZKJKESSNPL-OAHLLOKOSA-N 302.334 -0.247 30 20 DBED COC(=O)NCC(=O)NC[C@H]1CCCN(C(=O)[C@H](C)C#N)C1 1454430120 FXDRIAOBOMKWLD-GHMZBOCLSA-N 310.354 -0.143 30 20 DBED N#CCNC(=O)CN[C@H]1CCN(C(=O)c2cccc(O)n2)C1 1480612335 DDWPHOGKNZIOPI-JTQLQIEISA-N 303.322 -0.769 30 20 DBED C[C@@H](NCCN(C)C(=O)c1cc(C#N)c[nH]1)c1nnnn1C 1481218002 JPRRSNJDOAGXHI-SECBINFHSA-N 302.342 -0.167 30 20 DBED CC(=O)N1CC(C(=O)N2CCC(CNC(=O)[C@@H](C)C#N)CC2)C1 1492158009 ZBMZRJOIQGDWNT-NSHDSACASA-N 320.393 -0.021 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CCN(C(=O)c2ccc(O)nn2)C1 1495131377 NGGMZLXGZYBRCQ-VHSXEESVSA-N 303.322 -0.080 30 20 DBED C[C@H](NC(=O)O)C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N 1571098368 RDHXDLRAMKMFOU-ZETCQYMHSA-N 308.298 -0.287 30 20 DBED C=CCn1nnnc1N1C[C@H](C(=O)O)C2(CC(C(=O)OC)C2)C1 1588474969 QNNOBPQSPDWQIL-OPASDULOSA-N 321.337 -0.051 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@H](O)CNc1ncc(C(=O)O)cn1 1588683608 AIZACSBSNDIINZ-YGRLFVJLSA-N 324.337 -0.609 30 20 DBED C[C@@](O)(CNS(=O)(=O)c1ccc(F)cc1C#N)C(=O)O 1589147968 LDHZQBFFOZZKIZ-LLVKDONJSA-N 302.283 -0.189 30 20 DBED C=CCCn1cc(C(=O)N(CCC(=O)OC)CC(=O)O)nn1 1602722067 VFKHORYVJGNLKZ-UHFFFAOYSA-N 310.310 -0.056 30 20 DBED CC#CC[C@@H](CO)NC(=O)C(=O)Nc1cnn(CC(=O)O)c1C 1602946433 WYAHHUDPYLPBBE-JTQLQIEISA-N 322.321 -0.895 30 20 DBED COC(=O)[C@@H](CC(=O)O)NS(=O)(=O)c1cncc(C#N)c1 1606324617 DFQMOYNNJBVSHT-SECBINFHSA-N 313.291 -0.752 30 20 DBED N#Cc1ccc([C@@H](O)C(=O)N2CCNC(=O)[C@@H]2CC(=O)O)cc1 1608202967 ZEHROVDUMWATHP-WCQYABFASA-N 317.301 -0.607 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H](CNC(=O)c1nc(C)c[nH]1)C1CC1 1752512956 JPSKEZUJMYLGKI-DGCLKSJQSA-N 317.393 -0.046 30 20 DBED C#CCO[C@@H](C)C(=O)N1[C@H]2CC[C@H]1CN(CC(=O)N1CCC1)C2 1752534010 CVDMMABXGDITTC-KKUMJFAQSA-N 319.405 -0.068 30 20 DBED O=C1NC[C@@H](C(=O)N[C@H]2C[C@H](NCC#Cc3ccccc3)C2)N1 1752661937 TWJGFKNSDLVEKI-KKUMJFAQSA-N 312.373 -0.044 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@@H]1CCN(C(=O)c2cnon2)C1 1752954032 NVOVLHPUCHAUAG-MNOVXSKESA-N 305.338 -0.741 30 20 DBED COCC#CCN1CC(CNC(=O)[C@H](OC)[C@@H]2CCOC2)C1 1753407411 IKBAOXPBDAHJQC-HUUCEWRRSA-N 310.394 -0.264 30 20 DBED C#CCNC(=O)CN1CCO[C@H](CNC(=O)[C@@H]2C[C@H]2CCC)C1 1753653201 XCXJHJYDVGEBCD-RBSFLKMASA-N 321.421 -0.011 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H](CNC(=O)c1cnon1)C(C)C 1753844330 ZSDGNNZZTHQXPG-MNOVXSKESA-N 307.354 -0.449 30 20 DBED C#CCNC(=O)CNC[C@@H](O)CNC(=O)[C@@H](C)c1cccs1 1753927252 HFGQDWWKXRMWNT-NWDGAFQWSA-N 323.418 -0.332 30 20 DBED COCC#CCNCC[C@H](C)NC(=O)c1ccn2nnnc2c1 1753988362 DCWNJADTQIPZOK-LBPRGKRZSA-N 316.365 -0.128 30 20 DBED CCc1c(C(=O)N[C@@H](C)CN(C)CC(=O)NCC#N)cnn1C 1754313874 GJFNPJVXHIFRIE-NSHDSACASA-N 320.397 -0.328 30 20 DBED N#Cc1cc(C(=O)N[C@H]2[C@H]3C[C@H]2N(CCOCCO)C3)c[nH]1 1754424040 ONMQHGIRWNISQI-YUTCNCBUSA-N 304.350 -0.302 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CNC(=O)c1cncc(OC)n1 1754495420 KXHLIENWHXPPGZ-NSHDSACASA-N 317.349 -0.961 30 20 DBED C#CCNC(=O)[C@@H](C)NC1(CNC(=O)Cn2cccn2)CC1 1754508076 OKBVJJDPIGTHEB-GFCCVEGCSA-N 303.366 -0.741 30 20 DBED N#CCNC(=O)CNC[C@@H]1CCCN1C(=O)[C@]1(F)CCOC1 1754616283 WLIKLFURSHCZGD-FZMZJTMJSA-N 312.345 -0.665 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC[C@@](O)(CNC(=O)C#CC(C)C)C1 1754751848 VRVWLMLJMZMZCF-RHSMWYFYSA-N 321.421 -0.111 30 20 DBED CC(C)C#CC(=O)NCCN1CCC(N[C@H](C)C(N)=O)CC1 1754848621 NPVVFSMIYXPAIO-CYBMUJFWSA-N 308.426 -0.310 30 20 DBED C#CCCCC(=O)N[C@]1(CO)CCCN(CC(=O)N(C)C)C1 1754854151 NLGQSHBEULXSMA-MRXNPFEDSA-N 309.410 -0.179 30 20 DBED CNC(=O)NC(=O)CN[C@H]1CN(C(=O)C#CC(C)C)C[C@@H]1C 1755108313 DCVYDAPKMZEACG-RYUDHWBXSA-N 308.382 -0.462 30 20 DBED CN(C)C(=O)CCCC(=O)N1CCC(O)(CNCC#N)CC1 1755154919 NVVNJESWOFRRLL-UHFFFAOYSA-N 310.398 -0.288 30 20 DBED CN1C(=O)CCC[C@@H]1C(=O)NC1(CO)CCN(CC#N)CC1 1755181108 ONFXCHAVBKMIPU-GFCCVEGCSA-N 308.382 -0.536 30 20 DBED CN(CC(C)(C)CNCC(=O)NCC#N)C(=O)c1cnon1 1755286351 YNMUUXABDHMBLD-UHFFFAOYSA-N 308.342 -0.603 30 20 DBED C=CCOCCN(C)[C@@H](C)CNC(=O)C1CC(=O)NC(=O)C1 1755317590 IZQMSUYBFJEZPU-NSHDSACASA-N 311.382 -0.322 30 20 DBED C#CCN[C@@H](C)[C@H]1CN(C(=O)CN2CCCCC2=O)CCO1 1755444904 OZFKNXVRXILXEH-UONOGXRCSA-N 307.394 -0.162 30 20 DBED C=C(C)CN[C@@H](CO)CNC(=O)Cc1ccc(C(N)=O)cc1 1755646674 BLVFVDLLFLFGQS-CQSZACIVSA-N 305.378 -0.029 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@@H](O)CN(C)C(=O)/C=C(\C)C1CC1 1755773987 YJZNKWNAZWPVFY-BUUHPPLQSA-N 321.421 -0.111 30 20 DBED C=CCOCC(=O)N1C[C@H](NC(=O)c2cnn(C)n2)C(C)(C)C1 1756184446 SZEBNLUSJYEEHL-LBPRGKRZSA-N 321.381 -0.016 30 20 DBED CCOc1nc(C(=O)NC[C@H](CO)NC(=O)C#CC2CC2)co1 1756534978 GMIRHULIPARGQK-LLVKDONJSA-N 321.333 -0.306 30 20 DBED C=C(C)CCC(=O)N(C)C[C@@H](O)CNC(=O)Cc1nc[nH]n1 1756666381 YBCWZZMSOYTEDB-NSHDSACASA-N 309.370 -0.361 30 20 DBED C=CCCC(=O)N[C@@H]1CN(C(=O)C[C@H]2CCC(=O)N2)C[C@H]1O 1756984603 DNQLWQNHPDQAOK-IJLUTSLNSA-N 309.366 -0.691 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnsn1)C2 1800450736 ITOXMVHHWLFKFB-BZBKMWRSSA-N 306.347 -0.626 30 20 DBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)F)C2)C1 1839807194 WFMMWTRHZSKYRP-OAHLLOKOSA-N 312.341 -0.176 30 20 DBED N#CCN1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1 70760575 XXOPZYBUADTQOB-UHFFFAOYSA-N 321.362 -0.314 30 20 DBED C=CCNC(=O)NC(=O)CN1CCC[C@H]1CN1CCOCC1 75889789 RPQVHHNFWPFFHF-ZDUSSCGKSA-N 310.398 -0.205 30 20 DBED CN(C)C(=O)CN/C(=N/C1CCOCC1)NCc1ccn(C)n1 262327909 UKYSUSXHZXJEPS-UHFFFAOYSA-N 322.413 -0.278 30 20 DBED Cn1c(N2CCC[C@H](CC(N)=O)C2)c(C#N)c(=O)n(C)c1=O 266992456 CMTJSDMAEMIIFH-SECBINFHSA-N 305.338 -0.953 30 20 DBED N#Cc1ccc(Cl)c(NC(=O)C(=O)N2C[C@H](O)[C@H](O)C2)c1 277595268 SVELDEDBPJMIMJ-PHIMTYICSA-N 309.709 -0.286 30 20 DBED C=CCN1CC[C@H](N(C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1=O 281222137 DUYVEXFNKTXQFC-STQMWFEESA-N 323.353 -0.129 30 20 DBED C[C@H](O)C(=O)N1CCN(S(=O)(=O)c2cncc(C#N)c2)CC1 289407434 GNUPNFOLMOJJBX-JTQLQIEISA-N 324.362 -0.833 30 20 DBED C[C@H](NS(=O)(=O)c1cncc(C#N)c1)C(=O)NCCF 290135378 MDWWAAVLHIGRKX-QMMMGPOBSA-N 300.315 -0.294 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCN(CC(=O)N2CCCC2)CC1 294206387 BXSZHRXOQVTIRI-AWEZNQCLSA-N 307.394 -0.209 30 20 DBED C#CCCN1CCN(C(=O)CCCN2C(=O)CN(C)C2=O)CC1 299328376 PBMKSLOIZJMGBA-UHFFFAOYSA-N 320.393 -0.172 30 20 DBED CC1(CC/N=C(\N)NCCCN2CCOCC2)OCCO1 305812181 JYDXGWZOTCLIMN-UHFFFAOYSA-N 300.403 -0.234 30 20 DBED O=S1(=O)CCN(/C(O)=N/CC2(N3CCOCC3)CC2)CC1 329778311 PYJLLAMOWJWILR-UHFFFAOYSA-N 317.411 -0.504 30 20 DBED CCN1CCN(S(=O)(=O)N(CCC#N)CCOC)CC1 330371316 IKXQYFTVUXSTNO-UHFFFAOYSA-N 304.416 -0.269 30 20 DBED C/N=C(/O)NCC(=O)N(C)CC1CCN(C[C@H](C)O)CC1 330630870 DUDOCAMLXJOVKR-NSHDSACASA-N 300.403 -0.329 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@H]1CC(=O)N(C)C1=O 330672979 DTAODXWJTYSIHP-IUCAKERBSA-N 302.356 -0.940 30 20 DBED COCCN(CCC#N)S(=O)(=O)NC[C@@H](C)C(=O)OC 336883478 CRZNTBHNDXDNLW-SNVBAGLBSA-N 307.372 -0.508 30 20 DBED CC[C@@]1(C)CN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CCO1 337150870 JHCUPNGLLNZJIG-RYUDHWBXSA-N 303.384 -0.044 30 20 DBED CNC(=O)[C@@H]1CCC[C@@H]1NS(=O)(=O)N(C)[C@H](C)CC#N 337771033 OGSUAVYLGOCGBM-MXWKQRLJSA-N 302.400 -0.031 30 20 DBED CC#CCN(C)S(=O)(=O)CCCS(=O)(=O)NCC#N 349456420 IYJUIUPKYOAGRQ-UHFFFAOYSA-N 307.397 -0.896 30 20 DBED C=CCCO[C@@H](C)C(=O)N1CCC[C@H](CNS(N)(=O)=O)C1 352153169 DVGGKLDWJNUEOL-NWDGAFQWSA-N 319.427 -0.001 30 20 DBED CC(C)Oc1ncccc1NC(=O)C(=O)NCC(=O)NCC#N 357293517 SMJSITVCMXBNOV-UHFFFAOYSA-N 319.321 -0.437 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCc2ncoc2C)C1=O 358209701 LTFYOWQVGRVVAX-LBPRGKRZSA-N 320.349 -0.155 30 20 DBED CC(C)[C@H](C#N)N1CCN(C(=O)CN(C)C(C)(C)C(N)=O)CC1 451137130 SJEJTCUOMYWISD-ZDUSSCGKSA-N 323.441 -0.126 30 20 DBED C#CCNS(=O)(=O)c1ccccc1S(=O)(=O)NCC 491037317 CYJGGLOVQYGPQQ-UHFFFAOYSA-N 302.377 -0.104 30 20 DBED Cc1cc(C(=O)O)ccc1S(=O)(=O)NCC(=O)NCC#N 505858636 HRVYHQFMBDUSRA-UHFFFAOYSA-N 311.319 -0.389 30 20 DBED C[C@@H]1CN(S(=O)(=O)CC2(C#N)CCC2)C[C@@H](C(N)=O)O1 582275920 DOSBRBXCFOMONQ-ZJUUUORDSA-N 301.368 -0.415 30 20 DBED N#C[C@@]1(NC(=O)Cn2nc3n(c2=O)CCCC3)CCSC1 593096706 YGVQBFHPHZFEBI-ZDUSSCGKSA-N 307.379 -0.103 30 20 DBED C=CCCSCCNC(=O)C(=O)N1CCCO[C@@H](CN)C1 595284522 SUWPIBZZHWCFDN-LBPRGKRZSA-N 315.439 -0.012 30 20 DBED C[C@H](NC(=O)C(=O)NC[C@@H]1COCCN1)c1ccc(C#N)cc1 599947360 WJZPBIVSZZZARY-SMDDNHRTSA-N 316.361 -0.160 30 20 DBED N#CCCN(CCN1CCOCC1)C(=O)CN1CCCNC1=O 604538418 GCBPAGSKIRAHQE-UHFFFAOYSA-N 323.397 -0.524 30 20 DBED CC(C)NS(=O)(=O)CCNC(=O)N1CC[C@@](F)(C#N)C1 615537267 WZTIPTQIHFLKTD-LLVKDONJSA-N 306.363 -0.039 30 20 DBED CC#CC[C@H](CO)NC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C 649184107 CLLSNPUCGCMZSN-MNOVXSKESA-N 304.412 -0.159 30 20 DBED C#CCC[C@@H](O)CNC(=O)[C@H]1CCCCN1S(C)(=O)=O 717926758 FEXSPCLEMWQJCA-VXGBXAGGSA-N 302.396 -0.309 30 20 DBED C#CCN(CCC(=O)N(C)CC(=O)O)[C@H]1CCS(=O)(=O)C1 736077340 QOPITVILCPNFAW-NSHDSACASA-N 316.379 -0.958 30 20 DBED CC(C)N1CCN(C(=O)C(=O)Nc2cnn(CC#N)c2)CC1 746366861 VWVVAKMOHAQCMU-UHFFFAOYSA-N 304.354 -0.102 30 20 DBED C#CCN1CCN(C(=O)CN(CC(N)=O)C2CCCC2)CC1 748814201 VZZYZPPIHKBTRQ-UHFFFAOYSA-N 306.410 -0.506 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1ccc(C(N)=O)cn1 748894342 STSUFTBGZWIDBL-QMMMGPOBSA-N 320.305 -0.262 30 20 DBED Cn1cc(C=Nn2cc(Br)cn2)c(=O)n(C)c1=O 752748779 ZZLKXXSCSSASPW-UHFFFAOYSA-N 312.127 -0.075 30 20 DBED C#CCOCCNC(=O)c1c(C)oc(C)c1S(N)(=O)=O 753233824 CDIXXWKZTIGBCA-UHFFFAOYSA-N 300.336 -0.077 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)c1cnc2c(c1)nnn2C 754898256 DZMDKUNYBBCWKI-UHFFFAOYSA-N 318.293 -0.468 30 20 DBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@H](CO)C1 759701870 RTFVSHDKXRDZRE-JTQLQIEISA-N 323.374 -0.434 30 20 DBED NS(=O)(=O)c1ccc(NN=Cc2cn(CC(=O)O)nn2)cc1 768486731 PLFJNQPIBMLEAY-UHFFFAOYSA-N 324.322 -0.544 30 20 DBED CN(C)c1c(C=NNCC(C)(C)CO)c(=O)n(C)c(=O)n1C 807986615 PCIXMEAVUIMWQL-UHFFFAOYSA-N 311.386 -0.908 30 20 DBED COC(=O)[C@@H]1[C@H]2CN(S(=O)(=O)N(C)[C@H](C)CC#N)C[C@H]21 813741741 KPMRZPJCROCFPH-ZNSHCXBVSA-N 301.368 -0.184 30 20 DBED C=C(CO)C(=O)N1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 813825774 KZKKJIOBWWFWSZ-NSHDSACASA-N 302.396 -0.145 30 20 DBED Cn1ccc(C=NNC(=S)NCCCN2CCOCC2)n1 814728177 NSQDMOLDVQVDJX-UHFFFAOYSA-N 310.427 -0.060 30 20 DBED O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCC[C@H]1C(=O)O 819691607 SAWULTNZHJOCPK-XRNDOFNESA-N 307.306 -0.022 30 20 DBED Cn1cc(N2CCN(C(=O)[C@](C)(C#N)CC(=O)O)CC2=O)cn1 821298829 YCJQROXFHWHSQK-AWEZNQCLSA-N 319.321 -0.400 30 20 DBED COc1ccc(CNC(=O)[C@@H]2CC(=O)NC(=O)N2)cc1C#N 830732770 SRVVIRHMBJZHNR-JTQLQIEISA-N 302.290 -0.219 30 20 DBED C/N=C(/NCc1ccco1)NC[C@]1(O)CCS(=O)(=O)C1 849036577 UVXRFHYYMPPAHG-GFCCVEGCSA-N 301.368 -0.506 30 20 DBED Cn1nc(C(F)(F)F)cc1C=NNC(=S)NCC(N)=O 853305629 IWULAFZFVKXGEZ-UHFFFAOYSA-N 308.289 -0.278 30 20 DBED C=CCCONC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 856031619 XKICGZZITNVGGP-ZDUSSCGKSA-N 311.382 -0.209 30 20 DBED C[C@H](C#N)C(=O)N1CCCC[C@H](NC(=O)c2nnn(C)n2)C1 943442356 HPXVMFDRTYRKMA-ZJUUUORDSA-N 305.342 -0.519 30 20 DBED Cc1nccc(C(=O)NC[C@H]2CN(C(=O)[C@H](C)C#N)CCO2)n1 944603403 ZXEMBXIYHOAQHN-PWSUYJOCSA-N 317.349 -0.098 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@@H]3[C@H](CCN3C(=O)C(N)=O)C2)c1 945914950 QGOBAKBSWYBVGS-ZYHUDNBSSA-N 315.333 -0.565 30 20 DBED N#CCN1C[C@H]2CCN(C(=O)C3CS(=O)(=O)C3)CC[C@H]2C1 946605511 SCNMNLQNYFDYKF-TXEJJXNPSA-N 311.407 -0.275 30 20 DBED CN(C(=O)Cn1ccc(O)nc1=O)[C@@H]1CCCN(CC#N)CC1 948591152 QSIKNMWILFUBNE-GFCCVEGCSA-N 319.365 -0.215 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@@H]2CNC(=O)c2cn(C)nn2)nc1 949746781 VUKLBRUWOOOAQG-GFCCVEGCSA-N 324.344 -0.164 30 20 DBED C=CCN1CC[C@H](N2CCN(C(=O)c3nc[nH]n3)CC2)C1=O 952323192 BUJPRBCBFRVNJR-NSHDSACASA-N 304.354 -0.651 30 20 DBED C=CC(C)(C)C(=O)N1CC(N(C)C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 955330865 ZZGBZFZBXWPFTA-NWDGAFQWSA-N 323.393 -0.099 30 20 DBED CC#CCN1C[C@@H](O)[C@H](CNC(=O)c2cc(C(N)=O)ccn2)C1 958774539 ZKEAFIYBWCAROJ-TZMCWYRMSA-N 316.361 -0.774 30 20 DBED C#CCN1CCC(C(=O)N(C)[C@H]2CN(C(C)=O)C[C@@H]2O)CC1 958869161 VEYDMPNWCCNUOR-GJZGRUSLSA-N 307.394 -0.618 30 20 DBED COCCN1C[C@H](C(=O)NC2[C@H]3CN(CC#N)C[C@H]23)CC1=O 960162556 FRCGMYAQPHLPIA-WOPDTQHZSA-N 306.366 -0.949 30 20 DBED C=C(C)CCN1C[C@H]2C(NC(=O)C[C@@H]3NC(=O)NC3=O)[C@@H]2C1 960353506 WBPAYPJWTWKKIY-MXWKQRLJSA-N 306.366 -0.403 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@H](NC(=O)c2ccc(O)nn2)C1 961372859 AWKBBHAJMZBCBE-MNOVXSKESA-N 320.349 -0.304 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC34CC4)C[C@@H]2O)[nH]1 962347340 QOGOKHQSCOKQBI-RTXFEEFZSA-N 314.345 -0.012 30 20 DBED C=CCCN1C[C@H]2C(NC(=O)Cn3nc(C)n(C)c3=O)[C@@H]2C1 962430293 LVQLCAILSIOGGD-VXGBXAGGSA-N 305.382 -0.487 30 20 DBED N#Cc1c[nH]c(C(=O)N2C[C@H](O)[C@H](NC(=O)c3ncc[nH]3)C2)c1 962805061 GPHOGEBWYJMLIU-MNOVXSKESA-N 314.305 -0.775 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CCNC3=O)C2)[nH]1 974045810 UDCHMQXMWBTNAI-OUAUKWLOSA-N 315.333 -0.601 30 20 DBED CC#CCN1C[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)C(C)(C)C1 977536938 FXWFCLBJBUWQAL-CYBMUJFWSA-N 319.409 -0.260 30 20 DBED C#CCN1CCCC2(C1)CN(C(=O)CN1CC(=O)NC1=O)C2 982072997 ATKBNILRNPAYQJ-UHFFFAOYSA-N 304.350 -0.904 30 20 DBED C=C(C)CN1CCCN(C(=O)[C@H]2CCS(=O)(=O)N2)CC1 989689108 DQHXPLYYMGXQFQ-GFCCVEGCSA-N 301.412 -0.212 30 20 DBED CN1CC[C@H](C(=O)N2CC(NC(=O)c3ccc(C#N)[nH]3)C2)C1=O 990869275 WHQPQDUTRGPUCE-NSHDSACASA-N 315.333 -0.695 30 20 DBED C=CCCn1cc(C(=O)N2CC[C@@H](NC(=O)CC)[C@H](O)C2)nn1 991145039 XTZAWRJSIOXPLU-DGCLKSJQSA-N 321.381 -0.044 30 20 DBED C#Cc1ccc(C(=O)N2CC(NC(=O)c3cnnn3CC)C2)nc1 991197305 INGWRCUJTKVESW-UHFFFAOYSA-N 324.344 -0.071 30 20 DBED CC#CCN1CCC[C@H](NC(=O)CN2C(=O)CNC2=O)[C@H]1C 994360333 DOHGNIHQEWHROR-NEPJUHHUSA-N 306.366 -0.469 30 20 DBED C=CCn1cccc1C(=O)N1CC(NC(=O)[C@H]2CNC(=O)N2)C1 998677969 IEUOSGOAXFSYQY-LLVKDONJSA-N 317.349 -0.704 30 20 DBED C#CCN1CC[C@H](n2cc(CNC(=O)c3cn(C)cn3)nn2)C1 999981243 QPIIWHYVOKDOQO-ZDUSSCGKSA-N 313.365 -0.178 30 20 DBED N#CCN1CC[C@H](n2cc(CNC(=O)c3cnn[nH]3)nn2)C1 1000001602 CZTMTCYUKYVSJE-JTQLQIEISA-N 301.314 -0.903 30 20 DBED CC(=O)N1CCNC(=O)CCN(C(=O)c2ccc(C#N)[nH]2)CC1 1001738829 VZBKXMPMTWZSDD-UHFFFAOYSA-N 317.349 -0.303 30 20 DBED O=C1CC[C@@H](C(=O)NC[C@H]2[C@@H]3CN(C(=O)C#CC4CC4)C[C@H]23)N1 1009317872 ZHRQIOZXOJGFBG-FQUUOJAGSA-N 315.373 -0.501 30 20 DBED C#CCN1CCC(C(=O)N[C@@H]2CCCN(CC(=O)NC)C2)CC1 1009628905 QNCYAVGWKAEKHU-OAHLLOKOSA-N 320.437 -0.342 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C(=O)[C@@H](C)N2C(=O)CCC2=O)CC1 1011251393 PQSLXDOWTMOBFI-GHMZBOCLSA-N 320.349 -0.646 30 20 DBED C[C@@H](C#N)C(=O)N1CC=C(CNC(=O)[C@H]2CN(C)CCO2)CC1 1017357519 YIFXGPKBJVYYCE-GXTWGEPZSA-N 320.393 -0.248 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(CN(C(=O)c3cnn(C)c3N)C2)C1 1018959670 HDFOOBIKNIIJHL-JTQLQIEISA-N 316.365 -0.164 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H](NCc3cn(C)nn3)C2)nn1 1019482065 FHKLSQWRMWPOIC-NSHDSACASA-N 316.369 -0.403 30 20 DBED Cn1cnn(CC(=O)N2CCC[C@@H]3CN(CC#N)CC[C@H]32)c1=O 1021618304 DJTPMRBUYZXFKG-CHWSQXEVSA-N 318.381 -0.582 30 20 DBED N#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)CCn2cnnn2)C1 1021700148 OCNCYDITWSIUPI-QWHCGFSZSA-N 303.370 -0.100 30 20 DBED C=CCN1CC[C@H](N[C@H]2C[C@@H](NC(=O)Cc3cc[nH]n3)C2)C1=O 1021920567 MXJPOFJVFIAHAT-MJBXVCDLSA-N 317.393 -0.024 30 20 DBED N#Cc1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cc[nH]n3)C2)[nH]1 1023095084 HJKYDNSYGLQQST-VXGBXAGGSA-N 314.305 -0.775 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2cccnc2)C1 1023410621 MTUYPUKZRYDKIN-CYZMBNFOSA-N 302.334 -0.528 30 20 DBED O=C(N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O)C1=CCOCC1 1023488922 CVWJKVXFNCSUPU-ZIAGYGMSSA-N 304.346 -0.566 30 20 DBED CN(CC#N)[C@H]1CCCN(C(=O)CCn2ncn(C)c2=O)C1 1027505165 KXVCNVNMWPWFPF-LBPRGKRZSA-N 306.370 -0.582 30 20 DBED C=C(Cl)CN1CC[C@@H](CNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 1028838419 HEADJMAKTRDPGB-UWVGGRQHSA-N 314.773 -0.225 30 20 DBED C=CCN1CC[C@H](CNC(=O)c2cc(=O)n3[nH]cnc3n2)C1 1028928893 SPPXNFXJSQCANA-SNVBAGLBSA-N 302.338 -0.345 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)CN3CCCC3=O)C2)C1=O 1030092080 XBFMZLYWYWBNKO-CYBMUJFWSA-N 320.393 -0.804 30 20 DBED C=CCCn1cc(C(=O)NC2CN(Cc3nncn3C)C2)nn1 1031075663 PMJLDZXMPIAAMD-UHFFFAOYSA-N 316.369 -0.403 30 20 DBED C#CCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1nnn(C(C)(C)C)n1 1032420246 OOUMSOUQLPZMIK-RYUDHWBXSA-N 302.382 -0.111 30 20 DBED CC#CCN1CCO[C@@H](CNC(=O)c2cn(CCOC)nn2)C1 1035362533 TVBDTEAHVQRTLI-ZDUSSCGKSA-N 321.381 -0.622 30 20 DBED N#CCN1CCO[C@H](CNC(=O)[C@@H]2CCn3cncc3C2)C1 1035414512 QJPHFCONFUZYPC-TZMCWYRMSA-N 303.366 -0.214 30 20 DBED CC#CCN1CC[C@@H]2CN(C(=O)Cn3cnnc3O)CC[C@@H]21 1036692920 OSXBCXKYOANDCH-OLZOCXBDSA-N 303.366 -0.070 30 20 DBED C#CCCN1CC[C@H]2CN(C(=O)c3nnc(O)nc3O)CC[C@H]21 1036762922 RTBHZQXSVOCIEZ-WDEREUQCSA-N 317.349 -0.158 30 20 DBED C#CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)c1cn2nc(C)cc2[nH]c1=O 1037626722 PRBLRMPYKOZNQN-OSMZGAPFSA-N 311.345 -0.233 30 20 DBED CC#CCN1CC[C@@H]1CNC(=O)c1cc(=O)n2[nH]cnc2n1 1038919531 DBULCZHUMQMQAR-SNVBAGLBSA-N 300.322 -0.755 30 20 DBED CCN(CC)CC(=O)N1CC[C@](O)(CNC(=O)C#CC2CC2)C1 1039681189 VQZOPCMVXUKVBI-KRWDZBQOSA-N 321.421 -0.179 30 20 DBED C#CCOCCC(=O)NC[C@@]1(O)CCN(C(=O)[C@H]2CCOC2)C1 1039719634 YKNFQVYWHSZYQA-BBRMVZONSA-N 324.377 -0.858 30 20 DBED C=CCCC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2CC(=O)N(C)C2)C1 1040089112 CGPBKVYXKOEHEQ-WBMJQRKESA-N 323.393 -0.490 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@](O)(CNC(=O)[C@H]2CCNC2=O)C1 1040483021 WSHMNDZIPORLAE-ZBEGNZNMSA-N 323.393 -0.586 30 20 DBED CC#CCCCC(=O)N1CC[C@@](O)(CNC(=O)c2cnon2)C1 1040669724 UGLSTWJPZGALSD-OAHLLOKOSA-N 320.349 -0.044 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCCCO2)C1 1042039583 CRSJGXPIVXGTMB-LBPRGKRZSA-N 312.366 -0.552 30 20 DBED N#CCN1CC[C@H]2CCN(C(=O)c3nnc(O)nc3O)C[C@@H]21 1042133579 KPPWXNVTGORSHY-IUCAKERBSA-N 304.310 -0.657 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2coc(C)n2)C1 1043040672 VUTGKMDCEDKRTP-JTQLQIEISA-N 321.333 -0.676 30 20 DBED N#Cc1nccc(N2C[C@H](O)[C@H](NC(=O)C[C@H]3CCOC3)C2)n1 1043885346 AQZUZGAQHODDQL-UTUOFQBUSA-N 317.349 -0.559 30 20 DBED N#Cc1cnc(N2C[C@H](O)[C@H](NC(=O)c3cnon3)C2)c(F)c1 1044123665 YCJLOEMMNCDKFQ-MNOVXSKESA-N 318.268 -0.545 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCC(=O)N2C)C1 1044930988 URNGDBSMTCRSQQ-NSHDSACASA-N 309.366 -0.737 30 20 DBED C=C[C@@H](CC)CC(=O)NCC1(O)CN(C(=O)Cn2nccn2)C1 1045068485 FZRURCDFFFVOOY-LBPRGKRZSA-N 321.381 -0.430 30 20 DBED C=CCC(C)(C)C(=O)N1CC(O)(CNC(=O)c2cnon2)C1 1045192936 KGMLRAYEGYSYPW-UHFFFAOYSA-N 308.338 -0.025 30 20 DBED CN(C(=O)[C@H](C1CC1)N1CCCC1)[C@H]1CN(CC#N)C[C@@H]1O 1047470029 FAJIJBULMWWLTJ-KKUMJFAQSA-N 306.410 -0.112 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cn(CC3CC3)nn2)C1 1047580939 CAEQUHYMMCDMGE-KBPBESRZSA-N 305.382 -0.009 30 20 DBED C=C(C)CN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC(=O)N(C)C2)C1 1047640445 PFMNCLNSSCOZLK-RDBSUJKOSA-N 309.410 -0.066 30 20 DBED C#CCC1(C(=O)N2C[C@H](O)[C@@H](N(C)C(C)=O)C2)CCOCC1 1047967058 KUMXZHIAUJLHLB-KBPBESRZSA-N 308.378 -0.144 30 20 DBED C=CCCC(=O)N(C)[C@H]1CN(C(=O)CNC(=O)C2CC2)C[C@@H]1O 1048510991 ZIDNWPJWXHJCGX-STQMWFEESA-N 323.393 -0.491 30 20 DBED C#CCCCC(=O)N(C)[C@H]1CN(C(=O)c2cnns2)C[C@@H]1O 1048750178 MRMIHYFVPCOVOY-QWRGUYRKSA-N 322.390 -0.015 30 20 DBED C=C[C@@](C)(O)CC(=O)N(C)[C@H]1CN(C(=O)CCOC)C[C@@H]1O 1048761872 JIPMBRZRBNLUDH-SLEUVZQESA-N 314.382 -0.620 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C#CC2CC2)C1 1048821637 VQWSMYTURANJEU-KBPBESRZSA-N 306.362 -0.368 30 20 DBED C=C(C)CCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cn2nccn2)C1 1048908046 TZKPPJCZRXHQMX-STQMWFEESA-N 321.381 -0.336 30 20 DBED C=CCCN1C[C@H]2CN(C(=O)c3cn(CC(N)=O)nn3)C[C@H]2C1 1049232915 DPEMFJAUZRNGIF-TXEJJXNPSA-N 318.381 -0.657 30 20 DBED CCn1ncc(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)C#N)C2)n1 1049393698 DEODHADKAYHRPJ-DLOVCJGASA-N 320.353 -0.899 30 20 DBED C#CCCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC(=O)NC(=O)N1 1049750965 ATEZXCCQTNWCIG-RWMBFGLXSA-N 318.377 -0.327 30 20 DBED CNC(=O)CN1CC2(C1)CN(C(=O)c1cc(C#N)c[nH]1)CCO2 1053209030 JSQBBNOUDKQOHX-UHFFFAOYSA-N 317.349 -0.841 30 20 DBED C#CCN1CC2(C1)CN(C(=O)[C@H]1CC(=O)N[C@H](CC)C1)CCO2 1053356016 IRRVVRLPPWRQQT-ZIAGYGMSSA-N 319.405 -0.162 30 20 DBED C#CCN1CC2(C1)CN(C(=O)[C@H](C)N1CCOCC1)CCO2 1053553607 QEJZIIZLJQBEQI-AWEZNQCLSA-N 307.394 -0.747 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)[C@@H]3CCCN3C(N)=O)CO2)C1 1054025260 USGOSQOOSSMPCT-STQMWFEESA-N 320.393 -0.488 30 20 DBED N#Cc1ccc(N2C[C@H]3[C@H](NC(=O)Cc4nc[nH]n4)[C@H]3C2)nn1 1056298978 YWNVSYPBXSSYMG-MSRIBSCDSA-N 310.321 -0.740 30 20 DBED CN1C(=O)CC[C@H]1C(=O)N1CC[C@@H](Nc2cncc(C#N)n2)C1 1056747172 KZLZYDIJHOLHEE-PWSUYJOCSA-N 314.349 -0.018 30 20 DBED N#Cc1cncc(N2CCCN(C(=O)[C@H]3CNC(=O)N3)CC2)n1 1057216071 ADUSFTGVCQFLQG-LLVKDONJSA-N 315.337 -0.932 30 20 DBED N#Cc1ccc(N2CCCN(C(=O)[C@H]3CNC(=O)N3)CC2)cn1 1057216496 WPMJOPBDPAGYDP-CYBMUJFWSA-N 314.349 -0.327 30 20 DBED Cn1nccc1CC(=O)N(CCO)CCNC(=O)C#CC1CC1 1057454282 LPUVPVCGWQTWOJ-UHFFFAOYSA-N 318.377 -0.687 30 20 DBED N#Cc1nccnc1N1CCC[C@H](NC(=O)Cc2nc[nH]n2)C1 1058193692 DPMJGYULNIYOMZ-JTQLQIEISA-N 312.337 -0.206 30 20 DBED C=C[C@H](CC)CC(=O)N(CCO)CCNC(=O)CNC(N)=O 1058466810 VJURWUWVZUJWKW-LLVKDONJSA-N 314.386 -0.806 30 20 DBED N#Cc1cnc(N2CC[C@H](NC(=O)[C@H]3CCCC(=O)N3)C2)cn1 1058472551 ABGCMAOISOUKSD-CMPLNLGQSA-N 314.349 -0.288 30 20 DBED Cc1nc(N2CC[C@@H](NC(=O)c3nnn(C)n3)C2)ccc1C#N 1058516169 FYGYKHPMWJHKLN-LLVKDONJSA-N 312.337 -0.206 30 20 DBED Cn1nnc(C(=O)N[C@@H]2CCN(c3ncc(C#N)cc3F)C2)n1 1058516333 JZUUYQWYSZJMGF-SECBINFHSA-N 316.300 -0.375 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)[C@H]1CCCOCC1 1058653073 LSLFGLZNIGLYAT-STQMWFEESA-N 311.382 -0.100 30 20 DBED COC(=O)NCC(=O)N1CC[C@H](CCNC(=O)[C@@H](C)C#N)C1 1059241541 SOTUXZQYTKQJMR-QWRGUYRKSA-N 310.354 -0.143 30 20 DBED N#Cc1cnc(N[C@H]2C[C@@H](NC(=O)[C@@H]3COCCO3)C2)cn1 1059564041 VDHXSBFNBXSBHA-UMNHJUIQSA-N 303.322 -0.177 30 20 DBED Cn1nnc(C(=O)NCC[C@H]2CCN(C(=O)C#CC3CC3)C2)n1 1059623792 BCAZALSGMMFONE-LBPRGKRZSA-N 316.365 -0.408 30 20 DBED C#CCCCC(=O)NCC[C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 1060258421 GJOVQTHHIBKPPX-CHWSQXEVSA-N 320.393 -0.174 30 20 DBED Cc1nc(CC(=O)NC[C@H]2COCCN2C(=O)[C@H](C)C#N)n[nH]1 1061575654 WGVUKMSJFTYRIT-KOLCDFICSA-N 320.353 -0.841 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)c1cccnn1 1061848389 QIOYXAJZNXRQBA-QWRGUYRKSA-N 303.322 -0.407 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(NC(=O)Cc2nc[nH]n2)CCC1 1062866493 NXJRHHQJCHDWMG-AWEZNQCLSA-N 321.381 -0.171 30 20 DBED Cn1cnc(C(=O)NC2(CNC(=O)C#CC3CC3)CCC2)n1 1062973987 IPDOPBWESPPDOK-UHFFFAOYSA-N 301.350 -0.003 30 20 DBED N#Cc1cncc(NCCC2CCN(C(=O)C(N)=O)CC2)n1 1063334865 OMPFGIQBKDFBFL-UHFFFAOYSA-N 302.338 -0.126 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H]1CN(C(=O)COCC=C)CCO1 1064972271 STSXEDIRKAROBX-KBPBESRZSA-N 324.377 -0.429 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCO[C@@H](CNC(=O)CCOC)C1 1065155558 YJXBDPRYQRQHQD-STQMWFEESA-N 312.366 -0.595 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CCCN(C(=O)C2(C(N)=O)CC2)CC1 1066477993 FMOKARQYYXWYQF-GHMZBOCLSA-N 306.366 -0.091 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1COC2(C1)CN(C(=O)CN1CCCC1)C2 1069008664 ULIIARVFIKDKSJ-OLZOCXBDSA-N 320.393 -0.272 30 20 DBED CC#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H]2CCCO2)C1 1069892980 ZLNNJMSITWRVPG-RDBSUJKOSA-N 303.366 -0.178 30 20 DBED C=CCCCC(=O)NCC1(NC(=O)CC(N)=O)CCOCC1 1070048663 BUCVGDCSCBNJPZ-UHFFFAOYSA-N 311.382 0.000 30 20 DBED C=CC(C)(C)CC(=O)NC1(CNC(=O)C(N)=O)CCOCC1 1070127153 KEXKRVAWLKRDHR-UHFFFAOYSA-N 311.382 -0.144 30 20 DBED C=CCOCC(=O)N[C@H]1CN(C(=O)COCCOC)C[C@H]1C 1071818997 LHIDTTFSUHIRIR-OLZOCXBDSA-N 314.382 -0.185 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC[C@H](NC(=O)C(N)=O)C(C)(C)C1 1073479101 GVDRLDDROIXNOA-ZUZCIYMTSA-N 311.382 -0.458 30 20 DBED C=C[C@H](CC)CC(=O)NCC1(O)CCN(C(=O)C(N)=O)CC1 1074703470 GRGHUPHMMLQLHL-LLVKDONJSA-N 311.382 -0.456 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(C(=O)CC(=O)NC)[C@@H](C)C1 1074891391 GKXOKVYTJBOIRD-RYUDHWBXSA-N 311.382 -0.179 30 20 DBED C[C@@H](CCNC(=O)c1c[nH]c(C#N)c1)NC(=O)Cn1nccn1 1076216562 GIGCUMARRDZXFY-JTQLQIEISA-N 315.337 -0.197 30 20 DBED C#CCCCC(=O)N[C@@H](C)CCNC(=O)CC(=O)NCC#C 1076218797 GQDZOKLRVCEQGA-ZDUSSCGKSA-N 305.378 -0.060 30 20 DBED CC(C)C#CC(=O)NCC[C@H](C)NC(=O)CN1CCNC(=O)C1 1076414741 JZPUHZKVOOSEDG-ZDUSSCGKSA-N 322.409 -0.911 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)c2cnc(C)nc2OC)C1 1077101323 MOGUJBIPDPFUQV-CHWSQXEVSA-N 304.350 -0.408 30 20 DBED C[C@@H](CCNC(=O)[C@@H](C)C#N)NC(=O)c1nnc(O)nc1O 1078131014 UAHIFVJOJOGRRS-BQBZGAKWSA-N 308.298 -0.933 30 20 DBED C#CCN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)CN1CC(=O)N(C)C1=O)C2 1079087411 RZWSCRVURDCWLB-JHJVBQTASA-N 318.377 -0.517 30 20 DBED C=CCN1CC[C@@H](N2C[C@@H](NC(=O)c3nc[nH]n3)[C@H](C)C2)C1=O 1080641095 UDEGOJYEHRUWJU-IJLUTSLNSA-N 318.381 -0.358 30 20 DBED C=CC(C)(C)CC(=O)N1CCC(CO)(NC(=O)C(N)=O)CC1 1080976454 YPDWFJLRGTYXCE-UHFFFAOYSA-N 311.382 -0.456 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(C(=O)Cc2ccon2)C[C@H]1O 1081471884 SVPXDDPNBMYRCT-GXTWGEPZSA-N 317.345 -0.434 30 20 DBED C=C(Cl)C(C)(C)C(=O)N1C[C@@H](O)[C@H](CNC(=O)C(N)=O)C1 1081719122 MUIZRYWMIJXWBK-RKDXNWHRSA-N 317.773 -0.814 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@H](CNC(=O)CCN(C)C)C1 1081731313 ZMXSKURRACPVRL-OLZOCXBDSA-N 313.398 -0.924 30 20 DBED C#Cc1cncc(C(=O)N2CCO[C@@H]3CN(CCCO)C[C@@H]32)c1 1083188481 XIIVUEMASRVEMX-JKSUJKDBSA-N 315.373 -0.030 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CC(=O)Nc3ccccc32)C1 1083684197 JVSBXNFUABKJHF-YUELXQCFSA-N 313.357 -0.093 30 20 DBED C=CCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCS(=O)(=O)N1 1085976716 DTSXKOCWXJMKSU-NEPJUHHUSA-N 301.412 -0.213 30 20 DBED C[C@H]1[C@@H](N=c2cc[nH]c(C#N)n2)CCN1C(=O)CC(=O)N(C)C 1090242933 AQPPNNCNXDZOQV-QWRGUYRKSA-N 316.365 -0.350 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2cn(C3CCC3)nn2)[C@H](O)C1 1090275215 YCBYJDABNQCNRV-TZMCWYRMSA-N 303.366 -0.199 30 20 DBED CO[C@H](C)CCC(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1O 1090400958 JOPFBQJZORAAMX-RAIGVLPGSA-N 319.365 -0.171 30 20 DBED CC#CCN1CC[C@H](NC(=O)Cc2cn(CC)nn2)[C@H](O)C1 1090440998 IGAJWXNBIRCIKI-UONOGXRCSA-N 305.382 -0.585 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1O 1090495224 OITUNOHVXCWCGH-CHWSQXEVSA-N 315.333 -0.946 30 20 DBED C=CCN1CC[C@H](NC(=O)c2ccc(C(N)=O)cn2)[C@H](O)C1 1090842731 DQRJQIJMVTUGQZ-WCQYABFASA-N 304.350 -0.469 30 20 DBED CCc1nc(C#N)cc(N2C[C@H](O)[C@H](NC(=O)[C@@H](C)C#N)C2)n1 1091079874 YNXHYZAATGWLKM-WCQGTBRESA-N 314.349 -0.264 30 20 DBED CCN(CC)CC(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@@H]1O 1091108681 JYAONMFLXWTAIW-KGLIPLIRSA-N 317.393 -0.039 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)Cn3cccn3)c3nccn32)C1 1092349346 CWBKHRYOOHZTGP-LBPRGKRZSA-N 311.349 -0.125 30 20 DBED C[C@H](CC(N)=O)C(=O)N1CCN(c2cnc(C#N)cn2)CC1 1093194611 UJCWTKXKHCKSEW-SNVBAGLBSA-N 302.338 -0.492 30 20 DBED N#Cc1ccc(N2C[C@H]3C(NC(=O)CCn4ccnn4)[C@@H]3C2)nn1 1093260162 GQWRZIHNDKHULD-VXGBXAGGSA-N 324.348 -0.419 30 20 DBED CCN(CC)C(=O)CCC(=O)NCCN=c1cc[nH]c(C#N)n1 1093665159 WUOXMIGMLPRBQK-UHFFFAOYSA-N 318.381 -0.053 30 20 DBED C[C@H]1CCN(C(=O)C(=O)NCCNc2nccnc2C#N)C1 1093870271 SSSKNWWEBHQAQZ-JTQLQIEISA-N 302.338 -0.255 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](Nc2ccc(C#N)nn2)C1 1095035130 NZVVIJMQIIYNJY-GFCCVEGCSA-N 312.333 -0.499 30 20 DBED CN(C)C(=O)CC(=O)N1CC[C@@H](N(C)c2nccnc2C#N)C1 1095156031 JBJUVXOUTSYYLP-LLVKDONJSA-N 316.365 -0.136 30 20 DBED CCNC(=O)CC(=O)N1CCC[C@@H](N=c2cc[nH]c(C#N)n2)C1 1095292196 CFGVZOVDHDQEJM-LLVKDONJSA-N 316.365 -0.301 30 20 DBED CN(CCCNC(=O)CSCC#N)c1ccc2nnnn2n1 1095473310 RDVBHUJFCPBPFI-UHFFFAOYSA-N 320.382 -0.281 30 20 DBED CC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cn1ncn(C)c1=O 1095649033 CGBHDTRPZDLWDI-AGIUHOORSA-N 303.366 -0.673 30 20 DBED C=CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H]1CCN(C)S1(=O)=O 1096143988 IJLFETFMILUVOC-MROQNXINSA-N 313.423 -0.072 30 20 DBED C[C@@H](CC(=O)N[C@@H]1CCN(c2cnc(C#N)cn2)C1)NC(N)=O 1096440021 QGTFWDQUUKQQRL-VHSXEESVSA-N 317.353 -0.510 30 20 DBED CNC(=O)NCC(=O)N[C@H]1CCN(c2ccc(C#N)cn2)C1 1096493017 HKANRNYUFKJDSI-NSHDSACASA-N 302.338 -0.423 30 20 DBED C[C@H](CC(N)=O)C(=O)N[C@H]1C[C@@H](Nc2cncc(C#N)n2)C1 1097240831 VCNCKPQVXVNHOL-BBBLOLIVSA-N 302.338 -0.081 30 20 DBED CC(=O)NCC(=O)NC[C@H]1CCCCN1c1nccnc1C#N 1097385388 JIFBVTRTUJTWKG-GFCCVEGCSA-N 316.365 -0.041 30 20 DBED C#CCCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cn1ccc(O)nc1=O 1097461134 QHUBKJOVPVOWCM-UPJWGTAASA-N 316.361 -0.306 30 20 DBED C[C@H](CNC(=O)[C@@H]1CCNC(=O)C1)Nc1cncc(C#N)n1 1097773302 ABIOXPRDGKLCNZ-NXEZZACHSA-N 302.338 -0.209 30 20 DBED CC#CCN(CCO)C1CCN(C(=O)c2cnn(C)n2)CC1 1098500222 RKKPDQCZMGVEEP-UHFFFAOYSA-N 305.382 -0.263 30 20 DBED C#CCNCc1cn([C@H]2CCN(C(=O)C3(C(N)=O)CC3)C2)nn1 1098706327 YIFFMXYFBOXNIR-LBPRGKRZSA-N 316.365 -0.960 30 20 DBED Cn1cc(C(=O)N[C@]23CCC[C@H]2CN(CC#N)C3)ncc1=O 1098950282 AQCQIXMWDSFSNG-NHYWBVRUSA-N 301.350 -0.112 30 20 DBED C#CCCCCC(=O)N[C@@H]1CCN(Cc2nnn(C)n2)C[C@@H]1O 1099787120 UDHZRWXXHOWGIE-OLZOCXBDSA-N 320.397 -0.545 30 20 DBED C#CCCCC(=O)N[C@@H]1CCN(CCn2cncn2)C[C@@H]1O 1099803929 FSGFJDXCZPYIQY-KGLIPLIRSA-N 305.382 -0.367 30 20 DBED Cn1ncc(CN2CC[C@H](NC(=O)C#CC3CC3)[C@H](O)C2)n1 1099826662 OJFGOECXSVOPFY-UONOGXRCSA-N 303.366 -0.720 30 20 DBED CN1C[C@H](C(=O)NCCN(C)c2ccc(C#N)nn2)CCC1=O 1100150922 YBCBNXUTAKMVMY-LLVKDONJSA-N 316.365 -0.231 30 20 DBED CN(CCNC(=O)[C@H]1CC[C@@H]1C(N)=O)c1ccnc(C#N)n1 1100268740 HGPPMZRVQVSCKM-UWVGGRQHSA-N 302.338 -0.588 30 20 DBED CCN(CCNC(=O)Cn1cncn1)c1ccnc(C#N)n1 1100528250 SAQRLDGXRZRVBH-UHFFFAOYSA-N 300.326 -0.418 30 20 DBED CCN(CCNC(=O)[C@@H]1CCC(=O)N1)c1nccnc1C#N 1100573091 GAGCKQFFLYBGRF-JTQLQIEISA-N 302.338 -0.431 30 20 DBED CC[C@@H](OC)C(=O)N1C[C@H]2CN(CC(=O)NCC#N)C[C@@]2(C)C1 1101157028 MEFYMEYZLXSTMA-IOASZLSFSA-N 322.409 -0.169 30 20 DBED N#Cc1nccnc1N(CCNC(=O)[C@H]1COCCO1)C1CC1 1101285833 XOXDSZUQGOVHAN-CYBMUJFWSA-N 317.349 -0.151 30 20 DBED N#Cc1ccc(N(CCNC(=O)[C@@H]2COC(=O)N2)C2CC2)nn1 1101336020 KLJYVTLAJQOVTF-NSHDSACASA-N 316.321 -0.458 30 20 DBED Cn1cnc(C(=O)NCCN(c2ccc(C#N)nn2)C2CC2)n1 1101336097 NPWWWFZJPNNYIH-UHFFFAOYSA-N 312.337 -0.124 30 20 DBED CN(CCNc1ccc(C#N)nc1)C(=O)[C@H]1CCS(=O)(=O)N1 1101626495 KMYMOZVFVDMIDU-GFCCVEGCSA-N 323.378 -0.485 30 20 DBED N#Cc1cncc(N2C[C@@H]3C[C@H]2CN3C(=O)CCNC(N)=O)n1 1102552120 CVYZXTHAZPHWIL-QWRGUYRKSA-N 315.337 -0.804 30 20 DBED CC[C@H](CNC(=O)[C@H]1CN(C)C(=O)N1)Nc1nccnc1C#N 1103261802 UAHJVFBLNYVABE-MWLCHTKSSA-N 317.353 -0.321 30 20 DBED CC(=O)NCC(=O)NCC[C@H]1CCCN1c1cnc(C#N)cn1 1103716542 WEHNRLMMWXKACD-CYBMUJFWSA-N 316.365 -0.041 30 20 DBED C[C@H](CNc1ccc(C#N)nn1)N(C)C(=O)CCNC(N)=O 1104565227 OYEIXSWXPPHVFX-SECBINFHSA-N 305.342 -0.335 30 20 DBED C[C@@H](CN=c1cc[nH]cc1C#N)N(C)C(=O)[C@@H]1CN(C)C(=O)N1 1104766412 JIQWSBJONROOHJ-GWCFXTLKSA-N 316.365 -0.342 30 20 DBED C#CCNCc1cn(C2CN(C(=O)Cc3cc(C)[nH]n3)C2)nn1 1105207054 BVTAZBITIMJDRU-UHFFFAOYSA-N 313.365 -0.342 30 20 DBED C#CCNCc1cn(C2CN(C(=O)C[C@@](C)(O)C=C)C2)nn1 1105227476 LYBFGHORPGWHIK-HNNXBMFYSA-N 303.366 -0.289 30 20 DBED CN(CCN(C)c1ncc(C#N)cc1F)C(=O)CNC(N)=O 1105343477 IQRQLUIUSVONBC-UHFFFAOYSA-N 308.317 -0.345 30 20 DBED CN1CC[C@@H](C(=O)N(C)CCN(C)c2ccnc(C#N)n2)C1=O 1105525015 MBZXJSAVGDBROB-LLVKDONJSA-N 316.365 -0.279 30 20 DBED N#Cc1nc(=NC[C@@H]2CCC[C@H]2NC(=O)CNC(N)=O)cc[nH]1 1105634859 DQZDQBFYFZXOFY-VHSXEESVSA-N 317.353 -0.865 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)CCn2cccn2)nn1 1105756412 UVIUCDZTHDZUNI-LBPRGKRZSA-N 315.337 -0.476 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H](O)CNC(=O)C1CCC(O)CC1 1105804773 ZULLAERDWYSYLB-UXUKBGGZSA-N 318.377 -0.185 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)CC2(O)CCC2)nn1 1105810834 ZAKXXLDEGHDVKZ-NSHDSACASA-N 305.338 -0.458 30 20 DBED N#Cc1nccnc1NC[C@@H](O)CNC(=O)C[C@H]1COC(=O)C1 1105819631 HKNCGEPSUIJPQG-ZJUUUORDSA-N 319.321 -0.810 30 20 DBED CC(C)(C)C#CC(=O)NC[C@H](O)CNc1ccc2nnnn2n1 1105826107 YLILRYQGVFYYRK-SNVBAGLBSA-N 317.353 -0.542 30 20 DBED C#CCOCCC(=O)NC[C@H](O)CNc1ncccc1C#N 1105967249 YCBHBWCWBPRVLK-ZDUSSCGKSA-N 302.334 -0.118 30 20 DBED CCC(=O)N[C@@H](C)C(=O)NC[C@H](O)CNc1cncc(C#N)n1 1106141058 VRSGAKJDLPUYNM-GXSJLCMTSA-N 320.353 -0.848 30 20 DBED C=CCNC[C@@H]1CN(C(=O)CN(C)S(C)(=O)=O)C[C@H]1C 1106204027 CNFZICIUGFIMNO-VXGBXAGGSA-N 303.428 -0.252 30 20 DBED C[C@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)C(C)(C)C(N)=O 1106470206 BUKSLFQZGZUHHZ-SECBINFHSA-N 304.354 -0.412 30 20 DBED CCC(=O)NCC(=O)NC/C=C\CN=c1cc[nH]cc1C#N 1107078489 KANXXNQJDUHWOU-ARJAWSKDSA-N 301.350 -0.014 30 20 DBED C#CCNC(=O)CC(=O)NC[C@]12CCC[C@H]1N(C[C@H](C)O)CC2 1107374507 UWTKVHSYJPPXRI-JJRVBVJISA-N 321.421 -0.133 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)C12CCN(CC1)C2 1107849944 YLZZCVBCKNMQED-LLVKDONJSA-N 300.366 -0.217 30 20 DBED COC[C@]1(C(=O)N[C@H](C)CN=c2cc[nH]c(C#N)n2)CCOC1 1108026203 JHPBTJHROOOUOV-IAQYHMDHSA-N 319.365 -0.260 30 20 DBED C=CCCN1CCN(C(=O)CCOC)[C@@H]2CS(=O)(=O)C[C@@H]21 1108450521 RLNFSMCSXUJWDX-QWHCGFSZSA-N 316.423 -0.091 30 20 DBED N#Cc1nc(=NCCN(CCO)C(=O)C2=CCOCC2)cc[nH]1 1111457150 LZVSXGDVKVUAKY-UHFFFAOYSA-N 317.349 -0.650 30 20 DBED N#Cc1ccc(NCCN(CCO)C(=O)c2nc[nH]n2)cn1 1111496683 WUGXCFVXXQZYIT-UHFFFAOYSA-N 301.310 -0.382 30 20 DBED C[C@H]1CN(C(=O)CNC(N)=O)C[C@@H]1Nc1ccc(C#N)nc1 1112306434 GGTPZHSMDTYWHG-CABZTGNLSA-N 302.338 -0.120 30 20 DBED CNC(=O)CC(=O)N1C[C@H](C)[C@H](N=c2cc[nH]cc2C#N)C1 1112309177 VGLLFMGIYQJQEF-GXFFZTMASA-N 301.350 -0.230 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)[C@@H](OC)C2CC2)CC1 1112815439 QOXUJWGIDDVWNF-JSGCOSHPSA-N 307.394 -0.307 30 20 DBED Cc1cc(=NCC2CC(NC(=O)CNC(N)=O)C2)c(C#N)c[nH]1 1112817166 YLCHBDBEZRYYHF-UHFFFAOYSA-N 316.365 -0.341 30 20 DBED C[C@H](N=c1cc[nH]c(C#N)n1)[C@H](C)NC(=O)Cn1cnnc1O 1112978498 MPBMXGILIFJTIW-IUCAKERBSA-N 316.325 -0.927 30 20 DBED C#CCOCCC(=O)N[C@@H](C)[C@H](C)Nc1nccn2nnnc12 1113166494 VFQITCFJHLTKRF-QWRGUYRKSA-N 317.353 -0.136 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CN(c2nccnc2C#N)CC[C@@H]1C 1113995054 WQSIAYQSJQZQDT-GXFFZTMASA-N 316.365 -0.185 30 20 DBED Cc1cc(CC(=O)NC2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]23)no1 1114074911 SLMAUJHVCNPOFL-VXGBXAGGSA-N 317.349 -0.788 30 20 DBED C=CCOCCCC(=O)NC1[C@H]2CN(CC(=O)NC(N)=O)C[C@H]12 1114111679 NACAJQBHFHXDRI-QWRGUYRKSA-N 324.381 -0.790 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)c3nn(C)cc3C)[C@@H]2C1 1114246354 RSPOXERQFVUNTR-VXGBXAGGSA-N 317.393 -0.309 30 20 DBED C=C(C)CCC(=O)N[C@H]1[C@@H]2CN(CCN3C(=O)CNC3=O)C[C@@H]21 1114352819 HYKQTYSCBREJBH-JYAVWHMHSA-N 320.393 -0.059 30 20 DBED C=CCOCCN1C[C@H]2C(NC(=O)[C@]3(C)CCNC3=O)[C@@H]2C1 1114826761 QTCMCPAAKJPOFO-XHBSWPGZSA-N 307.394 -0.238 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CCC(O)(COC)CC1 1117582491 TZOCNDUHVKGNIS-LLVKDONJSA-N 300.355 -0.697 30 20 DBED CCOC(=O)[C@H]1CCCN(C(=O)C(=O)N2CCO[C@H](C#N)C2)C1 1117819368 YJRNOWDKZHZWHV-NWDGAFQWSA-N 323.349 -0.461 30 20 DBED CC1(CO)CCN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)CC1 1118249430 MLZGAIYOHFLJLO-HNNXBMFYSA-N 309.366 -0.516 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)Cn2cccn2)cn1 1121054392 BMKXSTOIRGBYNL-ZDUSSCGKSA-N 300.322 -0.261 30 20 DBED N#Cc1nc(=N[C@@H](CO)CNC(=O)c2cncs2)cc[nH]1 1121119847 LAICSHPCNFHJFC-MRVPVSSYSA-N 304.335 -0.571 30 20 DBED Cc1cc(C(=O)NC[C@H](CO)Nc2cncc(C#N)n2)n(C)n1 1121150525 MVZWTZZHIQYUCS-LLVKDONJSA-N 315.337 -0.407 30 20 DBED CC(C)(C)C(=O)C(=O)NC[C@@H](CO)Nc1cncc(C#N)n1 1121228782 NSHOZMDKTIAYKH-JTQLQIEISA-N 305.338 -0.148 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)c2cccc(O)n2)nn1 1121426129 QETLVSPHRPZMLQ-JTQLQIEISA-N 314.305 -0.348 30 20 DBED COC1CC(C(=O)NC[C@H](CO)Nc2ccc(C#N)nn2)C1 1122176936 GHWUOUYWVMKIOR-CKBZRRDASA-N 305.338 -0.338 30 20 DBED Cn1nnc(C(=O)NC[C@H](CO)Nc2cccc(F)c2C#N)n1 1122333852 OMKBLXLMBXFPLF-MRVPVSSYSA-N 319.300 -0.576 30 20 DBED CN(C)CCCC(=O)NC[C@H](CO)N=c1cc[nH]cc1C#N 1122416619 KFPQSFCJWAUUNZ-CYBMUJFWSA-N 305.382 -0.394 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)[C@@H]1C[C@H]2C=C[C@H]1C2 1123054215 MPQWLXRPGCRMFE-RWMBFGLXSA-N 320.393 -0.084 30 20 DBED COC(=O)NCC(=O)N1C[C@H](N=c2cc[nH]c(C#N)n2)C[C@H]1C 1123213194 JVROOZDWIIXFAT-NXEZZACHSA-N 318.337 -0.473 30 20 DBED N#Cc1cnc(NC[C@@H]2CC[C@@H](NC(=O)CC(N)=O)C2)cn1 1123755064 YRCPZPJEWPJWJL-NXEZZACHSA-N 302.338 -0.080 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)[C@H]1CCCCO1 1124310251 PTBQLGYEAAHCHC-VXGBXAGGSA-N 319.365 -0.430 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]cc1C#N)C(=O)c1csnn1 1124628351 QWJUXJMPOWXZFA-JTQLQIEISA-N 318.362 -0.228 30 20 DBED C[C@H](NC(N)=O)C(=O)N(C)C1CC(Nc2ccc(C#N)nn2)C1 1126920021 MOJPDRBAMXGYIP-PUSIOWJLSA-N 317.353 -0.194 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@H]1CCCc2n[nH]cc21 1127327194 HRZARGRXXZLLNI-NSHDSACASA-N 303.366 -0.715 30 20 DBED C#CCC1(C(=O)NCCNCCN2C(=O)CNC2=O)CCC1 1129125344 QMJDIXWVCKCBKM-UHFFFAOYSA-N 306.366 -0.562 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1cc(OCC)n[nH]1 1130109696 VWOLMQQYCGQITB-JTQLQIEISA-N 307.354 -0.734 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)[C@@H]2CCCCN2C)C1=O 1130300151 JLJJHTVYMNJDCK-KBPBESRZSA-N 308.426 -0.037 30 20 DBED C#CCN1CCOC[C@H]1c1n[nH]c(CNC(=O)[C@@H](C)OCC)n1 1130832458 XEHWVKVJYMVRHT-NEPJUHHUSA-N 321.381 -0.148 30 20 DBED COC[C@@H](C)C(=O)NCc1nc([C@H]2COCCN2CC#N)n[nH]1 1130834642 DCKDRZFRMLVMHU-GHMZBOCLSA-N 322.369 -0.400 30 20 DBED C[C@H](CC(N)=O)C(=O)N1C[C@@H]2C[C@@H]3CN(CC#N)C[C@]2(C1)O3 1131251854 DUYRJTBWZVOWDM-NWJSVONSSA-N 306.366 -0.677 30 20 DBED N#CCN[C@@H]1CCO[C@H]1C1CCN(C(=O)CCNC(N)=O)CC1 1131601593 KVHTWFRCXHMQTM-OCCSQVGLSA-N 323.397 -0.446 30 20 DBED C=CCOCC(=O)N1CCC[C@@H](N2CCN(CC#N)CC2=O)C1 1131708669 ACKPZCYOIUVKCW-CQSZACIVSA-N 320.393 -0.152 30 20 DBED C=C[C@@](C)(CCOC)C(=O)NCCN[C@@H](C)C(=O)NC(N)=O 1131869828 KCFBWNNSUPVUMR-HZMBPMFUSA-N 314.386 -0.496 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)c1cnco1 1132045032 XWRSSYZCPBYGAV-SECBINFHSA-N 309.326 -0.606 30 20 DBED C=C(C)CN1C[C@@H](NC(=O)CNS(=O)(=O)NC)CC[C@H]1C 1132201100 WSVZIFAHHMKVFY-NEPJUHHUSA-N 318.443 -0.415 30 20 DBED CC#CCN1C[C@@H](NC(=O)CS(=O)(=O)N(C)C)CC[C@@H]1C 1132454537 YBMONRCRHYNAOP-STQMWFEESA-N 315.439 -0.130 30 20 DBED C[C@@H]1CC[C@@H](NC(=O)CN2CCCC2)CN1CC(=O)NCC#N 1132489669 LYDJYHSQXNLREZ-ZIAGYGMSSA-N 321.425 -0.309 30 20 DBED C=C(C)CN[C@H](C)C[C@@H](C)NC(=O)Cn1cnc(C(N)=O)n1 1134401779 WNEKYCLMWDNBAP-GHMZBOCLSA-N 308.386 -0.174 30 20 DBED C=CCNC(=O)CNCCNC(=O)CC(=O)NCC(F)(F)F 1136019286 LSOGALSPXZUTOL-UHFFFAOYSA-N 324.303 -0.937 30 20 DBED C#CCCN[C@@H](C)C[C@@H](C)NC(=O)Cn1nc(C)n(C)c1=O 1136055956 QMARJQDYGKWPJG-NWDGAFQWSA-N 307.398 -0.214 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1ncoc1-c1ccon1 1147986424 IJDAMGIXXPWQDM-UHFFFAOYSA-N 318.293 -0.711 30 20 DBED Cc1nc[nH]c1C(=O)N1CC2(CCN(CC(=O)NCC#N)C2)C1 1148924416 LYWAJHKMLDXCAT-UHFFFAOYSA-N 316.365 -0.494 30 20 DBED NC(=O)C(=O)NC[C@@H]1CN(CC#Cc2ccccc2)CCCO1 1150212986 UZLGVBMXTZPCCO-OAHLLOKOSA-N 315.373 -0.270 30 20 DBED N#CCN1CCCO[C@@H](CNC(=O)CNC(=O)c2ccco2)C1 1150664491 WLWWCMZLVNRMAX-LBPRGKRZSA-N 320.349 -0.260 30 20 DBED CN(C)[C@H](C(=O)NCCNCC(=O)NCC#N)c1cccnc1 1152604386 YCLHYGNQCOYXHA-AWEZNQCLSA-N 318.381 -0.970 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)CN(C)C(C)C 1157109734 SVPUZFJTLOODAE-CYBMUJFWSA-N 311.430 -0.207 30 20 DBED C=CCCCNCCCNC(=O)CN(C)S(=O)(=O)N(C)C 1157912489 QPLHLJRZOQDVIJ-UHFFFAOYSA-N 320.459 -0.213 30 20 DBED CNC(=O)NCC(=O)NCCC1=CCN(CC#CCOC)CC1 1160286167 OGRFZDJWYLLDSN-UHFFFAOYSA-N 322.409 -0.296 30 20 DBED C=CCNC(=O)CNCCCNC(=O)COCc1nccn1C 1160584007 HKFQTDIKBMKEAC-UHFFFAOYSA-N 323.397 -0.665 30 20 DBED N#CCNC(=O)CNCCCNC(=O)c1ccc2nonc2c1 1165650676 ITUUSQRCZYIFHV-UHFFFAOYSA-N 316.321 -0.428 30 20 DBED COCC#CCN1CCO[C@@H]2CCN(C(=O)c3ncc[nH]3)C[C@@H]21 1177000555 QZGAEDODUZKERS-UONOGXRCSA-N 318.377 -0.025 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1cnc(OCC)cn1 1177504957 KPIHMNACYJHDTN-UHFFFAOYSA-N 319.365 -0.666 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2ccnn2CC)[C@H]1C 1178538131 LKVREQZCNFEZMK-STQMWFEESA-N 317.393 -0.155 30 20 DBED N#CCNC(=O)CN[C@@H]1CCN(C(=O)CC[C@@H]2CCCO2)C1 1181066298 UYQNGPIVYHQEFD-OLZOCXBDSA-N 308.382 -0.224 30 20 DBED C[C@H]1CN(C(=O)c2cc[nH]n2)CC[C@H]1CNCC(=O)NCC#N 1183895875 BDLYKJKPOUUTDR-RYUDHWBXSA-N 318.381 -0.263 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@@H]1CCN(C(=O)CNC(=O)CC)C1 1189428920 RKNBLBUJLCUVBE-CHWSQXEVSA-N 322.409 -0.817 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@@H](N(C)Cc2cn(C)nn2)C1 1190105794 QEQALRSGTXUNEU-GXTWGEPZSA-N 305.382 -0.114 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC=CCC2)C1 1190969742 QNAXRANZHRBEPC-MGPQQGTHSA-N 305.378 -0.747 30 20 DBED C#CCN(C)[C@H]1CCN(C(=O)[C@@H](NC(=O)COC)C(C)C)C1 1192723459 KDIPPNAMRRPIDU-ZFWWWQNUSA-N 309.410 -0.061 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCCN(C(=O)[C@@H](C)CC(N)=O)CC1 1196769865 IGNLVKXQNXSVMU-QWHCGFSZSA-N 322.409 -0.830 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)CNC(=O)c2cscn2)C1 1197551346 IWYMWZSUZDJBBC-MWLCHTKSSA-N 310.379 -0.780 30 20 DBED C#CCNC(=O)CNC[C@H]1CN(C(=O)CC(C)C)CCCO1 1199725403 ZGNCVEZAIPAXHS-AWEZNQCLSA-N 309.410 -0.011 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCC(NCC(=O)NC(N)=O)CC1 1200334718 SKLXBHDVGIGZDJ-CQSZACIVSA-N 312.370 -0.911 30 20 DBED C=CCOCCNC[C@H]1CN(C(=O)CC(=O)NC)CCCO1 1200351636 KXIRULUBAGWCQM-ZDUSSCGKSA-N 313.398 -0.468 30 20 DBED C=CCCN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)CN1CCNC(=O)C1)C2 1204626813 GRELGQKFZAEYQD-RBSFLKMASA-N 320.437 -0.037 30 20 DBED C#CCNCC1CCN(C(=O)Cn2ccc(O)nc2=O)CC1 1205635189 APRYAMISXYINQM-UHFFFAOYSA-N 304.350 -0.590 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)CSCC#N)[C@H](C)C1 1206090458 WABUDGKOLSPEQD-VXGBXAGGSA-N 310.423 -0.018 30 20 DBED C#CCOCCC(=O)N1CCC[C@@H](N[C@H]2CCC(=O)NC2=O)C1 1208032014 ILAIANKJMAJGCC-OLZOCXBDSA-N 321.377 -0.588 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)CCc2cn[nH]c2)C1 1210036942 IYJPOHHPLJRDMA-AWEZNQCLSA-N 317.393 -0.328 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)[C@H](C)CCC)[C@H](OC)C1 1212053354 YWWNKTWFPMYVLC-MGPQQGTHSA-N 309.410 -0.013 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2cn(C)cn2)C[C@H]1C 1214441803 REBRTQHCQWPPAT-FRRDWIJNSA-N 317.393 -0.392 30 20 DBED CO[C@H](C(=O)N1C[C@@H](NCC(=O)NCC#N)[C@H](C)C1)C1CCC1 1215249873 VTEIBTLMUFWWFY-KYOSRNDESA-N 322.409 -0.122 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)c2cc[nH]c2C)C1 1219434434 CLATXQGZBUSEKG-BNOWGMLFSA-N 320.393 -0.211 30 20 DBED CCn1nnc(C)c1CN1C[C@H](O)[C@H](NC(=O)C#CC2CC2)C1 1219591386 AURZHSBIXNMSKL-HIFRSBDPSA-N 317.393 -0.319 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)CN2CCC(C)CC2)C1 1220599577 DZFJKACFWFFDHH-CVEARBPZSA-N 323.437 -0.471 30 20 DBED COCC#CCN1CC[C@@H]2CN(C(=O)[C@@H]3CCC(=O)N3)[C@@H]2C1 1221957896 BWASYEAIVVDQLR-HZSPNIEDSA-N 305.378 -0.553 30 20 DBED CO[C@H](C)CC(=O)N1CC[C@H]2CCN(CC(=O)NCC#N)[C@H]2C1 1222412165 OLKABPKFFOZJTE-MCIONIFRSA-N 322.409 -0.026 30 20 DBED Cn1cnc(C(=O)NCC2CCN(CC(=O)NCC#N)CC2)c1 1222797410 OAWSSBCDFRJBAU-UHFFFAOYSA-N 318.381 -0.498 30 20 DBED COCC#CCN1CC[C@@H]2CCN(C(=O)CCNC(N)=O)C[C@@H]21 1224104069 YNNPZBNHQUWJAI-KGLIPLIRSA-N 322.409 -0.383 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)CCC(=O)NCC)CC1 1226554024 GUMSZTPOQYLEHA-UHFFFAOYSA-N 322.409 -0.767 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)C2CCC(O)CC2)CC1 1227092216 WUTOJGZHOKTHLY-UHFFFAOYSA-N 321.421 -0.133 30 20 DBED C=CCNC(=O)[C@H](C)N1CCC(NC(=O)[C@@H]2CCC(=O)N2)CC1 1230078424 ULTPKYNHVNVIDP-AAEUAGOBSA-N 322.409 -0.464 30 20 DBED C=CCCN1CCC(NC(=O)CNC(=O)Cn2cncn2)CC1 1230349016 CJZKBFHHASHLQS-UHFFFAOYSA-N 320.397 -0.449 30 20 DBED CN(C[C@H]1CCN1CC(=O)NCC#N)C(=O)C[C@H]1CCOC1 1231342683 PFEFLTAEYLSTNQ-CHWSQXEVSA-N 308.382 -0.415 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)Nc1cnn(CC(=O)OC)c1C 1256409439 RRUHNFDRRDVYPG-SNVBAGLBSA-N 324.337 -0.380 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CCN(CC(=O)NC[C@@H]2CCOC2)C1 1267741372 VCOLDWAAORERDC-LSDHHAIUSA-N 321.421 -0.011 30 20 DBED CN(C)C(=O)Cn1cc(C(=O)NC2(C#N)CCSCC2)nn1 1319719844 YRUYZPMTAKSCEE-UHFFFAOYSA-N 322.394 -0.115 30 20 DBED Cc1ccc(-n2[nH]c(C(=O)NCC(=O)NCC#N)cc2=O)cc1 1323223051 ALOSDSLKBZRCJI-UHFFFAOYSA-N 313.317 -0.156 30 20 DBED CCN1CCN(CCCCNC(=O)Cn2cnc(C#N)n2)CC1 1324086659 HZHYWAOJDPOFNJ-UHFFFAOYSA-N 319.413 -0.316 30 20 DBED CNC(=O)[C@H](C)CN(C)C(=O)C(=O)Nc1ccc(C#N)cn1 1324239341 FLQXXEZPDMCDOE-SECBINFHSA-N 303.322 -0.268 30 20 DBED C#C[C@@H](C)NC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 1324361878 JUIOQHCECHITDX-SNVBAGLBSA-N 315.333 -0.906 30 20 DBED C#CCCCC(=O)N1CCN(S(=O)(=O)c2nc[nH]n2)CC1 1326353061 WTKUFRNBHFBXGM-UHFFFAOYSA-N 311.367 -0.559 30 20 DBED COC(=O)[C@@H]1CCN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)[C@H]1C 1327039352 MTMCMLALQJXWNF-FIXISWKDSA-N 323.349 -0.727 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N2CC[C@@](F)(CO)C2)CCN1C1CC1 1329865054 KMSVZYNCBVAZJA-DOMZBBRYSA-N 324.356 -0.882 30 20 DBED C[C@H](C#N)CN(C)C(=O)C(=O)N1CC[C@@H]2NC(=O)CC[C@H]2C1 1330475278 TUVWIWHPGVXSBV-WOPDTQHZSA-N 306.366 -0.268 30 20 DBED C[C@H](O)CCN(C)C(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1332019823 SZHHBIWFFSGIEG-WCQYABFASA-N 308.382 -0.586 30 20 DBED COCCN1CC[C@H](NC(=O)C(=O)N2CCC[C@@H](C#N)C2)C1 1333852422 VOORUWZHWCHLGQ-STQMWFEESA-N 308.382 -0.415 30 20 DBED CCOC[C@@H]1CN(C(=O)C(=O)N2CC[C@@](F)(C#N)C2)CCO1 1335087504 ZRCMJBTXRZQZSH-SMDDNHRTSA-N 313.329 -0.286 30 20 DBED CCCNC(=O)[C@@H](C)NC(=O)C(=O)Nc1cccc(C#N)n1 1336942651 OLGVYTDERHDNMN-SECBINFHSA-N 303.322 -0.077 30 20 DBED CN(C)c1ccc(CNC(=O)C(=O)N2CCO[C@@H](C#N)C2)cn1 1340468798 VAIWWZRPADDOTF-LBPRGKRZSA-N 317.349 -0.485 30 20 DBED C#C[C@@H](NC(=O)C(=O)Nc1cnn(CC(=O)NC)c1)C(C)(C)C 1342584169 DYNLWFPBLZRAER-LLVKDONJSA-N 319.365 -0.268 30 20 DBED CS(=O)(=O)[C@@H]1CCC[C@@H](NC(=O)NCC(=O)NCC#N)C1 1342602401 UGFRZRDICWCJHM-NXEZZACHSA-N 316.383 -0.719 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N[C@@H]1C[C@@H](OCC)[C@H]1OC 1343343781 ASCUNIAVXUKSGI-KKOKHZNYSA-N 300.355 -0.388 30 20 DBED Cc1ccnn1CC(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1 1343501566 QMEZSEZHYYBSCX-NSHDSACASA-N 324.362 -0.843 30 20 DBED CCO[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@](F)(C#N)C2)[C@H]1OC 1347233851 INDYDGSAROWWGY-OXIWPEFWSA-N 313.329 -0.241 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N2CCSCC2)CCN1C1CC1 1348537291 YKNULCLXAPYYQQ-GFCCVEGCSA-N 308.407 -0.239 30 20 DBED C=C(C)Cn1c(CCOC)nnc1N1CCO[C@@H](C(N)=O)C1 1357126841 OYGVPBFTBGMSLQ-LLVKDONJSA-N 309.370 -0.266 30 20 DBED CCC(=O)NCC(=O)NC[C@H](O)CNCc1ccc(C#N)s1 1367572441 AIRZBFPXMLDTLY-SNVBAGLBSA-N 324.406 -0.287 30 20 DBED N#Cc1c[nH]c(C(=O)NCC2(O)CN(Cc3ncccn3)C2)c1 1380578307 PDYWYZADRMESRY-UHFFFAOYSA-N 312.333 -0.347 30 20 DBED C[C@H](C#N)C(=O)NC[C@](C)(NC(=O)c1cn(C)nn1)C1CC1 1390830475 LFWRFEIYLXCPFT-OTYXRUKQSA-N 304.354 -0.011 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CCCN(C(=O)c2cc(C(N)=O)c[nH]2)C1 1398531471 HEPKRJWNTLZVNW-ONGXEEELSA-N 317.349 -0.006 30 20 DBED CC(C)[C@@H](CNC(=O)CCn1cnnn1)NC(=O)[C@@H](C)C#N 1399627864 WUEQASYQCPIKNS-WDEREUQCSA-N 307.358 -0.520 30 20 DBED Cc1nnc2n1C[C@H](C(=O)NCCN(C)C(=O)[C@H](C)C#N)CC2 1408585446 QMNTVAHOTNQEPR-ZYHUDNBSSA-N 318.381 -0.117 30 20 DBED CCc1ncncc1C(=O)NC[C@H](O)CNC(=O)[C@@H](C)C#N 1410119220 ZFXGKCMTWREZMG-VHSXEESVSA-N 305.338 -0.594 30 20 DBED N#CCOc1ccc(CNCc2cn(CC(N)=O)nn2)cc1 1414087336 RFMJNGRFUDSJNF-UHFFFAOYSA-N 300.322 -0.044 30 20 DBED C[C@H](C#N)C(=O)NCCN(C(=O)CCn1cnnn1)C1CC1 1415880646 FZGHYZXMYMGUPT-SNVBAGLBSA-N 305.342 -0.670 30 20 DBED N#C[C@H]1CCCN(C(=O)c2cn(C[C@@H]3CNC(=O)O3)nn2)C1 1419382154 XXLGJHYPDVOTEN-ZJUUUORDSA-N 304.310 -0.238 30 20 DBED COCc1noc([C@@H](C)N2CC(O)(CNC(=O)[C@@H](C)C#N)C2)n1 1421417311 JXXLYRGKNWQGLY-VHSXEESVSA-N 323.353 -0.400 30 20 DBED CCC(=O)N[C@@H](C)C(=O)NC1CN(C(=O)c2cc(C#N)c[nH]2)C1 1430225007 ZHAJTCTXHDQHFI-VIFPVBQESA-N 317.349 -0.258 30 20 DBED C[C@@H](C#N)C(=O)N1CC(CNC(=O)C[C@H]2CCCC(=O)N2)C1 1432462389 NVKLDTCYBPEEIA-CMPLNLGQSA-N 306.366 -0.221 30 20 DBED CNC(=O)NCCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)C#N 1432495092 AZAUUFXBJYTQMM-VWYCJHECSA-N 307.354 -0.723 30 20 DBED C[C@H](NC(N)=O)C(=O)NCC1(NC(=O)[C@H](C)C#N)CCCC1 1432847158 RFILXGOBHSXTIP-ZJUUUORDSA-N 309.370 -0.252 30 20 DBED C=C(Cl)CNC[C@@H](C)CNC(=O)CN(C)S(C)(=O)=O 1438497576 LCRGILISYNDTBO-SECBINFHSA-N 311.835 -0.028 30 20 DBED C[C@@H]1C[C@@H](NC(=O)Cn2cc(C#N)c(O)nc2=O)CCN1C 1445061501 XZTXNICFPFPMLA-KOLCDFICSA-N 305.338 -0.581 30 20 DBED C=C(Br)CNC[C@H](O)CNC(=O)[C@H](C)NC(N)=O 1445145981 IPPOCMFOURRFRU-YUMQZZPRSA-N 323.191 -0.982 30 20 DBED C[C@@H](C#N)C(=O)N1CCCO[C@@H](CNC(=O)Cc2nc[nH]n2)C1 1445260970 NXWPHBBKXFVHQW-QWRGUYRKSA-N 320.353 -0.759 30 20 DBED COC(=O)NCC(=O)NCC1CN(C(=O)c2cc(C#N)c[nH]2)C1 1456462974 QJIIDOMRRGHSHE-UHFFFAOYSA-N 319.321 -0.569 30 20 DBED COCC#CCN[C@H]1CCN(C(=O)[C@@H](C)CN2CCOCC2)C1 1490857293 FNSVYDJLQZEBCG-HOTGVXAUSA-N 323.437 -0.205 30 20 DBED C=C(Cl)CNC[C@H](O)CNC(=O)c1ccc(C(N)=O)cn1 1497126697 OSDCODHHBAIRAL-JTQLQIEISA-N 312.757 -0.387 30 20 DBED COCCN(CCNC(=O)[C@@H](C)C#N)C(=O)c1ncn(C)n1 1511865889 FDHSQSRBVRXVNE-JTQLQIEISA-N 308.342 -0.820 30 20 DBED C=CCOCC(=O)N1CCC[C@@H](N(C)C(=O)CNC(=O)O)C1 1573368210 BZTZYUQNFZUMQN-LLVKDONJSA-N 313.354 -0.094 30 20 DBED CC#CC[C@H](N)C(=O)N[C@H](C(=O)OCC)[C@H](O)c1cccnc1 1574962132 FZQMDHUKEAXAMU-MELADBBJSA-N 319.361 -0.096 30 20 DBED CC#CC[C@H](N)C(=O)N[C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 1574971350 CMXZPKIOKPDISY-DYEKYZERSA-N 314.407 -0.420 30 20 DBED C=CCCOCC(=O)N[C@]1(CO)CCCN(Cc2cnn[nH]2)C1 1575100877 YCJSIXUODLUHRT-OAHLLOKOSA-N 323.397 -0.160 30 20 DBED C=CCNC(=O)CS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 1588658526 OODDAIWBXMNFMT-UHFFFAOYSA-N 307.335 -0.057 30 20 DBED COC(=O)[C@@H]1C[C@@H]1CNc1cnc(C#N)c(-c2nn[nH]n2)n1 1591281436 ZPBUKQDIVJGJSL-RNFRBKRXSA-N 300.282 -0.251 30 20 DBED N#Cc1cccc(CNC(=O)Cn2cnc(-c3nn[nH]n3)n2)c1 1592701617 GSJQFFNLJWFRQP-UHFFFAOYSA-N 309.293 -0.354 30 20 DBED C[C@H]1CN(C(=O)C2CC3(CNC[C@H]3C#N)C2)C[C@@H](C(=O)O)O1 1599914363 MWUWDKULUKMYTL-ODGKMZIGSA-N 307.350 -0.174 30 20 DBED CS(=O)(=O)C1CN(c2c(C#N)cccc2-c2nn[nH]n2)C1 1605352731 JKTZDRGBOUVBOQ-UHFFFAOYSA-N 304.335 -0.028 30 20 DBED COC(=O)[C@@H](CCC(=O)O)NS(=O)(=O)N(C)C[C@@H](C)C#N 1606505130 LCYJDQAVIMARJP-DTWKUNHWSA-N 321.355 -0.681 30 20 DBED N#Cc1cscc1C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)O 1608223865 LPWQANQRPSAKBN-SECBINFHSA-N 314.344 -0.056 30 20 DBED N#Cc1cccc(-c2nn[nH]n2)c1N1CC[C@@H](CO)[C@H](O)C1 1609499464 RIZAFCIXDGYRBN-CMPLNLGQSA-N 300.322 -0.082 30 20 DBED C#CCNC(=O)CN(C)C1CCN(C(=O)[C@@H](CC)N(C)C)CC1 1717705664 QANAVSDTHUKZGO-OAHLLOKOSA-N 322.453 -0.001 30 20 DBED CCO[C@@H](C)C(=O)N1CCC[C@@H](N(C)CC(=O)NCC#N)C1 1752987246 NXXQTVVDVNDAIB-QWHCGFSZSA-N 310.398 -0.026 30 20 DBED C=CCN1CC[C@H](N[C@H](C)CCNC(=O)c2cnn[nH]2)C1=O 1753008528 FJUNXRZMWQIIKU-MNOVXSKESA-N 306.370 -0.310 30 20 DBED C#CCNC(=O)CN1CC[C@H](N(C)C(=O)c2coc(OC)n2)C1 1753443403 VJNIVWBRHFQIHU-NSHDSACASA-N 320.349 -0.421 30 20 DBED N#CCNC(=O)CNCC1(NC(=O)c2ccnnc2)CCCC1 1753508806 CXWYOWUQWKYRFW-UHFFFAOYSA-N 316.365 -0.251 30 20 DBED CC(C)[C@@H](CNC(=O)Cc1cnoc1)NCC(=O)NCC#N 1753839679 ZNLZLKFZAPUWQU-GFCCVEGCSA-N 307.354 -0.413 30 20 DBED Cn1nnc(C(=O)NC[C@@H](O)CNCC#N)c1C(F)(F)F 1753929405 BPXBVFOWZGRJTE-LURJTMIESA-N 306.248 -0.962 30 20 DBED C#CCNC(=O)CNCCCN(C)C(=O)c1cnc(C)cn1 1754357594 ZYMMMKVFKMMBDM-UHFFFAOYSA-N 303.366 -0.414 30 20 DBED CNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)C#CC2CC2)[C@@H](C)C1 1754591935 AZLVKBBUPQZZQN-WCQYABFASA-N 320.393 -0.176 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@](C)(NC(=O)CCN(C)C)C1 1754677815 AJZFAQPQSCDMGH-BBRMVZONSA-N 308.426 -0.343 30 20 DBED NC(=O)C(=O)NC[C@H]1COCCN1CC#Cc1ccc(F)cc1 1754970897 CGISOWIEEKOOGO-AWEZNQCLSA-N 319.336 -0.521 30 20 DBED C=CCN[C@@H](C)[C@H]1CN(C(=O)CN2CCCNC2=O)CCO1 1755445272 QUALIEOJZGLBHG-QWHCGFSZSA-N 310.398 -0.207 30 20 DBED C=C(C)CN(CC)C(=O)[C@H](C)NC[C@H]1C[C@H](NC(=O)C(N)=O)C1 1755477423 TYIBKQGQDLGXSL-AVGNSLFASA-N 324.425 -0.231 30 20 DBED C#CCNC(=O)CN(C)C1CCN(C(=O)c2ccnnc2)CC1 1755532956 CPKQIEBOICBZMD-UHFFFAOYSA-N 315.377 -0.238 30 20 DBED C#CCN(C)C[C@@H](O)CN(C)C(=O)c1cccc(C(=O)NC)n1 1755807796 LEGFTXNUGQHFJG-GFCCVEGCSA-N 318.377 -0.561 30 20 DBED C=CCOCC(=O)N1CC(CCO)(NC(=O)C#CC(C)C)C1 1756082091 OZRPBCKEOQKSJH-UHFFFAOYSA-N 308.378 -0.072 30 20 DBED C[C@@H](CN(C)C(=O)CSCC#N)NC(=O)Cn1cncn1 1756430818 BBYMGRVLLRYBRI-JTQLQIEISA-N 310.383 -0.502 30 20 DBED C=C[C@@H](CC)CC(=O)N[C@H](CO)CNC(=O)c1cn(C)nn1 1756518430 YRISECJBKGPPRH-QWRGUYRKSA-N 309.370 -0.376 30 20 DBED NC(=O)NCC(=O)N1CC[C@@]2(NC(=O)C#CC3CC3)CCC[C@H]12 1756611378 SAYWZXDRYJPCSJ-LRDDRELGSA-N 318.377 -0.292 30 20 DBED C=CCOCC(=O)N1CCN([C@@H]2CCCN(C(C)=O)C2)C(=O)C1 1756788083 SBPBKCDIMPFVIF-CQSZACIVSA-N 323.393 -0.129 30 20 DBED N#C[C@@H]1CNC[C@H]1NC(=O)CNS(=O)(=O)c1ccccc1 1771755095 UMVXCQXIVNBEDT-ZYHUDNBSSA-N 308.363 -0.807 30 20 DBED C[C@@H](CN)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC(=O)O 1801988670 GYZYPHAIFPORJT-YFKTTZPYSA-N 307.350 -0.693 30 20 DBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)C3=COCC3)C2)C1 1839811166 KJBLTZMUZALMDG-MRXNPFEDSA-N 320.345 -0.620 30 20 DBED C[C@H](C(=O)N(C)CCC#N)n1cnc2c1c(=O)n(C)c(=O)n2C 7029371 CFBAGOQTYUIELH-SECBINFHSA-N 318.337 -0.633 30 20 DBED C#CC[C@@H](NC(=O)CS[C@H]1CCS(=O)(=O)C1)C(=O)O 149697794 AIQDJJNEVLUIQL-DTWKUNHWSA-N 305.377 -0.501 30 20 DBED N#Cc1ccc(Cl)c(S(=O)(=O)N2C[C@@H](O)[C@H](O)C2)c1 236531252 RISHHEVEKCZPCN-NXEZZACHSA-N 302.739 -0.062 30 20 DBED COC1CCN(CCNc2c(C#N)c(=O)n(C)c(=O)n2C)CC1 301517215 DFIULXNHJBDLCT-UHFFFAOYSA-N 321.381 -0.522 30 20 DBED O=S1(=O)C[C@H](/N=C(/O)c2cnc[nH]2)[C@@H](N2CCOCC2)C1 329171964 KHUDHDFAVNUQLO-QWRGUYRKSA-N 314.367 -0.788 30 20 DBED O=S1(=O)CCC[C@H](N/C(O)=N/C[C@]2(O)CCSC2)C1 329356526 FURDJCVANFZSCO-GXSJLCMTSA-N 308.425 -0.065 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@H]1CN(C)CCN1C 330386646 MGXLZYLAGLGKFE-STQMWFEESA-N 317.459 -0.452 30 20 DBED CNC(=O)Cn1cc(N=C(O)N[C@@H]2CCN(C(C)C)C2=O)cn1 330654401 LURYXJROVKVNTF-LLVKDONJSA-N 322.369 -0.227 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N1CC[C@@H](C)S(=O)(=O)CC1 331914445 GFTFPJBDUOLVGX-WDEREUQCSA-N 323.440 -0.168 30 20 DBED C[C@@H]1N(S(=O)(=O)N2CCO[C@@H](C#N)C2)CCOC1(C)C 336943231 LCIVFKNBMOWANJ-QWRGUYRKSA-N 303.384 -0.045 30 20 DBED CCN(CC)C[C@@H](C)NS(=O)(=O)N1CCO[C@H](C#N)C1 337188601 QLGHBAOMTMKJPB-VXGBXAGGSA-N 304.416 -0.225 30 20 DBED N#CCN(CC#N)C(=O)[C@H]1CC[C@@H](C(=O)N2CCOCC2)O1 342248209 DFDIMVBTSUBMIP-NEPJUHHUSA-N 306.322 -0.731 30 20 DBED N#Cc1cccnc1N1CCN(C(=O)C(=O)NCC(F)F)CC1 347510372 AYULSQFQOHJMNX-UHFFFAOYSA-N 323.303 -0.017 30 20 DBED COC(=O)CN(CC#N)C(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 348805129 SZQMQIUWAHAJHM-MRVPVSSYSA-N 321.255 -0.078 30 20 DBED Cc1onc(CC(=O)N(C2CC2)[C@@H]2CC(=O)NC2=O)c1C#N 354396427 JDWNZBDEIZIGDB-LLVKDONJSA-N 302.290 -0.197 30 20 DBED C=C[C@H](CO)NC(=O)C(=O)Nc1ncn(C2CCCCC2)n1 354671962 QGUNXJISLMUOHR-SNVBAGLBSA-N 307.354 0.385 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@H]3CCN[C@@H]3C2)C1=O 372879019 OQRGYSJBJIVUCI-GHMZBOCLSA-N 320.349 -0.826 30 20 DBED CN(CCC#N)S(=O)(=O)N1CCC[C@H]1C(=O)NC1CC1 408107794 QSSKELOIVYHEED-NSHDSACASA-N 300.384 -0.180 30 20 DBED CC(C)NC(=O)C(=O)N1CCN(C(=O)[C@@H](N)CCCC#N)CC1 424068459 ZEZCNWGXSQEMMH-LBPRGKRZSA-N 323.397 -0.797 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(CCO)C2CCC2)C1=O 440176498 PBHBPHFSMYSNJY-UHFFFAOYSA-N 309.322 -0.663 30 20 DBED C#CC(C)(C)NC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 490656072 HDRQYHXVYJHVTG-QWRGUYRKSA-N 312.391 -0.450 30 20 DBED CNS(=O)(=O)C[C@@H]1CCCN1S(=O)(=O)CCCC#N 494787317 ZJSDQYIPTGABHR-JTQLQIEISA-N 309.413 -0.366 30 20 DBED CNS(=O)(=O)[C@H]1CCCN(S(=O)(=O)CC2(C#N)CC2)C1 545914395 UXZPBSQWNZBZKM-JTQLQIEISA-N 321.424 -0.366 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@@H](CC(=O)OC)C(=O)O 568002586 GQHULHUAWANSBX-IUCAKERBSA-N 321.355 -0.681 30 20 DBED Cn1c(N[C@@H]2CCN(CC(F)F)C2)c(C#N)c(=O)n(C)c1=O 580764379 KZBXRSPEMBRFQK-MRVPVSSYSA-N 313.308 -0.293 30 20 DBED Cc1[nH]nc(NC(=O)[C@H]2CCCCN2S(C)(=O)=O)c1C#N 588718246 LJWIRDFRRDLGRG-SNVBAGLBSA-N 311.367 0.342 30 20 DBED CC[C@@H](NC[C@@H](O)CN(C)CCC#N)C(=O)N1CCOCC1 591750403 XKAOFMKNDHHSDS-ZIAGYGMSSA-N 312.414 -0.580 30 20 DBED C=CCn1cc(C(=O)N2CCC[C@@H]2C(=O)NCC(=O)OC)nn1 592638715 LGQDCASGWMXUGP-LLVKDONJSA-N 321.337 -0.642 30 20 DBED COCCN(CCC#N)S(=O)(=O)N(C)C[C@H]1COCCO1 594841601 CBJOKTFFCGNFSU-LBPRGKRZSA-N 321.399 -0.560 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@H]1C[C@H](C(=O)OC)C1 595398738 ANRLTDMTIHOFDV-XYPYZODXSA-N 319.383 -0.366 30 20 DBED CNS(=O)(=O)N1CCN(C(=O)NCCCCC#N)CC1 596264779 DCXBBNPYMOPSRW-UHFFFAOYSA-N 303.388 -0.528 30 20 DBED C=C[C@@H](O)C(=O)N1CCN(c2nccn3cnnc23)[C@H](C)C1 612683054 JJBDWARPYZAQFT-GHMZBOCLSA-N 302.338 -0.292 30 20 DBED CC#CC[C@H](CO)NC(=O)NCCCN(C)S(=O)(=O)CC 645175395 CWHMXFFLTMDTAK-GFCCVEGCSA-N 319.427 -0.269 30 20 DBED Cc1c[nH]nc1C(=O)NCC#CCNC(=O)c1n[nH]cc1C 669615700 MMVFHSDBLGIBTN-UHFFFAOYSA-N 300.322 -0.087 30 20 DBED CC#CC[C@H](CO)NS(=O)(=O)c1cc(C(=O)O)n(C)c1 717773844 IGDYMBXIXMVWBG-SECBINFHSA-N 300.336 -0.224 30 20 DBED C#Cc1ccc(C(=O)OCC(=O)NCC(=O)N2CCCC2)nc1 729009861 FOVIYRYPFWFVKG-UHFFFAOYSA-N 315.329 -0.042 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H](CS(N)(=O)=O)C1 732092282 IYYHTXOXDHAYFN-OLZOCXBDSA-N 313.423 -0.389 30 20 DBED CN(CCNC(=O)NCCN/C(O)=C1/N=CC=CC1=O)C1CC1 732891564 NLOXAUDSHDMKCD-YPKPFQOOSA-N 321.381 -0.094 30 20 DBED COCC#CCOC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 762836241 AWIDAFBFIAIPGC-AAXDQBDMSA-N 307.302 -0.658 30 20 DBED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCCNC(=O)C2)CC1 774606893 INYCBRSPZHUGQH-AWEZNQCLSA-N 321.425 -0.499 30 20 DBED N#C[C@@H]1CN(C(=O)[C@H](O)[C@@H](O)c2nc3ccccc3[nH]2)CCO1 779767922 JSUUHZXZVSJMEP-OASPWFOLSA-N 316.317 -0.292 30 20 DBED COC(=O)COc1ccc(C=NOCC(N)=O)cc1[N+](=O)[O-] 788725765 OJXFKQSFWMUCGV-UHFFFAOYSA-N 311.250 -0.018 30 20 DBED C#CCC[C@@H](O)CNC(=O)N[C@@H](CC)C(=O)N1CCOCC1 798433605 PRCIZOTUQYIBJA-OLZOCXBDSA-N 311.382 -0.303 30 20 DBED N#Cc1cccc(S(=O)(=O)NCC(=O)NN2CCCC2=O)c1 810854931 TUKDTZCKYRIONU-UHFFFAOYSA-N 322.346 -0.510 30 20 DBED Cn1ccnc1[C@@](O)(CC(=O)NCC#CCO)C(F)(F)F 816536932 OBEWESDYTJHCHY-NSHDSACASA-N 305.256 -0.328 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)CSC2CC2)CC1 831579502 FTHMQZNNBLGMIL-UHFFFAOYSA-N 317.436 -0.506 30 20 DBED CCn1ncc(C(=O)Cn2c(=O)c(C#N)cn(CC)c2=O)n1 841669437 SUWVYJZOGNYDMD-UHFFFAOYSA-N 302.294 -0.604 30 20 DBED C=C[C@H](C)ONC(=O)N1CCN(C(=O)Cn2cnnn2)CC1 844285345 CWXZUKWBBGCPSS-JTQLQIEISA-N 309.330 -0.967 30 20 DBED N#Cc1cccc(OCC(=O)NN2CCS(=O)(=O)CC2)c1 862736555 AIYXXMQVNWLILQ-UHFFFAOYSA-N 309.347 -0.301 30 20 DBED CC(C)[C@](C)(C#N)NC(=O)CN1C[C@H]2C(=O)N(C)C(=O)[C@H]2C1 879532102 POQINWBFJMVJIB-RWSFTLGLSA-N 306.366 -0.413 30 20 DBED N#CCCN(Cc1cccnc1)C(=O)CN1CCNC(=O)C1 900402286 MCCWTUOZNDGHKF-UHFFFAOYSA-N 301.350 -0.244 30 20 DBED N#Cc1cnn2cc(CNCCC(=O)N3CCOCC3)cnc12 917140394 JZKAQGKTXLKBJM-UHFFFAOYSA-N 314.349 -0.061 30 20 DBED C#CCNC(=O)COC(=O)CCCS(=O)(=O)N1CCCC1 919554455 FPOLKTZFROAOKB-UHFFFAOYSA-N 316.379 -0.515 30 20 DBED C#CCN1CCC(NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)CC1 928655843 AMJOPJQJLQOFGN-LBPRGKRZSA-N 315.377 -0.024 30 20 DBED C#CC1(O)CN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C1 934447725 GEGZQROOFZVQAR-CQSZACIVSA-N 304.394 -0.641 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2CCCCN(C(=O)C(N)=O)C2)cn1 943402672 DHPRISVQSFWMLE-ZDUSSCGKSA-N 314.345 -0.341 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)CN2CCNC(=O)C2)C[C@@H]1C 947620908 QROMNOXABBQTAA-UONOGXRCSA-N 308.426 -0.037 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]1CNC(=O)c1cnc2[nH]nnc2c1 950599367 ADMULAIIJUTQCU-PSASIEDQSA-N 313.321 -0.157 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@]2(CCN(C(=O)Cn3cncn3)C2)C1 953210098 FPWSJKPRJSDBMM-DOMZBBRYSA-N 316.365 -0.111 30 20 DBED C#CCN1C[C@H](CNC(=O)c2cc(C3CC3)nn2C)[C@@H](O)C1 958110416 HAIJXUCOOQADBM-WFASDCNBSA-N 302.378 -0.047 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cc3c([nH]2)CCOC3)C1 958130664 HQYGZSDOFUUHIK-SWLSCSKDSA-N 303.362 -0.257 30 20 DBED CC(=O)Nc1nc(C(=O)NC[C@@H]2CN(CC#N)C[C@@H]2O)cs1 958199126 DFILSWDGRUIGDD-KOLCDFICSA-N 323.378 -0.352 30 20 DBED CC(=O)Nc1cc(C(=O)NC[C@H]2CN(CC#N)C[C@@H]2O)ccn1 958488502 BBLGDKSSTRGILT-STQMWFEESA-N 317.349 -0.414 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](CNC(=O)c2nccnc2C(N)=O)C1 958655105 ZZKHXDXHFHMCPL-GHMZBOCLSA-N 319.365 -0.826 30 20 DBED C#CCN1C[C@H]2[C@H](NC(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)[C@H]2C1 961744365 NBGFHGIKZOPPJB-BJJPWKGXSA-N 305.378 -0.698 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1[C@@H]2CN(CC(=O)NC3CC3)C[C@@H]12 961815940 PASPWRRGORKOCL-SYQHCUMBSA-N 319.405 -0.098 30 20 DBED CN(CC#N)[C@H]1CCN(C(=O)[C@@H]2CCc3nnc(O)n3C2)C1 971816996 CVBJUZZYZSUYPQ-MNOVXSKESA-N 304.354 -0.398 30 20 DBED C=C(C)CN(C)[C@@H]1CCN(C(=O)CN2CCN(C)C(=O)C2)C1 971818776 QVBJACLQSAUIOD-CQSZACIVSA-N 308.426 -0.131 30 20 DBED C#CCN(C)[C@@H]1CCN(C(=O)CCc2nnc(O)nc2O)C1 971852436 BIFPZBRZDGQYLN-SNVBAGLBSA-N 305.338 -0.619 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@]2(CN(CCn3cncn3)CCO2)C1 972298190 RBNMBUMAHFMRRT-HIFRSBDPSA-N 318.381 -0.259 30 20 DBED C#CCCN1CCO[C@@]2(CCN(C(=O)[C@H]3CCCC(=O)N3)C2)C1 972426010 RFPJQPHRDDAFPA-PBHICJAKSA-N 319.405 -0.018 30 20 DBED C#CCCN1C[C@H](NC(=O)Cn2ncn(C)c2=O)C(C)(C)C1 974753837 GEEWGNODYQAOLZ-LBPRGKRZSA-N 305.382 -0.568 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)[C@H]3COCCN3C)[C@H]2C1 976397398 XDKGURFCVGMBSL-LBELIVKGSA-N 306.366 -0.950 30 20 DBED Cn1nnc2c(C(=O)NC[C@H]3[C@@H]4CN(CC#N)C[C@H]34)ccnc21 978638139 GRYRFKMMZQXUCQ-CNDDSTCGSA-N 311.349 -0.206 30 20 DBED C[C@@H]1C[C@H](NCc2nnn(C)n2)CN1C(=O)c1ccc(C#N)[nH]1 988649357 BRDRGZDAPRFNJJ-KOLCDFICSA-N 314.353 -0.197 30 20 DBED C#CCN1CCC(C(=O)N[C@H]2CCN(C(C)=O)C[C@@H]2O)CC1 991544318 NEXAURXUIYLYGC-GJZGRUSLSA-N 307.394 -0.571 30 20 DBED N#CCN1CC[C@@]2(NC(=O)c3nnc(O)nc3O)CCC[C@@H]12 991627517 SYTXVWLEHAVFEU-OQPBUACISA-N 304.310 -0.467 30 20 DBED C#CCCN1CC[C@@]2(NC(=O)Cn3c(O)nnc3O)CCC[C@H]12 992451314 XQBUWDBAEUOAOP-NHYWBVRUSA-N 319.365 -0.174 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCCN(CC(N)=O)[C@@H]2C)nn1 993947442 HFRIFNBYTHUSFE-MNOVXSKESA-N 306.370 -0.468 30 20 DBED Cc1nn(CC(=O)N[C@H]2CCCN(CC#N)[C@H]2C)c(=O)n1C 994300107 ZVBUEHFKNHDGLE-JQWIXIFHSA-N 306.370 -0.617 30 20 DBED C=CC(C)(C)C(=O)N1CC(NC(=O)c2cc(=O)n(C)cn2)C1 994785528 ACZKMCYEGAZLOM-UHFFFAOYSA-N 304.350 -0.067 30 20 DBED N#CCN1CC[C@@H](n2cc(CNC(=O)[C@@H]3COCCO3)nn2)C1 999955461 KWNZGJBOBZHAMA-OLZOCXBDSA-N 320.353 -0.920 30 20 DBED C#CCN1CC[C@@H](n2cc(CNC(=O)[C@@H]3COCCO3)nn2)C1 999957666 WRYCXIBNVFZMCL-KGLIPLIRSA-N 319.365 -0.810 30 20 DBED C[C@@H](C#N)C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cn(C)nn1 1002382198 UBBAJCTYPUPMAQ-XNDJQWLSSA-N 302.338 -0.164 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](NC(=O)Cn2nccn2)C(C)(C)C1 1008188394 ISHJHTVDYUQWSC-GHMZBOCLSA-N 304.354 -0.209 30 20 DBED Cc1nonc1C(=O)NCC1[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]12 1009203320 FEHHDWLWQFGDHS-GGVZMXCHSA-N 303.322 -0.028 30 20 DBED CC(=O)N1CC[C@@H](C(=O)N2CCN(C(=O)C#CC3CC3)CC2)C1 1011109115 OZRHPNDDTDCVCI-OAHLLOKOSA-N 317.389 -0.061 30 20 DBED N#Cc1ccc(C(=O)N2C[C@@H]3C(NC(=O)c4cnon4)[C@H]3C2)[nH]1 1013637686 FKBGQRDWMXZRMM-IUCAKERBSA-N 312.289 -0.230 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2CCCN(C(=O)C(N)=O)[C@H]2C)nc1 1015108218 XJIBWNGTFMMCTR-JQWIXIFHSA-N 314.345 -0.343 30 20 DBED CC#CCN1CC[C@@H](NC(=O)[C@@H]2CCc3nnnn3CC2)C1 1015730909 HMLKMBOXAHICFB-CHWSQXEVSA-N 302.382 -0.161 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)CN2CCS(=O)(=O)CC2)C1 1016240733 UQYCENBPIIWHMD-ZDUSSCGKSA-N 315.439 -0.517 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)C2CS(=O)(=O)C2)[C@@H]1C 1020536902 GPUUUZPSPHQUHT-QXEWZRGKSA-N 313.379 -0.704 30 20 DBED CC#CCN1CCC[C@H](CNC(=O)c2cnc(O)n(C)c2=O)C1 1023528390 KUEWREKJNYJPKQ-GFCCVEGCSA-N 318.377 -0.049 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ncn(C)n2)C1 1023592508 CLOHZHRPSMVYCG-NXEZZACHSA-N 307.354 -0.671 30 20 DBED C#Cc1ccc(C(=O)NC2CN(Cc3nnnn3C3CC3)C2)nc1 1031278042 ABIFXZDKPKYZLQ-UHFFFAOYSA-N 323.360 -0.002 30 20 DBED C#CCN1CCO[C@H](CNC(=O)c2cn(C)c(C)cc2=O)C1 1035411726 IFTQHOBXMOCTNE-CYBMUJFWSA-N 303.362 -0.242 30 20 DBED C=CCN1CCO[C@@H](CNC(=O)[C@@H]2CCc3nncn3C2)C1 1035609881 SKYDTHHPUXLZLK-OLZOCXBDSA-N 305.382 -0.157 30 20 DBED Cn1nnnc1CN1C[C@H]2C[C@H]1[C@H]2NC(=O)c1c[nH]c(C#N)c1 1037370306 DMKJEBCSBXSXIP-CDMKHQONSA-N 312.337 -0.587 30 20 DBED C=CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)Cn1ncn2nccc2c1=O 1037605276 IIEZYZWBEGOAEH-OSMZGAPFSA-N 314.349 -0.734 30 20 DBED N#CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1ccccc1-n1cnnn1 1037717578 IQYJBWDWVAYTQF-DDTOSNHZSA-N 309.333 -0.012 30 20 DBED C[C@H]1[C@@H](Nc2ccc(C#N)nn2)CCN1C(=O)[C@@H]1CNC(=O)N1 1040234003 IJDSTNFMDALHHE-LSJOCFKGSA-N 315.337 -0.569 30 20 DBED C[C@H]1CN(C(=O)C(N)=O)CC[C@H]1CNc1cncc(C#N)n1 1040442284 OHCHDFTVMYDPSR-UWVGGRQHSA-N 302.338 -0.270 30 20 DBED CC#CCCCC(=O)NC[C@]1(O)CCN(C(=O)CC(N)=O)C1 1040608554 DNFXLSVNRYSQGE-OAHLLOKOSA-N 309.366 -0.865 30 20 DBED C=CCOCC(=O)N1CC[C@](O)(CNC(=O)c2ccncn2)C1 1040655834 IWPJQJVRSWUIIU-HNNXBMFYSA-N 320.349 -0.628 30 20 DBED C=CCCCC(=O)NC[C@@]1(O)CCN(C(=O)c2cnnn2C)C1 1040730643 ZXMMYEPSKHMJEJ-HNNXBMFYSA-N 321.381 -0.135 30 20 DBED CC(=O)CCCC(=O)N1CC[C@](O)(CNC(=O)[C@@H](C)C#N)C1 1040762384 HZXPHJQMRAHIAH-NHYWBVRUSA-N 309.366 -0.015 30 20 DBED N#Cc1nccnc1N1C[C@@H](O)[C@H](NC(=O)c2ccccn2)C1 1040909682 MTYFBFSVZWMUHL-CHWSQXEVSA-N 310.317 -0.277 30 20 DBED Cn1cccc1C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1O 1040916489 FATUARVOISBVNV-DGCLKSJQSA-N 312.333 -0.334 30 20 DBED C#CCN1CC[C@H]2CCN(C(=O)CN3C(=O)CN(C)C3=O)C[C@@H]21 1042345239 KFCLMGCMQWMWES-STQMWFEESA-N 318.377 -0.564 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CC2(F)F)C1 1042919602 LZSIJTBDAWKNRC-JTQLQIEISA-N 316.304 -0.629 30 20 DBED CC(C)(C)C#CC(=O)NCC1(O)CN(C(=O)Cn2nccn2)C1 1042965502 AWWSTZZMTRDTID-UHFFFAOYSA-N 319.365 -0.983 30 20 DBED CN(C(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F)C1CN(CC#N)C1 1043085594 LHNPIDZJNGDTQO-ZJUUUORDSA-N 307.272 -0.001 30 20 DBED C=CCCOCC(=O)NCC1(O)CN(C(=O)C#CC(C)C)C1 1043567728 FEDXVKLYUJJOCZ-UHFFFAOYSA-N 308.378 -0.072 30 20 DBED C=CCn1cc(C(=O)N2CC[C@@H](NCC(N)=O)C[C@@H]2C)nn1 1044778197 YGGNXMXLBSJVLM-WDEREUQCSA-N 306.370 -0.468 30 20 DBED C#CCN1C[C@H]2C[C@H](NC(=O)CN3C(=O)CCC3=O)C[C@H]1C2 1047195148 FKBBDUFGAIKZBA-RWMBFGLXSA-N 303.362 -0.262 30 20 DBED C=C(C)CN1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CC(=O)NC2=O)C1 1047650446 WHLXIUNRNRRDCR-SRVKXCTJSA-N 309.366 -0.881 30 20 DBED C#CCOCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CC2CC2)C1 1048002746 CVCPDMRGVQCISP-KBPBESRZSA-N 308.378 -0.144 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1CNCc1nnnn1C 1048253355 PDISUFHVZLPAGY-YPMHNXCESA-N 302.382 -0.192 30 20 DBED CN(C(=O)CSCC#N)[C@H]1CN(C(=O)C(F)F)C[C@@H]1O 1048301494 BWEABNAGWQRPRY-YUMQZZPRSA-N 307.322 -0.462 30 20 DBED C#CCCN1C[C@H]2CN(C(=O)c3cn(C)c(=O)cn3)C[C@H]2C1 1048943742 FRJIGGJPEPPPAR-BETUJISGSA-N 300.362 -0.193 30 20 DBED CC(C)C#CC(=O)N[C@H](C)[C@@H]1CCN(C(=O)Cn2cnnn2)C1 1049969292 QYAMDCQRLBTZRD-CHWSQXEVSA-N 318.381 -0.314 30 20 DBED CCc1c(C(=O)NC[C@@H]2COCCN2CC#N)nnn1CC 1051111616 WSEYYIKIEIQIBQ-LLVKDONJSA-N 306.370 -0.185 30 20 DBED CC#CCN1CCOC[C@@H]1CNC(=O)[C@@H]1CN(CC)CCO1 1051251595 PZZYSYOZJNOIGI-GJZGRUSLSA-N 309.410 -0.453 30 20 DBED N#CCN1CCc2c(CNC(=O)[C@@H]3CNC(=O)N3)cccc2C1 1051298944 BEVBTWQNZCNFHW-AWEZNQCLSA-N 313.361 -0.134 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@H](CNCc2ccn(C)c(=O)c2)C1 1051494506 IWIAZRIGGMXBOC-TZMCWYRMSA-N 318.377 -0.138 30 20 DBED N#Cc1cnc(N2CC[C@H](NC(=O)c3cc[nH]n3)[C@@H](O)C2)cn1 1051614819 WVZYPHNGYMGMDZ-JQWIXIFHSA-N 313.321 -0.559 30 20 DBED N#CCN1CCN([C@H]2CCN(C(=O)[C@@]34COC[C@@H]3C4)C2)CC1 1052031783 WRUCLXCTKURGHN-DZKIICNBSA-N 304.394 -0.235 30 20 DBED C#CCN1CCC[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)CC1 1052760483 GYPBAKKAUUQULI-GFCCVEGCSA-N 318.377 -0.699 30 20 DBED C#CCN1CC2(C1)CN(C(=O)[C@H]1CCc3nn[nH]c3C1)CCO2 1053507084 BUYPWQGRJNPWLX-LBPRGKRZSA-N 315.377 -0.544 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)[C@@H]1CCCN1C(N)=O)CCO2 1053550460 UIYZZRARXPZOOM-ZDUSSCGKSA-N 320.393 -0.534 30 20 DBED C[C@H](C(=O)N1CCOC2(CN(CC#N)C2)C1)c1cnn(C)c1 1053553117 KHRJICNSCOXHCG-LBPRGKRZSA-N 303.366 -0.040 30 20 DBED C=CCOCC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CCNC3=O)C[C@@H]2C1 1055250583 FZKOXRNFYYWHHH-FRRDWIJNSA-N 321.377 -0.758 30 20 DBED CC(C)N(C)CC(=O)N[C@]1(CO)CCCN(C(=O)[C@H](C)C#N)C1 1055980835 RGRDAJHHHFRESS-CZUORRHYSA-N 324.425 -0.044 30 20 DBED C=CCOCC(=O)N1CCC[C@](CO)(NC(=O)c2nc[nH]n2)C1 1056045961 WHXGZCORGBMZRS-AWEZNQCLSA-N 323.353 -0.909 30 20 DBED C=C1CCC(C(=O)N[C@]2(CO)CCCN(C(=O)C(N)=O)C2)CC1 1056104200 BFIDTQKVYZFMIN-MRXNPFEDSA-N 323.393 -0.312 30 20 DBED CN(c1nccn2nnnc12)[C@H]1CCN(C(=O)C#CC2CC2)C1 1056912963 BOILATUYZIOGCC-LBPRGKRZSA-N 311.349 -0.030 30 20 DBED C#CCO[C@H](C)C(=O)NCCN(CCO)C(=O)/C=C\C1CC1 1057271340 KPCYYKMLHYLFCK-FMFIFOJESA-N 308.378 -0.072 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)C1(C(=O)NC)CC1 1057439261 FBZCXVSLSUVOJF-UHFFFAOYSA-N 323.393 -0.747 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)[C@H]1CC(=O)N(C)C1 1057446594 FTXKDXUKGZSCDN-ZDUSSCGKSA-N 323.393 -0.795 30 20 DBED O=C(CCc1ncc[nH]1)NCCN(CCO)C(=O)C#CC1CC1 1057531419 NFXXRTCGLNKADJ-UHFFFAOYSA-N 318.377 -0.307 30 20 DBED Cc1noc(CCC(=O)N(CCO)CCNC(=O)[C@@H](C)C#N)n1 1058267729 IOUKZORRYYJCEW-JTQLQIEISA-N 323.353 -0.593 30 20 DBED N#Cc1ccc(N2CCC3(CC2)C[C@H]3NC(=O)C(N)=O)nn1 1058646015 WAHCMVKWFKXOSD-SNVBAGLBSA-N 300.322 -0.691 30 20 DBED N#Cc1cnc(N[C@H]2CCN(C(=O)[C@@H]3CCNC3=O)C2)cn1 1059020034 PXNWOLSZOYFHJL-GXSJLCMTSA-N 300.322 -0.503 30 20 DBED CN1C[C@H](C(=O)N2CC[C@H](N=c3cc[nH]cc3C#N)C2)NC1=O 1059023168 PEUGVKNATDQBJG-WCQYABFASA-N 314.349 -0.588 30 20 DBED C=CCOCC(=O)N1CC[C@@H](CCNC(=O)CNC(N)=O)C1 1059335105 MOQYCAPZLGZFLW-LLVKDONJSA-N 312.370 -0.788 30 20 DBED C=CCOCC(=O)N1CC[C@H](CCNC(=O)c2cnn(C)n2)C1 1059335148 NRDVRBQGZVDBRS-LBPRGKRZSA-N 321.381 -0.014 30 20 DBED Cc1nc(CC(=O)NC[C@@H]2COCCN2C(=O)[C@H](C)C#N)n[nH]1 1061575655 WGVUKMSJFTYRIT-MWLCHTKSSA-N 320.353 -0.841 30 20 DBED C=CC(C)(C)C(=O)NC[C@@H]1COCCN1C(=O)[C@H]1CCC(=O)N1 1061753567 OFIRLSKALWTTHS-VXGBXAGGSA-N 323.393 -0.179 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)CSCC#N 1061845695 KQAINKICNPYGSJ-MNOVXSKESA-N 310.379 -0.254 30 20 DBED C=CCCC(=O)N1CCOC[C@@H]1CNC(=O)[C@H](COC)OC 1061877880 ZCPICHQUMJIKJO-STQMWFEESA-N 314.382 -0.042 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)Cn2cnnc2O)CCC1 1062831623 MSVPKDRWFXEQPK-SECBINFHSA-N 306.326 -0.702 30 20 DBED N#Cc1nc(=NC[C@H]2CCCN2C(=O)[C@H]2COC(=O)N2)cc[nH]1 1063479273 VYYXRFHLEKTSSO-NXEZZACHSA-N 316.321 -0.719 30 20 DBED Cn1ncc(C(=O)N2CCC[C@H]2CN=c2cc[nH]c(C#N)n2)n1 1064928459 USVLSLBNWBBXFU-JTQLQIEISA-N 312.337 -0.385 30 20 DBED CCNC(=O)CC(=O)N1CCO[C@@H](CNC(=O)[C@@H](C)C#N)C1 1065066876 FATUHATXWBLPPO-QWRGUYRKSA-N 310.354 -0.984 30 20 DBED CC#CCCCC(=O)N1CCO[C@H](CNC(=O)CC(=O)NC)C1 1065484441 VYDPMJBRGDADQI-CYBMUJFWSA-N 323.393 -0.340 30 20 DBED Cn1cnc(C(=O)N2C[C@@H]3CN(c4nccnc4C#N)C[C@@H]3C2)n1 1065998944 AMIKMYBKDIZZBZ-PHIMTYICSA-N 324.348 -0.315 30 20 DBED N#Cc1cncc(NC[C@H]2C[C@H](NC(=O)[C@H]3COC(=O)N3)C2)n1 1068481557 RNXMRNMEWDXKOX-FXPVBKGRSA-N 316.321 -0.237 30 20 DBED CC(=O)NCC(=O)NCC1(NC(=O)C#CC(C)C)CCOCC1 1070107823 UMLSKCSGLXYKFO-UHFFFAOYSA-N 323.393 -0.437 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@@H](NC(=O)[C@@H]2CCOC2)C1 1070636041 GVONJDURUYNAQV-CHWSQXEVSA-N 321.377 -0.730 30 20 DBED CN1C[C@H](C(=O)N2C[C@H]3C[C@@H]4CN(CC#N)C[C@]3(C2)O4)CC1=O 1070806121 DBNMRYAZTXKZQY-BRXULGCHSA-N 318.377 -0.710 30 20 DBED N#CCN1CCC2(C1)CN(C(=O)CC[C@H]1NC(=O)NC1=O)C2 1073413150 RORISQCXTOKSRJ-SNVBAGLBSA-N 305.338 -0.968 30 20 DBED CC#CCN1CCCO[C@H](CNC(=O)[C@H]2CCNC(=O)C2)C1 1073572290 WTUQKGMWUDLPGK-UONOGXRCSA-N 307.394 -0.257 30 20 DBED C=CCCC(=O)N[C@@H]1CCN(C(=O)Cn2cnnn2)C[C@H]1C 1073805480 IFZZZLMZLACJIU-VXGBXAGGSA-N 306.370 -0.008 30 20 DBED CCn1cc(C(=O)N2CC[C@H]3OCCN(CC#N)[C@@H]3C2)nn1 1074372162 SJTLQFZYSFQSPA-CHWSQXEVSA-N 304.354 -0.263 30 20 DBED CNC(=O)NCC(=O)N1CC[C@@H](NC(=O)C#CC2CC2)C[C@H]1C 1074983442 FFAXMVMPGMRJKS-DGCLKSJQSA-N 320.393 -0.176 30 20 DBED C=CCN1CC[C@@H](N2C[C@@H](O)[C@H](NC(=O)CC3CC3)C2)C1=O 1076672416 SECANZUJXVPKHK-MGPQQGTHSA-N 307.394 -0.265 30 20 DBED COCC(=O)NCCC(=O)NCC[C@H](C)NC(=O)C#CC1CC1 1076894146 VHIPDTIZUSJZGU-LBPRGKRZSA-N 323.393 -0.437 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)C2CS(=O)(=O)C2)C1 1077055554 SHQGOCMQNGXWGO-VXGBXAGGSA-N 302.396 -0.842 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN2C(=O)C2CC2)C1 1077792122 BIENHMFZBJMXGT-HZSPNIEDSA-N 305.378 -0.818 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)c2ncc[nH]2)C[C@H]1O 1081441399 IDYJMSLBSVLMHA-NWDGAFQWSA-N 304.350 -0.238 30 20 DBED C=CCOCC(=O)N1C[C@H](CNC(=O)Cc2ccc[nH]2)[C@@H](O)C1 1081525169 FADQIUJKXWFGIK-JSGCOSHPSA-N 321.377 -0.305 30 20 DBED O=C(Cc1ccc[nH]1)NC[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 1081526451 UDKXHKHVLRTYKA-ZFWWWQNUSA-N 315.373 -0.094 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CCCCN1C(=O)CC(N)=O 1081973158 AMAVOIISGCXZBN-LBPRGKRZSA-N 309.366 -0.601 30 20 DBED C#CCCN1C[C@@H](NC(=O)c2cncc(C(N)=O)c2)[C@H](OC)C1 1082375481 XGDKSWNNZNRESO-ZIAGYGMSSA-N 316.361 -0.367 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CCc2nccn2C1 1083125490 UNWYKYJCTLJSIL-QLFBSQMISA-N 314.389 -0.010 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)Cc1cncn1C 1083248482 JFFTYMMLNSUZSY-LSDHHAIUSA-N 302.378 -0.103 30 20 DBED C=CCN1CC[C@H](N2C[C@H](O)[C@H](NC(=O)c3ccc[nH]3)C2)C1=O 1083337314 MOAJIBABDPEASM-RDBSUJKOSA-N 318.377 -0.424 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCc3nc(C)[nH]c3C2)C1 1083583787 RNDLJTQIYLSILA-GLQYFDAESA-N 302.378 -0.382 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2COCCN2C2CCCC2)C1 1083722693 CWWXNRPTJCYBQC-PMPSAXMXSA-N 323.437 -0.023 30 20 DBED C[C@H]1CCc2[nH]nc(C(=O)N[C@@H]3CN(CC#N)C[C@@H]3O)c2C1 1083905318 YWWIHDGRSRGXDW-BIMULSAOSA-N 303.366 -0.167 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCN(C(=O)CC)C2)C1 1083927109 ZOHFVCVGOMDWKL-MCIONIFRSA-N 309.410 -0.018 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCc3c[nH]nc3C2)C1 1084075224 BAEGTJXPAHRWHP-GLQYFDAESA-N 302.378 -0.301 30 20 DBED N#CCN[C@H]1C[C@H](CNC(=O)c2coc(S(N)(=O)=O)c2)C1 1086404575 GTQZOIXHQTWFSE-CZMCAQCFSA-N 312.351 -0.451 30 20 DBED C#CCN1CCC(C(=O)N[C@H]2CCN(CC(N)=O)[C@@H]2C)CC1 1089059223 FCRLVPOIJZZBDL-OCCSQVGLSA-N 306.410 -0.604 30 20 DBED CC(=O)Nc1cccnc1C(=O)N[C@@H]1CCN(CC#N)C[C@H]1O 1090315626 KLKHOUZLQVWKMC-DGCLKSJQSA-N 317.349 -0.271 30 20 DBED CC(=O)CCCC(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1O 1090365122 KNENOGHPWCLHCV-CHWSQXEVSA-N 317.349 -0.227 30 20 DBED CC(=O)N[C@@H](C)C(=O)N[C@H]1CCN(c2ccc(C#N)nn2)[C@@H]1C 1091922607 KYPXRGQOWHRQBZ-CWSCBRNRSA-N 316.365 -0.044 30 20 DBED CCOCC(=O)N[C@@H]1CCN(c2cncc(C#N)n2)C[C@@H]1O 1092129232 OXHKVHUXYZTLNL-NEPJUHHUSA-N 305.338 -0.559 30 20 DBED N#Cc1nccc(N2C[C@H]3C(NC(=O)CCc4nc[nH]n4)[C@@H]3C2)n1 1093240234 SOPMGWKCILGGNF-NXEZZACHSA-N 324.348 -0.350 30 20 DBED CN1C[C@@H](C(=O)NCCCNc2cnc(C#N)cn2)NC1=O 1094708630 ATKGEPCEAJTHND-JTQLQIEISA-N 303.326 -0.710 30 20 DBED Cc1nc(C)c(C(=O)N[C@H]2CC(=O)N(C3CN(CC#N)C3)C2)[nH]1 1094786704 YPXNLSGGNQNACS-NSHDSACASA-N 316.365 -0.435 30 20 DBED CC[C@@H](NC(C)=O)C(=O)NCCCN=c1cc[nH]c(C#N)n1 1094798976 HRHIFKUOFJXCNE-LLVKDONJSA-N 304.354 -0.397 30 20 DBED N#Cc1nc(=NCCCNC(=O)c2cnc3[nH]nnc3c2)cc[nH]1 1094860055 HTJFSINJCAPTCP-UHFFFAOYSA-N 323.320 -0.332 30 20 DBED N#Cc1nccnc1NCCCNC(=O)[C@H]1CCC(=O)NC1 1094884839 YSQZGPIRESHWGJ-JTQLQIEISA-N 302.338 -0.207 30 20 DBED Cn1nc(C(=O)N2C[C@H]3C[C@H](NCC#N)C[C@H]2C3)ccc1=O 1095052200 LGDUNQJBDPFGNJ-SDDRHHMPSA-N 301.350 -0.113 30 20 DBED CNC(=O)NCC(=O)NC1CCN(c2ccc(C#N)nc2)CC1 1095450083 YOBZWDYCHPFQNA-UHFFFAOYSA-N 316.365 -0.033 30 20 DBED CN(CCCNC(=O)[C@H]1CCC(=O)NC1)c1nccnc1C#N 1095777607 KZGDNGBRTLXQQD-NSHDSACASA-N 316.365 -0.183 30 20 DBED C#CCCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C1CC(=O)NC(=O)C1 1096164415 SUYBFKDUJKZFGH-AGIUHOORSA-N 303.362 -0.216 30 20 DBED CCNC(=O)CCC(=O)N[C@@H]1CCN(c2ccnc(C#N)n2)C1 1096332686 JTKKHQLMZVFURX-LLVKDONJSA-N 316.365 -0.041 30 20 DBED N#Cc1nc(=N[C@@H](CNC(=O)[C@@H]2COCCO2)C2CC2)cc[nH]1 1096600867 NVYIWMIGXOUCPG-RYUDHWBXSA-N 317.349 -0.508 30 20 DBED N#Cc1cncc(N[C@H](CNC(=O)[C@H]2COC(=O)N2)C2CC2)n1 1096662439 NSHKYEQNLOYEED-GHMZBOCLSA-N 316.321 -0.237 30 20 DBED CC(=O)N[C@@H](C)C(=O)N[C@H]1C[C@@H](Nc2ccc(C#N)nn2)C1 1097145240 ZYDUPSMZAKTPTF-KPXOXKRLSA-N 302.338 -0.068 30 20 DBED C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC#N)N1C(=O)CCC1=O 1097168974 WLGCPWAPIBDJBU-KKOKHZNYSA-N 304.350 -0.231 30 20 DBED CN(C)CCOCC(=O)N[C@H]1C[C@@H](N=c2cc[nH]c(C#N)n2)C1 1097198447 LVYAHMGNVWVRLS-TXEJJXNPSA-N 318.381 -0.593 30 20 DBED C[C@@H](CC(N)=O)C(=O)N[C@H]1C[C@@H](Nc2ccc(C#N)nn2)C1 1097240741 SAYNCCXYWVUJDV-INTQDDNPSA-N 302.338 -0.081 30 20 DBED C[C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)Nc1ccc(C#N)cn1 1098264739 QMFYLDUSKARIPN-ZMLRMANQSA-N 317.349 -0.097 30 20 DBED CN(C)CCOCC(=O)N1CCC(N(CC#N)CCO)CC1 1098532813 GFGQDDPCYIOQOY-UHFFFAOYSA-N 312.414 -0.627 30 20 DBED C[C@H](CC(N)=O)C(=O)N1CC[C@@H](CN=c2cc[nH]c(C#N)n2)C1 1098568931 VHKPLOGUHRJFQD-MNOVXSKESA-N 316.365 -0.458 30 20 DBED C#CCN1CC[C@@H](NC(=O)CCC(=O)N(CC)CC)[C@@H](O)C1 1100122753 WGJHANIEQXFUPC-KGLIPLIRSA-N 309.410 -0.180 30 20 DBED CN(CCNC(=O)[C@H]1CC[C@H]1C(N)=O)c1ccnc(C#N)n1 1100268742 HGPPMZRVQVSCKM-ZJUUUORDSA-N 302.338 -0.588 30 20 DBED CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NCCN(C)c1cnc(C#N)cn1 1100347431 HZAYBHQLVOZKHX-NWDGAFQWSA-N 316.365 -0.375 30 20 DBED N#Cc1ccc(N2CC[C@H](CNC(=O)Cn3cnnn3)C2)nc1 1100927182 AFNOIVUWLFWHSR-GFCCVEGCSA-N 312.337 -0.418 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1CNC(=O)C[C@H]1CCOC1 1101845403 WMEXRKWVPCGCJY-MGPQQGTHSA-N 322.409 -0.263 30 20 DBED C[C@@H](CN=c1cc[nH]cc1C#N)N(C)C(=O)CCNC(N)=O 1104564843 IGEKVHMIAINYDD-JTQLQIEISA-N 304.354 -0.308 30 20 DBED CN1CCO[C@H](C(=O)N(C)CCN(C)c2ccc(C#N)nn2)C1 1105355431 NDUPRSXCVGKMJW-ZDUSSCGKSA-N 318.381 -0.427 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H]1CCC[C@H]1NC(=O)CC(N)=O 1105651349 KHDWDXDKLNBHGC-ZWNOBZJWSA-N 301.350 -0.053 30 20 DBED C[C@@H]1CN(C(=O)[C@H]2CCCO2)C[C@H]1CNCC(=O)NCC#N 1105796344 OJBSETHHPYGENK-JHJVBQTASA-N 308.382 -0.511 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](O)CNC(=O)c2cncnc2)n1 1105803166 WHJDIRGRMCOAAD-LBPRGKRZSA-N 313.321 -0.351 30 20 DBED C[C@@H](C(=O)NC[C@@H](O)CN=c1cc[nH]cc1C#N)n1cncn1 1105828214 AWMHOGMAIWHJDU-JQWIXIFHSA-N 315.337 -0.883 30 20 DBED Cn1cncc1C(=O)NC[C@H](O)CNc1cncc(C#N)n1 1106010895 HIGBALDNHFQMDS-SNVBAGLBSA-N 301.310 -0.715 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)[C@H](C)NC(=O)COC)C[C@H]1C 1106167938 SPHBLKJCGQKPOU-HZSPNIEDSA-N 309.410 -0.155 30 20 DBED CCc1nc(C#N)cc(NCC[C@H](C)NC(=O)CNC(N)=O)n1 1106195874 DZULYKAQXZOLSR-VIFPVBQESA-N 319.369 -0.114 30 20 DBED C[C@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)[C@H]1CCCC(=O)N1 1106479036 QKNOQLNSUOIXBJ-GHMZBOCLSA-N 316.365 -0.254 30 20 DBED N#Cc1cnc(NC/C=C/CNC(=O)[C@H]2CCC(=O)N2)cn1 1107115336 IHTODBNQMGNKCZ-FMBMQGQPSA-N 300.322 -0.289 30 20 DBED C[C@@H](C(=O)NCc1cn(C2CN(CC#N)C2)nn1)n1cncn1 1107159734 VEFGOJVORMIFRB-JTQLQIEISA-N 315.341 -0.873 30 20 DBED CN1CCOC[C@H]1C(=O)NC/C=C\CNc1nccnc1C#N 1107162831 VPYBKEWKUIOYJL-ZRMMWKCHSA-N 316.365 -0.237 30 20 DBED COc1ccc(C(=O)NC[C@]2(C)CN(CC#N)CCO2)nn1 1108323974 QBTUJOFLLAOAAJ-CQSZACIVSA-N 305.338 -0.171 30 20 DBED C#CCN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)COCc1nncn1C)C2 1108789658 NUHOOLQNVGFUTD-IHRRRGAJSA-N 317.393 -0.066 30 20 DBED N#Cc1ccc(NC[C@@H](NC(=O)Cn2cnnn2)C2CC2)nc1 1109775266 FEOUTPDEYAPWCR-GFCCVEGCSA-N 312.337 -0.053 30 20 DBED N#Cc1cncc(NC[C@@H](NC(=O)[C@@H]2CCC(=O)N2)C2CC2)n1 1109880452 LCBQDZYABZDVQY-NWDGAFQWSA-N 314.349 -0.066 30 20 DBED Cc1cc(C#N)nc(NC2(CNC(=O)[C@H]3C[C@H]3C(N)=O)CC2)n1 1110347403 VEOZDXGEZWQUFG-MNOVXSKESA-N 314.349 -0.161 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1ccnn1C 1110358540 XIESWEWHQDSICD-UPJWGTAASA-N 315.377 -0.495 30 20 DBED N#Cc1nccnc1N1C[C@H]2C[C@H](NC(=O)CC(N)=O)C[C@H]1C2 1111153562 LKDSOFAWPNIJLI-GARJFASQSA-N 314.349 -0.303 30 20 DBED C[C@@H](N=c1cc[nH]cc1C#N)[C@H]1CCN(C(=O)CNC(N)=O)C1 1111205396 KUBXHKRXUINHOC-MNOVXSKESA-N 316.365 -0.308 30 20 DBED N#Cc1c(F)cccc1N1CCC[C@](CO)(NC(=O)C(N)=O)C1 1111364311 RZCAYMITINUTND-HNNXBMFYSA-N 320.324 -0.370 30 20 DBED CCN(C)CCC(=O)N(CCO)CCN=c1cc[nH]c(C#N)n1 1111506860 FVSFKNIRBNXSIA-UHFFFAOYSA-N 320.397 -0.655 30 20 DBED CC(C)(C(N)=O)C(=O)N(CCO)CCNc1cnc(C#N)cn1 1111519311 CZFVIFSAYPAQMZ-UHFFFAOYSA-N 320.353 -0.907 30 20 DBED Cc1cc(C#N)nc(N[C@H](C)[C@H](C)NC(=O)CNC(N)=O)n1 1112893795 BBNJBZAVLCQLCT-DTWKUNHWSA-N 305.342 -0.370 30 20 DBED C[C@H](CNC(=O)c1cc(=O)n(C)o1)N(C)c1cncc(C#N)n1 1113579908 XQHGJFNOTOPEII-SECBINFHSA-N 316.321 -0.105 30 20 DBED N#CCN1CCN(C(=O)CCNC(=O)c2cnccn2)CC1 1113653151 VOMLENZCSCSDIS-UHFFFAOYSA-N 302.338 -0.736 30 20 DBED C#CCCCC(=O)N[C@H]1[C@@H]2CN(CCN3C(=O)CNC3=O)C[C@@H]21 1114201402 OPPWXQUZAKEZJS-JYAVWHMHSA-N 318.377 -0.612 30 20 DBED CC(C)C#CC(=O)NC1[C@@H]2CN(CC(=O)N3CCOCC3)C[C@@H]12 1114237798 SPGXMRXWBBOXFJ-ZIAGYGMSSA-N 319.405 -0.449 30 20 DBED C=C(C)CCN1C[C@H]2C(NC(=O)CCNS(C)(=O)=O)[C@@H]2C1 1114361992 XMNBGHZNTBOFJO-VXGBXAGGSA-N 315.439 -0.062 30 20 DBED CC[C@@H]1CCO[C@@H]1C(=O)NC1[C@H]2CN(CC(=O)NCC#N)C[C@H]12 1114426939 WLCKSAXFZGQOPS-YXMPFFBPSA-N 320.393 -0.512 30 20 DBED Cc1nnc(COCC(=O)NC2[C@H]3CN(CC#N)C[C@H]23)s1 1114527418 WLCKTYAHRGQPEP-UWVGGRQHSA-N 307.379 -0.067 30 20 DBED CC#CCCCC(=O)N[C@H]1[C@@H]2CN(Cc3nc(=O)n(C)[nH]3)C[C@@H]21 1114711200 QMFZYNRSEAMWKF-JYAVWHMHSA-N 317.393 -0.152 30 20 DBED C[C@@H](CN(C)C(=O)[C@@H]1CN(C)CCO1)Nc1cncc(C#N)n1 1115664168 KBWAUNOEMXEICP-AAEUAGOBSA-N 318.381 -0.062 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)N[C@@H]2CCCOCC2)CCN1C1CC1 1119136166 BCAISQCLFNRSDZ-OCCSQVGLSA-N 320.393 -0.130 30 20 DBED N#Cc1cnc(N[C@@H](CO)CNC(=O)C2CCOCC2)cn1 1120986998 ULOGSFWBPCQBFF-GFCCVEGCSA-N 305.338 -0.336 30 20 DBED CC(=O)N(C)CC(=O)NC[C@@H](CO)Nc1ccc(C#N)c(C)n1 1121086447 UVYREGMFZYTQGO-ZDUSSCGKSA-N 319.365 -0.371 30 20 DBED CC(C)(C)C(=O)C(=O)NC[C@H](CO)Nc1cnc(C#N)cn1 1121228521 JOIYGXDPMYJZLC-SNVBAGLBSA-N 305.338 -0.148 30 20 DBED COc1cc(C(=O)NC[C@H](CO)Nc2cncc(C#N)n2)on1 1121465954 XNUBJEYRFUJWGK-SECBINFHSA-N 318.293 -0.452 30 20 DBED C=CCn1c(N2CCN3CCOC[C@@H]3C2)nnc1C1(O)CC1 1121637235 JDBZBXALXCMZQB-LBPRGKRZSA-N 305.382 -0.034 30 20 DBED COCCOCCC(=O)NC[C@H](CO)Nc1cncc(C#N)n1 1121699133 MAGNOOVBALNMKY-GFCCVEGCSA-N 323.353 -0.710 30 20 DBED CCn1cc(C(=O)NC[C@@H](CO)Nc2cnc(C#N)cn2)nn1 1121928807 PNGVEVHDGIRGGZ-JTQLQIEISA-N 316.325 -0.838 30 20 DBED N#Cc1cnc(N[C@@H](CO)CNC(=O)CCc2ccon2)cn1 1122234612 GRZMMBLQVGQLJK-GFCCVEGCSA-N 316.321 -0.142 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]cc1C#N)C(=O)c1cnnn1C 1124272918 XUKHBDWDPQPSRE-LLVKDONJSA-N 315.337 -0.951 30 20 DBED CN(C[C@@H](O)CN(C)c1ncccc1C#N)C(=O)CC(N)=O 1125024121 LHDHQZFDSLQCLF-LLVKDONJSA-N 305.338 -0.916 30 20 DBED CN(CCOCCNc1nccnc1C#N)C(=O)c1nc[nH]n1 1127363772 CIBLDPAAPLESPU-UHFFFAOYSA-N 316.325 -0.333 30 20 DBED N#Cc1nccnc1N1CC=C(CNC(=O)Cn2cncn2)CC1 1127649719 ZRFKVSGKMVDUPZ-UHFFFAOYSA-N 324.348 -0.107 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)C[C@@H]1CCNC1=O 1129302107 ANNKIOWHWWHLAT-ZDUSSCGKSA-N 322.409 -0.581 30 20 DBED CC#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)CN(C)C(C)C)C1 1129465715 OUFQRVNOERZYAI-CABCVRRESA-N 318.425 -0.017 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@H]1CCn2ccnc2C1 1130481033 IPWUJWXLVHYLII-LBPRGKRZSA-N 305.382 -0.547 30 20 DBED C[C@@H](C#N)C(=O)NCc1nc([C@H]2CC[C@@H](CNCC#N)O2)n[nH]1 1130769294 BMZUUWDTTWIFJJ-GARJFASQSA-N 317.353 -0.086 30 20 DBED C=C(C)CCN1C[C@H]2C[C@@H]3CN(C(=O)CNC(N)=O)C[C@@]3(C1)O2 1131177138 FVZIGNFKOPLCSM-XJKCOSOUSA-N 322.409 -0.077 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1ccc2ccncc2n1 1131432614 DJOBSJIAYHDTSD-UHFFFAOYSA-N 312.333 -0.411 30 20 DBED C#CCNC(=O)CN1C[C@H](NC(=O)c2ccnn2C)CC[C@H]1C 1131861522 MHBFOZHZJQUYMJ-CHWSQXEVSA-N 317.393 -0.248 30 20 DBED C=C[C@@](C)(CCOC)C(=O)NCCNCCS(C)(=O)=O 1131867538 RMKDMYSWMIQSRO-ZDUSSCGKSA-N 306.428 -0.034 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)C2CCN(C)CC2)C1=O 1133288188 RUHNBQSVRRRBNO-AWEZNQCLSA-N 308.426 -0.179 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCCNC[C@H](O)COCCOC 1134053532 YDBNUHNCHKPCNK-MJBXVCDLSA-N 316.398 -0.693 30 20 DBED C#CCNC(=O)CNCCNC(=O)CCN(C)c1ccccc1 1135447279 DLJXJBNXNBLMKO-UHFFFAOYSA-N 316.405 -0.032 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CCN(C(=O)CC)C1 1146912565 SCQLHDJTXRQJSG-CHWSQXEVSA-N 324.425 -0.359 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC2(CCN([C@@H](C)C(=O)NC)C2)C1 1147422535 PWKRCRIQTJGFLO-SWLSCSKDSA-N 309.410 -0.018 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@@](C)(NC(C)=O)C1CC1 1147466370 JZZHRDFUKWAMGS-HNNXBMFYSA-N 310.398 -0.701 30 20 DBED COCC#CCN1CCC2(C1)CN(C(=O)[C@@]1(C)CNC(=O)C1)C2 1147959164 PENOSRPIINATHR-MRXNPFEDSA-N 319.405 -0.303 30 20 DBED C#CCOc1ncccc1C(=O)NCCN[C@H](C)C(=O)N(C)C 1148302456 MSAXENPGOTXSTP-GFCCVEGCSA-N 318.377 -0.110 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN([C@@H]2CCNC2=O)CCCO1 1149674560 YFHVJDOZAARADS-UONOGXRCSA-N 307.394 -0.259 30 20 DBED N#CCN1CCCO[C@H](CNC(=O)C[C@H]2CCCC(=O)N2)C1 1149959635 GLTCJTRPAGXRHI-CHWSQXEVSA-N 308.382 -0.224 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)NCCNCc1cnon1 1152404909 QMGSWFGIWRQPJS-UHFFFAOYSA-N 310.358 -0.461 30 20 DBED CCN(CC#N)[C@H](C)CNC(=O)C[C@@]1(C)CCS(=O)(=O)N1 1156612878 PJUDBGBQMYUVNA-DGCLKSJQSA-N 316.427 -0.192 30 20 DBED CCN(CCC#N)C(=O)CNCCCNC(=O)Cn1nccn1 1158922672 ZILXMMZAOSMSKH-UHFFFAOYSA-N 321.385 -0.864 30 20 DBED N#Cc1ccc(F)c(CNCCCNC(=O)[C@H]2CNC(=O)N2)c1 1165469517 ZTSDAZVGEBFTOG-CYBMUJFWSA-N 319.340 -0.025 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NCCCN[C@H](CC)C(N)=O 1167677898 LAOQEYUFBUMIAQ-OLZOCXBDSA-N 312.414 -0.183 30 20 DBED CN(C)c1ncccc1C(=O)NCCCNCC(=O)NCC#N 1176049152 IXIJDXGASURGJW-UHFFFAOYSA-N 318.381 -0.503 30 20 DBED C=CCCC(=O)N1CC[C@H]2OCCN(CC(=O)NCC#N)[C@H]2C1 1176949796 SZGJLBQPYXETTJ-UONOGXRCSA-N 320.393 -0.106 30 20 DBED C#CCOCCC(=O)N1CC[C@@H]2OCCN(CC(=O)NC)[C@@H]2C1 1177011949 HGWONGIKGIEADB-KGLIPLIRSA-N 323.393 -0.926 30 20 DBED COCC#CCN[C@H]1CCN(C(=O)c2nnn(C)c2C)[C@H]1C 1178405300 HZTHKCICMOWFFT-AAEUAGOBSA-N 305.382 -0.034 30 20 DBED C#CCOCCC(=O)N1CC[C@H](NCc2nnn(C)n2)[C@@H]1C 1178681848 PFIPOLWGOQOBOF-RYUDHWBXSA-N 306.370 -0.671 30 20 DBED C#CCOCCC(=O)N1CC[C@H](N[C@H]2CCCNC2=O)[C@@H]1C 1178682209 YTECLHXIKJZKSH-IHRRRGAJSA-N 307.394 -0.116 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CCCN2CCC)C1 1183040565 SWWWMEUMOAYLRY-HUUCEWRRSA-N 320.437 -0.199 30 20 DBED CC(=O)N[C@H](C)C(=O)N1C[C@H](CNCC#N)C2(CCOCC2)C1 1186236792 OZPBMXZMEYWSOZ-OCCSQVGLSA-N 322.409 -0.121 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)c2ccncc2)C1 1190659386 SAIKESSIFJOSGY-IACUBPJLSA-N 318.377 -0.453 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CN(CC(=O)Nc2nccs2)C[C@H]1O 1191853944 HYTCUTIGNLQVHS-IVZWLZJFSA-N 323.378 -0.597 30 20 DBED C=C(C)CN(CC)C(=O)[C@H](C)N(C)[C@@H]1CCN(C(=O)C(N)=O)C1 1192094330 RQRILFGEIXSXKY-QWHCGFSZSA-N 324.425 -0.183 30 20 DBED C#CCCCCC(=O)N[C@@H]1CN(CC(=O)NCC#C)C[C@H]1O 1192290397 QQAHQCNEZDVNOP-ZIAGYGMSSA-N 305.378 -0.909 30 20 DBED C=C(C)CCC(=O)N[C@@H]1CN([C@@H](C)C(=O)NC(N)=O)C[C@H]1O 1193377619 TXRLHBUREIOTJU-HBNTYKKESA-N 312.370 -0.913 30 20 DBED C=CCO[C@H](C)C(=O)N1CC[C@@H](N(C)Cc2nnn(C)n2)C1 1194397500 WKWWANRTBVBSNW-VXGBXAGGSA-N 308.386 -0.166 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)NC(=O)c2cccs2)C1 1195128408 JLBSXPMGNKSPOP-IJLUTSLNSA-N 321.402 -0.339 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC23CCC3)C1 1196436931 CKNTVSNVBYWCCL-YNEHKIRRSA-N 307.394 -0.360 30 20 DBED CC#CCN1CCCN(C(=O)C(C)(C)NS(C)(=O)=O)CC1 1197380052 XQOQUWVBKXMSKW-UHFFFAOYSA-N 315.439 -0.128 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)Cc2nonc2C)CC1 1197640373 SEQVIDQNAGZNQN-UHFFFAOYSA-N 321.381 -0.243 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)[C@@]23CCCN(CC2)C3)C1 1198185110 FJEZNTYDRYOUBU-INMHGKMJSA-N 321.421 -0.717 30 20 DBED CCNC(=O)NC(=O)CNC1CCN(C(=O)[C@@H](C)C#N)CC1 1199826344 JZHHCAIJRMHWGT-JTQLQIEISA-N 309.370 -0.428 30 20 DBED C=CCNC(=O)CNC[C@@H]1CN(C(=O)c2cocn2)CCCO1 1200093287 UCBCBUFLEGLQKI-GFCCVEGCSA-N 322.365 -0.203 30 20 DBED C#CCCNC[C@H]1CN(C(=O)[C@H](C)N2CCOCC2)CCCO1 1202243504 MBGOHOJEIBZGFH-HOTGVXAUSA-N 323.437 -0.063 30 20 DBED CC(C)(NS(C)(=O)=O)C(=O)N1CCC(NCC#N)CC1 1202826828 LLFQCEMVSDSOTJ-UHFFFAOYSA-N 302.400 -0.582 30 20 DBED C=CCCOCC(=O)N1CCC(NCc2nnnn2C)CC1 1204006965 FWXOYURLBNPLKE-UHFFFAOYSA-N 308.386 -0.117 30 20 DBED C#CCNC(=O)CN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)CC(C)(C)O)C2 1204256278 RORMZFOUBNQAEX-MGPQQGTHSA-N 321.421 -0.134 30 20 DBED COCC#CCNCC1CCN(C(=O)C[C@@H]2CCNC2=O)CC1 1205454585 MVIZCOMUAJYHDU-HNNXBMFYSA-N 321.421 -0.009 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)CSCC#N)[C@H](C)C1 1206095849 ICISKLWNSRLHMQ-JHJVBQTASA-N 322.434 -0.182 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)Cc2cc(C)[nH]n2)[C@H](C)C1 1206824941 DTQCNOJCWVQFPV-BXUZGUMPSA-N 319.409 -0.001 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(Cc2nc(O)n[nH]2)C[C@H]1C 1206915569 DBTTYYLKPSYGRA-RULNRJAQSA-N 309.370 -0.226 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)[C@H]2CCCCO2)C1 1207807363 MAUDIJRIRZQFHR-UONOGXRCSA-N 307.394 -0.115 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCCN(C(=O)c2cn(C)nn2)C1 1207974392 GIWKZWZQCDXQCB-NEPJUHHUSA-N 318.381 -0.853 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)c2n[nH]cc2C)C1 1207993181 ZNDJWXCRAFNAMF-LBPRGKRZSA-N 303.366 -0.338 30 20 DBED N#CCNC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1209112910 YCOOKSCPMWASFZ-CIQGVGRVSA-N 306.366 -0.901 30 20 DBED COCC#CCN1C[C@@H](NC(=O)CN2CC[C@H](C)C2)[C@H](OC)C1 1213440228 KBHUVKKXARGVQP-ARFHVFGLSA-N 323.437 -0.207 30 20 DBED C#CCN1C[C@@H](NC(=O)CNC(=O)CCC(C)C)[C@H](OC)C1 1213580738 HUDOFFFMQMYEFI-ZIAGYGMSSA-N 309.410 -0.013 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)CN(C)C(C)=O)C[C@H]1C 1214183830 OKNONRZNUWYPHT-MBNYWOFBSA-N 322.409 -0.961 30 20 DBED C#CCNC(=O)CC(=O)N1CCO[C@@H]2CN(CCC=C)C[C@@H]21 1217684006 GDBNVDGHRIYNPR-UONOGXRCSA-N 305.378 -0.386 30 20 DBED CCNC(=O)CCCC(=O)N1CCO[C@@H]2CN(CC#N)C[C@@H]21 1218989492 GANXPPMOXGGLDC-QWHCGFSZSA-N 308.382 -0.272 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2cccc(F)c2)C1 1219124936 IMKWBXMKWPIWFJ-KGLIPLIRSA-N 321.352 -0.097 30 20 DBED COc1ccc(CCC(=O)N[C@@H]2CN(CC#N)C[C@@H]2O)cn1 1219991027 AJGSODIWNAUXIE-OLZOCXBDSA-N 304.350 -0.292 30 20 DBED N#CCNC(=O)CN1CC[C@@H]2CN(C(=O)COCC3CC3)[C@@H]2C1 1221312500 KKIGXAPEOPLBQL-ZIAGYGMSSA-N 320.393 -0.415 30 20 DBED CNS(=O)(=O)CCC(=O)N1CC[C@H]2CCN(CC#N)[C@H]2C1 1222679529 IGZVBILPWIZDSZ-NEPJUHHUSA-N 314.411 -0.628 30 20 DBED C#CCNC(=O)CC(=O)NCC1CCN([C@@H](C)C(=O)NC)CC1 1222906812 AQRAYMKWNGKQPY-LBPRGKRZSA-N 322.409 -0.911 30 20 DBED C#CCN1CCC(CNC(=O)CN(C)S(=O)(=O)CC)CC1 1225063622 JNEXYNMDDHPBIF-UHFFFAOYSA-N 315.439 -0.271 30 20 DBED C[C@@H]1CN(C(=O)CN2CCC(NC(=O)[C@H](C)C#N)CC2)CCO1 1226640366 MUMSDQGZLJUMGN-CHWSQXEVSA-N 322.409 -0.026 30 20 DBED C[C@@H]1CC[C@H](C(=O)NC2CCN(CC(=O)NCC#N)CC2)O1 1229262901 ZTQTYIHDQMTNEP-DGCLKSJQSA-N 308.382 -0.226 30 20 DBED C=C[C@](C)(O)CC(=O)NCC[C@@H]1CN(CC)CCS1(=O)=O 1230455007 KKDFRGVDMJQQAX-OCCSQVGLSA-N 318.439 -0.061 30 20 DBED C=CC(C)(C)C(=O)NCC[C@@H]1CN(CCO)CCS1(=O)=O 1230480555 DKASVTJAQGRLKP-GFCCVEGCSA-N 318.439 -0.204 30 20 DBED CO[C@@H](C)CCC(=O)N(C)C[C@@H]1CCN1CC(=O)NCC#N 1233827678 KETCSDRPRBEHLS-STQMWFEESA-N 310.398 -0.026 30 20 DBED C=CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)Cn1nccn1 1234574554 UQQZVYMIVSXCCP-GFCCVEGCSA-N 306.370 -0.887 30 20 DBED COCC#CCN1CC[C@H]1CN(C)C(=O)[C@H]1OCCO[C@H]1C 1235473347 WDUBOBOFKGPCRK-KKUMJFAQSA-N 310.394 -0.027 30 20 DBED COC(=O)[C@H]1CN(C(=O)C(=O)N2CCC[C@](C)(C#N)C2)CCO1 1261321147 VJJVMNFZHQIGCB-IAQYHMDHSA-N 323.349 -0.461 30 20 DBED C#CC[C@H](CO)NC(=O)Cc1ccc(S(=O)(=O)NC)cc1 1261742420 UNRWYBMCVQJMGH-GFCCVEGCSA-N 310.375 -0.362 30 20 DBED C#CCCN1CCC[C@@H](NC(=O)CCCN2C(=O)CNC2=O)C1 1265232562 AOVNDWXACAAUMI-CYBMUJFWSA-N 320.393 -0.078 30 20 DBED C=CCNC(=O)[C@H](C)N1CCC[C@@H](NC(=O)c2[nH]nnc2C)C1 1317940062 BPZHCQGYRFDGCP-NWDGAFQWSA-N 320.397 -0.002 30 20 DBED C=CCn1cnnc1S(=O)(=O)CC(=O)NCCCOC 1319191677 GLGAGULUIMHBOM-UHFFFAOYSA-N 302.356 -0.610 30 20 DBED C#C[C@@H](C)N(C)C(=O)C(=O)Nc1ccc(=O)n(CCOC)c1 1320857861 ATSWFKNQDCLCCS-LLVKDONJSA-N 305.334 -0.087 30 20 DBED Cc1c(CNC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)cnn1C 1326410189 NWHKQPYQWGIVKF-AWEZNQCLSA-N 305.338 -0.778 30 20 DBED C#CCOCCNC(=O)C(=O)N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1326802016 UVJIHAUTTXQXRL-MNOVXSKESA-N 318.395 -0.968 30 20 DBED CC(C)[C@H](CNC(=O)C(=O)Nc1cnn(CC#N)c1)C(=O)O 1326845645 JTFHLFGCZKOGOJ-JTQLQIEISA-N 307.310 -0.182 30 20 DBED C=CCOCCNC(=O)C(=O)N1CCC[C@H](S(C)(=O)=O)C1 1328698190 ZIKZWQQIARKPKX-NSHDSACASA-N 318.395 -0.659 30 20 DBED C#CCOCCNC(=O)C(=O)NCc1c(C2CC2)cnn1C 1328958931 IBOUCQYPXRLSKF-UHFFFAOYSA-N 304.350 -0.320 30 20 DBED C=CCn1cc(Cn2nnnc2N2CCC[C@@](C)(O)C2)nn1 1334581904 WIJJNPHHPPTGSI-CYBMUJFWSA-N 304.358 -0.150 30 20 DBED C#CCN(C)c1nnnn1CCCn1nc2n(c1=O)CCCC2 1335657768 DEJXADKSGJQWIR-UHFFFAOYSA-N 316.369 -0.473 30 20 DBED C#CCNCC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 1340531909 WPXGKDADJJHYFP-UHFFFAOYSA-N 313.365 -0.765 30 20 DBED C#CCNCC(=O)NCc1ccc(N2CCN(C)CC2)nc1 1341735043 ZSDPEVCKCYZPCA-UHFFFAOYSA-N 301.394 -0.328 30 20 DBED CC1(C)NC(=O)N(CCCNC(=O)[C@H](N)CCCC#N)C1=O 1346097702 JSTCEXQIHFHZQI-SNVBAGLBSA-N 309.370 -0.156 30 20 DBED CN1CCCC[C@H]1C(=O)NCCn1cc(C#N)c(O)nc1=O 1363287974 PLVREGKKMJQULY-NSHDSACASA-N 305.338 -0.579 30 20 DBED N#CCCN1CCN(C(=O)NCc2nnc3n2CCOC3)CC1 1369710148 SCDDHUUKQIDAKY-UHFFFAOYSA-N 319.369 -0.451 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CN(C)C(=O)CCN1CCCCC1 1383004055 SCTYTBYBEIFUBI-UONOGXRCSA-N 324.425 -0.042 30 20 DBED CO[C@@H](C)C(=O)NCc1cc(O)nc(CNC(=O)[C@H](C)C#N)n1 1384645409 TUNLOYVUDAHBHW-BDAKNGLRSA-N 321.337 -0.391 30 20 DBED CCN(CCNC(=O)c1cc(C#N)c[nH]1)C(=O)CNC(=O)NC 1388229333 DXADRIYOCMBLDL-UHFFFAOYSA-N 320.353 -0.606 30 20 DBED CCN(CCNC(=O)CCn1cnccc1=O)C(=O)[C@H](C)C#N 1388419208 WBCKEKJYUDALLV-GFCCVEGCSA-N 319.365 -0.242 30 20 DBED CCN(CCC#N)C(=O)CNC[C@@H](C)NC(=O)c1ncn(C)n1 1406350186 IMYVTBLBHRFYFX-LLVKDONJSA-N 321.385 -0.715 30 20 DBED CC[C@H](CNC(=O)c1cn(C)c(=O)nc1O)NC(=O)[C@@H](C)C#N 1409312415 REBOOCCLNPEMGB-DTWKUNHWSA-N 321.337 -0.730 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCN(C)C(=O)CCCS(C)(=O)=O 1410008205 PJOHEQNVFWCMED-NSHDSACASA-N 317.411 -0.112 30 20 DBED C[C@@H](C(=O)NCC1(OCCO)CCOCC1)n1cnc(C#N)n1 1412045815 XGBGFVLRAYWAMV-NSHDSACASA-N 323.353 -0.615 30 20 DBED CCN1CCO[C@H](C(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H](C)C#N)C2)C1 1429110617 CIBQUWJFALKWBI-FQUUOJAGSA-N 322.409 -0.122 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)CN(C)C(=O)C2CC2)C1 1430147907 XDAGNRXDPKQHOD-YUSALJHKSA-N 306.366 -0.222 30 20 DBED C=C(Cl)CN(C)CCNC(=O)C[C@H](NC(C)=O)C(N)=O 1442536761 QZQGNAQZGUGWTQ-JTQLQIEISA-N 304.778 -0.833 30 20 DBED CCN(CCC#N)C(=O)CN1CC(NC(=O)[C@@H](C)COC)C1 1443459390 JFFZJHFMZOQAIL-LBPRGKRZSA-N 310.398 -0.169 30 20 DBED C[C@H](C#N)C(=O)N1CC(CNC(=O)Cn2cc(C3CC3)nn2)C1 1450633658 KQVDOCANCSNHBG-SNVBAGLBSA-N 316.365 -0.110 30 20 DBED N#Cc1cn(CCNC(=O)CCn2ccnc2)c(=O)nc1O 1470360956 MTMVEPUQSJMFSN-UHFFFAOYSA-N 302.294 -0.776 30 20 DBED C=C(Cl)CN1CC[C@@](O)(CNC(=O)CCn2cnnn2)C1 1484242963 OELKKGGLVPHOSI-GFCCVEGCSA-N 314.777 -0.631 30 20 DBED C=CCNC(=O)CN1CCC[C@@H](NC(=O)CNC(=O)C2CC2)C1 1490427884 JGKFIUOLJGYMPN-CYBMUJFWSA-N 322.409 -0.605 30 20 DBED CCCNC(=O)NC(=O)CNC[C@@H](C)CNC(=O)[C@@H](C)C#N 1495633423 OUDXHOOOJBYZKD-MNOVXSKESA-N 311.386 -0.276 30 20 DBED CC(=O)NCC(=O)NC[C@H](O)CNCc1ccc(C#N)s1 1496931557 GRWHDQMUHNEDGH-SNVBAGLBSA-N 310.379 -0.677 30 20 DBED CNC(=O)NC(=O)CNC[C@@H](C)NC(=O)c1cc(C#N)c[nH]1 1497802103 KNWACBAWGQSPKJ-MRVPVSSYSA-N 306.326 -0.950 30 20 DBED N#Cc1c[nH]c(C(=O)NCC2(NC(=O)[C@@H]3COC(=O)N3)CC2)c1 1506000819 KWSKYWBHWBVDFK-JTQLQIEISA-N 317.305 -0.627 30 20 DBED C[C@H](C#N)C(=O)NC1CCN(C(=O)c2ccc(=O)n(C)n2)CC1 1523251785 FQAFDYWNTZFRFD-SNVBAGLBSA-N 317.349 -0.339 30 20 DBED C=CCNC(=O)CN1CCC(N(C)C(=O)[C@@H]2C[C@@H]2C(=O)O)CC1 1573369028 VNVTZKOAKYTWSM-OLZOCXBDSA-N 323.393 -0.068 30 20 DBED N#C[C@]12CN(C(=O)Cc3ccc(N)cn3)C[C@H]1CS(=O)(=O)C2 1580057460 VZNARHOVEJGMRG-IINYFYTJSA-N 320.374 -0.397 30 20 DBED C=CCN1CC(=O)N([C@H]2CCCCN(CC(=O)O)C2=O)C1=O 1588464478 SNQVPRNIKPXIAM-JTQLQIEISA-N 309.322 -0.098 30 20 DBED C=CC[C@H](CO)NS(=O)(=O)c1cccnc1-c1nn[nH]n1 1588546167 ZHYMRIAVLQGSCJ-MRVPVSSYSA-N 310.339 -0.523 30 20 DBED C=CCC[C@@H](CO)NC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O 1588778009 PETJYICCQNIAMF-GUBZILKMSA-N 301.343 -0.410 30 20 DBED C=CCOC[C@H](NS(=O)(=O)N(C)[C@@H](C)CC#N)C(=O)O 1588866357 MQFOTNAPHAOMII-UWVGGRQHSA-N 305.356 -0.289 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](C)CN=c1cc[nH]c(-c2nn[nH]n2)n1 1588930644 CGQMRQRVQZEBDT-JGVFFNPUSA-N 301.314 -0.845 30 20 DBED C[C@@H](C(=O)N[C@@]1(C#N)CC1(C)C)n1cnc(-c2nn[nH]n2)n1 1588970670 MDPUKBFBAMCGEY-JVXZTZIISA-N 301.314 -0.172 30 20 DBED C[C@]1(C#N)CN(Cn2cccc(-c3nn[nH]n3)c2=O)CCO1 1590056990 VRSQTXFKIISSRM-ZDUSSCGKSA-N 301.310 -0.400 30 20 DBED CO[C@H](CS(=O)(=O)N(CC#N)CC(=O)O)[C@@H]1CCOC1 1599058808 LWKBEKMLYRNPGJ-NXEZZACHSA-N 306.340 -0.722 30 20 DBED C#CC[C@H](NC(=O)c1cccc(-n2[nH]nnc2=N)c1)C(=O)O 1602693059 FGZIRXMGPDIVQC-JTQLQIEISA-N 300.278 -0.719 30 20 DBED CC(C)(CCC#N)CNC(=O)Cn1cnc(-c2nn[nH]n2)n1 1603139691 WSLWEBPEMLLFJK-UHFFFAOYSA-N 303.330 -0.096 30 20 DBED C[C@H]1CN(C(=O)Cn2cc(C#N)c(O)nc2=O)CC[C@H]1C(=O)O 1603443678 YTKGJCPTIFSNGY-WCBMZHEXSA-N 320.305 -0.610 30 20 DBED COC[C@]1(C(=O)O)CCCN1S(=O)(=O)N(C)C[C@H](C)C#N 1606834024 GLLNGWSRKZOSOM-PWSUYJOCSA-N 319.383 -0.112 30 20 DBED C#CCNC(=O)CNC[C@@H](C)CNC(=O)[C@@H]1CCCCN1C 1714423049 SZWOQFVBKYZMMG-KGLIPLIRSA-N 308.426 -0.438 30 20 DBED C=CCCN1CCC[C@H](CNC(=O)CNS(=O)(=O)NC)C1 1752785307 UEJHNYXPXFYNGF-GFCCVEGCSA-N 318.443 -0.556 30 20 DBED C=CCn1cc(C(=O)NCCN(CC(=O)N(C)C)C2CC2)nn1 1753161514 SSFYAJVDIXSMPY-UHFFFAOYSA-N 320.397 -0.254 30 20 DBED C=CCN1CC[C@@H](NCCN(C)C(=O)CCc2cnn[nH]2)C1=O 1753239661 DNJOHLBNWUENLI-CYBMUJFWSA-N 320.397 -0.428 30 20 DBED COCC#CCN1CCO[C@H](CNC(=O)C[C@@H]2CCOC2)C1 1753659310 SFNHDVNSQPZICS-LSDHHAIUSA-N 310.394 -0.120 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@@H](C)N(C)C(=O)c1cnnn1C 1753690858 XUWJTPHLKOCYIQ-GHMZBOCLSA-N 306.370 -0.997 30 20 DBED C=CCCNC[C@H](O)CNC(=O)C[C@H]1CCCS(=O)(=O)C1 1753934322 VFQFSTLQFSWKLK-OLZOCXBDSA-N 318.439 -0.156 30 20 DBED N#Cc1c[nH]c(C(=O)NC/C=C\CN[C@H]2CCC(=O)NC2=O)c1 1754109276 PSYVBXLBTXAQSH-BVBSBALXSA-N 315.333 -0.433 30 20 DBED C=CCNC(=O)[C@H](C)NC/C=C\CNC(=O)[C@@H]1CCC(=O)NC1 1754140023 KKGAEAHJFLEYKV-OEFFGFFESA-N 322.409 -0.535 30 20 DBED C#CCNC(=O)CNC[C@H](C)NC(=O)[C@H]1CCc2cncn2C1 1754273185 HFQRLFIERZHHFR-STQMWFEESA-N 317.393 -0.711 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@@H]1CNC(=O)c1cn(CC)nn1 1754498096 UFNZNWQLSZAMPT-NWDGAFQWSA-N 318.381 -0.760 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC(N(C)C(=O)c2ccn(CC)n2)C1 1754582989 JMCSMONEMVHLKV-GFCCVEGCSA-N 317.393 -0.203 30 20 DBED C#CCNC[C@H](NC(=O)c1cn(C)c(=O)nc1O)C1CCCC1 1754656498 OYDLLARIFYCABQ-ZDUSSCGKSA-N 318.377 -0.003 30 20 DBED C=CCOCCN1[C@H]2CC[C@H]1CN(C(=O)Cn1ncnn1)CC2 1754658773 PDZMRWOYJGEQOU-KBPBESRZSA-N 320.397 -0.059 30 20 DBED COCC#CCN1CC[C@](O)(CNC(=O)c2csnn2)C1 1754756830 WUSBKLCWXFUXBU-ZDUSSCGKSA-N 310.379 -0.646 30 20 DBED C#CCNC(=O)CN1CC(O)(CNC(=O)c2sccc2C)C1 1754763741 BZBBJFILJPIUGT-UHFFFAOYSA-N 321.402 -0.418 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)c2coc(C)n2)CCO1 1754999713 KUOGZPNTSPTVHH-GFCCVEGCSA-N 320.349 -0.837 30 20 DBED C#CCNC(=O)CN[C@H]1CN(C(=O)Cc2cccnc2)C[C@H]1C 1755107863 VKPLBDYTVVGCRB-HIFRSBDPSA-N 314.389 -0.190 30 20 DBED C#CCCN[C@H](C)[C@@H](C)NC(=O)c1nc(C)n(-c2nc[nH]n2)n1 1755245684 GFYFFTRUQMHAAN-NXEZZACHSA-N 316.369 -0.186 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H](CCNC(=O)c1nc[nH]n1)C(C)C 1755552505 OGQYZMXGGBJNFX-VXGBXAGGSA-N 320.397 -0.323 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H](CNCCN1C(=O)CNC1=O)C1CC1 1755555124 HIZNNNQMPJXTMW-CMPLNLGQSA-N 321.381 -0.476 30 20 DBED CC(=O)N(CC(=O)N(C)C[C@@H](O)CNCC#N)c1ccccc1 1755796643 SOUDUZFPBUHFDZ-HNNXBMFYSA-N 318.377 -0.028 30 20 DBED C#CCN(C)C[C@H](O)CN(C)C(=O)[C@@H]1CCc2cnn(C)c2C1 1755803928 FEJCALQSVJUKSQ-HIFRSBDPSA-N 318.421 -0.091 30 20 DBED C=CCOCC(=O)NC1(CCO)CN(C(=O)c2cccn2C)C1 1756078294 PDFWOHWRXWPTBB-UHFFFAOYSA-N 321.377 -0.079 30 20 DBED C=CCCO[C@@H](C)C(=O)NC[C@H]1[C@@H]2CN(C(=O)CC(N)=O)C[C@H]12 1756191959 GJRKKPRMZBVWQL-ZDEQEGDKSA-N 323.393 -0.336 30 20 DBED C=CCCCC(=O)NC[C@@H](CO)NC(=O)C1CN(C(C)=O)C1 1756545301 BOJFGXOCNXGWHV-ZDUSSCGKSA-N 311.382 -0.586 30 20 DBED C=CCCCC(=O)NC[C@H](CO)NC(=O)[C@H]1CCC(=O)N1C 1756546899 XRLOWGSLTLFUJO-VXGBXAGGSA-N 311.382 -0.443 30 20 DBED C#CCCCCC(=O)N1CC[C@H](NC(=O)CC(N)=O)[C@@H](O)C1 1757562348 GOLATJHEKSAQIX-RYUDHWBXSA-N 309.366 -0.867 30 20 DBED C[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21 1791046351 PTYUNVHDWLVRIY-UNQGMJICSA-N 320.389 -0.240 30 20 DBED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN 1795524754 AXDRLUFBGUZDPF-NRWUCQMLSA-N 311.382 -0.874 30 20 DBED CC(=O)N(C)CCC(=O)N1CC2(CCCN2C(=O)CC#N)C1 1842620516 GDPNFAJXPWXFCM-UHFFFAOYSA-N 306.366 -0.028 30 20 DBED C[C@H](C(=O)NC(N)=O)N1CCN(c2cc(C#N)ccn2)CC1 29445146 XXZKGSIFZZPPNW-SNVBAGLBSA-N 302.338 -0.341 30 20 DBED CN(CCC#N)S(=O)(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 49336307 YDYNDRMAPMPCOR-JTQLQIEISA-N 324.428 -0.910 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)CCn2cccn2)CC1 264811396 BTIXZXNDRUDNND-UHFFFAOYSA-N 317.393 -0.443 30 20 DBED C#CCNC(=O)c1ccc(N2CCO[C@H](CNC(C)=O)C2)nc1 265500617 XRBFLWSQNXSQHL-CQSZACIVSA-N 316.361 -0.214 30 20 DBED COC(=O)[C@@H](NS(=O)(=O)c1ccc(F)c(C#N)c1)[C@H](C)O 274317443 CEZDJBGSKVVPAC-CPCISQLKSA-N 316.310 -0.102 30 20 DBED COC(=O)[C@H]1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)C[C@@H]1C 276924965 PBCXKTOEXQLOQX-UWVGGRQHSA-N 320.349 -0.409 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@](C)(OC)C2)C1=O 279533994 RVKXZKOHAKUGCS-OAHLLOKOSA-N 323.349 -0.009 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N[C@@H](C)C(=O)N1CCCC1 282495943 FYUFDHLNXRSCHD-NSHDSACASA-N 317.411 -0.103 30 20 DBED C[C@]1(C(N)=O)CCN(CC#CCN2CC[C@@](C)(C(N)=O)C2)C1 284908499 VEXCMCUMWNGGNL-IYBDPMFKSA-N 306.410 -0.616 30 20 DBED N#Cc1ncn(CCNC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)n1 285025026 IFSOTOFRDIFWLS-XPXLGCRWSA-N 301.306 -0.211 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC[C@H]2CCCCO2)C1=O 285481169 MGZRXIUNPBPIAE-CHWSQXEVSA-N 323.393 -0.083 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@@H](C)CCOC)C1=O 286171546 BTXBVYPBKAAQED-NWDGAFQWSA-N 311.382 -0.227 30 20 DBED CN1CCN(CCNS(=O)(=O)c2cncc(C#N)c2)CC1 289615011 YQABJQSQHLYIOD-UHFFFAOYSA-N 309.395 -0.521 30 20 DBED CC1CCC2(CC1)NC(=O)N(NC(=O)CN(C)CC#N)C2=O 299643570 KUDNGZLWZPAZBL-UHFFFAOYSA-N 307.354 -0.026 30 20 DBED Cn1nncc1C/N=C(/O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 329322542 UUVZSCOTXLHRER-LBPRGKRZSA-N 322.369 -0.448 30 20 DBED O=S(=O)(C1CC1)N1CCC[C@@H](/N=C(/O)N2CC(CO)C2)C1 329330276 YXKOSNYOYNHEGU-LLVKDONJSA-N 317.411 -0.219 30 20 DBED C[C@H](O)CC/N=C(/O)NC1CCN(CC(=O)N(C)C)CC1 330778283 BJIAMPHQDNQLOL-NSHDSACASA-N 300.403 -0.187 30 20 DBED CC(C)(C)C[C@H](CO)NS(=O)(=O)N1CCO[C@H](C#N)C1 336880288 BZIZKXHLUZPBBL-GHMZBOCLSA-N 305.400 -0.158 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)NC[C@@H]1CCCCS1(=O)=O 336934728 DWDHUUDYXHYJNV-QWRGUYRKSA-N 323.440 -0.120 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@@H]1C(=O)NCC[C@@H]1C 337213148 WCNHEIAUBHBNOT-QWRGUYRKSA-N 318.399 -0.793 30 20 DBED N#Cc1cccc(CNC(=O)CN2CCN(CCO)CC2)c1 349117708 LBKCDQYKJJNYIY-UHFFFAOYSA-N 302.378 -0.216 30 20 DBED CC(=O)N1CCN(CC#CCN2CCN(C(C)=O)CC2)CC1 351617039 VYDAANAVCBZTJQ-UHFFFAOYSA-N 306.410 -0.682 30 20 DBED CC(C)n1cnnc1CNc1c(C#N)c(=O)n(C)c(=O)n1C 357890131 HGRPDGIVJVYPTD-UHFFFAOYSA-N 303.326 -0.260 30 20 DBED C#CCOCCC(=O)N1CC[C@H](n2cc(C(=O)OC)nn2)C1 371888115 MJOXDAHIISWRLA-NSHDSACASA-N 306.322 -0.122 30 20 DBED CCN(C(=O)CNc1ccc(C#N)cn1)[C@H]1CC(=O)NC1=O 448840709 MWPOPZDKSACCRR-JTQLQIEISA-N 301.306 -0.371 30 20 DBED C#CCNC(=O)C1CCN(S(=O)(=O)N(C)CCOC)CC1 491765392 CWCMTYPDBNRTHD-UHFFFAOYSA-N 317.411 -0.729 30 20 DBED C=CCNC(=O)CNS(=O)(=O)c1cncc(C(=O)OC)c1 578955000 XBPJIESUQRRQCJ-UHFFFAOYSA-N 313.335 -0.551 30 20 DBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H](C#N)CO 597740952 JJDLKTBBNVMRLF-KOLCDFICSA-N 322.346 -0.774 30 20 DBED CN1CC[C@H](N2CCC(N=c3cc[nH]c(C#N)n3)CC2)C1=O 601176121 GGWCMTJUWOFEBX-LBPRGKRZSA-N 300.366 -0.123 30 20 DBED COCCN1CC[C@H](NC(=O)N2CCN(CCC#N)CC2)C1 601573426 BIDWDXXTWLTPPN-AWEZNQCLSA-N 309.414 -0.052 30 20 DBED C=CCNC(=O)CNC(=O)[C@@]1(c2ccccc2)CNC(=O)C1 613293112 ONRQFZNOGSJGDJ-MRXNPFEDSA-N 301.346 -0.137 30 20 DBED C=C[C@](C)(O)C(=O)NCCOCCN(C)C(=O)[C@](C)(O)C=C 619326298 OYOORRQFOHOGTH-LSDHHAIUSA-N 314.382 -0.548 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCC2(N)CCCC2)C1=O 659732393 JVNQIAKIDKLSEX-GFCCVEGCSA-N 322.409 -0.381 30 20 DBED Cn1c(N)c(C=NN=c2cc[nH]cc2Cl)c(=O)n(C)c1=O 756842002 HPZOEPCWFWNGAU-UHFFFAOYSA-N 308.729 -0.418 30 20 DBED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)Cn2cnnn2)[C@H](C#N)C1 756921890 YHJRALSRLOVRDZ-NXEZZACHSA-N 321.341 -0.452 30 20 DBED C#CCOCCNC(=O)C(=O)Nc1ccccc1-n1ccnn1 785164931 OIRLXZFAHXFIGN-UHFFFAOYSA-N 313.317 -0.028 30 20 DBED COCC#CCOC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 785657783 NOFQOTHQQHONKV-AWEZNQCLSA-N 324.377 -0.640 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NOC[C@@H]2CCOC2)C1=O 788275309 URZZGNNGQDEQLC-SECBINFHSA-N 311.294 -0.953 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)CCNC(=O)NC 795619554 WCIMRIQZFGCHLF-MRVPVSSYSA-N 300.315 -0.751 30 20 DBED COCCNC(=O)[C@@H](C#N)C(=O)[C@@H]1CCc2cnn(C)c2C1 798816024 HATLVOHUBYUPQI-PWSUYJOCSA-N 304.350 -0.004 30 20 DBED N#CCSCCCOC(=O)Cn1cc(S(N)(=O)=O)cn1 805430963 MVIJKPRDPAUJNY-UHFFFAOYSA-N 318.380 -0.279 30 20 DBED C#C[C@H](NC(=O)C(=O)NCc1cc(C)ncn1)[C@H]1CCCO1 806200655 JKCDSVCUERBWOX-QWHCGFSZSA-N 302.334 -0.302 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@@H]1CCC[C@H]1CCO)[C@@H]1CCCO1 809306061 MUFFJFDOWPNSLX-FQUUOJAGSA-N 308.378 -0.049 30 20 DBED N#Cc1cncc(S(=O)(=O)NC(=O)c2c[nH]c(C(N)=O)c2)c1 813980090 PVNGTVAAYVMJMS-UHFFFAOYSA-N 319.302 -0.501 30 20 DBED O=C(Cn1cnc2sccc2c1=O)N[C@H]1CCCN(O)C1=O 820476006 FMEGXOAQZZXVOQ-VIFPVBQESA-N 322.346 -0.046 30 20 DBED O=C(N[C@@H]1CCCN(O)C1=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 820482364 IDRYJBWBKWGVCC-JGVFFNPUSA-N 323.271 -0.106 30 20 DBED C#CCN1CCN(C(=O)c2nc(S(C)(=O)=O)ncc2C)CC1 827518548 AAEGRMWBDRWHAQ-UHFFFAOYSA-N 322.390 -0.420 30 20 DBED C=C(C)CONC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 846537359 INIGKPGAJAWJQR-MNOVXSKESA-N 316.379 -0.354 30 20 DBED CN(C)c1nc(N)nc(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)n1 846635301 RJKVRJSGFBTELV-SNVBAGLBSA-N 316.369 -0.668 30 20 DBED NS(=O)(=O)c1ccsc1C(=O)N[C@@H]1CCCN(O)C1=O 854649319 VPAWOGXYOHABFC-ZCFIWIBFSA-N 319.364 -0.495 30 20 DBED C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1C[C@H](O)[C@@H](O)C1 861985044 AUHKHJGDLKFMEM-USWWRNFRSA-N 319.317 -0.520 30 20 DBED COC(=O)[C@H]1CSCCN1S(=O)(=O)N(C)C[C@H](C)C#N 885826428 ITHRCLYFKCWTLO-NXEZZACHSA-N 321.424 -0.087 30 20 DBED C#CCN1CCC[C@@H](NC(=O)N2CCO[C@H](CNC(C)=O)C2)C1 890370667 DZIMSJSFCWBXDQ-HUUCEWRRSA-N 322.409 -0.370 30 20 DBED C#CCNC(=O)[C@H](C)Nc1ccn(CCN2CCNC2=O)n1 905857878 IVNWFZVMRQIARJ-NSHDSACASA-N 304.354 -0.542 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](N(C)C(=O)CN2CCCC2=O)C1 939392178 LDRURFFORJJAQA-RYUDHWBXSA-N 306.366 -0.172 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCN(C(=O)C(N)=O)CC1 941220586 VKKWBJVFGIOVKH-NEPJUHHUSA-N 309.366 -0.486 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C2CN(CC(=O)N(C)C)C2)CC1 941348620 QJRGXFRFXJTIMT-LBPRGKRZSA-N 307.398 -0.937 30 20 DBED C[C@H](C#N)C(=O)N1CCCN(C(=O)[C@H]2CCN(C)C2=O)CC1 941983239 GJRIGKDHTCTMMM-NEPJUHHUSA-N 306.366 -0.315 30 20 DBED CO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1NC(=O)c1[nH]cnc1C 942770993 DVWYCHPRKMWGFD-JMJZKYOTSA-N 305.338 -0.167 30 20 DBED O=C(N[C@@H]1[C@H]2C[C@H]1N(C(=O)C#CC1CC1)C2)c1c[nH]c(=O)cn1 947889056 WUUIHOTZLPATAQ-JVLSTEMRSA-N 312.329 -0.488 30 20 DBED CN(C(=O)Cn1cncn1)C1CN(C(=O)c2cc(C#N)c[nH]2)C1 955376877 CDMDRYLAVYBVAG-UHFFFAOYSA-N 313.321 -0.539 30 20 DBED COCCn1cc(C(=O)NC[C@H]2CN(CC#N)C[C@@H]2O)c(C)n1 958064708 VXGIEAHPEJLMHX-JSGCOSHPSA-N 321.381 -0.616 30 20 DBED C#CCCN1C[C@H](O)[C@H](CNC(=O)c2cn(CC3CC3)nn2)C1 958527252 XOARDUGGKHJYMR-HIFRSBDPSA-N 317.393 -0.266 30 20 DBED C=CCN1C[C@H](CNC(=O)c2ccc(C(N)=O)cc2)[C@@H](O)C1 958661179 FEZAJWIFDDJCGZ-KBPBESRZSA-N 303.362 -0.006 30 20 DBED Cc1n[nH]cc1C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H](C)C#N 960878654 OCLBAECBTSXTDE-JIMOISOXSA-N 317.349 -0.070 30 20 DBED O=C(C#CC1CC1)N1C[C@H]2CN(C(=O)Cn3ncnn3)C[C@H]2C1 961541724 VEIHNTLNGGDVPD-BETUJISGSA-N 314.349 -0.997 30 20 DBED Cc1ccc(CC(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)o1 962354230 HZJUWYXJIPPGEM-WQAKAFBOSA-N 305.334 -0.022 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CCCN(C(=O)Cn3cncn3)[C@@H]2C1 963848914 FSOFVCNHFHLKJT-RWMBFGLXSA-N 316.365 -0.113 30 20 DBED Cn1ccc(C(=O)NC[C@@H]2COCCN2C(=O)C#CC2CC2)n1 964187323 AQZMIRPOVGCYSR-CYBMUJFWSA-N 316.361 -0.209 30 20 DBED C[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1NC(=O)Cn1ncnn1 966407426 HVEZQVJDUYLPTC-JQWIXIFHSA-N 302.338 -0.950 30 20 DBED C#CCCN1CC[C@H](C)[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1 968418976 PRJSBMARIBMAOW-WCQYABFASA-N 305.378 -0.111 30 20 DBED C[C@@H](NC(=O)c1ccc(C#N)[nH]1)C1CN(Cc2nnnn2C)C1 969513751 GYRPTMADIARECX-SECBINFHSA-N 314.353 -0.340 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)c1c[nH]c(=O)cn1 969767017 DMUDBNUNYDZVHS-MXWKQRLJSA-N 315.333 -0.255 30 20 DBED C=CCN1CC([C@H](C)NC(=O)c2c[nH]nc2S(N)(=O)=O)C1 970403252 AZHDVDIVBLNOSI-QMMMGPOBSA-N 313.383 -0.707 30 20 DBED C#Cc1ccc(C(=O)N[C@@H](C)C2CN([C@@H](C)C(N)=O)C2)cn1 970753915 NOIGLBVLITWNQF-QWRGUYRKSA-N 300.362 -0.013 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)c3nnn(C)c3C)C2)C1 972309759 FKWLKABCKUKYLK-OAHLLOKOSA-N 303.366 -0.326 30 20 DBED CN1CCOC[C@@H]1C(=O)N1CC[C@]2(CN(CC#N)CCO2)C1 972348404 MNBHDKSZRVGLGP-HIFRSBDPSA-N 308.382 -0.856 30 20 DBED C#CCN(C)[C@@H]1CCN(C(=O)[C@@H]2CCc3nnnn3CC2)C1 972384370 IKZIVNQTCYFYJL-CHWSQXEVSA-N 302.382 -0.209 30 20 DBED C#CCCN1CCO[C@]2(CCN(C(=O)[C@]3(C)CNC(=O)C3)C2)C1 972479871 DLTGDYVUKZXHIV-DLBZAZTESA-N 319.405 -0.161 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)c3cnnn3C)C2)nc1 974084357 PALVMOJZKATZBN-TXEJJXNPSA-N 324.344 -0.118 30 20 DBED CN1C(=O)CC[C@H]1C(=O)N[C@H]1[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]21 976990412 NMOKZIXGNZRHEG-RSUWNVLCSA-N 315.373 -0.406 30 20 DBED C#CCN1C[C@H](NC(=O)[C@@H]2CCN(C)S2(=O)=O)C(C)(C)C1 977315738 KFFGTAHJNAJTMD-RYUDHWBXSA-N 313.423 -0.520 30 20 DBED CN(C[C@H]1CCN1C(=O)C#CC1CC1)C(=O)[C@@H]1CCCNC1=O 977868107 ZAYOAROTSOIKPP-ZIAGYGMSSA-N 317.389 -0.015 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)[C@]2(C)CCCS2(=O)=O)C1 995347850 AEWZVQPJWRBQEO-ZANVPECISA-N 313.379 -0.560 30 20 DBED C=CCn1cc(C(=O)N2C[C@H](N[C@H](C)C(N)=O)C(C)(C)C2)nn1 996388953 LOLPSZOJNYVKIJ-PWSUYJOCSA-N 320.397 -0.222 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2cc(=O)n3[nH]cnc3n2)CC1(C)C 996522140 YDHVXWYDYGKVDH-LLVKDONJSA-N 314.349 -0.509 30 20 DBED CCn1cc(C(=O)NC2CN(C(=O)c3cc(C#N)c[nH]3)C2)nn1 998784155 OZWZRHZUDIQWSH-UHFFFAOYSA-N 313.321 -0.248 30 20 DBED C#CCN1CC[C@@H](n2cc(CNC(=O)c3ccnn3C)nn2)C1 999969318 APWYHHWNERSFAZ-CYBMUJFWSA-N 313.365 -0.178 30 20 DBED C[C@H]1CN(C(=O)[C@@H](C)C#N)CC2(CCN(C(=O)C(N)=O)CC2)O1 1006773047 CFLHLLDJZHVVCW-QWRGUYRKSA-N 322.365 -0.760 30 20 DBED C[C@H]1C[C@H](NC(=O)c2cnnn2C)CN1C(=O)C#CC1CC1 1012582978 VQJCWWIGLPVEGE-JQWIXIFHSA-N 301.350 -0.052 30 20 DBED N#Cc1cc(C(=O)NC2[C@@H]3CN(C(=O)c4cnon4)C[C@@H]23)c[nH]1 1012982317 KQLTWHSGUAEPDY-NXEZZACHSA-N 312.289 -0.230 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H]2C(NC(=O)Cn3ncnn3)[C@@H]2C1 1013151913 CNYGSKDBGDHYLZ-NXEZZACHSA-N 304.354 -0.542 30 20 DBED O=C(NC1[C@H]2CN(C(=O)C#CC3CC3)C[C@H]12)[C@@H]1[C@H]2COC[C@H]21 1013607912 ZXWDEVJDTYCVMK-XOBFJNJYSA-N 300.358 -0.135 30 20 DBED C#CCN1CCC2(CC1)C[C@@H]2NC(=O)C[C@@H]1NC(=O)NC1=O 1016662698 BJMVVDIFYYPPMQ-QWRGUYRKSA-N 304.350 -0.812 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)c2cn(C)c(=O)cn2)[C@@H]1C 1020535877 SZXMEAQDLATPJB-DCAQKATOSA-N 317.349 -0.341 30 20 DBED C=CCn1cc(C(=O)N[C@H]2C[C@@H](N[C@H](CC)C(N)=O)C2)nn1 1022824410 AIILARDSPIRYLX-OUAUKWLOSA-N 306.370 -0.422 30 20 DBED N#CCN1CCC[C@H](CNC(=O)[C@H]2CCc3nnc(O)n3C2)C1 1023448667 VDAKAYVYOFVMCF-NEPJUHHUSA-N 318.381 -0.102 30 20 DBED N#CCN1CCC[C@H](CNC(=O)[C@@H]2CCc3nnc(O)n3C2)C1 1023448670 VDAKAYVYOFVMCF-VXGBXAGGSA-N 318.381 -0.102 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)[C@H]3CCC(=O)NC3)C2)C1=O 1030590155 KOBREAFJRKYZPI-WCQYABFASA-N 320.393 -0.900 30 20 DBED C=CCN1CC[C@@H](N2CC(CNC(=O)c3cnnn3C)C2)C1=O 1031645150 CUYNBKZAJPGYGD-GFCCVEGCSA-N 318.381 -0.736 30 20 DBED C#CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CN2CC3CC2(CO1)C3 1032529572 NEGCGXSNYRMKIO-WHJSIAKGSA-N 301.390 -0.232 30 20 DBED COCc1nn(C)cc1C(=O)NC[C@H]1CN(CC#N)CCO1 1035426136 YHMGFNRUOVUUSA-NSHDSACASA-N 307.354 -0.479 30 20 DBED C=CCN1CCO[C@@H](CNC(=O)c2ccnc3[nH]nnc23)C1 1035441060 VKZDJSFEHBICOM-JTQLQIEISA-N 302.338 -0.031 30 20 DBED CC#CCN1CCO[C@H](CNC(=O)[C@@H]2COCCN2C(C)=O)C1 1035607971 DONBRGXVKTWXLE-CABCVRRESA-N 323.393 -0.926 30 20 DBED C=CCN1CC2(CCN(C(=O)CN3C(=O)CNC3=O)CC2)C1 1035847150 HIUFAIPQURFHRD-UHFFFAOYSA-N 306.366 -0.351 30 20 DBED C#CCN1CCC(C(=O)NC[C@@H]2CCN2[C@@H](C)C(=O)NC)CC1 1039042215 NPHGFDHWPNTROL-ZFWWWQNUSA-N 320.437 -0.343 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)Cc2cncnc2)C1 1039584797 KYXRBAFCDHJVGL-ABAIWWIYSA-N 317.349 -0.742 30 20 DBED Cn1ccc(C(=O)NC[C@@]2(O)CCN(C(=O)C#CC3CC3)C2)n1 1039760929 WCVYGIURVWNMLZ-INIZCTEOSA-N 316.361 -0.473 30 20 DBED N#CCN1[C@H]2CCC[C@H]1CN(C(=O)C[C@H]1CC(=O)NC1=O)C2 1040025526 JEJFQHXKRLUZPH-WOPDTQHZSA-N 304.350 -0.372 30 20 DBED C=CCCCC(=O)N1CC[C@](O)(CNC(=O)C2(C(N)=O)CC2)C1 1040740437 GWKIDDOIWPJNJH-HNNXBMFYSA-N 323.393 -0.312 30 20 DBED Cc1nccc(C(=O)N2CC[C@@](O)(CNC(=O)[C@@H](C)C#N)C2)n1 1040766689 RUFIHIQPIRZVOA-ZUZCIYMTSA-N 317.349 -0.362 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@]3(CCN(CC(N)=O)C3)C2)c1 1041178922 NTPORFNUMGELRF-HNNXBMFYSA-N 301.350 -0.090 30 20 DBED N#CCN1CC[C@@]2(CCN(C(=O)Cn3c(O)nnc3O)C2)C1 1041804983 FQQCXSBFFCNIPZ-CYBMUJFWSA-N 306.326 -0.863 30 20 DBED Cc1cc(CC(=O)NCC2(O)CN(C(=O)C#CC3CC3)C2)no1 1042162919 YWYRZWWBJIWQCL-UHFFFAOYSA-N 317.345 -0.372 30 20 DBED C=C(C)CCC(=O)N1CC(O)(CNC(=O)C[C@H]2COC(=O)C2)C1 1042554969 QGCZLHAQDFVTKD-GFCCVEGCSA-N 324.377 -0.015 30 20 DBED Cc1c[nH]nc1C(=O)NCC1(O)CN(C(=O)CSCC#N)C1 1042950185 YFKPOVHIQGINOR-UHFFFAOYSA-N 323.378 -0.722 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)C1CN(Cc2nncn2C)C1 1042960061 KZJIZJBCBQVMTA-AWEZNQCLSA-N 316.409 -0.445 30 20 DBED C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1Nc1nccnc1C#N 1043520706 KUUTUYAZTBPXIT-MWGHHZFTSA-N 314.349 -0.272 30 20 DBED C=CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)[C@@H](C)OC)C1 1043570218 GRXOMKJCXPMZAX-WDEREUQCSA-N 300.355 -0.698 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)[C@H]2CCCCN2C)C1 1043769359 GZGRECBACWTUFJ-CQSZACIVSA-N 321.421 -0.036 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)c3ccnnc3)C2)nn1 1044576102 FCEZCZBHITVINW-NEPJUHHUSA-N 311.305 -0.882 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(O)(CNC(=O)[C@@H](F)C(C)C)C1 1044959226 WJOKGUBJXXWDHP-GXTWGEPZSA-N 316.373 -0.003 30 20 DBED C=C[C@H](C)[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2cnon2)C1 1044980794 OZQREXOJSRAZKO-VHSXEESVSA-N 308.338 -0.169 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)[C@@H]2CCN(C)C2=O)C1 1045026519 KLVDEUFAAJLKIC-NSHDSACASA-N 323.393 -0.634 30 20 DBED CC#CCN1CC[C@@H](N2CCN(C(=O)[C@H]3COC(=O)N3)CC2)C1 1046025112 UKNJHRRXCLYITP-ZIAGYGMSSA-N 320.393 -0.663 30 20 DBED C=C1CC(C)(C(=O)NCC2(O)CN(C(=O)[C@@H]3CCNC3=O)C2)C1 1046312318 VLTZYGKNCMVKFG-LLVKDONJSA-N 321.377 -0.832 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cnn3ncccc23)C1 1047409601 OKPFTDAWRPRHKD-GJZGRUSLSA-N 313.361 -0.130 30 20 DBED CC(=O)N[C@@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C#CC(C)C)C1 1048797883 DOEZWMLLVSQHIN-UBHSHLNASA-N 323.393 -0.800 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@H](CNCc2nnnn2C2CC2)C1 1051494087 DMLIHYDKPGTXJE-ZYHUDNBSSA-N 319.369 -0.515 30 20 DBED C#CCCN1CCN([C@@H]2CCN(C(=O)[C@@H]3COCCO3)C2)CC1 1051990954 YRCSHVWPBLLPGK-CVEARBPZSA-N 321.421 -0.356 30 20 DBED C=CCCN1CCN([C@H]2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)CC1 1052085479 FRXCNBWMKLFQRH-ZNMIVQPWSA-N 320.437 -0.098 30 20 DBED C[C@@H]1CN(C(=O)Cn2nccn2)C[C@@H]1CNC(=O)C#CC1CC1 1052685088 YELIRANXTRIZKL-OCCSQVGLSA-N 315.377 -0.098 30 20 DBED CNC(=O)NCC(=O)N1C[C@@H](C)[C@H](CNC(=O)C#CC2CC2)C1 1052775058 APEQUDZYDTZZAG-DGCLKSJQSA-N 320.393 -0.461 30 20 DBED C#CCN1CC2(C1)CN(C(=O)[C@H]1CCCCN1C(N)=O)CCO2 1053505581 ZKASEHAZHRRPGW-CYBMUJFWSA-N 320.393 -0.534 30 20 DBED C[C@@H]1CN(C(=O)Cn2nc3ccccn3c2=O)C[C@@H]1NCC#N 1054952290 RUOGAFYLKDJINS-NEPJUHHUSA-N 314.349 -0.544 30 20 DBED CC(C)[C@@H](O)C(=O)NCCN1CCC(NC(=O)[C@H](C)C#N)CC1 1055570391 LTIPJAMQZRRKMP-TZMCWYRMSA-N 324.425 -0.140 30 20 DBED CC(=O)N1CC(C(=O)N2CCN(c3ccnc(C#N)n3)CC2)C1 1055783641 VYYUGUXSBBGFFU-UHFFFAOYSA-N 314.349 -0.525 30 20 DBED C=CCOCC(=O)N[C@@]1(CO)CCCN(C(=O)c2cnon2)C1 1055832442 XCCVZXRKDPUKGH-AWEZNQCLSA-N 324.337 -0.645 30 20 DBED C[C@@H](C(=O)N1CCN(c2cncc(C#N)n2)CC1)S(C)(=O)=O 1056072530 ZNTATLACPOARCO-JTQLQIEISA-N 323.378 -0.570 30 20 DBED C=CCC1(C(=O)N2CCC[C@](CO)(NC(=O)C(N)=O)C2)CCC1 1056087405 AOAKZJZVGQYHQE-INIZCTEOSA-N 323.393 -0.312 30 20 DBED CN(c1cnc(C#N)cn1)[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 1057017509 CPHKMWFCGNTORS-MNOVXSKESA-N 315.337 -0.933 30 20 DBED C=CCO[C@H](C)C(=O)NCCN(CCO)C(=O)[C@H](CC)OC 1057156774 JNZQSXFFXKADIU-OLZOCXBDSA-N 316.398 -0.060 30 20 DBED Cn1cc(C(=O)N2CCC(N=c3cc[nH]c(C#N)n3)CC2)nn1 1057326851 DIDSNJXVDNAOGR-UHFFFAOYSA-N 312.337 -0.385 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)Cc1n[nH]c(C)n1 1057541457 YJHVCJXZFRGNIV-UHFFFAOYSA-N 321.381 -0.604 30 20 DBED N#Cc1cnccc1N1CCC(NC(=O)Cn2ncnn2)CC1 1057902981 LUIZOLRLJRVGTB-UHFFFAOYSA-N 312.337 -0.275 30 20 DBED C[C@@H](C(=O)N[C@H]1CCN(c2ccc(C#N)nn2)C1)n1cncn1 1058318954 JUUKGYDQZRXFGL-JQWIXIFHSA-N 312.337 -0.104 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)CC1CCOCC1 1058652701 CLXZAGAHQGMNMA-GFCCVEGCSA-N 311.382 -0.100 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)CCn1cccc1 1058655248 UOYUEWBHSKQMRK-ZDUSSCGKSA-N 306.366 -0.025 30 20 DBED Cn1nnc(C(=O)NC[C@H]2CCCN2c2ccc(C#N)nn2)n1 1061428417 PXLPXDWMCKIZSQ-SNVBAGLBSA-N 313.325 -0.729 30 20 DBED CC(C)C#CC(=O)N1CCOC[C@@H]1CNC(=O)c1cnnn1C 1061545683 CGDMFCGYGOXIDM-LBPRGKRZSA-N 319.365 -0.568 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCCC[C@@H]1CNC(=O)CC(N)=O 1062211002 GDJIBRMIRCLVID-NWDGAFQWSA-N 309.366 -0.603 30 20 DBED CN(C(=O)[C@H]1CCOC1)[C@H]1CN(c2ccc(C#N)cn2)C[C@@H]1O 1065573191 MDBTVMALHVWCAM-IHRRRGAJSA-N 316.361 -0.002 30 20 DBED COC(=O)NCC(=O)N[C@H]1CCCN(C(=O)[C@@H](C)C#N)CC1 1065917862 IQIWMQRMMCNUBX-QWRGUYRKSA-N 310.354 -0.001 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCCN(C(=O)CC(=O)NC)CC1 1066170032 PBQBHIOZWDBQLU-CYBMUJFWSA-N 323.393 -0.340 30 20 DBED N#Cc1nccnc1N1CCOC[C@H]1CNC(=O)[C@@H]1CCCO1 1066457288 FCMSVYGKQIKIPM-YPMHNXCESA-N 317.349 -0.151 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H]1CN(C(=O)c2nc[nH]n2)CCO1 1066637387 FAHVWZNQTUILFA-NSHDSACASA-N 313.321 -0.554 30 20 DBED C[C@H]1CN(C(=O)Cn2cnnn2)C[C@H]1Nc1nccnc1C#N 1067042771 WKNFZRDCXNASFL-GXSJLCMTSA-N 313.325 -0.706 30 20 DBED N#Cc1nccc(N2C[C@@H](O)[C@H](CNC(=O)c3ccccn3)C2)n1 1067643446 WNRSGAYVNOFITO-DGCLKSJQSA-N 324.344 -0.030 30 20 DBED C=CCCC(=O)N[C@@H]1COC2(C1)CN(C(=O)[C@@H](C)CC(N)=O)C2 1068756582 DWVYXVIQEBBQDH-RYUDHWBXSA-N 323.393 -0.050 30 20 DBED C=CCC(C)(C)C(=O)N1CC2(C[C@@H](NC(=O)C(N)=O)CO2)C1 1068992061 FIYGVSLVCDUQJR-SNVBAGLBSA-N 309.366 -0.440 30 20 DBED C#CCN1CCn2ncc(CNC(=O)[C@@H]3COC(=O)N3)c2C1 1069859506 YJISTOXXHKQDSE-NSHDSACASA-N 303.322 -0.944 30 20 DBED C#CCN1CCn2ncc(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])c2C1 1069860426 SKMGDERCTSLQBW-VXGBXAGGSA-N 303.322 -0.387 30 20 DBED N#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)Cc2cnc[nH]2)C1 1070038267 MPGDKSKHMDGQJO-NEPJUHHUSA-N 300.326 -0.891 30 20 DBED N#CCN[C@@H]1CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C[C@@H]1n1ccnn1 1070280370 WTJNVMXZHOTNPP-POQQGIQPSA-N 316.365 -0.289 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCC[C@@H](NC(=O)[C@@H]2CCC(=O)N2)C1 1070904430 VACHQXIOFHKULE-XQQFMLRXSA-N 323.393 -0.037 30 20 DBED C=CCCN1CCCO[C@H](CNC(=O)C2CS(=O)(=O)C2)C1 1073620849 PNYTUJWLRLJFJO-CYBMUJFWSA-N 316.423 -0.186 30 20 DBED CCN1CCOC[C@H]1C(=O)NC[C@H]1CN(CC#N)CCCO1 1073669873 ABTDBQHCGZEBGV-KBPBESRZSA-N 310.398 -0.562 30 20 DBED C[C@H](C#N)C(=O)N1CCC(O)(CNC(=O)c2cnnn2C)CC1 1074705506 TYWMKENBYNLXHY-SNVBAGLBSA-N 320.353 -0.942 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)COCC1CC1 1076218136 XSSOILJOQMKNMJ-LBPRGKRZSA-N 323.393 -0.437 30 20 DBED C[C@@H](CCNC(=O)C1CCN(C(N)=O)CC1)NC(=O)[C@@H](C)C#N 1076457339 ZFFFSJAYWWPGIZ-QWRGUYRKSA-N 323.397 -0.052 30 20 DBED C#CCOCCC(=O)NCC[C@H](C)NC(=O)C(C)(C)C(N)=O 1076505898 DAYLMVWYUKHNPO-NSHDSACASA-N 311.382 -0.451 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)c2ccc3c(c2)NC(=O)CO3)C1 1077171884 ZVDBCEZOPZXDHN-CHWSQXEVSA-N 317.345 -0.022 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2cnc(C(F)(F)F)nc2)C1 1077193528 HTSYLGMDWXSXIP-NXEZZACHSA-N 314.267 -0.097 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC(=O)NC2)C1 1077280712 IXZMCUPLYHTXDX-GMTAPVOTSA-N 301.774 -0.574 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)CCN(C)C 1078198863 GVJWJBVVAJJQOT-LBPRGKRZSA-N 310.398 -0.911 30 20 DBED N#CCN[C@@H]1C[C@@H](NC(=O)Cn2ccc(O)nc2=O)C12CCC2 1078672750 FITBGXDZPHYNCC-GHMZBOCLSA-N 317.349 -0.511 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(N(CC)C(=O)[C@H]2CCC(=O)N2)C1 1079486705 IBBRCODZQOZSBU-MLGOLLRUSA-N 323.393 -0.349 30 20 DBED C#CCNC(=O)CC(=O)N(CC)C1CN(C(=O)C(C)(F)F)C1 1079637891 PLBJTHBDVYHQSL-UHFFFAOYSA-N 315.320 -0.160 30 20 DBED C#CCCCC(=O)N1CC(N(CC)C(=O)[C@H]2CCNC2=O)C1 1080217617 IYKHJXLZSMXUQZ-ZDUSSCGKSA-N 305.378 -0.015 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@H](CNC(=O)Cc2ccoc2)C1 1081428880 XHFKHWURMRANMM-ZIAGYGMSSA-N 322.361 -0.040 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)CC(C)(C)O)C[C@@H]1O 1081441559 JIQJVLGHTZICCE-OLZOCXBDSA-N 310.394 -0.114 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)Cn2ccnc2)C[C@H]1O 1081444770 MTGGTEZWJMYBEL-ZIAGYGMSSA-N 318.377 -0.378 30 20 DBED CC(C)(C)C#CC(=O)NC[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1O 1081477476 TWZTXAXRVBBAIV-MNOVXSKESA-N 319.365 -0.597 30 20 DBED C=C(C)CCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2cnon2)C1 1081682034 KZOBIDQXVUFPFG-ZYHUDNBSSA-N 308.338 -0.025 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CN1CCCCC1=O 1083129374 HLKIVZATHARQFK-UONOGXRCSA-N 305.378 -0.456 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)c2c(C)c[nH]c2CC(N)=O)C1 1083794442 UHFNEUQXGOWKPL-NEPJUHHUSA-N 306.366 -0.688 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)c2cn(C[C@@H]3CCOC3)nn2)C1 1083900536 SZIAYDAHOPNGSB-SCRDCRAPSA-N 321.381 -0.725 30 20 DBED C#CCN[C@H]1C[C@@H](CNC(=O)[C@H]2CCc3nnc(O)n3C2)C1 1086124737 BSHKVUPAXYRRMV-SDDRHHMPSA-N 303.366 -0.336 30 20 DBED C#CCN1CC[C@@H](NC(=O)CN2C(=O)CNC2=O)CC(C)(C)C1 1089555143 IRRJLWFELQWSHQ-GFCCVEGCSA-N 320.393 -0.222 30 20 DBED COCc1cncc(C(=O)N[C@H]2CCN(CC#N)C[C@H]2O)c1 1090329761 MIKVYZCAVSLWGW-UONOGXRCSA-N 304.350 -0.083 30 20 DBED C=CCN1CC[C@H](NC(=O)c2cn3c(n2)COCC3)[C@@H](O)C1 1090360651 LQRCJHDCVBMNEK-AAEUAGOBSA-N 306.366 -0.236 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1O 1090392117 PSUWBXOUSHYHKF-GHMZBOCLSA-N 303.322 -0.783 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2cn3cccnc3n2)[C@@H](O)C1 1090393136 GITWWYPYDWDEDD-OCCSQVGLSA-N 313.361 -0.082 30 20 DBED C=CCN1CC[C@H](NC(=O)c2cccc(C(N)=O)n2)[C@H](O)C1 1090839882 SMWWCNREXVLTTA-GXFFZTMASA-N 304.350 -0.469 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@@H]1O 1091092863 OOUUYIMVFGVJPF-WWGRRREGSA-N 316.361 -0.054 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)C3=COCCO3)c3nccn32)C1 1092344052 MQLNUNHYJXRFPI-NSHDSACASA-N 315.333 -0.133 30 20 DBED CCNC(=O)CC(=O)N1CCN(c2ccc(C#N)nn2)CC1 1093148660 LYBISQJVAGVRJF-UHFFFAOYSA-N 302.338 -0.477 30 20 DBED C#CCOCCC(=O)N[C@H]1[C@@H]2CN(c3cncc(C#N)n3)C[C@@H]21 1093312203 VRDUGHWSUIIRFX-VIKVFOODSA-N 311.345 -0.061 30 20 DBED N#Cc1nccnc1NCCNC(=O)[C@@H]1CCS(=O)(=O)C1 1093976720 APZUZKXJWRHLLS-SECBINFHSA-N 309.351 -0.689 30 20 DBED C#CCN1CC(n2cc(CNC(=O)[C@@H]3C[C@H]4CC[C@H]3O4)nn2)C1 1094281527 VZAWIALBZSHRCB-RBSFLKMASA-N 315.377 -0.048 30 20 DBED N#Cc1nc(=NCCCNC(=O)[C@@H]2CC[C@H]2C(N)=O)cc[nH]1 1094702989 GZDCYBDQXWDHHU-NXEZZACHSA-N 302.338 -0.800 30 20 DBED C[C@@]1(C(=O)N[C@@H]2CC(=O)N(C3CN(CC#N)C3)C2)CCOC1 1094802235 SYKRWDZHWHRAPT-IAQYHMDHSA-N 306.366 -0.662 30 20 DBED CCc1nc(C#N)cc(NCCCNC(=O)CNC(=O)NC)n1 1094857485 SXTJSZWOPNKHGV-UHFFFAOYSA-N 319.369 -0.242 30 20 DBED N#Cc1cnc(NCCCNC(=O)CN2CCOCC2=O)cn1 1094859709 ATNPFLBMUFGCLH-UHFFFAOYSA-N 318.337 -0.875 30 20 DBED CC(C)(C(N)=O)C(=O)NC1CCN(c2nccnc2C#N)CC1 1095433560 UZNUYMOULHDLBO-UHFFFAOYSA-N 316.365 -0.055 30 20 DBED N#Cc1ccc(N[C@@H](CNC(=O)[C@H]2COC(=O)N2)C2CC2)nn1 1096660737 ZAEQBWWQUMCRBZ-WDEREUQCSA-N 316.321 -0.237 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(N)=O 1097247510 FPDPRPMMTWRQKZ-MQYQWHSLSA-N 304.394 -0.709 30 20 DBED Cc1nc(N[C@@H](C)CNC(=O)[C@H]2CNC(=O)N2)ccc1C#N 1098250128 HTMOTICSVXXBBC-GZMMTYOYSA-N 302.338 -0.140 30 20 DBED N#CCN(CCO)C1CCN(C(=O)C[C@@H]2CCNC2=O)CC1 1098390915 ZKUKLOUJMPSILC-LBPRGKRZSA-N 308.382 -0.679 30 20 DBED CC(=O)N[C@H](C)C(=O)N1CC[C@@H](CN=c2cc[nH]c(C#N)n2)C1 1098495894 FAKUTSOINNUAPD-PWSUYJOCSA-N 316.365 -0.445 30 20 DBED Cn1nc(C(=O)N2CCC(N(CC#N)CCO)CC2)ccc1=O 1098555446 JPXHADKUUAIJDS-UHFFFAOYSA-N 319.365 -0.797 30 20 DBED CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)Cn2ncn(C)c2=O)C1 1098912348 FDQAIHVLRSGTJT-BBRMVZONSA-N 317.393 -0.424 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2cnsn2)[C@H](O)C1 1099690314 NJKQHRGNHVXOSB-ZYHUDNBSSA-N 310.379 -0.647 30 20 DBED Cn1cc(CCN2CC[C@H](NC(=O)C#CC3CC3)[C@H](O)C2)cn1 1099827071 SXRQOOZUWHPWIR-JKSUJKDBSA-N 316.405 -0.073 30 20 DBED Cn1nccc1COCC(=O)N[C@H]1CCN(CC#N)C[C@H]1O 1099890210 ONNTXTPDPQWCSV-QWHCGFSZSA-N 307.354 -0.988 30 20 DBED C=CCCCC(=O)N[C@@H]1CCN(Cc2nnnn2C)C[C@@H]1O 1099977249 WTZWIEHZRXUEQG-NEPJUHHUSA-N 308.386 -0.382 30 20 DBED C#CCNC(=O)CC(=O)NCCN(C)c1ncc(C#N)cc1F 1100037488 AXIGDVVKIQDWFT-UHFFFAOYSA-N 317.324 -0.216 30 20 DBED CCn1cc(C(=O)NCC2CC(NCC(=O)NCC#N)C2)cn1 1100198003 LHHRCLAOYGBUAV-UHFFFAOYSA-N 318.381 -0.359 30 20 DBED N#Cc1nccnc1N1CCC[C@@H]1CNC(=O)CCNC(N)=O 1100833509 TWPCVPWNAJONSG-SNVBAGLBSA-N 317.353 -0.508 30 20 DBED CCNC(=O)CC(=O)NC[C@H]1CCN(c2cnc(C#N)cn2)C1 1100976033 UWAZPMYHJZGMPQ-LLVKDONJSA-N 316.365 -0.183 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC2(C[C@@H](NC(C)=O)c3nccn32)C1 1101599798 WXOFYBYDDPQZAW-DGCLKSJQSA-N 315.377 -0.387 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)c2c[nH]nc2C)C1 1102207513 ZIBWKUXGUFUBGB-DGCLKSJQSA-N 317.393 -0.235 30 20 DBED CC[C@H](CNC(=O)[C@H]1CCN(C)C1=O)N=c1cc[nH]c(C#N)n1 1103267239 UUCLMSJAMSSJJL-GHMZBOCLSA-N 316.365 -0.445 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)c1cn(C)c(O)n1 1104795149 QTMPIVOAXABUBN-SECBINFHSA-N 315.337 -0.218 30 20 DBED N#Cc1nc(=NC[C@@H](O)CNC(=O)CC[C@H]2CCCO2)cc[nH]1 1105778078 LOZJHQZZSISCLS-VXGBXAGGSA-N 319.365 -0.382 30 20 DBED CO[C@@H](C(=O)NC[C@@H](O)CNc1cnc(C#N)cn1)C1CC1 1105832463 CXFYLEIAKKNJQW-WCQYABFASA-N 305.338 -0.338 30 20 DBED COCC[C@H](C)C(=O)NC[C@H](O)CNc1cncc(C#N)n1 1105860422 VYVARCUGSQLKAL-CMPLNLGQSA-N 307.354 -0.090 30 20 DBED C#Cc1ccc(C(=O)NC[C@H](O)CN=c2cc[nH]cc2C#N)cn1 1105910529 WTSZOSQTQZYROV-OAHLLOKOSA-N 321.340 -0.046 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H](O)CNc1nc(C)cc(OC)n1 1105970601 KHSIEVSPDBAFOZ-NWDGAFQWSA-N 322.365 -0.279 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H](O)CNC(=O)[C@@]12COC[C@@H]1C2 1106144927 CQNHQRYJDUHPLF-ZOWXZIJZSA-N 302.334 -0.699 30 20 DBED C[C@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)c1cnnn1C 1106313781 QMVYUZGQXONOIC-SECBINFHSA-N 300.326 -0.481 30 20 DBED CCS(=O)(=O)CC(=O)NC/C=C\CNc1cnc(C#N)cn1 1107222159 JSXVWVBKRUCBOD-ARJAWSKDSA-N 323.378 -0.133 30 20 DBED C=CCn1cc(C(=O)NC/C=C/CN=c2cc[nH]c(C#N)n2)nn1 1107541582 XTLFPPOCFRLFDU-ONEGZZNKSA-N 324.348 -0.054 30 20 DBED CNC(=O)NCC(=O)NC/C=C/CNc1cnc(C#N)cn1 1107570008 MYPINBCIMKDQMN-NSCUHMNNSA-N 303.326 -0.638 30 20 DBED C[C@@H](C(=O)N[C@H](C)CNc1nccnc1C#N)S(C)(=O)=O 1108195031 KXDCNUGGUOQBCZ-BDAKNGLRSA-N 311.367 -0.302 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)CCN1CCOCC1 1108442389 MDJXSRMNAZMBAF-LBPRGKRZSA-N 318.381 -0.591 30 20 DBED C#CCCN1CC(N2C[C@@H](NC(=O)CCN(C)C)CC2=O)C1 1108569598 LFLUSTKJCIIITP-ZDUSSCGKSA-N 306.410 -0.637 30 20 DBED C=CCC(C)(C)C(=O)N[C@H]1CC(=O)N(C2CN(CC(N)=O)C2)C1 1108576759 YPQBQPJBVZBWOE-NSHDSACASA-N 322.409 -0.525 30 20 DBED C[C@@H](CC(=O)N[C@@H](C)CN(C)c1cnc(C#N)cn1)NC(N)=O 1109096955 IHHONIBLXDZZAT-UWVGGRQHSA-N 319.369 -0.264 30 20 DBED C[C@@H](CN(C)c1cncc(C#N)n1)NC(=O)[C@H]1CCN(C)C1=O 1109182591 BXPKUPYAJOVEEB-CMPLNLGQSA-N 316.365 -0.233 30 20 DBED N#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCCS(N)(=O)=O 1109657556 UJWAKBZBPXJHFQ-VWYCJHECSA-N 300.384 -0.700 30 20 DBED N#Cc1ccc(NC2(CNC(=O)CCNC(N)=O)CC2)nn1 1110143233 NUAPKDPVNJMUTC-UHFFFAOYSA-N 303.326 -0.533 30 20 DBED CN1CC[C@@H](C(=O)N(CCO)CCNc2cncc(C#N)n2)C1 1111475447 OAZHRZMFUOFYSA-GFCCVEGCSA-N 318.381 -0.467 30 20 DBED NC(=O)NC(=O)CN1C[C@@H]2CCC[C@]2(NC(=O)C#CC2CC2)C1 1111740832 QCFLMJRSGQQGGC-LRDDRELGSA-N 318.377 -0.435 30 20 DBED C=CCCCC(=O)N1CCN(CC(=O)N2CCNC(=O)C2)CC1 1113282260 SZYJDRGEGQPBAS-UHFFFAOYSA-N 322.409 -0.555 30 20 DBED N#CCNC(=O)CN1C[C@H]2C(NC(=O)COC3CCCC3)[C@@H]2C1 1113937235 CAPCSBNEMOZYDO-CHWSQXEVSA-N 320.393 -0.368 30 20 DBED C=CCNC(=O)NC(=O)CN1C[C@H]2C(NC(=O)[C@@H](C)C#N)[C@@H]2C1 1114067219 OSKVDCBPNCDZTF-HBNTYKKESA-N 319.365 -0.796 30 20 DBED C=C(C)CCN1C[C@H]2[C@H](NC(=O)CNS(=O)(=O)CC)[C@H]2C1 1114363435 DBLBTUXASZVZAC-IMRBUKKESA-N 315.439 -0.062 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)CCc3ccon3)[C@H]2C1 1114570548 HARZJEIFCZSEAV-STQMWFEESA-N 316.361 -0.597 30 20 DBED C[C@@H](CN(C)C(=O)[C@@H]1CN(C)CCO1)N=c1cc[nH]cc1C#N 1115664301 MRXBMLVXPKHJRV-WFASDCNBSA-N 317.393 -0.035 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CC[C@@H](C2OCCO2)C1)[C@@H]1CCCO1 1119781524 WQCOKERWEJUMKS-AGIUHOORSA-N 322.361 -0.495 30 20 DBED Cn1cnc(C(=O)NC[C@@H](CO)Nc2ccc(C#N)cn2)n1 1121431920 GMUAKLZWVUMVJE-JTQLQIEISA-N 301.310 -0.715 30 20 DBED N#Cc1nc(=N[C@@H](CO)CNC(=O)C[C@@H]2CCCOC2)cc[nH]1 1121600051 XZDKNMOIIXYAOO-NWDGAFQWSA-N 319.365 -0.524 30 20 DBED CNC(=O)NCC(=O)N1C[C@@H](Nc2nccnc2C#N)C[C@H]1C 1123319681 NJMXALYBVYAIKB-ZJUUUORDSA-N 317.353 -0.321 30 20 DBED CN(C[C@@H](O)CNc1ccc(C#N)nc1)C(=O)[C@@H]1COCCO1 1124047737 WOTAUTDKIZTLTI-KBPBESRZSA-N 320.349 -0.400 30 20 DBED CN(C[C@@H](O)CN(C)c1cncc(C#N)n1)C(=O)c1cnn[nH]1 1125373500 FJKQGWRFZFVULW-JTQLQIEISA-N 316.325 -0.964 30 20 DBED COCC#CCNCCNC(=O)[C@H](C)NC(=O)CC(F)(F)F 1127968205 WGAUMEGUZHJZJC-JTQLQIEISA-N 323.315 -0.201 30 20 DBED C#CCN1CCn2ncc(CNC(=O)Cc3ccnn3C)c2C1 1128327174 JHCQHBCYAMZTSJ-UHFFFAOYSA-N 312.377 -0.076 30 20 DBED C#CCO[C@@H](C)C(=O)NCc1cnn2c1CN(CC#C)CC2 1128363313 WESWRDAXWJHHBI-ZDUSSCGKSA-N 300.362 -0.014 30 20 DBED C=C(C)CN(CC)C(=O)CNCCNC(=O)C[C@@H]1CCNC1=O 1129297172 KNIRGRNWUOLRBN-ZDUSSCGKSA-N 324.425 -0.357 30 20 DBED C=CCCC(=O)N1C[C@H](n2ccnn2)[C@H](N[C@H]2CCNC2=O)C1 1129666799 JAURQLLHUMYOQM-XQQFMLRXSA-N 318.381 -0.526 30 20 DBED CC#CCN[C@@H]1CN(C(=O)[C@@H](COC)OC)C[C@@H]1n1ccnn1 1130002481 FJICLOZNLWKNSH-HZSPNIEDSA-N 321.381 -0.696 30 20 DBED CC#CCN[C@@H]1CN(C(=O)[C@H](COC)OC)C[C@@H]1n1ccnn1 1130002482 FJICLOZNLWKNSH-RDBSUJKOSA-N 321.381 -0.696 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)[C@@]2(C)CCNC(=O)C2)C1=O 1130205106 GSXLIYOQLWKXBL-LRDDRELGSA-N 322.409 -0.605 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1cccn2nccc12 1130823418 ZTJPZRVFGCBGCA-LBPRGKRZSA-N 313.361 -0.208 30 20 DBED C[C@@H]1CC[C@H](NC(=O)c2cccnn2)CN1CC(=O)NCC#N 1132369410 WZAFPYBSZZGDJE-NEPJUHHUSA-N 316.365 -0.301 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)CCc1ccc(O)nc1 1132856159 OTBWSYFHQLZXIS-LBPRGKRZSA-N 318.377 -0.437 30 20 DBED Cc1cc(C)n(CCCC(=O)NCCNCC(=O)NCC#N)n1 1134538214 QAOFCSRFVAVCSD-UHFFFAOYSA-N 320.397 -0.374 30 20 DBED COCC#CCN1CCC2(C1)CN(C(=O)[C@H]1COC(=O)N1)C2 1147455765 QUQVKBGTZQWUJV-GFCCVEGCSA-N 307.350 -0.721 30 20 DBED C#Cc1ccc(C(=O)NCCNCCNS(=O)(=O)CC)nc1 1148376364 HZMJGLVMKMSUCK-UHFFFAOYSA-N 324.406 -0.678 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)[C@@H](C)N2C(=O)CCC2=O)C1 1149816509 BQFKGAMTSRSQKA-CHWSQXEVSA-N 321.377 -0.636 30 20 DBED CC#CCN1CCCO[C@@H](CNC(=O)C(C)(C)NC(=O)NC)C1 1150778319 KNLXZHGPBIMZSP-ZDUSSCGKSA-N 324.425 -0.076 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@@H](Cc1ccccc1)OC 1151606648 NDWBWZARKDFUOG-OAHLLOKOSA-N 317.389 -0.301 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)[C@H](C)CS(C)(=O)=O 1152626558 KPIIYUWBICTPCF-MNOVXSKESA-N 319.427 -0.936 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)C1CN(C(C)=O)C1 1153001531 UJDZTOIQCFAHPY-GFCCVEGCSA-N 322.409 -0.959 30 20 DBED COc1cnc(C(=O)NCCCNCC(=O)NCC#N)c(F)c1 1159484918 CYWDDBAHWWKZSR-UHFFFAOYSA-N 323.328 -0.421 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 1160325618 BVBLGYPQNSBRTD-VXGBXAGGSA-N 305.382 -0.089 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)C(C)(C)N(C)CC 1161226604 KUICXRWPYXOCFE-CYBMUJFWSA-N 310.442 -0.050 30 20 DBED COCC1(CNC(=O)CN2CCCC2=O)CCN(CC#N)CC1 1162096656 PZIUOQSPRCAVJE-UHFFFAOYSA-N 322.409 -0.023 30 20 DBED CC(C)c1cc(C(=O)NCCCNCC(=O)NCC#N)n[nH]1 1167150791 WBXMTZXTQJXTON-UHFFFAOYSA-N 306.370 -0.118 30 20 DBED CC#CCNCCCC[C@H](C)NC(=O)CNS(=O)(=O)NC 1171924262 MYBMJKIZDDRRFF-LBPRGKRZSA-N 318.443 -0.672 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CCNC(=O)C2)[C@H]1C 1178455536 GPJDOLGVPVMGLZ-AVGNSLFASA-N 322.409 -0.606 30 20 DBED C=CCNCCCCCCNC(=O)Cn1ccc(=O)n(C)c1=O 1178633841 HLKOPVHRICKUJL-UHFFFAOYSA-N 322.409 -0.001 30 20 DBED C[C@H]1[C@@H](NCC#N)CCN1C(=O)CNC(=O)c1ccccn1 1180211676 MSQGRAXWTUVBAW-RYUDHWBXSA-N 301.350 -0.086 30 20 DBED C=CCCOCC(=O)N1CC[C@H](NCc2nnnn2C)[C@@H]1C 1180254183 XJZBBDSAUSZSOX-RYUDHWBXSA-N 308.386 -0.118 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2cnn(C)c2)C1 1180913868 NISURQFYMGWWBL-WCQYABFASA-N 303.366 -0.638 30 20 DBED C#CCNC[C@]1(C)CN(C(=O)[C@@H]2CCS(=O)(=O)N2)C[C@H]1C 1183432413 FLRLRMXLXJMJDA-MBNYWOFBSA-N 313.423 -0.615 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)c2cc(=O)c(OC)c[nH]2)C1 1184280439 KHZFXHRLUSZWGA-GFCCVEGCSA-N 319.361 -0.163 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H](C)Cc2cnc[nH]2)C1 1186221740 NHPANJOWVSKRNC-QWHCGFSZSA-N 317.393 -0.472 30 20 DBED C=CCOCC(=O)N1CC[C@H]2CN(CC(=O)NCC#N)C[C@H]21 1187296426 ODNRMMBSXPRVEO-QWHCGFSZSA-N 306.366 -0.639 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@@H]1CCN(C(=O)COCC=C)C1 1189370917 MJPJTCHVJHHPAC-UONOGXRCSA-N 307.394 -0.140 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](N(C)Cc2cncn2C)C1 1189761414 ZESKVJXFTYFGGL-CYBMUJFWSA-N 317.393 -0.408 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC[C@@H](N(C)CCOCCO)C1 1189917492 HIAFGOPFLHQAEH-UKRRQHHQSA-N 300.399 -0.145 30 20 DBED CCC[C@H](C)CC(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1O 1191675928 CKNLLHMZQXASNS-YNEHKIRRSA-N 310.398 -0.386 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)C2CCN(C)CC2)C1 1192133376 ABRMKBPXKBKHOR-HNNXBMFYSA-N 320.437 -0.390 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)N1CC[C@@H](N(C)CC(=O)NC)C1 1192687406 GHBSNAHJEPQFDS-KGLIPLIRSA-N 324.425 -0.264 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)OCCOC)C1 1196588603 BBPLVVGQFJMNGF-IJLUTSLNSA-N 306.790 -0.048 30 20 DBED CN(C)S(=O)(=O)CCC(=O)N1CCCN(CC#N)CC1 1198221211 GHUJPFVFAUXNSK-UHFFFAOYSA-N 302.400 -0.674 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)c2ccc(O)nn2)CC1 1199177821 NDWFFNURBYDWHO-UHFFFAOYSA-N 319.365 -0.321 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)C[C@@H]2CCOC2)CC1 1199910603 ABEFGCJGAOWXGS-ZDUSSCGKSA-N 307.394 -0.257 30 20 DBED C=CCNCC1CCN(C(=O)CN2CCC(=O)NC2=O)CC1 1206794295 LKNKQGWUKHUAAN-UHFFFAOYSA-N 308.382 -0.058 30 20 DBED COCC#CCN[C@H]1CCCN(C(=O)CS(C)(=O)=O)C1 1207560641 FMXIBFVOYUIXGC-LBPRGKRZSA-N 302.396 -0.739 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)C(C)(C)C(N)=O)[C@H](C)C1 1207643906 RMCYLDHAZIFVFE-GRYCIOLGSA-N 322.409 -0.928 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)C[C@](C)(O)C=C)C1 1207949189 AKICBXGLZFWMIM-CZUORRHYSA-N 307.394 -0.357 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)c2[nH]nnc2C)C1 1208902536 VZMQEDVPYHWKQV-NSHDSACASA-N 306.370 -0.390 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)Cc2cnc[nH]2)C1 1209837746 SGLRIMIWOLVSHN-GFCCVEGCSA-N 305.382 -0.165 30 20 DBED CC#CCN[C@@H]1CCCN(C(=O)CC[C@@H]2NC(=O)NC2=O)C1 1210995379 SKFFVFRPACODJP-NEPJUHHUSA-N 306.366 -0.422 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCCN(C(=O)CN2CCCC2)C1 1211090282 JGJQGHCYFJMFIS-LSDHHAIUSA-N 320.437 -0.199 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2cncnc2)C[C@H]1C 1214493280 FWFOOVYZJNYEEL-MBNYWOFBSA-N 315.377 -0.335 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C[C@H]1C 1215551727 XSMJXKOUPMQYEB-APIJFGDWSA-N 321.421 -0.026 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2ccncn2)C[C@H]1C 1215998776 BCKMEQDBINDUJG-YRGRVCCFSA-N 315.377 -0.335 30 20 DBED CCCOCC(=O)N1CCO[C@@H]2CN(CC#CCOC)C[C@@H]21 1217457204 WUAMMMKCLJEMLG-LSDHHAIUSA-N 310.394 -0.026 30 20 DBED C#CCOCCC(=O)N1CCO[C@@H]2CN([C@@H](C)COC)C[C@@H]21 1217888160 XTQQVHUQUQFCNS-SOUVJXGZSA-N 310.394 -0.027 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2nccnc2C)C[C@@H]1O 1219605376 QIZGKSQQHDFDIN-CFVMTHIKSA-N 318.377 -0.515 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)Cc2cncc(C)c2)C1 1220072025 BJDBQGDGTDBDLZ-CVEARBPZSA-N 317.389 -0.256 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C[C@@H](C)CC(C)C)C1 1220741960 KOEJYCATHRBWMZ-ZNMIVQPWSA-N 323.437 -0.031 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)c2nonc2C)C1 1222105884 XNAPACDTEHTYRD-NSHDSACASA-N 305.338 -0.678 30 20 DBED COCC#CCN1CCC(CNC(=O)[C@@H](C)NC(C)=O)CC1 1222308278 CHKYUCTWKBHIGR-CYBMUJFWSA-N 309.410 -0.011 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)C[C@@H]2COC(=O)C2)CC1 1226876232 PCAUGGKDVZDPAP-LBPRGKRZSA-N 323.393 -0.178 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)CCc2ncc[nH]2)CC1 1227099035 APQDTFJCUUSFDO-UHFFFAOYSA-N 317.393 -0.328 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC(NC(=O)c2cn(C)nn2)CC1 1227152040 RCFUOJKAFIYQLH-LLVKDONJSA-N 318.381 -0.853 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC(NC(=O)[C@H](C)OCC#C)CC1 1227308501 XESRCOCRRQQXHC-KGLIPLIRSA-N 319.405 -0.257 30 20 DBED CN1CCC(N2CC[C@@H](NC(=O)C(=O)NCCCC#N)C2)CC1 1258413062 DTQVJZGNGPOCOB-CYBMUJFWSA-N 321.425 -0.309 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N1CCCN(CCC)C(=O)C1 1323528823 TZDVICFUAZNHPA-LBPRGKRZSA-N 311.382 -0.226 30 20 DBED CN1C[C@H](C(=O)NCC(=O)NCC#N)c2ccccc2C1=O 1323750938 IRGPNZMVTIAWJU-LBPRGKRZSA-N 300.318 -0.388 30 20 DBED N#CCNC(=O)CNC(=O)c1cccc(N2CCNC2=O)c1 1324391401 KYZKUJHKBMWTJM-UHFFFAOYSA-N 301.306 -0.414 30 20 DBED C=C(C)CN(CC)C(=O)C(=O)Nc1ccc(=O)n(CC(N)=O)c1 1329647185 NWBNGYYYPZMOSK-UHFFFAOYSA-N 320.349 -0.303 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@@H]1CCCN(CC)C1=O)[C@H]1CCCO1 1334244751 MUQDDCASQWNUKJ-YNEHKIRRSA-N 321.377 -0.590 30 20 DBED C#CCNCC(=O)NCCN1Cc2ccccc2OCC1=O 1341680196 PFVUBILTRODCPS-UHFFFAOYSA-N 301.346 -0.253 30 20 DBED C=CCN1CCC(NC(=O)C(=O)N[C@@H]2CCN(C(C)=O)C2)CC1 1347951838 KLJDQQZJHGASQU-CQSZACIVSA-N 322.409 -0.510 30 20 DBED CN(CC(=O)NCc1ccnc(C#N)c1)[C@@H]1CCS(=O)(=O)C1 1362624326 XXSUAHWOPNHRNF-CYBMUJFWSA-N 322.390 -0.312 30 20 DBED N#CC[C@]1(O)CCN(C(=O)c2cccc(CS(N)(=O)=O)c2)C1 1363131039 ZQNJOKIIDCHPDG-AWEZNQCLSA-N 323.374 -0.034 30 20 DBED COC1CCN(CCNc2[nH]c(=O)n(C)c(=O)c2C#N)CC1 1364144764 IWJICPKQHDRFQU-UHFFFAOYSA-N 307.354 -0.532 30 20 DBED CNC(=O)NCC(=O)N[C@@H](CNC(=O)[C@H](C)C#N)CC(C)C 1375828199 HRISWOBCKVCRHM-GHMZBOCLSA-N 311.386 -0.278 30 20 DBED C[C@H](C#N)C(=O)N(C)C[C@H]1CCN(C(=O)CCNC(N)=O)C1 1387616138 DVGRTKNJVHHETJ-GHMZBOCLSA-N 309.370 -0.489 30 20 DBED C[C@H](C#N)C(=O)N(C)CCNC(=O)[C@@H]1CCc2nnc(O)n2C1 1387839771 RKVUCCSIZYMWLV-NXEZZACHSA-N 320.353 -0.720 30 20 DBED C[C@@H](CNC(=O)CCCS(C)(=O)=O)NC(=O)[C@H](C)C#N 1393039460 AVJLHPLEKBPZAQ-ZJUUUORDSA-N 303.384 -0.408 30 20 DBED CCn1nc(C(=O)N[C@H](C)CNC(=O)[C@H](C)C#N)ccc1=O 1397581258 UPHCAKRGXCFLDI-NXEZZACHSA-N 305.338 -0.343 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1ncn(C(C)(C)C)n1 1399869348 NMJPFCKFIGMRBK-NXEZZACHSA-N 322.369 -0.600 30 20 DBED C=C(Cl)CNC[C@H](O)CN(C)C(=O)CCN1CCOCC1 1403880887 YRGLLQYUZVUGAW-ZDUSSCGKSA-N 319.833 -0.130 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](NC(=O)CCNC(N)=O)C1CCCC1 1410949720 BIPZTKSDPFGWIW-ZYHUDNBSSA-N 323.397 -0.004 30 20 DBED COC(=O)C1(C#N)CCN(S(=O)(=O)N=S(C)(C)=O)CC1 1414255459 GDROHVDKCMDRNJ-UHFFFAOYSA-N 323.396 -0.262 30 20 DBED CC(C)OCC(=O)NCCN1CCN(C(=O)[C@@H](C)C#N)CC1 1414747332 JCRYNROATFYNSC-ZDUSSCGKSA-N 310.398 -0.169 30 20 DBED CCCN1C[C@H](C(=O)N2CC(CNC(=O)[C@H](C)C#N)C2)CC1=O 1416122931 XYNBJSDYFQNJTR-DGCLKSJQSA-N 320.393 -0.021 30 20 DBED CCCC[C@@H](NC(=O)Cn1cc(C#N)c(O)nc1=O)C(=O)OC 1417705048 OFXQCPVMVKAFKU-SNVBAGLBSA-N 322.321 -0.331 30 20 DBED CNC(=O)CC1CCN(c2[nH]c(=O)n(C)c(=O)c2C#N)CC1 1421082191 RUYUNYCDHPXGEG-UHFFFAOYSA-N 305.338 -0.702 30 20 DBED CCn1cc(CC(=O)N(C)C[C@@H](O)CNC(=O)[C@H](C)C#N)cn1 1428271727 LAWSOAZFJISNHJ-YPMHNXCESA-N 321.381 -0.459 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)c2cn(C)cn2)C1 1434333957 WDTCLWYMTRLRKI-HZMBPMFUSA-N 305.338 -0.727 30 20 DBED C=C(Cl)CN[C@@H](CNC(=O)CN1CCNC(=O)C1)C1CC1 1436804369 VLUJSRZGNYJJKI-LBPRGKRZSA-N 314.817 -0.345 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)CCN3CCCC3=O)[C@H]2C1 1454495603 ZULGOBFUHFGJOZ-FJJYHAOUSA-N 318.377 -0.268 30 20 DBED Cn1c(N[C@H](CO)[C@@H]2CCCOC2)c(C#N)c(=O)n(C)c1=O 1458431933 SUGVROKGNZESKL-MWLCHTKSSA-N 308.338 -0.845 30 20 DBED C[C@@H]1CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)C[C@@H]1CO 1470415648 CEIKTJMCUPYIBK-ZYHUDNBSSA-N 320.349 -0.312 30 20 DBED N#CCNC(=O)CN1CCC[C@H](NC(=O)Cc2cccnc2)C1 1481533790 PAAQAVRXMOEXGN-AWEZNQCLSA-N 315.377 -0.156 30 20 DBED CCN(CCC#N)C(=O)CN1CC(NC(=O)c2nc(C)c[nH]2)C1 1494464736 CDTQJXWJHPRLBA-UHFFFAOYSA-N 318.381 -0.106 30 20 DBED CCn1nc(C(=O)NC[C@H](C)CNC(=O)[C@@H](C)C#N)ccc1=O 1500321366 AHZMPMLZLIMANO-MNOVXSKESA-N 319.365 -0.095 30 20 DBED C[C@H](NC(N)=O)C(=O)N1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 1522440830 GUOOGZUOGHRFNN-VIFPVBQESA-N 318.337 -0.772 30 20 DBED Cc1ccn2c(=O)cc(Cn3c(=O)[nH]cc(C#N)c3=O)nc2c1 1559428562 MROFMCGPIWHGIS-UHFFFAOYSA-N 309.285 -0.227 30 20 DBED C=CCNC(=O)CN[C@@H](C)CCNC(=O)[C@]1(C)CCNC(=O)C1 1570461099 JPQQAWHLSLRMFQ-BLLLJJGKSA-N 324.425 -0.311 30 20 DBED N#Cc1ccc(NC(=O)C2(n3cnnn3)CC2)cc1-c1nn[nH]n1 1570930186 FQABFADOJHQABT-UHFFFAOYSA-N 322.292 -0.147 30 20 DBED N#C[C@]12CN(Cc3cc(C(=O)O)n[nH]3)C[C@H]1CS(=O)(=O)C2 1574242516 YRRGUVAGDUGQMX-QPUJVOFHSA-N 310.335 -0.522 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)CC(F)(F)CN)CC1 1574706281 AXHJTLPNHDVWSB-UHFFFAOYSA-N 316.352 -0.746 30 20 DBED N#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCOCc1cnn[nH]1 1577706478 IDWZPPBBUQZTBP-UPJWGTAASA-N 304.354 -0.044 30 20 DBED N#Cc1cn(CCC(=O)N2CC[C@H]3CNC[C@H]32)c(=O)nc1O 1580081236 YFAKJQXAYFQCDY-GXSJLCMTSA-N 303.322 -0.969 30 20 DBED N#Cc1nc(N2CC[C@H](c3cc(O)n[nH]3)C2)cnc1-c1nn[nH]n1 1581879479 MVFJSVYQCHOYJJ-ZETCQYMHSA-N 324.308 -0.049 30 20 DBED C#CC[C@@H](NC(=O)c1ccc(-c2nn[nH]n2)nc1)C(=O)OC 1588334352 UQBDHCKKBOYOFX-SNVBAGLBSA-N 300.278 -0.444 30 20 DBED CC(=O)NCCN(CC(=O)NC1(C#N)CCC1)[C@H](C)C(=O)O 1588513492 OCNZUMZDBZAMPM-SNVBAGLBSA-N 310.354 -0.540 30 20 DBED C=C(CCC(=O)O)C(=O)NC[C@@]12COCCN1C(=O)COC2 1588624646 RCNYGBLUHRRPKC-AWEZNQCLSA-N 312.322 -0.849 30 20 DBED C=C[C@H](C(=O)O)N1CCN(S(=O)(=O)CCCOC)CC1 1588669233 GQJZCRINBNEDSY-LLVKDONJSA-N 306.384 -0.391 30 20 DBED C=CC[C@@H](OC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)C(=O)O 1588754258 WGFGBXMMOVCPSR-VQCYPWCPSA-N 308.290 -0.330 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)Nc2cncc(C(=O)O)c2)CCO1 1594606160 RDADLXJVBCMSBF-SNVBAGLBSA-N 304.262 -0.531 30 20 DBED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CC(C(=O)O)C2)cc1 1594625684 SYZLJSVYZWXUKD-UHFFFAOYSA-N 323.330 -0.620 30 20 DBED C[C@H](NC(=O)[C@H](C)NC(=O)N1CC[C@](F)(C#N)C1)C(=O)O 1599897790 NKQJNEAHWJEAMJ-UBJUHAIHSA-N 300.290 -0.389 30 20 DBED N#CC1(CS(=O)(=O)N2CCC[C@@H]2C(=O)NCC(=O)O)CC1 1601057568 CFELCJXSUDGXNO-SECBINFHSA-N 315.351 -0.715 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)c1cccc(-c2nn[nH]n2)n1 1609021276 NVZYYGBTNAKIGA-QMMMGPOBSA-N 300.278 -0.444 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)c1ccnc(C(=O)O)c1 1609399062 YXCIBHPYQRVJIO-UHFFFAOYSA-N 307.262 -0.052 30 20 DBED C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1c(C(=O)O)cnn1C 1609487487 UOZNYDASBHLNRY-WPRPVWTQSA-N 322.321 -0.236 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H]1CCCN(CCS(C)(=O)=O)C1 1732091396 LPWGGZGXHGRIBS-STQMWFEESA-N 316.423 -0.350 30 20 DBED C=CCNC(=O)CN[C@H](CNC(=O)c1n[nH]c(C)c1O)C1CC1 1752455410 YBBACLGAQWOYDI-LLVKDONJSA-N 321.381 -0.176 30 20 DBED C[C@H](CNC(=O)c1cnc(C2CC2)nc1)NCC(=O)NCC#N 1752904867 ZCYDHADKOURUPV-SNVBAGLBSA-N 316.365 -0.298 30 20 DBED C=CCNC(=O)CN(CCNC(=O)[C@H]1CCCC(=O)N1)C1CC1 1753155096 AQTZKBVNYMGPBB-CYBMUJFWSA-N 322.409 -0.462 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@H](O)CNCc1cnc(C)nc1 1753910432 WSUIRBJZAJWMCJ-HIFRSBDPSA-N 308.382 -0.321 30 20 DBED C#CCNC[C@@H](NC(=O)CCC(=O)N1CCOCC1)C1CC1 1754458522 DANDGWUAJDKRTA-CQSZACIVSA-N 307.394 -0.257 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@@H]1CNC(=O)C1(COC)CC1 1754488901 MFRAQAHXNMKHLU-CHWSQXEVSA-N 307.394 -0.259 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C1CN(Cc2nc(COC)no2)C1 1754574948 KBUVOFMTMLJWQR-LLVKDONJSA-N 322.365 -0.103 30 20 DBED C#CCN(C(=O)c1ncn(C)n1)C1CCN(C[C@@H](C)O)CC1 1754636722 XLZFTZQAWAJKSJ-GFCCVEGCSA-N 305.382 -0.264 30 20 DBED C=CCOCCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CNC(=O)N1 1754868559 OYCQGTCOYXDTSP-HZSPNIEDSA-N 322.409 -0.064 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)CS(C)(=O)=O)C[C@H]1C 1755157401 IAAYXYBYBAMSNN-CHWSQXEVSA-N 316.423 -0.350 30 20 DBED CC#CCN1CC(CCO)(NC(=O)c2cnc(N(C)C)cn2)C1 1755334374 XXJDSXPUWJQUHA-UHFFFAOYSA-N 317.393 -0.268 30 20 DBED C=CCN(CC=C)C(=O)CN1C[C@H]2CC[C@H]1CN2C(=O)C(N)=O 1755397405 DNAYTUDTFJQEOG-QWHCGFSZSA-N 320.393 -0.653 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(CNC(=O)C#CC(C)C)[C@H]2C1 1755419331 DSTHPAKDCXNSPK-HUUCEWRRSA-N 301.390 -0.311 30 20 DBED C#CCCN[C@@H](CO)CNC(=O)c1cc2c(nc1O)CCOC2 1755643339 JQUVKJVECTWNAL-GFCCVEGCSA-N 319.361 -0.437 30 20 DBED COCC#CCN(C)C[C@@H](O)CN(C)C(=O)[C@@H](C)n1cncn1 1755799248 KEYUNPWAZUAKQX-ZIAGYGMSSA-N 323.397 -0.760 30 20 DBED C#CCCCCC(=O)NC[C@@H](CO)NC(=O)[C@H]1CCN(C)C1 1756514014 QVOIFNJKSUCCLW-KBPBESRZSA-N 309.410 -0.275 30 20 DBED C#CCCCC(=O)NC[C@@H]1CC[C@H](NC(=O)Cn2ncnn2)C1 1756642325 SIBLIKGOXXDHAS-OLZOCXBDSA-N 318.381 -0.122 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H](O)CN(C)C(=O)c1[nH]ccc1C 1756660884 OFGUIFBRHBWBDU-CHWSQXEVSA-N 321.377 -0.089 30 20 DBED C[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)CC[C@H]1CNC(=O)C(N)=O 1756938618 ARIJRTHTCAGVIA-UWVGGRQHSA-N 317.349 -0.414 30 20 DBED N#CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CNC(=O)O1 1793646960 XTSRCYYFSMJLDG-VLEAKVRGSA-N 306.322 -0.353 30 20 DBED CC(=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)S)C2 1795065214 AAOILMMABAKEBT-CHWFTXMASA-N 300.380 -0.517 30 20 DBED C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCn1cncn1 1802811616 ZOIOKGCOUKRLCF-CLLJXQQHSA-N 301.350 -0.060 30 20 DBED Cn1nc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CC#N)cc1O 1848328511 FLCRTMDSIRNBNM-QWRGUYRKSA-N 303.322 -0.145 30 20 DBED C[C@@H](CO[C@@H]1CCOC1)Nc1c(C#N)c(=O)n(C)c(=O)n1C 133843759 QWSARUSUUCJDNS-VHSXEESVSA-N 308.338 -0.438 30 20 DBED C[C@@H](O)C(=O)N1CCN([C@H](C(N)=O)c2ccc(C#N)cc2)CC1 153002229 RRHMXNFITGDHCE-RISCZKNCSA-N 316.361 -0.390 30 20 DBED C=CCN(CCOC)CC(=O)c1c(N)n(CC)c(=O)[nH]c1=O 191095807 YWXBWUVNTRTQNZ-UHFFFAOYSA-N 310.354 -0.544 30 20 DBED C/N=C(/NCc1noc(C)n1)N1CCN(C(C)(C)C(N)=O)CC1 261626243 BVUSANZFGVNFGU-UHFFFAOYSA-N 323.401 -0.665 30 20 DBED CC/N=C(/NC[C@@H]1COCCO1)N[C@H]1CCN(C(=O)CC)C1 261971656 MXFVSDMOBSHRAH-QWHCGFSZSA-N 312.414 -0.032 30 20 DBED C=C(C)CN/C(N)=N/Cc1ccc(C(=O)NCC(N)=O)cc1 264146064 XXHRTUPSGQHHSE-UHFFFAOYSA-N 303.366 -0.118 30 20 DBED N#Cc1ccc(S(=O)(=O)CCN2CCO[C@H](C(N)=O)C2)cc1 267037605 COUCPUCWNXJHLQ-ZDUSSCGKSA-N 323.374 -0.482 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N1CC[C@@](F)(C(=O)OC)C1 267703312 VBJNOBMIHSHOMY-RNCFNFMXSA-N 301.318 -0.026 30 20 DBED N#Cc1ccnc(N2CCN(C(=O)[C@@H]3CNCCO3)CC2)c1 269109428 MWASEYKVAZEUEA-ZDUSSCGKSA-N 301.350 -0.410 30 20 DBED N#CCOc1cccc(CC(=O)NCCN2CCNC(=O)C2)c1 272650374 DWTUNAGAIIMZHY-UHFFFAOYSA-N 316.361 -0.321 30 20 DBED C=CCS(=O)(=O)CCNC(=O)NCC(=O)N1CCCCC1 272825487 JPYMVWROEKVXME-UHFFFAOYSA-N 317.411 -0.101 30 20 DBED N#Cc1ccc(C[C@H](C#N)C(=O)NCC(=O)NCCO)cc1 281524002 JHBRAZMUIVQTKG-CYBMUJFWSA-N 300.318 -0.535 30 20 DBED CC[C@](C)(C#N)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 285338096 OYXOXRJQQIBZIW-CYBMUJFWSA-N 305.342 -0.716 30 20 DBED N#Cc1ccc(CS(=O)(=O)NC[C@H]2CN3CCN2CC3)cc1 289298128 ZBTWOTZGINUMTO-HNNXBMFYSA-N 320.418 -0.023 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1CCC[C@@H](c2n[nH]c(=O)o2)C1 295138792 DIFQKLKBWHAKFP-VHSXEESVSA-N 323.353 -0.057 30 20 DBED CS(=O)(=O)N1CC[C@@H](C/N=C(/O)N[C@@H]2CCCOC2)C1 329621853 FSAVNYJGTHTGPI-WDEREUQCSA-N 305.400 -0.050 30 20 DBED CN(C)C[C@H]1CN(/C(O)=N/CCCS(C)(=O)=O)CCO1 330862395 XHWHHRGHALFSFB-NSHDSACASA-N 307.416 -0.403 30 20 DBED O=C(CCN1CCO[C@H](CO)C1)N/C(O)=N/CC(F)(F)F 331223880 DKWVXCFSJDFWHK-QMMMGPOBSA-N 313.276 -0.338 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N2CCOC[C@H]2C2CC2)CCO1 336887385 GYVLMUWVKZXHOH-NEPJUHHUSA-N 301.368 -0.434 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@@H](COC)C(=O)OC 336893693 LKFDYRPTVQEGPI-UWVGGRQHSA-N 307.372 -0.510 30 20 DBED COCCN(CCC#N)S(=O)(=O)N(C)C[C@@H](C)C(=O)OC 336916396 MLGVLTNTDAUFKR-LLVKDONJSA-N 321.399 -0.166 30 20 DBED CN(CCC(N)=O)S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N 352502170 ZQMKCVJWWKFCEJ-UHFFFAOYSA-N 312.307 -0.038 30 20 DBED Cc1ccc(C(=O)NC[C@H](C)O)cc1S(=O)(=O)NCC#N 352694583 XRHUMGNWGIBSHO-JTQLQIEISA-N 311.363 -0.093 30 20 DBED C=C[C@H](CO)NC(=O)N[C@H]1CCCN(S(=O)(=O)N(C)C)C1 359659589 RWXPIZCXAKWVAR-MNOVXSKESA-N 320.415 -0.897 30 20 DBED C[C@H]1CN(S(=O)(=O)N(C)CCC#N)C[C@]2(CCOC2)O1 408340042 MYJPQUGBVRXJAX-RYUDHWBXSA-N 303.384 -0.044 30 20 DBED CCN1CCN(C(=O)C(=O)N2CCC(C#N)CC2)[C@H](C)C1=O 410715168 OHHMXWIRALVJFU-LLVKDONJSA-N 306.366 -0.172 30 20 DBED C=C(CC)CNC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CCN 418890763 SGRBBXBRSJVSOA-CYBMUJFWSA-N 324.425 -0.085 30 20 DBED C#C[C@H](C)N(C)C(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C 491565950 DDMRMKNNADNVMH-VIFPVBQESA-N 302.334 -0.331 30 20 DBED C#CCNC(=O)C1CCN([C@H](C)C(=O)NCCCOC)CC1 491660386 JQHWDCSUMPWMTL-CYBMUJFWSA-N 309.410 -0.011 30 20 DBED Cc1nn(C)c2ncc(S(=O)(=O)N3CC(O)(CC#N)C3)cc12 527385372 ORRFXSPNFTYPMT-UHFFFAOYSA-N 321.362 -0.074 30 20 DBED C=CC[C@@H](CO)CNC(=O)Nc1ncn(CC(=O)N(C)C)n1 539256723 WUAJMNWZBFJCNN-SNVBAGLBSA-N 310.358 -0.328 30 20 DBED C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)N1CCC[C@H]1C(=O)O 581068687 GNCCOLIEHRDCNX-DCAQKATOSA-N 304.368 -0.039 30 20 DBED C[C@@]1(C#N)CCCN(C(=O)NCCOCCS(N)(=O)=O)C1 596622824 IVYRCNHIZREYIH-LBPRGKRZSA-N 318.399 -0.373 30 20 DBED C[C@H](O)[C@@H]1CCN(C(=O)C(=O)N2CCN(CCC#N)CC2)C1 601460119 NFGZAAMGXVKFHA-QWHCGFSZSA-N 308.382 -0.726 30 20 DBED COCCN1CC[C@@H](NC(=O)N2CCN(CCC#N)CC2)C1 601573428 BIDWDXXTWLTPPN-CQSZACIVSA-N 309.414 -0.052 30 20 DBED C[C@]1(C#N)CCCN(C(=O)Cn2cc(S(N)(=O)=O)cn2)C1 612232264 CHCRXXKLDQVESM-GFCCVEGCSA-N 311.367 -0.317 30 20 DBED CCOC1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)CC1 619708236 SEVJUQXTUGXFMV-GFCCVEGCSA-N 303.384 -0.044 30 20 DBED CS(=O)(=O)NC1CC(NC(=O)N2CC[C@@](F)(C#N)C2)C1 619763459 VBZPPTAJINHWQE-NWGYLPEXSA-N 304.347 -0.286 30 20 DBED C#Cc1ccc(C(=O)OCC(=O)NCC(=O)N2CCCC2)cn1 729029834 JOXFZWGZQKGBSN-UHFFFAOYSA-N 315.329 -0.042 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@H](NC(=O)O)C(C)C)CC1 736080295 SGAQMGCVVMGFNX-CYBMUJFWSA-N 324.381 -0.828 30 20 DBED C=C(Cl)CNC(=O)CNS(=O)(=O)c1cn(C)c(C)n1 736238524 LMIDLPOSZVSCBF-UHFFFAOYSA-N 306.775 -0.124 30 20 DBED N#Cc1nc(NC(=O)CCN2CCOCC2)[nH]c1-c1nn[nH]n1 737705263 MYANCAHKXSZEER-UHFFFAOYSA-N 317.313 -0.878 30 20 DBED C#CCCCNC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C 742789107 WHKJPSYAJWHGOD-UHFFFAOYSA-N 302.334 -0.281 30 20 DBED CCN1CCN(c2cccc(S(N)(=O)=O)c2C#N)CC1=O 755020622 SWJCVRVHGVGKNZ-UHFFFAOYSA-N 308.363 -0.126 30 20 DBED C[C@@H]1CN=C(N2CCN(C(=O)Cn3cnc(C#N)n3)CC2)S1 769239350 UXDRFXXIXWBUEO-SNVBAGLBSA-N 319.394 -0.215 30 20 DBED C#CCOCCNC(=O)N1CCN([C@@H](C)C(=O)NC2CC2)CC1 784548076 BPSAFVZCTXMTMK-ZDUSSCGKSA-N 322.409 -0.370 30 20 DBED C#CCOCCNC(=O)CCn1nnc2ccccc2c1=O 784607198 QCNJSFAJTVAMIW-UHFFFAOYSA-N 300.318 -0.052 30 20 DBED N#Cc1cc(C(=O)OCC(=O)N2CCCC[C@H]2C(N)=O)c[nH]1 786900510 PIPYWNKSYOSSEH-NSHDSACASA-N 304.306 -0.090 30 20 DBED N#Cc1ccc(NCCN2C(=O)[C@@H]3C[C@@H](O)CN3C2=O)nc1 794778873 CAIANQRTTFKZAA-MNOVXSKESA-N 301.306 -0.237 30 20 DBED CCN(CCC#N)S(=O)(=O)NN1C(=O)N[C@](C)(CC)C1=O 808309518 LQYXZEUOWZJFGK-LLVKDONJSA-N 317.371 -0.308 30 20 DBED C#CC[C@H](CO)NC(=O)CCn1c(=O)nc(O)c2ccccc21 816672922 NIECXZOPYNGBPC-LLVKDONJSA-N 315.329 -0.007 30 20 DBED CS(=O)(=O)CCNN=Cc1cc(-c2nn[nH]n2)cs1 821926874 NRRITHHTVWCXSU-UHFFFAOYSA-N 300.369 -0.104 30 20 DBED C=CCNC(=O)CNC(=O)Nc1nn(C)cc1-c1nn[nH]n1 823919458 GKJCPFRZJRKASM-UHFFFAOYSA-N 305.302 -0.976 30 20 DBED C#CCN(CC(=O)O)S(=O)(=O)c1cnn(CCOC)c1 849219238 NNGFXRGUJJBGGU-UHFFFAOYSA-N 301.324 -0.762 30 20 DBED N#CCOc1cccc(CC(=O)NN2CCS(=O)(=O)CC2)c1 862734673 MTCNXNKTIOIMSK-UHFFFAOYSA-N 323.374 -0.107 30 20 DBED C#CCNC(=O)CCN1CCc2c(cccc2S(N)(=O)=O)C1 879677798 NTWWWAWHKAPOKU-UHFFFAOYSA-N 321.402 -0.168 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)NCCC#CC)CC1 894271050 AYZFJWDZZWGHEJ-UHFFFAOYSA-N 312.395 -0.805 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)O[C@@H]2CCOC2)CC1 914129961 IQAVHIWDRUJVHM-CYBMUJFWSA-N 309.366 -0.331 30 20 DBED CN(C)C(=O)CNC(=S)NN=C1C(=O)Nc2ccccc21 918715514 BGEKRRIKXDDBGN-UHFFFAOYSA-N 305.363 -0.105 30 20 DBED CN1CCC(CNC(=O)NCC#CCO)(N2CCOCC2)CC1 923767921 LFRNHELIHSQJTO-UHFFFAOYSA-N 324.425 -0.922 30 20 DBED C[C@H](C#N)C(=O)N1CCCN(C(=O)CN2CCOCC2)CC1 940796545 PHPGMAOATWWDMQ-CYBMUJFWSA-N 308.382 -0.461 30 20 DBED C[C@@H](C#N)C(=O)N1CCCN(C(=O)[C@@H]2CCN(C)C2=O)CC1 941983240 GJRIGKDHTCTMMM-NWDGAFQWSA-N 306.366 -0.315 30 20 DBED C=CC(C)(C)C(=O)N1CCO[C@@H](CNC(=O)c2cn(C)nn2)C1 944574530 SGQCKTQKVITNHR-NSHDSACASA-N 321.381 -0.016 30 20 DBED CCN(C(=O)[C@H]1CCc2nnc(O)n2C1)C1CN(CC#N)C1 950653061 CUOSDCBLAOOJGM-JTQLQIEISA-N 304.354 -0.398 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]1CNC(=O)c1ccnc2[nH]nnc12 951326316 LUHSPUCKRUXAKF-BDAKNGLRSA-N 313.321 -0.157 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H](NC(=O)c2nnc(O)nc2O)C1 951868295 RVTRIURZPZBRPG-JGVFFNPUSA-N 320.309 -0.837 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](C2CCN(C(=O)C(N)=O)CC2)C1 952305631 VAXRRXCDBWKSJV-PWSUYJOCSA-N 306.366 -0.282 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CCC[C@H](C1)N2C(=O)Cn1ncnn1 952784114 BQRYBUXCPWQMPF-SDDRHHMPSA-N 317.353 -0.575 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@@H]2CN(Cc3cnon3)C[C@@H]2O)c1 957957609 NWTXHEPLRBRIKH-MFKMUULPSA-N 316.321 -0.508 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C 958350744 HDDXDOGSTBGPHC-KXNHARMFSA-N 309.366 -0.584 30 20 DBED C=CCN1C[C@H](O)[C@H](CNC(=O)c2cccn3c(O)nnc23)C1 958587313 HZBHGKCYLZNBBQ-PWSUYJOCSA-N 317.349 -0.357 30 20 DBED NC(=O)CC(=O)N1CCC[C@H]2[C@@H]1CCN2C(=O)C#CC1CC1 962885292 SYLORMOPPMBTHQ-STQMWFEESA-N 303.362 -0.133 30 20 DBED C[C@H](C#N)C(=O)N1CC2(C[C@@H](NC(=O)c3cocn3)CO2)C1 965643141 HPSCUHDICPPFDW-NXEZZACHSA-N 304.306 -0.066 30 20 DBED C=C[C@@](C)(CC)C(=O)N1CC2(C[C@H](NC(=O)C(N)=O)CO2)C1 965793274 ZJOFCFJGYXFSGM-HZMBPMFUSA-N 309.366 -0.440 30 20 DBED C[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1NC(=O)Cc1nc[nH]n1 966406149 DMHHNENOJICCEH-JQWIXIFHSA-N 301.350 -0.276 30 20 DBED N#Cc1cc(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3COCCO3)C2)c[nH]1 973031199 LDJSZWQEEVFQAE-GVXVVHGQSA-N 318.333 -0.321 30 20 DBED CC#CCN1CCCN(C(=O)c2cn(C)c(=O)n(C)c2=O)CC1 982066768 MWOTYAMLJNJIAC-UHFFFAOYSA-N 318.377 -0.745 30 20 DBED C[C@@H]1[C@H](NCC#N)CCN1C(=O)Cn1nc2ccccn2c1=O 986626669 YIXADGNZXIMIJM-VXGBXAGGSA-N 314.349 -0.401 30 20 DBED C[C@@H](C#N)C(=O)N1CCCCC[C@@H](NC(=O)Cn2ncnn2)C1 987128594 HHEOJKMQRKUWCA-NWDGAFQWSA-N 319.369 -0.280 30 20 DBED C[C@@H]1[C@H](NCC#N)CCN1C(=O)c1cc(=O)n2[nH]cnc2n1 987357204 YQDSTZZTELQLCM-RKDXNWHRSA-N 301.310 -0.866 30 20 DBED CN(C[C@H]1CCN(C(=O)C(N)=O)C1)C(=O)c1ccc(C#N)[nH]1 988277980 CEGWVTMNNZKZFM-SECBINFHSA-N 303.322 -0.708 30 20 DBED C#CCCN1CCC[C@@H](NC(=O)CN2CCNC(=O)C2)[C@@H]1C 993702518 PJVUWHJHEWNMLE-UONOGXRCSA-N 306.410 -0.589 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)[C@H]3CCC(=O)N3)C2)cn1 997090823 RJWRKTBPWPJJTB-CYBMUJFWSA-N 312.329 -0.718 30 20 DBED C=CCn1cc(C(=O)N[C@H](C)C2CCN(CC(N)=O)CC2)nn1 997335933 CGSXHEMXNGFDCR-LLVKDONJSA-N 320.397 -0.220 30 20 DBED C#CCN[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 999144211 JZBOZRYXGRCGIE-STQMWFEESA-N 315.377 -0.024 30 20 DBED C[C@@H](NC(=O)c1cnn[nH]1)C1CN(C(=O)c2ccc(C#N)[nH]2)C1 1006398976 KQNDVEYEGHIWGT-MRVPVSSYSA-N 313.321 -0.105 30 20 DBED C=CC(C)(C)C(=O)N1CCN(C(=O)C[C@@H]2CC(=O)NC2=O)CC1 1011471117 VFWMLZAFQSRJKS-NSHDSACASA-N 321.377 -0.078 30 20 DBED C#Cc1ccc(C(=O)NC2[C@H]3CN(C(=O)c4cnn[nH]4)C[C@H]23)nc1 1013514775 ZGVSPRSHWYWAFX-QWRGUYRKSA-N 322.328 -0.319 30 20 DBED C=CCCN1CCN(C(=O)[C@H]2CCCN(C(=O)C(N)=O)C2)CC1 1018371282 FKPDPIFJPWAILG-ZDUSSCGKSA-N 322.409 -0.569 30 20 DBED NC(=O)C1(C(=O)N2CCC3(CN(C(=O)C#CC4CC4)C3)C2)CC1 1019010199 IOTFFUKKISBRPS-UHFFFAOYSA-N 315.373 -0.274 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(C1)CN(C(=O)[C@]1(C)CCC(=O)N1)C2 1019399555 SOKDZDZRXYMBEY-NHYWBVRUSA-N 318.377 -0.124 30 20 DBED COc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2O)o1 1025281604 RLYXHACOFDKVMR-OPRDCNLKSA-N 307.306 -0.251 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@@H]3COCCO3)C[C@H]2O)C1 1025523865 HJQKZSOHCOLNML-UPJWGTAASA-N 324.377 -0.554 30 20 DBED C#CCN[C@@H]1CC[C@H]2CN(C(=O)CN3CC(=O)N(C)C3=O)C[C@@H]21 1026396466 DTHLJHOEXFXQLC-RWMBFGLXSA-N 318.377 -0.660 30 20 DBED Cn1nnc2c1C[C@@H](C(=O)NC[C@H]1CCN(CC#N)C1)CC2 1028764575 JUDJLVNDGPGUFK-NEPJUHHUSA-N 302.382 -0.118 30 20 DBED N#Cc1ccc(CN2CC(NC(=O)[C@@H]3CNC(=O)N3)C2)cc1F 1030878952 ZWUYAUTWOYQFPM-ZDUSSCGKSA-N 317.324 -0.321 30 20 DBED C#Cc1cncc(C(=O)NC2CN([C@H]3CCC(=O)NC3=O)C2)c1 1030928377 POHLUSMYFARXAV-ZDUSSCGKSA-N 312.329 -0.718 30 20 DBED C=CCCN1CC(NC(=O)c2cn(CC(=O)N(C)C)nn2)C1 1031438431 FMMWSLVDTMPYJL-UHFFFAOYSA-N 306.370 -0.644 30 20 DBED CC#CCN1CC[C@H](N(C)C(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 1033288108 BOKMQEMEPTWVCN-JSGCOSHPSA-N 315.377 -0.079 30 20 DBED CC(=O)N1CCOC[C@H]1C(=O)N[C@@H]1CCCCN(CC#N)C1 1034533200 SOFCHKWASLYKJD-KGLIPLIRSA-N 308.382 -0.272 30 20 DBED CC#CCN1CCO[C@H](CNC(=O)[C@H]2CCS(=O)(=O)C2)C1 1035437768 IEVCUTPWRGBQMS-QWHCGFSZSA-N 314.407 -0.739 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)c2ccn3nnnc3c2)C1 1035473976 YUPRZNUBCFNGEF-LBPRGKRZSA-N 300.322 -0.812 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2CN([C@H](C)C(N)=O)CCO2)nc1 1035583188 MUOLBUHHBCHKOV-YPMHNXCESA-N 316.361 -0.633 30 20 DBED C=CCN[C@@H]1CCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)C[C@H]1C 1036205827 YBZMPZNNZBFGCM-GHMZBOCLSA-N 322.365 -0.580 30 20 DBED C#CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1cnn(CCN(C)C)c1 1037619309 HRELOJBSVZCZHV-VHDGCEQUSA-N 301.394 -0.120 30 20 DBED C#CCN1CCC(C(=O)NC[C@@H]2CCN2[C@@H](C)C(N)=O)CC1 1039041846 HQYZMKPMVCLJAE-JSGCOSHPSA-N 306.410 -0.604 30 20 DBED C=CCCCC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2CCNC2=O)C1 1040730625 ZRQCCBAOUKLYES-WBMJQRKESA-N 323.393 -0.442 30 20 DBED COCCCC(=O)NCC1(O)CN(C(=O)c2c[nH]c(C#N)c2)C1 1041673109 NXLVLJZMJUZHEL-UHFFFAOYSA-N 320.349 -0.384 30 20 DBED N#Cc1cc(C(=O)N2CC(O)(CNC(=O)[C@H]3CCOC3)C2)c[nH]1 1041874296 QDFYZKAPNJXOCU-JTQLQIEISA-N 318.333 -0.774 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)c2nn(CC)nc2C)C1 1041973396 YIRQENRWTGERSR-UHFFFAOYSA-N 321.381 -0.124 30 20 DBED Cc1cc(C(=O)N2CC(O)(CNC(=O)C#CC3CC3)C2)on1 1042958909 OZGCBGFYBQXIHY-UHFFFAOYSA-N 303.318 -0.300 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)c2ccncc2)C1 1043032845 JXHPIMXVCFXOPF-UHFFFAOYSA-N 317.345 -0.575 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)c2ccns2)C1 1043330350 NQBSIZWQCSABEV-SNVBAGLBSA-N 323.374 -0.516 30 20 DBED Cc1nonc1C(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1043717969 USCUFPROVQVIBN-UHFFFAOYSA-N 304.306 -0.905 30 20 DBED COC1CC(C(=O)N[C@@H]2CN(c3cncc(C#N)n3)C[C@@H]2O)C1 1044267032 JIGDMEXXMNJCHL-BVIDSFGJSA-N 317.349 -0.561 30 20 DBED CN(C(=O)c1ccc(C(N)=O)cc1)[C@H]1CN(CC#N)C[C@@H]1O 1047623781 PSFUQUJFPTYWGC-STQMWFEESA-N 302.334 -0.574 30 20 DBED CC(C)C#CC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CCOC2)C[C@@H]1O 1048810724 FPEAYPNGPDDHLY-RDBSUJKOSA-N 308.378 -0.288 30 20 DBED C#CCO[C@H](C)C(=O)N(C)[C@H]1CN(C(=O)c2cocn2)C[C@@H]1O 1048852315 KNPUWMSPNZPHLH-WXHSDQCUSA-N 321.333 -0.643 30 20 DBED C=CCCOCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)C#N)C1 1049407981 NIHGNUQCGFAZCU-AGIUHOORSA-N 309.366 -0.231 30 20 DBED C[C@@H]1[C@@H](NC(=O)[C@H]2CCC(=O)N2)CCN1c1nccnc1C#N 1050096468 VGABRPQAAKBGOM-OUAUKWLOSA-N 314.349 -0.290 30 20 DBED C[C@@H](NC(=O)Cn1ncnn1)[C@H]1CCN(C(=O)C#CC2CC2)C1 1050671882 FTPQQTCOYHRICH-YPMHNXCESA-N 316.365 -0.560 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)[C@@H]1CCCCS1(=O)=O 1050953529 GTDNPPALGFAMJX-OLZOCXBDSA-N 314.407 -0.596 30 20 DBED C#CCCN1CCOC[C@@H]1CNC(=O)c1cc2n(n1)CCO2 1050954915 COLHCCTWZZWPOJ-LBPRGKRZSA-N 304.350 -0.271 30 20 DBED C=CCOCC(=O)N[C@H](C)[C@H]1CCN(C(=O)c2nc[nH]n2)C1 1051337941 QRDWFNDHCHQXJB-MNOVXSKESA-N 307.354 -0.026 30 20 DBED CN1CCC[C@@H]1C(=O)N1CC[C@H](N2CCN(CC#N)CC2)C1 1051996322 MFLNLYBYMFAWHQ-LSDHHAIUSA-N 305.426 -0.177 30 20 DBED C#CCN1CCN([C@H]2CCN(C(=O)[C@@H]3CCC(=O)NC3)C2)CC1 1052048264 PORYRRXTIBZICO-CABCVRRESA-N 318.421 -0.636 30 20 DBED N#CCN1CCN([C@@H]2CCN(C(=O)Cc3cnoc3)C2)CC1 1052067300 INHUUDNICDSEJY-CQSZACIVSA-N 303.366 -0.041 30 20 DBED C=CCN1CCC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)CC1 1052954816 TVEYJQIHSNDOHW-LLVKDONJSA-N 306.370 -0.466 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)[C@@H](OC)[C@@H]1CCOC1)CCO2 1053355328 BMSLCLBDEAPPJV-CABCVRRESA-N 322.405 -0.026 30 20 DBED N#CCN1CC2(CC[C@H](CNC(=O)[C@@H]3CCNC(=O)C3)O2)C1 1053590129 ADZPKKMRRBBCTN-VXGBXAGGSA-N 306.366 -0.614 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)c3cnc4nccn4c3)CO2)C1 1053870178 DUJXRYYDAJSVNH-ZDUSSCGKSA-N 311.345 -0.064 30 20 DBED C=C(C)CCN1CC2(C[C@@H](NC(=O)[C@@H]3CNC(=O)N3)CO2)C1 1053911148 YCYLGIXSJAOWID-NEPJUHHUSA-N 308.382 -0.407 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)c3cc4ncccn4n3)CO2)C1 1053962811 AJYPMZCKQZCECD-NSHDSACASA-N 312.333 -0.174 30 20 DBED C[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1NCc1nnnn1C 1054559624 LCEHGLZLOMLFKA-JOYOIKCWSA-N 314.353 -0.340 30 20 DBED CN1C[C@H](C(=O)N2CCN(c3cncc(C#N)n3)CC2)CC1=O 1056057489 YVQVVGKHTHKZAB-LLVKDONJSA-N 314.349 -0.525 30 20 DBED N#Cc1ccc(N2C[C@H]3[C@H](NC(=O)C45CCN(CC4)C5)[C@H]3C2)nn1 1056268765 WWPNSRWNXDFKHK-NHAGDIPZSA-N 324.388 -0.005 30 20 DBED CN(c1ccc(C#N)nn1)[C@@H]1CCN(C(=O)Cn2cncn2)C1 1056919766 HCIDQSPNUQJHBT-GFCCVEGCSA-N 312.337 -0.323 30 20 DBED C=CCCOCC(=O)NCCN(CCO)C(=O)c1ccnn1C 1057153915 MFBYBUUCYLFGIB-UHFFFAOYSA-N 324.381 -0.437 30 20 DBED CC[C@H](OC)C(=O)NCCN(CCO)C(=O)c1ccc(C#N)[nH]1 1057366748 DPLQDUBQTACDFJ-ZDUSSCGKSA-N 322.365 -0.138 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)[C@@H]1CCC(=O)NC1 1058052738 WNJCQPQYNJHVFZ-GFCCVEGCSA-N 311.382 -0.584 30 20 DBED N#Cc1ccc(N2CCC[C@@H](NC(=O)Cn3cncn3)C2)nn1 1058160282 OOIIBCIGWVZHLU-GFCCVEGCSA-N 312.337 -0.275 30 20 DBED C=CC(C)(C)C(=O)N(CCO)CCNC(=O)[C@@H](C)CC(N)=O 1058305711 DYMZRXVDZQYZFL-NSHDSACASA-N 313.398 -0.353 30 20 DBED N#Cc1nccc(N2CC[C@H](NC(=O)C[C@H]3COC(=O)C3)C2)n1 1058326286 RIAWOAKYEOVTQN-MNOVXSKESA-N 315.333 -0.004 30 20 DBED N#Cc1nccnc1N1CC[C@H](NC(=O)[C@@H]2COC(=O)N2)C1 1058350004 BBWMOZRNKONROX-WPRPVWTQSA-N 302.294 -0.848 30 20 DBED C=C[C@@H](C)[C@@H](C)C(=O)NCCN(CCO)C(=O)c1nnn(C)n1 1058421765 GRTCLCUAQJWQPO-GHMZBOCLSA-N 324.385 -0.781 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)c1coc(C(N)=O)c1 1058660717 GWFCDBFMPODNNI-VIFPVBQESA-N 322.321 -0.911 30 20 DBED N#Cc1nc(=NC[C@@H]2CCN(C(=O)Cn3ccnc3)C2)cc[nH]1 1060887286 CJNRPGNSDKWUAO-LBPRGKRZSA-N 311.349 -0.073 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@H]1COCCN1C(=O)c1cocn1 1061542563 KZQZKNJNNRDFFT-ABAIWWIYSA-N 323.349 -0.041 30 20 DBED C=CC(C)(C)C(=O)NC[C@H]1COCCN1C(=O)c1ncn(C)n1 1061752298 DAIKXJPEWNXKNA-NSHDSACASA-N 321.381 -0.016 30 20 DBED C#CCCCC(=O)N1CCOC[C@H]1CNC(=O)c1nc[nH]n1 1061766522 LPGXODFLVJXUQY-LLVKDONJSA-N 305.338 -0.435 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)CN1CCCC1 1061851024 DRDFEVZKCRBABG-OLZOCXBDSA-N 308.382 -0.415 30 20 DBED C[C@H](Nc1cncc(C#N)n1)C1CCN(C(=O)C(N)=O)CC1 1061874677 HVRBKPNIEBVIGF-VIFPVBQESA-N 302.338 -0.127 30 20 DBED N#Cc1ccc(N2C[C@@H]3C[C@H]2CN3C(=O)CCn2cnnn2)nc1 1062521293 UAYOBHFHLKAZLI-STQMWFEESA-N 324.348 -0.180 30 20 DBED C#CCO[C@H](C)C(=O)NC1(CNC(=O)c2nc[nH]n2)CCC1 1063996724 CEXSTDLXPYWNHL-SNVBAGLBSA-N 305.338 -0.388 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CN(C(=O)c2cccc(O)n2)CCO1 1065016635 RKYHUVDNCRBPTB-QWRGUYRKSA-N 318.333 -0.096 30 20 DBED C=CC(C)(C)C(=O)NC[C@H]1CN(C(=O)c2cn(C)nn2)CCO1 1065113819 QORFGCADCWMLHE-NSHDSACASA-N 321.381 -0.016 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@@H](NC(=O)CCOC)CC1 1065722891 WATIUKXMRDBYKL-CYBMUJFWSA-N 323.393 -0.340 30 20 DBED N#Cc1cnc(N2CCOC[C@H]2CNC(=O)c2ccon2)cn1 1066469005 UEBLVJJXRBVTDP-LLVKDONJSA-N 314.305 -0.029 30 20 DBED Cn1cnc(C(=O)NCC2[C@@H]3CN(c4cnc(C#N)cn4)C[C@@H]23)n1 1068170974 PWWPZKNYPSUTMV-RYUDHWBXSA-N 324.348 -0.411 30 20 DBED C[C@@H](Nc1ncccc1C#N)[C@@H]1CN(C(=O)C(N)=O)CCO1 1068243395 IYPDNXYKBICLKD-KOLCDFICSA-N 303.322 -0.534 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2cnnc(C)c2)C1 1069916211 KEBSAKCEMPZUKE-KGLIPLIRSA-N 311.349 -0.335 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)c2ncc[nH]2)CCOCC1 1070232573 MIIPNAHYZZUOIX-JTQLQIEISA-N 305.338 -0.035 30 20 DBED NC(=O)NCCC(=O)N1CCC[C@@H](NC(=O)C#CC2CC2)C1 1070714586 VTXMCMFHNIIRFB-GFCCVEGCSA-N 306.366 -0.435 30 20 DBED C[C@@](O)(CC(=O)N1CCC(=O)NCCN(CC#N)CC1)C1CC1 1070956297 KPWQZQHQJVNWPU-MRXNPFEDSA-N 322.409 -0.288 30 20 DBED C[C@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1NC(=O)C#CC(C)(C)C 1071556777 MFGINVPELUYQPG-RYUDHWBXSA-N 318.381 -0.314 30 20 DBED C=CCCn1cc(C(=O)N[C@@H]2CC[C@@H](C)N(CC(N)=O)C2)nn1 1071890838 SLCCHGUXPSHQEP-VXGBXAGGSA-N 320.397 -0.078 30 20 DBED C#CCOCCC(=O)N1C[C@H](C)[C@@H](NC(=O)Cn2ccnc2)C1 1072094604 UXWVCGYBIBGRAP-KBPBESRZSA-N 318.377 -0.114 30 20 DBED C=CCCOCC(=O)N1C[C@H](C)[C@H](NC(=O)Cc2nc[nH]n2)C1 1072336328 KDYWWUYJMAGGDW-NWDGAFQWSA-N 321.381 -0.097 30 20 DBED COCCn1cc(C(=O)NC[C@H]2CN(CC#N)CCCO2)cn1 1073874320 YOAVGNMFWJZYHT-AWEZNQCLSA-N 321.381 -0.126 30 20 DBED C=CCCOCC(=O)N[C@H]1CCN(C(=O)CC(N)=O)C[C@@H]1C 1074029512 HIZRRQKZTLTEIO-RYUDHWBXSA-N 311.382 -0.192 30 20 DBED Cn1cnc(C(=O)N2CC[C@@H]3OCCN(CC#N)[C@@H]3C2)cc1=O 1074268816 OROVIMMGODCWNJ-OLZOCXBDSA-N 317.349 -0.781 30 20 DBED C=CCCC(=O)N1CCC(O)(CNC(=O)Cn2cncn2)CC1 1074511770 WDLBYWYNZMZBIL-UHFFFAOYSA-N 321.381 -0.286 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC[C@H](C)NC(=O)CNC(=O)NC 1076308331 BEYYDNWBHSAONG-IINYFYTJSA-N 314.386 -0.747 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3nnc(C)n3C2)C1 1078220088 ZFCJNWKOLRWVJC-BFHYXJOUSA-N 319.409 -0.114 30 20 DBED C#CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)Cn2cncn2)C1 1079776288 FFESUQHIVKSQOX-GFCCVEGCSA-N 319.365 -0.624 30 20 DBED CC[C@H](C(=O)N1CCC(CO)(NC(=O)[C@@H](C)C#N)CC1)N(C)C 1080981975 PXESELAYAGJBLM-QWHCGFSZSA-N 324.425 -0.044 30 20 DBED C=CCOCC(=O)N1C[C@H](CNC(=O)c2cocn2)[C@@H](O)C1 1081341768 UNSQGTVKGIIBRN-JQWIXIFHSA-N 309.322 -0.574 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)Cc2ncc[nH]2)C[C@H]1O 1081343921 JQJBZRQFXJGVTR-NWDGAFQWSA-N 322.365 -0.910 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2ocnc2C)C[C@H]1O 1081347591 XWHIIAYVTFNIRZ-NWDGAFQWSA-N 323.349 -0.265 30 20 DBED Cc1nn[nH]c1C(=O)NC[C@@H]1CN(C(=O)C#CC(C)C)C[C@H]1O 1081637632 OOYPXAWBSMKURT-VXGBXAGGSA-N 319.365 -0.678 30 20 DBED C#CCCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2ncccn2)C1 1081688899 XTQSYISSQRYNFI-CHWSQXEVSA-N 316.361 -0.171 30 20 DBED C=C(C)CN1C[C@@H](NC(=O)CN2CCC(=O)NC2=O)[C@H](OC)C1 1082305626 BMBLMTJQWXMSJA-VXGBXAGGSA-N 324.381 -0.680 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@H]1CCc2nncn2C1 1082382447 FBYYGDHUMNKLFV-QJPTWQEYSA-N 304.354 -0.821 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)[C@H]3CCc4nnc(O)n4C3)[C@@H]2C1 1084463768 DTEUWSYYSDPIMX-FRRDWIJNSA-N 315.377 -0.288 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)c3cc(=O)n4[nH]cnc4n3)[C@@H]2C1 1084773405 OLIQMNBBYRIBSS-ZYHUDNBSSA-N 312.333 -0.803 30 20 DBED C#CCCN1CC[C@@H]1CN(C)C(=O)[C@H]1COCCN1C(C)=O 1085978936 GAYQARQLZUXEIT-HUUCEWRRSA-N 307.394 -0.210 30 20 DBED CC[C@@H]1[C@@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)CCN1CC#N 1087784708 SZNWMUJEHRXHAA-WDEREUQCSA-N 321.381 -0.191 30 20 DBED C=CCN1CC[C@@H]2CN(C(=O)CN3CC(=O)N(C)C3=O)C[C@@H]2C1 1088169141 JNKGOWXHUDKLGK-OLZOCXBDSA-N 320.393 -0.153 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2cn(C)c(C)cc2=O)[C@@H](O)C1 1090341976 MPVPWZSSNPCFBX-HOCLYGCPSA-N 317.389 -0.118 30 20 DBED COCc1nn(C)cc1C(=O)N[C@H]1CCN(CC#N)C[C@@H]1O 1090370825 FUWZCYLEKRQBGN-AAEUAGOBSA-N 307.354 -0.745 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2cc(C(N)=O)co2)[C@H](O)C1 1090566407 LXZXDLJPQPDEOD-NWDGAFQWSA-N 305.334 -0.433 30 20 DBED C=C(C)CCN1CC[C@H](NC(=O)c2ccc(=O)n(C)n2)[C@H](O)C1 1090791543 UFLJUMUHTYCXJE-GXTWGEPZSA-N 320.393 -0.089 30 20 DBED CC(C)(C)C(=O)C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@@H]1O 1091079538 TXAFFFFGNUBFPH-MNOVXSKESA-N 317.349 -0.371 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)c3cncnc3O)c3nccn32)C1 1092375308 KFLYXIJUCBQZJJ-GFCCVEGCSA-N 324.344 -0.102 30 20 DBED C#CCCN1C[C@@H](C)[C@H](CNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 1093011960 UVZYAUMKSIPOCO-UTUOFQBUSA-N 306.366 -0.708 30 20 DBED CC[C@H](NC(C)=O)C(=O)N1CCN(c2nccnc2C#N)CC1 1093197031 UVZLVDCSSIXSAB-LBPRGKRZSA-N 316.365 -0.088 30 20 DBED N#Cc1cnc(NCCNC(=O)CCN2CCCC2=O)cn1 1093660911 KYBACQJWYBDWNJ-UHFFFAOYSA-N 302.338 -0.111 30 20 DBED Cc1cc(C#N)nc(NCCNC(=O)C2CS(=O)(=O)C2)n1 1093910249 ZUAPQCOGJMNVAP-UHFFFAOYSA-N 309.351 -0.771 30 20 DBED N#Cc1nc(=NCCNC(=O)c2cnc3nccn3c2)cc[nH]1 1093990442 DYCOONGUMKHUGM-UHFFFAOYSA-N 308.305 -0.345 30 20 DBED C[C@H]1C[C@@H](C(=O)NCc2cn(C3CN(CC#N)C3)nn2)CO1 1094301815 FVYIUNOPYSFHKU-WDEREUQCSA-N 304.354 -0.300 30 20 DBED C#CCCN1CC(n2cc(CNC(=O)c3cnn[nH]3)nn2)C1 1094303952 LGTTUWSNAZHNSI-UHFFFAOYSA-N 300.326 -0.794 30 20 DBED C[C@@H](C(=O)N1CCN(CC#N)[C@H]2CS(=O)(=O)C[C@H]21)C1CC1 1094619561 MAIHARJFEWCUKR-KGYLQXTDSA-N 311.407 -0.134 30 20 DBED Cc1[nH]ccc1C(=O)N1CCN(CC#N)[C@H]2CS(=O)(=O)C[C@H]21 1094623040 MPATUDXFPRHAFJ-QWHCGFSZSA-N 322.390 -0.230 30 20 DBED N#Cc1c[nH]ccc1=NCCCNC(=O)[C@@H]1CCCNC1=O 1094628215 MFFZBJPUNVNCTB-GFCCVEGCSA-N 301.350 -0.180 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)[C@@]3(F)CCOC3)CC2=O)C1 1094777734 CFCITJQLZYBXQS-XHDPSFHLSA-N 309.341 -0.851 30 20 DBED CN(CCCNC(=O)[C@H]1COCCN1C)c1cncc(C#N)n1 1095522323 MYLIZPJUMFLAPA-CYBMUJFWSA-N 318.381 -0.379 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCS(=O)(=O)C1)N=c1cc[nH]c(C#N)n1 1098137176 WEADXXAEAPYNHQ-UWVGGRQHSA-N 323.378 -0.879 30 20 DBED C#CCN(CCO)C1CCN(C(=O)[C@H]2CCN(C(C)=O)C2)CC1 1098548741 YDPXGHHXRXHMBR-HNNXBMFYSA-N 321.421 -0.227 30 20 DBED C#CCNCc1cn([C@@H]2CCN(C(=O)[C@@H]3COCCO3)C2)nn1 1098622985 URHJRCUOGSRSCI-KGLIPLIRSA-N 319.365 -0.810 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)Cn1cncn1)C[C@@H](C)O2 1098658237 ALMPJWPYMHBJCM-CQSZACIVSA-N 317.393 -0.007 30 20 DBED CNC(=O)NCC(=O)N1C[C@H]2CC[C@H]1[C@H]1CN(CC#N)C[C@H]21 1099488403 IIIDMCXUSBTNTG-NDBYEHHHSA-N 305.382 -0.392 30 20 DBED C[C@@H](CCNC(=O)C1CS(=O)(=O)C1)Nc1cnc(C#N)cn1 1099522235 QNEMGQHZWOWZOS-VIFPVBQESA-N 323.378 -0.300 30 20 DBED C=CCCC(=O)N[C@@H]1CCN(CCN2CCNC2=O)C[C@@H]1O 1099731014 YLLISZSCLAWDJT-OLZOCXBDSA-N 310.398 -0.471 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)c2csnn2)[C@@H](O)C1 1099935633 RNOWDVKEWCLHGO-PWSUYJOCSA-N 312.395 -0.094 30 20 DBED CCNC(=O)NC(C)(C)C(=O)N[C@H]1CCN(CC#N)C[C@H]1O 1100025801 ZJNPNKPOQJOLGC-WDEREUQCSA-N 311.386 -0.841 30 20 DBED Cc1nc(C)n(CCCC(=O)N[C@@H]2CCN(CC#N)C[C@@H]2O)n1 1100071773 JRRQAHFZPPKGBV-KGLIPLIRSA-N 320.397 -0.250 30 20 DBED CN(CCNC(=O)C[C@@H]1CCC(=O)N1C)c1cncc(C#N)n1 1100254016 CYBCSPWQKFKGAA-LBPRGKRZSA-N 316.365 -0.088 30 20 DBED C=CCNC(=O)CNC1CC(CNC(=O)c2ncn(C)n2)C1 1100297740 HDMJJXPRPHNGPO-UHFFFAOYSA-N 306.370 -0.785 30 20 DBED CC(=O)N[C@@H](C)C(=O)NC[C@H]1CCN(c2nccnc2C#N)C1 1100921775 MPQGXTXGOPSHPX-CMPLNLGQSA-N 316.365 -0.185 30 20 DBED CC(=O)N[C@H](C)C(=O)NC[C@H]1CCN(c2nccnc2C#N)C1 1100921778 MPQGXTXGOPSHPX-ZYHUDNBSSA-N 316.365 -0.185 30 20 DBED CN(CCNc1nccnc1C#N)C(=O)CCc1cnn(C)n1 1101969079 ZMYUTCIDKZJPFD-UHFFFAOYSA-N 314.353 -0.020 30 20 DBED C=CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)[C@@H]2CCNC2=O)C1 1102222842 IEIQHDBRAKDGIN-JHJVBQTASA-N 322.409 -0.891 30 20 DBED CC(C)[C@@H](CNC(=O)[C@@H]1CCNC1=O)N=c1cc[nH]c(C#N)n1 1105263287 SVSBDEFIDCWTFJ-GHMZBOCLSA-N 316.365 -0.541 30 20 DBED CC[C@H](NC(C)=O)C(=O)N1CC(n2cc(CNCC#N)nn2)C1 1105333748 NPUYPHLGSFPVHU-ZDUSSCGKSA-N 319.369 -0.811 30 20 DBED COCCOCC(=O)N(C)CCN(C)c1cncc(C#N)n1 1105346714 IKYYFRBHPBXNFA-UHFFFAOYSA-N 307.354 -0.094 30 20 DBED C#CCNCc1cn(C2CN(C(=O)[C@@H]3C[C@@]34CCOC4)C2)nn1 1105357881 MKTDBFARNYEUGY-GOEBONIOSA-N 315.377 -0.189 30 20 DBED C#Cc1ccc(C(=O)N2CC(n3cc(CNCC#N)nn3)C2)nc1 1105363097 QYTKRIFCJXAXAM-UHFFFAOYSA-N 321.344 -0.035 30 20 DBED C[C@H](CC(=O)N(C)CCN(C)c1ccnc(C#N)n1)NC(N)=O 1105473246 VBSAHZSCOFDTGU-SNVBAGLBSA-N 319.369 -0.310 30 20 DBED Cn1cc(C(=O)NC[C@@H](O)CNc2ccc(C#N)nn2)cn1 1105716297 OGULCFSDEHOVQA-NSHDSACASA-N 301.310 -0.715 30 20 DBED Cc1c(C(=O)NC[C@@H](O)CNc2ncccc2C#N)nnn1C 1105763105 ZLBXAHALROGUJK-NSHDSACASA-N 315.337 -0.407 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)C[C@H](C)OC)C[C@H]1C 1105919026 BGRWAKYIKFDVFL-HZSPNIEDSA-N 309.410 -0.155 30 20 DBED N#Cc1cccnc1NC[C@@H](O)CNC(=O)[C@@]1(F)CCOC1 1106073100 QGSMQNDMBSNRHM-BXUZGUMPSA-N 308.313 -0.029 30 20 DBED CN(CC(=O)NC[C@@H](O)CNc1cnc(C#N)cn1)C1CCC1 1106154513 KDYZJFVDWUQKIT-ZDUSSCGKSA-N 318.381 -0.278 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)[C@H]1CCC(=O)NC1 1106989425 BUQFBHWFGNKQIN-NSHDSACASA-N 316.365 -0.443 30 20 DBED C#CCCN1CCO[C@](C)(CNC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 1108217387 QCJDGZBUVKBJHQ-JJRVBVJISA-N 321.421 -0.059 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)c1cccn(C)c1=O 1108459411 UOAAUDRQCYASFZ-JTQLQIEISA-N 312.333 -0.301 30 20 DBED C=CCOCCN1CC(N2C[C@@H](NC(=O)[C@@H](C)C#N)CC2=O)C1 1108528300 VLOCIZZVJYNRQP-STQMWFEESA-N 320.393 -0.250 30 20 DBED Cc1cc(C#N)nc(NC[C@H](C)NC(=O)c2nnn(C)n2)n1 1108641827 GZHOMVWQKJXAMS-QMMMGPOBSA-N 301.314 -0.589 30 20 DBED C[C@H](CN(C)c1cncc(C#N)n1)NC(=O)C1CS(=O)(=O)C1 1109117092 SNROIWRHHZPTAH-SECBINFHSA-N 323.378 -0.666 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H](NC(=O)[C@H]1CCC(=O)N1)C1CC1 1109794105 QZJHINCYQWLALR-ZIAGYGMSSA-N 313.361 -0.040 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCn1cnnn1 1111181668 HWUMWGYBFZTJND-MCIONIFRSA-N 318.381 -0.566 30 20 DBED CC(=O)NCC(=O)N1C[C@H](CNc2cncc(C#N)n2)[C@@H](C)C1 1111232320 FNLGMRCWIMQKOQ-JQWIXIFHSA-N 316.365 -0.009 30 20 DBED N#Cc1ccc(NCCN(CCO)C(=O)[C@@H]2COC(=O)N2)cn1 1111460335 WBUHHCKPKAOTQE-LBPRGKRZSA-N 319.321 -0.706 30 20 DBED CN(CCCN(C)c1ccc(C#N)cn1)C(=O)[C@@H]1CNC(=O)N1 1112168602 WONNFPVZGURNGT-LBPRGKRZSA-N 316.365 -0.081 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)Cc2ccn(C)n2)CC1 1112835636 HJHIBUWWPUQLTN-ZDUSSCGKSA-N 319.409 -0.203 30 20 DBED CO[C@H](C(=O)N1CCN(CC(=O)NCC#N)CC1)C1CCC1 1113164177 GIMBIWUUZVAPFM-AWEZNQCLSA-N 308.382 -0.415 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)c3cncnc3C)[C@@H]2C1 1113920714 ZWASTJWDTJRGGE-CHWSQXEVSA-N 313.361 -0.806 30 20 DBED Cc1cccnc1C(=O)NC1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]12 1114123376 YQSHBLURXPHTRF-VXGBXAGGSA-N 313.361 -0.310 30 20 DBED N#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)C3C=CC=CC=C3)[C@H]2C1 1114343154 JGAROZJBTZZQGA-FOLVSLTJSA-N 312.373 -0.029 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)c3cnon3)[C@@H]2C1 1114994291 KPBIQWTZIRWPPZ-IVZWLZJFSA-N 305.338 -0.580 30 20 DBED CN(CCOCCNC(=O)c1cn[nH]c1)c1ccnc(C#N)n1 1115177597 BIVPFWBZNXJNIO-UHFFFAOYSA-N 315.337 -0.046 30 20 DBED CCN(CC)C[C@H](C)NC(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1118210839 NENDPRHXOFBNTM-WFASDCNBSA-N 310.398 -0.290 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CC(OCC(F)F)C1)[C@H]1CCCO1 1119155342 GDRHJXIUEXQMIL-WDEREUQCSA-N 316.304 -0.224 30 20 DBED C=CCNC(=O)CN1CCC[C@@H]1[C@H]1CCCN(C(=O)C(N)=O)C1 1120423446 UOBCTHWPZYMCBN-QWHCGFSZSA-N 322.409 -0.523 30 20 DBED CS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](C#N)C2)C1 1120446789 QRLDSTLKKOOJPO-GHMZBOCLSA-N 313.379 -0.606 30 20 DBED CCCC(=O)NCC(=O)NC[C@H](CO)Nc1cnc(C#N)cn1 1121160019 WYDIIPXYAQCTIY-LLVKDONJSA-N 320.353 -0.846 30 20 DBED C[C@](O)(CC(=O)NC[C@@H](CO)Nc1nccnc1C#N)C1CC1 1121340502 YGLYIEQNFPXJBW-NHYWBVRUSA-N 319.365 -0.212 30 20 DBED C#CCN1CCN(c2nnc([C@@]3(O)CCOC3)n2CC=C)CC1 1121631187 IKNBGBFSYZLEQP-MRXNPFEDSA-N 317.393 -0.173 30 20 DBED C#Cc1ccc(C(=O)NC[C@H](CO)N=c2cc[nH]c(C#N)n2)cn1 1121847785 RKHQDMDLRGIDIU-CYBMUJFWSA-N 322.328 -0.651 30 20 DBED Cc1ccc(C#N)c(N[C@@H](CO)CNC(=O)Cc2nc[nH]n2)n1 1121994872 SKYOJSCZQQEDPR-LLVKDONJSA-N 315.337 -0.489 30 20 DBED CNC(=O)CC(=O)N1C[C@@H](Nc2nccnc2C#N)C[C@H]1C 1123200408 AKVBEDGNMMUZIT-ZJUUUORDSA-N 302.338 -0.114 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)CCn2cccn2)C1=O 1123718543 JRQRHNGYEYOHLV-CYBMUJFWSA-N 305.382 -0.234 30 20 DBED Cc1ncc(C(=O)N(C)C[C@@H](O)CN=c2cc[nH]cc2C#N)[nH]1 1124207446 NZMCYXAXQOKMLD-LBPRGKRZSA-N 314.349 -0.048 30 20 DBED C[C@H](C#N)C(=O)NCCNCCN1C(=O)NC2(CCCC2)C1=O 1124904378 ZXXHEZOLTNETRX-LLVKDONJSA-N 321.381 -0.284 30 20 DBED C#CCO[C@@H](C)C(=O)NCCNCC(=O)N1CCC(C)CC1 1127039350 HHFGEZBQERYHES-AWEZNQCLSA-N 309.410 -0.011 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)c2cn3c(n2)CCC3)C1=O 1127639333 XMFOTASQWNZFCV-GFCCVEGCSA-N 317.393 -0.064 30 20 DBED CC#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)CN(C)CCC)C1 1129406983 DTRCEBNERBXKNS-CABCVRRESA-N 318.425 -0.015 30 20 DBED C=CCC[C@H](C)N[C@@H]1CN(C(=O)C(N)=O)C[C@@H]1n1ccnn1 1129985216 SBYNBHLNXNFWPW-TUAOUCFPSA-N 306.370 -0.540 30 20 DBED C#CCCN1CC[C@]2(C1)CN(C(=O)CNC(=O)NC)C[C@@H](C)O2 1131665033 CIJWGGVSNWXHDI-CJNGLKHVSA-N 322.409 -0.370 30 20 DBED C[C@@H]1CC[C@@H](NC(=O)CSCC#N)CN1Cc1nnnn1C 1131866111 UNFOZQDKUYSMDW-GHMZBOCLSA-N 323.426 -0.064 30 20 DBED C[C@H]1CC[C@H](NC(=O)c2cnco2)CN1CC(=O)NCC#N 1132204654 XZZJWEVMMUJEDJ-QWRGUYRKSA-N 305.338 -0.103 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@H](C)c1cncnc1 1132821842 CWQGYJHQEUBTAL-VXGBXAGGSA-N 305.382 -0.023 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)Cc1cc[nH]n1 1133975450 ZQOXQNJCVNNSGK-VXGBXAGGSA-N 305.382 -0.426 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCNC[C@H](O)Cn1cccn1 1135147857 QMYLRWAGAVTZNX-KKUMJFAQSA-N 322.409 -0.069 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1c[nH]c(C)cc1=O 1146560856 JXKYQLNBXGFYOQ-LLVKDONJSA-N 304.350 -0.859 30 20 DBED CC#CCN[C@@H](C)C[C@H](C)NC(=O)c1cn(CC(N)=O)nn1 1146583355 KGWPSGQBRNJWRG-QWRGUYRKSA-N 306.370 -0.727 30 20 DBED C#CCOCCC(=O)N1CC2(CCN(C[C@@H](O)COC)C2)C1 1147534432 HFMPAGJUGGQQHW-CQSZACIVSA-N 310.394 -0.432 30 20 DBED CC#CCN1CCC2(C1)CN(C(=O)CN(C)C(=O)COC)C2 1147682886 VSFPRYIFDLAWBO-UHFFFAOYSA-N 307.394 -0.351 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)C(=O)NCC(F)F)C1 1149930165 IGEFZVNVRMRSLY-SNVBAGLBSA-N 303.309 -0.792 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)c1ncccc1O 1152975383 QTXLXVNAEFLOEO-LLVKDONJSA-N 319.365 -0.133 30 20 DBED CC#CCN(CC)[C@H](C)CNC(=O)CNC(=O)Cn1cncn1 1157081740 PMAISZJEPBZCST-CYBMUJFWSA-N 320.397 -0.756 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)c1[nH]cnc1C 1157353359 VOEQCWIUGRRMPB-LLVKDONJSA-N 305.382 -0.092 30 20 DBED C=CCNC(=O)CNCCCNC(=O)c1cccc2nn[nH]c12 1158713015 RIFXPUGSTYOEMN-UHFFFAOYSA-N 316.365 -0.030 30 20 DBED CC#CCNCCCNC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 1163007598 SXVZUGFULFFYRO-CVEARBPZSA-N 323.437 -0.015 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NCCCN[C@H](C)C(=O)NC 1167677999 NVKDGGTWOWSVQW-YPMHNXCESA-N 312.414 -0.312 30 20 DBED CC1(C)NC(=O)N(CC(=O)NCCC2(CNCC#N)CC2)C1=O 1167981442 SLYAYGZPMYJDRS-UHFFFAOYSA-N 321.381 -0.284 30 20 DBED N#CCN1CCO[C@@H]2CCN(C(=O)CCCn3ccnn3)C[C@H]21 1177035237 JBJDJYVEWHCDGG-ZIAGYGMSSA-N 318.381 -0.116 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)C2=COCCO2)[C@H]1C 1178054675 MJPXKSFWZBAYKB-RYUDHWBXSA-N 309.366 -0.244 30 20 DBED COCC#CCN[C@H]1CCN(C(=O)C[C@@H](C)NC(N)=O)[C@H]1C 1178689657 UWUPVXPCGHDEPZ-AGIUHOORSA-N 310.398 -0.338 30 20 DBED C#CCCNC[C@H]1CCN(C(=O)CN2CCNC(=O)C2)C[C@H]1C 1184932668 ADOFIFLSCQNLBD-HUUCEWRRSA-N 320.437 -0.484 30 20 DBED C=CCNC[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)CC12CCOCC2 1186465082 XCKOFRPFBKBRID-CHWSQXEVSA-N 322.409 -0.301 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)C[C@](C)(O)C=C)[C@@H]2C1 1187755235 KKIKBVQSTLGZBX-JJRVBVJISA-N 319.405 -0.404 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)CNC(=O)C2CC2)C1 1189030894 FURXIBXPWMRGLT-ZDUSSCGKSA-N 322.409 -0.653 30 20 DBED COCC1(CC(=O)N2CC[C@@H](N(C)CC(=O)NCC#N)C2)CC1 1190067941 VXFMSTSABFGAOI-CYBMUJFWSA-N 322.409 -0.024 30 20 DBED C=CCCC(=O)N[C@@H]1CN(CCOCCNC(C)=O)C[C@H]1O 1191724528 JUISZMLOADDQQB-ZIAGYGMSSA-N 313.398 -0.733 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCCN(C(=O)[C@@H](C)COC)CC1 1195267480 KFNPHTZHQRXOJU-UONOGXRCSA-N 309.410 -0.059 30 20 DBED C#CCOCCC(=O)N1CCCN(Cc2cnn(C)n2)CC1 1195824283 QHANZTYSYHIQEL-UHFFFAOYSA-N 305.382 -0.111 30 20 DBED CCOCCNC(=O)CNC1CCN(C(=O)[C@H](C)C#N)CC1 1199827338 VEUNVZKIPLSQQL-GFCCVEGCSA-N 310.398 -0.121 30 20 DBED C#CCNC[C@H]1CN(C(=O)CCCS(C)(=O)=O)CCCO1 1201630285 VLVAQCCFNDJWDQ-ZDUSSCGKSA-N 316.423 -0.349 30 20 DBED COCC#CCNC1CCN(C(=O)c2cn(C)c(=O)cn2)CC1 1201693185 JQPJZFIGCCBRCW-UHFFFAOYSA-N 318.377 -0.376 30 20 DBED C#CCCNC1CCN(C(=O)[C@H]2CN(C(C)=O)CCO2)CC1 1203545479 YGFCJWDOJJOQIP-OAHLLOKOSA-N 307.394 -0.162 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)c2cnnn2C)[C@H](C)C1 1206918092 LSGRICDCRTWBCO-GHMZBOCLSA-N 306.370 -0.833 30 20 DBED N#CCNCC1CCN(C(=O)CCCN2C(=O)CNC2=O)CC1 1206920896 NOGZUWSQFLIZON-UHFFFAOYSA-N 321.381 -0.330 30 20 DBED CCOCCNC(=O)CN1C[C@@H](NC(=O)C#CC2CC2)[C@H](C)C1 1206948314 DXTVRXVOTKEXDA-UKRRQHHQSA-N 321.421 -0.011 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)c2csnn2)C1 1208807569 PRGSLIBPYXBBIG-SNVBAGLBSA-N 307.379 -0.518 30 20 DBED C=C(C)CN[C@@H]1CCCN(C(=O)CNS(=O)(=O)N(C)C)C1 1209883631 MAGPXHFHSXASHL-GFCCVEGCSA-N 318.443 -0.461 30 20 DBED CCN1CCO[C@@H](C(=O)N2CCC[C@@H](NCC#CCOC)C2)C1 1211177538 WZPCGJSMXMJZMQ-HZPDHXFCSA-N 323.437 -0.063 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(CC(=O)N(C)C)C[C@H]1OC 1212194789 XHRKTAHYBGCRQY-JMSVASOKSA-N 313.398 -0.783 30 20 DBED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)C[C@@H](C)C1CC1 1213940723 PDYMOGXOLXYLCX-MRVWCRGKSA-N 322.409 -0.122 30 20 DBED C[C@@H]1CN(C(=O)c2cccn2C)C[C@H]1NCC(=O)NCC#N 1214146658 KUJHVOVPJVMGHT-VXGBXAGGSA-N 303.366 -0.285 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)Cc2cnn(C)c2)C[C@H]1C 1214301582 FLLFDVDPVAOYIO-TZMCWYRMSA-N 319.409 -0.299 30 20 DBED CC(C)CCCC(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@@H]1O 1220403702 BGXHOVSRHVPUAC-OLZOCXBDSA-N 310.398 -0.386 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)COCc2ncnn2C)C1 1220660742 AEKFNUANQUOSSJ-NEPJUHHUSA-N 309.370 -0.931 30 20 DBED C#CCN1CCS(=O)(=O)[C@H](CCNC(=O)c2cnn(C)c2)C1 1230416669 ODLRIKUHIRGINK-CYBMUJFWSA-N 324.406 -0.728 30 20 DBED CNC(=O)NCC(=O)NCCCN(CC#N)Cc1cccnc1 1230771686 PKIQRYVDOJBEJZ-UHFFFAOYSA-N 318.381 -0.158 30 20 DBED C=CCOCCNC(=O)C(=O)N1CCO[C@@]2(CCO[C@H]2C)C1 1261582555 WMUJOHDGLROBHE-WFASDCNBSA-N 312.366 -0.288 30 20 DBED C=CCNC(=O)[C@H](C)N1CC[C@@H](NC(=O)c2cnn(C)c2N)C1 1265279779 YBJMYRPNSWGKKB-WDEREUQCSA-N 320.397 -0.503 30 20 DBED COC[C@@H]1CN(C(=O)C(=O)Nc2cnn(CC#N)c2)C[C@H](C)O1 1320625199 QXRHEOQOYSSWPH-JQWIXIFHSA-N 321.337 -0.393 30 20 DBED CNC(=O)CNC(=O)c1cccc(NCC(=O)NCC#N)c1 1321684944 JAUKPEFWJJXSGH-UHFFFAOYSA-N 303.322 -0.786 30 20 DBED C#CCSCCNC(=O)C(=O)NCC(C)(C)S(C)(=O)=O 1323086886 CTDBCBSVOKTVAD-UHFFFAOYSA-N 320.436 -0.592 30 20 DBED C=CC[C@H](CC)NC(=O)C(=O)N1CC[C@H](S(=O)(=O)NC)C1 1323098644 AFJMOXIPEWNXSI-QWRGUYRKSA-N 317.411 -0.393 30 20 DBED C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@](C)(C#N)C2)C[C@@H](CO)O1 1325064005 FREOKNPDJHLZEC-XUJVJEKNSA-N 309.366 -0.253 30 20 DBED C#CC1CCN(C(=O)C(=O)N[C@@H](C)CN2CCCC2=O)CC1 1326871179 ZECUYHFSSHFINE-LBPRGKRZSA-N 305.378 -0.015 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CC[C@@H](n2cncn2)C1)[C@H]1CCCO1 1327257313 BOVIVYKAMYOAQP-FRRDWIJNSA-N 317.349 -0.652 30 20 DBED COC(=O)c1cnn(C)c1NC(=O)C(=O)N(C)C[C@@H](C)C#N 1330361486 IHHJERKLQTYOSR-QMMMGPOBSA-N 307.310 -0.237 30 20 DBED CCNC(=O)NCCNC(=O)CCN/C(O)=C1\N=CC=CC1=O 1330461598 UKWAKRWIKLKFTG-OUKQBFOZSA-N 323.353 -0.662 30 20 DBED CNC(=O)[C@H](C#N)C(=O)CC1CCN(S(C)(=O)=O)CC1 1341949684 MALJFEDFTXSSLH-SNVBAGLBSA-N 301.368 -0.497 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CC(OCCOC)C1)[C@@H]1CCCO1 1343079250 HFNMJKLRSLCJJY-STQMWFEESA-N 310.350 -0.843 30 20 DBED C#CCOCCN(C)C(=O)c1ccc(S(=O)(=O)NC)o1 1348349708 DLFLZXOPMNCDMJ-UHFFFAOYSA-N 300.336 -0.091 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)NCC2SCCS2)CCO1 1350206231 YWCVWBUHBBAIHJ-QMMMGPOBSA-N 301.393 -0.340 30 20 DBED C#CCCn1nnnc1N1CCC[C@H](n2cc(CO)nn2)C1 1355766959 QNITZPMSZNGEJE-LBPRGKRZSA-N 302.342 -0.378 30 20 DBED C=CCn1c(Cc2nn[nH]n2)nnc1N1C[C@H]2COC[C@H]2C1 1355949781 HYEDQFMKIUSQGM-AOOOYVTPSA-N 302.342 -0.349 30 20 DBED CCCc1n[nH]cc1C(=O)NCCn1cc(C#N)c(O)nc1=O 1362691487 XYHFZSARPQTMCX-UHFFFAOYSA-N 316.321 -0.074 30 20 DBED N#Cc1cn(CCNC(=O)[C@@H]2[C@H]3CCC(=O)[C@@H]32)c(=O)nc1O 1363483727 PBVATLSIWULGCD-JMJZKYOTSA-N 302.290 -0.838 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCN(C)C(=O)C[C@H]1CCC(=O)NC1 1376310495 SSRCBQVTSPGRKC-NWDGAFQWSA-N 308.382 -0.021 30 20 DBED CCn1ccnc1C(=O)N(C)C[C@H](O)CNC(=O)[C@H](C)C#N 1384223525 XBJJHRWZPDKZET-GHMZBOCLSA-N 307.354 -0.388 30 20 DBED Cc1nc(C)c(C(=O)N(C)C[C@@H](O)CNC(=O)[C@H](C)C#N)[nH]1 1384273830 KANMVBHUXXBHDM-KCJUWKMLSA-N 307.354 -0.265 30 20 DBED CNC(=O)NCC(=O)N[C@H]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 1386155751 DZMLPKZXMRGTPI-MGCOHNPYSA-N 318.337 -0.808 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)C1CC1 1387529435 YIXZLVBYAPXKAQ-ZMLRMANQSA-N 322.365 -0.714 30 20 DBED CCN(CCNC(=O)[C@H](C)C#N)C(=O)[C@@H]1CCCN(C(N)=O)C1 1388408056 QMCLCUTXDZDTMZ-VXGBXAGGSA-N 323.397 -0.099 30 20 DBED N#Cc1ccc(C(=O)NC[C@H](O)CNC(=O)[C@@H]2CCOC2)[nH]1 1389071054 AKMJIKIZRIFXPS-MWLCHTKSSA-N 306.322 -0.870 30 20 DBED C[C@H](C#N)C(=O)N(C)CCNC(=O)Cc1nnn(C(C)(C)C)n1 1397925630 WYLFTPMKUIOHLW-SNVBAGLBSA-N 321.385 -0.295 30 20 DBED CCN1CCCC[C@@H]1C(=O)NCCn1cc(C#N)c(O)nc1=O 1412862154 NLLWNUKSZXPENX-GFCCVEGCSA-N 319.365 -0.189 30 20 DBED COCCN(CCNC(=O)[C@H](C)C#N)C(=O)[C@@H]1CCC(=O)N1C 1413517586 VTJKHDDLMKKXIO-NEPJUHHUSA-N 324.381 -0.642 30 20 DBED C=C(Cl)CN(CC)CCNC(=O)CN1CCNC(=O)C1 1418556246 QYZOXOCEPPLFNI-UHFFFAOYSA-N 302.806 -0.391 30 20 DBED N#Cc1ccccc1CNC[C@H](O)CNC(=O)[C@H]1C[C@H]1C(N)=O 1420173639 MIRBFYDDHBCTDA-MJBXVCDLSA-N 316.361 -0.754 30 20 DBED C=C(Cl)CN1CC(O)(CNC(=O)c2cnc(O)n2C)C1 1440067809 BAYSWBBZUVNOHJ-UHFFFAOYSA-N 300.746 -0.345 30 20 DBED C=C(Cl)CN[C@@H](C)CCNC(=O)Cn1cnc(C(N)=O)n1 1447642180 ALPFSSXEANGERU-VIFPVBQESA-N 314.777 -0.386 30 20 DBED N#Cc1cncc(S(=O)(=O)N[C@@H](C(N)=O)c2ccccn2)c1 1463757266 SZOUVORDGRPMFE-GFCCVEGCSA-N 317.330 -0.147 30 20 DBED C=CCC1(O)CCN(c2nnnn2[C@H]2CC(=O)N(C)C2)CC1 1520683499 VGPZHZFTSZZTTH-NSHDSACASA-N 306.370 -0.016 30 20 DBED CC(C)c1nnnn1CC(=O)N[C@H]1C[C@H](NC(=O)[C@@H](C)C#N)C1 1525052985 UFLAHZHGAAFDDR-DCAQKATOSA-N 319.369 -0.280 30 20 DBED N#Cc1cn(CC(=O)N2CCCCC[C@@H]2C(=O)O)c(=O)nc1O 1571145884 NHVYRPHQZDXUHR-SNVBAGLBSA-N 320.305 -0.324 30 20 DBED C[C@@H]1CN(c2cnc(-c3nn[nH]n3)c(C#N)n2)CCN1CCO 1576363721 HMADCNYTBXSCSO-SECBINFHSA-N 315.341 -0.969 30 20 DBED N#Cc1cccc(-c2nn[nH]n2)c1N1CCn2c(CO)nnc2C1 1581874409 QQVSBNOKZXRGCP-UHFFFAOYSA-N 323.320 -0.158 30 20 DBED C#CC[C@@H](NC(=O)c1cc(-c2nn[nH]n2)ccn1)C(=O)OC 1588333704 BSCRORGVENLQTQ-SECBINFHSA-N 300.278 -0.444 30 20 DBED COC(=O)C(C)(C)C(=O)Cn1c(N)nc(-c2nn[nH]n2)c1C#N 1591225842 BLOJRFXLWYATFD-UHFFFAOYSA-N 318.297 -0.715 30 20 DBED C[C@@](CO)(NS(=O)(=O)c1ccc(C#N)c(F)c1)C(=O)O 1592755140 AAHYGGBKVPQCET-NSHDSACASA-N 302.283 -0.189 30 20 DBED CC1=C(C(=O)O)C[C@H](Cn2c(=O)c(C#N)c(C)n(C)c2=O)O1 1594107046 SLKDSAVQNLWVKU-SECBINFHSA-N 305.290 -0.125 30 20 DBED COCC#CCN1C[C@@H](C(=O)O)N(CC#CCOC)C[C@@H]1C 1599138196 KMPCWWHAWGHACL-GJZGRUSLSA-N 308.378 -0.255 30 20 DBED N#C[C@]1(F)CCN(C(=O)C(=O)N2CCO[C@@H](CC(=O)O)C2)C1 1601058077 KPOJYLJZMHIVQD-TVQRCGJNSA-N 313.285 -0.847 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(C)C[C@@H](C)C(=O)O)C1=O 1602722738 LGFMAFMCYWXUJX-MRVPVSSYSA-N 311.294 -0.858 30 20 DBED CCOC(=O)C(C)(C)C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[nH]1 1604362469 SXZAKWFCVAPZOL-UHFFFAOYSA-N 318.297 -0.011 30 20 DBED N#Cc1nc(N)n(Cn2nnc3ccccc32)c1-c1nn[nH]n1 1606388863 COXJKRRNXAAAGU-UHFFFAOYSA-N 307.281 -0.232 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)NC[C@@H]1CCCS(=O)(=O)C1 1647189028 JFMGVJNEJKUPLP-MNOVXSKESA-N 323.440 -0.263 30 20 DBED C=CCOCCNC[C@H]1CCCN1C(=O)[C@@H]1CN(C)C(=O)N1 1671332505 AKERERAIGGQMTM-OLZOCXBDSA-N 310.398 -0.207 30 20 DBED C#CCNC(=O)CNC[C@H](NC(=O)[C@H]1CCCN1C)C1CC1 1716617515 LCHGCQOKJLZGJQ-UONOGXRCSA-N 306.410 -0.686 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H]1CN(Cc2cnn(C)n2)CCO1 1753648240 BXKMPOXDFFRKKM-GXTWGEPZSA-N 321.381 -0.830 30 20 DBED COCC#CCN1CC2(CCN(C(=O)[C@@H]3CCNC3=O)CC2)C1 1753673747 BXYHLAZNJKXACQ-CQSZACIVSA-N 319.405 -0.303 30 20 DBED C=CCNC(=O)CNC/C=C\CNC(=O)[C@@H]1CCNC(=O)CC1 1754153413 GGXQZRYQYIVJMS-SCOBNMCVSA-N 322.409 -0.533 30 20 DBED C#CCNC(=O)CNC1(CNC(=O)c2ccnc(C)c2)CC1 1754529219 BPNJZBNRSSGLDF-UHFFFAOYSA-N 300.362 -0.009 30 20 DBED C#CCNC(=O)CNC1(CNC(=O)C23CCN(CC2)C3)CC1 1754531493 CMTXNWBAUQPFPF-UHFFFAOYSA-N 304.394 -0.930 30 20 DBED COCC#CCN1C[C@H]2CN(C(=O)CCn3ccnn3)C[C@H]2C1 1754840559 AWIQZFZDJDSHDX-GASCZTMLSA-N 317.393 -0.292 30 20 DBED COCC#CCNCCN(CCO)C(=O)c1c(C)ncn1C 1754884636 XXKPDTICDYVSAP-UHFFFAOYSA-N 308.382 -0.598 30 20 DBED COCC#CCNCCN(CCO)C(=O)[C@@H]1CCO[C@H]1C1CC1 1754886764 HAQKCCXSNGXLKA-CVEARBPZSA-N 324.421 -0.138 30 20 DBED N#CCNC(=O)CNC[C@@H]1CN(C(=O)[C@H]2CC=CCC2)CCO1 1754996283 XISQGCOPKXAWBE-UONOGXRCSA-N 320.393 -0.201 30 20 DBED C#CCNC(=O)CNC[C@H]1CN(C(=O)Cc2ccoc2)CCO1 1754999166 CTIZMNFAKGPPKB-AWEZNQCLSA-N 319.361 -0.612 30 20 DBED C#CCNC(=O)CN[C@@H](CO)CNC(=O)c1cc(C)oc1C 1755624115 MWNZJBOMDGAMGG-GFCCVEGCSA-N 307.350 -0.674 30 20 DBED C=CCN1CC[C@H](N[C@@H](CO)CNC(=O)c2ccns2)C1=O 1755630732 QFDFQICLOLZZLD-MNOVXSKESA-N 324.406 -0.390 30 20 DBED C#CCOCCC(=O)N(C)[C@@H](C)CNC(=O)c1cnnc(O)c1 1756039091 DLHJCROVFLABDF-NSHDSACASA-N 320.349 -0.201 30 20 DBED C=CC(C)(C)C(=O)N1CC(CCO)(NC(=O)c2ncn(C)n2)C1 1756079425 BKNIHFZYCNRTMU-UHFFFAOYSA-N 321.381 -0.280 30 20 DBED Cc1c(C(=O)N(C)CCOCCNC(=O)[C@H](C)C#N)nnn1C 1756381352 FXEVGBPINSFZBZ-SNVBAGLBSA-N 322.369 -0.512 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H](CO)NC(=O)Cc1cccs1 1756520756 CWYPIKZYCBIETR-NWDGAFQWSA-N 324.402 -0.078 30 20 DBED CN(C[C@@H](O)CNC(=O)C#CC1CC1)C(=O)C[C@H]1CCCO1 1756653511 GNKSECYTCQEGDU-UONOGXRCSA-N 308.378 -0.096 30 20 DBED C#CCCCCCC(=O)N1C[C@@H](O)[C@H](NC(=O)CNC(C)=O)C1 1756975788 SGQOUWALPLVFTP-ZIAGYGMSSA-N 323.393 -0.606 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CN(C(=O)c2cccnn2)C[C@H]1O 1756993529 DYRUKGRSMAAXLL-CHWSQXEVSA-N 300.318 -0.809 30 20 DBED C=CCCO[C@@H](C)C(=O)N[C@@H]1CN(C(=O)COC)C[C@H]1OC 1757119121 DHWDYILZGJMIJZ-YNEHKIRRSA-N 314.382 -0.044 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H]1CN(C)C(=O)C#CC1CC1 1757288989 FJGHPJGTHOYHGE-CQSZACIVSA-N 315.373 -0.401 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC[C@@](O)(C(=O)O)C1 1776398573 UJCHYYANZFQKKG-ONGXEEELSA-N 305.356 -0.623 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)C1(CC)COC1)CCO2 1783055017 LQEFHRTYOMSWKE-INIZCTEOSA-N 306.362 -0.124 30 20 DBED C=CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)NC(C)=O)CCO2 1783922674 XCFUHCOJEDLUMD-WBMJQRKESA-N 323.393 -0.083 30 20 DBED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccon3)[C@H]2C1 1786221148 BGXFLDYBEFTHRJ-GVXVVHGQSA-N 303.318 -0.099 30 20 DBED C[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)S)[C@H]2C1 1791266037 XLMBJXWYXCSCFP-OSUNSFLBSA-N 316.423 -0.335 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C)on1 1794847483 MERJYPPJTJMLIG-GNXNZQSNSA-N 303.318 -0.181 30 20 DBED O=C1C[C@@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C#CC2CC2)CN1 1847746491 CMLMKTNBZDUZIX-RDBSUJKOSA-N 315.373 -0.262 30 20 DBED C=CCc1cc(C(=O)NC(C(N)=O)C(N)=O)cc(OC)c1OC 23388478 BPPMRIBTQPWROR-UHFFFAOYSA-N 321.333 -0.499 30 20 DBED C=CC[C@@H](NC(=O)C1CCN(S(C)(=O)=O)CC1)C(=O)O 150091962 SXWOAUSIEAGXKO-SNVBAGLBSA-N 304.368 -0.197 30 20 DBED CC#CCN1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 159055065 JBFZBHXFDFKIIK-KBPBESRZSA-N 315.439 -0.019 30 20 DBED CC/N=C(/NC[C@H]1CN2CCN1CC2)N1CCN(C(C)=O)CC1 262742292 CRSQCNKGGFVBQX-HNNXBMFYSA-N 322.457 -0.884 30 20 DBED COC(=O)[C@@H](NCCN1C(=O)CNC1=O)c1cccc(C#N)c1 267711607 SHOOCNALMHQKIY-ZDUSSCGKSA-N 316.317 -0.086 30 20 DBED C#CCN(C(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)C1CC1 274012431 GXKBWUWGARNBCJ-RFHZTLPTSA-N 302.330 -0.227 30 20 DBED C#CCOc1cccc(NC(=O)C(=O)N2CCNC(=O)[C@H]2C)c1 275792823 CGLSNYZSDVHPGM-LLVKDONJSA-N 315.329 -0.016 30 20 DBED N#Cc1ncccc1S(=O)(=O)NC[C@@H](CO)[C@H]1CCOC1 281048464 RWGRBEUAQZHVEV-QWRGUYRKSA-N 311.363 -0.123 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H]2CCCOC2)C1=O 299613298 YOLHXOPERGVPLU-SNVBAGLBSA-N 309.322 -0.494 30 20 DBED Cn1c(N2CCC[C@@H](CCC(N)=O)C2)c(C#N)c(=O)n(C)c1=O 301139151 BUCMYOSUJIZJCE-JTQLQIEISA-N 319.365 -0.562 30 20 DBED C/N=C(/O)NC1CN(C(=O)C(C)(C)S(=O)(=O)C2CC2)C1 329074694 ABOGJUPOXYQDAC-UHFFFAOYSA-N 303.384 -0.314 30 20 DBED CN1CC(=O)N(C/C(O)=N/[C@@H](CO)CN2CCCCC2)C1=O 329464041 QXLYLHFWXHQMLU-LLVKDONJSA-N 312.370 -0.316 30 20 DBED CCN1CCN(/C(O)=N/[C@H](C)CN2CCN(C)CC2)CC1=O 329562018 GJILHMWURNCOSU-CYBMUJFWSA-N 311.430 -0.300 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N(C)CCN1CCOCC1 330405497 HSHURHMWVAVOAA-GFCCVEGCSA-N 304.416 -0.271 30 20 DBED C[C@H](O)CN1CCN(/C(O)=N/[C@H](C)CS(C)(=O)=O)C[C@@H]1C 330860936 RYETYHBXCASBKG-WOPDTQHZSA-N 321.443 -0.280 30 20 DBED Cc1cc(N=C(O)C(=O)N[C@H]2CC(=O)N(C(C)C)C2=O)n(C)n1 331038354 BFUFWZNXOKQDGL-VIFPVBQESA-N 321.337 -0.031 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)CCCS(=O)(=O)N(C)C 332510492 XFFMLMBYICNGPI-SNVBAGLBSA-N 311.429 -0.168 30 20 DBED CCOCCOCCN(C)S(=O)(=O)N1CCO[C@@H](C#N)C1 337197650 XLFBAWBNXZMKHJ-LBPRGKRZSA-N 321.399 -0.560 30 20 DBED N#CC1(NC(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)CCC1 340636538 UFYVKMIRZKJTND-IQIPOGNMSA-N 303.318 -0.289 30 20 DBED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCOC[C@H]2C)n1 359133937 BXXNGDLWTKOVDK-SNVBAGLBSA-N 305.338 0.521 30 20 DBED C[C@@H]1CCCN(S(=O)(=O)N2CCO[C@H](C#N)C2)[C@H]1C(=O)O 424367385 LVHOPJZAFGVUMU-GMTAPVOTSA-N 317.367 -0.359 30 20 DBED C#C[C@@H](NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)C(C)C 490950839 TYZUPPKOHBZWKD-LLVKDONJSA-N 323.440 -0.944 30 20 DBED C#CCNC(=O)CN1CCN([C@@H]2CCCN(C(C)C)C2=O)CC1 491230768 OREWGDBLLYMVRZ-OAHLLOKOSA-N 320.437 -0.247 30 20 DBED N#CCN1CCC[C@@H](CNC(=O)CN2CCCS2(=O)=O)C1 531358399 DRNQQELPTVWSEA-LBPRGKRZSA-N 314.411 -0.626 30 20 DBED N#C[C@]1(NC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)CCOC1 547490390 JNNKVPJARDZMSS-XDRYEDQOSA-N 315.329 -0.408 30 20 DBED COCC1(O)CN(S(=O)(=O)c2ccc(C#N)cc2OC)C1 570653334 XXIPSUQUUSXAOI-UHFFFAOYSA-N 312.347 -0.051 30 20 DBED CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)N1CCO[C@@H](C#N)C1 597170319 NDWLESTWBKNTJW-CMPLNLGQSA-N 315.395 -0.156 30 20 DBED CSCC[C@H](NS(=O)(=O)c1cncc(C#N)c1)C(N)=O 599403612 DZTXROXGWRRJNN-JTQLQIEISA-N 314.392 -0.161 30 20 DBED N#Cc1cnn(-c2ccc(C(=O)NCc3nn[nH]n3)cc2)c1N 609533192 ZUOIWBJBAAHTBL-UHFFFAOYSA-N 309.293 -0.231 30 20 DBED COCCCS(=O)(=O)NCCN1CCN(CCC#N)CC1 611175756 JWNVAZHFVDWCJE-UHFFFAOYSA-N 318.443 -0.526 30 20 DBED C=CCNC(=O)CN1CCN(CC(=O)NCC=C)[C@H](C)[C@H]1C 662224334 WWIUTSSJASTSCW-ZIAGYGMSSA-N 308.426 -0.015 30 20 DBED C[C@@H](OC(=O)CCS(=O)(=O)N(C)C)C(=O)N(C)CCC#N 772273628 DQAMMGUUQCNERB-SNVBAGLBSA-N 319.383 -0.428 30 20 DBED C#C[C@@H](NC(=O)NCCCN1C(=O)CNC1=O)[C@H]1CCCO1 773295013 YXPGOGRDLJAFJA-GHMZBOCLSA-N 308.338 -0.592 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)c1ccnc2c1nnn2C 801497017 KNZRGOJRBAGJEL-UHFFFAOYSA-N 318.293 -0.468 30 20 DBED CCOC(=O)CC[C@@]1(C)NC(=O)N(CC(=O)NCCC#N)C1=O 804925365 WFWBCISYWJCVKG-CQSZACIVSA-N 324.337 -0.330 30 20 DBED C#CCNS(=O)(=O)N1CCN([C@@H](C)c2noc(C)n2)CC1 809968552 VLLHWXXHTMNMGL-JTQLQIEISA-N 313.383 -0.476 30 20 DBED CN(C)c1ncc(C=NN=c2nc3[nH][nH]cc-3c(O)n2)n1C 811641901 ASVAOYDEFRKBHQ-UHFFFAOYSA-N 301.314 -0.323 30 20 DBED COC(=O)CC[C@@]1(C)NC(=O)N(CN2CCOC[C@H]2C#N)C1=O 811751213 JGJBFHQPIMTMOM-QMTHXVAHSA-N 324.337 -0.568 30 20 DBED C#C[C@H](NC(=O)C(=O)NCCN(C)C(=O)OC)[C@H]1CCCO1 829215584 WRYRCANFCRTELO-WDEREUQCSA-N 311.338 -0.902 30 20 DBED CC(C)(C)C(=O)Cn1cc(C(=O)N[C@@H]2CNC[C@@H]2C#N)nn1 834479639 HEJQVKHKRGBOEE-VHSXEESVSA-N 304.354 -0.265 30 20 DBED C#CCNS(=O)(=O)N1CCN(CCc2ccccn2)CC1 878314017 IWSZVRBYCJNINB-UHFFFAOYSA-N 308.407 -0.291 30 20 DBED C#C[C@H](NC(=O)C(=O)N1C[C@H]2CC[C@@H](O)[C@H]2C1)[C@H]1CCCO1 898004098 XVZIJIVFYLVJRD-MBJXGIAVSA-N 306.362 -0.487 30 20 DBED CCOC(=O)[C@@H]1CCCN(CC(=O)N2CCN(CC#N)CC2)C1 900777252 NLYFWWHQKYWSOF-CQSZACIVSA-N 322.409 -0.071 30 20 DBED N#Cc1cc(C(=O)N[C@H]2CCN(C(=O)[C@H]3CCNC3=O)C2)c[nH]1 937853540 OWADPOAEUGWWAU-JQWIXIFHSA-N 315.333 -0.647 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](NC(=O)c2nc3ncccn3n2)C1 938503825 CRRRDNKUAQPWCU-ZJUUUORDSA-N 313.321 -0.385 30 20 DBED C#CCCN1CC[C@H](NC(=O)C2CC(=O)NC(=O)C2)[C@H](C)C1 943546813 DZYBGJQSHMFDKL-YPMHNXCESA-N 305.378 -0.111 30 20 DBED O=C1CC[C@@H](C(=O)NC[C@@H]2CN(C(=O)C#CC3CC3)CCO2)N1 944695878 WSXAROIZVXMPBV-OLZOCXBDSA-N 319.361 -0.978 30 20 DBED CCN(C(=O)[C@@H]1Cc2cncn2C(=O)N1)C1CN(CC#N)C1 950960720 GPVYEBRSNAZGQK-LBPRGKRZSA-N 302.338 -0.578 30 20 DBED C#CCCN1C[C@H](CNC(=O)c2conc2COC)[C@@H](O)C1 958585401 YHNATRQGIGWDCO-FZMZJTMJSA-N 307.350 -0.133 30 20 DBED Cc1cc(O)nc(C)c1C(=O)NC[C@@H]1CN(CC#N)C[C@H]1O 958713564 DWPMCFDCUMUDGB-VXGBXAGGSA-N 304.350 -0.050 30 20 DBED C[C@H](NC(=O)c1ccc(C#N)[nH]1)[C@H]1CCN(C(=O)CC(N)=O)C1 959090380 AVQSRZPGGZWBEZ-UWVGGRQHSA-N 317.349 -0.271 30 20 DBED Cc1cnc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)cn1 961320104 JDEWSNDYOUZYNQ-FXAINCCUSA-N 303.322 -0.754 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)c2ncccc2O)C1 962434291 GOTTVWIQFKXPSB-NGZCFLSTSA-N 304.306 -0.752 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)c1cnc(O)n1C 964288682 HSLHXJZSFLSXIT-VHSXEESVSA-N 321.337 -0.757 30 20 DBED Cc1cnn(C)c1C(=O)NC[C@H]1COCCN1C(=O)[C@H](C)C#N 964322458 CJMXEWFRDCKQGI-PWSUYJOCSA-N 319.365 -0.155 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(C1)CN(C(=O)[C@H]1COCCO1)CCO2 965309532 BJJJNVVFVIBWJB-NWDGAFQWSA-N 323.349 -0.999 30 20 DBED C#CCN1CC([C@@H](C)NC(=O)[C@H]2CC(=O)N(CCOC)C2)C1 969789783 RPULVTDJDUCJED-OLZOCXBDSA-N 307.394 -0.449 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@]2(CN(CC(=O)NC3CC3)CCO2)C1 972297324 ICVXRKFWDKFTSG-LRDDRELGSA-N 320.393 -0.272 30 20 DBED CN(CC#N)[C@@H]1CCN(C(=O)c2cnn3c(=O)cc[nH]c23)C1 972495079 JOGWPBKDTYMEBS-SNVBAGLBSA-N 300.322 -0.308 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]2CCN(C(=O)c3nnn(C)n3)[C@H]2C1 975970548 YSKOCUCVZVYJNB-DCAQKATOSA-N 317.353 -0.567 30 20 DBED CC#CCN1C[C@@H]2C(CNC(=O)[C@H]3CCCS3(=O)=O)[C@H]2C1 979070013 GRXCGWDLRQBLQK-MGPQQGTHSA-N 310.419 -0.119 30 20 DBED CC1(C)C(=O)NC(=O)N1CC(=O)N[C@@H]1CCC[C@H](NCC#N)C1 981439491 DRUVYATZJFIMCC-WDEREUQCSA-N 321.381 -0.143 30 20 DBED C#CCN1CCCC2(C1)CN(C(=O)c1nnc(O)nc1O)C2 981871644 DJLQJNQOZUMMCB-UHFFFAOYSA-N 303.322 -0.546 30 20 DBED C#CCN[C@@H]1CCN(C(=O)c2coc(S(N)(=O)=O)c2)[C@@H]1C 986442001 RYDULIRLVJUKBR-MWLCHTKSSA-N 311.363 -0.247 30 20 DBED C[C@@H]1[C@@H](NC(=O)Cn2nccn2)CCN1C(=O)C#CC1CC1 988233089 WAFIPLQHSWVCBI-YPMHNXCESA-N 301.350 -0.203 30 20 DBED C#CCN[C@H]1C[C@H](C)N(C(=O)CN2C(=O)NC(C)(C)C2=O)C1 989751276 DGXAMBYLKOUAGV-QWRGUYRKSA-N 306.366 -0.471 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)Cn2cc(C3CC3)nn2)C1 993936534 IGMZXEGPOZHPRD-VIFPVBQESA-N 302.338 -0.358 30 20 DBED CC(=O)N1CCC[C@@H]1C(=O)NC1CN(C(=O)C#CC2CC2)C1 994301606 HKVDYZZBEWTVTA-CQSZACIVSA-N 303.362 -0.262 30 20 DBED C#CCN1CC[C@H](n2cc(CNC(=O)c3cnns3)nn2)C1 999956116 NUEILMOHZAUOIL-NSHDSACASA-N 317.378 -0.060 30 20 DBED CC#CCN1CCC(N(C)C(=O)c2cn(CC(N)=O)nn2)CC1 1006447565 WLNKSGRPYGLTOM-UHFFFAOYSA-N 318.381 -0.677 30 20 DBED C=C(C)CCN1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)C1 1016341214 KSCUOZYJCZLABQ-NSHDSACASA-N 306.370 -0.466 30 20 DBED C[C@H](C#N)C(=O)N1CC=C(CNC(=O)[C@H]2COCCN2C)CC1 1017395000 NMZMYHDJHUSAGO-TZMCWYRMSA-N 320.393 -0.248 30 20 DBED NC(=O)[C@@H]1C[C@@H]1C(=O)NCC1=CCN(C(=O)C#CC2CC2)CC1 1017740036 ILUSFFRIOKPPFV-KGLIPLIRSA-N 315.373 -0.204 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@H](NCC(=O)N2CCNC(=O)C2)C1 1019238108 MPXJOAFTROVMDZ-LBPRGKRZSA-N 322.409 -0.653 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H](N[C@H](CC)C(N)=O)C2)nn1 1019482049 DPXCSJFESTUWMT-WDEREUQCSA-N 306.370 -0.468 30 20 DBED C#CCCN1CCC[C@@H](CNC(=O)c2cnc(O)n(C)c2=O)C1 1023527976 FURDAPGEIVSWAQ-LBPRGKRZSA-N 318.377 -0.049 30 20 DBED Cc1n[nH]c(C)c1CC(=O)N[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1O 1023680667 NQHGKNATFKVMTQ-BZHVJNSISA-N 319.365 -0.583 30 20 DBED C=CCN1CC[C@H](NC[C@@H]2CCCN(C(=O)CC(N)=O)C2)C1=O 1023902611 CVSQSSVGRVJJDV-STQMWFEESA-N 322.409 -0.523 30 20 DBED C=CCN1CC[C@H](NC[C@H]2CCN(C(=O)c3cnn[nH]3)C2)C1=O 1026937754 ZTNAXSICENEVDL-NEPJUHHUSA-N 318.381 -0.357 30 20 DBED N#Cc1ccc(C(=O)NC[C@@H]2CCCN2[C@H]2CCNC2=O)[nH]1 1027831484 QHRPORDYFBDDGB-AAEUAGOBSA-N 301.350 -0.031 30 20 DBED C=CCN1CC[C@@H](N2CC(CNC(=O)c3cccnn3)C2)C1=O 1032067424 XFCUXFJHZPMJHP-CQSZACIVSA-N 315.377 -0.075 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2CC(=O)Nc1nncs1 1032317586 WSLHMGCFERJPJX-UTLUCORTSA-N 320.378 -0.079 30 20 DBED C#Cc1ccc(C(=O)N(C)[C@H]2CCN(CC(=O)NC)C2)cn1 1033598446 KNHOVDSUHKUSQT-AWEZNQCLSA-N 300.362 -0.045 30 20 DBED COCCN1C[C@H](C(=O)N[C@@H]2CCCCN(CC#N)C2)CC1=O 1034232940 ZIXHBSVERMPMTR-ZIAGYGMSSA-N 322.409 -0.024 30 20 DBED C=CCN1CCCC[C@@H](NC(=O)CN2CCN(C)C(=O)C2)C1 1034278793 LXVCTDVJEKGKFL-CQSZACIVSA-N 308.426 -0.083 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CN(CC(N)=O)CCO1 1035371309 ZQMRUXFCJRYELR-XQQFMLRXSA-N 311.382 -0.730 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2CN(CC(N)=O)CCO2)cc1 1035471711 SPMXPGRDQUAKIL-AWEZNQCLSA-N 301.346 -0.416 30 20 DBED CC(C)C#CC(=O)NC[C@@]1(O)CCN(C(=O)CCCC(N)=O)C1 1039665608 OPKZQXBTLPWSIJ-INIZCTEOSA-N 323.393 -0.619 30 20 DBED Cc1n[nH]cc1C(=O)N1CC[C@](O)(CNC(=O)[C@H](C)C#N)C1 1040770704 UEWRNDOUVSXPBJ-OTYXRUKQSA-N 305.338 -0.429 30 20 DBED C=CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)c2cnccn2)C1 1041262261 SZUYFNJULHHRJQ-LLVKDONJSA-N 320.349 -0.629 30 20 DBED N#Cc1ccc(C(=O)N2CC(O)(CNC(=O)c3cn[nH]c3)C2)[nH]1 1041657840 ULADSZYELOQBIG-UHFFFAOYSA-N 314.305 -0.774 30 20 DBED Cn1cc(C(=O)N2CC[C@@]3(CCN(CC#N)C3)C2)n(C)c1=O 1041847543 AWHBWDAUNICFEM-OAHLLOKOSA-N 303.366 -0.215 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)CCc2cn(C)nn2)C1 1041973007 NZSAWPMGPWFZPY-UHFFFAOYSA-N 321.381 -0.597 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)c2ccc(F)nc2)C1 1042126680 FOVWZPKQKSTCQX-UHFFFAOYSA-N 323.324 -0.274 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(O)(CNC(=O)c2ccn(C)c2)C1 1042541283 LZHPWQMARVAODP-HNNXBMFYSA-N 321.377 -0.345 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)c2ccc(F)cn2)C1 1042697681 LKHHTUMSDMNBSQ-UHFFFAOYSA-N 323.324 -0.274 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)c2cc(C#N)c[nH]2)C1 1042936731 OJIITFICNNYRRZ-UHFFFAOYSA-N 314.345 -0.151 30 20 DBED CC(C)(C)C#CC(=O)NCC1(O)CN(C(=O)c2csnn2)C1 1042970812 YLROSFXWGGYXLN-UHFFFAOYSA-N 322.390 -0.109 30 20 DBED C=CCCCC(=O)N1CC(O)(CNC(=O)CC(=O)N(C)C)C1 1043102265 NGWZRMVEQUPOEV-UHFFFAOYSA-N 311.382 -0.490 30 20 DBED C[C@@H]1CN(C(=O)[C@@H]2COC(=O)N2)C[C@H]1Nc1cncc(C#N)n1 1043155270 RZEXPYUSYOEOJW-IEBDPFPHSA-N 316.321 -0.285 30 20 DBED C=CCn1cc(C(=O)N(C)C2CN([C@H](CC)C(N)=O)C2)nn1 1044022619 PJJPTEZUAHBWRA-GFCCVEGCSA-N 306.370 -0.516 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)[C@H](CC)N(C)C)C1 1044041344 HTTFEQCMXKRCQR-ZDUSSCGKSA-N 309.410 -0.180 30 20 DBED C=C(C)CCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCN(C)C2=O)C1 1045026715 MKXTWAJDYUYLIU-LBPRGKRZSA-N 323.393 -0.490 30 20 DBED C#CCN1CC[C@@H](N2CCN(C(=O)C3=COCCO3)CC2)C1 1045999275 HDAMASVXMTYUMY-CQSZACIVSA-N 305.378 -0.274 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)c2ccc(C(N)=O)[nH]2)C1 1046736669 GMWGDRREZWHPLN-UHFFFAOYSA-N 320.349 -0.617 30 20 DBED N#CCN1C[C@H]2C[C@@H](NC(=O)c3nnc(O)nc3O)C[C@H]1C2 1047104152 NSZALEJLPWFINA-DJLDLDEBSA-N 304.310 -0.611 30 20 DBED C#CCN1C[C@H]2C[C@H](NC(=O)c3ccc(=O)n(C)n3)C[C@H]1C2 1047194845 ZCKPHEAOXFVMDL-RWMBFGLXSA-N 300.362 -0.004 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CCCCN2C(C)=O)C1 1047557762 LINSSMXHOBORSY-JYJNAYRXSA-N 321.421 -0.086 30 20 DBED C=CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cnnn2C)C1 1048769911 VKVJEBFCEKZDQV-STQMWFEESA-N 321.381 -0.185 30 20 DBED CC(C)C#CC(=O)N1CC[C@H]([C@H](C)NC(=O)Cn2ncnn2)C1 1050672926 NDSNLXGYUFDURY-STQMWFEESA-N 318.381 -0.314 30 20 DBED CC#CCN1CCOC[C@H]1CNC(=O)c1ccc(N(C)C)nn1 1051212054 KRRVFHWIRXXBLT-CYBMUJFWSA-N 317.393 -0.004 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)[C@H]1CC[C@H]1C(N)=O)CCO2 1053373539 PRWKWBJUHTTWDE-OLZOCXBDSA-N 305.378 -0.566 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)COc1cnn(C)c1)CCO2 1053396640 DRGNEHXBPNTANX-UHFFFAOYSA-N 318.377 -0.265 30 20 DBED C#CCN1CC2(C1)CN(C(=O)c1cc(C(N)=O)ccn1)CCO2 1053558900 SCPFJLGZOHCSAT-UHFFFAOYSA-N 314.345 -0.660 30 20 DBED C=CCN1CC2(C[C@H](NC(=O)[C@H]3COCCN3CC)CO2)C1 1053853554 ISDQCAJKLSFQTI-UONOGXRCSA-N 309.410 -0.147 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)[C@@H]3CCN(C(=O)CC)C3)CO2)C1 1053976271 DKQXAHUKYOIWRK-KGLIPLIRSA-N 319.405 -0.162 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)Cc3cncn3C)CO2)C1 1053982641 MVAVKBNQYDDRLC-CYBMUJFWSA-N 302.378 -0.055 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)[C@@H]3CCc4nncn4C3)CO2)C1 1054016517 DOMGTTNJFVZJCL-VXGBXAGGSA-N 316.365 -0.676 30 20 DBED C=CCOCC(=O)N1CCC[C@@](CO)(NC(=O)c2cn[nH]c2)C1 1055795913 DWQNAJNCDAAPSK-OAHLLOKOSA-N 322.365 -0.304 30 20 DBED C=CCOCC(=O)N[C@]1(CO)CCCN(C(=O)c2cnco2)C1 1055830895 GDKWISASHFLFBX-OAHLLOKOSA-N 323.349 -0.040 30 20 DBED Cn1nncc1C(=O)NC1[C@@H]2CN(c3ccc(C#N)nn3)C[C@@H]12 1056195490 UUWRNLKIELQXHM-NXEZZACHSA-N 310.321 -0.659 30 20 DBED C=CCOCC(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)CNC(N)=O 1056221175 PJMLTTPJRLMZHU-NWDGAFQWSA-N 324.381 -0.551 30 20 DBED CN1CCO[C@@H](C(=O)N2CC[C@@H](Nc3cnc(C#N)cn3)C2)C1 1056599654 MTJBUVGJAMPBSW-DGCLKSJQSA-N 316.365 -0.308 30 20 DBED N#CCSCC(=O)N(CCO)CCNC(=O)c1cnco1 1057030487 STLQMGGRDUUNKU-UHFFFAOYSA-N 312.351 -0.518 30 20 DBED C=C[C@](C)(O)CC(=O)NCCN(CCO)C(=O)C[C@H](C)OC 1057163500 SOPMIJLKCWWMTL-WFASDCNBSA-N 316.398 -0.324 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)[C@H]1C[C@H]1C(=O)OC 1057170881 FLPZESHNWUADMQ-NWDGAFQWSA-N 312.366 -0.301 30 20 DBED C=CCC(CC=C)C(=O)NCCN(CCO)C(=O)CC(N)=O 1057244229 VNAGLWJBXUNIBJ-UHFFFAOYSA-N 311.382 -0.433 30 20 DBED C#CCOCCC(=O)NCCN(CCO)C(=O)CC(C)(C)O 1057463448 XIBZBVLLGXTRPJ-UHFFFAOYSA-N 314.382 -0.876 30 20 DBED C=C[C@H](C)[C@@H](C)C(=O)N(CCO)CCNC(=O)c1nnn(C)n1 1058437353 BPZUKZBNYSDOPE-WDEREUQCSA-N 324.385 -0.781 30 20 DBED C=C(C)C[C@H](C)C(=O)N(CCO)CCNC(=O)Cn1ncnn1 1058463911 JWZRJTSWONHOJB-LBPRGKRZSA-N 324.385 -0.788 30 20 DBED Cc1nsc(N2CC[C@H](NC(=O)[C@H]3CNC(=O)N3)C2)c1C#N 1058531463 QAMYUGPKVIRULA-WCBMZHEXSA-N 320.378 -0.301 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)C[C@H]1CCN(C)C1 1058654687 FKIPUPYNAGWUAC-CHWSQXEVSA-N 310.398 -0.575 30 20 DBED Cc1ccnn1CC(=O)NCCN(CCO)C(=O)[C@H](C)C#N 1058658766 LALOMWMXHDGXPO-LLVKDONJSA-N 307.354 -0.712 30 20 DBED Cc1nn(C)cc1CC(=O)NCCN(CCO)C(=O)[C@H](C)C#N 1058660652 FGSZMGRDXRIDHS-LLVKDONJSA-N 321.381 -0.632 30 20 DBED N#Cc1nccc(N2CCC[C@@H]2CNC(=O)[C@@H]2COCCO2)n1 1061297267 CTRYHBNMFAUTKH-NEPJUHHUSA-N 317.349 -0.151 30 20 DBED C=CCCC(=O)NC[C@H]1COCCN1C(=O)c1cnn(C)n1 1061405223 BRWIRKRARZGMPJ-NSHDSACASA-N 307.354 -0.262 30 20 DBED C#CCNC(=O)CC(=O)N1CCOC[C@H]1CNC(=O)C1(C)CC1 1061641897 VMDIMDNRHONRHL-GFCCVEGCSA-N 321.377 -0.730 30 20 DBED CC(C)C#CC(=O)N1CCOC[C@H]1CNC(=O)[C@H]1CCNC1=O 1061749482 ZVAPBWNDSKRSHK-OLZOCXBDSA-N 321.377 -0.875 30 20 DBED N#Cc1cccnc1N1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCNC1=O 1062555256 CGLHYBNXNSQZKL-AVGNSLFASA-N 311.345 -0.121 30 20 DBED C#CCNC(=O)CC(=O)NC1(CNC(=O)c2cn[nH]c2)CCC1 1062619663 YVQQZSZGRQXOSL-UHFFFAOYSA-N 317.349 -0.682 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)C2CS(=O)(=O)C2)CCC1 1063159244 IIYBLTQKDIXDBQ-SECBINFHSA-N 313.379 -0.654 30 20 DBED CC(C)C#CC(=O)NC1(CNC(=O)[C@@H]2CNC(=O)N2)CCC1 1064273168 VGXRIZFGWLISPV-NSHDSACASA-N 306.366 -0.518 30 20 DBED CC(=O)N(C)CC(=O)NC[C@@H]1CN(C(=O)C#CC2CC2)CCO1 1065134526 IHYOKEAEXNNIPV-CQSZACIVSA-N 321.377 -0.778 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)CCn2ccnn2)C1 1065557801 VLQRMPVCEGCGLX-RYUDHWBXSA-N 320.353 -0.829 30 20 DBED CN(C(=O)[C@@H]1CCOC1)[C@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1065573334 RRDTVZCPNRGUEJ-WXHSDQCUSA-N 317.349 -0.607 30 20 DBED CNC(=O)NCC(=O)N[C@H]1CCCN(C(=O)[C@H](C)C#N)CC1 1066240221 XNIGIOOUWVCQFJ-MNOVXSKESA-N 309.370 -0.428 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CCCN(C(=O)Cn2cnnn2)CC1 1066476210 WWPFFTHCKAKWOQ-MNOVXSKESA-N 305.342 -0.670 30 20 DBED Cc1nsc(N[C@H](C)[C@@H]2CN(C(=O)C(N)=O)CCO2)c1C#N 1068243568 KNGSSPHMLREFHK-SCZZXKLOSA-N 323.378 -0.164 30 20 DBED C#CCO[C@H](C)C(=O)N1CC2(CC[C@@H](CNC(=O)COC)O2)C1 1068493281 SFOPLDMVTPSAJU-OLZOCXBDSA-N 324.377 -0.453 30 20 DBED Cc1cc(CC(=O)N2C[C@H](n3ccnn3)[C@H](NCC#N)C2)no1 1070161083 UEEUATQRMXLGMJ-OLZOCXBDSA-N 315.337 -0.318 30 20 DBED N#CCN1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CCNC2=O)C1 1070420247 UPWZQWINULSFOB-ZYHUDNBSSA-N 316.365 -0.525 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)c4cncnc4O)C[C@@]3(C1)O2 1070814911 OAJDKBWJLMPOFW-HWWQOWPSSA-N 314.345 -0.269 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)Cc4cncn4C)C[C@@]3(C1)O2 1070879263 OYJZDSVQFOOCDN-YSVLISHTSA-N 314.389 -0.103 30 20 DBED C#CCCN1CCNC(=O)CCN(C(=O)c2cn(C)nn2)CC1 1070961595 VVURKSOORIFUBP-UHFFFAOYSA-N 318.381 -0.898 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)CCOCC)C1 1071936732 SPCLAUGOXUWUOU-OLZOCXBDSA-N 323.393 -0.484 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1NC(=O)CNC(=O)C1CC1 1072048466 LKCIFRVDJIWESW-RISCZKNCSA-N 317.389 -0.111 30 20 DBED N#CCN1CCC2(C1)CN(C(=O)[C@@]13C[C@H]4C[C@@H](C(=O)N1)[C@H]3C4)C2 1072879055 KNMJKHZEIFERTA-ZBYUQBLASA-N 314.389 -0.041 30 20 DBED C=CCCO[C@H](C)C(=O)NC1(C)CCN(C(=O)C(N)=O)CC1 1073227882 CHPSYOSEBDKXLA-LLVKDONJSA-N 311.382 -0.050 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(C(=O)c2cn(C)nn2)C[C@H]1C 1073819310 CGGCWLKINCWLCY-VXGBXAGGSA-N 321.381 -0.016 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(C(=O)CC(=O)NC)C[C@H]1C 1073819811 JSMSKVOLFWUJAR-NEPJUHHUSA-N 311.382 -0.322 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCN(C(=O)CNC(C)=O)C[C@H]1C 1073960430 NTVMMGBUKZJOLU-TZMCWYRMSA-N 323.393 -0.484 30 20 DBED Cn1ccc(CC(=O)N2CC[C@@H]3OCCN(CC#N)[C@@H]3C2)n1 1074239286 YHMUXLHMFZGBDC-KGLIPLIRSA-N 303.366 -0.212 30 20 DBED COCCN1C[C@@H](C(=O)N2CC[C@H](NCC#N)[C@@H]2C)CC1=O 1074675735 IDHBUUBFAWQPLR-AVGNSLFASA-N 308.382 -0.416 30 20 DBED C#CCO[C@H](C)C(=O)NCC[C@H](C)NC(=O)c1cc[n+]([O-])cc1 1076508743 DSLNZRMLPVVGDX-QWHCGFSZSA-N 319.361 -0.017 30 20 DBED C=CCCOCC(=O)N[C@@H](C)CCNC(=O)CNC(=O)NC 1076901346 BTUXKTKTUQHWQK-NSHDSACASA-N 314.386 -0.481 30 20 DBED C[C@@H](CCNC(=O)c1cc(C(N)=O)ccn1)NC(=O)[C@@H](C)C#N 1077323335 ITTPJANBAXOKFK-UWVGGRQHSA-N 317.349 -0.035 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN([C@@H](CC)C(N)=O)C[C@H]2O)cn1 1078033570 RDQOPAQWPNKFIY-HZSPNIEDSA-N 316.361 -0.898 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3nnc(C)n3C2)C1 1078219504 DBPMSEKYMSGJLC-MGPQQGTHSA-N 317.393 -0.666 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)C1(CF)CC1 1078294563 WQIBFRZMICZEGD-NSHDSACASA-N 311.357 -0.113 30 20 DBED C#CCN[C@H]1C[C@@H](NC(=O)c2cn(C)c(=O)n2C)C12CCC2 1078823027 IPQZZKAYHRZBMY-QWHCGFSZSA-N 302.378 -0.012 30 20 DBED C=CCO[C@H](C)C(=O)N1CC(N(CC)C(=O)[C@@H]2CCC(=O)N2)C1 1080182414 MBDNYCSZMBCMGQ-YPMHNXCESA-N 323.393 -0.085 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)Cc2cc[nH]n2)C[C@H]1O 1081464077 VIFWIHBHMXDTHE-TZMCWYRMSA-N 318.377 -0.453 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)Cc2cnc[nH]2)C1 1081799971 FQTSTHGSDMRPDR-WCQYABFASA-N 306.366 -0.146 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H]1CCCCN1C(=O)C(F)F 1081816930 YZBDAELUHCRMRB-JTQLQIEISA-N 315.320 -0.112 30 20 DBED Cc1cccc2c1C[C@@H](C(=O)N[C@@H]1CN(CC#N)C[C@@H]1O)O2 1083958587 MYUUFHKEHGWYBY-IPYPFGDCSA-N 301.346 -0.017 30 20 DBED C=CCCN1CC[C@@H]2CN(C(=O)[C@H]3CCS(=O)(=O)N3)[C@@H]2C1 1084838537 ONOPQUQDMXELOW-JHJVBQTASA-N 313.423 -0.213 30 20 DBED CCO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1CNCc1ncnn1C 1087035611 HNLKMFQZACMAEK-YNEHKIRRSA-N 320.397 -0.072 30 20 DBED C[C@@H]1[C@@H](NC(=O)[C@@H]2CCc3nnc(O)n3C2)CCN1CC#N 1088676344 BPYQFRZJLUESBW-MXWKQRLJSA-N 304.354 -0.351 30 20 DBED C[C@H](NC(N)=O)C(=O)N1CC[C@H](N=c2cc[nH]cc2C#N)[C@@H]1C 1090216242 KGMFMRLSBGYAIJ-NHCYSSNCSA-N 316.365 -0.167 30 20 DBED C=CCN1CC[C@@H](NC(=O)c2ccc3nn[nH]c3n2)[C@H](O)C1 1090310407 MACSEOCDHZTFMX-BXKDBHETSA-N 302.338 -0.296 30 20 DBED Cn1ncc(C2CC2)c1C(=O)N[C@H]1CCN(CC#N)C[C@@H]1O 1090315497 JQPULTLLFITOKO-STQMWFEESA-N 303.366 -0.014 30 20 DBED CCO[C@H](C)C(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1O 1090391296 HONZBUDZKSMOPI-YUSALJHKSA-N 305.338 -0.561 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCN(CCCO)C[C@H]2O)nn1 1090633091 LRFPTTBUTMOZAB-DGCLKSJQSA-N 309.370 -0.989 30 20 DBED C[C@H](NC(N)=O)C(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@H]1C 1090698818 DEBDZTRDDFAVQQ-JFGNBEQYSA-N 316.365 -0.049 30 20 DBED Cn1cnc(C(=O)N2CCC(OC3CN(CC#N)C3)CC2)n1 1093533819 ZHNWPLIZLGJNAT-UHFFFAOYSA-N 304.354 -0.356 30 20 DBED CC(=O)N1CCOC[C@@H]1C(=O)NCCNc1ccc(C#N)nn1 1093653238 LGIKNDNJTLVZKO-GFCCVEGCSA-N 318.337 -0.876 30 20 DBED Cc1nc(NCCNC(=O)[C@H]2CN(C)C(=O)N2)ccc1C#N 1094060709 POMIYWNCIRESCW-LLVKDONJSA-N 302.338 -0.187 30 20 DBED C=CCN1CC(n2cc(CNC(=O)[C@H]3CCC(=O)NC3)nn2)C1 1094300352 LEFPHOKFOHQMRM-NSHDSACASA-N 318.381 -0.537 30 20 DBED N#Cc1nccnc1NCCCNC(=O)CCn1cncn1 1094308840 NQXOTCGBIMEEMY-UHFFFAOYSA-N 300.326 -0.052 30 20 DBED N#CCN1CCN(C(=O)[C@H]2CC23CC3)[C@@H]2CS(=O)(=O)C[C@@H]21 1094663774 VZZASFOHJADQAP-GRYCIOLGSA-N 309.391 -0.380 30 20 DBED N#Cc1nccc(N(CCCNC(=O)CNC(N)=O)C2CC2)n1 1096001612 JTDIRHONRGCOBU-UHFFFAOYSA-N 317.353 -0.508 30 20 DBED C=CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN1C(=O)C(=O)N(C)C1=O 1096098962 MHWVCYKIXDGTJN-VWYCJHECSA-N 320.349 -0.686 30 20 DBED C[C@H](C(=O)N[C@H]1CCN(c2ccnc(C#N)n2)C1)S(C)(=O)=O 1096502056 JQVYLMLKOPAODZ-ZJUUUORDSA-N 323.378 -0.524 30 20 DBED N#Cc1cccnc1N[C@H](CNC(=O)CNC(N)=O)C1CC1 1096565969 QGLUMVJQORIVKF-LLVKDONJSA-N 302.338 -0.072 30 20 DBED N#Cc1nc(=N[C@@H](CNC(=O)Cn2cccn2)C2CC2)cc[nH]1 1096578673 HWVFXYVULQDLHE-LBPRGKRZSA-N 311.349 -0.026 30 20 DBED CC(=O)N[C@@H](C)C(=O)N[C@H]1C[C@@H](Nc2cncc(C#N)n2)C1 1097145171 XQTARBAUFCHTSI-INTQDDNPSA-N 302.338 -0.068 30 20 DBED Cc1cc(=N[C@H](C)CCNC(=O)[C@H]2CNC(=O)N2)c(C#N)c[nH]1 1099682934 RUAHKTPUKPMXJS-NOZJJQNGSA-N 316.365 -0.328 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)COCCOC)[C@@H](O)C1 1099747042 SDVNFJRDDVEWIP-KBPBESRZSA-N 316.398 -0.597 30 20 DBED Cc1[nH]ccc1C(=O)N[C@@H]1CCN(CC(=O)NCC#N)C[C@@H]1O 1099760330 HMRFXYFWGXZAMO-OLZOCXBDSA-N 319.365 -0.872 30 20 DBED C#CCN1CC[C@H](NC(=O)CCn2c(C)csc2=O)[C@H](O)C1 1099879302 ILXIBHOQWHIDAE-QWHCGFSZSA-N 323.418 -0.207 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)CCCF)[C@@H](O)C1 1099952615 WGQKDSUCFBCJOL-RYUDHWBXSA-N 301.362 -0.410 30 20 DBED CCc1nc(C#N)cc(N(CC)CCNC(=O)CNC(N)=O)n1 1100458499 GYTGAODBHWDGBU-UHFFFAOYSA-N 319.369 -0.479 30 20 DBED N#Cc1cnc(N2CCC[C@@H]2CNC(=O)CNC(N)=O)cn1 1100779309 GQDWUASQHKQFOV-SNVBAGLBSA-N 303.326 -0.898 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CC(CNC(=O)CN(C)CCC)C1 1100904936 OHZLAJJJPAIYCU-WLYUNCDWSA-N 322.453 -0.050 30 20 DBED CNC(=O)NCC(=O)NC[C@@H]1CCCN1c1ccnc(C#N)n1 1100914850 CSLLXJRLQPGHPY-JTQLQIEISA-N 317.353 -0.638 30 20 DBED N#Cc1nccnc1N(CCNC(=O)[C@@H]1COCCO1)C1CC1 1101285834 XOXDSZUQGOVHAN-ZDUSSCGKSA-N 317.349 -0.151 30 20 DBED Cc1cc(C#N)nc(NCCN(C)C(=O)[C@H]2CN(C)CCO2)n1 1101538344 TYEYGFVRMDICLE-CYBMUJFWSA-N 318.381 -0.142 30 20 DBED CN(CCNc1cnc(C#N)cn1)C(=O)CCn1ccnn1 1101562196 OOKWACRGTDOFIE-UHFFFAOYSA-N 300.326 -0.100 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1CCNC(=O)c1ncc[nH]1 1102954972 HTCNFXHWQZMXCB-VXGBXAGGSA-N 318.381 -0.263 30 20 DBED CNC(=O)CC(=O)N1C[C@@H](C)[C@H](CCNCC#CCOC)C1 1104110983 OUHSIYRRHUSDDF-ZIAGYGMSSA-N 309.410 -0.154 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)[C@@H]1CC(=O)N(C)C1 1104254997 TVTKGHXHBGTAKG-WDEREUQCSA-N 316.365 -0.587 30 20 DBED C=CCNCC[C@@H]1CN(C(=O)CNS(=O)(=O)NC)C[C@H]1C 1104452740 SMBVMNKHYFZJBC-VXGBXAGGSA-N 318.443 -0.700 30 20 DBED CCO[C@H]1C[C@@H]1C(=O)N1CC(n2cc(CNCC#N)nn2)C1 1105172062 YSALDUZASJEIEY-STQMWFEESA-N 304.354 -0.300 30 20 DBED CC(C)[C@@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)N=c1cc[nH]c(C#N)n1 1105276337 LXBRIRIRVGELMF-OUAUKWLOSA-N 316.365 -0.556 30 20 DBED N#CCNCc1cn(C2CN(C(=O)C34CCN(CC3)C4)C2)nn1 1105361104 QZVAWRCIXZCUMC-UHFFFAOYSA-N 315.381 -0.630 30 20 DBED CCO[C@@H](CC)C(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1 1105729740 SWVADPNTXGPJGD-QWRGUYRKSA-N 307.354 -0.526 30 20 DBED Cc1ncoc1C(=O)NC[C@H](O)CNc1nccnc1C#N 1105807649 DQYBNMWUVWTHIE-SECBINFHSA-N 302.294 -0.153 30 20 DBED Cc1cc(=NC[C@H](O)CNC(=O)CC2(O)CCC2)c(C#N)c[nH]1 1105809862 JUYDEPPRCZSLDJ-ZDUSSCGKSA-N 318.377 -0.122 30 20 DBED Cc1ccc(C(=O)NC[C@@H](O)CNc2cnc(C#N)cn2)nn1 1105826361 DBTVCSBVDLWSSE-NSHDSACASA-N 313.321 -0.351 30 20 DBED Cc1nc[nH]c1CC(=O)NC[C@@H](O)CN=c1cc[nH]cc1C#N 1105921152 YIHPDINPBAYIJP-LBPRGKRZSA-N 314.349 -0.462 30 20 DBED N#Cc1nc(=NC[C@H](O)CNC(=O)C2(C(F)F)CC2)cc[nH]1 1105976629 WUZLLCZFIARUOW-QMMMGPOBSA-N 311.292 -0.296 30 20 DBED C[C@@H](CCN=c1cc[nH]cc1C#N)NC(=O)CCNC(N)=O 1106327946 BFEREXLQJPVAPI-JTQLQIEISA-N 304.354 -0.260 30 20 DBED C[C@@H]1CCCN1CC(=O)NCc1cn(C2CN(CC#N)C2)nn1 1107209336 NMIORKDBQSQQSR-GFCCVEGCSA-N 317.397 -0.241 30 20 DBED C[C@H](CN=c1cc[nH]cc1C#N)NC(=O)[C@@H]1CCCN1C(N)=O 1107813997 UYOOOXWPFAINRJ-MFKMUULPSA-N 316.365 -0.165 30 20 DBED C[C@H](CNc1cncc(C#N)n1)NC(=O)C1CC(=O)NC(=O)C1 1107830935 AQFHYQXOPOOADZ-MRVPVSSYSA-N 316.321 -0.682 30 20 DBED C[C@@H](CNc1nccnc1C#N)NC(=O)CN1C(=O)CCC1=O 1108377198 JVBOHDAUDWOZEW-VIFPVBQESA-N 316.321 -0.586 30 20 DBED C[C@@H](CN(C)c1ccc(C#N)cn1)NC(=O)[C@H]1CN(C)C(=O)N1 1109193855 KTGJQCVTTYHYNZ-CMPLNLGQSA-N 316.365 -0.082 30 20 DBED COC[C@H](OC)C(=O)N[C@@H](CN=c1cc[nH]c(C#N)n1)C1CC1 1109974174 GMJSGCIDHUWYME-RYUDHWBXSA-N 319.365 -0.262 30 20 DBED Cn1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCC#N)n1 1110101687 AKTDWHAQVHYDTF-WXHSDQCUSA-N 316.365 -0.605 30 20 DBED CNC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC#CCOC 1110630867 XWEBBHFARNPMDK-UPJWGTAASA-N 308.382 -0.713 30 20 DBED CC[C@@H](OC)C(=O)N(C)[C@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1111178690 CFFZRILMQNAQGQ-RWMBFGLXSA-N 319.365 -0.219 30 20 DBED N#Cc1ccc(NCCN(CCO)C(=O)Cc2cc[nH]n2)nn1 1111442622 AERCUIRNZHJHPP-UHFFFAOYSA-N 315.337 -0.453 30 20 DBED C#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)NC(=O)COC)C1 1111758864 OUYANDHZIWKXIC-WWGRRREGSA-N 307.394 -0.259 30 20 DBED COCC(=O)N1C[C@@H]2CCC[C@]2(CNCC(=O)NCC#N)C1 1112220398 YGIHCIFRZCPYRI-WFASDCNBSA-N 308.382 -0.509 30 20 DBED C=CCNC(=O)NC(=O)CN1CCN(C(=O)COCC)CC1 1112602300 VXKWNTMOFVAQOG-UHFFFAOYSA-N 312.370 -0.821 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)[C@H]2COCCO2)CC1 1112620738 MUTULYVZBBLIMY-QWHCGFSZSA-N 311.382 -0.763 30 20 DBED C[C@H](NC(=O)C1=COCCO1)[C@@H](C)N=c1cc[nH]c(C#N)n1 1112892152 JHHSIJTVLCHMRO-ZJUUUORDSA-N 303.322 -0.037 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)c2c(C)ncnc2O)CC1 1113241113 AMCGZYZOVQCUTD-UHFFFAOYSA-N 319.365 -0.449 30 20 DBED CC(=O)N[C@H](C)C(=O)NC[C@H](C)N(C)c1cncc(C#N)n1 1113507844 AJIVZOTXMBLJGJ-VHSXEESVSA-N 304.354 -0.186 30 20 DBED CNC(=O)NCCC(=O)NC[C@H](C)N(C)c1nccnc1C#N 1113597429 VQXUEILSTLRRNT-JTQLQIEISA-N 319.369 -0.392 30 20 DBED C[C@@H](CNC(=O)COCCN(C)C)N(C)c1ccc(C#N)nn1 1113659372 UBUOTJTWCURHPE-LBPRGKRZSA-N 320.397 -0.133 30 20 DBED C[C@@H](CNC(=O)C[C@@H](C)NC(N)=O)N(C)c1nccnc1C#N 1113720827 UVHBZIITDPDHIG-ZJUUUORDSA-N 319.369 -0.264 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)c3ccccn3)[C@H]2C1 1113775134 PDZLOSYOAZZHDG-AVGNSLFASA-N 312.373 -0.121 30 20 DBED C=CCOCCN1C[C@H]2C(NC(=O)CS(C)(=O)=O)[C@@H]2C1 1113974168 QMQWMTBBZIYBMG-GHMZBOCLSA-N 302.396 -0.720 30 20 DBED C=CCOCC(=O)N[C@H]1[C@@H]2CN([C@@H](C)c3nnnn3C)C[C@@H]21 1114047793 MZCXCECUHJDWRI-MEWQQHAOSA-N 306.370 -0.480 30 20 DBED C#CCO[C@H](C)C(=O)NC1[C@H]2CN(CC(=O)NCC(C)C)C[C@H]12 1114273973 YGIFRFZFWQSLLP-RDBSUJKOSA-N 321.421 -0.157 30 20 DBED C#CCCN1C[C@H]2C(NC(=O)CCN3C(=O)CCC3=O)[C@@H]2C1 1114537931 LLDVOEVBCPAUQR-VXGBXAGGSA-N 303.362 -0.405 30 20 DBED C#CCCN1C[C@H]2C(NC(=O)[C@@H](CCC)S(N)(=O)=O)[C@@H]2C1 1114622162 YGRRCYBCJGSZQM-IJLUTSLNSA-N 313.423 -0.487 30 20 DBED C[C@H](C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21)C(F)(F)F 1114703068 LMWBAJJMWWNKEG-REIXXSIJSA-N 318.299 -0.129 30 20 DBED C=CCNC(=O)CNC(=O)Cc1csc(-c2nc[nH]n2)n1 1116487195 WIKXCULMAJWCHU-UHFFFAOYSA-N 306.351 -0.111 30 20 DBED C=CCCC[C@H](C)NC(=O)C(=O)NCCN1C(=O)CNC1=O 1117387204 CRSXTQRDMVCXRA-JTQLQIEISA-N 310.354 -0.485 30 20 DBED C#C[C@H](NC(=O)C(=O)NCCC(=O)NC(C)C)[C@H]1CCCO1 1117528564 JETZDNOSWFDPKR-NWDGAFQWSA-N 309.366 -0.686 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)NCCCn1cc(CO)nn1 1117617221 VIVFOWBTMMNDHP-SNVBAGLBSA-N 316.387 -0.914 30 20 DBED COC(=O)CSCCNC(=O)C(=O)Nc1cccc(C#N)n1 1118139621 PLIPQRUPNAKWFG-UHFFFAOYSA-N 322.346 -0.086 30 20 DBED CC(=O)N[C@H](C)C(=O)NC[C@@H](CO)N=c1cc(C)[nH]cc1C#N 1121177014 CQZVKIZWLKLFQA-MFKMUULPSA-N 319.365 -0.903 30 20 DBED Cc1cc(N(C)C[C@H](O)CN(C)C(=O)CC(N)=O)c(C#N)cn1 1125024346 PYZHJABOEYEIBK-LBPRGKRZSA-N 319.365 -0.607 30 20 DBED N#Cc1cc(C(=O)NCCNCC(=O)NC[C@H]2CCOC2)c[nH]1 1125994974 QYZVYIPSQIOPHK-LLVKDONJSA-N 319.365 -0.642 30 20 DBED N#Cc1nccnc1N1CC=C(CNC(=O)Cn2nccn2)CC1 1127700398 XRLPEEXATQJIMV-UHFFFAOYSA-N 324.348 -0.107 30 20 DBED CC(C)[C@@H](O)C(=O)N[C@@H]1CCc2nnc(CNCC#N)n2CC1 1127983983 GMYUCPBAAQSKHW-BXUZGUMPSA-N 320.397 -0.271 30 20 DBED C#CCO[C@@H](C)C(=O)NCc1cnn2c1CN(CCOC)CC2 1128351371 XFJUNHBZALLSEO-ZDUSSCGKSA-N 320.393 0.000 30 20 DBED C#CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H](C)COC)C1 1128807188 NJHUQLKDHWYMOZ-MJBXVCDLSA-N 305.382 -0.075 30 20 DBED C=CCn1cccc1C(=O)NCCNCc1nc(=O)n(C)[nH]1 1129513345 BYBCMBGQMNYEDL-UHFFFAOYSA-N 304.354 -0.385 30 20 DBED C#CCCN1C[C@H]2C[C@@H]3CN(C(=O)CC(=O)N(C)C)C[C@@]3(C1)O2 1131273175 FAWLVEWHIXEGON-CKEIUWERSA-N 319.405 -0.210 30 20 DBED C[C@@H]1CC[C@@H](NC(=O)CCN(C)C)CN1CC(=O)NCC#N 1132274626 XKMVBYOCOHXUMA-CHWSQXEVSA-N 309.414 -0.453 30 20 DBED C[C@H](C[C@@H](C)NC(=O)c1cccc(O)n1)NCC(=O)NCC#N 1134065469 OSUNEHOZJORTAK-GHMZBOCLSA-N 319.365 -0.087 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)Cc1cnoc1 1135265809 FKZYYAKQALJDLR-NEPJUHHUSA-N 306.366 -0.161 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)c1cccn(C)c1=O 1148309204 JOEVNOPTMRHXSV-LLVKDONJSA-N 306.366 -0.605 30 20 DBED C=CCN1CCC2(C1)CN(C(=O)CNS(=O)(=O)N(C)C)C2 1148364383 ZDBSZFZNBJHDMV-UHFFFAOYSA-N 316.427 -0.897 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)COC[C@H]2CCOC2)C1 1150394983 OATDYULBNHJCES-LSDHHAIUSA-N 310.394 -0.120 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H](C)N(CC)CCN1CCNC1=O 1153306246 GFFHXCZJXDRTOF-ZIAGYGMSSA-N 324.425 -0.124 30 20 DBED CCN(CC#N)[C@H](C)CNC(=O)C(C)(C)NS(C)(=O)=O 1155703500 FHKQTVUAMCQCEH-SNVBAGLBSA-N 304.416 -0.336 30 20 DBED C#CCNC(=O)CC(=O)NCCCN[C@H](C)c1csnn1 1156847624 BWPCVHLDULTXGU-SNVBAGLBSA-N 309.395 -0.166 30 20 DBED COCCOC[C@@H](O)CNCCCNC(=O)C#CC(C)C 1157638985 UAAIPFYITKIMMH-AWEZNQCLSA-N 300.399 -0.234 30 20 DBED C#CCO[C@@H](C)C(=O)NCCCNCC(=O)NC(=O)NCC=C 1157870252 ZXUJJMBBDLWZIV-LBPRGKRZSA-N 324.381 -0.868 30 20 DBED CN(CC#N)C[C@H]1CCCCN1C(=O)c1cnc(O)n(C)c1=O 1158305203 YAMDJSIIJLGZDL-LLVKDONJSA-N 319.365 -0.064 30 20 DBED N#CCNC(=O)CNCC1(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1164491026 XVDWHDJZBLWPFH-GHMZBOCLSA-N 323.353 -0.833 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1cnc2cccnn12 1167788749 OCYUEZIBDHFQRX-UHFFFAOYSA-N 314.349 -0.812 30 20 DBED C#CCNCCCC[C@H](C)NC(=O)Cn1ccc(O)nc1=O 1171703793 UJLLYGHQOSBUDB-LBPRGKRZSA-N 306.366 -0.153 30 20 DBED C=CCN1CC(O)(CN(Cc2ccccc2)C(=O)C(N)=O)C1 1177541361 QDHXSYYLKLEHEG-UHFFFAOYSA-N 303.362 -0.267 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)[C@@H](C)NC(=O)CC)[C@H]1C 1178758563 YWBLERRCPGLRFT-AGIUHOORSA-N 324.425 -0.218 30 20 DBED N#CCSCC(=O)N1CC[C@@H](NCC(=O)NCC2CC2)C1 1181098692 YZUSIBRBOQXBBP-GFCCVEGCSA-N 310.423 -0.040 30 20 DBED C[C@@H]1CN(C(=O)CCNS(C)(=O)=O)CC[C@H]1CNCC#N 1184525442 WPGQIPIPZVJVHH-NEPJUHHUSA-N 316.427 -0.477 30 20 DBED CC(=O)NCC(=O)N1C[C@@H](CNCC#N)C2(CCOCC2)C1 1186237245 TUQWRDXPTFKTSV-CYBMUJFWSA-N 308.382 -0.509 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)C23CCN(CC2)C3)C1 1187126255 FBHIKCLHWOBCNM-ZIAGYGMSSA-N 318.421 -0.589 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)[C@H](CC)OC)[C@@H]2C1 1187142499 ACZMWUUBIKWNCT-MJBXVCDLSA-N 307.394 -0.307 30 20 DBED Cc1ncc(C(=O)N2CC[C@H]3CN(CC(=O)NCC#N)C[C@H]32)[nH]1 1187271893 ATUXDZSXSXTWKN-WCQYABFASA-N 316.365 -0.496 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)Cc2nnc(C)o2)C1 1189962529 DXIDFKSPWVLSFU-GFCCVEGCSA-N 319.365 -0.797 30 20 DBED C#CCCN(C)[C@@H]1CCN(C(=O)Cn2ccc(O)nc2=O)C1 1191187793 GDAFHHGJOTUDIS-GFCCVEGCSA-N 304.350 -0.495 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)CCc2cnn[nH]2)C1 1192406574 KCOUGEGCCLQULY-ZDUSSCGKSA-N 320.397 -0.428 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2c(C)noc2C)C[C@H]1O 1192844424 SRHDTQOSEVIVIS-BPLDGKMQSA-N 321.377 -0.009 30 20 DBED C=C(C)CN(C)[C@H]1CCN(C(=O)[C@@H](CCC(N)=O)NC(C)=O)C1 1192879062 SVFYGBIDXCSGRF-UONOGXRCSA-N 324.425 -0.135 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCCN(Cc2nnn(C)n2)CC1 1195652534 REMFPPOLCBRTSS-AWEZNQCLSA-N 308.386 -0.429 30 20 DBED CC#CCN[C@H]1C[C@H](NC(=O)CN2C(=O)CNC2=O)C12CCC2 1203694740 KQFIJUGZXKCJNV-RYUDHWBXSA-N 318.377 -0.422 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CN(CC(=O)NC(=O)NC2CC2)C[C@H]1C 1206641676 YJPCQCAOXHPUGQ-HOSYDEDBSA-N 321.381 -0.429 30 20 DBED C#CCCN1C[C@@H](NC(=O)CCn2cc[nH]c(=O)c2=O)[C@H](C)C1 1209553837 IEAPGRBGQXLVFR-CHWSQXEVSA-N 318.377 -0.614 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)[C@@]1(C)CCOC1 1209732062 KMCANKLVXXAEPI-JMSVASOKSA-N 308.382 -0.511 30 20 DBED CC(C)N(C)CC(=O)N1CCC[C@@H](NCC(=O)NCC#N)C1 1211268017 GCDYQPJLMJLUJO-CYBMUJFWSA-N 309.414 -0.453 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)c2cc(=O)n(C)o2)C[C@H]1C 1214511639 BWUXJSJTZFXVLI-VXGBXAGGSA-N 307.350 -0.322 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2n[nH]cc2C)C[C@H]1C 1214582276 MLQDTYGIZYYZOG-FRRDWIJNSA-N 317.393 -0.094 30 20 DBED CC#CCN[C@@H]1CN(C(=O)CN2CC(=O)N(C)C2=O)C[C@H]1C 1216370321 PLNFXSGWWFKWJM-VXGBXAGGSA-N 306.366 -0.660 30 20 DBED C[C@@H]1CN(C(=O)CCC(=O)N2CCOCC2)C[C@H]1NCC#N 1216696759 RBMNGFXHVYMYAQ-CHWSQXEVSA-N 308.382 -0.415 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CNC(=O)C1CC1 1217387927 IFKZYYKCMZSART-UONOGXRCSA-N 305.378 -0.553 30 20 DBED CC(C)NC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)C#CC1CC1 1217834062 BWXASWMNPNANTR-LSDHHAIUSA-N 319.405 -0.164 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2[C@H]3CCCC[C@H]32)C1 1219416034 PYFOZCZRWPOIJJ-AQRJEWBLSA-N 321.421 -0.114 30 20 DBED C[C@H](C(=O)NC1CC1)N1C[C@H](O)[C@H](NC(=O)C#CC(C)(C)C)C1 1219589826 KLUBBQWREAANDH-BNOWGMLFSA-N 321.421 -0.136 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2nncs2)C[C@@H]1O 1219605511 UTJSPPXNAUUCJW-MXWKQRLJSA-N 310.379 -0.762 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)C1 1220112296 CALQMFDSKMONAR-XQQFMLRXSA-N 309.410 -0.278 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C[C@H](C)CC(C)C)C1 1220741959 KOEJYCATHRBWMZ-KFWWJZLASA-N 323.437 -0.031 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@H](NC(N)=O)C(C)(C)C)C1 1220759637 HLGWOXDIWOIWCR-WOPDTQHZSA-N 310.398 -0.746 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)c2nonc2C)CC1 1225653339 ULVNVSYKLDECHH-UHFFFAOYSA-N 319.365 -0.431 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC(NC(=O)[C@@]23COC[C@@H]2C3)CC1 1227464767 QGQPPZIVDJJSRJ-DCGLDWPTSA-N 319.405 -0.259 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)[C@@H]2CCO[C@H]2C=C)CC1 1229270709 MSGWRWDULKSOMB-CABCVRRESA-N 319.405 -0.093 30 20 DBED C[C@H](C#N)C(=O)N(C)C[C@H]1CCN1CCNS(C)(=O)=O 1231293349 MGWPIVPXPHNFEO-GHMZBOCLSA-N 302.400 -0.772 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCOCC2(CCOCC2)C1 1260310468 YKXUJNKVPXSLKG-UHFFFAOYSA-N 324.377 -0.592 30 20 DBED C[C@H](N)C[C@H](C)NC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1262033723 IBWMRBKDAMWGJP-GMXVVIOVSA-N 307.398 -0.573 30 20 DBED C[C@H]1CN2CCN1C[C@H]2C(=O)NCCNc1ccc(C#N)cn1 1263706763 MTRYCCKKGFQOJE-JSGCOSHPSA-N 314.393 -0.130 30 20 DBED C#CCNC(=O)C1CCN(Cc2cc(=O)n(C)c(=O)n2C)CC1 1321271190 FMSUZTDQVIKEGS-UHFFFAOYSA-N 318.377 -0.955 30 20 DBED C=CCN(C(=O)c1ccc(C(N)=O)cn1)[C@@H]1CCS(=O)(=O)C1 1321969260 SNHOISCLMVXVQG-LLVKDONJSA-N 323.374 -0.004 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCCN(C(=O)OC)CC1 1323262919 VLARHCHHHVLEJN-UHFFFAOYSA-N 311.338 -0.947 30 20 DBED CC(C)(CNC(=O)C(=O)N1CCC(C#N)CC1)S(C)(=O)=O 1323780605 AATRIHSIRQJURC-UHFFFAOYSA-N 315.395 -0.312 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)NCC(C)(C)OCC 1323997695 MWGRGESZNGKFLO-UHFFFAOYSA-N 320.411 -0.365 30 20 DBED Cc1c(C(=O)OCC(=O)NCC#N)nnn1-c1ccn(C)n1 1326213352 LAMSLMQCPHHXAM-UHFFFAOYSA-N 303.282 -0.894 30 20 DBED O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)NCCC1CC1 1326596539 LCSGRQQDIWJIJU-OUKQBFOZSA-N 320.349 -0.455 30 20 DBED C=CCCCCNC(=O)C(=O)NCCCN(C)S(C)(=O)=O 1327779103 JDEMEVIMOSOIKV-UHFFFAOYSA-N 319.427 -0.143 30 20 DBED C=C[C@H](CO)NC(=O)C(=O)Nc1cc([C@H]2CCCO2)nn1C 1328318679 YFPCTAYHFPAVIO-MWLCHTKSSA-N 308.338 -0.127 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CC[C@@](F)(CO)C2)nn1 1329223221 RPDZJXMWHLXTPM-ZDUSSCGKSA-N 311.317 -0.987 30 20 DBED CN(C[C@H](O)C1CC1)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1332255205 QQSPRJZWMCYFAC-JOLOJFPGSA-N 322.365 -0.075 30 20 DBED C#CCN1CCC[C@H](NC(=O)N[C@@H](CO)c2cnn(C)c2)C1 1334060197 NKUGNTDWFMYIBA-KBPBESRZSA-N 305.382 -0.150 30 20 DBED C#CCOCCn1nnnc1N1CCC[C@H](N2CCCC2=O)C1 1337485039 DNCZORPBMWZDOI-ZDUSSCGKSA-N 318.381 -0.086 30 20 DBED N#C[C@H]1CCCN(C(=O)C(=O)N2CCC3(CCNC3=O)CC2)C1 1338168359 CHBHOXVJWIDXBU-GFCCVEGCSA-N 318.377 -0.123 30 20 DBED O=C1NC(=O)N2CCN(C(=O)c3cccc(C#CCO)c3)C[C@@H]12 1339085532 GAEDLVRJSAVUSL-ZDUSSCGKSA-N 313.313 -0.593 30 20 DBED CC(C)OC[C@H](CO)N(C)C(=O)C(=O)Nc1cnn(CC#N)c1 1339104252 XQHXKRLAAYCWNP-LBPRGKRZSA-N 323.353 -0.411 30 20 DBED C#CCCCCNC(=O)C(=O)NCC1CCS(=O)(=O)CC1 1342059728 YZYUOEJPLWAGRJ-UHFFFAOYSA-N 314.407 -0.153 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N(C)C[C@@H]2CCC[C@H]2O)nn1 1349044730 DGFKXHZSUJTXSM-WCQYABFASA-N 321.381 -0.300 30 20 DBED C[C@@H](O)C[C@@H](C)CNC(=O)CCn1cc(C#N)c(O)nc1=O 1362009283 AIVPFLCIUUMNED-NXEZZACHSA-N 308.338 -0.266 30 20 DBED Cn1c(=O)[nH]c(NC[C@@H](CO)Cc2ccco2)c(C#N)c1=O 1363740163 XOQUIXCZYWJSAE-VIFPVBQESA-N 304.306 -0.199 30 20 DBED CS(=O)(=O)Cc1noc(CN2CC[C@@](O)(CC#N)C2)n1 1364456454 NQBSNJRAPQPDLA-NSHDSACASA-N 300.340 -0.535 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)NC[C@H]1CCCN(C(N)=O)C1 1364874272 ZQBREFSTSIAATN-WDEREUQCSA-N 317.415 -0.297 30 20 DBED COC(=O)C1(C#N)CCN(CC(=O)N[C@@H](C)C(=O)N(C)C)CC1 1365293354 BUSODRZHGVNYNE-NSHDSACASA-N 324.381 -0.642 30 20 DBED CNC(=O)NCC(=O)N(C)C1CCN(C(=O)[C@H](C)C#N)CC1 1381596698 QAFFVFAUIWCXGK-SNVBAGLBSA-N 309.370 -0.476 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CCN(C(=O)c2ccc3nn[nH]c3n2)C1 1385165873 XLODVNXETQAZGU-DTWKUNHWSA-N 313.321 -0.157 30 20 DBED C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)[C@@H]1CCNC(=O)C1 1386218288 ROASEFWAUCOMTR-GXSJLCMTSA-N 317.349 -0.353 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1cc(CN(C)C)on1 1389117260 VYNZKSORBVEEIO-NXEZZACHSA-N 323.353 -0.897 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H](C)CNC(=O)c1ccc(C(N)=O)[nH]1 1395174761 GJVHWEFAONMHCB-DTWKUNHWSA-N 305.338 -0.150 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](NC(=O)CCn1cnnn1)C(C)(C)C 1396152766 SRLJNHSYRHJMSM-QWRGUYRKSA-N 321.385 -0.130 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](NC(=O)CCCn2cncn2)C1 1396959218 ZBOZYWRPZWVGFZ-VXGBXAGGSA-N 304.354 -0.065 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CCN(C(=O)Cn2ccccc2=O)C1 1397646997 ADEDOUSEEHPEBG-CHWSQXEVSA-N 316.361 -0.027 30 20 DBED C=C(Cl)CNCC1(O)CCN(C(=O)[C@H](C)NC(N)=O)CC1 1408147407 PBYXQYOIUQIQEL-JTQLQIEISA-N 318.805 -0.261 30 20 DBED COC(=O)[C@@H]1CN(C)CCN(C(=O)[C@H](C)n2cnc(C#N)n2)C1 1412254118 XAQSBYLXVOVIEG-WDEREUQCSA-N 320.353 -0.726 30 20 DBED CC(C)[C@@H](C(=O)NCCn1cc(C#N)c(O)nc1=O)N(C)C 1413313101 UZQVPRRJWUNVKK-NSHDSACASA-N 307.354 -0.477 30 20 DBED N#Cc1cn(CCNC(=O)Cc2ccc(O)cc2)c(=O)nc1O 1418535820 CCARYEXNMPTMQG-UHFFFAOYSA-N 314.301 -0.115 30 20 DBED CCNC(=O)NC(=O)[C@H](C)NC1(CNC(=O)[C@@H](C)C#N)CC1 1420922775 STSXIRIWUDMFJW-UWVGGRQHSA-N 309.370 -0.381 30 20 DBED COC(=O)C1(C#N)CCN(S(=O)(=O)N(C)CCC#N)CC1 1424030192 ARHKUZASTPRLAM-UHFFFAOYSA-N 314.367 -0.145 30 20 DBED CC(C)(O)CC(=O)N[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1O 1428913098 PIGRYWFWESSHME-NEPJUHHUSA-N 320.349 -0.651 30 20 DBED C[C@@H](C#N)C(=O)N(CCNC(=O)c1c[nH]c(=O)cn1)C1CC1 1431914845 SKGMCZXMKCLWTD-VIFPVBQESA-N 303.322 -0.350 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]1CNC(=O)C(C)(C)S(C)(=O)=O 1432114785 AIAWRTFMMSGFQH-ZJUUUORDSA-N 315.395 -0.314 30 20 DBED C[C@@H](C#N)C(=O)NC1CN(C(=O)CNC(=O)N2CCCC2)C1 1432340611 OFBMEYNNVKDVAL-JTQLQIEISA-N 307.354 -0.722 30 20 DBED CN(CCN(C)C(=O)[C@H]1COCCO1)C(=O)c1c[nH]c(C#N)c1 1433149300 JLWUFPPUSXFXSP-CYBMUJFWSA-N 320.349 -0.168 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@@H]1C(=O)OCC1(C)C 1434576643 LPWNAPCJBTUHBF-SNVBAGLBSA-N 319.383 -0.366 30 20 DBED COC[C@H]1COCCN1C(=O)CCn1cc(C#N)c(O)nc1=O 1456128617 RPYOHCUASGDSIT-NSHDSACASA-N 322.321 -0.916 30 20 DBED C[C@@H](C(=O)NCc1cc(=O)c(O)cn1C)n1cnc(C#N)n1 1469566960 GLGCOFWOGDXGCJ-QMMMGPOBSA-N 302.294 -0.569 30 20 DBED C#CCNC(=O)CN[C@@H](CC)CNC(=O)[C@@H]1CCCCN1C 1481824288 SAWNYPHBJKCFDN-KBPBESRZSA-N 308.426 -0.296 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]1CN(C)C(=O)CN1CCCC1=O 1489710614 BDRTWIZAVCZDAB-NWDGAFQWSA-N 306.366 -0.172 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C(=O)[C@@H]1CCCN1C(N)=O)C1CC1 1497544323 KRAKZWFHINJMQO-JQWIXIFHSA-N 321.381 -0.204 30 20 DBED CN(CCNC(=O)c1cc(C#N)c[nH]1)C(=O)[C@H]1CC[C@H]1C(N)=O 1528019506 XRKMYWSIEBBCMV-MNOVXSKESA-N 317.349 -0.414 30 20 DBED C#CCN(CC(=O)O)C(=O)c1cc(N2CCNC(=O)C2)ccn1 1588415817 AONIMBFRGOIXAK-UHFFFAOYSA-N 316.317 -0.822 30 20 DBED C=CCCOCCNC(=O)C(=O)N1CCO[C@H](C(=O)O)C1 1588460531 NQZBKXLNUKZQNK-JTQLQIEISA-N 300.311 -0.993 30 20 DBED C#CCNS(=O)(=O)N1CCN(CCC(C)(C)C(=O)O)CC1 1588486178 LPQVWKDCSUJJQQ-UHFFFAOYSA-N 317.411 -0.428 30 20 DBED C=CCOC[C@H](NS(=O)(=O)C[C@H](C)C(=O)OC)C(=O)O 1588867270 YRLWOISBQIVNRL-IUCAKERBSA-N 309.340 -0.629 30 20 DBED Cc1cc(-c2nn[nH]n2)c(O)nc1C(=O)N1CCO[C@@H](C#N)C1 1591834847 TVYPBIPVBNWWBC-QMMMGPOBSA-N 315.293 -0.360 30 20 DBED C[C@@H]1CN(CCc2cn(CC(=O)O)nn2)C[C@@H](C)N1CC#N 1594532552 XYEHJNVHJOJHJW-VXGBXAGGSA-N 306.370 -0.177 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)NC2CCN(CC(=O)O)CC2)C1 1594606639 YJMJZKJIEDQGAH-CQSZACIVSA-N 310.354 -0.405 30 20 DBED C[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)C[C@@H](C(=O)O)O1 1599911488 HRDVEXMTNMRBGM-MMWGEVLESA-N 309.322 -0.505 30 20 DBED N#Cc1ccc(C(=O)N2CC(NC(=O)[C@H]3C[C@@H]3C(=O)O)C2)[nH]1 1601092383 MIECXJKPVGUYRH-UWVGGRQHSA-N 302.290 -0.452 30 20 DBED CCOC(=O)[C@@H]1CCCN(CC(=O)N(CC#N)CC(=O)O)C1 1605527401 XCUUKIPLYLXQBS-LLVKDONJSA-N 311.338 -0.302 30 20 DBED C[C@H](CNC(=O)C#CC1CC1)NCC(=O)Nc1cnccn1 1752870052 PYWTZTLWPSURIX-LLVKDONJSA-N 301.350 -0.077 30 20 DBED CCN(CC#CCOC)CCNC(=O)[C@H]1CCCN(C(N)=O)C1 1753085719 MTFSQRUSQNKBRP-AWEZNQCLSA-N 324.425 -0.135 30 20 DBED C#CCNC(=O)[C@@H](C)NCCN(C)C(=O)c1n[nH]c2c1CCC2 1753207957 GLHZEUQQIAJSNO-LLVKDONJSA-N 317.393 -0.302 30 20 DBED C=CCNC(=O)NC(=O)CNCCN(C)C(=O)c1oncc1C 1753247835 TWWICAGUQDKOEM-UHFFFAOYSA-N 323.353 -0.344 30 20 DBED C#CCNC(=O)[C@@H](C)NCCN(C)C(=O)CNC(=O)C(C)(C)C 1753259912 TXXDCTNLMCRDED-GFCCVEGCSA-N 324.425 -0.665 30 20 DBED C=CCNC(=O)[C@H](C)N1CC(NC(=O)C[C@H]2CCNC2=O)C1 1753378463 JJCFEBQESFLHGX-WDEREUQCSA-N 308.382 -0.996 30 20 DBED C#CCNC(=O)CNC[C@H](C)CNC(=O)Cc1ccn(C)n1 1753612257 BRWNGHNHHRLEQQ-LBPRGKRZSA-N 305.382 -0.946 30 20 DBED COCC#CCNC[C@@H](NC(=O)CO[C@H]1CCOC1)C1CC1 1754442137 TVXALXFKUNTVST-LSDHHAIUSA-N 310.394 -0.074 30 20 DBED C=CCN1CC[C@H](NC2(CNC(=O)[C@@H](C)NC(C)=O)CC2)C1=O 1754507826 JWYZACJZVRRTQO-YPMHNXCESA-N 322.409 -0.464 30 20 DBED C=CCNC(=O)CN1CCOC[C@H]1CNC(=O)C#CC(C)C 1754968266 ZWJFHSTZJAMBGR-CQSZACIVSA-N 307.394 -0.235 30 20 DBED C=C1CC(C)(C(=O)NC[C@@H]2COCCN2Cc2nnnn2C)C1 1754972231 XKVWYYYLSXLEJF-GFCCVEGCSA-N 320.397 -0.117 30 20 DBED C#CCCCC(=O)N1CCO[C@@H](CNCc2nc(=O)n(C)[nH]2)C1 1754999199 DMOIGIGLBVVGDR-LBPRGKRZSA-N 321.381 -0.771 30 20 DBED C=CCN1CCN([C@@H]2CCN(C(=O)C[C@H](C)NC(N)=O)C2)CC1 1755019788 RLXZAIVPNMABIG-UONOGXRCSA-N 323.441 -0.162 30 20 DBED CCNC(=O)CN1CC2(C1)CN(C(=O)C#CC1CC1)CCO2 1755048959 ACQQHPIKXJRTDZ-UHFFFAOYSA-N 305.378 -0.551 30 20 DBED C#CCNCC1(O)CCN(C(=O)[C@H](OC)[C@@H]2CCOC2)CC1 1755151490 HKNBRWROGIFSKF-ZIAGYGMSSA-N 310.394 -0.386 30 20 DBED C#CCN1CCN(CCCCCNC(=O)[C@H]2COC(=O)N2)CC1 1755172964 BYZXLTCTTRCNHW-CQSZACIVSA-N 322.409 -0.368 30 20 DBED CN(CC(=O)NCC#N)C[C@@H]1CCCN1C(=O)c1cnco1 1755196099 FFHWDPZBDNOAPE-NSHDSACASA-N 305.338 -0.149 30 20 DBED COCC#CCN[C@H](C)CN(C)C(=O)c1cn(C)c(=O)n1C 1755619639 YELGQUIJXVJVAH-GFCCVEGCSA-N 308.382 -0.576 30 20 DBED N#CCNC(=O)CNC[C@H]1CC[C@@H](NC(=O)Cc2ccon2)C1 1755726622 HZSCRQXJYVYLQU-NWDGAFQWSA-N 319.365 -0.269 30 20 DBED CCS(=O)(=O)N(C)CC(=O)N1C[C@@H](NCC#N)C(C)(C)C1 1755763851 WBJQKDMVQXHWAU-LLVKDONJSA-N 316.427 -0.382 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC[C@H]1CN(C)C(=O)c1nc[nH]n1 1755914311 FTRMCZOKTCBNOH-NEPJUHHUSA-N 319.365 -0.094 30 20 DBED C=C1CC(C)(C(=O)N[C@@H](CO)CNC(=O)[C@H]2CCNC(=O)C2)C1 1756513151 BLCKDLFYEIWJFV-NWDGAFQWSA-N 323.393 -0.538 30 20 DBED C=CCOCC(=O)N[C@]12CCC[C@H]1N(C(=O)CNC(N)=O)CC2 1756608031 LAWBFUSPWCTDSF-ABAIWWIYSA-N 324.381 -0.503 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)COCCN(C)C)C[C@H]21 1757244837 QWCLTSJGWRMQGX-MGPQQGTHSA-N 322.409 -0.216 30 20 DBED C#CCCCCC(=O)N1CC[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 1757562346 GOLATJHEKSAQIX-NEPJUHHUSA-N 309.366 -0.867 30 20 DBED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCN(C)C3)C2)C1 1781004032 VFZPSSDHWARXGV-PBHICJAKSA-N 319.405 -0.209 30 20 DBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnco3)C2)C1 1839806308 JRNWZQAITALLNW-HNNXBMFYSA-N 319.317 -0.622 30 20 DBED Cn1cc(S(=O)(=O)N2CCN(CC#N)CC2)nc1Cl 123873421 WLNZOAYGZJNQRU-UHFFFAOYSA-N 303.775 -0.097 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)Cc2cccnc2)CC1 265108087 YUNNARZYVKYSSN-UHFFFAOYSA-N 314.389 -0.092 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N[C@H](C(N)=O)C(C)(C)C 272887054 VVOCZFHBONRRMV-SECBINFHSA-N 305.400 -0.214 30 20 DBED CCO[C@@H]1C[C@@H](Nc2c(C#N)c(=O)n(C)c(=O)n2C)[C@H]1OC 275000625 NQFIIMSTZAHPNT-GMTAPVOTSA-N 308.338 -0.440 30 20 DBED CC#CC(=O)N[C@@H](C(=O)NCCN1CCOCC1)[C@H](C)CC 283318295 VOJKBWDAHPIXQU-UKRRQHHQSA-N 309.410 -0.011 30 20 DBED COC(=O)[C@@H](C/N=C(\N)N1CCN(c2ncccn2)CC1)OC 291939517 PKMPVQYFPSTLLO-LLVKDONJSA-N 322.369 -0.899 30 20 DBED C#CCO[C@H](C)C(=O)N(C)CCN(C)C(=O)[C@@H](C)OCC#C 294817054 KCJRIFJIYSOOAK-ZIAGYGMSSA-N 308.378 -0.020 30 20 DBED COc1cc(/C(O)=N/CCN2CCS(=O)(=O)CC2)on1 329640730 ZXWWTSJIWPPLGK-UHFFFAOYSA-N 303.340 -0.282 30 20 DBED O=C(C/N=C(/O)N1CC[C@@H](N2CCCC2=O)C1)N1CCOCC1 330113998 SNLXPNYQPYTILM-GFCCVEGCSA-N 324.381 -0.544 30 20 DBED C[C@H](O)[C@@H](/N=C(/O)C1CC1)C(=O)N1C[C@H]2[C@@H](C1)OCCN2C 330333102 YFTKTEMRNSDXRZ-FTYKPCCVSA-N 311.382 -0.356 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)CN(C)CC(=O)NC(C)C)C1=O 337076232 QUCWDKPFIBOZAN-CYBMUJFWSA-N 324.425 -0.312 30 20 DBED CC[C@H](C[C@H](C)CO)NS(=O)(=O)N1CCO[C@H](C#N)C1 337080832 XRMMACBSZBNOLX-QJPTWQEYSA-N 305.400 -0.158 30 20 DBED COC(=O)CCN(C(C)C)S(=O)(=O)N1CCO[C@@H](C#N)C1 337081020 XYJXNWWMOJEAJS-NSHDSACASA-N 319.383 -0.271 30 20 DBED CC[C@@H](C#N)NS(=O)(=O)c1cccc(S(N)(=O)=O)c1 339417548 RIZKHGMCQIBXRD-QMMMGPOBSA-N 303.365 -0.086 30 20 DBED C[C@H]1C(=O)N(C)CCN1CCS(=O)(=O)c1ccc(C#N)cn1 343788002 GDIYPSUTKODSAF-NSHDSACASA-N 322.390 -0.111 30 20 DBED C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N(C)C1CC1 349516558 JMKIVEHOOZHRQW-VIFPVBQESA-N 309.413 -0.368 30 20 DBED COC(=O)[C@H]1CN(C(=O)NCCn2cnc(C#N)n2)C[C@H](C)O1 357816560 NQKJNEWGEQZGOU-VHSXEESVSA-N 322.325 -0.878 30 20 DBED C=CCNc1ncc(C(=O)N2CC[C@@H]3OCC(=O)N[C@H]3C2)s1 366708040 IWHUAEWIPAVHAK-UWVGGRQHSA-N 322.390 0.471 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@@]1(C)CCS(=O)(=O)C1 407955165 QJNSDXPZHBVGPE-QWRGUYRKSA-N 323.440 -0.120 30 20 DBED C[C@H](CN)NC(=O)C(=O)N1CC(Oc2ccc(C#N)cc2)C1 419994738 HKIBRABXVAARFX-SNVBAGLBSA-N 302.334 -0.389 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H](CN)C2)C1=O 428518679 CMNWUXVFGATLRQ-JTQLQIEISA-N 308.338 -0.840 30 20 DBED Cn1c(N2CCc3ncsc3C2)c(C#N)c(=O)n(C)c1=O 445660286 ONAJKXXLFXLYNA-UHFFFAOYSA-N 303.347 -0.025 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2ccncc2F)CC1 491504242 GXHBTTVNXFBKED-UHFFFAOYSA-N 304.325 -0.272 30 20 DBED C#CCN(C)CCCNC(=O)NCc1ccc(C(N)=O)nc1 491629869 MHZDZQXCMHFUQF-UHFFFAOYSA-N 303.366 -0.065 30 20 DBED CS(=O)(=O)NCCc1ccc(C(=O)NCC#CCO)s1 520251433 CPVBITRSBTVVDP-UHFFFAOYSA-N 316.404 -0.435 30 20 DBED CCOC(=O)CC[C@H](NS(=O)(=O)N(C)CCC#N)C(=O)O 581110953 ZIRNSQJLTFWXNW-VIFPVBQESA-N 321.355 -0.537 30 20 DBED N#CCCCCCC(=O)N1CCN(C(=O)Cn2cnnn2)CC1 588280641 HIOUQISZMKAOSV-UHFFFAOYSA-N 319.369 -0.182 30 20 DBED COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)[C@@H](C)n2cnc(C#N)n2)C1 592934622 YXORXTMHXUPGFJ-OPRDCNLKSA-N 307.310 -0.907 30 20 DBED COCCN(CCC#N)S(=O)(=O)N(C)C[C@H]1C[C@@H](O)C1 599493177 KWAXEGMCDJBGBD-TXEJJXNPSA-N 305.400 -0.204 30 20 DBED CN1CCN(CCS(=O)(=O)c2ccc(C#N)cc2)[C@H](CO)C1 602903529 IMXDQUMKAVGACF-AWEZNQCLSA-N 323.418 -0.060 30 20 DBED CCN1C[C@@H](C)N(c2c(C#N)c(=O)n(C)c(=O)n2C)C[C@@H]1C 611221701 VABYEWZKPBDUHW-WDEREUQCSA-N 305.382 -0.125 30 20 DBED C=C[C@H](CO)NC(=O)C(=O)Nc1ccc(C(=O)NC)cc1OC 627650308 FRMKTQLFFNBFGM-SNVBAGLBSA-N 321.333 -0.344 30 20 DBED C=CCCS(=O)(=O)N1Cc2nnc(C)n2C[C@@H]1C(=O)O 663254020 ZJAKTJAMNHEAIZ-SECBINFHSA-N 300.340 -0.239 30 20 DBED C=CCNC(=O)CNC(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 679029260 ASDKMHDMENJKHG-SNVBAGLBSA-N 318.399 -0.988 30 20 DBED N#CCNC(=O)COC(=O)CCn1nnc2ccccc2c1=O 731238600 IYCCSEMFLNVUEY-UHFFFAOYSA-N 315.289 -0.635 30 20 DBED C#CCNC(=S)N1CCN(c2ccc(C(N)=O)cn2)CC1 758198082 MNLCZTAKIMFJDY-UHFFFAOYSA-N 303.391 -0.190 30 20 DBED N#C[C@@H]1CSCCN1CN1C(=O)NC2(CCOCC2)C1=O 774642240 KWSVQNGHEUCGEF-SNVBAGLBSA-N 310.379 -0.014 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC(n2cc([C@@H](C)O)nn2)C1 779563690 TXDBJCZVPFKNQK-RISCZKNCSA-N 303.366 -0.188 30 20 DBED C#CCOCCNC(=O)NC[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O 784349217 SZTZTMVLLZTWLU-XHDPSFHLSA-N 322.365 -0.344 30 20 DBED COC[C@@H](C#N)OC(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1 785367333 QDGPEYSPIGMLGX-DTWKUNHWSA-N 316.339 -0.831 30 20 DBED C#CCNC(=O)COC(=O)[C@](C)(O)Cn1ccc(C)cc1=O 790690122 PRZDVLVDRWPOGH-OAHLLOKOSA-N 306.318 -0.800 30 20 DBED C#CCC[C@@H](O)CNC(=O)c1ccc(S(=O)(=O)NC)o1 799083570 GRCKRMKTENTXNI-SECBINFHSA-N 300.336 -0.308 30 20 DBED C=C(Br)CNC(=O)C(=O)N[C@@H](C)C[S@@](C)=O 809221351 DCWMQYRYEWEQEJ-HYORBCNSSA-N 311.201 -0.106 30 20 DBED CC#CCS(=O)(=O)NC(=O)[C@@H](NC(=O)COC)C(C)C 810775345 BPQZECDBMSCDQI-NSHDSACASA-N 304.368 -0.757 30 20 DBED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCC#CCO 816537602 KNBZKBJYZPBQOW-UHFFFAOYSA-N 321.358 -0.773 30 20 DBED N#CCN(CC(=O)O)CC(=O)NC[C@H]1COc2ccccc2O1 833066237 RCQXNUVLGUCJKN-NSHDSACASA-N 319.317 -0.147 30 20 DBED C#CCNC(=O)CN1CCN([C@@H](C(=O)O)c2cccnc2)CC1 833365407 ICCSISUQVYKLJP-OAHLLOKOSA-N 316.361 -0.426 30 20 DBED C#C[C@H](NC(=O)N[C@H](CC)CNS(C)(=O)=O)[C@@H]1CCCO1 838559340 LSAAPXZUCJMUQD-WOPDTQHZSA-N 317.411 -0.206 30 20 DBED N#Cc1ccc(C(=O)COC(=O)[C@H]2CCS(=O)(=O)N2)cc1 845372271 ZKPFWQGUSIUTRG-LLVKDONJSA-N 308.315 -0.024 30 20 DBED C#C[C@@H](NC(=O)C(=O)N1CC[C@@H](C)C[C@H]1CN)[C@H]1CCCO1 851686048 YSCLIXDRDOZCSJ-XJFOESAGSA-N 307.394 -0.131 30 20 DBED N#CCCN1CCN(C(=O)C(=O)NCC[C@H]2CCNC2)CC1 884691504 JRCOIIWIBGYBCU-CYBMUJFWSA-N 307.398 -0.840 30 20 DBED N#C[C@@H]1CN(C(=O)NCCN2CCNCC2)CCN1C1CC1 891973785 XQVQILMXCNQIAF-CQSZACIVSA-N 306.414 -0.727 30 20 DBED Cn1cccc1C(=O)N1CCN(CC(=O)NCCC#N)CC1 915690221 FFGHIQDFWCUMNI-UHFFFAOYSA-N 303.366 -0.187 30 20 DBED CN([C@@H]1CCN(S(C)(=O)=O)C1)S(=O)(=O)CC(C)(C)C#N 915821976 KGIHRNVJTNLQNN-SNVBAGLBSA-N 323.440 -0.168 30 20 DBED C[C@H](NS(C)(=O)=O)C(=O)NCCNc1ccc(C#N)cn1 920299420 CWYYJRRHRCABGP-VIFPVBQESA-N 311.367 -0.581 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)COC(F)(F)F)CC1 932038168 JAEPIPJKXZYJOA-UHFFFAOYSA-N 321.299 -0.194 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[C@@H]3CCNC3=O)C2)[nH]1 938406488 GYDVJGXJFWAOOP-WDEREUQCSA-N 315.333 -0.647 30 20 DBED C[C@H](C#N)C(=O)N1CCCN(C(=O)c2cnn(C)c2N)CC1 940820946 WXBSYBIUXDLHKQ-SNVBAGLBSA-N 304.354 -0.164 30 20 DBED COc1cc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2OC)on1 941585514 VLIMEIKNDJDGHI-FXPVBKGRSA-N 322.321 -0.202 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCC[C@H](NC(=O)C(N)=O)C1 943488824 VVZNBNSYEDTNBN-AVGNSLFASA-N 323.393 -0.050 30 20 DBED C#CCCN1CC[C@H](NC(=O)Cn2ccc(O)nc2=O)C[C@H]1C 947511150 OALNTGLNIHHDLI-OLZOCXBDSA-N 318.377 -0.059 30 20 DBED C[C@H](C#N)C(=O)N1CCC(NC(=O)c2cc(=O)n(C)cn2)CC1 948109950 PIHISQDBKYQFTH-SNVBAGLBSA-N 317.349 -0.339 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)[C@]1(C)CCC(=O)N1)CCO2 949180646 YKLIHQKQHXYKLB-INIZCTEOSA-N 319.405 -0.018 30 20 DBED CN1CCO[C@@H](C(=O)N2CCC3(CC2)CN(CC#N)CCO3)C1 949326269 JZDAXHIMCGTWAA-CQSZACIVSA-N 322.409 -0.466 30 20 DBED N#Cc1cc(C(=O)NC[C@@H]2CCN2C(=O)[C@@H]2CCC(=O)N2)c[nH]1 949490859 JGOOMCQVOZOFCF-RYUDHWBXSA-N 315.333 -0.504 30 20 DBED COC(=O)[C@@H]1C[C@H]1C(=O)N(C)C1CN(C(=O)C#CC2CC2)C1 953873590 MAXUNCRFGDWGDX-CHWSQXEVSA-N 304.346 -0.122 30 20 DBED C=CCCn1cc(C(=O)N(C)C2CN(C(=O)CC(N)=O)C2)nn1 954381888 BDJXGNCMWXMISM-UHFFFAOYSA-N 320.353 -0.988 30 20 DBED CCN1CCO[C@@H](C(=O)N(C)C2CN(C(=O)C#CC3CC3)C2)C1 954424963 NYDDMCLKNKKSBJ-OAHLLOKOSA-N 319.405 -0.210 30 20 DBED N#Cc1ccc(C(=O)NC[C@@H]2CN(Cc3cnon3)C[C@@H]2O)[nH]1 957984935 AVUNZGMZTHKEHU-RNCFNFMXSA-N 316.321 -0.508 30 20 DBED CC#CCN1C[C@H](CNC(=O)c2cnn3cccnc23)[C@@H](O)C1 958309922 UGTWMFCCSGJSSE-JSGCOSHPSA-N 313.361 -0.225 30 20 DBED COCc1ncsc1C(=O)NC[C@H]1CN(CC#N)C[C@H]1O 958471412 JVRVPJWEBXSRFL-GXSJLCMTSA-N 310.379 -0.164 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2ccc3nnc(O)n3c2)C1 958475599 CIKLKQAMPJDRCI-NEPJUHHUSA-N 315.333 -0.909 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cncs2)C1 958669291 CIHMBNYNFVPKMA-UTLUCORTSA-N 308.363 -0.054 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](CNC(=O)c2ccc(C(N)=O)nc2)C1 958747751 CDIYAQZKGJHFAN-TZMCWYRMSA-N 318.377 -0.221 30 20 DBED O=C(Cc1cscn1)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 963210506 CPYBYLBKWBGIMW-OLZOCXBDSA-N 319.386 -0.213 30 20 DBED C[C@H](C#N)C(=O)N1CC2(C[C@@H](NC(=O)[C@@H]3[C@H]4COC[C@H]43)CO2)C1 965775882 MFRDHNGJGBIJJL-KVSVUVNWSA-N 319.361 -0.475 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CN(C(=O)COC)C[C@@H]2C)nn1 966078661 HELPVYWHUFHVSP-QWRGUYRKSA-N 307.354 -0.313 30 20 DBED CCn1cnc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)c1 969096810 WHLAQGNGJSJRTH-UMNHJUIQSA-N 305.338 -0.636 30 20 DBED C#Cc1ccc(C(=O)N[C@H](C)C2CN([C@@H](C)C(N)=O)C2)nc1 970763014 IJRCXCKOOFZBBL-MNOVXSKESA-N 300.362 -0.013 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)C[C@H]3CCNC3=O)C2)C1 972411350 YTFYZWKTKUEPGL-CZUORRHYSA-N 305.378 -0.551 30 20 DBED C=C(C)CCN1CCO[C@]2(CCN(C(=O)[C@H]3CNC(=O)N3)C2)C1 972527032 PPPPMAQYFLSYGK-CZUORRHYSA-N 322.409 -0.063 30 20 DBED Cc1cnn(CC(=O)N[C@H]2[C@@H]3CN(C(=O)[C@H](C)C#N)C[C@@H]32)c1 976230493 SFBCKVOFQNKQFR-NMKXLXIOSA-N 301.350 -0.076 30 20 DBED CN(C)c1cnc(C(=O)NCC2[C@@H]3CN(CC#N)C[C@@H]23)cn1 978142594 LAFINIZRJMBCOP-RYUDHWBXSA-N 300.366 -0.026 30 20 DBED CN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CCCN(C(=O)CC(N)=O)C1 983997539 KWUHGBDQWVXDFQ-LLVKDONJSA-N 317.349 -0.175 30 20 DBED C#CCN[C@H]1C[C@@H](C)N(C(=O)CCc2nnc(O)nc2O)C1 989088649 QYUJZGXXNNPVMT-ZJUUUORDSA-N 305.338 -0.572 30 20 DBED COC(=O)[C@@H]1C[C@@H]1C(=O)NC1CN(C(=O)c2cc(C#N)c[nH]2)C1 990456692 MVFVHEZTYXLOJN-WDEREUQCSA-N 316.317 -0.364 30 20 DBED C=CCn1cc(C(=O)NC2CN(C(=O)C[C@@H]3CCOC3)C2)nn1 991672629 DELYCUYFKDQRTR-NSHDSACASA-N 319.365 -0.169 30 20 DBED O=C(Cc1cnoc1)N[C@@H]1CCN(C(=O)C#CC2CC2)C[C@H]1O 991699427 UCOPKUXEUQOEFM-ZIAGYGMSSA-N 317.345 -0.292 30 20 DBED C#CCN[C@@H]1CCC[C@H]2CN(C(=O)Cn3c(O)nnc3O)C[C@@H]21 992867145 ABAIXONLYFBRLH-SDDRHHMPSA-N 319.365 -0.461 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)C(C)(C)C(N)=O)C[C@]2(C)C1 993039399 WONCHXRDMMQKAQ-USBNGQNGSA-N 320.393 -0.036 30 20 DBED Cn1nnc(CN[C@@H]2CN(C(=O)C#CC3CC3)CC2(C)C)n1 995791370 GMRLSHIYCODJIW-GFCCVEGCSA-N 302.382 -0.050 30 20 DBED N#CCNC1CCN(C(=O)CN2CCCCS2(=O)=O)CC1 996800757 IKJSFECXANGGIF-UHFFFAOYSA-N 314.411 -0.484 30 20 DBED O=C(NC1CN(C(=O)C#CC2CC2)C1)C1CCS(=O)(=O)CC1 1000282348 WMORDTZMERQGSA-UHFFFAOYSA-N 324.402 -0.448 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)CC(N)=O)C1 1006896246 GCKOXRZPYKUIJW-WCQGTBRESA-N 309.366 -0.584 30 20 DBED CC(C)N1CCO[C@@H](C(=O)N2CCN(C(=O)[C@@H](C)C#N)CC2)C1 1012144252 ZCYNFNNJIWSZOD-UONOGXRCSA-N 322.409 -0.074 30 20 DBED C#Cc1cncc(C(=O)NC2[C@H]3CN(C(=O)c4nc[nH]n4)C[C@H]23)c1 1013746886 BEEVXQHYEOYZRS-RYUDHWBXSA-N 322.328 -0.319 30 20 DBED C#CCN1CCC2(CC1)C[C@H]2NC(=O)CN1CC(=O)NC1=O 1016878935 AWBTVVAZOZNZRO-LLVKDONJSA-N 304.350 -0.858 30 20 DBED C[C@H](C#N)C(=O)N1CCC2(CN(C(=O)c3nccnc3N)C2)C1 1018885396 UQWXLURXGRRENB-SNVBAGLBSA-N 314.349 -0.107 30 20 DBED C[C@H](C#N)C(=O)N1CCCO[C@@H](CNC(=O)c2cnnn2C)C1 1019577161 OVTXZWLMZKXZEF-MNOVXSKESA-N 320.353 -0.678 30 20 DBED C=CCN1CCC[C@@H]1CNC(=O)c1cn(CC(=O)N(C)C)nn1 1028335355 SOISQUSBRPSTOW-GFCCVEGCSA-N 320.397 -0.254 30 20 DBED C=CCN1CC[C@H](N2CC(CNC(=O)c3ncn(C)n3)C2)C1=O 1031651671 GYUSSMLBHZIWQW-LBPRGKRZSA-N 318.381 -0.736 30 20 DBED CC1(C)C(=O)NC(=O)N1CC(=O)N1C[C@@H]2C[C@H]1CN2CC#N 1032716607 YSEQJZVQJQKTJK-UWVGGRQHSA-N 305.338 -0.875 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2CN([C@H](C)COC)CCO2)nn1 1035536419 QDQFVTUEMDMAEC-CHWSQXEVSA-N 323.397 -0.070 30 20 DBED CC#CCN1CCO[C@H](CNC(=O)c2ccc(=O)n(C)n2)C1 1035598363 WPWVJKRFLLHZIU-GFCCVEGCSA-N 304.350 -0.766 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H]2CCN2CCN2CCNC2=O)c1 1038140576 PSLFNWBIPATEJJ-GFCCVEGCSA-N 316.365 -0.284 30 20 DBED C#CCOCCC(=O)NC[C@]1(O)CCN(C(=O)COCC)C1 1039719045 MCYMPZQZPNNNFG-OAHLLOKOSA-N 312.366 -0.858 30 20 DBED CC(C)N(C)CC(=O)NC[C@]1(O)CCN(C(=O)C#CC2CC2)C1 1040103982 HVLMKKGWHLMRRQ-QGZVFWFLSA-N 321.421 -0.180 30 20 DBED C=CCCOCC(=O)N1CC[C@](O)(CNC(=O)c2cnon2)C1 1040669754 UOUAEOQXHVMWKI-AWEZNQCLSA-N 324.337 -0.645 30 20 DBED Cc1cc(C(=O)N2CC(O)(CNC(=O)C#CC3CC3)C2)n[nH]1 1042958944 POCRKFAIRJTALV-UHFFFAOYSA-N 302.334 -0.565 30 20 DBED C[C@H]1COCC[C@@H]1C(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042961429 YCXFBJGPVBKQJR-JSGCOSHPSA-N 320.389 -0.238 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)C2CCN(C)CC2)C1 1043709520 YJITTWYXGPRZDL-LLVKDONJSA-N 308.382 -0.823 30 20 DBED N#Cc1cnccc1N1C[C@H](O)[C@H](NC(=O)[C@@H]2CCOC2)C1 1043863537 BWUCXJDHLHJTEA-QKCSRTOESA-N 302.334 -0.345 30 20 DBED C=CCn1cc(C(=O)N(C)C2CN(Cc3nc(O)n[nH]3)C2)nn1 1044021759 YQTKRHSFRUMURW-UHFFFAOYSA-N 318.341 -0.756 30 20 DBED N#Cc1cc(C(=O)N2CCC[C@H]2CN[C@@H]2CCNC2=O)c[nH]1 1045001833 APWBRGZSLJUTDJ-QWHCGFSZSA-N 301.350 -0.031 30 20 DBED Cc1noc(C)c1C(=O)N1CC(O)(CNC(=O)[C@H](C)C#N)C1 1045541231 ROFNOOSPKMEXQM-MRVPVSSYSA-N 306.322 -0.246 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)[C@]23CCC[C@H]2OCC3)C1 1045545698 ANSQUZDJLGDKDV-OZVIIMIRSA-N 321.377 -0.205 30 20 DBED Cn1ncc(C(=O)N2CCN([C@H]3CCN(CC#N)C3)CC2)c1N 1046021632 BSINGCHSDKMVJQ-LBPRGKRZSA-N 317.397 -0.642 30 20 DBED C[C@@]1(NC(=O)[C@H]2CN3CC4CC3(CO2)C4)CCN(CC#N)C1 1046501073 IQWXHQQVNLKROE-RIALXRMPSA-N 304.394 -0.046 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3cnn(C)c3C2)C1 1047500952 JVGVCULIPNFFTG-RCBQFDQVSA-N 316.405 -0.338 30 20 DBED C#CCCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1nnc(O)nc1O 1049572818 OLGHOQBEIHYSRU-GHMZBOCLSA-N 317.349 -0.015 30 20 DBED N#CCN1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1CC(=O)NC(=O)N1 1049757112 ZECSGKSUJUEKSP-AXFHLTTASA-N 305.338 -0.827 30 20 DBED CC#CCN1CCC2(CC1)CN(C(=O)CN1CCOCC1=O)C2 1050548298 QTSQZJNNZUFPRK-UHFFFAOYSA-N 319.405 -0.207 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)c1ccc(C(N)=O)cc1 1051238396 MEVDEIWMNXCGNV-AWEZNQCLSA-N 301.346 -0.151 30 20 DBED N#Cc1cnc(N2CC[C@H](NC(=O)C(N)=O)[C@@H](O)C2)c(Cl)c1 1051768529 YPRVWRFBGYAVJR-UWVGGRQHSA-N 323.740 -0.852 30 20 DBED N#CCN1CCN([C@@H]2CCN(C(=O)CCc3nc[nH]n3)C2)CC1 1052005984 KKJMENBXGQERRD-CYBMUJFWSA-N 317.397 -0.521 30 20 DBED C=CCN1CCN([C@H]2CCN(C(=O)[C@]3(C)CNC(=O)C3)C2)CC1 1052056700 HAVFLMUGNJPPPS-YOEHRIQHSA-N 320.437 -0.083 30 20 DBED C[C@@]1(C(=O)N2CC[C@@H](N3CCN(CC#N)CC3)C2)CNC(=O)C1 1052057182 MSWWVVAMLXTBAZ-CJNGLKHVSA-N 319.409 -0.745 30 20 DBED N#CCN1CC2(C1)CN(C(=O)c1cnc3cccnn13)CCO2 1053462033 ZKFDHWQPDAXTEU-UHFFFAOYSA-N 312.333 -0.220 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)c3cn(C)nc3OC)CO2)C1 1053891770 YKWSUIFCHYAHLX-NSHDSACASA-N 304.350 -0.365 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCC[C@](CO)(NC(=O)COC)C1 1055706653 IXISCOPGXGCSFT-WFASDCNBSA-N 314.382 -0.306 30 20 DBED N#Cc1nccnc1N1C[C@H]2[C@H](NC(=O)Cn3ccnc3)[C@H]2C1 1056246644 SFPCKXWQMRXTPI-YABSGUDNSA-N 309.333 -0.204 30 20 DBED N#Cc1nccc(N2CCCN(C(=O)[C@@H]3COC(=O)N3)CC2)n1 1057132317 DFMKONNZLVACFR-JTQLQIEISA-N 316.321 -0.505 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)CCCCOC 1057194138 ZKPQXPOHYRXFKP-UHFFFAOYSA-N 316.398 -0.057 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)[C@@H]1CCNC(=O)C1 1057517497 UWCQJJALQWNGGM-CYBMUJFWSA-N 323.393 -0.891 30 20 DBED Cc1nccn1CC(=O)N(CCO)CCNC(=O)[C@H](C)C#N 1057644000 UEQUAAFZKBENER-LLVKDONJSA-N 307.354 -0.712 30 20 DBED C=CCCOCC(=O)N(CCO)CCNC(=O)c1cnccn1 1057919203 QNUIRURXIZIYBG-UHFFFAOYSA-N 322.365 -0.380 30 20 DBED Cn1ncc(C(=O)N(CCO)CCNC(=O)C#CC(C)(C)C)n1 1058094379 HJOYFYXDRGTMMO-UHFFFAOYSA-N 321.381 -0.585 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)Cc1ncc[nH]1 1058550079 LABCHSFFSWGRGH-UHFFFAOYSA-N 306.366 -0.307 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)c1ccncc1F 1058652611 BCYRQQSXQDVGQZ-SNVBAGLBSA-N 308.313 -0.069 30 20 DBED C#Cc1cncc(C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N)c1 1058657391 YINVUUVCFSBUFP-LBPRGKRZSA-N 314.345 -0.227 30 20 DBED Cn1nnc(C(=O)N2CC[C@H](Nc3ncc(C#N)cc3F)C2)n1 1059030403 IDQYEBYIIVJZNX-VIFPVBQESA-N 316.300 -0.058 30 20 DBED C[C@@H](C#N)C(=O)NCC[C@@H]1CCN(C(=O)CN2CCOCC2)C1 1059493275 MZEABBJZVBDIIM-UONOGXRCSA-N 322.409 -0.167 30 20 DBED N#Cc1cncc(N2CC[C@H]3[C@@H](CCCN3C(=O)C(N)=O)C2)n1 1059540848 ZOOUKWMSCRWNFF-JQWIXIFHSA-N 314.349 -0.349 30 20 DBED N#Cc1ccc(NC[C@H]2CCN(C(=O)[C@H]3CNC(=O)N3)C2)nn1 1060972404 JYESOHYIZVZMRD-MWLCHTKSSA-N 315.337 -0.710 30 20 DBED CC#CCCCC(=O)N1CCOC[C@@H]1CNC(=O)c1cnn[nH]1 1061697024 ILTPJPONFTZPPP-LBPRGKRZSA-N 319.365 -0.045 30 20 DBED CN(CC1CCN(C(=O)CC(N)=O)CC1)c1nccnc1C#N 1062211929 OUSLGCPEGKYQHC-UHFFFAOYSA-N 316.365 -0.102 30 20 DBED C=CCOCC(=O)NC1(CNC(=O)[C@@H]2CCCNC2=O)CCC1 1063373537 WHWGJDFUYQCDGJ-GFCCVEGCSA-N 323.393 -0.130 30 20 DBED N#Cc1ccc(NC[C@H]2CCCN2C(=O)[C@H]2CNC(=O)N2)nn1 1063552454 IPAHRUCRNUCHIY-GHMZBOCLSA-N 315.337 -0.567 30 20 DBED Cn1cc(C(=O)N[C@@H]2[C@H]3C[C@H]2N(c2cnc(C#N)cn2)C3)nn1 1064243053 ZZCNGDOVTKQTDB-RLCGTCKNSA-N 310.321 -0.516 30 20 DBED C=CCO[C@H](C)C(=O)NC[C@@H]1CN(C(=O)COC)CCO1 1064756342 IUOOPYSXCPZAEO-VXGBXAGGSA-N 300.355 -0.433 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)c2cnn(C)n2)CCO1 1065344623 GCDXVPRODGDSOD-NSHDSACASA-N 307.354 -0.262 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)c2nc[nH]n2)CCO1 1065447934 UFILRYZXAUFMRD-LLVKDONJSA-N 305.338 -0.579 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)[C@@H]2[C@H]3COC[C@H]32)CCO1 1065478693 AWWPYWVJGLUGDW-TTZDDIAXSA-N 320.389 -0.118 30 20 DBED N#Cc1cc(C(=O)N2CCC[C@H](NC(=O)CC(N)=O)CC2)c[nH]1 1066008540 OTMAAGGSOQZSJA-NSHDSACASA-N 317.349 -0.127 30 20 DBED C[C@@H]1C[C@@H](CN=c2cc[nH]cc2C#N)CN1C(=O)CC(N)=O 1068302926 LROCCKWCPCDMIK-MNOVXSKESA-N 301.350 -0.101 30 20 DBED CNC(=O)CC(=O)N1CC2(CN(C(=O)C#CC(C)C)CCO2)C1 1068394605 ZZDJKNZKWFMFMK-UHFFFAOYSA-N 321.377 -0.778 30 20 DBED C[C@H]1C[C@@H](N=c2cc[nH]c(C#N)n2)CN1C(=O)CS(C)(=O)=O 1069041689 OIYKKEUASLXYSX-VHSXEESVSA-N 323.378 -0.784 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)CN2CC[C@@H](C)C2)C1 1070029042 RRIWTRGRMMQURX-KFWWJZLASA-N 316.409 -0.405 30 20 DBED C[C@@]1(C(=O)N[C@@H]2CN(CC#N)C[C@@H]2n2ccnn2)CCOC1 1070064093 ATPUGFZGDLBLPR-MBNYWOFBSA-N 304.354 -0.430 30 20 DBED C=CCN1CCOC[C@@H]1c1n[nH]c(CNC(=O)c2nc[nH]n2)n1 1070591462 HBMOVDCUFNWFJM-SECBINFHSA-N 318.341 -0.588 30 20 DBED C[C@@H]1OCCO[C@@H]1C(=O)N1C[C@H]2C[C@@H]3CN(CC#N)C[C@]2(C1)O3 1070813292 MRXCAEMYLOAHQF-SQCNAZHOSA-N 321.377 -0.384 30 20 DBED C=CCCN1CCNC(=O)CCN(C(=O)C2(C(N)=O)CC2)CC1 1070993745 MWUBSTZUUWDJFN-UHFFFAOYSA-N 322.409 -0.522 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)c2c(C)n[nH]c2C)CC1 1071009238 HHJUFNYGEZJDKF-UHFFFAOYSA-N 317.393 -0.076 30 20 DBED CC#CCN1C[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)CC[C@@H]1C 1071517189 FNWHZCQQGJTXBA-RYUDHWBXSA-N 318.381 -0.631 30 20 DBED C=C(C)CCC(=O)N[C@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1C 1071553614 NARJQHLUXZYMBK-RYUDHWBXSA-N 306.370 -0.008 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CN(C(=O)C#CC(C)C)C[C@@H]1C 1072035455 LVZOEKXUSQBLCE-KBPBESRZSA-N 317.389 -0.252 30 20 DBED C=CCn1cc(C(=O)N2CC3(CCN([C@H](C)C(N)=O)C3)C2)nn1 1073042831 IPIXLXAVOUEGLJ-LLVKDONJSA-N 318.381 -0.514 30 20 DBED C=C[C@](C)(O)CC(=O)NCC[C@H](C)NC(=O)Cn1cnnn1 1076300744 SNURYIVFDLISCD-GWCFXTLKSA-N 310.358 -0.989 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)C2CCC(C(N)=O)CC2)C1 1077278410 WGNJGVTUPPESIR-NWINJMCUSA-N 307.394 -0.537 30 20 DBED C#CCOCCC(=O)N(CC)C1CN(C(=O)CC(=O)NC)C1 1079772519 XBIGCWFBZPXJMQ-UHFFFAOYSA-N 309.366 -0.778 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)CN2CCCC2=O)C[C@@H]1O 1081333004 NKKAWQLZOBGMGZ-STQMWFEESA-N 323.393 -0.490 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2ncccn2)C[C@H]1O 1081343837 IMJCAJBHFCEDJD-NWDGAFQWSA-N 320.349 -0.772 30 20 DBED COCCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1 1081413930 MZJSIYXGYCMOPK-MFKMUULPSA-N 320.349 -0.528 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(C(=O)c2ccon2)C[C@@H]1O 1081468657 MQCBNDFILPLMFM-AAEUAGOBSA-N 303.318 -0.363 30 20 DBED C#CCCN1C[C@@H](NC(=O)c2cc(OC)n(C)n2)[C@H](OC)C1 1081927505 YAAJOFQNYCOSAM-CHWSQXEVSA-N 306.366 -0.119 30 20 DBED C#CCN1C[C@@H](NC(=O)c2cncc(C(N)=O)c2)[C@H](OC)C1 1082375458 WDKBROWPSOGWCW-CHWSQXEVSA-N 302.334 -0.757 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CCc1cnn[nH]1 1083197959 RWYVWCQDCONAJE-UONOGXRCSA-N 303.366 -0.328 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCCN2C2CCOCC2)C1 1083519610 BUJHBDVIHAZZOM-PMPSAXMXSA-N 323.437 -0.023 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCCCS2(=O)=O)C1 1083522085 SSDSPSCFBCNJRZ-AGIUHOORSA-N 316.423 -0.309 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCCN2c2nccs2)C1 1083669252 AOUWYWIYFXVHRE-WOPDTQHZSA-N 321.406 -0.203 30 20 DBED Cn1cc(C(=O)N[C@@H]2CN(CC#N)C[C@@H]2O)c([C@H]2CCOC2)n1 1083675138 NIYOLJTZANAXNV-UHTWSYAYSA-N 319.365 -0.778 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCc3cnn(C)c3C2)C1 1083729352 QDOUCVVATPYGKY-BJJXKVORSA-N 316.405 -0.290 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2ccc3c(c2)OCCO3)C1 1084051004 YEVZHNZZBWFVRR-OLZOCXBDSA-N 302.330 -0.134 30 20 DBED C#CCCN1CC[C@@H]2CN(C(=O)C[C@H]3CC(=O)NC3=O)[C@@H]2C1 1084873660 OOIKKAOUATVZJM-JHJVBQTASA-N 303.362 -0.405 30 20 DBED C#CCCN1CC[C@H](NC(=O)CN2CCNC(=O)C2)[C@H]1CC 1087684883 UMBIEGITGXZLSX-UONOGXRCSA-N 306.410 -0.589 30 20 DBED C[C@H]1CC[C@H](NC(=O)CC(N)=O)CN1c1ccc(C#N)nn1 1089128035 UVNDWVYEJNWJDK-ONGXEEELSA-N 302.338 -0.303 30 20 DBED C=C(C)CCN1CC[C@H](NC(=O)c2cn(C)c(=O)cn2)[C@H](O)C1 1090443782 ZRBXTPVJHKLAMZ-GXTWGEPZSA-N 320.393 -0.089 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2ccnc3c2nnn3C)[C@@H](O)C1 1090522445 JATNECGJSMVZFA-NEPJUHHUSA-N 314.349 -0.839 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2cn(CCC)nn2)[C@@H](O)C1 1090685399 IIBWODLCLSMLFT-JSGCOSHPSA-N 305.382 -0.124 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cnn3ccc(C)nc23)[C@@H](O)C1 1090735268 WHQAXZFYNIEPAG-KBPBESRZSA-N 313.361 -0.164 30 20 DBED CO[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1NC(=O)[C@@H](C)C#N 1090864594 ISTSBQCOWPZMKK-HBNTYKKESA-N 300.322 -0.172 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)[C@H]3CCNC3=O)c3nccn32)C1 1092385567 VPZFFXXYKWZCGB-QWRGUYRKSA-N 314.349 -0.885 30 20 DBED CC(=O)N[C@H](C)C(=O)N[C@H]1[C@@H]2CN(c3nccnc3C#N)C[C@@H]21 1093207238 DNCKUEQGXFLLJX-GOONRYMUSA-N 314.349 -0.576 30 20 DBED CC(=O)N[C@@H](C)C(=O)N[C@H]1[C@@H]2CN(c3cnc(C#N)cn3)C[C@@H]21 1093207873 OBQKQNCZVMACSB-HDRXNWCYSA-N 314.349 -0.576 30 20 DBED N#CCN1CC(OC2CCN(C(=O)[C@@H]3COCCO3)CC2)C1 1093511436 WSZPTAAFILQGOK-AWEZNQCLSA-N 309.366 -0.383 30 20 DBED C#CCN1CC(OC2CCN(C(=O)[C@H]3CN(C)CCO3)CC2)C1 1093521446 PCYJORSRZAGNER-MRXNPFEDSA-N 321.421 -0.358 30 20 DBED CN1C(=O)CCC[C@H]1C(=O)NCCNc1nccnc1C#N 1093786450 YKRDEIJSHWSGNO-NSHDSACASA-N 302.338 -0.113 30 20 DBED CC(C)c1nnnn1CC(=O)NCCNc1nccnc1C#N 1094170427 CJJNIODGLBWYCS-UHFFFAOYSA-N 315.341 -0.314 30 20 DBED CC#CCN1CC(n2cc(CNC(=O)c3cncn3C)nn2)C1 1094304283 YHQNIDAPZCNTBT-UHFFFAOYSA-N 313.365 -0.178 30 20 DBED C#CCCN1CCN(C(=O)[C@@H](C)C#N)[C@@H]2CS(=O)(=O)C[C@@H]21 1094614838 QZGWLHSHSKYKDT-RWMBFGLXSA-N 309.391 -0.521 30 20 DBED C#CCCN1CCN(C(=O)[C@H]2C[C@@H]2C)[C@@H]2CS(=O)(=O)C[C@@H]21 1094653552 LUYOIUWROBIVBE-XDQVBPFNSA-N 310.419 -0.025 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)[C@]3(F)CCOC3)CC2=O)C1 1094778007 ISYOKPQXFBIZQB-ABAIWWIYSA-N 311.357 -0.298 30 20 DBED C[C@]1(C(=O)NCCCN=c2cc[nH]c(C#N)n2)CCNC1=O 1094780917 KIMJFPMWIQGLOA-CQSZACIVSA-N 302.338 -0.785 30 20 DBED Cc1cc(C#N)nc(N2CCC(NC(=O)CC(N)=O)CC2)n1 1095400261 QMVKWKRSMBFIPS-UHFFFAOYSA-N 302.338 -0.383 30 20 DBED CNC(=O)NCCC(=O)NCCCN(C)c1ccc(C#N)nn1 1095537310 IFHQDTXCSAHIFV-UHFFFAOYSA-N 319.369 -0.390 30 20 DBED CS(=O)(=O)CC(=O)N[C@H]1C[C@@H](Nc2nccnc2C#N)C1 1097153973 UNKJEQWHBBLHKC-DTORHVGOSA-N 309.351 -0.548 30 20 DBED N#Cc1ccc(N2CCC[C@H](CNC(=O)CNC(N)=O)C2)nc1 1097286769 QWFQCLACCJKHLN-GFCCVEGCSA-N 316.365 -0.046 30 20 DBED C[C@H](NC(=O)CC(N)=O)[C@H]1CCCN(c2cnc(C#N)cn2)C1 1097519699 YTBKXIOBVCOLAD-QWRGUYRKSA-N 316.365 -0.055 30 20 DBED C[C@@H](NC(=O)C(N)=O)[C@@H]1CCCN(c2ccc(C#N)nn2)C1 1097548246 SIUMIZFARRCEDK-NXEZZACHSA-N 302.338 -0.445 30 20 DBED Cc1cc(=N[C@H](C)CNC(=O)[C@@H]2COC(=O)N2)c(C#N)c[nH]1 1097817684 VCWBJEREZCZDDA-SKDRFNHKSA-N 303.322 -0.291 30 20 DBED C[C@H](CNC(=O)C[C@H]1CCNC1=O)Nc1ccc(C#N)nn1 1098097708 KZCOBRQHXWJQIA-NXEZZACHSA-N 302.338 -0.209 30 20 DBED C[C@@H](CNC(=O)CN1CCOCC1=O)Nc1ccc(C#N)nn1 1098356419 QAIYIPGCFRSNCL-JTQLQIEISA-N 318.337 -0.876 30 20 DBED C#Cc1ccc(C(=O)N2CCC(N(CCO)CCO)CC2)nc1 1098536197 CQYQYJHQUCXWAQ-UHFFFAOYSA-N 317.389 -0.046 30 20 DBED C=C(Cl)CNCc1cn([C@H]2CCN(C(=O)C(N)=O)C2)nn1 1098705840 LLZBIYNESJWUBX-JTQLQIEISA-N 312.761 -0.621 30 20 DBED C=CCNCc1cn([C@@H]2CCN(C(=O)C3(C(N)=O)CC3)C2)nn1 1098706200 VAHCIQCJMARDAZ-GFCCVEGCSA-N 318.381 -0.407 30 20 DBED C#CCNCc1cn([C@@H]2CCN(C(=O)c3ccnnc3)C2)nn1 1098740272 NVCYCMNRYOSVQR-CQSZACIVSA-N 311.349 -0.122 30 20 DBED C[C@H](CCNC(=O)[C@@H]1COCCO1)N=c1cc[nH]c(C#N)n1 1098901908 WXQNAGBCRHLXIO-MNOVXSKESA-N 305.338 -0.508 30 20 DBED C[C@H](CCNC(=O)Cn1cnnc1O)Nc1ccc(C#N)nn1 1098989191 KAJSFMVFQSCCLF-SECBINFHSA-N 316.325 -0.348 30 20 DBED C[C@@H](CCNC(=O)[C@@H]1CN(C)CCO1)Nc1cncc(C#N)n1 1098998783 QAZIVMXIQSBGTL-AAEUAGOBSA-N 318.381 -0.014 30 20 DBED CC(=O)N1CC(C(=O)NCC[C@H](C)N=c2cc[nH]c(C#N)n2)C1 1099010624 JMQVDEXSWVOYRJ-JTQLQIEISA-N 316.365 -0.445 30 20 DBED C[C@H](CCNC(=O)CO[C@@H]1CCOC1)N=c1cc[nH]c(C#N)n1 1099545893 LEGNGBJUVFFJCP-VXGBXAGGSA-N 319.365 -0.118 30 20 DBED C[C@@H](CCNC(=O)c1nnn(C)n1)Nc1cnc(C#N)cn1 1099618948 GQXZBVOSNQVCPW-QMMMGPOBSA-N 301.314 -0.508 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)C(CC)CC)[C@H](O)C1 1099696368 XHRIUADRSVNZPO-ZIAGYGMSSA-N 309.410 -0.277 30 20 DBED C/C(=C/C(=O)N[C@@H]1CCN(CC(=O)NCC#N)C[C@H]1O)C1CC1 1099715901 MKHWOVWHFUJJHM-RDNHTORASA-N 320.393 -0.466 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCN(CCCC=C)C[C@H]1O 1099788374 DJVMMJMOPQDVAC-ZIAGYGMSSA-N 307.394 -0.357 30 20 DBED C#CCNC(=O)CC(=O)NCC1CC(NCc2cnns2)C1 1100262711 DYQKWHKJBRTQLC-UHFFFAOYSA-N 321.406 -0.338 30 20 DBED CCN(CCNC(=O)[C@H]1CCNC(=O)C1)c1nccnc1C#N 1100499123 WKIHFXHASFJDBC-NSHDSACASA-N 316.365 -0.183 30 20 DBED C=CCNC(=O)CNCC(C)(C)C1CCN(C(=O)C(N)=O)CC1 1101569126 UTMRLJKELZZKPY-UHFFFAOYSA-N 324.425 -0.372 30 20 DBED CNC(=O)NCCC(=O)N(C)CCNc1ccc(C#N)nn1 1101574384 HTZZRZYGQJJOLH-UHFFFAOYSA-N 305.342 -0.462 30 20 DBED CN(CCNc1cnc(C#N)cn1)C(=O)CN1CCOCC1 1101577560 VKKCCZVGHYFXHV-UHFFFAOYSA-N 304.354 -0.449 30 20 DBED CN(CCNc1nccnc1C#N)C(=O)c1cnn(C)c1N 1101578886 BSCPHWFPNZGJOG-UHFFFAOYSA-N 300.326 -0.152 30 20 DBED CC(C)(C(N)=O)C(=O)N[C@@H]1CC2(CN(CC#N)C2)n2ccnc21 1101632755 PURFCDZFBCAZBG-SNVBAGLBSA-N 316.365 -0.510 30 20 DBED CN(CCN=c1cc[nH]cc1C#N)C(=O)[C@H]1CC[C@H]1C(N)=O 1101892767 HHUTWLBDUUPRJY-NEPJUHHUSA-N 301.350 -0.243 30 20 DBED C[C@@H]1CN(Cc2nnnn2C)C[C@H]1CNC(=O)C#CC1CC1 1101951404 OLITWKWGMFSDKS-DGCLKSJQSA-N 302.382 -0.192 30 20 DBED CC(=O)NCC(=O)N[C@@](C)(CN=c1cc[nH]c(C#N)n1)C1CC1 1103474014 CQFHHEFKIGOMOC-HNNXBMFYSA-N 316.365 -0.397 30 20 DBED Cc1cc(C#N)nc(NC[C@H](C)CNC(=O)[C@H]2COC(=O)N2)n1 1103945351 PMWATLQUIHWUJP-LDYMZIIASA-N 318.337 -0.071 30 20 DBED COCCC(=O)NC[C@@H]1CN(c2ccnc(C#N)n2)CCO1 1104284928 RBDSDJMHJAKDLB-LLVKDONJSA-N 305.338 -0.294 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(n2cc(CNCCCO)nn2)C1 1105223745 HOCVICGVAHYVMU-HNNXBMFYSA-N 323.397 -0.540 30 20 DBED COCCCC(=O)NC[C@@H](O)CNc1nc(C)cc(C#N)n1 1105722647 UBFBDWQRALITGT-GFCCVEGCSA-N 307.354 -0.028 30 20 DBED COc1cc(C(=O)NC[C@@H](O)CNc2cncc(C#N)n2)on1 1105794158 BRCJQEGAEYYVGO-VIFPVBQESA-N 318.293 -0.452 30 20 DBED N#Cc1nc(=NC[C@@H](O)CNC(=O)/C=C\c2ccc[nH]2)cc[nH]1 1105812167 BDFQQVJESFRXDJ-VSQXVHSFSA-N 312.333 -0.299 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](O)CNC(=O)c2ncccn2)n1 1105933929 DHTINCPBAIWNNY-NSHDSACASA-N 313.321 -0.351 30 20 DBED CNC(=O)NC(=O)CNC[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1C 1105945892 HQULIFXHFXHXRW-HBNTYKKESA-N 309.370 -0.714 30 20 DBED Cc1cc(=NC[C@@H](O)CNC(=O)C(C)(C)C(N)=O)c(C#N)c[nH]1 1105999706 SZWSUEXTGHWVBC-LLVKDONJSA-N 319.365 -0.916 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)c1cnn(C)c1N 1106741780 DXBXZWLRYKIVFL-UHFFFAOYSA-N 314.353 -0.340 30 20 DBED CC(C)(C(N)=O)C(=O)NC/C=C\CN=c1cc[nH]cc1C#N 1107386457 JEEPCUKWFGOMRI-ARJAWSKDSA-N 301.350 -0.029 30 20 DBED C[C@H](CNc1nccnc1C#N)NC(=O)[C@@H]1CCCN1C(N)=O 1107813483 JLJNYHPFOKYJSH-KOLCDFICSA-N 317.353 -0.192 30 20 DBED CC#CCN1CCO[C@@](C)(CNC(=O)C[C@H]2CC(=O)NC2=O)C1 1108446874 MGQDJAOUKFBVLS-LRDDRELGSA-N 321.377 -0.730 30 20 DBED C#CCCN1CC(N2C[C@@H](NC(=O)[C@H](C)OCC#C)CC2=O)C1 1108545767 FQMNYPHMWOSMBN-KBPBESRZSA-N 317.389 -0.551 30 20 DBED C[C@@H](CNc1cnc(C#N)cn1)NC(=O)[C@H]1CCC(=O)N1C 1108662652 GZMILVKHURMEHQ-GXSJLCMTSA-N 302.338 -0.114 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)CN(C)c1ncc(F)cn1 1108940652 GSIVVMCMVXCICC-SNVBAGLBSA-N 307.329 -0.304 30 20 DBED N#Cc1nccc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)CCc2cnn[nH]2)n1 1109742216 XDVWFOFOEIIIRG-VPJDZLOFSA-N 324.348 -0.208 30 20 DBED CNC(=O)CC(=O)N[C@H](CNc1ccc(C#N)nn1)C1CC1 1109842081 REURUQQHBJKUGZ-LLVKDONJSA-N 302.338 -0.209 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H]1CCC(=O)N1 1110004390 KASVMVAYPLRKHN-RFGFWPKPSA-N 305.378 -0.364 30 20 DBED Cc1cc(C#N)nc(NC2(CNC(=O)[C@H]3COC(=O)N3)CC2)n1 1110121762 MIKFACBJZPTBSU-SNVBAGLBSA-N 316.321 -0.174 30 20 DBED CN(C)C(=O)CC(=O)NCC1(Nc2ccnc(C#N)n2)CC1 1110361877 GXKQALVMVIDCKM-UHFFFAOYSA-N 302.338 -0.113 30 20 DBED C[C@@H](Nc1nccnc1C#N)[C@H]1CCN(C(=O)CNC(N)=O)C1 1111206142 VPEDHDPKSGDCEC-ZJUUUORDSA-N 317.353 -0.335 30 20 DBED COC[C@H](OC)C(=O)N(CCO)CCNc1cncc(C#N)n1 1111557131 JIFBFSCBECDXGM-LBPRGKRZSA-N 323.353 -0.758 30 20 DBED N#Cc1cncc(NC2(CNC(=O)[C@@H]3CCNC3=O)CCC2)n1 1111880510 CQCLOYFRURSOAH-LLVKDONJSA-N 314.349 -0.065 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)c2nccnc2N)CC1 1112721933 WKFXVHOREHTMNS-LLVKDONJSA-N 318.381 -0.493 30 20 DBED C[C@@H]1OCC[C@@]1(C)C(=O)N1CCN(CC(=O)NCC#N)CC1 1113137584 ZJLXMOGRPNDYPB-SWLSCSKDSA-N 308.382 -0.415 30 20 DBED C[C@@H]1CCCN1CC(=O)N1CCN(CC(=O)NCC#N)CC1 1113344055 KVMFRIUIFUCQRX-CYBMUJFWSA-N 307.398 -0.745 30 20 DBED CC(=O)N[C@@H](C)C(=O)NC[C@H](C)N(C)c1ccc(C#N)nn1 1113508869 MYUPQABPFRVXCF-UWVGGRQHSA-N 304.354 -0.186 30 20 DBED COCCOCC(=O)NC[C@H](C)N(C)c1cnc(C#N)cn1 1113539091 IMVKINKVYKFDMK-NSHDSACASA-N 307.354 -0.048 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)[C@H](C)CCOC)CC1 1113653056 RIQIFLBEVISCDY-KGLIPLIRSA-N 309.410 -0.059 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)CC)[C@H]2C1 1113759423 DPXVTTMIWQZMOL-DCAQKATOSA-N 308.382 -0.157 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1[C@@H]2CN(CC(=O)NC3CCOCC3)C[C@@H]21 1114064141 MWYQNDCYBTWHMG-MUYACECFSA-N 320.393 -0.512 30 20 DBED C#Cc1cncc(C(=O)NC2[C@@H]3CN(CCOCCO)C[C@@H]23)c1 1114808519 SLULOCWNNNLNFC-HUUCEWRRSA-N 315.373 -0.268 30 20 DBED C=C(C)CN1C[C@@H]2C(NC(=O)CCn3cc[nH]c(=O)c3=O)[C@H]2C1 1114987077 UJAMWWWVSDYEEN-RYUDHWBXSA-N 318.377 -0.451 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)Cn3ccnc3)[C@H]2C1 1115343539 LBMXZLNOQAXYBO-AVGNSLFASA-N 317.393 -0.380 30 20 DBED C=CCNC(=O)[C@@H](C)OC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1116347593 QXUBVYYNBLWXOA-SECBINFHSA-N 309.278 -0.010 30 20 DBED C=CCN1CCC(NC(=O)C(=O)N(C)CCNC(C)=O)CC1 1118217058 NGAMRJRZTNCRLE-UHFFFAOYSA-N 310.398 -0.653 30 20 DBED CO[C@@H](CNC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1)C(C)C 1119136486 JATIVYINTHDGGA-KBPBESRZSA-N 322.409 -0.028 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)[C@H]2COCCO2)cn1 1121135586 FENKZDOPUJMFFN-QWHCGFSZSA-N 306.322 -0.742 30 20 DBED N#Cc1nccnc1N[C@@H](CO)CNC(=O)C[C@@H]1COC(=O)C1 1121302587 FGLDZIIMOPVXJC-VHSXEESVSA-N 319.321 -0.810 30 20 DBED CCn1nccc1C(=O)NC[C@H](CO)Nc1nccnc1C#N 1121375376 AVKZURMRQZCUSZ-SNVBAGLBSA-N 315.337 -0.233 30 20 DBED CCOCCOCC(=O)NC[C@@H](CO)Nc1ccc(C#N)cn1 1121675660 GNIOMJOXDBEJQC-ZDUSSCGKSA-N 322.365 -0.105 30 20 DBED Cn1ncc(C(=O)NC[C@@H](CO)Nc2ncc(C#N)cc2F)n1 1121770599 MDEZAULODZNBEX-VIFPVBQESA-N 319.300 -0.576 30 20 DBED COCCC[C@H](C)C(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1 1121985387 RKFBYALNHOOCOM-NWDGAFQWSA-N 321.381 -0.278 30 20 DBED Cc1coc(C(=O)NC[C@H](CO)N=c2cc[nH]c(C#N)n2)c1 1122430206 NLYNVJYWNBTVRG-SNVBAGLBSA-N 301.306 -0.126 30 20 DBED CNC(=O)NCC(=O)NC[C@@H](CO)Nc1cccc(F)c1C#N 1122785059 VXCZWOIMNGUINH-VIFPVBQESA-N 323.328 -0.485 30 20 DBED N#Cc1nc(=N[C@H](CO)CNC(=O)[C@@]23CCC[C@@H]2C3)cc[nH]1 1122996655 IOQXKOMSAZWQLP-JRPNMDOOSA-N 301.350 -0.151 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CCCN(c2ccnc(C#N)n2)[C@H]1C 1123538639 NQEOLPFFBADMQE-WDEREUQCSA-N 316.365 -0.042 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)CSC(C)C 1123773881 COKJBDNQXGFFCW-UHFFFAOYSA-N 316.427 -0.154 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]cc1C#N)C(=O)Cn1cccn1 1124117858 YWQXBIFURRMDII-CYBMUJFWSA-N 314.349 -0.497 30 20 DBED CCCCOCC(=O)N(C)C[C@H](O)CN=c1cc[nH]c(C#N)n1 1124199910 HYZVMDMRHUTZID-GFCCVEGCSA-N 321.381 -0.182 30 20 DBED CNC(=O)CC(=O)NCCN(CCOC)c1ccc(C#N)cn1 1126308139 JYJGTIHPOAPVRD-UHFFFAOYSA-N 319.365 -0.342 30 20 DBED CC(C)(C)C#CC(=O)NCCNCC(=O)NC(=O)NC1CC1 1126893378 MHXVFXPQLVVIFN-UHFFFAOYSA-N 308.382 -0.270 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)Cc1ccn(CC)n1 1127731402 QEEBTZWBRNCDKG-LBPRGKRZSA-N 305.382 -0.711 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1cc(C)nnc1C 1128284996 RIISXYLMARIMNE-LBPRGKRZSA-N 303.366 -0.449 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)[C@H](C2CC2)N(C)C)C1=O 1129443039 GXEFSQNEOKCPEZ-KGLIPLIRSA-N 308.426 -0.181 30 20 DBED C=CCCN[C@@H]1CN(C(=O)CN(C)C(C)=O)C[C@@H]1n1ccnn1 1129613210 OMLUJMKUMNOSJH-KGLIPLIRSA-N 320.397 -0.326 30 20 DBED C=CCCN[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@@H]1n1ccnn1 1130007137 BFVHDFOSKNILRX-XQHKEYJVSA-N 318.381 -0.683 30 20 DBED C#CCCN1CC[C@@H](c2n[nH]cc2CNC(=O)CC(=O)NC)C1 1130381528 ZXJFKKLCGHDBRR-GFCCVEGCSA-N 317.393 -0.025 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1cc(C)nnc1CC 1130451962 LJTGIZZRVZFMRD-UHFFFAOYSA-N 305.382 -0.031 30 20 DBED CC(=O)N(C)CC(=O)N1C[C@H]2C[C@@H]3CN(CC#N)C[C@]2(C1)O3 1131194754 RTQOXSUUVIBXDK-UMVBOHGHSA-N 306.366 -0.710 30 20 DBED COCCOCCC(=O)N1C[C@H]2C[C@@H]3CN(CC#N)C[C@]2(C1)O3 1131295042 YTZVDPQSCYOXPH-IIAWOOMASA-N 323.393 -0.135 30 20 DBED C[C@H]1CC[C@@H](NC(=O)c2cc[nH]n2)CN1CC(=O)NCC#N 1131813511 OXIHPVAXXVAMRS-WDEREUQCSA-N 304.354 -0.368 30 20 DBED C#CCCN1C[C@H](NC(=O)CNS(=O)(=O)NC)CC[C@@H]1C 1132199304 HKLZQKFKEPYCOB-NWDGAFQWSA-N 316.427 -0.967 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)CCCF 1132470567 HAYJPWWXTABYRJ-SNVBAGLBSA-N 302.350 -0.158 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)c1cn(C)nn1 1134269779 JNZAOYJOYSOOQQ-MNOVXSKESA-N 306.370 -0.949 30 20 DBED COc1nc(C(=O)N[C@H](C)C[C@H](C)NCC(=O)NCC#N)co1 1135093529 WQKWMRIVUDLQMC-VHSXEESVSA-N 323.353 -0.191 30 20 DBED COCC#CCN[C@@H](C)C[C@@H](C)NC(=O)CN1CC(=O)NC1=O 1135692267 HSZMKZPAFBCJEZ-NWDGAFQWSA-N 324.381 -0.939 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)[C@@H]1CCOC1)C2 1147106508 RJQSYTLGAOURQR-CYBMUJFWSA-N 305.378 -0.693 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CCCCN(C)C1=O 1147639238 OTPXVPJLWVCEJD-CHWSQXEVSA-N 322.409 -0.911 30 20 DBED Cn1cnnc1CN1CCCO[C@H](CNC(=O)C#CC2CC2)C1 1149695126 YQRHHWFIZBBCGL-CQSZACIVSA-N 317.393 -0.064 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)Cn2ccccc2=O)C1 1150700685 ZAOMAPQYMLUIDO-AWEZNQCLSA-N 303.362 -0.311 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)[C@H]1CCc2c[nH]nc2C1 1151729205 DAYXXCMWZOORSA-RYUDHWBXSA-N 319.409 -0.089 30 20 DBED C#CCOCCC(=O)NC[C@@H](C)N(CC)CC(=O)NC(N)=O 1153302964 YZJJXZOZPPSJCY-LLVKDONJSA-N 312.370 -0.952 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1ccccc1N(C)C 1153414180 PAFRULIMNOUCNY-UHFFFAOYSA-N 302.378 -0.179 30 20 DBED C=CCNC(=O)CNCCCNC(=O)c1cc(C(N)=O)cn1C 1161894751 FSZQPJVDPBOFOS-UHFFFAOYSA-N 321.381 -0.864 30 20 DBED C=CCNC(=O)CNCCCNC(=O)C[C@@H]1CCCC(=O)N1 1162172688 WIZKPIOBHLVCRD-LBPRGKRZSA-N 310.398 -0.557 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)c1cc(OC)ccn1 1163778506 TZCJRZQDURBTRH-GFCCVEGCSA-N 318.377 -0.062 30 20 DBED CC#CCNCC1(CCNC(=O)CN2CCNC(=O)C2)CC1 1166560473 MXUAJZIUWANKHB-UHFFFAOYSA-N 306.410 -0.682 30 20 DBED COCC#CCNCC1(CCNC(=O)C2(C(N)=O)CC2)CC1 1166935393 PKLMVHSIMBHDML-UHFFFAOYSA-N 307.394 -0.222 30 20 DBED C#CCNC(=O)CNCC1(CCNC(=O)c2cccnn2)CC1 1167511700 UQTVKMDXXBZGMB-UHFFFAOYSA-N 315.377 -0.284 30 20 DBED Cc1c[nH]c(C(=O)N2CC[C@H](NCC(=O)NCC#N)[C@@H]2C)n1 1179688985 QVKGMSGVIULFLL-QWRGUYRKSA-N 304.354 -0.450 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N[C@@H]1CCN(C(=O)C2CC2)C1 1180587994 XFRYWQGGJYRAKR-CMPLNLGQSA-N 308.382 -0.013 30 20 DBED C#CCNC[C@]1(C)CN(C(=O)CN2CCOCC2=O)C[C@H]1C 1181746906 ZNDNDHOVRCPHPH-CZUORRHYSA-N 307.394 -0.447 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CCNC(=O)C2)C1 1181988596 CXYIEGKKEHVMMF-VXGBXAGGSA-N 308.382 -0.995 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2c(F)cncc2F)C1 1182898072 OAHJRJWYZYRMFP-SNVBAGLBSA-N 322.315 -0.087 30 20 DBED C#CCNC(=O)CNC[C@]1(C)CN(C(=O)c2cnon2)C[C@H]1C 1182941310 FURGUDLDWAMDKQ-IAQYHMDHSA-N 319.365 -0.493 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](N(C)Cc2cnns2)C1 1189760917 RCCITMAPRNHSCZ-LLVKDONJSA-N 321.406 -0.290 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)C2CN(C(C)=O)C2)C1 1189846666 GHXXUCNXNLFNGP-CQSZACIVSA-N 322.409 -0.700 30 20 DBED Cc1ccoc1C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1O 1191004333 GUMKFNPLNLWNFA-GHMZBOCLSA-N 306.322 -0.997 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)CCCC#CC)C1 1195467820 VUAANYUEKRPUHZ-ZIAGYGMSSA-N 307.394 -0.357 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H](CC(C)C)NC(C)=O)C1 1197984534 NWRRUCKKBVSRER-RBSFLKMASA-N 309.410 -0.278 30 20 DBED COCCOc1ncccc1C(=O)N[C@@H]1CN(CC#N)C[C@H]1O 1199028931 ALZOFLWIVSLKQG-CHWSQXEVSA-N 320.349 -0.595 30 20 DBED C#CCNC(=O)[C@H](C)NC1CCN(C(=O)Cc2ccon2)CC1 1199911330 MCTWFPGLLPHMQZ-LBPRGKRZSA-N 318.377 -0.064 30 20 DBED C#CCNC(=O)CC(=O)N1CCC(NCc2nccn2C)CC1 1200170543 BAKZCJLRLBYXSZ-UHFFFAOYSA-N 317.393 -0.360 30 20 DBED C#CCCNC[C@H]1CN(C(=O)[C@@H](C)S(C)(=O)=O)CCCO1 1200814841 MJKUOUBVZXQIHI-OLZOCXBDSA-N 316.423 -0.350 30 20 DBED C#CCCNC[C@H]1CN(C(=O)[C@@H]2CN(CC)CCO2)CCCO1 1202115571 JWDOHKPVMMLPES-HOTGVXAUSA-N 323.437 -0.063 30 20 DBED CC#CCNC1CCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)CC1 1202772387 OPYVWJZQNKYMKG-UHFFFAOYSA-N 320.349 -0.989 30 20 DBED C=C(C)CNC1CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)CC1 1202789169 UQXDKAKXLDTXDV-ZDUSSCGKSA-N 310.398 -0.477 30 20 DBED C#CCNC(=O)CC(=O)N1CCC(CNCC(=O)N(C)C)CC1 1205050990 ZJQKRGRIWVWPAM-UHFFFAOYSA-N 322.409 -0.958 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)[C@]2(C)CCOC2)C1 1210316548 XKVJWQQKDSDUNU-XJKSGUPXSA-N 307.394 -0.257 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)c2ccn(C)n2)C1 1211071150 HMEJCFJQHNYWFR-GFCCVEGCSA-N 303.366 -0.636 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)Cn2ccnc2)[C@H](C)C1 1211451598 BVHDJXWYXACOGI-MGPQQGTHSA-N 317.393 -0.543 30 20 DBED CC#CCN1C[C@@H](NC(=O)CS(=O)(=O)C(C)C)[C@H](OC)C1 1213874352 PZAMNTITQNCCOU-CHWSQXEVSA-N 316.423 -0.352 30 20 DBED CCN(CCC#N)C(=O)CN[C@@H]1CN(C(=O)COC)C[C@H]1C 1214005380 RLTNVMVADDVXPT-CHWSQXEVSA-N 310.398 -0.169 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)Cn2cccn2)C[C@H]1C 1214135624 SQIASJNASHQRTO-CHWSQXEVSA-N 303.366 -0.931 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@@H](NCc2ncnn2C)[C@H](C)C1 1214602064 JPLDIIZTUSTVPU-FRRDWIJNSA-N 305.382 -0.210 30 20 DBED C#CCCN[C@@H]1CN(C(=O)CCn2ncn(C)c2=O)C[C@H]1C 1215211843 PSOBLRGRBAQYMU-CHWSQXEVSA-N 305.382 -0.568 30 20 DBED C=CCCC(=O)N[C@@H]1CN(C[C@@H]2CCc3ncnn32)C[C@@H]1O 1219344427 JUQPIXMTKKVFIN-XQQFMLRXSA-N 305.382 -0.107 30 20 DBED C#CCCCCC(=O)N[C@@H]1CN([C@H]2CCCNC2=O)C[C@@H]1O 1219482207 PNNQOBPECASFJF-RDBSUJKOSA-N 307.394 -0.380 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C2(C(F)F)CC2)C1 1219625288 ITEKZRCEAZYUKS-ZJUUUORDSA-N 317.336 -0.505 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C2(C)CCCC2)C1 1220092260 FMKOVBKUVKZSLY-OLZOCXBDSA-N 307.394 -0.523 30 20 DBED CNC(=O)[C@@H](C)N1CC[C@@H]2CN(C(=O)CSCC#N)[C@@H]2C1 1221291416 GJAVUZQIOZLGRR-IJLUTSLNSA-N 310.423 -0.090 30 20 DBED COCC#CCN1CC[C@@H]2CN(C(=O)[C@H]3CCCC(=O)N3)[C@@H]2C1 1221634625 BBSCWDRTZFEHMO-RBSFLKMASA-N 319.405 -0.162 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC(CNC(=O)CNC(C)=O)CC1 1222258074 NLCXXKKRYCCJJZ-LBPRGKRZSA-N 322.409 -0.911 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC(CNC(=O)CC(=O)NC)CC1 1222945390 BEGXIYZPDKKRDF-LBPRGKRZSA-N 322.409 -0.911 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1CCN(Cc2nnnn2C)CC1 1222975105 MZCYIZSNQZPYME-HNNXBMFYSA-N 322.413 -0.135 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CCN(C(=O)c3cnn[nH]3)C[C@@H]21 1223053944 KVROLTHTYIJRBQ-YPMHNXCESA-N 316.365 -0.910 30 20 DBED C[C@H]1CO[C@H](C(=O)NCC2CCN(CC(=O)NCC#N)CC2)C1 1223855288 VIRYYXQMABDFJE-OCCSQVGLSA-N 322.409 -0.121 30 20 DBED C#CCCCC(=O)NC1CCN([C@H](C)C(=O)NC(N)=O)CC1 1227107263 AXBCUBPTHZSHSC-LLVKDONJSA-N 308.382 -0.046 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)c2ccn(C)n2)CC1 1230262579 HMPSHLPAEBISKQ-UHFFFAOYSA-N 305.382 -0.084 30 20 DBED C=CCNC(=O)CN1CC[C@H]1CN(C)C(=O)c1ccnn1C 1231071083 UTLGYKWEDSJXCO-LBPRGKRZSA-N 305.382 -0.131 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)CCCNC(=O)Cn1cccn1 1233947449 PJVZLZHJRCFHMS-CYBMUJFWSA-N 305.382 -0.541 30 20 DBED C#CCN(C(=O)C(=O)N1CC[C@H](S(C)(=O)=O)C1)C(C)C 1262534693 NBRJSHUHZIRDPM-NSHDSACASA-N 300.380 -0.498 30 20 DBED C=CCCN(C)C(=O)C(=O)Nc1ccn(CC(=O)N(C)C)n1 1320607806 JPAVOSWCRAZNTD-UHFFFAOYSA-N 307.354 -0.056 30 20 DBED C[C@@H]1CCCN(CCNC(=O)C(=O)N2CCO[C@@H](C#N)C2)C1 1321508995 NMJRBKZQNPFVKN-OLZOCXBDSA-N 308.382 -0.415 30 20 DBED C#CCSCCNC(=O)C(=O)N[C@@H]1CC(=O)N(C(C)C)C1 1322429899 ROMNMYNNBBOXEI-LLVKDONJSA-N 311.407 -0.406 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@H](C)c1nc(C)no1)[C@H]1CCCO1 1322599899 YUYKFYMYDXXSCT-DVVUODLYSA-N 306.322 -0.148 30 20 DBED C#CCOCCNC(=O)C(=O)NCCCN1CCC(C)CC1 1322925388 ZCPYFSRNFUAERE-UHFFFAOYSA-N 309.410 -0.009 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N1CC[C@H](N2CCCC2=O)C1 1323527330 FFVKBNSUIWURSB-RYUDHWBXSA-N 309.366 -0.473 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CCC(OCCOC)CC1 1323527475 GMPSUUIWTVTJDQ-GFCCVEGCSA-N 314.382 -0.042 30 20 DBED CN(C)C(=O)CNC(=O)C(=O)Nc1ccc(F)cc1OCC#N 1324312506 WZEIHINYWZKSSK-UHFFFAOYSA-N 322.296 -0.129 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)C(=O)N2CCCN3CCC[C@H]3C2)C1 1326249094 MOXVNSNRXWTNED-XJKSGUPXSA-N 320.393 -0.440 30 20 DBED COCCN1CC[C@H](NC(=O)C(=O)N2CCC[C@H](CC#N)C2)C1 1328017945 DFSFHTAGHUUBNO-KGLIPLIRSA-N 322.409 -0.024 30 20 DBED CC1(O)CCC(NC(=O)C(=O)N2CCN(CCC#N)CC2)CC1 1332797098 AWHQPWJFESGASP-UHFFFAOYSA-N 322.409 -0.146 30 20 DBED C=C(C)[C@H]1OCC[C@H]1Cn1nnnc1N1CCN(C)C(=O)C1 1334255953 QRSVMVUWQHNRBF-WCQYABFASA-N 306.370 -0.067 30 20 DBED C#CCSCCNC(=O)C(=O)N[C@@H]1COCC[C@H]1OC 1334794851 WQJSNGAYFUSAED-GHMZBOCLSA-N 300.380 -0.611 30 20 DBED C=CCCOCCNC(=O)C(=O)N[C@@H]1CCCN(CC)C1=O 1334901983 JEFQGULSLBBBQN-GFCCVEGCSA-N 311.382 -0.178 30 20 DBED C#Cc1cccc(NC(=O)C(=O)N[C@H](CCOC)C(N)=O)c1 1343367332 KJQOPTVDIRHKRN-GFCCVEGCSA-N 303.318 -0.387 30 20 DBED C[C@@H](O)CNC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 1343521542 TWHHEHUUZFAHBG-SECBINFHSA-N 314.305 -0.426 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N1CC[C@@H](C(=O)N(C)C)C1 1345093430 RXFGNUFXOSRHOG-GFCCVEGCSA-N 311.382 -0.416 30 20 DBED CN(Cc1cn(C)nn1)C(=O)C(=O)NCc1cccc(C#N)c1 1350661331 MRSSVUNEUDSQLJ-UHFFFAOYSA-N 312.333 -0.038 30 20 DBED CN(C)CCn1nccc1C(=O)NCCn1cnc(C#N)n1 1362809951 JDSXINOOTGNPPT-UHFFFAOYSA-N 302.342 -0.662 30 20 DBED N#Cc1cn(CC(=O)NCc2cncc(F)c2)c(=O)nc1O 1363561537 SWGXBBWKJHALIV-UHFFFAOYSA-N 303.253 -0.329 30 20 DBED N#CC1(CNC(=O)NCCC(=O)N2CCOCC2)CCOCC1 1364355295 CRRKQLOYSZUBAF-UHFFFAOYSA-N 324.381 -0.145 30 20 DBED CC(=O)N1CC[C@@H](CN(C)C(=O)NCCn2cnc(C#N)n2)C1 1365385304 UNXHLTOGZNXUGT-LBPRGKRZSA-N 319.369 -0.340 30 20 DBED CCNC(=O)CCC(=O)NC1CN(C(=O)c2cc(C#N)c[nH]2)C1 1389156020 PTHUOOLMIAXLAR-UHFFFAOYSA-N 317.349 -0.257 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)CCc1ccncn1 1399836518 SZPCRYCQZLGXPX-CMPLNLGQSA-N 305.338 -0.838 30 20 DBED CCn1nnc(C)c1CN1CC(O)(CNC(=O)[C@@H](C)C#N)C1 1407400625 VYDYUJYEGMKNDL-JTQLQIEISA-N 306.370 -0.571 30 20 DBED N#C[C@H]1CN(S(=O)(=O)N[C@H]2CCN(CC(F)F)C2)CCO1 1413378438 SPNBZKPGKRGTMR-UWVGGRQHSA-N 324.353 -0.615 30 20 DBED CNC(=O)NCCC(=O)N1CC[C@H]2CN(C(=O)[C@H](C)C#N)C[C@H]21 1413933080 WFMJFSPJZFLRMU-GRYCIOLGSA-N 321.381 -0.476 30 20 DBED C[C@H](C#N)C(=O)N1CCN(CCNC(=O)Cc2cnc[nH]2)CC1 1414763286 XDFPZWMNWLBTJJ-GFCCVEGCSA-N 318.381 -0.628 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)CNC(=O)N2CCCC2)CC1 1417137395 BTWHLXGFCFKILZ-NSHDSACASA-N 321.381 -0.284 30 20 DBED C=C(Cl)CN[C@H](C)CNC(=O)Cn1ncn2nccc2c1=O 1418281202 GLWQOQTZSSLOFJ-SNVBAGLBSA-N 324.772 -0.262 30 20 DBED CN(CCNC(=O)Cn1ncnn1)Cc1ccc(F)c(C#N)c1 1418463495 YPPQVIMMAIWEFC-UHFFFAOYSA-N 317.328 -0.068 30 20 DBED Cc1nc(C#N)c(C#N)n1CC(=O)N[C@@H]1CCS(=O)(=O)C1 1421366379 PTZWNYLJFVZXKG-SECBINFHSA-N 307.335 -0.762 30 20 DBED C[C@H](C#N)C(=O)NC1CCN(C(=O)CN2CCCC2=O)CC1 1429649939 GNIALUMXJPUYEK-LLVKDONJSA-N 306.366 -0.124 30 20 DBED C[C@@H](C(=O)N1CCC2(CC1)COC(=O)N2)n1cnc(C#N)n1 1458223838 GULZSJKZBNXMOM-VIFPVBQESA-N 304.310 -0.188 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)c2nc3ncccn3n2)CC1 1459093054 AKNFGNIYYMZHEN-VIFPVBQESA-N 313.321 -0.337 30 20 DBED C[C@H](C(=O)NCc1nc([C@@H]2CCCO2)n[nH]1)n1cnc(C#N)n1 1469517985 JTKAFIKHMRNTQD-BDAKNGLRSA-N 316.325 -0.003 30 20 DBED C#C[C@H](C)N(C)c1nnc(CS(C)(=O)=O)n1CCOC 1514646909 SOZQXAHNLRSJHQ-JTQLQIEISA-N 300.384 -0.073 30 20 DBED C#CCOCCN(C)C(=O)c1nc(S(C)(=O)=O)ncc1C 1529436193 NJAUGMPHSGGFDY-UHFFFAOYSA-N 311.363 -0.090 30 20 DBED C[C@H](CC(N)=O)C(=O)NCC1CN(C(=O)c2cc(C#N)c[nH]2)C1 1530848545 SSYAKBPVNKIIFV-SECBINFHSA-N 317.349 -0.414 30 20 DBED N#Cc1nc(=N[C@H]2C[C@@H](NC(=O)[C@H]3C[C@H]3C(=O)O)C2)cc[nH]1 1571074955 QODVIJAIUDNAHF-QCLAVDOMSA-N 301.306 -0.450 30 20 DBED C[C@@H](CCNC(=O)[C@H](C)C#N)NCC(=O)NCc1cnn[nH]1 1575529193 HUFZBMIQWYEVKB-ZJUUUORDSA-N 307.358 -0.935 30 20 DBED COC(=O)[C@H](CO)NC(=O)[C@H]1NCCc2cc(C#N)ccc21 1578846148 WCTJUGQDYHFHFM-STQMWFEESA-N 303.318 -0.605 30 20 DBED C#C[C@H](CO)NC(=O)Nc1ccc(-c2nn[nH]n2)cc1OC 1588327036 AMQWVTSLUUHQNZ-SECBINFHSA-N 302.294 -0.009 30 20 DBED CN(CCNc1ccc(-c2nn[nH]n2)nn1)C(=O)C#CC1CC1 1591105820 GXAJFDSHFBZAJZ-UHFFFAOYSA-N 312.337 -0.060 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)NCc2ccc(C(=O)O)cc2)CCO1 1594605440 DOIYJOOHAQSLRK-LBPRGKRZSA-N 317.301 -0.248 30 20 DBED Cn1ccc([C@@H](NS(=O)(=O)c2cncc(C#N)c2)C(=O)O)n1 1600977064 YIFICGVUTRKVAM-LLVKDONJSA-N 321.318 -0.209 30 20 DBED CC#CC[C@@H](CO)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 1602889275 GTLIHZCSUVDBLK-NSHDSACASA-N 321.362 -0.081 30 20 DBED C=CCOC[C@H](NC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1)C(=O)O 1602910014 NDNBVBGIRHUMCQ-VWYCJHECSA-N 314.338 -0.429 30 20 DBED C=CCn1cc(C(=O)N2C[C@@H](C(=O)OC)CC[C@@H]2C(=O)O)nn1 1602937600 BUPLHRFHVRYOAR-GXSJLCMTSA-N 322.321 -0.058 30 20 DBED COc1cc(-c2nn[nH]n2)ccc1OCC(=O)NCC#CCO 1609336910 LOMKDXWKWGJRHT-UHFFFAOYSA-N 317.305 -0.634 30 20 DBED Cc1cc(C#N)cnc1C(=O)NCC(=O)N1CCN(C)CC1 1650601412 HUZFVEQIISUSGN-UHFFFAOYSA-N 301.350 -0.235 30 20 DBED C#CCNC(=O)CN1CCC[C@@H](NC(=O)c2nonc2C)C1 1713794463 WEAQPYSOXFFARF-LLVKDONJSA-N 305.338 -0.678 30 20 DBED CN(CCCNC(=O)c1ccc(C#N)[nH]1)CCN1CCNC1=O 1751962415 ALEZAPZIICWYCS-UHFFFAOYSA-N 318.381 -0.037 30 20 DBED Cc1cc(C(=O)NC[C@@H](NCC(=O)NCC#N)C2CC2)n[nH]1 1752449589 HWPNXTHZIBPIRW-GFCCVEGCSA-N 304.354 -0.544 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)C2CCOCC2)C[C@@H]1C 1753751037 LCTLXEXHPUZYLJ-ZFWWWQNUSA-N 321.421 -0.011 30 20 DBED C#CCNC(=O)CNC[C@H](O)CNC(=O)c1c[nH]cc1C1CC1 1753932292 LQEVGZALXYBPOT-LBPRGKRZSA-N 318.377 -0.678 30 20 DBED C#CCNC(=O)[C@@H](C)NCC[C@H](C)NC(=O)Cc1ccon1 1753951878 LEVDTCZKEDPWAJ-NWDGAFQWSA-N 306.366 -0.161 30 20 DBED N#CCNC(=O)CN1CC[C@H]1CNC(=O)Cc1cncs1 1754486071 HOACBPWVNXUXSQ-JTQLQIEISA-N 307.379 -0.484 30 20 DBED C#CCNC(=O)CN[C@H]1CN(C(=O)c2cnn(C)c2)C[C@H]1C 1755103813 SSDNUQQQPPIHME-YPMHNXCESA-N 303.366 -0.780 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCC(O)(CNCC#N)CC1 1755151049 PPMDHHLMOUOPKY-AWEZNQCLSA-N 304.394 -0.449 30 20 DBED CCc1ncoc1C(=O)N(C)C[C@@H](C)NCC(=O)NCC#N 1755606938 VANDFCSUKQFIKK-SNVBAGLBSA-N 307.354 -0.073 30 20 DBED COCC#CCN[C@@H](C)CN(C)C(=O)c1cn(C)c(=O)n1C 1755619640 YELGQUIJXVJVAH-LBPRGKRZSA-N 308.382 -0.576 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2cncn2C)[C@@H]1C 1755655880 DHBVQLDFKQDOCM-NEPJUHHUSA-N 303.366 -0.638 30 20 DBED CC#CCNC[C@H](O)CN(C)C(=O)[C@H](CC)N1CCCC1=O 1755797287 YNWVZDCXXBCMCA-KBPBESRZSA-N 309.410 -0.180 30 20 DBED CC[C@@H](F)C(=O)N(C)C[C@@H](O)CN(C)CC(=O)NCC#N 1755805408 WLAUWCZJSSGZIU-WDEREUQCSA-N 302.350 -0.875 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H](C)N(C)C(=O)C1(NC(N)=O)CC1 1756027779 VDUQUAJCVZDEDV-QWRGUYRKSA-N 324.381 -0.811 30 20 DBED CC(C)C#CC(=O)NCCOCCCNC(=O)c1nc[nH]n1 1756397689 VRHCGHWVPOHUFN-UHFFFAOYSA-N 307.354 -0.283 30 20 DBED C#Cc1cncc(C(=O)N[C@H](CO)CNC(=O)c2ccccn2)c1 1756501242 OMQWFSZMISCKLM-AWEZNQCLSA-N 324.340 -0.021 30 20 DBED NC(=O)NCCC(=O)N1C[C@H]2CCN(C(=O)C#CC3CC3)C[C@H]21 1757228130 RUTMGLVSCQQYBF-CHWSQXEVSA-N 318.377 -0.483 30 20 DBED C=CCCC(=O)N[C@@H]1CCN(C(=O)c2ccc(O)nn2)C[C@H]1O 1757563788 XNOUGAPAJFLRJA-ZYHUDNBSSA-N 320.349 -0.160 30 20 DBED C=CCCC(=O)N1CC[C@H](NC(=O)c2cnn(C)c2N)[C@@H](O)C1 1757567343 QZGZWILIKMTRHX-RYUDHWBXSA-N 321.381 -0.340 30 20 DBED CN(C)C1CCN(CCNc2[nH]c(=O)n(C)c(=O)c2C#N)CC1 1772116340 XPNBGGBIXDLLKV-UHFFFAOYSA-N 320.397 -0.617 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CCC[C@](O)(C(=O)O)C1 1776863622 MCLHPCREWBJOQN-LLVKDONJSA-N 305.356 -0.622 30 20 DBED C[C@H](O)C(=O)N1CC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1783516029 GQMDZCZZJDKTDJ-BLLLJJGKSA-N 306.362 -0.390 30 20 DBED C=CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](C)NC=O)CCO2 1783917232 JNERKOAQKDWBRO-SWLSCSKDSA-N 309.366 -0.473 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCCOC1 1802075553 WMJDARMNGJXGPC-GUIRCDHDSA-N 306.362 -0.364 30 20 DBED N#CCC(=O)N1CCCC12CN(C(=O)/C=C\C(=O)NC1CC1)C2 1842622353 CTYIUVQLAMVLSH-PLNGDYQASA-N 316.361 -0.062 30 20 DBED C#CCCC(=O)N1CC2(CCCN2C(=O)CC[C@@H](N)C(N)=O)C1 1842948479 SJERFQXVKJNCAC-GFCCVEGCSA-N 320.393 -0.804 30 20 DBED C=C[C@H](O)C(C)(C)C(=O)N1CC2(CCCN2C(=O)[C@@H](N)CN)C1 1843349445 FQMPZQSJMJKLGE-RYUDHWBXSA-N 324.425 -0.951 30 20 DBED N#Cc1cccc(CNC(=O)NCCN2CCNC(=O)C2)c1 272926966 KUJRQFKSOINXBS-UHFFFAOYSA-N 301.350 -0.211 30 20 DBED CC(C)(CNC(=O)CNC(=O)c1ccc(C#N)cc1)C(N)=O 274170234 HGJTUUSWYSRXFC-UHFFFAOYSA-N 302.334 -0.084 30 20 DBED CC(=O)NC1CN(C(=O)C(=O)N2CCc3ccc(C#N)cc32)C1 276119086 JGFQYSBMKLHUAH-UHFFFAOYSA-N 312.329 -0.206 30 20 DBED Cc1ccn(C[C@@](C)(O)C(=O)N2CCO[C@@H](C#N)C2)c(=O)c1 280769051 YXDMZEYYYRLVOI-SWLSCSKDSA-N 305.334 -0.341 30 20 DBED C=CCN(C)C(=O)C(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O 289351506 LNTUEOJRHKDRES-LLVKDONJSA-N 319.365 -0.324 30 20 DBED O=C(C/N=C(/O)N1CCC[C@H]2C(O)=NC[C@H]21)N1CCOCC1 329724600 DEYSBELCMZMGOB-GHMZBOCLSA-N 310.354 -0.190 30 20 DBED Cn1ccc(/C(O)=N/C[C@](C)(O)CN2CCOCC2)cc1=O 329854279 WGHNLLAUEWHDQR-HNNXBMFYSA-N 309.366 -0.227 30 20 DBED CC[C@@H](/N=C(/O)CN1CCOCC1=O)C(=O)N1CCOCC1 329888174 YLQSMRYWWVWJSP-LLVKDONJSA-N 313.354 -0.561 30 20 DBED CC(C)(C)/N=C(/O)NC(=O)CN1CCO[C@@H](Cn2cncn2)C1 330669918 YTIFUTARPXAWCT-LLVKDONJSA-N 324.385 -0.192 30 20 DBED CCN(/C(O)=N/C[C@@H]1CN(C)CCO1)[C@@H](C)CS(C)(=O)=O 330719740 WNNVHZBEJVJMFR-NWDGAFQWSA-N 321.443 -0.014 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N1CC[C@@H](C)S(=O)(=O)CC1 331914440 GFTFPJBDUOLVGX-GHMZBOCLSA-N 323.440 -0.168 30 20 DBED COCCOCCCNS(=O)(=O)N1CCO[C@@H](C#N)C1 336902536 RMNTZRVERMUPEN-NSHDSACASA-N 307.372 -0.902 30 20 DBED CC(=O)NC[C@@H]1CN(S(=O)(=O)N(C)C[C@@H](C)C#N)CCO1 337082251 ZIGYVOJJZULYRI-CMPLNLGQSA-N 318.399 -0.840 30 20 DBED C=C(C)CN(C)C(=O)C(=O)NCCCN(C)S(=O)(=O)CC 340551542 UONZQKGGHOVLGC-UHFFFAOYSA-N 319.427 -0.191 30 20 DBED CC[C@H](C)[C@@H](NS(C)(=O)=O)C(=O)N1CCO[C@H](C#N)C1 345312218 FPWPLNYVCOIIEE-HBNTYKKESA-N 303.384 -0.299 30 20 DBED C=CC[C@H](C)NC(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1 346179259 JYYRXEGRPVHVEE-QMMMGPOBSA-N 315.351 -0.262 30 20 DBED CCN(C[C@@H](C)C#N)C(=O)CN1CCN(C(C)(C)C(N)=O)CC1 347524302 QGTPEEJQQYDHBD-ZDUSSCGKSA-N 323.441 -0.124 30 20 DBED C=CCOC[C@H]1NC(=O)N(c2cnn(CC(=O)NC)c2)C1=O 348722789 VOYDUSCNURFMAJ-SNVBAGLBSA-N 307.310 -0.744 30 20 DBED C=C[C@H](CO)NS(=O)(=O)c1ccc2c(c1)S(=O)(=O)CC2 349803122 RWTBLQRMECLUDQ-SNVBAGLBSA-N 317.388 -0.158 30 20 DBED Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCC(=O)NCC#N 352513163 VMPBCRANFVMAEM-UHFFFAOYSA-N 312.307 -0.179 30 20 DBED COC[C@@H](CO)NS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N 352514232 ILVHFTVQLCDBSH-MRVPVSSYSA-N 315.307 -0.248 30 20 DBED COCCNC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 354355529 VMBCQULQBZOYQW-UHFFFAOYSA-N 314.305 -0.160 30 20 DBED N#CCNC(=O)CNC(=O)NCc1ccccc1OCCO 358317819 VREWOAVFLYWIPL-UHFFFAOYSA-N 306.322 -0.503 30 20 DBED N#Cc1ccccc1OC[C@H](O)CN1CC[C@H](O)[C@H](CO)C1 396839845 BGZVLKURVNXKJP-ZNMIVQPWSA-N 306.362 -0.027 30 20 DBED C#CCN(C)CCCNC(=O)NC[C@H]1CC[C@H](C(=O)N(C)C)O1 491804684 MOBQJVAAENWFDH-ZIAGYGMSSA-N 324.425 -0.124 30 20 DBED COC(=O)c1cccc([C@@H](NCC(=O)NCC#N)C(=O)OC)c1 507220984 COUKVDFPJIGKMP-CYBMUJFWSA-N 319.317 -0.083 30 20 DBED COC(=O)[C@@H]1C[C@@H](O)CN([C@H](C(N)=O)c2ccc(C#N)cc2)C1 592199186 SMDGHOMBFLSEHW-MCIONIFRSA-N 317.345 -0.060 30 20 DBED N#Cc1ccc(CCNC(=O)NCCN2C(=O)CNC2=O)cc1 595507398 MLQHWZCERWSBKH-UHFFFAOYSA-N 315.333 -0.048 30 20 DBED CC[C@@H]1OCC[C@H]1NC(=O)C(=O)N1CCN(CCC#N)CC1 602277011 OQPOXIUJGWJWEQ-OLZOCXBDSA-N 308.382 -0.272 30 20 DBED COC(=O)[C@@H](C)CS(=O)(=O)NC1CCN(CC#N)CC1 610701129 AEJAFOHUNYJXDP-JTQLQIEISA-N 303.384 -0.297 30 20 DBED Cc1nn(C)c(N2CCN(C(=O)Cn3cncn3)CC2)c1C#N 615966261 XHRWVQDCYIXZQU-UHFFFAOYSA-N 314.353 -0.460 30 20 DBED C=CCN(CCOC)C(=O)[C@@H]1CCCN1C(=O)CNC(C)=O 682970853 WFCBYVXKAKSVPL-ZDUSSCGKSA-N 311.382 -0.226 30 20 DBED CS(=O)(=O)N[C@@H]1CCCN(C(=O)[C@H](N)CCCC#N)C1 691538264 BBRHUNZYVRFHCZ-GHMZBOCLSA-N 302.400 -0.452 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2c[nH]nc2CC)CC1 728531485 KMPOOJYHHVQBSM-UHFFFAOYSA-N 303.366 -0.521 30 20 DBED C#CCOCCNC(=O)N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 753378190 LTIIQCVKLXYHKW-LLVKDONJSA-N 308.338 -0.686 30 20 DBED C#CCOCCOC(=O)CCNS(=O)(=O)c1cccnc1 762728005 YYIKGGXNZBFFDZ-UHFFFAOYSA-N 312.347 -0.057 30 20 DBED N#Cc1c2c(cn(CN3CCS(=O)(=O)CC3)c1=O)CCC2 766620532 UBRZDUJTDXIECY-UHFFFAOYSA-N 307.375 -0.103 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@H](C)Cn1cccn1)[C@H]1CCCO1 774146228 JEXOOLGFZXRMNH-FRRDWIJNSA-N 304.350 -0.315 30 20 DBED C[C@@](C#N)(NC(=O)COC(=O)CCn1cnccc1=O)C1CC1 796331651 WNJRFKSERBMZAT-HNNXBMFYSA-N 318.333 -0.015 30 20 DBED COC(=O)CNC(=O)CNC(=O)Cc1ccc(OCC#N)cc1 798254555 IUXLZFYUJVAUSL-UHFFFAOYSA-N 319.317 -0.463 30 20 DBED C#CCCS(=O)(=O)N1CCN(CCC(=O)OC)C[C@@H]1C 808305174 JEPIQBOZAGUBTL-LBPRGKRZSA-N 302.396 -0.091 30 20 DBED CON=CC(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 809677566 NOCWIJRJJAALKG-SNVBAGLBSA-N 307.372 -0.777 30 20 DBED C#CC[C@@H](CO)NC(=O)c1cc(S(=O)(=O)N(C)C)oc1C 820064774 LTGNDJWXJHXKMK-JTQLQIEISA-N 314.363 -0.048 30 20 DBED CC(C)[C@@](C)(C#N)NC(=O)Cn1cnc(C#N)c1-c1nn[nH]n1 824184282 FDZBKCAOTDDQQQ-CYBMUJFWSA-N 313.325 -0.011 30 20 DBED Cc1ccc(-c2nnn(CC(=O)N[C@@H]3CNC[C@H]3C#N)n2)cc1 843459216 DHZJQVWIPCQVPS-CHWSQXEVSA-N 311.349 -0.124 30 20 DBED CC#CC[C@@H](CO)NC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 844118805 UFVPPBSGHPJDPN-LBPRGKRZSA-N 323.374 -0.626 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)Nc2cccc3nonc23)CCO1 847486972 NCQBAIHTRRKPGR-MRVPVSSYSA-N 301.262 -0.088 30 20 DBED C#CCN1CCC(NC(=O)[C@H]2C[C@H](OC)CN2C(C)=O)CC1 928652528 BADZMXHYDZWGIC-LSDHHAIUSA-N 307.394 -0.164 30 20 DBED N#Cc1cc(C(=O)N[C@H]2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)c[nH]1 937850279 BREHODFOANCGGE-WCQGTBRESA-N 315.333 -0.662 30 20 DBED C#Cc1ccccc1CC(=O)N1CC[C@H](N(C)C(=O)C(N)=O)C1 938981586 GHDCOEHQTUOJOZ-AWEZNQCLSA-N 313.357 -0.245 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(CC1)CN(C(=O)C(N)=O)C2 945062823 XTSDGFGQJOJAMW-NEPJUHHUSA-N 321.377 -0.486 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H]2[C@H]3C[C@H]2N(C(=O)CC(N)=O)C3)c1 946876802 CDBOSYZOZNEISF-PLMOITTCSA-N 301.306 -0.909 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@H]2CNC(=O)[C@H]2CCC(=O)N2)c1 949116710 UEIZBOIIPVATCZ-WDEREUQCSA-N 315.333 -0.504 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)[C@H]1CCCO1 950435243 RLYJCXRIOWVRGU-SOUVJXGZSA-N 319.405 -0.020 30 20 DBED CN(C(=O)C[C@@H]1CC(=O)NC1=O)C1CN(C(=O)C#CC2CC2)C1 954741390 DXDOFDOTDOMRSQ-NSHDSACASA-N 317.345 -0.878 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(C)(NC(=O)[C@H]2CNC(=O)N2)CC1 956473129 NSJOISJXKIJRBL-VHSXEESVSA-N 307.354 -0.675 30 20 DBED C#CCCN1C[C@@H](O)[C@H](CNC(=O)c2ccnn2CCOC)C1 958170919 CBJBIQIKIFTHSY-UKRRQHHQSA-N 320.393 -0.425 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2ccc(N(C)C)nc2)C1 958203906 VSYYZNJQPQEEDT-KGLIPLIRSA-N 302.378 -0.197 30 20 DBED CC#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cnc(OCC)cn2)C1 958761880 ATWMCUXHQXCWRE-GXTWGEPZSA-N 318.377 -0.079 30 20 DBED CC#CCN1C[C@H]2[C@H](NC(=O)[C@@H]3CCc4nnn(C)c4C3)[C@H]2C1 961604582 CIBCPBFZLWOYNR-FOCJUVANSA-N 313.405 -0.010 30 20 DBED C=CCCN1C[C@H]2C(NC(=O)c3nccnc3C(N)=O)[C@@H]2C1 962506708 FFLCMNVLFFDTCK-NXEZZACHSA-N 301.350 -0.188 30 20 DBED Cc1cn(C)nc1C(=O)NC[C@H]1COCCN1C(=O)[C@H](C)C#N 964177048 ALJSMQVJNKGHMN-PWSUYJOCSA-N 319.365 -0.155 30 20 DBED CC#CCN1CC([C@@H](C)NC(=O)[C@@H]2CCN(C)S2(=O)=O)C1 970568705 FJBYNENXFFGENB-YPMHNXCESA-N 313.423 -0.520 30 20 DBED CN(CC#N)[C@@H]1CCN(C(=O)c2coc(S(N)(=O)=O)c2)C1 971813600 OEMZMEGVDNUEJB-SNVBAGLBSA-N 312.351 -0.403 30 20 DBED C#CCCN1C[C@H]2CC[C@H]1CN2C(=O)CN1C(=O)CCC1=O 972095930 YYHBUOFKJZJUNS-QWHCGFSZSA-N 303.362 -0.166 30 20 DBED Cn1ncc(C(=O)N2CC[C@]3(CN(CC#N)CCO3)C2)c1N 972355826 PCSHKQUPTSLXJY-AWEZNQCLSA-N 304.354 -0.557 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)Cn3cncn3)C[C@H]21 974989857 YKQGOQVYXFPXCE-QJPTWQEYSA-N 302.338 -0.503 30 20 DBED CN(C[C@@H]1CCN1C(=O)CC(N)=O)C(=O)c1ccc(C#N)[nH]1 977594273 VTEXAUNOTNUBLB-JTQLQIEISA-N 303.322 -0.565 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@@H]2COCCN2C(C)=O)C(C)(C)C1 977608989 BRVRVJTZBUWYTN-UONOGXRCSA-N 307.394 -0.307 30 20 DBED C#CCN1C[C@@H]2CC[C@H](NC(=O)c3nnc(O)nc3O)C[C@H]2C1 980138531 FEXPULCFEQDSLX-DCAQKATOSA-N 317.349 -0.254 30 20 DBED CC#CCN1CCCC2(C1)CN(C(=O)CN1C(=O)CNC1=O)C2 982141930 YUJXBYMNLQCDMW-UHFFFAOYSA-N 318.377 -0.514 30 20 DBED CN1CC(=O)N(CC(=O)N2CC3(CCCN(CC#N)C3)C2)C1=O 982143901 LZXWZVMGSBVLMS-UHFFFAOYSA-N 319.365 -0.672 30 20 DBED C#CCN1CC[C@@]2(NC(=O)Cn3cnc(C(N)=O)n3)CCC[C@@H]12 990767685 YNWHHBCNCVAMHW-ABAIWWIYSA-N 316.365 -0.877 30 20 DBED O=C(Cc1ncc[nH]1)N[C@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1O 991725348 VTOQVGZJAXHHST-STQMWFEESA-N 316.361 -0.556 30 20 DBED C[C@H]1[C@@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)CCCN1CC#N 994338516 OSJJQACFYNZODX-QWRGUYRKSA-N 321.381 -0.191 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C[C@H]1CCCN1C(=O)C(N)=O 1002925255 WDSJRVNPLRRMMZ-UPJWGTAASA-N 323.393 -0.098 30 20 DBED C[C@@H](NC(=O)c1cnn[nH]1)[C@H]1CN(C(=O)C#CC2CC2)CCO1 1009692545 YQHYMNJYNREQEJ-ZWNOBZJWSA-N 317.349 -0.436 30 20 DBED Cn1nnnc1CN1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 1010666183 ATWQRLNDPNRPIF-JTQLQIEISA-N 300.326 -0.586 30 20 DBED C=CC(C)(C)C(=O)N1CCN(C(=O)C[C@H]2CC(=O)NC2=O)CC1 1011471112 VFWMLZAFQSRJKS-LLVKDONJSA-N 321.377 -0.078 30 20 DBED N#Cc1cc(C(=O)NC2[C@H]3CN(C(=O)c4nc[nH]n4)C[C@H]23)c[nH]1 1012982822 PHKNWIYNBJWDPC-UWVGGRQHSA-N 311.305 -0.495 30 20 DBED N#CCN1[C@H]2CC[C@H]1CC(NC(=O)CN1CCNC(=O)C1)C2 1021347851 PAVXNROSUSYBFP-STQMWFEESA-N 305.382 -0.947 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2COCCO2)C1 1023094407 KKUXWVXKDOJPTP-IJLUTSLNSA-N 312.366 -0.698 30 20 DBED CC(=O)N1CCO[C@H](C(=O)NC[C@H]2CCCN(CC#N)C2)C1 1023728633 AFMXNDHIGZQVQF-KGLIPLIRSA-N 308.382 -0.415 30 20 DBED COCCN1C[C@H](C(=O)N2C[C@@H]3CC[C@H](C2)N3CC#N)CC1=O 1029328913 KEVUMVUPUXKMBB-MCIONIFRSA-N 320.393 -0.320 30 20 DBED N#CCN1[C@H]2CC[C@H]1CN(C(=O)CCn1cc[nH]c(=O)c1=O)C2 1029517707 MQAVWEUMNIPXCQ-RYUDHWBXSA-N 317.349 -0.875 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)CN2C(=O)C(=O)N(C)C2=O)C1 1033469801 QDANBROBJNMHON-SNVBAGLBSA-N 308.338 -0.874 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)c3cn(C)c(=O)n3C)CC[C@@H]21 1036905284 HEMVHORWFWPGEM-OLZOCXBDSA-N 302.378 -0.107 30 20 DBED C=C(C)CCC(=O)N1CC[C@](O)(CNC(=O)c2ncn(C)n2)C1 1039619942 UPLZODINXPZALP-HNNXBMFYSA-N 321.381 -0.135 30 20 DBED CC(C)C#CC(=O)NC[C@]1(O)CCN(C(=O)[C@@]23COC[C@@H]2C3)C1 1039665199 GOFFXQJSLUJILI-XKQJLSEDSA-N 320.389 -0.238 30 20 DBED C[C@@H]1CCN(C(=O)C(N)=O)C[C@H]1CNc1nccnc1C#N 1039886897 AEMJVSKAKIPZEK-NXEZZACHSA-N 302.338 -0.270 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@](O)(CNC(=O)c2nc[nH]n2)C1 1040549858 FXDQMZGWCXYALM-AWEZNQCLSA-N 307.354 -0.290 30 20 DBED C=CCCC(=O)N1CC[C@](O)(CNC(=O)C(=O)NCC2CC2)C1 1040710049 NGSOMXSULFZCSV-INIZCTEOSA-N 323.393 -0.442 30 20 DBED Cc1cnc(C(=O)N2CC[C@](O)(CNC(=O)[C@@H](C)C#N)C2)cn1 1040764848 ZQMSLUSVVNZYBZ-BONVTDFDSA-N 317.349 -0.362 30 20 DBED O=C(NCC1(O)CN(C(=O)C#CC2CC2)C1)c1cc[n+]([O-])cc1 1041330325 VUASFQIPFSRLIA-UHFFFAOYSA-N 315.329 -0.964 30 20 DBED N#CCN1CC[C@@]2(CCN(C(=O)CC[C@@H]3NC(=O)NC3=O)C2)C1 1041821397 FTDYUDKAEVFDEQ-XHDPSFHLSA-N 319.365 -0.577 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)Cc2cnn(C)c2)C1 1041965937 DKICGNHOOZFOHJ-UHFFFAOYSA-N 320.393 -0.136 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)[C@]2(C)CCOC2)C1 1042046828 BCQHKBBQTZEFFE-CQSZACIVSA-N 312.366 -0.695 30 20 DBED C#CCN1CC[C@H]2CCN(C(=O)c3nnc(O)nc3O)C[C@H]21 1042135378 UXHWOFMFYLSSKE-VHSXEESVSA-N 303.322 -0.548 30 20 DBED C=C(Cl)CN1CC(N(C)C(=O)Cn2cnc(C(N)=O)n2)C1 1042749822 NGDBMVRLEORQJZ-UHFFFAOYSA-N 312.761 -0.728 30 20 DBED Cn1cc(C(=O)N[C@@H]2CN(c3ccnc(C#N)n3)C[C@@H]2O)cn1 1043851993 AHJIWVPLJXJOJC-MNOVXSKESA-N 313.321 -0.939 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)[C@H]3CCOC3)C2)nc1 1043867642 QMYUITGYUXTNNF-XQQFMLRXSA-N 302.334 -0.345 30 20 DBED N#CCN1CC[C@H](N2CCN(C(=O)C[C@@H]3COC(=O)C3)CC2)C1 1046020312 QHQNVHOBHPZNNN-KBPBESRZSA-N 320.393 -0.318 30 20 DBED C=C(C)CN1CC[C@H](N2CCN(C(=O)[C@H]3COC(=O)N3)CC2)C1 1046025438 ZMWJTAIJNDKOGT-UONOGXRCSA-N 322.409 -0.111 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCc3c[nH]nc32)C1 1047381877 TUQFCWUGFWEJPK-IHRRRGAJSA-N 302.378 -0.034 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(C(N)=O)n2)C1 1047643960 XBDRUWHNWKBPGU-STQMWFEESA-N 304.350 -0.516 30 20 DBED C=CCCC(=O)N(C)[C@H]1CN(C(=O)c2cnnn2C)C[C@@H]1O 1048523282 LZDGQLYKIHKJDX-RYUDHWBXSA-N 307.354 -0.575 30 20 DBED C#CCN1CCC(C(=O)N2C[C@@H]3CN(CCO)C[C@@H]3C2)CC1 1049235855 XQNRBXVMDKILED-IYBDPMFKSA-N 305.422 -0.286 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2n[nH]cc2F)C1 1049463883 LTGCQLVMEQKWOR-RYUDHWBXSA-N 322.340 -0.148 30 20 DBED C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CN(C(C)=O)CCO1 1049872370 VGIUFSIUJZQCCR-BZUAXINKSA-N 319.405 -0.068 30 20 DBED CC#CCN1CCOC[C@@H]1CNC(=O)[C@H]1CN(C)C[C@@H](C)O1 1050986022 IACIUNXKKUIPAX-QLFBSQMISA-N 309.410 -0.454 30 20 DBED C#CCCN1CCOC[C@H]1CNC(=O)[C@H]1CCC(=O)N(C)C1 1051256888 BVFGSWHJDIBFJE-UONOGXRCSA-N 307.394 -0.305 30 20 DBED C#CCN1CC2(CC[C@@H](CNC(=O)[C@H]3CC(=O)N(CC)C3)O2)C1 1053607146 RGCYOULTPYIFEX-KBPBESRZSA-N 319.405 -0.162 30 20 DBED C[C@@H]1CN(C(=O)c2coc(S(N)(=O)=O)c2)C[C@H]1NCC#N 1054815625 IFPKVVUIVBILMI-PSASIEDQSA-N 312.351 -0.499 30 20 DBED C[C@H](C#N)C(=O)NCCN1CCC(NC(=O)c2cn[nH]c2)CC1 1055629662 GVHFUMHCZLPZSP-LLVKDONJSA-N 318.381 -0.120 30 20 DBED CO[C@H](C)C(=O)N[C@@]1(CO)CCCN(C(=O)C#CC2CC2)C1 1055807456 YSFCLQCHKAWIFY-WBMJQRKESA-N 308.378 -0.096 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@](CO)(NC(=O)Cc2cnoc2)C1 1056067513 UCARPFJGHOTURG-IAQYHMDHSA-N 320.349 -0.154 30 20 DBED C[C@H](C#N)C(=O)N[C@@]1(CO)CCCN(C(=O)CN2CCCC2)C1 1056096605 JKYULNCNZMNLAG-CJNGLKHVSA-N 322.409 -0.288 30 20 DBED Cn1nncc1C(=O)NC1[C@@H]2CN(c3ccc(C#N)nc3)C[C@@H]12 1056194722 OLTMXWVKTXYBGO-VXGBXAGGSA-N 309.333 -0.054 30 20 DBED Cn1cc(C(=O)N[C@H]2[C@@H]3CN(c4ccc(C#N)nc4)C[C@@H]32)nn1 1056199685 YOYFQBVSKBNCFO-IMRBUKKESA-N 309.333 -0.054 30 20 DBED C#CCNC(=O)CC(=O)NCCN(CCO)C(=O)C1CCCC1 1056767310 PWVNDVSBWNEPTQ-UHFFFAOYSA-N 323.393 -0.747 30 20 DBED CN(c1cnc(C#N)cn1)[C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 1057017508 CPHKMWFCGNTORS-GHMZBOCLSA-N 315.337 -0.933 30 20 DBED C#CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)COCCC 1057140247 RTYYKIGFSKAKSL-ZDUSSCGKSA-N 314.382 -0.612 30 20 DBED N#Cc1ccc(N2CCC(NC(=O)Cn3cncn3)CC2)nn1 1057870821 JQDADDHMTOCFPN-UHFFFAOYSA-N 312.337 -0.275 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)COCCN(C)C 1058156748 SOMJDNFDNCKGCJ-UHFFFAOYSA-N 315.414 -0.532 30 20 DBED Cc1cc(C#N)nc(N2CC[C@H](NC(=O)c3nnn(C)n3)C2)n1 1058516476 MPFAEBADHOZWJO-VIFPVBQESA-N 313.325 -0.811 30 20 DBED C=C[C@@](C)(CC)C(=O)NCCN(CCO)C(=O)Cn1cncn1 1058883980 BRQIPTDRESBSBB-HNNXBMFYSA-N 323.397 -0.183 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1C[C@H](NC(=O)CN2CCOCC2)C1 1059186645 BDKWGXWJUIOKNJ-HDJSIYSDSA-N 315.377 -0.234 30 20 DBED N#Cc1nccnc1N[C@H]1C[C@@H](NC(=O)[C@H]2CCCNC2=O)C1 1059740029 DIWWJLYCOLCFCX-AXFHLTTASA-N 314.349 -0.066 30 20 DBED C=CCO[C@H](C)C(=O)N1CCOC[C@H]1CNC(=O)COCC 1061244609 BKNAARZPYAFHLM-CHWSQXEVSA-N 314.382 -0.042 30 20 DBED C#CCOCCC(=O)N1CCOC[C@@H]1CNC(=O)c1ncc[nH]1 1061558892 VVKFCXLEHPZDKM-LBPRGKRZSA-N 320.349 -0.593 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H]1COCCN1C(=O)c1ccon1 1061584567 JQEMACZNWZERIN-NWDGAFQWSA-N 321.333 -0.330 30 20 DBED C[C@H](Nc1cnc(C#N)cn1)C1CCN(C(=O)C(N)=O)CC1 1061874825 MCILJNNOXIZNRG-VIFPVBQESA-N 302.338 -0.127 30 20 DBED C=CCOCC(=O)N1CCCC[C@@H]1CNC(=O)c1nnn(C)n1 1062070399 KSMZULXDJHONOP-LLVKDONJSA-N 322.369 -0.476 30 20 DBED N#Cc1cnc(N2C[C@@H]3C[C@H]2CN3C(=O)c2ccc(O)nn2)cn1 1062431803 ZLMYQTUHHZTSJN-QWRGUYRKSA-N 323.316 -0.053 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CN(C(=O)c2cnn(C)c2N)CCO1 1065071944 SFFCVIOETXGMLB-VHSXEESVSA-N 320.353 -0.881 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CN(C(=O)Cc2ccnn2C)CCO1 1065093125 RLUAVWVCDWNEKH-DGCLKSJQSA-N 319.365 -0.534 30 20 DBED N#Cc1cnccc1N1C[C@H](O)[C@H](CNC(=O)c2ncccn2)C1 1067677965 LSASGBRFODWTJK-OCCSQVGLSA-N 324.344 -0.030 30 20 DBED N#Cc1cccnc1N1C[C@@H](O)[C@H](CNC(=O)c2ncccn2)C1 1067678995 XUOWGULXZPSKKS-CHWSQXEVSA-N 324.344 -0.030 30 20 DBED N#Cc1cccnc1NCC1CC(NC(=O)[C@@H]2CNC(=O)N2)C1 1067883099 DNVMIGZMXSZJIV-NHNAUAITSA-N 314.349 -0.059 30 20 DBED CN(c1cnc(C#N)cn1)C1CCN(C(=O)CC(N)=O)CC1 1068659035 USUDCDKFYDFBKF-UHFFFAOYSA-N 302.338 -0.349 30 20 DBED C#CCCN1CCn2ncc(CNC(=O)[C@@H]3COCCO3)c2C1 1069853685 CWRTXIKPJHOSKA-HNNXBMFYSA-N 318.377 -0.246 30 20 DBED C#CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@]23COC[C@@H]2C3)C1 1069932164 UFDOLUJQQFKUPA-FQLMCAECSA-N 315.377 -0.321 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@H]2COCCO2)C[C@H]1c1cncn1C 1070624785 IEQSODPDLIKQKC-UMVBOHGHSA-N 318.377 -0.647 30 20 DBED C#CCCCC(=O)N1CCC[C@@H](NC(=O)c2nnn(C)n2)C1 1070668613 COXPNKZNJLOULD-LLVKDONJSA-N 304.354 -0.266 30 20 DBED CC(C)(C)C#CC(=O)N[C@@H]1CCCN(C(=O)Cn2ncnn2)C1 1070775546 JUDKCVPKRBMPTB-GFCCVEGCSA-N 318.381 -0.170 30 20 DBED CC#CCN1C[C@H]2C[C@H]3CN(C(=O)c4nnn(C)n4)C[C@@]3(C1)O2 1070840227 STYQLQBNLBMSBZ-YWPYICTPSA-N 316.365 -0.851 30 20 DBED C=C(C)CN1CC[C@]2(C1)CN(C(=O)Cn1ncnn1)C[C@@H](C)O2 1071169571 TZWSEMQWZIFBRD-HIFRSBDPSA-N 320.397 -0.059 30 20 DBED C#CCOCCC(=O)N[C@H]1CN(C(=O)C2=COCCO2)C[C@H]1C 1071523664 BOPLIPUODPUXAO-OLZOCXBDSA-N 322.361 -0.122 30 20 DBED C=CCOCC(=O)N1C[C@H](C)[C@H](NC(=O)CC(=O)NCC)C1 1071808692 KLLFKCYVMYOXJZ-NWDGAFQWSA-N 311.382 -0.322 30 20 DBED C[C@@H]1CN(C(=O)CN2CCOCC2)C[C@H]1NC(=O)C#CC1CC1 1071919169 XSNFJCVTZFNJQG-UKRRQHHQSA-N 319.405 -0.305 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(C(=O)C2(NC(N)=O)CC2)C[C@@H]1C 1071925264 ITTVYNRUJKKVNX-NWDGAFQWSA-N 320.393 -0.046 30 20 DBED C#CCCN1C[C@@H](NC(=O)CN2CCC(=O)NC2=O)CC[C@H]1C 1071969936 CNTMWMNMGSBJQV-OLZOCXBDSA-N 320.393 -0.079 30 20 DBED C#CCCN1C[C@H](NC(=O)Cn2c(O)nnc2O)CC[C@@H]1C 1072026302 GPDBZOQPLIWULN-WDEREUQCSA-N 307.354 -0.318 30 20 DBED C=CCCOCC(=O)N1C[C@H](C)[C@H](NC(=O)c2nc[nH]n2)C1 1072337876 XWZSNVYZXGKKPN-WDEREUQCSA-N 307.354 -0.026 30 20 DBED N#CCN1CCCO[C@@H](CNC(=O)c2ccnc3[nH]nnc23)C1 1073690138 NHLCWHLGEMWIPN-JTQLQIEISA-N 315.337 -0.303 30 20 DBED C=CCOCC(=O)N1CC[C@@H](NC(=O)Cc2nc[nH]n2)[C@@H](C)C1 1074257680 NLHBVRCAETUDKU-NWDGAFQWSA-N 321.381 -0.097 30 20 DBED CC#CCN1CCO[C@H]2CCN(C(=O)C3(C(N)=O)CC3)C[C@H]21 1074327373 SWEWKGWWUFOORG-OLZOCXBDSA-N 305.378 -0.423 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC(O)(CNC(=O)[C@H](C)C#N)CC1 1074588784 SSJMAOYZCMKFJP-OLZOCXBDSA-N 321.377 -0.346 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(O)(CNC(=O)c2ccnnc2)CC1 1074706894 RFOQOMFHNNZMBP-NSHDSACASA-N 317.349 -0.280 30 20 DBED C#CCN1C[C@@H]2CCN(C(=O)[C@H]3CCN(C)S3(=O)=O)[C@@H]2C1 1076349423 LFSUTSJDMUCXOC-YNEHKIRRSA-N 311.407 -0.814 30 20 DBED C#CCC1(C(=O)NCC[C@H](C)NC(=O)C(N)=O)CCOCC1 1076835066 MUKFYNPSWWNVEC-NSHDSACASA-N 309.366 -0.697 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)c2cc(OC)nc(OC)c2)C1 1077305773 VLEKXMNNZXEROF-CHWSQXEVSA-N 319.361 -0.103 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCN(CC(F)F)C2)C1 1077583618 DRXLWVNQHQMTPA-QJPTWQEYSA-N 316.352 -0.352 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)c2ccc(=O)n(CC)n2)C1 1077857093 ZCPASZFMENYCQE-CHWSQXEVSA-N 304.350 -0.939 30 20 DBED C=CCOCC(=O)N1CC(N(CC)C(=O)[C@H]2CC[C@@H]2C(N)=O)C1 1080214814 RQUZHDIQWMBGHL-STQMWFEESA-N 323.393 -0.240 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CO)(NC(=O)c2cc[nH]n2)CC1 1080735795 LJMQRKRLZGPXAD-JTQLQIEISA-N 305.338 -0.347 30 20 DBED Cc1nn[nH]c1C(=O)NC1(CO)CCN(C(=O)[C@@H](C)C#N)CC1 1080931323 OKUBABABMUCGOK-VIFPVBQESA-N 320.353 -0.644 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2ncccn2)C[C@@H]1O 1081343836 IMJCAJBHFCEDJD-NEPJUHHUSA-N 320.349 -0.772 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)c2cn[nH]c2)C[C@@H]1O 1081463953 UMSIRHYLIWMVLW-STQMWFEESA-N 304.350 -0.382 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2cn3c(n2)CC[C@H](C)C3)C1 1083567028 KSDLPUXBMBYWTK-SCRDCRAPSA-N 302.378 -0.127 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2cccc(C(=O)N(C)C)c2)C1 1083964596 JERUWYNPORIEPX-CABCVRRESA-N 315.373 -0.204 30 20 DBED N#CCN1CC[C@@H]2CN(C(=O)[C@@H]3CCc4nn[nH]c4C3)[C@@H]2C1 1084772885 SXSRQRXXYGJTRI-JTNHKYCSSA-N 300.366 -0.034 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)[C@H]1CC 1087795589 MRPYLHARVQBTTK-CMPLNLGQSA-N 314.349 -0.367 30 20 DBED C=CCN[C@@H]1CCCCCN(C(=O)CN2CCNC(=O)C2)C1 1088359332 WTXPVJGYCQZCEP-CQSZACIVSA-N 308.426 -0.035 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H]2CCN(Cc3cnon3)C[C@@H]2O)c1 1090181159 WPKKKROWPWSGAK-AAEUAGOBSA-N 316.321 -0.365 30 20 DBED CN(C)CCn1ccc(C(=O)N[C@H]2CCN(CC#N)C[C@@H]2O)n1 1090272304 NVSJXBWENJXGMO-JSGCOSHPSA-N 320.397 -0.867 30 20 DBED C=CCN1CC[C@@H](NC(=O)c2ccn(CCOC)n2)[C@H](O)C1 1090423994 VMEWSUIKZZBRDA-TZMCWYRMSA-N 308.382 -0.120 30 20 DBED C#CCN1CC[C@@H](NC(=O)C(=O)N2CCC(C)CC2)[C@H](O)C1 1090626329 ANUWBBWXGZSKFM-ZIAGYGMSSA-N 307.394 -0.571 30 20 DBED C[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1NC(=O)CCNC(N)=O 1090710954 FYBXYIJSUCWIMO-NXEZZACHSA-N 317.353 -0.652 30 20 DBED CC(=O)NCC(=O)N[C@H]1CCN(c2ccc(C#N)cn2)C[C@H]1O 1092130403 VUHNXYBJWRHWSG-QWHCGFSZSA-N 317.349 -0.855 30 20 DBED Cc1nc(NCCNC(=O)C[C@@H]2NC(=O)NC2=O)ccc1C#N 1094215363 YWYOAKOGZOMRED-JTQLQIEISA-N 316.321 -0.612 30 20 DBED CN1CC[C@@H](C(=O)NCCNc2cnc(C#N)cn2)CC1=O 1094239570 UTQPUVGKZDUQQO-SNVBAGLBSA-N 302.338 -0.255 30 20 DBED CN1CCO[C@H](C(=O)NCCCN=c2cc[nH]cc2C#N)C1 1094349359 RXOVWNWIUPLWHV-AWEZNQCLSA-N 303.366 -0.376 30 20 DBED C#CCN1CCN(C(=O)c2ccoc2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094602957 DTRMTCWEQKNMLJ-QWHCGFSZSA-N 308.359 -0.164 30 20 DBED N#Cc1cnc(N[C@H]2C[C@H](NC(=O)CNC(N)=O)C2)c(F)c1 1096984409 WFCHYNLJOISLBR-KYZUINATSA-N 306.301 -0.180 30 20 DBED N#Cc1ccc(NC[C@H]2CCCCN2C(=O)CNC(N)=O)nn1 1097473522 RCZOSMQBNDTFEU-LLVKDONJSA-N 317.353 -0.190 30 20 DBED C[C@@H](CNC(=O)CN1C(=O)CCC1=O)N=c1cc[nH]cc1C#N 1097848005 LOFQRPLXGFAESI-JTQLQIEISA-N 315.333 -0.559 30 20 DBED C[C@H](CNC(=O)[C@H]1CCCS1(=O)=O)N=c1cc[nH]c(C#N)n1 1097882513 DGBRVEHGKWWSLU-NXEZZACHSA-N 323.378 -0.736 30 20 DBED CC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1CCC(=O)NC1=O 1098166010 VTYQLTFXIWNPCP-UPJWGTAASA-N 318.377 -0.327 30 20 DBED CN1CCC[C@@H]1C(=O)N1CC[C@H](n2cc(CNCC#N)nn2)C1 1098644502 BYJVGNYZRGLUIL-UONOGXRCSA-N 317.397 -0.241 30 20 DBED C=CCNCc1cn([C@@H]2CCN(C(=O)[C@@H](C)CC(N)=O)C2)nn1 1098696984 AZKRINPCJMRGTQ-WCQYABFASA-N 320.397 -0.161 30 20 DBED Cn1cnn(CC(=O)NC[C@H]2CCC(C)(C)CN2CC#N)c1=O 1099130619 PYIVUHFDWQZURE-GFCCVEGCSA-N 320.397 -0.288 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)CCSC)[C@@H](O)C1 1099655058 WMVXFIBUUMRTDY-NEPJUHHUSA-N 315.439 -0.407 30 20 DBED C#CCCN1CC[C@H](NC(=O)CN(C)C(=O)C2CC2)[C@@H](O)C1 1099863196 JVXSYWWJXKSWIA-KBPBESRZSA-N 307.394 -0.571 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)c2ccsn2)[C@@H](O)C1 1099887968 MZDTXLQLGOIESO-PWSUYJOCSA-N 322.390 -0.943 30 20 DBED C#CCN1CC[C@H](NC(=O)C2(S(C)(=O)=O)CCC2)[C@@H](O)C1 1100057433 FWGVHZVXFXYABR-RYUDHWBXSA-N 314.407 -0.862 30 20 DBED C=CCN1CC[C@H](NC(=O)COCc2nc(CC)no2)[C@H](O)C1 1100072045 ODZNUNNHCKUGTA-NWDGAFQWSA-N 324.381 -0.114 30 20 DBED C#CCN1CC[C@H](NC(=O)CCCC(=O)NC(C)C)[C@@H](O)C1 1100079376 YPBONRJRWSIFMA-KBPBESRZSA-N 309.410 -0.134 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1CC(NCCn2cncn2)C1 1100323963 RAVFHQPPZSAHMS-HSBZDZAISA-N 305.382 -0.199 30 20 DBED C=CCCCNC1CC(CNC(=O)Cn2cnc(C(N)=O)n2)C1 1100346751 VATWVHBKTKIUFC-UHFFFAOYSA-N 320.397 -0.172 30 20 DBED N#CCNC(=O)CNC1CC(CNC(=O)CCCCC(N)=O)C1 1100842837 PIEXPSCCVVBIEX-UHFFFAOYSA-N 323.397 -0.844 30 20 DBED CC1(C)NC(=O)N(CC(=O)NCC2CC(NCC#N)C2)C1=O 1100942711 CWVQTCOADXDFAW-UHFFFAOYSA-N 307.354 -0.675 30 20 DBED N#Cc1nccnc1N1CC[C@@H](CNC(=O)Cn2nccn2)C1 1101019674 ULPBXCXABGSRLV-NSHDSACASA-N 312.337 -0.418 30 20 DBED COCC#CCN1C[C@@H]2CN(C(=O)[C@H](C)NC(C)=O)C[C@]2(C)C1 1101115992 BUVFTIJEAVHCFS-LXZKKBNFSA-N 321.421 -0.059 30 20 DBED CCCN(CCNC(=O)[C@H]1CNC(=O)N1)c1ccc(C#N)cn1 1101235652 BMLXSAPWTJPBQA-GFCCVEGCSA-N 316.365 -0.033 30 20 DBED Cc1cc(C#N)nc(NCCN(C)C(=O)[C@H]2COCCN2C)n1 1101564177 HIFKUMXTZUCPAU-CYBMUJFWSA-N 318.381 -0.142 30 20 DBED Cc1cc(=NCCN(C)C(=O)[C@@H]2CN(C)C(=O)N2)c(C#N)c[nH]1 1101903067 OKWNHWHCZZZUKJ-ZDUSSCGKSA-N 316.365 -0.423 30 20 DBED CN(CCN=c1cc[nH]cc1C#N)C(=O)[C@H]1CCN(C)C1=O 1101907687 MJGDBPKYYYVUEF-LBPRGKRZSA-N 301.350 -0.276 30 20 DBED CC[C@@H](CNC(=O)CCNC(N)=O)Nc1ccc(C#N)nn1 1103091887 HELTWMJJFRWKLJ-VIFPVBQESA-N 305.342 -0.287 30 20 DBED CC[C@H](CNC(=O)Cn1ncnn1)Nc1ncccc1C#N 1103207734 KUOIFMLFNBXJCA-LLVKDONJSA-N 300.326 -0.053 30 20 DBED C[C@H](CN=c1cc[nH]cc1C#N)CNC(=O)[C@H]1COCCN1C 1103923494 ZKZCFNNMJFXCIC-IUODEOHRSA-N 317.393 -0.130 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H]1CN(c2nccnc2F)CCO1 1104330220 KIKFRSVUBFPPBV-RYUDHWBXSA-N 322.340 -0.025 30 20 DBED C[C@H](NC(N)=O)C(=O)N(C)[C@@H](C)CN=c1cc[nH]cc1C#N 1104534751 AJOKTDJPUMBBOG-UWVGGRQHSA-N 304.354 -0.309 30 20 DBED C#CCCNCc1cn(C2CN(C(=O)[C@@H](C)NC(C)=O)C2)nn1 1105146468 FJQAJZXUDCKVOM-LLVKDONJSA-N 318.381 -0.701 30 20 DBED C#CCNCc1cn(C2CN(C(=O)c3n[nH]c(C)c3O)C2)nn1 1105211089 GSCKMWCDFFDVNB-UHFFFAOYSA-N 315.337 -0.565 30 20 DBED C#CCNCc1cn(C2CN(C(=O)COCCC=C)C2)nn1 1105380752 FFCBCZBDKRIRKI-UHFFFAOYSA-N 303.366 -0.023 30 20 DBED Cc1cc(N(C)CCN(C)C(=O)Cn2ncnn2)c(C#N)cn1 1105473194 RPFAUJPKOLWMJF-UHFFFAOYSA-N 314.353 -0.157 30 20 DBED C[C@@H](CC(N)=O)C(=O)N(C)CCN(C)c1nccnc1C#N 1105521425 JMOGPZOFOJSNKM-JTQLQIEISA-N 304.354 -0.246 30 20 DBED CN(CCN(C)c1ccc(C#N)nc1)C(=O)[C@@H]1CCNC1=O 1105534681 BXYPWBPOTYPTLZ-CYBMUJFWSA-N 301.350 -0.016 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)[C@H]2CCCOC2)nn1 1105741212 BBFRMWOTYVTJPO-JQWIXIFHSA-N 305.338 -0.336 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)c2ccc(C#N)[nH]2)nn1 1105789803 ZIBSJKVQCNPWKW-LLVKDONJSA-N 311.305 -0.249 30 20 DBED CC(C)[C@@H](C(=O)NC[C@H](O)CNc1cnc(C#N)cn1)N(C)C 1105917996 UDDSKVQTKPCAEL-OCCSQVGLSA-N 320.397 -0.177 30 20 DBED CN(C)[C@H](C(=O)NC[C@H](O)CNc1nccnc1C#N)C1CC1 1105995670 VKJGEPLSPPWQET-YPMHNXCESA-N 318.381 -0.423 30 20 DBED Cc1cc(C#N)nc(NCC[C@@H](C)NC(=O)[C@H]2CNC(=O)N2)n1 1106542406 GJHNPIZGXZIELK-LDYMZIIASA-N 317.353 -0.355 30 20 DBED C=CCNC(=O)CNC[C@@H]1CN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C[C@H]1C 1106556487 QMWZBIRIEDYBBB-FAHYXWLWSA-N 321.421 -0.135 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)C[C@H]1COC(=O)C1 1106725027 KSAKWSQOECXQRJ-LLVKDONJSA-N 317.349 -0.016 30 20 DBED C=CCO[C@@H](C)C(=O)N1C[C@@H](C)[C@H](CNCc2nnn(C)n2)C1 1107062802 UKFDTBJTXDMEAE-FRRDWIJNSA-N 322.413 -0.015 30 20 DBED COCC#CCN1CCO[C@@](C)(CNC(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1108142039 JVJJWFUYCMEJAI-HWMZRRJGSA-N 322.405 -0.264 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)c1ccc(=O)n(C)n1 1108377648 DEAUWOBATQNTOI-VIFPVBQESA-N 313.321 -0.906 30 20 DBED C[C@@H](CNc1cnc(C#N)cn1)NC(=O)C[C@@H]1CCC(=O)N1 1108448627 VEJHHTMQCHZDCV-UWVGGRQHSA-N 302.338 -0.066 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)[C@@H](CC)N(C)C)CC2=O)C1 1108553089 FNRAMINXZHIVCE-GXTWGEPZSA-N 308.426 -0.086 30 20 DBED C[C@@H](CNc1ncc(C#N)cc1F)NC(=O)[C@H]1CNC(=O)N1 1108669086 MIIJNPCINNMIHD-OIBJUYFYSA-N 306.301 -0.310 30 20 DBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cnsn1 1108989064 RFHYGULRFJFPKB-YWVKMMECSA-N 320.378 -0.487 30 20 DBED C[C@H](CN(C)c1ccc(C#N)nn1)NC(=O)[C@H](C)CC(N)=O 1109205305 KMTXYTBZDDPBHX-NXEZZACHSA-N 304.354 -0.199 30 20 DBED Cc1cc(C#N)nc(N(C)C[C@H](C)NC(=O)[C@H]2CCNC2=O)n1 1109205638 MYDBRNOVNPRIBE-JQWIXIFHSA-N 316.365 -0.266 30 20 DBED CN(CCCNc1nccnc1C#N)C(=O)[C@@H]1CCC(=O)N1 1109487018 UZGWDGLCGNAQPY-JTQLQIEISA-N 302.338 -0.113 30 20 DBED N#Cc1ccc(NC[C@H](NC(=O)Cn2cnnn2)C2CC2)nc1 1109775267 FEOUTPDEYAPWCR-LBPRGKRZSA-N 312.337 -0.053 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCNC(N)=O 1110079581 KXRATAHVAWOKDM-AGIUHOORSA-N 308.382 -0.584 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2[C@H](CC)C(N)=O 1110465493 GBLABGXIMMZKMT-LPWJVIDDSA-N 320.393 -0.889 30 20 DBED CN(CCCN(C)c1nccnc1C#N)C(=O)Cn1nccn1 1112130088 ZDUKLLDSWRMAIP-UHFFFAOYSA-N 314.353 -0.075 30 20 DBED C[C@@H](C#N)C(=O)N1CCN([C@H](C)C(=O)NC(=O)NC2CC2)CC1 1112718215 FUKQHFIDLPRMGR-WDEREUQCSA-N 321.381 -0.333 30 20 DBED COCC#CCN1CCN(C(=O)C(C)(C)CNC(C)=O)CC1 1113423616 GUDACFREFPQPHM-UHFFFAOYSA-N 309.410 -0.057 30 20 DBED C[C@H](NC(N)=O)C(=O)NC[C@H](C)N(C)c1ccncc1C#N 1113578079 QZMFYXCDODAVLG-UWVGGRQHSA-N 304.354 -0.049 30 20 DBED C[C@H](CNC(=O)[C@H]1COC(=O)N1)N(C)c1cncc(C#N)n1 1113591556 ZCBRLVJQCOMLCI-PSASIEDQSA-N 304.310 -0.602 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)C3=COCCO3)[C@@H]2C1 1113811397 AXXZPXRUJJXLFA-GHMZBOCLSA-N 307.350 -0.777 30 20 DBED C=CCOCCCC(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1114107814 GEFZOTKTJHEMBC-VIKVFOODSA-N 320.393 -0.345 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)c3cncnc3)[C@H]2C1 1114161284 DQRRGJRMAXWRCN-ZZVYKPCYSA-N 313.361 -0.726 30 20 DBED O=C(C#CC1CC1)NC1[C@@H]2CN(C[C@H](O)Cn3cccn3)C[C@@H]12 1114257600 CDPWFIOJJAOUAU-RRFJBIMHSA-N 314.389 -0.296 30 20 DBED C[C@@H]1C[C@@H](CNc2cnc(C#N)cn2)CN1C(=O)CNC(N)=O 1114667786 VJVOYLOTZMOYMO-ZJUUUORDSA-N 317.353 -0.335 30 20 DBED C=CCn1cc(C(=O)N[C@H]2[C@@H]3CN(CCOCCO)C[C@@H]32)nn1 1114941552 CNFPOKNRDHBDHM-IMRBUKKESA-N 321.381 -0.867 30 20 DBED C=CCCN1C[C@H]2C(NC(=O)CCn3cc[nH]c(=O)c3=O)[C@@H]2C1 1114986751 MCDWQTJXJDFRGN-VXGBXAGGSA-N 318.377 -0.451 30 20 DBED CCO[C@@H]1CCC[C@H]1NC(=O)C(=O)N1CC[C@](O)(CC#N)C1 1118225896 OTEQYYOZLOMQFK-LALPHHSUSA-N 309.366 -0.063 30 20 DBED CN(C[C@@H]1CCCCO1)C(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1118247488 KNCYLAMGKGQDJT-WFASDCNBSA-N 309.366 -0.109 30 20 DBED CC1(C)CN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)CCO1 1118924240 OFMODVJRSAKAMQ-CYBMUJFWSA-N 320.393 -0.177 30 20 DBED Cc1nnsc1C(=O)NC[C@@H](CO)N=c1cc[nH]cc1C#N 1121055500 NGQPLHKUPFMPPQ-JTQLQIEISA-N 318.362 -0.262 30 20 DBED C[C@H](C(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1)n1cccn1 1121213008 LKDWERFAINQJIL-MNOVXSKESA-N 315.337 -0.883 30 20 DBED CNC(=O)CC(=O)NC[C@H](CO)Nc1ncc(C#N)cc1F 1121372023 SMIGIFSUERHCAO-SECBINFHSA-N 309.301 -0.883 30 20 DBED Cc1cc(C#N)nc(N[C@@H](CO)CNC(=O)[C@H](O)C(C)C)n1 1121393316 QEGAQFNMEXSSBA-VXGBXAGGSA-N 307.354 -0.437 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)[C@@H]2CCC(=O)N2)nc1 1121818886 ONMFZGKZVULCDU-QWRGUYRKSA-N 303.322 -0.879 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)c2cc[n+]([O-])cc2)C1=O 1123046302 CIIQIRNMCPFRPY-ZDUSSCGKSA-N 304.350 -0.574 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)[C@H](C)SC 1123956319 AUSOHDRDCFBTHM-ZJUUUORDSA-N 316.427 -0.156 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)[C@@H]1CCCO1 1124066655 YRKKSBBGPGNVTO-MNOVXSKESA-N 305.338 -0.820 30 20 DBED CN(C[C@@H](O)CNc1ccc(C#N)nn1)C(=O)C1=COCCO1 1124072390 QPJHHPQVUOHMNT-NSHDSACASA-N 319.321 -0.532 30 20 DBED CC(=O)NCCOCCNCCNC(=O)c1cc(C#N)c[nH]1 1125362696 ZISYBHFODRSRKP-UHFFFAOYSA-N 307.354 -0.642 30 20 DBED C#CCNCc1nnc2n1CC[C@@H](NC(=O)[C@H](O)C(C)C)CC2 1127985456 XRZQSLKMZBNONB-SWLSCSKDSA-N 319.409 -0.161 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)c1ccns1 1128506676 IVQJMJPIHBRAIW-UHFFFAOYSA-N 311.367 -0.526 30 20 DBED C=CCCN[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2)C[C@@H]1n1ccnn1 1129671125 GLACWYAPWBDQMF-UPJWGTAASA-N 318.381 -0.526 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@@H]1CCn2cncc2C1 1130400779 HZZPDFNIEPPWLO-GFCCVEGCSA-N 305.382 -0.547 30 20 DBED C=CCCNC[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C(N)=O)n2)O1 1130802377 QTLUZCSPCXSYPZ-VHSXEESVSA-N 322.369 -0.708 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1cc(C(F)F)n(C)n1 1131355262 MIGREGFGHOVNHP-UHFFFAOYSA-N 315.324 -0.021 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)c2ncn(C)n2)CC[C@H]1C 1132002971 OYBOXFITTSNJOD-NEPJUHHUSA-N 320.397 -0.300 30 20 DBED C=CCN1C[C@H](NC(=O)CNS(=O)(=O)NC)CC[C@@H]1C 1132210257 FNDBSVHULOFMNJ-WDEREUQCSA-N 304.416 -0.805 30 20 DBED C#CCNC[C@H]1CN(C(=O)Cn2ncn(C)c2=O)CC[C@H]1C 1132927520 GFRGHBMVTGUKCS-OLZOCXBDSA-N 305.382 -0.711 30 20 DBED C=CCOCC(=O)N[C@@H](C)C[C@H](C)NCC(=O)NC(N)=O 1133910319 YPGXUGMHSWICOC-UWVGGRQHSA-N 300.359 -0.743 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)c1cnc(C)[nH]1 1133916288 FWANKVHTIQIBCH-WDEREUQCSA-N 305.382 -0.046 30 20 DBED C=C(Cl)CNCCNC(=O)Cn1[nH]cc2c(=O)ncnc1-2 1135465937 XWUXAYKFYIIMPF-UHFFFAOYSA-N 310.745 -0.471 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)CCc1ncccn1 1135559222 HOEMPSHHCJRBLN-GFCCVEGCSA-N 303.366 -0.747 30 20 DBED C[C@H](C[C@@H](C)NC(=O)Cn1[nH]cc2c(=O)ncnc1-2)NCC#N 1135695538 QLQZGJYILWBAOT-NXEZZACHSA-N 317.353 -0.532 30 20 DBED Cc1ncc(C(=O)N2CC3(CCN(CC(=O)NCC#N)C3)C2)[nH]1 1147206584 SESDHQDWCXNMDK-UHFFFAOYSA-N 316.365 -0.494 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)C[C@H]1CCCCC(=O)N1 1149111988 IGFCIHXDAQVBTQ-QWHCGFSZSA-N 322.409 -0.721 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@H]1CN(CCCO)CCCO1 1149623522 KQMSBBWZNJJFSQ-ZFWWWQNUSA-N 300.399 -0.097 30 20 DBED Cc1cccc(OCC(=O)NCCNCC(=O)NCC#N)c1 1150879508 AUIOGLNHXJRHEI-UHFFFAOYSA-N 304.350 -0.281 30 20 DBED N#Cc1ccccc1CNCCNC(=O)[C@@H]1CCS(=O)(=O)N1 1151299200 BUQZDEHPTYKVDV-ZDUSSCGKSA-N 322.390 -0.544 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)c2ccc(O)nn2)C1=O 1154394646 HNUXNSILFKINBV-GFCCVEGCSA-N 319.365 -0.321 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)c1ccc(O)nn1 1154395034 YEQTUTVPGGNFRF-JTQLQIEISA-N 305.338 -0.970 30 20 DBED C#CCN1CCC(CNC(=O)[C@@H]2CCN(C)C2=O)(COC)CC1 1162419692 SIFJIGNHFMWKFQ-AWEZNQCLSA-N 321.421 -0.057 30 20 DBED C=CCNCC1(CCNC(=O)CNC(=O)Cn2cncn2)CC1 1168302427 SCFDUIUNCKXMBT-UHFFFAOYSA-N 320.397 -0.544 30 20 DBED C=CCNC(=O)CNCCCC[C@H](C)NC(=O)CNC(N)=O 1169062281 KTWPLQRUHCXKDJ-NSHDSACASA-N 313.402 -0.779 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@](C)(NC(C)=O)C1CC1 1170867773 MOMFKYQFCDEUEY-MRXNPFEDSA-N 324.425 -0.311 30 20 DBED C#CCNC(=O)CNCCCNC(=O)CCc1cnn(C)c1 1176875809 KCRXSDKJBQRAKX-UHFFFAOYSA-N 305.382 -0.802 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H]2OCCN(CCF)[C@@H]2C1 1176983062 MTDIUBWGACHGRQ-OLZOCXBDSA-N 311.357 -0.603 30 20 DBED CC#CCN1CCO[C@H]2CCN(C(=O)CCCC(N)=O)C[C@H]21 1177162597 MQXHIOWFXDJJBU-KGLIPLIRSA-N 307.394 -0.033 30 20 DBED CC#CCNC[C@H]1C[C@H]2CC[C@H]1N(C(=O)Cn1cnnn1)C2 1177594332 AMQMTXUWVBFSCS-MGPQQGTHSA-N 302.382 -0.087 30 20 DBED C=CCNC[C@@H]1C[C@H]2CC[C@H]1N(C(=O)CN1CCNC(=O)C1)C2 1177876079 GDSQMPIWLMANBA-QLFBSQMISA-N 320.437 -0.179 30 20 DBED C=CCCOCC(=O)N1CC[C@H](N[C@H]2CCC(=O)NC2=O)[C@@H]1C 1180261004 WKAJOESFVBPRCY-AVGNSLFASA-N 323.393 -0.037 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)Cc2cnn(C)c2)C1 1181487589 LXNQJPAYPNCMKZ-GXTWGEPZSA-N 317.393 -0.709 30 20 DBED C#CCNC[C@]1(C)CN(C(=O)CN(C)C(=O)COC)C[C@H]1C 1181659383 VLCWYNHRIKXEGW-CZUORRHYSA-N 309.410 -0.201 30 20 DBED C[C@@H]1CN(C(=O)c2cc[nH]n2)CC[C@H]1CNCC(=O)NCC#N 1183895869 BDLYKJKPOUUTDR-NEPJUHHUSA-N 318.381 -0.263 30 20 DBED CNS(=O)(=O)CCC(=O)N1CC[C@H](CNCC#N)[C@@H](C)C1 1184412598 UGSFIWITKPSVDD-NWDGAFQWSA-N 316.427 -0.477 30 20 DBED N#CCNC[C@H]1CN(C(=O)Cn2cnnn2)CC12CCOCC2 1186244993 DFMGBMPFCQHXKO-LBPRGKRZSA-N 319.369 -0.959 30 20 DBED N#CCNC[C@@H]1CN(C(=O)c2cnn[nH]2)CC12CCOCC2 1186409866 HFILGUFIHADBPA-LLVKDONJSA-N 304.354 -0.213 30 20 DBED COCC#CCN(C)[C@@H]1CCN(C(=O)CNC(=O)C2CC2)C1 1189085912 NHWRAKFYDUHFTJ-CQSZACIVSA-N 307.394 -0.305 30 20 DBED CC#CCN(C)[C@@H]1CCN(C(=O)CS(=O)(=O)CCOC)C1 1190973522 PELWRPNGYKYWNN-CYBMUJFWSA-N 316.423 -0.396 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(CCN2CCCC2=O)C[C@H]1O 1192518758 YIWSEHQGRQACCT-ZIAGYGMSSA-N 307.394 -0.426 30 20 DBED CC(C)CNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C#CC(C)(C)C)C1 1192812969 BGYLCLKAMOOSGN-ZIAGYGMSSA-N 323.437 -0.031 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1CN(CCF)C[C@H]1O 1196691328 CPTQKGUABPZVKF-YNEHKIRRSA-N 301.362 -0.412 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@@H]1CN(C(=O)C(C)C)CCCO1 1199875325 FBKIWLHYRIUGSF-UONOGXRCSA-N 309.410 -0.013 30 20 DBED Cc1[nH]nc(C(=O)N2CCC(NCC(=O)NCC#N)CC2)c1C 1199878448 SVAAVMLAMAKQRL-UHFFFAOYSA-N 318.381 -0.139 30 20 DBED CC[C@@H](C)C(=O)N1CCCO[C@H](CNCC(=O)NCC#N)C1 1199886030 DTFIOXXBRNZPDN-CHWSQXEVSA-N 310.398 -0.121 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)c2ocnc2C)CC1 1199961369 YZYAPWKFFWQZIN-UHFFFAOYSA-N 304.350 -0.073 30 20 DBED C=CCNC(=O)CNC[C@H]1CN(C(=O)[C@H](C)OC)CCCO1 1199977936 VCRCTKMOHKGAPV-STQMWFEESA-N 313.398 -0.469 30 20 DBED CC(C)C#CC(=O)N1CCCO[C@@H](CNCC(=O)N(C)C)C1 1200462454 MVUGUIHTLLCUTK-AWEZNQCLSA-N 309.410 -0.059 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)Cn2cncc2C)CC1 1201631628 ISCJFHITTFSBEI-UHFFFAOYSA-N 317.393 -0.478 30 20 DBED C=CCCCNC1CCN(C(=O)CNS(=O)(=O)NC)CC1 1201831455 YRICCYDTOCWLQD-UHFFFAOYSA-N 318.443 -0.413 30 20 DBED C#CCNC(=O)CN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)COCC=C)C2 1204094984 JIPHKEPOLWWDFQ-RBSFLKMASA-N 319.405 -0.093 30 20 DBED C#CCOCCC(=O)N1CCC(CNCc2nnn(C)n2)CC1 1205258355 BIFVNENGAPIQSQ-UHFFFAOYSA-N 320.397 -0.422 30 20 DBED N#CCNCC1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)CC1 1206603416 OOSSGZNJTILWOY-UHFFFAOYSA-N 319.365 -0.722 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)[C@H]2CC[C@@H](C)O2)C1 1209715788 LHVHHVAJNXPVMP-HZSPNIEDSA-N 307.394 -0.116 30 20 DBED CCCN(C)CC(=O)N1CCC[C@H](NCC(=O)NCC#N)C1 1210789706 QXAWAEPYWJRDCK-ZDUSSCGKSA-N 309.414 -0.451 30 20 DBED COCC#CCN1C[C@@H](NC(=O)c2cc(C)[nH]n2)[C@H](OC)C1 1211947384 VLEQVVRWPYTEDM-ZIAGYGMSSA-N 306.366 -0.203 30 20 DBED Cc1cc(NC(=O)CN2C[C@H](O)[C@H](NC(=O)[C@H](C)C#N)C2)no1 1219379798 ZGERSUWLEVGPKB-IEBDPFPHSA-N 321.337 -0.758 30 20 DBED C=CCC[C@H](C)N1C[C@H](O)[C@H](NC(=O)Cn2cnnc2O)C1 1219478481 YTSSKKPPPWXFML-TUAOUCFPSA-N 309.370 -0.500 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(Cc2cnn(C)c2)C[C@@H]1O 1219526873 DPTVAPNHPCKWOM-VNHYZAJKSA-N 308.382 -0.592 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2cnn(CCOCC)c2)C1 1220618517 WMPDIYKLHYCHJS-KGLIPLIRSA-N 306.366 -0.672 30 20 DBED C=CCN1CC[C@@H]2CN(C(=O)[C@H](C)NS(C)(=O)=O)[C@@H]2C1 1221835299 FYMGHZGBKNCPMH-QJPTWQEYSA-N 301.412 -0.357 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)Cn1cccn1 1224757787 ODPUTNSAOCEAET-CHWSQXEVSA-N 318.381 -0.460 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC(NC(=O)c2cnsn2)CC1 1226259081 DWBYANHMGBRAEY-SNVBAGLBSA-N 321.406 -0.130 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)c2cnn(CC)n2)CC1 1227174429 WJPCSOVSMYCLLV-UHFFFAOYSA-N 320.397 -0.206 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)[C@@H]2CCCCN2C)CC1 1227987149 UACBYEDCIOBCOI-HNNXBMFYSA-N 320.437 -0.199 30 20 DBED C=CCOCCN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CNC(=O)N1 1228262328 SHFKISSXEOHICU-UPJWGTAASA-N 310.398 -0.113 30 20 DBED N#CCN1CCC(NC(=O)CCNC(=O)[C@@H]2CCCO2)CC1 1230442638 PJQUVJYMYCCESZ-ZDUSSCGKSA-N 308.382 -0.224 30 20 DBED C#CCCN1CC[C@H]1CN(C)C(=O)Cn1ccc(=O)n(C)c1=O 1235007802 RJRCMGXRJTUTAA-ZDUSSCGKSA-N 318.377 -0.897 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)Cn1cc(C2CC2)nn1 1252981132 GCMVUOBWWHHRJQ-UHFFFAOYSA-N 307.310 -0.290 30 20 DBED CCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N1CCO[C@H](C#N)C1 1261083807 QTNOJFIDKAQGBN-GRYCIOLGSA-N 311.338 -0.952 30 20 DBED C#CCN1CCN(c2nnc(Cc3n[nH]c(C)n3)n2C)CC1 1262890153 IYEQZAGHDCHDAK-UHFFFAOYSA-N 300.370 -0.412 30 20 DBED C=CCNC(=O)CNC[C@H]1CCCN1C(=O)[C@H](C)NC(C)=O 1267949838 DFSYLGWLYFZPOX-WCQYABFASA-N 310.398 -0.606 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCN(C(=O)N2CCOCC2)CC1 1325103360 DZHHEHSJMQDCEK-ZDUSSCGKSA-N 309.366 -0.379 30 20 DBED Cc1nnc(CN(C)C(=O)C(=O)N2CCO[C@H](C#N)C2)s1 1328169431 HKYIXAOOTDBIGU-SECBINFHSA-N 309.351 -0.444 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)NCCN1CCSCC1 1343080758 QVFQHIJALJBFFV-LLVKDONJSA-N 301.412 -0.531 30 20 DBED CS(=O)(=O)CCNC(=O)C(=O)NCC#Cc1ccccc1 1344907677 GOVFVZUQZCRZNJ-UHFFFAOYSA-N 308.359 -0.685 30 20 DBED C#C[C@H](CC)NC(=O)C(=O)Nc1ncn(CC(=O)OCC)n1 1345678069 OUHBSPGZNORMLR-SECBINFHSA-N 307.310 -0.692 30 20 DBED N#Cc1cnn2c(O)cc(CN3CCN4C(=O)OC[C@@H]4C3)nc12 1365274141 GOOSJSBHFCTEAB-NSHDSACASA-N 314.305 -0.057 30 20 DBED COC(=O)[C@@H](NS(=O)(=O)c1cccc(CC#N)c1)[C@@H](C)O 1365735138 FVTBYHHVJHDPSR-SKDRFNHKSA-N 312.347 -0.047 30 20 DBED CCC(=O)NCC(=O)NC[C@@H](C)N(C)C(=O)c1cc(C#N)c[nH]1 1369807174 WTCBJWBYXZXHER-SNVBAGLBSA-N 319.365 -0.011 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCNC(=O)c1ccn(CCN(C)C)n1 1373473473 KWROBUQTIRSAQV-LBPRGKRZSA-N 320.397 -0.207 30 20 DBED C[C@@H](CNC(=O)c1nc2ncccn2n1)CNC(=O)[C@H](C)C#N 1375755047 OJMIMAFNCMFKPH-NXEZZACHSA-N 315.337 -0.234 30 20 DBED CCN(CCC#N)C(=O)CNC[C@@H](C)NC(=O)[C@H]1CCC(=O)N1 1379347388 IRRQUKCRFITNRV-VXGBXAGGSA-N 323.397 -0.879 30 20 DBED C[C@H](C#N)C(=O)N(C)C[C@H]1CCCN(C(=O)Cn2ncnn2)C1 1397084932 UKVNQLMVPXYZIU-VXGBXAGGSA-N 319.369 -0.470 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1c(Cl)cnn1C 1399839173 KUPZNQXFHONAOF-YUMQZZPRSA-N 313.745 -0.560 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]1CNC(=O)COCc1nncn1C 1400485273 NYOMCPRQJCKBLK-WDEREUQCSA-N 320.353 -0.792 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CN(C)C(=O)CCCn1cncn1 1413336908 PXLZPNUDXQTZPL-NWDGAFQWSA-N 322.369 -0.847 30 20 DBED CCOC(=O)CC1(NS(=O)(=O)CC2(C#N)CC2)COC1 1413469251 NODVADZWOCUKSE-UHFFFAOYSA-N 302.352 -0.068 30 20 DBED C[C@H](C#N)C(=O)NCC1CN([C@H](C)C(=O)NC(=O)NC2CC2)C1 1421134664 YGXFLAUTPVXJMM-NXEZZACHSA-N 321.381 -0.429 30 20 DBED CNC(=O)NC(=O)CNC[C@@H](C)CNC(=O)c1cc(C#N)c[nH]1 1421669679 BSULNVIXAJXBAE-SECBINFHSA-N 320.353 -0.703 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]1CNC(=O)CNC(=O)N1CCCC1 1433719480 PWPRMZXNWDMWQF-RYUDHWBXSA-N 321.381 -0.331 30 20 DBED CO[C@H](CNC(=O)NCCn1cc(C#N)c(O)nc1=O)C1CC1 1434807573 PSBFAZVZYDCJBK-LLVKDONJSA-N 321.337 -0.455 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(NC(=O)CCS(C)(=O)=O)CC1 1446776392 YYCFNXGHMUVYKP-JTQLQIEISA-N 315.395 -0.312 30 20 DBED C[C@@H](CNC(=O)c1ccc(C#N)[nH]1)CNC(=O)[C@H]1COCCO1 1451511573 WWYVGPWDXKIALK-GXFFZTMASA-N 320.349 -0.216 30 20 DBED N#C[C@H]1CN(C(=O)CCCS(N)(=O)=O)CCN1C1CC1 1454759249 MBPRGDJRRSTBKI-NSHDSACASA-N 300.384 -0.746 30 20 DBED CC(C)c1nccn1CC(=O)NC[C@@H](O)CNC(=O)[C@@H](C)C#N 1501526538 XPHWXYJYZMLZJI-NWDGAFQWSA-N 321.381 -0.241 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCCn1cnc(-c2nn[nH]n2)n1 1573350377 ATTDPWYXUSSWLQ-BDAKNGLRSA-N 304.314 -0.835 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](C)CN(C)c1ccc(-c2nn[nH]n2)nn1 1574793095 WLDLAXOQCNAGKL-DTWKUNHWSA-N 315.341 -0.243 30 20 DBED N#Cc1ccc(CNC(=O)[C@@H]2CCCN(CCN)C2=O)nc1 1580065210 BULKKYPXINLTAC-ZDUSSCGKSA-N 301.350 -0.233 30 20 DBED Cc1c(C#N)c(=O)n(Cc2ccc(-c3nn[nH]n3)o2)c(=O)n1C 1580525795 AHGSUYAWLOFBNG-UHFFFAOYSA-N 313.277 -0.452 30 20 DBED C#CCN(C(=O)C(=O)N(C)C[C@H](C)C(=O)O)C1CCN(C)CC1 1588396431 RWKGQBWWRAMXKQ-LBPRGKRZSA-N 323.393 -0.279 30 20 DBED C#CCN(CC(=O)O)c1nnc([C@@H]2C[C@H](O)CN2C)n1CC 1588426749 AZAOQYJCWUBXLR-QWRGUYRKSA-N 307.354 -0.440 30 20 DBED C#CCn1cc(CNS(=O)(=O)c2cc(C(=O)O)[nH]n2)cn1 1588509928 UYCFQBASMUIGCO-UHFFFAOYSA-N 309.307 -0.584 30 20 DBED N#Cc1nc(N)n(CC(=O)NCc2ccccc2)c1-c1nn[nH]n1 1592705770 CLTZFOJAFAATAZ-UHFFFAOYSA-N 323.320 -0.167 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)N[C@@]2(C(=O)O)CCOC2)cc1 1594617672 HRHAUWKSOMJAAC-HNNXBMFYSA-N 317.301 -0.352 30 20 DBED C/N=C(/NC[C@H](C)C(=O)O)N1CCN(c2cnn(C)c2)C(=O)C1 1598632826 KIKTWXVGELULFH-JTQLQIEISA-N 322.369 -0.635 30 20 DBED N#CCN(CC(=O)O)C(=O)Cc1nc(C2CCOCC2)n[nH]1 1601070167 XTIFKRFGBBHVKA-UHFFFAOYSA-N 307.310 -0.322 30 20 DBED C#CCN(CC#C)C(=O)C(=O)Nc1cccc(-c2nn[nH]n2)c1 1602720595 YIBBYAHPLMFKKL-UHFFFAOYSA-N 308.301 -0.100 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H](CC1OCCO1)C(=O)O 1602755294 NPTIYCLOAZLDCO-WDEREUQCSA-N 314.338 -0.210 30 20 DBED COC(=O)CC[C@H](NC(=O)Cc1noc(C)c1C#N)C(=O)O 1604320338 AALJENHHIQHXMV-VIFPVBQESA-N 309.278 -0.080 30 20 DBED N#Cc1ccc(C(=O)NCCNc2cnc(-c3nn[nH]n3)cn2)[nH]1 1606367993 VTHYNJWBWYNRCS-UHFFFAOYSA-N 324.308 -0.302 30 20 DBED N#Cc1nc(NC[C@H]2CCCS2(=O)=O)cnc1-c1nn[nH]n1 1606392818 FXMLJDMMJQBDKU-SSDOTTSWSA-N 320.338 -0.483 30 20 DBED COC(=O)[C@@H](Cn1ccnc1)NC(=O)[C@H](C)n1cnc(C#N)n1 1645779618 IODNJEWIPVGXFQ-VHSXEESVSA-N 317.309 -0.735 30 20 DBED C[C@H]1COCCN1C1CCN(C(=O)Cn2cnc(C#N)n2)CC1 1645987366 DDWQCLZQHUKIBM-LBPRGKRZSA-N 318.381 -0.139 30 20 DBED CN1CCN(CC(=O)NCc2cccc(OCC#N)c2)CC1=O 1649762952 PBKUZPJKYZULCS-UHFFFAOYSA-N 316.361 -0.021 30 20 DBED C#CCCN1CCC[C@H](NC(=O)CNS(=O)(=O)CC)C1 1713789642 KIQMGHDRQMDFDB-LBPRGKRZSA-N 301.412 -0.470 30 20 DBED N#CCNC(=O)CN[C@H]1C[C@@H](NC(=O)C[C@H]2CCCOC2)C1 1752774488 ZHCGKIGHVSIAED-UPJWGTAASA-N 308.382 -0.320 30 20 DBED C=CCNC(=O)CN1CC[C@H](N(CC)C(=O)[C@@H](C)CC(N)=O)C1 1753462541 VHJCCAJTOKWGHZ-STQMWFEESA-N 324.425 -0.277 30 20 DBED C=CCN1CC[C@@H](N[C@H](CC)CNC(=O)CNC(C)=O)C1=O 1753464720 RWWIURBWQOXZIK-CHWSQXEVSA-N 310.398 -0.606 30 20 DBED C#CCCN[C@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C[C@@H]1C 1753767048 BWDJOWKJBCUYHE-RYUDHWBXSA-N 318.381 -0.773 30 20 DBED CC(C)C#CC(=O)N[C@@H](C)CNCC(=O)N[C@@H](C)C(=O)N(C)C 1754266589 ZCDGHGVIIRFTPU-STQMWFEESA-N 324.425 -0.667 30 20 DBED C=CCN1CC[C@@H](NCCCN(C)C(=O)[C@H](C)NC(C)=O)C1=O 1754356026 DHVFULMQCFXEDQ-GXTWGEPZSA-N 324.425 -0.264 30 20 DBED C#CCNC1(CNC(=O)[C@@H](OC)[C@@H]2CCOC2)CCOCC1 1754738541 BJDCKUOMXKJOKP-KGLIPLIRSA-N 310.394 -0.074 30 20 DBED C#CCNC(=O)[C@H](C)NCCN(CCO)C(=O)[C@H]1CC1(F)F 1754882309 ZAIFQRVPNRAAFN-WDEREUQCSA-N 317.336 -0.810 30 20 DBED C#CCNC(=O)CN1CCOC[C@@H]1CNC(=O)c1cc[nH]c1C 1754964798 BSMOGOLHNUUWHG-ZDUSSCGKSA-N 318.377 -0.497 30 20 DBED C=CCn1cc(C(=O)N2CCC[C@](CO)(NC[C@@H](C)O)C2)nn1 1755089423 OTVATXPFNJRMQC-DOMZBBRYSA-N 323.397 -0.598 30 20 DBED CN1CC[C@@H](C(=O)N2CCC[C@@H]2CN(C)CC(=O)NCC#N)C1 1755200201 ICBYCKCMQQXYTG-ZIAGYGMSSA-N 321.425 -0.499 30 20 DBED C=CCN[C@@H](C)[C@H]1CN(C(=O)CCNC(=O)COC)CCO1 1755442964 ZDMMRQOWHRPQQC-QWHCGFSZSA-N 313.398 -0.469 30 20 DBED N#CCN[C@H](CO)CNC(=O)c1cnn(-c2cccnc2)c1 1755630142 BTVNIOVLSZOAMU-LBPRGKRZSA-N 300.322 -0.529 30 20 DBED CN(C(=O)[C@H]1CCCCO1)C1CC(NCC(=O)NCC#N)C1 1755855667 YPJLASGTIJMBMW-WXRRBKDZSA-N 308.382 -0.226 30 20 DBED CC(C)C#CC(=O)N1CC(CCO)(NC(=O)c2ncn(C)n2)C1 1756079456 CKNSERISOPIESH-UHFFFAOYSA-N 319.365 -0.832 30 20 DBED CNC(=O)CC(=O)N1CC([C@@H](C)NC(=O)c2ccc(C#N)[nH]2)C1 1756139801 ZTKRCXHYYNMAJP-SECBINFHSA-N 317.349 -0.401 30 20 DBED C#CCOCCC(=O)N[C@@H](C)C1CN(C(=O)[C@@H]2CCN(C)C2)C1 1756141665 GULXTXJQZBYUPT-UONOGXRCSA-N 321.421 -0.059 30 20 DBED C#CCCCCC(=O)NC[C@H](CO)NC(=O)c1cnn(C)n1 1756514106 RXKXJWIMGJETCS-LLVKDONJSA-N 307.354 -0.784 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(C(=O)[C@H](CC)NC(C)=O)C[C@H]1O 1756992154 RHGMMBISGVVBRW-BFHYXJOUSA-N 323.393 -0.608 30 20 DBED COCCN(CCC#N)c1nnc([C@]2(C)CNC(=O)C2)n1C 1772174014 GCPLQZRNVYJIQY-AWEZNQCLSA-N 306.370 -0.041 30 20 DBED Cn1c([C@@H]2C[C@H]2C#N)nnc1N1CCC[C@@H](NS(C)(=O)=O)C1 1772381841 NZLFAKNAJFJKHF-HBNTYKKESA-N 324.410 -0.040 30 20 DBED C#CCNC(=O)CNS(=O)(=O)c1csc(C(=O)O)c1 1776135032 GABCZEALYUEVLG-UHFFFAOYSA-N 302.333 -0.526 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@H]1C[C@@]2(C(=O)O)C[C@@H]12 1777209958 IJBFPSHGAIPSSC-NHCYSSNCSA-N 317.367 -0.454 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1c(C)noc1N)CCO2 1783049681 LCYFLKIGYQTUHR-OAHLLOKOSA-N 318.333 -0.358 30 20 DBED C=CCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CNC(=O)C3)C2)C1 1783166589 LZLZCODUXPQYSU-LRDDRELGSA-N 321.377 -0.472 30 20 DBED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCOC3)C[C@@H]21 1790794832 SMMRABURYIPDKD-XUXIUFHCSA-N 306.362 -0.364 30 20 DBED COC(OC)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C#CC(=O)O)C2 1793362252 YCVKORKQAPITOK-JGPRNRPPSA-N 324.333 -0.669 30 20 DBED N#CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CC1 1795408025 LMLUCFFOOGPWIE-PTEHBNRSSA-N 302.334 -0.207 30 20 DBED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)O)C2)C1 1840175886 KUFZLUCBCVAGNK-IUODEOHRSA-N 312.366 -0.600 30 20 DBED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)C(C)=O)C2)C1 1840841332 QNMXQTYMYVVBSA-MRXNPFEDSA-N 322.361 -0.555 30 20 DBED CNS(=O)(=O)c1cccc(C(=O)n2ncc(C#N)c2N)c1 64447020 UHXNHKCHFZGKQE-UHFFFAOYSA-N 305.319 -0.066 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCO[C@H](CC)C2)C1=O 64926540 QMLWALHGBHBKPW-SNVBAGLBSA-N 309.322 -0.399 30 20 DBED N#C[C@H]1CN(S(=O)(=O)c2cccc(-n3cnnn3)c2)CCO1 264375363 JXHOJMYRWVEETE-NSHDSACASA-N 320.334 -0.425 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@H](C)CCN(C)C)C1=O 286459919 JSRMEJYJALLWQV-CHWSQXEVSA-N 324.425 -0.312 30 20 DBED C=C[C@H](CO)NC(=O)NCCS(=O)(=O)N1CCSCC1 290955683 HEAFIMMBMZAUBG-SNVBAGLBSA-N 323.440 -0.789 30 20 DBED COC(=O)C[C@@H]1CSCCN1C(=O)Cn1cnc(C#N)n1 330538133 LAFLJKOHTGKAEW-SECBINFHSA-N 309.351 -0.343 30 20 DBED Cc1noc(C)c1CCNS(=O)(=O)N1CCO[C@@H](C#N)C1 337065531 KHZPGGJGJHLDIN-NSHDSACASA-N 314.367 -0.107 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC(C)(C)CCOC)C1=O 338868719 WUVLJYKMSPZJHU-UHFFFAOYSA-N 311.338 -0.106 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(C)CC(F)(F)F)C1=O 339402242 HCQPIYNGNLWEQW-UHFFFAOYSA-N 307.228 -0.016 30 20 DBED CC#CCCCC(=O)N(C)CC(=O)N[C@H]1CCS(=O)(=O)C1 342233624 RHRSGCMQQXTIJO-LBPRGKRZSA-N 314.407 -0.058 30 20 DBED CCc1nn(Cc2nc(=N)[nH]c(=N)[nH]2)c(=O)c(C#N)c1CC 346659228 AFNIFCYERLVQNV-UHFFFAOYSA-N 300.326 -0.702 30 20 DBED CC[C@@H]1CN(C)CCCN1S(=O)(=O)N1CCO[C@@H](C#N)C1 349632064 XVIURXBVSGYGSF-OLZOCXBDSA-N 316.427 -0.128 30 20 DBED N#Cc1cncc(S(=O)(=O)NCc2nnnn2CC2CC2)c1 352202053 WNOIMHVKACQTPT-UHFFFAOYSA-N 319.350 -0.172 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N(C)CCNC(=O)N(C)C 352337770 KQABXUSAXJWDNL-LLVKDONJSA-N 319.431 -0.084 30 20 DBED CC(C)[C@@H](NC(=O)c1cnn(C)c1C#N)C(=O)N1CCOCC1 356401726 USKNDWLDTAQLHM-CYBMUJFWSA-N 319.365 -0.095 30 20 DBED CN1CCC[C@H]1CN(C)S(=O)(=O)N1CCO[C@H](C#N)C1 420739138 OSVWSBAQLXOEOX-NWDGAFQWSA-N 302.400 -0.518 30 20 DBED N#Cc1ncn(CC(=O)N2CC[C@@H](OCCN3CCCC3)C2)n1 443867304 IUTVRXUVLXEIIF-CYBMUJFWSA-N 318.381 -0.137 30 20 DBED Cn1c(=O)nc(O)c2cc(S(=O)(=O)NCCC#N)cnc21 487367588 PLXJZRCYOCMMRK-UHFFFAOYSA-N 309.307 -0.774 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)CC[C@H]2CCOC2)CC1 491126303 MUAIUKVRWRUGDX-AWEZNQCLSA-N 307.394 -0.303 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCN2CCC)CC1 491736945 NOZVWGWXILDTAM-HNNXBMFYSA-N 320.437 -0.246 30 20 DBED CN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CC1=O 532375247 ZDSDPFSIBSHNMK-UHFFFAOYSA-N 324.318 -0.071 30 20 DBED CNC(=O)C1CN(C(=O)C(=O)Nc2ccc(C#N)cc2OC)C1 545298403 AAOBQNQERJCZAI-UHFFFAOYSA-N 316.317 -0.290 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N[C@H](CCCC(=O)O)C(=O)O 565054728 BHRXCSMPTHVOLC-RKDXNWHRSA-N 321.355 -0.237 30 20 DBED CC[C@@H](C#N)NC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C 565809317 ZDFJVUYMYDBJEF-QMMMGPOBSA-N 303.322 -0.392 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(C[C@H]2CCCNC2=O)c1=O 568842430 LTCZTWNTEMZJFP-LLVKDONJSA-N 320.349 -0.930 30 20 DBED O=C(C[C@@H]1CS(=O)(=O)c2ccccc2O1)NCC#CCO 568879611 CGNAAYYAYOGNBL-LLVKDONJSA-N 309.343 -0.277 30 20 DBED N#CCNC(=O)CNC(=O)Nc1ccc2c(c1)C(=O)NCC2 588248475 HOVDQBIXWHRBFC-UHFFFAOYSA-N 301.306 -0.266 30 20 DBED Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CC(C#N)C1 590485027 BDQIVPJRKOFCSA-QMMMGPOBSA-N 312.351 -0.060 30 20 DBED N#Cc1ccc(NCC(=O)N2CC(N3CC[C@@H](O)C3)C2)nc1 593857354 YAOJWVQMMFTUQX-CYBMUJFWSA-N 301.350 -0.357 30 20 DBED CC[C@@H](C#N)N(C)C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 594098714 YBEOSUIOPRIJGH-VIFPVBQESA-N 318.337 -0.806 30 20 DBED COCCN(CCO)C(=O)C(=O)Nc1cc(C)c(C#N)cn1 594301533 SJRYPFLDHIWQNK-UHFFFAOYSA-N 306.322 -0.333 30 20 DBED CCN1CCCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)[C@@H](C)C1 601439937 KHRSJRFRDXYLQD-STQMWFEESA-N 316.427 -0.128 30 20 DBED N#CCCN1CCN(C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)CC1 601579631 HVLULLKQEBTQFP-GFCCVEGCSA-N 305.382 -0.009 30 20 DBED C[C@@H]1COCCN1CCNC(=O)N1CCN(CCC#N)CC1 601583179 RWKVVBGROZZFPE-CQSZACIVSA-N 309.414 -0.052 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@@H](C)OCC2CC2)CC1 728531933 MMSHTIKPMUIYLW-CYBMUJFWSA-N 307.394 -0.305 30 20 DBED C#Cc1ccc(C(=O)N2CCN(CC(=O)NCC)CC2)cn1 728859097 NFMSBBYMLIFRPW-UHFFFAOYSA-N 300.362 -0.043 30 20 DBED C=CCOCC(=O)O[C@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 729765438 JYKPKFQYFDMLGK-GHMZBOCLSA-N 319.379 -0.234 30 20 DBED N#CCNC(=O)COC(=O)CCS(=O)(=O)C1CCCC1 731244672 VNVPYZCUTXQVID-UHFFFAOYSA-N 302.352 -0.083 30 20 DBED Cc1cc(NN=Cc2nc3c(c(O)nc(=O)n3C)n2C)ncn1 731935782 RAFSEUPIVMKHFS-UHFFFAOYSA-N 314.309 -0.083 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)CCCN(C)C(=O)O 736105602 AKDFQTBEEHKOQZ-UHFFFAOYSA-N 301.299 -0.069 30 20 DBED C#CCSCCNC(=O)[C@@H]1CCCN1C(=O)CNC(C)=O 739821923 ZOSISPHGQGOPEG-LBPRGKRZSA-N 311.407 -0.404 30 20 DBED C#CCOCCNC(=O)N[C@H]1CCc2nc(COC)nn2C1 753230350 UZHYVQNKMFYRPV-NSHDSACASA-N 307.354 -0.312 30 20 DBED C#CCOCCNC(=O)N(CCOC)[C@@H]1CCS(=O)(=O)C1 753382511 JLEZIOXFVFYJLP-GFCCVEGCSA-N 318.395 -0.519 30 20 DBED Cn1cc(S(=O)(=O)NN=C2CCCC2)c(=O)n(C)c1=O 771888369 BJHLCSCPYPORBR-UHFFFAOYSA-N 300.340 -0.708 30 20 DBED CCOC(=O)CON=C(C(=O)NCc1ccon1)c1cc[nH]n1 772348618 RDIQCUZLHQIMJK-UHFFFAOYSA-N 321.293 -0.002 30 20 DBED N#Cc1cccnc1NCCNC(=O)C(=O)N[C@@H]1CCOC1 787758857 LHRMWTSNOAPEQG-LLVKDONJSA-N 303.322 -0.614 30 20 DBED CN1CCN(c2ncc(C=NNc3cnnn3C)cn2)CC1 814982092 WRDAKTUNEXRGBE-UHFFFAOYSA-N 301.358 -0.197 30 20 DBED C[C@]12CCC(=O)N1[C@@H](C(=O)N[C@H]1CCCN(O)C1=O)CS2 820482424 JPWXNNAVOONUBQ-RWEMILLDSA-N 313.379 -0.063 30 20 DBED N#Cc1cccc([C@@H](C(=O)O)N2CC[C@@]3(C2)NC(=O)NC3=O)c1 833074510 ZLDICYTUZNUTCC-NHYWBVRUSA-N 314.301 -0.032 30 20 DBED C=CCNC(=O)CNC(=O)C1=C(C)N(C)c2nnnn2[C@@H]1C 847673221 LVDATOVOQOXJIL-SECBINFHSA-N 305.342 -0.624 30 20 DBED C#C[C@](C)(CC)N[C@@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O 852100291 GTJGVLAGXNHBCB-BJOHPYRUSA-N 306.366 -0.371 30 20 DBED C#CCO[C@H](C)C(=O)NCC(=C)CNC(=O)[C@@H](C)OCC#C 856338692 HABZWJNIIQRROL-ZIAGYGMSSA-N 306.362 -0.148 30 20 DBED C#CC[C@@H](CCOC)NC(=O)Cn1nc2n(c1=O)CCCC2 863779013 IINKTDLMJFLWGI-LBPRGKRZSA-N 306.366 -0.074 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)NCCC(C)C)CC1 891433427 HNKYGCAJCNXDLB-UHFFFAOYSA-N 316.427 -0.173 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N1CCOC[C@H]1COC 921901989 UOEPDUXCZBVICR-LLVKDONJSA-N 306.384 -0.356 30 20 DBED CCS(=O)(=O)N1CCC(NC(=O)NCC#CCO)CC1 923774488 YMMMORDZDWVADV-UHFFFAOYSA-N 303.384 -0.905 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](NC(=O)c2ccn(C)c(=O)c2)C1 938229460 JWBKHSMRMITILQ-PWSUYJOCSA-N 302.334 -0.124 30 20 DBED CN1CC[C@@H](C(=O)NC[C@H]2CCCN2C(=O)C#CC2CC2)C1=O 944009664 JHHMVTDQEMEWTD-KGLIPLIRSA-N 317.389 -0.015 30 20 DBED CCN(C(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1)C1CN(CC#N)C1 950094373 MURBJZXAURUCBN-NSHDSACASA-N 316.365 -0.181 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@@H]1CNC(=O)C1CS(=O)(=O)C1 950155653 MXJFCPRJPOYASH-LLVKDONJSA-N 314.407 -0.040 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N(C)C(=O)c2nc[nH]n2)C1 955021052 BUBKVHQYGMQLHO-MNOVXSKESA-N 305.338 -0.321 30 20 DBED C=CCN1C[C@H](CNC(=O)c2cn(CCOC)nn2)[C@@H](O)C1 958061836 CVUCBDBTCIRGHW-AAEUAGOBSA-N 309.370 -0.867 30 20 DBED N#CCN1C[C@H](CNC(=O)c2ccnc3[nH]cnc23)[C@@H](O)C1 958100924 IYHQBNFESYNIBA-ONGXEEELSA-N 300.322 -0.496 30 20 DBED C#CCCN1C[C@H](CNC(=O)c2cccc3ncnn23)[C@@H](O)C1 958224364 VHMWNWORLUNAIA-JSGCOSHPSA-N 313.361 -0.225 30 20 DBED N#Cc1ccc(C(=O)NC2[C@H]3CN(CCn4cncn4)C[C@H]23)[nH]1 958590611 SCEKQRJZJIFBEO-RYUDHWBXSA-N 311.349 -0.162 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2ccc(NC(N)=O)cc2)C1 958646020 ZSPDIXWIPVMZQY-TZMCWYRMSA-N 316.361 -0.167 30 20 DBED C=CCN1C[C@H](CNC(=O)c2ccc(C(N)=O)cn2)[C@@H](O)C1 958743979 DCZJYOZIVPYOCE-AAEUAGOBSA-N 304.350 -0.611 30 20 DBED CN(C(=O)[C@@H]1[C@H]2COC[C@H]21)[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 958929505 JDTIJFTUFBJHCL-HCZIRCDUSA-N 318.373 -0.678 30 20 DBED C#CCN1C[C@H]2C(NC(=O)c3ccc(=O)n(CCOC)n3)[C@@H]2C1 960935764 YZUCJXCARZHXEZ-VXGBXAGGSA-N 316.361 -0.817 30 20 DBED CC#CCN1C[C@H]2[C@H](NC(=O)[C@H]3CCc4nnnn4CC3)[C@H]2C1 961846577 MPLCQZCPMDDWBV-RMRHIDDWSA-N 314.393 -0.305 30 20 DBED C#CCCN1C[C@H]2C(NC(=O)c3cn([C@H]4CCOC4)nn3)[C@@H]2C1 962232831 SNBVSWMUAHKGKQ-YNEHKIRRSA-N 315.377 -0.077 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CCCN(C(=O)C(N)=O)CC2)cn1 965057690 WRODFJCHDXKMFQ-CYBMUJFWSA-N 314.345 -0.341 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C(N)=O)CC1(C)C 967140393 ARGJJMLZTRNZCR-WOPDTQHZSA-N 323.393 -0.194 30 20 DBED C=CCN1CC[C@@H](C)[C@H](NC(=O)Cn2ccc(O)nc2=O)C1 967274051 OQCJTRRWTFSVGN-VXGBXAGGSA-N 306.366 -0.039 30 20 DBED CCN(C(=O)c1ccc(C#N)[nH]1)C1CN(C(=O)c2cnn[nH]2)C1 967888971 OZUGDXSSQYLHOT-UHFFFAOYSA-N 313.321 -0.009 30 20 DBED C=C(C)CN1CC([C@H](C)NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 970518926 QQCXFTJCSSEGNN-NSHDSACASA-N 320.393 -0.290 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2C[C@@H](NC(=O)C(N)=O)C2)nc1 979085733 IRWQQSABZFUZLN-PHIMTYICSA-N 300.318 -0.827 30 20 DBED N#CCN[C@@H]1CCC[C@H](NC(=O)CN2CCCS2(=O)=O)C1 981124637 LBVYISNPDWIGIT-NEPJUHHUSA-N 314.411 -0.438 30 20 DBED C#CCN[C@H]1CCN(C(=O)CN2C(=O)NC(=O)C2(C)C)[C@@H]1C 987314741 DZJKXQVITXMLTH-MNOVXSKESA-N 306.366 -0.471 30 20 DBED C=CCn1cccc1C(=O)N1CC(NC(=O)[C@H]2COC(=O)N2)C1 991120158 OTSKQOHCBNIJOY-LLVKDONJSA-N 318.333 -0.277 30 20 DBED Cn1cc(C(=O)NC2CN(C(=O)C#CC3CC3)C2)n(C)c1=O 994287220 AQVXDTLGCPVOTN-UHFFFAOYSA-N 302.334 -0.922 30 20 DBED C=CCn1cc(C(=O)N2CC(NC(=O)[C@@H]3CO[C@@H](C)C3)C2)nn1 994641584 MULLPNWZERKAQC-QWRGUYRKSA-N 319.365 -0.170 30 20 DBED C#CCN[C@@H]1CN(C(=O)CCn2ncn(C)c2=O)CC1(C)C 996098591 KNYXZNBTWCYDLM-GFCCVEGCSA-N 305.382 -0.568 30 20 DBED O=C1NCCC[C@H]1C(=O)NCC1CN(C(=O)C#CC2CC2)C1 1002528130 CWJTYOQEEXBVSZ-CYBMUJFWSA-N 303.362 -0.499 30 20 DBED CCN1CCOC[C@H]1C(=O)NCC1CN(C(=O)[C@H](C)C#N)C1 1002971159 JCPLKKVBFZNCGH-YPMHNXCESA-N 308.382 -0.559 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)Cn2nccn2)C1 1007502972 JZIQCASBEBPDIJ-XUJVJEKNSA-N 316.365 -0.065 30 20 DBED C#CCCN1CCC[C@@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)C1 1008726125 MQCVIWIUGNZGFK-LLVKDONJSA-N 320.349 -0.989 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2C(CNC(=O)c3nccnc3N)[C@H]2C1 1008902390 TUOKCGYIPJOSRP-FBIMIBRVSA-N 314.349 -0.347 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C(=O)c2cnc(N(C)C)cn2)CC1 1011172876 AMLCABWMTAVSLH-NSHDSACASA-N 316.365 -0.013 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C(=O)c2cc(C(N)=O)ccn2)CC1 1011474412 FILWFQQDODYSTD-JTQLQIEISA-N 315.333 -0.375 30 20 DBED C#Cc1cncc(C(=O)N2CC[C@H](NC(=O)C(N)=O)[C@@H]2C)c1 1012053693 ZNAGZJBEFGNYHY-CABZTGNLSA-N 300.318 -0.733 30 20 DBED N#Cc1cc(C(=O)N2CC[C@]3(NC(=O)C(N)=O)CCC[C@@H]23)c[nH]1 1014445366 LYDZSNBGYKQHJJ-IAQYHMDHSA-N 315.333 -0.375 30 20 DBED C#CCN1CCC2(CC1)C[C@@H]2NC(=O)[C@@H]1CC(=O)NC(=O)N1 1016861246 UTEAHQIZVJYINO-QWRGUYRKSA-N 304.350 -0.812 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@H](NCC(=O)N3CCC3)C2)[nH]1 1018731043 MNBAWTFKNOIIKC-LBPRGKRZSA-N 301.350 -0.077 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCCO[C@H](CNC(C)=O)C1 1019493451 ZMPGDKQMKRRRRK-CABCVRRESA-N 307.394 -0.162 30 20 DBED C=CCN1CC[C@@H](N[C@H]2C[C@H](NC(=O)Cc3cc[nH]n3)C2)C1=O 1020041581 MXJPOFJVFIAHAT-MGPQQGTHSA-N 317.393 -0.024 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CN(C(=O)c3cc[nH]n3)C[C@H]2O)c[nH]1 1023455214 OQGARMWDZNLPDM-VXGBXAGGSA-N 314.305 -0.775 30 20 DBED C=C1CC(C)(C(=O)N2C[C@@H](O)[C@H](NC(=O)Cn3cncn3)C2)C1 1025729009 WAXDEYNAIZONHY-VXGBXAGGSA-N 319.365 -0.678 30 20 DBED C#CCN[C@@H]1CC[C@H]2CN(C(=O)c3cn(C)c(=O)nc3O)C[C@H]21 1026419971 ZVXKZLYCOKTSCF-DMDPSCGWSA-N 316.361 -0.441 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCC1CN(Cc2cnnn2C)C1 1031986681 AQBMXEHNEJERRJ-KGLIPLIRSA-N 305.382 -0.046 30 20 DBED C=CCCn1cc(C(=O)N2C[C@@H]3C[C@H]2CN3[C@H](C)C(N)=O)nn1 1032675253 OCTIKWXNNCEBRE-WOPDTQHZSA-N 318.381 -0.373 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1CNCc1nnnn1C 1035053617 DKQZSGIGSGSTEJ-UPJWGTAASA-N 320.397 -0.118 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H]2CCN2[C@H]2CCC(=O)NC2=O)c1 1038140097 NGQCUGOHDHYTJX-PWSUYJOCSA-N 315.333 -0.504 30 20 DBED C#CCCCC(=O)NC[C@@]1(O)CCN(C(=O)c2cn(C)cn2)C1 1039574561 VVBFRIHSNGMEQC-INIZCTEOSA-N 318.377 -0.083 30 20 DBED Cc1nn[nH]c1C(=O)N1CC[C@H](N=c2cc[nH]c(C#N)n2)[C@@H]1C 1040222015 ARZUIKWQYUBLGZ-UWVGGRQHSA-N 312.337 -0.088 30 20 DBED Cc1nc[nH]c1CC(=O)NC[C@@]1(O)CCN(C(=O)[C@H](C)C#N)C1 1040455312 XBEVKWJNOZYZLL-BMIGLBTASA-N 319.365 -0.500 30 20 DBED Cc1c[nH]c(C(=O)N2CC[C@@](O)(CNC(=O)[C@H](C)C#N)C2)n1 1040760892 ALYIZTJJYGASLM-YMTOWFKASA-N 305.338 -0.429 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@]2(CCN(Cc3nnn(C)n3)C2)C1 1041144877 BMCRKADGCUAXDU-FZMZJTMJSA-N 303.370 -0.206 30 20 DBED C=CCOCCCC(=O)N1CC(O)(CNC(=O)c2ccon2)C1 1041698753 GBQNSIJBTKZOFR-UHFFFAOYSA-N 323.349 -0.040 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)C[C@@H](C)NC(N)=O)C1 1041959858 BRHGDCHTXLQNBL-SNVBAGLBSA-N 312.370 -0.911 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)[C@H](CCC)OC)C1 1042043927 VVQKLOZFAYJVEG-LBPRGKRZSA-N 314.382 -0.306 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)Cc2ccc[nH]2)C1 1042052452 KDHOTYWWDGZLNX-UHFFFAOYSA-N 307.350 -0.551 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2cocn2)C1 1042059994 RMMOFYZBJZIZEA-JTQLQIEISA-N 307.306 -0.984 30 20 DBED CC[C@H](F)C(=O)N1CC(O)(CNC(=O)c2cc(C#N)c[nH]2)C1 1042401646 PGBYNFYNVRMAGA-JTQLQIEISA-N 308.313 -0.062 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)[C@H]2CC2(F)F)C1 1042919942 NVIPUNNSDVDUJK-VHSXEESVSA-N 318.320 -0.078 30 20 DBED Cc1cc(OCC(=O)NCC2(O)CN(C(=O)[C@@H](C)C#N)C2)no1 1043462472 YBZAGWVDYDDWBB-VIFPVBQESA-N 322.321 -0.789 30 20 DBED Cn1cc(C(=O)N[C@@H]2CN(c3ccc(C#N)cn3)C[C@@H]2O)cn1 1043856657 WAUGBFBRYXXZDB-OLZOCXBDSA-N 312.333 -0.334 30 20 DBED Cc1ncc(C(=O)N2CC(O)(CNC(=O)[C@@H](C)C#N)C2)s1 1045539921 AVQISHKAWZRXDW-QMMMGPOBSA-N 308.363 -0.086 30 20 DBED Cc1nc(C)c(C(=O)N2CC(O)(CNC(=O)[C@H](C)C#N)C2)[nH]1 1045554377 DOLGHDMUNCQKHT-MRVPVSSYSA-N 305.338 -0.511 30 20 DBED CC#CCN1CC[C@H](N2CCN(C(=O)[C@H]3CCC(=O)N3)CC2)C1 1046011580 FEYJKHWJFWHXIK-LSDHHAIUSA-N 318.421 -0.493 30 20 DBED C=C[C@H](CC)CC(=O)N1CC(O)(CNC(=O)Cn2cncn2)C1 1046875502 MNBSTIMDNUZYMO-GFCCVEGCSA-N 321.381 -0.430 30 20 DBED C#CCN1C[C@H]2C[C@@H](NC(=O)CN3CC(=O)NC3=O)C[C@H]1C2 1047162644 QJRPEJCJQCKIAJ-QJPTWQEYSA-N 304.350 -0.860 30 20 DBED C#CCOCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cocn2)C1 1048546960 AOICSMAIVHDWCF-STQMWFEESA-N 321.333 -0.642 30 20 DBED C#CCOCCC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CCOC2)C[C@@H]1O 1048844304 GZPAERKHLUREAU-RDBSUJKOSA-N 324.377 -0.907 30 20 DBED C#CCCN1C[C@H]2CN(C(=O)[C@@H]3CCCN3C(N)=O)C[C@H]2C1 1049250394 IWVRQKQCLCKRTE-MJBXVCDLSA-N 304.394 -0.057 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)C[C@@H]1CC(=O)NC1=O)C2 1050775883 ZLEMXXXSMPOCSJ-LBPRGKRZSA-N 303.362 -0.403 30 20 DBED C=CCCN1CCOC[C@H]1CNC(=O)[C@@H]1CCCN1C(N)=O 1051269837 YSSHVQKFLRRPBA-OLZOCXBDSA-N 310.398 -0.077 30 20 DBED C#CCCN1CCN([C@@H]2CCN(C(=O)[C@@H]3CCC(=O)N3)C2)CC1 1052110027 KNKGZFGGXHGPAL-CABCVRRESA-N 318.421 -0.493 30 20 DBED CC#CCN1CCN([C@@H]2CCN(C(=O)Cn3cncn3)C2)CC1 1052115450 WFBDGMFZWKPKJI-OAHLLOKOSA-N 316.409 -0.480 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)C3CC(=O)NC(=O)C3)CO2)C1 1053956036 XWUGATTUCDEZLC-GFCCVEGCSA-N 319.361 -0.978 30 20 DBED C#CCN[C@@H]1CN(C(=O)CN2C(=O)CC(C)(C)C2=O)C[C@@H]1C 1054654432 FCTFAJCSTWFAMR-NWDGAFQWSA-N 305.378 -0.159 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@](CO)(NC(=O)Cc2cnoc2)C1 1056067512 UCARPFJGHOTURG-ABAIWWIYSA-N 320.349 -0.154 30 20 DBED Cc1nnc(CC(=O)N2CC[C@@H](N=c3cc[nH]c(C#N)n3)C2)o1 1056624363 JMRNZYIZYPBNFF-SNVBAGLBSA-N 313.321 -0.283 30 20 DBED CN(c1nccnc1C#N)[C@@H]1CCN(C(=O)c2cnnn2C)C1 1056907978 DGXIBBIIZVBIKJ-SNVBAGLBSA-N 312.337 -0.172 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)[C@@H](C)SC 1057193969 VQANUKCYNUJWAO-LLVKDONJSA-N 304.412 -0.122 30 20 DBED N#Cc1c[nH]c(C(=O)N(CCO)CCNC(=O)C#CC2CC2)c1 1057291617 LLSXMNUQOKRKPR-UHFFFAOYSA-N 314.345 -0.150 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)Cc1ncc[nH]1 1057441609 LWNQAZBPARTTMP-UHFFFAOYSA-N 306.366 -0.307 30 20 DBED O=C(C[C@@H]1CCC(=O)N1)NCCN(CCO)C(=O)C#CC1CC1 1057531387 MCMRGPHZKKAAIB-ZDUSSCGKSA-N 321.377 -0.994 30 20 DBED N#Cc1cncc(N2CCC(NC(=O)[C@H]3CCNC3=O)CC2)n1 1057925000 MDLIRJAVWKGRHO-LBPRGKRZSA-N 314.349 -0.431 30 20 DBED C=C[C@H](C)[C@H](C)C(=O)N(CCO)CCNC(=O)CC(=O)NC 1058436142 XCPZOBNALBKARQ-RYUDHWBXSA-N 313.398 -0.482 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)CCc1ccn(C)n1 1058657191 SIAADQVKHOGKRD-LBPRGKRZSA-N 321.381 -0.551 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](CCNC(=O)CC(N)=O)C1 1059644400 PUNBWZNVWIEBQM-GFCCVEGCSA-N 309.366 -0.744 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1COCCN1C(=O)CN1CCCC1 1061571782 HBXGNQMTGIHREI-OAHLLOKOSA-N 319.405 -0.161 30 20 DBED COc1cc(C(=O)N2CCOC[C@@H]2CNC(=O)[C@H](C)C#N)on1 1061849156 ZXYKPWGGMODRAY-ZJUUUORDSA-N 322.321 -0.200 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)CCc1cnc[nH]1 1061852897 NUGZREBTQQJAPE-DGCLKSJQSA-N 319.365 -0.154 30 20 DBED C#CCOCCC(=O)NC1(CNC(=O)C2(C(N)=O)CC2)CCC1 1064286567 CVAFTYCYTCVXEY-UHFFFAOYSA-N 321.377 -0.553 30 20 DBED C=CCCC(=O)N1CCO[C@H](CNC(=O)c2ncn(C)n2)C1 1064955626 KEPCPFOEQJTRGX-LLVKDONJSA-N 307.354 -0.262 30 20 DBED C#CCCCC(=O)N1CCO[C@@H](CNC(=O)[C@H](C)NC(C)=O)C1 1065099650 MTMKWYRSXLHCLQ-JSGCOSHPSA-N 323.393 -0.342 30 20 DBED N#Cc1cncc(N2C[C@H]3CN(C(=O)Cn4cncn4)C[C@H]3C2)n1 1066007322 CTCLVZOSRNOBPL-TXEJJXNPSA-N 324.348 -0.465 30 20 DBED Cc1nn[nH]c1C(=O)N1C[C@@H]2CN(c3ccc(C#N)nn3)C[C@@H]2C1 1066050896 XRTWDIDMRSCQJQ-PHIMTYICSA-N 324.348 -0.017 30 20 DBED C[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@@H]1Nc1nccnc1C#N 1067186581 HJZYIJHIHKNIDK-KOLCDFICSA-N 314.349 -0.127 30 20 DBED N#Cc1cncc(N2C[C@@H](O)[C@@H](CNC(=O)c3cn[nH]c3)C2)n1 1067651558 NGQVILKZWQSMBA-CMPLNLGQSA-N 313.321 -0.702 30 20 DBED CCc1nc(C#N)cc(N2CC[C@@H](C)[C@H](NC(=O)C(N)=O)C2)n1 1067990209 QBXUQXQTPIYHTC-MWLCHTKSSA-N 316.365 -0.273 30 20 DBED C=CCCCC(=O)N1CC2(C[C@H](NC(=O)CNC(N)=O)CO2)C1 1068690871 VEOPAPUYNBZQQM-NSHDSACASA-N 324.381 -0.503 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)c2cnc(O)n2C)CC1 1070985771 WAYADULERRNRAZ-UHFFFAOYSA-N 319.365 -0.977 30 20 DBED C[C@H]1CN(C(=O)c2cnn(C)c2N)C[C@]2(CCN(CC#N)C2)O1 1071158736 ALQQOQFTCPEHDL-XHDPSFHLSA-N 318.381 -0.169 30 20 DBED C[C@H]1CN(C(=O)c2ncn(C)n2)C[C@@]2(CCN(CC#N)C2)O1 1071164866 UBNWERNNWFXECC-FZMZJTMJSA-N 304.354 -0.356 30 20 DBED C=CCOCC(=O)N1C[C@H](C)[C@H](NC(=O)c2cnnc(O)c2)C1 1071810583 BLUZHKYZNAEZGG-CMPLNLGQSA-N 320.349 -0.039 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](NC(=O)C2(C(N)=O)CC2)[C@H](C)C1 1072048489 LLHVTBJGVJGRFC-VXGBXAGGSA-N 305.378 -0.126 30 20 DBED C#CCCN1CCCO[C@@H](CNC(=O)[C@@H]2CCNC(=O)C2)C1 1073572101 RDMMITYWNYVDQB-KGLIPLIRSA-N 307.394 -0.257 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)C3CN(C(C)=O)C3)C[C@H]21 1074225538 FQWBCQQJHBEVGG-HUUCEWRRSA-N 305.378 -0.600 30 20 DBED C[C@H]1[C@@H](N[C@@H]2CCC(=O)NC2=O)CCN1C(=O)C#CC1CC1 1074646531 AHOBKWJNYFBORM-WCFLWFBJSA-N 303.362 -0.216 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H](C)CCNC(=O)c1ccc(O)nn1 1075511102 RDJFGLRMJIXSIN-QWRGUYRKSA-N 320.349 -0.155 30 20 DBED C[C@@H]1CCn2cc(C(=O)N[C@@H]3CN(CC#N)C[C@H]3O)nc2C1 1077223523 GXXFVAPGSLISFA-NQBHXWOUSA-N 303.366 -0.236 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@H](C)NC(=O)Cn1cnnn1 1078533399 LDTIIUKLXLBVLU-TUAOUCFPSA-N 322.369 -0.725 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1NC(=O)CN1C(=O)CC(C)(C)C1=O 1079697925 BLJRCIJYUZRMKZ-GHMZBOCLSA-N 306.366 -0.268 30 20 DBED CCN(C(=O)C[C@H](C)NC(N)=O)C1CN(C(=O)C#CC2CC2)C1 1079780869 ROCWDECXIKVDTL-NSHDSACASA-N 320.393 -0.094 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)CCn2cncn2)C[C@@H]1O 1081333840 YHOPIKKZTRDGLK-STQMWFEESA-N 321.381 -0.430 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(C(=O)c2cn[nH]c2)C[C@@H]1O 1081468620 MDAQFHSNIZIHMX-STQMWFEESA-N 302.334 -0.628 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cnn(C)n2)C1 1081600427 GAJSSJKZWQFRAC-CMPLNLGQSA-N 307.354 -0.670 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@H](CNC(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1081671749 PRXYOYYITIBXGY-NJURLYQPSA-N 320.389 -0.382 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1C[C@@H](C)CC(=O)N1 1083084605 WYQOZMNUJRWEEF-YIYPIFLZSA-N 305.378 -0.554 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)C[C@H]2CCCS2(=O)=O)C1 1083670470 BLKSKWPUGMHQOV-UTUOFQBUSA-N 302.396 -0.699 30 20 DBED C=CCn1cc(C(=O)N2C[C@H]3CCN(CC(N)=O)C[C@H]32)nn1 1084709182 PJVVOWFACDISAJ-ZYHUDNBSSA-N 304.354 -0.904 30 20 DBED C#CCN[C@H]1C[C@H](CNC(=O)[C@@H]2CCc3nnnn3CC2)C1 1086484118 JBRWYZHCABGNRT-JHJVBQTASA-N 302.382 -0.257 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2nnc(O)nc2O)[C@H]1CC 1087642420 OBFWTNPXCNIIEP-VHSXEESVSA-N 305.338 -0.111 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)Cn1cnnn1)Nc1cnc(C#N)cn1 1089214028 DTVBBGAKJCGDJZ-VHSXEESVSA-N 315.341 -0.270 30 20 DBED CC[C@@H](C(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1O)N(C)C 1090455004 NBSIPSUWWRACJJ-QLFBSQMISA-N 317.393 -0.041 30 20 DBED COC(=O)NCC(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1C 1090660714 DVJKNOVAZDEQHE-MWLCHTKSSA-N 318.337 -0.355 30 20 DBED C=CCCN1CC[C@H](NC(=O)c2cn(C)c(=O)nc2O)[C@@H](O)C1 1090805670 PIKOIROXJUBZAZ-RYUDHWBXSA-N 322.365 -0.773 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1C[C@H](Nc2ccc3nnnn3n2)C1 1091444295 BJAXZVJGLOVCMN-OPRDCNLKSA-N 300.326 -0.014 30 20 DBED C=CCN1C[C@@H]2CN(C(=O)CN3CCNC(=O)C3)C[C@]2(C)C1 1091912903 MSPBULRXFSXZBV-CJNGLKHVSA-N 306.410 -0.616 30 20 DBED C[C@@H]1[C@@H](NC(=O)CS(C)(=O)=O)CCN1c1ccc(C#N)nn1 1091935413 JSNSMWAARWCZKE-KOLCDFICSA-N 323.378 -0.524 30 20 DBED Cc1nc(N2CC[C@@H](NC(=O)CC(N)=O)[C@@H](O)C2)ccc1C#N 1092134800 RJUGIUHXTXZTRR-NEPJUHHUSA-N 317.349 -0.807 30 20 DBED CN(C)CCC(=O)N[C@@H]1CCN(c2cncc(C#N)n2)C[C@H]1O 1092175240 ZGWDDCSBTCVSFW-CHWSQXEVSA-N 318.381 -0.644 30 20 DBED Cc1nc(N2CCN(C(=O)[C@H](C)NC(N)=O)CC2)ccc1C#N 1093145434 PRNDPTOKLLPLMD-NSHDSACASA-N 316.365 -0.033 30 20 DBED CC(C)N1CCO[C@H](C(=O)NCCN=c2cc[nH]c(C#N)n2)C1 1094082735 CIALEAOPNAATKY-LBPRGKRZSA-N 318.381 -0.593 30 20 DBED N#Cc1cncc(NCCCNC(=O)CCn2cncn2)n1 1094308782 KFPOPFXKXHIHGB-UHFFFAOYSA-N 300.326 -0.052 30 20 DBED CS[C@@H](C)C(=O)N1CCN(CC#N)[C@H]2CS(=O)(=O)C[C@H]21 1094608906 NZIVNNWOIPUQOI-GARJFASQSA-N 317.436 -0.429 30 20 DBED COC[C@H](OC)C(=O)NCCCN(C)c1nccnc1C#N 1095734119 XAVXKNORNWBDLH-LBPRGKRZSA-N 307.354 -0.048 30 20 DBED N#Cc1nccnc1N(CCCNC(=O)CNC(N)=O)C1CC1 1096001390 DRKGWBPJCBEQRT-UHFFFAOYSA-N 317.353 -0.508 30 20 DBED CCC(=O)NCC(=O)N[C@@H]1CCN(c2cncc(C#N)n2)C1 1096331843 SOEQYMZLNJMBMU-SNVBAGLBSA-N 302.338 -0.431 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H](CNC(=O)[C@@H]1COC(=O)N1)C1CC1 1096660781 ZVBCXQKRPFRXNN-STQMWFEESA-N 315.333 -0.210 30 20 DBED CNC(=O)NCC(=O)N1CC[C@H](N=c2cc[nH]cc2C#N)C1 1096979717 FAUDJYHWCWKSDZ-NSHDSACASA-N 302.338 -0.683 30 20 DBED CNC(=O)CC(=O)NC[C@H]1CCCN(c2ccnc(C#N)n2)C1 1097296105 TVEIQSLNXDKAKL-LLVKDONJSA-N 316.365 -0.183 30 20 DBED C[C@H](CNC(=O)c1cnn(C)c1N)Nc1nccnc1C#N 1097762069 CGFXIRUFXFPDTH-MRVPVSSYSA-N 300.326 -0.106 30 20 DBED C[C@H](CNC(=O)[C@H]1CCC(=O)NC1)Nc1ccc(C#N)nn1 1098397653 RJGDPIYHWZAOMT-ZJUUUORDSA-N 302.338 -0.209 30 20 DBED O=C(C#CC1CC1)N1CC[C@@H](n2cc(CNCCCO)nn2)C1 1098672680 IUKWBHSYJQSPGN-OAHLLOKOSA-N 317.393 -0.063 30 20 DBED N#CCNCc1cn([C@H]2CCN(C(=O)c3nc[nH]n3)C2)nn1 1098751852 RQPYUDJUXGKJDL-JTQLQIEISA-N 301.314 -0.903 30 20 DBED CC1(C)CC[C@H](CNC(=O)CC(N)=O)N(CC(=O)NCC#N)C1 1098994234 VBZOUSHXTBKKKR-LLVKDONJSA-N 323.397 -0.892 30 20 DBED C[C@@H](CCNC(=O)[C@@]1(C)CNC(=O)C1)N=c1cc[nH]c(C#N)n1 1099597720 JEJXLMJMOPTFEW-ZUZCIYMTSA-N 316.365 -0.397 30 20 DBED N#CCNC(=O)CN1CC[C@@H](NC(=O)c2ccsc2)[C@@H](O)C1 1099650218 BMSLFGRVTIIWLV-NEPJUHHUSA-N 322.390 -0.447 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)CSCC#N)[C@H](O)C1 1099692549 CTLQSFNYUPKYCH-QWHCGFSZSA-N 313.423 -0.003 30 20 DBED C#CCCN1CC[C@H](NC(=O)CCc2ccnn2C)[C@H](O)C1 1099861647 WTYGWTBKGMGOLF-LSDHHAIUSA-N 304.394 -0.073 30 20 DBED C=CCCN1CC[C@@H](NC(=O)CCCCNC(N)=O)[C@H](O)C1 1099909612 WOBYOMZYVVDEMN-CHWSQXEVSA-N 312.414 -0.048 30 20 DBED CN(CCNC(=O)CSCC#N)c1nccn2nnnc12 1099938778 GOMPLYOVUOQLLX-UHFFFAOYSA-N 306.355 -0.672 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2ccnnc2)[C@@H](O)C1 1100013933 VRXFOXJZLVYNOC-KBPBESRZSA-N 304.350 -0.709 30 20 DBED CN(CCNC(=O)[C@H]1CC[C@H]1C(N)=O)c1ccc(C#N)nn1 1100268763 HQIDXUWQGVRIED-MNOVXSKESA-N 302.338 -0.588 30 20 DBED COCC1(CC(=O)NCC2CC(NCC(=O)NCC#N)C2)CC1 1100319450 MMCBPUSVQMOMHA-UHFFFAOYSA-N 322.409 -0.073 30 20 DBED CCN(CCNC(=O)[C@@H]1COC(=O)N1)c1nc(C)cc(C#N)n1 1100511060 KOFDFNQXYNMUIX-NSHDSACASA-N 318.337 -0.292 30 20 DBED C=CCCNC1CC(CNC(=O)CNS(=O)(=O)NC)C1 1100537067 CODTXZPOCBDMQB-UHFFFAOYSA-N 304.416 -0.899 30 20 DBED CCN(CCNC(=O)C1(C(N)=O)CC1)c1cnc(C#N)cn1 1100699065 XKASAWXQFWZBPA-UHFFFAOYSA-N 302.338 -0.444 30 20 DBED N#CCNC(=O)CNC1CC(CNC(=O)c2ncccc2F)C1 1100783655 SIVFFWPXOOSDCB-UHFFFAOYSA-N 319.340 -0.042 30 20 DBED CNC(=O)NCC(=O)NC[C@H]1CCCN1c1ccncc1C#N 1100915114 KVUFPVRTZZDMLF-GFCCVEGCSA-N 316.365 -0.033 30 20 DBED C#CCCNC1CC(CNC(=O)CC[C@H]2NC(=O)NC2=O)C1 1100959489 WGSHLPNWDJTXAX-HTAVTVPLSA-N 306.366 -0.518 30 20 DBED N#Cc1ccc(N2CC[C@@H](CNC(=O)CCNC(N)=O)C2)nn1 1100979830 AZIFBDRAUWDJDJ-JTQLQIEISA-N 317.353 -0.651 30 20 DBED CCCN(CCNC(=O)[C@@H]1CNC(=O)N1)c1ccc(C#N)nc1 1101235798 IGKRZGURNUUSIF-ZDUSSCGKSA-N 316.365 -0.033 30 20 DBED CN(CCNc1cnc(C#N)cn1)C(=O)[C@H]1CCCS1(=O)=O 1101641971 JFQIMIJXAKBNER-LLVKDONJSA-N 323.378 -0.204 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)c1cccn2nnnc12 1101789757 OCKNXRULVXFYSK-UHFFFAOYSA-N 323.320 -0.608 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)CCOC)C1 1102626994 GNOQBYKPGCCEBH-ZIAGYGMSSA-N 309.410 -0.154 30 20 DBED CC[C@@H](CNC(=O)[C@@H](C)NC(C)=O)N=c1cc[nH]c(C#N)n1 1102977889 LLKQTROBEKIBMM-KOLCDFICSA-N 304.354 -0.399 30 20 DBED CC[C@@H](CNC(=O)[C@@H]1CCC(=O)NC1)N=c1cc[nH]c(C#N)n1 1103368148 UGSIPQPDHODZIZ-MNOVXSKESA-N 316.365 -0.397 30 20 DBED C[C@H](CNC(=O)[C@H](C)NC(N)=O)CNc1nccnc1C#N 1103935358 YOXJYQKBUPPXHE-IUCAKERBSA-N 305.342 -0.431 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CN(c2ncnc3[nH]cnc23)CCO1 1104302046 OWLPSCGJPPMTEB-ZJUUUORDSA-N 315.337 -0.166 30 20 DBED C#CCNCc1cn(C2CN(C(=O)c3ncccc3O)C2)nn1 1105218047 UMVLNHMBBAODIE-UHFFFAOYSA-N 312.333 -0.201 30 20 DBED CCC(=O)NCC(=O)N(C)CCN(C)c1cncc(C#N)n1 1105370760 LKVIXIGRQQCHGX-UHFFFAOYSA-N 304.354 -0.231 30 20 DBED CN(CCN(C)c1cnc(C#N)cn1)C(=O)c1cnn(C)c1N 1105375083 KMWOIWFAUYZIIG-UHFFFAOYSA-N 314.353 -0.128 30 20 DBED COCC[C@H](C)C(=O)N1CC(n2cc(CNCC#N)nn2)C1 1105375704 LMMRUXOGYTXTHG-NSHDSACASA-N 306.370 -0.053 30 20 DBED N#Cc1cncc(NC[C@@H]2CCC[C@H]2NC(=O)CNC(N)=O)n1 1105635505 MVRZZGUQAABJNQ-GXSJLCMTSA-N 317.353 -0.287 30 20 DBED CC(=O)N[C@H](C)C(=O)NC[C@H](O)CNc1nc(C)ccc1C#N 1105734803 DXYULLJGEXLFQR-ZWNOBZJWSA-N 319.365 -0.325 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H](O)CNC(=O)[C@H]1CCCOC1 1105742717 SYOCPAAOMOQXQE-AAEUAGOBSA-N 304.350 -0.309 30 20 DBED CCn1cnc(C(=O)NC[C@H](O)CNc2nccnc2C#N)c1 1105916410 MGSQKAKSNAMECG-SNVBAGLBSA-N 315.337 -0.233 30 20 DBED Cc1nsc(NC[C@H](O)CNC(=O)c2cnon2)c1C#N 1105928253 LFLDUZYWKIAYGZ-SSDOTTSWSA-N 308.323 -0.091 30 20 DBED Cc1nc(C(=O)NC[C@H](O)CN=c2cc[nH]c(C#N)n2)c(C)o1 1105942463 CPOOKKXQAGNFSU-SNVBAGLBSA-N 316.321 -0.422 30 20 DBED Cc1ccc(C#N)c(NC[C@@H](O)CNC(=O)[C@H]2CCNC2=O)n1 1106052365 YMVNGBVAPFGMEC-NEPJUHHUSA-N 317.349 -0.713 30 20 DBED CC(=O)NC(C)(C)C(=O)NC/C=C/CN=c1cc[nH]c(C#N)n1 1107259829 WJPYWVCYNDXEHG-SNAWJCMRSA-N 316.365 -0.231 30 20 DBED COCC#CCN1CCO[C@](C)(CNC(=O)c2cn(C)cn2)C1 1107871276 AZEQGZYSRMMAEX-MRXNPFEDSA-N 320.393 -0.109 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)C(=O)NCC(F)F 1108006659 ZKFOSGITVDBECS-SSDOTTSWSA-N 312.280 -0.932 30 20 DBED Cc1cc(=NC[C@@H](C)NC(=O)C2(C(N)=O)CC2)c(C#N)c[nH]1 1108097523 ABTITMNGZJLOAX-SNVBAGLBSA-N 301.350 -0.134 30 20 DBED C=CCN1CCO[C@@](C)(CNC(=O)COCc2nncn2C)C1 1108314671 QGPAQVJVRBFPPJ-HNNXBMFYSA-N 323.397 -0.275 30 20 DBED COCCCCN1CC(N2C[C@@H](NC(=O)[C@H](C)C#N)CC2=O)C1 1108527055 BNAJKAUETKEGBT-OLZOCXBDSA-N 322.409 -0.026 30 20 DBED Cc1nc(CC(=O)N[C@@H](C)CN(C)c2ccc(C#N)nn2)n[nH]1 1108955251 JVKROUVENPFPAA-VIFPVBQESA-N 314.353 -0.042 30 20 DBED C[C@H](CN(C)c1ccc(C#N)cn1)NC(=O)C1CS(=O)(=O)C1 1109116588 JRZDNQIEKKZJRI-SNVBAGLBSA-N 322.390 -0.061 30 20 DBED Cc1cc(=NCCCN(C)C(=O)[C@H]2CNC(=O)N2)c(C#N)c[nH]1 1109598731 LGOVEXLXAKSWFB-CYBMUJFWSA-N 316.365 -0.375 30 20 DBED CNC(=O)NCCC(=O)NCC1(Nc2nccnc2C#N)CC1 1110129569 PABRDFQSVMWGNU-UHFFFAOYSA-N 317.353 -0.272 30 20 DBED CC(C)CO[C@H](C)C(=O)N1CCN(CC(=O)NCC#N)CC1 1112657752 WUHAIONZAIFIAN-CYBMUJFWSA-N 310.398 -0.169 30 20 DBED C#CCNC(=O)CC(=O)N1CCN(CC(=O)N(CC)CC)CC1 1112774193 KTFDLQYISVZKKA-UHFFFAOYSA-N 322.409 -0.862 30 20 DBED COCC#CCN1CCN(C(=O)c2cccn(C)c2=O)CC1 1113552394 BRMZDYGYBQLVJX-UHFFFAOYSA-N 303.362 -0.207 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CCNC(=O)C1)N(C)c1ccc(C#N)nn1 1113575491 WFDQGUFRKBNAPT-WDEREUQCSA-N 316.365 -0.185 30 20 DBED C=CCOCC(=O)NC1[C@@H]2CN([C@H](C)C(=O)NC(=O)NC)C[C@@H]12 1114050722 HXRDEHMILHKJJK-GMTAPVOTSA-N 324.381 -0.921 30 20 DBED Cc1cn(C)nc1C(=O)NC1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]12 1114246113 QARCXWMXFRRFJT-GHMZBOCLSA-N 316.365 -0.972 30 20 DBED Cc1nn(C)c(C)c1OCC(=O)N[C@H]1[C@@H]2CN(CC#N)C[C@@H]21 1114291399 XYYQGKMUYRZOQJ-IMRBUKKESA-N 303.366 -0.014 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)C(C)(C)NC(C)=O)[C@@H]2C1 1114981962 FIKXSPKOJXTVCT-VXGBXAGGSA-N 322.409 -0.750 30 20 DBED C=CCCOCC(=O)N[C@H]1[C@@H]2CN(CC(=O)NC(=O)NC)C[C@@H]21 1115326775 SSUKQSHCSHQREF-YABSGUDNSA-N 324.381 -0.919 30 20 DBED O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)N1CC=CCC1 1117318574 WNGRMVYGHLSCSE-SEYXRHQNSA-N 318.333 -0.583 30 20 DBED Cc1ccc(C(=O)NC[C@@H](CO)Nc2ccc(C#N)nn2)nn1 1121445840 FKAUNDZKIXAAQE-NSHDSACASA-N 313.321 -0.351 30 20 DBED C=CCn1c(N(C)CCS(C)(=O)=O)nnc1C1(O)CC1 1121533513 FXQDUGYUZBQOMW-UHFFFAOYSA-N 300.384 -0.074 30 20 DBED CN1CC[C@@H](C(=O)NC[C@@H](CO)Nc2ncc(C#N)cc2F)C1 1121591707 VBRVVCZXUJKFMW-NEPJUHHUSA-N 321.356 -0.067 30 20 DBED Cc1ncn(C)c1C(=O)NC[C@@H](CO)Nc1cncc(C#N)n1 1122147931 PSNYFXOKJYSZBA-NSHDSACASA-N 315.337 -0.407 30 20 DBED Cc1cncn1CC(=O)NC[C@@H](CO)Nc1cnc(C#N)cn1 1122238786 KHUNLDFTRKVNQU-LBPRGKRZSA-N 315.337 -0.558 30 20 DBED CN1CCCC[C@H]1C(=O)NC[C@@H](CO)Nc1nccnc1C#N 1122342678 QXUBMQCDSANIOJ-AAEUAGOBSA-N 318.381 -0.278 30 20 DBED N#Cc1nc(=N[C@H](CO)CNC(=O)[C@@H](F)C(F)(F)F)cc[nH]1 1122761327 QKPZUIKWQYBFOK-IMTBSYHQSA-N 321.234 -0.440 30 20 DBED C[C@H](CNCCNC(=O)c1c[nH]c(C#N)c1)CS(C)(=O)=O 1125995132 VEBRDRGNLPLOEC-SNVBAGLBSA-N 312.395 -0.114 30 20 DBED C=CCCCCCNCCNC(=O)Cn1cnc(C(N)=O)n1 1127653563 YBRJFMWPXZIQCL-UHFFFAOYSA-N 308.386 -0.171 30 20 DBED C=CCNCc1nnc2n1CC[C@@H](NC(=O)c1cnn[nH]1)CC2 1128005964 ODQBZABDOBHYRH-JTQLQIEISA-N 316.369 -0.193 30 20 DBED C=CCn1cccc1C(=O)NCCNCCNS(C)(=O)=O 1129503121 WSHXTYBNOGKDCW-UHFFFAOYSA-N 314.411 -0.457 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)c1ccsn1 1130098559 HRMLZEDXVLOAJW-UHFFFAOYSA-N 311.367 -0.526 30 20 DBED C#CCN1CCN([C@H]2CCCN(C(=O)CCN(C)C)C2)C(=O)C1 1131716044 BPNGLWVJJOVCQJ-HNNXBMFYSA-N 320.437 -0.294 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2cn(C)cn2)CC[C@H]1C 1131955722 PSZYWLNDSMPSCZ-OLZOCXBDSA-N 317.393 -0.248 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1ncoc1[C@@H]1CCCO1 1132355489 AXEVGEPHIDNEMD-JTQLQIEISA-N 321.337 -0.515 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1ncsc1C1CC1 1133784291 RRLQVQUSYPXATF-UHFFFAOYSA-N 307.379 -0.020 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NCCN[C@H]1CCN(C)C1=O 1134817127 NYUDQHFKTBSYPR-STQMWFEESA-N 310.398 -0.606 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)C(C)(C)CNC(C)=O 1135178271 RPKWJZDFXORZFZ-NSHDSACASA-N 312.414 -0.455 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)c1[nH]cnc1C 1146815067 TWKWYGARIMOURR-GHMZBOCLSA-N 305.382 -0.046 30 20 DBED C#CCO[C@H](C)C(=O)N1CC2(CCN(Cc3nncn3C)C2)C1 1147531020 VKAJCBNICPKIPO-CYBMUJFWSA-N 317.393 -0.112 30 20 DBED N#CCN1CCCO[C@H](CNC(=O)CNC(=O)c2ccoc2)C1 1149752961 LTFKNVCWBXYYDS-CYBMUJFWSA-N 320.349 -0.260 30 20 DBED C#CCN1CCC(CCOC)(NC(=O)CCNC(=O)NC)CC1 1151095637 AVMPFBOYIQJFQB-UHFFFAOYSA-N 324.425 -0.074 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)Cc1ccn(C)n1 1153273486 LZRKRUBEQLVGIX-GFCCVEGCSA-N 320.397 -0.571 30 20 DBED N#Cc1ccc(C(=O)NCCCNC[C@H](O)Cn2cccn2)[nH]1 1156703616 XAKRTEVQKAJGQJ-ZDUSSCGKSA-N 316.365 -0.147 30 20 DBED C#CCNC(=O)CC(=O)NCCCN[C@@H](C)c1nc(C)no1 1156857570 VRGHEOREIWHPJO-JTQLQIEISA-N 307.354 -0.326 30 20 DBED C=CCNC(=O)CNCCCNC(=O)c1cnn2ccncc12 1160011265 QGBSOBAUKSBWCV-UHFFFAOYSA-N 316.365 -0.259 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)[C@@H]1CCCNC1=O 1160441393 PYEWZVQFSIILLQ-NWDGAFQWSA-N 310.398 -0.701 30 20 DBED N#CCNC(=O)CNCCCNC(=O)[C@@H]1CC[C@H]2CCCCN12 1160867967 JCNIBEPRDAZFPW-KGLIPLIRSA-N 321.425 -0.261 30 20 DBED C#CCNCC1(CCNC(=O)CN(C)S(=O)(=O)CC)CC1 1167569361 CPLSCRZXJHBMDZ-UHFFFAOYSA-N 315.439 -0.223 30 20 DBED C=CCO[C@@H](C)C(=O)NCCCNCC(=O)NCCOCC 1177269594 RTJCDGKXYGNBDI-ZDUSSCGKSA-N 315.414 -0.174 30 20 DBED C=CCN(CC=C)C(=O)CNCCCCCCNC(=O)C(N)=O 1179447225 XZMJZEBMSAGCJK-UHFFFAOYSA-N 324.425 -0.062 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 1183450480 RRUJGYDPXSLINI-KFWWJZLASA-N 322.453 -0.099 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H](CNCC(N)=O)[C@@H](C)C2)nn1 1185259166 CJOZMKJVSGHFCB-NWDGAFQWSA-N 320.397 -0.363 30 20 DBED C[C@H]1CN(C(=O)CN2CCC(=O)NC2=O)CC[C@H]1CNCC#N 1185446337 LUQVIRSQVLVXAK-RYUDHWBXSA-N 321.381 -0.474 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)CCc2cncn2C)C1 1187509685 VDCKDGKGWKEZRG-CYBMUJFWSA-N 317.393 -0.707 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@H]1CCN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1191858601 BOCDJFMTIDPFCK-BTFPBAQTSA-N 319.405 -0.451 30 20 DBED N#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C2[C@H]3CCCC[C@H]23)C1 1192028115 FXSVAXMOPBSRHR-WUHRBBMRSA-N 320.393 -0.776 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(Cc2ncccn2)C[C@H]1O 1192530089 JRTXVBPBZXILSA-JMSVASOKSA-N 306.366 -0.535 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)c2n[nH]cc2C)C1 1192731651 NRWSAGWRNPQMGU-QJPTWQEYSA-N 321.381 -0.816 30 20 DBED CCc1noc(CN2C[C@@H](O)[C@H](NC(=O)C#CC(C)C)C2)n1 1192761040 CWPFTDLUBXXWDS-VXGBXAGGSA-N 306.366 -0.047 30 20 DBED N#CCNC(=O)CN1CCCN(C(=O)[C@@H]2C[C@H]3CC[C@H]2O3)CC1 1195322539 ZVVCPDQLRIEOMP-MGPQQGTHSA-N 320.393 -0.272 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)C(C)(C)F)CCCO1 1199691583 ZGLGPEMJLSQPER-GFCCVEGCSA-N 313.373 -0.309 30 20 DBED C=CCOCC(=O)N1CCCO[C@H](CN[C@@H]2CCNC2=O)C1 1200108898 LMDQEDXYDFOMDZ-CHWSQXEVSA-N 311.382 -0.715 30 20 DBED C=CCOCC(=O)N1CCCO[C@H](CN[C@H]2CCNC2=O)C1 1200108908 LMDQEDXYDFOMDZ-OLZOCXBDSA-N 311.382 -0.715 30 20 DBED N#CCNC[C@@H]1CN(C(=O)CCCn2ccnn2)CCCO1 1200681340 ZRANEYOCPPJEED-CYBMUJFWSA-N 306.370 -0.211 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2cnc(C)[nH]2)[C@H](C)C1 1206551916 OCUICIMNWBNOIS-ZWNOBZJWSA-N 303.366 -0.482 30 20 DBED C=CCOCC(=O)N1CCC[C@@H](NCc2nc(=O)n(C)[nH]2)C1 1207683819 IARYLBKJFUTNAP-LLVKDONJSA-N 309.370 -0.608 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@@H](NCC(=O)NCCC)C1 1207870158 RBMVTHKGEXLFEZ-CYBMUJFWSA-N 322.409 -0.767 30 20 DBED COCC#CCN[C@@H]1CCCN(C(=O)c2cc(=O)n(C)cn2)C1 1208358403 KCAZLAUGEAQQKU-CYBMUJFWSA-N 318.377 -0.376 30 20 DBED CO[C@@H]1CN(CCCS(C)(=O)=O)C[C@H]1NC(=O)[C@@H](C)C#N 1212045250 KEEAAJZANJQOOO-QJPTWQEYSA-N 317.411 -0.604 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)c2cc[nH]c2)[C@H](OC)C1 1212307119 VGCLTXCRJWBZLU-MRVWCRGKSA-N 318.377 -0.418 30 20 DBED COCC#CCN1C[C@@H](NC(=O)Cc2cncn2C)[C@H](OC)C1 1213719342 YFSRTXRAXODBCM-HUUCEWRRSA-N 320.393 -0.572 30 20 DBED C[C@@H](N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C)C(=O)NC(N)=O 1214587470 JIFKDPHYQGFQAP-CKYFFXLPSA-N 306.366 -0.580 30 20 DBED N#CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1ccc[nH]1 1217270735 SHXHRQRUAQVKRX-QWHCGFSZSA-N 317.349 -0.820 30 20 DBED CC(C)(C)C(C)(C)C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@@H]1O 1220149543 RKJLMMBAFBIPEN-NEPJUHHUSA-N 324.425 -0.140 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)CCCOc2cccnc2)C1 1221020030 DGXVFDWSMPNDTQ-KGLIPLIRSA-N 304.350 -0.075 30 20 DBED Cc1cc(C(=O)N(C)C[C@H]2CCN2CC(=O)NCC#N)on1 1230742022 CYMLJDKLSVDBRX-LLVKDONJSA-N 305.338 -0.231 30 20 DBED Cc1cnn(CC(=O)N(C)C[C@@H]2CCN2CC(=O)NCC#N)c1 1230975474 GTVPFSUZANMCRF-ZDUSSCGKSA-N 318.381 -0.636 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)C[C@@](C)(O)C1CC1 1233778936 BIUCUMPXPZWQSU-WMLDXEAASA-N 321.421 -0.180 30 20 DBED C=CCNC(=O)CN1CC[C@H]1CN(C)C(=O)c1cncnc1 1233820350 ZEXSPBLIGVBXAS-ZDUSSCGKSA-N 303.366 -0.075 30 20 DBED O=C(NCCN/C(O)=C1/N=CC=CC1=O)NCC1(O)CCC1 1323077416 JHNWCZZZBSWRNL-QXMHVHEDSA-N 308.338 -0.273 30 20 DBED CC#CCNC(=O)C(=O)Nc1cccn(CC(=O)OCC)c1=O 1324369040 FLMWLVJIJMDYEG-UHFFFAOYSA-N 319.317 -0.511 30 20 DBED Cn1nnc(CNC(=O)C(=O)Nc2ccc(C#N)cc2F)n1 1324844356 GXPPRWHLYZFWDP-UHFFFAOYSA-N 303.257 -0.524 30 20 DBED C=CCN(C)C(=O)C(=O)Nc1cnn(CC(=O)NCCOC)c1 1326033826 UHAARNXTNYBWMG-UHFFFAOYSA-N 323.353 -0.771 30 20 DBED CN(CCN1CCOCC1)C(=O)C(=O)N[C@@H]1CC[C@H](C#N)C1 1326259811 JXDHBDYKVPLDGN-QWHCGFSZSA-N 308.382 -0.415 30 20 DBED COC[C@@](C)(O)CNC(=O)C(=O)Nc1cc(C)c(C#N)cn1 1329054773 QRHWVJNIAQDICX-AWEZNQCLSA-N 306.322 -0.286 30 20 DBED N#Cc1ncn(CCN2C(=O)N[C@@H](Cc3ccncc3)C2=O)n1 1334275998 GFFLDJBYRKPRDI-NSHDSACASA-N 311.305 -0.292 30 20 DBED C=C(C)COCCNC(=O)C(=O)N[C@H]1CC(=O)N(C(C)C)C1 1341446048 RBKKZTCSBOTQTP-LBPRGKRZSA-N 311.382 -0.179 30 20 DBED N#CCCn1ccc(NC(=O)C(=O)N2C[C@@H]3C[C@@]3(CO)C2)n1 1343252369 UURBOUIZMHRHOW-HZMBPMFUSA-N 303.322 -0.424 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N[C@@H]1C[C@@H](OCC)[C@@H]1OC 1343343780 ASCUNIAVXUKSGI-DDHJBXDOSA-N 300.355 -0.388 30 20 DBED C#CC1CCN(C(=O)C(=O)NCCS(=O)(=O)CC)CC1 1349212285 PAPGAJVNWLHUIR-UHFFFAOYSA-N 300.380 -0.591 30 20 DBED C[C@H](C(=O)N1CCc2nn(C)c(=O)cc2C1)n1cnc(C#N)n1 1362039603 DYSISGLNDOFGDN-SECBINFHSA-N 313.321 -0.611 30 20 DBED N#Cc1cn(CCC(=O)N[C@H]2CCCOCC2)c(=O)nc1O 1362287863 SPUXWZHSFNOSMC-NSHDSACASA-N 306.322 -0.104 30 20 DBED CC(=O)N1CCC(NC(=O)Cn2cc(C#N)ccc2=O)CC1 1363184445 JRAITMXYOBMELQ-UHFFFAOYSA-N 302.334 -0.153 30 20 DBED COC(=O)[C@@H](O)CCNC(=O)COc1ccc(C#N)cc1OC 1363693176 QQQNGJWXCNFBFL-NSHDSACASA-N 322.317 -0.014 30 20 DBED CN(CCS(N)(=O)=O)S(=O)(=O)c1cccc(CC#N)c1 1364040433 KQZAOXCAOMGLGM-UHFFFAOYSA-N 317.392 -0.338 30 20 DBED C[C@H](CNC(=O)c1cnc(O)n1C)NC(=O)c1c[nH]c(C#N)c1 1373017466 NWPNOUPHKXYSNY-MRVPVSSYSA-N 316.321 -0.126 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)c2cccn2C)C1 1390419073 PDNNEHQIYOULJO-XHDPSFHLSA-N 304.350 -0.122 30 20 DBED C[C@H](CNC(=O)[C@H]1CCC(=O)N1C)NC(=O)c1ccc(C#N)[nH]1 1399950939 GOZLQIUCTZRETR-BXKDBHETSA-N 317.349 -0.258 30 20 DBED C[C@@H](NC[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCO1)C(N)=O 1402610881 RPLIGUQPJQUGDW-KOLCDFICSA-N 305.338 -0.809 30 20 DBED C[C@H](C#N)C(=O)N(CCNC(=O)CCn1ccnn1)C1CC1 1408911254 BTXULPZQHWZNMH-LLVKDONJSA-N 304.354 -0.065 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CCC(NC(=O)NC)CC1 1424227597 YQNRKJFOEFYOOJ-UHFFFAOYSA-N 317.415 -0.140 30 20 DBED C[C@H](C#N)C(=O)NCC1CCN(C(=O)[C@H]2COC(=O)N2)CC1 1427596820 ZSMNATOGWLYCAO-MWLCHTKSSA-N 308.338 -0.391 30 20 DBED C[C@@H](C#N)C(=O)N1CC(CNC(=O)COC[C@@H]2CCCO2)C1 1430391249 QMCBVNRBSOPEJA-AAEUAGOBSA-N 309.366 -0.084 30 20 DBED COCc1nn(C)cc1C(=O)NC[C@H](C)NC(=O)[C@@H](C)C#N 1430621272 MPQCFQDBCAKNSS-UWVGGRQHSA-N 307.354 -0.039 30 20 DBED C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)CNC(=O)[C@H]1COCCO1 1432937547 DKRNDMCYAFYZQW-GXFFZTMASA-N 320.349 -0.216 30 20 DBED CCN(CCNC(=O)[C@@H](C)CS(C)(=O)=O)C(=O)[C@@H](C)C#N 1455599505 SDMWIAHVEIFRRR-QWRGUYRKSA-N 317.411 -0.209 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)[C@H]2CCC(=O)N2)CCCC1 1457036717 MINGMSOIMFCDJR-GHMZBOCLSA-N 306.366 -0.030 30 20 DBED C=C(Cl)CNC[C@@H](O)CNC(=O)Cn1nnnc1C(C)C 1482777329 SMIPOQLPFBCZSN-SNVBAGLBSA-N 316.793 -0.384 30 20 DBED CC(C)S(=O)(=O)CC(=O)NCC[C@@H](C)NC(=O)[C@H](C)C#N 1495544377 MMRDHMZTFXMLNM-GHMZBOCLSA-N 317.411 -0.020 30 20 DBED CC(C)N1CC[C@@H](N2CC(O)(CNC(=O)[C@H](C)C#N)C2)C1=O 1500805931 BIFOSHKANZCYLV-VXGBXAGGSA-N 308.382 -0.682 30 20 DBED CC(=O)NCC(=O)N1C[C@H]2CCN(C(=O)[C@@H](C)C#N)C[C@H]2C1 1520121916 MGHAJUDFEVZJSA-UHTWSYAYSA-N 306.366 -0.411 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)[C@@H](C)CS(C)(=O)=O)CC1 1535534586 DIJWTEUMSOLCAO-UWVGGRQHSA-N 315.395 -0.408 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H](N[C@H](C)C(=O)NC)C2)nn1 1566774890 SFUCGMOTARLLJZ-MNOVXSKESA-N 306.370 -0.597 30 20 DBED CC(C)[C@@H](C(=O)O)C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1573489586 KYKOVWATHOTODK-CWSCBRNRSA-N 314.363 -0.260 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CCN(c2cncc(-c3nn[nH]n3)n2)C1 1573578167 ZGGBIXPCKXDNPF-DTWKUNHWSA-N 313.325 -0.489 30 20 DBED C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)NC(=O)[C@@H](C)C#N 1573585657 UJERVMKMHWJGFA-YUMQZZPRSA-N 316.325 -0.411 30 20 DBED C#CCN(C(=O)C(=O)NCCCC(=O)O)C1CCN(C)CC1 1588396644 WWZWBCVPTDRPSN-UHFFFAOYSA-N 309.366 -0.477 30 20 DBED C#Cc1ccc(NC(=O)C(=O)N2CCO[C@H](C(=O)O)C2)cc1 1588439057 LKTWLXCRHYBJGI-LBPRGKRZSA-N 302.286 -0.082 30 20 DBED C[C@@H](NC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C1CN(CC#N)C1 1589943986 RNZBGRNEWLSLCO-MRVPVSSYSA-N 300.326 -0.232 30 20 DBED N#CCCCS(=O)(=O)NCc1ccnc(-c2nn[nH]n2)c1 1592676537 WQUGJUGIVJUKJS-UHFFFAOYSA-N 307.339 -0.015 30 20 DBED N#Cc1nc(N)n(Cc2cn3cccnc3n2)c1-c1nn[nH]n1 1592704317 BOXRSOLTFDWZCM-UHFFFAOYSA-N 307.281 -0.392 30 20 DBED N#CCC1(CS(=O)(=O)NCCC(=O)NCCC(=O)O)CC1 1601061984 CFXGLWYTVHXZJX-UHFFFAOYSA-N 317.367 -0.419 30 20 DBED C#CC[C@H](COC)Nc1nc(O)n(C)c(=O)c1-c1nn[nH]n1 1602697176 KTKDUCJGFWHKGP-SSDOTTSWSA-N 305.298 -0.884 30 20 DBED CN1CCN(S(=O)(=O)c2cncc(C#N)c2)C[C@H](C(=O)O)C1 1606245405 FYYHMVAYZPCBPN-LLVKDONJSA-N 324.362 -0.410 30 20 DBED N#Cc1nc(C(=O)O)ccc1N1CCC[C@]2(C1)NC(=O)NC2=O 1608223839 LISVFQOXPFAGBT-CQSZACIVSA-N 315.289 -0.170 30 20 DBED N#C[C@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NCc1cnn[nH]1 1609492830 BOOGCCTUQOCTRB-NSHDSACASA-N 323.320 -0.017 30 20 DBED CN(C)S(=O)(=O)CCC(=O)NCC1(C#N)CCOCC1 1646626033 YIRCCWSQKALSJM-UHFFFAOYSA-N 303.384 -0.296 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC[C@@H](NC(=O)c2cnns2)C1 1713058459 NZCNCESKBLOIGJ-WDEREUQCSA-N 321.406 -0.130 30 20 DBED C=CCNC(=O)[C@H](C)N1CC[C@@H](NC(=O)c2cn(C)cn2)C1 1713082061 XSNGHFFOJIZPQO-NWDGAFQWSA-N 305.382 -0.085 30 20 DBED C=CCNC(=O)NC(=O)CN[C@H]1CCN(C(=O)[C@@H](C)OC)C1 1713146075 RHRQOKMRTNMYCK-MNOVXSKESA-N 312.370 -0.776 30 20 DBED C[C@@H](CCNC(=O)c1ccc(C#N)[nH]1)NCC(=O)NCC#N 1731726451 LUFHMPZNJFTSQI-JTQLQIEISA-N 302.338 -0.376 30 20 DBED C#CCN[C@@H](C)[C@H]1CCCCN1C(=O)Cn1c(O)nnc1O 1752153949 APQICEULEAPMTR-WDEREUQCSA-N 307.354 -0.318 30 20 DBED COCC#CCN[C@H](C)CNC(=O)Cn1nnc2c1CCCC2 1752900921 IAVMATBXBGDIPI-CYBMUJFWSA-N 319.409 -0.099 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@H]1CCCN1Cc1nc(O)n[nH]1 1753106572 YOGNIECNRWLKMW-HZMBPMFUSA-N 309.370 -0.082 30 20 DBED Cc1cc(C(=O)NC[C@H]2CCN(CC(=O)NCC#N)C2)cnn1 1753124192 XUQMPAPUGHTRON-GFCCVEGCSA-N 316.365 -0.524 30 20 DBED COCC#CCN1CC[C@@H](CNC(=O)CCCCNC(N)=O)C1 1753128492 CVECRROGJLPGBJ-AWEZNQCLSA-N 324.425 -0.087 30 20 DBED C#CCNC(=O)[C@H](C)NCCN(C)C(=O)c1c(C)nn(C)c1F 1753257003 WABCXSOIUGNKKE-NSHDSACASA-N 323.372 -0.333 30 20 DBED C#CCNC(=O)CN[C@H](CC)CNC(=O)c1c(C)ncnc1O 1753482785 GKFZPVNBKZNODD-LLVKDONJSA-N 319.365 -0.662 30 20 DBED C#CCOCCC(=O)N(C)[C@@H](C)CN[C@H](C)C(=O)NC(N)=O 1753690285 VGOVIJVBDNESEA-WDEREUQCSA-N 312.370 -0.954 30 20 DBED C#CCCNC[C@H](O)CNC(=O)[C@@H]1COc2ccccc2O1 1753936096 PRYLWBUMJZTIIA-WFASDCNBSA-N 304.346 -0.084 30 20 DBED C#CCNC(=O)[C@@H](C)NC/C=C\CNC(=O)c1ccnnc1 1754174866 CVAJWOGUNYXVCY-QMAVJUDZSA-N 301.350 -0.510 30 20 DBED C=CCNC(=O)CN1CC[C@@](O)(CNC(=O)C[C@H](C)OC)C1 1754746675 XWSDNDDWUOXDTF-SWLSCSKDSA-N 313.398 -0.733 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(Cc2cc(C)on2)C1 1754767604 UAOONVDTIPSWRX-LBPRGKRZSA-N 307.350 -0.316 30 20 DBED C=CCN1CCN([C@@H]2CCN(C(=O)CCNC(N)=O)C2)CC1 1755020100 YDQDEQCWOAFMSR-CYBMUJFWSA-N 309.414 -0.551 30 20 DBED CC#CCN[C@@]1(CO)CCCN(C(=O)C[C@@H]2COC(=O)C2)C1 1755084057 FFJLRRGCSBHGEU-BBRMVZONSA-N 308.378 -0.094 30 20 DBED COCC#CCN1CC(N2CCN(C(=O)[C@@H]3CCOC3)CC2)C1 1755144968 XHFDJJFHDFPMSU-OAHLLOKOSA-N 321.421 -0.499 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)C[C@@H](C)NCCn1cncn1 1755591885 STYJPLOSBMKKAJ-CABCVRRESA-N 318.425 -0.188 30 20 DBED C=CCC[C@@H](C)N[C@@H](CO)CNC(=O)c1nnc(O)nc1O 1755640419 DGLCWTJEJOKNBF-RKDXNWHRSA-N 311.342 -0.682 30 20 DBED C#CCN1CC[C@]2(NC(=O)C[C@H](NC(C)=O)C(N)=O)CCC[C@H]12 1755702139 TVCWOJOZFXWVGR-HEHGZKQESA-N 320.393 -0.887 30 20 DBED C=CCOCCN1CC[C@]2(NC(=O)[C@@H]3CNC(=O)N3)CCC[C@@H]12 1755702665 XFQVSWWDEGJRQG-WOSRLPQWSA-N 322.409 -0.016 30 20 DBED C#CCNC(=O)CNC1CC(N(C)C(=O)c2nnn(C)c2C)C1 1755854274 XBGVZRXJFSKOHU-UHFFFAOYSA-N 318.381 -0.934 30 20 DBED C#CCCCC(=O)N(C)[C@H](C)CNC(=O)[C@@H]1CN(C)C(=O)N1 1756054204 JAEPTEIUIOERAA-NEPJUHHUSA-N 308.382 -0.223 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](C)N(C)C(=O)C(=O)NCC(F)F 1756063259 HZSOYWWDBOQSCB-JGVFFNPUSA-N 304.297 -0.510 30 20 DBED CC(C)C#CC(=O)N1C[C@@H]2C(CNC(=O)Cn3ncnn3)[C@H]2C1 1756202473 ZLDANBHGGUSBKV-CHWSQXEVSA-N 316.365 -0.847 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](C)NC(=O)CC)CCO2 1783047185 ZDWXRUSAMJPAPQ-BLLLJJGKSA-N 321.377 -0.636 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)N(C)C(C)=O)CCO2 1783048707 HBGXSKYDMXRIKD-LRDDRELGSA-N 321.377 -0.684 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)CCNC(C)C)CCO2 1783049699 MOUJCVRMVIDSED-MRXNPFEDSA-N 307.394 -0.162 30 20 DBED C[C@@H](NC=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC#N)[C@H]2C1 1786370178 KAKPJZQJZJWWDM-VOAKCMCISA-N 322.365 -0.986 30 20 DBED C[C@H](S)C(=O)N1CC2(CCCN2C(=O)[C@H]2CCC(=O)N2)C1 1842798275 SGDMLFGKXJHEQE-VHSXEESVSA-N 311.407 -0.213 30 20 DBED C#CCCC(=O)N1CC2(CCCN2C(=O)C2=NNC(=O)C2)C1 1844225175 TWHLOPFSELBQIG-UHFFFAOYSA-N 302.334 -0.521 30 20 DBED C#CCNC(=O)COC(=O)CCN1C(=O)c2ccccc2C1=O 7481024 XTZSYGWULUPTFP-UHFFFAOYSA-N 314.297 -0.035 30 20 DBED N#CCN1CCN(C(=O)CN2C(=O)c3ccccc3C2=O)CC1 73099809 ALZZFBAQIPMHMB-UHFFFAOYSA-N 312.329 -0.050 30 20 DBED C[C@H](CS(C)(=O)=O)NS(=O)(=O)c1ccc(C#N)nc1 125700538 PMMOYXQIIGVULO-MRVPVSSYSA-N 303.365 -0.335 30 20 DBED COCCNC(=O)CNS(=O)(=O)c1cccc(F)c1C#N 135422831 UOGJXHVHLONRCD-UHFFFAOYSA-N 315.326 -0.262 30 20 DBED COC(=O)[C@@H]1COCCN1S(=O)(=O)c1cccnc1C#N 234550785 HFTBDVNWYLJGBS-JTQLQIEISA-N 311.319 -0.484 30 20 DBED C#CCSCCNC(=O)N1CCN(C(C)(C)C(N)=O)CC1 267481722 CHPICUANVHOBAA-UHFFFAOYSA-N 312.439 -0.056 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)C2(OC)CCC2)CC1 273058337 WWWAXLXOFNDYBJ-UHFFFAOYSA-N 307.394 -0.161 30 20 DBED N#Cc1ccc(C[C@@H](C#N)C(=O)NCC(=O)NCCO)cc1 281524003 JHBRAZMUIVQTKG-ZDUSSCGKSA-N 300.318 -0.535 30 20 DBED C=C[C@@H](CO)NC(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1=O 290997377 KXWPEZLFCXJWSL-CMPLNLGQSA-N 307.354 -0.238 30 20 DBED CNC(=O)NCC(=O)N1CCN(c2snc(C)c2C#N)CC1 292070453 LBUWRJWDMBPCCI-UHFFFAOYSA-N 322.394 -0.099 30 20 DBED C#CCN(C)CCCNC(=O)CN(C)c1ncnc2nc[nH]c12 293951066 JYJDTEYMHLOBTQ-UHFFFAOYSA-N 315.381 -0.140 30 20 DBED C#CCNC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1 299246954 ZTIZWHXTGVRESI-UHFFFAOYSA-N 323.374 -0.466 30 20 DBED CN1CC[C@H]2OCCN(C(=O)CNc3ccc(C#N)cn3)[C@@H]2C1 329212437 ZXFUKFAABGXTEV-ZIAGYGMSSA-N 315.377 0.297 30 20 DBED O=C(C/N=C(/O)N[C@H]1CCc2c[nH]nc2C1)N1CCOCC1 329236471 OITKIGOBQUGBLS-NSHDSACASA-N 307.354 -0.371 30 20 DBED O=S(=O)(CC/N=C(/O)N1CC(CO)C1)N1CCSCC1 330070656 XGBHLFIBXYAIOJ-UHFFFAOYSA-N 323.440 -0.797 30 20 DBED C/C(O)=N/[C@@H]1CCCN(C(=O)CN2C[C@@H]3OCCN(C)[C@H]3C2)C1 330309399 UDXLRISTCVEKGS-ILXRZTDVSA-N 324.425 -0.031 30 20 DBED C=CCN1CC[C@@H](N2CCC[C@H]2CS(=O)(=O)NC)C1=O 332411006 NWMYWXRYWKMGCP-NWDGAFQWSA-N 301.412 -0.213 30 20 DBED CS(=O)(=O)CCCNS(=O)(=O)c1cncc(C#N)c1 336815787 JAJTYJSQVFTQDL-UHFFFAOYSA-N 303.365 -0.334 30 20 DBED CN1CC[C@@H]2CCN(S(=O)(=O)N3CCO[C@@H](C#N)C3)[C@@H]2C1 336945252 NCPHEKVPBIIOCZ-FRRDWIJNSA-N 314.411 -0.518 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1C[C@@H]2CC[C@H](O)[C@H]2C1 336952228 VNOGLSXHEWTDJN-AVGNSLFASA-N 317.411 -0.204 30 20 DBED C[C@H]1CN(S(=O)(=O)N2CCO[C@H](C#N)C2)C[C@@H](C)N1C 339067410 MGJNNJCRUZWNKS-GRYCIOLGSA-N 302.400 -0.520 30 20 DBED CC#CCN(C)C(=O)[C@H]1OCC(=O)N(C)[C@H]1c1cnn(C)c1 341071183 XMGKODCHJOWBJN-KBPBESRZSA-N 304.350 -0.200 30 20 DBED CC(C)[C@@H](C#N)NC(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1 343650553 GBKROWRKRQSAOS-MWLCHTKSSA-N 313.383 -0.249 30 20 DBED CC[C@H](C)[C@H](NS(C)(=O)=O)C(=O)N1CCO[C@H](C#N)C1 345312182 FPWPLNYVCOIIEE-AXFHLTTASA-N 303.384 -0.299 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@H]([C@@H](C)N)C2)C1=O 351756625 QNPWLORLHHTDFO-NXEZZACHSA-N 308.338 -0.841 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@@H](C)N(C)C[C@@H]2C)C1=O 352003804 MUYHRTBBROVGTN-MNOVXSKESA-N 322.365 -0.486 30 20 DBED C[C@@H](C(=O)NC1CC1)N1CCN(S(=O)(=O)[C@@H](C)C#N)CC1 352414327 TUAYHMUMUHICFQ-QWRGUYRKSA-N 314.411 -0.487 30 20 DBED C=CCN1CC[C@H](Nc2cnn(CC(=O)NCCO)c2)C1=O 352823055 CHOMWPIJYNWJOT-LBPRGKRZSA-N 307.354 -0.810 30 20 DBED N#Cc1ccc(NC(=O)C(=O)N2CCO[C@@H](C(N)=O)C2)cc1F 354173614 MJBJUYRAXIMMJN-LLVKDONJSA-N 320.280 -0.651 30 20 DBED CN1CCN(C(=O)CCNC(=O)N2CCO[C@@H](C#N)C2)CC1 408096265 YSDXECRFSOJTJR-LBPRGKRZSA-N 309.370 -0.916 30 20 DBED N#Cc1ccc(OCCNC(=O)C(=O)N[C@@H]2CCNC2)cc1 419459509 CXBYGKMOILKFIJ-GFCCVEGCSA-N 302.334 -0.469 30 20 DBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N(C)CCOCCO 430418926 YNDYWMCIZQCJMD-STQMWFEESA-N 314.382 -0.449 30 20 DBED COC(=O)[C@H](O)C1CCN([C@@H](C)C(=O)N(C)CCC#N)CC1 441266768 NXENEFJBLZTPIM-WCQYABFASA-N 311.382 -0.007 30 20 DBED CO[C@@H]1COC[C@@H]1NCC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 459833765 VBEDMEJNZXRBEB-SOUVJXGZSA-N 324.425 -0.318 30 20 DBED COC[C@@](C)(O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 530782911 HKXNIRMWFDKRBD-OAHLLOKOSA-N 304.350 -0.001 30 20 DBED Cc1cc(NC(=O)C(=O)N2CCN(C)C(=O)C2)n(CCC#N)n1 532562874 HZQSJGBLFNWINN-UHFFFAOYSA-N 318.337 -0.656 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N(CCO)[C@H](C)CC(=O)O 566312113 LAVQGNYFELAJQG-WDEREUQCSA-N 321.399 -0.130 30 20 DBED C=CCn1cc(CNC(=O)N2CC[C@H](NC(=O)NC)C2)nn1 571076809 OANQWNVFCWRSFA-JTQLQIEISA-N 307.358 -0.323 30 20 DBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1C[C@H](O)C1 598527913 LGHFNCJXCJTYMK-DLOVCJGASA-N 323.374 -0.135 30 20 DBED Cn1cc(N2C[C@H](C(=O)Nc3nc(C#N)c(C#N)[nH]3)CC2=O)cn1 600815824 HEFLWARNPJBLEG-MRVPVSSYSA-N 324.304 -0.122 30 20 DBED CCn1nccc1/C=C\C(=O)c1c(O)n(C)c(=O)n(C)c1=O 606442758 FVKDNXWWMJLDQC-WAYWQWQTSA-N 304.306 -0.098 30 20 DBED CC(C)(C)OC(=O)[C@@H]1CN(C(=O)Cn2cnc(C#N)n2)CCO1 610886361 BBLSJOHRVLLRTO-JTQLQIEISA-N 321.337 -0.281 30 20 DBED CC#CC[C@H](CO)NC(=O)c1ccnc2c(C(N)=O)cnn12 649184166 DSULPGUROJGASL-SECBINFHSA-N 301.306 -0.668 30 20 DBED C#CCCN1CCC(NC(=O)[C@H]2COCCN2C(C)=O)CC1 764325993 GBHCAUCNUJCQFV-OAHLLOKOSA-N 307.394 -0.162 30 20 DBED C#CCOCCC(=O)O[C@@H](C)C(=O)N[C@@H]1CCS(=O)(=O)C1 784366005 KBCJYHVJFNNJII-WDEREUQCSA-N 317.363 -0.739 30 20 DBED CC1(C)OCC(CO)(NCC(=O)N[C@@](C)(C#N)C2CC2)CO1 787997888 CQVBTJFUGXGANB-AWEZNQCLSA-N 311.382 -0.102 30 20 DBED CC(C)[C@@H](OC(=O)[C@H](C)n1cnc(C#N)n1)C(=O)NC(N)=O 798747044 BOEWSHBQBXEKKA-IONNQARKSA-N 308.298 -0.527 30 20 DBED C#C[C@H](NC(=O)C(=O)N(C)CCn1cccn1)[C@H]1CCCO1 809312496 NIYDQMQPABCWCT-QWHCGFSZSA-N 304.350 -0.362 30 20 DBED C#CC[C@H](CO)NC(=O)c1ccc(CN2C(=O)CNC2=O)cc1 820064905 OTNAPERKPXYRSP-CYBMUJFWSA-N 315.329 -0.148 30 20 DBED NC(=O)c1ccc(OCC(=O)N[C@H]2CCCN(O)C2=O)cc1 820470871 HXYNXEAPTFWGSX-NSHDSACASA-N 307.306 -0.339 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)C2(C#N)CCC2)CC1 831560611 CFORSDOZBQOBBM-UHFFFAOYSA-N 310.379 -0.708 30 20 DBED C=CCCOCC(=O)NS(=O)(=O)c1cc(C(N)=O)no1 847997768 ZDLSYDMPPKOYEN-UHFFFAOYSA-N 303.296 -0.829 30 20 DBED C#CC[C@H](CCOC)NC(=O)NCCCS(=O)(=O)NC 868940358 AYNYBIGDTDPOIX-LLVKDONJSA-N 305.400 -0.347 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N[C@H]1CCc2c[nH]nc2C1 875218480 BSZXVCIJSSLLND-OLZOCXBDSA-N 318.377 -0.072 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2C[C@@H](C)CO2)CC1 896180705 FLWMOUAHLZLKFK-KGLIPLIRSA-N 307.394 -0.305 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CCO[C@@H]2COCC[C@@H]21 907747287 DJNGLLKISMQCMY-NWDGAFQWSA-N 303.384 -0.044 30 20 DBED CN(C)CC#CCNC(=O)CSCC(=O)N1CCOCC1 913515348 TXTDLDDXEFSIIF-UHFFFAOYSA-N 313.423 -0.740 30 20 DBED C#CC[C@@H](CO)NC(=O)NC1CCN(S(=O)(=O)CC)CC1 914000398 CMOINTVQKWQJBB-LBPRGKRZSA-N 317.411 -0.516 30 20 DBED C#CCN1CCC[C@H](NC(=O)C2=C(C)OCCS2(=O)=O)C1 923570578 RMFSBYNJKRNYEE-LBPRGKRZSA-N 312.391 -0.123 30 20 DBED C#Cc1cncc(C(=O)N2CC[C@@H]2CNC(=O)c2ncn(C)n2)c1 949764572 TYATXOXDPQNMCE-CYBMUJFWSA-N 324.344 -0.164 30 20 DBED C#CCCN1CCN(C(=O)Cc2c(C)nc(O)nc2O)CC1 952383114 QSTFSEUSIBGJIE-UHFFFAOYSA-N 304.350 -0.094 30 20 DBED C#CCN1CCC(C(=O)N(C)C2CN(C(=O)COC)C2)CC1 954500676 ZGLJWOHHDHJGRK-UHFFFAOYSA-N 307.394 -0.353 30 20 DBED Cc1c(Cl)c(C(=O)NC[C@@H]2CN(CC#N)C[C@H]2O)nn1C 958438841 OMOGWKYGULRIHU-NXEZZACHSA-N 311.773 -0.072 30 20 DBED C#Cc1ccc(C(=O)N(C)[C@H]2CN(C(=O)COC)C[C@@H]2O)nc1 958905883 SWDAVTDYZJWIJD-KBPBESRZSA-N 317.345 -0.647 30 20 DBED C#Cc1ccc(C(=O)N(C)[C@H]2CN(C(=O)COC)C[C@@H]2O)cc1 958909054 GZBPQCXHEZOASU-GJZGRUSLSA-N 316.357 -0.042 30 20 DBED CC#CCN1C[C@H]2C(NC(=O)Cc3ccc(C(N)=O)nc3)[C@@H]2C1 960562059 WSHLQCIEPLUAJW-CHWSQXEVSA-N 312.373 -0.207 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC2(C1)CN(C(=O)[C@@H]1CCN(C)C1)C2 965469222 XBBWBCDHWMPPRE-QWHCGFSZSA-N 320.393 -0.462 30 20 DBED CCN(C(=O)C1CS(=O)(=O)C1)C1CN(C(=O)[C@H](C)C#N)C1 967988984 CJVFZGQYLUEFNX-SECBINFHSA-N 313.379 -0.750 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CNC(=O)N1 969776601 UVPOZHTUMCDGAH-ZNSHCXBVSA-N 305.338 -0.971 30 20 DBED N#CCN1CCO[C@]2(CCN(C(=O)C[C@@H]3COC(=O)C3)C2)C1 972341213 BOBZKSWEONWPBJ-SWLSCSKDSA-N 307.350 -0.234 30 20 DBED CN(C[C@@H]1CCN1C(=O)C#CC1CC1)C(=O)[C@@H]1COCCN1C 977583245 ASJNRTHWKCRUAE-GJZGRUSLSA-N 319.405 -0.210 30 20 DBED Cn1cc(C(=O)N[C@@H]2CCC[C@@H](NCC#N)C2)c(=O)n(C)c1=O 981360961 WXJWQOVCRXXIQW-GHMZBOCLSA-N 319.365 -0.762 30 20 DBED C=CCN[C@@H]1CCN(C(=O)CCc2nnc(O)nc2O)[C@@H]1C 986463713 PTJBSXQHGAEPFV-NXEZZACHSA-N 307.354 -0.020 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CN(C)C(=O)[C@H]2CCNC2=O)CC1 988631726 WMEGIJJPULTZHU-AAEUAGOBSA-N 320.393 -0.021 30 20 DBED O=C(N[C@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1O)c1cnns1 991306369 NLSDVASTYSFJHN-QWRGUYRKSA-N 320.374 -0.357 30 20 DBED C[C@H](C#N)C(=O)N1CC(NC(=O)[C@@H](C)N2C(=O)CCC2=O)C1 993793383 KUJMTJCMTCXPEE-RKDXNWHRSA-N 306.322 -0.989 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)[C@@H]2CCc3nncn3C2)C1 993845065 MIGWMJRVQBUKTD-VHSXEESVSA-N 302.338 -0.673 30 20 DBED C#CCCN1CCC[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)[C@H]1C 994326840 JLCQJWYYMSPHMU-TZMCWYRMSA-N 319.409 -0.117 30 20 DBED COCCn1ccc(C(=O)NC2CN(C(=O)[C@H](C)C#N)C2)n1 996858748 IPEOWGFTWIYPSN-SNVBAGLBSA-N 305.338 -0.370 30 20 DBED N#CCN[C@@H]1CN(C(=O)Cn2cnnn2)CC[C@@H]1C(F)(F)F 998220932 CGEVVGJDLKFWAC-DTWKUNHWSA-N 317.275 -0.434 30 20 DBED Cc1cc(C)n(CC(=O)NC2CN(C(=O)[C@@H](C)C#N)C2)c(=O)n1 998450076 KJCQJBFHWSSLJL-VIFPVBQESA-N 317.349 -0.653 30 20 DBED C#CCN[C@@H]1CCCN(C(=O)Cn2ncn3nccc3c2=O)C1 1000370835 SJNHFEQXLVHMLH-GFCCVEGCSA-N 314.349 -0.895 30 20 DBED C=CCn1cc(C(=O)NCC2CCN([C@@H](C)C(N)=O)CC2)nn1 1001918569 KBGBWICHYACYIP-NSHDSACASA-N 320.397 -0.220 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@@H](C)[C@@H](NC(=O)C(N)=O)C2)nc1 1005217954 PLHXHFIFMIFYFE-MFKMUULPSA-N 314.345 -0.485 30 20 DBED C#Cc1ccc(C(=O)N[C@H](C)C2CN(C(=O)C(N)=O)C2)nc1 1006533705 LBCMGOAKGKFNLO-SECBINFHSA-N 300.318 -0.875 30 20 DBED C[C@@H]1[C@H](NC(=O)C2CS(=O)(=O)C2)CCN1C(=O)C#CC1CC1 1011745428 DZABASPOUOOSNM-ZWNOBZJWSA-N 324.402 -0.450 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C(=O)c2ccc(=O)n(C)n2)CC1 1012331723 YANBEHHAWSSYAC-SNVBAGLBSA-N 303.322 -0.776 30 20 DBED C[C@@H]1[C@H](NC(=O)c2cc(C#N)c[nH]2)CCCN1C(=O)CC(N)=O 1014854610 YPFCRHZDJFFSRS-MWLCHTKSSA-N 317.349 -0.129 30 20 DBED C=CCN1CC[C@@H](N2CC[C@@H](NC(=O)c3nonc3C)C2)C1=O 1016418532 YUHSQUHKFUCWST-VXGBXAGGSA-N 319.365 -0.031 30 20 DBED CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N2[C@H]3CC[C@H]2CN(CC#N)C3)O1 1017938452 FRQUTFNDEKISPM-XDQVBPFNSA-N 320.393 -0.179 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCN(C(=O)[C@H]3CCNC3=O)C2)C1 1019365243 WXKDCUBXJQMTGH-QWRGUYRKSA-N 304.350 -0.657 30 20 DBED C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1025702137 BXVJERGRMYXPPM-OPQSFPLASA-N 306.362 -0.487 30 20 DBED N#CCN1C[C@H]2[C@H](NC(=O)[C@]34C[C@H]5C[C@@H](C(=O)N3)[C@H]4C5)[C@H]2C1 1025837768 KSVUIKXTSQBUIT-HNGHQCGLSA-N 300.362 -0.529 30 20 DBED CC#CCN1CC(NC(=O)[C@H]2COCCN2CC(F)F)C1 1030742312 MBAFDQXKMQFAGL-GFCCVEGCSA-N 301.337 -0.224 30 20 DBED CC#CCN1CCCC[C@@H](NC(=O)CN2CCC(=O)NC2=O)C1 1034474455 PBCKRVDNBQQNHD-CYBMUJFWSA-N 320.393 -0.078 30 20 DBED CC(C)N1CCO[C@@H](C(=O)NC[C@@H]2CN(CC#N)CCO2)C1 1035484328 ZPGDPOKBQYYTBO-ZIAGYGMSSA-N 310.398 -0.564 30 20 DBED C=CCn1cc(C(=O)N2CC[C@@H](NCC(N)=O)[C@@H](CC)C2)nn1 1037933438 YTLYREFMVLIJBE-NWDGAFQWSA-N 320.397 -0.220 30 20 DBED O=C(C#CC1CC1)NC[C@@]1(O)CCN(C(=O)[C@@]23COC[C@@H]2C3)C1 1039688120 AIZCLRVHZXKTMD-JQFCIGGWSA-N 318.373 -0.484 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H]1C[C@H]2CC[C@H]1N(C(=O)C(N)=O)C2 1040020292 HDWLFQBACRVMJD-UHIISALHSA-N 313.361 -0.101 30 20 DBED C=CCCOCC(=O)N1CC(O)(CNC(=O)c2cnc(C)[nH]2)C1 1042082332 HMKJOXOVWTUECQ-UHFFFAOYSA-N 322.365 -0.386 30 20 DBED C#CCCCCC(=O)NCC1(O)CN(C(=O)CC(=O)NCC)C1 1042654939 FLNJFUCLHHKAOA-UHFFFAOYSA-N 323.393 -0.604 30 20 DBED CC#CCCCC(=O)N1CC(O)(CNC(=O)CN2CCCC2)C1 1043127382 IPTGYMCSKXQEIE-UHFFFAOYSA-N 321.421 -0.035 30 20 DBED C=CC(C)(C)CC(=O)NCC1(O)CN(C(=O)[C@@H]2CCC(=O)N2)C1 1043206047 RRPJILLAKHJAOI-NSHDSACASA-N 323.393 -0.443 30 20 DBED N#Cc1cnc(N2C[C@H](O)[C@H](NC(=O)C3CCOCC3)C2)cn1 1043828281 ZYNWKVDRDSHWAP-OLZOCXBDSA-N 317.349 -0.559 30 20 DBED CCCN(C)CCC(=O)N1CC(O)(CNC(=O)[C@@H](C)C#N)C1 1045546431 MAFANLGSCIXJKA-LBPRGKRZSA-N 310.398 -0.433 30 20 DBED C=CCCN1CC[C@H](N2CCN(C(=O)[C@H]3CNC(=O)N3)CC2)C1 1046058975 WRFYDYBQHDPVLH-UONOGXRCSA-N 321.425 -0.538 30 20 DBED C#CCN1CC[C@H](N2CCN(C(=O)Cn3cncn3)CC2)C1 1046080665 AZYROXKNFSSZBN-AWEZNQCLSA-N 302.382 -0.870 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)[C@@]2(C)CCNC2=O)C1 1046644570 SWLRKRZHZDSEQX-HNNXBMFYSA-N 323.393 -0.586 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)c2cc(C3CC3)[nH]n2)C1 1047106163 WXJQZBDIFAAJGG-VIFPVBQESA-N 317.349 -0.250 30 20 DBED N#CCN1C[C@H]2C[C@@H](NC(=O)C3CC(=O)NC(=O)C3)C[C@H]1C2 1047161892 QUIPLQZSGLNSCY-MVWJERBFSA-N 304.350 -0.468 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cc(CN(C)C)on2)C1 1047439906 WQGNBSDEQPJISF-GJZGRUSLSA-N 320.393 -0.123 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2ncc[nH]2)C1 1048793728 FOHDEVIMOVFZSX-RYUDHWBXSA-N 304.350 -0.143 30 20 DBED CN(C(=O)C#CC1CC1)[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 1048821625 VCFOCNBQJDJKHK-GJZGRUSLSA-N 300.358 -0.157 30 20 DBED C=CCO[C@@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cnon2)C1 1049295932 GGSCREMWJFKSPT-DLOVCJGASA-N 324.337 -0.696 30 20 DBED C[C@@H]1[C@@H](NC(=O)c2cnnn2C)CCN1c1nccnc1C#N 1050211389 HVBNWZIFHZFGFJ-ZJUUUORDSA-N 312.337 -0.126 30 20 DBED CC#CCN1CCOC[C@H]1CNC(=O)c1ncc(OC)cn1 1051012466 CLIDXSDXVGAYOB-GFCCVEGCSA-N 304.350 -0.061 30 20 DBED CC#CCN1CCOC[C@@H]1CNC(=O)[C@H]1CCNC(=O)CC1 1051046530 PSZQYIBJSOGLGL-KGLIPLIRSA-N 307.394 -0.257 30 20 DBED CCn1cc(CNC[C@@H]2CN(C(=O)[C@@H](C)C#N)CCO2)nn1 1051495257 SQNJBWKMQMFUMC-WCQYABFASA-N 306.370 -0.225 30 20 DBED C#CCN1CCN([C@@H]2CCN(C(=O)[C@H](C)n3cncn3)C2)CC1 1052017192 FNBHYYLIVALIOR-LSDHHAIUSA-N 316.409 -0.309 30 20 DBED N#CCN1CC2(C1)CN(C(=O)c1cnn3ncccc13)CCO2 1053288124 CMSVEBPQPLOFSD-UHFFFAOYSA-N 312.333 -0.220 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)c3cnn4cc[nH]c34)CO2)C1 1053990826 JKLIVJUJMJCBQJ-JTQLQIEISA-N 300.322 -0.241 30 20 DBED Cn1cncc1CC(=O)N1CCN(c2cnc(C#N)cn2)CC1 1055860098 KWHBSRVUCVUPLI-UHFFFAOYSA-N 311.349 -0.027 30 20 DBED N#Cc1nccc(N2CCN(C(=O)c3cncnc3O)CC2)n1 1055936190 SRHLFHXHGGBNHM-UHFFFAOYSA-N 311.305 -0.194 30 20 DBED N#Cc1ccc(N2C[C@H]3C(NC(=O)[C@@H]4COC(=O)N4)[C@@H]3C2)nc1 1056193950 JAFNPHDWHHDAIX-MXWKQRLJSA-N 313.317 -0.388 30 20 DBED N#Cc1ccc(N2C[C@H]3[C@H](NC(=O)CN4CCCC4)[C@H]3C2)nn1 1056226887 YRLYSSRQUXITRT-VIKVFOODSA-N 312.377 -0.005 30 20 DBED N#Cc1cnc(N[C@@H]2CCN(C(=O)[C@H]3CCC(=O)NC3)C2)cn1 1056818040 RVNNSYWMDMPTNM-WDEREUQCSA-N 314.349 -0.113 30 20 DBED C=CCCO[C@H](C)C(=O)N(CCO)CCNC(=O)[C@H](C)OC 1057143861 DIYXHNIVXNIQGN-QWHCGFSZSA-N 316.398 -0.060 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)CCn1cncn1 1057439227 CTKYBEMKPJOGAL-UHFFFAOYSA-N 321.381 -0.591 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)CC(C)(C)O 1057460528 BQWDQMLUVILTMV-UHFFFAOYSA-N 302.371 -0.713 30 20 DBED CC(C)[C@@H](O)C(=O)N(CCO)CCNC(=O)CSCC#N 1057485606 NJHTZMGXWJWPNG-GFCCVEGCSA-N 317.411 -0.803 30 20 DBED CN1CCC(C(=O)NCCN(CCO)C(=O)C#CC2CC2)CC1 1057535193 LPNJAOAOWNVOAD-UHFFFAOYSA-N 321.421 -0.321 30 20 DBED C#CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)c1cncnc1 1057583423 POUHHVQWHNTUTJ-LBPRGKRZSA-N 320.349 -0.934 30 20 DBED CCOCCOCC(=O)N(CCO)CCNC(=O)[C@@H](C)C#N 1057867271 ADPOXHVFVNBEGY-LBPRGKRZSA-N 315.370 -0.864 30 20 DBED Cn1nnc(C(=O)N[C@H]2CCCN(c3cnc(C#N)cn3)C2)n1 1058218723 BEDLRCOUYICMCL-VIFPVBQESA-N 313.325 -0.729 30 20 DBED N#Cc1cnc(N2CC[C@@H](NC(=O)C[C@H]3COC(=O)C3)C2)cn1 1058339569 VTHFXKVMAZZPLA-GHMZBOCLSA-N 315.333 -0.004 30 20 DBED N#Cc1cnccc1N1CC[C@@H](NC(=O)[C@@H]2COC(=O)N2)C1 1058350206 FSUXSKOXBUAKPK-MNOVXSKESA-N 301.306 -0.243 30 20 DBED N#Cc1nc(=N[C@H]2CCN(C(=O)C[C@@H]3CCNC3=O)C2)cc[nH]1 1058982824 HILBQELRZSKDDP-QWRGUYRKSA-N 314.349 -0.691 30 20 DBED N#Cc1ccc(N2CCC[C@H]2CNC(=O)[C@@H]2CCC(=O)N2)nn1 1061379103 GBAFGZRDNBKCAK-RYUDHWBXSA-N 314.349 -0.288 30 20 DBED C=C[C@@](C)(O)CC(=O)NC1(CNC(=O)c2cnnn2C)CCC1 1062897189 XGYBDQYBZBAIJW-CQSZACIVSA-N 321.381 -0.089 30 20 DBED N#Cc1nccnc1NC[C@H]1CCCC[C@@H]1NC(=O)C(N)=O 1064189232 PNSWVEANNWNOEM-ZJUUUORDSA-N 302.338 -0.080 30 20 DBED Cn1nnc(C(=O)N[C@H]2[C@H]3C[C@H]2N(c2ccc(C#N)nc2)C3)n1 1064323746 ACMIIIVQCDAPGJ-AXTRIDKLSA-N 310.321 -0.516 30 20 DBED N#Cc1cnc(N2CC[C@@H]3CCN(C(=O)CC(N)=O)C[C@H]32)cn1 1064673467 POIBQYSZKXXMLA-CMPLNLGQSA-N 314.349 -0.349 30 20 DBED C=CCO[C@H](C)C(=O)NC[C@@H]1CN(C(=O)c2ncc[nH]2)CCO1 1065124493 NZWUTMAXFACGRD-VXGBXAGGSA-N 322.365 -0.042 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H]1CN(C(=O)C2(C)CC2)CCO1 1065239687 XMWUVDRZULUYNP-GFCCVEGCSA-N 321.377 -0.730 30 20 DBED Cn1cnc(C(=O)N[C@]2(C)CCN(c3cncc(C#N)n3)C2)n1 1065247582 FUMBHLQPXHJRPV-CQSZACIVSA-N 312.337 -0.124 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCO[C@H](CNC(=O)c2ncc[nH]2)C1 1065278269 HRJDIQCUHVRJFJ-NWDGAFQWSA-N 322.365 -0.042 30 20 DBED Cc1nnc(CC(=O)NC[C@@H]2CN(C(=O)[C@H](C)C#N)CCO2)o1 1065556927 LLHFBPMOWACMAF-MWLCHTKSSA-N 321.337 -0.576 30 20 DBED N#Cc1cncc(N2C[C@H](O)[C@H](CNC(=O)c3ccccn3)C2)n1 1067642547 GHNLNQUYQKMEOG-RISCZKNCSA-N 324.344 -0.030 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@@H](CNC(=O)c3ccncn3)C2)cn1 1067675407 BDXVDOIZVXKTNI-XHDPSFHLSA-N 324.344 -0.030 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CC[C@H]1CN2c1ccc2nnnn2n1 1068032877 FGGMWXLUTAKEIS-MXWKQRLJSA-N 312.337 -0.141 30 20 DBED Cc1nn[nH]c1C(=O)NCC1[C@H]2CN(c3cncc(C#N)n3)C[C@H]12 1068192737 PQEZNULGLQXISS-VXGBXAGGSA-N 324.348 -0.113 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CN(C(=O)CSCC#N)CCO2)C1 1068314866 WAIJVHXSLMJEQG-NSHDSACASA-N 322.390 -0.157 30 20 DBED CC(=O)NCC(=O)NC[C@H]1CCC2(CN(C(=O)[C@@H](C)C#N)C2)O1 1068497755 RXORSAVKPWLWDK-CMPLNLGQSA-N 322.365 -0.842 30 20 DBED C=CCOCC(=O)N[C@H]1COC2(C1)CN(C(=O)C(F)F)C2 1068764409 QACIQHMYUWRIND-SECBINFHSA-N 304.293 -0.060 30 20 DBED CCC(=O)NCC(=O)N[C@H]1COC2(C1)CN(C(=O)[C@H](C)C#N)C2 1068766595 JLWYRCZULSXYCY-GHMZBOCLSA-N 322.365 -0.842 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)CC2OCCCO2)C1 1069915339 YXVRRVCYRYKTLO-OLZOCXBDSA-N 321.381 -0.041 30 20 DBED C=CCN[C@@H]1CN(C(=O)[C@@H]2CCN(C)C2=O)C[C@@H]1n1ccnn1 1070255161 PHTQXKHZLRASLU-UPJWGTAASA-N 318.381 -0.716 30 20 DBED C#CCCN1CCNC(=O)CCN(C(=O)c2ccnn2C)CC1 1070947369 TXZFDWGONKIFFB-UHFFFAOYSA-N 317.393 -0.293 30 20 DBED C#CCCN1CC[C@]2(C1)CN(C(=O)C1(C(N)=O)CC1)C[C@H](C)O2 1071205234 ZWTNCJUEFPVKHD-BBRMVZONSA-N 319.405 -0.033 30 20 DBED C=CCCOCC(=O)N1C[C@@H](C)[C@@H](NC(=O)Cn2cnnn2)C1 1072328773 BZBZAUVOLSELTK-NEPJUHHUSA-N 322.369 -0.771 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](NC(=O)COCC)[C@@H](C)C1 1073672971 MPYQPDVFHYWKPB-QWHCGFSZSA-N 323.393 -0.484 30 20 DBED C=CCOCC(=O)N1CC[C@H](NC(=O)Cn2cnnn2)[C@H](C)C1 1073692366 MAKRBXYFLBQVFF-NEPJUHHUSA-N 322.369 -0.771 30 20 DBED C[C@H]1CN(C(=O)CC(N)=O)CC[C@@H]1NC(=O)CSCC#N 1073744757 PZUOQOQDIQMHGI-UWVGGRQHSA-N 312.395 -0.528 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)c2ccc(=O)n(CC)n2)C1 1073821194 CFSPDMZDSSMCHN-ZDUSSCGKSA-N 318.377 -0.283 30 20 DBED C=CCOCC(=O)N1CC[C@@H](NC(=O)C2(C(N)=O)CC2)[C@H](C)C1 1074180148 YJRCVSOEFIDROH-VXGBXAGGSA-N 323.393 -0.192 30 20 DBED COc1ncc(C(=O)N2CC[C@@H]3OCCN(CC#N)[C@H]3C2)cn1 1074377447 KSUIMXITVFIXNJ-STQMWFEESA-N 317.349 -0.076 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H](C)CCNC(=O)CS(C)(=O)=O 1075818156 DVFBVOQYEDEGJV-QWRGUYRKSA-N 320.411 -0.367 30 20 DBED CN1CC[C@H](C(=O)N2CC[C@H]3CN(CC#N)C[C@H]32)S1(=O)=O 1076349948 XOTOBCDAYPMQME-QJPTWQEYSA-N 312.395 -0.923 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)c2cn3c(n2)C[C@@H](OC)CC3)C1 1077217719 CNQNXGYDCMILGV-OUCADQQQSA-N 320.393 -0.195 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)c2cnc3sccn3c2=O)C1 1077335617 ZROFEXKGZXXUOG-GHMZBOCLSA-N 320.374 -0.283 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2ncoc2[C@@H]2CCCO2)C1 1077508406 YQANVIRMNZOAHX-MXWKQRLJSA-N 306.322 -0.175 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)[C@@]2(C)CCNC2=O)C1 1077666918 JIKGZFSTQUEABW-BREBYQMCSA-N 301.774 -0.574 30 20 DBED CC(=O)NC1CCC(C(=O)N[C@@H]2CN(CC#N)C[C@H]2O)CC1 1078279952 HQBADONGVVPEPF-NWINJMCUSA-N 308.382 -0.634 30 20 DBED Cc1nc(CNC[C@H]2CN(C(=O)[C@@H](C)C#N)CCCO2)n[nH]1 1078357962 FVCQCRBKSVRWAV-JQWIXIFHSA-N 306.370 -0.020 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)[C@H]1CC[C@@H](C)O1 1078656617 PPHGQZHMZSDTAQ-YNEHKIRRSA-N 323.393 -0.296 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CO)(NC(=O)c2n[nH]cc2F)CC1 1080994344 UBUPPYLAPWJVBB-SECBINFHSA-N 323.328 -0.208 30 20 DBED CCOCC(=O)NC[C@@H]1CN(C(=O)CSCC#N)C[C@H]1O 1081211808 DYRKQYBFVSMHSN-GHMZBOCLSA-N 315.395 -0.785 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)C2(CF)CC2)C[C@H]1O 1081344749 URMBLHYPVNGRLH-NWDGAFQWSA-N 314.357 -0.126 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2ccncn2)C1 1081684499 HFGLSHNMUMPNDB-YPMHNXCESA-N 320.349 -0.772 30 20 DBED CC#CCN1C[C@@H](NC(=O)[C@@H]2COCCN2CC)[C@H](OC)C1 1081873467 VROVMBLYXBWITE-QLFBSQMISA-N 309.410 -0.454 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CCCCN1C(=O)CCn1cnnn1 1082250176 MWPDGKCQYVPWTO-NEPJUHHUSA-N 319.369 -0.280 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CC(=O)N(C(C)C)C1 1083096659 QWRMXXHOUHWNOI-QLFBSQMISA-N 319.405 -0.212 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)c2cn3nc(C)cc3[nH]c2=O)C1 1083862241 WDBLUEBDVQEYOJ-NEPJUHHUSA-N 317.349 -0.708 30 20 DBED CNC(=O)Nc1ccc(C(=O)N[C@@H]2CN(CC#N)C[C@@H]2O)cc1 1084105487 HNZHEBIUUKJMMN-OLZOCXBDSA-N 317.349 -0.264 30 20 DBED C#CCN[C@@H]1CCCC[C@H]1NC(=O)c1cnc(O)n(C)c1=O 1085294648 WYSYIEKIFFYYSW-VXGBXAGGSA-N 304.350 -0.250 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CCN(Cc3nc(=O)n(C)[nH]3)C[C@H]2C1 1087911322 QZYXWMQFIYJPAJ-TUAOUCFPSA-N 318.381 -0.452 30 20 DBED CC(C)(C)C(=O)C(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1O 1090405446 LHJOMACGDXQIOX-GHMZBOCLSA-N 317.349 -0.371 30 20 DBED CC#CCN1CC[C@@H](NC(=O)Cc2ccc(O)nc2)[C@@H](O)C1 1090441045 IQDFTGCKKFLXER-KGLIPLIRSA-N 303.362 -0.096 30 20 DBED COCc1ncsc1C(=O)N[C@H]1CCN(CC#N)C[C@@H]1O 1090635026 YWXVGVHXHFCRKX-ONGXEEELSA-N 310.379 -0.022 30 20 DBED C=CCN1CC[C@@H](NC(=O)c2cnn(CCN(C)C)c2)[C@@H](O)C1 1090636039 BXKHFLZFYRIZJN-CABCVRRESA-N 321.425 -0.204 30 20 DBED CC[C@H](C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O)N(C)C 1091123322 OZRQTWRYVKGQTM-UPJWGTAASA-N 318.381 -0.646 30 20 DBED C[C@@H]1[C@@H](NC(=O)CS(C)(=O)=O)CCN1c1ccnc(C#N)n1 1091935303 CYUZBGCCCWJFBD-ZJUUUORDSA-N 323.378 -0.524 30 20 DBED N#Cc1c[nH]ccc1=NC1CC(CNC(=O)Cn2nccn2)C1 1092243450 KMAWJACVYMSXFJ-UHFFFAOYSA-N 311.349 -0.026 30 20 DBED CC(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cnc(C#N)cn1 1092796733 AHVYWNBYRPFVNI-AGIUHOORSA-N 314.349 -0.290 30 20 DBED COC[C@H](OC)C(=O)NC1[C@@H]2CN(c3ccc(C#N)nn3)C[C@@H]12 1093344834 KVNOWZNRBUXBSF-UTUOFQBUSA-N 317.349 -0.440 30 20 DBED CC(=O)N1CCO[C@H](C(=O)NCCN=c2cc[nH]cc2C#N)C1 1093798931 GTOFJRHOXMPQGF-AWEZNQCLSA-N 317.349 -0.849 30 20 DBED CCO[C@H]1C[C@H]1C(=O)NCc1cn(C2CN(CC#N)C2)nn1 1094276613 QTWITNGWOWZMJU-OLZOCXBDSA-N 304.354 -0.300 30 20 DBED CN1CCOC[C@@H]1C(=O)NCCCNc1cncc(C#N)n1 1094395950 XTZYZNCRIZZKCG-GFCCVEGCSA-N 304.354 -0.403 30 20 DBED CN1CC[C@H](C(=O)NCCCN=c2cc[nH]cc2C#N)C1=O 1094704875 HRVWEDPAYXPOSB-GFCCVEGCSA-N 301.350 -0.228 30 20 DBED Cc1cc(C(=O)N[C@H]2CC(=O)N(C3CN(CC#N)C3)C2)n[nH]1 1094711945 RJAUTMUEVXXCFF-JTQLQIEISA-N 302.338 -0.743 30 20 DBED Cn1nnc(C(=O)NCCCNc2ncc(C#N)cc2F)n1 1094725685 YVTIWZHWYJEKIE-UHFFFAOYSA-N 304.289 -0.152 30 20 DBED Cc1ccn(C)c1C(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1 1094729990 PFBQKKJPTJUEHU-LBPRGKRZSA-N 315.377 -0.128 30 20 DBED N#CCN1CC(N2C[C@@H](NC(=O)[C@H]3CCC3(F)F)CC2=O)C1 1094748951 GXQGNVITNIXHPX-GXSJLCMTSA-N 312.320 -0.043 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)c3cncn3C)CC2=O)C1 1094753893 VYQBFHMCUIDJOP-LLVKDONJSA-N 301.350 -0.932 30 20 DBED C[C@H](CC(=O)NCCCN(C)c1ccc(C#N)nn1)NC(N)=O 1095640150 FNJFIWFWQIYRAR-SNVBAGLBSA-N 319.369 -0.262 30 20 DBED COC(=O)NCC(=O)N[C@H]1C[C@H](Nc2nccnc2C#N)C1 1096990492 YVUGCPDDPKZKIQ-KYZUINATSA-N 304.310 -0.237 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCC(N(CCO)CCO)CC1 1098395955 IGMPRFKJHUGJFC-INIZCTEOSA-N 323.437 -0.638 30 20 DBED CN1CC[C@H](CC(=O)N2CCC(N(CC#N)CCO)CC2)C1=O 1098401344 QKYMVPSZJDJBIS-CYBMUJFWSA-N 322.409 -0.336 30 20 DBED C#CCCN(CCO)C1CCN(C(=O)[C@H](C)CC(N)=O)CC1 1098447430 KNXXUHSYULEYJS-CYBMUJFWSA-N 309.410 -0.194 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC[C@H](n2cc(CNCC#N)nn2)C1 1098669408 QAAKPFSUYBISDI-DZGCQCFKSA-N 318.381 -0.008 30 20 DBED CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)CN2CCNC(=O)C2)C1 1098974036 DOTQIXHJSIDEIT-YOEHRIQHSA-N 318.421 -0.588 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)c2ccn(C)c2)[C@@H](O)C1 1099762756 ATEUSOOCSPXULH-KBPBESRZSA-N 320.393 -0.508 30 20 DBED CC(C)(C)C#CC(=O)N[C@H]1CCN(CCOCCO)C[C@H]1O 1099829818 IWJREVKSRKGQRP-UONOGXRCSA-N 312.410 -0.404 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)C(C)(C)C(N)=O)[C@H](O)C1 1099887617 ICMWTPPEQOIGJQ-VXGBXAGGSA-N 313.398 -0.748 30 20 DBED CC#CCN1CC[C@H](NC(=O)CCCS(C)(=O)=O)[C@H](O)C1 1100032654 ZFQPMDBREDVXBW-QWHCGFSZSA-N 316.423 -0.614 30 20 DBED C#CCN1CC[C@H](NC(=O)CCCC(=O)NCCC)[C@H](O)C1 1100078930 QMNWIZRLBHROKJ-UONOGXRCSA-N 309.410 -0.133 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)c2coc(C)n2)C1 1100271013 YPGBQRLTJBFBJZ-UHFFFAOYSA-N 304.350 -0.170 30 20 DBED C=CCNC(=O)CNC1CC(CNC(=O)CCCC(N)=O)C1 1101069091 HHPNYWFQIQUMHO-UHFFFAOYSA-N 310.398 -0.571 30 20 DBED COC(=O)NCC(=O)N[C@@H]1CC2(CN(CC#N)C2)n2ccnc21 1101609124 UIKZSGPIJCJDIO-SNVBAGLBSA-N 318.337 -0.665 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(CCOCCO)C[C@H]1C 1101960456 CQVFHWGMZZBTFJ-HUUCEWRRSA-N 312.410 -0.281 30 20 DBED N#Cc1nc(=N[C@H](CNC(=O)C(N)=O)c2ccccc2)cc[nH]1 1102176721 UXQXEZRVWQRPRW-LLVKDONJSA-N 310.317 -0.475 30 20 DBED C[C@H](CC(N)=O)C(=O)N(C)[C@H]1CCN(c2nccnc2C#N)C1 1102751971 BPWOIFIQIBAXAN-MNOVXSKESA-N 316.365 -0.103 30 20 DBED Cc1cc(=NC[C@@H](C)N(C)C(=O)Cn2cnnn2)c(C#N)c[nH]1 1104448158 YNRPEWADVAZLOP-LLVKDONJSA-N 314.353 -0.371 30 20 DBED CC(C)[C@H](CNC(=O)CS(C)(=O)=O)N=c1cc[nH]cc1C#N 1105118690 BBEGXSMJHQPWSH-ZDUSSCGKSA-N 324.406 -0.028 30 20 DBED CC#CCNCc1cn(C2CN(C(=O)[C@H]3CCCO3)C2)nn1 1105147556 ZPOUDOCTOQTCIH-CQSZACIVSA-N 303.366 -0.047 30 20 DBED CC#CCNCc1cn(C2CN(C(=O)[C@H]3COCCO3)C2)nn1 1105165599 SCZCKBDKJADRGD-CQSZACIVSA-N 319.365 -0.810 30 20 DBED CC(C)C#CC(=O)N1CC(n2cc(CNCCCO)nn2)C1 1105233275 QVDDFRKAZJVEQW-UHFFFAOYSA-N 305.382 -0.207 30 20 DBED C[C@H](CC(=O)N(C)CCN(C)c1cncc(C#N)n1)NC(N)=O 1105473373 WKEGYMYSLIZMPP-SNVBAGLBSA-N 319.369 -0.310 30 20 DBED Cc1ccc(C#N)c(NC[C@H](O)CNC(=O)[C@H](C)NC(N)=O)n1 1105809398 BSJXPOOBPRVEKC-ONGXEEELSA-N 320.353 -0.793 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)c2cocn2)C[C@H]1C 1105936498 CMVYPKGUTVKLHI-VXGBXAGGSA-N 304.350 -0.278 30 20 DBED C#CCOCCC(=O)NC[C@@H](O)CNc1nc(C)cc(C#N)n1 1105970704 LWYYBVNIAJAEEP-CYBMUJFWSA-N 317.349 -0.414 30 20 DBED Cn1cncc1C(=O)NC[C@H](O)CNc1ncccc1C#N 1106011264 MMPZQRSWOPRKSC-LLVKDONJSA-N 300.322 -0.110 30 20 DBED COCC1(C(=O)NC[C@H](O)CNc2ccc(C#N)nn2)CC1 1106023194 OKCZKSXDEMEFAF-LLVKDONJSA-N 305.338 -0.336 30 20 DBED N#Cc1c(F)cccc1NC[C@@H](O)CNC(=O)[C@H]1CNC(=O)N1 1106088290 CQXBPLAGAGEFSU-PRHODGIISA-N 321.312 -0.732 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](O)CN=c1cc[nH]cc1C#N 1106125105 LFYJVIPMRCNKOY-NFAWXSAZSA-N 316.361 -0.145 30 20 DBED C[C@H](C(=O)NCc1cn(C2CN(CC#N)C2)nn1)n1cccn1 1107127061 VEOUMNIBBLWDKZ-LLVKDONJSA-N 314.353 -0.268 30 20 DBED C=CCCC(=O)NCc1cn(C2CN(C[C@H](O)COC)C2)nn1 1107142516 HSFFMLTXYINPQJ-AWEZNQCLSA-N 323.397 -0.276 30 20 DBED C#CCO[C@H](C)C(=O)NCc1cn(C2CN(CCF)C2)nn1 1107169731 QGTGPWBGGQXOBQ-LLVKDONJSA-N 309.345 -0.241 30 20 DBED CN1C[C@H](C(=O)NC/C=C/CN=c2cc[nH]c(C#N)n2)CC1=O 1107568637 LMTQTWJDRZLOIM-KXMPLOMGSA-N 314.349 -0.667 30 20 DBED CC#CCN1CCO[C@@](C)(CNC(=O)C[C@@H](C)NC(N)=O)C1 1107942624 UMGTWUGLFBSTNZ-DOMZBBRYSA-N 310.398 -0.336 30 20 DBED Cc1cc(CC(=O)N[C@H](C)CN=c2cc[nH]c(C#N)n2)n(C)n1 1108009096 GAODZPPDYJDTSN-LLVKDONJSA-N 313.365 -0.029 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)[C@@H]2CCc3nncn3C2)C1 1108416837 XZVIWGUNLQRYKG-CJNGLKHVSA-N 317.393 -0.319 30 20 DBED C=CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCCS(N)(=O)=O 1109657629 YAWOKXCDRUGPCM-WOPDTQHZSA-N 301.412 -0.037 30 20 DBED C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1nc(=O)n(C)[nH]1 1110391303 GLGBKNIHYFEXAZ-UTUOFQBUSA-N 321.381 -0.468 30 20 DBED C[C@@H]1C[C@@H](Nc2cncc(C#N)n2)CCN1C(=O)CNC(N)=O 1110507712 PRUMZKHQZGBMHK-ZJUUUORDSA-N 317.353 -0.192 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN(C)S(=O)(=O)CC 1111210043 VAZDLPUQSMDYHP-UPJWGTAASA-N 313.423 -0.377 30 20 DBED N#Cc1ccc(N2CCC[C@@](CO)(NC(=O)CC(N)=O)C2)nc1 1111346902 ZZIWAWYGXNMQPR-OAHLLOKOSA-N 317.349 -0.724 30 20 DBED CN(C)S(=O)(=O)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC#N 1111444632 NDTYVNXCYKLJRY-UTUOFQBUSA-N 314.411 -0.487 30 20 DBED Cc1cc(N2CCOC[C@H]2CNC(=O)C(N)=O)c(C#N)cn1 1111715047 BMJUBQXEGGFPRK-LLVKDONJSA-N 303.322 -0.932 30 20 DBED COCC#CCN1CCN(C(=O)c2cc(OC)n(C)n2)CC1 1113085930 OEILHWIMVUYEDW-UHFFFAOYSA-N 306.366 -0.164 30 20 DBED C[C@@H](N=c1cc[nH]c(C#N)n1)[C@@H](C)NC(=O)CCn1cnnn1 1113124465 NOPKPKNUPLKDDR-NXEZZACHSA-N 315.341 -0.848 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)c2cc(C3CC3)no2)CC1 1113393914 ZYFWKDNPNYUYKJ-UHFFFAOYSA-N 317.349 -0.050 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CC[C@H](C)C2)CC1 1113514478 PZFRUMXPMOOTKZ-ZDUSSCGKSA-N 322.409 -0.699 30 20 DBED CO[C@H](C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21)C(C)C 1114779939 CISOXVWZEWAADT-UNJBNNCHSA-N 308.382 -0.656 30 20 DBED CNC(=O)CC(=O)N1CCC(N(C)c2cncc(C#N)n2)CC1 1115137184 PMRVHBUSPBVELO-UHFFFAOYSA-N 316.365 -0.088 30 20 DBED CCC(=O)NCC(=O)NC[C@H](CO)Nc1ccc(C#N)c(C)n1 1121239905 FKFBRBCEWRTDMD-GFCCVEGCSA-N 319.365 -0.323 30 20 DBED N#Cc1c[nH]ccc1=N[C@H](CO)CNC(=O)C[C@H]1COC(=O)C1 1121303296 NFDGMWZQSPSTSQ-PWSUYJOCSA-N 318.333 -0.783 30 20 DBED C[C@](O)(CC(=O)NC[C@H](CO)Nc1ccc(C#N)nn1)C1CC1 1121338700 AZZKKMXXYNCMBI-DOMZBBRYSA-N 319.365 -0.212 30 20 DBED CC[C@@H](C(=O)NC[C@@H](CO)Nc1cnc(C#N)cn1)N(C)C 1121812104 KBKYYXBXOOQHLD-RYUDHWBXSA-N 306.370 -0.423 30 20 DBED Cc1nc[nH]c1CC(=O)NC[C@H](CO)Nc1nccnc1C#N 1121853557 CUGHVELWWZWIJW-SNVBAGLBSA-N 315.337 -0.489 30 20 DBED C#CCCNC1CC2(C1)CC(NC(=O)Cn1c(O)nnc1O)C2 1122117906 GHPVDQDIOBFNEJ-UHFFFAOYSA-N 319.365 -0.270 30 20 DBED C[C@@H](CC(N)=O)C(=O)NC[C@H](CO)Nc1ccc(C#N)nc1 1122354887 KCQZBRGHSTXWHM-JOYOIKCWSA-N 305.338 -0.646 30 20 DBED C=CCCO[C@H](C)C(=O)NCCN[C@@H](C)C(=O)NC(N)=O 1124495910 SUPPOSXMDCYNGB-VHSXEESVSA-N 300.359 -0.743 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)[C@@H]1C[C@H]1C(=O)OC 1124662702 NPUSHCYCPKRJGR-VXGBXAGGSA-N 324.381 -0.737 30 20 DBED C[C@@H](NCCNC(=O)C#CC1CC1)C(=O)NC[C@H]1CCCO1 1126886525 VRUKISSUUUSPHY-TZMCWYRMSA-N 307.394 -0.211 30 20 DBED CCCCOCC(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1 1128851382 KKMOAGDCFODEGD-OLZOCXBDSA-N 306.370 -0.040 30 20 DBED COC[C@H](C)CC(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1 1129359644 KURGOFUOUDAFPW-UPJWGTAASA-N 306.370 -0.184 30 20 DBED CC#CCN[C@@H]1CN(C(=O)[C@@H](C)COC)C[C@@H]1n1ccnn1 1129677644 JTNHTJSUOZFQLA-MJBXVCDLSA-N 305.382 -0.075 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@H](n2ccnn2)[C@H](NCCF)C1 1129829884 ONOZGJVLNKPLKW-UPJWGTAASA-N 309.345 -0.373 30 20 DBED C#CCCN1C[C@H]2C[C@@H]3CN(C(=O)CC(=O)NC)C[C@@]3(C1)O2 1131224547 QWCBFCFFIVJWRW-XJKCOSOUSA-N 305.378 -0.553 30 20 DBED C[C@@H](C[C@@H](C)NCC(=O)NCC#N)NC(=O)C1(N(C)C)CCC1 1134583465 KTQSGQGTCXKPKO-OLZOCXBDSA-N 323.441 -0.017 30 20 DBED C=CCC[C@H](C)NCCNC(=O)Cn1ncn2nccc2c1=O 1134674093 VEGMVEWWICFRPL-LBPRGKRZSA-N 318.381 -0.049 30 20 DBED C=C(Br)CNCCNC(=O)CCn1cnnn1 1135684805 YQYHKPHEOIQVQJ-UHFFFAOYSA-N 303.164 -0.322 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)[C@@H]1CCO[C@@H]1C)C2 1148488025 JFEZTARFQHHIJI-ZIAGYGMSSA-N 319.405 -0.305 30 20 DBED C#CCCN1CCCO[C@@H](CNC(=O)CN2CCOCC2)C1 1149579263 BSDBBSHTBQKQQG-HNNXBMFYSA-N 309.410 -0.451 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)[C@@H](C)n2cncn2)C1=O 1156798949 HIUBKNXTIPTEHC-CHWSQXEVSA-N 320.397 -0.278 30 20 DBED CC(=O)N[C@@H](CC(=O)N1CCCC[C@@H]1CN(C)CC#N)C(N)=O 1158553928 DCLYRVWPWBRKTA-OLZOCXBDSA-N 323.397 -0.797 30 20 DBED C#CCN1CC=C(CCNC(=O)CN2C(=O)CNC2=O)CC1 1161839436 SKXHEOYOCBTKSU-UHFFFAOYSA-N 304.350 -0.690 30 20 DBED C=CCCn1cc(C(=O)NCCCN[C@@H]2CCCNC2=O)nn1 1167992251 UUQWWPHJRGJUCO-GFCCVEGCSA-N 320.397 -0.158 30 20 DBED N#CCNCC1(CCNC(=O)[C@H]2CCS(=O)(=O)N2)CC1 1168192595 WYFCJXXPJWNFQK-SNVBAGLBSA-N 300.384 -0.922 30 20 DBED C#CCCNCCCNC(=O)CNS(=O)(=O)CCCC 1174722417 NVYYUWDDEYQYTG-UHFFFAOYSA-N 303.428 -0.175 30 20 DBED N#CCNC(=O)CNCCCNC(=O)COCc1ccccc1 1175823185 HOJSJRGLMUJQEC-UHFFFAOYSA-N 318.377 -0.061 30 20 DBED CC(C)CC(=O)N1CC[C@H]2OCCN(CC(=O)NCC#N)[C@H]2C1 1176886865 GDFZYXJOWRGRHD-UONOGXRCSA-N 322.409 -0.026 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)c2cnn(C)c2)[C@H]1C 1178097053 RVIKURWCOFDRAX-AAEUAGOBSA-N 305.382 -0.085 30 20 DBED Cc1ccnc(C(=O)N2CC[C@H](NCC(=O)NCC#N)[C@@H]2C)n1 1178577263 VGGJWIQXPUSUDZ-RYUDHWBXSA-N 316.365 -0.383 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2[C@H]3COC[C@H]32)[C@H]1C 1179392033 DPNPJGSEKNKAME-DKBOKBLXSA-N 307.394 -0.240 30 20 DBED O=C(C#CC1CC1)N1CC[C@@H](NC[C@H](O)Cn2cccn2)C1 1182415341 ZLHATBWNNHIGKP-CABCVRRESA-N 302.378 -0.152 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CCN(C)[C@@H]2C)C1 1182676161 CKBXXWORCYJXOY-MGPQQGTHSA-N 308.426 -0.181 30 20 DBED COCC#CCNC[C@@H]1CCN(C(=O)CNC(N)=O)C[C@H]1C 1183822020 HMATYZFTIFKMCI-OLZOCXBDSA-N 310.398 -0.621 30 20 DBED CC#CCN[C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1 1185632794 FUWKCKGBTZZMKX-HZSPNIEDSA-N 307.394 -0.164 30 20 DBED C#CCNC[C@@H]1CN(C(=O)c2cn(C)nn2)CC12CCOCC2 1186367641 BEFQCPIXUPEFEY-CYBMUJFWSA-N 317.393 -0.093 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H]2CCN(C(=O)COCC)[C@@H]2C1 1186733476 KKZTWVHCXSULAV-MELADBBJSA-N 307.394 -0.307 30 20 DBED C#CCC1(C(=O)N[C@@H]2CN(CC(=O)NC3CC3)C[C@H]2O)CCC1 1193684836 DLSMCBIWZSDIIE-ZIAGYGMSSA-N 319.405 -0.380 30 20 DBED C#CCC1(C(=O)N[C@@H]2CN(Cc3cnon3)C[C@H]2O)CCC1 1193691060 MYPRWROOBUZTRH-CHWSQXEVSA-N 304.350 -0.076 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)CCc2ccnc(C)n2)C1 1194961746 PZCSFZJYDGEQPN-HUUCEWRRSA-N 302.378 -0.098 30 20 DBED CNC(=O)NC(=O)[C@@H](C)N1CCCN(C(=O)[C@H](C)C#N)CC1 1195322345 YKTMDYBJHROCTA-GHMZBOCLSA-N 309.370 -0.476 30 20 DBED C#CCCCC(=O)N1CCCN([C@@H](C)C(=O)NC(N)=O)CC1 1195645244 LVLTZUUDPXFTBY-LBPRGKRZSA-N 308.382 -0.092 30 20 DBED COCC#CCN1CCCN(C(=O)CCS(C)(=O)=O)CC1 1196310040 LUZLCYHAOQNXRB-UHFFFAOYSA-N 316.423 -0.395 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CN(C)C[C@@H]2C)CC1 1197158674 UBRLEEJHLYHKTA-GJZGRUSLSA-N 320.437 -0.532 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)[C@H]2CCN(C)C2)CC1 1198097815 INUHYZJCXOCOIU-AWEZNQCLSA-N 308.426 -0.225 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC(NCCS(C)(=O)=O)CC1 1200532454 RDTBQOVMGWWISS-GFCCVEGCSA-N 316.423 -0.350 30 20 DBED C#CCNC[C@@H]1CN(C(=O)[C@@H]2COCCN2CC)CCCO1 1200859183 LEMNGHIZMCVAPE-CABCVRRESA-N 309.410 -0.453 30 20 DBED C=CCO[C@H](C)C(=O)N1CCC(NCc2nnnn2C)CC1 1204028883 QNXDZGYJZJQWKI-LLVKDONJSA-N 308.386 -0.118 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)c2nonc2C)CC1 1204092798 RPNMLJUULPCSHS-UHFFFAOYSA-N 307.354 -0.126 30 20 DBED CCS(=O)(=O)NCC(=O)N1C[C@H]2CC[C@H]1[C@@H](NCC#N)C2 1204408995 SJHCPYGANLOHDH-SRVKXCTJSA-N 314.411 -0.582 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCC(CNCC(=O)NCC#N)CC1 1205118851 FARCASPYRKVVJH-INIZCTEOSA-N 322.409 -0.219 30 20 DBED N#CCNC(=O)CNCC1CCN(C(=O)c2n[nH]cc2F)CC1 1206193140 NPZISZRMZICFFP-UHFFFAOYSA-N 322.344 -0.370 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)c2ncccn2)CC1 1206658758 NHJVLAZKNQXRSA-UHFFFAOYSA-N 315.377 -0.332 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)CCn2cncn2)C1 1207328686 KOKXVYQGDAKWSY-CYBMUJFWSA-N 320.397 -0.449 30 20 DBED COCC#CCN1C[C@@H](NC(=O)C[C@H]2CCNC2=O)[C@H](C)C1 1207531842 SMLAYFQTOMOXIO-MGPQQGTHSA-N 307.394 -0.401 30 20 DBED C=C(C)CN1C[C@@H](NC(=O)[C@@H](C)NS(C)(=O)=O)[C@H](C)C1 1208913636 PARGGFBBIWOJQB-IJLUTSLNSA-N 303.428 -0.063 30 20 DBED C=CCCCN1C[C@@H](NC(=O)CN2C(=O)CNC2=O)[C@H](C)C1 1210858752 XDJJSOQIGQXAEE-VXGBXAGGSA-N 308.382 -0.059 30 20 DBED CCn1ncc(C(=O)N[C@@H]2CN(CC#CCOC)C[C@H]2OC)n1 1212214767 XHOPEIZSJMIXEN-ZIAGYGMSSA-N 321.381 -0.623 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[nH]2)C[C@H]1OC 1213268228 GZAQFTOCWKANHY-GHMZBOCLSA-N 323.397 -0.364 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1C[C@@H](NCC(=O)NCC)[C@H](C)C1 1214880683 QDWVRENCNFLCFE-KFWWJZLASA-N 320.437 -0.343 30 20 DBED C=CCCO[C@H](C)C(=O)N[C@@H]1CN(Cc2ncnn2C)C[C@@H]1O 1219324238 KHNDZTZNQMXCLD-UPJWGTAASA-N 323.397 -0.542 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CN(Cc2cc3n(n2)CCC3)C[C@@H]1O 1219381577 WNSANMHEFVIXGS-GDLCADMTSA-N 303.366 -0.350 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2cc(C)c(C)o2)C1 1219457751 GKDMPPSDCNQSJW-OLZOCXBDSA-N 321.377 -0.026 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2cn(C)nc2C)C[C@@H]1O 1219605443 RXWPPOAJCHLJON-YUELXQCFSA-N 320.393 -0.572 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)C2CCN(C)CC2)C1 1220269434 ZPMQJQMDKGYSHO-CABCVRRESA-N 311.426 -0.308 30 20 DBED C=C[C@](C)(CC)C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@@H]1O 1220292451 YDRUWZNDPUPABQ-TYNCELHUSA-N 308.382 -0.610 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)C(C)(C)NC(=O)NC)C1 1221075574 IGTSFUWYFYMKHG-ZJUUUORDSA-N 318.805 -0.392 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](NC(=O)CCc2cn(C)nn2)C1 1221189862 OICXOPHUGZVOJH-KGLIPLIRSA-N 307.398 -0.125 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@@H]2CN(C(=O)c3cc[nH]n3)[C@@H]2C1 1221289769 ZIMUKBLMEKWGIS-YRGRVCCFSA-N 315.377 -0.306 30 20 DBED N#CCN[C@H]1CCCN(C(=O)CCNC(=O)[C@H]2CCCO2)C1 1222122410 IGCLQXMSMZZTAS-QWHCGFSZSA-N 308.382 -0.224 30 20 DBED C=CCN1CCS(=O)(=O)[C@H](CCNC(=O)c2cnon2)C1 1230512404 PHZGBALHQZTHJZ-SNVBAGLBSA-N 314.367 -0.526 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@H]1CN(C)C(=O)c1cncnc1 1233836845 KLESTCVPMBOHDO-JSGCOSHPSA-N 315.377 -0.239 30 20 DBED CN(C[C@@H](O)CNC(=O)[C@@H]1CCCCN1C)C(=O)C#CC1CC1 1281253244 PCMKMXQZNYBSFA-GJZGRUSLSA-N 321.421 -0.180 30 20 DBED N#CCN1CCC(NC(=O)CCN2CCCS2(=O)=O)CC1 1318343247 UCYBPOCNGPDBFZ-UHFFFAOYSA-N 314.411 -0.484 30 20 DBED CCN(C)C(=O)[C@H](C)NC(=O)C(=O)Nc1cnn(CC#N)c1 1320685921 TZEGKYINSFTGEI-VIFPVBQESA-N 306.326 -0.672 30 20 DBED CN(C[C@@H]1CCC[C@@H]1O)C(=O)C(=O)NC1CCN(CC#N)CC1 1322621528 IPUOVPRFIHCGJW-JSGCOSHPSA-N 322.409 -0.290 30 20 DBED C#CCOCCNC(=O)C(=O)NC1CCC(C(=O)OC)CC1 1322622516 OHYGIGHFTQOWEB-UHFFFAOYSA-N 310.350 -0.400 30 20 DBED C#CCNC(=O)C1CCN(C(=O)C(=O)N[C@H](CC)COC)CC1 1323028919 BSXRLDYUOHWAQA-CYBMUJFWSA-N 323.393 -0.484 30 20 DBED C#CCSCCNC(=O)C(=O)NCCC(=O)N[C@@H](C)CC 1323457163 VXTPSYPHFGMBQP-NSHDSACASA-N 313.423 -0.110 30 20 DBED C=CCN(C)C(=O)C(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 1324345429 OVGRHXANKBGTTD-SNVBAGLBSA-N 303.384 -0.972 30 20 DBED N#C[C@]1(F)CCN(C(=O)C(=O)NCC2(N3CCOCC3)CC2)C1 1324518114 HDGYQKHKCYMHLR-CQSZACIVSA-N 324.356 -0.568 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@@H]1CC[C@H](C#N)C1 1325941200 YCXMXQXKVJJRSH-WDEREUQCSA-N 313.379 -0.488 30 20 DBED C#CC1CCN(C(=O)C(=O)N(CCO)C2CCOCC2)CC1 1327039084 LEUYXGZWJJRZJW-UHFFFAOYSA-N 308.378 -0.142 30 20 DBED N#CC[C@H]1CCCN(C(=O)C(=O)NCC2(CC(N)=O)CC2)C1 1328200897 ZXTDGPRWXUYGPB-LLVKDONJSA-N 306.366 -0.090 30 20 DBED CCc1cc(NC(=O)C(=O)N2CC[C@](O)(CC#N)C2)n(C)n1 1328219032 BCBDAUBHEGCNDH-CQSZACIVSA-N 305.338 -0.202 30 20 DBED C[C@]1(CO)CCCN1C(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1329721748 BWSQYPDTCSLGHS-XJKSGUPXSA-N 320.393 -0.441 30 20 DBED N#CCCC[C@H](N)C(=O)NCCCN1CCCS1(=O)=O 1330576512 BEUIJBIDMNDECU-NSHDSACASA-N 302.400 -0.451 30 20 DBED C[C@H]1CN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)CCCO1 1331945263 FKMGZUDIRNQUIE-GXTWGEPZSA-N 320.393 -0.177 30 20 DBED CN(CC1=CCSC1)C(=O)C(=O)N1CC[C@](O)(CC#N)C1 1333456083 MVGKCMOOEHYJDR-CQSZACIVSA-N 309.391 -0.005 30 20 DBED COCC#CC(=O)NCC1(NC(=O)C#CCOC)CCOCC1 1334031395 GNVJHGJXLNYJHB-UHFFFAOYSA-N 322.361 -0.932 30 20 DBED C#Cc1ccc(NC(=O)C(=O)N2CCO[C@@H](C(=O)NC)C2)cc1 1337193684 STTLCWLIVDIMFY-CYBMUJFWSA-N 315.329 -0.420 30 20 DBED C=CCn1c(N2CCN(C(=O)NC)CC2)nnc1C1(O)CC1 1340342481 OYJNBJSICIFWMW-UHFFFAOYSA-N 306.370 -0.093 30 20 DBED CC(C)N1CC[C@@H](NC(=O)C(=O)NCC2(CC#N)CC2)C1=O 1342138340 JWSWAMVWAJKZMG-LLVKDONJSA-N 306.366 -0.078 30 20 DBED CC#CCCNC(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1 1345206712 ZKXUGHJEJMRKFL-AWEZNQCLSA-N 308.426 -0.484 30 20 DBED C[C@H](O)[C@H]1CCCN(C(=O)Cn2cc(C#N)c(O)nc2=O)C1 1362644506 IOBPAENATQVYGR-UWVGGRQHSA-N 306.322 -0.560 30 20 DBED COCCN(Cc1cccnc1)c1[nH]c(=O)n(C)c(=O)c1C#N 1364558561 JBVFXJKRTIJYQM-UHFFFAOYSA-N 315.333 -0.007 30 20 DBED Cn1c(CC#N)nnc1SCC(=O)NCC(=O)N1CCCC1 1364612587 CEODKRHFCHLKLF-UHFFFAOYSA-N 322.394 -0.288 30 20 DBED Cc1c(C#N)c(=O)n(C[C@@H]2CCCS(=O)(=O)C2)c(=O)n1C 1364615800 XPBGIVIJZUFUNT-JTQLQIEISA-N 311.363 -0.448 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N1CC[C@@H](C(=O)N(C)C)C1 1365418786 OLPMVPQTZVLVMC-WDEREUQCSA-N 302.400 -0.267 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CCN(C(=O)c2cnc(O)n2C)C1 1373168731 KHNSAMAAOBIUCW-VHSXEESVSA-N 305.338 -0.136 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@@H]1CCCN(C(=O)Cc2nc[nH]n2)C1 1387356462 KGIYYDDBVMSNCG-WDEREUQCSA-N 304.354 -0.044 30 20 DBED CN1CC[C@H](C(=O)NC[C@H](O)CNC(=O)c2cc(C#N)c[nH]2)C1 1389087929 STBRKZFHJHVQHV-RYUDHWBXSA-N 319.365 -0.955 30 20 DBED C[C@H](CNC(=O)c1c[nH]c(C#N)c1)NC(=O)[C@H]1CCC(=O)N1C 1389254326 VPMDAVHGMHTYES-BXKDBHETSA-N 317.349 -0.258 30 20 DBED CN(C)C(=O)Cn1c(C2CC2)nnc1N1CCO[C@H](C#N)C1 1391011738 YEWRVTKUFYEVAS-LLVKDONJSA-N 304.354 -0.028 30 20 DBED COC[C@@H](O)CN1CCN(CCN(C)C(=O)[C@H](C)C#N)CC1 1391331505 GSLAJSIPTYAXFU-KGLIPLIRSA-N 312.414 -0.771 30 20 DBED CCN(CCNC(=O)[C@@H](C)C#N)C(=O)CCS(=O)(=O)NC 1398132393 FFDTXNSUXYZPJE-JTQLQIEISA-N 318.399 -0.950 30 20 DBED N#Cc1ccc(C(=O)NC[C@H](O)CNC(=O)C[C@H]2CCOC2)[nH]1 1399810889 UHENCIDPAGGUCX-ZYHUDNBSSA-N 320.349 -0.480 30 20 DBED C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)CS(C)(=O)=O 1400145362 QTZQRYUOVMPCFT-QMMMGPOBSA-N 312.351 -0.835 30 20 DBED C[C@H](C#N)C(=O)N[C@@H](CNC(=O)CCn1cncn1)C1CC1 1407589004 LDQSWBQABICQCH-PWSUYJOCSA-N 304.354 -0.161 30 20 DBED C=C(Cl)CNCC1(O)CCN(C(=O)[C@@H]2COC(=O)N2)CC1 1408148474 VYBUUZOYWDAVLK-JTQLQIEISA-N 317.773 -0.210 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N1CC[C@H](C(=O)N(C)C)C1 1414284203 WXBHBFICKQFOPO-MNOVXSKESA-N 302.400 -0.125 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)C2CCOCC2)C1 1417437162 XIUBRERSURCRKW-NHYWBVRUSA-N 309.366 -0.348 30 20 DBED C[C@@]1(C(=O)NCCn2cc(C#N)c(O)nc2=O)CCCOC1 1470360919 LMKRLZFVMMNINY-CQSZACIVSA-N 306.322 -0.247 30 20 DBED C[C@@H](C#N)C(=O)NCC1CCN(C(=O)Cn2cncn2)CC1 1523292034 WNDLXIPKUGQXKL-NSHDSACASA-N 304.354 -0.207 30 20 DBED COc1ccccc1CC(=O)NC[C@H](O)CNC(=O)[C@@H](C)C#N 1533320176 JKRAYMCOOJWAOM-AAEUAGOBSA-N 319.361 -0.009 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)c2cccc(O)n2)C1 1567871323 MBNVDJOOBKQRKJ-NSHDSACASA-N 302.334 -0.659 30 20 DBED C#C[C@H]1COCCN1C(=O)c1ccnc(N2CCNCC2)c1 1574504184 CXSFFZNYXSWRRL-AWEZNQCLSA-N 300.362 -0.035 30 20 DBED N#Cc1nc(N[C@@H]2CCCC[C@H]2C(N)=O)cnc1-c1nn[nH]n1 1581880215 CVRKWHBQDDDJEN-HTQZYQBOSA-N 313.325 -0.016 30 20 DBED C#CC[C@H](NC(=O)c1ccc(-c2nn[nH]n2)cn1)C(=O)OC 1588333674 BCEIELFECLUBAL-JTQLQIEISA-N 300.278 -0.444 30 20 DBED C=C[C@H](CO)NS(=O)(=O)c1cccc(F)c1-c1nn[nH]n1 1588730821 PDXYWBUTUUPISI-SSDOTTSWSA-N 313.314 -0.169 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC2(CC(=O)O)CC2)C1=O 1588832645 UJQSNFIRPJMJFG-UHFFFAOYSA-N 309.278 -0.913 30 20 DBED C=C[C@@H]1OCC[C@H]1NC(=O)N1C[C@H](C(=O)O)[C@@H](C(=O)OC)C1 1588917796 ADEGPWKMYPAVJQ-MMWGEVLESA-N 312.322 -0.155 30 20 DBED COCC#CCN1CCN(CCNC(=O)[C@@H]2C[C@@H]2C(=O)O)CC1 1599139103 TWAVRNCKKRRFKG-KGLIPLIRSA-N 323.393 -0.909 30 20 DBED COCCN1CC[C@H](Nc2cnc(-c3nn[nH]n3)c(C#N)n2)C1 1605105129 SYVUBQQBMRWVPU-VIFPVBQESA-N 315.341 -0.339 30 20 DBED CN([C@@]1(C#N)CCOC1)S(=O)(=O)c1cnn(CC(=O)O)c1 1606071709 ARBGJJGQFNCINR-LLVKDONJSA-N 314.323 -0.729 30 20 DBED N#Cc1cccc([C@H](C(=O)O)N2CCN(S(N)(=O)=O)CC2)c1 1608215899 TYKGBWCILCYMAA-GFCCVEGCSA-N 324.362 -0.495 30 20 DBED O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@H]1C[C@@H](C(=O)O)C1 1609031422 DKSATXPTSPJAPL-LJCOBDHYSA-N 307.306 -0.260 30 20 DBED CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)N1CC[C@@](O)(CC#N)C1 1647246609 OLIPLDHHFOUTEK-ABAIWWIYSA-N 324.381 -0.730 30 20 DBED N#Cc1ncn(CC(=O)NCCc2cn3c(n2)SCC3)n1 1649766173 IGTVSRBBDAXFHM-UHFFFAOYSA-N 303.351 -0.189 30 20 DBED Cn1cc(Cl)c(C(=O)N[C@H]2C[C@@H](NCC(=O)NCC#N)C2)n1 1752730073 BFESUGSZWDYRQP-DTORHVGOSA-N 324.772 -0.436 30 20 DBED Cc1c[nH]nc1C(=O)NCC[C@H]1CCN(CC(=O)NCC#N)C1 1753327177 BCWSXJKMHRKYEQ-LBPRGKRZSA-N 318.381 -0.200 30 20 DBED COCC#CCN1CC[C@@H](N(C)C(=O)[C@H]2CCCC(=O)N2)C1 1753440363 XLSSQIQBGARLHK-ZIAGYGMSSA-N 307.394 -0.162 30 20 DBED COCC#CCNC[C@@H](C)N(C)C(=O)C[C@@H]1CC(=O)NC1=O 1753731218 NOVARVKACFXHQQ-NEPJUHHUSA-N 309.366 -0.875 30 20 DBED C=CCNC(=O)CNC[C@H]1[C@H](C)CCCN1C(=O)c1cnn[nH]1 1753807529 NUYHZXGVBHPXOZ-YPMHNXCESA-N 320.397 -0.063 30 20 DBED C[C@H](CN(C)CC(=O)NCC#N)NC(=O)C12CCN(CC1)C2 1754331311 RDUGHWCZAYQAKA-GFCCVEGCSA-N 307.398 -0.842 30 20 DBED COCC#CCNC[C@H](NC(=O)c1ccc(O)nn1)C1CC1 1754435796 MXRPTUAIDWJHPZ-ZDUSSCGKSA-N 304.350 -0.070 30 20 DBED CC#CCN[C@H]1CCN(C(=O)Cn2ncn(C)c2=O)C[C@H]1CC 1754464792 MMDHHUPOVHSGRW-KGLIPLIRSA-N 319.409 -0.178 30 20 DBED CC(=O)N1CC[C@](C)(C(=O)NC[C@H]2COCCN2CC#N)C1 1754972732 NYYXAPJXVLOVKA-ZFWWWQNUSA-N 308.382 -0.415 30 20 DBED CC(C)=CC(=O)N1CCO[C@@H]([C@H](C)NCC(=O)NCC#N)C1 1755437474 DKEKHMNCONXHSO-QWHCGFSZSA-N 308.382 -0.202 30 20 DBED C#CCN[C@H](C)[C@H]1CN(C(=O)c2nc(C)c(C)[nH]c2=O)CCO1 1755445102 PTHUEFIUGHRIQN-CHWSQXEVSA-N 318.377 -0.161 30 20 DBED C[C@@H]1[C@@H](NC(=O)Cn2cccn2)CCCN1CC(=O)NCC#N 1755713624 BAMHPRDAZLUQCU-OLZOCXBDSA-N 318.381 -0.508 30 20 DBED CC(C)C#CC(=O)NCC1[C@H]2CN(C(=O)c3cnn(C)n3)C[C@H]12 1756199455 WYTKVWIYWZMAMI-CHWSQXEVSA-N 315.377 -0.091 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1756250135 HDRSOIOEUZHROS-GXYBRJDSSA-N 320.389 -0.072 30 20 DBED C#CCO[C@H](C)C(=O)NCC1=CCN(C(=O)CNC(C)=O)CC1 1756770115 YKQDRJBOUJCBTA-GFCCVEGCSA-N 321.377 -0.564 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(C(=O)c2[nH]ccc2C)C[C@@H]1O 1757173876 LKYMOQQWAZRCTA-UPJWGTAASA-N 319.361 -0.337 30 20 DBED COCC(=O)NCCC(=O)O[C@@H](C(N)=O)c1ccc(C#N)cc1 1771605522 HMQTVGNMOVYZCJ-CQSZACIVSA-N 319.317 -0.219 30 20 DBED CN(C)CCCN(CCC#N)C(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 1771791379 QKDCHKPZSAGSAP-MGPQQGTHSA-N 311.382 -0.907 30 20 DBED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)n[nH]3)C[C@@H]21 1790790517 FZZMCISAQIDSNC-NHCYSSNCSA-N 318.333 -0.658 30 20 DBED CC[C@H](NC)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC(=O)O 1801988937 RZKSMFWXERWIIE-RNJOBUHISA-N 321.377 -0.289 30 20 DBED O=C(C/N=C/c1ccco1)N1CC2(CCCN2C(=O)C(O)O)C1 1841235614 JQAKSLIUAJEUES-FRKPEAEDSA-N 321.333 -0.787 30 20 DBED C#CCCC(=O)N1CCCC12CN(C(=O)CN1CCNC1=N)C2 1846995755 KCANJYUCVBFKKC-UHFFFAOYSA-N 317.393 -0.557 30 20 DBED CCC[C@@H]1CN(CC(=O)NCC#N)CCN1CC(=O)NCC#N 125411708 KVALOFBMXNMXET-CYBMUJFWSA-N 320.397 -0.948 30 20 DBED CC(C)/N=C(\NCC(=O)N(C)C)N[C@@H]1CCc2ncnn2C1 185515433 QRVWVPNIKWLIGD-LLVKDONJSA-N 307.402 -0.375 30 20 DBED N#Cc1ccc(CN2CC[C@@H](NC(=O)NCCO)C2=O)cc1 192207566 IXHPCKMNYYZIFA-CYBMUJFWSA-N 302.334 -0.049 30 20 DBED Cn1cc(S(=O)(=O)Nc2ccccc2C#N)c(=O)n(C)c1=O 192888835 VLZBSUUNRMVCKZ-UHFFFAOYSA-N 320.330 -0.244 30 20 DBED C/N=C(/NC[C@H]1COCCO1)N1CCC(CC(=O)NC)CC1 261760284 MWFHTUQUAVXCCW-ZDUSSCGKSA-N 312.414 -0.175 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H]([C@@H](C)N)C2)C1=O 262568110 FLGQLEHGQFBKDR-GHMZBOCLSA-N 322.365 -0.451 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(c2ncccc2C(N)=O)CC1 263790521 HOXNGRYJJBFMKX-LBPRGKRZSA-N 315.377 -0.560 30 20 DBED N#C[C@H]1CN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CCO1 264465668 HLLDBNVVDVEYBN-JTQLQIEISA-N 312.307 -0.029 30 20 DBED C#CCN1CCC(C(=O)N2CCC[C@H](O)[C@H]2C(=O)OC)CC1 275514779 IOYSUDUPXUEQGJ-KBPBESRZSA-N 308.378 -0.144 30 20 DBED C=CCCOCCNC(=O)C(=O)N(C)CCS(C)(=O)=O 289483581 XNKYEFVCBYPSDM-UHFFFAOYSA-N 306.384 -0.802 30 20 DBED C=C[C@@H](CO)NC(=O)NCc1cccc(S(=O)(=O)NC)c1 292208678 CRCZUFGPQPWWJN-NSHDSACASA-N 313.379 -0.059 30 20 DBED O=S1(=O)CCN(CC/N=C(/O)c2cnn3ccncc23)CC1 329252254 VIRAJCSQQCRVQK-UHFFFAOYSA-N 323.378 -0.236 30 20 DBED Cc1cc(C(=O)N[C@H](C)C#N)nc2c1c(=O)n(C)c(=O)n2C 332728542 UVNNJJNCAFSTNO-MRVPVSSYSA-N 301.306 -0.418 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N1CCC[C@@H](OCCO)C1 337082403 ZPEFXRRYZVIWQP-VXGBXAGGSA-N 305.400 -0.204 30 20 DBED COC(=O)[C@@H]1CN(S(=O)(=O)N(C)[C@H](C)CC#N)CCO1 337871904 RQMUZZZZEZZUGN-ZJUUUORDSA-N 305.356 -0.661 30 20 DBED CN1CC[C@@](O)(CNC(=O)C(=O)Nc2sccc2C#N)C1 340191649 KWIMXZPGYDCQFC-CYBMUJFWSA-N 308.363 -0.259 30 20 DBED CC(C)[C@H](C(=O)NCC(=O)NCC#N)N1C[C@@H](C)O[C@H](C)C1 344176469 HGFGTPVQEUINKY-YRGRVCCFSA-N 310.398 -0.124 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CCOC[C@@H]1CC(=O)OC 344960045 UVCAVIJPSZWSRR-NSHDSACASA-N 319.383 -0.269 30 20 DBED C=CCNC(=O)CNC(=O)CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O 345652079 CIJPCWIVYTYQTP-GHMZBOCLSA-N 305.334 -0.644 30 20 DBED C=C[C@@H](C)NS(=O)(=O)CCCS(=O)(=O)Nc1nc[nH]n1 349588257 FPEIVQMVOXOVBV-MRVPVSSYSA-N 323.400 -0.570 30 20 DBED C=C(C)CN(CC)C(=O)CS(=O)(=O)Cc1nnnn1C 356928778 FEFXSWFUKKLDDC-UHFFFAOYSA-N 301.372 -0.451 30 20 DBED CCOC(=O)c1c[nH]nc1S(=O)(=O)Nc1n[nH]cc1C#N 358509399 DRDWXNHWQOXLEU-UHFFFAOYSA-N 310.295 -0.018 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)c2cc(OC)no2)CC1 359155596 JLLHEKJRPPFLNG-UHFFFAOYSA-N 308.338 -0.257 30 20 DBED C=C[C@H](C)NC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 362598882 GWTISCYVZOBPGJ-AXFHLTTASA-N 300.380 -0.287 30 20 DBED N#C[C@@H]1N(C(=O)CN2CC(=O)NC2=O)CCC[C@@]12CCCCO2 377280327 ZNKVPZSZNSOGKI-NHYWBVRUSA-N 320.349 -0.008 30 20 DBED COc1ccnc(CNS(=O)(=O)N2CCO[C@@H](C#N)C2)n1 425184384 OTIKPBXJOYMBMI-VIFPVBQESA-N 313.339 -0.956 30 20 DBED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N(C)CCC(=O)NC 430369108 IEXMSZFNHFCEOL-DGCLKSJQSA-N 311.382 -0.322 30 20 DBED CC(C)[C@@H](CO)NC(=O)C(=O)Nc1nn(C(C)C)cc1C#N 436841075 UNHHVHCKSYQBNY-LLVKDONJSA-N 307.354 0.407 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)c2ncoc2C)CC1 490670089 KNPSKNNNHPUVPL-UHFFFAOYSA-N 304.350 -0.120 30 20 DBED C#CCN1CCN(C(=O)CN2CCC[C@@H](CC(N)=O)C2)CC1 490781117 WMMRQIFNZOOPHD-AWEZNQCLSA-N 306.410 -0.649 30 20 DBED C#C[C@@H](CC)NC(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 491229097 DUXHKCHTHCADNK-WDEREUQCSA-N 315.395 -0.609 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CCC(=O)[C@@H](C)C2)CC1 491711368 WEYJNPHESQRQIV-KBPBESRZSA-N 319.405 -0.115 30 20 DBED Cc1nn(C)c(N2CCN([C@@H]3CCN(C)C3=O)CC2)c1C#N 530413467 KSDNRMIFSJYLEP-CYBMUJFWSA-N 302.382 -0.047 30 20 DBED CCOC(=O)Cn1cnc(NC(=O)N2CC[C@@](F)(C#N)C2)n1 591870979 SHHQMIBDZDKSRG-GFCCVEGCSA-N 310.289 0.311 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)NCCNC(=O)c2cc[nH]n2)C1 592008320 XMKNKTHJWXDNBZ-CYBMUJFWSA-N 306.326 -0.800 30 20 DBED COCc1nccc(NC(=O)NCCn2cnc(C#N)n2)n1 597082331 LPFXGAHIKKKTJC-UHFFFAOYSA-N 302.298 -0.092 30 20 DBED CN1CCN(C[C@H](O)COc2ccccc2C#N)[C@H](CO)C1 602905433 NZGLIEYTVAGHJJ-GJZGRUSLSA-N 305.378 -0.094 30 20 DBED C=C[C@@H](O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC(N)=O 612349225 BCBFYXXUHATGQN-QWHCGFSZSA-N 319.361 -0.748 30 20 DBED CC#CCNC(=O)C1(C(=O)NCC#CC)C[C@H]1S(C)(=O)=O 632196365 WZNHRYMMSVGCFS-LLVKDONJSA-N 310.375 -0.931 30 20 DBED C=CCn1cc(C(=O)N(C)C[C@@H](O)CN2CCOCC2)nn1 648815457 RVHFSOPWSJAMRN-GFCCVEGCSA-N 309.370 -0.771 30 20 DBED COCC(=O)N[C@H](C(=O)OCCn1ncc(C#N)c1N)C(C)C 741437389 WPIJXRYJZKRFSM-LBPRGKRZSA-N 323.353 -0.333 30 20 DBED C#CCOCCC(=O)OCCNS(=O)(=O)c1cnn(C)c1 756303995 BULXIZLNNIPFLZ-UHFFFAOYSA-N 315.351 -0.719 30 20 DBED C=CCNC(=O)[C@H](C)OC(=O)c1coc(S(N)(=O)=O)c1 757759724 FJQOQHZGDPWKEJ-ZETCQYMHSA-N 302.308 -0.226 30 20 DBED Cn1cnn(CC(=O)OCC(=O)c2ccc(C#N)cc2)c1=O 781266578 KZVDEXMJRYTBCZ-UHFFFAOYSA-N 300.274 -0.120 30 20 DBED C#CCN1CCN(C(=O)CN2CCN(CCO)C(C)(C)C2)CC1 781962098 IKLQXMHRTJEHLK-UHFFFAOYSA-N 322.453 -0.848 30 20 DBED C=CCS(=O)(=O)CCNC(=O)NCCNC(=O)C(C)C 782999259 HUJZRLRGLJJFFP-UHFFFAOYSA-N 305.400 -0.341 30 20 DBED C#CCC[C@@H](O)CNC(=O)c1cnc2nc(O)nc(O)c2c1 799070826 UVVKICCAWPKEFM-SECBINFHSA-N 302.290 -0.060 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N2CCCC3(C2)OCCO3)CCO1 800083205 FGNDNWXFKGNSAX-LLVKDONJSA-N 317.367 -0.706 30 20 DBED COc1cc(C#N)ccc1C(=O)N1CC(NS(C)(=O)=O)C1 827225532 IDRFFXCLEXDUJC-UHFFFAOYSA-N 309.347 -0.060 30 20 DBED C#CC[C@@H](NC(=O)CCn1cnc2c(N)ncnc21)C(=O)OC 854910535 BNQYGQRZEQRFIR-SECBINFHSA-N 316.321 -0.520 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)Nc1cncnc1OC 862192036 JOZHQICMKKFMBA-JTQLQIEISA-N 306.322 -0.032 30 20 DBED CC(C)(C)OC(=O)N1CCN(CC(=O)NCC#CCO)CC1 868090322 GLZHWBGYXGRFLH-UHFFFAOYSA-N 311.382 -0.349 30 20 DBED C#CCN1CCC[C@H](NC(=O)N2CCN3CCOC[C@H]3C2)C1 890366813 FFXLBFFAYPWGBG-LSDHHAIUSA-N 306.410 -0.190 30 20 DBED C=CCNC(=O)CNC(=O)CN1CCC[C@H](C(=O)OCC)C1 901346191 ZWYJBKCGWZEJHS-LBPRGKRZSA-N 311.382 -0.320 30 20 DBED N#Cc1sccc1C(=O)NCC(=O)NCCN1CCOCC1 906649989 JLNVSGNJCGZZGF-UHFFFAOYSA-N 322.390 -0.202 30 20 DBED C[C@@H](C(=O)N[C@@H]1CCN(C(=O)C#CC2CC2)C1)n1cncn1 940082537 MQUNBCLRVJLLDF-WCQYABFASA-N 301.350 -0.030 30 20 DBED C=CCN1CC[C@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)[C@@H](C)C1 943305592 OWHIEMBCVLKLPZ-QWRGUYRKSA-N 322.365 -0.580 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)COC)C[C@H]2OC)nc1 944066323 UVCZPHZVHCCILH-ZIAGYGMSSA-N 317.345 -0.335 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](NC(=O)[C@@H]2CNC(=O)N2)[C@H](OC)C1 946485321 HPRCWTDNWGSKAA-HBNTYKKESA-N 324.381 -0.778 30 20 DBED CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H]1CCN1C(=O)C#CC1CC1 952156984 WDBIESQZIJHBOV-MELADBBJSA-N 317.389 -0.159 30 20 DBED C=CCN1C[C@H](O)[C@H](CNC(=O)c2cnn3c2OCCC3)C1 958220277 WEOTWCSTDZHIDH-YPMHNXCESA-N 306.366 -0.126 30 20 DBED COCc1ncsc1C(=O)NC[C@@H]1CN(CC#N)C[C@@H]1O 958471413 JVRVPJWEBXSRFL-KOLCDFICSA-N 310.379 -0.164 30 20 DBED C=CCN1C[C@@H]2C(NC(=O)Cn3ncn4nccc4c3=O)[C@H]2C1 961909884 DEUQJHCYHGXOTJ-QWRGUYRKSA-N 314.349 -0.877 30 20 DBED N#CCN1C[C@H]2C(NC(=O)c3cn(C[C@H]4CCOC4)nn3)[C@@H]2C1 962176880 PWBLAVCAACJWRG-IJLUTSLNSA-N 316.365 -0.502 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CCCN(C(=O)C(N)=O)CC2)nc1 965050724 WYQARQPOOLJCNV-GFCCVEGCSA-N 314.345 -0.341 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H](NC(=O)c2nnn(C)n2)CC1 965093778 DVGKCMYUTKUHOW-ZJUUUORDSA-N 305.342 -0.519 30 20 DBED C[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1NC(=O)c1cnn[nH]1 966316598 JIJSUUYEZBWOAO-UFBFGSQYSA-N 313.321 -0.105 30 20 DBED C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)Cn2ncn(C)c2=O)C1 967034119 RSYBKBBBHVKZNI-STQMWFEESA-N 307.398 -0.016 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)C(C)(C)C(N)=O 969211418 YDJLPWIWMUEAFF-MXWKQRLJSA-N 306.366 -0.141 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ncc[nH]2)C[C@@H]1O 970702660 VSLZBQNNNVVFDG-WYUUTHIRSA-N 320.349 -0.698 30 20 DBED CC#CCN1C[C@H]2CC[C@H]1CN2C(=O)Cn1c(O)nnc1O 972058497 MDKBUMGYPIQGSV-WDEREUQCSA-N 305.338 -0.612 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)c3cc[n+]([O-])cc3)C2)C1 972242183 KBSWGZUINRFZPV-INIZCTEOSA-N 301.346 -0.130 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)[C@]3(C)CCC(=O)NC3)C2)C1 972511983 MZIRRNAHVPRBFH-SJORKVTESA-N 319.405 -0.161 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2cnn(C)n2)C1 973453764 LQNYKNYMPXYTBM-UZWSLXQKSA-N 319.365 -0.217 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]1CN(C)C(=O)c1cn(C)c(O)n1 978316847 INZMAINKNYOWNC-UWVGGRQHSA-N 305.338 -0.042 30 20 DBED N#CCN1C[C@@H]2C(CNC(=O)[C@H]3CCc4nn[nH]c4C3)[C@H]2C1 978942291 RRLFZUYVSBTXKA-MVWJERBFSA-N 300.366 -0.273 30 20 DBED C#Cc1ccc(C(=O)NCC2[C@@H]3CN([C@@H]4CCNC4=O)C[C@@H]23)cn1 979020274 QKRBRVHYTOMPMW-HRCADAONSA-N 324.384 -0.141 30 20 DBED C=CCCN1CCCN(C(=O)Cn2ccc(=O)n(C)c2=O)CC1 981283621 ZCRINBIFNVHRTD-UHFFFAOYSA-N 320.393 -0.343 30 20 DBED CN(C[C@@H]1CCN(C(=O)C(N)=O)C1)C(=O)c1c[nH]c(C#N)c1 988278503 DOVZNUIPLSBDRB-VIFPVBQESA-N 303.322 -0.708 30 20 DBED Cn1ccc(CC(=O)NC2CN(C(=O)c3ccc(C#N)[nH]3)C2)n1 991315603 JLXQMGWWAVFCBZ-UHFFFAOYSA-N 312.333 -0.197 30 20 DBED Cn1c(O)ncc(C(=O)N[C@]23CCC[C@@H]2N(CC#N)CC3)c1=O 992101184 VQZGCXQOKLPVLE-NHYWBVRUSA-N 317.349 -0.264 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)Cn3ncnn3)C[C@]2(C)C1 992944470 RPYWOCQNKIHVAF-COPLHBTASA-N 317.353 -0.860 30 20 DBED CN1C[C@H](C(=O)NC2CN(C(=O)C#CC3CC3)C2)CCC1=O 993897131 WLEMOEATHACFJJ-GFCCVEGCSA-N 303.362 -0.405 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C 994084943 UOLUJRDUFAWBDY-LPWJVIDDSA-N 323.393 -0.336 30 20 DBED C=CCn1cccc1C(=O)NC1CN(C(=O)Cn2cnnn2)C1 994195319 VAGRZRWFXHIPBT-UHFFFAOYSA-N 315.337 -0.699 30 20 DBED C=C(C)CN[C@@H]1CCCN(C(=O)Cn2cnc(C(N)=O)n2)C1 999199992 JWWPTOGBCXQYKU-LLVKDONJSA-N 306.370 -0.466 30 20 DBED C=CCn1cc(C(=O)N(C)C2CC(N[C@@H](CC)C(N)=O)C2)nn1 999523567 PJJBPVYSOVHVMT-MCIGGMRASA-N 320.397 -0.079 30 20 DBED C=C(Cl)CN1CCC[C@@H](NC(=O)CN2C(=O)CNC2=O)C1 1009464127 XCMOFWOWKRNTCV-SNVBAGLBSA-N 314.773 -0.129 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCCN(C(=O)Cn3cncn3)C2)C1 1010836166 KXLCZHDCIRTFQP-LBPRGKRZSA-N 316.365 -0.111 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@]3(NC(=O)C(N)=O)CCC[C@@H]23)c1 1014444517 JLIPXDVUJJFWHY-IAQYHMDHSA-N 315.333 -0.375 30 20 DBED C#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCc2nnnn2CC1 1017974665 CCAYRQFBVYVHRX-MCIONIFRSA-N 314.393 -0.066 30 20 DBED C#CCCN1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@H]1CC(=O)NC1=O 1018347537 UFANWHMIZWJWDS-UPJWGTAASA-N 303.362 -0.262 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H](NCc3cnnn3C)C2)nn1 1019483554 VKDPRHNGUBGVRZ-NSHDSACASA-N 316.369 -0.403 30 20 DBED C=CCCn1cc(C(=O)N[C@@H]2CN(C(=O)C3CC3)C[C@H]2O)nn1 1023919700 XJCIFDOONMOXHQ-DGCLKSJQSA-N 319.365 -0.434 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(Cl)no2)C1 1025403853 YYJZZRBRXLHLIG-XLPZGREQSA-N 312.713 -0.211 30 20 DBED C=CCN(C)[C@@H]1CCCN(C(=O)Cn2nc(C)n(C)c2=O)C1 1027666795 KBPHEGJKGHIQOS-CYBMUJFWSA-N 307.398 -0.001 30 20 DBED C=CCN1[C@H]2CC[C@H]1CN(C(=O)CN1CCC(=O)NC1=O)C2 1029544192 VXQZBUSGWKQILE-RYUDHWBXSA-N 306.366 -0.211 30 20 DBED C#CCCN1CC(NC(=O)c2c3n(c(=O)n2C)CCCC3)C1 1030957033 SERHCZXHEIXWGL-UHFFFAOYSA-N 302.378 -0.040 30 20 DBED C=CCCn1cc(C(=O)NC[C@H]2CN(CC#N)CCO2)nn1 1035536917 ZZEHEVDFENBAQX-LBPRGKRZSA-N 304.354 -0.192 30 20 DBED C=CCN1CC[C@@H](NCC[C@H]2CCCCN2C(=O)C(N)=O)C1=O 1036330656 SOXYEWOOGWXOSI-CHWSQXEVSA-N 322.409 -0.381 30 20 DBED C#CCN[C@@H]1CCN(C(=O)c2nnc(O)nc2O)C[C@@H]1CC 1037887699 FXBJXTVMUWXXMF-VHSXEESVSA-N 305.338 -0.254 30 20 DBED C=CCN[C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)C[C@H]1CC 1037939631 HMLIWOBTSMXPCD-VXGBXAGGSA-N 308.382 -0.059 30 20 DBED O=C(C#CC1CC1)NC[C@@]1(O)CCN(C(=O)[C@H]2CCCOC2)C1 1039676777 AKBCGTMVYVCHDN-YOEHRIQHSA-N 320.389 -0.094 30 20 DBED C#CCN1CCC[C@]2(CCN(C(=O)Cn3cnnc3O)C2)C1 1040171264 UVMUZVAITTUPPA-HNNXBMFYSA-N 303.366 -0.069 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)c2conc2C)C1 1042047179 LEPDAZMWILTTDV-UHFFFAOYSA-N 309.322 -0.511 30 20 DBED C=C(C)C[C@@H](C)C(=O)N1CC(O)(CNC(=O)[C@H]2CCC(=O)N2)C1 1042073957 HWZHLBJAMVBIBO-VXGBXAGGSA-N 323.393 -0.443 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(O)(CNC(=O)c2cc[nH]c2C)C1 1042424921 LDMPOZRQQVBJOM-OAHLLOKOSA-N 321.377 -0.047 30 20 DBED CO[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1NC(=O)[C@@H]1CCCO1 1042749349 WNLXUVDINRGVDH-FRRDWIJNSA-N 317.349 -0.153 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)C(C)(C)NC(C)=O)C1 1042802209 GFIDTGNTPXPRCL-UHFFFAOYSA-N 323.393 -0.606 30 20 DBED Cn1cc(C(=O)N2CC(O)(CNC(=O)C#CC3CC3)C2)cn1 1042959239 VHJHIGRRCRXUHH-UHFFFAOYSA-N 302.334 -0.863 30 20 DBED COc1nc(C(=O)N2CC(O)(CNC(=O)C#CC3CC3)C2)co1 1042964812 NAQNZRSXNFTLQC-UHFFFAOYSA-N 319.317 -0.600 30 20 DBED C=CCCCC(=O)N1CC(O)(CNC(=O)Cc2n[nH]c(C)n2)C1 1042970857 ZKZUGCMEHPKDOX-UHFFFAOYSA-N 321.381 -0.299 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)c2coc(C)c2)C1 1043032546 DGPHGJVSZZBPDT-UHFFFAOYSA-N 320.345 -0.069 30 20 DBED C#CCCCCC(=O)N1CC(O)(CNC(=O)[C@@]23COC[C@@H]2C3)C1 1043361314 DZLQUNKPQVWKHV-GUYCJALGSA-N 320.389 -0.094 30 20 DBED C=C[C@H](CC)CC(=O)N1CC(O)(CNC(=O)c2cnn[nH]2)C1 1043816720 QEHURZXBMHFFDS-SNVBAGLBSA-N 307.354 -0.290 30 20 DBED C=CCN1CC[C@@H](N2CC(N(C)C(=O)Cc3nc[nH]n3)C2)C1=O 1044163057 KZRKOKXPFWJNBR-GFCCVEGCSA-N 318.381 -0.723 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)[C@H]2C[C@H](C)CO2)C1 1044557801 PVYNZLPEFPHTAQ-QWHCGFSZSA-N 308.378 -0.096 30 20 DBED CC#CCCCC(=O)NCC1(O)CN(C(=O)[C@H]2CCCN2C)C1 1044994099 JREIETIDFVGOTN-CQSZACIVSA-N 321.421 -0.036 30 20 DBED C#CCCN1C[C@H]2C[C@H](NC(=O)c3nnc(O)nc3O)C[C@H]1C2 1047103883 HVOBJUFZDQVXJD-GARJFASQSA-N 317.349 -0.111 30 20 DBED C=CCN1CC[C@H](N2CC[C@H]3[C@H]2CCCN3C(=O)C(N)=O)C1=O 1049683038 LAPROVYLINKMCK-AGIUHOORSA-N 320.393 -0.676 30 20 DBED CC#CCN1CCOC[C@@H]1CNC(=O)c1cc(OC)ncn1 1050922103 YOENZPQDAYJGCM-LBPRGKRZSA-N 304.350 -0.061 30 20 DBED C#CCN1CCC(C(=O)NC[C@H]2COCCN2C[C@H](C)O)CC1 1051256644 XUNWCYWRWLEZTQ-HOCLYGCPSA-N 323.437 -0.471 30 20 DBED C=CCN1CCN([C@@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)C2)CC1 1052074180 VZGYWXVXWFXBFC-OLZOCXBDSA-N 307.398 -0.928 30 20 DBED N#CCN1CCN([C@H]2CCN(C(=O)C[C@@H]3CCC(=O)N3)C2)CC1 1052097001 RYPOAXVRXZMUDM-KBPBESRZSA-N 319.409 -0.603 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)c1ccc(=O)n(C)c1)CCO2 1053327752 ZKBAJPSEXLCTAA-UHFFFAOYSA-N 315.373 -0.065 30 20 DBED C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H](CNC(=O)C(N)=O)C2)c1 1053393580 CSCPZCIESHQDJA-ZWNOBZJWSA-N 314.345 -0.628 30 20 DBED CN1CC[C@@H](C(=O)N[C@H]2COC3(C2)CN(CC#N)C3)CC1=O 1053849787 UQMNLPRSJKPPHY-VXGBXAGGSA-N 306.366 -0.662 30 20 DBED C[C@H]1CN(C(=O)C2CC3(C2)CS(=O)(=O)C3)C[C@H]1NCC#N 1054798251 RSMRXIVHRXDBDZ-CMPLNLGQSA-N 311.407 -0.229 30 20 DBED C[C@H](CC(N)=O)C(=O)N1C[C@H]2CN(C(=O)C#CC3CC3)C[C@H]2C1 1055332524 YYHYGEPBAJKZCI-BNOWGMLFSA-N 317.389 -0.172 30 20 DBED N#Cc1cnc(N2CCN(C(=O)c3nccnc3N)CC2)cn1 1055753644 YGKKFIJNYFSIQL-UHFFFAOYSA-N 310.321 -0.317 30 20 DBED C[C@@]1(C(=O)N2CCN(c3nccnc3C#N)CC2)CNC(=O)C1 1055962278 GPIMFVXVTZPNQS-HNNXBMFYSA-N 314.349 -0.477 30 20 DBED Cn1c(C(=O)N2CCN(c3cnc(C#N)cn3)CC2)cnc1O 1055973901 KRJINKKBQBKZFH-UHFFFAOYSA-N 313.321 -0.250 30 20 DBED N#Cc1ccc(N2CCN(C(=O)CCc3cnn[nH]3)CC2)nn1 1056025107 XCNHCCUAZSYAFH-UHFFFAOYSA-N 312.337 -0.252 30 20 DBED Cc1nn[nH]c1C(=O)NC1[C@H]2CN(c3ccnc(C#N)n3)C[C@H]12 1056362043 KSQGIKSDIQNFPP-IUCAKERBSA-N 310.321 -0.361 30 20 DBED N#Cc1nccnc1N1C[C@H]2C(NC(=O)[C@H]3C[C@H]3C(N)=O)[C@@H]2C1 1056407078 LBUMKXZPIWDFSL-UTINFBMNSA-N 312.333 -0.980 30 20 DBED N#Cc1cncc(N2C[C@@H]3C(NC(=O)Cc4cnc[nH]4)[C@H]3C2)n1 1056429039 XIFNPAUAEUTGJO-RYUDHWBXSA-N 309.333 -0.135 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CCCN(C(=O)CNC(N)=O)[C@@H]2C1 1056594700 BZYUGHSFTITBRD-OUAUKWLOSA-N 307.354 -0.736 30 20 DBED C=C[C@](C)(O)CC(=O)N(CCO)CCNC(=O)c1ccnnc1 1057451176 HARLBRABBCLGNZ-HNNXBMFYSA-N 322.365 -0.646 30 20 DBED C#CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)Cc1cnoc1 1057588169 VOUFEXFWBPAPAH-LBPRGKRZSA-N 323.349 -0.808 30 20 DBED N#Cc1nccc(N2CC[C@@H](NC(=O)C3=COCCO3)C2)n1 1058276943 UEHULPWZHCGWEL-SNVBAGLBSA-N 301.306 -0.069 30 20 DBED N#Cc1nccnc1N1CC[C@@H](NC(=O)[C@@H]2CCC(=O)N2)C1 1058408800 RPORMNMKQNXUDM-ZJUUUORDSA-N 300.322 -0.678 30 20 DBED C=C(C)C[C@@H](C)C(=O)N(CCO)CCNC(=O)Cn1nccn1 1058463574 CFJQAHOJXRHDIC-CYBMUJFWSA-N 323.397 -0.183 30 20 DBED C=CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)c1ccncn1 1058504838 DRJCGNWPYIWFMP-LBPRGKRZSA-N 322.365 -0.382 30 20 DBED C=C[C@](C)(O)CC(=O)NCCN(CCO)C(=O)Cc1ncc[nH]1 1058550029 JLCCHGHELBISSR-HNNXBMFYSA-N 324.381 -0.784 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)C1(CN(C)C)CC1 1058599931 FSKWWNXNSALEFP-UHFFFAOYSA-N 323.437 -0.075 30 20 DBED N#Cc1cnc(N[C@H]2CCN(C(=O)Cn3cnnc3O)C2)cn1 1058854826 LLDDIQJUYMVTFK-VIFPVBQESA-N 314.309 -0.642 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1COCCN1C(=O)[C@@H]1[C@H]2COC[C@H]21 1061573133 LYBISZBGGLBGOK-NYTXWWLZSA-N 318.373 -0.364 30 20 DBED C#CCOCCC(=O)NC[C@H]1COCCN1C(=O)c1cnco1 1061585289 UWTFHWBIYZKWLD-LBPRGKRZSA-N 321.333 -0.328 30 20 DBED C=CCCC(=O)N1CCOC[C@H]1CNC(=O)[C@@H]1CCC(=O)N1C 1061781564 IJPSDYYVAJJDCK-OLZOCXBDSA-N 323.393 -0.083 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)CCn1ccnn1 1061848879 WFRNQAOSPJZDMN-NEPJUHHUSA-N 320.353 -0.829 30 20 DBED Cc1nccn1CC(=O)N1CCOC[C@H]1CNC(=O)[C@H](C)C#N 1061852799 MQAPMKAKWJWRPE-DGCLKSJQSA-N 319.365 -0.305 30 20 DBED C=CCCCC(=O)N1CCOC[C@H]1CNC(=O)Cn1cncn1 1061918101 WCSWUIBBRGXFFO-CYBMUJFWSA-N 321.381 -0.022 30 20 DBED Cn1cc(C(=O)N2C[C@@H]3CC[C@H](C2)N3c2cnc(C#N)cn2)nn1 1061965068 UYQWFVZWTDDSAU-TXEJJXNPSA-N 324.348 -0.030 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(NC(=O)CC(=O)NC)CCC1 1062869492 DCMBNUFGUUZTMB-CQSZACIVSA-N 311.382 -0.395 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(NC(=O)c2ncn(C)n2)CCC1 1062869963 PRMIQGKIDIECRS-CQSZACIVSA-N 321.381 -0.089 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(NC(=O)[C@@H]2COC(=O)N2)CCC1 1063041676 BIGAGAMWJKFWJA-QWRGUYRKSA-N 323.349 -0.712 30 20 DBED C=CCCn1cc(C(=O)NCC2(NC(=O)C(N)=O)CCC2)nn1 1063192277 HIBVDVFQOSCULX-UHFFFAOYSA-N 320.353 -0.892 30 20 DBED C=CCOCC(=O)NC1(CNC(=O)C[C@H]2CCNC2=O)CCC1 1063297858 PYVQJUFRHRFPHT-GFCCVEGCSA-N 323.393 -0.130 30 20 DBED C#CCCCCC(=O)N1CCO[C@H](CNC(=O)CNC(C)=O)C1 1065060720 BSECBYDXDHSYMM-CQSZACIVSA-N 323.393 -0.340 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)CCn2ccnn2)CCO1 1065088316 WWXDXALYBVQSAT-ZDUSSCGKSA-N 321.381 -0.022 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@@H](NC(=O)C(F)F)CC1 1065720522 KFOZBVGFQCHEMB-SNVBAGLBSA-N 315.320 -0.112 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](CNC(=O)c3cc[nH]n3)C2)nc1 1067651575 NPLMOILKQNPNMF-DGCLKSJQSA-N 312.333 -0.097 30 20 DBED N#Cc1nccnc1NCC1CC(NC(=O)Cn2cnnn2)C1 1067829097 GXFKPRHWFAEIKD-UHFFFAOYSA-N 313.325 -0.658 30 20 DBED C[C@@H]1C[C@@H](N=c2cc[nH]c(C#N)n2)CN1C(=O)CS(C)(=O)=O 1069041682 OIYKKEUASLXYSX-NXEZZACHSA-N 323.378 -0.784 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2ccn(CC)n2)C1 1070046775 ODBMMQVHVCTMIT-KGLIPLIRSA-N 313.365 -0.217 30 20 DBED C=CCN1CC[C@H](c2n[nH]cc2CNC(=O)c2nnn(C)n2)C1 1070419622 DEWXMDDOZWCRIV-JTQLQIEISA-N 316.369 -0.162 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)c2nccnc2N)CC1 1070949463 FXMJPAPTMBAIEU-UHFFFAOYSA-N 318.381 -0.491 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)C2=CCOCC2)CC1 1070958651 LVXQIVMDMCVKOP-UHFFFAOYSA-N 305.378 -0.383 30 20 DBED CC(=O)NCC(=O)N1C[C@H](C)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 1071495585 IPCNJXKHARMNSE-TVQRCGJNSA-N 317.349 -0.401 30 20 DBED C=CCCC(=O)N1C[C@H](C)[C@H](NC(=O)CN2CCNC(=O)C2)C1 1071778545 VWILJSFOIRQHFL-QWHCGFSZSA-N 322.409 -0.653 30 20 DBED C=CCOCC(=O)N1C[C@H](C)[C@H](NC(=O)c2cc(=O)n(C)o2)C1 1071809798 YUARWZFEBAQUSO-WDEREUQCSA-N 323.349 -0.242 30 20 DBED CNC(=O)CC(=O)N1C[C@H](C)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 1071968289 UVGHVMFHMHVUOR-JOYOIKCWSA-N 317.349 -0.401 30 20 DBED C#CCOCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)CNC(=O)CC)C1 1072096912 GBBBNCXWLQDDKT-OLZOCXBDSA-N 323.393 -0.484 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1C 1072161933 SNKDFPIFFQLMOP-GHMZBOCLSA-N 306.370 -0.152 30 20 DBED C=CCCOCC(=O)N1C[C@H](C)[C@@H](NC(=O)c2cnn[nH]2)C1 1072338862 IHJWFVCLGNWRDW-JQWIXIFHSA-N 307.354 -0.026 30 20 DBED C=CCCC(=O)N[C@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@@H]1C 1072516622 XFDJYPGNBOYYOJ-QWRGUYRKSA-N 322.365 -0.533 30 20 DBED C#CCNC(=O)CC(=O)N1CCC(C)(NC(=O)[C@H](C)OC)CC1 1072962435 VTVJQNQSWCVNRT-LBPRGKRZSA-N 323.393 -0.342 30 20 DBED C#CCCN1CCC2(C1)CN(C(=O)[C@H]1CCS(=O)(=O)N1)C2 1073438802 BTFGTOXYDVPUBI-GFCCVEGCSA-N 311.407 -0.764 30 20 DBED C=CCCC(=O)N1CCN(C2CN(C(=O)CC(=O)NC)C2)CC1 1073551315 IYNUHQMXITUISN-UHFFFAOYSA-N 322.409 -0.556 30 20 DBED CC(C)C#CC(=O)NCC[C@H](C)NC(=O)CN1C(=O)CNC1=O 1076410251 FWTKSCWCRVBMAY-NSHDSACASA-N 322.365 -0.791 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)c2cn(CCOC)nc2C)C1 1076992251 LFONAQNUOUUXKO-HUUCEWRRSA-N 320.393 -0.364 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCCN(C)C2=O)C1 1077993389 OMMNOSWHIZOYRS-MGPQQGTHSA-N 309.410 -0.018 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)Cc2nc(C3CC3)nn2C)C1 1078206118 QFUVBMOMSCWCPM-VXGBXAGGSA-N 303.366 -0.971 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)C2CCC(NC(C)=O)CC2)C1 1078280119 QFGBDXVTZVFJEK-NEXFUWMNSA-N 307.394 -0.524 30 20 DBED C=CCN[C@@H]1C[C@H](NC(=O)Cn2c(O)nnc2O)C12CCC2 1078795782 UHHNNCBHPITVCK-ZJUUUORDSA-N 307.354 -0.108 30 20 DBED CCN(C(=O)CSCC#N)C1CN(C(=O)c2cnnn2C)C1 1079342036 XGTURSUDAUGLGY-UHFFFAOYSA-N 322.394 -0.255 30 20 DBED C#CCCCC(=O)N1CC(N(CC)C(=O)CCNC(N)=O)C1 1079749440 NKCDXWGWPGFYRG-UHFFFAOYSA-N 308.382 -0.092 30 20 DBED C=C[C@](C)(O)CC(=O)NC1(CO)CCN(C(=O)[C@H](C)C#N)CC1 1080836262 ZEPLGTUEQGRRDS-DOMZBBRYSA-N 323.393 -0.057 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CO)(NC(=O)c2cnnn2C)CC1 1080839424 LGIPMYLAAUGSSK-JTQLQIEISA-N 320.353 -0.942 30 20 DBED C#CCCCC(=O)N1C[C@H](CNC(=O)Cn2ccnc2)[C@@H](O)C1 1081581137 XUZISNFXACSFAT-KBPBESRZSA-N 318.377 -0.378 30 20 DBED C#CCN1C[C@@H](NC(=O)c2cn(CCOC)nc2C)[C@H](OC)C1 1081662219 RQDBJOFXBUPRML-HUUCEWRRSA-N 320.393 -0.100 30 20 DBED C=CCCCC(=O)NC[C@@H]1CN(C(=O)c2cnn[nH]2)C[C@@H]1O 1081703157 MNSRZYPMOUBRDB-PWSUYJOCSA-N 307.354 -0.290 30 20 DBED C=C(C)CCC(=O)N1C[C@H](CNC(=O)Cc2nc[nH]n2)[C@@H](O)C1 1081792097 YOGJJFLVLBNZRN-RYUDHWBXSA-N 321.381 -0.361 30 20 DBED C=CCOCC(=O)N1CCCC[C@H]1CNC(=O)[C@H]1CNC(=O)N1 1081958131 WZDHGXOLOSJQHI-NWDGAFQWSA-N 324.381 -0.632 30 20 DBED NC(=O)NCCC(=O)N1CCCC[C@H]1CNC(=O)C#CC1CC1 1082068816 IALJQBQPKZUIOA-ZDUSSCGKSA-N 320.393 -0.045 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CCCCN1C(=O)CCNC(N)=O 1082068895 KSKMXUSJCHQQDO-QWRGUYRKSA-N 309.370 -0.298 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CCCCC(=O)N1 1083188793 MNGNMXMKEFBFOR-RWMBFGLXSA-N 306.366 -0.520 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1ccc(=O)n(CC)n1 1083226248 SPTBBEBBJUXAJH-UONOGXRCSA-N 316.361 -0.578 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2ccc(NC(C)=O)cn2)C1 1083509846 AOQDBDPLYJMDCU-KGLIPLIRSA-N 302.334 -0.552 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2coc(C(F)(F)F)n2)C1 1083605795 QELWUOQLBHLWNF-SVRRBLITSA-N 304.228 -0.008 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2CN(C(C)C)CCO2)C1 1083723701 XCRDYWVELBEUPW-ILXRZTDVSA-N 311.426 -0.167 30 20 DBED COc1c(O)nc(O)nc1C(=O)NC[C@H]1CC[C@@H](NCC#N)C1 1086852923 XVRLPTNMBDJGEU-DTWKUNHWSA-N 321.337 -0.092 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CN(c2ccc3nccnc3n2)C[C@H]1O 1090392092 OJVLVOQMCSBFRR-YUSALJHKSA-N 312.333 -0.150 30 20 DBED COCc1ncsc1C(=O)N[C@@H]1CCN(CC#N)C[C@@H]1O 1090635023 YWXVGVHXHFCRKX-KOLCDFICSA-N 310.379 -0.022 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2cn(CC3CC3)nn2)[C@@H](O)C1 1090682060 IGUNZOBNDAANND-ZFWWWQNUSA-N 317.393 -0.124 30 20 DBED C[C@@H]1CN(c2nccnc2C#N)C[C@H]1NC(=O)C1(C(N)=O)CC1 1090828600 YCBMIXPJQQCTHZ-MWLCHTKSSA-N 314.349 -0.445 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(c2cc(F)ncn2)C[C@H]1OC 1090921614 RDGSYPUPHORLEV-QJPTWQEYSA-N 322.340 -0.026 30 20 DBED CNC(=O)CC(=O)N1C[C@@H](Nc2ccc(C#N)nn2)[C@H](C)C1 1090967759 IZQQDLYIFNYGDK-MWLCHTKSSA-N 302.338 -0.257 30 20 DBED CCO[C@@H](C)C(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1091066964 GNGIXHXTQNVUHI-WCQGTBRESA-N 305.338 -0.561 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(c2cc(C)nc(CO)n2)C[C@@H]1O 1091101608 JQTWKQSZVZDNPA-OLZOCXBDSA-N 318.377 -0.253 30 20 DBED N#Cc1ccc(N[C@H]2C[C@H](CNC(=O)CNC(N)=O)C2)nn1 1091423167 UXSQAXPNPZFEEA-CZMCAQCFSA-N 303.326 -0.677 30 20 DBED CNC(=O)CC(=O)N1CCN(c2ncc(C#N)cc2F)CC1 1093145752 ZUEIOWJFUQVQIR-UHFFFAOYSA-N 305.313 -0.123 30 20 DBED CC(=O)NCCCCCC(=O)NCCN=c1cc[nH]c(C#N)n1 1093614273 QOBPMTPUTRQCOH-UHFFFAOYSA-N 318.381 -0.005 30 20 DBED CNC(=O)NCC(=O)N[C@H]1CCCN(c2cncc(C#N)n2)C1 1096239792 NKVPRVYDXVYMKB-JTQLQIEISA-N 317.353 -0.638 30 20 DBED N#Cc1ccc(N[C@@H](CNC(=O)[C@@H]2CNC(=O)N2)C2CC2)nn1 1096799754 AAQNPXROYZYVLL-QWRGUYRKSA-N 315.337 -0.664 30 20 DBED CC(=O)N[C@@H](C)C(=O)N1CC[C@H](Nc2nccnc2C#N)C1 1096913630 NIYFMSYLUXTIGB-ONGXEEELSA-N 302.338 -0.114 30 20 DBED C=CCCCN1CC[C@H](NC(=O)CN2CCCNC2=O)[C@H](O)C1 1099903195 BRVXSTYPEFZRLW-UONOGXRCSA-N 324.425 -0.081 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1CC(NCC(=O)NCC#N)C1 1100285452 JHBFZNVYIXKAJK-KOHJWAIASA-N 308.382 -0.562 30 20 DBED C#CCO[C@H](C)C(=O)N(C)CCN=c1cc[nH]c(C(=O)OC)n1 1101781592 YDPBQZWVOFEPOV-LLVKDONJSA-N 320.349 -0.406 30 20 DBED CCn1nnc(C)c1C(=O)N(C)CCN=c1cc[nH]c(C#N)n1 1101823274 VLPNXLMPWYJALC-UHFFFAOYSA-N 314.353 -0.126 30 20 DBED Cc1cc(=NCCN(C)C(=O)[C@@H]2CNC(=O)N2)c(C#N)c[nH]1 1101921188 CQDIMTOXVWGMPD-LBPRGKRZSA-N 302.338 -0.765 30 20 DBED CN(C)C(=O)CC(=O)N(C)[C@H]1CCN(c2cnc(C#N)cn2)C1 1102764879 KGGCEGXSDFTMPR-LBPRGKRZSA-N 316.365 -0.136 30 20 DBED CC[C@H](CNC(=O)[C@H]1CNC(=O)N1)Nc1ncccc1C#N 1103277491 JQLPKIXLNRPHSQ-GHMZBOCLSA-N 302.338 -0.059 30 20 DBED COCC#CCN1C[C@@H](C)[C@H](CCNC(=O)CCNC(N)=O)C1 1103705573 BMXJMEOUVXZVEX-ZIAGYGMSSA-N 324.425 -0.231 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCC(=O)N1)CNc1ccc(C#N)nn1 1103901713 KCKJAOXTCDLUMP-MWLCHTKSSA-N 302.338 -0.209 30 20 DBED Cc1cc(C(=O)N2CC(n3cc(CNCC#N)nn3)C2)on1 1105153572 VEHLWNVIDKTDCK-UHFFFAOYSA-N 301.310 -0.115 30 20 DBED CN(CCN(C)c1ccc(C#N)nn1)C(=O)CS(C)(=O)=O 1105344471 GEDKJWQKINXPJX-UHFFFAOYSA-N 311.367 -0.713 30 20 DBED CN(CCN(C)c1cnc(C#N)cn1)C(=O)CCn1ccnn1 1105381588 GBCMRBNEVFYOSC-UHFFFAOYSA-N 314.353 -0.075 30 20 DBED Cc1cn(C)nc1C(=O)NC[C@H](O)CN=c1cc[nH]cc1C#N 1105818792 QAVOQLAZWLKCSS-GFCCVEGCSA-N 314.349 -0.380 30 20 DBED CN(C)CCCCC(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1 1105908539 SNADDALIESUPEC-GFCCVEGCSA-N 320.397 -0.609 30 20 DBED N#Cc1cnc(NC[C@@H](O)CNC(=O)[C@@H]2CCC(=O)N2)c(F)c1 1105922677 VXUVFUJJRILFIQ-KOLCDFICSA-N 321.312 -0.740 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)[C@]2(F)CCOC2)nn1 1106072188 HOZZYBYCGOLEFE-MFKMUULPSA-N 309.301 -0.634 30 20 DBED C#CCOCCC(=O)N1C[C@@H](C)[C@H](CN[C@H](C)C(=O)NC)C1 1106116489 FWKKYQNQZBDNRF-MGPQQGTHSA-N 309.410 -0.155 30 20 DBED C#CCNC[C@@H]1CN(C(=O)CCNS(C)(=O)=O)C[C@H]1C 1106203935 ZAYLEHSVZJDCAJ-VXGBXAGGSA-N 301.412 -0.757 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)[C@@H]1CN(C)CCO1 1106709930 NFHIIXIFYVLHJZ-LBPRGKRZSA-N 318.381 -0.639 30 20 DBED C#CCNC[C@@H]1CN(C(=O)c2nc(O)nc(O)c2OC)C[C@H]1C 1106872166 IUKOEBTWOJEGGZ-NXEZZACHSA-N 320.349 -0.173 30 20 DBED C=CCO[C@@H](C)C(=O)NCc1cn(C2CN(C[C@@H](C)O)C2)nn1 1107240733 GZNMAONYKLHMAJ-NEPJUHHUSA-N 323.397 -0.277 30 20 DBED N#Cc1ccc(NC/C=C\CNC(=O)C(=O)NCC2CC2)nn1 1107310491 ZFYPGAJUTHMHAP-UPHRSURJSA-N 314.349 -0.041 30 20 DBED CNC(=O)C1(C(=O)N[C@H](C)CN=c2cc[nH]c(C#N)n2)CCC1 1107861758 NDFUEEFLKFZZOH-SNVBAGLBSA-N 316.365 -0.397 30 20 DBED C[C@H](CNc1ccc(C#N)nn1)NC(=O)[C@H]1CC(=O)N(C)C1 1108177535 ACHISOOFQXHMND-ZJUUUORDSA-N 302.338 -0.257 30 20 DBED C[C@@H](CN=c1cc[nH]cc1C#N)NC(=O)[C@H]1CCC(=O)N1C 1108662965 WUVPTFHPUSBOBL-GXFFZTMASA-N 301.350 -0.087 30 20 DBED C[C@@H](CNc1cncc(C#N)n1)NC(=O)c1cc(=O)n(C)cn1 1108761002 PHQLDLOFNKUXEY-VIFPVBQESA-N 313.321 -0.328 30 20 DBED Cc1ocnc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1109002873 VOVZTIVHYCPAFJ-WOPDTQHZSA-N 317.349 -0.042 30 20 DBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1n[nH]cc1F 1109684879 HVQJTWXQNRVDEQ-MIMYLULJSA-N 320.328 -0.476 30 20 DBED CNC(=O)CC(=O)N[C@@H]1[C@H]2C[C@H]1N(c1nc(C)cc(C#N)n1)C2 1109699613 OJZILYRQHLUNIQ-DRCTWCGVSA-N 314.349 -0.514 30 20 DBED N#Cc1nccc(NC2(CNC(=O)C3(C(N)=O)CC3)CC2)n1 1110323348 LSLNHBGJSLWBDK-UHFFFAOYSA-N 300.322 -0.326 30 20 DBED N#Cc1cnc(NC2(CNC(=O)[C@H]3CNC(=O)N3)CC2)cn1 1110324410 NDOREMBKHHVXFP-SECBINFHSA-N 301.310 -0.910 30 20 DBED N#Cc1nccnc1N1CC[C@@](O)(CNC(=O)c2cc[nH]n2)C1 1111031222 DZMXZCLYADWGCW-CQSZACIVSA-N 313.321 -0.557 30 20 DBED N#Cc1nccnc1NCCN(CCO)C(=O)c1cn[nH]c1 1111444145 NYNSDRMDCKZCDM-UHFFFAOYSA-N 301.310 -0.382 30 20 DBED O=C(C#CC1CC1)N(CCO)CCNc1ccc2nnnn2n1 1111463647 FUYWVMBDQOHRIS-UHFFFAOYSA-N 315.337 -0.835 30 20 DBED O=C(C#CC1CC1)N(CCO)CCNc1nccn2nnnc12 1111464606 DJBOCCUVOWVPTN-UHFFFAOYSA-N 315.337 -0.835 30 20 DBED Cc1c[nH]c(C(=O)N(CCO)CCNc2cncc(C#N)n2)n1 1111574978 BVACBHMRIXKLSI-UHFFFAOYSA-N 315.337 -0.074 30 20 DBED C=CCOCC(=O)NC[C@H]1COCCN1c1cnc(C#N)cn1 1111670946 APANWTOLUHSAMD-ZDUSSCGKSA-N 317.349 -0.128 30 20 DBED C[C@@H](N=c1cc[nH]c(C#N)n1)[C@@H](C)NC(=O)c1c[nH]c(=O)cn1 1113294474 ZIZHZGWBYXJLQV-RKDXNWHRSA-N 313.321 -0.528 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)C3=COCCO3)[C@H]2C1 1113805557 GEGDADATORDDNW-SRVKXCTJSA-N 319.361 -0.941 30 20 DBED C[C@@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)N(C)c1ccc(C#N)nn1 1113882452 WQOFKJPYSVPFMJ-GDPRMGEGSA-N 302.338 -0.589 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)CSCC#N)[C@H]2C1 1113899396 LYJNKVJSXUJPFR-SRVKXCTJSA-N 320.418 -0.573 30 20 DBED N#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)C[C@H]3CCCO3)[C@H]2C1 1113926227 XLAKDPCHBNRWQW-FJJYHAOUSA-N 306.366 -0.758 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)c3[nH]c(O)nc3C)[C@@H]2C1 1114437320 YPGUBCFMTZRCBX-GHMZBOCLSA-N 304.350 -0.266 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)c3cncn3C)[C@@H]2C1 1114524573 XAZFEFRKTXECIR-QJPTWQEYSA-N 317.393 -0.229 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)[C@@H](CC(C)C)OC)[C@@H]2C1 1114803047 FOIOHHMIDHFALP-MGPQQGTHSA-N 321.421 -0.157 30 20 DBED C#CCCN1C[C@H]2C(NC(=O)CC[C@H]3NC(=O)NC3=O)[C@@H]2C1 1115216799 JOOSKUQIRWGIGI-GMTAPVOTSA-N 304.350 -0.956 30 20 DBED C=CCOc1cccc(NC(=O)C(=O)NN2CC(=O)NC2=O)c1 1117438344 HWNQIQGCQKZNKQ-UHFFFAOYSA-N 318.289 -0.227 30 20 DBED C[C@H](C[C@H]1CCOC1)NC(=O)C(=O)N1CC[C@](O)(CC#N)C1 1118215441 NXSGXSJHIABBAI-LALPHHSUSA-N 309.366 -0.205 30 20 DBED C=C(C)CCn1nnnc1N1CC[C@H](S(=O)(=O)NC)C1 1120155663 MOAWCWDNGWLJCT-JTQLQIEISA-N 300.388 -0.233 30 20 DBED C=CCNC(=O)CN1CCC[C@H]1[C@H]1CCCN(C(=O)C(N)=O)C1 1120423447 UOBCTHWPZYMCBN-STQMWFEESA-N 322.409 -0.523 30 20 DBED N#Cc1nc(=N[C@@H](CO)CNC(=O)[C@H]2CCCOC2)cc[nH]1 1121198028 NPTSLBJODPXQOZ-WDEREUQCSA-N 305.338 -0.914 30 20 DBED CCCN(C)CC(=O)NC[C@@H](CO)Nc1nccnc1C#N 1121888266 RQKZHDRLMHPSBG-NSHDSACASA-N 306.370 -0.421 30 20 DBED CNS(=O)(=O)CC(=O)NC1CC2(CC(NCC#N)C2)C1 1122203411 WNWPEHXJJSQKCE-UHFFFAOYSA-N 300.384 -0.924 30 20 DBED Cc1cc(C#N)nc(N[C@H](CO)CNC(=O)Cc2cnoc2)n1 1122392165 XWTNLADJJARCIF-LBPRGKRZSA-N 316.321 -0.224 30 20 DBED C#Cc1cncc(C(=O)NC[C@H](CO)N=c2cc[nH]cc2C#N)c1 1122508511 OSLLNNUDUILABA-OAHLLOKOSA-N 321.340 -0.046 30 20 DBED CN(C[C@H](O)CNc1cncc(C#N)n1)C(=O)CC(C)(C)O 1124289517 GBBUMHVHSFSPAR-LLVKDONJSA-N 307.354 -0.260 30 20 DBED Cc1nc[nH]c1C(=O)N(C)C[C@H](O)CN=c1cc[nH]c(C#N)n1 1124398653 CHHCGCYDUWTTJC-SNVBAGLBSA-N 315.337 -0.653 30 20 DBED N#Cc1ccc(C(=O)NCCNCC(=O)N2CCOCC2)[nH]1 1125776328 LUMRVFIXOVQGRK-UHFFFAOYSA-N 305.338 -0.935 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)COc1cc(C)on1 1129915232 GMZDAEZVQXKLKT-LLVKDONJSA-N 308.338 -0.794 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCC(=O)NCCN(CCF)CC1 1131357346 RADKMILVESKTSX-HNNXBMFYSA-N 315.389 -0.067 30 20 DBED C#CCCN1CC[C@]2(C1)CN(C(=O)CNC(N)=O)C[C@@H](C)O2 1131631891 JITDNBZGNGOXCU-DOMZBBRYSA-N 308.382 -0.630 30 20 DBED C#CCCCC(=O)N[C@H]1CC[C@H](C)N(CC(=O)NC(N)=O)C1 1131996220 RWZWDTDYBKUMQZ-RYUDHWBXSA-N 308.382 -0.046 30 20 DBED C=CCNC[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)CC[C@@H]1C 1133307172 VNUGODNKIRFXHI-NWDGAFQWSA-N 308.382 -0.202 30 20 DBED C=CCCCCCNCCNC(=O)CNS(=O)(=O)N(C)C 1134487560 RAPMOYMDAGTKCU-UHFFFAOYSA-N 320.459 -0.165 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@H]1CCC[C@@H](C(N)=O)C1 1134614503 ZCKDWKUPRBVPCZ-NEPJUHHUSA-N 310.398 -0.714 30 20 DBED Cc1nccn1CC(=O)N[C@H](C)C[C@@H](C)NCC(=O)NCC#N 1146334690 ZOVGXEZLIYDEDP-VXGBXAGGSA-N 320.397 -0.296 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1c2ccccc2nn1C 1146631346 DCQKRMNGIHVPDH-UHFFFAOYSA-N 313.361 -0.358 30 20 DBED N#Cc1ccc(CNCCNC(=O)CN2C(=O)CCC2=O)cc1 1150474004 YLWZBUWATFUSIZ-UHFFFAOYSA-N 314.345 -0.087 30 20 DBED C=CCNC(=O)NC(=O)CNCCCNC(=O)[C@H]1CCOC1 1155439760 OVOXCZWWZXHFBY-NSHDSACASA-N 312.370 -0.869 30 20 DBED C=CCCO[C@@H](C)C(=O)NCCCN[C@@H](C)C(=O)NC(N)=O 1155454710 KMZUHMWHWZOWTB-QWRGUYRKSA-N 314.386 -0.353 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1cnc2n1CCC2 1160186528 NRBAKOLYKFPPIG-UHFFFAOYSA-N 303.366 -0.712 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)CCc1nc(C)no1 1163639138 UOIRUJBOBXAEOF-NSHDSACASA-N 321.381 -0.456 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H]2OCCN(CC#CC)[C@H]2C1 1176983492 UOCOGHVEJGJELF-LSDHHAIUSA-N 317.389 -0.549 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)C(=O)NCC(F)F)C[C@H]21 1177042696 RCWVUXHMSJZKGA-MNOVXSKESA-N 315.320 -0.697 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)C[C@@](C)(O)C2CC2)[C@H]1C 1178485678 OTQUROBOBBTDOS-RVSPLBMKSA-N 321.421 -0.134 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)c2cncnc2)[C@H]1C 1178530337 ZUUVVOJECYSATJ-OBJOEFQTSA-N 315.377 -0.193 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)CC(=O)NC)[C@H]1C 1178544595 MHZPAPHMMXVLSX-WOPDTQHZSA-N 310.398 -0.608 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)c2cncn2C)[C@H]1C 1179075376 GWAMIJAENPOTFR-RYUDHWBXSA-N 305.382 -0.085 30 20 DBED C#CCCNCCCCCCNC(=O)CN1CCNC(=O)C1 1179219703 LTSOYZAOUOSLTL-UHFFFAOYSA-N 308.426 -0.292 30 20 DBED C=CCN1CC[C@H](N[C@@H]2CCN(C(=O)[C@H](C)NC(N)=O)C2)C1=O 1182195304 TZZKIRZVLIUEIV-TUAOUCFPSA-N 323.397 -0.979 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@@H](NCCNC(=O)C2CC2)C1 1182505273 UXIPTZXUCFBVIJ-TZMCWYRMSA-N 307.394 -0.259 30 20 DBED C#CCCN[C@@H]1CCN(C(=O)Cc2ccc(C(N)=O)nc2)C1 1183628701 GVZZACKBWLXUBN-CYBMUJFWSA-N 300.362 -0.063 30 20 DBED C#CCCNC[C@H]1CCN(C(=O)Cn2c(O)nnc2O)C[C@H]1C 1185576308 ZVWUNHRMPLVCKH-VXGBXAGGSA-N 321.381 -0.213 30 20 DBED C#CCNC[C@@H]1CCN(C(=O)c2nccnc2C(N)=O)C[C@H]1C 1185651687 IRIBBPLZZLLURZ-NEPJUHHUSA-N 315.377 -0.104 30 20 DBED C=CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3ccnn3C)[C@@H]2C1 1187124688 FUQXBPYPOOVPKN-GXTWGEPZSA-N 317.393 -0.131 30 20 DBED C=CCOCC(=O)N1CC[C@H]2CN(Cc3nnn(C)n3)C[C@H]21 1187296577 OOYSYNFQRZANKA-NWDGAFQWSA-N 306.370 -0.555 30 20 DBED CCN(C)C(C)(C)C(=O)N1CC[C@@H](N(C)CC(=O)NCC#N)C1 1191019149 JQXLLXGRFFJPLW-CYBMUJFWSA-N 323.441 -0.111 30 20 DBED C/C(=C/C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1O)C1CC1 1191410188 VSMPKDJVNHBLAW-PIFJCSEESA-N 306.366 -0.856 30 20 DBED CN(C(=O)CN1C[C@@H](O)[C@H](NC(=O)C#CC(C)(C)C)C1)C1CC1 1192813783 OCCPVEADTPCLDH-ZIAGYGMSSA-N 321.421 -0.182 30 20 DBED C#CCCN(C)[C@H]1CCN(C(=O)[C@@H]2CN(C(C)=O)CCO2)C1 1193785876 BIXKZYOLTWAIKX-GJZGRUSLSA-N 307.394 -0.210 30 20 DBED C=CCOCCN(C)[C@H]1CCN(C(=O)CN2C(=O)CCC2=O)C1 1193915040 OQYGBPZLRYVYNJ-ZDUSSCGKSA-N 323.393 -0.129 30 20 DBED COCC#CCN1CCCN(C(=O)CN2CCOCC2)CC1 1195516133 XBOUUFIIBQSDRZ-UHFFFAOYSA-N 309.410 -0.497 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)CN2CCC[C@H]2C)C1 1196169102 OMKKLNWZOGEQLE-RBSFLKMASA-N 309.410 -0.718 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)CCc2nc3cnccc3[nH]2)C1 1197551832 ULMVPMUXAQNDDL-CHWSQXEVSA-N 314.349 -0.425 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)[C@@H]2CCCNC2=O)CCCO1 1200738605 XSBBCESDZVHFOR-ZIAGYGMSSA-N 307.394 -0.257 30 20 DBED C[C@@H]1CN(CC(=O)N2CCC2)C[C@H]1NC(=O)CSCC#N 1206090459 WAJFAZAMQKGAJY-VXGBXAGGSA-N 310.423 -0.088 30 20 DBED C=CCNC(=O)[C@H](C)N[C@H]1CCCN(C(=O)CNC(C)=O)C1 1207124831 HZJXVZLDOBAYFW-AAEUAGOBSA-N 310.398 -0.606 30 20 DBED Cc1nc(C(=O)N2CCC[C@H](NCC(=O)NCC#N)C2)co1 1207884027 SDLAIRVEWQUXRG-NSHDSACASA-N 305.338 -0.183 30 20 DBED CCn1cc(C(=O)N[C@@H]2CN(CC#CCOC)C[C@H]2C)nn1 1209837429 YFHXJMAIRFMFDR-CHWSQXEVSA-N 305.382 -0.002 30 20 DBED C=CCOCCN1C[C@@H](NC(=O)C[C@@H]2CC(=O)NC2=O)[C@H](C)C1 1211497658 MUUPIUDDEXNWFK-JHJVBQTASA-N 323.393 -0.322 30 20 DBED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)c1cc(F)c[nH]1 1213180150 SQHXFZVACJODHO-VXGBXAGGSA-N 323.328 -0.777 30 20 DBED C#CCN1C[C@@H](NC(=O)CCn2cnccc2=O)[C@H](OC)C1 1213646120 GIMXKJBJLZMIFY-CHWSQXEVSA-N 304.350 -0.918 30 20 DBED C=C[C@@](C)(O)CC(=O)N1C[C@@H](NCc2nnn(C)n2)[C@H](C)C1 1214521011 UAXSTTSKMBDIEN-JTNHKYCSSA-N 308.386 -0.526 30 20 DBED Cn1cncc1CN1C[C@H](O)[C@H](NC(=O)CSCC#N)C1 1219220015 YQQRPDMMLSVWST-NEPJUHHUSA-N 309.395 -0.662 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2cc(C)n(C)n2)C[C@@H]1O 1219605265 NOAIOKSULSHNMC-YUELXQCFSA-N 320.393 -0.572 30 20 DBED CCOCCC(=O)N1C[C@H]2CCN(CC(=O)NCC#N)C[C@H]21 1221433089 UOEIJWHKQUBSIU-CHWSQXEVSA-N 308.382 -0.415 30 20 DBED C#CCOCCC(=O)NC1CCN(Cc2ncnn2C)CC1 1227332240 LPTVRUHEJRZRST-UHFFFAOYSA-N 305.382 -0.064 30 20 DBED C#CCN1CCS(=O)(=O)[C@@H](CCNC(=O)c2cccnn2)C1 1230512360 OHIZAKLYERSCET-LBPRGKRZSA-N 322.390 -0.671 30 20 DBED N#C[C@@]1(NC(=O)C2CCN(S(N)(=O)=O)CC2)CCSC1 1251424363 PBZVFLLVDDLQIT-NSHDSACASA-N 318.424 -0.583 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(CC(=O)N(C)CC)C1 1269034121 PVQVEOCWOVLVIB-GJZGRUSLSA-N 320.437 -0.247 30 20 DBED C=CCNC(=O)CN1CCC[C@@H](NC(=O)c2cncnc2O)C1 1316944424 QVPBVIJHYRAKPK-LLVKDONJSA-N 319.365 -0.321 30 20 DBED N#CCOc1ccc(NC(=O)C(=O)NCCn2cncn2)cc1 1318739879 KWNDKXIYDOQSCE-UHFFFAOYSA-N 314.305 -0.065 30 20 DBED C=CCN1CCC(NC(=O)N(C)CCNS(C)(=O)=O)CC1 1318804261 NIGGHTFYZZHPJC-UHFFFAOYSA-N 318.443 -0.173 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)NCCCN2CCCCC2)CCO1 1321371021 OBHVCRPOKKWULC-CYBMUJFWSA-N 308.382 -0.270 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCCOC[C@@H]1C 1323767382 XROQUNMJGQPZEV-NSHDSACASA-N 318.395 -0.659 30 20 DBED N#C[C@H]1CC[C@@H](NC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)C1 1325927365 ZEIQKYNJAZXHEL-CRWXNKLISA-N 320.393 -0.226 30 20 DBED C=CCOCCNC(=O)C(=O)N1C[C@@H](CO)OC(C)(C)C1 1327104532 QFMQQYOJPLZKMU-NSHDSACASA-N 300.355 -0.697 30 20 DBED C=CC[C@H]1CCCN(C(=O)C(=O)NCC(=O)N2CCOCC2)C1 1327976746 QNGBWMQTWNNVRL-ZDUSSCGKSA-N 323.393 -0.224 30 20 DBED COc1ncccc1CNC(=O)C(=O)N1CC[C@](O)(CC#N)C1 1332195895 ZWRQGVDGDSTUKH-OAHLLOKOSA-N 318.333 -0.417 30 20 DBED C=CCn1c(CCO)nnc1N1CCN(C(=O)COC)CC1 1339095177 MMUVSMOZTSRXBB-UHFFFAOYSA-N 309.370 -0.706 30 20 DBED C=CCn1c(C(N)=O)nnc1N1CCN(CCOCC)CC1 1339528224 HAVGTIFTXXJPBD-UHFFFAOYSA-N 308.386 -0.279 30 20 DBED CCOC(=O)[C@@H](C)CNC(=O)CCn1cc(C#N)c(O)nc1=O 1362048144 NDMRTEYSTXNVLT-VIFPVBQESA-N 322.321 -0.474 30 20 DBED CC(=O)[C@@H]1CCCCN1C(=O)Cn1cc(C#N)c(O)nc1=O 1362871417 VUQWDLGAWDRXOL-NSHDSACASA-N 304.306 -0.209 30 20 DBED Cc1cc(=NC(=O)NCCn2cc(C#N)c(O)nc2=O)cc[nH]1 1364323832 LQDHECRPORIWGX-UHFFFAOYSA-N 314.305 -0.232 30 20 DBED C=C(Cl)CN1CC[C@@H]1CNC(=O)CN1CCOCC1=O 1367942322 IPQKCILQXFJZKJ-LLVKDONJSA-N 301.774 -0.212 30 20 DBED COCC(=O)N1C[C@@H](NC(=O)[C@@H](C)C#N)[C@H](c2cnn(C)c2)C1 1371794591 MWILZBYPUMXZPT-WCFLWFBJSA-N 319.365 -0.363 30 20 DBED CCC(=O)N[C@@H](C)C(=O)N(C)CCNC(=O)c1cc(C#N)c[nH]1 1373397839 WCODHAVBHYCYMA-JTQLQIEISA-N 319.365 -0.011 30 20 DBED C=C(Cl)CN1CC[C@H]1CNC(=O)CCn1ncn(C)c1=O 1392847317 MWOJYPIPOUNYMN-NSHDSACASA-N 313.789 -0.085 30 20 DBED C[C@@H](CNC(=O)[C@@H](C)C#N)NC(=O)Cc1nc2ncccn2n1 1410363391 KTUDHYMZHYBFDG-UWVGGRQHSA-N 315.337 -0.553 30 20 DBED Cn1c(=O)[nH]c(N[C@@H]2Cc3ccccc3NC2=O)c(C#N)c1=O 1413899149 BMGOAYCTGSVSSC-LLVKDONJSA-N 311.301 -0.079 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNCC(=O)NCc1ccccc1 1420111459 OKCXJHRUYDKDRR-GXTWGEPZSA-N 318.377 -0.471 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CN(C)CC(=O)NC(N)=O)CC1 1420932316 CEUZMSSCQYNTBS-JTQLQIEISA-N 309.370 -0.489 30 20 DBED C[C@H](C#N)C(=O)NCC1(N[C@H](C)C(=O)NC(N)=O)CCCC1 1421811655 DIURHVJGXPELEY-NXEZZACHSA-N 309.370 -0.252 30 20 DBED CC(C)S(=O)(=O)CC(=O)N1CC(NC(=O)[C@@H](C)C#N)C1 1430291302 NKPZAEIEOVKOIQ-VIFPVBQESA-N 301.368 -0.704 30 20 DBED CNC(=O)c1ccc(C(=O)NC[C@@H](C)NC(=O)[C@H](C)C#N)cn1 1430671562 AKXHZNJESIIMDS-NXEZZACHSA-N 317.349 -0.165 30 20 DBED C[S@](=O)C1(CNC(=O)CCn2cc(C#N)c(O)nc2=O)CC1 1433936260 JSYIJMJKRKEXLP-QFIPXVFZSA-N 324.362 -0.762 30 20 DBED CCN1CCOC[C@@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H](C)C#N)C1 1445952268 COYGNDJCIXFWMN-IGQOVBAYSA-N 322.409 -0.122 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC(CNC(=O)Cn3cncn3)C2)c1 1450709190 MYPISXIADSWMGU-UHFFFAOYSA-N 313.321 -0.634 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](NC(=O)C1(NC(N)=O)CC1)C(C)(C)C 1452068900 ZMUKWLZCTBLMTM-ZJUUUORDSA-N 323.397 -0.006 30 20 DBED CCCC[C@H](CNC(=O)[C@H](C)C#N)NC(=O)Cn1cnnn1 1509294081 ZYRMTTDHDDOSFI-GHMZBOCLSA-N 307.358 -0.376 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H](C)C1CN(C(=O)CNC(=O)O)C1 1573311260 KYTPJMGGIKRDCH-ZJUUUORDSA-N 311.338 -0.745 30 20 DBED C=C(C)C[C@@H](NC(=O)c1nc(C)n(-c2nc[nH]n2)n1)C(=O)O 1573324362 QEVCXRCDRKYITA-MRVPVSSYSA-N 305.298 -0.157 30 20 DBED C#CCN(CC(=O)O)c1nnc([C@H]2C[C@@H](O)CN2C)n1CC 1588426747 AZAOQYJCWUBXLR-GHMZBOCLSA-N 307.354 -0.440 30 20 DBED C#CCN(CCC(=O)NC(=O)NCC(F)(F)F)CC(=O)O 1588432196 CZOWWPRQCLCEPO-UHFFFAOYSA-N 309.244 -0.216 30 20 DBED C#CCOCCC(=O)NS(=O)(=O)c1cc(C(=O)O)co1 1588489758 MCYSSYLWVROAMW-UHFFFAOYSA-N 301.276 -0.177 30 20 DBED C#CCO[C@@H](C)C(=O)N(CCN1CCN(C)CC1)CC(=O)O 1588490414 MKAJPKDVNRLSOA-ZDUSSCGKSA-N 311.382 -0.815 30 20 DBED COCC#CCN[C@H](C)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 1591362780 XNGLMHMTKXAGFF-SNVBAGLBSA-N 317.353 -0.448 30 20 DBED N#CCOc1cccc(CNC(=O)N2CC(O)(C(=O)O)C2)c1 1601076126 VOBBSQNGENGVLG-UHFFFAOYSA-N 305.290 -0.070 30 20 DBED C#CCN1CCN(CCNC(=O)c2cc(C(N)=O)cs2)CC1 1752382131 TYWVPAVGDUBZTL-UHFFFAOYSA-N 320.418 -0.172 30 20 DBED COCC#CCN[C@@H](CNC(=O)c1nccnc1N)C1CC1 1752450968 PTLZPKWJMMWPFN-LBPRGKRZSA-N 303.366 -0.193 30 20 DBED C#CCNC(=O)CNC1CCC(NC(=O)c2ncn(C)n2)CC1 1752848537 QWYIVIMDKPWTJG-UHFFFAOYSA-N 318.381 -0.805 30 20 DBED COCC#CCN1CC(NC(=O)[C@H]2CCC[C@H](C(N)=O)C2)C1 1753389761 POQOUZPBYCLMQO-STQMWFEESA-N 307.394 -0.272 30 20 DBED C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)NS(C)(=O)=O 1753425208 PXMCMDAOMYYJQF-SRVKXCTJSA-N 301.412 -0.215 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@H](C)CNC(=O)c1cccc(O)n1 1753608928 SYBYCGJKKSORPI-RYUDHWBXSA-N 318.377 -0.119 30 20 DBED C#CCNC(=O)CN(C)CCN(C)C(=O)[C@@H](C)Cc1cnc[nH]1 1753865088 HFLHLHBTDQYZMV-ZDUSSCGKSA-N 319.409 -0.272 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](O)CNCCn1cncn1 1753931277 QVEFTDTXRWVJON-IHRRRGAJSA-N 323.397 -0.674 30 20 DBED CNC(=O)Nc1cccc(C(=O)NC[C@@H](O)CNCC#N)c1 1753934817 XNYYIBDWOGLESG-LBPRGKRZSA-N 305.338 -0.358 30 20 DBED CC#CCNC[C@H](C)NC(=O)c1ccc(=O)n(CCOC)n1 1754275432 YTSDNSJBKZVJOL-LBPRGKRZSA-N 306.366 -0.379 30 20 DBED C[C@@H](CNCC(=O)NCC#N)NC(=O)c1ccnc(C2CC2)n1 1754285798 MBJVPPMZZAAGJE-JTQLQIEISA-N 316.365 -0.298 30 20 DBED C=CCNC[C@H]1CC[C@H](NC(=O)CNC(=O)CNC(C)=O)CC1 1754953858 OOMONAGFDLOUNH-HDJSIYSDSA-N 324.425 -0.311 30 20 DBED C#CCCN[C@H](C)[C@@H](C)NC(=O)c1cn(C)c(=O)n(C)c1=O 1755256948 PXVBMQIAPUXGRE-GHMZBOCLSA-N 306.366 -0.796 30 20 DBED C#CCNC(=O)CN1CC([C@H](C)NC(=O)c2cnn(CC)n2)C1 1755375598 ZZWFXAGUXJXQEZ-NSHDSACASA-N 318.381 -0.903 30 20 DBED CC#CCN1C[C@H](NC(=O)CCn2ncn(C)c2=O)C(C)(C)C1 1755410121 LOWUGUYZTNKWCT-ZDUSSCGKSA-N 319.409 -0.178 30 20 DBED C=C(C)CN[C@@H](CO)CNC(=O)c1cnc2c(c1)nnn2C 1755632481 FUXCMATYWOWZPZ-LLVKDONJSA-N 304.354 -0.380 30 20 DBED CC#CCNC[C@H](O)CN(C)C(=O)c1c(C)c(C)nn(C)c1=O 1755784832 SGFVIDFUEMDPGC-ZDUSSCGKSA-N 320.393 -0.557 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)CN(C)C(=O)c1cocn1 1756437993 HDLDJLWWADMSFH-SNVBAGLBSA-N 306.322 -0.609 30 20 DBED C=CCO[C@H](C)C(=O)N[C@H](CO)CNC(=O)c1cnns1 1756506976 YSEUIBDIXOCSJS-BDAKNGLRSA-N 314.367 -0.664 30 20 DBED NC(=O)C(=O)NC1(C2CCN(C(=O)C#CC3CC3)CC2)CC1 1756752130 HPKSICRHPUWDRW-UHFFFAOYSA-N 303.362 -0.228 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(C(=O)C#CC(C)C)C[C@H]1O 1756997055 DQCXVGBHYSUOJS-ZIAGYGMSSA-N 306.362 -0.626 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC[C@](O)(C(=O)O)C1 1776215367 PJDMRXZGYZCXKZ-GXSJLCMTSA-N 305.356 -0.766 30 20 DBED N#CCC(=O)N1CCO[C@]2(CCN(C(=O)c3ncon3)C2)C1 1779868016 WJQYPBAYTLXBOA-CYBMUJFWSA-N 305.294 -0.573 30 20 DBED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)C(C)C)[C@H]2C1 1784187806 KUQBTVPQWXKYAQ-ABHRYQDASA-N 308.378 -0.384 30 20 DBED N#CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncccn1)C2 1795078269 ZAAFUHRMVWOFMH-PTEHBNRSSA-N 315.333 -0.407 30 20 DBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)C(C)C)C2)C1 1839806672 VLZPBERJPNHTCH-ZBFHGGJFSA-N 324.377 -0.907 30 20 DBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)C3(F)CC3)C2)C1 1839810463 YIOZFWMCHCBHOO-AWEZNQCLSA-N 310.325 -0.422 30 20 DBED CC(C)(C#N)C(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 49218779 FSDKCPORDMXSPP-SECBINFHSA-N 301.368 -0.654 30 20 DBED N/C(=N/CCNS(=O)(=O)c1cccs1)N1CCOCC1 160490200 GOCLDBNUUZFFBC-UHFFFAOYSA-N 318.424 -0.327 30 20 DBED N#Cc1cc(N2CCN3C(=O)C(=O)NC[C@H]3C2)ccc1[N+](=O)[O-] 167039720 URNMHUVJBPPYOT-NSHDSACASA-N 315.289 -0.387 30 20 DBED CCN(CC(N)=O)CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 191734909 IBFDJXAYTOXVGA-CYBMUJFWSA-N 309.414 -0.514 30 20 DBED C=CCNC(=O)CN1CCN(S(=O)(=O)NC(C)C)CC1 272199339 OESPEKSMLXYXQH-UHFFFAOYSA-N 304.416 -0.851 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@H](COC)C2CC2)C1=O 288144921 MBKRCCKFGLONHN-CHWSQXEVSA-N 323.393 -0.227 30 20 DBED CN1CCOC[C@@H]1/C(O)=N/CCN1CCS(=O)(=O)CC1 328956025 OXWVANKUXCKHNG-LLVKDONJSA-N 305.400 -0.996 30 20 DBED C[C@H](O)CC/N=C(/O)NCC1CCN(S(C)(=O)=O)CC1 330422497 HTEVRCGSVNVBED-JTQLQIEISA-N 307.416 -0.068 30 20 DBED CCOC(=O)CN(C(C)C)S(=O)(=O)N1CCO[C@@H](C#N)C1 336913763 LFMYONYKFMPBPQ-NSHDSACASA-N 319.383 -0.271 30 20 DBED CCN(CCC#N)S(=O)(=O)N[C@@]1(CC(=O)OC)CCOC1 336933511 DFIOAGPCDMACLE-GFCCVEGCSA-N 319.383 -0.221 30 20 DBED COC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(C#N)o1 344515140 MWABEAPYJWYZEP-CBAPKCEASA-N 300.292 -0.552 30 20 DBED COC(=O)CN(CC#N)C(=O)c1ccc(OCC(N)=O)cc1 348798946 MEUPTOGIJVHDIY-UHFFFAOYSA-N 305.290 -0.311 30 20 DBED N#CCNC(=O)CNC(=O)N1CCN(C(=O)c2ccco2)CC1 358281789 WCNXJXCDXREXNW-UHFFFAOYSA-N 319.321 -0.613 30 20 DBED C=CCOC[C@H](NC(=O)[C@H](C)CS(C)(=O)=O)C(=O)OC 360739826 TWRWHYWYVFLVQI-ZJUUUORDSA-N 307.368 -0.473 30 20 DBED C#CCNC(=O)CCNCCN1CCN(c2ncccn2)CC1 491632342 OUEPLVPPZZYRSQ-UHFFFAOYSA-N 316.409 -0.672 30 20 DBED C#CCN1CCN(C(=O)CN(CC(F)F)C[C@@H](C)O)CC1 491723599 CRFNVLFQVISFEM-GFCCVEGCSA-N 303.353 -0.288 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCCN(C(=O)CNC(C)=O)CC1 529911991 HDIOALJBZNAONC-KGLIPLIRSA-N 323.393 -0.226 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(C)CC(C)(C)OC)C1=O 531573781 DDZHYTYYLNNXGF-UHFFFAOYSA-N 311.338 -0.153 30 20 DBED Cn1c(N2CCC(O)(C(F)F)CC2)c(C#N)c(=O)n(C)c1=O 548286639 ISUAWCIDLJEYQZ-UHFFFAOYSA-N 314.292 -0.448 30 20 DBED N#Cc1ccncc1N1CCN(CCN2C(=O)CNC2=O)CC1 563827475 UCSKJNQCGJNUPZ-UHFFFAOYSA-N 314.349 -0.373 30 20 DBED CNS(=O)(=O)[C@@H]1CCN(c2ccc(C(=O)OC)nc2C#N)C1 577125146 XOJAXTYTQLYKPO-SECBINFHSA-N 324.362 -0.132 30 20 DBED CCN(C[C@H](C)C#N)C(=O)CN1C[C@@H](O)C[C@@H](C(=O)OC)C1 592194981 GLFHMZNENAGZTP-UPJWGTAASA-N 311.382 -0.150 30 20 DBED N#CCc1ccc(OC[C@H](O)CN[C@@]2(C(N)=O)CCOC2)cc1 594035404 LOGCFHDKRHEDAB-CJNGLKHVSA-N 319.361 -0.274 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCN(C)C[C@H]1CO 601469008 ISCGUWLOMGTIOR-RYUDHWBXSA-N 304.416 -0.679 30 20 DBED N#CCN1CCN(C(=O)Cc2ccc(S(N)(=O)=O)cc2)CC1 610112762 KJUNWEMAAZTCIR-UHFFFAOYSA-N 322.390 -0.456 30 20 DBED C=CCn1cc(C(=O)N[C@@H](CC)CNS(C)(=O)=O)nn1 648406914 FUNAGMOSMATWJM-VIFPVBQESA-N 301.372 -0.478 30 20 DBED CCOC(=O)CON=C(C(=O)N1C[C@@H](O)C[C@@H]1C)c1cc[nH]n1 772636795 VYNVHVHHAAOSOQ-UWVGGRQHSA-N 324.337 -0.325 30 20 DBED C=CCS(=O)(=O)NC(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O 772713367 OTMXWJCVLJZUNJ-AOOOYVTPSA-N 314.363 -0.206 30 20 DBED C#C[C@@H](NC(=O)c1cn(CC(=O)N(C)C)nn1)[C@H]1CCCO1 772886617 RDDYYBJJWBZELP-ZYHUDNBSSA-N 305.338 -0.723 30 20 DBED C#CCC[C@@H](O)CNC(=O)[C@@H]1CCCN1C(=O)CNC(C)=O 799079040 NIRSVOMLTYABHJ-OLZOCXBDSA-N 309.366 -0.996 30 20 DBED CC#CCS(=O)(=O)NC(=O)c1cn(Cc2noc(C)n2)nn1 810777989 TWXGWTFPSHFUTO-UHFFFAOYSA-N 324.322 -0.899 30 20 DBED C#CCONC(=O)c1ccc(S(=O)(=O)CC(=O)N(C)C)cc1 812784155 YLUGTKSABZWXER-UHFFFAOYSA-N 324.358 -0.157 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCOC[C@H]1CC(=O)O 844790685 ATSHROIZTCNBID-GHMZBOCLSA-N 319.383 -0.112 30 20 DBED C#CCNS(=O)(=O)N1CCN(C[C@H]2COC(C)(C)O2)CC1 851873563 DSASPNDPGSBWSR-LBPRGKRZSA-N 317.411 -0.777 30 20 DBED C#CCOCCNC(=O)N1CCN(S(=O)(=O)C2CC2)CC1 858357619 UUVCZWODUWQZAR-UHFFFAOYSA-N 315.395 -0.544 30 20 DBED C=CCN1CCC2(CC1)CN(C(=O)[C@H]1COC(=O)N1)CCO2 949083979 VIKGKSHAPQTELR-GFCCVEGCSA-N 309.366 -0.026 30 20 DBED COc1c[nH]c(C(=O)NC[C@@H]2CCN2C(=O)[C@H](C)C#N)cc1=O 951079573 APFYKEAKUCZQRQ-ZJUUUORDSA-N 318.333 -0.126 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CN(C(=O)c2[nH]nnc2C)C1 955367626 URNYZQXYQMEPRK-NEPJUHHUSA-N 319.365 -0.013 30 20 DBED N#Cc1ccccc1CN1C[C@H]2[C@H](NC(=O)Cn3cnnn3)[C@H]2C1 958180778 CUSAWGWNORDHQN-FOLVSLTJSA-N 323.360 -0.209 30 20 DBED C=CCN1C[C@H](O)[C@H](CNC(=O)c2ccc3nnc(O)n3c2)C1 958476699 OHEYXMOKBNXSOU-NEPJUHHUSA-N 317.349 -0.357 30 20 DBED Cc1nc[nH]c1C(=O)N1CCO[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]21 960608040 HFVKMMCJDGZFDU-ADEWGFFLSA-N 317.349 -0.070 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1[C@H]2CN(CC(=O)NC)C[C@H]12 962019314 UIUPKEXFSCVBMO-ASHKBJFXSA-N 307.394 -0.240 30 20 DBED O=C1CC[C@H](C(=O)NC[C@H]2COCCN2C(=O)C#CC2CC2)N1 964132071 GCAXIXQZFOFKBU-QWHCGFSZSA-N 319.361 -0.978 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H](NCc2nnnn2C)C1 968716682 DZYKSTMBKJQGEQ-UPJWGTAASA-N 320.397 -0.118 30 20 DBED Cc1cc(CC(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)n(C)n1 968839041 WZRUEUXVMGCWFY-WQAKAFBOSA-N 319.365 -0.881 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](N(C)CC(=O)N2CCOCC2)C1 971222528 ZAKSJOWLRILYMT-QWHCGFSZSA-N 308.382 -0.462 30 20 DBED C=CCN1C[C@H]2CC[C@H]1CN2C(=O)Cn1cnc(C(N)=O)n1 971397597 KAZCHXBIHQHJMX-WDEREUQCSA-N 304.354 -0.762 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)C(C)(C)C(N)=O)C[C@]2(C)C1 993039409 WONCHXRDMMQKAQ-UVWXRNBGSA-N 320.393 -0.036 30 20 DBED O=C(NCC1CN(C(=O)C#CC2CC2)C1)c1c[nH]c(=O)cn1 1003914752 RDOLPISFSDTHFF-UHFFFAOYSA-N 300.318 -0.629 30 20 DBED C[C@H](C#N)C(=O)N1CCCCC[C@@H]1CNC(=O)c1nnn(C)n1 1005496787 HZWMKWVEGFKIPV-GHMZBOCLSA-N 319.369 -0.129 30 20 DBED C=CCN1CC[C@H](N[C@H]2CCN(C(=O)[C@H]3CCC(=O)N3)C2)C1=O 1018624679 MWAOFPUWTDJGJN-XQQFMLRXSA-N 320.393 -0.758 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](NCc2nnn(C)n2)C1 1019498654 LRPMPOZBTBWGDO-OBJOEFQTSA-N 320.397 -0.118 30 20 DBED C=CCN1CC[C@@H](N2[C@H]3CC[C@H]2CC(NC(=O)C(N)=O)C3)C1=O 1021366203 RQTRDSYUBORUIM-RWMBFGLXSA-N 320.393 -0.630 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H]2C[C@@H](N[C@@H]3CCC(=O)NC3=O)C2)c1 1021946169 ILFCXDCVKKFXQV-OUAUKWLOSA-N 315.333 -0.458 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)CSC)C[C@H]2O)nc1 1024921464 GZZJMLNVXLNXFI-CHWSQXEVSA-N 319.386 -0.273 30 20 DBED CC(=O)N1CCOC[C@@H]1C(=O)N1CCC[C@H](N(C)CC#N)C1 1027688153 DBSZADFNDJRXGX-UONOGXRCSA-N 308.382 -0.320 30 20 DBED C#CCN1CC[C@@H](CNC(=O)[C@H]2CCc3nnnn3CC2)C1 1028816811 LMVIARBETSPHTB-STQMWFEESA-N 302.382 -0.303 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)c3cnn(C)c3C)C2)C1=O 1030106546 CSDLUFLNZURVSD-AWEZNQCLSA-N 317.393 -0.071 30 20 DBED N#CCN1CCO[C@@H](CNC(=O)[C@H]2CCc3nccn3C2)C1 1035421021 SUAHAHBIOYBWBS-STQMWFEESA-N 303.366 -0.214 30 20 DBED CC[C@@H]1CN(C(=O)CN2CCN(C)C(=O)C2)CC[C@H]1NCC#N 1037868780 JTBBSBBCYOKZAE-ZIAGYGMSSA-N 321.425 -0.499 30 20 DBED CC(C)C#CC(=O)NC[C@@]1(O)CCN(C(=O)[C@H]2COCCO2)C1 1039664385 PDMQMKOJNIQMHO-CJNGLKHVSA-N 324.377 -0.859 30 20 DBED C#CCN1[C@H]2CCC[C@H]1CN(C(=O)c1nccnc1C(N)=O)C2 1039997225 CXPVVPDTBIOJRA-RYUDHWBXSA-N 313.361 -0.112 30 20 DBED C#CCCCC(=O)N1CC[C@@](O)(CNC(=O)c2cnn[nH]2)C1 1040265613 NSCLGIOSZLHXBW-CQSZACIVSA-N 305.338 -0.699 30 20 DBED C=C(C)CCC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2CNC(=O)N2)C1 1040723533 JVZTTWPVCIBUBF-XHDPSFHLSA-N 324.381 -0.896 30 20 DBED N#Cc1cnc(N2C[C@@H](O)[C@H](NC(=O)Cc3cnoc3)C2)cn1 1041294394 HZZNLZRBIYSTMA-VXGBXAGGSA-N 314.305 -0.755 30 20 DBED Cc1cnn(CC(=O)NCC2(O)CN(C(=O)[C@@H](C)C#N)C2)c1 1041776298 QGQZSKCXIYPWJS-NSHDSACASA-N 305.338 -0.959 30 20 DBED C#CCN1CC[C@H]2CCN(C(=O)c3cc(=O)n(C)cn3)C[C@H]21 1042099415 BOHYAGCRZUOSLB-GXTWGEPZSA-N 300.362 -0.050 30 20 DBED CSCC(=O)N1CC(O)(CNC(=O)c2c[nH]c(C#N)c2)C1 1042666790 MQFNVXFZBPTBFE-UHFFFAOYSA-N 308.363 -0.448 30 20 DBED C=CCCCC(=O)N1CC(O)(CNC(=O)c2cn(C)nn2)C1 1042886702 ISKBVESHIKGCTG-UHFFFAOYSA-N 307.354 -0.526 30 20 DBED N#Cc1cnc(N2C[C@H](O)[C@H](NC(=O)[C@H]3C[C@@H]3C(F)F)C2)cn1 1043922995 KYTKNYGDGHJYPC-MMWGEVLESA-N 323.303 -0.085 30 20 DBED Cn1cncc1C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1044288605 AVVKIJOKWNPPCK-PWSUYJOCSA-N 313.321 -0.939 30 20 DBED C#CCN[C@@H]1CCN(C(=O)c2cn(C)c(=O)nc2O)[C@@H](C)C1 1044860350 IQRDOEKZQXTCTQ-WDEREUQCSA-N 304.350 -0.298 30 20 DBED C[C@]1(C(=O)NCC2(O)CN(C(=O)C#CC3CC3)C2)CCCOC1 1045361775 DZYZFDJIPPLRRF-INIZCTEOSA-N 320.389 -0.094 30 20 DBED CCCNC(=O)CCC(=O)N1CC(O)(CNC(=O)[C@@H](C)C#N)C1 1045545734 BEZCMVIUFYIPLH-NSHDSACASA-N 324.381 -0.858 30 20 DBED C[C@]1(NC(=O)c2coc(S(N)(=O)=O)c2)CCN(CC#N)C1 1046427009 STHILZBWQPLDRE-LBPRGKRZSA-N 312.351 -0.355 30 20 DBED C=CCn1cc(C(=O)N(C)[C@H]2CN([C@@H](C)COC)C[C@@H]2O)nn1 1047553901 CUQIQGVACKYDPE-UBHSHLNASA-N 323.397 -0.384 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CSC)C1 1048166711 OCYAPUSIKOSEPG-QWRGUYRKSA-N 302.396 -0.418 30 20 DBED C=C[C@](C)(O)CC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2C[C@H]2C)C[C@@H]1O 1048761891 JQGGKUPUQKIUJN-WSGDXGOYSA-N 310.394 0.000 30 20 DBED CCn1ncc(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)C#N)C2)n1 1049393701 DEODHADKAYHRPJ-USWWRNFRSA-N 320.353 -0.899 30 20 DBED N#Cc1ccc(C(=O)N2CCC[C@H]3CN(CC(N)=O)C[C@H]32)[nH]1 1050025195 SFNWIWFTJZCEGU-GXFFZTMASA-N 301.350 -0.092 30 20 DBED C=CCCC(=O)N[C@@H](C)[C@@H]1CCN(C(=O)Cn2ncnn2)C1 1050807644 HKDRUEJRAQCOOK-NWDGAFQWSA-N 306.370 -0.008 30 20 DBED Cc1cnc2nc(C(=O)NC[C@@H]3COCCN3CC#N)nn2c1 1050973711 JECJMLBNAXEMPD-LLVKDONJSA-N 315.337 -0.613 30 20 DBED C#CCOc1ncccc1C(=O)NC[C@@H]1COCCN1CCO 1051216845 MXIBIDINTVTDPL-CYBMUJFWSA-N 319.361 -0.484 30 20 DBED C[C@]12CN(C(=O)CC(N)=O)C[C@H]1CN(c1nccnc1C#N)C2 1052268589 QPHYJXXHTCOJRK-ZUZCIYMTSA-N 314.349 -0.492 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)[C@@]3(C)CCC(=O)NC3)CO2)C1 1053902041 TXCYAQQYWGAGRZ-DOMZBBRYSA-N 305.378 -0.505 30 20 DBED C[C@]1(C(=O)N[C@@H]2COC3(C2)CN(CC#N)C3)CCC(=O)NC1 1053903655 WGZBUBMONJOABU-FZMZJTMJSA-N 306.366 -0.614 30 20 DBED CCn1nc(C(=O)N[C@@H]2COC3(C2)CN(CC#N)C3)ccc1=O 1053959656 DIGMTPROMZBWFY-NSHDSACASA-N 317.349 -0.640 30 20 DBED C[C@@H]1CN(C(=O)CN2CCCCS2(=O)=O)C[C@@H]1NCC#N 1054912358 RUZIZNBNLDRSAI-NEPJUHHUSA-N 314.411 -0.628 30 20 DBED C=CCOCC(=O)N1CCC[C@H]2CN(C(=O)CC(=O)NC)C[C@H]21 1056629634 PKTJMSAMYLMXHQ-QWHCGFSZSA-N 323.393 -0.226 30 20 DBED C=C[C@H](CC)CC(=O)NCCN(CCO)C(=O)CNC(N)=O 1056919243 MJUVTJKAMPGAJM-LLVKDONJSA-N 314.386 -0.806 30 20 DBED N#Cc1nc(=NC2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)cc[nH]1 1057426620 BFLIIQNAGPKEMT-MNOVXSKESA-N 314.349 -0.706 30 20 DBED Cc1cc(CC(=O)NCCN(CCO)C(=O)C#CC2CC2)no1 1057531530 SKJHPMYAIPKOQP-UHFFFAOYSA-N 319.361 -0.124 30 20 DBED C=CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)[C@H](C)OC 1057922226 ZQOZEVFMBHYCNK-RYUDHWBXSA-N 302.371 -0.451 30 20 DBED C#Cc1ccc(C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N)nc1 1058238837 TYMZRNXVNPZUIT-LBPRGKRZSA-N 314.345 -0.227 30 20 DBED Cc1nnsc1C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N 1058653413 VBRUDVCLRBBGLQ-QMMMGPOBSA-N 311.367 -0.443 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)C1(N(C)C)CCC1 1058657414 YTZOKCKCEPQGPT-GFCCVEGCSA-N 310.398 -0.433 30 20 DBED CC(=O)NCC(=O)N1CC[C@@H](CCNC(=O)C#CC2CC2)C1 1059051170 YYLHXNQPEHLZPT-CQSZACIVSA-N 305.378 -0.109 30 20 DBED Cc1cc(C#N)nc(NC2CCC(NC(=O)C(N)=O)CC2)n1 1060617999 VCEQMLVEZLUHIO-UHFFFAOYSA-N 302.338 -0.019 30 20 DBED N#Cc1ccc(NC[C@H]2CCN(C(=O)Cn3nccn3)C2)nn1 1060925549 QGSCAQMOVFBSAB-LLVKDONJSA-N 312.337 -0.100 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H]1COCCN1C(=O)CC(C)C 1061514650 DEIZGYFTCQZURV-CYBMUJFWSA-N 323.393 -0.484 30 20 DBED CN1CCC[C@@H]1C(=O)N1CCOC[C@H]1CNC(=O)C#CC1CC1 1061569675 JNZLAYLKXXHKBI-HUUCEWRRSA-N 319.405 -0.162 30 20 DBED Cn1nncc1C(=O)NC[C@H]1CCN(c2nccnc2C#N)C1 1061592120 MELXFANBMSPGGH-SNVBAGLBSA-N 312.337 -0.267 30 20 DBED N#Cc1cnccc1N1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCNC1=O 1062556293 XUINQDGXKADKIB-AVGNSLFASA-N 311.345 -0.121 30 20 DBED C=CCOCC(=O)NCC1(NC(=O)[C@@H]2CCCNC2=O)CCC1 1062703648 KSQFAFSIVPAWMK-GFCCVEGCSA-N 323.393 -0.130 30 20 DBED N#Cc1nccnc1N1CCO[C@@H](CNC(=O)c2cnn[nH]2)C1 1063673424 LQNSXYSFLAYJNH-VIFPVBQESA-N 314.309 -0.898 30 20 DBED Cn1nncc1C(=O)N[C@@H]1[C@H]2C[C@H]1N(c1cnc(C#N)cn1)C2 1064251088 QWBIVBGHNDXFCA-IYYTYJHQSA-N 310.321 -0.516 30 20 DBED C#CCOCCC(=O)NC1(CNC(=O)[C@H]2C[C@H]2C(N)=O)CCC1 1064562706 KWWNBIQVISEASS-NEPJUHHUSA-N 321.377 -0.697 30 20 DBED N#Cc1ccc(N2CC[C@@]3(CCN(C(=O)C(N)=O)C3)C2)nn1 1064640309 FIMLVDQNYUPBKD-CQSZACIVSA-N 300.322 -0.738 30 20 DBED N#Cc1ccc(N2CC[C@@H]3CCN(C(=O)CC(N)=O)C[C@H]32)nn1 1064674574 IAHYEOBWYLXKNE-CMPLNLGQSA-N 314.349 -0.349 30 20 DBED O=C(Cc1cc[nH]n1)NC[C@H]1CN(C(=O)C#CC2CC2)CCO1 1065134090 DMUBFJFZSXAEEZ-AWEZNQCLSA-N 316.361 -0.291 30 20 DBED C#CCOCCC(=O)N1CCO[C@H](CNC(=O)c2cocn2)C1 1065150689 TUCDXHQJQJBEPG-GFCCVEGCSA-N 321.333 -0.328 30 20 DBED N#Cc1nccnc1N1CCOC[C@H]1CNC(=O)c1cocn1 1066470258 LRYOSXKUBGPSHG-SNVBAGLBSA-N 314.305 -0.029 30 20 DBED N#Cc1cncc(N2C[C@H](O)[C@H](CNC(=O)c3cccnc3)C2)n1 1067642612 GXHHSFBYONSSFZ-OCCSQVGLSA-N 324.344 -0.030 30 20 DBED N#Cc1cncc(N2C[C@@H](O)[C@H](CNC(=O)c3cnco3)C2)n1 1067689166 RFCCIOZTFYBOIZ-MWLCHTKSSA-N 314.305 -0.437 30 20 DBED C=CCCC(=O)N1CC2(CN(C(=O)CC(=O)NC)CCO2)C1 1068386491 QMVWRKUQOYSIMU-UHFFFAOYSA-N 309.366 -0.472 30 20 DBED C=C(C)CCC(=O)N1CCOC2(C1)CN(C(=O)CC(=O)NC)C2 1068403734 UYZDBXFFJIKWGY-UHFFFAOYSA-N 323.393 -0.081 30 20 DBED C[C@@H]1C[C@H]1C(=O)NCc1nc([C@H]2COCCN2CC#N)n[nH]1 1070587952 KKEMOCIUFYHCIX-GMTAPVOTSA-N 304.354 -0.026 30 20 DBED CC(=O)N1CC(C(=O)N2C[C@H](C)[C@H](NC(=O)C#CC3CC3)C2)C1 1071977835 GBMMSUDHGUNIAZ-XHDPSFHLSA-N 317.389 -0.159 30 20 DBED CC#CCN1C[C@H](NC(=O)CN2CC(=O)N(C)C2=O)CC[C@H]1C 1071990367 YYOYWUIELRWMBX-CHWSQXEVSA-N 320.393 -0.127 30 20 DBED C[C@H]1CC[C@H](NC(=O)CN2C(=O)CN(C)C2=O)CN1CC#N 1072055694 XNYHUEMNOUCUBY-QWRGUYRKSA-N 307.354 -0.627 30 20 DBED COC[C@@H](C)C(=O)N1CC(N2CCN(C(=O)[C@H](C)C#N)CC2)C1 1073596658 BXELFVAWZCLSJO-CHWSQXEVSA-N 322.409 -0.216 30 20 DBED C=CCOCC(=O)N1CC[C@H](NC(=O)CNC(N)=O)[C@H](C)C1 1073705064 PZRLYJWVDFZIOQ-MNOVXSKESA-N 312.370 -0.790 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)CCn3cncn3)C[C@H]21 1074170024 HNBUHWQGNHZCDE-ZIAGYGMSSA-N 303.366 -0.397 30 20 DBED N#CCN1CCO[C@@H]2CCN(C(=O)CN3CCCCC3=O)C[C@@H]21 1074284743 RLLGNJZQOWHJSU-UONOGXRCSA-N 320.393 -0.176 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)CN3CCCNC3=O)C[C@H]21 1074284996 UNPIQONUKGYFLP-ZIAGYGMSSA-N 320.393 -0.663 30 20 DBED C=CCOCC(=O)N[C@@H](C)CCNC(=O)CCn1ccnn1 1076283111 SBHXKDMSWKOJND-LBPRGKRZSA-N 309.370 -0.118 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)c2ccn(CCN(C)C)n2)C1 1077014364 SHLIVHFHOFDCET-HUUCEWRRSA-N 321.425 -0.204 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCS(=O)(=O)C2)C1 1077332180 RJRNEDDCQPRXSD-GMTAPVOTSA-N 322.814 -0.665 30 20 DBED Cn1cc(C(=O)N[C@@H]2CN(CC#N)C[C@H]2O)c(C(F)(F)F)n1 1077746045 DDUCJLJWXKECHU-RKDXNWHRSA-N 317.271 -0.263 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)c2cncc(C(N)=O)c2)C1 1078193406 PUBFLEGOKWFRPX-VXGBXAGGSA-N 324.768 -0.292 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3c[nH]nc3C2)C1 1078208722 VZYXMAXPYCZDIU-NILFDRSVSA-N 302.378 -0.301 30 20 DBED C=CCC(C)(C)C(=O)N1CCC(CO)(NC(=O)C(N)=O)CC1 1080977270 CSSZZPPROZJKSE-UHFFFAOYSA-N 311.382 -0.456 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(C(=O)C2(C)CC2)C[C@@H]1O 1081489606 WYXPNEVWTAQEBE-OLZOCXBDSA-N 308.378 -0.238 30 20 DBED C=C(Cl)CN1C[C@@H](NC(=O)CN2CCOCC2)[C@H](OC)C1 1081546307 HJWXYTFMIWZQNU-CHWSQXEVSA-N 317.817 -0.114 30 20 DBED C=C(C)CN1C[C@@H](NC(=O)Cn2nc(C)ccc2=O)[C@H](OC)C1 1082337042 XLMOQTNGRLBYRU-ZIAGYGMSSA-N 320.393 -0.057 30 20 DBED Cc1cc(C)c(CC(=O)N[C@@H]2CN(CC#N)C[C@@H]2O)c(O)n1 1083721150 NCUKQONASSBSMK-OLZOCXBDSA-N 304.350 -0.369 30 20 DBED CC(C)OCC(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1O 1090379319 KSSFLKVNAFKZDL-VXGBXAGGSA-N 305.338 -0.561 30 20 DBED COCC[C@@H](C)C(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1O 1090429337 ZYZFEAIHTYFOPK-RAIGVLPGSA-N 319.365 -0.313 30 20 DBED N#CCN1CC[C@H](NC(=O)c2ccc3nc(O)[nH]c3n2)[C@@H](O)C1 1090522542 JPKJJLCKSSDIAG-KWQFWETISA-N 316.321 -0.648 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2cnc(O)cc2OC)[C@H](O)C1 1090578824 YYGMXRHAJVVLMY-CHWSQXEVSA-N 319.361 -0.016 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2ccc(CNC(C)=O)o2)[C@@H](O)C1 1090646927 MJRIVTBIHRYJSC-KGLIPLIRSA-N 319.361 -0.286 30 20 DBED Cc1cc(N2C[C@H](O)[C@H](NC(=O)[C@H](O)C(C)C)C2)c(C#N)cn1 1091091737 OCCYJVPXWGJHOO-VHDGCEQUSA-N 318.377 -0.056 30 20 DBED C[C@@H](CC(N)=O)C(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@@H]1O 1091174596 MPMMINKOHSYRJE-BIMULSAOSA-N 317.349 -0.870 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1C[C@H](CNC(=O)CCNC(N)=O)C1 1091457441 FLXBDQHSAVTEEI-UMSPYCQHSA-N 316.365 -0.260 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CN(Cc3nnnn3C)C[C@@]2(C)C1 1091544937 IKCQTRNMXSOERA-WDMOLILDSA-N 303.370 -0.350 30 20 DBED N#Cc1cccnc1N1C[C@H]2[C@H](NC(=O)CCNC(N)=O)[C@H]2C1 1093266733 CDJLPAZFKXJFLV-PJXYFTJBSA-N 314.349 -0.438 30 20 DBED Cn1nccc1COCC(=O)NCCNc1nccnc1C#N 1093945127 QJBKOUROSHBTJM-UHFFFAOYSA-N 315.337 -0.173 30 20 DBED C=C(C)CN1CC(n2cc(CNC(=O)[C@H]3CNC(=O)N3)nn2)C1 1094314946 FINNVYOAYQUQRI-GFCCVEGCSA-N 319.369 -0.992 30 20 DBED C#CCN1CCN(C(=O)C(C)(C)F)[C@@H]2CS(=O)(=O)C[C@@H]21 1094598482 JYFRPWWEENJVJB-WDEREUQCSA-N 302.371 -0.323 30 20 DBED Cc1cc(C(=O)N[C@H]2CC(=O)N(C3CN(CC#N)C3)C2)ns1 1094731897 SZVYPRRNQWVEGN-JTQLQIEISA-N 319.390 -0.010 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)c3[nH]c(O)nc3C)CC2=O)C1 1094746955 FHYVBUNINVUVLJ-JTQLQIEISA-N 317.349 -0.928 30 20 DBED Cn1cc(C(=O)N2C[C@H]3C[C@@H](NCC#N)C[C@H]2C3)n(C)c1=O 1095065086 VGOAWADFMRSSMR-QJPTWQEYSA-N 303.366 -0.170 30 20 DBED C[C@@H](CNC(=O)CN1CCOCC1)Nc1ccc(C#N)nn1 1097785058 ZSZMQOSQLNWZOC-NSHDSACASA-N 304.354 -0.403 30 20 DBED C=CCNCc1cn([C@@H]2CCN(C(=O)[C@@H]3CCNC3=O)C2)nn1 1098698060 PDGOYBGDEDPCCP-CHWSQXEVSA-N 318.381 -0.537 30 20 DBED N#Cc1ccc(C(=O)N[C@]23CCC[C@H]2CN(CC(N)=O)C3)[nH]1 1098794867 YQYKMKVJCJZZCG-BONVTDFDSA-N 301.350 -0.044 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2cc(C)[nH]n2)[C@H](O)C1 1099709012 AOWSYMACAIJSIG-TZMCWYRMSA-N 306.366 -0.467 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2ncoc2C)[C@@H](O)C1 1099713158 UDOMGZBPSAGDFC-STQMWFEESA-N 307.350 -0.202 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)CC2CCC2)[C@H](O)C1 1099754351 FQBHYQOTOYNHBW-UONOGXRCSA-N 307.394 -0.523 30 20 DBED C=CCOCCCC(=O)N[C@H]1CCN(CC(=O)NC)C[C@@H]1O 1099763798 KRNLCJNGGWIAGH-STQMWFEESA-N 313.398 -0.733 30 20 DBED CC#CCN1CC[C@H](NC(=O)CCc2nc(C)no2)[C@@H](O)C1 1099941562 CTDZGEINHGGFKX-STQMWFEESA-N 306.366 -0.115 30 20 DBED C=C[C@](C)(O)CC(=O)NCCN(C)c1ncnc2c1nnn2C 1100042512 CGQGZBXCPODBRV-AWEZNQCLSA-N 319.369 -0.362 30 20 DBED CN(CCNC(=O)CNC(=O)C1CCC1)c1nccnc1C#N 1100154675 ZGEAJSSSRPIRJI-UHFFFAOYSA-N 316.365 -0.183 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CC(CNC(=O)c2cnc(C)[nH]2)C1 1100190115 JVGOQVARPNCRIN-QFWMXSHPSA-N 317.393 -0.046 30 20 DBED C#CCNC(=O)CC(=O)NCC1CC(NCCn2cccn2)C1 1100262820 JEKOQWLOMXZGJW-UHFFFAOYSA-N 317.393 -0.493 30 20 DBED CN(CCNC(=O)[C@@]1(C)CCC(=O)NC1)c1ccnc(C#N)n1 1100286119 IYVFRBQFAYMHHU-HNNXBMFYSA-N 316.365 -0.183 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)CCCN(C)C)C1 1100619934 OXWPUHSVLQJIQF-UHFFFAOYSA-N 308.426 -0.438 30 20 DBED CNC(=O)NCC(=O)NC[C@H]1CCN(c2nccnc2C#N)C1 1101065755 DAZUOSVZFGTCTE-SNVBAGLBSA-N 317.353 -0.780 30 20 DBED COCC#CCN1C[C@@H](C)[C@H](CNC(=O)[C@@H](COC)OC)C1 1102344414 AAHRHSPIZLAANW-RBSFLKMASA-N 312.410 -0.018 30 20 DBED C=CCOCCN1C[C@@H](C)[C@H](CCNC(=O)Cn2cnnn2)C1 1102656625 IRYZGJPSPRKSCB-ZIAGYGMSSA-N 322.413 -0.050 30 20 DBED CCNC(=O)CCC(=O)NC[C@@H](CC)N=c1cc[nH]c(C#N)n1 1103038573 YWAPTMYOXPHHPW-LLVKDONJSA-N 318.381 -0.007 30 20 DBED C=CCNC(=O)CNCC[C@@H]1CN(C(=O)CC(=O)NC)C[C@H]1C 1104109436 JRASDOSTINZJJP-CHWSQXEVSA-N 324.425 -0.501 30 20 DBED C#CCNCC[C@@H]1CN(C(=O)CN2CCN(C)C(=O)C2)C[C@H]1C 1104367592 ZPAGBXBGUIDOSL-HUUCEWRRSA-N 320.437 -0.532 30 20 DBED C[C@@H](CC(N)=O)C(=O)N(C)[C@H](C)CN=c1cc[nH]c(C#N)n1 1104752592 QITDELBCCVMGOP-VHSXEESVSA-N 304.354 -0.460 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(n2cc(CNC[C@H](C)O)nn2)C1 1105227782 YRIXDSRDHBXJDL-XHDPSFHLSA-N 323.397 -0.541 30 20 DBED CN(CCN(C)c1ccnc(C#N)n1)C(=O)Cn1cncn1 1105403492 DJISTXMIQXOXBC-UHFFFAOYSA-N 300.326 -0.465 30 20 DBED COc1cc(C(=O)NC[C@H](O)CNc2ccc(C#N)nn2)on1 1105794297 CQSTYXCXOMVIBA-SECBINFHSA-N 318.293 -0.452 30 20 DBED CN(C)CCOCC(=O)NC[C@@H](O)CNc1ncccc1C#N 1105904768 XJMHRNQCLYBKND-CYBMUJFWSA-N 321.381 -0.580 30 20 DBED C#CCNC[C@@H]1CN(C(=O)CCNC(=O)[C@H]2CCCO2)C[C@H]1C 1107086570 ZGQSOWMHPDNKOM-RBSFLKMASA-N 321.421 -0.011 30 20 DBED C=CCOCC(=O)NCc1cn(C2CN([C@@H](C)COC)C2)nn1 1107146228 BJTNDGCIMYETCL-LBPRGKRZSA-N 323.397 -0.012 30 20 DBED C#CCN1CC(n2cc(CNC(=O)CN(CC)CC)nn2)C1 1107221095 GIEYMDFNBPKRNT-UHFFFAOYSA-N 304.398 -0.274 30 20 DBED C[C@]1(C(=O)NC/C=C/CNc2cnc(C#N)cn2)CNC(=O)C1 1107422673 UNFNOKCJJXLCIR-XYBNCVKDSA-N 314.349 -0.041 30 20 DBED C[C@]1(CNC(=O)C(N)=O)CN(Cc2ccc(C#N)s2)CCO1 1108176915 JKDBRLWIPKFJHS-AWEZNQCLSA-N 322.390 -0.188 30 20 DBED C[C@@H](CN=c1cc[nH]cc1C#N)NC(=O)Cn1cnnc1O 1108315920 TXOAPONPBUIQBZ-VIFPVBQESA-N 301.310 -0.711 30 20 DBED CC(=O)N1CC(C(=O)N[C@@H](C)CN(C)c2cncc(C#N)n2)C1 1108917544 HQWANRUMPNTFNC-JTQLQIEISA-N 316.365 -0.233 30 20 DBED N#Cc1cncc(NC[C@H](NC(=O)Cn2cncn2)C2CC2)n1 1109848911 WBNWSCOBIOYZGD-LBPRGKRZSA-N 312.337 -0.053 30 20 DBED C[C@H](NC(N)=O)C(=O)N[C@@]1(C)CCN(c2nccnc2C#N)C1 1110745239 GCAHKMBJFSLPFC-XPTSAGLGSA-N 317.353 -0.510 30 20 DBED CNC(=O)CC(=O)N1C[C@@H](C)[C@@H](CNc2cnc(C#N)cn2)C1 1111243593 LRPMOTQHAUVAHZ-MNOVXSKESA-N 316.365 -0.009 30 20 DBED CC(=O)N[C@@H](C)C(=O)N(CCO)CCNc1ccc(C#N)nn1 1111414021 SDPDLAKGJGZUBB-JTQLQIEISA-N 320.353 -0.894 30 20 DBED N#Cc1nccnc1NC1(CNC(=O)Cn2cnnn2)CCC1 1111754911 YHJOIQNQVKTFAU-UHFFFAOYSA-N 313.325 -0.514 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCC[C@]2(NC(=O)CCN(C)C)C1 1111861423 MJTHLOFJWNKNRL-YOEHRIQHSA-N 320.437 -0.342 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)c2ccc(C#C)cn2)CC1 1113559461 VBFNIYBDXFWDIL-CQSZACIVSA-N 324.384 -0.041 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)CN(C)C(C)C)CC1 1113688009 XBQIQVBJECWGIR-CQSZACIVSA-N 308.426 -0.391 30 20 DBED C[C@@H](CNC(=O)C[C@@H](C)NC(N)=O)N(C)c1ccnc(C#N)n1 1113720513 RNKPHUMOTLYBMB-ZJUUUORDSA-N 319.369 -0.264 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3nnn(C)c3C)[C@H]2C1 1114090646 HUNLAALFFQHNGE-YABSGUDNSA-N 318.381 -0.914 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@H]2CN(Cc3cnsn3)C[C@H]12 1114157168 AEDOYCRBXZCNMU-QWRGUYRKSA-N 319.390 -0.776 30 20 DBED C=CCOCCN1C[C@H]2C(NC(=O)CCNC(=O)NC)[C@@H]2C1 1114226653 QTVQBBGRLRZPPB-VXGBXAGGSA-N 310.398 -0.446 30 20 DBED O=C(C#CC1CC1)N[C@H]1[C@@H]2CN(CCN3C(=O)CCC3=O)C[C@@H]21 1114258614 WPOYKVLFALOTTP-LAQFHYBYSA-N 315.373 -0.405 30 20 DBED C#CCO[C@H](C)C(=O)NC1[C@@H]2CN(Cc3nonc3C)C[C@@H]12 1114271245 RPJKRHQEOPWCND-IJLUTSLNSA-N 304.350 -0.037 30 20 DBED CC1(C)CN(c2ccc(C#N)nn2)C[C@H]1NC(=O)CC(N)=O 1114427347 DVGDFHQUVXWPSA-SNVBAGLBSA-N 302.338 -0.445 30 20 DBED CNC(=O)CC(=O)NCC1[C@H]2CN(c3ccc(C#N)nc3)C[C@H]12 1114530399 KDFKQEYSMGFLCW-ZIAGYGMSSA-N 313.361 -0.112 30 20 DBED CC(=O)NCC(=O)N[C@H]1C[C@H](CN=c2cc[nH]c(C#N)n2)C1 1114733638 PRZDHWKBHLMTCQ-XYPYZODXSA-N 302.338 -0.787 30 20 DBED COCC#CCN1C[C@@H]2C(NC(=O)[C@H]3C[C@H]3C(=O)N(C)C)[C@H]2C1 1114835968 VDJOOSYNOCXHBM-CRWXNKLISA-N 319.405 -0.593 30 20 DBED C[C@H](CCCNc1cnc(C#N)cn1)NC(=O)[C@@H]1CNC(=O)N1 1115062530 VISABQKGZZGLKT-KOLCDFICSA-N 317.353 -0.274 30 20 DBED CNC(=O)NCC(=O)N[C@H](C)CCCN=c1cc[nH]c(C#N)n1 1115108722 QGZYMDMCBIHTPH-SNVBAGLBSA-N 319.369 -0.604 30 20 DBED CN(CCOCCNC(=O)c1cc[nH]n1)c1ccc(C#N)nn1 1115171202 OUZNODWGPPOPNS-UHFFFAOYSA-N 315.337 -0.046 30 20 DBED C#CCNC(=O)CC(=O)NCC1(NCC(N)=O)CCCCC1 1115492003 QGSRSIKEDPJXQU-UHFFFAOYSA-N 308.382 -0.980 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)NCC1(N2CCOCC2)CC1 1117657386 ISCNYJZEGQTRIO-UHFFFAOYSA-N 317.389 -0.548 30 20 DBED COc1cccnc1CNC(=O)C(=O)N1CC[C@](O)(CC#N)C1 1118162697 RKHROTKSRZSGAE-OAHLLOKOSA-N 318.333 -0.417 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N2CC[C@@](F)(C#N)C2)CCN1C1CC1 1118949352 ZJRABXLWKFINEF-IUODEOHRSA-N 319.340 -0.351 30 20 DBED Cc1cc(=N[C@H](CO)CNC(=O)c2cn[nH]c2)c(C#N)c[nH]1 1121100845 ZKIZRSXDIWIDGW-LBPRGKRZSA-N 300.322 -0.391 30 20 DBED N#Cc1nc(=N[C@@H](CO)CNC(=O)Cc2ccoc2)cc[nH]1 1121340096 QTROEQAWSMSQCB-LLVKDONJSA-N 301.306 -0.505 30 20 DBED CCn1ncc(C(=O)NC[C@@H](CO)Nc2ccc(C#N)nn2)n1 1121472529 RZSFBBRWVRMMJS-JTQLQIEISA-N 316.325 -0.838 30 20 DBED CCCN(C)CC(=O)NC[C@@H](CO)Nc1cncc(C#N)n1 1121886912 ANBYTOYQGYAWQD-LBPRGKRZSA-N 306.370 -0.421 30 20 DBED Cc1cc(C#N)nc(N[C@@H](CO)CNC(=O)CC(=O)N(C)C)n1 1122635730 KSHQJVHVPLDNJS-LLVKDONJSA-N 320.353 -0.976 30 20 DBED C[C@@H]1C[C@H](Nc2cncc(C#N)n2)CN1C(=O)CNC(N)=O 1123148550 YHEGNDUIWRKWFG-BDAKNGLRSA-N 303.326 -0.582 30 20 DBED C#CCNC(=O)CC(=O)NCCNCc1noc2c1CCCC2 1125977724 FACFUJNVOIPFGK-UHFFFAOYSA-N 318.377 -0.101 30 20 DBED C=C[C@](C)(O)CC(=O)NCCNCC(=O)NCCOCC 1126359872 FSNHWUULNVAQQH-AWEZNQCLSA-N 301.387 -0.828 30 20 DBED C=C[C@](C)(O)CC(=O)NCCNCC(=O)NC[C@H]1CCCO1 1126366448 VQXVUMNSXBLWLX-DOMZBBRYSA-N 313.398 -0.686 30 20 DBED C#CCNC(=O)CC(=O)NCc1cnn2c1CN(CC=C)CC2 1128312157 JLUGUXIRHOMGBZ-UHFFFAOYSA-N 315.377 -0.360 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1c(C)ccnc1OCC 1131754974 XUUMCJZOWWVRPF-UHFFFAOYSA-N 318.377 -0.142 30 20 DBED C=CCN(CC=C)C(=O)CN1C[C@@H](NC(=O)C(N)=O)CC[C@@H]1C 1132253567 WGYQFOKTQXPFLN-STQMWFEESA-N 322.409 -0.359 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)[C@H]1CN(C)C[C@H]1C 1133866944 QAMIFAVVLNBKID-KGLIPLIRSA-N 323.441 -0.348 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)Cc1cnn(C)c1 1133893870 VGIKFQRQWCELLF-CHWSQXEVSA-N 319.409 -0.415 30 20 DBED CC(C)c1nccn1CC(=O)NCCNCC(=O)NCC#N 1134569986 DEBBDXRBBMKFGA-UHFFFAOYSA-N 306.370 -0.648 30 20 DBED C[C@@H](C[C@@H](C)NCC(=O)NCC#N)NC(=O)C1(CN(C)C)CC1 1135298944 RUQCMSQOFGGJNK-OLZOCXBDSA-N 323.441 -0.159 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)CCc1ncccn1 1135559084 CXMRVLASVKJZMI-LBPRGKRZSA-N 305.382 -0.194 30 20 DBED C#CCCN[C@H](C)C[C@@H](C)NC(=O)c1cc(=O)n2[nH]cnc2n1 1135923129 HQUNJNPEJLMFNI-GHMZBOCLSA-N 316.365 -0.073 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)c1cc(=O)n2[nH]cnc2n1)NCC#N 1135924634 UMKLVIHNYHJQKB-DTWKUNHWSA-N 303.326 -0.572 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)C1CCOCC1)C2 1146871337 GYDXAPCFVATBLJ-UHFFFAOYSA-N 319.405 -0.303 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)[C@H]1CCc2nc[nH]c2C1 1146993522 BRIBJJQYPMKMTL-RYUDHWBXSA-N 319.409 -0.089 30 20 DBED CCCCn1cc(C(=O)NCCNCC(=O)NCC#N)c(C)n1 1147238348 GATSWNDTOUFCGW-UHFFFAOYSA-N 320.397 -0.049 30 20 DBED C=CCCCN1CCC2(C1)CN(C(=O)CN1CCNC(=O)C1)C2 1148024462 MEWHQQQFSVDNEJ-UHFFFAOYSA-N 320.437 -0.081 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)C(=O)N2CC[C@@H](C)C2)C1 1150571877 KRUPOSFJEUAEAC-KGLIPLIRSA-N 307.394 -0.305 30 20 DBED C[C@@H](C#N)C(=O)NCCCNCC(=O)NC(=O)NC(C)(C)C 1155848893 RGINNBFETALQNX-JTQLQIEISA-N 311.386 -0.134 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NCCCNCc1nnnn1C 1158310230 OZTWEMSRKCRSOJ-NEPJUHHUSA-N 308.386 -0.213 30 20 DBED C=CCNC(=O)CNCCCNC(=O)C[C@H]1CCCC(=O)N1 1162172687 WIZKPIOBHLVCRD-GFCCVEGCSA-N 310.398 -0.557 30 20 DBED CC(=O)N1CCOC[C@H]1C(=O)NCCC1(CNCC#N)CC1 1168230885 IXVUPZKBSNEPDA-ZDUSSCGKSA-N 308.382 -0.367 30 20 DBED C=CCNC(=O)CNCCCNC(=O)c1c2c(nn1C)CCC2 1171011316 QVFOXCXIRFZCAC-UHFFFAOYSA-N 319.409 -0.080 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)c1[nH]cnc1CC 1174920185 YOIJVSCCTGJWLC-NSHDSACASA-N 305.382 -0.181 30 20 DBED COCC#CCNCCCNC(=O)CS(=O)(=O)C(C)C 1176361619 JLFKSNRDAQFZFT-UHFFFAOYSA-N 304.412 -0.445 30 20 DBED N#CCN1CCO[C@@H]2CCN(C(=O)CCCn3cncn3)C[C@H]21 1177126424 ZFRGBSRUQKBFDK-ZIAGYGMSSA-N 318.381 -0.116 30 20 DBED C=CCNC(=O)CNCCCNC(=O)COC[C@H]1CCCO1 1177478383 UBBKMJFUHYAONA-CYBMUJFWSA-N 313.398 -0.420 30 20 DBED C=CCCN[C@H]1CCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)[C@H]1C 1179648240 JVDSIRKQPITZIQ-QWRGUYRKSA-N 322.365 -0.438 30 20 DBED C=CCNC(=O)CNC[C@H]1CCN(C(=O)CC(N)=O)C[C@H]1C 1184098199 IUYRURJZTSQSLH-VXGBXAGGSA-N 310.398 -0.762 30 20 DBED C=CCNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)[C@H](F)CC)C1 1184889780 AOULEONOAYEGGX-GHMZBOCLSA-N 314.361 -0.063 30 20 DBED COC(=O)NCC(=O)N1C[C@@H](CNCC#N)C2(CCOCC2)C1 1186273207 NAXINNLTSADWGA-GFCCVEGCSA-N 324.381 -0.289 30 20 DBED N#CCNC(=O)CN1C[C@@H]2CCN(C(=O)[C@@H]3CCOC3)[C@@H]2C1 1187101472 MHSLGLNXSKRARK-YNEHKIRRSA-N 306.366 -0.805 30 20 DBED C[C@@H](C(=O)N1CC[C@@H](NCC(=O)NCC#N)C1)c1cnn(C)c1 1188528159 HILPTHSNQLRLCO-DGCLKSJQSA-N 318.381 -0.646 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@H]1CCN(C(=O)c2csnn2)C1 1191587384 WGMKQCJPEIHCGD-QWRGUYRKSA-N 321.406 -0.178 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@H]1CCN(C(=O)c2cnco2)C1 1191617304 MGBHLHUPDICPMW-NEPJUHHUSA-N 304.350 -0.041 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@@H]1CCN(C(=O)c2cccnn2)C1 1193009165 UYQURQOTYRBPKL-QWHCGFSZSA-N 315.377 -0.239 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C(CC=C)CC=C)C1 1193231427 BBQXCIFMVPJPLK-HUUCEWRRSA-N 319.405 -0.335 30 20 DBED C#CCCN(C)[C@@H]1CCN(C(=O)CN2C(=O)NC(C)(C)C2=O)C1 1193826056 WTZAYCVINPNRTJ-GFCCVEGCSA-N 320.393 -0.127 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)[C@]2(F)CCOC2)C1 1195593884 CWAGFASFEZVRKZ-BZPMIXESSA-N 302.346 -0.521 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)Cc2ccco2)C1 1197089306 CATYQAALPWURCU-MRVWCRGKSA-N 319.361 -0.879 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)Cc2cnn(C)c2)C1 1197349570 GTNLZIOAYNUTOB-NWANDNLSSA-N 304.394 -0.217 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)CCCn2nc(C)nc2C)C1 1197673244 KNPMTVHDCOJXAW-ZIAGYGMSSA-N 305.382 -0.530 30 20 DBED C#CCNC(=O)CC(=O)N1CCCO[C@@H](CNCC2CC2)C1 1200320985 CYMVVZCHYFZQGH-AWEZNQCLSA-N 307.394 -0.257 30 20 DBED C#CCCNC1CCN(C(=O)CNS(=O)(=O)CC)CC1 1200859996 ZTDKKFSOLMNUQV-UHFFFAOYSA-N 301.412 -0.470 30 20 DBED C#CCCCC(=O)N1C[C@H]2CC[C@H]1[C@H](NCC(=O)NC(N)=O)C2 1204286128 XKARKMUPTXWXBE-XQQFMLRXSA-N 320.393 -0.046 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2cnc(C)cn2)[C@H](C)C1 1205800622 DAUFSCJUVIFALD-BXUZGUMPSA-N 315.377 -0.415 30 20 DBED C#CCNCC1CCN(C(=O)c2cnc(O)n(C)c2=O)CC1 1205846311 DJXYHLMLUDURHN-UHFFFAOYSA-N 304.350 -0.439 30 20 DBED CC#CCNCC1CCN(C(=O)CN2CCNC(=O)C2)CC1 1205860171 DYOKGHCLZQGDSE-UHFFFAOYSA-N 306.410 -0.730 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@@H](NC[C@@H]2CCOC2)C1 1207871754 ARVNYCXUBYPPNT-UONOGXRCSA-N 307.394 -0.257 30 20 DBED C=CCN[C@H]1CCCN(C(=O)CS(=O)(=O)CCOC)C1 1208436080 VXPXJXPCZOUGSP-LBPRGKRZSA-N 304.412 -0.186 30 20 DBED COCC#CCN1C[C@@H](NC(=O)c2c[nH]c(C(N)=O)c2)[C@H](C)C1 1211045892 DMRXFPFOZCAZAU-BXUZGUMPSA-N 318.377 -0.187 30 20 DBED C=C(C)CN[C@@H]1CN(C(=O)CN(C)S(C)(=O)=O)C[C@H]1C 1214763952 NJRPYGURLQYEBF-VXGBXAGGSA-N 303.428 -0.110 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)/C=C/C1CC1 1217595404 OZXTZLLDKSMSET-ICWYTKJFSA-N 317.389 -0.386 30 20 DBED COc1ccc(CN2C[C@H](O)[C@H](NC(=O)[C@H](C)C#N)C2)cn1 1219378984 KQNGAHXIRNJRHI-RTXFEEFZSA-N 304.350 -0.089 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)/C=C/C2CC2)C1 1219420269 OCBYAJGHPBBPOG-NIIIIQAQSA-N 305.378 -0.748 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2oc(C)nc2C)C[C@@H]1O 1219604968 FIYVUUUGNGENTE-BNOWGMLFSA-N 321.377 -0.009 30 20 DBED C=CCOCC(=O)NC1CCN(Cc2nc(=O)n(C)[nH]2)CC1 1226589564 TYCHDZCIDPSOBO-UHFFFAOYSA-N 309.370 -0.608 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)c2nc(C)c[nH]2)CC1 1229535326 JDNUYSJPCXGNBA-UHFFFAOYSA-N 303.366 -0.338 30 20 DBED Cc1nonc1C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCC#N 1230352808 PUMCNTVULFXUPB-GHMZBOCLSA-N 320.353 -0.352 30 20 DBED C#CCN1CCS(=O)(=O)[C@H](CCNC(=O)[C@H]2CCCO2)C1 1230416445 IXKTYPNLFUYNHB-CHWSQXEVSA-N 314.407 -0.596 30 20 DBED N#CCN1CCS(=O)(=O)[C@@H](CCNC(=O)c2ccon2)C1 1230425139 CNQLBLPHXGJSFZ-JTQLQIEISA-N 312.351 -0.583 30 20 DBED C#CCN1CCS(=O)(=O)[C@H](CCNC(=O)c2ccn(C)n2)C1 1230521724 YJRLFWYEANWAQJ-GFCCVEGCSA-N 324.406 -0.728 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)c1cnnc(C)c1 1233866087 NHPHJAHPNITOSP-AWEZNQCLSA-N 315.377 -0.319 30 20 DBED C=CCCN(C)C(=O)C(=O)NCCS(=O)(=O)NC(C)(C)C 1257206300 FGWSEYPTMUGPGK-UHFFFAOYSA-N 319.427 -0.145 30 20 DBED C[C@H](C(=O)NCC(=O)NCC#N)c1ccc(S(C)(=O)=O)cc1 1261115693 JNVPPPIUEHYBFP-JTQLQIEISA-N 323.374 -0.050 30 20 DBED N#CCNC(=O)CNC(=O)CNC(=O)c1cc(Cl)ccn1 1261119276 KEGTXCNZVROOMW-UHFFFAOYSA-N 309.713 -0.779 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)C(=O)N2CC([C@H]3CCOC3)C2)C1 1261486706 DDAGXTYHFGBRCT-XHDPSFHLSA-N 307.350 -0.642 30 20 DBED C#CCN(C)C(=O)C(=O)Nc1ccc(OCC(=O)NC)cc1 1321797445 OZCOALAFGJUVBT-UHFFFAOYSA-N 303.318 -0.159 30 20 DBED COC(=O)[C@H]1C[C@H](O)CN(C(=O)C(=O)N2CCC(C#N)CC2)C1 1326249145 NMUFHYKTUMQSRG-RYUDHWBXSA-N 323.349 -0.869 30 20 DBED C=CCCN(C)C(=O)C(=O)NCCCN(C)S(C)(=O)=O 1327773383 PANQAIJOXLJKGE-UHFFFAOYSA-N 305.400 -0.581 30 20 DBED C=CCOCCNC(=O)C(=O)N[C@@H]1CCN(CC(F)F)C1 1327832503 QZSKWHXZIXLCRJ-SNVBAGLBSA-N 305.325 -0.239 30 20 DBED CC(C)c1nn(C)cc1NC(=O)C(=O)NCC(=O)NCC#N 1329191386 PYMRYZOGLXKOHC-UHFFFAOYSA-N 306.326 -0.762 30 20 DBED C#CCN(C(=O)C(=O)N(C)CCCN1CCN(C)CC1)C(C)C 1335122804 OCMIFQPRNNMXQD-UHFFFAOYSA-N 322.453 -0.048 30 20 DBED C=C(C)CCC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 1337052352 KAFSSZDDHMAMPT-CHWSQXEVSA-N 316.423 -0.043 30 20 DBED N#C[C@]1(F)CCN(C(=O)C(=O)N2CCc3ncncc3C2)C1 1338184281 KKGWQIFZYAKLBK-CQSZACIVSA-N 303.297 -0.175 30 20 DBED C#CCSCCNC(=O)C(=O)NC1COC(C)(C)OC1 1342288495 IVXDKWLEZSFBRX-UHFFFAOYSA-N 300.380 -0.263 30 20 DBED C#CCOCCNC(=O)C(=O)NCc1nnc(SC)s1 1346543283 LOJDXKZAXRCOSZ-UHFFFAOYSA-N 314.392 -0.358 30 20 DBED COC1(C)CN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1 1348535424 MJGZKECOFLEWJR-LBPRGKRZSA-N 306.366 -0.568 30 20 DBED N#Cc1cn(CC(=O)Nc2nncn2C2CC2)c(=O)nc1O 1362818110 RFSGIJVWFCNBKT-UHFFFAOYSA-N 301.266 -0.614 30 20 DBED N#CC1(CNC(=O)N[C@@H]2CCc3nnnn3CC2)CCOCC1 1364676721 TUKBXKXDCBFNOP-LLVKDONJSA-N 319.369 -0.002 30 20 DBED N#Cc1ccc([C@H](C(N)=O)N2CC[C@@H](CS(N)(=O)=O)C2)cc1 1364815901 UOWKBOUHWACOAE-DGCLKSJQSA-N 322.390 -0.305 30 20 DBED C=C(Br)CNC[C@H](O)CNC(=O)CNC(=O)CC 1367581368 NOAOSZGRCITKHI-VIFPVBQESA-N 322.203 -0.512 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CN(C)C(=O)CC1OCCCO1 1382970069 QDFCZDYHNSESML-GHMZBOCLSA-N 313.354 -0.765 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CCCN1C(=O)CN1CCOCC1 1388339688 FAGHVFRTYGRESN-CHWSQXEVSA-N 308.382 -0.415 30 20 DBED COc1cc(O)ncc1C(=O)N1CC(NC(=O)[C@@H](C)C#N)C1 1389407216 QOUHVMVLZWZLQQ-QMMMGPOBSA-N 304.306 -0.104 30 20 DBED C[C@H](CNC(=O)CCn1cnccc1=O)NC(=O)[C@H](C)C#N 1400067492 GJRGGBFSEPDRMY-GHMZBOCLSA-N 305.338 -0.586 30 20 DBED N#Cc1cn(CC(=O)N[C@@H]2CCN3CCC[C@H]3C2)c(=O)nc1O 1411640850 FEMZDXBSQYRWAC-NEPJUHHUSA-N 317.349 -0.436 30 20 DBED CC[C@@H](CNS(C)(=O)=O)NS(=O)(=O)CC1(C#N)CC1 1413357573 NLGGLVODPVQBGJ-VIFPVBQESA-N 309.413 -0.463 30 20 DBED Cc1cnc(O)c(CNc2c(C#N)c(=O)n(C)c(=O)n2C)c1 1413922568 AXMKMNYKKBWNLQ-UHFFFAOYSA-N 301.306 -0.023 30 20 DBED CCCC[C@H](CNC(=O)[C@@H](C)C#N)NC(=O)Cn1ncnn1 1424446207 NNMXVSJAYYSFMO-WDEREUQCSA-N 307.358 -0.376 30 20 DBED CCN(CCNC(=O)[C@@H]1CCC(=O)N1)C(=O)c1cc(C#N)c[nH]1 1429652836 GLBLKINCQYTUOB-NSHDSACASA-N 317.349 -0.257 30 20 DBED C[C@H](C#N)C(=O)N(C)C[C@@H]1CCN(C(=O)Cc2nc[nH]n2)C1 1432111239 KFCFFQQMPDYIBB-MNOVXSKESA-N 304.354 -0.186 30 20 DBED C[C@H](C#N)C(=O)NC[C@]1(C)CCN(C(=O)Cn2cncn2)C1 1432712941 ZPWUTLGYRSMNSO-RISCZKNCSA-N 304.354 -0.207 30 20 DBED C[C@@H](CNC(=O)c1ccc(C(N)=O)cn1)N(C)C(=O)[C@H](C)C#N 1449986894 VGNYGHCMQFWQKW-ZJUUUORDSA-N 317.349 -0.083 30 20 DBED CN(Cc1nnc2ccccn12)c1[nH]c(=O)n(C)c(=O)c1C#N 1458146572 SVZCJGVQDPNAJR-UHFFFAOYSA-N 311.305 -0.376 30 20 DBED CNC(=O)[C@@H](O)CNS(=O)(=O)c1c(C)cc(F)cc1C#N 1463508713 VWPUTEROAGPWQT-JTQLQIEISA-N 315.326 -0.609 30 20 DBED CC(C)[C@@H](O)C1(CNC(=O)Cn2cc(C#N)c(O)nc2=O)CC1 1466421795 QIZIDHNJIQDXRL-GFCCVEGCSA-N 320.349 -0.266 30 20 DBED COCC#CCN1CC[C@H](NC(=O)CN(C)C(=O)C2CC2)C1 1481689542 ROAYHIXFTLBOOU-AWEZNQCLSA-N 307.394 -0.305 30 20 DBED CNC(=O)NCC(=O)NCC(C)(C)CN(C)C(=O)[C@@H](C)C#N 1508690759 OCLHLJXHYMPNEL-JTQLQIEISA-N 311.386 -0.324 30 20 DBED C=CCOCC(=O)NCCN(C)c1ccnc(-c2nn[nH]n2)n1 1573344023 WNDXFFWWYCBXIF-UHFFFAOYSA-N 318.341 -0.588 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@](CO)(NCCc2cnn[nH]2)C1 1575175938 CILAQNNBCZIBDR-BXUZGUMPSA-N 306.370 -0.550 30 20 DBED N#Cc1ncc(NCCC[C@H]2C=NNC2=O)nc1-c1nn[nH]n1 1581884003 GKAHFCNJHFFNTE-ZETCQYMHSA-N 312.297 -0.548 30 20 DBED C#CC1(O)CN(C(=O)Cc2[nH]c(C(C)=O)c(C)c2C(=O)O)C1 1588379300 CFRBKGPNSNIUKS-UHFFFAOYSA-N 304.302 -0.027 30 20 DBED C[C@@H]1CN(CCC(=O)O)CCN1C(=O)C(=O)NCCCCC#N 1594514436 XRLXTYZXMIXJEQ-GFCCVEGCSA-N 324.381 -0.196 30 20 DBED N#Cc1ccc(S(=O)(=O)NCCn2ncnn2)c(C(=O)O)c1 1601111409 BGWZBYULKDWYTK-UHFFFAOYSA-N 322.306 -0.779 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCCCN(CC(=O)O)C1=O 1602702437 MMGWNPPCFLZLMC-OLZOCXBDSA-N 321.377 -0.334 30 20 DBED C=CCNC(=O)CN1CCC2(C1)CN(C(=O)[C@H]1C[C@@H]1C(=O)O)C2 1602901246 CXXFRPVOOKMHBJ-RYUDHWBXSA-N 321.377 -0.456 30 20 DBED C[C@H]1CCN(c2cnc(C#N)c(-c3nn[nH]n3)n2)C[C@H]1CO 1603908567 DUMOWEHBTXJDTC-IUCAKERBSA-N 300.326 -0.017 30 20 DBED O=C(O)CC[C@@H]1C[C@@H](C(=O)N[C@@H]2CCCN(O)C2=O)CO1 1606107440 KRXXPQZFDHPLFM-OPRDCNLKSA-N 300.311 -0.247 30 20 DBED N#C[C@H]1CC[C@@H](NC(=O)C(=O)N2C[C@@H](O)C[C@H](C(=O)O)C2)C1 1608190439 RVFQWHLVXFXJOK-MMWGEVLESA-N 309.322 -0.911 30 20 DBED C=CCOC[C@@H](NC(=O)c1cnc2c(c1)NC(=O)CO2)C(=O)O 1609442920 KQFZDVHZQQOCTJ-SNVBAGLBSA-N 321.289 -0.202 30 20 DBED CNC(=O)CNC(=S)NN=Cc1cccn1[C@@H](C)C(=O)O 1610140123 LVJQEJKCCKVAQG-QMMMGPOBSA-N 311.367 -0.322 30 20 DBED Cc1cc(NC(=O)c2cnn(C[C@@H](O)CO)c2)nn1CCC#N 1645981248 VPYDDQMYEKYTIB-GFCCVEGCSA-N 318.337 -0.093 30 20 DBED CCn1nc(C)c(CNC(=O)NCCn2cnc(C#N)n2)n1 1649844352 ZDNBGFUJQZPIBB-UHFFFAOYSA-N 303.330 -0.431 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)c2cnnc(C)c2)C1 1713969264 PAWZOIWQOQOIGB-CYBMUJFWSA-N 301.350 -0.661 30 20 DBED C[C@@H]1CN(C(=O)CN2CC[C@@H](NC(=O)C#CC3CC3)C2)CCO1 1715003579 LXPOWKXCWQRZQA-UKRRQHHQSA-N 319.405 -0.162 30 20 DBED C#CCN1CCN(CCCNC(=O)[C@@H](C)NC(=O)CC)CC1 1752344507 RWBHFTOZWTUROH-CQSZACIVSA-N 308.426 -0.342 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@H]1C[C@H](NC(=O)c2cnn(C)c2N)C1 1752628516 VSRBEUZVQDYTKG-GMTAPVOTSA-N 320.397 -0.457 30 20 DBED CN(C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)[C@H]1CCN(CC(=O)NCC#N)C1 1753443902 GPNNMHKQBKNLEO-DGAVXFQQSA-N 320.393 -0.274 30 20 DBED C#CCNC(=O)CN[C@@H](CC)CNC(=O)[C@@H]1CN2CCC1CC2 1753474475 XRHHGFCHSFFDDR-LSDHHAIUSA-N 320.437 -0.438 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@](C)(NC(=O)CNC(C)=O)C1CC1 1753512624 YUYPQUDUFCVEPM-ZBEGNZNMSA-N 322.409 -0.865 30 20 DBED N#CCNC[C@H](O)CNC(=O)c1c[nH]nc1-c1ccncc1 1753916832 GKMHLPZNOXZENB-NSHDSACASA-N 300.322 -0.324 30 20 DBED Cc1nn(C)c(F)c1C(=O)N[C@H](C)CCNCC(=O)NCC#N 1754017657 FVKKURFHQSBIJO-SECBINFHSA-N 324.360 -0.395 30 20 DBED C=CCNC(=O)CNC[C@@H](NC(=O)c1cncn1C)C1CC1 1754456355 KDIKVKGXKBWAEC-GFCCVEGCSA-N 305.382 -0.180 30 20 DBED N#CCNC[C@@H]1CCCN1C(=O)Cn1nc2ccccn2c1=O 1754614105 KRPAYJDXJPGIAN-LBPRGKRZSA-N 314.349 -0.400 30 20 DBED CC#CCNC1(CNC(=O)c2ccc(=O)n(C)n2)CCOCC1 1754742880 YZMOFRCVBIZSJL-UHFFFAOYSA-N 318.377 -0.328 30 20 DBED C#CCCN1CC[C@@](O)(CNC(=O)[C@H]2COCCN2CC)C1 1754752293 FSEJBPVVKHUSSP-GDBMZVCRSA-N 309.410 -0.717 30 20 DBED C#CCN1CC[C@](O)(CNC(=O)Cn2nnc3c2CCCC3)C1 1754758099 YUSTVKYLDDLZJF-INIZCTEOSA-N 317.393 -0.657 30 20 DBED C=CCN1CC[C@H](N2CC(O)(CNC(=O)C(F)F)C2)C1=O 1754764225 SXAPBNLZZVNFTL-VIFPVBQESA-N 303.309 -0.799 30 20 DBED C[C@]1(C(=O)N2C[C@@H]3CN(CC(=O)NCC#N)C[C@@H]3C2)CCOC1 1754844437 LAUIUIFESWSOPK-ZENOOKHLSA-N 320.393 -0.557 30 20 DBED C=CCn1cc(C(=O)N[C@@H](C)[C@@H](C)NCc2nc(O)n[nH]2)nn1 1755255328 FYDIVHAWJWGVBX-BDAKNGLRSA-N 320.357 -0.416 30 20 DBED C=CCOCC(=O)N1C[C@@H](NC(=O)c2cnn(C)n2)C(C)(C)C1 1756184445 SZEBNLUSJYEEHL-GFCCVEGCSA-N 321.381 -0.016 30 20 DBED C[C@@H](C#N)C(=O)NCCCOCCNC(=O)c1n[nH]cc1F 1756401250 DJWJFQMYMSSNSU-VIFPVBQESA-N 311.317 -0.039 30 20 DBED C#CCCCC(=O)NC[C@H](CO)NC(=O)Cc1cc(C)nn1C 1756515782 PKFYDXJXNDWYTK-CYBMUJFWSA-N 320.393 -0.332 30 20 DBED C=CCO[C@H](C)C(=O)NC[C@@H](O)CN(C)C(=O)c1[nH]cnc1C 1756668241 FSEZHDPFMPPSER-VXGBXAGGSA-N 324.381 -0.142 30 20 DBED Cc1ncc(C(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)[nH]1 1841715546 AZXMKIHFVGKPRK-UHFFFAOYSA-N 316.317 -0.377 30 20 DBED C#CC(=O)N1CCCC12CN(C(=O)CCNC(=S)NC)C2 1845959405 MQBUIOLAKRRVNV-UHFFFAOYSA-N 308.407 -0.693 30 20 DBED Cn1cc(C#N)c(=O)n(C[C@@H](O)COc2ccccc2)c1=O 73649558 GSABDGIUSLXLIX-GFCCVEGCSA-N 301.302 -0.141 30 20 DBED N#Cc1cc(F)ccc1S(=O)(=O)NCC1(CO)COC1 129064595 GOZOZGCOGXXEBM-UHFFFAOYSA-N 300.311 -0.015 30 20 DBED N#Cc1cccc(CS(=O)(=O)N[C@H](CC(=O)O)C(=O)O)c1 166497897 QMGSJJJHVCASAM-SNVBAGLBSA-N 312.303 -0.094 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)C[C@@H]2CCCO2)CC1 265058403 SRJDZICLTBRTCE-AWEZNQCLSA-N 307.394 -0.161 30 20 DBED C#CCOc1ccc(F)cc1NC(=O)C(=O)NCCOCCO 266667998 QGAWWQZZRLCSEI-UHFFFAOYSA-N 324.308 -0.099 30 20 DBED C[C@H](C/N=C(/O)N1C[C@H]2COC[C@@H](C1)O2)CN1CCOCC1 328761452 YCCMCOWILNQMOP-MCIONIFRSA-N 313.398 -0.032 30 20 DBED Cn1nnc(C/N=C(/O)N2CCN(C[C@@H]3CCOC3)CC2)n1 330229809 QHMVWJGGHPROSL-NSHDSACASA-N 309.374 -0.722 30 20 DBED CC(C)N1CC[C@@H](N/C(O)=N/[C@@H](C)C(=O)NCCF)C1=O 330433526 XOAITBKMEYLUJW-VHSXEESVSA-N 302.350 -0.027 30 20 DBED CCN(CCC/N=C(/O)N1CC[C@@H](CO)C1)S(C)(=O)=O 330799295 BQVPCRJNKZOGEM-LLVKDONJSA-N 307.416 -0.114 30 20 DBED COC[C@@H]1CCCN(S(=O)(=O)N2CCO[C@H](C#N)C2)C1 337092288 MEBUDWYNAFBIOB-VXGBXAGGSA-N 303.384 -0.186 30 20 DBED C=CCN1CC[C@@H](N(C)CC(=O)NCC(=O)NC(C)(C)C)C1=O 337233779 WOEITTIJGHYCET-GFCCVEGCSA-N 324.425 -0.264 30 20 DBED N#CCNC(=O)CNC(=O)NCCNC(=O)c1ccccc1F 345642318 XHUOXELGHFLNOI-UHFFFAOYSA-N 321.312 -0.506 30 20 DBED COCCN1C[C@H](C(=O)Nc2cc(C)n(CCC#N)n2)CC1=O 348800482 YLYWYZBQZGOKPT-GFCCVEGCSA-N 319.365 0.539 30 20 DBED C[C@@H](CNC(=O)c1cnn(C)c1C#N)CN1CCN(C)CC1 356086678 IECHAYAWJKSWEV-LBPRGKRZSA-N 304.398 -0.095 30 20 DBED C=CCOC[C@H](NC(=O)CNC(=O)c1ccco1)C(=O)OC 360737601 MTRXEOHUHNTYOZ-JTQLQIEISA-N 310.306 -0.130 30 20 DBED C=CCNC(=O)CNC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O 360754038 HMJMSEKVQOHHSX-AWEZNQCLSA-N 308.338 -0.875 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@H]1CCN(C(C)=O)C1 407953463 LSIKOLPIYWQSDM-JQWIXIFHSA-N 302.400 -0.077 30 20 DBED Cc1ccc(C)c(S(=O)(=O)NCC(=O)NCC#CCO)c1 412324313 NENWKZZHCNSBHJ-UHFFFAOYSA-N 310.375 -0.306 30 20 DBED C=CC[C@@H](CC)NC(=O)C(=O)N1CCC[C@@H](C(=O)NCCN)C1 419138080 QCLSXUGBHKKMGJ-CHWSQXEVSA-N 324.425 -0.229 30 20 DBED C=CCCn1cc(C(=O)N[C@@H](C)C(=O)N2CCOCC2)nn1 424610514 CACVEHNRFSESAU-NSHDSACASA-N 307.354 -0.169 30 20 DBED C=CCOC[C@@H](NC(=O)[C@@H]1CCCN(C(N)=O)C1)C(=O)OC 435140895 WNZUZKMXUIFWQQ-GHMZBOCLSA-N 313.354 -0.363 30 20 DBED N#Cc1cncc(S(=O)(=O)N2CCN3CCOC[C@@H]3C2)c1 577308815 SVPYKFMECNWOFV-LBPRGKRZSA-N 308.363 -0.342 30 20 DBED C=CCOC[C@@H](NS(=O)(=O)CC[C@@H]1CCOC1)C(=O)O 580560738 VYFQZOPAZJYFCF-WDEREUQCSA-N 307.368 -0.012 30 20 DBED N#Cc1ccc(S(=O)(=O)N2C[C@@H](CO)[C@@H](O)C2)cc1F 580725848 WNXVGNODSZODHH-CABZTGNLSA-N 300.311 -0.329 30 20 DBED CN1CCC(C#N)(NC(=O)c2nc(N)nc(N(C)C)n2)CC1 593894239 ZJVJHNIDMKWLSM-UHFFFAOYSA-N 304.358 -0.762 30 20 DBED COC(=O)[C@](C)(CO)NC[C@@H](O)COc1ccc(C#N)cc1 595529497 JJBJZGFMYYRAMP-DOMZBBRYSA-N 308.334 -0.188 30 20 DBED N#CCCN1CCN(C(=O)CNC(=O)c2ccncc2)CC1 602204576 QIKKPAQJNZOCFN-UHFFFAOYSA-N 301.350 -0.131 30 20 DBED CN(CCS(N)(=O)=O)S(=O)(=O)c1cccc(F)c1C#N 719715414 XOXXEHCTTBCGOV-UHFFFAOYSA-N 321.355 -0.394 30 20 DBED N#CCN(CC(=O)O)C(=O)c1csc(S(N)(=O)=O)c1 739084936 AEXLDNFMPAMDLB-UHFFFAOYSA-N 303.321 -0.554 30 20 DBED C#CCCCCNC(=O)NCCNS(=O)(=O)NC(C)C 758980830 VRTKKVMHDMCXEX-UHFFFAOYSA-N 304.416 -0.079 30 20 DBED C#C[C@@H](NC(=O)C1CCN(S(N)(=O)=O)CC1)[C@H]1CCCO1 772881561 SDDFDPGIZDXMBX-VXGBXAGGSA-N 315.395 -0.801 30 20 DBED C#C[C@@H](NC(=O)C(=O)Nc1cnn(CCOC)c1)[C@@H]1CCCO1 773797891 OUPZCQCOVBNKNW-OLZOCXBDSA-N 320.349 -0.235 30 20 DBED C#C[C@@H](NCCNS(=O)(=O)CCCOC)[C@@H]1CCCO1 775801216 WUGCWPFIAHZOJS-OLZOCXBDSA-N 304.412 -0.287 30 20 DBED CCOC(=O)CNC(=O)[C@H]1COCCN1CCO[C@@H](C)C#N 801938541 GLASRGNSTFEBNF-NWDGAFQWSA-N 313.354 -0.705 30 20 DBED C#CCCS(=O)(=O)NC(=O)c1cccc(OCC(N)=O)c1 810785387 GDHNAPUITFRZML-UHFFFAOYSA-N 310.331 -0.366 30 20 DBED C#CCCS(=O)(=O)NC(=O)[C@@H]1CCCCN1S(C)(=O)=O 810786832 YXYYWJINFWHGFT-JTQLQIEISA-N 322.408 -0.730 30 20 DBED C=C[C@H](O)C(=O)OCCN1C(=O)c2ccccc2S1(=O)=O 814543868 CPWHSEGGDDBPHW-JTQLQIEISA-N 311.315 -0.079 30 20 DBED O=C(C#CC1CC1)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 834397554 QSGDFIPIABLMPY-UHFFFAOYSA-N 308.363 -0.344 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)NCCCn1ccnc1 874977357 VGUTVISDUODDRD-ZDUSSCGKSA-N 306.366 -0.066 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N[C@H](C)CN1CCCC1=O 875128301 SWNLHDINDFEKBA-CHWSQXEVSA-N 323.393 -0.342 30 20 DBED C#CC1(O)CN(C(=O)CN2C(=O)NC3(CCCCC3)C2=O)C1 890520175 HPMQWWGNSLHDHQ-UHFFFAOYSA-N 305.334 -0.552 30 20 DBED CN1CCN(C)CC(C(=O)NCc2ccc(C(=O)NO)cc2)C1 907817433 MWZYTYSXDGRPND-UHFFFAOYSA-N 320.393 -0.085 30 20 DBED COC(=O)c1c(S(=O)(=O)N=c2cc[nH]cc2C#N)n[nH]c1C 912563273 VUROIQBZDIZEAB-UHFFFAOYSA-N 321.318 -0.006 30 20 DBED C#CCN1CCC[C@H](NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 923571257 AYZQGXUQCGGUTP-STQMWFEESA-N 315.377 -0.024 30 20 DBED C#CC1(O)CN(CC(=O)Nc2ccc(S(C)(=O)=O)cc2)C1 934445605 AQPDNRPRKRLQDD-UHFFFAOYSA-N 308.359 -0.292 30 20 DBED O=C1C[C@@H](CC(=O)N[C@@H]2CCN(C(=O)C#CC3CC3)C2)C(=O)N1 941478287 BHSIRKXASZTQSK-VXGBXAGGSA-N 317.345 -0.830 30 20 DBED COc1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2OC)on1 941585515 VLIMEIKNDJDGHI-IQJOONFLSA-N 322.321 -0.202 30 20 DBED CN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)[C@@H]1CCCN(CC#N)CC1 948775341 GHKZGFVJTWDOJK-FRRDWIJNSA-N 308.382 -0.144 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCCN(C(=O)CC(N)=O)C1 950257600 IHUINCPXWOZAEZ-HUBLWGQQSA-N 323.393 -0.050 30 20 DBED C#CCN1CC(N(CC)C(=O)c2ccc(S(N)(=O)=O)o2)C1 950730955 GJNYQYNUIUIXRR-UHFFFAOYSA-N 311.363 -0.294 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@](C)(NC(=O)c2cn(C)c(=O)cn2)C1 957277670 WZANJOYIVVGGHS-MEBBXXQBSA-N 317.349 -0.339 30 20 DBED C#CCCN1C[C@@H](O)[C@@H](CNC(=O)c2cnn3c2CCC3)C1 958121947 NPMNYGKBRJIBAV-SWLSCSKDSA-N 302.378 -0.125 30 20 DBED C=CCN1C[C@H](CNC(=O)c2cnc3[nH]nnc3c2)[C@@H](O)C1 958135281 LJGMIHRTAPDBSO-JQWIXIFHSA-N 302.338 -0.439 30 20 DBED CC#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cn(C)c(C)cc2=O)C1 958151623 KLNVMWJEVONQIZ-XJKSGUPXSA-N 317.389 -0.260 30 20 DBED CC#CCN1C[C@H](O)[C@H](CNC(=O)c2ccnc(OC)n2)C1 958248388 IJDABTOBAWVMFP-YPMHNXCESA-N 304.350 -0.469 30 20 DBED N#CCN1C[C@@H](O)[C@H](CNC(=O)c2cnn3cccnc23)C1 958308940 DEULHPPIEMRJOK-ZYHUDNBSSA-N 300.322 -0.725 30 20 DBED Cc1nn2cccnc2c1C(=O)NC[C@@H]1CN(CC#N)C[C@H]1O 958693882 HZOYDRIWRNFOAR-VXGBXAGGSA-N 314.349 -0.416 30 20 DBED CN(C)CCn1ccc(C(=O)NC2[C@H]3CN(CC#N)C[C@H]23)n1 959957841 UZXGNVAHIIQXQB-RYUDHWBXSA-N 302.382 -0.372 30 20 DBED CO[C@H](C)C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)C#CC1CC1 960360644 HBQVVPNWAHYHOQ-KWCYVHTRSA-N 306.362 -0.127 30 20 DBED Cn1nnc(C(=O)NC2[C@H]3CN(Cc4ccccc4C#N)C[C@H]23)n1 961504753 LTFHYSZKPYCLLY-STQMWFEESA-N 323.360 -0.058 30 20 DBED Cc1cc2[nH]c(=O)c(C(=O)NC3[C@@H]4CN(CC#N)C[C@@H]34)cn2n1 962066839 NBDLHVJSJBBKNP-NXEZZACHSA-N 312.333 -0.485 30 20 DBED C#CCCN1CC[C@@H](C)[C@H](NC(=O)CN2CCNC(=O)C2)C1 967727853 XLZSSQZFEJEPSZ-ZIAGYGMSSA-N 306.410 -0.732 30 20 DBED C=C(Cl)CN(C)[C@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 972074887 FZWMYTDAWGJUNW-LBPRGKRZSA-N 314.817 -0.297 30 20 DBED CC#CCN1C[C@H]2CC[C@H]1CN2C(=O)[C@@H]1COCCN1C(C)=O 972128889 IOQDDCUNIRQYHB-XHSDSOJGSA-N 319.405 -0.068 30 20 DBED C#CCCN1CCO[C@@]2(CCN(C(=O)CCn3ccnn3)C2)C1 972358560 RQCMRTHJTRVAMO-INIZCTEOSA-N 317.393 -0.005 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)NC)CC1(C)C 974684284 HPBHALHWSXKMRV-UONOGXRCSA-N 320.437 -0.343 30 20 DBED C#CCCN1C[C@H]2C(CNC(=O)c3cn(C)c(=O)n3C)[C@@H]2C1 979106526 VQMNSHASIAPBRM-STQMWFEESA-N 302.378 -0.345 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCN(C(=O)C(C)C)C[C@H]2O)nn1 991485495 HWKORBZPLUGOCS-WCQYABFASA-N 321.381 -0.188 30 20 DBED O=C(NC1CN(C(=O)C#CC2CC2)C1)[C@H]1CCCCS1(=O)=O 993916192 DOVASNRKLVCKQQ-CYBMUJFWSA-N 324.402 -0.306 30 20 DBED C#CCN[C@H]1CN(C(=O)CN2CCN(C)C(=O)C2)CC1(C)C 995976546 CNJIIEVTBYWYSU-ZDUSSCGKSA-N 306.410 -0.780 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC(NC(=O)c3c[nH]c(=O)cn3)C2)c1 998578437 SDYDWBLKBXATKA-UHFFFAOYSA-N 312.289 -0.776 30 20 DBED CC#CCN1CCC[C@H](NC(=O)[C@@H]2CN(C(C)=O)CCO2)C1 1009381225 BMFDJLCDGMOLFB-GJZGRUSLSA-N 307.394 -0.162 30 20 DBED O=C(C#CC1CC1)N1CCN(C(=O)c2cc3n(n2)CCO3)CC1 1011108153 KPNXUIXTVFYATF-UHFFFAOYSA-N 314.345 -0.027 30 20 DBED COc1c(C(=O)N2CCN(C(=O)[C@H](C)C#N)CC2)cnn1C 1011850570 UYSDEHNLBWMGNG-SNVBAGLBSA-N 305.338 -0.127 30 20 DBED N#Cc1ccc(C(=O)N2C[C@H]3C(NC(=O)c4cnn[nH]4)[C@@H]3C2)[nH]1 1013386094 NWJPLEGBXLCIAP-RKDXNWHRSA-N 311.305 -0.495 30 20 DBED C#CCCN1CC[C@H](NC(=O)C2(n3cnnn3)CCOCC2)C1 1015823652 WDQUKWLZLVONPT-ZDUSSCGKSA-N 318.381 -0.607 30 20 DBED C[C@H](C#N)C(=O)N1CC=C(CNC(=O)c2ncn(C)n2)CC1 1017430915 YTWXRLMMYDZQRY-SNVBAGLBSA-N 302.338 -0.137 30 20 DBED C=CCN1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CCN(C)C(=O)C1 1017689324 GQVXZRCIGBHWSC-OKILXGFUSA-N 306.410 -0.378 30 20 DBED O=C1N[C@@H](C(=O)N2CCC3(CN(C(=O)C#CC4CC4)C3)C2)CO1 1019010287 LSRRPGOCDLNDJS-GFCCVEGCSA-N 317.345 -0.431 30 20 DBED C#CCN1CCC(C(=O)N[C@H]2C[C@H](N[C@@H](C)C(N)=O)C2)CC1 1021090499 XHPDLYRZRPYSDT-UBHSHLNASA-N 306.410 -0.558 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]2CN(C(=O)c3cnc(O)n3C)C[C@H]21 1022572133 BCMZHUNIXCERNQ-JFGNBEQYSA-N 317.349 -0.042 30 20 DBED N#CCN1C[C@H]2[C@H](NC(=O)[C@@]34C[C@H]5C[C@@H](C(=O)N3)[C@H]4C5)[C@H]2C1 1025837769 KSVUIKXTSQBUIT-MIQJHQITSA-N 300.362 -0.529 30 20 DBED C#CCN1CC(CNC(=O)c2cccc(OCC(N)=O)c2)C1 1031712631 FKXMKYWAUZRXQW-UHFFFAOYSA-N 301.346 -0.155 30 20 DBED C#CCN[C@@H]1CCN(C(=O)CN2C(=O)NC(C)(C)C2=O)C[C@H]1C 1036282879 RXJWYXKJSRRUII-VXGBXAGGSA-N 320.393 -0.223 30 20 DBED CN1CCN(CC(=O)N2CC[C@H]3[C@H](CCN3CC#N)C2)CC1=O 1036753328 OVACVQJFRQVVPJ-KGLIPLIRSA-N 319.409 -0.793 30 20 DBED C=C(C)CN1C[C@H]2C[C@H]1[C@H]2NC(=O)Cn1cnc(C(N)=O)n1 1037410504 AOLMJLDFNRPEAL-SCVCMEIPSA-N 304.354 -0.858 30 20 DBED O=C(Cc1cnoc1)NC[C@]1(O)CCN(C(=O)C#CC2CC2)C1 1040641570 JABGABALWTVJLF-MRXNPFEDSA-N 317.345 -0.290 30 20 DBED Cc1nc[nH]c1C(=O)N1CC[C@@](O)(CNC(=O)[C@@H](C)C#N)C1 1040769215 JKFIGCSJFZXVOI-LKFCYVNXSA-N 305.338 -0.429 30 20 DBED Cn1cc(C(=O)N[C@@H]2CN(c3ccnc(C#N)n3)C[C@H]2O)cn1 1040933234 AHJIWVPLJXJOJC-GHMZBOCLSA-N 313.321 -0.939 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@](O)(CNC(=O)Cc2nc[nH]n2)C1 1040972016 OHISHKUCBXAMCK-HNNXBMFYSA-N 321.381 -0.361 30 20 DBED C=C(C)C[C@H](C)C(=O)N1CC(O)(CNC(=O)CNC(C)=O)C1 1041216089 RIFPGWIYQJCBBG-NSHDSACASA-N 311.382 -0.586 30 20 DBED CSCC(=O)NCC1(O)CN(C(=O)c2c[nH]c(C#N)c2)C1 1041360276 VMEQAIYXWAWWQQ-UHFFFAOYSA-N 308.363 -0.448 30 20 DBED C=CCCCC(=O)N1CC(O)(CNC(=O)[C@H]2CCC(=O)N2)C1 1042071464 RKPAOBLWDDBYMH-LLVKDONJSA-N 309.366 -0.689 30 20 DBED CO[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1NC(=O)[C@H]1CCCO1 1042752086 FLCKEPJTEXIDMI-JHJVBQTASA-N 317.349 -0.153 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)Cc2ccc[nH]2)C1 1043290138 BQBAXULORGDPAT-UHFFFAOYSA-N 307.350 -0.551 30 20 DBED C=C[C@@H](C)[C@H](C)C(=O)NCC1(O)CN(C(=O)c2[nH]nnc2C)C1 1044985831 NBTNLRFJSZRCIJ-ZJUUUORDSA-N 321.381 -0.126 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)Cc2cnoc2)C1 1045113440 AHZLMJPNOAWUHO-NSHDSACASA-N 323.349 -0.502 30 20 DBED N#Cc1nccc(N2CC[C@@H]3CCN(C(=O)C(N)=O)C[C@@H]32)n1 1045191740 UFORZZVWHRLEBS-UWVGGRQHSA-N 300.322 -0.739 30 20 DBED C#CCN1CCC(C)(NC(=O)c2cn(C)c(=O)n(C)c2=O)CC1 1045576326 JSGDBBIWDCYXHG-UHFFFAOYSA-N 318.377 -0.699 30 20 DBED C=CCCC(=O)N(C)[C@H]1CN(C(=O)C[C@H]2COC(=O)C2)C[C@@H]1O 1048510168 IREXLPSSSCWRMB-AGIUHOORSA-N 324.377 -0.064 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)C2 1048568543 CTXRUYVKZUWPOF-RNJOBUHISA-N 318.377 -0.423 30 20 DBED N#CCN1C[C@H]2CN(C(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)C[C@H]2C1 1048940191 AKRMOVXYOMHDPV-RQJABVFESA-N 320.393 -0.287 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cn(C)c(O)n2)C1 1049428724 MUSXTPZHQWMHLR-RYUDHWBXSA-N 322.365 -0.264 30 20 DBED N#Cc1cnc(N2CC[C@@H]3CN(C(=O)C(N)=O)C[C@@H]3C2)c(F)c1 1049623449 IXYLWYFDJFFOPD-MNOVXSKESA-N 317.324 -0.138 30 20 DBED N#Cc1ccc(N2CC[C@@H](NC(=O)c3nc[nH]n3)[C@@H](O)C2)cn1 1051712288 LDNIWNDXJCJXEI-NEPJUHHUSA-N 313.321 -0.559 30 20 DBED CN1C(=O)CC[C@H]1C(=O)N1CC[C@@H](N2CCN(CC#N)CC2)C1 1052067034 CTDDNWVKDCHSSA-KGLIPLIRSA-N 319.409 -0.651 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)[C@H](C)n3cncn3)CO2)C1 1053782097 DZNVSJWKWUYDIS-STQMWFEESA-N 303.366 -0.178 30 20 DBED CC(C)N1C[C@H](C(=O)N[C@@H]2COC3(C2)CN(CC#N)C3)CC1=O 1053818578 ONMVETKMXDMDSC-OLZOCXBDSA-N 320.393 -0.274 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)c3cnn4ccncc34)CO2)C1 1053831316 ZLVHQJLCLZDODM-NSHDSACASA-N 312.333 -0.174 30 20 DBED N#CCN1CC[C@]2(CCCN(C(=O)Cn3cnnc3O)C2)C1 1054118170 COVZHROTNAPXPF-CQSZACIVSA-N 304.354 -0.178 30 20 DBED C=CCN[C@H]1CN(C(=O)CN2CCCS2(=O)=O)C[C@H]1C 1054715318 XWBBQFLSPYBDAG-NEPJUHHUSA-N 301.412 -0.356 30 20 DBED COC[C@@H](OC)C(=O)N1C[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2C1 1055451399 ZIIANGFIXUENLO-WUHRBBMRSA-N 309.366 -0.276 30 20 DBED CN1CCOC[C@H]1C(=O)N1CCN(c2ccc(C#N)nn2)CC1 1055753841 DVIGLBFPLLYDMJ-ZDUSSCGKSA-N 316.365 -0.673 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@](CO)(NC(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1056061436 IFNDRVAWFKHREI-LVYCXYHQSA-N 321.377 -0.492 30 20 DBED Cn1cncc1CC(=O)N[C@H]1[C@@H]2CN(c3cncc(C#N)n3)C[C@@H]21 1056252224 BLDLHUCLBWBOQS-VIKVFOODSA-N 323.360 -0.125 30 20 DBED Cc1cc(N2C[C@H]3C(NC(=O)c4nnn(C)n4)[C@@H]3C2)c(C#N)cn1 1056372042 GOLGPVZTTCOKEU-GHMZBOCLSA-N 324.348 -0.350 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)c1ccnn1CC 1057421829 IPTXPZTYRLPAKK-UHFFFAOYSA-N 324.381 -0.344 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)[C@H]1CCN(C)C1=O 1057445078 GQUCWPZLWHGGLP-CYBMUJFWSA-N 323.393 -0.795 30 20 DBED C=C[C@@H](C)[C@H](C)C(=O)NCCN(CCO)C(=O)c1ncn(C)n1 1057498463 DWRSUBGOCGZDAD-NEPJUHHUSA-N 323.397 -0.176 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)[C@@H]1CCCN1C 1057516871 BQEMSHCNKJSYFG-AWEZNQCLSA-N 309.410 -0.323 30 20 DBED N#Cc1cnccc1N1CC[C@H](NC(=O)[C@H]2COC(=O)N2)C1 1058350208 FSUXSKOXBUAKPK-WDEREUQCSA-N 301.306 -0.243 30 20 DBED N#Cc1nccnc1N1CC[C@H](NC(=O)[C@@H]2CCC(=O)N2)C1 1058408799 RPORMNMKQNXUDM-UWVGGRQHSA-N 300.322 -0.678 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)[C@H]1CCN(C)C1=O 1058451195 NDGCQMJFFZXLDL-ZDUSSCGKSA-N 323.393 -0.795 30 20 DBED Cc1cc(N2CC[C@H](NC(=O)[C@H]3CNC(=O)N3)C2)c(C#N)cn1 1058531084 GXPPPZDCBSYVGL-NWDGAFQWSA-N 314.349 -0.362 30 20 DBED C=CCCCC(=O)N(CCO)CCNC(=O)C(C)(C)C(N)=O 1058623498 UZIGRFKYUDGPNQ-UHFFFAOYSA-N 313.398 -0.209 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)c1ccnc(F)c1 1058653499 WMJCZZLPAIGJML-JTQLQIEISA-N 308.313 -0.069 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)CC[C@@H]1CCCN1C 1058661514 YJYKQMXAFZOXSB-KBPBESRZSA-N 324.425 -0.042 30 20 DBED C=C1CC(C)(C(=O)N(CCO)CCNC(=O)[C@H]2CCC(=O)N2)C1 1058770099 UJUINYDLEAJEBZ-GFCCVEGCSA-N 323.393 -0.442 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)[C@@]1(C)CCNC1=O 1058838754 JWWPTKQJYIIRGP-INIZCTEOSA-N 323.393 -0.891 30 20 DBED CC(C)C#CC(=O)N1CC[C@H](CCNC(=O)CNC(N)=O)C1 1059609367 VTEHMFUDPQAAOV-LBPRGKRZSA-N 308.382 -0.331 30 20 DBED C=CC(C)(C)CC(=O)N1CCOC[C@H]1CNC(=O)CC(N)=O 1061452913 IPHWNQXOGWFMHN-LLVKDONJSA-N 311.382 -0.192 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1COCCN1C(=O)Cn1ccnc1 1061573813 YOUINWSHCDIYTD-CQSZACIVSA-N 316.361 -0.360 30 20 DBED C#CCCCC(=O)NC[C@H]1CCCCN1C(=O)Cn1ncnn1 1062231015 PDSZYHSAIHWTJR-CYBMUJFWSA-N 318.381 -0.026 30 20 DBED CC(C)(C)C#CC(=O)NC1(CNC(=O)CNC(N)=O)CCC1 1062491378 BRWVGOCEEJBXMF-UHFFFAOYSA-N 308.382 -0.141 30 20 DBED CNC(=O)NCC(=O)NC1(CNC(=O)C#CC(C)C)CCC1 1062964523 CFHOWYSGHYSPMA-UHFFFAOYSA-N 308.382 -0.270 30 20 DBED N#Cc1ccc(NC[C@H]2CCCN2C(=O)[C@H]2C[C@H]2C(N)=O)nn1 1063559553 WJJOGYNAESPNLU-UTUOFQBUSA-N 314.349 -0.127 30 20 DBED N#Cc1nccnc1N1C[C@H]2C[C@H]1[C@H]2NC(=O)Cn1cccn1 1064216639 KQYKDLHGMVXTRR-OSMZGAPFSA-N 309.333 -0.062 30 20 DBED C#Cc1cncc(C(=O)NC2(CNC(=O)C(N)=O)CCC2)c1 1064293323 ZAXPBVUPHJTVSI-UHFFFAOYSA-N 300.318 -0.683 30 20 DBED N#Cc1nccnc1N1CCC[C@]2(CCN(C(=O)C(N)=O)C2)C1 1064567432 MYXYFHWSLYFZBO-HNNXBMFYSA-N 314.349 -0.348 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@H]1CN(C(=O)C(F)F)CCO1 1064717889 WAPCHPIUFANQOC-ZANVPECISA-N 306.309 -0.078 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)CN2CCCC2)C1 1065556514 IMTRKXURUQNEDG-STQMWFEESA-N 308.382 -0.415 30 20 DBED N#Cc1ccc(N2C[C@H]3CN(C(=O)c4cnon4)C[C@H]3C2)nn1 1066019799 DHVVWSBBRNWDGV-AOOOYVTPSA-N 311.305 -0.060 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H]1CCCN(C(=O)CC(N)=O)CC1 1066169889 NADBRKGHNMEMPQ-RYUDHWBXSA-N 309.366 -0.603 30 20 DBED N#Cc1cnc(N2CC[C@@H]3[C@@H]2CCCN3C(=O)C(N)=O)cn1 1066182479 DJZARAGJSHQWOP-WDEREUQCSA-N 300.322 -0.597 30 20 DBED C[C@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1Nc1ccc(C#N)cn1 1067042706 VQLKFZJVXNTISZ-JQWIXIFHSA-N 312.337 -0.101 30 20 DBED N#Cc1cncc(N2C[C@@H](O)[C@@H](CNC(=O)c3ccccn3)C2)n1 1067642548 GHNLNQUYQKMEOG-SMDDNHRTSA-N 324.344 -0.030 30 20 DBED N#Cc1cncc(N2C[C@H](O)[C@H](CNC(=O)c3ccc[nH]3)C2)n1 1067657179 XYORPRWMCNGFDK-MFKMUULPSA-N 312.333 -0.097 30 20 DBED N#Cc1cccnc1N1C[C@@H](O)[C@@H](CNC(=O)c2cnon2)C1 1067677373 CNIFKMYNTPJRNQ-CMPLNLGQSA-N 314.305 -0.437 30 20 DBED C=CCCC(=O)N[C@H]1COC2(C1)CN(C(=O)c1cn(C)nn1)C2 1068753525 PFNOUECPBCBAAE-LLVKDONJSA-N 319.365 -0.119 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)Cc2nc[nH]n2)C1 1070072032 YBFNQSWMBIRMBC-MNOVXSKESA-N 302.342 -0.834 30 20 DBED C=CCN[C@@H]1CN(C(=O)C[C@H]2COC(=O)C2)C[C@@H]1n1ccnn1 1070176503 DMJIOYKHHCTNPJ-UPJWGTAASA-N 319.365 -0.241 30 20 DBED N#Cc1c[nH]c(C(=O)N2CCC[C@@H](NC(=O)CC(N)=O)C2)c1 1070597039 FVIFRWXEEUEFJT-SNVBAGLBSA-N 303.322 -0.517 30 20 DBED N#CCN1C[C@H]2C[C@@H]3CN(C(=O)[C@@]4(F)CCOC4)C[C@@]3(C1)O2 1070843446 UEDHYHWLYKETDI-QHSBEEBCSA-N 309.341 -0.060 30 20 DBED C=CCCN1CCNC(=O)CCN(C(=O)c2cn(C)nn2)CC1 1070960970 FKDYFGWGHSCCKU-UHFFFAOYSA-N 320.397 -0.345 30 20 DBED C=CCN1CC[C@@]2(C1)CN(C(=O)Cn1cnnn1)C[C@@H](C)O2 1071134290 PMTWCKJJMRFXCG-TZMCWYRMSA-N 306.370 -0.449 30 20 DBED C#CCN1CC[C@]2(C1)CN(C(=O)CN1CCOCC1)C[C@@H](C)O2 1071157450 YWPTXXBYGKTWDM-WBVHZDCISA-N 321.421 -0.356 30 20 DBED C#CCOCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1072094748 WFHDNKAGEDKFAI-NJURLYQPSA-N 320.389 -0.118 30 20 DBED C[C@H](C#N)C(=O)NC1(C)CCN(C(=O)[C@H]2CCNC2=O)CC1 1073182139 MJAGFVIFCDZXIN-MNOVXSKESA-N 306.366 -0.221 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)c2cc(=O)n(C)cn2)C1 1073642401 MIJGTBHKLNUSHY-GFCCVEGCSA-N 304.350 -0.766 30 20 DBED CC#CCN1CCCO[C@@H](CNC(=O)c2cnc(O)n2C)C1 1073729647 SEHHVMOVBUOYAH-LBPRGKRZSA-N 306.366 -0.030 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2CN(CC(N)=O)CCCO2)cn1 1073866180 TZUAHVSSRISVIU-CQSZACIVSA-N 316.361 -0.631 30 20 DBED C=CCOCC(=O)N1CCC(O)(CNC(=O)[C@H](C)C#N)CC1 1074515630 JJSPKCVUELBBNI-GFCCVEGCSA-N 309.366 -0.182 30 20 DBED C=CCOCC(=O)N1CCC(O)(CNC(=O)COC)CC1 1074515988 VAABYNXQBSKOHC-UHFFFAOYSA-N 300.355 -0.695 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CCN(C(=O)c2ccn(C)n2)CC1 1074593158 IVPWDECJCJRDTJ-NSHDSACASA-N 319.365 -0.337 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H](N[C@H](C)C(N)=O)[C@@H]2C)nn1 1074949431 AMWJFQSEVFFLGX-VWYCJHECSA-N 306.370 -0.470 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC[C@H](C)NC(=O)COCCOC 1076300689 QUAPQGUBVMDKFO-SWLSCSKDSA-N 316.398 -0.013 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCCS2(=O)=O)C1 1077121376 UUNGQCLULSCYIT-JHJVBQTASA-N 316.423 -0.309 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN(C(N)=O)C2)C1 1077337046 SWAQTXDHDZWDFG-JHJVBQTASA-N 310.398 -0.486 30 20 DBED N#Cc1ccc(CN2C[C@@H](O)[C@H](NC(=O)c3nc[nH]n3)C2)s1 1077863926 YLNYYONHVSQSTF-GHMZBOCLSA-N 318.362 -0.287 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)Cn2nc(C)c(Cl)c2C)C1 1078190253 UBZAGBQBZJOFEP-VXGBXAGGSA-N 310.785 -0.052 30 20 DBED C#CCN1C[C@@H](NC(=O)C2CC3(C2)NC(=O)NC3=O)[C@H](C)C1 1080600795 SKBOWJCMISWQDB-GPZIFOQPSA-N 304.350 -0.956 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CO)(NC(=O)c2cccnn2)CC1 1080965480 JEUZRTVZYHGFEG-LLVKDONJSA-N 317.349 -0.280 30 20 DBED C[C@H](C#N)C(=O)NC1(CO)CCN(C(=O)[C@H]2CCCN2C)CC1 1080980633 ZGJBHMWGYUHAGL-CHWSQXEVSA-N 322.409 -0.290 30 20 DBED C#CCCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CN2CCCC2)C1 1081499402 LHHNZMHQTUDCNF-LSDHHAIUSA-N 321.421 -0.179 30 20 DBED C=C(Cl)CN1C[C@@H](NC(=O)Cn2ncnn2)[C@H](OC)C1 1081672767 JNKZVMOTXJKDMU-NXEZZACHSA-N 300.750 -0.759 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(Cc2cnon2)C[C@H]1OC 1082149986 ZVLUFXGKMYOWLB-YIYPIFLZSA-N 322.365 -0.024 30 20 DBED C#CCN1C[C@@H](NC(=O)c2nc3ncccn3n2)[C@H](OC)C1 1082255362 JBCIYDJVCRMULT-GHMZBOCLSA-N 300.322 -0.814 30 20 DBED C#Cc1cncc(C(=O)N2CCCC[C@H]2CNC(=O)C(N)=O)c1 1082284236 WPZFIONBVGWJEY-ZDUSSCGKSA-N 314.345 -0.341 30 20 DBED C=C(Cl)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)Cn1nccn1 1083094728 UBXKODDIYVGBKL-NWDGAFQWSA-N 311.773 -0.058 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CCCN1C(C)=O 1083286666 WNIAXNLOWFLIER-QLFBSQMISA-N 305.378 -0.458 30 20 DBED CCCC(=O)N1CCC[C@H](C(=O)N[C@@H]2CN(CC#N)C[C@@H]2O)C1 1084085505 YLTWDTZTOXEDGJ-MJBXVCDLSA-N 322.409 -0.290 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)[C@@H]3CCCS3(=O)=O)C[C@@H]2C1 1088206289 KQEDGZDSQUDVNA-RDBSUJKOSA-N 310.419 -0.023 30 20 DBED CN1CCN(CC(=O)N2CCCCC[C@@H](NCC#N)C2)CC1=O 1088339054 VORZNPVQGCAZLI-CQSZACIVSA-N 321.425 -0.355 30 20 DBED C[C@@H](C[C@@H](C)N=c1cc[nH]c(C#N)n1)NC(=O)Cn1cncn1 1089317075 WHOYGVXXOGKWBJ-MNOVXSKESA-N 314.353 -0.243 30 20 DBED C[C@H](C[C@@H](C)NC(=O)c1cnn(C)n1)N=c1cc[nH]c(C#N)n1 1089348631 KXRDUHVHGDDHRS-NXEZZACHSA-N 314.353 -0.092 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2ccnc3ccnn23)[C@H](O)C1 1090324556 XFRLBOBQSFTQIZ-TZMCWYRMSA-N 313.361 -0.082 30 20 DBED C=CCCn1cc(C(=O)N[C@H]2CCN(CCF)C[C@@H]2O)nn1 1090637891 MKOWKYYXWWBZRH-AAEUAGOBSA-N 311.361 -0.011 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(c2ccc3nnnn3n2)C[C@H]1C 1090669792 FMWJDUCDMDLCBT-GHMZBOCLSA-N 317.353 -0.337 30 20 DBED CO[C@H](C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O)C1CC1 1091099678 SESAKJHFWYNMKY-DYEKYZERSA-N 317.349 -0.561 30 20 DBED CO[C@H](C(=O)NCCNc1cnc(C#N)cn1)c1cnn(C)c1 1094012123 YCHBXHSDZTXLBB-ZDUSSCGKSA-N 315.337 -0.002 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)C3=COCCO3)CC2=O)C1 1094694076 XDUHUMAAEPGHPJ-LLVKDONJSA-N 307.350 -0.538 30 20 DBED N#Cc1c[nH]ccc1=NCCCNC(=O)[C@H]1CCC(=O)NC1 1094884743 WENWITBPXSHEJS-NSHDSACASA-N 301.350 -0.180 30 20 DBED C#CCN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1CC(=O)NC(=O)C1)C2 1095015704 BDXCWQJCUXUWQZ-UHTWSYAYSA-N 303.362 -0.359 30 20 DBED CCN(CCCNC(=O)[C@@H]1CNC(=O)N1)c1ncccc1C#N 1095959962 KBOCUGTVPLVCOW-LBPRGKRZSA-N 316.365 -0.033 30 20 DBED N#Cc1nc(=N[C@H](CNC(=O)C2(C(N)=O)CC2)C2CC2)cc[nH]1 1096795741 UIWZOBDTPUIISY-SNVBAGLBSA-N 314.349 -0.658 30 20 DBED CNC(=O)NCC(=O)N[C@H]1C[C@@H](Nc2cncc(C#N)n2)C1 1097258379 JNKUNCNECDZUTG-DTORHVGOSA-N 303.326 -0.664 30 20 DBED N#Cc1c[nH]ccc1=NC1CCC(NC(=O)CNC(N)=O)CC1 1097612252 SFZXIVUDZBTRQK-UHFFFAOYSA-N 316.365 -0.117 30 20 DBED C[C@@H](CNC(=O)[C@]1(C)CCNC(=O)C1)N=c1cc[nH]c(C#N)n1 1098395310 NBMXUXDUWGELQU-ZUZCIYMTSA-N 316.365 -0.397 30 20 DBED CNC(=O)NCCC(=O)N1C[C@H]2CC[C@H]1[C@@H]1CN(CC#N)C[C@@H]21 1099468095 JCQRHMJFMDUTQT-RQJABVFESA-N 319.409 -0.002 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CNC(=O)c2ccoc2)[C@@H](O)C1 1099844039 AUVRSPWERYLVJV-KGLIPLIRSA-N 319.361 -0.416 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2cncn2C)[C@H](O)C1 1099907679 ZPLLDDQLQBFVIS-TZMCWYRMSA-N 306.366 -0.765 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2cccnn2)[C@@H](O)C1 1100041607 LQGVGCZWIUPKHA-OCCSQVGLSA-N 304.350 -0.709 30 20 DBED CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NCCN(C)c1cncc(C#N)n1 1100347830 TZFRFHSRFZMYDQ-NWDGAFQWSA-N 316.365 -0.375 30 20 DBED CC(=O)N[C@H](C)C(=O)NC[C@H]1CCN(c2ccnc(C#N)n2)C1 1100921011 AMHPSGWYVWIFDZ-ZYHUDNBSSA-N 316.365 -0.185 30 20 DBED C#CCN1C[C@@H](C)[C@H](CNC(=O)CN2CC(=O)N(C)C2=O)C1 1102509978 IUFUHLXIVOQMLD-VXGBXAGGSA-N 306.366 -0.802 30 20 DBED CC[C@H](CNC(=O)CS(C)(=O)=O)Nc1cnc(C#N)cn1 1102997066 AQRRCGUMQIDSLY-SECBINFHSA-N 311.367 -0.300 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)[C@@H]1CCN(C)C1=O 1104158950 FXBONBFYHVHMKQ-MNOVXSKESA-N 316.365 -0.587 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)[C@H]1COC(=O)N1 1104546194 ZGOVEJLXLZGSDL-RKDXNWHRSA-N 304.310 -0.863 30 20 DBED C[C@H](CN=c1cc[nH]cc1C#N)N(C)C(=O)[C@@H]1CCC(=O)N1 1104643008 WSIFMWLWRGZOKE-MFKMUULPSA-N 301.350 -0.087 30 20 DBED CC(C)[C@H](CNC(=O)CCNC(N)=O)N=c1cc[nH]cc1C#N 1105182747 RJJAISVLEHPUFS-ZDUSSCGKSA-N 318.381 -0.014 30 20 DBED Cc1cc(CC(=O)N2CC(n3cc(CNCC#N)nn3)C2)no1 1105194769 IHJLTXRVMOGNET-UHFFFAOYSA-N 315.337 -0.186 30 20 DBED Cc1ncc(C(=O)NC[C@@H](O)CN=c2cc[nH]c(C#N)n2)s1 1105740414 YRAXCZKXYZFETE-VIFPVBQESA-N 318.362 -0.262 30 20 DBED COCc1nc(NC[C@H](O)CNC(=O)[C@H](C)C#N)cc(OC)n1 1105774423 RVERASMECZJQGK-ZJUUUORDSA-N 323.353 -0.320 30 20 DBED N#Cc1nc(=NC[C@@H](O)CNC(=O)c2ccc(F)cn2)cc[nH]1 1105800070 FVAPWIKYGZZEDQ-SNVBAGLBSA-N 316.296 -0.493 30 20 DBED Cc1[nH]nc(C(=O)NC[C@@H](O)CNc2ncccc2C#N)c1O 1105820324 WDZWRDKVONDKQP-JTQLQIEISA-N 316.321 -0.107 30 20 DBED CN1CC[C@@H](C(=O)NC[C@@H](O)CNc2ncccc2C#N)C1 1105853363 MRXWIMIONSZOCB-OLZOCXBDSA-N 303.366 -0.206 30 20 DBED C#CCCN1CC(n2cc(CNC(=O)COCCOC)nn2)C1 1107149869 TZUPHKYBDMMDOR-UHFFFAOYSA-N 321.381 -0.563 30 20 DBED C#CCO[C@H](C)C(=O)NCc1cn(C2CN(CCOC)C2)nn1 1107169435 HVIYICAZEGNXGP-GFCCVEGCSA-N 321.381 -0.564 30 20 DBED N#Cc1cnc(NC/C=C/CNC(=O)CCNC(N)=O)cn1 1107190254 UTISQDZTJWIKIA-OWOJBTEDSA-N 303.326 -0.509 30 20 DBED C[C@@H](CC(N)=O)C(=O)NC/C=C\CN=c1cc[nH]c(C#N)n1 1107450005 BADSXCOVHCSGIP-ZMWSMAPVSA-N 302.338 -0.634 30 20 DBED C[C@@]1(CNC(=O)COC[C@@H]2CCCO2)CN(CC#N)CCO1 1108441797 SLDCRBAXYUSBKV-DZGCQCFKSA-N 311.382 -0.087 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)CN(C)CCC)CC2=O)C1 1108587909 YARNCGAGSZNYNE-ZDUSSCGKSA-N 306.410 -0.637 30 20 DBED CC(=O)N[C@@H](C)C(=O)N[C@@H](C)CN(C)c1cncc(C#N)n1 1108818456 NWEPPJUPYXFRHX-UWVGGRQHSA-N 304.354 -0.186 30 20 DBED C[C@H](CN(C)c1cnc(C#N)cn1)NC(=O)CCCC(N)=O 1109011623 BCNUHEDAEZCXFO-SNVBAGLBSA-N 304.354 -0.055 30 20 DBED CO[C@@H](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1109051696 GXMGVLNPUDZWGW-RNJOBUHISA-N 308.382 -0.227 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H]1OCC[C@H]1C 1109735815 YKJXEZVIQNOYGJ-NJURLYQPSA-N 319.405 -0.118 30 20 DBED C[C@H](C#N)C(=O)N[C@H](CNc1nccn2nnnc12)C1CC1 1109796166 QBRGRKWCFGVRTC-PSASIEDQSA-N 300.326 -0.014 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1O 1112721265 XIHJESHVQMYUDV-TZMCWYRMSA-N 313.361 -0.079 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)CC2CCOCC2)CC1 1112732430 KVFHCRZLHQPWFL-UHFFFAOYSA-N 308.382 -0.413 30 20 DBED C#CCOCCC(=O)N1CCN([C@@H]2CCN(CC)C2=O)CC1 1112843943 NSTRZWMUGWPGPJ-CQSZACIVSA-N 307.394 -0.209 30 20 DBED C[C@@H](NC(=O)CS(C)(=O)=O)[C@@H](C)Nc1ccc(C#N)nn1 1112925412 FMCOIWGHZGWRQP-RKDXNWHRSA-N 311.367 -0.302 30 20 DBED C[C@H](Nc1ccc(C#N)nn1)[C@@H](C)NC(=O)Cn1cncn1 1113031466 PYMQEYPNJHQSFZ-VHSXEESVSA-N 300.326 -0.055 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)c2oncc2C)CC1 1113490077 XUCOYULIUWWVBY-LBPRGKRZSA-N 304.350 -0.121 30 20 DBED C[C@H](CNC(=O)[C@H]1CN(C)CCO1)N(C)c1nccnc1C#N 1113533618 IRSTWZZDBQYHJI-DGCLKSJQSA-N 318.381 -0.380 30 20 DBED CCCCO[C@H](C)C(=O)NC1[C@H]2CN(CC(=O)NCC#N)C[C@H]12 1113999537 PUZKHGFTPZDGPB-AGIUHOORSA-N 322.409 -0.122 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)C3CN(C(C)=O)C3)[C@H]2C1 1114182329 KBXFXCCALFTTDG-FICVDOATSA-N 305.378 -0.839 30 20 DBED CC(=O)NCC(=O)NCC1[C@H]2CN(c3ccncc3C#N)C[C@H]12 1114502914 CMKJOHOAUVLQHM-ZIAGYGMSSA-N 313.361 -0.112 30 20 DBED CC#CCN1C[C@@H]2C(NC(=O)CCCN3C(=O)CNC3=O)[C@H]2C1 1115218644 HSSRLIQUCDWYGU-RYUDHWBXSA-N 318.377 -0.612 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CCO[C@H](COCC)C1 1119155559 HXZPGTDZJBSLSW-NEPJUHHUSA-N 300.355 -0.433 30 20 DBED N#Cc1c[nH]ccc1=N[C@H](CO)CNC(=O)[C@H]1CCCOC1 1121197625 KFJSHGKMHHNRJT-AAEUAGOBSA-N 304.350 -0.309 30 20 DBED CCn1nccc1C(=O)NC[C@@H](CO)Nc1cnc(C#N)cn1 1121378153 SPIPFOOSMNGQIH-NSHDSACASA-N 315.337 -0.233 30 20 DBED N#Cc1c(F)cccc1N[C@@H](CO)CNC(=O)Cn1cncn1 1121536372 PHGYRGDAQRRHKF-SNVBAGLBSA-N 318.312 -0.122 30 20 DBED N#Cc1nc(=N[C@H](CO)CNC(=O)Cc2cscn2)cc[nH]1 1122652296 MRVKIBSUCQTBEU-JTQLQIEISA-N 318.362 -0.642 30 20 DBED CN(C[C@H](O)CNc1cnc(C#N)cn1)C(=O)[C@@H]1CCCO1 1124066400 VMFWJQYQMGAZBM-NEPJUHHUSA-N 305.338 -0.242 30 20 DBED Cc1nn[nH]c1C(=O)N(C)C[C@H](O)CNc1ncccc1C#N 1124633386 IKQSRUQKIOKKTR-LLVKDONJSA-N 315.337 -0.075 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCNCCNC(=O)NC(C)C 1126378155 ILVAIQDLMYXGTP-CQSZACIVSA-N 300.403 -0.273 30 20 DBED C#CCO[C@H](C)C(=O)NCCNCc1nnc2n1CCCC2 1127039165 FCLUGNHOPKWJRQ-GFCCVEGCSA-N 305.382 -0.142 30 20 DBED C#CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)CC2(O)CCC2)C1 1128990068 YYHYZFIRCBEGLN-KGLIPLIRSA-N 317.393 -0.052 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1n[nH]c2c1CCCC2 1130743360 WPPFMRXGJYJBJG-LLVKDONJSA-N 317.393 -0.254 30 20 DBED CO[C@H](C)C(=O)NCc1nc([C@H]2COCCN2CC#N)n[nH]1 1130835034 JDSWRJMNBSWFQL-NXEZZACHSA-N 308.342 -0.647 30 20 DBED C=CCOCCNCCNC(=O)c1cc2c(=O)[nH]c(C)cn2n1 1131835052 LPKODVLSTVMHLK-UHFFFAOYSA-N 319.365 -0.147 30 20 DBED C#CCN1C[C@H](NC(=O)CS(=O)(=O)CCOC)CC[C@@H]1C 1132141740 UFTKQLKRJVUAIE-QWHCGFSZSA-N 316.423 -0.350 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2cncn2C)CC[C@H]1C 1132156416 FDPCZYCNFGJQIF-OLZOCXBDSA-N 317.393 -0.248 30 20 DBED CN1C[C@@H](C(=O)NCCNCc2cc(F)ccc2C#N)NC1=O 1132382214 DYEFRNKYWPCWSD-ZDUSSCGKSA-N 319.340 -0.073 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)C1(CF)CCOCC1 1133862136 ATDPANFPTMRTAW-GFCCVEGCSA-N 313.373 -0.404 30 20 DBED C=CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)c1cnnc(O)c1 1134674364 ARWUOICBXCYHCB-QWRGUYRKSA-N 321.381 -0.029 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCN[C@H](C)c1nnnn1C 1135142228 LUMDSYYGPNZJLW-WOPDTQHZSA-N 308.386 -0.042 30 20 DBED C#CCCN1CCC2(C1)CN(C(=O)CCNC(=O)COC)C2 1147665672 PZOGTXXYGLSNJH-UHFFFAOYSA-N 307.394 -0.303 30 20 DBED N#CCN1CCCO[C@H](CNC(=O)COC[C@H]2CCOC2)C1 1150394933 NOZPDYGHKOYCOO-UONOGXRCSA-N 311.382 -0.230 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CCc2nncn2C1 1152162519 XXUMFZMEEWUAAS-VXGBXAGGSA-N 320.397 -0.763 30 20 DBED C#CCCN(CC)[C@H](C)CNC(=O)Cn1ccc(O)nc1=O 1154205931 ZDLFHXRSQRPFME-GFCCVEGCSA-N 306.366 -0.201 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)COCCOC)C1=O 1155867235 FRMDWPFZLOAXDS-ZDUSSCGKSA-N 313.398 -0.468 30 20 DBED C#CCN1CCC(CNC(=O)CNC(=O)CC)(COC)CC1 1162170682 CUMOHGAGNSWJQS-UHFFFAOYSA-N 309.410 -0.009 30 20 DBED COCC1(CNC(=O)[C@@H](C)CC(N)=O)CCN(CC#N)CC1 1162402003 YZOXQVSGDZQFJZ-LBPRGKRZSA-N 310.398 -0.134 30 20 DBED C#CCNC(=O)CC(=O)NCCCCCCNCC(=O)NCC 1178263044 XVUOZSRGLFIHLB-UHFFFAOYSA-N 324.425 -0.472 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)c2cnon2)[C@H]1C 1179750137 ADCCCWRCFMMCIR-VWYCJHECSA-N 305.338 -0.600 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2[nH]c(C)nc2C)C1 1185724232 VJGYKLZBIPKOFC-WCQYABFASA-N 317.393 -0.031 30 20 DBED C=CCn1cc(C(=O)N2CC[C@@H](N[C@H](C)C(=O)NC)C2)nn1 1186177994 SFUCGMOTARLLJZ-GHMZBOCLSA-N 306.370 -0.597 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2c(C)cnn2C)C1 1191789062 BWYXWBPRTFNRSG-CYBMUJFWSA-N 317.393 -0.376 30 20 DBED CCCc1nc(CN2C[C@@H](O)[C@H](NC(=O)[C@H](C)C#N)C2)no1 1191853919 HDUFWODWQKUNAH-GMTAPVOTSA-N 307.354 -0.157 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CN(C[C@@H]2CCc3ncnn32)C[C@H]1O 1192826845 JPBFAILOVQQDTK-BFHYXJOUSA-N 315.377 -0.660 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2snnc2C)C[C@H]1O 1192891233 JRJNMJWOLBUEOP-IJLUTSLNSA-N 324.406 -0.454 30 20 DBED C#CCCOc1ccc(C(=O)N[C@@H]2CN(CCO)C[C@H]2O)cc1 1192899134 IVQAEFMCIVGUSI-HZPDHXFCSA-N 318.373 -0.144 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)C[C@H](C)NC(N)=O)C1 1192940609 PYGCDGOTIXMGEW-IVZWLZJFSA-N 304.778 -0.653 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)COc2c(C)occc2=O)C1 1194594202 RNXLXUUNHJRINE-DGCLKSJQSA-N 308.334 -0.326 30 20 DBED COCC#CCN[C@H](CNC(=O)C(N)=O)c1ccccc1OC 1198865841 NTDABVYUKSQMIJ-CYBMUJFWSA-N 319.361 -0.423 30 20 DBED C=CCCCN1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC(=O)NC2=O)C1 1199566894 HQWCCIXTVFVLNA-IJLUTSLNSA-N 309.366 -0.833 30 20 DBED C#CCNC(=O)CNC[C@H]1CN(C(=O)[C@@H]2CCCO2)CCCO1 1199762675 OEQZDFGDJSVGBL-KBPBESRZSA-N 323.393 -0.878 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCC(NCCN2CCNC2=O)CC1 1200334521 RCEWLKPRPNIFGF-INIZCTEOSA-N 324.425 -0.081 30 20 DBED C#CCOCCC(=O)N1CCC(NCCS(C)(=O)=O)CC1 1200523452 SJGLVJBHRDASHU-UHFFFAOYSA-N 316.423 -0.349 30 20 DBED C=CCNC[C@H]1CN(C(=O)COCc2ncnn2C)CCCO1 1201759512 VWELARVPPWOMLY-ZDUSSCGKSA-N 323.397 -0.275 30 20 DBED CC(=O)N[C@@H](C(=O)N1CCCO[C@H](CNCC#N)C1)C(C)C 1201901363 RCVZVHWOSULNHG-ZIAGYGMSSA-N 310.398 -0.122 30 20 DBED C=CCNC[C@H]1CN(C(=O)[C@@H]2CCCN2C(N)=O)CCCO1 1202236168 QGWMGKRPZPEENH-STQMWFEESA-N 310.398 -0.077 30 20 DBED N#CCNC(=O)CN[C@H]1C[C@@H](NC(=O)c2ccon2)C12CCC2 1202560558 DXYHCEWQUHHSBX-NWDGAFQWSA-N 317.349 -0.055 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)CCOCC#C)[C@H](C)C1 1206958016 VZQDZWCTMMFTDU-QLFBSQMISA-N 319.405 -0.399 30 20 DBED COCC#CCN[C@@H]1CCCN(C(=O)[C@H]2CCN(C)C2=O)C1 1209119540 AMRRLSHPGRIHSR-KGLIPLIRSA-N 307.394 -0.305 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2nncs2)C[C@H]1OC 1212264738 QJBKDZXQSRJGHA-QJPTWQEYSA-N 324.406 -0.108 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)C(C)(C)C)[C@H](OC)C1 1213759356 HJYGOYWZKOTWEK-JHJVBQTASA-N 309.410 -0.014 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)[C@@H](C)S(C)(=O)=O)C[C@H]1C 1214970677 AHSCPOUTSWBLAU-JHJVBQTASA-N 316.423 -0.494 30 20 DBED CCO[C@@H](C)C(=O)N1CCO[C@@H]2CN(CC#CCOC)C[C@@H]21 1217348897 FTXLUNNAAFTECU-SOUVJXGZSA-N 310.394 -0.027 30 20 DBED CC(C)c1n[nH]c(CN2C[C@H](O)[C@H](NC(=O)[C@@H](C)C#N)C2)n1 1219379683 WLCCTQGFENZWFY-AXFHLTTASA-N 306.370 -0.251 30 20 DBED C=CCCOCCCCC(=O)N[C@@H]1CN(CC(N)=O)C[C@@H]1O 1219621114 XHAVIGZCBSFZMT-OLZOCXBDSA-N 313.398 -0.604 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)CNC(=O)c2ccncc2)C1 1219672206 JJNLQONALRYHFO-KGLIPLIRSA-N 318.377 -0.451 30 20 DBED C=C[C@@H](CC)CC(=O)N[C@@H]1CN(CCOCCO)C[C@@H]1O 1220198470 RPRGAMNYVYVINV-MJBXVCDLSA-N 300.399 -0.241 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)CNC(=O)CCC2CCCC2)C1 1220553922 YEFIZVCTYRYRKM-CABCVRRESA-N 321.421 -0.133 30 20 DBED COCC#CCN1CC[C@@H]2CN(C(=O)c3cnn(C)n3)[C@@H]2C1 1221869133 YONNGHCTVZCMSC-TZMCWYRMSA-N 303.366 -0.389 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CCN(CCOCCO)[C@H]2C1 1222675704 BOTMJZOAWYMFES-XHSDSOJGSA-N 324.421 -0.044 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)c2cnnn2C)CC1 1223020607 KPKXOKIDWRWOJL-UHFFFAOYSA-N 318.381 -0.994 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCCC[C@H]1N[C@H]1CCNC1=O 1226178030 DCOXIAZMJDZUML-MCIONIFRSA-N 307.394 -0.068 30 20 DBED CC#CCN[C@@H]1CCCC[C@H]1NC(=O)Cn1cnc(C(N)=O)n1 1226334479 UODUNFLXRBUDKN-VXGBXAGGSA-N 318.381 -0.583 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)c2nnn(C)c2C)CC1 1226709222 WEARGNAJDOUJOH-UHFFFAOYSA-N 320.397 -0.380 30 20 DBED C#CCNC(=O)CC(=O)NC1CCN(C[C@@H]2CCOC2)CC1 1226993365 DGPAEWKLRKDVLW-ZDUSSCGKSA-N 307.394 -0.257 30 20 DBED CN(C[C@H]1CCN1Cc1nc(O)n[nH]1)C(=O)CSCC#N 1230815781 SGQKKCFZTFEDCW-SECBINFHSA-N 310.383 -0.200 30 20 DBED C=CCNC(=O)NC(=O)CN1CC[C@@H]1CN(C)C(=O)[C@@H](C)C#N 1231249086 YNBVRXJUNMVIBZ-NWDGAFQWSA-N 321.381 -0.309 30 20 DBED CC1CCN([C@@H](C)CNC(=O)C(=O)N2CCO[C@H](C#N)C2)CC1 1322519393 FDWYFUWDRXFVGG-UONOGXRCSA-N 322.409 -0.026 30 20 DBED C=C(C)COCCNC(=O)NCC1(O)CCS(=O)(=O)CC1 1323619316 LLIQWMGLLXHWDY-UHFFFAOYSA-N 320.411 -0.182 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N(CC)CCCN(C)C)nn1 1325947964 QDTWZMKFSMQCFQ-UHFFFAOYSA-N 322.413 -0.120 30 20 DBED C#CCOCCNC(=O)C(=O)NCc1ccc(OCC#N)cc1 1326409158 VUOHHXXVUNSDIH-UHFFFAOYSA-N 315.329 -0.029 30 20 DBED C#CCN1CCC[C@@H](NC(=O)N2CCO[C@H](C(=O)NC)C2)C1 1330933207 CGEDUGFGISDUCB-OLZOCXBDSA-N 308.382 -0.760 30 20 DBED CS(=O)(=O)NCCC(=O)NCc1ccc(C(=O)NO)cc1 1333300012 QUMRLFLITFXMIO-UHFFFAOYSA-N 315.351 -0.639 30 20 DBED N#CCC1(CNC(=O)C(=O)N2CCN([C@@H]3CCOC3)CC2)CC1 1334210244 SOBITWHWBQHXMA-CYBMUJFWSA-N 320.393 -0.270 30 20 DBED C#Cc1ccc(C(=O)NN2C(=O)[C@@H]3[C@H]4C=C[C@@H](O4)[C@@H]3C2=O)nc1 1336035068 RFZXJZYLGQYNGS-LPWJVIDDSA-N 309.281 -0.354 30 20 DBED C=CCn1c([C@@H](C)CO)nnc1N1C[C@H]2C(=O)N(C)C(=O)[C@H]2C1 1342299661 QDRZBIRSPPFOLX-GARJFASQSA-N 319.365 -0.389 30 20 DBED N#Cc1ccccc1OCC(=O)NC[C@]1(O)CCS(=O)(=O)C1 1362565112 SPWPFCIZYJGRNW-CQSZACIVSA-N 324.358 -0.397 30 20 DBED Cc1c(C#N)c(=O)n(CC(=O)N(C)Cc2ccco2)c(=O)n1C 1363755076 TVPMVHJOZXRQHA-UHFFFAOYSA-N 316.317 -0.021 30 20 DBED COC(=O)C1(C#N)CCN(C(=O)NCCS(C)(=O)=O)CC1 1365558056 YTGIDINTSXZXSA-UHFFFAOYSA-N 317.367 -0.481 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@]1(C)CCC(=O)N1 1365711917 JMIHEZNBDCTMEK-PWSUYJOCSA-N 302.400 -0.029 30 20 DBED N#Cc1cn(CCNC(=O)NC[C@@H]2CCSC2)c(=O)nc1O 1369744972 WFCKRHAIPWFPNF-VIFPVBQESA-N 323.378 -0.127 30 20 DBED CC(C)OCC(=O)N[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1O 1371449872 PDNGWQVIKWIJEX-CHWSQXEVSA-N 320.349 -0.387 30 20 DBED C[C@H](CNC(=O)[C@H](C)C#N)NC(=O)c1ccn(CCN(C)C)n1 1373076618 WHJHVJIYDXSZMM-VXGBXAGGSA-N 320.397 -0.161 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCN(C)C(=O)[C@H]1CCCS1(=O)=O 1391845868 UVXJHVUQJQKJIY-WDEREUQCSA-N 315.395 -0.360 30 20 DBED N#Cc1ccc(C(=O)NC[C@H](O)CNC(=O)c2cscn2)[nH]1 1399793705 JWVVRBGCVSTLIW-VIFPVBQESA-N 319.346 -0.136 30 20 DBED C=C(Br)CNC[C@H](O)CNC(=O)[C@@H]1COCCO1 1406186963 KBSKSWQUMVCYKF-UWVGGRQHSA-N 323.187 -0.623 30 20 DBED CCN(CCC#N)C(=O)CNC[C@H](C)NC(=O)C1=COCCO1 1406447965 ZWYIVFOUVNVAAZ-LBPRGKRZSA-N 324.381 -0.269 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H](CNC(=O)CN1CCCC1=O)C1CC1 1414828761 ZCKFDALVANGPSZ-JQWIXIFHSA-N 306.366 -0.221 30 20 DBED C[C@H](CCNC(=O)c1ncn(C)n1)NC(=O)c1c[nH]c(C#N)c1 1415384834 VLBHYHWVZBGUTC-SECBINFHSA-N 315.337 -0.047 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C)C(=O)[C@@H]1CCc2nnc(O)n2C1 1415595834 ACIYAFQRYSGKJW-VHSXEESVSA-N 320.353 -0.720 30 20 DBED N#Cc1c[nH]c(C(=O)NC2(CNC(=O)[C@H]3COC(=O)N3)CC2)c1 1417132315 SYNIWMCKAFPDFU-SNVBAGLBSA-N 317.305 -0.627 30 20 DBED N#Cc1c[nH]c(C(=O)NCC2(O)CN(Cc3nncs3)C2)c1 1421430055 XZNIKLFCNKWTTA-UHFFFAOYSA-N 318.362 -0.285 30 20 DBED C=C(Cl)CN1CC(O)(CNC(=O)c2cc(OC)n(C)n2)C1 1421462173 KPKSHKKUXQABLK-UHFFFAOYSA-N 314.773 -0.042 30 20 DBED C[C@H](C#N)C(=O)NCC1CCN(C(=O)c2cn(C)nn2)CC1 1429702798 NZYLTZBFLFGQLA-SNVBAGLBSA-N 304.354 -0.057 30 20 DBED C[C@H](CCNC(=O)c1cccn2nnnc12)NC(=O)[C@H](C)C#N 1431014515 WSHUCIYKUJEEFU-NXEZZACHSA-N 315.337 -0.091 30 20 DBED C[C@@H](C#N)C(=O)NC[C@]1(C)CCN(C(=O)Cn2cncn2)C1 1432712939 ZPWUTLGYRSMNSO-FZMZJTMJSA-N 304.354 -0.207 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@H](NCC(=O)NC[C@H]2CCCO2)C1 1436885561 JCMMTQSCNZIVIG-FDYHWXHSSA-N 308.382 -0.322 30 20 DBED CCn1cc(C(=O)NC[C@]2(O)CCN(C(=O)[C@H](C)C#N)C2)cn1 1454083043 PIKGSFMREVRTEC-IAQYHMDHSA-N 319.365 -0.244 30 20 DBED N#Cc1cncc(S(=O)(=O)N2CC[C@H]3OCC(=O)N[C@@H]3C2)c1 1463836829 OGEYKTNEECXPQS-VXGBXAGGSA-N 322.346 -0.769 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](C1CC1)N(C)C(=O)Cn1cncn1 1487685482 YJIZNPDUUGNAPL-JQWIXIFHSA-N 304.354 -0.209 30 20 DBED C#CCNC(=O)CN1CCC[C@@H](NC(=O)[C@H]2CCCCO2)C1 1494263601 CIKZNKDEFHTLAZ-ZIAGYGMSSA-N 307.394 -0.115 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CCN(C(=O)CS(C)(=O)=O)C1 1495154746 YPXKIQMJMSGHAM-NXEZZACHSA-N 301.368 -0.845 30 20 DBED C=C(Cl)CNC[C@H](C)NC(=O)Cn1cnc(C(N)=O)n1 1498044911 BWIIVJPRTMLYAZ-QMMMGPOBSA-N 300.750 -0.776 30 20 DBED C#CCNCC(=O)NCCCN1CCN(c2ccncc2)CC1 1521503189 FBHMVWAGOWWVFC-UHFFFAOYSA-N 315.421 -0.067 30 20 DBED C[C@H](C(=O)N[C@H](Cc1cnc[nH]1)C(=O)O)n1cnc(C#N)n1 1571079220 AWLQMGVBUXBHEE-VXNVDRBHSA-N 303.282 -0.754 30 20 DBED N#Cc1cn(CCC(=O)N2CCC(C(=O)O)CC2)c(=O)nc1O 1574249058 QJXNWAHMXRYPLR-UHFFFAOYSA-N 320.305 -0.466 30 20 DBED N#C[C@@]12CN(C(=O)C3(C(=O)O)CCC3)C[C@H]1CS(=O)(=O)C2 1574479457 IIEWXAWJRLXAOU-CABZTGNLSA-N 312.347 -0.362 30 20 DBED COC(=O)CCN(CC#N)C(=O)c1coc(-c2nn[nH]n2)c1 1579447257 FUQVERCAFQKPOD-UHFFFAOYSA-N 304.266 -0.011 30 20 DBED N#CCN1C[C@H]2CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C[C@H]2C1 1592677600 GQTHDJYUWLJTLI-PHIMTYICSA-N 312.337 -0.278 30 20 DBED N#Cc1nc(N[C@H](CO)C2CCOCC2)cnc1-c1nn[nH]n1 1592707975 MQGCDLXJUGYBAX-SNVBAGLBSA-N 316.325 -0.272 30 20 DBED N#Cc1ccc(S(=O)(=O)N2CCN(CCC(=O)O)CC2)o1 1601112124 OSTMNCKMAPBGHV-UHFFFAOYSA-N 313.335 -0.068 30 20 DBED C#CCN(CC(=O)O)C(=O)C(=O)Nc1ccc(F)c(C(N)=O)c1 1602679820 WDMUZUWRBUCJIR-UHFFFAOYSA-N 321.264 -0.591 30 20 DBED C=C(CCC(=O)O)C(=O)NCCCN1CCCS1(=O)=O 1602783282 DWCFVSRBZXWQFY-UHFFFAOYSA-N 304.368 -0.051 30 20 DBED COCC[C@@](C)(C#N)NC(=O)[C@H](C)n1cnc(-c2nn[nH]n2)n1 1605075149 WTXYXARQJSBILU-UFBFGSQYSA-N 319.329 -0.546 30 20 DBED Cc1c(C(=O)N2CCNC(=O)[C@H]2CC(=O)O)cnn1CCC#N 1607507649 VLDNNFJSWBDYGT-LLVKDONJSA-N 319.321 -0.480 30 20 DBED N#CC[C@]1(O)CCN(C(=O)NC[C@H]2CCCS2(=O)=O)C1 1649842494 JTGXOMUJPUNZFK-PWSUYJOCSA-N 301.368 -0.376 30 20 DBED COCC#CCNC[C@H]1CCCN1C(=O)C1CC(=O)NC(=O)C1 1698732738 OWUZDIXQZAHJHT-CYBMUJFWSA-N 321.377 -0.730 30 20 DBED Cc1cc(CCC(=O)N[C@@H]2CCN(CC(=O)NCC#N)C2)no1 1713086436 OZNBSNIAOBHQJN-CYBMUJFWSA-N 319.365 -0.254 30 20 DBED Cc1nnc(CC(=O)NCC[C@H](C)NCC(=O)NCC#N)o1 1714466377 MKAMBSGGENNMPU-VIFPVBQESA-N 308.342 -0.955 30 20 DBED COCC#CCN[C@H]1C[C@@H](NC(=O)[C@H](C)N2C(=O)CCC2=O)C1 1752733614 UWOJINJPFMBHDG-RWMBFGLXSA-N 321.377 -0.590 30 20 DBED C[C@H](NC(=O)c1cn[nH]c1)[C@H]1CCCN(CC(=O)NCC#N)C1 1752833335 FAGOADGLWKLNTP-RYUDHWBXSA-N 318.381 -0.120 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H](C)CNC(=O)c1cnc2n1CCC2 1752879163 UZDXZRIPUOQGFY-RYUDHWBXSA-N 317.393 -0.325 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H](C)CNC(=O)CCn1cc(C)cn1 1752921720 XUDNQVJGKAAFJY-ZIAGYGMSSA-N 319.409 -0.186 30 20 DBED CCS(=O)(=O)N(C)CC(=O)N1CC[C@@H](CNCC#N)C1 1752957386 YGMMSONVIOHDBG-NSHDSACASA-N 302.400 -0.770 30 20 DBED C=CCOCCN1CCC[C@H]1CNC(=O)C1CC(=O)NC(=O)C1 1753114349 WNEFVVKVKYOVRY-ZDUSSCGKSA-N 323.393 -0.178 30 20 DBED CN(CCN1CCN(CC#N)CC1)C(=O)[C@@H]1CC[C@H]1C(N)=O 1753341726 DILPZYMCXJCUNI-CHWSQXEVSA-N 307.398 -0.903 30 20 DBED C[C@H](CNCC(=O)NC[C@H]1CCOC1)N(C)C(=O)C#CC1CC1 1753690454 WPMJRJKTILWUHJ-UKRRQHHQSA-N 321.421 -0.011 30 20 DBED CNC(=O)NCC(=O)N1CC[C@@H](NCC#CCOC)[C@@H](C)C1 1753754118 FPCMUGLFYDADQW-QWHCGFSZSA-N 310.398 -0.608 30 20 DBED COCC#CCNC[C@H](C)NC(=O)c1cc(=O)c(OC)c[nH]1 1754275859 QSZGLJWFXLNURL-NSHDSACASA-N 307.350 -0.259 30 20 DBED C=CCN1CC[C@]2(CCN(C(=O)CS(=O)(=O)N(C)C)C2)C1 1754569439 NJUMTOCGFDAAEW-AWEZNQCLSA-N 315.439 -0.012 30 20 DBED C=CCNC(=O)[C@H](C)N1CC[C@@](C)(NC(=O)CNC(C)=O)C1 1754664064 CWGUNVOSBLILTJ-XHDPSFHLSA-N 310.398 -0.606 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC[C@](C)(NC(=O)c2cnon2)C1 1754681882 JWVFVAPTZRTZBT-YGRLFVJLSA-N 307.354 -0.046 30 20 DBED C#CCCN1CC[C@@](O)(CNC(=O)[C@@]2(CC)CCNC2=O)C1 1754754243 MZHGFDRMRVKGNP-CVEARBPZSA-N 307.394 -0.521 30 20 DBED C#CCN1CCC[C@@](CO)(NC(=O)[C@@H]2CC(=O)N(CCC)C2)C1 1754859281 TTWXZVRYQASSAA-RHSMWYFYSA-N 321.421 -0.179 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)Cc1nnn(C(C)(C)C)n1 1754967824 QFJWOPLCUYBHIN-LBPRGKRZSA-N 320.397 -0.579 30 20 DBED C=CCCN1CCOC[C@H]1CNC(=O)CCS(=O)(=O)NC 1754968039 WDCBAOLVSWBDMO-GFCCVEGCSA-N 319.427 -0.681 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)CCCC=C)CCO1 1755011375 WNIFNZRAFOTCQS-CQSZACIVSA-N 307.394 -0.091 30 20 DBED C=CCCN[C@@]1(CO)CCCN(C(=O)C2CC(=O)NC(=O)C2)C1 1755091089 UKHWNVZPIYDQOJ-INIZCTEOSA-N 323.393 -0.442 30 20 DBED C#CCNC(=O)CN[C@H]1CN(C(=O)c2cn(C)nc2C)C[C@@H]1C 1755104658 ICTZFFWQQFFURL-FZMZJTMJSA-N 317.393 -0.472 30 20 DBED CCO[C@H](C)C(=O)N1CCN(C2CN(CC#CCOC)C2)CC1 1755144798 QNLOSXRBRCPIAM-OAHLLOKOSA-N 323.437 -0.110 30 20 DBED CC(C)[C@H](C)C(=O)NC1(CO)CCN(CC(=O)NCC#N)CC1 1755181214 NRESCEJBRPSYTQ-ZDUSSCGKSA-N 324.425 -0.139 30 20 DBED C=CCNC(=O)CN(C)[C@H](C)CNC(=O)c1cc2n(n1)CCO2 1755301139 FRNYISAKOIEASN-LLVKDONJSA-N 321.381 -0.372 30 20 DBED C=CCNC(=O)[C@H](C)N1CC(CCO)(NC(=O)c2cnco2)C1 1755335462 IPPARODYFAAPSL-NSHDSACASA-N 322.365 -0.468 30 20 DBED C=CCNC[C@H]1CC[C@H](NC(=O)CN2CC(=O)N(C)C2=O)C1 1755748677 YDKWGKPYKDVOSE-RYUDHWBXSA-N 308.382 -0.059 30 20 DBED C=CCNC(=O)CNC[C@@H](O)CN(C)C(=O)c1ccnc(F)c1 1755774837 LJCJNGOPXXMIFB-GFCCVEGCSA-N 324.356 -0.455 30 20 DBED C=CCO[C@@H](C)C(=O)NCC1CC(NC(=O)C2(C(N)=O)CC2)C1 1755942981 RXGMSHOQILFUNH-UNXYVOJBSA-N 323.393 -0.146 30 20 DBED C[C@@H](CNC(=O)CCCCNC(N)=O)N(C)C(=O)[C@H](C)C#N 1756044073 FFEXAGWGFAQKCS-MNOVXSKESA-N 311.386 -0.052 30 20 DBED C=CCCO[C@H](C)C(=O)NCC1[C@@H]2CN(C(=O)CC(N)=O)C[C@@H]12 1756191958 GJRKKPRMZBVWQL-WXHSDQCUSA-N 323.393 -0.336 30 20 DBED Cn1cc(C(=O)NC[C@@H](CO)NC(=O)C#CC2CC2)c(Cl)n1 1756535181 DNNFKFBMVKGFEL-JTQLQIEISA-N 324.768 -0.306 30 20 DBED C[C@@H](C#N)C(=O)NC1CC(N(C)C(=O)C(=O)NCC2CC2)C1 1756747457 FALHNSHNCFJZRC-GCVQQVDUSA-N 306.366 -0.222 30 20 DBED C=CCn1cc(C(=O)N2C[C@H](O)[C@H](NC(=O)CCCC)C2)nn1 1757155054 QWOVKBJSQVADLT-YPMHNXCESA-N 321.381 -0.044 30 20 DBED C#CCCCCC(=O)N[C@@H]1CN(C(=O)c2cnccn2)C[C@@H]1O 1757167600 XXWAGBKPIHXXOI-KGLIPLIRSA-N 316.361 -0.028 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(C(=O)CCN(C)C)C[C@@H]1O 1757185361 LXHQSDHWXJMDPV-OLZOCXBDSA-N 313.398 -0.781 30 20 DBED N#CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CCOCC1 1795324294 BSIUJIPEFUTVPB-AGGWBTHJSA-N 321.377 -0.084 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCCN(C)C1 1799119687 AXYNXZPHDABGJT-AYDFFVQHSA-N 319.405 -0.449 30 20 DBED CC(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1835198906 ZQHSXBHAITYIDE-OAHLLOKOSA-N 307.350 -0.234 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CNC(=N)N 1847811948 DISHHHBBYMGHMZ-SRVKXCTJSA-N 323.397 -0.738 30 20 DBED CCCCNC(=O)NC(=O)Cn1c(=O)c(C#N)cn(CC)c1=O 21593328 IMWQIIYJWVVCKH-UHFFFAOYSA-N 321.337 -0.473 30 20 DBED C#CCNC(=O)[C@@H](C)OC(=O)c1csc(S(N)(=O)=O)c1 28393355 AWWNRJFRKPKADY-SSDOTTSWSA-N 316.360 -0.310 30 20 DBED Cn1cc(S(=O)(=O)N[C@@H](C#N)C(C)(C)C)c(=O)n(C)c1=O 156676615 SLZLONOZXNNOPR-VIFPVBQESA-N 314.367 -0.699 30 20 DBED C=CC[C@@H](NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)C(=O)O 227515632 PTEQXDDEVLMDNK-VHSXEESVSA-N 304.368 -0.197 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NOCCC(F)(F)F)C1=O 275203135 HUXRZIGGCSJANO-UHFFFAOYSA-N 323.227 -0.037 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)NCCn1cc([N+](=O)[O-])cn1 282396414 YIVLZKSCKOCYAL-SECBINFHSA-N 316.343 -0.140 30 20 DBED CC/N=C(/NCC)NCCS(=O)(=O)N1CCSCC1 303992046 MEXAJZLOHIFJTL-UHFFFAOYSA-N 308.473 -0.060 30 20 DBED CCN1CCN(C/C(O)=N/CCc2nc(C)no2)C(=O)C1=O 328664453 BOHSGTWAZIEQFA-UHFFFAOYSA-N 309.326 -0.432 30 20 DBED CO[C@H]1C[C@@H](CO)N(/C(O)=N/C[C@H]2CCCCS2(=O)=O)C1 328998786 HCXMELOMEOSPKS-SDDRHHMPSA-N 320.411 -0.051 30 20 DBED CCCNC(=O)CN/C(O)=N/C[C@H]1CCCN1S(C)(=O)=O 330427999 XMBXTXPQOWAPEU-SNVBAGLBSA-N 320.415 -0.560 30 20 DBED CN1C[C@@H](N/C(O)=N/CCN2CCC(N(C)C)CC2)CC1=O 330495286 WFVMNCFIFNSDBP-LBPRGKRZSA-N 311.430 -0.253 30 20 DBED CC(C)[C@H](CNC(=O)Cn1cnc(C#N)n1)N1CCOCC1 331120313 AUWQUFPAFAEDTD-LBPRGKRZSA-N 306.370 -0.377 30 20 DBED CCN1CCC[C@@H](CNS(=O)(=O)N2CCO[C@H](C#N)C2)C1 336948791 QXJBONUQLUCJNV-QWHCGFSZSA-N 316.427 -0.223 30 20 DBED N#C[C@H]1CN(S(=O)(=O)NCCCC(=O)NC2CC2)CCO1 336949270 RLCKGRHWUDZVGS-NSHDSACASA-N 316.383 -0.896 30 20 DBED N#C[C@H]1CN(S(=O)(=O)NCCCO[C@H]2CCOC2)CCO1 336956239 ZEWABZHKODHKFD-RYUDHWBXSA-N 319.383 -0.759 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@H]1C(=O)NCC[C@@H]1C 337213149 WCNHEIAUBHBNOT-WDEREUQCSA-N 318.399 -0.793 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N1CCN2C(=O)CC[C@H]2C1 337758050 IQEJLNDYIQCGCV-MNOVXSKESA-N 300.384 -0.228 30 20 DBED N#Cc1cccc(NC(=O)CN2CCN(CC(N)=O)CC2)c1 341234220 DLXHPGWVZVDSFI-UHFFFAOYSA-N 301.350 -0.400 30 20 DBED CC(=O)NC[C@@H]1CN([C@H](C(N)=O)c2ccc(C#N)cc2)CCO1 344553048 NJKUCIYTPYHEDX-CABCVRRESA-N 316.361 -0.078 30 20 DBED N#Cc1ccc(NC(=O)C(=O)NCCNc2cnccn2)cc1 347780053 KVFWKJLMQVYRFB-UHFFFAOYSA-N 310.317 0.515 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@H](C)c1n[nH]c(C)n1 352538852 QAQKYCLGGOABKF-SECBINFHSA-N 316.387 -0.129 30 20 DBED CC[C@@H](CC#N)NC(=O)CNS(=O)(=O)c1cn(C)c(C)n1 358076681 JJCBQYNYKGGJKJ-JTQLQIEISA-N 313.383 -0.185 30 20 DBED C=C[C@H](CO)NC(=O)NCc1ccc(S(N)(=O)=O)s1 358458634 AERBNZLFEVZAFB-SSDOTTSWSA-N 305.381 -0.258 30 20 DBED COC(=O)C[C@H]1COCCN1CC(=O)N(CCC#N)CCC#N 376525228 CKJGZFIPCVECJR-ZDUSSCGKSA-N 322.365 -0.094 30 20 DBED C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N(C)CC(C)(C)C#N 433308861 VVQSUBWUUGNENT-VIFPVBQESA-N 321.381 -0.281 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C(=O)[C@H](C)C#N)[C@H](C(=O)N(C)C)C1 434261767 RRUDGWJUCSXYKL-UTUOFQBUSA-N 319.365 -0.567 30 20 DBED C#CCNS(=O)(=O)c1cccc(C(=O)NCC(=O)NC)c1 490539152 CIVQVGZVGQAOOO-UHFFFAOYSA-N 309.347 -0.926 30 20 DBED C#CCNC(=O)CCN(CCCOC)[C@H]1CCS(=O)(=O)C1 491069250 VDBADUHYHOZILS-ZDUSSCGKSA-N 316.423 -0.349 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@H](C)C2CCOCC2)CC1 491070292 ANOYJYUBUYOOQC-CQSZACIVSA-N 321.421 -0.057 30 20 DBED C#CCNC(=O)CCN1CC[S@@](=O)C[C@H]1c1cnn(C)c1 491165712 MYBKMJHDDRUQAK-YEJXKQKISA-N 308.407 -0.335 30 20 DBED C#CCNC(=O)CN1CCN([C@@H](C)c2nnnn2C2CC2)CC1 491806993 RZZMSIDHQOLSGQ-LBPRGKRZSA-N 317.397 -0.564 30 20 DBED CCOC(=O)N1CCN(S(=O)(=O)NCCCC#N)CC1 495135709 ASGOJCCUGDLLQU-UHFFFAOYSA-N 304.372 -0.101 30 20 DBED COCCN(Cc1cnc2c(C#N)cnn2c1)[C@@H](C)C(N)=O 515060027 GXPQPIFFRMHZSF-JTQLQIEISA-N 302.338 -0.077 30 20 DBED Cc1nn(C)c(N2CCN(C(=O)c3cn(C)nn3)CC2)c1C#N 515474954 BHKWJJXDIPCDHC-UHFFFAOYSA-N 314.353 -0.309 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)NCc2ccccc2CO)CCO1 554534175 WYEMWBLANCHOSL-CYBMUJFWSA-N 311.363 -0.262 30 20 DBED N#Cc1ccc(OC[C@H](O)CN[C@@]2(C(N)=O)CCOC2)cc1 578203345 PESVIYMYOATUKC-DOMZBBRYSA-N 305.334 -0.468 30 20 DBED N#Cc1ccc(S(=O)(=O)N[C@@]2(C(N)=O)CCOC2)cc1F 579494264 IZJMWAAFZCUHTN-LBPRGKRZSA-N 313.310 -0.380 30 20 DBED CS(=O)(=O)NCCNC(=O)NCCc1ccc(C#N)cc1 595439928 KWXIOCJGXLFTEW-UHFFFAOYSA-N 310.379 -0.051 30 20 DBED C=C[C@H](O)C(=O)NC[C@@H](O)CS(=O)(=O)c1cccs1 612844400 HEPWQEBOKCUYGJ-BDAKNGLRSA-N 305.377 -0.454 30 20 DBED C=CCn1c(COC)nnc1N1CCN(CC(=O)N(C)C)CC1 669804015 KCPGAZGNILJYCH-UHFFFAOYSA-N 322.413 -0.179 30 20 DBED N#Cc1ccc([C@@H](C(=O)O)N2CC[C@@]3(C2)NC(=O)NC3=O)cc1 739103642 CDSPHROITIEGNK-NHYWBVRUSA-N 314.301 -0.032 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1cccc(=O)n1C 757747153 JORFHQDJACCVHF-VIFPVBQESA-N 307.306 -0.058 30 20 DBED C#CCNC(=O)CN1CCC[C@H](n2cc(C(=O)OC)nn2)C1 762621664 CHERQXXXARBEFQ-NSHDSACASA-N 305.338 -0.549 30 20 DBED Cc1nc(S(=O)(=O)NCC(=O)N=C2C[C@H](C)ON2)cn1C 765378472 LMGLHMPNJUSOIT-ZETCQYMHSA-N 315.355 -0.755 30 20 DBED CC(=O)NCC(=O)NCC(=O)OCC#Cc1ccc(F)cc1 771339142 PDZYMBNYWWPVNJ-UHFFFAOYSA-N 306.293 -0.027 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1C[C@@H]2C[C@]2(CO)C1 800122580 LSIQMYZTVCZVRB-NWDGAFQWSA-N 303.384 -0.593 30 20 DBED C=C[C@H](C(=O)OC)N1CCN(S(=O)(=O)N(CC)CC)CC1 800330157 ULLNMOWCPBSVLN-GFCCVEGCSA-N 319.427 -0.082 30 20 DBED C#CCCCS(=O)(=O)NCCC(=O)N1CCN(C)CC1 804953773 DFKMHDBXTNSPQK-UHFFFAOYSA-N 301.412 -0.517 30 20 DBED C#CCCS(=O)(=O)N1C[C@H](CO)C[C@@H](OCCOC)C1 808308637 MRVXXXNUWRTFNS-CHWSQXEVSA-N 305.396 -0.315 30 20 DBED C=CCN(CC=C)C(=O)COC(=O)CCn1ncn(C)c1=O 815271400 RBLWELKTVIHZLT-UHFFFAOYSA-N 308.338 -0.284 30 20 DBED C#C[C@H](NC(=O)C(=O)N(C)C[C@H]1CCCN1C)[C@@H]1CCCO1 817839564 ZNBJDWLIOREDOA-RDBSUJKOSA-N 307.394 -0.164 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N[C@H](C)C[S@](C)=O 829181379 DSWHVZRPEVASMC-GIPWTMENSA-N 302.396 -0.632 30 20 DBED C#CCN(CC(=O)NCCn1cnnn1)C(=O)OC(C)(C)C 830149474 GALFYHLGNZKEEL-UHFFFAOYSA-N 308.342 -0.340 30 20 DBED C=CCNC(=O)CNC(=O)C(=O)Nc1cc(C(=O)O)ccc1F 833377041 KZJXOIUYMDPUBI-UHFFFAOYSA-N 323.280 -0.119 30 20 DBED C#CCC[C@@H](O)CNC(=O)C1=C(C)N(C)c2nnnn2[C@H]1C 848035262 PXENCJQEZFFNDL-WDEREUQCSA-N 304.354 -0.152 30 20 DBED C=C(C)CNC(=N)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 848994336 DMWJEZGNHCCBAA-JTQLQIEISA-N 302.400 -0.630 30 20 DBED C/N=C(/NCCN1CCOCC1)NCCC1(O)CCOCC1 849027136 CRVSIPAEKLZPKJ-UHFFFAOYSA-N 314.430 -0.585 30 20 DBED C#CCOCCN(CC)CC(=O)N[C@@H]1CCS(=O)(=O)C1 851719070 UNRXUDSUHZMXHT-GFCCVEGCSA-N 302.396 -0.739 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)c2cnc(O)n2C)CC1 865178147 SRRHADONKVRTJJ-UHFFFAOYSA-N 319.365 -0.977 30 20 DBED C#CCC[C@@H](O)CNS(=O)(=O)CCCN1CCN(C)CC1 867227167 XPKQKXRUULCNKL-CQSZACIVSA-N 317.455 -0.682 30 20 DBED C#CCNC(=O)COC(=O)Cn1cc(Br)cn1 917316274 MUDMLGKCADFNRV-UHFFFAOYSA-N 300.112 -0.062 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)CNC(=O)OCC(F)(F)F 919558280 HEDCDYQSJXQVPY-ZETCQYMHSA-N 310.228 -0.044 30 20 DBED C#C[C@H](NC(=O)Cn1cccc(C(=O)OC)c1=O)[C@H]1CCCO1 935460790 XVMZLLZAYVSPAG-QWHCGFSZSA-N 318.329 -0.068 30 20 DBED C=C1CC(C)(C(=O)N2CC[C@H](NC(=O)Cn3cnnn3)C2)C1 937656794 CLXKCWVHYJGBGR-NSHDSACASA-N 304.354 -0.254 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H]2CCCCN(C(=O)C(N)=O)C2)c1 943164582 JHYBBAQEVIGQDQ-JTQLQIEISA-N 303.322 -0.517 30 20 DBED NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@H]2CCN2C(=O)C#CC2CC2)O1 952143137 HRPSJFVVBPRFCE-RWMBFGLXSA-N 319.361 -0.850 30 20 DBED C[C@H](C#N)C(=O)N1[C@H]2CCC[C@H]1CN(C(=O)[C@@H]1CNC(=O)N1)C2 952780784 FFASVKDOZTZUMX-RHYQMDGZSA-N 319.365 -0.581 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCN(C(=O)C(N)=O)[C@@H](C)C2)nn1 955806737 XDNDHBNYQJIJSV-VHSXEESVSA-N 320.353 -0.941 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2c(C3CC3)cnn2C)C1 958122008 OFHWQFOIWRORMY-TZMCWYRMSA-N 302.378 -0.047 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@@H](CNC(=O)c2c[nH]c(=O)cn2)C1 958350412 PWXANSWOHWYKPE-GXSJLCMTSA-N 312.757 -0.455 30 20 DBED Cn1cnnc1CN1C[C@H]2C(NC(=O)c3cc(C#N)c[nH]3)[C@@H]2C1 958501134 WYYUYXPRGKWGLP-GHMZBOCLSA-N 311.349 -0.125 30 20 DBED Cc1c(C(=O)NC[C@@H]2CN(CC#N)C[C@@H]2O)c(Cl)nn1C 958630854 LZAOXXGOTHOUFJ-ZJUUUORDSA-N 311.773 -0.072 30 20 DBED C#CCCN1C[C@H](CNC(=O)c2ccc(C(N)=O)nc2)[C@@H](O)C1 958747932 DXGBHHANQNDJAR-JSGCOSHPSA-N 316.361 -0.774 30 20 DBED CCn1nccc1C(=O)N(C)[C@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1O 958832105 SKFGDRQGWDKHQB-WXHSDQCUSA-N 319.365 -0.294 30 20 DBED C=C(Cl)CN1C[C@H]2[C@H](NC(=O)CN3CCOCC3=O)[C@H]2C1 960301130 BCASUOYJDPPGNK-YABSGUDNSA-N 313.785 -0.356 30 20 DBED C=CCCN1C[C@H]2C(NC(=O)CN3C(=O)C(=O)N(C)C3=O)[C@@H]2C1 961942093 XXORSVFANANKCU-NXEZZACHSA-N 320.349 -0.971 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)C1=COCCO1 964062262 PZLJZMYCXSZYQP-MNOVXSKESA-N 309.322 -0.622 30 20 DBED CN([C@H]1CCNC1=O)[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 971375939 FFQIKTRAHXQAEW-OLZOCXBDSA-N 301.350 -0.079 30 20 DBED C=CCN1CCO[C@@]2(CCN(C(=O)c3ccc(=O)n(C)n3)C2)C1 972664194 ICZFXBJFGZMBTI-INIZCTEOSA-N 318.377 -0.117 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)CCN3CCCC3=O)C2)C1 972673440 INAYABSIBYCIQT-QGZVFWFLSA-N 319.405 -0.065 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3COC(=O)N3)C2)[nH]1 973183493 SPXHWMGGKJWMDK-QXEWZRGKSA-N 317.305 -0.628 30 20 DBED C#CCN1CCC(C(=O)N[C@H]2CN(CC(N)=O)CC2(C)C)CC1 977651725 GJAWECNJOUOAQL-AWEZNQCLSA-N 320.437 -0.357 30 20 DBED C#CCN1C[C@@H]2C(CNC(=O)c3cnc4n3CCOC4)[C@H]2C1 978302865 LAJYAJLLBFOBFC-CHWSQXEVSA-N 300.362 -0.046 30 20 DBED C#CCOc1ncccc1C(=O)N1CC[C@H](NC(C)=O)[C@H](O)C1 991146531 DJOIDBBQIQOXEI-UONOGXRCSA-N 317.345 -0.195 30 20 DBED N#Cc1ccc(C(=O)N2CC(NC(=O)CN3CCCC3)C2)[nH]1 991747268 JXOGLBTUDYUALH-UHFFFAOYSA-N 301.350 -0.077 30 20 DBED CC#CCN1CC[C@]2(NC(=O)CN3CCNC(=O)C3)CCC[C@@H]12 992108336 PLKACNPFYZCWTG-RHSMWYFYSA-N 318.421 -0.445 30 20 DBED C=CCN1CC[C@@]2(NC(=O)CN3C(=O)CNC3=O)CCC[C@@H]12 992476479 PEVPUOFJYQKJBJ-ABAIWWIYSA-N 306.366 -0.163 30 20 DBED CN(C(=O)c1cc(C#N)c[nH]1)C1CC(NCc2nnnn2C)C1 998603549 HARXIEZTWBBGQU-UHFFFAOYSA-N 314.353 -0.197 30 20 DBED Cc1ccnc2nc(C(=O)NC3CN(C(=O)C#CC4CC4)C3)nn12 1000039162 USSKQXKCDORPOQ-UHFFFAOYSA-N 324.344 -0.213 30 20 DBED C=CCN[C@@H]1CCCN(C(=O)Cn2ncn3nccc3c2=O)C1 1000370693 SGDQRKWJYFIMBB-GFCCVEGCSA-N 316.365 -0.342 30 20 DBED C[C@H](c1nnnn1C)N1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 1010692652 WKYNHIBXJZWHBD-KOLCDFICSA-N 314.353 -0.025 30 20 DBED N#Cc1ccc(C(=O)N2CCN(C(=O)Cn3nccn3)CC2)[nH]1 1011020119 SDCYUVRNLWOJHN-UHFFFAOYSA-N 313.321 -0.538 30 20 DBED C[C@H](C#N)C(=O)N1CCC2(CN(C(=O)[C@H]3CC(=O)N(C)C3)C2)C1 1019099085 PGSDTLKJFVOYCT-NEPJUHHUSA-N 318.377 -0.315 30 20 DBED CC[C@H](F)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 1023437192 MXFZOYMUKRTVFO-MVWJERBFSA-N 308.313 -0.064 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC(=O)N2C)C1 1025187192 IBOAGUUWRKXBBZ-IJLUTSLNSA-N 323.393 -0.493 30 20 DBED COc1c(O)nc(O)nc1C(=O)N1C[C@@H]2CC[C@H](C1)N2CC#N 1029552541 WGQFIALERKKDRG-DTORHVGOSA-N 319.321 -0.291 30 20 DBED C#CCCN1CC[C@H](N(CC)C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 1033951230 CJKSJLJWXCOALY-MELADBBJSA-N 307.394 -0.035 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@@H]2CN([C@H]3CCNC3=O)CCO2)c1 1035327047 SABBZMQUCRUGMP-YPMHNXCESA-N 317.349 -0.795 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2CN([C@@H](C)C(N)=O)CCO2)cn1 1035581478 JLWAUBXTOHCVDA-FZMZJTMJSA-N 316.361 -0.633 30 20 DBED C#CCN[C@H]1CCN(C(=O)CN2CCCS2(=O)=O)C[C@H]1C 1036058564 RUHPRDHZNADMGX-OLZOCXBDSA-N 313.423 -0.518 30 20 DBED C=CCN[C@@H]1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)C[C@@H]1C 1036204032 QNRUCEKWVAUYDP-WCQYABFASA-N 320.393 -0.290 30 20 DBED CC#CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)c1cc(=O)n2[nH]cnc2n1 1037671858 ITXUAYPIUOCVQS-CDMKHQONSA-N 312.333 -0.757 30 20 DBED CCNC(=O)CCC(=O)N1CC[C@](O)(CNC(=O)[C@@H](C)C#N)C1 1040759902 DVYSTTNBSUUMOY-NHYWBVRUSA-N 324.381 -0.858 30 20 DBED C#CCNC(=O)CC(=O)N1CC(O)(CNC(=O)C(CC)CC)C1 1041579393 VYQJHRWBFGZHGK-UHFFFAOYSA-N 323.393 -0.748 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)C(C)(C)NC(C)=O)C1 1041956875 YQEMQVWXSUYPNY-UHFFFAOYSA-N 311.382 -0.443 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)[C@H]2CCN(C)C2=O)C1 1041973398 YQXPCPOGOKBFFX-NSHDSACASA-N 309.366 -0.880 30 20 DBED COCCn1cc(C(=O)N2CC[C@@H]3CCN(CC#N)[C@H]3C2)nn1 1042046445 LKVJDDSXEANTNB-JSGCOSHPSA-N 318.381 -0.016 30 20 DBED C#CCN1CC[C@@H]2CCN(C(=O)Cn3nc(C)n(C)c3=O)C[C@@H]21 1042333540 PKZUKFPORGUNSX-KGLIPLIRSA-N 317.393 -0.554 30 20 DBED CO[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2cc(C#N)c[nH]2)C1 1042401709 QSUBNSHVIHDAJY-VIFPVBQESA-N 306.322 -0.776 30 20 DBED O=C(NCC1(O)CN(C(=O)C#CC2CC2)C1)c1cncc(F)c1 1042497526 JVBVCGWQCIJMQW-UHFFFAOYSA-N 317.320 -0.063 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)CCn2ccnn2)C1 1042802744 NKKGLZPGKGDDOG-UHFFFAOYSA-N 319.365 -0.839 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(O)CN(C(=O)[C@H]2CCOC2)C1 1042807836 ZOLHAWPZYYRLIC-FZMZJTMJSA-N 312.366 -0.961 30 20 DBED O=C(C#CC1CC1)NCC1(O)CN(C(=O)C[C@@H]2COC(=O)C2)C1 1042957999 DANPXFVWCYGXFM-LBPRGKRZSA-N 320.345 -0.958 30 20 DBED CC(C)N1CCC[C@@H]1C(=O)NCC1(O)CN(C(=O)[C@H](C)C#N)C1 1043043340 IPQVORYMIWHEDY-CHWSQXEVSA-N 322.409 -0.292 30 20 DBED N#Cc1cnccc1N1C[C@H](O)[C@H](NC(=O)Cn2cccn2)C1 1043860473 WCZDLTATJQULIY-OCCSQVGLSA-N 312.333 -0.484 30 20 DBED C=C[C@H](CC)CC(=O)NCC1(O)CN(C(=O)c2cnnn2C)C1 1045064584 VRJBNNQAHMPHGK-LLVKDONJSA-N 321.381 -0.280 30 20 DBED Cc1n[nH]c(C)c1CC(=O)N1CC(O)(CNC(=O)[C@H](C)C#N)C1 1045554806 JYADZUFGCJFXMV-SECBINFHSA-N 319.365 -0.582 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)CCc2cncs2)C1 1045555023 NBQITDGKGHCFFL-SNVBAGLBSA-N 322.390 -0.075 30 20 DBED C[C@H]1C[C@@H](C(=O)N2CC(O)(CNC(=O)[C@H](C)C#N)C2)CCN1C 1045565463 XVLDSSHVSVGBCO-AGIUHOORSA-N 322.409 -0.434 30 20 DBED C#CCN1[C@H]2CC[C@H]1CN(C(=O)c1nnc(O)nc1O)CC2 1045809838 XTOQFNLZVZDYMO-UWVGGRQHSA-N 303.322 -0.405 30 20 DBED C#CCN1CC[C@@H](N2CCN(C(=O)CCn3ccnn3)CC2)C1 1046024442 KWURUMLAQRRZKU-OAHLLOKOSA-N 316.409 -0.480 30 20 DBED N#CCN1CC[C@@H](N2CCN(C(=O)Cc3cnc[nH]3)CC2)C1 1046065727 CTGDWOIMAVAMPJ-CQSZACIVSA-N 302.382 -0.306 30 20 DBED C#CCN1CC[C@@](C)(NC(=O)c2ccc(S(N)(=O)=O)o2)C1 1046445917 KWQDGSLBRJELOG-CYBMUJFWSA-N 311.363 -0.246 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)NC(C)=O)C1 1048135662 GDLSKMXHCRRVDL-XBFCOCLRSA-N 323.393 -0.655 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)[C@H]1CN(C(=O)c2ccco2)C[C@@H]1O 1048843902 ABUWHBBSJDSJJN-AVGNSLFASA-N 320.345 -0.038 30 20 DBED N#CCN1CCOC[C@H]1CNC(=O)c1ccc2nn[nH]c2c1 1051238452 NUNOUVZYNWXWAK-LLVKDONJSA-N 300.322 -0.088 30 20 DBED N#Cc1cncc(N2CC[C@@H](NC(=O)c3cc[nH]n3)[C@H](O)C2)n1 1051610380 AXHCSMFFXFOUFE-ZYHUDNBSSA-N 313.321 -0.559 30 20 DBED N#Cc1nc(=NC2CC(CNC(=O)[C@@H]3COCCO3)C2)cc[nH]1 1051850515 VCXASECEAIMEHA-MCIGGMRASA-N 317.349 -0.508 30 20 DBED C#CCN1CCN([C@H]2CCN(C(=O)C(C)(C)C(N)=O)C2)CC1 1052042119 YUQGOAXULSAPLS-ZDUSSCGKSA-N 306.410 -0.650 30 20 DBED C[C@@H]1CN(C(=O)CSCC#N)C[C@@H]1CNC(=O)CC(N)=O 1052044143 HLMCCQYWPBXLAI-ZJUUUORDSA-N 312.395 -0.671 30 20 DBED N#CCN1CC2(C1)CN(C(=O)CN1CCCCC1=O)CCO2 1053326219 XZVCKRDSQMBZOW-UHFFFAOYSA-N 306.366 -0.564 30 20 DBED N#CCN1CC2(C1)CN(C(=O)c1cccc3ncnn13)CCO2 1053328746 GIPAXYHXVCVCRD-UHFFFAOYSA-N 312.333 -0.220 30 20 DBED N#CCN1CC2(C1)CN(C(=O)[C@@]13CCCN(CC1)C3)CCO2 1053518822 CUQDBVLHADOYCQ-HNNXBMFYSA-N 304.394 -0.091 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)[C@H](C)n3cncn3)CO2)C1 1053782096 DZNVSJWKWUYDIS-QWHCGFSZSA-N 303.366 -0.178 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)c3ccc(C(N)=O)o3)CO2)C1 1053863861 RVVROBOCKXVSRD-NSHDSACASA-N 317.345 -0.025 30 20 DBED Cc1cc(=N[C@H]2C[C@H]3C[C@@H](C2)N(C(=O)C(N)=O)C3)c(C#N)c[nH]1 1054839612 OXNYJTYCBVUIPK-DRZSPHRISA-N 313.361 -0.040 30 20 DBED O=C(C#CC1CC1)N[C@@]1(CO)CCCN(C(=O)c2cc[nH]n2)C1 1055936578 JDTAWMVVOLVBRL-INIZCTEOSA-N 316.361 -0.094 30 20 DBED C=C[C@](C)(O)CC(=O)NCCN(CCO)C(=O)c1cnn(C)c1 1056935345 CJMXJVHUDJFCDP-HNNXBMFYSA-N 324.381 -0.702 30 20 DBED C#CCOCCC(=O)NCCN(CCO)C(=O)c1ccc[nH]1 1056951309 HGWFBBMYKJINIT-UHFFFAOYSA-N 307.350 -0.395 30 20 DBED N#Cc1c[nH]c(C(=O)NCCN(CCO)C(=O)c2cn[nH]c2)c1 1057074053 PUKRTVDOEHEHBI-UHFFFAOYSA-N 316.321 -0.526 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)c1ccnnc1 1057198273 VDJDPSNYZVNMAL-UHFFFAOYSA-N 308.338 -0.770 30 20 DBED CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)c1cc(C#N)c[nH]1 1057291536 IGICDRJVOIVXCW-NSHDSACASA-N 322.365 -0.138 30 20 DBED Cn1nnc(C(=O)N2CCC[C@@H](N=c3cc[nH]cc3C#N)C2)n1 1057738410 SAKAVOGLHUYKFW-LLVKDONJSA-N 312.337 -0.385 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)[C@H]1CCCC(=O)N1 1057892836 AQWXKIUQQAXXDX-GFCCVEGCSA-N 311.382 -0.442 30 20 DBED CN1CCO[C@@H](C(=O)N[C@H]2CCN(c3ccc(C#N)nc3)C2)C1 1058316636 DDGXTAYXHWYBBS-DZGCQCFKSA-N 315.377 -0.021 30 20 DBED C=C[C@@](C)(CC)C(=O)N(CCO)CCNC(=O)c1nnn(C)n1 1058730636 CNQVKAGPDCADFJ-AWEZNQCLSA-N 324.385 -0.637 30 20 DBED CN1CCO[C@@H](C(=O)N2CC[C@H](Nc3ccc(C#N)nn3)C2)C1 1058857665 WNWFGRRLSJLUFB-QWHCGFSZSA-N 316.365 -0.308 30 20 DBED CN1C[C@H](C(=O)N2CC[C@H](Nc3ccc(C#N)nc3)C2)NC1=O 1059023141 OSMTWTVLAFPOHR-QWHCGFSZSA-N 314.349 -0.010 30 20 DBED N#Cc1nccnc1N1CC[C@@H]2[C@@H](CCCN2C(=O)C(N)=O)C1 1059540750 YBBAEGXRNAJZIL-CMPLNLGQSA-N 314.349 -0.349 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](CCNC(=O)c2cnnn2C)C1 1060289123 JUDKILCSOMWFCF-GHMZBOCLSA-N 304.354 -0.057 30 20 DBED N#Cc1cnc(NC[C@H]2CCN(C(=O)[C@H]3COC(=O)N3)C2)cn1 1060865198 MGIFAUZAAHICSU-MWLCHTKSSA-N 316.321 -0.283 30 20 DBED Cc1cc(C#N)nc(N[C@@H]2CCC[C@H](NC(=O)C(N)=O)C2)n1 1061125176 OJHKXBRZYFOSIQ-VHSXEESVSA-N 302.338 -0.019 30 20 DBED Cn1nnc(C(=O)NC[C@H]2CCCN2c2nccnc2C#N)n1 1061429464 YHEIDIJNBSNRJI-SECBINFHSA-N 313.325 -0.729 30 20 DBED C[C@@H](CC(N)=O)C(=O)N1CCOC[C@H]1CNC(=O)C#CC1CC1 1061573783 YBVCJJWRWLSKRM-WCQYABFASA-N 321.377 -0.745 30 20 DBED Cc1nnc(CC(=O)N2CCOC[C@@H]2CNC(=O)[C@@H](C)C#N)o1 1061848414 QRMZYGDKOKHSBH-ONGXEEELSA-N 321.337 -0.576 30 20 DBED COC[C@@H](OC)C(=O)NC[C@H]1COCCN1C(=O)C#CC1CC1 1061880075 ATGRTNDUKBNTCR-UONOGXRCSA-N 324.377 -0.595 30 20 DBED CN1C[C@@H](C(=O)NC2(CNC(=O)C#CC3CC3)CCC2)NC1=O 1062978999 HKINTZQCBWBCPW-LBPRGKRZSA-N 318.377 -0.422 30 20 DBED C#CCO[C@@H](C)C(=O)NC1(CNC(=O)C(C)(C)C(N)=O)CCC1 1063370432 LPHBLNLSVKTKGN-NSHDSACASA-N 323.393 -0.309 30 20 DBED Cc1cc(C(=O)N2CCO[C@H](CNC(=O)[C@@H](C)C#N)C2)n[nH]1 1064912610 BOHBPNJUCCUSRE-GXSJLCMTSA-N 305.338 -0.165 30 20 DBED C=CCCC(=O)N1CCO[C@H](CNC(=O)C[C@H]2CCC(=O)N2)C1 1064956001 PCVBGLPZFJUULN-CHWSQXEVSA-N 323.393 -0.035 30 20 DBED CCC(=O)NCC(=O)N1CCO[C@@H](CNC(=O)C#CC2CC2)C1 1064980838 BBSMNSNVVHILML-ZDUSSCGKSA-N 321.377 -0.730 30 20 DBED Cn1ccc(C(=O)N2CCO[C@@H](CNC(=O)C#CC3CC3)C2)n1 1065169935 UIWGUQBVTHJYFT-ZDUSSCGKSA-N 316.361 -0.209 30 20 DBED C[C@@H]1CN(C(=O)CC(N)=O)C[C@@H]1CNc1cncc(C#N)n1 1065830040 UXHHFYJLQLJHLB-ZJUUUORDSA-N 302.338 -0.270 30 20 DBED Cc1cc(C#N)nc(NCC[C@@H]2CCN(C(=O)C(N)=O)C2)n1 1066371511 GUVFGFWRVQVULD-SNVBAGLBSA-N 302.338 -0.208 30 20 DBED N#Cc1nccc(N2C[C@H]3CCN(C(=O)C(N)=O)CC[C@H]3C2)n1 1067458287 CMEWDBFORIKSMD-PHIMTYICSA-N 314.349 -0.492 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCCN(C)C(=O)[C@]1(C)CNC(=O)C1 1067817693 CQXSZRWHAPAYCO-NHYWBVRUSA-N 308.382 -0.021 30 20 DBED C=CCCCC(=O)N1CC2(C[C@@H](NC(=O)CNC(C)=O)CO2)C1 1068670861 VJCBMWSOKSNKOH-CYBMUJFWSA-N 323.393 -0.035 30 20 DBED CC(=O)N(C)CC(=O)N1CC2(C[C@@H](NC(=O)[C@@H](C)C#N)CO2)C1 1069002632 GWAYQCZZRGMUIZ-CMPLNLGQSA-N 322.365 -0.890 30 20 DBED C[C@@H]1OCCO[C@@H]1C(=O)NCc1cnn2c1CN(CC#N)CC2 1069863227 DTQJCTVCJDGLMV-FZMZJTMJSA-N 319.365 -0.358 30 20 DBED N#CCN1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CCNC2=O)C1 1070420245 UPWZQWINULSFOB-JQWIXIFHSA-N 316.365 -0.525 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H](C)[C@H](NC(=O)c2ccc[nH]2)C1 1071933233 SVCCKYMVODHMHJ-WCQYABFASA-N 316.361 -0.269 30 20 DBED C[C@H]1CN(C(=O)c2cnn(C)n2)C[C@@H]1NC(=O)CSCC#N 1072389664 GHOOJVJDERRXCZ-ONGXEEELSA-N 322.394 -0.351 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC3(CCN([C@@H]4CCNC4=O)C3)C2)c1 1072592718 NMLBSTRXHQAYEZ-CYBMUJFWSA-N 313.361 -0.077 30 20 DBED C=CCN1CCC2(C1)CN(C(=O)CN1CCCS1(=O)=O)C2 1072800346 NQHAYFNTSNIMED-UHFFFAOYSA-N 313.423 -0.258 30 20 DBED N#CCN1CCCO[C@H](CNC(=O)c2coc(C(N)=O)c2)C1 1073706211 MFGQEFYDOLQBHZ-LLVKDONJSA-N 306.322 -0.277 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(Cc2cnon2)C[C@H]1O 1077016231 GSKXUGLQEZGQTL-SYQHCUMBSA-N 322.365 -0.288 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)c2cccn3nnnc23)C1 1077059310 ALTLKYVPSROAPL-GHMZBOCLSA-N 322.756 -0.348 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)c2ccnc3[nH]nnc23)C1 1077358742 DQPITMKGKDUJFE-NXEZZACHSA-N 322.756 -0.120 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)c2ccc3nnnn3c2)C1 1077379906 YRQVWIJYVFEUPF-GHMZBOCLSA-N 322.756 -0.348 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)c2ccc3oc(O)nc3n2)C1 1077998155 JGMABAXFLOJPOU-NXEZZACHSA-N 304.306 -0.111 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)[C@H](C2CC2)N2CCOCC2)C1 1078214237 XWEXQQXGDKSWBX-OAGGEKHMSA-N 323.437 -0.165 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)[C@H]2COCCO2)C1 1079349988 UTBGIMDTDMPXSM-GXTWGEPZSA-N 324.377 -0.501 30 20 DBED C=CCOCC(=O)N(CC)C1CN(C(=O)C2CN(C(C)=O)C2)C1 1079490678 ZOKXYSMJSBBWBI-UHFFFAOYSA-N 323.393 -0.273 30 20 DBED CCn1cc(CN2C[C@H]3[C@@H](C2)OCCN3C(=O)[C@@H](C)C#N)nn1 1083027128 ZUCAPCINIKYKHV-FPMFFAJLSA-N 318.381 -0.131 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CCc1nc[nH]n1 1083041430 IKMYXASOXXOROG-QWHCGFSZSA-N 303.366 -0.328 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)C[C@@H](C)N1CCCC1=O 1083246427 QRKRFYLTRORWPD-QLFBSQMISA-N 319.405 -0.068 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](NC(=O)Cn2nc(C)ccc2=O)C1 1083976864 LAPQDAVUHVZZER-KGLIPLIRSA-N 320.393 -0.321 30 20 DBED C#CCN1CC[C@H]1CN(C)C(=O)c1cc(=O)n2[nH]cnc2n1 1085923943 KPXFZGDRJNNIEA-JTQLQIEISA-N 300.322 -0.803 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)[C@H]1C 1088605496 UPCBNZPIPFOMSC-OLZOCXBDSA-N 320.393 -0.298 30 20 DBED COc1cccnc1CC(=O)N[C@@H]1CCN(CC#N)C[C@H]1O 1090519977 MVBDKHDIYWCUTM-DGCLKSJQSA-N 304.350 -0.292 30 20 DBED C#CCCN1CC[C@H](NC(=O)Cn2ccc(C)cc2=O)[C@@H](O)C1 1090608476 DZMXBTDLULHTNX-GJZGRUSLSA-N 317.389 -0.269 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2cnn(C)c2OC)[C@@H](O)C1 1090760187 NRZCEQNBUKEXQU-OLZOCXBDSA-N 306.366 -0.383 30 20 DBED CCO[C@@H](CC)C(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1091078440 QYFRWTNAOPDDOL-AGIUHOORSA-N 319.365 -0.171 30 20 DBED CC(C)(O)CC(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@@H]1O 1091099307 IXQZDBHMKCJRDC-NEPJUHHUSA-N 304.350 -0.220 30 20 DBED COCC(=O)N[C@@H]1CCN(c2cc(C)ncc2C#N)C[C@@H]1O 1092125486 DNNBQTCJBYLGKQ-OCCSQVGLSA-N 304.350 -0.036 30 20 DBED C[C@@H](CC(N)=O)C(=O)NCC1CC(N=c2cc[nH]c(C#N)n2)C1 1092250177 MBNIEBBFYRBPOO-WHXUTIOJSA-N 316.365 -0.412 30 20 DBED N#Cc1ccc(N2C[C@@H]3C(NC(=O)C4(C(N)=O)CC4)[C@H]3C2)nn1 1093355810 IEQLNWNCNYPARY-UWVGGRQHSA-N 312.333 -0.835 30 20 DBED CO[C@H](C(=O)NCCNc1cnc(C#N)cn1)[C@H]1CCOC1 1094011218 BXNJLFAWYKSOKK-GWCFXTLKSA-N 305.338 -0.072 30 20 DBED CN1CCO[C@@H](C(=O)NCCCNc2nccnc2C#N)C1 1094349446 VZHLOXJGDWVYQB-GFCCVEGCSA-N 304.354 -0.403 30 20 DBED Cc1cc(C#N)nc(NCCCNC(=O)[C@H]2CN(C)C(=O)N2)n1 1094709649 VCFMDIDLIMZPJI-LLVKDONJSA-N 317.353 -0.402 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)c3cc(C)ncn3)CC2=O)C1 1094726047 DIMUHQGOVVCXQZ-LBPRGKRZSA-N 315.377 -0.014 30 20 DBED Cc1ncc(CC(=O)N[C@@H]2CC(=O)N(C3CN(CC#N)C3)C2)o1 1094745721 KOJYDGWDQSRWIR-LLVKDONJSA-N 317.349 -0.550 30 20 DBED C=C(C)CCN1CC(N2C[C@H](NC(=O)c3cnn[nH]3)CC2=O)C1 1094754155 ZXUBHDJAYOFHTD-LLVKDONJSA-N 318.381 -0.214 30 20 DBED N#Cc1cncc(NC2CCN(C(=O)CNC(N)=O)CC2)n1 1095215174 WMMDAAISBHRQCN-UHFFFAOYSA-N 303.326 -0.581 30 20 DBED N#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN1CCC(=O)NC1=O 1096293366 IFOZEHZZHRBSEZ-VWYCJHECSA-N 305.338 -0.827 30 20 DBED N#Cc1cncc(N[C@H](CNC(=O)[C@@H]2CNC(=O)N2)C2CC2)n1 1096800623 LHDUKUBCNAVEKB-MNOVXSKESA-N 315.337 -0.664 30 20 DBED COC(=O)c1nc(=N[C@H]2C[C@H](NC(=O)[C@@H](C)C#N)C2)cc[nH]1 1097003578 AUWFHKGPMKTSBR-GUBZILKMSA-N 303.322 -0.096 30 20 DBED C[C@@H](CNC(=O)C[C@@H]1CC(=O)NC1=O)Nc1ccc(C#N)nc1 1097944364 WULBKQSCZVYCNG-VHSXEESVSA-N 315.333 -0.077 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C1CC2(C1)NC(=O)NC2=O 1098021431 MVZDPEFJHLYYHD-ZTTGAQHXSA-N 316.361 -0.671 30 20 DBED C[C@H](CNC(=O)CCS(C)(=O)=O)Nc1nccnc1C#N 1098392640 ICZFTDHEMCONMH-SECBINFHSA-N 311.367 -0.300 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)[C@H]1COC(=O)N1)C[C@H](C)O2 1098592481 NHZVFPRYFNZIML-QWHCGFSZSA-N 321.377 -0.190 30 20 DBED C=CCN1CCC2(CC1)CN(C(=O)Cn1ncnn1)C[C@@H](C)O2 1098600170 VDTDDNOFEXHIDU-CYBMUJFWSA-N 320.397 -0.059 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)c2ccns2)[C@H](O)C1 1099852841 FWXRBTCHHWHLKH-WDEREUQCSA-N 322.390 -0.943 30 20 DBED C#CCN1CC[C@@H](NC(=O)COCc2cc(C)no2)[C@H](O)C1 1099889515 BEDSLEQERRGZIA-ZIAGYGMSSA-N 307.350 -0.316 30 20 DBED CC#CCN1CC[C@H](NC(=O)CCc2nccn2C)[C@H](O)C1 1099929511 ZRXMMLVBTHAJAC-UONOGXRCSA-N 304.394 -0.073 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CNC(=O)c2ccco2)[C@@H](O)C1 1100096696 LVFAJAYIMVXADG-OLZOCXBDSA-N 319.361 -0.416 30 20 DBED C=CCCOCC(=O)N[C@@H]1CCN(CCOCCO)C[C@@H]1O 1100139782 WOGRPDDUKJUDMC-KGLIPLIRSA-N 316.398 -0.861 30 20 DBED C[C@H]1CC(=O)N[C@@H](C(=O)NCCN(C)c2cncc(C#N)n2)C1 1100364217 TURIUYYWEMTZDI-ZYHUDNBSSA-N 316.365 -0.185 30 20 DBED CN(CCNC(=O)C[C@@H]1CCCC(=O)N1)c1cnc(C#N)cn1 1100412263 RXDMUUCGFZKPDR-NSHDSACASA-N 316.365 -0.041 30 20 DBED CCN(CCNC(=O)c1nnn(C)n1)c1cnc(C#N)cn1 1100679270 PRRLJAPJMDYZOF-UHFFFAOYSA-N 301.314 -0.872 30 20 DBED COC(=O)NCC(=O)NC[C@H]1CCCN1c1cnc(C#N)cn1 1100800435 FOKISTUEFZZJRT-LLVKDONJSA-N 318.337 -0.211 30 20 DBED C[C@@H](CC(N)=O)C(=O)NC[C@H]1CCN(c2nccnc2C#N)C1 1101035954 MTCQVQYQLFRKTQ-WDEREUQCSA-N 316.365 -0.198 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H]1CC2(CN(CCO)C2)n2ccnc21 1101629564 WATNTSJPAHOBNN-OLZOCXBDSA-N 318.377 -0.514 30 20 DBED CNC(=O)CC(=O)N1CC[C@@H](CN(C)c2cnc(C#N)cn2)C1 1102439819 NISWKVIWDCEIOP-NSHDSACASA-N 316.365 -0.231 30 20 DBED N#Cc1nccc(N2CCC[C@H](CCNC(=O)CC(N)=O)C2)n1 1102905487 CMSCISNVEMNFHP-LLVKDONJSA-N 316.365 -0.054 30 20 DBED N#Cc1nccnc1N1CCC[C@H](CCNC(=O)CC(N)=O)C1 1102906199 YAAQPSFHWCYRDU-LLVKDONJSA-N 316.365 -0.054 30 20 DBED CC[C@@H](CNC(=O)[C@H]1CN(C)C(=O)N1)Nc1nccnc1C#N 1103261800 UAHJVFBLNYVABE-GXSJLCMTSA-N 317.353 -0.321 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)[C@H]1COCCO1 1103880079 RRIVNLFGAUDUEL-WDEREUQCSA-N 305.338 -0.650 30 20 DBED CCS(=O)(=O)NCC(=O)N1C[C@@H](C)[C@H](CCNCC#N)C1 1104258128 VNLMDVQSZGYKHI-VXGBXAGGSA-N 316.427 -0.477 30 20 DBED CCn1nncc1C(=O)N(C)[C@@H](C)CN=c1cc[nH]c(C#N)n1 1104539517 BZKGOTPDUUPVSK-JTQLQIEISA-N 314.353 -0.046 30 20 DBED C[C@@H](CN=c1cc[nH]cc1C#N)N(C)C(=O)[C@@H]1CNC(=O)N1 1104784387 FYICICWGPSKVDC-CABZTGNLSA-N 302.338 -0.685 30 20 DBED N#CCNCc1cn(C2CN(C(=O)C3CCOCC3)C2)nn1 1105133187 UEOHHOQMWBAZDC-UHFFFAOYSA-N 304.354 -0.299 30 20 DBED COC[C@@H](OC)C(=O)NC[C@@H](N=c1cc[nH]c(C#N)n1)C(C)C 1105282388 FEONFJWLNVESDX-VXGBXAGGSA-N 321.381 -0.016 30 20 DBED CN(CCN(C)c1ncccc1C#N)C(=O)C1CS(=O)(=O)C1 1105479379 BVUMAANBVOARGN-UHFFFAOYSA-N 322.390 -0.108 30 20 DBED CN(CCN(C)c1cnc(C#N)cn1)C(=O)c1c[nH]c(=O)cn1 1105532331 WPZWFUOYQXDRBY-UHFFFAOYSA-N 313.321 -0.360 30 20 DBED Cc1ccc(C#N)c(NC[C@H](O)CNC(=O)c2ncn(C)n2)n1 1105816423 ZBHZKWCFCVOQFL-NSHDSACASA-N 315.337 -0.407 30 20 DBED Cc1conc1C(=O)NC[C@@H](O)CN=c1cc[nH]cc1C#N 1105955141 NTKIWFXGVKUWRL-NSHDSACASA-N 301.306 -0.126 30 20 DBED CO[C@H](CC(C)C)C(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1 1106082545 ZJYYOVNPTGVACG-NWDGAFQWSA-N 321.381 -0.280 30 20 DBED C[C@@]1(C(=O)NC[C@H](O)CNc2ccc(C#N)cn2)CCC(=O)N1 1106082748 CACVSXHWIPYTDH-ABAIWWIYSA-N 317.349 -0.489 30 20 DBED C[C@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)[C@H]1CCNC(=O)C1 1106252537 IZNGPSPCCAAJIT-MNOVXSKESA-N 316.365 -0.397 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)CCn2ncn(C)c2=O)C[C@H]1C 1106471032 PGHVUBDHDKRXMB-ZIAGYGMSSA-N 319.409 -0.321 30 20 DBED CCN(CCNc1nccnc1C#N)C(=O)[C@H]1CCNC1=O 1106909554 LVFLVSNAOCYLNV-JTQLQIEISA-N 302.338 -0.255 30 20 DBED C=CCCN1CC(n2cc(CNC(=O)CC(=O)N(C)C)nn2)C1 1107218984 LLIAXPKSVQQHAU-UHFFFAOYSA-N 320.397 -0.195 30 20 DBED C[C@]1(C(=O)NC/C=C\CN=c2cc[nH]cc2C#N)CCNC1=O 1107508838 QKYVUDTUERVAAR-RXYHWBRQSA-N 313.361 -0.014 30 20 DBED C=CCCn1cc(C(=O)NC[C@@]2(C)CN(CCO)CCO2)nn1 1108270595 LFQRGYIQWCOURH-HNNXBMFYSA-N 323.397 -0.333 30 20 DBED C=CCOCCN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1ncnn1)C2 1108687407 DGRUGHWOURPVEC-MJBXVCDLSA-N 320.397 -0.155 30 20 DBED C[C@@H](CN(C)c1ncccc1C#N)NC(=O)[C@H]1CNC(=O)N1 1109210942 LZIGROOJEGMPES-GXSJLCMTSA-N 302.338 -0.424 30 20 DBED CN(CCCNc1nccnc1C#N)C(=O)C1(C(N)=O)CC1 1109613156 MJMHOLDWRQBKJC-UHFFFAOYSA-N 302.338 -0.126 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCN1CCNC1=O 1110401414 CDQPLENBBPGQAC-LOWDOPEQSA-N 305.382 -0.107 30 20 DBED COCCS(=O)(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC#N 1110729191 AQPXWHDHKNURMN-UTUOFQBUSA-N 315.395 -0.707 30 20 DBED CO[C@@H](C)C(=O)N(C)[C@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1111171229 VHVZREMDELVAJV-DLOVCJGASA-N 305.338 -0.609 30 20 DBED C[C@H](Nc1ccc(C#N)nn1)[C@H]1CCN(C(=O)CNC(N)=O)C1 1111205964 RTGIPBNPPASIQN-UWVGGRQHSA-N 317.353 -0.335 30 20 DBED C[C@H]1CN(C(=O)CCNC(N)=O)C[C@@H]1N=c1cc[nH]cc1C#N 1112313066 PIIJUMSHQYCVLF-GWCFXTLKSA-N 316.365 -0.308 30 20 DBED C[C@@H](C(=O)NC(N)=O)N1CCN(C(=O)C#CC(C)(C)C)CC1 1112834086 BAGOFAAIVRZZAM-NSHDSACASA-N 308.382 -0.237 30 20 DBED Cc1c(C(=O)N[C@@H](C)[C@H](C)N=c2cc[nH]c(C#N)n2)nnn1C 1112948342 CYQHTIBOXPUYMI-IUCAKERBSA-N 314.353 -0.174 30 20 DBED CN(CC(=O)N1CCN(CC(=O)NCC#N)CC1)C1CCC1 1112967288 ICNVPKGNCWBTMZ-UHFFFAOYSA-N 307.398 -0.745 30 20 DBED C[C@H](CC(=O)N1CCN(CC(=O)NCC#N)CC1)n1ccnc1 1113387700 MHTQESDYILBUAB-CYBMUJFWSA-N 318.381 -0.382 30 20 DBED Cc1nc(CC(=O)NC[C@@H](C)N(C)c2ccnc(C#N)n2)n[nH]1 1113585981 SCRCPNBBAFWTRE-SECBINFHSA-N 314.353 -0.042 30 20 DBED Cc1cnc(C(=O)N[C@H]2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]32)cn1 1113801465 ULUSHWZYZOQJMD-YABSGUDNSA-N 314.349 -0.915 30 20 DBED N#CCNC(=O)CN1C[C@H]2C(NC(=O)c3ccccc3O)[C@@H]2C1 1113883945 ZCAVZJNQOHSUJP-VXGBXAGGSA-N 314.345 -0.308 30 20 DBED C=CCOCCN1C[C@@H]2C(NC(=O)c3nccnc3N)[C@H]2C1 1114057713 NVGNXKGICSFQCL-QWRGUYRKSA-N 303.366 -0.079 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3nn(C)cc3C)[C@H]2C1 1114247866 PZZGZPBUBUCENO-RYUDHWBXSA-N 315.377 -0.862 30 20 DBED CC#CCN1C[C@H]2C(NC(=O)CS(=O)(=O)CCOC)[C@@H]2C1 1114480235 JVTWCRWDLRIBIL-VXGBXAGGSA-N 314.407 -0.883 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)C3(COC)CC3)[C@H]2C1 1114567748 CAFZLAYKFQFOPB-IGQOVBAYSA-N 319.405 -0.403 30 20 DBED CC(C)[C@H](C(=O)NC1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]12)N(C)C 1114799333 VJBVHVAIOQHSIK-LALPHHSUSA-N 321.425 -0.741 30 20 DBED C[C@H](CCCN=c1cc[nH]c(C#N)n1)NC(=O)[C@@H]1CCC(=O)N1 1114966405 CPJWYCCDPXWVNK-MNOVXSKESA-N 316.365 -0.254 30 20 DBED CNC(=O)NCCC(=O)N(C)C[C@H](C)Nc1ccc(C#N)nn1 1115704264 IZCYJCHLSIZIOV-JTQLQIEISA-N 319.369 -0.074 30 20 DBED C[C@@H](CN(C)C(=O)Cn1cncn1)N=c1cc[nH]c(C#N)n1 1115728626 GJXUCBSSYPSLFZ-JTQLQIEISA-N 300.326 -0.679 30 20 DBED C#C[C@H](CC)NC(=O)C(=O)Nc1cnn(CC(=O)N(C)C)c1 1116758559 VLZYXLKMVDNNKF-SNVBAGLBSA-N 305.338 -0.562 30 20 DBED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2cc(C)on2)CC1 1116952462 VKSHISYXKULYJA-UHFFFAOYSA-N 318.333 -0.090 30 20 DBED C[C@@H]1CC(=O)NCCN1C(=O)C(=O)NCc1ccc(C#N)cc1 1117191228 HCYNGXKCJACNRQ-LLVKDONJSA-N 314.345 -0.089 30 20 DBED C#CCSCCNC(=O)C(=O)NCC1([S@@](C)=O)CCC1 1117412133 MGTLBZDOXVBZSF-HXUWFJFHSA-N 316.448 -0.114 30 20 DBED C=CCCn1cc(C(=O)NC[C@@H](O)CN2CCCC2=O)nn1 1118090240 GEPMKTMZPDRGPO-LLVKDONJSA-N 307.354 -0.433 30 20 DBED C=C[C@@H](O)C(=O)N1CCC(N2CCS(=O)(=O)CC2)CC1 1118694771 IVBGCLRYWKDHEJ-GFCCVEGCSA-N 302.396 -0.745 30 20 DBED Cc1cnn(CC(=O)NC[C@@H](CO)Nc2nccnc2C#N)c1 1121158087 LFELTCWBQUCAGC-NSHDSACASA-N 315.337 -0.558 30 20 DBED Cc1cc(C#N)nc(N[C@@H](CO)CNC(=O)c2ccnn2C)n1 1121179184 ZNHHJDNJWNGMII-LLVKDONJSA-N 315.337 -0.407 30 20 DBED CC#CCNC1CC2(C1)CC(NC(=O)CN1CCOCC1=O)C2 1121237770 DXDBUXVUCVIHFM-UHFFFAOYSA-N 319.405 -0.115 30 20 DBED CN1CCC[C@@H]1C(=O)NC[C@@H](CO)Nc1cncc(C#N)n1 1121242902 SFPSOWIUXZFXSR-NWDGAFQWSA-N 304.354 -0.669 30 20 DBED Cc1cc(C(=O)NC[C@H](CO)N=c2cc[nH]c(C#N)n2)ncn1 1121310419 HZONEVXFTRVONR-SNVBAGLBSA-N 313.321 -0.929 30 20 DBED N#Cc1cnc(N[C@H](CO)CNC(=O)c2ncccc2O)cn1 1121339512 KQNXNAJAMXRHCG-JTQLQIEISA-N 314.305 -0.348 30 20 DBED C[C@@](O)(CC(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1)C1CC1 1121339703 MLTJGDJFNJKHFG-IAQYHMDHSA-N 319.365 -0.790 30 20 DBED COCC[C@@H](C)C(=O)NC[C@H](CO)Nc1cncc(C#N)n1 1121607489 PBYUKKOKYAUJGD-ZYHUDNBSSA-N 307.354 -0.090 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H](CO)Nc1cc(C)nc(OC)n1 1122035208 FZWCGEXHAOBBHG-RYUDHWBXSA-N 322.365 -0.279 30 20 DBED Cc1cnn(C)c1C(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1 1122343437 ZIDHELIHCJRAQB-SNVBAGLBSA-N 315.337 -0.985 30 20 DBED CN(C[C@H](O)CNc1nc[nH]c2ncnc1-2)C(=O)C#CC1CC1 1124283546 NCZLRMHCDVQNBS-LLVKDONJSA-N 314.349 -0.051 30 20 DBED CN(C[C@@H](O)CNc1ccc(C#N)nn1)C(=O)c1ncn(C)n1 1124295733 KNPNIZZMGOZUKV-JTQLQIEISA-N 316.325 -0.978 30 20 DBED Cc1nc[nH]c1C(=O)N(C)C[C@H](O)CNc1cnc(C#N)cn1 1124398927 GPIXZFQIRKJRSF-LLVKDONJSA-N 315.337 -0.075 30 20 DBED C=CCCO[C@@H](C)C(=O)NCCNCC(=O)NCCCOC 1124488172 LAKQXNAWVUIUSI-ZDUSSCGKSA-N 315.414 -0.174 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)[C@H]1CCCOC1 1124686191 LHMKCDLHCBTDQN-ZDUSSCGKSA-N 310.398 -0.119 30 20 DBED CCOCC(=O)N(C)C[C@H](O)CN(C)c1ccnc(C#N)n1 1124950098 DZWMMKKFUJSSRO-LLVKDONJSA-N 307.354 -0.360 30 20 DBED CN(C[C@@H](O)CN(C)c1ccnc(C#N)n1)C(=O)c1cnco1 1125231289 QGPYSQGCHMDDNV-JTQLQIEISA-N 316.321 -0.094 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)Cn1cccc(C)c1=O 1127189228 IWTIBUWMYIEAMN-ZDUSSCGKSA-N 320.393 -0.447 30 20 DBED CN(CCOCCN=c1cc[nH]c(C#N)n1)C(=O)[C@@H]1CCOC1 1127199413 TUVDNTLTAACCLG-GFCCVEGCSA-N 319.365 -0.306 30 20 DBED COCC#CCNCCNC(=O)c1cc(O)nc2ncn(C)c12 1129199286 JKPBCELQXQWPKP-UHFFFAOYSA-N 317.349 -0.357 30 20 DBED N#CCNC(=O)CNCCNC(=O)[C@@H]1CCCc2nccn21 1129417807 PGLYCVKEXJYMHA-NSHDSACASA-N 304.354 -0.894 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)CC)C[C@@H]1n1ccnn1 1129506805 OJNIUNRQPZNNHR-XQQFMLRXSA-N 318.381 -0.833 30 20 DBED C=CCN[C@@H]1CN(C(=O)CCCC(N)=O)C[C@@H]1n1ccnn1 1130155330 AWYOBIGVCIRANB-NEPJUHHUSA-N 306.370 -0.539 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)C2=COCCO2)CC[C@@H]1C 1131767545 BOFZTGMSYDKGLH-STQMWFEESA-N 321.377 -0.407 30 20 DBED C#CCNC(=O)CN1C[C@H](NC(=O)c2ncccn2)CC[C@H]1C 1132377495 XWHDTGVBPQHANS-CHWSQXEVSA-N 315.377 -0.191 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)[C@@H]2CCC(=O)N2C)C1=O 1132529091 ZHMJLRPEHJGDQI-NEPJUHHUSA-N 308.382 -0.900 30 20 DBED C#CCNC[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)CC[C@@H]1C 1133305836 GMJVREBPYSMFEL-NWDGAFQWSA-N 306.366 -0.754 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)c1cc(=O)n(C)o1)NCC(=O)NCC#N 1134219568 OUWQVAALSLSQCL-VHSXEESVSA-N 323.353 -0.895 30 20 DBED COCC#CCN[C@H](C)C[C@H](C)NC(=O)C1CN(C(C)=O)C1 1134240133 MMRQLVORXDOVHJ-OLZOCXBDSA-N 309.410 -0.013 30 20 DBED COCC#CCNCCNC(=O)C1(N2CCOCC2)CCCC1 1134613812 QWIDQBIKQUSVHR-UHFFFAOYSA-N 323.437 -0.013 30 20 DBED C#CCCN[C@H](C)C[C@@H](C)NC(=O)CN1C(=O)C(=O)N(C)C1=O 1135593620 SBYPXUKSMWOCAW-GHMZBOCLSA-N 322.365 -0.697 30 20 DBED C=CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)c1cnn(C)n1 1135682329 HDQHZPVLPRLAHU-MNOVXSKESA-N 308.386 -0.396 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)Cc1ncc[nH]1 1135761130 ZQYBOCMXHMUVRI-UHFFFAOYSA-N 306.370 -0.580 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC2(CN(C(=O)[C@@H](C)OC)C2)C1 1147080151 WTAMCFHHPQCSIR-CHWSQXEVSA-N 307.394 -0.307 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)CCCC(=O)NCC)C1=O 1148190906 HWNPROSODLMMJD-ZDUSSCGKSA-N 324.425 -0.215 30 20 DBED C#CCNC(=O)CN1CCCO[C@H](CNC(=O)C(F)F)C1 1148994978 MMYJHUXOLLXWBS-SNVBAGLBSA-N 303.309 -0.792 30 20 DBED C#Cc1ccccc1CC(=O)NCCNCC(=O)NC(=O)NC 1149117351 HJWHMWZTTDUZKS-UHFFFAOYSA-N 316.361 -0.628 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN([C@H]2CCNC2=O)CCCO1 1149694060 HNHJUFAPOLLRBM-KBPBESRZSA-N 305.378 -0.505 30 20 DBED CC#CCN1CCCO[C@H](CNC(=O)[C@@H](C)S(C)(=O)=O)C1 1149903639 NRJRGZWKRSPVEV-CHWSQXEVSA-N 316.423 -0.350 30 20 DBED CCCCS(=O)(=O)CC(=O)NCCNCC#CCOC 1152604142 VPWAIZFBUXWEIG-UHFFFAOYSA-N 304.412 -0.443 30 20 DBED C=CCCOCC(=O)NCCN[C@H](C)C(=O)NCCCOC 1153091032 CYTGRWQPGURAOP-CYBMUJFWSA-N 315.414 -0.174 30 20 DBED C=C(C)CN(CC)C(=O)CNCCCNC(=O)c1ncn(C)n1 1157494304 YWJLBDMLRPMJLI-UHFFFAOYSA-N 322.413 -0.051 30 20 DBED C#CCNC(=O)CN1CC=C(CCNC(=O)CCOC)CC1 1159007918 FXHFOQXNRKSLSD-UHFFFAOYSA-N 307.394 -0.089 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@@H]1CCc2nccn2C1 1161300100 DRNQXXHOKOYYBU-CYBMUJFWSA-N 319.409 -0.156 30 20 DBED C#CCO[C@H](C)C(=O)NCCC1(CNC[C@@H](O)COC)CC1 1164508920 OYNZYVYCCLABDY-ZIAGYGMSSA-N 312.410 -0.092 30 20 DBED C#CCNCCCC[C@@H](C)NC(=O)C[C@H](NC(C)=O)C(N)=O 1175581940 WBYAKTCGDBNMHK-YPMHNXCESA-N 310.398 -0.736 30 20 DBED C#CCNCCCCCCNC(=O)CCCS(N)(=O)=O 1179426335 VIMIXQHXTKHDNK-UHFFFAOYSA-N 303.428 -0.046 30 20 DBED C[C@@H]1CN(C(=O)c2cnn[nH]2)C[C@@]1(C)CNCC(=O)NCC#N 1181977308 XMTKUAOGOAYWCS-QMTHXVAHSA-N 319.369 -0.868 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)CCc2ccon2)C1 1184247662 DUXASZKGPUSBSG-CYBMUJFWSA-N 304.350 -0.453 30 20 DBED C#CCN1C[C@@H]2CCN(C(=O)CN(C)S(=O)(=O)CC)[C@@H]2C1 1189621105 FDCRQCJNAOLFJK-QWHCGFSZSA-N 313.423 -0.566 30 20 DBED C=CCNC(=O)[C@H](C)N(C)[C@@H]1CCN(C(=O)CC(=O)NCC)C1 1189787671 PPDRTAPRZXQTQO-QWHCGFSZSA-N 324.425 -0.264 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)[C@]2(F)CCOC2)C1 1191947302 ICAMQXYGXLDTKM-DOMZBBRYSA-N 313.373 -0.050 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(Cc2ccc(OC)nn2)C[C@H]1O 1192503582 FWTKLWSGSVZFGT-ZIAGYGMSSA-N 318.377 -0.050 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(CC[C@@H]2CCOC2)C[C@H]1O 1192891875 RDMPVFZEZKQMSX-RBSFLKMASA-N 310.394 -0.386 30 20 DBED C#CCO[C@H](C)C(=O)N1CCCN(CCS(C)(=O)=O)CC1 1195792724 YXDVCVGXBAXRGZ-CYBMUJFWSA-N 316.423 -0.396 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)[C@H]2CCC(=O)NC2)CC1 1196388874 VJJXYHNXIOBNKD-ZDUSSCGKSA-N 322.409 -0.651 30 20 DBED C=CCC(C)(C)C(=O)N[C@@H]1CN([C@@H]2CCN(C)C2=O)C[C@H]1O 1196482940 VZOZGUZEPBFCDJ-JHJVBQTASA-N 309.410 -0.019 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)C[C@H](C)n2cccn2)C1 1197620971 SGQRLNOBHRXKFH-RRFJBIMHSA-N 320.393 -0.355 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2cnsn2)C[C@H]1O 1199313945 MZJHDCQTIKAMLX-YUSALJHKSA-N 312.395 -0.210 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)CCn2cncn2)CCCO1 1199853840 SHBIFLFBZNJERB-CQSZACIVSA-N 305.382 -0.101 30 20 DBED CCn1nnc(C)c1C(=O)N1CCCO[C@H](CNCC#N)C1 1200673026 JZNCFIXBMJAQOY-GFCCVEGCSA-N 306.370 -0.049 30 20 DBED N#CCNC[C@H]1CN(C(=O)c2nc3ncccn3n2)CCCO1 1201695071 JXWWGHCJKXNYIE-NSHDSACASA-N 315.337 -0.531 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)c2cnns2)[C@H](C)C1 1206254021 UOFUQSQOXOPCRF-NXEZZACHSA-N 309.395 -0.110 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)C[C@H]2COC(=O)C2)[C@H](C)C1 1206871116 YSJNUFTWISXFHM-JHJVBQTASA-N 321.377 -0.875 30 20 DBED C#CCCN1C[C@@H](NC(=O)CCCS(N)(=O)=O)[C@H](C)C1 1208458768 XPQYBWRYHZSQCE-VXGBXAGGSA-N 301.412 -0.485 30 20 DBED CN(C)CC1(C(=O)N2CCC[C@@H](NCC(=O)NCC#N)C2)CC1 1209277107 FZNGTZUZLPDNGY-CYBMUJFWSA-N 321.425 -0.451 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)c2ccn(CC)n2)C1 1209950298 DZAPTQPUUMABOM-ZDUSSCGKSA-N 317.393 -0.153 30 20 DBED C#CCCN1C[C@@H](NC(=O)COC2CCN(C)CC2)[C@H](OC)C1 1213638518 RXOPFHANWPIXFI-HZPDHXFCSA-N 323.437 -0.064 30 20 DBED C=CCCN[C@@H]1CN(C(=O)CNS(=O)(=O)NC)C[C@H]1C 1215236863 MOEGCKCCWPLISI-GHMZBOCLSA-N 304.416 -0.947 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2cnon2)C[C@H]1C 1216016481 LZODDDWIZUVUEA-JFGNBEQYSA-N 307.354 -0.190 30 20 DBED CC#CCN[C@@H]1CN(C(=O)COCc2ncnn2C)C[C@H]1C 1216140340 NYGSCPGNRPHMBL-CHWSQXEVSA-N 305.382 -0.209 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)C[C@H](C)OC 1217481929 VDULVVAHLQHZRU-MELADBBJSA-N 323.393 -0.928 30 20 DBED Cn1cc(CN2C[C@H](O)[C@H](NC(=O)CSCC#N)C2)cn1 1219219731 KLRYJTJVEHXPAW-NEPJUHHUSA-N 309.395 -0.662 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)[C@H](C)CSC)C1 1219369107 SLOKTHDUSWKTGZ-UPJWGTAASA-N 300.424 -0.203 30 20 DBED CCCN1CCC[C@H]1C(=O)N[C@@H]1CN(CC#CCOC)C[C@@H]1O 1219746336 ONIVDZWQVYEPAS-PMPSAXMXSA-N 323.437 -0.328 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H](C)CC(C)(C)C)C1 1220490451 FWEPPCCNSFUSMN-MJBXVCDLSA-N 323.437 -0.031 30 20 DBED C=CCO[C@@H](C)C(=O)N1C[C@H]2CCN(Cc3nnn(C)n3)C[C@H]21 1222069745 WSMHTRYFLNGPMW-YNEHKIRRSA-N 320.397 -0.166 30 20 DBED C=CCNC(=O)CN1CCC(CNC(=O)[C@@H](C)CC(N)=O)CC1 1224014015 PLSUGPUXFHJOOF-LBPRGKRZSA-N 324.425 -0.372 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCC#N 1226186998 GGUQRNVSQSEPFK-MGPQQGTHSA-N 320.393 -0.319 30 20 DBED CCNC(=O)NC(=O)[C@@H](C)N1CCC(NC(=O)[C@H](C)C#N)CC1 1226617266 CTJVYPCLMCSZGR-GHMZBOCLSA-N 323.397 -0.039 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cnn[nH]1 1227260614 XOFIYDSJVMEVFQ-GHMZBOCLSA-N 304.354 -0.815 30 20 DBED COCCOC[C@H](O)CN1CC[C@H]1CN(C)C(=O)C#CC1CC1 1234178696 NKRZOCSELMRXFW-JKSUJKDBSA-N 324.421 -0.044 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C[C@@H]1CCN1Cc1nc(O)n[nH]1 1234267366 YBCYSPCDTRDNMQ-MNOVXSKESA-N 307.354 -0.419 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)CO[C@H]1CCOC1 1234286354 MVDMPDGOVYBERA-KGLIPLIRSA-N 323.393 -0.926 30 20 DBED C#CCN1CC[C@@H]1CN(C)C(=O)CN1C(=O)CC(C)(C)C1=O 1234356308 HAPFIRMWKNAAGO-GFCCVEGCSA-N 305.378 -0.063 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)NCc1cccn1C 1261176879 FZYFODPCNDIMLW-UHFFFAOYSA-N 313.379 -0.642 30 20 DBED C=CCn1c(-c2ncnn2C)nnc1N1CCN(C)C(=O)[C@@H]1C 1262993874 RXPCDDRGQUHNTK-JTQLQIEISA-N 316.369 -0.074 30 20 DBED C=C[C@@H](COC)NC(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1 1320322823 UNNSVXRLFOBPPQ-ZJUUUORDSA-N 316.383 -0.596 30 20 DBED CCN(C)C(=O)COC(=O)CCN/C(O)=C1\N=CC=CC1=O 1322045759 VOKLQHDPZASUQF-BUHFOSPRSA-N 309.322 -0.076 30 20 DBED C#CCC[C@H](O)CNC(=O)COCC(=O)NCc1cccnc1 1322587179 AUAOCQOJVNHYJB-AWEZNQCLSA-N 319.361 -0.395 30 20 DBED C#CCSCCNC(=O)C(=O)N1CCC[C@@]12CCOC2=O 1323112636 GCCFYMYFPTVDQM-AWEZNQCLSA-N 310.375 -0.223 30 20 DBED C=CCn1cc(CNC(=O)C(=O)NC[C@@H]2CCCN2CC)nn1 1325948038 RFAYYDUAJOBXHO-ZDUSSCGKSA-N 320.397 -0.319 30 20 DBED C#CC1CCN(C(=O)C(=O)NCCCCS(C)(=O)=O)CC1 1326922665 GJGARPAMPQHIKL-UHFFFAOYSA-N 314.407 -0.201 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCC[C@@H](OCCO)C1)[C@H]1CCCO1 1327259726 VCAMLYKIIYNNCW-HZSPNIEDSA-N 324.377 -0.717 30 20 DBED C#C[C@H](NC(=O)C(=O)NCc1cn(CC=C)nn1)[C@H]1CCCO1 1332043289 ONBKEOSFOZXPAE-QWHCGFSZSA-N 317.349 -0.623 30 20 DBED C=CCOCCn1nnnc1N1CC[C@@H](N2CCOC2=O)C1 1334173588 RFLLDKYCRGDZRA-LLVKDONJSA-N 308.342 -0.093 30 20 DBED C[C@H](Cn1cccn1)NC(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1345838769 DHQWVIBGFDUTLN-RISCZKNCSA-N 305.338 -0.735 30 20 DBED C=CCOCCNC(=O)C(=O)N1CCC[C@H](n2ccnn2)C1 1346728721 YNIQZJHLFXMHSO-LBPRGKRZSA-N 307.354 -0.240 30 20 DBED C=CCn1cc(CNC(=O)C(=O)NCCOCC2CC2)nn1 1349023991 INMIFJPOPGMGNV-UHFFFAOYSA-N 307.354 -0.377 30 20 DBED C[C@@H]1C[C@@H](CNC(=O)C(=O)N2CCN(CCC#N)CC2)CCO1 1352610698 YJOHLUWORSIVTA-KGLIPLIRSA-N 322.409 -0.024 30 20 DBED CC[C@@H](C)[C@@](C)(O)CNC(=O)Cn1cc(C#N)c(O)nc1=O 1361970731 NQTIKGSSVSNARP-OTYXRUKQSA-N 308.338 -0.266 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)NCC2(C#N)CCOCC2)CCO1 1365748103 REPATZAJRYXMMX-LLVKDONJSA-N 314.367 -0.634 30 20 DBED C=C(Cl)CN(C)CCNC(=O)CNC(=O)CNC(C)=O 1372019687 ZPFKNDBPBYLICF-UHFFFAOYSA-N 304.778 -0.961 30 20 DBED Cn1nnc(CN2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)n1 1374269702 YAEXNSNZANZEPA-UHFFFAOYSA-N 300.326 -0.632 30 20 DBED C[C@H](C#N)C(=O)N(C)CCN(C)C(=O)[C@H]1CCS(=O)(=O)C1 1376336303 CHFXLDRCZAXJJB-MNOVXSKESA-N 315.395 -0.502 30 20 DBED C=C(Cl)CN[C@@H](C)CN(C)C(=O)CN1CCNC(=O)C1 1379198954 OIZZUIJUJMWMPZ-NSHDSACASA-N 302.806 -0.393 30 20 DBED CC(C)c1cc(C(=O)NC[C@@H](O)CNC(=O)[C@H](C)C#N)nn1C 1392102252 QXBMELBTXFHHDD-MNOVXSKESA-N 321.381 -0.090 30 20 DBED C[C@@H](C#N)C(=O)N(C)C[C@@H]1CCN(C(=O)CN2CCOCC2)C1 1408990512 ZTDUHQOJHUWKDU-KBPBESRZSA-N 322.409 -0.215 30 20 DBED CC(C)OC(=O)CCNC(=O)Cn1cc(C#N)c(O)nc1=O 1411611890 KMYIAOXHEDVZMZ-UHFFFAOYSA-N 308.294 -0.722 30 20 DBED Cn1cc(NC(=O)Cn2cc(C#N)c(O)nc2=O)ccc1=O 1412445388 SYLXFCWBEGVFMR-UHFFFAOYSA-N 301.262 -0.842 30 20 DBED COC(=O)c1cccn(CC(=O)N2CC(O)(CC#N)C2)c1=O 1412838076 LOSTULPHXHUOGG-UHFFFAOYSA-N 305.290 -0.878 30 20 DBED CCN(CCC#N)S(=O)(=O)N[C@@H](CO)Cc1cnn(C)c1 1424258292 MIKDOKGTFMMNFX-GFCCVEGCSA-N 315.399 -0.607 30 20 DBED COCCN(CCNC(=O)[C@H]1CCC(=O)N1)C(=O)[C@H](C)C#N 1428405667 OKKQLVQJJYIGBF-GHMZBOCLSA-N 310.354 -0.984 30 20 DBED CCS(=O)(=O)N[C@H](C)C(=O)N(C)CCNC(=O)[C@H](C)C#N 1431476725 AETGSKUGSQGTOO-NXEZZACHSA-N 318.399 -0.952 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CC[C@H](NC(=O)[C@H]2COC(=O)N2)CC1 1451362094 UOIPPWNHJYKZHH-XWLWVQCSSA-N 308.338 -0.202 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H](O)CNC(=O)[C@@]2(F)CCOC2)c1 1452329012 KOLWGVFONIOPBW-IINYFYTJSA-N 324.312 -0.778 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)COc1ccccc1 1458043041 ZMECNLVNGUTFIG-NWDGAFQWSA-N 305.334 -0.182 30 20 DBED N#Cc1ccc(F)c(CS(=O)(=O)N[C@@H]2COC[C@@H]2O)c1 1464209918 YEORRAAKVXZRCF-NEPJUHHUSA-N 300.311 -0.124 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)[C@@H](C)S(C)(=O)=O)CC1 1506134245 JDMXIPNGBBMHIA-DTWKUNHWSA-N 301.368 -0.656 30 20 DBED C[C@@H]1[C@H](Nc2cnc(C#N)c(-c3nn[nH]n3)n2)CCS1(=O)=O 1580390200 YBNCVYWSWSXGDU-RNFRBKRXSA-N 320.338 -0.484 30 20 DBED C#CCN(CC(=O)O)S(=O)(=O)c1ccc2c(c1)OCC(=O)N2 1588426446 JZBNNEJIDHHLMU-UHFFFAOYSA-N 324.314 -0.274 30 20 DBED C#CCNC(=O)CN1CC=C(CNC(=O)[C@H]2C[C@@H]2C(=O)O)CC1 1588483643 GCOJWVNLAAHCJS-STQMWFEESA-N 319.361 -0.795 30 20 DBED C=CCN(C)C[C@H](O)CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 1588626855 SPJHROLUBOUDOI-NSHDSACASA-N 319.369 -0.255 30 20 DBED C[C@@H](CC#N)C(=O)NS(=O)(=O)N1CCC(C(=O)O)CC1 1592211391 LKISUVZWRCIJMX-QMMMGPOBSA-N 303.340 -0.306 30 20 DBED CN(CCC(=O)O)C(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1593731351 LPQYNYOQUNUXEC-NSHDSACASA-N 308.338 -0.882 30 20 DBED C#CCCCC(=O)NS(=O)(=O)N1CCC(C(=O)O)CC1 1602701564 NTNPABOZPMQHIO-UHFFFAOYSA-N 302.352 -0.053 30 20 DBED C=CCOC[C@@H](NS(=O)(=O)CC1(N(C)C)CC1)C(=O)O 1602914856 ILSYFBLMWGFQAG-SNVBAGLBSA-N 306.384 -0.344 30 20 DBED COC(=O)[C@@]1(C)CCN(c2cnc(C#N)c(-c3nn[nH]n3)n2)C1 1604914480 IVKAQKKUJFTZQX-ZDUSSCGKSA-N 314.309 -0.082 30 20 DBED N#Cc1ncc(-n2ccc(=O)c([N+](=O)[O-])c2)nc1-c1nn[nH]n1 1606397539 SXHOWAJMLIGFSW-UHFFFAOYSA-N 311.221 -0.413 30 20 DBED CC(=O)NC[C@H]1CN(c2ccc(C(=O)O)nc2C#N)CCO1 1609621330 ATWNYSRPYYAMHZ-JTQLQIEISA-N 304.306 -0.007 30 20 DBED N#CCN1CCN(CCNC(=O)[C@@H]2CCc3cncn3C2)CC1 1752367174 IFSQTZAWTYAXNB-CQSZACIVSA-N 316.409 -0.297 30 20 DBED C#CCCN1CCN(CCNC(=O)[C@H](CC)NC(C)=O)CC1 1752374260 BQLAOZJFFZRHMD-HNNXBMFYSA-N 308.426 -0.342 30 20 DBED CCN(CCNC(=O)[C@]1(C)CCCOC1)CC(=O)NCC#N 1753092003 BLJSITMAVMQWQY-OAHLLOKOSA-N 310.398 -0.119 30 20 DBED C#CCN1CC[C@H](N(C)C(=O)CNC(=O)c2ccccn2)C1 1753450089 PDWYPEBOQKTCKY-ZDUSSCGKSA-N 300.362 -0.023 30 20 DBED C#CCN1CC[C@H](N(CC)C(=O)CS(=O)(=O)CCOC)C1 1753457603 VBWDHNDBUNQINQ-ZDUSSCGKSA-N 316.423 -0.396 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H](C)CNCc1nc(=O)n(C)[nH]1 1753713865 PCIXHANJOUHABA-TUAOUCFPSA-N 323.397 -0.364 30 20 DBED C=CCN1CC[C@H](NC[C@@H](C)NC(=O)c2cn(C)nn2)C1=O 1754224672 TVWHJIHFJLJYCU-MNOVXSKESA-N 306.370 -0.690 30 20 DBED C=CCNC(=O)CNC[C@H](NC(=O)c1cnnc(O)c1)C1CC1 1754443814 FKCUOAHHFYXWBM-LBPRGKRZSA-N 319.365 -0.418 30 20 DBED CC[C@H]1CN(C(=O)CCOC)CC[C@H]1NCC(=O)NCC#N 1754476341 JGIZXKRJYDCSPR-QWHCGFSZSA-N 310.398 -0.121 30 20 DBED C#CCN(C(=O)c1cnsn1)C1CCN([C@H](C)C(N)=O)CC1 1754632991 JLNYCHUECIYYDC-SNVBAGLBSA-N 321.406 -0.048 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@](C)(NC(=O)c2ncc[nH]2)C1 1754669700 GFEXSSDJJKZMRR-NHYWBVRUSA-N 303.366 -0.258 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@]1(C)CCN(CC(=O)NC(=O)NC)C1 1754671493 ZJDLSCCDLXBBKD-ABAIWWIYSA-N 324.381 -0.939 30 20 DBED C[C@]1(NC(=O)c2ncccn2)CCN(CC(=O)NCC#N)C1 1754681281 DKWXIUMEVPRWTJ-AWEZNQCLSA-N 302.338 -0.689 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(Cc2cc(OC)no2)C1 1754767887 WPGFVYWQFGHUCV-NSHDSACASA-N 323.349 -0.616 30 20 DBED COCC1(C(=O)N2CC[C@@H]([C@H](C)NCC(=O)NCC#N)C2)CC1 1754801352 OLGHMRVYOFTMCG-QWHCGFSZSA-N 322.409 -0.121 30 20 DBED N#CCNC(=O)CN1CCC[C@H](NC(=O)Cn2ccnc2)CC1 1755033907 HOJJYCMLASZFEN-ZDUSSCGKSA-N 318.381 -0.506 30 20 DBED C=CCCCN[C@@H](C)[C@H]1CN(C(=O)c2nnn(C)n2)CCO1 1755446939 YTMYEMPXRMQFCV-NWDGAFQWSA-N 308.386 -0.005 30 20 DBED C=CCNC(=O)CN[C@@H](CO)CNC(=O)C1CCC(F)CC1 1755638532 XGYHXLSMBDBRAS-WXRRBKDZSA-N 315.389 -0.116 30 20 DBED CC(C)(C(N)=O)C(=O)N[C@@H]1CC[C@@H](CNCC(=O)NCC#N)C1 1755736571 XYIYLUQQHOQZDH-GHMZBOCLSA-N 323.397 -0.988 30 20 DBED C#CCCNC[C@H](O)CN(C)C(=O)c1ccc2oc(O)nc2n1 1755792349 UDVSPOCVMNWKTH-JTQLQIEISA-N 318.333 -0.026 30 20 DBED C=CCCN1CC=C(CNC(=O)CN2CCNC(=O)C2)CC1 1755891260 XLIIOKXQRRNEDP-UHFFFAOYSA-N 306.410 -0.257 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H](C)N(C)C(=O)Cn1cncn1 1756027124 NEHBELVNDAWBDK-RYUDHWBXSA-N 307.354 -0.721 30 20 DBED C=CCOCC(=O)N(C)C[C@@H]1CCN1C(=O)c1nnn(C)n1 1757278908 RNQXNMWRRYVNRU-JTQLQIEISA-N 308.342 -0.914 30 20 DBED COCc1cc(CS(=O)(=O)N[C@H](CCC#N)C(=O)O)no1 1777231424 INWGJOCEDDMQNN-SNVBAGLBSA-N 317.323 -0.003 30 20 DBED C=CCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)NC(C)=O)C2)C1 1783181733 NJTIZHGZXMCIFB-MLGOLLRUSA-N 323.393 -0.083 30 20 DBED C[C@]1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CC#N)CCCN1 1795086211 WMNSNUSYRSJINM-FAXLKDOZSA-N 320.393 -0.368 30 20 DBED CC(C)[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN 1795525020 PUHCNMRFNYSAGO-LFSVMHDDSA-N 315.439 -0.511 30 20 DBED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)[C@H](C)O)C2 1841055458 GSWANMJQCTWGMH-FJOGCWAESA-N 321.377 -0.571 30 20 DBED CC[C@H](NC(N)=O)C(=O)N1CCCC12CN(C(=O)CCC#N)C2 1843336283 HZMVNMQWSDJESU-NSHDSACASA-N 321.381 -0.060 30 20 DBED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)[C@H]2CCCOC2)C1 1847036284 NFILCDWFDXHLSI-LBPRGKRZSA-N 320.345 -0.296 30 20 DBED C#CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)/C=C\C(=O)NCC=C 1847262359 RJKCIKTWCOWKLI-IBPBTGAJSA-N 301.346 -0.320 30 20 DBED CN(C)CCCN(CCC#N)C(=O)CN(C)S(C)(=O)=O 72067546 BFPFGBMIPDMELK-UHFFFAOYSA-N 304.416 -0.428 30 20 DBED C#CCSCCNC(=O)C1CCN(S(N)(=O)=O)CC1 265864177 YAFTYOHROJVHIV-UHFFFAOYSA-N 305.425 -0.616 30 20 DBED CN(C)c1ncc(C/N=C(\N)NCCCN2CCOCC2)n1C 267453742 SEUGGAWIZQLBBR-UHFFFAOYSA-N 323.445 -0.387 30 20 DBED N/C(=N\OCC(=O)N1CCOCC1)[C@H]1COc2ccccc2O1 268696236 BVDKTDQNSDGFBP-CYBMUJFWSA-N 321.333 -0.026 30 20 DBED C#CCN(C)CCCNC(=O)C1=C(C)OCCS1(=O)=O 293856432 AWPWTZDGRMEMGN-UHFFFAOYSA-N 300.380 -0.266 30 20 DBED CO[C@H]1C[C@@H](CN(C)/C(O)=N/C[C@H]2COCCO2)N(C)C1 329069536 YEJPEEABQMJMRR-AVGNSLFASA-N 301.387 -0.033 30 20 DBED C[C@H](O)CN1CCN(/C(O)=N/[C@@H]2CC[S@](=O)C2)C[C@H]1C 329794669 WDJHBUAAJWOKMG-DLUMRTOESA-N 303.428 -0.192 30 20 DBED CC(C)(O)CN1CCN(/C(O)=N/C[C@@H]2COCCO2)CC1 329954791 OQBXQNLTJPKPDS-GFCCVEGCSA-N 301.387 -0.296 30 20 DBED CN1CC[C@]2(CCN(/C(O)=N/CCN3C(=O)CN=C3O)C2)C1 330201824 YKBXXLXYKCUQMM-AWEZNQCLSA-N 309.370 -0.316 30 20 DBED CCOC(=O)CN(C(C)C)S(=O)(=O)N1CCO[C@H](C#N)C1 336913762 LFMYONYKFMPBPQ-LLVKDONJSA-N 319.383 -0.271 30 20 DBED C[C@@H](CN1CCCC1=O)NS(=O)(=O)N1CCO[C@H](C#N)C1 336926951 XOXZKIPKGPFBQG-WDEREUQCSA-N 316.383 -0.944 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC[C@H](S(N)(=O)=O)C1 337772851 OVZPNMCIZQRMPP-UWVGGRQHSA-N 324.428 -0.782 30 20 DBED C=CC[C@H](CO)CNC(=O)C(=O)Nc1ccc(CC(N)=O)cc1 341434653 PYNZUYNFPULHHA-LBPRGKRZSA-N 319.361 -0.046 30 20 DBED C[C@@H]1C[C@H](CO)CCN1S(=O)(=O)N1CCO[C@@H](C#N)C1 341958592 PMAUAOLHTHZGJD-UTUOFQBUSA-N 303.384 -0.452 30 20 DBED N#CCCCCNC(=O)C(=O)N1CCN(C[C@H]2CCOC2)CC1 343165330 YVGQVRODTNQKSJ-CQSZACIVSA-N 322.409 -0.023 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 354776731 CJTDDWJTSIGGBD-NWDGAFQWSA-N 315.395 -0.201 30 20 DBED C=C[C@@H](CO)NC(=O)[C@@H](CC)N=c1nn[nH]n1-c1ccccc1 356827637 DFIAUMFLUPSNAT-WCQYABFASA-N 316.365 -0.062 30 20 DBED CC[C@H](CC#N)NC(=O)CNS(=O)(=O)c1cn(C)c(C)n1 358076688 JJCBQYNYKGGJKJ-SNVBAGLBSA-N 313.383 -0.185 30 20 DBED CCO[C@H]1C[C@](CO)(NC(=O)NCC(=O)NCC#N)C1(C)C 358303530 XYOLYUMQAWUOSG-IINYFYTJSA-N 312.370 -0.509 30 20 DBED CC(C)NS(=O)(=O)CCNS(=O)(=O)CC1(C#N)CC1 361513318 AARBDRBHZDUTCZ-UHFFFAOYSA-N 309.413 -0.463 30 20 DBED COC(=O)C[C@@H]1CN(S(=O)(=O)CC2(C#N)CC2)CCO1 361561627 BKFWYCUFNPUNGO-SNVBAGLBSA-N 302.352 -0.116 30 20 DBED N#C[C@H]1CN(CC(=O)Nc2cccc(S(N)(=O)=O)c2)CCO1 436127712 FNTZGUVLJVNLQF-NSHDSACASA-N 324.362 -0.503 30 20 DBED N#Cc1csc(C(=O)NCC(=O)NCCN2CCOCC2)c1 438341233 JGKIKRZGTNCMKI-UHFFFAOYSA-N 322.390 -0.202 30 20 DBED C#CCN1CCN(C(=O)CN2C[C@H](C)O[C@@]3(CCOC3)C2)CC1 491504203 GRACAUWKTVLRCV-RDJZCZTQSA-N 321.421 -0.356 30 20 DBED C#CCn1ccnc1C=NNc1nc(=NCC)[nH]c(=NCC)[nH]1 491737785 LVYCXWVFBZQZQF-UHFFFAOYSA-N 313.369 -0.145 30 20 DBED CC(C)(C)OC(=O)N1CC(O)(C(=O)N2CCO[C@H](C#N)C2)C1 496070901 WNEPLAAXOUFZMS-SNVBAGLBSA-N 311.338 -0.281 30 20 DBED COC[C@@](C)(O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 569290592 CKCITNMYKGURFI-OAHLLOKOSA-N 321.381 -0.354 30 20 DBED N#Cc1cccc(NC(=O)C(=O)N2CCSC[C@@H]2CO)n1 576106261 VBLAXVOMDKVLMQ-JTQLQIEISA-N 306.347 -0.172 30 20 DBED N#CCNC(=O)CNC(=O)N[C@@H]1CCN(C2CCCCC2)C1=O 588167072 IQSSXWQQGXMYNE-GFCCVEGCSA-N 321.381 -0.141 30 20 DBED CC(=O)N1CCN(C(=O)CCNc2c(C#N)cnn2C)CC1 596120232 IZGRAYGMUJOJSC-UHFFFAOYSA-N 304.354 -0.216 30 20 DBED CC(C)C[C@@H](C#N)NC(=O)CCn1cc(S(N)(=O)=O)cn1 608825310 YUGSQAUNFYEQEW-JTQLQIEISA-N 313.383 -0.025 30 20 DBED CCN(CCC#N)S(=O)(=O)N[C@@H](C)[C@@H]1CN(C)CCO1 619712307 YOTNHNGKKRGOKX-RYUDHWBXSA-N 304.416 -0.225 30 20 DBED C=CC[C@H](CO)CNC(=O)NC1CC(NS(C)(=O)=O)C1 670177614 JNMRYYQDGPIQNM-WHXUTIOJSA-N 305.400 -0.450 30 20 DBED C=CCN(CCOC)C(=O)NC1CC(NS(C)(=O)=O)C1 670179979 VRLMEJZGDVFDEH-UHFFFAOYSA-N 305.400 -0.089 30 20 DBED CC(C)[C@](C)(C#N)NC(=O)COC(=O)C1CC(=O)NC(=O)C1 726820097 CCTPISBAAGRYEN-AWEZNQCLSA-N 309.322 -0.363 30 20 DBED C#CCNC(=O)CN1CCN(Cc2occc2C(=O)O)CC1 736076816 VHLXWTQJCXNUAU-UHFFFAOYSA-N 305.334 -0.155 30 20 DBED N#Cc1cccnc1NCCNC(=O)C(=O)N1CCOCC1 774178912 QGDFCKPJICBGCQ-UHFFFAOYSA-N 303.322 -0.660 30 20 DBED N#C[C@H]1COCCN1C(=O)c1cc(S(N)(=O)=O)ccc1F 798328951 DVMOPEPFAKSYDJ-QMMMGPOBSA-N 313.310 -0.162 30 20 DBED C#CCOc1ccc(F)cc1NC(=O)C(=O)NC1(C(N)=O)CC1 807050767 AYNGXHNRADXIKL-UHFFFAOYSA-N 319.292 -0.090 30 20 DBED C#CC[C@H](CO)NC(=O)[C@@H](C(C)C)N1CCCS1(=O)=O 816671920 LCPNNONOODZRKQ-VXGBXAGGSA-N 302.396 -0.453 30 20 DBED N#CCC[C@@H](C#N)CNCCS(=O)(=O)N1CCOCC1 818988361 IWYMTXLPDOOCAL-LBPRGKRZSA-N 300.384 -0.318 30 20 DBED C#CC[C@@H](CO)NC(=O)c1cc(S(=O)(=O)N(C)C)c(C)o1 820054618 QWRJMMMTNNWHBB-JTQLQIEISA-N 314.363 -0.048 30 20 DBED N#Cc1c[nH]nc1NS(=O)(=O)c1ccc(-c2nn[nH]n2)nc1 826387563 BVGRNKANIAHEFO-UHFFFAOYSA-N 317.294 -0.343 30 20 DBED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)[C@H]2CC(=O)N2)C1 832164065 XYQCMDGNHNXWET-IVZWLZJFSA-N 308.338 -0.250 30 20 DBED N#Cc1cccc([C@H](C(=O)O)N2CC[C@@]3(C2)NC(=O)NC3=O)c1 833074508 ZLDICYTUZNUTCC-ABAIWWIYSA-N 314.301 -0.032 30 20 DBED C#CC[C@H](CO)NC(=O)c1ccc(OCC(=O)NC)c(OC)c1 854547506 WPFCWACINNGCKP-GFCCVEGCSA-N 320.345 -0.066 30 20 DBED C#CCO[C@@H](C)C(=O)NCC(=C)CNC(=O)[C@H](C)OCC#C 856338690 HABZWJNIIQRROL-KBPBESRZSA-N 306.362 -0.148 30 20 DBED CC(C)(C)OC(=O)N[C@H](CO)C(=O)OCC(=O)NCCC#N 860084129 MOJJEPGCIFPKBI-SECBINFHSA-N 315.326 -0.555 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@H]3CC[C@@H](O)[C@H]3C2)C1=O 899393793 SXTCMICDLMVEJK-OUAUKWLOSA-N 321.333 -0.808 30 20 DBED CN(CCO)CCNCCS(=O)(=O)c1ccc(C#N)cc1 905489999 OHFNKBMXWDIBPG-UHFFFAOYSA-N 311.407 -0.154 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCN(C(=O)c3nc[nH]n3)C2)nn1 937971593 YXCQEEYLPPEHIH-VIFPVBQESA-N 316.325 -0.773 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2CCCCN(C(=O)CC(N)=O)C2)[nH]1 943193950 HCSSROXQDOMQEL-NSHDSACASA-N 317.349 -0.127 30 20 DBED Cc1nc[nH]c1C(=O)NC[C@@H]1CN(C(=O)[C@@H](C)C#N)CCO1 944666376 TXDFJMGBMVLURL-GXSJLCMTSA-N 305.338 -0.165 30 20 DBED N#Cc1ccc(C(=O)NC[C@H]2CCC[C@@H]2NC(=O)C(N)=O)[nH]1 946291987 LFBHDOPWKMSKNQ-SCZZXKLOSA-N 303.322 -0.614 30 20 DBED C=CCN1CC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C[C@@H]1C 947324453 SMSFYLGWEFXCDM-WDEREUQCSA-N 306.370 -0.468 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCN(CC(N)=O)[C@@H](C)C2)nn1 947792784 SDBBRAXEZOHCBO-WDEREUQCSA-N 306.370 -0.468 30 20 DBED Cn1cc(C(=O)N2CC[C@H]2CNC(=O)c2c[nH]c(C#N)c2)nn1 949490625 FBTPVZIDZNUELY-NSHDSACASA-N 313.321 -0.341 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@](C)(NC(=O)[C@@H]2CNC(=O)N2)C1 957454818 HSMFURGOVYZEES-BONVTDFDSA-N 308.382 -0.013 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2ccc(C(=O)NC)nc2)C1 958597485 DTHLETICXVLWKS-GXTWGEPZSA-N 316.361 -0.903 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2CN(CCCO)C[C@H]2O)nc1 958602288 DULYMFQIDRKSTO-DZGCQCFKSA-N 303.362 -0.532 30 20 DBED C=CCN1C[C@H](O)[C@H](CNC(=O)c2ccc(C(N)=O)cc2)C1 958661180 FEZAJWIFDDJCGZ-KGLIPLIRSA-N 303.362 -0.006 30 20 DBED CCCn1nc(C(=O)NC[C@H]2CN(CC#N)C[C@@H]2O)ccc1=O 958662412 SLLPKYCQPHBBEV-AAEUAGOBSA-N 319.365 -0.801 30 20 DBED C#CCN1CCN(S(=O)(=O)C2CN(C(=O)CCC)C2)CC1 961075146 OOXNEFYTNLBDQA-UHFFFAOYSA-N 313.423 -0.422 30 20 DBED CC#CCN1C[C@H]2[C@H](NC(=O)[C@@H]3CCc4nnnn4CC3)[C@H]2C1 961846573 MPLCQZCPMDDWBV-CXTNEJHOSA-N 314.393 -0.305 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2[C@@H]3CN([C@@H](CC)C(N)=O)C[C@@H]32)cn1 962327690 VJZOWQSSDPKLKJ-LJISPDSOSA-N 312.373 -0.013 30 20 DBED Cc1nn(C)cc1C(=O)NC[C@@H]1COCCN1C(=O)[C@H](C)C#N 964135536 OPIBDAODFSLURE-ZYHUDNBSSA-N 319.365 -0.155 30 20 DBED C#CCNC1CC2(C1)CC(NC(=O)[C@H]1CCS(=O)(=O)N1)C2 965925029 GEZUZIXYDIHTNW-QBQCOZBMSA-N 311.407 -0.672 30 20 DBED C#CCCN1CC[C@@H](C)[C@H](NC(=O)CN2CC(=O)N(C)C2=O)C1 968537703 DREXTALOJBOSOX-CHWSQXEVSA-N 320.393 -0.270 30 20 DBED C[C@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)c1cn(C)nn1)C2 969806885 WJBVUDNANNGRJD-VWYCJHECSA-N 302.338 -0.210 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)c3cnon3)C[C@@H]2O)C1 970394906 JHFIPWCGKRQJFG-MNOVXSKESA-N 306.322 -0.273 30 20 DBED C=C(C)CN(C)[C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 971563977 RDVRERJUWDQESA-LLVKDONJSA-N 306.370 -0.514 30 20 DBED C=C(C)CN1C[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C(C)(C)C1 975097457 BZCBKDHRDYLUPZ-QWRGUYRKSA-N 308.382 -0.013 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)C3)[C@H]2C1 977204161 IIJZXBNEABEYSH-QKFSQAGISA-N 318.377 -0.379 30 20 DBED C[C@@H](NCc1nnnn1C)[C@H]1CN(C(=O)C#CC2CC2)CCO1 979332836 LXISLPVLTZYPTK-DGCLKSJQSA-N 318.381 -0.671 30 20 DBED C#Cc1ccc(C(=O)NC2CCC(NC(=O)C(N)=O)CC2)cn1 980417130 WLZYOJJRJYLZAO-UHFFFAOYSA-N 314.345 -0.295 30 20 DBED CN(CC#N)C1CCN(C(=O)CN2C(=O)NC(C)(C)C2=O)CC1 985779284 XAMZNMYUJLUYCF-UHFFFAOYSA-N 321.381 -0.237 30 20 DBED C[C@@H](C(=O)N1CC(NC(=O)c2ccc(C#N)[nH]2)C1)S(C)(=O)=O 990868552 LYEXAACHKMHGBE-QMMMGPOBSA-N 324.362 -0.740 30 20 DBED N#Cc1cc(C(=O)N[C@H]2CCN(C(=O)C3CC3)C[C@@H]2O)c[nH]1 991401882 RNXCYZNNIAVWLP-STQMWFEESA-N 302.334 -0.012 30 20 DBED C#CCN1CC[C@]2(NC(=O)CN3CCN(C)C(=O)C3)CCC[C@H]12 991469930 GUCSPKCAFYOUNU-WMLDXEAASA-N 318.421 -0.493 30 20 DBED CC#CCN1CCC[C@@H](NC(=O)CN2CCN(C)C(=O)C2)[C@@H]1C 993517922 GVCQTSKOGPSPNS-LSDHHAIUSA-N 320.437 -0.247 30 20 DBED CCC(=O)N1CCN(C(=O)C#CC2CC2)[C@@H]2CS(=O)(=O)C[C@@H]21 995446593 UKHBIMZVKYKIAL-QWHCGFSZSA-N 324.402 -0.354 30 20 DBED N#CCN1CC[C@@H](n2cc(CNC(=O)C3=COCCO3)nn2)C1 999938979 OUSGDKDFBDWYTQ-GFCCVEGCSA-N 318.337 -0.447 30 20 DBED Cn1cnc(C(=O)NCc2cn([C@@H]3CCN(CC#N)C3)nn2)c1 999977448 CEVPFNHJCOVCAL-GFCCVEGCSA-N 314.353 -0.288 30 20 DBED C=CCN1CC[C@H](N[C@H]2CCCN(C(=O)c3nc[nH]n3)C2)C1=O 1000494332 KVZJDQBDLBCUBK-RYUDHWBXSA-N 318.381 -0.214 30 20 DBED C[C@H](C#N)C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1CCOCC1 1002106100 PQPUHRFBPAADBV-SYQHCUMBSA-N 320.393 -0.274 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](NC(=O)c2c[nH]c(=O)cn2)C(C)(C)C1 1008512505 BEDLEWDRZNYMGD-MWLCHTKSSA-N 317.349 -0.104 30 20 DBED O=C(C#CC1CC1)N1CCN(C(=O)c2c[nH]c(=O)cn2)CC1 1011109649 SLYOFODOJGRYGJ-UHFFFAOYSA-N 300.318 -0.532 30 20 DBED C=CC(C)(C)C(=O)N1CCN(C(=O)CN2CCOCC2=O)CC1 1011283866 FCNWLKODPDUQCS-UHFFFAOYSA-N 323.393 -0.272 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C(=O)CN2CCCNC2=O)CC1 1011458626 LAIMFXYVXHUMQU-NSHDSACASA-N 307.354 -0.768 30 20 DBED C=CCOc1cccnc1C(=O)N1CCN(C(=O)C(N)=O)CC1 1012314853 YPQRDDXSDGYPDR-UHFFFAOYSA-N 318.333 -0.584 30 20 DBED Cc1nonc1C(=O)NC1[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]12 1013340279 RHEDHZCNHYNXMS-GHMZBOCLSA-N 300.318 -0.022 30 20 DBED C=C(Br)CN1CC[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 1015634080 KRQIDOKCZPYBRJ-DTWKUNHWSA-N 317.187 -0.233 30 20 DBED C=CCCN1CC[C@@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)C1 1015785684 AWZLOJCPAGINHX-SNVBAGLBSA-N 308.338 -0.826 30 20 DBED C=CCCn1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)C(C)C)C2)nn1 1023085125 NHMQBSVHNTZHJM-DGCLKSJQSA-N 321.381 -0.188 30 20 DBED CCn1cnc(C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2O)c1 1024799096 XRGBEDXCZHGODZ-TZMCWYRMSA-N 316.361 -0.382 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[C@@H]2C)C1 1025120561 QEJKWFXDDYUUAT-SBJFKYEJSA-N 319.405 -0.572 30 20 DBED C[C@@H]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2O)O1 1025757232 QQOMQKQJDOTCLO-FMKGYKFTSA-N 306.362 -0.345 30 20 DBED C#CCCN1CC(NC(=O)Cn2nnc(-c3ccco3)n2)C1 1030594803 QIYWPAMUELUBEM-UHFFFAOYSA-N 300.322 -0.243 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCC1CN(Cc2nnn(C)n2)C1 1031986734 BGTFKMVKUMJUMA-NEPJUHHUSA-N 306.370 -0.651 30 20 DBED CN(C(=O)c1c[nH]c(C#N)c1)[C@H]1CCN([C@@H]2CCNC2=O)C1 1033022083 FXFZTTMHXLPNGP-QWHCGFSZSA-N 301.350 -0.079 30 20 DBED C#CCCN1CCCC[C@@H](NC(=O)Cn2c(O)nnc2O)C1 1034510343 IDQKUNWESCSNAT-LLVKDONJSA-N 307.354 -0.317 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)CCn3ncn(C)c3=O)CC[C@H]21 1036778578 VIOIPTZUTDHWLJ-ZIAGYGMSSA-N 317.393 -0.472 30 20 DBED COCCCC(=O)N1CC[C@](O)(CNC(=O)C#CC2CC2)C1 1039677454 ITVVZBVUSOQQMJ-INIZCTEOSA-N 308.378 -0.094 30 20 DBED COc1nc(C(=O)N2CC[C@](O)(CNC(=O)[C@H](C)C#N)C2)co1 1040765737 KPVSIENLKBFGBH-OTYXRUKQSA-N 322.321 -0.464 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)C3=COCCO3)C2)nc1 1040912763 WJCXENYVWSFYHN-VXGBXAGGSA-N 316.317 -0.493 30 20 DBED C[C@@H]1CC[C@H](C(=O)N[C@@H]2CN(c3ccnc(C#N)n3)C[C@H]2O)O1 1041359202 GOCHSRJIMJQGPS-DDHJBXDOSA-N 317.349 -0.419 30 20 DBED CC#CCN1CC[C@@H]2CCN(C(=O)C3CC(=O)NC(=O)C3)C[C@H]21 1042267368 XCCDKQARNPSYKI-TZMCWYRMSA-N 317.389 -0.015 30 20 DBED Cn1nccc1CC(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1042813952 FYXPIJCKLFZEOV-UHFFFAOYSA-N 316.361 -0.935 30 20 DBED CO[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1NC(=O)c1cnco1 1042938768 VCUGMAVGKHIKJH-MWLCHTKSSA-N 314.305 -0.030 30 20 DBED CCCNC(=O)CCC(=O)NCC1(O)CN(C(=O)[C@@H](C)C#N)C1 1044051128 GFTDMIZHVLGPGF-NSHDSACASA-N 324.381 -0.858 30 20 DBED C=CCN1CC[C@H](N2CC(N(C)C(=O)Cc3nc[nH]n3)C2)C1=O 1044163061 KZRKOKXPFWJNBR-LBPRGKRZSA-N 318.381 -0.723 30 20 DBED C[C@H]1C[C@H](NCC#N)CCN1C(=O)CCc1nnc(O)nc1O 1044655446 CEMHCHPNRORFQD-VHSXEESVSA-N 320.353 -0.292 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)[C@@H](C)OCC2CC2)C1 1045540371 GSXUXTXIASLBMZ-WDEREUQCSA-N 309.366 -0.349 30 20 DBED Cc1ccnc(C(=O)N2CC(O)(CNC(=O)[C@H](C)C#N)C2)n1 1045540679 KTVJSEIBJLQJIG-SECBINFHSA-N 303.322 -0.752 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)c2csc(O)n2)C1 1045564734 MCSVXBIQNXDIQO-SSDOTTSWSA-N 310.335 -0.689 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@@H](N(C)C(=O)c2nnn(C)n2)C1 1047490342 RBTCRKSVVCABKZ-IUCAKERBSA-N 300.750 -0.920 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(O)nn2)C1 1048158717 NIQHACAMFVCODI-RYUDHWBXSA-N 320.349 -0.208 30 20 DBED C#Cc1ccc(C(=O)N2C[C@@H]3CN([C@H](C)C(N)=O)C[C@@H]3C2)cn1 1049177442 BKUHCTFDJZUDGF-BNOWGMLFSA-N 312.373 -0.060 30 20 DBED C#CCN1C[C@@H]2CCCN(C(=O)[C@@H]3CCS(=O)(=O)C3)[C@@H]2C1 1050088936 UGAIAKJTRKPZHI-BFHYXJOUSA-N 310.419 -0.023 30 20 DBED CC(C)C#CC(=O)N1CC[C@H]([C@H](C)NC(=O)c2nnn(C)n2)C1 1050648060 ICLKTPVNVIKZED-RYUDHWBXSA-N 318.381 -0.164 30 20 DBED C[C@@H]1[C@@H](NC(=O)c2nnn(C)n2)CCN1c1ncccc1C#N 1050896786 MZJUPLFCSOWPAI-KOLCDFICSA-N 312.337 -0.126 30 20 DBED C#CCN1CCN([C@@H]2CCN(C(=O)c3cn(C)nn3)C2)CC1 1052025925 LHPUPHUZADPDTE-CYBMUJFWSA-N 302.382 -0.720 30 20 DBED C=CCOCC(=O)N1C[C@H](CNC(=O)Cn2ncnn2)[C@@H](C)C1 1052221841 UKIACVNFYTWFQI-RYUDHWBXSA-N 322.369 -0.914 30 20 DBED C#CCN1CCC[C@@H](NC(=O)CN2CCCS2(=O)=O)CC1 1052430192 POQMJWSDEOBXGJ-CYBMUJFWSA-N 313.423 -0.374 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)[C@@H]3CCN(C)C(=O)C3)CO2)C1 1053849355 IJZNXJRFOHOEDC-ZIAGYGMSSA-N 319.405 -0.162 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)c3ccc(=O)n(C)c3)CO2)C1 1053856989 SHKPNKMNMQNGCZ-ZDUSSCGKSA-N 301.346 -0.408 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)[C@@H]3CCCc4nn[nH]c43)CO2)C1 1053908287 OTFVHDAMPPVQKX-WDEREUQCSA-N 316.365 -0.292 30 20 DBED C#CCN[C@H]1CN(C(=O)CN2CCCCS2(=O)=O)C[C@@H]1C 1054912521 VDCHCPJZNQLLPT-STQMWFEESA-N 313.423 -0.518 30 20 DBED CC(=O)N(C)CC(=O)N1C[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2C1 1055182630 AYMFSEBSRHGQKI-RTXFEEFZSA-N 306.366 -0.459 30 20 DBED Cc1nc(CC(=O)NC2[C@H]3CN(c4cncc(C#N)n4)C[C@H]23)n[nH]1 1056204718 TVAQFUXRPLJHIK-QWRGUYRKSA-N 324.348 -0.432 30 20 DBED N#Cc1cnccc1N1C[C@H]2C(NC(=O)[C@H]3C[C@H]3C(N)=O)[C@@H]2C1 1056406966 IMEFXKNJCYPGEC-WRWGMCAJSA-N 311.345 -0.375 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H]2[C@H]1CCN2C(=O)CCNC(N)=O 1056537332 JHIPDPZVQYLNAR-GRYCIOLGSA-N 321.381 -0.204 30 20 DBED CN(c1ccnc(C#N)n1)[C@@H]1CCN(C(=O)c2cnnn2C)C1 1056908504 OXCHCNAUPVPSOZ-SNVBAGLBSA-N 312.337 -0.172 30 20 DBED CN(c1ccncc1C#N)[C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 1057012544 JRRWXFNJNKDQAZ-RYUDHWBXSA-N 314.349 -0.328 30 20 DBED N#Cc1cncc(N2CCCN(C(=O)[C@@H]3CCC(=O)N3)CC2)n1 1057161978 PXLGRSFUDNDMLV-LBPRGKRZSA-N 314.349 -0.334 30 20 DBED CN1CC[C@@H](CC(=O)NCCN(CCO)C(=O)C#CC2CC2)C1 1057533028 GVKQKPBODZNCFJ-HNNXBMFYSA-N 321.421 -0.321 30 20 DBED Cn1oc(C(=O)N[C@@H]2CCN(c3ccc(C#N)nn3)C2)cc1=O 1058336025 KYOLMFFGOQOVOQ-SNVBAGLBSA-N 314.305 -0.351 30 20 DBED C=C(C)CCC(=O)NCCN(CCO)C(=O)CCn1cnnn1 1058540694 PFRUAVIMFMJAHO-UHFFFAOYSA-N 324.385 -0.643 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(CCO)CCNC(=O)COCC 1058872788 DTVHSWIOXHUHQT-OLZOCXBDSA-N 314.382 -0.449 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](CCNC(=O)C2(C(N)=O)CC2)C1 1060285638 BMXMRUGKYQNTEG-WDEREUQCSA-N 306.366 -0.234 30 20 DBED C=CCCOCC(=O)N1CCOC[C@@H]1CNC(=O)c1cc[nH]n1 1061330238 APGQFAMEQICDHR-LBPRGKRZSA-N 322.365 -0.040 30 20 DBED CO[C@@H](C)C(=O)NC[C@@H]1COCCN1C(=O)c1c[nH]c(C#N)c1 1061365518 BSFOWQJQXGFLIE-GXFFZTMASA-N 320.349 -0.122 30 20 DBED CCC(=O)NCC(=O)NC[C@H]1COCCN1C(=O)C#CC1CC1 1061428488 KCLPXXZTRXXUHB-ZDUSSCGKSA-N 321.377 -0.730 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H]1COCCN1C(=O)COCC=C 1061585134 ROPZCMDITSJGDP-UONOGXRCSA-N 324.377 -0.429 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(NC(=O)c2nnn(C)n2)CCC1 1063046205 JMTAIZIZRFXWOX-JTQLQIEISA-N 320.353 -0.983 30 20 DBED N#Cc1cnc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)Cn2cncn2)cn1 1064256819 HPBYNXPHBOMPTP-PUYPPJJSSA-N 310.321 -0.667 30 20 DBED CO[C@@H](C)C(=O)NC[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCO1 1065020809 KTYCBFUMHCKEAO-JQWIXIFHSA-N 320.349 -0.122 30 20 DBED C#CCOCCC(=O)N1CCO[C@H](CNC(=O)c2cn[nH]c2)C1 1065149663 CXUDFSFQJGLCAN-CYBMUJFWSA-N 320.349 -0.593 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCO[C@@H](CNC(=O)c2cnon2)C1 1065154667 MNIHNCBFSHPMJH-QWRGUYRKSA-N 322.321 -0.935 30 20 DBED C[C@]1(NC(=O)[C@H]2COC(=O)N2)CCN(c2cncc(C#N)n2)C1 1065250617 HFAANONPIXGJGA-YGRLFVJLSA-N 316.321 -0.458 30 20 DBED C=CCO[C@@H](C)C(=O)NC[C@@H]1CN(C(=O)c2cnon2)CCO1 1065509970 JRZVGMCPPBCBHK-WDEREUQCSA-N 324.337 -0.382 30 20 DBED CSCC(=O)N1CCO[C@@H](CN=c2cc[nH]c(C#N)n2)C1 1066579001 RUEZAQIOKMDJRK-JTQLQIEISA-N 307.379 -0.228 30 20 DBED C[C@H]1CN(C(=O)Cn2nccn2)C[C@@H]1N=c1cc[nH]c(C#N)n1 1067154141 ZCXXTGTUCICGBI-QWRGUYRKSA-N 312.337 -0.679 30 20 DBED Cc1cc(C#N)nc(N(C)C[C@@H]2CCCN2C(=O)C(N)=O)n1 1067793123 FPBOINXCJWJKNO-NSHDSACASA-N 302.338 -0.431 30 20 DBED CN(c1nccnc1C#N)C1CCN(C(=O)CC(N)=O)CC1 1068658638 HVQRKMFWMDXBAB-UHFFFAOYSA-N 302.338 -0.349 30 20 DBED CC(=O)N(C)CC(=O)N[C@@H]1COC2(C1)CN(C(=O)[C@H](C)C#N)C2 1068710271 AUFSCBWIRMGRCZ-PWSUYJOCSA-N 322.365 -0.890 30 20 DBED CC(=O)N(C)CC(=O)NC1(CNC(=O)[C@H](C)C#N)CCOCC1 1070000439 VZKKCCAJNSWVNK-LLVKDONJSA-N 324.381 -0.594 30 20 DBED N#CCN1C[C@H]2C[C@@H]3CN(C(=O)Cc4ncc[nH]4)C[C@@]3(C1)O2 1070874228 HRQJYRYOUJRKCI-LALPHHSUSA-N 301.350 -0.223 30 20 DBED C=CCCC(=O)N1C[C@H](C)[C@H](NC(=O)CN2C(=O)CNC2=O)C1 1071785998 XTNBHJILHHPEJV-WDEREUQCSA-N 322.365 -0.533 30 20 DBED C#CCN1C[C@H](NC(=O)Cn2nc(C)n(C)c2=O)CC[C@H]1C 1072034308 WBHIUFYIZHCMKZ-DGCLKSJQSA-N 305.382 -0.507 30 20 DBED CC#CCN1C[C@H](NC(=O)CN2C(=O)CN(C)C2=O)CC[C@H]1C 1072055371 TXZOSUKBJVHUEV-CHWSQXEVSA-N 320.393 -0.127 30 20 DBED C#CCCN1CCC2(C1)CN(C(=O)C[C@H]1CC(=O)NC1=O)C2 1073492158 XGRVCGWURGIBBZ-GFCCVEGCSA-N 303.362 -0.403 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CCN(C(=O)C2=CCOCC2)CC1 1074558265 AUQDZSGPGSXSPU-GFCCVEGCSA-N 321.377 -0.038 30 20 DBED C[C@@H](CCNC(=O)C#CC1CC1)NC(=O)Cn1cnnc1O 1076423700 VARXFZZGBZMYDK-JTQLQIEISA-N 305.338 -0.592 30 20 DBED C[C@@H](CCNC(=O)[C@H]1CC(=O)N(C)C1)NC(=O)C#CC1CC1 1076892232 OQGCXICEUVKQQO-AAEUAGOBSA-N 305.378 -0.111 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)C1 1077046532 WDXJAPMPRDLWOQ-RRFJBIMHSA-N 321.421 -0.018 30 20 DBED C=CCn1cccc1C(=O)N[C@@H]1CN([C@H](CC)C(N)=O)C[C@H]1O 1077139112 XXQOUSQEJLENNK-YRGRVCCFSA-N 320.393 -0.287 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(Cc2nncn2C)C[C@H]1O 1077694019 ASSNZMISCADGDY-LPWJVIDDSA-N 321.381 -0.933 30 20 DBED CCN(C(=O)CNC(C)=O)C1CN(C(=O)c2cc(C#N)c[nH]2)C1 1079226481 CGGFXBMLAVDMDZ-UHFFFAOYSA-N 317.349 -0.305 30 20 DBED C[C@H](C#N)C(=O)NC1(CO)CCN(C(=O)c2ncc[nH]2)CC1 1080980174 MERBNMINKNRLOX-SNVBAGLBSA-N 305.338 -0.347 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@H](CNC(=O)C(C)(C)F)C1 1081170368 YASTUTBXQMOBTR-MNOVXSKESA-N 302.346 -0.127 30 20 DBED Cc1c[nH]c(C(=O)N2C[C@H](CNC(=O)C#CC(C)C)[C@@H](O)C2)n1 1081464205 WYQBBVCZJOVVDZ-STQMWFEESA-N 318.377 -0.073 30 20 DBED C=C(C)CCC(=O)NC[C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1O 1081533405 KJXKVRUEULEWJF-CHWSQXEVSA-N 321.381 -0.430 30 20 DBED CNC(=O)[C@@H](C)N1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@H](OC)C1 1081540682 MJAOCYMKTHZQLB-OASPWFOLSA-N 319.365 -0.550 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@H]1CCCCN1C(N)=O 1082319998 SEIHREPWRAWFDN-IJLUTSLNSA-N 309.370 -0.741 30 20 DBED C#CCCN1C[C@@H](NC(=O)[C@@H]2CN(CC)CCO2)[C@H](OC)C1 1082379096 JCHSXXTUNOPRMR-KFWWJZLASA-N 309.410 -0.454 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CCc2cncn2C1 1083125162 HQXRYBHUSKHNFS-VNQPRFMTSA-N 314.389 -0.010 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cnn(CCF)c1 1083126918 PZASKARSBMNAFT-QWHCGFSZSA-N 307.329 -0.099 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2CN(C)CCO2)C1 1083384997 AYRIJOXUWGQRDZ-WOPDTQHZSA-N 303.790 -0.769 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CN(Cc3cnns3)C[C@@H]2O)c1 1083392803 ZVWISADWJXAKPE-NEPJUHHUSA-N 318.362 -0.287 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCCn3nccc32)C1 1083581354 SODAFRLJEYVRQC-NFAWXSAZSA-N 302.378 -0.055 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CN(C(C)C)CCO2)C1 1083723301 DMEBWYKQJKEIRW-ILXRZTDVSA-N 311.426 -0.167 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2ccc(CNC(C)=O)o2)C1 1083868370 FAGHXLLIDVEHQO-OLZOCXBDSA-N 305.334 -0.676 30 20 DBED C#CCCN1CC[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)[C@@H]2C1 1084659523 MCPMFODORGSXRL-YIYPIFLZSA-N 305.378 -0.425 30 20 DBED CN1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NCC#N)S1(=O)=O 1085359786 ALYXOYNLIZZJFY-UTUOFQBUSA-N 314.411 -0.439 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2CC[C@@H](NCC(N)=O)C2)nn1 1086823723 RZFPYGRXTSUAFG-WDEREUQCSA-N 306.370 -0.563 30 20 DBED Cc1nonc1C(=O)N1C[C@@H](NCC#N)[C@H](c2cnn(C)c2)C1 1087012472 ZHONQSIXLGWVBL-NWDGAFQWSA-N 315.337 -0.167 30 20 DBED C[C@@H]1[C@@H](NC(=O)c2ccc(-n3cnnn3)cn2)CCN1CC#N 1088770047 UTZGEBSHVUBTKJ-PWSUYJOCSA-N 312.337 -0.227 30 20 DBED C#CCN1CC[C@H](NC(=O)Cn2nc3n(c2=O)CCCC3)[C@H]1C 1088964125 MRQIFKKXANCTCL-OLZOCXBDSA-N 317.393 -0.407 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@H]2CCNC2=O)CC2(CCOCC2)C1 1089947278 BDLHCFZKYWSWSG-KBPBESRZSA-N 319.405 -0.257 30 20 DBED COc1cc(OC)nc(C(=O)N[C@H]2CCN(CC#N)C[C@@H]2O)n1 1090362840 FDWFJXLYZOGKHN-UWVGGRQHSA-N 321.337 -0.818 30 20 DBED Cc1nc2c(C(=O)N[C@@H]3CCN(CC#N)C[C@H]3O)ccnc2[nH]1 1090447272 YFEFUHJIMPXZDW-VXGBXAGGSA-N 314.349 -0.045 30 20 DBED C=CCN1CC[C@@H](NC(=O)Cn2ccc(C)cc2=O)[C@@H](O)C1 1090609039 JDYPTGXGXSBMOP-KGLIPLIRSA-N 305.378 -0.106 30 20 DBED C#CCOc1ccc(C(=O)N[C@H]2CCN(CCO)C[C@@H]2O)cc1 1090624140 MPXDXPILFUBSHR-HOTGVXAUSA-N 318.373 -0.144 30 20 DBED C#CCN1CC[C@H](NC(=O)c2ccc(CNC(C)=O)o2)[C@H](O)C1 1090646928 MJRIVTBIHRYJSC-UONOGXRCSA-N 319.361 -0.286 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2ccc(=O)n(CC)n2)[C@H](O)C1 1090655068 OSFXNHJGGYBXLU-GXTWGEPZSA-N 318.377 -0.549 30 20 DBED CN(CCOCCN(C)c1ccc(C#N)nc1)C(=O)C(N)=O 1091901112 MBRDEMAXCVYKCS-UHFFFAOYSA-N 305.338 -0.650 30 20 DBED CCOCCC(=O)N[C@H]1CCN(c2cncc(C#N)n2)C[C@H]1O 1092154158 RXSQKORWDIDKJV-QWHCGFSZSA-N 319.365 -0.169 30 20 DBED COC(=O)NCC(=O)N1CCN(c2ccnc(C#N)n2)CC1 1093134872 LXDVOBWLMNZKKK-UHFFFAOYSA-N 304.310 -0.647 30 20 DBED CCNC(=O)CC(=O)N1CCN(c2cncc(C#N)n2)CC1 1093149014 SEGOJKXYJDQJPC-UHFFFAOYSA-N 302.338 -0.477 30 20 DBED C#CCCN1C[C@@H](C)[C@H](CNC(=O)[C@@H]2CN(C(C)=O)CCO2)C1 1093170600 XRUCZMWOTHGFOW-BMFZPTHFSA-N 321.421 -0.059 30 20 DBED N#Cc1nc(=NCCNC(=O)c2nnc3ccccc3n2)cc[nH]1 1093996214 MPKUAFSTEZOINU-UHFFFAOYSA-N 320.316 -0.050 30 20 DBED N#Cc1ccc(NCCCNC(=O)[C@H]2CCS(=O)(=O)N2)cn1 1094437539 PSEAAOUYYOBITP-GFCCVEGCSA-N 323.378 -0.437 30 20 DBED C=C(Cl)CN1CC(N2C[C@@H](NC(=O)c3cnn[nH]3)CC2=O)C1 1094753570 OADPUKHWEIKZIY-VIFPVBQESA-N 324.772 -0.428 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)[C@]3(F)CCOC3)CC2=O)C1 1094778009 ISYOKPQXFBIZQB-NHYWBVRUSA-N 311.357 -0.298 30 20 DBED CC(=O)N[C@@H](C)C(=O)N1CC[C@@H](N=c2cc[nH]cc2C#N)C1 1095009468 BHYGIYXSKNHJEL-GXFFZTMASA-N 301.350 -0.087 30 20 DBED CN(C)C(=O)CC(=O)N1CC[C@@H](Nc2ccc(C#N)nn2)C1 1095083341 AUELMBPPHDVKGH-LLVKDONJSA-N 302.338 -0.161 30 20 DBED CCC(=O)NCC(=O)N1CCC[C@@H](N=c2cc[nH]c(C#N)n2)C1 1095286688 DPMYWSDXFAFFSO-LLVKDONJSA-N 316.365 -0.301 30 20 DBED CCC(=O)N(C)CC(=O)N1CCN(c2cncc(C#N)n2)CC1 1096909226 PRXQCXYJNRDXBU-UHFFFAOYSA-N 316.365 -0.135 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1C[C@@H](Nc2cncc(C#N)n2)C1 1097176810 XEYBILBMDHCONT-PHIMTYICSA-N 312.333 -0.453 30 20 DBED C[C@H](CNC(=O)CN1C(=O)CCC1=O)Nc1ccc(C#N)nn1 1097848835 YUFHIOLZOTXLRD-SECBINFHSA-N 316.321 -0.586 30 20 DBED C[C@H](CNC(=O)C1CS(=O)(=O)C1)Nc1cnc(C#N)cn1 1098070672 BUGXQFCMQYYSAL-MRVPVSSYSA-N 309.351 -0.691 30 20 DBED C#CCN(CCO)C1CCN(C(=O)[C@@H](C)[C@H]2CCC(=O)N2)CC1 1098485135 NWWNIDKNAJWSHK-DZGCQCFKSA-N 321.421 -0.180 30 20 DBED COCC#CCN(CCO)C1CCN(C(=O)[C@@H]2CCOC2)CC1 1098522685 NUAOCANPQKDFKO-OAHLLOKOSA-N 324.421 -0.042 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)CSCC#N)[C@H](O)C1 1099692547 CTLQSFNYUPKYCH-CHWSQXEVSA-N 313.423 -0.003 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)CCC(=C)C)[C@H](O)C1 1099855222 DXKKXBKZRPGLDX-UONOGXRCSA-N 307.394 -0.357 30 20 DBED C=CC(C)(C)C(=O)N[C@H]1CCN(CC(=O)N2CCC2)C[C@@H]1O 1099944030 IPTBONQLNYKOMD-STQMWFEESA-N 309.410 -0.018 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)c2oncc2C)[C@H](O)C1 1100062116 OBJDMJSUGVVULS-VXGBXAGGSA-N 322.365 -0.550 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)c2[nH]cnc2C)[C@@H](O)C1 1100145405 KRABKDKXHYLIDX-RYUDHWBXSA-N 321.381 -0.815 30 20 DBED CN(CCNC(=O)CN1CCCNC1=O)c1nccnc1C#N 1100408384 HJOQGXUAHTUZHC-UHFFFAOYSA-N 317.353 -0.684 30 20 DBED COCC#CCNC1CC(CNC(=O)[C@H]2CCCNC2=O)C1 1100423503 LGIQBHRVTILXJX-RUXDESIVSA-N 307.394 -0.353 30 20 DBED CCN(CCNC(=O)[C@H]1COCCO1)c1ccc(C#N)nn1 1100479581 DPRMEMXWTRDPBL-GFCCVEGCSA-N 305.338 -0.294 30 20 DBED CC(C)(C(N)=O)C(=O)NC[C@H]1CCCN1c1cncc(C#N)n1 1100876908 NRBAUTZGOZFJAX-LLVKDONJSA-N 316.365 -0.055 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)CNC(C)=O)c3nccn32)C1 1101604835 ZQVRRSQLGUEYAK-CYBMUJFWSA-N 315.377 -0.386 30 20 DBED C[C@@H]1CCN(C(=O)C(=O)N(C)CCN=c2cc[nH]c(C#N)n2)C1 1101767461 ZHOUSDFEKFRNTL-LLVKDONJSA-N 316.365 -0.491 30 20 DBED C=CCN1C[C@@H](C)[C@H](CNC(=O)CN(C)S(C)(=O)=O)C1 1102017544 FWZLZVNJCAGAQS-VXGBXAGGSA-N 303.428 -0.252 30 20 DBED CNC(=O)CC(=O)N1C[C@@H]2CC[C@H](C1)N2c1cnc(C#N)cn1 1102192378 MUEFCTFJKPCLAW-TXEJJXNPSA-N 314.349 -0.336 30 20 DBED CN(C(=O)CCNC(N)=O)[C@H]1CCN(c2cnc(C#N)cn2)C1 1102710260 YYGJEWNQMCEQSH-NSHDSACASA-N 317.353 -0.556 30 20 DBED CC[C@@H](CNC(=O)[C@H]1CN(C)CCO1)Nc1cncc(C#N)n1 1103032464 JVBDPMKJTRSCTP-WCQYABFASA-N 318.381 -0.014 30 20 DBED CNC(=O)CC(=O)NC[C@H](C)CNc1nc(C)cc(C#N)n1 1103925966 LPGBIAGMARCYNM-VIFPVBQESA-N 304.354 -0.043 30 20 DBED Cc1nc(CC(=O)N(C)[C@H](C)CN=c2cc[nH]c(C#N)n2)n[nH]1 1104556506 MJQXBAPYQBDDFK-SECBINFHSA-N 314.353 -0.302 30 20 DBED C#CCNCc1cn(C2CN(C(=O)[C@H]3C[C@@H]3C(=O)OC)C2)nn1 1105187579 AVLJGTFDEAJDNA-STQMWFEESA-N 317.349 -0.807 30 20 DBED Cc1c(C(=O)NC[C@@H](O)CNc2cncc(C#N)n2)cnn1C 1105749543 AUALOKQRULBWGR-NSHDSACASA-N 315.337 -0.407 30 20 DBED CCN(C)C(C)(C)C(=O)NC[C@H](O)CNc1nccnc1C#N 1106010807 GDDBRGOTTYSWTO-LLVKDONJSA-N 320.397 -0.032 30 20 DBED C[C@@H]1CCCN1CC(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1 1106109159 VHAZHUNNJJWMPT-NEPJUHHUSA-N 318.381 -0.857 30 20 DBED C[C@H](CCNc1nccnc1C#N)NC(=O)[C@H]1CN(C)CCO1 1106294130 OYVURBONKNSGEN-DGCLKSJQSA-N 318.381 -0.014 30 20 DBED C[C@@H](CCN=c1cc[nH]cc1C#N)NC(=O)[C@H]1CCNC1=O 1106516489 UYWGBANYYFLAOR-JQWIXIFHSA-N 301.350 -0.182 30 20 DBED Cc1nonc1CC(=O)NC/C=C\CN=c1cc[nH]c(C#N)n1 1107314715 MZYIHAYXDHRVMZ-IHWYPQMZSA-N 313.321 -0.211 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)CNc1cncc(C#N)n1 1107724762 MXIXNEXCOKHUET-SNVBAGLBSA-N 300.322 -0.596 30 20 DBED COc1nn(C)cc1C(=O)N[C@H](C)CN=c1cc[nH]c(C#N)n1 1108043597 CHLXGNQOMQECFW-SECBINFHSA-N 315.337 -0.257 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)C(C)(C)CNC(C)=O)C1 1108274936 SQSGGDSLIXXJPK-MRXNPFEDSA-N 309.410 -0.011 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cncnc1 1109180320 XPMJDGYANAYUTL-RDBSUJKOSA-N 313.361 -0.439 30 20 DBED COC(=O)NCC(=O)N[C@@H]1[C@H]2C[C@H]1N(c1cnc(C#N)cn1)C2 1109684082 JRHIBJMLTBVLDA-IYYTYJHQSA-N 316.321 -0.602 30 20 DBED N#Cc1ccc(NC[C@@H](NC(=O)CCNC(N)=O)C2CC2)nn1 1109850012 LAABYDFQROGKIF-LLVKDONJSA-N 317.353 -0.287 30 20 DBED N#Cc1ccc(NC2(CNC(=O)Cn3cnnc3O)CC2)nn1 1110098822 FPKZMAYVUZBABF-UHFFFAOYSA-N 314.309 -0.594 30 20 DBED C[C@]1(NC(=O)Cn2nccn2)CCN(c2ccc(C#N)nn2)C1 1110790206 UEXFVIXEGSFQOT-AWEZNQCLSA-N 312.337 -0.275 30 20 DBED CC(C)OCC(=O)N(C)[C@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1111184519 OQOYQIDLCVWJNF-RYUDHWBXSA-N 319.365 -0.219 30 20 DBED CNC(=O)CC(=O)N1C[C@@H](C)[C@@H](N=c2cc[nH]cc2C#N)C1 1112309178 VGLLFMGIYQJQEF-MFKMUULPSA-N 301.350 -0.230 30 20 DBED C=CCCO[C@H](C)C(=O)N1CCN(CC(=O)NC(N)=O)CC1 1112671635 NRPJWPNZERMDBX-LLVKDONJSA-N 312.370 -0.693 30 20 DBED CNC(=O)NCCC(=O)N[C@@H](C)[C@@H](C)Nc1nccnc1C#N 1113001601 LJSYTYYBCNVXGO-VHSXEESVSA-N 319.369 -0.028 30 20 DBED Cc1cc(C)n(CC(=O)N2CCN(CC(=O)NCC#N)CC2)n1 1113082541 FVLJOSCFBSGQGL-UHFFFAOYSA-N 318.381 -0.716 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)Cc2nonc2C)CC1 1113481229 SLNCFELDUJYWEY-GFCCVEGCSA-N 319.365 -0.797 30 20 DBED CCNC(=O)CC(=O)NC[C@H](C)N(C)c1ccnc(C#N)n1 1113566893 DRDUZWRWONJERX-JTQLQIEISA-N 304.354 -0.185 30 20 DBED C[C@H](CNC(=O)CC(=O)N(C)C)N(C)c1nccnc1C#N 1113917322 SXXXGDDDGMEODG-SNVBAGLBSA-N 304.354 -0.233 30 20 DBED C=CCCO[C@@H](C)C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1113996760 ZOQGSAFYVFOFEN-RMRHIDDWSA-N 320.393 -0.346 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)CCCCOC)[C@H]2C1 1114014042 HHPSWKRZHIMPLV-TTZDDIAXSA-N 321.421 -0.013 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)c3n[nH]c(C)c3O)[C@@H]2C1 1114141269 QKMXZCARGUYAAC-GHMZBOCLSA-N 304.350 -0.266 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)c3cnnc(C)c3)[C@@H]2C1 1114176264 STGOQAYAKNQPLR-CHWSQXEVSA-N 313.361 -0.806 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)c3coc(C)n3)[C@H]2C1 1114177799 DAJXKTSCILCSPF-QWRGUYRKSA-N 304.350 -0.055 30 20 DBED CCCC[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)CC(=O)NC 1114240830 DYRLGIWQNILXEQ-NSHDSACASA-N 318.381 -0.007 30 20 DBED N#CCNC(=O)CN1C[C@H]2C(NC(=O)[C@H](F)C(F)(F)F)[C@@H]2C1 1114308254 CQUAEANMZNLTQG-XSSZXYGBSA-N 322.262 -0.427 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1[C@H]2CN(C[C@H](O)COC)C[C@H]12 1114420237 FLOJEAHAICOOLA-AJNGGQMLSA-N 321.421 -0.862 30 20 DBED C=CC(C)(C)C(=O)N[C@H]1[C@@H]2CN(CCNS(C)(=O)=O)C[C@@H]21 1114686411 LLXVGFRTMQSJJK-GDNZZTSVSA-N 315.439 -0.206 30 20 DBED C=CCS(=O)(=O)NC(=O)c1cn(Cc2noc(C)n2)nn1 1116824683 CGYMQUATLBVJBU-UHFFFAOYSA-N 312.311 -0.737 30 20 DBED C#CCNC(=O)C1CCN(C(=O)[C@H](C)N2CCN(C)CC2)CC1 1116938571 UHYQUOPELFNLKE-AWEZNQCLSA-N 320.437 -0.390 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCCN(C(=O)CC)CC1 1117437092 VECSNARTLMRPRR-UHFFFAOYSA-N 309.366 -0.777 30 20 DBED O=C(NCC#Cc1ccccc1)C(=O)NCc1nnnn1C1CC1 1117514873 MGLWABNJVXMVOV-UHFFFAOYSA-N 324.344 -0.208 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)NCC1(N2CCOCC2)CC1 1117544087 KDFIYKRTBGVATF-LBPRGKRZSA-N 311.382 -0.715 30 20 DBED CNS(=O)(=O)c1ccc(CNC(=O)C#CCOC)s1 1118612268 YFHNHQTZRFGWJN-UHFFFAOYSA-N 302.377 -0.078 30 20 DBED CN1CCC[C@H](NC(=O)C(=O)Nc2ccc(C#N)cn2)C1=O 1118851385 BDQNTSCIWLOISH-JTQLQIEISA-N 301.306 -0.371 30 20 DBED COC[C@]1(C)NC(=O)N(CN2CCN(CCC#N)CC2)C1=O 1119076928 YJKJVKKFQAEPEE-AWEZNQCLSA-N 309.370 -0.568 30 20 DBED C[C@H](CN(C)C(=O)[C@H]1CCC(=O)NC1)N=c1cc[nH]c(C#N)n1 1120946876 FHAYVJQWBDMEAD-MNOVXSKESA-N 316.365 -0.445 30 20 DBED CNC(=O)CC(=O)NC1CC2(CC(NCC#CCOC)C2)C1 1121001301 CNLCSHFHCBWBSZ-UHFFFAOYSA-N 307.394 -0.211 30 20 DBED N#Cc1cnc(N[C@@H](CO)CNC(=O)C2=COCCO2)cn1 1121003693 MJBYHENLJKZJEF-SNVBAGLBSA-N 305.294 -0.875 30 20 DBED N#Cc1nccnc1N[C@@H](CO)CNC(=O)Cn1cccn1 1121057123 ZVNYIGYSGJFQRH-SNVBAGLBSA-N 301.310 -0.866 30 20 DBED N#Cc1c[nH]ccc1=N[C@H](CO)CNC(=O)C[C@H]1CCOC1 1121399134 MBJCHEYXOALFDN-YPMHNXCESA-N 304.350 -0.309 30 20 DBED Cc1cnoc1C(=O)NC[C@H](CO)Nc1nccnc1C#N 1122004327 TWMRFHACJSGGAB-SECBINFHSA-N 302.294 -0.153 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)c2cnnc(O)c2)nn1 1122158322 MVOAEXRVJOJXGS-SNVBAGLBSA-N 315.293 -0.953 30 20 DBED Cc1cc(C#N)nc(N[C@H](CO)CNC(=O)c2cnco2)n1 1122293196 MBDZWXSUDCPVSO-JTQLQIEISA-N 302.294 -0.153 30 20 DBED CO[C@@H](C(=O)NC[C@@H](CO)Nc1ccc(C#N)nn1)C(C)C 1122445931 WSLOBIKOVMPIGO-WCQYABFASA-N 307.354 -0.092 30 20 DBED N#Cc1nccnc1N[C@@H](CO)CNC(=O)CC1=CCOCC1 1122480582 OQZZKVPQFUIJGJ-GFCCVEGCSA-N 317.349 -0.026 30 20 DBED CN(C[C@@H](O)CNc1cnc(C#N)cn1)C(=O)[C@H]1CCCN1C 1124207681 RBLYJRBYZAWMNG-QWHCGFSZSA-N 318.381 -0.326 30 20 DBED C#CCN1CCn2ncc(CNC(=O)C[C@@H]3CCC(=O)N3)c2C1 1128521103 JVKSKKOMCWBOLB-ZDUSSCGKSA-N 315.377 -0.383 30 20 DBED C=CCOCCNCCNC(=O)[C@@H]1CC(=O)N(CCOC)C1 1128656407 BRBQLFUQJNSCAB-CYBMUJFWSA-N 313.398 -0.610 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1cc(C(F)(F)F)no1 1130008366 MHNMVFZJWKEMOW-UHFFFAOYSA-N 319.243 -0.347 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)Cn2cccn2)CC[C@H]1C 1131788874 YVYAIYJVXVQYQB-KGLIPLIRSA-N 317.393 -0.398 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2[nH]nnc2C)CC[C@@H]1C 1132212455 YURCRCBHLTZUFX-JQWIXIFHSA-N 318.381 -0.555 30 20 DBED C=CCN1C[C@@H](NC(=O)CNS(=O)(=O)N(C)C)CC[C@H]1C 1132327672 SXEOVEBBRSBIQF-NEPJUHHUSA-N 318.443 -0.463 30 20 DBED C#CCNC(=O)CNCCNC(=O)Cc1c(F)cccc1F 1133054097 ATNNUNHKIDOMCP-UHFFFAOYSA-N 309.316 -0.038 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)c1c(C)nn(C)c1OC 1134600533 UTXCNJUIODWDHY-NSHDSACASA-N 323.397 -0.253 30 20 DBED C#CCCN[C@@H](C)C[C@H](C)NC(=O)CNC(=O)CNC(C)=O 1134769041 IGXUIQQOLYJSQS-RYUDHWBXSA-N 310.398 -0.865 30 20 DBED COCC#CCN[C@@H](C)C[C@H](C)NC(=O)c1nnc(O)nc1O 1134867498 OKEYKSHRXPGXFH-UWVGGRQHSA-N 323.353 -0.581 30 20 DBED C=CCn1cc(C(=O)NCCNCc2nc(COC)no2)nn1 1134980727 KQZJFBMGXAENFH-UHFFFAOYSA-N 321.341 -0.487 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)c1cnn(CCOC)c1 1149345208 QTRSRXJHOXRRAL-GFCCVEGCSA-N 323.397 -0.460 30 20 DBED Cc1n[nH]c(C)c1C[C@@H](C)C(=O)NCCNCC(=O)NCC#N 1151545470 FXBJVBGQKURPTI-SNVBAGLBSA-N 320.397 -0.449 30 20 DBED C=CCCOCC(=O)NCCNCC(=O)NC[C@H]1CCCO1 1153085667 GSCWEPJTPHGTCW-CYBMUJFWSA-N 313.398 -0.420 30 20 DBED C#CCN(C)C[C@H]1CCCCN1C(=O)CC[C@H]1NC(=O)NC1=O 1158837679 OLWAWOSWKLJOBO-CHWSQXEVSA-N 320.393 -0.079 30 20 DBED C=CCNC(=O)CNCCCNC(=O)CCCNC(=O)C1CC1 1159270133 IJXMFDPZRRDGDX-UHFFFAOYSA-N 324.425 -0.309 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)NCCCNCc1cnnn1C 1167685544 WDJYUTBCJLDZJX-CQSZACIVSA-N 322.413 -0.118 30 20 DBED C[C@H](CC(=O)NCCCNCC(=O)NCC#N)[C@@H]1CCCO1 1174620035 DFCNAYUVIXWBNK-OLZOCXBDSA-N 310.398 -0.073 30 20 DBED CCNC(=O)NC(=O)CN[C@H]1CCN(C(=O)[C@H](C)C#N)[C@H]1C 1178367177 ZIWALEWQFDSBBB-VWYCJHECSA-N 309.370 -0.429 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@@H](NCc2nnnn2CCC)C1 1182505454 ZBXLQHUKZJWUAJ-CHWSQXEVSA-N 320.397 -0.188 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2coc(OCC)n2)C1 1183964841 JPUIXYUTHMBSFH-LLVKDONJSA-N 320.349 -0.373 30 20 DBED CN(CC(=O)NCC#N)[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 1189734386 IUXCWSQINCGFBF-CYBMUJFWSA-N 314.349 -0.328 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(CCOCC(F)F)C[C@H]1O 1192531590 YIZMGBMPKLQMJI-GYSYKLTISA-N 322.352 -0.244 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2ncc(C)o2)C[C@H]1O 1192844445 TVVLOJBBPMEOBY-YNEHKIRRSA-N 307.350 -0.317 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)C23CCN(CC2)C3)C1 1193468166 BETGTNVGNVXKMN-CQSZACIVSA-N 318.421 -0.636 30 20 DBED COCC#CCN1CCCN(C(=O)CNC(=O)C2CC2)CC1 1195025696 SNINHCHYUUUOJI-UHFFFAOYSA-N 307.394 -0.303 30 20 DBED COCC#CCN1CCCN(C(=O)c2nnn(C)c2C)CC1 1195394670 VLWBBEJOIWNHMN-UHFFFAOYSA-N 305.382 -0.079 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)CNC(=O)C2CCCCC2)C1 1198345837 VSYWBMCJTILGHS-CHWSQXEVSA-N 308.382 -0.632 30 20 DBED C=CCCNC[C@H]1CN(C(=O)C[C@@H]2NC(=O)NC2=O)CCCO1 1200713882 QCAQRDQQUAMXFH-RYUDHWBXSA-N 324.381 -0.632 30 20 DBED C#CCN[C@H]1C[C@H](NC(=O)CCNS(C)(=O)=O)C12CCC2 1202994338 DHAUBIUTRBKVLC-RYUDHWBXSA-N 313.423 -0.424 30 20 DBED C#CCCNC1CCN(C(=O)CS(=O)(=O)N(C)C)CC1 1203550851 FLCJRHJVQRGKPY-UHFFFAOYSA-N 301.412 -0.518 30 20 DBED Cc1nc(C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@H]2C)co1 1206897966 XEORNDNBTYVYPX-MWLCHTKSSA-N 305.338 -0.327 30 20 DBED N#CCNC(=O)CN[C@H]1CCCN(C(=O)C2=COCCO2)C1 1207141674 AFHHVKAFKPEZRY-NSHDSACASA-N 308.338 -0.905 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@@H](NCc2cn(C)nn2)C1 1207869794 LNNNLBAYLRGTMI-GFCCVEGCSA-N 318.381 -0.965 30 20 DBED COCC#CCN[C@H]1CCCN(C(=O)C[C@@H]2CCNC2=O)C1 1208325598 SYRSUFDSPSDCAY-KBPBESRZSA-N 307.394 -0.257 30 20 DBED C=C(C)CN(CC)C(=O)[C@H](C)N1C[C@@H](NC(=O)C(N)=O)[C@H](C)C1 1208455130 CJDWFLUDUSWLFR-FRRDWIJNSA-N 324.425 -0.279 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)CN2CCC[C@H]2C)[C@H](C)C1 1208591007 MVSXTICJTQDVJF-RBSFLKMASA-N 320.437 -0.343 30 20 DBED CC#CCN[C@H]1CCCN(C(=O)CCn2ncn(C)c2=O)C1 1208706072 YFNNPHADSUHASI-ZDUSSCGKSA-N 305.382 -0.424 30 20 DBED N#CCN[C@H]1CCCN(C(=O)CCCN2C(=O)CNC2=O)C1 1211013880 FGDGEHHWNGLMDT-NSHDSACASA-N 307.354 -0.577 30 20 DBED C=CCCOCC(=O)N1CCC[C@@H](NCc2nnn(C)n2)C1 1211354951 JDJJWHAOYNEHLX-GFCCVEGCSA-N 308.386 -0.117 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@@H](C)NC(=O)C(C)(C)C 1213246033 NIYYZBJSOPUWDG-IJLUTSLNSA-N 310.398 -0.124 30 20 DBED C#CCCN1C[C@@H](NC(=O)[C@H](NC(N)=O)C(C)(C)C)[C@H](OC)C1 1213725952 NHZFTTLPDDHTQP-UPJWGTAASA-N 324.425 -0.092 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)C2=CCOCC2)C[C@H]1C 1214493560 PTQFFKQLPIPCME-UMVBOHGHSA-N 319.405 -0.093 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)Cc2[nH]cnc2C)C[C@H]1C 1216561190 QLZADXIVTPYOQU-BXUZGUMPSA-N 317.393 -0.553 30 20 DBED C=CCCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1COC(=O)N1 1217770536 MGDAYIOBBDYRIN-FRRDWIJNSA-N 309.366 -0.027 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CN(Cc2nnc3n2CCCC3)C[C@@H]1O 1219378926 JIVQMBVCIXVAKD-TUAOUCFPSA-N 318.381 -0.565 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCCN2C(C)C)C1 1219599891 VZDPZPUBPUVBHP-PMPSAXMXSA-N 323.437 -0.330 30 20 DBED C=C[C@@H](CC)CC(=O)N[C@@H]1CN(CCS(C)(=O)=O)C[C@@H]1O 1220203709 OGWJKGQHJYKTAI-XQQFMLRXSA-N 318.439 -0.205 30 20 DBED C=CCC(C)(C)C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@@H]1O 1220434685 WZQXZSFQGFLQDH-NEPJUHHUSA-N 308.382 -0.610 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@H](CCC(C)C)NC(C)=O)C1 1221199052 ORJNGMUBLOUHKP-ZNMIVQPWSA-N 309.410 -0.278 30 20 DBED C=CCNC(=O)[C@H](C)N1CC[C@@H]2CN(C(=O)c3nc[nH]n3)[C@@H]2C1 1221879872 WURFFGPGJCSMHO-QJPTWQEYSA-N 318.381 -0.358 30 20 DBED N#CCN1CC[C@@H]2CCN(C(=O)CCCS(N)(=O)=O)C[C@@H]21 1223402247 XQDLCHHELXGGLI-NEPJUHHUSA-N 314.411 -0.499 30 20 DBED N#CCNC(=O)CN1CCC(NC(=O)Cc2cccnc2)CC1 1226875217 GGOMZHWANHPEDW-UHFFFAOYSA-N 315.377 -0.156 30 20 DBED C#CCCN1CCC(NC(=O)CCc2nnc(O)nc2O)CC1 1228156173 DXFCMTCHZLPDTR-UHFFFAOYSA-N 319.365 -0.181 30 20 DBED CC(C)[C@@H](O)C(=O)NCC[C@@H]1CN(CC#N)CCS1(=O)=O 1230460247 OPSCRLHXOQLBBV-VXGBXAGGSA-N 317.411 -0.868 30 20 DBED C#CCNC(=O)[C@H](C)N(C)CCCNC(=O)[C@H](C)NC(C)=O 1233590549 YVTVAAHIBLNVBN-RYUDHWBXSA-N 310.398 -0.913 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)C1CC(OC)C1 1235631808 BVZQYSCXVDFUMG-MOKVOYLWSA-N 307.394 -0.307 30 20 DBED C=CCNC(=O)CNC(=O)C(=O)Nc1cccc([S@@](C)=O)c1 1254238320 QJIXRHUPVBRTJS-JOCHJYFZSA-N 323.374 -0.219 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N1CCC(NC(=O)OC)CC1 1261651796 UNSMCAHIRGJDNW-UHFFFAOYSA-N 319.361 -0.182 30 20 DBED C=C(C)Cn1c(CCO)nnc1N1CCN2C(=O)NC[C@@H]2C1 1263298953 NYGWTVHYBRHVPW-LLVKDONJSA-N 306.370 -0.397 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@@H](C)n2ccnc2)CC1 1318499535 NPKCVDATYNQGOV-CQSZACIVSA-N 317.393 -0.272 30 20 DBED N#CCOc1cccc(CC(=O)NCCCS(N)(=O)=O)c1 1319538585 GFSJTJLYGCQCKE-UHFFFAOYSA-N 311.363 -0.074 30 20 DBED CC1(CO)CCN(C(=O)C(=O)Nc2cnn(CC#N)c2)CC1 1321135558 IZCURXJAPBAIQN-UHFFFAOYSA-N 305.338 -0.034 30 20 DBED C=C[C@@H](C)NC(=O)C(=O)Nc1cccc(C(=O)NCC(N)=O)c1 1322495978 VNZSCTFYMGPXCS-SECBINFHSA-N 318.333 -0.469 30 20 DBED C#CCn1cc(CNC(=O)C2CCN(S(C)(=O)=O)CC2)cn1 1324864294 HHLRDCTVYNAEEV-UHFFFAOYSA-N 324.406 -0.196 30 20 DBED N#CCN1CCC(NC(=O)C(=O)N2CC[C@]3(CCOC3)C2)CC1 1326505051 DLBUBNFFCRFBLV-INIZCTEOSA-N 320.393 -0.270 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCC[C@@H]1C(=O)NC1CC1 1329098826 KPPZCSZEEZUWGF-GFCCVEGCSA-N 307.350 -0.978 30 20 DBED N#CC[C@H]1CCCN(C(=O)C(=O)N[C@H]2CC[C@@H](C(N)=O)C2)C1 1330623269 RARBPNMMJNLQCD-UTUOFQBUSA-N 306.366 -0.091 30 20 DBED C=CCn1nnnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1334449579 UELJXBPTLXTAIF-SNVBAGLBSA-N 300.388 -0.375 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCOCC[C@@H]1C 1335675177 VUCXXSUMCQIIGH-NSHDSACASA-N 318.395 -0.659 30 20 DBED C#CCN1CCC[C@H](NC(=O)N(C)CCNS(C)(=O)=O)C1 1337738020 RZPVNAUJLVAVGJ-LBPRGKRZSA-N 316.427 -0.725 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N1CCS(=O)(=O)CC1 1347447662 RYPDIBHNNJRFMD-UHFFFAOYSA-N 310.397 -0.973 30 20 DBED CC#CCN(C)C(=O)C(=O)N1CCN(C(=O)N2CCCC2)CC1 1348130969 ORZAYJFDWLKANB-UHFFFAOYSA-N 320.393 -0.172 30 20 DBED C[C@@H]1C[C@@H]1N1C[C@@H](Nc2[nH]c(=O)n(C)c(=O)c2C#N)CC1=O 1363744813 WNTJCMYIUHSNRN-WEDXCCLWSA-N 303.322 -0.634 30 20 DBED C=C(Cl)CN1CC[C@](C)(NC(=O)Cn2ncn(C)c2=O)C1 1380358197 QTSYPHRMLLORIU-ZDUSSCGKSA-N 313.789 -0.085 30 20 DBED C[C@H](CNC(=O)CCC(=O)N1CCOCC1)NC(=O)[C@H](C)C#N 1392572098 NXJJJBHEAQGQRX-VXGBXAGGSA-N 324.381 -0.594 30 20 DBED C[C@@H](CN(C)C(=O)CCN1CCOCC1)NC(=O)[C@H](C)C#N 1395627203 XYSHIDWAODPICE-OLZOCXBDSA-N 310.398 -0.169 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CN(CCNS(C)(=O)=O)C[C@@H]2C1 1402425221 PRIQHRRZJWSICM-SDDRHHMPSA-N 314.411 -0.915 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](NC(=O)CCNC(N)=O)C1CCCC1 1410949712 BIPZTKSDPFGWIW-CMPLNLGQSA-N 323.397 -0.004 30 20 DBED CN(C)S(=O)(=O)CCS(=O)(=O)NCC1(C#N)CCC1 1424251203 MRTSKINRYPSFBZ-UHFFFAOYSA-N 309.413 -0.509 30 20 DBED CC[C@@H](CNC(=O)Cc1nc[nH]n1)NC(=O)c1c[nH]c(C#N)c1 1451146305 WPXFIQRFDCLKQC-JTQLQIEISA-N 315.337 -0.128 30 20 DBED Cc1ncc(CNC(=O)CCn2cc(C#N)c(O)nc2=O)o1 1468881253 ICNQNYSNAZHTCD-UHFFFAOYSA-N 303.278 -0.177 30 20 DBED Cn1ncc(C(=O)NC[C@@H](O)CNCc2cccc(C#N)c2)n1 1497070454 OBUYRLZVMUZWEM-ZDUSSCGKSA-N 314.349 -0.433 30 20 DBED COC(=O)N1CCN(c2cnc(-c3nn[nH]n3)c(C#N)n2)CC1 1570918694 JJUVWLLLWSBBOA-UHFFFAOYSA-N 315.297 -0.583 30 20 DBED CC(C)[C@@H](C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[nH]1)N(C)C 1573982019 LJSYLNIZOOQASQ-VIFPVBQESA-N 303.330 -0.014 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@H]1CC[C@@H](C(=O)O)C1 1574153661 PSHXMMSARWFUMZ-MNOVXSKESA-N 319.383 -0.064 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](C)CN(C)c1cncc(-c2nn[nH]n2)n1 1574811266 MTGJHDLMAWGOQP-DTWKUNHWSA-N 315.341 -0.243 30 20 DBED COC(=O)COCCNc1cnc(C#N)c(-c2nn[nH]n2)n1 1579450476 PSMOKIOTAIIPBK-UHFFFAOYSA-N 304.270 -0.870 30 20 DBED N#C[C@]12CN(C(=O)C3(CN)CCCC3)C[C@H]1CS(=O)(=O)C2 1580056349 AQVMQYPZOPJVIR-SMDDNHRTSA-N 311.407 -0.098 30 20 DBED C#CCC[C@H](O)CNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 1588337360 NTWBAYBGQYFTCG-NSHDSACASA-N 321.362 -0.081 30 20 DBED C#CC[C@@H](NC(=O)c1cc(S(N)(=O)=O)c(Cl)o1)C(=O)O 1588413614 DBAGBLHQCZXZHT-RXMQYKEDSA-N 320.710 -0.213 30 20 DBED C=C[C@@H](OC(=O)[C@H](C)n1cnc(-c2nn[nH]n2)n1)C(=O)OCC 1588525868 MFEDEFSFURURRZ-JGVFFNPUSA-N 321.297 -0.320 30 20 DBED C[C@@H]1C[C@@H](C(=O)O)CN(S(=O)(=O)N2CCO[C@@H](C#N)C2)C1 1589282394 QDMWLYVCXUGNPW-MXWKQRLJSA-N 317.367 -0.502 30 20 DBED N#CC1(C(=O)O)CCN(C(=O)NCC[C@@]2(O)CCOC2)CC1 1601051189 FPCIMGQHAZIMOH-CQSZACIVSA-N 311.338 -0.072 30 20 DBED C=C(CCN(C)C)C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[nH]1 1602767740 MHYVIDZOJPBFIE-UHFFFAOYSA-N 301.314 -0.092 30 20 DBED C=C(CCC(=O)O)C(=O)N1CCC[C@@H](CNS(N)(=O)=O)C1 1602776160 MSWNVAIKVDZOPN-JTQLQIEISA-N 319.383 -0.561 30 20 DBED C[C@@H](NC(=O)Cn1cnc(C#N)n1)C(=O)NCc1ccco1 1647110854 OTPKPIIRFWUYKC-SECBINFHSA-N 302.294 -0.436 30 20 DBED C[C@H](C#N)OCCN(C)CC(=O)N[C@H]1CCS(=O)(=O)C1 1649794314 WGYKVMROYZIRDG-MNOVXSKESA-N 303.384 -0.850 30 20 DBED CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)NCc1ccc(C#N)cn1 1649887849 TZWSJLMAGFKMNF-NEPJUHHUSA-N 324.362 -0.436 30 20 DBED Cc1ccoc1CC(=O)N1CC[C@H](NCC(=O)NCC#N)C1 1713340510 LXSURAOESJZCTJ-LBPRGKRZSA-N 304.350 -0.039 30 20 DBED C#CCCN1CCN(CCCNC(=O)[C@H]2CCN(C)C2=O)CC1 1752352188 KHZYAMLTLAUZTP-OAHLLOKOSA-N 320.437 -0.388 30 20 DBED C#CCNC(=O)CN[C@H](CNC(=O)Cc1ccon1)C1CC1 1752449503 JDZYUSCHBAUQNY-CYBMUJFWSA-N 304.350 -0.549 30 20 DBED CCN(CCNC(=O)C#CC1CC1)[C@H](C)C(=O)NC(=O)NC 1753081511 IOQPYEZOAQYEDW-LLVKDONJSA-N 308.382 -0.318 30 20 DBED C=CCN1CC[C@H](CNC(=O)Cn2ccc(=O)n(C)c2=O)C1 1753130650 XBJGFEOBMXTKPY-GFCCVEGCSA-N 306.366 -0.829 30 20 DBED COCC#CCN(C)CCN(C)C(=O)[C@H]1CCS(=O)(=O)C1 1753856788 VMUJVRJBYNQCGA-ZDUSSCGKSA-N 316.423 -0.539 30 20 DBED C=CCNC(=O)CN1CC[C@H]1CNC(=O)CN1CC[C@H](C)C1 1754493729 FDCLFUNYHIKCJZ-KBPBESRZSA-N 308.426 -0.179 30 20 DBED C=CCNC(=O)CNC1(CNC(=O)c2ccnc(OC)n2)CC1 1754520414 QGZCWXDCBIQHQA-UHFFFAOYSA-N 319.365 -0.361 30 20 DBED CC[C@@H](C(=O)N1CCC[C@H]1CNCC(=O)NCC#N)N(C)C 1754617916 NMBQRQHPLKAUNK-STQMWFEESA-N 309.414 -0.453 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@]1(O)CCN(CCF)C1 1754760979 WRTRDFNAEXVAJS-UKRRQHHQSA-N 315.389 -0.020 30 20 DBED C#CCNC(=O)CN1C[C@H]2CN(C(=O)c3cccnn3)C[C@H]2C1 1754844614 QQOJLNQQSPUMFX-BETUJISGSA-N 313.361 -0.770 30 20 DBED C#CCNC(=O)CN1CCC[C@@](CO)(NC(=O)C=C2CCC2)C1 1754854393 SBHYKKBTPDAKGB-QGZVFWFLSA-N 319.405 -0.211 30 20 DBED CC#CCNCCN(CCO)C(=O)c1cnn2c(=O)cc[nH]c12 1754893039 IOBIESHSEDDVSJ-UHFFFAOYSA-N 317.349 -0.930 30 20 DBED C#CCNC(=O)CN1CCC[C@@H](NC(=O)Cc2cnc[nH]2)CC1 1755028690 HFBGWWZEUTUVBQ-CYBMUJFWSA-N 317.393 -0.328 30 20 DBED C#CCN1CCCCC[C@@H]1CNC(=O)CN1CCNC(=O)C1 1755366118 LCCGHHZMZUIDIG-CQSZACIVSA-N 306.410 -0.588 30 20 DBED C#CCCN1CC([C@H](C)NC(=O)[C@H](C)N2C(=O)CCC2=O)C1 1755379814 SNLQKWOGUHQHGK-RYUDHWBXSA-N 305.378 -0.016 30 20 DBED C=CCN1C[C@H]2C(CNC(=O)CN3CCC(=O)NC3=O)[C@@H]2C1 1755433596 HIYVLGWYZAYZRO-RYUDHWBXSA-N 306.366 -0.592 30 20 DBED C[C@H](CN(C)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)NCC(=O)NCC#N 1755608232 YAJVWELCEIYMOY-LPWJVIDDSA-N 308.382 -0.370 30 20 DBED C=CCn1cc(C(=O)N(C)C[C@@H](C)N[C@H]2CCNC2=O)nn1 1755608766 IQAXBCZSHXACBL-MNOVXSKESA-N 306.370 -0.597 30 20 DBED CC(C)C#CC(=O)NC[C@@H](CO)NCc1nc(C2CC2)n[nH]1 1755628908 YCBCNNPSTGTNCO-LBPRGKRZSA-N 305.382 -0.092 30 20 DBED C=CCCN[C@H](CO)CNC(=O)c1cc(C)c(C(N)=O)cn1 1755639790 YISOSZMBXQPUAD-NSHDSACASA-N 306.366 -0.255 30 20 DBED Cc1cc(C(=O)N(C)C[C@@H](O)CNCC(=O)NCC#N)oc1C 1755777992 PLXZEQXJCVWBTA-LBPRGKRZSA-N 322.365 -0.441 30 20 DBED COCC#CCN(C)C[C@H](O)CN(C)C(=O)C[C@@H]1CCCO1 1755797602 FQOLNJMIWIIDKK-GJZGRUSLSA-N 312.410 -0.044 30 20 DBED C#CCN(C)C[C@H](O)CN(C)C(=O)[C@]1(CC(C)C)CCNC1=O 1755802162 QMDYNUVJUYGEPN-YOEHRIQHSA-N 323.437 -0.077 30 20 DBED C#CCN(C)C[C@H](O)CN(C)C(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1755803400 UFTBKCMXGZICJX-ZQDZILKHSA-N 310.394 -0.578 30 20 DBED C#CCCCC(=O)N(C)C1CC(NC(=O)CCn2cnnn2)C1 1756738699 YMUCQZPFTLORII-UHFFFAOYSA-N 318.381 -0.028 30 20 DBED C=C(C)CCC(=O)N[C@@H]1CN(C(=O)c2nnn(C)c2C)C[C@H]1O 1757003692 TWWZMRYMQPFLPV-VXGBXAGGSA-N 321.381 -0.219 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@H](NC(=O)CCn2ccnc2)C1 1757195614 OINDMLSCNVAKNA-OLZOCXBDSA-N 306.366 -0.073 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)C(C)(C)C)CCO2 1783046710 TWQYAOSVKAQZNS-CZUORRHYSA-N 308.378 -0.144 30 20 DBED CC[C@@H](C)[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC#N)C2 1793395971 GWUDTASNCMSYAV-GGUBGCTKSA-N 323.393 -0.103 30 20 DBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCOCC)C2)C1 1839811418 SYEVNWPLCPNFLS-INIZCTEOSA-N 324.377 -0.497 30 20 DBED N#CCC(=O)N1CCCC12CN(C(=O)c1cc(CO)on1)C2 1842622926 JYJKJEDDIBKSJT-UHFFFAOYSA-N 304.306 -0.102 30 20 DBED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)C2=COCCC2)C1 1846409489 PBFRVGOGMBLJCV-UHFFFAOYSA-N 318.329 -0.028 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1C[C@@H](O)C1 1847802043 GYSMJDXMLMZGQF-MRLBHPIUSA-N 320.389 -0.003 30 20 DBED CC(=O)N1CCN(/C(=N\C2CC2)NCc2nnc(C)n2C)CC1 262024348 ZJVXQUPBCWIEOH-UHFFFAOYSA-N 319.413 -0.104 30 20 DBED C=C(C)[C@H]1OCC[C@H]1C(=O)NCCC(=O)NS(C)(=O)=O 282312480 UBYOAQQGKCQIHM-MWLCHTKSSA-N 304.368 -0.450 30 20 DBED CCS(=O)(=O)NCCNS(=O)(=O)c1cncc(C#N)c1 289382701 CMABZNGDHWRKQE-UHFFFAOYSA-N 318.380 -0.829 30 20 DBED CS(=O)(=O)N1CC[C@H](C/N=C(/O)N[C@@H]2CCCOC2)C1 328776901 FSAVNYJGTHTGPI-GHMZBOCLSA-N 305.400 -0.050 30 20 DBED C[C@]1(/N=C(/O)CN2CCN(S(C)(=O)=O)CC2)CCOC1 328868020 ONRIHTYMTQHKQR-LBPRGKRZSA-N 305.400 -0.301 30 20 DBED C/N=C(/O)C1CN(C(=O)CN(C)[C@H]2CCS(=O)(=O)C2)C1 329878873 LLLSMCRRWDOYEB-JTQLQIEISA-N 303.384 -0.850 30 20 DBED C[C@@H](/N=C(/O)CN1C[C@@H](O)C[C@H]1CO)C(=O)N1CCCCC1 329938658 ALLUPJQKKBTMBH-AGIUHOORSA-N 313.398 -0.229 30 20 DBED CS(=O)(=O)N1CCN(C/C(O)=N/[C@H]2CCCN=C2O)CC1 329961538 RQYWUQVGOGSSKC-JTQLQIEISA-N 318.399 -0.361 30 20 DBED N#Cc1ccc(NCC(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)cc1 332569480 VVLDBRNVHXRILZ-LBPRGKRZSA-N 313.317 -0.267 30 20 DBED CCOC(=O)C[C@H](C)N(C)S(=O)(=O)N1CCO[C@@H](C#N)C1 336934085 DMWQTEIYPGUTHI-QWRGUYRKSA-N 319.383 -0.271 30 20 DBED CC(=O)C[C@H]1COCCN1S(=O)(=O)N1CCO[C@@H](C#N)C1 336946204 ODQWUVIOAWJDGE-RYUDHWBXSA-N 317.367 -0.865 30 20 DBED CCN(CCC#N)S(=O)(=O)NC[C@@H](O)CN1CCCCC1 337099765 UUSYZPSWLOTZSB-CYBMUJFWSA-N 318.443 -0.097 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@H]1C(=O)NCC[C@H]1C 337213146 WCNHEIAUBHBNOT-GHMZBOCLSA-N 318.399 -0.793 30 20 DBED CNC(=O)N[C@@H]1CCN(CC(=O)N(CCC#N)CCC#N)C1 342377501 QHHUVEBAZNSYSF-GFCCVEGCSA-N 306.370 -0.354 30 20 DBED CC(C)(C)OC(=O)CNC(=O)Cn1c(N)nc(C#N)c1C#N 342582428 ZLJHBIPZAANPGE-UHFFFAOYSA-N 304.310 -0.333 30 20 DBED CN(C)S(=O)(=O)CCCS(=O)(=O)N(C)C1(C#N)CCC1 349572425 HSGPEVHFJQMXLA-UHFFFAOYSA-N 323.440 -0.024 30 20 DBED COC(=O)CN1CCN([C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 355235927 GWBVBKZHLQVNTK-OAHLLOKOSA-N 316.361 -0.125 30 20 DBED C=CCN(CCOC)C(=O)CNS(=O)(=O)c1cn(C)cn1 355984096 KVRONGPBHRTQHD-UHFFFAOYSA-N 316.383 -0.641 30 20 DBED CC[C@H](C)[C@@H](NC(=O)CC#N)C(=O)NCCN1CCOCC1 356088043 DIWRFGVBZWQNIB-GXTWGEPZSA-N 310.398 -0.121 30 20 DBED CC(=O)NCC(=O)NCC(=O)NC1(c2cccc(C#N)c2)CC1 357309238 QDITYUJZIDYWSS-UHFFFAOYSA-N 314.345 -0.084 30 20 DBED CC(C)OCCS(=O)(=O)NCC(=O)N(CC#N)C1CC1 357426594 OKTQUGWZMQNCOI-UHFFFAOYSA-N 303.384 -0.155 30 20 DBED CCOC(=O)CCNC(=O)C(=O)Nc1nn(C(C)C)cc1C#N 359138092 JRNKHVWYUFBLNM-UHFFFAOYSA-N 321.337 0.344 30 20 DBED C=CCNC(=O)NC(=O)CN1CC[C@H](C(=O)N2CCCC2)C1 370680528 ICBAOYZJEHXZGT-LBPRGKRZSA-N 308.382 -0.058 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)C[C@](C)(O)C2CC2)CC1 491167340 XPYHBXHYHOBBNZ-INIZCTEOSA-N 307.394 -0.569 30 20 DBED CC(C)(O)C(C)(C)CNS(=O)(=O)N1CCO[C@H](C#N)C1 516878241 DMOMUQVHGLPBOJ-SNVBAGLBSA-N 305.400 -0.158 30 20 DBED CCC[C@@H](C#N)NC(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1 531031355 NPMVJNPUTUWRNJ-UWVGGRQHSA-N 313.383 -0.105 30 20 DBED N#Cc1cccc(N2CCN(C(=O)Cn3cnnc3O)CC2)n1 548734135 XJIBDNYKJGOAHI-UHFFFAOYSA-N 313.321 -0.401 30 20 DBED COC(=O)[C@@H]1C[C@H](O)CN(C(=O)[C@@H](C)n2cnc(C#N)n2)C1 592934620 YXORXTMHXUPGFJ-BBBLOLIVSA-N 307.310 -0.907 30 20 DBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H](C#N)CO 597741389 NYDFOBUYAKOSJB-MWLCHTKSSA-N 322.346 -0.774 30 20 DBED C[C@H]1CN(C(=O)C(=O)N2CCN(CCC#N)CC2)C[C@@H](C)O1 601416355 PARAILYUHXYBPU-BETUJISGSA-N 308.382 -0.320 30 20 DBED N#Cc1ccc(N2CCC[C@@H]2C(=O)NCCS(N)(=O)=O)cc1 609112661 PJVMCKJCLZGGRI-CYBMUJFWSA-N 322.390 -0.068 30 20 DBED COC(=O)Cn1cc(S(=O)(=O)N2CC[C@](F)(C#N)C2)cn1 615549588 OSTCZQSJIURHSU-NSHDSACASA-N 316.314 -0.318 30 20 DBED C=C[C@@H](C(=O)OC)N1CCN([C@@H](C=C)C(=O)OC)CC(O)C1 619719793 FAOPMVJVAIJHDN-STQMWFEESA-N 312.366 -0.580 30 20 DBED CC(=O)[C@H]1CCCCN1S(=O)(=O)N1CCO[C@H](C#N)C1 632383598 RXBNUPCSURBYRT-VXGBXAGGSA-N 301.368 -0.101 30 20 DBED C#CCNC(=O)CN1CCN([C@H](C)C(=O)N2CCCC2)CC1 728573062 JSGYJSLYXYYJJY-CQSZACIVSA-N 306.410 -0.636 30 20 DBED C[C@H]1Oc2ccccc2N(CC(=O)OCC(=O)NCC#N)C1=O 731240699 KBNDMKWBFYXNLN-SNVBAGLBSA-N 317.301 -0.017 30 20 DBED C#CCNC(=O)[C@@H](C)OC(=O)C1CCC2(CC1)NC(=O)NC2=O 732347337 VUVWKBWQPZHZFF-SBTGLGLWSA-N 321.333 -0.564 30 20 DBED C#CCOCCNC(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 753379713 TXQPKFOEXFAINY-CYBMUJFWSA-N 309.366 -0.331 30 20 DBED C#CCOc1cccc(NC(=O)C(=O)NCCn2ncnn2)c1 774435221 JNDMCABXZJWHPH-UHFFFAOYSA-N 314.305 -0.560 30 20 DBED C#C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(C)=O)[C@@H]1CCCO1 775343520 YRALPBZRYQHIIK-IHRRRGAJSA-N 321.377 -0.590 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1CCC2(CC1)CNC(=O)O2 781997326 HUJKBOILPQJYMP-JTQLQIEISA-N 310.354 -0.039 30 20 DBED N#CC1(NC(=O)COC(=O)c2cccc(C(N)=O)n2)CCC1 784242847 CUAUJYLJLLCILH-UHFFFAOYSA-N 302.290 -0.100 30 20 DBED C#CCOCCNC(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 784548442 GRYKVYQRKXCYDG-LBPRGKRZSA-N 317.411 -0.393 30 20 DBED N#CC1(CS(=O)(=O)NC(=O)COC[C@@H]2CCCO2)CC1 793200461 BVTIPFSSAADHEX-JTQLQIEISA-N 302.352 -0.068 30 20 DBED C=CCN(CCOC)C(=O)C(=O)NCCC1(C)OCCO1 806375758 PVILKTLAGKOXMA-UHFFFAOYSA-N 300.355 -0.083 30 20 DBED Cn1cc(C(=O)Nc2n[nH]c(C3CC3)c2C#N)c(=O)n(C)c1=O 807699818 WMJOIQMHXDFVIO-UHFFFAOYSA-N 314.305 -0.192 30 20 DBED C#CCOCCNC(=O)C(=O)Nc1ccc2nc(C)nn2c1 810383978 XALQVNLCMGKMHL-UHFFFAOYSA-N 301.306 -0.258 30 20 DBED COc1ccccc1NC(=S)NN=C1C(=O)NC(=O)NC1=O 814214084 QUFAVPVMRGQJEF-UHFFFAOYSA-N 321.318 -0.296 30 20 DBED C#CCn1ccc(CN(CC)C(=O)C2=NN3CCCN=C3N2)n1 834706072 ZHSGXZYGUDXMAA-UHFFFAOYSA-N 313.365 -0.157 30 20 DBED CN1C(=O)c2ccc(S(=O)(=O)O[C@H]3CNOC3)cc2C1=O 845932147 PIFSEDQVPNBTBJ-ZETCQYMHSA-N 312.303 -0.479 30 20 DBED C#Cc1cccc(NC(=O)CNC(=O)NCC(=O)NOCC)c1 846723633 HERUIBNAEHKSRC-UHFFFAOYSA-N 318.333 -0.027 30 20 DBED C#CC[C@@H](CO)NC(=O)[C@](C)(O)CN1Cc2ccccc2C1=O 854543616 YKGAASACUUPDNT-SUMWQHHRSA-N 316.357 -0.106 30 20 DBED COC(=O)c1cnn(CC(=O)OCC(=O)N(C)C(C)(C)C#N)c1 859970298 JBAWUOUVMMQNMU-UHFFFAOYSA-N 322.321 -0.027 30 20 DBED C=CCNC(=O)[C@H](C#N)C(=O)[C@H]1CCCN(S(C)(=O)=O)C1 860470883 ABEHKAFNHXQJDQ-WDEREUQCSA-N 313.379 -0.331 30 20 DBED C#Cc1cc(F)c(NC(=O)C(=O)NC[C@H]2COCCN2)c(F)c1 861522209 PYLVSHLZIMPIQB-JTQLQIEISA-N 323.299 -0.011 30 20 DBED COc1ccnc(C=NN2C(=O)[C@@H]3[C@H]4C=C[C@@H](O4)[C@@H]3C2=O)n1 872427026 ABAXKZYAEJEGDU-VNOQCFOKSA-N 300.274 -0.243 30 20 DBED C#CC1(O)CN(C(=O)CNc2ccc(S(C)(=O)=O)cc2)C1 890526090 HERNMPDMLJVMKF-UHFFFAOYSA-N 308.359 -0.292 30 20 DBED C#CCSCC(=O)NS(=O)(=O)N(C)CCC(=O)OCC 893422346 HGLHLLKYTGYMEL-UHFFFAOYSA-N 322.408 -0.401 30 20 DBED C#CCSCC(=O)N1CCS(=O)(=O)[C@H]2COCC[C@H]21 909924550 ZGXXUXLYBRTXED-MNOVXSKESA-N 303.405 -0.233 30 20 DBED CNC(=O)[C@H](C#N)C(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 917005000 IIYMLGBVDIXDEW-NFQPTNBHSA-N 301.302 -0.752 30 20 DBED C#CC[C@@H](CO)NC(=O)N[C@@H]1CCN(c2cc(C)nn2C)C1=O 920784210 BTUKVXBDHIZIRL-NWDGAFQWSA-N 319.365 -0.483 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N1[C@H](C)C(=O)N[C@@H](C)[C@H]1C 921897703 UBMCBYKYAZSYAV-HBNTYKKESA-N 317.411 -0.106 30 20 DBED C[C@H]1CN(C[C@H](O)CC#N)CCN1c1nccn2cnnc12 930044182 YEQUFGPFZKZDHV-NWDGAFQWSA-N 301.354 -0.091 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@H](NC(=O)[C@H]3CCC(=O)N3)C2)c1 937748292 XFRDOKTYZMJNMV-WDEREUQCSA-N 315.333 -0.504 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)c2ccc(C(N)=O)nc2)C1 938198599 XTNTYWXWWAPJSN-ONGXEEELSA-N 315.333 -0.329 30 20 DBED CC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCN(C(=O)[C@H](C)C#N)C1 941123866 AIEQEPMFOOJNHF-RAIGVLPGSA-N 306.366 -0.126 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@H](CNC(=O)c2cn(C)c(O)n2)C1 944758326 ABWBJVCHZSYUTE-VHSXEESVSA-N 321.337 -0.757 30 20 DBED C[C@H]1CCCN(C(=O)C(N)=O)[C@@H]1CNC(=O)c1ccc(C#N)[nH]1 945800873 OHDPLPBAJOQZMX-JOYOIKCWSA-N 317.349 -0.271 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C[C@@H]1C 947324012 OTXBYWNJHJBMJO-RYUDHWBXSA-N 320.397 -0.078 30 20 DBED C=CCN1CC[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C[C@@H]1C 947369690 OPDHMOKSOUQWIN-STQMWFEESA-N 320.393 -0.298 30 20 DBED CC[C@H]1CN(C(=O)C(N)=O)CC[C@@H]1NC(=O)c1cc(C#N)c[nH]1 948524080 BXSQLXQRZUJKQM-QWRGUYRKSA-N 317.349 -0.271 30 20 DBED C=CCn1cc(C(=O)N2CCN([C@@H](CC)C(N)=O)CC2)nn1 951559572 CQZHTRTYTRVMOG-LBPRGKRZSA-N 306.370 -0.514 30 20 DBED Cn1nnc(C(=O)NC[C@H]2CCN2C(=O)c2c[nH]c(C#N)c2)n1 951620538 KSBPHUXKFVRGPG-SNVBAGLBSA-N 314.309 -0.946 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](CNC(=O)c2ccc(O)nn2)C1 957845659 BKPBBCMLIWUGKB-KOLCDFICSA-N 312.757 -0.043 30 20 DBED C#CCN1C[C@H](CNC(=O)c2ccc3nn[nH]c3n2)[C@@H](O)C1 958121674 JOVSJZPBBOYOLT-CABZTGNLSA-N 300.322 -0.991 30 20 DBED CN(C(=O)C1CC1)[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1O 958391314 GQVUQIRZZMRIKT-STQMWFEESA-N 302.334 -0.060 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2CN(CCOC)C[C@@H]2O)cn1 958602493 HABHTJYVZIVDCD-ZFWWWQNUSA-N 303.362 -0.268 30 20 DBED COCCn1cc(C(=O)NC[C@@H]2CN(CC#N)C[C@@H]2O)cn1 958634953 DIESJLVNKDPERP-YPMHNXCESA-N 307.354 -0.924 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2cnn(CCOC)c2)C1 958635387 IOGFPCCEVVGBRF-TZMCWYRMSA-N 306.366 -0.815 30 20 DBED C#CCCN1C[C@H]2C(NC(=O)C3CC4(C3)CS(=O)(=O)C4)[C@@H]2C1 960555791 SHYVIVRQDSNEMN-CHWSQXEVSA-N 322.430 -0.119 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CN(C(=O)[C@@H]3CCN(C)C3=O)C[C@H]2C1 962160513 RLWFAJLBOZDRDH-WUHRBBMRSA-N 318.377 -0.459 30 20 DBED N#Cc1c[nH]c(C(=O)N2CCC[C@@H](NC(=O)C(N)=O)CC2)c1 965129654 DNVIXEFXAWUPFB-SNVBAGLBSA-N 303.322 -0.517 30 20 DBED Cc1c[nH]nc1C(=O)N1CCOC2(C1)CN(C(=O)[C@H](C)C#N)C2 965378067 LFRODOCIZAADCC-SNVBAGLBSA-N 317.349 -0.069 30 20 DBED C#Cc1ccc(C(=O)N2C[C@@H]3CC[C@H](C2)N3C(=O)C(N)=O)nc1 969789517 ZXXXITHJFVMATC-TXEJJXNPSA-N 312.329 -0.636 30 20 DBED C=CCN1CC[C@@H](N[C@@H]2CCN(C(=O)Cc3cnc[nH]3)C2)C1=O 970103922 VKEVSYIFUAKRKP-TZMCWYRMSA-N 317.393 -0.070 30 20 DBED CN(CCN1CCNC1=O)[C@H]1CCN(C(=O)C#CC2CC2)C1 971511083 ITEFARLSMIBFHQ-AWEZNQCLSA-N 304.394 -0.042 30 20 DBED C#CCN1C[C@@H]2C(CNC(=O)C3CCS(=O)(=O)CC3)[C@H]2C1 978824107 LASSRXRNPDJWQH-ZIAGYGMSSA-N 310.419 -0.262 30 20 DBED C[C@H]1C[C@H](NCC#N)CN1C(=O)CN1C(=O)NC(=O)C1(C)C 989647432 WIUDQYVYMDMGDX-UWVGGRQHSA-N 307.354 -0.581 30 20 DBED O=C(Cc1cnc[nH]1)N[C@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1O 991801795 CMCFWCSNWDERHF-KBPBESRZSA-N 316.361 -0.556 30 20 DBED N#CCN1CC[C@]2(NC(=O)CN3CC(=O)NC3=O)CCC[C@H]12 992339705 VDSWLDNKTISHQU-IINYFYTJSA-N 305.338 -0.825 30 20 DBED N#Cc1cc(C(=O)N2CC(NC(=O)[C@@H]3CC[C@@H]3C(N)=O)C2)c[nH]1 997403755 GKKNFIKPVGKMFX-NWDGAFQWSA-N 315.333 -0.662 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC(NC(=O)c2ccnnc2)C1 1000473561 JXNFHZLQAVDVCX-AWEZNQCLSA-N 313.361 -0.485 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC(CNC(=O)[C@@H]3COC(=O)N3)C2)c1 1001668724 HUOWJWCVIFTDRF-NSHDSACASA-N 317.305 -0.817 30 20 DBED N#CCN1CCC[C@@H](NC(=O)c2coc(S(N)(=O)=O)c2)C1 1007677148 FSIZRZXXTGUOHJ-SNVBAGLBSA-N 312.351 -0.355 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C(=O)c2nccnc2C(N)=O)CC1 1011119581 QYZHRXFQALDUCE-VIFPVBQESA-N 316.321 -0.980 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@]2(NC(=O)C(N)=O)CCC[C@@H]12 1014418225 AFURQSFOVOTYJS-JBBSTSQOSA-N 321.377 -0.297 30 20 DBED N#CCN1CCC2(CC1)C[C@H]2NC(=O)CN1CCCNC1=O 1016706007 CIZJGAYBPPHPTH-GFCCVEGCSA-N 305.382 -0.104 30 20 DBED CC#CCN1CCC2(CC1)C[C@@H]2NC(=O)CN1C(=O)CNC1=O 1016964378 JZCFMHZAUKVETD-LBPRGKRZSA-N 318.377 -0.468 30 20 DBED C#CCCN1C[C@H]2[C@H](NC(=O)[C@@H]3CN4CCC[C@@H]4CO3)[C@H]2C1 1025798855 LJWSKMZEIHHHIL-OWYFMNJBSA-N 303.406 -0.081 30 20 DBED C#CCN1CC[C@@H](CNC(=O)[C@@H]2CCc3nnc(O)n3C2)C1 1028640045 IGDIUAOVLWAVQW-NWDGAFQWSA-N 303.366 -0.383 30 20 DBED C=CCN1CC[C@@H](N2CC(CNC(=O)[C@@H]3CCC(=O)N3)C2)C1=O 1032137945 ZVNFCVOQXIYJQK-QWHCGFSZSA-N 320.393 -0.900 30 20 DBED C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCc2nnc(O)n2C1 1032484574 KMGVAPGYRWGJJW-AGIUHOORSA-N 315.377 -0.146 30 20 DBED CN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CCN([C@@H]2CCNC2=O)C1 1032988134 YXOLCCCBOHUVLO-DGCLKSJQSA-N 301.350 -0.079 30 20 DBED CC#CCN1CC2(CCN(C(=O)C3CC(=O)NC(=O)C3)CC2)C1 1035816500 HRBSPMMELRFESC-UHFFFAOYSA-N 317.389 -0.013 30 20 DBED C=CCN1CC[C@@H]2CN(C(=O)CN3CCN(C)C(=O)C3)CC[C@H]21 1036752685 DCMKYPBSULTOBX-HUUCEWRRSA-N 320.437 -0.131 30 20 DBED CC#CCN1CC[C@@H]2CN(C(=O)CN3C(=O)CNC3=O)CC[C@H]21 1036888007 BFPIUTBVKXBSNK-CHWSQXEVSA-N 318.377 -0.516 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2[C@H]3C[C@H]2N(Cc2nnnn2C)C3)c1 1037583240 WAIKAYJSSJDXPZ-GZBFAFLISA-N 323.360 -0.411 30 20 DBED N#Cc1ccc(C(=O)NC[C@@H]2CCN2CC(=O)NC2CC2)[nH]1 1038169802 PHZDUMQZBSKRNK-LBPRGKRZSA-N 301.350 -0.031 30 20 DBED CC(C)C#CC(=O)NC[C@]1(O)CCN(C(=O)CSCC#N)C1 1039663762 JCAWCSQCLJXGEU-OAHLLOKOSA-N 323.418 -0.018 30 20 DBED Cn1nccc1C(=O)N1CC[C@](O)(CNC(=O)C#CC2CC2)C1 1039677063 DDICOCPZEFXOND-INIZCTEOSA-N 316.361 -0.473 30 20 DBED Cn1cc(C(=O)N2CC[C@](O)(CNC(=O)C#CC3CC3)C2)cn1 1039678583 ZLEBDTPFQQPYCF-INIZCTEOSA-N 316.361 -0.473 30 20 DBED N#Cc1ccc(N2CCO[C@H]3CCN(C(=O)C(N)=O)C[C@@H]32)nc1 1040001871 WKAQXWQJMSGZHG-RYUDHWBXSA-N 315.333 -0.755 30 20 DBED O=C(NC[C@]1(O)CCN(C(=O)C#CC2CC2)C1)c1cnco1 1040385977 DVVYIHCDVLIBAX-OAHLLOKOSA-N 303.318 -0.219 30 20 DBED C#CCCCC(=O)N1CC[C@@](O)(CNC(=O)[C@H]2CCCN2C)C1 1040494204 BYVATZHCEZTQLF-RHSMWYFYSA-N 321.421 -0.036 30 20 DBED N#Cc1nccc(N2C[C@@H]3CCN(C(=O)CC(N)=O)[C@@H]3C2)n1 1040550277 UNTUOTHMLKWHLZ-VHSXEESVSA-N 300.322 -0.739 30 20 DBED Cc1ccn(CC(=O)N2CC[C@@](O)(CNC(=O)[C@@H](C)C#N)C2)n1 1040766933 UHVUCJNQSWOFNC-XHDPSFHLSA-N 319.365 -0.569 30 20 DBED N#CCN1CC[C@@H]2CCN(C(=O)c3nnc(O)nc3O)C[C@H]21 1042133581 KPPWXNVTGORSHY-RKDXNWHRSA-N 304.310 -0.657 30 20 DBED CO[C@@H](C(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1)C1CC1 1042841602 SVSYAUQMLQXMFA-CQSZACIVSA-N 306.362 -0.486 30 20 DBED C=C[C@](C)(CC)C(=O)N1CC(O)(CNC(=O)c2ncn(C)n2)C1 1042895440 JQLWMFFGBDLQCB-CQSZACIVSA-N 321.381 -0.280 30 20 DBED C#CCC1(C(=O)NCC2(O)CN(C(=O)c3cnon3)C2)CCC1 1043346815 CQXACJVXVRTISS-UHFFFAOYSA-N 318.333 -0.434 30 20 DBED C=C[C@H](CC)CC(=O)NCC1(O)CN(C(=O)Cc2nc[nH]n2)C1 1045064412 RBGFJMPNVMIOJL-LLVKDONJSA-N 321.381 -0.361 30 20 DBED Cc1conc1C(=O)NCC1(O)CN(C(=O)CSCC#N)C1 1046553246 SLMPUTVXBBUOTD-UHFFFAOYSA-N 324.362 -0.457 30 20 DBED CC(=O)Nc1ccc(C(=O)N(C)[C@H]2CN(CC#N)C[C@@H]2O)nc1 1047403655 KDNOYYPQJMOSNT-KBPBESRZSA-N 317.349 -0.319 30 20 DBED C=C1CC(C)(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)CC(=O)NC)C2)C1 1048733599 PJGLXZHXLYBDIA-RYUDHWBXSA-N 323.393 -0.491 30 20 DBED C#CCN1C[C@@H]2CCCN(C(=O)Cn3ccc(O)nc3=O)[C@@H]2C1 1050089921 VXSLGYIXWVLAON-QWHCGFSZSA-N 316.361 -0.495 30 20 DBED C[C@@H]1[C@@H](NC(=O)[C@@H]2CNC(=O)N2)CCN1c1ncccc1C#N 1050952179 LWBBXVUGJJJTKY-USWWRNFRSA-N 314.349 -0.282 30 20 DBED CC(=O)N1CCC[C@@H](C(=O)NC[C@H]2COCCN2CC#N)C1 1051008539 XREVDIPFOVLINN-KGLIPLIRSA-N 308.382 -0.415 30 20 DBED C#CCCN1CCOC[C@H]1CNC(=O)c1cn(C)c(=O)cn1 1051030586 BIMORPZXHZDLNH-GFCCVEGCSA-N 304.350 -0.766 30 20 DBED N#Cc1cccnc1N(CCO)C1CCN(C(=O)C(N)=O)CC1 1051506506 QFALYICNURUOJW-UHFFFAOYSA-N 317.349 -0.772 30 20 DBED N#Cc1cncc(N2CC[C@@H](NC(=O)c3cnon3)[C@H](O)C2)n1 1051718420 OPPQFNOGXDLDLL-MWLCHTKSSA-N 315.293 -0.899 30 20 DBED N#Cc1cnccc1N1CC[C@H](NC(=O)c2cnn[nH]2)[C@H](O)C1 1051805002 BINVCEHWERNFDT-GXFFZTMASA-N 313.321 -0.559 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](C)[C@@H](CNC(=O)COCC)C1 1052390757 HRJNSLOXOOSDNT-OLZOCXBDSA-N 323.393 -0.627 30 20 DBED CO[C@H]1COCC[C@@H]1CC(=O)N1CCOC2(CN(CC#N)C2)C1 1053284952 IBLOMMHRUUTQAA-KGLIPLIRSA-N 323.393 -0.135 30 20 DBED CN1C(=O)CC[C@H]1C(=O)NC[C@H]1CCC2(CN(CC#N)C2)O1 1053647040 LDICQWXLFIQHKJ-NEPJUHHUSA-N 306.366 -0.520 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)[C@H]3CCC(=O)NC3)CO2)C1 1053856058 ZZMUEYXQXXMQEF-STQMWFEESA-N 305.378 -0.505 30 20 DBED CC(=O)N1CC[C@H](C(=O)N[C@H]2COC3(C2)CN(CC#N)C3)C1 1053995177 ULGQXKVOLYENGQ-QWHCGFSZSA-N 306.366 -0.662 30 20 DBED CO[C@@H](C)C(=O)NCCN1CCC(NC(=O)[C@H](C)C#N)CC1 1055534245 FCBAAGBDZLXDGH-NEPJUHHUSA-N 310.398 -0.122 30 20 DBED N#Cc1nccc(N2CCN(C(=O)[C@H]3CCC(=O)NC3)CC2)n1 1056078999 JJFGXKDSCJEKIW-NSHDSACASA-N 314.349 -0.477 30 20 DBED C[C@@H](C#N)C(=O)N[C@]1(CO)CCCN(C(=O)Cc2cc[nH]n2)C1 1056092567 BLRIBEJNBABZSU-XHDPSFHLSA-N 319.365 -0.418 30 20 DBED C[C@H](C#N)C(=O)N[C@@]1(CO)CCCN(C(=O)c2ccnnc2)C1 1056096535 ITOYWIBDPRATPR-ABAIWWIYSA-N 317.349 -0.280 30 20 DBED CCCN(C)CC(=O)N1CCC[C@@](CO)(NC(=O)[C@H](C)C#N)C1 1056096837 KTEPJYZXFBIBBV-CZUORRHYSA-N 324.425 -0.042 30 20 DBED Cc1cc(N2C[C@H]3[C@H](NC(=O)c4nnn(C)n4)[C@H]3C2)c(C#N)cn1 1056372043 GOLGPVZTTCOKEU-PJXYFTJBSA-N 324.348 -0.350 30 20 DBED Cc1nccn1CC(=O)N1CC[C@@H](N=c2cc[nH]c(C#N)n2)C1 1056645159 HATCYRQILHPKBM-GFCCVEGCSA-N 311.349 -0.012 30 20 DBED CN(c1nccnc1C#N)[C@@H]1CCN(C(=O)C(C)(C)C(N)=O)C1 1056977967 STQYMRLZGSIUBC-SNVBAGLBSA-N 316.365 -0.103 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)c1cccn(C)c1=O 1057167644 WCHPPSRKHAYREQ-UHFFFAOYSA-N 321.377 -0.098 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)CNC(=O)OC 1057169738 HJBDKGHLIKKXHQ-UHFFFAOYSA-N 301.343 -0.754 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)Cc1cncnc1 1057453963 DAFHXUIXUMOXDT-UHFFFAOYSA-N 322.365 -0.841 30 20 DBED C=CC(C)(C)C(=O)NCCN(CCO)C(=O)[C@H](C)CC(N)=O 1058294919 VNZSQCNZZUYBMP-LLVKDONJSA-N 313.398 -0.353 30 20 DBED N#Cc1ccc(N2CC[C@H](NC(=O)Cn3cnnc3O)C2)cn1 1058320979 PPXDCWANXXUEQJ-NSHDSACASA-N 313.321 -0.355 30 20 DBED N#Cc1cncc(NC[C@@H]2CCN(C(=O)Cn3ncnn3)C2)n1 1060928324 WCIKOSZWINTETR-JTQLQIEISA-N 313.325 -0.705 30 20 DBED CCCC(=O)NCC(=O)NC[C@H]1COCCN1C(=O)[C@H](C)C#N 1061373930 SVDVINFZAGQODU-NEPJUHHUSA-N 324.381 -0.594 30 20 DBED N#Cc1cnc(N2CC[C@@H](CNC(=O)[C@H]3COCCO3)C2)cn1 1061525709 NYWOLFOAOPONHL-WCQYABFASA-N 317.349 -0.294 30 20 DBED C#CCNC(=O)CC(=O)NC1(CNC(=O)C(C)(F)F)CCC1 1062393768 TUYFBODXONOPIK-UHFFFAOYSA-N 315.320 -0.064 30 20 DBED C=CCOCC(=O)NCC1(NC(=O)c2cn(C)nn2)CCC1 1062703215 WUUXWRUYBMXDKG-UHFFFAOYSA-N 307.354 -0.214 30 20 DBED Cc1nc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)Cn2cnnn2)ccc1C#N 1064221590 WUVAVLZXPGICRX-XUJVJEKNSA-N 324.348 -0.358 30 20 DBED N#Cc1nccc(N2CC[C@H]3CCN(C(=O)CC(N)=O)C[C@H]32)n1 1064674580 ICZHYOJSTZWTMT-GHMZBOCLSA-N 314.349 -0.349 30 20 DBED Cn1ncc(C(=O)N[C@]2(C)CCN(c3ccnc(C#N)n3)C2)n1 1065264264 ZJCTWIXVDAFWBA-CQSZACIVSA-N 312.337 -0.124 30 20 DBED CN(CCCN(C)C(=O)CCn1cnnn1)C(=O)C#CC1CC1 1067376279 CLBOBGFIBLVXLH-UHFFFAOYSA-N 318.381 -0.217 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](CNC(=O)c3cccnn3)C2)cn1 1067677764 JMGHCTZCUHQBKT-IAQYHMDHSA-N 324.344 -0.030 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)N1CC2(C[C@H](NC(C)=O)CO2)C1 1068639936 HGPBQZZXGHFXLQ-KBPBESRZSA-N 323.393 -0.037 30 20 DBED C=CCCOCC(=O)N1CCC[C@@]2(CCN(C(=O)C(N)=O)C2)C1 1069760333 SGWUGYYBIDMWRG-MRXNPFEDSA-N 323.393 -0.095 30 20 DBED CN1CC[C@@H](C(=O)N[C@@H]2CN(CC#N)C[C@@H]2n2ccnn2)C1 1070096437 ZZBYNZSTCVPNEG-UPJWGTAASA-N 303.370 -0.905 30 20 DBED N#CCN1CCOC[C@@H]1c1n[nH]c(CNC(=O)c2cc[nH]n2)n1 1070580554 UCPWZIUEOVLVJD-SNVBAGLBSA-N 316.325 -0.645 30 20 DBED C=CCOCC(=O)N1C[C@@H](NC(=O)C2CN(C(C)=O)C2)[C@H](C)C1 1071808999 ONWRCFMZPNOLDB-BXUZGUMPSA-N 323.393 -0.370 30 20 DBED C#CCOCCC(=O)N1C[C@@H](NC(=O)CNC(=O)CC)[C@H](C)C1 1072096911 GBBBNCXWLQDDKT-CHWSQXEVSA-N 323.393 -0.484 30 20 DBED C#Cc1cncc(C(=O)N2CC3(CCN(CC(=O)NC)C3)C2)c1 1072968221 AKGYWHNOQDXLIK-UHFFFAOYSA-N 312.373 -0.043 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)Cc3cncn3C)C[C@@H]21 1074385172 RGLCYTOVABQTBU-LSDHHAIUSA-N 302.378 -0.103 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC[C@H](C)NC(=O)Cn1cncn1 1076306046 CVPYSAJVQNQDHP-SMDDNHRTSA-N 309.370 -0.384 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)Cn2cccc(C)c2=O)C1 1076990245 VGWARQWWVBJQCZ-ZIAGYGMSSA-N 305.378 -0.106 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2cn([C@@H](C)COC)nc2C)C1 1076996527 BMTAVYCEKNCVTM-NILFDRSVSA-N 320.393 -0.193 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)Cc2c(C)nn(C)c2C)C1 1077473953 QVZYBWNNFMGVEE-HUUCEWRRSA-N 304.394 -0.236 30 20 DBED C=CCCC(=O)N[C@@H](C)CCNC(=O)CNS(=O)(=O)NC 1077528449 PZGIVAPOOPFWJF-JTQLQIEISA-N 320.415 -0.983 30 20 DBED CC(=O)N1CCCC[C@H]1CC(=O)N[C@@H]1CN(CC#N)C[C@H]1O 1077825755 UHRPNPUQFWATMA-BFHYXJOUSA-N 308.382 -0.538 30 20 DBED C#Cc1ccccc1CC(=O)N[C@@H]1CN(CC(=O)NC)C[C@H]1O 1078082452 NBWPUMZKSORJSR-HUUCEWRRSA-N 315.373 -0.882 30 20 DBED CCN(C(=O)c1cc(C#N)c[nH]1)C1CN(C(=O)CNC(C)=O)C1 1079564972 BLKBQOVHSGHDIB-UHFFFAOYSA-N 317.349 -0.305 30 20 DBED C#CCOCCC(=O)N1CCC(CO)(NC(=O)C(F)F)CC1 1080658837 JPTJGBMFRKBKRQ-UHFFFAOYSA-N 318.320 -0.239 30 20 DBED C[C@@H](CC(N)=O)C(=O)N1CCC(CO)(NC(=O)[C@H](C)C#N)CC1 1080983279 JRUMYLZLIUTMGW-WDEREUQCSA-N 324.381 -0.873 30 20 DBED N#CCSCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cc[nH]n2)C1 1081286332 KDDAVTDYNNCLIU-KOLCDFICSA-N 323.378 -0.784 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2n[nH]cc2C)C1 1081466607 VWXIXLFBQNRQNI-NEPJUHHUSA-N 322.365 -0.530 30 20 DBED C=CCCOCC(=O)NC[C@@H]1CN(C(=O)CSC)C[C@@H]1O 1081566615 KBTZFHNSQSMPSA-NEPJUHHUSA-N 316.423 -0.122 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cn(C)ccc1=O 1083137986 AIKIIFKQCIELOC-GOEBONIOSA-N 315.373 -0.066 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)Cc1nonc1C 1083237011 HZCIGRNHWKUKIX-UONOGXRCSA-N 304.350 -0.145 30 20 DBED C=CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)Cn1c(O)nnc1O 1083258437 DZYSGPSJZLKOSH-WDEREUQCSA-N 323.353 -0.823 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)c2ccnn2CCOC)C1 1083553532 JBKICXMFDILXKE-OCCSQVGLSA-N 308.382 -0.120 30 20 DBED Cc1cc(C(=O)N[C@@H]2CN(CC#N)C[C@@H]2O)c2c(C)n[nH]c2n1 1083861603 UUNFPYCQGWEHFM-NEPJUHHUSA-N 314.349 -0.127 30 20 DBED N#CCN1C[C@H]2CC[C@H]1[C@H]1CN(C(=O)Cn3nccn3)C[C@H]21 1087361652 GQRLTBULRGLRNZ-MQYQWHSLSA-N 300.366 -0.030 30 20 DBED C=CCN1CC[C@@H](NC(=O)CN2C(=O)CC(C)(C)C2=O)[C@H](O)C1 1090269938 VBMNLQQQRAUVRJ-VXGBXAGGSA-N 323.393 -0.491 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2cnc3[nH]nnc3c2)[C@@H](O)C1 1090328016 WXVAPJRUNAFNKX-KOLCDFICSA-N 301.310 -0.959 30 20 DBED Cc1nc(C(=O)N[C@H]2CCN(CC#N)C[C@@H]2O)c(=O)[nH]c1C 1090356744 YCNLDSVWLWKTED-QWRGUYRKSA-N 305.338 -0.925 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2cccc(C(=O)NC)n2)[C@@H](O)C1 1090768034 PQSUQKAMZIYQOK-RISCZKNCSA-N 316.361 -0.761 30 20 DBED C#CCN1CCC(C(=O)N[C@@H]2CCN(CCOC)C[C@@H]2O)CC1 1090832157 YQKPNAQHDUFIGR-CVEARBPZSA-N 323.437 -0.471 30 20 DBED COCC[C@@H](C)C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1091108406 BVICBXJANBYZJS-UTUOFQBUSA-N 319.365 -0.313 30 20 DBED CS(=O)(=O)CC(=O)N[C@H]1[C@@H]2CN(c3ccc(C#N)nc3)C[C@@H]21 1093224596 AKEYKFJZXSZLEY-IMRBUKKESA-N 320.374 -0.451 30 20 DBED N#Cc1ccc(NCCNC(=O)C[C@@H]2CCC(=O)NC2)nn1 1093924316 KBFJSMUVBIZOGD-JTQLQIEISA-N 302.338 -0.207 30 20 DBED CC#CCN1CC(n2cc(CNC(=O)[C@@H]3CCCO3)nn2)C1 1094273222 MVJVCZDNHXIASJ-AWEZNQCLSA-N 303.366 -0.047 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)Cc3ccoc3)CC2=O)C1 1094731876 SKCRLZONXQQBDX-ZDUSSCGKSA-N 301.346 -0.143 30 20 DBED CC#CCN1CC(N2C[C@H](NC(=O)C3CC(OC)C3)CC2=O)C1 1094747380 QXGGBNKOHGPGJE-JVWICGRDSA-N 319.405 -0.164 30 20 DBED C[C@@H](CC(=O)N1CC[C@@H](Nc2cnc(C#N)cn2)C1)NC(N)=O 1095061863 NVIXKWHKTVNZNG-VHSXEESVSA-N 317.353 -0.192 30 20 DBED C[C@@H](CC(N)=O)C(=O)N1CCCN(c2ccnc(C#N)n2)CC1 1095201811 BWOGTQYPVVSZSK-NSHDSACASA-N 316.365 -0.102 30 20 DBED C=CCOCC(=O)NCCCN(C)c1nccn2nnnc12 1095492555 KPFNAQWFTIMNPK-UHFFFAOYSA-N 305.342 -0.336 30 20 DBED CCC(=O)N[C@H](C)C(=O)N[C@H]1CCN(c2cncc(C#N)n2)C1 1096496518 ZDBNAKPJPXLTSW-MNOVXSKESA-N 316.365 -0.042 30 20 DBED N#Cc1nccc(N2CCC3(CC2)C[C@H]3NC(=O)CC(N)=O)n1 1096508004 UJXMOXDHOCQUGQ-SNVBAGLBSA-N 314.349 -0.301 30 20 DBED CC(=O)N[C@@H](C)C(=O)N[C@H]1C[C@H](Nc2cncc(C#N)n2)C1 1096987762 XQTARBAUFCHTSI-LSJOCFKGSA-N 302.338 -0.068 30 20 DBED COC(=O)NCC(=O)NC[C@@H](C)N=c1cc(C)[nH]cc1C#N 1097693288 DXDMHLVUCKJASB-SNVBAGLBSA-N 305.338 -0.044 30 20 DBED CCc1nc(C#N)cc(N[C@@H](C)CNC(=O)CCNC(N)=O)n1 1097855159 HSDHECLAQZHSCP-VIFPVBQESA-N 319.369 -0.114 30 20 DBED C#CCN(CCO)C1CCN(C(=O)C[C@@H]2CCC(=O)N2C)CC1 1098446388 WSALABLJLYULEG-HNNXBMFYSA-N 321.421 -0.084 30 20 DBED N#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 1099057358 VKSLVMMCJRAPDJ-BHDSKKPTSA-N 305.338 -0.921 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@@H]2CN(C)CCO2)C[C@H]1C(F)(F)F 1099231258 ATOZXABHHKOEDO-UTUOFQBUSA-N 319.327 -0.071 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)c2n[nH]cc2C)[C@H](O)C1 1099813833 VISPJENKBOXUIX-VXGBXAGGSA-N 321.381 -0.815 30 20 DBED CCN(CC)C(=O)CN1CC[C@H](NC(=O)C#CC2CC2)[C@@H](O)C1 1099826017 FHAHBBGAVUSISQ-GJZGRUSLSA-N 321.421 -0.180 30 20 DBED C#CCC1(C(=O)N[C@H]2CCN(CC#N)C[C@@H]2O)CCOCC1 1099869942 XZUJGGZBHMXJDZ-KBPBESRZSA-N 305.378 -0.119 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1CCN(Cc2nc(O)n[nH]2)C[C@@H]1O 1099957273 NCYAYVDWURRKHD-ZJUUUORDSA-N 309.370 -0.226 30 20 DBED N#CCN1CC[C@H](NC(=O)CNC(=O)c2cccs2)[C@H](O)C1 1100096254 BUNJSVORACUNQK-WDEREUQCSA-N 322.390 -0.447 30 20 DBED CC(C)(C(N)=O)C(=O)NC[C@@H]1CCCN1c1cnc(C#N)cn1 1100877299 XHXSUWWPIQSCGW-NSHDSACASA-N 316.365 -0.055 30 20 DBED N#Cc1ccc(N(CCNC(=O)Cn2cnnn2)C2CC2)cn1 1101281574 VYAFBCAVEIQZNE-UHFFFAOYSA-N 312.337 -0.275 30 20 DBED C=C[C@@](C)(O)CC(=O)N(C)CCNc1nccn2nnnc12 1101586354 WTVGLOHZZZASRG-CYBMUJFWSA-N 305.342 -0.283 30 20 DBED C=C[C@](C)(O)CC(=O)N(C)CCNc1nccn2nnnc12 1101586355 WTVGLOHZZZASRG-ZDUSSCGKSA-N 305.342 -0.283 30 20 DBED CC#CCN1C[C@@H](C)[C@H](CNC(=O)C[C@H](NC(C)=O)C(N)=O)C1 1102438989 MEFKKMROXMGBBL-BNOWGMLFSA-N 322.409 -0.926 30 20 DBED COCCNCc1cn(C2CN(C(=O)C#CC3CC3)C2)nn1 1105233195 NGCRRXOWHPHGKF-UHFFFAOYSA-N 303.366 -0.189 30 20 DBED CN(CCN(C)c1ccc(C#N)nn1)C(=O)c1cnc(O)n1C 1105535797 XLBHGXJOHFHMFF-UHFFFAOYSA-N 315.337 -0.004 30 20 DBED Cc1ccc(C#N)c(NC[C@@H](O)CNC(=O)c2cnnn2C)n1 1105832483 DFYOJWWRBLXVMD-LLVKDONJSA-N 315.337 -0.407 30 20 DBED CN1CC[C@H](C(=O)NC[C@@H](O)CN=c2cc[nH]cc2C#N)C1 1105854135 UUMRFMNTBZFSDI-AAEUAGOBSA-N 303.366 -0.784 30 20 DBED C[C@H](CC(F)F)C(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1 1106024086 LFDWPAPIDCPDLJ-BDAKNGLRSA-N 313.308 -0.050 30 20 DBED Cc1nc(NC[C@H](O)CNC(=O)[C@@H](C)CC(N)=O)ccc1C#N 1106060508 WNALCQOWZQWUQI-CABZTGNLSA-N 319.365 -0.338 30 20 DBED N#Cc1nccnc1NC/C=C\CNC(=O)[C@H]1CCNC(=O)C1 1107121857 FTBFRMNKCXCMFA-BVBSBALXSA-N 314.349 -0.041 30 20 DBED CN1CC[C@@H](C(=O)NC/C=C\CNc2cncc(C#N)n2)C1=O 1107459872 JIGVXCCKKVJYKC-DLGQBQFBSA-N 314.349 -0.089 30 20 DBED COCC(=O)N[C@@H](C)C(=O)N[C@H](C)CNc1cncc(C#N)n1 1108174278 QTWKTMJXQRGINO-ZJUUUORDSA-N 320.353 -0.584 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)Cn2ccccc2=O)C1 1108388490 BGMQLLQXOZOXSG-INIZCTEOSA-N 303.362 -0.311 30 20 DBED C=C(C)CCN1CC(N2C[C@@H](NC(=O)CNC(C)=O)CC2=O)C1 1108498182 BHSYPPLVBDWXLV-ZDUSSCGKSA-N 322.409 -0.510 30 20 DBED CC(C)COCCC(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1 1108513310 GTWULSSWNBOVHY-ZDUSSCGKSA-N 322.409 -0.026 30 20 DBED CCOCCCC(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1 1108513396 JGWFZQNLOBXQMD-LBPRGKRZSA-N 308.382 -0.272 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)CCc3cn[nH]c3)CC2=O)C1 1108580614 PIMJCPAHETTWQY-CYBMUJFWSA-N 317.393 -0.070 30 20 DBED C[C@@H](CN=c1cc[nH]cc1C#N)NC(=O)[C@H]1CN(C)C(=O)N1 1108634923 BHFNGYGHITVQEB-JOYOIKCWSA-N 302.338 -0.685 30 20 DBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H](C)NC(N)=O 1109188239 GQDKJYPYCRKRDC-USZNOCQGSA-N 323.397 -0.933 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1[C@H]2C[C@H]1N(c1cc(C)ncn1)C2 1109704580 XAJMBPQYDYFWJX-OZVIIMIRSA-N 313.361 -0.382 30 20 DBED N#Cc1nccnc1NC[C@@H](NC(=O)Cn1ncnn1)C1CC1 1109916975 CTCMUXHNWHGTRP-LLVKDONJSA-N 313.325 -0.658 30 20 DBED CCC(=O)NCC(=O)NCC1(Nc2cncc(C#N)n2)CC1 1110086956 WYFOCKWPHJFUHY-UHFFFAOYSA-N 302.338 -0.065 30 20 DBED C=C[C@](C)(O)CC(=O)N(C)[C@H]1CN(c2cnc(F)cn2)C[C@@H]1O 1111179835 AEMWRXJCMIJPIC-PGUXBMHVSA-N 324.356 -0.049 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)Cc2cc[nH]n2)CC1 1112738783 OUNTVUFXVGMULB-LBPRGKRZSA-N 303.366 -0.766 30 20 DBED CNC(=O)NC(=O)CN1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 1112772738 IHUAXECHQKBLEU-UHFFFAOYSA-N 318.337 -0.900 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)Cc2ccnn2C)CC1 1112799516 LOPCIYXZISLNGX-ZDUSSCGKSA-N 319.409 -0.203 30 20 DBED COCC#CCN1CCN(C(=O)c2cc(=O)n(C)cn2)CC1 1112978869 WFDUVRLAOMSSNN-UHFFFAOYSA-N 304.350 -0.812 30 20 DBED Cc1nc(C)c(C(=O)N2CCN(CC(=O)NCC#N)CC2)[nH]1 1113353580 LJCGNQIBMXCMCT-UHFFFAOYSA-N 304.354 -0.576 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)Cc2cscn2)CC1 1113408998 OSCUQJHBSZGFCF-GFCCVEGCSA-N 320.418 -0.032 30 20 DBED CC(=O)N(C)CC(=O)NC[C@H](C)N(C)c1cnc(C#N)cn1 1113498432 RRYNNWIZCSTTLL-JTQLQIEISA-N 304.354 -0.233 30 20 DBED C[C@@H](CNC(=O)COCCN(C)C)N(C)c1ccnc(C#N)n1 1113659328 SMMWRZZPJRKHFK-LBPRGKRZSA-N 320.397 -0.133 30 20 DBED C[C@@H](CNC(=O)COCCN(C)C)N(C)c1nccnc1C#N 1113659554 XOHHFLVOKBVKRY-LBPRGKRZSA-N 320.397 -0.133 30 20 DBED N#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)Cc3cccs3)[C@H]2C1 1113777156 GFYRBTYMGHFXKI-JYAVWHMHSA-N 318.402 -0.023 30 20 DBED CCSCCC(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1113942326 LZZKJIVDMNOZSX-YABSGUDNSA-N 310.423 -0.184 30 20 DBED CCCC(=O)NCC(=O)N[C@H]1[C@@H]2CN(CC#CCOC)C[C@@H]21 1113967813 BPCZEXBJBQFTTA-VIKVFOODSA-N 307.394 -0.401 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1[C@@H]2CN(Cc3ccns3)C[C@@H]21 1114159968 OOTMNADMFHEUFH-JYAVWHMHSA-N 318.402 -0.171 30 20 DBED CC(=O)NCC(=O)N1C[C@H]2CC[C@H]1CN2c1cncc(C#N)n1 1114379117 DYLXZWGTYKUVES-OLZOCXBDSA-N 314.349 -0.336 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)C3(COC)CC3)[C@H]2C1 1114567747 CAFZLAYKFQFOPB-AVGNSLFASA-N 319.405 -0.403 30 20 DBED CC#CCN1C[C@H]2[C@H](NC(=O)CCn3cnccc3=O)[C@H]2C1 1115043997 LKKGIMRXVVAJLY-VIKVFOODSA-N 300.362 -0.297 30 20 DBED CN(CCOCCNC(=O)c1cnn[nH]1)c1ccc(C#N)cn1 1115268713 DOCWCPTVQWFIDM-UHFFFAOYSA-N 315.337 -0.046 30 20 DBED C[C@@H](CN(C)C(=O)CCNC(N)=O)N=c1cc[nH]c(C#N)n1 1115727403 LFGFANDDJIWGJM-VIFPVBQESA-N 305.342 -0.913 30 20 DBED N#CCNC1(CNC(=O)[C@@H]2CC(=O)NC(=O)N2)CCCCC1 1115750820 BDPUUOSCIPLKKA-JTQLQIEISA-N 307.354 -0.483 30 20 DBED C[C@@H](CN(C)C(=O)Cn1nccn1)Nc1ccc(C#N)nn1 1120198590 BHWSVBNSLGHCHZ-JTQLQIEISA-N 300.326 -0.101 30 20 DBED Cc1cc(C(=O)NC[C@H](CO)Nc2nccnc2C#N)nn1C 1121149531 ANONSUOFQAIINP-SNVBAGLBSA-N 315.337 -0.407 30 20 DBED CCC(=O)NCC(=O)NC[C@@H](CO)Nc1nc(C)cc(C#N)n1 1121239859 DXYJMILKTWAKLC-NSHDSACASA-N 320.353 -0.928 30 20 DBED N#Cc1cnc(N[C@H](CO)CNC(=O)Cc2cncnc2)cn1 1121413028 YHTLQBLLDYVFAF-LBPRGKRZSA-N 313.321 -0.730 30 20 DBED Cc1cc(C#N)nc(N[C@@H](CO)CNC(=O)CC(C)(C)O)n1 1121504600 HBMCRWPYCZSXSD-LLVKDONJSA-N 307.354 -0.293 30 20 DBED N#Cc1c(F)cccc1N[C@H](CO)CNC(=O)Cn1cncn1 1121536371 PHGYRGDAQRRHKF-JTQLQIEISA-N 318.312 -0.122 30 20 DBED N#Cc1cccnc1N[C@@H](CO)CNC(=O)C(=O)NCC1CC1 1121929350 SAAAHIMBNBCPMH-GFCCVEGCSA-N 317.349 -0.632 30 20 DBED CN1CCCC[C@H]1C(=O)NC[C@H](CO)Nc1nccnc1C#N 1122342679 QXUBMQCDSANIOJ-YPMHNXCESA-N 318.381 -0.278 30 20 DBED CO[C@@H](C(=O)NC[C@H](CO)Nc1cnc(C#N)cn1)C(C)C 1122445362 QAPYOWWGYMHIFP-DGCLKSJQSA-N 307.354 -0.092 30 20 DBED C=CCn1cc(C(=O)NC[C@@H](CO)Nc2cc(C)ncn2)nn1 1122635028 GQOLLIDBEMGKMH-NSHDSACASA-N 317.353 -0.235 30 20 DBED Cc1n[nH]cc1C(=O)N(C)C[C@@H](O)CNc1cncc(C#N)n1 1124628132 OFGBDZNTDBKICA-NSHDSACASA-N 315.337 -0.075 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCNC[C@@H](C)CS(C)(=O)=O 1126382760 BKENOSFODGJYII-DGCLKSJQSA-N 306.428 -0.300 30 20 DBED CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)C#CC(C)(C)C 1126893686 TWDDYESOESADRI-LLVKDONJSA-N 310.398 -0.024 30 20 DBED CCCC(=O)NCC(=O)NCc1cnn2c1CN(CC#N)CC2 1128245504 RUXXQDFENPKMEM-UHFFFAOYSA-N 318.381 -0.245 30 20 DBED C[C@@](O)(CC(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1)C1CC1 1128897795 OJIOVXDASHAZFD-VNHYZAJKSA-N 318.381 -0.306 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)Cc1cc(C2CC2)no1 1129256752 SUZDAEBPRYORFK-LLVKDONJSA-N 318.377 -0.062 30 20 DBED CC#CCN[C@@H]1CN(C(=O)[C@@H]2CCCO2)C[C@@H]1n1ccnn1 1129552878 HDCAQCLSDXEOIP-RDBSUJKOSA-N 303.366 -0.178 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1cccn2nccc12 1130823416 ZTJPZRVFGCBGCA-GFCCVEGCSA-N 313.361 -0.208 30 20 DBED Cc1[nH]nc(C(=O)N[C@@H](C)C[C@@H](C)NCC(=O)NCC#N)c1O 1134094538 FYSLLQLMTVVOPA-BDAKNGLRSA-N 322.369 -0.450 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)C[C@@H](C)NCC(=O)N(C)CC 1134131023 PMUBXNDIUSBHKS-OLZOCXBDSA-N 324.425 -0.523 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@H](C)Cc1c(C)noc1C 1134926199 ZUVRWKIGPZUMMV-LLVKDONJSA-N 320.393 -0.075 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)Cn1ccnc1)NCC(=O)NCC#N 1146780660 YKSOHXJMRLLFIO-NWDGAFQWSA-N 306.370 -0.604 30 20 DBED C=CCCN1CCCO[C@H](CNC(=O)CN2CCNC(=O)C2)C1 1150078572 LYRVEOUDIQRWSW-CQSZACIVSA-N 324.425 -0.799 30 20 DBED C=CCO[C@H](C)C(=O)NCCNCc1nnc2n1CCOC2 1153135044 MCEPLEQWMBZDFK-LLVKDONJSA-N 309.370 -0.395 30 20 DBED C#CCC1(C(=O)NCCCNCC(=O)NC(=O)NC)CCC1 1159638011 FKLXPLOPDJUUMY-UHFFFAOYSA-N 308.382 -0.269 30 20 DBED C=CCNCC1(CCNC(=O)CN(C)S(C)(=O)=O)CC1 1165315923 UYXMMJWZLMKEIE-UHFFFAOYSA-N 303.428 -0.060 30 20 DBED N#Cc1ccccc1CNCCCNC(=O)[C@@H]1CNC(=O)N1 1165467646 NXPRTWGIHXHGFT-ZDUSSCGKSA-N 301.350 -0.164 30 20 DBED C#CCNC(=O)CNCCCNC(=O)C(C)(C)c1cnn(C)c1 1169775577 RBGQBASEQAAQAQ-UHFFFAOYSA-N 319.409 -0.457 30 20 DBED C#CCCNCCCC[C@H](C)NC(=O)Cn1cnc(C(N)=O)n1 1170879436 XIZJWHGKKKQOJJ-LBPRGKRZSA-N 320.397 -0.335 30 20 DBED C#CCCN1CCO[C@@H]2CCN(C(=O)CNC(=O)NC)C[C@@H]21 1177025792 UPDMIRWWPJWOHL-QWHCGFSZSA-N 308.382 -0.760 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)c2nccnc2N)[C@H]1C 1178371007 IBSWMPGMYQBRMM-QWRGUYRKSA-N 318.381 -0.446 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)Cc2nc[nH]n2)[C@H]1C 1179895340 NGXCCLOLBPOPEH-WOPDTQHZSA-N 318.381 -0.936 30 20 DBED C#CCNC(=O)CNC[C@]1(C)CN(C(=O)[C@H]2CCCO2)C[C@H]1C 1180496383 RGWIXWBTPAGBCB-CKEIUWERSA-N 321.421 -0.011 30 20 DBED N#CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CCC2(F)F)C1 1183527213 VORDMPUNZXCMIF-NXEZZACHSA-N 300.309 -0.138 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)C(C)(C)COC)C1 1184259173 WTCNFKFFKXUOOL-QWHCGFSZSA-N 309.410 -0.013 30 20 DBED COCC#CCN1C[C@@H]2CCN(C(=O)c3cc(=O)n(C)o3)[C@@H]2C1 1187675810 ZFNLZYSYXVTKLW-QWHCGFSZSA-N 319.361 -0.226 30 20 DBED C=CCOCCN[C@@H]1CCN(C(=O)CN2C(=O)CCC2=O)C1 1187692028 KIXKDYWMCOTKRO-GFCCVEGCSA-N 309.366 -0.472 30 20 DBED CCC(=O)N[C@H](C)C(=O)N1CC[C@H](N(C)CC(=O)NCC#N)C1 1190309575 YVCYXNGWEOVZNU-NEPJUHHUSA-N 323.397 -0.926 30 20 DBED CCC(=O)N[C@@H](C)C(=O)N1CC[C@@H](N(C)CC(=O)NCC#N)C1 1190309576 YVCYXNGWEOVZNU-NWDGAFQWSA-N 323.397 -0.926 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CN(Cc2ncnn2C(C)(C)C)C[C@H]1O 1191854267 KLPFAGJBCKFORK-QJPTWQEYSA-N 320.397 -0.146 30 20 DBED Cc1ncc(C(=O)N2CC[C@@H](N(C)CC(=O)NCC#N)C2)n1C 1191959104 MWKIOAUAHXEIOO-GFCCVEGCSA-N 318.381 -0.485 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CN(CC(=O)N2CCCC2)C[C@H]1O 1192770940 VBHMIRZVZDVYPM-ZIAGYGMSSA-N 305.378 -0.817 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)CCCN2C(=O)CCC2=O)C1 1193520580 RIXMWCPXEDOBNV-VXGBXAGGSA-N 309.366 -0.737 30 20 DBED C=CCCN(C)[C@@H]1CCN(C(=O)CS(=O)(=O)N(C)C)C1 1193786364 HIKRLCHGHPYQGX-GFCCVEGCSA-N 303.428 -0.013 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)CNC(=O)c2ccsc2)C1 1198799737 PPSOWSXOXRLGQD-CHWSQXEVSA-N 321.402 -0.338 30 20 DBED C=CCCNC1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)CC1 1200886667 AHIWBTJECXSHER-UHFFFAOYSA-N 320.393 -0.296 30 20 DBED C=CCNC(=O)CNCC1CCN(C(=O)[C@H](C)CC(N)=O)CC1 1205871789 ARWAUJNAPVKDQW-GFCCVEGCSA-N 324.425 -0.372 30 20 DBED CCn1ccnc1C(=O)N1CCC[C@H](NCC(=O)NCC#N)C1 1207919501 CAVYMGZWRGFPQT-LBPRGKRZSA-N 318.381 -0.263 30 20 DBED C=CCOCCN[C@@H]1CCCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 1208353062 WKSYOEMFIZWNAG-NEPJUHHUSA-N 324.381 -0.632 30 20 DBED C=C(C)CN[C@@H]1CCCN(C(=O)CNC(=O)CNC(C)=O)C1 1208439079 NQGYRTDKGKOQRJ-CYBMUJFWSA-N 310.398 -0.605 30 20 DBED COCC#CCN1C[C@@H](NC(=O)c2cnn(C)c2)[C@H](OC)C1 1211825646 SWIGMVIGAHRCBP-ZIAGYGMSSA-N 306.366 -0.501 30 20 DBED C[C@H](C(N)=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)CSCC#N 1217331193 LOIXGVVXKVVCPT-OUAUKWLOSA-N 312.395 -0.971 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2nnc(C)o2)C[C@@H]1O 1219613223 BIVGWMWDJVHTOZ-NEPJUHHUSA-N 308.338 -0.921 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)c2cnoc2C2CC2)C1 1220670214 BXYWGKWUGREWEL-KGLIPLIRSA-N 319.361 -0.023 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@@](C)(NC(C)=O)C(C)C)C1 1221129485 GWYODMWIEXWERO-YCPHGPKFSA-N 309.410 -0.278 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)[C@@H](CC)OC)[C@@H]2C1 1221417412 QLVZBNYIGZKDKC-MGPQQGTHSA-N 307.394 -0.307 30 20 DBED Cc1nc(C(=O)N2C[C@H]3CCN(CC(=O)NCC#N)C[C@H]32)co1 1221504851 QPZCNUKLRQXPSP-DGCLKSJQSA-N 317.349 -0.231 30 20 DBED C#CCO[C@H](C)C(=O)NCC1CCN(CC(=O)NCC#N)CC1 1223174461 HNXUFLGAWDTEMT-CYBMUJFWSA-N 320.393 -0.507 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@]12COC[C@@H]1C2 1226340317 ARXUBBSVVBHVRV-CFAJVAMVSA-N 319.405 -0.211 30 20 DBED C=C[C@](C)(O)CC(=O)NC1CCN(CC(=O)NC(N)=O)CC1 1227124802 ZMFIDCGTZPSPJD-AWEZNQCLSA-N 312.370 -0.911 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)c1cc(C)on1 1230681739 MZTZCXNAWZTOFS-LBPRGKRZSA-N 304.350 -0.121 30 20 DBED C=CCN1CC[C@@H](N(C)CCCNC(=O)[C@H](C)NC(C)=O)C1=O 1233580687 RAQDHPVWXNMPRH-GXTWGEPZSA-N 324.425 -0.264 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)CCCNC(=O)[C@H](C)NC(C)=O 1233590547 YVTVAAHIBLNVBN-NWDGAFQWSA-N 310.398 -0.913 30 20 DBED CCC(=O)N[C@H](C)C(=O)N(C)C[C@@H]1CCN1CC(=O)NCC#N 1234489696 MOJDMJZFFMBENA-NEPJUHHUSA-N 323.397 -0.926 30 20 DBED COCC#CC(=O)N1CCN(C(=O)N2CCN(C)CC2)CC1 1262154229 AAQZFMVOVMKNAK-UHFFFAOYSA-N 308.382 -0.852 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2ccc(=O)n(C)n2)C1 1266359521 XXRRGOUEDMOHSZ-GFCCVEGCSA-N 304.350 -0.766 30 20 DBED COC[C@H](NC(=O)C(=O)N1CCO[C@@H](C#N)C1)[C@H]1CCCO1 1323878874 VCTYJIGGZXWCFL-SDDRHHMPSA-N 311.338 -0.952 30 20 DBED N#C[C@]1(F)CCN(C(=O)C(=O)N2CCCC3(C2)OCCO3)C1 1324942526 SNDYRYIXFMOVQX-CYBMUJFWSA-N 311.313 -0.184 30 20 DBED N#Cc1ccc(NC(=O)C(=O)N2CC[C@H](n3cncn3)C2)nc1 1324965870 UKPUKOLJGYBBKO-NSHDSACASA-N 311.305 -0.043 30 20 DBED CCCN1CCCN(C(=O)C(=O)N2CC[C@@](F)(C#N)C2)CC1=O 1325395448 RGSZHKOADWYOBH-OAHLLOKOSA-N 324.356 -0.079 30 20 DBED C[C@@H]1C[C@H](CNC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)CCO1 1326125100 BZZPIYWDFQOMCC-JMSVASOKSA-N 309.366 -0.205 30 20 DBED C=CCn1cc(CNC(=O)C(=O)NC2COC(C)(C)OC2)nn1 1326238440 KYCHCUBQHJXTIS-UHFFFAOYSA-N 323.353 -0.652 30 20 DBED COCCNC(=O)CNC(=O)C(=O)Nc1cc(C)c(C#N)cn1 1326743256 HPBLNYNKTWOGRU-UHFFFAOYSA-N 319.321 -0.921 30 20 DBED C[C@@H]1CN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)CC[C@H]1N 1329945550 GQPGULFBKHWAPV-MRVWCRGKSA-N 319.409 -0.619 30 20 DBED CCCN(CC(N)=O)C(=O)CCN/C(O)=C1\N=CC=CC1=O 1330460055 UCTWUOJWYZOPOZ-BUHFOSPRSA-N 308.338 -0.373 30 20 DBED CC[C@H]1CN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CCO1 1332038047 SBYVSWOVLRQBRK-KBPBESRZSA-N 320.393 -0.177 30 20 DBED C#CCN(C(=O)C(=O)NCCS(=O)(=O)CC1CC1)C(C)C 1333527980 LZIOZWALAXNPIC-UHFFFAOYSA-N 314.407 -0.202 30 20 DBED C[C@H](NC(=O)C(=O)N1CCC[C@@H](C#N)C1)[C@@H]1CN(C)CCO1 1333530841 ZWKNUDRFSWZJIB-AVGNSLFASA-N 308.382 -0.416 30 20 DBED NC(=O)CNC(=S)NN=Cc1cn(Cc2cccnc2)nn1 1342193887 CKAPZVUJZJMLNW-UHFFFAOYSA-N 318.366 -0.995 30 20 DBED C=C(C)COCCNC(=O)C(=O)N[C@H]1CCN(C(=O)CC)C1 1342802150 SMPIABMCAXEIEY-LBPRGKRZSA-N 311.382 -0.178 30 20 DBED C=CCOCCNC(=O)C(=O)NCc1cccn(CC)c1=O 1347346236 RMRBDEWZJFWKJP-UHFFFAOYSA-N 307.350 -0.197 30 20 DBED C=CCCO[C@H](C)C(=O)N(C)Cc1nnc2n1CCNC2=O 1349224537 XPFSMBIDLOQCTM-SNVBAGLBSA-N 307.354 -0.039 30 20 DBED C#CC1CCN(C(=O)C(=O)N2CCC3(CC2)CNC(=O)C3)CC1 1349335186 DFJDZMQWKUWHFQ-UHFFFAOYSA-N 317.389 -0.013 30 20 DBED C#CCn1ccc(CN(CC)C(=O)C(=O)NCC[C@H](C)N)n1 1349808408 NGCYIYHPRPCQHH-LBPRGKRZSA-N 305.382 -0.282 30 20 DBED C#Cc1cccc(NC(=O)CNC(=O)[C@@H]2CSCC(=O)N2)c1 1351398014 BYEFHPYKJJVSCV-LBPRGKRZSA-N 317.370 -0.046 30 20 DBED N#Cc1cnn2c(O)cc(CN3CCC(CO)(CO)CC3)nc12 1364806370 HCGDMCCHTGFDEH-UHFFFAOYSA-N 317.349 -0.127 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)CCCn2cccn2)C1 1371455566 SPASISYLSJPIIY-YNEHKIRRSA-N 319.365 -0.489 30 20 DBED C[C@@H](CNC(=O)[C@H](C)C#N)NC(=O)Cc1nnn(C(C)(C)C)n1 1386456412 KHDASKKRUDOOQV-ZJUUUORDSA-N 321.385 -0.249 30 20 DBED CC(C)CS(=O)(=O)CC(=O)N[C@H](C)CNC(=O)[C@H](C)C#N 1387084653 HTWKPBCDFKNABE-GHMZBOCLSA-N 317.411 -0.162 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]1CNC(=O)CCS(C)(=O)=O 1389685430 AUGLZALRHJGUGA-NXEZZACHSA-N 301.368 -0.702 30 20 DBED C=C(Cl)CN1CC[C@H]1CNC(=O)C[C@H](NC(C)=O)C(N)=O 1392870877 VPLVUJQTKWHTPK-QWRGUYRKSA-N 316.789 -0.691 30 20 DBED CCN1CCOC[C@H]1C(=O)NCCN(C(=O)[C@@H](C)C#N)C1CC1 1408925427 RQCZXHHHLYZEEK-JSGCOSHPSA-N 322.409 -0.026 30 20 DBED C=C(Br)CNC[C@H](O)CNC(=O)C1=COCCO1 1422275411 MAIIINLQPHGPAO-VIFPVBQESA-N 321.171 -0.150 30 20 DBED Cn1cc([C@@H]2C[C@H](NC(=O)Cn3cnc(C#N)n3)CCO2)cn1 1434029332 HMURPBGOOQPWPI-NEPJUHHUSA-N 315.337 -0.080 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]1CNC(=O)CN1CCCNC1=O 1453186146 BVBSVHNNKGAXEI-GHMZBOCLSA-N 307.354 -0.722 30 20 DBED CNC(=O)NCCC(=O)N[C@@]1(C)CCN(C(=O)[C@@H](C)C#N)C1 1453841670 AVXNPBARSXTOPP-HZMBPMFUSA-N 309.370 -0.428 30 20 DBED CN1CCCC[C@H]1CNC(=O)Cn1cc(C#N)c(O)nc1=O 1472246088 RISAAERGMVNELI-NSHDSACASA-N 305.338 -0.579 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2cc(Cl)no2)C1 1480623856 SGYFZVAUDXPMCT-VIFPVBQESA-N 310.741 -0.119 30 20 DBED CNC(=O)NCCC(=O)N1CC[C@H](CNC(=O)[C@@H](C)C#N)C1 1495183635 CZPDSQRAXQCPRX-WDEREUQCSA-N 309.370 -0.570 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)CCc1cccnc1 1501567360 GXEGGOUENPHQES-YPMHNXCESA-N 304.350 -0.233 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C(=O)[C@H]1CCC(=O)N1C)C1CC1 1529854684 WOIJXXNKANOBBC-CMPLNLGQSA-N 306.366 -0.126 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCC2(CN(C(=O)CNC(=O)O)C2)C1 1573368084 HXELBKADIWFETO-LLVKDONJSA-N 324.381 -0.521 30 20 DBED CCN(CCC#N)S(=O)(=O)N[C@@H]1CN(C(=O)O)C[C@@H]1CO 1573770867 CRZQTZHMEBLWAQ-NXEZZACHSA-N 320.371 -0.973 30 20 DBED C[C@H](CNC(=O)[C@H](C)C#N)CNc1cncc(-c2nn[nH]n2)n1 1574835452 HFKWLLSOYQZBPF-DTWKUNHWSA-N 315.341 -0.019 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)CCOCc2cnn[nH]2)C1 1576952745 JXSVIAWODUFETH-CYBMUJFWSA-N 321.381 -0.448 30 20 DBED C#CC[C@H](CO)NC(=O)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 1588332165 WKPQXLIETHNZGO-NEPJUHHUSA-N 301.306 -0.600 30 20 DBED C=CCn1cc(CNC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O)nn1 1588909548 XZGCUZRTGIYLOL-IUCAKERBSA-N 324.341 -0.759 30 20 DBED N#Cc1nc(N)n(C[C@@H]2CC3(CC3)C(=O)O2)c1-c1nn[nH]n1 1592706074 NBQIJCJDQFIXOL-LURJTMIESA-N 300.282 -0.387 30 20 DBED N#Cc1ccc(CNS(=O)(=O)c2cnn(CC(=O)O)c2)nc1 1601102091 ZFSHFRUEYLUXTD-UHFFFAOYSA-N 321.318 -0.287 30 20 DBED C=CC[C@H](CO)CNS(=O)(=O)c1n[nH]c(C)c1C(=O)O 1602841949 AYKSBVLAVNDJNG-QMMMGPOBSA-N 303.340 -0.121 30 20 DBED C=CCOC[C@@H](NC(=O)Cn1c([N+](=O)[O-])cnc1C)C(=O)O 1602908781 FRHFPHLWLVEQBN-SECBINFHSA-N 312.282 -0.128 30 20 DBED C=C[C@@H]1OCC[C@H]1Cn1nnnc1N1CC[C@](OC)(C(=O)O)C1 1602942245 XJEMBYJRMHCCQD-COPLHBTASA-N 323.353 -0.056 30 20 DBED Cn1ccc([C@H](NS(=O)(=O)c2ccc(C#N)nc2)C(=O)O)n1 1608126473 JRCUJVBHXFCRKO-NSHDSACASA-N 321.318 -0.209 30 20 DBED CC[C@@H](C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[nH]1)C(=O)OC 1609182299 YGVLYXUTDMCJHV-YFKPBYRVSA-N 304.270 -0.401 30 20 DBED C#CCNC(=O)CN(C)CCCNC(=O)c1cc(C)nnc1C 1751981479 ZSGLSUQZKVFKLG-UHFFFAOYSA-N 317.393 -0.105 30 20 DBED C#CCNC(=O)CN[C@@H](CNC(=O)c1cc(CC)[nH]n1)C1CC1 1752449111 GLUZRXRFKPPEOZ-AWEZNQCLSA-N 317.393 -0.181 30 20 DBED C#CCNC(=O)CNC[C@H]1CCCN(C(=O)[C@@H]2CCN(C)C2)C1 1752812146 IHVGMWSAONRQCV-HUUCEWRRSA-N 320.437 -0.484 30 20 DBED C=CCN1CC[C@H](NCCN(C)C(=O)Cc2ccn(C)n2)C1=O 1753188239 OCNXDZAPHHDBDX-AWEZNQCLSA-N 319.409 -0.203 30 20 DBED C=CCN(CC=C)C(=O)CN1CC(NC(=O)c2nonc2C)C1 1753395138 YYVBACWTOLIBNY-UHFFFAOYSA-N 319.365 -0.007 30 20 DBED C#CCNC(=O)CN1CC(CNC(=O)Cc2c(C)n[nH]c2C)C1 1753414843 JGGPMJJUXKXPCR-UHFFFAOYSA-N 317.393 -0.634 30 20 DBED COCC#CCN1C[C@@H]2C[C@H]1CN2C(=O)C1CN(C(C)=O)C1 1753420381 VECBAYGICIATHA-GJZGRUSLSA-N 305.378 -0.600 30 20 DBED C=CCN(CC=C)C(=O)CN1CC[C@@H](N(C)C(=O)CC(N)=O)C1 1753432730 VBQHGVWEOMLUGR-CYBMUJFWSA-N 322.409 -0.405 30 20 DBED N#CCSCC(=O)N[C@@H]1[C@H]2C[C@H]1N(CCN1CCNC1=O)C2 1754420559 MGYXSMLUQYXPBT-DMDPSCGWSA-N 323.422 -0.543 30 20 DBED COc1ccc(C(=O)NC[C@H]2CCN2CC(=O)NCC#N)o1 1754497460 NBXAJYHPTJBEJR-SNVBAGLBSA-N 306.322 -0.268 30 20 DBED CNS(=O)(=O)CCC(=O)N1[C@H]2CC[C@H]1CN(CC#N)CC2 1754542958 LTLVSBSTUPLQNV-RYUDHWBXSA-N 314.411 -0.485 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@@H]1CCCN1C(=O)CCN(C)C 1754616579 IVIJSXHDCJINQT-KBPBESRZSA-N 308.426 -0.343 30 20 DBED C=CCN1CC[C@@](O)(CNC(=O)c2ccnc3[nH]nnc23)C1 1754752784 PSPBIVKALVUPBU-CQSZACIVSA-N 302.338 -0.295 30 20 DBED Cc1nc2ccnn2cc1C(=O)NC[C@@]1(O)CCN(CC#N)C1 1754761375 XKCOEHIOBHJAJK-HNNXBMFYSA-N 314.349 -0.272 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@@H](CCNCC(=O)NCC)C1 1754915637 XUOGATMHEDWTMY-UONOGXRCSA-N 309.410 -0.011 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)c2cnon2)C[C@@H]1C 1755167268 METJFORLEBLJNX-QWRGUYRKSA-N 307.354 -0.046 30 20 DBED CC(C)C(=O)N1CCC2(CC1)CN(CC(=O)NCC#N)CCO2 1755174928 ZWWIJCVIWSOOIJ-UHFFFAOYSA-N 322.409 -0.024 30 20 DBED CN(CC(C)(C)CNCC#N)C(=O)[C@H]1CCS(=O)(=O)N1 1755287333 WREZCWRVBACJHK-SNVBAGLBSA-N 302.400 -0.724 30 20 DBED CC(=O)Nc1ccc(C(=O)N(C)C[C@@H](O)CNCC#N)nc1 1755780824 MYYOPNMFKLLRAH-LBPRGKRZSA-N 305.338 -0.414 30 20 DBED CN(CC#N)C[C@H](O)CN(C)C(=O)[C@H]1CCn2cncc2C1 1755802510 WRBJSHIECBPTOP-JSGCOSHPSA-N 305.382 -0.280 30 20 DBED C#CCNC(=O)CN1CC=C(CNC(=O)CCN(C)C)CC1 1755892547 NHEKZSGMFDKJCU-UHFFFAOYSA-N 306.410 -0.564 30 20 DBED CNC(=O)NCC(=O)N1C[C@@H](NC(=O)C#CC(C)C)C(C)(C)C1 1756177410 WFSXZAXBMXZASA-GFCCVEGCSA-N 322.409 -0.072 30 20 DBED C=CCOCC(=O)NCC1[C@H]2CN(C(=O)[C@H](C)NC(N)=O)C[C@H]12 1756194492 GOCZSEGWPWMJCV-MVWJERBFSA-N 324.381 -0.934 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H]1C[C@H](NC(=O)[C@@H]2CCN(C)C2)C1 1756252250 WENQKTRJRBCJOG-XQLPTFJDSA-N 321.421 -0.013 30 20 DBED C[C@@H](CN(C)C(=O)[C@@H]1CCNC1=O)NC(=O)CSCC#N 1756480428 CWIXQBDRACVFIW-VHSXEESVSA-N 312.395 -0.658 30 20 DBED COc1ccc(C(=O)O)cc1C=NNCCS(N)(=O)=O 1776046683 BNOHNKXDJOZFAK-UHFFFAOYSA-N 301.324 -0.395 30 20 DBED C=CCCn1cc(CN[C@@H](CS(C)(=O)=O)C(=O)O)nn1 1776176272 SZPXRFWDYVJTOI-JTQLQIEISA-N 302.356 -0.558 30 20 DBED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)NC(=O)C=C)C2)C1 1779284543 LLOYMBWGDTXVIA-LRDDRELGSA-N 319.361 -0.860 30 20 DBED C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3cncnc3C)C2)C1 1779671772 SAZRTFMGIPLOET-MRXNPFEDSA-N 314.345 -0.138 30 20 DBED CC1(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C#CC(=O)O)C3)COC1 1792696161 VRMBMZOQYBABNW-ZSBIGDGJSA-N 320.345 -0.251 30 20 DBED O=C1CC(C(=O)N2CC3(CCCN3C(=O)C#CC3CC3)C2)=NN1 1841541545 ISSHVPWFIBAIPL-UHFFFAOYSA-N 314.345 -0.521 30 20 DBED COCCN(CCC#N)CCNS(=O)(=O)c1cnn(C)c1 72690870 JWLKTDVKTCPORB-UHFFFAOYSA-N 315.399 -0.440 30 20 DBED N#CCCCCNC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 264082004 DIBQHMYGFFWFIV-UHFFFAOYSA-N 321.381 -0.187 30 20 DBED C#CCNC(=O)c1ccc(NCCN2CCCS2(=O)=O)nc1 264889518 STSWWNZOSLUNKJ-UHFFFAOYSA-N 322.390 -0.108 30 20 DBED Cn1c(N2CC(=O)N[C@@H]3CCCC[C@@H]32)c(C#N)c(=O)n(C)c1=O 268236767 VZLJPHXWTDNWPO-MNOVXSKESA-N 317.349 -0.797 30 20 DBED CNS(=O)(=O)CCNC(=O)[C@H](C)Oc1ccc(C#N)cc1 275944808 YHMGFWLHRDHPJI-JTQLQIEISA-N 311.363 -0.009 30 20 DBED C=CCNC(=O)CNC(=O)NCC1(S(C)(=O)=O)CCC1 280408035 WATBXROQUOOKOU-UHFFFAOYSA-N 303.384 -0.445 30 20 DBED C=CCN1CC[C@H](N(C)S(=O)(=O)[C@@H](C)C(=O)N(C)C)C1=O 281611735 SRLUQDXNPRTZOM-QWRGUYRKSA-N 317.411 -0.488 30 20 DBED CN/C(=N\CCN(C)CCOC)NCCN1CCOCC1 303981041 OQWPGZVLNZTLQA-UHFFFAOYSA-N 301.435 -0.938 30 20 DBED N#CC1(CN2CCN(S(=O)(=O)N3CCOCC3)CC2)CC1 329215586 MXPAAPLLZPBPHJ-UHFFFAOYSA-N 314.411 -0.515 30 20 DBED Cc1nccc(N=C(O)N(C)C[C@@H](O)CN2CCOCC2)n1 330104047 GRVAYJFNWLRYEM-GFCCVEGCSA-N 309.370 -0.045 30 20 DBED C[C@H]1CN(/C(O)=N/Cc2nnn(C)n2)CCN1CC(C)(C)O 330217715 ISWDOTYQLIXNGJ-JTQLQIEISA-N 311.390 -0.599 30 20 DBED CCCC/N=C(/O)NC(=O)CN1CCN2C(=O)NC(=O)[C@H]2C1 330696781 DVRGQXPKTDAPHV-SECBINFHSA-N 311.342 -0.947 30 20 DBED CCC[C@@H]1CN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CCO1 336941768 JXXGMZXUYXXLQW-NEPJUHHUSA-N 303.384 -0.044 30 20 DBED C[C@@H](Sc1nnnn1C1CC1)C(=O)NCC(=O)NCC#N 343501373 ADMXBYMWXMYGFS-SSDOTTSWSA-N 309.355 -0.755 30 20 DBED N#CC1(NC(=O)c2cn(CCO)c(=O)nc2O)CCCCC1 345443956 KNQMGANVHDAGSM-UHFFFAOYSA-N 306.322 -0.103 30 20 DBED C=CCNC(=O)CNC(=O)NC[C@H]1CC[C@H](C(=O)N(C)C)O1 346811565 ROJYKPCDLWPTRJ-GHMZBOCLSA-N 312.370 -0.776 30 20 DBED CN(C)S(=O)(=O)CCN(CCC#N)CCN1CCOCC1 352015026 OWZUGBVCTWKSFW-UHFFFAOYSA-N 318.443 -0.574 30 20 DBED CC(C)[C@@H](C#N)N1CCN(C(=O)CN(C)CCC(N)=O)CC1 353163708 DGMBOEFKDJOOQH-CYBMUJFWSA-N 309.414 -0.514 30 20 DBED C=CCN(CC(=O)O)C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 400210285 VIGXJFODMBPTQP-SECBINFHSA-N 305.356 -0.698 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N1C[C@@H](C)O[C@@H](CO)C1 410908661 IVWNVZBHXCWSFQ-VXGBXAGGSA-N 300.355 -0.744 30 20 DBED Cn1cc(S(=O)(=O)NCC(=O)N[C@@]2(C#N)CC2(C)C)cn1 427887939 ROLDUUDKAISYNE-GFCCVEGCSA-N 311.367 -0.493 30 20 DBED Cc1ccc(C(=O)N[C@@H](C)CO)cc1S(=O)(=O)NCC#N 433693332 IINQOJRHOBUSNN-JTQLQIEISA-N 311.363 -0.093 30 20 DBED CNS(=O)(=O)CCNS(=O)(=O)CC1(C#N)CCCCC1 439100882 UXAVSBYQCGCEIT-UHFFFAOYSA-N 323.440 -0.071 30 20 DBED CCN1CCN(C(=O)C(=O)Nc2ccc(C#N)c(C)n2)CC1=O 453689827 OAOLSEWDKMBNII-UHFFFAOYSA-N 315.333 -0.109 30 20 DBED C=C(CC)CNC(=O)N1CCN(C(=O)Cn2cnnn2)CC1 459080073 PNZFBXPNPQAHRV-UHFFFAOYSA-N 307.358 -0.507 30 20 DBED C#CCN(C)CCCNC(=O)C1CCN(S(C)(=O)=O)CC1 491665098 PCDCYWFTXHTQDR-UHFFFAOYSA-N 315.439 -0.271 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C)[C@@H]2CCOC2)C1=O 545959876 FDFQDNLNCKDEAK-VHSXEESVSA-N 309.322 -0.496 30 20 DBED COC(=O)c1ccc(NCCCN2CCNC(=O)C2)c(C#N)n1 565229631 MUJMIEHFVBEZTH-UHFFFAOYSA-N 317.349 -0.026 30 20 DBED CC(C)CCOCCNC(=O)Cn1c(=O)[nH]cc(C#N)c1=O 571680014 CVERUQODSSRZDA-UHFFFAOYSA-N 308.338 -0.413 30 20 DBED N#Cc1ccccc1N1CCN(C(=O)C(=O)NC2CNC2)CC1 578490990 YZHCYNDMNBXIFQ-UHFFFAOYSA-N 313.361 -0.705 30 20 DBED N#Cc1ccc(S(=O)(=O)CCNC[C@@H](O)C(F)F)nc1 578891728 GLKPRURFURPHAD-SECBINFHSA-N 305.306 -0.057 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)NCCN1CCC(O)CC1 579860688 PGCNBJLXIRKZRT-NSHDSACASA-N 304.416 -0.489 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@H](N)C[C@@H]2C)C1=O 584477708 QRKRPAWYWKMCMG-VHSXEESVSA-N 308.338 -0.699 30 20 DBED COCCN(CCOC)S(=O)(=O)N1CC[C@](O)(CC#N)C1 592073435 NTGQTCOQWVXREX-GFCCVEGCSA-N 321.399 -0.824 30 20 DBED CC#CC[C@H](CO)NC(=O)C(=O)Nc1cccc2c1CNC2=O 646951024 UUVMERYVVYJORU-SNVBAGLBSA-N 315.329 -0.241 30 20 DBED CC#CC[C@@H](CO)NC(=O)c1ccc(S(=O)(=O)NC)o1 649190386 ZGDHOGVSEKFXJD-VIFPVBQESA-N 300.336 -0.308 30 20 DBED C#CCCCS(=O)(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 710261287 MXJXNDNCUOQSSX-NSHDSACASA-N 308.425 -0.399 30 20 DBED Cn1cc(C=NNC2=N[C@@H]3CCCC[C@H]3N2)c(=O)n(C)c1=O 753937681 FRXCJASDBPFOFI-GHMZBOCLSA-N 304.354 -0.722 30 20 DBED COC(=O)c1cn([C@@H]2CCN(CC(=O)NCCC#N)C2)nn1 760871970 XISYZZOVRRMJAM-SNVBAGLBSA-N 306.326 -0.659 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC(O)(C(C)C)C2)C1=O 765600754 OMDRMENRKLZDKV-UHFFFAOYSA-N 309.322 -0.808 30 20 DBED C=CCN1CC[C@H](OC(=O)[C@H](NC(=O)C2CC2)[C@@H](C)O)C1=O 798629226 GTTBCXFDHMLFCU-ADEWGFFLSA-N 310.350 -0.408 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@H](COC)[C@H]1CCCO1)[C@@H]1CCCO1 809305268 ANXVRXCIGKOXPJ-RFQIPJPRSA-N 324.377 -0.406 30 20 DBED CC#CCS(=O)(=O)NC(=O)CS(=O)(=O)N(CC)CC 810772680 AKPKSNHRFZCEHS-UHFFFAOYSA-N 310.397 -0.873 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(CN(CC)[C@H](C)C#N)c1=O 853580009 XDGGFRDDXCXHCG-GFCCVEGCSA-N 319.365 -0.265 30 20 DBED C=CCCONC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 856029763 BYLPKQNTILBSTD-UHFFFAOYSA-N 304.306 -0.130 30 20 DBED C#CCCN(CCOC)C(=O)CN1CCS(=O)(=O)CC1 856386676 OWQUKSCKYXLZFD-UHFFFAOYSA-N 302.396 -0.785 30 20 DBED C=C(Cl)C[C@H](N)C(=O)N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 876702227 LVFDGPGGSTVWTF-UWVGGRQHSA-N 314.773 -0.049 30 20 DBED C[C@@H](Nc1c(C#N)c(=O)n(C)c(=O)n1C)[C@@H]1CN(C)CCN1C 895249322 RDGBDWCFLBLJHW-PWSUYJOCSA-N 320.397 -0.998 30 20 DBED C=CCC1(O)CCN(C(=O)C2CN(S(C)(=O)=O)C2)CC1 924428879 VEMMQAIWTLJALZ-UHFFFAOYSA-N 302.396 -0.193 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@H](NC(=O)Cn2c(O)nnc2O)C1 938388553 YFNBINJCQHSQAV-VIFPVBQESA-N 323.353 -0.381 30 20 DBED C#CCN[C@@H]1CN(C(=O)Cn2c(C)cc(C)nc2=O)C[C@H]1C 939418665 RCHQCOMXZICPLP-BXUZGUMPSA-N 302.378 -0.070 30 20 DBED C[C@@H](C#N)C(=O)N1CCCN(C(=O)[C@@]2(C)CNC(=O)C2)CC1 941651446 SCLGGKBIUDMGCJ-XHDPSFHLSA-N 306.366 -0.267 30 20 DBED CCn1cc(C(=O)NC[C@H]2CN(C(=O)[C@H](C)C#N)CCO2)nn1 944750500 IQYZTEPGKQVFGL-MNOVXSKESA-N 320.353 -0.585 30 20 DBED CC(C)(C(N)=O)C(=O)N1CC[C@H]1CNC(=O)c1cc(C#N)c[nH]1 949293229 OPOFRWKYJOOHHD-JTQLQIEISA-N 317.349 -0.271 30 20 DBED Cn1nc(C(=O)NC[C@H]2CCN2C(=O)C#CC2CC2)ccc1=O 952184805 CMZAQBRRPPBGPU-GFCCVEGCSA-N 314.345 -0.476 30 20 DBED CN(C)c1cnc(C(=O)NC[C@@H]2CN(CC#N)C[C@@H]2O)cn1 958070230 YQRYLRIKHPQEQO-PWSUYJOCSA-N 304.354 -0.911 30 20 DBED N#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cnc3[nH]ncc3c2)C1 958176117 QFBNIKPSQOQMBK-NWDGAFQWSA-N 300.322 -0.496 30 20 DBED N#Cc1cccc(CN2C[C@H]3C(NC(=O)Cn4cnnn4)[C@@H]3C2)c1 958192919 KZEQCUVKNJNWPT-ZIAGYGMSSA-N 323.360 -0.209 30 20 DBED Cc1c(Cl)c(C(=O)NC[C@H]2CN(CC#N)C[C@@H]2O)nn1C 958438842 OMOGWKYGULRIHU-UWVGGRQHSA-N 311.773 -0.072 30 20 DBED CC#CCN1C[C@@H](O)[C@H](CNC(=O)c2cc(C(N)=O)cs2)C1 958729480 WGGKALONEBOZNJ-VXGBXAGGSA-N 321.402 -0.107 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1csnn1 960669545 HQHMFSLFNLBTPP-DVVUODLYSA-N 321.362 -0.250 30 20 DBED Cc1c[nH]nc1C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H](C)C#N 960880101 IOWOKNKMCGGBEG-ZMLRMANQSA-N 317.349 -0.070 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CN(C(=O)c3cnc(O)n3C)C[C@H]2C1 962052634 UDWVJNSZFCMSOL-GARJFASQSA-N 317.349 -0.184 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(C1)CN(C(=O)[C@H]1CCOC1)CCO2 965321675 RKWMHBMOMCAQEK-RYUDHWBXSA-N 307.350 -0.378 30 20 DBED Cc1ncn(C)c1C(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1O 966585869 UJJHOMNDXUXBFO-GDPRMGEGSA-N 305.338 -0.810 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@@H](N[C@@H]3CCC(=O)NC3=O)C2)c1 968344678 VLBKWNRTYQNLEA-GHMZBOCLSA-N 315.333 -0.504 30 20 DBED C=CCN1CC[C@@H](C)[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)C1 968539457 OJNCPJIAQBFMDF-NEPJUHHUSA-N 308.382 -0.107 30 20 DBED C[C@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)CN1CCCC1=O)C2 969803901 DNZJWVBKURVEAB-AGIUHOORSA-N 318.377 -0.030 30 20 DBED C[C@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)[C@H]1CN(C)C(=O)N1)C2 969811645 OLLGFUYITGZUQR-NOOOWODRSA-N 319.365 -0.629 30 20 DBED C[C@]1(C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2O)CCCOC1 970117969 UUJVSCGZDMQDSK-KEYYUXOJSA-N 320.389 -0.096 30 20 DBED C[C@@H](NC(=O)c1cn(C[C@H]2CCOC2)nn1)C1CN(CC#N)C1 970661441 AVVOTXGHNZIDPB-VXGBXAGGSA-N 318.381 -0.112 30 20 DBED N#CCN1C[C@H]2CC[C@H]1CN2C(=O)CC[C@H]1CC[C@@H](C(N)=O)O1 971615557 SWVDIEIHTDXDNO-DGAVXFQQSA-N 320.393 -0.002 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)C3(C(N)=O)CC3)C[C@H]21 974968734 DXGREDRXCZNJQM-HBNTYKKESA-N 304.350 -0.529 30 20 DBED COC(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]21 976260365 VBBZPKQQWJPFLO-GGAZOKNXSA-N 316.357 -0.218 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]1CN(C)C(=O)c1cc(C(N)=O)c[nH]1 978273489 ZHTHOOZAEKAUKL-ONGXEEELSA-N 317.349 -0.054 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCC[C@@H](NCC(N)=O)C2)nn1 981375909 ZBNFCWNQCNZEHU-MNOVXSKESA-N 306.370 -0.420 30 20 DBED C#CCN(C)C1CCN(C(=O)CN2C(=O)NC(C)(C)C2=O)CC1 985779349 ZAJSXSUVPWNEHF-UHFFFAOYSA-N 320.393 -0.127 30 20 DBED C=CCn1cc(C(=O)NC2CN(C(=O)CC(C)(C)O)C2)nn1 991674092 SQCCLOXESPXPSJ-UHFFFAOYSA-N 307.354 -0.434 30 20 DBED C#CCN1CC[C@@]2(NC(=O)C3CC(=O)NC(=O)C3)CCC[C@H]12 992319324 APFCTBQKOCEGLM-LRDDRELGSA-N 303.362 -0.214 30 20 DBED CN1CC[C@@H](C(=O)NCC2CN(C(=O)C#CC3CC3)C2)C1=O 1003738388 BAGSDCPSPVPKNP-ZDUSSCGKSA-N 303.362 -0.547 30 20 DBED C=C1CC(C)(C(=O)N2CC[C@]3(CN(C(=O)C(N)=O)CCO3)C2)C1 1007720932 ZQGMSRMXMPCJGG-INIZCTEOSA-N 321.377 -0.342 30 20 DBED Cc1c(C(=O)NCC2[C@@H]3CN(C(=O)[C@@H](C)C#N)C[C@@H]23)nnn1C 1008920882 ZDDJJTFLWDTGTN-UWJYBYFXSA-N 316.365 -0.283 30 20 DBED CCN1CCOC[C@@H]1C(=O)N1CCN(C(=O)C#CC2CC2)CC1 1011110576 GDSBAUPDLXXPTL-OAHLLOKOSA-N 319.405 -0.209 30 20 DBED COCCn1cc(C(=O)N2CCN(C(=O)[C@H](C)C#N)CC2)cn1 1011985515 LYGFFABURBAHKQ-GFCCVEGCSA-N 319.365 -0.026 30 20 DBED C=CCCn1cc(C(=O)N[C@H]2C[C@@H](N[C@H]3CCNC3=O)C2)nn1 1022836011 QDGGMYDCHATCNA-TUAOUCFPSA-N 318.381 -0.407 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)CC3CC3)C[C@H]2O)[nH]1 1023428977 JQZJJIGEOVEJBY-CHWSQXEVSA-N 302.334 -0.012 30 20 DBED CC1(C(=O)N[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2O)CC1 1024089334 OMFZWYIFQKAHJY-VXGBXAGGSA-N 302.334 -0.012 30 20 DBED C=C1CC(C)(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3nc[nH]n3)C2)C1 1025109627 LQYYLDINKACDGQ-NXEZZACHSA-N 305.338 -0.538 30 20 DBED C=CCN[C@@H]1CC[C@@H]2CN(C(=O)Cn3ncn(C)c3=O)C[C@H]21 1026298663 RZPZQXJCDDRFHQ-JHJVBQTASA-N 305.382 -0.406 30 20 DBED C#CCN[C@@H]1CC[C@@H]2CN(C(=O)c3cnc(O)n(C)c3=O)C[C@@H]21 1026326927 UTGHEKGEYMDFGW-KGYLQXTDSA-N 316.361 -0.441 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCN1Cc1nnnn1C 1028142910 TXVUZLARAAGMKK-UPJWGTAASA-N 320.397 -0.118 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)c3cnc(C)cn3)C2)C1=O 1030070139 RWXDCGZAIAUUPW-CQSZACIVSA-N 315.377 -0.014 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)c3cnnn3C)C2)C1=O 1030270000 MVTXECJOBKCTOJ-LLVKDONJSA-N 304.354 -0.984 30 20 DBED CC#CCN1CCCC[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 1034246404 GAAQUVQJPYCPCZ-RYUDHWBXSA-N 306.366 -0.422 30 20 DBED C#CCN[C@@H]1CCN(C(=O)c2cnc(O)n(C)c2=O)C[C@@H]1C 1036137915 AWBIBMFJVMPAPA-CMPLNLGQSA-N 304.350 -0.441 30 20 DBED C#CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1c(C)c[nH]c1CC(N)=O 1037592572 UJZBIDAPOQWVKM-IFUGULHKSA-N 300.362 -0.213 30 20 DBED Cc1c[nH]c(CC(N)=O)c1C(=O)N[C@H]1[C@H]2C[C@H]1N(CC#N)C2 1037592591 USSCCKHJGRSBFK-PXWWUCIGSA-N 301.350 -0.323 30 20 DBED C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CCn1ncn(C)c1=O 1039411281 OPXXLXRVSFOHMK-KGLIPLIRSA-N 317.393 -0.330 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC[C@@](O)(CNC(=O)c2ncc[nH]2)C1 1039662025 KBLYERSKHVPQLI-XHDPSFHLSA-N 322.365 -0.306 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@@](O)(CNC(=O)C2(C)CC2)C1 1040077268 WJVZHEXFTTXMJA-MLGOLLRUSA-N 308.378 -0.096 30 20 DBED C=CCOCC(=O)N1CC[C@](O)(CNC(=O)c2cccnn2)C1 1040677295 UIRXXTXSRGOJLN-HNNXBMFYSA-N 320.349 -0.628 30 20 DBED C=CCCCC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2CNC(=O)N2)C1 1040726239 ZPCQAFAAOSILPV-NHYWBVRUSA-N 324.381 -0.896 30 20 DBED C#Cc1cncc(C(=O)N2CC(O)(CNC(=O)CSC)C2)c1 1041362708 NPKGZNMFNJKICI-UHFFFAOYSA-N 319.386 -0.271 30 20 DBED C#CCN1CC[C@@H]2CCN(C(=O)c3cnc(O)n(C)c3=O)C[C@H]21 1042181387 GOIUGBZQVCLAAT-DGCLKSJQSA-N 316.361 -0.345 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)[C@@H]2CCNC(=O)C2)C1 1042525980 LSDAPPCEBSMWRO-LLVKDONJSA-N 323.393 -0.586 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)CO[C@H]2CCOC2)C1 1042799707 TWYWGVNVWOWEDR-ZDUSSCGKSA-N 324.377 -0.715 30 20 DBED C=CCOCCCC(=O)N1CC(O)(CNC(=O)c2ncc[nH]2)C1 1042931732 VLTAPPLDDSSAIH-UHFFFAOYSA-N 322.365 -0.304 30 20 DBED O=C(C#CC1CC1)NCC1(O)CN(C(=O)c2ccnc(F)c2)C1 1042959423 YTQQAZHDMAZZIY-UHFFFAOYSA-N 317.320 -0.063 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)[C@H]2CCCCO2)C1 1043033295 WTICCMWYONLCDA-CYBMUJFWSA-N 324.377 -0.715 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](Nc2nccn3nnnc23)[C@H](C)C1 1043099100 LTZBEHLFDKDXHA-OPRDCNLKSA-N 300.326 -0.062 30 20 DBED C[C@@]1(C(=O)N[C@@H]2CN(c3ccnc(C#N)n3)C[C@@H]2O)CCOC1 1044144984 PPRYPCGJHMLISQ-JRPNMDOOSA-N 317.349 -0.559 30 20 DBED N#CCN1[C@H]2CC[C@H]1CN(C(=O)c1nccnc1C(N)=O)CC2 1045887584 HGEGMSALYCUYDU-QWRGUYRKSA-N 314.349 -0.222 30 20 DBED CCn1ncc(C(=O)N2CCN([C@H]3CCN(CC#N)C3)CC2)n1 1046026475 XQRDBCURBCSFOU-ZDUSSCGKSA-N 317.397 -0.346 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccnn2CC(F)F)C1 1047379622 ILOOYHFSLLIJFH-RYUDHWBXSA-N 312.320 -0.102 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccn(CCOC)n2)C1 1047452469 FUEYOFWWUANPSG-GJZGRUSLSA-N 320.393 -0.330 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3nncn3CC2)C1 1047462876 NVRHNBACAWHCBF-IHRRRGAJSA-N 319.409 -0.080 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)N2CCCCC2=O)C1 1047639398 VFWDGQZHQJSKAF-KKUMJFAQSA-N 321.421 -0.086 30 20 DBED C=C[C@](C)(CC)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CC(N)=O)C1 1048604724 BFBDSBBCRDCSKF-ZIBATOQPSA-N 311.382 -0.506 30 20 DBED C=CCO[C@@H](C)C(=O)N(C)[C@H]1CN(C(=O)COCC)C[C@@H]1O 1049011618 XSEXPKLSFLSGOF-AVGNSLFASA-N 314.382 -0.356 30 20 DBED Cn1cc(C(=O)N2C[C@@H]3CN(CC#N)C[C@@H]3C2)c(O)nc1=O 1049211615 BYHKXOSWMUIQSZ-AOOOYVTPSA-N 303.322 -0.987 30 20 DBED N#Cc1ccc(N2CC[C@H](NC(=O)c3cnn[nH]3)[C@H](O)C2)nc1 1051808321 ZRWICLCGLJAQRB-CMPLNLGQSA-N 313.321 -0.559 30 20 DBED N#CCN1CCN([C@@H]2CCN(C(=O)[C@H]3CCC(=O)N3)C2)CC1 1051998305 RJVLTUOTLIUARO-CHWSQXEVSA-N 305.382 -0.993 30 20 DBED CC#CCN1CCC[C@H](NC(=O)Cn2ncn(C)c2=O)CC1 1052506972 OYEDIKGALZUJAJ-ZDUSSCGKSA-N 305.382 -0.424 30 20 DBED C=CCN1CC2(C1)CN(C(=O)c1ccc(=O)n(C)n1)CCO2 1053525559 IUXIXNFMOWDEQJ-UHFFFAOYSA-N 304.350 -0.507 30 20 DBED CC#CCN1CC2(CC[C@@H](CNC(=O)c3cc(=O)n(C)o3)O2)C1 1053594269 IAUWTDQPKRRNON-LBPRGKRZSA-N 319.361 -0.035 30 20 DBED CC(=O)N1CC[C@H](C(=O)NC[C@@H]2CCC3(CN(CC#N)C3)O2)C1 1053689913 FNTMFTOACGSHMV-KBPBESRZSA-N 320.393 -0.272 30 20 DBED CN1C(=O)CCC[C@H]1C(=O)NC[C@@H]1CCC2(CN(CC#N)C2)O1 1053694746 YOIMGLSISIMDKO-STQMWFEESA-N 320.393 -0.130 30 20 DBED C=CCN1CC2(C[C@@H](NC(=O)Cc3cn(CC)nn3)CO2)C1 1053878258 GAMIIDQQOQMQGY-CYBMUJFWSA-N 305.382 -0.014 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)c3cn(CC)nn3)CO2)C1 1053969465 OJIRLNZDQINODC-LBPRGKRZSA-N 303.366 -0.106 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)C3CCN(C(N)=O)CC3)CO2)C1 1054004052 GKOWRZYANYSJNY-LBPRGKRZSA-N 321.381 -0.740 30 20 DBED N#Cc1cncc(N[C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)C(N)=O)C3)n1 1054839695 PTTHVHAFOTXFDG-NGZCFLSTSA-N 300.322 -0.375 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CN(C(=O)C3(NC(N)=O)CC3)C[C@H]2C1 1055289356 WTUSLBOAHYLMAH-MXWKQRLJSA-N 319.365 -0.736 30 20 DBED N#Cc1cnc(N2CCN(C(=O)CCn3ccnn3)CC2)cn1 1055783690 XDWOGRRLSJZFGQ-UHFFFAOYSA-N 312.337 -0.321 30 20 DBED CN1C[C@H](C(=O)N2CCN(c3cnc(C#N)cn3)CC2)CC1=O 1056057229 RVIDWCDHUBKPHZ-LLVKDONJSA-N 314.349 -0.525 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)[C@@H]1CC[C@@H]1C(N)=O 1057525253 MKAXOKXNCNDAEK-QWHCGFSZSA-N 323.393 -0.906 30 20 DBED C=CCO[C@H](C)C(=O)N(CCO)CCNC(=O)CCOC 1057921518 JMDXCCOZFCQOQA-GFCCVEGCSA-N 302.371 -0.449 30 20 DBED C=CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)c1cncnc1 1057921804 PSQXJCAOUAWCAE-LBPRGKRZSA-N 322.365 -0.382 30 20 DBED CCc1c(C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N)cnn1C 1058061009 DXKNEPFXMVVMQD-NSHDSACASA-N 321.381 -0.307 30 20 DBED C=CC(C)(C)C(=O)NCCN(CCO)C(=O)c1cnn(C)n1 1058095880 ZLLRFHFGYGTTOL-UHFFFAOYSA-N 309.370 -0.422 30 20 DBED N#Cc1nccnc1N1CC[C@@H](NC(=O)c2c[nH]c(=O)cn2)C1 1058532664 GQRKLPJIQNKILH-SECBINFHSA-N 311.305 -0.560 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)CN1CCCCC1=O 1058652583 ARZWHQVZTNUHMV-LBPRGKRZSA-N 324.381 -0.904 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)COCC(F)F 1058661380 VCEIIXRVWNGMBQ-SECBINFHSA-N 307.297 -0.635 30 20 DBED CN(C[C@H]1CCCN(C(=O)CC(N)=O)C1)c1nccnc1C#N 1058681945 OZTBZUXHJCLQRW-LLVKDONJSA-N 316.365 -0.102 30 20 DBED N#Cc1cncc(N[C@H]2C[C@H](NC(=O)[C@@H]3CCCNC3=O)C2)n1 1059325355 FIHODVRKKJTZBE-CKYFFXLPSA-N 314.349 -0.066 30 20 DBED CN1C[C@H](C(=O)N[C@H]2C[C@H](N=c3cc[nH]c(C#N)n3)C2)CC1=O 1059445830 DVIUDXSVTBUKHK-GMTAPVOTSA-N 314.349 -0.692 30 20 DBED CC(=O)N1CC(C(=O)N2CC[C@@H](CCNC(=O)[C@@H](C)C#N)C2)C1 1059543734 UMXVYCDCSQERBS-WCQYABFASA-N 320.393 -0.021 30 20 DBED N#Cc1cccnc1N[C@H]1C[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1 1059802472 FJWRGRHEWZDLTN-OUAUKWLOSA-N 300.322 -0.306 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 1060952787 IVIRZIWCVIVTJW-YPMHNXCESA-N 313.361 -0.228 30 20 DBED COCCOCC(=O)N1CCOC[C@@H]1CNC(=O)C#CC1CC1 1061570149 URZNBKIIXCIAAC-AWEZNQCLSA-N 324.377 -0.594 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)c1cnn(C)c1N 1061847248 JVFPGUWQZSZRBS-NXEZZACHSA-N 320.353 -0.881 30 20 DBED N#Cc1cnc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)C2=COCCO2)cn1 1064212167 GDNUKQGJHASXPN-OLUVUFQESA-N 313.317 -0.070 30 20 DBED N#Cc1cncc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)[C@@H]2[C@H]3COC[C@H]32)n1 1064322779 KXIDTTUDWLMSIV-VDBHERJRSA-N 311.345 -0.066 30 20 DBED C=CCOCCCC(=O)NC[C@H]1CN(C(=O)COC)CCO1 1064755420 ZZXLSWMMSFRLSJ-ZDUSSCGKSA-N 314.382 -0.041 30 20 DBED C=CCCC(=O)N1CCO[C@H](CNC(=O)CNC(=O)OC)C1 1064955254 DFEWVVFKIORWIO-LLVKDONJSA-N 313.354 -0.348 30 20 DBED C=CCCC(=O)N1CCO[C@@H](CNC(=O)[C@H]2CCN(C)C2=O)C1 1064960598 ZPYCTFCGQFMQDU-QWHCGFSZSA-N 323.393 -0.226 30 20 DBED CC(C)C#CC(=O)N1CCO[C@@H](CNC(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1065126394 PFWVRELKDIZQKI-TTZDDIAXSA-N 320.389 -0.118 30 20 DBED C[C@]1(NC(=O)[C@@H]2CCC(=O)N2)CCN(c2cncc(C#N)n2)C1 1065268439 BANJKNSZZQHOPA-NHYWBVRUSA-N 314.349 -0.288 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)[C@@H]2CCC(=O)N2)CCO1 1065400329 CGYOJMAQPPCUQU-STQMWFEESA-N 321.377 -0.732 30 20 DBED N#Cc1cnc(N2CC[C@H]3[C@@H]2CCCN3C(=O)C(N)=O)cn1 1066182478 DJZARAGJSHQWOP-QWRGUYRKSA-N 300.322 -0.597 30 20 DBED Cc1nn[nH]c1C(=O)NCC1[C@H]2CN(c3ccnc(C#N)n3)C[C@H]12 1068192597 MVXRYFHNAZZNQN-GHMZBOCLSA-N 324.348 -0.113 30 20 DBED COCCC(=O)N[C@@H]1COC2(C1)CN(C(=O)C#CC1CC1)C2 1068646230 HEGIAPQOHGWRCY-ZDUSSCGKSA-N 306.362 -0.078 30 20 DBED C=CCCC(=O)N1CC2(C[C@H](NC(=O)[C@H](C)CC(N)=O)CO2)C1 1068943956 VBVNQVPGPFVAQR-NEPJUHHUSA-N 323.393 -0.050 30 20 DBED N#Cc1nccc(N2CC[C@]3(NC(=O)C(N)=O)CCC[C@@H]23)n1 1069283004 UUFRIASELZVRCT-YMTOWFKASA-N 300.322 -0.549 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@]2(CCCN(C(=O)CNC(N)=O)C2)C1 1069709046 CVHFCUFUEOYWDS-NHYWBVRUSA-N 321.381 -0.345 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2cn(C)nc2C)C1 1069902496 ADFPOMPXYLSDLW-KGLIPLIRSA-N 313.365 -0.391 30 20 DBED C=CCOCC(=O)N1CCC[C@@H](NC(=O)COCCOC)C1 1070553307 JEHSIVRICNSFDN-CYBMUJFWSA-N 314.382 -0.041 30 20 DBED C#CCCN1CCNC(=O)CCN(C(=O)c2cnn[nH]2)CC1 1070976536 HDYPSHWWGYKKKN-UHFFFAOYSA-N 304.354 -0.908 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)[C@@H]2CCC(=O)N2)CC1 1071016716 SDPQPBOOMPKZSG-LBPRGKRZSA-N 308.382 -0.899 30 20 DBED C#CCN1CC[C@@]2(C1)CN(C(=O)c1cc(=O)n(C)o1)C[C@@H](C)O2 1071159879 SSJIPSBIPNXMAD-MLGOLLRUSA-N 319.361 -0.083 30 20 DBED C=CCCN1C[C@H](NC(=O)CN2CCNC(=O)C2)CC[C@@H]1C 1071739689 XCPIVCSOEQNSSA-UONOGXRCSA-N 308.426 -0.037 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)CSC)C1 1071932668 LRPYJIKVQULZIN-MNOVXSKESA-N 311.407 -0.548 30 20 DBED CC#CCCCC(=O)N1C[C@@H](NC(=O)Cn2cnnn2)[C@H](C)C1 1072553946 BNQGAERTJBUKEF-CHWSQXEVSA-N 318.381 -0.170 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCN(C(=O)C(N)=O)CC1(C)C 1073393448 JUUUTUBIGOEWPR-LLVKDONJSA-N 309.366 -0.745 30 20 DBED C=C(C)CN1CCCO[C@H](CNC(=O)[C@@H]2CN(C)C(=O)N2)C1 1073727117 SZGQEKZNJIFCAF-OLZOCXBDSA-N 310.398 -0.207 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)c2ccoc2CC(N)=O)C1 1073742738 DJIIFTGLRQTMCU-GFCCVEGCSA-N 319.361 -0.239 30 20 DBED C=CCOCC(=O)N1CC[C@@H](NC(=O)Cn2ncnn2)C[C@H]1C 1075004866 VWVBMJNYGDKIDZ-VXGBXAGGSA-N 322.369 -0.629 30 20 DBED C#CCN1C[C@@H]2CCN(C(=O)C[C@H]3CCS(=O)(=O)C3)[C@@H]2C1 1076007947 SNIDCGQQYITBPR-HZSPNIEDSA-N 310.419 -0.023 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)c1n[nH]cc1C 1076218788 FZFPHEXCWSRNEW-NSHDSACASA-N 319.365 -0.518 30 20 DBED CC#CCN1C[C@@H]2CCN(C(=O)c3cn(C)c(=O)n3C)[C@@H]2C1 1076615633 ZEQPMKVYXLZHJR-QWHCGFSZSA-N 302.378 -0.107 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2COCCN2CCCC)C1 1077444045 INDZYPRVZIOQNA-QLFBSQMISA-N 309.410 -0.718 30 20 DBED C[C@@H](CCNC(=O)[C@H](C)C#N)NC(=O)C(C)(C)S(C)(=O)=O 1078138065 QCBLDVFINJWNJO-ZJUUUORDSA-N 317.411 -0.020 30 20 DBED C#CCCN1C[C@@H](NC(=O)[C@@H]2Cc3cncn3C(=O)N2)[C@H](C)C1 1080181857 OQSHLVBITKWLHT-KWCYVHTRSA-N 315.377 -0.175 30 20 DBED C=CCCC(=O)N1C[C@H](CNC(=O)C2=COCCO2)[C@@H](O)C1 1081218830 ZAJIAGHHVRAGMQ-RYUDHWBXSA-N 310.350 -0.224 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)c2cnnc(O)c2)C[C@H]1O 1081338020 LINCXJJTNUUOCA-NWDGAFQWSA-N 320.349 -0.303 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)c2cn[nH]c2)C[C@@H]1O 1081463951 UMSIRHYLIWMVLW-OLZOCXBDSA-N 304.350 -0.382 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1081471501 OIEAHIWFSFHEIW-HUUCEWRRSA-N 300.358 -0.251 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cc(C(N)=O)co1 1083187825 ODLVUAKAGMAOIG-CMPLNLGQSA-N 304.306 -0.573 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H]2CN(CC(=O)NC)C[C@@H]21 1083198904 XKQLIBHGLCSXSJ-ZOBORPQBSA-N 323.393 -0.765 30 20 DBED C#CCCN1CC[C@@H]1CN(C)C(=O)c1cn(C)c(=O)n(C)c1=O 1085850004 LTRBPKZMBUEZHD-GFCCVEGCSA-N 318.377 -0.746 30 20 DBED Cn1cc([C@@H]2CN(C(=O)[C@@H]3CCOC3)C[C@H]2NCC#N)cn1 1086970289 IQSBTGNDDDTNQF-KWCYVHTRSA-N 303.366 -0.136 30 20 DBED C[C@@H]1CC[C@H](NC(=O)CNC(N)=O)CN1c1nccnc1C#N 1089109159 FMRMAOPEGSANBH-ZJUUUORDSA-N 317.353 -0.510 30 20 DBED C=C(Cl)CN1CC[C@H](NC(=O)c2cnn(C)c2N)[C@H](O)C1 1090216444 MZPBMUNPPVBYLN-WDEREUQCSA-N 313.789 -0.080 30 20 DBED COCCn1cc(C(=O)N[C@@H]2CCN(CC#N)C[C@@H]2O)c(C)n1 1090258278 MMDDIOXOVDPGPN-KGLIPLIRSA-N 321.381 -0.474 30 20 DBED CC(=O)NCC(=O)N1CC[C@H]2CN(c3cncc(C#N)n3)C[C@H]21 1090283701 HOEBOQTWUOMVTP-WCQYABFASA-N 314.349 -0.479 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2cc(O)nc(C3CC3)n2)[C@@H](O)C1 1090341406 HZDAJQOIQGXFLL-YPMHNXCESA-N 316.361 -0.142 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)c2ccc(=O)n(C)n2)[C@@H](O)C1 1090791913 XKWHCQXNMUZPPT-YPMHNXCESA-N 306.366 -0.479 30 20 DBED COCC(=O)N[C@@H]1CCN(c2nc(C)ccc2C#N)C[C@H]1O 1092127439 YQVJQDRJWBAENM-CHWSQXEVSA-N 304.350 -0.036 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@@H]2CN(c3ncccc3C#N)C[C@@H]12 1093267140 VQGHRXNKYIEZEM-CHWSQXEVSA-N 323.356 -0.356 30 20 DBED N#Cc1cnccc1N1C[C@@H]2C(NC(=O)C3(C(N)=O)CC3)[C@H]2C1 1093355352 FTSQKIPDEGAQSR-QWRGUYRKSA-N 311.345 -0.230 30 20 DBED N#Cc1cnc(NCCNC(=O)c2cccn3c(O)nnc23)cn1 1093761248 WPQYUUJYFZELFR-UHFFFAOYSA-N 324.304 -0.062 30 20 DBED N#Cc1nc(=NCCNC(=O)c2cnc3[nH]cnc3c2)cc[nH]1 1093906903 AYMRGWONDPWQKZ-UHFFFAOYSA-N 308.305 -0.117 30 20 DBED N#Cc1nc(NCCNC(=O)[C@@H]2CNC(=O)N2)sc1Cl 1094104797 UMABSLLOMIXMGU-LURJTMIESA-N 314.758 -0.122 30 20 DBED CCn1cc(CC(=O)NCCN=c2cc[nH]c(C#N)n2)nn1 1094281833 UVYBYCSOXQGLBB-UHFFFAOYSA-N 300.326 -0.848 30 20 DBED C#CCN1CC[C@@]2(CNC(=O)[C@@H]3CC(=O)NC(=O)N3)CCC[C@@H]12 1094527253 XVAHIKXOEXGMNY-HWWQOWPSSA-N 318.377 -0.422 30 20 DBED CC#CCN1CC(N2C[C@@H](NC(=O)[C@H]3CCCN3C)CC2=O)C1 1094713881 KJUWTYDAKFYKAU-DZGCQCFKSA-N 318.421 -0.495 30 20 DBED COc1nc(C(=O)N[C@@H]2CC(=O)N(C3CN(CC#N)C3)C2)co1 1094767250 XLMRPFWNOBAYJF-SECBINFHSA-N 319.321 -0.778 30 20 DBED CNC(=O)CC(=O)N1CCC(Nc2nccnc2C#N)CC1 1095224026 JNOCAPUYVPQILU-UHFFFAOYSA-N 302.338 -0.113 30 20 DBED CO[C@@H](C)C(=O)NCCN1CCN(c2cnc(C#N)cn2)CC1 1096270860 LHEDMUCSVHOUIY-LBPRGKRZSA-N 318.381 -0.379 30 20 DBED CCNC(=O)CCC(=O)N[C@H]1CCN(c2nccnc2C#N)C1 1096333557 WTDUIXQNQNOULM-NSHDSACASA-N 316.365 -0.041 30 20 DBED CC(=O)NCC(=O)NC[C@@H](N=c1cc[nH]c(C#N)n1)C1CC1 1096559035 FFELUEBTNINGJY-LLVKDONJSA-N 302.338 -0.787 30 20 DBED Cc1cc(C#N)nc(N[C@H](CNC(=O)CC(N)=O)C2CC2)n1 1096627533 IMCSGIKRCNPPOU-LLVKDONJSA-N 302.338 -0.161 30 20 DBED CC(=O)N(C)CC(=O)N1CC[C@H](N=c2cc[nH]cc2C#N)C1 1096918489 VGMLMOAFLCQEKJ-ZDUSSCGKSA-N 301.350 -0.134 30 20 DBED N#Cc1nccc(N2CCCC[C@H]2CNC(=O)CNC(N)=O)n1 1097392152 BMTSUSJZHAKORX-JTQLQIEISA-N 317.353 -0.508 30 20 DBED C[C@@H](NC(=O)CC(N)=O)[C@@H]1CCCN(c2ccc(C#N)nn2)C1 1097519008 OWDLZMXJMVJEPZ-GHMZBOCLSA-N 316.365 -0.055 30 20 DBED C[C@H](NC(=O)C(N)=O)[C@@H]1CCCN(c2cnc(C#N)cn2)C1 1097548382 UQFHXQDRUQXLEA-VHSXEESVSA-N 302.338 -0.445 30 20 DBED C[C@@H](CNC(=O)C[C@H]1CC(=O)NC1=O)Nc1ccc(C#N)nc1 1097944363 WULBKQSCZVYCNG-UWVGGRQHSA-N 315.333 -0.077 30 20 DBED C[C@H]1CC(=O)N[C@@H](C(=O)NC[C@@H](C)N=c2cc[nH]c(C#N)n2)C1 1098322700 FHWBRHZTJYKOIS-GMTAPVOTSA-N 316.365 -0.399 30 20 DBED C[C@H](CNC(=O)c1cc(=O)n(C)cn1)N=c1cc[nH]c(C#N)n1 1098362933 KJFNBERZKTYMDZ-SECBINFHSA-N 313.321 -0.906 30 20 DBED CC#CCN(CCO)C1CCN(C(=O)[C@@H]2CC(=O)N(C)C2)CC1 1098384443 VUXHJDCHNHMQPO-CQSZACIVSA-N 321.421 -0.227 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)[C@@H]1CNC(=O)N1)C[C@@H](C)O2 1098630548 HYTJKNPVSKYAET-OLZOCXBDSA-N 320.393 -0.617 30 20 DBED CN(c1ccc(C#N)nn1)[C@@H]1CCCN(C(=O)CNC(N)=O)C1 1098681946 YOBURRQZOWMYIP-LLVKDONJSA-N 317.353 -0.556 30 20 DBED N#CCNC(=O)CN1CC[C@@H](NC(=O)c2ccsc2)[C@H](O)C1 1099650221 BMSLFGRVTIIWLV-VXGBXAGGSA-N 322.390 -0.447 30 20 DBED COCC#CCN1CC[C@H](NC(=O)C2=COCCC2)[C@@H](O)C1 1099726930 LGHWGYRXPSZYOP-GJZGRUSLSA-N 308.378 -0.118 30 20 DBED NC(=O)CC(=O)N[C@@H]1CCN(CC#Cc2ccccc2)C[C@H]1O 1099757804 JZMVLVXSJWHPND-HUUCEWRRSA-N 315.373 -0.535 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)Cc2cnc(C)o2)[C@H](O)C1 1099869664 SLQOBPGALRZBRR-HUUCEWRRSA-N 321.377 -0.273 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)C(C)(C)C(=C)C)[C@@H](O)C1 1099947672 YZWWWTGMLNQITN-KGLIPLIRSA-N 321.421 -0.111 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)C2(C(N)=O)CC2)[C@H](O)C1 1099981327 NQVWUOIJMKSZKJ-NWDGAFQWSA-N 311.382 -0.994 30 20 DBED C#CCN1CC[C@H](NC(=O)CCNC(=O)C2CCC2)[C@H](O)C1 1100031418 FARPXLHMLDEDGD-UONOGXRCSA-N 307.394 -0.523 30 20 DBED CN(CCNC(=O)[C@@H]1CNC(=O)N1)c1cccc(F)c1C#N 1100308387 APIUCKDEZWAFMV-NSHDSACASA-N 305.313 -0.069 30 20 DBED CCC(=O)N[C@H](C)C(=O)NCC1CC(NCC(=O)NCC#N)C1 1100354622 JDWXVOCQLXOSIM-VOMCLLRMSA-N 323.397 -0.975 30 20 DBED CCN(CCNC(=O)[C@@H]1CN(C)C(=O)N1)c1ccc(C#N)cn1 1100684793 XCDTYIHUSHERAJ-LBPRGKRZSA-N 316.365 -0.081 30 20 DBED C=CCCNC1CC(CNC(=O)CCn2cc[nH]c(=O)c2=O)C1 1100764131 SHHDDVQTDJMCNV-UHFFFAOYSA-N 320.393 -0.013 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)c2ncccn2)C1 1100776128 YOCHHZCDAFSOEP-UHFFFAOYSA-N 301.350 -0.676 30 20 DBED C=CCN1CC[C@@H](Oc2ccnc(CNC(=O)C(N)=O)c2)C1 1101096967 GOMCIQZSRVXBNN-CYBMUJFWSA-N 304.350 -0.178 30 20 DBED CS(=O)(=O)CC(=O)NCCN(c1cnc(C#N)cn1)C1CC1 1101301633 HAWDHJQJKPAHMV-UHFFFAOYSA-N 323.378 -0.522 30 20 DBED Cc1cc(C#N)nc(NCCN(C)C(=O)CCn2cnnn2)n1 1101740098 RMEOZNPEDDMBCG-UHFFFAOYSA-N 315.341 -0.396 30 20 DBED N#Cc1ccc(N[C@H]2CC[C@H](NC(=O)CNC(N)=O)CC2)nn1 1103634763 IHEPGIVGEVSXMR-MGCOHNPYSA-N 317.353 -0.144 30 20 DBED C#CCNCc1cn(C2CN(C(=O)[C@H]3CC[C@@H](C)O3)C2)nn1 1105332090 VRCNVXZCFRMBEX-BXUZGUMPSA-N 303.366 -0.048 30 20 DBED CN(CCN(C)c1ncc(C#N)cc1F)C(=O)Cn1cnnn1 1105344805 ZFWUVFKERQJJJH-UHFFFAOYSA-N 318.316 -0.326 30 20 DBED CN1C[C@H](C(=O)N(C)CCN(C)c2cncc(C#N)n2)CC1=O 1105583720 NAGKFRWDRIQBJE-LLVKDONJSA-N 316.365 -0.279 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](O)CNC(=O)c2cc[nH]n2)n1 1105767123 JURHKPLRDUMKOZ-JTQLQIEISA-N 301.310 -0.417 30 20 DBED CCn1nncc1C(=O)NC[C@H](O)CNc1cnc(C#N)cn1 1105822572 SFLJPNJBGNMWDD-SNVBAGLBSA-N 316.325 -0.838 30 20 DBED C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1CN[C@@H]1CCNC1=O 1105846243 NGVIZOSKJQKVFM-IJLUTSLNSA-N 310.423 -0.184 30 20 DBED N#Cc1cnc(NC[C@H](O)CNC(=O)CCNC(N)=O)c(F)c1 1105853486 ORNQQFAVBCPLAH-SECBINFHSA-N 324.316 -0.960 30 20 DBED Cc1nc[nH]c1C(=O)NC[C@@H](O)CNc1cncc(C#N)n1 1105887810 HZTDIXAAUTUAGY-JTQLQIEISA-N 301.310 -0.417 30 20 DBED C=CCO[C@H](C)C(=O)NC[C@H](O)CNc1nccnc1C#N 1105891300 ALRCYQVNTMDIQU-GHMZBOCLSA-N 305.338 -0.172 30 20 DBED Cc1cncn1CC(=O)NC[C@@H](O)CNc1ccc(C#N)nn1 1106026801 RSWPKFVCNGDMHJ-LBPRGKRZSA-N 315.337 -0.558 30 20 DBED N#Cc1nccnc1NC[C@H](O)CNC(=O)COCC(F)F 1106032883 WSSXTUPMLSSHQY-MRVPVSSYSA-N 315.280 -0.481 30 20 DBED CC(=O)N[C@H](C)C(=O)N[C@H](C)CCN=c1cc[nH]c(C#N)n1 1106209451 YFERPKOBBOELCK-NXEZZACHSA-N 304.354 -0.399 30 20 DBED C=CCOCC(=O)NC/C=C\CN=c1cc[nH]c(C(=O)OC)n1 1107075707 VONSWQYZRWDAIY-PLNGDYQASA-N 320.349 -0.028 30 20 DBED CC(C)C#CC(=O)NC[C@@]1(C)CN(Cc2nnnn2C)CCO1 1107927630 YATKJEVOBGOJLT-HNNXBMFYSA-N 320.397 -0.423 30 20 DBED Cc1nonc1CC(=O)N[C@@H](C)CN=c1cc[nH]c(C#N)n1 1108495739 PMSBCMAGNXFJTI-QMMMGPOBSA-N 301.310 -0.379 30 20 DBED C#CCCN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1ncn(C)c1=O)C2 1108714111 GVQQEYOGHBNIHC-MJBXVCDLSA-N 317.393 -0.426 30 20 DBED NC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C#CC1CC1 1109255459 OQSPLCIGTMPRCF-WOPDTQHZSA-N 304.350 -0.684 30 20 DBED N#Cc1nc(=NC[C@H](NC(=O)Cn2nccn2)C2CC2)cc[nH]1 1109912375 BOQUHRBYUISXDV-NSHDSACASA-N 312.337 -0.631 30 20 DBED Cc1cc(C#N)nc(NC2(CNC(=O)Cn3ncnn3)CC2)n1 1110237120 ARDXUCZDORVRIB-UHFFFAOYSA-N 313.325 -0.596 30 20 DBED CC(=O)NCC(=O)N1C[C@@H]2CN(c3ncccc3C#N)C[C@@H]2C1 1111286310 FFNMRAPNIWOBTI-OKILXGFUSA-N 313.361 -0.016 30 20 DBED COC[C@H](C)C(=O)N(CCO)CCNc1cnc(C#N)cn1 1111437947 CNNXIWOREMCEID-NSHDSACASA-N 307.354 -0.136 30 20 DBED N#CCN1C[C@@H]2CCC[C@]2(NC(=O)CC[C@@H]2NC(=O)NC2=O)C1 1111975030 OVJQQDACWXLBDW-PGUXBMHVSA-N 319.365 -0.531 30 20 DBED N#CCN[C@@H]1CN(C(=O)CCNC(N)=O)C[C@H]1C(F)(F)F 1112204020 XVTIYESAPHCAHN-HTQZYQBOSA-N 307.276 -0.453 30 20 DBED CC(C)OCC(=O)NC[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1O 1112708868 ATPSSIAKDMNEKC-DGCLKSJQSA-N 319.365 -0.313 30 20 DBED CCC[C@@H](OCC)C(=O)N1CCN(CC(=O)NCC#N)CC1 1113221427 QJGKINXPQCISIY-CYBMUJFWSA-N 310.398 -0.024 30 20 DBED COCC#CCN1CCN(C(=O)[C@@H]2CCc3nn[nH]c3C2)CC1 1113532894 KHMYSYFKZIWJSU-CYBMUJFWSA-N 317.393 -0.296 30 20 DBED CN(C)CCCCC(=O)N1CCN(CC(=O)NCC#N)CC1 1113563145 FRIGOTFCBQZGAD-UHFFFAOYSA-N 309.414 -0.498 30 20 DBED C[C@@H](CC(=O)N1CCN(CC(=O)NCC#N)CC1)[C@@H]1CCCO1 1113578717 PNRUNUCPPOCKGL-KBPBESRZSA-N 322.409 -0.024 30 20 DBED C=CCOCCN1C[C@H]2C(NC(=O)c3nccnc3N)[C@@H]2C1 1114057712 NVGNXKGICSFQCL-GHMZBOCLSA-N 303.366 -0.079 30 20 DBED CC(C)n1nnnc1CN1C[C@@H]2C(NC(=O)[C@H](C)C#N)[C@H]2C1 1114064204 NQMDBZZWKMFYMN-VWYCJHECSA-N 303.370 -0.040 30 20 DBED N#CCNC(=O)CN1C[C@@H]2C(NC(=O)CCc3ncc[nH]3)[C@H]2C1 1114206223 HJYHOXNXOZAKMH-QWRGUYRKSA-N 316.365 -0.972 30 20 DBED C#CCOCCC(=O)N[C@H]1[C@@H]2CN([C@@H](C)C(=O)NC3CC3)C[C@@H]21 1114262275 AXTISEXRKTUUMT-YYWXWVFPSA-N 319.405 -0.260 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)c3cnnc(O)c3)[C@@H]2C1 1114436307 DYKSETVIQADCGY-VXGBXAGGSA-N 302.334 -0.508 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)c3ccnc(OC)n3)[C@H]2C1 1114548551 SMBPFVRWZYXAOU-IMRBUKKESA-N 316.361 -0.205 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)[C@]3(C)CCNC3=O)[C@H]2C1 1114826216 GFXCNOWOCNZXAR-LMOYCYGVSA-N 305.378 -0.791 30 20 DBED C=CCO[C@H](C)C(=O)NC1[C@H]2CN(CCN3CCNC3=O)C[C@H]12 1115332347 NDZLHZNHEZTGPZ-AGIUHOORSA-N 322.409 -0.351 30 20 DBED COC(=O)NCC(=O)N(C)C[C@H](C)Nc1cncc(C#N)n1 1115620545 FLPNJWMNWOENOE-VIFPVBQESA-N 306.326 -0.037 30 20 DBED N#Cc1ccc(NC(=O)C(=O)N2CC(CC(N)=O)C2)c(F)c1 1116881875 HGXWJNSIXFBDRG-UHFFFAOYSA-N 304.281 -0.030 30 20 DBED COCC1(O)CCN(C(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)CC1 1118179685 CBAZNWYKXCNWRZ-NWDGAFQWSA-N 309.366 -0.205 30 20 DBED C#CCOCCn1nnnc1N1CCO[C@]2(CCO[C@H]2C)C1 1120253357 YXQAVKWOMSPETN-GXTWGEPZSA-N 307.354 -0.293 30 20 DBED N#Cc1cncc(N[C@H](CO)CNC(=O)COCC2CC2)n1 1121092119 JDLFQYGWCHNQIL-LBPRGKRZSA-N 305.338 -0.336 30 20 DBED C=CCCOCC(=O)NC[C@H](CO)N=c1cc[nH]cc1C#N 1121748913 HXICBIPQYMJEJY-CYBMUJFWSA-N 304.350 -0.143 30 20 DBED Cc1nc[nH]c1CC(=O)NC[C@@H](CO)Nc1cncc(C#N)n1 1121859747 BSNXZSSNNXECIJ-NSHDSACASA-N 315.337 -0.489 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](CO)Nc1ccc(C#N)nn1 1122593041 KNGDDKCKSAJPCU-UPJWGTAASA-N 317.349 -0.172 30 20 DBED CN(C)C(=O)CC(=O)N(C)C[C@H](O)CN=c1cc[nH]cc1C#N 1124797534 DLWJFWOPWIDGPC-GFCCVEGCSA-N 319.365 -0.915 30 20 DBED C#CCO[C@@H](C)C(=O)NCCNC[C@@H](C)CS(C)(=O)=O 1127051235 DIQXKINKPFENGL-NEPJUHHUSA-N 304.412 -0.589 30 20 DBED C=CCNC(=O)CNCCNC(=O)COc1c(C)nn(C)c1C 1127357471 YVLWOHYCGNZZQD-UHFFFAOYSA-N 323.397 -0.576 30 20 DBED CCC(=O)NCC(=O)NCc1c[nH]nc1[C@H]1CCN(CC#N)C1 1130361216 JAPASABUYNNPOY-NSHDSACASA-N 318.381 -0.135 30 20 DBED CCNC(=O)CC(=O)N1C[C@@H](NCC#N)[C@H](c2cn(C)cn2)C1 1130565399 KONXTGJRPVRBAB-WCQYABFASA-N 318.381 -0.646 30 20 DBED CCC(=O)NCc1nc([C@H]2COCCN2CC#CCOC)n[nH]1 1130825887 NPDSHVFPHQSMHB-GFCCVEGCSA-N 321.381 -0.146 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H]2C[C@H]3CN(C(C)=O)C[C@@]3(C1)O2 1131164533 OBUFTOOMTXZWFO-UZMCECQYSA-N 305.378 -0.554 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)C[C@@H](C)NCc1ccnn1C 1134131515 XPHCQVIFNBMPCY-OLZOCXBDSA-N 319.409 -0.068 30 20 DBED CC(C)(C)C#CC(=O)N1CC2(CCN(CC(=O)NC(N)=O)C2)C1 1147523184 PQMRUMLJQKGLAA-UHFFFAOYSA-N 320.393 -0.235 30 20 DBED N#CCNC(=O)CNCCNC(=O)C[C@H]1OCc2ccccc21 1149352839 XBLSQBVWUCHMBZ-CQSZACIVSA-N 316.361 -0.006 30 20 DBED C#CCCN1CCCO[C@@H](CNC(=O)CS(=O)(=O)CC)C1 1150772634 SSDFTGMSWUOOQB-ZDUSSCGKSA-N 316.423 -0.349 30 20 DBED COCC#CCNCCNC(=O)C(C)(C)NC(=O)C(F)(F)F 1152054173 STBNDXGYSXIZMP-UHFFFAOYSA-N 323.315 -0.201 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)CCn1cc(C)cn1 1152377343 SJQKBIODASWOEJ-ZDUSSCGKSA-N 305.382 -0.575 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)NCCCNC(=O)c1ccon1 1155153523 WMEFOGXOYAYFEI-JTQLQIEISA-N 323.353 -0.216 30 20 DBED COCCOC[C@H](O)CNCCCNC(=O)c1ccc(C#N)[nH]1 1156690456 CXLTUOXCHYXCID-CYBMUJFWSA-N 324.381 -0.380 30 20 DBED C=CCNC(=O)CNCCCNC(=O)CCCCc1cnn[nH]1 1163212146 DIXWPKSYNLQRPP-UHFFFAOYSA-N 322.413 -0.084 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)C[C@H]1CCC(=O)N1C 1163800588 DWALQZCTNXWICB-CHWSQXEVSA-N 322.409 -0.769 30 20 DBED CC#CCNCCCNC(=O)[C@@H](NS(C)(=O)=O)C(C)C 1167847589 LTMPAXBFXKVALX-LBPRGKRZSA-N 303.428 -0.321 30 20 DBED C[C@@H](CCCCNCC#N)NC(=O)Cn1ccc(O)nc1=O 1171704299 YEFADCYCCQTBFH-NSHDSACASA-N 307.354 -0.263 30 20 DBED N#CCN1CCO[C@@H]2CCN(C(=O)C(=O)NCC3CC3)C[C@H]21 1177125075 NAHQNJRUOMFPOV-CHWSQXEVSA-N 306.366 -0.662 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)c2cnnc(O)c2)[C@H]1C 1178947998 BBCIRBYHWHADCS-JQWIXIFHSA-N 319.365 -0.323 30 20 DBED CCn1cc(C(=O)N2CC[C@H](NCC(=O)NCC#N)[C@@H]2C)nn1 1179799484 PXQSIIXLJDUSEE-QWRGUYRKSA-N 319.369 -0.870 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2ccnc(O)c2)C1 1181963752 AYWUWPIRUGVAFK-GFCCVEGCSA-N 302.334 -0.659 30 20 DBED C[C@H]1CN(C(=O)Cn2ncn(C)c2=O)CC[C@H]1CNCC#N 1184682303 CWNCANLPIZDJAW-RYUDHWBXSA-N 306.370 -0.820 30 20 DBED C#CCNC[C@@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C[C@H]1C 1185283166 NWHASNVJPWXEGI-NEPJUHHUSA-N 305.378 -0.253 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)Cn2ccc(C)n2)C1 1185715696 JLXRWZHWDZHNOM-CYBMUJFWSA-N 305.382 -0.316 30 20 DBED C#CCNC[C@@H]1CN(C(=O)c2nnn(C)n2)CC12CCOCC2 1186464142 FUJNPAWHEKJVOI-GFCCVEGCSA-N 318.381 -0.698 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]2CN(CCNS(C)(=O)=O)C[C@H]21 1187335642 WLKKEQBIQLNICB-SDDRHHMPSA-N 314.411 -0.772 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H]2CN([C@@H](C)COC)C[C@H]21 1187598500 QKCSEKFJQZWFIO-MELADBBJSA-N 307.394 -0.307 30 20 DBED N#CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3ccncn3)[C@@H]2C1 1189497567 FGAJLZSWYSYKRK-WCQYABFASA-N 314.349 -0.737 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)[C@H]2CCNC(=O)C2)C1 1189623500 ZHBRWPMJFFUJGC-QWHCGFSZSA-N 322.409 -0.653 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)[C@H]2COCCN2C)C1 1189695885 UAVDUPNYRIYNBC-ZIAGYGMSSA-N 324.425 -0.848 30 20 DBED CCC(=CC(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1O)CC 1192195878 ZNJRFZJOFSKCTD-CHWSQXEVSA-N 308.382 -0.466 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](N(C)CC(=O)NCC#N)C1 1192426826 SVJMRYRXYPHAIZ-MCIONIFRSA-N 320.393 -0.250 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CN(Cc2cccc(C#N)c2)C[C@H]1O 1192429726 QBIMRLRDYCZUKW-ZIAGYGMSSA-N 316.361 -0.644 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)c2cc[nH]c2)C1 1193141974 YWUWEMXESIGWRX-CYZMBNFOSA-N 306.366 -0.520 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@@H](N(C)CC(=O)NC)C2)cn1 1193543008 OGEJJVRKHJCERN-CQSZACIVSA-N 300.362 -0.045 30 20 DBED CN(CC(=O)NCC#N)[C@H]1CCN(C(=O)c2ccn(C)n2)C1 1194010224 IOXNKEQWSRKNEV-NSHDSACASA-N 304.354 -0.794 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)Cn2cncc2C)C1 1194719669 BTSBJALXJCEZEM-ZIAGYGMSSA-N 306.366 -0.997 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)C(C)(F)F)C1 1196260913 ZIELRTIWECZVHV-GMTAPVOTSA-N 317.336 -0.812 30 20 DBED C=CCN1CCCN(C(=O)CCS(=O)(=O)N(C)C)CC1 1198222164 TYGACZSWCPRYMR-UHFFFAOYSA-N 303.428 -0.012 30 20 DBED C=CCCCN1C[C@@H](O)[C@H](NC(=O)CN2C(=O)CCC2=O)C1 1198466672 UNXGEFQQBZIOJK-VXGBXAGGSA-N 309.366 -0.737 30 20 DBED C#CCCNC[C@H]1CN(C(=O)[C@H]2CN(C)CCO2)CCCO1 1200180662 AWGIFEALYMHYNI-LSDHHAIUSA-N 309.410 -0.453 30 20 DBED C#CCOCCC(=O)N1CCCO[C@H](CN[C@@H](C)C(N)=O)C1 1200478801 MAADALIDYSNYCO-QWHCGFSZSA-N 311.382 -0.893 30 20 DBED C#CCOCCC(=O)N1CCCO[C@@H](CNCc2cnon2)C1 1200501015 MXUQALYRMBFHQF-AWEZNQCLSA-N 322.365 -0.183 30 20 DBED C#CCCNC1CCN(C(=O)CCn2ncn(C)c2=O)CC1 1201775650 XPDFQJCMFMMZIY-UHFFFAOYSA-N 305.382 -0.424 30 20 DBED C=CCNCC1CCN(C(=O)CS(=O)(=O)N(C)C)CC1 1206904570 BBALXFYNCNJDHN-UHFFFAOYSA-N 303.428 -0.108 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)c2cnnc(O)c2)C1 1208380780 JFHNIKLAFBVGAR-LBPRGKRZSA-N 317.349 -0.874 30 20 DBED C#CCCN[C@H]1CCCN(C(=O)CCCS(N)(=O)=O)C1 1209358064 XSPBCRNCDWTQTO-LBPRGKRZSA-N 301.412 -0.341 30 20 DBED COCC#CCN1C[C@@H](NC(=O)Cn2cccn2)[C@H](OC)C1 1211842522 WRJMSKZFYLCASC-ZIAGYGMSSA-N 306.366 -0.652 30 20 DBED COCC#CCN1C[C@@H](NC(=O)CSCC#N)[C@H](OC)C1 1211886687 USIVWJWFJPXAIC-CHWSQXEVSA-N 311.407 -0.292 30 20 DBED C#CCCCCC(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1OC 1212143761 OVSYHGXDMNFFMO-ZIAGYGMSSA-N 320.393 -0.365 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(Cc2nc(O)n[nH]2)C[C@H]1OC 1212187026 HYDVRGXYSPAJTF-GHMZBOCLSA-N 307.354 -0.371 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N1C[C@H]2[C@@H](C1)OCCN2C(C)=O 1217152373 HSKYLHJDSDORFC-KGYLQXTDSA-N 324.381 -0.682 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CN(C)C(=O)C1CC1 1218066323 UKHDZMGUWZFTLD-LSDHHAIUSA-N 319.405 -0.210 30 20 DBED C=CCN(CC=C)C(=O)CN1C[C@H](O)[C@H](NC(=O)[C@H](C)C#N)C1 1219383531 SUGPYURRVBZKPZ-MCIONIFRSA-N 320.393 -0.492 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@H](C)NC(=O)c2ccoc2)C1 1219686850 WXVSIIUHZBBAJJ-YUTCNCBUSA-N 319.361 -0.418 30 20 DBED CC[C@@H](C(=O)N1C[C@H]2CCN(CC(=O)NCC#N)C[C@H]21)N(C)C 1221816436 VKCWIVDICSZYCP-HZSPNIEDSA-N 321.425 -0.501 30 20 DBED C=CCNC(=O)CN1CC[C@@H]2CN(C(=O)Cc3nc[nH]n3)[C@@H]2C1 1221938230 XENATWQAYYFPBT-VXGBXAGGSA-N 318.381 -0.818 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3nonc3C)[C@@H]2C1 1222103313 ZKXGMIVYIJUEJF-VXGBXAGGSA-N 317.349 -0.726 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)C[C@H]2CCOC2)CC1 1222700909 LLLGFQCTHVWQMD-OAHLLOKOSA-N 321.421 -0.009 30 20 DBED CCn1cc(C(=O)NC2CCN(CC(=O)NCC#N)CC2)cn1 1226617353 GBSDRNLQZVOIJT-UHFFFAOYSA-N 318.381 -0.263 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)[C@H](C)n1cccn1 1230848387 FQELZZGIKYSCRP-UONOGXRCSA-N 317.393 -0.274 30 20 DBED CN(C[C@H]1CCN1CC(=O)NCC#N)C(=O)c1ccnn1C 1231070986 SKGDYHNIFHEWFN-LLVKDONJSA-N 304.354 -0.794 30 20 DBED C[C@@H](C#N)C(=O)N(C)C[C@H]1CCN1CCN1C(=O)CCC1=O 1231293190 KCGOUULODRTFCJ-NWDGAFQWSA-N 306.366 -0.172 30 20 DBED C#CCSCCNC(=O)C(=O)N1CC(c2nc(C)no2)C1 1261092450 CMWTXMZEVRJIEQ-UHFFFAOYSA-N 308.363 -0.214 30 20 DBED C=CCn1cc(C(=O)N2C[C@@H](CO)C[C@H](OCCOC)C2)nn1 1261500864 ISMUSJYOIPPMQQ-STQMWFEESA-N 324.381 -0.050 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)c2ccncc2F)C1 1266310144 DPTOLYLKEWDUGB-LLVKDONJSA-N 304.325 -0.226 30 20 DBED CC(C)N(C)S(=O)(=O)NCCN/C(O)=C1/N=CC=CC1=O 1318359723 MDISXPDMNIGBJA-QXMHVHEDSA-N 316.383 -0.313 30 20 DBED CC[C@H](CCO)NC(=O)NCCN/C(O)=C1/N=CC=CC1=O 1318663904 YZOXTWOSVSSZGF-JBEXSADBSA-N 310.354 -0.027 30 20 DBED CC(C)(O)CCNC(=O)NCCN/C(O)=C1/N=CC=CC1=O 1321421246 UVLGNUTUKOFIPX-QXMHVHEDSA-N 310.354 -0.027 30 20 DBED C#CCNC(=O)COC(=O)Cn1nc2n(c1=O)CCCCC2 1321578655 GCQHQBFUIINCFA-UHFFFAOYSA-N 306.322 -0.936 30 20 DBED N#Cc1ccc(CNC(=O)C(=O)N2CCn3ncnc3C2)cc1 1322215155 DQIBIPHZFGFSDA-UHFFFAOYSA-N 310.317 -0.192 30 20 DBED C#CCCCNC(=O)C(=O)NC[C@@H]1CCCCS1(=O)=O 1324397667 RKFKMPMBVAOLHV-NSHDSACASA-N 300.380 -0.401 30 20 DBED C=CCN(CC=C)C(=O)C(=O)N1CCN(CC(=O)N(C)C)CC1 1324770653 BUPDEUKSSVYMPC-UHFFFAOYSA-N 322.409 -0.581 30 20 DBED O=C1C=CC=N/C1=C(\O)NCCC(=O)N(CCO)CC(F)F 1325000252 ZLCFTPGVNVAYTJ-SEYXRHQNSA-N 317.292 -0.011 30 20 DBED C[C@H](NC(=O)C(=O)N1CC[C@@](O)(CC#N)C1)C1=CCN(C)CC1 1326436433 BWKOWLSFMKCPNA-LRDDRELGSA-N 320.393 -0.370 30 20 DBED C=CC[C@H](NC(=O)CNS(=O)(=O)N(C)C)C(=O)OCC 1328271148 FUHMNHMKXZYTOV-VIFPVBQESA-N 307.372 -0.994 30 20 DBED N#CCCCNC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 1331108044 SQHIPKOYZMMJNX-CYBMUJFWSA-N 308.382 -0.224 30 20 DBED CN(C)c1nc(CNC(=O)C(=O)N2CCO[C@@H](C#N)C2)cs1 1342289709 SCTBFPDKXDVPIZ-JTQLQIEISA-N 323.378 -0.424 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CCC[C@H](Cn2ccnn2)C1 1343070777 SGMUAXQHCRMRRL-QWHCGFSZSA-N 321.381 -0.166 30 20 DBED CN(C)C(=O)c1cccc(S(=O)(=O)NCC(=O)NCC#N)c1 1345399647 JPHGRTBTKNKDAV-UHFFFAOYSA-N 324.362 -0.694 30 20 DBED CC(=O)N1CCCN(C(=O)C(=O)Nc2ccc(C#N)cn2)CC1 1347656155 ACTKFOOMYUBNJD-UHFFFAOYSA-N 315.333 -0.027 30 20 DBED Cc1onc(CC(=O)NCCNC(=O)c2cnccn2)c1C#N 1347739394 VMMDIYJMXQUGJB-UHFFFAOYSA-N 314.305 -0.267 30 20 DBED C#CCSCC(=O)N(C)Cc1nnc2n1CCN(C)C2=O 1349222768 MNPPCCJPSCCMBY-UHFFFAOYSA-N 307.379 -0.312 30 20 DBED Cc1c(Br)c(C(=O)NCC(=O)NCC#N)nn1C 1354968363 BLRHJZOMHGURIX-UHFFFAOYSA-N 314.143 -0.139 30 20 DBED CCCN(CC(=O)N(C)C)C(=O)Cn1cc(C#N)c(O)nc1=O 1362137920 NLKUKPJXVHAQMW-UHFFFAOYSA-N 321.337 -0.853 30 20 DBED CC[C@@H](CCO)CNC(=O)CCn1cc(C#N)c(O)nc1=O 1362258664 SYGWCWBVSBOFKT-JTQLQIEISA-N 308.338 -0.265 30 20 DBED Cn1nnc(CN(CCNC(=O)c2cc(C#N)c[nH]2)C2CC2)n1 1366735721 VVRPOSAXMOXRPQ-UHFFFAOYSA-N 314.353 -0.196 30 20 DBED C=C(Cl)CNC[C@@H](O)CNC(=O)[C@@H]1CCS(=O)(=O)C1 1379230682 ZCVRYMODTYDKIQ-NXEZZACHSA-N 310.803 -0.760 30 20 DBED Cc1nc(N(C)CCNC(=O)Cn2ncnn2)ccc1C#N 1387816974 TVTCKQACFNXQBC-UHFFFAOYSA-N 300.326 -0.499 30 20 DBED CCN(CCNC(=O)CNS(=O)(=O)CC)C(=O)[C@@H](C)C#N 1398093382 DHCDDPODJZEYOQ-JTQLQIEISA-N 318.399 -0.950 30 20 DBED CCN1CCCN(C(=O)Cn2cc(C#N)c(O)nc2=O)[C@@H](C)C1 1413061467 RWCMXVGEGAKLAF-NSHDSACASA-N 319.365 -0.237 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(N(CCO)Cc2nnnn2C)CC1 1417861068 MAGVDFYFBWJNLW-NSHDSACASA-N 321.385 -0.845 30 20 DBED C[C@H](C#N)C(=O)NC1(CNCc2nc(=O)n(C)[nH]2)CCCC1 1419290056 PTRQXHMGMJWICO-SNVBAGLBSA-N 306.370 -0.213 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNCC(=O)NCc1ccccc1 1420111468 OKCXJHRUYDKDRR-JSGCOSHPSA-N 318.377 -0.471 30 20 DBED COc1cc(C(=O)N(C)C[C@H](O)CNC(=O)[C@@H](C)C#N)nn1C 1425838637 QWPAIBHXMBVWGG-VHSXEESVSA-N 323.353 -0.863 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CCCN1C(=O)c1ccc(C(N)=O)[nH]1 1429765048 HHGNHXHJODLLKW-NXEZZACHSA-N 317.349 -0.006 30 20 DBED C[C@H](C#N)C(=O)NCCN(C(=O)CS(C)(=O)=O)C1CC1 1429942073 BILWXIDONRSPCK-SECBINFHSA-N 301.368 -0.702 30 20 DBED COCCN(CCNC(=O)Cn1cccn1)C(=O)[C@@H](C)C#N 1444949739 OLSDIOYQSXNGKR-LBPRGKRZSA-N 307.354 -0.366 30 20 DBED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CC(O)(CC#N)C1 1447922367 JQYADUBJHDQRLE-SNVBAGLBSA-N 313.354 -0.251 30 20 DBED COC(=O)NCC(=O)NC[C@@H]1CCCN(C(=O)[C@H](C)C#N)C1 1454430138 FXDRIAOBOMKWLD-MNOVXSKESA-N 310.354 -0.143 30 20 DBED CS(=O)(=O)CC1(CNC(=O)Cn2cnc(C#N)n2)CCC1 1469045189 KOAYPFDUWHRILB-UHFFFAOYSA-N 311.367 -0.519 30 20 DBED CCn1nc(C(=O)N2CC[C@@H](NC(=O)[C@H](C)C#N)C2)ccc1=O 1491872527 FROPAYJNOOPPMU-GHMZBOCLSA-N 317.349 -0.246 30 20 DBED CNC(=O)NCCC(=O)N[C@@](C)(CNC(=O)[C@@H](C)C#N)C1CC1 1499629070 KQNQICJZSPDNMU-BONVTDFDSA-N 323.397 -0.134 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCN(C[C@H](O)COC)C2)nn1 1566675140 OFBZIWGOWMZSJT-NEPJUHHUSA-N 309.370 -0.725 30 20 DBED C=CCCC(=O)N[C@@H](C)CN[C@@H](C)C(=O)NCc1cnn[nH]1 1575087667 JSYBISOEBGGPFR-QWRGUYRKSA-N 308.386 -0.130 30 20 DBED C[C@@H]1CC[C@H](NC(=O)CCn2cc(C#N)c(O)nc2=O)CN1 1576657075 MFRSXEXPSSPIBB-KOLCDFICSA-N 305.338 -0.533 30 20 DBED CNC[C@@H](O)[C@@H](C)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 1578640358 GXIJBYKZJWGJGB-TZMCWYRMSA-N 317.393 -0.182 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N1CCC[C@H](C(=O)O)C1 1588389865 CUILJBRRLFSJGC-RYUDHWBXSA-N 310.350 -0.146 30 20 DBED N#Cc1c[nH]cnc1=NCCNc1ncccc1-c1nn[nH]n1 1592704058 QONVZMCORNOISR-UHFFFAOYSA-N 308.309 -0.131 30 20 DBED N#C[C@H]1CC[C@@H](NC(=O)C(=O)N2CCO[C@H](CC(=O)O)C2)C1 1601078999 BIQJTYHBLPRPDS-HBNTYKKESA-N 309.322 -0.503 30 20 DBED N#Cc1ccc2c(c1)CN(C(=O)C(=O)NC[C@H](F)C(=O)O)C2 1601115136 KRGBNOHWIPPZIN-NSHDSACASA-N 305.265 -0.061 30 20 DBED CN(Cc1nnc(O)o1)c1cnc(-c2nn[nH]n2)c(C#N)n1 1604824046 SPWWHVJHTTZQQO-UHFFFAOYSA-N 300.242 -0.747 30 20 DBED N#CCNC(=O)CN[C@@H](CNC(=O)CC1(O)CCC1)C1CC1 1752462425 FTLJALNKMJULNM-LBPRGKRZSA-N 308.382 -0.584 30 20 DBED CO[C@H]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](NCC(=O)NCC#N)C1 1752640384 YQLNYMGSGPFITE-CYDGBPFRSA-N 308.382 -0.322 30 20 DBED C#CCNC[C@H]1CCN(C(=O)C(C)(C)NS(C)(=O)=O)C1 1752955355 GOMXKTGQDTVPJQ-LLVKDONJSA-N 301.412 -0.615 30 20 DBED CN(Cc1nnnn1C)[C@H]1CCCN(C(=O)CSCC#N)C1 1752987125 LJKVLRCJNKBJAK-NSHDSACASA-N 323.426 -0.110 30 20 DBED C=CCOCCN1CC[C@@H](CNC(=O)CN2CCNC(=O)C2)C1 1753131606 YVAFPITYGAOTLY-AWEZNQCLSA-N 324.425 -0.941 30 20 DBED C#CCNC(=O)[C@H](C)NCCN(C)C(=O)CNC(=O)C(C)(C)C 1753259913 TXXDCTNLMCRDED-LBPRGKRZSA-N 324.425 -0.665 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@H](N(C)C(=O)c2ncn(C)n2)C1 1753435344 QOUZLTQXDIHHHZ-RYUDHWBXSA-N 318.381 -0.901 30 20 DBED C=CCN1CC[C@@H](N2CC[C@H](N(CC)C(=O)CC(N)=O)C2)C1=O 1753455910 XMJTZYSEAWNLSI-QWHCGFSZSA-N 322.409 -0.429 30 20 DBED C#CCNC[C@@H](O)CNC(=O)[C@@H]1CCCC[C@@H]1N1CCCC1=O 1753914215 PYHJEKJXIHJAGK-KFWWJZLASA-N 321.421 -0.133 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2CN(C(=O)c3cocn3)C[C@H]2C1 1754839726 CAGVVSALUXSUAG-RWMBFGLXSA-N 316.361 -0.184 30 20 DBED N#CCNC(=O)CN1C[C@H]2CN(C(=O)COCC3CC3)C[C@H]2C1 1754841723 WBNGPIYTQIKNTB-OKILXGFUSA-N 320.393 -0.557 30 20 DBED C#CCNCC[C@H]1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)C1 1754935043 GBNJZNMCHFKBRN-ZDUSSCGKSA-N 318.377 -0.612 30 20 DBED C=CCCN1CCOC[C@H]1CNC(=O)CC[C@H]1NC(=O)NC1=O 1754974013 HZIBWFNUZDHOMR-VXGBXAGGSA-N 324.381 -0.632 30 20 DBED C#CCNCC1(O)CCN(C(=O)[C@H](CCCC)NC(N)=O)CC1 1755155975 KKXQSESTVCIHLG-ZDUSSCGKSA-N 324.425 -0.210 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)c2ccn(C)n2)C[C@H]1C 1755166146 WCAKGBLJYBVHBL-CHWSQXEVSA-N 317.393 -0.248 30 20 DBED COc1cc(CCC(=O)NC2(CCO)CN(CC#N)C2)on1 1755333996 QSTFHFMVOJXAQE-UHFFFAOYSA-N 308.338 -0.308 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H](C)CN(C)C(=O)c1cnc(C)n1C 1755601049 JCMLYJDIRLYQAI-NEPJUHHUSA-N 319.409 -0.083 30 20 DBED C#CCN1CCC(C(=O)NC[C@H](CO)NCc2ccon2)CC1 1755647606 NKTDKOBOUHEACT-OAHLLOKOSA-N 320.393 -0.414 30 20 DBED CC(C)(O)CC(=O)N[C@]12CCC[C@H]1N(CC(=O)NCC#N)CC2 1755700178 ZPUDEWLPAKSCEZ-WBMJQRKESA-N 322.409 -0.100 30 20 DBED C=C(C)CCNC[C@@H](O)CN(C)C(=O)[C@@H]1CCCS1(=O)=O 1755796362 PICKNWXXAQUMSL-OLZOCXBDSA-N 318.439 -0.061 30 20 DBED C[C@H](CNC(=O)C#CC1CC1)N(C)C(=O)c1cn(C)c(=O)n1C 1756025628 PZHJSPKHDJVMKM-LLVKDONJSA-N 318.377 -0.286 30 20 DBED C=C[C@@](C)(O)CC(=O)N1C[C@H]2[C@H](CNC(=O)CNC(C)=O)[C@H]2C1 1756188854 VSCBBEOTMMNFEZ-NFFDBFGFSA-N 323.393 -0.730 30 20 DBED C=CC[C@H](C(=O)NC[C@H](CO)NC(=O)C(N)=O)c1ccccc1 1756526686 WOKIBQJTJKBNIA-OLZOCXBDSA-N 319.361 -0.575 30 20 DBED C[C@@H]1CCN(C(=O)CSCC#N)C[C@@H]1CNC(=O)C(N)=O 1756801270 KLJRQUBEQFIMJH-ZJUUUORDSA-N 312.395 -0.671 30 20 DBED C=C(C)C[C@H](C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ncn(C)n2)C1 1756992949 JITGRCHVOYXMCQ-QJPTWQEYSA-N 321.381 -0.281 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@H](NC(=O)c2[nH]c(O)nc2C)C1 1757183365 JVCJPTAJKXGVKN-ZJUUUORDSA-N 308.338 -0.309 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H]1C[C@@H](CNC(=O)c2cnn(C)n2)C1 1757324058 JQEFILQODHSKFP-UTUOFQBUSA-N 319.365 -0.522 30 20 DBED N#CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1CC1 1793258872 VTUZTWJAIDWRCS-YWVIFJGQSA-N 301.346 -0.097 30 20 DBED N#CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1CCC(=O)N1)C2 1795461675 XOQITDFDUMXYHF-USZNOCQGSA-N 304.350 -0.183 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)C1(O)CCC1)C2 1800452789 ZXJRKCXRUQUYHV-XPCVCDNBSA-N 320.389 -0.240 30 20 DBED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1C[C@@H](O)C1)C2 1802021389 IZWHWMOJDDUKES-NFCZVNRYSA-N 320.389 -0.240 30 20 DBED C#CCNC(=O)COC(=O)Cn1nnc(-c2ccc(C)cc2)n1 7711478 KIBKFFBQRGFASA-UHFFFAOYSA-N 313.317 -0.059 30 20 DBED C#Cc1cccc(NC(=O)C(=O)N2CCO[C@H](C(N)=O)C2)c1 51890709 ZHLZHVYJXZHHEQ-LBPRGKRZSA-N 301.302 -0.681 30 20 DBED CCN1CCN(CC(=O)[C@H](C#N)c2ccccn2)C(=O)C1=O 76321531 MFAYHGPZDGBYCA-LLVKDONJSA-N 300.318 -0.051 30 20 DBED CN1CCO[C@@H]2CN(CC(=O)N(CCC#N)CCC#N)C[C@@H]21 121135955 MANOYVSRYXUXRY-UONOGXRCSA-N 305.382 -0.343 30 20 DBED CCN(C[C@@H](C)C#N)C(=O)Cn1c(=O)c(C#N)cn(C)c1=O 134705211 GHOBZDSXJVPJSY-JTQLQIEISA-N 303.322 -0.573 30 20 DBED C=CCn1nnn(CN2CCO[C@@H](CNC(C)=O)C2)c1=S 172168483 LJMBTAAGGCMYKI-NSHDSACASA-N 312.399 -0.211 30 20 DBED CC[C@@H](CC#N)NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 183923089 KLXLTRBKUGLNOC-VIFPVBQESA-N 318.337 -0.758 30 20 DBED C#CCNC(=O)CCc1c(C)[nH]c(N2CCOCC2)nc1=O 198785519 ZYGBHLGKXQXBEC-UHFFFAOYSA-N 304.350 -0.403 30 20 DBED N#Cc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)O)s1 230324003 WSEJZGVNHDSLTG-SVRRBLITSA-N 302.333 -0.172 30 20 DBED COCCNC(=O)CNS(=O)(=O)c1ccc(F)cc1C#N 269659605 KYPHTFBCQCMIFO-UHFFFAOYSA-N 315.326 -0.262 30 20 DBED CCCC(=O)N1CSC[C@H]1C(=O)NCCn1cnc(C#N)n1 286692533 CSLSGSHNNOCOBK-JTQLQIEISA-N 322.394 -0.032 30 20 DBED CN1CCN(C(=O)CC/N=C(/O)N2CCCN(C)CC2)CC1 328775797 HZXUBYYHJQTMPH-UHFFFAOYSA-N 311.430 -0.298 30 20 DBED O=C(C/N=C(/O)N1CCC[C@H](n2cncn2)C1)N1CCOCC1 329187093 BAOCEPQNSHRTMB-LBPRGKRZSA-N 322.369 -0.312 30 20 DBED COCCN1CCN(S(=O)(=O)N(C)C[C@@H](C)C#N)C[C@@H]1C 330376573 DOIOZNSAXDCLRP-STQMWFEESA-N 318.443 -0.025 30 20 DBED COCCN1CC[C@H](N/C(O)=N/CC(=O)N2CCOCC2)C1 330678355 KBWLVWGPSOADLQ-LBPRGKRZSA-N 314.386 -0.931 30 20 DBED C[C@](O)(CNS(=O)(=O)N1CCO[C@@H](C#N)C1)C(F)(F)F 336887941 LBOHJBYLTBPFML-YUMQZZPRSA-N 317.289 -0.642 30 20 DBED COCCN(CCC#N)S(=O)(=O)NC[C@]1(O)CCSC1 337082176 ZENXOAMDIQFIIA-LLVKDONJSA-N 323.440 -0.449 30 20 DBED CCN([C@@H]1CCNC1=O)S(=O)(=O)N(CCC#N)CCOC 337206001 LTCYYHZEBYTXQT-LLVKDONJSA-N 318.399 -0.696 30 20 DBED COC(=O)CSCCNS(=O)(=O)N(C)[C@H](C)CC#N 337872943 SGLLVJGWAGBTCH-SECBINFHSA-N 309.413 -0.039 30 20 DBED COCCOCCN(C)S(=O)(=O)N1CCO[C@@H](C#N)C1 341969469 PFPAYZNYKSVJMR-NSHDSACASA-N 307.372 -0.950 30 20 DBED CO[C@H]1CN(CC#CCN2C[C@H](OC)[C@H](OC)C2)C[C@H]1OC 342127259 KKISPJSORPNZTC-GEEKYZPCSA-N 312.410 -0.319 30 20 DBED C=CC[C@H](CO)CNC(=O)c1ccnc2c(C(N)=O)cnn12 342230579 YISSFIUMWHDBMG-VIFPVBQESA-N 303.322 -0.257 30 20 DBED N#CCN1CCN(C(=O)CNC(=O)c2ncccc2O)CC1 352545352 WTPIXJQLMNYRAC-UHFFFAOYSA-N 303.322 -0.815 30 20 DBED Cc1onc(CC(=O)Nc2ccn(CC(=O)N(C)C)n2)c1C#N 354495361 PVTGTNGOYQHBMQ-UHFFFAOYSA-N 316.321 0.321 30 20 DBED N#Cc1ncn(CCNC(=O)Cn2nnc3ccccc3c2=O)n1 356322375 PIQWZWMXUZNKIK-UHFFFAOYSA-N 324.304 -0.929 30 20 DBED C=C[C@@H](C)NC(=O)N(CC)CC(=O)N[C@H]1CCS(=O)(=O)C1 361527608 IGJCWOCPIDUKKD-MNOVXSKESA-N 317.411 -0.104 30 20 DBED CNS(=O)(=O)CC(=O)N1CCC[C@@]2(CCCCO2)[C@@H]1C#N 373377346 NGTCDEBDOTWTEM-AAEUAGOBSA-N 315.395 -0.011 30 20 DBED COC(=O)[C@H]1CC[C@@H](NS(=O)(=O)N2CCO[C@H](C#N)C2)C1 410402144 AWNXGLSFLQXVCQ-HBNTYKKESA-N 317.367 -0.613 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCC(N)(CC)CC)C1=O 420081647 NYALOTDULFQBHF-GFCCVEGCSA-N 324.425 -0.135 30 20 DBED COC(=O)Cc1nnn(C[C@@H](O)COc2ccc(C#N)cc2)n1 432730917 MUPNHEDFAQZPEF-LLVKDONJSA-N 317.305 -0.300 30 20 DBED C=CCC[C@H](CO)NC(=O)NCCS(=O)(=O)NC(C)C 458121921 YLGDYMFFUXXFMW-LLVKDONJSA-N 307.416 -0.060 30 20 DBED Cc1cc(NC(=O)C(=O)N2CCN(C)C(=O)C2)nn1CCC#N 535063203 GSEAUCDMRJGRCA-UHFFFAOYSA-N 318.337 -0.656 30 20 DBED CN(C)[C@H]1CN(S(=O)(=O)c2ccc(F)c(C#N)c2)C[C@@H]1O 590585663 HLXVDXXOZRVKPA-STQMWFEESA-N 313.354 -0.007 30 20 DBED CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)N1CC[C@](O)(CC#N)C1 592846936 SSWVEYVLQPVFPW-GXFFZTMASA-N 317.411 -0.173 30 20 DBED C[C@@H](C[C@@H]1CCOC1)NC(=O)C(=O)N1CCN(CCC#N)CC1 602249760 BISWJRWTXASWMH-KBPBESRZSA-N 322.409 -0.024 30 20 DBED CC(C)[C@H](C#N)N1CCN(CC(=O)N2CCNC(=O)C2)CC1 609487077 WKZYFLDGQWEYNM-ZDUSSCGKSA-N 307.398 -0.889 30 20 DBED CS(=O)(=O)N1CCN(CCNC(=O)C2(C#N)CCC2)CC1 609874491 DFNSGOQWTYSQIM-UHFFFAOYSA-N 314.411 -0.626 30 20 DBED C=CCNC(=O)CNC(=O)[C@H](NS(=O)(=O)C1CC1)C(C)C 613293397 SRUWOFKNPIAECC-GFCCVEGCSA-N 317.411 -0.489 30 20 DBED C=C[C@](C)(O)C(=O)N1CC2CN(C(=O)[C@@](C)(O)C=C)CC2C1 615417124 FHRHGDSZFUNCNT-INCPQMAJSA-N 308.378 -0.223 30 20 DBED CC#CC[C@@H](CO)NC(=O)NCCCN1CCC[C@@H](C(N)=O)C1 645305028 KSQJZUTZACXBIA-KGLIPLIRSA-N 324.425 -0.353 30 20 DBED CC#CC[C@H](CO)NC(=O)Cc1ccc(S(N)(=O)=O)s1 649191316 PPHPCMVOIJPCEU-SECBINFHSA-N 316.404 -0.172 30 20 DBED COc1nc2sccn2c1C=NNC(=S)NCC(N)=O 731930376 WOQGMICRSJLEJE-UHFFFAOYSA-N 312.380 -0.312 30 20 DBED CN1CC[C@@H](C(=O)NS(=O)(=O)CC2(C#N)CCCC2)C1=O 774305255 RDOPLGWYYHFTMH-JTQLQIEISA-N 313.379 -0.005 30 20 DBED CCCS(=O)(=O)CC(=O)OCC(=O)NC1(C#N)CCC1 784214386 WIXIWXGRYJOUOQ-UHFFFAOYSA-N 302.352 -0.083 30 20 DBED C#CCNS(=O)(=O)N1CCN(CC[C@@H]2CCCO2)CC1 787272506 SZGCHINVOSUJRM-ZDUSSCGKSA-N 301.412 -0.359 30 20 DBED CC1(CNC(=O)C(=O)NCCNc2ccc(C#N)cn2)COC1 806014006 KTSKWTCOMMOGQW-UHFFFAOYSA-N 317.349 -0.366 30 20 DBED Cn1[nH]cc2c(=NC(=O)NCCn3cnc(C#N)n3)ccnc1-2 806483023 XVKCNTAOODNQAM-UHFFFAOYSA-N 311.309 -0.373 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C)[C@H]1CCCO1 809313542 VLFLGGVPUITNTQ-SPWCGHHHSA-N 319.405 -0.118 30 20 DBED CCOC(=O)c1cc(S(=O)(=O)O[C@H]2CNOC2)cn1C 809381514 XBRARYCKPHWHMU-QMMMGPOBSA-N 304.324 -0.190 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 844016082 RQUQHQWPTAXIJQ-QMTHXVAHSA-N 303.322 -0.360 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)[C@@H](CO)NC(=O)OC(C)(C)C 860082817 FDNAWFHIAQVVLW-VHSXEESVSA-N 314.338 -0.447 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N[C@H](C)Cn1cccn1 875060555 PBAIKTJIFZUJLO-CHWSQXEVSA-N 306.366 -0.068 30 20 DBED N#Cc1ccc(S(=O)(=O)N2CC(N3CCCC3=O)C2)cn1 907737206 CQASZDDXSZYVLL-UHFFFAOYSA-N 306.347 -0.051 30 20 DBED C=C[C@H](O)C(=O)N1CCN(C[C@H]2CCCS2(=O)=O)CC1 913125694 ZCVDPDJHMHIRSL-NEPJUHHUSA-N 302.396 -0.745 30 20 DBED C#CCOc1ccc(C(=O)N2CC[C@H](NC(=O)C(N)=O)C2)cc1 938583745 ANAORQYUKVUOBK-LBPRGKRZSA-N 315.329 -0.485 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@H](N(C)C(=O)Cn2cnnn2)C1 939007401 YEAVGTBXMLRZIT-NSHDSACASA-N 306.370 -0.055 30 20 DBED C=CCN1CC[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)[C@H](C)C1 943235402 ZNCRPYOEYQFULB-YPMHNXCESA-N 320.393 -0.290 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCN([C@H]2CCN(C)C2=O)CC1 948825601 IGKUNAQAPCUWCF-GJZGRUSLSA-N 318.421 -0.541 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]1CNC(=O)c1ccc(C(N)=O)o1 951309123 ANVLWJCMGMYRAV-IUCAKERBSA-N 304.306 -0.131 30 20 DBED C#CCN1C[C@H](CNC(=O)c2ncccc2NC(C)=O)[C@@H](O)C1 958127436 YRRCAIRXIOVWQC-JSGCOSHPSA-N 316.361 -0.304 30 20 DBED C=CCCN1C[C@H](O)[C@H](CNC(=O)c2cc(=O)n(C)cn2)C1 958150208 ZWKTUNUNPCBOGA-YPMHNXCESA-N 306.366 -0.621 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2[C@@H]3CN(CCn4cncn4)C[C@@H]32)[nH]1 958590610 SCEKQRJZJIFBEO-IMRBUKKESA-N 311.349 -0.162 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2csc(COC)n2)C1 958744615 RFPWNHAEIGKIDJ-CMPLNLGQSA-N 309.391 -0.055 30 20 DBED CC#CCN1C[C@H]2[C@H](NC(=O)c3cnc(O)n(C)c3=O)[C@H]2C1 961457170 MFIRHCMXNDRHQO-GDNZZTSVSA-N 302.334 -0.831 30 20 DBED C#CCN1CCC(C(=O)NC2[C@@H]3CN([C@@H](C)C(N)=O)C[C@@H]23)CC1 962777399 OLJJGUCYNQBBMI-IACUBPJLSA-N 318.421 -0.748 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(=O)n(C)o1 968908039 FPFOTJRVZYKCDP-GARJFASQSA-N 318.333 -0.047 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@@H](N[C@H]2CCN(C)C2=O)C1 968956265 HHXCDSIRUMRVQK-ILXRZTDVSA-N 318.421 -0.495 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)c3cc(C(N)=O)c[nH]3)C2)C1 972615946 UYJMMGDFSFMCPA-INIZCTEOSA-N 316.361 -0.336 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)[C@@H]3CCCN3C(C)=O)C2)C1 972644360 XEYRIZYRSHWHGX-DOTOQJQBSA-N 319.405 -0.066 30 20 DBED CN(C)CCn1ccc(C(=O)NCC2[C@H]3CN(CC#N)C[C@H]23)n1 978180867 OXSNSSZMELDBBF-ZIAGYGMSSA-N 316.409 -0.124 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2C[C@H](CNC(=O)c3nc[nH]n3)C2)[nH]1 980143372 NZRDIBQDZVKZMT-CZMCAQCFSA-N 313.321 -0.057 30 20 DBED C=CCN[C@@H]1CCC[C@@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)C1 981365685 VDJQNCZRZBWZRB-GHMZBOCLSA-N 322.365 -0.390 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)C(N)=O)C2)cn1 983198358 JPVYRWZPCCBKKV-JTQLQIEISA-N 300.318 -0.874 30 20 DBED C#CCN[C@H]1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)[C@@H]1C 987193242 YHYQKNHVVZYKLQ-NEPJUHHUSA-N 304.350 -0.861 30 20 DBED CC1(C)CN(C(=O)[C@@H]2CCc3nnc(O)n3C2)C[C@H]1NCC#N 995983047 WKYJIAYIRRTDIZ-GHMZBOCLSA-N 318.381 -0.104 30 20 DBED C#Cc1ccccc1CC(=O)NC1CN(C(=O)c2nc[nH]n2)C1 997247981 SFGCVMKFIPSEJX-UHFFFAOYSA-N 309.329 -0.031 30 20 DBED CN(C(=O)C1(n2cnnn2)CCOCC1)C1CC(NCC#N)C1 999537598 IZTJHIQCUIOIIV-UHFFFAOYSA-N 319.369 -0.719 30 20 DBED C=CCCN1CCC[C@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)C1 1008729250 VZOCUZQNXVKBJC-NSHDSACASA-N 322.365 -0.436 30 20 DBED C#CCOc1ncccc1C(=O)N[C@H]1CCCN(CC(N)=O)C1 1009264959 WIBGTHGWMUDOHC-LBPRGKRZSA-N 316.361 -0.227 30 20 DBED Cn1oc(C(=O)N2CCN(C(=O)C#CC3CC3)CC2)cc1=O 1011053365 SGXQBKXTZRRPCP-UHFFFAOYSA-N 303.318 -0.324 30 20 DBED Cc1c(C(=O)NC2[C@@H]3CN(C(=O)[C@@H](C)C#N)C[C@@H]23)nnn1C 1012899996 CRMCZNGAEPUOMZ-FXBDTBDDSA-N 302.338 -0.530 30 20 DBED CC#CCN1CC[C@H](NC(=O)[C@H]2CC(=O)N(CCOC)C2)C1 1014639214 XCQCRYYPOASBEO-KBPBESRZSA-N 307.394 -0.305 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCN(C(=O)[C@@]3(C)CNC(=O)C3)C2)C1 1019364674 JNSFQBNNBASXTH-IAQYHMDHSA-N 318.377 -0.267 30 20 DBED C#CCN1[C@H]2CC[C@H]1CC(NC(=O)[C@H]1CCS(=O)(=O)N1)C2 1021463028 OUNDGRJEINPIJW-RWMBFGLXSA-N 311.407 -0.577 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)C(N)=O)[C@@H]2C1 1022556421 NSXQFBIANVLXFN-QCNOEVLYSA-N 307.350 -0.878 30 20 DBED CC(=O)N1CCO[C@@H](C(=O)N2CCC[C@@H](N(C)CC#N)C2)C1 1027666744 JALUBOXZQCWVOA-ZIAGYGMSSA-N 308.382 -0.320 30 20 DBED CC#CCN1[C@H]2CC[C@H]1CN(C(=O)Cn1cnc(C(N)=O)n1)C2 1029314551 YOHLPRRPBPFALB-RYUDHWBXSA-N 316.365 -0.925 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)[C@@H]3CCNC(=O)C3)C2)C1=O 1030213973 GUPJWWRUOHJTEX-DGCLKSJQSA-N 320.393 -0.900 30 20 DBED CC(=O)N1CCO[C@H](C(=O)N[C@H]2CCCCN(CC#N)C2)C1 1034509556 YNAQEIHUNYESOQ-KBPBESRZSA-N 308.382 -0.272 30 20 DBED C=CCN1CC[C@H]2CN(C(=O)CN3C(=O)CNC3=O)CC[C@@H]21 1036888437 IVFMQFHFJPUETP-RYUDHWBXSA-N 306.366 -0.353 30 20 DBED C#CCN1CCC[C@]2(CCN(C(=O)CN3CC(=O)NC3=O)C2)C1 1040453358 MXFFGZIPDFSBKD-INIZCTEOSA-N 318.377 -0.514 30 20 DBED C#CCCCCCC(=O)NC[C@@]1(O)CCN(C(=O)CC(N)=O)C1 1040491029 NRUFQCCXWJDUHX-INIZCTEOSA-N 323.393 -0.475 30 20 DBED C=CCCCC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2CCC(=O)N2)C1 1040730090 WDFSVWYTSPOLEB-LRDDRELGSA-N 323.393 -0.299 30 20 DBED C[C@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)c2nccs2)C1 1040760022 LLRYQNAIEBLASY-RNCFNFMXSA-N 308.363 -0.004 30 20 DBED C[C@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)c2csnn2)C1 1040766777 SPNJKYRSCCEYGV-PRHODGIISA-N 309.351 -0.609 30 20 DBED C[C@@H]1CCO[C@@H]1C(=O)NC[C@]1(O)CCN(C(=O)C#CC2CC2)C1 1040941126 DAXFXPUOWSRVSC-ISTRZQFTSA-N 320.389 -0.096 30 20 DBED N#Cc1cncc(N2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)n1 1040956418 KCPGDGGFTHFRMF-CHWSQXEVSA-N 323.316 -0.472 30 20 DBED N#CCN1CC[C@]2(CCN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)C1 1041369084 VQLFRKPWDQVRHQ-HZMBPMFUSA-N 305.338 -0.968 30 20 DBED C=CCN1CC[C@]2(CCN(C(=O)CN3CC(=O)N(C)C3=O)C2)C1 1041785260 DPSFQKRQPXOELM-INIZCTEOSA-N 320.393 -0.009 30 20 DBED C#CCCN1CC[C@H]2CCN(C(=O)Cn3cnnc3O)C[C@H]21 1042022900 ZRORXIPTKRJVMF-QWHCGFSZSA-N 303.366 -0.070 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@@H]2C(=O)OC)C1 1042803035 QYTUCQDPZTZJQF-NEPJUHHUSA-N 322.361 -0.712 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2ccns2)C1 1043042905 YIURSRZYAFWPCK-JTQLQIEISA-N 323.374 -0.516 30 20 DBED N#Cc1cnc(N2C[C@H](O)[C@H](NC(=O)c3cocn3)C2)cn1 1043875470 XPFZRFONXFOALO-KOLCDFICSA-N 300.278 -0.684 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)c2cn(C)c(=O)cn2)C1 1044572810 VYHPDMIWAHTBQD-UHFFFAOYSA-N 320.349 -0.950 30 20 DBED Cc1nocc1C(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1045531833 LZIKEAVWVMXWEZ-UHFFFAOYSA-N 303.318 -0.300 30 20 DBED Cc1c(C(=O)N2CC(O)(CNC(=O)[C@@H](C)C#N)C2)ccn1C 1045552872 XHQNGWSQFFHLDI-JTQLQIEISA-N 304.350 -0.204 30 20 DBED N#CCN1CCC2(CC1)CO[C@@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)C2 1045681080 YCSCVLDWFCOESW-UPJWGTAASA-N 320.393 -0.381 30 20 DBED C=CCN1CC[C@@H](N2CCN(C(=O)[C@H]3CCCNC3=O)CC2)C1 1046037806 ZMGDEUUIFXBAOF-CABCVRRESA-N 320.437 -0.083 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)CC2=CCOCC2)C1 1046120348 WUQGCXDZKVGLPZ-UHFFFAOYSA-N 324.377 -0.385 30 20 DBED C[C@H]1CN(C)C[C@H]1C(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1046684934 NFVZXASXMKUEJO-GXTWGEPZSA-N 319.405 -0.713 30 20 DBED C#CCN1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2COC(=O)N2)C1 1046933511 DWDAHULXRGBHDF-UWVGGRQHSA-N 301.293 -0.199 30 20 DBED CC#CCN1C[C@H]2C[C@@H](NC(=O)CN3CCNC(=O)C3)C[C@H]1C2 1047125649 HGJCTRCOHYXZBA-RRFJBIMHSA-N 318.421 -0.589 30 20 DBED N#CCN1C[C@H]2C[C@H](NC(=O)CN3C(=O)CCC3=O)C[C@H]1C2 1047195387 IVHWVNOHNYYNFS-SDDRHHMPSA-N 304.350 -0.372 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)C(=O)N2CCC[C@@H](C)C2)C1 1047554338 BMLNSKXYAPMENY-RDBSUJKOSA-N 309.410 -0.066 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(OC)nn2)C1 1047587369 CQJVVMVSNSPRLS-STQMWFEESA-N 304.350 -0.374 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCN2C(=O)C(C)C)C1 1047632000 UXNFZVHNRNUTHM-KKUMJFAQSA-N 321.421 -0.230 30 20 DBED N#CCN1C[C@H]2CN(C(=O)c3coc(S(N)(=O)=O)c3)C[C@H]2C1 1048900629 KCBMNQCJNKTSPL-PHIMTYICSA-N 324.362 -0.546 30 20 DBED Cc1nnccc1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)C#N)C1 1049395511 VMJJIKWMPWUAJQ-XDTLVQLUSA-N 317.349 -0.412 30 20 DBED CNC(=O)CC(=O)N1CC[C@@H]([C@@H](C)NC(=O)C#CC2CC2)C1 1050539340 XPKFSVYUGJXGTI-DGCLKSJQSA-N 305.378 -0.111 30 20 DBED C[C@@H]1[C@@H](NC(=O)[C@H]2CNC(=O)N2)CCN1c1ccc(C#N)nn1 1050952201 MSWPHANGGOXSFG-DVVUODLYSA-N 315.337 -0.887 30 20 DBED C=C(Cl)CN1CCOC[C@@H]1CNC(=O)c1c[nH]c(=O)cn1 1051087315 OGEZPBIJGMBQTP-JTQLQIEISA-N 312.757 -0.047 30 20 DBED N#Cc1nccc(N2CC[C@H](NC(=O)c3cc[nH]n3)[C@@H](O)C2)n1 1051610311 ACYHTLJAGHSOAM-ONGXEEELSA-N 313.321 -0.559 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)[C@@H]1CCCN1C(N)=O)CCO2 1053550442 TUHVYQNCBWJITB-ZDUSSCGKSA-N 320.393 -0.534 30 20 DBED C=CCN1CC2(C[C@H](NC(=O)[C@@H]3COCCN3CC)CO2)C1 1053853552 ISDQCAJKLSFQTI-KBPBESRZSA-N 309.410 -0.147 30 20 DBED C=C(C)CN1CC2(C[C@H](NC(=O)CN3CCCNC3=O)CO2)C1 1053857455 FGYMUWIGCMWJOK-ZDUSSCGKSA-N 322.409 -0.063 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)[C@@H]3CCCN3C(N)=O)CO2)C1 1054024272 KKIPJGIURMQRMB-OLZOCXBDSA-N 320.393 -0.488 30 20 DBED C[C@@H]1CN(C(=O)c2ccc(-n3cnnn3)cn2)C[C@@H]1NCC#N 1054930858 UQRJZIJRVILPRU-MFKMUULPSA-N 312.337 -0.369 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CN(C(=O)CNC(=O)C3CC3)C[C@H]2C1 1055196343 PULFCBGMYOJKGD-WCFLWFBJSA-N 318.377 -0.411 30 20 DBED Cc1cc(C#N)nc(N2CCN(C(=O)c3cnn(C)n3)CC2)n1 1055851007 GIWVDYITSSCPLI-UHFFFAOYSA-N 312.337 -0.252 30 20 DBED N#Cc1cnc(N2C[C@H]3C(NC(=O)Cn4cccn4)[C@@H]3C2)cn1 1056140357 DUQRXMYLNLDGFI-VXGBXAGGSA-N 309.333 -0.204 30 20 DBED N#Cc1nc(=N[C@@H]2CCN(C(=O)CC3OCCCO3)C2)cc[nH]1 1056614504 QLAJXNDRMJQQJF-LLVKDONJSA-N 317.349 -0.064 30 20 DBED CN1C(=O)CC[C@@H]1C(=O)N1CC[C@@H](Nc2cnc(C#N)cn2)C1 1056758317 BNUIYUCQSYQFIJ-ZYHUDNBSSA-N 314.349 -0.018 30 20 DBED CCOCCC(=O)N(CCO)CCNC(=O)c1ccc(C#N)[nH]1 1057183031 JDXDVMKRCIRNSL-UHFFFAOYSA-N 322.365 -0.136 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)c1n[nH]c(C)c1C 1057193909 UIYIXIXPNPTHHC-UHFFFAOYSA-N 324.381 -0.220 30 20 DBED N#Cc1ccc(N[C@H]2CCCN(C(=O)[C@H]3CCNC3=O)C2)nn1 1057724348 GEZBCSMFOOMLMF-RYUDHWBXSA-N 314.349 -0.113 30 20 DBED C#CCCCCC(=O)NCCN(CCO)C(=O)c1[nH]nnc1C 1058275063 PTTGZFBVIGAFPG-UHFFFAOYSA-N 321.381 -0.143 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)Cc1cncnc1 1058652795 FPXGYVHOHVDUJI-LLVKDONJSA-N 305.338 -0.884 30 20 DBED Cc1cc(C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N)cnn1 1058653466 WDBWPQFNCOPLMH-JTQLQIEISA-N 305.338 -0.505 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)[C@]1(C)CCCOC1 1058654738 GPWRTEIQOBMNGT-IUODEOHRSA-N 311.382 -0.100 30 20 DBED N#Cc1nc(=N[C@H]2C[C@@H](NC(=O)C[C@H]3CCC(=O)N3)C2)cc[nH]1 1059673028 YEMRUUHYSITZOD-MXWKQRLJSA-N 314.349 -0.502 30 20 DBED C#CCCCC(=O)NC[C@@H]1COCCN1C(=O)CNC(=O)NC 1061534653 RGANNEUCIHNENH-GFCCVEGCSA-N 324.381 -0.938 30 20 DBED O=C(CN1CCCC1)NC[C@H]1COCCN1C(=O)C#CC1CC1 1061600347 MHWRRZUDFKZFEG-HNNXBMFYSA-N 319.405 -0.161 30 20 DBED C[C@@H](CC(N)=O)C(=O)NC[C@H]1COCCN1C(=O)C#CC1CC1 1061749955 OLLGCWKSPHAHAW-AAEUAGOBSA-N 321.377 -0.745 30 20 DBED C=CC(C)(C)C(=O)NC[C@H]1COCCN1C(=O)Cn1cnnn1 1061751694 AIPJMXYYFUXFLO-NSHDSACASA-N 322.369 -0.771 30 20 DBED CC(C)(C)C#CC(=O)NCC1(NC(=O)CNC(N)=O)CCC1 1062979112 KZSLMQCNYHMSEP-UHFFFAOYSA-N 308.382 -0.141 30 20 DBED CN(C(=O)[C@@H]1CCNC1=O)[C@H]1CCN(c2cnc(C#N)cn2)C1 1063004264 CLCXUKVLHHOKAQ-NWDGAFQWSA-N 314.349 -0.479 30 20 DBED Cc1nc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)Cn2cnnn2)ccc1C#N 1064221589 WUVAVLZXPGICRX-TYNCELHUSA-N 324.348 -0.358 30 20 DBED Cn1nncc1C(=O)N[C@@H]1[C@H]2C[C@H]1N(c1ccnc(C#N)n1)C2 1064250851 MCYBOOIMTLCNLO-IGJMFERPSA-N 310.321 -0.516 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(C(=O)Cc2cc[nH]n2)CCO1 1065004960 LFWDKDBGXLJZGA-AWEZNQCLSA-N 316.361 -0.291 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CN(C(=O)CCc2nc[nH]n2)CCO1 1065025380 KMPACYMTRYHFJH-WDEREUQCSA-N 320.353 -0.759 30 20 DBED CC(C)C#CC(=O)N1CCO[C@@H](CNC(=O)Cc2cnc[nH]2)C1 1065133299 RQEQPNNAZSJEQL-AWEZNQCLSA-N 318.377 -0.045 30 20 DBED C#CCOCCC(=O)N1CCO[C@H](CNC(=O)C#CC2CC2)C1 1065149386 AEBAGFGYNSZNKU-OAHLLOKOSA-N 318.373 -0.217 30 20 DBED Cc1nnc(CC(=O)NC[C@H]2CN(C(=O)[C@H](C)C#N)CCO2)o1 1065556926 LLHFBPMOWACMAF-KOLCDFICSA-N 321.337 -0.576 30 20 DBED C=CCO[C@H](C)C(=O)N(C)CCCN(C)C(=O)Cn1ncnn1 1067486272 FEUXOIIHJWTMLJ-GFCCVEGCSA-N 324.385 -0.429 30 20 DBED C#CCN1CCC(C(=O)N(C)CCCN(C)C(=O)C(N)=O)CC1 1067624507 HBRQKTSRQWFFHK-UHFFFAOYSA-N 322.409 -0.876 30 20 DBED C[C@@H](CC(N)=O)C(=O)N1CC2(C1)CN(C(=O)[C@H](C)C#N)CCO2 1068450819 YXLVKQPPDQZZTB-WDEREUQCSA-N 322.365 -0.903 30 20 DBED CCN(CC)CC(=O)N1CC2(C[C@@H](NC(=O)[C@H](C)C#N)CO2)C1 1069002708 HIFYMQCPDHTRQD-CHWSQXEVSA-N 322.409 -0.026 30 20 DBED CN(C(=O)Cn1ncnn1)C1CC(Nc2cnc(C#N)cn2)C1 1069774111 NHJHDUMZJQFBCA-UHFFFAOYSA-N 313.325 -0.564 30 20 DBED N#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)Cc2cc[nH]n2)C1 1069904637 JXNOHGSKAQLCGA-NEPJUHHUSA-N 300.326 -0.891 30 20 DBED C=CCOCC(=O)NC1(CNC(=O)c2nc[nH]n2)CCOCC1 1070036161 ANDVKJNSCCGRBY-UHFFFAOYSA-N 323.353 -0.598 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2cnsn2)C[C@@H]1n1ccnn1 1070148342 ZGWNAJGNZGBYQP-MNOVXSKESA-N 303.351 -0.582 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)Cn2ccnc2C)CC1 1071020539 IHVZGVSMMSQJKQ-UHFFFAOYSA-N 317.393 -0.525 30 20 DBED Cc1nonc1C(=O)N1CCC(=O)NCCN(CC#N)CC1 1071025557 MILOFLJVNCVYDY-UHFFFAOYSA-N 306.326 -0.834 30 20 DBED C#CCCN1C[C@@H](NC(=O)c2nnc(O)nc2O)CC[C@@H]1C 1071647064 DNSPTBKAWOMYOS-UWVGGRQHSA-N 305.338 -0.111 30 20 DBED C[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@@H]1NC(=O)Cn1ncnn1 1072063868 RCGZHTONUQZMSA-NEPJUHHUSA-N 318.381 -0.314 30 20 DBED C#CCC1(C(=O)N2C[C@H](C)[C@@H](NC(=O)C(N)=O)C2)CCOCC1 1072238629 YOHCUQRNNAVMGB-RYUDHWBXSA-N 321.377 -0.745 30 20 DBED CC1(C)CN(C(=O)C(N)=O)CC[C@H]1NC(=O)CSCC#N 1073318143 IKJLQULZXLCEAU-SECBINFHSA-N 312.395 -0.528 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](NC(=O)CC(N)=O)C(C)(C)C1 1073354982 CZLMMSQKBBVKRC-GFCCVEGCSA-N 323.393 -0.355 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)c3cn(C)c(O)n3)C[C@H]21 1074332509 YUMMDIQJPGTUIM-OLZOCXBDSA-N 304.350 -0.326 30 20 DBED O=C(C#CC1CC1)NCC1(O)CCN(C(=O)c2cn[nH]c2)CC1 1074492982 IRCIJSXJUOFXRK-UHFFFAOYSA-N 316.361 -0.094 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)c1cn[nH]c1 1075732721 DBJFTABGYMMZPT-JTQLQIEISA-N 305.338 -0.826 30 20 DBED C#CCO[C@H](C)C(=O)NCC[C@H](C)NC(=O)CCn1cnnn1 1076508848 HDGCJYMZKONMPY-NWDGAFQWSA-N 322.369 -0.888 30 20 DBED C[C@@H](CCNC(=O)c1cn(C)c(=O)n1C)NC(=O)C#CC1CC1 1077039815 PKKGJINSZGRLEY-NSHDSACASA-N 318.377 -0.238 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCS(=O)(=O)C2)C1 1077330550 MITHHPDVYYIDFX-YNEHKIRRSA-N 316.423 -0.451 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3cncn3)nc2)C1 1077482786 BTYMBYJLSRPEGM-CHWSQXEVSA-N 314.349 -0.377 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)c2ccoc2CC(N)=O)C1 1077575139 ILOJULMIONVLBK-VXGBXAGGSA-N 307.350 -0.342 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1cnc2c(c1)NC(=O)CO2 1080056627 ZVDULSOSRLCDLI-BXKDBHETSA-N 315.333 -0.014 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2ncoc2C)C1 1081312288 AHZIKRXJTXJEQK-NWDGAFQWSA-N 323.349 -0.265 30 20 DBED C#CCCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cn(C)cn2)C1 1081408741 RFNNFZLVHKMVGT-GXTWGEPZSA-N 318.377 -0.227 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(C[C@@H](C)O)C[C@H]2OC)cn1 1082333536 MVGIRTCTSAUCKY-KCPJHIHWSA-N 303.362 -0.127 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2cc3c(nc2O)CCOC3)C1 1083940082 AMUPNHJBDBUGOU-KGLIPLIRSA-N 317.345 -0.732 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@@H]2CNC(=O)N2)[C@H](c2ccccc2)C1 1086607181 OQJRREZJNLNIGU-SOUVJXGZSA-N 312.373 -0.115 30 20 DBED C=CCN[C@@H]1CC[C@H](CNC(=O)[C@H]2CCS(=O)(=O)N2)C1 1086878556 TWVSDEMYLQDNTR-QJPTWQEYSA-N 301.412 -0.261 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cn(C3CCC3)nn2)[C@@H](O)C1 1090275210 YCBYJDABNQCNRV-JSGCOSHPSA-N 303.366 -0.199 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2cccc(C(N)=O)c2)[C@@H](O)C1 1090366082 XCNSLKXCPIGOPH-CABCVRRESA-N 315.373 -0.026 30 20 DBED C#CCN1CC[C@@H](NC(=O)Cn2c(C)cc(C)nc2=O)[C@@H](O)C1 1090674420 UXARHCLTOWQHIB-KGLIPLIRSA-N 318.377 -0.955 30 20 DBED C=C(C)CCN1CC[C@H](NC(=O)c2cn(C)c(=O)n2C)[C@H](O)C1 1090832562 DXVHNBDTYJOPPV-GXTWGEPZSA-N 322.409 -0.145 30 20 DBED CN(C)CCCC(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1091175556 GNWAXAHMNDEKGL-OLZOCXBDSA-N 318.381 -0.644 30 20 DBED COC[C@H](OC)C(=O)N[C@H]1[C@@H]2CN(c3ccc(C#N)nn3)C[C@@H]21 1093344832 KVNOWZNRBUXBSF-KZVDOYCCSA-N 317.349 -0.440 30 20 DBED C#CCN1CC(OC2CCN(C(=O)[C@@H]3COC(=O)N3)CC2)C1 1093533019 UHAPCHZMAOJJDK-ZDUSSCGKSA-N 307.350 -0.580 30 20 DBED CN(C)c1ccc(C(=O)NCCN=c2cc[nH]c(C#N)n2)nn1 1093756797 QJWMVAGWWYBGRR-UHFFFAOYSA-N 312.337 -0.532 30 20 DBED C#CCOCCC(=O)NCCNc1nc(O)c2cnn(C)c2n1 1093892752 CAORIEHLIYFIOY-UHFFFAOYSA-N 318.337 -0.363 30 20 DBED C#CCN1CC(n2cc(CNC(=O)c3cc(C)ncn3)nn2)C1 1094284766 SRQVOFJZQVIBKL-UHFFFAOYSA-N 311.349 -0.204 30 20 DBED N#Cc1nccnc1NCCCNC(=O)[C@H]1CCCC(=O)N1 1094633720 QFMUEIMEDBTYES-SNVBAGLBSA-N 302.338 -0.065 30 20 DBED Cc1cncn1CC(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1 1094759534 JUARHTKMTDPNTM-LBPRGKRZSA-N 316.365 -0.884 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](Nc2ccc3nnnn3n2)C1 1095064693 WWJOZIYULUCVFK-LLVKDONJSA-N 315.337 -0.428 30 20 DBED CN(CCCNC(=O)C[C@H]1CCC(=O)N1)c1cncc(C#N)n1 1095592044 ZXQZCMNLUKUZMJ-LLVKDONJSA-N 316.365 -0.041 30 20 DBED CN(CCCNC(=O)[C@@H]1CCC(=O)N1)c1cncc(C#N)n1 1095597642 VVPITOVBZAGSIQ-NSHDSACASA-N 302.338 -0.431 30 20 DBED CNC(=O)NCC(=O)N[C@H]1CCN(c2snc(C)c2C#N)C1 1096493027 HRNLCSCNQXTXLX-VIFPVBQESA-N 322.394 -0.053 30 20 DBED N#Cc1cncc(N2CCC3(CC2)C[C@H]3NC(=O)CC(N)=O)n1 1096507977 TUZHWQOXXULHCX-LLVKDONJSA-N 314.349 -0.301 30 20 DBED CNC(=O)NCC(=O)NC[C@@H](Nc1nccnc1C#N)C1CC1 1096837997 WFYOKHOXLPNZDU-LLVKDONJSA-N 317.353 -0.416 30 20 DBED C[C@@H](CNC(=O)c1ccc(C#N)[nH]1)Nc1ccc2nnnn2n1 1097761112 ZBSWHHONARRNOG-QMMMGPOBSA-N 311.309 -0.051 30 20 DBED Cc1nc(CC(=O)NC[C@@H](C)Nc2nccnc2C#N)n[nH]1 1097806378 KZJVVUVONJYTRP-MRVPVSSYSA-N 300.326 -0.066 30 20 DBED C[C@H](CNC(=O)CN1C(=O)CCC1=O)Nc1cnc(C#N)cn1 1097847772 IGOSMQLVVUUNLP-SECBINFHSA-N 316.321 -0.586 30 20 DBED Cc1nonc1CC(=O)NC[C@H](C)N=c1cc[nH]c(C#N)n1 1098021730 ASOZRTWAXUSSMI-QMMMGPOBSA-N 301.310 -0.379 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCN(C)C1=O)Nc1nccnc1C#N 1098193577 GOIJNRPRHASEEJ-VHSXEESVSA-N 302.338 -0.257 30 20 DBED C[C@H](CNC(=O)CCS(C)(=O)=O)Nc1ccc(C#N)nn1 1098392365 DNJMYYANOKKHRF-SECBINFHSA-N 311.367 -0.300 30 20 DBED C#CCCN1CCC2(CC1)CN(C(=O)CC(N)=O)C[C@H](C)O2 1098578507 WITMDCXGUQGZBN-ZDUSSCGKSA-N 307.394 -0.033 30 20 DBED C#CCNCc1cn([C@@H]2CCN(C(=O)C3=COCCO3)C2)nn1 1098608188 PJVZUJUPLUUNSJ-CYBMUJFWSA-N 317.349 -0.338 30 20 DBED C=CCCCC(=O)N1CC[C@@H](n2cc(CNCC(N)=O)nn2)C1 1098710269 BQGYEYVGWWFWOP-CYBMUJFWSA-N 320.397 -0.017 30 20 DBED Cc1occc1C(=O)N[C@@H]1CCN(CC(=O)NCC#N)C[C@@H]1O 1099644937 LTRMJILKFNSXQU-OLZOCXBDSA-N 320.349 -0.607 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)CCC(C)C)[C@H](O)C1 1099662840 DZVJBONCTCIYDV-ZIAGYGMSSA-N 309.410 -0.277 30 20 DBED C=CC(C)(C)CC(=O)N[C@@H]1CCN(Cc2nnn(C)n2)C[C@H]1O 1099851028 TUIJZRANMPSENV-VXGBXAGGSA-N 322.413 -0.136 30 20 DBED C=CCCN1CC[C@@H](NC(=O)C(=O)NCC(F)F)[C@@H](O)C1 1099901925 QETOBOMZAUMDFE-ZJUUUORDSA-N 305.325 -0.505 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)CC2(C)CC2)[C@@H](O)C1 1099929118 TUZCBZMMMXXPSD-OLZOCXBDSA-N 307.394 -0.523 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)COCC(F)F)[C@H](O)C1 1099935002 HNCDIJSCAOIGHD-VXGBXAGGSA-N 320.336 -0.531 30 20 DBED CN(CCNC(=O)CN1CCOCC1=O)c1ccncc1C#N 1100382788 VFVIHACOYOWICV-UHFFFAOYSA-N 317.349 -0.636 30 20 DBED COCC#CCNC1CC(CNC(=O)CCc2cnn[nH]2)C1 1100690564 KCLLWWQWILDRHA-UHFFFAOYSA-N 305.382 -0.129 30 20 DBED Cc1cc(N2CC[C@@H](CNC(=O)CNC(N)=O)C2)c(C#N)cn1 1100928185 YTXCHRSRMVPDAX-NSHDSACASA-N 316.365 -0.128 30 20 DBED CC#CCNC1CC(CNC(=O)c2nccnc2C(N)=O)C1 1100964825 YHSCXMTYPQBKCK-UHFFFAOYSA-N 301.350 -0.303 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H]1CCN(c2cnc(F)cn2)C1 1100973374 CTPAMCRQVLKSOG-LLVKDONJSA-N 319.340 -0.302 30 20 DBED CNC(=O)NCC(=O)NCCN(c1ncccc1C#N)C1CC1 1101461393 ZFKFRKCSSDBSGV-UHFFFAOYSA-N 316.365 -0.033 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)C[C@H]1CCC(=O)N1C 1101889165 LYTUXEGMZKGQPO-LLVKDONJSA-N 316.365 -0.349 30 20 DBED COCC#CCN1C[C@@H](C)[C@H](CNC(=O)c2cnnn2C)C1 1101926291 UUQPFUPRAPPTIN-CHWSQXEVSA-N 305.382 -0.237 30 20 DBED C[C@H](CNC(=O)CCn1cnnn1)CNc1cncc(C#N)n1 1104047554 LEXYQDMPDCQJLN-JTQLQIEISA-N 315.341 -0.411 30 20 DBED C[C@H](CNc1cncc(C#N)n1)N(C)C(=O)Cn1cnnc1O 1104527456 OTQGHYHUIGJENK-SECBINFHSA-N 316.325 -0.396 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)c1cnn(C)n1 1104611301 FPFYVGPHNFLATF-SECBINFHSA-N 300.326 -0.529 30 20 DBED C[C@@H](CNc1cnc(C#N)cn1)N(C)C(=O)[C@H]1CN(C)C(=O)N1 1104767078 YWPWIMMQOLMSMX-GXSJLCMTSA-N 317.353 -0.369 30 20 DBED C#CCNCc1cn(C2CN(C(=O)c3c(C)ncn3C)C2)nn1 1105264621 NTVCYMRGMJJDIL-UHFFFAOYSA-N 313.365 -0.260 30 20 DBED CN(CCN(C)c1nccnc1C#N)C(=O)c1cn(C)nn1 1105383892 MAIZDXVQDFSECO-UHFFFAOYSA-N 300.326 -0.315 30 20 DBED CCc1cc(C(=O)NC[C@@H](O)CNc2ccc(C#N)nn2)n[nH]1 1105778787 VTDPEPLGAVIMBX-NSHDSACASA-N 315.337 -0.163 30 20 DBED N#Cc1nc(=NC[C@@H](O)CNC(=O)c2ccnc(O)c2)cc[nH]1 1105818295 IMCOUZADOPBVLE-SNVBAGLBSA-N 314.305 -0.926 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)Cc2cnc[nH]2)nn1 1106130584 WSIYFPOHMYYHSU-NSHDSACASA-N 301.310 -0.797 30 20 DBED CCCC(=O)NCc1cn(C2CN(CC(=O)NCC#N)C2)nn1 1107114705 DKNSUKXYMLUFCP-UHFFFAOYSA-N 319.369 -0.809 30 20 DBED C=C[C@](C)(O)CC(=O)NCc1cn(C2CN(C[C@H](C)O)C2)nn1 1107163838 DGMXGZXXQRHLPY-NHYWBVRUSA-N 323.397 -0.541 30 20 DBED N#Cc1cncc(NC/C=C\CNC(=O)c2c[nH]c(=O)cn2)n1 1107490567 KPTAHDMIILBUTC-UPHRSURJSA-N 311.305 -0.170 30 20 DBED CNC(=O)NCCC(=O)N[C@H](C)CNc1ccc(C#N)nn1 1107733222 FXQZMIDLLURDOA-SECBINFHSA-N 305.342 -0.416 30 20 DBED C[C@H](CNc1nccnc1C#N)NC(=O)c1ccc(=O)n(C)n1 1107753169 YVPWLLWPPGAPLD-SECBINFHSA-N 313.321 -0.328 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CNc1cc(OCC)ncn1 1108321597 YVHDLQDEOHLVKM-NSHDSACASA-N 319.365 -0.069 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)[C@H]2CCCC(=O)N2C)C1 1108373360 UMDMECGFFMDJSP-CZUORRHYSA-N 307.394 -0.162 30 20 DBED CC#CCN1CCO[C@@](C)(CNC(=O)[C@@H]2CN(CC)CCO2)C1 1108408277 DPVAZCIONHCZQI-RDJZCZTQSA-N 323.437 -0.063 30 20 DBED CCN1CCO[C@@H](C(=O)NC[C@@]2(C)CN(CC#N)CCO2)C1 1108411113 WFRVCOSNCJCGSX-HIFRSBDPSA-N 310.398 -0.562 30 20 DBED C#CCCCC(=O)N[C@H]1CC(=O)N(C2CN(C[C@H](C)O)C2)C1 1108538673 LJEWDPDHFIJGSI-STQMWFEESA-N 307.394 -0.428 30 20 DBED CN(C)CCCCC(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1 1108586815 FDVMVYHVYLJCLV-ZDUSSCGKSA-N 321.425 -0.357 30 20 DBED Cc1cc(C#N)nc(N(C)C[C@@H](C)NC(=O)Cn2cnnn2)n1 1108850319 NOJOOZRQFFTVFE-SNVBAGLBSA-N 315.341 -0.716 30 20 DBED CNC(=O)NCC(=O)N[C@@]1(C)CCN(c2cnc(C#N)cn2)C1 1110822615 OZBQWCMGUPUQSC-AWEZNQCLSA-N 317.353 -0.638 30 20 DBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cc1cnc[nH]1 1111065930 JVTMLRDYOQRLCE-MCIONIFRSA-N 317.393 -0.024 30 20 DBED CC(C)[C@@H](O)C(=O)NC[C@@]1(O)CCN(c2ccnc(C#N)n2)C1 1111076127 UVFJJBMSKDJZSU-HIFRSBDPSA-N 319.365 -0.577 30 20 DBED N#Cc1cnc(N2[C@H]3CC[C@@H]2C[C@H](CNC(=O)C(N)=O)C3)cn1 1111271020 XFZNAFAXTWUSIK-YHPBZONMSA-N 314.349 -0.303 30 20 DBED C=CCOCC(=O)N1C[C@H](C)[C@@H](Nc2ccc3nnnn3n2)C1 1112310938 VKCFSHHPKBCWGE-QWRGUYRKSA-N 317.353 -0.019 30 20 DBED CSCC(=O)NC[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1O 1112698495 XEFJQGIDKDLRKT-MWLCHTKSSA-N 307.379 -0.375 30 20 DBED CNC(=O)CC(=O)NC[C@H]1CN(c2ncccc2C#N)C[C@@H]1O 1112709609 MADZIANWPGPDKH-RYUDHWBXSA-N 317.349 -0.997 30 20 DBED C=CCCC(=O)NC[C@H]1CN(c2nccn3nnnc23)C[C@H]1O 1112714518 FLYBVBYZQZOSLQ-WDEREUQCSA-N 317.353 -0.601 30 20 DBED C=CCOCCN1CCN(C(=O)CN(C)C(=O)COC)CC1 1112917452 DCNIHFWYGKWDNI-UHFFFAOYSA-N 313.398 -0.562 30 20 DBED CCNC(=O)CCC(=O)N[C@H](C)[C@@H](C)N=c1cc[nH]c(C#N)n1 1112998015 BHJCMYPMYOGOCJ-GHMZBOCLSA-N 318.381 -0.008 30 20 DBED CNC(=O)NCCC(=O)N[C@@H](C)[C@H](C)Nc1cncc(C#N)n1 1113001046 IAQXWGFXTLDFAX-UWVGGRQHSA-N 319.369 -0.028 30 20 DBED C[C@H](CNC(=O)CCn1cncn1)N(C)c1cnc(C#N)cn1 1113492974 OSHFPSBAOWRVDE-LLVKDONJSA-N 314.353 -0.029 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCCC(=O)N1)N(C)c1nccnc1C#N 1113748628 DZNIHHPBBRFBMD-WDEREUQCSA-N 316.365 -0.042 30 20 DBED Cc1ccc(C#N)c(N(C)[C@H](C)CNC(=O)[C@H]2CNC(=O)N2)n1 1113870548 YZKXQXACPGWCIH-ZYHUDNBSSA-N 316.365 -0.116 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CCC(=O)NC1)N(C)c1ccnc(C#N)n1 1113961238 ISRMSFIDYVXBNW-WDEREUQCSA-N 316.365 -0.185 30 20 DBED C[C@H](CNC(=O)[C@H]1CCC(=O)NC1)N(C)c1cncc(C#N)n1 1113961690 UHSAMSXBWDTKPA-MNOVXSKESA-N 316.365 -0.185 30 20 DBED C[C@H]1CCN(c2ccnc(C#N)n2)C[C@@H]1NC(=O)CNC(N)=O 1113996944 CMGLENGPXQCDTF-UWVGGRQHSA-N 317.353 -0.652 30 20 DBED C=CCOCC(=O)NC1[C@@H]2CN([C@@H](C)C(=O)NC3CC3)C[C@@H]12 1114050796 JADJBQTYEFYDKH-CYZMBNFOSA-N 307.394 -0.098 30 20 DBED CCOCCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@@H](C)C#N)[C@H]2C1 1114064612 SZRWWFDXTXWRJJ-CIQGVGRVSA-N 308.382 -0.655 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)C(=O)C(C)(C)C)[C@H]2C1 1114071591 DQNNGQCQNXYVQL-WUHRBBMRSA-N 319.405 -0.214 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)Cc3nnc(C)o3)[C@@H]2C1 1114217887 XGZLDACJMVJGDE-GHMZBOCLSA-N 319.365 -0.731 30 20 DBED CC(C)(CN1CCOCC1)C(=O)NC1[C@@H]2CN(CC#N)C[C@@H]12 1114464396 SJLWWZQBWCBJSV-CHWSQXEVSA-N 306.410 -0.085 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3cnc(O)n3C)[C@H]2C1 1114665277 DYBDOVXBTXKDDW-IWIIMEHWSA-N 319.365 -0.912 30 20 DBED C=CCOCCN1C[C@H]2C(NC(=O)[C@H]3CCC(=O)N3C)[C@@H]2C1 1114727380 VIQLSCYUJBDPOF-JHJVBQTASA-N 307.394 -0.144 30 20 DBED C#CCCN1C[C@@H]2C(NC(=O)CNC(=O)c3cccnc3)[C@H]2C1 1114869170 CZPVQKXREPBGSU-KBPBESRZSA-N 312.373 -0.119 30 20 DBED C=CCN1C[C@H]2C(NC(=O)CN(C)S(=O)(=O)CC)[C@@H]2C1 1115051104 ZILCTRIUTHENSV-GHMZBOCLSA-N 301.412 -0.500 30 20 DBED C[C@@H](CCCNc1cncc(C#N)n1)NC(=O)[C@@H]1CNC(=O)N1 1115061664 BFZMLBVDNLVSIA-ONGXEEELSA-N 317.353 -0.274 30 20 DBED COCC#CCN1C[C@@H]2C(NC(=O)CCCCC(N)=O)[C@H]2C1 1115101100 PFDGDMUGZGOHRD-STQMWFEESA-N 307.394 -0.272 30 20 DBED CN(C)C(=O)CCNC(=O)C(=O)NCc1ccc(C#N)cc1 1117191383 ITHGOPQNAHFLJA-UHFFFAOYSA-N 302.334 -0.231 30 20 DBED COC(=O)N1CC(NC(=O)C(=O)N2CCC(C)(C#N)CC2)C1 1117609463 QFIFMACOJBKJRW-UHFFFAOYSA-N 308.338 -0.295 30 20 DBED C#Cc1cccc(Cn2nnnc2N2CCO[C@H](C(N)=O)C2)c1 1120149085 MITHSAKWRAVTAE-ZDUSSCGKSA-N 312.333 -0.607 30 20 DBED N#Cc1cnc(N[C@@H](CO)CNC(=O)CCn2cccn2)cn1 1121072911 FLTHVMIHTOQBNF-GFCCVEGCSA-N 315.337 -0.476 30 20 DBED N#Cc1c[nH]ccc1=N[C@H](CO)CNC(=O)C[C@@H]1CCOC1 1121399130 MBJCHEYXOALFDN-AAEUAGOBSA-N 304.350 -0.309 30 20 DBED C=CCn1c(N2CC(=O)N(C)C[C@H]2C)nnc1[C@@](C)(O)COC 1121577637 WGZPGXZGSOGLDN-ABAIWWIYSA-N 323.397 -0.015 30 20 DBED COC[C@@H](C)CC(=O)NC[C@@H](CO)N=c1cc[nH]cc1C#N 1121984566 JFQNOKNTBYUXAY-AAEUAGOBSA-N 306.366 -0.063 30 20 DBED CNC(=O)NCC(=O)N1C[C@H](Nc2cncc(C#N)n2)C[C@H]1C 1123318509 HCEGNSWNQXPBQG-NXEZZACHSA-N 317.353 -0.321 30 20 DBED C[C@H](NC(=O)C(N)=O)C1CCN(c2nccnc2C#N)CC1 1126767985 VKOGYDZBZGDZLJ-VIFPVBQESA-N 302.338 -0.445 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1OCC[C@H]1C(C)C 1127542645 IFGLLSGJWZTHKQ-RDBSUJKOSA-N 309.410 -0.109 30 20 DBED C=C(C)CN[C@@H]1CN(C(=O)COCCOC)C[C@@H]1n1ccnn1 1129696062 LDGSEEWWYULTQY-KGLIPLIRSA-N 323.397 -0.141 30 20 DBED CC#CCN1C[C@H]2C[C@@H]3CN(C(=O)[C@H](C)NC(C)=O)C[C@@]3(C1)O2 1131177088 DLCBCEMMFNVXET-DPAVQSFQSA-N 319.405 -0.164 30 20 DBED CC(=O)N(C)CC(=O)N[C@H]1CC[C@H](C)N(CC(=O)NCC#N)C1 1131830273 PCYLDPXHOAYPHV-AAEUAGOBSA-N 323.397 -0.926 30 20 DBED C#CCCCCCC(=O)NCCNCCN1C(=O)CNC1=O 1132404200 VHEISERPTPBELJ-UHFFFAOYSA-N 308.382 -0.172 30 20 DBED C=C1CC(C)(C(=O)NCCNCCNS(=O)(=O)CC)C1 1133566078 UIMCYEZBVODQLV-UHFFFAOYSA-N 303.428 -0.012 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)c1cnsn1 1133784104 FSYHHXDAHRQAMQ-UWVGGRQHSA-N 309.395 -0.226 30 20 DBED C=CCOCC(=O)N[C@H](C)C[C@@H](C)NCC(=O)NC(N)=O 1133910318 YPGXUGMHSWICOC-NXEZZACHSA-N 300.359 -0.743 30 20 DBED C#CCOCCC(=O)N[C@H](C)C[C@H](C)NCCS(C)(=O)=O 1134350985 AGJNGWVEEFOPKZ-QWHCGFSZSA-N 318.439 -0.056 30 20 DBED Cc1ccn(CC(=O)N[C@@H](C)C[C@@H](C)NCC(=O)NCC#N)n1 1135507061 RNPQOFFLOLHKLA-OLZOCXBDSA-N 320.397 -0.296 30 20 DBED C=CCOc1cccnc1C(=O)NCCNCc1nnn(C)n1 1147283298 QSNXCBBZHVUXEO-UHFFFAOYSA-N 317.353 -0.311 30 20 DBED C[C@@H](O)CN1CCCO[C@H](CNC(=O)CSCC#N)C1 1149207341 LSZZQWZAFQLPBT-VXGBXAGGSA-N 301.412 -0.169 30 20 DBED COC[C@H](O)CN1CCCO[C@H](CNC(=O)C#CC(C)C)C1 1149672832 GPTLYCDISFISHV-HUUCEWRRSA-N 312.410 -0.140 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)Cn2cc(C3CC3)nn2)C1 1149841406 DZPLUHKPULDLKV-AWEZNQCLSA-N 317.393 -0.004 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)c1cc(C)nn1C 1155219201 IRKUEVHFIUFBDB-GFCCVEGCSA-N 305.382 -0.424 30 20 DBED C=CCNC(=O)NC(=O)CNCCCNC(=O)c1ncc[nH]1 1157627770 CWTXRJJOZXOPKK-UHFFFAOYSA-N 308.342 -0.869 30 20 DBED COCC#CCNCCCNC(=O)Cn1nc(C)ccc1=O 1171709973 NXGCDAVNLHRRLR-UHFFFAOYSA-N 306.366 -0.703 30 20 DBED C=CCNCCCC[C@@H](C)NC(=O)CNC(=O)Cn1cncn1 1176739273 WIGCXVYMLIPXAU-CYBMUJFWSA-N 322.413 -0.155 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)[C@@H](CC(C)C)C(N)=O 1177524877 UORSJTADXJEAGG-OLZOCXBDSA-N 324.425 -0.632 30 20 DBED CCn1ncc(C(=O)N2CC[C@H](NCC(=O)NCC#N)[C@@H]2C)n1 1178621651 JTXLDEIKJVRMFS-QWRGUYRKSA-N 319.369 -0.870 30 20 DBED Cc1cnn(C)c1C(=O)N1CC[C@H](NCC(=O)NCC#N)[C@@H]1C 1179341615 JGHWGPMSNKTWRX-RYUDHWBXSA-N 318.381 -0.439 30 20 DBED C#CCNCCCCCCNC(=O)c1cc(=O)n2[nH]cnc2n1 1180056022 FNYJEADVUNIBKM-UHFFFAOYSA-N 316.365 -0.069 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)Cc2cnc(C)o2)C1 1183229792 PKRFOEWNEVOFFX-WCQYABFASA-N 318.377 -0.146 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)CCN2C(=O)CCC2=O)C1 1184057231 CBZITMVTBZVHTM-CYBMUJFWSA-N 321.377 -0.634 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](CNCCOC)[C@H](C)C1 1184239865 CYBNIHPJADFYIY-KGLIPLIRSA-N 309.410 -0.154 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2C)C1 1185109889 LSIFFKNOFNODND-YNEHKIRRSA-N 322.409 -0.512 30 20 DBED C[C@H]1CN(C(=O)CN2C(=O)CCC2=O)CC[C@H]1CNCC#N 1185643394 WUPDFDYFDZFIDP-RYUDHWBXSA-N 306.366 -0.267 30 20 DBED C#CCNC[C@@H]1CN(C(=O)[C@@H]2COCCO2)CC12CCOCC2 1186264220 FFONSMGDVABXEI-CABCVRRESA-N 322.405 -0.120 30 20 DBED C=CCOCCN[C@@H]1CCN(C(=O)c2ccc(=O)n(C)n2)C1 1187637289 YSYGNUFKZFECGN-GFCCVEGCSA-N 306.366 -0.213 30 20 DBED COCC#CCN(C)[C@@H]1CCN(C(=O)c2cncnc2O)C1 1190837859 VGIRKAZTEHXPEA-GFCCVEGCSA-N 304.350 -0.022 30 20 DBED C=CCCOCC(=O)N1CC[C@@H](N(C)CC(=O)NCC#N)C1 1194381942 QMOFOKMJSFYTCS-CYBMUJFWSA-N 308.382 -0.248 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)CCCNC(=O)c2ccco2)C1 1198571317 UOPWQFSNVWSBOM-CHWSQXEVSA-N 319.361 -0.416 30 20 DBED C=CCNC[C@H]1CN(C(=O)C(=O)NCC(F)F)CCCO1 1200874580 UGQINKVZLWJKLS-JTQLQIEISA-N 305.325 -0.239 30 20 DBED COCC#CCN[C@H]1C[C@H]2CC[C@H]1N(C(=O)CNC(N)=O)C2 1203967456 VNMDOGNLQHRAJS-FRRDWIJNSA-N 308.382 -0.726 30 20 DBED Cc1nc[nH]c1C(=O)N1CCC(NCC(=O)NCC#N)CC1 1204139964 FBCNLLDTUDTBFD-UHFFFAOYSA-N 304.354 -0.448 30 20 DBED C#CCNC(=O)[C@H](C)NCC1CCN(C(=O)c2cnn[nH]2)CC1 1205608936 OGDZEDBRESGLJK-NSHDSACASA-N 318.381 -0.616 30 20 DBED C[C@@H]1CN([C@H](C)c2nnnn2C)C[C@H]1NC(=O)CSCC#N 1206090084 KTENBIONESNBIV-GMTAPVOTSA-N 323.426 -0.036 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)Cc2cc[nH]n2)[C@H](C)C1 1206713557 YGNHDYBWDCJCHK-MBNYWOFBSA-N 317.393 -0.473 30 20 DBED Cn1ccc(C(=O)N2CCC[C@H](NCC(=O)NCC#N)C2)c1 1207795248 IBNNPILEMXIQJK-ZDUSSCGKSA-N 303.366 -0.141 30 20 DBED Cc1nnc(CC(=O)N2CCC[C@H](NCC(=O)NCC#N)C2)o1 1207972174 OPHJMHCJQCUTSY-NSHDSACASA-N 320.353 -0.859 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC[C@@H](NCC(=O)N2CCC2)C1 1208014213 NNXWLMXKOIDAIN-ZIAGYGMSSA-N 307.394 -0.162 30 20 DBED CC#CCN[C@@H]1CCCN(C(=O)CS(=O)(=O)N(C)C)C1 1210899016 FJDPHXAZYARVRT-GFCCVEGCSA-N 301.412 -0.518 30 20 DBED CCn1nccc1C(=O)N[C@@H]1CN(CC#CCOC)C[C@H]1OC 1212163706 HZBGSDVGEQYJLQ-UKRRQHHQSA-N 320.393 -0.018 30 20 DBED C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1NCc1nc(=O)n(C)[nH]1 1214167720 PPTPKMVXLGMBQB-NXEZZACHSA-N 324.410 -0.698 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2ccc(C)o2)C1 1219135976 NMKONJHHLANBOB-NEPJUHHUSA-N 307.350 -0.335 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(Cc2ccn(C)c(=O)c2)C[C@@H]1O 1219361769 DNEGREQOLNLTBM-KGLIPLIRSA-N 321.377 -0.751 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(CCc2cnn(CC)c2)C[C@@H]1O 1219364071 WYPCYHMTEHTQDT-CABCVRRESA-N 322.409 -0.191 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C2(CCC)CC2)C1 1220313177 NKOLHWFEKZKUML-OLZOCXBDSA-N 307.394 -0.523 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)CNC(=O)c2cc(C)oc2C)C1 1220990822 ATZFOWQQNQARFO-KGLIPLIRSA-N 321.377 -0.026 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCC#N 1225947498 XDTUPLJPQWSIKR-IOASZLSFSA-N 322.409 -0.030 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)Cc1ncc[nH]1 1229301281 NQELJWAXOWDIBL-CHWSQXEVSA-N 317.393 -0.281 30 20 DBED CN(C[C@H]1CCN1CC(=O)NCC#N)C(=O)c1c[nH]c(C#N)c1 1233782475 XOFQUTHJTINLRM-CYBMUJFWSA-N 314.349 -0.328 30 20 DBED C#CCN(C)C(=O)C(=O)N1CCN(C(=O)N(CC)CC)CC1 1261308232 CJCMOXDNHZNDNY-UHFFFAOYSA-N 308.382 -0.316 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)[C@@]2(CC)CCNC2=O)C1 1267012178 AGDXDWLBLZHYMZ-LRDDRELGSA-N 322.409 -0.605 30 20 DBED CN(C)CCn1ccc(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)n1 1319556525 BSOIJFWNDMHDNK-NSHDSACASA-N 320.353 -0.866 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)Nc1cnc(OC)c(C(N)=O)c1 1321241437 OEXHYXMHEXARLQ-MRVPVSSYSA-N 322.321 -0.555 30 20 DBED C#CCSCCNC(=O)C(=O)N1C[C@H](C)O[C@@H](CO)C1 1323105928 ZOVUJSRQZTUNKA-WDEREUQCSA-N 300.380 -0.923 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N[C@H](C)CO[C@H]1CCOC1 1323413506 LOEPWDSOMAGNDA-KGLIPLIRSA-N 306.362 -0.218 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)N2CCC[C@H]2CN2CCCC2)CCO1 1325177510 SOFRQLJDOPQJAV-KBPBESRZSA-N 320.393 -0.176 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)NCCCO[C@@H]2CCOC2)CCO1 1325270555 JKJXDXJBBYQXPH-NEPJUHHUSA-N 311.338 -0.951 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@@H](C=C)COC 1325473521 FTYPYEISFOYXME-JTQLQIEISA-N 304.368 -0.979 30 20 DBED N#C[C@H]1CC[C@@H](NC(=O)C(=O)N2CCc3nnc(O)cc3C2)C1 1328106107 CYHGTWGAVSQHCK-GXSJLCMTSA-N 315.333 -0.125 30 20 DBED CC#CC[C@@H](CO)NC(=O)NCCCCn1cc(C(N)=O)nn1 1328142531 CADBBELIINQCAT-NSHDSACASA-N 322.369 -0.769 30 20 DBED Cc1cc(NC(=O)C(=O)NC[C@H](C)S(C)(=O)=O)ncc1C#N 1329055308 QSWMIQPOBQATPS-VIFPVBQESA-N 324.362 -0.251 30 20 DBED COc1ccc(CNC(=O)C(=O)Nc2cnnn2C)cc1C#N 1331246171 YSHBZSYZQCVQQP-UHFFFAOYSA-N 314.305 -0.050 30 20 DBED CN(C(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1)C1CCNCC1 1332128280 NRCDSMZFUKRXCP-AWEZNQCLSA-N 319.409 -0.604 30 20 DBED C=C(C)[C@@H]1OCC[C@H]1Cn1nnnc1N1CC(=O)N[C@H](C)C1 1344129152 BJGQBWZWAYWCJI-MDZLAQPJSA-N 306.370 -0.021 30 20 DBED C=CCCN(C)C(=O)C(=O)NC1CCN(S(C)(=O)=O)CC1 1345080349 OAQZXPHEDUXQMW-UHFFFAOYSA-N 317.411 -0.439 30 20 DBED COC(=O)C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H](C#N)C2)CCO1 1353023703 LUMMMZBIWBPKTJ-RYUDHWBXSA-N 323.349 -0.461 30 20 DBED C#CCOCCNC(=O)C(=O)NCc1ccc2c(c1)ncn2C 1354591536 SLLFNXGJWSXZSC-UHFFFAOYSA-N 314.345 -0.045 30 20 DBED C[C@@H](NC(=O)Cn1cc(C#N)c(O)nc1=O)C1CCOCC1 1362239304 QRLWJIIKYKPEKK-SECBINFHSA-N 306.322 -0.248 30 20 DBED C[C@H](C(=O)N1CC[C@H]2COC(=O)N[C@@H]2C1)n1cnc(C#N)n1 1363205456 YXEBNKPKKHJTED-KXUCPTDWSA-N 304.310 -0.332 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)NCCS(=O)(=O)C1CC1 1364007090 RNZCETAVNLVJEI-SECBINFHSA-N 309.413 -0.511 30 20 DBED C[C@@H]1O[C@H](C)[C@H](C(=O)NCCn2cc(C#N)c(O)nc2=O)[C@@H]1C 1364106426 FMGZHDYZRDLYEK-DTHBNOIPSA-N 320.349 -0.004 30 20 DBED C=C(Br)CN[C@@H](C)CNC(=O)Cn1cnnn1 1366248944 FYJCHEPZOSIEHH-QMMMGPOBSA-N 303.164 -0.324 30 20 DBED CNC(=O)NC(=O)[C@H](C)N(C)CCNC(=O)c1cc(C#N)c[nH]1 1366523143 WNGGNQKJSUJYQY-VIFPVBQESA-N 320.353 -0.608 30 20 DBED C[C@H](CNC(=O)[C@@H]1CCC(=O)N1C)NC(=O)c1ccc(C#N)[nH]1 1373025634 GOZLQIUCTZRETR-SKDRFNHKSA-N 317.349 -0.258 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)CCNC(N)=O)CCCC1 1375290385 UWCOEMFQCFLVHL-JTQLQIEISA-N 309.370 -0.250 30 20 DBED COC(=O)NCC(=O)N(C)[C@@H](CNC(=O)[C@H](C)C#N)C1CC1 1383600776 RWCRQQBCRRQHKG-KOLCDFICSA-N 310.354 -0.145 30 20 DBED CN1CCO[C@H](C(=O)N(C)CCNC(=O)c2cc(C#N)c[nH]2)C1 1386839392 NDMPBJDAWPVRHQ-ZDUSSCGKSA-N 319.365 -0.595 30 20 DBED Cc1nnsc1C(=O)N(C)C[C@@H](O)CNC(=O)[C@H](C)C#N 1405570024 UJQDCADJVIPVNK-APPZFPTMSA-N 311.367 -0.445 30 20 DBED Cn1c(=O)[nH]c(N2CCC(n3ccnn3)CC2)c(C#N)c1=O 1413885929 UJLXHRTULCMXNA-UHFFFAOYSA-N 301.310 -0.622 30 20 DBED Cn1ccc(CNC(=O)NCCn2cc(C#N)c(O)nc2=O)n1 1414587792 RMNHCWGAVDNMAQ-UHFFFAOYSA-N 317.309 -0.947 30 20 DBED CC[C@@H](CNC(=O)CNC(=O)OC)NC(=O)c1c[nH]c(C#N)c1 1416183495 MSIOLVZNAVLTEP-JTQLQIEISA-N 321.337 -0.133 30 20 DBED Cc1ccc(C(=O)N2C[C@@H](C(N)=O)[C@H](C(N)=O)C2)cc1C#N 1418597365 ZSGIKLMCNGEYGC-VXGBXAGGSA-N 300.318 -0.475 30 20 DBED COC(=O)NCC(=O)N(C)C[C@H](C)NC(=O)c1cc(C#N)c[nH]1 1424992839 QLTJLRSOMARXBU-VIFPVBQESA-N 321.337 -0.181 30 20 DBED C[C@@H](CNC(=O)c1ccn2nnnc2c1)CNC(=O)[C@H](C)C#N 1431056971 SBXWEIIWZZWDQO-NXEZZACHSA-N 315.337 -0.234 30 20 DBED C[C@H](C#N)C(=O)N(C)CCN(C)C(=O)Cn1ccccc1=O 1431375594 SWPUFTPZGGNVKK-GFCCVEGCSA-N 304.350 -0.075 30 20 DBED Cn1c(=O)[nH]c(N[C@H]2COc3ccccc3[C@H]2O)c(C#N)c1=O 1434443927 DUKWJHGKUJPZQA-CMPLNLGQSA-N 314.301 -0.148 30 20 DBED Cc1c(C#N)c(=O)n(C[C@@H](C)S(C)(=O)=O)c(=O)n1C1CC1 1434454688 GEABNJNMVBPIDY-MRVPVSSYSA-N 311.363 -0.042 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)NC2CN(c3ccncn3)C2)C1 1434831700 WDIVRVDOWYAAMA-CQSZACIVSA-N 302.338 -0.275 30 20 DBED C[C@@H](CNC(=O)c1c[nH]c(C#N)c1)NC(=O)[C@H]1CCC(=O)N1 1458359228 RKHYXTHDCWNBGB-GZMMTYOYSA-N 303.322 -0.601 30 20 DBED N#Cc1ncn(CC(=O)N2CC[C@H](C(=O)Nc3cn[nH]c3)C2)n1 1468259185 XBTWWXOMRHZYDO-VIFPVBQESA-N 314.309 -0.640 30 20 DBED C[C@H](C#N)C(=O)NCCN(C)C(=O)c1cnc(N(C)C)cn1 1496498607 BVTMDUFYFQHCQY-SNVBAGLBSA-N 304.354 -0.110 30 20 DBED CC(=O)NCC(=O)NC[C@@H](NC(=O)c1ccc(C#N)[nH]1)C(C)C 1500719017 FFRDISSXXJQHBV-CYBMUJFWSA-N 319.365 -0.107 30 20 DBED C#CCOCCC(=O)N(C)C[C@@H](C)N=c1cc[nH]c(C(=O)O)n1 1573311582 ULCCSALHSNFALM-LLVKDONJSA-N 320.349 -0.105 30 20 DBED CC#CC[C@H](CO)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cn1 1573358940 MNTCFLMQTGOXCH-SNVBAGLBSA-N 322.350 -0.686 30 20 DBED C=CCC[C@H](CO)NC(=O)[C@@]12CNC[C@@H]1CS(=O)(=O)C2 1574901579 MQABCEPLCAIGTA-NQBHXWOUSA-N 302.396 -0.936 30 20 DBED C#CCN1CC[C@@](O)(CNC(=O)CCCCc2cnn[nH]2)C1 1574986001 QEWITJZIULJGMI-OAHLLOKOSA-N 305.382 -0.296 30 20 DBED CN(C)C[C@@](C)(C#N)NC(=O)c1cn(C2CCNCC2)nn1 1578413889 XMQRSWYORVEQFH-CQSZACIVSA-N 305.386 -0.224 30 20 DBED CN(CC(=O)NC(C)(C)C)c1cnc(-c2nn[nH]n2)c(C#N)n1 1579005678 AWISLRNGUHWTND-UHFFFAOYSA-N 315.341 -0.121 30 20 DBED COc1cc(CS(=O)(=O)N[C@H]2CNC[C@H]2C#N)sn1 1579153893 OJYRTSZEIHSFLC-APPZFPTMSA-N 302.381 -0.317 30 20 DBED C#CCN(CC)C(=O)C(=O)Nc1cc(C)c(-c2nn[nH]n2)cn1 1588350422 VLIGDGXORCZLTB-UHFFFAOYSA-N 313.321 -0.010 30 20 DBED C=C(CCC(=O)O)C(=O)N1CCC[C@H](CS(N)(=O)=O)C1 1588614444 VFDAROXEBRLZCG-JTQLQIEISA-N 304.368 -0.066 30 20 DBED N#Cc1nc(NCCN2CC[C@@H](O)C2)cnc1-c1nn[nH]n1 1592708068 RYWICOBAERVNMJ-MRVPVSSYSA-N 301.314 -0.993 30 20 DBED CCN(C[C@H](C)C#N)C(=O)CN1CCNC(=O)[C@@H]1CC(=O)O 1596230158 SWLJWOBAUFNZSG-MNOVXSKESA-N 310.354 -0.730 30 20 DBED N#Cc1sccc1S(=O)(=O)N1CC[C@@](O)(C(=O)O)C1 1601135692 KFBYQORAHSWTPH-JTQLQIEISA-N 302.333 -0.170 30 20 DBED C=CC[C@@H](CO)NCc1cnc2c(-c3nn[nH]n3)cnn2c1 1602816895 WMSXAAAGZPZLLD-JTQLQIEISA-N 300.326 -0.064 30 20 DBED CO[C@@]1(CNC(=O)[C@](C)(C#N)CC(=O)O)CCS(=O)(=O)C1 1604487651 SAZXTLGDNHHDPI-NWDGAFQWSA-N 318.351 -0.689 30 20 DBED CON=CC(=O)N1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 1605143460 VTHPZXKVQIFGCH-UHFFFAOYSA-N 316.325 -0.458 30 20 DBED C[C@]1(C#N)CCCN(C(=O)Cn2cnc(-c3nn[nH]n3)n2)C1 1609142392 XGJKYHSFOQCYKG-GFCCVEGCSA-N 301.314 -0.390 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)NCc1nnc(C)n1C 1647177046 ASOGOXUKUZDDDZ-VIFPVBQESA-N 300.388 -0.061 30 20 DBED C[C@H]1CN(C(=O)CN(C)CCCNC(=O)[C@H](C)C#N)CCO1 1751951901 ARLJBLOPCJTFBG-OLZOCXBDSA-N 310.398 -0.169 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)CCc2cn[nH]c2)C1 1752401874 XXLQRWHECMOCAE-CYBMUJFWSA-N 303.366 -0.718 30 20 DBED N#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@H]3CC[C@H](F)C3)[C@H]2C1 1752845648 ZQKQUUIYPZOJML-ZXPJVPCYSA-N 308.357 -0.189 30 20 DBED C=CCNC(=O)CN(CC)CCNC(=O)C12CCN(CC1)C2 1753092984 MAWDGGLCSPYQNY-UHFFFAOYSA-N 308.426 -0.178 30 20 DBED C=CCN1CCO[C@H](CNC(=O)CNC(=O)N2CCCC2)C1 1753648246 BXNIQVANPXXRNS-CYBMUJFWSA-N 310.398 -0.205 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@H]1CN(Cc2nncn2C)CCO1 1753650253 PJJAFKFKRVLGMA-WFASDCNBSA-N 323.397 -0.541 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@H](C)N(C)C(=O)C(C)(C)C(N)=O 1753697301 LSMJFUUNCNVQQE-QWRGUYRKSA-N 310.398 -0.928 30 20 DBED C#CCNCC[C@@H]1CCCCN1C(=O)CS(=O)(=O)N(C)C 1753787459 FTCZUPYQBUASJB-ZDUSSCGKSA-N 315.439 -0.128 30 20 DBED CCN(CCNCC(=O)NCC#N)C(=O)C12CCCN1CCC2 1754055284 KFYFVIVRXONHGI-UHFFFAOYSA-N 321.425 -0.307 30 20 DBED C=CCNC[C@H]1CCCC[C@@H]1NC(=O)CN1CCNC(=O)C1 1754347260 WXLLHGOIRUXZPO-KGLIPLIRSA-N 308.426 -0.131 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CNC(=O)c1cc(OCC)n[nH]1 1754486459 OYHIWZCKNNGAQL-LLVKDONJSA-N 319.365 -0.638 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CNC(=O)C12CCCN1CCC2 1754487990 UKVYMYXETHCIER-CQSZACIVSA-N 318.421 -0.445 30 20 DBED N#CCNC[C@H]1CC[C@H](NC(=O)Cn2c(O)nnc2O)CC1 1754957958 WCHJZHNVWVJEBZ-MGCOHNPYSA-N 308.342 -0.523 30 20 DBED O=C(CNC[C@@H]1CN(C(=O)C#CC2CC2)CCO1)NCC1CC1 1755001783 FLGSHRUHHOFKLE-OAHLLOKOSA-N 319.405 -0.257 30 20 DBED C=CCCCNC[C@@H]1CN(C(=O)C[C@H]2CC(=O)NC2=O)CCO1 1755017414 MVLWFKWVFBZESX-CHWSQXEVSA-N 323.393 -0.178 30 20 DBED C#CCN1CCC(CO)(NC(=O)c2cnc(O)cc2OC)CC1 1755181676 WWBAUFPBLPWOOV-UHFFFAOYSA-N 319.361 -0.014 30 20 DBED C=CCOCCN(C)[C@H](C)CNC(=O)C1CC(=O)NC(=O)C1 1755317589 IZQMSUYBFJEZPU-LLVKDONJSA-N 311.382 -0.322 30 20 DBED C#CCCN1C[C@@H]2C(CNC(=O)CN3CCC(=O)NC3=O)[C@H]2C1 1755434182 OUSUVFRQFYZDEF-CHWSQXEVSA-N 318.377 -0.754 30 20 DBED O=C1N[C@@H](C(=O)NC[C@@H](CO)NCC#Cc2ccccc2)CO1 1755624959 BNLBBZQEGOEPSV-UONOGXRCSA-N 317.345 -0.787 30 20 DBED C#CCN[C@@H](CO)CNC(=O)c1c(O)nnc(CC)c1CC 1755630404 IUENPDQCLWPKJE-SNVBAGLBSA-N 306.366 -0.380 30 20 DBED C#CCN[C@@H]1CCN(C(=O)CS(=O)(=O)CCOC)[C@@H]1C 1755656784 UCPJWAKYFNEJJV-VXGBXAGGSA-N 302.396 -0.740 30 20 DBED C[C@@H]1[C@@H](NC(=O)[C@@H]2[C@H]3COC[C@H]32)CCCN1CC(=O)NCC#N 1755716375 MAOSSVGEBFGSJJ-BIGJJFBESA-N 320.393 -0.512 30 20 DBED C#CCNC[C@@H]1CC[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)C1 1755746315 GYSSASCUNHGCKO-CHWSQXEVSA-N 305.382 -0.602 30 20 DBED CN(C[C@@H](O)CNCC#N)C(=O)Cc1cnn2ccccc12 1755781700 IDJWPEAMNWHGFR-ZDUSSCGKSA-N 301.350 -0.191 30 20 DBED COCC#CCN(C)C[C@@H](O)CN(C)C(=O)C[C@@H]1CCCO1 1755797601 FQOLNJMIWIIDKK-CABCVRRESA-N 312.410 -0.044 30 20 DBED C[C@H]1CCCN(C(=O)C(=O)N(C)CCOCCNCC#N)C1 1755876326 MHGLKOZGTNGJNL-ZDUSSCGKSA-N 310.398 -0.167 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C[C@@H]1CCCN1C(=O)c1cnn[nH]1 1755919383 GZUTXNFCVUQWCX-NEPJUHHUSA-N 319.365 -0.094 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C[C@@H](C)NC(=O)c1cc(=O)n(C)o1 1756453279 LJPOGPCNMJRKSX-MNOVXSKESA-N 323.349 -0.407 30 20 DBED C=CCC1(C(=O)N[C@@H](CO)CNC(=O)c2cn(C)nn2)CCC1 1756517538 JOMAYQGITHUZBF-LLVKDONJSA-N 321.381 -0.232 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H](O)CN(C)C(=O)[C@H](C)CC 1756654223 TVDHJBZKFNVCAG-NEPJUHHUSA-N 311.382 -0.893 30 20 DBED C#Cc1cncc(C(=O)NC[C@H](O)CN(C)C(=O)[C@@H](C)C#N)c1 1756676669 UILSIFWDJLPLRZ-FZMZJTMJSA-N 314.345 -0.228 30 20 DBED COCCN(CCOC)S(=O)(=O)N[C@@H](CCC#N)C(=O)O 1777211242 JYUMQYNPSZZQSR-JTQLQIEISA-N 323.371 -0.827 30 20 DBED N#CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cncnc1)C2 1795077927 DISHJXJLUFFXAV-DABQJJPHSA-N 315.333 -0.407 30 20 DBED N#CCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CNC(=N)N)C2 1795856057 VSVWXZAOQVDZOK-JGPRNRPPSA-N 306.370 -0.589 30 20 DBED C[C@@H](C(=O)N1CCCC12CN(C(=O)[C@@H](C)S)C2)n1cnnn1 1846648479 DVZQWHZZENXPGA-VHSXEESVSA-N 324.410 -0.244 30 20 DBED CCN(C)S(=O)(=O)N(CCC#N)CCN1CCOCC1 72709533 FCIFSQZOQKUHAF-UHFFFAOYSA-N 304.416 -0.269 30 20 DBED C#C[C@H](OC(=O)CCc1nc2c([nH]1)c(=O)[nH]c(=O)n2C)C1CC1 89491261 CWVRLZQVKJLSLD-VIFPVBQESA-N 316.317 -0.163 30 20 DBED C/N=C(/NC)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 261881905 RDWBVDVGGKVLLV-UHFFFAOYSA-N 315.355 -0.332 30 20 DBED C=CC[C@@H](C)NC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 265341193 PWIXTMXTNXLRFS-SNVBAGLBSA-N 319.365 -0.095 30 20 DBED C=CCNC(=O)CNC(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 271966490 MILDIYDUHYTVCZ-SNVBAGLBSA-N 318.399 -0.988 30 20 DBED COCCN(CCC#N)S(=O)(=O)NCc1c[nH]nc1C 286568249 IUZWNXZIGFWIBS-UHFFFAOYSA-N 301.372 -0.085 30 20 DBED O=C(NCC#CCO)[C@H]1CC=CC[C@H]1C(=O)N1CCOCC1 293809486 CKAWGUVUIGHNGD-UONOGXRCSA-N 306.362 -0.461 30 20 DBED CN1CCN(/C(O)=N/[C@H]2CCCN(S(C)(=O)=O)C2)CC1 328845618 XIFQYUXCSYZTTE-NSHDSACASA-N 304.416 -0.428 30 20 DBED CN1C[C@H](N/C(O)=N/CCN2CCCS2(=O)=O)CCC1=O 329406965 CXGGYDHGUTVDPO-SNVBAGLBSA-N 318.399 -0.854 30 20 DBED CCN1CCN(C/C(O)=N/C[C@]2(OC)CCOC2)C(=O)C1=O 329668913 RFJGIQFNSLQRDP-CQSZACIVSA-N 313.354 -0.561 30 20 DBED CNS(=O)(=O)c1ccc(C(=O)N2CCOC[C@H]2C#N)cc1 330907841 SZEBECRCDIKOHP-LLVKDONJSA-N 309.347 -0.041 30 20 DBED CN(CC(=O)N1CC(CO)C1)S(=O)(=O)c1ccc(C#N)cc1 331845669 HKURRWIIJICAMJ-UHFFFAOYSA-N 323.374 -0.371 30 20 DBED CCOC(=O)[C@@H](C)CNS(=O)(=O)N1CCO[C@H](C#N)C1 336890137 IXNVJSIIOPTDQR-VHSXEESVSA-N 305.356 -0.756 30 20 DBED C[C@@H]1C[C@@H](CNS(=O)(=O)N2CCO[C@H](C#N)C2)CCO1 336943610 LOCKLSMHBVXYRY-GRYCIOLGSA-N 303.384 -0.140 30 20 DBED CN(C)C(=O)[C@H]1CCC[C@H](NC(=O)NCC(=O)NCC#N)C1 358275811 NTOPPSMBNCZPHA-QWRGUYRKSA-N 309.370 -0.428 30 20 DBED CCN(CC#N)C(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 369018588 YNNNGNRVQFQOCU-CYBMUJFWSA-N 308.382 -0.461 30 20 DBED CC[C@@](COC)(NS(=O)(=O)N(C)C[C@@H](C)C#N)C(=O)OC 416515137 KVHPTAGVVWLMAK-JQWIXIFHSA-N 321.399 -0.120 30 20 DBED COCCNC(=O)CNS(=O)(=O)c1cccc(C)c1C#N 443075463 BFKNUOUNZNLNMP-UHFFFAOYSA-N 311.363 -0.092 30 20 DBED C#CCN(CC)C(=O)C(=O)Nc1ccc(S(C)(=O)=O)nc1 490575184 NIDFFHPAVCLOMU-UHFFFAOYSA-N 309.347 -0.095 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)Nc2cccnc2)CC1 491164375 AZUZBCITHKBUSC-UHFFFAOYSA-N 301.350 -0.020 30 20 DBED C#C[C@@H](CC)NC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C 491717275 VZDNDSKQSDKHHY-VIFPVBQESA-N 302.334 -0.283 30 20 DBED C[C@@H]1OC(=O)N[C@H]1C(=O)OCc1cc(O)n2ncc(C#N)c2n1 497255618 ZYZPKLXBMAUQOF-QUBYGPBYSA-N 317.261 -0.153 30 20 DBED CN(C)S(=O)(=O)NCCNC(=O)Cc1ccc(C#N)cc1 574409418 KQRNEVDLGFDAKM-UHFFFAOYSA-N 310.379 -0.387 30 20 DBED COC(=O)COCCNC(=O)Nc1cc(C)n(CCC#N)n1 596816577 KBTGCLHBKVSZQD-UHFFFAOYSA-N 309.326 0.416 30 20 DBED C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[C@@H]2CCN[C@@H]2C1 644225718 SATDLDMKBFQNTG-FQUUOJAGSA-N 307.394 -0.096 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2CCCN2S(C)(=O)=O)nn1 648335060 FIUCZVXWWIUZAP-SNVBAGLBSA-N 313.383 -0.382 30 20 DBED C=CCn1cc(C(=O)N2CCN(CC(=O)N(C)C)CC2)nn1 648716622 ZDTIQTICZLBFLS-UHFFFAOYSA-N 306.370 -0.690 30 20 DBED C=CCN1CCC(NC(=O)C(=O)N(C)C[C@@H](O)C2CC2)CC1 672355957 LNLCKOIBCXGQKH-CQSZACIVSA-N 309.410 -0.018 30 20 DBED Cn1cnc(C(=O)NCC#CCNC(=O)c2cn(C)cn2)c1 681340103 YMASAGUTBJQXFH-UHFFFAOYSA-N 300.322 -0.683 30 20 DBED CS(=O)(=O)NCCOC(=O)C#Cc1ccc2c(c1)OCO2 761212600 KKFBCSMWABBEEF-UHFFFAOYSA-N 311.315 -0.141 30 20 DBED C=CCS(=O)(=O)CCNC(=O)[C@@H]1CCCN(C(C)=O)C1 783541494 GPYCVHRUBQVBNQ-GFCCVEGCSA-N 302.396 -0.038 30 20 DBED CN1C(=O)CC[C@H]1C(=O)OCc1cc(O)n2ncc(C#N)c2n1 784676248 MYRAHWKNRGXLTG-JTQLQIEISA-N 315.289 -0.029 30 20 DBED C#CCC[C@@H](O)CNC(=O)c1cc(N2CCNC(=O)C2)ccn1 799079910 WUIWZLJJAHYDQS-CYBMUJFWSA-N 316.361 -0.478 30 20 DBED Cc1onc(N)c1S(=O)(=O)NC(=O)c1cc(C#N)cn1C 810830240 NRWPEDWEQYPYLA-UHFFFAOYSA-N 309.307 -0.106 30 20 DBED CCCNS(=O)(=O)NCCN/C(O)=C1/N=CC=CC1=O 813667778 XEDCFCBDKZBSTF-KHPPLWFESA-N 302.356 -0.653 30 20 DBED C=C[C@H](O)C(=O)NC[C@H]1CSCCN1C(=O)[C@H](O)C=C 831581796 QTYALWDYKMJZDT-GARJFASQSA-N 300.380 -0.860 30 20 DBED CN(C)S(=O)(=O)c1cccc(C(=O)N[C@H]2CNC[C@H]2C#N)c1 834504643 DKLGCIFSEIITHO-YPMHNXCESA-N 322.390 -0.222 30 20 DBED C#CCNC(=O)C1CCN(C(=O)NCCN(C)C(=O)OC)CC1 852657418 HQJNUWCFJMIKOZ-UHFFFAOYSA-N 324.381 -0.144 30 20 DBED N#C[C@@H]1CN([C@H]2CC(=O)N(CCCO)C2=O)CCN1C1CC1 864350010 ASYYAYDMZYPEOZ-OLZOCXBDSA-N 306.366 -0.832 30 20 DBED C#CCNS(=O)(=O)N1CCN(c2cc(CC)ncn2)CC1 872631667 BABFCZUMGFPPRX-UHFFFAOYSA-N 309.395 -0.371 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H]1CCCN(CCN2CCOCC2)C1 882635678 JHOPJMAUCALGMG-HOTGVXAUSA-N 323.437 -0.063 30 20 DBED C#CC1(O)CN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2O)C1 890524937 WQLCUSWTCRFINM-UHFFFAOYSA-N 324.358 -0.537 30 20 DBED C#CC1(O)CN(S(=O)(=O)c2cccc(C(=O)NCC=C)c2)C1 908229604 QKJJIKSYRZAQPW-UHFFFAOYSA-N 320.370 -0.029 30 20 DBED CCOC(=O)[C@H]1CCCN(CC(=O)NCC#CCN(C)C)C1 913525454 YCVPTAUWYAVHRL-AWEZNQCLSA-N 309.410 -0.057 30 20 DBED C#CCNC(=O)COC(=O)c1cc(S(=O)(=O)N(C)C)c[nH]1 915241348 PGRKPRTZVJRCCZ-UHFFFAOYSA-N 313.335 -0.829 30 20 DBED COc1c[nH]c(C(=O)N[C@H]2CCN(C(=O)[C@H](C)C#N)C2)cc1=O 938271068 GUGQPORADNPUOM-ZJUUUORDSA-N 318.333 -0.126 30 20 DBED C[C@@H]1CN(C(=O)Cn2nc3n(c2=O)CCCC3)C[C@H]1NCC#N 939483784 DFZZHMMGNOFZBL-VXGBXAGGSA-N 318.381 -0.659 30 20 DBED Cc1nn[nH]c1C(=O)N1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 940063470 FGPLHKVNPNPOIP-SNVBAGLBSA-N 313.321 -0.043 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)Cn3ncnn3)C2)cc1 940615383 AHIGIVXUKMJQPZ-CQSZACIVSA-N 324.344 -0.315 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](NC(=O)c2nnn(C(C)(C)C)n2)C1 940897954 BKSSJPMDHHLZHS-NXEZZACHSA-N 319.369 -0.082 30 20 DBED CC(=O)N1CC(C(=O)NC[C@H]2CCCN2C(=O)[C@H](C)C#N)C1 944250175 WXNUFZVAKONMLM-ZWNOBZJWSA-N 306.366 -0.268 30 20 DBED C[C@H]1C[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)CCN1CC#N 947762862 ZSKGVKBVBJVRMC-WDEREUQCSA-N 319.365 -0.810 30 20 DBED C#CCCN1CCC[C@@H](N(C)C(=O)C[C@@H]2NC(=O)NC2=O)CC1 948445147 ULBGMBAAMMKBTD-OLZOCXBDSA-N 320.393 -0.079 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H]2CNC(=O)[C@@H]2CCCO2)nn1 948885377 LDUFMLAEGBPAKL-AAEUAGOBSA-N 319.365 -0.026 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]1CNC(=O)c1cn2c(n1)COCC2 950805374 WOSZISWHXNPARS-MNOVXSKESA-N 317.349 -0.096 30 20 DBED C#CCN1CC(N(CC)C(=O)[C@H]2C[C@H](OC)CN2C(C)=O)C1 950990444 SOFPNKKIRYLXCX-LSDHHAIUSA-N 307.394 -0.212 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@]2(CCN(C(=O)Cn3cnnn3)C2)C1 953086479 LWURDSQVZBOCBH-SMDDNHRTSA-N 317.353 -0.716 30 20 DBED CN(C(=O)c1ccc(C#N)[nH]1)C1CN(C(=O)C2(C(N)=O)CC2)C1 954087007 ISZDOHVKJKUAKH-UHFFFAOYSA-N 315.333 -0.565 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(N(C)C(=O)[C@@H]2CCC(=O)N2)CC1 954119923 OPBJXVVUPPXOOB-JQWIXIFHSA-N 306.366 -0.126 30 20 DBED Cc1cccn(CC(=O)N(C)C2CN(C(=O)[C@H](C)C#N)C2)c1=O 954275521 GSUMVSFNXSXBPI-GFCCVEGCSA-N 316.361 -0.014 30 20 DBED C#CCN1C[C@H](CNC(=O)c2cn3c(n2)COCC3)[C@@H](O)C1 958180094 YFMWARNKZTVEDZ-AAEUAGOBSA-N 304.350 -0.931 30 20 DBED Cn1nnc2cc(C(=O)NC[C@H]3CN(CC#N)C[C@H]3O)ccc21 958184054 UFQZJQCZCDFWME-SMDDNHRTSA-N 314.349 -0.486 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC(=O)N2)C1 958745771 KFLDECZUJOZEMY-WOPDTQHZSA-N 323.393 -0.493 30 20 DBED C#CCCN1C[C@H](CNC(=O)c2cnc(OCC)cn2)[C@@H](O)C1 958763151 QPEKMHLKWKIGKG-JSGCOSHPSA-N 318.377 -0.079 30 20 DBED C=C(C)CN1C[C@H]2C(NC(=O)[C@@H]3Cc4cncn4C(=O)N3)[C@@H]2C1 961311163 HZOVTYPKTZKNHF-UPJWGTAASA-N 315.377 -0.012 30 20 DBED C#CCN1C[C@H]2[C@H](NC(=O)c3c4n(c(=O)n3C)CCCC4)[C@H]2C1 961770094 GFKYXDGKWFWVGG-IMRBUKKESA-N 314.389 -0.184 30 20 DBED C[C@H]1CN(C(=O)CC(N)=O)C[C@@H]1NC(=O)c1cc(C#N)c[nH]1 966251261 SNTYQNWRXCIDPQ-KWQFWETISA-N 303.322 -0.662 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)COC 968322377 KFRCMDFJEBLISB-ZNMIVQPWSA-N 319.405 -0.068 30 20 DBED C[C@H](NC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1)C1CN(CC#N)C1 969667349 JDIOUVXKVNARRZ-WDEREUQCSA-N 316.365 -0.277 30 20 DBED C=CCn1cc(C(=O)N[C@@H](C)C2CN(CC(=O)N(C)C)C2)nn1 970544250 IGBUELOMDNGDJH-NSHDSACASA-N 320.397 -0.398 30 20 DBED C=CCN1CC[C@@H](N2CC([C@H](C)NC(=O)c3cnon3)C2)C1=O 970623648 XEFHCCLSUCWYGP-GXFFZTMASA-N 319.365 -0.093 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2[C@@H]3CN(CC(=O)NC)C[C@H]23)nn1 978818246 OSYVUQBHQIIVJR-CNDDSTCGSA-N 318.381 -0.882 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)C(N)=O)C1 983209232 XUSMBGISYRJLMK-UTUOFQBUSA-N 309.366 -0.582 30 20 DBED C=CCN1CC[C@]2(NC(=O)C[C@@H]3NC(=O)NC3=O)CCC[C@@H]12 991101138 UCIFXDMLIPLYIM-FIXISWKDSA-N 306.366 -0.116 30 20 DBED Cc1c[nH]c(C(=O)N[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]2O)n1 991508657 MCBQREWMQKEBLK-OLZOCXBDSA-N 316.361 -0.177 30 20 DBED C#CCN1CCC([C@H](C)NC(=O)C2CC(=O)NC(=O)C2)CC1 997791594 OFMUQFKDFAWSMH-NSHDSACASA-N 305.378 -0.111 30 20 DBED C#Cc1ccc(C(=O)N2CC(NC(=O)Cn3cncn3)C2)cn1 1000108972 CPGHSTSBZFMFBF-UHFFFAOYSA-N 310.317 -0.705 30 20 DBED C#CCCN1CC=C(CNC(=O)[C@@H]2CCS(=O)(=O)N2)CC1 1001457688 ZFJBLFGNXRMGFV-ZDUSSCGKSA-N 311.407 -0.550 30 20 DBED N#Cc1cc(C(=O)N2CC(CNC(=O)[C@@H]3CCC(=O)N3)C2)c[nH]1 1003475601 RYRDMEYSIOTZOH-LBPRGKRZSA-N 315.333 -0.647 30 20 DBED CN(C(=O)C(N)=O)C1CCC(NC(=O)c2cc(C#N)c[nH]2)CC1 1004206912 WLLPUGRBJQTDLK-UHFFFAOYSA-N 317.349 -0.129 30 20 DBED N#CCN1CCC[C@@H](NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 1007322496 VOTSCARSJIOTBB-NWDGAFQWSA-N 316.365 -0.133 30 20 DBED CN1CC[C@H](C(=O)N[C@@H]2CCCN(CC#N)C2)S1(=O)=O 1008840111 LVZFQOPTVHPKHF-GHMZBOCLSA-N 300.384 -0.876 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCCN(C(=O)Cc3nc[nH]n3)C2)C1 1010831258 UKJFCLVFOREMBY-LLVKDONJSA-N 316.365 -0.042 30 20 DBED N#CCN1CC[C@@H]2[C@H](CCCN2C(=O)CN2CCNC(=O)C2)C1 1021650864 BJVJEPSVGHZRHE-ZIAGYGMSSA-N 319.409 -0.745 30 20 DBED Cc1ccc(CC(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2O)o1 1023440070 HZJUWYXJIPPGEM-ZWKOPEQDSA-N 305.334 -0.022 30 20 DBED COC1CC(C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2O)C1 1024198400 MOHUCAQEQDUFGQ-NWINJMCUSA-N 306.362 -0.487 30 20 DBED N#Cc1c[nH]c(C(=O)N2C[C@@H]3[C@@H](CC[C@H]3NCC(N)=O)C2)c1 1026230103 WKONJROFCPFYMC-QJPTWQEYSA-N 301.350 -0.188 30 20 DBED C=CCN[C@@H]1CC[C@H]2CN(C(=O)Cn3ncn(C)c3=O)C[C@H]21 1026298665 RZPZQXJCDDRFHQ-YNEHKIRRSA-N 305.382 -0.406 30 20 DBED C=C(Cl)CN1CC[C@H](CNC(=O)[C@H]2CCS(=O)(=O)N2)C1 1028990780 QQWFEINBTQXLLM-GHMZBOCLSA-N 321.830 -0.131 30 20 DBED CNC(=O)CN1[C@H]2CC[C@H]1CN(C(=O)c1ccc(C#N)[nH]1)C2 1029275245 YODHUOWGYREYBV-RYUDHWBXSA-N 301.350 -0.079 30 20 DBED Cn1[nH]c(CN2CC(CNC(=O)c3cc(C#N)c[nH]3)C2)nc1=O 1031603801 XXDGNWUYUKWLTP-UHFFFAOYSA-N 315.337 -0.830 30 20 DBED COCCN1C[C@@H](C(=O)N(C)[C@@H]2CCN(CC#N)C2)CC1=O 1033130361 XDGUPBNXGRLIFG-QWHCGFSZSA-N 308.382 -0.462 30 20 DBED C#Cc1cncc(C(=O)N(C)[C@@H]2CCN(CC(=O)NC)C2)c1 1033406222 STZZORRIKHYLTG-CQSZACIVSA-N 300.362 -0.045 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CC[C@H](N[C@H](C)C(N)=O)CC2)nn1 1034751029 HOEWITSUZNADJJ-IJLUTSLNSA-N 320.397 -0.032 30 20 DBED C[C@@H](C(N)=O)N1CCO[C@@H](CNC(=O)c2c[nH]c(C#N)c2)C1 1035336616 LPVBXVJMEQAOAP-CABZTGNLSA-N 305.338 -0.809 30 20 DBED CC#CCN1CCO[C@@H](CNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1035455815 ZWGUQERSHSEWEN-YHUYYLMFSA-N 322.405 -0.122 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)c2ccc(CNC(C)=O)o2)C1 1035550408 NPRCTIYKWARPNT-AWEZNQCLSA-N 319.361 -0.021 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2CN([C@@H](C)C(N)=O)CCO2)nc1 1035583187 MUOLBUHHBCHKOV-WCQYABFASA-N 316.361 -0.633 30 20 DBED C[C@H](C#N)C(=O)N1CCC2(CC1)CN([C@@H]1CCC(=O)NC1=O)C2 1035671554 SRBXOBBDRRZETR-VXGBXAGGSA-N 318.377 -0.124 30 20 DBED C=C(C)CN[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)C[C@H]1C 1036283234 FJIFUJQXURXLLW-NEPJUHHUSA-N 308.382 -0.059 30 20 DBED CC#CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)Cn1ccc(O)nc1=O 1037494213 WAGZUIIXIHQHGR-SUNKGSAMSA-N 302.334 -0.839 30 20 DBED C=CCN1CC[C@@H]1CNC(=O)c1nc(C)n(-c2nc[nH]n2)n1 1038575946 PGZMRKGDQKMNFB-SNVBAGLBSA-N 302.342 -0.316 30 20 DBED C=CCO[C@H](C)C(=O)NC[C@]1(O)CCN(C(=O)CCOC)C1 1040160670 HDPAJNFGLIEYTF-IUODEOHRSA-N 314.382 -0.306 30 20 DBED N#CCN1CCC2(CC1)CCN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)C2 1040847608 SNXNRZUAOIJGJL-QWHCGFSZSA-N 320.393 -0.143 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)c2nccnc2N)C1 1042174596 LWLZDNFKMIRNCG-UHFFFAOYSA-N 317.349 -0.835 30 20 DBED C=CCCCC(=O)N1CC(O)(CNC(=O)Cc2cc[nH]n2)C1 1042269505 IMXYZICAJDTEHA-UHFFFAOYSA-N 306.366 -0.002 30 20 DBED CO[C@H](C)CC(=O)N1CC(O)(CNC(=O)c2c[nH]c(C#N)c2)C1 1042669885 ZLCHJEHTLJVZQZ-SNVBAGLBSA-N 320.349 -0.386 30 20 DBED O=C(NCC1(O)CN(C(=O)C#CC2CC2)C1)c1ccc(F)cn1 1042700589 FSFKKVPNQBKKRD-UHFFFAOYSA-N 317.320 -0.063 30 20 DBED CCO[C@H]1C[C@H]1C(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042959031 UBDBGKARBSCBTC-OLZOCXBDSA-N 306.362 -0.486 30 20 DBED C=CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)Cn2ccnc2)C1 1043577806 XQSSUXCNGGPJHX-GFCCVEGCSA-N 322.365 -0.836 30 20 DBED Cc1ccnc(N2C[C@H](O)[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)n1 1043885524 CLBYIMNYZAYBMD-OLZOCXBDSA-N 312.333 -0.036 30 20 DBED C=CCCCC(=O)N1CC(O)(CNC(=O)[C@@]2(C)CNC(=O)C2)C1 1043946463 WHNKXYXEWXBXIL-OAHLLOKOSA-N 323.393 -0.442 30 20 DBED N#CCN1CC[C@@H](N2CCN(C(=O)[C@H]3CCNC(=O)C3)CC2)C1 1046020400 SCGAMTOKRQKUQD-UONOGXRCSA-N 319.409 -0.745 30 20 DBED C#CCN1CC[C@H](N2CCN(C(=O)c3cn(C)nn3)CC2)C1 1046028652 DPWIPNGAIHCJLP-ZDUSSCGKSA-N 302.382 -0.720 30 20 DBED C[C@@H](C(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1)[C@H]1CCCO1 1046249420 FIGVEOLLOVZUTM-TZMCWYRMSA-N 320.389 -0.096 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2COCCN2C)C1 1047356268 XEUMACFFMGJBMR-XQQFMLRXSA-N 317.817 -0.427 30 20 DBED CN(C(=O)c1cn2c(n1)CCCC2)[C@H]1CN(CC#N)C[C@@H]1O 1047402922 YYDXPGJDNVPENE-STQMWFEESA-N 303.366 -0.140 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@]2(C)CCC(=O)NC2)C1 1047497165 QFINSAMAVQRPFU-HEHGZKQESA-N 307.394 -0.571 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccnc(NC(C)=O)c2)C1 1047568456 GKCLJKLNKNJMDF-KBPBESRZSA-N 316.361 -0.210 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)CN2CCCCCC2=O)C1 1047621237 KKKNMDPJRYYIEL-GJZGRUSLSA-N 321.421 -0.084 30 20 DBED C=C(C)CCC(=O)N(C)[C@H]1CN(C(=O)CNC(N)=O)C[C@@H]1O 1048935563 WLSIGWJRJDIHJC-QWRGUYRKSA-N 312.370 -0.959 30 20 DBED C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1nnc(O)nc1O 1049574026 YHKFFURTRSUAQS-VHSXEESVSA-N 303.322 -0.405 30 20 DBED C#CCN1C[C@@H]2CCCN(C(=O)c3ccc(=O)n(C)n3)[C@@H]2C1 1050197679 DMWSGXRQIBSITH-GXTWGEPZSA-N 300.362 -0.050 30 20 DBED C#CCCN1CCOC[C@H]1CNC(=O)[C@H]1COCCN1CC 1050994075 XNEUKFKLBZPMPN-HUUCEWRRSA-N 309.410 -0.453 30 20 DBED CN1CCC[C@H](NC[C@H]2CN(C(=O)C#CC3CC3)CCO2)C1=O 1051609020 MOYHOXSRICYIDG-GJZGRUSLSA-N 319.405 -0.162 30 20 DBED Cn1cncc1C(=O)N1CC[C@@H](N2CCN(CC#N)CC2)C1 1052047204 ITNXIQYRYLWQOQ-CYBMUJFWSA-N 302.382 -0.224 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)c3ccc(C(N)=O)o3)CO2)C1 1053863321 KXUZIVCROACSLK-LLVKDONJSA-N 317.345 -0.025 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)[C@@H]3CCCN3C(N)=O)CO2)C1 1054025259 USGOSQOOSSMPCT-OLZOCXBDSA-N 320.393 -0.488 30 20 DBED Cn1nccc1CC(=O)NC1[C@H]2CN(c3nccnc3C#N)C[C@H]12 1056173927 RQZSZZNPUSAXOH-RYUDHWBXSA-N 323.360 -0.125 30 20 DBED N#Cc1cncc(N2C[C@H]3C(NC(=O)Cc4cncnc4)[C@@H]3C2)n1 1056189680 CAPKLOPSIGKEHQ-CHWSQXEVSA-N 321.344 -0.068 30 20 DBED Cc1cc(C#N)nc(N2C[C@@H]3C(NC(=O)c4cnnn4C)[C@H]3C2)n1 1056196085 YVIYLZPRYJQWCE-QWRGUYRKSA-N 324.348 -0.350 30 20 DBED N#Cc1cncc(N2C[C@@H]3C(NC(=O)Cn4nccn4)[C@H]3C2)n1 1056316324 UUSJQEKHWHFGFI-QWRGUYRKSA-N 310.321 -0.809 30 20 DBED N#Cc1cncc(N[C@@H]2CCN(C(=O)[C@@H]3COC(=O)N3)C2)n1 1056619112 WDAFGNKEGZABFI-SCZZXKLOSA-N 302.294 -0.531 30 20 DBED C=CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)[C@@H](C)OCC 1057060729 NTYHXRZXWCIRFS-QWHCGFSZSA-N 316.398 -0.060 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)c1ccn(C)c(=O)c1 1057174959 OXVRMQAXHPYJFP-UHFFFAOYSA-N 321.377 -0.098 30 20 DBED Cc1nonc1C(=O)NCCN(CCO)C(=O)C#CC(C)C 1057525158 KJQLRNAZIKNYNO-UHFFFAOYSA-N 308.338 -0.412 30 20 DBED CS(=O)(=O)CC(=O)N1CCC[C@H](Nc2ccc(C#N)nn2)C1 1057577719 OQQFOANPNNYSFD-NSHDSACASA-N 323.378 -0.204 30 20 DBED N#Cc1nccc(N2CCC(NC(=O)Cn3ncnn3)CC2)n1 1057902814 AWVNVHXCGHFKRP-UHFFFAOYSA-N 313.325 -0.880 30 20 DBED CN1CC[C@H](C(=O)N[C@@H]2CCN(c3cnc(C#N)cn3)C2)C1 1058373899 SBSUDXDZHBNGAD-NWDGAFQWSA-N 300.366 -0.005 30 20 DBED C=C1CC(C)(C(=O)N(CCO)CCNC(=O)Cn2cncn2)C1 1058771126 RQAVSKBFDISHKM-UHFFFAOYSA-N 321.381 -0.429 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)[C@H]1CN(C)C[C@H]1C 1058846892 IIUOOOZABQSUCS-CABCVRRESA-N 323.437 -0.075 30 20 DBED CN1CC[C@@H](C(=O)N[C@H]2C[C@@H](N=c3cc[nH]cc3C#N)C2)C1=O 1059786379 OSERIGMWNJCYFJ-XQQFMLRXSA-N 313.361 -0.087 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@@H]1CCN(C(=O)[C@H](C)C#N)C1 1060288819 GACPGWQEOPNLNK-CHWSQXEVSA-N 318.377 -0.360 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)CCCC(N)=O 1061852567 JWKKKMXIJLMXFO-MNOVXSKESA-N 310.354 -0.855 30 20 DBED C#CCNC(=O)CC(=O)NC1(CNC(=O)[C@H]2C[C@@H]2C)CCC1 1062436237 UTXTXWNYNZIRPW-RYUDHWBXSA-N 305.378 -0.063 30 20 DBED C=CCO[C@@H](C)C(=O)NC1(CNC(=O)[C@H]2C[C@H]2C(N)=O)CCC1 1064566511 GPWHIVUBIJDRMI-TUAOUCFPSA-N 323.393 -0.146 30 20 DBED Cc1cncn1CC(=O)NC[C@H]1CN(C(=O)[C@@H](C)C#N)CCO1 1065560165 JDBYTYNCUDJCTL-AAEUAGOBSA-N 319.365 -0.305 30 20 DBED N#Cc1ccc(N2C[C@@H]3C(CNC(=O)c4cnn[nH]4)[C@H]3C2)nn1 1068210061 PYHRLSAFKRCCLE-GHMZBOCLSA-N 310.321 -0.421 30 20 DBED CCN(C)CCC(=O)N[C@H]1COC2(C1)CN(C(=O)[C@@H](C)C#N)C2 1069035793 OHIQAGHSWSJWCT-QWHCGFSZSA-N 322.409 -0.026 30 20 DBED C[C@@H]1C[C@H](N=c2cc[nH]c(C#N)n2)CN1C(=O)c1cn(C)nn1 1069087649 SCRBJLVDIITAIK-ZJUUUORDSA-N 312.337 -0.386 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)[C@@H]2COC(=O)N2)CCOCC1 1070098181 QZWUFMTXPHQWFO-UWVGGRQHSA-N 324.337 -0.964 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2snnc2C)C[C@@H]1n1ccnn1 1070136193 UCLOCCAVORGTKF-MNOVXSKESA-N 317.378 -0.273 30 20 DBED N#CCN[C@@H]1CN(C(=O)CC2OCCCO2)C[C@@H]1n1ccnn1 1070181759 AHYAWQVUTUQTBO-NEPJUHHUSA-N 320.353 -0.704 30 20 DBED C=CCN[C@@H]1CN(C(=O)[C@H]2CCN(C)C2=O)C[C@@H]1n1ccnn1 1070255162 PHTQXKHZLRASLU-XQQFMLRXSA-N 318.381 -0.716 30 20 DBED C=CCOCC(=O)N[C@@H]1CCCN(C(=O)CCn2ccnn2)C1 1070660657 CYLVKTSXESHDKU-CYBMUJFWSA-N 321.381 -0.022 30 20 DBED C#CCN1CC[C@]2(C1)CN(C(=O)c1cnn(C)n1)C[C@H](C)O2 1071220567 HTXCLFSVYZIDPF-WFASDCNBSA-N 303.366 -0.246 30 20 DBED C[C@@H]1CN(C(=O)CSCC#N)C[C@@H]1NC(=O)c1nnn(C)n1 1071659340 WJAUBUKKPQLTKM-BDAKNGLRSA-N 323.382 -0.956 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2CN(CCOC)CCCO2)nn1 1073807262 KFACNJLRIYLVBP-CYBMUJFWSA-N 323.397 -0.069 30 20 DBED C#CCCN1CCO[C@H]2CCN(C(=O)C3CN(C(C)=O)C3)C[C@@H]21 1074226260 MULUCUJCTBOGIR-HOTGVXAUSA-N 319.405 -0.210 30 20 DBED C=CCCN1CCO[C@H]2CCN(C(=O)CCn3cnnn3)C[C@@H]21 1074368106 ABIUIIUXZBVKAD-KBPBESRZSA-N 320.397 -0.059 30 20 DBED C=CCCOCC(=O)NCC1(O)CCN(C(=O)COC)CC1 1074420968 ZPYSMAMOQAXMMH-UHFFFAOYSA-N 314.382 -0.305 30 20 DBED C=CCCOCC(=O)N[C@@H](C)CCNC(=O)CNC(=O)OC 1075766200 ZLDYPQCERWFRDW-NSHDSACASA-N 315.370 -0.054 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)c1ccon1 1076218150 YEHZVKQLPSMAJA-JTQLQIEISA-N 306.322 -0.561 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2cnn3cccc(OC)c23)C1 1077849926 WGHOARAHUBBYNJ-CHWSQXEVSA-N 314.345 -0.249 30 20 DBED C[C@@H]1CN(Cc2nc(O)n[nH]2)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 1079589218 YDCFOQWPVFOCNT-LDYMZIIASA-N 315.337 -0.040 30 20 DBED C#CCOCCC(=O)N(CC)C1CN(C(=O)c2cnn(C)n2)C1 1079772296 OIHOBIPJRFSTPF-UHFFFAOYSA-N 319.365 -0.472 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(N(CC)C(=O)c2cnn[nH]2)C1 1080067394 XWJJTSUVDUHLAP-CQSZACIVSA-N 307.354 -0.195 30 20 DBED C=CCOCC(=O)N1CC(N(CC)C(=O)[C@@H](COC)OC)C1 1080493866 SYHWSUXEOHJVFY-CYBMUJFWSA-N 314.382 -0.090 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)c2ncccn2)C[C@H]1O 1081335650 NMCPZOZSSYODQF-VXGBXAGGSA-N 304.350 -0.008 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2coc(C)n2)C[C@@H]1O 1081346346 HFSNYQUIUDGZFK-AAEUAGOBSA-N 323.349 -0.265 30 20 DBED CO[C@@H]1CN([C@H]2CCNC2=O)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 1081501014 ZHKJRQHPMYKCMI-FRRDWIJNSA-N 317.349 -0.796 30 20 DBED C=CCC(CC=C)C(=O)NC[C@@H]1CN(C(=O)C(N)=O)C[C@@H]1O 1081510766 CRXFIELGOYHQJL-NEPJUHHUSA-N 309.366 -0.824 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](O)[C@H](CNC(=O)Cc2ncc[nH]2)C1 1081693846 XUDYUFYDBFFCBJ-CHWSQXEVSA-N 318.377 -0.453 30 20 DBED C=CCCCC(=O)NC[C@H]1CN(C(=O)c2cnnn2C)C[C@@H]1O 1081702293 DHTZIBDNMZNKOR-AAEUAGOBSA-N 321.381 -0.280 30 20 DBED C#CCCCC(=O)N1C[C@H](CNC(=O)c2n[nH]cc2F)[C@@H](O)C1 1081745278 ZFPQDKVKSKBYLZ-JQWIXIFHSA-N 322.340 -0.099 30 20 DBED C=CCN1C[C@@H](NC(=O)[C@@H]2CCCN(C(N)=O)C2)[C@H](OC)C1 1081915607 OEPYJNAVNBXTIV-JHJVBQTASA-N 310.398 -0.222 30 20 DBED C#CCN1C[C@@H](NC(=O)C(=O)N2CCC[C@@H]2CC)[C@H](OC)C1 1082310303 KFDAHYVOYDXCIH-BFHYXJOUSA-N 307.394 -0.164 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCCN(CC(F)F)C2)C1 1083733829 GGCWNQYTANQAFU-XQQFMLRXSA-N 315.364 -0.242 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)c2ccnc3nc(C)nn23)C1 1083948095 NMTKVWCLNCQBGF-PWSUYJOCSA-N 302.338 -0.606 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](C)C[C@H]1CNCc1nc(=O)n(C)[nH]1 1087135906 DHCHTMMORBYRSE-WOPDTQHZSA-N 320.397 -0.015 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2cccn3nnnc23)[C@H](O)C1 1090295171 LWQBPVQVAQESMC-QWHCGFSZSA-N 314.349 -0.687 30 20 DBED C=C(C)CCN1CC[C@@H](NC(=O)CN2CCCNC2=O)[C@@H](O)C1 1090392212 RCDHTNHEZARUGR-KGLIPLIRSA-N 324.425 -0.081 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1O 1090494769 JONSLLJAFLEZFV-CHWSQXEVSA-N 315.333 -0.946 30 20 DBED Cn1nc(C2CC2)nc1CC(=O)N[C@@H]1CCN(CC#N)C[C@@H]1O 1090825325 XXUUIMBEDVKJIN-NEPJUHHUSA-N 318.381 -0.690 30 20 DBED CC(=O)NCC(=O)N1C[C@@H](N=c2cc[nH]cc2C#N)[C@H](C)C1 1090951711 MNXHDQWYNMALOY-QMTHXVAHSA-N 301.350 -0.230 30 20 DBED CC[C@H](OC)C(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1091088171 YVALFMBYUNCHCL-WOPDTQHZSA-N 305.338 -0.561 30 20 DBED C[C@H](NC(N)=O)C(=O)NC[C@H]1C[C@H](N=c2cc[nH]c(C#N)n2)C1 1091454995 ZQJWETGJTKJOLC-GUBZILKMSA-N 317.353 -0.866 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(c2ccc3nnnn3n2)[C@@H]1C 1091949935 DNXAISZOQWKXRO-MNOVXSKESA-N 317.353 -0.195 30 20 DBED C[C@@H](CC(N)=O)C(=O)N[C@H]1CCN(c2cncc(C#N)n2)[C@@H]1C 1092033838 PKJSUHOQHIWVLH-UMNHJUIQSA-N 316.365 -0.057 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)C3=CCOCC3)CC2=O)C1 1094731672 QJSHVYRMSAVIDJ-ZDUSSCGKSA-N 303.362 -0.632 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](Nc2nccc(OC)n2)C1 1095034720 DPKXSZNDNUEVOP-LLVKDONJSA-N 317.349 -0.363 30 20 DBED CCNC(=O)CC(=O)N1CC[C@@H](Nc2cnc(C#N)cn2)C1 1095036778 QUYUNXJLSGFDSX-SNVBAGLBSA-N 302.338 -0.113 30 20 DBED CCC(=O)NCC(=O)NC[C@H](N=c1cc[nH]c(C#N)n1)C1CC1 1096599567 BVFQQKFPOWABJL-NSHDSACASA-N 316.365 -0.397 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](N=c2cc[nH]cc2C#N)C1 1096937941 XXZVGOXZDLTUIY-ZDUSSCGKSA-N 311.345 -0.473 30 20 DBED C=CCNCc1cn([C@H]2CCN(C(=O)C(C)(C)C(N)=O)C2)nn1 1098682910 KBEGXJFLGMYDHB-LBPRGKRZSA-N 320.397 -0.161 30 20 DBED C[C@@H](CCNC(=O)CS(C)(=O)=O)N=c1cc[nH]cc1C#N 1098852890 MIHZAIWGFZTGTQ-JTQLQIEISA-N 310.379 -0.274 30 20 DBED C[C@@H](CCNC(=O)[C@H]1COCCN1C)Nc1cnc(C#N)cn1 1099021175 NCFLXVBKWFKJCO-WCQYABFASA-N 318.381 -0.014 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)c2cc[n+]([O-])cc2)[C@H](O)C1 1099639745 OLLVFTPAJIELEL-LSDHHAIUSA-N 321.377 -0.312 30 20 DBED CCNC(=O)CN1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)[C@H](O)C1 1099757214 AVASLNMPJSOBCJ-WCQYABFASA-N 319.365 -0.813 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)c2coc(C)n2)[C@H](O)C1 1099792680 XYWYZROTGQWABO-WCQYABFASA-N 322.365 -0.550 30 20 DBED C=CCC(C)(C)C(=O)N[C@H]1CCN(Cc2nnnn2C)C[C@H]1O 1100020680 RAINKBHRQUOCHU-NWDGAFQWSA-N 322.413 -0.136 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)CCN2CCOCC2)[C@H](O)C1 1100037218 VYZBQWPHTFSCEO-HUUCEWRRSA-N 311.426 -0.164 30 20 DBED C[C@H](CC(N)=O)C(=O)N(C)[C@H]1CCN(c2cncc(C#N)n2)C1 1102752340 FOQTVLQXUBMPQT-PWSUYJOCSA-N 316.365 -0.103 30 20 DBED C[C@@H](C(=O)NC[C@@H](C)CN=c1cc[nH]cc1C#N)S(C)(=O)=O 1104255494 AHYGSQGGVSRIDE-QWRGUYRKSA-N 324.406 -0.028 30 20 DBED CC(=O)N1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H](CCNCC#N)C2)C1 1104967734 ZAIPAWMNMZQNDA-BPLDGKMQSA-N 322.409 -0.169 30 20 DBED CN(CCN(C)c1nccnc1C#N)C(=O)[C@@H]1CCCNC1=O 1105486300 VMQPZLCVKJMJGA-LLVKDONJSA-N 316.365 -0.231 30 20 DBED N#Cc1nc(=NC[C@H](O)CNC(=O)[C@H]2CCCOC2)cc[nH]1 1105741391 FKHAHLYWWMLCGC-QWRGUYRKSA-N 305.338 -0.914 30 20 DBED Cc1ncc(C(=O)NC[C@H](O)CNc2nccnc2C#N)[nH]1 1105750177 HYCIYRZLHITOAM-SECBINFHSA-N 301.310 -0.417 30 20 DBED N#CCSCC(=O)NC[C@H](O)CNc1cncc(C#N)n1 1105755228 QHDUXXJYNRTNPQ-SNVBAGLBSA-N 306.351 -0.506 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)[C@H]2COCCO2)cn1 1105780782 VLIXQJZVERACSG-CHWSQXEVSA-N 306.322 -0.742 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H](O)CNC(=O)C[C@@H]1COC(=O)C1 1105819635 HRFGLGROTYBATI-JQWIXIFHSA-N 318.333 -0.783 30 20 DBED CN1CC[C@H](C(=O)NC[C@H](O)CNc2ccc(C#N)nc2)C1 1105853099 HELKIPGEBBETIF-SMDDNHRTSA-N 303.366 -0.206 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)c2cnnc(O)c2)nn1 1105993487 NVRKUJCLTVTUHM-JTQLQIEISA-N 315.293 -0.953 30 20 DBED C[C@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)[C@@H]1CCC(=O)N1 1106393721 XAMVPAXHDBYGHC-ZJUUUORDSA-N 302.338 -0.645 30 20 DBED C[C@@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)C1(C(N)=O)CC1 1106550478 WCUOJUZVWMUYMN-VIFPVBQESA-N 302.338 -0.658 30 20 DBED N#CCSCC(=O)NCc1cn(C2CN(CCF)C2)nn1 1107129786 PKSOOBHSGQLYTC-UHFFFAOYSA-N 312.374 -0.023 30 20 DBED C#CCO[C@H](C)C(=O)NCc1cn(C2CN(C[C@H](C)O)C2)nn1 1107169728 QEBOMWSQYILILC-NWDGAFQWSA-N 321.381 -0.830 30 20 DBED C=CCCN1CCO[C@](C)(CNC(=O)[C@@H]2CN(C)C(=O)N2)C1 1108119567 PJVQTAKAVMHYAO-SWLSCSKDSA-N 310.398 -0.207 30 20 DBED CC#CCN1CCO[C@@](C)(CNC(=O)[C@H]2CCN(C)C2=O)C1 1108145556 MBHNQZMXRSKSOD-CJNGLKHVSA-N 307.394 -0.305 30 20 DBED C=CCOCCN1CCO[C@](C)(CNC(=O)c2cnn(C)n2)C1 1108277943 BWGCPTYOEFMGET-OAHLLOKOSA-N 323.397 -0.162 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cn1cnnn1 1108907305 KZPITKVJCPFQBK-AGIUHOORSA-N 304.354 -0.956 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)CN(C)c1ccc(C)nn1 1108940719 IKQLOXFFPFKPHK-GFCCVEGCSA-N 303.366 -0.135 30 20 DBED C[C@H](CN(C)c1ccnc(C#N)n1)NC(=O)[C@H]1COCCN1C 1108943435 RSWSMIFELIMGME-VXGBXAGGSA-N 318.381 -0.380 30 20 DBED C[C@H](CN(C)c1ccnc(C#N)n1)NC(=O)[C@@H]1CCCNC1=O 1109127890 BQPHDDAQXWAQKL-GHMZBOCLSA-N 316.365 -0.185 30 20 DBED C[C@@H](CN(C)c1ccc(C#N)nn1)NC(=O)[C@]1(C)CCNC1=O 1109240954 XDKOQGGUQBPSTE-ZUZCIYMTSA-N 316.365 -0.185 30 20 DBED Cc1cc(C#N)nc(NCCCN(C)C(=O)[C@H]2CNC(=O)N2)n1 1109599020 VGRDVWSNAIFMTO-LLVKDONJSA-N 317.353 -0.402 30 20 DBED CS(=O)(=O)CC(=O)N[C@@H](CN=c1cc[nH]cc1C#N)C1CC1 1109768899 QPLSKHWPCCAZLL-ZDUSSCGKSA-N 322.390 -0.274 30 20 DBED N#Cc1ccc(NC2CCN(CCNC(=O)C(N)=O)CC2)nc1 1111322725 XYNISZQOIXGZHR-UHFFFAOYSA-N 316.365 -0.569 30 20 DBED CCOCC(=O)NC[C@H]1COCCN1c1nccnc1C#N 1111650918 HKKBSELOYYFRHY-NSHDSACASA-N 305.338 -0.294 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1COCCN1c1ncnc2[nH]cnc12 1111663443 WCXPHVUBKRKQAE-ZJUUUORDSA-N 315.337 -0.166 30 20 DBED CN(C[C@H]1CCCN1C(=O)CNC(N)=O)c1cncc(C#N)n1 1112780067 QJWBZJMNQNCHFU-LLVKDONJSA-N 317.353 -0.556 30 20 DBED CCOCCNC(=O)CN1CCN(C(=O)C#CC2CC2)CC1 1112824999 OSQZKTJZFBMTBJ-UHFFFAOYSA-N 307.394 -0.303 30 20 DBED CCN(C)C(C)(C)C(=O)N1CCN(CC(=O)NCC#N)CC1 1113032858 KZIUFQVQUKPKCJ-UHFFFAOYSA-N 309.414 -0.499 30 20 DBED COCC#CCN1CCN(C(=O)c2cn(C)ccc2=O)CC1 1113088160 OGVPQHNTDULJAE-UHFFFAOYSA-N 303.362 -0.207 30 20 DBED C[C@@H](CNC(=O)[C@@H]1COCCN1C)N(C)c1ccnc(C#N)n1 1113561013 QOSIQFHLLPVVGO-RYUDHWBXSA-N 318.381 -0.380 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)N(C)c1ncccc1C#N 1113870378 XRFXALJTDJTVEM-ONGXEEELSA-N 302.338 -0.424 30 20 DBED CNC(=O)CC(=O)N[C@H]1CN(c2ccc(C#N)nn2)CC[C@@H]1C 1114011921 XBDCEGCZOBMUJY-JQWIXIFHSA-N 316.365 -0.185 30 20 DBED N#CCNC(=O)CN1C[C@H]2C(NC(=O)[C@@H]3CCCOC3)[C@@H]2C1 1114028228 POAJIHZUTGGOHQ-IJLUTSLNSA-N 306.366 -0.901 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)c3ccc(C#N)[nH]3)[C@@H]2C1 1114143648 RSQQQLCTDPLRDD-VXGBXAGGSA-N 311.345 -0.704 30 20 DBED COCC#CCN1C[C@@H]2C(NC(=O)c3cc(=O)n(C)o3)[C@H]2C1 1114175448 DPRKXFCWBGXAFK-QWRGUYRKSA-N 305.334 -0.712 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)Cc3cnc(C)o3)[C@H]2C1 1114401047 MVTXUWNBDDZGDO-STQMWFEESA-N 316.361 -0.679 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)[C@@]3(C)CCNC3=O)[C@@H]2C1 1114826215 GFXCNOWOCNZXAR-HSMVNMDESA-N 305.378 -0.791 30 20 DBED C[C@H](CCCN=c1cc[nH]c(C#N)n1)NC(=O)c1cnnn1C 1114900305 LPHCMTURBSBBLU-SNVBAGLBSA-N 314.353 -0.091 30 20 DBED COCCC[C@H](C)C(=O)NC1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]12 1115086154 OSSBDZUUYVPERS-YNEHKIRRSA-N 322.409 -0.265 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)C34CCN(CC3)C4)[C@@H]2C1 1115121004 KAJLAPQHGACMNO-CHWSQXEVSA-N 318.421 -0.569 30 20 DBED Cc1nccc(C(=O)NC2[C@H]3CN(CC(=O)NCC#N)C[C@H]23)n1 1115248473 YDBANDXMFCXDLP-QWRGUYRKSA-N 314.349 -0.915 30 20 DBED C[C@H](CN(C)C(=O)Cn1cnnc1O)Nc1cncc(C#N)n1 1115687604 UDOQLBUQUAVCNE-SECBINFHSA-N 316.325 -0.396 30 20 DBED C=C(C)CN(C)c1nnnn1CCCN(C)S(C)(=O)=O 1120300734 NMXCWFAPBSVUIW-UHFFFAOYSA-N 302.404 -0.033 30 20 DBED C[C@@H](CN(C)C(=O)[C@H]1CNC(=O)N1)Nc1ccc(C#N)nc1 1120634458 MHDCOUQRSAFLRH-JOYOIKCWSA-N 302.338 -0.107 30 20 DBED CC(=O)N(C)CC(=O)NC[C@H](CO)Nc1nc(C)ccc1C#N 1121086620 ZHHJAPFUVJHGOO-CYBMUJFWSA-N 319.365 -0.371 30 20 DBED Cc1noc2ncnc(N[C@@H](CO)CNC(=O)[C@H](C)C#N)c12 1121213223 OEZRBGCKIZPNCZ-VXNVDRBHSA-N 304.310 -0.025 30 20 DBED N#Cc1nc(=N[C@H](CO)CNC(=O)C[C@@H]2CCOC2)cc[nH]1 1121399587 PODPIXURCNSDEE-QWRGUYRKSA-N 305.338 -0.914 30 20 DBED CC(C)C#CC(=O)NC[C@@H](CO)Nc1ncnc2[nH]cnc12 1121521333 XMZNZOCNQNZCEN-JTQLQIEISA-N 302.338 -0.099 30 20 DBED N#Cc1cnc(N[C@@H](CO)CNC(=O)C23CCN(CC2)C3)cn1 1121807421 UXOQHJSXGHAZBT-GFCCVEGCSA-N 316.365 -0.667 30 20 DBED Cc1ncn(C)c1C(=O)NC[C@H](CO)Nc1ccc(C#N)nn1 1122146351 BMZYZCAOQCJIFZ-LLVKDONJSA-N 315.337 -0.407 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]cc1C#N)C(=O)[C@H]1COCCO1 1124047309 TXGBTFCVIQEMJC-GXTWGEPZSA-N 320.349 -0.978 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)[C@H]1C[C@@H]1C(=O)OC 1124682522 WHUVMWQCIOWCON-STQMWFEESA-N 323.393 -0.298 30 20 DBED C#CCNC(=O)CC(=O)NCCNC[C@H](O)Cc1ccccc1 1125982197 RXTHMKKJKDUFLY-OAHLLOKOSA-N 317.389 -0.565 30 20 DBED C=CCCCN1CCn2ncc(CNC(=O)CNC(N)=O)c2C1 1128187437 RVTJYQGTOHITOP-UHFFFAOYSA-N 320.397 -0.051 30 20 DBED C=C(C)CN(CC)C(=O)CNCCNC(=O)C[C@H]1CCNC1=O 1129297170 KNIRGRNWUOLRBN-CYBMUJFWSA-N 324.425 -0.357 30 20 DBED CCC(=O)N1C[C@@H](NCC(=O)NCC#N)[C@H](c2cncn2C)C1 1130882626 JTMMHGFVLOGLNW-VXGBXAGGSA-N 318.381 -0.646 30 20 DBED COCC#CCN1C[C@@H](NC(=O)CS(C)(=O)=O)CC[C@H]1C 1131870233 GDIDJAFAURGDPT-OLZOCXBDSA-N 316.423 -0.350 30 20 DBED C=CCNC(=O)NC(=O)CN[C@H](C)C[C@H](C)NC(=O)COC 1133460849 GELQNEZZEXWJOJ-MNOVXSKESA-N 314.386 -0.483 30 20 DBED C=CCNC(=O)CNCCNC(=O)C1(CF)CCOCC1 1133859791 MHMIKTBEWJKNAR-UHFFFAOYSA-N 301.362 -0.239 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)NCCNCCOCCOC 1134816317 CFEAFRXYUOBPGE-CQSZACIVSA-N 315.414 -0.174 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NCCNC[C@H](O)COC 1134816663 GRBDVFWIVORTPD-STQMWFEESA-N 301.387 -0.830 30 20 DBED CCCCCCN(C)CC(=O)NCCNCC(=O)NCC#N 1135437424 SLMNWHZPJMJEEZ-UHFFFAOYSA-N 311.430 -0.156 30 20 DBED C=C(C)CN1CCC2(C1)CN(C(=O)CS(=O)(=O)N(C)C)C2 1148690427 GAHGHYJHFNYHSD-UHFFFAOYSA-N 315.439 -0.012 30 20 DBED C#CCNC(=O)CN1CCCO[C@@H](CNC(=O)[C@@H](F)CC)C1 1150093251 ZREVLPABIMFDMK-STQMWFEESA-N 313.373 -0.309 30 20 DBED C=CCCCN1CCCO[C@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 1150195368 YXOGHZZEODFVAT-OLZOCXBDSA-N 310.398 -0.159 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)c1ccc(=O)n(C)c1 1161735903 DSGMFDZOANXMJQ-LBPRGKRZSA-N 320.393 -0.215 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)[C@H]1CCCCC(=O)N1 1166463214 UAFVURNYRRXRNS-QWHCGFSZSA-N 322.409 -0.721 30 20 DBED C=CCNC(=O)CNCC1(CCNC(=O)c2cnn(C)n2)CC1 1167453255 STDJIJVLJLRZHT-UHFFFAOYSA-N 320.397 -0.393 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)C(C)(C)CNC(C)=O 1168157562 ULJXDNKWJBDONL-LBPRGKRZSA-N 324.425 -0.618 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@@H](NC(C)=O)[C@@H](C)CC 1176713017 JCGHXXLOVURTAU-WFASDCNBSA-N 324.425 -0.618 30 20 DBED C[C@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)C[C@@H]1COC(=O)C1 1178467770 OFOFHLWCDXWFNJ-SRVKXCTJSA-N 322.365 -0.842 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)c2nccc(C)n2)C1 1182239908 HSGJCACCEHFDCQ-GFCCVEGCSA-N 303.366 -0.109 30 20 DBED C[C@@H]1CN(C(=O)CN(C)S(C)(=O)=O)CC[C@@H]1CNCC#N 1184523712 NMTVTQGEBMPEQT-VXGBXAGGSA-N 316.427 -0.524 30 20 DBED N#CCNC(=O)CN1C[C@@H]2CCN(C(=O)[C@@H]3CCCO3)[C@@H]2C1 1186741092 NQLLSAAGDLPEKB-XQQFMLRXSA-N 306.366 -0.662 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2nocc2C)C1 1186842708 KTCJCFKHZZTCFS-VXGBXAGGSA-N 304.350 -0.075 30 20 DBED N#CCNC(=O)CN[C@@H]1CCN(C(=O)CCc2cscn2)C1 1188310201 RAYAOWTWWLLPBO-LLVKDONJSA-N 321.406 -0.094 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2cc(OC)no2)C1 1189736786 YUJZIJUIROLYJQ-NSHDSACASA-N 320.349 -0.421 30 20 DBED CN(CC(=O)NCC#N)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 1190645700 UZECFKCZEARRRS-CYBMUJFWSA-N 321.425 -0.357 30 20 DBED N#CCSCC(=O)N[C@@H]1CN(Cc2ncccn2)C[C@H]1O 1191161389 BLVHGMVUJVJLLS-GHMZBOCLSA-N 307.379 -0.605 30 20 DBED C=CCOCC(=O)N[C@@H]1CN([C@@H](C)c2nncn2C)C[C@H]1O 1191772186 XEGSQVVNNRLYQS-QJPTWQEYSA-N 309.370 -0.760 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2cn(C)nc2C)C[C@H]1O 1192891914 RXWPPOAJCHLJON-BPLDGKMQSA-N 320.393 -0.572 30 20 DBED C#CCNC(=O)[C@H](C)N1CCCN(C(=O)CC2(O)CCC2)CC1 1195747368 ONEQPLMBDWPFEE-AWEZNQCLSA-N 321.421 -0.036 30 20 DBED C#CCO[C@H](C)C(=O)N1CCCN(CC(=O)N2CCC2)CC1 1195792804 ZXAWFYPRYUUCLK-CQSZACIVSA-N 307.394 -0.209 30 20 DBED C=CCNC(=O)[C@@H](C)NC1CCN(C(=O)CNC(C)=O)CC1 1199152973 DHRGITLKAMGMBJ-LLVKDONJSA-N 310.398 -0.606 30 20 DBED CC#CCNC[C@H]1CN(C(=O)[C@H]2CN(C)CCO2)CCCO1 1200182803 UGLOOYUPJLIHHJ-LSDHHAIUSA-N 309.410 -0.453 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC[C@H](NCC(=O)NCC#N)C1 1208018415 OSNIMLDICRIIQO-OLZOCXBDSA-N 306.366 -0.755 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCCN(C(=O)c2cnon2)C1 1210236946 QVRKUMNPIBOQAG-QWRGUYRKSA-N 305.338 -0.598 30 20 DBED CCC[C@@H](NC(N)=O)C(=O)N[C@@H]1CN(CC#CCOC)C[C@H]1C 1210636076 LDXAEYSSZYOGMU-MGPQQGTHSA-N 324.425 -0.090 30 20 DBED COCC#CCN1C[C@@H](NC(=O)Cn2ccccc2=O)[C@H](C)C1 1210910776 ZNGHDMGTNOCWJF-HUUCEWRRSA-N 317.389 -0.065 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)CSC)[C@H](OC)C1 1211828109 TWDZIGRRSVXLEL-IJLUTSLNSA-N 313.423 -0.697 30 20 DBED C=CCOCCN1C[C@@H](NC(=O)Cc2cnn(C)c2)[C@H](OC)C1 1211992772 WRAQTOHBHDDYSI-HUUCEWRRSA-N 322.409 -0.019 30 20 DBED C=CCCC(=O)N[C@@H]1CN(CCN2C(=O)CNC2=O)C[C@H]1OC 1212022597 YPEIOKSKVBJJKY-VXGBXAGGSA-N 324.381 -0.680 30 20 DBED CC(=O)N(C)CCCC(=O)N1CCO[C@@H]2CN(CC#N)C[C@@H]21 1219010413 QLNFLPPNMFRBES-UONOGXRCSA-N 308.382 -0.320 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2coc(C)c2)C1 1219510748 DSWHKPUQSYYKQH-OLZOCXBDSA-N 305.334 -0.888 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCCOCC2)C1 1219531146 ONKVDWSZNUOZQC-KFWWJZLASA-N 310.394 -0.386 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@@H](C)NC(=O)CC(F)(F)F)C1 1219682507 IABYUQDFUFIQSX-BBBLOLIVSA-N 321.299 -0.762 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)COCc2nccn2C)C1 1219855010 HKINGVCCPLXZHK-OLZOCXBDSA-N 308.382 -0.326 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)CCCOC)CC1 1222482329 SZTCVESQGGEFHM-UHFFFAOYSA-N 309.410 -0.009 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)c2nc(C)c[nH]2)CC1 1224788219 PHBMHSPYLHCLBO-UHFFFAOYSA-N 317.393 -0.091 30 20 DBED CC#CCN1CCC(CNC(=O)CN2C(=O)CCC2=O)CC1 1225371901 GWHJYCKYGDOEPL-UHFFFAOYSA-N 305.378 -0.013 30 20 DBED CN(C[C@H]1CCN1CC(=O)NCC#N)C(=O)c1cccn1C 1230762361 NBNKVOBKTVNWLQ-GFCCVEGCSA-N 303.366 -0.189 30 20 DBED C#C[C@@H](NC(=O)C(=O)NCCCNC(=O)C(C)C)[C@@H]1CCCO1 1261154046 CANPPBRHYVMZLV-OLZOCXBDSA-N 323.393 -0.438 30 20 DBED C#CCNC(=O)CN1CC[C@H](CCNC(=O)[C@H](CC)N(C)C)C1 1267564411 AFACGZUQADDHQH-GJZGRUSLSA-N 322.453 -0.096 30 20 DBED C[C@H](CC#N)N(C)C(=O)C(=O)Nc1ccn(CC(=O)N(C)C)n1 1320589057 GIKTVBSTDNTXTO-SNVBAGLBSA-N 320.353 -0.330 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CCO[C@@]2(CCO[C@@H]2C)C1 1324237763 YMSAZQOPKXQVJT-JMSVASOKSA-N 312.366 -0.290 30 20 DBED Cn1c(S)nnc1CCCNC(=O)Cn1cnc(C#N)n1 1324372811 GVWPAGBVXIXECX-UHFFFAOYSA-N 306.355 -0.684 30 20 DBED C=CCn1cc(CNC(=O)NC[C@H](C)S(C)(=O)=O)nn1 1325894073 AIYBVTVKVUKAJB-VIFPVBQESA-N 301.372 -0.304 30 20 DBED N#CC1CCN(C(=O)C(=O)N[C@H]2CC(=O)N(C3CC3)C2)CC1 1326754573 ZDIAATAGAXGXKK-NSHDSACASA-N 304.350 -0.372 30 20 DBED C=CCOCCNC(=O)C(=O)N1C[C@H](C)O[C@]2(CCOC2)C1 1330190588 YBMYIXSWSLDGLK-SWLSCSKDSA-N 312.366 -0.288 30 20 DBED N#CC1(NC(=O)CN2CCC[C@H](n3cc(CO)nn3)C2)CCC1 1330333652 HMEKPZLUGPVGLG-ZDUSSCGKSA-N 318.381 -0.030 30 20 DBED C#CCN(C)CCCNC(=O)C(=O)Nc1cnn(CC#N)c1 1330399262 XDSCTUGNPGWSSF-UHFFFAOYSA-N 302.338 -0.584 30 20 DBED C#CC1CCN(c2nnnn2CCN2C(=O)CNC2=O)CC1 1335984357 FLXKLMOVMLTNGH-UHFFFAOYSA-N 303.326 -0.926 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CCOC[C@@H]1C[C@@H](C)O 1344782920 FGZMDASDIVRHLG-UTUOFQBUSA-N 300.355 -0.698 30 20 DBED CC1(C)CN(C(=O)C(=O)N2CCC[C@@H](C#N)C2)CCN1CCO 1345815118 DHHJBJMPWKKLFT-ZDUSSCGKSA-N 322.409 -0.336 30 20 DBED C=CCN(CC=C)C(=O)C(=O)NCCCS(=O)(=O)NC 1349508605 KYSCRBIPEUJSDQ-UHFFFAOYSA-N 303.384 -0.758 30 20 DBED N#CCOc1ccc(CNC(=O)C(=O)N2C[C@@H]3C[C@H]2CN3)cc1 1350028669 PPCWYFNUNYPOGA-STQMWFEESA-N 314.345 -0.222 30 20 DBED C[C@@]1(O)CCN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1 1351857124 UNQRBYANTCUIPO-SWLSCSKDSA-N 306.366 -0.832 30 20 DBED COCC(=O)N1CCN(c2nnc(CCCC#N)n2C)CC1 1355660691 FTGDOZODFGJYGO-UHFFFAOYSA-N 306.370 -0.044 30 20 DBED C[C@@]1(CNC(=O)CCn2cc(C#N)c(O)nc2=O)CCOC1 1362158253 GVEJJFFZSKAPEV-AWEZNQCLSA-N 306.322 -0.247 30 20 DBED N#Cc1ccc(NC(=O)N(CCO)[C@@H]2CCS(=O)(=O)C2)nc1 1364154310 MNVPIEILEQCOPC-LLVKDONJSA-N 324.362 -0.033 30 20 DBED CNC(=O)NCC(=O)N[C@@H](CNC(=O)[C@H](C)C#N)C(C)(C)C 1371120918 XOFVSHDMPTUORV-ZJUUUORDSA-N 311.386 -0.278 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(CCN(C)C(=O)[C@H](C)C#N)CC1 1374448139 UKSCCHFOGWPERB-OLZOCXBDSA-N 305.382 -0.092 30 20 DBED CCC(=O)NCC(=O)N1CC[C@@H](CN(C)C(=O)[C@@H](C)C#N)C1 1374460774 QLCBJCQWDXUFBJ-RYUDHWBXSA-N 308.382 -0.021 30 20 DBED Cc1nc(CC(=O)N[C@H](C)CNC(=O)c2cc(C#N)c[nH]2)n[nH]1 1386208291 AEWUEHFVGZWXSH-MRVPVSSYSA-N 315.337 -0.210 30 20 DBED CC(C)(CCC#N)CNC(=O)N1CCN(CC(N)=O)C(=O)C1 1414655588 WCSZYOZXEMOUTI-UHFFFAOYSA-N 309.370 -0.345 30 20 DBED C[C@H](C#N)C(=O)N(C)CCN1CCN([C@@H]2CCN(C)C2=O)CC1 1420902089 RKTMDIIRIDMTNB-ZIAGYGMSSA-N 321.425 -0.547 30 20 DBED Cc1nn2cccnc2c1S(=O)(=O)N1CCO[C@@H](C#N)C1 1423681363 RZVFZNVLCWWKGC-JTQLQIEISA-N 307.335 -0.049 30 20 DBED Cc1ncncc1C(=O)N(C)C[C@H](O)CNC(=O)[C@H](C)C#N 1425776504 TUNXUQNLASLYLM-MWLCHTKSSA-N 305.338 -0.506 30 20 DBED COCCN(CCNC(=O)c1cn(C)cn1)C(=O)[C@@H](C)C#N 1426049989 YJDQUVPQIOSLQO-NSHDSACASA-N 307.354 -0.215 30 20 DBED C[C@@H](C#N)C(=O)N(C)C[C@@H]1CCCN1C(=O)c1c[nH]c(=O)cn1 1426313740 OLNQEAYEOOCUGX-QWRGUYRKSA-N 317.349 -0.007 30 20 DBED CNC(=O)NCCC(=O)N1CCC[C@H](NC(=O)[C@H](C)C#N)C1 1429738154 SWECEYUAUYVDRM-MNOVXSKESA-N 309.370 -0.428 30 20 DBED COC[C@@H](OC)C(=O)N1CC(CNC(=O)c2cc(C#N)c[nH]2)C1 1430343877 CGNQRDYERYSCHX-CYBMUJFWSA-N 320.349 -0.264 30 20 DBED CC(C)(C#N)CS(=O)(=O)N1CCC[C@H](NS(C)(=O)=O)C1 1434594254 SEDCIJIFPJYMHI-JTQLQIEISA-N 323.440 -0.120 30 20 DBED CCn1ccc(CC(=O)N(C)C[C@@H](O)CNC(=O)[C@H](C)C#N)n1 1444664681 PCRIAYXYXISFED-YPMHNXCESA-N 321.381 -0.459 30 20 DBED C[C@H](C#N)C(=O)NCCN1CCN(C(=O)[C@@H]2CCCOC2)CC1 1446916776 BUKNITGWPCYKBK-ZIAGYGMSSA-N 322.409 -0.167 30 20 DBED CC(=O)NCC(=O)N1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)C[C@@H]1C 1451639472 KPVPCCSYFYWWQP-ZANVPECISA-N 317.349 -0.258 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CN(C(=O)CCCF)C[C@@H]2O)c1 1452739274 OEFTVPOIISMASG-NEPJUHHUSA-N 308.313 -0.062 30 20 DBED CNC(=O)[C@@H](NC(=O)CCn1cc(C#N)c(O)nc1=O)C(C)C 1467571779 VVFHJBNKRGVMQZ-NSHDSACASA-N 321.337 -0.903 30 20 DBED COC(=O)[C@@](C)(CO)NC(=O)COc1ccc(C#N)cc1OC 1468886445 RSJGPAYKRJZHQY-OAHLLOKOSA-N 322.317 -0.014 30 20 DBED C[C@@H](C#N)C(=O)NC1CC(N(C)C(=O)CN2CCCC2=O)C1 1488559964 UVLYMCCPAUBCEM-UNXYVOJBSA-N 306.366 -0.126 30 20 DBED CNC(=O)NCC(=O)N1CCC(N(C)C(=O)[C@@H](C)C#N)CC1 1510144045 XYEOIMQOWFIVST-JTQLQIEISA-N 309.370 -0.476 30 20 DBED C[C@H](CN(C)C(=O)Cn1ccc(O)nc1=O)NC(=O)[C@H](C)C#N 1510650278 XXLHPWDASWCTRX-NXEZZACHSA-N 321.337 -0.928 30 20 DBED COc1cc(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H](C)C#N)C2)nn1C 1525139696 ANEVWYGMWKTZLV-GUBZILKMSA-N 305.338 -0.035 30 20 DBED N#Cc1cn(CC(=O)NC2CCN(C(=O)O)CC2)c(=O)nc1O 1574248326 IBRRCDRUYBVJFZ-UHFFFAOYSA-N 321.293 -0.921 30 20 DBED C[C@@H](O)C[C@H]1COCCN1c1cnc(C#N)c(-c2nn[nH]n2)n1 1575479553 DTEIJOWXMDLKKB-BDAKNGLRSA-N 316.325 -0.496 30 20 DBED C#C[C@H](NC(=O)C(=O)NC[C@@H](CC(=O)O)C1CC1)[C@H]1CCCO1 1588370869 PHFUQBQTXIQNPT-FRRDWIJNSA-N 322.361 -0.100 30 20 DBED C=CCNS(=O)(=O)c1ccc(CC(=O)NCC(=O)O)s1 1588847555 DRDORGVHYZTTSR-UHFFFAOYSA-N 318.376 -0.044 30 20 DBED C[C@]1(C#N)CN(C(=O)C(=O)N2CC[C@@](C)(C(=O)O)C2)CCO1 1589181285 DONHYQIUXUXJQH-KGLIPLIRSA-N 309.322 -0.549 30 20 DBED C[C@@H](C(=O)O)N(C1CCC1)S(=O)(=O)N1CCO[C@H](C#N)C1 1589478968 MHYWDMIQHUBAHR-GXSJLCMTSA-N 317.367 -0.217 30 20 DBED C[C@@H]1CN(CCn2c(N)nc(C#N)c2-c2nn[nH]n2)CCO1 1590308651 NRGWIIVFLFNPQE-MRVPVSSYSA-N 303.330 -0.762 30 20 DBED CCCN(CC(=O)OC)c1cnc(-c2nn[nH]n2)c(C#N)n1 1590621269 FVVHOUBBODKOJS-UHFFFAOYSA-N 302.298 -0.082 30 20 DBED N#Cc1cn(CC(=O)N2CCCC[C@H]2CC(=O)O)c(=O)nc1O 1594632213 YHBUJXDUSZGVAJ-JTQLQIEISA-N 320.305 -0.324 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CCN(c2ccnc(C(=O)O)n2)C1 1602726512 QTUGAXCUEXBHQZ-WDEREUQCSA-N 318.333 -0.092 30 20 DBED CN(C(=O)[C@@H]1C[C@@H]1C(=O)O)C1CN(C(=O)c2cc(C#N)c[nH]2)C1 1605956077 FVGYXQFFPZEQCO-MNOVXSKESA-N 316.317 -0.110 30 20 DBED COC(=O)c1ccn(CCCC(=O)N(CC#N)CC(=O)O)n1 1606622101 OJOKRADCMYGBHT-UHFFFAOYSA-N 308.294 -0.113 30 20 DBED Cc1[nH]nc(NC(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)c1C#N 1645779681 KGYNBZRQXLFLKT-SECBINFHSA-N 311.367 -0.353 30 20 DBED COCC#CCN1CC[C@H](NC(=O)COCc2nncn2C)C1 1690107692 XLFCQQCFYJOJDC-ZDUSSCGKSA-N 321.381 -0.828 30 20 DBED C=CCOCC(=O)N1CCC[C@@H](CN(C)CC(=O)NCC#N)C1 1752501755 BCOBFIUWEZNIFR-AWEZNQCLSA-N 322.409 -0.001 30 20 DBED CN(CC#N)C[C@@H]1CCCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 1752517228 LWYZZYUKBOOPBE-RWMBFGLXSA-N 308.382 -0.287 30 20 DBED C#CCN1CC[C@@H]2[C@H](CCCN2C(=O)CS(=O)(=O)NC)C1 1752707525 OLCHHFVJMYWZAN-CHWSQXEVSA-N 313.423 -0.518 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)[C@@H](CCC)OC)[C@H]2C1 1752845008 CUTNYLBOZHGGCV-QMIVOQANSA-N 321.421 -0.014 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC(CNC(=O)[C@@H](C)n2cncn2)C1 1753400136 XYPRSCZLBBGYOI-VXGBXAGGSA-N 320.397 -0.422 30 20 DBED C#CCCNCCC1CCN(C(=O)CN2C(=O)CNC2=O)CC1 1753575082 KHEZBQIFNPEWBE-UHFFFAOYSA-N 320.393 -0.220 30 20 DBED C#CCNC(=O)CN(C)CCN(C)C(=O)[C@H]1CCCC(=O)N1C 1753868272 ZHRCCHDQSWVQMY-CYBMUJFWSA-N 322.409 -0.863 30 20 DBED CC#CCNCC[C@H](C)NC(=O)CN1CCCS1(=O)=O 1753985914 ZGFYJCMQYMCDKE-LBPRGKRZSA-N 301.412 -0.470 30 20 DBED C[C@H](CNCC(=O)NCC#N)NC(=O)[C@H]1CCn2ccnc2C1 1754232027 IVIPZFANMBDNDY-NEPJUHHUSA-N 318.381 -0.820 30 20 DBED N#CCNC(=O)CNC[C@@H]1CCCC[C@H]1NC(=O)c1nc[nH]n1 1754352978 KKGMPXKKWPVRRO-WDEREUQCSA-N 319.369 -0.677 30 20 DBED C#CCN(C(=O)COC)C1CCN(CC(=O)N2CCC2)CC1 1754631835 CRHZXECJHDVTQL-UHFFFAOYSA-N 307.394 -0.209 30 20 DBED C=CCNCC1(O)CCN(C(=O)c2ccc3nnnn3c2)CC1 1755150491 RFLPZQYZLPQFNC-UHFFFAOYSA-N 316.365 -0.133 30 20 DBED C=CCNC(=O)CN1CC([C@H](C)NC(=O)C[C@H]2CCC(=O)N2)C1 1755387677 OVFALJBCXCMTAD-WCQYABFASA-N 322.409 -0.606 30 20 DBED C[C@H](C#N)C(=O)NCCOCCN(C)[C@H]1CCC(=O)NC1=O 1755539975 WJXPNIHTAPJBOS-MNOVXSKESA-N 310.354 -0.984 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2cncnc2C)[C@@H]1C 1755665291 PDMOYGGQUJHYBB-TZMCWYRMSA-N 315.377 -0.273 30 20 DBED C#CCNC(=O)CNC[C@H](O)CN(C)C(=O)c1ccccc1 1755771587 OMNQVEUQAYPGHR-AWEZNQCLSA-N 303.362 -0.542 30 20 DBED C=CCNC[C@H](O)CN(C)C(=O)CNC(=O)c1ccncc1 1755781172 RSNGXVUOLUEHFX-ZDUSSCGKSA-N 306.366 -0.594 30 20 DBED C=CCNC(=O)CNC[C@@H](NC(=O)c1cnn(C)n1)C(C)(C)C 1755835321 UVWMZDBYKBDABK-GFCCVEGCSA-N 322.413 -0.149 30 20 DBED C#CCOCCC(=O)N[C@H](C)[C@@H](C)NC(=O)Cn1nccn1 1755969768 KYKXRJKOTGDUMM-VXGBXAGGSA-N 307.354 -0.673 30 20 DBED C[C@H](NC(=O)CSCC#N)C1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 1756132954 WGXPQYZCNMGVEU-GDPRMGEGSA-N 324.406 -0.672 30 20 DBED C=CCOCC(=O)N1C[C@@H](NC(=O)c2cnn[nH]2)C(C)(C)C1 1756184459 UALONCLWPLSGMG-LLVKDONJSA-N 307.354 -0.026 30 20 DBED CC(C)C#CC(=O)N[C@H](CO)CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1 1756549604 BPMLSFDRDNCMIZ-AGIUHOORSA-N 323.393 -0.859 30 20 DBED C#CCOCCC(=O)NC[C@H](O)CN(C)C(=O)C(C)(C)F 1756650982 JIQVFKTWQNNUBQ-NSHDSACASA-N 302.346 -0.290 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cncn1C)CCO2 1783049486 APHXOBCQOPKPSE-HNNXBMFYSA-N 302.334 -0.503 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(O)nc1 1798641939 FIJJQIHBOIKJIE-JJLQDPRZSA-N 315.329 -0.376 30 20 DBED C=CC1CCN(C(=O)C(=O)Nc2cnn(CC(=O)NC)c2)CC1 152772480 LLDPQUYRXSAALO-UHFFFAOYSA-N 319.365 -0.008 30 20 DBED C#CCCCCNC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 156583255 OTJFZKBAVGRGQR-UHFFFAOYSA-N 317.349 -0.647 30 20 DBED N#CCCN(CC1CC1)C(=O)Cn1cc(S(N)(=O)=O)cn1 267975085 FVHJTVXHGMLKDA-UHFFFAOYSA-N 311.367 -0.317 30 20 DBED C[C@H](CNS(=O)(=O)c1cccnc1C#N)N1CCN(C)CC1 277102532 XAKFCSYUOZUOJX-GFCCVEGCSA-N 323.422 -0.133 30 20 DBED N#Cc1ncccc1S(=O)(=O)N[C@@H]1CC(=O)N(C2CC2)C1 277296368 ZYGNMXGXOLTHOP-SECBINFHSA-N 306.347 -0.005 30 20 DBED C=CCCOCCNC(=O)C(=O)NCc1cnc(N(C)C)n1C 286966978 OKXZZINKWSLNNX-UHFFFAOYSA-N 323.397 -0.189 30 20 DBED N#Cc1cccc(S(=O)(=O)N2CC(N3CCNC3=O)C2)c1 288833690 CPGATGGEDMCCIM-UHFFFAOYSA-N 306.347 -0.044 30 20 DBED N=C(O)[C@@H]1CC[C@H](C/N=C(/O)N2CCN3CCOC[C@H]3C2)O1 329794455 VZCGIFLQRCOSQU-UTUOFQBUSA-N 312.370 0.000 30 20 DBED CN1CCN(C)[C@H](C/N=C(/O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 330161658 TZWSCNCDNWMUFA-DGCLKSJQSA-N 320.397 -0.035 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N(C)CCN1CCOCC1 330396471 RXKGFPWYSNNRSN-GFCCVEGCSA-N 304.416 -0.413 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N(C[C@H]2CCOC2)C2CC2)CCO1 336901717 CAJBXSYTEHQSOR-DGCLKSJQSA-N 315.395 -0.044 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CC[C@@H](S(N)(=O)=O)C1 336935070 FCPGIJIJMHNKRX-VHSXEESVSA-N 324.428 -0.924 30 20 DBED CN1CC[C@@H]2CCN(S(=O)(=O)N3CCO[C@H](C#N)C3)[C@@H]2C1 336945254 NCPHEKVPBIIOCZ-JHJVBQTASA-N 314.411 -0.518 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCOC[C@H]1C(=O)OC 337064059 JBJPBJLGDDAXAY-MNOVXSKESA-N 319.383 -0.413 30 20 DBED Cc1nc(SCC(=O)N[C@H](CO)C(N)=O)c(C#N)c(C)c1C 341745872 JZSYLJGETKORTQ-LLVKDONJSA-N 322.390 -0.067 30 20 DBED N#CCNC(=O)CNC(=O)NCC1(N2CCCC2)CCOCC1 345012942 AYZMOSKDNTUMDL-UHFFFAOYSA-N 323.397 -0.430 30 20 DBED CCCN1C(=O)N(CCn2cnc(C#N)n2)C(=O)[C@H]1COC 348651922 KEVQCRGBOUIKCD-SNVBAGLBSA-N 306.326 -0.161 30 20 DBED C[C@@H](CNC(=O)CNC(=O)c1ccc(C#N)cc1)S(N)(=O)=O 350622133 XZVXTZIEGYJIGM-VIFPVBQESA-N 324.362 -0.919 30 20 DBED N#Cc1cc(Br)cn(Cc2nc(=N)[nH]c(=N)[nH]2)c1=O 351778458 SONGVIOPFQIQPY-UHFFFAOYSA-N 322.126 -0.459 30 20 DBED C=C[C@@H](CO)NC(=O)C(=O)Nc1ccc(Cn2cncn2)cc1 354566187 NPULJCSESAIPBK-LBPRGKRZSA-N 315.333 -0.072 30 20 DBED N#Cc1ccc(S(=O)(=O)Nc2ccn(CC(N)=O)n2)cn1 357532601 BRZIOFURHNEWKR-UHFFFAOYSA-N 306.307 -0.564 30 20 DBED C=CC[C@@H](CO)CNC(=O)C(=O)Nc1cc(C)c(=O)n(C)c1 359501185 JAEZZWSBSAKNAQ-LLVKDONJSA-N 307.350 -0.067 30 20 DBED C=CCNC(=O)CNS(=O)(=O)c1ccc(CC(=O)O)cc1 393786464 OBTNVIHRGPOYHC-UHFFFAOYSA-N 312.347 -0.106 30 20 DBED N#CCCS(=O)(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 408190841 BAXXKULKMLNTPF-LLVKDONJSA-N 301.368 -0.447 30 20 DBED C#C[C@@H](CC)NC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 491803481 JOJNFKPCSRKEDG-KBPBESRZSA-N 307.394 -0.305 30 20 DBED CCOC(=O)N1CCN(S(=O)(=O)NC[C@@H](C)C#N)CC1 493137652 FHKGFQGFCXHUAS-JTQLQIEISA-N 304.372 -0.245 30 20 DBED COC(=O)CNC(=O)CNC(=O)[C@@H](C)Oc1ccc(C#N)cc1 552013549 ZHCPDHQMQLMGNK-SNVBAGLBSA-N 319.317 -0.269 30 20 DBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1O 568293534 SHKSCIOTURLIER-QCNOEVLYSA-N 303.380 -0.368 30 20 DBED N#C[C@H]1CN(S(=O)(=O)N2CCC(CCO)CC2)CCO1 580584388 FVODBEKWGAZRNC-LBPRGKRZSA-N 303.384 -0.450 30 20 DBED C=CCSCCNC(=O)C(=O)N1CCO[C@@H](C(=O)O)C1 591459202 QTQVGFCEAHSJFX-SECBINFHSA-N 302.352 -0.666 30 20 DBED CCN(CC)S(=O)(=O)CC(=O)NC1CCN(CC#N)CC1 610427136 UXCCFLWCIXMIID-UHFFFAOYSA-N 316.427 -0.238 30 20 DBED CNS(=O)(=O)CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 610585204 ITOFBOMFGRVVGC-LLVKDONJSA-N 302.400 -0.772 30 20 DBED N#Cc1ncn(CC(=O)N2CSC[C@@H]2C(=O)NCC2CC2)n1 610882936 AHFQNPGHDHAQLH-SNVBAGLBSA-N 320.378 -0.423 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CCCCN2C)CC1 733364560 LHEODIGOVHSBFU-OAHLLOKOSA-N 320.437 -0.246 30 20 DBED COc1ccc(C=NNCCS(C)(=O)=O)cc1-c1nn[nH]n1 737080894 IKDXQOHAOUOKEF-UHFFFAOYSA-N 324.366 -0.157 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)c1coc(S(=O)(=O)NC)c1 756400577 BACINHRELSFSJK-QMMMGPOBSA-N 314.319 -0.518 30 20 DBED Cc1oc(C(=O)OCC(=O)NCCC#N)cc1S(N)(=O)=O 756447320 LTWMPPXXTWWVBV-UHFFFAOYSA-N 315.307 -0.578 30 20 DBED C#C[C@@H](NCCNS(=O)(=O)c1cnn(C)c1)[C@H]1CCCO1 775800481 SGPGVCZSLGHHAC-CHWSQXEVSA-N 312.395 -0.531 30 20 DBED C#CCN1CCN(C(=O)CNC(=O)c2cccc(O)c2)CC1 778824503 IHGQLKSNECTFDN-UHFFFAOYSA-N 301.346 -0.101 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)c1cnc2[nH]c(O)nc2c1 808636879 IPDKYWBAZVBNDK-UHFFFAOYSA-N 319.277 -0.168 30 20 DBED C=CCN(CC(=O)OCC)C(=O)CN(C)S(=O)(=O)N(C)C 816956062 WMXDMCMSTRJJDX-UHFFFAOYSA-N 321.399 -0.698 30 20 DBED CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)N1CCC(C#N)CC1 821140903 CZSKWTULXDHOKO-MNOVXSKESA-N 301.368 -0.256 30 20 DBED C#CCNC(=O)C1CCN(CC(=O)Nc2cnccn2)CC1 851740515 RRGYGQMKJOBJLT-UHFFFAOYSA-N 301.350 -0.124 30 20 DBED Cn1cc(N2C[C@@H](C(=O)OCC(=O)NCCC#N)CC2=O)cn1 859899598 YCWDJGKNQHGNDC-JTQLQIEISA-N 319.321 -0.654 30 20 DBED CC(C)(O)[C@H]1CCCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)C1 872539852 WQCPVNOSSHMKCN-RYUDHWBXSA-N 317.411 -0.062 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2cnc(Cl)n2C)CC1 874342931 PHCCYTFZHCRFNQ-UHFFFAOYSA-N 323.784 -0.419 30 20 DBED C#CC1(O)CN(C(=O)NC2CCN(C(=O)CCOC)CC2)C1 893741520 RQTOKMNUQDOCCR-UHFFFAOYSA-N 309.366 -0.597 30 20 DBED C#CCNCC(=O)NCCNS(=O)(=O)c1ccc(C)cc1 912231641 YIQJENAOZWUHHI-UHFFFAOYSA-N 309.391 -0.388 30 20 DBED Cc1ccc(=O)n(CC(=O)N[C@H]2CCN(CC#N)C[C@@H]2C)n1 944241362 ITYSIVSMBNTKQS-AAEUAGOBSA-N 303.366 -0.098 30 20 DBED Cc1ncncc1C(=O)NC[C@@H]1CN(C(=O)[C@@H](C)C#N)CCO1 944498582 URIXBSPIJZHGIO-CMPLNLGQSA-N 317.349 -0.098 30 20 DBED CO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)c1ncccn1 946264170 PSSYGCXWSAQFPP-CHWSQXEVSA-N 314.345 -0.154 30 20 DBED N#Cc1cc(C(=O)N2CC[C@H]2CNC(=O)[C@H]2CCC(=O)N2)c[nH]1 949116933 VWWZDUJEMKZGCC-NWDGAFQWSA-N 315.333 -0.504 30 20 DBED Cn1cc(C(=O)NC[C@H]2CCN2C(=O)c2c[nH]c(C#N)c2)nn1 949718373 LGMDHKNRUBPXJQ-LLVKDONJSA-N 313.321 -0.341 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2CCN2C(=O)c2cnn[nH]2)cn1 951381253 DYJKRHLKNQALPV-GFCCVEGCSA-N 310.317 -0.175 30 20 DBED COc1c(C(=O)NC[C@@H]2CCN2C(=O)[C@H](C)C#N)cnn1C 951418547 YHIAYHSKEZBNEY-ZJUUUORDSA-N 305.338 -0.081 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@H](C)OC)C1 954631161 QSADLUFGKHHIPU-OCCSQVGLSA-N 307.394 -0.212 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(C)(NC(=O)[C@H]2CN(C)CCO2)CC1 956325565 YTDRLRGTOQBIQB-QWHCGFSZSA-N 322.409 -0.026 30 20 DBED C=C(C)CN1C[C@@H](O)[C@@H](CNC(=O)c2cc(C(N)=O)cn2C)C1 958220462 YWFALHOOXWDMQZ-GXTWGEPZSA-N 320.393 -0.277 30 20 DBED COc1coc(C(=O)NC[C@@H]2CN(CC#N)C[C@H]2O)cc1=O 958261816 BRARJRIBHZZACA-MWLCHTKSSA-N 307.306 -0.806 30 20 DBED CC#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cc(=O)c(OC)c[nH]2)C1 958261953 DLXDTCVEVQRKMI-SMDDNHRTSA-N 319.361 -0.571 30 20 DBED CN(C)c1cc(C(=O)NC[C@H]2CN(CC#N)C[C@H]2O)ccn1 958453023 JXEBDOFCKHXPEW-QWHCGFSZSA-N 303.366 -0.306 30 20 DBED C#CCCN1C[C@@H](O)[C@H](CNC(=O)c2noc3c2COCC3)C1 958725322 XKDZMAZTBVNBHK-DGCLKSJQSA-N 319.361 -0.207 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)C(C)(F)F)C1 961178582 LZMFYCHXCYKGAD-ZNSHCXBVSA-N 318.320 -0.079 30 20 DBED C#CCCN1C[C@H]2C(NC(=O)[C@@H]3CCN(C)S3(=O)=O)[C@@H]2C1 962013974 XUSYMYZCUXFZRF-UTUOFQBUSA-N 311.407 -0.910 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2[C@@H]3CN(Cc4nnn(C)n4)C[C@@H]32)cn1 962327152 RQNQBGQEIGCQSX-NHAGDIPZSA-N 323.360 -0.553 30 20 DBED Cc1nonc1C(=O)NC[C@H]1COCCN1C(=O)[C@@H](C)C#N 964235496 GJTVGNTZXOJLPR-WPRPVWTQSA-N 307.310 -0.505 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)c1cnnc(O)c1 964237875 QLEFHFARBASSPI-MWLCHTKSSA-N 319.321 -0.701 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)COC)C[C@@H]1O 964608316 UPJKPNDJGOFGCS-NDBYEHHHSA-N 312.366 -0.698 30 20 DBED C[C@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)[C@H]1C[C@H]1C(N)=O)C2 969819116 YNIDRKMHZXQCCL-IIRVCBMXSA-N 304.350 -0.531 30 20 DBED C#CCN1CC([C@H](C)NC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 970194486 FIUTZZSBKABNAZ-GWCFXTLKSA-N 301.350 -0.565 30 20 DBED C=C(C)CN(C)[C@H]1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)C1 972472887 QWRFPDHPFSFMNO-LBPRGKRZSA-N 320.393 -0.194 30 20 DBED CC1(C)CN(CC#N)C[C@H]1NC(=O)[C@@H]1CCc2nnc(O)n2C1 974744781 VUDJCBDWZAAPCR-GHMZBOCLSA-N 318.381 -0.104 30 20 DBED N#CCN1C[C@H]2[C@H](CNC(=O)[C@H]3CN4CC5CC4(CO3)C5)[C@H]2C1 978552940 GGQPWPJYWRLMJK-QVCCVMCISA-N 316.405 -0.333 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)c3cnn(C)n3)C[C@@H]2C1 986393255 OBVYETBWCIMDDD-UTUOFQBUSA-N 316.365 -0.105 30 20 DBED C=CCCn1cc(C(=O)N[C@H]2CCN(C(=O)C(N)=O)[C@@H]2C)nn1 988257038 LZFUAOLVMRCXAG-ZJUUUORDSA-N 320.353 -0.941 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](CN(C)C(=O)c2c[nH]c(=O)cn2)C1 988287372 PGTUVMSCCSANOG-WDEREUQCSA-N 317.349 -0.150 30 20 DBED C[C@@H]1C[C@@H](NCC#N)CN1C(=O)Cc1ccc(C(N)=O)nc1 989034759 GNJQEQHLASFING-ZYHUDNBSSA-N 301.350 -0.174 30 20 DBED COCC(=O)N1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H](O)C1 991388623 PYRQNKXJOPQXRD-JQWIXIFHSA-N 306.322 -0.776 30 20 DBED C=CCn1cc(C(=O)NC2CN(C(=O)[C@@]3(C)CCOC3)C2)nn1 991674600 ZWMWNQKVCVCNIU-HNNXBMFYSA-N 319.365 -0.169 30 20 DBED C=CCN1CCC[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)[C@@H]1C 993413194 KMENPLHTRJHZST-STQMWFEESA-N 320.393 -0.298 30 20 DBED CC(C)CN1C[C@@H](C(=O)NC2CN(C(=O)[C@@H](C)C#N)C2)CC1=O 993778352 NLHPNNFRZZPKRY-RYUDHWBXSA-N 320.393 -0.022 30 20 DBED C[C@@H]1[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)CCCN1CC#N 994210222 LQOXWYVOANEJES-ZJUUUORDSA-N 315.337 -0.476 30 20 DBED Cn1ncc(C(=O)NC[C@H]2[C@@H]3CN(C(=O)C#CC4CC4)C[C@H]23)n1 1009251791 BGXVDNSAFVFJRN-XYYAHUGASA-N 313.361 -0.337 30 20 DBED C[C@@H]1C[C@H](NC(=O)c2ccc(C#N)[nH]2)CN1C(=O)CC(N)=O 1012408165 OBMANQZBESQAHE-SCZZXKLOSA-N 303.322 -0.519 30 20 DBED C#Cc1ccccc1CC(=O)N1C[C@H](NC(=O)C(N)=O)C[C@H]1C 1013489674 BLDISNZEVKSNSA-BXUZGUMPSA-N 313.357 -0.199 30 20 DBED N#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(=O)n2[nH]cnc2n1 1018169448 LCXJLKUYJNNJNV-AOOOYVTPSA-N 313.321 -0.770 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CN(C(=O)C=C(C)C)C[C@H]2O)nn1 1023769341 NQODOYGLLMSPKA-DGCLKSJQSA-N 319.365 -0.268 30 20 DBED C#CCN1CC[C@H](CNC(=O)[C@@H]2CCc3nnc(O)n3C2)C1 1028640047 IGDIUAOVLWAVQW-VXGBXAGGSA-N 303.366 -0.383 30 20 DBED C#CCCN1CC[C@H](N(C)C(=O)[C@H]2CCN(C)S2(=O)=O)C1 1033501202 HZUHFQTYWAWACF-QWHCGFSZSA-N 313.423 -0.424 30 20 DBED CC#CCN1CCO[C@@H](CNC(=O)[C@H]2CN(C(C)=O)CCO2)C1 1035593773 ZTRBWWGNHWSXKC-LSDHHAIUSA-N 323.393 -0.926 30 20 DBED N#CCN1CC2(CCN(C(=O)CN3CCCNC3=O)CC2)C1 1035741743 SFCDMCRAXBKTOC-UHFFFAOYSA-N 305.382 -0.150 30 20 DBED C=CCCOCC(=O)NC[C@@]1(O)CCN(C(=O)C(F)F)C1 1040160849 IIXZGAGULODACF-ZDUSSCGKSA-N 306.309 -0.076 30 20 DBED Cc1ccc(C(=O)N2CC[C@](O)(CNC(=O)[C@H](C)C#N)C2)nn1 1040764647 XCUHHAVDZBRTPK-BMIGLBTASA-N 317.349 -0.362 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)c2ccc[nH]2)C1 1041442207 BHOZLACQLFFNCE-LLVKDONJSA-N 305.334 -0.644 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)[C@@H](C)CSC)C1 1042039614 FCLJHVAXAUJLQL-NSHDSACASA-N 316.423 -0.122 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)CC(C)(F)F)C1 1042052627 OSGOTDNWVJEZLU-UHFFFAOYSA-N 306.309 -0.076 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)C[C@@H]2CCOC2)C1 1042245575 WLCFTDKTFMSPKM-ZDUSSCGKSA-N 308.378 -0.094 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)CC2CCC2)C1 1042343243 WIYLSKOOBHDFDA-GFCCVEGCSA-N 308.378 -0.096 30 20 DBED C=CCN1CC[C@H](N2CC(N(C)C(=O)c3cn[nH]c3)C2)C1=O 1042503335 NGGOHUQQLBAVIW-ZDUSSCGKSA-N 303.366 -0.047 30 20 DBED COCC(C)(C)C(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042963037 DVBVXCQPVWHQFJ-UHFFFAOYSA-N 308.378 -0.238 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)[C@@]2(C)CCOC2)C1 1043040136 OIEUGWUAEKHFHP-DOMZBBRYSA-N 324.377 -0.859 30 20 DBED CC#CCCCC(=O)N1CC(O)(CNC(=O)CC(=O)N(C)C)C1 1043103031 COGWLYKAAMCMSA-UHFFFAOYSA-N 323.393 -0.652 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2c[nH]nc2C)C1 1044350571 JNAAINUQVRXVDV-NSHDSACASA-N 320.349 -0.940 30 20 DBED CC1=C(C(=O)N2CC(O)(CNC(=O)[C@@H](C)C#N)C2)CCCO1 1045540976 NWUKSSFEMSNBDZ-JTQLQIEISA-N 307.350 -0.080 30 20 DBED C#CCN1CCC2(CC1)CO[C@H](CNC(=O)[C@@H]1CCC(=O)N1)C2 1045685695 WZEGAMUXFNNAJB-KBPBESRZSA-N 319.405 -0.115 30 20 DBED N#Cc1ccc(C(=O)N2CC(O)(CNC(=O)[C@@H]3CC34CC4)C2)[nH]1 1047141691 WEGRBWSKSUNAKN-NSHDSACASA-N 314.345 -0.010 30 20 DBED C#CCN1C[C@H]2C[C@@H](NC(=O)c3cn(C)c(=O)n3C)C[C@H]1C2 1047208240 BMMSOFFJBYYVQU-YNEHKIRRSA-N 302.378 -0.060 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CN(C)CCO2)C1 1047334831 UKKUKGHUZDVNLQ-RWMBFGLXSA-N 317.817 -0.427 30 20 DBED C=CCCn1cc(C(=O)N2C[C@@H]3CN(CCO)C[C@@H]3C2)nn1 1049110473 ZFHCAQPTQABWQN-BETUJISGSA-N 305.382 -0.150 30 20 DBED C=CCN1C[C@H]2CN(C(=O)CN3C(=O)NC(C)(C)C3=O)C[C@H]2C1 1049199822 BRKLCPUHPUMKJM-TXEJJXNPSA-N 320.393 -0.107 30 20 DBED C=CCCN1CCOC[C@H]1CNC(=O)c1cn(C)c(=O)nc1O 1051244797 XBFUTPIOKGLFBZ-LLVKDONJSA-N 322.365 -0.507 30 20 DBED C=CCN1CCOC[C@H]1CNC(=O)[C@H]1CCc2nncn2C1 1051255485 QLNFKENRDRAYAS-QWHCGFSZSA-N 305.382 -0.157 30 20 DBED C#CCN1CCN([C@@H]2CCN(C(=O)[C@@H]3CCC(=O)NC3)C2)CC1 1052048266 PORYRRXTIBZICO-HUUCEWRRSA-N 318.421 -0.636 30 20 DBED N#Cc1nc(=NC2CC(CNC(=O)[C@@H]3[C@H]4COC[C@H]43)C2)cc[nH]1 1052049720 GUXQTCKWYDJWKU-VYHIPVHBSA-N 313.361 -0.031 30 20 DBED C=C(C)CN1CCN([C@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)C2)CC1 1052072982 DVYKOGBNJKKPMU-KBPBESRZSA-N 321.425 -0.538 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](C)[C@H](CNC(=O)COCC)C1 1052390755 HRJNSLOXOOSDNT-CHWSQXEVSA-N 323.393 -0.627 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)[C@@H]1CC[C@@H]1C(N)=O)CCO2 1053373540 PRWKWBJUHTTWDE-QWHCGFSZSA-N 305.378 -0.566 30 20 DBED C#CCN1CC2(C1)CN(C(=O)c1c(C)ncnc1O)CCO2 1053390962 CCRTYQDEQKWAKX-UHFFFAOYSA-N 302.334 -0.349 30 20 DBED N#CCN1CC2(CC[C@@H](CNC(=O)[C@H]3CCNC(=O)CC3)O2)C1 1053637807 DTAXYNLCDDLAIL-OLZOCXBDSA-N 320.393 -0.224 30 20 DBED C=CCCN1CC2(C[C@@H](NC(=O)CN3C(=O)CCC3=O)CO2)C1 1054004324 MBJYMJQRDIIGSE-GFCCVEGCSA-N 321.377 -0.329 30 20 DBED C=CCN1CC2(C[C@H](NC(=O)c3ccc(C(N)=O)cn3)CO2)C1 1054022581 KWAJVSZLNBQMBW-LBPRGKRZSA-N 316.361 -0.060 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NCCN1CCNC1=O 1054657507 OEULGJJWNYYMAG-TZMCWYRMSA-N 304.394 -0.139 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@](CO)(NC(=O)c2csnn2)C1 1056022032 BSCBAGSJGSQLPB-ZANVPECISA-N 323.378 -0.219 30 20 DBED Cn1cc(CC(=O)NC2[C@@H]3CN(c4cnc(C#N)cn4)C[C@@H]23)cn1 1056147241 MKPPQXJPYKIACK-CHWSQXEVSA-N 323.360 -0.125 30 20 DBED N#Cc1cnc(N2C[C@H]3[C@H](NC(=O)[C@H]4C[C@H]4C(N)=O)[C@H]3C2)cn1 1056407794 YUIQKLXJLHXQTB-OQEOFVATSA-N 312.333 -0.980 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)c1cc[n+]([O-])cc1 1056880459 GYJTXDNJBJBKLV-UHFFFAOYSA-N 319.361 -0.326 30 20 DBED C=C[C@](C)(O)CC(=O)NCCN(CCO)C(=O)[C@@H](C)OCC 1057057929 IDABRVSSZNECLW-DOMZBBRYSA-N 316.398 -0.324 30 20 DBED CS(=O)(=O)CC(=O)N1CCC(Nc2nccnc2C#N)CC1 1057292492 UKNBZHQJMDVELD-UHFFFAOYSA-N 323.378 -0.204 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)[C@H](C)n1cncn1 1057384158 TYFYYCNYVMNAEW-ZDUSSCGKSA-N 321.381 -0.564 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)c1cnn(C)c1N 1057404007 HKXZXQPUKIUGKA-UHFFFAOYSA-N 321.381 -0.644 30 20 DBED N#Cc1nc(=NC2CCN(C(=O)C3(C(N)=O)CC3)CC2)cc[nH]1 1057411096 RKEMPZAGIDAYLJ-UHFFFAOYSA-N 314.349 -0.561 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)Cc1ccnn1C 1057453666 QCVLWMNAGAPUGD-UHFFFAOYSA-N 324.381 -0.898 30 20 DBED C=C[C@@H](CC)CC(=O)NCCN(CCO)C(=O)c1cn(C)nn1 1057495552 NKBFCFZHTTXIGW-LBPRGKRZSA-N 323.397 -0.032 30 20 DBED C#CCO[C@H](C)C(=O)N(CCO)CCNC(=O)[C@H](C)OCC 1057582822 AAYKTRBYXGIOMM-QWHCGFSZSA-N 314.382 -0.613 30 20 DBED N#Cc1ccc(N2CCC(NC(=O)Cn3nccn3)CC2)nn1 1057906076 GXCNNCQLMBRMJU-UHFFFAOYSA-N 312.337 -0.275 30 20 DBED C=CCO[C@H](C)C(=O)N(CCO)CCNC(=O)c1cocn1 1057921751 OPHKEPNSPJDBNM-LLVKDONJSA-N 311.338 -0.184 30 20 DBED N#Cc1ccc(N2CCC(NC(=O)[C@H]3CNC(=O)N3)CC2)nn1 1057934126 OWLRIUNWVDRRRG-LLVKDONJSA-N 315.337 -0.885 30 20 DBED CC[C@H](C(=O)N(CCO)CCNC(=O)C#CC(C)C)N(C)C 1057974497 YOWSWHSZGKBGTF-CQSZACIVSA-N 311.426 -0.077 30 20 DBED C=CC(C)(C)C(=O)N(CCO)CCNC(=O)[C@H]1COCCO1 1058300177 ACHXHSWBBWLJSC-GFCCVEGCSA-N 314.382 -0.449 30 20 DBED Cc1c(C(=O)N[C@@H]2CCN(c3ccnc(C#N)n3)C2)nnn1C 1058334790 VLVMPUYIFCPPKD-SNVBAGLBSA-N 312.337 -0.206 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1CCN(C(=O)CN2CCOCC2)C1 1058862944 ZKBLATMZFPXCAW-AWEZNQCLSA-N 315.377 -0.280 30 20 DBED N#Cc1cncc(N[C@H]2C[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)n1 1059823820 YBTSPHLWGSBWCI-MKHNBGRSSA-N 300.322 -0.471 30 20 DBED C=CCCC(=O)NC[C@H]1COCCN1C(=O)c1cn(C)nn1 1061406205 IJTQUCQELPMPEB-NSHDSACASA-N 307.354 -0.262 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@H]1COCCN1C(=O)c1ncc[nH]1 1061541801 DJLKTGLSXJTVPK-XHDPSFHLSA-N 322.365 -0.306 30 20 DBED CC(=O)N[C@H](C)C(=O)N1CCOC[C@@H]1CNC(=O)C#CC(C)C 1061558011 IFWKKHLYMRWNJZ-OCCSQVGLSA-N 323.393 -0.486 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H]1COCCN1C(=O)c1cc[nH]n1 1061584842 NJTZTKOCYKUORI-RYUDHWBXSA-N 320.349 -0.595 30 20 DBED C=CCCCC(=O)N1CCOC[C@H]1CNC(=O)c1nnn(C)n1 1061778010 HUHMNOBWOTWHDY-LLVKDONJSA-N 322.369 -0.476 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)COCC1CC1 1061845187 DRLCDDHGIWOAHF-AAEUAGOBSA-N 309.366 -0.084 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)c1cccc(O)n1 1061845217 FKHJXXOXUUSJAE-GHMZBOCLSA-N 318.333 -0.096 30 20 DBED Cc1cc(C(=O)N2CCOC[C@@H]2CNC(=O)[C@H](C)C#N)cnn1 1061846170 BOIOBLHEIOCRSD-MFKMUULPSA-N 317.349 -0.098 30 20 DBED N#Cc1cncc(N2CCO[C@H](CNC(=O)[C@H]3CCCO3)C2)n1 1063605676 QORFWOZTPCCFTM-CHWSQXEVSA-N 317.349 -0.151 30 20 DBED N#Cc1cncc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)c2cc[n+]([O-])cc2)n1 1064216353 MMAPEPKMIJEWPX-ZLDLUXBVSA-N 322.328 -0.011 30 20 DBED N#Cc1ccc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)Cn2ncnn2)nc1 1064298210 VLXVVXGEXZTSCS-SUNKGSAMSA-N 310.321 -0.667 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)CN2CCCC2=O)CCO1 1064841746 ZCZYRGRFDKXUFY-CYBMUJFWSA-N 323.393 -0.081 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](N2CCN(C(C)=O)CC2)C1 1065704785 RRAXVWLXAACSTJ-OAHLLOKOSA-N 307.394 -0.209 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CCCN(C(=O)CNC(N)=O)CC1 1066166256 JRWPCIIHBGAFHY-NWDGAFQWSA-N 324.381 -0.810 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CCCN(C(=O)Cn2cncn2)CC1 1066481721 RHUXCSWASARLLU-VXGBXAGGSA-N 304.354 -0.065 30 20 DBED C=C[C@@H](CC)CC(=O)N1CC2(CN(C(=O)CC(N)=O)CCO2)C1 1068363515 NXGTYCBIIVHIAA-LBPRGKRZSA-N 323.393 -0.096 30 20 DBED Cc1cc(C#N)nc(N(C)C2CCN(C(=O)CC(N)=O)CC2)n1 1068658373 AVMPDEUKIBYUAB-UHFFFAOYSA-N 316.365 -0.041 30 20 DBED C=CCCC(=O)N[C@@H]1COC2(C1)CN(C(=O)Cn1cnnn1)C2 1068746992 FLTJEDBJPGKWPT-NSHDSACASA-N 320.353 -0.875 30 20 DBED C#CCOCCC(=O)N[C@H]1COC2(C1)CN(C(=O)C1CC1)C2 1068868484 OYOPMXVVNZWLPY-CYBMUJFWSA-N 306.362 -0.078 30 20 DBED N#CCN[C@@H]1CN(C(=O)c2cc[n+]([O-])cc2)C[C@@H]1n1ccnn1 1070132143 NDKKKFYEKAZMEB-OLZOCXBDSA-N 313.321 -0.910 30 20 DBED C=CCN[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1c1cn(C)cn1 1070524871 GRCIWWROEICJAH-CMPLNLGQSA-N 316.369 -0.673 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@@H](NC(=O)C[C@H](C)OC)C1 1070635940 BSNVUXUGVZNEEM-QWHCGFSZSA-N 323.393 -0.342 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@@H](NC(=O)[C@H](F)CC)C1 1070639342 FTIMKEZYEAUILV-VXGBXAGGSA-N 311.357 -0.019 30 20 DBED N#CCSCC(=O)N[C@@H]1CCCN(C(=O)Cn2nccn2)C1 1070792670 FGEXAECDLRTSID-LLVKDONJSA-N 322.394 -0.358 30 20 DBED C=CCOCC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CCNC2=O)C1 1071068017 QOVYHYOZVOGJPK-VXGBXAGGSA-N 309.366 -0.568 30 20 DBED CC#CCN1CC[C@@]2(C1)CN(C(=O)Cn1cncn1)C[C@H](C)O2 1071239305 ZWYFLZLZXPRIQO-GOEBONIOSA-N 317.393 -0.007 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CN(C(=O)COC(C)C)C[C@H]1C 1071750096 OSSZDTAHSAMMFT-OLZOCXBDSA-N 323.393 -0.486 30 20 DBED C#CCCN1CCC2(C1)CN(C(=O)[C@@H]1CC(=O)NC(=O)N1)C2 1073020039 HDDWATWZSVILRF-NSHDSACASA-N 304.350 -0.858 30 20 DBED CC(C)C#CC(=O)N[C@H]1CCN(C(=O)Cn2cnnn2)C[C@H]1C 1073933828 YKEIPHNVYQVCNB-OLZOCXBDSA-N 318.381 -0.314 30 20 DBED C=CCOCCCC(=O)N1CC[C@@H](NC(=O)C(N)=O)[C@@H](C)C1 1074176754 ZTESDMWAJNPVNL-NWDGAFQWSA-N 311.382 -0.192 30 20 DBED C=CCOCC(=O)N[C@@H](C)CCNC(=O)[C@H]1CN(C)CCO1 1076026963 AUHFTAZTDRAEDT-QWHCGFSZSA-N 313.398 -0.469 30 20 DBED C#CCOCCC(=O)N[C@@H](C)CCNC(=O)C1CN(C(C)=O)C1 1076285995 MUPBRIIFFGYZQT-LBPRGKRZSA-N 323.393 -0.484 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)[C@@]2(C)CNC(=O)C2)C1 1077434212 OFFXSQGIUIHLDA-GIPNMCIBSA-N 301.774 -0.574 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2csc(-c3nc[nH]n3)n2)C1 1077828103 WQHZFOVPCXGDHI-PSASIEDQSA-N 318.362 -0.664 30 20 DBED CCN(C(=O)[C@@H]1CCNC1=O)C1CN(C(=O)C#CC(C)C)C1 1080217383 DERLXKBLNZXPEL-CYBMUJFWSA-N 305.378 -0.159 30 20 DBED CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)[C@H]2CN(C)C(=O)N2)C1 1080419613 CNDIKRNGPSFQGO-MWLCHTKSSA-N 307.354 -0.771 30 20 DBED CC(C)C#CC(=O)N1C[C@H](CNC(=O)C2=COCCO2)[C@@H](O)C1 1081217047 BRUHXFAVTQFIHW-STQMWFEESA-N 322.361 -0.531 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(C(=O)C2=COCCO2)C[C@H]1O 1081468801 OOYVRTGMTQFYRT-CHWSQXEVSA-N 320.345 -0.777 30 20 DBED C#CCCCC(=O)N1C[C@H](CNC(=O)CCCC(N)=O)[C@@H](O)C1 1081576539 BVPZHDJQHUIEPC-STQMWFEESA-N 323.393 -0.619 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@H](CNC(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1081672280 WDMNZPZHEDIIKU-BIGJJFBESA-N 308.378 -0.220 30 20 DBED C=CCN1C[C@@H](NC(=O)c2ccc(C(N)=O)nc2)[C@H](OC)C1 1082395253 IZGRJDDPQCPMMQ-CHWSQXEVSA-N 304.350 -0.205 30 20 DBED C[C@@H]1CN(C(=O)[C@@H]2COCCN2CC(F)F)C[C@H]1NCC#N 1082664840 LOIIRJZYSZNKAE-UTUOFQBUSA-N 316.352 -0.088 30 20 DBED O=C1NCC[C@@H]1N1C[C@H]2[C@@H](C1)OCCN2C(=O)C#CC1CC1 1083076922 KLJFGIQZMXNVAR-MELADBBJSA-N 303.362 -0.800 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CN(C[C@@H]3CCOC3)C[C@@H]2O)c[nH]1 1083418742 YDDHFVIDISUEGH-GDLCADMTSA-N 304.350 -0.302 30 20 DBED C=CCn1cccc1C(=O)N[C@@H]1CN([C@@H](C)C(=O)NC)C[C@@H]1O 1083526493 VCXOBSUWCUWCLE-SCRDCRAPSA-N 320.393 -0.417 30 20 DBED CC#CCN1CC[C@@H]1CN(C)C(=O)c1cn(C)c(=O)n(C)c1=O 1085850208 QTEWCDGUFKASRE-GFCCVEGCSA-N 318.377 -0.746 30 20 DBED C#CCCN1CC[C@H](NC(=O)Cn2nc(C)n(C)c2=O)[C@H]1CC 1087815418 KYFHQXBEEIOARD-UONOGXRCSA-N 319.409 -0.117 30 20 DBED C#CCCN1CC[C@@H]2CN(C(=O)C[C@@H]3CC(=O)NC3=O)C[C@@H]2C1 1088223197 QWODSULYTYNJOQ-RDBSUJKOSA-N 317.389 -0.157 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2cc(=O)c(OC)co2)[C@H](O)C1 1090432152 IPPIPUSBHFFIIY-ZYHUDNBSSA-N 306.318 -0.553 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2c(O)nnc(C)c2C)[C@H](O)C1 1090480239 RVOJFAUACWWLLT-QWHCGFSZSA-N 318.377 -0.013 30 20 DBED C=CCN1CC[C@@H](NC(=O)c2ccnc3nc(C)nn23)[C@@H](O)C1 1090724961 NTMMDPJAZKZTIV-YPMHNXCESA-N 316.365 -0.216 30 20 DBED C[C@H](CC(N)=O)C(=O)N1C[C@@H](N=c2cc[nH]c(C#N)n2)[C@H](C)C1 1091017718 ZLQATFKBUTUPFM-GMTAPVOTSA-N 316.365 -0.460 30 20 DBED COC[C@H](C)CC(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1091136888 CUXDNWWGAZSNOL-RTXFEEFZSA-N 319.365 -0.313 30 20 DBED CC(=O)N[C@H](C)C(=O)NC[C@H]1C[C@@H](N=c2cc[nH]c(C#N)n2)C1 1091309553 QRULFYHZAPJUPZ-JLLWLGSASA-N 316.365 -0.399 30 20 DBED N#Cc1ccc(N2C[C@H]3C(NC(=O)CCn4cncn4)[C@@H]3C2)nn1 1093214877 ZXSVOQIOJKGNSN-VXGBXAGGSA-N 324.348 -0.419 30 20 DBED CS(=O)(=O)CC(=O)NC1[C@H]2CN(c3ccc(C#N)cn3)C[C@H]12 1093224809 BVBDSQPZDFXNLA-QWRGUYRKSA-N 320.374 -0.451 30 20 DBED C#CCN1CC(OC2CCN(C(=O)c3cnn(C)n3)CC2)C1 1093584246 DNLSTGYAPPUDNT-UHFFFAOYSA-N 303.366 -0.246 30 20 DBED C[C@H](C(=O)NCCNc1cnc(C#N)cn1)[C@@H]1CCC(=O)N1 1094133479 QASDXZJWIBNNRQ-ONGXEEELSA-N 302.338 -0.209 30 20 DBED C=CCCN1CC(n2cc(CNC(=O)c3nc[nH]n3)nn2)C1 1094330507 JMZYICLELHOLDS-UHFFFAOYSA-N 302.342 -0.241 30 20 DBED C[C@@]1(C(=O)NCCCN=c2cc[nH]c(C#N)n2)CCNC1=O 1094780915 KIMJFPMWIQGLOA-AWEZNQCLSA-N 302.338 -0.785 30 20 DBED CN(CCCNC(=O)CS(C)(=O)=O)c1ccc(C#N)nn1 1095506152 SZMQXTNWVKEXRM-UHFFFAOYSA-N 311.367 -0.665 30 20 DBED N#Cc1ccc(N[C@@H](CNC(=O)[C@@H]2COC(=O)N2)C2CC2)nn1 1096660736 ZAEQBWWQUMCRBZ-QWRGUYRKSA-N 316.321 -0.237 30 20 DBED COCCO[C@H](C)C(=O)N[C@H]1C[C@@H](N=c2cc[nH]c(C#N)n2)C1 1097218497 PYGJDGPQZUSFIA-UTUOFQBUSA-N 319.365 -0.119 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CCCN1C(N)=O)N=c1cc[nH]cc1C#N 1097920476 XKGOXDUZIXZMSV-GWCFXTLKSA-N 316.365 -0.165 30 20 DBED C[C@@H](CNC(=O)C[C@H]1CC(=O)NC1=O)N=c1cc[nH]cc1C#N 1097944507 ZRDQPRYSXWZQBN-UWVGGRQHSA-N 315.333 -0.655 30 20 DBED C[C@@H](CC(=O)NC[C@@H](C)Nc1cnc(C#N)cn1)NC(N)=O 1098076673 WAABCHDQEKQIAU-DTWKUNHWSA-N 305.342 -0.288 30 20 DBED C#CCN(CCO)C1CCN(C(=O)[C@@H]2CCN(C(C)=O)C2)CC1 1098548748 YDPXGHHXRXHMBR-OAHLLOKOSA-N 321.421 -0.227 30 20 DBED CN(c1cnc(C#N)cn1)[C@H]1CCCN(C(=O)CNC(N)=O)C1 1098680099 FKIJNQMLDOZRON-NSHDSACASA-N 317.353 -0.556 30 20 DBED C#CCNCc1cn([C@@H]2CCN(C(=O)[C@@H](C)CC(N)=O)C2)nn1 1098698690 XFFNHCRNNDFIFF-WCQYABFASA-N 318.381 -0.714 30 20 DBED C#CCCN1C[C@@H]2CCC[C@]2(NC(=O)Cn2cnnc2O)C1 1098801507 VNTSORPYPPOPMY-WFASDCNBSA-N 303.366 -0.022 30 20 DBED CNC(=O)NCC(=O)NCC[C@@H](C)N=c1cc[nH]c(C#N)n1 1099747838 JOYSOMHUEBJBMZ-SECBINFHSA-N 305.342 -0.994 30 20 DBED C=CCCCN1CC[C@@H](NC(=O)C2CN(C(C)=O)C2)[C@H](O)C1 1099794574 OSFGDZNNPCTNDG-HUUCEWRRSA-N 309.410 -0.018 30 20 DBED C=CCCN1CC[C@H](NC(=O)CCS(C)(=O)=O)[C@H](O)C1 1099894537 LWFXVBOHIZOLPA-NWDGAFQWSA-N 304.412 -0.451 30 20 DBED C=CCCN1CC[C@H](NC(=O)CCc2cnn(C)n2)[C@H](O)C1 1100008831 OVHBNWRSFWKVMD-UONOGXRCSA-N 307.398 -0.125 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CCn2cnccc2=O)[C@H](O)C1 1100051093 SBGNNVACVXBPCM-ZIAGYGMSSA-N 318.377 -0.792 30 20 DBED N#CCN1CC[C@@H](NC(=O)CNC(=O)c2cccs2)[C@H](O)C1 1100096251 BUNJSVORACUNQK-GHMZBOCLSA-N 322.390 -0.447 30 20 DBED C=CCCCN1CC[C@@H](NC(=O)CN2C(=O)CCC2=O)[C@@H](O)C1 1100101900 UWNWFQFCVLREPX-OLZOCXBDSA-N 323.393 -0.347 30 20 DBED CNC(=O)NCC(=O)NCCN(C)c1nc(C)cc(C#N)n1 1100376994 IPQVWQNJEIXKGB-UHFFFAOYSA-N 305.342 -0.862 30 20 DBED COCC#CCNC1CC(CNC(=O)[C@H](C)S(C)(=O)=O)C1 1100450819 LMTRLDNFQOXATF-HIFPTAJRSA-N 316.423 -0.446 30 20 DBED CC(=O)NCC(=O)NCCN(c1ccnc(C#N)n1)C1CC1 1101279247 QLRGZFAHHBWMEZ-UHFFFAOYSA-N 302.338 -0.431 30 20 DBED C[C@@H]1CN(Cc2nnn(C)n2)C[C@H]1CNC(=O)CSCC#N 1101736043 LEZJJSVBWLZVJO-GHMZBOCLSA-N 323.426 -0.349 30 20 DBED N#Cc1cnc(N2CCCC[C@H](NC(=O)CC(N)=O)C2)cn1 1102863562 ZRTQACHXOCREFR-JTQLQIEISA-N 302.338 -0.301 30 20 DBED C=CCNC(=O)CNCC[C@@H]1CN(C(=O)c2cnn[nH]2)C[C@H]1C 1104379712 IHEJVFXWBUYSFE-VXGBXAGGSA-N 320.397 -0.205 30 20 DBED C#CCNCc1cn(C2CN(C(=O)C[C@](C)(O)C3CC3)C2)nn1 1105215718 GECPDXGEHLDIKX-INIZCTEOSA-N 317.393 -0.065 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@H](O)CNc1nccnc1C#N 1105806220 SIGWMBWNVVWAGR-HZMBPMFUSA-N 305.338 -0.436 30 20 DBED CS[C@H](C)CC(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1 1105827502 TUBBWVIHJRLKFU-NXEZZACHSA-N 309.395 -0.199 30 20 DBED C#CCN1CC(n2cc(CNC(=O)C[C@H]3CCCO3)nn2)C1 1107135446 UKRWOKFSDBOMLR-CQSZACIVSA-N 303.366 -0.047 30 20 DBED CO[C@H](C)CN1CC(n2cc(CNC(=O)[C@H](C)C#N)nn2)C1 1107149494 HEHKPBKNCBOWPP-GHMZBOCLSA-N 306.370 -0.054 30 20 DBED Cc1cc(C#N)nc(NC/C=C\CNC(=O)[C@@H]2COC(=O)N2)n1 1107175217 IIHHQXANCSQWSX-QUCGXOGASA-N 316.321 -0.151 30 20 DBED COC(=O)c1nc(=NC[C@@H](C)NC(=O)CSCC#N)cc[nH]1 1107653628 IVURQSKNZOCHMM-SECBINFHSA-N 323.378 -0.142 30 20 DBED C[C@@H]1CN(C)C[C@H](C(=O)NC[C@]2(C)CN(CC#N)CCO2)O1 1108024838 QGGPABIPYDXGQR-UMVBOHGHSA-N 310.398 -0.564 30 20 DBED CC(=O)NCC(C)(C)C(=O)N[C@@H](C)CN=c1cc[nH]c(C#N)n1 1108447674 PUWHKPIWUSEMHO-JTQLQIEISA-N 318.381 -0.151 30 20 DBED C=CCCN1CC(N2C[C@@H](NC(=O)CC(=O)NC)CC2=O)C1 1108534257 KMANXQFXBFSSGM-NSHDSACASA-N 308.382 -0.900 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)C[C@@](C)(O)C=C)CC2=O)C1 1108538905 QFPWKVCBRNUAQH-LRDDRELGSA-N 307.394 -0.099 30 20 DBED N#Cc1cccnc1N1C[C@H]2C[C@H]1[C@H]2NC(=O)CCNC(N)=O 1109708946 SRAZJCSJXRDQPC-MDZLAQPJSA-N 314.349 -0.295 30 20 DBED CCO[C@H](C)C(=O)NC[C@@]1(O)CCN(c2ccnc(C#N)n2)C1 1111029064 BQKCVKBUKUGVHP-ABAIWWIYSA-N 319.365 -0.169 30 20 DBED CC(=O)NCC(=O)NC[C@H]1COCCN1c1ccncc1C#N 1111649898 XJFWLUXEOBHYLZ-ZDUSSCGKSA-N 317.349 -0.589 30 20 DBED COC[C@H](C)C(=O)NC[C@@H]1COCCN1c1ccc(C#N)nn1 1111665862 QKZNQICIOWLFTG-WCQYABFASA-N 319.365 -0.048 30 20 DBED C[C@H]1CN(c2cnc(C#N)cn2)CC[C@@H]1NC(=O)CC(N)=O 1112396443 VRNTXAPMZRCGKF-ONGXEEELSA-N 302.338 -0.445 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)[C@H]2CCCOC2)CC1 1112680994 GXOFZRHNNVGJGO-KBPBESRZSA-N 307.394 -0.305 30 20 DBED C#CCO[C@H](C)C(=O)N1CCN([C@@H]2CCCN(C)C2=O)CC1 1112846762 XJWFSNAGQYOUJS-ZIAGYGMSSA-N 307.394 -0.210 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)c3cc[nH]n3)[C@@H]2C1 1113893968 QFCNHRSNVRXHHP-HBNTYKKESA-N 303.366 -0.240 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)c3ocnc3C)[C@@H]2C1 1114101230 LLOKUMWZTZMCKN-GHMZBOCLSA-N 304.350 -0.055 30 20 DBED N#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@@H]3CCCOCC3)[C@H]2C1 1114189758 VYMGZEFGWSADFV-CXTNEJHOSA-N 320.393 -0.511 30 20 DBED C=C[C@](C)(O)CC(=O)NC1[C@H]2CN(Cc3nc(O)n[nH]3)C[C@H]12 1114194180 MERAGELFURGSHW-FZNYLWTLSA-N 307.354 -0.616 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H]1[C@@H]2CN(CCn3cncn3)C[C@@H]21 1114274019 YTGCCNWUXZFZDA-MQYQWHSLSA-N 303.366 -0.637 30 20 DBED COCC#CC(=O)NC[C@@](C)(NC(=O)C#CCOC)C(C)C 1118672783 XVOQNKZDFBXOCK-MRXNPFEDSA-N 308.378 -0.067 30 20 DBED O=C(NCC#Cc1ccccc1)C(=O)NCCCn1cncn1 1119058822 ZUVYSJVYLYQQJD-UHFFFAOYSA-N 311.345 -0.048 30 20 DBED CCc1nc(C#N)cc(N[C@H](CO)CNC(=O)[C@H]2CCOC2)n1 1121171398 HKOJPGWGDMYPQU-JQWIXIFHSA-N 319.365 -0.164 30 20 DBED CO[C@H](C)CC(=O)NC[C@H](CO)N=c1cc(C)[nH]cc1C#N 1121192853 ZXPLEYYNGYFSEX-DGCLKSJQSA-N 306.366 -0.002 30 20 DBED N#Cc1cnc(N[C@H](CO)CNC(=O)C2=CCOCC2)cn1 1121338750 BUZHIRMFFXECEX-LBPRGKRZSA-N 303.322 -0.416 30 20 DBED Cc1c(C(=O)NC[C@@H](CO)Nc2ccc(C#N)nc2)nnn1C 1121405143 LIPRILJUGWEEAT-LBPRGKRZSA-N 315.337 -0.407 30 20 DBED Cc1nonc1C(=O)NC[C@H](CO)Nc1nccnc1C#N 1121735670 YKEJBXREVZHNFY-MRVPVSSYSA-N 303.282 -0.758 30 20 DBED CC(=O)NCC(=O)N1CC[C@@H](N=c2cc[nH]c(C#N)n2)[C@H]1C 1122903443 MSAWMOBNCOULBN-MWLCHTKSSA-N 302.338 -0.692 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C[C@@H](O)CNc1nccc(OC)n1 1124518780 CXVNBGKKNWAXLP-RYUDHWBXSA-N 322.365 -0.245 30 20 DBED CN(C[C@H](O)CNc1ccc(C#N)nn1)C(=O)[C@@]1(F)CCOC1 1124665897 VIJQIQFGTXURFV-BXUZGUMPSA-N 323.328 -0.292 30 20 DBED C[C@H](C#N)C(=O)N(C)C[C@@H](O)CN(C)c1ccnc(C#N)n1 1124988578 LGNSQSMZKYLERX-MNOVXSKESA-N 302.338 -0.237 30 20 DBED Cc1cc(C#N)nc(NCCOCCN(C)C(=O)CC(N)=O)n1 1127247500 DYQCBEOSYMDAME-UHFFFAOYSA-N 320.353 -0.581 30 20 DBED CC(C)Oc1cnc(C(=O)NCCNCC(=O)NCC#N)cn1 1127288365 DPLLKCDEYVPAQH-UHFFFAOYSA-N 320.353 -0.777 30 20 DBED C=CCN1CCn2ncc(CNC(=O)Cn3cncn3)c2C1 1128575759 MVYZAXUQUKQHJR-UHFFFAOYSA-N 301.354 -0.207 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1cccn2nccc12 1130816907 QCGZFCUJIWCIBF-UHFFFAOYSA-N 301.350 -0.044 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)c1cc2n(n1)CCCO2 1131191101 RDVJHYXTMSLGCL-LLVKDONJSA-N 321.381 -0.324 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)CCc1cncnc1 1131350832 LNTXIZKRGWJCKY-LBPRGKRZSA-N 305.382 -0.194 30 20 DBED C[C@H]1CC[C@H](NC(=O)[C@@H]2[C@H]3COC[C@H]32)CN1CC(=O)NCC#N 1132227930 JJGMCDPDSSNJEX-XOBFJNJYSA-N 320.393 -0.512 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)CCc1cn[nH]c1 1135045629 HYVVRFDSBHNTDY-UHFFFAOYSA-N 320.397 -0.190 30 20 DBED C#CCNC(=O)CNCCNC(=O)CNC(=O)CC1CCCC1 1135286444 BQCJUQZTAVQTCY-UHFFFAOYSA-N 322.409 -0.862 30 20 DBED C[C@@H](C[C@H](C)NC(=O)Cn1[nH]cc2c(=O)ncnc1-2)NCC#N 1135695539 QLQZGJYILWBAOT-UWVGGRQHSA-N 317.353 -0.532 30 20 DBED CCS(=O)(=O)N(C)CC(=O)N[C@H](C)C[C@H](C)NCC#N 1135820437 AWFYPGRXYKPSJB-WDEREUQCSA-N 304.416 -0.336 30 20 DBED C=C(C)CN[C@H](C)C[C@@H](C)NC(=O)c1cn(CC(N)=O)nn1 1146582393 HAYQQIGBNJXQJR-GHMZBOCLSA-N 308.386 -0.174 30 20 DBED C=CCNC(=O)CNCCNC(=O)CS(=O)(=O)C(C)(C)C 1147761338 AIIKWBYLFUKTSN-UHFFFAOYSA-N 319.427 -0.792 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)[C@@H](CC)N(C)C)C2 1147772783 CYVGMEIMLPLTFR-CQSZACIVSA-N 320.437 -0.390 30 20 DBED CO[C@H](C(=O)N1CC2(CCN(CC(=O)NCC#N)C2)C1)C(C)C 1148209817 AZOZWAOSCMHZFA-AWEZNQCLSA-N 322.409 -0.169 30 20 DBED Cn1cc(C(=O)NCCC2(CNCC(=O)NCC#N)CC2)cn1 1163376624 JGMLSVWVIGHGDW-UHFFFAOYSA-N 318.381 -0.450 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)NCCCNCC(=O)NCC#N 1167685515 VNUNIWOQGOQWRQ-CYBMUJFWSA-N 323.397 -0.807 30 20 DBED C#CCN1CCC(C(=O)NCCCN[C@H](C)C(=O)N(C)C)CC1 1176926951 ZLTIJZJCXIAVDX-CQSZACIVSA-N 322.453 -0.096 30 20 DBED COCC#CCNCCCNC(=O)c1cc(C(N)=O)ccn1 1177632537 KEBAJVDSEIOWNS-UHFFFAOYSA-N 304.350 -0.460 30 20 DBED C#CCO[C@H](C)C(=O)NCCCCCCNCC(=O)NCC#N 1178458642 PQGQKBJMFLDYPD-CQSZACIVSA-N 322.409 -0.069 30 20 DBED COCC#CCN[C@H]1CCN(C(=O)c2nnc(O)nc2O)[C@H]1C 1179078938 AXDRBHMPAMEQOD-UWVGGRQHSA-N 321.337 -0.875 30 20 DBED C[C@H]1[C@@H](NCC#N)CCN1C(=O)CCNC(=O)[C@@H]1CCCO1 1180295193 FHSXIPXFDYRBCG-AVGNSLFASA-N 308.382 -0.226 30 20 DBED C#CCCN[C@@H]1CCN(C(=O)[C@@H](C)NS(=O)(=O)CC)C1 1182754268 CHGJIJRKTIVBDZ-VXGBXAGGSA-N 301.412 -0.472 30 20 DBED C#CCCN[C@@H]1CCN(C(=O)CN(C)CC(=O)NC(C)C)C1 1183957116 XMUVHKWSYDDDKN-CQSZACIVSA-N 308.426 -0.343 30 20 DBED C#CCNC(=O)CNC[C@@H]1CCN(C(=O)c2ncc[nH]2)C[C@@H]1C 1184310109 ACWFUFPNCYNHOW-STQMWFEESA-N 317.393 -0.153 30 20 DBED C#CCNC[C@H]1CCN(C(=O)Cn2c(O)nnc2O)C[C@@H]1C 1185572904 KVWFMDYEPUGPNG-WDEREUQCSA-N 307.354 -0.603 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H](CC)NC(C)=O)C1 1185807741 ZAPLGVULKKRLBT-OLZOCXBDSA-N 310.398 -0.606 30 20 DBED C=C(C)CCN[C@@H]1CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)C1 1186118571 ITGVKOXDBKLTTF-OLZOCXBDSA-N 310.398 -0.477 30 20 DBED COCc1cc(C(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)no1 1186145053 FRLOMFNQEPMPGG-SNVBAGLBSA-N 321.337 -0.735 30 20 DBED C#CCNC[C@@H]1CN(C(=O)[C@H]2COCCO2)CC12CCOCC2 1186264222 FFONSMGDVABXEI-HUUCEWRRSA-N 322.405 -0.120 30 20 DBED CCc1cc(C(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)n(C)n1 1186546302 POSZUACDDVGGIQ-GFCCVEGCSA-N 318.381 -0.574 30 20 DBED C=C(C)CN(CC)C(=O)CN1C[C@@H](O)[C@H](NC(=O)C(F)F)C1 1190579898 AHBHBPNSDMVEQE-GHMZBOCLSA-N 319.352 -0.163 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2sccc2C)C1 1190676177 LJIDUPFBXMHQBZ-VXGBXAGGSA-N 321.402 -0.419 30 20 DBED CCC[C@@H](C(=O)N1CC[C@H](N(C)CC#N)C1)S(N)(=O)=O 1191551328 JSRYTUJQAKBYDN-QWRGUYRKSA-N 302.400 -0.500 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(Cc2cnsn2)C[C@H]1O 1192530152 LBWOQPSRGCRNSW-WZRBSPASSA-N 312.395 -0.474 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(CC(=O)N[C@H](C)C(C)C)C[C@H]1O 1192751687 GKETUFMLEFBXOC-RBSFLKMASA-N 323.437 -0.032 30 20 DBED C=CCCCN1C[C@@H](O)[C@H](NC(=O)COc2cnn(C)c2)C1 1195653831 GWPSHTRVRQECPQ-ZIAGYGMSSA-N 308.382 -0.074 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCCN(CCS(C)(=O)=O)CC1 1195792733 YXDVCVGXBAXRGZ-ZDUSSCGKSA-N 316.423 -0.396 30 20 DBED C=CCC1(C(=O)N[C@@H]2CN([C@H]3CCNC3=O)C[C@H]2O)CCC1 1195896901 FLPINGIBSQKJQY-FRRDWIJNSA-N 307.394 -0.217 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)CCC(=O)NC2CCCC2)C1 1197156297 UQEVAGFAWHXBDI-CHWSQXEVSA-N 308.382 -0.490 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)COCc2ccncc2)C1 1197302439 FPXBQFLZAIWCAH-HUUCEWRRSA-N 303.362 -0.217 30 20 DBED CO[C@H](Cc1ccccc1)C(=O)N[C@@H]1CN(CC#N)C[C@H]1O 1198800054 VILYUYQSFGRLCN-RBSFLKMASA-N 303.362 -0.071 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2nnc(C)o2)C[C@H]1O 1199315345 XZUQPSOGVPSLRZ-YUSALJHKSA-N 310.354 -0.370 30 20 DBED CCn1ncc(C(=O)N2CCC(NCC(=O)NCC#N)CC2)n1 1200381256 JJSYLPNJUXIYCA-UHFFFAOYSA-N 319.369 -0.868 30 20 DBED C=CCOCC(=O)N[C@@H]1C[C@H](NCc2nnnn2C)C12CCC2 1202632945 HLLYXKAWXORFJV-NWDGAFQWSA-N 320.397 -0.070 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)[C@H]2CO[C@@H](C)C2)CC1 1205552633 JMGDPLBULMQRMK-DZGCQCFKSA-N 321.421 -0.011 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN([C@@H]2CCC(=O)NC2=O)C[C@H]1C 1206960043 PSQRDVGTUNVZIS-JHJVBQTASA-N 321.377 -0.732 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(CCn2cncn2)C[C@H]1C 1206964777 AFHODTNCSGLINU-MGPQQGTHSA-N 305.382 -0.247 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(CCN2CCNC2=O)C[C@H]1C 1206965226 UARKGEUARNHCPE-MGPQQGTHSA-N 322.409 -0.514 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)Cn2nccn2)[C@H](C)C1 1207152685 AIJUYECSDPZJTB-VXGBXAGGSA-N 306.370 -0.983 30 20 DBED CC#CCN1C[C@@H](NC(=O)CCCn2c(O)nnc2O)[C@H](C)C1 1207771060 DZWGXGOMKCSJHM-VXGBXAGGSA-N 321.381 -0.071 30 20 DBED COCC#CCN1C[C@@H](NC(=O)[C@@H]2CCNC(=O)CC2)[C@H](C)C1 1208124019 VLMGUCROTZRVKZ-QLFBSQMISA-N 321.421 -0.011 30 20 DBED C=C(C)CN[C@H]1CCCN(C(=O)[C@@H](CCC(N)=O)NC(C)=O)C1 1210154403 KYVITNRSVPUPCB-UONOGXRCSA-N 324.425 -0.087 30 20 DBED CC[C@H](C(=O)N[C@@H]1CN(CC#CCOC)C[C@H]1OC)N(C)C 1212462392 CGIURINTQJLIEZ-RBSFLKMASA-N 311.426 -0.208 30 20 DBED C=CCCN[C@@H]1CN(C(=O)CNS(=O)(=O)CC)C[C@H]1C 1214761268 BLDGDSAXMLQTGV-VXGBXAGGSA-N 303.428 -0.062 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CCOCCOC 1219064196 QZKUAJVAGGAMCX-LSDHHAIUSA-N 310.394 -0.026 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CN(Cc2nnc3n2CCCC3)C[C@@H]1O 1219378927 JIVQMBVCIXVAKD-UTUOFQBUSA-N 318.381 -0.565 30 20 DBED C[C@@H](c1nnnn1C)N1C[C@H](O)[C@H](NC(=O)C#CC(C)(C)C)C1 1219598348 UNBLMGGEYJJNDL-TUAOUCFPSA-N 320.397 -0.518 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)[C@H](C)NC(=O)COC)C1 1219682116 CBTOWCFGJIXLPB-AXFHLTTASA-N 319.789 -0.949 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)[C@@H](OC)c2cnn(C)c2)C1 1220082346 QUQRAOGLVYVUEH-RDBSUJKOSA-N 308.382 -0.155 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)C2(C)CCCC2)C1 1220094466 UNAVPIUXZQRKMH-MCIONIFRSA-N 321.421 -0.134 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)CNC(=O)c2ccccn2)C1 1221057126 ZHORWBOBPGYXCL-OLZOCXBDSA-N 304.350 -0.841 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)C(C)(C)NC(=O)C(F)(F)F)C1 1221058432 QIKQYXVGOHGUFM-BDAKNGLRSA-N 323.315 -0.209 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@@H](CCC(C)C)NC(C)=O)C1 1221199051 ORJNGMUBLOUHKP-KFWWJZLASA-N 309.410 -0.278 30 20 DBED C=CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3ccnnc3)[C@@H]2C1 1221829991 QGZWTPZDPBQSQL-ZIAGYGMSSA-N 315.377 -0.075 30 20 DBED C[C@H](C#N)C(=O)NC1CCN(CC(=O)NC[C@@H]2CCOC2)CC1 1226640516 ODUYIXIFYFCQGF-OLZOCXBDSA-N 322.409 -0.121 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)c1ccncc1 1230580695 XLCAMZDQBOFHQO-CQSZACIVSA-N 300.362 -0.023 30 20 DBED CCCNC(=O)NC(=O)CN1CC[C@H]1CN(C)C(=O)[C@H](C)C#N 1231246215 DXSQUYMTVAQCNP-NEPJUHHUSA-N 323.397 -0.085 30 20 DBED CCNC(=O)CN(CC)C(=O)CCN/C(O)=C1\N=CC=CC1=O 1251960622 WPGFPLYBBHQQHQ-CCEZHUSRSA-N 322.365 -0.113 30 20 DBED C=CCn1cc(C(=O)N2C[C@@H](CO)C[C@@H](OCCOC)C2)nn1 1261500863 ISMUSJYOIPPMQQ-QWHCGFSZSA-N 324.381 -0.050 30 20 DBED C=C(C)CN(C)C(=O)C(=O)N1CCC[C@H](n2cc(CO)nn2)C1 1261772491 ZJNFWEJKTXYCCI-ZDUSSCGKSA-N 321.381 -0.032 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCCC[C@H]1CNCc1nnnn1C 1317183959 UHTODTICFHHYCH-STQMWFEESA-N 320.397 -0.281 30 20 DBED CN(CCNS(C)(=O)=O)C(=O)NC1CCN(CC#N)CC1 1318484038 RRIFSIQWKCYIPJ-UHFFFAOYSA-N 317.415 -0.835 30 20 DBED C#CCN(C)C(=O)C(=O)Nc1ccc(OCCC(N)=O)cc1 1321274082 RPQGYJQXCWUHGM-UHFFFAOYSA-N 303.318 -0.029 30 20 DBED C=CC1CCN(C(=O)C(=O)NCCS(=O)(=O)CC)CC1 1322477190 DGGNJNJPNPXDHK-UHFFFAOYSA-N 302.396 -0.038 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CCC(N2CCNC2=O)CC1 1323588076 QPMBVYGZVHOLSM-LLVKDONJSA-N 324.381 -0.680 30 20 DBED CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N2CCO[C@@H](C#N)C2)C1 1325153952 RTLAESRCSGBDPC-OLZOCXBDSA-N 308.382 -0.322 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CC[C@@H]2NC(=O)OC[C@H]2C1 1329625243 DIAJAIQPXHZSKX-MXWKQRLJSA-N 311.338 -0.740 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@@H]1CCCN(C)C1=O)[C@@H]1CCCO1 1330398372 YHVIOMYPVYQIRK-TUAOUCFPSA-N 307.350 -0.980 30 20 DBED C=C(C)COCCn1nnnc1N1CCO[C@H](C(=O)OC)C1 1334276302 HGLKPAIDHLRFBH-NSHDSACASA-N 311.342 -0.356 30 20 DBED N#CC[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCS(=O)(=O)C2)C1 1334823633 ZKTIYSDHVFGSRF-QWRGUYRKSA-N 313.379 -0.558 30 20 DBED CCN1CCC[C@@H](NC(=O)C(=O)N2CCC[C@H](C#N)C2)C1=O 1336250159 OEZKYTSSBARCOP-VXGBXAGGSA-N 306.366 -0.124 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2cncnc2C)C1=O 1339870610 RTMBTYVTSSVILD-GFCCVEGCSA-N 317.349 -0.031 30 20 DBED C=CCN(C(=O)C(=O)N1C[C@H](C)O[C@H](CO)C1)[C@H](C)COC 1347004557 SLTJXPNDPNKDIU-AGIUHOORSA-N 314.382 -0.356 30 20 DBED CS(C)(=O)=NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1361768029 WMWCJSGGECUGRL-UHFFFAOYSA-N 315.376 -0.021 30 20 DBED CCC[C@H](CCO)NC(=O)CCn1cc(C#N)c(O)nc1=O 1363249075 IHRWXOIHWGYUCC-LLVKDONJSA-N 308.338 -0.122 30 20 DBED N#Cc1cn(CCC(=O)N2CCCCC[C@H]2CO)c(=O)nc1O 1363468128 YVEHJQMYZUWSGB-LBPRGKRZSA-N 320.349 -0.026 30 20 DBED N#CC[C@]1(O)CCN(S(=O)(=O)N=S2(=O)CCCC2)C1 1365717602 XXZYAIYYZLDIAD-JTQLQIEISA-N 307.397 -0.157 30 20 DBED CC(=O)NCC(=O)N1CC[C@@H](N(C)C(=O)c2cc(C#N)c[nH]2)C1 1372049726 CSAJIGXNSKASNZ-GFCCVEGCSA-N 317.349 -0.305 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CCN(C(=O)C(C)(C)S(C)(=O)=O)C1 1372053078 WNUBJLGMQUZBBF-NXEZZACHSA-N 315.395 -0.314 30 20 DBED CCc1nc(C#N)cc(N(C)CCNC(=O)Cn2ncnn2)n1 1374796932 RSGWMGOJCXDVGW-UHFFFAOYSA-N 315.341 -0.850 30 20 DBED CNC(=O)NC(=O)CN[C@H]1CC[C@H](NC(=O)[C@@H](C)C#N)CC1 1378437159 SAIVYSLAPIUEJM-DCAQKATOSA-N 309.370 -0.381 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)c2ccncc2)C1 1380107210 MUBSELDVFZRMKV-NHYWBVRUSA-N 302.334 -0.066 30 20 DBED CCC(=O)NCC(=O)N(C)C[C@H](C)NC(=O)c1cc(C#N)c[nH]1 1383680537 MQFONSMWDNPTNW-JTQLQIEISA-N 319.365 -0.011 30 20 DBED CCCN(CCNC(=O)[C@@H](C)C#N)CC(=O)N1CCOCC1 1391124717 XJJYWOLFPNGIFO-ZDUSSCGKSA-N 310.398 -0.167 30 20 DBED COCCN(CCNC(=O)[C@@H](C)n1cncn1)C(=O)[C@H](C)C#N 1396154890 BIRQXKHGZLDIHY-VXGBXAGGSA-N 322.369 -0.410 30 20 DBED C[C@H](C#N)C(=O)NC1CN([C@H](C)C(=O)NC(=O)NC2CC2)C1 1400326993 CDPNBWYNZIGBEJ-RKDXNWHRSA-N 307.354 -0.677 30 20 DBED CC(=O)N(C)CC(=O)NC[C@@H](C)CNC(=O)c1c[nH]c(C#N)c1 1409653651 JXIPBTUZSOFOGW-SNVBAGLBSA-N 319.365 -0.153 30 20 DBED CC[C@@H](C)N(CC(=O)OC)C(=O)Cn1cc(C#N)c(O)nc1=O 1412931641 LYZQCWZILXAQJI-SECBINFHSA-N 322.321 -0.379 30 20 DBED CCn1cc(CNC(=O)CCn2cc(C#N)c(O)nc2=O)nn1 1413245676 RGTZTPOUZMUNDD-UHFFFAOYSA-N 317.309 -0.862 30 20 DBED N#Cc1ccc(NC(=O)c2cn(C[C@H]3CNC(=O)O3)nn2)nc1 1415743905 BJTYBDDXSHBOPX-SECBINFHSA-N 313.277 -0.095 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 1416680127 CPWYUJPQWZIOOH-GARJFASQSA-N 310.354 -0.904 30 20 DBED CC[C@@H](CNC(=O)c1cc(C#N)c[nH]1)NCC(=O)NC(=O)NC 1421395017 QAWNFTILJMWTIX-JTQLQIEISA-N 320.353 -0.560 30 20 DBED CC[C@H](C)[C@@H](O)CNC(=O)CCn1cc(C#N)c(O)nc1=O 1433794363 NXLXPULLCDLBFT-ONGXEEELSA-N 308.338 -0.266 30 20 DBED CC(=O)NCC(=O)N(C)C[C@H](C)NC(=O)c1ccc(C#N)[nH]1 1450909927 UYMSDPPEOWUJPS-VIFPVBQESA-N 305.338 -0.401 30 20 DBED CCS(=O)(=O)NCC(=O)N(C)C[C@@H](C)NC(=O)[C@@H](C)C#N 1451090092 SAVASNQHTOALPD-VHSXEESVSA-N 318.399 -0.952 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)COCC1CCCC1 1458022686 ZGEXLVAPGLEQGE-AAEUAGOBSA-N 311.382 -0.054 30 20 DBED CCN(CCC#N)C(=O)CN(C)CCNC(=O)[C@@H]1CCCN1C 1480849042 LFSCLBLLGGGWTG-AWEZNQCLSA-N 323.441 -0.109 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)CCc2cnn[nH]2)C1 1481693313 QMCYYUUTZVYZGQ-LBPRGKRZSA-N 306.370 -0.770 30 20 DBED CO[C@@H](C)C(=O)N(CCO)C1CCN(C(=O)[C@H](C)C#N)CC1 1490155790 MHBUYFPPHGSEIF-NEPJUHHUSA-N 311.382 -0.007 30 20 DBED C=C(Cl)CN(C)C[C@H](C)NC(=O)CN1CCNC(=O)C1 1498357919 WBGCGJBPKAPFHH-NSHDSACASA-N 302.806 -0.393 30 20 DBED C#CCN1CCN(c2nnc(CO)n2C[C@H]2CCOC2)CC1 1516207212 UCUNMXDRCJACSY-CYBMUJFWSA-N 305.382 -0.438 30 20 DBED C=C(Cl)C[C@H](NC(=O)CNS(=O)(=O)N(C)C)C(=O)O 1573307775 NHBALCZMTWNRNR-ZETCQYMHSA-N 313.763 -0.906 30 20 DBED C=CCCn1cc(C(=O)NCCC(=O)NCCC(=O)O)nn1 1573360317 LTDKXWKAIYHZBM-UHFFFAOYSA-N 309.326 -0.435 30 20 DBED CC(C)OC[C@@H](CO)N(C)c1cnc(C#N)c(-c2nn[nH]n2)n1 1574318411 DRRNYGZUKIQTSK-SECBINFHSA-N 318.341 -0.250 30 20 DBED N#CCNC(=O)CNS(=O)(=O)c1ccc(-c2cnn[nH]2)cc1 1577710268 VQEXLRAPUCSILB-UHFFFAOYSA-N 320.334 -0.610 30 20 DBED C#C[C@@H](CO)NS(=O)(=O)c1cc(C(=O)O)c(F)cc1OC 1588370513 GAKZXGONIWKGCQ-ZETCQYMHSA-N 317.294 -0.195 30 20 DBED C=CCC1(O)CCN(C(=O)C(=O)N[C@H]2C[C@H](C(=O)O)C2)CC1 1588768782 GBCSKCNAJYAJIN-XYPYZODXSA-N 310.350 -0.105 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](CC(=O)O)C2CC2)C1=O 1588832410 MKYAXHQBNHDXTI-SECBINFHSA-N 323.305 -0.667 30 20 DBED C[C@@H](C(=O)OCCOCCC#N)n1cnc(-c2nn[nH]n2)n1 1589031184 UXMIZXQFKRGQCK-QMMMGPOBSA-N 306.286 -0.507 30 20 DBED C[C@@H](CNc1cnc(C#N)c(-c2nn[nH]n2)n1)S(C)(=O)=O 1589879306 LGYSZWJALIIYBL-LURJTMIESA-N 308.327 -0.627 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N1CCN(CCC(=O)O)CC1 1592222452 WWPASVMNHAZCRF-NSHDSACASA-N 318.399 -0.443 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)NCc2ccc(C(=O)O)o2)CCO1 1601063449 RPVCCDWNYIHLIM-SECBINFHSA-N 315.307 -0.463 30 20 DBED C=C[C@@H](C)ONC(=O)CCn1cc(-c2nn[nH]n2)c(O)nc1=O 1602798945 ULMCRQLMMYFKSP-SSDOTTSWSA-N 321.297 -0.859 30 20 DBED N#Cc1ccc(NCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)O)nc1 1608209076 VQTJPBQXTOXYCI-NSHDSACASA-N 314.305 -0.100 30 20 DBED CCOCc1nnc(N(C)C[C@H](C)C#N)n1Cc1nnn(C)n1 1616675925 AXWRMCNQRNOCGK-SNVBAGLBSA-N 319.373 -0.018 30 20 DBED CCN(CCCNC(=O)C#CC1CC1)Cc1nc(=O)n(C)[nH]1 1752180633 BLTKJCUFYDFSTH-UHFFFAOYSA-N 305.382 -0.150 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CC[C@H](C1)N2C(=O)CCCN(C)C 1752543325 WEKAIJXFXLEELM-GASCZTMLSA-N 320.437 -0.247 30 20 DBED COCC#CCN1CC[C@@H](CCNC(=O)c2cnnn2C)C1 1753326574 NBXRFRYCOGXOLU-CYBMUJFWSA-N 305.382 -0.093 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)NC1CN([C@@H](C)C(=O)N(C)C)C1 1753388198 MJUORBRAVOAXDS-SMDDNHRTSA-N 324.425 -0.266 30 20 DBED C#CCCN[C@@H]1CCN(C(=O)CCNC(=O)COC)C[C@@H]1C 1753755858 WXXNOTMZDKYNBF-UONOGXRCSA-N 309.410 -0.011 30 20 DBED CC(C)[C@H](CNC(=O)c1cncnc1O)NCC(=O)NCC#N 1753832137 HVTXOBMASLVKLC-NSHDSACASA-N 320.353 -0.834 30 20 DBED CN(CCN(C)[C@@H]1CCC(=O)NC1=O)C(=O)c1cc(C#N)c[nH]1 1753849734 LKTFNZFXMLZIBY-GFCCVEGCSA-N 317.349 -0.305 30 20 DBED CC(C)(C)NS(=O)(=O)CC(=O)NC/C=C\CNCC#N 1754208560 ODMCRAZECIBBJW-PLNGDYQASA-N 302.400 -0.510 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(CC(=O)N(C)C(C)C)C1 1754767988 WDPBWRTXLCMZMG-UHFFFAOYSA-N 309.410 -0.325 30 20 DBED C=CCCN1CC(O)(CNC(=O)[C@H]2CCc3nnn(C)c3C2)C1 1754772726 PTLKPSNUTPOIOD-LBPRGKRZSA-N 319.409 -0.341 30 20 DBED C#CCNC(=O)CN[C@H]1CN(C(=O)c2cc(OC)no2)C[C@H]1C 1755106925 FAEWYZUBOKQFCD-MNOVXSKESA-N 320.349 -0.517 30 20 DBED C#CCNC(=O)CN[C@H](C)CN(C)C(=O)[C@@H]1CCO[C@H]1C1CC1 1755597400 WNTXKPWJKJPAIJ-XPKDYRNWSA-N 321.421 -0.013 30 20 DBED C=CCN[C@@H](CO)CNC(=O)c1cnc2sccn2c1=O 1755633041 MJXFCXDSBHJBOQ-SECBINFHSA-N 308.363 -0.378 30 20 DBED C#CCNC(=O)CNC[C@@H](O)CN(C)C(=O)c1cccs1 1755771707 QVHWFWZSDJAQSJ-LLVKDONJSA-N 309.391 -0.480 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@@H](O)CN(C)C(=O)/C=C(/C)C1CC1 1755773989 YJZNKWNAZWPVFY-KPXZUXBZSA-N 321.421 -0.111 30 20 DBED C#CCNC(=O)CN1CC=C(CNC(=O)CC2(O)CCC2)CC1 1755884938 KDPNJOADAWVUEO-UHFFFAOYSA-N 319.405 -0.211 30 20 DBED CC(C)(C)C#CC(=O)NC1(CCO)CN(C(=O)c2cnn[nH]2)C1 1756082061 NSHGNNLKEHHCGX-UHFFFAOYSA-N 319.365 -0.453 30 20 DBED C#CCCCC(=O)NC[C@H]1[C@@H]2CN(C(=O)CNC(=O)NC)C[C@H]12 1756201070 ZJJMKARFZGQOMC-XYYAHUGASA-N 320.393 -0.461 30 20 DBED C=CCOCC(=O)NC[C@@H]1CC[C@H](NC(=O)C2(C(N)=O)CC2)C1 1756646584 IMVAJXMSCWYAAF-NEPJUHHUSA-N 323.393 -0.144 30 20 DBED CN(C[C@H](O)CNC(=O)C#CC1CC1)C(=O)C[C@H]1CCCO1 1756653512 GNKSECYTCQEGDU-ZIAGYGMSSA-N 308.378 -0.096 30 20 DBED C=CCOCC(=O)N(C)C[C@H](O)CNC(=O)c1ccncn1 1756654816 AGJRPXUBCBLUNF-LLVKDONJSA-N 308.338 -0.772 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@H]1C[C@@H](CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 1757332382 GDWPOAQJWXUXEB-YYHQMBLXSA-N 323.393 -0.290 30 20 DBED Cn1nc(C(=O)O)cc1C=Nn1cnc2c(cnn2C)c1=O 1776029421 PZUDMLZGLYDEKY-UHFFFAOYSA-N 301.266 -0.556 30 20 DBED COC(=O)Cn1cc(C(=O)/C=C\c2cc(C(=O)O)nn2C)nn1 1777109641 FWZGSNDCMMNONS-ARJAWSKDSA-N 319.277 -0.221 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(C)nn1C)CCO2 1783048387 ZOHYEIJNBSJKHG-INIZCTEOSA-N 316.361 -0.195 30 20 DBED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccncn3)C[C@@H]21 1790791849 XYOLKTDKBGBQDX-OBJOEFQTSA-N 314.345 -0.297 30 20 DBED CCN(C)[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC#N 1795083743 QOUNBIPUGBHXGA-XPCVCDNBSA-N 322.409 -0.170 30 20 DBED CCOCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC#N)C2 1795208405 RINOCBGWLWHVJP-JJLQDPRZSA-N 309.366 -0.084 30 20 DBED N#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cn[nH]c1 1796570847 OBDQMXGZGULBLO-DABQJJPHSA-N 317.349 -0.083 30 20 DBED N#CC1(C(=O)N2CC3(CCCN3C(=O)[C@@H]3CNC(=O)C3)C2)CC1 1845997575 WNPKTFRJNSIZSZ-NSHDSACASA-N 316.361 -0.370 30 20 DBED C#CCNC(=O)COC(=O)CN1C(=O)COc2ccccc21 19042089 BDFFXNZOLVVLDP-UHFFFAOYSA-N 302.286 -0.295 30 20 DBED C#CCN1CCC(C(=O)N(CCOC)CC(=O)N(C)C)CC1 122463893 DQYVEIRBTAHBFO-UHFFFAOYSA-N 309.410 -0.105 30 20 DBED C[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccc(F)cc1C#N 125281561 IVWBEUPFOWBXOG-QMMMGPOBSA-N 304.281 -0.017 30 20 DBED N#Cc1ccc(S(=O)(=O)N2CCS(=O)(=O)CC2)cn1 169108411 DMIONQNBAKMYPT-UHFFFAOYSA-N 301.349 -0.628 30 20 DBED CN(C)C(=NCCS(=O)(=O)NC[C@@H]1CCCCO1)N(C)C 262527041 LOFCRUUQERHBLS-LBPRGKRZSA-N 320.459 -0.046 30 20 DBED C/N=C(/NCC1(O)CCC1)N1CCN(CC(=O)NC2CC2)CC1 262796778 PXXFSMUEBXMYLT-UHFFFAOYSA-N 323.441 -0.627 30 20 DBED COC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)c1ccc(C#N)cc1 275339896 WVYRFYMUOSEECG-GFCCVEGCSA-N 322.342 -0.030 30 20 DBED CN(CC(C)(CO)CO)C(=O)C(=O)Nc1ccc(C#N)cc1 276192210 MVVMNAUIMULRPE-UHFFFAOYSA-N 305.334 -0.054 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)[C@@H]2CC(=O)N(CCOC)C2)C1=O 281470368 UDOGYBJSCYKMPY-CHWSQXEVSA-N 323.393 -0.273 30 20 DBED CC#CC(=O)N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 283262793 RBBAQBDRVCBQCG-UHFFFAOYSA-N 310.379 -0.415 30 20 DBED CC(C)N1C[C@@H](NC(=O)NCCn2cnc(C#N)n2)CC1=O 286893300 FAMKLPFELBEWRF-JTQLQIEISA-N 305.342 -0.542 30 20 DBED C=C[C@H](CO)NC(=O)c1cc(C)c2c(=O)n(C)c(=O)n(C)c2n1 290517370 GXUFCBLQFOEWPU-SECBINFHSA-N 318.333 -0.783 30 20 DBED COC(=O)[C@@H]1C[C@@H](O)CN1CC(=O)NC1(C#N)CCCCC1 317544040 SHJWWYFSUAJMSZ-NEPJUHHUSA-N 309.366 -0.063 30 20 DBED CC1(C)COCCN1CC/N=C(/O)NC[C@]1(O)CCOC1 328848063 QXUCIIIJNANBRM-CQSZACIVSA-N 301.387 -0.248 30 20 DBED CN(C)[C@]1(C/N=C(/O)N2C[C@@H](O)C[C@H]2CO)CCSC1 330150938 LEOLGGDXLXVJSI-GVXVVHGQSA-N 303.428 -0.235 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)NCCS(=O)(=O)NC1CC1 331797268 WIJZLBKWXMJLEV-VIFPVBQESA-N 324.428 -0.863 30 20 DBED CC(C)N1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CC1=O 336889165 IIIMCZCGUAQBPO-NSHDSACASA-N 316.383 -0.992 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1C[C@@H]2CC[C@@H](O)[C@H]2C1 336952230 VNOGLSXHEWTDJN-RWMBFGLXSA-N 317.411 -0.204 30 20 DBED Cc1ccc(C(=O)N(C)CCO)cc1S(=O)(=O)NCC#N 340037883 OMEYWPOXSCXULC-UHFFFAOYSA-N 311.363 -0.139 30 20 DBED CO[C@H]1CN(C(=O)C(=O)Nc2ccc(C#N)cn2)C[C@@H]1OC 340370579 SSKPCJUFDDENPT-QWRGUYRKSA-N 304.306 -0.236 30 20 DBED CCS(=O)(=O)C[C@@H](C)NC(=O)CNc1ccc(C#N)cn1 345457690 XQVJZODEDLCDMK-SNVBAGLBSA-N 310.379 0.305 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@@H](C)O[C@H](CC)C2)C1=O 347841109 WTHSJJDPDYPQSF-GHMZBOCLSA-N 323.349 -0.011 30 20 DBED C=CCNC(=O)CNC(=O)c1ccc2c(c1)C(=O)N(C)C2=O 347888187 CFWFBPZLSGLFGY-UHFFFAOYSA-N 301.302 -0.056 30 20 DBED C=CCn1c(N)nnc1SCC(=O)N1CCC[C@H](C(N)=O)C1 353253375 PXELFMQKIRLOCQ-VIFPVBQESA-N 324.410 -0.138 30 20 DBED C=CCCOCCNC(=O)C(=O)Nc1cccc(C(N)=O)n1 355985870 HJQRDQAPVNITTP-UHFFFAOYSA-N 306.322 -0.172 30 20 DBED Cn1c(NCc2nc(CO)cs2)c(C#N)c(=O)n(C)c1=O 356113087 DIKOEPLYUDGBGC-UHFFFAOYSA-N 307.335 -0.483 30 20 DBED C=CCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 356504881 FZWVKJSRSHEFMB-SECBINFHSA-N 311.363 -0.246 30 20 DBED C=C[C@@H](CO)NC(=O)[C@H](CC)N=c1nn[nH]n1-c1ccccc1 356827635 DFIAUMFLUPSNAT-AAEUAGOBSA-N 316.365 -0.062 30 20 DBED C=C[C@@H](C)NC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 362586187 GRECUKKNFXTQGE-SECBINFHSA-N 305.338 -0.486 30 20 DBED C#CCCCS(=O)(=O)N1CCC[C@H](S(=O)(=O)NC)C1 367864779 LQMWQMPZYVGFJP-NSHDSACASA-N 308.425 -0.257 30 20 DBED CCS(=O)(=O)N1CCC[C@H](C(=O)N2CCO[C@@H](C#N)C2)C1 408094173 GIAUZGDUNLUNCQ-RYUDHWBXSA-N 315.395 -0.201 30 20 DBED C[C@H]1CN(C(=O)C(=O)NCCOc2ccc(C#N)cc2)CCN1 419463283 LGAPBVULFSDSGW-LBPRGKRZSA-N 316.361 -0.126 30 20 DBED C#CCNC(=O)CCN1CC[S@@](=O)C[C@@H]1c1cnn(C)c1 491165711 MYBKMJHDDRUQAK-LRTDBIEQSA-N 308.407 -0.335 30 20 DBED COc1ccc(C(=O)NCC(=O)NCC#CCO)cc1[N+](=O)[O-] 568217445 RMYNDNBHWDYPIM-UHFFFAOYSA-N 321.289 -0.555 30 20 DBED CN(CCC#N)C[C@@H](O)CNCCS(=O)(=O)NC(C)(C)C 577172461 VSJHWNCNVZRRPL-LBPRGKRZSA-N 320.459 -0.500 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CC[C@](CO)(COC)C1 577530144 CUACAADAXRTGHO-LBPRGKRZSA-N 305.400 -0.202 30 20 DBED COc1ccc(COC[C@H](O)CNCC(=O)NCC#N)cc1 583990161 JKVKNZYEIHLELZ-CYBMUJFWSA-N 307.350 -0.198 30 20 DBED Cc1ccn(C[C@](C)(O)C(=O)N2CC[C@@](O)(CC#N)C2)c(=O)c1 592850722 YPCYZTBKKOFIGW-HOTGVXAUSA-N 319.361 -0.215 30 20 DBED N#Cc1ccc(NCC(=O)NCC[C@]2(O)CCCOC2)nc1 593881214 FGOQQGIDKGDWTC-OAHLLOKOSA-N 304.350 0.413 30 20 DBED CC(C)[C@@H]1CNCCN1C(=O)C(=O)NC1CCN(CC#N)CC1 599959428 GWCQPXWETXQRBC-AWEZNQCLSA-N 321.425 -0.453 30 20 DBED Cn1cc(S(=O)(=O)N2CC[C@](F)(C#N)C2)cc1C(N)=O 615544283 CUFRDPLRCAQWJF-NSHDSACASA-N 300.315 -0.250 30 20 DBED C=CCNC(=O)CN1CCC[C@@H]1CNC(=O)c1cnn(C)c1 639975897 HMQMEMBBCNPGJR-CYBMUJFWSA-N 305.382 -0.084 30 20 DBED C=CCN1CC[C@H](n2cc(CNS(=O)(=O)CC)nn2)C1=O 641110002 XQCNRPUHBANHEW-NSHDSACASA-N 313.383 -0.323 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N(C)CC(C)(C)N)C1=O 662939146 CLYYQKCEKJXQAQ-NSHDSACASA-N 310.398 -0.573 30 20 DBED C=C[C@H](O)C(=O)NC[C@H](Cc1ccccc1)NC(=O)[C@H](O)C=C 667260749 CXHUMILTFAISOA-SOUVJXGZSA-N 318.373 -0.076 30 20 DBED C#CCOCCN(C)C(=O)[C@@H]1CCCCN1S(C)(=O)=O 688067618 PNUDRSXCFBEJKS-LBPRGKRZSA-N 302.396 -0.091 30 20 DBED C#CC[C@H](CO)NC(=O)[C@H](CCSC)NS(=O)(=O)CC 717769707 KQHLDCVSFQRABI-MNOVXSKESA-N 322.452 -0.452 30 20 DBED N#Cc1ccc(S(=O)(=O)NC2CCN(CC(N)=O)CC2)cn1 725820878 QZBPUFHOFQYSAP-UHFFFAOYSA-N 323.378 -0.819 30 20 DBED C[C@H](O)[C@H](NC(=O)C(C)(C)C)C(=O)OCC(=O)NCCC#N 745703025 NOWMDQSHPQGIBW-ONGXEEELSA-N 313.354 -0.529 30 20 DBED CCS(=O)(=O)NCC(=O)OCC(=O)N[C@](C)(C#N)C(C)C 767395825 SYCMQJFCYGQDOI-GFCCVEGCSA-N 319.383 -0.477 30 20 DBED C#C[C@@H](NC(=O)c1ccc(S(N)(=O)=O)nc1)[C@@H]1CCCO1 775338263 FZQVDWMDHLSALA-MNOVXSKESA-N 309.347 -0.360 30 20 DBED C=CCNC(=O)CNC(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1 777515984 QXCUYDHJMNEKPK-GFCCVEGCSA-N 324.362 -0.865 30 20 DBED C#C[C@H](C)NC(=O)C(=O)Nc1ccc(S(=O)(=O)NC)cc1 784849599 IUNQZGHXISXRNX-VIFPVBQESA-N 309.347 -0.329 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)[C@](C)(O)Cn1c(C)cccc1=O 795774457 XNBVXDAWHWRGLG-BLLLJJGKSA-N 320.345 -0.411 30 20 DBED CC(C)[C@H](OC(=O)[C@H](C)n1cnc(C#N)n1)C(=O)NC(N)=O 798747043 BOEWSHBQBXEKKA-CBAPKCEASA-N 308.298 -0.527 30 20 DBED COCCCS(=O)(=O)N1CCN(C(=O)C=NOC)CC1 809728329 SPNWZKACOLWCIY-UHFFFAOYSA-N 307.372 -0.871 30 20 DBED Cc1ccc2c(n1)c(=O)c(C#N)cn2CC(=O)NCC(=O)O 821103730 NTONHWVOWORKJP-UHFFFAOYSA-N 300.274 -0.223 30 20 DBED N#CCN1CCC(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 822810857 NHMRLVVFAXNVJR-UHFFFAOYSA-N 300.326 -0.087 30 20 DBED C=CCNC(=O)CNC(=O)C(=O)Nc1cccc(F)c1C(=O)O 833376996 JIQZXZZUWJAEGP-UHFFFAOYSA-N 323.280 -0.119 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCC[C@H](C)[C@@H]1CN)[C@H]1CCCO1 842164492 VUABYODCFDTWLU-XDQVBPFNSA-N 307.394 -0.131 30 20 DBED C=C(C)CN(CC)C(=O)COC(=O)[C@@H]1CCS(=O)(=O)N1 845370342 WKUNGOQOWNOWDY-JTQLQIEISA-N 304.368 -0.354 30 20 DBED C#CCNC(=O)c1ccc(N2CC(N3CC[C@@H](O)C3)C2)nc1 845722292 LKOGXWCAAVMGJH-CQSZACIVSA-N 300.362 -0.300 30 20 DBED C[C@H](OC(=O)CN1CC(=O)N(C)C1=O)C(=O)N(C)CCC#N 860302502 QJLJZXJOALZOFD-VIFPVBQESA-N 310.310 -0.816 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)NC1COC(C)(C)OC1 875230654 JQWGYCVRUKITBY-LLVKDONJSA-N 312.366 -0.201 30 20 DBED C#CCN1CCC[C@@H](NC(=O)NC[C@H]2CN(C)CCN2C)C1 884141086 OTYIPQSCEMZAFY-CABCVRRESA-N 307.442 -0.371 30 20 DBED C#CC1(O)CN(C(=O)c2ccccc2OCC(=O)N(C)C)C1 890521104 VUBFQLKQPWYRKU-UHFFFAOYSA-N 302.330 -0.026 30 20 DBED COCC[C@@](C)(C#N)NC(=O)CN1CCCCS1(=O)=O 890899163 RAGRROPVEWAJKJ-LBPRGKRZSA-N 303.384 -0.153 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N2CCC[C@@H]2C2OCCO2)CCO1 907669913 HIDJPNMDFBUILR-GHMZBOCLSA-N 317.367 -0.707 30 20 DBED C#CC1(O)CN(S(=O)(=O)Cc2ccc(C(=O)NC)cc2)C1 908228282 JWDZYFGSGGPXGY-UHFFFAOYSA-N 308.359 -0.444 30 20 DBED CCCS(=O)(=O)NC1CCN(C(=O)NCC#CCO)CC1 923784380 CJFBBAYORHQALP-UHFFFAOYSA-N 317.411 -0.515 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)c1 939933812 CBUGBVFTTZOABT-MXWKQRLJSA-N 315.333 -0.662 30 20 DBED N#Cc1cc(C(=O)N[C@H]2CCCCN(C(=O)C(N)=O)C2)c[nH]1 943198458 JYRNVWZAMZWQJE-JTQLQIEISA-N 303.322 -0.517 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCO[C@H](CNC(=O)C2CC2)C1 944434808 ROSZITLTBZNNAO-CABCVRRESA-N 319.405 -0.162 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2[C@H]3C[C@H]2N(C(=O)c2cnn[nH]2)C3)c[nH]1 946955096 GQAHPBICWXBJSM-XXILOJSOSA-N 311.305 -0.353 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]1CNC(=O)c1c[nH]c(C(N)=O)c1 950095929 HZLJLYVHSHZNNT-PSASIEDQSA-N 303.322 -0.396 30 20 DBED C#CCCN1C[C@H](CNC(=O)c2cc(OC)ncn2)[C@@H](O)C1 958073777 NQUKVAJWHPPNKK-AAEUAGOBSA-N 304.350 -0.469 30 20 DBED C#CCN1C[C@H](CNC(=O)c2cccc3nc(O)[nH]c23)[C@@H](O)C1 958145010 GARJERKQBIYDMZ-GWCFXTLKSA-N 314.345 -0.076 30 20 DBED C#CCCN1C[C@@H](O)[C@@H](CNC(=O)c2nc(C)c(C)nc2O)C1 958179388 MAGIVVYCJRWCGC-QWHCGFSZSA-N 318.377 -0.155 30 20 DBED C#CCCN1C[C@@H](O)[C@H](CNC(=O)c2coc(C(N)=O)c2)C1 958276622 HJMKCWKTNSJAAS-VXGBXAGGSA-N 305.334 -0.576 30 20 DBED C=CCN1C[C@@H](O)[C@@H](CNC(=O)c2cnn(CCN(C)C)c2)C1 958468461 YFQMYKIMNHOGCB-DZGCQCFKSA-N 321.425 -0.347 30 20 DBED CC(C)(F)C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1O 961139580 GHHIHODKDIUORM-MNOVXSKESA-N 308.313 -0.064 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)c1cncnc1 964167739 UUOJLAURCKNRIS-ZYHUDNBSSA-N 303.322 -0.407 30 20 DBED C=CCCn1cc(C(=O)N[C@@H]2CN(C(=O)CCC)C[C@@H]2O)nn1 964278653 KWQHUTWPTOVSLX-YPMHNXCESA-N 321.381 -0.044 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H](N(C)C(=O)c2nnn(C)n2)CC1 967631965 YGTUEDVFMOTYJN-WDEREUQCSA-N 319.369 -0.177 30 20 DBED N#Cc1cc(C(=O)N2CC[C@@H](N[C@@H]3CCCNC3=O)C2)c[nH]1 968447736 NBENYFWNTGDWKU-DGCLKSJQSA-N 301.350 -0.031 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)C2(C)CCOCC2)C1 968906288 QDRAGEBYLIDRJM-UTUOFQBUSA-N 309.366 -0.349 30 20 DBED C[C@@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)[C@]1(C)CCNC1=O)C2 969812291 XKXPNSYCPZRVBI-CENBSLRLSA-N 318.377 -0.126 30 20 DBED Cc1cc(O)ncc1C(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1O 970428111 XDOPEIBLVHCIPD-WCQGTBRESA-N 318.333 -0.443 30 20 DBED CNC(=O)[C@H](C)N1CCO[C@]2(CCN(C(=O)C#CC3CC3)C2)C1 972381039 LUADRPOVIMDIQS-SUMWQHHRSA-N 319.405 -0.162 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)[C@@]3(C)CCC(=O)NC3)C2)C1 972511982 MZIRRNAHVPRBFH-IRXDYDNUSA-N 319.405 -0.161 30 20 DBED O=C1N[C@@H](C(=O)NC[C@@H]2CCCN(C(=O)C#CC3CC3)C2)CO1 975248395 CXFZZUIVTKAQOP-QWHCGFSZSA-N 319.361 -0.137 30 20 DBED CC#CCN1C[C@H]2[C@H](CNC(=O)[C@H]3COCCN3C(C)=O)[C@H]2C1 979086472 FHJBXWIDDWJJFG-LVQVYYBASA-N 319.405 -0.449 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2cnn[nH]2)C1 982968868 OBLMGNTXMHSATN-LOWVWBTDSA-N 319.365 -0.026 30 20 DBED C#Cc1cncc(C(=O)N2CC(NC(=O)c3cnn(C)c3N)C2)c1 990958462 GJSUXKQMLMIVMP-UHFFFAOYSA-N 324.344 -0.367 30 20 DBED Cc1cc(C(=O)N[C@H]2CCN(C(=O)C#CC3CC3)C[C@H]2O)n[nH]1 991325150 OPICAHJPQJBATM-GXTWGEPZSA-N 316.361 -0.177 30 20 DBED C=CCCn1cc(C(=O)N2CC(NC(=O)c3cnn[nH]3)C2)nn1 995185938 UQXCEPVSEBMFFS-UHFFFAOYSA-N 316.325 -0.773 30 20 DBED Cn1cnc(C(=O)NCC2CN(C(=O)C#CC3CC3)C2)cc1=O 1002843655 OFIUFMBYACXIOV-UHFFFAOYSA-N 314.345 -0.618 30 20 DBED CN(C[C@@H]1CCCN1C(=O)C(N)=O)C(=O)c1cc(C#N)c[nH]1 1002909562 FMPPLGHMKDYFIW-JTQLQIEISA-N 303.322 -0.565 30 20 DBED NC(=O)C(=O)N1CCC[C@H]([C@H]2CCN(C(=O)C#CC3CC3)C2)C1 1003175931 UBTWRALTKBKKTR-KBPBESRZSA-N 317.389 -0.028 30 20 DBED C#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)C(N)=O)cn1 1005659750 SVDKMNCWXNVIDG-UPJWGTAASA-N 312.329 -0.590 30 20 DBED C[C@@H](C#N)C(=O)N1CC([C@@H](C)NC(=O)c2nccnc2N)C1 1005836404 QNAGDBUSOLTXCL-DTWKUNHWSA-N 302.338 -0.205 30 20 DBED CN(C(=O)CN1CCC(=O)NC1=O)C1CCN(CC#N)CC1 1006254911 MHDYNRZMQZIRQR-UHFFFAOYSA-N 307.354 -0.625 30 20 DBED O=C1CC[C@H](C(=O)NC2[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]23)CN1 1013373124 BUQYQZUTVAOYHG-YNEHKIRRSA-N 315.373 -0.501 30 20 DBED C#CCN1CC[C@H](NC(=O)c2ccc(=O)n(CCOC)c2)C1 1015085806 BMERQAGEQBFLPI-AWEZNQCLSA-N 303.362 -0.068 30 20 DBED C#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnn2c(=O)cc[nH]c12 1018036137 GXCUPOIANBVUKD-TXEJJXNPSA-N 311.345 -0.055 30 20 DBED C[C@H](C#N)C(=O)N1CCCO[C@H](CNC(=O)c2cnn(C)n2)C1 1019623402 YYRIRMDJJJFUEI-GHMZBOCLSA-N 320.353 -0.678 30 20 DBED C=CCn1cc(C(=O)N[C@H]2C[C@H](NCc3cnnn3C)C2)nn1 1020700064 GYUGXFRADWIPSY-XYPYZODXSA-N 316.369 -0.357 30 20 DBED N#CCN1CC[C@H]2[C@@H](CCCN2C(=O)CN2CCOCC2=O)C1 1021605871 OAUYKRHIWQYPRQ-KBPBESRZSA-N 320.393 -0.318 30 20 DBED C#CCN1CC[C@H]2[C@H](CCCN2C(=O)Cn2c(O)nnc2O)C1 1021722756 QDPWPHAFCZKVQB-NEPJUHHUSA-N 319.365 -0.365 30 20 DBED N#CCN[C@H]1C[C@@H](NC(=O)Cn2nc3n(c2=O)CCCC3)C1 1022942182 IOXHUISIFGSQBD-PHIMTYICSA-N 304.354 -0.859 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2cnn(C)c2)C1 1023180409 MAVJINFMIJFUMH-CHWSQXEVSA-N 320.393 -0.137 30 20 DBED C=CCOc1cccnc1C(=O)NC1CN([C@@H]2CCNC2=O)C1 1031232015 VKANPEFYBMYFJL-GFCCVEGCSA-N 316.361 -0.051 30 20 DBED C=CCN1CC[C@H](N2CC(CNC(=O)c3cn(C)nn3)C2)C1=O 1031650885 FGFSSWBHKDTPLD-ZDUSSCGKSA-N 318.381 -0.736 30 20 DBED C#Cc1ccc(C(=O)NCC2CN([C@@H](CC)C(N)=O)C2)nc1 1032136792 GPJZIQYZRCIULZ-AWEZNQCLSA-N 300.362 -0.012 30 20 DBED C=CCCN1CC[C@@H](N(C)C(=O)CN2C(=O)CN(C)C2=O)C1 1033643278 XHHIAELIUPPWIU-GFCCVEGCSA-N 308.382 -0.011 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)[C@H]2CCCCN(C)C2=O)C1 1035577276 NNTWOURPSXISEY-UONOGXRCSA-N 307.394 -0.305 30 20 DBED C=CCCN1CCO[C@@H](CNC(=O)c2cn(C)c(=O)nc2O)C1 1035604281 KGNYJNTYKZBZOX-NSHDSACASA-N 322.365 -0.507 30 20 DBED Cn1nnc(CN2C[C@H]3C[C@H]2[C@@H]3NC(=O)c2ccc(C#N)[nH]2)n1 1037365354 MYUKCIVSOMOODS-YDEJPDAXSA-N 312.337 -0.587 30 20 DBED N#CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)Cn1nc2ccccn2c1=O 1037525865 LNOGEWFITLDSKE-SUNKGSAMSA-N 312.333 -0.792 30 20 DBED Cc1cc2[nH]c(=O)c(C(=O)NC[C@H]3CCN3CC#N)cn2n1 1038814277 YADWXOULJXALBJ-SNVBAGLBSA-N 300.322 -0.341 30 20 DBED Cn1cc(C(=O)N2CC[C@@](O)(CNC(=O)C#CC3CC3)C2)cn1 1039678584 ZLEBDTPFQQPYCF-MRXNPFEDSA-N 316.361 -0.473 30 20 DBED CNC(=O)CC(=O)N1CC[C@@](O)(CNC(=O)C#CC(C)(C)C)C1 1039688949 TUOSVJOMZBFLIC-MRXNPFEDSA-N 323.393 -0.748 30 20 DBED C#CCOCCC(=O)NC[C@@]1(O)CCN(C(=O)[C@H](C)OC)C1 1039719579 XELZZBGBQVALAC-WFASDCNBSA-N 312.366 -0.859 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)c2cnnc(O)c2)C1 1040130763 UESPDHKNJDRJFI-YMTOWFKASA-N 319.321 -0.965 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)Cc2cncn2C)C1 1040355419 VJVTYYGXQMIMFJ-XHDPSFHLSA-N 319.365 -0.798 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)C2=COCCC2)C1 1040759813 CYTMCYDGICGENX-NHYWBVRUSA-N 307.350 -0.080 30 20 DBED C[C@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)c2cnsn2)C1 1040762389 IFANUCIYCMDMCC-PRHODGIISA-N 309.351 -0.609 30 20 DBED Cc1cc(C(=O)N2CC[C@@](O)(CNC(=O)[C@H](C)C#N)C2)cnn1 1040762850 MDZPYLWZSRRPBL-MEBBXXQBSA-N 317.349 -0.362 30 20 DBED N#Cc1cncc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCCO3)C2)n1 1040977248 ZNIRFVROHKZHGP-JHJVBQTASA-N 317.349 -0.417 30 20 DBED Cn1cnc(C(=O)N[C@@H]2CN(c3ccncc3C#N)C[C@H]2O)n1 1041014501 NSJBKKHIXBFXIG-ZYHUDNBSSA-N 313.321 -0.939 30 20 DBED C=CCN1CC[C@H](N2CC(N(C)C(=O)[C@@]34COC[C@@H]3C4)C2)C1=O 1042755539 VEXDGYHFXXKZFN-JDFRZJQESA-N 319.405 -0.048 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(O)CN(C(=O)C2=CCOCC2)C1 1042806344 FJQZSEPZFDVNSE-HNNXBMFYSA-N 324.377 -0.650 30 20 DBED O=C(C#CC1CC1)NCC1(O)CN(C(=O)C[C@H]2CCCO2)C1 1042957989 CUKHRYQEABYIHM-CYBMUJFWSA-N 306.362 -0.342 30 20 DBED CCN1CCCC[C@@H]1C(=O)NCC1(O)CN(C(=O)[C@@H](C)C#N)C1 1043432583 JAELKSITDHBBAA-QWHCGFSZSA-N 322.409 -0.290 30 20 DBED C[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1Nc1ccc(C#N)nn1 1043473937 XZOXVBOFGRILIA-MWLCHTKSSA-N 314.349 -0.127 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)[C@H]3CCCOC3)C2)nn1 1043869160 KFAUBBATCGCDJA-UHTWSYAYSA-N 317.349 -0.559 30 20 DBED Cn1ccc(C(=O)N[C@@H]2CN(c3nccnc3C#N)C[C@@H]2O)n1 1043971446 IEJGLIZGLRNMND-NEPJUHHUSA-N 313.321 -0.939 30 20 DBED C=C(C)CCN1CC(N(C)C(=O)CN2C(=O)C(=O)N(C)C2=O)C1 1044003925 XTVCJYPWYHMMOD-UHFFFAOYSA-N 322.365 -0.484 30 20 DBED Cc1cncc(CC(=O)NCC2(O)CN(C(=O)[C@@H](C)C#N)C2)c1 1044063833 DYWDWQBOBWDIRZ-LBPRGKRZSA-N 316.361 -0.218 30 20 DBED CC(C)[C@H](C(=O)NCC1(O)CN(C(=O)[C@@H](C)C#N)C1)N(C)C 1044287636 NXUIKSWAJPBSBR-NWDGAFQWSA-N 310.398 -0.578 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)Cc2ncc[nH]2)C1 1044460522 UEEFKFLCYDDKTR-UHFFFAOYSA-N 306.366 -0.146 30 20 DBED COCCN1C[C@H](C(=O)NC2(C)CCN(CC#N)CC2)CC1=O 1045455798 MJJKGFCISVMBHZ-CYBMUJFWSA-N 322.409 -0.024 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)C[C@@H]2CCCCO2)C1 1045539957 BKBAUCVYYOSRCO-RYUDHWBXSA-N 309.366 -0.205 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1C[C@H](CNC(=O)[C@@H]2COC(=O)N2)C1 1046809580 XTFNCARVKAZAQC-GAFUQQFSSA-N 315.333 -0.210 30 20 DBED CCC(=O)N1CCCC[C@@H]1C(=O)N(C)[C@H]1CN(CC#N)C[C@@H]1O 1047393180 YUZOWVKMSNWIMD-RDBSUJKOSA-N 322.409 -0.195 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2cn(C)nc2COC)C1 1047432988 RDQRKPKFJYYUGO-GJZGRUSLSA-N 320.393 -0.293 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cccc3nnn(C)c23)C1 1047659970 YOUXIHIANLMIDA-KBPBESRZSA-N 313.361 -0.281 30 20 DBED C=C[C@](C)(O)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)OC)C1 1048413804 GHAFFEOAYKYXNK-YXMPFFBPSA-N 314.382 -0.622 30 20 DBED C=CCOCC(=O)N(C)[C@H]1CN(C(=O)[C@H](O)C(C)C)C[C@@H]1O 1048554933 LQIZRIXDSFCLAB-SGMGOOAPSA-N 314.382 -0.764 30 20 DBED C#CCN1C[C@H]2CN(C(=O)[C@H]3CCCN(C(N)=O)C3)C[C@H]2C1 1048924598 HKRWULNQUGIVOB-MELADBBJSA-N 304.394 -0.200 30 20 DBED C[C@@H]1[C@@H](NC(=O)[C@@H]2COCCO2)CCN1c1cncc(C#N)n1 1050065536 MHJBBDLYOKSGLZ-WXHSDQCUSA-N 317.349 -0.153 30 20 DBED N#CCN1CCOC[C@@H]1CNC(=O)c1nnc2ccccc2n1 1051028591 SGOWGSFZNWZHJE-NSHDSACASA-N 312.333 -0.021 30 20 DBED Cc1c[nH]c(CC(N)=O)c1C(=O)NC[C@H]1COCCN1CC#N 1051126375 FIXAYFJEKODZLJ-NSHDSACASA-N 319.365 -0.695 30 20 DBED CC#CCN1CCOC[C@@H]1CNC(=O)c1ccc(OC)nn1 1051194463 GDLNSTQRRKTSII-LBPRGKRZSA-N 304.350 -0.061 30 20 DBED N#Cc1cnc(N2CC[C@H](NC(=O)C(N)=O)[C@H](O)C2)c(Cl)c1 1051768530 YPRVWRFBGYAVJR-VHSXEESVSA-N 323.740 -0.852 30 20 DBED C#Cc1cncc(C(=O)N2CCOC3(CN(C[C@@H](C)O)C3)C2)c1 1053422697 PORKOGFZXGOLBD-CYBMUJFWSA-N 315.373 -0.030 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)Cc3ccn(C)n3)CO2)C1 1053799252 QDUNPYNRMCPARA-CQSZACIVSA-N 302.378 -0.055 30 20 DBED C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1NCc1nnnn1C 1054547146 KGTXIJRXGFXYRX-SKDRFNHKSA-N 314.353 -0.340 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@](CO)(NC(=O)c2csnn2)C1 1056022028 BSCBAGSJGSQLPB-NOZJJQNGSA-N 323.378 -0.219 30 20 DBED C#CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)c1cnn(C)c1 1056934931 ZIQFIDCVOSYEGK-LBPRGKRZSA-N 322.365 -0.991 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)Cc1ccnn1C 1057170959 IKVFUCVIQKMKNS-UHFFFAOYSA-N 308.382 -0.134 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)[C@H]1CCCC(=O)N1 1057172396 BLCBFUSOVAHFDV-GFCCVEGCSA-N 311.382 -0.442 30 20 DBED C=C(C)CCC(=O)N(CCO)CCNC(=O)CCn1ccnn1 1057804304 BJHZXOYPKGDNAH-UHFFFAOYSA-N 323.397 -0.038 30 20 DBED C=C[C@@H](C)[C@H](C)C(=O)N(CCO)CCNC(=O)c1nnn(C)n1 1058437351 BPZUKZBNYSDOPE-MNOVXSKESA-N 324.385 -0.781 30 20 DBED Cc1cc(C(=O)NCCN(CCO)C(=O)[C@H](C)C#N)nc(C)n1 1058653062 LNLINHLXTTXWHK-SNVBAGLBSA-N 319.365 -0.196 30 20 DBED CN1CC[C@H](C(=O)N2CC[C@H](N=c3cc[nH]cc3C#N)C2)C1=O 1059031635 GPJISKQVHICFEN-STQMWFEESA-N 313.361 -0.134 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H]1COCCN1C(=O)C=C(C)C 1061515417 LJQHXORZNMQUFB-CYBMUJFWSA-N 321.377 -0.564 30 20 DBED N#Cc1nccc(N2CC[C@H](CNC(=O)c3nccnc3N)C2)n1 1061551644 SBKHWUCSLKUCJD-SNVBAGLBSA-N 324.348 -0.023 30 20 DBED O=C(C#CC1CC1)NC[C@H]1COCCN1C(=O)c1nc[nH]n1 1061571920 JTFMBLNUSWYCQK-NSHDSACASA-N 303.322 -0.825 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(NC(=O)c2[nH]nnc2C)CCC1 1063046164 IPVMCHFOROCOAD-LLVKDONJSA-N 319.365 -0.080 30 20 DBED C=C[C@@](C)(O)CC(=O)NC1(CNC(=O)[C@@H]2CCNC2=O)CCC1 1063908432 XCAJXWPZHQANCL-IAQYHMDHSA-N 323.393 -0.395 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)[C@@H](CC)OC)CCO1 1064946300 LHMXTVFCNTVJCD-QWHCGFSZSA-N 314.382 -0.042 30 20 DBED C=CCCC(=O)N1CCO[C@H](CNC(=O)C[C@@H]2CCC(=O)N2)C1 1064956003 PCVBGLPZFJUULN-QWHCGFSZSA-N 323.393 -0.035 30 20 DBED COCCC(=O)NC[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)CCO1 1065054018 NXQIVRVYBMDEBQ-GFCCVEGCSA-N 320.349 -0.120 30 20 DBED C[C@H]1CN(C(=O)Cn2ncnn2)C[C@H]1Nc1nccnc1C#N 1067149231 QXYRZSMENROZPI-GXSJLCMTSA-N 313.325 -0.706 30 20 DBED CC(C)C#CC(=O)N(C)CCCN(C)C(=O)[C@H]1CNC(=O)N1 1067359747 BUWGPWZCSPQCBB-GFCCVEGCSA-N 308.382 -0.366 30 20 DBED CN(C[C@@H]1CCCN1C(=O)CC(N)=O)c1ccc(C#N)nn1 1067743754 KARQGGNUEQGREN-NSHDSACASA-N 302.338 -0.349 30 20 DBED N#Cc1nccnc1N1C[C@@H]2CC[C@@H](NC(=O)C(N)=O)C[C@H]2C1 1068264474 DQCLFYIDPZSRDQ-GARJFASQSA-N 314.349 -0.445 30 20 DBED C=CCOCC(=O)N1CC2(CC[C@@H](CNC(=O)COC)O2)C1 1068490599 BGWZETNCHSZQPC-LBPRGKRZSA-N 312.366 -0.288 30 20 DBED N#CCSCC(=O)N1CCC[C@@H](NC(=O)Cn2ncnn2)C1 1070453539 UVJKIKKYFZOSFP-SNVBAGLBSA-N 323.382 -0.963 30 20 DBED N#CCN1C[C@H]2C[C@H]3CN(C(=O)Cc4cncnc4)C[C@@]3(C1)O2 1070793628 MYEKKIKVZHNQFE-SQWLQELKSA-N 313.361 -0.156 30 20 DBED Cc1cc(C(=O)N2CCC(=O)NCCN(CC#N)CC2)on1 1070938057 BIWQOVYPYLICCS-UHFFFAOYSA-N 305.338 -0.229 30 20 DBED C#CCCCC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CN(C)C(=O)N2)C1 1071070951 WVQLPBNNBGIKAD-OLZOCXBDSA-N 320.393 -0.079 30 20 DBED C=CCCC(=O)N1C[C@@H](NC(=O)Cn2ncn(C)c2=O)[C@H](C)C1 1071784534 GALZFZUGTKYXIU-VXGBXAGGSA-N 321.381 -0.489 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)c2cn[nH]c2)C1 1071932777 NJEUPCGMDZBICV-PWSUYJOCSA-N 317.349 -0.874 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)c3cc(C(N)=O)co3)C[C@H]21 1074338443 LOZTUGTYWQYHRY-CHWSQXEVSA-N 317.345 -0.073 30 20 DBED C=C(C)CN1CCO[C@@H]2CCN(C(=O)CCn3cnnn3)C[C@H]21 1074368949 NUUKYUBWEDBYRV-ZIAGYGMSSA-N 320.397 -0.059 30 20 DBED C#Cc1ccc(C(=O)N[C@@H](C)CCNC(=O)CNC(N)=O)cn1 1075545593 DOVMOEAWWOVOMU-JTQLQIEISA-N 317.349 -0.644 30 20 DBED C#CCC1(C(=O)N[C@@H](C)CCNC(=O)CNC(N)=O)CCC1 1075546649 BTZBWSXBXPPXHQ-NSHDSACASA-N 308.382 -0.141 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2ncn(-c3ccccc3)n2)C1 1077194825 WEBPJQSJMIVPDL-CHWSQXEVSA-N 312.333 -0.434 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)Cc2ccc(C(N)=O)cc2)C1 1078252527 LXSPKYSTVMJBBT-ZIAGYGMSSA-N 303.362 -0.325 30 20 DBED C=CCOCC(=O)N1CC(N(CC)C(=O)[C@@H]2CCN(C)C2=O)C1 1080301372 SHYMUXXLAZHHNK-CYBMUJFWSA-N 323.393 -0.273 30 20 DBED C=CCCn1cc(C(=O)N2C[C@H](O)[C@H](CNC(=O)CC)C2)nn1 1081143673 DQNJUWREZVQFKK-YPMHNXCESA-N 321.381 -0.187 30 20 DBED C=CCn1cc(C(=O)N2C[C@H](CNC(=O)CCC)[C@@H](O)C2)nn1 1081199689 MJKDLBARTBNYCR-AAEUAGOBSA-N 321.381 -0.187 30 20 DBED C#CCCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)CN(C)C(C)=O)C1 1081289938 QWDLTXFKSZKUCS-ZIAGYGMSSA-N 323.393 -0.796 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)Cn2ccnc2)C[C@@H]1O 1081444767 MTGGTEZWJMYBEL-KBPBESRZSA-N 318.377 -0.378 30 20 DBED C#CCOCCC(=O)NC[C@H]1CN(C(=O)C(F)F)C[C@@H]1O 1081489161 QOGYCCYMCUVNLE-UWVGGRQHSA-N 304.293 -0.773 30 20 DBED O=C(Cc1cnc[nH]1)NC[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1081799852 BQWDIYBTBMZMSU-TZMCWYRMSA-N 316.361 -0.699 30 20 DBED CNC(=O)NCCC(=O)NC[C@@H]1CCCCN1C(=O)[C@H](C)C#N 1082267477 QUPMISLVRRJDBD-NEPJUHHUSA-N 323.397 -0.038 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2cncn2C)C1 1083789704 QMFSVTSCTBYFRE-BHPKHCPMSA-N 302.378 -0.292 30 20 DBED C[C@@H](C(=O)N1C[C@H]2CCN(CC#N)C[C@H]21)N1C(=O)CCC1=O 1084387287 BGWYXOFZUAAUFL-QJPTWQEYSA-N 304.350 -0.420 30 20 DBED C#CCN[C@H]1C[C@H](CNC(=O)c2ccc(S(N)(=O)=O)o2)C1 1086417315 KLRWAPXQHDODHF-MGCOHNPYSA-N 311.363 -0.342 30 20 DBED N#CCN1C[C@H]2CC[C@H]1[C@@H]1CN(C(=O)Cn3cnnn3)C[C@@H]21 1087336333 ZWHVDXYTLCZDGV-XQHKEYJVSA-N 301.354 -0.635 30 20 DBED Cn1ncc(C(=O)N[C@@H]2CN(CC#N)CC3(CCOCC3)C2)n1 1089962464 ZOWQMQXSQVDKGU-LBPRGKRZSA-N 318.381 -0.060 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cc3c([nH]2)CCOC3)[C@H](O)C1 1090317204 XMFQBMGLQXKDSS-DZGCQCFKSA-N 303.362 -0.114 30 20 DBED C#CCN1CC[C@H](NC(=O)c2ccnn2CCOC)[C@@H](O)C1 1090349156 IWQYIIAYPHPGFO-JSGCOSHPSA-N 306.366 -0.672 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CN(c2ccc3nnnn3n2)C[C@H]1C 1090685530 DJOHXZVQAOIUOY-OPRDCNLKSA-N 300.326 -0.380 30 20 DBED C=CCCN1CC[C@H](NC(=O)c2cncc(C(N)=O)c2)[C@@H](O)C1 1090820076 MIQQPEZPBWGOMK-KBPBESRZSA-N 318.377 -0.078 30 20 DBED CC(=O)N(C)CC(=O)N[C@H]1CCN(c2cnc(C#N)cn2)[C@@H]1C 1091933445 KKGAPRICUYVUJZ-MFKMUULPSA-N 316.365 -0.090 30 20 DBED C[C@@H]1[C@@H](NC(=O)C(C)(C)C(N)=O)CCN1c1cncc(C#N)n1 1092022533 ONNLBLGKYZYVIS-KOLCDFICSA-N 316.365 -0.057 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)Cn3ccnc3)c3nccn32)C1 1092414064 PKZXIFBOQJBKBN-ZDUSSCGKSA-N 310.361 -0.015 30 20 DBED C[C@@H](C(=O)NCCNc1nccnc1C#N)[C@H]1CCC(=O)N1 1094132890 IGKGMEZFAAQTKZ-NXEZZACHSA-N 302.338 -0.209 30 20 DBED COCC(=O)N(C)CC(=O)NCCNc1ncc(C#N)cc1F 1094193018 GYPRGUNXNZBSMH-UHFFFAOYSA-N 323.328 -0.275 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)c3ccc(F)cn3)CC2=O)C1 1094727056 JYECMFJRTZOSJM-GFCCVEGCSA-N 316.336 -0.131 30 20 DBED C=C(C)CN1CC(N2C[C@@H](NC(=O)c3cnnn3C)CC2=O)C1 1094734195 SIIXOVVBBFEKQC-NSHDSACASA-N 318.381 -0.594 30 20 DBED C=C(C)CN1CC(N2C[C@H](NC(=O)c3nc[nH]n3)CC2=O)C1 1094796905 GBFIYKWCPXJJHQ-SNVBAGLBSA-N 304.354 -0.604 30 20 DBED C#CCNC(=O)CC(=O)NC1CCN(c2nccnc2F)CC1 1095412495 YTXMDFHFAVLEER-UHFFFAOYSA-N 319.340 -0.160 30 20 DBED CCN(CCCNC(=O)C1(C(N)=O)CC1)c1ccnc(C#N)n1 1095954698 DWKAAXNYVJBSPL-UHFFFAOYSA-N 316.365 -0.054 30 20 DBED CC(C)(C(N)=O)C(=O)NC[C@@H](N=c1cc[nH]c(C#N)n1)C1CC1 1096751222 ITWKQZOXNYLSFF-SNVBAGLBSA-N 316.365 -0.412 30 20 DBED N#Cc1nccnc1N[C@@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)C1CC1 1096809793 XWQRNIJDGNKZBO-SCVCMEIPSA-N 314.349 -0.224 30 20 DBED CC(=O)N[C@H](C)C(=O)N[C@H]1C[C@H](Nc2cncc(C#N)n2)C1 1096987761 XQTARBAUFCHTSI-FBIMIBRVSA-N 302.338 -0.068 30 20 DBED C[C@H](NC(N)=O)C(=O)N1CC[C@H](CN=c2cc[nH]cc2C#N)C1 1098521982 RDLUHOBVNNTGKG-WDEREUQCSA-N 316.365 -0.308 30 20 DBED C[C@@H]1CN(C(=O)Cn2cncn2)CC2(CCN(CC#N)CC2)O1 1098659368 JWBDJNLATLMPRV-CYBMUJFWSA-N 318.381 -0.116 30 20 DBED N#CCNCc1cn([C@@H]2CCN(C(=O)[C@@]34COC[C@@H]3C4)C2)nn1 1098676401 OIKWLBVGZAJYIG-LNSITVRQSA-N 316.365 -0.299 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2cnc(C)[nH]2)[C@@H](O)C1 1099726839 KCWDRWHTBXLCTL-OCCSQVGLSA-N 306.366 -0.467 30 20 DBED CNC(=O)NCC(=O)NCC[C@H](C)Nc1nccnc1C#N 1099747815 ISHYUFJGVBZBDF-VIFPVBQESA-N 305.342 -0.416 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CCN(CCC2CC2)C[C@@H]1O 1099788518 FYLKHJJKFMYRSO-KBPBESRZSA-N 307.394 -0.523 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CN(C)C(=O)C2CC2)[C@H](O)C1 1099863199 JVXSYWWJXKSWIA-ZIAGYGMSSA-N 307.394 -0.571 30 20 DBED C#CCN1CC[C@H](NC(=O)CNC(=O)c2cscn2)[C@H](O)C1 1100063750 BZTDKBXZMOQSHV-CMPLNLGQSA-N 322.390 -0.943 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cnn(CCCOC)c2)[C@H](O)C1 1100069753 MXQWWSDYFMHCCQ-LSDHHAIUSA-N 320.393 -0.282 30 20 DBED COCC#CCN1CC[C@H](NC(=O)Cn2ccnc2)[C@@H](O)C1 1100137075 VVXZQHDNACDNJN-KBPBESRZSA-N 306.366 -0.916 30 20 DBED CN(CCNC(=O)c1cc(C(N)=O)co1)c1nccnc1C#N 1100320305 VNOCZJVSMQNRBQ-UHFFFAOYSA-N 314.305 -0.094 30 20 DBED CN1CC[C@@H](C(=O)NCCN(C)c2nccnc2C#N)CC1=O 1100398722 SQJHZYYCHBQQBO-LLVKDONJSA-N 316.365 -0.231 30 20 DBED CCN(CCNC(=O)[C@@H]1CCC(=O)N1C)c1cncc(C#N)n1 1100679399 VCXUGSIEQWFFKT-LBPRGKRZSA-N 316.365 -0.088 30 20 DBED CCN(CCNC(=O)[C@@H]1CC(=O)N(C)C1)c1ccnc(C#N)n1 1100748895 DEVFCZIOSKDSCJ-LLVKDONJSA-N 316.365 -0.231 30 20 DBED CCCN(CCNC(=O)CCNC(N)=O)c1cnc(C#N)cn1 1101145258 JJZKZUQQWVBYNO-UHFFFAOYSA-N 319.369 -0.261 30 20 DBED CC#CCN1C[C@@H]2CN(C(=O)[C@H](C)NC(=O)COC)C[C@]2(C)C1 1101247797 SQUSALGPTBNIPP-VBQJREDUSA-N 321.421 -0.059 30 20 DBED C[C@H](CC(N)=O)C(=O)N(C)[C@H]1CCN(c2cnc(C#N)cn2)C1 1102752121 CHGMKTUXJXTINA-PWSUYJOCSA-N 316.365 -0.103 30 20 DBED C[C@@H](CN=c1cc[nH]cc1C#N)CNC(=O)[C@H]1CCNC1=O 1104156950 BEJRUXDTXLHRTO-JQWIXIFHSA-N 301.350 -0.325 30 20 DBED CC(=O)NCC(=O)NC[C@H]1CN(c2ncccc2C#N)CCO1 1104283133 HQZVTCDFKWWCIL-ZDUSSCGKSA-N 317.349 -0.589 30 20 DBED CCc1nc(C#N)cc(NC[C@H](C)N(C)C(=O)CNC(N)=O)n1 1104453172 UPWSSUZBVYLYDA-VIFPVBQESA-N 319.369 -0.162 30 20 DBED Cc1nonc1CC(=O)N(C)[C@@H](C)CN=c1cc[nH]c(C#N)n1 1104670532 CAEJUIUHEHBDEY-VIFPVBQESA-N 315.337 -0.037 30 20 DBED CC(C)[C@H](CNC(=O)CCCC(N)=O)N=c1cc[nH]c(C#N)n1 1105200770 QMKPROZZEGKJJC-NSHDSACASA-N 318.381 -0.022 30 20 DBED Cc1c(C(=O)N(C)CCN(C)c2cncc(C#N)n2)nnn1C 1105355023 BTQWZDCQCLGGHP-UHFFFAOYSA-N 314.353 -0.006 30 20 DBED CN1C[C@H](C(=O)N(C)CCN(C)c2ccc(C#N)nc2)NC1=O 1105536242 SDVMPPONOULLKO-CYBMUJFWSA-N 316.365 -0.129 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)CCc2nc[nH]n2)nc1 1105784345 GNGWXIFUNVFETP-NSHDSACASA-N 315.337 -0.407 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](C)[C@H](CNC[C@H](C)OC)C1 1106034357 CCJOXLJEFJVCGQ-HZSPNIEDSA-N 309.410 -0.155 30 20 DBED C#CCOCCC(=O)N1C[C@@H](C)[C@H](CNCc2nnn(C)n2)C1 1106115051 NKYRSYUDUHVKPN-CHWSQXEVSA-N 320.397 -0.566 30 20 DBED C[C@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)c1ncn(C)n1 1106316927 LZWDAUAFACVENM-SECBINFHSA-N 300.326 -0.481 30 20 DBED CCN(CCNc1cnc(C#N)cn1)C(=O)[C@H]1CN(C)C(=O)N1 1106907034 RNEBNCJOZVASEA-LLVKDONJSA-N 317.353 -0.368 30 20 DBED C[C@H](CNc1cncc(C#N)n1)NC(=O)c1ccc(=O)n(C)n1 1107753064 SKUGMHKTJCEQAW-SECBINFHSA-N 313.321 -0.328 30 20 DBED C=CCN1CCO[C@](C)(CNC(=O)Cn2nc(C)ccc2=O)C1 1108354479 ILUOGRJFJSDOEV-MRXNPFEDSA-N 320.393 -0.055 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)[C@@H]1CCCC(=O)N1C 1108473135 ABYOJOYLHUFRKC-QWRGUYRKSA-N 316.365 -0.302 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)C(C)(C)COC)CC2=O)C1 1108557005 OZBBZZONEUVAAQ-LBPRGKRZSA-N 307.394 -0.307 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)CCN(C)CCC)CC2=O)C1 1108586767 DCQUAZVRPOZUQK-CQSZACIVSA-N 320.437 -0.247 30 20 DBED C[C@H](CN(C)c1ncccc1C#N)NC(=O)Cn1cnnn1 1108850873 RPYWUHDHXPFIET-SNVBAGLBSA-N 300.326 -0.419 30 20 DBED C[C@@H](CN(C)c1ccnc(C#N)n1)NC(=O)C1(C(N)=O)CC1 1109217491 PSXCXMTVCHRDIZ-VIFPVBQESA-N 302.338 -0.445 30 20 DBED N#Cc1nc(=NCCN(CCO)C(=O)[C@H]2CCCO2)cc[nH]1 1111412718 AUJUDDKBOQKJQH-LLVKDONJSA-N 305.338 -0.818 30 20 DBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCCC(N)=O 1111507856 WWMWBRRNDMUXKW-UTUOFQBUSA-N 321.381 -0.997 30 20 DBED CNC(=O)CC(=O)NC[C@@H]1COCCN1c1ccncc1C#N 1111676620 XWIMMWJTYATHLE-GFCCVEGCSA-N 317.349 -0.589 30 20 DBED CN(C)CCC(=O)NC[C@@H]1COCCN1c1nccnc1C#N 1111719756 VCKYPKPNHHCCJZ-GFCCVEGCSA-N 318.381 -0.379 30 20 DBED CC(=O)NC(C)(C)C(=O)N[C@H](C)[C@H](C)N=c1cc[nH]c(C#N)n1 1113091178 DWGWDFVAKDQDOH-VHSXEESVSA-N 318.381 -0.010 30 20 DBED C[C@@H](CNC(=O)CN1CCOCC1)N(C)c1cncc(C#N)n1 1113558222 GJOSBPNJZOGCMW-LBPRGKRZSA-N 318.381 -0.379 30 20 DBED CC(=O)N1CC(C(=O)NC[C@H](C)N(C)c2ccnc(C#N)n2)C1 1113579430 MTOMPIKXMBSRGK-JTQLQIEISA-N 316.365 -0.233 30 20 DBED CC[C@@H](C)C(=O)NCC(=O)N1CCN(CC#CCOC)CC1 1113641954 VRWOCPFGOMZWAJ-CQSZACIVSA-N 309.410 -0.057 30 20 DBED C=CCNC(=O)NC(=O)CN1C[C@H]2[C@H](NC(=O)C(F)F)[C@H]2C1 1113752810 ORHIXOVIUPKUCX-MBTKJCJQSA-N 316.308 -0.690 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)CNC(=O)C3CC3)[C@@H]2C1 1113937548 HUVSOOJFCJSHIP-CHWSQXEVSA-N 305.378 -0.791 30 20 DBED C[C@H]1CCN(c2cnc(C#N)cn2)C[C@@H]1NC(=O)CNC(N)=O 1113996914 BVQMCIVULCHRMD-ONGXEEELSA-N 317.353 -0.652 30 20 DBED N#CCNC(=O)CN1C[C@H]2C(NC(=O)/C=C/c3ccc[nH]3)[C@H]2C1 1114183905 HJZWWHVVNJJLNX-KUJBENRCSA-N 313.361 -0.286 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)CC3(O)CCC3)[C@@H]2C1 1114249809 JJOKPFPINQLRAN-YNEHKIRRSA-N 319.405 -0.524 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)C3(N(C)C)CCC3)[C@H]2C1 1114405307 QEOWBYBZHUNMNQ-STQMWFEESA-N 318.421 -0.734 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)c3c[nH]nc3CC)[C@@H]2C1 1114502255 QNTIHGRTMKRQAD-VXGBXAGGSA-N 317.393 -0.066 30 20 DBED C[C@@H](CN(C)C(=O)[C@H](C)NC(N)=O)Nc1ccc(C#N)nn1 1115674582 KYCITRANRTUIPI-IUCAKERBSA-N 305.342 -0.336 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@H](C)c1ncnn1C)[C@@H]1CCCO1 1117543087 CWXUEAWZSPKOMB-VWYCJHECSA-N 305.338 -0.711 30 20 DBED C[C@@H](CN(C)C(=O)Cc1nc[nH]n1)Nc1cnc(C#N)cn1 1120068981 XIFKERIVYKCJFR-VIFPVBQESA-N 300.326 -0.032 30 20 DBED C#CC1CCN(c2nnnn2C[C@H]2CCS(=O)(=O)C2)CC1 1120126638 IJTZUBMQOLRGBW-GFCCVEGCSA-N 309.395 -0.043 30 20 DBED C[C@H](C#N)C(=O)NC1CC2(C1)CC(N[C@H](C)C(=O)NC(N)=O)C2 1120859242 PQZZIARXTUOECQ-DDMJHGPLSA-N 321.381 -0.254 30 20 DBED CN1CCC(C(=O)NC[C@@H](CO)N=c2cc[nH]c(C#N)n2)CC1 1121718834 QVESMXQWFPMLMQ-LBPRGKRZSA-N 318.381 -0.999 30 20 DBED N#Cc1cccnc1N[C@H](CO)CNC(=O)C12CCN(CC1)C2 1121806938 OFXHCXVFMHRKOX-ZDUSSCGKSA-N 315.377 -0.062 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)COCC(F)F)nn1 1122253109 CEBDDGWMPBHUDT-SECBINFHSA-N 315.280 -0.481 30 20 DBED CN1C[C@H](C(=O)NC[C@@H](CO)Nc2ccc(C#N)nc2)CC1=O 1122718159 LYSJTKCIOOVWCA-MFKMUULPSA-N 317.349 -0.679 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)c2c[nH]c(C#N)c2)C1=O 1125988142 MYAHWMUTOHPCRW-CYBMUJFWSA-N 301.350 -0.007 30 20 DBED C#CCOCCC(=O)NCCN[C@@H](C)c1nnnn1C1CC1 1127031886 LAYIRVAQHBQEMN-NSHDSACASA-N 306.370 -0.185 30 20 DBED CC#CCN[C@@H]1CN(C(=O)Cc2cnc[nH]2)C[C@@H]1n1ccnn1 1130024260 OYJGCWPUKOOPFI-KGLIPLIRSA-N 313.365 -0.391 30 20 DBED COCC#CCNCCNC(=O)c1ccc2c(n1)OCCO2 1130812211 HJYYYPNRAAYVRW-UHFFFAOYSA-N 305.334 -0.178 30 20 DBED C=CCN1C[C@H]2C[C@H]3CN(C(=O)[C@H](C)CC(N)=O)C[C@@]3(C1)O2 1131252443 RWODPHUQPFNWFZ-OQMKEHIESA-N 307.394 -0.014 30 20 DBED C[C@H]1CC[C@H](NC(=O)c2cccnn2)CN1CC(=O)NCC#N 1132369412 WZAFPYBSZZGDJE-RYUDHWBXSA-N 316.365 -0.301 30 20 DBED C[C@@H]1CCN(C(=O)CN2CCC(=O)NC2=O)C[C@H]1CNCC#N 1133234631 UWZHGTPUFDFBOQ-VXGBXAGGSA-N 321.381 -0.474 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)c1cnsn1 1133784103 FSYHHXDAHRQAMQ-NXEZZACHSA-N 309.395 -0.226 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)C1(CF)CCOCC1 1133862139 ATDPANFPTMRTAW-LBPRGKRZSA-N 313.373 -0.404 30 20 DBED C[C@@H](C[C@@H](C)NCC(=O)NCC#N)NC(=O)c1cncnc1 1134153271 XDQXBFFEZUXFES-MNOVXSKESA-N 304.354 -0.397 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)c1[nH]c(O)nc1C 1134681303 VFXVKDDCEQVBSJ-NXEZZACHSA-N 321.381 -0.340 30 20 DBED COCC#CCNCCNC(=O)[C@@H]1OCC[C@@H]1Cn1cccn1 1135138824 USLCXUYCOUCEBY-HUUCEWRRSA-N 320.393 -0.356 30 20 DBED C[C@H]1C[C@H](C(=O)N2CC3(CCN(CC(=O)NCC#N)C3)C2)CO1 1147812793 WUXMYZXYBVQWTL-STQMWFEESA-N 320.393 -0.415 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@@H](C)Oc1ccccn1 1148108239 SZJSTQZMHGLQED-GFCCVEGCSA-N 306.366 -0.143 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)COCc1cccnc1 1149203075 WDVRGKUKKPUYDO-ZDUSSCGKSA-N 320.393 -0.005 30 20 DBED CCOc1ncccc1C(=O)NCCNCC(=O)NCC#N 1149630383 UAISHFGNGOSXCD-UHFFFAOYSA-N 305.338 -0.561 30 20 DBED CC#CCN1CCCO[C@@H](CNC(=O)[C@@]2(C)CNC(=O)C2)C1 1150023242 SOKRNUXNXGFNEK-XJKSGUPXSA-N 307.394 -0.257 30 20 DBED COC[C@]1(C(=O)NC[C@H]2CN(CC#N)CCCO2)CCOC1 1150036658 QIWWNAOVGVJMJX-DZGCQCFKSA-N 311.382 -0.230 30 20 DBED C=CCO[C@H](C)C(=O)NCCNCC(=O)NC1CCOCC1 1153097537 NXEHDZVFNFABPI-GFCCVEGCSA-N 313.398 -0.422 30 20 DBED CN(CC#N)C[C@H]1CCCCN1C(=O)CC[C@H]1NC(=O)NC1=O 1158838421 XVXSQHFHCXDINP-VXGBXAGGSA-N 321.381 -0.189 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1cc(C)nnc1CC 1161272370 KEVBEYUCAKFNJI-UHFFFAOYSA-N 317.393 -0.194 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)c1ncc(OC)cn1 1162224197 WQLJPRAMEZEDDN-LLVKDONJSA-N 319.365 -0.667 30 20 DBED C=CCNC(=O)NC(=O)CNCCCNC(=O)c1c[nH]nc1C 1163661412 POMHNJFAWYHYMM-UHFFFAOYSA-N 322.369 -0.561 30 20 DBED N#CCNC(=O)CNCCCNC(=O)CCC1CCOCC1 1167581253 VAHMUUWRCURKHR-UHFFFAOYSA-N 310.398 -0.071 30 20 DBED C#CCNC(=O)CNCC1(CCNC(=O)CCCC(N)=O)CC1 1168507359 CTCSIUAFLMNHOU-UHFFFAOYSA-N 322.409 -0.733 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCC[C@@H](C)NC(=O)CC(N)=O 1169901428 SPUHTUJBSGLXJD-VXGBXAGGSA-N 310.398 -0.736 30 20 DBED C#CCNC(=O)CNCCCC[C@@H](C)NC(=O)[C@@H]1COC(=O)N1 1170492616 JMVQPYWGXBHUCL-NEPJUHHUSA-N 324.381 -0.891 30 20 DBED CC#CCN1CCO[C@@H]2CCN(C(=O)CCNC(=O)NC)C[C@H]21 1176999879 KUAULFWTWKRCRH-ZIAGYGMSSA-N 322.409 -0.370 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)COCCOCC)C[C@@H]21 1177156420 IJOSYJUMDPYFTJ-GJZGRUSLSA-N 310.394 -0.026 30 20 DBED C=CCNC(=O)CNCCCNC(=O)CCc1cn(C)nn1 1177511259 PQTWCJFITANFMD-UHFFFAOYSA-N 308.386 -0.854 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@H](NCC(=O)NC2CC2)[C@@H]1C 1178678475 KWASUOLSHRQWNY-SCRDCRAPSA-N 307.394 -0.118 30 20 DBED C#CCCN[C@H]1CCN(C(=O)COCc2ncnn2C)[C@H]1C 1179826597 YAWSKVDCHAMXJU-STQMWFEESA-N 305.382 -0.066 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)Cn2ccnc2)[C@H]1C 1180287826 KSTQDAWRTXHVKJ-IHRRRGAJSA-N 317.393 -0.400 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)C[C@@H]2COC(=O)C2)C1 1182006409 BCVRNEMOWZCMBI-NWDGAFQWSA-N 309.366 -0.568 30 20 DBED Cc1ccn(C)c1C(=O)N1CC[C@@H](NCC(=O)NCC#N)C1 1182174018 SWJSNIWUWAZFEF-GFCCVEGCSA-N 303.366 -0.223 30 20 DBED Cc1ccnc(C(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)n1 1182239658 AYHXZFYHZUHRHQ-LLVKDONJSA-N 302.338 -0.771 30 20 DBED C[C@@H]1CN(C(=O)C2CC(=O)NC(=O)C2)C[C@@]1(C)CNCC#N 1182876799 QTVOFYUQYHBBOR-MEBBXXQBSA-N 306.366 -0.363 30 20 DBED C[C@@H]1CN(C(=O)C[C@@H]2CC(=O)NC2=O)C[C@@]1(C)CNCC#N 1183676266 FRGLKRHOWGGRAQ-JRPNMDOOSA-N 306.366 -0.363 30 20 DBED C#CCCN[C@@H]1CCN(C(=O)CCCn2c(O)nnc2O)C1 1183782024 DJTWOBGCBVMJAO-LLVKDONJSA-N 307.354 -0.317 30 20 DBED CC#CCN[C@@H]1CCN(C(=O)C(C)(C)NS(C)(=O)=O)C1 1186193786 KXHFRSJVENUMFW-LLVKDONJSA-N 301.412 -0.472 30 20 DBED N#CCNC[C@@H]1CN(C(=O)Cn2cncn2)CC12CCOCC2 1186552544 GZQJGSONWSCFED-CYBMUJFWSA-N 318.381 -0.354 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2nccnc2N)C1 1189438137 NQJZAHMLQUNFAP-LLVKDONJSA-N 318.381 -0.493 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC=CCC2)C1 1190970132 XDYAFDBRGRNOAU-BFHYXJOUSA-N 307.394 -0.194 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)[C@H](C)CC(N)=O)C1 1191735014 JJMFXQUPUATXKG-VXGBXAGGSA-N 310.398 -0.667 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CN(CCNC(=O)C2CC2)C[C@H]1O 1192826648 IUHZMDBICXEMCG-ZIAGYGMSSA-N 305.378 -0.913 30 20 DBED C=CCC1(C(=O)N[C@@H]2CN([C@@H]3CCNC3=O)C[C@H]2O)CCC1 1195896902 FLPINGIBSQKJQY-JHJVBQTASA-N 307.394 -0.217 30 20 DBED C=CCCC1(C(=O)N[C@@H]2CN(CC(=O)NC(N)=O)C[C@H]2O)CC1 1195906063 NGTJXYDIQDJDGK-GHMZBOCLSA-N 324.381 -0.911 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)C[C@H](C)N2CCCC2=O)C1 1197768314 COUUYLDZKNTGQD-BFHYXJOUSA-N 307.394 -0.428 30 20 DBED COCC#CCN1CCCN(C(=O)c2ccc(=O)n(C)n2)CC1 1198040530 LZPGMULYIKQXAR-UHFFFAOYSA-N 318.377 -0.422 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]cc2C)C1 1198661942 JRYRYRNETCFZNL-MRVWCRGKSA-N 318.377 -0.764 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)CN2CCCC2=O)CCCO1 1199787951 RDSKMHSNNTYGGI-CQSZACIVSA-N 307.394 -0.161 30 20 DBED C#CCNC[C@@H]1CN(C(=O)[C@H](NC(C)=O)C(C)C)CCCO1 1201901701 UHBLXNWCFZFFEO-HUUCEWRRSA-N 309.410 -0.013 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(CCC[C@@H](C)O)C[C@H]1C 1206887652 VLORUTOEJPJKCT-MGPQQGTHSA-N 309.410 -0.277 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(CCN2C(=O)CNC2=O)C[C@H]1C 1206911133 COBANMZQNMQRSW-CHWSQXEVSA-N 320.393 -0.222 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[nH]2)C[C@H]1C 1206960224 ZCOBXWHAKNYCDX-VXGBXAGGSA-N 321.381 -0.915 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCCN(C(=O)CNC(=O)OC)C1 1207544011 GDLFBODIXPZIHU-NEPJUHHUSA-N 324.381 -0.939 30 20 DBED C=CCn1cc(C(=O)N2CCC[C@@H](NCCOCCO)C2)nn1 1210010042 LLFMYASFQPGYRG-CYBMUJFWSA-N 323.397 -0.333 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@@H](NC(C)=O)[C@@H](C)CC)[C@H](OC)C1 1213895958 OYRGYBOSLAMDEU-MYPMTAMASA-N 309.410 -0.014 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](NCC(=O)N2CCOCC2)[C@H](C)C1 1214582439 SUKPJDYUSJNQPK-HUUCEWRRSA-N 321.421 -0.059 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CN(Cc2noc(C3CC3)n2)C[C@@H]1O 1219383227 HHSICLPETPRZAO-GDPRMGEGSA-N 305.338 -0.232 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)C#CC(C)C)C1 1219589273 WGDAJODIRFZOKZ-MJBXVCDLSA-N 307.394 -0.502 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)CC(C)(F)F)C1 1220307410 RNKRZGAGULPDID-AXFHLTTASA-N 317.336 -0.669 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@@H](c2cccnc2)N(C)C)C1 1221105280 AOPWGOCPZNLLDD-OWCLPIDISA-N 316.405 -0.131 30 20 DBED C#CCN1CCS(=O)(=O)[C@@H](CCNC(=O)[C@H]2CC2(F)F)C1 1230461048 XAEYFMQXQVXZIW-WDEREUQCSA-N 320.361 -0.120 30 20 DBED C=CCN(C(=O)C(=O)c1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1318199127 GSBWSSTYXRCPTH-NSHDSACASA-N 311.363 -0.196 30 20 DBED CCOC(=O)CN(C)C(=O)CCN/C(O)=C1\N=CC=CC1=O 1319273533 YXCCUPNUAQMZGE-BUHFOSPRSA-N 309.322 -0.076 30 20 DBED C#C[C@H](NC(=O)C(=O)Nc1cccc(C(N)=O)n1)[C@@H]1CCCO1 1320691833 SVXMTZSIHKPXGG-ONGXEEELSA-N 316.317 -0.584 30 20 DBED C#CC(C)(C)NC(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1 1320821681 UWZWAZRCELRSTP-UHFFFAOYSA-N 309.347 -0.200 30 20 DBED N#C[C@]1(F)CCN(C(=O)C(=O)NCCOC[C@@H]2CCOC2)C1 1322813310 YRGHSYWJSIDIIZ-BXUZGUMPSA-N 313.329 -0.380 30 20 DBED N#CCN1CCC(NC(=O)C(=O)NCC2(CC#N)CC2)CC1 1323266344 VSHWTSWOLFNCGO-UHFFFAOYSA-N 303.366 -0.099 30 20 DBED N#CC1CCN(C(=O)C(=O)NCCCC(=O)NC2CC2)CC1 1325710804 NZWCJWODQLJBHA-UHFFFAOYSA-N 306.366 -0.076 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)N2CC[C@@H]3OCCC[C@@H]3C2)C1 1327025864 VYIQHOJJFOLLEI-WWGRRREGSA-N 321.377 -0.109 30 20 DBED C#C[C@H](NC(=O)C(=O)N1C[C@H](OC)[C@H](OC)C1)[C@@H]1CCCO1 1327259711 UWWBROIJMDMOSU-ZDEQEGDKSA-N 310.350 -0.844 30 20 DBED C[C@H](O)c1cn(CC(=O)OCC(=O)NC2(C#N)CCC2)nn1 1328701456 TYXBQGAVQGSXMR-VIFPVBQESA-N 307.310 -0.563 30 20 DBED C=C(C)C[C@@H](NC(=O)Cn1ncn2nccc2c1=O)C(=O)O 1330252689 JHDVSSDYDYHYES-SECBINFHSA-N 305.294 -0.573 30 20 DBED CS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)C1 1332058206 NCCBNJBZGAFHNE-HBNTYKKESA-N 313.379 -0.560 30 20 DBED CCN1C[C@H](C)N(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)C[C@@H]1C 1332375367 CSSUVDUJJCAREY-XEZPLFJOSA-N 322.409 -0.195 30 20 DBED C#C[C@H](NC(=O)C(=O)NCCC(=O)OC(C)C)[C@H]1CCCO1 1340279342 QNCZDNXZEMZDNK-NWDGAFQWSA-N 310.350 -0.259 30 20 DBED CC(C)c1noc(CCNC(=O)C(=O)N2CCO[C@@H](C#N)C2)n1 1342057701 RJNASSBEKPVIBH-JTQLQIEISA-N 321.337 -0.397 30 20 DBED C=C(C)Cn1c(CCO)nnc1N1C[C@H]2C(=O)N(C)C(=O)[C@H]2C1 1342663179 VNPXUOXGBVVYGO-PHIMTYICSA-N 319.365 -0.560 30 20 DBED C=CCCCNC(=O)C(=O)N1CCC(NC(=O)COC)CC1 1342929341 HIUHBIWRHKTXDL-UHFFFAOYSA-N 311.382 -0.178 30 20 DBED C=C(C)COCCNC(=O)C(=O)N1CC[C@@H](OCCOC)C1 1343167827 CJKXXPZGYMLUIA-CYBMUJFWSA-N 314.382 -0.041 30 20 DBED C=C(C)COCCn1nnnc1N(C)[C@H]1CCS(=O)(=O)C1 1344069703 NHXOYECSCXFVHK-NSHDSACASA-N 315.399 -0.111 30 20 DBED CN(C)CCN(CCN(C)C)C(=O)C(=O)N1CCC[C@@H](C#N)C1 1345488783 VQADSKYRMATKNZ-AWEZNQCLSA-N 323.441 -0.300 30 20 DBED N#Cc1ccnc(N2CCN(C(=O)Cn3cnc(N)n3)CC2)c1 1361617203 FMAVVHLDYVECAZ-UHFFFAOYSA-N 312.337 -0.524 30 20 DBED N#Cc1ccc(CC(=O)NC[C@]2(O)CCS(=O)(=O)C2)cc1 1362957585 MNFBPFLVBRZKOY-CQSZACIVSA-N 308.359 -0.233 30 20 DBED CC(C)(CC#N)CNC(=O)NC[C@]1(O)CCS(=O)(=O)C1 1365196979 ZFFNRINHMLUKHJ-GFCCVEGCSA-N 303.384 -0.225 30 20 DBED CNC(=O)CCCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)C#N 1374929254 FCUTZWRBJVFHLA-SRVKXCTJSA-N 306.366 -0.126 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNCC(=O)N(C)c1ccccc1 1379192127 VZKIRJGRHNMXGN-OCCSQVGLSA-N 318.377 -0.124 30 20 DBED COc1cc(C(=O)N2CC[C@@H](NC(=O)[C@H](C)C#N)C2)nn1C 1385612238 LMWMSQMKLZXOCS-NXEZZACHSA-N 305.338 -0.081 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1cc2n(n1)CCCC2 1392135135 UZBWJGLWUBZEBZ-JQWIXIFHSA-N 319.365 -0.414 30 20 DBED C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)C[C@@H]1CCC(=O)N1 1397405372 KITJEWGJUSMSNV-ONGXEEELSA-N 317.349 -0.210 30 20 DBED COC[C@@H](OC)C(=O)NC1(CNC(=O)c2cc(C#N)c[nH]2)CC1 1410698491 HMVCWHIPEHUSGC-GFCCVEGCSA-N 320.349 -0.074 30 20 DBED CCN(CCNC(=O)[C@H](C)C#N)C(=O)c1ccc(C(N)=O)[nH]1 1415719988 KLVDAOHNNQZTDE-SECBINFHSA-N 305.338 -0.148 30 20 DBED C[C@H](C(=O)NC[C@@H]1CCCN1CCCO)n1cnc(C#N)n1 1417876712 VZXSBODTGIJDPM-NEPJUHHUSA-N 306.370 -0.326 30 20 DBED CCN1C[C@H](C(=O)NCC2(NC(=O)[C@@H](C)C#N)CC2)CC1=O 1433914288 XMIJPRTTXIKIGL-WDEREUQCSA-N 306.366 -0.221 30 20 DBED Cn1cc(S(=O)(=O)N2CCC(CC#N)CC2)c(O)nc1=O 1434564828 ZEUJELBNTLISJB-UHFFFAOYSA-N 312.351 -0.200 30 20 DBED CC(C)[C@@H](C)NC(=O)CN1CC(O)(CNC(=O)[C@H](C)C#N)C1 1446829931 SGPADDOFCQMDNW-VXGBXAGGSA-N 310.398 -0.530 30 20 DBED CCNC(=O)NC(=O)CNC[C@@H](C)NC(=O)c1cc(C#N)c[nH]1 1483120231 YKMXNGQNDUYIOU-SECBINFHSA-N 320.353 -0.560 30 20 DBED C#CCNC(=O)CNC[C@H]1CCCN1C(=O)[C@@H]1CCCCO1 1483927224 ZUXOHLVQWVCQHL-KGLIPLIRSA-N 307.394 -0.115 30 20 DBED N#Cc1ccccc1CNC[C@@H](O)CNC(=O)c1cnn[nH]1 1497006205 PWTIEMSIVSJNRE-GFCCVEGCSA-N 300.322 -0.443 30 20 DBED C[C@H](C#N)C(=O)NCC1CN(C(=O)COC[C@H]2CCCO2)C1 1498677499 KHVVKKPAZBOAAG-DGCLKSJQSA-N 309.366 -0.084 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H](C)CNC(=O)CCCc1cnn[nH]1 1575013323 NWAVNIZYTVIFAL-NEPJUHHUSA-N 321.381 -0.213 30 20 DBED C[C@H](C(=O)NCCNc1ccc(C#N)cn1)N1CCNCC1=O 1575070360 YNVWCTQHOWGCOI-LLVKDONJSA-N 316.365 -0.698 30 20 DBED C[C@H]1CN(c2cnc(-c3nn[nH]n3)c(C#N)n2)C[C@H](C)C1O 1576364981 MVXMWBWYIORJLO-YUMQZZPRSA-N 300.326 -0.019 30 20 DBED CC1(C)NCC[C@H]1NC(=O)CCn1cc(C#N)c(O)nc1=O 1576487296 ITJARIQACLYVRJ-SNVBAGLBSA-N 305.338 -0.533 30 20 DBED N#CC1(C(=O)N[C@H]2CC(=O)N(C3CNC3)C2)CCSCC1 1580036232 QISKXOREGZTFPC-JTQLQIEISA-N 308.407 -0.288 30 20 DBED N#C[C@H]1COCCN1C(=O)CNc1ccc(-c2nn[nH]n2)cn1 1581856815 FPRFQPUBIPCDMY-JTQLQIEISA-N 314.309 -0.575 30 20 DBED C#CCCn1cc(CN2CCOCC2)cc(-c2nn[nH]n2)c1=O 1588347859 YJRBWIDUYXJBAY-UHFFFAOYSA-N 314.349 -0.116 30 20 DBED C#CCN(CC(=O)O)C(=O)c1cccc(N2CCN(C)CC2)n1 1588418888 ITVWBEAGUVOABT-UHFFFAOYSA-N 316.361 -0.007 30 20 DBED N#CC1(CS(=O)(=O)NCc2ccc(-c3nn[nH]n3)cn2)CC1 1592670544 FKJDFBHWYVQOHT-UHFFFAOYSA-N 319.350 -0.015 30 20 DBED N#Cc1nc(N2CCN3C[C@@H](F)C[C@H]3C2)cnc1-c1nn[nH]n1 1592706233 BIZKLBRBQYILJD-IUCAKERBSA-N 315.316 -0.239 30 20 DBED COCCN1CCCN(C(=O)[C@@](C)(C#N)CC(=O)O)CC1=O 1594015379 YICVZIPFAXWDET-CQSZACIVSA-N 311.338 -0.302 30 20 DBED N#Cc1cn(C2CN(c3ncc(C(=O)O)cn3)C2)c(=O)nc1O 1601129381 AVMILSCZPBQQMC-UHFFFAOYSA-N 314.261 -0.630 30 20 DBED C#CCN(CC(=O)O)c1nnc(C2CCN(CCO)CC2)n1C 1602701090 VSKGSTBIQZUAPQ-UHFFFAOYSA-N 321.381 -0.489 30 20 DBED CN1CCC(C(=O)N[C@H]2CCN(CC(=O)NCC#N)C2)CC1 1713086273 HBHDNOFLEKDWNZ-ZDUSSCGKSA-N 307.398 -0.842 30 20 DBED C=CCNC(=O)CN(C)CCCNC(=O)c1cc(=O)n(C)cn1 1751991881 MXPNJHRTABFZOO-UHFFFAOYSA-N 321.381 -0.866 30 20 DBED C[C@H](Oc1cccnc1)C(=O)NC[C@@H](C)NCC(=O)NCC#N 1752899576 COOKTULDYMZHLQ-NEPJUHHUSA-N 319.365 -0.417 30 20 DBED C#CCNC(=O)CN1CC[C@@H](CNC(=O)CC[C@H](C)OC)C1 1753123088 RJMZBKAFWDMVES-KBPBESRZSA-N 309.410 -0.011 30 20 DBED C#CCO[C@@H](C)C(=O)NCC[C@H]1CCN(CC(=O)NCC#N)C1 1753327820 JHMCLAVILBVEQM-KBPBESRZSA-N 320.393 -0.507 30 20 DBED CN(CC(=O)NCC#N)C[C@@H]1CCN(C(=O)C2CCOCC2)C1 1753346668 JSEPTKCHHAOPPM-ZDUSSCGKSA-N 322.409 -0.167 30 20 DBED C#CCNC(=O)CN1CC(CNC(=O)CCn2cccc2)C1 1753413223 VNPFRDSTYMPSTG-UHFFFAOYSA-N 302.378 -0.324 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H](CC)CNC(=O)Cc1cc[nH]n1 1753469406 ZJOJMGGXBZMUGU-NEPJUHHUSA-N 305.382 -0.426 30 20 DBED C#CCN1CCC(C(=O)NC[C@H](C)CN[C@@H](C)C(=O)NC)CC1 1753645005 QFLYWKAWLWECLK-KGLIPLIRSA-N 322.453 -0.192 30 20 DBED C#Cc1cccc(NC(=O)CN(C)CCN(C)C(=O)C(N)=O)c1 1753862896 USFJYBUVDAXKKO-UHFFFAOYSA-N 316.361 -0.518 30 20 DBED C=C(C)CCC(=O)NC[C@@H](O)CNCC(=O)N1CCOCC1 1753912508 MYCQBMXNQJZERM-ZDUSSCGKSA-N 313.398 -0.732 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H](C)CNCCN1CCCC1=O 1754229371 CBHOPZGBFBVYSN-CABCVRRESA-N 320.437 -0.199 30 20 DBED C[C@H](CNCC(=O)NCC#N)NC(=O)C1CC2(CCOCC2)C1 1754250025 ZDSJFYOROILRRG-GFCCVEGCSA-N 322.409 -0.073 30 20 DBED N#CCNC(=O)CNC1(CNC(=O)c2c(F)cncc2F)CC1 1754514846 KGYRAKYDPHPDSV-UHFFFAOYSA-N 323.303 -0.148 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H]1COCCN1Cc1cnn(C)n1 1754967790 PLPJMLJNHJKRBL-JSGCOSHPSA-N 321.381 -0.830 30 20 DBED C=CCCNC1(CNC(=O)Cn2cnc(C(N)=O)n2)CCC1 1754980964 YCCAUHLFGUNCMM-UHFFFAOYSA-N 306.370 -0.418 30 20 DBED N#CCNC[C@H]1CN(C(=O)[C@@H]2CCc3nccn3C2)CCO1 1755004361 GVSMRJGFFNPRJG-OLZOCXBDSA-N 303.366 -0.214 30 20 DBED CCC(=O)NCC(=O)N[C@H]1CN(CC#CCOC)CC1(C)C 1755408603 UEOVLCFWHVMIGV-ZDUSSCGKSA-N 309.410 -0.011 30 20 DBED C#CCN(C)C[C@H](O)CN(C)C(=O)[C@@H]1CCc2ncncc2C1 1755802090 PHRWCKZQXFKCHX-HIFRSBDPSA-N 316.405 -0.034 30 20 DBED CC(C)N(CCN(C)CC(=O)NCC#N)C(=O)Cc1ncc[nH]1 1755814767 NLIWAIQUABGQJY-UHFFFAOYSA-N 320.397 -0.239 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](CO)CNC(=O)C1=CCOCC1 1756514254 VNDQHTUBNNETAU-MCIONIFRSA-N 324.377 -0.483 30 20 DBED C=CCC1(C(=O)N[C@@H]2CN(C(=O)CC(N)=O)C[C@H]2O)CCC1 1757032025 XSEYKCJPBQKSNL-GHMZBOCLSA-N 309.366 -0.704 30 20 DBED CC#CCCCC(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 1757329609 ZJKNWOZTUIXYIQ-XQQFMLRXSA-N 320.393 -0.128 30 20 DBED CS(=O)(=O)N1CCC[C@@H]1CNC(=O)C1(C#N)CCOCC1 1771631996 IJDCDTMFPRGJFB-LLVKDONJSA-N 315.395 -0.153 30 20 DBED COC(=O)Cn1cc(C(=O)/C=C/c2cc(C(=O)O)nn2C)nn1 1777109642 FWZGSNDCMMNONS-ONEGZZNKSA-N 319.277 -0.221 30 20 DBED C=CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncon1 1798352794 ZCVWNHKLJATQSX-PEGIJTEDSA-N 306.322 -0.151 30 20 DBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1839807317 ZWQBLZZICCKXAN-MRXNPFEDSA-N 317.345 -0.620 30 20 DBED C#CCNC(=O)COC(=O)Cn1cnc2sccc2c1=O 27737793 GLDIWRMXJLVBIP-UHFFFAOYSA-N 305.315 -0.249 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(Cc2ncc(C)o2)c1=O 133902993 XTRYSUVHXWWOCN-UHFFFAOYSA-N 304.306 -0.112 30 20 DBED C/N=C(/NCCOC)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 261857598 YWYHPGXAWFMXBS-AWEZNQCLSA-N 311.386 -0.482 30 20 DBED COC[C@@H](C)N/C(N)=N/Cc1cccc(S(N)(=O)=O)c1 264110453 QQBNXWOTUKQEQK-SECBINFHSA-N 300.384 -0.227 30 20 DBED C[C@@H]1CCC[C@](C#N)(NC(=O)CN2C(=O)C(=O)N(C)C2=O)C1 265386835 RQRMDVJLOJQOQL-OTYXRUKQSA-N 306.322 -0.004 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCSC[C@H]2C#N)C1=O 271693490 FRBVMHHDLQYFSV-SECBINFHSA-N 322.346 -0.569 30 20 DBED Cc1ccc(CNc2c(C#N)c(=O)n(C)c(=O)n2C)c(=O)n1C 278846862 WXBOMPFNYNADPN-UHFFFAOYSA-N 315.333 -0.425 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N1CC(=O)N(CC2CC2)C1 278988536 PTVVGGULPOKVAO-UHFFFAOYSA-N 315.395 -0.192 30 20 DBED C=CC[C@H](CC)NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 281494119 VNFSOMHWMXSYKH-JTQLQIEISA-N 319.365 -0.095 30 20 DBED O=C(C/N=C(/O)CN1CCN2C(=O)CC[C@H]2C1)N1CCCC1 329068484 XOUPUAZWIRHQMN-LBPRGKRZSA-N 308.382 -0.128 30 20 DBED CC(=O)N1CCCN(/C(O)=N/CCN2CCN=C(O)C2)CC1 329302675 NLMHJBHGMLAOAN-UHFFFAOYSA-N 311.386 -0.273 30 20 DBED COC(=O)[C@@H]1CNC(=O)CN1C(=O)c1ncc(C#N)cc1Cl 331005092 WCFYQBGFNIHYRE-VIFPVBQESA-N 322.708 -0.280 30 20 DBED NS(=O)(=O)[C@H]1CCN(/C(O)=N/CCOCC(F)(F)F)C1 331278286 GVSXFVSDPJQBLU-ZETCQYMHSA-N 319.305 -0.158 30 20 DBED COCCN1CCN(S(=O)(=O)N(C)C[C@H](C)C#N)CC1 336912404 KARIYTDDWRLNNB-GFCCVEGCSA-N 304.416 -0.413 30 20 DBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cnnn1C 337007479 ALELINRIDXBFRG-JTQLQIEISA-N 312.337 -0.172 30 20 DBED N#Cc1ccc(S(=O)(=O)NCc2nnc3n2CCC3)cn1 337804232 JRUZEMNUEDMMHN-UHFFFAOYSA-N 304.335 -0.031 30 20 DBED CN(C)CCN1C[C@@H](C(=O)N2CCSC[C@@H]2C#N)CC1=O 342206233 ADJJXGSDCBITJS-RYUDHWBXSA-N 310.423 -0.136 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)CN2CCCC2)CC1 343642607 LVSCUJFLVYPHKJ-CQSZACIVSA-N 308.426 -0.083 30 20 DBED CC(=O)N[C@@H](CC(=O)N[C@H](C#N)c1ccccc1F)C(N)=O 345973148 WISTZPMCMSVPCY-NWDGAFQWSA-N 306.297 -0.113 30 20 DBED C=CCNC(=O)NC(=O)CN(C1CC1)[C@@H]1CCS(=O)(=O)C1 346031574 VZVXLRFNZDJEIQ-LLVKDONJSA-N 315.395 -0.350 30 20 DBED COc1ccc(C)cc1NC(=O)C(=O)NCC(=O)NCC#N 357302291 JCSYNCZOXHLRRF-UHFFFAOYSA-N 304.306 -0.302 30 20 DBED CNS(=O)(=O)[C@H]1CCCN(CCC(=O)N(C)CCC#N)C1 367503918 XKZJEXVWCQFIBY-LBPRGKRZSA-N 316.427 -0.238 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1CCO[C@@H](COC)C1 370183264 KLCSWJBICXTIJI-GFCCVEGCSA-N 321.399 -0.560 30 20 DBED COc1ccncc1CNS(=O)(=O)N1CCO[C@H](C#N)C1 431577567 HGRFETMBKBHIQY-LLVKDONJSA-N 312.351 -0.351 30 20 DBED C#CCN1CCN(C(=O)CN2C(=O)N[C@H](C(C)C)C2=O)CC1 490762915 NOLBNJNQAQZZOC-CYBMUJFWSA-N 306.366 -0.660 30 20 DBED C#C[C@H](C)N(C)C(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 491734567 LJTYYQQFBHDBOD-KBPBESRZSA-N 307.394 -0.353 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)[C@H]2CCCS2(=O)=O)C1=O 516782672 YXBNWYBKZSEYFD-WDEREUQCSA-N 300.380 -0.191 30 20 DBED N#CC1(CS(=O)(=O)N2CC[S@](=O)C[C@H]2C(=O)O)CC1 562322486 SDNQSNDQVNSBST-ASCAZGACSA-N 306.365 -0.863 30 20 DBED CC(C)[C@@H](C#N)NC(=O)c1nc(N)nc(N2CCOCC2)n1 579601085 YBOIVQHXMWJAJT-SECBINFHSA-N 305.342 -0.432 30 20 DBED N#Cc1ccc(S(=O)(=O)N2CCN(Cc3nc[nH]n3)CC2)o1 593652670 JZPIKCAKELRVKX-UHFFFAOYSA-N 322.350 -0.224 30 20 DBED CO[C@H]1CS(=O)(=O)C[C@@H]1NS(=O)(=O)CC1(C#N)CC1 594823060 QPYXFAMNBDZLFI-IUCAKERBSA-N 308.381 -0.978 30 20 DBED N#Cc1ccc(C(=O)N2CCCC[C@@H]2CNS(N)(=O)=O)[nH]1 597736681 NGVGJGXAIOSSIS-SNVBAGLBSA-N 311.367 -0.326 30 20 DBED N#CCCN1CCN(C(=O)C(=O)NCCn2cccc2)CC1 602249677 AJSFOTWCYLVVHS-UHFFFAOYSA-N 303.366 -0.338 30 20 DBED COC(=O)CNC(=O)CCN1CCN([C@H](C#N)C(C)C)CC1 609538829 YJKHNGYCACIGAD-CYBMUJFWSA-N 310.398 -0.169 30 20 DBED COc1cc(C#N)ccc1NC(=O)C(=O)N1C[C@H](O)C[C@H]1CO 615318836 KDBPXHURDSSYCO-WDEREUQCSA-N 319.317 -0.541 30 20 DBED C#CC(C)(C)NS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 733899142 WXOQRUWIUCZWCV-UHFFFAOYSA-N 307.331 -0.094 30 20 DBED Cc1nnc(S[C@@H](C(N)=O)c2ccc(C#N)cc2)n(N)c1=O 734367833 MCOWYTPNLBBZQR-SNVBAGLBSA-N 316.346 -0.149 30 20 DBED Cn1cc(C(=O)NC[C@H]2CCCN(CC#N)C2)c(=O)n(C)c1=O 748322738 UHFMLOFOWJQRED-LLVKDONJSA-N 319.365 -0.951 30 20 DBED C=CCNC(=O)[C@H](C)OC(=O)Cn1cnc2c(N)ncnc21 750509747 OIHLMNOQOLIHOR-QMMMGPOBSA-N 304.310 -0.358 30 20 DBED CC(=O)N1CCOC[C@H]1C(=O)NCCNc1ccc(C#N)cn1 763722599 CVOBEBMIQVJUFC-ZDUSSCGKSA-N 317.349 -0.271 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@@H](S(=O)(=O)NCC)C1 771403090 HSVMTGKORIFWQQ-OLZOCXBDSA-N 313.423 -0.376 30 20 DBED C#CCN1CCC(C(=O)N[C@H](Cn2ccnc2)C(=O)OC)CC1 779565955 IGBYYTKGSMLTIK-CQSZACIVSA-N 318.377 -0.114 30 20 DBED Cn1c(C=NNc2cncnc2)nc2c1c(O)nc(=O)n2C 794979386 YSANZXSYDOSOBQ-UHFFFAOYSA-N 300.282 -0.391 30 20 DBED C#CCC[C@@H](O)CNC(=O)[C@@H](C(C)C)N1CCCS1(=O)=O 799075400 KGOGXVRAEHUJLE-CHWSQXEVSA-N 316.423 -0.063 30 20 DBED CC[C@@]1(C)NC(=O)N(NS(=O)(=O)N(C)CCC#N)C1=O 808308547 AQHHQTHJQMPYDO-SNVBAGLBSA-N 303.344 -0.698 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@H]1CCn2ccnc2C1)[C@@H]1CCCO1 809310776 UQCAXPGYHQPBIY-AVGNSLFASA-N 316.361 -0.389 30 20 DBED C#CC1CCN(C(=O)CNS(=O)(=O)CCOCC)CC1 814282003 YQDFIVHEBMPFCB-UHFFFAOYSA-N 302.396 -0.186 30 20 DBED C=C[C@@H](O)C(=O)OCC(=O)NC1CCN(C(=O)OCC)CC1 814550513 TUZLGZYHUORUDX-LLVKDONJSA-N 314.338 -0.186 30 20 DBED Cc1cn2c(=O)c(C(=O)N[C@H]3CNC[C@H]3C#N)cnc2s1 834484012 CJBCQQLLMMIJEC-SCZZXKLOSA-N 303.347 -0.094 30 20 DBED CCOC(=O)CON=C(C(=O)N[C@H]1CO[C@@H](C)C1)c1cc[nH]n1 844099623 OLZZLRDFIMOGLK-VHSXEESVSA-N 324.337 -0.013 30 20 DBED C#CCC[C@H](O)CNC(=O)CCn1cnc2c(N)ncnc21 847169690 CFBPIKDTGMCBLJ-JTQLQIEISA-N 302.338 -0.311 30 20 DBED Cc1nn(CC(=O)[C@H](C#N)C(=O)NC2CCCC2)c(=O)n1C 847625478 MXCSFMYLATWOJW-NSHDSACASA-N 305.338 -0.342 30 20 DBED C#CCN1CCN(C(=O)CN(C(C)C)S(C)(=O)=O)CC1 853715936 NVNDCNGNDCEURX-UHFFFAOYSA-N 301.412 -0.566 30 20 DBED C#CCOCCC(=O)N1CCCC[C@@H]1CNS(N)(=O)=O 854840835 UBRQEORHEZTVMK-LLVKDONJSA-N 303.384 -0.800 30 20 DBED C#CCN(C)CCCNC(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1 861837821 KAVZGFZTZXCREE-CYBMUJFWSA-N 317.393 -0.156 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)NCCO[C@H]1CCOC1 932873423 NAPKTMZSEUQAPK-ZDUSSCGKSA-N 312.366 -0.594 30 20 DBED O=C(N[C@H]1CCN(C(=O)C#CC2CC2)C1)c1nc2ncccn2n1 938504066 GIYHVTRBTRAVJQ-LBPRGKRZSA-N 324.344 -0.132 30 20 DBED C[C@H](C#N)C(=O)N1CCCN(C(=O)[C@H]2CCNC(=O)C2)CC1 940734798 WSSFPVSSIHSMRX-NEPJUHHUSA-N 306.366 -0.267 30 20 DBED C#CCN1CCOC2(CCN(C(=O)CS(C)(=O)=O)CC2)C1 949312007 VVXASZAJTDRJNY-UHFFFAOYSA-N 314.407 -0.642 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2CCN2C(=O)c2cnnn2C)nc1 951377733 FZOSOMREQZPEEL-LBPRGKRZSA-N 324.344 -0.164 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2cc[nH]n2)C1 953784486 RAXUUTYUVXAERF-AWEZNQCLSA-N 315.377 -0.210 30 20 DBED C=CCn1cc(C(=O)N2CCC(N(C)C(=O)C(N)=O)CC2)nn1 954258657 CCICGSKWANKYPX-UHFFFAOYSA-N 320.353 -0.988 30 20 DBED C[C@@H](C#N)C(=O)N1CC(N(C)C(=O)c2cccn3nnnc23)C1 954363403 FHSADQZGRGVJRT-VIFPVBQESA-N 313.321 -0.433 30 20 DBED C#CCN1C[C@H](CNC(=O)c2ccc3nnc(C)n3c2)[C@@H](O)C1 958200645 SGINQBSTQWOZOU-KBPBESRZSA-N 313.361 -0.307 30 20 DBED C=CCCN1C[C@H](CNC(=O)c2nc3ncccn3n2)[C@@H](O)C1 958506977 JBZYMDCQKNJPQG-RYUDHWBXSA-N 316.365 -0.277 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1nc[nH]n1 960756300 AXHLJZIXXAVKJQ-LPEHRKFASA-N 304.310 -0.984 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H]2CN(C(=O)c3ccncn3)C[C@@H]21 960878685 VOJADNJCAPNWIZ-WCFLWFBJSA-N 315.333 -0.312 30 20 DBED C[C@H]1C[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 962118685 OFFOTUCPTFPSNX-ZDAZMGEQSA-N 302.334 -0.156 30 20 DBED CCN1CCOC[C@@H]1C(=O)N1CC[C@]2(CN(CC#N)CCO2)C1 972441340 RGDBTXGRIVVIFN-ZBFHGGJFSA-N 322.409 -0.466 30 20 DBED CNC(=O)[C@H](C)N1C[C@H]2[C@H](CNC(=O)c3c[nH]c(C#N)c3)[C@H]2C1 978063426 OJRGLBVGMLQIEG-NZPIUUIZSA-N 315.377 -0.072 30 20 DBED C#CCN1C[C@@H]2C(CNC(=O)c3cn(C)c(=O)nc3O)[C@H]2C1 979066851 FQSZRQINTWSMKA-GHMZBOCLSA-N 302.334 -0.973 30 20 DBED CC#CCN1C[C@@H]2C(CNC(=O)[C@@H]3CCCS3(=O)=O)[C@H]2C1 979070011 GRXCGWDLRQBLQK-MCIONIFRSA-N 310.419 -0.119 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)C(N)=O)C2)nc1 983200711 XCJWRGOIRKNHNR-LLVKDONJSA-N 300.318 -0.874 30 20 DBED CN(C[C@H]1CCN(C(=O)C#CC2CC2)C1)C(=O)[C@H]1COC(=O)N1 987985951 QPEUHUIWCGRNEG-CHWSQXEVSA-N 319.361 -0.185 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)CN2CCCNC2=O)[C@H]1C 988888378 LPZNRAWAVXVJNU-TUAOUCFPSA-N 321.381 -0.333 30 20 DBED C=CCCn1cc(C(=O)N2CC(NC(=O)[C@@H]3CCOC3)C2)nn1 990413905 BMILQKRKWDAXBY-LLVKDONJSA-N 319.365 -0.169 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCN(C(=O)C(C)C)C[C@H]2O)nn1 991485486 HWKORBZPLUGOCS-DGCLKSJQSA-N 321.381 -0.188 30 20 DBED C[C@H](C(=O)NC1CN(C(=O)C#CC2CC2)C1)[C@@H]1CCC(=O)N1 1000345509 HEXATGGNSONLQP-GWCFXTLKSA-N 303.362 -0.359 30 20 DBED C#CCN1CCC(C(=O)NCC2=CCN(CC(N)=O)CC2)CC1 1001468374 QRKYLAFPPSFNFP-UHFFFAOYSA-N 318.421 -0.435 30 20 DBED Cn1ncc(C(=O)NCC2CN(C(=O)c3c[nH]c(C#N)c3)C2)n1 1003226870 KHCBTQHESAREID-UHFFFAOYSA-N 313.321 -0.483 30 20 DBED N#CCN1CCC(NC(=O)[C@@H]2CN3CC4CC3(CO2)C4)CC1 1003332439 MDWZFQMFLMQGHS-UGWHAMFMSA-N 304.394 -0.046 30 20 DBED CN(C(=O)[C@H]1CCc2nnc(O)n2C1)C1CCN(CC#N)CC1 1005606705 OSQAQUHXHXRTNA-NSHDSACASA-N 318.381 -0.008 30 20 DBED C[C@H](C#N)C(=O)N1CCCC2(CN(C(=O)[C@@H]3COC(=O)N3)C2)C1 1010637321 SWLYRHUSJZVBLT-MNOVXSKESA-N 320.349 -0.295 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2C(NC(=O)c3coc(C(N)=O)c3)[C@H]2C1 1013433990 BQUVIWXJEYDQHZ-JEZHCXPESA-N 316.317 -0.275 30 20 DBED C=CCN1CC[C@@H](N2CC[C@@H](NC(=O)c3[nH]nnc3C)C2)C1=O 1015478790 FFFHLOCUOSNJOW-VXGBXAGGSA-N 318.381 -0.296 30 20 DBED C=CCN1CC[C@@H](NC(=O)CN2CCS(=O)(=O)CC2)C1 1016243464 NKMCZSYQOUBVHP-GFCCVEGCSA-N 301.412 -0.907 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@H](NCc2cnnn2C)C1 1018986144 SANUXTSEWWXFMU-ZFWWWQNUSA-N 316.409 -0.397 30 20 DBED C#CCN[C@H]1CCN(C(=O)c2ccccc2OCC(N)=O)C1 1019116851 UTIPQAAIKYPXMC-LBPRGKRZSA-N 301.346 -0.012 30 20 DBED C#CCOc1ncccc1C(=O)N[C@H]1C[C@H](NCC(N)=O)C1 1020945767 TWMLPOWCUMTTAF-XYPYZODXSA-N 302.334 -0.571 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CCN(C(=O)CCn3ccnn3)[C@@H]2C1 1021469799 WXSRMVKYLFULQS-RWMBFGLXSA-N 316.365 -0.113 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@@H](NCc2nnnn2C)C1 1022843173 YNOZQIHJOCRNOP-OPDFLTKYSA-N 320.397 -0.072 30 20 DBED Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2O)c(O)n1 1025798148 MCHRUCCJNWOIRY-XXILOJSOSA-N 318.333 -0.443 30 20 DBED C#CCN(C)[C@@H]1CCCN(C(=O)Cn2ccc(=O)n(C)c2=O)C1 1027433556 BBHAQFOGGUOMIM-CYBMUJFWSA-N 318.377 -0.897 30 20 DBED Cn1cc(C(=O)N2C[C@@H]3CC[C@H](C2)N3CC#N)c(O)nc1=O 1029581868 CKPFKGOPKMTCGR-AOOOYVTPSA-N 303.322 -0.702 30 20 DBED C#CCN1CC(CNC(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)C1 1032047214 QTOYYZPQXGZHTD-HUUCEWRRSA-N 302.378 -0.031 30 20 DBED CC(C)CN1C[C@@H](C(=O)NC[C@@H]2CN(CC#N)CCO2)CC1=O 1035389449 CQDCFCWIJBEDKO-UONOGXRCSA-N 322.409 -0.169 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)[C@H]2CN3CC4CC3(CO2)C4)C1 1035445795 GJTKSUUXVRXDDM-KRIMKBQASA-N 319.405 -0.700 30 20 DBED Cn1cc(C(=O)N2CCC3(CC2)CN(CC#N)C3)n(C)c1=O 1035859067 PUUXLGOPWHINSQ-UHFFFAOYSA-N 303.366 -0.215 30 20 DBED C=CCN1CC[C@H](N2CC[C@H]2CNC(=O)c2nonc2C)C1=O 1039083475 XWESMYMAMLIGIF-RYUDHWBXSA-N 319.365 -0.031 30 20 DBED O=C(Cn1ccnc1)NC[C@@]1(O)CCN(C(=O)C#CC2CC2)C1 1040215894 YCLBRDJQBVRXGG-INIZCTEOSA-N 316.361 -0.624 30 20 DBED C#CCCCCC(=O)N1CC[C@@](O)(CNC(=O)c2cnn[nH]2)C1 1040265956 UVIRAKYNBMQMEH-OAHLLOKOSA-N 319.365 -0.309 30 20 DBED C=CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)c2ccccn2)C1 1041165190 CTCWYKPDLLCKFK-GFCCVEGCSA-N 319.361 -0.024 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(O)(CNC(=O)c2cnccn2)C1 1041257568 FQBNVGWRZJRLDC-AWEZNQCLSA-N 320.349 -0.893 30 20 DBED C[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1NC(=O)c1nccnc1N 1041805226 NBNZNLZBOHSXGN-NXEZZACHSA-N 324.348 -0.025 30 20 DBED CN(C(=O)c1ccc(C#N)[nH]1)C1CN(Cc2nnnn2C)C1 1042625380 HJLQIESYJRYNHK-UHFFFAOYSA-N 300.326 -0.634 30 20 DBED CC[C@H](NC(C)=O)C(=O)N1CC(O)(CNC(=O)C#CC(C)C)C1 1042941223 LHVNEZKJHJIGAH-ZDUSSCGKSA-N 323.393 -0.750 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)C2CCCC2)C1 1043039735 IPZPZSDTMWNDFN-LBPRGKRZSA-N 308.378 -0.096 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)Cn2ccnc2C)C1 1043131018 ZGRLOQPDJNPBIT-UHFFFAOYSA-N 318.377 -0.315 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1 1043249808 QXJDCUVBUHCUNL-VXGBXAGGSA-N 323.393 -0.443 30 20 DBED C=C(C)CCC(=O)NCC1(O)CN(C(=O)[C@H]2CCC(=O)N2)C1 1043311103 KISFHJINCYBJFV-LLVKDONJSA-N 309.366 -0.689 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)[C@H]2C[C@H]3C=C[C@H]2O3)C1 1043616269 FTAGKMWOJMWJLQ-HZSPNIEDSA-N 318.373 -0.177 30 20 DBED CN1CCC[C@H]1C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1043874354 HYHFKBXFDVWASR-WOPDTQHZSA-N 316.365 -0.892 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)CC[C@@H]2CCCO2)C1 1045540185 DUIGNYKNNONMNO-RYUDHWBXSA-N 309.366 -0.205 30 20 DBED C#CCN1CC[C@@H](N2CCN(C(=O)c3cncnc3O)CC2)C1 1046039176 NNMDVJAPTFRRCK-CYBMUJFWSA-N 315.377 -0.353 30 20 DBED CC#CCN1CC[C@](C)(NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 1046667474 VZJCHHVUJOCRBM-INIZCTEOSA-N 318.377 -0.699 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2ccco2)C1 1048049762 FATPHWWHHQGCLB-AVGNSLFASA-N 320.345 -0.038 30 20 DBED C=CCOCC(=O)N(C)[C@H]1CN(C(=O)Cc2cnoc2)C[C@@H]1O 1048557619 FRVAQGLONLUHQP-STQMWFEESA-N 323.349 -0.550 30 20 DBED CN(C(=O)C#CC1CC1)[C@H]1CN(C(=O)[C@H]2CCCO2)C[C@@H]1O 1048821097 GWLXKVVEWFIHEV-MELADBBJSA-N 306.362 -0.391 30 20 DBED COCCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)C#N)C1 1049388679 OLURQBWPPVUVNT-AGIUHOORSA-N 311.382 -0.007 30 20 DBED CN1CC(=O)N(CC(=O)N2CCC[C@@H]3[C@H]2CCN3CC#N)C1=O 1049887774 WVYXFKVFGHBKMZ-VXGBXAGGSA-N 319.365 -0.531 30 20 DBED C=CCOCC(=O)N1C[C@@H](C)[C@H](CNC(=O)c2cnn[nH]2)C1 1052215687 RHJBSJZEMQGMIS-GHMZBOCLSA-N 307.354 -0.168 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1C 1053170434 DBMQMSCIAQZVFS-VXGBXAGGSA-N 318.381 -0.306 30 20 DBED Cc1nnc(CN2CC3(C2)CN(C(=O)[C@@H](C)C#N)CCO3)o1 1053191508 QRNPNYAAYWEYDO-JTQLQIEISA-N 305.338 -0.049 30 20 DBED N#CCN1CC2(CC[C@H](CNC(=O)[C@H]3CCNC(=O)C3)O2)C1 1053590127 ADZPKKMRRBBCTN-NWDGAFQWSA-N 306.366 -0.614 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)[C@@H]3CC(=O)N(C)C3)CO2)C1 1053822943 ZHJZSKHJKJIGJY-OLZOCXBDSA-N 305.378 -0.553 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)[C@@H]3CCC(=O)N3C)CO2)C1 1053897586 STIPWVASLYILIH-STQMWFEESA-N 305.378 -0.410 30 20 DBED C=CCN1CC2(C[C@@H](NC(=O)C[C@H]3CC(=O)NC3=O)CO2)C1 1054025660 FAJFYAOPQVHXEF-WDEREUQCSA-N 307.350 -0.815 30 20 DBED C=CCOCC(=O)NC1CCN(CCNC(=O)COC)CC1 1055495493 WPFDRLHXJKNASP-UHFFFAOYSA-N 313.398 -0.468 30 20 DBED CN(c1cncc(C#N)n1)[C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 1057013137 XVRWUCRRMAAHSC-QWRGUYRKSA-N 315.337 -0.933 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)[C@@H](C)NC(=O)CC 1057174113 RCUAYOBVCVXKMX-GFCCVEGCSA-N 313.398 -0.196 30 20 DBED N#Cc1nccc(N2CC[C@@H](NC(=O)[C@H]3CCCC(=O)N3)C2)n1 1058472839 IYPKNKSIWKHUCV-GHMZBOCLSA-N 314.349 -0.288 30 20 DBED N#Cc1nccc(N2CC[C@@H](NC(=O)[C@H]3CCC(=O)NC3)C2)n1 1058594054 HFHZKLDBIMNRHE-WDEREUQCSA-N 314.349 -0.431 30 20 DBED C=C[C@](C)(CC)C(=O)NCCN(CCO)C(=O)Cc1nc[nH]n1 1058890876 NNMDPBPAUVPZAM-OAHLLOKOSA-N 323.397 -0.113 30 20 DBED N#Cc1ccc(N[C@H]2C[C@H](NC(=O)[C@@H]3CC[C@@H]3C(N)=O)C2)nn1 1059368309 NRPBXUBMGMWYGJ-FIQHERPVSA-N 314.349 -0.081 30 20 DBED CC(C)C#CC(=O)N1CC[C@H](CCNC(=O)Cn2ncnn2)C1 1059610889 MRNBBNOEOAUYTQ-ZDUSSCGKSA-N 318.381 -0.313 30 20 DBED N#Cc1cc(C(=O)N[C@H]2CC[C@H](CNC(=O)C(N)=O)CC2)c[nH]1 1060713720 XGOPVVXILFFTHH-HOMQSWHASA-N 317.349 -0.224 30 20 DBED C=CCCC(=O)NC[C@@H]1COCCN1C(=O)C1(NC(N)=O)CC1 1061407637 RDPYUVXANVGXMK-LLVKDONJSA-N 324.381 -0.503 30 20 DBED C=C(C)CCC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1CNC(=O)N1 1061630690 AYXQYWOXBNMZCR-NEPJUHHUSA-N 324.381 -0.632 30 20 DBED C[C@H](C#N)C(=O)N1CCCC[C@@H]1CNC(=O)Cn1cnnn1 1062333940 HVUXEJSIGWNFLU-GHMZBOCLSA-N 305.342 -0.670 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(NC(=O)[C@H]2CCNC2=O)CCC1 1063046215 JSYVAYOIAKDTBC-NEPJUHHUSA-N 321.377 -0.684 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H]1CCCN1C(=O)[C@@H]1CNC(=O)N1 1063552450 IDPRWURKJJCRIL-YPMHNXCESA-N 314.349 -0.541 30 20 DBED Cc1ncc(C(=O)N2CCO[C@@H](CNC(=O)[C@H](C)C#N)C2)[nH]1 1064978639 WRLYDPCTABLHGE-KOLCDFICSA-N 305.338 -0.165 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)CC(C)(C)O)CCO1 1065101454 PYZUSYHZYLQMNJ-GFCCVEGCSA-N 314.382 -0.306 30 20 DBED Cc1nnc(CC(=O)NC[C@H]2CN(C(=O)[C@@H](C)C#N)CCO2)o1 1065556928 LLHFBPMOWACMAF-ONGXEEELSA-N 321.337 -0.576 30 20 DBED Cc1cnn(CC(=O)NC[C@@H]2CN(C(=O)[C@H](C)C#N)CCO2)c1 1065557787 VGXBDZFZOJMCGJ-CHWSQXEVSA-N 319.365 -0.305 30 20 DBED N#Cc1nccnc1N1C[C@H]2CN(C(=O)Cc3nc[nH]n3)C[C@H]2C1 1066028055 DEUSSZIQJXBRLA-PHIMTYICSA-N 324.348 -0.396 30 20 DBED NC(=O)NCCC(=O)N[C@@H]1CCCN(C(=O)C#CC2CC2)CC1 1066162680 XWTCELSKOGJQLC-CYBMUJFWSA-N 320.393 -0.045 30 20 DBED C[C@@H]1CN(C(=O)c2nccnc2N)C[C@@H]1N=c1cc[nH]c(C#N)n1 1067057749 NMXBAWPKHDFQBL-ZJUUUORDSA-N 324.348 -0.285 30 20 DBED C=CCOCC(=O)N[C@H]1COC2(C1)CN(C(=O)[C@@H](C)OC)C2 1068764306 NUNUEWYOCNVESE-VXGBXAGGSA-N 312.366 -0.290 30 20 DBED C#CCCCCC(=O)N1CC2(C[C@H](NC(=O)C(N)=O)CO2)C1 1068994867 RBLQCWDZUJAFDZ-NSHDSACASA-N 307.350 -0.849 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1COC2(C1)CN(C(=O)c1cocn1)C2 1069002107 CCYYYMPXNHDNRI-NXEZZACHSA-N 304.306 -0.066 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1COC2(C1)CN(C(=O)c1ccnn1C)C2 1069002296 DGCDQHOZLXECPM-MNOVXSKESA-N 317.349 -0.321 30 20 DBED C[C@H]1C[C@@H](Nc2cncc(C#N)n2)CN1C(=O)Cn1ncnn1 1069153469 ZWBLYWYDEPKUHU-VHSXEESVSA-N 313.325 -0.564 30 20 DBED N#Cc1ccc(C(=O)N2C[C@H]3C[C@@H]4CN(CCO)C[C@]3(C2)O4)[nH]1 1070787016 UCSHDAXOGLVTOF-AXAPSJFSSA-N 316.361 -0.206 30 20 DBED C#CCCN1C[C@H]2C[C@H]3CN(C(=O)[C@H]4C[C@H]4C(N)=O)C[C@@]3(C1)O2 1070855090 CFHQOFWEHYYVSC-GMIGGYDBSA-N 317.389 -0.567 30 20 DBED CC1(C(=O)N2CCC(=O)NCCN(CC#N)CC2)CCOCC1 1071008076 GXSOCHRLHRYBLU-UHFFFAOYSA-N 322.409 -0.023 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CCCN(C(=O)Cn2cncn2)C1 1071372403 JCHOVHMDLXPDAN-QWHCGFSZSA-N 319.365 -0.576 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)CC(=O)NCC)C[C@H]1C 1071938782 HSLAPFUDHZUKBY-VXGBXAGGSA-N 311.382 -0.322 30 20 DBED C[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1NC(=O)CCn1cnnn1 1072040443 YKGPKIRIZYRZAA-AAEUAGOBSA-N 316.365 -0.560 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(C(=O)CNC(N)=O)C[C@H]1C 1073817126 JZRXPWAMNHQRGB-MNOVXSKESA-N 312.370 -0.790 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(C(=O)Cn2cnnn2)[C@H](C)C1 1074891792 LAUCUYFRLVYKFE-VXGBXAGGSA-N 322.369 -0.629 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3cncn3)cc2)C1 1077171747 RNZAHLDLYWBSJE-ZIAGYGMSSA-N 312.333 -0.434 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)Cc2ccccc2C(N)=O)C1 1077496171 JPDZQGSWCILVPR-HUUCEWRRSA-N 315.373 -0.487 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2cc3c(nc2O)CCC3)C1 1078181133 KEOZLHHXDRCJPU-ZIAGYGMSSA-N 301.346 -0.316 30 20 DBED C=CCOCC(=O)N(CC)C1CN(C(=O)[C@H]2CCN(C)C2=O)C1 1079493730 DWUFFXXUWJAALS-ZDUSSCGKSA-N 323.393 -0.273 30 20 DBED C#CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)CCCC(N)=O)C1 1079778060 OSFHJRNIZOSAET-GFCCVEGCSA-N 323.393 -0.260 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(N(CC)C(=O)c2cnn[nH]2)C1 1080066238 YNOMYBOPHZKRBD-SNVBAGLBSA-N 305.338 -0.484 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(N(CC)C(=O)Cn2cncn2)C1 1080585253 MCPMXUMWILWVFX-GFCCVEGCSA-N 319.365 -0.624 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CO)(NC(=O)Cc2cc[nH]n2)CC1 1080789807 SZGKRNUTVASZJU-LLVKDONJSA-N 319.365 -0.418 30 20 DBED C=C1CC(C)(C(=O)N2C[C@@H](O)[C@H](CNC(=O)CNC(C)=O)C2)C1 1081206943 DQFPIPVQBGYIMI-CHWSQXEVSA-N 323.393 -0.586 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)Cc2nc[nH]n2)C[C@H]1O 1081335691 NYVSXWIAYWQXJH-GHMZBOCLSA-N 307.354 -0.751 30 20 DBED CC(C)N(C)CC(=O)NC[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1081550358 HOSXERBAGWZGKN-LSDHHAIUSA-N 321.421 -0.325 30 20 DBED CO[C@@H]1CN(Cc2cnon2)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 1081563565 UYUNYYHTBOUREQ-CHWSQXEVSA-N 316.321 -0.101 30 20 DBED C=CC(C)(C)C(=O)NC[C@H]1CN(C(=O)Cn2cncn2)C[C@@H]1O 1081645594 PUBNZXFQJDBRFV-RYUDHWBXSA-N 321.381 -0.574 30 20 DBED C[C@H](C#N)C(=O)N1CCCC[C@H]1CNC(=O)C1(C(N)=O)CC1 1082267291 LYKAFEOCUHFZJB-MNOVXSKESA-N 306.366 -0.091 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CCNC(=O)C1 1083048469 WDOKWQUQNNXBFT-MELADBBJSA-N 305.378 -0.553 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2cc3cc[nH]c(=O)c3s2)C1 1083586732 KAEVLPKMYYKBMN-ZJUUUORDSA-N 318.358 -0.112 30 20 DBED CN(C[C@@H]1CCN1CC#N)C(=O)c1cn(C[C@@H]2CCOC2)nn1 1085897275 ZZPYEQRWBBBRER-STQMWFEESA-N 318.381 -0.016 30 20 DBED C[C@@H](C[C@H](C)Nc1nccnc1C#N)NC(=O)CNC(N)=O 1089213923 DSOISBTWRACJPH-IUCAKERBSA-N 305.342 -0.288 30 20 DBED COCCOCC(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1C 1090687781 MPYJVMMERZDHNY-DGCLKSJQSA-N 319.365 -0.048 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1OC 1090869317 NHKBZBMDVVSPNG-CHWSQXEVSA-N 317.349 -0.129 30 20 DBED C[C@@H]1[C@@H](NC(=O)CS(C)(=O)=O)CCN1c1cncc(C#N)n1 1091935292 COVCRNYGRCAOME-KOLCDFICSA-N 323.378 -0.524 30 20 DBED C#CCCN1C[C@@H]2CN(C(=O)C3CC(=O)NC(=O)C3)C[C@]2(C)C1 1092097215 MXYCTSDIWOXOST-DYVFJYSZSA-N 317.389 -0.157 30 20 DBED C=C(C)CCN1CC2(C[C@H](NC(=O)C(N)=O)c3nccn32)C1 1092391854 BMKDPIZLAJZLLZ-NSHDSACASA-N 303.366 -0.094 30 20 DBED N#Cc1nccc(N2C[C@H]3[C@H](NC(=O)CCCC(N)=O)[C@H]3C2)n1 1093278255 LAUANIOJOGSTSL-RTUWITSCSA-N 314.349 -0.445 30 20 DBED CN(C)C(=O)CC(=O)NC1[C@H]2CN(c3ccncc3C#N)C[C@H]12 1093354939 CPVWAOVGACGHAW-RYUDHWBXSA-N 313.361 -0.018 30 20 DBED Cc1cc(=NCCNC(=O)[C@H]2CCS(=O)(=O)C2)c(C#N)c[nH]1 1093978945 SPMYVAUXPBRYNF-NSHDSACASA-N 322.390 -0.354 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)c3nccnc3N)CC2=O)C1 1094715090 HIPJCBRVLVKRND-JTQLQIEISA-N 316.365 -0.740 30 20 DBED CC#CCN1CC(N2C[C@H](NC(=O)c3cn(C)cn3)CC2=O)C1 1094721738 JPHXISSDWDCEFA-GFCCVEGCSA-N 315.377 -0.542 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)c3ccc(C#C)nc3)CC2=O)C1 1094806635 VSNVFBDJXXBUMP-HNNXBMFYSA-N 322.368 -0.289 30 20 DBED Cc1nn(CC(=O)N2C[C@H]3C[C@@H](NCC#N)C[C@H]2C3)c(=O)n1C 1095047842 RVDWXMQMLKJOQQ-YNEHKIRRSA-N 318.381 -0.617 30 20 DBED CCC(=O)NCC(=O)N1CC[C@@H](N(C)c2cnc(C#N)cn2)C1 1095100572 XJQSXXGLWAYFEC-GFCCVEGCSA-N 316.365 -0.088 30 20 DBED CCNC(=O)CC(=O)N1CCC[C@H](N=c2cc[nH]c(C#N)n2)C1 1095292197 CFGVZOVDHDQEJM-NSHDSACASA-N 316.365 -0.301 30 20 DBED CN(CCCNC(=O)[C@H]1COCCO1)c1ccc(C#N)nn1 1095489881 LWHCXWPVHRGDFY-GFCCVEGCSA-N 305.338 -0.294 30 20 DBED CN(CCCNC(=O)[C@@H]1CCNC(=O)C1)c1cncc(C#N)n1 1095515949 GJOGEHGTCRVQTM-LLVKDONJSA-N 316.365 -0.183 30 20 DBED CCN(CCCNC(=O)[C@@H]1CCNC1=O)c1ccc(C#N)nn1 1095942592 JDTBBUMOHMXCFM-LBPRGKRZSA-N 316.365 -0.183 30 20 DBED CCN(CCCNC(=O)[C@H]1CCNC1=O)c1nccnc1C#N 1095942747 OFLJRQGMCKDBFC-LLVKDONJSA-N 316.365 -0.183 30 20 DBED CS(=O)(=O)CC(=O)N[C@H]1CCN(c2ccc(C#N)nc2)C1 1096342277 FUQUFKVISWNIBU-NSHDSACASA-N 308.363 -0.307 30 20 DBED N#Cc1ccc(N2CC[C@H](NC(=O)CCn3cnnn3)C2)cn1 1096414972 IFDIFMFAPKFVET-LBPRGKRZSA-N 312.337 -0.275 30 20 DBED C[C@H](CC(N)=O)C(=O)N[C@@H]1CCN(c2ccc(C#N)nn2)C1 1096458259 QQPVXGJXAFLGHP-MWLCHTKSSA-N 302.338 -0.445 30 20 DBED C[C@@H](CNC(=O)C1CC(=O)NC(=O)C1)Nc1ncccc1C#N 1097936257 DMIKGGYHEPWYMK-VIFPVBQESA-N 315.333 -0.077 30 20 DBED C#CCN(CCO)C1CCN(C(=O)C(=O)N2CC[C@@H](C)C2)CC1 1098528690 LTESJYYSALGTGW-CQSZACIVSA-N 321.421 -0.227 30 20 DBED CC(=O)N[C@@H](C)C(=O)N1CC[C@@H](n2cc(CNCC#N)nn2)C1 1098607963 JQJQVPGZUIUQOS-GXFFZTMASA-N 319.369 -0.811 30 20 DBED C#CCNCc1cn([C@H]2CCN(C(=O)CNC(=O)OC)C2)nn1 1098625963 KBCOYMVIIFMDLL-LBPRGKRZSA-N 320.353 -0.870 30 20 DBED CC[C@H](NC(C)=O)C(=O)NCC[C@H](C)N=c1cc[nH]c(C#N)n1 1099708774 VUYNAEJLTJBULI-JQWIXIFHSA-N 318.381 -0.008 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)c2cnn(C)c2N)[C@H](O)C1 1099783837 XNULOACPCQSUPL-CHWSQXEVSA-N 323.397 -0.630 30 20 DBED C=CCCCN1CC[C@H](NC(=O)Cn2cnnc2O)[C@H](O)C1 1099789387 NACUROYLEDPDKS-NWDGAFQWSA-N 309.370 -0.499 30 20 DBED C=CCCCN1CC[C@H](NC(=O)C2CN(C(C)=O)C2)[C@@H](O)C1 1099794573 OSFGDZNNPCTNDG-GJZGRUSLSA-N 309.410 -0.018 30 20 DBED Cn1ccnc1CN1CC[C@H](NC(=O)C#CC2CC2)[C@H](O)C1 1099813988 XRYXAIMIIWHQMK-UONOGXRCSA-N 302.378 -0.115 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCN(CCOCC=C)C[C@H]1O 1099835672 NAADXXRBTKBADE-HUUCEWRRSA-N 310.394 -0.220 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)c2cc[nH]c2)[C@@H](O)C1 1099842791 WXSGMRDFBCHWAF-OLZOCXBDSA-N 306.366 -0.518 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CCNC(=O)C2CCC2)[C@H](O)C1 1100031818 KUIGEFQXKBXYTP-HUUCEWRRSA-N 321.421 -0.133 30 20 DBED C=CCN1CC[C@@H](NC(=O)COCc2ncnn2C)[C@H](O)C1 1100057571 HLGJARKPYQWTPW-VXGBXAGGSA-N 309.370 -0.931 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)CCC2(C)CC2)[C@@H](O)C1 1100060857 ZEGSDUVDRCHNGS-KBPBESRZSA-N 321.421 -0.133 30 20 DBED CC#CCN1CC[C@H](NC(=O)CCCC(=O)N(C)C)[C@@H](O)C1 1100078100 DAHDAIYUHYQHFC-KBPBESRZSA-N 309.410 -0.180 30 20 DBED CN(CCNC(=O)CNC(=O)C1CCC1)c1cnc(C#N)cn1 1100154387 HTRIGBIQMWALKT-UHFFFAOYSA-N 316.365 -0.183 30 20 DBED CO[C@@H](C(=O)NCCN(C)c1cnc(C#N)cn1)[C@@H]1CCOC1 1100251044 ZFLFWFZOLPWWIN-BXUZGUMPSA-N 319.365 -0.048 30 20 DBED C=CCNC(=O)[C@@H](C)NC1CC(CNC(=O)CC(=O)NC)C1 1100273804 JMYXAFNMOKLVMR-VOMCLLRMSA-N 310.398 -0.702 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCCN(C)c1ccc2nnnn2n1 1100334801 UTTAHKUKPYMEOB-MNOVXSKESA-N 317.353 -0.337 30 20 DBED CN(CCNC(=O)c1ccc(=O)n(C)c1)c1cncc(C#N)n1 1100402157 VJYRTAGLFJVYML-UHFFFAOYSA-N 312.333 -0.087 30 20 DBED CCN(CCNC(=O)[C@H]1CCC(=O)N1C)c1nccnc1C#N 1100690337 YGYVNLYTRQVUMG-GFCCVEGCSA-N 316.365 -0.088 30 20 DBED C#CCNC(=O)[C@H](C)NC1CC(CNC(=O)Cc2cnc[nH]2)C1 1100710574 XSUIAJUQNFZDNZ-HIFPTAJRSA-N 317.393 -0.426 30 20 DBED Cc1cnoc1C(=O)NCC1CC(NCC(=O)NCC#N)C1 1100821021 LAKIZBRZWGSLKU-UHFFFAOYSA-N 305.338 -0.279 30 20 DBED CCN1CCOC[C@H]1C(=O)N(C)CCNc1cncc(C#N)n1 1101844902 WKIFLXOOTWENLK-ZDUSSCGKSA-N 318.381 -0.061 30 20 DBED C[C@@H](CN=c1cc[nH]cc1C#N)CNC(=O)CCS(C)(=O)=O 1104255705 GURTVPRNYGRVBM-NSHDSACASA-N 324.406 -0.026 30 20 DBED COC[C@H](OC)C(=O)N(C)[C@H](C)CN=c1cc[nH]c(C#N)n1 1104802072 FLZRNSXAHMVCSQ-MNOVXSKESA-N 307.354 -0.310 30 20 DBED C#CCCNCc1cn(C2CN(C(=O)c3cnccn3)C2)nn1 1105142138 HAJFGLFHHOHQRY-UHFFFAOYSA-N 311.349 -0.122 30 20 DBED CC(C)[C@H](CNC(=O)CCNC(N)=O)N=c1cc[nH]c(C#N)n1 1105182510 LIOFPYODGJOKFK-JTQLQIEISA-N 319.369 -0.619 30 20 DBED CC[C@H](NCc1cn(C2CN(C(=O)[C@@H](C)C#N)C2)nn1)C(N)=O 1105190374 VHWPANRMQMWUJH-CABZTGNLSA-N 319.369 -0.825 30 20 DBED Cc1nc(N(C)CCN(C)C(=O)Cn2cnnn2)ccc1C#N 1105344599 MTSFIDXNLQPHNM-UHFFFAOYSA-N 314.353 -0.157 30 20 DBED COCCOCC(=O)N(C)CCN(C)c1nccnc1C#N 1105346898 NMROKJBJQMHOFJ-UHFFFAOYSA-N 307.354 -0.094 30 20 DBED Cc1cc(=NC[C@@H](O)CNC(=O)C[C@@H]2CCOC2)c(C#N)c[nH]1 1105759886 RHLCTIOBMCYCHC-GXTWGEPZSA-N 318.377 -0.001 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)[C@H]2CCNC(=O)C2)cn1 1105791277 SZFVIRIOQKVRQN-GWCFXTLKSA-N 317.349 -0.632 30 20 DBED N#Cc1cccnc1NC[C@H](O)CNC(=O)Cc1cncnc1 1105806268 SYSMEKBPQLKLGM-CYBMUJFWSA-N 312.333 -0.125 30 20 DBED O=C(C#CC1CC1)NC[C@@H](O)CNc1nc[nH]c2ncnc1-2 1105825415 FEMHHFLEAZXLSI-SNVBAGLBSA-N 300.322 -0.393 30 20 DBED COCC[C@H](C)C(=O)NC[C@@H](O)CN=c1cc[nH]cc1C#N 1105859517 BZNKGUGPEXKSJB-AAEUAGOBSA-N 306.366 -0.063 30 20 DBED CCO[C@H](C(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1)C(C)C 1105970723 MIQNYCWUVYPISQ-FZMZJTMJSA-N 321.381 -0.280 30 20 DBED C[C@@H](CCNc1ccc(C#N)nn1)NC(=O)Cn1cncn1 1106333359 KQXQGKLUVYPEEF-JTQLQIEISA-N 300.326 -0.053 30 20 DBED C[C@@H](CCNc1ccc(C#N)nn1)NC(=O)[C@H]1CNC(=O)N1 1106543005 MWMYPKBPAQYOTR-WCBMZHEXSA-N 303.326 -0.664 30 20 DBED Cc1cc(=NC/C=C\CNC(=O)CS(C)(=O)=O)c(C#N)c[nH]1 1107104627 BJVCAPZLSPCLOS-ARJAWSKDSA-N 322.390 -0.188 30 20 DBED CC#CCN1CC(n2cc(CNC(=O)[C@]3(F)CCOC3)nn2)C1 1107199063 DLGWUCLRKMJEPL-HNNXBMFYSA-N 321.356 -0.097 30 20 DBED C=CCO[C@H](C)C(=O)NCc1cn(C2CN(C[C@@H](C)O)C2)nn1 1107240736 GZNMAONYKLHMAJ-VXGBXAGGSA-N 323.397 -0.277 30 20 DBED CN1CC[C@H](C(=O)NC/C=C\CN=c2cc[nH]cc2C#N)C1=O 1107460496 VFTXKVLDOXCQMV-XQJDBVBESA-N 313.361 -0.062 30 20 DBED CC#CCN1CCO[C@@](C)(CNC(=O)CCc2nc[nH]n2)C1 1107854149 AXBSLUWUHFNHSL-HNNXBMFYSA-N 305.382 -0.032 30 20 DBED C[C@@H](CNc1ccc(C#N)nn1)NC(=O)[C@@H]1CCC(=O)N1C 1108642450 SYTLRKKTIIYJEY-ONGXEEELSA-N 302.338 -0.114 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C[C@H]1CCOC1 1109099144 MRJCDYAXFOOERG-KBXIAJHMSA-N 319.405 -0.116 30 20 DBED C=CCOCC(=O)N[C@@H]1[C@H]2C[C@H]1N(c1ccc3nnnn3n1)C2 1109702307 BRYDRYVURMULJJ-IMSIIYSGSA-N 315.337 -0.585 30 20 DBED C#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NC(N)=O 1110493109 DCXPKVRMWGKBEF-UTUOFQBUSA-N 306.366 -0.294 30 20 DBED CN(C)C(=O)CC(=O)N[C@]1(C)CCN(c2ccnc(C#N)n2)C1 1110817714 JGWALOGHEBUKFA-OAHLLOKOSA-N 316.365 -0.088 30 20 DBED N#Cc1cncc(N2CC[C@](O)(CNC(=O)[C@@H]3CCCO3)C2)n1 1111032213 VJDZFDJMKHWSFO-WFASDCNBSA-N 317.349 -0.415 30 20 DBED CNC(=O)CC(=O)N(CCO)CCNc1nc(C)cc(C#N)n1 1111458438 ZMJRGXQCTCWTKG-UHFFFAOYSA-N 320.353 -0.974 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H]1COCCN1c1nccnc1F 1111700192 KKXODTCVDJFUPW-NWDGAFQWSA-N 322.340 -0.025 30 20 DBED C[C@@H]1C[C@@H](NC(=O)CNC(N)=O)CCN1c1cncc(C#N)n1 1112457012 GRWSYGGACAQFCZ-ZJUUUORDSA-N 317.353 -0.510 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H](C)N(C)c1nccnc1F 1113567223 MRHUYYDXBLFUJS-JTQLQIEISA-N 307.329 -0.304 30 20 DBED C[C@H](CNC(=O)C(C)(C)C(N)=O)N(C)c1cnc(C#N)cn1 1113740890 AWLORMVDRXVTES-SECBINFHSA-N 304.354 -0.199 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)C3CC3)[C@H]2C1 1113765898 YUBVOODUEVEUBI-DLOVCJGASA-N 320.393 -0.157 30 20 DBED COC[C@H](OC)C(=O)NC[C@H](C)N(C)c1cncc(C#N)n1 1113856696 CUAVWNUOAQGNBY-JQWIXIFHSA-N 307.354 -0.049 30 20 DBED C=CCOCCN1C[C@H]2C(NC(=O)CCc3nc[nH]n3)[C@@H]2C1 1114120025 IFWPNJDSHURMTK-VXGBXAGGSA-N 305.382 -0.014 30 20 DBED COC(=O)CN(CC#N)C(=O)c1cn(Cc2ccccn2)nn1 1116135404 HGUZSTKDKNHPRM-UHFFFAOYSA-N 314.305 -0.140 30 20 DBED COc1ccc(CNC(=O)C(=O)N2CCO[C@H](C#N)C2)nc1 1117362827 FSUWNNCKBUHWMC-GFCCVEGCSA-N 304.306 -0.543 30 20 DBED C=CCN(C(=O)c1ccc(C(N)=O)[nH]1)[C@H]1CCS(=O)(=O)C1 1118798296 BKLVEMTWEGIVFC-VIFPVBQESA-N 311.363 -0.071 30 20 DBED Cn1nccc1C(=O)NC[C@@H](CO)N=c1cc[nH]cc1C#N 1121177079 DYKCEHWBVLQFRP-NSHDSACASA-N 300.322 -0.689 30 20 DBED CCc1nc[nH]c1C(=O)NC[C@H](CO)Nc1cnc(C#N)cn1 1121875275 OAPFZPVTTGXQOC-SNVBAGLBSA-N 315.337 -0.163 30 20 DBED CCCN(C)CC(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1 1121887012 CFZKGZAVOJWKMF-NSHDSACASA-N 306.370 -0.999 30 20 DBED COCCCOCC(=O)NC[C@H](CO)Nc1ccc(C#N)cn1 1122052486 KYGAJTGRLDPFAK-CYBMUJFWSA-N 322.365 -0.105 30 20 DBED Cc1ccnn1CC(=O)NC[C@H](CO)Nc1nccnc1C#N 1122689152 YMYSWQMIAUWYLZ-LLVKDONJSA-N 315.337 -0.558 30 20 DBED C=C[C@@](C)(O)CC(=O)N(C)C[C@@H](O)CNc1nccnc1C#N 1124267781 YVJAWFDRUFUVMB-XHDPSFHLSA-N 319.365 -0.093 30 20 DBED C[C@H](C#N)C(=O)N(C)C[C@@H](O)CN(C)c1cnc(C#N)cn1 1124987702 CEJRBXPFWVIZJM-PWSUYJOCSA-N 302.338 -0.237 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)CCc1nc[nH]n1 1125419744 RFDFGTBFBOYLMI-UHFFFAOYSA-N 320.397 -0.356 30 20 DBED C[C@@H](NC(=O)C(N)=O)C1CCN(c2ccnc(C#N)n2)CC1 1126675943 NUQKTHVFSATVOD-SECBINFHSA-N 302.338 -0.445 30 20 DBED C=CCN1CCn2ncc(CNC(=O)Cn3cnnc3O)c2C1 1128322261 YFCKEAMQUCDSND-UHFFFAOYSA-N 317.353 -0.502 30 20 DBED C#CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)CC(C)(C)O)C1 1128948927 GVUCDKAKPFARKO-OLZOCXBDSA-N 305.382 -0.196 30 20 DBED COCCN1C[C@H](n2ccnn2)[C@H](NC(=O)C#CC2CC2)C1 1128984937 DOWKAAARSLNYJN-KGLIPLIRSA-N 303.366 -0.321 30 20 DBED C=C[C@](C)(CC)C(=O)N[C@@H]1CN(CC(N)=O)C[C@@H]1n1ccnn1 1129239161 RAJUHZPTEZKITD-TYNCELHUSA-N 320.397 -0.293 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1cnn2ncccc12 1129607499 XZRSPMRQGDMXGX-NSHDSACASA-N 314.349 -0.813 30 20 DBED C#CCN1CC[C@H](c2n[nH]cc2CNC(=O)CNC(=O)CC)C1 1130361004 DJTBZBYLQAVCTE-LBPRGKRZSA-N 317.393 -0.025 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H]2C[C@H]3CN(C(=O)CC)C[C@@]3(C1)O2 1131170418 ABMNIEGTFCWROG-UMPJEAMMSA-N 319.405 -0.164 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)[C@H](C)CC(N)=O)C[C@@]3(C1)O2 1131251794 CRNUPLCYQOVMNP-BRXULGCHSA-N 305.378 -0.567 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)c2ncn(C)n2)CC[C@@H]1C 1132002973 OYBOXFITTSNJOD-RYUDHWBXSA-N 320.397 -0.300 30 20 DBED Cc1cn2ccc(C(=O)NCCNCC(=O)NCC#N)cc2n1 1133812636 CWDKXPYOJZOHSQ-UHFFFAOYSA-N 314.349 -0.398 30 20 DBED C[C@H](C[C@@H](C)NC(=O)C1(CN(C)C)CC1)NCC(=O)NCC#N 1135298943 RUQCMSQOFGGJNK-CHWSQXEVSA-N 323.441 -0.159 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)Cn1ncn2nccc2c1=O)NCC#N 1135614160 NMMMUABNAJUSCP-WDEREUQCSA-N 317.353 -0.713 30 20 DBED CNC(=O)NCCC(=O)N1CC2(CCN(CC#CCOC)C2)C1 1147491337 VWQNUAFVLIRVFZ-UHFFFAOYSA-N 322.409 -0.510 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)[C@@H](OC)c2cnn(C)c2)C1 1150036675 QMHPOLLFYSPOFX-GJZGRUSLSA-N 320.393 -0.052 30 20 DBED CC#CCN1CCCO[C@@H](CNC(=O)CCn2cnnn2)C1 1150499051 SKBAWYNVEKRZNR-ZDUSSCGKSA-N 306.370 -0.706 30 20 DBED COCCC1(NC(=O)[C@H]2COC(=O)N2)CCN(CC#N)CC1 1151100566 UWTSVTVAAJSFFK-LLVKDONJSA-N 310.354 -0.394 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cc2c(nc1O)CCC2 1151140944 IYPOSQDZQKGIAB-UHFFFAOYSA-N 316.361 -0.655 30 20 DBED C=CCNC(=O)CN(CC)[C@H](C)CNC(=O)[C@H]1CCC(=O)N1 1152425897 FAZVYCJWOYOHMA-VXGBXAGGSA-N 310.398 -0.606 30 20 DBED C#CCN(CC)[C@H](C)CNC(=O)[C@@H](CCC)S(N)(=O)=O 1154468722 AVMXIQKIXWUGTJ-VXGBXAGGSA-N 303.428 -0.097 30 20 DBED CCNC(=O)NC(=O)CNCCCNC(=O)c1c[nH]c(C#N)c1 1156841702 PAZUGIGPAWQOKT-UHFFFAOYSA-N 320.353 -0.558 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)[C@H]1CCN(C)[C@@H]1CC 1158412086 LUFFGKNOOZMYCH-SOUVJXGZSA-N 322.453 -0.050 30 20 DBED CC(C)N1CCC[C@@H]1CC(=O)NCCCNCC(=O)NCC#N 1159901433 HIICFQUOWDDCRO-CQSZACIVSA-N 323.441 -0.015 30 20 DBED C=C(C)CN(CC)C(=O)CNCCCNC(=O)[C@@H]1CCNC1=O 1163943659 KLYQZPUDKKTPTD-ZDUSSCGKSA-N 324.425 -0.357 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)CCc2cnn[nH]2)C1=O 1166952940 CSDYHHCUEUJMFW-ZDUSSCGKSA-N 320.397 -0.380 30 20 DBED COCc1cc(C(=O)NCCCNCC(=O)NCC#N)no1 1167763799 TZXCKMFVFNEFDM-UHFFFAOYSA-N 309.326 -0.830 30 20 DBED CNC(=O)NC(=O)CNCCCC[C@@H](C)NC(=O)[C@@H](C)C#N 1169848065 MWAKGMSJVTZYMM-WDEREUQCSA-N 311.386 -0.134 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)CCCCNCC(=O)NC 1170310784 NBTDXSJEJLODDT-GFCCVEGCSA-N 310.398 -0.864 30 20 DBED C[C@H](CCCCNCC(=O)NCC#N)NC(=O)Cn1nccn1 1170998099 PBZDPSVNTIEXJS-GFCCVEGCSA-N 321.385 -0.818 30 20 DBED COCC#CCNCCCNC(=O)CNC(=O)c1ccco1 1175254800 ZZJOMSCMLRYFIY-UHFFFAOYSA-N 307.350 -0.245 30 20 DBED C#CCNC(=O)CNCCCCCCNC(=O)Cc1cc[nH]n1 1178096005 IYKWGVLDTPKCOG-UHFFFAOYSA-N 319.409 -0.032 30 20 DBED Cc1cnoc1C(=O)N1CC[C@H](NCC(=O)NCC#N)[C@@H]1C 1179840434 GKEYHHDQEMJWFN-QWRGUYRKSA-N 305.338 -0.185 30 20 DBED C#CCCN[C@H]1CCN(C(=O)CN2CCC(=O)NC2=O)[C@H]1C 1179867110 JRRNGVGTYMAAKD-RYUDHWBXSA-N 306.366 -0.469 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)CCN(C)CCC)C1 1187298973 UTFAJHSKIGQGIA-CQSZACIVSA-N 308.426 -0.342 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@H]1CCN(C(=O)c2cnsn2)C1 1189058826 JVLSUSZQYFUFLH-QWRGUYRKSA-N 321.406 -0.178 30 20 DBED N#CCSCC(=O)N[C@@H]1CN(Cc2csnn2)C[C@H]1O 1191161891 MNVIDCCQJGQTQM-NXEZZACHSA-N 313.408 -0.544 30 20 DBED CC#CCN(C)[C@H]1CCN(C(=O)C2CC3(C2)NC(=O)NC3=O)C1 1192795440 YZKSAYJDPZFNRV-BGMSHATGSA-N 318.377 -0.469 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)c2c[nH]c(=O)cn2)CC1 1196934667 GQDHXXBMHTXZBX-UHFFFAOYSA-N 319.365 -0.780 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)c2cc(C(N)=O)c[nH]2)C1 1197181237 HQZDSRBZYCIBRT-CHWSQXEVSA-N 322.365 -0.909 30 20 DBED C[C@H](NC(=O)C1CCCCC1)C(=O)N[C@@H]1CN(CC#N)C[C@H]1O 1198990571 RVHCFGHCAJFYQG-IACUBPJLSA-N 322.409 -0.244 30 20 DBED C[C@@H](C#N)C(=O)N1CCCO[C@@H](CNCCS(C)(=O)=O)C1 1200116277 VOIKXMLCZGPQMH-RYUDHWBXSA-N 317.411 -0.602 30 20 DBED C#CCNC(=O)CNC[C@H]1CN(C(=O)/C=C/C2CC2)CCCO1 1200189533 HCPODBBFCQZYAX-LFAOLKIESA-N 319.405 -0.091 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)C[C@@H]2CCC(=O)N2)CCCO1 1201621945 RGKDZTCZJJOSPN-UONOGXRCSA-N 307.394 -0.115 30 20 DBED CC#CCNC[C@H]1CN(C(=O)CS(=O)(=O)CC)CCCO1 1202163215 DHGXSTOLXKLVBF-ZDUSSCGKSA-N 316.423 -0.349 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)c2ccnc(C)n2)CC1 1203725804 PWUSBIQOMQBVGF-UHFFFAOYSA-N 315.377 -0.271 30 20 DBED C=CCNC(=O)NC(=O)CN[C@@H]1C[C@H]2CC[C@H]1N(C(C)=O)C2 1203885536 YRALSZNMAASFNM-JHJVBQTASA-N 308.382 -0.013 30 20 DBED CNC(=O)NC(=O)CNCC1CCN(C(=O)[C@H](C)C#N)CC1 1204799221 TXHRQLJWFLIWGD-SNVBAGLBSA-N 309.370 -0.570 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)c1ccccn1 1205723038 ADCZGZHXOVTLBZ-DGCLKSJQSA-N 301.350 -0.229 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)c2ncn(C)n2)[C@H](C)C1 1206932790 RMQDNHZVYWCJPJ-GRYCIOLGSA-N 320.397 -0.444 30 20 DBED C=CCN1C[C@@H](NC(=O)CNC(=O)Cn2cncn2)[C@H](C)C1 1211300001 GTZHKTYDDKEICP-VXGBXAGGSA-N 306.370 -0.983 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1C 1211425286 KDFARRKSUHVEEO-OUAUKWLOSA-N 312.370 -0.791 30 20 DBED C=CCN1CC[C@@H](N[C@@H]2CN(C(=O)CNC(C)=O)C[C@H]2C)C1=O 1214061332 QXJWJMUOJOXAIK-MRVWCRGKSA-N 322.409 -0.654 30 20 DBED C#CCCN[C@@H]1CN(C(=O)CCCn2c(O)nnc2O)C[C@H]1C 1215013103 XEAHQMLWXMEDNM-VXGBXAGGSA-N 321.381 -0.071 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)c2ccncn2)C[C@H]1C 1216006153 XHUSSHWUBAZEPZ-DGCLKSJQSA-N 303.366 -0.171 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)Cc2nc[nH]n2)C[C@H]1C 1216314991 VZBXIIQLSCXPFM-IJLUTSLNSA-N 320.397 -0.526 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CN(C)CCC)C[C@H]1C 1216515974 WHQLTGOMNRNUDM-RBSFLKMASA-N 322.453 -0.097 30 20 DBED CCn1c(C)nnc1CN1C[C@H](O)[C@H](NC(=O)C#CC(C)C)C1 1219581198 KEPKMAGIIZJJAF-KGLIPLIRSA-N 319.409 -0.073 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2ocnc2CC)C1 1220320932 NKWALZJZZSKHKZ-NEPJUHHUSA-N 322.365 -0.686 30 20 DBED C#CCN1CCC(CNC(=O)CN(C)S(C)(=O)=O)CC1 1223375258 ZERGFEFIMHRDBA-UHFFFAOYSA-N 301.412 -0.661 30 20 DBED COCC#CCN1CCC(CNC(=O)C(=O)NCC2CC2)CC1 1225019739 IIRSQVOGGYKZAE-UHFFFAOYSA-N 321.421 -0.009 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC(NC(=O)c2n[nH]cc2F)CC1 1229065910 XPFODWUPJYSMLS-SNVBAGLBSA-N 321.356 -0.119 30 20 DBED N#CCN[C@@H]1CCCC[C@H]1NC(=O)CCCN1C(=O)CNC1=O 1230101239 YHAYKSGWUKRMMW-VXGBXAGGSA-N 321.381 -0.141 30 20 DBED C=C(C)COCCNC(=O)C(=O)N1CCOC[C@@H]1C[C@H](C)O 1256792104 NLLWZGKHONIBEO-STQMWFEESA-N 314.382 -0.306 30 20 DBED Cc1cc(NC(=O)C(=O)NCC(F)(F)CO)nn1CCC#N 1320570745 VAQBNZUPIIIAIZ-UHFFFAOYSA-N 315.280 -0.213 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@@H](C)n2ccnc2)CC1 1325904476 RTANUPBDNBTNHT-CYBMUJFWSA-N 303.366 -0.662 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N[C@@H]1CCN(CC(F)F)C1 1327725169 GWKHPFTXAFMCAJ-NXEZZACHSA-N 305.325 -0.241 30 20 DBED C#CCN(C)C(=O)C(=O)N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1328574682 WHMYCMHIRZHKPZ-CYBMUJFWSA-N 320.393 -0.318 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)NCc1cnc(N(C)C)n1C 1328726863 BHTMJBKMENVULT-UHFFFAOYSA-N 315.377 -0.413 30 20 DBED C#CC[C@@H](NC(=O)C(=O)NC[C@H]1COCCN1)c1ccccc1 1328972155 IMYZWDKGWKYILX-LSDHHAIUSA-N 315.373 -0.028 30 20 DBED C#CCN1CCC[C@@H](NC(=O)N[C@@H](CO)c2cnn(C)c2)C1 1334060198 NKUGNTDWFMYIBA-KGLIPLIRSA-N 305.382 -0.150 30 20 DBED C#CCCCCNC(=O)C(=O)N1CCN(C(C)(C)C(N)=O)CC1 1342365631 UYXDHSCPWUWXGQ-UHFFFAOYSA-N 322.409 -0.686 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCC[C@@H]1CN1CCOCC1 1346543711 NUBQCHODNVHGQZ-CQSZACIVSA-N 323.393 -0.924 30 20 DBED C#CCSCCn1nnnc1N(CC)CCS(C)(=O)=O 1352339327 JPGHZTZCKRMXJM-UHFFFAOYSA-N 317.440 -0.090 30 20 DBED CC[C@H](C[C@H](C)CO)NC(=O)Cn1cc(C#N)c(O)nc1=O 1362246686 WFEHKFWYZCWDSY-GXSJLCMTSA-N 308.338 -0.266 30 20 DBED COCC[C@]1(NC(=O)Cn2cc(C#N)c(O)nc2=O)CCOC1 1362582054 JRMAZIQFGVPZOH-AWEZNQCLSA-N 322.321 -0.868 30 20 DBED CSc1nc(O)c(C(=O)N2C[C@@H](O)[C@H](CO)C2)cc1C#N 1363249374 QAOZRDOAOIHMPB-WCBMZHEXSA-N 309.347 -0.194 30 20 DBED CN1CCN(C(=O)CNS(=O)(=O)c2cccnc2C#N)CC1 1364037792 YETIOBKQAIVTKA-UHFFFAOYSA-N 323.378 -0.994 30 20 DBED CNC(=O)[C@H](O)CNC(=O)C1(c2cc(F)cc(C#N)c2)CC1 1364508168 QPUFMNCQAMOLMO-GFCCVEGCSA-N 305.309 -0.048 30 20 DBED N#Cc1cc(N2CCN(S(=O)(=O)c3nc[nH]n3)CC2)ccn1 1364555867 IUNDHYXJQFWCJS-UHFFFAOYSA-N 319.350 -0.418 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CCN(C(=O)c2cn(C)c(=O)n2C)C1 1385377818 GXCUACFQWMSKTD-QWRGUYRKSA-N 319.365 -0.444 30 20 DBED CC(=O)N1CC(C(=O)N2CCC[C@@H]2CNC(=O)[C@@H](C)C#N)C1 1391073373 HPWTYHOUGFMOMU-GXFFZTMASA-N 306.366 -0.268 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)CN(C)CC(C)(C)C)C1 1396393901 XYWHXLYQJCHDBG-JHJVBQTASA-N 324.425 -0.188 30 20 DBED CC(=O)N(C)CC(=O)N[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 1396898615 VWPQUZCGPFFWHZ-LBPRGKRZSA-N 317.349 -0.305 30 20 DBED C[C@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)CCc1cnn[nH]1 1400095726 ZYGFOHODSKRKBF-SECBINFHSA-N 315.337 -0.128 30 20 DBED C[C@@H]1C[C@@H](CNC(=O)Cn2cc(C#N)c(O)nc2=O)[C@@H](C)O1 1418091569 VFKCCFWNCHOGEX-BBBLOLIVSA-N 306.322 -0.250 30 20 DBED CNC(=O)NCCC(=O)N1CC2(CCN(C(=O)[C@H](C)C#N)C2)C1 1426271823 FGGJLFXUWOIDEU-LLVKDONJSA-N 321.381 -0.474 30 20 DBED N#Cc1cc(C(=O)NC[C@H](O)CNC(=O)[C@@H]2CCCOC2)c[nH]1 1431492418 KBHWHFQTSDDFNT-ZWNOBZJWSA-N 320.349 -0.480 30 20 DBED CC(C)CNC(=O)[C@@H](C)N1CC(O)(CNC(=O)[C@@H](C)C#N)C1 1440038352 KSQAYKQQEQFNOS-NWDGAFQWSA-N 310.398 -0.530 30 20 DBED CCNC(=O)CNC[C@H](O)CN(C)C(=O)c1cc(C#N)c[nH]1 1441959681 NVAJNLFDZCIBMZ-NSHDSACASA-N 307.354 -0.955 30 20 DBED N#CCC1(CS(=O)(=O)NC[C@@H]2CC(C(N)=O)=NO2)CC1 1475206301 ZFWCWSVBAHUIBT-QMMMGPOBSA-N 300.340 -0.770 30 20 DBED CNC(=O)NC1CCN(S(=O)(=O)N(C)[C@@H](C)CC#N)CC1 1475391750 QMNMHUPZNDVKBR-JTQLQIEISA-N 317.415 -0.141 30 20 DBED CN1CCC[C@@H]1C(=O)N(C)[C@@H](CNCC(=O)NCC#N)C1CC1 1485819737 JJCGAYSHLKZWQN-KGLIPLIRSA-N 321.425 -0.453 30 20 DBED COCCN(CCNC(=O)Cc1cnn(C)c1)C(=O)[C@H](C)C#N 1488531565 RVBKBPVHDLUFKT-GFCCVEGCSA-N 321.381 -0.287 30 20 DBED COCC(=O)NCCC(=O)N1CC[C@H](CNC(=O)[C@@H](C)C#N)C1 1495214766 GKMMTWQVELCQKT-NWDGAFQWSA-N 324.381 -0.737 30 20 DBED C[C@H](C#N)C(=O)NCC1CN(C(=O)c2cnc(N(C)C)cn2)C1 1498678667 SUJAONVHHRLKQQ-SNVBAGLBSA-N 316.365 -0.110 30 20 DBED N#Cc1ccc(C(=O)NC[C@H](O)CNC(=O)[C@H]2CCCO2)[nH]1 1501408712 CKPSBNNHALLMSF-CMPLNLGQSA-N 306.322 -0.728 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1ccc2nncn2c1 1501576636 NVMRNIFNRSQMFG-GXSJLCMTSA-N 316.321 -0.904 30 20 DBED Cn1ccnc1C(=O)[C@H](C#N)C(=O)CCN1CCCS1(=O)=O 1516728659 JCPCUGIRFSDVHD-SNVBAGLBSA-N 324.362 -0.263 30 20 DBED N#Cc1nc(NC[C@H](O)C2CCOCC2)cnc1-c1nn[nH]n1 1570918514 QPLMOAKMFZUPMA-JTQLQIEISA-N 316.325 -0.272 30 20 DBED N#Cc1ncc(Oc2cncc(C(N)=O)c2)nc1-c1nn[nH]n1 1581884975 IXAKFORRSQTQDE-UHFFFAOYSA-N 309.249 -0.185 30 20 DBED C#CCCCCNC(=O)NCCn1cnc(-c2nn[nH]n2)n1 1588345483 BXYVIRMLAZXWGJ-UHFFFAOYSA-N 303.330 -0.439 30 20 DBED C=CCC(C)(C)C(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2C(=O)O)C1 1588731738 NTEIMAVSHDLWQY-GHMZBOCLSA-N 324.377 -0.001 30 20 DBED C[C@@H]1CN(C(=O)C(=O)N2CCO[C@@](C)(C#N)C2)C[C@H]1CC(=O)O 1599849915 GJVMKRRZQPINJW-HFAKWTLXSA-N 323.349 -0.303 30 20 DBED O=C(NCCN/C(O)=C1/N=CC=CC1=O)N[C@H]1C[C@H](C(=O)O)C1 1601503201 BWJFJRUPKYYIJN-OVXHENHJSA-N 322.321 -0.325 30 20 DBED C#C[C@H]1COCCN1C(=O)C(=O)Nc1cccc(C(=O)O)n1 1602681091 BBTZZJZKSYSBKA-VIFPVBQESA-N 303.274 -0.421 30 20 DBED N#Cc1nc(N)n(Cc2nc(CC3CC3)no2)c1-c1nn[nH]n1 1606390197 ZEMNKWTXNSZZFO-UHFFFAOYSA-N 312.297 -0.099 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[C@H](O)[C@@H](CO)C1 1649873487 KZKXSYBJHWDKAF-UTUOFQBUSA-N 305.400 -0.612 30 20 DBED CC(C)[C@@H](C(=O)NCC1CN(CC(=O)NCC#N)C1)N(C)C 1732138072 SIDWHUFATGUYGP-AWEZNQCLSA-N 309.414 -0.740 30 20 DBED C#CCN1CCN(CCNC(=O)c2ccnc3[nH]cnc23)CC1 1752365743 IDJMDKXEMNDRNG-UHFFFAOYSA-N 312.377 -0.062 30 20 DBED CC#CCN1CCCC[C@H]1CNC(=O)CN1C(=O)CNC1=O 1752824692 CFZRFRAQGLVBME-LBPRGKRZSA-N 306.366 -0.468 30 20 DBED C=C(C)CN(CC)C(=O)CN[C@@H](C)CNC(=O)[C@H]1CCNC1=O 1752892232 ZJYWWHNEEAPFSU-STQMWFEESA-N 324.425 -0.359 30 20 DBED Cc1ncoc1C(=O)N1CC[C@H](CNCC(=O)NCC#N)C1 1752936124 QKMONOVDVAWYPP-LLVKDONJSA-N 305.338 -0.326 30 20 DBED C#CCNC(=O)CN1CC[C@H](CNC(=O)c2cnn(CC)c2)C1 1753121282 AOGUASUVNTUPHY-CYBMUJFWSA-N 317.393 -0.296 30 20 DBED CC#CCN[C@H](CC)CNC(=O)CN1CCS(=O)(=O)CC1 1753494806 NGOMJVGTUZHMPQ-CYBMUJFWSA-N 315.439 -0.776 30 20 DBED C#CCN1CCC(C(=O)N[C@H](C)CN(C)[C@H]2CCNC2=O)CC1 1754337552 WAZPKQSNAMUJJX-HIFRSBDPSA-N 320.437 -0.343 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCN(C)C(=O)[C@H]1CCN(C)C1=O 1754390397 RBBXELMMDVECMM-CHWSQXEVSA-N 322.409 -0.959 30 20 DBED C=CCNC(=O)NC(=O)CNC[C@@H](NC(=O)C(F)F)C1CC1 1754432495 LVQXABGFUUGIMR-SECBINFHSA-N 318.324 -0.252 30 20 DBED CC(C)C#CC(=O)NC[C@H]1[C@@H]2CN([C@@H]3CCC(=O)NC3=O)C[C@H]12 1755423612 SOUGAFDTWPYQRU-YIYPIFLZSA-N 317.389 -0.255 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](CNC(=O)[C@@H](C)NC(C)=O)[C@H]2C1 1755435794 VIJCUUSQGBMJFO-ZRJCITRHSA-N 322.409 -0.893 30 20 DBED CCOc1ccc(C(=O)NC[C@@H](CO)NCC#CCOC)cn1 1755630363 HYFIMNCBAZPKHS-AWEZNQCLSA-N 321.377 -0.190 30 20 DBED C[C@H](CNC(=O)[C@H]1CCNC1=O)N(C)C(=O)c1cc(C#N)c[nH]1 1756054941 YGGBXIHNFFQKNV-KOLCDFICSA-N 317.349 -0.401 30 20 DBED C#Cc1ccc(C(=O)NC[C@H](CO)NC(=O)c2ccccn2)nc1 1756538988 VJMYBXRAUCZYIQ-CYBMUJFWSA-N 324.340 -0.021 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H](CO)CNC(=O)c1cnc(C)n1C 1756543335 OBXBCUYCCNUOKG-IAQYHMDHSA-N 324.381 -0.737 30 20 DBED C=CCCC(=O)N[C@@H]1C[C@H](C)N(C(=O)Cn2c(O)nnc2O)C1 1756596759 BALOXXUFDDNPIQ-VHSXEESVSA-N 323.353 -0.239 30 20 DBED C=CCOCC(=O)NC1CC(N(C)C(=O)CCNC(N)=O)C1 1756741192 JGHSIRWVJCSWTH-UHFFFAOYSA-N 312.370 -0.647 30 20 DBED C[C@@H](C#N)C(=O)NCCC1=CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1 1756887656 RRWHLFQEAZTDDH-UHTWSYAYSA-N 318.377 -0.068 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCN(C)C(=O)C2)C1 1757019837 UEJYJORQLLRGEB-YNEHKIRRSA-N 323.393 -0.491 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H]2CC[C@H]1[C@H]1CN(C(C)=O)C[C@@H]21 1757425904 YIIJPKCEOPGNQL-QPSCCSFWSA-N 317.389 -0.159 30 20 DBED C[C@]1(C(=O)N2CC[C@@]3(CN(C(=O)CC#N)CCO3)C2)CCCN1 1781139811 XOTOLGKNNWTSRL-HZPDHXFCSA-N 320.393 -0.128 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCCCC1)C2 1800451672 ACXKBHJEEDQAPX-XOIINTDNSA-N 319.405 -0.305 30 20 DBED C=C(C)CNC(=S)N1CCN(C(=O)C(=O)NC2CC2)CC1 44196360 YZELUBGGRKRNLX-UHFFFAOYSA-N 310.423 -0.140 30 20 DBED CC(C)NC(=O)CNC(=O)CNC(=O)c1ccc(C#N)cc1 171107263 UQWXZRIKWIZVPS-UHFFFAOYSA-N 302.334 -0.071 30 20 DBED N#Cc1c(F)cccc1S(=O)(=O)NCCOCC(N)=O 228674281 NWSFWBVTVAUWDY-UHFFFAOYSA-N 301.299 -0.522 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(C)C[C@H]2CCC[C@H]2O)C1=O 270165990 ZGOPSWBWUNVHSQ-GHMZBOCLSA-N 323.349 -0.417 30 20 DBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)CCO 270271826 QLCGTUJLLNHENA-JTQLQIEISA-N 311.363 -0.324 30 20 DBED COc1ccccc1CN/C(N)=N/CCS(=O)(=O)N(C)C 290621792 KMOKIHKHBXKRGF-UHFFFAOYSA-N 314.411 -0.009 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 294890790 IRLWZTAHIJZWJZ-UONOGXRCSA-N 307.394 -0.210 30 20 DBED Cc1nc([C@@H]2CN(/C(O)=N/[C@H]3CC(=O)N(C)C3)CCO2)no1 329505409 LHMBMKMPWOPKRY-UWVGGRQHSA-N 309.326 -0.104 30 20 DBED O=C1C[C@H](N/C(O)=N/C[C@@H]2CCCS2(=O)=O)CN1C1CC1 330073899 KUPTZVQWUMDTHQ-ONGXEEELSA-N 315.395 -0.170 30 20 DBED CC(=O)N1CCN(C(=O)CCNC(=O)c2ccc(C#N)[nH]2)CC1 330386299 ATZOFIBQDKKTFQ-UHFFFAOYSA-N 317.349 -0.303 30 20 DBED C[C@H](C(=O)N(C)CC(=O)N1CCN(CC#N)CC1)n1cccn1 330835425 WUOXLPUEFPVUOA-CYBMUJFWSA-N 318.381 -0.430 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@H](O)[C@@H]1CCOC1 337084533 CQVMIWMQHIEDTF-UTUOFQBUSA-N 305.400 -0.300 30 20 DBED COC(=O)[C@@H]1C[C@H](OC)CN1C(=O)[C@@H](C)n1cnc(C#N)n1 342731568 KWEJGCIGJFZVQJ-UTLUCORTSA-N 307.310 -0.500 30 20 DBED COC(=O)CN(CCN1CCOCC1)C(=O)CSCC#N 347573498 ASNYPZQIIOZTPE-UHFFFAOYSA-N 315.395 -0.423 30 20 DBED CC(C)(C)NS(=O)(=O)CCCS(=O)(=O)N1CC(C#N)C1 349502707 OLVXQJWDIDLMRP-UHFFFAOYSA-N 323.440 -0.120 30 20 DBED N#Cc1nc(N)n(CC(=O)NC(=O)NCc2ccco2)c1C#N 352558538 YFULAAJKSHWSGE-UHFFFAOYSA-N 313.277 -0.172 30 20 DBED Cn1nnnc1CS(=O)(=O)CC(=O)Nc1cccc(C#N)c1 356503232 FHXHMRLESGPTNH-UHFFFAOYSA-N 320.334 -0.365 30 20 DBED Cn1c(N[C@H](CCO)C2CCOCC2)c(C#N)c(=O)n(C)c1=O 359256106 FIPBECGDFYAORR-GFCCVEGCSA-N 322.365 -0.455 30 20 DBED N#CCSCC(=O)N[C@H]1CCN(CCN2CCOCC2)C1 369343961 FQKVTXLHHSMZLR-ZDUSSCGKSA-N 312.439 -0.234 30 20 DBED COC(=O)[C@@H]1C[C@@H](OC)CN1CC(=O)N(CCC#N)CCC#N 371660619 RMJZMGLBLBLPRA-OLZOCXBDSA-N 322.365 -0.095 30 20 DBED C=CCOC[C@@H](NC(=O)[C@@H](C)N1C(=O)CCC1=O)C(=O)OC 559596874 MOHRNYOYPVCJMK-NXEZZACHSA-N 312.322 -0.616 30 20 DBED CO[C@@H](CNC(=O)C(=O)NC1CCN(CC#N)CC1)C(C)C 588123907 NWFVLJZHXFEGSD-ZDUSSCGKSA-N 310.398 -0.122 30 20 DBED Cc1nc(NCCN2CCN(S(C)(=O)=O)CC2)ccc1C#N 589860724 IIWKPHLUHXGFNN-UHFFFAOYSA-N 323.422 0.251 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)NCc1nnn(C(C)(C)C)n1 594475977 AGQHMSKCXROJOG-SECBINFHSA-N 315.403 -0.004 30 20 DBED COc1cc(NC(=O)C(=O)N2C[C@H](O)[C@@H](O)C2)c(F)cc1C#N 600007479 UKKLFKMYRGUGMQ-QWRGUYRKSA-N 323.280 -0.792 30 20 DBED COCCN(C)CCN1C[C@@H](N=c2nc[nH]cc2C#N)CC1=O 601178090 LAPXRSRIHNMFGP-ZDUSSCGKSA-N 318.381 -0.639 30 20 DBED CN[C@@H]1CCCN(C(=O)C(=O)N2CCN(CCC#N)CC2)C1 601592186 IVHBVDLQIOZOBM-CYBMUJFWSA-N 307.398 -0.745 30 20 DBED CN1CCN(C(=O)CN(C)C(=O)C2(C#N)CCOCC2)CC1 602194659 LCYIOXSDPVXTRS-UHFFFAOYSA-N 308.382 -0.461 30 20 DBED C=C[C@@](C)(O)C(=O)N1CCC(NC(=O)N2CCOCC2)CC1 633482420 VSZCETVMUVXAEF-OAHLLOKOSA-N 311.382 -0.044 30 20 DBED CC#CC[C@H](CO)NC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 649185502 GAPZXSLNTAOZPV-AFCCXKIYSA-N 320.345 -0.961 30 20 DBED CC#CC[C@@H](CO)NC(=O)[C@H]1CCCCN1S(C)(=O)=O 649192869 RLRIOKFTWNQGDM-NWDGAFQWSA-N 302.396 -0.309 30 20 DBED C#CCCCS(=O)(=O)NCCS(=O)(=O)N1CCCC1 721906916 FSEYSEGHAGVTTL-UHFFFAOYSA-N 308.425 -0.255 30 20 DBED C#CCCc1noc(Cn2cnc3c2c(=O)n(C)c(=O)n3C)n1 762000601 IJBXDRHFABYXDN-UHFFFAOYSA-N 314.305 -0.569 30 20 DBED COCCNC(=O)[C@H](C#N)C(=O)/C=C/c1cnc(OC)nc1 773976959 SWUADVHBQNWQFF-PGLGOXFNSA-N 304.306 -0.030 30 20 DBED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(C)nc1N(C)C 777285601 CHCJBIYYGOAIFU-UHFFFAOYSA-N 319.365 -0.187 30 20 DBED C#CCOCCNC(=O)C(=O)Nc1ccn(CC(F)F)n1 785160998 QJYDPXIOQZLBNO-UHFFFAOYSA-N 300.265 -0.147 30 20 DBED C#C[C@H](NC(=O)C(=O)NCCn1ccnc1C)[C@@H]1CCCO1 804030135 DIEAXOVVUQJGAI-STQMWFEESA-N 304.350 -0.395 30 20 DBED COC(=O)c1cc(NN=C2C(=O)NC(=O)NC2=O)ccc1C 814229193 SUTDDUCXGXFRDV-UHFFFAOYSA-N 304.262 -0.084 30 20 DBED CC(=NNC(=S)NCC(N)=O)c1cn(-c2ccccc2)nn1 814844092 AYKPZBIHJLNFFC-UHFFFAOYSA-N 317.378 -0.059 30 20 DBED C[C@](C#N)(CC(=O)O)C(=O)NCCCN1CCC[C@@H](C(N)=O)C1 819834014 LMKKORBLDITIFK-IAQYHMDHSA-N 324.381 -0.305 30 20 DBED N#Cc1nc(N)n(CCN2C[C@@H]3CC[C@H](C2)O3)c1-c1nn[nH]n1 826387905 YCQOESPPVYSPMX-DTORHVGOSA-N 315.341 -0.620 30 20 DBED C#CCCN(CCOC)S(=O)(=O)c1cc(C(N)=O)n(C)c1 851875610 PHUWONBAWRYAIC-UHFFFAOYSA-N 313.379 -0.216 30 20 DBED C#C[C@H](NC(=O)N(CCN(C)C)CC(=O)N(C)C)[C@H]1CCCO1 854003255 GQUPPHZIGVMKIP-UONOGXRCSA-N 324.425 -0.171 30 20 DBED C#C[C@H](CC)NC(=O)N1CCN(S(=O)(=O)NC(C)C)CC1 854079116 WFUNJKIKUIJEMN-GFCCVEGCSA-N 316.427 -0.032 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)CN1C(=O)NC2(CCCC2)C1=O 855707521 OMWAKLBPMXLQER-JTQLQIEISA-N 321.333 -0.468 30 20 DBED C#C[C@H](NC(=O)N1CCC(C(=O)NCCO)CC1)[C@@H]1CCCO1 875506091 CDMLBLBKEYPBIA-KBPBESRZSA-N 323.393 -0.303 30 20 DBED C#CC1(O)CN(C(=O)NCCCn2nc3n(c2=O)CCCC3)C1 892102919 WCRBKUOIEAIPNE-UHFFFAOYSA-N 319.365 -0.839 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N1CCc2ncncc2C1 898139707 CIERNWADIHRERT-ZDUSSCGKSA-N 316.361 -0.094 30 20 DBED C=CCNC(=O)NC(=O)CN1CCO[C@@H](c2ccnn2C)C1 933521946 GVFORFBEUNHFJA-GFCCVEGCSA-N 307.354 -0.195 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCN(C(=O)Cn3cnnn3)CC2)C1 944850595 USQYNEROIFZZRC-LLVKDONJSA-N 317.353 -0.716 30 20 DBED C=C(Cl)C(C)(C)C(=O)N1C[C@@H](NC(=O)C(N)=O)[C@H](OC)C1 946497630 HCQIHJYQDBGHTG-RKDXNWHRSA-N 317.773 -0.408 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)[C@@H]1CCCO1 949473503 RLYJCXRIOWVRGU-KKUMJFAQSA-N 319.405 -0.020 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1nc[nH]n1 952174796 TUCUPTMUTIIFOB-MXWKQRLJSA-N 305.338 -0.274 30 20 DBED C[C@H](C#N)C(=O)N1CC(N(C)C(=O)C[C@@H]2CCCC(=O)N2)C1 954885656 JWFGUVYYGGRORZ-MNOVXSKESA-N 306.366 -0.126 30 20 DBED N#CCN1C[C@H](CNC(=O)c2cnc3nccnc3c2)[C@@H](O)C1 958140044 PZWQCTUFWCIJGC-AAEUAGOBSA-N 312.333 -0.429 30 20 DBED C=CCN1C[C@@H](O)[C@H](CNC(=O)c2cc3n(n2)CCCO3)C1 958255455 YMMMNWHEIAMIDT-DGCLKSJQSA-N 306.366 -0.126 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](NC(=O)c2cn(C)c(=O)cn2)[C@H](C)C1 958367940 GGHNFRDIIRBPDJ-GMTAPVOTSA-N 317.349 -0.483 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cn2ccnc2)C1 958880968 BDKCTMAQBJHGSS-SRVKXCTJSA-N 305.338 -0.927 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1[C@H]2CN(Cc3cnon3)C[C@H]12 960347645 PPUYFXVLSXXEGN-IHRRRGAJSA-N 315.377 -0.286 30 20 DBED N#Cc1ccc(CN2C[C@@H]3C(NC(=O)C(N)=O)[C@H]3C2)c(F)c1 961643370 WBINIYHFFQEQTG-QWRGUYRKSA-N 302.309 -0.271 30 20 DBED C#CCCN1C[C@H]2C(NC(=O)[C@H]3COCCN3C(C)=O)[C@@H]2C1 962613532 FXPBGUXMKQJTQY-MGPQQGTHSA-N 305.378 -0.697 30 20 DBED NC(=O)CC(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)C#CC1CC1 963060078 UGIXUTKAMXHCNX-QWHCGFSZSA-N 303.362 -0.133 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2COCCN2C(=O)COC)nn1 964190922 LDPMCCXMRATXJJ-LLVKDONJSA-N 323.353 -0.932 30 20 DBED Cc1cc(C(=O)N2CCOC3(C2)CN(C(=O)[C@@H](C)C#N)C3)n[nH]1 965321493 ANXHQJZCRMNZFJ-JTQLQIEISA-N 317.349 -0.069 30 20 DBED C[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1NC(=O)c1ccc(C#N)[nH]1 966681346 HPXWVWILIWGQEQ-KCJUWKMLSA-N 313.321 -0.105 30 20 DBED C=CCN1CCO[C@@]2(CCN(C(=O)[C@@H](C)S(C)(=O)=O)C2)C1 972434976 KAAIVYWMBAZGTF-OCCSQVGLSA-N 316.423 -0.091 30 20 DBED CC(=O)N1CC(C(=O)NC[C@H]2CCCN(C(=O)[C@H](C)C#N)C2)C1 975230139 RBPOZPRTZRXHLB-DGCLKSJQSA-N 320.393 -0.021 30 20 DBED O=C1N[C@H](C(=O)NC[C@H]2CCCN(C(=O)C#CC3CC3)C2)CO1 975247638 CXFZZUIVTKAQOP-OLZOCXBDSA-N 319.361 -0.137 30 20 DBED CN(C)C(=O)CN1C[C@H]2C(CNC(=O)c3cc(C#N)c[nH]3)[C@@H]2C1 977973502 HOHNEJXVTLRALS-STQMWFEESA-N 315.377 -0.118 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](CNC(=O)c2cc(C(N)=O)c[nH]2)C1 983212865 SBUXYEJWLOCZAQ-UWVGGRQHSA-N 317.349 -0.148 30 20 DBED CC[C@@H]1[C@@H](NC(=O)Cn2cnnn2)CCN1C(=O)[C@H](C)C#N 984513290 AQFKNJOFYXZOND-OUAUKWLOSA-N 305.342 -0.672 30 20 DBED C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)Cn2ncn(C)c2=O)C1 989061385 FHZAYMYCMRWODM-MNOVXSKESA-N 313.789 -0.087 30 20 DBED C#CCNC1CCN(C(=O)[C@@H]2Cc3cncn3C(=O)N2)CC1 996828970 YLXNXFAZFCRYKW-ZDUSSCGKSA-N 301.350 -0.421 30 20 DBED C[C@@H](C#N)C(=O)N1CCCO[C@H](CNC(=O)C2=COCCO2)C1 1019519288 NSGMJTQUBHQEMR-NWDGAFQWSA-N 323.349 -0.232 30 20 DBED C[C@H](C#N)C(=O)N1CCCO[C@H](CNC(=O)c2cncn2C)C1 1019615335 KOZUVYBWBDTOKS-VXGBXAGGSA-N 319.365 -0.073 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@@H](N[C@H]2CCNC2=O)C1 1022220980 VFWLMTOUZKIJJH-CRWXNKLISA-N 304.394 -0.791 30 20 DBED C#CCN1CCC[C@@H](CNC(=O)[C@H]2COCCN2C(C)=O)C1 1023757334 CFGVTHDZBJIJBR-LSDHHAIUSA-N 307.394 -0.305 30 20 DBED C#CCN1CCC[C@H]1CNC(=O)c1nc(C)n(-c2nc[nH]n2)n1 1028060898 KZLHIZNPMOVBIC-NSHDSACASA-N 314.353 -0.479 30 20 DBED C#CCN1CC[C@@H](CNC(=O)c2cn([C@@H]3CCOC3)nn2)C1 1028917985 VWDAIDBMTBAVJU-QWHCGFSZSA-N 303.366 -0.076 30 20 DBED N#CCN1CCCC[C@H](NC(=O)c2nccnc2C(N)=O)C1 1034523424 JVRPYEODXCKMJT-JTQLQIEISA-N 302.338 -0.317 30 20 DBED C#CCN1CCC2(CCN(C(=O)C3CC(=O)NC(=O)C3)CC2)C1 1035237997 MBMHPQSXWGAVKS-UHFFFAOYSA-N 317.389 -0.013 30 20 DBED C=CCCC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2CCN(C)C2)C1 1039757445 RQXGFGCRKHVMQQ-CJNGLKHVSA-N 309.410 -0.016 30 20 DBED C=CCO[C@H](C)C(=O)NC[C@]1(O)CCN(C(=O)c2cnon2)C1 1040161332 MBZKQIKCWGTEIF-QMTHXVAHSA-N 324.337 -0.646 30 20 DBED C=CCCC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2CCC(=O)N2)C1 1040435359 IHVZELRMGFQOFZ-XHDPSFHLSA-N 309.366 -0.689 30 20 DBED Cc1nn(C)cc1C(=O)N1CC[C@](O)(CNC(=O)[C@@H](C)C#N)C1 1040759444 BATYDWRGFJBDIH-BONVTDFDSA-N 319.365 -0.419 30 20 DBED Cc1ccnc(N2C[C@@H](O)[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)n1 1040961144 CLBYIMNYZAYBMD-CHWSQXEVSA-N 312.333 -0.036 30 20 DBED CC#CCN1CC[C@H]2CCN(C(=O)Cn3c(O)nnc3O)C[C@H]21 1042331737 QBWCNDGDQSOTAV-NWDGAFQWSA-N 319.365 -0.365 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)c2cncc(F)c2)C1 1042497961 SEIFJOWWRUBYFG-SECBINFHSA-N 306.297 -0.317 30 20 DBED C=C1CC(C)(C(=O)N2CC(O)(CNC(=O)CC(=O)NCC)C2)C1 1042678731 BVLDEBRPMPPHOB-UHFFFAOYSA-N 323.393 -0.442 30 20 DBED C#CCNC(=O)CC(=O)NCC1(O)CN(C(=O)CC2(C)CC2)C1 1042678755 CTTSDQKREZLLEW-UHFFFAOYSA-N 321.377 -0.994 30 20 DBED C=CC(C)(C)CC(=O)N1CC(O)(CNC(=O)c2cn(C)nn2)C1 1042886843 KCGDMZOXFAFRKY-UHFFFAOYSA-N 321.381 -0.280 30 20 DBED CC[C@@H](C(=O)N1CC(O)(CNC(=O)C#CC(C)C)C1)N(C)C 1042938425 WMRMCVHLPYVQEW-ZDUSSCGKSA-N 309.410 -0.325 30 20 DBED CC#CCN1CC(N(C)C(=O)CN2CCCCS2(=O)=O)C1 1043362587 USBQVVHZVDSKIQ-UHFFFAOYSA-N 313.423 -0.422 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)c3cnsn3)C2)cn1 1043862493 CLNLYTMQFMHVIJ-NEPJUHHUSA-N 316.346 -0.216 30 20 DBED C#CCN1CC[C@@H](N2CCN(C(=O)c3cnn(C)c3N)CC2)C1 1046022139 LZZNMDMFMUXOOR-CYBMUJFWSA-N 316.409 -0.532 30 20 DBED C[C@]1(C(=O)N2CCN([C@H]3CCN(CC#N)C3)CC2)CNC(=O)C1 1046047730 XLKYLJLCGRDAGB-XJKSGUPXSA-N 319.409 -0.745 30 20 DBED C#CCN1CC[C@H](N2CCN(C(=O)c3ccn(C)n3)CC2)C1 1046084811 VGDQXSYGZMFBNB-AWEZNQCLSA-N 301.394 -0.115 30 20 DBED C[C@]1(NC(=O)c2cnn3c(=O)cc[nH]c23)CCN(CC#N)C1 1046681191 LJGWPVBYUPTEKZ-AWEZNQCLSA-N 300.322 -0.260 30 20 DBED CC[C@@H]1CCCN1C(=O)C(=O)N(C)[C@H]1CN(CC#N)C[C@@H]1O 1047588899 VANDWGUPODPLOO-AGIUHOORSA-N 308.382 -0.586 30 20 DBED C=CCCC(=O)N(C)[C@H]1CN(C(=O)c2cnc(O)n2C)C[C@@H]1O 1048540245 QLNKVBKKIXATEL-RYUDHWBXSA-N 322.365 -0.264 30 20 DBED C#CCN1C[C@H]2CN(C(=O)C(=O)Nc3cc(C)on3)C[C@H]2C1 1049210749 SDLBIFVUUQZPBB-TXEJJXNPSA-N 302.334 -0.055 30 20 DBED Cc1cc(CC(=O)N2C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)C#N)C2)no1 1049387837 AWNVILOJDDGQOK-ICCXJUOJSA-N 320.349 -0.285 30 20 DBED Cc1ncn(C)c1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)C#N)C1 1049401881 LSWCADVKGUFUNK-DLOVCJGASA-N 319.365 -0.468 30 20 DBED Cn1cnn(CCC(=O)N2CCC[C@H]3CN(CC#N)C[C@H]32)c1=O 1050102287 TYMNYWFZRLMWLM-QWHCGFSZSA-N 318.381 -0.582 30 20 DBED C=CCN1CCOC[C@@H]1CNC(=O)[C@@H]1CCCS(=O)(=O)C1 1051143635 HYVRYNMNQYFXJJ-OLZOCXBDSA-N 316.423 -0.186 30 20 DBED N#CCN1CCOC[C@H]1CNC(=O)[C@@H]1CCCN1C(=O)C1CC1 1051156332 QFYANPGGNCZUGJ-KGLIPLIRSA-N 320.393 -0.272 30 20 DBED Cc1ccnn1CC(=O)N1CC[C@@H](N2CCN(CC#N)CC2)C1 1052088495 KDSVELKPHPCTTC-OAHLLOKOSA-N 316.409 -0.066 30 20 DBED C[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1CNC(=O)CC(N)=O 1052395923 BWGDMDFJKSHTMD-ONGXEEELSA-N 317.349 -0.414 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1C 1052669256 PGZDTYNOTAMBEZ-VXGBXAGGSA-N 322.369 -0.914 30 20 DBED CCN1CC[C@@H](N2CC3(CN(C(=O)[C@H](C)C#N)CCO3)C2)C1=O 1053191045 KUEGRIPOHDIANF-CHWSQXEVSA-N 320.393 -0.320 30 20 DBED C=C(C)CN1CC2(C1)CN(C(=O)[C@@H]1CC(=O)N(C)C1)CCO2 1053279037 DEWZATDUEFTMAQ-CYBMUJFWSA-N 307.394 -0.046 30 20 DBED CN1CC[C@H](C(=O)NC[C@H]2CCC3(CN(CC#N)C3)O2)CC1=O 1053619176 MWMJZJFQAIFCPU-QWHCGFSZSA-N 320.393 -0.272 30 20 DBED CN1C(=O)CC[C@@H]1C(=O)NC[C@@H]1CCC2(CN(CC#N)C2)O1 1053649404 LDICQWXLFIQHKJ-NWDGAFQWSA-N 306.366 -0.520 30 20 DBED COCc1nn(C)cc1C(=O)N[C@H]1COC2(C1)CN(CC#N)C2 1053850816 FVCZLFLEBKYETI-LLVKDONJSA-N 319.365 -0.337 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)c3ccc(OC)nn3)CO2)C1 1053974934 WHJHXJVIFZKZDU-LLVKDONJSA-N 302.334 -0.309 30 20 DBED C=CCOCC(=O)N1CCC[C@](CO)(NC(=O)c2ccon2)C1 1055800937 BYYOAPXPPYMLSX-HNNXBMFYSA-N 323.349 -0.040 30 20 DBED N#Cc1cccnc1N1C[C@H]2C(NC(=O)[C@H]3CCC(=O)N3)[C@@H]2C1 1056146376 FSRHUTHFUQBCLS-IJLUTSLNSA-N 311.345 -0.217 30 20 DBED Cc1nc(CC(=O)N2CC[C@@H](N=c3cc[nH]c(C#N)n3)C2)n[nH]1 1056625487 PMNXVINBAKXENO-SNVBAGLBSA-N 312.337 -0.548 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)[C@H]1CC[C@H]1C(N)=O 1057174034 ODNPVPQLFLBWJT-NEPJUHHUSA-N 311.382 -0.599 30 20 DBED N#Cc1cnc(N2CCC(NC(=O)[C@@H]3COCCO3)CC2)cn1 1057840596 KCHYWBNHRHCJDE-ZDUSSCGKSA-N 317.349 -0.151 30 20 DBED C=CCO[C@H](C)C(=O)N(CCO)CCNC(=O)[C@@H](C)OCC 1057922109 XHYRWNWXOTYGKK-CHWSQXEVSA-N 316.398 -0.060 30 20 DBED CN1CCC(C(=O)N(CCO)CCNC(=O)C#CC2CC2)CC1 1057993914 BSXASDOFKJGUOQ-UHFFFAOYSA-N 321.421 -0.321 30 20 DBED C=CC(C)(C)C(=O)N(CCO)CCNC(=O)Cc1nc[nH]n1 1058303566 BWAGOZFRKQFTQD-UHFFFAOYSA-N 309.370 -0.504 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)[C@@H]1CC12CCOCC2 1058662882 AYJZHDNXPCEMJS-STQMWFEESA-N 323.393 -0.100 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1CCN(C(=O)[C@H]2CCC(=O)NC2)C1 1059114423 SIDHMMLPTTXJDX-AAEUAGOBSA-N 313.361 -0.086 30 20 DBED N#Cc1cnc(N2CC[C@H]3[C@@H](CCCN3C(=O)C(N)=O)C2)cn1 1059540118 KTXQKPJUJQCSIR-JQWIXIFHSA-N 314.349 -0.349 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC[C@@H](CCNC(=O)CC(N)=O)C1 1059555190 OILOYMZIPRDUCC-ABAIWWIYSA-N 311.382 -0.456 30 20 DBED Cn1nnc(C(=O)NC[C@@H]2CCCN2c2ccncc2C#N)n1 1061428995 TXDYANDPEGXTLR-NSHDSACASA-N 312.337 -0.124 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)CCn1cncn1 1061847526 SXLGOXMBMAXCOW-NWDGAFQWSA-N 320.353 -0.829 30 20 DBED Cc1nc(O)[nH]c1C(=O)N1CCOC[C@@H]1CNC(=O)[C@@H](C)C#N 1061853641 TWPBRTRABJDZQF-WPRPVWTQSA-N 321.337 -0.459 30 20 DBED C=CCCOCC(=O)NC[C@@H]1CN(C(=O)[C@@H](C)OC)CCO1 1064920909 DVUFZRWQZVTDGD-CHWSQXEVSA-N 314.382 -0.042 30 20 DBED C#CCNC(=O)CC(=O)N1CCO[C@@H](CNC(=O)C2CCC2)C1 1065064570 DHNZGNGSHOYXJL-ZDUSSCGKSA-N 321.377 -0.730 30 20 DBED C=CCO[C@H](C)C(=O)N1CCO[C@@H](CNC(=O)CCOC)C1 1065277893 CDRZKUJFKFAZEP-OLZOCXBDSA-N 314.382 -0.042 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)c2cnn[nH]2)CCO1 1065326597 PNZIJJCOXQKBMZ-LLVKDONJSA-N 305.338 -0.435 30 20 DBED CC#CCN1CCn2ncc(CNC(=O)c3cn(C)nn3)c2C1 1069859413 TVCKURCSPADUMP-UHFFFAOYSA-N 313.365 -0.220 30 20 DBED N#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)Cc2ncc[nH]2)C1 1070060365 SDNPREWRKUWXLW-MNOVXSKESA-N 300.326 -0.891 30 20 DBED N#CCN[C@@H]1CN(C(=O)C[C@H]2CCCO2)C[C@@H]1n1ccnn1 1070145583 JDVGRHZYGVNTKY-UPJWGTAASA-N 304.354 -0.288 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)Cn2ccnc2)CCOCC1 1070159190 SNDDOJKXRREAED-GFCCVEGCSA-N 319.365 -0.176 30 20 DBED N#CCSCC(=O)N1CCC[C@@H](NC(=O)[C@@H]2CCNC2=O)C1 1070454795 QKRHYBYXGAFHIW-GHMZBOCLSA-N 324.406 -0.514 30 20 DBED N#CCN1CCOC[C@H]1c1n[nH]c(CNC(=O)[C@@H]2CCCO2)n1 1070579116 WNCAMTPMSNRTJR-QWRGUYRKSA-N 320.353 -0.503 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CCCN(C(=O)c2cc(=O)n(C)o2)C1 1070662417 PLQQGSIVLBHVKN-VHSXEESVSA-N 306.322 -0.141 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)c4cnn(CC)n4)C[C@@]3(C1)O2 1070794830 CPOXXEHGRMMJHY-WOSRLPQWSA-N 315.377 -0.154 30 20 DBED N#CCN1CCN([C@@H]2CCCN(C(=O)c3ccon3)C2)C(=O)C1 1071255027 CMSDYDORNFLNBB-GFCCVEGCSA-N 317.349 -0.053 30 20 DBED CC#CCN1CCCO[C@@H](CNC(=O)c2nccnc2N)C1 1073561904 FOMXFOAGXLJBMB-LBPRGKRZSA-N 303.366 -0.097 30 20 DBED C#CCCN1CCCO[C@H](CNC(=O)[C@H]2CCC(=O)NC2)C1 1073670115 DGQUYABQCBAPSK-UONOGXRCSA-N 307.394 -0.257 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)c2cn(C)nc2OC)C1 1073722275 IWPVBPPRAIUKGA-LBPRGKRZSA-N 306.366 -0.117 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(C(=O)CNC(N)=O)C[C@@H]1C 1073817128 JZRXPWAMNHQRGB-WDEREUQCSA-N 312.370 -0.790 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCN(C(=O)COC)C[C@H]1C 1073888789 ZGKCZZXOKXXMBK-VXGBXAGGSA-N 309.366 -0.875 30 20 DBED C=C(C)C[C@H](C)C(=O)NCC1(O)CCN(C(=O)C(N)=O)CC1 1074703791 SCBOTFVGLRKZEX-NSHDSACASA-N 311.382 -0.456 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)c2nc(OC)cc(OC)n2)C1 1077234475 LRRNEKXAPCHSPP-GHMZBOCLSA-N 320.349 -0.708 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)c2cccc(-n3cncn3)n2)C1 1077906502 JZNQEKKJQRBMIN-CHWSQXEVSA-N 314.349 -0.377 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)Cc2nc3ncccn3n2)C1 1078172378 YSUXNYXNIDXZJI-VXGBXAGGSA-N 316.365 -0.596 30 20 DBED N#CCN[C@@H]1C[C@H](NC(=O)c2nnc(O)nc2O)C12CCC2 1078670163 FVKSZZIUDLNUMK-SFYZADRCSA-N 304.310 -0.563 30 20 DBED CCN(C(=O)[C@@H](C)NC(C)=O)C1CN(C(=O)C#CC2CC2)C1 1079264211 CNUQACIPEZKMQR-LLVKDONJSA-N 305.378 -0.016 30 20 DBED CCN(C(=O)CSCC#N)C1CN(C(=O)c2cnn(C)n2)C1 1079341583 GTLZIEUCHXUROJ-UHFFFAOYSA-N 322.394 -0.255 30 20 DBED C=CCCC(=O)N(CC)C1CN(C(=O)CN2CCOCC2=O)C1 1079473626 UDDUMVRQPVIGSX-UHFFFAOYSA-N 323.393 -0.129 30 20 DBED C#CCO[C@H](C)C(=O)NC1(CO)CCN(C(=O)[C@@H](C)C#N)CC1 1080861459 TWKHKAWFAIKGCO-QWHCGFSZSA-N 321.377 -0.346 30 20 DBED C=C(C)CN1C[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)[C@H](C)C1 1080959965 YCPSQHVSRKFBCN-GRYCIOLGSA-N 301.412 -0.309 30 20 DBED CC#CCCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)CNC(C)=O)C1 1081202974 WVLBUYHWQQIMKI-ZIAGYGMSSA-N 323.393 -0.748 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C[C@H]1O 1081438430 CGKYHLLQIRIFLZ-SSZWKKLZSA-N 320.389 -0.382 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)c2[nH]nnc2C)C[C@H]1O 1081440017 XFIZRNGLTQHIMR-NWDGAFQWSA-N 319.365 -0.534 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)CCCC(N)=O)C[C@@H]1O 1081464219 XEDQLKNATIQPNC-OLZOCXBDSA-N 323.393 -0.763 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)C1CCN(C(C)=O)CC1 1082362979 GSZBDTODVLBISB-ZIAGYGMSSA-N 308.382 -0.416 30 20 DBED C[C@@H](O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cc(C#N)c[nH]1 1083040441 MSWULXTVLVNFHI-DDTOSNHZSA-N 304.350 -0.208 30 20 DBED C=CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CC[C@H]1NC(=O)NC1=O 1083269386 AWYPFCZTHNROHU-GRYCIOLGSA-N 322.365 -0.928 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](NC(=O)[C@H]2CN(CC)CCO2)C1 1084078172 PBCFUDJYEYZOER-QLFBSQMISA-N 311.426 -0.165 30 20 DBED CC(=O)N1CCOC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NCC#N 1085428020 IUXBJOKHJSYERQ-MCIONIFRSA-N 308.382 -0.226 30 20 DBED CC#CCN1CC[C@H]1CN(C)C(=O)c1cn(C)c(=O)n(C)c1=O 1085850209 QTEWCDGUFKASRE-LBPRGKRZSA-N 318.377 -0.746 30 20 DBED CC(=O)NCC(=O)N[C@H]1CCN(c2nc(C)cc(C#N)n2)[C@@H]1C 1091926119 CHBMRDMAYMZNPB-MFKMUULPSA-N 316.365 -0.124 30 20 DBED COC(=O)NCC(=O)N[C@H]1CCN(c2cncc(C#N)n2)[C@@H]1C 1091942275 RNIFLYHMJRNADQ-KOLCDFICSA-N 318.337 -0.212 30 20 DBED CC(C)(O)CC(=O)N[C@H]1CCN(c2ccnc(C#N)n2)C[C@@H]1O 1092146796 WBYUIDAKTBUGIK-QWRGUYRKSA-N 319.365 -0.435 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)[C@@H]3CCC(=O)N3)c3nccn32)C1 1092409414 PPVVSTWOTAYVII-RYUDHWBXSA-N 313.361 -0.633 30 20 DBED CN(C)C(=O)CC(=O)NC1[C@@H]2CN(c3cnc(C#N)cn3)C[C@@H]12 1093354675 AZKUSVZBFJMUGW-GHMZBOCLSA-N 314.349 -0.623 30 20 DBED COCCn1cc(C(=O)NCCN=c2cc[nH]c(C#N)n2)cn1 1093776327 AXFGSAHARXDTRH-UHFFFAOYSA-N 315.337 -0.545 30 20 DBED CN(CCCNC(=O)C(=O)NCC1CC1)c1cnc(C#N)cn1 1095616343 HCHKTUYENAWLTG-UHFFFAOYSA-N 316.365 -0.183 30 20 DBED C[C@@H](CC(=O)NCCCN(C)c1cnc(C#N)cn1)NC(N)=O 1095640369 NAQMRBAEFGMRLE-JTQLQIEISA-N 319.369 -0.262 30 20 DBED CCN(CCCNC(=O)C1(C(N)=O)CC1)c1cncc(C#N)n1 1095954768 IDYHTRPZWARHMR-UHFFFAOYSA-N 316.365 -0.054 30 20 DBED C[C@H](CC(N)=O)C(=O)N[C@H]1CCCN(c2cnc(C#N)cn2)C1 1096218630 KIXRKGFMDQLCOM-MNOVXSKESA-N 316.365 -0.055 30 20 DBED N#Cc1cnc(N[C@H](CNC(=O)[C@@H]2COC(=O)N2)C2CC2)cn1 1096659830 LNGCBDZGQMPNFD-MNOVXSKESA-N 316.321 -0.237 30 20 DBED C[C@@H](CNC(=O)C(=O)NCC(F)F)N=c1cc[nH]c(C#N)n1 1098135213 OWRHGGYEMOGFFR-ZETCQYMHSA-N 312.280 -0.932 30 20 DBED C[C@H](CNC(=O)[C@H]1CN(C)C(=O)N1)Nc1cncc(C#N)n1 1098213246 DTFCDAKNTBEFBB-PSASIEDQSA-N 303.326 -0.712 30 20 DBED CC#CCN(CCO)C1CCN(C(=O)[C@@H]2COC(=O)N2)CC1 1098358631 HANUKNCLNPRHHC-ZDUSSCGKSA-N 309.366 -0.597 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(CCc2cnn(C)c2)C[C@@H]1O 1099738047 HVOMJIKHQKITFY-GJZGRUSLSA-N 322.409 -0.283 30 20 DBED COCC#CCN1CC[C@H](NC(=O)C(=O)C(C)(C)C)[C@@H](O)C1 1099747285 VVSWRXYYWQJWIO-STQMWFEESA-N 310.394 -0.197 30 20 DBED O=C(C#CC1CC1)N[C@H]1CCN(CC(=O)NCC2CC2)C[C@@H]1O 1099823333 BUEMDIRGGHCSBZ-GJZGRUSLSA-N 319.405 -0.523 30 20 DBED CCc1nc(C#N)cc(N(C)CCNC(=O)[C@H](C)NC(N)=O)n1 1100025611 RPVRUNSOORAFGF-VIFPVBQESA-N 319.369 -0.480 30 20 DBED C=CCCCN1CC[C@@H](NC(=O)CN2CC(=O)NC2=O)[C@@H](O)C1 1100033418 DYQKLLRLVROHQV-NEPJUHHUSA-N 324.381 -0.944 30 20 DBED CC1(CCC(=O)N[C@H]2CCN(CC(=O)NCC#N)C[C@H]2O)CC1 1100060835 YUNVPNSYBMFLJB-QWHCGFSZSA-N 322.409 -0.242 30 20 DBED C=CCCN1CC[C@@H](NC(=O)CS(=O)(=O)C(C)C)[C@@H](O)C1 1100116364 WRTVXWBSAPYPRW-OLZOCXBDSA-N 318.439 -0.063 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)c2cnn(CC)n2)C1 1100297717 FWZKMZLWELXJLM-UHFFFAOYSA-N 318.381 -0.855 30 20 DBED CCN1C[C@@H](C(=O)NCCN(C)c2cncc(C#N)n2)CC1=O 1100384890 MFJHFGLKRGUVSQ-NSHDSACASA-N 316.365 -0.231 30 20 DBED CCN(CCNC(=O)CN(C)C(C)=O)c1ccc(C#N)nn1 1100450536 ZOZATNMUHNBNRD-UHFFFAOYSA-N 304.354 -0.231 30 20 DBED CCN(CCNC(=O)c1cnn(C)n1)c1ccc(C#N)nn1 1100562845 CSFDHXQWMMBUJW-UHFFFAOYSA-N 300.326 -0.267 30 20 DBED CCN(CCNC(=O)[C@@H]1CNC(=O)N1)c1nc(C)cc(C#N)n1 1100698817 MUXUUVLQEOIJKX-NSHDSACASA-N 317.353 -0.719 30 20 DBED COCC#CCNC1CC(CNC(=O)[C@@H]2CCN(C(C)=O)C2)C1 1100925250 DKZKMSDLUCHSIK-HWOWSKLDSA-N 321.421 -0.011 30 20 DBED CCS(=O)(=O)CC(=O)NCC1CC(NCC#CCOC)C1 1101033127 CNORSPBXWZIEJA-UHFFFAOYSA-N 316.423 -0.445 30 20 DBED CC(C)(C(N)=O)C(=O)NCCN(c1nccnc1C#N)C1CC1 1101399851 VGTNIUFZEIRDQC-UHFFFAOYSA-N 316.365 -0.055 30 20 DBED CC[C@H](CNC(=O)[C@H]1CN(C)C(=O)N1)Nc1cnc(C#N)cn1 1103261300 MLVCAELIFIKCFV-MWLCHTKSSA-N 317.353 -0.321 30 20 DBED Cc1cc(=NC[C@H](C)CNC(=O)[C@H]2COC(=O)N2)c(C#N)c[nH]1 1103945180 LZPLEBVZPSNENA-TVQRCGJNSA-N 317.349 -0.044 30 20 DBED C[C@H](CNC(=O)c1c[nH]c(=O)cn1)CNc1ccc(C#N)nn1 1104167011 JAKHADTZFZJJSW-VIFPVBQESA-N 313.321 -0.090 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)CCCC(N)=O 1104599060 SZHMMHMJKOEVDN-JTQLQIEISA-N 304.354 -0.315 30 20 DBED C#CCNCc1cn(C2CN(C(=O)CN3CCCC3)C2)nn1 1105372477 JJGHBODMMGKKCP-UHFFFAOYSA-N 302.382 -0.520 30 20 DBED C#CCCNCc1cn(C2CN(C(=O)CCCC(N)=O)C2)nn1 1105380805 GEZLBEYMTHUCQR-UHFFFAOYSA-N 318.381 -0.570 30 20 DBED CN1C[C@H](C(=O)N(C)CCN(C)c2ccncc2C#N)NC1=O 1105536332 XFTGIBHBNOUINF-GFCCVEGCSA-N 316.365 -0.129 30 20 DBED CN(CCN(C)c1ccc(C#N)nc1)C(=O)[C@@H]1CNC(=O)N1 1105541422 ZLSHTMYXQXVSLW-LBPRGKRZSA-N 302.338 -0.471 30 20 DBED COCC[C@@H](C)C(=O)NC[C@H](O)CNc1cncc(C#N)n1 1105860425 VYVARCUGSQLKAL-ZYHUDNBSSA-N 307.354 -0.090 30 20 DBED Cn1ncc(C(=O)NC[C@@H](O)CNc2ccc(C#N)nc2)n1 1105898823 SGYRJNPIXZWYSQ-NSHDSACASA-N 301.310 -0.715 30 20 DBED N#Cc1nccnc1NC[C@H](O)CNC(=O)CCn1ccnc1 1106039631 SPJOTUDACQDGPZ-LLVKDONJSA-N 315.337 -0.476 30 20 DBED N#Cc1cccnc1NC[C@@H](O)CNC(=O)[C@@H]1[C@H]2COC[C@H]21 1106062090 BYIYAWSKHCYESL-NDBYEHHHSA-N 302.334 -0.265 30 20 DBED Cc1cc(=NC[C@H](O)CNC(=O)[C@@]2(F)CCOC2)c(C#N)c[nH]1 1106073735 YGXHGJKZXOALMK-SWLSCSKDSA-N 322.340 -0.299 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@@H]1CN(C(=O)c2cnon2)C[C@H]1C 1106785468 NCZATDGXLGPEEC-IJLUTSLNSA-N 319.365 -0.495 30 20 DBED CNC(=O)C1(C(=O)NC/C=C/CNc2nccnc2C#N)CC1 1107253194 XVLRNXRFTMHFQM-NSCUHMNNSA-N 314.349 -0.041 30 20 DBED N#Cc1cncc(NC/C=C/CNC(=O)C(=O)NCC(F)F)n1 1107402887 PRJCHHBTZREZJO-OWOJBTEDSA-N 324.291 -0.186 30 20 DBED N#Cc1ccc(NC/C=C\CNC(=O)[C@@H]2CCC(=O)NC2)nn1 1107592275 BADGXGDFRGKFNZ-RFMOXSJOSA-N 314.349 -0.041 30 20 DBED C=CCN1CCO[C@](C)(CNC(=O)[C@H](C)N2C(=O)CCC2=O)C1 1107982501 BEYYMMQOFLPKIH-BLLLJJGKSA-N 323.393 -0.083 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)CCS(C)(=O)=O)C1 1108027220 PDDIZUXRYKPJRZ-CYBMUJFWSA-N 302.396 -0.739 30 20 DBED C#CCCN1CCO[C@@](C)(CNC(=O)[C@]2(C)CCC(=O)N2)C1 1108193246 CJXSEWKZQWLBDN-HOTGVXAUSA-N 307.394 -0.115 30 20 DBED Cc1cc(C#N)nc(NC[C@H](C)NC(=O)[C@H]2CN(C)CCO2)n1 1108303424 RHNPASJGUHUUSS-WCQYABFASA-N 318.381 -0.096 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)C3(CN(C)C)CC3)CC2=O)C1 1108566458 JAQYCOQHAVCKBJ-ZDUSSCGKSA-N 320.437 -0.085 30 20 DBED C[C@@H](CN(C)c1ccc(C#N)nn1)NC(=O)[C@@H]1COC(=O)N1 1108927709 XIUZFGMMJGFMFQ-WPRPVWTQSA-N 304.310 -0.602 30 20 DBED COCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1108988412 ADIMPQZREWWLHE-AGIUHOORSA-N 308.382 -0.226 30 20 DBED C[C@@H](CN(C)c1ccc(C#N)nn1)NC(=O)c1cnn(C)n1 1109016181 XKBGBELXJCOLAC-VIFPVBQESA-N 300.326 -0.269 30 20 DBED C[C@@H](CN(C)c1ccnc(C#N)n1)NC(=O)[C@@H]1CC(=O)N(C)C1 1109296693 YVOBDOWIMKBIKA-WDEREUQCSA-N 316.365 -0.233 30 20 DBED CN(CCCNc1cncc(C#N)n1)C(=O)CN1CCOCC1 1109409358 YUTPJDRNPRCLPB-UHFFFAOYSA-N 318.381 -0.059 30 20 DBED CC1(CNC(=O)CC(N)=O)CCN(c2cnc(C#N)cn2)CC1 1110869227 KRSGCEGDUPUCCF-UHFFFAOYSA-N 316.365 -0.054 30 20 DBED C=CCCC(=O)N(CCO)CCNc1nccn2nnnc12 1111428180 PTBVGFRUKLGTDZ-UHFFFAOYSA-N 305.342 -0.282 30 20 DBED CCN(CC)CC(=O)N(CCO)CCNc1cncc(C#N)n1 1111481078 XSPSIZDTJSZZQI-UHFFFAOYSA-N 320.397 -0.077 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1[nH]cnc1C 1111516079 ALJZOKXPMBQTRE-UPJWGTAASA-N 315.377 -0.197 30 20 DBED CC(C)(O)CC(=O)NC[C@@H]1COCCN1c1nccnc1C#N 1111678293 YIDPRQQLWWPTOR-LLVKDONJSA-N 319.365 -0.169 30 20 DBED CC(=O)NCC(=O)N(C)CCCN(C)c1ccnc(C#N)n1 1112028504 PNSRRAHZYOMQPI-UHFFFAOYSA-N 304.354 -0.231 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CCC[C@]2(CNCC(=O)NC(N)=O)C1 1112286761 GUFWOWAMSHQEED-ZETOZRRWSA-N 321.381 -0.441 30 20 DBED CNC(=O)CC(=O)NC[C@H]1CN(c2ccc(C#N)nc2)C[C@@H]1O 1112709143 FWKVTEKDBXMDII-GWCFXTLKSA-N 317.349 -0.997 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)Cc2nnc(C)o2)CC1 1112818680 PRCBTOVVKBWJED-UHFFFAOYSA-N 307.354 -0.633 30 20 DBED C#CCO[C@H](C)C(=O)N1CCN(Cc2cnnn2CC)CC1 1112845028 QXMTXECDMIYSTI-CYBMUJFWSA-N 305.382 -0.020 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)c2[nH]nnc2C)CC1 1113181833 JFNMEGFQWUINPM-LLVKDONJSA-N 306.370 -0.438 30 20 DBED C[C@H](NC(=O)c1cnnc(O)c1)[C@@H](C)N=c1cc[nH]c(C#N)n1 1113195339 BLDQRPWUJOWNGC-BDAKNGLRSA-N 313.321 -0.115 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)C3(C4CC4)CC3)[C@H]2C1 1114436654 LKDMCVQZUHNQRI-STQMWFEESA-N 301.390 -0.028 30 20 DBED C#CCNC(=O)CC(=O)NCC1[C@H]2CN(c3ncccn3)C[C@H]12 1114533866 WAOBRRWLBZPFJY-CHWSQXEVSA-N 313.361 -0.586 30 20 DBED CC#CCN1C[C@@H]2C(NC(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)[C@H]2C1 1114596256 RUIQNPXKGLFDFK-RFGFWPKPSA-N 319.405 -0.131 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N1CCCS(=O)(=O)CC1 1116534295 HYSOPFVDSMIKKZ-UHFFFAOYSA-N 324.424 -0.583 30 20 DBED C#Cc1ccc(C(=O)NCC2(O)CCS(=O)(=O)CC2)cn1 1117132290 XBXKQGNFWVFUKJ-UHFFFAOYSA-N 308.359 -0.268 30 20 DBED C#CCOCCNC(=O)C(=O)N1CC[C@H](COCCOC)C1 1117436841 QPXZVQZMZNCXMM-ZDUSSCGKSA-N 312.366 -0.736 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)NCc1cccn(CC)c1=O 1117543264 DXHVDRDUEMONEB-LBPRGKRZSA-N 307.350 -0.198 30 20 DBED C=CCS(=O)(=O)CCNC(=O)[C@@H]1CCc2nnnn2CC1 1118247114 XPMMLSMSUJKWLS-SNVBAGLBSA-N 313.383 -0.657 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N1CCC[C@@H]1C1OCCO1 1119892496 KQISOIJIZOHMDT-CHWSQXEVSA-N 324.377 -0.105 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H](CO)Nc2cnc(C#N)cn2)c1 1121266454 VCXMTRVABVDDRI-LLVKDONJSA-N 311.305 -0.249 30 20 DBED Cn1ccc(C(=O)NC[C@@H](CO)Nc2ccc(C#N)nn2)c1 1121295453 CRYNBPBICZDUJY-LBPRGKRZSA-N 300.322 -0.110 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@H](CO)N=c1cc(C)[nH]cc1C#N 1121405695 OVHMDKVMFLHNOF-XJKSGUPXSA-N 318.377 -0.100 30 20 DBED CC[C@H](C(=O)NC[C@@H](CO)Nc1ccc(C#N)nn1)N(C)C 1121812656 NTAKZYUVRLZCHN-NWDGAFQWSA-N 306.370 -0.423 30 20 DBED N#Cc1cncc(N[C@H](CO)CNC(=O)c2cnnc(O)c2)n1 1122158443 PLZAPGHOWKNILW-JTQLQIEISA-N 315.293 -0.953 30 20 DBED N#Cc1c(F)cccc1N[C@H](CO)CNC(=O)C1(C(N)=O)CC1 1122451018 DBQKYQCNFGLTRP-VIFPVBQESA-N 320.324 -0.148 30 20 DBED Cc1cc(NC[C@@H](O)CN(C)C(=O)[C@@H](C)C#N)nc(CO)n1 1124191032 KFZPZLBVTXSZEQ-GXSJLCMTSA-N 307.354 -0.332 30 20 DBED CCNC(=O)CC(=O)N(C)C[C@H](O)CNc1ncccc1C#N 1124315018 OJNCAAAZKNGEFD-GFCCVEGCSA-N 319.365 -0.289 30 20 DBED C[C@H](C#N)C(=O)NCCN[C@H]1CCCN(c2cnn(C)c2)C1=O 1124903178 OXPDKJHQJRQEAD-YPMHNXCESA-N 318.381 -0.219 30 20 DBED CN(C[C@@H](O)CN(C)c1ccc(C#N)nc1)C(=O)c1nc[nH]n1 1125139918 QLBULHQZUZSPGS-LBPRGKRZSA-N 315.337 -0.359 30 20 DBED N#Cc1c[nH]c(C(=O)NCCNCC(=O)NC[C@@H]2CCCO2)c1 1125390922 JNDCIPLLUDTZME-LBPRGKRZSA-N 319.365 -0.499 30 20 DBED C[C@H](NCCNC(=O)C#CC1CC1)C(=O)NC[C@H]1CCCO1 1126886522 VRUKISSUUUSPHY-GXTWGEPZSA-N 307.394 -0.211 30 20 DBED C#CCNC(=O)CNCCNC(=O)CCc1cnn(C)c1C 1128344813 CSSOKLGGZCWLRS-UHFFFAOYSA-N 305.382 -0.884 30 20 DBED CO[C@@H]1CCC[C@@H](CC(=O)NCCNCC(=O)NCC#N)C1 1129143056 OGVQRZLFJNYGQI-CHWSQXEVSA-N 310.398 -0.073 30 20 DBED C#CCCN1C[C@H]2C[C@H]3CN(C(=O)[C@H](C)NC(N)=O)C[C@@]3(C1)O2 1131217591 QLEJKDCNRSJSGL-BCUIYNNISA-N 320.393 -0.632 30 20 DBED C#CCOCCC(=O)N1CCC(=O)NCCN(CC#C)CC1 1131360436 UTLJMMIOFXNJTR-UHFFFAOYSA-N 305.378 -0.690 30 20 DBED C=CC(C)(C)C(=O)NCCNCCN1CCCS1(=O)=O 1132391851 PXXGNKGFXWJZPK-UHFFFAOYSA-N 303.428 -0.060 30 20 DBED C=CCCCC(=O)NCCNCC(=O)N1CCC(C(N)=O)CC1 1133145000 LACZLWIVMZGMLJ-UHFFFAOYSA-N 324.425 -0.228 30 20 DBED C=C(Cl)CNCCNC(=O)Cn1ncn2nccc2c1=O 1134672957 GFSYIKRYYXVJTF-UHFFFAOYSA-N 310.745 -0.651 30 20 DBED C=CCn1cc(C(=O)NCCNCc2nnnn2C2CC2)nn1 1134983369 OLFWODHGPLNWMJ-UHFFFAOYSA-N 317.357 -0.695 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)Cn1cncc1C 1135028892 JWPHJBOBHUEAJL-QWHCGFSZSA-N 319.409 -0.186 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)CCc2ncccn2)C1=O 1135556438 NWAVASGZBRUPCZ-ZDUSSCGKSA-N 317.393 -0.098 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CN(Cc2cnnn2C)CCCO1 1149406607 JMAQOXVBLIYUMY-AAEUAGOBSA-N 306.370 -0.318 30 20 DBED C#CCNC(=O)CN1CCCO[C@H](CNC(=O)[C@H](C)C#N)C1 1149406703 KAGHYWBEDDAJSI-CHWSQXEVSA-N 306.366 -0.897 30 20 DBED C#CCCN1CCCO[C@@H](CNC(=O)[C@]2(C)CNC(=O)C2)C1 1150023251 SUZFBPNUMDLDHI-BBRMVZONSA-N 307.394 -0.257 30 20 DBED C=C(C)CN(CC)C(=O)CNCCNC(=O)CCNC(N)=O 1150424438 SMCTVIWKCNHIFE-UHFFFAOYSA-N 313.402 -0.825 30 20 DBED Cc1cc(NC(=O)C(=O)NC[C@@H]2CN(CC#N)CCCO2)no1 1150707402 XFPOGVMSDMLXNM-LLVKDONJSA-N 321.337 -0.348 30 20 DBED C#CCN1CCC(CCOC)(NC(=O)CCn2cnnn2)CC1 1151367599 MRMSABFWBFMXIH-UHFFFAOYSA-N 320.397 -0.316 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)[C@@]1(F)CCOC1 1154826041 LLPNKIAUDLMRQL-IUODEOHRSA-N 313.373 -0.309 30 20 DBED N#CCNC(=O)CNCCCNC(=O)[C@@H]1CCn2ccnc2C1 1161315662 RQPSCELWDNDLDP-GFCCVEGCSA-N 318.381 -0.819 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)c2c[nH]c(=O)cn2)C1=O 1165301743 NZJAVHQXHQMEON-LLVKDONJSA-N 319.365 -0.734 30 20 DBED CC[C@H]1CCCN1C(=O)C(=O)NCCCNCC(=O)NCC#N 1170477912 WUKPHRZIYKUAJI-LBPRGKRZSA-N 323.397 -0.877 30 20 DBED C#CCNC(=O)CNCCCNC(=O)C[C@H](C)N1CCCC1=O 1171003832 XWJNFPNSYPGJHJ-ZDUSSCGKSA-N 322.409 -0.767 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)CNC(=O)CCC)C[C@H]21 1176943955 RWZHYSBEMSJMOV-ZIAGYGMSSA-N 307.394 -0.162 30 20 DBED CNC(=O)C1(C(=O)N2CC[C@H]3OCCN(CC#N)[C@@H]3C2)CCC1 1177139667 SWSLMNHDXUPULU-CHWSQXEVSA-N 320.393 -0.272 30 20 DBED CC(=O)NCC(=O)NCC(=O)NCCCCCCNCC#N 1178846377 KDEDWUVRYAQMHJ-UHFFFAOYSA-N 311.386 -0.972 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@@H](NCC(=O)N(C)C2CC2)C1 1182473736 YMUXULPMKOWHAS-QWHCGFSZSA-N 307.394 -0.164 30 20 DBED Cc1cc(C(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)nc(C)n1 1186304284 MYWMIDCSMVQTAG-GFCCVEGCSA-N 316.365 -0.463 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](N(C)Cc2cnon2)C1 1189761440 ZOYCFCKQUZMDNU-LBPRGKRZSA-N 305.338 -0.758 30 20 DBED COC1CC(C(=O)N2CC[C@H](N(C)CC(=O)NCC#N)C2)C1 1190818179 OXKISKMGOCEMNT-CPCZMJQVSA-N 308.382 -0.416 30 20 DBED C=CCCC(=O)N[C@@H]1CN(CC(=O)NCCCOC)C[C@H]1O 1191714326 CBDTZCBRSPUUQR-CHWSQXEVSA-N 313.398 -0.733 30 20 DBED CC(C)(C)[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1O 1194631901 LOUJJDHQYIWEEX-FDYHWXHSSA-N 322.409 -0.530 30 20 DBED C#CCNC(=O)[C@H](C)N1CCCN(C(=O)c2cnns2)CC1 1194999583 KJGCZYQZZGDXHX-NSHDSACASA-N 321.406 -0.176 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)CCc2cn[nH]c2)C1 1196812846 YSASFGINAXIBHV-ZIAGYGMSSA-N 308.382 -0.294 30 20 DBED Cn1cnnc1COCC(=O)N1CCCO[C@H](CNCC#N)C1 1201758479 NIOUVESCMPVZKY-GFCCVEGCSA-N 322.369 -0.938 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@H](NC(=O)c2cnn[nH]2)C12CCC2 1203116207 YGGGMYAOAFIOOQ-RYUDHWBXSA-N 316.365 -0.815 30 20 DBED CNS(=O)(=O)CCC(=O)N1C[C@H]2CC[C@H]1[C@@H](NCC#N)C2 1204343785 IUXMEKWWJREBEH-SRVKXCTJSA-N 314.411 -0.582 30 20 DBED C=CCNC(=O)CN[C@H]1C[C@H]2CC[C@H]1N(C(=O)c1cnn[nH]1)C2 1204520528 RSMGJVLXAOQXEL-NTZNESFSSA-N 318.381 -0.310 30 20 DBED CCO[C@@H]1C[C@H]1C(=O)N1CCC(CNCC(=O)NCC#N)CC1 1204615167 XNTQWROKMRLLTH-ZIAGYGMSSA-N 322.409 -0.121 30 20 DBED C#CCOCCC(=O)N1CCC(CN[C@H]2CCNC2=O)CC1 1205259152 ULLZUDMBVAMZEQ-AWEZNQCLSA-N 307.394 -0.257 30 20 DBED CC#CCNCC1CCN(C(=O)c2cnc(O)n(C)c2=O)CC1 1205846697 VBTHEXLLJSFCNH-UHFFFAOYSA-N 318.377 -0.049 30 20 DBED N#CCNC(=O)CNCC1CCN(C(=O)Cc2ncc[nH]2)CC1 1206684028 USVUPZUEFJCDHV-UHFFFAOYSA-N 318.381 -0.580 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)c2cc(C)n(C)n2)C1 1207545630 CIGMTIRDVWYAFQ-ZDUSSCGKSA-N 317.393 -0.328 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@H](NCCC[C@H](C)O)C1 1207872150 LEMDOGJZNZCOOF-KBPBESRZSA-N 309.410 -0.133 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)CCn1ccnc1 1208252020 ARAXPPGUMQEJRL-CHWSQXEVSA-N 318.381 -0.651 30 20 DBED C=C(C)CN[C@@H]1CCCN(C(=O)CNS(=O)(=O)NC)C1 1208758629 MEMHUPNFTCOKSS-LLVKDONJSA-N 304.416 -0.803 30 20 DBED C=CCN[C@@H]1CCCN(C(=O)CNC(=O)Cn2cncn2)C1 1211233842 QAUFNYHDMDGFRD-GFCCVEGCSA-N 306.370 -0.839 30 20 DBED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)C1(C)CCC1 1213266753 IBYFKOQPGLDCNA-VXGBXAGGSA-N 308.382 -0.368 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(CC[C@H]2CCCO2)C[C@@H]1O 1219609362 NTRUQKQLVKBEDB-KFWWJZLASA-N 310.394 -0.243 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)C(C)(C)S(C)(=O)=O)C1 1220457146 BBOBLTBWKMAVIK-MNOVXSKESA-N 304.412 -0.453 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)c2coc(C3CC3)n2)C1 1220497010 UMRMVHGWKAFJEL-OCCSQVGLSA-N 319.361 -0.023 30 20 DBED C=CCN(CC=C)C(=O)CN1CCC(CNC(=O)C(N)=O)CC1 1224312287 NEYCOPBZOBYHHT-UHFFFAOYSA-N 322.409 -0.500 30 20 DBED N#CCNC(=O)CN1CCC(NC(=O)CC2(O)CCC2)CC1 1227253292 YFDXDCSFDXMIKA-UHFFFAOYSA-N 308.382 -0.488 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1ncccn1 1229255059 UMSWHMNXSXEEGM-VXGBXAGGSA-N 316.365 -0.253 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC[C@H]1CN(C)C(=O)CNC(=O)CC 1231270695 BPPKZFDOMGDQHJ-OLZOCXBDSA-N 324.425 -0.264 30 20 DBED C=C(C)CN(CC)C(=O)CN1CC[C@@H]1CN(C)C(=O)CC(N)=O 1231398582 KGKAPTBNOMQXHW-CYBMUJFWSA-N 324.425 -0.181 30 20 DBED C#CCNC(=O)CN(C)CCCNC(=O)c1cc(CC)[nH]n1 1234204317 CSFQNPVJSJUKOP-UHFFFAOYSA-N 305.382 -0.227 30 20 DBED C#CCOCCC(=O)N(C)C[C@@H]1CCN1Cc1nncn1C 1234254855 FLWXALKYAATBFI-ZDUSSCGKSA-N 305.382 -0.112 30 20 DBED CCNS(=O)(=O)[C@H]1CCN(C(=O)[C@H](N)CCCC#N)C1 1261455797 BURACEKTUFZXNH-WDEREUQCSA-N 302.400 -0.452 30 20 DBED N#CCCCNC(=O)NCCNS(=O)(=O)Cc1ccon1 1323727520 GVPFOAQAEMMGJU-UHFFFAOYSA-N 315.355 -0.303 30 20 DBED COCCCN1CCC(NC(=O)NCC(=O)NCC#N)CC1 1323827861 QQQCEHOUCPJMFL-UHFFFAOYSA-N 311.386 -0.574 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)NC1CCC(C(=O)NC)CC1 1325907784 YXNFSZPFGABNCY-MOENNCHZSA-N 311.382 -0.275 30 20 DBED CN(CCN1CCOCC1)C(=O)C(=O)NCC1(CC#N)CC1 1326145082 SKHFLIMVARJUEM-UHFFFAOYSA-N 308.382 -0.413 30 20 DBED CCN(CCCN(C)C)C(=O)C(=O)N1CC[C@](O)(CC#N)C1 1327039039 KUAROYCSKRZXMP-OAHLLOKOSA-N 310.398 -0.336 30 20 DBED C#CCOCCNC(=O)C(=O)N[C@@H]1COc2ccccc2C1 1327696187 JYCVPJIRTKEYNB-ZDUSSCGKSA-N 302.330 -0.128 30 20 DBED CN[C@H]1CCCN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1 1329382960 MMALEECOQYXJMA-JSGCOSHPSA-N 319.409 -0.604 30 20 DBED CCN(CCOCCC#N)CC(=O)N[C@@H]1CCS(=O)(=O)C1 1330326904 FFDXYWYEHKEAFW-GFCCVEGCSA-N 317.411 -0.458 30 20 DBED CNC(=O)[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](CC#N)C2)CCO1 1330418416 MEVWHYLHNKPJOD-NEPJUHHUSA-N 322.365 -0.888 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N1CCC[C@@H](C(=O)NC)C1 1330428876 GGBSPSSUEBDZIF-CHWSQXEVSA-N 323.393 -0.484 30 20 DBED C#CCCCCNC(=O)C(=O)N1CCC(C(=O)NCCO)CC1 1330640652 AYYYEIZWJXHFOV-UHFFFAOYSA-N 323.393 -0.747 30 20 DBED C[C@@H]1C[C@H](O)CN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1 1335584078 JXTCXPZISBFIEU-XBFCOCLRSA-N 320.393 -0.586 30 20 DBED O=C1NC(=O)C2(CCC(=NNCCCN3CCOCC3)CC2)N1 1339883637 FQXGDXMEYCVLJJ-UHFFFAOYSA-N 323.397 -0.194 30 20 DBED COC(=O)CNC(=O)[C@H]1CCCN1C(=O)c1ccc(C#N)cn1 1361526233 SAPXVKBCMJFADV-GFCCVEGCSA-N 316.317 -0.153 30 20 DBED COC(=O)C[C@H]1C(=O)NCCN1C(=O)c1cc(C#N)[nH]c1C 1362039251 AFAJPSHYXOMJCZ-NSHDSACASA-N 304.306 -0.302 30 20 DBED Cn1cc(C[C@H](CO)NS(=O)(=O)c2ccc(C#N)nc2)cn1 1365716025 NOODLGXWUYPDRW-GFCCVEGCSA-N 321.362 -0.431 30 20 DBED COC[C@@H](O)CN[C@H]1C[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 1365836725 SNRLWPFICFHREA-DRZSPHRISA-N 306.366 -0.008 30 20 DBED N#Cc1cn(CCNC(=O)NCCc2ccco2)c(=O)nc1O 1367689189 RTOZOEQGKAMKMU-UHFFFAOYSA-N 317.305 -0.045 30 20 DBED CC(=O)N(C)CC(=O)N[C@@H](C)CNC(=O)c1c[nH]c(C#N)c1 1377464995 YQXFFDSEAVHVLC-VIFPVBQESA-N 305.338 -0.401 30 20 DBED COc1cnc(C(=O)N2CC[C@H](NC(=O)[C@@H](C)C#N)C2)nc1 1385866202 PPMVZZUXWPLELS-UWVGGRQHSA-N 303.322 -0.024 30 20 DBED C[C@H](C#N)C(=O)NC1CN(C(=O)c2ccnc3c2nnn3C)C1 1387805690 HVLDPEMNQJXGMF-MRVPVSSYSA-N 313.321 -0.536 30 20 DBED N#Cc1cc(C(=O)NC2(CNC(=O)[C@@H]3COC(=O)N3)CC2)c[nH]1 1393625447 GOBVCFWBJNUUJE-JTQLQIEISA-N 317.305 -0.627 30 20 DBED C=C(Cl)CNC[C@@H](O)CNC(=O)c1cncc(OC)n1 1401567230 VBGPMLLDSARQMX-SECBINFHSA-N 300.746 -0.082 30 20 DBED CC(C)OCCC(=O)NC[C@@H](O)CNC(=O)c1ccc(C#N)[nH]1 1410050118 HSMRBKMFIGFCSJ-GFCCVEGCSA-N 322.365 -0.092 30 20 DBED C[C@@H](C#N)C(=O)NCC1CN(C(=O)C[C@@H]2CCC(=O)N2C)C1 1416121115 RNFKCKTVYDBLBL-JQWIXIFHSA-N 306.366 -0.268 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H](C)CNC(=O)c1ccc(C(N)=O)nc1 1424181496 AMPYEDVKBCRNAG-NXEZZACHSA-N 317.349 -0.083 30 20 DBED Cc1[nH]c(C#N)cc1C(=O)N(CCO)CCN1CCOCC1 1433827368 JNWMCNZAVVXLJK-UHFFFAOYSA-N 306.366 -0.039 30 20 DBED C[C@H](C#N)C(=O)N(C)C[C@@H]1CCCN1C(=O)C1(NC(N)=O)CC1 1508283661 TXUAUYXUQDITTE-MNOVXSKESA-N 321.381 -0.204 30 20 DBED Cn1cc(-c2nn[nH]n2)c(NC(=O)N2CC[C@@](O)(CC#N)C2)n1 1570921091 NJXCKPQVNFJGHJ-LBPRGKRZSA-N 317.313 -0.517 30 20 DBED C#Cc1ccc(C(=O)N2CC(NC(=O)[C@H]3C[C@@H]3C(=O)O)C2)cn1 1573312176 NRVDBSWPGGDYIH-STQMWFEESA-N 313.313 -0.276 30 20 DBED C[C@H](C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N)C1CNC1 1575071239 HMPZPVYORTXQCG-VIFPVBQESA-N 304.354 -0.088 30 20 DBED N#Cc1cccc(CNC(=O)CN2CCC[C@@](N)(CO)C2)c1 1580076157 PDJCSYJVIIOMKX-INIZCTEOSA-N 302.378 -0.040 30 20 DBED C=CCN(C(=O)C(=O)N1C[C@@H]2C[C@@H](N)C[C@]2(C(=O)O)C1)C1CC1 1588819964 KTMIYRAVINMHPI-USBNGQNGSA-N 321.377 -0.186 30 20 DBED C=C[C@H](CO)NC(=O)C(=O)Nc1ccc(C(=O)O)cc1OC 1588919589 FELSZTRSVXUGKK-SECBINFHSA-N 308.290 -0.005 30 20 DBED N#CCN1CC[C@@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)[C@@H]2C1 1592677845 KCSUYFOUOZNDEW-BXKDBHETSA-N 312.337 -0.135 30 20 DBED C#CCN(CC(=O)O)c1nnnn1Cc1c(C)nn(C)c1C 1602701126 XRNJILPVDJTMNV-UHFFFAOYSA-N 303.326 -0.404 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1602864120 XPXLRYZUTPOCRR-GHMZBOCLSA-N 303.326 -0.844 30 20 DBED CCN(CCC#N)C(=O)CN1C[C@@H](C(=O)OC)[C@@H](C(=O)O)C1 1605438351 YOLVSQBNKSQPBW-WDEREUQCSA-N 311.338 -0.446 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)Cc2ccc[nH]2)C1 1714334888 FHUCVEJVNXCTIO-OCCSQVGLSA-N 302.378 -0.114 30 20 DBED C[C@@H](C#N)C(=O)N1CCCC[C@H]1CNCCN1C(=O)CNC1=O 1752826458 PMNNBAKDJVNERK-RYUDHWBXSA-N 321.381 -0.331 30 20 DBED COCC#CCN[C@H](C)CNC(=O)[C@@H](OC)c1cnn(C)c1 1752890453 OECPWJMJFSKZLM-OCCSQVGLSA-N 308.382 -0.148 30 20 DBED C#CCNC(=O)CNC[C@@H]1CCN(C(=O)Cc2ncc[nH]2)C1 1752954416 SBPUDNQSDVZQCA-LBPRGKRZSA-N 303.366 -0.860 30 20 DBED CCn1nncc1C(=O)NCC[C@@H](C)NCC(=O)NCC#N 1753004915 SOLSGHIPFPXZMN-SNVBAGLBSA-N 307.358 -0.964 30 20 DBED N#CCN(CCNC(=O)Cc1ccc(C(N)=O)nc1)C1CC1 1753156145 XJYBQQKKNMISHN-UHFFFAOYSA-N 301.350 -0.173 30 20 DBED C=C(C)CCNCCN(C)C(=O)Cn1ncn2nccc2c1=O 1753237888 PSEUFESXBWEUKM-UHFFFAOYSA-N 318.381 -0.095 30 20 DBED C=CCNC(=O)[C@H](C)N1CC(NC(=O)C[C@@H]2CCNC2=O)C1 1753378462 JJCFEBQESFLHGX-QWRGUYRKSA-N 308.382 -0.996 30 20 DBED C=CCNC(=O)CN1CC(NC(=O)Cc2c(C)nn(C)c2C)C1 1753383191 BLRGTVDBJPIDOB-UHFFFAOYSA-N 319.409 -0.318 30 20 DBED C=C(C)CN1CC[C@@H](N(CC)C(=O)CNS(=O)(=O)NC)C1 1753462614 WPCRCOORUCPSPY-GFCCVEGCSA-N 318.443 -0.461 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@H](O)CNC(=O)Cc1cccs1 1753903575 UFSFHRQAAPKHKJ-RYUDHWBXSA-N 323.418 -0.505 30 20 DBED COCC#CCNC[C@H](O)CNC(=O)c1cnc2ccccn12 1753917970 QSQCXULBOYQCES-ZDUSSCGKSA-N 316.361 -0.336 30 20 DBED C#CCNC(=O)[C@@H](C)NC/C=C/CNC(=O)c1coc(OC)n1 1754153812 MZJATZHIKYKPJZ-MVIFTORASA-N 320.349 -0.303 30 20 DBED N#CCNC(=O)CN1C[C@H]2C[C@H]1[C@@H]2NC(=O)C1=CCOCC1 1754423190 CBSZHCBSMHDZAE-MBNYWOFBSA-N 304.350 -0.838 30 20 DBED C#CCN1CCC(C)(NC(=O)CN2C(=O)CN(C)C2=O)CC1 1754630757 BOFUKAHRZSEDEO-UHFFFAOYSA-N 306.366 -0.516 30 20 DBED COCC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CNC(=O)N1 1754868977 RESNNSUELOASFX-MGPQQGTHSA-N 320.393 -0.617 30 20 DBED C#CCOCCC(=O)N1CCC[C@@](CO)(NCc2cnon2)C1 1755083396 QJCXQJXXXNVNDS-OAHLLOKOSA-N 322.365 -0.447 30 20 DBED C[C@H](NC(=O)CSCC#N)C1CN([C@@H]2CCN(C)C2=O)C1 1755371518 YESDVYNPMUFFGZ-CMPLNLGQSA-N 310.423 -0.090 30 20 DBED C=CCN(C)C[C@H](O)CN(C)C(=O)[C@H]1CCc2nnn(C)c2C1 1755805581 XVGUYTOQGIRNEY-STQMWFEESA-N 321.425 -0.143 30 20 DBED CC#CCN(C)C[C@@H](O)CN(C)C(=O)Cn1nnnc1C(C)C 1755806453 GFQNIWBXPVGPOM-CYBMUJFWSA-N 322.413 -0.429 30 20 DBED N#CCNCCC(=O)NC[C@H]1CCCCN1C(=O)c1nc[nH]n1 1755867429 MCKVTDGBZVTIDE-LLVKDONJSA-N 319.369 -0.581 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H](CO)CNC(=O)c1cnnc(C)c1 1756515241 IGGKWIHYYUUZBH-DGCLKSJQSA-N 320.349 -0.970 30 20 DBED C=CCOCC(=O)NC[C@H](CO)NC(=O)c1cc(C)n(C)n1 1756518918 PCOFGWNMTJSHQQ-LLVKDONJSA-N 310.354 -0.862 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)C#CC1CC1 1756530957 WWTSNKXYTAMQES-GJZGRUSLSA-N 317.389 -0.909 30 20 DBED C=C[C@@H](CC)CC(=O)N[C@H](CO)CNC(=O)c1cnn(C)n1 1756536652 PRGFFJDAPBHYEP-QWRGUYRKSA-N 309.370 -0.376 30 20 DBED C=CCOCC(=O)N[C@@]12CCC[C@H]1N(C(=O)CNC(N)=O)CC2 1756608032 LAWBFUSPWCTDSF-IAQYHMDHSA-N 324.381 -0.503 30 20 DBED CNC(=O)C1(C(=O)N(CCNC(=O)[C@H](C)C#N)CCOC)CC1 1756729476 RAGMFTXJVVUZQI-LLVKDONJSA-N 324.381 -0.737 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(C(=O)Cc2ccc[nH]2)C[C@H]1O 1756997385 QACWVGSMHDYKMB-MRVWCRGKSA-N 319.361 -0.717 30 20 DBED N#CCCC(=O)N1CCCC12CN(C(=O)[C@@H]1CCC(=O)N1)C2 1842812650 BMEMEPBAOKNTKY-NSHDSACASA-N 304.350 -0.228 30 20 DBED C[C@@H](S)C(=O)N1CCCC12CN(C(=O)Cn1cnnn1)C2 1846367561 BGKFLHXBCLVTQU-SECBINFHSA-N 310.383 -0.805 30 20 DBED CCN1CCN(CC(=O)[C@@H](C#N)c2ccccn2)C(=O)C1=O 76321525 MFAYHGPZDGBYCA-NSHDSACASA-N 300.318 -0.051 30 20 DBED CC(C)(C#N)C(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 172523907 XYYXWCRWFKRREN-LBPRGKRZSA-N 308.382 -0.415 30 20 DBED COC(=O)CN(CC#N)Cc1nn2c(=O)cc(C)nc2s1 177617541 TZANAXLMUBPKND-UHFFFAOYSA-N 307.335 -0.042 30 20 DBED COCCNC(=O)C/N=C(\N)NCCc1ccc(OC)cc1 264118467 QNNKMVARSUVHMM-UHFFFAOYSA-N 308.382 -0.095 30 20 DBED CC(C)[C@H](C#N)NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 264731151 HZKAWDKXBTXZTP-VIFPVBQESA-N 318.337 -0.902 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CCCOC2)CC1 265073626 VXTUQRHWZONFEX-AWEZNQCLSA-N 307.394 -0.303 30 20 DBED N#C[C@H]1COCCN1CC(=O)c1c(O)nc(=O)n(C2CC2)c1N 266878814 VSGHRNLAWXZFFX-VIFPVBQESA-N 319.321 -0.727 30 20 DBED N#C[C@@H]1COCCN1C(=O)CNC(=O)Cc1ccc(O)cc1 274229632 KPSHQPPYPSBVPY-GFCCVEGCSA-N 303.318 -0.198 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@@H](OC)C2CC2)CC1 280979572 SDQVJWQWOFDUQL-HNNXBMFYSA-N 307.394 -0.305 30 20 DBED C[C@@H](NC(=O)C(=O)N1CCNC(=O)C1)c1ccc(C#N)cc1 283890190 HIAIQEVGFUHWCW-SNVBAGLBSA-N 300.318 -0.306 30 20 DBED CN1CN(/C(O)=N/[C@H]2CCN(CC(F)(F)F)C2=O)CC1=O 329596363 CBKDQTVCKOZYOD-ZETCQYMHSA-N 308.260 -0.205 30 20 DBED CC1CCN(C[C@H](O)CNC(=O)[C@@H](C)n2cnc(C#N)n2)CC1 336989880 KEUHIXOQQIYVFL-CHWSQXEVSA-N 320.397 -0.080 30 20 DBED C=CCOC[C@@H](NS(=O)(=O)N1CC[C@@H](C)C1)C(=O)OC 360605200 QOZXOVMMWVLPQX-GHMZBOCLSA-N 306.384 -0.093 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@H]1CCCCNC1=O 407953118 KXHUXQFDDLYFOT-QWRGUYRKSA-N 302.400 -0.029 30 20 DBED COC(=O)CCN1CCN(S(=O)(=O)[C@@H](C)C#N)[C@@H](C)C1 416457021 NHZFDDHOLZPOJO-QWRGUYRKSA-N 303.384 -0.203 30 20 DBED CN[C@@H](C)CNC(=O)C(=O)N1CC(Oc2ccc(C#N)cc2)C1 420148965 URTDCRZGXHEKFS-NSHDSACASA-N 316.361 -0.128 30 20 DBED C=CCC[C@@H](O)CN1CCOC[C@@H]1C(=O)NCC(=O)OCC 444616544 OOLBMTYRFHRYHU-CHWSQXEVSA-N 314.382 -0.306 30 20 DBED C[C@@H](C#N)S(=O)(=O)N1CCN(S(=O)(=O)C2CC2)CC1 528471821 ZGPBODPMBBZMKA-VIFPVBQESA-N 307.397 -0.662 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)NCc1nc(C(N)=O)co1 594803441 NFWBEDKLRHDISS-ZETCQYMHSA-N 301.328 -0.801 30 20 DBED CCc1nc(C#N)cc(NCC(=O)N2CCN(CC)CC2)n1 596110431 NZSQQHGNAWOFOI-UHFFFAOYSA-N 302.382 0.487 30 20 DBED CN(C)S(=O)(=O)NCCNC(=O)N1CCC(C)(C#N)CC1 596613405 CVBFTBCMSLZUEU-UHFFFAOYSA-N 317.415 -0.282 30 20 DBED C[C@H]1C[C@@H](NC(=O)C(=O)N2CCN(CCC#N)CC2)CCN1C 602244188 BDPOXUUBMHDAPE-KBPBESRZSA-N 321.425 -0.357 30 20 DBED CCN1C(=O)[C@@H]2CN(C(=O)NCC3(C#N)CC3)CCN2C1=O 619534469 NCANVYLVPFKXBP-JTQLQIEISA-N 305.338 -0.032 30 20 DBED CC#CC[C@@H](CO)NC(=O)N[C@H](CC)CNS(C)(=O)=O 645526441 YTROFDOYXHUMCF-MNOVXSKESA-N 305.400 -0.612 30 20 DBED CC#CC[C@@H](CO)NC(=O)c1nnn(-c2cnn(C)c2)c1C 649181261 XIQHEDCNZWKYPI-NSHDSACASA-N 302.338 -0.187 30 20 DBED C=C[C@@H](O)C(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 668593491 ZLEJLNAUQYOWGU-GHMZBOCLSA-N 306.384 -0.862 30 20 DBED CNS(=O)(=O)c1csc(C(=O)OCC(=O)NCC#N)c1 748913061 FFAXCILBIFOCKI-UHFFFAOYSA-N 317.348 -0.547 30 20 DBED C#CCN1CCN(C(=O)Cn2nc3c(cc2=O)CCCC3)CC1 749874754 XCLXFMDLLNUPHY-UHFFFAOYSA-N 314.389 -0.101 30 20 DBED C#CCNC(=O)c1ccccc1NC(=O)CCNS(C)(=O)=O 751368327 BDOOWOFTPFWGRL-UHFFFAOYSA-N 323.374 -0.073 30 20 DBED CN(CCN1CCOCC1)c1cccc(S(N)(=O)=O)c1C#N 754992904 JLERTMZZTQPMMD-UHFFFAOYSA-N 324.406 -0.026 30 20 DBED C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)n1ncc(C#N)c1N 755735677 MTUPUIOMORTXPK-SSDOTTSWSA-N 323.338 -0.922 30 20 DBED C#CCCS(=O)(=O)N(CCN1CCOCC1)CC(=O)OC 798228995 VRRVZVUOEXETOZ-UHFFFAOYSA-N 318.395 -0.853 30 20 DBED COC[C@H](NC(=O)c1ccn(-c2cccc(C#N)c2)n1)C(N)=O 798487831 YPQJWKUEHKIANP-ZDUSSCGKSA-N 313.317 -0.026 30 20 DBED C#Cc1cc(F)c(NC(=O)C(=O)N[C@H]2CNC(=O)C2)c(F)c1 802572024 SJAKDIGBMDBCCM-MRVPVSSYSA-N 307.256 -0.111 30 20 DBED Cc1ccc(C)c(S(=O)(=O)NN=C2C(=O)NC(=O)NC2=O)c1 814212445 BJPVACBCJGLYIF-UHFFFAOYSA-N 324.318 -0.696 30 20 DBED C[C@H]1CCC(=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C1 814883340 JTKADVZPRDGEAW-QMMMGPOBSA-N 314.367 -0.462 30 20 DBED C#CCNC(=O)CN1CCN([C@H](C(=O)O)c2cccnc2)CC1 833365406 ICCSISUQVYKLJP-HNNXBMFYSA-N 316.361 -0.426 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)c1cncc(C(=O)O)c1 833376717 QEWWIMHYJOYGLE-UHFFFAOYSA-N 307.262 -0.052 30 20 DBED C#Cc1cccc(CNC(=O)C(=O)N2CCCO[C@H](CN)C2)c1 842033312 RFBIYXUMOUIJIG-OAHLLOKOSA-N 315.373 -0.140 30 20 DBED N#Cc1ccc(NCCNC(=O)[C@H]2CCS(=O)(=O)N2)nc1 845182243 YQKQVQNSHUPNDS-SNVBAGLBSA-N 309.351 -0.827 30 20 DBED C#CC[C@H](CCOC)NC(=O)N1CC[C@@H]2OCC(=O)N[C@H]2C1 859018232 QFLQHOZNKKYVDU-AGIUHOORSA-N 309.366 -0.286 30 20 DBED N#Cc1ccc(N2CCN(C(=O)C3CS(=O)(=O)C3)CC2)cn1 867936956 OOVQPRKQZLTWGQ-UHFFFAOYSA-N 320.374 -0.354 30 20 DBED C#CCSCC(=O)N1CCN(S(=O)(=O)N(C)C)CC1 888060144 LRDRVQOMWNSBBO-UHFFFAOYSA-N 305.425 -0.697 30 20 DBED C=C(C)CN1CCC(NC(=O)C(=O)N2C[C@@H](N)[C@H](C)C2)CC1 911235262 AJFQKQJETYDDCQ-TZMCWYRMSA-N 308.426 -0.051 30 20 DBED C[C@H](NS(=O)(=O)c1cccnc1C#N)[C@@H]1CN(C)CCN1C 919987938 ABGGMHKSQKTNLE-AAEUAGOBSA-N 323.422 -0.134 30 20 DBED O=C(NCC#CCO)N1CCN(C(=O)c2ccccc2O)CC1 923785252 RZWFAUSJFBARFF-UHFFFAOYSA-N 317.345 -0.145 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](N(C)C(=O)c2ccc(C(N)=O)[nH]2)C1 939406665 SOLZMQCXCAYFAS-NXEZZACHSA-N 317.349 -0.054 30 20 DBED Cn1cnc(C(=O)N[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)n1 940273953 HWJZWFQEQIUQPP-SNVBAGLBSA-N 313.321 -0.341 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)Cc1nc[nH]n1 940472868 DMHHNENOJICCEH-ZYHUDNBSSA-N 301.350 -0.276 30 20 DBED CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCN(C(=O)C#CC2CC2)C1 942437164 YYIZNODDJMEOIC-HZSPNIEDSA-N 317.389 -0.159 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCN(CC(=O)NC)[C@@H](C)C2)nn1 947792710 QTLCPTYHVJIJOW-NWDGAFQWSA-N 320.397 -0.207 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2CCN2C(=O)c2cnn(C)n2)cn1 951376906 LKSIUFNQDOVDCJ-CYBMUJFWSA-N 324.344 -0.164 30 20 DBED N#CCN1C[C@H](CNC(=O)c2ccnc3ccnn23)[C@@H](O)C1 958136173 ZKOWAQNFEKPNHL-JQWIXIFHSA-N 300.322 -0.725 30 20 DBED C=CCN1C[C@@H](O)[C@@H](CNC(=O)c2cc(=O)c(OC)c[nH]2)C1 958264245 VMPCVXVBZIWXMS-GXFFZTMASA-N 307.350 -0.408 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cc2cncs2)C1 958870794 QXSDQJWUCJZITH-USWWRNFRSA-N 322.390 -0.125 30 20 DBED C[C@@H]1CC[C@H](C(=O)N(C)[C@H]2CN(C(=O)C#CC3CC3)C[C@@H]2O)O1 958971691 AXBMSXBOUPHGAV-UQOMUDLDSA-N 320.389 -0.003 30 20 DBED N#Cc1ccc(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@H]3CCCO3)C2)[nH]1 961390954 HZGGBLQQWCMBTO-FRRDWIJNSA-N 318.333 -0.633 30 20 DBED C=CCCN1C[C@H]2C(NC(=O)c3cn(C)c(=O)n(C)c3=O)[C@@H]2C1 961929537 GCARQUDBUFMWFS-GHMZBOCLSA-N 318.377 -0.680 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC2(CN(C(=O)c3cn[nH]c3)C2)C1 965470544 HVFWNZZUUJGPMN-JTQLQIEISA-N 303.322 -0.377 30 20 DBED C=CCn1cc(C(=O)N2CC(N3CCN(C(C)=O)CC3)C2)nn1 967161924 NMVRFDLRUDHZJV-UHFFFAOYSA-N 318.381 -0.547 30 20 DBED C#CCCN1CC[C@H](C)[C@H](NC(=O)c2cnc(O)n(C)c2=O)C1 967700119 FVRIZVHIVWEZOH-WCQYABFASA-N 318.377 -0.051 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)nc1 969347994 ZEMCCAITEAHLDG-GDLCADMTSA-N 312.329 -0.476 30 20 DBED Cc1nc[nH]c1CC(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1O 969412450 FTJPZHRMQZGLDY-AXTRIDKLSA-N 305.338 -0.892 30 20 DBED C[C@H](NC(=O)c1ccc(C#N)[nH]1)C1CN([C@@H]2CCNC2=O)C1 969515116 XDKAUGBCSTUWGV-TVQRCGJNSA-N 301.350 -0.175 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H](CNC(=O)c2cn(C)nn2)C1 975249686 VYTCBEWBXDGJAR-WDEREUQCSA-N 304.354 -0.057 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)[C@@H]3CCNC(=O)C3)[C@H]2C1 976353365 VRPLWFCZTPDLFU-VLLVSFFDSA-N 304.350 -0.755 30 20 DBED Cn1cncc1CC(=O)N[C@H]1[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]21 976871591 QGAHEZFPSCDRDT-HALDLXJZSA-N 312.373 -0.051 30 20 DBED CN(C)c1cnc(C(=O)NC[C@H]2[C@@H]3CN(CC#N)C[C@H]23)cn1 978142588 LAFINIZRJMBCOP-CNDDSTCGSA-N 300.366 -0.026 30 20 DBED C=CCN1C[C@@]2(C)CN(C(=O)CN3C(=O)CNC3=O)C[C@@]2(C)C1 982785697 ZQYOWEBQJSODFH-IYBDPMFKSA-N 320.393 -0.105 30 20 DBED C#CCN[C@@H]1CCN(C(=O)c2cn(CC(=O)N(C)C)nn2)[C@H]1C 987573371 APPZUBBCLXUMKW-NWDGAFQWSA-N 318.381 -0.808 30 20 DBED C[C@@H]1OCCO[C@@H]1C(=O)N1CC(NC(=O)c2cc(C#N)c[nH]2)C1 990723878 SGSZLNWXAAAHJG-ZANVPECISA-N 318.333 -0.369 30 20 DBED C=CCn1cc(C(=O)NC2CN(C(=O)[C@H]3CCOC3)C2)nn1 991674401 WRFKWYFPDGJOQJ-JTQLQIEISA-N 305.338 -0.559 30 20 DBED C=CCOc1ccc(CC(=O)NC2CN(C(=O)C(N)=O)C2)cc1 994304891 AHUQCTBWZJHXDO-UHFFFAOYSA-N 317.345 -0.394 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN(C(=O)c2nc(C)c[nH]2)C1 994756147 ULTHERZUYVIYSG-ZDUSSCGKSA-N 315.377 -0.244 30 20 DBED C[C@H](C#N)C(=O)N1CC(NC(=O)c2ccc(C(N)=O)cn2)C1 994900834 ALCGKAVBSOIOQW-MRVPVSSYSA-N 301.306 -0.719 30 20 DBED C#CCCN1CC=C(CNC(=O)C2CC(=O)NC(=O)C2)CC1 1001264333 SKHALZPQMQTVNF-UHFFFAOYSA-N 303.362 -0.189 30 20 DBED C=CCCN1CCC(NC(=O)Cn2cnc(C(N)=O)n2)CC1 1002862559 LMGPFFZRXFRPIX-UHFFFAOYSA-N 306.370 -0.466 30 20 DBED C=CCN1CCC[C@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)C1 1009639675 ZDQXNMKEJUHUBC-LBPRGKRZSA-N 320.397 -0.254 30 20 DBED COc1nn(C)cc1C(=O)N1CCN(C(=O)[C@@H](C)C#N)CC1 1011885618 DMRUYYBAEHSNLF-JTQLQIEISA-N 305.338 -0.127 30 20 DBED C#Cc1ccc(C(=O)N2C[C@H](NC(=O)C(N)=O)C[C@@H]2C)nc1 1013468240 HPSYJQHFDWGDPG-GXSJLCMTSA-N 300.318 -0.733 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(CN(C(=O)c3cnn(C)n3)C2)C1 1019190448 XJOAGJVLNOGLCJ-JTQLQIEISA-N 302.338 -0.351 30 20 DBED Cn1c(C(=O)N[C@H]2C[C@H](NCC#N)C2)c2n(c1=O)CCCC2 1020595282 JFATXFDRVAPTIH-XYPYZODXSA-N 303.366 -0.103 30 20 DBED CCCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2O)cn1 1023739832 YUACFDPCPHGFQB-RAIGVLPGSA-N 319.365 -0.246 30 20 DBED CC#CCN1CCC[C@@H](CNC(=O)[C@H]2CCS(=O)(=O)N2)C1 1023753708 MQKFEUBWYQBYEG-QWHCGFSZSA-N 313.423 -0.470 30 20 DBED O=C(C#CC1CC1)N1C[C@@H](O)[C@H](NC(=O)[C@]2(F)CCOC2)C1 1025205355 IZDOUQDXIAYRKP-JMSVASOKSA-N 310.325 -0.784 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H](N(C)CCN2C(=O)CNC2=O)C1 1027330385 OSHBBEAYINEFNV-NEPJUHHUSA-N 321.381 -0.379 30 20 DBED C=CCCn1cc(C(=O)NC2CN(Cc3cnn(C)n3)C2)nn1 1031075708 SDODTSCBCCVKBF-UHFFFAOYSA-N 316.369 -0.403 30 20 DBED C#CCN1CCC(C(=O)NC2CN(Cc3cnon3)C2)CC1 1031435249 VMLJFJOXAMTKCJ-UHFFFAOYSA-N 303.366 -0.285 30 20 DBED C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3Cc2nnnn2C)cn1 1032738196 SGKWQPOUVKSPQQ-KBPBESRZSA-N 323.360 -0.315 30 20 DBED N#CCN1CCCC[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)C1 1034485509 GMNLMKWBCIVDFY-SNVBAGLBSA-N 315.337 -0.475 30 20 DBED CC#CCN1CCO[C@@H](CNC(=O)c2cn3c(n2)COCC3)C1 1035421847 WFXUJBHVCPSPPW-ZDUSSCGKSA-N 318.377 -0.133 30 20 DBED C=C(Cl)CN1CCO[C@H](CNC(=O)[C@@H]2CN(C)C(=O)N2)C1 1035475818 MJMCKYBUUSXBOJ-MNOVXSKESA-N 316.789 -0.421 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2CN([C@H](C)C(N)=O)CCO2)nc1 1035583186 MUOLBUHHBCHKOV-DGCLKSJQSA-N 316.361 -0.633 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)c3cn(C)c(=O)cn3)CC[C@H]21 1036776018 FMZZCHBGEIKZGD-TZMCWYRMSA-N 300.362 -0.050 30 20 DBED C=C(C)CCC(=O)NC[C@]1(O)CCN(C(=O)CNC(C)=O)C1 1039951656 BEPFBRXDVCHJQT-OAHLLOKOSA-N 311.382 -0.442 30 20 DBED C=CCCOCC(=O)NC[C@@]1(O)CCN(C(=O)[C@H](C)C#N)C1 1040161975 RQVXGELNSMUVFB-DOMZBBRYSA-N 309.366 -0.182 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)c2cncnc2O)C1 1040163582 HNXMJPOZXCKAQQ-LKFCYVNXSA-N 319.321 -0.965 30 20 DBED N#Cc1nccc(N2C[C@@H](O)[C@H](NC(=O)c3ccns3)C2)n1 1041193079 NJNAIAWPGUNAGS-RKDXNWHRSA-N 316.346 -0.216 30 20 DBED Cc1ncsc1C(=O)NCC1(O)CN(C(=O)[C@@H](C)C#N)C1 1041655960 SLFQVSDNVVWEQO-QMMMGPOBSA-N 308.363 -0.086 30 20 DBED C#CCCN1CC[C@]2(CCN(C(=O)CN3CC(=O)NC3=O)C2)C1 1041742636 CSWWDSDNAYNDGD-INIZCTEOSA-N 318.377 -0.514 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)[C@H](C)NC(=O)CC)C1 1041970161 WOBQOHZVEFMVRN-NSHDSACASA-N 311.382 -0.443 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)c2onc(C)c2C)C1 1042052629 OXXAAXZCUMRXSZ-UHFFFAOYSA-N 323.349 -0.203 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)c2c[nH]c(C#N)c2)C1 1042669664 UBQRNSGZUKYDLA-VIFPVBQESA-N 301.306 -0.651 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)CCc2cn[nH]c2)C1 1042803300 WDONRAWAYJYXTH-UHFFFAOYSA-N 318.377 -0.165 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)CCc2cnn[nH]2)C1 1042940819 FSKLYCIVCDTCRY-UHFFFAOYSA-N 319.365 -0.914 30 20 DBED N#Cc1nccc(N2C[C@H](O)[C@H](NC(=O)C[C@@H]3CCCO3)C2)n1 1043853256 GMTVTHQUELEPCI-TUAOUCFPSA-N 317.349 -0.417 30 20 DBED Cn1nccc1C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@@H]1O 1043863720 DMUKXRLRKLSRHK-PWSUYJOCSA-N 313.321 -0.939 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)[C@H]2CC(=O)N(C)C2)C1 1044479346 XBNZFQBNFYTQOY-NSHDSACASA-N 323.393 -0.634 30 20 DBED C=CCCCC(=O)NCC1(O)CN(C(=O)C[C@@H]2COC(=O)C2)C1 1045451309 QFBIOCVUIDYOGN-LBPRGKRZSA-N 324.377 -0.015 30 20 DBED C=CC(C)(C)CC(=O)N1CC(O)(CNC(=O)C2(C(N)=O)CC2)C1 1045490357 NWPQGGLPVGRXQT-UHFFFAOYSA-N 323.393 -0.456 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)CCOCC2CC2)C1 1045552635 UMOIDSPCNLVIJT-NSHDSACASA-N 309.366 -0.348 30 20 DBED C=CCN1[C@H]2CC[C@H]1CN(C(=O)[C@H]1CCS(=O)(=O)N1)CC2 1045892669 NPGJLQQIDDTHSU-RWMBFGLXSA-N 313.423 -0.071 30 20 DBED C=C(C)CN1CC[C@H](N2CCN(C(=O)[C@@H]3COC(=O)N3)CC2)C1 1046025436 ZMWJTAIJNDKOGT-KBPBESRZSA-N 322.409 -0.111 30 20 DBED Cc1ccn(CC(=O)NCC2(O)CN(C(=O)C#CC3CC3)C2)n1 1046774333 JISSZNCAKZZELR-UHFFFAOYSA-N 316.361 -0.706 30 20 DBED C=CC(C)(C)CC(=O)N1CC(O)(CNC(=O)Cn2cncn2)C1 1046870678 BUPBGVBTOGJMRX-UHFFFAOYSA-N 321.381 -0.430 30 20 DBED Cc1nc2c(C(=O)N(C)[C@H]3CN(CC#N)C[C@@H]3O)ccnc2[nH]1 1047467286 FQHULLGZGREOLS-RYUDHWBXSA-N 314.349 -0.093 30 20 DBED Cc1cc(C)c(CC(=O)N(C)[C@H]2CN(CC#N)C[C@@H]2O)c(O)n1 1047500790 KAOZHFCRVREQLC-KBPBESRZSA-N 318.377 -0.026 30 20 DBED CN(C(=O)C#CC1CC1)[C@H]1CN(C(=O)[C@@H]2CCCO2)C[C@@H]1O 1048821096 GWLXKVVEWFIHEV-IHRRRGAJSA-N 306.362 -0.391 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CN(C)C(=O)N2)C1 1049159048 BORAPIKXAZFDSP-SRVKXCTJSA-N 324.381 -0.994 30 20 DBED CC#CCN1CCOC[C@@H]1CNC(=O)c1ccc(=O)n(C)c1 1051001487 SMZQYGSPHIEMLC-AWEZNQCLSA-N 303.362 -0.161 30 20 DBED C#CCCN1CCOC[C@@H]1CNC(=O)c1cccc(=O)n1C 1051103784 IUAQNVHIHOXNGF-ZDUSSCGKSA-N 303.362 -0.161 30 20 DBED N#Cc1nccnc1N1CC[C@H](NC(=O)c2cnco2)[C@H](O)C1 1051753841 IXWWYGMFZKNBID-GXSJLCMTSA-N 314.305 -0.294 30 20 DBED N#CCN1CCN([C@H]2CCN(C(=O)C3=COCCO3)C2)CC1 1051977337 UMKWFLLYEZDYRT-ZDUSSCGKSA-N 306.366 -0.383 30 20 DBED C=CCN1CCN([C@H]2CCN(C(=O)c3nnn(C)n3)C2)CC1 1052068197 YFEVUHYAPDLEEX-LBPRGKRZSA-N 305.386 -0.772 30 20 DBED COC(=O)NCC(=O)N1C[C@@H](C)[C@H](CNC(=O)C#CC2CC2)C1 1052110385 RUFNWBAZSDJDPO-DGCLKSJQSA-N 321.377 -0.034 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1CNC(=O)Cn1cnnn1 1052549720 WPLSKCHYNDUNIP-DGCLKSJQSA-N 316.365 -0.703 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC2(CN(CC(=O)NC3CC3)C2)C1 1053190855 HDHQKKMBCDJRSR-NSHDSACASA-N 306.366 -0.662 30 20 DBED C=CCN1CC2(C1)CN(C(=O)C(=O)N1CC[C@@H](C)C1)CCO2 1053502375 SCPMPQPTEVIWAY-CYBMUJFWSA-N 307.394 -0.046 30 20 DBED C[C@@]1(C(=O)N[C@H]2COC3(C2)CN(CC#N)C3)CCNC(=O)C1 1053843542 PMTHGPOHFAOCGV-BXUZGUMPSA-N 306.366 -0.614 30 20 DBED COC(=O)[C@@H]1C[C@H]1C(=O)N1CCN(c2cncc(C#N)n2)CC1 1055734885 FTAKCVBNYQZVBI-VXGBXAGGSA-N 315.333 -0.194 30 20 DBED C[C@@]1(C(=O)N2CCN(c3cncc(C#N)n3)CC2)CCC(=O)N1 1056001519 YEPRMOZTOSVIEP-HNNXBMFYSA-N 314.349 -0.334 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)[C@@]1(C)CNC(=O)C1 1057174305 YRHFYAQBLWLBKD-OAHLLOKOSA-N 311.382 -0.584 30 20 DBED C#CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)[C@@H](F)C(C)C 1057588062 RNCPKTKCEWMRHH-STQMWFEESA-N 316.373 -0.044 30 20 DBED C=CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)c1ccn(C)n1 1057639881 TVXPKRTVSLLJDU-LBPRGKRZSA-N 324.381 -0.438 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)C(C)(C)N1CCCC1 1058282505 FSTQNRKBBNZQIF-CYBMUJFWSA-N 324.425 -0.042 30 20 DBED N#Cc1nccc(N2CC[C@H](NC(=O)c3nccnc3N)C2)n1 1058316138 WTHWEWCIKNZBBK-VIFPVBQESA-N 310.321 -0.271 30 20 DBED N#Cc1ccc(N2CC[C@H](NC(=O)[C@@H]3COC(=O)N3)C2)cn1 1058349984 AUQXJMWOSSPZGY-JQWIXIFHSA-N 301.306 -0.243 30 20 DBED Cc1cc(N2CC[C@@H](NC(=O)[C@@H]3CNC(=O)N3)C2)c(C#N)cn1 1058531083 GXPPPZDCBSYVGL-NEPJUHHUSA-N 314.349 -0.362 30 20 DBED N#Cc1nc(=N[C@H]2C[C@@H](NC(=O)[C@H]3CCC(=O)N3)C2)cc[nH]1 1059586721 WQAGIPGDQSDBJH-KXUCPTDWSA-N 300.322 -0.892 30 20 DBED CN1CCOC[C@@H]1C(=O)N[C@H]1C[C@@H](N=c2cc[nH]cc2C#N)C1 1059598098 SQDYHNOZTCHHAD-VNHYZAJKSA-N 315.377 -0.235 30 20 DBED Cn1ncc(C(=O)NC[C@H]2CCCN2c2cncc(C#N)n2)n1 1061377233 YYGQQEIEVPAHCU-LLVKDONJSA-N 312.337 -0.124 30 20 DBED O=C(C#CC1CC1)NC[C@H]1COCCN1C(=O)c1cnn[nH]1 1061573486 TUVWHEFRLFLRES-NSHDSACASA-N 303.322 -0.825 30 20 DBED C=CCCC1(C(=O)NC[C@H]2COCCN2C(=O)CC(N)=O)CC1 1061864156 IZNXBABOXLMNHQ-LBPRGKRZSA-N 323.393 -0.048 30 20 DBED CN(C[C@H]1CCN(C(=O)CC(N)=O)C1)c1cncc(C#N)n1 1062098958 DPUKVCBHSFNHSN-SNVBAGLBSA-N 302.338 -0.492 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCCC[C@@H]1CNC(=O)CNC(C)=O 1062210900 BLNZXKMBXFBYLG-GXTWGEPZSA-N 323.393 -0.342 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)[C@H]2CN(C)C(=O)N2)CCC1 1063915916 UXQPSFXZYAAKHB-NXEZZACHSA-N 307.354 -0.675 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)[C@H](O)C(C)C)CCO1 1065113490 JJRXEUWQVFPRSE-GXTWGEPZSA-N 314.382 -0.451 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@H](CNC(=O)CCc2cnn[nH]2)C1 1065556778 JTDQKWMMAXRPCR-CMPLNLGQSA-N 320.353 -0.759 30 20 DBED C=CCOCC(=O)N1CCC[C@H](NC(=O)CC(=O)NC)CC1 1066084613 BTAPZVJYNUIOGY-LBPRGKRZSA-N 311.382 -0.178 30 20 DBED N#Cc1nccnc1N1CCOC[C@H]1CNC(=O)[C@H]1CCOC1 1066469886 IETYVFMRMFNAAA-NWDGAFQWSA-N 317.349 -0.294 30 20 DBED C#CCNC(=O)CC(=O)N1CC2(CC[C@@H](CNC(C)=O)O2)C1 1068472646 RSONVZWQYOJXBP-LBPRGKRZSA-N 307.350 -0.978 30 20 DBED C#CCN1CCn2ncc(CNC(=O)[C@@H]3CCC(=O)N3C)c2C1 1069869752 APHAGNGVXZCBQI-ZDUSSCGKSA-N 315.377 -0.431 30 20 DBED N#CCN[C@@H]1CN(C(=O)CCn2ccnc2)C[C@@H]1n1ccnn1 1070247135 DDDNUIPUEIUTKJ-OLZOCXBDSA-N 314.353 -0.570 30 20 DBED C#CCCN1CCNC(=O)CCN(C(=O)CN2CCCC2)CC1 1071020615 LZMKDUMQLGBAFI-UHFFFAOYSA-N 320.437 -0.244 30 20 DBED Cc1nn[nH]c1C(=O)N1C[C@H](C)[C@@H](NC(=O)CSCC#N)C1 1072493729 OYTPOFKOSVYROQ-WPRPVWTQSA-N 322.394 -0.053 30 20 DBED O=C1CC[C@@H](N2CCC3(CN(C(=O)C#CC4CC4)C3)C2)C(=O)N1 1072721267 KUVHMFBUEJFLTI-CYBMUJFWSA-N 315.373 -0.261 30 20 DBED C#CCN1CCC2(C1)CN(C(=O)[C@H]1CN(C(C)=O)CCO1)C2 1073158096 LUZUQTLQRYTAAO-CQSZACIVSA-N 305.378 -0.599 30 20 DBED CC(C)OCC(=O)N1CC(N2CCN(C(=O)[C@@H](C)C#N)CC2)C1 1073596970 MVHCQBQYWCPTQU-ZDUSSCGKSA-N 322.409 -0.074 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](NC(=O)COCC)[C@H](C)C1 1073672969 MPYQPDVFHYWKPB-CHWSQXEVSA-N 323.393 -0.484 30 20 DBED CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1CN(CC#N)CCCO1 1073901777 FGHOKYLTQISQDL-ZIAGYGMSSA-N 308.382 -0.272 30 20 DBED C[C@H]1[C@@H](NCC#N)CCN1C(=O)[C@H]1CCc2nnc(O)n2C1 1074718563 ZNXXWXDKXXVZCS-DCAQKATOSA-N 304.354 -0.351 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)[C@H](C)SC 1075709271 DRVVUEYAXQZLCJ-QWRGUYRKSA-N 313.423 -0.112 30 20 DBED CC(=O)Nc1ccc(CC(=O)N[C@@H]2CN(CC#N)C[C@H]2O)cc1 1077321646 GMWYLJXJOQXUCV-HUUCEWRRSA-N 316.361 -0.128 30 20 DBED C=CCCCC(=O)NCC[C@H](C)NC(=O)[C@@H]1CC(=O)NC(=O)N1 1078098289 HTDVOKOKWSVEAY-QWRGUYRKSA-N 324.381 -0.048 30 20 DBED C#CCN[C@@H]1C[C@H](NC(=O)CN2CC(=O)NC2=O)C12CCC2 1078749329 LVOJQDBWWCZQQR-MNOVXSKESA-N 304.350 -0.812 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)c2nc[nH]n2)C1 1080249684 WOAUNDXMMFVALO-JTQLQIEISA-N 305.338 -0.484 30 20 DBED Cc1nn[nH]c1C(=O)N1CCC(CO)(NC(=O)[C@@H](C)C#N)CC1 1080983110 FLGPHHDRFQPPFH-VIFPVBQESA-N 320.353 -0.644 30 20 DBED N#CCSCC(=O)NC[C@@H]1CN(C(=O)C2CCC2)C[C@@H]1O 1081286951 RDQXZKVTBZWICJ-NEPJUHHUSA-N 311.407 -0.021 30 20 DBED CCN(C)CCC(=O)N1C[C@H](O)[C@H](CNC(=O)C#CC(C)C)C1 1081464298 XWNHSJURDLIJNV-CABCVRRESA-N 323.437 -0.077 30 20 DBED C=C(C)CCC(=O)NC[C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1O 1081531668 VTZXBYCKDXKXLM-DGCLKSJQSA-N 321.381 -0.280 30 20 DBED C#CCCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2cnn[nH]2)C1 1081590275 PDVSOTDJXWSEEF-ZYHUDNBSSA-N 305.338 -0.843 30 20 DBED N#CCSCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cnco2)C1 1081622723 ASMXSMQAVKLQJY-ZJUUUORDSA-N 324.362 -0.520 30 20 DBED C=CC(C)(C)C(=O)NC[C@@H]1CN(C(=O)c2cnnn2C)C[C@@H]1O 1081640040 HTVLWHXXPWMWAZ-PWSUYJOCSA-N 321.381 -0.424 30 20 DBED C#CCN1C[C@@H](NC(=O)C[C@@H]2CCCS2(=O)=O)[C@H](OC)C1 1081985416 QQJYDNTWNYYSMV-YNEHKIRRSA-N 314.407 -0.598 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CCCc2nn[nH]c21 1083177612 FEPCDLSLSBPAKO-KWCYVHTRSA-N 315.377 -0.231 30 20 DBED CO[C@@H]1CCn2cc(C(=O)N[C@@H]3CN(CC#N)C[C@@H]3O)nc2C1 1083564097 OJQDMSKWYWCFAC-WZRBSPASSA-N 319.365 -0.857 30 20 DBED C#CCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CC(=O)N(CCOC)C1 1085626566 PDJPZCUWGGFHCI-ZIAGYGMSSA-N 307.394 -0.353 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2cc(OC)ncn2)[C@H](O)C1 1090271343 HQJQOSCRFNTWNN-DGCLKSJQSA-N 304.350 -0.327 30 20 DBED C=CCN1CC[C@H](NC(=O)c2nc(OC)cc(OC)n2)[C@@H](O)C1 1090364228 UXPJXFBSOKGKOK-QWRGUYRKSA-N 322.365 -0.155 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2cnc3cccnn23)[C@@H](O)C1 1090631853 XBFPTRRWGSYTEW-JSGCOSHPSA-N 313.361 -0.082 30 20 DBED CNC(=O)c1cccc(C(=O)N[C@@H]2CCN(CC#N)C[C@@H]2O)c1 1090823986 MWZHGBRMPCBJGW-KGLIPLIRSA-N 316.361 -0.265 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2cccnc2C(N)=O)[C@H](O)C1 1090824549 NYZQZBPOTXJRFH-QWHCGFSZSA-N 316.361 -0.631 30 20 DBED N#Cc1ccc(N[C@H]2C[C@@H](CNC(=O)Cn3nccn3)C2)nn1 1091373511 AFFAIQHQRGFULL-KLPPZKSPSA-N 312.337 -0.053 30 20 DBED N#Cc1ccc(N2C[C@@H]3C(NC(=O)CCn4cnnn4)[C@H]3C2)nc1 1093294449 VVDLQGRKWWNPIK-RYUDHWBXSA-N 324.348 -0.419 30 20 DBED C#CCN1CC(n2cc(CNC(=O)c3cnnc(C)c3)nn2)C1 1094286815 STQRMUPYTCHKGQ-UHFFFAOYSA-N 311.349 -0.204 30 20 DBED C=C(C)CN1CC(N2C[C@H](NC(=O)[C@@H]3[C@H]4COC[C@H]43)CC2=O)C1 1094772107 OOAOMWHMWSGZHS-UYHMYPTGSA-N 319.405 -0.144 30 20 DBED C=CCCN1CC(N2C[C@H](NC(=O)Cn3cncn3)CC2=O)C1 1094813943 WRGPCMOTPOBYGR-GFCCVEGCSA-N 318.381 -0.745 30 20 DBED N#Cc1nccnc1N[C@@H]1CCN(C(=O)CNC(=O)C2CC2)C1 1095014613 CKEDUEDQDACJAO-LLVKDONJSA-N 314.349 -0.113 30 20 DBED Cc1cc(=N[C@@H](C)CNC(=O)[C@@H]2COC(=O)N2)c(C#N)c[nH]1 1097817682 VCWBJEREZCZDDA-CABZTGNLSA-N 303.322 -0.291 30 20 DBED CC#CCN(CCO)C1CCN(C(=O)Cn2nccn2)CC1 1098378779 GLJAQKBFIQPKMX-UHFFFAOYSA-N 305.382 -0.413 30 20 DBED C=CCCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cn(CC(N)=O)nn1 1098464060 MIAJIYJBFIPMAP-WZRBSPASSA-N 318.381 -0.325 30 20 DBED CC(C)(O)CC(=O)N1CC[C@H](n2cc(CNCC#N)nn2)C1 1098663359 DAFRXKWDKPXOCG-LBPRGKRZSA-N 306.370 -0.174 30 20 DBED C[C@@H](CCNC(=O)[C@H]1CNC(=O)N1)Nc1cncc(C#N)n1 1099682780 OYBUGAXRJYOGKY-WCBMZHEXSA-N 303.326 -0.664 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2c[nH]nc2C)[C@H](O)C1 1099937737 MUFYNMNOIMXSJG-ZIAGYGMSSA-N 306.366 -0.467 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)c2cocc2C)[C@@H](O)C1 1099950369 ZVANKFGUBNKUCX-KGLIPLIRSA-N 319.361 -0.498 30 20 DBED C#CCCN1CC[C@H](NC(=O)C(C)(C)S(C)(=O)=O)[C@@H](O)C1 1100021765 CECSUMPFTWHVCQ-RYUDHWBXSA-N 316.423 -0.616 30 20 DBED CCS(=O)(=O)NCCNC1CC(CNC(=O)[C@H](C)C#N)C1 1100197939 JAQHQFALMVJMPS-VOMCLLRMSA-N 316.427 -0.430 30 20 DBED CCN(CCNC(=O)CCNC(N)=O)c1ccncc1C#N 1100529257 QZUJCQBQMYMZHH-UHFFFAOYSA-N 304.354 -0.046 30 20 DBED C=CCNC(=O)CNC1CC(CNC(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1100590080 IEYJBRWIFQXAGL-KJZWCNOPSA-N 307.394 -0.335 30 20 DBED C=CCNC(=O)CNC1CC(CNC(=O)c2cn(CC)nn2)C1 1100803324 WUTZZPZDVRSZOA-UHFFFAOYSA-N 320.397 -0.302 30 20 DBED COC[C@H](OC)C(=O)NC[C@H]1CCN(c2cnc(C#N)cn2)C1 1101050512 JPYITJYSKJNTAF-YPMHNXCESA-N 319.365 -0.048 30 20 DBED CN(CCN=c1cc[nH]cc1C#N)C(=O)[C@H]1CCCNC1=O 1101815211 WUPWFCKTBJNBQU-LBPRGKRZSA-N 301.350 -0.228 30 20 DBED C[C@@H](CC(N)=O)C(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1C#N 1102569819 FTONNRLKTXALLM-DCAQKATOSA-N 314.349 -0.351 30 20 DBED CC(=O)NCC(=O)NC[C@@H](C)CN=c1cc(C)[nH]cc1C#N 1103843737 KQGZALHJEFMBMX-JTQLQIEISA-N 303.366 -0.016 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)C[C@H]1CCNC1=O 1104108834 RSOBPIGGGQMQPQ-WDEREUQCSA-N 316.365 -0.539 30 20 DBED CC[C@@H](NCc1cn(C2CN(C(=O)[C@H](C)C#N)C2)nn1)C(N)=O 1105190305 VHWPANRMQMWUJH-BXKDBHETSA-N 319.369 -0.825 30 20 DBED CN1CC[C@@H](C(=O)N(C)CCN(C)c2ccc(C#N)nn2)C1=O 1105525113 OJQBJRVPDWGNHA-GFCCVEGCSA-N 316.365 -0.279 30 20 DBED N#Cc1cnc(NC[C@H]2CCC[C@@H]2NC(=O)CC(N)=O)cn1 1105653207 YKBJLSTZRRJQIF-KOLCDFICSA-N 302.338 -0.080 30 20 DBED C#CCCN1CC(OC2CCN(C(=O)CC(=O)NC)CC2)C1 1105703710 GREGFZRIVMMZHA-UHFFFAOYSA-N 307.394 -0.162 30 20 DBED CC(C)C#CC(=O)NC[C@H](O)CN=c1ccc2ncc[nH]c-2n1 1105811970 NLMFKXASSDVGDY-GFCCVEGCSA-N 313.361 -0.053 30 20 DBED N#Cc1nc(=NC[C@@H](O)CNC(=O)c2cncc(F)c2)cc[nH]1 1105815696 CHHZWYVXMXXMSC-LLVKDONJSA-N 316.296 -0.493 30 20 DBED N#Cc1cncc(NC[C@@H](O)CNC(=O)CCCCC(N)=O)n1 1105958104 VTBWSDBTUMGHJN-LLVKDONJSA-N 320.353 -0.717 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@@H]1CN(C(=O)CCN(C)C)C[C@H]1C 1106623672 YVYVCPJNDPYXBY-QLFBSQMISA-N 322.453 -0.240 30 20 DBED C=CCN1CCO[C@](C)(CNC(=O)[C@@H]2CCCN2C(N)=O)C1 1108439218 DSLZJKYZMRZYLW-SWLSCSKDSA-N 310.398 -0.077 30 20 DBED CCn1cc(C(=O)N[C@@H](C)CN=c2cc[nH]c(C#N)n2)nn1 1108492787 XGELPBIZVFADJR-VIFPVBQESA-N 300.326 -0.388 30 20 DBED C=CCCC(=O)N[C@H]1CC(=O)N(C2CN([C@@H]3CCNC3=O)C2)C1 1108520444 UFZCRNOCKFODNP-WCQYABFASA-N 320.393 -0.758 30 20 DBED C#CCOCCC(=O)N[C@@H](C)CN=c1cc[nH]c(C(=O)OC)n1 1108530414 JMEHDDQKBSKXJW-NSHDSACASA-N 320.349 -0.358 30 20 DBED C#CCCCCCC(=O)N[C@@H]1CC(=O)N(C2CN(CCO)C2)C1 1108564110 BQXVXTUSQUTHRU-CQSZACIVSA-N 321.421 -0.036 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)[C@H]1CC(=O)N(C)C1 1108748392 QOWQCKXMGNLSKK-UWVGGRQHSA-N 302.338 -0.835 30 20 DBED COCC#CCN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1(C(N)=O)CC1)C2 1108751611 WHZDELOUNTVSNK-MJBXVCDLSA-N 319.405 -0.129 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cnn(C)c1 1108910077 HGWOVYFVWDHGEB-RDBSUJKOSA-N 315.377 -0.495 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CN(C)c1nccnc1F 1108944747 HNIRCLAFWZNBLA-JTQLQIEISA-N 307.329 -0.304 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)CN(C)c1nccnc1F 1108944749 HNIRCLAFWZNBLA-SNVBAGLBSA-N 307.329 -0.304 30 20 DBED C[C@H](CN(C)c1ccnc(C#N)n1)NC(=O)CCCC(N)=O 1109012392 NIYRXCXDDPHEAA-SNVBAGLBSA-N 304.354 -0.055 30 20 DBED Cc1cc(C#N)nc(N(C)C[C@@H](C)NC(=O)Cn2ncnn2)n1 1109117355 XBTFPDZGQNCZKA-SNVBAGLBSA-N 315.341 -0.716 30 20 DBED N#Cc1nccnc1NC[C@@H](NC(=O)[C@@H]1COC(=O)N1)C1CC1 1109832486 HJBINIIWHJTHTO-MNOVXSKESA-N 316.321 -0.237 30 20 DBED C#CCNC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1nc[nH]n1 1109861356 JCDVVHHULAARBD-WYUUTHIRSA-N 316.365 -0.722 30 20 DBED N#Cc1ccc(N2CC[C@@](O)(CNC(=O)[C@H]3CCOC3)C2)nn1 1111043527 GVJZLJJACCFXRF-XHDPSFHLSA-N 317.349 -0.558 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(c2cc(F)ncn2)C[C@H]1O 1112701440 GVNNDSSLZHWRKV-GHMZBOCLSA-N 310.329 -0.268 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)CC(=O)NCC)CC1 1112779321 URPAOXQCFQXGQI-GFCCVEGCSA-N 310.398 -0.653 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)c2cnnc(C)c2)CC1 1112795412 BGDMTLLZFZITGC-ZDUSSCGKSA-N 315.377 -0.319 30 20 DBED C[C@H](NC(=O)Cn1cnnn1)[C@@H](C)Nc1ccc(C#N)nc1 1112906215 XYKNWHKQTHQQFZ-ZJUUUORDSA-N 300.326 -0.055 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)[C@@H]2CCCNC2=O)CC1 1112987294 CDQMREURXOIQHP-CHWSQXEVSA-N 322.409 -0.653 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2c[nH]c(C)cc2=O)CC1 1113490023 WKCDWAZFBACHKA-UHFFFAOYSA-N 316.361 -0.809 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)COc2ccccc2)CC1 1113576914 AMGHNYVLUIUXLA-UHFFFAOYSA-N 316.361 -0.151 30 20 DBED Cc1cncc(C(=O)NC2[C@H]3CN(CC(=O)NCC#N)C[C@H]23)c1 1114093337 NJMVVLFLRBKCAG-STQMWFEESA-N 313.361 -0.310 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)Cc3cc(C)[nH]n3)[C@H]2C1 1114118466 ZAAHKMWMIHWARO-VIKVFOODSA-N 317.393 -0.391 30 20 DBED CCn1nccc1C(=O)NC1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]12 1114174633 XIIIENKRQZHBBQ-GHMZBOCLSA-N 316.365 -0.797 30 20 DBED C#CCOCCC(=O)N[C@H]1[C@@H]2CN(Cc3cnnn3C)C[C@@H]21 1114265081 AERDLQNYUPXOHS-NHAGDIPZSA-N 303.366 -0.599 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)[C@@H](CC)N(C)C)[C@@H]2C1 1114460766 GYGGKULPTMPGOW-JHJVBQTASA-N 308.426 -0.325 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)[C@@H]3CCC(=O)N3C)[C@@H]2C1 1114695117 AJXGPAGBTBKDSY-UPJWGTAASA-N 305.378 -0.697 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)c3cc(C)co3)[C@@H]2C1 1114710917 MUCZUOXINTYQHF-VXGBXAGGSA-N 301.346 -0.003 30 20 DBED C=CCn1cc(C(=O)NC2[C@H]3CN(CC#CCOC)C[C@H]23)nn1 1114941958 HPCDYCLIZDLDAU-STQMWFEESA-N 315.377 -0.226 30 20 DBED C=CCC[C@H](C)N1C[C@H]2C(NC(=O)CN3CC(=O)NC3=O)[C@@H]2C1 1114979751 DHRVJGRSCRURCB-QJPTWQEYSA-N 320.393 -0.061 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)[C@@H]3CCN(C(C)=O)C3)[C@H]2C1 1115178600 LUUJICIPWSIBET-WCVJEAGWSA-N 319.405 -0.449 30 20 DBED C=CCN(C)C(=O)C(=O)NCc1ccc(-n2cncn2)nc1 1117033906 USLGJLIZWRMRRH-UHFFFAOYSA-N 300.322 -0.077 30 20 DBED Cn1nnc(C(=O)NC[C@@H](CO)Nc2cccc(F)c2C#N)n1 1122333853 OMKBLXLMBXFPLF-QMMMGPOBSA-N 319.300 -0.576 30 20 DBED COC[C@H](OC)C(=O)NC[C@H](CO)Nc1nc(C)cc(C#N)n1 1122464788 CCHCLONUUNVMFE-NEPJUHHUSA-N 323.353 -0.793 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CCCN(c2cncc(C#N)n2)[C@H]1C 1123536323 AIGDDKLHQZAEJH-CMPLNLGQSA-N 316.365 -0.042 30 20 DBED CN(C[C@@H](O)CNc1cnc(C#N)cn1)C(=O)c1cn(C)nn1 1124295781 MCCSYSFFFCQAJL-JTQLQIEISA-N 316.325 -0.978 30 20 DBED CN(C[C@H](O)CNc1ccc(C#N)nn1)C(=O)c1cnco1 1124622305 PEEOZMLUAQVRRZ-SNVBAGLBSA-N 302.294 -0.119 30 20 DBED COC[C@@H](OC)C(=O)N(C)C[C@H](O)CNc1ncccc1C#N 1124721408 MYFYTEXCASGQHR-CHWSQXEVSA-N 322.365 -0.154 30 20 DBED CN(C[C@H](O)CNc1nccnc1C#N)C(=O)[C@@]12COC[C@@H]1C2 1124820720 AASRQCTUXVJJIB-RWSFTLGLSA-N 317.349 -0.384 30 20 DBED C=C(Cl)CNCCNC(=O)CN(C)S(=O)(=O)N(C)C 1127098645 BELPSTCXINOFJD-UHFFFAOYSA-N 312.823 -0.817 30 20 DBED COc1ccc(C#N)cc1CNCCNC(=O)Cn1ncnn1 1127433695 USLMOWVKFYOALS-UHFFFAOYSA-N 315.337 -0.541 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCn2ncc(CNC(C)=O)c2C1 1128132821 LJZIPPBOYNKNPV-LLVKDONJSA-N 303.366 -0.527 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(CCOC)C[C@@H]1n1ccnn1 1128979993 JITCAUWCDMANPD-MJBXVCDLSA-N 321.381 -0.696 30 20 DBED C#CCCN1C[C@H]2C[C@@H]3CN(C(=O)[C@@H](COC)OC)C[C@@]3(C1)O2 1131264196 LOGVATUYVLTERU-KCYZZUKISA-N 322.405 -0.027 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)CCCF 1132470566 HAYJPWWXTABYRJ-JTQLQIEISA-N 302.350 -0.158 30 20 DBED Cc1nonc1C(=O)N[C@@H]1CC[C@@H](C)N(CC(=O)NCC#N)C1 1132536810 IDEADVQXEJUBQU-MWLCHTKSSA-N 320.353 -0.400 30 20 DBED C#CCOCCC(=O)N[C@@H](C)C[C@@H](C)NCCN1CCNC1=O 1134351637 IQUMLFKASUBXHS-KGLIPLIRSA-N 324.425 -0.076 30 20 DBED CCS(=O)(=O)CC(=O)N[C@H](C)C[C@@H](C)NCC#CCOC 1146590759 AALFWNNDZKOKQV-CHWSQXEVSA-N 318.439 -0.056 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)[C@@H]1CCO[C@H]1C)C2 1148488024 JFEZTARFQHHIJI-UONOGXRCSA-N 319.405 -0.305 30 20 DBED C=CCCN1CCCO[C@H](CNC(=O)C[C@H]2CC(=O)NC2=O)C1 1150833738 ZBGHHZQKMRZMOM-QWHCGFSZSA-N 323.393 -0.178 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)[C@H]1CCCOC1 1152339923 MHCZMQMHNIFHOF-OLZOCXBDSA-N 310.398 -0.121 30 20 DBED C#CCCNCC1(CCNC(=O)CN2CC(=O)NC2=O)CC1 1167468897 PATNTJKFYJFFOK-UHFFFAOYSA-N 306.366 -0.562 30 20 DBED C=CCCOCC(=O)NCCCNCC(=O)NC(=O)NC 1177264666 TUADQFJLYXMMAA-UHFFFAOYSA-N 300.359 -0.869 30 20 DBED CC(C)C#CC(=O)N1CC[C@@H](NCCCN2C(=O)CNC2=O)C1 1182432470 ZRFVZGFYQDXEJN-CYBMUJFWSA-N 320.393 -0.222 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](NCC(=O)NC(=O)NCC)C1 1182496933 UZNMTXOUEGYHPP-GFCCVEGCSA-N 324.381 -0.938 30 20 DBED C#CCNC(=O)CNC[C@H]1CCN(C(=O)c2cc[nH]n2)C[C@@H]1C 1183898948 NVQFFAAGOUNZCF-QWHCGFSZSA-N 317.393 -0.153 30 20 DBED N#CCN[C@@H]1CCCO[C@H]1C1CCN(C(=O)CNC(N)=O)CC1 1186114032 JFDCYJOGPORNJD-OCCSQVGLSA-N 323.397 -0.446 30 20 DBED C#CCNC[C@H]1CN(C(=O)c2nc[nH]n2)CC12CCOCC2 1186522152 QVEJESBDPJACQC-LBPRGKRZSA-N 303.366 -0.104 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)[C@H](C)OCC)[C@@H]2C1 1186965609 KBHLDTVBRLFZBC-MELADBBJSA-N 307.394 -0.307 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)CCCC(=O)N(C)C)C1 1187167110 VLUXFJLHGBPABZ-CYBMUJFWSA-N 322.409 -0.815 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)Cc2ccon2)C1 1189469897 AGWINZSZKWKYNW-ZDUSSCGKSA-N 304.350 -0.501 30 20 DBED CN(CC(=O)NCC#N)[C@H]1CCN(C(=O)CC2=CCOCC2)C1 1192189294 COEVOCKSZOPUQU-AWEZNQCLSA-N 320.393 -0.104 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)C[C@H]2CCC(=O)N2)C1 1192800605 IBDMHXMVXCMMMM-CHWSQXEVSA-N 322.409 -0.510 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)CNC(=O)c2ccoc2)C1 1193174685 RNCIYQKPZSQNLW-CHWSQXEVSA-N 305.334 -0.806 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)[C@@H]2CC(=O)N(C)C2)CC1 1196018376 QJQLFMDVOOXPMH-CYBMUJFWSA-N 322.409 -0.699 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)[C@H](C)CS(C)(=O)=O)C1 1199155956 WWXWFEARABBHLN-IJLUTSLNSA-N 304.412 -0.596 30 20 DBED Cn1[nH]c(CNC2CCN(C(=O)CSCC#N)CC2)nc1=O 1199386604 DJPCIAANXOPLJG-UHFFFAOYSA-N 324.410 -0.554 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)C2CC=CC2)CCCO1 1200163679 BSSQFIQSCUFTFJ-OAHLLOKOSA-N 319.405 -0.091 30 20 DBED C#CCCCC(=O)N1CCC(NCCNS(C)(=O)=O)CC1 1200316836 CGDMULMFNGSDNP-UHFFFAOYSA-N 315.439 -0.080 30 20 DBED C=CCNC[C@H]1CN(C(=O)CCCS(N)(=O)=O)CCCO1 1201284267 RQVLZFDDNVATFH-LBPRGKRZSA-N 319.427 -0.552 30 20 DBED C#CCNC(=O)CNC[C@H]1CN(C(=O)[C@@H]2CC23CC3)CCCO1 1201484658 XINYMSDOHQPUFV-KBPBESRZSA-N 319.405 -0.257 30 20 DBED CCOCCNC(=O)CN1C[C@@H](NC(=O)[C@H](C)C#N)[C@H](C)C1 1206641345 RRBAQUZCHLRXFB-JHJVBQTASA-N 310.398 -0.265 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 1207688052 LKEMCEBFMCKXJQ-KBPBESRZSA-N 308.426 -0.037 30 20 DBED C#CCOCCC(=O)N1CCC[C@H](NCc2nnnn2C)C1 1208032410 QVZPFPBFFHQEOS-LBPRGKRZSA-N 306.370 -0.669 30 20 DBED C#CCCN1C[C@@H](NC(=O)CCn2ncn(C)c2=O)[C@H](C)C1 1208073662 GMEOUMYESJJADA-CHWSQXEVSA-N 305.382 -0.568 30 20 DBED C=C(C)CN(CC)C(=O)CN[C@H]1CCCN(C(=O)C(N)=O)C1 1209387588 QVUQZZKWZGDMOK-LBPRGKRZSA-N 310.398 -0.523 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[nH]2)C[C@H]1C 1211420484 HOFHPFHJKHRENS-VXGBXAGGSA-N 323.397 -0.362 30 20 DBED C#CCCN1C[C@@H](NC(=O)CCc2cnn(C)n2)[C@H](OC)C1 1213453458 BMMJIRRDRSDAMK-ZIAGYGMSSA-N 305.382 -0.414 30 20 DBED C=C(C)CN[C@@H]1CN(C(=O)[C@@H](CCC(N)=O)NC(C)=O)C[C@H]1C 1215944655 LVLKYVZIGDYYMA-MRVWCRGKSA-N 324.425 -0.231 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H](C)OCCOC 1218716077 SMTNQAYIOZNKQT-SOUVJXGZSA-N 310.394 -0.027 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(Cc2cc(C)on2)C[C@@H]1O 1219526738 AIDRKJBKKRGDKW-IPYPFGDCSA-N 309.366 -0.029 30 20 DBED C=CCCCN1C[C@H](O)[C@H](NC(=O)C(C)(C)NC(=O)NC)C1 1221077742 UAXQQCAXDINOFR-NEPJUHHUSA-N 312.414 -0.179 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)Cc2cc[nH]n2)CC1 1222714154 ISPZTEKXUKRWES-UHFFFAOYSA-N 317.393 -0.470 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)Cc1cc[nH]n1 1225477423 DIRKPJKZVKUAFW-CHWSQXEVSA-N 318.381 -0.391 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)C1=COCCC1 1231114781 QVLNXRQISDRPPK-CQSZACIVSA-N 305.378 -0.037 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@H]1CN(C)C(=O)c1ncn(C)n1 1234059748 PCIGSFUKJKBTGB-NEPJUHHUSA-N 318.381 -0.901 30 20 DBED C=CCCO[C@@H](C)C(=O)NCCCN(C)CC(=O)NC(N)=O 1235231678 ZZWONLSWVQXKHP-NSHDSACASA-N 314.386 -0.399 30 20 DBED N#Cc1ccsc1NC(=O)C(=O)N[C@H]1CCS(=O)(=O)C1 1317878614 LSEHKZIQYXRQCW-QMMMGPOBSA-N 313.360 -0.138 30 20 DBED C=C(C)CN1CCC(NC(=O)C(=O)N2C[C@@H]3C[C@@]3(CO)C2)CC1 1322542803 ITLRFFAYFSIJNL-GUYCJALGSA-N 321.421 -0.016 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)CCO1 1322570382 SPCUPLSPFHGJBS-QWHCGFSZSA-N 306.366 -0.662 30 20 DBED C#CCSCCNC(=O)C(=O)N1CC[S@](=O)[C@@H](C)[C@@H]1C 1323045911 XHRQPKREVLOANP-MKXJDEKUSA-N 316.448 -0.163 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CC[C@H](C(=O)OC)[C@H]1C)[C@H]1CCCO1 1325474674 LVXLZCBHBYEJPH-MROQNXINSA-N 322.361 -0.307 30 20 DBED C#CC1CCN(C(=O)C(=O)N2CCN3C(=O)NC[C@@H]3C2)CC1 1326263219 GDYTYMSTHULJGP-GFCCVEGCSA-N 304.350 -0.906 30 20 DBED COC[C@@]1(CO)CCN(C(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)C1 1326718344 IESJEYXALOXTQM-ZOWXZIJZSA-N 309.366 -0.348 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@H](C)CSC 1326837981 IMPOIZXCWMNGAT-SECBINFHSA-N 308.425 -0.429 30 20 DBED C=CCOCCNC(=O)C(=O)NC[C@H]1CC(=O)N(CCC)C1 1328524178 DSDZFTYRTUUODJ-GFCCVEGCSA-N 311.382 -0.320 30 20 DBED N#Cc1ccsc1NC(=O)C(=O)N1C[C@@H](CO)[C@H](CO)C1 1331643121 GZBBUHZIJMHGDO-UWVGGRQHSA-N 309.347 -0.383 30 20 DBED N#CCNC(=O)c1ccc2c(c1)S(=O)(=O)N=C1N=CNN12 1341390862 MPRGZHYONABGME-UHFFFAOYSA-N 304.291 -0.649 30 20 DBED N#C[C@@]1(F)CCN(C(=O)C(=O)N2CCSC[C@@H]2CCO)C1 1348367590 SJZBBKYPHJWPCQ-GWCFXTLKSA-N 315.370 -0.223 30 20 DBED COCCOC[C@@H](C)NC(=O)C(=O)N1CC[C@](O)(CC#N)C1 1349224463 YTRRFJNPHDYGDB-BXUZGUMPSA-N 313.354 -0.969 30 20 DBED C[C@H](O)[C@@H]1CCCN(C(=O)CCn2cc(C#N)c(O)nc2=O)C1 1362510159 MNBCZNFUZTZOPL-WDEREUQCSA-N 320.349 -0.170 30 20 DBED C[C@H](CC(N)=O)C(=O)NC[C@@H](O)CNCc1cccc(C#N)c1 1367610005 WAENQMCSGDQIDW-RISCZKNCSA-N 318.377 -0.364 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(N(CCO)Cc2nnn(C)n2)CC1 1368895237 JESRBNQGTSVRSI-NSHDSACASA-N 321.385 -0.845 30 20 DBED CC(C)c1nnnn1CC(=O)N1CC[C@@H](NC(=O)[C@@H](C)C#N)C1 1372012739 IHPQOWJFQZMXMN-WDEREUQCSA-N 319.369 -0.327 30 20 DBED CC(C)CNC(=O)CNC[C@H](O)CNC(=O)c1cc(C#N)c[nH]1 1379179605 JXFXCDIFEQEDKG-LBPRGKRZSA-N 321.381 -0.661 30 20 DBED C[C@H](C#N)C(=O)NC1CN(C(=O)[C@H]2CCc3nccn3C2)C1 1387806652 SJZGNCBFHWQULR-MNOVXSKESA-N 301.350 -0.068 30 20 DBED N#Cc1cc(C(=O)NC[C@@H](O)CNC(=O)c2ccncc2)c[nH]1 1389052937 YOGZERSTZZOVEH-ZDUSSCGKSA-N 313.317 -0.198 30 20 DBED CC(=O)NCC(=O)N(C)C1CC(NC(=O)c2cc(C#N)c[nH]2)C1 1396183521 WRAQVLJEWJJSLX-UHFFFAOYSA-N 317.349 -0.258 30 20 DBED CC(=O)N1CCC[C@@H](C(=O)NCCN(C)C(=O)[C@@H](C)C#N)C1 1397974013 ONAJJCWZNXRMDC-WCQYABFASA-N 308.382 -0.021 30 20 DBED CC(C)NC(=O)CN1CC(N2CCN(C(=O)[C@@H](C)C#N)CC2)C1 1402785124 UMQXOOFTVAVZFI-ZDUSSCGKSA-N 321.425 -0.501 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@@H](CNC(=O)c2c[nH]c(=O)cn2)C1 1406611683 SQKUBCCQHYFGHL-BBBLOLIVSA-N 303.322 -0.446 30 20 DBED C[C@H](CNC(=O)c1cnn[nH]1)N(C)C(=O)c1cc(C#N)c[nH]1 1411604718 OJLIEERZYIUDEP-MRVPVSSYSA-N 301.310 -0.105 30 20 DBED CNc1ccc(C(=O)NCCn2cc(C#N)c(O)nc2=O)cn1 1412368900 ALMGBWJPBGNWSM-UHFFFAOYSA-N 314.305 -0.313 30 20 DBED CCO[C@H](C(=O)NCCn1cc(C#N)c(O)nc1=O)C1CC1 1413308552 NUCKCQRMNSBGGL-NSHDSACASA-N 306.322 -0.248 30 20 DBED CCc1nc(CNS(=O)(=O)N(CCC#N)CCOC)n[nH]1 1413354475 GRJIZVKZBKLFPX-UHFFFAOYSA-N 316.387 -0.436 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)Cc2cc[nH]n2)C1 1417435090 RHJFZLNODYOLRG-IINYFYTJSA-N 305.338 -0.809 30 20 DBED CCN(CCC#N)C(=O)CN(C)CCNC(=O)c1cnns1 1418446036 KQIFCXRRJYLGGT-UHFFFAOYSA-N 324.410 -0.038 30 20 DBED COCCN(CCNC(=O)[C@@H](C)C#N)C(=O)Cc1nc[nH]n1 1426069882 DWHHFRFNILVYFG-JTQLQIEISA-N 308.342 -0.902 30 20 DBED CCCCS(=O)(=O)CC(=O)N(C)CCNC(=O)[C@H](C)C#N 1431478708 IPFMYOHKTMBXMJ-LLVKDONJSA-N 317.411 -0.064 30 20 DBED CC(C)C[C@@H](CNC(=O)[C@H](C)C#N)NC(=O)C1(NC(N)=O)CC1 1433012601 CHGOILNCMJPJIS-MNOVXSKESA-N 323.397 -0.006 30 20 DBED CO[C@@H]1CS(=O)(=O)C[C@H]1NS(=O)(=O)CC(C)(C)C#N 1434581856 ANSYUBSAXSLSRG-RKDXNWHRSA-N 310.397 -0.732 30 20 DBED CC(C)CNC(=O)[C@H](C)N1CC(O)(CNC(=O)[C@@H](C)C#N)C1 1440038354 KSQAYKQQEQFNOS-RYUDHWBXSA-N 310.398 -0.530 30 20 DBED C[C@H](NC(N)=O)C(=O)NCC(C)(C)CN(C)C(=O)[C@H](C)C#N 1442617490 ZHXGFSUGIMTRCV-ZJUUUORDSA-N 311.386 -0.196 30 20 DBED CNC(=O)NC(=O)[C@@H](C)N[C@H](C)CNC(=O)c1cc(C#N)c[nH]1 1480442233 ICLKPZVVQJQNMY-RKDXNWHRSA-N 320.353 -0.562 30 20 DBED CNC(=O)NC(=O)CN1CC[C@]2(CCN(C(=O)[C@@H](C)C#N)C2)C1 1483840359 ASPQHNYQZDHBCP-NHYWBVRUSA-N 321.381 -0.474 30 20 DBED COc1cnc(C(=O)N(C)C[C@@H](O)CNC(=O)[C@H](C)C#N)nc1 1511579301 MTGWRXQUIXIBCO-ZJUUUORDSA-N 321.337 -0.806 30 20 DBED C#CCN(C)c1nnc(-c2cn(C)c(=O)n(C)c2=O)n1CC=C 1520278012 DIFUERBHGMUAIA-UHFFFAOYSA-N 314.349 -0.402 30 20 DBED CCn1nc(C)c(C(=O)NC[C@H](O)CNC(=O)[C@@H](C)C#N)c1C 1533296384 AUMBSKPWKKTQCJ-JOYOIKCWSA-N 321.381 -0.114 30 20 DBED C#CCN(C1CCNCC1)S(=O)(=O)[C@H]1CC(=O)N(CC)C1 1574614625 GSQZTMLNAQLPBR-ZDUSSCGKSA-N 313.423 -0.376 30 20 DBED C[C@@H](CNC(=O)CCOCc1cnn[nH]1)CNC(=O)[C@@H](C)C#N 1575589328 TVWKMTOBHKDEDL-QWRGUYRKSA-N 322.369 -0.260 30 20 DBED COCCNCCNC(=O)N1CCC(C#N)(C(=O)OC)CC1 1579046546 VCWXQZPVFPAFHD-UHFFFAOYSA-N 312.370 -0.289 30 20 DBED C[C@@]1(CO)CN(C(=O)C2CC3(CNC[C@H]3C#N)C2)C[C@]1(C)CO 1579473259 ODJYCOXYSDXBTH-OEKQDRQZSA-N 321.421 -0.035 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCC[C@H]2C(=O)O)C1=O 1588832213 HMZFOLAYZZSAST-BDAKNGLRSA-N 323.305 -0.667 30 20 DBED C[C@H](C(=O)N[C@@H](Cn1ccnc1)C(=O)O)n1cnc(C#N)n1 1589389130 WHMKUHZJNKEFFF-BDAKNGLRSA-N 303.282 -0.823 30 20 DBED C[C@@]1(C#N)CCCN(C(=O)C(=O)N2CCO[C@@H](CC(=O)O)C2)C1 1593740807 VVLZSBFCKOYCHE-NHYWBVRUSA-N 323.349 -0.159 30 20 DBED CN(CCC(=O)O)S(=O)(=O)NCC1(C#N)CCOCC1 1598471630 XLQMDOCYSOAHJL-UHFFFAOYSA-N 305.356 -0.452 30 20 DBED COC1CCN(C(=O)C(=O)N2CCC(C#N)(C(=O)O)CC2)CC1 1599117010 UPVMHCXMCAOIEX-UHFFFAOYSA-N 323.349 -0.159 30 20 DBED C#CCN(CC(=O)O)c1nnc([C@@H]2CCC(=O)N2)n1CCOC 1602701050 UERDARXPNOLKAD-JTQLQIEISA-N 321.337 -0.600 30 20 DBED C[C@@](C#N)(CC(=O)O)C(=O)OC[C@@H]1CCN(S(C)(=O)=O)C1 1602781977 MUEDUZVUDWTOKP-SKDRFNHKSA-N 318.351 -0.184 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 1713146524 LLNREGIEFHRRAX-YPMHNXCESA-N 313.361 -0.172 30 20 DBED CC#CCN1CCN(CCNC(=O)Cc2ccn(C)n2)CC1 1752365473 AOGAPPGDDCHFDF-UHFFFAOYSA-N 303.410 -0.280 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@H](NC(=O)c2cnc(C)n2C)C1 1752655497 TUORNUBIWBMNJK-HAQNSBGRSA-N 303.366 -0.672 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1C[C@@H](NC(=O)c2cc(C)on2)C1 1752714076 ZVNBISBHKDFVFP-UTUOFQBUSA-N 304.350 -0.029 30 20 DBED C#CCNC(=O)CN[C@@H](C)CNC(=O)c1ccc2nonc2c1 1752897891 JTIYTBWBLCBSGV-JTQLQIEISA-N 315.333 -0.320 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CCCN1Cc1cn(C)nn1 1753103171 PZBYLDRYJYZZQD-AWEZNQCLSA-N 305.382 -0.064 30 20 DBED C#CCN1CC[C@@H](CNC(=O)CCc2nnc(O)nc2O)C1 1753129118 KGYISJMRRZUMQN-JTQLQIEISA-N 305.338 -0.713 30 20 DBED C#CCCN1CC[C@H](CCNC(=O)Cn2c(O)nnc2O)C1 1753339515 POSOCBLDZYWZCT-NSHDSACASA-N 307.354 -0.459 30 20 DBED C#CCOCCC(=O)NCC1CN([C@H](C)c2nncn2C)C1 1753402962 IKFGPIHGWDNPEZ-GFCCVEGCSA-N 305.382 -0.036 30 20 DBED C#CCNC(=O)CNC[C@H](C)CNC(=O)c1cncc(C#C)c1 1753631529 YNDDQBIKVSEGFB-ZDUSSCGKSA-N 312.373 -0.232 30 20 DBED COCC#CCNC[C@H](C)CNC(=O)CS(=O)(=O)C(C)C 1753642297 AZFQVSWDFBKOJR-ZDUSSCGKSA-N 318.439 -0.199 30 20 DBED C#CCNC(=O)[C@H](C)NCC[C@H](C)NC(=O)c1ncccn1 1754008153 ASXSZBBHXJZQEX-RYUDHWBXSA-N 303.366 -0.288 30 20 DBED C#CCNC(=O)CNC[C@@H](C)NC(=O)c1cncc(COC)c1 1754229374 CFYCDMLARFTQLE-GFCCVEGCSA-N 318.377 -0.315 30 20 DBED C=CCNC(=O)[C@H](C)NC[C@H](C)NC(=O)c1coc(C(N)=O)c1 1754277033 QLGCMSLYIJALSJ-UWVGGRQHSA-N 322.365 -0.223 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CNCCS(C)(=O)=O 1754283537 FOVJLXMXPRJRAH-TUAOUCFPSA-N 304.412 -0.284 30 20 DBED C=CCNC(=O)CN1C[C@H]2C[C@H]1[C@H]2NC(=O)c1c(C)cnn1C 1754426837 FZVNSABSSILZJE-DYEKYZERSA-N 317.393 -0.167 30 20 DBED C#CCNC(=O)CNC1(CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 1754525544 VEBLGTYBBODKSA-UPJWGTAASA-N 305.378 -0.458 30 20 DBED COCC#CCNCC[C@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1 1754906688 GMQAUXPWLMZIML-UONOGXRCSA-N 307.394 -0.257 30 20 DBED CC(C)(NS(C)(=O)=O)C(=O)N1CC[C@@H](CCNCC#N)C1 1754934016 HCRLDKCVCQKQFS-LLVKDONJSA-N 316.427 -0.334 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@H]1CN(C(=O)C#CC2CC2)CCO1 1755002499 SCEQPQCWXDNRIR-ZFWWWQNUSA-N 317.389 -0.645 30 20 DBED C=CCOCCN1CC2(C[C@@H](NC(=O)Cc3nc[nH]n3)CO2)C1 1755064942 BAGRQEALYVHSMP-GFCCVEGCSA-N 321.381 -0.491 30 20 DBED C=CCOCCN[C@]1(CO)CCCN(C(=O)c2cnn[nH]2)C1 1755085416 FSFXIBIWPXTAJC-CQSZACIVSA-N 309.370 -0.436 30 20 DBED C[C@@H](C(=O)NC(N)=O)N(C)C[C@@H]1CCCN1C(=O)C#CC1CC1 1755193214 UMIASEOZUQNPHZ-AAEUAGOBSA-N 320.393 -0.094 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(CNC(=O)[C@@]3(F)CCOC3)[C@H]2C1 1755427196 AUKGGSNOQMAUEW-XJKCOSOUSA-N 323.368 -0.842 30 20 DBED C#CCNC(=O)CN[C@@H](CO)CNC(=O)C[C@H]1C=CCCC1 1755632889 ZFIWKSONICTWLS-UONOGXRCSA-N 307.394 -0.451 30 20 DBED C[C@@H]1[C@H](NCC(=O)NCC#N)CCN1C(=O)c1ccc(O)nc1 1755662475 DZDKFKQMVUIBFW-ZYHUDNBSSA-N 317.349 -0.380 30 20 DBED C#CCNC(=O)CNC[C@@H]1CC[C@@H](NC(=O)CSCC#N)C1 1755730943 PDVVZMVMTZFQJF-CHWSQXEVSA-N 322.434 -0.133 30 20 DBED CC#CCN[C@@H]1CN(C(=O)Cn2c(O)nnc2O)CC1(C)C 1755764806 AQAVBUOGKMVVHL-SNVBAGLBSA-N 307.354 -0.461 30 20 DBED CN(CCOCCN[C@@H]1CCNC1=O)C(=O)c1ccc(C#N)[nH]1 1755872635 SCZYZZLFFTWBDG-GFCCVEGCSA-N 319.365 -0.547 30 20 DBED C#CCNCCOCCN(C)C(=O)[C@H]1CCC[C@H](C(N)=O)C1 1755876739 RFZCERUALFMYAK-KBPBESRZSA-N 309.410 -0.024 30 20 DBED CN1CCO[C@@H](C(=O)NCC2CC(NC(=O)C#CC3CC3)C2)C1 1755936510 YAFQUVWBXHHVOI-YMAMQOFZSA-N 319.405 -0.259 30 20 DBED C=CCOCC(=O)N(C)[C@@H](C)CNC(=O)C(=O)NCC(F)F 1756042233 BQJABMCDAKTMOE-VIFPVBQESA-N 321.324 -0.467 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CCO[C@](C)(C(=O)O)C1 1776863633 RSBULEQVQMKPPJ-NSHDSACASA-N 305.356 -0.358 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)Cn1ccnc1)CCO2 1783049868 YRUADUGILVKISW-HNNXBMFYSA-N 302.334 -0.654 30 20 DBED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ncccn3)[C@H]2C1 1786110391 LIGSEZVAJMEKJM-AVGNSLFASA-N 314.345 -0.297 30 20 DBED C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](O)NC(=O)OCC 1798267490 OXCDMUSZLMNNNO-NOHGZBONSA-N 323.349 -0.678 30 20 DBED C[C@H](S)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](N)CN)C2 1802288645 CAMHCYHABLUTSC-HHKYUTTNSA-N 300.428 -0.771 30 20 DBED CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835342983 VPGNORYOOUTCTQ-HNNXBMFYSA-N 307.350 -0.234 30 20 DBED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCNC(=O)[C@H]2C)CC1 121977526 HDQJVXAXWYOCQF-KGLIPLIRSA-N 321.425 -0.501 30 20 DBED N#C[C@H]1COCCN1C(=O)CN1C(=O)NC2(CCCCC2)C1=O 267228690 VTTHBFOOCIPFRA-NSHDSACASA-N 320.349 -0.008 30 20 DBED COCCOC(=O)CSc1c(C#N)c(=O)n(C)c(=O)n1C 278821898 TZYNEWPGLKQPFF-UHFFFAOYSA-N 313.335 -0.763 30 20 DBED C=CCN1CC[C@H](N2CCN(C(=O)C(=O)NC(C)C)CC2)C1=O 282106777 WOTNDZBEAWGPGM-ZDUSSCGKSA-N 322.409 -0.558 30 20 DBED CC(C)[C@H](Nc1c(C#N)c(=O)n(C)c(=O)n1C)c1nncn1C 286570040 LSGYSSYLPBEILK-JTQLQIEISA-N 317.353 -0.107 30 20 DBED C=CCCOCCNC(=O)C(=O)N(C[C@H](C)O)[C@@H](C)CO 289422108 PWRLUPGFQMPMGP-RYUDHWBXSA-N 302.371 -0.715 30 20 DBED Cn1nncc1C/N=C(/O)N1CCN(C(=O)[C@H]2CCCO2)CC1 329322539 UUVZSCOTXLHRER-GFCCVEGCSA-N 322.369 -0.448 30 20 DBED CN1C[C@H](N/C(O)=N/C[C@H]2CCCCS2(=O)=O)CC1=O 329659241 NZVDEHVVWGXOCH-NXEZZACHSA-N 303.384 -0.312 30 20 DBED CC(C)[C@H](/C(O)=N/CCn1ncnn1)N1CCCS1(=O)=O 329832193 KHUYFESHTJOVQO-SNVBAGLBSA-N 316.387 -0.310 30 20 DBED C=C(C)CS(=O)(=O)N(C)CC(=O)N[C@H]1CCS(=O)(=O)C1 331223330 DDFCIPCSJCDNDZ-JTQLQIEISA-N 324.424 -0.873 30 20 DBED C[C@H]1CN(C(=O)C(=O)N2CCc3ccc(C#N)cc32)CC(=O)N1 332248014 BFDUDPRFMJAWIL-JTQLQIEISA-N 312.329 -0.206 30 20 DBED C=CCOCC(=O)NCCS(=O)(=O)N1CCSCC1 337118550 BQDJCNSSOIJHLU-UHFFFAOYSA-N 308.425 -0.316 30 20 DBED CS(=O)(=O)N(Cc1nc(=N)[nH]c(=N)[nH]1)c1ccc(C#N)cc1 339935971 HYJZUWMBWQBYLX-UHFFFAOYSA-N 319.350 -0.465 30 20 DBED Cc1noc(C)c1S(=O)(=O)N[C@H](C)C(=O)N[C@H](C)C#N 340434528 QEUFREGDZLHKMM-HTRCEHHLSA-N 300.340 -0.013 30 20 DBED C=CCNC(=O)CNC(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O 347887689 BSAPURANZJIQDG-RYUDHWBXSA-N 321.377 -0.030 30 20 DBED CCn1cc(S(=O)(=O)NCCn2cnc(C#N)n2)nc1C 352639733 IUFLXPANWPCKGR-UHFFFAOYSA-N 309.355 -0.347 30 20 DBED COC(=O)CN(CC#N)C(=O)c1cnc2c(cnn2C)c1O 355570743 CUCHNAZSUYJRPD-UHFFFAOYSA-N 303.278 -0.187 30 20 DBED CNS(=O)(=O)[C@@H]1CCN(S(=O)(=O)N(C)[C@@H](C)CC#N)C1 369222915 CFMGYZIWRLSVII-VHSXEESVSA-N 324.428 -0.911 30 20 DBED Cc1cccc(NC(=O)C(=O)N2C[C@@H](O)C[C@@H]2CO)c1C#N 372653068 NNGDOMPYVLUCDY-MNOVXSKESA-N 303.318 -0.241 30 20 DBED C=CCn1cc(CNS(=O)(=O)N2CCO[C@H](C#N)C2)nn1 425177344 FZUZFGACOJMHLO-LLVKDONJSA-N 312.355 -0.977 30 20 DBED C=CCN(C)C(=O)C(=O)N1CCN([C@H](CC)C(=O)OC)CC1 459898031 CKYKEVBSUCACPW-GFCCVEGCSA-N 311.382 -0.273 30 20 DBED Cc1ncc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C(N)=O)C2)cc1C#N 489604195 JHWAZSRPAWTHSV-PRHODGIISA-N 324.362 -0.475 30 20 DBED C#CCNC(=O)CCNCC1CCN(S(C)(=O)=O)CC1 491667197 UTSBIXDQHWUKIH-UHFFFAOYSA-N 301.412 -0.613 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N[C@H]2Cc3cccc(O)c3C2)CCO1 558591384 BEUQNJUVPQIYRI-NWDGAFQWSA-N 323.374 -0.082 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N(C)[C@@H](COC)C(=O)O 582364111 VIKDLIIGOHPMGI-ZJUUUORDSA-N 307.372 -0.256 30 20 DBED N#Cc1cc(O)cc(C(=O)NCCOCCS(N)(=O)=O)c1 598733692 BMUMFNOEFRVDFV-UHFFFAOYSA-N 313.335 -0.701 30 20 DBED CC#CC[C@H](CO)NC(=O)[C@H](NS(=O)(=O)C1CC1)C(C)C 616505556 MZYVJXAGLTZAAI-DGCLKSJQSA-N 316.423 -0.017 30 20 DBED CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)N1CCO[C@@H](C#N)C1 619582293 BOTQPIHJVBKUEU-QWRGUYRKSA-N 310.354 -0.856 30 20 DBED CCN(CCC#N)S(=O)(=O)N[C@H](C)[C@H]1CN(C)CCO1 619712308 YOTNHNGKKRGOKX-VXGBXAGGSA-N 304.416 -0.225 30 20 DBED C=C(C)C[C@H](NC(=O)CNS(=O)(=O)CCCOC)C(=O)O 630319462 BAQANBGGMSTYGN-JTQLQIEISA-N 322.383 -0.522 30 20 DBED CC#CC[C@H](CO)NC(=O)[C@H]1CCCN1C(=O)CNC(C)=O 649188987 WMVMPEGECLIYCS-CHWSQXEVSA-N 309.366 -0.996 30 20 DBED C=CCC[C@@H](CO)NC(=O)C(=O)Nc1cnn(CCN(C)C)c1 651841274 LPMAMKBFZIPEGY-LBPRGKRZSA-N 323.397 -0.174 30 20 DBED CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)OC(=O)C(C)(CO)CO 754866987 YHSLHSOHVSBHEA-YGRLFVJLSA-N 300.355 -0.037 30 20 DBED C[C@@H]1NC(C(=O)NCC#CCO)=NN(c2ccccc2)C1=O 773549557 CTDVQVJPZMLBFV-NSHDSACASA-N 300.318 -0.563 30 20 DBED C#C[C@H](NC(=O)NCCS(=O)(=O)NC1CC1)[C@@H]1CCCO1 776116937 GXWXOHKLMOWVBJ-RYUDHWBXSA-N 315.395 -0.452 30 20 DBED Cn1c(Cl)cnc1CNS(=O)(=O)N1CCO[C@@H](C#N)C1 800044517 IXMBIQNOCPZYBP-QMMMGPOBSA-N 319.774 -0.368 30 20 DBED C=CCOC[C@H]1NC(=O)N(CCS(=O)(=O)NCC)C1=O 804161662 MTYVKYRSSMIDHW-SECBINFHSA-N 305.356 -0.951 30 20 DBED N#CCn1cc(NC(=O)C(=O)N2CCOCC(F)(F)C2)cn1 808957396 MNMCXLKFDOAFHT-UHFFFAOYSA-N 313.264 -0.161 30 20 DBED C#C[C@@H](NC(=O)C(=O)N(C)Cc1nccn1C)[C@@H]1CCCO1 809304651 NTNDMJOBBHYLSB-NEPJUHHUSA-N 304.350 -0.325 30 20 DBED C=CCCn1cc(C(=O)OCC(=O)NC(=O)NC2CC2)nn1 820982152 BOVNCPUXNNEILV-UHFFFAOYSA-N 307.310 -0.001 30 20 DBED C#CCCN1CCN(C(=O)[C@@H](C)NS(=O)(=O)CC)CC1 825078098 SZPIEYLBWBFFHY-GFCCVEGCSA-N 301.412 -0.518 30 20 DBED C#CCN(CC(=O)N[C@@H](COC)C(N)=O)C(=O)OC(C)(C)C 831340834 KSFWRBRXSYLNJZ-JTQLQIEISA-N 313.354 -0.527 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)/C=C(\C)COC)CC1 845441640 FONRXKMNYRXWBM-SDNWHVSQSA-N 307.394 -0.137 30 20 DBED C#CC[C@H](CO)NC(=O)[C@@H]1CCC[C@H]1C(=O)N[C@@H](CO)CC#C 854543427 BYSNCBVOMNEVGU-KBUPBQIOSA-N 320.389 -0.597 30 20 DBED COC(=O)[C@@H]1CC(F)(F)CN1S(=O)(=O)N(C)CCC#N 882643639 VLVRGMDKJVXGPB-QMMMGPOBSA-N 311.310 -0.041 30 20 DBED C#CC1(O)CN(C(=O)c2cc(S(=O)(=O)NC)ccc2C)C1 890520582 KHRPYQSWEZQXKM-UHFFFAOYSA-N 308.359 -0.277 30 20 DBED C#CC1(O)CN(C(=O)[C@@H](Cc2ccccc2)n2nnnc2C)C1 890522149 DKSZDXQQDHVKPP-CQSZACIVSA-N 311.345 -0.028 30 20 DBED C#CC1(O)CN(S(=O)(=O)c2cc(C(F)(F)F)nn2C)C1 908230343 WAGJODIJZJVTMO-UHFFFAOYSA-N 309.269 -0.193 30 20 DBED CN(C)CC#CCNC(=O)C1(O)CN(C(=O)OC(C)(C)C)C1 913522890 DIERLFLTTICMIZ-UHFFFAOYSA-N 311.382 -0.351 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C(N)=O)c[nH]1 937563573 PTVWMSBCIYFWEZ-LSJOCFKGSA-N 315.333 -0.301 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)c2cn(C)c(=O)cn2)C1 938418271 BQCDHIKMSDHAKY-UWVGGRQHSA-N 303.322 -0.729 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)[C@@H](C)C1 945184220 VRSYBDLJSAWTLW-RYUDHWBXSA-N 318.381 -0.773 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]1CNC(=O)c1cn2c(n1)COCC2 950805375 WOSZISWHXNPARS-QWRGUYRKSA-N 317.349 -0.096 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1cnn(C)n1 951095429 VWDGILFCQPOJHF-LOWVWBTDSA-N 319.365 -0.263 30 20 DBED C#CCN1C[C@H](CNC(=O)c2csc(NC(C)=O)n2)[C@@H](O)C1 958198714 AOEOIGYXZQIXLC-JQWIXIFHSA-N 322.390 -0.243 30 20 DBED CC(=O)NCc1ccc(C(=O)NC[C@@H]2CN(CC#N)C[C@H]2O)o1 958485928 SSFKGFWSFAVNNE-DGCLKSJQSA-N 320.349 -0.538 30 20 DBED C=CCN1C[C@@H](O)[C@@H](CNC(=O)c2cccn3c(O)nnc23)C1 958587308 HZBHGKCYLZNBBQ-CMPLNLGQSA-N 317.349 -0.357 30 20 DBED C=CCCN1C[C@@H](O)[C@H](CNC(=O)C2CCN(C(N)=O)CC2)C1 958658099 ULEJQOYEFGPYAV-ZIAGYGMSSA-N 324.425 -0.238 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1[C@@H]2CN(Cc3cnon3)C[C@@H]12 960347652 PPUYFXVLSXXEGN-MCIONIFRSA-N 315.377 -0.286 30 20 DBED CC#CCN1C[C@H]2C(NC(=O)[C@H]3CCCN(C(N)=O)C3)[C@@H]2C1 960897305 KJGPUEGVQKPKOF-YNEHKIRRSA-N 304.394 -0.153 30 20 DBED C=CCCn1cc(C(=O)N2C[C@H](O)[C@H](NC(=O)C3CC3)C2)nn1 961104076 XDUAKJSPNDJSMT-YPMHNXCESA-N 319.365 -0.434 30 20 DBED Cc1cnc(C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2O)cn1 961320703 KIDQYYBRKYTVHB-KGLIPLIRSA-N 314.345 -0.500 30 20 DBED C#Cc1ccc(C(=O)NC2[C@@H]3CN(Cc4nnnn4C)C[C@@H]23)nc1 962315691 AWUYMAAMXNTVIQ-VXGBXAGGSA-N 323.360 -0.553 30 20 DBED C=C1CC(C)(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@H]3CCN(C)C3)C2)C1 963382249 GETACZOHRLKCMT-MJBXVCDLSA-N 321.421 -0.018 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)c1ccnn1C 964106529 HTPOZXMRKJBCRN-GHMZBOCLSA-N 305.338 -0.463 30 20 DBED CCc1n[nH]cc1C(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 968684173 UKYAJVHFMIWMJK-KGLIPLIRSA-N 316.361 -0.313 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)[C@@H]3CN(CC)CCO3)C2)C1 972682973 KHBRWMDAULINPR-RDJZCZTQSA-N 321.421 -0.356 30 20 DBED C#Cc1ccc(C(=O)N(C)C[C@H]2CCN2C(=O)C(N)=O)cn1 978097124 LOQNDMUFNGIUJG-GFCCVEGCSA-N 300.318 -0.779 30 20 DBED C#CCCN1C[C@H]2[C@H](CNC(=O)[C@H]3CCS(=O)(=O)C3)[C@H]2C1 978429520 ZYHYYGVDUVALMR-XDQVBPFNSA-N 310.419 -0.262 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CCCCO2)C1 990854611 ORKHZBAPMPITHH-GJZGRUSLSA-N 319.405 -0.020 30 20 DBED C[C@@]1(C(=O)N2CC(NC(=O)c3ccc(C#N)[nH]3)C2)CCC(=O)N1 990896625 QIBQNTAYGJXMJW-HNNXBMFYSA-N 315.333 -0.504 30 20 DBED C=CC(C)(C)C(=O)N1CC(NC(=O)Cn2ccc(O)nc2=O)C1 995044364 SBQACMNEMZFFOE-UHFFFAOYSA-N 320.349 -0.512 30 20 DBED C#Cc1ccc(C(=O)N2CC(NC(=O)Cc3nc[nH]n3)C2)cc1 1000185267 LMYKSGYCNJGFFW-UHFFFAOYSA-N 309.329 -0.031 30 20 DBED NC(=O)[C@H]1CC[C@@H]1C(=O)NCC1CN(C(=O)C#CC2CC2)C1 1003547112 DWDANDHEOFWAKD-STQMWFEESA-N 303.362 -0.514 30 20 DBED C#Cc1cncc(C(=O)N2CC(CNC(=O)c3cnon3)C2)c1 1003813986 KNTJKLFHWQSMQS-UHFFFAOYSA-N 311.301 -0.052 30 20 DBED C=C1CCC(C(=O)N2CC(CNC(=O)[C@@H]3CNC(=O)N3)C2)CC1 1003946554 KJUYVZSGRAZDAE-ZDUSSCGKSA-N 320.393 -0.011 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C(=O)C[C@@H]2CCN(C)C2=O)CC1 1011275960 LXAJSQSOMRYSJZ-NEPJUHHUSA-N 306.366 -0.315 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C(=O)c2cc(C(N)=O)co2)CC1 1012330821 NSVQFMVFXWISBV-SECBINFHSA-N 304.306 -0.177 30 20 DBED N#Cc1c[nH]c(C(=O)N2C[C@H]3C(NC(=O)Cn4cccn4)[C@@H]3C2)c1 1012772724 AFMXLAKPLBQVNJ-VXGBXAGGSA-N 324.344 -0.030 30 20 DBED N#Cc1ccc(C(=O)N2C[C@@H]3C(NC(=O)Cn4ccnc4)[C@H]3C2)[nH]1 1013334219 ACZWUKNEVDTFMX-RYUDHWBXSA-N 324.344 -0.030 30 20 DBED Cn1c(C(=O)N[C@@H]2CCN(CC#N)C2)c2n(c1=O)CCCC2 1015713687 QXOCIGJHIPQTCV-LLVKDONJSA-N 303.366 -0.149 30 20 DBED N#CCN1CCC2(CC1)C[C@@H]2NC(=O)C[C@@H]1CC(=O)NC1=O 1017003476 LTPQCZHIXHSCJH-MNOVXSKESA-N 304.350 -0.467 30 20 DBED O=C(C#CC1CC1)N1CCC2(C1)CN(C(=O)[C@H]1COCCO1)C2 1018812876 KXOCLKSOIPRNAY-CQSZACIVSA-N 318.373 -0.124 30 20 DBED Cc1cc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2O)c(C)nn1 1023887239 QPQABUACTPLVIV-BZHVJNSISA-N 317.349 -0.445 30 20 DBED C=C[C@](C)(CC)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnn(C)n2)C1 1024659459 UIAZIFXYPJGHOY-LALPHHSUSA-N 321.381 -0.281 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1[C@@H]2CN([C@@H](C)C(N)=O)C[C@@H]21 1025814100 SFXCVRAUHNQBGW-PDWCTOEPSA-N 304.394 -0.996 30 20 DBED C#CCN(C)[C@H]1CCCN(C(=O)CN2C(=O)NC(C)(C)C2=O)C1 1027670624 KDJZJMHJLBJCIR-LBPRGKRZSA-N 320.393 -0.127 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCC1CN(Cc2nnnn2C)C1 1031987682 XIVQSNJUANKBFY-NEPJUHHUSA-N 306.370 -0.651 30 20 DBED C#CCCN1CCO[C@@H](CNC(=O)c2cc(C(N)=O)cn2C)C1 1035438231 YKKGLYYTCVHOIW-ZDUSSCGKSA-N 318.377 -0.422 30 20 DBED N#Cc1cc(C(=O)NC[C@@H]2CCN2[C@@H]2CCCNC2=O)c[nH]1 1038173672 CCRGROSKWLXHLU-QWHCGFSZSA-N 301.350 -0.031 30 20 DBED N#CCN1CC[C@H]([C@@H]2CCCCN2C(=O)Cn2cnnn2)C1 1039187002 PWOZEJWVFCDSNV-STQMWFEESA-N 303.370 -0.100 30 20 DBED Cc1nnc(CC(=O)NC[C@]2(O)CCN(C(=O)[C@H](C)C#N)C2)o1 1039616522 SBJYAUGZDQXZAR-YMTOWFKASA-N 321.337 -0.840 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)CCc2ccon2)C1 1040294558 ODRRGYUDVFNUKN-IAQYHMDHSA-N 320.349 -0.154 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@](O)(CNC(=O)c2cnn(C)n2)C1 1040305900 MRGVLTFXWRUZHA-HNNXBMFYSA-N 321.381 -0.280 30 20 DBED C=CCCC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2CCNC2=O)C1 1040486435 UEXSAPDENBNUKV-ABAIWWIYSA-N 309.366 -0.832 30 20 DBED CCN(C)CCC(=O)NC[C@]1(O)CCN(C(=O)[C@@H](C)C#N)C1 1040901412 IOBXMLUIMWAWCW-SWLSCSKDSA-N 310.398 -0.433 30 20 DBED N#Cc1cccnc1N1C[C@@H](O)[C@H](NC(=O)Cc2ncc[nH]2)C1 1041132716 GEYQGDBZSMFMHI-VXGBXAGGSA-N 312.333 -0.415 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)c2ccc(O)nn2)C1 1041340309 GQGKTRSEEVNGAQ-UHFFFAOYSA-N 306.322 -0.549 30 20 DBED O=C(NCC1(O)CN(C(=O)C#CC2CC2)C1)c1ccnc(O)c1 1042509536 CWDHAHBNSYHBBQ-UHFFFAOYSA-N 315.329 -0.496 30 20 DBED CN(C(=O)c1cc(C#N)c[nH]1)C1CN([C@H]2CCC(=O)NC2=O)C1 1042590099 STTSZSBCQVDETP-LBPRGKRZSA-N 315.333 -0.552 30 20 DBED Cc1cnccc1C(=O)NCC1(O)CN(C(=O)[C@@H](C)C#N)C1 1042926359 FNJCTJQZHDTQQX-JTQLQIEISA-N 302.334 -0.147 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)[C@H](C)OCC=C)C1 1043041768 KEZSMANLSWMKHA-STQMWFEESA-N 324.377 -0.695 30 20 DBED Cn1ccc(C(=O)N[C@@H]2CN(c3ncccc3C#N)C[C@@H]2O)n1 1043971587 LPEARHOISPAOAC-OLZOCXBDSA-N 312.333 -0.334 30 20 DBED C=C(Cl)CN1CC[C@@H](N2CCN(C(=O)CC(N)=O)CC2)C1 1046016252 FDRMIZNDYWUPEH-GFCCVEGCSA-N 314.817 -0.167 30 20 DBED C#CCN1CC[C@H](N2CCN(C(=O)c3cnnn3C)CC2)C1 1046027037 IOQDLXKVAGYVOC-ZDUSSCGKSA-N 302.382 -0.720 30 20 DBED C#CCN1CC[C@@H](N2CCN(C(=O)[C@@]34COC[C@@H]3C4)CC2)C1 1046033097 QYWXNDGUGIHNLQ-UXLLHSPISA-N 303.406 -0.125 30 20 DBED Cc1ccn(CC(=O)NCC2(O)CN(C(=O)[C@@H](C)C#N)C2)n1 1046767992 OYALEHAOTPJLOX-JTQLQIEISA-N 305.338 -0.959 30 20 DBED CN(C(=O)Cn1ccc(C(F)F)n1)[C@H]1CN(CC#N)C[C@@H]1O 1047406475 YHXPKUZGLAXOKD-QWRGUYRKSA-N 313.308 -0.152 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)C(=O)N2CCC(C)CC2)C1 1047554334 BJTWSSUEEOCYCH-GJZGRUSLSA-N 321.421 -0.228 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)N2CCCCC2=O)C1 1047639396 VFWDGQZHQJSKAF-ILXRZTDVSA-N 321.421 -0.086 30 20 DBED C#CCN1C[C@H]2CN(C(=O)C[C@@H]3CCCS3(=O)=O)C[C@H]2C1 1048960322 WTANKGMFAULENQ-MJBXVCDLSA-N 310.419 -0.023 30 20 DBED C=CC(C)(C)C(=O)N(C)[C@H]1CN(C(=O)Cc2nc[nH]n2)C[C@@H]1O 1049176239 JVDIYLYRPLDCEN-QWRGUYRKSA-N 321.381 -0.411 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)c2cnsn2)C[C@@H]1O 1049388766 QKGHRFSUPURLAR-HGNGGELXSA-N 309.351 -0.659 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)c2csnn2)C[C@@H]1O 1049402589 VKEBCDUQENCLKY-JEZHCXPESA-N 309.351 -0.659 30 20 DBED CC(=O)NCC(=O)N1C[C@@H](C)[C@H](CNC(=O)C#CC2CC2)C1 1051824801 JWGMEKMTVQCVAD-BXUZGUMPSA-N 305.378 -0.253 30 20 DBED C[C@@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1CNC(=O)C#CC1CC1 1051923177 VSELCPCLTNVHDY-YPMHNXCESA-N 316.365 -0.703 30 20 DBED C#CCN1CCN([C@@H]2CCN(C(=O)[C@@H]3CN(C)CCO3)C2)CC1 1051998835 BETKWAQRNWJJNG-CVEARBPZSA-N 320.437 -0.831 30 20 DBED NC(=O)C(=O)N1CCOC2(CN(CC#Cc3ccccc3)C2)C1 1053404478 HINYHPIDTHSMDL-UHFFFAOYSA-N 313.357 -0.563 30 20 DBED C=CCN1CC2(C1)CN(C(=O)c1ccc(=O)n(CC)n1)CCO2 1053474541 MPVSVDAVAPWUJS-UHFFFAOYSA-N 318.377 -0.024 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)Cn2cncn2)C[C@@H]1C 1053477642 DFBKRMREGSVJMY-QWHCGFSZSA-N 321.381 -0.309 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)c3c[nH]c(C(N)=O)c3)CO2)C1 1054009232 RSRUMQATVGOIBR-NSHDSACASA-N 302.334 -0.680 30 20 DBED CC(C)C#CC(=O)N1C[C@H]2CN(C(=O)CNC(N)=O)C[C@H]2C1 1055155795 NRPDAJDYGQUIIG-TXEJJXNPSA-N 306.366 -0.769 30 20 DBED CC(C)C#CC(=O)N1C[C@@H]2CN(C(=O)CCNC(N)=O)C[C@@H]2C1 1055329357 OXKDBUHYYYFIGR-BETUJISGSA-N 320.393 -0.379 30 20 DBED Cn1ccc(CC(=O)N2CCN(c3nccnc3C#N)CC2)n1 1055800223 BNEDJEHOEDQXHV-UHFFFAOYSA-N 311.349 -0.027 30 20 DBED C[C@H](C#N)C(=O)N[C@@]1(CO)CCCN(C(=O)CC2(O)CCC2)C1 1056094912 YROINERDYFMMEE-DOMZBBRYSA-N 323.393 -0.079 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)Cn1cncc1C 1057199388 RXNMAZUODLKSPZ-UHFFFAOYSA-N 324.381 -0.669 30 20 DBED C=C[C@](C)(O)CC(=O)NCCN(CCO)C(=O)[C@H]1CC1(F)F 1057503212 FUWINIPRKSPFHH-MFKMUULPSA-N 320.336 -0.094 30 20 DBED C#CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)c1cc(C)[nH]n1 1057583165 IJGSZJCWUNNMMG-LBPRGKRZSA-N 322.365 -0.693 30 20 DBED C#CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)c1cc[nH]c1 1057843043 GZTRVXMZCQPMGZ-LBPRGKRZSA-N 307.350 -0.396 30 20 DBED N#Cc1cnc(N2CC[C@@H](NC(=O)[C@H]3COC(=O)N3)C2)c(F)c1 1058350497 MIRYJVQXDJROBX-MWLCHTKSSA-N 319.296 -0.104 30 20 DBED N#Cc1ccc(N[C@H]2C[C@H](NC(=O)CN3CCOCC3)C2)nn1 1059186739 FXNIIGAZFHFZLJ-JOCQHMNTSA-N 316.365 -0.260 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@H](CCNC(=O)C(N)=O)C2)c1 1059428424 WLHYPKPFCXARPD-VIFPVBQESA-N 303.322 -0.660 30 20 DBED C#CCOCCC(=O)N1CC[C@H](CCNC(=O)CC(N)=O)C1 1059644401 PUNBWZNVWIEBQM-LBPRGKRZSA-N 309.366 -0.744 30 20 DBED C=CCOCC(=O)NC[C@@H]1COCCN1C(=O)CC(C)(C)O 1061422788 BNHHGUHPLKAJKC-GFCCVEGCSA-N 314.382 -0.306 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)CCc1cn[nH]c1 1061618588 GSPSCDJWPCYQNS-DGCLKSJQSA-N 319.365 -0.154 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)COCC(F)F 1061720765 SDOWAKUUMRUNEZ-UWVGGRQHSA-N 319.308 -0.229 30 20 DBED Cc1cc(C#N)nc(N[C@H]2CC[C@H](NC(=O)C(N)=O)CC2)n1 1063398500 VCEQMLVEZLUHIO-MGCOHNPYSA-N 302.338 -0.019 30 20 DBED C=CCO[C@H](C)C(=O)NCC1(NC(=O)CNC(C)=O)CCC1 1063425525 JSELNOUPHYQPML-LLVKDONJSA-N 311.382 -0.131 30 20 DBED C=CCO[C@@H](C)C(=O)NC[C@H]1CN(C(=O)CCOC)CCO1 1064736273 RUAPUSMWWDEWQL-STQMWFEESA-N 314.382 -0.042 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CN(C(=O)c2ccnnc2)CCO1 1065666887 CEVCANCLBJLLMP-PWSUYJOCSA-N 303.322 -0.407 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H]2CN(c3ncccn3)C[C@@H]2O)c1 1067660824 MAXWORSFRKUVKF-AAEUAGOBSA-N 312.333 -0.097 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1COC2(C1)CN(C(=O)c1cc[nH]n1)C2 1069004570 XCQJZTMBORJWJB-ZJUUUORDSA-N 303.322 -0.331 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1COC2(C1)CN(C(=O)c1ccnnc1)C2 1069008797 VHOWOOGQZRUFQX-ZYHUDNBSSA-N 315.333 -0.264 30 20 DBED Cn1nnc(C(=O)NCc2c[nH]nc2[C@H]2CCN(CC#N)C2)n1 1070419675 GATNHAXERLCMRC-VIFPVBQESA-N 315.341 -0.824 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1 1070624287 FDANGULXDNFZPF-GFCCVEGCSA-N 317.349 -0.257 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CCCN(C(=O)c2nnc(O)nc2O)C1 1071033885 YGMXCBHXBZZQBO-JGVFFNPUSA-N 320.309 -0.837 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(C(=O)c2ccoc2)C[C@@H]1C 1071590352 DYFVMVBNISMOGQ-WCQYABFASA-N 317.345 -0.004 30 20 DBED CNC(=O)CC(=O)N1C[C@H](C)[C@@H](NC(=O)CSCC#N)C1 1071963288 OMLIXRWCDPEEMA-UWVGGRQHSA-N 312.395 -0.658 30 20 DBED CNC(=O)NCC(=O)N1CCC(C)(NC(=O)[C@@H](C)C#N)CC1 1073088679 STFMTQXJGNHQEL-JTQLQIEISA-N 309.370 -0.428 30 20 DBED C=CCn1cccc1C(=O)NC[C@H]1CN(CC(N)=O)CCCO1 1073637128 QYUDZOIKZAYPAG-ZDUSSCGKSA-N 320.393 -0.020 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CCN(C(=O)[C@@H]2CCCN2C)CC1 1074518900 WKKSVTPCULSFBO-STQMWFEESA-N 322.409 -0.290 30 20 DBED C[C@H](C#N)C(=O)N1CCC(O)(CNC(=O)[C@H]2CCOC2)CC1 1074704795 IMTUDGRNGKDCEH-NEPJUHHUSA-N 309.366 -0.348 30 20 DBED C=CCN1CC[C@H](N2C[C@@H](O)[C@H](NC(=O)c3cc[nH]c3)C2)C1=O 1077042585 NDFLDRUEDUKMIM-HZSPNIEDSA-N 318.377 -0.424 30 20 DBED CN1CC[C@H](NC[C@H]2CN(C(=O)C#CC3CC3)CCCO2)C1=O 1078398801 UFCNGCIWRBBHDF-GJZGRUSLSA-N 319.405 -0.162 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)c2ccnnc2)C[C@H]1O 1081465102 BIDYKKHDQPVQSU-ZIAGYGMSSA-N 316.361 -0.315 30 20 DBED C#CCOCCC(=O)NC[C@H]1CN(C(=O)c2ccoc2)C[C@H]1O 1081485052 FDDBLETTWAPRNY-UONOGXRCSA-N 320.345 -0.131 30 20 DBED C=CCCCC(=O)NC[C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1O 1081705909 WFPMERHGXGDKKF-CHWSQXEVSA-N 321.381 -0.430 30 20 DBED C=CCCN1C[C@@H](NC(=O)CN2CCN(C)C(=O)C2)[C@H](OC)C1 1081868280 DDIKVVMSSYIEHZ-ZIAGYGMSSA-N 324.425 -0.848 30 20 DBED C=C(Cl)CN1C[C@@H](NC(=O)[C@H]2CCNC2=O)[C@H](OC)C1 1082019532 CPHKVILRFAGRIS-HBNTYKKESA-N 301.774 -0.310 30 20 DBED C=CCCN1C[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)[C@H](OC)C1 1082324538 QWWNDIDMRHQPQF-VXGBXAGGSA-N 324.381 -0.728 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)Cc1cncnc1 1083064803 BJDMXDMFMNUAQE-LSDHHAIUSA-N 300.362 -0.046 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cccc(C(N)=O)c1 1083122647 IAFFYLAWTONYHI-UONOGXRCSA-N 314.345 -0.166 30 20 DBED Cn1ccnc1CN1C[C@H](O)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 1083414018 HZRSIFLPJFWEHE-OLZOCXBDSA-N 314.349 -0.405 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCc3nncn3C2)C1 1084085930 KDKBRNWTFGHKPK-UPJWGTAASA-N 303.366 -0.975 30 20 DBED CCO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1CNCc1nncn1C 1087036046 XBHVAVKUNXZPET-JHJVBQTASA-N 320.397 -0.072 30 20 DBED CC#CCN1CC[C@H](NC(=O)CN2CCN(C)C(=O)C2)[C@H]1C 1088675110 COZHPBBDKCRYOU-KGLIPLIRSA-N 306.410 -0.637 30 20 DBED C[C@@H](C[C@@H](C)N=c1cc[nH]c(C#N)n1)NC(=O)c1nc[nH]n1 1089374831 MRCBYLMCRRFNJW-BDAKNGLRSA-N 300.326 -0.103 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2cn3cccnc3n2)[C@@H](O)C1 1090384220 IVWIHUDIIKHVGU-PWSUYJOCSA-N 300.322 -0.582 30 20 DBED CCOCCC(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1O 1090385693 IVWVXANTPLVTKB-GHMZBOCLSA-N 305.338 -0.559 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2ccc3nnnn3c2)[C@H](O)C1 1090431359 WSYUWKHYINJMSE-QWHCGFSZSA-N 314.349 -0.687 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2nnc3ccccc3n2)[C@H](O)C1 1090434556 ZTGRTKNSMOXVQJ-ZIAGYGMSSA-N 311.345 -0.177 30 20 DBED C[C@@]12CN(CC#N)C[C@@H]1CN(C(=O)CN1CCCNC1=O)C2 1091817503 RIZDIKUNZMXPKF-DOMZBBRYSA-N 305.382 -0.294 30 20 DBED C=CCN1C[C@@H]2CN(C(=O)CCn3ncn(C)c3=O)C[C@]2(C)C1 1091881348 CXEYEOHAAJWXBI-CJNGLKHVSA-N 319.409 -0.062 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)[C@@H]3CCNC3=O)c3nccn32)C1 1092385775 XWKBBFYHWBZJBW-VXGBXAGGSA-N 313.361 -0.776 30 20 DBED CCNC(=O)CC(=O)N1CCN(c2nc(C)cc(C#N)n2)CC1 1093148683 MNCVNLAHATWSBC-UHFFFAOYSA-N 316.365 -0.169 30 20 DBED CC(C)[C@@H](O)C(=O)NC1[C@@H]2CN(c3nccnc3C#N)C[C@@H]12 1093260988 SHVQSVANCDAHNC-GIPNMCIBSA-N 301.350 -0.084 30 20 DBED N#Cc1nccnc1NCCNC(=O)[C@H]1CCc2nn[nH]c2C1 1093761147 SIQZWSRAVZSHGS-VIFPVBQESA-N 312.337 -0.200 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)c3cccc(O)n3)CC2=O)C1 1094724016 QTEUYCFTLWQKMF-LLVKDONJSA-N 314.345 -0.565 30 20 DBED CN1C(=O)CC[C@@H]1C(=O)NCCCN=c1cc[nH]c(C#N)n1 1094732335 HMEKYDHEJWRZEE-SNVBAGLBSA-N 302.338 -0.691 30 20 DBED Cc1ccc(C#N)c(N2CCCN(C(=O)CNC(N)=O)CC2)n1 1095164648 ZYIHQNYCFFZCAW-UHFFFAOYSA-N 316.365 -0.031 30 20 DBED CS(=O)(=O)CCC(=O)N[C@@H]1CCN(c2ccc(C#N)nn2)C1 1096502944 XZRYNQGUAGPMQM-LLVKDONJSA-N 323.378 -0.522 30 20 DBED N#Cc1cccnc1N[C@@H](CNC(=O)CNC(N)=O)C1CC1 1096565970 QGLUMVJQORIVKF-NSHDSACASA-N 302.338 -0.072 30 20 DBED C[C@H](CC(N)=O)C(=O)N1CC[C@H](N=c2cc[nH]cc2C#N)C1 1096973781 RNKMJDVKUYFLMD-PWSUYJOCSA-N 301.350 -0.101 30 20 DBED C[C@@H](CNC(=O)CN1CCCC1=O)N=c1cc[nH]c(C#N)n1 1097695965 HNHDGRNBWGERPS-JTQLQIEISA-N 302.338 -0.691 30 20 DBED Cc1c(C(=O)NC[C@@H](C)N=c2cc[nH]c(C#N)n2)nnn1C 1097727740 MTYJEGOJGDSVIA-MRVPVSSYSA-N 300.326 -0.563 30 20 DBED Cn1cc(CCC(=O)N2CCC(N(CC#N)CCO)CC2)nn1 1098583795 DRYJXMNWXLWULG-UHFFFAOYSA-N 320.397 -0.443 30 20 DBED CC#CCNCc1cn([C@@H]2CCN(C(=O)CC(=O)NC)C2)nn1 1098658546 GOBDGNKJEPODRZ-CYBMUJFWSA-N 318.381 -0.700 30 20 DBED C=CCNCc1cn([C@@H]2CCN(C(=O)c3ncn(C)n3)C2)nn1 1098666749 GBLRTMGWSBVPCP-GFCCVEGCSA-N 316.369 -0.231 30 20 DBED C[C@@H](CCNC(=O)CCNC(N)=O)Nc1nccnc1C#N 1099141998 WIAYMVLPDUXDES-VIFPVBQESA-N 305.342 -0.287 30 20 DBED C[C@H](CCNC(=O)[C@H]1CN(C)C(=O)N1)N=c1cc[nH]cc1C#N 1099617406 USJIOGFGGYPZMF-ZWNOBZJWSA-N 316.365 -0.295 30 20 DBED C=CCCCCCN1CC[C@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 1099645028 MVHIOKNYNXEBDF-KBPBESRZSA-N 322.413 -0.029 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)c2cscn2)[C@@H](O)C1 1099716612 YDYKTDOUVDYBOL-JQWIXIFHSA-N 324.406 -0.390 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)[C@H](O)C1 1099782741 GAZBWAZXQGNALT-LSDHHAIUSA-N 316.361 -0.299 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)C2CC(C)(C)C2)[C@H](O)C1 1099801822 KQLNBHSFHHRPJA-UONOGXRCSA-N 321.421 -0.277 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)c2nocc2C)[C@H](O)C1 1100064098 IBPBLCGNHIJNMF-NWDGAFQWSA-N 322.365 -0.550 30 20 DBED Cc1nc(C)n(CCCC(=O)N[C@H]2CCN(CC#N)C[C@@H]2O)n1 1100071772 JRRQAHFZPPKGBV-KBPBESRZSA-N 320.397 -0.250 30 20 DBED COCC#CCNC1CC(CNC(=O)CCc2nc[nH]n2)C1 1100229591 PYPKMVTZTWTLGB-UHFFFAOYSA-N 305.382 -0.129 30 20 DBED CO[C@H](C(=O)NCCN(C)c1cncc(C#N)n1)[C@@H]1CCOC1 1100250524 GPZXHFADZSSNQT-RISCZKNCSA-N 319.365 -0.048 30 20 DBED C#CCNC(=O)CC(=O)NCC1CC(NCc2csnn2)C1 1100261659 IVMVNYHQUKCVTI-UHFFFAOYSA-N 321.406 -0.338 30 20 DBED CCN(CCNC(=O)C(N)=O)c1ccc([N+](=O)[O-])cc1C#N 1100706015 IBDTVXJVJINBFN-UHFFFAOYSA-N 305.294 -0.106 30 20 DBED CCCN(CCNC(=O)Cn1cncn1)c1nccnc1C#N 1101145647 VIMFDCLLQIXCAR-UHFFFAOYSA-N 314.353 -0.027 30 20 DBED CCC(=O)NCC(=O)N1C[C@H]2CN(CC#CCOC)C[C@@]2(C)C1 1101178881 BBLZHOLXGLGMNS-PBHICJAKSA-N 321.421 -0.057 30 20 DBED CCCN(CCNC(=O)[C@H]1CNC(=O)N1)c1ccc(C#N)nc1 1101235797 IGKRZGURNUUSIF-CYBMUJFWSA-N 316.365 -0.033 30 20 DBED CN(CCNc1cncc(C#N)n1)C(=O)[C@@]1(C)CCNC1=O 1101959331 PYKHEHOJCPCUPX-AWEZNQCLSA-N 302.338 -0.255 30 20 DBED COCC(=O)N[C@H](C)C(=O)N(C)CCNc1ccc(C#N)nc1 1102008349 NUOGLKMAAXDFTL-LLVKDONJSA-N 319.365 -0.025 30 20 DBED C[C@H](CNC(=O)C[C@@H](C)NC(N)=O)CNc1nccnc1C#N 1104099360 MAUVCTBZTBJYMC-NXEZZACHSA-N 319.369 -0.041 30 20 DBED C#CCCNCc1cn(C2CN(C(=O)c3[nH]nnc3C)C2)nn1 1105294756 DYONESRKXGSJIR-UHFFFAOYSA-N 314.353 -0.485 30 20 DBED Cn1ccc(C(=O)NC[C@@H](O)CN=c2cc[nH]cc2C#N)n1 1105856204 PNLIARWCZDHVBI-NSHDSACASA-N 300.322 -0.689 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H](O)CNc2cncc(C#N)n2)nc1 1105908236 KXEFJRKBSFKNLY-ZDUSSCGKSA-N 322.328 -0.073 30 20 DBED C[C@@H]1CCN(CC(=O)NC[C@@H](O)CNc2cnc(C#N)cn2)C1 1106104081 HGHBAADYPMKQKB-YPMHNXCESA-N 318.381 -0.421 30 20 DBED Cc1ccn(CC(=O)NC[C@H](O)CNc2cnc(C#N)cn2)n1 1106110357 OFRZDCGXPXOTBC-GFCCVEGCSA-N 315.337 -0.558 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)Cc2cscn2)nn1 1106126619 OHGQNEHJKIOOCA-LLVKDONJSA-N 318.362 -0.064 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)Cc2cnc[nH]2)cn1 1106130548 VXFVJXLGDKARNS-ZDUSSCGKSA-N 300.322 -0.192 30 20 DBED CNC(=O)NCCC(=O)N[C@@H](C)CCN=c1cc[nH]c(C#N)n1 1106317233 UWZCYBBPGGUMMX-JTQLQIEISA-N 319.369 -0.604 30 20 DBED C=CCN1CCO[C@](C)(CNC(=O)[C@@H](C)N2C(=O)CCC2=O)C1 1107982507 BEYYMMQOFLPKIH-MLGOLLRUSA-N 323.393 -0.083 30 20 DBED C[C@H](CN=c1cc[nH]cc1C#N)NC(=O)[C@@H]1CN(C)C(=O)N1 1108041066 BHFNGYGHITVQEB-SKDRFNHKSA-N 302.338 -0.685 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)CCN2C(=O)CCC2=O)C1 1108057610 IRTBOYDOWVCVQD-MRXNPFEDSA-N 321.377 -0.634 30 20 DBED C#CCCN1CCO[C@@](C)(CNC(=O)[C@H](C)N2CCOCC2)C1 1108446602 DQQARDORAULVQK-RDJZCZTQSA-N 323.437 -0.063 30 20 DBED CC(=O)N[C@@H](C)C(=O)N[C@@H](C)CN(C)c1ccnc(C#N)n1 1108817510 CXWNFOVGFCTWOP-UWVGGRQHSA-N 304.354 -0.186 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1[C@H]2C[C@H]1N(c1cncc(C#N)n1)C2 1109704403 SNWNPJMKDAJNSS-IETSOEAISA-N 324.344 -0.819 30 20 DBED CC(C)(C(N)=O)C(=O)N[C@H](CN=c1cc[nH]c(C#N)n1)C1CC1 1109919274 LORMPFZUPPHBTO-SNVBAGLBSA-N 316.365 -0.412 30 20 DBED CN1CCOC[C@@H]1C(=O)NCC1(Nc2cnc(C#N)cn2)CC1 1110110120 BIYFKMJHUIUKCH-GFCCVEGCSA-N 316.365 -0.260 30 20 DBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H]1CCNC1=O 1110893262 DJKFTQLFSFXAJU-XQHKEYJVSA-N 320.393 -0.854 30 20 DBED CN(CCCN(C)c1cncc(C#N)n1)C(=O)[C@@H]1COC(=O)N1 1112075052 INBJMJCNNALFGO-NSHDSACASA-N 318.337 -0.259 30 20 DBED Cc1cc(C#N)nc(N[C@H](C)[C@@H](C)NC(=O)Cn2ncnn2)n1 1113192870 CJONHSOMEXJPPI-NXEZZACHSA-N 315.341 -0.352 30 20 DBED C[C@@H](CNC(=O)c1nnn(C)n1)N(C)c1cncc(C#N)n1 1113815106 UITHXBLBOCLGPX-QMMMGPOBSA-N 301.314 -0.874 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@H](CNc2nccn3nnnc23)C1 1114748926 NNLNEPKXQZNAET-OPRDCNLKSA-N 300.326 -0.014 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@H](CNc2ccc3nnnn3n2)C1 1114749429 WRRXOPPNIPCKPZ-GUBZILKMSA-N 300.326 -0.014 30 20 DBED C[C@@H](CC(N)=O)C(=O)N[C@H]1C[C@H](CN=c2cc[nH]c(C#N)n2)C1 1114805231 YPNKYPLJKHONII-DCAQKATOSA-N 316.365 -0.412 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3ocnc3CC)[C@H]2C1 1114806502 XCGGXNLQGVHEFO-QWRGUYRKSA-N 316.361 -0.354 30 20 DBED C=CCCCN1C[C@H]2C(NC(=O)CN3C(=O)CN(C)C3=O)[C@@H]2C1 1115212842 LKBQZXMSNQFWBF-VXGBXAGGSA-N 320.393 -0.107 30 20 DBED C#CCC[C@H](O)CNC(=O)c1cn(Cc2noc(C)n2)nn1 1116902475 GGIVAOIVDXCHLE-JTQLQIEISA-N 304.310 -0.478 30 20 DBED C#CCOCCNC(=O)C(=O)N[C@H]1CCO[C@]2(CCOC2)C1 1117526179 LNNIAFXCWKSELO-SWLSCSKDSA-N 310.350 -0.793 30 20 DBED N#CCCN1CCN(C(=O)C(=O)N2CC[C@@](O)(C3CC3)C2)CC1 1119015132 KAGZVTWQYVBYQC-INIZCTEOSA-N 320.393 -0.582 30 20 DBED N#Cc1nccnc1N[C@H](CO)CNC(=O)c1cc[n+]([O-])cc1 1121011537 XGEBEBOIMBRYJC-NSHDSACASA-N 314.305 -0.816 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@H](CO)N=c1cc[nH]cc1C#N 1121405119 KWUFFTAGSNWYOM-WFASDCNBSA-N 304.350 -0.409 30 20 DBED COCCOCCC(=O)NC[C@@H](CO)Nc1nccnc1C#N 1121700858 VZLKCQWHGLGARU-NSHDSACASA-N 323.353 -0.710 30 20 DBED CCn1cnc(C(=O)NC[C@H](CO)N=c2cc[nH]c(C#N)n2)c1 1121855320 VGWYUXWHCCNOCL-SNVBAGLBSA-N 315.337 -0.811 30 20 DBED C[C@H]1CCCN1CC(=O)NC[C@@H](CO)Nc1cnc(C#N)cn1 1122525913 GOLJRLPHHVBGNI-AAEUAGOBSA-N 318.381 -0.278 30 20 DBED N#Cc1cncc(N[C@H](CO)CNC(=O)CCc2cn[nH]c2)n1 1122704759 QFQQLRKTPUSNPQ-LBPRGKRZSA-N 315.337 -0.407 30 20 DBED N#CC1(OCCOC(=O)[C@@H]2CSCC(=O)N2)CCOCC1 1123031879 FSWNUBWORVPDSU-JTQLQIEISA-N 314.363 -0.149 30 20 DBED CNC(=O)NCC(=O)N1CC[C@H](N=c2cc[nH]cc2C#N)[C@H]1C 1123112704 ZFOZRJQTVCMQGP-PWSUYJOCSA-N 316.365 -0.295 30 20 DBED COC[C@H](C)OC[C@@H](O)CNCCNC(=O)CSCC#N 1123792558 ZDFORSXIRNFVSJ-RYUDHWBXSA-N 319.427 -0.639 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)[C@H](C)SC 1123941559 BDOKDQFOPCMMKD-VIFPVBQESA-N 302.400 -0.545 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]cc1C#N)C(=O)[C@@H]1CCCO1 1124066040 QQQSCIVFTORQPZ-JSGCOSHPSA-N 304.350 -0.215 30 20 DBED CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)c1cc(C#N)c[nH]1 1125370415 NVPVIZJVSGGQQN-MRVPVSSYSA-N 306.326 -0.950 30 20 DBED C#CCNC(=O)CC(=O)NCCNCC(=O)N1CCC[C@H](C)C1 1125977821 GYICTPHQSIKFMF-ZDUSSCGKSA-N 322.409 -0.910 30 20 DBED N#Cc1cncc(N2CC=C(CNC(=O)CNC(N)=O)CC2)n1 1127546657 BYWOTBPAXYLAJQ-UHFFFAOYSA-N 315.337 -0.731 30 20 DBED N#Cc1ccc(N2CC=C(CNC(=O)Cn3ncnn3)CC2)nc1 1127700393 XHVAQHYCKJVKSQ-UHFFFAOYSA-N 324.348 -0.107 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCN[C@H](C)C(=O)NCC=C 1129790735 HBFXRAGZVRYPNO-KGLIPLIRSA-N 306.410 -0.520 30 20 DBED CC#CCN[C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@@H]1n1ccnn1 1129910224 JGHSZFOWEKBXJE-KFWWJZLASA-N 318.425 -0.017 30 20 DBED C=CCN[C@@H]1CN(C(=O)[C@@H](COC)OC)C[C@@H]1n1ccnn1 1130002651 LQZJUPVEHIKULU-FRRDWIJNSA-N 309.370 -0.533 30 20 DBED CC(C)(C(N)=O)C(=O)NCc1c[nH]nc1[C@H]1CCN(CC#N)C1 1130398700 CKKJWUFPMCHFIW-JTQLQIEISA-N 318.381 -0.150 30 20 DBED N#CCNC(=O)CNCCNC(=O)Cn1cnc2c1CCCC2 1131418144 SDJWIHFFKXPEFD-UHFFFAOYSA-N 318.381 -0.893 30 20 DBED C=C(C)CN1C[C@@H](NC(=O)CNS(=O)(=O)NC)CC[C@@H]1C 1132201102 WSVZIFAHHMKVFY-RYUDHWBXSA-N 318.443 -0.415 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)[C@H](C)Cc1cnc[nH]1 1135072282 SYBLAFBHYXJSQV-NEPJUHHUSA-N 307.398 -0.015 30 20 DBED C=CCNC(=O)CNCCNC(=O)C1(C(=O)N(C)C(C)C)CC1 1135988029 FJJOEUGFMRZVHD-UHFFFAOYSA-N 324.425 -0.359 30 20 DBED C#CCN1CCC(C(=O)N[C@H](C)C[C@@H](C)NCC(N)=O)CC1 1146585472 YFUGMYPRQLGUTH-CHWSQXEVSA-N 308.426 -0.310 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)c1[nH]cnc1C 1146815068 TWKWYGARIMOURR-MNOVXSKESA-N 305.382 -0.046 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)c1ocnc1C)C2 1147288660 PTLMCZSSUANCQB-UHFFFAOYSA-N 316.361 -0.120 30 20 DBED CC#CCN1CCCO[C@H](CNC(=O)Cn2cnnc2O)C1 1149565630 GDQYBKALJGBAFF-GFCCVEGCSA-N 307.354 -0.786 30 20 DBED C=CCN1CCCO[C@H](CNC(=O)CCNS(C)(=O)=O)C1 1149804106 JMJGUSINASSLQJ-GFCCVEGCSA-N 319.427 -0.681 30 20 DBED COCC#CCNCCNC(=O)[C@@H](C1CC1)N1CCOCC1 1151815186 QLCHFNFRIPPBJF-OAHLLOKOSA-N 309.410 -0.547 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)Cc1nnc(C)o1 1157493932 QYALWPAAQGSSNS-JTQLQIEISA-N 309.370 -0.293 30 20 DBED CC(C)N1CCC[C@@H]1C(=O)NCCCNCC(=O)NCC#N 1157886526 IMHWNOWHMBCCIP-CYBMUJFWSA-N 309.414 -0.405 30 20 DBED N#CCNC(=O)CNCCCNC(=O)c1c[nH]c2nccc-2c1 1160480941 XQIDDIJQMYUXRN-UHFFFAOYSA-N 314.349 -0.136 30 20 DBED C#CCN1CC=C(CCNC(=O)Cn2c(O)nnc2O)CC1 1161779816 VFPVPADEKOWSBE-UHFFFAOYSA-N 305.338 -0.539 30 20 DBED N#CCNC(=O)CNCCCNC(=O)c1nc[nH]c2nccc1-2 1161844515 YYPVFGJZZQWCGQ-UHFFFAOYSA-N 315.337 -0.741 30 20 DBED C#CCNC(=O)CNCCCC[C@H](C)NC(=O)[C@@H]1CCC(=O)N1 1176236289 AYGDTVWIOLVZQL-STQMWFEESA-N 322.409 -0.721 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)[C@@H]2CCCO2)[C@H]1C 1178494379 XXFYHBPNAQFKBP-RFGFWPKPSA-N 307.394 -0.118 30 20 DBED N#CCNC(=O)CN[C@@H]1CCN(C(=O)c2cnn(CCF)c2)C1 1183845500 NYVRFCWUDYEVQL-GFCCVEGCSA-N 322.344 -0.704 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 1185724300 XXEYDMYRLOAAJX-CQSZACIVSA-N 322.453 -0.096 30 20 DBED N#CCNC(=O)CN[C@@H]1CCN(C(=O)COC2CCOCC2)C1 1186011159 VHJJQMMXWKYWBT-GFCCVEGCSA-N 324.381 -0.988 30 20 DBED N#CCNC(=O)CN[C@@H]1CCN(C(=O)CCCn2cccn2)C1 1187939759 MMMTWBIVYVSPDX-CYBMUJFWSA-N 318.381 -0.506 30 20 DBED C#CCCN1C[C@@H]2CCN(C(=O)CNS(=O)(=O)CC)[C@@H]2C1 1188125062 KIPKZWWWOALPLE-QWHCGFSZSA-N 313.423 -0.518 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)c2scnc2C)C1 1191217759 QKZNRLJSYIPPFJ-VXGBXAGGSA-N 309.391 -0.124 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@H]1CCN(C(=O)c2csnn2)C1 1191587383 WGMKQCJPEIHCGD-MNOVXSKESA-N 321.406 -0.178 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C2=COCCC2)C1 1191652702 UDNMTIYMRQXPIQ-CHWSQXEVSA-N 309.366 -0.856 30 20 DBED COCC#CCN(C)[C@@H]1CCN(C(=O)[C@@]2(C)CCNC2=O)C1 1192326569 SCITVWOUMRINHX-CJNGLKHVSA-N 307.394 -0.305 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(Cc2ccn(C)c(=O)c2)C[C@H]1O 1192503390 CKBONHCSWXQPGF-HUUCEWRRSA-N 317.389 -0.150 30 20 DBED C#CCCN(C)[C@@H]1CCN(C(=O)[C@H]2CCN(C)S2(=O)=O)C1 1192794635 MTPBZDDCFZRQQK-CHWSQXEVSA-N 313.423 -0.424 30 20 DBED C#CCCN(C)[C@@H]1CCN(C(=O)[C@@H]2CCN(C)S2(=O)=O)C1 1192794636 MTPBZDDCFZRQQK-OLZOCXBDSA-N 313.423 -0.424 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2ncc(C)cn2)C[C@H]1O 1192885870 GJOPAOLKJNBISU-ZIAGYGMSSA-N 318.377 -0.514 30 20 DBED CCCn1nccc1C(=O)N[C@@H]1CN(CC#CCOC)C[C@H]1O 1193345230 OEPBXPUZRZQIPF-UKRRQHHQSA-N 320.393 -0.282 30 20 DBED CCCNC(=O)NC(=O)CN1CCCN(C(=O)[C@H](C)C#N)CC1 1195314581 NDVYCCQZGLBNOU-GFCCVEGCSA-N 323.397 -0.084 30 20 DBED Cc1ncn(C)c1C(=O)N1CCCN(CC(=O)NCC#N)CC1 1196215395 FXSGQHFYOPDMMC-UHFFFAOYSA-N 318.381 -0.484 30 20 DBED CC#CCNC[C@H]1CN(C(=O)C2CN(C(C)=O)C2)CCCO1 1200351289 IDSRIKAHFKCGCY-HNNXBMFYSA-N 307.394 -0.305 30 20 DBED C#CCNC[C@H]1CN(C(=O)c2cnn(C)c2OC)CCCO1 1201957567 CABSGONZLYUULR-LBPRGKRZSA-N 306.366 -0.117 30 20 DBED C=CCNC(=O)CN[C@H]1C[C@H](NC(=O)CNC(C)=O)C12CCC2 1202344114 YIOVPYKHUZYSRF-STQMWFEESA-N 322.409 -0.558 30 20 DBED C=CCOCCN[C@H]1C[C@H](NC(=O)CNC(N)=O)C12CCC2 1202431128 ZLSXSECQVJPHPR-RYUDHWBXSA-N 310.398 -0.126 30 20 DBED C=CCOCC(=O)N[C@H]1C[C@@H](NCC(=O)NCC#N)C12CCC2 1202635018 VYMJCGHHYLRABH-OLZOCXBDSA-N 320.393 -0.154 30 20 DBED C#CCCN[C@@H]1C[C@@H](NC(=O)c2nnc(O)nc2O)C12CCC2 1203131802 MUXDYVKPKWMHGZ-NXEZZACHSA-N 317.349 -0.063 30 20 DBED C#CCN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)CCS(=O)(=O)NC)C2 1204343178 DOEZCLNIKZSYFG-JHJVBQTASA-N 313.423 -0.472 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)Cn2cccn2)C1 1207296479 FFHMEYDIPXFHIH-ZDUSSCGKSA-N 305.382 -0.234 30 20 DBED COCC#CCN[C@@H]1CCCN(C(=O)CCc2cnn(C)n2)C1 1209659221 ABDOTXMUWZBXTJ-OAHLLOKOSA-N 319.409 -0.022 30 20 DBED C=CCn1cc(C(=O)N2CCC[C@@H](NC[C@H](O)COC)C2)nn1 1210009111 CUSQHYWHTJJIEC-OLZOCXBDSA-N 323.397 -0.334 30 20 DBED CCN1CCO[C@@H](C(=O)N[C@@H]2CN(CC#CCOC)C[C@H]2C)C1 1211184594 XBCVVJNQBXFATR-BZUAXINKSA-N 323.437 -0.207 30 20 DBED COC[C@H](O)CN1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@H](OC)C1 1212127220 HEXQUQWZGKMHAN-MRVWCRGKSA-N 322.365 -0.677 30 20 DBED C#CCCN[C@@H]1CN(C(=O)C2CC3(C2)NC(=O)NC3=O)C[C@H]1C 1215873355 QBBZENDJEUYJCL-QZCIIZHISA-N 318.377 -0.566 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CCCC(=O)NC 1217696193 LQMDBNCRGWBNQW-UONOGXRCSA-N 307.394 -0.162 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2ocnc2C)C[C@@H]1O 1219612082 YBYJATQVIVDBLN-OLZOCXBDSA-N 307.350 -0.316 30 20 DBED CCC(CC)[C@H](C)C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@@H]1O 1219915493 MNNWAIXJPHMZEK-YUTCNCBUSA-N 324.425 -0.140 30 20 DBED N#CCNC(=O)CN1CC[C@@H]2CN(C(=O)C3=COCCO3)[C@@H]2C1 1221240422 KXNANNRSDKTQJN-VXGBXAGGSA-N 320.349 -0.953 30 20 DBED C=CCNC(=O)[C@H](C)N1CCC(NC(=O)c2cnnn2C)CC1 1227131242 GTBQBCITYSYWTN-NSHDSACASA-N 320.397 -0.300 30 20 DBED C#CCO[C@H](C)C(=O)NC1CCN(CC(=O)N2CCC2)CC1 1227299638 WMCIXCVRAUNVOX-CYBMUJFWSA-N 307.394 -0.162 30 20 DBED C=C(C)COCCNC(=O)C(=O)N1CCN(CCOC)CC1 1261164003 DKZAGSQBUWTDDI-UHFFFAOYSA-N 313.398 -0.514 30 20 DBED C[C@@]1(C2CC2)NC(=O)N(CC(=O)NC2(C#N)CCOCC2)C1=O 1318519176 SKXZRKPCPDHJOC-AWEZNQCLSA-N 320.349 -0.104 30 20 DBED CC[C@H](CC#N)NC(=O)C(=O)Nc1ccn(CC(=O)N(C)C)n1 1320701475 HMEALGMRWNSRQR-SNVBAGLBSA-N 320.353 -0.282 30 20 DBED C#CCNC(=O)C1CCN(C(=O)C(=O)NCc2ccoc2)CC1 1321337715 ATPALATWAJLTGU-UHFFFAOYSA-N 317.345 -0.116 30 20 DBED Cc1cn2c(=O)c(C(=O)OCC(=O)NCC#N)cnc2s1 1323458430 VGCFOBUTIVDVMA-UHFFFAOYSA-N 306.303 -0.139 30 20 DBED CC#CCN(C)C(=O)C(=O)Nc1ncn(CC(=O)OCC)n1 1326679960 QVQLGAUBJNIMHQ-UHFFFAOYSA-N 307.310 -0.739 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCC(NC(=O)CCC)CC1 1326803736 JYBUQLOCZHDJMF-UHFFFAOYSA-N 323.393 -0.340 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2[C@H]3CC[C@H]2CNC3)nn1 1327659267 NMXNAAAGPHGOIN-RYUDHWBXSA-N 304.354 -0.957 30 20 DBED Cc1ccc(CCNC(=O)C(=O)N2CC[C@](O)(CC#N)C2)cn1 1328273787 VFSFBGISLXTYKM-MRXNPFEDSA-N 316.361 -0.074 30 20 DBED CS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NCC2(CC#N)CC2)C1 1330224256 NLFDRZMWFSZFHM-SNVBAGLBSA-N 313.379 -0.558 30 20 DBED C=CCC1(O)CCN(C(=O)C(=O)NCCn2cccn2)CC1 1332102965 DGVRYSPMCREJKJ-UHFFFAOYSA-N 306.366 -0.071 30 20 DBED C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C)CC1 1340239345 XSGPJXWNSBFXKJ-UHFFFAOYSA-N 302.382 -0.307 30 20 DBED N#C[C@@H](C(=O)/C=C\c1ccc[nH]1)C(=O)N1CCS(=O)(=O)CC1 1343471492 WNEVHGJBOUXKLC-MVZIDQBPSA-N 321.358 -0.006 30 20 DBED Cn1nc2c(c1NC(=O)Cn1cc(C#N)c(O)nc1=O)CCC2 1362161477 SGDAZUHMVRWBFR-UHFFFAOYSA-N 314.305 -0.319 30 20 DBED Cc1nc(C(=O)NC[C@@]2(O)CCS(=O)(=O)C2)ccc1C#N 1363241828 UJYPOHQZOGGSMD-ZDUSSCGKSA-N 309.347 -0.459 30 20 DBED C[C@H](OCC1CC1)C(=O)NCCn1cc(C#N)c(O)nc1=O 1363286841 KQNXFSMMZJDAEW-VIFPVBQESA-N 306.322 -0.248 30 20 DBED C[C@H]1COCCN(C(=O)CCn2cc(C#N)c(O)nc2=O)C1 1363571885 AROGYOXYALNFEJ-SNVBAGLBSA-N 306.322 -0.294 30 20 DBED N#CCC1(O)CN(C(=O)Nc2[nH]nnc2C(=O)N2CCCC2)C1 1364372046 MVYUBQIIMRMRAE-UHFFFAOYSA-N 319.325 -0.467 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CN(C)C(=O)Cc1ccc(F)cn1 1370998616 ILXPYBSSPMGOBS-GWCFXTLKSA-N 322.340 -0.142 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](NC(=O)C(C)(C)S(C)(=O)=O)C1 1386109969 ZYAGJFXOGGJQAG-ZJUUUORDSA-N 315.395 -0.314 30 20 DBED C[C@@H](CNC(=O)[C@@H](C)C#N)NC(=O)c1ccc2nnc(O)n2c1 1389424818 JATQIBLJUARRPZ-IUCAKERBSA-N 316.321 -0.171 30 20 DBED C[C@H](C#N)C(=O)N1CCCO[C@H](CNC(=O)Cn2cncn2)C1 1396288771 OWRNYMSCAMWAMI-VXGBXAGGSA-N 320.353 -0.829 30 20 DBED COCCn1ccc(C(=O)NC[C@H](C)NC(=O)[C@H](C)C#N)n1 1397516881 OSOIXBGNHKHFNN-MNOVXSKESA-N 307.354 -0.076 30 20 DBED C=C(Cl)CNC[C@H](C)CNC(=O)CN1CCOCC1=O 1401116257 ROKSFOHFFLWQRE-JTQLQIEISA-N 303.790 -0.060 30 20 DBED CO[C@@H](C)CC(=O)NC[C@H](O)CNC(=O)c1ccc(C#N)[nH]1 1410096334 QVLHKLQZOXZFJI-ONGXEEELSA-N 308.338 -0.482 30 20 DBED CNC(=O)NCC(=O)NCC[C@@H](C)NC(=O)c1ccc(C#N)[nH]1 1415395770 UZKVYGXDVPVZHJ-SECBINFHSA-N 320.353 -0.560 30 20 DBED CCN(CCNC(=O)c1ccc(C(N)=O)nc1)C(=O)[C@H](C)C#N 1415689892 PYWYEQKKOSBQGK-SNVBAGLBSA-N 317.349 -0.082 30 20 DBED COCc1nn(C)cc1C(=O)NC[C@@H](C)NC(=O)[C@H](C)C#N 1416853637 MPQCFQDBCAKNSS-NXEZZACHSA-N 307.354 -0.039 30 20 DBED CCN1CCO[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@H](C)C#N)C2)C1 1430148142 BGNRXHPRSADZOQ-FDYHWXHSSA-N 308.382 -0.370 30 20 DBED C[C@H](C#N)C(=O)NC1CC(N(C)C(=O)CCn2ccnn2)C1 1445017105 KDZCULINNCCUTP-VOMCLLRMSA-N 304.354 -0.067 30 20 DBED C=C(Cl)CNC1(CNC(=O)CNC(=O)CNC(C)=O)CC1 1499266890 QENABBHGLKGRRE-UHFFFAOYSA-N 316.789 -0.770 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H](C)CNC(=O)c1cc(C(N)=O)c[nH]1 1509040724 VZRZIXOOAOEPCP-DTWKUNHWSA-N 305.338 -0.150 30 20 DBED CCCS(=O)(=O)CC(=O)NCC[C@@H](C)NC(=O)[C@H](C)C#N 1527568450 IULJWMBNWWKXOF-GHMZBOCLSA-N 317.411 -0.018 30 20 DBED N#Cc1ccc(NCC(=O)N[C@H](Cc2cnc[nH]2)C(=O)O)nc1 1571120552 VQTJPBQXTOXYCI-LLVKDONJSA-N 314.305 -0.100 30 20 DBED C[C@](C#N)(CC(=O)O)C(=O)N1C[C@H]2CS(=O)(=O)C[C@H]2C1 1573359580 DOPJVIKMUBIVFB-VDDIYKPWSA-N 300.336 -0.506 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H](C)CN=c1cc[nH]c(-c2nn[nH]n2)n1 1573558827 PYBPPNYZQMAROG-DTWKUNHWSA-N 315.341 -0.503 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[nH]n3)nn2)C1 1573586272 NCYKUIFGIKKWQK-HLTSFMKQSA-N 313.325 -0.125 30 20 DBED CO[C@@H](CNc1cnc(-c2nn[nH]n2)c(C#N)n1)[C@H]1CCOC1 1579595099 WNSAZWNFYGDLEU-WPRPVWTQSA-N 316.325 -0.008 30 20 DBED Cn1nc2c(c1S(=O)(=O)N1CCNC[C@H]1C#N)CCCC2 1579998747 VDYUDMNCVFKXGF-SNVBAGLBSA-N 309.395 -0.215 30 20 DBED N#C[C@H]1CCCN(C(=O)NCCn2cnc(-c3nn[nH]n3)n2)C1 1581856833 GMVDJYVHCAEVRH-SECBINFHSA-N 316.329 -0.597 30 20 DBED C#C[C@@H](NS(=O)(=O)c1cc(C(=O)O)[nH]n1)C1CCOCC1 1588377206 JUJRHMMJCKETNG-SECBINFHSA-N 313.335 -0.185 30 20 DBED Cn1cnnc1COCC(=O)N1CCC(C#N)(C(=O)O)CC1 1600996216 RTHUUUTYIGTMFP-UHFFFAOYSA-N 307.310 -0.451 30 20 DBED C#CC1(F)CN(C(=O)CNc2ccc(-c3nn[nH]n3)cn2)C1 1602691233 VCNJOJJPHKULDC-UHFFFAOYSA-N 301.285 -0.143 30 20 DBED C=CC[C@@H](C(=O)OC)N1CCN([C@]2(C(=O)O)CCOC2)CC1 1602836380 OZVWBAUHYDCPLU-SWLSCSKDSA-N 312.366 -0.035 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1602982608 ZPDDQYAPDYXAHD-ZETCQYMHSA-N 314.309 -0.705 30 20 DBED CC(=O)N[C@@H](C(=O)NS(=O)(=O)CC1(C#N)CC1)C(C)C 1646034010 BDFORKWESWJHIS-SNVBAGLBSA-N 301.368 -0.103 30 20 DBED N#CCC1(O)CN(C(=O)[C@@H]2CNC(=O)C[C@@H]2C(F)(F)F)C1 1649949822 LXNRMSFWGXHKFG-SFYZADRCSA-N 305.256 -0.212 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H](C)CCNC(=O)c1nccnc1N 1713405290 PBNMSSBJWHQZMO-QWRGUYRKSA-N 320.397 -0.153 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@H]1CCCN(Cc2nnnn2C)C1 1732091471 BGGYNIFSWQPELK-SMDDNHRTSA-N 308.386 -0.382 30 20 DBED C#CCNC(=O)CN(CC)CCCNC(=O)[C@@H]1CCC(=O)N1C 1752205418 XUALVTAGKGOUDQ-ZDUSSCGKSA-N 322.409 -0.815 30 20 DBED CC#CCN1CCN(CCCNC(=O)C(C)(C)C(N)=O)CC1 1752344517 SHXIFYKWJXXYMV-UHFFFAOYSA-N 308.426 -0.355 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)CCNC(=O)[C@@H]1CCO[C@H]1C1CC1 1753058223 WKCVLRPCJMUTDE-YUELXQCFSA-N 321.421 -0.013 30 20 DBED CO[C@@H](C(=O)NC[C@H]1CCN(CC(=O)NCC#N)C1)C(C)C 1753132709 CGWWMBVWPAFCGH-TZMCWYRMSA-N 310.398 -0.265 30 20 DBED CCCN(CC#CCOC)CCNC(=O)C(=O)NCC(F)F 1753145547 MCTAIGKAAHVTEZ-UHFFFAOYSA-N 319.352 -0.154 30 20 DBED CN(CC(=O)NCC#N)C[C@H]1CCN(C(=O)C[C@H]2CCCO2)C1 1753356445 MLTYUFJGACXRJE-ZIAGYGMSSA-N 322.409 -0.024 30 20 DBED N#CCNC(=O)CN1CC(CNC(=O)COCC2CCCC2)C1 1753403866 LRWKOVJQZGKUMJ-UHFFFAOYSA-N 322.409 -0.119 30 20 DBED C=CCOCC(=O)N(CC)[C@H]1CCN(Cc2nc(=O)n(C)[nH]2)C1 1753453259 NYHDLXFHWRRTJH-LBPRGKRZSA-N 323.397 -0.266 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(Cc2nnn(C)n2)CCO1 1753649994 KTPXULGBLHNGJN-GFCCVEGCSA-N 306.370 -0.669 30 20 DBED C#CCNC(=O)CN(C)CCN(C)C(=O)Cc1c(C)n[nH]c1C 1753868768 UYPPOVAVGVMUHW-UHFFFAOYSA-N 319.409 -0.291 30 20 DBED CCN1CCCC[C@H]1C(=O)NC[C@@H]1CCN1CC(=O)NCC#N 1754504049 CHHIJVFFMCLFNU-KBPBESRZSA-N 321.425 -0.309 30 20 DBED Cc1nc2ccnn2cc1C(=O)NC[C@]1(O)CCN(CC#N)C1 1754761376 XKCOEHIOBHJAJK-OAHLLOKOSA-N 314.349 -0.272 30 20 DBED COCC#CCN[C@H](C)[C@H]1CCN(C(=O)C(=O)NCC2CC2)C1 1754802799 GZUUUHOHIVCQRM-HIFRSBDPSA-N 321.421 -0.011 30 20 DBED CC#CCN[C@H](C)[C@@H]1CCN(C(=O)CN2CCC(=O)NC2=O)C1 1754803398 BIBIYGUHDCCUFL-CHWSQXEVSA-N 320.393 -0.222 30 20 DBED CC#CCN1CCC[C@](CO)(NC(=O)c2cc(C(N)=O)c[nH]2)C1 1754859244 SGGAWJRPNKUPLE-INIZCTEOSA-N 318.377 -0.306 30 20 DBED C=CCOCCN1CCOC[C@H]1CNC(=O)[C@H]1COCCO1 1754964048 TXKQSRIDXCXDLT-ZIAGYGMSSA-N 314.382 -0.579 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(NCC(=O)NCC#N)CCC1 1754980107 PVVQAOINSSVLDL-AWEZNQCLSA-N 308.382 -0.418 30 20 DBED N#CCNC(=O)CN1CCC[C@@H](NC(=O)c2ccncn2)CC1 1755031111 NAVBBDAJKKIQQM-GFCCVEGCSA-N 316.365 -0.299 30 20 DBED C#CCNC(=O)CN1CC2(C1)CN(C(=O)[C@H](C)OCC)CCO2 1755048689 FQCKRKZLJYILFA-ZDUSSCGKSA-N 323.393 -0.926 30 20 DBED C[C@@H](C(N)=O)N1CC2(CC[C@@H](CNC(=O)C#CC3CC3)O2)C1 1755054507 PAVMPIGIBKLUJN-AAEUAGOBSA-N 305.378 -0.377 30 20 DBED C#CCCN[C@@]1(CO)CCCN(C(=O)[C@@H](CC)NC(C)=O)C1 1755089628 TUDQYAQSJHEHIL-ZBFHGGJFSA-N 309.410 -0.133 30 20 DBED C=C(C)CNCC1(O)CCN(C(=O)C2CC(=O)NC(=O)C2)CC1 1755153762 PRFHJENAADJQNH-UHFFFAOYSA-N 323.393 -0.442 30 20 DBED Cn1nc2c(c1C(=O)N1CCC(O)(CNCC#N)CC1)CCC2 1755155167 TWMIRIUZNOCDLK-UHFFFAOYSA-N 317.393 -0.011 30 20 DBED CCN(CC#N)CC1CCN(C(=O)Cn2c(O)nnc2O)CC1 1755184803 IBWCYURHORECAY-UHFFFAOYSA-N 322.369 -0.227 30 20 DBED C[C@H](CNC(=O)CC[C@H]1CCCN1C)N(C)CC(=O)NCC#N 1755304486 ZVYJQRURJWDYEC-ZIAGYGMSSA-N 323.441 -0.063 30 20 DBED C#CCO[C@H](C)C(=O)N(C)[C@@H](CNCc1nc(O)n[nH]1)C1CC1 1755571577 OJQVFLIFDQGGKL-PWSUYJOCSA-N 321.381 -0.125 30 20 DBED C#CCCNC[C@@H](O)CN(C)C(=O)[C@@H]1CCN(C(=O)CC)C1 1755791496 LXLXRIWTTLJXDX-ZIAGYGMSSA-N 309.410 -0.323 30 20 DBED COCC#CCN(CCNC(=O)c1nnn(C)c1C)CCOC 1755838047 HNHOYXVWWWPXGO-UHFFFAOYSA-N 323.397 -0.548 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)CC(N)=O)C1 1756264826 WEIHVDZCZKENLY-KKOKHZNYSA-N 309.366 -0.536 30 20 DBED C[C@H](CN(C)C(=O)CSCC#N)NC(=O)[C@H]1CCC(=O)N1 1756432712 SNAHQSITBTYHEG-NXEZZACHSA-N 312.395 -0.515 30 20 DBED CC(C)C#CC(=O)N(C)C[C@H](O)CN(C)C(=O)[C@H]1CCOC1 1756684030 RAYWGSMXIUMPNP-KBPBESRZSA-N 310.394 -0.040 30 20 DBED CN(C(=O)C#CC1CC1)C1CC(NC(=O)CN2CCOCC2)C1 1756740193 WOJQGLBICWXHDM-UHFFFAOYSA-N 319.405 -0.162 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@@H]2CN(C(=O)c3cnon3)[C@@H]2C1 1757242083 RUYHIHHKHIPTPF-DMDPSCGWSA-N 318.333 -0.219 30 20 DBED C=CC[C@H](C)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](N)CN)CCO2 1783112532 RCONFRRSNKIVNP-HEHGZKQESA-N 324.425 -0.686 30 20 DBED C=CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(N)=O)C[C@@H]21 1791279605 QCMBNCOXAQCEFU-SRVKXCTJSA-N 324.381 -0.790 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(O)cn1)C2 1800451151 OUUFUTZPCKROBK-QHBPRCKVSA-N 315.329 -0.376 30 20 DBED C=CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)C(O)O)CC2 1826047606 JHSNFPHSRPIMKW-SSDOTTSWSA-N 311.363 -0.058 30 20 DBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)COC)CCO2 1831633260 FFAJUMCNMZCRFU-CJNGLKHVSA-N 324.377 -0.642 30 20 DBED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C3CC3)C2)C1 1834767968 UPNKCPXFWKBYNE-HNNXBMFYSA-N 307.350 -0.234 30 20 DBED N#Cc1cccc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C(O)O)c1 1847447222 NCHVYFMKLVTABG-STQMWFEESA-N 315.329 -0.316 30 20 DBED CCN(CCO)CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 29841429 FOWGAEVUABXRAQ-UHFFFAOYSA-N 321.381 -0.183 30 20 DBED C#CCN1CCN(C(=O)CNS(=O)(=O)CCCC)CC1 90011720 BNQQFJWXECQQKG-UHFFFAOYSA-N 301.412 -0.517 30 20 DBED Cn1c(N)c(C(=O)CN(CCC#N)CC2CC2)c(=O)n(C)c1=O 174697850 HXNTUYXHDYIWAT-UHFFFAOYSA-N 319.365 -0.525 30 20 DBED COCCNC(=O)CNC(=O)COc1ccc(C#N)cc1OC 274028283 VPSQTUFBRCLYTN-UHFFFAOYSA-N 321.333 -0.176 30 20 DBED CS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)o2)CC1 286688625 QMMQTDGFDQIGOB-UHFFFAOYSA-N 319.364 -0.583 30 20 DBED N#Cc1ccc(CS(=O)(=O)NC[C@H]2CC(C(N)=O)=NO2)cc1 289251235 UKCOSSJJDTZRAI-LLVKDONJSA-N 322.346 -0.392 30 20 DBED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCn2cnnc2C1 292353325 QFIOOEPBKUWUBZ-DGCLKSJQSA-N 319.365 -0.282 30 20 DBED Cc1noc(C(C)(C)N/C(O)=N/CC(=O)N2CCOCC2)n1 329392255 UABOVHOCGDIPSZ-UHFFFAOYSA-N 311.342 -0.024 30 20 DBED C=CCN(CCS(=O)(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 330365770 RSXSZTGJIQJYKL-LLVKDONJSA-N 310.441 -0.447 30 20 DBED COCCN1CN(/C(O)=N/[C@H](C)CS(C)(=O)=O)CC1=O 330400850 SUWUMZQHEQKIMZ-SECBINFHSA-N 307.372 -0.918 30 20 DBED O=C(CN1CCN(C(=O)CO)CC1)NC(O)=Nc1ccccc1 330491216 NNWVJQFODUPCED-UHFFFAOYSA-N 320.349 -0.515 30 20 DBED Cc1ncc(CNS(=O)(=O)N2CCO[C@@H](C#N)C2)c(O)n1 336906005 TYJQDVYDSRHBEM-JTQLQIEISA-N 313.339 -0.951 30 20 DBED C=CCN1CC[C@@H](N(C)CC(=O)N2CCC[C@@H](C(N)=O)C2)C1=O 337231095 UBNXBFHWOBYESY-CHWSQXEVSA-N 322.409 -0.571 30 20 DBED C=CCN(C(=O)[C@@H]1CCCC(=O)N1)[C@H]1CCS(=O)(=O)C1 340096043 XCPJEAVDSPDIOM-QWRGUYRKSA-N 300.380 -0.143 30 20 DBED C[C@H](CNC(=O)C(=O)N1CCC(C#N)CC1)N1CCOCC1 340203716 PBKPPNPQAPKASA-GFCCVEGCSA-N 308.382 -0.415 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N[C@@H](C)CO[C@H]1CCOC1 341505901 SPGPMUGFLJHHQG-STQMWFEESA-N 314.382 -0.042 30 20 DBED COC(=O)Cn1ccc(N[C@@H](C)C(=O)NC2(C#N)CCC2)n1 345113060 ODIWHXLTTPCICA-JTQLQIEISA-N 305.338 0.419 30 20 DBED C#CCCN1CCN(C(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)CC1 370078487 UAQMCYHOYPTRAX-ZDUSSCGKSA-N 315.377 -0.070 30 20 DBED C#CCN1CCN(C(=O)CNC2(CO)CCSCC2)CC1 491507077 SYVQQIXTTOCTOB-UHFFFAOYSA-N 311.451 -0.389 30 20 DBED COc1cc(C#N)ccc1NC(=O)C(=O)N(C)[C@@H]1CCNC1=O 525907301 XLMOKZWNUOVHQM-LLVKDONJSA-N 316.317 -0.148 30 20 DBED CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H]1CC[C@H](C#N)C1 591796678 SQGAPLINPYPEPT-XQQFMLRXSA-N 306.366 -0.078 30 20 DBED CO[C@H](CS(=O)(=O)NCCn1cnc(C#N)n1)C(C)C 592053066 YKBQMSTUPGEUKH-SNVBAGLBSA-N 301.372 -0.260 30 20 DBED CN(C)CCN(CC(=O)N(C)C)S(=O)(=O)CCCCC#N 594844270 UMMGYFNPYWICDW-UHFFFAOYSA-N 318.443 -0.038 30 20 DBED N#Cc1ccc(N2CCC[C@H]2C(=O)NC[C@H](O)C(N)=O)cc1 597585254 IJXQVRUBBZVJEX-STQMWFEESA-N 302.334 -0.511 30 20 DBED CN1C(=O)C(=O)N(CC(=O)N2CCc3cc(C#N)ccc32)C1=O 597774792 DRHGCYAPJKGEFS-UHFFFAOYSA-N 312.285 -0.132 30 20 DBED COC(=O)CNC(=O)CCN1CCN([C@@H](C#N)C(C)C)CC1 609538831 YJKHNGYCACIGAD-ZDUSSCGKSA-N 310.398 -0.169 30 20 DBED COCCN(CCOC)S(=O)(=O)N1CC[C@](F)(C#N)C1 615544946 IZZABJADMGPWMC-NSHDSACASA-N 309.363 -0.236 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(S(=O)(=O)N(C)C)CC1 618189121 WYJJJTWVMODIRK-NEPJUHHUSA-N 317.411 -0.472 30 20 DBED CS(=O)(=O)NCCNC(=O)Cc1ccc(OCC#N)cc1 732056048 JKVCSGONPMMVAN-UHFFFAOYSA-N 311.363 -0.203 30 20 DBED CC(C)[C@](C)(C#N)NC(=O)COC(=O)[C@H](C)NS(C)(=O)=O 758477474 PGEOBQMIJLTSMV-CABZTGNLSA-N 319.383 -0.478 30 20 DBED C=CCNC(=O)COC(=O)c1ccc(S(N)(=O)=O)cc1F 769857210 DXPAXJMHAHWKQZ-UHFFFAOYSA-N 316.310 -0.068 30 20 DBED C#C[C@H](NS(=O)(=O)CCNS(=O)(=O)CC)[C@H]1CCCO1 773051742 DZJNXLKFKVSQKY-WDEREUQCSA-N 324.424 -0.974 30 20 DBED C#C[C@H](NCCNS(=O)(=O)c1cnn(C)c1)[C@H]1CCCO1 775800483 SGPGVCZSLGHHAC-QWHCGFSZSA-N 312.395 -0.531 30 20 DBED C#CCCCNC(=O)C(=O)N1CCN(CC(C)(C)O)[C@H](C)C1 806916956 XLSGXOGJZWAYJO-CYBMUJFWSA-N 309.410 -0.180 30 20 DBED C#CCC[C@@H](O)CNC(=O)c1nc(S(C)(=O)=O)ncc1C 847160229 LHAPBKDPFLNVOG-SNVBAGLBSA-N 311.363 -0.307 30 20 DBED C#CCN(CC(=O)O)S(=O)(=O)N(CCC#N)CCOC 849219033 MCXCAXPMXZNVSP-UHFFFAOYSA-N 303.340 -0.887 30 20 DBED C#CCN1CCC[C@@H](NC(=O)NCc2nnnn2C2CC2)C1 884179961 HLKLFNIKBFPNLI-LLVKDONJSA-N 303.370 -0.095 30 20 DBED C#CC[C@@H](CO)NC(=O)NCC1(OCCOC)CCOCC1 922664145 LICKXPXYHMTSSI-ZDUSSCGKSA-N 314.382 -0.118 30 20 DBED C#CCN1CCC[C@H](NC(=O)c2cnn(C[C@H](O)CO)c2)C1 923557333 LXEYDNXOUSHNGI-KBPBESRZSA-N 306.366 -0.936 30 20 DBED O=C(NCC#CCO)N[C@H]1CCCN(CC(F)(F)F)C1=O 923777077 WWPTYLNAWBFKEG-VIFPVBQESA-N 307.272 -0.165 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)C(C)(C)N2CCOCC2)C1 938281048 QUUIKOQNQQFSJZ-STQMWFEESA-N 322.409 -0.026 30 20 DBED O=C1N[C@H](C(=O)NC[C@H]2CCCN2C(=O)C#CC2CC2)CO1 944007255 BDRDGCNLXCDEPV-NEPJUHHUSA-N 305.334 -0.385 30 20 DBED CN1CCO[C@@H](C(=O)NC[C@H]2CCCN2C(=O)C#CC2CC2)C1 944008096 VVYMBFAVFIRIOC-HUUCEWRRSA-N 319.405 -0.162 30 20 DBED Cc1nn[nH]c1C(=O)NC[C@H]1CN(C(=O)[C@H](C)C#N)CCO1 944700222 VXCXLNWEFDNEHC-SCZZXKLOSA-N 306.326 -0.770 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CCN(C(=O)CC(N)=O)CC1 945675355 BDCCVQAFWLEXKS-ZDUSSCGKSA-N 320.393 -0.933 30 20 DBED CN(C(=O)c1nnc(O)nc1O)[C@@H]1CCCN(CC#N)CC1 948590223 KPLBMQMNKFKKMF-SECBINFHSA-N 306.326 -0.267 30 20 DBED C#CCN1CCOC2(CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)C1 949515464 SYQJGFJFFFEUEE-ZDUSSCGKSA-N 305.378 -0.408 30 20 DBED CN1CC[C@@H](C(=O)N[C@H]2CCCN(C(=O)C#CC3CC3)C2)C1=O 950761251 HIDLYHHNFCNJMY-KBPBESRZSA-N 317.389 -0.015 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@H]2COC(=O)N2)C1 954193433 LFHGFKICOZZEAF-UTUOFQBUSA-N 323.349 -0.645 30 20 DBED C#Cc1ccc(C(=O)N2CC(N(C)C(=O)c3nc[nH]n3)C2)cn1 955018068 GDUYKPPGOVCDJC-UHFFFAOYSA-N 310.317 -0.222 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](CNC(=O)c2cnn(C)c2N)C1 957995995 QHLBEAYKEMGDEL-YPMHNXCESA-N 307.398 -0.009 30 20 DBED CC#CCN1C[C@@H](O)[C@H](CNC(=O)c2cnc3cccnn23)C1 958453981 RTSFLQQXSHHYTG-TZMCWYRMSA-N 313.361 -0.225 30 20 DBED CCc1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)n[nH]1 961643879 ZWMQMFAEGSHAJQ-AXTRIDKLSA-N 305.338 -0.567 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CN(C(=O)c3cnc(O)n3C)C[C@H]2C1 962052635 UDWVJNSZFCMSOL-MXWKQRLJSA-N 317.349 -0.184 30 20 DBED CC#CCN1C[C@@H]2C(NC(=O)c3ccc(=O)n(CC)n3)[C@H]2C1 962070217 ZZPPEBHWDIKTBP-RYUDHWBXSA-N 300.362 -0.054 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCOC2(CN(C(C)=O)C2)C1 965413954 WYTRDPOWRQEZGQ-AWEZNQCLSA-N 305.378 -0.456 30 20 DBED C=CCCN1CC[C@H](C)[C@H](NC(=O)CN2CCNC(=O)C2)C1 967721938 MMLZSICRNGRQJF-UONOGXRCSA-N 308.426 -0.179 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)c2ccc(O)nc2)C1 970530529 GJTWDHDWDZCMDB-GDPRMGEGSA-N 304.306 -0.752 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)[C@H]3COCCN3CC)C2)C1 972440423 FRTHHNQTHWQZIV-WBVHZDCISA-N 321.421 -0.356 30 20 DBED CC#CCN1CCO[C@@]2(CCN(C(=O)[C@H]3CCC(=O)N3C)C2)C1 972520090 OUHINUCUAMYXIR-PBHICJAKSA-N 319.405 -0.066 30 20 DBED Cn1nncc1C(=O)N[C@H]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 973190755 NXBJBJZSKGHWFE-MGCOHNPYSA-N 313.321 -0.294 30 20 DBED NC(=O)C(=O)N1CC[C@H]2[C@@H](CCCN2C(=O)C#CC2CC2)C1 973740339 RRSYJKUXHFBSRJ-STQMWFEESA-N 303.362 -0.275 30 20 DBED CC(=O)N1CC(C(=O)N[C@H]2[C@@H]3CN(C(=O)[C@H](C)C#N)C[C@@H]32)C1 976411781 PRSGVBBVPLLVSA-KMLBCRHOSA-N 304.350 -0.803 30 20 DBED N#Cc1c[nH]c(C(=O)NC2CN(C(=O)[C@H]3CCNC(=O)C3)C2)c1 990696361 RXKDKQDGYFQFSK-JTQLQIEISA-N 315.333 -0.647 30 20 DBED C=CCNC1CCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)CC1 997061254 USURGNNXHLDRPO-UHFFFAOYSA-N 308.338 -0.826 30 20 DBED C#CCCN1CC=C(CNC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 1001216204 KLNIVHGARFPVHC-LBPRGKRZSA-N 304.350 -0.644 30 20 DBED N#Cc1c[nH]c(C(=O)NCC2CN(C(=O)c3cnon3)C2)c1 1001343075 SGUMXMDLUFETSM-UHFFFAOYSA-N 300.278 -0.229 30 20 DBED CCN1C[C@H](C(=O)NCC2CN(C(=O)C#CC3CC3)C2)CC1=O 1002445681 ABYPPYCCJHXPGF-CQSZACIVSA-N 317.389 -0.157 30 20 DBED CCn1nc(C)c(C(=O)NCC2CN(C(=O)[C@@H](C)C#N)C2)n1 1002956274 PHHPZFGPNSSAIN-VIFPVBQESA-N 304.354 -0.046 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@H]1CN2C(=O)C(N)=O 1007493488 RLEKJQMTTXLZJY-QCNOEVLYSA-N 307.350 -0.735 30 20 DBED C=CCCn1cc(C(=O)N[C@H]2CCCN([C@@H](C)C(N)=O)C2)nn1 1008812621 AKIVCAUKQPNNRD-RYUDHWBXSA-N 320.397 -0.078 30 20 DBED C#Cc1ccc(C(=O)NCC2[C@H]3CN(C(=O)C(N)=O)C[C@H]23)cc1 1009325045 RPACMRVRKAGLGX-ZIAGYGMSSA-N 311.341 -0.413 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2C(NC(=O)Cc3cncn3C)[C@H]2C1 1013443722 CUFXBQTVXHPMCP-USWWRNFRSA-N 301.350 -0.305 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCN(CC(=O)NC2CC2)C1 1014774486 FVVAMFIFGGOJTG-CABCVRRESA-N 318.421 -0.447 30 20 DBED C=C(C)CN1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CC(=O)NC1=O 1018068941 NERRQAHBJDZKMI-TXEJJXNPSA-N 306.366 -0.211 30 20 DBED C=C(Cl)CN[C@H]1CCN(C(=O)CN2CC(=O)N(C)C2=O)C1 1019645133 DMLVVFVJNCOICR-JTQLQIEISA-N 314.773 -0.177 30 20 DBED C#CCN1[C@H]2CC[C@H]1CC(NC(=O)C1CC(=O)NC(=O)C1)C2 1021410292 DTNQHGNEHJEIPM-STQMWFEESA-N 303.362 -0.216 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@@H](N[C@H]2CCCNC2=O)C1 1022220805 QKKCIBRHSYLWRI-XGUBFFRZSA-N 318.421 -0.401 30 20 DBED C#CCN1CCC[C@@H](CNC(=O)[C@H]2CCN(C)S2(=O)=O)C1 1023645174 ZLJQSLQGLSIPSH-QWHCGFSZSA-N 313.423 -0.518 30 20 DBED Cc1nn(C)c(F)c1C(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1O 1025073004 VQDOUWUFLVQPDF-FXBDTBDDSA-N 323.328 -0.671 30 20 DBED N#CCN[C@@H]1CC[C@H]2CN(C(=O)c3nccnc3C(N)=O)C[C@@H]21 1026416633 XORBEWGIHULLGY-GARJFASQSA-N 314.349 -0.461 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2CCN([C@@H](C)C(N)=O)C2)cn1 1028938474 QARBVZAWEVLWBB-NWDGAFQWSA-N 300.362 -0.012 30 20 DBED C#CCCN1[C@H]2CC[C@H]1CN(C(=O)Cn1ccc(O)nc1=O)C2 1029382645 RCLGHYURVIETJD-STQMWFEESA-N 316.361 -0.353 30 20 DBED C#CCN1[C@H]2CC[C@H]1CN(C(=O)[C@@H]1Cc3cncn3C(=O)N1)C2 1029403554 LWRYOFJYNLBOHQ-OBJOEFQTSA-N 313.361 -0.326 30 20 DBED N#CCN1CCO[C@@H](CNC(=O)[C@H]2CCn3ccnc3C2)C1 1035418411 HIVZMGAQNMJXFB-STQMWFEESA-N 303.366 -0.214 30 20 DBED CC(C)C#CC(=O)NC[C@@]1(O)CCN(C(=O)c2cc[nH]n2)C1 1039664558 SKVFNZIJZWLIFP-HNNXBMFYSA-N 304.350 -0.238 30 20 DBED CC(C)N(C)CC(=O)N1CC[C@@](O)(CNC(=O)C#CC2CC2)C1 1039688221 CBHHMVBYIMRVPM-QGZVFWFLSA-N 321.421 -0.180 30 20 DBED C#CCCCC(=O)N1CC[C@@](O)(CNC(=O)Cn2nccn2)C1 1039824954 FQCRSBIXWYZKFX-OAHLLOKOSA-N 319.365 -0.839 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@](O)(CNC(=O)c2cc[nH]c2)C1 1040090852 UDZKYSFZULSETA-WBMJQRKESA-N 319.361 -0.254 30 20 DBED N#Cc1nccnc1N1C[C@@H](O)[C@H](NC(=O)c2cnccn2)C1 1040919301 XPBKFOSXZHZXNL-VXGBXAGGSA-N 311.305 -0.882 30 20 DBED COC1CC(C(=O)N[C@@H]2CN(c3ccnc(C#N)n3)C[C@H]2O)C1 1041212895 YNMCHCNLDDSSCO-KIDURHIOSA-N 317.349 -0.561 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)[C@@H](CC)OC)C1 1041904811 LMOODLCDCBLRHT-LLVKDONJSA-N 300.355 -0.697 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)c2cncc(C)c2)C1 1042039545 BLGNKTFIWUMIBH-UHFFFAOYSA-N 319.361 -0.104 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)[C@H]2CC2(F)F)C1 1042039809 ILZMRCRQKFBOSU-SECBINFHSA-N 304.293 -0.466 30 20 DBED C=CCCOCC(=O)NCC1(O)CN(C(=O)COC(C)C)C1 1043563999 FVGMRKRJBADHOV-UHFFFAOYSA-N 314.382 -0.306 30 20 DBED C=CCn1cc(C(=O)N(C)C2CN([C@H](C)C(=O)N(C)C)C2)nn1 1044022320 KXCSISBMHHEOML-LLVKDONJSA-N 320.397 -0.303 30 20 DBED C=C[C@@H](CC)CC(=O)NCC1(O)CN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 1045069373 UDMFRCYKGHLVKS-TUAOUCFPSA-N 323.393 -0.600 30 20 DBED C=C1CC(C)(C(=O)NCC2(O)CN(C(=O)Cc3nc[nH]n3)C2)C1 1046311395 APWRZSCZQPUUQP-UHFFFAOYSA-N 319.365 -0.607 30 20 DBED C=C(C)CN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCN(C)C(=O)C2)C1 1047434023 TZRWZYDRCCDFGC-IHRRRGAJSA-N 309.410 -0.066 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cnccn2)C1 1048090760 MWLGGZXIJLZNHC-STQMWFEESA-N 320.349 -0.677 30 20 DBED C[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1CNCc1nc(=O)n(C)[nH]1 1048252875 KQYIYYWJOPTITD-WCQYABFASA-N 317.393 -0.294 30 20 DBED COc1cc(OC)nc(C(=O)NC[C@H]2COCCN2CC#N)n1 1050980190 NBWCJJWTXIXPFO-JTQLQIEISA-N 321.337 -0.552 30 20 DBED C=CCCn1cc(C(=O)NC[C@@H]2COCCN2C[C@H](C)O)nn1 1051156798 YNEHWLOSBDKZJU-QWHCGFSZSA-N 323.397 -0.334 30 20 DBED C#CCOCCC(=O)N[C@H](C)[C@H]1CCN(C(=O)c2nc[nH]n2)C1 1051337296 ISJKDKLABYPIRJ-NEPJUHHUSA-N 319.365 -0.189 30 20 DBED C=CCCN1CCN([C@@H]2CCN(C(=O)[C@H]3CCNC3=O)C2)CC1 1052059986 VPMJMYWQGJERFA-CABCVRRESA-N 320.437 -0.083 30 20 DBED N#CCN1CCN([C@@H]2CCN(C(=O)c3n[nH]cc3F)C2)CC1 1052079850 PBWPVOGBQWOEHZ-LLVKDONJSA-N 306.345 -0.096 30 20 DBED C#CCN1CCN([C@@H]2CCN(C(=O)c3ccn(C)n3)C2)CC1 1052118737 WDBJCBVSSUVTQW-CQSZACIVSA-N 301.394 -0.115 30 20 DBED N#CCN1CCC[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)CC1 1052946416 SFDWEJJMXBLFOI-WDEREUQCSA-N 300.384 -0.828 30 20 DBED C#CCN1CC2(C1)CN(C(=O)[C@H]1CCNC(=O)CC1)CCO2 1053358247 KNAFEOSMYWDDAJ-CYBMUJFWSA-N 305.378 -0.551 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)c1cc(C(N)=O)c[nH]1)CCO2 1053486304 VMEMPKOXWOKZEC-UHFFFAOYSA-N 316.361 -0.336 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)C[C@H]3CC(=O)NC3=O)CO2)C1 1054025864 KNINRSILXDZXQT-NWDGAFQWSA-N 319.361 -0.978 30 20 DBED C[C@@H](C#N)C(=O)N[C@]1(CO)CCCN(C(=O)c2cnon2)C1 1056097989 YBBMDBSFVVATMA-TVQRCGJNSA-N 307.310 -0.687 30 20 DBED C=CCCC(=O)N1CCC[C@](CO)(NC(=O)Cn2cncn2)C1 1056135969 JZPCVGOVCQSFDS-HNNXBMFYSA-N 321.381 -0.286 30 20 DBED N#Cc1ccc(N[C@@H]2CCN(C(=O)Cn3cnnc3O)C2)nc1 1056610402 YMEVXVAPFDWODH-LLVKDONJSA-N 313.321 -0.037 30 20 DBED CO[C@H](C(=O)N(CCO)CCNC(=O)C#CC1CC1)C1CC1 1057465351 GGKGGNDOJNGRPF-HNNXBMFYSA-N 308.378 -0.238 30 20 DBED C#CCO[C@H](C)C(=O)N(CCO)CCNC(=O)/C=C\C1CC1 1057583705 XYMVUBUMOACNCJ-FMFIFOJESA-N 308.378 -0.072 30 20 DBED C#CCC1(C(=O)N(CCO)CCNC(=O)CC(=O)NC)CCC1 1057821823 UPRXCRMNSUIALQ-UHFFFAOYSA-N 323.393 -0.747 30 20 DBED Cn1ncc(C(=O)N[C@H]2CCN(c3ccc(C#N)nn3)C2)c1N 1058343653 FBOXGKKWSDAXQL-JTQLQIEISA-N 312.337 -0.327 30 20 DBED C=CCCCC(=O)N(CCO)CCNC(=O)CCn1cncn1 1058621775 QKPRBQYJXFJDJI-UHFFFAOYSA-N 323.397 -0.038 30 20 DBED N#CCSCC(=O)NCCN(CCO)C(=O)[C@@H]1CC12CC2 1058939964 WUXFCHZFMCQZEJ-NSHDSACASA-N 311.407 -0.020 30 20 DBED N#Cc1ccc(N[C@H]2C[C@H](NC(=O)[C@H]3CCC(=O)N3)C2)nn1 1059170938 ZISVYDPWFUPVJL-GMTAPVOTSA-N 300.322 -0.314 30 20 DBED C=CCOCC(=O)NCC[C@H]1CCN(C(=O)c2cn(C)nn2)C1 1059585487 DQVRGYOMIGWBFX-LBPRGKRZSA-N 321.381 -0.014 30 20 DBED N#Cc1ccc(NC[C@H]2CCN(C(=O)[C@H]3CCNC3=O)C2)nn1 1060952822 JNFKNFDCLWFDNZ-PWSUYJOCSA-N 314.349 -0.255 30 20 DBED N#Cc1cnc(N2CC[C@@H](CNC(=O)[C@H]3COC(=O)N3)C2)cn1 1061593620 ZIOSKUBNKHHKOR-GXSJLCMTSA-N 316.321 -0.601 30 20 DBED C=C(C)CCC(=O)N1CCOC[C@@H]1CNC(=O)[C@H]1C[C@H]1C(N)=O 1061906338 UZKTVPRYCIYOBV-XQQFMLRXSA-N 323.393 -0.192 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CCCCN1C(=O)[C@H]1CCC(=O)N1 1062066887 BTZYJSHXTPKSHB-IJLUTSLNSA-N 306.366 -0.078 30 20 DBED Cc1cc(N2C[C@@H]3C[C@H]2CN3C(=O)c2nnn(C)n2)c(C#N)cn1 1062560431 APYNAFOTGLDZLT-RYUDHWBXSA-N 324.348 -0.112 30 20 DBED N#Cc1cncc(N2CCO[C@H](CNC(=O)c3cnco3)C2)n1 1063648093 VZZFXTLGKRIOFG-LLVKDONJSA-N 314.305 -0.029 30 20 DBED Cc1cc(C#N)nc(N2CC[C@H]3CN(C(=O)C(N)=O)CC[C@H]32)n1 1064032670 DBOPCJYBWABFRI-CMPLNLGQSA-N 314.349 -0.431 30 20 DBED N#Cc1cnc(N2CC[C@@]3(CCN(C(=O)CC(N)=O)C3)C2)cn1 1064608995 FEYJGPMVTRLUKT-OAHLLOKOSA-N 314.349 -0.348 30 20 DBED N#Cc1cnc(N2CC[C@@H]3[C@@H]2CCCN3C(=O)CC(N)=O)cn1 1066126293 DVTMDHWIOKWCSO-NWDGAFQWSA-N 314.349 -0.207 30 20 DBED N#Cc1nc(=NC[C@H]2CC[C@H](NC(=O)C(N)=O)CC2)cc[nH]1 1066444124 RDEOIEHEXAKEKB-MGCOHNPYSA-N 302.338 -0.658 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC2(C[C@@H](NC(=O)COCC)CO2)C1 1068676327 UFMTZFSBTFGROD-QWHCGFSZSA-N 324.377 -0.453 30 20 DBED C[C@H]1[C@H](N=c2cc[nH]c(C#N)n2)CCN1C(=O)Cc1nc[nH]n1 1068896286 ZBPRSTJOERQFMJ-VHSXEESVSA-N 312.337 -0.468 30 20 DBED CC(=O)N[C@@H](C)C(=O)NC1(CNC(=O)[C@@H](C)C#N)CCOCC1 1069969966 OPWCVWUHLXTUCE-QWRGUYRKSA-N 324.381 -0.548 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@@H]2COCCO2)C[C@H]1c1cn(C)cn1 1070472634 QNIRRUQWWJHOTE-CFVMTHIKSA-N 318.377 -0.647 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)Cc4ccn(C)n4)C[C@@]3(C1)O2 1070799545 DDPTZPIGOMFMDM-YSVLISHTSA-N 314.389 -0.103 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)[C@@]45COC[C@@H]4C5)C[C@@]3(C1)O2 1070803648 STCSFJBOHWHQEC-GFISCPRKSA-N 302.374 -0.042 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)Cc2cccnc2)CC1 1070955365 TUPLPGZJDRQBTP-UHFFFAOYSA-N 314.389 -0.092 30 20 DBED C[C@@H](C(=O)N1CCC(=O)NCCN(CC#N)CC1)n1cncn1 1070957667 PKWZHLGEFQMSNT-LBPRGKRZSA-N 319.369 -0.987 30 20 DBED CC(=O)N(Cc1cn(C)c(=O)n(C)c1=O)[C@H]1CCN(CC#N)C1 1072134634 VSTSQYLRPQCMCE-ZDUSSCGKSA-N 319.365 -0.970 30 20 DBED C#CCCN1CCCO[C@@H](CNC(=O)c2cc(=O)n(C)o2)C1 1073585442 IVFSVKMZRCAYNK-LBPRGKRZSA-N 307.350 -0.178 30 20 DBED CC#CCN1CCO[C@@H]2CCN(C(=O)CN3CCOCC3)C[C@@H]21 1074215374 HEKIWTWBVFXLAZ-JKSUJKDBSA-N 321.421 -0.356 30 20 DBED N#CCN1CCO[C@H]2CCN(C(=O)Cc3cncnc3)C[C@H]21 1074226228 MFNQQMSFZAOKAV-KGLIPLIRSA-N 301.350 -0.156 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)c3cc(C(N)=O)c[nH]3)C[C@H]21 1074368333 FDYFYOVCYCISQF-ZIAGYGMSSA-N 316.361 -0.338 30 20 DBED C=CCN1CCO[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)C[C@H]21 1074400000 NAHBFRFWSDAFNF-VXGBXAGGSA-N 322.365 -0.974 30 20 DBED O=C(C#CC1CC1)NCC1(O)CCN(C(=O)[C@@H]2CCOC2)CC1 1074506449 MOCQEGDDKXZOFF-CQSZACIVSA-N 320.389 -0.094 30 20 DBED C#CCNC(=O)CC(=O)N1CCC(O)(CNC(=O)CCC)CC1 1074555806 JIUPDELQDWYATP-UHFFFAOYSA-N 323.393 -0.604 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)c1cnns1 1075757502 DACIODBOSMATLA-VIFPVBQESA-N 323.378 -0.698 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)c1cncs1 1075783506 ZTFAOBBDFLLXJP-JTQLQIEISA-N 322.390 -0.093 30 20 DBED C#CCO[C@H](C)C(=O)NCC[C@H](C)NC(=O)[C@H]1CCC(=O)N1 1076510720 SOMHQZZDNYZRRH-QJPTWQEYSA-N 309.366 -0.686 30 20 DBED CC(C)c1nnnn1CC(=O)NCC[C@H](C)NC(=O)[C@@H](C)C#N 1076699469 LLJZVIMDXQXITD-QWRGUYRKSA-N 321.385 -0.033 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCn3cc(C)nc3C2)C1 1077229144 OOMBQFLHOCLRAQ-RRFJBIMHSA-N 316.405 -0.061 30 20 DBED C=CCn1cc(C(=O)N2CC(N(CC)C(=O)COC)C2)nn1 1079213923 PJBAMJQWOAMRFG-UHFFFAOYSA-N 307.354 -0.217 30 20 DBED C=CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)c2nnn(C)n2)C1 1079983336 WIXSGQHZUPPCDT-SNVBAGLBSA-N 322.369 -0.526 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CO)(NC(=O)c2cocn2)CC1 1080775175 WGXNFCJDODOPKF-JTQLQIEISA-N 306.322 -0.082 30 20 DBED C=CCC(C)(C)C(=O)N1C[C@H](CNC(=O)CC(N)=O)[C@@H](O)C1 1081372015 VYRQTGPSMMPWQV-QWRGUYRKSA-N 311.382 -0.600 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2cn(C)cn2)C1 1081408906 TVCRLENTXYIIRO-DGCLKSJQSA-N 322.365 -0.828 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H]1CN(C(=O)C(C)(C)C)C[C@H]1O 1081424312 CXDHZLNKFXSRAJ-NWDGAFQWSA-N 323.393 -0.893 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1O 1081463362 MCSACYLIILFZKX-VXGBXAGGSA-N 319.365 -0.976 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1O 1081464328 YDMJJTDSXYXPNG-WCQYABFASA-N 319.365 -0.976 30 20 DBED CNC(=O)[C@@H](C)N1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@H](OC)C1 1081507430 VQFIJFDHXMEZTH-OASPWFOLSA-N 319.365 -0.550 30 20 DBED C#CCCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2cnon2)C1 1081685527 TYYFUAKLSLWRBD-ZYHUDNBSSA-N 306.322 -0.578 30 20 DBED C#CCCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2cccnn2)C1 1081686844 BDSOBCFZMSYRKV-TZMCWYRMSA-N 316.361 -0.171 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1nccnc1N 1083028340 JVWGSYOJZNHZCE-NWDGAFQWSA-N 301.350 -0.393 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CN1C(=O)CCC1=O 1083269644 NSDVBXVNOXSICX-QWHCGFSZSA-N 319.361 -0.930 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1 1083569708 IXZLYCPHALQXNP-YTWAJWBKSA-N 322.283 -0.873 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)Cc2cccc(NC(C)=O)c2)C1 1083975970 CDJJUZPSZOEPNH-CVEARBPZSA-N 315.373 -0.018 30 20 DBED CN(C[C@H]1CCN1CC#N)C(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 1085593287 GIGRCPRAWHXSNK-NWDGAFQWSA-N 316.365 -0.181 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)Cn1nccn1)N=c1cc[nH]c(C#N)n1 1089393037 GOONABUQERCLIW-WDEREUQCSA-N 314.353 -0.243 30 20 DBED Cn1nnc2cc(C(=O)N[C@@H]3CCN(CC#N)C[C@H]3O)ccc21 1090358362 ADZXJNYMBTUKIC-BXUZGUMPSA-N 314.349 -0.343 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2cc3n(n2)CCCO3)[C@H](O)C1 1090419922 DFQWZIYSAVJXOZ-GXTWGEPZSA-N 318.377 -0.146 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2ccnc3c2ncn3C)[C@@H](O)C1 1090565756 GQRGHSPVZLMAIW-OLZOCXBDSA-N 313.361 -0.234 30 20 DBED N#CCN1CC[C@H](NC(=O)c2ccc3nncn3c2)[C@@H](O)C1 1090640434 IICVDRLVTCNYRR-RYUDHWBXSA-N 300.322 -0.582 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CN(c2ncnc3c2CCC3)C[C@@H]1O 1091082507 GSHHJVFLIPRZOE-WQAKAFBOSA-N 301.350 -0.209 30 20 DBED CC(=O)NCC(=O)NC[C@H]1C[C@@H](Nc2ccc(C#N)nn2)C1 1091304459 BIAVUTHQASCGOO-KLPPZKSPSA-N 302.338 -0.209 30 20 DBED CC(C)OCC(=O)N[C@H]1CCN(c2nccnc2C#N)C[C@@H]1O 1092144126 WNNMCRQXNAMNMO-AAEUAGOBSA-N 319.365 -0.171 30 20 DBED CC(=O)N1CCO[C@H](C(=O)N2C[C@H]3CN(CC#N)C[C@@]3(C)C2)C1 1092242613 SRSYLHHBLLOMPP-YCPHGPKFSA-N 320.393 -0.462 30 20 DBED C#CCN1C[C@@H]2CN(C(=O)CC[C@@H]3NC(=O)NC3=O)C[C@]2(C)C1 1092259926 XLSIXFMKUGNRGY-WQGACYEGSA-N 318.377 -0.612 30 20 DBED N#Cc1ccc(N2C[C@H]3C(NC(=O)CNC(N)=O)[C@@H]3C2)nc1 1093209928 JBWFLFOZZHUVFR-NXEZZACHSA-N 300.322 -0.828 30 20 DBED Cc1cc(=NCCNC(=O)C[C@H](C)NC(N)=O)c(C#N)c[nH]1 1093885191 WDWGBZJWQUASKC-JTQLQIEISA-N 304.354 -0.341 30 20 DBED N#Cc1nc(=NCCNC(=O)[C@@H]2CCCCC(=O)N2)cc[nH]1 1094112578 CLEKGSGIAFNOTC-JTQLQIEISA-N 302.338 -0.643 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)c3cn(C)cn3)CC2=O)C1 1094721787 KSNPRUTYXXUJMB-NSHDSACASA-N 301.350 -0.932 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)c3ncccc3O)CC2=O)C1 1094731216 LWLFYJTYJUTDHJ-LLVKDONJSA-N 314.345 -0.565 30 20 DBED N#CCN1CC(N2C[C@@H](NC(=O)Cc3cncs3)CC2=O)C1 1094747346 PVYJPNJCKZUBDE-JTQLQIEISA-N 319.390 -0.390 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)c3ccncn3)CC2=O)C1 1094798039 SMAIFCQXPXPUHD-NSHDSACASA-N 301.350 -0.323 30 20 DBED N#Cc1nccnc1N1CCN(CCNC(=O)C2CC2)CC1 1096261098 ZMRMWPYWKMDGNN-UHFFFAOYSA-N 300.366 -0.004 30 20 DBED COCC(=O)NCCN1CCN(c2cnc(C#N)cn2)CC1 1096266592 QUJOZAGNQXQEIF-UHFFFAOYSA-N 304.354 -0.767 30 20 DBED N#Cc1ccc(N[C@H]2C[C@H](NC(=O)CCn3cnnn3)C2)nn1 1097055924 VQIANCSYZOPGTN-XYPYZODXSA-N 313.325 -0.516 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H]1C[C@H](OC)CN1C(C)=O 1097586238 ILWHBKQYCWNNQV-DGADGQDISA-N 319.405 -0.023 30 20 DBED C[C@H](CNC(=O)c1ccc(C(N)=O)[nH]1)N=c1cc[nH]c(C#N)n1 1098262417 GAKTUKMQHGEYOI-MRVPVSSYSA-N 313.321 -0.572 30 20 DBED C=CCCNCc1cn([C@H]2CCN(C(=O)CNC(C)=O)C2)nn1 1098601054 KYOQFRDMCHTQEW-AWEZNQCLSA-N 320.397 -0.147 30 20 DBED C=CCNCc1cn([C@@H]2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)nn1 1098728988 XWZVDWQHZGCFQL-UPJWGTAASA-N 318.381 -0.552 30 20 DBED N#CCNC(=O)CN1CC[C@H](NC(=O)c2ccoc2)[C@@H](O)C1 1099661271 XEPWLVXWDSKHGF-RYUDHWBXSA-N 306.322 -0.916 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(Cc2cnnn2C)C[C@@H]1O 1099740369 BYQLFTZVQPKFHD-STQMWFEESA-N 309.370 -0.931 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCN(CCC2CC2)C[C@H]1O 1099788521 FYLKHJJKFMYRSO-ZIAGYGMSSA-N 307.394 -0.523 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CNC(=O)N2CCCC2)[C@H](O)C1 1099833527 XHJBYQSFIMVUHG-ZIAGYGMSSA-N 322.409 -0.634 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)c2ccns2)[C@@H](O)C1 1099852840 FWXRBTCHHWHLKH-QWRGUYRKSA-N 322.390 -0.943 30 20 DBED C=C(C)CCC(=O)N[C@@H]1CCN(Cc2nc(O)n[nH]2)C[C@H]1O 1099857930 FIRRNLAFSKENFQ-GHMZBOCLSA-N 309.370 -0.082 30 20 DBED CN(CCNC(=O)C(=O)NCC(F)F)c1cnc(C#N)cn1 1100223896 SQUPRWKIDORFAG-UHFFFAOYSA-N 312.280 -0.718 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)[C@@H](C)CC(N)=O)c3nccn32)C1 1101635405 IMISLEMFXPLQQO-RYUDHWBXSA-N 315.377 -0.400 30 20 DBED C[C@@H](CC(N)=O)C(=O)N(C)[C@@H]1CCN(c2nccnc2C#N)C1 1102751973 BPWOIFIQIBAXAN-WDEREUQCSA-N 316.365 -0.103 30 20 DBED C[C@H](CNC(=O)[C@H]1COC(=O)N1)CNc1nccnc1C#N 1103944888 FZHCFXRMKJEOTM-WCBMZHEXSA-N 304.310 -0.379 30 20 DBED COC(=O)NCC(=O)N(C)[C@@H](C)CN=c1cc[nH]c(C#N)n1 1104475924 XNKKRQCGMGRFGE-VIFPVBQESA-N 306.326 -0.615 30 20 DBED N#Cc1nccnc1NC[C@H](O)CNC(=O)c1ccc(O)nc1 1105848740 UJRKQIYYBRVVFL-JTQLQIEISA-N 314.305 -0.348 30 20 DBED C[C@@]1(C(=O)NC[C@@H](O)CN=c2cc[nH]c(C#N)n2)CCCOC1 1105955506 PREQAZVLFSDYSL-XHDPSFHLSA-N 319.365 -0.524 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@H](O)CNc1ncccn1 1105966961 SFMFRNWFVATHKP-QWHCGFSZSA-N 321.381 -0.164 30 20 DBED Cn1cncc1C(=O)NC[C@@H](O)CNc1nccnc1C#N 1106011374 OAKNEWVTUHULJI-VIFPVBQESA-N 301.310 -0.715 30 20 DBED CN(C)CCC(=O)NC[C@H](O)CNc1ncc(C#N)cc1F 1106085137 OPWZHCFZPQYDER-NSHDSACASA-N 309.345 -0.067 30 20 DBED Cc1nnccc1C(=O)NC[C@H](O)CNc1nccnc1C#N 1106173340 ODDOBCPSIKGBAN-SNVBAGLBSA-N 313.321 -0.351 30 20 DBED CCN(CCNc1ccc(C#N)cn1)C(=O)Cn1ncnn1 1106851986 QWPBSFCNDACLAB-UHFFFAOYSA-N 300.326 -0.100 30 20 DBED C[C@H](CNc1ccc(C#N)nn1)NC(=O)[C@@H]1CN(C)CCO1 1107667350 UAPNRJRKZKLGKH-PWSUYJOCSA-N 304.354 -0.405 30 20 DBED C[C@H](C(=O)NC[C@]1(C)CN(CC#N)CCO1)S(C)(=O)=O 1108028355 DSQMBWOSPIDRTA-ZYHUDNBSSA-N 303.384 -0.850 30 20 DBED C[C@H](CNc1cncc(C#N)n1)NC(=O)[C@@H]1CC(=O)N(C)C1 1108178429 UYWQUYUPILNFKR-NXEZZACHSA-N 302.338 -0.257 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CNc1nc[nH]c2ncnc1-2 1108321055 KFWSWQGTUKNIIY-VIFPVBQESA-N 315.337 -0.639 30 20 DBED C#CCN1CCC(C(=O)NC[C@@]2(C)CN(CCO)CCO2)CC1 1108419793 RAFJPLMRWMDNIJ-KRWDZBQOSA-N 323.437 -0.469 30 20 DBED C=CCNC(=O)CN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CNC(C)=O)C2 1108603837 PXVALVKFTFHWHI-MJBXVCDLSA-N 322.409 -0.606 30 20 DBED Cc1cc(=NC[C@H](C)NC(=O)[C@H]2C[C@H]2C(N)=O)c(C#N)c[nH]1 1108694966 AYQFDBOLLYBHGV-WCQGTBRESA-N 301.350 -0.278 30 20 DBED COCC(=O)N(C)CC(=O)N[C@@H](C)CNc1ccc(C#N)nn1 1108745753 NZLNPKFYAKBZGW-JTQLQIEISA-N 320.353 -0.630 30 20 DBED C#CCNC(=O)CC(=O)NCC1(Nc2ncc(F)cn2)CC1 1110105959 YMTHFFAOLUEEHV-UHFFFAOYSA-N 305.313 -0.184 30 20 DBED CC(=O)N[C@@H](C)C(=O)N[C@@]1(C)CCN(c2ccnc(C#N)n2)C1 1110717473 XFCFMBYQASLUPO-BONVTDFDSA-N 316.365 -0.042 30 20 DBED C[C@H](CC(N)=O)C(=O)N[C@@]1(C)CCN(c2nccnc2C#N)C1 1110802383 MZNFCYHOXMDYJJ-BMIGLBTASA-N 316.365 -0.055 30 20 DBED COC[C@@H](C)C(=O)N(CCO)CCNc1cnc(C#N)cn1 1111437946 CNNXIWOREMCEID-LLVKDONJSA-N 307.354 -0.136 30 20 DBED CNC(=O)CC(=O)N1CC[C@H](CCN=c2cc[nH]c(C#N)n2)C1 1111607389 QWSJTFYSUSAHTK-NSHDSACASA-N 316.365 -0.443 30 20 DBED C#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)NC(=O)COC)C1 1111758865 OUYANDHZIWKXIC-XEZPLFJOSA-N 307.394 -0.259 30 20 DBED Cn1ncnc1COCC(=O)N[C@]12CCC[C@H]1CN(CC#N)C2 1111922872 IFSXASGNFRADHK-WFASDCNBSA-N 318.381 -0.174 30 20 DBED C[C@H]1CN(C(=O)CNC(N)=O)C[C@H]1Nc1ccc(C#N)nn1 1112306495 HIEJQGPVOIOTRY-WCBMZHEXSA-N 303.326 -0.725 30 20 DBED COc1ccc(C(=O)N2CCN(CC(=O)NCC#N)CC2)o1 1113451148 BFWCMGUWICQUOA-UHFFFAOYSA-N 306.322 -0.314 30 20 DBED CC(=O)N[C@H](C)C(=O)NC[C@H](C)N(C)c1ccc(C#N)nn1 1113508870 MYUPQABPFRVXCF-VHSXEESVSA-N 304.354 -0.186 30 20 DBED C[C@H](CNC(=O)c1cn(C)nn1)N(C)c1ccnc(C#N)n1 1113580823 BOXSXPFSVQEJAJ-SECBINFHSA-N 300.326 -0.269 30 20 DBED C#CCCCC(=O)NC1[C@@H]2CN(C[C@H](O)COCCOC)C[C@@H]12 1114198615 FQWLEZVUHXNJSB-RRFJBIMHSA-N 324.421 -0.140 30 20 DBED Cc1cc(C#N)nc(N2C[C@H]3[C@H](CNC(=O)CC(N)=O)[C@H]3C2)n1 1114546471 CXYBEMQGTATUBZ-CNDDSTCGSA-N 314.349 -0.670 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)c3nc(C)c[nH]3)[C@@H]2C1 1114946808 BEJNPBQDWHGVSS-GHMZBOCLSA-N 301.350 -0.872 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3cn(CC)cn3)[C@H]2C1 1115129029 XOWPQVBRCKFMEV-RYUDHWBXSA-N 315.377 -0.688 30 20 DBED CNC(=O)NCCC(=O)N(C)C[C@H](C)Nc1cncc(C#N)n1 1115704088 DDMDUCCVDKXIHT-JTQLQIEISA-N 319.369 -0.074 30 20 DBED C=CCOCCNC(=O)C(=O)N1CCSC[C@H]1CCO 1118442983 JLMSVNHAVPPLMZ-LLVKDONJSA-N 302.396 -0.368 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N1[C@H]2CC[C@H]1CC(=O)NC2 1119198809 IZCQSZWFXPIEQK-AVGNSLFASA-N 321.377 -0.590 30 20 DBED CO[C@@H](CC(C)C)C(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1 1122487706 MLZNMQDFHYDQBD-NEPJUHHUSA-N 321.381 -0.280 30 20 DBED C[C@H]1CCCN1CC(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1 1122528902 WVGOKCOLSAVTQA-RYUDHWBXSA-N 318.381 -0.857 30 20 DBED CN(C[C@@H](O)CNc1nccnc1C#N)C(=O)c1cnco1 1124620835 BCGWHXBKRDFNNR-VIFPVBQESA-N 302.294 -0.119 30 20 DBED C=CCOCC(=O)NCCNC[C@H]1CCN(S(C)(=O)=O)C1 1124768358 YKLLOKBYLIVAJB-GFCCVEGCSA-N 319.427 -0.824 30 20 DBED C=CCOCC(=O)NCCN[C@H](C)C(=O)NC(=O)NCC 1124787560 DOUNJIJLXNVPAH-SNVBAGLBSA-N 300.359 -0.871 30 20 DBED C#CCO[C@H](C)C(=O)NCCNCC(=O)N1CCC(C)CC1 1127039351 HHFGEZBQERYHES-CQSZACIVSA-N 309.410 -0.011 30 20 DBED C#CCNCc1nnc2n1CC[C@@H](NC(=O)[C@@H]1CCOC1)CC2 1127958853 MBXHIPMTHNRBSW-OLZOCXBDSA-N 317.393 -0.142 30 20 DBED C#CCN1CCn2ncc(CNC(=O)Cc3ccn(C)n3)c2C1 1128351393 YTAUSNYGZPYDLH-UHFFFAOYSA-N 312.377 -0.076 30 20 DBED C=C(C)CN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H](C)NC(C)=O)C1 1128653380 YUCAJDUOKDAPFH-BNOWGMLFSA-N 320.397 -0.280 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cc(C2CC2)n(CC)n1 1129104009 RNASHJIPBVKDBU-UHFFFAOYSA-N 317.393 -0.151 30 20 DBED C#CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H](COC)OC)C1 1129243089 HXHWAWLNLWWGON-RDBSUJKOSA-N 321.381 -0.696 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1cn(C)c(C)cc1=O 1129987604 CMEPJJOQPAKXBB-GFCCVEGCSA-N 318.377 -0.849 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1ccnn1CCOC 1130066421 YJDUCRWIABBFGQ-UHFFFAOYSA-N 309.370 -0.849 30 20 DBED C=CCOCCNCCNC(=O)CS(=O)(=O)CC(C)C 1130337087 GHBVQLTTWVAFND-UHFFFAOYSA-N 306.428 -0.034 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCC(=O)NCCN(CC#N)CC1 1131357120 IIDLGWJPEGAAAC-OAHLLOKOSA-N 308.382 -0.512 30 20 DBED C#CCN1CC[C@@]2(C1)CN(C(=O)CNC(=O)NC)C[C@@H](C)O2 1131665852 JUPQPRRSEPZAFV-IUODEOHRSA-N 308.382 -0.760 30 20 DBED COCC#CCN1C[C@H](NC(=O)CN2CCOCC2)CC[C@@H]1C 1131968780 RSBQDFLJGBZGRL-JKSUJKDBSA-N 323.437 -0.063 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CCCc2nc[nH]c21 1133667518 HAEOWQPAMYPEPY-NWDGAFQWSA-N 317.393 -0.327 30 20 DBED CC#CCN[C@@H](C)C[C@H](C)NC(=O)CNC(=O)CNC(C)=O 1134769903 KWKKLTHYTUCNMX-RYUDHWBXSA-N 310.398 -0.865 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1cc(CC)nn1C 1135684563 MWCOUMQBZXNVPR-NSHDSACASA-N 305.382 -0.560 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H](C)N(CC)CC#CCOC 1152855020 SVLIFLISHILAIG-CQSZACIVSA-N 307.394 -0.398 30 20 DBED CCN(CC#CCOC)[C@H](C)CNC(=O)c1cn(C)c(=O)cn1 1154391803 JXCBFFATXHBQCL-CYBMUJFWSA-N 320.393 -0.130 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)c1cc2n(n1)CCO2 1160024187 FKLIECQNTACWEP-LLVKDONJSA-N 319.365 -0.877 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)C[C@H]1CCC(=O)N1C 1163800590 DWALQZCTNXWICB-QWHCGFSZSA-N 322.409 -0.769 30 20 DBED C=CCN(CC=C)C(=O)CNCCCNC(=O)[C@H](C)CC(N)=O 1163905598 RHNYGKYLZKUNRK-CYBMUJFWSA-N 324.425 -0.206 30 20 DBED C#CCCNCC1(CCNC(=O)CCn2ncn(C)c2=O)CC1 1166366096 YRRWOMXDHQRTAB-UHFFFAOYSA-N 319.409 -0.129 30 20 DBED C[C@H](CCCCNCC(=O)NCC#N)NC(=O)c1cnn(C)c1 1169076588 QURSUTKDSPBAQZ-GFCCVEGCSA-N 320.397 -0.062 30 20 DBED C[C@H](CCCCNCCNS(C)(=O)=O)NC(=O)[C@H](C)C#N 1169831470 ILMILOGKHMRSRN-VXGBXAGGSA-N 318.443 -0.040 30 20 DBED CC[C@@H]1C[C@H](C(=O)NCCCNCC(=O)NCC#N)CCO1 1170421408 OYNIEWYXGPZEQH-CHWSQXEVSA-N 310.398 -0.073 30 20 DBED COCC#CCNCCCC[C@H](C)NC(=O)Cn1ncnn1 1170804755 HLKUCJLVIPFSMI-ZDUSSCGKSA-N 308.386 -0.413 30 20 DBED C=CCCCN1CCO[C@H]2CCN(C(=O)CNC(N)=O)C[C@H]21 1176907948 TZTMJSHXRVQKED-OLZOCXBDSA-N 310.398 -0.077 30 20 DBED CNC(=O)CCCCC(=O)NCCCNCC(=O)NCC#N 1177241285 SXOHFKRSMWHIIT-UHFFFAOYSA-N 311.386 -0.972 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H](NC[C@@H](O)COC)[C@@H]2C)nn1 1179674763 ZHKVKGVNKFFIOX-XQQFMLRXSA-N 323.397 -0.336 30 20 DBED N#CCSCC(=O)N1CC[C@@H](NC[C@H](O)Cn2cccn2)C1 1181124215 OCAZNVHACLLEJJ-OLZOCXBDSA-N 323.422 -0.309 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)CCc2ccon2)C1 1184247599 ATVPTSSFAGILHH-TZMCWYRMSA-N 318.377 -0.064 30 20 DBED CCc1n[nH]cc1C(=O)N1CC[C@H](N(C)CC(=O)NCC#N)C1 1191100143 LJBPUCBFRYUXST-NSHDSACASA-N 318.381 -0.242 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@@H]1CCN(C(=O)Cc2cnoc2)C1 1191929752 ARCITTXAQCLIMI-GXTWGEPZSA-N 318.377 -0.112 30 20 DBED N#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC23CC3)C1 1194064235 WVKWTCJEKLYOFK-YNEHKIRRSA-N 320.393 -0.632 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)c2csnn2)CC1 1196674456 WSZAJMAIBRQNTG-UHFFFAOYSA-N 309.395 -0.012 30 20 DBED COCC#CCN1CCCN(C(=O)c2cc(C(N)=O)c[nH]2)CC1 1197559571 BUYHRXHNNFFXRG-UHFFFAOYSA-N 318.377 -0.089 30 20 DBED N#CCNC(=O)CNC[C@@H]1CN(C(=O)C2=CCCC2)CCCO1 1200270258 WMJNDPQRGHFAAA-CQSZACIVSA-N 320.393 -0.056 30 20 DBED CNC(=O)CC(=O)N[C@@H]1C[C@H](NCC#CCOC)C12CCC2 1202805362 LGUHYWYLNAOIPT-QWHCGFSZSA-N 307.394 -0.211 30 20 DBED C#CCCN[C@H]1C[C@@H](NC(=O)c2nnc(O)nc2O)C12CCC2 1203131808 MUXDYVKPKWMHGZ-VHSXEESVSA-N 317.349 -0.063 30 20 DBED COCC#CCNC1CCN(C(=O)c2c[nH]c(C(N)=O)c2)CC1 1203726080 TWJLBFNWJRGHHF-UHFFFAOYSA-N 318.377 -0.042 30 20 DBED CCn1ccnc1C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1206907889 TZBFDGYOKSVVPF-VXGBXAGGSA-N 318.381 -0.407 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)c2cnc(C)cn2)C1 1207134453 AXWXLMCEXDDARH-CYBMUJFWSA-N 315.377 -0.271 30 20 DBED C#CCOCCC(=O)N1CCC[C@@H](NCc2nnn(C)n2)C1 1208032452 RKSRZEIFFJZDPB-GFCCVEGCSA-N 306.370 -0.669 30 20 DBED COCC#CCN[C@H]1CCCN(C(=O)C[C@H](C)NC(N)=O)C1 1208042500 SVPZTKOWHIUBOJ-STQMWFEESA-N 310.398 -0.336 30 20 DBED C=CCOCCN[C@@H]1CCCN(C(=O)[C@H]2CN(C)C(=O)N2)C1 1208961151 IGPUTUFAYRFBIZ-CHWSQXEVSA-N 310.398 -0.207 30 20 DBED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)c1cccnc1 1211768497 GTZPYDLFBUOIMA-CHWSQXEVSA-N 317.349 -0.850 30 20 DBED CNC(=O)CCCC(=O)N1C[C@@H](NCC#CCOC)[C@H](C)C1 1214485974 JKHCYEUHDMURBV-ZIAGYGMSSA-N 309.410 -0.011 30 20 DBED C=C(C)CCN[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)C[C@H]1C 1216708488 FVTISWJWZMXGRA-VXGBXAGGSA-N 308.382 -0.059 30 20 DBED CC(C)CNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H](C)C#N 1217533602 YAXUEGOIUPLLDC-HZSPNIEDSA-N 322.409 -0.170 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2cc(CC)[nH]n2)C1 1219224796 KPAREXQGWVLGRQ-OLZOCXBDSA-N 321.381 -0.951 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CN(Cc2nnc(C3CC3)o2)C[C@@H]1O 1219379430 SXFRRZMMBPBUSW-IEBDPFPHSA-N 305.338 -0.232 30 20 DBED CC(C)NC(=O)NCCN1C[C@H](O)[C@H](NC(=O)[C@@H](C)C#N)C1 1219381387 QZSOBRZQNFXEDW-TUAOUCFPSA-N 311.386 -0.985 30 20 DBED CCCN(C)CCC(=O)N[C@@H]1CN(CC#CCOC)C[C@@H]1O 1220826206 SAIJDLVIZVIBCW-CABCVRRESA-N 311.426 -0.471 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)c2ccnc(C)n2)C1 1220987146 IIWONSNICJGFML-KGLIPLIRSA-N 306.366 -0.237 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)[C@@]34COC[C@@H]3C4)[C@@H]2C1 1221562014 GWQXIDFCSYADPU-OEUWWYETSA-N 317.389 -0.695 30 20 DBED C=CCNC(=O)[C@H](C)N1CCC(CNC(=O)CNC(C)=O)CC1 1222257896 DLYGXLRUPYJFER-LBPRGKRZSA-N 324.425 -0.359 30 20 DBED N#CCNC(=O)CN1CCC(CNC(=O)CSCC#N)CC1 1222419895 IBCNGXFYUUSXND-UHFFFAOYSA-N 323.422 -0.289 30 20 DBED C#CCNC(=O)CC(=O)NC1CCN(Cc2cnn(C)n2)CC1 1226961743 LLHQVIIYHQBGCT-UHFFFAOYSA-N 318.381 -0.965 30 20 DBED C#CCO[C@H](C)C(=O)NC1CCN(CC(=O)NC2CC2)CC1 1227342521 PEOIHPIJJMYXMJ-GFCCVEGCSA-N 307.394 -0.116 30 20 DBED CN(C[C@@H]1CCN1CC(=O)NCC#N)C(=O)C1(N(C)C)CCC1 1235356693 YARRKCOXPMTYSV-ZDUSSCGKSA-N 321.425 -0.357 30 20 DBED Cn1ccnc1[C@@H]1CCCN(C(=O)NCC(=O)NCC#N)C1 1261100640 WNGXSAOQKHUROG-LLVKDONJSA-N 304.354 -0.051 30 20 DBED C#C[C@H](NC(=O)C(=O)NCCCc1nc(C)no1)[C@@H]1CCCO1 1261150394 YLCVARLHNLHSOW-RYUDHWBXSA-N 320.349 -0.276 30 20 DBED C=CCOC[C@H](NC(=O)[C@H](C)CN1CCOCC1)C(=O)O 1262177080 KAHKAGJUEDLAOM-NEPJUHHUSA-N 300.355 -0.273 30 20 DBED C#CCC[C@H](O)CNC(=O)C(=O)Nc1ccn(CC(F)F)n1 1321661866 JBHMNLZNDNANOY-VIFPVBQESA-N 314.292 -0.023 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N[C@H](C)CN(CC)CC)nn1 1325965451 SBUNXKDHLQCDTA-GFCCVEGCSA-N 322.413 -0.073 30 20 DBED C#CCSCCNC(=O)C(=O)N(C[C@@H](C)O)[C@H](C)CO 1326868897 FDSQYZRWJJSAGV-GHMZBOCLSA-N 302.396 -0.941 30 20 DBED C=CCOCCNC(=O)C(=O)N1CCC[C@@H](CNC(C)=O)C1 1327052863 NPMBIFHLYRQGAA-ZDUSSCGKSA-N 311.382 -0.320 30 20 DBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C[C@H]1CC(=O)N1 1328169758 FOKIUCOOFVTNAW-WDEREUQCSA-N 314.349 -0.336 30 20 DBED C#CC1CCN(C(=O)C(=O)N2CCC[C@H](C(=O)NC)C2)CC1 1329454683 WSCFIEGPQRVCBM-ZDUSSCGKSA-N 305.378 -0.157 30 20 DBED C#CCC[C@H](O)CNC(=O)C(=O)Nc1ccnc(OCCO)c1 1329570384 HCSISVVWLWLRBV-LBPRGKRZSA-N 321.333 -0.718 30 20 DBED C#C[C@H](NC(=O)C(=O)NCc1ccc(C(N)=O)o1)[C@H]1CCCO1 1329597752 OEHQHWYREGXHST-WDEREUQCSA-N 319.317 -0.708 30 20 DBED C=CCCn1cc(C(=O)Nc2ncn(CC(=O)N(C)C)n2)nn1 1332005208 SNGMWBSRFYLVLJ-UHFFFAOYSA-N 318.341 -0.214 30 20 DBED C=C[C@H](O)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1CO 1339385765 DEIGWHPSPRROJT-MNOVXSKESA-N 300.355 -0.027 30 20 DBED C=CCCC[C@H](C)NC(=O)C(=O)NCCNS(=O)(=O)CC 1342212263 KIEQPHNNVMIBNO-NSHDSACASA-N 319.427 -0.097 30 20 DBED C#CCN(C)CCCNC(=O)N[C@H](C)[C@H]1CN(C)CCN1C 1346373496 GHIPIXQZNRNAAV-HUUCEWRRSA-N 309.458 -0.125 30 20 DBED C#C[C@@H](NC(=O)C(=O)N1CCN(C(=O)OC)CC1)[C@H]1CCCO1 1347038718 JERMKGSFVIEWCE-VXGBXAGGSA-N 323.349 -0.806 30 20 DBED C#CC1CCN(C(=O)C(=O)N2CCC3(CC2)CNC(=O)O3)CC1 1353087486 MPCMOHFAVJFITR-UHFFFAOYSA-N 319.361 -0.041 30 20 DBED CCOC(=O)C[C@H](C)NC(=O)CCn1cc(C#N)c(O)nc1=O 1362655349 SWKMYRCDZDTXAL-VIFPVBQESA-N 322.321 -0.331 30 20 DBED N#Cc1ccc(CN2CC(NC(=O)CCn3cnnn3)C2)cc1 1366938089 DUVWUCVANDEKRP-UHFFFAOYSA-N 311.349 -0.065 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNCc1ncnn1C(C)(C)C 1367579878 LMTXCHNDAXMYNF-GHMZBOCLSA-N 308.386 -0.241 30 20 DBED C=C(Cl)CNC[C@@H](O)CNC(=O)[C@@H](C)CN1CCOCC1 1367622976 IISCLDTZRJPXDS-WCQYABFASA-N 319.833 -0.226 30 20 DBED CCN(CCC#N)C(=O)CNC[C@@H](C)NC(=O)c1cnccn1 1367654380 FMWVTBMWBRQRCC-GFCCVEGCSA-N 318.381 -0.053 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)[C@H]2COC(=O)N2)CCCC1 1375286193 WNSMACRUPOZNBI-NXEZZACHSA-N 308.338 -0.200 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1ccc2[nH]ccc2n1 1376653320 KSESTYKVKRKSJQ-NXEZZACHSA-N 315.333 -0.071 30 20 DBED C[C@H](CN(C)C(=O)CCCS(N)(=O)=O)NC(=O)[C@H](C)C#N 1383808309 CWGOKFWZVQKSHG-NXEZZACHSA-N 318.399 -0.822 30 20 DBED COC[C@H](OC)C(=O)NCC1CN(C(=O)c2ccc(C#N)[nH]2)C1 1389941857 MMLLAAXCDBTEGW-ZDUSSCGKSA-N 320.349 -0.264 30 20 DBED CNC(=O)NCC(=O)NC1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](C)C#N 1397231700 UWBXQBVFIDXNPJ-WAAKLRNESA-N 321.381 -0.287 30 20 DBED C[C@@H](C#N)C(=O)NCCN1CCN(C(=O)c2cocn2)CC1 1407451575 ZTWNNTVPFNRVQH-NSHDSACASA-N 305.338 -0.292 30 20 DBED C[C@H](CNC(=O)c1cc(C#N)c[nH]1)CNC(=O)[C@H]1CCC(=O)N1 1409669105 MHWBDMNWIHHFNL-GXSJLCMTSA-N 317.349 -0.353 30 20 DBED N#Cc1cn(CC(=O)N2CCCC3(C2)OCCO3)c(=O)nc1O 1411958479 TVOYNXXZKKUOGL-UHFFFAOYSA-N 320.305 -0.814 30 20 DBED COC(=O)CNC(=O)[C@@H]1CCCN1C(=O)c1c[nH]c(C#N)c1 1418094591 MTEKBTWPESHEFK-NSHDSACASA-N 304.306 -0.220 30 20 DBED C[C@H]1CC[C@@H](C)N1CC(=O)NCCn1cc(C#N)c(O)nc1=O 1418528754 GULXSVZWZWMDKB-PHIMTYICSA-N 319.365 -0.190 30 20 DBED CCC[C@@H](NC(N)=O)C(=O)NC[C@H]1C[C@@H](NC(=O)[C@H](C)C#N)C1 1426878415 RAAQRZIGBNABEG-WISYIIOYSA-N 323.397 -0.006 30 20 DBED C[C@H](C#N)C(=O)NCCN(C(=O)[C@H]1CCCC(=O)N1)C1CC1 1429943386 GRPZSZOWBWWQAB-ZYHUDNBSSA-N 306.366 -0.078 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H]1CNC(=O)CCn1cncn1 1430936144 SLSNAHZAXQESDR-VXGBXAGGSA-N 304.354 -0.065 30 20 DBED C[C@@H](C#N)C(=O)N(C)C[C@@H]1CCN(C(=O)Cc2nc[nH]n2)C1 1432111240 KFCFFQQMPDYIBB-QWRGUYRKSA-N 304.354 -0.186 30 20 DBED C=C(Cl)CNC[C@@H](O)CNC(=O)CNC(=O)C(C)(C)C 1439047554 SCRJTWWZIUFOAD-SNVBAGLBSA-N 305.806 -0.032 30 20 DBED CN(CCNC(=O)c1cc(C#N)c[nH]1)C(=O)[C@H]1C[C@H]1C(N)=O 1448787879 UKEICHLPPRTLJK-ZJUUUORDSA-N 303.322 -0.804 30 20 DBED CCN(CCNC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)[C@H](C)C#N 1449450013 RVGOAFOPAASACR-GHMZBOCLSA-N 315.395 -0.455 30 20 DBED Cn1cncc1CNC(=O)NCCn1cc(C#N)c(O)nc1=O 1479153457 VJYUGNJZUSDNBW-UHFFFAOYSA-N 317.309 -0.947 30 20 DBED C[C@@H](CNc1cnc(-c2nn[nH]n2)cn1)NC(=O)[C@H](C)C#N 1573585827 XGVSDVXZLJHMTG-SFYZADRCSA-N 301.314 -0.267 30 20 DBED N#Cc1ccc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)O)cn1 1574486452 XSRXXZWGHZFBJZ-JTQLQIEISA-N 309.303 -0.723 30 20 DBED C#CCN(C(=O)N[C@@H]1CCCS(=O)(=O)C1)C1CCNCC1 1574584187 XPNKPIPRFCNSHH-GFCCVEGCSA-N 313.423 -0.040 30 20 DBED CNC[C@H](O)[C@@H](C)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 1578640357 GXIJBYKZJWGJGB-OCCSQVGLSA-N 317.393 -0.182 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N1C[C@@H](C)[C@H](C(=O)O)C1 1588390354 SAASYYKMMWJPPI-GRYCIOLGSA-N 310.350 -0.290 30 20 DBED C=CCCN[C@@H](CO)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 1588609463 OPAZPNLSIOFJQT-SNVBAGLBSA-N 305.342 -0.549 30 20 DBED C[C@H](C(=O)NCC1(CC#N)CC1)n1cnc(-c2nn[nH]n2)n1 1588979364 ULLXJMZXTMUNCK-MRVPVSSYSA-N 301.314 -0.171 30 20 DBED COc1ncc(CCNc2cnc(C#N)c(-c3nn[nH]n3)n2)cn1 1591663719 XAINBMGRHMBMLW-UHFFFAOYSA-N 324.308 -0.018 30 20 DBED N#C[C@H]1CNC[C@H]1NC(=O)c1ccc(-c2nn[nH]n2)cc1F 1592671501 ICZBAPGJXRIELG-GZMMTYOYSA-N 301.285 -0.153 30 20 DBED N#Cc1ccc(C(=O)NCCn2cnc(-c3nn[nH]n3)n2)cc1 1592690608 MDMZONVOFCIGHI-UHFFFAOYSA-N 309.293 -0.240 30 20 DBED C[C@H]1CN(CCC(=O)O)CCN1C(=O)NCC#CCN(C)C 1594514579 AGTRNXLXGMCASV-ZDUSSCGKSA-N 310.398 -0.258 30 20 DBED N#CCNC(=O)CNC(=O)C(=O)Nc1ccccc1CC(=O)O 1594610350 XACLJQMFQIYBJC-UHFFFAOYSA-N 318.289 -0.992 30 20 DBED C#CCN1CCC[C@H](NS(=O)(=O)[C@H]2C[C@@H](C(=O)O)C2)C1 1602720425 RQOPFTOCMIHYQC-SDDRHHMPSA-N 300.380 -0.133 30 20 DBED N#C[C@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)OCC(N)=O 1609493227 JWSMZFMQYOHKOZ-JTQLQIEISA-N 300.278 -0.423 30 20 DBED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCC(N)=O 1649690243 MJZODQIRGWXVFZ-UHFFFAOYSA-N 300.322 -0.248 30 20 DBED C#CCNC(=O)[C@H](C)NCCN(C)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 1753233465 BNJXENWNKHCZQT-DGAVXFQQSA-N 307.394 -0.260 30 20 DBED C#CCCNC[C@H](O)CNC(=O)Cn1c(O)nc2ccccc21 1753928059 BNQOCSXNOYIGKK-LBPRGKRZSA-N 316.361 -0.168 30 20 DBED CC#CCNC[C@@H](O)CNC(=O)C1CCC(NC(C)=O)CC1 1753946626 FJTWKRZNVUEDRZ-YMAMQOFZSA-N 309.410 -0.229 30 20 DBED COCC#CCNC[C@H](C)NC(=O)c1ccoc1CC(N)=O 1754280347 QSVCUOCQDOPOLY-NSHDSACASA-N 307.350 -0.335 30 20 DBED C=CCNC(=O)CNC[C@@H](NC(=O)C12CCN(CC1)C2)C1CC1 1754458072 YEWAINGDRAVOHA-CQSZACIVSA-N 320.437 -0.131 30 20 DBED C#Cc1cncc(C(=O)NCC2(NCc3nc(O)n[nH]3)CC2)c1 1754524721 OKKHEBCMYBDOLV-UHFFFAOYSA-N 312.333 -0.061 30 20 DBED C=CCNC(=O)CNC[C@@H]1CCCN1C(=O)c1cnccn1 1754605875 TZXZTVFJYILRJU-LBPRGKRZSA-N 303.366 -0.027 30 20 DBED C#CCN1CC(O)(CNC(=O)Cc2ccc3c(c2)OCCO3)C1 1754776699 LANHRJMMFGLKKB-UHFFFAOYSA-N 316.357 -0.204 30 20 DBED CC#CCN1CC(O)(CNC(=O)[C@@H]2CCc3nnc(C)n3C2)C1 1754778710 HAHXSSVNKIXXDX-CYBMUJFWSA-N 317.393 -0.665 30 20 DBED C=C(Cl)CN1CCC[C@@](CO)(NC(=O)[C@H]2CCNC2=O)C1 1754857477 ISOCRNVJDMNFFW-SMDDNHRTSA-N 315.801 -0.182 30 20 DBED C#CCNCC1(NC(=O)[C@H](OC)[C@@H]2CCOC2)CCOCC1 1755096800 JQKHPTQCMUGGSU-ZIAGYGMSSA-N 310.394 -0.074 30 20 DBED CCOCCOCC(=O)N1CCN(C2CN(CC#N)C2)CC1 1755145803 CGDLTDOLROXZEX-UHFFFAOYSA-N 310.398 -0.609 30 20 DBED COCC#CCN1CC(CCO)(NC(=O)CCc2cnc[nH]2)C1 1755333249 CISJSASPQPHIRB-UHFFFAOYSA-N 320.393 -0.455 30 20 DBED COCC#CCN1C[C@@H](NC(=O)[C@H](C)CC(N)=O)C(C)(C)C1 1755409594 ABJFMYHTRQAMFQ-CHWSQXEVSA-N 309.410 -0.026 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)c2cnc(O)n2C)[C@@H]1C 1755659422 RYWXTDLFJFIDBN-GHMZBOCLSA-N 321.381 -0.380 30 20 DBED C=C1CC(C)(C(=O)NC[C@H](CO)NC(=O)c2cnn(CC)n2)C1 1756548426 MCDALRGOBQRLGC-LLVKDONJSA-N 321.381 -0.139 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H](O)CN(C)C(=O)c1ccco1 1756649702 BEKJNVKFCPLGSG-VXGBXAGGSA-N 308.334 -0.133 30 20 DBED CN(C[C@@H]1CCN1C(=O)c1nnn(C)n1)C(=O)C#CC1CC1 1757288663 CEMWRGWYXMLUBQ-NSHDSACASA-N 302.338 -0.704 30 20 DBED C[C@@H](O)C(=O)N1CC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1783516035 GQMDZCZZJDKTDJ-MLGOLLRUSA-N 306.362 -0.390 30 20 DBED CC(=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)S)C[C@@H]21 1786349381 RARSFYGTGYMFAF-BJDJZHNGSA-N 314.407 -0.127 30 20 DBED N#CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(O)[nH]1 1798179100 FYFBHJAWPDUEBZ-BZBKMWRSSA-N 319.321 -0.768 30 20 DBED CS(=O)(=O)CCC(=O)N1CC2(CCCN2C(=O)CC#N)C1 1842624466 YJHUHRAWONLSRV-UHFFFAOYSA-N 313.379 -0.462 30 20 DBED CC[C@H](C)[C@H](N)C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1842896615 KTXDOHNCXUDJJN-FZMZJTMJSA-N 321.377 -0.349 30 20 DBED C=CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)[C@H](C)NC=O)C1 1845176822 ROROCDSBLMONRB-QWHCGFSZSA-N 323.393 -0.085 30 20 DBED CC(=O)NCC(=O)NCC(=O)N(C)Cc1ccc(C#N)cc1 58834225 SUOZONYRRWFZRF-UHFFFAOYSA-N 302.334 -0.231 30 20 DBED CCN(CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)C[C@@H](C)C#N 64248873 WSXWTPYQSZYVCH-VIFPVBQESA-N 307.354 -0.670 30 20 DBED COC(=O)CCCS(=O)(=O)NC1CCN(CC#N)CC1 110824413 UGWCMAGGIPJOMQ-UHFFFAOYSA-N 303.384 -0.153 30 20 DBED CN(C)S(=O)(=O)c1cc(C(=O)n2ncc(C#N)c2N)co1 130821231 MCSZAHQDPUKSTJ-UHFFFAOYSA-N 309.307 -0.131 30 20 DBED C#CCNC(=O)[C@@H](C)Nc1cnn(CC(=O)N2CCOCC2)c1 186342651 HKNBBNAARBHYSO-GFCCVEGCSA-N 319.365 -0.708 30 20 DBED C#CCN1CCC(C(=O)N[C@H](CC(=O)OC)C(=O)OC)CC1 264722849 HWHXAKAWLKFMFQ-GFCCVEGCSA-N 310.350 -0.448 30 20 DBED C=CCN(CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1)C1CC1 271368529 GMLGPFVDIPWZDI-SNVBAGLBSA-N 315.395 -0.350 30 20 DBED COC(=O)[C@@H](CC(C)C)NC(=O)Cn1c(N)nc(C#N)c1C#N 298271846 FFZWNZJGZQDDNO-SECBINFHSA-N 318.337 -0.087 30 20 DBED C[C@H]1[C@@H](C)N(/C(O)=N/CC(=O)N2CCOCC2)CC[S@]1=O 329228280 IMZPAKVMDOQKSJ-NNUHMIRASA-N 317.411 -0.400 30 20 DBED CN(C[C@H](O)CN1CCOCC1)/C(O)=N/[C@@H]1CCCOC1 329643711 IGUVURHHNSANEU-OLZOCXBDSA-N 301.387 -0.296 30 20 DBED COC1(C)CN(/C(O)=N/C[C@@H]2CCN(S(C)(=O)=O)C2)C1 329731288 GQDGCXFVLCWWFU-JTQLQIEISA-N 305.400 -0.097 30 20 DBED C=CCOCC(=O)N(CCN(C)C)[C@H]1CCS(=O)(=O)C1 343719761 FPDNQPQUFRDUMW-LBPRGKRZSA-N 304.412 -0.234 30 20 DBED N#Cc1cccc(N2CCN(S(=O)(=O)c3nc[nH]n3)CC2)n1 357592641 AKZVNRBRTDKQCX-UHFFFAOYSA-N 319.350 -0.418 30 20 DBED C=CCOC[C@@H](NC(=O)[C@@H]1CN(CC)CCO1)C(=O)OC 357672243 QIFUSDJUUYZJIL-NEPJUHHUSA-N 300.355 -0.433 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N1CCN2C(=O)NC[C@H]2C1 375699564 YISQGJOBXKLGLB-UWVGGRQHSA-N 301.372 -0.825 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)c2c[nH]c(C)cc2=O)CC1 391600725 QZPRZAUZONOKIG-UHFFFAOYSA-N 318.377 -0.257 30 20 DBED CCN(CCC#N)C(=O)CN1CCN(C)C[C@@H](C(=O)OC)C1 411911045 STBLPMIDQDTTFH-CYBMUJFWSA-N 310.398 -0.215 30 20 DBED CCN(C(=O)Cn1cnc(C#N)n1)[C@H](C)CS(=O)(=O)CC 426770752 VOYLWNCOYUJYID-SNVBAGLBSA-N 313.383 -0.179 30 20 DBED CNC(=O)c1cc(S(=O)(=O)Nc2c(C#N)cnn2C)cn1C 438246091 YQHNBCGKVUKRHR-UHFFFAOYSA-N 322.350 -0.209 30 20 DBED C#CCN(CC#CC)C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 490700830 UUCLUHWDMRZTAC-UHFFFAOYSA-N 324.340 -0.269 30 20 DBED C#CCN1CCN(C(=O)CN2C[C@@H](C)S(=O)[C@H](C)C2)CC1 491783228 QPZJZECSQMAVFP-ZIAGYGMSSA-N 311.451 -0.395 30 20 DBED CCN(CCC#N)C(=O)Cn1cc(CCN2CCNCC2)nn1 603210461 YRVNSLRINPWWQO-UHFFFAOYSA-N 319.413 -0.512 30 20 DBED CN(CCCNC(=O)CN1CC[C@@](F)(C#N)C1)S(C)(=O)=O 615644748 KAIUSRRKLVXPGM-GFCCVEGCSA-N 320.390 -0.678 30 20 DBED CNC(=O)CNC(=S)NN=Cc1ccccc1OCC(=O)O 731929788 VUNIBUYQZGEKMW-UHFFFAOYSA-N 324.362 -0.306 30 20 DBED N#Cc1cc(-c2nn[nH]n2)c(SCCOCCO)nc1N 737706047 VFXKINOQLZJYGJ-UHFFFAOYSA-N 307.339 -0.183 30 20 DBED N#Cc1ccc(C(=O)COC(=O)c2cn(CC(N)=O)nn2)cc1 748292247 MYVRVAOAQULIRZ-UHFFFAOYSA-N 313.273 -0.325 30 20 DBED CCn1cc(C#N)c(=O)n(C[C@@H]2CC(C(=O)OC)=NO2)c1=O 760188575 LHLDNJHNHZMDLO-VIFPVBQESA-N 306.278 -0.781 30 20 DBED C=CCN1CC(=O)N([C@@H]2CCCN(S(C)(=O)=O)C2)C1=O 761159207 ZVMQSWJEQRSFBT-SNVBAGLBSA-N 301.368 -0.139 30 20 DBED C=CCN1CC(=O)N(C[C@H]2CCCN2S(C)(=O)=O)C1=O 762237810 NDGAGIBZSZQQNG-SNVBAGLBSA-N 301.368 -0.139 30 20 DBED COC[C@H](C#N)OC(=O)c1cc(S(N)(=O)=O)ccc1O 785257629 QPPKASAYFLHORV-ZETCQYMHSA-N 300.292 -0.265 30 20 DBED C=C(C)CS(=O)(=O)NCCS(=O)(=O)N1CCOCC1 797824572 PWKNQMOFCWIQPA-UHFFFAOYSA-N 312.413 -0.856 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(C)nc2)CC1 831556856 WPZSHIQWXROYEJ-UHFFFAOYSA-N 322.390 -0.385 30 20 DBED C[C@H](C(=O)N[C@H]1CNC[C@H]1C#N)N1C(=O)NC2(CCCC2)C1=O 834493084 AGGGAQPQHFYFPN-MXWKQRLJSA-N 319.365 -0.533 30 20 DBED C[C@@H](C(=O)N(C)CC(=O)N[C@H]1CCCN(O)C1=O)n1cccn1 848137410 ALWIRCDJYJOXMI-QWRGUYRKSA-N 323.353 -0.601 30 20 DBED C#CCCCS(=O)(=O)N1CCN(S(=O)(=O)C2CC2)CC1 859276472 LCENTPNKOVQRJN-UHFFFAOYSA-N 320.436 -0.161 30 20 DBED C#CCSCCNC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)OC 868297399 CPPHHEPIFGXKLF-UWVGGRQHSA-N 315.395 -0.282 30 20 DBED C#CC[C@H](CCOC)NC(=O)N1C[C@@H](C(=O)OC)C[C@@H](O)C1 875915068 RXDCGFBDUBTLOJ-YNEHKIRRSA-N 312.366 -0.020 30 20 DBED C#CC1(O)CN(C(=O)NCc2cccc(NS(C)(=O)=O)c2)C1 891719515 FZEQSAFNBKIXSB-UHFFFAOYSA-N 323.374 -0.052 30 20 DBED C#CCNS(=O)(=O)N1CCN(Cc2cccc(O)c2)CC1 895916003 SBIFSMKQVAIOPD-UHFFFAOYSA-N 309.391 -0.023 30 20 DBED C#Cc1ccc(C(=O)N(C)[C@H]2CCN(C(=O)CC(N)=O)C2)cn1 936954793 HIUYTZPLBCVUTL-ZDUSSCGKSA-N 314.345 -0.389 30 20 DBED C#Cc1ccc(C(=O)N(C)[C@@H]2CCN(C(=O)CC(N)=O)C2)nc1 936955730 PKFDFPLSJOJNHF-GFCCVEGCSA-N 314.345 -0.389 30 20 DBED Cc1ncnc(O)c1C(=O)N[C@H]1CCN(C(=O)[C@H](C)C#N)C1 938480803 HSGGVMXVEGCSDT-SCZZXKLOSA-N 303.322 -0.019 30 20 DBED O=C1NC[C@H](C(=O)NC[C@H]2CCCN2C(=O)C#CC2CC2)N1 944008053 ACUZIZPPAAYKSS-VXGBXAGGSA-N 304.350 -0.812 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(O)(CN[C@@H]2CCCN(C)C2=O)CC1 946918468 KQDNZFUEKSVSPQ-QWHCGFSZSA-N 322.409 -0.290 30 20 DBED C[C@H]1C[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)CCN1CC#N 947928532 BWFBGFGQLLRHFW-UWVGGRQHSA-N 315.337 -0.476 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(NC(=O)[C@@H]2CCCN2C(N)=O)CC1 948109574 IFSRYJWUAQXMBO-JQWIXIFHSA-N 321.381 -0.204 30 20 DBED C#Cc1ccc(C(=O)N2CCN([C@@H](C)C(=O)NC)CC2)nc1 957379089 ZUSNSIGBKQYOAY-LBPRGKRZSA-N 300.362 -0.045 30 20 DBED C[C@H](NC(=O)c1c[nH]c(C#N)c1)[C@@H]1CCN(C(=O)CC(N)=O)C1 959093274 JCXJVMWOGOVDRC-VHSXEESVSA-N 317.349 -0.271 30 20 DBED C=C[C@](C)(CC)C(=O)N1C[C@H](O)[C@H](NC(=O)c2cnnn2C)C1 962625211 CMFIGHSRMDTSNM-IFUGULHKSA-N 321.381 -0.281 30 20 DBED O=C(Cc1ccc[nH]1)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 964972918 OUEAXVSMEDXVKI-KGLIPLIRSA-N 301.346 -0.342 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(C[C@@H](NC(=O)C3=COCCO3)CO2)C1 965603810 ALXPZLJQTNHDPZ-WDEREUQCSA-N 321.333 -0.480 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](N(C)C(=O)C(N)=O)CC1 967636816 SLSXQDAGSKFNAZ-XQQFMLRXSA-N 323.393 -0.098 30 20 DBED COCCN1C[C@H](C(=O)N2CC[C@@H](N(C)CC#N)C2)CC1=O 971632674 GREUSXDOLQKSSP-CHWSQXEVSA-N 308.382 -0.462 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)Cn3cnnc3O)[C@@H]2C1 971876103 HTVKYXCMXRKBCU-GMTAPVOTSA-N 318.337 -0.797 30 20 DBED C=CCN1C[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C(C)(C)C1 977600865 HGRSJQAQIOBUGH-WDEREUQCSA-N 301.412 -0.309 30 20 DBED Cn1cc(C(N)=O)cc1C(=O)NCC1[C@H]2CN(CC#N)C[C@H]12 978439805 NJYJPWQRCFZNSV-VXGBXAGGSA-N 301.350 -0.445 30 20 DBED C=C(C)CCN1C[C@H]2C(CNC(=O)[C@@H]3CC(=O)NC(=O)N3)[C@@H]2C1 978809364 MGRUTQLYYPYWBW-AVGNSLFASA-N 320.393 -0.155 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1[C@H]2CN(CC(N)=O)C[C@H]12 978827196 JNQAURCEWWTRGM-ZGFBFQLVSA-N 307.394 -0.253 30 20 DBED C#CCN1CCCN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)CC1 982251032 AMJJWQBAALNQKH-UHFFFAOYSA-N 314.349 -0.761 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)c3nc[nH]n3)C2)[nH]1 982661743 NKNMMYBCTYTKAK-VIFPVBQESA-N 313.321 -0.103 30 20 DBED CN1CC[C@H](C(=O)N2CC(NC(=O)c3cc(C#N)c[nH]3)C2)C1 990704461 UJSTVSBPDUPBOK-NSHDSACASA-N 301.350 -0.221 30 20 DBED C#CCNC1CC(N(C)C(=O)[C@@H]2CCc3nnnn3CC2)C1 999436197 FQRGDQVAJQUNQD-PNESKVBLSA-N 302.382 -0.162 30 20 DBED CCC(=O)N1CC[C@H](C(=O)NC2CN(C(=O)C#CC3CC3)C2)C1 999685550 LCYPCSIUJZQVOC-ZDUSSCGKSA-N 317.389 -0.015 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C(N)=O 999890463 RSWDGNDEAFSJEO-BNDIWNMDSA-N 321.377 -0.299 30 20 DBED C[C@H](C#N)C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cn1cnnn1 1001249755 LPJCDOBRICIUFA-DBIOUOCHSA-N 303.326 -0.919 30 20 DBED C[C@@H]1CCN(C(=O)C(N)=O)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 1004745392 QNCORPNLKJMSQB-LDYMZIIASA-N 303.322 -0.662 30 20 DBED C[C@@H](NC(=O)c1nc[nH]n1)C1CN(C(=O)c2cc(C#N)c[nH]2)C1 1006613289 KBJNLVFAVVNIHP-MRVPVSSYSA-N 313.321 -0.105 30 20 DBED C[C@@H]1C[C@H](NC(=O)c2c[nH]c(=O)cn2)CN1C(=O)C#CC1CC1 1012590903 MVNHQRBRQBAFEY-PWSUYJOCSA-N 314.345 -0.098 30 20 DBED CC#CCN1CCC2(CC1)C[C@H]2NC(=O)Cn1c(O)nnc1O 1016946720 FUEQMNGZSVNSJI-LLVKDONJSA-N 319.365 -0.317 30 20 DBED CC(=O)N1CCO[C@H](C(=O)N[C@@H]2CC23CCN(CC#N)CC3)C1 1016953700 VPONQBBJCXJJJJ-UONOGXRCSA-N 320.393 -0.272 30 20 DBED C[C@H](C#N)C(=O)N1CCC2(CN(C(=O)[C@@H]3CCC(=O)N3C)C2)C1 1019291049 GVJJKPHXYIFCSL-NEPJUHHUSA-N 318.377 -0.172 30 20 DBED N#Cc1cc(C(=O)N[C@H]2C[C@H](N[C@@H]3CCC(=O)NC3=O)C2)c[nH]1 1020088174 CVGSMZRZAHIDIY-CKYFFXLPSA-N 315.333 -0.458 30 20 DBED C#CCN1CCC[C@H](CNC(=O)c2nc(O)nc(O)c2OC)C1 1023699828 IVMHEZDSAOVJBS-SNVBAGLBSA-N 320.349 -0.029 30 20 DBED Cn1nnc(CN2CCC[C@H]2CNC(=O)c2cc(C#N)c[nH]2)n1 1027812402 FKFMSNVOXGOBOE-NSHDSACASA-N 314.353 -0.196 30 20 DBED N#CCN1CC[C@H](CNC(=O)[C@H]2CCc3nnnn3CC2)C1 1028816329 CCNSTOGSJQRADA-NEPJUHHUSA-N 303.370 -0.413 30 20 DBED C#CCN1[C@H]2CC[C@H]1CN(C(=O)c1cn(C)c(=O)nc1O)C2 1029582241 KSQNJMRAYOCMQL-QWRGUYRKSA-N 302.334 -0.592 30 20 DBED C#CCCN1CC(NC(=O)c2ccc(OCC(N)=O)cc2)C1 1030639754 KEEJELYFASNJCD-UHFFFAOYSA-N 301.346 -0.012 30 20 DBED C=CCCN1CC[C@H](N(C)C(=O)c2cn(C)c(=O)n(C)c2=O)C1 1033472910 JRWOXOGUYGKMRL-LBPRGKRZSA-N 320.393 -0.194 30 20 DBED CC#CCN1CCCC[C@@H](NC(=O)CN2CCNC(=O)C2)C1 1034346974 VJSRGFZFNPDSDE-CQSZACIVSA-N 306.410 -0.588 30 20 DBED C=C(Cl)CN1CCO[C@@H](CNC(=O)[C@@H]2COCCN2C)C1 1035332371 BBDGRRUXSCGUBT-STQMWFEESA-N 317.817 -0.114 30 20 DBED C#CCN1CCO[C@H](CNC(=O)[C@H]2CCc3cncn3C2)C1 1035418429 HOFFVIWJQRERCR-DZGCQCFKSA-N 302.378 -0.104 30 20 DBED C#CCCN1CCO[C@@H](CNC(=O)[C@H]2CCS(=O)(=O)C2)C1 1035438338 LILPPIOVLVJNPQ-STQMWFEESA-N 314.407 -0.739 30 20 DBED C=CCCn1cc(C(=O)NC[C@@H]2CCN2CC(=O)N(C)C)nn1 1038790186 OTVILVMPJQKSHF-LBPRGKRZSA-N 320.397 -0.254 30 20 DBED C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1ccc(O)nc1=O 1039401177 NIYCTRZLYOMCPH-OLZOCXBDSA-N 316.361 -0.353 30 20 DBED C=CCCn1cc(C(=O)NC[C@]2(O)CCN(C(C)=O)C2)nn1 1039829945 AQRFKDUJMWFPKS-CQSZACIVSA-N 307.354 -0.433 30 20 DBED C=CCO[C@H](C)C(=O)NC[C@@]1(O)CCN(C(=O)c2ncc[nH]2)C1 1040161979 RRHYKEZZZRJTDJ-ABAIWWIYSA-N 322.365 -0.306 30 20 DBED C#CCN1CCC[C@]2(CCN(C(=O)Cn3c(O)nnc3O)C2)C1 1040511557 YTZRKLFCKHJNOS-HNNXBMFYSA-N 319.365 -0.363 30 20 DBED Cc1c[nH]nc1C(=O)N1CC[C@](O)(CNC(=O)[C@@H](C)C#N)C1 1040763231 NYQOBWGSOHKHAO-XPTSAGLGSA-N 305.338 -0.429 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCC(=O)NC2)C1 1041973023 ORBCZNHVWGWEND-LLVKDONJSA-N 309.366 -0.832 30 20 DBED C=CCN1CC[C@@H]2CCN(C(=O)CN3CCOCC3=O)C[C@H]21 1042098976 VJWOWXYKZRHSMR-ZIAGYGMSSA-N 307.394 -0.046 30 20 DBED COCC1(CC(=O)NCC2(O)CN(C(=O)[C@@H](C)C#N)C2)CC1 1042987729 KESSVGYRSHFOLC-NSHDSACASA-N 309.366 -0.348 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)C(F)=C(C)C)C1 1043033072 QGTARQOUJHICKU-UHFFFAOYSA-N 312.341 -0.021 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)[C@H]2CC2(F)F)C1 1043040660 VRIAJSKTDZBAFW-VHSXEESVSA-N 316.304 -0.631 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)Cc2cnn(C)c2C)C1 1043343798 SWQKGFZTOZESAU-UHFFFAOYSA-N 320.393 -0.073 30 20 DBED CC[C@@H](C(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1)N(C)C 1044041475 KRQLYICHZWUDRB-ZDUSSCGKSA-N 307.394 -0.571 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)CCn2ccnc2)C1 1044138101 XOQAYJCPMZCSMH-UHFFFAOYSA-N 318.377 -0.234 30 20 DBED O=C(Cc1ncc[nH]1)NCC1(O)CN(C(=O)C#CC2CC2)C1 1045281376 GVLBZXXSXDIHBN-UHFFFAOYSA-N 302.334 -0.945 30 20 DBED C#CCN1CCC(F)(F)[C@H](CNC(=O)C2CS(=O)(=O)C2)C1 1046939620 OPMNHZYALGWQAF-LLVKDONJSA-N 320.361 -0.262 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)[C@@H](C)[C@@H]2CCC(=O)N2)C1 1047048638 YTBRGLKYMCWIBB-RYUDHWBXSA-N 323.393 -0.443 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C(N)=O)co2)C1 1047524118 BFHSWLNGZJWWGX-RYUDHWBXSA-N 305.334 -0.481 30 20 DBED CCO[C@@H]1CN(C(=O)C(N)=O)C[C@H]1CNc1ncccc1C#N 1047926097 YKBJEGFZZGVSOQ-VXGBXAGGSA-N 317.349 -0.286 30 20 DBED CCCCOCC(=O)N(C)[C@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1O 1048597064 IOSZLWXVCLJWHP-AVGNSLFASA-N 311.382 -0.007 30 20 DBED C=C[C@@](C)(O)CC(=O)N(C)[C@H]1CN(C(=O)[C@@H](C)OC)C[C@@H]1O 1048757677 LXAXLWFAHQCZEM-OXJKWZBOSA-N 314.382 -0.622 30 20 DBED CC[C@H](C(=O)N(C)[C@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1O)N(C)C 1049027523 NLQUQXNOMVFFDD-RNJOBUHISA-N 310.398 -0.484 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)c2csc(O)n2)C[C@@H]1O 1049407347 FBEPLBDFTKSZCK-JEZHCXPESA-N 324.362 -0.348 30 20 DBED C[C@H](NC(=O)Cn1cnnn1)[C@H]1CCN(C(=O)C#CC2CC2)C1 1050667098 VYKHPDPBAUGKSB-AAEUAGOBSA-N 316.365 -0.560 30 20 DBED C[C@@H]1[C@@H](NC(=O)[C@H]2CCNC2=O)CCN1c1cnc(C#N)cn1 1050849832 QATJNBJMFZDEPY-USWWRNFRSA-N 314.349 -0.432 30 20 DBED Cn1nnc(C(=O)NCC2CC(Nc3ccc(C#N)nn3)C2)n1 1052054446 OPOIPICODVXTFJ-UHFFFAOYSA-N 313.325 -0.508 30 20 DBED C=C(C)CN1CC2(C1)CN(C(=O)[C@@H]1COCCN1C)CCO2 1053226840 XGYQBRYBEPNNCQ-AWEZNQCLSA-N 309.410 -0.194 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)[C@@H]1CC[C@H]1C(N)=O)CCO2 1053373854 SBSYYHMAYMPPIS-CHWSQXEVSA-N 305.378 -0.566 30 20 DBED C[C@@H]1CN(C(=O)c2cnc3c(c2)NC(=O)CO3)C[C@H]1NCC#N 1054866549 JDWHDNPHYLTVAF-BXKDBHETSA-N 315.333 -0.014 30 20 DBED N#Cc1cc(C(=O)NCCN(CCO)C(=O)[C@@H]2CCCO2)c[nH]1 1056892443 ALZGLLTVIAIMTI-ZDUSSCGKSA-N 320.349 -0.384 30 20 DBED CC(C)OCC(=O)N(CCO)CCNC(=O)CSCC#N 1057135539 LRDGNBSWPKFQNT-UHFFFAOYSA-N 317.411 -0.395 30 20 DBED C=C[C@H](CC)CC(=O)NCCN(CCO)C(=O)CC(=O)NC 1057416829 JRDPRKFBMHQTOT-GFCCVEGCSA-N 313.398 -0.338 30 20 DBED CCC(=O)N[C@@H](C)C(=O)N(CCO)CCNC(=O)C#CC1CC1 1057847743 RNHSEUWIXJWHDR-LBPRGKRZSA-N 323.393 -0.748 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(CCO)CCNC(=O)C(F)F 1057961301 QNDRMRAOHPCHQJ-NSHDSACASA-N 317.336 -0.714 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)c1coc(C(N)=O)c1 1058145445 XFTLPDPRRXOSSY-UHFFFAOYSA-N 323.349 -0.105 30 20 DBED CC#CCCCC(=O)N(CCO)CCNC(=O)[C@@H]1CCC(=O)N1 1058442386 BRHVRYZTEVTNGK-ZDUSSCGKSA-N 323.393 -0.604 30 20 DBED Cc1cc(C#N)nc(N2CC[C@@H](NC(=O)Cc3nc[nH]n3)C2)n1 1058443864 VVNMQYJWHGOFAN-SNVBAGLBSA-N 312.337 -0.288 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)CCc1ccncn1 1058656699 IWOLNILTKCONLM-LBPRGKRZSA-N 319.365 -0.494 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)C[C@H](C)n1cccn1 1058833356 ZLFTVLVDUQZMFD-STQMWFEESA-N 321.381 -0.069 30 20 DBED N#Cc1cnc(N[C@H]2C[C@@H](NC(=O)[C@@H]3CC[C@H]3C(N)=O)C2)cn1 1059784419 QRARRQHBOMYXPJ-RBLKWDMZSA-N 314.349 -0.081 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)Cc1ccnn1C 1061535664 IWNXTNPKNPICEX-DGCLKSJQSA-N 319.365 -0.534 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)CCc1ncc[nH]1 1061544115 BAELAEXOPBSOOS-VXGBXAGGSA-N 319.365 -0.154 30 20 DBED N#Cc1ccc(N2CC[C@@H](CNC(=O)[C@H]3CCNC3=O)C2)nn1 1061694623 LJUMFAHPKJNREE-JQWIXIFHSA-N 314.349 -0.573 30 20 DBED Cn1nnc(C(=O)NC[C@@H]2CCN(c3ccc(C#N)cn3)C2)n1 1061705885 LMUOXXAIHNNPIJ-NSHDSACASA-N 312.337 -0.267 30 20 DBED CCn1ncc(C(=O)N2CCOC[C@@H]2CNC(=O)[C@@H](C)C#N)n1 1061847669 MINYQMYZTHDVPP-QWRGUYRKSA-N 320.353 -0.585 30 20 DBED Cc1c[nH]nc1C(=O)N1CCOC[C@H]1CNC(=O)[C@H](C)C#N 1061848873 WDWKVKRDZTYOOR-MWLCHTKSSA-N 305.338 -0.165 30 20 DBED C#CCCCC(=O)N1CCCC[C@@H]1CNC(=O)[C@@H]1CNC(=O)N1 1062166763 WKURFYBYFBAOKP-OLZOCXBDSA-N 320.393 -0.031 30 20 DBED N#Cc1cncc(N2C[C@@H]3C[C@H]2CN3C(=O)CCn2cncn2)n1 1062438370 JRMHTERQHKVXOW-STQMWFEESA-N 324.348 -0.180 30 20 DBED C=C[C@@](C)(O)CC(=O)NC1(CNC(=O)CC(=O)NC)CCC1 1062843024 OIOWWMQGOWSCSO-CQSZACIVSA-N 311.382 -0.395 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)[C@@H]2CN(C)C(=O)N2)CCC1 1063915921 UXQPSFXZYAAKHB-ZJUUUORDSA-N 307.354 -0.675 30 20 DBED C=CCCO[C@@H](C)C(=O)NC[C@H]1CN(C(=O)COC)CCO1 1064752245 AENYZMLIRLTWRV-STQMWFEESA-N 314.382 -0.042 30 20 DBED C=CCCC(=O)N1CCO[C@H](CNC(=O)CCn2ccnn2)C1 1064956279 VJSDOIRBWKTJLA-CYBMUJFWSA-N 321.381 -0.022 30 20 DBED Cc1nnc(CC(=O)N2CCO[C@H](CNC(=O)[C@H](C)C#N)C2)o1 1065113516 JUKALFOEIJXZCL-MWLCHTKSSA-N 321.337 -0.576 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2n[nH]cc2C)CCO1 1065133445 VPZSZWCLRALYIG-GFCCVEGCSA-N 322.365 -0.122 30 20 DBED CN(C(=O)[C@H]1CCCO1)[C@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1065565856 AWGRTQBOSVQIAU-RWMBFGLXSA-N 317.349 -0.465 30 20 DBED N#Cc1nc(=NC[C@H]2C[C@H](NC(=O)[C@H]3COCCO3)C2)cc[nH]1 1068448715 NHSCZZMACXWITO-IJLUTSLNSA-N 317.349 -0.508 30 20 DBED CC(C)(C)C#CC(=O)NC[C@@H]1CCC2(CN(C(=O)C(N)=O)C2)O1 1068572403 IFFTYBCBWPCAMH-NSHDSACASA-N 321.377 -0.603 30 20 DBED C=CC(C)(C)C(=O)N1CC2(C[C@H](NC(=O)CNC(N)=O)CO2)C1 1068691098 ALSALSCFXISVKG-JTQLQIEISA-N 324.381 -0.647 30 20 DBED C[C@@H]1C[C@H](Nc2cncc(C#N)n2)CN1C(=O)Cn1ncnn1 1069153470 ZWBLYWYDEPKUHU-ZJUUUORDSA-N 313.325 -0.564 30 20 DBED C=CCCC(=O)NC1(CNC(=O)CC(=O)NC)CCOCC1 1070032548 ZPCIFONRVMWTLQ-UHFFFAOYSA-N 311.382 -0.130 30 20 DBED CN1CCCC[C@H]1C(=O)N1C[C@H](n2ccnn2)[C@H](NCC#N)C1 1070219868 OHXMZTKXGHKYMB-RDBSUJKOSA-N 317.397 -0.373 30 20 DBED C#CCCN1CCNC(=O)CCN(C(=O)Cc2cc[nH]n2)CC1 1070950331 SQCDMJUNMVQGBB-UHFFFAOYSA-N 317.393 -0.374 30 20 DBED C=CCOCC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CCN(C)C2=O)C1 1071122715 BNZVRTATRCVZEM-CHWSQXEVSA-N 323.393 -0.226 30 20 DBED CC(C)C#CC(=O)N1C[C@H](C)[C@@H](NC(=O)Cn2nccn2)C1 1072049730 VZJRCRWCOWSMIR-STQMWFEESA-N 303.366 -0.099 30 20 DBED C#CCN1C[C@H](NC(=O)c2cn(C)c(=O)nc2O)CC[C@H]1C 1072071187 WLPVOWUNBZSBKW-GHMZBOCLSA-N 304.350 -0.298 30 20 DBED C[C@H]1CN(C(=O)CC#Cc2ccccc2)C[C@@H]1NC(=O)C(N)=O 1072206846 YGWPTGZRKUUZRA-JSGCOSHPSA-N 313.357 -0.123 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1 1073605468 LIOHOXAYBUOBEA-MGPQQGTHSA-N 307.394 -0.259 30 20 DBED C#CCCN1CCCO[C@@H](CNC(=O)c2nnc(O)nc2O)C1 1073679644 RAWCXAUSDGITCC-JTQLQIEISA-N 321.337 -0.873 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)[C@H]2CCCN2C(C)=O)C1 1073901827 GNVILXLOJNZCHM-LSDHHAIUSA-N 307.394 -0.162 30 20 DBED CCn1nc(C)c(C(=O)NC[C@H]2CN(CC#N)CCCO2)n1 1073914509 VJVCILAQQKOFDM-LBPRGKRZSA-N 306.370 -0.049 30 20 DBED N#CCN1CCO[C@@H]2CCN(C(=O)CCn3cncn3)C[C@@H]21 1074170303 LXSRXBROVCHNHD-QWHCGFSZSA-N 304.354 -0.507 30 20 DBED C[C@H]1C[C@H](NC(=O)C#CC2CC2)CCN1C(=O)Cn1cnnn1 1074980291 WQEVJUCYENBIGC-WCQYABFASA-N 316.365 -0.418 30 20 DBED N#CCN[C@@H]1CCCO[C@H]1C1CCN(C(=O)CC(N)=O)CC1 1075407212 XPKUQPRBUBVLNQ-DOMZBBRYSA-N 308.382 -0.239 30 20 DBED C#CCN1CCC(C(=O)N2CC[C@H]3CN(CCO)C[C@H]32)CC1 1076605646 LKKMKWWOKHSNHT-JKSUJKDBSA-N 305.422 -0.143 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCNC(=O)C2)C1 1076873217 BVMSWTCIEZKLND-HBNTYKKESA-N 301.774 -0.574 30 20 DBED Cn1cc(-c2n[nH]cc2C(=O)N[C@@H]2CN(CC#N)C[C@H]2O)cn1 1077981607 ULBLWVQCENBPJM-VXGBXAGGSA-N 315.337 -0.891 30 20 DBED C[C@@H](CCNC(=O)[C@@H](C)C#N)NC(=O)CCNS(C)(=O)=O 1078135352 XRVUGLAXIOXOTR-UWVGGRQHSA-N 318.399 -0.904 30 20 DBED C=CCOCC(=O)NC1(CO)CCN(C(=O)COCC)CC1 1080772853 BSLPGMQITCIUAM-UHFFFAOYSA-N 314.382 -0.305 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2cncn2C)C[C@H]1O 1081347603 XXXYVAAVQMGTOZ-DGCLKSJQSA-N 322.365 -0.828 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)c2ccncn2)C[C@@H]1O 1081438365 BNVMJXKYBGFDRI-JSGCOSHPSA-N 316.361 -0.171 30 20 DBED C=CCCC(=O)N1C[C@H](CNC(=O)c2cnc(O)n2C)[C@@H](O)C1 1081639783 DDMIFSCBWWTCMR-JQWIXIFHSA-N 322.365 -0.359 30 20 DBED O=C(Cc1ncc[nH]1)NC[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 1081692102 BSJVOMXQNFNNOR-OLZOCXBDSA-N 316.361 -0.699 30 20 DBED Cn1nc(CC(=O)N[C@@H]2CN(CC#N)C[C@@H]2O)c2ccccc21 1083464658 QYSLZDQBXARVGC-HIFRSBDPSA-N 313.361 -0.199 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)c2cc(=O)n(C)cn2)C1 1083537880 VAFRHDOBQBRUMX-MNOVXSKESA-N 312.757 -0.692 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)c2cncc(-n3ccnn3)c2)C1 1083668469 RKQKKRSJKQBSJR-KGLIPLIRSA-N 314.349 -0.377 30 20 DBED CN(C[C@H]1CCN1Cc1nnnn1C)C(=O)c1ccc(C#N)[nH]1 1085552926 RYCRZZUDVIHALN-LLVKDONJSA-N 314.353 -0.244 30 20 DBED C#CCN1CC[C@H](NC(=O)c2nc3ncc(C)cn3n2)[C@@H](O)C1 1090349662 OZISZYNLCYEAOV-RYUDHWBXSA-N 314.349 -0.769 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(c2cc(C)ncn2)C[C@H]1O 1090488382 IJGBJWALWAEPGY-JHJVBQTASA-N 304.350 -0.511 30 20 DBED CO[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1NC(=O)CC(C)(C)O 1090883079 GVIZAWVCUTZKQQ-VXGBXAGGSA-N 319.365 -0.171 30 20 DBED C=CCCC(=O)N[C@@H]1CN(c2ncnc3c2cnn3C)C[C@@H]1O 1091075032 PPGUXSYZSYYVAR-NEPJUHHUSA-N 316.365 -0.005 30 20 DBED CNC(=O)CC(=O)NC[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1C 1092355958 LXZJJHPTEXDXKC-GHMZBOCLSA-N 316.365 -0.327 30 20 DBED C=CCN1CC[C@@H](NCc2cn(C3CN(C(C)=O)C3)nn2)C1=O 1093295350 WSDIQNHLJOAVMD-CQSZACIVSA-N 318.381 -0.442 30 20 DBED C#CCN1CC(OC2CCN(C(=O)[C@H]3CN(C)C(=O)N3)CC2)C1 1093560265 HANVOFYHNQHLCP-CQSZACIVSA-N 320.393 -0.665 30 20 DBED N#Cc1ccc(NCCNC(=O)CNC(=O)c2ccco2)nn1 1093613632 VMMHDJLNZCYINJ-UHFFFAOYSA-N 314.305 -0.101 30 20 DBED N#Cc1cncc(NCCNC(=O)C[C@H]2CCC(=O)NC2)n1 1093924225 IRFQQXABJDUMHD-SNVBAGLBSA-N 302.338 -0.207 30 20 DBED C[C@@H]1C[C@H](C(=O)NCCNc2cnc(C#N)cn2)CC(=O)N1 1093982937 PHQREJIMYSUWKC-ZJUUUORDSA-N 302.338 -0.209 30 20 DBED N#Cc1nccnc1NCCNC(=O)c1ccc(C(N)=O)o1 1094259001 FGQLETFRSBCJEH-UHFFFAOYSA-N 300.278 -0.118 30 20 DBED CCn1cc(C(=O)NCc2cn(C3CN(CC#N)C3)nn2)cn1 1094281026 GWIZBMHZFPCLMH-UHFFFAOYSA-N 314.353 -0.195 30 20 DBED Cc1cc(=NCCNC(=O)c2cn(C)c(=O)cn2)c(C#N)c[nH]1 1094291800 QPJCACDZCZIRTP-UHFFFAOYSA-N 312.333 -0.381 30 20 DBED C#CCN1CC(n2cc(CNC(=O)c3[nH]nnc3C)nn2)C1 1094309644 IYJKACVTGNYSKZ-UHFFFAOYSA-N 300.326 -0.875 30 20 DBED Cc1conc1C(=O)N1CCN(CC#N)[C@H]2CS(=O)(=O)C[C@H]21 1094674086 VRXLMVGCHCVEII-WDEREUQCSA-N 324.362 -0.570 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)c3ccncc3F)CC2=O)C1 1094717882 PLKASSBPYZKBCD-NSHDSACASA-N 316.336 -0.131 30 20 DBED N#CCN1CC(N2C[C@@H](NC(=O)c3ncccn3)CC2=O)C1 1094802937 CDDIOCDBWDPLBD-JTQLQIEISA-N 300.322 -0.985 30 20 DBED C#CCN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cc(=O)n(C)cn1)C2 1094940602 IPKOEICWNQODLQ-XQQFMLRXSA-N 300.362 -0.004 30 20 DBED C[C@@H](C(=O)N[C@H]1C[C@@H](Nc2cncc(C#N)n2)C1)S(C)(=O)=O 1097265199 WRJXNWFCBFADSO-LPEHRKFASA-N 323.378 -0.160 30 20 DBED Cc1cc(C#N)nc(N[C@H](C)CNC(=O)[C@@H]2CCC(=O)N2)n1 1097978250 SSMVEAAUGKFEIH-KOLCDFICSA-N 302.338 -0.148 30 20 DBED C[C@@H](CNC(=O)[C@H]1CC(=O)N(C)C1)Nc1nccnc1C#N 1098346616 SAWBUKHDYFTEPF-UWVGGRQHSA-N 302.338 -0.257 30 20 DBED C[C@@H](CNC(=O)CCS(C)(=O)=O)N=c1cc[nH]c(C#N)n1 1098393437 YKEKHKMUQNQOSP-VIFPVBQESA-N 311.367 -0.879 30 20 DBED C[C@H](CNC(=O)c1nnc(O)nc1O)Nc1cnc(C#N)cn1 1098435875 UCDMMFPPHVYEQC-ZCFIWIBFSA-N 316.281 -0.825 30 20 DBED C[C@H](NC(N)=O)C(=O)N1CC[C@@H](CNc2ccc(C#N)nn2)C1 1098521961 QGSFRXUNFDZRNY-UWVGGRQHSA-N 317.353 -0.335 30 20 DBED C#CCN1C[C@@H](NC(=O)CNC(C)=O)CC2(CCOCC2)C1 1099560049 OVFANJNHTQZSKT-AWEZNQCLSA-N 307.394 -0.257 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2cccnc2)[C@H](O)C1 1099622692 BVNAFABDCXOPRR-HUUCEWRRSA-N 303.362 -0.104 30 20 DBED C=C(C)CCN1CC[C@@H](NC(=O)CCNC(=O)NC)[C@@H](O)C1 1099814067 YYKLJZLQUHMFBU-OLZOCXBDSA-N 312.414 -0.177 30 20 DBED CC#CCN1CC[C@H](NC(=O)CNC(=O)c2ccoc2)[C@@H](O)C1 1099844038 AUVRSPWERYLVJV-KBPBESRZSA-N 319.361 -0.416 30 20 DBED COCC#CCN1CC[C@H](NC(=O)Cc2cnoc2)[C@H](O)C1 1099962756 TZVHNOXCLGVEGG-UONOGXRCSA-N 307.350 -0.582 30 20 DBED CNC(=O)NCCC(=O)NCCN(C)c1ccnc(C#N)n1 1100059400 SFWUZYRYPQXUQC-UHFFFAOYSA-N 305.342 -0.780 30 20 DBED CCN1CCOC[C@@H]1C(=O)NCCN(C)c1cncc(C#N)n1 1100219623 GXCDCYUKVGJOOQ-CYBMUJFWSA-N 318.381 -0.379 30 20 DBED CO[C@@H](C(=O)NCCN(C)c1ccc(C#N)nn1)[C@H]1CCOC1 1100250634 JWKHRYBRJWKCLV-SMDDNHRTSA-N 319.365 -0.048 30 20 DBED CCN(CCNC(=O)[C@@H]1CN(C)C(=O)N1)c1ccncc1C#N 1100684182 KBRZYMNUBYLGPB-LBPRGKRZSA-N 316.365 -0.081 30 20 DBED CN(CCNc1cncc(C#N)n1)C(=O)C[C@H]1CC(=O)NC1=O 1101680386 KOIWTYFOFKHEFM-SECBINFHSA-N 316.321 -0.729 30 20 DBED CC#CCN1C[C@@H](C)[C@H](CNC(=O)[C@H](C)NC(=O)COC)C1 1101992593 VWJOPPSOVLRBDO-HZSPNIEDSA-N 309.410 -0.155 30 20 DBED N#Cc1nccc(N2[C@H]3CC[C@H]2CN(C(=O)CNC(N)=O)C3)n1 1102183842 FYCBJTOFHBQVQQ-UWVGGRQHSA-N 315.337 -0.804 30 20 DBED CC[C@H](CNC(=O)Cn1cnnn1)Nc1nc(C)cc(C#N)n1 1102968304 ANOGUHXKMLRRDH-SNVBAGLBSA-N 315.341 -0.350 30 20 DBED CC#CCN1C[C@@H](C)[C@H](CCNC(=O)C[C@@H]2NC(=O)NC2=O)C1 1103098612 AZFRRLNSNIVIRJ-UPJWGTAASA-N 320.393 -0.318 30 20 DBED CC[C@@H](CNC(=O)Cn1ncnn1)Nc1nccnc1C#N 1103207883 NVHBTXGGMXOJGP-VIFPVBQESA-N 301.314 -0.658 30 20 DBED C[C@@H](CC(=O)N(C)[C@@H](C)CN=c1cc[nH]c(C#N)n1)NC(N)=O 1104684711 CLXCIUYFHBJXLF-UWVGGRQHSA-N 319.369 -0.524 30 20 DBED CNC(=O)NCC(=O)NC[C@@H](Nc1ccc(C#N)nn1)C(C)C 1105298637 NMSXTYTWAHQUHZ-LLVKDONJSA-N 319.369 -0.170 30 20 DBED C=CCNCc1cn(C2CN(C(=O)[C@H](C)OCCOC)C2)nn1 1105336701 JWFOUFHJMARXGO-LBPRGKRZSA-N 323.397 -0.012 30 20 DBED CNC(=O)NCCC(=O)N(C)CCN(C)c1cncc(C#N)n1 1105382856 KMFXDFHRUOCWMD-UHFFFAOYSA-N 319.369 -0.438 30 20 DBED Cc1cc(C(=O)NC[C@H](O)CNc2cncc(C#N)n2)nn1C 1105733135 JKCVHCPMPDVKON-LLVKDONJSA-N 315.337 -0.407 30 20 DBED Cc1cc(C(=O)NC[C@H](O)CNc2nccnc2C#N)n(C)n1 1105733142 JVNQDLXNHBEOGT-SNVBAGLBSA-N 315.337 -0.407 30 20 DBED CC(C)[C@@H](C(=O)NC[C@H](O)CN=c1cc[nH]cc1C#N)N(C)C 1105916866 BKHPGFUFWNNUAZ-HIFRSBDPSA-N 319.409 -0.150 30 20 DBED C=CCNC[C@@H]1CN(C(=O)c2cnc(O)n(C)c2=O)C[C@H]1C 1106513783 OIVLBQDCIAVXFM-GHMZBOCLSA-N 306.366 -0.030 30 20 DBED C#CCO[C@@H](C)C(=O)N(CC)CCNc1ccc2nnnn2n1 1106852775 ONNUPBVGGDWNIW-NSHDSACASA-N 317.353 -0.182 30 20 DBED C#CCCN1CC(n2cc(CNC(=O)[C@@H](C)NC(C)=O)nn2)C1 1107120057 TWOQTNRXQRAPSS-LLVKDONJSA-N 318.381 -0.701 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)CNc1cc(C)nc(CO)n1 1107695344 DYNFDKPALUMFMP-LLVKDONJSA-N 319.365 -0.667 30 20 DBED C=CCOCCN1CCO[C@@](C)(CNC(=O)CNC(C)=O)C1 1107696932 WLQDERNDEAHZTF-HNNXBMFYSA-N 313.398 -0.468 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H](C)CNc1ccc2nnnn2n1 1107947688 AXEXTGPQPASAEZ-ZJUUUORDSA-N 303.326 -0.526 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)c2cccn3nnnc23)C1 1107968333 CQALEDWMFLVYAP-OAHLLOKOSA-N 314.349 -0.422 30 20 DBED Cn1ccc(C(=O)NC[C@]2(C)CN(CC#N)CCO2)cc1=O 1108032446 XYAMYMZYJIQKCW-OAHLLOKOSA-N 304.350 -0.270 30 20 DBED CCc1nc(C#N)cc(NC[C@H](C)NC(=O)[C@@H]2CNC(=O)N2)n1 1108669382 UONMHNJQPKJIEE-WPRPVWTQSA-N 317.353 -0.491 30 20 DBED C[C@@H](CN(C)c1ccnc(C#N)n1)NC(=O)Cn1nccn1 1109103214 FFYJNQFPVLULNX-JTQLQIEISA-N 300.326 -0.419 30 20 DBED N#Cc1cncc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)CCc2nc[nH]n2)n1 1109692592 AVXPMEDKLNADMT-VPJDZLOFSA-N 324.348 -0.208 30 20 DBED N#Cc1cncc(N2CC[C@@](O)(CNC(=O)c3cc[nH]n3)C2)n1 1111031476 IBIUKODSSASNNP-CQSZACIVSA-N 313.321 -0.557 30 20 DBED CCCOCC(=O)NC[C@@]1(O)CCN(c2cnc(C#N)cn2)C1 1111038131 SZSTZEZEYQKCFI-HNNXBMFYSA-N 319.365 -0.168 30 20 DBED CCOCCC(=O)NC[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1O 1112701652 JJXWJQLYGBIGPE-VXGBXAGGSA-N 319.365 -0.312 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(c2ccc(C)nn2)C[C@H]1O 1112702307 QCNYQIWUXNJWJA-QWHCGFSZSA-N 306.366 -0.099 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)[C@@H](C)n2cncn2)CC1 1112770623 SKTQIFBIBHEHRF-QWHCGFSZSA-N 318.381 -0.879 30 20 DBED Cc1cncc(CC(=O)N2CCN(CC(=O)NCC#N)CC2)c1 1113155130 JMSSZAWHNLGHAT-UHFFFAOYSA-N 315.377 -0.284 30 20 DBED N#CCSCC(=O)NC1[C@@H]2CN(CCN3CCNC3=O)C[C@@H]12 1113897714 ZLYMZWBQMPUUIE-GHMZBOCLSA-N 323.422 -0.685 30 20 DBED C[C@H](C#N)C(=O)NC1[C@@H]2CN(Cc3nc(N(C)C)no3)C[C@@H]12 1114064799 VNQSWMNJNUCVQX-OPRDCNLKSA-N 304.354 -0.158 30 20 DBED O=C(C#CC1CC1)N[C@H]1[C@@H]2CN(C[C@H](O)Cn3cccn3)C[C@@H]21 1114257598 CDPWFIOJJAOUAU-LJIGWXMPSA-N 314.389 -0.296 30 20 DBED C#CCOCCC(=O)NC1[C@@H]2CN(CC(=O)NC(C)(C)C)C[C@@H]12 1114265720 HTZLHOPNDFGDEM-CHWSQXEVSA-N 321.421 -0.013 30 20 DBED C#CCO[C@H](C)C(=O)NC1[C@H]2CN(CC(=O)N(CC)CC)C[C@H]12 1114271161 QJKKEVGJTOBOTH-RDBSUJKOSA-N 321.421 -0.061 30 20 DBED CNC(=O)CC(=O)N[C@H]1CN(c2ccc(C#N)nn2)CC1(C)C 1114444199 QPOMUWLVUYMCKE-NSHDSACASA-N 316.365 -0.185 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)[C@@H]3[C@H]4COC[C@H]43)[C@@H]2C1 1114714500 TZZSQBYVGNTWTF-GMDXDWKASA-N 319.405 -0.384 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)Cc3cnc[nH]3)[C@@H]2C1 1114888626 KZNVVEYDIUREBA-CYZMBNFOSA-N 315.377 -0.864 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)N[C@H]1[C@@H]2CN(CCO)C[C@@H]21 1115302753 UYWOYYMGJWNQQC-GDNZZTSVSA-N 310.398 -0.711 30 20 DBED C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N(CCO)CCO 1116700791 VYRJRFOUBDWZQV-LLVKDONJSA-N 321.333 -0.271 30 20 DBED N#CCCC[C@@H](N)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 1118190245 SVUKPECLCRRSHN-GFCCVEGCSA-N 316.365 -0.023 30 20 DBED C#CCOCCNC(=O)C(=O)NCCNc1ccc(C)cn1 1119730088 XKMBWPJFNMXPJS-UHFFFAOYSA-N 304.350 -0.316 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)CN2CCCC2=O)cn1 1121026147 WUXNQNKNWYKWTB-CYBMUJFWSA-N 317.349 -0.535 30 20 DBED N#Cc1cccnc1N[C@H](CO)CNC(=O)Cn1cncn1 1121536595 RILPKAINOUIXRK-NSHDSACASA-N 301.310 -0.866 30 20 DBED C=CCn1c(N2CCO[C@@H](C(=O)NC)C2)nnc1C1(O)CC1 1121638002 VDPBLZRBPJFENQ-SNVBAGLBSA-N 307.354 -0.603 30 20 DBED Cn1c(C(=O)NC[C@@H](CO)Nc2ccc(C#N)nc2)cnc1O 1122304242 OZMYEODIBDWISD-NSHDSACASA-N 316.321 -0.405 30 20 DBED Cc1cnn(C)c1C(=O)NC[C@H](CO)Nc1cncc(C#N)n1 1122342870 RXRWYWGOMOOWNY-LLVKDONJSA-N 315.337 -0.407 30 20 DBED CN(C)CC1(C(=O)NC[C@H](CO)N=c2cc[nH]c(C#N)n2)CC1 1122508974 VHBSKHKNMJRTMX-LLVKDONJSA-N 318.381 -0.999 30 20 DBED C=CCCC(=O)NCCNCC(=O)NC(=O)N[C@@H](C)COC 1124656287 OKODAOGDEIAZGW-NSHDSACASA-N 314.386 -0.481 30 20 DBED CNC(=O)CC(=O)N(C)C[C@@H](O)CN(C)c1ccc(C#N)cn1 1125069047 DGTHZQAXPJOLFL-LBPRGKRZSA-N 319.365 -0.655 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1ccc2c(c1)NC(=O)C2 1128062114 WVVWBMJQDYCNQZ-UHFFFAOYSA-N 316.361 -0.197 30 20 DBED C#CCCN[C@@H]1CN(C(=O)[C@H]2CCN(C)C2)C[C@@H]1n1ccnn1 1130123345 OECSNKZLOKLBKH-ZNMIVQPWSA-N 316.409 -0.405 30 20 DBED CO[C@H](C)CC(=O)NCc1nc([C@H]2COCCN2CC#N)n[nH]1 1130832286 VTLRMURQWBZCJA-GHMZBOCLSA-N 322.369 -0.257 30 20 DBED C#CCN[C@@H](C)C[C@H](C)NC(=O)CN(C)S(=O)(=O)N(C)C 1134353525 ZNPLPISPQNYONH-RYUDHWBXSA-N 318.443 -0.769 30 20 DBED C#CCOc1ncccc1C(=O)NCCN[C@H]1CCN(C)C1=O 1148309917 XPAMCUVCJNXQTA-ZDUSSCGKSA-N 316.361 -0.356 30 20 DBED CC[C@H](C)C(=O)NCC(=O)NC[C@H]1CN(CC#N)CCCO1 1150732183 ZDPSPNYSWJGUBU-STQMWFEESA-N 310.398 -0.121 30 20 DBED N#CCN1CCCO[C@H](CNC(=O)CCN2CCCC2=O)C1 1150736916 BCYZAMIYPXSMTL-CYBMUJFWSA-N 308.382 -0.270 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)CCC(=O)N(CC)CC 1151974395 XMSRPGFDPALJMO-ZDUSSCGKSA-N 324.425 -0.521 30 20 DBED CCN(CC#CCOC)[C@H](C)CNC(=O)[C@H]1CCCNC1=O 1153914476 NUJBVVBKPWIRCK-KGLIPLIRSA-N 309.410 -0.011 30 20 DBED C=CCNC(=O)NC(=O)CNCCCNC(=O)[C@H](C)OC 1155236304 OKDFFYWWKSNPOY-JTQLQIEISA-N 300.359 -0.871 30 20 DBED C=CCOCCCC(=O)NCCCNCc1nc(=O)n(C)[nH]1 1156159891 JQRHEUMCYIRMMJ-UHFFFAOYSA-N 311.386 -0.313 30 20 DBED C#CCNC(=O)CC(=O)NCCCNCc1cn(C(C)C)nn1 1156857268 KHNYUYDDHJPGNL-UHFFFAOYSA-N 320.397 -0.406 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1c(F)cncc1F 1158989775 VKKCFLNTDFYUOZ-UHFFFAOYSA-N 310.304 -0.181 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)c1c[nH]nc1CC 1161667285 MCSOJYQKMSFMGV-LLVKDONJSA-N 305.382 -0.181 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)c1ccc(C)nc1O 1167336678 QEEPYVWYSBQHMP-LBPRGKRZSA-N 318.377 -0.057 30 20 DBED C#CCOc1ncccc1C(=O)NCCCNC[C@@H](O)COC 1171549307 ZPNLBMKCMCIAIS-CYBMUJFWSA-N 321.377 -0.190 30 20 DBED CC(=O)NCC(=O)NCC(=O)N[C@H](C)CCCCNCC#N 1171562148 DCGFBOGQWDAXPE-LLVKDONJSA-N 311.386 -0.973 30 20 DBED C=CCNC(=O)CNCCCC[C@@H](C)NC(=O)[C@H]1C[C@H]1C(N)=O 1175286876 BZKJQKYBPQNIQI-UPJWGTAASA-N 324.425 -0.325 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)CNC(=O)CCC)C[C@H]21 1176943952 RWZHYSBEMSJMOV-KGLIPLIRSA-N 307.394 -0.162 30 20 DBED C#CCNC(=O)CNCCCCCCNC(=O)CC(=O)NC 1178290000 JCBPJQVGLJVMGP-UHFFFAOYSA-N 310.398 -0.862 30 20 DBED C#CCN[C@@H]1CCO[C@@H](C2CCN(C(=O)CNC(N)=O)CC2)C1 1186053791 ZGMPCSIJKFQMKP-ZIAGYGMSSA-N 322.409 -0.336 30 20 DBED COCC#CCN(C)[C@H]1CCN(C(=O)c2ccc(O)nn2)C1 1188726992 MRIJRHNZNLWPNW-LBPRGKRZSA-N 304.350 -0.022 30 20 DBED CCc1cc(C(=O)N2CC[C@@H](N(C)CC(=O)NCC#N)C2)n[nH]1 1189002530 HWOQYJASIQRHDF-GFCCVEGCSA-N 318.381 -0.242 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)CCC(=O)NCC)C1 1189312003 YZSHIAPNLLKALB-ZDUSSCGKSA-N 322.409 -0.815 30 20 DBED C#CCOCCC(=O)N1CC[C@H](N(C)[C@@H]2CCCNC2=O)C1 1190127890 GOVDLEAUZWQWMR-UONOGXRCSA-N 307.394 -0.162 30 20 DBED COCC#CCN(C)[C@@H]1CCN(C(=O)CN2CCOCC2=O)C1 1190684368 IFQNSOHCMUIXST-CQSZACIVSA-N 323.393 -0.972 30 20 DBED Cc1noc(CCCN2C[C@@H](O)[C@H](NC(=O)C#CC3CC3)C2)n1 1192770300 IVOBZJNKNNXIAR-ZIAGYGMSSA-N 318.377 -0.115 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2ocnc2C)C[C@H]1O 1192890770 CMYHZYYCVSTLRI-YNEHKIRRSA-N 307.350 -0.317 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2[nH]cnc2CC)C1 1193776236 FCBLUBLUWLLMHP-GFCCVEGCSA-N 317.393 -0.132 30 20 DBED CCO[C@H]1C[C@@H]1C(=O)N1CCCN(CC(=O)NCC#N)CC1 1195017019 OCEJMKVYOKDHJE-STQMWFEESA-N 308.382 -0.415 30 20 DBED C#CCO[C@H](C)C(=O)N1CCCN(Cc2cn(C)nn2)CC1 1195792129 OYQJWSCUQIRRMN-CYBMUJFWSA-N 305.382 -0.112 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)[C@@]23COC[C@@H]2C3)CC1 1195901306 YSLKQCRNHVIYBW-BBRMVZONSA-N 307.394 -0.141 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)[C@]2(C)CCNC2=O)CC1 1197141926 PJZIOXRTSCESPE-MRXNPFEDSA-N 322.409 -0.651 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)CN2CCOCC2)C1 1198699656 VTVWWHNRDZFKEG-RRFJBIMHSA-N 309.410 -0.861 30 20 DBED CNC(=O)[C@H](C)NC[C@H]1CN(C(=O)C#CC(C)C)CCCO1 1200470158 VIFDLDYIFFXOPO-KBPBESRZSA-N 309.410 -0.013 30 20 DBED CCn1nnc(C)c1C(=O)N1CCCO[C@@H](CNCC#N)C1 1200673027 JZNCFIXBMJAQOY-LBPRGKRZSA-N 306.370 -0.049 30 20 DBED C#CCCNC1CCN(C(=O)[C@H](C)NS(C)(=O)=O)CC1 1202667830 NNGBFRQFNAUGOD-NSHDSACASA-N 301.412 -0.472 30 20 DBED Cn1ncnc1COCC(=O)N[C@@H]1C[C@@H](NCC#N)C12CCC2 1203557493 NYTJNPUJEKESGV-VXGBXAGGSA-N 318.381 -0.128 30 20 DBED CCN1CCO[C@H](C(=O)N2CCC(NCC#CCOC)CC2)C1 1203797833 KFZQCWFVHOLYRA-INIZCTEOSA-N 323.437 -0.063 30 20 DBED C=CCNC(=O)CN[C@H]1C[C@H]2CC[C@H]1N(C(=O)c1nc[nH]n1)C2 1204804974 CZJVPUBCYMQGOY-GRYCIOLGSA-N 318.381 -0.310 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2c(C)ncn2C)[C@H](C)C1 1207637739 OVAHQWFNQVUXJC-DGCLKSJQSA-N 317.393 -0.472 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)CCN(C)CC)[C@H](C)C1 1210040252 DIHCRWVDPIBWRB-QLFBSQMISA-N 322.453 -0.097 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)c2ccon2)[C@H](OC)C1 1211939184 OVUWAFRGGFBTGE-VXGBXAGGSA-N 308.338 -0.594 30 20 DBED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)[C@H](C)C(C)C 1213511282 FDCPGEYPOYOABC-JHJVBQTASA-N 310.398 -0.266 30 20 DBED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)Cc1ccc[nH]1 1213893054 XZZIJGKIEMEKKF-CHWSQXEVSA-N 319.365 -0.988 30 20 DBED CC[C@@]1(C(=O)N2C[C@@H](NCC#CCOC)[C@H](C)C2)CCNC1=O 1214889947 RPBHWWGFICTWHG-CKEIUWERSA-N 321.421 -0.011 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@]2(F)CCOC2)C[C@H]1C 1215392936 HRPXLCILPPIYTK-JMSVASOKSA-N 313.373 -0.146 30 20 DBED CCN(CCC#N)C(=O)CN1C[C@H](O)[C@H](NC(=O)CC(C)C)C1 1219120954 HCKOWVCPZKKQIF-KGLIPLIRSA-N 324.425 -0.044 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN([C@@H](C)c2nnc(C)o2)C[C@@H]1O 1219611724 GMCJRVGZGQRJLH-UHTWSYAYSA-N 322.365 -0.360 30 20 DBED COCC#CCN1CC[C@@H]2CN(C(=O)Cc3nc[nH]n3)[C@@H]2C1 1221933618 IEDYMIGUGVTAON-CHWSQXEVSA-N 303.366 -0.470 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC(CNC(=O)CNC(C)=O)CC1 1222258073 NLCXXKKRYCCJJZ-GFCCVEGCSA-N 322.409 -0.911 30 20 DBED Cc1ccc(C(=O)NC2CCN(CC(=O)NCC#N)CC2)nn1 1227253249 XAZWUIYAJMKSJE-UHFFFAOYSA-N 316.365 -0.381 30 20 DBED N#CCN1CCS(=O)(=O)[C@@H](CCNC(=O)c2cccnc2)C1 1230410676 LQCJFFHGUPCEJP-ZDUSSCGKSA-N 322.390 -0.176 30 20 DBED C=C[C@@](C)(O)CC(=O)N(C)C[C@H]1CCN1CC(=O)NCC#N 1233977535 NPIKYHJPFNBPNU-IUODEOHRSA-N 308.382 -0.514 30 20 DBED CN(C[C@@H]1CCN1CC(=O)NCC#N)C(=O)CCc1ncc[nH]1 1234013100 SYHAHKIMIQBTPR-LBPRGKRZSA-N 318.381 -0.485 30 20 DBED C=CCSCCNC(=O)C(=O)N1CCO[C@@H](C(=O)OC)C1 1322107614 REYYSQASIIHWQC-SNVBAGLBSA-N 316.379 -0.578 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CC(=O)N[C@@H]2CCCC[C@H]21 1327249515 ZQCIUNHQCZPASR-IJLUTSLNSA-N 309.366 -0.427 30 20 DBED C=CCCn1cc(C(=O)Nc2nc(S(C)(=O)=O)n[nH]2)nn1 1328011162 WQSKJKDRKSBNEZ-UHFFFAOYSA-N 311.327 -0.372 30 20 DBED N#CC1CCN(C(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)CC1 1328028879 LAPAMEZQYXGQFH-KBPBESRZSA-N 320.393 -0.272 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N1C[C@@H]2[C@@H](C1)[C@H]1C=C[C@H]2O1 1329795684 ZHAHZTQANWFQBO-KBUPBQIOSA-N 318.373 -0.104 30 20 DBED C#CCSCC(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 1333733563 HALSJRVLQDBTAQ-JTQLQIEISA-N 318.420 -0.838 30 20 DBED C=CCS(=O)(=O)CCn1nnnc1N1CCO[C@@H](OC)C1 1334297414 KTQPCABBEXPTHE-SNVBAGLBSA-N 317.371 -0.917 30 20 DBED C=CCC1(O)CCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)CC1 1334355710 PGNWBFUSCPBJLL-UHFFFAOYSA-N 309.322 -0.663 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N[C@@H]1COCC[C@H]1OC 1334359865 JUWCARJJIVPALA-JHJVBQTASA-N 312.366 -0.549 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@@H]1COCC[C@H]1OC)[C@H]1CCCO1 1334906474 GGTIAPABBXYWRV-UMSGYPCISA-N 310.350 -0.797 30 20 DBED C=CCC1(O)CCN(c2nnnn2[C@@H]2CCN(C)C2=O)CC1 1335785678 SAMDGEVCMCIRDW-LLVKDONJSA-N 306.370 -0.016 30 20 DBED C=CCn1cc(Cn2nnnc2N2CCOC[C@@H](C)C2)nn1 1335938970 IIEKLSQZYZGLKY-NSHDSACASA-N 304.358 -0.028 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCO[C@@H](C(F)F)C1)[C@H]1CCCO1 1336149844 JVHJCBNSTULSFA-HBNTYKKESA-N 316.304 -0.224 30 20 DBED C#Cc1ccc(N2CCN(CC(=O)NCCOC)CC2)nc1 1336452478 BUWKTQASSPXGCI-UHFFFAOYSA-N 302.378 -0.053 30 20 DBED C[C@@H](CN1CCOCC1)NC(=O)C(=O)N1CCC[C@](C)(C#N)C1 1340480347 WWVGFKANDBHOOU-XJKSGUPXSA-N 322.409 -0.024 30 20 DBED C#CCN(CC#CC)c1nnc(CS(C)(=O)=O)n1CCOC 1343083398 HWSJFQHTTCBEEX-UHFFFAOYSA-N 324.406 -0.068 30 20 DBED Cn1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccccn2)c(O)nc1=O 1343292397 LLFOKOZJFWFMIP-MRVPVSSYSA-N 313.273 -0.158 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CC[C@@H](C2CC2)C1 1347198815 DOXDWMSJWSRLAW-GFCCVEGCSA-N 314.407 -0.038 30 20 DBED N#CCCCCNC(=O)C(=O)N1CC[C@@H]2NC(=O)CC[C@H]2C1 1347497853 GMAYMXTYDGYNDH-RYUDHWBXSA-N 306.366 -0.076 30 20 DBED C=CCn1c(C[C@@H](C)O)nnc1N1CC[C@@H]2OCC(=O)N[C@H]2C1 1351704639 MHYXBZQTLBZAQL-WOPDTQHZSA-N 321.381 -0.519 30 20 DBED C#CCn1ccc(CN(CC)C(=O)C(=O)N2C[C@@H]3C[C@H]2CN3)n1 1351982943 MPVAOJOPNRQUJA-KBPBESRZSA-N 315.377 -0.563 30 20 DBED N#Cc1cn[nH]c1NC(=O)c1cc(N2CCNC(=O)C2)ccn1 1363432196 AWYHGVNTCYNLAF-UHFFFAOYSA-N 311.305 -0.135 30 20 DBED C[C@H](C#N)Oc1ccccc1NC(=O)NC(CO)(CO)CO 1365775070 FCKRVCRDPHTIBC-SNVBAGLBSA-N 309.322 -0.185 30 20 DBED CCCN(CCNC(=O)c1ccc(=O)n(C)n1)C(=O)[C@@H](C)C#N 1374174560 KXIZCKPXNPADHR-NSHDSACASA-N 319.365 -0.092 30 20 DBED C[C@H](C#N)C(=O)NC1CN(C(=O)[C@@H]2CCc3nnnn3CC2)C1 1374750758 OXYMJBMGNAAJBP-NXEZZACHSA-N 317.353 -0.888 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1occ2c1CCOC2 1376652250 BRZHVJKRPKPVSZ-ONGXEEELSA-N 321.333 -0.281 30 20 DBED C[C@@H](CNC(=O)Cn1cnnn1)NCc1ccc(C#N)cc1F 1376685926 DRELKBGFXOBERJ-JTQLQIEISA-N 317.328 -0.022 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(CC(=O)Nc2ccccc2)C1 1380581618 OBNYUQUDKWOXRD-LBPRGKRZSA-N 316.361 -0.052 30 20 DBED CCNC(=O)NC(=O)[C@@H](C)N[C@H]1C[C@@H](CNC(=O)[C@H](C)C#N)C1 1388669043 BEQFZFNBHVCYDC-KKOKHZNYSA-N 323.397 -0.135 30 20 DBED N#Cc1cc(C(=O)NC[C@@H](O)CNC(=O)C2CCOCC2)c[nH]1 1391969144 QERRMVDMFPTTQJ-ZDUSSCGKSA-N 320.349 -0.480 30 20 DBED CNC(=O)NCC(=O)NC[C@H]1CCN1C(=O)c1cc(C#N)c[nH]1 1393354633 XOFIRWXPPADJKN-SNVBAGLBSA-N 318.337 -0.854 30 20 DBED CS(=O)(=O)N1CCC[C@H]1C(=O)NCc1ccnc(C#N)c1 1412915771 LHCZUSIAONTHFX-LBPRGKRZSA-N 308.363 -0.007 30 20 DBED Cn1cc(C(=O)NC[C@@H](O)CNCc2ccc(C#N)cc2)nn1 1422299197 BBRWJZUPHNWBLV-ZDUSSCGKSA-N 314.349 -0.433 30 20 DBED CCCN(C)CC(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1OC 1426624398 QGPOTAVRFHXAND-YNEHKIRRSA-N 310.398 -0.170 30 20 DBED C[C@@H](C#N)C(=O)NCC1CN(C(=O)[C@H]2CCc3nncn3C2)C1 1450714376 QEACBHITXUWKLU-JQWIXIFHSA-N 316.365 -0.425 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CN(C)C(=O)c1ccc(=O)n(C)c1 1451892765 RSORSWKNSLGFQH-JQWIXIFHSA-N 320.349 -0.906 30 20 DBED CN(CCNC(=O)CCc1cnn[nH]1)C(=O)c1c[nH]c(C#N)c1 1455469694 KUNDAXYSKNADPN-UHFFFAOYSA-N 315.337 -0.175 30 20 DBED CCCN(C)CC(=O)NC[C@@H](O)CNC(=O)c1cc(C#N)c[nH]1 1501480631 ZXRQKROIALGFFJ-GFCCVEGCSA-N 321.381 -0.565 30 20 DBED C[C@H]1CC(=NC(=O)c2nn(C)cc2CN2CC[C@@H](O)C2)NO1 1552720779 HIENOUGKYCKONY-GXSJLCMTSA-N 307.354 -0.161 30 20 DBED N#Cc1nc(NC(=O)CN2CCC[C@@H](C(=O)O)C2)[nH]c1C#N 1574249276 UZYLMLCOCXZDHU-MRVPVSSYSA-N 302.294 -0.112 30 20 DBED C[C@H](OCc1cnn[nH]1)C(=O)NC[C@H]1COCCN1CC#N 1575864808 YAFDCEMNZIQMOU-JQWIXIFHSA-N 308.342 -0.950 30 20 DBED CN(C(=O)NCCN/C(O)=C1/N=CC=CC1=O)C1[C@@H]2CNC[C@H]12 1578382706 DHKRDIHVPNHYSR-NMUZICPVSA-N 319.365 -0.628 30 20 DBED N#Cc1cccc(C(=O)NCC[C@@H]2CNCCS2(=O)=O)n1 1580073672 CSNJDZLFYMNTIR-LLVKDONJSA-N 308.363 -0.540 30 20 DBED C#CC1(O)CCN(S(=O)(=O)c2cncc(C(=O)O)c2)CC1 1588379282 BKLHEPNKDCOBFP-UHFFFAOYSA-N 310.331 -0.071 30 20 DBED C=C(CCC(=O)O)C(=O)N1C[C@@H](C(=O)OC)[C@@H](C(=O)OC)C1 1588612198 KVKSLPFMQXFFCK-AOOOYVTPSA-N 313.306 -0.172 30 20 DBED CN(CC#N)CCOCCNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 1591037515 MQGRANBVWOGTHM-UHFFFAOYSA-N 318.341 -0.603 30 20 DBED Cn1c(C(=O)N2CCO[C@@](C)(C#N)C2)ccc1-c1nn[nH]n1 1592548473 AJBDWRRTXAMXSI-ZDUSSCGKSA-N 301.310 -0.040 30 20 DBED N#Cc1cncn(CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)c1=O 1592703950 KICPGXICPJBHLC-UHFFFAOYSA-N 322.288 -0.066 30 20 DBED N#Cc1ccc(S(=O)(=O)N[C@@H]2CNC(=O)C2)c(C(=O)O)c1 1601112734 MPAZEBXJGJUQOU-QMMMGPOBSA-N 309.303 -0.577 30 20 DBED CN(C)CCN(CC(=O)O)S(=O)(=O)CC1(C#N)CCC1 1604067468 PVFBBHJXLOPVFO-UHFFFAOYSA-N 303.384 -0.042 30 20 DBED N#CCNC(=O)CNS(=O)(=O)Cc1cccc(C(=O)O)c1 1610622869 KXYXOGPNTSAAJK-UHFFFAOYSA-N 311.319 -0.556 30 20 DBED N#C[C@H]1CN(S(=O)(=O)N2CCc3ncncc3C2)CCO1 1647372066 RJCRLQDXRYHJLC-NSHDSACASA-N 309.351 -0.696 30 20 DBED C#CCNC(=O)CN1CCC(N(C)C(=O)[C@@H]2CCCO2)CC1 1752291217 DLKRRVDTOSITDM-AWEZNQCLSA-N 307.394 -0.162 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1C[C@H](NC(=O)[C@H]2CCN(C)C2)C1 1752682979 WMWRAKGNZCUUKK-XUXIUFHCSA-N 306.410 -0.687 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H](C)CNC(=O)Cc1[nH]cnc1C 1752913522 JIZKSNJGCUQFFF-CMPLNLGQSA-N 305.382 -0.507 30 20 DBED C[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3CC(=O)NCC#N)CCOC1 1753424924 FTBBLGLBYRQFMM-HUBLWGQQSA-N 306.366 -0.662 30 20 DBED C=CCOCCN1CC[C@H]2CN(C(=O)Cn3ncnn3)CC[C@H]21 1753872944 QATLCWGKDFJYKR-UONOGXRCSA-N 320.397 -0.202 30 20 DBED COCC#CCNC1(CNC(=O)C(C)(C)N2CCOCC2)CC1 1754529429 KRLOVQVAEQMTSQ-UHFFFAOYSA-N 323.437 -0.015 30 20 DBED C#CCNC(=O)[C@H](C)N1CC(N(C)C(=O)c2cccnc2)C1 1754568924 IAKDBLJULAROGT-LBPRGKRZSA-N 300.362 -0.024 30 20 DBED COCC#CCN1CC[C@](O)(CNC(=O)c2ccc(C#N)[nH]2)C1 1754748709 LOFUWALCHRZHFQ-INIZCTEOSA-N 316.361 -0.297 30 20 DBED CC#CCN1CC[C@](O)(CNC(=O)COCc2nccn2C)C1 1754754727 QMCCOPQUJVMSBO-INIZCTEOSA-N 320.393 -0.487 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCC1(O)CN(Cc2ncccn2)C1 1754774493 PEILUMSKXGJFNL-OLZOCXBDSA-N 318.377 -0.269 30 20 DBED CCn1ccc(CC(=O)N2CCC[C@@](CO)(NCC#N)C2)n1 1755082738 BDTWCEIVRKJMOL-OAHLLOKOSA-N 305.382 -0.088 30 20 DBED CC#CCN1CC(N2CCN(C(=O)C(C)(C)NC(C)=O)CC2)C1 1755145882 GGANIBYKAQLHPM-UHFFFAOYSA-N 320.437 -0.247 30 20 DBED Cc1cc(C(=O)N[C@@H](C)[C@H](C)NCC(=O)NCC#N)cnn1 1755234658 SFIVRTAZRGPYKA-QWRGUYRKSA-N 304.354 -0.479 30 20 DBED C[C@@H](NCC(=O)NCC#N)[C@@H](C)NC(=O)CCc1ccn(C)n1 1755238211 UUEAGTKPCQMJMG-VXGBXAGGSA-N 320.397 -0.525 30 20 DBED C#CCCNCC(C)(C)CN(C)C(=O)Cn1cnc(C(N)=O)n1 1755280547 KKDULTNSOAYCAV-UHFFFAOYSA-N 320.397 -0.526 30 20 DBED C#CCNCCCOCCNC(=O)[C@H]1CCc2nncn2C1 1755553565 LDJXZQZROYMMCU-ZDUSSCGKSA-N 305.382 -0.414 30 20 DBED C=CCOCC(=O)N1CC[C@@H](NCCN2CCNC2=O)[C@H]1C 1755651736 JKPXXWUFLDQHGO-CHWSQXEVSA-N 310.398 -0.207 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@H](O)CN(C)C(=O)c1nccs1 1755792815 ZLWOVXFPRLAFOH-QWRGUYRKSA-N 324.406 -0.697 30 20 DBED C=C(C)CCC(=O)N(C)C[C@H](O)CN(C)Cc1nnn(C)n1 1755801579 FJWZFGGSIMNBTR-GFCCVEGCSA-N 310.402 -0.183 30 20 DBED C=CCOCC(=O)N1CCO[C@@H]([C@H](C)NC(=O)COC)C1 1756215732 GQQPZLGCPITOIO-NWDGAFQWSA-N 300.355 -0.433 30 20 DBED C[C@H](C#N)C(=O)N(C)CCOCCNC(=O)C[C@H]1CCC(=O)N1 1756377394 VHCQRCFRRCFRNC-VXGBXAGGSA-N 324.381 -0.594 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H](C1CC1)N(C)C(=O)c1cnn[nH]1 1756415072 BYEVKERLTPUYKL-GWCFXTLKSA-N 319.365 -0.190 30 20 DBED C=CC(C)(C)C(=O)NC[C@H](CO)NC(=O)CCc1cnn(C)n1 1756540254 LASOZYVKRNPRSN-GFCCVEGCSA-N 323.397 -0.447 30 20 DBED C#CCCCC(=O)N[C@@H]1CCN(C(=O)CNC(=O)NC)[C@@H]1C 1756563926 ODFUKWTWKMDREZ-VXGBXAGGSA-N 308.382 -0.176 30 20 DBED NC(=O)NCCC(=O)NC[C@@H]1CC[C@H](NC(=O)C#CC2CC2)C1 1756641625 IYCNMHQBLDZSDC-OLZOCXBDSA-N 320.393 -0.141 30 20 DBED C=CCOCC(=O)N(CC)[C@H](C)CNC(=O)[C@H]1COCCO1 1756846872 BXOBZOWAPQBXHM-CHWSQXEVSA-N 314.382 -0.042 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@H]1C[C@@H](CNC(=O)Cn2cnnn2)C1 1757309052 DGSOCFKPTNHZMT-SDDRHHMPSA-N 322.369 -0.725 30 20 DBED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CNC(C)=O)C2 1781695589 KNGFGKQDTZJGMQ-CZUORRHYSA-N 321.377 -0.730 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(=O)oc1)CCO2 1783049526 CQBOKZBSVQRCDS-INIZCTEOSA-N 316.313 -0.284 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnsn1 1794383723 PKEZVEFITUONFY-BZBKMWRSSA-N 306.347 -0.626 30 20 DBED N#CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](N)CN)n[nH]1 1818012419 LDFAWJVNCKANHR-GXSJLCMTSA-N 319.369 -0.399 30 20 DBED C=C(CC(=O)OCC)C(=O)N1CC2(CCCN2C(=O)CN)C1 1842877721 BUFMPVACBOLWLZ-UHFFFAOYSA-N 309.366 -0.342 30 20 DBED C[C@H](S)C(=O)N1CCCC12CN(C(=O)C1=NNC(=O)C1)C2 1846369166 QEOAIVTYILTVPI-QMMMGPOBSA-N 310.379 -0.616 30 20 DBED C[C@@H]1CCCC[C@@]12NC(=O)N(C/C(O)=N/C1=NCC(=O)N1)C2=O 50222894 OSAJXGFXVDOIME-XLKFXECMSA-N 321.337 -0.071 30 20 DBED Cc1nc(C#N)c(N2CCN(C(=O)CN(C)C[C@@H](C)O)CC2)o1 156304375 IUDXRQVIOURZBD-LLVKDONJSA-N 321.381 -0.184 30 20 DBED CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C[C@H](C#N)CCC#N 161830113 GIMLHOMVSODFMF-NWDGAFQWSA-N 312.395 -0.335 30 20 DBED CN1CC[C@H](NC(=O)C(=O)Nc2ccc(F)c(C#N)c2)C1=O 172657651 ZDWQQMAMUMDTGX-NSHDSACASA-N 304.281 -0.017 30 20 DBED N#C[C@@H]1CN(C(=O)CN2CCN(c3ccccn3)CC2)CCO1 173162085 UGNCXTHCXRHMSD-CQSZACIVSA-N 315.377 -0.045 30 20 DBED COC[C@](C)(C#N)NC(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 269508705 CGFLHIURVQEPDZ-VMCRYPJNSA-N 317.345 -0.162 30 20 DBED COc1ncnc(N(C)C)c1NC(=O)C(=O)N(C)CCC#N 283291325 OGOVLHDMNIPGIL-UHFFFAOYSA-N 306.326 -0.138 30 20 DBED N#Cc1ccc(CNC(=O)NC[C@@H]2CC(C(N)=O)=NO2)cc1 284733317 RFHVAGCZPZRCGR-NSHDSACASA-N 301.306 -0.012 30 20 DBED C#CCNc1nc(N[C@@H](C=C)CO)nc(N[C@@H](C=C)CO)n1 291162907 QEOBGOUZKZWMCY-QWRGUYRKSA-N 304.354 -0.166 30 20 DBED C#CCN(C)C(=O)C(=O)N1CCN(c2nc(CC)ns2)CC1 298110888 VNOXTZGYCHWIHQ-UHFFFAOYSA-N 321.406 -0.159 30 20 DBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1C[C@@H](O)C1 298355861 LGHFNCJXCJTYMK-JLLWLGSASA-N 323.374 -0.135 30 20 DBED C[C@](O)(CN/C(O)=N/C[C@H]1CCN(S(C)(=O)=O)C1)C1CC1 328749983 RAKZQUMNSUFHCO-MFKMUULPSA-N 319.427 -0.068 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@H]1CCc2ncnn2C1 330396950 SCKZZAZLPUAVNU-QWRGUYRKSA-N 312.399 -0.091 30 20 DBED CC(C)CNC(=O)N1CCC[C@@H](C(=O)NCC(=O)NCC#N)C1 344162570 PZHBZKOBUUCTGN-GFCCVEGCSA-N 323.397 -0.180 30 20 DBED C[C@@H](C(=O)NCC(=O)NCC#N)N1C(=O)[C@H]2CCCC[C@H]2C1=O 344181210 RMAPEGNEQVLSRA-GARJFASQSA-N 320.349 -0.694 30 20 DBED CC(C)N(C)C[C@H](C)NS(=O)(=O)N1CCO[C@H](C#N)C1 349785918 WDMZDWLAKOIVRC-NWDGAFQWSA-N 304.416 -0.226 30 20 DBED C=CCN(CCOC)C(=O)C(=O)NCC1([S@](C)=O)CC1 350835197 VSDVAILADWQEQJ-FQEVSTJZSA-N 302.396 -0.325 30 20 DBED CNC(=O)NC(=O)Cn1cc(Br)cc(C#N)c1=O 351773836 NFBHMZQDCODQNX-UHFFFAOYSA-N 313.111 -0.062 30 20 DBED C=C[C@](C)(O)CC(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 354654802 DMEJTSRREZJRIZ-HNNXBMFYSA-N 323.397 -0.174 30 20 DBED COc1cccc(C)c1NC(=O)C(=O)NCC(=O)NCC#N 357288021 KVCZVJGEUKLXRU-UHFFFAOYSA-N 304.306 -0.302 30 20 DBED COC(=O)C[C@]1(NCC(=O)N(CCC#N)CCC#N)CCOC1 362270921 RKPSHUPJBWPABZ-OAHLLOKOSA-N 322.365 -0.046 30 20 DBED CC(C)C[C@H]1C(=O)NCCN1S(=O)(=O)N(C)CCC#N 408442927 MAGAMMRHGJNICN-NSHDSACASA-N 302.400 -0.077 30 20 DBED C#CCN1CCN(C(=O)Cn2ccn3c(=O)cc(C)nc23)CC1 491630784 NZKBLUIXNXGEFS-UHFFFAOYSA-N 313.361 -0.418 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2ccnc(C)c2)CC1 491784892 RIQRSMLDAGOXHS-UHFFFAOYSA-N 300.362 -0.103 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN(C)C[C@H]1CN 566905026 XKMNMMGZGJQDDI-MCIONIFRSA-N 324.425 -0.815 30 20 DBED CC(C)(C#N)CCS(=O)(=O)N1CC[C@H](S(N)(=O)=O)C1 576506630 VUAYVXPFPJZJGF-VIFPVBQESA-N 309.413 -0.381 30 20 DBED C=C[C@@H]1OCC[C@H]1NC(=O)N1CCN(CC(=O)NCC)CC1 583246849 GDWXGQAYLMIQRX-OLZOCXBDSA-N 310.398 -0.207 30 20 DBED CC1(C)CN(S(=O)(=O)CCCS(=O)(=O)NCC#N)C1 594637024 ROKQFYXAYBAXFD-UHFFFAOYSA-N 309.413 -0.509 30 20 DBED C[C@H]1CCCN(c2c(C#N)c(=O)n(C)c(=O)n2C)[C@H]1CCO 596440764 GMKBQEMECVRHLN-JQWIXIFHSA-N 306.366 -0.057 30 20 DBED COCCC1(CNC(=O)C(=O)N2CCN(CCC#N)CC2)CC1 602264795 AIDHSMZQFGETEI-UHFFFAOYSA-N 322.409 -0.023 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@]2(N)CC2(F)F)CC1 638060032 YHHWIYQATXQHPX-GFCCVEGCSA-N 302.325 -0.831 30 20 DBED C=CCNC(=O)CN1CCc2c(cccc2S(N)(=O)=O)C1 640159021 BBSHPJOYTAURRA-UHFFFAOYSA-N 309.391 -0.006 30 20 DBED CC#CCNCc1cn(CC(=O)N(C)CC(=O)NCCC)nn1 640855587 YCEWQYKUNRYZAL-UHFFFAOYSA-N 320.397 -0.624 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCS[C@H]2C)C1=O 648684536 BMXHVKNBAIWNNB-IUCAKERBSA-N 311.363 -0.027 30 20 DBED C=CCn1cc(C(=O)NCCCN(C)S(=O)(=O)CC)nn1 648733732 FYGGKDWVMSHJEB-UHFFFAOYSA-N 315.399 -0.135 30 20 DBED C#CCCOC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 727041766 ZOXFDXVGJULNEE-SNVBAGLBSA-N 312.347 -0.282 30 20 DBED C#CCOCCNC(=O)Nc1ccn(CCN2CCOCC2)n1 752642230 XMAUHPUHWVTKPC-UHFFFAOYSA-N 321.381 -0.013 30 20 DBED C#CCCc1noc(Cn2c(=O)c3c(ncn3C)n(C)c2=O)n1 762000343 BMSFVXUVVLEYIF-UHFFFAOYSA-N 314.305 -0.569 30 20 DBED COCC#CCOC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C 762784078 JMDMLGWTZPKLRH-UHFFFAOYSA-N 317.301 -0.561 30 20 DBED CN1C(=O)C[C@H](NC(=O)C#Cc2ccc3c(c2)OCO3)C1=O 773656803 DZZHXXJICFQWLF-JTQLQIEISA-N 300.270 -0.360 30 20 DBED CN1CCC2(CC1)NC(=O)N(CN1CCSC[C@@H]1C#N)C2=O 774642464 IXXNPEFROCOPDG-NSHDSACASA-N 323.422 -0.099 30 20 DBED C#C[C@H](NC(=O)NCCC(=O)N1CCN(C)CC1)[C@@H]1CCCO1 776115338 OZLKRGXUIQTMTJ-KBPBESRZSA-N 322.409 -0.370 30 20 DBED C#CCOCCNS(=O)(=O)N1CCC[C@H]1C(=O)OCC 784457354 HWQLCNKQJMMKDU-NSHDSACASA-N 304.368 -0.502 30 20 DBED Cc1ncc(S(=O)(=O)NC[C@@H]2CC(C(N)=O)=NO2)cc1C#N 813694727 YZMJINPYBASULH-VIFPVBQESA-N 323.334 -0.830 30 20 DBED C=CCCn1cc(C(=O)NCCC(=O)NS(C)(=O)=O)nn1 819510714 YCACPMGKUCJHEP-UHFFFAOYSA-N 315.355 -0.950 30 20 DBED C#CC[C@H](CO)NC(=O)CCn1nc(O)c2ccccc2c1=O 820059687 KSWXNYYHNIXBKH-LLVKDONJSA-N 315.329 -0.007 30 20 DBED O=C(N[C@@H]1CCCN(O)C1=O)c1cnc2n(c1=O)CCS2 820470776 FVLBJAVWQSABLZ-MRVPVSSYSA-N 310.335 -0.541 30 20 DBED NC(=O)COc1ccccc1C(=O)N[C@@H]1CCCN(O)C1=O 820482658 PPXDIHNNNVAXNE-SNVBAGLBSA-N 307.306 -0.339 30 20 DBED C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)NC(C)(CO)CO 821571656 ZEPHCGANGRZNBK-JTQLQIEISA-N 321.333 -0.225 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)NCC1([S@](C)=O)CC1 829546042 BLLMCTULHUYYDY-NRFANRHFSA-N 314.407 -0.488 30 20 DBED CC#CC[C@H](CO)NC(=O)[C@H](O)[C@@H](O)c1nc2ccccc2[nH]1 844113748 WUMLIUXSEYEGHA-LERXQTSPSA-N 317.345 -0.152 30 20 DBED C/N=C(/NCCOC[C@@H]1CCOC1)NCCN1CCOCC1 849006714 KFFGHCITKDVTRF-CQSZACIVSA-N 314.430 -0.463 30 20 DBED N#CCCN1CCN(C(=O)C(=O)NCCc2cccnc2)CC1 875028855 GDJMUEKROQSROO-UHFFFAOYSA-N 315.377 -0.202 30 20 DBED C#CC1(O)CN(C(=O)NCc2ccc(OCCO)c(OC)c2)C1 892134069 AKLOYQLJRQLXEC-UHFFFAOYSA-N 320.345 -0.044 30 20 DBED C#CCOc1ccc(NC(=O)C(=O)NCCN(C)CCO)cc1 892218288 JOQTUXYNEAKZMO-UHFFFAOYSA-N 319.361 -0.323 30 20 DBED CC1(C)CCN(CCNS(=O)(=O)N2CCO[C@@H](C#N)C2)C1 908082468 DZMDAXOKGUUGQS-LBPRGKRZSA-N 316.427 -0.223 30 20 DBED C#CC[C@@H](NC(=O)CN1CCC[C@H](C(=O)OCC)C1)C(=O)OC 909889689 MDPYAVOXLZZFPM-QWHCGFSZSA-N 324.377 -0.057 30 20 DBED C=C1CC(C)(C(=O)N2CC[C@H](NC(=O)Cn3ncnn3)C2)C1 938000520 DGMZLQWDSWKDGD-NSHDSACASA-N 304.354 -0.254 30 20 DBED C#CCCN1CC[C@H](NC(=O)CN2CCN(C)C(=O)C2)[C@@H](C)C1 942199558 DUJFHNDUCZTCTE-GJZGRUSLSA-N 320.437 -0.390 30 20 DBED C[C@H](C#N)C(=O)N1CCC(O)(CN[C@H]2CCCN(C)C2=O)CC1 946918467 KQDNZFUEKSVSPQ-OLZOCXBDSA-N 322.409 -0.290 30 20 DBED N#CCN1CCC2(CC1)CN(C(=O)Cc1nc[nH]n1)CCO2 949226438 IDEYTHDSYPLERN-UHFFFAOYSA-N 304.354 -0.436 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1cnnn1 952491996 NTQFUXKISMQRHC-UTUOFQBUSA-N 317.353 -0.575 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@]2(CCN(C(=O)Cn3nccn3)C2)C1 953174131 GJQCJMICTKRQNI-DOMZBBRYSA-N 316.365 -0.111 30 20 DBED C=CCCN1C[C@H](CNC(=O)c2cn(CCOC)nn2)[C@@H](O)C1 958061421 BHBCLFWYDVMSNS-JSGCOSHPSA-N 323.397 -0.477 30 20 DBED C[C@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 966681326 HPXWVWILIWGQEQ-GZMMTYOYSA-N 313.321 -0.105 30 20 DBED C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 968374003 KGWZCKRUDAUKKV-YPMHNXCESA-N 320.393 -0.290 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnn(C)c1N 968880694 XHAASHCQIKRXHV-MXWKQRLJSA-N 316.365 -0.023 30 20 DBED C#CCN(C)[C@H]1CCN(C(=O)Cn2ncn3nccc3c2=O)C1 972471611 GLZGLTDWDUVXDD-LBPRGKRZSA-N 314.349 -0.943 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H](CNC(=O)c2cnnn2C)C1 975235786 JCWHEJADKGLQKR-GHMZBOCLSA-N 304.354 -0.057 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H]2[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)[C@H]2C1 977206215 JAIJWZVIKLROCW-LVEVGFFFSA-N 305.378 -0.107 30 20 DBED C#CCN1C[C@H]2C[C@@H](NC(=O)C3CC(=O)NC(=O)C3)CC[C@H]2C1 980183291 KKXBWXQRJQYWRN-YUTCNCBUSA-N 317.389 -0.111 30 20 DBED C[C@@H]1CN(C(=O)CN2CCCN(C(=O)[C@H](C)C#N)CC2)CCO1 980850361 STROSIUNQDSCNS-ZIAGYGMSSA-N 322.409 -0.072 30 20 DBED C=CCN1CC[C@@H](N2CCCN(C(=O)c3nc[nH]n3)CC2)C1=O 982271372 NSJXAIDOCQTZJC-GFCCVEGCSA-N 318.381 -0.261 30 20 DBED C=CCn1cc(C(=O)N2CC(NC(=O)Cn3cccn3)C2)nn1 990240853 DAYYZYQACMSCQS-UHFFFAOYSA-N 315.337 -0.699 30 20 DBED O=C(Cc1cnoc1)N[C@@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1O 991699420 UCOPKUXEUQOEFM-KGLIPLIRSA-N 317.345 -0.292 30 20 DBED C#CCCN1CCC[C@@H](NC(=O)c2nnc(O)nc2O)[C@@H]1C 993554930 WCFSHFIELALEHO-VHSXEESVSA-N 305.338 -0.111 30 20 DBED Cc1nonc1CC(=O)NC1CN(C(=O)c2cc(C#N)c[nH]2)C1 998906676 JIIVTOKLPPQQTJ-UHFFFAOYSA-N 314.305 -0.239 30 20 DBED N#CCN[C@@H]1CCCN(C(=O)c2ccc(-n3cnnn3)cn2)C1 999796063 JTWGNAWZFSYSNH-LLVKDONJSA-N 312.337 -0.225 30 20 DBED CN(C[C@@H]1CCCN1C(=O)C#CC1CC1)C(=O)c1nnn(C)n1 1002488606 NXWNNQTZOPXMAT-LBPRGKRZSA-N 316.365 -0.314 30 20 DBED CC[C@]1(C(=O)N2CCN(C(=O)[C@@H](C)C#N)CC2)CCNC1=O 1011317552 CMJMLUYTSQGDMN-NHYWBVRUSA-N 306.366 -0.267 30 20 DBED C#CCOc1ncccc1C(=O)N[C@H]1CCN([C@H](C)C(N)=O)C1 1016012520 DMFTUVHVHOZLFJ-NEPJUHHUSA-N 316.361 -0.229 30 20 DBED N#CCN1CCC2(CC1)C[C@@H]2NC(=O)Cn1c(O)nnc1O 1016948505 SULGLSRSZNAMDF-VIFPVBQESA-N 306.326 -0.816 30 20 DBED C#CCCN1C[C@@H]2CC[C@H](C1)N2C(=O)c1nccnc1C(N)=O 1018250118 XFIQMFBETCXIRX-TXEJJXNPSA-N 313.361 -0.112 30 20 DBED C=CCN1CC[C@@H](N[C@H]2CCN(C(=O)C3(C(N)=O)CC3)C2)C1=O 1019318181 OAOSWRNUFHWAMB-NWDGAFQWSA-N 320.393 -0.771 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCN(C(=O)[C@@H]3CCC(=O)N3C)C2)C1 1019364917 PEIFNXKOUMBEEK-RYUDHWBXSA-N 318.377 -0.172 30 20 DBED C=CCN1CC[C@@H](N[C@H]2C[C@H](NC(=O)c3cnn[nH]3)C2)C1=O 1020343583 WVSMCUYLHJVTQR-GMTAPVOTSA-N 304.354 -0.558 30 20 DBED CO[C@H](C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 1023327693 RKMZXRXRRKARQO-GGZOMVNGSA-N 306.322 -0.777 30 20 DBED C#CCN1CCCC[C@@H]1CNC(=O)[C@H]1COCCN1C(C)=O 1024806547 JRNJVEUFSXQEJD-HUUCEWRRSA-N 307.394 -0.162 30 20 DBED C#CCN1CCC(C(=O)N2CCC[C@@H](N(C)CC(N)=O)C2)CC1 1027693837 KIPMEOCADVWVNL-OAHLLOKOSA-N 320.437 -0.260 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)[C@]3(C)CNC(=O)C3)C2)C1=O 1030729157 PGSKFXURPKZCGE-LRDDRELGSA-N 320.393 -0.900 30 20 DBED CC#CCN1CC(CNC(=O)[C@]23C[C@H]4C[C@H](C(=O)N2)[C@H]3C4)C1 1031795747 WKRKNBPWWCWGQU-HVOFVXBASA-N 301.390 -0.028 30 20 DBED Cc1nnc2n1C[C@H](C(=O)N1C[C@@H]3C[C@H]1CN3CC#N)CC2 1032799469 YUKKCPQBFSHJJV-AGIUHOORSA-N 300.366 -0.042 30 20 DBED C=CCCN1CC[C@@H](N(C)C(=O)Cn2cnc(C(N)=O)n2)C1 1033095819 GDBGFYFHEAWSML-LLVKDONJSA-N 306.370 -0.514 30 20 DBED CC#CCN1CC[C@H](N(CC)C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 1033971650 JSSRXXPRXAXPJS-RYUDHWBXSA-N 306.366 -0.469 30 20 DBED C#CCN1CC[C@H](N(CC)C(=O)[C@@H]2CN(C(C)=O)CCO2)C1 1034029605 SOVAHLGYZLMYBM-GJZGRUSLSA-N 307.394 -0.210 30 20 DBED C#CCCN1CCO[C@H](CNC(=O)c2cccn3nnnc23)C1 1035387421 NKRHEGYIPUTJQF-GFCCVEGCSA-N 314.349 -0.422 30 20 DBED CC#CCN1CCO[C@H](CNC(=O)c2ccc(C(N)=O)[nH]2)C1 1035511339 QEHNNOMYPJJDJE-LLVKDONJSA-N 304.350 -0.433 30 20 DBED CCC(=O)N1CC[C@H](C(=O)NC[C@@H]2CN(CC#N)CCO2)C1 1035570915 UBJUIESGFMCVFL-QWHCGFSZSA-N 308.382 -0.415 30 20 DBED N#CCN1CCO[C@H](CNC(=O)[C@H]2CCc3n[nH]cc3C2)C1 1035575366 ZDJSDGCGICWICP-WCQYABFASA-N 303.366 -0.145 30 20 DBED C#CCCN1CCO[C@@H](CNC(=O)[C@H]2CCCC(=O)N2C)C1 1035596163 OYWWWIHHKDWPEM-UONOGXRCSA-N 307.394 -0.162 30 20 DBED C[C@H]1CN(C(=O)CCn2cc[nH]c(=O)c2=O)CC[C@H]1NCC#N 1036216511 CWVVJKAFSQBAQN-NWDGAFQWSA-N 319.365 -0.723 30 20 DBED CN1CC(=O)N(CC(=O)N2CC[C@H]3[C@H](CCN3CC#N)C2)C1=O 1036887995 BABKFBUPQQFSHM-NEPJUHHUSA-N 319.365 -0.673 30 20 DBED C=CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)c1cn(C)c(=O)n(C)c1=O 1037604656 DSZYMDVPASDPGI-USWWRNFRSA-N 304.350 -0.928 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@]1(O)CCN(C(=O)c2cn[nH]c2)C1 1039576269 ONWLUPKRYRGDMB-GJZGRUSLSA-N 322.365 -0.570 30 20 DBED Cc1c[nH]nc1C(=O)N1CC[C@](O)(CNC(=O)C#CC2CC2)C1 1039680273 BZEDCVGVKQIXLY-INIZCTEOSA-N 316.361 -0.175 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@]1(O)CCN(C(=O)CSC)C1 1039720647 CRUQWVUWPVEBAR-SMDDNHRTSA-N 314.407 -0.533 30 20 DBED CN1CC[C@H](C(=O)NC[C@@]2(O)CCN(C(=O)C#CC3CC3)C2)C1 1039760470 NDFHTVWSYVUTJL-YOEHRIQHSA-N 319.405 -0.569 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)C23CCN(CC2)C3)C1 1040356343 HOKDYOCFCOLMSO-WBMJQRKESA-N 320.393 -0.679 30 20 DBED C#CCCCC(=O)N1CC[C@](O)(CNC(=O)[C@H]2CCCN2C)C1 1040494203 BYVATZHCEZTQLF-PBHICJAKSA-N 321.421 -0.036 30 20 DBED C#CCCN1CC[C@@H]2CCN(C(=O)c3nnc(O)nc3O)C[C@@H]21 1042135465 WAMQQSBWCNYWEV-MNOVXSKESA-N 317.349 -0.158 30 20 DBED C=CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)C#CC(C)C)C1 1042943903 ZPIVPTBJGZKEGR-CYBMUJFWSA-N 308.378 -0.074 30 20 DBED C=CCn1cc(C(=O)NCC2(O)CN(C(=O)CC(C)C)C2)nn1 1043104807 CSVRYOUTGFVAOY-UHFFFAOYSA-N 321.381 -0.187 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)c2cnn(CCF)c2)C1 1043746906 VKTDNJAEDXETRF-SNVBAGLBSA-N 323.328 -0.685 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)c2cnc(C)n2C)C1 1045152798 SDTMYMGTZGHLFZ-UHFFFAOYSA-N 322.365 -0.766 30 20 DBED Cc1ccc(C(=O)N2CC(O)(CNC(=O)[C@H](C)C#N)C2)nn1 1045540356 GMGHGXRQHXKJGF-SECBINFHSA-N 303.322 -0.752 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)[C@@H]2CCCCN2C)C1 1045565451 XPVYKEYYMMRVBN-NEPJUHHUSA-N 308.382 -0.680 30 20 DBED N#CCSCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(N)=O)C2 1047340781 KXAOQEWVKAZKGN-AEJSXWLSSA-N 310.379 -0.776 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cn2ccnc2)C1 1049030896 KJLQLKZCPVTIJW-STQMWFEESA-N 306.366 -0.121 30 20 DBED C=CCN1CCOC[C@H]1CNC(=O)[C@@H]1CCCN(C(N)=O)C1 1051017551 SGMFQRWCJBVUGE-CHWSQXEVSA-N 310.398 -0.220 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)[C@H]1CCNC(=O)C1)CCO2 1053218608 KWYOPQMFGXTZFY-ZDUSSCGKSA-N 305.378 -0.551 30 20 DBED CCN1C[C@H](C(=O)NC[C@H]2CCC3(CN(CC#N)C3)O2)CC1=O 1053605898 DBZZHRPYRZQCIL-CHWSQXEVSA-N 320.393 -0.272 30 20 DBED C=CCCN1CC2(C[C@H](NC(=O)Cn3cnnc3O)CO2)C1 1053782445 PYKGYGPRROJHLA-NSHDSACASA-N 307.354 -0.481 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)[C@H]3COCCN3CC)CO2)C1 1053853307 BUMQBPIFSXUOJR-LSDHHAIUSA-N 321.421 -0.310 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)[C@@H]3CCc4c[nH]nc4C3)CO2)C1 1054014200 JOYKJXJSHORLQN-DGCLKSJQSA-N 315.377 -0.002 30 20 DBED C[C@H](C#N)C(=O)N[C@@]1(CO)CCCN(C(=O)Cc2cnc[nH]2)C1 1056097846 WIXCCWDKFANHTK-ABAIWWIYSA-N 319.365 -0.418 30 20 DBED CCc1nc(C#N)cc(N[C@@H]2CCN(C(=O)CC(N)=O)C2)n1 1056594793 UOEJJQWLVPIVRH-SECBINFHSA-N 302.338 -0.201 30 20 DBED C=CCO[C@H](C)C(=O)N1CCC[C@H]2CN(C(=O)C(N)=O)C[C@H]21 1056681410 IKDWJRCRLOBPPS-GRYCIOLGSA-N 309.366 -0.488 30 20 DBED Cc1cc(C#N)nc(N[C@@H]2CCN(C(=O)Cn3nccn3)C2)n1 1056712570 IGDAHXNIASYXOD-LLVKDONJSA-N 312.337 -0.039 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCN(CCO)C(=O)CCC 1056805887 NVWRZJNMUYDQRZ-AWEZNQCLSA-N 309.410 -0.179 30 20 DBED N#Cc1nccnc1N1CCCN(C(=O)Cn2cnnn2)CC1 1057093239 WQDKFGMMKCNYNH-UHFFFAOYSA-N 313.325 -0.926 30 20 DBED C#Cc1ccc(C(=O)NCCN(CCO)C(=O)[C@@H](C)OC)cn1 1057108618 DBLRDRKQOHMYTJ-GFCCVEGCSA-N 319.361 -0.352 30 20 DBED N#Cc1nccnc1N1CCCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1 1057235786 HPBXXZCJPVRBTA-MNOVXSKESA-N 314.349 -0.492 30 20 DBED C=C[C@@](C)(O)CC(=O)N(CCO)CCNC(=O)[C@H](C)OCC 1057449484 DAGJOTMJKSODRQ-SWLSCSKDSA-N 316.398 -0.324 30 20 DBED N#CCSCC(=O)NCCN(CCO)C(=O)c1ncc[nH]1 1057519184 LCBCZOGTLVBMEY-UHFFFAOYSA-N 311.367 -0.783 30 20 DBED C=CCCOCC(=O)N(CCO)CCNC(=O)COC(C)C 1057919418 ZXEYMQGEUHBPNH-UHFFFAOYSA-N 316.398 -0.059 30 20 DBED N#Cc1nccnc1N1CC[C@H](NC(=O)C[C@H]2COC(=O)C2)C1 1058339530 UWFZKVYJIUWHDN-MNOVXSKESA-N 315.333 -0.004 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1CCN(C(=O)[C@@H]2CCC(=O)NC2)C1 1059114424 SIDHMMLPTTXJDX-YPMHNXCESA-N 313.361 -0.086 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1C[C@@H](NC(=O)Cn2cnnc2O)C1 1059595181 TXMXQINNPUSYIN-PHIMTYICSA-N 313.321 -0.568 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](CCNC(=O)Cn2nccn2)C1 1060286052 ILVARXLIRAQHRE-NWDGAFQWSA-N 304.354 -0.207 30 20 DBED O=C(Cn1cncn1)NC[C@H]1COCCN1C(=O)C#CC1CC1 1061918126 WLMFCCLZGPFURF-ZDUSSCGKSA-N 317.349 -0.965 30 20 DBED CN(C(=O)c1ncn(C)n1)[C@@H]1CCN(c2ccnc(C#N)n2)C1 1062926839 NXLMBLXCEJVJLC-SNVBAGLBSA-N 312.337 -0.172 30 20 DBED C#CCO[C@H](C)C(=O)NC1(CNC(=O)c2cnn[nH]2)CCC1 1063585025 FVNPMINFOHEXDM-SNVBAGLBSA-N 305.338 -0.388 30 20 DBED C=CCCC(=O)N1CCO[C@@H](CNC(=O)[C@H]2CCCNC2=O)C1 1064960445 XFAVTNZQJABPFC-STQMWFEESA-N 323.393 -0.178 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)[C@H]2CN(C)C(=O)N2)CCO1 1065420946 PJJAELHEYLCBCC-NWDGAFQWSA-N 324.381 -0.680 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@H](CNC(=O)C(C)(C)C(N)=O)C1 1065557918 WVSMWHUAMSWSDA-VHSXEESVSA-N 310.354 -0.999 30 20 DBED C[C@H](N=c1cc[nH]c(C#N)n1)[C@H]1CCN(C(=O)c2nc[nH]n2)C1 1065730209 ZSIUIKDAGQBFAC-UWVGGRQHSA-N 312.337 -0.149 30 20 DBED O=C(C#CC1CC1)N[C@H]1CCCN(C(=O)Cn2cnnn2)CC1 1066150217 BCMURBROCDIMFM-ZDUSSCGKSA-N 316.365 -0.416 30 20 DBED N#Cc1cncc(N2CCOC[C@H]2CNC(=O)[C@H]2CCOC2)n1 1066470087 KJPGKPLUNBCPQF-WCQYABFASA-N 317.349 -0.294 30 20 DBED C[C@H](C#N)C(=O)N(C)CCCN(C)C(=O)Cn1cnnc1O 1067243788 ZNEKIILIKUJMOX-SNVBAGLBSA-N 308.342 -0.550 30 20 DBED CN(CCCN(C)C(=O)Cn1cncn1)C(=O)C#CC1CC1 1067378230 VBYRZAFTAGPTDF-UHFFFAOYSA-N 303.366 -0.002 30 20 DBED N#Cc1cncc(N2C[C@@H](O)[C@@H](CNC(=O)c3ccncc3)C2)n1 1067642339 BUMLWYRUNFIAMQ-GXTWGEPZSA-N 324.344 -0.030 30 20 DBED N#Cc1nccc(N2C[C@H](O)[C@H](CNC(=O)c3cc[nH]n3)C2)n1 1067651475 MESNGGNIZLGEOO-KOLCDFICSA-N 313.321 -0.702 30 20 DBED N#Cc1cccnc1N1C[C@@H](O)[C@H](CNC(=O)c2nc[nH]n2)C1 1067676192 NXAMDWBXWVDRMI-GHMZBOCLSA-N 313.321 -0.702 30 20 DBED C=CCCC(=O)N[C@H]1COC2(C1)CN(C(=O)[C@@H]1CNC(=O)N1)C2 1068757209 OUNCRMKEGCIZJB-MNOVXSKESA-N 322.365 -0.880 30 20 DBED CN1CC[C@@H](CC(=O)N[C@@H]2CN(CC#N)C[C@@H]2n2ccnn2)C1 1070076796 USUUUSCUPVGTAM-MJBXVCDLSA-N 317.397 -0.515 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](n2ccnn2)[C@H](NCCO)C1 1070278043 MFMKOAOWPDLPGD-MQYQWHSLSA-N 321.381 -0.797 30 20 DBED C#CCN[C@@H]1CN(C(=O)Cc2cscn2)C[C@@H]1n1ccnn1 1070289671 PNYJDLFNIRIBMT-OLZOCXBDSA-N 316.390 -0.048 30 20 DBED Cn1cnc([C@@H]2CN(C(=O)c3cnsn3)C[C@H]2NCC#N)c1 1070471438 NHPYVWCHBUTSIB-JOYOIKCWSA-N 317.378 -0.007 30 20 DBED C=CCCO[C@H](C)C(=O)N[C@@H]1CCCN(C(=O)CC(N)=O)C1 1070574577 ZUDFWAVRFKCGNS-VXGBXAGGSA-N 311.382 -0.050 30 20 DBED CC[C@@H]1OCC[C@H]1C(=O)N1CCC(=O)NCCN(CC#N)CC1 1070982906 SPERQQAVAPXIGT-KGLIPLIRSA-N 322.409 -0.024 30 20 DBED C=CCOCC(=O)N1C[C@H](C)[C@H](NC(=O)c2cnc(O)n2C)C1 1071804994 JIQFOADCOYCRES-WDEREUQCSA-N 322.365 -0.095 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H](C)[C@H](NC(=O)c2ccon2)C1 1071935671 FQQYPAMORWBEAY-CMPLNLGQSA-N 318.333 -0.609 30 20 DBED C[C@H]1CN(C(=O)Cn2cnnc2O)C[C@@H]1NC(=O)C#CC1CC1 1071942461 HSQYEFOZJFXRGI-JQWIXIFHSA-N 317.349 -0.640 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)[C@@H]2CC(=O)N(CC)C2)C1 1073630458 VULJESUNNXPLKJ-KGLIPLIRSA-N 307.394 -0.305 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(C(=O)c2nc[nH]n2)C[C@H]1C 1073819860 KRDGKWJPUHNELA-MNOVXSKESA-N 307.354 -0.026 30 20 DBED CC#CCN1CCO[C@@H]2CCN(C(=O)c3c[nH]c(=O)cn3)C[C@@H]21 1074323916 GZNMORMTPJLFPB-UONOGXRCSA-N 316.361 -0.292 30 20 DBED C#CCOCCC(=O)NCC1(O)CCN(C(=O)[C@H](C)C#N)CC1 1074707382 ZBENQUJIAURTPD-CYBMUJFWSA-N 321.377 -0.344 30 20 DBED C[C@@H](CCNC(=O)C#CC1CC1)NC(=O)c1nnc(O)nc1O 1076423999 ATADFYSQTGQBDS-QMMMGPOBSA-N 319.321 -0.679 30 20 DBED C=C(C)CCC(=O)NCC[C@H](C)NC(=O)CN1C(=O)CNC1=O 1076797569 PEGHASBADWMAFN-NSHDSACASA-N 324.381 -0.095 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 1077682653 DEKDZFASTHBGAL-IRCOFANPSA-N 315.801 -0.376 30 20 DBED CCC[C@@H](NC(N)=O)C(=O)N[C@@H](C)CCNC(=O)[C@H](C)C#N 1078132526 WZJFLSLKXLEVDS-OUAUKWLOSA-N 311.386 -0.006 30 20 DBED C#CCN[C@@H]1C[C@H](NC(=O)Cn2c(O)nnc2O)C12CCC2 1078793851 BPTPLMSCYVDKRN-ZJUUUORDSA-N 305.338 -0.661 30 20 DBED C#CCN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)c1cc(=O)n(C)cn1)C2 1078971475 ZUQOURIRWWKILP-YRGRVCCFSA-N 300.362 -0.004 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(N(CC)C(=O)c2ncn(C)n2)C1 1079716790 ICITUTRNSLLGSQ-OAHLLOKOSA-N 321.381 -0.185 30 20 DBED C#CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)[C@@H]2COC(=O)N2)C1 1079775051 RKQRZLKUIFGPNA-PWSUYJOCSA-N 323.349 -0.808 30 20 DBED C#CCCCCC(=O)N1CC(N(CC)C(=O)[C@@H]2CNC(=O)N2)C1 1080385219 KSZZVNHUZNIXLR-ZDUSSCGKSA-N 320.393 -0.079 30 20 DBED C#CCNC(=O)CC(=O)N1CCC(CO)(NC(=O)CCC)CC1 1080677961 OICLXURRLYMUDN-UHFFFAOYSA-N 323.393 -0.604 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CO)(NC(=O)[C@H](C)CC(N)=O)CC1 1080932326 HSMRZDAXJZIDOI-GHMZBOCLSA-N 324.381 -0.873 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2cnc(C)[nH]2)C[C@@H]1O 1081346402 HVFKACIVGWIOIZ-AAEUAGOBSA-N 322.365 -0.530 30 20 DBED Cc1ncc(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C#CC3CC3)C2)[nH]1 1081472287 XKQLPQWRORCFIA-GXTWGEPZSA-N 316.361 -0.319 30 20 DBED C=CCOCC(=O)N1C[C@H](CNC(=O)c2[nH]cnc2C)[C@@H](O)C1 1081591718 BZKTYBORNABZIK-RYUDHWBXSA-N 322.365 -0.530 30 20 DBED C=CCCOCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2cnco2)C1 1081623419 KZCCOOISDRBWQZ-VXGBXAGGSA-N 323.349 -0.184 30 20 DBED C#CCCN1C[C@@H](NC(=O)Cn2nc(C)ccc2=O)[C@H](OC)C1 1082336939 RAYDTNIWNAWNGT-ZIAGYGMSSA-N 318.377 -0.610 30 20 DBED O=C1NCCN1CCN1CC[C@@H]2CN(C(=O)C#CC3CC3)[C@@H]2C1 1084333922 GYDHRACJZPYPKW-HUUCEWRRSA-N 316.405 -0.042 30 20 DBED C#CCCN1CC[C@@H]2CN(C(=O)CN3C(=O)CCC3=O)[C@@H]2C1 1084820667 JCBFYRILCCAWFX-CHWSQXEVSA-N 303.362 -0.309 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cn(C)nc2COC)[C@@H](O)C1 1090371553 LKMXQBGBXWHIEW-JSGCOSHPSA-N 306.366 -0.635 30 20 DBED CCOc1cc(N2C[C@@H](O)[C@H](NC(=O)[C@@H](C)C#N)C2)ncn1 1090392254 RJJBXHMNIZUPOE-HBNTYKKESA-N 305.338 -0.299 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2cc3n(n2)CCCO3)[C@@H](O)C1 1090425178 MBIJIMOSNHMMQT-OCCSQVGLSA-N 318.377 -0.146 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2cc3n(n2)CCCO3)[C@H](O)C1 1090425179 MBIJIMOSNHMMQT-TZMCWYRMSA-N 318.377 -0.146 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1O 1090445710 PETHDGKANAQNGZ-RAIGVLPGSA-N 317.349 -0.395 30 20 DBED CC[C@@H](C(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@H]1O)N(C)C 1090455419 UWAIQWRSGRBSPL-HZSPNIEDSA-N 317.393 -0.041 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2c(C)ncnc2O)[C@@H](O)C1 1090516496 XYAFBNLVTOTXKL-RYUDHWBXSA-N 304.350 -0.321 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cnc3c(cnn3C)c2)[C@@H](O)C1 1090679718 PTDVIWIDFRQUSP-KBPBESRZSA-N 313.361 -0.234 30 20 DBED CO[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1NC(=O)CC(N)=O 1090878001 ZOKSCQRXVOWBPK-VXGBXAGGSA-N 303.322 -0.852 30 20 DBED CN(CCOCCN(C)c1nccnc1C#N)C(=O)CC(N)=O 1091887480 SYGVOCTXEOTSRK-UHFFFAOYSA-N 320.353 -0.865 30 20 DBED CNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccnc(C#N)n1 1092956676 ODEPVTNQRWQICB-MXWKQRLJSA-N 314.349 -0.290 30 20 DBED COCCOCC(=O)N1CCN(c2cncc(C#N)n2)CC1 1093151671 XGIPPMIYVXOKHE-UHFFFAOYSA-N 305.338 -0.340 30 20 DBED CS(=O)(=O)CC(=O)N[C@H]1[C@@H]2CN(c3ncccc3C#N)C[C@@H]21 1093224652 AXDBCIOXGRMKIQ-PJXYFTJBSA-N 320.374 -0.451 30 20 DBED COC(=O)NCC(=O)NC1[C@H]2CN(c3ccc(C#N)nc3)C[C@H]12 1093240344 UXWSGAYFKZQWKE-RYUDHWBXSA-N 315.333 -0.140 30 20 DBED CNC(=O)CC(=O)NC1[C@H]2CN(c3nc(C)cc(C#N)n3)C[C@H]12 1093241499 GJSFLIRRBKDIPQ-QWRGUYRKSA-N 314.349 -0.656 30 20 DBED N#Cc1cc([N+](=O)[O-])ccc1NCCNC(=O)CNC(N)=O 1093501542 ZOXOEVMTQBEIOD-UHFFFAOYSA-N 306.282 -0.337 30 20 DBED Cc1cc(NC(=O)C(=O)NCCNc2cncc(C#N)n2)no1 1093650344 KCPIDSPHWJCCMQ-UHFFFAOYSA-N 315.293 -0.189 30 20 DBED N#Cc1nc(=NCCNC(=O)[C@H]2CCn3cncc3C2)cc[nH]1 1093951006 ATVQHJBSUMSWMW-NSHDSACASA-N 311.349 -0.243 30 20 DBED CCc1nc(C#N)cc(NCCNC(=O)CNC(=O)NC)n1 1094203946 CQOKRAZYXQLMKE-UHFFFAOYSA-N 305.342 -0.632 30 20 DBED C#CCN1CC(n2cc(CNC(=O)c3ccc(C)nn3)nn2)C1 1094289760 YPBHSISNYNCJRG-UHFFFAOYSA-N 311.349 -0.204 30 20 DBED C#CCCN1CC(N2C[C@H](NC(=O)c3cnco3)CC2=O)C1 1094767027 UBPJHNYEWLOGAN-LLVKDONJSA-N 302.334 -0.287 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)C[C@@H]3CCN(C)C3)CC2=O)C1 1094809737 OZKILQZHZUFMCQ-UONOGXRCSA-N 318.421 -0.637 30 20 DBED CC(=O)NCC(=O)N1CCC[C@H](Nc2nccnc2C#N)C1 1095273243 SKZMOXPGAGXYAB-NSHDSACASA-N 302.338 -0.113 30 20 DBED CN(CCCNC(=O)C[C@@H]1CCC(=O)N1)c1cnc(C#N)cn1 1095591965 WYHZFMMMHYQZIO-NSHDSACASA-N 316.365 -0.041 30 20 DBED CN(CCCNC(=O)C1CS(=O)(=O)C1)c1ccc(C#N)nn1 1095649819 RNQVGJAEHWRVMX-UHFFFAOYSA-N 323.378 -0.665 30 20 DBED CCN(CCCNC(=O)CC(=O)NC)c1ccc(C#N)nn1 1095863790 GFUATDAMTVPDNP-UHFFFAOYSA-N 304.354 -0.183 30 20 DBED Cc1nn(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC#N)c(=O)n1C 1096456038 UBXQFKWOZGGVRH-WOPDTQHZSA-N 304.354 -0.865 30 20 DBED CC[C@H](NC(C)=O)C(=O)N[C@H]1CCN(c2ccnc(C#N)n2)C1 1096486263 RYKCGUDNGYUNNS-RYUDHWBXSA-N 316.365 -0.042 30 20 DBED C[C@H](CNC(=O)CO[C@@H]1CCOC1)N=c1cc[nH]c(C#N)n1 1098075502 AJXARLYPHGNXAE-GHMZBOCLSA-N 305.338 -0.508 30 20 DBED C=CCNCc1cn([C@H]2CCN(C(=O)[C@H]3COC(=O)N3)C2)nn1 1098667350 XYHBLZMTJAMCCB-NWDGAFQWSA-N 320.353 -0.565 30 20 DBED C[C@H](CCNC(=O)[C@@H]1COCCN1C)Nc1nccnc1C#N 1099021073 MIVGDWBQEJILJQ-YPMHNXCESA-N 318.381 -0.014 30 20 DBED C[C@H](CCNC(=O)Cn1ncnn1)Nc1ccc(C#N)nn1 1099553147 KAZUNDBWSPAOGH-SECBINFHSA-N 301.314 -0.658 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)Cn2ccc(C)n2)[C@H](O)C1 1100005861 JAAHDKMSSFBMLE-HUUCEWRRSA-N 322.409 -0.054 30 20 DBED C#CCCN1CC[C@H](NC(=O)CNC(=O)C(C)(C)C)[C@H](O)C1 1100107503 GNMHJCGGKGKLPU-QWHCGFSZSA-N 309.410 -0.277 30 20 DBED C=CCNC(=O)CNC1CC(CNC(=O)[C@H]2CCCN2C)C1 1100185946 TZGUVOXNXCPRAO-JXQTWKCFSA-N 308.426 -0.133 30 20 DBED O=C(C#CC1CC1)NCC1CC(NCCN2CCNC2=O)C1 1100314911 KCSZJRXVWUWVFR-UHFFFAOYSA-N 304.394 -0.091 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)Cn2cncc2C)C1 1100509636 QPJYYSCRFXOWHJ-UHFFFAOYSA-N 317.393 -0.575 30 20 DBED C[C@H](CC(N)=O)C(=O)NC[C@@H]1CCCN1c1cncc(C#N)n1 1100886529 KWSARAVNRLXRNR-PWSUYJOCSA-N 316.365 -0.055 30 20 DBED CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CCN(c2ccnc(C#N)n2)C1 1100921009 AMHPSGWYVWIFDZ-JQWIXIFHSA-N 316.365 -0.185 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)CNC(=O)C1CCC1 1101644181 GBYZJIBQLWWBTP-UHFFFAOYSA-N 316.365 -0.443 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)CC2(O)CCC2)C1 1101947941 OHNPQKGWIDSORS-ZIAGYGMSSA-N 321.421 -0.275 30 20 DBED CCCN(C(=O)C(N)=O)[C@@H]1CCN(c2cnc(C#N)cn2)C1 1102262258 UOFKAYJXBXGMIU-LLVKDONJSA-N 302.338 -0.349 30 20 DBED CC[C@@H](CNC(=O)c1nnn(C)n1)Nc1cncc(C#N)n1 1103275608 NVIWHMGMNIKTNZ-QMMMGPOBSA-N 301.314 -0.508 30 20 DBED COCC#CCN1C[C@@H](C)[C@H](CCNC(=O)C2(C(N)=O)CC2)C1 1103388424 TTWQWORGVJHTLB-ZIAGYGMSSA-N 321.421 -0.024 30 20 DBED C[C@@H](CNC(=O)[C@@H]1COCCN1C)CNc1cnc(C#N)cn1 1103922594 GJNKIYQJGBFCHA-YPMHNXCESA-N 318.381 -0.157 30 20 DBED C[C@H](CN=c1cc[nH]cc1C#N)CNC(=O)C[C@@H](C)NC(N)=O 1104099976 VGLDTUWIAIFEEG-GHMZBOCLSA-N 318.381 -0.014 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H]1CN(c2ncccn2)CCO1 1104329780 AIOBCPAGSMAVAS-CHWSQXEVSA-N 304.350 -0.164 30 20 DBED CNC(=O)NCCC(=O)N(C)[C@@H](C)CN=c1cc[nH]cc1C#N 1104547442 WUSCPEAPPQTAGF-NSHDSACASA-N 318.381 -0.047 30 20 DBED CN(CCN(C)c1cc(C#N)ccc1[N+](=O)[O-])C(=O)C(N)=O 1105543742 NIVRJKVYXKYVNF-UHFFFAOYSA-N 305.294 -0.154 30 20 DBED Cc1nnsc1C(=O)NC[C@H](O)CNc1cnc(C#N)cn1 1105744543 TVLLHTCZWYBPOT-SECBINFHSA-N 319.350 -0.289 30 20 DBED CC[C@@H](SC)C(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1 1105822302 NDOWWUXUGFSCRR-NXEZZACHSA-N 309.395 -0.199 30 20 DBED Cc1c[nH]nc1C(=O)NC[C@@H](O)CN=c1cc[nH]cc1C#N 1105825723 ODVWKQAYWKNHLT-NSHDSACASA-N 300.322 -0.391 30 20 DBED Cc1nc(NC[C@H](O)CNC(=O)c2cnnn2C)ccc1C#N 1105833713 PHFYFACCCXDSJN-NSHDSACASA-N 315.337 -0.407 30 20 DBED Cc1cnn(C)c1C(=O)NC[C@H](O)CNc1cncc(C#N)n1 1106058282 PLZHKJNCLNTTLT-LLVKDONJSA-N 315.337 -0.407 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)[C@@H]2[C@H]3COC[C@H]32)nc1 1106062060 BEJYVJXQMOLGIJ-CIQGVGRVSA-N 302.334 -0.265 30 20 DBED C[C@@H]1CCN(CC(=O)NC[C@H](O)CN=c2cc[nH]cc2C#N)C1 1106105862 YYBNNWRJDMZJDE-TZMCWYRMSA-N 317.393 -0.394 30 20 DBED CC(=O)NC(C)(C)C(=O)N[C@H](C)CN=c1cc[nH]c(C#N)n1 1107835590 GAZJDOLLJVVAPW-SECBINFHSA-N 304.354 -0.399 30 20 DBED C=CCN1CCO[C@@](C)(CNC(=O)CNS(=O)(=O)CC)C1 1107979368 FMBXLDCBMDOJIV-ZDUSSCGKSA-N 319.427 -0.681 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)c2cn(CC=C)nn2)C1 1108266634 PFRSQUHWSZJUHA-HNNXBMFYSA-N 303.366 -0.082 30 20 DBED CCC(=O)NCC(=O)N[C@@H]1[C@H]2C[C@H]1N(c1cncc(C#N)n1)C2 1109702902 SRXQBHYNFZXPPV-ZVWUFJHRSA-N 314.349 -0.432 30 20 DBED Cc1cc(C#N)nc(NCCN(CCO)C(=O)c2cnn[nH]2)n1 1111585711 JKIDADHTTDCCCV-UHFFFAOYSA-N 316.325 -0.679 30 20 DBED N#Cc1ccc(N2CCC(CO)(NC(=O)CC(N)=O)CC2)cn1 1112656803 BJFKYVZDAOIGJT-UHFFFAOYSA-N 317.349 -0.724 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)C[C@](C)(O)C=C)CC1 1112804527 MOLQRPLWBOIQBD-CZUORRHYSA-N 307.394 -0.404 30 20 DBED C[C@H](NC(=O)CCNC(N)=O)[C@H](C)Nc1nccnc1C#N 1113038990 OCLXLTAHZAFEHI-IUCAKERBSA-N 305.342 -0.288 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)[C@@H](CC)NC(C)=O)CC1 1113368491 MGMAAYKCZZDQFQ-TZMCWYRMSA-N 322.409 -0.817 30 20 DBED C=CCCO[C@H](C)C(=O)NC1[C@@H]2CN(CC(=O)NC(N)=O)C[C@@H]12 1113999064 IOTDJMWPNZUHPA-GMTAPVOTSA-N 324.381 -0.791 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)c3cnccc3C)[C@@H]2C1 1114090538 GDJOWKLVDKODNA-ZIAGYGMSSA-N 312.373 -0.201 30 20 DBED CC[C@H](C(=O)NC1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]12)N(C)C 1114461005 LGCIIYBINDMIAD-IJLUTSLNSA-N 307.398 -0.987 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)C3(CN(C)C)CC3)[C@@H]2C1 1114740881 DAGDPOWRWVWAPQ-CHWSQXEVSA-N 318.421 -0.876 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)CCN(C)C)[C@H]2C1 1114780181 GGJGRDRENIBWJH-RMRHIDDWSA-N 308.426 -0.325 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)Cc3ncc[nH]3)[C@@H]2C1 1115021290 YVNPUNSMJFLSLV-QJPTWQEYSA-N 317.393 -0.311 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)[C@H]3CCC(=O)N(C)C3)[C@@H]2C1 1115300395 RDAMVAQIQQXUSV-BFHYXJOUSA-N 319.405 -0.449 30 20 DBED CCc1nc(C#N)cc(N[C@@H](C)CN(C)C(=O)CNC(N)=O)n1 1115603263 QDNRQJKXROYHCL-VIFPVBQESA-N 319.369 -0.162 30 20 DBED C[C@H](CN(C)C(=O)C[C@H]1COC(=O)C1)N=c1cc[nH]c(C#N)n1 1115710780 BOSYRQBTTVYZES-GHMZBOCLSA-N 317.349 -0.018 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N[C@@H](C)CS(=O)(=O)CC 1117334380 IWUHOTBUTQYVIA-NSHDSACASA-N 320.411 -0.413 30 20 DBED CCN(C(=O)NCC(=O)NCC#N)[C@@H](C)CS(C)(=O)=O 1117431967 QTQGULJRWRRAAN-VIFPVBQESA-N 304.372 -0.909 30 20 DBED CN1CCN(C)[C@H](CNC(=O)C(=O)N2CCC[C@H](C#N)C2)C1 1119692944 RSYGTIONMNMJBV-CHWSQXEVSA-N 307.398 -0.889 30 20 DBED N#Cc1cnc(N[C@@H](CO)CNC(=O)[C@H]2CCCOC2)cn1 1121197105 GGNYSXGYHMFODF-CMPLNLGQSA-N 305.338 -0.336 30 20 DBED N#Cc1nc(=N[C@H](CO)CNC(=O)c2cccc(O)n2)cc[nH]1 1121427418 WQDVXGFZKSIMML-VIFPVBQESA-N 314.305 -0.926 30 20 DBED N#Cc1nc(=N[C@H](CO)CNC(=O)CCn2cccc2)cc[nH]1 1121977156 MBCVYLBOJRUGOT-LBPRGKRZSA-N 314.349 -0.449 30 20 DBED C[C@@]1(C(=O)NC[C@@H](CO)Nc2ccc(C#N)cn2)CCC(=O)N1 1122487202 GKXJXBZJJVHTCU-NHYWBVRUSA-N 317.349 -0.489 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)Cc2cnc[nH]2)nc1 1122624023 XBTIIDRGCOYLMT-LBPRGKRZSA-N 300.322 -0.192 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)c2ccc(O)nn2)C1=O 1123095454 LWZNKGUBCJDBBO-NSHDSACASA-N 305.338 -0.712 30 20 DBED C=CCCC(=O)N(C)C[C@@H](O)CNc1nccn2nnnc12 1124162465 FIBBMUHDGYVLCZ-JTQLQIEISA-N 305.342 -0.283 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]cc1C#N)C(=O)c1cncn1C 1124591517 BVBYVZVLQYDNOJ-GFCCVEGCSA-N 314.349 -0.346 30 20 DBED CN(C[C@@H](O)CN(C)c1cncc(C#N)n1)C(=O)c1cnco1 1125231254 OXJLMWICHXIQRA-NSHDSACASA-N 316.321 -0.094 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)[C@H](O)C(C)C 1126636760 AXFVEGCXDQMWCL-WDEREUQCSA-N 314.386 -0.891 30 20 DBED C#CCOCCC(=O)NCCNC[C@@H](O)COCc1ccco1 1127023036 AIJQGJGYQMAPMT-CQSZACIVSA-N 324.377 -0.097 30 20 DBED C#CCCN[C@@H]1CN(C(=O)[C@@H](C)COC)C[C@@H]1n1ccnn1 1129680836 CELBAEAALKKQJN-MJBXVCDLSA-N 305.382 -0.075 30 20 DBED C#CCOCCC(=O)N1C[C@H](n2ccnn2)[C@H](NCCF)C1 1129837714 KOAFJRZYBVLIMU-OLZOCXBDSA-N 309.345 -0.371 30 20 DBED C=CCCN[C@@H]1CN(C(=O)CCNC(N)=O)C[C@@H]1n1ccnn1 1130118814 OZANZNVMIULSKL-NEPJUHHUSA-N 321.385 -0.746 30 20 DBED C#CCNC(=O)CNCCNC(=O)C1(NC(C)=O)CCCCC1 1130378991 DSVXTUIRHWPHJS-UHFFFAOYSA-N 322.409 -0.719 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@@H](COC)OC)C[C@H]1c1cn(C)cn1 1130669703 JMJZTKPKFIBCMY-NWANDNLSSA-N 320.393 -0.401 30 20 DBED C=CCOCCNCCNC(=O)CN(C)CC(=O)NC(C)C 1130793533 OSDFNOQLBXWIHI-UHFFFAOYSA-N 314.430 -0.649 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1ccn2ccnc2c1 1131262614 BTSGEOSHASONAV-UHFFFAOYSA-N 301.350 -0.044 30 20 DBED N#CCSCC(=O)N1CCC(=O)NCCN(CCF)CC1 1131330522 VCUQVVDOCLHJGM-UHFFFAOYSA-N 316.402 -0.137 30 20 DBED C#CCCN1CCNC(=O)CCN(C(=O)[C@@H](C)COC)CC1 1131341794 BSHLGCPBWSYXII-AWEZNQCLSA-N 309.410 -0.057 30 20 DBED CNC(=O)CN[C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](C)C#N)CC1 1131451335 LIIPEQWOERWANE-LNSITVRQSA-N 322.409 -0.122 30 20 DBED C[C@@H]1CC[C@@H](NC(=O)Cc2ncc[nH]2)CN1CC(=O)NCC#N 1132380253 HPWXSRWUDZVMHO-VXGBXAGGSA-N 318.381 -0.439 30 20 DBED C#CCNC[C@@H]1CN(C(=O)Cn2c(O)nnc2O)CC[C@@H]1C 1133271396 PCGZFYURQIDPLG-WDEREUQCSA-N 307.354 -0.603 30 20 DBED C=CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)c1ccc(O)nn1 1133610509 GQNDXCUHNVKIFO-GHMZBOCLSA-N 321.381 -0.029 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)Cn1ccnc1 1146771655 OYKNQEIFSPWBND-QWHCGFSZSA-N 305.382 -0.495 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)NCCNCc1n[nH]c(C)n1 1152404400 ALDLPBNWMVCUKB-UHFFFAOYSA-N 323.401 -0.417 30 20 DBED CC(=O)NC1CCC(C(=O)NCCNCC(=O)NCC#N)CC1 1153632810 SNHMLRMLTBMRNX-UHFFFAOYSA-N 323.397 -0.973 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)c1nc(C)c[nH]1 1155729904 ACIMIMVDLNAPMW-LLVKDONJSA-N 306.370 -0.202 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCCNCc1nnnn1C1CC1 1157188959 DBUFMVDKZIMNJE-CQSZACIVSA-N 308.386 -0.069 30 20 DBED N#CCNC(=O)CNCCCNC(=O)CNC(=O)C1CCCC1 1158625417 WTRGUFUCGCGVFA-UHFFFAOYSA-N 323.397 -0.972 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)[C@@H]1CC(=O)N(C)C1 1159270009 DSMFZGKSIFOBOM-NWDGAFQWSA-N 310.398 -0.749 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)Cc1cn(CC)nn1 1163000487 RLWKKJNGKZOKIR-LBPRGKRZSA-N 322.413 -0.373 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@@H]1C[C@H]1c1ccnn1C 1163014066 PZVMTPOSRNYGJX-CHWSQXEVSA-N 319.409 -0.078 30 20 DBED C#CCNC(=O)CNCCCNC(=O)Cc1ccc(OC)cn1 1164550654 PPFABLPURXFSGL-UHFFFAOYSA-N 318.377 -0.522 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)C(C)(C)NC(C)=O 1168493678 OHHBNDJPSYWKQV-LLVKDONJSA-N 312.414 -0.312 30 20 DBED C[C@H](CCCCNCC#N)NC(=O)[C@@H]1CCS(=O)(=O)N1 1176639247 QWAGJUMPJZCJID-MNOVXSKESA-N 302.400 -0.534 30 20 DBED CC(C)C(=O)N(C)CC(=O)N1CC[C@H]2OCCN(CC#N)[C@@H]2C1 1177030399 NLUFQKKNSGXMLV-ZIAGYGMSSA-N 322.409 -0.074 30 20 DBED N#CCNC(=O)CNCCCCCCNC(=O)[C@@H]1[C@H]2COC[C@H]21 1179320488 UUWWOOULFRAESI-NHAGDIPZSA-N 322.409 -0.215 30 20 DBED C#CCNCCCCCCNC(=O)CS(=O)(=O)N(C)C 1180174253 UCPULBBADNRJQY-UHFFFAOYSA-N 303.428 -0.223 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)Cc2cc(C)[nH]n2)C1 1181950470 LSJDSEQVDBJVQT-QWHCGFSZSA-N 317.393 -0.411 30 20 DBED C[C@H]1CN(C(=O)c2cn[nH]c2)CC[C@H]1CNCC(=O)NCC#N 1183923187 KAJVWTDXWPTQGS-RYUDHWBXSA-N 318.381 -0.263 30 20 DBED C#CCNC[C@H]1CN(C(=O)Cn2nccn2)CC12CCOCC2 1186392719 CYIKGGJUQSWOHN-AWEZNQCLSA-N 317.393 -0.244 30 20 DBED N#CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3n[nH]cc3F)[C@@H]2C1 1189069850 SVFJCDWHNDVXKB-GXSJLCMTSA-N 320.328 -0.665 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](N(C)CCCN2C(=O)CNC2=O)C1 1189400884 PXPREOOYEPRQJW-RYUDHWBXSA-N 321.381 -0.379 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2cn(C)cn2)C1 1189640446 APIYDPILWKYOMY-GFCCVEGCSA-N 305.382 -0.131 30 20 DBED C#CCCN(C)[C@H]1CCN(C(=O)CNS(=O)(=O)CC)C1 1190463308 SSJOQRDLCNKPAN-LBPRGKRZSA-N 301.412 -0.518 30 20 DBED CC#CCN(C)[C@@H]1CCN(C(=O)CCc2nnc(O)nc2O)C1 1191121002 XHUVTKZTXATWQU-LLVKDONJSA-N 319.365 -0.229 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)/C=C(/C)C2CC2)C1 1191409915 QQBCTEYSPPBESV-XAVULWGNSA-N 305.378 -0.747 30 20 DBED C=CCNC(=O)[C@@H](C)N(C)[C@H]1CCN(C(=O)c2[nH]nnc2C)C1 1191675593 ZFLZWUCOWYEQKH-NEPJUHHUSA-N 320.397 -0.050 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)C2CC(F)(F)C2)C1 1192136805 LXWJJYZSSKAXIG-VXGBXAGGSA-N 302.321 -0.157 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(Cc2ccnn2C)C[C@H]1O 1192525436 UQKADRMIPFUUBM-UMVBOHGHSA-N 308.382 -0.592 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)CNC(=O)c2ccccn2)C1 1198970536 ODGSRLQJLUBKGK-ZIAGYGMSSA-N 318.377 -0.451 30 20 DBED CNC(=O)NC(=O)[C@H](C)NC1CCN(C(=O)C#CC2CC2)CC1 1200461798 KNVCTDYVTMKUGH-NSHDSACASA-N 320.393 -0.176 30 20 DBED C#CCNC[C@H]1CN(C(=O)c2cc(OC)n(C)n2)CCCO1 1200931448 SUZWINGJEAJPLI-LBPRGKRZSA-N 306.366 -0.117 30 20 DBED C#CCNC[C@@H]1CN(C(=O)c2ccoc2CC(N)=O)CCCO1 1201252245 KQAGVDRXKHYJIG-GFCCVEGCSA-N 319.361 -0.239 30 20 DBED C=CCNC[C@@H]1CN(C(=O)COCc2ncnn2C)CCCO1 1201759511 VWELARVPPWOMLY-CYBMUJFWSA-N 323.397 -0.275 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)[C@@H]2[C@H]3COC[C@H]32)CC1 1202069143 VOGBVWLRXKUQDM-NHAGDIPZSA-N 307.394 -0.238 30 20 DBED C#CCNC(=O)[C@H](C)NC1CCN(C(=O)Cc2nc[nH]n2)CC1 1203277704 LXGYHWLJXPRCRG-NSHDSACASA-N 318.381 -0.934 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(Cc2cn(CC)nn2)C[C@H]1OC 1212034515 XPRFCQDRGWWQPW-ZIAGYGMSSA-N 323.397 -0.184 30 20 DBED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)C1(C(C)C)CC1 1213419277 QJDLSPSITZGNAB-CHWSQXEVSA-N 322.409 -0.122 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@@H](NCc2nnnn2C)[C@H](C)C1 1214602110 KEADFZKIFQJRQZ-IJLUTSLNSA-N 306.370 -0.815 30 20 DBED COCC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cnsn1 1217360159 HXYGPYZZEMLLNV-QWHCGFSZSA-N 322.390 -0.287 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2ccoc2C)C1 1219155943 UAPPWGSEIGZART-OLZOCXBDSA-N 305.334 -0.888 30 20 DBED C=CCCCCCN1C[C@H](O)[C@H](NC(=O)Cn2cnnc2O)C1 1219477981 IBSKZWWIUNOJIP-OLZOCXBDSA-N 323.397 -0.109 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCCN(C(=O)CCCC(N)=O)C1 1222117404 JDAMGUNRSSDYRI-QWHCGFSZSA-N 322.409 -0.640 30 20 DBED CC(C)OCC(=O)NCC1CCN(CC(=O)NCC#N)CC1 1222547693 BDGQSTRDZVYWPH-UHFFFAOYSA-N 310.398 -0.121 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)[C@H](C)COC)CC1 1222624852 QBHVMIYAFCUYQT-CYBMUJFWSA-N 309.410 -0.154 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCC(NC(=O)[C@@H]2CCC(=O)N2)CC1 1230078425 ULTPKYNHVNVIDP-YPMHNXCESA-N 322.409 -0.464 30 20 DBED COCC#CCN1CCC(NC(=O)C[C@H]2CC(=O)NC2=O)CC1 1230475319 GEUXTAQINPAVMS-LBPRGKRZSA-N 321.377 -0.730 30 20 DBED C=CCNC(=O)NC(=O)CN1CC[C@H]1CN(C)C(=O)C(F)F 1230575993 QTPZMUWCOQLJEK-VIFPVBQESA-N 318.324 -0.204 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCC[C@H]1CC(=O)OC)[C@@H]1CCCO1 1261154486 MHGZBKFDIOVJGA-AVGNSLFASA-N 322.361 -0.163 30 20 DBED C#CCNC(=O)C1CCN(C(=O)NC[C@H]2COCCN2)CC1 1261819132 QVHOQJNJVNJITO-ZDUSSCGKSA-N 308.382 -0.854 30 20 DBED C=CCC1(O)CCN(C(=O)C(=O)NCc2cn(C)cn2)CC1 1262330882 MDYCACSEQOCFHU-UHFFFAOYSA-N 306.366 -0.034 30 20 DBED C=CC1CCN(C(=O)C(=O)NCCS(=O)(=O)NCC)CC1 1322842842 NLZXHRSSLQOGAW-UHFFFAOYSA-N 317.411 -0.534 30 20 DBED CC(C)(C)[S@@](=O)CCNC(=O)C(=O)N1CCO[C@@H](C#N)C1 1323432124 NEOBATNOMRGSHI-CWKPULSASA-N 315.395 -0.599 30 20 DBED C=C[C@@H]1CCCCN1C(=O)C(=O)NC[C@H]1CC[C@@H](C(N)=O)O1 1324292034 BTJYJNHKECMPTA-UTUOFQBUSA-N 309.366 -0.297 30 20 DBED COCCN(CCN(C)C)C(=O)C(=O)N1CC[C@](F)(C#N)C1 1325707722 OKSMLCOODOODFD-AWEZNQCLSA-N 314.361 -0.513 30 20 DBED C[C@@H]1C[C@@H](CO)CN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)C1 1326229538 LHQCAMBQXWMOAB-LALPHHSUSA-N 309.366 -0.660 30 20 DBED N#C[C@H]1CC[C@@H](NC(=O)C(=O)NCc2nnnn2CC2CC2)C1 1332041137 BEAUNFKNHPVGKO-WDEREUQCSA-N 317.353 -0.492 30 20 DBED CCC(=O)N1CC[C@H](NC(=O)C(=O)N2CCC[C@@H](C#N)C2)C1 1333016026 YYZITUJIPQFIAC-RYUDHWBXSA-N 306.366 -0.124 30 20 DBED C#CCOCCn1nnnc1N1CC[C@H](OC(=O)N(C)C)C1 1334472998 VPPBFKWVPWQISS-NSHDSACASA-N 308.342 -0.400 30 20 DBED C#CC[C@@H](CCOC)NC(=O)NCCC(=O)N1CCOCC1 1334891100 RSOOAZZMFJYLOH-ZDUSSCGKSA-N 311.382 -0.037 30 20 DBED C#CCOCCn1nnnc1N1CCC2(CC1)C[C@H](O)CCO2 1335758712 YODWSKPNEGQRKJ-CYBMUJFWSA-N 321.381 -0.167 30 20 DBED N#CCCCNS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 1337651427 YCZCZKKOTXSBOP-UHFFFAOYSA-N 308.319 -0.202 30 20 DBED Cn1ncc(C(=O)N2CCN(CC#N)CC2)c1-n1cnnc1 1343529152 IJBYIHHPXYUULZ-UHFFFAOYSA-N 300.326 -0.718 30 20 DBED C=C(CC)C(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 1345643342 SHQWHKCFFBESIK-UHFFFAOYSA-N 307.350 -0.228 30 20 DBED Cn1nccc1CCNC(=O)CCn1cc(C#N)c(O)nc1=O 1362316209 ZJFMYWWPFDWCOV-UHFFFAOYSA-N 316.321 -0.697 30 20 DBED C[C@H](C#N)C(=O)N1CCC(N(CCO)C(=O)c2cc[nH]n2)CC1 1371829434 ISDGAQJCEMVRHC-LLVKDONJSA-N 319.365 -0.005 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)CCc3nc[nH]n3)[C@H]2C1 1372703608 FPVSUKFXVLEYGH-DNJQJEMRSA-N 302.338 -0.530 30 20 DBED CN(CCNC(=O)[C@H]1COC(=O)N1)C(=O)c1ccc(C#N)[nH]1 1373424500 RIQHENLURNCCPZ-SNVBAGLBSA-N 305.294 -0.817 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H](O)CNC(=O)C2=COCCC2)c1 1392048378 YFCWFDBVNQQDMN-GFCCVEGCSA-N 318.333 -0.212 30 20 DBED CC(=O)NCC(=O)N[C@@H](C)C1CN(C(=O)c2cc(C#N)c[nH]2)C1 1395258921 CSVPSWJPKIMQGX-VIFPVBQESA-N 317.349 -0.401 30 20 DBED CCCC[C@H](NC(N)=O)C(=O)NCC1CN(C(=O)[C@H](C)C#N)C1 1398781928 HICVSUKMGXSVID-PWSUYJOCSA-N 323.397 -0.052 30 20 DBED CC(C)[C@@H](CNC(=O)c1ccc(=O)n(C)n1)NC(=O)[C@@H](C)C#N 1399625644 NUWSNQPTLFJUBK-CMPLNLGQSA-N 319.365 -0.189 30 20 DBED CCO[C@@H](C)C(=O)NC[C@H](O)CNC(=O)c1cc(C#N)c[nH]1 1410054146 KGKNIFQDHBQOQN-ONGXEEELSA-N 308.338 -0.482 30 20 DBED CC(C)Cn1ccc(C(=O)NC[C@@H](O)CNC(=O)[C@H](C)C#N)n1 1410133172 OOUCHMVJRRUPOE-NEPJUHHUSA-N 321.381 -0.094 30 20 DBED CCC[C@@H](NC(N)=O)C(=O)NCC1(NC(=O)[C@H](C)C#N)CC1 1410785057 WFDUBJCDKZGHGZ-NXEZZACHSA-N 309.370 -0.252 30 20 DBED CCOC(=O)N1CCCN(c2[nH]c(=O)n(C)c(=O)c2C#N)CC1 1412871224 CVYWEPSAGDQSIT-UHFFFAOYSA-N 321.337 -0.386 30 20 DBED COCCN(CCNC(=O)Cc1cc[nH]n1)C(=O)[C@H](C)C#N 1413489372 HITBRNNYQRZBSX-LLVKDONJSA-N 307.354 -0.297 30 20 DBED CCN(CCNC(=O)Cc1nc[nH]n1)C(=O)c1c[nH]c(C#N)c1 1415729956 TUWURVHFQFFWRS-UHFFFAOYSA-N 315.337 -0.175 30 20 DBED CC[C@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)c1cn(C)nn1 1416201172 SXIQUNQYCZCGMB-SNVBAGLBSA-N 315.337 -0.047 30 20 DBED Cc1nccc(CCC(=O)NC[C@H](O)CNC(=O)[C@H](C)C#N)n1 1416778822 PGDBGZFHJDRUIP-MFKMUULPSA-N 319.365 -0.529 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C(=O)[C@@H]1CCC(=O)NC1)C1CC1 1431917827 UGMBCVLETKABIZ-WDEREUQCSA-N 306.366 -0.221 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)C[C@H]2CCCC(=O)N2)CC1 1432249867 IACBDUDJWXXRHT-GHMZBOCLSA-N 306.366 -0.030 30 20 DBED CC[C@H](C)OCC(=O)NC[C@@H](O)CNC(=O)c1c[nH]c(C#N)c1 1452331629 QDZNLBGHKZJZOW-GXFFZTMASA-N 322.365 -0.092 30 20 DBED C[C@H](CNC(=O)Cc1nc2ncccn2n1)NC(=O)[C@H](C)C#N 1458291334 UWZJHVOYNBVBEK-NXEZZACHSA-N 315.337 -0.553 30 20 DBED COCCn1cc(C(=O)N2CC(CNC(=O)[C@@H](C)C#N)C2)cn1 1498676532 DPYNHHSJOYGEHN-NSHDSACASA-N 319.365 -0.123 30 20 DBED C#CCNC[C@H]1CCCN1C(=O)CCC(=O)N1CCOCC1 1568152143 LFPKQICSCQEOHQ-CQSZACIVSA-N 307.394 -0.161 30 20 DBED C=CCN1CCC(NC(=O)N2CCN(C3CNC3)CC2)CC1 1574936305 JMMMCTYSZYKTQS-UHFFFAOYSA-N 307.442 -0.064 30 20 DBED COCC#CCNC[C@@H](O)CN(C)C(=O)CCCc1cnn[nH]1 1576952983 KKHOYNKFRULFEQ-CQSZACIVSA-N 323.397 -0.814 30 20 DBED Cn1cc(CC2CN(c3cnc(C#N)c(-c4nn[nH]n4)n3)C2)cn1 1581769523 YKIVUBKXQPIJGC-UHFFFAOYSA-N 322.336 -0.059 30 20 DBED C#CCN(CC(=O)O)c1nnc([C@H]2CCNC(=O)C2)n1CC=C 1588427278 RYWIRYMREADPMZ-NSHDSACASA-N 317.349 -0.018 30 20 DBED C#CCO[C@H](C)C(=O)N(CC)CCN=c1cc[nH]c(C(=O)O)n1 1588489698 BIXIHVCNDBNROB-LLVKDONJSA-N 320.349 -0.105 30 20 DBED C[C@@H](C(=O)NC1(C#N)CCOCC1)n1cnc(-c2nn[nH]n2)n1 1588970471 JRLVQDQGOLMUDM-QMMMGPOBSA-N 317.313 -0.792 30 20 DBED C[C@]1(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[nH]2)CCNC(=O)C1 1590071362 ZGKSXLOGRROUPH-LBPRGKRZSA-N 315.297 -0.684 30 20 DBED C#CCNC(=O)CNC1CC(N(C)C(=O)[C@H]2CCCN2C)C1 1677419897 SHWVYWORWJBILY-JXQTWKCFSA-N 306.410 -0.591 30 20 DBED C=C(C)CN(CC)C(=O)[C@H](C)NC[C@H]1CCCN1C(=O)C(N)=O 1714346071 WSTGLCDOPMTIQQ-QWHCGFSZSA-N 324.425 -0.135 30 20 DBED C=CCn1cc(C(=O)N[C@H]2C[C@@H](NCC(=O)N(C)C)C2)nn1 1752767318 WDTTVDAYXBTVDD-PHIMTYICSA-N 306.370 -0.597 30 20 DBED C#CCNC(=O)CN1CCCC[C@@H]1CNC(=O)COCC=C 1752817797 PHYCUNTVBXMKTD-CQSZACIVSA-N 307.394 -0.091 30 20 DBED C#CCCN1CC[C@H](N(C)C(=O)CCc2nnc(O)nc2O)C1 1753439293 FRZYWCBHWJAAOD-NSHDSACASA-N 319.365 -0.229 30 20 DBED C#CCNC(=O)CN1CCO[C@H](CNC(=O)c2ccccc2)C1 1753647221 HQYUVWDUXZRWCT-OAHLLOKOSA-N 315.373 -0.133 30 20 DBED COCC#CCNC[C@@H](NC(=O)c1ccc(O)nn1)C1CC1 1754435795 MXRPTUAIDWJHPZ-CYBMUJFWSA-N 304.350 -0.070 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@@H]1CNC(=O)c1cnn(C)c1 1754471775 DHOCCUWFXGRFIF-WCQYABFASA-N 303.366 -0.638 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H](CNCC(N)=O)C1CCCC1 1754649899 LUBTYCMMFUKMGI-CABCVRRESA-N 320.437 -0.166 30 20 DBED C#CCCNCC1(O)CCN(C(=O)[C@@H]2C[C@H]2C(=O)OC)CC1 1755147865 HYWDWJJLXIIRES-CHWSQXEVSA-N 308.378 -0.238 30 20 DBED C=C(C)CCN1CCC(CO)(NC(=O)CCn2cnnn2)CC1 1755181346 UPYIMPAAJJLFRE-UHFFFAOYSA-N 322.413 -0.028 30 20 DBED N#CCNCCCOC1CCN(C(=O)CCNC(N)=O)CC1 1755348165 UYEVNQLKWYHZTA-UHFFFAOYSA-N 311.386 -0.444 30 20 DBED C=CCCN1CC([C@@H](C)NC(=O)CNC(=O)CNC(C)=O)C1 1755379272 WFYCWXHHISRMIW-LLVKDONJSA-N 310.398 -0.749 30 20 DBED C=CCCN[C@@H](CO)CNC(=O)c1cncc(-n2ccnn2)c1 1755634559 HLRJKDNNYSYMSR-CYBMUJFWSA-N 316.365 -0.081 30 20 DBED C#Cc1ccc(C(=O)NC[C@H](CO)NCCn2cccn2)nc1 1755645968 YHEWXUBPMYDINV-CQSZACIVSA-N 313.361 -0.360 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@H](C)N(C(=O)CC2OCCCO2)C1 1755672758 CKFAYZKGYOUAPT-STQMWFEESA-N 323.393 -0.532 30 20 DBED CCOCC(=O)N[C@]12CCC[C@@H]1N(CC(=O)NCC#N)CC2 1755696042 WKXKTJVJGIACDG-WFASDCNBSA-N 308.382 -0.224 30 20 DBED CN(C[C@H](O)CNCC#N)C(=O)c1ccnn1CC(F)(F)F 1755781310 DFTLULPWIBYDIE-SECBINFHSA-N 319.287 -0.009 30 20 DBED COCC#CCN(C)C[C@H](O)CN(C)C(=O)c1oncc1C 1755807637 VUZKLMZXIAYZAL-ZDUSSCGKSA-N 309.366 -0.002 30 20 DBED C=CCC(C)(C)C(=O)NC[C@@H](CO)NC(=O)Cn1cncn1 1756523604 WZURRYDTBNWZEW-NSHDSACASA-N 309.370 -0.526 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H](CO)CNC(=O)c1ncccn1 1756545193 MXODDACOFPCGOW-YGRLFVJLSA-N 308.338 -0.989 30 20 DBED C[C@@H](C(=O)N(C)C[C@H](O)CNC(=O)C#CC1CC1)n1cccn1 1756654521 WYSGMEWXPNJJDG-GXTWGEPZSA-N 318.377 -0.207 30 20 DBED C#CCCCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnc(O)n2C)C1 1757022053 IRXQHYXOFJBVFT-ZYHUDNBSSA-N 320.349 -0.769 30 20 DBED C=CCCOCC(=O)N[C@H]1C[C@@H](CNC(=O)[C@H]2CCNC2=O)C1 1757325405 DPIFYIHZLNPFRW-XQQFMLRXSA-N 323.393 -0.274 30 20 DBED N#Cc1ncn(CC(=O)NCc2nnc3n2CCCCC3)n1 1771626667 LKHYGQIBVIEKQJ-UHFFFAOYSA-N 300.326 -0.216 30 20 DBED C=CCSCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(O)O 1792897372 GHSSSOPPUUCUHG-JGPRNRPPSA-N 314.407 -0.146 30 20 DBED CCOCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC#N 1795084556 GOPKZNNAKFEGIN-JJLQDPRZSA-N 309.366 -0.084 30 20 DBED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)c2ccno2)C1 1842439669 YWYMJIACAMRYOK-UHFFFAOYSA-N 303.274 -0.420 30 20 DBED CCB1O[C@@H]2[C@@H](CO)O[C@@H](n3cnc4c(N)ncnc43)[C@@H]2O1 1887450662 DTNRGMCFOTTXFH-WOUKDFQISA-N 305.103 -0.410 30 20 DBED CC(C)CN1CCO[C@H](CNC(=O)Cn2cnc(C#N)n2)C1 14144303 PYIFTCVVBBVYCZ-GFCCVEGCSA-N 306.370 -0.377 30 20 DBED N#Cc1ccccc1CS(=O)(=O)N[C@H](CC(N)=O)C(=O)O 21795613 BIRJJRSQSFCQGD-SNVBAGLBSA-N 311.319 -0.694 30 20 DBED C#Cc1cccc(NC(=O)C(=O)N2CCO[C@@H](C(N)=O)C2)c1 51890711 ZHLZHVYJXZHHEQ-GFCCVEGCSA-N 301.302 -0.681 30 20 DBED CN(C[C@@H](O)C(F)(F)F)c1c(C#N)c(=O)n(C)c(=O)n1C 91629390 YEILDZCFKAJEFU-SSDOTTSWSA-N 306.244 -0.685 30 20 DBED CN1CCN(C(=O)CN(CCC#N)CCN2CCOCC2)CC1 129055116 IHTUBXKUWQPSSL-UHFFFAOYSA-N 323.441 -0.692 30 20 DBED N#CCN1CCN(C(=O)CNC(=O)COc2ccccc2)CC1 130125929 PESKVFQESSDCOJ-UHFFFAOYSA-N 316.361 -0.151 30 20 DBED C#CCSCCNC(=O)c1cnc2[nH]c(=O)[nH]c(=O)c2c1 130526548 NMEFPGNKEKSKMU-UHFFFAOYSA-N 304.331 -0.292 30 20 DBED CNS(=O)(=O)c1ccc([C@@H](C)NCC(=O)NCC#N)cc1 181043853 HYSRGQSVWFPDSA-SNVBAGLBSA-N 310.379 -0.115 30 20 DBED C=CCN1CCC(NC(=O)N2CCO[C@H](C(=O)NC)C2)CC1 181636101 LTLZXWAKVPBSDZ-ZDUSSCGKSA-N 310.398 -0.207 30 20 DBED C#CCNS(=O)(=O)c1ccc(C(=O)N2CC(C)(O)C2)cc1 277349055 AKFZCWQGVXSFIK-UHFFFAOYSA-N 308.359 -0.195 30 20 DBED C/N=C(/O)NCC(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O 330527878 KWKJYLOEFAOQEB-SECBINFHSA-N 308.342 -0.835 30 20 DBED CNC(=O)[C@@H]1CN(C(=O)C/N=C(/O)c2ccoc2C)CCO1 330807363 KQCLRKQFJZPHTF-NSHDSACASA-N 309.322 -0.134 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N2CCOC3(CCC3)C2)CCO1 336879733 AXKUVKOVGWEESW-LLVKDONJSA-N 301.368 -0.290 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)NC2CCN(C3CC3)CC2)CCO1 336914359 LPVXKYPSFIPFKR-CYBMUJFWSA-N 314.411 -0.328 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N1CCS(=O)(=O)C[C@H]1C 337076132 SEYNTZVLKLNJPY-NXEZZACHSA-N 309.413 -0.558 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)NCC1CCN(CCO)CC1 337089755 ITPMAZJOMYKYKS-LBPRGKRZSA-N 318.443 -0.383 30 20 DBED CC(C)(C)C[C@H](O)CNS(=O)(=O)N1CCO[C@@H](C#N)C1 337099652 UPHFNNLCAVBBMU-QWRGUYRKSA-N 305.400 -0.158 30 20 DBED C[C@@H]1COCCN(C(=O)C(=O)Nc2ccn(CCC#N)n2)C1 338974753 OPFHCVQOWHKKNI-NSHDSACASA-N 305.338 0.230 30 20 DBED C[C@]1(C(N)=O)CCN(C(=O)C(=O)NCc2cccc(C#N)c2)C1 340146204 DDOAGFZKYBPCIA-INIZCTEOSA-N 314.345 -0.102 30 20 DBED C[C@H](O)C[C@H]1COCCN1C(=O)C(=O)Nc1ccc(C#N)cn1 340346379 VRFLDJOOSZYRNX-JQWIXIFHSA-N 318.333 -0.110 30 20 DBED COCCNS(=O)(=O)c1c[nH]c(C(=O)N[C@H](C)C#N)c1 340437610 XLYWAAKUUNJESG-MRVPVSSYSA-N 300.340 -0.419 30 20 DBED C=CCNc1nnc(S(=O)(=O)CC(=O)N(C)C2CC2)s1 352755259 YAFYZYALHTTXKM-UHFFFAOYSA-N 316.408 0.531 30 20 DBED C[C@H](CNC(=O)C(=O)NCCCCC#N)CN1CCOCC1 357996704 SJODPGZLRDPFIV-CYBMUJFWSA-N 310.398 -0.119 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H]2CCC[C@]23NC(=O)NC3=O)c1 359525579 NDHRZUVNWSNRBG-OTYXRUKQSA-N 301.306 -0.006 30 20 DBED C=CC[C@@H](CO)CNC(=O)N[C@H](CC)CNS(C)(=O)=O 458993937 WKYQCTAZGLFKGN-GHMZBOCLSA-N 307.416 -0.202 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N1CC[C@H](CS(C)(=O)=O)C1 490471572 PJIITWIBJZXSFD-QWRGUYRKSA-N 323.440 -0.311 30 20 DBED CN(CCN1CCOCC1)C(=O)C(=O)Nc1cccc(C#N)n1 564948128 VMQTVFNDFVAKOV-UHFFFAOYSA-N 317.349 -0.318 30 20 DBED COC(=O)[C@H](NC[C@@H](O)COc1ccc(C#N)cc1)[C@@H](C)O 567873053 MIGIERFRHRMMRZ-MPKXVKKWSA-N 308.334 -0.190 30 20 DBED N#CCNC(=O)CNC(=O)Nc1ccn(-c2ncccc2F)n1 588269983 PVEAQOGNYPBWPH-UHFFFAOYSA-N 317.284 0.168 30 20 DBED COCCN(CCC#N)S(=O)(=O)NC[C@](C)(CO)OC 594485017 OUALTEKNZIAMBW-LLVKDONJSA-N 309.388 -0.920 30 20 DBED CC#CCNC(=O)C(=O)Nc1cnn(C(C)(C)C(=O)OC)c1 595007608 MZBDJVYFCXCBDP-UHFFFAOYSA-N 306.322 -0.131 30 20 DBED C[C@@H](C(=O)N(CCC#N)CCN1CCOCC1)[C@H]1CCC(=O)N1 599230256 OEJPHAPOCHVOMA-ZIAGYGMSSA-N 322.409 -0.024 30 20 DBED C[C@H](N)[C@H]1CCCCN1C(=O)C(=O)N1CCN(CCC#N)CC1 601583341 PABOTDMUKLHHFR-UONOGXRCSA-N 321.425 -0.227 30 20 DBED CNS(=O)(=O)[C@H]1CCN(S(=O)(=O)CCCCC#N)C1 611003263 SJAPNCQFPONFNM-JTQLQIEISA-N 309.413 -0.366 30 20 DBED CC#CC[C@H](CO)NC(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O 645301175 UQZFRRXRTORCSD-YPMHNXCESA-N 319.365 -0.401 30 20 DBED CC#CC[C@H](CO)NS(=O)(=O)c1cccc(-n2cnnn2)c1 645883125 MQOGDXJADHLUMZ-LLVKDONJSA-N 321.362 -0.285 30 20 DBED CC#CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(N(C)C)nc1 646954010 OBJRQHLEFVWYNN-LBPRGKRZSA-N 304.350 -0.023 30 20 DBED NC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCC#CCO 655057955 AEQMMKHQBVQKLQ-CQSZACIVSA-N 314.345 -0.141 30 20 DBED N#Cc1cnn(C(=O)Cc2ccc(S(N)(=O)=O)cc2)c1N 729526572 CURZHIOIZSFJJD-UHFFFAOYSA-N 305.319 -0.133 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCS(=O)(=O)NC(C)(C)C 730276836 UUODPCBQUFXSEH-LBPRGKRZSA-N 315.439 -0.082 30 20 DBED C#C[C@@H](NC(=O)NC1CCN(CC(=O)NC)CC1)[C@H]1CCCO1 773192833 YTZBRUWDFRCWKE-ZIAGYGMSSA-N 322.409 -0.323 30 20 DBED C=CCN(CC(=O)OCC)C(=O)[C@@H](C)NS(=O)(=O)CC 816955857 NYVFKNFWAPJDSU-SNVBAGLBSA-N 306.384 -0.108 30 20 DBED C#C[C@@H](NC(=O)C(=O)N1CCC[C@@H]2COC[C@@H]21)[C@H]1CCCO1 817838876 UAGWMYCDQRHKOT-YIYPIFLZSA-N 306.362 -0.079 30 20 DBED C#CCN1CCN(C(=O)C2=C(C)N(C)c3nnnn3C2)CC1 825287885 WQXICKCUMPUBBU-UHFFFAOYSA-N 301.354 -0.826 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC(OCC(=O)O)CC1 844793939 VMIBDVKUJZCMDV-JTQLQIEISA-N 319.383 -0.112 30 20 DBED C/N=C(/NCCN1CCOCC1)NCCS(=O)(=O)C1CC1 849042869 GWPIJTGNDJSLCL-UHFFFAOYSA-N 318.443 -0.939 30 20 DBED C[C@H](OC(=O)C1(n2cnnn2)CC1)C(=O)NC1(C#N)CCC1 849996809 QNYAKDRSJCHWMB-VIFPVBQESA-N 304.310 -0.344 30 20 DBED C#CCN1CCN(C(=O)Cn2nnc(C(=O)OCC)c2C)CC1 853719015 ROMXASREECHMST-UHFFFAOYSA-N 319.365 -0.459 30 20 DBED C#CC[C@@H](CO)NC(=O)C(=O)N1CCN(c2ccccc2)CC1 854542435 QYGYKDYTZJDSII-AWEZNQCLSA-N 315.373 -0.164 30 20 DBED CCN(C(=O)C(=O)N1CCN(CCC#N)CC1)[C@@H]1CCNC1 887070238 JBKACTNLOFNOFI-CYBMUJFWSA-N 307.398 -0.745 30 20 DBED C#CC1(O)CN(C(=O)NCCS(=O)(=O)c2ccccc2)C1 929951721 ZCKURHBROCVEBE-UHFFFAOYSA-N 308.359 -0.150 30 20 DBED C=CCn1cc(C(=O)N2CC[C@@H](NC(=O)c3cnn[nH]3)C2)nn1 941451195 XMJZMWJVKAKVSM-SECBINFHSA-N 316.325 -0.773 30 20 DBED N#CCN1C[C@H]2CCN(C(=O)c3nnc(O)nc3O)CC[C@H]2C1 946662720 KOEMEXNRSQETJY-AOOOYVTPSA-N 318.337 -0.410 30 20 DBED CN1CCOC[C@@H]1C(=O)NC1CCN(C(=O)C#CC2CC2)CC1 946689958 BWYJLRGAAVVVJA-OAHLLOKOSA-N 319.405 -0.162 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@@H]2CCN2C(=O)c2cnon2)c1 949283861 SGIGQIAZRULELK-VIFPVBQESA-N 300.278 -0.086 30 20 DBED CC#CCN1CC(N(CC)C(=O)c2cn(C)c(=O)n(C)c2=O)C1 952390534 YHWDOEXIIVYUHN-UHFFFAOYSA-N 318.377 -0.746 30 20 DBED CN1C[C@H](C(=O)N(C)C2CN(C(=O)C#CC3CC3)C2)CC1=O 954489198 KWMBETMAXXKCOB-GFCCVEGCSA-N 303.362 -0.453 30 20 DBED O=C(NC[C@@H]1CCCN1C(=O)C#CC1CC1)[C@@H]1COCCO1 956004207 QALIYABMBCSRTR-KBPBESRZSA-N 306.362 -0.078 30 20 DBED C#Cc1ccc(C(=O)N2CCN(Cc3nnn(C)n3)CC2)cn1 957379065 YDGVLQJTWGAAMO-UHFFFAOYSA-N 311.349 -0.456 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2ccc(CNC(C)=O)o2)C1 958485407 LLBLXBHQGXHMQQ-GXTWGEPZSA-N 319.361 -0.429 30 20 DBED CC#CCN1C[C@@H](O)[C@@H](CNC(=O)c2c(OC)ccnc2O)C1 958596015 XWNSHWFTFUMDAS-NWDGAFQWSA-N 319.361 -0.158 30 20 DBED CC1(C)CC(=O)N(CC(=O)NC2[C@H]3CN(CC#N)C[C@H]23)C1=O 959898101 ZQDBGVOJQCVKJJ-UWVGGRQHSA-N 304.350 -0.659 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1[C@@H]2CN(CC(=O)NC)C[C@@H]21 959943956 FJWKWRDHPFIOJB-BIGJJFBESA-N 307.394 -0.240 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@H](NC(=O)c2ccnn2C)C1 961845718 UGPVPSWFXULQCT-PWSUYJOCSA-N 306.366 -0.066 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cocn2)C1 961893443 UKVTXEBONSZBJD-AAXDQBDMSA-N 321.333 -0.433 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H]2CN(C(=O)[C@H]3CCC(=O)N3)C[C@H]21 963825759 AKTSQQNTVKYIBD-WUHRBBMRSA-N 318.377 -0.126 30 20 DBED C[C@@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)c1cnn(C)n1)C2 969806594 UEOVNQRMRNAZEO-DCAQKATOSA-N 302.338 -0.210 30 20 DBED C[C@@H]1OCCO[C@@H]1C(=O)N1CC[C@@]2(CN(CC#N)CCO2)C1 972417512 YYQVYBWXUGHEDW-KCQAQPDRSA-N 309.366 -0.383 30 20 DBED C=CCn1cc(C(=O)N[C@H]2C[C@@H](NC(=O)c3nc[nH]n3)C2)nn1 974143470 UCSNJLIAAFCUGD-DTORHVGOSA-N 316.325 -0.727 30 20 DBED Cc1cnc2nc(C(=O)NC[C@H]3[C@@H]4CN(CC#N)C[C@H]34)nn2c1 978312237 QLFCPLLOCJFSON-CNDDSTCGSA-N 311.349 -0.136 30 20 DBED Cn1nnc2cc(C(=O)NC[C@H]3[C@@H]4CN(CC#N)C[C@H]34)cnc21 978494017 KROLBVZHGPMHTR-CNDDSTCGSA-N 311.349 -0.206 30 20 DBED C=CCCN1C[C@@H]2C(CNC(=O)[C@@H]3CCS(=O)(=O)N3)[C@H]2C1 979069516 BKANUXOCXYVRQZ-UPJWGTAASA-N 313.423 -0.452 30 20 DBED C#CCCN1C[C@@H]2C(CNC(=O)[C@@H]3COCCN3C(C)=O)[C@H]2C1 979087709 GRTVDZKZKFYCNZ-OAGGEKHMSA-N 319.405 -0.449 30 20 DBED C#CCN1CCCN(C(=O)CN2C(=O)CC(C)(C)C2=O)CC1 981161678 APSXTINDIPZBSR-UHFFFAOYSA-N 305.378 -0.061 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)Cc3nc[nH]n3)C2)cc1 997333982 FZKXEXSARJMCQU-UHFFFAOYSA-N 309.329 -0.031 30 20 DBED O=C(NCC1CN(C(=O)C#CC2CC2)C1)[C@@H]1CCCS1(=O)=O 1002277963 DCSUFHXSXQTBJQ-ZDUSSCGKSA-N 324.402 -0.448 30 20 DBED C#CCCN1CCC[C@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)C1 1009420565 XCQFJOPKPPSKML-LBPRGKRZSA-N 320.393 -0.079 30 20 DBED C=CCN1CC[C@H](N2CC[C@H](NC(=O)c3nc[nH]n3)C2)C1=O 1015871753 RZMIUHGMBKVHRS-QWRGUYRKSA-N 304.354 -0.604 30 20 DBED Cn1cc(C(=O)N[C@@H]2CC23CCN(CC#N)CC3)n(C)c1=O 1016990478 NKDZZEWJCYVFIM-GFCCVEGCSA-N 303.366 -0.168 30 20 DBED C[C@H](C#N)C(=O)N1CC=C(CNC(=O)[C@H]2CCNC(=O)C2)CC1 1017375929 TWZIDBMGYLRYAP-YPMHNXCESA-N 318.377 -0.053 30 20 DBED C=CCN1CC[C@H](N[C@H]2CCN(C(=O)Cc3cc[nH]n3)C2)C1=O 1018657800 REBCRZWBKYKZCS-KBPBESRZSA-N 317.393 -0.070 30 20 DBED C=CCN1CC[C@@H](N[C@H]2C[C@H](NC(=O)c3cnnn3C)C2)C1=O 1020118609 ZGHSDENOYRGZBT-IJLUTSLNSA-N 318.381 -0.548 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2c(F)cncc2F)C1 1024020241 MRHIUKGLRJHAQZ-AVPPRXQKSA-N 324.287 -0.179 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)[C@@H]3[C@H]4COC[C@H]43)C2)C1=O 1030811442 RTQRCYQHDBBEOR-RQJABVFESA-N 305.378 -0.534 30 20 DBED C#CCN1CCO[C@H](CNC(=O)c2c(C)c(C)nn(C)c2=O)C1 1035465248 DSTWSUHSBQASSA-CYBMUJFWSA-N 318.377 -0.539 30 20 DBED CC#CCN1CCO[C@H](CNC(=O)c2cccc(=O)n2C)C1 1035502943 VMHUDAKINQOLLQ-CYBMUJFWSA-N 303.362 -0.161 30 20 DBED COCCn1cc(C(=O)N2CC[C@@H]3[C@@H](CCN3CC#N)C2)nn1 1036708891 MDWMTNUKPUEENB-GXTWGEPZSA-N 318.381 -0.016 30 20 DBED C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1NC(=O)NC1=O 1039387789 LAGKVQFCZSWIPR-AGIUHOORSA-N 318.377 -0.327 30 20 DBED C[C@H]1[C@@H](N=c2cc[nH]c(C#N)n2)CCN1C(=O)[C@H]1C[C@H]1C(N)=O 1040249592 UPNDCVZSFXMQCJ-VLEAKVRGSA-N 314.349 -0.707 30 20 DBED Cc1n[nH]cc1C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1O 1041270775 QGDMRRYCQCNQSE-VXGBXAGGSA-N 313.321 -0.641 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)CNC(=O)C2CC2)C1 1041663204 DTZXPLSHQRVOEX-UHFFFAOYSA-N 309.366 -0.832 30 20 DBED C=C(C)CCC(=O)N1CC(O)(CNC(=O)CNC(=O)C2CC2)C1 1041668312 RUIIVMUSWODMJD-UHFFFAOYSA-N 323.393 -0.442 30 20 DBED C=C[C@@](C)(CC)C(=O)N1CC(O)(CNC(=O)CC(=O)NC)C1 1042727887 SCYPUKCGVFFKFX-AWEZNQCLSA-N 311.382 -0.586 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)c2c[nH]c(C(N)=O)c2)C1 1043134158 OKUCKJJNIMQTQV-UHFFFAOYSA-N 320.349 -0.617 30 20 DBED C[C@@H]1CN(C(=O)[C@@H]2COC(=O)N2)C[C@H]1Nc1ccc(C#N)nn1 1043155519 ZDOPWPOPJHPZOZ-IEBDPFPHSA-N 316.321 -0.285 30 20 DBED C=CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2cnco2)C1 1043578174 YSLBVZZVYVCMDD-JTQLQIEISA-N 309.322 -0.431 30 20 DBED C=CCn1cc(C(=O)N(C)C2CN(CC(=O)N(C)C)C2)nn1 1044021880 AXJRSYLQCLUREI-UHFFFAOYSA-N 306.370 -0.692 30 20 DBED C#Cc1ccc(C(=O)N(C)C2CN([C@@H](C)C(=O)NC)C2)nc1 1044203837 WBTFCZZSYFGRRA-NSHDSACASA-N 300.362 -0.046 30 20 DBED CCc1cc(C(=O)N2CC(O)(CNC(=O)[C@H](C)C#N)C2)nn1C 1045564258 FJQGANNBLNHXPR-SNVBAGLBSA-N 319.365 -0.555 30 20 DBED N#CCN1CC[C@@H](N2CCN(C(=O)C[C@@H]3CCNC3=O)CC2)C1 1046036013 YPBRCTDIWFKGLB-UONOGXRCSA-N 319.409 -0.745 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CN(C)C[C@@H]2C)C1 1046686128 ZSPLFUYTAGBWDB-QWHCGFSZSA-N 309.410 -0.160 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)[C@H](CC)NC(C)=O)C1 1047080885 RNWYNYREXXXLCR-LBPRGKRZSA-N 311.382 -0.443 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)Cn2cccc(C)c2=O)C1 1047379535 FXOFENAAGIAHOE-KBPBESRZSA-N 303.362 -0.707 30 20 DBED CN(C(=O)[C@H]1COc2ccccc2O1)[C@H]1CN(CC#N)C[C@@H]1O 1047618360 CQONNVHFFLSNBT-SLEUVZQESA-N 317.345 -0.147 30 20 DBED N#CCSCC(=O)N1C[C@H]2C[C@@H](NC(=O)C(N)=O)C[C@H]1C2 1047707949 IRLGUZCGHANRHR-IVZWLZJFSA-N 310.379 -0.776 30 20 DBED C#CCOCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C2CCC2)C1 1047984122 KMKGBFVQOMAJOR-KBPBESRZSA-N 308.378 -0.144 30 20 DBED C#CCN1C[C@H]2CN(C(=O)[C@@H]3Cc4cncn4C(=O)N3)C[C@H]2C1 1048952229 GCOXZZBSIFZPRQ-SCRDCRAPSA-N 313.361 -0.611 30 20 DBED CCCN(C)CCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)C#N)C1 1049395301 SMBIJBISQIKHQA-RDBSUJKOSA-N 324.425 -0.092 30 20 DBED C#CCCN1CCOC[C@@H]1CNC(=O)c1coc(C(N)=O)c1 1051040100 IRZNXPFIKCTYIB-LBPRGKRZSA-N 305.334 -0.168 30 20 DBED N#Cc1nccnc1N1C[C@H](n2ccnn2)[C@H](NC(=O)C2CC2)C1 1051396505 QKFYYAGBARTSCU-OLZOCXBDSA-N 324.348 -0.104 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@H](CNCc2nnnn2C2CC2)C1 1051494081 DMLIHYDKPGTXJE-CMPLNLGQSA-N 319.369 -0.515 30 20 DBED C#CCN1CCN([C@@H]2CCN(C(=O)CO[C@H]3CCOC3)C2)CC1 1052025550 GWFAHBDNFAPNFF-CVEARBPZSA-N 321.421 -0.356 30 20 DBED C=CCN1CCN([C@@H]2CCN(C(=O)[C@H]3CCCNC3=O)C2)CC1 1052037528 NFKZIWRCLSQULE-CABCVRRESA-N 320.437 -0.083 30 20 DBED C#CCN1CCN([C@H]2CCN(C(=O)C34CCN(CC3)C4)C2)CC1 1052109264 ZSRVXGISBQSISM-INIZCTEOSA-N 316.449 -0.066 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)C[C@@H]3CCNC3=O)CO2)C1 1053827570 CPRWYROOSOZZCU-QWHCGFSZSA-N 305.378 -0.505 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)[C@H]3CCCCN(C)C3=O)CO2)C1 1053980665 BGHXLZIOUCSGJP-UONOGXRCSA-N 319.405 -0.162 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)c3c[nH]c(C(N)=O)c3)CO2)C1 1054008004 QDWFQDNAYKEQAG-LBPRGKRZSA-N 316.361 -0.290 30 20 DBED C=CCCC(=O)N[C@@]1(CO)CCCN(C(=O)Cn2cncn2)C1 1055825961 TXZAXQRRJJTTGN-HNNXBMFYSA-N 321.381 -0.286 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@](CO)(NC(=O)c2cnnn2C)C1 1055918922 QSDZQKPQXWCHTL-HZMBPMFUSA-N 320.353 -0.942 30 20 DBED C[C@@H](C#N)C(=O)N[C@@]1(CO)CCCN(C(=O)C(C)(C)C(N)=O)C1 1056096431 IMSPQTWUGCWRDM-BONVTDFDSA-N 324.381 -0.873 30 20 DBED CNC(=O)CC(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)C#N 1056541073 RRFYIIPMSJUNFQ-SDDRHHMPSA-N 306.366 -0.126 30 20 DBED N#Cc1nccnc1N[C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1 1056590733 GSQWVZOMAHHPGO-NXEZZACHSA-N 300.322 -0.360 30 20 DBED Cc1cc(C(=O)N(CCO)CCNC(=O)C#CC(C)C)n(C)n1 1057106592 RKRAXLTXQMLYJM-UHFFFAOYSA-N 320.393 -0.061 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)[C@H]1CCNC(=O)C1 1057171021 KTGBUVZFRNOQDD-LBPRGKRZSA-N 311.382 -0.584 30 20 DBED COC[C@@H](C)C(=O)NCCN(CCO)C(=O)c1c[nH]c(C#N)c1 1057391500 AHZHSZBUPKDGPG-LLVKDONJSA-N 322.365 -0.280 30 20 DBED C#CCNC(=O)CC(=O)N(CCO)CCNC(=O)[C@@H]1C[C@H]1CC 1057396224 ZPJKTOGGIOKCGA-CHWSQXEVSA-N 323.393 -0.891 30 20 DBED C=C[C@@](C)(O)CC(=O)N(CCO)CCNC(=O)[C@@H](CC)OC 1057450636 VTJFLQPPSNJKOH-IUODEOHRSA-N 316.398 -0.324 30 20 DBED CC(C)(O)CC(=O)N(CCO)CCNC(=O)c1cc(C#N)c[nH]1 1057460816 NVDVLNRXRDQHBU-UHFFFAOYSA-N 322.365 -0.402 30 20 DBED C=CCO[C@H](C)C(=O)N(CCO)CCNC(=O)[C@@H](CC)OC 1057921624 LXXNKHUWXZQZPK-CHWSQXEVSA-N 316.398 -0.060 30 20 DBED CCN(C)C(C)(C)C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N 1057942430 GAPOKQVPVSRNTQ-LBPRGKRZSA-N 312.414 -0.187 30 20 DBED Cc1cc(C)n(CC(=O)N(CCO)CCNC(=O)[C@H](C)C#N)n1 1058079364 KXEUPMYLWUCGHX-LLVKDONJSA-N 321.381 -0.403 30 20 DBED N#Cc1ccc(N2CC[C@@H](NC(=O)CN3CCCC3=O)C2)nn1 1058308165 KBWHHGPNDFITQC-GFCCVEGCSA-N 314.349 -0.334 30 20 DBED CS(=O)(=O)CC(=O)N1CC[C@H](N=c2cc[nH]cc2C#N)C1 1058848104 YEEGWACCVTWKJX-NSHDSACASA-N 308.363 -0.567 30 20 DBED CN1C[C@@H](C(=O)N2CC[C@H](N=c3cc[nH]c(C#N)n3)C2)CC1=O 1059097952 WCCSNTWRHXTMNY-QWRGUYRKSA-N 314.349 -0.739 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@@H](CCNC(=O)CNC(C)=O)C1 1059646608 UTSMXBFVEANIKS-GXTWGEPZSA-N 323.393 -0.484 30 20 DBED N#Cc1nc(=N[C@H]2C[C@@H](NC(=O)c3c[nH]c(=O)cn3)C2)cc[nH]1 1059799017 RRAMIMFTNPKLRE-DTORHVGOSA-N 311.305 -0.774 30 20 DBED CC(=O)N[C@@H](C)C(=O)NC[C@H]1COCCN1C(=O)C#CC(C)C 1061252290 FKQLIDFVSMSWNS-JSGCOSHPSA-N 323.393 -0.486 30 20 DBED C=CCCC(=O)NC[C@H]1COCCN1C(=O)CC(=O)N(C)C 1061411146 YAIYYGTUDBLQEO-LBPRGKRZSA-N 311.382 -0.226 30 20 DBED C#CCCCC(=O)N1CCOC[C@@H]1CNC(=O)CNC(=O)CC 1061428753 MACCMHIZMMBFSD-ZDUSSCGKSA-N 323.393 -0.340 30 20 DBED C=CCOCC(=O)N1CCOC[C@H]1CNC(=O)Cc1cc[nH]n1 1061457263 BJTOMDHVIQEGGY-CYBMUJFWSA-N 322.365 -0.502 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H]1COCCN1C(=O)COCC=C 1061585135 ROPZCMDITSJGDP-ZIAGYGMSSA-N 324.377 -0.429 30 20 DBED CN(C[C@H]1CCN(C(=O)C(N)=O)C1)c1ncc(C#N)cc1F 1062165159 LUHIQJSNXOPLQJ-SECBINFHSA-N 305.313 -0.138 30 20 DBED N#Cc1ccc(N2CCO[C@H](CNC(=O)c3cnon3)C2)nn1 1063638947 HNSDJRULMIRFOW-SNVBAGLBSA-N 315.293 -0.634 30 20 DBED CC[C@H]1CN(C(=O)C(N)=O)CC[C@@H]1N=c1cc[nH]cc1C#N 1064413433 VHAZIJDNWNYIFV-GWCFXTLKSA-N 301.350 -0.101 30 20 DBED O=C(Cn1ccnc1)NC[C@H]1CN(C(=O)C#CC2CC2)CCO1 1065136385 BDJOKUAMLHPHMZ-AWEZNQCLSA-N 316.361 -0.360 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(C(=O)c2nc[nH]n2)CCO1 1065447564 QKXQTJXCPGESRL-NSHDSACASA-N 303.322 -0.825 30 20 DBED N#Cc1cnc(N2C[C@H]3C[C@H](NC(=O)C(N)=O)C[C@H]2C3)cn1 1065553767 KHEYZXADZLPDDQ-ATZCPNFKSA-N 300.322 -0.693 30 20 DBED C=CCOCC(=O)N(C)CCCN(C)C(=O)[C@H]1CNC(=O)N1 1067000939 GQDMJVNYWCQULO-LLVKDONJSA-N 312.370 -0.823 30 20 DBED Cn1ncc(C(=O)N2C[C@H]3CC[C@H]2CN3c2ccc(C#N)nn2)n1 1068046779 KELVJVWYTLUOIG-NEPJUHHUSA-N 324.348 -0.030 30 20 DBED C=CC(C)(C)C(=O)NC[C@H]1CCC2(CN(C(=O)C(N)=O)C2)O1 1068600296 FYDFEIJZHRHSBB-SNVBAGLBSA-N 309.366 -0.440 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CCC2(CN(C(=O)c3cnon3)C2)O1 1068620202 JBLKUSZBPXCIIV-VHSXEESVSA-N 319.321 -0.281 30 20 DBED C=CCCC(=O)N[C@H]1COC2(C1)CN(C(=O)Cn1ncnn1)C2 1068751735 CCQKBVTYVPJURV-LLVKDONJSA-N 320.353 -0.875 30 20 DBED N#CCN1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 1070426818 ZFOMPHUBAMLOPS-JLLWLGSASA-N 316.365 -0.540 30 20 DBED C#CCN[C@@H]1CN(C(=O)Cc2nc[nH]n2)C[C@H]1c1cn(C)cn1 1070552965 SIELDARCGLGMNZ-WCQYABFASA-N 313.365 -0.702 30 20 DBED Cn1cncc1[C@@H]1CN(C(=O)c2ccnn2C)C[C@H]1NCC#N 1070628533 CMGXBDWDSVRALW-VXGBXAGGSA-N 313.365 -0.125 30 20 DBED N#CCN1CCNC(=O)CCN(C(=O)c2ccnc(O)c2)CC1 1070954154 PSLNZXHSSKICBT-UHFFFAOYSA-N 317.349 -0.425 30 20 DBED N#CCN[C@@H]1CCO[C@H]1C1CCN(C(=O)c2nc[nH]n2)CC1 1071094830 ZQQSPXHWPCORGD-NEPJUHHUSA-N 304.354 -0.072 30 20 DBED C#CCN1CC[C@]2(C1)CN(C(=O)c1c[nH]c(=O)cn1)C[C@@H](C)O2 1071201778 KSRBXZCXCQYHGZ-WBMJQRKESA-N 316.361 -0.292 30 20 DBED C=CCN1CC[C@H](N(Cc2cn(C)c(=O)n(C)c2=O)C(C)=O)C1 1072134751 ZEHSBMHDPMKSJH-AWEZNQCLSA-N 320.393 -0.307 30 20 DBED C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)CC[C@H]1NC(=O)CC(N)=O 1073840204 RGFIXWHUVUTNPN-MWLCHTKSSA-N 317.349 -0.271 30 20 DBED C#CCCN1CCO[C@H]2CCN(C(=O)Cn3nccn3)C[C@@H]21 1074256199 QPMKLPZEHPDTPG-KBPBESRZSA-N 303.366 -0.397 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)c3ccc(=O)n(C)n3)C[C@H]21 1074400640 UVNVWFMXKVNZGM-ZIAGYGMSSA-N 316.361 -0.671 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)c1coc(C)n1 1076218916 LMLJXIYRJCKCMB-JTQLQIEISA-N 320.349 -0.253 30 20 DBED Cc1noc(CN2C[C@@H](O)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)n1 1076897141 HGJGEFXLZABMOT-VXGBXAGGSA-N 316.321 -0.447 30 20 DBED Cc1cn2cc(CC(=O)N[C@@H]3CN(CC#N)C[C@H]3O)nc2s1 1077299634 LAWKLXCLMHGSAB-VXGBXAGGSA-N 319.390 -0.068 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)c2cnn(CCN(C)C)c2)C1 1077818344 OSJRFNNZBJXKMO-HUUCEWRRSA-N 321.425 -0.204 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2ccc(=O)n(CCC)n2)C1 1078163458 OICKKPKRIHVSRZ-CHWSQXEVSA-N 304.350 -0.939 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C2CC2)N2CCOCC2)C1 1078214208 WWTLVPXATHRIGI-BZUAXINKSA-N 321.421 -0.718 30 20 DBED Cc1nc(CNC[C@@H]2CN(C(=O)[C@@H](C)C#N)CCCO2)n[nH]1 1078357961 FVCQCRBKSVRWAV-CMPLNLGQSA-N 306.370 -0.020 30 20 DBED CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)[C@@H]2CN(C)C(=O)N2)C1 1080419612 CNDIKRNGPSFQGO-KOLCDFICSA-N 307.354 -0.771 30 20 DBED C#CCN1C[C@@H](NC(=O)C2(n3cnnn3)CCOCC2)[C@H](C)C1 1080593049 GNLLHKSGWDTHEZ-CHWSQXEVSA-N 318.381 -0.752 30 20 DBED CCOCCC(=O)NC[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1081342371 XZFVFCCQTYSOPW-UONOGXRCSA-N 308.378 -0.238 30 20 DBED C#CCCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)COCC=C)C1 1081346872 NLYSVKSNQSZAHH-UONOGXRCSA-N 308.378 -0.072 30 20 DBED C#CCCN1C[C@@H](NC(=O)[C@@H]2CCCCN2C(N)=O)[C@H](OC)C1 1082319771 JAHIEEZVSUCLOY-HZSPNIEDSA-N 322.409 -0.242 30 20 DBED C=CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CCS(=O)(=O)C1 1083135513 HVJOWDWLALKXPN-RWMBFGLXSA-N 314.407 -0.481 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)C(=O)N1CC[C@@H](C)C1 1083244145 KNTMSCKZDAZEMT-HZSPNIEDSA-N 305.378 -0.600 30 20 DBED CN(C[C@@H]1CCN1CC#N)C(=O)[C@@H]1CN2CC3CC2(CO1)C3 1085731454 AZPUPOMEHDSANB-WJEHIRDRSA-N 304.394 -0.094 30 20 DBED CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCN(C)S2(=O)=O)CCN1CC#N 1087758174 FPAYSQWXZOTHQX-TUAOUCFPSA-N 314.411 -0.487 30 20 DBED C=CCN1C[C@H](NC(=O)Cn2cnnn2)CC2(CCOCC2)C1 1089923748 HLJUGAZREKFESY-CYBMUJFWSA-N 320.397 -0.154 30 20 DBED N#CCN1CC[C@H](NC(=O)c2cnc3[nH]cnc3c2)[C@H](O)C1 1090300152 JLPYHXVHKZHHSH-CMPLNLGQSA-N 300.322 -0.354 30 20 DBED C#CCCN1CC[C@H](NC(=O)Cc2cn(CC)nn2)[C@@H](O)C1 1090443538 YGCPQKSERCHEAN-KBPBESRZSA-N 305.382 -0.585 30 20 DBED CCC(=O)NCC(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1C 1090667929 FIEDMCAAQQOIEG-ZYHUDNBSSA-N 316.365 -0.185 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2cc(C(N)=O)c[nH]2)[C@@H](O)C1 1090675917 LOGJGLSENFBWLY-AAEUAGOBSA-N 304.350 -0.698 30 20 DBED N#Cc1nccnc1N[C@H]1C[C@H](CNC(=O)Cn2nccn2)C1 1091482581 PBVCOQCYHOKWID-XYPYZODXSA-N 312.337 -0.053 30 20 DBED C[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1CNC(=O)CC(N)=O 1092358726 YYKQHIIQRQFKPF-NXEZZACHSA-N 302.338 -0.588 30 20 DBED N#Cc1cncc(N2C[C@H]3[C@H](NC(=O)CCn4cncn4)[C@H]3C2)n1 1093232129 NRFCNGQKLWCKDV-JYAVWHMHSA-N 324.348 -0.419 30 20 DBED CC(C)[C@@H]1N(C(=O)CC(N)=O)C[C@]12C[C@@H](O)[C@H](NCC#N)C2 1093437422 RHGCUPLJILTLBN-FIXIBIHLSA-N 308.382 -0.649 30 20 DBED CC(C)[C@@H]1N(C(=O)c2cnn[nH]2)C[C@@]12C[C@@H](O)[C@H](NCC#N)C2 1093460225 YLDKGUMGIOWSES-IKVITTDRSA-N 318.381 -0.092 30 20 DBED C#CCNC(=O)CC(=O)NCCNc1ccc([N+](=O)[O-])cn1 1093558183 FZBQMHSRLWCITJ-UHFFFAOYSA-N 305.294 -0.343 30 20 DBED CN1C(=O)CCC[C@@H]1C(=O)NCCN=c1cc[nH]c(C#N)n1 1093786373 VPRASYZWDMVBNJ-SNVBAGLBSA-N 302.338 -0.691 30 20 DBED CCNC(=O)NC(C)(C)C(=O)NCCNc1cnc(C#N)cn1 1093869432 OKFKKMPEGMWMLJ-UHFFFAOYSA-N 319.369 -0.026 30 20 DBED N#Cc1cncc(NCCNC(=O)c2ccc3nnnn3c2)n1 1093986514 SXFHSMSWIXMSHW-UHFFFAOYSA-N 309.293 -0.372 30 20 DBED N#Cc1ccc(NCCNC(=O)CCCCNC(N)=O)nn1 1093989047 JXLQCFSOMLSDLU-UHFFFAOYSA-N 305.342 -0.285 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)[C@]3(C)CCC(=O)N3)CC2=O)C1 1094777434 UODUPCXWLQFFQF-ZBEGNZNMSA-N 320.393 -0.758 30 20 DBED N#Cc1ccc(NCCCNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)cn1 1094781118 RAZZUDNXPSWBAQ-QWHCGFSZSA-N 317.349 -0.096 30 20 DBED CC(=O)N[C@@H](C)C(=O)N[C@H]1CCCN(c2ccc(C#N)nn2)C1 1096133968 AKSZMUYTAGBKKE-GWCFXTLKSA-N 316.365 -0.042 30 20 DBED C[C@H](NC(N)=O)C(=O)N[C@@H]1CCN(c2ccc(C#N)nc2)C1 1096356417 ULKQTAHHJPQXGW-GXSJLCMTSA-N 302.338 -0.295 30 20 DBED CCNC(=O)CCC(=O)N[C@H]1C[C@H](N=c2cc[nH]c(C#N)n2)C1 1097009774 XNRRKVCDWRAEGX-XYPYZODXSA-N 316.365 -0.254 30 20 DBED N#Cc1cnc(N[C@H]2C[C@H](NC(=O)CCNC(N)=O)C2)cn1 1097030425 BZAVKYXUCLPZNA-KYZUINATSA-N 303.326 -0.534 30 20 DBED C[C@H](CNC(=O)COCCN(C)C)Nc1cnc(C#N)cn1 1097953951 MRNNVFCRDJIJKB-LLVKDONJSA-N 306.370 -0.157 30 20 DBED C[C@@H](CNC(=O)C(=O)NCC1CC1)Nc1cncc(C#N)n1 1098012267 DBHRKQWDEYGUHO-VIFPVBQESA-N 302.338 -0.209 30 20 DBED CCn1ncc(C(=O)N2CCC(N(CC#N)CCO)CC2)n1 1098362945 XHEGQECSVSJWGE-UHFFFAOYSA-N 306.370 -0.280 30 20 DBED C=CCNCc1cn([C@@H]2CCN(C(=O)Cn3cncn3)C2)nn1 1098780604 XNEVRTADDCIMFR-CYBMUJFWSA-N 316.369 -0.381 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)C(CC)CC)[C@@H](O)C1 1099696365 XHRIUADRSVNZPO-KBPBESRZSA-N 309.410 -0.277 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)C#CC2CC2)[C@H](O)C1 1099813245 MKCIDIZAMRGDAH-ZIAGYGMSSA-N 305.378 -0.747 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCN(CCOCC=C)C[C@@H]1O 1099835670 NAADXXRBTKBADE-CABCVRRESA-N 310.394 -0.220 30 20 DBED C#CCN1CC[C@@H](NC(=O)CS(=O)(=O)CC(C)C)[C@@H](O)C1 1099894821 QSMDJFHHPKNWLV-OLZOCXBDSA-N 316.423 -0.758 30 20 DBED C=CCN1CC[C@H](NC(=O)CCCS(C)(=O)=O)[C@@H](O)C1 1100031518 GPYAHGKTRQKHJU-RYUDHWBXSA-N 304.412 -0.451 30 20 DBED C=CCCOCC(=O)N[C@H]1CCN(Cc2cnon2)C[C@@H]1O 1100138814 LBOCTYTVPYOEEX-STQMWFEESA-N 310.354 -0.286 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)c2n[nH]c(C)c2O)C1 1100245234 YZYXSBUIIHBJGA-UHFFFAOYSA-N 319.365 -0.729 30 20 DBED C=C(C)CNC1CC(CNC(=O)CN2CCC(=O)NC2=O)C1 1100836751 JBGFATSBQJPIBD-UHFFFAOYSA-N 308.382 -0.011 30 20 DBED CN(CCNc1ccc(C#N)nn1)C(=O)C[C@H]1CCNC1=O 1101823152 PQGFUGXDKVJKKE-SNVBAGLBSA-N 302.338 -0.255 30 20 DBED CC(=O)NCC(=O)N(C)[C@@H]1CCN(c2ccc(C#N)nn2)C1 1102669978 MOXYCBNIEBMBAC-GFCCVEGCSA-N 302.338 -0.479 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H](C)CNc1nccc(OC)n1 1103956332 OPBXFHYRVHTKIT-LLVKDONJSA-N 319.365 -0.211 30 20 DBED C[C@@H](CNC(=O)CCn1cnnn1)CNc1nccnc1C#N 1104047810 UAWSTXKCIHBBCD-JTQLQIEISA-N 315.341 -0.411 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)c1cnnc(O)c1 1104114603 IKVCUASHCLYFCI-VIFPVBQESA-N 313.321 -0.256 30 20 DBED C[C@@H](CNC(=O)C1(C(N)=O)CC1)CNc1nccnc1C#N 1104191710 INEYSVBWBAPLTJ-SECBINFHSA-N 302.338 -0.222 30 20 DBED COCCC(=O)NC[C@H]1CN(c2cncc(C#N)n2)CCO1 1104284771 NGYIEBLGDQMKCA-LBPRGKRZSA-N 305.338 -0.294 30 20 DBED CN(C)CCC(=O)NC[C@@H]1CN(c2ccnc(C#N)n2)CCO1 1104347029 UJKIINXXDYIZIG-GFCCVEGCSA-N 318.381 -0.379 30 20 DBED C[C@@H](CNc1cncc(C#N)n1)N(C)C(=O)Cn1cnnn1 1104447361 ACMJGXKDFUUERY-VIFPVBQESA-N 301.314 -0.706 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)c1cnn(C)c1N 1104535015 IURBNSRTDRMWMN-SECBINFHSA-N 314.353 -0.342 30 20 DBED CC(=O)N1CC(C(=O)N(C)CCN(C)c2ccc(C#N)nn2)C1 1105381827 QFYZWEVFNSKDAF-UHFFFAOYSA-N 316.365 -0.279 30 20 DBED CN(CCN(C)c1ccc(C#N)nn1)C(=O)[C@@H]1CC[C@H]1C(N)=O 1105521401 ITBGMKKCMQUKJT-VXGBXAGGSA-N 316.365 -0.246 30 20 DBED Cc1ncc(C(=O)NC[C@@H](O)CNc2cncc(C#N)n2)[nH]1 1105750189 IAGXBNJENFSNCH-JTQLQIEISA-N 301.310 -0.417 30 20 DBED COCc1nc(NC[C@@H](O)CNC(=O)[C@@H](C)C#N)cc(OC)n1 1105774422 RVERASMECZJQGK-VHSXEESVSA-N 323.353 -0.320 30 20 DBED N#Cc1cnc(NC[C@H](O)CNC(=O)c2ccc(O)nc2)cn1 1105848937 YVQJBQSXYOZDRQ-NSHDSACASA-N 314.305 -0.348 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](O)CNC(=O)CN2CCCC2)n1 1105856226 PYFQZGGGFGFGGE-ZDUSSCGKSA-N 318.381 -0.359 30 20 DBED Cc1cc(C#N)nc(NC[C@H](O)CNC(=O)CCN(C)C)n1 1106085114 NYDMNJLRIWLGPL-GFCCVEGCSA-N 306.370 -0.503 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)CCNc1nccnc1C#N 1106285639 VDTUOLUVZZYTLQ-LLVKDONJSA-N 314.349 -0.206 30 20 DBED C[C@H](CN=c1cc[nH]cc1C#N)NC(=O)[C@@H]1CN(C)CCO1 1107667615 ZOWFNIFMJQUKAI-RISCZKNCSA-N 303.366 -0.378 30 20 DBED C=C(C)CCN1CCO[C@](C)(CNC(=O)Cn2cnnn2)C1 1107728219 VTZNPOIPBHPHAW-CQSZACIVSA-N 308.386 -0.154 30 20 DBED C=CCNC(=O)CN1CCO[C@](C)(CNC(=O)c2ncc[nH]2)C1 1107929344 QCZDXLUIPTYWPE-OAHLLOKOSA-N 321.381 -0.467 30 20 DBED Cn1cc(OCC(=O)NC[C@]2(C)CN(CC#N)CCO2)cn1 1108162339 SHDXHWPUMSUVLL-CQSZACIVSA-N 307.354 -0.470 30 20 DBED C[C@@H](CNc1cncc(C#N)n1)NC(=O)[C@@H]1CCCN1C(N)=O 1108425701 GRYZJNMXNPCYFO-ONGXEEELSA-N 317.353 -0.192 30 20 DBED C[C@H](OCC1CC1)C(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1 1108521782 JMDARSDCJIUPCN-AAEUAGOBSA-N 320.393 -0.274 30 20 DBED C[C@H](CN(C)c1ccc(C#N)nn1)NC(=O)[C@@H]1CCC(=O)N1 1109026939 APVLHVGQKHLLHE-KOLCDFICSA-N 302.338 -0.432 30 20 DBED CC(=O)N(C)CC(=O)NCC1(Nc2ccc(C#N)nn2)CC1 1110065273 HLPQJFBQKZRYQU-UHFFFAOYSA-N 302.338 -0.113 30 20 DBED CNC(=O)CC(=O)NCC1(Nc2nc(C)cc(C#N)n2)CC1 1110103614 DRJUMJKFZPKKDH-UHFFFAOYSA-N 302.338 -0.147 30 20 DBED N#Cc1cncc(NC2(CNC(=O)[C@@H]3COC(=O)N3)CC2)n1 1110121894 QYHFGYCNDVJLTR-VIFPVBQESA-N 302.294 -0.483 30 20 DBED N#Cc1nccnc1NC1(CNC(=O)C[C@@H]2CCNC2=O)CC1 1110250357 FXBVFFMBWBOCJK-JTQLQIEISA-N 314.349 -0.065 30 20 DBED Cn1cnc(C(=O)N(CCO)CCNc2ccc(C#N)nn2)c1 1111456027 OBKCWXNFKRSOAB-UHFFFAOYSA-N 315.337 -0.372 30 20 DBED N#Cc1ccc(NCCN(CCO)C(=O)c2ccncn2)nn1 1111499971 IOBHFDHTNXASDT-UHFFFAOYSA-N 313.321 -0.315 30 20 DBED N#Cc1nccc(N2CCC[C@@H](NC(=O)CC(N)=O)CC2)n1 1111977833 NSKDWIDOZBLXPT-SNVBAGLBSA-N 302.338 -0.301 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C(F)(F)F 1112156105 ZQHFSUAVYFHENX-RKDXNWHRSA-N 307.272 -0.900 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(c2nccc(OC)n2)C[C@@H]1O 1112701913 MABCSGSJVDXKIL-NEPJUHHUSA-N 322.365 -0.399 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)CNC(=O)CC)CC1 1112724077 MRQVVCSYXCJSLC-GFCCVEGCSA-N 310.398 -0.653 30 20 DBED C#CCOCCC(=O)NC[C@H]1CN(c2nccnc2F)C[C@@H]1O 1112739425 YVPMDNOFXCWRJA-RYUDHWBXSA-N 322.340 -0.431 30 20 DBED CO[C@@H]1CCC[C@H](C(=O)N2CCN(CC(=O)NCC#N)CC2)C1 1113270257 IEZXANVTRSIZFY-UONOGXRCSA-N 322.409 -0.024 30 20 DBED C[C@@H](CNC(=O)[C@@H]1COCCO1)N(C)c1nccnc1C#N 1113501947 QVADHTLWKXKWMV-JQWIXIFHSA-N 305.338 -0.295 30 20 DBED C[C@H](CNC(=O)C1CS(=O)(=O)C1)N(C)c1cnc(C#N)cn1 1113734011 UBPMOYFRWRWVKX-SECBINFHSA-N 323.378 -0.666 30 20 DBED C=CCNC(=O)NC(=O)CN1C[C@H]2C(NC(=O)C(C)C)[C@@H]2C1 1113863972 DUGJQLFBRNEGLT-GHMZBOCLSA-N 308.382 -0.299 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@H]2CN(Cc3coc(C)n3)C[C@H]12 1114160390 XHOWHUHGIMKUSA-STQMWFEESA-N 316.361 -0.331 30 20 DBED C#CCOCCC(=O)N[C@H]1[C@@H]2CN(CCNC(=O)C3CC3)C[C@@H]21 1114268022 DQBRBDQHFDZSEY-FOLVSLTJSA-N 319.405 -0.401 30 20 DBED Cc1cc(=NC[C@H]2C[C@H](NC(=O)CC(N)=O)C2)c(C#N)c[nH]1 1114742870 URZUSIDKZXDZOY-UMSPYCQHSA-N 301.350 -0.134 30 20 DBED CC#CCN1C[C@H]2[C@H](NC(=O)COCc3nncn3C)[C@H]2C1 1115055621 KAKBZYKKLCRBBQ-JYAVWHMHSA-N 303.366 -0.599 30 20 DBED C[C@H](CN(C)C(=O)CN1CCOCC1)Nc1ccc(C#N)nn1 1115677803 FRLZXXCLEJKYIN-GFCCVEGCSA-N 318.381 -0.061 30 20 DBED C[C@@H](C#N)CNC(=O)NCCNS(=O)(=O)Cc1ccon1 1116526800 DDCZTSSQINPOKE-VIFPVBQESA-N 315.355 -0.447 30 20 DBED C[C@H](CN(C)C(=O)[C@H]1CNC(=O)N1)Nc1ccc(C#N)nc1 1120634456 MHDCOUQRSAFLRH-BXKDBHETSA-N 302.338 -0.107 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)[C@H]2CCNC(=O)C2)cn1 1121310863 LYTXGAFLTZZWIJ-GXFFZTMASA-N 317.349 -0.632 30 20 DBED N#Cc1c[nH]ccc1=N[C@H](CO)CNC(=O)c1ncccc1O 1121339693 MKBWWDGYAIAOAN-NSHDSACASA-N 313.317 -0.321 30 20 DBED Cc1cc(=N[C@H](CO)CNC(=O)c2cncnc2)c(C#N)c[nH]1 1121339911 OMUPXJUINLVRQC-ZDUSSCGKSA-N 312.333 -0.324 30 20 DBED C[C@@H](C(=O)NC[C@@H](CO)N=c1cc[nH]cc1C#N)n1cncn1 1121346678 SILOOXKLBHIHFX-JQWIXIFHSA-N 315.337 -0.883 30 20 DBED CCN(CC)CC(=O)NC[C@@H](CO)Nc1cncc(C#N)n1 1121668369 HFZZLNXQLNQPBG-LBPRGKRZSA-N 306.370 -0.421 30 20 DBED COCCc1nc(CNCCNC(=O)CSCC#N)no1 1123792118 JAOLTGLDJAUERT-UHFFFAOYSA-N 313.383 -0.279 30 20 DBED CN(C[C@H](O)CNc1cncc(C#N)n1)C(=O)c1cnccn1 1124149377 JRSOOMJSNDJRDB-LLVKDONJSA-N 313.321 -0.317 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)c2cnnc(C)c2)C1=O 1126276199 XZGLQSIVDCNHFH-CYBMUJFWSA-N 303.366 -0.109 30 20 DBED C#CCCCC(=O)NCCNCc1cc(=O)n(C)c(=O)n1C 1126355681 GCGBCBFXADGFMK-UHFFFAOYSA-N 306.366 -0.907 30 20 DBED C#CCOCCC(=O)NCCN[C@H](C)C(=O)NCCCOC 1127027789 ZOFAAAIEIQQGEV-CYBMUJFWSA-N 313.398 -0.727 30 20 DBED C#CCN1CCn2ncc(CNC(=O)CN3CCCC3=O)c2C1 1128224627 VCOAWLDQAMBJKM-UHFFFAOYSA-N 315.377 -0.430 30 20 DBED CC[C@H](C(N)=O)N1CCn2ncc(CNC(=O)[C@H](C)C#N)c2C1 1128264680 PGVGKBAZIJUEMY-ZYHUDNBSSA-N 318.381 -0.262 30 20 DBED C=CCN1CCn2ncc(CNC(=O)[C@H](C)NC(N)=O)c2C1 1128311748 ABKUXVIHEQEQRY-JTQLQIEISA-N 306.370 -0.442 30 20 DBED COCCCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H](C)C#N)C1 1128830393 RLQDQVHHGPQWFI-UPJWGTAASA-N 306.370 -0.184 30 20 DBED C=CCCCCCN[C@@H]1CN(C(=O)C(N)=O)C[C@@H]1n1ccnn1 1129985447 XQVJFPLZLUPDJL-OLZOCXBDSA-N 320.397 -0.149 30 20 DBED C=CCN1C[C@H]2C[C@@H]3CN(C(=O)CNC(=O)OC)C[C@@]3(C1)O2 1131190044 ABWAUPLZCAFXBL-LALPHHSUSA-N 309.366 -0.170 30 20 DBED CCC(=O)NCC(=O)N1C[C@H](C)O[C@]2(CCN(CC#N)C2)C1 1131645966 NNPLXLOYSKFMOI-WFASDCNBSA-N 308.382 -0.272 30 20 DBED C[C@H]1CC[C@@H](NC(=O)c2ccnnc2)CN1CC(=O)NCC#N 1132323011 WUXZMVJPHFCNHN-WCQYABFASA-N 316.365 -0.301 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1ccc2nonc2c1 1133203533 LMRRPEUVBMSPBK-UHFFFAOYSA-N 303.322 -0.156 30 20 DBED C#CCN[C@H](C)C[C@@H](C)NC(=O)Cn1ccc(=O)n(C)c1=O 1134539803 FJKLBIXHDNECAK-VXGBXAGGSA-N 306.366 -0.947 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)c1ncccn1 1135610136 XVVHQBOSLTXUCZ-UHFFFAOYSA-N 303.366 -0.003 30 20 DBED Cc1nc[nH]c1C(=O)N[C@@H](C)C[C@H](C)NCC(=O)NCC#N 1146814189 PHKYRWJULAHCIO-UWVGGRQHSA-N 306.370 -0.156 30 20 DBED COCC#CCN1CCC2(C1)CN(C(=O)C[C@@H](C)NC(N)=O)C2 1147564269 AMQUCWYMMFRBSJ-CYBMUJFWSA-N 322.409 -0.383 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H]1CN(CC(=C)C)CCCO1 1149589596 RRZGCYUKRYRNDF-AWEZNQCLSA-N 307.394 -0.091 30 20 DBED C#CCNC(=O)CN1CCCO[C@@H](CNC(=O)C#CC(C)C)C1 1149674090 SMSOCJOWXHTBHQ-HNNXBMFYSA-N 319.405 -0.398 30 20 DBED C=CCN1CCCO[C@@H](CNC(=O)CN2CC(=O)N(C)C2=O)C1 1150578984 HPNMYWFQMVTWQT-LBPRGKRZSA-N 324.381 -0.727 30 20 DBED CCN(C[C@H](O)CN1CCCC1=O)[C@H](C)CNC(=O)[C@H](C)C#N 1152412589 BXNHXBANVPJVCH-MCIONIFRSA-N 324.425 -0.044 30 20 DBED C#CCN(CC)[C@H](C)CNC(=O)[C@@H](C)NS(=O)(=O)CC 1153491205 IDWQMQVJKIOYGO-VXGBXAGGSA-N 303.428 -0.226 30 20 DBED COCC#CCN(C)C[C@H]1CCCCN1C(=O)c1nnn(C)n1 1158336973 VNCXTLXNHBZIIE-CYBMUJFWSA-N 320.397 -0.214 30 20 DBED CC#CCN(C)C[C@H]1CCCCN1C(=O)CS(=O)(=O)NC 1158885849 FSQRJBTZVBRUJS-CYBMUJFWSA-N 315.439 -0.128 30 20 DBED COCC#CCN1CC=C(CCNC(=O)CCNC(N)=O)CC1 1161834778 USNDRXCUFUUUHN-UHFFFAOYSA-N 322.409 -0.167 30 20 DBED C#CCN1CCC(CNC(=O)C2(C(=O)NC)CC2)(COC)CC1 1162527811 OCHHCOUHPSSIFZ-UHFFFAOYSA-N 321.421 -0.009 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)c1nn(CC)nc1C 1177511216 PEBAGAAOLFHNRP-LBPRGKRZSA-N 320.397 -0.546 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@H](NCCN2CCNC2=O)[C@@H]1C 1178678847 UOZJHPJPDUJBDY-IHRRRGAJSA-N 322.409 -0.371 30 20 DBED C#CCNC[C@]1(C)CN(C(=O)CN2CCN(C)C(=O)C2)C[C@H]1C 1181951917 MMRJLHZTODIEHV-RHSMWYFYSA-N 320.437 -0.532 30 20 DBED N#CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H](F)C(F)(F)F)C1 1182718970 KDXMFGKNQBDBGI-APPZFPTMSA-N 310.251 -0.283 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)[C@H]2CN(C(C)=O)CCO2)C1 1187516517 UWCWRHITCPKWHD-HUUCEWRRSA-N 323.393 -0.926 30 20 DBED CN(Cc1nnn(C)n1)[C@H]1CCN(C(=O)CSCC#N)C1 1188959350 RIVSCVFNSSDOJV-JTQLQIEISA-N 309.399 -0.500 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)CCCC(=O)NC)C1 1189770108 PDWMKOUVJCTIDD-CYBMUJFWSA-N 322.409 -0.815 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 1190674992 FSKSCGAZYOYROH-OAHLLOKOSA-N 320.437 -0.247 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2cscn2)C1 1191677387 VOISWRSRKUBMIQ-MWLCHTKSSA-N 310.379 -0.780 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCCO2)C1 1192230389 NSFGXJBRAWDWIG-JHJVBQTASA-N 311.382 -0.981 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(CC(=O)N[C@@H](C)C2CC2)C[C@H]1O 1192525205 QZWWVCOMZMOBED-NWANDNLSSA-N 321.421 -0.134 30 20 DBED CN(CC#N)[C@H]1CCN(C(=O)CNC(=O)c2cscn2)C1 1193310393 KFDKJRQGKDLQTJ-JTQLQIEISA-N 307.379 -0.071 30 20 DBED C#CCOCCC(=O)N1CCCN(CC(=O)NCC#N)CC1 1195823798 AKYOCMUTQFXPFC-UHFFFAOYSA-N 306.366 -0.800 30 20 DBED CCc1nc(C)c(C(=O)N[C@@H]2CN(CC#CCOC)C[C@H]2O)o1 1197466815 KSUCKZBIDUZZQA-CHWSQXEVSA-N 321.377 -0.030 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)CC(=O)N(C)C)CC1 1206528362 RGFSCIGCIBINQP-UHFFFAOYSA-N 322.409 -0.958 30 20 DBED C[C@@H](C(=O)N1CCC[C@H](NCC(=O)NCC#N)C1)n1cncn1 1207828702 GIJUCTIJNAJGIL-RYUDHWBXSA-N 319.369 -0.941 30 20 DBED C#CCOCCC(=O)N1CCC[C@H](N[C@@H]2CCN(C)C2=O)C1 1208029489 XKPJYXWSVZTVPG-UONOGXRCSA-N 307.394 -0.162 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)c2csnn2)[C@H](C)C1 1208199687 NOBUGCVMBUBPTI-OUAUKWLOSA-N 321.406 -0.274 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)[C@]2(F)CCOC2)[C@H](C)C1 1208404735 AKLWALKDOCNLFG-JMSVASOKSA-N 313.373 -0.146 30 20 DBED COCC#CCN1C[C@@H](NC(=O)C2CC(=O)NC(=O)C2)[C@H](C)C1 1209423935 BMRDBVUMSDVNPD-DGCLKSJQSA-N 321.377 -0.875 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)[C@@H](C)CCOC)[C@H](C)C1 1211145789 QHOYIEFPSJFXRI-BFHYXJOUSA-N 309.410 -0.155 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@@H](NC(N)=O)C(C)(C)C)[C@H](OC)C1 1213721372 MCHBEJXYYCCLQA-IJLUTSLNSA-N 310.398 -0.482 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](NCc2nonc2C)[C@H](C)C1 1214472487 RRXKNXQHLKRIQL-ZWNOBZJWSA-N 319.365 -0.546 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)C2CN(C(C)=O)C2)C[C@H]1C 1214514042 KJPGNYBEEXIAMV-IUODEOHRSA-N 307.394 -0.449 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCO[C@@H]2CN(CCCOC)C[C@@H]21 1217868654 MRJSQMSIGFJPKC-SOUVJXGZSA-N 310.394 -0.027 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)[C@H]2OCC[C@H]2C(C)C)C1 1219650083 ZTJQVSNJRVCSID-FZKCQIBNSA-N 324.421 -0.141 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)CC(C)(F)F)C1 1220306733 GSSMCYJZOWKJRG-AXFHLTTASA-N 319.352 -0.116 30 20 DBED N#CCN1CC[C@@H]2CN(C(=O)CNC(=O)c3ccccn3)[C@@H]2C1 1222041875 JFOHOHZSVIEULQ-TZMCWYRMSA-N 313.361 -0.132 30 20 DBED C[C@@H](C#N)C(=O)NC1CCN(CCCN2C(=O)CNC2=O)CC1 1226640493 NSZLLTGKKIPYRH-NSHDSACASA-N 321.381 -0.331 30 20 DBED C[C@H]1CCCN1CC(=O)NC1CCN(CC(=O)NCC#N)CC1 1229186749 ZNWGGPVUTPZHGR-ZDUSSCGKSA-N 321.425 -0.309 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)NC1CCN([C@@H](C)C(N)=O)CC1 1229486466 SPNZBOKWVAYXLC-SMDDNHRTSA-N 324.425 -0.088 30 20 DBED C=CCNC(=O)CN1CC[C@H]1CN(C)C(=O)CCn1ccnn1 1233906908 LYIKLSIYMYMOKZ-ZDUSSCGKSA-N 320.397 -0.497 30 20 DBED N#Cc1ccc(CCNC(=O)C(=O)NC[C@H]2CNCCO2)cc1 1261635253 ZFLVWIFASCQSKN-CQSZACIVSA-N 316.361 -0.678 30 20 DBED CN(CC(=O)N1CCCC1)C(=O)C(=O)N1CCC[C@@H](C#N)C1 1262527728 OIISLSXRMZNPDY-LBPRGKRZSA-N 306.366 -0.171 30 20 DBED C#C[C@H](NC(=O)C(=O)NCC(=O)N1CCCCC1)[C@@H]1CCCO1 1322515363 WQBMNQPOSAUMFM-STQMWFEESA-N 321.377 -0.588 30 20 DBED C[C@H]1CN(C)C(=O)CN1C(=O)C(=O)N1CCC[C@@](C)(C#N)C1 1325019677 YJHDCDXVNFRJHP-NHYWBVRUSA-N 306.366 -0.172 30 20 DBED COCC[C@H](CO)NC(=O)C(=O)Nc1cc(C)nn1CCC#N 1325147366 VQBFLWCIRLYEAK-LLVKDONJSA-N 323.353 -0.443 30 20 DBED Cc1cc(NC(=O)C(=O)NCCNC(=O)N(C)C)ncc1C#N 1326743133 FXVZRYBIAAXJFO-UHFFFAOYSA-N 318.337 -0.412 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)NCc1ccc(C)n(C)c1=O 1327503380 LPRQMARSQYSPPA-UHFFFAOYSA-N 313.357 -0.205 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)C[C@H]2C=CCC2)CC1 1329899741 GRZMCCITQIWDGB-ZDUSSCGKSA-N 311.407 -0.046 30 20 DBED C=CCC1(O)CCN(C(=O)C(=O)N2CCN(C)C[C@H]2CN)CC1 1331233756 KSIWHASHXUFDNG-CYBMUJFWSA-N 324.425 -0.983 30 20 DBED C=CCC1(O)CCN(C(=O)C(=O)NCCN2CCCC2=O)CC1 1332956947 PQMKLJVTWBUGOP-UHFFFAOYSA-N 323.393 -0.345 30 20 DBED CC(=O)N1C[C@H]2CN(C(=O)C(=O)N(C)C[C@@H](C)C#N)C[C@H]2C1 1336469078 UCOSSRLNABNJLO-WCFLWFBJSA-N 306.366 -0.459 30 20 DBED CCn1cccc(NC(=O)C(=O)N2CC[C@](O)(CC#N)C2)c1=O 1345809215 FFQIRNBCNLXSSC-OAHLLOKOSA-N 318.333 -0.316 30 20 DBED Cc1cc(NC(=O)C(=O)N(C)CCS(C)(=O)=O)ncc1C#N 1346452294 ICQKEUPBVFHDJL-UHFFFAOYSA-N 324.362 -0.297 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)NCCOc2cccnc2)C1 1349212050 NUNXZGOGPFHYFX-HNNXBMFYSA-N 318.333 -0.546 30 20 DBED C#CCn1ccc(CN(CC)C(=O)C2(S(N)(=O)=O)CC2)n1 1349570008 RJYHEPRCFLOKMY-UHFFFAOYSA-N 310.379 -0.314 30 20 DBED C[C@H](C(=O)N1CCO[C@H](C#N)C1)S(=O)(=O)C1CCOCC1 1362126652 OOHBWEWODYRFGP-GHMZBOCLSA-N 316.379 -0.280 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H](CO)[C@H]1CCOC1 1363962521 CTYYGPTYPHYWPC-WOPDTQHZSA-N 305.400 -0.300 30 20 DBED N#CCc1ccnc(NC(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)c1 1364409902 QFBVNPZYPGEPGM-NXEZZACHSA-N 310.335 -0.573 30 20 DBED N#Cc1ccc(CNC(=O)N2CCC(S(N)(=O)=O)CC2)nc1 1370571653 BTLWMPGROIIYIE-UHFFFAOYSA-N 323.378 -0.084 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNCC(=O)N1CCCCCC1 1379183422 HJBHFUWIMGQJCL-STQMWFEESA-N 310.398 -0.385 30 20 DBED CN(C[C@H](O)CNC(=O)c1ccc(C#N)[nH]1)C(=O)CC(C)(C)O 1384222762 UYFABYUEHFSGFW-LLVKDONJSA-N 322.365 -0.404 30 20 DBED CS(=O)(=O)CC(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 1385344018 IWKOHHVCPNECSI-SNVBAGLBSA-N 324.362 -0.738 30 20 DBED CC(C)OCC(=O)N1CCN(CCNC(=O)[C@H](C)C#N)CC1 1385570662 HXUQVQPKIBTYAQ-CYBMUJFWSA-N 310.398 -0.169 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H](CNC(=O)Cn2ncnn2)C1 1386034853 CBRIJMKBOBXHAO-GHMZBOCLSA-N 305.342 -0.812 30 20 DBED Cc1ncc(C(=O)NC[C@@]2(O)CCN(C(=O)[C@@H](C)C#N)C2)[nH]1 1390439232 XSLOONCBSCXSER-XPTSAGLGSA-N 305.338 -0.429 30 20 DBED C=C(Cl)CNC[C@H](O)CNC(=O)C(C)(C)CNC(C)=O 1392408537 LDEJSDSMAWPHFS-NSHDSACASA-N 305.806 -0.032 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)c2coc(C(N)=O)c2)CC1 1393735442 BKOXVUSDTLHOHZ-MRVPVSSYSA-N 304.306 -0.083 30 20 DBED C[C@@H](C#N)C(=O)N(CCNC(=O)[C@@H](C)S(C)(=O)=O)C1CC1 1398338984 VZLVGNPPJVRBOE-VHSXEESVSA-N 315.395 -0.314 30 20 DBED COCCN(CCNC(=O)[C@@H](C)C#N)C(=O)C[C@H]1CCC(=O)N1 1405769442 LWKFITFSWHZGIK-NWDGAFQWSA-N 324.381 -0.594 30 20 DBED C[C@H](CC[S@@](C)=O)NC(=O)Cn1cc(C#N)c(O)nc1=O 1412590688 LHQLZRATLDQWRC-IJSAXESFSA-N 312.351 -0.906 30 20 DBED C[C@@H](CC(N)=O)C(=O)NC1CN(C(=O)c2cc(C#N)c[nH]2)C1 1416036145 GDQBEGXNOQLLCU-QMMMGPOBSA-N 303.322 -0.662 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](C)CCNC(=O)c1cccc(C(N)=O)n1 1431046476 XFRKTTDVGAOJJQ-VHSXEESVSA-N 317.349 -0.035 30 20 DBED CCCC[C@@H](NC(N)=O)C(=O)NCCN(C)C(=O)[C@@H](C)C#N 1431334820 LXEBNEOIMJDBHI-WDEREUQCSA-N 311.386 -0.052 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1c[nH]nc1C1CC1 1431571959 OXCUJEVEZQHPQW-SCZZXKLOSA-N 305.338 -0.346 30 20 DBED C[C@H](CN1CC(CNC(=O)[C@H](C)C#N)C1)CS(C)(=O)=O 1438110719 IYMSKBNZIYRBND-GHMZBOCLSA-N 301.412 -0.125 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNCC(=O)Nc1cccc(F)c1 1438983580 MTZFJQVYBMZRRW-MFKMUULPSA-N 322.340 -0.009 30 20 DBED C[C@@H](CN(C)C(=O)c1cnn(C)n1)NC(=O)c1ccc(C#N)[nH]1 1443905373 GXMSMXPYCNGVBP-VIFPVBQESA-N 315.337 -0.095 30 20 DBED N#Cc1ccc(CNC[C@@H](O)CNC(=O)Cn2cncn2)cc1 1445270736 MRENGVKEISDXHR-CQSZACIVSA-N 314.349 -0.583 30 20 DBED COCCn1ccc(C(=O)N2CC(CNC(=O)[C@@H](C)C#N)C2)n1 1450691327 UVECKJBZVRKINF-NSHDSACASA-N 319.365 -0.123 30 20 DBED CCN(CCC#N)C(=O)CNC[C@H](C)NC(=O)c1ccnn1C 1483213631 NJFMEMLPMIAYQA-LBPRGKRZSA-N 320.397 -0.110 30 20 DBED COCC#CCN1CCC[C@H](NC(=O)c2ccc(=O)n(C)n2)C1 1490457027 AAGFIROBIRMQPK-ZDUSSCGKSA-N 318.377 -0.376 30 20 DBED CC[C@@H](CNC(=O)[C@@H]1CCC(=O)N1)NC(=O)c1cc(C#N)c[nH]1 1499245235 WKGORRLZIBTXSN-QWRGUYRKSA-N 317.349 -0.210 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)[C@@H](C)S(C)(=O)=O)CC1 1506134247 JDMXIPNGBBMHIA-RKDXNWHRSA-N 301.368 -0.656 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]1CN(C)C(=O)CNC(=O)C1CC1 1514539833 GWAWAFWKHXBMSM-JQWIXIFHSA-N 306.366 -0.268 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H]1CCN(C(=O)CNC(=O)O)C1 1573311277 LDBZREBUUGLKFL-WDEREUQCSA-N 311.338 -0.743 30 20 DBED COC[C@]1(C(=O)O)CN(S(=O)(=O)CCCCC#N)CCO1 1574147254 SWNLTZFCHWYQHO-LBPRGKRZSA-N 320.367 -0.188 30 20 DBED N#Cc1ccc(C2(NC(=O)CNC(=O)CN)CCOCC2)cc1 1580066434 KXEMDQWCJGXXOY-UHFFFAOYSA-N 316.361 -0.245 30 20 DBED C#CCN(CC(=O)O)C(=O)NCCC1CCS(=O)(=O)CC1 1588408226 BVROUSPKWKZYDG-UHFFFAOYSA-N 316.379 -0.069 30 20 DBED C=CCn1c([C@@H]2CNC(=O)C2)nnc1N1CC[C@H](C(=O)O)C1 1588471579 BDTOOQFQFANCOJ-UWVGGRQHSA-N 305.338 -0.022 30 20 DBED C[C@H](C(=O)N[C@@]1(C#N)CC1(C)C)n1cnc(-c2nn[nH]n2)n1 1588970668 MDPUKBFBAMCGEY-JMCQJSRRSA-N 301.314 -0.172 30 20 DBED CC1CC(C#N)(C(=O)NCCn2cnc(-c3nn[nH]n3)n2)C1 1590180975 ZTBVADYVECSMDX-UHFFFAOYSA-N 301.314 -0.486 30 20 DBED O=C(N[C@@H]1CCCN(O)C1=O)c1ccc(-c2nn[nH]n2)nc1 1592980989 RDTLBJREVTXNKF-SECBINFHSA-N 303.282 -0.628 30 20 DBED C[C@@H]1C[C@@]1(C(=O)O)C(=O)NCCn1cc(C#N)c(O)nc1=O 1594226445 MZQZWERYOMVZNO-UHLUBPPHSA-N 306.278 -0.952 30 20 DBED N#Cc1ccc(CNC(=O)CN2CCC[C@@H](C(=O)O)C2=O)nc1 1608204838 MEDVFDRNFRAXFL-GFCCVEGCSA-N 316.317 -0.107 30 20 DBED CNC(=O)CNC(=S)NN=Cc1cccn1[C@H](C)C(=O)O 1610140122 LVJQEJKCCKVAQG-MRVPVSSYSA-N 311.367 -0.322 30 20 DBED N#Cc1nccc(N2CCN(C(=O)N3CCOCC3)CC2)n1 1645956135 YRUZDNVSMKBNPD-UHFFFAOYSA-N 302.338 -0.078 30 20 DBED C#CCCCC(=O)N1CC[C@H](N[C@@H](C)C(=O)NC(=O)NC)C1 1713147077 NFSIJFHDDACWDQ-RYUDHWBXSA-N 308.382 -0.176 30 20 DBED CCc1cc(C(=O)NC[C@@H](C)NCC(=O)NCC#N)n(C)n1 1752909342 KUVRWCYDFMAAJK-SNVBAGLBSA-N 306.370 -0.670 30 20 DBED COCC#CCN[C@H](C)CNC(=O)CS(=O)(=O)C(C)(C)C 1752913908 MGPTWOWYZQVFSS-GFCCVEGCSA-N 318.439 -0.056 30 20 DBED C#CCOCCC(=O)N1CC[C@H](CN[C@H](C)c2nnnn2C)C1 1752937895 DDVBZXIVBUQLKO-CHWSQXEVSA-N 320.397 -0.251 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@H]1CCCN1Cc1nc(O)n[nH]1 1753106573 YOGNIECNRWLKMW-IINYFYTJSA-N 309.370 -0.082 30 20 DBED C=CCCN1CC(CNC(=O)Cn2ccc(=O)n(C)c2=O)C1 1753404951 XVVXSCFQVQFHHE-UHFFFAOYSA-N 306.366 -0.829 30 20 DBED C=CCNC1(CNC(=O)[C@H]2CCS(=O)(=O)N2)CCCC1 1753678561 MGCGJDVWXOQMDZ-LLVKDONJSA-N 301.412 -0.117 30 20 DBED C#CCCNC[C@@H](C)N(C)C(=O)[C@@H]1Cc2cncn2C(=O)N1 1753704666 IBKUPCGJHKKUBC-YPMHNXCESA-N 303.366 -0.175 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)Cc1cccs1 1753903576 UFSFHRQAAPKHKJ-VXGBXAGGSA-N 323.418 -0.505 30 20 DBED Cc1cc(=O)c(C(=O)NC/C=C\CNCC(=O)NCC#N)c[nH]1 1754191506 YFPJNIJABZRTDK-IHWYPQMZSA-N 317.349 -0.801 30 20 DBED C[C@H](CNCC(=O)NCC#N)NC(=O)[C@@H](C)Oc1ccccn1 1754249713 VFCQKCAOVWLRLR-VXGBXAGGSA-N 319.365 -0.417 30 20 DBED C=CCN1CC[C@@H](N2CC(O)(CNC(=O)C(F)F)C2)C1=O 1754764224 SXAPBNLZZVNFTL-SECBINFHSA-N 303.309 -0.799 30 20 DBED CC(C)(C)N1C[C@H](C(=O)N2CCO[C@@H](CNCC#N)C2)CC1=O 1754999912 FVSIUGLHWKSFHB-OLZOCXBDSA-N 322.409 -0.026 30 20 DBED C#CCN[C@@]1(CO)CCCN(C(=O)COCc2ccnn2C)C1 1755086769 XANCBQKBXFMBJT-INIZCTEOSA-N 320.393 -0.487 30 20 DBED C=CCOCC(=O)NC1CC(CN[C@H](C)c2nnnn2C)C1 1755207529 ZRSVSVWOUGDZIF-VOMCLLRMSA-N 308.386 -0.042 30 20 DBED C[C@H](NCC(=O)NCC#N)[C@H](C)NC(=O)CCc1ccn(C)n1 1755238210 UUEAGTKPCQMJMG-RYUDHWBXSA-N 320.397 -0.525 30 20 DBED CC#CCN1CC([C@H](C)NC(=O)CCNS(C)(=O)=O)C1 1755377953 AVDNMQFBJSMSML-NSHDSACASA-N 301.412 -0.615 30 20 DBED C#CCNC(=O)CN[C@H](CCNC(=O)c1ncc[nH]1)C(C)C 1755548977 AAFWNVOCSFDECT-GFCCVEGCSA-N 305.382 -0.107 30 20 DBED C#CCNC(=O)CN[C@H](C)CN(C)C(=O)[C@@H]1CCCC(=O)N1C 1755614400 NRCPOXQEVCOYFF-OLZOCXBDSA-N 322.409 -0.817 30 20 DBED CC(C)C#CC(=O)NC[C@@H](CO)NCCCS(C)(=O)=O 1755627570 IFQWSOOSYHCJAS-LBPRGKRZSA-N 304.412 -0.853 30 20 DBED CC(C)C#CC(=O)N(C)C[C@H](O)CNC[C@H]1CCc2ncnn21 1755776568 AXDJDRFMEYHYNP-ZIAGYGMSSA-N 319.409 -0.166 30 20 DBED C#CCCCC(=O)N(C)C[C@H](O)CN(C)Cc1nncn1C 1755800939 QIWDDIXBBUJHSI-CYBMUJFWSA-N 307.398 -0.130 30 20 DBED CN(CCOCCN[C@H]1CCNC1=O)C(=O)C#CC(C)(C)C 1755872952 FOHPCYVELHBUBF-ZDUSSCGKSA-N 309.410 -0.011 30 20 DBED COc1cc(C(=O)N[C@H](CO)CNC(=O)C#CC(C)C)ccn1 1756518021 STPMZUCZPWBNRG-ZDUSSCGKSA-N 319.361 -0.044 30 20 DBED C=C[C@](C)(CC)C(=O)NC[C@@H](CO)NC(=O)CNC(=O)NC 1756547925 LXCWQZIWNBUKCP-IINYFYTJSA-N 314.386 -0.889 30 20 DBED CCCN(C)CC(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 1757198471 ZXVKPYHIULWNJR-KGLIPLIRSA-N 307.394 -0.571 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cc[nH]n1 1800289328 ZFVNCORRVUYPEE-QHBPRCKVSA-N 302.334 -0.825 30 20 DBED C#CCCC(=O)N1CC2(CCCN2C(=O)[C@H](C)n2cnnn2)C1 1846648925 DPRLWLTWKKHTNS-LBPRGKRZSA-N 316.365 -0.149 30 20 DBED CC(C)N(CCC#N)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O 42530568 YSEFABAWZLQRBR-UHFFFAOYSA-N 314.367 -0.603 30 20 DBED C=CCN(CCNS(=O)(=O)CC)[C@@H]1CCS(=O)(=O)C1 68830405 SBLDANRRBUABCP-LLVKDONJSA-N 310.441 -0.399 30 20 DBED N#Cc1ccc(S(=O)(=O)N[C@H](CO)C(=O)O)cc1Cl 126091807 ISARHGXGYUKYTF-SECBINFHSA-N 304.711 -0.065 30 20 DBED COc1ccccc1CN/C(N)=N/CC(=O)N1CCOCC1 182725592 XSZAGKOTNMBYBD-UHFFFAOYSA-N 306.366 -0.042 30 20 DBED N#Cc1c(F)cccc1C(=O)N1CCN(S(N)(=O)=O)CC1 188973505 AJBCYJNZKCWXLO-UHFFFAOYSA-N 312.326 -0.341 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@@H](CN)C[C@H]2C)C1=O 261688915 IJLQATUOXZIDQC-NXEZZACHSA-N 308.338 -0.841 30 20 DBED N#Cc1cc(F)ccc1S(=O)(=O)N[C@H](CCO)C(=O)O 275122718 UDDCLDYOMDVOEL-SECBINFHSA-N 302.283 -0.189 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1CC[C@@H](S(C)(=O)=O)C1 282411489 YFRHSKIOINJZOE-VHSXEESVSA-N 303.384 -0.494 30 20 DBED O=C1C[C@@H](/N=C(/O)N2CCS(=O)(=O)CC2)CN1C1CC1 328890948 SDAYCWFIVAYWJW-SECBINFHSA-N 301.368 -0.606 30 20 DBED COCCN1CCN(/C(O)=N/C[C@H]2CCCS2(=O)=O)CC1 330120714 GMVGHLNZSWUXNB-GFCCVEGCSA-N 319.427 -0.258 30 20 DBED CS(=O)(=O)c1ccc(N=C(O)N[C@@H]2CCCNC2=O)cn1 330401855 APBDHKFWAMDWMY-SECBINFHSA-N 312.351 -0.101 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N(C)CCN1CCOCC1 330405498 HSHURHMWVAVOAA-LBPRGKRZSA-N 304.416 -0.271 30 20 DBED COCCN1CCN(/C(O)=N/[C@@H](C)CS(C)(=O)=O)CC1 330763660 QUDIHQPSFVOIEN-NSHDSACASA-N 307.416 -0.403 30 20 DBED CS(=O)(=O)NCCC/N=C(/O)c1cc2n(n1)CCCO2 331166653 ICGFHOGAMGAHTI-UHFFFAOYSA-N 302.356 -0.091 30 20 DBED Cc1nn(C)c(C)c1CNS(=O)(=O)N1CCO[C@@H](C#N)C1 337091666 LJXOIUAGCDONOM-NSHDSACASA-N 313.383 -0.404 30 20 DBED C=CC[C@@H](C)NC(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 342530341 RJRFCZMALFKWSW-MNOVXSKESA-N 317.411 -0.056 30 20 DBED CS(=O)(=O)Nc1nnc(NC(=O)c2ccc(C#N)[nH]2)s1 343201191 WDDPSARPYUOUDM-UHFFFAOYSA-N 312.336 0.362 30 20 DBED CC[C@H](C)[C@@H](NS(C)(=O)=O)C(=O)N1CCO[C@@H](C#N)C1 345312210 FPWPLNYVCOIIEE-GARJFASQSA-N 303.384 -0.299 30 20 DBED C=CCOC[C@H]1NC(=O)N(CCCN2C(=O)CNC2=O)C1=O 348408382 FIEOCBTUTQBSAK-SECBINFHSA-N 310.310 -0.949 30 20 DBED N#Cc1cccc(NC(=O)C(=O)N2CCS(=O)(=O)CC2)c1 353245216 WPHBFCYWBASHAQ-UHFFFAOYSA-N 307.331 -0.246 30 20 DBED C=CCOC[C@@H](NC(=O)[C@H]1CN2CCCN1CC2)C(=O)OC 360722929 QPHBYLKKTOMJFF-CHWSQXEVSA-N 311.382 -0.763 30 20 DBED C=CCOC[C@H](NC(=O)CN1CSCC1=O)C(=O)OC 360724383 AYKUXCDFDHEULM-VIFPVBQESA-N 302.352 -0.620 30 20 DBED CC(C)[C@H](C(=O)N1CCO[C@@H](C#N)C1)N1CCCS1(=O)=O 408080537 NIAUPJDSMVLEDW-NWDGAFQWSA-N 315.395 -0.203 30 20 DBED N#Cc1ccc(NC(=O)C(=O)NCC(=O)NCCO)c(Cl)c1 439262769 ZJZVSKZHKVMDBX-UHFFFAOYSA-N 324.724 -0.625 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC(C)(C)CN(C)C)C1=O 457209751 OWFISVYIOQXEEP-UHFFFAOYSA-N 310.354 -0.580 30 20 DBED C#CCN1CCN(C(=O)COc2ccn(C)c2C(=O)OC)CC1 491072370 RQHORKZGRUAOMJ-UHFFFAOYSA-N 319.361 -0.032 30 20 DBED C#C[C@H](CC)NC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 491517133 XKNSBLIYGWZHAZ-TUAOUCFPSA-N 312.391 -0.450 30 20 DBED C#C[C@@H](CCC)NC(=O)CN1CCN(S(C)(=O)=O)CC1 491651394 GNEXRIWCIWJSDY-LBPRGKRZSA-N 301.412 -0.518 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2C[C@@H](OC)C2(C)C)C1=O 531475741 JDCIVKMBEVDJRN-VHSXEESVSA-N 323.349 -0.107 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)NC[C@@](C)(CC(=O)O)C(=O)O 577223849 KNWLHZLNJBUJAN-LDYMZIIASA-N 321.355 -0.380 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)[C@H]2COCCN2CC(F)F)C1 592850286 REGWAUSQWUOPCZ-ZWNOBZJWSA-N 303.309 -0.171 30 20 DBED COCCN(CCC#N)S(=O)(=O)NC1([C@H](C)C(=O)O)CC1 593273359 ILEDEBWSRZTHRE-SNVBAGLBSA-N 319.383 -0.064 30 20 DBED CC[C@@H](C#N)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 593394460 IPCJQZHRDVVZLV-ZDUSSCGKSA-N 308.382 -0.461 30 20 DBED COC(=O)C[C@H](O)CNS(=O)(=O)c1ccc(C#N)c(F)c1 599460967 BJUFTOODGRQKBV-VIFPVBQESA-N 316.310 -0.100 30 20 DBED CN1CCN(CC(=O)NCc2cccc(C#N)c2)[C@H](CO)C1 602906574 XFAMITAOJXHZSB-HNNXBMFYSA-N 302.378 -0.217 30 20 DBED COC[C@](C)(C#N)NC(=O)c1cc(S(=O)(=O)N(C)C)c[nH]1 610924893 ZAHPHAGZIVSARZ-LBPRGKRZSA-N 314.367 -0.077 30 20 DBED C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N1CC[C@@](F)(C#N)C1 615646242 NLYODXXKNLXCBQ-NTZNESFSSA-N 317.386 -0.042 30 20 DBED CC#CC[C@H](CO)NC(=O)NCC1(CS(C)(=O)=O)CC1 645344111 JFNKAHHILDOWQQ-LLVKDONJSA-N 302.396 -0.115 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCCC2CCNCC2)C1=O 653270093 DGRXSYLCTSVRAX-UHFFFAOYSA-N 322.365 -0.531 30 20 DBED C#Cc1ccc(C(=O)OCC(=O)N[C@@H](C)C(=O)N(C)C)nc1 729006885 NJLLBFQACKFQRN-JTQLQIEISA-N 303.318 -0.187 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CCCCN2C)CC1 733364559 LHEODIGOVHSBFU-HNNXBMFYSA-N 320.437 -0.246 30 20 DBED CN1CCN(c2cc(C(=O)N(CC#N)CC(=O)O)ccn2)CC1 737528556 IJLBPORRRGZBFE-UHFFFAOYSA-N 317.349 -0.116 30 20 DBED N#Cc1ccc([C@H](OC(=O)CN2CC(=O)NC2=O)C(=O)O)cc1 739107888 CIEXSVLQGXENEU-LBPRGKRZSA-N 317.257 -0.221 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 757595341 SIPKNXHLIUFJKV-WDEREUQCSA-N 310.354 -0.002 30 20 DBED C#CCNC(=O)CN1CCN(CC(=O)NCC#C)[C@H](CCC)C1 759719022 UJQNQXJRNVSKQL-OAHLLOKOSA-N 318.421 -0.729 30 20 DBED CN(C(=O)C(=O)NCCNc1ncccc1C#N)[C@H]1CCOC1 787786627 AMWBVGVDEITBPE-LBPRGKRZSA-N 317.349 -0.271 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCO[C@H]2C)CC1 790582676 RPXWZGYXXFFWPH-UONOGXRCSA-N 307.394 -0.305 30 20 DBED C#C[C@@H](NC(=O)C(=O)N1CCN(C2CCC2)CC1)[C@H]1CCCO1 809307494 DREQNDZDPHZGGC-HUUCEWRRSA-N 319.405 -0.020 30 20 DBED N#C[C@@H]1CNC[C@H]1NC(=O)CNC(=O)Cc1cccc(F)c1 834490252 STZWPRRTUDPCQS-DGCLKSJQSA-N 304.325 -0.288 30 20 DBED CN(C)S(=O)(=O)c1ccc(C(=O)N[C@@H]2CNC[C@@H]2C#N)cn1 834501067 ZEHDXANAVCUKSJ-WDEREUQCSA-N 323.378 -0.827 30 20 DBED CC(C)(O)C1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 867827458 CGOPOOHBURROKX-LBPRGKRZSA-N 317.411 -0.062 30 20 DBED C#CCSCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 899982932 MKIDJCXLZUQFPP-LBPRGKRZSA-N 316.448 -0.316 30 20 DBED COCCN(CC(=O)N(C)C)S(=O)(=O)CC(C)(C)C#N 913916988 SSJJTVNMFXRTQX-UHFFFAOYSA-N 305.400 -0.097 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@@H]1CC(=O)N(CC)C1 914799472 CJIYASSOTVTYAV-NXEZZACHSA-N 311.338 -0.202 30 20 DBED C#CCN1CCC[C@@H](NC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)C1 923575577 JAMOZPZPMDEVLM-LSDHHAIUSA-N 320.437 -0.390 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2cnc(O)n(C)c2=O)[C@@H](C)C1 942555729 OYVWPSFLARRSPW-WCQYABFASA-N 318.377 -0.051 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCN(C(=O)Cn3nccn3)CC2)C1 944946143 PULNONQHGBNNBK-LBPRGKRZSA-N 316.365 -0.111 30 20 DBED O=C1CC[C@H](C(=O)NC2CCN(C(=O)C#CC3CC3)CC2)N1 946690264 JBMBHQVNJCJDTG-CYBMUJFWSA-N 303.362 -0.214 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(NC(=O)C[C@@H]2CC(=O)NC2=O)CC1 948109651 JLHDSBKGSWPYBV-VHSXEESVSA-N 320.349 -0.694 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(NC(=O)[C@H]2CCC(=O)N2C)CC1 948110330 WFRSBFMCQZJQNM-CMPLNLGQSA-N 306.366 -0.126 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@]2(CCCN(C(=O)CC(N)=O)C2)C1 952944481 FSFIVFULXRPKMN-NHYWBVRUSA-N 306.366 -0.137 30 20 DBED CN(C(=O)c1cc(C#N)c[nH]1)C1CN(C(=O)[C@@H]2CCC(=O)N2)C1 953991214 GUFFFBLAUNSRTH-NSHDSACASA-N 315.333 -0.552 30 20 DBED C[C@@H](C#N)C(=O)N1CC(N(C)C(=O)[C@H](C)N2CCOCC2)C1 954735624 CBOYKMRDYZGDEP-RYUDHWBXSA-N 308.382 -0.464 30 20 DBED C#Cc1cncc(C(=O)NC[C@@H]2CCCN2C(=O)CC(N)=O)c1 955935628 GPHKEBXXHZIRKH-ZDUSSCGKSA-N 314.345 -0.341 30 20 DBED C#CCCN1C[C@H](CNC(=O)c2cc3n(n2)CCO3)[C@@H](O)C1 958135440 NOEAPBLNCQGARN-AAEUAGOBSA-N 304.350 -0.679 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2cc(CN(C)C)on2)C1 958199437 IQPTWZMVNXPIBM-BXUZGUMPSA-N 306.366 -0.608 30 20 DBED C=CCCn1cc(C(=O)NC[C@@H]2CN(CC#CC)C[C@@H]2O)nn1 958468162 SOQXMWHUPBVJHZ-HIFRSBDPSA-N 317.393 -0.100 30 20 DBED CS(=O)(=O)CCN1C[C@H]2[C@H](NC(=O)c3cc(C#N)c[nH]3)[C@H]2C1 958499678 HNYRWFJAQJTBFW-PJXYFTJBSA-N 322.390 -0.409 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)C2(F)CCOCC2)C1 967159401 QLGRQLDVSFCKOR-MXWKQRLJSA-N 313.329 -0.647 30 20 DBED Cc1nn(C)cc1CC(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1O 967274859 YZDPDEWWUBTZGH-BIMULSAOSA-N 319.365 -0.881 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCNC1=O 969534618 CHIBRTDYIYTSOC-NNYUYHANSA-N 304.350 -0.516 30 20 DBED C#CCN1CC([C@@H](C)NC(=O)[C@H]2CCc3nnc(O)n3C2)C1 969991449 FOGXFBGXXAXDJJ-MNOVXSKESA-N 303.366 -0.384 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](NCc2nc(O)n[nH]2)C1 970017210 OVFKMGVJPVGKTO-MXWKQRLJSA-N 307.354 -0.208 30 20 DBED C[C@@H](NC(=O)c1cnn2c(=O)cc[nH]c12)C1CN(CC#N)C1 970546566 VVADFQXPFBSRAL-SECBINFHSA-N 300.322 -0.404 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@H]1CN2CC(=O)NC 971832677 YOEOHEZQPVRMAF-RQJABVFESA-N 307.394 -0.001 30 20 DBED C[C@@H](C(N)=O)N1CCO[C@]2(CCN(C(=O)C#CC3CC3)C2)C1 972381511 NLNWWNVITYCHHI-BLLLJJGKSA-N 305.378 -0.423 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)[C@H]3CCCCC(=O)N3)[C@H]2C1 977163352 JJBBFNBFDANVOZ-DIACKHNESA-N 318.377 -0.222 30 20 DBED C#Cc1cncc(C(=O)N[C@H]2CCN(C(=O)C(N)=O)[C@@H]2C)c1 989801336 DGRSJMAYQDTFHQ-SKDRFNHKSA-N 300.318 -0.733 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(NCC(=O)N2CCOCC2)CC1 990262535 RMUBGSPKUOERBF-LBPRGKRZSA-N 308.382 -0.415 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NC1CN(C(=O)Cc2nc[nH]n2)C1 992071264 MFIKDDLGESAQRU-NEPJUHHUSA-N 319.365 -0.345 30 20 DBED C#CCN1CC[C@]2(NC(=O)[C@@H]3CC(=O)NC(=O)N3)CCC[C@@H]12 992257063 GKKXYTAPXQMVDG-FIXISWKDSA-N 304.350 -0.669 30 20 DBED C#CCCN1CC[C@@]2(NC(=O)[C@@H]3CC(=O)NC(=O)N3)CCC[C@@H]12 992287622 HZLUNTJKMYIHCU-OZVIIMIRSA-N 318.377 -0.279 30 20 DBED CC#CCN1CC[C@]2(NC(=O)[C@@H]3CC(=O)NC(=O)N3)CCC[C@H]12 992289972 LUMKGHJXMKLFGE-MQIPJXDCSA-N 318.377 -0.279 30 20 DBED C=CCN1CC[C@]2(NC(=O)c3cn(CC(N)=O)nn3)CCC[C@@H]12 992523731 IUQBPSUADONUSY-IUODEOHRSA-N 318.381 -0.324 30 20 DBED CN1C(=O)CCC[C@H]1C(=O)NC1CN(C(=O)C#CC2CC2)C1 997710682 KNQSBSJGMHGPPZ-ZDUSSCGKSA-N 303.362 -0.262 30 20 DBED C[C@H](NC(=O)C1CC(=O)NC(=O)C1)C1CCN(CC#N)CC1 997790340 FOUZAYXXJAEEKU-JTQLQIEISA-N 306.366 -0.221 30 20 DBED C#Cc1cncc(C(=O)NC2CN(C(=O)C3=COCCO3)C2)c1 999304317 LKLKMAHOIGBTIJ-UHFFFAOYSA-N 313.313 -0.108 30 20 DBED N#CCN1CC=C(CNC(=O)[C@H]2CCc3nnc(O)n3C2)CC1 1000860457 SYDACRWKRHLIMW-LBPRGKRZSA-N 316.365 -0.182 30 20 DBED C[C@H](C#N)C(=O)N1CC(CNC(=O)c2ccc3nnnn3c2)C1 1003206639 MSOYWTIQGNAGNX-SECBINFHSA-N 313.321 -0.528 30 20 DBED COCC(=O)N1CC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1007566981 HFWSXWUVHZLESV-MRXNPFEDSA-N 306.362 -0.124 30 20 DBED N#Cc1cc(C(=O)NC2[C@H]3CN(C(=O)Cn4ccnc4)C[C@H]23)c[nH]1 1012980847 BHLXRVRXAFUYFU-STQMWFEESA-N 324.344 -0.030 30 20 DBED N#CCN1CC[C@H]2[C@@H](CCCN2C(=O)CN2C(=O)CCC2=O)C1 1021729499 FNAAYBQBJYJUDV-STQMWFEESA-N 318.377 -0.028 30 20 DBED C=CCN1CC[C@H](N[C@H]2C[C@@H](NC(=O)Cc3nc[nH]n3)C2)C1=O 1022956171 TZBRZIYNLOKRCD-TUAOUCFPSA-N 318.381 -0.629 30 20 DBED COc1c(O)nc(O)nc1C(=O)NC[C@@H]1CCCN1CC#N 1028258346 QJPYOMYZJLKYQB-QMMMGPOBSA-N 307.310 -0.386 30 20 DBED C#CCN1CC(CNC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1 1031972756 DUHZQCZRUSJYBB-LSDHHAIUSA-N 319.405 -0.162 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2C[C@H](O)CN1CCCC1=O 1032318157 HTSFIFNACFKLDY-ZOBORPQBSA-N 320.393 -0.586 30 20 DBED C#CCN[C@H]1CCN(C(=O)CN2C(=O)NC(C)(C)C2=O)C[C@H]1C 1036282873 RXJWYXKJSRRUII-NEPJUHHUSA-N 320.393 -0.223 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@@](O)(CNC(=O)C#CC2CC2)C1 1039685256 LOOKSUWJAUIDCT-SUMWQHHRSA-N 318.373 -0.482 30 20 DBED CC(C)C#CC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2CCN(C)C2)C1 1039760955 WVKOSQDXHQKOEU-PBHICJAKSA-N 321.421 -0.323 30 20 DBED C=CCCOCC(=O)NC[C@]1(O)CCN(C(=O)[C@H](C)OC)C1 1040155247 CDTGVGKOSXCNDM-SWLSCSKDSA-N 314.382 -0.306 30 20 DBED N#Cc1cncc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCO3)C2)n1 1040898149 JECYFZLZQSYYLT-IJLUTSLNSA-N 303.322 -0.807 30 20 DBED C#Cc1ccc(C(=O)N2CC(O)(CNC(=O)CCOC)C2)cn1 1041050978 PRROHDFDWFYKLB-UHFFFAOYSA-N 317.345 -0.598 30 20 DBED C[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1NC(=O)[C@H]1COC(=O)N1 1041892557 QECHKKNAPBFNEU-OPRDCNLKSA-N 316.321 -0.602 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2cocn2)C1 1042063639 CFTCCAHOTOZRBL-JTQLQIEISA-N 309.322 -0.431 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)C[C@H]2CCOC2)C1 1042259363 LDCFUWXZYQZLIL-CYBMUJFWSA-N 324.377 -0.858 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(O)CN(C(=O)c2nc(C)c[nH]2)C1 1042812614 QOFQSWKXCVDDMR-AWEZNQCLSA-N 322.365 -0.652 30 20 DBED CC(C)(C)C#CC(=O)NCC1(O)CN(C(=O)CC(C)(C)O)C1 1042966546 ZHYGYGXUISQJKQ-UHFFFAOYSA-N 310.394 -0.114 30 20 DBED CN(C(=O)Cn1nnc(-c2ccco2)n1)C1CN(CC#N)C1 1043192661 DHSSNTZWBKBOEA-UHFFFAOYSA-N 301.310 -0.401 30 20 DBED C=CCCOCC(=O)NCC1(O)CN(C(=O)c2coc(C)n2)C1 1043567966 IEHDIRMEPFPFRV-UHFFFAOYSA-N 323.349 -0.121 30 20 DBED C#Cc1ccc(C(=O)N(C)C2CN(Cc3nnnn3C)C2)nc1 1044199759 UEEFPWMQVIQVGA-UHFFFAOYSA-N 311.349 -0.457 30 20 DBED C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1044548239 WSODJBANVHNATL-WUWHUORYSA-N 317.349 -0.561 30 20 DBED CC#CCCCC(=O)N1CC(O)(CNC(=O)c2cnon2)C1 1045197672 XBTIJHVZACWYAD-UHFFFAOYSA-N 306.322 -0.434 30 20 DBED Cc1ncccc1C(=O)N1CC(O)(CNC(=O)[C@@H](C)C#N)C1 1045545968 FZFBHKUJMQBCGV-JTQLQIEISA-N 302.334 -0.147 30 20 DBED C#CCN1C[C@H]2C[C@@H](NC(=O)CN3CCNC(=O)C3)C[C@H]1C2 1047123207 RXFCYQJMGKHAEG-BFHYXJOUSA-N 304.394 -0.980 30 20 DBED C=C(C)CN1C[C@H](O)[C@@H](N(C)C(=O)c2cn(C)c(=O)cn2)C1 1047463240 YOAYOCFUBYHUKY-STQMWFEESA-N 306.366 -0.527 30 20 DBED CN(C(=O)c1ncc[nH]1)[C@H]1CN(C(=O)CSCC#N)C[C@@H]1O 1048794623 ZVIDHSHPTFTWRV-UWVGGRQHSA-N 323.378 -0.690 30 20 DBED C#CCO[C@H](C)C(=O)N(C)[C@H]1CN(C(=O)[C@H]2C[C@@H]2C)C[C@@H]1O 1048844276 GLROPCLWDOBVFW-NDKCEZKHSA-N 308.378 -0.289 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@]2(C)CNC(=O)C2)C1 1049101360 INPGZRRHWCRYJY-MQIPJXDCSA-N 323.393 -0.491 30 20 DBED C=CCN1CCN([C@H]2CCN(C(=O)c3cnnn3C)C2)CC1 1052023816 XXPBOHNTJDWWQD-ZDUSSCGKSA-N 304.398 -0.167 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)CC(=O)NC)C[C@@H]1C 1052426641 CZGYYUQSEQYIKS-RYUDHWBXSA-N 311.382 -0.464 30 20 DBED CNC(=O)[C@H](C)N1CC2(CN(C(=O)C#CC3CC3)CCO2)C1 1053249742 BMYHUJVDWANJGJ-LBPRGKRZSA-N 305.378 -0.553 30 20 DBED C=CCCN1CC2(C1)CN(C(=O)C[C@H]1CC(=O)NC1=O)CCO2 1053553453 PBFWTHNRFRBMPL-GFCCVEGCSA-N 321.377 -0.472 30 20 DBED C#CCN1CC2(CC[C@@H](CNC(=O)[C@@H]3CC(=O)N(CC)C3)O2)C1 1053607147 RGCYOULTPYIFEX-KGLIPLIRSA-N 319.405 -0.162 30 20 DBED C#CCN1CC2(CC[C@H](CNC(=O)[C@H]3CCNC(=O)CC3)O2)C1 1053638881 YUQVIHLVDXUAAD-ZIAGYGMSSA-N 319.405 -0.115 30 20 DBED C=CCCN1CC2(C[C@@H](NC(=O)C3CC(=O)NC(=O)C3)CO2)C1 1053955325 IFJIJQMKPQBVPQ-GFCCVEGCSA-N 321.377 -0.425 30 20 DBED N#Cc1nccnc1N1CCN(C(=O)c2c[nH]c(=O)cn2)CC1 1055989872 JNHILRAUQGURBC-UHFFFAOYSA-N 311.305 -0.606 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@](CO)(NC(=O)Cc2ncc[nH]2)C1 1056080231 PDTQCJSXVSAKFP-XHDPSFHLSA-N 319.365 -0.418 30 20 DBED CCn1nncc1C(=O)NC1[C@H]2CN(c3ccnc(C#N)n3)C[C@H]12 1056202501 PPPSHYQOQONLFD-UWVGGRQHSA-N 324.348 -0.176 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCC[C@H]2[C@H]1CCN2C(=O)C(N)=O 1056379650 KYLHBWKQCYVASG-RWSFTLGLSA-N 309.366 -0.609 30 20 DBED CN(c1cnc(C#N)cn1)[C@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1 1056873145 GIRHAFCNNVQBIG-NWDGAFQWSA-N 314.349 -0.336 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)[C@H]1COCCO1 1057041927 UPIAROJIIZFBHE-CYBMUJFWSA-N 312.366 -0.858 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)c1ccncc1 1057198972 FNDSOSCDUORDGW-UHFFFAOYSA-N 307.350 -0.165 30 20 DBED C#CCNC(=O)CC(=O)N(CCO)CCNC(=O)/C(C)=C\CC 1057390997 YCPGLTCUHNWYLU-MLPAPPSSSA-N 323.393 -0.581 30 20 DBED CC(=O)N1CC(C(=O)N(CCO)CCNC(=O)C#CC(C)C)C1 1057435242 WHJXKUIHSHTTQY-UHFFFAOYSA-N 323.393 -0.939 30 20 DBED C=CCCOCC(=O)NCCN(CCO)C(=O)c1n[nH]cc1C 1057532675 QLZJETJXPUNHOR-UHFFFAOYSA-N 324.381 -0.138 30 20 DBED Cc1cc(C#N)nc(N2CC[C@@H](NC(=O)[C@H]3COCCO3)C2)n1 1058304852 KXKUBPWBCBCRGW-DGCLKSJQSA-N 317.349 -0.233 30 20 DBED N#Cc1cnc(N2CC[C@H](NC(=O)Cn3ccccc3=O)C2)cn1 1058367147 GITOBHTZCNYKQM-LBPRGKRZSA-N 324.344 -0.095 30 20 DBED N#Cc1ccc(N2CC[C@@H](NC(=O)c3cncnc3O)C2)nn1 1058475886 CRQZJFOIYRXNSV-SNVBAGLBSA-N 311.305 -0.147 30 20 DBED C=C1CC(C)(C(=O)N(CCO)CCNC(=O)Cn2nccn2)C1 1058771057 PGERUYKWLWOSOJ-UHFFFAOYSA-N 321.381 -0.429 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@@H](CCNC(=O)CC(N)=O)C2)c1 1059429545 DIWQLCYCBBRGCI-SNVBAGLBSA-N 317.349 -0.270 30 20 DBED N#Cc1ccc(N[C@H]2C[C@@H](NC(=O)[C@H]3CNC(=O)N3)C2)cn1 1059802473 FLHPCOOXGYTLMY-GRYCIOLGSA-N 300.322 -0.306 30 20 DBED Cc1n[nH]cc1C(=O)N1CCOC[C@H]1CNC(=O)[C@@H](C)C#N 1061850864 CLQSVFSHEDKSMB-GXSJLCMTSA-N 305.338 -0.165 30 20 DBED N#Cc1nccnc1N1C[C@@H]2C[C@H]1CN2C(=O)CCn1ccnn1 1062480335 PCRAZKHJNZFJHT-RYUDHWBXSA-N 324.348 -0.180 30 20 DBED C#CCNC(=O)CC(=O)NC1(CNC(=O)[C@H]2CCOC2)CCC1 1062667836 JHCPULLZONIAOY-LBPRGKRZSA-N 321.377 -0.683 30 20 DBED CN(C(=O)Cn1cncn1)[C@H]1CCN(c2nccnc2C#N)C1 1062932927 JRYLIRHPHMBGNP-NSHDSACASA-N 312.337 -0.323 30 20 DBED C#CCOCCC(=O)NCC1(NC(=O)[C@H]2COCCO2)CCC1 1063038694 PEDATPHENOXGFZ-CYBMUJFWSA-N 324.377 -0.403 30 20 DBED C=CCCC(=O)NC1(CNC(=O)CN2CCOCC2=O)CCC1 1063403170 COWPHIQOGBZQOJ-UHFFFAOYSA-N 323.393 -0.034 30 20 DBED N#Cc1cncc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)c2c[nH]c(=O)cn2)n1 1064334401 RTPZYNIXUFMPNY-YKHWKNEFSA-N 323.316 -0.561 30 20 DBED C#CCO[C@@H](C)C(=O)NC1(CNC(=O)Cc2nc[nH]n2)CCC1 1064606973 QGPVMILWEGRDOA-NSHDSACASA-N 319.365 -0.459 30 20 DBED N#Cc1nccnc1NC[C@@H]1CCCN1C(=O)[C@H]1C[C@H]1C(N)=O 1065012298 KGZCWCPLHUJJOO-AXFHLTTASA-N 314.349 -0.127 30 20 DBED CN(C(=O)C(N)=O)[C@@H]1CCCN(c2ccnc(C#N)n2)CC1 1067607523 BMEVXRBMACVPKB-SNVBAGLBSA-N 302.338 -0.349 30 20 DBED N#Cc1nccc(N2C[C@@H](O)[C@H](CNC(=O)c3cc[nH]n3)C2)n1 1067651476 MESNGGNIZLGEOO-MWLCHTKSSA-N 313.321 -0.702 30 20 DBED CCC(=O)NCC(=O)N1CCOC2(C1)CN(C(=O)[C@H](C)C#N)C2 1068360268 WDLBUYXOWLNEGY-LLVKDONJSA-N 322.365 -0.888 30 20 DBED CCc1nc(C#N)cc(N[C@@H]2CCN(C(=O)C(N)=O)[C@@H]2C)n1 1068945765 KOTNJANXHMEKQR-PSASIEDQSA-N 302.338 -0.203 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1COC2(C1)CN(C(=O)c1cc[nH]n1)C2 1069004569 XCQJZTMBORJWJB-VHSXEESVSA-N 303.322 -0.331 30 20 DBED C=CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 1070026879 MCKNFIXKMWIIHJ-XQHKEYJVSA-N 318.381 -0.683 30 20 DBED C=CCN[C@@H]1CN(C(=O)[C@@H]2COC(=O)N2)C[C@H]1c1cn(C)cn1 1070488932 LVBUUJXFMXZKSL-UHTWSYAYSA-N 319.365 -0.402 30 20 DBED C=CCOCC(=O)N1CCC[C@@H](NC(=O)[C@]2(C)CCNC2=O)C1 1070552340 NYLBPIPQVGIRBB-MLGOLLRUSA-N 323.393 -0.178 30 20 DBED C=CCN1CC[C@]2(C1)CN(C(=O)CS(C)(=O)=O)C[C@@H](C)O2 1071144667 SCSGJIDHCIIUGA-OCCSQVGLSA-N 316.423 -0.091 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CC[C@@H](C)N(CC(=O)NC)C2)nn1 1071880902 UMGLJQPVJRPGRL-VXGBXAGGSA-N 320.397 -0.207 30 20 DBED C[C@@H]1CN(C(=O)Cn2cnnc2O)C[C@@H]1NC(=O)C#CC1CC1 1071942462 HSQYEFOZJFXRGI-PWSUYJOCSA-N 317.349 -0.640 30 20 DBED C#CCOCCC(=O)N1C[C@@H](NC(=O)CC(=O)NC)[C@H](C)C1 1072097722 QCNTXVFPUOAWPK-VXGBXAGGSA-N 309.366 -0.875 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCN(Cc3nc(=O)n(C)[nH]3)C2)C1 1072552366 OVOVPBLIMNYQOL-JTQLQIEISA-N 304.354 -0.698 30 20 DBED C=CCCOCC(=O)N[C@@H]1CCN(C(=O)CC(N)=O)C[C@H]1C 1074029513 HIZRRQKZTLTEIO-VXGBXAGGSA-N 311.382 -0.192 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H](C)CCNC(=O)[C@H](C)NC(N)=O 1076267513 WUZNYMBLWXIMPO-DCAQKATOSA-N 312.370 -0.908 30 20 DBED C=C[C@](C)(O)CC(=O)NCC[C@H](C)NC(=O)CCNC(N)=O 1076308416 DZKJYUOWEVGMPR-HZMBPMFUSA-N 314.386 -0.617 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2ccc3c(c2)NC(=O)CO3)C1 1077171787 UTCBVDJLHBQXDB-CHWSQXEVSA-N 315.329 -0.574 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN([C@H](C)COC)C[C@H]2O)nc1 1078031462 VGXPTVVAOXEZEW-KCPJHIHWSA-N 303.362 -0.127 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)Cc2csc3nccn23)C1 1078187043 RHCGUSDFHPOTBK-VXGBXAGGSA-N 304.375 -0.267 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)Cc2nc(C3CC3)nn2C)C1 1078203062 YAFHDAZZZXGSRM-CHWSQXEVSA-N 319.409 -0.028 30 20 DBED C#CCN[C@@H]1C[C@@H](NC(=O)Cn2c(O)nnc2O)C12CCC2 1078793836 BPTPLMSCYVDKRN-NXEZZACHSA-N 305.338 -0.661 30 20 DBED C#CCN[C@@H]1C[C@H](NC(=O)c2cn(C)c(=O)n2C)C12CCC2 1078823026 IPQZZKAYHRZBMY-OLZOCXBDSA-N 302.378 -0.012 30 20 DBED N#CCN1CCC2(CC1)CN(C(=O)c1cnn[nH]1)[C@@H]1COC[C@@H]12 1079250342 YUZCYZZUZAWPRB-WCQYABFASA-N 316.365 -0.119 30 20 DBED C=CCOCC(=O)N(CC)C1CN(C(=O)CCc2nc[nH]n2)C1 1079490569 VPSPLRZTFMVLAQ-UHFFFAOYSA-N 321.381 -0.001 30 20 DBED C#CCNC(=O)CC(=O)N(CC)C1CN(C(=O)C2(C)CC2)C1 1079647319 XIYNQHSOAJMVTN-UHFFFAOYSA-N 305.378 -0.015 30 20 DBED CCN(C(=O)C#CC1CC1)C1CN(C(=O)c2ncn(C)n2)C1 1079736976 RNCXBDWFCYTERC-UHFFFAOYSA-N 301.350 -0.099 30 20 DBED CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)[C@@]2(C)CCNC2=O)C1 1080416826 QYSBPZWSAZYSGX-BMIGLBTASA-N 306.366 -0.268 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)CCCC(N)=O)C[C@@H]1O 1081332021 ABOGTZWUXDDSNG-RYUDHWBXSA-N 311.382 -0.456 30 20 DBED CO[C@@H]1CN([C@H](C)C(N)=O)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 1081563435 PEONICGCDGUMRX-GGZOMVNGSA-N 305.338 -0.811 30 20 DBED C=CCCOCC(=O)NC[C@H]1CN(C(=O)CSC)C[C@@H]1O 1081566617 KBTZFHNSQSMPSA-RYUDHWBXSA-N 316.423 -0.122 30 20 DBED C=C(C)CCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2nc[nH]n2)C1 1081654738 ZSAFLXGJZPZXDN-MNOVXSKESA-N 307.354 -0.290 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1cn(C2CCC2)nn1 1081678371 OEIHAHYZSFDCBS-DGCLKSJQSA-N 304.354 -0.044 30 20 DBED C#Cc1ccc(C(=O)N2CCO[C@@H]3CN(CC(N)=O)C[C@@H]32)nc1 1083251635 AFEMCZGSNSBEEG-UONOGXRCSA-N 314.345 -0.927 30 20 DBED C=CCN1CC[C@@H]2CN(C(=O)c3cc(=O)n4[nH]cnc4n3)[C@@H]2C1 1084773633 XEFMJGWJFPSVTG-ZYHUDNBSSA-N 314.349 -0.250 30 20 DBED N#CCN1CC[C@H](NC(=O)c2ccn(CC(F)F)n2)[C@H](O)C1 1090345849 YIEABQRWOAPCNI-GXSJLCMTSA-N 313.308 -0.163 30 20 DBED COCC(=O)N[C@@H]1CN(c2nc(Cl)c(C#N)s2)C[C@H]1O 1090365094 JJCMEBXNXURLQW-RNFRBKRXSA-N 316.770 -0.020 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(c2nc(C)ncc2C)C[C@H]1O 1090488744 OOXLPXKRRSOLHK-MRVWCRGKSA-N 318.377 -0.203 30 20 DBED CCC[C@H](OC)C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1O 1090511060 JLJDAEOGZLYPSQ-UPJWGTAASA-N 319.365 -0.171 30 20 DBED CC(=O)N[C@@H](C)C(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1C 1090649128 GWYQNGMMRNEJMJ-GBIKHYSHSA-N 316.365 -0.186 30 20 DBED CCOCC(=O)N1CCO[C@@H]2CN(c3ccc(C#N)nn3)C[C@@H]21 1091035003 LXUYGYRTMFGMIQ-QWHCGFSZSA-N 317.349 -0.199 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(c2nccnc2F)C[C@@H]1O 1091152749 HFHQJKFCUZFBDJ-MXWKQRLJSA-N 308.313 -0.680 30 20 DBED COCCCC(=O)N[C@H]1CCN(c2cncc(C#N)n2)C[C@H]1O 1092137330 LKXYXXAKTDIWHZ-QWHCGFSZSA-N 319.365 -0.169 30 20 DBED C[C@@H]1CN(c2nccnc2C#N)C[C@H]1CCNC(=O)CC(N)=O 1092492418 UYJMVFQSUXWPHL-GHMZBOCLSA-N 316.365 -0.198 30 20 DBED CNC(=O)C1(C(=O)N2CCN(c3cnc(C#N)cn3)CC2)CC1 1093165528 WVKKGUIWUQCYRA-UHFFFAOYSA-N 314.349 -0.477 30 20 DBED N#CCN1CC(N2C[C@@H](NC(=O)[C@H]3C[C@@H]3C(F)F)CC2=O)C1 1094729917 NQFWPMBARCJCOM-LSJOCFKGSA-N 312.320 -0.188 30 20 DBED CC#CCN1CC(N2C[C@H](NC(=O)c3cnco3)CC2=O)C1 1094768242 RTPDFSJXGSGJON-LLVKDONJSA-N 302.334 -0.287 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)[C@]3(C)CCOC3)CC2=O)C1 1094801147 IVLVGBUGMZUORA-BLLLJJGKSA-N 305.378 -0.553 30 20 DBED Cn1cnn(CCC(=O)N2C[C@H]3C[C@@H](NCC#N)C[C@H]2C3)c1=O 1094968280 UACGQKLEMBCCSU-YNEHKIRRSA-N 318.381 -0.535 30 20 DBED CCNC(=O)CC(=O)N1CC[C@H](N(C)c2nccnc2C#N)C1 1095110190 FIAJXAKZGFZTCY-NSHDSACASA-N 316.365 -0.088 30 20 DBED CCN(CCCNC(=O)[C@H]1CNC(=O)N1)c1cnc(C#N)cn1 1095959835 CXXWSIMFQYUBEL-LLVKDONJSA-N 317.353 -0.638 30 20 DBED CC(=O)N[C@H](C)C(=O)N[C@H]1CCN(c2nc(C)cc(C#N)n2)C1 1096316906 KDDATTWSJQAGQH-PWSUYJOCSA-N 316.365 -0.124 30 20 DBED COCCOCC(=O)N[C@H]1C[C@@H](N=c2cc[nH]c(C#N)n2)C1 1097165850 KXECEUANKCAQDM-PHIMTYICSA-N 305.338 -0.508 30 20 DBED CN(C)CCOCC(=O)N[C@H]1C[C@@H](Nc2ccc(C#N)nn2)C1 1097198451 MBWSRZXYZYQZBG-BETUJISGSA-N 318.381 -0.014 30 20 DBED Cc1cc(C#N)nc(N[C@@H](C)CNC(=O)CCNC(N)=O)n1 1097855903 XMCNSNVPKVVIBC-VIFPVBQESA-N 305.342 -0.368 30 20 DBED C[C@H]1CN(C(=O)[C@H]2COC(=O)N2)CC2(CCN(CC#N)CC2)O1 1098593233 WERIQVGOBILLFN-NWDGAFQWSA-N 322.365 -0.300 30 20 DBED C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)CC2(CCN(CC#N)CC2)O1 1098654624 DIZDKVJJGJZXEU-OLZOCXBDSA-N 320.393 -0.130 30 20 DBED C=CCNCc1cn([C@H]2CCN(C(=O)[C@H](C)CC(N)=O)C2)nn1 1098696985 AZKRINPCJMRGTQ-YPMHNXCESA-N 320.397 -0.161 30 20 DBED N#CCNCc1cn([C@H]2CCN(C(=O)Cn3ccnc3)C2)nn1 1098790330 SKCQUKGMPNDLIE-ZDUSSCGKSA-N 314.353 -0.439 30 20 DBED C[C@H](CCNC(=O)CCn1cnnn1)Nc1cncc(C#N)n1 1099416864 IXHLARPVLFZHFV-SNVBAGLBSA-N 315.341 -0.268 30 20 DBED COCC#CCN1CC[C@H](NC(=O)CCCC(C)=O)[C@H](O)C1 1099673654 ZIJLEKORXWABQW-LSDHHAIUSA-N 310.394 -0.053 30 20 DBED C=CCCCN1CC[C@H](NC(=O)C2CS(=O)(=O)C2)[C@@H](O)C1 1099840565 DNMZMSNWMYBWDG-STQMWFEESA-N 316.423 -0.451 30 20 DBED C#CCCN1CC[C@H](NC(=O)CCCC(=O)N(C)C)[C@@H](O)C1 1100077944 BACPVKHCGFFCIH-KBPBESRZSA-N 309.410 -0.180 30 20 DBED CN(CCNC(=O)C[C@@H]1CCNC1=O)c1cncc(C#N)n1 1100193723 QRKLRWQMKNZQGR-JTQLQIEISA-N 302.338 -0.573 30 20 DBED C[C@@H]1OCCO[C@@H]1C(=O)NCCN(C)c1nccnc1C#N 1100390130 XYJVCEOYNQSCOS-JQWIXIFHSA-N 305.338 -0.295 30 20 DBED CC[C@]1(C(=O)NCCN(C)c2nccnc2C#N)CCNC1=O 1100402270 XVERSSDNXFHDOM-HNNXBMFYSA-N 316.365 -0.183 30 20 DBED CCC(=O)NCC(=O)NC[C@H]1CCN(c2ccc(C#N)nn2)C1 1100951447 CYVITGVUJYXUCO-LLVKDONJSA-N 316.365 -0.183 30 20 DBED CN(C)S(=O)(=O)CCC(=O)NCC1CC(NCC#N)C1 1101018214 BAJPXFVRHQQUBS-UHFFFAOYSA-N 302.400 -0.724 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)[C@H]1CCS(=O)(=O)C1 1101849208 ZTUKHWMYTWRXHF-JTQLQIEISA-N 323.378 -0.925 30 20 DBED CN(CCNc1cncc(C#N)n1)C(=O)[C@]1(C)CCC(=O)N1 1101934135 LVQZIXPSRMYOSW-AWEZNQCLSA-N 302.338 -0.113 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1CNC(=O)CNC(=O)N1CCCC1 1101958700 PRPMLMYJFWAWGK-CHWSQXEVSA-N 307.398 -0.001 30 20 DBED C[C@@H](C(=O)N(C)CCNc1cnc(C#N)cn1)S(C)(=O)=O 1102032713 WBHRWQCTZGUDOA-VIFPVBQESA-N 311.367 -0.348 30 20 DBED CC[C@H](CNC(=O)[C@H]1COCCN1C)Nc1cncc(C#N)n1 1103036754 QVTRJXHLGQCMMA-DGCLKSJQSA-N 318.381 -0.014 30 20 DBED N#Cc1cnc(NCC2(NC(=O)CNC(N)=O)CCCC2)cn1 1103393234 QNNIMIBHHXYPAO-UHFFFAOYSA-N 317.353 -0.143 30 20 DBED C#CCNC(=O)CNCC[C@@H]1CN(C(=O)CCOC)C[C@H]1C 1103801574 PBKKUSMQRSIQES-ZIAGYGMSSA-N 309.410 -0.154 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)C(C)(C)C(N)=O 1104120055 VFAMUGGRGAPDQZ-SECBINFHSA-N 304.354 -0.554 30 20 DBED CC(C)(O)CC(=O)NC[C@@H]1CN(c2cnc(C#N)cn2)CCO1 1104308696 SELHYQICNXSJHA-GFCCVEGCSA-N 319.365 -0.169 30 20 DBED C[C@@H](CNc1ccc(C#N)nn1)N(C)C(=O)Cn1cncn1 1104570281 LZCZEPYGPCRWCM-JTQLQIEISA-N 300.326 -0.101 30 20 DBED CNC(=O)NCC(=O)N(C)[C@@H](C)CNc1cncc(C#N)n1 1104856634 YJWYUKCVUDVZQO-VIFPVBQESA-N 305.342 -0.464 30 20 DBED C[C@@H]1CN(C(=O)CC[C@H]2NC(=O)NC2=O)C[C@H]1CCNCC#N 1104990010 CQGGNZCDHOMZLC-IJLUTSLNSA-N 321.381 -0.428 30 20 DBED Cc1ncncc1C(=O)NC[C@@H](O)CNc1cnc(C#N)cn1 1105722496 PMLZUCAJYRZNEF-NSHDSACASA-N 313.321 -0.351 30 20 DBED N#Cc1cnc(NC[C@H](O)CNC(=O)c2cccc(O)n2)cn1 1105776900 YCGCLDWIWWSXPQ-JTQLQIEISA-N 314.305 -0.348 30 20 DBED CNC(=O)CC(=O)NC[C@H](O)CNc1nc(C)ccc1C#N 1105798392 AKGMBYQMFFZELO-NSHDSACASA-N 305.338 -0.713 30 20 DBED Cc1ccnc(C(=O)NC[C@H](O)CNc2nccnc2C#N)n1 1105804612 WLOVFJMRODFQHC-SNVBAGLBSA-N 313.321 -0.351 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](O)CNC(=O)[C@H](O)C(C)C)n1 1105839589 ZCOOLVLHZRJVBU-NWDGAFQWSA-N 307.354 -0.437 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](C)[C@H](CNCCN2CCNC2=O)C1 1105945897 HYPSKVFFBBUOKE-YNEHKIRRSA-N 307.398 -0.145 30 20 DBED C[C@@H](CCNc1nccnc1C#N)NC(=O)[C@H]1CN(C)C(=O)N1 1106519395 KSHCHBLGFRDLGW-GXSJLCMTSA-N 317.353 -0.321 30 20 DBED C=CCNC[C@@H]1CN(C(=O)c2cn(C)c(=O)nc2O)C[C@H]1C 1106979964 SXORPBRLMVARPL-GHMZBOCLSA-N 306.366 -0.030 30 20 DBED N#Cc1nc(=NC/C=C/CNC(=O)c2ccc(O)nn2)cc[nH]1 1107020824 IZZVEHMOTFXRGF-OWOJBTEDSA-N 311.305 -0.336 30 20 DBED Cn1cc(CN2CCO[C@](C)(CNC(=O)C#CC3CC3)C2)nn1 1107933070 XVGAWCUUARHSHB-MRXNPFEDSA-N 317.393 -0.064 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)C[C@@H]2CCC(=O)NC2)C1 1107993912 GFZTYOLMAFJPLG-BBRMVZONSA-N 307.394 -0.257 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)c1ccc(C(N)=O)[nH]1 1108113174 OFQCISMAAIUOOO-MRVPVSSYSA-N 313.321 -0.572 30 20 DBED C[C@H](CN=c1cc[nH]cc1C#N)NC(=O)CN1CCOCC1=O 1108179133 CTEMQXBVZUAHAA-LLVKDONJSA-N 317.349 -0.849 30 20 DBED CC(=O)N1CC(C(=O)N[C@@H](C)CNc2cncc(C#N)n2)C1 1108330183 LDCZQVTULMIHIN-VIFPVBQESA-N 302.338 -0.257 30 20 DBED CC(C)(C)C(=O)NCC(=O)NC[C@]1(C)CN(CC#N)CCO1 1108393499 RYNSVMIPSJIAML-OAHLLOKOSA-N 310.398 -0.121 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cocn1 1109063920 QALNKPPVJYQDTE-MDZLAQPJSA-N 302.334 -0.241 30 20 DBED C#CCOCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1nnnn1C 1109272230 CYYOBSLSZDNEKJ-AGIUHOORSA-N 318.381 -0.529 30 20 DBED CNC(=O)C1(C(=O)NCC2(Nc3nccnc3C#N)CC2)CC1 1110175757 XFSHNTHLXDIRAE-UHFFFAOYSA-N 314.349 -0.065 30 20 DBED N#Cc1cncc(N2CC[C@](O)(CNC(=O)c3cc[nH]n3)C2)n1 1111031475 IBIUKODSSASNNP-AWEZNQCLSA-N 313.321 -0.557 30 20 DBED CC(C)OCC(=O)NC[C@@]1(O)CCN(c2ccc(C#N)nn2)C1 1111038141 UEJPOOGEQRYLGF-HNNXBMFYSA-N 319.365 -0.169 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(c2ccc(C)nn2)C[C@@H]1O 1112702308 QCNYQIWUXNJWJA-STQMWFEESA-N 306.366 -0.099 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(c2cc(C)ncn2)C[C@H]1O 1112739242 WLYNSIPXXZQZRX-ZIAGYGMSSA-N 318.377 -0.262 30 20 DBED CN(C)CCC(=O)NC[C@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1112754737 GEFTWHBSNGAAJJ-AAEUAGOBSA-N 318.381 -0.787 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)[C@@]2(F)CCOC2)CC1 1113257494 WSEHJTDPUAOEBW-SWLSCSKDSA-N 311.357 -0.603 30 20 DBED CC(=O)N[C@@H](C)C(=O)NC[C@@H](C)N(C)c1cnc(C#N)cn1 1113508727 MIQCTPLTFCDMMQ-ZJUUUORDSA-N 304.354 -0.186 30 20 DBED Cc1nc(CC(=O)NC[C@@H](C)N(C)c2cncc(C#N)n2)n[nH]1 1113586151 USRANBCZBPZGGN-SECBINFHSA-N 314.353 -0.042 30 20 DBED C[C@H](CNC(=O)C1(C(N)=O)CC1)N(C)c1ccnc(C#N)n1 1113845341 CYYJFIUHQXIXNR-SECBINFHSA-N 302.338 -0.445 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3ncoc3CC)[C@H]2C1 1114086352 VQHGBHLYGYWUOG-YABSGUDNSA-N 316.361 -0.354 30 20 DBED C=CCOCCN1C[C@@H]2C(NC(=O)c3cnn(C)c3N)[C@H]2C1 1114157275 BKFONZAOSCOQJU-RYUDHWBXSA-N 305.382 -0.135 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)CCS(C)(=O)=O)[C@H]2C1 1114478551 XOEMXMQFVZXTIR-IMRBUKKESA-N 314.407 -0.883 30 20 DBED CNC(=O)CC(=O)NCC1[C@@H]2CN(c3ccc(C#N)cn3)C[C@@H]12 1114530942 STBFEIXVVYYNGA-STQMWFEESA-N 313.361 -0.112 30 20 DBED Cc1ncc(C(=O)NC2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]23)n1C 1114730767 INPATQWDCIRSKI-GHMZBOCLSA-N 316.365 -0.972 30 20 DBED COc1ncc(NC(=O)C(=O)N(C)C[C@H](C)C#N)cc1C(N)=O 1116702748 CPEJUCPKDVKURD-MRVPVSSYSA-N 319.321 -0.254 30 20 DBED N#Cc1ccsc1NC(=O)C(=O)NC[C@@H]1CC[C@H](C(N)=O)O1 1117748529 CWQBAOHWEZTNHN-DTWKUNHWSA-N 322.346 -0.293 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)N[C@H]2CCN3CCC[C@H]3C2)C1 1118144969 GJUDVEDKLQRKBD-XEZPLFJOSA-N 320.393 -0.394 30 20 DBED C=C(C)[C@H]1OCC[C@H]1Cn1nnnc1N1CCC(O)(CO)CC1 1120114393 IXLOVOHGBKSLAS-QWHCGFSZSA-N 323.397 -0.022 30 20 DBED C#CCOCCn1nnnc1N1CCC[C@H](n2ccnn2)C1 1120251607 KPVQNPIQSZBXQA-LBPRGKRZSA-N 302.342 -0.244 30 20 DBED CC(C)[C@@H](O)C(=O)NC[C@@H](CO)Nc1ncc(C#N)cc1F 1121392776 HXRDQHZBIHKDMZ-CMPLNLGQSA-N 310.329 -0.002 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)[C@H]2CCCNC2=O)nc1 1122148027 QCAXGBOSWOZHPB-NEPJUHHUSA-N 317.349 -0.632 30 20 DBED C=C(C)Cn1c(CO)nnc1N1CCN(C(=O)COC)CC1 1122548513 QYYVFRUPEWQGCQ-UHFFFAOYSA-N 309.370 -0.359 30 20 DBED CN(C[C@H](O)CNc1cncc(C#N)n1)C(=O)c1cnns1 1124092183 WSPRZUPYIUSSLY-SECBINFHSA-N 319.350 -0.255 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)[C@@H](C)OC 1124281284 DGCHBONASQJTJV-NXEZZACHSA-N 300.359 -0.873 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)[C@@H]1CCNC(=O)C1 1125625133 OSAWDKMLOVGAKN-CYBMUJFWSA-N 322.409 -0.581 30 20 DBED CNC(=O)CC(=O)NCCNCc1ccc(OCC#N)cc1 1126161504 OGMQAVIRVMUTFB-UHFFFAOYSA-N 304.350 -0.069 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)CCc2ncc[nH]2)C1=O 1126436450 AETNDLIUKNBJLW-GFCCVEGCSA-N 305.382 -0.165 30 20 DBED O=C(C#CC1CC1)NCCNC[C@H](O)COC1CCOCC1 1126886554 WXXQMEYCUFHVKR-AWEZNQCLSA-N 310.394 -0.338 30 20 DBED C=C(C)CCNCc1nnc2n1CC[C@H](NC(=O)C(N)=O)CC2 1128032828 MLSKTIQZNMFXFI-LLVKDONJSA-N 320.397 -0.360 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H](C)NC(=O)CC)C1 1129009475 BOZYPYKRMYPNBX-XQQFMLRXSA-N 320.397 -0.280 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1nc2cnccc2s1 1131148629 XJKUSSJODTVBLE-UHFFFAOYSA-N 317.374 -0.240 30 20 DBED C[C@H]1CC[C@@H](NC(=O)Cn2cccn2)CN1CC(=O)NCC#N 1131787810 MJGBVGKRFGSFBD-QWHCGFSZSA-N 318.381 -0.508 30 20 DBED CC[C@@H](C(=O)NCCNCC(=O)N(CC)CCC#N)N(C)C 1133982959 QHMUZMLGGSQLKK-ZDUSSCGKSA-N 311.430 -0.205 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)c1cnn(C)c1N 1134152449 OKVKJNPOPXDTLP-QWRGUYRKSA-N 320.397 -0.762 30 20 DBED COCC#CCN[C@@H](C)C[C@H](C)NC(=O)C1CN(C(C)=O)C1 1134240135 MMRQLVORXDOVHJ-STQMWFEESA-N 309.410 -0.013 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)CCCCCNC(C)=O 1150072074 UWPOGGMJONXCPP-CYBMUJFWSA-N 324.425 -0.473 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)CCCS(C)(=O)=O)C1 1150445730 XTNPEXKNQPDAEQ-CYBMUJFWSA-N 316.423 -0.349 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)c1cnn(CC)n1 1157526769 SGRQYDDYNJLOOM-LLVKDONJSA-N 306.370 -0.855 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NCCCNCC(=O)NCC#N 1158310136 KQJSXEJFOOBHOB-OLZOCXBDSA-N 308.382 -0.297 30 20 DBED CC#CCN(C)C[C@H]1CCCCN1C(=O)[C@@H]1CC(=O)NC(=O)N1 1158529138 IKKIMRPKKAEJBB-OLZOCXBDSA-N 320.393 -0.079 30 20 DBED C=CCNC(=O)CNCCCNC(=O)Cc1cn(C)nc1C 1160054468 KVHQAGJZAJEADP-UHFFFAOYSA-N 307.398 -0.331 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)C[C@H]1CCN(C)C1=O 1160592126 OHNRNNAXJBERLO-CHWSQXEVSA-N 322.409 -0.911 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)[C@H]2CCC(=O)NC2)C1=O 1161628042 LBTDVLSNMGUZDN-STQMWFEESA-N 322.409 -0.605 30 20 DBED C#CCNC(=O)CC(=O)NCC1(COC)CCN(CC#N)CC1 1162218595 BKUSEBHWTXWNHG-UHFFFAOYSA-N 320.393 -0.506 30 20 DBED Cc1cc(C)c(C(=O)NCCCNCC(=O)NCC#N)c(O)n1 1163558299 ZRKXOUQEFRYTMG-UHFFFAOYSA-N 319.365 -0.247 30 20 DBED COCC#CCNCC1(CCNC(=O)[C@H]2COCCN2C)CC1 1164186120 ILIZTTWQKAIKFC-OAHLLOKOSA-N 323.437 -0.157 30 20 DBED N#CCNCC1(CCNC(=O)CCCN2C(=O)CNC2=O)CC1 1168057327 APGITYVNYZGGTM-UHFFFAOYSA-N 321.381 -0.282 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)CCCn1cncn1 1170289997 YMXFOXBWJVAPAS-CYBMUJFWSA-N 320.397 -0.708 30 20 DBED CCCc1nc(C(=O)NCCCNCC(=O)NCC#N)co1 1171071892 LDMCEBKIMDCWOF-UHFFFAOYSA-N 307.354 -0.024 30 20 DBED C#Cc1ccc(C(=O)NCCCNCc2nc(=O)n(C)[nH]2)cn1 1171590197 WFBOYETZPSETKP-UHFFFAOYSA-N 314.349 -0.606 30 20 DBED C=CCNC(=O)CNCCCNC(=O)C[C@@H]1CCCCC(=O)N1 1174665838 FCGSQSCZIZRMBD-ZDUSSCGKSA-N 324.425 -0.167 30 20 DBED C[C@@H](CCCCNCC#N)NC(=O)C1CC2(C1)NC(=O)NC2=O 1175663132 AFTRVNXLOMZVHV-NLTNOIMHSA-N 321.381 -0.237 30 20 DBED CC#CCNC[C@@H]1CCN(C(=O)Cn2c(O)nnc2O)C[C@H]1C 1185572952 LGRMUSULPVJUJT-NEPJUHHUSA-N 321.381 -0.213 30 20 DBED N#CCNC[C@H]1CN(C(=O)c2nc[nH]n2)CC12CCOCC2 1186521708 KDWSYZGSONQPGS-NSHDSACASA-N 304.354 -0.213 30 20 DBED Cn1cc(C(=O)N2CC[C@H]3CN(CC(=O)NCC#N)C[C@H]32)cn1 1186778723 OKKMXRKGCTUWLU-WCQYABFASA-N 316.365 -0.794 30 20 DBED C#CCN[C@@H]1CCN(C(=O)CNC(=O)NCc2ccco2)C1 1188092237 RZBGDIZHUYUVRY-GFCCVEGCSA-N 304.350 -0.098 30 20 DBED C=CCOCCN(C)[C@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1 1192906260 JSMDRCHWIGXYQD-LBPRGKRZSA-N 324.381 -0.727 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H](CCC)S(N)(=O)=O)C1 1194976092 QVTLISWKZBSTLO-IJLUTSLNSA-N 319.427 -0.819 30 20 DBED N#CCNC(=O)CN1CCCN(C(=O)c2cncs2)CC1 1195007759 ILZQOZGQEZELIG-UHFFFAOYSA-N 307.379 -0.069 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)c2csc(O)n2)C1 1195473180 KOQUSDIFQOCDAU-MWLCHTKSSA-N 313.379 -0.174 30 20 DBED CN1CCCC[C@@H]1C(=O)N1CCCN(CC(=O)NCC#N)CC1 1196294802 CBVGCLHLVBBOLM-CQSZACIVSA-N 321.425 -0.355 30 20 DBED CCO[C@H]1C[C@H]1C(=O)N1CCC(NCC(=O)NCC#N)CC1 1199484722 CRFLIEVJNCPASS-OLZOCXBDSA-N 308.382 -0.368 30 20 DBED C#CCCNC[C@H]1CN(C(=O)CC(=O)NCC#C)CCCO1 1200321875 LENYLGQCAVQEGM-AWEZNQCLSA-N 305.378 -0.644 30 20 DBED C#CCNC[C@@H]1CN(C(=O)CCS(C)(=O)=O)CCCO1 1200825183 YCLKEYAISLXFOI-GFCCVEGCSA-N 302.396 -0.739 30 20 DBED C=CCCNC[C@H]1CN(C(=O)C2CC(=O)NC(=O)C2)CCCO1 1201629152 CNQWDRPCODEBRV-ZDUSSCGKSA-N 323.393 -0.178 30 20 DBED C=CCOCC(=O)N[C@@H]1C[C@H](NCc2nnn(C)n2)C12CCC2 1202634820 VMKXUPGYQHSFDH-NWDGAFQWSA-N 320.397 -0.070 30 20 DBED C#CCNCC1CCN(C(=O)CCc2nnc(O)nc2O)CC1 1205608865 KVIMZIFYEURNBP-UHFFFAOYSA-N 319.365 -0.323 30 20 DBED C=C(C)CNCC1CCN(C(=O)CN2CCNC(=O)C2)CC1 1205860883 RRUCUVBKOWOXRZ-UHFFFAOYSA-N 308.426 -0.178 30 20 DBED C#CCN1C[C@@H](NC(=O)CCCn2c(O)nnc2O)[C@H](C)C1 1207784771 UEZMNZFQEZLRJT-GHMZBOCLSA-N 307.354 -0.461 30 20 DBED Cc1[nH]nc(C(=O)N2CCC[C@H](NCC(=O)NCC#N)C2)c1O 1207806377 CNWYDHFSJVHXNU-JTQLQIEISA-N 320.353 -0.742 30 20 DBED C#CCCN[C@H]1CCCN(C(=O)CCS(=O)(=O)NC)C1 1208038855 QKDLZUPQOJSOHU-LBPRGKRZSA-N 301.412 -0.470 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1209112911 YCOOKSCPMWASFZ-NMKXLXIOSA-N 306.366 -0.901 30 20 DBED CC(=O)NC(C)(C)C(=O)N1CCC[C@H](NCC(=O)NCC#N)C1 1210174370 DLYKXTWNZJYKHJ-LBPRGKRZSA-N 323.397 -0.879 30 20 DBED CC(C)(C)NS(=O)(=O)CC(=O)N1CCC[C@H](NCC#N)C1 1211132326 BLAQHMYNDJWXHO-NSHDSACASA-N 316.427 -0.192 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)COCC=C 1217550180 SOLZFTCXNYJHCM-UONOGXRCSA-N 323.393 -0.597 30 20 DBED COCC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1ccnnc1 1218676915 LQKSMRDGFUPWBU-LSDHHAIUSA-N 316.361 -0.348 30 20 DBED CCn1ncc(CN2C[C@H](O)[C@H](NC(=O)CSCC#N)C2)n1 1219219846 POMMVFLUUOZBDA-NEPJUHHUSA-N 324.410 -0.784 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CN(Cc2cn(CC3CC3)nn2)C[C@@H]1O 1219379459 UDGVXRULOJMUTM-HONMWMINSA-N 318.381 -0.491 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2c(C)coc2C)C1 1219551043 PCEDDQUEPPBQGB-OLZOCXBDSA-N 319.361 -0.579 30 20 DBED C#CCCCCCC(=O)N[C@@H]1CN([C@H](CC)C(N)=O)C[C@@H]1O 1220146689 MUGNIUVMKKPVGU-MCIONIFRSA-N 309.410 -0.005 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1CN(CCN2C(=O)CCC2=O)C[C@@H]1O 1220147478 COTITBYJROGYLP-NEPJUHHUSA-N 323.393 -0.491 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)C[C@H]2CCC(=O)N2)C1 1220528635 WWFWWBNUUQTWSO-UPJWGTAASA-N 311.382 -0.981 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(Cc2nnc(C)o2)C[C@@H]1O 1221139549 CLECHAZPTKNCNT-NEPJUHHUSA-N 310.354 -0.368 30 20 DBED COCC#CCN1CC[C@@H]2CN(C(=O)[C@H](C)NC(C)=O)[C@@H]2C1 1221248573 BGERNIGGKALXMG-NWANDNLSSA-N 307.394 -0.307 30 20 DBED N#CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3ccncn3)[C@@H]2C1 1221879389 BSXMEHPYKKVKPY-DGCLKSJQSA-N 314.349 -0.737 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CCCC[C@H]1NCCNS(C)(=O)=O 1225427630 USOJJGQFHNCOEQ-QJPTWQEYSA-N 316.427 -0.288 30 20 DBED C=C[C@@](C)(O)CC(=O)NC1CCN(C[C@@H](O)COC)CC1 1227124335 RAEHATROMVMJAQ-UKRRQHHQSA-N 300.399 -0.099 30 20 DBED COCC#CCN1CCC(NC(=O)c2cc(C(N)=O)c[nH]2)CC1 1229731512 CLCFNXDTXRLAOA-UHFFFAOYSA-N 318.377 -0.042 30 20 DBED CCOCCC(=O)NCC[C@@H]1CN(CC#N)CCS1(=O)=O 1230436142 LOIXMZYBAGSJIC-GFCCVEGCSA-N 317.411 -0.458 30 20 DBED N#CCNC(=O)CN1CCC[C@H](NC(=O)C[C@@H]2CCCO2)C1 1266205779 QKEPPNSCFAXTHE-STQMWFEESA-N 308.382 -0.224 30 20 DBED COCC(=O)NCCC(=O)OCC(=O)N[C@](C)(C#N)C(C)C 1317848387 JCALXOVOAYSJSA-CQSZACIVSA-N 313.354 -0.263 30 20 DBED CC(C)(C#N)C(=O)NCCNS(=O)(=O)Cc1ccon1 1318955820 IIIVAQBATKFZEO-UHFFFAOYSA-N 300.340 -0.240 30 20 DBED CN(CCCSCC#N)CC(=O)N[C@H]1CCS(=O)(=O)C1 1319375587 IYMZGUFXZUNECD-NSHDSACASA-N 319.452 -0.132 30 20 DBED C#CCOCCNC(=O)C(=O)N1CC[C@H](OCCOCC)C1 1322967735 YVUNBXMIKLSHPM-ZDUSSCGKSA-N 312.366 -0.594 30 20 DBED CC#CCCNC(=O)C(=O)N[C@H](CC)C(=O)N1CCOCC1 1323574906 XAGFNFWPWRKJSL-GFCCVEGCSA-N 309.366 -0.730 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCC[C@@](C)(O)C1 1323730561 XHTZNQSLMMDBJW-CYBMUJFWSA-N 318.395 -0.923 30 20 DBED CN1CC[C@H](NC(=O)C(=O)NCc2cccc(C#N)c2)C1=O 1325538859 IYHHGQSAMLWKQK-LBPRGKRZSA-N 300.318 -0.479 30 20 DBED C=CCOCCNC(=O)C(=O)N1CCCN(CCC)C(=O)C1 1327428284 WLGRNKPGCYQKNL-UHFFFAOYSA-N 311.382 -0.224 30 20 DBED Cn1cc(NC(=O)C(=O)N2CCN(CCC#N)CC2)ccc1=O 1330223875 UNSFRHBDUQHHHP-UHFFFAOYSA-N 317.349 -0.618 30 20 DBED CN(C)C(=O)CCNC(=O)C(=O)NCc1cc(C#N)ccc1F 1334517308 KTXCQXSXCHPNOE-UHFFFAOYSA-N 320.324 -0.092 30 20 DBED C#CCN1CCC(c2nnc(N3CC[C@@H](C(N)=O)C3)n2C)CC1 1338167177 UOMYUWPOFSYEJI-CYBMUJFWSA-N 316.409 -0.061 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCC[C@@H](c2ccnn2C)C1 1342445641 NPWYOMYIXNICLM-CYBMUJFWSA-N 318.377 -0.108 30 20 DBED Cc1cc(C[C@@H](C)NC(=O)Cn2cc(C#N)c(O)nc2=O)n[nH]1 1362568182 NCQSDOOVIRVTQK-MRVPVSSYSA-N 316.321 -0.401 30 20 DBED CN(C)c1ccnc(NC(=O)Cn2cc(C#N)c(O)nc2=O)c1 1362704586 VUVCEMNJETZRMB-UHFFFAOYSA-N 314.305 -0.080 30 20 DBED N#CCOc1ccc(CC(=O)NC[C@H](O)Cn2ccnn2)cc1 1362816534 DNLHGPJRPABQNQ-ZDUSSCGKSA-N 315.333 -0.100 30 20 DBED N#Cc1ncn(CC(=O)N2CCC3(CC2)C[C@@H](O)CCO3)n1 1363595284 DXSLNLZREFIIEU-NSHDSACASA-N 305.338 -0.318 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(CC(=O)Nc2cnccn2)CC1 1364940052 KFHXRNUTSVSIPG-NSHDSACASA-N 302.338 -0.281 30 20 DBED CCn1ncnc1CNC[C@H](O)CNC(=O)c1cc(C#N)c[nH]1 1379188817 YZYUSVJVODGUIR-NSHDSACASA-N 317.353 -0.622 30 20 DBED CN(CCNC(=O)c1c[nH]c(=O)cn1)C(=O)c1cc(C#N)c[nH]1 1388023934 HMNLRUYIWHRJEI-UHFFFAOYSA-N 314.305 -0.528 30 20 DBED COCC(=O)N(C)CC(=O)NCC1(NC(=O)[C@H](C)C#N)CC1 1389863449 CLYPQZRGKSBIII-SNVBAGLBSA-N 310.354 -0.984 30 20 DBED CCc1cc(C(=O)NC[C@H](O)CNC(=O)[C@H](C)C#N)c(C)nn1 1392148383 WLELXTGOAROLEL-BXKDBHETSA-N 319.365 -0.286 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CCN(C(=O)COCc2ccnn2C)C1 1396960232 WYZUPEBUZRFZIX-RYUDHWBXSA-N 319.365 -0.187 30 20 DBED C[C@@H](C#N)C(=O)N(C)C[C@@H]1CCCN(C(=O)Cn2ncnn2)C1 1397084929 UKVNQLMVPXYZIU-RYUDHWBXSA-N 319.369 -0.470 30 20 DBED C[C@H](C#N)C(=O)N1CC(CNC(=O)C[C@H]2CCN(C)C2=O)C1 1409151197 QHLSZOYXRZBKJU-ZYHUDNBSSA-N 306.366 -0.411 30 20 DBED Cc1nc(O)nc(O)c1CC(=O)N1CC(NC(=O)[C@@H](C)C#N)C1 1416045321 FMJILJAPIHZEKD-ZETCQYMHSA-N 319.321 -0.775 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@](C)(NC(=O)CN2CCCNC2=O)C1 1417337810 XRIBJFUFLVVIFQ-XHDPSFHLSA-N 321.381 -0.331 30 20 DBED CN(CC(=O)Nc1c[nH]nc1C#N)S(=O)(=O)c1cccnc1 1417569076 MRVYTNKCPTZKII-UHFFFAOYSA-N 320.334 -0.064 30 20 DBED Cn1cnc(S(=O)(=O)NCC(=O)N2CCC[C@@H](C#N)C2)c1 1419381309 SXPFFJFWAQOKGI-JTQLQIEISA-N 311.367 -0.539 30 20 DBED CCN(CCNC(=O)[C@H](C)C#N)Cc1cc(=O)n(C)c(=O)n1C 1420370510 RBIBBXJCSFLCHO-LLVKDONJSA-N 321.381 -0.818 30 20 DBED COC(=O)CNC(=O)CNC(=O)Nc1cccc(OCC#N)c1 1425128086 AXRNFVQLRKZSBB-UHFFFAOYSA-N 320.305 0.000 30 20 DBED N#CCCN1CCN(C(=O)NCc2nnnn2C2CC2)CC1 1427041958 VQTIBJQWWLETDD-UHFFFAOYSA-N 304.358 -0.251 30 20 DBED COC(=O)NCC(=O)N[C@@H](C)CN(C)C(=O)c1cc(C#N)c[nH]1 1427523324 RUEJCTBNLAROQI-VIFPVBQESA-N 321.337 -0.181 30 20 DBED COC(=O)NCC(=O)N1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 1429509275 ONCAMYGBUKSILS-SNVBAGLBSA-N 319.321 -0.427 30 20 DBED C[C@H](C#N)C(=O)N[C@@H](CNC(=O)CCS(C)(=O)=O)C1CC1 1430002109 FKWSRGYBNNFIOU-KOLCDFICSA-N 315.395 -0.408 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNCC(=O)Nc1cccc(F)c1 1438983562 MTZFJQVYBMZRRW-GWCFXTLKSA-N 322.340 -0.009 30 20 DBED C=C(Br)CNC[C@@H](O)CN(C)C(=O)CNC(=O)O 1573321301 LEAYNKOBOUUCJK-MRVPVSSYSA-N 324.175 -0.429 30 20 DBED N#CCN[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1581858524 KGGZECBVLLZJIZ-JTQLQIEISA-N 300.326 -0.087 30 20 DBED C#CC[C@H]1NC(=O)N([C@@H]2CCCCN(CC(=O)O)C2=O)C1=O 1588391176 CAPUDCDQKFYHEH-NXEZZACHSA-N 307.306 -0.604 30 20 DBED C=CC(C)(C)C(=O)NCCN=c1cc[nH]c(-c2nn[nH]n2)n1 1588477694 CQNLMRFYZIYUMX-UHFFFAOYSA-N 302.342 -0.181 30 20 DBED C=CCn1cc(C(=O)N2CC[C@@H](C(=O)OC)C[C@H]2C(=O)O)nn1 1588910391 WKQOKMOHLMPWTF-KOLCDFICSA-N 322.321 -0.058 30 20 DBED C[C@@H](C#N)CNC(=O)C(=O)Nc1cnn(C(C)(C)C(=O)O)c1 1589330871 TUIMVHTWGXAIAB-QMMMGPOBSA-N 307.310 -0.083 30 20 DBED C[C@H](NC(=O)[C@@H](C#N)Cc1ccc(-c2nn[nH]n2)cc1)C(N)=O 1589915784 OTYNWAVDEZPCCL-GZMMTYOYSA-N 313.321 -0.461 30 20 DBED Cc1c(C#N)c(NC(=O)[C@H]2CCCN(CC(=O)O)C2=O)nn1C 1594253059 MSWXOKDDJCSDNY-SECBINFHSA-N 319.321 -0.138 30 20 DBED N#Cc1ccc(S(=O)(=O)N[C@@]2(CC(=O)O)CCOC2)nc1 1601112794 OTDTXFKUQVAXQA-GFCCVEGCSA-N 311.319 -0.135 30 20 DBED N#Cc1cn(CCC(=O)NCCCCC(=O)O)c(=O)nc1O 1601129164 OXPACDPAYFSALJ-UHFFFAOYSA-N 308.294 -0.418 30 20 DBED Cn1nc2c(c1N)CN(c1cnc(C#N)c(-c3nn[nH]n3)n1)C2 1606271251 TUZPXZRTPYYMMF-UHFFFAOYSA-N 309.297 -0.636 30 20 DBED N#CCNC(=O)CNC(=O)Nc1cccc(-c2nn[nH]n2)c1 1606349793 HOIZXHPUEPMLCI-UHFFFAOYSA-N 300.282 -0.372 30 20 DBED CO[C@]1(C(=O)O)CCN(C(=O)C(=O)N2CCC[C@@H](C#N)C2)C1 1606691195 KINMGYBYGYZQTA-IINYFYTJSA-N 309.322 -0.549 30 20 DBED Cn1cc(C(=O)O)cc1S(=O)(=O)N1CCN(CC#N)CC1 1608103257 RHQXPMHLHQKHTE-UHFFFAOYSA-N 312.351 -0.447 30 20 DBED Cc1nc(C(=O)N2CCCN(CC(N)=O)CC2)ccc1C#N 1649696606 OPRWKTYGZZTDLS-UHFFFAOYSA-N 301.350 -0.105 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)c2ccncc2C)C1 1732153944 PINPVXFMSCMHHR-CYBMUJFWSA-N 300.362 -0.056 30 20 DBED CN(CCNC(=O)CCN1CCCCC1)CC(=O)NCC#N 1753074663 PQRAJNMZGMQJEA-UHFFFAOYSA-N 309.414 -0.450 30 20 DBED N#CCNC(=O)CN1CC(NC(=O)[C@H]2CC23CCOCC3)C1 1753394990 TUKFJNWAUBRPDS-GFCCVEGCSA-N 306.366 -0.757 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC(CNC(=O)[C@]2(F)CCOC2)C1 1753410186 AXIYZCYBYQCNGC-ABAIWWIYSA-N 311.357 -0.699 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C[C@H]1CN2C(=O)CN1CC[C@H](C)C1 1753424631 FNZAXBXRDQBGHC-KKUMJFAQSA-N 318.421 -0.637 30 20 DBED N#CCNC(=O)CNCC[C@@H]1CCCCN1C(=O)c1cnon1 1753784843 CHPJKPVZJODOOY-NSHDSACASA-N 320.353 -0.316 30 20 DBED CN(CC#N)CCN(C)C(=O)c1coc(S(N)(=O)=O)c1 1753857085 FOCXKGTTYKYMLN-UHFFFAOYSA-N 300.340 -0.546 30 20 DBED C#CCNC(=O)CNC[C@H](NC(=O)Cc1cc(C)on1)C1CC1 1754434360 AESFXTCVTUXDLW-AWEZNQCLSA-N 318.377 -0.241 30 20 DBED COCC#CCN1CC[C@H]1CNC(=O)c1cn(C)ccc1=O 1754488412 CHGYUDRUHXQLPR-ZDUSSCGKSA-N 303.362 -0.161 30 20 DBED CC(C)=CC(=O)N[C@H]1COC2(C1)CN(CC(=O)NCC#N)C2 1755058823 LIACTWGUHYTAOV-GFCCVEGCSA-N 306.366 -0.448 30 20 DBED C[C@H]1C[C@@H](NC(=O)c2cccnn2)CCN1CC(=O)NCC#N 1755168014 WAVFANAMWQZARJ-RYUDHWBXSA-N 316.365 -0.301 30 20 DBED C#CCNC(=O)CN1CC(CCO)(NC(=O)C2(C)CCC2)C1 1755335262 ARQVYOZSSATHDN-UHFFFAOYSA-N 307.394 -0.521 30 20 DBED COCC#CCN(C)C[C@@H](O)CN(C)C(=O)[C@H](C)n1cccn1 1755798668 YPLYFRVHTOARPZ-LSDHHAIUSA-N 322.409 -0.155 30 20 DBED C#Cc1ccc(C(=O)N[C@H](CO)CNC(=O)[C@@H](C)COC)cn1 1756520442 WURLOWJSCLRYLG-FZMZJTMJSA-N 319.361 -0.448 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](CO)NC(=O)C#CC1CC1 1756550178 PJVBESXNOJRAKN-MCIONIFRSA-N 306.362 -0.416 30 20 DBED C[C@H]1C[C@@H](NC(=O)CC(=O)N(C)C)CN1C(=O)C#CC1CC1 1756588127 NSUUJWPHZBOKQX-WCQYABFASA-N 305.378 -0.016 30 20 DBED C#CCCCC(=O)N1CC[C@H](NC(=O)[C@H]2CN(C)C(=O)N2)[C@H]1C 1757532197 KZUHOYDWXCDNIH-FRRDWIJNSA-N 320.393 -0.081 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(C)nn1C)CCO2 1783048389 ZOHYEIJNBSJKHG-MRXNPFEDSA-N 316.361 -0.195 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)CC1(O)CCC1)CCO2 1783054138 SMIHOHXLOXQYBQ-INIZCTEOSA-N 306.362 -0.245 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cc(C)on1)C2 1800455959 DTPMLMVSZFLUPA-DRXBFXEBSA-N 317.345 -0.252 30 20 DBED NCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C#CC(=O)O)CC2 1814793968 NTQMPXKLQBJCGL-ZETCQYMHSA-N 322.346 -0.898 30 20 DBED C#CCNC(=O)CN1CCN(CC(=O)Nc2ccccc2)CC1 24248907 HUKHCDOFTVNDIU-UHFFFAOYSA-N 314.389 -0.008 30 20 DBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCC(N)=O 268820428 GYHNFCMSIOCKDC-SECBINFHSA-N 324.362 -0.783 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCO[C@H](C)[C@H]2C)C1=O 268914298 UHFWFDZLJRWNGV-NXEZZACHSA-N 309.322 -0.401 30 20 DBED C=CCN1CC[C@H](N(C)Cc2cn(C)c(=O)n(C)c2=O)C1=O 281268496 NREXQOXEUGSGJK-LBPRGKRZSA-N 306.366 -0.697 30 20 DBED CCOC(=O)[C@H]1CCCN(C(=O)CN(C)C(=O)/C=N/OC)C1 283827897 ZKNFXOZYGMWJKC-UXYFDLPDSA-N 313.354 -0.121 30 20 DBED N#Cc1ccc(S(=O)(=O)NCCN2CCCS2(=O)=O)o1 286708683 BAYWVULROJSJQZ-UHFFFAOYSA-N 319.364 -0.535 30 20 DBED COc1ccc(C#N)cc1NC(=O)C(=O)N1CC(=O)N[C@@H](C)C1 296345568 WFWKUJOJABIEHI-VIFPVBQESA-N 316.317 -0.148 30 20 DBED C[C@H]1CN(C(=O)C(=O)Nc2ccc(C#N)cc2F)CC(=O)N1 296374408 YAMCLNJTKWPNGG-QMMMGPOBSA-N 304.281 -0.017 30 20 DBED CC(C)/N=C(/O)NC(=O)[C@H](C)N1CCN(C(=O)[C@H](C)O)CC1 330557137 HLTXBOHNXAMJCK-QWRGUYRKSA-N 314.386 -0.662 30 20 DBED CN(C)C[C@@H]1CN(/C(O)=N/CCCS(C)(=O)=O)CCO1 330862394 XHWHHRGHALFSFB-LLVKDONJSA-N 307.416 -0.403 30 20 DBED CC(C)CN1CCO[C@H](C/N=C(/O)N2C[C@@H](O)C[C@H]2CO)C1 331110057 INBJUPQVFSSLPH-MELADBBJSA-N 315.414 -0.315 30 20 DBED CC[C@H](C)N(C)CC/N=C(/O)N1CC[C@H](S(N)(=O)=O)C1 331302057 XCNFTZYRPVPZGO-QWRGUYRKSA-N 306.432 -0.007 30 20 DBED C=C(C)[C@H]1OCC[C@H]1CNC(=O)CN1CCS(=O)(=O)CC1 333070651 OSLLOGVSWXYBRG-GXTWGEPZSA-N 316.423 -0.186 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC[C@@H](S(C)(=O)=O)C1 336933054 CWLNOBHRZPUFJR-WDEREUQCSA-N 323.440 -0.168 30 20 DBED N#Cc1ccc(NC(=O)C(=O)NC[C@@]2(O)CCOC2)c(F)c1 339153027 UCHDFPJFYWADHR-AWEZNQCLSA-N 307.281 -0.097 30 20 DBED Cn1cnn(-c2ccc(NC(=O)Cn3cnc(C#N)n3)cc2)c1=O 343049760 IGAYBLTVFSLDNR-UHFFFAOYSA-N 324.304 -0.327 30 20 DBED CCN1CCN(C[C@H](C)CNC(=O)NCC(=O)NCC#N)CC1 345104012 INKVWXNVGSBRCT-CYBMUJFWSA-N 324.429 -0.801 30 20 DBED Cc1cc(S(=O)(=O)N2CCN(C(=O)CO)CC2)ccc1C#N 408437364 VKAVTOBIUPQSQO-UHFFFAOYSA-N 323.374 -0.308 30 20 DBED CCOC(=O)[C@@H]1CN(S(=O)(=O)[C@H](C)C#N)CC12COC2 416489491 QHVKHDSGIBDJBY-ZJUUUORDSA-N 302.352 -0.260 30 20 DBED N#Cc1ccc(OCCNC(=O)C(=O)N[C@H]2CCNC2)cc1 419459511 CXBYGKMOILKFIJ-LBPRGKRZSA-N 302.334 -0.469 30 20 DBED CC1(C)CCCN[C@H]1CNC(=O)C(=O)N1CCO[C@H](C#N)C1 420158307 HEKBYHFXWHMOFW-NEPJUHHUSA-N 308.382 -0.368 30 20 DBED COc1cc(C#N)ccc1S(=O)(=O)NC[C@H]1CNCCN1C 420460042 RRCLELZKJNENGS-GFCCVEGCSA-N 324.406 -0.251 30 20 DBED N#CCCn1ccc(=NC(=O)NCCN=c2cncc[nH]2)[nH]1 438323707 JBGWJTAFTWHRTF-UHFFFAOYSA-N 300.326 -0.336 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@@H](C)CC(=O)OC)CC1 491652427 AIIFGHPWNDBEHO-LBPRGKRZSA-N 309.366 -0.921 30 20 DBED N#Cc1ncn(CC(=O)N2CC(=O)N(Cc3ccccc3)C2)n1 551916584 DLAYJBKIQVDLQG-UHFFFAOYSA-N 310.317 -0.022 30 20 DBED N#CC[C@]1(O)CCN(C(=O)CNC(=O)NCc2ccco2)C1 592842648 IXDHPQRHTQZBNO-AWEZNQCLSA-N 306.322 -0.044 30 20 DBED CNC[C@@H]1CCN(C(=O)C(=O)N2CCN(CCC#N)CC2)C1 601585886 ZHVQGPKJLBFCBW-ZDUSSCGKSA-N 307.398 -0.888 30 20 DBED CC(C)[C@@H](C#N)N1CCN(Cc2cc(=O)n(C)c(=O)n2C)CC1 609486935 UNBWRHGJXFWCCU-CQSZACIVSA-N 319.409 -0.250 30 20 DBED CS(=O)(=O)NCCNC(=O)Nc1ccn(CCC#N)n1 610325753 WCKJBPAEZPFYHZ-UHFFFAOYSA-N 300.344 -0.533 30 20 DBED C=C[C@@H](O)C(=O)N1CCC[C@H](CNS(=O)(=O)C2CC2)C1 614903535 SSNKSKZHLJMLLA-ZYHUDNBSSA-N 302.396 -0.146 30 20 DBED C=CCN1CCC(NC(=O)NCCCS(=O)(=O)NC)CC1 633471351 FRZLVUNEILSPSL-UHFFFAOYSA-N 318.443 -0.125 30 20 DBED C#CCOCCC(=O)OCC(=O)NC(=O)N[C@@H](C)COC 756304840 NVGTVTJCQZRAJG-JTQLQIEISA-N 300.311 -0.570 30 20 DBED C#CCNS(=O)(=O)N1CCN(CC[C@H]2CCCN2C)CC1 767590002 PSDVIQFUKMQZKJ-CQSZACIVSA-N 314.455 -0.444 30 20 DBED C#CCOCCNC(=O)C(=O)Nc1ccc(C(N)=O)c(F)c1 785161930 XUCCAORBWZCYFJ-UHFFFAOYSA-N 307.281 -0.371 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)CCCCNC(N)=O 785563779 RCDZMIWCEGFGMG-UHFFFAOYSA-N 300.315 -0.620 30 20 DBED COCCCS(=O)(=O)NCCOC(=O)c1c[nH]c(C#N)c1 786898344 AFNGDORDXYACFD-UHFFFAOYSA-N 315.351 -0.001 30 20 DBED C#C[C@@H](NC(=O)NCCn1cc(C(=O)OC)nn1)[C@@H]1CCCO1 790833286 BYHMKUWMARLUES-PWSUYJOCSA-N 321.337 -0.455 30 20 DBED C=C[C@H](O)C(=O)OCC(=O)N1CCN(C(=O)c2ccco2)CC1 814548298 ABUYMYKWUBWKSU-NSHDSACASA-N 322.317 -0.346 30 20 DBED N#Cc1ncn(CC(=O)NCc2cccc(OCC(=O)O)c2)n1 833078349 HQUHJRJOZDNNCC-UHFFFAOYSA-N 315.289 -0.070 30 20 DBED C#CCNS(=O)(=O)N1CCN(Cc2ccc(C)cn2)CC1 839526151 CNMGMVFHISLDSE-UHFFFAOYSA-N 308.407 -0.025 30 20 DBED C=CCNC(=O)CNC(=O)NCCc1nnc(S)n1CC 854160421 JFNFPEIQZAIMKM-UHFFFAOYSA-N 312.399 -0.269 30 20 DBED C#CC[C@H](CO)NC(=O)[C@H]1CCCN(S(=O)(=O)CC)C1 854546367 CWVIDOAOXFMVCV-NWDGAFQWSA-N 302.396 -0.452 30 20 DBED C[C@H](OC(=O)CN1CC(=O)N(C)C1=O)C(=O)NC1(C#N)CCC1 860305479 IOZXZFVPOQWRBS-VIFPVBQESA-N 322.321 -0.625 30 20 DBED C#Cc1cccc(NC(=O)C(=O)N2C[C@@H](CO)[C@H](CO)C2)c1 861982856 DVTNWPJHOFLBFT-STQMWFEESA-N 302.330 -0.334 30 20 DBED N#Cc1ccc(OC[C@@H](O)CN2C[C@@H](CO)[C@@H](CO)C2)cc1 879692786 DCNQWXVZQMVQMJ-ZNMIVQPWSA-N 306.362 -0.169 30 20 DBED C#CCN1CCC[C@H](NS(=O)(=O)N2CCCOCC2)C1 885508918 NPBPTDMFYORVEY-ZDUSSCGKSA-N 301.412 -0.359 30 20 DBED C=C(Br)CNC(=O)N1CCC(O)(C(N)=O)CC1 914418474 LRRRFQOMABMSEO-UHFFFAOYSA-N 306.160 -0.083 30 20 DBED CS(=O)(=O)N1CCN(CC(=O)N2CCC[C@@H](C#N)C2)CC1 928220250 GLCCUNLUXYINBQ-LBPRGKRZSA-N 314.411 -0.674 30 20 DBED C#CCN1CC[C@@H](NC(=O)CN2CCN(C)C(=O)C2)[C@@H](C)C1 942200236 KQSBFYJUBXZOQK-UONOGXRCSA-N 306.410 -0.780 30 20 DBED C[C@H]1C[C@@H](NC(=O)c2nccnc2C(N)=O)CCN1CC#N 948016288 NVSZGDHKAAAEIZ-UWVGGRQHSA-N 302.338 -0.318 30 20 DBED C=CCN1CCN(C(=O)Cn2ncn3nccc3c2=O)CC1 951165349 DWZXAIABJMLSJT-UHFFFAOYSA-N 302.338 -0.779 30 20 DBED NC(=O)C(=O)N1CCC([C@H]2CCN(C(=O)C#CC3CC3)C2)CC1 952305619 UUZWOGDPFHDRJC-AWEZNQCLSA-N 317.389 -0.028 30 20 DBED CN(C(=O)c1cn(C)nn1)C1CN(C(=O)c2ccc(C#N)[nH]2)C1 954210985 KASREQWTGLQMTN-UHFFFAOYSA-N 313.321 -0.389 30 20 DBED CN(C(=O)C(N)=O)C1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 954342367 KYVZBVSYQDZRCL-UHFFFAOYSA-N 303.322 -0.565 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H]1CNC(=O)c1cn(C)c(=O)n1C 956193024 RKPRGFJYJWGAHX-QWRGUYRKSA-N 319.365 -0.396 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2cnc3[nH]c(C)nc3c2)C1 958122136 QMNDHRBDIQXZCD-TZMCWYRMSA-N 313.361 -0.078 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2ccc3c(c2)nnn3C)C1 958182488 BDYBHFFXDJBIFL-SWLSCSKDSA-N 313.361 -0.376 30 20 DBED N#CCN1C[C@H](CNC(=O)c2ccc3nonc3c2)[C@@H](O)C1 958361232 TUHOREDYISHHEH-GWCFXTLKSA-N 301.306 -0.231 30 20 DBED C[C@@H](NC(=O)c1cc(C#N)c[nH]1)[C@H]1CCN(C(=O)CC(N)=O)C1 959097021 SXIWBNBIXQZBOC-KOLCDFICSA-N 317.349 -0.271 30 20 DBED C#Cc1cncc(C(=O)NC2[C@@H]3CN([C@@H](C)C(=O)NC)C[C@@H]23)c1 961723864 UAYZSWKQIFEAGE-ZLKJLUDKSA-N 312.373 -0.143 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CCCN(C(=O)Cn3nccn3)[C@@H]2C1 963753147 BHOLQFUYZBEYRR-FRRDWIJNSA-N 316.365 -0.113 30 20 DBED Cc1n[nH]cc1C(=O)N[C@@H]1COC2(C1)CN(C(=O)[C@H](C)C#N)C2 965772519 UHZCQDYCNYVXNR-KOLCDFICSA-N 317.349 -0.023 30 20 DBED CC#CCN1CC[C@@H](C)[C@@H](NC(=O)CN2CCN(C)C(=O)C2)C1 967011860 YZUPZEHXJIGMEC-CABCVRRESA-N 320.437 -0.390 30 20 DBED C#CCN1CCCCC[C@H]1CNC(=O)[C@H]1CCS(=O)(=O)N1 969150817 MNEMQGZHCITSSZ-QWHCGFSZSA-N 313.423 -0.328 30 20 DBED Cn1nnc(C(=O)N2CC[C@@H]3CN(C(=O)C#CC4CC4)[C@@H]3C2)n1 972072649 CEYFBZNBVDRKQJ-VXGBXAGGSA-N 314.349 -0.704 30 20 DBED C=C(C)CCN1CCO[C@]2(CCN(C(=O)Cn3cnnn3)C2)C1 972249216 NOATZJGZCSEHSQ-OAHLLOKOSA-N 320.397 -0.057 30 20 DBED C#CCCN1CCO[C@]2(CCN(C(=O)[C@@H]3CC(=O)N(C)C3)C2)C1 972410356 VKAZAVGDUCFTJB-RHSMWYFYSA-N 319.405 -0.209 30 20 DBED C=C(Cl)CN(C)[C@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 972442267 WVRJZQROXFFSPD-UWVGGRQHSA-N 314.773 -0.130 30 20 DBED CC#CCN1CCCC2(C1)CN(C(=O)C[C@@H]1CC(=O)NC1=O)C2 982176811 QYRJFRBTTWFYOX-ZDUSSCGKSA-N 317.389 -0.013 30 20 DBED CC#CCN1CCCN(C(=O)CN2C(=O)NC(C)(C)C2=O)CC1 989607215 FKZZFGSAHVRLLH-UHFFFAOYSA-N 320.393 -0.126 30 20 DBED CN1CC[C@H](C(=O)NC2CN(C(=O)c3ccc(C#N)[nH]3)C2)C1 991707696 CLMFVHQOJPEPFN-JTQLQIEISA-N 301.350 -0.221 30 20 DBED CC(=O)N1CCO[C@H](C(=O)N[C@]23CCC[C@H]2N(CC#N)CC3)C1 992463891 HIJDXOLJXGNRMC-LZWOXQAQSA-N 320.393 -0.130 30 20 DBED C=CCN1CCC[C@H](NC(=O)CN2CCN(C)C(=O)C2)[C@H]1C 993524300 SPTAEJNIGOUVJZ-KGLIPLIRSA-N 308.426 -0.085 30 20 DBED CCC(=O)N1CCN(C(=O)[C@H](C)C#N)[C@@H]2CS(=O)(=O)C[C@@H]21 995448765 BWUGVGNWVORLEB-OUAUKWLOSA-N 313.379 -0.608 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)C(C)(C)N2CCOCC2)C1 995799273 GCBLHMJHGXMWMN-NSHDSACASA-N 308.382 -0.416 30 20 DBED C#Cc1ccc(C(=O)N2CC(NC(=O)[C@H]3CNC(=O)N3)C2)cc1 998680894 RANUAIUGDHKMSS-CYBMUJFWSA-N 312.329 -0.710 30 20 DBED C=CCn1cc(C(=O)N(C)C2CC(N[C@H]3CCNC3=O)C2)nn1 999523026 NAGYYELGEQFPHR-MCIGGMRASA-N 318.381 -0.455 30 20 DBED C=CCN1CC[C@@H](n2cc(CNC(=O)[C@H]3C[C@H]3C(N)=O)nn2)C1 1000025158 OUZVQRWMQRZAJU-UPJWGTAASA-N 318.381 -0.552 30 20 DBED Cn1cnc(C(=O)NCC2CN(C(=O)c3cc(C#N)c[nH]3)C2)n1 1001718020 YRCIMTXGJSJMTL-UHFFFAOYSA-N 313.321 -0.483 30 20 DBED C=CCCN1CCC[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 1008726882 KXHFKUYWCNSYLW-LBPRGKRZSA-N 320.393 -0.146 30 20 DBED Cn1nnc(CN2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)n1 1010671992 UOZQLRJMUZZKDT-JTQLQIEISA-N 300.326 -0.586 30 20 DBED Cc1nc(O)nc(O)c1CC(=O)N1[C@H]2CC[C@H]1CN(CC#N)C2 1018095360 KHHRLEMRGLYVLX-QWRGUYRKSA-N 317.349 -0.063 30 20 DBED Cn1[nH]c(CN[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)nc1=O 1018681786 HUZJHCXEMXURFB-JTQLQIEISA-N 315.337 -0.688 30 20 DBED C#CCN1[C@H]2CC[C@H]1CC(NC(=O)c1nccnc1C(N)=O)C2 1021454630 PQKDUMDQXGQGFL-RYUDHWBXSA-N 313.361 -0.066 30 20 DBED CN(Cc1nnnn1C)C[C@H]1CCN(C(=O)C#CC2CC2)C1 1029733004 DXZSVKCRLITBSZ-CYBMUJFWSA-N 302.382 -0.096 30 20 DBED C=CCN1CC[C@@H](N2CC(CNC(=O)c3cn(C)cn3)C2)C1=O 1031615486 OHRRMSNHAXHDPV-CQSZACIVSA-N 317.393 -0.131 30 20 DBED C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)CN1CCCS1(=O)=O 1032434691 SGIQIPXAFLVIFK-STQMWFEESA-N 313.423 -0.117 30 20 DBED C#CCN1C[C@@H]2C[C@H]1CN2C(=O)C1(n2cnnn2)CCOCC1 1032678543 WXWLGAXOGOJOON-STQMWFEESA-N 316.365 -0.903 30 20 DBED COCCN1C[C@H](C(=O)N(C)[C@@H]2CCN(CC#N)C2)CC1=O 1033130359 XDGUPBNXGRLIFG-CHWSQXEVSA-N 308.382 -0.462 30 20 DBED CN1C(=O)CN(CC(=O)N[C@@H]2CCCCN(CC#N)C2)C1=O 1034490272 HZGCQPDDXMYAKT-LLVKDONJSA-N 307.354 -0.625 30 20 DBED C#CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)Cn1nc2ccccn2c1=O 1037524915 CIPIURJJCFSICT-TYNCELHUSA-N 311.345 -0.682 30 20 DBED CC#CCN1CC[C@H]1CNC(=O)c1cc(=O)n2[nH]cnc2n1 1038919526 DBULCZHUMQMQAR-JTQLQIEISA-N 300.322 -0.755 30 20 DBED COC[C@@H](C)C(=O)N1CC[C@](O)(CNC(=O)C#CC2CC2)C1 1039678498 XSKUNAPRNTWVRJ-WBMJQRKESA-N 308.378 -0.238 30 20 DBED Cc1cc(C#N)nc(N2C[C@@H](NC(=O)C(N)=O)CC[C@H]2C)n1 1039801895 PHCKHUQFPXKSDB-ZJUUUORDSA-N 302.338 -0.385 30 20 DBED Cn1nncc1C(=O)N1CC[C@H]2CN(c3nccnc3C#N)C[C@H]21 1040604535 XOMDQGHUCOVMLX-GXFFZTMASA-N 324.348 -0.172 30 20 DBED Cc1nocc1C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1O 1041316604 VKWUBEXCASVHMT-VXGBXAGGSA-N 314.305 -0.376 30 20 DBED C=CCCOCC(=O)N1CC(O)(CNC(=O)COC(C)C)C1 1041850217 RBULXHRSIHMZRA-UHFFFAOYSA-N 314.382 -0.306 30 20 DBED C#CCNC(=O)CC(=O)N1CC(O)(CNC(=O)/C=C(/C)CC)C1 1042920145 QCHOTSLPXQPSFO-GHXNOFRVSA-N 321.377 -0.828 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)CCc2nc[nH]n2)C1 1042936911 ULQBVBSKGMRLBS-UHFFFAOYSA-N 319.365 -0.914 30 20 DBED CC[C@@H](NC(C)=O)C(=O)N1CC(O)(CNC(=O)C#CC(C)C)C1 1042941219 LHVNEZKJHJIGAH-CYBMUJFWSA-N 323.393 -0.750 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)C2=COCCC2)C1 1043040611 VAWMGIFXJCMBER-GFCCVEGCSA-N 322.361 -0.592 30 20 DBED C=CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)[C@@H](CC)OC)C1 1043570371 HHNSVGUNRZKCDP-VXGBXAGGSA-N 314.382 -0.308 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)c3ccccn3)C2)nn1 1043822143 AFFQAXUADUOKRH-OLZOCXBDSA-N 310.317 -0.277 30 20 DBED Cn1nccc1C(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@@H]1O 1043863594 ARTBADMKIZNACW-RISCZKNCSA-N 312.333 -0.334 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)CCCCN(C)C)C1 1045546830 RRTKTQOMEZSEDV-LBPRGKRZSA-N 310.398 -0.433 30 20 DBED CCCn1nccc1C(=O)N1CC(O)(CNC(=O)[C@@H](C)C#N)C1 1045550844 ACMIIHNJWQSEQG-NSHDSACASA-N 319.365 -0.244 30 20 DBED C#CCN1CC[C@@H](N2CCN(C(=O)Cn3nccn3)CC2)C1 1046034521 SYOYTRVVSIUYGS-CQSZACIVSA-N 302.382 -0.870 30 20 DBED Cn1ccc(C(=O)N2CCN([C@H]3CCN(CC#N)C3)CC2)n1 1046084078 IVVSIHSBOLJRLF-ZDUSSCGKSA-N 302.382 -0.224 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCn3nccc32)C1 1047433108 XMHXLFVUEAQQLZ-SNPRPXQTSA-N 302.378 -0.103 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2ccc[nH]2)C1 1048225448 CZIQVMPJQSQHLF-UBHSHLNASA-N 319.361 -0.303 30 20 DBED C=C(C)CN1CCOC[C@H]1CNC(=O)[C@H]1CCCS1(=O)=O 1051253848 CAGUXWSMFYVTDU-CHWSQXEVSA-N 316.423 -0.043 30 20 DBED N#Cc1cncc(N2CC[C@H](NC(=O)c3cn[nH]c3)[C@H](O)C2)n1 1051626271 LZYANOBCDXHSOB-NWDGAFQWSA-N 313.321 -0.559 30 20 DBED N#Cc1ccc(N2CC[C@H](NC(=O)c3cn[nH]c3)[C@@H](O)C2)nn1 1051626772 SZNXJUCKGRAMJQ-RYUDHWBXSA-N 313.321 -0.559 30 20 DBED C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1CNC(=O)C(N)=O 1052312737 DUVVTHDCCPDJRC-SCZZXKLOSA-N 303.322 -0.804 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2cnn(C)n2)C[C@@H]1C 1052971490 BPPZTAOVXNIOJH-RYUDHWBXSA-N 321.381 -0.158 30 20 DBED C=C(C)CN1CC2(C1)CN(C(=O)C1CS(=O)(=O)C1)CCO2 1053271443 ZXITZLUBWWRJOO-UHFFFAOYSA-N 314.407 -0.480 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)C[C@@H]3COC(=O)C3)CO2)C1 1053778034 VADOCMWMFHYFRK-QWHCGFSZSA-N 306.362 -0.078 30 20 DBED N#Cc1cnccc1N1C[C@H]2C(NC(=O)[C@H]3CNC(=O)N3)[C@@H]2C1 1056392802 PNFMGMNTWUFXGT-GMTAPVOTSA-N 312.333 -0.815 30 20 DBED N#Cc1nccnc1N[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 1056764099 INEMLOPURMBTDR-SCZZXKLOSA-N 301.310 -0.958 30 20 DBED CN(c1ccc(C#N)nc1)[C@@H]1CCN(C(=O)Cn2ncnn2)C1 1056967810 KUNOYANKPVZTCV-CYBMUJFWSA-N 312.337 -0.323 30 20 DBED N#Cc1cncc(NC2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)n1 1057426826 INCDEMSILHEGKN-NEPJUHHUSA-N 314.349 -0.127 30 20 DBED CO[C@@H](C(=O)N(CCO)CCNC(=O)C#CC1CC1)C1CC1 1057465352 GGKGGNDOJNGRPF-OAHLLOKOSA-N 308.378 -0.238 30 20 DBED CCc1oncc1C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N 1057615743 UACQLVZCNQAADB-JTQLQIEISA-N 308.338 -0.053 30 20 DBED N#Cc1cncc(N2CCC(NC(=O)[C@H]3COC(=O)N3)CC2)n1 1057864767 HXGDYAVIZHRNIM-LLVKDONJSA-N 316.321 -0.458 30 20 DBED N#Cc1nccc(N2CC[C@H](NC(=O)[C@H]3COC(=O)N3)C2)n1 1058350116 DAVLMLMEXPYDPW-DTWKUNHWSA-N 302.294 -0.848 30 20 DBED C[C@@H]1OCCO[C@@H]1C(=O)N[C@H]1CCN(c2ccc(C#N)nn2)C1 1058590567 HSGBZUWTOFFVGC-JKOKRWQUSA-N 317.349 -0.153 30 20 DBED N#Cc1cncc(NC[C@H]2CCN(C(=O)Cn3ncnn3)C2)n1 1060928329 WCIKOSZWINTETR-SNVBAGLBSA-N 313.325 -0.705 30 20 DBED N#Cc1cnc(NC[C@@H]2CCN(C(=O)[C@H]3CCNC3=O)C2)cn1 1060954337 FJKLSMGHQWYZCZ-JQWIXIFHSA-N 314.349 -0.255 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCOC[C@H]1CNC(=O)c1cn[nH]c1 1061332256 UXTFVVDNQAGPGX-IUODEOHRSA-N 322.365 -0.306 30 20 DBED C#CCO[C@H](C)C(=O)N1CCOC[C@H]1CNC(=O)c1ccon1 1061350097 MUBWFOBMYNSDDD-VXGBXAGGSA-N 321.333 -0.330 30 20 DBED Cn1nnc(C(=O)NC[C@@H]2CCCN2c2ccc(C#N)nc2)n1 1061429062 UIQXTMGIZNGURP-NSHDSACASA-N 312.337 -0.124 30 20 DBED C=CCOCC(=O)N1CCOC[C@@H]1CNC(=O)Cc1ccon1 1061451995 QMAALDOPATZHOD-ZDUSSCGKSA-N 323.349 -0.237 30 20 DBED C=CCCOCC(=O)NC[C@H]1COCCN1C(=O)COC 1061666724 QKKHQVRELXNLJK-LBPRGKRZSA-N 300.355 -0.431 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)c1ccc(O)nc1 1061852885 NTNUMQJIVIBISZ-JQWIXIFHSA-N 318.333 -0.096 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CN(C(=O)c2ccc(O)nn2)CCO1 1064812124 LQUMTBBMSDCXGM-ZJUUUORDSA-N 319.321 -0.701 30 20 DBED Cn1nnc(C(=O)N2CCC[C@H]2CNc2ccc(C#N)nn2)n1 1064989566 IPCQFSPDMMQEPG-JTQLQIEISA-N 313.325 -0.412 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCO[C@@H](CNC(=O)COCC=C)C1 1065152327 JTBMAMCQZHXCRP-KBPBESRZSA-N 324.377 -0.429 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCO[C@H](CNC(=O)CSC)C1 1065153300 UCPUJKYFDYEUNC-NWDGAFQWSA-N 314.407 -0.269 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(C(=O)c2cnon2)CCO1 1065507794 SZFCFFMALFIPOC-LLVKDONJSA-N 304.306 -0.560 30 20 DBED CC(C)C#CC(=O)N(C)CCCN(C)C(=O)Cn1cnnc1O 1067243470 MRRSDJYIMZHYHZ-UHFFFAOYSA-N 321.381 -0.050 30 20 DBED C[C@H](Nc1ccc(C#N)nc1)[C@H]1CN(C(=O)C(N)=O)CCO1 1068244536 XVLVFOQHFLQLOA-JOYOIKCWSA-N 303.322 -0.534 30 20 DBED C[C@@H]1[C@@H](N=c2cc[nH]c(C#N)n2)CCN1C(=O)Cn1cncn1 1068847135 WXHWQYMFCDVZAW-MNOVXSKESA-N 312.337 -0.537 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1COC2(C1)CN(C(=O)c1ncc[nH]1)C2 1069002329 DOMFQKICWXFYHG-VHSXEESVSA-N 303.322 -0.331 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1COC2(C1)CN(C(=O)Cn1cccn1)C2 1069002895 IPILPSIVPROHHY-RYUDHWBXSA-N 317.349 -0.471 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1Cc2ccccc2CN1C(=O)C(N)=O 1069686237 HFFLASPPYYMDMD-GWCFXTLKSA-N 314.345 -0.299 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@]2(C)CCOC2)C1 1070064341 MJQNCKKODNGSFT-IPYPFGDCSA-N 303.366 -0.321 30 20 DBED N#CCN[C@@H]1CN(C(=O)Cc2ncc[nH]2)C[C@@H]1n1ccnn1 1070303476 YJMQAEHJKZJSFK-MNOVXSKESA-N 300.326 -0.891 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC[C@@H](NC(=O)CNC(C)=O)C1 1070726578 CXDKJUSFVWETNV-WCQYABFASA-N 309.366 -0.732 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)c2[nH]cnc2CC)CC1 1071018449 STOGYGVVAQMMDA-UHFFFAOYSA-N 317.393 -0.131 30 20 DBED C=CCOCC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CCC(=O)N2C)C1 1071112564 BATSRPGUASCBQE-OLZOCXBDSA-N 323.393 -0.083 30 20 DBED C=CCOCC(=O)N1C[C@@H](NC(=O)c2cnn(C)n2)[C@H](C)C1 1071808682 KHWXRIWZFAZCQO-ZYHUDNBSSA-N 307.354 -0.406 30 20 DBED C#CCCCC(=O)NCC1(O)CCN(C(=O)CC(N)=O)CC1 1074525148 LERXXHHTBAHMHU-UHFFFAOYSA-N 309.366 -0.865 30 20 DBED C=CCOCC(=O)N[C@@H](C)CCNC(=O)CCn1cncn1 1075637862 BCGYNXMKXWFFMZ-LBPRGKRZSA-N 309.370 -0.118 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H](C)CCNC(=O)c1cn(C)nn1 1076365220 NVSCJJBFMGZRMV-IINYFYTJSA-N 309.370 -0.233 30 20 DBED C#CCO[C@@H](C)C(=O)NCC[C@H](C)NC(=O)CCc1cnn[nH]1 1076510057 BIVXHRQXYCGFRE-RYUDHWBXSA-N 321.381 -0.213 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2cn(CCOC)nc2C)C1 1076990500 FDOBFAMLWYRGOA-ZIAGYGMSSA-N 306.366 -0.754 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3nncn3CC2)C1 1077411215 WIHKAWSWIWDNMP-MGPQQGTHSA-N 319.409 -0.032 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2c[nH]nc2[C@@H]2CCCO2)C1 1077560752 FKFFLYYQKFDNQC-UPJWGTAASA-N 304.350 -0.331 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2ccc3nc(O)[nH]c3n2)C1 1077576668 XRBKOIKMDXKLLA-GHMZBOCLSA-N 301.306 -0.928 30 20 DBED C#Cc1ccc(C(=O)NCC[C@H](C)NC(=O)CNC(C)=O)cn1 1077632611 XBVTWJLJAXSRTP-NSHDSACASA-N 316.361 -0.176 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CO)(NC(=O)[C@H]2CCCO2)CC1 1080705765 SSTWOCKGWJWCLH-VXGBXAGGSA-N 309.366 -0.205 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cnccn2)C1 1081205640 UAKGGVJKSXWKEA-YPMHNXCESA-N 320.349 -0.772 30 20 DBED CC(F)(F)C(=O)N1C[C@H](O)[C@H](CNC(=O)CSCC#N)C1 1081286239 JDOVTBJHTNMCKO-BDAKNGLRSA-N 321.349 -0.166 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)c2nonc2C)C[C@H]1O 1081333348 RVBGRXDBXNTTGM-WDEREUQCSA-N 308.338 -0.107 30 20 DBED Cc1cc(C(=O)N2C[C@@H](O)[C@H](CNC(=O)C#CC3CC3)C2)on1 1081468033 FFFAXZBZLQYQLR-CHWSQXEVSA-N 317.345 -0.054 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)CC(=O)N(C)C)C[C@@H]1O 1081468864 PQBDDQGCHXEDTO-STQMWFEESA-N 323.393 -0.940 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CN(C)CCO1 1083035295 LEMDQSPOOSKMND-RRFJBIMHSA-N 307.394 -0.748 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1ccc(C(N)=O)o1 1083137739 OKLWKWQHNLUFAZ-SMDDNHRTSA-N 317.345 -0.073 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](NC(=O)c2ccc3nnnn3c2)C1 1083639555 VQLOPAGLIJPKGE-OLZOCXBDSA-N 316.365 -0.135 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2ccnn2C)C1 1083662460 RKAMHQGXZJCZEZ-BHPKHCPMSA-N 302.378 -0.292 30 20 DBED CC(=O)N(C)c1ccccc1C(=O)N[C@@H]1CN(CC#N)C[C@@H]1O 1083684366 SFCOIPBTLFALHH-HIFRSBDPSA-N 316.361 -0.032 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)c2cnc3c(c2)ncn3C)C1 1083695370 WUGHXUQMDZSDRG-KGLIPLIRSA-N 313.361 -0.234 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCc3nnnn3CC2)C1 1083793477 TWOHXDOCUDDPAS-UPJWGTAASA-N 320.397 -0.637 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)C1 1083853276 LRUUNGVLZPUWGW-APIJFGDWSA-N 318.377 -0.917 30 20 DBED Cn1nnc(CN[C@H]2C[C@H](CNC(=O)c3ccc(C#N)[nH]3)C2)n1 1086343168 SAFQJBNHAPRYPK-HOMQSWHASA-N 314.353 -0.292 30 20 DBED Cn1cc([C@@H]2CN(C(=O)Cc3nc[nH]n3)C[C@H]2NCC#N)cn1 1087005258 TYVGGQJNDWWIMH-NWDGAFQWSA-N 314.353 -0.812 30 20 DBED C=CCN1CC[C@H](NC(=O)CN2CCCS2(=O)=O)[C@H]1C 1088606470 UTIMVHYPEMSYTP-NEPJUHHUSA-N 301.412 -0.213 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2cccc3nn[nH]c23)[C@@H](O)C1 1090288116 YQOAFMTYULBTTP-PWSUYJOCSA-N 300.322 -0.354 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2cccc(=O)n2C)[C@@H](O)C1 1090553789 RJAJGMVYKIRSBS-JSGCOSHPSA-N 303.362 -0.426 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2ccc(=O)n(CC)n2)[C@@H](O)C1 1090655070 OSFXNHJGGYBXLU-JSGCOSHPSA-N 318.377 -0.549 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2cccn(C)c2=O)[C@@H](O)C1 1090738457 ZBDUDNVWUUCHRG-KGLIPLIRSA-N 303.362 -0.426 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)c2c[nH]c(C(N)=O)c2)[C@H](O)C1 1090813334 OYHQWIBCWHDXOJ-WCQYABFASA-N 306.366 -0.145 30 20 DBED CC(=O)N[C@@H](C)C(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@@H]1O 1091064711 OUNAOMGUUSKWIA-FZZIBODNSA-N 317.349 -0.856 30 20 DBED CC(C)N(C)CC(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1091118045 YBZCEHHQQJEZEU-NEPJUHHUSA-N 318.381 -0.646 30 20 DBED CNC(=O)CC(=O)NC[C@H]1C[C@@H](Nc2ccc(C#N)nn2)C1 1091340562 UFQXYRWZENIBAE-JGZJWPJOSA-N 302.338 -0.209 30 20 DBED CN(C)CCC(=O)N[C@@H]1CCN(c2ccnc(C#N)n2)C[C@H]1O 1092173491 LJEPAKYEEWSNGL-VXGBXAGGSA-N 318.381 -0.644 30 20 DBED CC(=O)N[C@@H](C)C(=O)N1CCN(c2nc(C)cc(C#N)n2)CC1 1093130956 PRVYTCTXNNTZPG-NSHDSACASA-N 316.365 -0.170 30 20 DBED N#Cc1c[nH]ccc1=NCCNC(=O)C1CCS(=O)(=O)CC1 1093866224 XMSZYQJSOJSOIN-UHFFFAOYSA-N 322.390 -0.272 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)c3cscn3)CC2=O)C1 1094712693 ZASXKGWROCNRHM-SNVBAGLBSA-N 304.375 -0.209 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)c3ccc(F)cn3)CC2=O)C1 1094727057 JYECMFJRTZOSJM-LBPRGKRZSA-N 316.336 -0.131 30 20 DBED N#CCN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN1CCCNC1=O)C2 1094953267 CSASSQVGHRYJGH-AVGNSLFASA-N 305.382 -0.106 30 20 DBED N#Cc1nc(=N[C@@H](CNC(=O)C2=COCCO2)C2CC2)cc[nH]1 1096567376 JZNKESUUAUSYRX-NSHDSACASA-N 315.333 -0.035 30 20 DBED N#Cc1ccc(N[C@H](CNC(=O)Cn2ncnn2)C2CC2)nc1 1096731173 NRIFNKDROXHQBA-GFCCVEGCSA-N 312.337 -0.053 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](Nc2cnc(C#N)cn2)C1 1096937465 RVUGWPODUNXQRB-NSHDSACASA-N 312.333 -0.499 30 20 DBED N#Cc1ccc(NC[C@H]2CCCN(C(=O)CNC(N)=O)C2)nn1 1097351604 CYXTUNPVMLMHFC-SNVBAGLBSA-N 317.353 -0.333 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H]1CCc2nnc(O)n2C1 1097368266 PIBLBNPITLMBAS-LOWDOPEQSA-N 315.377 -0.099 30 20 DBED C[C@@H](CCNC(=O)[C@@H]1CNC(=O)N1)N=c1cc[nH]cc1C#N 1099683033 UBRSZTUVPZRNON-CABZTGNLSA-N 302.338 -0.637 30 20 DBED C#CCN1CC[C@@H](NC(=O)CCc2c(C)ncnc2O)[C@H](O)C1 1099904224 RWYNLOLMWAHNLD-ZIAGYGMSSA-N 318.377 -0.392 30 20 DBED Cc1cnc(COCC(=O)N[C@H]2CCN(CC#N)C[C@@H]2O)o1 1099914283 SQUDFAUFRMLVPH-RYUDHWBXSA-N 308.338 -0.425 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2c(C)cnn2C)[C@H](O)C1 1099946933 NPWZJMQIHFRHAN-UONOGXRCSA-N 320.393 -0.457 30 20 DBED CCN(CCNC(=O)[C@@H]1COCCN1C)c1cncc(C#N)n1 1100491679 OBWWAXWVRDIPJV-ZDUSSCGKSA-N 318.381 -0.379 30 20 DBED CCN(CCNC(=O)CCn1cnnn1)c1ccc(C#N)cn1 1100600259 JESVMBJODQIDBO-UHFFFAOYSA-N 314.353 -0.027 30 20 DBED CCN(CCNC(=O)[C@H]1CNC(=O)N1)c1ccc(C#N)c(C)n1 1100698867 PESPKRXJWDSYKM-GFCCVEGCSA-N 316.365 -0.114 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)c2ccncn2)C1 1100767739 BGXROXLWCSCECG-UHFFFAOYSA-N 301.350 -0.676 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](C)CNC(=O)[C@H]2CCNC2=O)n1 1104157430 MWBFVKZIPHSLRG-CABZTGNLSA-N 316.365 -0.043 30 20 DBED CC(C)[C@@H](CNC(=O)[C@H](C)NC(N)=O)Nc1cnc(C#N)cn1 1105178121 PLBFJIRTAOVMLB-GXSJLCMTSA-N 319.369 -0.042 30 20 DBED CC(C)[C@H](CNC(=O)CCNC(N)=O)Nc1cnc(C#N)cn1 1105182593 NJYWEQJPBYVVNU-NSHDSACASA-N 319.369 -0.041 30 20 DBED C#CCNCc1cn(C2CN(C(=O)[C@@H](C)n3cncn3)C2)nn1 1105215917 KVKHALFARHEPEI-LLVKDONJSA-N 314.353 -0.763 30 20 DBED Cc1nsc(NC[C@@H](O)CNC(=O)[C@H]2CCC(=O)N2)c1C#N 1105750112 HJWQGYJTLALBGW-WCBMZHEXSA-N 323.378 -0.509 30 20 DBED CCc1cc(C(=O)NC[C@@H](O)CNc2cncc(C#N)n2)n[nH]1 1105778650 TZSQQKJIFATKKB-NSHDSACASA-N 315.337 -0.163 30 20 DBED C[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1CNCCN1CCNC1=O 1105945896 HYPSKVFFBBUOKE-JHJVBQTASA-N 307.398 -0.145 30 20 DBED CC#CCCCC(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1 1106062207 CXLAXCYSSFCGHX-GFCCVEGCSA-N 301.350 -0.147 30 20 DBED C[C@@H](CCNc1cncc(C#N)n1)NC(=O)[C@@H]1COCCN1C 1106277548 IPRLIXWKBGHKFE-AAEUAGOBSA-N 318.381 -0.014 30 20 DBED C[C@@H]1CN(C(=O)[C@H]2OCC[C@H]2C)C[C@H]1CNCC(=O)NCC#N 1106678704 ZYLQKPFKBFUNCN-BHPKHCPMSA-N 322.409 -0.265 30 20 DBED C#CCNC(=O)[C@H](C)N1CCO[C@](C)(CNC(=O)C(F)F)C1 1107673861 XAWGCNRWELLUJG-IINYFYTJSA-N 317.336 -0.404 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](C)NC(=O)[C@H](C)NC(N)=O)n1 1107691494 DRENNGWACKVZIK-BDAKNGLRSA-N 305.342 -0.370 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@]1(C)CN(Cc2nc(O)n[nH]2)CCO1 1107821098 JFQUOQXWBATPHG-ZANVPECISA-N 308.342 -0.623 30 20 DBED C#CCCN1CCO[C@](C)(CNC(=O)C[C@H]2CCNC2=O)C1 1107995328 YZKXPAFCOXTXGX-CZUORRHYSA-N 307.394 -0.257 30 20 DBED CC(C)N1CCO[C@H](C(=O)NC[C@]2(C)CN(CC#N)CCO2)C1 1108159133 SAMQFYNDSHRUOD-GOEBONIOSA-N 324.425 -0.174 30 20 DBED CN(CCCN=c1cc[nH]c(C#N)n1)C(=O)[C@H]1COCCN1C 1109410076 KDVWCIKBXJZJBI-GFCCVEGCSA-N 318.381 -0.639 30 20 DBED Cn1cnnc1COCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC#N 1109911858 LDAUFBLETJVXRX-WOPDTQHZSA-N 304.354 -0.423 30 20 DBED CS(=O)(=O)CC(=O)NCC1(Nc2nccnc2C#N)CC1 1110073845 QJVHAQUSXCSREW-UHFFFAOYSA-N 309.351 -0.546 30 20 DBED N#Cc1nccnc1NC1(CNC(=O)[C@@H]2CCNC(=O)C2)CC1 1110120641 OEJHPYQECMYSJS-SNVBAGLBSA-N 314.349 -0.065 30 20 DBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H]1COCCO1 1110306438 NWARPTVDUNLOIR-MQYQWHSLSA-N 323.393 -0.575 30 20 DBED CCc1nc(C#N)cc(N2CC[C@@](C)(NC(=O)C(N)=O)C2)n1 1110807927 QGZFKSZIUIXTJV-CQSZACIVSA-N 302.338 -0.519 30 20 DBED CC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCCS(N)(=O)=O 1110968046 RIYWOEOTFSQIOS-UPJWGTAASA-N 313.423 -0.200 30 20 DBED N#Cc1nccnc1N1CC[C@](O)(CNC(=O)[C@@H]2CCOC2)C1 1111044500 ZFBAYXDSKRCTNJ-ABAIWWIYSA-N 317.349 -0.558 30 20 DBED C[C@@H](N=c1cc[nH]c(C#N)n1)[C@H]1CCN(C(=O)CNC(N)=O)C1 1111206214 WMBGXRNVQPZXKG-ZJUUUORDSA-N 317.353 -0.913 30 20 DBED Cn1cc(C(=O)N(CCO)CCN=c2cc[nH]c(C#N)n2)cn1 1111417894 XWYIQTMXJUBPNY-UHFFFAOYSA-N 315.337 -0.950 30 20 DBED CCCCOCC(=O)N(CCO)CCN=c1cc[nH]c(C#N)n1 1111439934 PHKBTDDUOXGVTE-UHFFFAOYSA-N 321.381 -0.180 30 20 DBED N#Cc1cnccc1N1CCC(CO)(NC(=O)CC(N)=O)CC1 1112657054 OCNQYCZPFDPISR-UHFFFAOYSA-N 317.349 -0.724 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)c2ccnc(O)c2)CC1 1112765139 OLIHBDPIWPQRQQ-LBPRGKRZSA-N 316.361 -0.317 30 20 DBED CCc1nc[nH]c1C(=O)N1CCN(CC(=O)NCC#N)CC1 1113597730 IAELIBXVINXQFC-UHFFFAOYSA-N 304.354 -0.630 30 20 DBED C[C@@H](CNC(=O)C[C@H]1CCC(=O)N1)N(C)c1cnc(C#N)cn1 1113651631 FLZFDDFPOKOFOP-WDEREUQCSA-N 316.365 -0.042 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)c3ccnc(F)c3)[C@@H]2C1 1113979114 DXYWVJNQLUQDFT-VXGBXAGGSA-N 316.336 -0.370 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)CC3(OC)CCC3)[C@H]2C1 1114196798 MYORBHXNBROYFF-VIKVFOODSA-N 319.405 -0.259 30 20 DBED CCO[C@H](C(=O)NC1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]12)C(C)C 1114249824 JNVXAPKGTAXROK-JMSVASOKSA-N 322.409 -0.266 30 20 DBED C=C(Cl)CN1C[C@H]2C(NC(=O)CN(C)S(C)(=O)=O)[C@@H]2C1 1114361710 SCILQAWHQALEER-NXEZZACHSA-N 321.830 -0.323 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)C3(F)CCOCC3)[C@H]2C1 1114381317 SQKWVHLEQCPZIB-IMRBUKKESA-N 323.368 -0.699 30 20 DBED C#CCC1(C(=O)NC2[C@@H]3CN(Cc4nnn(C)n4)C[C@@H]23)CCC1 1114397222 JIKYYSBFTLKQRL-VXGBXAGGSA-N 314.393 -0.050 30 20 DBED C=C1CCC(C(=O)NC2[C@@H]3CN(CC(=O)NC(N)=O)C[C@@H]23)CC1 1114777170 ZGZXTXKZTGYFHA-VXGBXAGGSA-N 320.393 -0.026 30 20 DBED N#CCN1C[C@H]2C(NC(=O)CNC(=O)Cc3ccccc3)[C@@H]2C1 1115206758 CHDXOEUWAFHKFI-ZIAGYGMSSA-N 312.373 -0.085 30 20 DBED COCC#CCN1C[C@@H]2C(NC(=O)CNC(=O)C3CCC3)[C@H]2C1 1115295840 GMRCXJZLYIGMJQ-KBPBESRZSA-N 319.405 -0.401 30 20 DBED CCOC(=O)c1cnn(C)c1NC(=O)C(=O)N[C@H](C)CC#N 1116739604 QKSYAMSKAFOPRS-MRVPVSSYSA-N 307.310 -0.046 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCCCN2C2CC2)CCO1 1117611648 GMKFVYOWDHTISC-ZIAGYGMSSA-N 320.393 -0.130 30 20 DBED Cc1cnc(C(=O)NC[C@@H](CO)Nc2cnc(C#N)cn2)cn1 1121150275 IXCSADQIRKQRJW-NSHDSACASA-N 313.321 -0.351 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H](CO)CNC(=O)c1ncccc1O 1121339692 MKBWWDGYAIAOAN-LLVKDONJSA-N 313.317 -0.321 30 20 DBED Cc1cc(C#N)nc(N[C@@H](CO)CNC(=O)c2ncccn2)n1 1121906139 JRZKGTLOMYPFFA-LLVKDONJSA-N 313.321 -0.351 30 20 DBED C[C@@]1(C(=O)NC[C@@H](CO)N=c2cc[nH]c(C#N)n2)CCOC1 1121914603 PNJMHCYKHDIDFE-IINYFYTJSA-N 305.338 -0.914 30 20 DBED COC1CC(C(=O)NC[C@H](CO)Nc2nccnc2C#N)C1 1122177018 IBSHJMNAUSYHCA-HSOILSAZSA-N 305.338 -0.338 30 20 DBED C=CC(C)(C)C(=O)NC[C@@H](CO)N=c1cc[nH]c(C(=O)OC)n1 1122310003 HQHKLEACZNCREE-JTQLQIEISA-N 322.365 -0.214 30 20 DBED CCC(=O)N[C@@H](C)C(=O)NC[C@@H](CO)Nc1ccc(C#N)nn1 1122751974 CUVQHMOXPCVGGH-ONGXEEELSA-N 320.353 -0.848 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)c1ccon1 1124192005 VFLJMVUOAGJSTD-SECBINFHSA-N 309.326 -0.606 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)c1cn(C)cn1 1124246165 LJFYKLYSFXSVFU-JTQLQIEISA-N 315.337 -0.951 30 20 DBED CC(C)(C)C#CC(=O)NCCNCCN1CCCS1(=O)=O 1126893701 UJUVWVKCMZHADH-UHFFFAOYSA-N 315.439 -0.223 30 20 DBED C#CCOCCC(=O)NCCNC[C@H](O)CO[C@H](C)COC 1127032115 TXCAZYUFQYBOBS-KGLIPLIRSA-N 316.398 -0.856 30 20 DBED C#CCO[C@@H](C)C(=O)NCCNCC(=O)N(C)c1nccs1 1127051570 JFWBRXXPFDWYMX-NSHDSACASA-N 324.406 -0.150 30 20 DBED C=CCCN1CCn2ncc(CNC(=O)CCNC(N)=O)c2C1 1128571365 RECPLMZJFHKKSY-UHFFFAOYSA-N 320.397 -0.051 30 20 DBED C=CCNC(=O)CNCCNC(=O)Cn1ccc(C(F)F)n1 1129032313 DJHPQNGJFUALBK-UHFFFAOYSA-N 315.324 -0.171 30 20 DBED C#CCCN[C@@H]1CN(C(=O)C2=CCOCC2)C[C@@H]1n1ccnn1 1129761850 BBUVJNZYMBLKRG-CABCVRRESA-N 315.377 -0.010 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCNC[C@@H](O)Cn1cccn1 1129790600 CYLWJGWBMIVTBU-CABCVRRESA-N 319.409 -0.953 30 20 DBED COC[C@H](OC)C(=O)N1C[C@@H](NCC#N)[C@H](c2cncn2C)C1 1131064416 JTMRFCCIOLYQPL-BZPMIXESSA-N 321.381 -0.511 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)c2ccc(C(N)=O)o2)C1=O 1131101700 QRKRRUASMYNFFA-JTQLQIEISA-N 320.349 -0.515 30 20 DBED CC(=O)NCc1nc([C@H]2C[C@H](F)CN2CC(=O)NCC#N)n[nH]1 1131138427 BFYKNFFIFCBDKP-VHSXEESVSA-N 323.332 -0.835 30 20 DBED C#CCNC(=O)CN1C[C@H]2C[C@H]3CN(C(=O)CCC)C[C@@]3(C1)O2 1131168195 VZFPSEOFYPQDOB-JJRVBVJISA-N 319.405 -0.162 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@H]2C[C@@H]3CN(CC#C)C[C@]2(C1)O3 1131231392 ZLXJILTUQLQJQI-KLZNWCGWSA-N 302.374 -0.040 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2ccncn2)CC[C@H]1C 1132372321 PXIVUUBXDZOFLH-OLZOCXBDSA-N 315.377 -0.191 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)C[C@H](C)NCc1nnc(C)o1 1134131208 SAZLDPCKFWNFGD-QWRGUYRKSA-N 321.381 -0.110 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NCCNCCn1cncn1 1134817206 QHDPYMVWNFLJQH-ZDUSSCGKSA-N 308.386 -0.545 30 20 DBED C=CCN[C@@H](C)C[C@H](C)NC(=O)CN1CCS(=O)(=O)CC1 1146313302 FYLICTWZANDBSL-STQMWFEESA-N 317.455 -0.224 30 20 DBED COCC#CCN1CCC2(C1)CN(C(=O)C[C@H]1CCC(=O)N1)C2 1148425042 XLJLPZUSQQUBRZ-CQSZACIVSA-N 319.405 -0.161 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)[C@@H]1CCC(=O)N1 1148427929 VKPSCHDUVJWSFK-LBPRGKRZSA-N 308.382 -0.829 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)[C@H](C)CCOC)C2 1148791103 IROGAYLUFXTFDH-CQSZACIVSA-N 321.421 -0.057 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(CC(=O)N(C)C)CCCO1 1149672399 BNGOXNIMBWZFJG-CQSZACIVSA-N 309.410 -0.059 30 20 DBED N#CCN1CCCO[C@H](CNC(=O)CN2CCCNC2=O)C1 1149947451 ZCFSXTVXTZRPTL-GFCCVEGCSA-N 309.370 -0.868 30 20 DBED CC(C)(C)C(=O)NC[C@H]1CN(CC(=O)NCC#N)CCCO1 1150624578 BYVRNNTWSNONQM-LBPRGKRZSA-N 310.398 -0.121 30 20 DBED C#CCN1CCC(C(=O)NCCNCc2nnc(C)o2)CC1 1152335085 ZMKPLBMERXWOIW-UHFFFAOYSA-N 305.382 -0.071 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@H](C(C)C)N1CCCC1 1152474061 ZDWXNXPHUMYQIL-GJZGRUSLSA-N 322.453 -0.050 30 20 DBED C=CCO[C@@H](C)C(=O)NCCN[C@@H](C)C(=O)NC(=O)NC 1153161692 ZXXXISKTZOAEIP-UWVGGRQHSA-N 300.359 -0.873 30 20 DBED CNS(=O)(=O)CCC(=O)N[C@H](C)CCCCNCC#N 1170762466 RLVQMMSLWHGNSK-LLVKDONJSA-N 304.416 -0.286 30 20 DBED C=CCNC(=O)CNC[C@]1(C)CN(C(=O)CC(=O)NC)C[C@H]1C 1181239790 HDNNBPZQHHJAFJ-MLGOLLRUSA-N 324.425 -0.501 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)CCCC(=O)NC)C1 1182121900 QIGJBYAMMKRAKR-QWHCGFSZSA-N 324.425 -0.216 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H](OC)C2CCC2)C1 1184652779 AKSGLRXPJKJYLG-UKRRQHHQSA-N 307.394 -0.259 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)[C@@H]2CCCC(=O)N2C)C1 1187490750 DNGKGNFSNFEDQK-KGLIPLIRSA-N 307.394 -0.162 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CN(CC(=O)N(C)C)C[C@H]21 1187882841 XLNABEVRWKKSNC-MELADBBJSA-N 307.394 -0.354 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CN(Cc2nnn(C(C)(C)C)n2)C[C@H]1O 1191873300 SZRAGMCAEHJURO-GMTAPVOTSA-N 321.385 -0.751 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CN(Cc2nc(C3CC3)nn2C)C[C@H]1O 1191873363 VCWCMKMDRPSVHX-YUSALJHKSA-N 318.381 -0.487 30 20 DBED CCn1ncc(CN2C[C@@H](O)[C@H](NC(=O)C#CC(C)C)C2)n1 1192752163 UGSHNXVBFXOPKK-ZIAGYGMSSA-N 305.382 -0.381 30 20 DBED C#CCCCCCC(=O)N[C@@H]1CN(CC(=O)N2CCC2)C[C@H]1O 1195333313 FHYGHTZNWJFKRB-HUUCEWRRSA-N 321.421 -0.036 30 20 DBED C=C/C(C)=C\CC(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1O 1195401550 YMGGRARYJDADKJ-ZYFYVMIWSA-N 306.366 -0.690 30 20 DBED C=CC[C@@H](C(=O)N[C@@H]1CN(CC(N)=O)C[C@H]1O)c1ccccc1 1198896272 ANUYLURHBZMLCH-RBSFLKMASA-N 317.389 -0.007 30 20 DBED CC#CCNC[C@H]1CN(C(=O)c2nccnc2N)CCCO1 1200145557 UOCKBPMQSDVJLV-LBPRGKRZSA-N 303.366 -0.097 30 20 DBED CC#CCNC[C@H]1CN(C(=O)c2cc(=O)n(C)cn2)CCCO1 1200730251 SNUXTOHTVGHBCX-ZDUSSCGKSA-N 318.377 -0.376 30 20 DBED C#CCNC[C@H]1CN(C(=O)CCS(C)(=O)=O)CCCO1 1200825185 YCLKEYAISLXFOI-LBPRGKRZSA-N 302.396 -0.739 30 20 DBED C=C(Cl)CNC[C@H]1CN(C(=O)c2nnn(C)n2)CCCO1 1201185743 DFBSQJLLGFHSOV-JTQLQIEISA-N 314.777 -0.217 30 20 DBED CCn1nc(C)c(C(=O)N2CCCO[C@@H](CNCC#N)C2)n1 1202237096 XHDUWNYAZMGGLS-LBPRGKRZSA-N 306.370 -0.049 30 20 DBED C=C(C)CN(CC)C(=O)CNCC1CCN(C(=O)C(N)=O)CC1 1206094006 QSYXIVVDDWBVGV-UHFFFAOYSA-N 324.425 -0.276 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2cnn(CC)c2)[C@H](C)C1 1206646964 OIFCSPWNIDJGIA-TZMCWYRMSA-N 317.393 -0.298 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)[C@@]2(F)CCOC2)[C@H](C)C1 1208405190 NFJNINBLIZZFEN-LALPHHSUSA-N 311.357 -0.699 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2ccnc(C)n2)[C@H](C)C1 1211066425 KHIIZWKIGMEKAZ-BXUZGUMPSA-N 315.377 -0.415 30 20 DBED CC[C@@H](C)CC(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1OC 1212182137 AHBBRZXJCIKSPZ-JHJVBQTASA-N 310.398 -0.122 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C 1214855369 CTWYZLVCQGFXFM-XNRPHZJLSA-N 320.437 -0.488 30 20 DBED CC#CCN[C@@H]1CN(C(=O)[C@H]2COCCN2C(C)=O)C[C@H]1C 1216795580 RKINYQOGNIXDMZ-BPLDGKMQSA-N 307.394 -0.307 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)c2csnc2C)C1 1219474447 QZZSYZFDZHZVDQ-OLZOCXBDSA-N 309.391 -0.124 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(Cc2cnnn2CC)C[C@@H]1O 1219526868 DOWJFEDXKPQXAB-VNHYZAJKSA-N 323.397 -0.714 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(CC2CCOCC2)C[C@@H]1O 1219611735 HDDAPYKMWDGLGS-CABCVRRESA-N 310.394 -0.386 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)Cc2ccc[nH]2)C1 1221027683 MVELWIOVAWNOBY-OLZOCXBDSA-N 306.366 -0.979 30 20 DBED C#CCCCC(=O)N1C[C@H]2CCN([C@@H](C)C(=O)NC(N)=O)C[C@H]21 1221512671 JZUHZPJYSAUWGS-YNEHKIRRSA-N 320.393 -0.094 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@H]2CCN(CC(=O)NCC=C)C[C@H]21 1221539433 ZHEKELWPKUXRQS-RBSFLKMASA-N 319.405 -0.140 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCC[C@H](NCc2nc(=O)n(C)[nH]2)C1 1222067995 OKVDIWLMGXEWDN-RYUDHWBXSA-N 323.397 -0.220 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@H]2CCN(CC(=O)NC)[C@H]2C1 1222661367 FCHSEJFBXWIJRP-MCIONIFRSA-N 307.394 -0.307 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC(NC(=O)[C@@H](C)CC(N)=O)CC1 1228589243 PMSLHNGIRMYXGV-RYUDHWBXSA-N 322.409 -0.784 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)[C@H]2CCN(C)C2)CC1 1230262869 WMWHJOWKDFKXHG-ZDUSSCGKSA-N 308.426 -0.179 30 20 DBED CN(C[C@@H]1CCN1CCOCCO)C(=O)CSCC#N 1230815570 PWNNTEOBBVOJOW-LBPRGKRZSA-N 301.412 -0.215 30 20 DBED COCC#CCN1CC[C@H]1CN(C)C(=O)[C@H]1CCNC(=O)C1 1233610037 DHNVQSGBUYDNAH-KBPBESRZSA-N 307.394 -0.305 30 20 DBED C=CC[C@H](NC(=O)NCCCN(C)S(=O)(=O)CC)C(=O)O 1321277416 NLZJTSBEPPWSBG-JTQLQIEISA-N 321.399 -0.014 30 20 DBED C=CC1CCN(C(=O)C(=O)NCC(=O)N2CCOCC2)CC1 1322707029 ZXFCJRPVRDTWQQ-UHFFFAOYSA-N 309.366 -0.614 30 20 DBED C#CCCCNC(=O)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1 1322981669 QHUZKWWYZYOIIO-LBPRGKRZSA-N 303.366 -0.355 30 20 DBED CS(=O)(=O)C1(CNC(=O)C(=O)N2CCC(C#N)CC2)CC1 1323717601 OAQAAEZZWWULFE-UHFFFAOYSA-N 313.379 -0.558 30 20 DBED C[C@H](Cc1ccncc1)NC(=O)C(=O)N1CCO[C@H](C#N)C1 1323774796 BAWYMKFTHKZOAL-DGCLKSJQSA-N 302.334 -0.120 30 20 DBED C[C@@H]1CN(C)C(=O)CN1C(=O)C(=O)N1CCC[C@](C)(C#N)C1 1325019676 YJHDCDXVNFRJHP-IAQYHMDHSA-N 306.366 -0.172 30 20 DBED C=CCSCCNC(=O)C(=O)N[C@@H]1CCC(=O)N(C)C1=O 1326701213 ITLCXDRLFKAVKM-SECBINFHSA-N 313.379 -0.715 30 20 DBED C[C@H](C#N)N(C(=O)C(=O)c1cc(S(N)(=O)=O)cn1C)C1CC1 1328403214 KODOSGIQFGWCJY-MRVPVSSYSA-N 324.362 -0.242 30 20 DBED CC1(C)OC[C@@H](CNC(=O)C(=O)N2CCN(CCC#N)CC2)O1 1330221969 NORKAYGQZWXKLJ-GFCCVEGCSA-N 324.381 -0.688 30 20 DBED CS(=O)(=O)N1CCC(NC(=O)C#CC2CCNCC2)CC1 1330584391 JVRLCHCXRQXDEM-UHFFFAOYSA-N 313.423 -0.470 30 20 DBED C=CCn1c(CCc2nn[nH]n2)nnc1N1CCO[C@@H](C)C1 1342038613 SKQIQZYILOEBKS-JTQLQIEISA-N 304.358 -0.013 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)NCCN1CCSCC1 1343080759 QVFQHIJALJBFFV-NSHDSACASA-N 301.412 -0.531 30 20 DBED CNC(=O)CCCNC(=O)C(=O)NCc1ccc(C#N)cc1 1345183663 AJFUPDZAPRDUGJ-UHFFFAOYSA-N 302.334 -0.183 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N[C@H](C)[C@@H](C)N1CCOCC1 1347010585 AJTJJADJRYGIBN-JHJVBQTASA-N 313.398 -0.471 30 20 DBED C=CCn1cc(C(=O)N2CCC[C@H](C(=O)NCCN)C2)nn1 1349386266 LYLXDDMLRMAPMD-NSHDSACASA-N 306.370 -0.609 30 20 DBED N#Cc1ccc(NCC(=O)N[C@H](CO)Cc2cnc[nH]2)nc1 1363655422 GPRGVZVPOBCBNK-LBPRGKRZSA-N 300.322 -0.192 30 20 DBED CN1CCCC[C@@H]1CNS(=O)(=O)N1CCO[C@H](C#N)C1 1364051109 BZUXFXPAQANIOJ-VXGBXAGGSA-N 302.400 -0.471 30 20 DBED C=C(Cl)CN(CCNC(=O)CS(=O)(=O)NC)C1CC1 1366763140 RJMWBRMHIITFJJ-UHFFFAOYSA-N 309.819 -0.131 30 20 DBED Cc1nnc(CN2CCN(CCNC(=O)[C@H](C)C#N)CC2)o1 1376084032 YASAYZULAZKUKN-LLVKDONJSA-N 306.370 -0.229 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1C[C@@H](NC(=O)CN2CCCC2=O)C1 1384545531 FIIPSZRVJLTCHH-SDDRHHMPSA-N 306.366 -0.221 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(CC(=O)N2CCCC[C@H]2C)C1 1393305080 QXNGXKQAMJEOKD-CHWSQXEVSA-N 322.409 -0.290 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)CCNC(N)=O 1393878228 VCLBZUGHRXQACJ-UTUOFQBUSA-N 321.381 -0.204 30 20 DBED Cc1nc(CC(=O)NC[C@H]2C[C@@H](NC(=O)[C@H](C)C#N)C2)n[nH]1 1396533563 XSYCVKZCERACCP-IEBDPFPHSA-N 304.354 -0.174 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@@H]1CCN(C(=O)CN2CCCC2=O)C1 1396776588 RRTZBFGBULJGQR-NWDGAFQWSA-N 306.366 -0.172 30 20 DBED Cn1nccc1CNC[C@H](O)CNC(=O)c1cc(C#N)c[nH]1 1401504885 LLIFTUIOWSLTMO-LBPRGKRZSA-N 302.338 -0.500 30 20 DBED Cc1ccnc2nc(C(=O)N3CC(NC(=O)[C@H](C)C#N)C3)nn12 1409100852 BSAXLRSGCKFVQZ-MRVPVSSYSA-N 313.321 -0.467 30 20 DBED COc1cncc(C(=O)N(C)C[C@H](O)CNC(=O)[C@H](C)C#N)n1 1428189929 KFFWGIVRVKXBLB-NXEZZACHSA-N 321.337 -0.806 30 20 DBED CC[C@H](OC)C(=O)NC[C@@H](O)CNC(=O)c1ccc(C#N)[nH]1 1457945430 XIMUXGLSECWKPL-JQWIXIFHSA-N 308.338 -0.482 30 20 DBED C[C@@H](C#N)C(=O)NC1(C)CCN(CCNS(C)(=O)=O)CC1 1483962257 KHTHMSGWXYEKNJ-NSHDSACASA-N 316.427 -0.334 30 20 DBED CCNC(=O)NC(=O)CN1CC(NC(=O)c2cc(C#N)c[nH]2)C1 1494369709 RRUQGEZMITVNJY-UHFFFAOYSA-N 318.337 -0.854 30 20 DBED COC(=O)CCN(CC(=O)O)[C@H](C)C(=O)NC1(C#N)CCC1 1574055524 CXOZUKMRIGEXEL-SNVBAGLBSA-N 311.338 -0.113 30 20 DBED C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](N)C1 1574951579 DDCFVWDMMOJORZ-UWVGGRQHSA-N 314.415 -0.388 30 20 DBED C[C@H]1CN(C(=O)CCOCc2cnn[nH]2)C[C@@H]1CNCC#N 1576123866 NELNDKMAIPLCNM-RYUDHWBXSA-N 306.370 -0.081 30 20 DBED N#Cc1ccc2c(c1)CCN2C(=O)Cn1cnc(-c2nn[nH]n2)n1 1581874572 XKMPGUDYYOECCS-UHFFFAOYSA-N 321.304 -0.081 30 20 DBED C#C[C@@H](NS(=O)(=O)c1n[nH]c(C)c1C(=O)O)[C@H]1CCCO1 1588377150 JAXJPUNDADQVLB-RKDXNWHRSA-N 313.335 -0.125 30 20 DBED C=CCOC[C@@H](NC(=O)c1c(C)c(C)nn(C)c1=O)C(=O)O 1588856657 OGESQPDHTKTEBV-SNVBAGLBSA-N 309.322 -0.217 30 20 DBED C[C@H](C(=O)N[C@]1(CC(=O)O)CCCOC1)n1cnc(C#N)n1 1589391704 QZTRDLBEGQNAAO-RNCFNFMXSA-N 307.310 -0.149 30 20 DBED N#Cc1ccc(C(=O)OCCn2ncc(-c3nn[nH]n3)c2N)o1 1592691343 PLXGHEUCDYBBMQ-UHFFFAOYSA-N 314.265 -0.033 30 20 DBED N#C[C@]1(NC(=O)[C@@H]2CCCN(CC(=O)O)C2=O)CCSC1 1594602446 NZXVNMVJDXQESY-TVQRCGJNSA-N 311.363 -0.175 30 20 DBED N#Cc1c[nH]c(=O)n(CC(=O)Nc2cccc(C(=O)O)c2)c1=O 1601084260 PYFDYBCCKIMUMT-UHFFFAOYSA-N 314.257 -0.255 30 20 DBED N#Cc1ccc(S(=O)(=O)N2CCOC[C@@H]2CC(=O)O)nc1 1601112116 NZTSNLOTGOHBGK-JTQLQIEISA-N 311.319 -0.183 30 20 DBED N#Cc1cn(CCC(=O)N[C@@H](C(=O)O)C2CC2)c(=O)nc1O 1601128927 FEDMRKKEMAPLEX-SNVBAGLBSA-N 306.278 -0.810 30 20 DBED N#CCNC(=O)CNC(=O)C(=O)Nc1cccc(C(=O)O)c1 1608188202 QEMGHACMEDKUPB-UHFFFAOYSA-N 304.262 -0.921 30 20 DBED COCC#CCN1CCC[C@@H]1CNC(=O)c1cnn(C)c1N 1753101366 PDLRMUAWHJZCDX-GFCCVEGCSA-N 305.382 -0.154 30 20 DBED C#CCCN1CCC[C@@H]1CNC(=O)CNS(=O)(=O)CC 1753106936 VNPNKLBMVOIHOH-GFCCVEGCSA-N 301.412 -0.470 30 20 DBED C=CCN1CC[C@H](N2CC[C@H](CCNC(=O)C(N)=O)C2)C1=O 1753334786 HJPADYWSFCHCTG-RYUDHWBXSA-N 308.382 -0.913 30 20 DBED C#CCNC(=O)CN(C)C[C@H]1CCN(C(=O)C2CC(OC)C2)C1 1753352578 OHJPICWBJKVVRQ-WLYUNCDWSA-N 321.421 -0.059 30 20 DBED CN(CC(=O)N(C)[C@@H]1CCN(CC(=O)NCC#N)C1)C1CCC1 1753439413 NCRAOWLSBGJOQW-CQSZACIVSA-N 321.425 -0.357 30 20 DBED CNS(=O)(=O)CCC(=O)N[C@](C)(CNCC#N)C1CC1 1753519238 ZTRTZTPRSQOGCA-GFCCVEGCSA-N 302.400 -0.676 30 20 DBED C=CCN1CC[C@@H](N(C)CCN(C)C(=O)[C@@H]2CCC(=O)N2)C1=O 1753867418 QPUBGPFVMYGHSP-QWHCGFSZSA-N 322.409 -0.558 30 20 DBED C#CCNC(=O)CNC/C=C\CNC(=O)c1coc(C(N)=O)c1 1754154358 WUNRGLNVKZOUEG-ARJAWSKDSA-N 318.333 -0.997 30 20 DBED C=CCNC(=O)CN1CC[C@](O)(CNC(=O)c2cncs2)C1 1754746341 RGHNJYIVHQPAHC-AWEZNQCLSA-N 324.406 -0.388 30 20 DBED C=CCNC(=O)CN1C[C@H]2CN(C(=O)c3n[nH]cc3F)C[C@H]2C1 1754844914 BCQSPEWDPDIPAC-PHIMTYICSA-N 321.356 -0.145 30 20 DBED C#CCNCC1(NC(=O)c2nnn(C(C)(C)C)n2)CCOCC1 1755096503 XNDIEVZHXHXVKX-UHFFFAOYSA-N 320.397 -0.070 30 20 DBED C=CCCN[C@H](C)[C@H](C)NC(=O)c1c[nH]nc1S(N)(=O)=O 1755252088 DQONPPWHOZTIIH-BDAKNGLRSA-N 315.399 -0.270 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(CNC(=O)c3nonc3C)[C@H]2C1 1755436478 UVFZKJRJYHEXJK-VXGBXAGGSA-N 317.349 -0.965 30 20 DBED C=CCN1CC[C@@H](N[C@@H](C)CN(C)C(=O)c2cn(C)nn2)C1=O 1755585436 PXSFJRKVRIMHQB-NWDGAFQWSA-N 320.397 -0.348 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)Cc2cnc(C)o2)[C@H]1C 1755653498 GCQKISQIPVWDAF-SMDDNHRTSA-N 318.377 -0.146 30 20 DBED C=CCN(C)C[C@@H](O)CN(C)C(=O)[C@@]1(C)CCCS1(=O)=O 1755806412 DWOVMAQTGCGBFB-TZMCWYRMSA-N 318.439 -0.109 30 20 DBED C[C@@H](CN(C)C(=O)C#CC1CC1)NC(=O)[C@]1(C)CNC(=O)C1 1756450967 PAVSIZUZUMGATG-ZBEGNZNMSA-N 305.378 -0.111 30 20 DBED CCn1cccc1C(=O)N[C@@H](CO)CNC(=O)CSCC#N 1756503372 GPZLASMDVPXMJC-LLVKDONJSA-N 324.406 -0.028 30 20 DBED C[C@H](NC(N)=O)C(=O)N1CCC2(CN(C(=O)C#CC3CC3)C2)C1 1756831700 NUJCTWGZQDQVAK-NSHDSACASA-N 318.377 -0.483 30 20 DBED C=CCCC(=O)N[C@@H]1CN(C(=O)[C@H](C)NC(C)=O)C[C@H]1OC 1757121139 YONCUTMVTDDPDU-CYZMBNFOSA-N 311.382 -0.181 30 20 DBED Cn1c([C@@H]2C[C@@H]2C#N)nnc1N1CCC[C@H](NS(C)(=O)=O)C1 1772382042 NZLFAKNAJFJKHF-OUAUKWLOSA-N 324.410 -0.040 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccnnc1O)CCO2 1783055400 YVKPTQPAYDAQHM-HNNXBMFYSA-N 316.317 -0.741 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)ncn1 1793494538 HSIVIWXPQBRUBR-WDAIWFPHSA-N 316.317 -0.981 30 20 DBED CS(=O)(=O)CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CC#N)C2 1795787692 QYJNXDAOUIQITL-JGPRNRPPSA-N 313.379 -0.417 30 20 DBED C#CC(=O)N1CCC2(CCCN(C(=O)Cn3cnnn3)C2)CC1 1810157619 SBLZMMOKZKNLBZ-UHFFFAOYSA-N 316.365 -0.463 30 20 DBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cocn1)CCO2 1834512190 NPGFYZXLKYQCEI-HNNXBMFYSA-N 319.317 -0.622 30 20 DBED CC[C@@H](C)[C@H](N)C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846195094 AXNUSMHRQGZAPG-RISCZKNCSA-N 321.377 -0.349 30 20 DBED CCN(CCC#N)CCn1cnc2c1c(=O)n(C)c(=O)n2C 81040823 QGRIKDLEGKOIAQ-UHFFFAOYSA-N 304.354 -0.331 30 20 DBED C=CCN/C(=N\C)NCCS(=O)(=O)N1CCSCC1 81755504 VHOUSBRQDQZDBL-UHFFFAOYSA-N 306.457 -0.284 30 20 DBED CNC(=O)NC(=O)[C@H](C)N(C)CCCc1n[nH]c(N)c1C#N 125484363 ROZYOCVEBFDYAD-QMMMGPOBSA-N 307.358 -0.428 30 20 DBED CC(=O)N1CC(NC(=O)CNC(=O)c2ccc(C#N)cc2)C1 175781807 BZNUOVJZRTVUGS-UHFFFAOYSA-N 300.318 -0.365 30 20 DBED CC(C)[C@H](C#N)N1CCN(C(=O)CN2C[C@@H](O)C[C@H]2CO)CC1 186480014 SIUZCACCXNBFQB-KKUMJFAQSA-N 324.425 -0.894 30 20 DBED Cc1cc(S(=O)(=O)NCCNS(C)(=O)=O)ccc1C#N 235778521 QVLJSKYWDLGTLG-UHFFFAOYSA-N 317.392 -0.306 30 20 DBED CN1CCN/C1=N\CCC(=O)N1CCN(c2ncccn2)CC1 262479836 CUPMVOSUFQXTNR-UHFFFAOYSA-N 317.397 -0.594 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)C[C@H](O)CNC(=O)OC(C)(C)C 296982706 ZDVYQDGQAASKQN-VXGBXAGGSA-N 313.398 -0.058 30 20 DBED CS(=O)(=O)N1CCC[C@@H]1CNS(=O)(=O)CC1(C#N)CC1 329625708 OOPXQUOMFXNHQR-SNVBAGLBSA-N 321.424 -0.366 30 20 DBED O=S1(=O)CCCN1C/C(O)=N/CC1(N2CCOCC2)CC1 329873072 BYAPEAXZFATLKB-UHFFFAOYSA-N 317.411 -0.157 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCOC[C@]2(C)CC)C1=O 330629240 MRGCQJIXRJHCKJ-HNNXBMFYSA-N 323.349 -0.009 30 20 DBED C[C@@H]1CN(C(=O)Cn2cnc(C#N)n2)CCN1CC(C)(C)O 331304006 TUYPDYIAHIEPPM-LLVKDONJSA-N 306.370 -0.547 30 20 DBED CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1CC(O)(CC#N)C1 331495197 JFWLMYSVCITDAP-JTQLQIEISA-N 317.367 -0.781 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@H]2[C@@H]4O)CCO1 337223221 CZQYVIWOVPGNKX-RQVGPUOWSA-N 313.379 -0.843 30 20 DBED CC[C@@]1(C)NC(=O)N(CC(=O)NC2(C#N)CCOCC2)C1=O 339977130 IUNOSJHLPKRYFG-CYBMUJFWSA-N 308.338 -0.104 30 20 DBED CC[C@H](C(=O)OC)N1CCN(C(=O)Cn2cnc(C#N)n2)CC1 341694712 UMTIXXRFPCYPHY-LLVKDONJSA-N 320.353 -0.754 30 20 DBED N#CCN1CCN(C(=O)c2cccc(OCC(N)=O)c2)CC1 353652544 AUHGAJLMVHOCKD-UHFFFAOYSA-N 302.334 -0.168 30 20 DBED C=CCSCCNC(=O)C(=O)N1CCC[C@@H]2C(=O)NC[C@@H]21 355294968 YBHHVZHXQMFMNN-QWRGUYRKSA-N 311.407 -0.241 30 20 DBED COCCCN(C)CCNC(=O)C(=O)N1CCC(C#N)CC1 357578776 OSBJIMIBADLFQY-UHFFFAOYSA-N 310.398 -0.167 30 20 DBED Cc1c(C#N)cccc1NC(=O)C(=O)N1C[C@@H](O)C[C@@H]1CO 372652345 IUIYWQKUPGOXTR-NEPJUHHUSA-N 303.318 -0.241 30 20 DBED N#C[C@@H]1COCCN1C(=O)CCCS(=O)(=O)N1CCCC1 408244970 FDARNDPKVNFTOT-GFCCVEGCSA-N 315.395 -0.057 30 20 DBED CCNCCNC(=O)C(=O)N1CC(Oc2ccc(C#N)cc2)C1 419899242 YDMKCSJBFWUOGY-UHFFFAOYSA-N 316.361 -0.126 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CCC[C@H]2CNC)nn1 424547586 OTKOHHVSSWFPAD-LBPRGKRZSA-N 306.370 -0.709 30 20 DBED CS(=O)(=O)Nc1ccc(S(=O)(=O)NCC#N)cc1F 433373490 HAKPUTNFVXRQMA-UHFFFAOYSA-N 307.328 -0.001 30 20 DBED C#C[C@H](C)N(C)C(=O)C(=O)Nc1c(OC)ncnc1N(C)C 491375689 XKOKRWYQIKFKKV-VIFPVBQESA-N 305.338 -0.030 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@H](C)S(C)(=O)=O 558561442 XMKSJUFSDLUELW-ZJUUUORDSA-N 311.429 -0.265 30 20 DBED N#Cc1ccc(OC[C@H](O)CNCCN2C(=O)CNC2=O)cc1 564856956 OZJVWIHQAUIYJO-GFCCVEGCSA-N 318.333 -0.561 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)NC[C@H](CC(=O)O)C(=O)O 567053245 XCNZUQJEBHTFAK-SFYZADRCSA-N 307.328 -0.770 30 20 DBED Cc1cccc(=O)n1C[C@](C)(O)C(=O)N1CC[C@](O)(CC#N)C1 592850713 YJOACVHASSDSSV-JKSUJKDBSA-N 319.361 -0.215 30 20 DBED N#CCNC(=O)CNC(=O)N1CCC[C@H](N2CCOCC2)CC1 596599895 WSBCRSCVMXDZCA-ZDUSSCGKSA-N 323.397 -0.478 30 20 DBED CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)c1cc(O)cc(C#N)c1 598032311 ZTKNGRIODMTQEO-VXGBXAGGSA-N 310.331 -0.194 30 20 DBED N#Cc1ccc(OC[C@H](O)CNCCN2CC[C@H](O)C2)cc1 600761484 QIGVQPSSANUNCD-LSDHHAIUSA-N 305.378 -0.046 30 20 DBED CNC(=O)[C@@H]1CCC[C@H]1Nc1c(C#N)c(=O)n(C)c(=O)n1C 611221849 CQVIXSIEMNQYPR-PSASIEDQSA-N 305.338 -0.718 30 20 DBED C=C[C@](C)(O)C(=O)NC[C@@H](CNC(=O)[C@](C)(O)C=C)OCC 613394726 HXRMQXANEFEBLW-UWEBFBLFSA-N 314.382 -0.502 30 20 DBED C=C[C@@](C)(O)C(=O)NCC(CNC(=O)[C@](C)(O)C=C)OC 613427299 PBVYISNWVJEGTD-ZIAGYGMSSA-N 300.355 -0.892 30 20 DBED CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)N1CCO[C@H](C#N)C1 619582291 BOTQPIHJVBKUEU-GHMZBOCLSA-N 310.354 -0.856 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(CCc2cncn2C)c1=O 663938618 KEJYFENGYQLNAP-UHFFFAOYSA-N 317.349 -0.480 30 20 DBED C=C[C@@H](O)C(=O)N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 665825409 CSDKUNSTPLGPNK-ZIAGYGMSSA-N 303.362 -0.096 30 20 DBED C=CCOCC(=O)NS(=O)(=O)c1cc(C(N)=O)n(C)c1 729887245 UDUFWYOPCKOZGF-UHFFFAOYSA-N 301.324 -0.869 30 20 DBED Cn1cc(C(=O)C(=O)OCC(=O)N[C@](C)(C#N)C2CC2)cn1 748437725 YEPNEPLPNUFAJO-CQSZACIVSA-N 304.306 -0.046 30 20 DBED C=CCNC(=O)[C@H](C)OC(=O)Cn1cc([N+](=O)[O-])ccc1=O 748917502 PFLXGOPPKAPJJO-VIFPVBQESA-N 309.278 -0.010 30 20 DBED CS(=O)(=O)C1(C(=O)OCC(=O)NCCC#N)CCCC1 750269130 OHBGHHRSZCUMEI-UHFFFAOYSA-N 302.352 -0.083 30 20 DBED Cc1nc(S(=O)(=O)NCC(=O)N=C2C[C@@H](C)ON2)cn1C 765378450 LMGLHMPNJUSOIT-SSDOTTSWSA-N 315.355 -0.755 30 20 DBED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NOCC(N)=O 772934138 YZHBMFCRJDCFBI-UHFFFAOYSA-N 316.321 -0.316 30 20 DBED C#CCOCCOC(=O)c1cnc2c(c1)c(O)nc(=O)n2C 774190402 LTGGJWFFPZAKTP-UHFFFAOYSA-N 303.274 -0.159 30 20 DBED Cn1cc(S(=O)(=O)NN=CC2(C)CC2)c(=O)n(C)c1=O 782252923 OTABIQYNOQRDET-UHFFFAOYSA-N 300.340 -0.852 30 20 DBED CNC(=O)NCCC(=O)O[C@@H](C(N)=O)c1ccc(C#N)cc1 795638300 SOZJTUCLQVSXOO-GFCCVEGCSA-N 304.306 -0.053 30 20 DBED CC(C)[C@H](OC(=O)[C@@H](C)n1cnc(C#N)n1)C(=O)NC(N)=O 798747042 BOEWSHBQBXEKKA-APPZFPTMSA-N 308.298 -0.527 30 20 DBED C#C[C@H](NC(=O)N[C@@H]1CCc2nnnn2CC1)[C@@H]1CCCO1 817781835 UAKZEGJILHBODE-WOPDTQHZSA-N 304.354 -0.142 30 20 DBED CC#CC[C@H](CO)NC(=O)NCCS(=O)(=O)CC1CC1 826732612 NBEPZEPXEBNDNQ-GFCCVEGCSA-N 302.396 -0.115 30 20 DBED C[C@H](C#N)CN(C)C(=O)[C@H](CO)NC(=O)c1cccc(F)n1 845266243 AUFNWEABMDKCRH-KOLCDFICSA-N 308.313 -0.071 30 20 DBED C#CCOCCN1CCN(CCOCC#C)[C@H](C(=O)N(C)C)C1 851852216 AKJGKBMLPVGHRS-INIZCTEOSA-N 321.421 -0.640 30 20 DBED C#CCCN1CCN([C@H]2CCN(CCC(=O)OC)C2=O)CC1 851872314 BUUDRTRBBNSIIY-AWEZNQCLSA-N 307.394 -0.209 30 20 DBED C#CCNS(=O)(=O)N1CCN(c2nc(C)cnc2C)CC1 882713518 WTLGYCZOXBCEFX-UHFFFAOYSA-N 309.395 -0.317 30 20 DBED C#CCOCCNC(=O)C(=O)Nc1ccc2c(c1)NC(=O)C2 890085553 ODICNCORLKRPOQ-UHFFFAOYSA-N 301.302 -0.114 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@@H](C)[C@H]2CCCO2)CC1 906556961 SDEJKNCJHBASPK-UONOGXRCSA-N 307.394 -0.305 30 20 DBED Cc1nn(C)c(N2CCN(C(=O)NCC#CCO)CC2)c1C#N 923774339 YABSUXZZPABWER-UHFFFAOYSA-N 316.365 -0.573 30 20 DBED COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)NCC#CCO)C1 923781837 CZKWGYXLBVKXPJ-QWHCGFSZSA-N 311.382 -0.445 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CC[C@H](CCN)C2)C1=O 926357356 ONVJREFFFACGGG-STQMWFEESA-N 322.409 -0.571 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@H](CNC(=O)c2ccn(C)n2)C1 944600587 KSBNEBLRUZAHTD-WDEREUQCSA-N 305.338 -0.463 30 20 DBED Cn1cc(C(=O)NC[C@H]2CCN2C(=O)C#CC2CC2)nc1O 951958888 MJTNVFRJJDNJDA-LLVKDONJSA-N 302.334 -0.130 30 20 DBED C#CCCN1CC(N(CC)C(=O)[C@H]2COCCN2C(C)=O)C1 957407805 CVZBTTFMIPTXJK-OAHLLOKOSA-N 307.394 -0.210 30 20 DBED C#CCCN1C[C@H](CNC(=O)c2cnn3ccncc23)[C@@H](O)C1 958145065 GQSSEDXBTZLSBT-WFASDCNBSA-N 313.361 -0.225 30 20 DBED N#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cnn3ccncc23)C1 958145387 KBTIJTMPTGWVML-GXFFZTMASA-N 300.322 -0.725 30 20 DBED N#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cc(O)nc(C3CC3)n2)C1 958157625 OHWBBYRTZIHQLB-CMPLNLGQSA-N 317.349 -0.394 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2c(OC)ccnc2OC)C1 958248500 JVYSAPHHVGAHAC-VXGBXAGGSA-N 319.361 -0.246 30 20 DBED Cc1cc(C(=O)NC[C@H]2CN(CC#N)C[C@@H]2O)ncc1C(N)=O 958410164 YZZRUGKHOJBSOK-GWCFXTLKSA-N 317.349 -0.965 30 20 DBED CC#CCN1C[C@H](O)[C@H](CNC(=O)c2ccc(OC)nn2)C1 958571579 ZTFGQIUYSNXXHO-YPMHNXCESA-N 304.350 -0.469 30 20 DBED CSCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C#N)c[nH]2)C1 958799779 XDYRNHOLEWHQGB-RYUDHWBXSA-N 322.390 -0.107 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)CC(N)=O)C[C@@H]2CC1 967381075 KCOURFWHNGORDC-SDDRHHMPSA-N 306.366 -0.282 30 20 DBED CCN(C(=O)c1c[nH]c(=O)cn1)C1CN(C(=O)C#CC2CC2)C1 968283559 HPENIGLOHOGTPE-UHFFFAOYSA-N 314.345 -0.144 30 20 DBED C#CCCN1CC[C@@H](C)[C@@H](NC(=O)CN2C(=O)CCC2=O)C1 968631659 INBULUFZRKNTCJ-OLZOCXBDSA-N 305.378 -0.015 30 20 DBED C[C@@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)[C@@H]1CCC(=O)N1)C2 969805035 IWDBYASEHLGKLF-BJDJZHNGSA-N 304.350 -0.374 30 20 DBED C=CCN1C[C@H]2CC[C@H]1CN2C(=O)Cn1ccc(=O)n(C)c1=O 971448217 NNBZNPJFJMKYMW-QWHCGFSZSA-N 318.377 -0.592 30 20 DBED COc1ncc(C(=O)N[C@H]2[C@@H]3CN(C(=O)[C@H](C)C#N)C[C@@H]32)cn1 977117640 OCQQYIDVCCJXNS-YJQGPUDQSA-N 315.333 -0.169 30 20 DBED N#Cc1cc(C(=O)NCC2[C@@H]3CN([C@H]4CCNC4=O)C[C@@H]23)c[nH]1 978030020 RXLZWZMSQKRKBE-IHRRRGAJSA-N 313.361 -0.318 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]1CN(C)C(=O)c1cn(C)c(=O)cn1 978163479 XQVLPKKTHVIPSI-QWRGUYRKSA-N 317.349 -0.387 30 20 DBED CC[C@@H]1[C@@H](NC(=O)Cn2cnnn2)CCN1C(=O)C#CC1CC1 984517305 YJCRNCYEAWFFRJ-QWHCGFSZSA-N 316.365 -0.418 30 20 DBED COC(=O)[C@H]1C[C@@H]1C(=O)NC1CN(C(=O)c2c[nH]c(C#N)c2)C1 990466873 FSTKKPHNRQOMJM-RYUDHWBXSA-N 316.317 -0.364 30 20 DBED N#Cc1cc(C(=O)N[C@H]2CCN(C(=O)C(F)F)C[C@@H]2O)c[nH]1 991402399 SMTPDKMZGWYTNN-UWVGGRQHSA-N 312.276 -0.157 30 20 DBED CN1C(=O)CN(CC(=O)N[C@@]23CCC[C@H]2N(CC#N)CC3)C1=O 992397734 PBFFNLWUOXUMIM-IAQYHMDHSA-N 319.365 -0.483 30 20 DBED CC#CCN1CC[C@@]2(NC(=O)CN3C(=O)CNC3=O)CCC[C@@H]12 992465679 DYOACZGPHDNMIZ-WBMJQRKESA-N 318.377 -0.325 30 20 DBED C[C@H](C#N)C(=O)N1CC(NC(=O)[C@@H]2CCn3ccnc3C2)C1 994605394 XAYPOMYDBIRXST-GHMZBOCLSA-N 301.350 -0.068 30 20 DBED C#CCN1CCC([C@@H](C)NC(=O)[C@H]2CCS(=O)(=O)N2)CC1 997436142 QIEUEGSANTYNIC-DGCLKSJQSA-N 313.423 -0.472 30 20 DBED C#Cc1cncc(C(=O)NC2CN(C(=O)Cc3ncc[nH]3)C2)c1 999314509 GNTCKRQLSOTSHB-UHFFFAOYSA-N 309.329 -0.031 30 20 DBED C#CCN1CC[C@@H](n2cc(CNC(=O)[C@H]3CCCO3)nn2)C1 999964437 YNILXHCKBZBDMW-ZIAGYGMSSA-N 303.366 -0.047 30 20 DBED C[C@@H](C#N)C(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)C(N)=O)CC1 1001875359 BNQOZALIJLLWCS-WCQGTBRESA-N 322.365 -0.856 30 20 DBED C#Cc1ccc(C(=O)N2C[C@H]3CC[C@H]2CN3C(=O)C(N)=O)cc1 1007440103 NSSNPNZNQZOIMS-UONOGXRCSA-N 311.341 -0.031 30 20 DBED C=CCN1CCC[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 1008739167 UDICBULZNFUTOJ-LLVKDONJSA-N 306.366 -0.536 30 20 DBED C[C@H]1C[C@H](NC(=O)C2CS(=O)(=O)C2)CN1C(=O)C#CC1CC1 1012590079 IFAUUNFLFOPEGY-GWCFXTLKSA-N 324.402 -0.450 30 20 DBED C=CCN[C@H]1CCN(C(=O)Cn2nc3ccccn3c2=O)C1 1019215067 GNSWSHVBXWDKBE-LBPRGKRZSA-N 301.350 -0.128 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCN(C(=O)CCn3cncn3)C2)C1 1019361815 RZKQUPYMDSVVMH-LBPRGKRZSA-N 316.365 -0.111 30 20 DBED CC[C@H](OC)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 1023429823 YGHIBJUPLLUMOK-UPJWGTAASA-N 320.349 -0.387 30 20 DBED C=C[C@](C)(CC)C(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2nccn2)C1 1023898796 ZYIGADZQBPLELI-LALPHHSUSA-N 321.381 -0.432 30 20 DBED C=CCN[C@@H]1CC[C@@H]2CN(C(=O)Cn3nc(C)n(C)c3=O)C[C@@H]21 1026409774 NYDXPQQIQHJYBG-HZSPNIEDSA-N 319.409 -0.097 30 20 DBED CN(CC#N)[C@@H]1CCCN(C(=O)c2cc(=O)n3[nH]cnc3n2)C1 1027647656 JOENPXIOZFVEHA-SNVBAGLBSA-N 315.337 -0.522 30 20 DBED C#CCN1CCC(C(=O)NC2CN(CC(=O)N(C)C)C2)CC1 1031435220 ULHRPTTUDWERBK-UHFFFAOYSA-N 306.410 -0.780 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCC1CN(CC(=O)N(C)C)C1 1031740443 CEHNTRRBMMWWPG-AWEZNQCLSA-N 306.410 -0.780 30 20 DBED C=CCN1CC[C@H](N2CC(CNC(=O)[C@H]3CCN(C)C3)C2)C1=O 1032186361 OYLDQZDWPFMGHD-GJZGRUSLSA-N 320.437 -0.227 30 20 DBED CN(C(=O)c1c[nH]c(C#N)c1)[C@@H]1CCN(Cc2nnn(C)n2)C1 1033017899 BFXCJPCXCVOQFS-GFCCVEGCSA-N 314.353 -0.244 30 20 DBED C=CCN1CC[C@@H](NC[C@H]2CCCN2C(=O)c2cnn[nH]2)C1=O 1034980813 FXBQURRGCOIGBM-VXGBXAGGSA-N 318.381 -0.214 30 20 DBED C=CCN1CCO[C@@H](CNC(=O)c2ccc(C(N)=O)cn2)C1 1035620143 FKVPSOBGFNLRCY-LBPRGKRZSA-N 304.350 -0.203 30 20 DBED N#CCN1CC[C@H]2CN(C(=O)CN3CCOCC3=O)CC[C@@H]21 1036739342 XDXOKBYIDQGIGL-STQMWFEESA-N 306.366 -0.708 30 20 DBED C#CCN1CC[C@H]2CN(C(=O)c3cc(=O)n(C)cn3)CC[C@H]21 1036740283 PIGAEUBIVFGFOB-GXTWGEPZSA-N 300.362 -0.050 30 20 DBED Cn1cc(C(=O)N2CC[C@H]3[C@@H](CCN3CC#N)C2)ncc1=O 1036775887 BWJLDVYTRDAUFR-AAEUAGOBSA-N 301.350 -0.160 30 20 DBED C#CCCN1CC[C@H]2CN(C(=O)C3CC(=O)NC(=O)C3)CC[C@H]21 1036842999 XSSONXFYXFWNJJ-GXTWGEPZSA-N 317.389 -0.015 30 20 DBED N#CCOc1ccc(CN2C[C@H]3C[C@H]2[C@@H]3NC(=O)C(N)=O)cc1 1037563472 DYAPBASEVYFZMH-KWCYVHTRSA-N 314.345 -0.237 30 20 DBED C=C(C)CN1C[C@H]2C[C@H]1[C@@H]2NC(=O)CN1CC(=O)N(C)C1=O 1037674322 JIEGYOGBEPGEJY-UHIISALHSA-N 306.366 -0.355 30 20 DBED C#CCCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)Cn1nc(C)n(C)c1=O 1037695006 BYWQBNNOOFIRHT-MBNYWOFBSA-N 303.366 -0.898 30 20 DBED C#CCCCC(=O)NC[C@]1(O)CCN(C(=O)CN2CCCC2)C1 1039575705 DURBFNCULAAKGE-QGZVFWFLSA-N 321.421 -0.035 30 20 DBED C#CCCCC(=O)NC[C@]1(O)CCN(C(=O)CCCC(N)=O)C1 1039580136 ODAXUPMYZPKPKS-MRXNPFEDSA-N 323.393 -0.475 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@]1(O)CCN(C(=O)COCC)C1 1039722127 RSXGZSNMRJCKHM-WFASDCNBSA-N 312.366 -0.859 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)Cc2ncc[nH]2)C1 1040696117 YEFVMETVVGTNKQ-IINYFYTJSA-N 305.338 -0.809 30 20 DBED Cc1cc(C(=O)N2CC[C@](O)(CNC(=O)[C@@H](C)C#N)C2)cnn1 1040762846 MDZPYLWZSRRPBL-BONVTDFDSA-N 317.349 -0.362 30 20 DBED Cn1ccc(C(=O)N[C@@H]2CN(c3ccc(C#N)nn3)C[C@H]2O)n1 1041053226 OKEUWIPXSCUNHC-VXGBXAGGSA-N 313.321 -0.939 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@@H]2OCC)C1 1041691330 SFGCKGONKZBLKU-OLZOCXBDSA-N 324.377 -0.859 30 20 DBED C#CCN1CC[C@@H]2CCN(C(=O)Cn3ccc(O)nc3=O)C[C@H]21 1042143447 UQRPPLOWLGMSLW-CHWSQXEVSA-N 316.361 -0.495 30 20 DBED C#CCN1CC[C@@H]2CCN(C(=O)Cn3c(O)nnc3O)C[C@@H]21 1042325141 DMICWECDKUWYIA-MNOVXSKESA-N 305.338 -0.755 30 20 DBED C#CCCCCC(=O)NCC1(O)CN(C(=O)c2ccn(C)n2)C1 1042664452 WLNVEUMOWMWONV-UHFFFAOYSA-N 318.377 -0.083 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)c2nnn(C)c2C)C1 1042803018 QUDDLWFRBNAVIZ-UHFFFAOYSA-N 319.365 -0.770 30 20 DBED CCOCC1(C(=O)N2CC(O)(CNC(=O)C#CC3CC3)C2)CC1 1042963803 VSWJFUDPIHRSHJ-UHFFFAOYSA-N 320.389 -0.094 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2conc2C)C1 1043039280 BIYCGBAOLYJBDS-NSHDSACASA-N 321.333 -0.676 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)Cn2nccn2)C1 1043214053 WQNKDHLOHSRGHL-UHFFFAOYSA-N 307.354 -0.820 30 20 DBED COCCC1(C(=O)NCC2(O)CN(C(=O)C#CC3CC3)C2)CC1 1043344771 YUAOETSHCREDNV-UHFFFAOYSA-N 320.389 -0.094 30 20 DBED N#Cc1cnccc1N1C[C@H](O)[C@H](NC(=O)[C@@H]2CCCO2)C1 1043844683 HADCFSQKAUTCAF-XBFCOCLRSA-N 302.334 -0.202 30 20 DBED C=CCCOCC(=O)N1CC(O)(CNC(=O)c2[nH]nnc2C)C1 1044374765 GSPITZXSYNQISO-UHFFFAOYSA-N 323.353 -0.991 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)c2ccncn2)C1 1045164841 GUPYJTOEDDBLHH-UHFFFAOYSA-N 302.334 -0.417 30 20 DBED N#CCN1CC[C@@H](N2CCN(C(=O)c3c[nH]c(=O)cn3)CC2)C1 1046054019 GSDSACZOTZXSAN-GFCCVEGCSA-N 316.365 -0.874 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)C(=O)N2CCC(C)CC2)C1 1047555147 QILPQUWFKWXHMC-KBPBESRZSA-N 309.410 -0.066 30 20 DBED C=CCCOCC(=O)N(C)[C@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1O 1049007350 GVKZKYMBNJEMOK-AGIUHOORSA-N 309.366 -0.231 30 20 DBED C=CCCOCC(=O)N(C)[C@H]1CN(C(=O)c2ncc[nH]2)C[C@@H]1O 1049007863 TWPFXLUDOLJLSO-RYUDHWBXSA-N 322.365 -0.354 30 20 DBED C=CCO[C@H](C)C(=O)N(C)[C@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1O 1049011155 OEPUBRGEDDDLMY-VWYCJHECSA-N 323.353 -0.961 30 20 DBED C[C@@H](NC(=O)CC(N)=O)[C@@H]1CCN(C(=O)CSCC#N)C1 1050098003 NPZVAAPAQNAHJU-NXEZZACHSA-N 312.395 -0.528 30 20 DBED CC#CCN1CCOC[C@H]1CNC(=O)c1nnn(C(C)(C)C)n1 1050924065 BYTYXOATFSFCSH-GFCCVEGCSA-N 320.397 -0.118 30 20 DBED CC#CCN1CCOC[C@@H]1CNC(=O)c1coc(C(N)=O)c1 1051040967 RUWKMAFEZFXJPJ-LBPRGKRZSA-N 305.334 -0.168 30 20 DBED C=CCOCC(=O)N[C@@H](C)[C@@H]1CCN(C(=O)c2cnn[nH]2)C1 1051130622 SOOUCCXFRZCHKB-WDEREUQCSA-N 307.354 -0.026 30 20 DBED CC#CCN1CCOC[C@H]1CNC(=O)c1ccc(=O)n(C)n1 1051237333 QTOQZMGDSXNPIA-GFCCVEGCSA-N 304.350 -0.766 30 20 DBED CC#CCN1CCOC[C@@H]1CNC(=O)[C@H]1CCc2nncn2C1 1051256482 WMKHWGOZHAAXGJ-KBPBESRZSA-N 317.393 -0.319 30 20 DBED CC(C)C#CC(=O)N[C@@H](C)[C@@H]1CCN(C(=O)c2nnn(C)n2)C1 1051341257 GMKDVGKVZCKBCJ-NWDGAFQWSA-N 318.381 -0.164 30 20 DBED N#Cc1nccnc1N1CC[C@@H](NC(=O)c2cc[nH]n2)[C@@H](O)C1 1051612454 LMBRUBOMFBEEPA-SKDRFNHKSA-N 313.321 -0.559 30 20 DBED C=CCOCC(=O)N1C[C@@H](C)[C@H](CNC(=O)c2cnn(C)n2)C1 1052220609 LCDHRYJOTNSYGG-VXGBXAGGSA-N 321.381 -0.158 30 20 DBED CNC(=O)NCC(=O)N1C[C@@H](C)[C@@H](CNC(=O)C#CC2CC2)C1 1052775060 APEQUDZYDTZZAG-YPMHNXCESA-N 320.393 -0.461 30 20 DBED C#CCN1CCC[C@@H](NC(=O)CN2CCC(=O)NC2=O)CC1 1052845216 VPNYJAMPSKZEQX-GFCCVEGCSA-N 306.366 -0.468 30 20 DBED C=C(C)CN1CC2(C1)CN(C(=O)[C@@H](C)S(C)(=O)=O)CCO2 1053309168 AOMXJGHEEWWGRJ-GFCCVEGCSA-N 316.423 -0.091 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)[C@@H]1CC[C@@H]1C(N)=O)CCO2 1053373856 SBSYYHMAYMPPIS-QWHCGFSZSA-N 305.378 -0.566 30 20 DBED CC#CCN1CC2(CC[C@@H](CNC(=O)[C@H]3CN(C)CCO3)O2)C1 1053586893 YYQQXDTZTMGASV-LSDHHAIUSA-N 321.421 -0.310 30 20 DBED C=CCN1CC2(C[C@H](NC(=O)Cn3ccc(O)nc3=O)CO2)C1 1053863404 KPSTZECKVUBVMY-NSHDSACASA-N 320.349 -0.906 30 20 DBED C[C@@H](C(=O)N1CCN(c2nccnc2C#N)CC1)n1cncn1 1055753981 GNVSASRIYDHRFE-NSHDSACASA-N 312.337 -0.150 30 20 DBED CN1CC[C@H](C(=O)N2CCN(c3ccc(C#N)nn3)CC2)C1 1055818787 YAYOZUAZYFTCMQ-LBPRGKRZSA-N 300.366 -0.051 30 20 DBED C[C@H](C#N)C(=O)N[C@]1(CO)CCCN(C(=O)c2csnn2)C1 1056095459 BSSPQGMDHFPWOH-NOZJJQNGSA-N 323.378 -0.219 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)COC 1056180267 WPJQCVUTIGMDCU-QWHCGFSZSA-N 321.377 -0.636 30 20 DBED CN(c1cncc(C#N)n1)[C@H]1CCN(C(=O)c2nnn(C)n2)C1 1057006498 UGGAUIAZKHPVDH-JTQLQIEISA-N 313.325 -0.777 30 20 DBED C#CCOCCC(=O)N(CCO)CCNC(=O)c1cnco1 1057584685 QMKGVEHOWXTZKO-UHFFFAOYSA-N 309.322 -0.735 30 20 DBED C=CC(C)(C)CC(=O)N(CCO)CCNC(=O)c1cnnn1C 1057694623 LVEGOJAUZNYEFU-UHFFFAOYSA-N 323.397 -0.032 30 20 DBED Cc1cncn1CC(=O)N(CCO)CCNC(=O)[C@H](C)C#N 1058111469 ZHBOEPSKXXHEMW-LLVKDONJSA-N 307.354 -0.712 30 20 DBED N#Cc1nccnc1N1CC[C@@H](NC(=O)C2CS(=O)(=O)C2)C1 1058456321 MAFFKANNACPWKN-SNVBAGLBSA-N 321.362 -0.912 30 20 DBED Cc1nonc1CC(=O)N(CCO)CCNC(=O)C#CC(C)C 1058688572 YVMSVINVOMKERS-UHFFFAOYSA-N 322.365 -0.483 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)[C@]1(C)CCC(=O)N1 1058749108 DSTQWZAYHRHWEX-INIZCTEOSA-N 323.393 -0.748 30 20 DBED C=C[C@](C)(O)CC(=O)NCC[C@@H]1CCN(C(=O)CC(N)=O)C1 1059379237 NMMANOUPOGPVDX-ABAIWWIYSA-N 311.382 -0.456 30 20 DBED Cn1ccc(C(=O)N[C@H]2C[C@@H](N=c3cc[nH]c(C#N)n3)C2)cc1=O 1059877648 UUFYNGUAZSXCQX-TXEJJXNPSA-N 324.344 -0.158 30 20 DBED Cn1ncc(C(=O)NC[C@H]2CCN(c3nccnc3C#N)C2)n1 1061622924 MGVUNTMYSCOGIF-SNVBAGLBSA-N 312.337 -0.267 30 20 DBED Cc1cc(CC(=O)N2CCOC[C@@H]2CNC(=O)[C@@H](C)C#N)n[nH]1 1061845604 JWEPEBBEQVDFQB-GWCFXTLKSA-N 319.365 -0.236 30 20 DBED N#Cc1nccnc1N1[C@H]2CC[C@H]1CN(C(=O)Cn1cncn1)C2 1061966331 ZUTRESMTZWLBPK-RYUDHWBXSA-N 324.348 -0.180 30 20 DBED N#Cc1nccnc1N1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1COC(=O)N1 1062481089 FKHYXCYUIRKULE-ATZCPNFKSA-N 314.305 -0.754 30 20 DBED N#Cc1cnc(N2CCO[C@H](CNC(=O)[C@@H]3CCOC3)C2)cn1 1063618779 JTJZAVDQPPVERJ-DGCLKSJQSA-N 317.349 -0.294 30 20 DBED Cn1nncc1C(=O)N[C@]1(C)CCN(c2ccnc(C#N)n2)C1 1065251534 YFFSTKZVOUZKOC-CQSZACIVSA-N 312.337 -0.124 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC[C@@H](NC(=O)CNC(C)=O)CC1 1065777381 VZGLLFCISLKXCG-TZMCWYRMSA-N 323.393 -0.342 30 20 DBED C#CCOCCC(=O)N1CCC[C@@H](NC(=O)c2cnn[nH]2)CC1 1066301371 RCBUVSPAZHQSOP-GFCCVEGCSA-N 319.365 -0.045 30 20 DBED N#Cc1ccc(NCC2CC(NC(=O)Cn3nccn3)C2)nn1 1067868706 VNLHIKUKZYJKKB-UHFFFAOYSA-N 312.337 -0.053 30 20 DBED C=CCO[C@H](C)C(=O)N1CC2(CN(C(=O)COC)CCO2)C1 1068275216 MPWNOQZWNHEUHI-GFCCVEGCSA-N 312.366 -0.336 30 20 DBED C=CCN[C@@H]1CN(C(=O)[C@@H]2CCCNC2=O)C[C@@H]1n1ccnn1 1070213036 FQSNSEMAAOTYIT-UPJWGTAASA-N 318.381 -0.668 30 20 DBED C=CCN[C@@H]1CN(C(=O)c2cn(CC)nn2)C[C@@H]1n1ccnn1 1070303936 BAKRUQSRGXVJGD-YPMHNXCESA-N 316.369 -0.269 30 20 DBED C#CCN[C@@H]1CN(C(=O)Cc2cc[nH]n2)C[C@H]1c1cn(C)cn1 1070478263 RUSXIUDIWQOYAO-DZGCQCFKSA-N 312.377 -0.097 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@@H](NC(=O)[C@@H](C)COC)C1 1070636366 UPBNNSHQPGHTMY-QWHCGFSZSA-N 323.393 -0.484 30 20 DBED N#CCN1C[C@H]2C[C@@H]3CN(C(=O)[C@@]45COC[C@@H]4C5)C[C@@]3(C1)O2 1070803502 OAUFQYILHWYEQW-HDNYOTOHSA-N 303.362 -0.152 30 20 DBED C[C@H]1C[C@@H](C(=O)N2CCC(=O)NCCN(CC#N)CC2)CO1 1070976666 LQTRFMAQPMURNC-QWHCGFSZSA-N 308.382 -0.415 30 20 DBED CC(C)C#CC(=O)N1C[C@H](C)[C@H](NC(=O)Cn2ncnn2)C1 1072049992 XNTYPWJHELWWCK-NWDGAFQWSA-N 304.354 -0.704 30 20 DBED C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)CC[C@H]1NC(=O)CC(N)=O 1073840671 VURVKWGRDHFDCC-BXKDBHETSA-N 317.349 -0.271 30 20 DBED N#CCN1CCO[C@@H]2CCN(C(=O)C34CCN(CC3)C4)C[C@H]21 1074385849 XUCUULWUMSBZNH-ZIAGYGMSSA-N 304.394 -0.093 30 20 DBED C[C@H](C#N)C(=O)N1CCC(O)(CNC(=O)c2cnn(C)c2)CC1 1074703782 RQXWMZAUIKOXMD-LLVKDONJSA-N 319.365 -0.337 30 20 DBED C[C@@H](CCNC(=O)C#CC1CC1)NC(=O)[C@@]1(C)CCNC1=O 1076428673 GDUZMUVUSFAFQM-ZBEGNZNMSA-N 305.378 -0.063 30 20 DBED C#CCO[C@@H](C)C(=O)NCC[C@H](C)NC(=O)CC(=O)N(C)C 1076510177 FZJBPUGKHHLMQL-RYUDHWBXSA-N 311.382 -0.486 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CN(C[C@H]3CCOC3)C[C@H]2O)c1 1076855803 ODGFUOAZCONBEX-LERXQTSPSA-N 304.350 -0.302 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)c2sccc2-n2cnnn2)C1 1077293204 WRBTXYRXVRRXLP-MWLCHTKSSA-N 320.378 -0.315 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2cccc(C(=O)N(C)C)c2)C1 1078021739 JERUWYNPORIEPX-HUUCEWRRSA-N 315.373 -0.204 30 20 DBED C[C@@H](CCNC(=O)[C@H](C)C#N)NC(=O)CN1CCOCC1=O 1078134626 DSWDEBNHVPRAHL-MNOVXSKESA-N 310.354 -0.984 30 20 DBED C=CC(C)(C)C(=O)N1CC(N(CC)C(=O)Cn2cnnn2)C1 1079288936 YJTQCLSEZNDUCD-UHFFFAOYSA-N 306.370 -0.055 30 20 DBED C=CCOCC(=O)N(CC)C1CN(C(=O)[C@@H]2CCC(=O)NC2)C1 1079482472 XBIVSLPGBRGFQX-GFCCVEGCSA-N 323.393 -0.226 30 20 DBED C#CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)[C@@H]2CCNC2=O)C1 1079775072 RVAUUJAAYBYERA-DGCLKSJQSA-N 321.377 -0.780 30 20 DBED CCN(C(=O)CCS(C)(=O)=O)C1CN(C(=O)[C@H](C)C#N)C1 1080055828 PKSAVUFKUTTYLF-SNVBAGLBSA-N 315.395 -0.360 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCC(CO)(NC(=O)COC)CC1 1080676787 MZGNSDFDUHJWHE-LBPRGKRZSA-N 314.382 -0.306 30 20 DBED C#CCC1(C(=O)N2C[C@H](O)[C@H](CNC(C)=O)C2)CCOCC1 1081129470 UUUJYWLHMJFUPV-KGLIPLIRSA-N 308.378 -0.238 30 20 DBED C#Cc1cncc(C(=O)N2C[C@@H](O)[C@H](CNC(=O)C(F)F)C2)c1 1081161598 SBEHLUVRPPDJEU-VXGBXAGGSA-N 323.299 -0.123 30 20 DBED C#CCOCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2ccco2)C1 1081192321 SAFIYVKRNRVSBW-QWHCGFSZSA-N 320.345 -0.131 30 20 DBED C=CCCCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2nnn(C)n2)C1 1081655661 HUYZDFQYIRRYOX-MNOVXSKESA-N 322.369 -0.885 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CCN(C)C)C1 1081730486 SVECDWZNEKFMLG-UONOGXRCSA-N 309.410 -0.467 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CCn1cncn1 1083003536 IYALPOPVSBTBDN-UONOGXRCSA-N 303.366 -0.397 30 20 DBED COCc1nocc1C(=O)N1CCO[C@@H]2CN(CC#N)C[C@@H]21 1083245285 JHUKNTBHECBILT-QWHCGFSZSA-N 306.322 -0.130 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)c2c(OC)ccnc2O)C1 1083959225 MRTGMXYSMLBCDT-MNOVXSKESA-N 305.334 -0.406 30 20 DBED CN(C)C(=O)Cn1cc(C(=O)N(C)C[C@H]2CCN2CC#N)nn1 1085986901 PCLFOYAVYCONKT-LLVKDONJSA-N 319.369 -0.964 30 20 DBED C[C@@H]1[C@@H](NC(=O)[C@@H]2CCN(C)S2(=O)=O)CCN1CC#N 1088913824 RGMVTGMNVHUGHY-VWYCJHECSA-N 300.384 -0.877 30 20 DBED N#Cc1cccnc1N1CCCO[C@@H](CNC(=O)C(N)=O)C1 1089555201 OPOLQMKDCVLQKI-NSHDSACASA-N 303.322 -0.850 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2nc(C)c(C)[nH]c2=O)[C@H](O)C1 1090358111 JJIWJZLCQUWHPY-CHWSQXEVSA-N 318.377 -0.425 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2ccc(OC)nn2)[C@@H](O)C1 1090703705 IQSKHTIWKXUIQM-YPMHNXCESA-N 304.350 -0.327 30 20 DBED C#CCOc1ncccc1C(=O)N[C@@H]1CCN(CCO)C[C@@H]1O 1090738224 XBJLTCNAMGZFNY-KGLIPLIRSA-N 319.361 -0.749 30 20 DBED C#CCCN1C[C@@H]2CN(C(=O)C[C@@H]3NC(=O)NC3=O)C[C@]2(C)C1 1091748475 NMHCXXTVQJEXNL-WQGACYEGSA-N 318.377 -0.612 30 20 DBED Cc1nc2nccc(C(=O)NCCN=c3cc[nH]cc3C#N)n2n1 1093760184 SJVPYHFMNJCABW-UHFFFAOYSA-N 322.332 -0.037 30 20 DBED CN1C(=O)CC[C@H]1CC(=O)NCCN=c1cc[nH]cc1C#N 1094056058 XSDATNNPTRNLTR-LBPRGKRZSA-N 301.350 -0.086 30 20 DBED CC#CCN1CC(n2cc(CNC(=O)c3nc[nH]n3)nn2)C1 1094330433 IXYCYJRDIYAKSN-UHFFFAOYSA-N 300.326 -0.794 30 20 DBED N#Cc1c[nH]ccc1=NCCCNC(=O)[C@H]1CCCNC1=O 1094628216 MFFZBJPUNVNCTB-LBPRGKRZSA-N 301.350 -0.180 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)c3c(C)n[nH]c3C)CC2=O)C1 1094798542 YVOMWVZXIJQIOU-LBPRGKRZSA-N 315.377 -0.325 30 20 DBED COCC(=O)N[C@H](C)C(=O)NCCCNc1ccc(C#N)nn1 1094844790 VMDJLNFAOVHQOW-SNVBAGLBSA-N 320.353 -0.582 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CCCN(c2nccn3nnnc23)C1 1096153193 WTXVWNNUXLYDAN-VHSXEESVSA-N 300.326 -0.236 30 20 DBED N#Cc1ccc(N[C@@H](CNC(=O)Cn2ncnn2)C2CC2)nn1 1096732002 ZDFMUXLJSOVHFO-NSHDSACASA-N 313.325 -0.658 30 20 DBED CC(=O)NCC(=O)NC[C@H]1CCCCN1c1ccnc(C#N)n1 1097385624 NDSHKDZWWLHQJV-GFCCVEGCSA-N 316.365 -0.041 30 20 DBED C=CCCNCc1cn([C@@H]2CCN(C(=O)CNC(N)=O)C2)nn1 1098615206 MUMPXRNRXCCZEQ-GFCCVEGCSA-N 321.385 -0.615 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@H](n2cc(CNCC#N)nn2)C1 1098672648 HTNCFGUURJKCIE-JSGCOSHPSA-N 316.365 -0.297 30 20 DBED COCCOCC(=O)NCC[C@H](C)N=c1cc[nH]c(C#N)n1 1098946420 AMGCNEXHWXLYIY-NSHDSACASA-N 307.354 -0.260 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(CC(=O)NCCC)C[C@H]1O 1099737770 DLIPTAXHXMPWKQ-CHWSQXEVSA-N 313.398 -0.733 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2cncn2C)[C@H](O)C1 1099907676 ZPLLDDQLQBFVIS-GXTWGEPZSA-N 306.366 -0.765 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)CS(=O)(=O)N(C)C)[C@H](O)C1 1100092168 KLRYLFPNXRSVCX-NWDGAFQWSA-N 319.427 -0.995 30 20 DBED COCCCNC(=O)CNC1CC(CNC(=O)[C@@H](C)C#N)C1 1100191552 OSYNVRQHIDULIX-HIFPTAJRSA-N 310.398 -0.217 30 20 DBED Cc1cc(C#N)nc(N(C)CCNC(=O)c2cn(C)c(O)n2)n1 1100301811 DRVSPVGWRZAFQI-UHFFFAOYSA-N 315.337 -0.038 30 20 DBED CCN(CCNC(=O)Cn1cnnc1O)c1ccc(C#N)nc1 1100498160 WMPQILLIQABAIK-UHFFFAOYSA-N 315.337 -0.107 30 20 DBED COC(=O)NCC(=O)NC[C@H]1CCCN1c1ccc(C#N)nn1 1100802192 ISOYTQZVQNYAQK-LLVKDONJSA-N 318.337 -0.211 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CCCN1c1ccc2nnnn2n1 1100809765 INEFYTNVJAQFSB-VHSXEESVSA-N 300.326 -0.236 30 20 DBED CS(=O)(=O)CC(=O)NC[C@H]1CCN(c2cnc(C#N)cn2)C1 1100961262 GDGMNAZXXIEKDG-SNVBAGLBSA-N 323.378 -0.665 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)CN(C)C(C)=O)c3nccn32)C1 1101610834 XWKDKMUMHZXVKF-ZDUSSCGKSA-N 315.377 -0.434 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1CNC(=O)c1cnn(C)c1 1101708564 OCLLLVKTRGGDLU-VXGBXAGGSA-N 318.381 -0.642 30 20 DBED CN(CCNc1nccnc1C#N)C(=O)CC1CS(=O)(=O)C1 1101836262 SIIXNKDOTJUMKL-UHFFFAOYSA-N 323.378 -0.347 30 20 DBED C[C@H](CNC(=O)[C@H]1COCCN1C)CNc1cnc(C#N)cn1 1103922593 GJNKIYQJGBFCHA-WCQYABFASA-N 318.381 -0.157 30 20 DBED CC(=O)N1CC(C(=O)NC[C@@H](C)CNc2cncc(C#N)n2)C1 1103941184 HWYQXDBOKAEDPV-JTQLQIEISA-N 316.365 -0.009 30 20 DBED CN(CCN(C)c1cnc(C#N)cn1)C(=O)c1cc(=O)n(C)o1 1105381798 OZGCFUBWXMZERC-UHFFFAOYSA-N 316.321 -0.152 30 20 DBED C[C@H](CC(N)=O)C(=O)N(C)CCN(C)c1ccnc(C#N)n1 1105521639 PBYGQFOOTPYGQS-SNVBAGLBSA-N 304.354 -0.246 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)[C@H]2CCCOC2)nn1 1105741211 BBFRMWOTYVTJPO-CMPLNLGQSA-N 305.338 -0.336 30 20 DBED CO[C@H](C)CC(=O)NC[C@H](O)CN=c1cc(C)[nH]cc1C#N 1105783166 WDAQLTFDODYVES-DGCLKSJQSA-N 306.366 -0.002 30 20 DBED CO[C@@H](C(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1)C1CC1 1105834022 VCYPEBJQCVIOEG-GXFFZTMASA-N 305.338 -0.916 30 20 DBED C=CCn1cc(C(=O)NC[C@H](O)CNc2cc(F)ncn2)nn1 1106132105 SICMAVPNPDIDPD-SECBINFHSA-N 321.316 -0.404 30 20 DBED CNC(=O)NCC(=O)N[C@H](C)CCN=c1cc[nH]cc1C#N 1106615323 AUKFQSCKWXUDNB-SNVBAGLBSA-N 304.354 -0.389 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)[C@]2(C)CCOC2)C[C@H]1C 1106800776 KECSHBQODMSPDI-CKEIUWERSA-N 321.421 -0.154 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)N2)C[C@H]1C 1106991478 CQHKQUFVUJHJQJ-UPJWGTAASA-N 313.423 -0.615 30 20 DBED C=CCO[C@H](C)C(=O)N1C[C@@H](C)[C@H](CNCC(=O)NCC#N)C1 1107062740 RFYUMLHIYOKHSR-MGPQQGTHSA-N 322.409 -0.099 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC(n2cc(CNC(C)=O)nn2)C1 1107105411 JNFSRUWYJCWMKA-SNVBAGLBSA-N 306.370 -0.538 30 20 DBED CN1CCOC[C@@H]1C(=O)NC/C=C\CN=c1cc[nH]cc1C#N 1107162305 QTERYRMJPGKVOD-MPNWYJEXSA-N 315.377 -0.210 30 20 DBED Cc1cc(=NC/C=C/CNC(=O)[C@@H]2CNC(=O)N2)c(C#N)c[nH]1 1107492559 NHVFNTKTESZEHV-IBUXWKBASA-N 314.349 -0.551 30 20 DBED C#CCNC(=O)CN1CCO[C@](C)(CNC(=O)C(C)(F)F)C1 1107685075 FGGSZDKWMBAWRE-CYBMUJFWSA-N 317.336 -0.402 30 20 DBED CCNC(=O)CN1CCO[C@@](C)(CNC(=O)C#CC2CC2)C1 1107932186 HMIMKGCDBNVMMO-INIZCTEOSA-N 307.394 -0.257 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)c2nnn(C(C)(C)C)n2)C1 1107956764 PLBFOOBTFQCJNY-HNNXBMFYSA-N 320.397 -0.118 30 20 DBED C=CCCN1CCO[C@@](C)(CNC(=O)C[C@H]2CC(=O)NC2=O)C1 1108446625 FBWGPMICAWKPHJ-LRDDRELGSA-N 323.393 -0.178 30 20 DBED CC(C)C#CC(=O)N1CCN(CCF)[C@H]2CS(=O)(=O)C[C@H]21 1108474623 UNVFKIWXISUAGD-QWHCGFSZSA-N 316.398 -0.075 30 20 DBED C#CCCN1CC(N2C[C@H](NC(=O)COC(C)C)CC2=O)C1 1108520447 UHQDXPBHPFNXJX-CYBMUJFWSA-N 307.394 -0.164 30 20 DBED C#CCCCCC(=O)N[C@@H]1CC(=O)N(C2CN(CC(N)=O)C2)C1 1108536898 KFKCWBCLWGJALZ-GFCCVEGCSA-N 320.393 -0.933 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)[C@H]1CCC(=O)N1C 1108662752 MHAVGNGSHSWIAV-VHSXEESVSA-N 302.338 -0.692 30 20 DBED C[C@@H](CN(C)c1cncc(C#N)n1)NC(=O)[C@H]1CCNC(=O)C1 1108894049 ADELYDJDXSAVLE-QWRGUYRKSA-N 316.365 -0.185 30 20 DBED C[C@@H](CN(C)c1ccc(C#N)nn1)NC(=O)c1cnn(C)c1N 1108932815 FZLRNXBCFITKBD-VIFPVBQESA-N 314.353 -0.081 30 20 DBED N#Cc1cnc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)CCn2ccnn2)cn1 1109697474 JNIHLSYYVIMQTO-IFUGULHKSA-N 324.348 -0.277 30 20 DBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)COC 1110223187 DGRMULWPOKNSQS-UTUOFQBUSA-N 324.381 -0.634 30 20 DBED C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1nnn(C)n1 1110391570 ULNSFQDKYQLWIL-UTUOFQBUSA-N 306.370 -0.366 30 20 DBED CSCC(=O)NC[C@@]1(O)CCN(c2cncc(C#N)n2)C1 1111032081 RWHSLKZFRYWCFE-ZDUSSCGKSA-N 307.379 -0.231 30 20 DBED CNC(=O)CC(=O)N1CC[C@H]([C@@H](C)N=c2cc[nH]c(C#N)n2)C1 1111212480 AHZBFILXLHCSIX-MNOVXSKESA-N 316.365 -0.445 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H]1COCCN1c1cnc(F)cn1 1111699932 FMPVUXMQTNOLFG-VXGBXAGGSA-N 322.340 -0.025 30 20 DBED Cc1ccc(C#N)c(NCC2(NC(=O)C(N)=O)CCOCC2)n1 1112262927 MCOXSGCZSDCEPQ-UHFFFAOYSA-N 317.349 -0.176 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)C[C@@](C)(O)C2CC2)CC1 1112770043 ANOWJDPIIXJFMZ-SUMWQHHRSA-N 321.421 -0.180 30 20 DBED C#CCNC(=O)CC(=O)N1CCN(Cc2nccn2CC)CC1 1112774158 JGAPDGQNOVYVQL-UHFFFAOYSA-N 317.393 -0.313 30 20 DBED C#CCC1(C(=O)N2CCN([C@H]3CCNC3=O)CC2)CCOCC1 1112948035 WRSCVTABVJRFBA-AWEZNQCLSA-N 319.405 -0.161 30 20 DBED N#CCNC(=O)CN1C[C@H]2C(NC(=O)[C@@H]3CCCOCC3)[C@@H]2C1 1114189759 VYMGZEFGWSADFV-JHJVBQTASA-N 320.393 -0.511 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)CC3(O)CCC3)[C@@H]2C1 1114239991 PJYIDZKLELTTRW-VXGBXAGGSA-N 305.378 -0.913 30 20 DBED CC#CCN1C[C@@H]2C(NC(=O)CNC(=O)c3ccncc3)[C@H]2C1 1114314808 VTILORPSCAWRNV-KBPBESRZSA-N 312.373 -0.119 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1[C@@H]2CN(c3ccc4nnnn4n3)C[C@H]12 1114525244 JAAHXHJHISSKLF-XWLWVQCSSA-N 312.337 -0.523 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)[C@@]3(C)CNC(=O)C3)[C@H]2C1 1114601884 GOJILBZBMDLUHU-TWJWRFFLSA-N 305.378 -0.791 30 20 DBED COCC#CCN1C[C@@H]2C(NC(=O)c3coc(C(N)=O)c3)[C@H]2C1 1114613998 VTUOFOCXLKXPEP-RYUDHWBXSA-N 317.345 -0.312 30 20 DBED N#CCNC(=O)CN1C[C@H]2C(NC(=O)[C@@H]3C[C@@H]4C[C@@H]4C3)[C@@H]2C1 1114721360 NRPIPAMMJOGDLC-KSSYENDESA-N 302.378 -0.281 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)CN3CCC[C@@H]3C)[C@@H]2C1 1114831627 DPBBJERHQNAZKU-BFHYXJOUSA-N 318.421 -0.734 30 20 DBED C[C@H]1CCCN1CC(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1114831995 JOKUIEYLSXPXDC-BCUIYNNISA-N 319.409 -0.843 30 20 DBED C=C(Cl)CN1C[C@H]2C(NC(=O)CS(=O)(=O)N(C)C)[C@@H]2C1 1115184373 KQHVFYOTNKVZFH-NXEZZACHSA-N 321.830 -0.323 30 20 DBED C[C@H](CN(C)C(=O)CS(C)(=O)=O)N=c1cc[nH]c(C#N)n1 1115632041 GCCHSHIORMBMHK-SECBINFHSA-N 311.367 -0.926 30 20 DBED N#CC1(NC(=O)Cn2nc3n(c2=O)CCCCC3)CCOCC1 1116074046 KUKKRCLUMVOXCW-UHFFFAOYSA-N 319.365 -0.040 30 20 DBED COC[C@H](NC(=O)C(=O)Nc1cnn(CC#N)c1)[C@H]1CCCO1 1116857944 ZOMNQAFFJDHDMW-NWDGAFQWSA-N 321.337 -0.345 30 20 DBED C[C@@H]1COCCN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1 1120463608 NJFHVSILAZJKJA-GXTWGEPZSA-N 320.393 -0.320 30 20 DBED C[C@H](CN(C)C(=O)C1(C(N)=O)CC1)Nc1nccnc1C#N 1120555555 UBOXOJVHZNZVJI-SECBINFHSA-N 302.338 -0.127 30 20 DBED C[C@@H](C#N)C(=O)NC1CC2(CC(NCc3nc(=O)n(C)[nH]3)C2)C1 1120834456 HNCLXUZVUDBHJA-YMPWGHJTSA-N 318.381 -0.215 30 20 DBED CC(=O)CCCC(=O)NC[C@H](CO)Nc1cncc(C#N)n1 1121051408 ZAHPDAJBXFEJGD-GFCCVEGCSA-N 305.338 -0.003 30 20 DBED CCc1cc(C(=O)NC[C@@H](CO)Nc2cnc(C#N)cn2)n[nH]1 1121135195 AKOQBJKBVMTTKC-NSHDSACASA-N 315.337 -0.163 30 20 DBED Cc1cnc(C(=O)NC[C@H](CO)Nc2nccnc2C#N)cn1 1121149892 CVRZAZVFBNFRGL-SNVBAGLBSA-N 313.321 -0.351 30 20 DBED CCc1nc(C#N)cc(N[C@H](CO)CNC(=O)[C@H](C)OC)n1 1121159314 SQVUTBXXMCANPY-ONGXEEELSA-N 307.354 -0.165 30 20 DBED C=CCCO[C@@H](C)C(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1 1121172869 VECHGKKSTHZWOZ-NWDGAFQWSA-N 319.365 -0.360 30 20 DBED C[C@@](O)(CC(=O)NC[C@H](CO)Nc1cncc(C#N)n1)C1CC1 1121340423 XEMYDYZAUSVTND-IUODEOHRSA-N 319.365 -0.212 30 20 DBED N#Cc1nccnc1N[C@H](CO)CNC(=O)c1cnnc(O)c1 1122158090 HBVXDABHDJVJRC-VIFPVBQESA-N 315.293 -0.953 30 20 DBED CN(C)CC1(C(=O)NC[C@@H](CO)Nc2cnc(C#N)cn2)CC1 1122508135 JHSRMQIMFDSQIB-LBPRGKRZSA-N 318.381 -0.421 30 20 DBED CC(=O)N(C)CC(=O)N(C)C[C@@H](O)CNc1ccc(C#N)nc1 1124112616 YGAIQCVUTGXRAQ-AWEZNQCLSA-N 319.365 -0.337 30 20 DBED CN(C[C@H](O)CNc1cnc(C#N)cn1)C(=O)Cc1ccon1 1124199964 IWELFHIGVIQUHO-GFCCVEGCSA-N 316.321 -0.190 30 20 DBED CN1CC[C@@H](C(=O)N(C)C[C@@H](O)CNc2ccc(C#N)nn2)C1 1124351733 DQDDTSLPNHJDQD-YPMHNXCESA-N 318.381 -0.469 30 20 DBED CN(C[C@@H](O)CNc1snc(Cl)c1C#N)C(=O)C(N)=O 1124703954 JVZLECJEBDDWOO-YFKPBYRVSA-N 317.758 -0.615 30 20 DBED C=CCCC(=O)N(C)C[C@@H](O)CN(C)c1ccc2nnnn2n1 1124963459 OETUMYJEZXOJMN-NSHDSACASA-N 319.369 -0.259 30 20 DBED C#CCNC(=O)CC(=O)NCCNCc1cn(C(C)C)nn1 1125978182 NOAAGZDYVSLFHV-UHFFFAOYSA-N 306.370 -0.796 30 20 DBED C#CCO[C@@H](C)C(=O)NCCNCC1(CS(C)(=O)=O)CC1 1127046247 OROWALBGMGDSST-LBPRGKRZSA-N 316.423 -0.445 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)c2cn3c(n2)CCC3)C1=O 1127639334 XMFOTASQWNZFCV-LBPRGKRZSA-N 317.393 -0.064 30 20 DBED COCC#CCNCCNC(=O)[C@H]1CCCN(C(=O)C2CC2)C1 1128019580 RFKZLEDNODSDER-HNNXBMFYSA-N 321.421 -0.009 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)c1ccnc2ccnn12 1129263282 XGDVGCVYWODFKJ-NSHDSACASA-N 316.365 -0.261 30 20 DBED CC#CCN[C@@H]1CN(C(=O)[C@H](C)CC(N)=O)C[C@@H]1n1ccnn1 1129957034 SPBNJNCLQSNXMS-UPJWGTAASA-N 318.381 -0.846 30 20 DBED CC(C)C[C@@H](C(=O)NCCNCC(=O)NCC#N)n1ccnc1 1130001396 NFHDZSLXMGDCJH-ZDUSSCGKSA-N 320.397 -0.184 30 20 DBED C#CCNC(=O)CNCCNC(=O)C[C@H]1CC[C@H](C2CC2)O1 1131585191 HZKLQPQDKXRFKB-ZIAGYGMSSA-N 307.394 -0.211 30 20 DBED CCNC(=O)CC(=O)N[C@@H]1CC[C@H](C)N(CC(=O)NCC#N)C1 1131980575 PDJOEMCYLVJEKC-NWDGAFQWSA-N 323.397 -0.879 30 20 DBED C=CCNC(=O)CN1C[C@H](NC(=O)c2nnn(C)n2)CC[C@@H]1C 1132224589 OQLQXFKEOVCMGT-WDEREUQCSA-N 321.385 -0.905 30 20 DBED C=C(C)CN(CC)C(=O)[C@@H](C)NCCNC(=O)c1nnn(C)n1 1132531597 JHWGLIOVFDLVGC-LLVKDONJSA-N 323.401 -0.657 30 20 DBED C#CCNC[C@H]1CN(C(=O)Cn2ccc(O)nc2=O)CC[C@@H]1C 1132959611 NNKPMRHFHWJEJH-STQMWFEESA-N 318.377 -0.344 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)c1nccnc1N 1133954436 QJKMJSZYIMPVIM-GHMZBOCLSA-N 318.381 -0.705 30 20 DBED CNC(=O)NCCC(=O)N[C@@H](C)C[C@@H](C)NCC#CCOC 1134269211 FJQWLUHDMLKUJX-OLZOCXBDSA-N 312.414 -0.172 30 20 DBED N#Cc1ccc(F)cc1CNCCNC(=O)CCn1cnnn1 1135677522 MSAUZCMIQXJUEE-UHFFFAOYSA-N 317.328 -0.020 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC2(CN(C(=O)[C@H](O)C(C)C)C2)C1 1147476691 ZVYXKHQTOKPDCB-UONOGXRCSA-N 321.421 -0.325 30 20 DBED C=CCN(CC=C)C(=O)CN1CCC2(C1)CN(C(=O)C(N)=O)C2 1148181938 XNYUUJSLHGOGTJ-UHFFFAOYSA-N 320.393 -0.793 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)COc1ccccc1 1148863326 QUJUFUIZYCFWAH-CYBMUJFWSA-N 303.362 -0.091 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cc(OC)cc(OC)c1 1148945023 RORHAWQBZDMWRP-UHFFFAOYSA-N 319.361 -0.227 30 20 DBED C=C(C)CN1CCCO[C@@H](CNC(=O)Cn2ncn(C)c2=O)C1 1149922063 VKVWWMOYLWDJFP-ZDUSSCGKSA-N 323.397 -0.635 30 20 DBED C=CCN1CCCO[C@@H](CNC(=O)CN2C(=O)CCC2=O)C1 1150684847 BPUMEOCWONTUNJ-LBPRGKRZSA-N 309.366 -0.472 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)[C@H]1CCN(C)C1 1151049804 ZIQOAIASXXFGJM-ZDUSSCGKSA-N 309.414 -0.594 30 20 DBED C=CCNC(=O)NC(=O)CNCCCNC(=O)c1cnccn1 1154264829 UTXUUWQUHNDIFU-UHFFFAOYSA-N 320.353 -0.802 30 20 DBED O=C(Cn1cnnn1)NCCCNCC#Cc1ccc(F)cc1 1154502671 KDZBSACFPPKILC-UHFFFAOYSA-N 316.340 -0.040 30 20 DBED CCCn1nnnc1CNCCCNC(=O)CSCC#N 1154815147 XBCDYAYGZFBNQB-UHFFFAOYSA-N 311.415 -0.064 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1ccc(N(C)C)nc1 1161649358 DPAFFSFQCWFYMX-UHFFFAOYSA-N 317.393 -0.394 30 20 DBED C#Cc1ccc(C(=O)NCCCNCCNS(C)(=O)=O)cc1 1163728604 AZRYSZWXEPYVLH-UHFFFAOYSA-N 323.418 -0.073 30 20 DBED C#CCNC(=O)CNCCCC[C@H](C)NC(=O)[C@@H]1CCN(C)C1 1176563952 IMIPBZWQQUQPCZ-LSDHHAIUSA-N 322.453 -0.048 30 20 DBED COCC#CCNCCCNC(=O)CCS(=O)(=O)N(C)C 1176817734 LPUNMIPDFAYVAL-UHFFFAOYSA-N 319.427 -0.986 30 20 DBED C#CCN1CCC(C(=O)NCCCNCC(=O)NC(C)C)CC1 1176926967 ZSOHOZKKCUYUMX-UHFFFAOYSA-N 322.453 -0.048 30 20 DBED C=CCNC(=O)CNCCCCCCNC(=O)[C@@H]1CCC(=O)N1 1180103567 APTKNNHTFJBWTL-ZDUSSCGKSA-N 324.425 -0.167 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)[C@@H]2CN(C(C)C)CCO2)C1 1185136971 NSMHTPNMTOPPGB-CVEARBPZSA-N 323.437 -0.064 30 20 DBED C[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)CC[C@@H]1CNCC#N 1185641763 RAGDZPOPPQTHTP-GHMZBOCLSA-N 307.354 -0.864 30 20 DBED N#CCN[C@@H]1CCO[C@@H](C2CCN(C(=O)CNC(N)=O)CC2)C1 1186053608 XHHYUKNZKBAWSF-CHWSQXEVSA-N 323.397 -0.446 30 20 DBED CCN(CCC#N)C(=O)CN(C)[C@@H]1CCN(C(=O)COC)C1 1188528671 OCFBJRNDOIGUMO-CYBMUJFWSA-N 310.398 -0.072 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3nocc3C)[C@@H]2C1 1189652198 CYLGVUMNJCPWBA-QWHCGFSZSA-N 316.361 -0.121 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)C[C@@H]2COC(=O)C2)C1 1189654182 YWYMDRWEFOGBBW-QWHCGFSZSA-N 323.393 -0.226 30 20 DBED C=CCNC(=O)CN1C[C@@H]2CCN(C(=O)CN3CCCC3)[C@@H]2C1 1190169285 XVWBHWGRCCNSIS-LSDHHAIUSA-N 320.437 -0.083 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)[C@H](C)n2cccc2)C1 1192241612 VYZLWTNJVWCUGH-RRFJBIMHSA-N 305.378 -0.140 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)Cc2ccoc2)C1 1192429899 SKIFHYCJWNUMRH-MRVWCRGKSA-N 319.361 -0.879 30 20 DBED O=C(C#CC1CC1)N1CCCO[C@@H](CNCCn2cncn2)C1 1200452610 KBKPUZYODZMCKT-HNNXBMFYSA-N 317.393 -0.101 30 20 DBED C#CCNC[C@@H]1CN(C(=O)[C@H]2CN(C(C)C)CCO2)CCCO1 1201245242 DXINPAOSGRYTLM-HZPDHXFCSA-N 323.437 -0.064 30 20 DBED C=CCn1cc(C(=O)N2CCC(NCC(=O)NCC)CC2)nn1 1202827046 RDLVTLXTNJIVTA-UHFFFAOYSA-N 320.397 -0.206 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)c2nccc(C)n2)C1 1207928281 NTUTUIPYWXQCGZ-CYBMUJFWSA-N 315.377 -0.271 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H](NCCOCCO)C1 1208352466 GDUNINGBLKTJTC-CVEARBPZSA-N 323.437 -0.327 30 20 DBED C=CCCN[C@@H]1CN(C(=O)CCNS(C)(=O)=O)C[C@H]1C 1214763781 HVQGQDXSNYGICE-VXGBXAGGSA-N 303.428 -0.062 30 20 DBED CCN(C)CCC(=O)N1CCO[C@@H]2CN(CC#CCOC)C[C@@H]21 1218919619 WBYCFEAJNADIQL-JKSUJKDBSA-N 323.437 -0.110 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)C2CCCC2)C1 1219089413 FCVAAGULMIGUJP-YUTCNCBUSA-N 307.394 -0.524 30 20 DBED C=CCCC(=O)N[C@@H]1CN(C[C@H]2CCc3ncnn32)C[C@@H]1O 1219344426 JUQPIXMTKKVFIN-UPJWGTAASA-N 305.382 -0.107 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)CCOC[C@@H]2CCCO2)C1 1219932821 YSCQPFNTWGGJPX-ZNMIVQPWSA-N 310.394 -0.243 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](NC(=O)CCn2ncn(C)c2=O)C1 1220066719 VHFPIYSPQMQMMU-OLZOCXBDSA-N 323.397 -0.901 30 20 DBED C=CCCC1(C(=O)N[C@@H]2CN(Cc3nnnn3C)C[C@@H]2O)CC1 1220280485 KTVGOGWABYGLSE-NEPJUHHUSA-N 320.397 -0.382 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CN(CCC[C@H](C)O)C[C@@H]2O)nn1 1220504782 RORYSATURJZBSZ-SCRDCRAPSA-N 323.397 -0.600 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CCCN(C(=O)CCCC(N)=O)C1 1222117704 OUSJGJCRDPGFTN-QWHCGFSZSA-N 324.425 -0.087 30 20 DBED C=C[C@@](C)(O)CC(=O)NC1CCN(C[C@H](O)COC)CC1 1227124332 RAEHATROMVMJAQ-DZGCQCFKSA-N 300.399 -0.099 30 20 DBED C=CCOCC(=O)NCC[C@H]1CN(CC#N)CCS1(=O)=O 1230435368 DWHVXEYMCHIMQN-LBPRGKRZSA-N 315.395 -0.682 30 20 DBED CC#CCN1CC[C@@H]1CN(C)C(=O)CCS(=O)(=O)NC 1234284963 DXOHVVBPUFIYQW-GFCCVEGCSA-N 301.412 -0.518 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(C#N)CC2)C1=O 1251664230 KXTSDWLPQLKJRM-UHFFFAOYSA-N 304.306 -0.275 30 20 DBED C=CCOCCN[C@H]1CCN(C(=O)[C@H](C)NS(C)(=O)=O)C1 1265447954 FCXCGRAMAWWFFL-RYUDHWBXSA-N 319.427 -0.683 30 20 DBED C#CCNC(=O)CN(CCNC(=O)[C@H]1CCCN1C)C1CC1 1267323225 VFAVSMGSVKPAAK-CQSZACIVSA-N 306.410 -0.589 30 20 DBED C[C@H](NC(=O)C(=O)Nc1cnn(CC#N)c1)[C@@H]1CN(C)CCO1 1319439783 TVSDMOISTGZBMO-JQWIXIFHSA-N 320.353 -0.820 30 20 DBED Cn1c(N2CCOCC2)nn(CN2CCO[C@@H](C#N)C2)c1=S 1321606676 OPRXUTVSTTXMAL-NSHDSACASA-N 324.410 -0.030 30 20 DBED N#CCN1CCC(NC(=O)C(=O)N(CCO)CC(F)F)CC1 1322824317 SHRPQKDXQLDLBS-UHFFFAOYSA-N 318.324 -0.823 30 20 DBED CO[C@@H](CNC(=O)C(=O)N1CCO[C@@H](C#N)C1)C(F)(F)F 1323044002 NDJPFHPWRDQSTP-YUMQZZPRSA-N 309.244 -0.569 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N(C)[C@@H](C)C1CC1 1325596587 UVXFFOIRJQIEIB-JTQLQIEISA-N 302.396 -0.040 30 20 DBED CCNC(=O)CN1CCCN(C(=O)[C@@H](N)CCCC#N)CC1 1325761705 AFTAQGMVUIERGZ-ZDUSSCGKSA-N 309.414 -0.322 30 20 DBED C=C(C)COCCNC(=O)C(=O)NCc1nn(CC)nc1C 1325939155 DKKPVHLZAMNBAM-UHFFFAOYSA-N 309.370 -0.068 30 20 DBED O=C1C=CC=N/C1=C(\O)NCCNC(=O)C1(C(=O)O)CCC1 1326421276 JSBRYRNMOBIJLK-KHPPLWFESA-N 307.306 -0.116 30 20 DBED N#Cc1ncn(CC(=O)NCc2ccc(C(=O)NO)cc2)n1 1327090978 LUWMROYLTWZVNV-UHFFFAOYSA-N 300.278 -0.415 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N[C@H]1CCN(CC)C1=O 1330277538 KKHYFRYGPFZFRF-NEPJUHHUSA-N 309.366 -0.732 30 20 DBED C#CCNC(=O)C1CCN(C(=O)NCCN2CCNC2=O)CC1 1330980952 GBJVWHSGEQYNTC-UHFFFAOYSA-N 321.381 -0.817 30 20 DBED N#CCCn1ccc(NC(=O)C(=O)N2CCC[C@@H](CO)C2)n1 1331840893 MZHONNUJLSCCFY-LLVKDONJSA-N 305.338 -0.034 30 20 DBED COCCCOCCN(C)C(=O)C(=O)Nc1cnn(CC#N)c1 1337196045 BKODLNRQGLMXAG-UHFFFAOYSA-N 323.353 -0.143 30 20 DBED C#C[C@H](CCC)NC(=O)C(=O)Nc1cc(C)n(CC(=O)NC)n1 1338967780 UDOORRLJFTVRAC-LLVKDONJSA-N 319.365 -0.206 30 20 DBED C=CCn1c([C@H]2CCCN2C)nnc1N1CCO[C@@H](C(N)=O)C1 1339774349 LGSVJNYNFMORPJ-VXGBXAGGSA-N 320.397 -0.079 30 20 DBED C#CCN1CCN(c2nnc([C@@]3(O)CCOC3)n2CC)CC1 1340876296 RGZNJVNPFBDHAC-OAHLLOKOSA-N 305.382 -0.339 30 20 DBED C#C[C@@H]1COCCN1C(=O)NC[C@@H]1CC2(CCNCC2)C(=O)O1 1353477098 SSQPNTFRONOODO-OLZOCXBDSA-N 321.377 -0.285 30 20 DBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)Cc1nc[nH]n1 1362469859 VGAILNRTLSMRRF-SNVBAGLBSA-N 312.337 -0.254 30 20 DBED N#CC[C@]1(O)CCN(C(=O)NC[C@@H]2CCCS(=O)(=O)C2)C1 1364670207 VACYHROODAWMQO-AAEUAGOBSA-N 315.395 -0.129 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1ccc2[nH]ccc2n1 1376653351 KSESTYKVKRKSJQ-ZJUUUORDSA-N 315.333 -0.071 30 20 DBED COCC(=O)NCCC(=O)N1CC[C@@H](N(C)C(=O)[C@H](C)C#N)C1 1385260552 MAFTUTIXYVKSDZ-VXGBXAGGSA-N 324.381 -0.642 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)C[C@H]2CCC(=O)NC2)C1 1385938802 DPJLNMCVGHJJJS-USZNOCQGSA-N 306.366 -0.174 30 20 DBED CCn1nc(C(=O)NC2(CNC(=O)[C@@H](C)C#N)CC2)ccc1=O 1389955357 JISSEUNAKOKWPO-JTQLQIEISA-N 317.349 -0.199 30 20 DBED COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1 1401530697 JEQBSMCGWBLGEZ-WDEREUQCSA-N 320.353 -0.396 30 20 DBED CCO[C@@H](CC)C(=O)NC[C@@H](O)CNC(=O)c1cc(C#N)c[nH]1 1410090548 FIXCENIINFHEDF-AAEUAGOBSA-N 322.365 -0.092 30 20 DBED N#C[C@H]1COCCN1C(=O)CCc1nc(-c2nc[nH]n2)no1 1411794785 KPVYIQZILROHSD-QMMMGPOBSA-N 303.282 -0.462 30 20 DBED CNC(=O)NC1CCN(C(=O)[C@@H](C)n2cnc(C#N)n2)CC1 1412231754 CDNVRQFYMJVLTQ-SECBINFHSA-N 305.342 -0.369 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CCNC(=O)C2)C1 1414186827 ZJUMXBFEBCUQMH-NNYUYHANSA-N 306.366 -0.317 30 20 DBED CCN(CCNC(=O)[C@@H](C)C#N)C(=O)c1ccc(=O)n(C)n1 1431689932 ZXWHIOBXSQYAKK-JTQLQIEISA-N 305.338 -0.482 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)c2ccc(=O)n(C)n2)CC1 1434005296 PRATYNPYMMSEMP-VIFPVBQESA-N 303.322 -0.681 30 20 DBED N#Cc1ccccc1OCC(=O)NC[C@H](O)Cn1ccnn1 1434057032 ZVTDQFDIBKBFAA-LBPRGKRZSA-N 301.306 -0.294 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)c2cc(C#N)c[nH]2)C1 1434336876 NJSYNCNKQFUNHY-ZUZCIYMTSA-N 315.333 -0.261 30 20 DBED CC(=O)N(C)CC(=O)N1CCC(CNC(=O)[C@H](C)C#N)CC1 1453792468 RYKWCNZAMANGFH-LLVKDONJSA-N 308.382 -0.021 30 20 DBED C=CCN1CC[C@H](N2CCC[C@H](NC(=O)CNC(=O)O)C2)C1=O 1573368881 SKYQXCQQDPIHKQ-RYUDHWBXSA-N 324.381 -0.379 30 20 DBED C#CCCN1CCN(C(=O)[C@@H]2CCCN(CCN)C2=O)CC1 1574583626 JSENJGXDYLXILX-CQSZACIVSA-N 306.410 -0.649 30 20 DBED C=CCN(C)c1nnc([C@@H]2COCCN2)n1Cc1nncn1C 1574925046 GHZBHSDXBGKMAS-NSHDSACASA-N 318.385 -0.262 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H](C)CCNCCc1cnn[nH]1 1574985543 GAUNKUZNRRUWGW-ZFWWWQNUSA-N 318.425 -0.071 30 20 DBED CC#CCNC[C@H](O)CN(C)C(=O)[C@@H](C)OCc1cnn[nH]1 1575123874 XRFSSHUMEUKCTP-YPMHNXCESA-N 309.370 -0.858 30 20 DBED Cc1cc(-c2nn[nH]n2)nc(NCCN(C)C(=O)[C@@H](C)C#N)n1 1580741064 GVBSBOZUKIGPNO-QMMMGPOBSA-N 315.341 -0.005 30 20 DBED C#CCNC[C@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCO1 1588353664 AHKHTMICMNZPBQ-JTQLQIEISA-N 315.337 -0.741 30 20 DBED C=CCNC[C@@H](O)CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 1588662814 BCUDDOQLCWQPIU-SECBINFHSA-N 305.342 -0.597 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@H]1C[C@@H](N=c2cc[nH]c(C(=O)O)n2)C1 1588684379 PMZHBOAMIKUSOK-WMFXKJRFSA-N 320.349 -0.017 30 20 DBED N#Cc1cccc(N2CCN(CC(=O)NCC(=O)O)CC2)n1 1594628284 HZLPXGLOZIWQBJ-UHFFFAOYSA-N 303.322 -0.724 30 20 DBED N#CCN(CCC(=O)O)C(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O 1601069721 FUYHHTHQZKYVAS-QWRGUYRKSA-N 321.333 -0.012 30 20 DBED N#Cc1ccc(OC[C@@H](O)Cn2nnc(CC(=O)O)n2)cc1 1601110402 WROFGHHZQWUWEM-JTQLQIEISA-N 303.278 -0.388 30 20 DBED C#C[C@H](NC(=O)C(=O)Nc1cc(C(=O)O)n(C)c1)[C@@H]1CCCO1 1602671380 SBQFNAZYVMNHJD-JQWIXIFHSA-N 319.317 -0.041 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(C)C[C@H](C)C(=O)O)C1=O 1602722739 LGFMAFMCYWXUJX-QMMMGPOBSA-N 311.294 -0.858 30 20 DBED COCCOCCCNc1cnc(C#N)c(-c2nn[nH]n2)n1 1605110589 PPOVPAOFXYPHON-UHFFFAOYSA-N 304.314 -0.007 30 20 DBED O=C(O)CC[C@@H]1C[C@H](C(=O)N[C@@H]2CCCN(O)C2=O)CO1 1606107439 KRXXPQZFDHPLFM-IVZWLZJFSA-N 300.311 -0.247 30 20 DBED C=CC[C@@H](CO)NC(=O)C(=O)Nc1cnn(CC(=O)O)c1C 1609290362 DGEMUEGSVLNAGK-VIFPVBQESA-N 310.310 -0.732 30 20 DBED N#C[C@@H]1CNC[C@H]1NC(=O)CS[C@@H]1CCS(=O)(=O)C1 1645883558 SDACBAYJIRIKFK-OPRDCNLKSA-N 303.409 -0.866 30 20 DBED COC(=O)C1(C#N)CCN(C(=O)NC[C@H]2COCCN2)CC1 1646039109 PFTMUFRQOGJGCD-NSHDSACASA-N 310.354 -0.537 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@H](NC[C@H](O)COC)C1 1690666518 REBGZRJDXUOZRY-KKUMJFAQSA-N 309.410 -0.718 30 20 DBED CN(C)S(=O)(=O)CC(=O)N1CCCC[C@H]1CNCC#N 1731552933 GQJVHGQKWOSFQB-NSHDSACASA-N 302.400 -0.628 30 20 DBED C#CCOCCC(=O)N1CC[C@H](NC(=O)Cn2cncn2)[C@H]1C 1735306238 SJNIRJKLZHVKIY-OLZOCXBDSA-N 319.365 -0.576 30 20 DBED C=CCNC(=O)[C@@H](C)N(C)CCCNC(=O)[C@@H]1CCC(=O)NC1 1752007342 CZJWZEZIKDHISI-CHWSQXEVSA-N 324.425 -0.359 30 20 DBED C=C1CC(C)(C(=O)NCCN2CCN([C@H](C)C(N)=O)CC2)C1 1752373441 SVMVQOLPRCGUHK-CYBMUJFWSA-N 308.426 -0.050 30 20 DBED CN1CCC[C@H]1C(=O)N1[C@H]2CC[C@H]1CN(CC(=O)NCC#N)C2 1752531476 GVIUZZAWVHSVPP-IHRRRGAJSA-N 319.409 -0.604 30 20 DBED C#CCNC(=O)CN1CCC[C@@H](CNC(=O)Cc2cnoc2)C1 1752786322 PSIOARXHRBDTMJ-ZDUSSCGKSA-N 318.377 -0.205 30 20 DBED CCc1cc(C(=O)N2CC[C@H](CNCC(=O)NCC#N)C2)no1 1752958981 ODYXWXNJIUYIKB-LLVKDONJSA-N 319.365 -0.072 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@@H](CNC(=O)Cc2cnoc2)C1 1753133564 XXPOJIHETVJKHB-OLZOCXBDSA-N 318.377 -0.207 30 20 DBED C[C@H](NCC(=O)NCC#N)C1CCN(C(=O)[C@H]2CCOC2)CC1 1753271954 ZMLFUEXMZWBEED-JSGCOSHPSA-N 322.409 -0.121 30 20 DBED C[C@H](C(=O)NC(N)=O)N(C)C[C@H]1CCN(C(=O)C#CC2CC2)C1 1753348008 MJFRUKANRUAKOR-DGCLKSJQSA-N 320.393 -0.237 30 20 DBED C=C[C@@](C)(O)CC(=O)N1C[C@@H]2C[C@H]1CN2Cc1nnnn1C 1753419495 BEHLQFYRGDMTLC-COPLHBTASA-N 306.370 -0.678 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN([C@H]2CCN(C)C2=O)CCO1 1753650755 YZSSKXWINQITJH-KGLIPLIRSA-N 307.394 -0.162 30 20 DBED CC#CCNC[C@H]1[C@@H](C)CCCN1C(=O)CS(=O)(=O)NC 1753811833 AZBSGBKBHCEJBJ-STQMWFEESA-N 315.439 -0.224 30 20 DBED C#CCCNC[C@H](O)CNC(=O)C(=O)Nc1ccc(OC)cc1 1753918374 NKADDGOTNQMROX-ZDUSSCGKSA-N 319.361 -0.276 30 20 DBED C[C@H](CN(C)CC(=O)NCC#N)NC(=O)C(C)(C)N1CCCC1 1754319554 OTJJOMBBRVIDAT-CYBMUJFWSA-N 323.441 -0.063 30 20 DBED C#CCCNC[C@@]1(C)CCN(C(=O)CN2C(=O)CNC2=O)C1 1754712961 QNSZJCGAJKUZIL-OAHLLOKOSA-N 306.366 -0.610 30 20 DBED COCC#CCN[C@H](C)[C@H]1CN(C(=O)C2=COCCO2)CCO1 1755438841 LPTKBYGSQHBJJJ-ZIAGYGMSSA-N 324.377 -0.270 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H](CO)CNC(=O)c1[nH]ccc1C 1755624976 BPNIYDBFAUVVIW-NWDGAFQWSA-N 306.366 -0.859 30 20 DBED CC#CCN[C@@H](CO)CNC(=O)[C@H]1CCCN1c1ncccn1 1755631902 MTCAIUJJMRAEGP-ZIAGYGMSSA-N 317.393 -0.465 30 20 DBED CC#CCN[C@H](CO)CNC(=O)CCNC(=O)c1cccs1 1755646274 MKSYTKZHGNTBMB-LBPRGKRZSA-N 323.418 -0.042 30 20 DBED C=CCNC(=O)CN[C@@H]1C[C@H](C)N(C(=O)CN2CCCC2)C1 1755695329 YKRMOTXKGLERHW-UONOGXRCSA-N 308.426 -0.037 30 20 DBED C#CCNC(=O)CNC[C@@H](O)CN(C)C(=O)c1cc[nH]c1CC 1755777189 HHNTXTCDOKYCHX-GFCCVEGCSA-N 320.393 -0.651 30 20 DBED C=CCNC(=O)CNC1CC(N(C)C(=O)[C@H](C)CC(N)=O)C1 1755859577 YMEZZTXGVYWICC-VOMCLLRMSA-N 310.398 -0.621 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@H](CO)NC(=O)c1ccn(C)c1C 1756515219 HYCUALDXLPDDIZ-LRDDRELGSA-N 323.393 -0.132 30 20 DBED CCOCCC(=O)NC[C@H](O)CN(C)C(=O)c1cc(C#N)c[nH]1 1756658225 PYLYYMJUTHCGNK-LBPRGKRZSA-N 322.365 -0.138 30 20 DBED Cc1ncc(C(=O)N(C)C[C@H](O)CNC(=O)C#CC(C)C)n1C 1756676080 GFOATLGMKCGOFJ-CYBMUJFWSA-N 320.393 -0.063 30 20 DBED C=CCO[C@@H](C)C(=O)N1C[C@@H](NC(=O)c2cc[nH]n2)[C@H](OC)C1 1757116170 HMUGRHVRYQKYEQ-CYZMBNFOSA-N 322.365 -0.044 30 20 DBED C=CCOCC(=O)N1CC[C@@H](NC(=O)c2cnccn2)[C@@H](O)C1 1757560757 ZEWKVFQFZJHVOV-YPMHNXCESA-N 320.349 -0.629 30 20 DBED N#Cc1ccccc1S(=O)(=O)NC(=O)[C@H]1CCNC(=O)C1 1771622102 VHFGATOMJBZPKW-VIFPVBQESA-N 307.331 -0.111 30 20 DBED C=CCCn1cc(CNCCN2C[C@@H](C(=O)O)CC2=O)nn1 1776176001 NTVJEIKNKFWFEI-NSHDSACASA-N 307.354 -0.123 30 20 DBED CN(C)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC#N)C[C@@H]21 1786476924 OLAXRKXIISTQCY-AVGNSLFASA-N 308.382 -0.559 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=COCCC1)C2 1800454965 UWMMOJWTWITVNE-AGGWBTHJSA-N 304.346 -0.097 30 20 DBED C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCS(C)(=O)=O)C2 1801600365 OGLZMJIFGKOCEX-ZSBIGDGJSA-N 312.391 -0.308 30 20 DBED CC[C@@H](C)[C@@H](O)C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1841638020 KVKHAXMEOXDRPZ-BXUZGUMPSA-N 322.361 -0.315 30 20 DBED C#CCN1CCN(C(=O)CN2CCCC[C@@H]2C(=O)OC)CC1 81646846 PKJHCNJUQFSOSN-CQSZACIVSA-N 307.394 -0.209 30 20 DBED C#CCN1CCC(C(=O)NCCS(=O)(=O)NC(C)C)CC1 195267306 WYOAKHJZSXSMPS-UHFFFAOYSA-N 315.439 -0.224 30 20 DBED CC(C)NS(=O)(=O)NCC/N=C(\N)N1CCC[C@H](C)C1 263274658 QBJDHYJCWZPYKI-NSHDSACASA-N 305.448 -0.135 30 20 DBED C[C@@]1(C2CC2)NC(=O)N(CC(=O)N2CCO[C@@H](C#N)C2)C1=O 264529761 ZSYJNFQFAUFNTK-HZMBPMFUSA-N 306.322 -0.542 30 20 DBED CS(=O)(=O)NCCNC(=O)C#Cc1ccc2c(c1)OCO2 268482483 JNIBUHVJXNSMNV-UHFFFAOYSA-N 310.331 -0.568 30 20 DBED CCOC(=O)CO/N=C(/C(=O)N1CCC[C@@H](O)C1)c1cc[nH]n1 276637436 UJIJSSBAFYAJFJ-VFDYIDLISA-N 324.337 -0.323 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2CCCO2)C1=O 283343005 SSHCWALQESMGSU-NEPJUHHUSA-N 309.366 -0.473 30 20 DBED C=CCN(CC=C)C(=O)C(=O)N[C@@H](CC)C(=O)N1CCOCC1 288320233 USHXWXCLCQIYCR-ZDUSSCGKSA-N 323.393 -0.059 30 20 DBED CN1CCO[C@@H](C/N=C(/O)N2CC[C@H]3[C@@H](C2)N=C(O)N3C)C1 329119083 JSARVUYIVDMVBG-TUAOUCFPSA-N 311.386 -0.467 30 20 DBED CN1CC[C@H](N(C)/C(O)=N/CCC(=O)N2CCOCC2)C1=O 329482116 RKZFVFXENDPBKS-NSHDSACASA-N 312.370 -0.688 30 20 DBED C[C@H]1[C@@H](C)N(/C(O)=N/C[C@@H]2CN(C)CCN2C)CC[S@@]1=O 329673607 OBUJCKGJFLQHOM-NJKWTTEGSA-N 316.471 -0.013 30 20 DBED O=C1CCC(=O)N1CC/N=C(/O)N[C@H]1CCc2c[nH]nc2C1 329830594 KFNIEYYSYRMYRF-JTQLQIEISA-N 305.338 -0.080 30 20 DBED CN1CCN(C)[C@H](C/N=C(/O)NC[C@@]2(O)CCSC2)C1 330019504 VEDUGJVSMIAQCQ-YPMHNXCESA-N 302.444 -0.396 30 20 DBED CC(=O)N1CC[C@@H](/N=C(/O)Nc2ccn(CCN(C)C)n2)C1 331022994 QWTHJWBNJIZTAB-GFCCVEGCSA-N 308.386 0.391 30 20 DBED CCNC(=O)[C@H](C)NS(=O)(=O)N(CCC#N)CCOC 336915554 MLDBTBKDCMZVEZ-JTQLQIEISA-N 306.388 -0.793 30 20 DBED CCN1CCC[C@H](CNS(=O)(=O)N2CCO[C@@H](C#N)C2)C1 336948790 QXJBONUQLUCJNV-OLZOCXBDSA-N 316.427 -0.223 30 20 DBED CCOC(=O)[C@](C)(O)CNS(=O)(=O)N(CC)C[C@H](C)C#N 336950747 TZUASXUMNHDLOK-ZYHUDNBSSA-N 321.399 -0.384 30 20 DBED COC(=O)CN1CCN(S(=O)(=O)c2cncc(C#N)c2)CC1 352176962 WLVJWPYGTSMBAN-UHFFFAOYSA-N 324.362 -0.567 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)NCCC1(O)CCOCC1 352304038 WJDOFPKCUDMDLG-NSHDSACASA-N 305.400 -0.014 30 20 DBED CNC(=O)Cn1cnc(NC(=O)COc2ccc(C#N)cc2)n1 358960341 SFIUKILLRCBWII-UHFFFAOYSA-N 314.305 -0.087 30 20 DBED CC(C)(C#N)CNC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 359645098 FWAZAIWUPLXMKS-LSKIRQOJSA-N 305.334 -0.185 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@@H]1CCCCNC1=O 407953120 KXHUXQFDDLYFOT-WDEREUQCSA-N 302.400 -0.029 30 20 DBED CC[C@@H](C)N(CC(=O)O)S(=O)(=O)N1CCO[C@H](C#N)C1 417422092 NPOVTZCIZJWWPE-NXEZZACHSA-N 305.356 -0.359 30 20 DBED CS(=O)(=O)N1CCN(C(=O)N[C@@H]2CC[C@H](C#N)C2)CC1 425610109 LIJNYKAWMIIRTM-WDEREUQCSA-N 300.384 -0.035 30 20 DBED C=CCNC(=O)NC(=O)CN1CCC([C@@H](O)C(=O)OC)CC1 441239388 OKBPNWRAOIZFGN-GFCCVEGCSA-N 313.354 -0.756 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](CC)[C@H](O)CC)C1=O 456582678 GLBWZRHZXNRWBY-VHSXEESVSA-N 311.338 -0.371 30 20 DBED CC(C)(C)OC(=O)N1CC(O)(C(=O)N2CC(O)(CC#N)C2)C1 496397210 GNALXXLBQZPWKN-UHFFFAOYSA-N 311.338 -0.545 30 20 DBED CC(C)NC(=O)C(=O)N1CCN(c2ccc(C#N)c(N)n2)CC1 519181599 IHGDOURVJFDIML-UHFFFAOYSA-N 316.365 -0.291 30 20 DBED Cc1nsc(N2CCN(C(=O)[C@H]3CC(=O)N3)CC2)c1C#N 597667715 DZHPPYFTMAPOHD-SNVBAGLBSA-N 305.363 -0.140 30 20 DBED COc1cc(C#N)ccc1S(=O)(=O)N[C@@H]1CCOC[C@H]1O 599493329 NJPCNPNXAVBNKT-GHMZBOCLSA-N 312.347 -0.005 30 20 DBED N#Cc1ncn(CC(=O)N[C@H]2CCCC[C@H]2N2CCOCC2)n1 610887660 NNOQGNKECCKLPK-QWHCGFSZSA-N 318.381 -0.091 30 20 DBED C=C(C)Cn1c(-c2cn[nH]c2)nnc1N1CCO[C@H](C(N)=O)C1 624991052 IRPZXKJRYCRSSF-NSHDSACASA-N 317.353 -0.065 30 20 DBED C=CCn1cc(CNS(=O)(=O)N2CCC(OC)CC2)nn1 657019435 YRZKFFCXKWGDOX-UHFFFAOYSA-N 315.399 -0.091 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(CC)[C@@H](C)C2)C1=O 677176096 XTCKBQIAXXLXCI-NSHDSACASA-N 322.365 -0.484 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(CCCO)C2CC2)C1=O 677936978 FUMHJNGDSYLLMY-UHFFFAOYSA-N 309.322 -0.663 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)OCc2nonc2C)C1=O 735796783 ISNMGRCXTZYOCU-UHFFFAOYSA-N 308.250 -0.602 30 20 DBED C=CCOCCOC(=O)CNS(=O)(=O)c1cn(C)cn1 815217405 DKGRROWTVYRTRY-UHFFFAOYSA-N 303.340 -0.556 30 20 DBED CN1CCN(C(=O)NCCNc2ccc(C#N)cn2)[C@H](CN)C1 841700445 NWHPDHQFELYVJJ-CYBMUJFWSA-N 317.397 -0.351 30 20 DBED CS(=O)(=O)c1ccc(C(=O)N[C@H]2CCCN(O)C2=O)o1 848135991 KMNBIQAUHYBMPE-ZETCQYMHSA-N 302.308 -0.207 30 20 DBED C#CCC[C@H](O)CNC(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1 861519050 DTYGQBDUBAPASC-YPMHNXCESA-N 304.350 -0.337 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)NCCC1(C)OCCO1 875221966 XHPDIDWDSZNIHY-GFCCVEGCSA-N 312.366 -0.200 30 20 DBED C#CC1(O)CN(C(=O)[C@H]2CC=CC[C@@H]2C(=O)N2CCOCC2)C1 890524551 QDMYBUWFVUXSCW-KBPBESRZSA-N 318.373 -0.366 30 20 DBED C#Cc1cc(F)c(NC(=O)C(=O)N[C@@H]2C[C@H](O)[C@H](O)C2)c(F)c1 891658939 BLLUCVMCKRFBIN-ZSPDNNCOSA-N 324.283 -0.115 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N1[C@H](C)C(=O)N[C@H](C)[C@H]1C 921897702 UBMCBYKYAZSYAV-GMTAPVOTSA-N 317.411 -0.106 30 20 DBED C=CCCn1cc(C(=O)N[C@H]2CCN(C(=O)CC(N)=O)C2)nn1 938021564 LAELRSLILUUSCV-JTQLQIEISA-N 320.353 -0.940 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)Cn3nccn3)C2)cn1 940659758 JSUJBAJHEFRMTH-CQSZACIVSA-N 324.344 -0.315 30 20 DBED Cn1nc(C(=O)N[C@@H]2CCN(C(=O)C#CC3CC3)C2)ccc1=O 942457421 OAJIJQGSDJOCGS-GFCCVEGCSA-N 314.345 -0.476 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)C23CCN(CC2)C3)C1 944683430 ZXQCDPKYRPITPL-STQMWFEESA-N 320.393 -0.415 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2CN(C(=O)COC)CCO2)cn1 944697816 YWTVDMYUCJEYEX-CQSZACIVSA-N 317.345 -0.334 30 20 DBED O=C(NC[C@@H]1CN(C(=O)C#CC2CC2)CCO1)c1nc[nH]n1 944721579 ZZOJICJXVJZJJX-LLVKDONJSA-N 303.322 -0.825 30 20 DBED O=C1CC[C@@H](C(=O)NC2CCN(C(=O)C#CC3CC3)CC2)N1 946690265 JBMBHQVNJCJDTG-ZDUSSCGKSA-N 303.362 -0.214 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](CNC(=O)c2ccn3nnnc3c2)C1 958318799 GYCFVEXTBMXYQB-OLZOCXBDSA-N 316.365 -0.277 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H]2CN(C(=O)c3cocn3)C[C@@H]21 960881572 JWLQUJLKGSKVOC-ZMLRMANQSA-N 304.306 -0.114 30 20 DBED C#CCN1C[C@H]2[C@H](NC(=O)c3cncc(-n4ccnn4)c3)[C@H]2C1 961379304 DWVPTHFHCJEZSA-FICVDOATSA-N 308.345 -0.045 30 20 DBED C#CCOc1ncccc1C(=O)NC1[C@H]2CN(CCO)C[C@H]12 962334676 UFDHJKNIEFJUEQ-STQMWFEESA-N 301.346 -0.254 30 20 DBED NC(=O)CC(=O)N1C[C@@H]2CCCN(C(=O)C#CC3CC3)[C@@H]2C1 963743949 VMXDLENJBHLAMB-QWHCGFSZSA-N 303.362 -0.275 30 20 DBED O=C(NC[C@@H]1COCCN1C(=O)C#CC1CC1)[C@H]1CCOC1 964105318 QUBGBHSYYOLBGE-UONOGXRCSA-N 306.362 -0.220 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@H]1COCCN1C(=O)C1CC1 964232758 UAIHPZPGWOMCFC-CABCVRRESA-N 319.405 -0.162 30 20 DBED C=CCN1CC[C@H](C)[C@H](NC(=O)CN2C(=O)CN(C)C2=O)C1 968626628 BVMNHHDRZCDHJJ-NWDGAFQWSA-N 308.382 -0.107 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@@H](NCc2nc(O)n[nH]2)C1 968954231 FLBXEVMXCWDBHJ-NEPJUHHUSA-N 318.381 -0.702 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@@H](NCCN2C(=O)CNC2=O)C1 969584969 PNPIVBZCJDGXOE-LLVKDONJSA-N 308.382 -0.059 30 20 DBED CCc1nocc1C(=O)N[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1O 970358476 FSIGKAJSMWHKMP-FXAINCCUSA-N 306.322 -0.302 30 20 DBED C#CCCN1C[C@H]2CC[C@H]1CN2C(=O)Cn1cnc(C(N)=O)n1 971398157 SXEUVMWLAHDHGT-NWDGAFQWSA-N 316.365 -0.925 30 20 DBED C=CCN1C[C@H]2[C@H](CNC(=O)[C@H]3CN(C(C)=O)CCO3)[C@H]2C1 979017594 UMXAENRHHJRJFD-APIJFGDWSA-N 307.394 -0.286 30 20 DBED C#CCN1CC[C@@]2(NC(=O)Cn3ccc(O)nc3=O)CCC[C@@H]12 991650588 BNTGHJYRXBAZAQ-WBMJQRKESA-N 316.361 -0.305 30 20 DBED C=CCN[C@@H]1CCC[C@@H]2CN(C(=O)Cn3ncn(C)c3=O)C[C@H]21 992746429 WSKFBBUGMLBMLA-MGPQQGTHSA-N 319.409 -0.016 30 20 DBED Cc1nn(CC(=O)N2C[C@@H](NCC#N)C(C)(C)C2)c(=O)n1C 996575762 RYTOIZVOAIGWAT-LLVKDONJSA-N 306.370 -0.760 30 20 DBED COCCn1cc(C(=O)NC2CN(C(=O)[C@H](C)C#N)C2)cn1 997673728 YISRLFKGIAGNDN-SNVBAGLBSA-N 305.338 -0.370 30 20 DBED N#Cc1ccc(C(=O)N2CC(NC(=O)[C@@H]3[C@H]4COC[C@H]43)C2)[nH]1 997925631 MERUOCFGBNAJBQ-PJXYFTJBSA-N 300.318 -0.281 30 20 DBED C#CCCN1CCC[C@@H](NC(=O)C2CC3(C2)NC(=O)NC3=O)C1 1008846543 OLLLMTOGSWFOGM-BWBHSNQOSA-N 318.377 -0.422 30 20 DBED Cc1nn[nH]c1C(=O)N1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 1010924939 GOKZJUGVLNLEEI-UHFFFAOYSA-N 313.321 -0.089 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C(=O)[C@@H]2CCCN(C(N)=O)C2)CC1 1011494375 DGOPLONWSHELBW-VXGBXAGGSA-N 321.381 -0.392 30 20 DBED C[C@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCCN1C(=O)C(N)=O 1014882038 QTJSAZICWUYKQF-WPRPVWTQSA-N 303.322 -0.519 30 20 DBED C#CCN1CCC2(CC1)C[C@@H]2NC(=O)CN1C(=O)CCC1=O 1016963932 SGWIMQWMHOYZPK-LBPRGKRZSA-N 303.362 -0.261 30 20 DBED C[C@@H](C(=O)N1[C@H]2CC[C@H]1CN(CC#N)C2)N1C(=O)CCC1=O 1017600677 PJSAEWYEBRSSAK-SRVKXCTJSA-N 304.350 -0.277 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCN(C(=O)[C@H]3CC(=O)N(C)C3)C2)C1 1019364737 LBGUXVCQUHUCIX-NEPJUHHUSA-N 318.377 -0.315 30 20 DBED C=CCN1CC[C@@H](N[C@H]2C[C@@H](NC(=O)[C@@H]3COC(=O)N3)C2)C1=O 1022035997 DIZVNSYHWKGHJX-KXNHARMFSA-N 322.365 -0.882 30 20 DBED CC[C@@H](F)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 1023331525 OBOBDUQCAGKGKE-YUSALJHKSA-N 308.313 -0.064 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H](C)n2cncn2)C1 1023460074 PHVSMKZZVZJZPK-IJLUTSLNSA-N 321.381 -0.261 30 20 DBED Cc1ccnc(C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2O)n1 1023548210 GFLCWLFEQCENOD-CHWSQXEVSA-N 314.345 -0.500 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)C23CCCN2CCC3)C1 1024743770 GENTUEJJAVUFNC-JHJVBQTASA-N 320.393 -0.538 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN(CCN2CCCC2=O)C1 1030463475 ODJWEPWCTDAZOX-HNNXBMFYSA-N 318.421 -0.493 30 20 DBED C=C(Cl)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCS(=O)(=O)N1 1032789081 UESWZCVCPADWKD-DCAQKATOSA-N 319.814 -0.284 30 20 DBED CN(C(=O)c1coc(S(N)(=O)=O)c1)[C@@H]1CCN(CC#N)C1 1033211039 ZGRBMLINBXDGPZ-SNVBAGLBSA-N 312.351 -0.403 30 20 DBED C#CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1ccc(OCC(N)=O)cc1 1037507638 SVMFNMMNOAVFFT-IVMMDQJWSA-N 313.357 -0.014 30 20 DBED N#CCN1CC[C@@H]1CNC(=O)c1cnc2c(c1)NC(=O)CO2 1038473170 KJXPBKLOMYITBR-SNVBAGLBSA-N 301.306 -0.260 30 20 DBED CC#CCN1CC[C@@H]1CNC(=O)c1ccc(=O)n(CCOC)n1 1038485407 OORWWXNIKLSJNJ-CYBMUJFWSA-N 318.377 -0.283 30 20 DBED CC(C)C#CC(=O)NC[C@@]1(O)CCN(C(=O)CC(C)(C)O)C1 1039663787 JIXBRSOAAFWRSN-INIZCTEOSA-N 310.394 -0.114 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)c2cccnc2)C1 1040763021 MZGYTMGGCADYRI-NHYWBVRUSA-N 302.334 -0.066 30 20 DBED C=CCCC(=O)N1CC[C@@](O)(CNC(=O)[C@]2(C)CCC(=O)N2)C1 1040832942 MUTXGKMMIHDUIU-JKSUJKDBSA-N 323.393 -0.299 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCO3)C2)cn1 1040925640 OHIXAYOIPYIKFD-MGPQQGTHSA-N 302.334 -0.202 30 20 DBED N#CCSCC(=O)NCC1(O)CN(C(=O)c2ccncn2)C1 1041568752 OYYCMWGKYUXONO-UHFFFAOYSA-N 321.362 -0.964 30 20 DBED CCc1cc(C(=O)NCC2(O)CN(C(=O)C#CC3CC3)C2)n[nH]1 1041595149 XPEMUHJICOXLMJ-UHFFFAOYSA-N 316.361 -0.311 30 20 DBED CCO[C@@H]1C[C@H]1C(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1041691990 VLFSQTDWDQMITN-CHWSQXEVSA-N 306.362 -0.486 30 20 DBED O=C(CC[C@H]1CCOC1)NCC1(O)CN(C(=O)C#CC2CC2)C1 1042454186 JEEVZVILJMVRER-AWEZNQCLSA-N 320.389 -0.094 30 20 DBED C=C(Br)CN1CC(N(C)C(=O)Cn2ncnn2)C1 1042728680 HKPNWZYOJGIRRB-UHFFFAOYSA-N 315.175 -0.276 30 20 DBED CC(C)(C)C#CC(=O)NCC1(O)CN(C(=O)C(C)(C)C(N)=O)C1 1042969653 YDSIYHYYBOZICW-UHFFFAOYSA-N 323.393 -0.763 30 20 DBED C[C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1Nc1nccnc1C#N 1043184884 CXJRXPAKDBVKFD-ZYHUDNBSSA-N 312.337 -0.101 30 20 DBED Cc1c[nH]nc1C(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1043929192 LOUJQASBPZSFMU-MNOVXSKESA-N 313.321 -0.641 30 20 DBED CO[C@@H](C(=O)NCC1(O)CN(C(=O)[C@H](C)C#N)C1)C1CCC1 1044089395 QWIYHBIBUVVXFA-ZYHUDNBSSA-N 309.366 -0.349 30 20 DBED Cc1nnccc1C(=O)NCC1(O)CN(C(=O)[C@H](C)C#N)C1 1044148621 IEHXLCQIIJNFTG-SECBINFHSA-N 303.322 -0.752 30 20 DBED Cc1ccc(C#N)c(N2C[C@H](O)[C@H](NC(=O)c3cnn[nH]3)C2)n1 1044788581 NGPMHMJZHBDXDC-NEPJUHHUSA-N 313.321 -0.641 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)C2(CN(C)C)CC2)C1 1045385966 AJYZGGYWMGWRML-UHFFFAOYSA-N 321.421 -0.179 30 20 DBED C=CCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCN(C)C2)C1 1045458596 IHHPKEBQDPJMNM-CYBMUJFWSA-N 309.410 -0.016 30 20 DBED C#Cc1ccc(C(=O)N2CC(O)(CNC(=O)[C@H](C)C#N)C2)nc1 1045546442 MEAJBZKRAMJCRK-LLVKDONJSA-N 312.329 -0.474 30 20 DBED C#CCN1[C@H]2CC[C@H]1CN(C(=O)CN1CCC(=O)NC1=O)CC2 1045875436 VUHNBUAYMOKQBC-STQMWFEESA-N 318.377 -0.373 30 20 DBED C=C(C)CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cn(C)c(=O)cn2)C1 1047463011 RGMQVZIURJSMFM-KBPBESRZSA-N 320.393 -0.136 30 20 DBED C=C[C@](C)(O)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C#CC2CC2)C1 1048821496 PENLHQQWZSTYHI-ZQIUZPCESA-N 320.389 -0.243 30 20 DBED C=C(C)CCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC(=O)N2)C1 1049139619 HCKOWKSVOPHUDP-AVGNSLFASA-N 323.393 -0.349 30 20 DBED Cc1ccc(=O)n(CC(=O)N2CC3(CCN(CC#N)CC3)C2)n1 1050736738 ZHGUFISDXYIAEW-UHFFFAOYSA-N 315.377 0.000 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)c1ccc2nnnn2c1 1051024392 BHBVGIGHXSKAJL-GFCCVEGCSA-N 300.322 -0.812 30 20 DBED N#CCN1CCOC[C@H]1CNC(=O)c1ccc(C(N)=O)cc1 1051238238 IMXPJDVBBHGBFE-CYBMUJFWSA-N 302.334 -0.260 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)[C@H]1CC[C@@H]1C(N)=O)CCO2 1053373541 PRWKWBJUHTTWDE-STQMWFEESA-N 305.378 -0.566 30 20 DBED C#CCN1CC2(CC[C@@H](CNC(=O)[C@H]3CCCC(=O)N3)O2)C1 1053614325 JDYLJZSZLLNYIK-QWHCGFSZSA-N 305.378 -0.362 30 20 DBED N#CCN1CC2(CC[C@@H](CNC(=O)[C@@H]3CCNC(=O)CC3)O2)C1 1053637810 DTAXYNLCDDLAIL-STQMWFEESA-N 320.393 -0.224 30 20 DBED Cn1c(C(=O)NC[C@@H]2CCC3(CN(CC#N)C3)O2)cnc1O 1053642624 FWZRVXIGRBBLHL-JTQLQIEISA-N 305.338 -0.388 30 20 DBED CCn1cc(CC(=O)N[C@H]2COC3(C2)CN(CC#N)C3)nn1 1053879771 ZIRMTCZVYLDBOX-GFCCVEGCSA-N 304.354 -0.676 30 20 DBED C=CCN1CC2(C[C@@H](NC(=O)CN3C(=O)CN(C)C3=O)CO2)C1 1054003247 QGAJOLRJLKQHMP-LLVKDONJSA-N 322.365 -0.974 30 20 DBED C[C@H]1CN(C(=O)CCc2nnc(O)nc2O)C[C@H]1NCC#N 1054848408 XCSIATVGTDZTPC-WCBMZHEXSA-N 306.326 -0.825 30 20 DBED N#Cc1nccnc1N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cc1nc[nH]n1 1055098626 VNPDSEBUHRWMJK-SCVCMEIPSA-N 324.348 -0.065 30 20 DBED CN1CCOC[C@@H]1C(=O)N1CCN(c2ccc(C#N)nn2)CC1 1055753840 DVIGLBFPLLYDMJ-CYBMUJFWSA-N 316.365 -0.673 30 20 DBED Cc1nnc(CC(=O)N2CCN(c3cncc(C#N)n3)CC2)o1 1055786948 UAHFHTUSDLYBKN-UHFFFAOYSA-N 313.321 -0.069 30 20 DBED C=C(C)CCC(=O)N1CCC[C@](CO)(NC(=O)CC(N)=O)C1 1055846134 QACNQZRRIICLAD-HNNXBMFYSA-N 311.382 -0.312 30 20 DBED CN(c1ccnc(C#N)n1)[C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 1057013238 ZPUMBYQLEIVGJH-VHSXEESVSA-N 315.337 -0.933 30 20 DBED C=CCCO[C@@H](C)C(=O)N(CCO)CCNC(=O)CCOC 1057144340 OWWXJCCPNOSSGI-ZDUSSCGKSA-N 316.398 -0.059 30 20 DBED C=C[C@](C)(O)CC(=O)N(CCO)CCNC(=O)c1cccnn1 1057450936 BLBVBZPXBHEDNS-HNNXBMFYSA-N 322.365 -0.646 30 20 DBED C=CCO[C@H](C)C(=O)NCCN(CCO)C(=O)c1[nH]cnc1C 1058064658 IKEBWLZKGAETFY-GFCCVEGCSA-N 324.381 -0.140 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)CCc1ncccn1 1058506640 HBRRKGDHOVHILU-LBPRGKRZSA-N 319.365 -0.494 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)c1cccnn1 1058527658 CXEOKJHBFPQVKX-UHFFFAOYSA-N 308.338 -0.770 30 20 DBED CC(=O)N1CC(C(=O)N[C@H]2C[C@H](N=c3cc[nH]c(C#N)n3)C2)C1 1059199063 TUOZBNUVGYJTPV-HAQNSBGRSA-N 314.349 -0.692 30 20 DBED C=CCO[C@H](C)C(=O)N1CCOC[C@H]1CNC(=O)COC 1061183040 YZRITSUTMIDGRM-VXGBXAGGSA-N 300.355 -0.433 30 20 DBED COc1nc(C(=O)N2CCOC[C@H]2CNC(=O)[C@@H](C)C#N)co1 1061854328 YBUZZTHICMMNIB-VHSXEESVSA-N 322.321 -0.200 30 20 DBED N#Cc1ccc(N2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CCC(=O)N2)nn1 1062458702 CCTDHEOIFFBTNS-SDDRHHMPSA-N 312.333 -0.584 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NC1(CNC(=O)CC(N)=O)CCC1 1062735722 OURQCLUVMIAEPA-NEPJUHHUSA-N 323.393 -0.002 30 20 DBED C=CCOCC(=O)NC1(CNC(=O)[C@@H]2CCC(=O)NC2)CCC1 1063575017 HOAAKXCDXPCEDH-GFCCVEGCSA-N 323.393 -0.130 30 20 DBED N#Cc1cnccc1N1CCO[C@@H](CNC(=O)c2nc[nH]n2)C1 1063640044 XSNRBQQGGRTYLG-NSHDSACASA-N 313.321 -0.293 30 20 DBED C[C@H](Nc1cnc(C#N)cn1)[C@@H]1CCCN(C(=O)C(N)=O)C1 1063905437 YZTHWBMBCDDIET-VHSXEESVSA-N 302.338 -0.127 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CN(C(=O)C2CCOCC2)CCO1 1064742583 WNMBUUDXIWWKAA-WCQYABFASA-N 309.366 -0.084 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)[C@H](CC)OC)CCO1 1064946298 LHMXTVFCNTVJCD-OLZOCXBDSA-N 314.382 -0.042 30 20 DBED Cn1nnc(C(=O)N2C[C@@H]3CN(c4ccc(C#N)nc4)C[C@@H]3C2)n1 1066050762 ORQLVXVLMGSKRF-PHIMTYICSA-N 324.348 -0.315 30 20 DBED N#Cc1nccnc1NCC[C@H]1CCN(C(=O)CC(N)=O)C1 1066290232 OWACXGNEVKPFJJ-JTQLQIEISA-N 302.338 -0.126 30 20 DBED CN(C(=O)Cn1cnnn1)C1CC(Nc2nccnc2C#N)C1 1069710394 SIOISCOFSFOACO-UHFFFAOYSA-N 313.325 -0.564 30 20 DBED Cc1nc[nH]c1C(=O)N1C[C@H](n2ccnn2)[C@H](NCC#N)C1 1070339217 LYEGBEJNHNXIDQ-MNOVXSKESA-N 300.326 -0.512 30 20 DBED Cn1cc(CC(=O)N2C[C@@H]3C[C@@H]4CN(CC#N)C[C@]3(C2)O4)cn1 1070770981 MZGWEOIFIQDRCM-SQWLQELKSA-N 315.377 -0.212 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)Cn4nccn4)C[C@@]3(C1)O2 1070806457 LTTREVRXFCGTNP-UMVBOHGHSA-N 301.350 -0.787 30 20 DBED C=CCCC(=O)N[C@@H]1CCCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 1070920335 NGCWKZXXKSZLQE-MNOVXSKESA-N 322.365 -0.342 30 20 DBED C=CCN1C[C@H](NC(=O)c2cn(CC(N)=O)nn2)CC[C@@H]1C 1072099518 SBRCFQOENWZVQA-WDEREUQCSA-N 306.370 -0.468 30 20 DBED C[C@H]1CN(C(=O)Cn2cncn2)C[C@H]1NC(=O)CSCC#N 1072773296 QLVQAIBADLVQPZ-WDEREUQCSA-N 322.394 -0.502 30 20 DBED C#CCCN1CCCO[C@H](CNC(=O)C2CS(=O)(=O)C2)C1 1073620487 GMLPXINONYRHEM-CYBMUJFWSA-N 314.407 -0.739 30 20 DBED C#CCCN1CCO[C@H]2CCN(C(=O)c3cnnn3C)C[C@H]21 1074229908 PEYDZCNYBLSCHA-KGLIPLIRSA-N 303.366 -0.246 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CCN(C(=O)[C@H]2CCCO2)CC1 1074453258 VEKSFGZNMLGAOR-NWDGAFQWSA-N 309.366 -0.205 30 20 DBED Cc1nonc1C(=O)NCC1(O)CCN(C(=O)[C@H](C)C#N)CC1 1074706233 IOTRHAWDVRDOMZ-SECBINFHSA-N 321.337 -0.379 30 20 DBED C[C@@H]1C[C@@H](NC(=O)CC(N)=O)CCN1C(=O)c1ccc(C#N)[nH]1 1074908674 ALBMGEKTYSKWHX-ZJUUUORDSA-N 317.349 -0.129 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2cc(-c3ccn(C)n3)on2)C1 1077057178 BEUOTBDRWWICCE-CHWSQXEVSA-N 315.333 -0.517 30 20 DBED C=CCO[C@H](C)C(=O)NCC[C@H](C)NC(=O)CNC(=O)OC 1077066105 HQOKCJZTUNRRFX-WDEREUQCSA-N 315.370 -0.056 30 20 DBED Cc1cn2c(n1)C[C@H](C(=O)N[C@@H]1CN(CC#N)C[C@H]1O)CC2 1077228872 CRUQLVQYXXGKBX-JHJVBQTASA-N 303.366 -0.561 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1077433298 STAATKCEOMYRMW-VQJWOFKYSA-N 308.378 -0.778 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2c[nH]nc2[C@@H]2CCOC2)C1 1077456010 RNOGGFNBMCOSAR-YUSALJHKSA-N 305.338 -0.788 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)Cn2ccccc2=O)C1 1078159525 SPGCFPGJBLJWJI-ZIAGYGMSSA-N 305.378 -0.024 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(N(CC)C(=O)CC(=O)N(C)C)C1 1079800645 YPBZPYKYHGHKLR-GFCCVEGCSA-N 323.393 -0.438 30 20 DBED C=CCOCC(=O)N1CC(N(CC)C(=O)[C@@H]2CCCNC2=O)C1 1079950052 ZEILXGHILFHXSW-CYBMUJFWSA-N 323.393 -0.226 30 20 DBED CNC(=O)CC(=O)NC[C@H]1CN(C(=O)C#CC(C)(C)C)C[C@@H]1O 1081434101 QRODPLAQNHHQIX-RYUDHWBXSA-N 323.393 -0.893 30 20 DBED C=CCC1(C(=O)N2C[C@H](O)[C@H](CNC(=O)C(N)=O)C2)CCC1 1081718856 JDWVULIJSQWJAN-MNOVXSKESA-N 309.366 -0.846 30 20 DBED Cc1nc(CN2C[C@H]3[C@@H](C2)OCCN3C(=O)C#CC2CC2)n[nH]1 1083077236 ZLBTYETUXCLHST-UONOGXRCSA-N 315.377 -0.062 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2ncoc2C(F)(F)F)C1 1083585470 YKCDIOATBLSEOP-RQJHMYQMSA-N 304.228 -0.008 30 20 DBED C#CCN1CC[C@H]1CN(C)C(=O)[C@H]1CC(=O)N(CCOC)C1 1085626563 PDJPZCUWGGFHCI-KBPBESRZSA-N 307.394 -0.353 30 20 DBED C=CCN1CC[C@@H](N2CC[C@H]2CN(C)C(=O)c2nc[nH]n2)C1=O 1085881469 GHKOMNKMUAMBHX-NWDGAFQWSA-N 318.381 -0.262 30 20 DBED C[C@@H](C[C@H](C)Nc1cnc(C#N)cn1)NC(=O)Cn1cnnn1 1089214026 DTVBBGAKJCGDJZ-UWVGGRQHSA-N 315.341 -0.270 30 20 DBED CCN(c1cnc(C#N)cn1)[C@H](C)CNC(=O)Cn1ncnn1 1089698544 QUVKXRVNCPATMS-SNVBAGLBSA-N 315.341 -0.634 30 20 DBED CCc1c(C(=O)N[C@@H]2CCN(CC#N)C[C@@H]2O)nnn1CC 1090568877 IMJPKTNFCGPAIB-PWSUYJOCSA-N 306.370 -0.451 30 20 DBED N#CCN1CC[C@@H](NC(=O)Cn2nnc3c2CCCC3)[C@H](O)C1 1090574722 WLEZVCAKISNRGS-TZMCWYRMSA-N 318.381 -0.768 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCN(CCCF)C[C@@H]2O)nn1 1090635982 AUCHTBXBVKMJEA-AAEUAGOBSA-N 311.361 -0.011 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2ccc(OC)nn2)[C@H](O)C1 1090703703 IQSKHTIWKXUIQM-DGCLKSJQSA-N 304.350 -0.327 30 20 DBED CO[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1NC(=O)CC(C)(C)O 1090883459 SCBOWYXQKSSCKF-GHMZBOCLSA-N 319.365 -0.171 30 20 DBED CC[C@@H](OC)C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1091087742 PTQQJMJLMGAMTQ-GRYCIOLGSA-N 305.338 -0.561 30 20 DBED CN(C)C(=O)[C@@H]1CC[C@H](C(=O)NCC2CC(NCC#N)C2)O1 1091232202 JPGVJZNDQAUCRI-TUUUFIMRSA-N 308.382 -0.370 30 20 DBED C=CCN1C[C@@H]2CN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C[C@]2(C)C1 1092055614 PPQTZRZAXLQJLQ-ZETOZRRWSA-N 306.366 -0.449 30 20 DBED C#Cc1ccc(C(=O)N2C[C@H]3CN(CC(N)=O)C[C@@]3(C)C2)nc1 1092212028 ZMKDVNMSGMLPDU-DYVFJYSZSA-N 312.373 -0.058 30 20 DBED C#CCN1C[C@@H](C)[C@H](CNC(=O)[C@H]2COCCN2C(C)=O)C1 1093210645 PEBJSDVJJLAQHM-BPLDGKMQSA-N 307.394 -0.449 30 20 DBED COc1cc(C(=O)NCCNc2nccnc2C#N)nn1C 1094262508 IGHMOWYJEWJTMS-UHFFFAOYSA-N 301.310 -0.068 30 20 DBED C#CCN1CC(n2cc(CNC(=O)[C@@H]3C[C@]34CCOC4)nn2)C1 1094333376 DYZXUYDNTPPGGQ-HOCLYGCPSA-N 315.377 -0.189 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)c3cn(C)c(O)n3)CC2=O)C1 1094779621 PIVZPHUKFWMMDD-JTQLQIEISA-N 319.365 -0.673 30 20 DBED Cn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC#N)c(O)nc1=O 1096534863 NGGJHLXYALCGRA-MIMYLULJSA-N 303.322 -0.655 30 20 DBED CCc1nc(C#N)cc(N[C@H]2C[C@H](NC(=O)CC(N)=O)C2)n1 1096997553 JFPZYNJTXMYSCK-KYZUINATSA-N 302.338 -0.155 30 20 DBED CCNC(=O)CCC(=O)N[C@H]1C[C@@H](N=c2cc[nH]c(C#N)n2)C1 1097157386 XNRRKVCDWRAEGX-PHIMTYICSA-N 316.365 -0.254 30 20 DBED C[C@H](CNC(=O)c1cn(C)c(=O)cn1)Nc1cnc(C#N)cn1 1098429675 OJJZFBSRENIQDW-SECBINFHSA-N 313.321 -0.328 30 20 DBED C=CCOCCN(CCO)C1CCN(C(=O)c2nc[nH]n2)CC1 1098506039 KDDGYKPRZISAGK-UHFFFAOYSA-N 323.397 -0.094 30 20 DBED C=CCN(CCO)C1CCN(C(=O)c2ccc(=O)n(C)n2)CC1 1098555062 CYGMWQWDHAAENN-UHFFFAOYSA-N 320.393 -0.135 30 20 DBED C#CCNCc1cn([C@H]2CCN(C(=O)[C@@H](C)CC(N)=O)C2)nn1 1098698688 XFFNHCRNNDFIFF-AAEUAGOBSA-N 318.381 -0.714 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2)C[C@H]1C(F)(F)F 1099225171 XYJJLNQUGZHCKE-OPRDCNLKSA-N 303.284 -0.123 30 20 DBED CCC(=O)N[C@@H]1CCN(CC(=O)N(CC)CCC#N)C[C@@H]1O 1099613888 OIZUBFUWIPVFBK-OLZOCXBDSA-N 310.398 -0.290 30 20 DBED C[C@H](CCNC(=O)c1c[nH]c(=O)cn1)N=c1cc[nH]c(C#N)n1 1099666673 ABQJQJXFQQVZOU-SECBINFHSA-N 313.321 -0.526 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(Cc2nnc(CC)o2)C[C@H]1O 1099740399 CNGZYXVYMWCBFS-NWDGAFQWSA-N 324.381 -0.114 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)Cc2ccc[nH]2)[C@H](O)C1 1100115031 XZXYQLBWQJGAOH-HUUCEWRRSA-N 305.378 -0.242 30 20 DBED C#CCNC(=O)[C@H](C)NC1CC(CNC(=O)CC(=O)NCC)C1 1100264732 AUDCDICRQSZOOO-HIFPTAJRSA-N 322.409 -0.865 30 20 DBED CN1CC[C@@H](C(=O)NCCN(C)c2cnc(C#N)cn2)C1=O 1100273374 QKNVNEISHBIYRI-NSHDSACASA-N 302.338 -0.621 30 20 DBED CC(=O)NCC(=O)NC[C@@H]1CCCN1c1ccc(C#N)nn1 1100770384 QIWIXOMOGCBYCE-LBPRGKRZSA-N 302.338 -0.431 30 20 DBED C#CCNC(=O)CC(=O)N(C)CCNc1ncccc1[N+](=O)[O-] 1101550994 MWXOSZLEHCWEHH-UHFFFAOYSA-N 319.321 0.000 30 20 DBED COc1cc(C(=O)N(C)CCN=c2cc[nH]c(C#N)n2)ncn1 1101801686 DIQXATYFDOKXPG-UHFFFAOYSA-N 313.321 -0.247 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCOC2)C1 1102747574 JXGVDUIFWSQTNU-KFWWJZLASA-N 321.421 -0.154 30 20 DBED C[C@H](CNc1ccc(C#N)nn1)N(C)C(=O)Cn1cncn1 1104570282 LZCZEPYGPCRWCM-SNVBAGLBSA-N 300.326 -0.101 30 20 DBED Cc1nc(CC(=O)N(C)CCN(C)c2ccnc(C#N)n2)n[nH]1 1105388423 LABNUYPBVKYYNH-UHFFFAOYSA-N 314.353 -0.088 30 20 DBED Cn1cc(C(=O)NC[C@@H](O)CN=c2cc[nH]cc2C#N)cn1 1105716649 YFYAKPSMKWZDIS-LBPRGKRZSA-N 300.322 -0.689 30 20 DBED CC(=O)N[C@H](C)C(=O)NC[C@@H](O)CNc1ccc(C#N)c(C)n1 1105734966 IBTRRVQOTJRBBN-MFKMUULPSA-N 319.365 -0.325 30 20 DBED CC(=O)N1CC(C(=O)NC[C@H](O)CNc2ccc(C#N)nc2)C1 1105796659 RTZAZIHMAPYBIV-CQSZACIVSA-N 317.349 -0.679 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)c2ncccc2O)nn1 1105802852 SLFZOSAYEYNGCC-SNVBAGLBSA-N 314.305 -0.348 30 20 DBED Cc1cc(=NC[C@@H](O)CNC(=O)CC(C)(C)O)c(C#N)c[nH]1 1105803475 DIWLSTCYIVEWNL-GFCCVEGCSA-N 306.366 -0.266 30 20 DBED CO[C@@H](C(=O)NC[C@@H](O)CNc1cncc(C#N)n1)C(C)C 1106092636 KCNRSJRCHYPJAB-WCQYABFASA-N 307.354 -0.092 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)[C@H](COC)OC)C[C@H]1C 1106645018 KMZVDAVQSGLZRT-KFWWJZLASA-N 312.410 -0.018 30 20 DBED N#Cc1cncc(NC/C=C/CNC(=O)[C@H]2CCC(=O)N2)n1 1107115366 JBISNIOVGXUWAD-FMBMQGQPSA-N 300.322 -0.289 30 20 DBED C=CCOCC(=O)NCc1cn(C2CN(CCCOC)C2)nn1 1107146289 DQKSTEHJVDUMSE-UHFFFAOYSA-N 323.397 -0.010 30 20 DBED C#CCN1CC(n2cc(CNC(=O)CCn3ccnc3)nn2)C1 1107190543 WVQMQUCMOJTURR-UHFFFAOYSA-N 313.365 -0.329 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)CCN1CCCC1=O 1107782044 ZIULNSYPFGYTDY-LLVKDONJSA-N 316.365 -0.301 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)[C@@H]1CCS(=O)(=O)C1 1108000785 ALODGLYCSNBCFY-NXEZZACHSA-N 323.378 -0.879 30 20 DBED Cn1ncc(CCC(=O)NC[C@]2(C)CN(CC#N)CCO2)n1 1108219597 GLYMWPKEWYWMJW-CQSZACIVSA-N 306.370 -0.522 30 20 DBED C#Cc1ccc(C(=O)NC[C@@]2(C)CN(CCO)CCO2)cn1 1108350816 BUYPUWMKRMBVTI-INIZCTEOSA-N 303.362 -0.124 30 20 DBED C[C@@H](CC(=O)N[C@@H](C)CN(C)c1cncc(C#N)n1)NC(N)=O 1109097423 MVCUAPGWHADZPD-UWVGGRQHSA-N 319.369 -0.264 30 20 DBED C[C@@H](CN(C)c1ncc(C#N)cc1F)NC(=O)Cn1ncnn1 1109118511 GBZDCKIITXIILB-VIFPVBQESA-N 318.316 -0.280 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H](CC)N(C)C 1109445867 BNGAWSNYKQMKHX-BARDWOONSA-N 320.437 -0.203 30 20 DBED CC(=O)N(C)CC(=O)N[C@]1(C)CCN(c2ccnc(C#N)n2)C1 1110722120 HLGYCPWOQGHKBY-OAHLLOKOSA-N 316.365 -0.088 30 20 DBED CCO[C@@H](C)C(=O)N1CCO[C@@H](CN=c2cc[nH]c(C#N)n2)C1 1111934729 IIBKITFLEREMGV-RYUDHWBXSA-N 319.365 -0.166 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCN(CCNS(C)(=O)=O)CC1 1112814806 VLGFWFKUPBNFQC-ZDUSSCGKSA-N 319.427 -0.993 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)C2CC(OC)C2)CC1 1112994541 AKXGPUPWNUBNGE-HSBZDZAISA-N 307.394 -0.307 30 20 DBED COCC#CCN1CCN(C(=O)CCCn2cncn2)CC1 1113502650 KUELEUFUQGJYOS-UHFFFAOYSA-N 305.382 -0.148 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)c3cncnc3)[C@H]2C1 1114157222 AVRDGWHGIBREOB-RYUDHWBXSA-N 301.350 -0.561 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)Cc3cnc[nH]3)[C@H]2C1 1114889896 ZUTGQLSRGABOIO-DRZSPHRISA-N 317.393 -0.311 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)C3(C(=O)N(C)C)CC3)[C@H]2C1 1115105793 LYFDHTNLAAADQF-WDNDVIMCSA-N 319.405 -0.449 30 20 DBED C=CCCOCC(=O)N[C@H]1[C@@H]2CN(Cc3nnn(C)n3)C[C@@H]21 1115324341 PAYBWJQLNYXEIX-YABSGUDNSA-N 306.370 -0.651 30 20 DBED C#CCOCCNC(=O)C(=O)N1C[C@H](C)O[C@]2(CCOC2)C1 1117437292 XUJJAGAVMHECOE-SWLSCSKDSA-N 310.350 -0.841 30 20 DBED C=CCOCC(=O)NC1CC2(CC(NCc3nnnn3C)C2)C1 1120827064 DVCYWSOTAHQZPR-UHFFFAOYSA-N 320.397 -0.070 30 20 DBED CC(C)(C)C(=O)C(=O)NC[C@H](CO)N=c1cc[nH]cc1C#N 1121228488 INWRQRNXXQVWCR-LLVKDONJSA-N 304.350 -0.121 30 20 DBED N#Cc1cccnc1N[C@H](CO)CNC(=O)CO[C@H]1CCOC1 1122069251 IYANINZFYTXXPB-STQMWFEESA-N 320.349 -0.352 30 20 DBED CN(C[C@@H](O)CNc1cnc(C#N)cn1)C(=O)[C@@H]1CCCO1 1124066402 VMFWJQYQMGAZBM-RYUDHWBXSA-N 305.338 -0.242 30 20 DBED CN(C[C@@H](O)CNc1ccc(C#N)nc1)C(=O)[C@H]1COC(=O)N1 1124270845 FMAJVEQXZQQOLF-NWDGAFQWSA-N 319.321 -0.707 30 20 DBED CCN(CC)CC(=O)N(C)C[C@@H](O)CN=c1cc[nH]c(C#N)n1 1124364196 FKVAXXMORLSMMA-LBPRGKRZSA-N 320.397 -0.657 30 20 DBED CN(C)CCC(=O)N(C)C[C@@H](O)CN=c1cc[nH]cc1C#N 1124708300 BNOWFOFAXMRYMF-ZDUSSCGKSA-N 305.382 -0.442 30 20 DBED CN(C[C@H](O)CN(C)c1nccnc1C#N)C(=O)c1cc[nH]n1 1125017638 DWLLEVOWRDYOHF-SNVBAGLBSA-N 315.337 -0.359 30 20 DBED CC(=O)NCC(=O)N(C)CCOCCNc1ncccc1C#N 1127146078 WDNMWQDWKCSPIR-UHFFFAOYSA-N 319.365 -0.024 30 20 DBED C#CCN1CCn2ncc(CNC(=O)Cc3cnn(C)c3)c2C1 1128256162 WFSPDUJAZPJHOW-UHFFFAOYSA-N 312.377 -0.076 30 20 DBED C#CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H](CC)N(C)C)C1 1129276658 QMUFZNCPWPPDPO-ILXRZTDVSA-N 318.425 -0.017 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1ccnc(OC)c1 1130715634 CXXGBMKNMGAISC-NSHDSACASA-N 304.350 -0.453 30 20 DBED C=C(C)CN1C[C@H]2C[C@H]3CN(C(=O)CCNC(N)=O)C[C@@]3(C1)O2 1131289320 JZKUEERIUHUCQD-WOSRLPQWSA-N 322.409 -0.077 30 20 DBED N#CCN1C[C@H]2C[C@H]3CN(C(=O)CCCC(N)=O)C[C@@]3(C1)O2 1131297432 CCENEJYASWRGHE-YWPYICTPSA-N 306.366 -0.533 30 20 DBED CCS(=O)(=O)NCC(=O)N[C@@H]1CC[C@H](C)N(CC#N)C1 1132087554 PSKMDYARBQXNSV-WDEREUQCSA-N 302.400 -0.582 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@H](C)NC(=O)C(C)(C)C 1132141264 HKGRSNFUEMTHHZ-NSHDSACASA-N 312.414 -0.455 30 20 DBED C[C@H]1CC[C@@H](NC(=O)CCN(C)C)CN1CC(=O)NCC#N 1132274628 XKMVBYOCOHXUMA-QWHCGFSZSA-N 309.414 -0.453 30 20 DBED C[C@H]1CC[C@@H](NC(=O)CN2CCCC2)CN1CC(=O)NCC#N 1132489668 LYDJYHSQXNLREZ-UONOGXRCSA-N 321.425 -0.309 30 20 DBED CC#CCN[C@@H](C)C[C@H](C)NC(=O)CCS(=O)(=O)NC 1134351121 CCPLHXHZHDQAFK-RYUDHWBXSA-N 303.428 -0.178 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1nnn(C(C)C)c1C 1135981655 VISGSWIUNLZDLF-UHFFFAOYSA-N 308.386 -0.211 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1ccc2nccn2c1 1147449319 NXHCWSRGDVWIDJ-GFCCVEGCSA-N 313.361 -0.208 30 20 DBED C#Cc1ccc(C(=O)NCCNC[C@H]2CCS(=O)(=O)C2)nc1 1148369960 BNICGIDAUZTCNN-CYBMUJFWSA-N 321.402 -0.183 30 20 DBED C#CCNC(=O)CN1CCCO[C@H](CNC(=O)/C=C/C2CC2)C1 1149520569 GKOUYMSGUNEUIY-LQYUOIDQSA-N 319.405 -0.091 30 20 DBED C=CCCN1CCCO[C@H](CNC(=O)Cn2ncn(C)c2=O)C1 1149921506 PJEUHPSYSPEVTM-CYBMUJFWSA-N 323.397 -0.635 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)[C@H](NC(N)=O)C(C)(C)C)C1 1150607511 UWLFDDZYLNVOSP-STQMWFEESA-N 324.425 -0.090 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@H]1CCc2nnc(C)n2C1 1152091946 WNBSSBDETIZLBS-LBPRGKRZSA-N 320.397 -0.843 30 20 DBED CCN(CC#CCOC)[C@H](C)CNC(=O)[C@@H]1CN(C)C(=O)N1 1154620263 FYVRMLFLHYICAC-OLZOCXBDSA-N 310.398 -0.514 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)c1[nH]c(O)nc1C 1160522405 ZGAFZTXDQSOVLN-JTQLQIEISA-N 309.370 -0.176 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@@H]1CC(=O)N[C@H](CC)C1 1163073639 NMCMLZXTGHTRRE-QWHCGFSZSA-N 324.425 -0.311 30 20 DBED C#CCNCCCC[C@@H](C)NC(=O)[C@@H]1CCS(=O)(=O)N1 1176638620 FTAYLTNHOFCBRT-NEPJUHHUSA-N 301.412 -0.424 30 20 DBED C=CCCCN1CCO[C@H]2CCN(C(=O)Cn3ncnn3)C[C@@H]21 1177004804 CEYJJJLEOHRJLB-KBPBESRZSA-N 320.397 -0.059 30 20 DBED C=CCN1CCO[C@H]2CCN(C(=O)CS(=O)(=O)NC)C[C@H]21 1177169812 FKXABSYLAOQJPW-NEPJUHHUSA-N 317.411 -0.977 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)[C@H]2CCCC(=O)N2)C1 1183497288 VIQVYADPCLTWLY-YNEHKIRRSA-N 322.409 -0.464 30 20 DBED N#CCNC(=O)CN[C@@H]1CCN(C(=O)c2c[nH]nc2C2CC2)C1 1186746936 DVIQWFMNYQLTPO-LLVKDONJSA-N 316.365 -0.269 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)[C@H]2CCNC(=O)C2)C1 1189623502 ZHBRWPMJFFUJGC-STQMWFEESA-N 322.409 -0.653 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC[C@@H](N(C)CC(=O)NCC#N)C1 1189919223 ZKZVXCHPBJWSIK-DOMZBBRYSA-N 308.382 -0.514 30 20 DBED CN(CC(=O)NCC#N)[C@H]1CCN(C(=O)[C@@H]2CC2(F)F)C1 1189997226 ZTYBPIDPDOINEW-UWVGGRQHSA-N 300.309 -0.186 30 20 DBED C[C@@H]1[C@H](C(=O)N2CC[C@@H](N(C)CC(=O)NCC#N)C2)CCN1C 1190238730 OXCPOVMBSDDRII-MGPQQGTHSA-N 321.425 -0.501 30 20 DBED COCC#CCN(C)[C@H]1CCN(C(=O)c2cncnc2O)C1 1190837862 VGIRKAZTEHXPEA-LBPRGKRZSA-N 304.350 -0.022 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(CCCCCC)C[C@H]1O 1192397275 VTUPZKHVVUWCQE-ZIAGYGMSSA-N 309.410 -0.133 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)COCc2ncc(C)o2)C1 1194610582 FGKLPUBHRNVFHN-CHWSQXEVSA-N 307.350 -0.316 30 20 DBED C=CCCCN1C[C@@H](O)[C@H](NC(=O)c2cn(C)c(=O)cn2)C1 1194840480 HMPACKQSYGQSFY-DGCLKSJQSA-N 306.366 -0.479 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCCOC2)C1 1198705919 AYIDRXYLIGDRKW-RBSFLKMASA-N 310.394 -0.386 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CCN(C(=O)CSCC#N)CC1 1199405956 BMADOOIRNDQDRL-GFCCVEGCSA-N 322.434 -0.038 30 20 DBED COCC#CCNC1CCN(C(=O)CS(C)(=O)=O)CC1 1199566589 OVITVLUOHMXPHU-UHFFFAOYSA-N 302.396 -0.739 30 20 DBED C#CCOCCC(=O)N1CCC(NCCn2cncn2)CC1 1200522864 BFKRDFIYMROSFY-UHFFFAOYSA-N 305.382 -0.101 30 20 DBED C=CCCCNC1CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)CC1 1202813108 SJVNMNYWYWCXEE-AWEZNQCLSA-N 324.425 -0.087 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@H](NC(=O)c2ncc[nH]2)C12CCC2 1202856781 MNGCTOMRHQQQGE-RYUDHWBXSA-N 315.377 -0.210 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2cnns2)[C@H](C)C1 1206260776 LVXWIPYJPLJMEF-NXEZZACHSA-N 307.379 -0.662 30 20 DBED C#CCNCC1CCN(C(=O)CN2CC(=O)N(C)C2=O)CC1 1206869250 ZMJIYBNSZXSOHI-UHFFFAOYSA-N 306.366 -0.658 30 20 DBED C=CCCCN1C[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@H](C)C1 1206992835 KGVKIEWUGITQJR-VXGBXAGGSA-N 320.397 -0.220 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 1208373151 GYJFTZZBGBIZLD-ZBFHGGJFSA-N 322.453 -0.097 30 20 DBED C=CCCN[C@@H]1CCCN(C(=O)CNS(=O)(=O)NC)C1 1208756943 BBRSNDBCUCLDNB-LLVKDONJSA-N 304.416 -0.803 30 20 DBED C=CCOCCN[C@@H]1CCCN(C(=O)C2CC(=O)NC(=O)C2)C1 1210117154 RQWDYYXUMPPWQX-CYBMUJFWSA-N 323.393 -0.178 30 20 DBED C=CCCN[C@@H]1CCCN(C(=O)c2cn(CC(N)=O)nn2)C1 1211256703 LWORTHFYYYXQMN-LLVKDONJSA-N 306.370 -0.466 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)CCCC(N)=O)[C@H](C)C1 1211454551 PQJYAFZODBYNPB-FRRDWIJNSA-N 322.409 -0.784 30 20 DBED C=C(C)CCC(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1OC 1212346796 ALCSVNCYFHMRHG-CHWSQXEVSA-N 308.382 -0.202 30 20 DBED COCC#CCN1C[C@@H](NC(=O)c2n[nH]cc2F)[C@H](OC)C1 1213387153 NPRNLKGSSLOZSR-VXGBXAGGSA-N 310.329 -0.372 30 20 DBED C#CCCN[C@@H]1CN(C(=O)[C@H]2CN(C(C)=O)CCO2)C[C@H]1C 1216627233 UAKPODPWFAITIW-BPLDGKMQSA-N 307.394 -0.307 30 20 DBED C#CCCCCCC(=O)N1CCO[C@@H]2CN(CC(N)=O)C[C@@H]21 1218456195 YCQUPAUWZSFIJA-UONOGXRCSA-N 307.394 -0.033 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)CN(C)C(=O)c2cccs2)C1 1219738427 IOUGMKCEKRIVLR-NEPJUHHUSA-N 321.402 -0.385 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)CCc2c(C)ncnc2O)C1 1219941776 PQQPTBCSYSUBKZ-OLZOCXBDSA-N 306.366 -0.229 30 20 DBED C#CCCN1CCC(CNC(=O)CN2C(=O)CN(C)C2=O)CC1 1225372514 UGODZPQTVNAQLF-UHFFFAOYSA-N 320.393 -0.268 30 20 DBED CCNC(=O)NC(=O)[C@H](C)N1CCC(NC(=O)[C@@H](C)C#N)CC1 1226617268 CTJVYPCLMCSZGR-QWRGUYRKSA-N 323.397 -0.039 30 20 DBED C=CCNC(=O)NC(=O)CN1CCC(NC(=O)[C@@H](C)C#N)CC1 1226624976 GCPNLYCSWWQWLB-NSHDSACASA-N 321.381 -0.262 30 20 DBED COCC#CCN[C@@H]1CCCC[C@H]1NC(=O)c1nnn(C)n1 1227999998 MFMWAXIXSCRFEO-VXGBXAGGSA-N 306.370 -0.510 30 20 DBED C=CCN(C(=O)C(=O)NC1CCN(CC(=O)NC)CC1)C(C)C 1257097556 YVGWUTRFUFOSBF-UHFFFAOYSA-N 324.425 -0.264 30 20 DBED C#C[C@H](NC(=O)C(=O)Nc1ccc(=O)n(C)c1)[C@@H]1CCCO1 1320690997 LOHCVZSUSAEYRM-RYUDHWBXSA-N 303.318 -0.379 30 20 DBED COC[C@@H](CO)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N 1325046460 OPSJOWRTJUBUEU-SNVBAGLBSA-N 323.353 -0.428 30 20 DBED CN(C[C@H]1CCOC1)C(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1329478650 NLMJUZIKXRZYBM-TZMCWYRMSA-N 320.393 -0.320 30 20 DBED COC(=O)[C@H]1C[C@H](O)CN(C(=O)C(=O)NCCCCC#N)C1 1332219848 ZADOZYNULFGECF-QWRGUYRKSA-N 311.338 -0.821 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@@H](n2cc(C(=O)O)nn2)C1 1332629708 YJORFZZSNCJPLA-YPMHNXCESA-N 317.349 -0.153 30 20 DBED C#CCN(CC)c1nnc(CC[C@@]2(C)NC(=O)NC2=O)n1C 1341138869 AXAJPGLGVIOAOV-CQSZACIVSA-N 304.354 -0.195 30 20 DBED COCCNC(=O)[C@H](C#N)C(=O)c1ccnc2c1nnn2C 1342598403 UDMYYBBLUIKBAX-SECBINFHSA-N 302.294 -0.552 30 20 DBED CN1CCC[C@H](CCNC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)C1 1345894443 UXAXAGLBZMIFFZ-CJNGLKHVSA-N 322.409 -0.288 30 20 DBED C=CCOCCNC(=O)C(=O)N1CC[C@@H](N2CCOC2=O)C1 1350593975 NOAZFDNPGSRMPZ-LLVKDONJSA-N 311.338 -0.642 30 20 DBED CN1CC[C@@H]1CNC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1354907190 WKMXINUGRKNNKE-OLZOCXBDSA-N 305.382 -0.995 30 20 DBED C#CCN(CC#CC)c1nnc(C2=NNC(=O)C2)n1CCOC 1355269921 RYAWSRLGKHCDBW-UHFFFAOYSA-N 314.349 -0.389 30 20 DBED C[C@@H](C(=O)N1CC[C@@H](c2nncn2C)C1)n1cnc(C#N)n1 1363355101 MUYJTJIQIYJFLJ-VHSXEESVSA-N 300.326 -0.145 30 20 DBED N#Cc1cn(CCNC(=O)CCCn2cccn2)c(=O)nc1O 1363485882 ZQDQCHSMHUIGFZ-UHFFFAOYSA-N 316.321 -0.386 30 20 DBED CC(=O)N(C)C1CCN(C(=O)NCCn2cnc(C#N)n2)CC1 1365587430 ZYPHLERPDUCHMJ-UHFFFAOYSA-N 319.369 -0.198 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CCN(C(=O)Cn2ccccc2=O)C1 1372013859 PATPBNUZJXZKJK-NWDGAFQWSA-N 302.334 -0.275 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)CCn2cnnn2)CCCC1 1375316210 TUUJRDGGQIUFRC-NSHDSACASA-N 319.369 -0.232 30 20 DBED C[C@@H](C#N)C(=O)N1CC([C@H](C)NC(=O)CCn2cnnn2)C1 1383311705 JLQCDCLHLLUGEW-UWVGGRQHSA-N 305.342 -0.814 30 20 DBED COCC(=O)N(C)CC(=O)NC[C@H](C)CNC(=O)[C@@H](C)C#N 1388446336 HENSDHAOPQBZIP-QWRGUYRKSA-N 312.370 -0.881 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)c2cnsn2)C1 1401052735 OATWIUJYQHQAQJ-UFBFGSQYSA-N 309.351 -0.609 30 20 DBED CCC[C@@H](NC(N)=O)C(=O)N[C@H]1C[C@H](NC(=O)[C@@H](C)C#N)C1 1407818690 FVPLSIXWYHNRRH-XWLWVQCSSA-N 309.370 -0.254 30 20 DBED C[C@H](NC(N)=O)C(=O)N1CCC(CN(C)C(=O)[C@H](C)C#N)CC1 1409008330 FLGHDUYHRVEZJP-MNOVXSKESA-N 323.397 -0.100 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1cc(C2CC2)n(C)n1 1410123675 JWSMOTCQNKMMLS-GXSJLCMTSA-N 319.365 -0.336 30 20 DBED COC[C@@H](OC)C(=O)N[C@@H](C)CNC(=O)c1cc(C#N)c[nH]1 1410461474 ITVFPYHKUZWWME-JOYOIKCWSA-N 308.338 -0.218 30 20 DBED CO[C@](C)(CNC(=O)Cn1cc(C#N)c(O)nc1=O)C1CC1 1412173830 NHDVEQPKHOKNNH-CQSZACIVSA-N 306.322 -0.248 30 20 DBED CNC(=O)[C@@H](O)CNC(=O)c1cnc(C(F)(F)F)c(C#N)c1 1413848519 KRCGKAQWHFRANH-QMMMGPOBSA-N 316.239 -0.191 30 20 DBED CCc1c(C(=O)NC[C@@H](O)CNC(=O)[C@H](C)C#N)ccn1C 1416783694 YTFNWCXETCYDFY-MNOVXSKESA-N 306.366 -0.046 30 20 DBED C[C@@H](CNC(=O)[C@@H](C)C#N)NC(=O)c1cnc2[nH]nnc2c1 1416907989 WRPXRULSJFGDDJ-YUMQZZPRSA-N 301.310 -0.253 30 20 DBED CN(CC(=O)OC(C)(C)C)C(=O)Cn1cc(C#N)c(O)nc1=O 1417730305 PNIJWUOQZBXKRU-UHFFFAOYSA-N 322.321 -0.379 30 20 DBED C[C@H](C#N)C(=O)NCCN1CCN(Cc2csnn2)CC1 1417916511 HJVUCERPYZSFQE-LLVKDONJSA-N 308.411 -0.068 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNCC(=O)NCc1ccco1 1422270587 YUUOJDJBBIFXBZ-WDEREUQCSA-N 308.338 -0.878 30 20 DBED C=C(Br)CNC[C@@H](O)CNC(=O)[C@H]1C[C@H]1C(N)=O 1422362511 QGKFKLVVJVUXFY-HLTSFMKQSA-N 320.187 -0.917 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](NC(=O)CCN2CCCC2=O)C1 1429843559 NOZLHCOCTBITKQ-NWDGAFQWSA-N 306.366 -0.124 30 20 DBED N#Cc1cc(C(=O)N2CC(NC(=O)CCc3cnn[nH]3)C2)c[nH]1 1450522502 MLPBRSGZQPOQLG-UHFFFAOYSA-N 313.321 -0.422 30 20 DBED N#Cc1cn(CC(=O)N[C@@H]2CCO[C@H]2C2CC2)c(=O)nc1O 1455594234 RWCSGGAXPIOYKW-PWSUYJOCSA-N 304.306 -0.496 30 20 DBED CC(C)OC(=O)[C@@H]1CCCN1c1[nH]c(=O)n(C)c(=O)c1C#N 1472776897 CVANRCUCSFFXOE-JTQLQIEISA-N 306.322 -0.134 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](C)CN(C)C(=O)Cn1ccccc1=O 1487775323 UYSJQLFUWGPPRD-NWDGAFQWSA-N 304.350 -0.029 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC[C@H](NC(=O)c2cncnc2)C1 1490432493 PJSQUPVHCVOJKX-OCCSQVGLSA-N 315.377 -0.191 30 20 DBED CCNC(=O)CN1CCOC[C@@H]1CNC(=O)c1cc(C#N)c[nH]1 1501771358 YNZGDCWMOZFFJO-LBPRGKRZSA-N 319.365 -0.547 30 20 DBED C#CCOCCC(=O)NC1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)O)CC1 1573310926 FHLNPYSGXXRYTF-OLZOCXBDSA-N 322.361 -0.146 30 20 DBED C#C[C@H](CC)NC(=O)N1CCN([C@]2(C(=O)O)CCOC2)CC1 1588369206 FKBDMNZDWJIFQP-IUODEOHRSA-N 309.366 -0.031 30 20 DBED C#CC[C@H](NC(=O)[C@@](C)(O)Cn1ccc(C)cc1=O)C(=O)O 1588399374 UKJHRDKPBRHLQJ-NHYWBVRUSA-N 306.318 -0.500 30 20 DBED C#CCCCNC(=O)N1CCN([C@]2(C(=O)O)CCOC2)CC1 1588446266 FOGGOUMKYIETNP-OAHLLOKOSA-N 309.366 -0.029 30 20 DBED C=C(C)CN(CC)C(=O)COC(=O)Cn1cc(C(=O)O)nn1 1588563440 VBNUHAPTKBHYKH-UHFFFAOYSA-N 310.310 -0.056 30 20 DBED C[C@H](C#N)C(=O)NCC1(N=c2cc[nH]cc2-c2nn[nH]n2)CC1 1588929303 VPOFTGMOKXRZDC-SECBINFHSA-N 312.337 -0.096 30 20 DBED C[C@@H](C(=O)N1CCC[C@H](C#N)C1)n1cnc(-c2nn[nH]n2)n1 1588951669 IRPCHCXAVIAQAZ-DTWKUNHWSA-N 301.314 -0.219 30 20 DBED N#C[C@@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)C1CCCC1 1592669788 UKNVBXJUHCJSTD-SECBINFHSA-N 301.314 -0.343 30 20 DBED N#CCSCC(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)O)CC1 1601076333 PHRYUJSBAOBNBF-ZJUUUORDSA-N 311.363 -0.365 30 20 DBED N#Cc1cc(CNS(=O)(=O)N2CCC[C@H]2C(=O)O)ccn1 1605591817 BAMWJKQRWUTNAS-NSHDSACASA-N 310.335 -0.163 30 20 DBED Cn1cc(S(=O)(=O)N(CC#N)CCC(=O)O)cc1C(N)=O 1608120105 QXJPHWNLSDTAMV-UHFFFAOYSA-N 314.323 -0.887 30 20 DBED N#CCCN1CCN(C(=O)C(=O)N2CCC[C@H](C(=O)O)C2)CC1 1608184282 NEAOXMPGZXZVDX-LBPRGKRZSA-N 322.365 -0.633 30 20 DBED N#Cc1nc(=N[C@H]2C[C@H](NC(=O)[C@H]3C[C@@H]3C(=O)O)C2)cc[nH]1 1608225541 QODVIJAIUDNAHF-XKNYDFJKSA-N 301.306 -0.450 30 20 DBED C[C@@H](CNc1c(C#N)cccc1-c1nn[nH]n1)S(N)(=O)=O 1609114027 RLNIGJXDTRDHKQ-ZETCQYMHSA-N 307.339 -0.173 30 20 DBED CN(C)S(=O)(=O)CCCn1cnc(-c2nn[nH]n2)c1C#N 1609268684 CDEIVOAPZBYOPQ-UHFFFAOYSA-N 310.343 -0.784 30 20 DBED N#CCC1(O)CN(S(=O)(=O)c2cnnn2-c2ccccc2)C1 1646028433 IECZGPQFVPOUDF-UHFFFAOYSA-N 319.346 -0.084 30 20 DBED N#Cc1ccc(C(=O)NC[C@H](O)CN2CCCC2=O)cc1O 1647155242 KPZBRRCSPFJGSN-LBPRGKRZSA-N 303.318 -0.023 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)N(C)[C@@H]1CCN(CC(N)=O)C1 1753445465 MPIXZKDRLBBWTC-OLZOCXBDSA-N 310.398 -0.525 30 20 DBED CCc1ncncc1C(=O)N[C@@H](C)CCNCC(=O)NCC#N 1754022824 JUABLYUURDZOIS-NSHDSACASA-N 318.381 -0.223 30 20 DBED C#CCNC(=O)CNC/C=C\CNC(=O)c1cnc(C)cn1 1754092528 SPHUECGYWTXWOC-PLNGDYQASA-N 301.350 -0.590 30 20 DBED C=CCn1cc(C(=O)NCC2(NCc3cn(C)nn3)CC2)nn1 1754528674 QKRHYYIVZVDUDG-UHFFFAOYSA-N 316.369 -0.355 30 20 DBED C#CCOCCC(=O)N1C[C@@H]2CN(Cc3nc(O)n[nH]3)C[C@@H]2C1 1754843209 ZCQCBIIFDRPPMV-TXEJJXNPSA-N 319.365 -0.560 30 20 DBED C=CCNC(=O)CN1CCC[C@@](CO)(NC(=O)[C@H](C)OC)C1 1754852712 MSHUZXBBVUZHME-SWLSCSKDSA-N 313.398 -0.733 30 20 DBED Cn1cc(CCC(=O)N[C@]2(CO)CCCN(CC#N)C2)nn1 1754863531 XBLWFENEDCWRHG-CQSZACIVSA-N 306.370 -0.786 30 20 DBED C#CCNCCN(CCO)C(=O)[C@H]1CC(=O)N(C(C)(C)C)C1 1754884110 SXXKGIVBKHYDSR-ZDUSSCGKSA-N 309.410 -0.323 30 20 DBED CC/C(C)=C\C(=O)N1CCO[C@H](CNCC(=O)NCC#N)C1 1755002841 ZTQTWMVZLASRSH-LLBKUYECSA-N 308.382 -0.201 30 20 DBED COCC#CCN1CC2(C[C@@H](NC(=O)CC3(O)CCC3)CO2)C1 1755062324 XMADCQYIIQPLOM-CQSZACIVSA-N 322.405 -0.099 30 20 DBED N#CCNC(=O)CN1CC2(C[C@H](NC(=O)[C@@H]3CC34CC4)CO2)C1 1755064392 SQJBRFRENGSBFT-RYUDHWBXSA-N 318.377 -0.614 30 20 DBED C#CCCN[C@]1(CO)CCCN(C(=O)CN2C(=O)CCC2=O)C1 1755090592 BWIHXNLYQMFOHP-MRXNPFEDSA-N 321.377 -0.898 30 20 DBED COCC#CCN1CC(N2CCN(C(=O)[C@H]3CCOC3)CC2)C1 1755144967 XHFDJJFHDFPMSU-HNNXBMFYSA-N 321.421 -0.499 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)N(C)C[C@H](C)NCCO 1755617948 GEOCIJBYQOPLOB-NSHDSACASA-N 300.403 -0.321 30 20 DBED C#CCNC[C@H](O)CN(C)C(=O)C(C)(C)NC(=O)NCC=C 1755796874 VTPBDEYSLUUIPV-LBPRGKRZSA-N 310.398 -0.708 30 20 DBED COCC#CCN(C)C[C@@H](O)CN(C)C(=O)COC(C)C 1755799036 GKDKTWWEAZIDLI-CQSZACIVSA-N 300.399 -0.188 30 20 DBED C=CCOCC(=O)NC[C@@H](CO)NC(=O)[C@H](F)C(F)(F)F 1756520534 YFQQISSDGLMCNI-CBAPKCEASA-N 316.251 -0.317 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H](O)[C@H](NC(=O)C2(CC)CC2)C1 1757208701 TWLYPNUSHKCQJD-NEPJUHHUSA-N 321.377 -0.996 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)c1ccco1 1792524196 YHJHHWIBMSKVJJ-BAESOJJISA-N 318.329 -0.464 30 20 DBED C#CC(=O)N1CC2(CCCN2C(=O)c2cnncc2C(=O)O)C1 1844459978 MMOAUKIMJHSJQP-UHFFFAOYSA-N 314.301 -0.375 30 20 DBED N#CCNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 9343355 HBVFCPCTQYXBNB-UHFFFAOYSA-N 312.307 -0.097 30 20 DBED CC[C@H](C#N)OC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 84698147 YRVWSRLEHHSQDD-MRVPVSSYSA-N 305.294 -0.721 30 20 DBED C=C(C)CN1CCC(NC(=O)N2CCO[C@H](C(N)=O)C2)CC1 106340961 UJWZIFUJVRILMU-ZDUSSCGKSA-N 310.398 -0.077 30 20 DBED Cn1c(NC[C@H](O)c2ccncc2)c(C#N)c(=O)n(C)c1=O 128483885 YLZSQRRSNWQIGW-NSHDSACASA-N 301.306 -0.504 30 20 DBED C/N=C(/NC[C@H]1CN(C)CCO1)NC[C@@](C)(O)c1ccco1 262300272 AHDBRPJGPGQPIY-SWLSCSKDSA-N 310.398 -0.017 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@](C)(O)CCC)C1=O 266605402 ZYHCWNACEXXLBI-CQSZACIVSA-N 311.338 -0.370 30 20 DBED CO/N=C(/C(=O)N1CCN(S(C)(=O)=O)CC1)c1ccco1 266870621 XIYSQKWODGJNFM-ACCUITESSA-N 315.351 -0.266 30 20 DBED CC[C@H](C#N)NC(=O)[C@@H](C)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 270253385 GFHXTFAZECKVHQ-ZKSVUJDCSA-N 305.334 -0.044 30 20 DBED CN(C)C(=O)CNC(=O)C(=O)N1CCc2ccc(C#N)cc21 270260291 YVWZTFDPSQEFEL-UHFFFAOYSA-N 300.318 -0.348 30 20 DBED C#CCNS(=O)(=O)c1cccc(C(=O)NN2CCOCC2)c1 273890019 PIKISFWTQNKCOS-UHFFFAOYSA-N 323.374 -0.425 30 20 DBED C=CCCO[C@@H](C)C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)OC 273943636 DHRXDRUMYOIVHC-WDEREUQCSA-N 319.379 -0.234 30 20 DBED C=C(C)CN(CC)C(=O)CN1[C@@H](C)C(=O)N(C)S1(=O)=O 282874688 CIARDKUESXDWFF-JTQLQIEISA-N 303.384 -0.182 30 20 DBED CC[C@@H](/N=C(/O)c1cn(C)c(=O)nc1O)C(=O)N1CCOCC1 328602248 GSUIUYWEJJJFTN-SNVBAGLBSA-N 324.337 -0.572 30 20 DBED CCC(=O)N1CC[C@H](N/C(O)=N/[C@H](C)C(=O)NCCF)C1 330374880 NIOADJIXDOYGOL-ZJUUUORDSA-N 302.350 -0.025 30 20 DBED COCCN1CCC(N/C(O)=N/C[C@@]2(O)CCOC2)CC1 330461930 XRRVLXOLIJLNLK-AWEZNQCLSA-N 301.387 -0.248 30 20 DBED CC(=O)N[C@H](CC(=O)NCC#Cc1cccc(F)c1)C(N)=O 338241191 LUKKMPLBMFSAAV-CYBMUJFWSA-N 305.309 -0.327 30 20 DBED CC(C)[C@H](C#N)NC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cnn(C)c1 348449510 NHEHDFDVGSZXAU-FPMFFAJLSA-N 319.365 -0.017 30 20 DBED C=CCOC[C@@H]1NC(=O)N(CCS(=O)(=O)NC(C)C)C1=O 348516889 RNCRQPDDIFLBPM-JTQLQIEISA-N 319.383 -0.563 30 20 DBED CCN(C)CCNC(=O)C(=O)Nc1cc(C)n(CCC#N)n1 348796362 HASLUTSBZGTWHV-UHFFFAOYSA-N 306.370 0.112 30 20 DBED C=CC[C@@H](CO)CNC(=O)C(=O)Nc1cncnc1N(C)C 355328703 XGPJGHSPCMQGKK-SNVBAGLBSA-N 307.354 -0.218 30 20 DBED C=CCOC[C@H](NS(=O)(=O)[C@H](C)C(=O)N(C)C)C(=O)OC 360605021 PAUBUUGIPBTSQQ-ZJUUUORDSA-N 322.383 -0.873 30 20 DBED C=CCOC[C@H](NS(=O)(=O)c1cn(C)c(C)n1)C(=O)OC 360615585 YWHOXJQGJNGGDZ-JTQLQIEISA-N 317.367 -0.249 30 20 DBED C#CCNC(=O)C1CCN(C(=O)[C@@H]2CN(CC)CCO2)CC1 365748468 HPOCNSVBIBRRIM-AWEZNQCLSA-N 307.394 -0.305 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@]3(CCOC3)C2)C1=O 370363425 QDEMYPWRTXELJH-HNNXBMFYSA-N 321.333 -0.398 30 20 DBED CC[C@H]1C(=O)NCCN1S(=O)(=O)N(CC)C[C@@H](C)C#N 407959910 XMAXZICLQGFNQQ-QWRGUYRKSA-N 302.400 -0.077 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@]2(C)CCOC2)CC1 490932802 AMDWUKLCFDMEJH-MRXNPFEDSA-N 307.394 -0.303 30 20 DBED C[C@H](CNC[C@@H](O)CN(C)CCC#N)CN1CCN(C)CC1 520798440 VXKBYIFZYKUGAL-HZPDHXFCSA-N 311.474 -0.334 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)NCCN2CCOCC2)nc1 522029126 OZOXLGQWBRHKCC-UHFFFAOYSA-N 317.349 -0.869 30 20 DBED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCN(C)C(=O)C2)n1 537000226 UXZSPTKTAHNJRN-UHFFFAOYSA-N 318.337 -0.425 30 20 DBED N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@@H](CN)C2CC2)cc1 563156894 YIRLIBYSUHWPQR-ZDUSSCGKSA-N 322.390 -0.310 30 20 DBED COC(=O)C1(CNC(=O)C(=O)Nc2cccc(C#N)n2)CC1 564948092 SKOUMUJQQDKQBD-UHFFFAOYSA-N 302.290 -0.039 30 20 DBED N#Cc1cc([N+](=O)[O-])cnc1N1CCN2C(=O)[C@H](N)C[C@@H]2C1 566491122 QVODNVGYEDQKGF-GHMZBOCLSA-N 302.294 -0.390 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H](CCC(=O)O)C(=O)O 573095968 NWMBYGLDQFXABM-BDAKNGLRSA-N 321.355 -0.380 30 20 DBED COC[C@@H]1CCCN1C(=O)C(=O)NC1CCN(CC#N)CC1 588126275 HJLQKGYGMMHDRU-ZDUSSCGKSA-N 308.382 -0.272 30 20 DBED CNS(=O)(=O)c1ccccc1S(=O)(=O)N1CC(C#N)C1 590092612 XQRDZCOEFJLRMF-UHFFFAOYSA-N 315.376 -0.261 30 20 DBED N#CC[C@]1(O)CCN(C(=O)Cn2nnc3ccccc3c2=O)C1 592839676 RZEFDTRTAIUQPV-HNNXBMFYSA-N 313.317 -0.331 30 20 DBED N#Cc1ccc(S(=O)(=O)N2C[C@@H]3COC[C@]3(C(=O)O)C2)cn1 594682727 CQFLOUUIKHESDV-NOZJJQNGSA-N 323.330 -0.325 30 20 DBED N#Cc1ccc(N2CCC[C@@H]2C(=O)NC[C@H](O)C(N)=O)cc1 597585250 IJXQVRUBBZVJEX-OLZOCXBDSA-N 302.334 -0.511 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(C/C=C(\C)C(=O)O)c1=O 736118083 PLUAKOMZIHVRJJ-UXBLZVDNSA-N 307.306 -0.425 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 751653649 WKSMLLSIOSPPJH-VHSXEESVSA-N 304.306 -0.556 30 20 DBED Cn1c(S(=O)(=O)N2CCN(CC#N)CC2)cnc1Cl 769408681 QFCQMZFJICMVGK-UHFFFAOYSA-N 303.775 -0.097 30 20 DBED C#CCNC(=O)CN[C@H](C(=O)OC)c1ccc(OC)c(O)c1 770688607 NNHQCQGQGGXWBV-AWEZNQCLSA-N 306.318 -0.046 30 20 DBED CN(C)c1c(C=NNC(=S)NC2CC2)c(=O)n(C)c(=O)n1C 807949867 MWXFRLHSGXUYLX-UHFFFAOYSA-N 324.410 -0.890 30 20 DBED C#CCNC(=O)CN1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 808765675 GGRAEWUGSQDVER-LBPRGKRZSA-N 313.423 -0.470 30 20 DBED O=C(N[C@H]1CCCN(O)C1=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 816756321 VILKSHXTWHPIFW-SCZZXKLOSA-N 307.310 -0.741 30 20 DBED C#Cc1cccc(CNC(=O)C(=O)N2C[C@@H](CO)O[C@H](C)C2)c1 817845452 GFMOAKJEKKTIIV-DOMZBBRYSA-N 316.357 -0.108 30 20 DBED C#CCCCNC(=O)C(=O)N1CC[C@H](CN2CCCC2=O)C1 828391070 GNXGFYJHUYISHH-CYBMUJFWSA-N 305.378 -0.013 30 20 DBED C#CCN1CCN(C(=O)CN2CC[C@@H](OC)C[C@@H]2C(=O)O)CC1 833363982 CJBRSAIZBNCJLI-ZIAGYGMSSA-N 323.393 -0.672 30 20 DBED C/N=C(/NCCNc1cnccn1)NCCN1CCOCC1 848989733 WWAQPIRAXNKOSE-UHFFFAOYSA-N 307.402 -0.614 30 20 DBED CC(C)(C)n1nnc(CC(=O)NS(=O)(=O)CCCC#N)n1 850926610 PODCUVAMZKICEC-UHFFFAOYSA-N 314.371 -0.280 30 20 DBED C#C[C@@H](NS(=O)(=O)c1cc(C(=O)OC)no1)[C@@H]1CCCO1 859114241 GPHCLVHQNPZMIS-SCZZXKLOSA-N 314.319 -0.080 30 20 DBED C#CCN1CCC[C@H](NC(=O)NCc2nnnn2CC2CC2)C1 884273196 LMSHJLOWUFHSLA-ZDUSSCGKSA-N 317.397 -0.020 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC(NS(=O)(=O)CC)CC1 903005132 SDZMGHLVRYDEKI-NSHDSACASA-N 301.412 -0.472 30 20 DBED C=CCN1CCC(NC(=O)C(=O)N2C[C@@H]3CCNC[C@@H]3C2)CC1 911235318 BXBAFODPBXXVLO-UONOGXRCSA-N 320.437 -0.179 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)CN(C)C(=O)[C@@H](C)n1cccn1 920546768 DMQWVCDGFRNWAT-NEPJUHHUSA-N 320.349 -0.416 30 20 DBED O=C(NCC#CCO)NCCCN1C(=O)c2ccccc2C1=O 923768474 HBSBUHFSEAHYOB-UHFFFAOYSA-N 315.329 -0.032 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](NC(=O)c2cn3c(n2)COCC3)C1 938190714 PAGNEKRLFRSHSE-MNOVXSKESA-N 317.349 -0.096 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@H](CNC(=O)c2csc(O)n2)C1 944737585 YLIGTFPSQPVHKH-RKDXNWHRSA-N 324.362 -0.034 30 20 DBED C#Cc1cncc(C(=O)NC[C@H]2CN(C(=O)COC)CCO2)c1 944763619 BCALDAUAQYGZRM-AWEZNQCLSA-N 317.345 -0.334 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@H](CNC(=O)c2ccc(O)nc2)C1 944773457 WDNZFRBGZUANRX-CMPLNLGQSA-N 318.333 -0.096 30 20 DBED C=CCN1CC[C@@H](NC(=O)CN2CCN(C)C(=O)C2)C[C@H]1C 947463417 HAWJOIOGNDJALK-ZIAGYGMSSA-N 308.426 -0.085 30 20 DBED CC(=O)N1CC(C(=O)N[C@H]2CCCN(C(=O)[C@@H](C)C#N)C2)C1 951868512 UFTIXWYHAWPPIJ-GWCFXTLKSA-N 306.366 -0.268 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@](C)(NC(=O)c2nccnc2N)C1 956778104 DSIODRARNAJVHF-YMTOWFKASA-N 302.338 -0.061 30 20 DBED CC#CCN1C[C@H](CNC(=O)c2c(C)ncnc2O)[C@@H](O)C1 958345487 NWCRZSOBQPEPOB-RYUDHWBXSA-N 304.350 -0.464 30 20 DBED Cn1nncc1CN1C[C@H]2[C@H](NC(=O)c3ccc(C#N)[nH]3)[C@H]2C1 958601816 LUJCFFHBJGGHLS-IMRBUKKESA-N 311.349 -0.125 30 20 DBED CC#CCN1C[C@H]2C(NC(=O)Cc3nc4ncccn4n3)[C@@H]2C1 962558205 VCRUJISEWDBQHL-VXGBXAGGSA-N 310.361 -0.264 30 20 DBED CCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)c(C)n1 963163103 ULWNLXMUJQTXQD-WQAKAFBOSA-N 319.365 -0.327 30 20 DBED Cc1[nH]nc(C(=O)NC[C@H]2COCCN2C(=O)[C@H](C)C#N)c1O 964157176 ULJGZAHVBSRFIM-SCZZXKLOSA-N 321.337 -0.459 30 20 DBED Cc1nn[nH]c1C(=O)N1CC2(C1)CN(C(=O)[C@H](C)C#N)CCO2 965471761 BIIXDZBWBNRIFS-SECBINFHSA-N 318.337 -0.674 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(C[C@H](NC(=O)c3cnn(C)c3)CO2)C1 965620375 XAHMSYMESXAPOT-JQWIXIFHSA-N 317.349 -0.321 30 20 DBED C#CCN1CC[C@H](C)[C@@H](NC(=O)CN2CCC(=O)NC2=O)C1 968513543 MOXISAGQYWLMBI-RYUDHWBXSA-N 306.366 -0.612 30 20 DBED N#CCN1C[C@@H]2C(CNC(=O)[C@H]3CCc4nnc(O)n4C3)[C@H]2C1 978410445 POVHGCHEJYXAPS-MVWJERBFSA-N 316.365 -0.636 30 20 DBED N#CCN1C[C@H]2C[C@H](NC(=O)c3nnc(O)nc3O)CC[C@H]2C1 980146752 URIAQTMHBGAXPH-IVZWLZJFSA-N 318.337 -0.363 30 20 DBED C=CCN[C@@H]1CCC[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C1 981125110 QLZFZDUZQNECDF-OLZOCXBDSA-N 320.393 -0.250 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)C(N)=O)C1 983209228 XUSMBGISYRJLMK-TUAOUCFPSA-N 309.366 -0.582 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H](N(C)C(=O)CN2CCOCC2)C1 984584830 JDYALXVVACLOAA-KGLIPLIRSA-N 322.409 -0.072 30 20 DBED C#CCN[C@@H]1C[C@@H](C)N(C(=O)CN2C(=O)NC(=O)C2(C)C)C1 989647234 UGHWWUBUUSSOFR-GHMZBOCLSA-N 306.366 -0.471 30 20 DBED C=CCn1cc(C(=O)N2CC(NC(=O)[C@@H]3CCOC3)C2)nn1 990418612 MQOSTMQGYDUEFG-SNVBAGLBSA-N 305.338 -0.559 30 20 DBED Cc1csc(=O)n1CC(=O)NC1CN(C(=O)C#CC2CC2)C1 991383193 BAYKVAMJMPZLIX-UHFFFAOYSA-N 319.386 -0.041 30 20 DBED C#Cc1cncc(C(=O)N2CC(n3cc(CNC(C)=O)nn3)C2)c1 994741943 ZHZWVPUFJMYXFP-UHFFFAOYSA-N 324.344 -0.012 30 20 DBED C=C(C)CN1CC=C(CNC(=O)c2cn(CC(N)=O)nn2)CC1 1001471139 DTGVRYOLMPYYCD-UHFFFAOYSA-N 318.381 -0.299 30 20 DBED C[C@H]1CC(=O)N[C@@H](C(=O)NCC2CN(C(=O)C#CC3CC3)C2)C1 1002210266 MIADZJKYGOOOMK-BXUZGUMPSA-N 317.389 -0.111 30 20 DBED CN(C[C@H]1CCCN1C(=O)CC(N)=O)C(=O)c1ccc(C#N)[nH]1 1002287658 BQGKKFNZVWYGNY-LLVKDONJSA-N 317.349 -0.175 30 20 DBED C[C@@H](C#N)C(=O)N1CC(CNC(=O)[C@H]2CCc3nncn3C2)C1 1002469425 INXUCJAKZVREFZ-JQWIXIFHSA-N 316.365 -0.425 30 20 DBED C=C[C@@](C)(CC)C(=O)N1CC(CNC(=O)[C@H]2CNC(=O)N2)C1 1003948827 YAADLFLBLAGTNL-ABAIWWIYSA-N 308.382 -0.155 30 20 DBED C[C@H]1[C@@H](NC(=O)Cn2nccn2)CCN1C(=O)C#CC1CC1 1011748570 WAFIPLQHSWVCBI-AAEUAGOBSA-N 301.350 -0.203 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2C(NC(=O)c3ccc(O)nn3)[C@@H]2C1 1012724883 XYSLUAOPCQZERV-IWSPIJDZSA-N 301.306 -0.472 30 20 DBED CC#CCN1CC[C@@H](NC(=O)Cn2nc3ccccn3c2=O)C1 1015460766 VAIAOEGEAFYQFT-CYBMUJFWSA-N 313.361 -0.290 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](NCc2cc(=O)n3nccc3[nH]2)C1 1018631675 HOXNUYHUNCIKLN-MNOVXSKESA-N 314.349 -0.127 30 20 DBED C=C(Cl)CN[C@H]1CCN(C(=O)Cn2c(O)nnc2O)C1 1019709408 CZKWXJRCHTZXLA-QMMMGPOBSA-N 301.734 -0.368 30 20 DBED N#Cc1cccc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3CNC(=O)N3)C2)c1 1022629285 ACVMIMLWXKINCL-MJBXVCDLSA-N 313.361 -0.024 30 20 DBED C=C(C)CN[C@H]1C[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 1022798898 HLZQPIIXMROMFQ-PHIMTYICSA-N 306.366 -0.490 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2ncc[nH]2)C1 1025300672 JUAXSWVVXCMZMJ-GHMZBOCLSA-N 306.366 -0.148 30 20 DBED C=CCN1CC[C@H](N2CCC[C@H]2CNC(=O)c2cnn[nH]2)C1=O 1027991429 CLBSRJCLVOCIPT-AAEUAGOBSA-N 318.381 -0.214 30 20 DBED C#CCCN1CC[C@@H](CNC(=O)[C@H]2CCN(C)S2(=O)=O)C1 1028862116 LZURAAMNOPIFHN-QWHCGFSZSA-N 313.423 -0.518 30 20 DBED C#CCN1[C@H]2CC[C@H]1CN(C(=O)[C@H](C)N1C(=O)CCC1=O)C2 1029328815 BCPZTDOSJKVUPU-AVGNSLFASA-N 303.362 -0.168 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)Cc3cnn(C)c3)C2)C1=O 1030143387 LVWMLNITHHXLSL-CQSZACIVSA-N 317.393 -0.450 30 20 DBED C[C@@H]1CN(C(=O)c2cc(=O)n3[nH]cnc3n2)CC[C@H]1NCC#N 1036252127 AITYIYGRZPLKCT-NXEZZACHSA-N 315.337 -0.619 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)Cn3ncn(C)c3=O)CC[C@@H]21 1036753776 WBXDRPHVACBLLD-OLZOCXBDSA-N 303.366 -0.862 30 20 DBED C=C(Cl)CN1C[C@H]2C[C@H]1[C@@H]2NC(=O)C1CC(=O)NC(=O)C1 1037616327 CYLVPKBMRBXZDX-GBIKHYSHSA-N 311.769 -0.019 30 20 DBED O=C(C#CC1CC1)NC[C@@]1(O)CCN(C(=O)C2=CCOCC2)C1 1039681011 RSEJRNQSZRVRMU-KRWDZBQOSA-N 318.373 -0.174 30 20 DBED Cc1c[nH]c(C(=O)NC[C@]2(O)CCN(C(=O)C#CC3CC3)C2)n1 1039832990 VEFWKWPXABJYFY-MRXNPFEDSA-N 316.361 -0.175 30 20 DBED C#CCOCCC(=O)N1CC[C@@](O)(CNC(=O)C2(C)CC2)C1 1040077122 WBOBQYTYRDXEHU-MRXNPFEDSA-N 308.378 -0.094 30 20 DBED C#CCCN1CC[C@]2(CCN(C(=O)CN3CCOCC3=O)C2)C1 1041363999 YCHYRAMAOYBNGX-KRWDZBQOSA-N 319.405 -0.207 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2C(=O)OC)C1 1041952331 PYKGVUZYKCDYNN-GHMZBOCLSA-N 310.350 -0.549 30 20 DBED N#Cc1ccc(C(=O)NCC2(O)CN(C(=O)[C@@H]3CCCO3)C2)[nH]1 1042604671 DPMPKKPNLLRSJW-LBPRGKRZSA-N 318.333 -0.632 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)Cn2ccnc2)C1 1042807103 OEFCOTPMBWJWOE-UHFFFAOYSA-N 304.350 -0.624 30 20 DBED Cc1cc(C(=O)N2CC(O)(CNC(=O)C#CC(C)C)C2)no1 1042936294 DJEYGSYSSUDKHV-UHFFFAOYSA-N 305.334 -0.054 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2cccn2C)C1 1043036114 JKZGKBVQSVFHPV-LBPRGKRZSA-N 319.361 -0.634 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(O)(CNC(=O)c2cc[nH]c2)C1 1043384704 HVYZLXHKPYLDFX-AWEZNQCLSA-N 307.350 -0.355 30 20 DBED N#Cc1cnc(N2C[C@H](O)[C@H](NC(=O)Cc3ccc[nH]3)C2)cn1 1043984192 CYYRCBCNVDISNG-OLZOCXBDSA-N 312.333 -0.415 30 20 DBED C=CCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCC(=O)N2C)C1 1044931004 VDZQOGKIZZSDDW-LBPRGKRZSA-N 323.393 -0.347 30 20 DBED C=C(C)C[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2ncn(C)n2)C1 1045055036 JVIJCVSNBDIIFM-LLVKDONJSA-N 321.381 -0.280 30 20 DBED C=C[C@@H](C)[C@@H](C)C(=O)N1CC(O)(CNC(=O)C2(C(N)=O)CC2)C1 1045493327 FUWDPTKDNOAZQO-GHMZBOCLSA-N 323.393 -0.600 30 20 DBED CCCN1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@H](C)C#N)C1 1045559733 OXAHSWXYXFHOMN-OLZOCXBDSA-N 322.409 -0.290 30 20 DBED C#CCN1CC[C@@H](N2CCN(C(=O)CN3CCOCC3)CC2)C1 1046022750 VHBCMKYLPDPMFQ-MRXNPFEDSA-N 320.437 -0.830 30 20 DBED C#CCN1C[C@H]2C[C@@H](NC(=O)c3cc(=O)n(C)cn3)C[C@H]1C2 1047087667 DSPGSNWGOZSXRG-YNEHKIRRSA-N 300.362 -0.004 30 20 DBED CN(C(=O)c1cccn2c(O)nnc12)[C@H]1CN(CC#N)C[C@@H]1O 1047597042 FTPLPJBAOHQGMK-QWRGUYRKSA-N 316.321 -0.924 30 20 DBED COC[C@H](C)C(=O)N(C)[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 1048547426 IRTWJOHAFAQPMN-UBHSHLNASA-N 308.378 -0.288 30 20 DBED CC#CCN1C[C@H]2CN(C(=O)Cn3c(O)nnc3O)C[C@H]2C1 1049193112 VUWUZYOBXBCFEY-PHIMTYICSA-N 305.338 -0.897 30 20 DBED COCc1nn(C)cc1C(=O)NC[C@H]1COCCN1CC#N 1050990531 HRKMTDALLWJZJI-NSHDSACASA-N 307.354 -0.479 30 20 DBED C#CCCN1CCC[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 1052755585 WNWJVYAJZVUGIW-RYUDHWBXSA-N 306.366 -0.422 30 20 DBED CN1C(=O)CCC[C@@H]1C(=O)N1CCOC2(CN(CC#N)C2)C1 1053520405 GLMNYNURSWXRJR-GFCCVEGCSA-N 306.366 -0.566 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)c3coc(C(N)=O)c3)CO2)C1 1053880716 VKKNQRPTWKBCHU-JTQLQIEISA-N 304.306 -0.525 30 20 DBED C=CCOCC(=O)N[C@@]1(CO)CCCN(C(=O)C(F)F)C1 1055832130 UWGHHRFSIAQOQM-ZDUSSCGKSA-N 306.309 -0.076 30 20 DBED CC(C)C#CC(=O)N1CC[C@H]2[C@@H]1CCCN2C(=O)CNC(N)=O 1056220784 NSFYVJUNCNOCOT-STQMWFEESA-N 320.393 -0.094 30 20 DBED Cc1cc(C(=O)N(CCO)CCNC(=O)C#CC2CC2)n[nH]1 1057101271 LVPQCTFPIFAGCY-UHFFFAOYSA-N 304.350 -0.318 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)c1cn(C)c(O)n1 1057168344 BQRWZLZQSINTBQ-UHFFFAOYSA-N 310.354 -0.357 30 20 DBED CCCOCC(=O)NCCN(CCO)C(=O)c1ccc(C#N)[nH]1 1057367308 VRBZTMVNSDZJFX-UHFFFAOYSA-N 322.365 -0.136 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)[C@@H]1CCC(=O)N1 1057439739 YUCAFQBJUYYQPL-LBPRGKRZSA-N 309.366 -0.994 30 20 DBED C=CCn1cc(C(=O)N(CCO)CCNC(=O)[C@H]2C[C@@H]2C)nn1 1057626485 SHRWSJWVZXJASL-RYUDHWBXSA-N 321.381 -0.329 30 20 DBED CN1CC[C@@H](C(=O)N[C@@H]2CCN(c3nccnc3C#N)C2)C1=O 1058514375 HXNFNGZHRQSUBV-MNOVXSKESA-N 314.349 -0.479 30 20 DBED Cn1nc(C(=O)N[C@H]2C[C@@H](N=c3cc[nH]cc3C#N)C2)ccc1=O 1059640270 ICOYDOVTLAFTSG-TXEJJXNPSA-N 324.344 -0.158 30 20 DBED N#Cc1ccc(N2CCC[C@@H]2CNC(=O)[C@@H]2CNC(=O)N2)cn1 1061441060 NWWPJRIYOXCOOW-YPMHNXCESA-N 314.349 -0.280 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)c1cnc(O)n1C 1061851970 SBVRQEAUYKJXJR-VHSXEESVSA-N 321.337 -0.757 30 20 DBED C#Cc1ccc(C(=O)NC2(CNC(=O)CC(N)=O)CCC2)nc1 1062733521 ILPZRUACKWZKCH-UHFFFAOYSA-N 314.345 -0.293 30 20 DBED C#CCOCCC(=O)NC1(CNC(=O)CC(=O)NCC)CCC1 1062830912 OIUBJACFQOHWFN-UHFFFAOYSA-N 323.393 -0.292 30 20 DBED N#Cc1ccc(N2CCO[C@@H](CNC(=O)[C@H]3CCCO3)C2)nn1 1063605314 HDLFLRSVWSMHNP-QWHCGFSZSA-N 317.349 -0.151 30 20 DBED N#Cc1cnc(N2CCO[C@H](CNC(=O)c3cnon3)C2)cn1 1063638656 CFHDLHWSRDVTRE-SNVBAGLBSA-N 315.293 -0.634 30 20 DBED C#CCO[C@H](C)C(=O)N1CCO[C@@H](CNC(=O)CSC)C1 1065153299 UCPUJKYFDYEUNC-NEPJUHHUSA-N 314.407 -0.269 30 20 DBED Cc1nn[nH]c1C(=O)N1C[C@@H]2CN(c3nccnc3C#N)C[C@@H]2C1 1066050570 FGVJTJLDRNIITF-PHIMTYICSA-N 324.348 -0.017 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@H](CNc2nccn3nnnc23)C1 1066601713 DOYPZAYNYNBUEV-NXEZZACHSA-N 316.325 -0.682 30 20 DBED Cn1nncc1C(=O)NC[C@H]1[C@@H]2CN(c3ccc(C#N)nn3)C[C@H]12 1068172911 YRKVFELQADUNPF-CNDDSTCGSA-N 324.348 -0.411 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCOC2(C1)CN(C(=O)[C@@H](C)C#N)C2 1068388974 SWHDCUFZJKERAM-WFASDCNBSA-N 321.377 -0.087 30 20 DBED C=C(C)C[C@H](C)C(=O)N1CCOC2(CN(C(=O)C(N)=O)C2)C1 1068435328 QXVVZMRNMWEYPM-NSHDSACASA-N 309.366 -0.486 30 20 DBED C=CCCCC(=O)NC[C@H]1CCC2(CN(C(=O)C(N)=O)C2)O1 1068616061 GKHAMJLOOXGEKR-LLVKDONJSA-N 309.366 -0.296 30 20 DBED C#CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2ccncn2)C1 1070057543 YFJSPELYGTTYKH-KGLIPLIRSA-N 311.349 -0.253 30 20 DBED C=CCOCC(=O)N[C@@H]1CCCN(C(=O)Cn2cnnc2O)C1 1070641362 GAYLXBZNQOBDMN-LLVKDONJSA-N 323.353 -0.707 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H](NC(=O)CCN2CCOCC2)C1 1071229735 YGNCYAJASGNMBB-ZIAGYGMSSA-N 322.409 -0.024 30 20 DBED C=C(C)CCN1CCN([C@@H]2CCCN(C(=O)C(N)=O)C2)C(=O)C1 1071272020 DJXOZHRXISOEFA-CYBMUJFWSA-N 322.409 -0.427 30 20 DBED CC(=O)NCC(=O)N1C[C@@H](C)[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 1071496076 OMGMPKCDRBPSQF-RNCFNFMXSA-N 317.349 -0.401 30 20 DBED C#CCCCCC(=O)N[C@@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1C 1072165131 KPIKKGSGFASBMW-QWHCGFSZSA-N 318.381 -0.170 30 20 DBED C[C@@H]1CN(C(=O)C(=O)NCC2CC2)C[C@H]1NC(=O)C#CC1CC1 1072611089 LJUIQORWPHQDED-BXUZGUMPSA-N 317.389 -0.111 30 20 DBED CO[C@H](C)CC(=O)N1CC(N2CCN(C(=O)[C@H](C)C#N)CC2)C1 1073597167 RQXKGTPVBBSELY-CHWSQXEVSA-N 322.409 -0.074 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(C(=O)CNC(C)=O)C[C@@H]1C 1073816531 CPOUMWHHMACYEY-WCQYABFASA-N 311.382 -0.322 30 20 DBED C=CCCC(=O)NCC[C@H](C)NC(=O)CCNS(C)(=O)=O 1075887182 ZRZBYFACEAAASN-NSHDSACASA-N 319.427 -0.097 30 20 DBED C[C@@H](CCNC(=O)c1cnc(O)n(C)c1=O)NC(=O)[C@H](C)C#N 1077709296 JEADLKCXXBVJJQ-BDAKNGLRSA-N 321.337 -0.730 30 20 DBED Cc1cnc2c(C(=O)N[C@@H]3CN(CC#N)C[C@H]3O)cnn2c1 1077763297 PELSWRLDNYVBLQ-VXGBXAGGSA-N 300.322 -0.664 30 20 DBED C#CCOCCC(=O)N(CC)C1CN(C(=O)CCCC(N)=O)C1 1079770697 KLFWAIHEFGSKSS-UHFFFAOYSA-N 323.393 -0.259 30 20 DBED CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)[C@H](C)N2CCOCC2)C1 1080420120 NPGYGXAOAMEOEB-STQMWFEESA-N 322.409 -0.074 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cocn2)C1 1081341417 POTGZZFESYEBIY-WCQYABFASA-N 305.334 -0.117 30 20 DBED C=CCCCC(=O)NC[C@@H]1CN(C(=O)c2cnon2)C[C@H]1O 1081704848 JDPJBYKZHVASQM-ZYHUDNBSSA-N 308.338 -0.025 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1coc(C(N)=O)c1 1083152479 HZIXSVCPEPHTEP-CMPLNLGQSA-N 304.306 -0.573 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2cccnc2N2CCCC2)C1 1083612400 RMNCLLNJOXAMGJ-KGLIPLIRSA-N 315.377 -0.020 30 20 DBED C#CCN1CC[C@H](NC(=O)C2(n3cnnn3)CCOCC2)[C@H]1C 1088912833 UEDLRPVIMKDUPB-OLZOCXBDSA-N 318.381 -0.609 30 20 DBED N#CCN1C[C@@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C2CS(=O)(=O)C2)C1 1089805954 MPAXHZJIGBIHMG-DEQVHRJGSA-N 323.418 -0.277 30 20 DBED CCCOCC(=O)N[C@@H]1CN(c2nc(C)cc(C#N)n2)C[C@H]1O 1090381550 XFEYCJUPGAIGCA-CHWSQXEVSA-N 319.365 -0.251 30 20 DBED C=CCCN1CC[C@H](NC(=O)CN2C(=O)CN(C)C2=O)[C@H](O)C1 1090794426 PUSADDUIPRCLEH-NWDGAFQWSA-N 324.381 -0.992 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CCN(c2ncccc2C#N)C[C@H]1O 1092148766 UHKFTVMSTUKTMO-VXGBXAGGSA-N 317.349 -0.855 30 20 DBED N#Cc1cccnc1N1C[C@H]2C(NC(=O)CCn3cnnn3)[C@@H]2C1 1093294725 YSENQQYYRHXUFF-VXGBXAGGSA-N 324.348 -0.419 30 20 DBED N#Cc1nc(=NCCNC(=O)[C@H]2CCNC(=O)CC2)cc[nH]1 1094023951 IAFPYXWLEOQBEW-SNVBAGLBSA-N 302.338 -0.785 30 20 DBED COc1c(C(=O)NCCCN=c2cc[nH]c(C#N)n2)cnn1C 1094527325 BSUGFXLQVDUGHE-UHFFFAOYSA-N 315.337 -0.256 30 20 DBED C#CCO[C@@H](C)C(=O)NCCCNc1ccc2nnnn2n1 1094595237 VZBURJUOPRLKEB-JTQLQIEISA-N 303.326 -0.524 30 20 DBED CS(=O)(=O)CC(=O)NC1CCN(c2ccnc(C#N)n2)CC1 1095405424 MXDHZFKDNXYPCI-UHFFFAOYSA-N 323.378 -0.522 30 20 DBED C=CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN1CCN(C)C(=O)C1 1095648311 UDQRUHXVQUVUAX-RDBSUJKOSA-N 306.410 -0.332 30 20 DBED CN(CCCNC(=O)[C@H]1CC[C@H]1C(N)=O)c1cncc(C#N)n1 1095696760 LVTHYKJQDHAYHO-NEPJUHHUSA-N 316.365 -0.198 30 20 DBED COCCOCC(=O)N[C@@H]1CCN(c2nccnc2C#N)C1 1096340440 JLJURMBSGRTJKS-LLVKDONJSA-N 305.338 -0.294 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CCN(c2nc(CC)ns2)C1 1096360820 QXIFARGGFAULMV-JTQLQIEISA-N 321.406 -0.065 30 20 DBED N#Cc1cncc(N2CC[C@H](NC(=O)CCn3ccnn3)C2)n1 1096362926 OAWFMEQUCGQPIR-NSHDSACASA-N 312.337 -0.275 30 20 DBED CC(=O)NCC(=O)NC[C@@H]1CCCCN1c1ccc(C#N)nn1 1097385004 CXAQPVDHTIHANN-ZDUSSCGKSA-N 316.365 -0.041 30 20 DBED COCCCOCC(=O)NC[C@@H](C)N=c1cc[nH]c(C#N)n1 1098048925 GBSITQDKUKTOAS-LLVKDONJSA-N 307.354 -0.260 30 20 DBED CNC(=O)NCC(=O)N1CC[C@H](CN=c2cc[nH]cc2C#N)C1 1098578966 JROHISIDOYCCJU-LLVKDONJSA-N 316.365 -0.435 30 20 DBED Cn1cc(CN2CC[C@@H](NC(=O)CSCC#N)[C@H](O)C2)cn1 1099690627 RRRGYACMLHLCOM-CHWSQXEVSA-N 323.422 -0.272 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2cc(C)n(C)n2)[C@H](O)C1 1099704830 RHIACSMQEOAUDS-DZGCQCFKSA-N 320.393 -0.457 30 20 DBED CN(CCNC(=O)CCc1nc[nH]n1)c1cncc(C#N)n1 1100017695 FCPRQSYNZLLYHK-UHFFFAOYSA-N 300.326 -0.348 30 20 DBED CN(CCNC(=O)Cn1ccccc1=O)c1cncc(C#N)n1 1100108797 GASZNVPFVHOINK-UHFFFAOYSA-N 312.333 -0.237 30 20 DBED C=CCNC(=O)[C@H](C)NC1CC(CNC(=O)Cc2nc[nH]n2)C1 1100848359 IVVOWHJGBJNLII-UNXYVOJBSA-N 320.397 -0.478 30 20 DBED COCC#CCN1C[C@@H]2CN(C(=O)[C@H]3COC(=O)N3)C[C@]2(C)C1 1101220211 WAJBRQYRYXIEHC-IOASZLSFSA-N 321.377 -0.475 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)C[C@@H]1CCC(=O)N1 1101678342 PICSDJMWSQZJDX-JTQLQIEISA-N 302.338 -0.691 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)c1nc2ncccn2n1 1101723824 WIQJCYJZRIYVRL-UHFFFAOYSA-N 323.320 -0.608 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)[C@H]2CCN(C)C2)C1 1102578312 VRDAEZCJSLAUPE-QLFBSQMISA-N 320.437 -0.628 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)Cn1nccn1 1104110628 YJGNOWQVXGFGER-JTQLQIEISA-N 300.326 -0.774 30 20 DBED C=C(Cl)CNCc1cn(C2CN(C(=O)CC(N)=O)C2)nn1 1105195063 XJDFDEMUVRSXSK-UHFFFAOYSA-N 312.761 -0.621 30 20 DBED C=C(C)CNCc1cn(C2CN(C(=O)c3nc[nH]n3)C2)nn1 1105344177 QYRYQDWZQZMMHL-UHFFFAOYSA-N 302.342 -0.241 30 20 DBED Cc1cc(=NC[C@H](O)CNC(=O)[C@@H]2CCCO2)c(C#N)c[nH]1 1105737726 JWFCKFWFCVEEGB-JSGCOSHPSA-N 304.350 -0.248 30 20 DBED C[C@H](NC(N)=O)C(=O)NC[C@@H](O)CNc1ncc(C#N)cc1F 1105810130 OKWZYLRSEQUTQY-CBAPKCEASA-N 324.316 -0.962 30 20 DBED C#CCOCCC(=O)NC[C@H](O)CNc1ccc(C#N)nc1 1105966575 ORLIJDKZCIWBJA-CQSZACIVSA-N 302.334 -0.118 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H](O)CNc1ncccc1C#N 1105970496 IMNWLKRGTHBCFH-WCQYABFASA-N 302.334 -0.119 30 20 DBED C=CCNC(=O)CNC[C@@H]1CN(C(=O)[C@@H]2COC(=O)N2)C[C@H]1C 1106076358 WXPHYAALEBIRJM-UTUOFQBUSA-N 324.381 -0.919 30 20 DBED C[C@@H](CCNc1cnc(C#N)cn1)NC(=O)[C@@H]1CCNC1=O 1106515253 IMEADNPQDYEPAZ-GXSJLCMTSA-N 302.338 -0.209 30 20 DBED C=CCNC[C@@H]1CN(C(=O)C[C@H](NC(C)=O)C(N)=O)C[C@H]1C 1106736727 RVTXJPQEYMFRTH-RTXFEEFZSA-N 310.398 -0.763 30 20 DBED N#Cc1cnc(NC/C=C/CNC(=O)C(=O)NCC2CC2)cn1 1107309768 MEUGVHYITNHVJP-OWOJBTEDSA-N 314.349 -0.041 30 20 DBED CC(=O)N1CC(C(=O)N[C@H](C)CN=c2cc[nH]cc2C#N)C1 1107695937 VUCNTBOIHZKXGF-SNVBAGLBSA-N 301.350 -0.230 30 20 DBED C=CCN1CCO[C@](C)(CNC(=O)Cn2ccc(O)nc2=O)C1 1108056203 XZNBSNJVYOMFST-OAHLLOKOSA-N 322.365 -0.658 30 20 DBED CCS(=O)(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC#N 1110619194 RJPRRTUQMGIGTD-MXWKQRLJSA-N 300.384 -0.829 30 20 DBED CC(=O)NCC(=O)N1C[C@H](C)[C@@H](N=c2cc[nH]c(C#N)n2)C1 1112296573 ZZAIXFXTUFIPRY-ONGXEEELSA-N 302.338 -0.835 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)c2cc(C)nn2C)CC1 1112651869 PBNYLOKWVPYZIM-CYBMUJFWSA-N 317.393 -0.376 30 20 DBED C[C@H](NC(=O)CN1CCOCC1)[C@H](C)Nc1nccnc1C#N 1112970900 JLFPHZWYVIILMP-RYUDHWBXSA-N 318.381 -0.014 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)COCC(F)F)CC1 1113151722 NZEONSUSWQDXQK-LLVKDONJSA-N 317.336 -0.450 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)c2ncccn2)CC1 1113451591 JQFAYVDDADWUPW-LBPRGKRZSA-N 303.366 -0.075 30 20 DBED C[C@H](CNC(=O)CSCC#N)N(C)c1ccc2nnnn2n1 1113496079 GQSFJYZKVMJYAH-SECBINFHSA-N 320.382 -0.283 30 20 DBED C[C@@H](CNC(=O)C[C@@H]1CCC(=O)N1)N(C)c1nccnc1C#N 1113652460 XONXCECCGULMIA-QWRGUYRKSA-N 316.365 -0.042 30 20 DBED C[C@H](CNC(=O)[C@H]1CCCNC1=O)N(C)c1cncc(C#N)n1 1113744498 OYRGWKSKUUHPMH-PWSUYJOCSA-N 316.365 -0.185 30 20 DBED C[C@H](CNC(=O)[C@@H]1CCN(C)C1=O)N(C)c1cncc(C#N)n1 1113820602 QUSWBQIMZGXWEZ-PWSUYJOCSA-N 316.365 -0.233 30 20 DBED C[C@@H]1CCN(c2ccnc(C#N)n2)C[C@H]1NC(=O)CNC(N)=O 1113996943 CMGLENGPXQCDTF-NXEZZACHSA-N 317.353 -0.652 30 20 DBED Cc1ncc(C(=O)N[C@H]2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]32)[nH]1 1114037679 HGAGFOWURRAHAO-IWIIMEHWSA-N 302.338 -0.982 30 20 DBED N#CCNC(=O)CN1C[C@H]2C(NC(=O)c3cc(C#N)c[nH]3)[C@@H]2C1 1114104001 UMZGKPOCGSOQNQ-GHMZBOCLSA-N 312.333 -0.814 30 20 DBED N#CCNC(=O)CN1C[C@H]2C(NC(=O)C3CC(F)(F)C3)[C@@H]2C1 1114120341 PLSULVRCZWNHOZ-NXEZZACHSA-N 312.320 -0.282 30 20 DBED CCc1nc(C(=O)NC2[C@H]3CN(CC(=O)NCC#N)C[C@H]23)co1 1114161684 KVYYABZYAIIZKU-UWVGGRQHSA-N 317.349 -0.463 30 20 DBED N#CCN1C[C@H]2C(NC(=O)CS(=O)(=O)C3CCCC3)[C@@H]2C1 1114480547 PYZRSSUACLMMQT-VXGBXAGGSA-N 311.407 -0.086 30 20 DBED C=CCOCCN1C[C@H]2C(NC(=O)CN3CCCNC3=O)[C@@H]2C1 1114516014 PLMYFCPMPJZOJK-CHWSQXEVSA-N 322.409 -0.349 30 20 DBED C=CCCCN1C[C@@H]2C(NC(=O)[C@@H]3CC(=O)NC(=O)N3)[C@H]2C1 1114891774 NURWVJNQURWAJX-DCAQKATOSA-N 306.366 -0.403 30 20 DBED CNC(=O)CC(=O)NCCOCCN(C)c1ccc(C#N)cn1 1115196110 WULKURDULYFTSW-UHFFFAOYSA-N 319.365 -0.342 30 20 DBED COC(=O)[C@@H](C)N(C)C(=O)CCN/C(O)=C1/N=CC=CC1=O 1116885472 PQZHYNSQZCNUAJ-MMZVIXLHSA-N 309.322 -0.077 30 20 DBED C[C@@H](CCN1CCN(C)CC1)NC[C@H](O)CN(C)CCC#N 1120588941 IXILXAZZKUSUOD-HOTGVXAUSA-N 311.474 -0.192 30 20 DBED CCO[C@@H](CC)C(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1 1121166027 VSSBAFMPVZETLF-QWRGUYRKSA-N 307.354 -0.526 30 20 DBED C=CCn1c([C@@H](O)COC)nnc1N1CCNC(=O)[C@@H]1CC 1121633480 OHQQUYPBSSBCDT-QWRGUYRKSA-N 309.370 -0.141 30 20 DBED Cc1cnoc1C(=O)NC[C@H](CO)Nc1ccc(C#N)nn1 1122003254 JSIVSXPRMLFPHM-SNVBAGLBSA-N 302.294 -0.153 30 20 DBED C[C@@H](CC(=O)NC[C@@H](CO)Nc1ccc(C#N)nc1)NC(N)=O 1122071710 SRLFZYZQXMKRIH-CABZTGNLSA-N 320.353 -0.711 30 20 DBED Cc1cc(C(=O)N(C)C[C@H](O)CN=c2cc[nH]cc2C#N)n[nH]1 1124098369 XMZKLWRMBVGPJK-GFCCVEGCSA-N 314.349 -0.048 30 20 DBED Cc1cc(=NC[C@H](O)CN(C)C(=O)[C@@H]2CCOC2)c(C#N)c[nH]1 1124140232 IVYBMMDIBPZXSP-OCCSQVGLSA-N 318.377 -0.049 30 20 DBED CN(C[C@@H](O)CNc1ccc(C#N)nn1)C(=O)c1cn(C)cn1 1124245723 HGHCLIIBNXPOLV-NSHDSACASA-N 315.337 -0.373 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]cc1C#N)C(=O)c1csnn1 1124628352 QWJUXJMPOWXZFA-SNVBAGLBSA-N 318.362 -0.228 30 20 DBED Cc1ccc(C#N)c(N(C)C[C@H](O)CN(C)C(=O)C(N)=O)n1 1125246958 DWKPDTICPVELGM-NSHDSACASA-N 305.338 -0.998 30 20 DBED Cc1cc(N(C)C[C@@H](O)CN(C)C(=O)C(N)=O)c(C#N)cn1 1125253757 GVMZMRJFKAADLD-LLVKDONJSA-N 305.338 -0.998 30 20 DBED C[C@@H](NC(=O)C(N)=O)C1CCN(c2ccc(C#N)nn2)CC1 1126676417 XPGYGPTWJGAYKD-SECBINFHSA-N 302.338 -0.445 30 20 DBED COC[C@@H](OC)C(=O)N(C)C1CC(N=c2cc[nH]c(C#N)n2)C1 1127063068 NMZPPJDHWMUUEG-HTAVTVPLSA-N 319.365 -0.167 30 20 DBED N#Cc1ccc(F)cc1CNCCNC(=O)Cn1ncnn1 1127433092 DMFVISPXMABSTJ-UHFFFAOYSA-N 303.301 -0.410 30 20 DBED C#CCCCC(=O)NCc1cnn2c1CN(CC(N)=O)CC2 1128326903 HCMRGTFARHXDKD-UHFFFAOYSA-N 303.366 -0.396 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1cccc(C(N)=O)c1 1130367644 PNIFVPXUZRWYDA-NSHDSACASA-N 316.361 -0.757 30 20 DBED COc1ccc(C)cc1C(=O)NCCNCC(=O)NCC#N 1130981535 OOLGKJXAKNBQJI-UHFFFAOYSA-N 304.350 -0.037 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2C[C@@H]3CN(CCCO)C[C@]2(C1)O3 1131231403 ZPNZEHJYXSDILB-LJIGWXMPSA-N 322.405 -0.291 30 20 DBED C[C@@H]1CC[C@H](NC(=O)Cc2cnoc2)CN1CC(=O)NCC#N 1132235939 VPRQYSVYYXTYLP-YPMHNXCESA-N 319.365 -0.174 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CCCN(CCC)C1 1132739569 SFSCLANGWOQEQY-CABCVRRESA-N 322.453 -0.048 30 20 DBED C=C[C@@](C)(CC)C(=O)NCCNCc1cc(=O)n(C)c(=O)n1C 1133383521 SDAOYIICCBVLGK-INIZCTEOSA-N 322.409 -0.108 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)C[C@@H](C)NCc1cn(C)nn1 1134130205 DSRPBMJRKQYNHQ-VXGBXAGGSA-N 320.397 -0.673 30 20 DBED Cc1n[nH]cc1C(=O)N[C@H](C)C[C@@H](C)NCC(=O)NCC#N 1135156254 DYLQGLZWNDQIIT-NXEZZACHSA-N 306.370 -0.156 30 20 DBED COCC#CCN[C@H](C)C[C@H](C)NC(=O)CN1C(=O)CCC1=O 1146193548 PHCBZASAJLGPRV-OLZOCXBDSA-N 323.393 -0.342 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1cnn(CCOC)c1 1149332111 AFEXSPCIOXLFTK-UHFFFAOYSA-N 309.370 -0.849 30 20 DBED CC(C)NC(=O)CN1CCCO[C@H](CNC(=O)[C@H](C)C#N)C1 1149409159 UCGWRVCHALBDBV-CHWSQXEVSA-N 310.398 -0.122 30 20 DBED CCN(Cc1nnnn1C)[C@H](C)CNC(=O)CSCC#N 1151965279 HXQBYZVIEIYNBT-SNVBAGLBSA-N 311.415 -0.207 30 20 DBED C=CCO[C@H](C)C(=O)NCCNCC(=O)NC[C@H]1CCOC1 1153149542 YESNMGJAIBYECT-CHWSQXEVSA-N 313.398 -0.564 30 20 DBED C#CCCN(CC)[C@H](C)CNC(=O)CNC(=O)CNC(C)=O 1154053748 WMYVNWSQMGFSMA-GFCCVEGCSA-N 310.398 -0.911 30 20 DBED COCC#CCNCCCNC(=O)CS(=O)(=O)CC(C)C 1161106104 YJRIILBETMGBSZ-UHFFFAOYSA-N 318.439 -0.197 30 20 DBED CC(=O)N[C@H](C)C(=O)NCCC1(CNCC(=O)NCC#N)CC1 1163285430 GSBNILSCJKPHNF-LLVKDONJSA-N 323.397 -0.973 30 20 DBED C=CCCn1cc(C(=O)NCCCNCC(=O)NCC=C)nn1 1167991737 QRJBNOIXPPXJBC-UHFFFAOYSA-N 320.397 -0.134 30 20 DBED C[C@@H](CCCCNCC(=O)NCC#N)NC(=O)c1cccnn1 1175837924 IYNGOWRLKLUZAK-LBPRGKRZSA-N 318.381 -0.005 30 20 DBED C[C@H]1[C@@H](N[C@@H]2CCC(=O)NC2=O)CCN1C(=O)CSCC#N 1178147548 FWHLABDKULASEN-GARJFASQSA-N 324.406 -0.373 30 20 DBED C#CCN[C@H]1CCN(C(=O)CCCn2c(O)nnc2O)[C@H]1C 1179032906 SUQQSPNPGLNXKW-QWRGUYRKSA-N 307.354 -0.318 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)CN2CCCC2=O)C1 1180870561 HZKKGRHZBIXHGA-CHWSQXEVSA-N 322.409 -0.510 30 20 DBED C[C@@H]1CN(C(=O)C(=O)NCC(F)F)C[C@@]1(C)CNCC#N 1181991580 CXPQQROPDLXKNF-NOZJJQNGSA-N 302.325 -0.035 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](NCc2ncccn2)C1 1182134189 JCODZMLLSMZCGR-GFCCVEGCSA-N 301.350 -0.693 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)CC[C@H]1CNCC(=O)NC(N)=O 1184369524 GANWFKQWZXHTAZ-YPMHNXCESA-N 320.393 -0.331 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)CNC(C)=O)CC12CCOCC2 1186237649 VVBVFTBUMGXFRI-OAHLLOKOSA-N 321.421 -0.009 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)Cc2cnn(CC)c2)C1 1186987498 YDMJQLNIEPEDII-CQSZACIVSA-N 317.393 -0.615 30 20 DBED C#CCCN[C@@H]1CCN(C(=O)CCC(=O)N2CCOCC2)C1 1187623483 QXIYBMBKUFETKN-CQSZACIVSA-N 307.394 -0.161 30 20 DBED Cc1c(C(=O)N2CC[C@@H](N(C)CC(=O)NCC#N)C2)cnn1C 1188861416 CSLBGIVXCQSXHL-GFCCVEGCSA-N 318.381 -0.485 30 20 DBED CN(Cc1nnnn1C)[C@H]1CCN(C(=O)CSCC#N)C1 1188959361 RMSGEFFFGBXAEE-JTQLQIEISA-N 309.399 -0.500 30 20 DBED C[C@@H]1CC[C@H](C(=O)N2CC[C@H](N(C)CC(=O)NCC#N)C2)O1 1192446361 ZJVOAWMQQWSRRO-FRRDWIJNSA-N 308.382 -0.274 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(CCOCC(F)F)C[C@H]1O 1192531592 YIZMGBMPKLQMJI-JTNHKYCSSA-N 322.352 -0.244 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)c2n[nH]c3c2CCC3)C1 1194365959 UDHZNGVNODGUFG-ZIAGYGMSSA-N 318.377 -0.677 30 20 DBED Cc1cc(C(=O)N2CCCN(CC(=O)NCC#N)CC2)ncn1 1195496477 DTJGTBXSDXLDIQ-UHFFFAOYSA-N 316.365 -0.427 30 20 DBED C#CCNC(=O)[C@H](C)N1CCCN(C(=O)Cc2ncc[nH]2)CC1 1197559668 DNWIEPABRHMUJX-ZDUSSCGKSA-N 317.393 -0.376 30 20 DBED C#CCNC(=O)[C@H](C)NC1CCN(C(=O)[C@H](O)C(C)C)CC1 1200364049 XORNWCTVDNSDEB-GXTWGEPZSA-N 309.410 -0.278 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)[C@H]2C[C@@H](C)CO2)CC1 1201695313 WXUOMKMREIHIDJ-TZMCWYRMSA-N 307.394 -0.259 30 20 DBED C#CCCN[C@H]1C[C@@H](NC(=O)Cn2ncn(C)c2=O)C12CCC2 1203095769 UCSXNMBTKLCWQW-QWHCGFSZSA-N 317.393 -0.378 30 20 DBED N#CCNC(=O)CN[C@H]1CCCN(C(=O)CSCC#N)C1 1207411036 ZPBDPWKUNBFZBV-NSHDSACASA-N 309.395 -0.536 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2CCCOC2)C1 1207636319 SHOGIJITHWJOOE-ZIAGYGMSSA-N 307.394 -0.257 30 20 DBED CC(C)NC(=O)CN(C)CC(=O)N[C@@H]1CN(CC#N)C[C@H]1C 1207866303 WUACGTGYPJNZNZ-CHWSQXEVSA-N 309.414 -0.597 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)C[C@@H]2CCNC2=O)C1 1208325326 MISRRTQVRNHVFA-QWHCGFSZSA-N 322.409 -0.605 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CCCN(C(=O)c2cnn(C)n2)C1 1210115972 CRBVJFJYSCFGND-NWDGAFQWSA-N 320.397 -0.300 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)c2ccnc(C)n2)C1 1211111763 CJOJRRKSTLMRPJ-ZDUSSCGKSA-N 315.377 -0.271 30 20 DBED CO[C@@H]1CN(Cc2cnnn2C)C[C@H]1NC(=O)C#CC1CC1 1212244269 MJVNAECDQOWZHY-ZIAGYGMSSA-N 303.366 -0.456 30 20 DBED C#CCN1C[C@@H](NC(=O)CC(=O)NCC(F)(F)F)[C@H](OC)C1 1213646455 MPDQBOBTVORRPY-NXEZZACHSA-N 321.299 -0.496 30 20 DBED Cc1conc1C(=O)N1C[C@@H](NCC(=O)NCC#N)[C@H](C)C1 1216229720 MRVMMGHQNRUBON-MWLCHTKSSA-N 305.338 -0.327 30 20 DBED COCC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cn(C)cn1 1217630995 JJHKAKIMMHBOMB-LSDHHAIUSA-N 318.377 -0.405 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(Cc2cnn(CC)n2)C[C@@H]1O 1219527377 NOODGFKFGRVUDE-VNHYZAJKSA-N 323.397 -0.714 30 20 DBED CC(C)N1CC[C@H](N2C[C@H](O)[C@H](NC(=O)C#CC3CC3)C2)C1=O 1219594837 YMDKWOVRIXXBDT-ILXRZTDVSA-N 319.405 -0.430 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(CCOCC2CC2)C[C@@H]1O 1219612100 YQNNCMVDYWXEBZ-CABCVRRESA-N 310.394 -0.386 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](NC(=O)[C@H](C)NC(=O)COC)C1 1219684428 OAJLAVPURCDZQD-XQQFMLRXSA-N 313.398 -0.735 30 20 DBED C=CCC[C@H](C)N1C[C@H](O)[C@H](NC(=O)c2c[nH]c(=O)cn2)C1 1220224647 WLMQNTKPROARHQ-UHTWSYAYSA-N 306.366 -0.101 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)c2[nH]cnc2CC)C1 1220875273 AHLZUHFRLWSXJD-OLZOCXBDSA-N 308.382 -0.050 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@H](C(C)C)N2CCCC2=O)C1 1221167328 JBIFMLKWZCSQEP-IPYPFGDCSA-N 307.394 -0.572 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3ccc[nH]3)[C@@H]2C1 1221267185 MGQCMUHFVBUUKF-TZMCWYRMSA-N 300.362 -0.090 30 20 DBED Cc1cnoc1C(=O)N1C[C@H]2CCN(CC(=O)NCC#N)C[C@H]21 1221915812 SWGSSKMLFYMAKO-VXGBXAGGSA-N 317.349 -0.231 30 20 DBED COCC#CCN1CCC(NC(=O)CCc2nc[nH]n2)CC1 1226831428 NAUKERXPVWFHPE-UHFFFAOYSA-N 305.382 -0.032 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC(=O)N1 1229786319 FMKRDRRITUPTHQ-UPJWGTAASA-N 322.409 -0.416 30 20 DBED C#CCN1CCS(=O)(=O)[C@H](CCNC(=O)c2cc[nH]n2)C1 1230422147 HJZXORLHSQRSEH-LLVKDONJSA-N 310.379 -0.738 30 20 DBED C=C[C@](C)(O)CC(=O)N(C)C[C@H]1CCN1Cc1nc(O)n[nH]1 1233976771 HTLFLUOWSKYPOE-YGRLFVJLSA-N 309.370 -0.130 30 20 DBED C[C@H](CO)[C@@H]1CCCCN1C(=O)C(=O)N1CCO[C@@H](C#N)C1 1261625261 NNKZJGXWVISZGF-AGIUHOORSA-N 309.366 -0.253 30 20 DBED C#CCNC(=O)CN1CC[C@H](N(C)C(=O)C[C@H]2CCOC2)C1 1318424484 JOJLGMNISGLDAM-KGLIPLIRSA-N 307.394 -0.305 30 20 DBED N#Cc1ccc(N2C[C@H](C(=O)NOCC(N)=O)CC2=O)cc1 1319896230 OUFHDHKRZUYEAW-SNVBAGLBSA-N 302.290 -0.556 30 20 DBED CN(C)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCO[C@H](C#N)C2)C1 1323532475 FRVRLWPUDONPEL-YNEHKIRRSA-N 308.382 -0.274 30 20 DBED C=C[C@H](CO)NC(=O)C(=O)Nc1ccc2c(c1)C(=O)NCC2 1327473510 PSFNABMUTKLCPF-SNVBAGLBSA-N 303.318 -0.426 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CCCC[C@@H]1CNC(C)=O 1330731573 NVPXYGFOXRPOOV-CHWSQXEVSA-N 311.382 -0.179 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N1CC[C@@H](CN(C)C)C1 1330875932 IBRXLGRMRPPJRP-KBPBESRZSA-N 309.410 -0.059 30 20 DBED COCC#CC(=O)Nc1ccc(C(=O)NCCC(N)=O)cc1 1331202732 YMMLSSNBUZPTQY-UHFFFAOYSA-N 303.318 -0.120 30 20 DBED C=CCn1c(N(C)CCC(=O)NC)nnc1[C@](C)(O)COC 1338981108 KXFFDBJKXHWULA-CQSZACIVSA-N 311.386 -0.110 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)NCCc1cnn(C)c1 1347449267 KJTQSRXVNLTENE-UHFFFAOYSA-N 306.366 -0.423 30 20 DBED CCN1C[C@@H](CNC(=O)C(=O)Nc2ccc(C#N)cn2)CC1=O 1349574739 WXWPZCJLBFGYFJ-LLVKDONJSA-N 315.333 -0.124 30 20 DBED N#Cc1cccc(NC(=O)C(=O)N2[C@H]3CC[C@H]2CC(=O)NC3)n1 1351507101 IEHXVHYSJLDRQC-QWRGUYRKSA-N 313.317 -0.229 30 20 DBED CCc1nc(C#N)cc(N(C)Cc2nnc3n2CCNC3=O)n1 1364588820 QMFDSNBUOSVBGQ-UHFFFAOYSA-N 312.337 -0.118 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)COc1ccccc1F 1376614381 MTJFQTRYPUFQIU-WDEREUQCSA-N 323.324 -0.043 30 20 DBED CCN(CCNC(=O)[C@@H](C)C#N)C(=O)[C@H]1CCCN(C(N)=O)C1 1388408051 QMCLCUTXDZDTMZ-RYUDHWBXSA-N 323.397 -0.099 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNCc1ccc(C(N)=O)cc1 1401513715 YOVAGLBYYCYCIB-ZWNOBZJWSA-N 304.350 -0.488 30 20 DBED N#Cc1ccccc1CNC[C@@H](O)CNC(=O)[C@@H]1COC(=O)N1 1406216864 MOBILTVBOCHBHB-OLZOCXBDSA-N 318.333 -0.767 30 20 DBED C[C@H](CN(C)Cc1nnn(C)n1)NC(=O)c1cc(C#N)c[nH]1 1406614297 NPLXQIQAOXXOKQ-SECBINFHSA-N 302.342 -0.340 30 20 DBED COC[C@@H](O)CNC[C@@H](NC(=O)c1cc(C#N)c[nH]1)C1CC1 1406754474 QTTGEZIQOACTMZ-GXTWGEPZSA-N 306.366 -0.008 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CCN(C(=O)c2cccn3nnnc23)C1 1407565608 ZVYWOMSQOGODJX-NXEZZACHSA-N 313.321 -0.385 30 20 DBED C[C@H](C(=O)NC1CN(C(=O)c2cc(C#N)c[nH]2)C1)S(C)(=O)=O 1409074396 LYLBELZLSXKMMA-MRVPVSSYSA-N 324.362 -0.740 30 20 DBED CO[C@@H]1CCCN(C(=O)CCn2cc(C#N)c(O)nc2=O)C1 1411934307 QXPKMOJMZAPMBS-LLVKDONJSA-N 306.322 -0.152 30 20 DBED CNC(=O)NCC(=O)NC[C@@H](C)N(C)C(=O)c1c[nH]c(C#N)c1 1424191413 YLVRXWNGCZCGQL-SECBINFHSA-N 320.353 -0.608 30 20 DBED C[C@H](C#N)C(=O)N1CCC2(CC1)C[C@@H]2NC(=O)CCNC(N)=O 1427832098 WXUPBWSJRKVGON-MNOVXSKESA-N 321.381 -0.298 30 20 DBED C[C@H](C#N)C(=O)NCCN(C(=O)[C@@H]1CCC(=O)NC1)C1CC1 1431917824 UGMBCVLETKABIZ-GHMZBOCLSA-N 306.366 -0.221 30 20 DBED Cc1ocnc1CNC(=O)CCn1cc(C#N)c(O)nc1=O 1433823884 YEMAYRZKWYUXIO-UHFFFAOYSA-N 303.278 -0.177 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CN(C)C(=O)c1cc(C#N)c[nH]1 1451817793 PYHAZANYOMDVPN-MWLCHTKSSA-N 303.322 -0.405 30 20 DBED C[C@@H](NC[C@H](O)CNC(=O)c1cc(C#N)c[nH]1)c1nncn1C 1496963042 ZPRRWWCLVHRYIJ-KOLCDFICSA-N 317.353 -0.544 30 20 DBED C#CCN(CC(=O)O)C(=O)COCC(=O)NCc1cccnc1 1588407632 SERYYVIATDKWHA-UHFFFAOYSA-N 319.317 -0.739 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)O 1588548705 XCYAAZOBJCAMJI-VXGBXAGGSA-N 308.338 -0.008 30 20 DBED C=CCC[C@H](CO)NC(=O)[C@H](C)n1cnc(-c2nn[nH]n2)n1 1588578021 UKHYQJKPEJGNKD-DTWKUNHWSA-N 306.330 -0.538 30 20 DBED C=C(CCC(=O)O)C(=O)N1CCO[C@@H](CS(C)(=O)=O)C1 1588618847 BTVCPLZRVUVMQL-SNVBAGLBSA-N 305.352 -0.321 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)Cn2ccc(C(=O)O)n2)C1=O 1588836837 KAHLTIFSKZJTQV-LLVKDONJSA-N 306.322 -0.173 30 20 DBED Cc1cc(-c2nn[nH]n2)c(O)nc1C(=O)N1CCOC[C@H]1C#N 1591834594 GKJXUJDOHKCRRN-MRVPVSSYSA-N 315.293 -0.360 30 20 DBED C#C[C@H](NC(=O)N1C[C@@H](O)C[C@H](C(=O)O)C1)C1CCOCC1 1602674857 WUZNWKUQEXWARS-AVGNSLFASA-N 310.350 -0.108 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)NS(=O)(=O)[C@H](C)C(=O)O 1602755418 SRWRPQXOHKXCCP-VXNVDRBHSA-N 306.340 -0.624 30 20 DBED C=CCOC[C@H](NC(=O)CN1CCN(C2CC2)C1=O)C(=O)O 1602908612 ADVYIXMTIYQTFW-NSHDSACASA-N 311.338 -0.342 30 20 DBED C=CCOC[C@H](NC(=O)/C=C1/SCC(=O)N1C)C(=O)O 1602909816 IFAUGBFKEUBNNR-UASDCXGESA-N 300.336 -0.195 30 20 DBED Cc1cccnc1NC(=O)Cn1c(N)nc(-c2nn[nH]n2)c1C#N 1605947737 DKCZYTCGJUZYAI-UHFFFAOYSA-N 324.308 -0.141 30 20 DBED O=C(O)CNN=C1CCCc2c1cnc(O)c2-c1nn[nH]n1 1609571953 HPPLURGZNBIYIW-UHFFFAOYSA-N 303.282 -0.318 30 20 DBED C#CCCNC[C@@H]1CCCN(C(=O)Cn2cnc(C(N)=O)n2)C1 1752799688 QGXKRXXGHRTSBJ-LBPRGKRZSA-N 318.381 -0.772 30 20 DBED C#CCNC1CCC(NC(=O)CC[C@@H]2NC(=O)NC2=O)CC1 1752854706 SGAATUUYNSLRHJ-MCIGGMRASA-N 306.366 -0.375 30 20 DBED C#CCNC(=O)CN[C@@H](C)CNC(=O)c1nn(CC)nc1C 1752924523 OVHDFYHTXDAXLF-JTQLQIEISA-N 306.370 -0.936 30 20 DBED Cc1nnccc1C(=O)N1CC[C@H](CNCC(=O)NCC#N)C1 1752942411 BUIDBQIQICFJRZ-GFCCVEGCSA-N 316.365 -0.524 30 20 DBED CN(CCNCC(=O)NCC#N)C(=O)Cc1ncccc1F 1753228705 JMOITMWMVDSOQH-UHFFFAOYSA-N 307.329 -0.549 30 20 DBED C=CCNC(=O)[C@H](C)NCCN(C)C(=O)Cc1[nH]cnc1C 1753257533 ZISZQRRYBRHOGS-LBPRGKRZSA-N 307.398 -0.001 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@H](N(CCC)C(=O)CC(N)=O)C1 1753315307 XGGOCVNHDMWTJR-OLZOCXBDSA-N 322.409 -0.687 30 20 DBED C#CCNC(=O)CN1CC(CNC(=O)c2ccncc2C)C1 1753401410 DMYZZVJLNBQMKK-UHFFFAOYSA-N 300.362 -0.199 30 20 DBED CC[C@H](CNC(=O)CN1CCC(C)CC1)NCC(=O)NCC#N 1753491347 RIWHZVQQEXVDJH-CQSZACIVSA-N 323.441 -0.158 30 20 DBED C=CCNC(=O)CN1CC[C@](C)(NC(=O)c2ccn(C)n2)C1 1754681753 FWVCRVLUVQUKMK-HNNXBMFYSA-N 305.382 -0.084 30 20 DBED COCC#CCNC1(CNC(=O)[C@@]23COC[C@@H]2C3)CCOCC1 1754736313 GYKXNJCVHXBBOA-YOEHRIQHSA-N 322.405 -0.072 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)c2cn(C)nc2C)C[C@@H]1C 1755104660 ICTZFFWQQFFURL-SMDDNHRTSA-N 317.393 -0.472 30 20 DBED CCn1ccc(C(=O)N2C[C@H](C)[C@H](NCC(=O)NCC#N)C2)n1 1755116143 IORLUEJOIGMROG-WCQYABFASA-N 318.381 -0.407 30 20 DBED C[C@H](NCC(=O)NCC#N)[C@@H](C)NC(=O)CCn1cccn1 1755227493 UOGDZJOCZIFUIM-NWDGAFQWSA-N 306.370 -0.604 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@H](CO)CNC(=O)C1CC(F)(F)C1 1755626624 JNYMSKFZSOSUQJ-KOLCDFICSA-N 319.352 -0.211 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2cncn2C)[C@H]1C 1755655881 DHBVQLDFKQDOCM-NWDGAFQWSA-N 303.366 -0.638 30 20 DBED NC(=O)C1(C(=O)NC2CC(CNC(=O)C#CC3CC3)C2)CC1 1755943026 UAOVICXXFCUGCW-UHFFFAOYSA-N 303.362 -0.324 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@H](C)N(C)C(=O)c1cnnn1C 1756020546 LHTYBPUKVHMCPF-QMTHXVAHSA-N 309.370 -0.281 30 20 DBED CC(=O)NCC(=O)N[C@H]1C[C@H](CNC(=O)CSCC#N)C1 1756240550 ASGAOUJVYFJKRH-XYPYZODXSA-N 312.395 -0.610 30 20 DBED C[C@@H](C(=O)N[C@H](CO)CNC(=O)C#CC1CC1)c1ccnn1C 1756519870 PNYSRSPICJQTMR-YPMHNXCESA-N 318.377 -0.470 30 20 DBED C#CCCCC(=O)N(C)C[C@H](O)CNC(=O)[C@@H]1CC(=O)N(C)C1 1756660582 JNOZEHOLNSTJBQ-CHWSQXEVSA-N 323.393 -0.796 30 20 DBED CN(C[C@H](O)CNC(=O)C#CC1CC1)C(=O)c1ccc(O)nc1 1756678074 GSNMFXKGMBPTES-CYBMUJFWSA-N 317.345 -0.250 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)CCNC(N)=O)NC(=O)C#CC1CC1 1756822644 FTCHUNMVZBWFEE-WDEREUQCSA-N 308.382 -0.142 30 20 DBED C=CCOCC(=O)N1C[C@@H]2CCN(C(=O)c3[nH]nnc3C)[C@@H]2C1 1756967693 UUDVAYONNVZHSF-NWDGAFQWSA-N 319.365 -0.011 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccnnc1O)C2 1800453656 IVPGDCPILVAWRP-DDFAGTSDSA-N 316.317 -0.981 30 20 DBED C#CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@H](C)NC=O)CC2 1825022278 CQTUEKQMKMWZPW-DTWKUNHWSA-N 320.374 -0.177 30 20 DBED CN1CCN(S(=O)(=O)N2CCN(CCCC#N)CC2)CC1 45944732 NFGXVKYIALRFAR-UHFFFAOYSA-N 315.443 -0.600 30 20 DBED CCNS(=O)(=O)[C@H]1CCN([C@@H](C)C(=O)N(C)CCC#N)C1 92843352 PPIOCHKNUFNCLS-RYUDHWBXSA-N 316.427 -0.239 30 20 DBED C#CCNC(=O)c1ccc(S(=O)(=O)CC(=O)N(C)C)cc1 172958656 ZSVMQTKTDYSKRC-UHFFFAOYSA-N 308.359 -0.089 30 20 DBED CC[C@@H](C#N)NC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 263864790 YEYDZGCYBPYRFN-VIFPVBQESA-N 318.337 -0.758 30 20 DBED N#Cc1cc2c(nc1N1CCN3C(=O)C(=O)NC[C@H]3C1)CCC2 269038478 LMTDUKFNHWQJML-LBPRGKRZSA-N 311.345 -0.411 30 20 DBED COC[C@](C)(C#N)NC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O 269637791 XKSCOYLNWAPQJF-KBPBESRZSA-N 308.338 -0.248 30 20 DBED C=CCCOCCNC(=O)NCCN1CCCS1(=O)=O 270406286 KOVBULXRNBTBNO-UHFFFAOYSA-N 305.400 -0.086 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCCC[C@H]2[C@H](C)O)C1=O 272279780 UKGCMUHHENJGJX-QWRGUYRKSA-N 323.349 -0.275 30 20 DBED C#Cc1cccc(NC(=O)CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)c1 276386368 FIQOFOTXYBJICO-QWHCGFSZSA-N 315.329 -0.245 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C2=NN(CCO)C(=O)CC2)C1=O 281684427 KXNBLLAWFAASST-LBPRGKRZSA-N 322.365 -0.798 30 20 DBED C=CCN1CCC(NC(=O)C(=O)NCCN(C)C2CC2)CC1 285054858 OLEORXSKIPQKLA-UHFFFAOYSA-N 308.426 -0.037 30 20 DBED CC[C@@H]1C(=O)NCCN1CCS(=O)(=O)c1ccc(C#N)cn1 290450433 VZNRQCITDMMWIT-GFCCVEGCSA-N 322.390 -0.063 30 20 DBED C=C[C@@H](CO)Nc1nc(NCCOC)nc(N[C@H](C=C)CO)n1 291255333 YQURSAPSLAHJSO-PHIMTYICSA-N 324.385 -0.153 30 20 DBED C#CCN(CC(=O)NCCCOC)CC(=O)NCCCOC 298464635 ZSCGSAPCGJVWJC-UHFFFAOYSA-N 313.398 -0.773 30 20 DBED O=C([C@H]1CCCO1)N1CCN(/C(O)=N/[C@@H]2[C@H]3COC[C@H]32)CC1 330024026 JMIWBAGHOVIUGQ-XQHKEYJVSA-N 309.366 -0.132 30 20 DBED C[C@H](C(=O)N(C)CC(=O)N1CCO[C@H](C#N)C1)n1cccn1 330656635 OYPJMDOMVCUYGK-VXGBXAGGSA-N 305.338 -0.347 30 20 DBED CN(C)CCn1ccc(N/C(O)=N/CC(=O)N2CCOCC2)n1 330691082 WXIWKDQYDWVIPU-UHFFFAOYSA-N 324.385 -0.371 30 20 DBED COC[C@@H]1CN(/C(O)=N/CCC(=O)N2CCOCC2)CCO1 330938494 VJQZXNXPFZOFBA-LBPRGKRZSA-N 315.370 -0.504 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCN(C(=O)C2CC2)C1 333852655 NYNTUNZXHBDANY-JTQLQIEISA-N 300.384 -0.166 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCO[C@H](C(=O)NC)C1 336937293 GTMSLROUYFURQB-QWRGUYRKSA-N 318.399 -0.840 30 20 DBED CSC[C@](C)(O)CNS(=O)(=O)N1CCO[C@H](C#N)C1 337095769 QNUOWDDPJRGUNM-NXEZZACHSA-N 309.413 -0.841 30 20 DBED COC[C@@](C)(NS(=O)(=O)N(C)[C@@H](C)CC#N)C(=O)OC 337889276 GCWRESFBRQMDEI-GXSJLCMTSA-N 307.372 -0.367 30 20 DBED Cn1c(=O)ccn(CC(=O)NCC#Cc2cccc(F)c2)c1=O 338158997 XRMHOCMVFRZVEJ-UHFFFAOYSA-N 315.304 -0.146 30 20 DBED CNS(=O)(=O)c1cccc2c1CCN(CC(=O)NCC#N)C2 342063028 NZHYUCIHMTYHBI-UHFFFAOYSA-N 322.390 -0.407 30 20 DBED C=CCNC(=O)CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 348125240 OAXDFGYUCYOGEW-UHFFFAOYSA-N 314.323 -0.044 30 20 DBED C=CCCC[C@H](C)NC(=O)C(=O)N1CC[C@@H](S(N)(=O)=O)C1 352239436 VVEGKCKLMYVRBH-WDEREUQCSA-N 317.411 -0.263 30 20 DBED C=C[C@H](CO)NC(=O)C(=O)Nc1ccc(-n2cnnn2)cc1 354648120 IKOXTLVUYKXCHB-SECBINFHSA-N 302.294 -0.736 30 20 DBED N#Cc1ccc(NC(=O)CN2CC[C@@H](S(N)(=O)=O)C2)cc1 357360340 DFBQANWICJRZCR-GFCCVEGCSA-N 308.363 -0.140 30 20 DBED Cn1c(=O)c2ccn(CC(=O)N(CC#N)C3CC3)c2n(C)c1=O 362631663 YILGGRSYOQRCTN-UHFFFAOYSA-N 315.333 -0.447 30 20 DBED C[C@@H]1CC(=O)NCCN1CC#CCN1CCNC(=O)C[C@H]1C 367449051 MMBTUOUPNJGDCM-ZIAGYGMSSA-N 306.410 -0.589 30 20 DBED C[C@H](C#N)CN(C)C(=O)C(=O)N1CC(=O)N(CC(F)(F)F)C1 410994892 FMYHIDMWIBVNEP-MRVPVSSYSA-N 320.271 -0.205 30 20 DBED N#Cc1cccc(S(=O)(=O)N(CCO)CCOCCO)c1 425192284 YTBOSUTWNCFTMX-UHFFFAOYSA-N 314.363 -0.450 30 20 DBED C#CCN1CCN(C(=O)CN2CCO[C@]3(CCO[C@@H]3C)C2)CC1 491046263 PDWQYHYASLPSLL-NVXWUHKLSA-N 321.421 -0.356 30 20 DBED C[C@@](C#N)(NC(=O)CN1C(=O)N[C@@]2(CCCNC2)C1=O)C1CC1 568626305 QKKWEPNKMJCXGE-LSDHHAIUSA-N 319.365 -0.531 30 20 DBED N#CC1CCN(C(=O)C(=O)NCC2(N3CCOCC3)CC2)CC1 572889865 DTYWAUKQZDBISV-UHFFFAOYSA-N 320.393 -0.270 30 20 DBED COCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC1CNC1 576331755 QHBKJJHUOBOWRK-UHFFFAOYSA-N 316.361 -0.379 30 20 DBED CC(C)[C@H](NS(C)(=O)=O)C(=O)N1CC[C@](O)(CC#N)C1 592842706 JZEROCXGGUCQSM-CMPLNLGQSA-N 303.384 -0.563 30 20 DBED C[C@@H](C(=O)N(C)CC(=O)N1CC[C@@](O)(CC#N)C1)n1cccn1 592843807 UQOPAVKNXQGTPK-WFASDCNBSA-N 319.365 -0.220 30 20 DBED COC(=O)C[C@H](O)CNS(=O)(=O)c1ccc(F)c(C#N)c1 599461312 CEYPEZQTIKFKDV-VIFPVBQESA-N 316.310 -0.100 30 20 DBED CCCN(C(=O)C(=O)N1CCN(CCC#N)CC1)[C@@H]1CCNC1 601585125 WQHPWTRXOMQAPW-CQSZACIVSA-N 321.425 -0.355 30 20 DBED Cc1c(C#N)c(=O)n(CCn2c(C)csc2=O)c(=O)n1C 603358535 KNPRTVLNAMSZPT-UHFFFAOYSA-N 306.347 -0.041 30 20 DBED COCCN1CCN(C(=O)NC2CCN(CC#N)CC2)CC1=O 611258169 RMMIRIGUSYNZTN-UHFFFAOYSA-N 323.397 -0.525 30 20 DBED CCOCCS(=O)(=O)NCC(=O)N1CC[C@](F)(C#N)C1 615825157 HQMKBTGWUWXYLC-NSHDSACASA-N 307.347 -0.594 30 20 DBED COCC#CCN1CCN(S(=O)(=O)Cc2ccon2)CC1 677133278 PUKRGKQYFLOSDJ-UHFFFAOYSA-N 313.379 -0.228 30 20 DBED C#CCNC(=O)CN1CCc2ccc(S(=O)(=O)NC)cc21 741805594 QBZHKTDRDOOHBI-UHFFFAOYSA-N 307.375 -0.293 30 20 DBED C=CCNC(=O)NC(=O)CN(CCS(C)(=O)=O)C1CC1 753244134 IBTZHUXQCKMNTE-UHFFFAOYSA-N 303.384 -0.493 30 20 DBED CON=Cc1ccc(C(=O)N2CCN(C(=O)CO)CC2)cc1 760207557 HMPNWVGLDBXRNX-UHFFFAOYSA-N 305.334 -0.056 30 20 DBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC(N)=O 766287140 XSMWICDUAHDGKS-MRVPVSSYSA-N 311.319 -0.746 30 20 DBED CON=CC(=O)NCC(=O)Nc1cccc2c(O)nnc(O)c12 774411891 SDLRWTFTBMWSIZ-UHFFFAOYSA-N 319.277 -0.272 30 20 DBED C=CCNS(=O)(=O)c1cc(C(=O)NOCCO)ccc1F 787284731 LBHHUTILKYETKD-UHFFFAOYSA-N 318.326 -0.056 30 20 DBED C=CCN1CC(=O)N(CCC(=O)N2CCN(C(C)=O)CC2)C1=O 794781297 IEMSYIBFXKVFIB-UHFFFAOYSA-N 322.365 -0.483 30 20 DBED C#C[C@H](NC(=O)C(=O)N(C)CCN(C)C1CC1)[C@H]1CCCO1 809305311 BDVAYURYHYFEJJ-UONOGXRCSA-N 307.394 -0.164 30 20 DBED NC(=NOCC(=O)NCC(=O)O)c1ccc(Br)o1 821345031 FDTSOLPURKLARO-UHFFFAOYSA-N 320.099 -0.120 30 20 DBED C=CCn1cc(C(=O)OCC(=O)N[C@@H](C)C(=O)N(C)C)nn1 830131352 TZWRCXJDRSPXFR-VIFPVBQESA-N 309.326 -0.786 30 20 DBED C#CCOCCNC(=O)N1CCCC[C@@H]1CNC(=O)CCN 841874252 DLRJNBAMCJZFTC-CYBMUJFWSA-N 310.398 -0.335 30 20 DBED C=CCS(=O)(=O)CCNC(=O)c1ccnc(N)c1[N+](=O)[O-] 847708174 SHMXCYLPVDYUOL-UHFFFAOYSA-N 314.323 -0.097 30 20 DBED C#C[C@@H](C)NS(=O)(=O)CCCS(=O)(=O)N(C)[C@H](C)C#N 848964507 AHQIRAWUPRXIKI-GHMZBOCLSA-N 321.424 -0.509 30 20 DBED C#CCOCCOC(=O)[C@H](C)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 853901547 DRWTWFULEPVKOI-ZOLYEBIHSA-N 321.329 -0.270 30 20 DBED C#CCN(CC(=O)NCCS(N)(=O)=O)C(=O)OC(C)(C)C 856995565 ZLSIDLLNUKRTKZ-UHFFFAOYSA-N 319.383 -0.739 30 20 DBED C#CCCN1CCN(C(=O)c2cc(C(=O)OC)nn2C)CC1 865085122 KMLADPNUCBOAHP-UHFFFAOYSA-N 304.350 -0.012 30 20 DBED Cn1ncc(CCCNC(=O)N2CCN(CCC#N)CC2)n1 868648124 KMVUEHRYDRPMSH-UHFFFAOYSA-N 305.386 -0.011 30 20 DBED CC[C@H]1COCCN1CCNS(=O)(=O)N(C)CCC#N 872643820 LCXKKGVYQUYBES-LBPRGKRZSA-N 304.416 -0.223 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)CC(N)=O)C1 938026731 KLEQOBZEPDOTMZ-MJVIPROJSA-N 309.366 -0.440 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)c3cn(C)nn3)C2)cn1 938375997 YZOHUDKNAARULE-ZDUSSCGKSA-N 324.344 -0.164 30 20 DBED CC(C)(C(N)=O)C(=O)N1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 939934366 QNRLHPDEUGATAE-SNVBAGLBSA-N 317.349 -0.271 30 20 DBED CO[C@H](C)C(=O)N1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@H](OC)C1 941468640 LQOLHHBMTQKCRB-OASPWFOLSA-N 320.349 -0.123 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)c2cn(C)cn2)C1 944550220 NCKGFLJXXKEJCL-QWRGUYRKSA-N 305.338 -0.463 30 20 DBED C#CCCN1CCC2(CC1)CN(C(=O)Cn1ncnn1)CCO2 949095374 JFJGRTPRNFHQQA-UHFFFAOYSA-N 318.381 -0.610 30 20 DBED C=CCN1CCC2(CC1)CN(C(=O)[C@@H]1CN(C)C(=O)N1)CCO2 949156220 AINUHDJGAAUHPW-ZDUSSCGKSA-N 322.409 -0.111 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1cnn[nH]1 951000968 NRPFQLPCGPSZBT-UMNHJUIQSA-N 305.338 -0.274 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@](C)(NC(=O)C2CS(=O)(=O)C2)C1 956987598 BYFVDRPPOUPKII-NOZJJQNGSA-N 313.379 -0.702 30 20 DBED N#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cccc3nc(O)[nH]c23)C1 958146216 ZZPDVXZWJWTFNR-JOYOIKCWSA-N 315.333 -0.185 30 20 DBED C=CCCN1C[C@H](CNC(=O)c2ccnc3[nH]nnc23)[C@@H](O)C1 958248082 FHHRLZWDXKVCEW-JQWIXIFHSA-N 316.365 -0.049 30 20 DBED CN(C(=O)Cc1ncc[nH]1)[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 958938917 WPFQKKZRHRFYDW-STQMWFEESA-N 316.361 -0.604 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CN(C(=O)COC)C[C@H]2C1 959791602 KXQPBZSBNQJOFQ-ZNMIVQPWSA-N 319.405 -0.353 30 20 DBED C#CCN1C[C@H]2C(NC(=O)c3cc(O)nc4ncn(C)c34)[C@@H]2C1 960234945 QEOJPOQLOAMYBP-GHMZBOCLSA-N 311.345 -0.033 30 20 DBED C#CCN1C[C@H]2[C@H](NC(=O)[C@H]3C[C@H](OC)CN3C(C)=O)[C@H]2C1 961355343 HGKUQYWJEYHMAJ-VQJWOFKYSA-N 305.378 -0.698 30 20 DBED C=C(Cl)CN1C[C@@H]2C(NC(=O)[C@@H]3CC(=O)NC(=O)N3)[C@H]2C1 961908419 AMCLIIKJTSAQBV-CIUDSAMLSA-N 312.757 -0.617 30 20 DBED C=C(C)CN1C[C@H]2[C@H](NC(=O)[C@H]3COCCN3C(C)=O)[C@H]2C1 962614145 HBTXFNJRKANICX-BARDWOONSA-N 307.394 -0.144 30 20 DBED CN(C(=O)[C@H]1CCS(=O)(=O)N1)C1CCC(NCC#N)CC1 964406776 QIMPAJCHKDSILA-HTAVTVPLSA-N 314.411 -0.439 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CN(C(=O)c3cnn[nH]3)CCO2)C1 965421316 IHNIXKDHUZJAHV-VIFPVBQESA-N 304.310 -0.982 30 20 DBED C#CCN1CC[C@@H](C)[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C1 966528813 UHDCPFFASXUUJD-OLZOCXBDSA-N 318.377 -0.993 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@@H](N[C@H]3CCC(=O)NC3=O)C2)[nH]1 968441638 DQLOLKRDHDBMGP-MNOVXSKESA-N 315.333 -0.504 30 20 DBED Cc1nn(C)c(F)c1C(=O)N[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1O 969672677 VQDOUWUFLVQPDF-QNSHHTMESA-N 323.328 -0.671 30 20 DBED CC#CCN1C[C@H]2CC[C@H]1CN2C(=O)Cn1ccc(O)nc1=O 971571734 RYLGUVUWHUFJRU-QWHCGFSZSA-N 316.361 -0.353 30 20 DBED C#CCN(C)[C@@H]1CCN(C(=O)Cc2ccc(C(N)=O)nc2)C1 971790431 YOWFJICQSDOFHC-CYBMUJFWSA-N 300.362 -0.111 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)C[C@H]3CCCC(=O)N3)C2)C1 972458495 KPFQLYCDBLEVPD-RHSMWYFYSA-N 319.405 -0.018 30 20 DBED N#Cc1cc(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c[nH]1 973192352 OHZRRPIVJRUACB-CNVPUSNMSA-N 317.305 -0.071 30 20 DBED N#CCN1C[C@H]2C[C@@H](NC(=O)CN3CC(=O)NC3=O)CC[C@H]2C1 980192678 JEPSTPCXPSPVAY-TUAOUCFPSA-N 319.365 -0.722 30 20 DBED C#Cc1cncc(C(=O)NC[C@H]2CCN(C(=O)C(N)=O)C2)c1 983204691 ZAOLLVCNFRMIPL-LLVKDONJSA-N 300.318 -0.874 30 20 DBED C#CCCN1CC[C@@]2(NC(=O)Cn3ncn(C)c3=O)CCC[C@@H]12 991476317 VCBBBJQCDRBFQC-CJNGLKHVSA-N 317.393 -0.282 30 20 DBED CC#CCN1CC[C@]2(NC(=O)CN3CC(=O)NC3=O)CCC[C@H]12 992326804 GXBUXFZYWYZKGP-BLLLJJGKSA-N 318.377 -0.325 30 20 DBED C#CCN1CCC[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)[C@@H]1C 994297442 GKULUJWVJIKTFG-WCQYABFASA-N 305.382 -0.507 30 20 DBED O=C(NCC1CN(C(=O)C#CC2CC2)C1)c1cccn2nnnc12 1002109310 YHAAGDFTHSSEFJ-UHFFFAOYSA-N 324.344 -0.274 30 20 DBED C=CCn1cc(C(=O)NC2CCN([C@@H](CC)C(N)=O)CC2)nn1 1003755154 QLFJLVZRQDXNFK-ZDUSSCGKSA-N 320.397 -0.078 30 20 DBED C[C@H](NC(=O)c1cn(C)c(=O)cn1)C1CN(C(=O)[C@H](C)C#N)C1 1006571016 VXCCIAGTOIXIGB-ZJUUUORDSA-N 317.349 -0.483 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@H]1CN2C(=O)CS(C)(=O)=O 1007168246 NLAUYVFUEUFPLF-AXFHLTTASA-N 313.379 -0.608 30 20 DBED C#Cc1ccc(C(=O)N2C[C@@H]3C(NC(=O)c4nc[nH]n4)[C@H]3C2)cn1 1013583089 HFHHVDLWPPUDAX-RYUDHWBXSA-N 322.328 -0.319 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)C1 1015991417 CZNBZLFVFHAONT-JTQLQIEISA-N 302.338 -0.202 30 20 DBED C#CCN1CCC2(CC1)C[C@@H]2NC(=O)CN1CC(=O)N(C)C1=O 1016927187 ULLCPZDYXUMNNF-LBPRGKRZSA-N 318.377 -0.516 30 20 DBED O=C(C#CC1CC1)N1CCC2(C1)CN(C(=O)Cn1cnnn1)C2 1018760042 JCNQMSRSOXKQMJ-UHFFFAOYSA-N 314.349 -0.853 30 20 DBED O=C(CC1CCOCC1)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1023238441 RZQRUWFKJJEWLW-HUUCEWRRSA-N 320.389 -0.096 30 20 DBED C=CCN1CC(NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 1030718150 NJNQLEZTYOVDSA-CABCVRRESA-N 309.410 -0.147 30 20 DBED C=CCn1cc(C(=O)NC2CN(Cc3ccnn3C)C2)nn1 1031070008 KLVWLBRPCOSFOZ-UHFFFAOYSA-N 301.354 -0.188 30 20 DBED C=CCN1CC[C@H](N2CC(CNC(=O)c3ncccn3)C2)C1=O 1032065353 AKZXLSWDYJKXDB-ZDUSSCGKSA-N 315.377 -0.075 30 20 DBED C#Cc1ccc(C(=O)NCC2CN([C@H](C)C(=O)NC)C2)cn1 1032137907 FJYOHFCVNYLDQJ-LLVKDONJSA-N 300.362 -0.141 30 20 DBED CCN(C(=O)[C@@H]1CCN(C)S1(=O)=O)[C@@H]1CCN(CC#N)C1 1033985945 KCCGFZYSIYLILX-NEPJUHHUSA-N 314.411 -0.533 30 20 DBED CC#CCN1CCO[C@H](CNC(=O)C2CCN(C(N)=O)CC2)C1 1035598907 CLHAZFMZODFLFI-CQSZACIVSA-N 322.409 -0.383 30 20 DBED C=CCN1CC[C@@H]2CN(C(=O)Cn3nc(C)n(C)c3=O)CC[C@@H]21 1036882052 GDBGVMPLZYSZDJ-KGLIPLIRSA-N 319.409 -0.001 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCN1Cc1cnnn1C 1038368769 RPDXDPGDCIHRBX-ZFWWWQNUSA-N 316.409 -0.397 30 20 DBED COC[C@@H](C)C(=O)N1CC[C@@](O)(CNC(=O)C#CC2CC2)C1 1039678497 XSKUNAPRNTWVRJ-MLGOLLRUSA-N 308.378 -0.238 30 20 DBED C#CCN1[C@H]2CCC[C@H]1CN(C(=O)CN1CCN(C)C(=O)C1)C2 1039699142 IQSFHMBLWXKEPG-GJZGRUSLSA-N 318.421 -0.541 30 20 DBED C=C(C)CCC(=O)NC[C@@]1(O)CCN(C(=O)c2nnn(C)n2)C1 1040049374 ZWKGPUULQIPRHV-AWEZNQCLSA-N 322.369 -0.740 30 20 DBED N#CCSCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCCO2)C1 1041348599 CDQNHFQBZYTHIJ-JTQLQIEISA-N 313.379 -0.888 30 20 DBED C=CCC(C)(C)C(=O)N1CC(O)(CNC(=O)[C@H]2CCC(=O)N2)C1 1042071286 LIGIZXDOGHPKOZ-LLVKDONJSA-N 323.393 -0.443 30 20 DBED C[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1NC(=O)[C@H]1CCNC1=O 1042400479 NDXLAQIZVSKFHH-ADEWGFFLSA-N 314.349 -0.575 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)[C@H](F)CC)C1 1043043357 IZIVRRCLDMKBTP-WDEREUQCSA-N 300.330 -0.538 30 20 DBED C[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2)C[C@H]1N=c1cc[nH]cc1C#N 1043098254 AVATUPSPKZENTF-LERXQTSPSA-N 313.361 -0.087 30 20 DBED CC#CCCCC(=O)N1CC(O)(CNC(=O)c2ccn(C)n2)C1 1043126534 VMKASLHDQUQGFT-UHFFFAOYSA-N 318.377 -0.083 30 20 DBED C=CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)Cn2ccnc2)C1 1043577809 XQSSUXCNGGPJHX-LBPRGKRZSA-N 322.365 -0.836 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)c2cc(OC)n(C)n2)C1 1044166386 RTWFKRRVAFDWGH-UHFFFAOYSA-N 322.365 -0.302 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)Cn2cncn2)C1 1044474906 FTSYCDHWNHVRQB-UHFFFAOYSA-N 307.354 -0.820 30 20 DBED C#CCN1[C@H]2CC[C@H]1CN(C(=O)CCn1ncn(C)c1=O)CC2 1045820373 WOMBTCUOXNMROR-KBPBESRZSA-N 317.393 -0.330 30 20 DBED CC(C)C#CC(=O)N(C)[C@H]1CN(C(=O)Cc2cnoc2)C[C@@H]1O 1048807390 NWAQXEWOOZUBPR-KBPBESRZSA-N 319.361 -0.093 30 20 DBED CN(C(=O)c1cc[nH]c1)[C@H]1CN(C(=O)CSCC#N)C[C@@H]1O 1048963009 QLEHXGJPEPWZHV-RYUDHWBXSA-N 322.390 -0.085 30 20 DBED C#CCCN1C[C@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@H]2C1 1049054212 LZRAPVHCYIJCKT-RFQIPJPRSA-N 305.378 -0.567 30 20 DBED N#Cc1ccc(N(CCO)[C@@H]2CCCN(C(=O)C(N)=O)C2)cn1 1049163993 IMCZJHJEIFYGDF-CYBMUJFWSA-N 317.349 -0.772 30 20 DBED C=C[C@@H](CC)CC(=O)N(C)[C@H]1CN(C(=O)CC(N)=O)C[C@@H]1O 1049277018 ZHWZLOBLUWSLHJ-SRVKXCTJSA-N 311.382 -0.506 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)COCC(F)F)C[C@@H]1O 1049402199 RGWHEDMKAKNTCI-GUBZILKMSA-N 319.308 -0.542 30 20 DBED C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)Cn1ncn(C)c1=O 1049561623 OBJGYCPMGIFUOD-OLZOCXBDSA-N 303.366 -0.720 30 20 DBED C#CCCN1CC[C@H]2[C@H]1CCCN2C(=O)CN1C(=O)CNC1=O 1049888108 XRWBPHZAHZBVSJ-OLZOCXBDSA-N 318.377 -0.373 30 20 DBED C#CCCN1CCOC[C@H]1CNC(=O)c1ccc(N(C)C)nn1 1051206969 CYYALDGCMMGNHB-CYBMUJFWSA-N 317.393 -0.004 30 20 DBED C[C@H](C#N)C(=O)N1CCOC2(CN(Cc3nncn3C)C2)C1 1053193959 XONARHIROZVMSD-LLVKDONJSA-N 304.354 -0.612 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)CCc1cnn(C)n1)CCO2 1053431094 GFRYAVVIVWIXGK-UHFFFAOYSA-N 317.393 -0.316 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)[C@@H]1CCN(C(C)=O)C1)CCO2 1053520693 XZMAGDKKDQXBJR-OAHLLOKOSA-N 319.405 -0.209 30 20 DBED C=CCN1CC2(C1)CN(C(=O)c1nccnc1C(N)=O)CCO2 1053527651 WBFIURDBAZQWRJ-UHFFFAOYSA-N 317.349 -0.712 30 20 DBED N#CCN1CC2(C1)CN(C(=O)c1cncc(C(N)=O)c1)CCO2 1053535553 TYXCZOTYAPIBSO-UHFFFAOYSA-N 315.333 -0.769 30 20 DBED Cc1nc(O)[nH]c1C(=O)NC[C@@H]1CCC2(CN(CC#N)C2)O1 1053614058 FTBKKMLEQBFGKZ-JTQLQIEISA-N 305.338 -0.090 30 20 DBED COc1cncc(C(=O)N[C@@H]2COC3(C2)CN(CC#N)C3)n1 1053946570 YDZLPXFPZXSERG-JTQLQIEISA-N 303.322 -0.418 30 20 DBED C=C(Cl)CN[C@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@H]1C 1054820949 WPIUJCISYVBCFX-KOLCDFICSA-N 313.789 -0.229 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2CN(C(=O)CCOC)C[C@@H]2C1 1055121438 YZSJWWHAPIIWOZ-MELADBBJSA-N 308.378 -0.022 30 20 DBED Cn1nncc1C(=O)NC1[C@H]2CN(c3ccc(C#N)nn3)C[C@H]12 1056195491 UUWRNLKIELQXHM-UWVGGRQHSA-N 310.321 -0.659 30 20 DBED CN(c1cncc(C#N)n1)[C@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1 1056948253 WMCFIFWCFDARQL-RYUDHWBXSA-N 314.349 -0.336 30 20 DBED C=CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)c1cccnn1 1057921940 TZFYGWALCHLHBI-LBPRGKRZSA-N 322.365 -0.382 30 20 DBED N#Cc1ccc(N2CCC[C@H](NC(=O)Cn3ncnn3)C2)nc1 1058196873 IDCLCFYCSWGSSA-LBPRGKRZSA-N 312.337 -0.275 30 20 DBED Cn1nnc(C(=O)N[C@@H]2CCCN(c3ccncc3C#N)C2)n1 1058219360 QRWOHEMHQQSSBF-LLVKDONJSA-N 312.337 -0.124 30 20 DBED C#CCC1(C(=O)NCCN(CCO)C(=O)c2cnon2)CCC1 1058511897 OONQOBNOFNYORZ-UHFFFAOYSA-N 320.349 -0.186 30 20 DBED C=CCCCC(=O)N(CCO)CCNC(=O)[C@@H]1COCCO1 1058621747 PQWNKMKJXYCRRR-ZDUSSCGKSA-N 314.382 -0.305 30 20 DBED Cn1nnc(C(=O)N2CC[C@@H](CNc3cncc(C#N)n3)C2)n1 1060965131 ZSMLGEFRGPRQJI-VIFPVBQESA-N 313.325 -0.554 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCN(C(=O)[C@H](C)NC(N)=O)CC2)C1 1061113843 ZGUUMWYWLAEGQH-QWRGUYRKSA-N 321.381 -0.346 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)c1ccnnc1 1061852837 NHVDFQWXAXOFEL-ZYHUDNBSSA-N 303.322 -0.407 30 20 DBED CN(C[C@H]1CCN(C(=O)CC(N)=O)C1)c1cnc(C#N)cn1 1062099723 ITDKLTOMBHLLNK-SNVBAGLBSA-N 302.338 -0.492 30 20 DBED C#CCCCC(=O)N1CCCC[C@@H]1CNC(=O)CNC(N)=O 1062167727 OJGOJISSDDGSAH-GFCCVEGCSA-N 308.382 -0.045 30 20 DBED C#CCO[C@@H](C)C(=O)NC1(CNC(=O)[C@@H](C)NC(C)=O)CCC1 1062462384 XFTJSIXTDCEOEE-NEPJUHHUSA-N 323.393 -0.296 30 20 DBED C#CCNC(=O)CC(=O)NC1(CNC(=O)CC(C)(C)O)CCC1 1062880828 YAYKBHXZJSQLPI-UHFFFAOYSA-N 323.393 -0.558 30 20 DBED CN(C(=O)c1cnn(C)n1)[C@@H]1CCN(c2ccc(C#N)nn2)C1 1062955533 UEZUOUQXUVXXHS-LLVKDONJSA-N 312.337 -0.172 30 20 DBED C#CCOCCC(=O)NCC1(NC(=O)CNC(=O)CC)CCC1 1063038819 TTWDMKLTOXEYQN-UHFFFAOYSA-N 323.393 -0.292 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)[C@@H]2CN(C)C(=O)N2)CCC1 1063915919 UXQPSFXZYAAKHB-UWVGGRQHSA-N 307.354 -0.675 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)C[C@H]2CC(=O)NC2=O)CCC1 1064309874 CMNXIPYQQYYTLR-NXEZZACHSA-N 320.349 -0.646 30 20 DBED N#Cc1nc(=NC[C@@H]2CCCN2C(=O)[C@H]2COCCO2)cc[nH]1 1064866915 GCIROHQSDHAREI-NWDGAFQWSA-N 317.349 -0.412 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)[C@H]2COCCO2)CCO1 1064881114 OCOUXFUXUSQGGI-ZIAGYGMSSA-N 324.377 -0.451 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)CCCOC)CCO1 1064906543 YJLYUQVJVXTNRI-ZDUSSCGKSA-N 314.382 -0.041 30 20 DBED C#CCCCCC(=O)NC[C@@H]1CN(C(=O)c2cnn[nH]2)CCO1 1065328038 KEOWBLZZVQMBIO-GFCCVEGCSA-N 319.365 -0.045 30 20 DBED CNC(=O)C1(C(=O)N2CCO[C@H](CNC(=O)[C@@H](C)C#N)C2)CC1 1065334503 GIRPHTOFYOSTPB-WDEREUQCSA-N 322.365 -0.984 30 20 DBED C[C@H](C#N)C(=O)N(C)CCCN(C)C(=O)C(=O)NCC(F)F 1067723641 RBJOBXAKCFMIES-SECBINFHSA-N 318.324 -0.166 30 20 DBED Cn1cnc(C(=O)NC[C@H]2[C@@H]3CN(c4cncc(C#N)n4)C[C@H]23)n1 1068170928 OWOLPQNZMNJWKK-CNDDSTCGSA-N 324.348 -0.411 30 20 DBED C#CCOCCC(=O)N1CCC[C@@H](NC(=O)[C@@H](C)NC(C)=O)C1 1070729546 QBPHAQZRRNVIRV-TZMCWYRMSA-N 323.393 -0.342 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)c4cc[n+]([O-])cc4)C[C@@]3(C1)O2 1070751527 LQCFHLKIASECJW-BFYDXBDKSA-N 313.357 -0.132 30 20 DBED C#CCCN1C[C@H]2C[C@@H]3CN(C(=O)c4ncn(C)n4)C[C@@]3(C1)O2 1070795545 XBFRMDGCUFISPC-XJKCOSOUSA-N 315.377 -0.246 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCC[C@@H](NC(=O)CNC(C)=O)C1 1070902391 FDJDXYVVCYHJKM-WCQYABFASA-N 311.382 -0.179 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)COC)C1 1070921611 GCJRPADWZPAPPW-KGLIPLIRSA-N 307.394 -0.162 30 20 DBED CC#CCCCC(=O)N1CCC[C@@H](NC(=O)CNC(N)=O)C1 1071117010 OWUMOIXFSUDLOU-GFCCVEGCSA-N 308.382 -0.045 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1C 1071558113 VQMSUYOKUCZPSE-NWDGAFQWSA-N 304.354 -0.560 30 20 DBED CC(C)C#CC(=O)N1CCC(C)(NC(=O)[C@@H]2CNC(=O)N2)CC1 1073010703 VQVQXIGHFOSDAJ-LBPRGKRZSA-N 320.393 -0.176 30 20 DBED C#CCO[C@H](C)C(=O)N1CCN(C2CN(C(=O)CC)C2)CC1 1073572650 JACFWILLJCPSKP-CYBMUJFWSA-N 307.394 -0.210 30 20 DBED C#CCCN1CCCO[C@@H](CNC(=O)[C@@H]2CN(CC)CCO2)C1 1073896631 WPPAEXNVHBUGDD-HOTGVXAUSA-N 323.437 -0.063 30 20 DBED COc1nn(C)cc1C(=O)N1CC[C@H]2OCCN(CC#N)[C@@H]2C1 1074314456 GKCHJRWVUBPNTD-CHWSQXEVSA-N 319.365 -0.132 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H](C)CCNC(=O)CS(C)(=O)=O 1075817050 DZDNEDJOFJIPAD-GXFFZTMASA-N 320.411 -0.631 30 20 DBED N#CCN1C[C@@H]2CCN(C(=O)CC[C@H]3NC(=O)NC3=O)[C@@H]2C1 1076548868 LJAIJAISFUTHJR-HBNTYKKESA-N 305.338 -0.969 30 20 DBED Cn1cc2c(n1)CCC[C@H]2C(=O)N[C@@H]1CN(CC#N)C[C@H]1O 1077576157 CIKZGQYGFIHTLA-LERXQTSPSA-N 303.366 -0.475 30 20 DBED C#CCCCC(=O)N[C@@H](C)CCNC(=O)CN1CC(=O)NC1=O 1077819342 RDOCJUDPNLFFGW-NSHDSACASA-N 322.365 -0.647 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)c2nc3ncccn3n2)C1 1077869237 VIOTVDJNQPGEAK-VXGBXAGGSA-N 316.365 -0.135 30 20 DBED C=CCCO[C@@H](C)C(=O)N[C@@H](C)CCNC(=O)c1nnn(C)n1 1077879347 CYFHSPMKLYPTGG-QWRGUYRKSA-N 324.385 -0.184 30 20 DBED C=CCOCC(=O)N[C@@H](C)CCNC(=O)[C@H]1CCC(=O)N1C 1077950602 ZPYVSOFIOPGJNQ-NWDGAFQWSA-N 311.382 -0.179 30 20 DBED C=CCOc1cccnc1C(=O)N[C@@H]1CN(CCCO)C[C@H]1O 1077977560 DHLDHTVLZNXXTM-CHWSQXEVSA-N 321.377 -0.196 30 20 DBED C=CCCOCC(=O)N1CC(N(CC)C(=O)[C@@H]2CCC(=O)N2)C1 1080182497 NYMFWNDQCALUIQ-ZDUSSCGKSA-N 323.393 -0.083 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2ncc[nH]2)C1 1081453893 ZYDYYTNVEAONNC-MNOVXSKESA-N 308.338 -0.839 30 20 DBED CC#CCN1C[C@@H](NC(=O)c2ccnc(OC)n2)[C@H](OC)C1 1081932692 SFEGBPUNFOUOKJ-CHWSQXEVSA-N 304.350 -0.063 30 20 DBED C=CCOCC(=O)NC[C@@H]1CCCCN1C(=O)Cn1nccn1 1082098794 VGOKJBGVOBEOAJ-ZDUSSCGKSA-N 321.381 -0.022 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)Cc2nn(C)c3ccccc23)C1 1083464333 BPUBJDTXEYYRJL-ZBFHGGJFSA-N 312.373 -0.090 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CN3CC4CC3(CO2)C4)C1 1083655042 SBNQDGIUGYYBLD-CLPSQLOGSA-N 319.405 -0.966 30 20 DBED COCCn1nc(C(=O)N(C)C[C@H]2CCN2CC#N)ccc1=O 1085710033 WXRZCHYDKLZSBF-GFCCVEGCSA-N 319.365 -0.440 30 20 DBED N#CCN[C@H]1C[C@@H](CNC(=O)[C@]23C[C@H]4C[C@H](C(=O)N2)[C@H]3C4)C1 1086130278 MGYJVOUQNLQLIR-WQBRVEQDSA-N 302.378 -0.091 30 20 DBED Cn1cc(C(=O)N2C[C@@H](NCC#N)[C@H](c3cnn(C)c3)C2)cn1 1086966723 PSOSRSKSBRATGE-UONOGXRCSA-N 313.365 -0.125 30 20 DBED CC1(C)C[C@@H](NC(=O)CN2C(=O)CNC2=O)CCN(CC#N)C1 1089556324 PRSLICDBRJPAMB-NSHDSACASA-N 321.381 -0.331 30 20 DBED N#Cc1cnc(N2CC=C(CCNC(=O)CC(N)=O)CC2)cn1 1089821898 BLPLCYZKZODQAY-UHFFFAOYSA-N 314.349 -0.134 30 20 DBED N#CCN1CC[C@H](NC(=O)c2cnc3[nH]nnc3c2)[C@H](O)C1 1090328015 WXVAPJRUNAFNKX-GXSJLCMTSA-N 301.310 -0.959 30 20 DBED COCc1nc(C)cc(N2C[C@@H](O)[C@H](NC(=O)[C@H](C)C#N)C2)n1 1090391741 LGCUAOOWMDPMPB-YUSALJHKSA-N 319.365 -0.243 30 20 DBED CCN(C)CCC(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1O 1090473959 ZQHWTVYUTPOZDK-CHWSQXEVSA-N 318.381 -0.644 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)[C@H](O)C1 1090794352 OZXTXLXGCWJUJQ-VXGBXAGGSA-N 324.381 -0.992 30 20 DBED CO[C@@H]1CN(c2cc(C)nc(CO)n2)C[C@H]1NC(=O)[C@@H](C)C#N 1090865205 RRHMSIVZFVWZCC-MVWJERBFSA-N 319.365 -0.243 30 20 DBED CNC(=O)CC(=O)NCC1CC(Nc2ccc(C#N)nn2)C1 1092214468 UFQXYRWZENIBAE-UHFFFAOYSA-N 302.338 -0.209 30 20 DBED N#Cc1nc(=NC2CC(CNC(=O)Cn3cncn3)C2)cc[nH]1 1092219578 SPCKFNHZGWRMTR-UHFFFAOYSA-N 312.337 -0.631 30 20 DBED CN1CCC(OCC(=O)NCCN=c2cc[nH]c(C#N)n2)CC1 1093815300 WHMYTUVWYRGKOR-UHFFFAOYSA-N 318.381 -0.591 30 20 DBED CNS(=O)(=O)CCC(=O)NCCNc1ccc(C#N)nc1 1093878647 VSZALDDVUHDMSB-UHFFFAOYSA-N 311.367 -0.579 30 20 DBED CCc1nc(C#N)cc(NCCNC(=O)[C@@H]2CCCNC2=O)n1 1093945645 BTRGEAAJLKRSON-LLVKDONJSA-N 316.365 -0.035 30 20 DBED N#Cc1c[nH]ccc1=NCCNC(=O)C[C@@H]1CCS(=O)(=O)C1 1093991585 DMMXAICAUYGOKE-NSHDSACASA-N 322.390 -0.272 30 20 DBED Cc1cc(=NCCCNC(=O)Cn2cnnc2O)c(C#N)c[nH]1 1094374131 ZDVATUBNYJHIGJ-UHFFFAOYSA-N 315.337 -0.401 30 20 DBED C#CCCN1CCN(C(=O)c2cn[nH]c2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094611464 KOYSKJSDBZYNIT-QWHCGFSZSA-N 322.390 -0.644 30 20 DBED COc1nc(C(=O)N[C@H]2CC(=O)N(C3CN(CC#N)C3)C2)co1 1094767251 XLMRPFWNOBAYJF-VIFPVBQESA-N 319.321 -0.778 30 20 DBED CNC(=O)NCCC(=O)N1CC[C@@H](Nc2ccc(C#N)nn2)C1 1095031872 HRDUZMFINFAHQI-LLVKDONJSA-N 317.353 -0.320 30 20 DBED CN(CCCNC(=O)[C@H]1CCNC(=O)C1)c1ccnc(C#N)n1 1095516377 SCBKCCZLEIRGKN-NSHDSACASA-N 316.365 -0.183 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CCN(c2nc(O)c3cnn(C)c3n2)C1 1096338956 OAYNGNCNHXYWIK-BDAKNGLRSA-N 315.337 -0.077 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H](CNC(=O)[C@@H]1CCC(=O)N1)C1CC1 1096699136 ZLIMKWUDFGAEJD-KBPBESRZSA-N 313.361 -0.040 30 20 DBED N#Cc1nccnc1N[C@H](CNC(=O)C1(C(N)=O)CC1)C1CC1 1096795970 XEKYJPLDXJFAJN-LLVKDONJSA-N 314.349 -0.080 30 20 DBED N#Cc1nc(=N[C@H]2C[C@H](NC(=O)CO[C@@H]3CCOC3)C2)cc[nH]1 1097071150 FNXMAUNZAJTNBV-IJLUTSLNSA-N 317.349 -0.365 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@H]1C[C@@H](Nc2ccc3nnnn3n2)C1 1097175153 GQJQOPJXTHGJBI-RBZYPMLTSA-N 317.353 -0.095 30 20 DBED C#CCN(CCO)C1CCN(C(=O)c2ccn(C)c(=O)c2)CC1 1098408110 DJMJIXPARMGJSE-UHFFFAOYSA-N 317.389 -0.083 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)c2cnn(CC)n2)[C@@H](O)C1 1099801854 LJCORWOWZLYDRV-OCCSQVGLSA-N 323.397 -0.334 30 20 DBED C#CCCCC(=O)N[C@H]1CCN(CC(=O)NC2CC2)C[C@H]1O 1099808020 ZYEXZXSBBKUKAT-UONOGXRCSA-N 307.394 -0.380 30 20 DBED C#CCC1(C(=O)N[C@H]2CCN(CC#N)C[C@H]2O)CCOCC1 1099869944 XZUJGGZBHMXJDZ-UONOGXRCSA-N 305.378 -0.119 30 20 DBED C=CCCN1CC[C@H](NC(=O)CCCS(C)(=O)=O)[C@H](O)C1 1100031262 BZZSDNWHOWZECH-QWHCGFSZSA-N 318.439 -0.061 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)c2cn(C)cn2)C1 1100244018 USESJRHMEFBDSH-UHFFFAOYSA-N 303.366 -0.733 30 20 DBED N#Cc1ccc(N2CCC[C@H]2CNC(=O)Cc2nc[nH]n2)nn1 1100860931 PCTNXAPLWMJPHP-NSHDSACASA-N 312.337 -0.206 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)[C@H](C)CCOC)C1 1101002494 BJZBTPREMCFMBH-IYXRBSQSSA-N 309.410 -0.107 30 20 DBED CCC(=O)NCC(=O)N[C@@H]1CC2(CN(CC#N)C2)n2ccnc21 1101616393 ABWOTKDVBOZNAS-LLVKDONJSA-N 316.365 -0.495 30 20 DBED COCC#CCN1C[C@@H](C)[C@H](CNC(=O)CCCC(N)=O)C1 1102615227 RMIAUFHHXUOAHN-ZIAGYGMSSA-N 309.410 -0.024 30 20 DBED CC[C@@H](CNC(=O)CN1CCOCC1)N=c1cc[nH]c(C#N)n1 1103033813 CMUJRGOQTGNILQ-LBPRGKRZSA-N 318.381 -0.591 30 20 DBED CC[C@@H](CNC(=O)[C@@H]1CCNC1=O)Nc1ccc(C#N)nn1 1103258986 ASKLCPCQHJMVAV-GXSJLCMTSA-N 302.338 -0.209 30 20 DBED CC[C@@H](CNC(=O)C1(C(N)=O)CC1)Nc1nccnc1C#N 1103281570 MQWSKLGLZGUZLD-VIFPVBQESA-N 302.338 -0.080 30 20 DBED CC(C)(O)CC(=O)NC[C@H]1CN(c2ccnc(C#N)n2)CCO1 1104308995 ZPFRCQFJUMSBNQ-NSHDSACASA-N 319.365 -0.169 30 20 DBED C=CCNCc1cn(C2CN(C(=O)[C@@H]3CC[C@@H]3C(N)=O)C2)nn1 1105300700 AWFGZTISJGOCTP-QWHCGFSZSA-N 318.381 -0.552 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCN(C)c1ncnc2c1nnn2C 1105346530 CHXGJNQCTOYHEB-VIFPVBQESA-N 302.342 -0.187 30 20 DBED CN(CCN(C)c1cnc(C#N)cn1)C(=O)CN1CCOCC1 1105372207 UWZXPJMCLHGWKY-UHFFFAOYSA-N 318.381 -0.425 30 20 DBED CN(CCN(C)c1ccnc(C#N)n1)C(=O)[C@@H]1CCNC1=O 1105534656 BBTUTMHZXWTOSD-SNVBAGLBSA-N 302.338 -0.621 30 20 DBED Cc1nc(N(C)CCN(C)C(=O)[C@@H]2CNC(=O)N2)ccc1C#N 1105542807 VDJCUNQQZHAZJZ-LBPRGKRZSA-N 316.365 -0.162 30 20 DBED CCn1ccnc1C(=O)NC[C@H](O)CNc1cnc(C#N)cn1 1105801899 FCYBDEDAPIJRML-LLVKDONJSA-N 315.337 -0.233 30 20 DBED C=CCO[C@H](C)C(=O)NC[C@@H](O)CNc1ccc(C#N)nn1 1105892029 OPOZJPSVHZYTGR-PWSUYJOCSA-N 305.338 -0.172 30 20 DBED C[C@H](CC(=O)NC[C@H](O)CNc1ccc(C#N)cn1)NC(N)=O 1105972020 ASDIIZHMMSGMTH-MWLCHTKSSA-N 320.353 -0.711 30 20 DBED N#Cc1cnc(NC[C@@H](O)CNC(=O)c2csnn2)cn1 1106053580 CORYHQSGUITFSP-MRVPVSSYSA-N 305.323 -0.597 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@@H](C)[C@H](CNCC(=O)NCC#N)C1 1106112026 VSWBLGKWJNNULX-HZSPNIEDSA-N 320.393 -0.651 30 20 DBED CC[C@@H]1OCC[C@H]1C(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1 1106183091 PPWZYKCHSYFXIG-TUAOUCFPSA-N 319.365 -0.526 30 20 DBED CCC(=O)NCC(=O)NC/C=C\CNc1nccnc1C#N 1107079033 QDPRCFWXKCYMTG-ARJAWSKDSA-N 302.338 -0.041 30 20 DBED C#CCCN1CC(n2cc(CNC(=O)CC(=O)N(C)C)nn2)C1 1107219338 QXZHLAZLJAAUHQ-UHFFFAOYSA-N 318.381 -0.747 30 20 DBED C#CCCN1CCO[C@](C)(CNC(=O)[C@H]2CCNC(=O)C2)C1 1107864394 STTUHITZZZUBRN-XJKSGUPXSA-N 307.394 -0.257 30 20 DBED COCC#CCN1CCO[C@](C)(CNC(=O)C2(C(N)=O)CC2)C1 1108175265 UEENHKIQMHAJES-OAHLLOKOSA-N 323.393 -0.891 30 20 DBED C[C@H](CNc1ccc(C#N)cn1)NC(=O)CN1CCOCC1=O 1108179128 CQASTEHEUFQOMJ-LLVKDONJSA-N 317.349 -0.271 30 20 DBED COc1cncc(C(=O)NC[C@]2(C)CN(CC#N)CCO2)n1 1108263762 ODZNEPYJLNMVIA-CQSZACIVSA-N 305.338 -0.171 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)c2c[nH]c(C(N)=O)c2)C1 1108400846 LILVMJMNAWMLQA-HNNXBMFYSA-N 304.350 -0.433 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)[C@@H](C)CS(C)(=O)=O)C1 1108424752 ROETYIJHPYEGCN-GXTWGEPZSA-N 316.423 -0.493 30 20 DBED N#CCN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCCS(N)(=O)=O)C2 1108752646 OLAVTXIHBFFSJF-SRVKXCTJSA-N 314.411 -0.452 30 20 DBED N#Cc1cncc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)CCn2cncn2)n1 1109680923 DMQALDUYFQMXAK-GMXABZIVSA-N 324.348 -0.277 30 20 DBED C#CCN(C(=O)CNC(N)=O)C1CCN(c2ncccn2)CC1 1110614734 LWPKALWTGCTWCV-UHFFFAOYSA-N 316.365 -0.425 30 20 DBED Cn1cc(C(=O)N(CCO)CCNc2ncccc2C#N)nn1 1111460788 NMQDQRIBPVQXHF-UHFFFAOYSA-N 315.337 -0.372 30 20 DBED CC1(C)CN(c2cncc(C#N)n2)CC[C@H]1NC(=O)CC(N)=O 1112370945 BOUIQUKGVYUDPW-LLVKDONJSA-N 316.365 -0.055 30 20 DBED COCCOC[C@H](O)CN1CCN(C(=O)C#CC2CC2)CC1 1112824972 NMKQHUWLGSUBJZ-OAHLLOKOSA-N 310.394 -0.432 30 20 DBED C[C@H](N=c1cc[nH]c(C#N)n1)[C@@H](C)NC(=O)c1cnn(C)c1N 1112980980 KSHSMKOXWVEPLW-DTWKUNHWSA-N 314.353 -0.295 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)CCCCC(N)=O)CC1 1113518822 YZQUNSDPTNJNCP-ZDUSSCGKSA-N 322.409 -0.686 30 20 DBED C[C@H](CNC(=O)[C@@H]1COC(=O)N1)N(C)c1nccnc1C#N 1113590369 CAEVRBQCBWRQFV-SCZZXKLOSA-N 304.310 -0.602 30 20 DBED COC[C@H](OC)C(=O)NC[C@@H](C)N(C)c1cnc(C#N)cn1 1113857571 MCCNWSWCEILKKB-PWSUYJOCSA-N 307.354 -0.049 30 20 DBED Cc1cc(C#N)nc(N2CC[C@H](C)[C@@H](NC(=O)CC(N)=O)C2)n1 1114009411 ZUADCTIYGGATTH-CABZTGNLSA-N 316.365 -0.137 30 20 DBED N#CCNC(=O)CN1C[C@H]2C(NC(=O)C[C@H]3CCCCO3)[C@@H]2C1 1114117479 PSGRFESRFCCJIH-JHJVBQTASA-N 320.393 -0.368 30 20 DBED COCC#CCN1C[C@@H]2C(NC(=O)[C@H]3C[C@@H](C)CC(=O)N3)[C@H]2C1 1114298359 IZCSCALJGLZFFN-ZOBORPQBSA-N 319.405 -0.403 30 20 DBED N#Cc1cnc(N2C[C@H]3C(CNC(=O)C(N)=O)[C@@H]3C2)c(Cl)c1 1114620714 VRLCCZHXMDWVEN-UWVGGRQHSA-N 319.752 -0.110 30 20 DBED CC#CCCCC(=O)N[C@H]1[C@@H]2CN(CC(=O)NC(=O)NC)C[C@@H]21 1114717961 FJNIHTDITHXJOQ-JYAVWHMHSA-N 320.393 -0.318 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)c3nocc3C)[C@H]2C1 1115077151 UTOBGBFMSATEMH-CIQGVGRVSA-N 316.361 -0.219 30 20 DBED N#Cc1cncc(NCCCOCCNC(=O)c2cnon2)n1 1115418464 KLPRSKPAYQLTFB-UHFFFAOYSA-N 317.309 -0.020 30 20 DBED C[C@H](CN(C)C(=O)CS(C)(=O)=O)N=c1cc[nH]cc1C#N 1115632102 IAYXIWNFPCLOCV-SNVBAGLBSA-N 310.379 -0.321 30 20 DBED Cc1nccn1C[C@@H](C)CNC(=O)C(=O)N1CCO[C@H](C#N)C1 1117075399 GGPDUDCKVMTENG-WCQYABFASA-N 319.365 -0.305 30 20 DBED C=CC[C@H](CC)NC(=O)C(=O)N1CCO[C@H](CNC(C)=O)C1 1117348466 JAKZWWGSTGLCHM-QWHCGFSZSA-N 311.382 -0.179 30 20 DBED COC[C@H](OC)C(=O)N(C)C[C@H](O)CNc1ccc(C#N)cn1 1124721905 RYWLXBYABDRCAG-OLZOCXBDSA-N 322.365 -0.154 30 20 DBED C#CCNC(=O)CC(=O)NCCNC[C@@H](O)c1ccc(F)cc1 1125997671 CPFGUEBQSQUJCV-CQSZACIVSA-N 321.352 -0.296 30 20 DBED C#CCNCc1nnc2n1CC[C@H](NC(=O)[C@@H](C)OC)CC2 1127944406 RWPYYLYDFLQRJM-VXGBXAGGSA-N 305.382 -0.143 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1ccnn1CCC 1128328335 YZDVCEOLBJHNAX-LBPRGKRZSA-N 305.382 -0.250 30 20 DBED CCOCC(=O)N1C[C@H]2C[C@@H]3CN(CC#CCOC)C[C@]2(C1)O3 1131174067 KTLZSHQUTCBYRY-BFYDXBDKSA-N 322.405 -0.026 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@]1(COC)CCOC1 1131905159 GMMWHPLVAJFWGV-DOMZBBRYSA-N 313.398 -0.564 30 20 DBED CNC(=O)CC(=O)N1CC[C@@H](C)[C@@H](CNCC#CCOC)C1 1132774292 ZTDNKCCOUIYAEC-KGLIPLIRSA-N 309.410 -0.154 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cnc2n1CCCC2 1132794824 HEDSXJNOQNTFLQ-UHFFFAOYSA-N 303.366 -0.712 30 20 DBED CCS(=O)(=O)NCC(=O)N1CC[C@@H](C)[C@@H](CNCC#N)C1 1132865508 NVGBOKFWICPOLY-NEPJUHHUSA-N 316.427 -0.477 30 20 DBED C[C@H]1CCN(C(=O)c2cc(=O)n(C)cn2)C[C@@H]1CNCC#N 1132900825 IIKRYZHUKFAJRV-RYUDHWBXSA-N 303.366 -0.008 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cc(C(C)(C)C)nn1C 1133312269 XZDAIDUGAXINPW-UHFFFAOYSA-N 319.409 -0.214 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)c1c(C)ncn1C 1134652071 FGEMAWYMRDCULH-NWDGAFQWSA-N 319.409 -0.036 30 20 DBED C[C@H](C[C@@H](C)NC(=O)c1coc(S(N)(=O)=O)c1)NCC#N 1134774087 UYZRJCGQEMLZAP-RKDXNWHRSA-N 314.367 -0.063 30 20 DBED Cc1cccc2c1C[C@H](C(=O)NCCNCC(=O)NCC#N)O2 1147999837 FUBGOCKSYKZLMR-CQSZACIVSA-N 316.361 -0.356 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)c1c(OC)ccnc1O 1148018800 JJTXUWJBMQHCHJ-SNVBAGLBSA-N 322.365 -0.194 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1n[nH]c2ccccc12 1149673609 CKUGTMUIVMKRHN-UHFFFAOYSA-N 300.322 -0.478 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)C[C@H]2CCC(=O)NC2)C1 1149842464 UXABCGIPYFCBDG-KGLIPLIRSA-N 307.394 -0.257 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)CNC(=O)C2CCC2)C1 1150777391 DJEZRUDDKLWNFK-AWEZNQCLSA-N 307.394 -0.257 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)Cc1c(C)n[nH]c1C 1150823311 UFTCFKPJAWSHJF-GFCCVEGCSA-N 305.382 -0.587 30 20 DBED CCS(=O)(=O)NCCNCCCNC(=O)CSCC#N 1154815133 WMXQFLSWYDGSEN-UHFFFAOYSA-N 322.456 -0.722 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 1160326494 LUQLVQKJYGIYLJ-VXGBXAGGSA-N 303.366 -0.642 30 20 DBED C#CCCNCCCC[C@@H](C)NC(=O)CNS(=O)(=O)NC 1171930064 NMSXGCSTRKBZPG-GFCCVEGCSA-N 318.443 -0.672 30 20 DBED C#CCNC(=O)CNCCCNC(=O)CN1[C@H](C)CC[C@H]1C 1176844955 PAYARRVCHHPXCY-ZIAGYGMSSA-N 308.426 -0.296 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)Cc2ccn(C)n2)[C@H]1C 1178662941 HPMFXZLJNFDDDB-JSGCOSHPSA-N 317.393 -0.709 30 20 DBED COCC#CCNC[C@]1(C)CN(C(=O)[C@@H]2CNC(=O)N2)C[C@H]1C 1182422375 SKMSIPFNUGCMKS-DVOMOZLQSA-N 322.409 -0.608 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1185013139 JDKADDCQAJJSNJ-POQQGIQPSA-N 305.378 -0.793 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2cn(C)nc2C)C1 1189417666 AILCOQDAILFDSF-CYBMUJFWSA-N 317.393 -0.376 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)CC(=O)NCC)C1 1189779988 XWEFTCAOGVKLCC-GFCCVEGCSA-N 310.398 -0.653 30 20 DBED C=CCCOCC(=O)N1CC[C@H]2CN(Cc3nnnn3C)C[C@H]21 1190424857 HACAXNQDXUNGDG-QWHCGFSZSA-N 320.397 -0.165 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)CCc2ccoc2)C1 1192172723 UCGJVSHJKBPWIA-ZIAGYGMSSA-N 319.361 -0.877 30 20 DBED CC(F)(F)CCC(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1O 1194211288 OQULJJRNQXWKAB-NXEZZACHSA-N 318.324 -0.777 30 20 DBED C#CCNC(=O)CC(=O)N1CCCN(Cc2nnc(C)o2)CC1 1195536128 UQXPDNIRHAKZPW-UHFFFAOYSA-N 319.365 -0.448 30 20 DBED CCNC(=O)NC(=O)CN1CCCN(C(=O)C#CC2CC2)CC1 1195754511 PGPLDSVWQXZHMI-UHFFFAOYSA-N 320.393 -0.220 30 20 DBED C#CCNC(=O)[C@H](C)N1CCCN(C(=O)CCOCC#C)CC1 1195798577 IUABVJGGAVWWFK-HNNXBMFYSA-N 319.405 -0.302 30 20 DBED CCn1ncc(C(=O)N[C@@H]2CN(CC#CCOC)C[C@H]2O)c1C 1197115571 RTPPYGBWBMZKAK-HUUCEWRRSA-N 320.393 -0.364 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)C[C@](C)(O)C2CC2)CC1 1200094502 DDJFPXYFOYYZSH-KRWDZBQOSA-N 321.421 -0.133 30 20 DBED C#CCNC[C@@H]1CN(C(=O)c2ccc3nn[nH]c3n2)CCCO1 1200641557 FUJRPLFOILZRFX-LLVKDONJSA-N 314.349 -0.193 30 20 DBED CN1CC[C@@H](CC(=O)N2CCCO[C@H](CNCC#N)C2)C1=O 1200778762 VYTWEEHIJMUEQC-QWHCGFSZSA-N 308.382 -0.415 30 20 DBED N#CCNC(=O)CNC1CCN(C(=O)Cc2cnoc2)CC1 1202144899 NKHLYOGSANFTTN-UHFFFAOYSA-N 305.338 -0.563 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)[C@@H](CC)OCC)[C@H](C)C1 1206378205 JCYPZJYUWCAAOZ-MGPQQGTHSA-N 309.410 -0.013 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 1207685148 XLXIMNOIASFTMZ-ZIAGYGMSSA-N 306.410 -0.589 30 20 DBED C=CCN(CC=C)C(=O)CN1C[C@@H](NC(=O)C(N)=O)[C@H](C)C1 1208455372 NFTXNLZJUXSVPH-VXGBXAGGSA-N 308.382 -0.891 30 20 DBED CC#CCN1C[C@@H](NC(=O)CCn2cnccc2=O)[C@H](OC)C1 1213645841 APODWYKBBOJXMF-ZIAGYGMSSA-N 318.377 -0.528 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)c2ccnn2C)C[C@H]1C 1214277574 INSMHXYHYMGTMI-VXGBXAGGSA-N 303.366 -0.780 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@H](C)NS(=O)(=O)CC)C[C@H]1C 1214683927 SFWOARAEHWMDQB-GRYCIOLGSA-N 301.412 -0.616 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)c2cn(CC)nn2)C[C@H]1C 1216118261 NSRDZRVXZUHPQS-VXGBXAGGSA-N 318.381 -0.903 30 20 DBED COCC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cnon1 1218809212 HSBHAGAKPXGBBV-QWHCGFSZSA-N 306.322 -0.755 30 20 DBED CN(C)C(=O)CCCC(=O)N1CCO[C@@H]2CN(CC#N)C[C@@H]21 1218983408 BFUUGLMERZILGS-QWHCGFSZSA-N 308.382 -0.320 30 20 DBED CC(C)n1cc(CN2C[C@H](O)[C@H](NC(=O)[C@H](C)C#N)C2)nn1 1219379209 OTWAIFXGWOCFBL-RTXFEEFZSA-N 306.370 -0.320 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CN(CC(=O)NCC(C)(C)C)C[C@@H]1O 1219381519 UXRAOFMWPRHYGO-UTUOFQBUSA-N 310.398 -0.530 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2oc(C)cc2C)C1 1219430740 MTXLPERWATXTAM-OLZOCXBDSA-N 321.377 -0.026 30 20 DBED C#CCCCCC(=O)N[C@@H]1CN([C@H]2CCN(CC)C2=O)C[C@@H]1O 1219490328 CTDNHDWGUKMCGL-ILXRZTDVSA-N 321.421 -0.038 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@H](OCC)C2CCOCC2)C1 1220085757 LXNZYLMZQFPWFH-QLFBSQMISA-N 310.394 -0.387 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)Cc2cscn2)C1 1220495289 SPGVYKMFECMRRP-NEPJUHHUSA-N 324.406 -0.851 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](NC(=O)C(=O)NCC(F)(F)F)C1 1220634962 BNWIZVXZCSKEOQ-ZJUUUORDSA-N 323.315 -0.208 30 20 DBED CCO[C@H](C)C(=O)N1C[C@H]2CCN(CC(=O)NCC#N)C[C@H]21 1221306052 XLHIIPIAOZTSFS-JHJVBQTASA-N 308.382 -0.416 30 20 DBED C#CCOCCC(=O)N1CC[C@H]2CCN(C[C@H](O)COC)[C@H]2C1 1222670844 GBVIKYPQNHAXLL-PMPSAXMXSA-N 324.421 -0.044 30 20 DBED C=CCOCCN1CC[C@@H]2CCN(C(=O)c3nnn(C)n3)C[C@@H]21 1223278172 QXBTYNJIJLVZEN-OLZOCXBDSA-N 320.397 -0.051 30 20 DBED C#CCN1CCS(=O)(=O)[C@@H](CCNC(=O)[C@H]2CCOC2)C1 1230467755 WJLHSDBJWWPKMX-STQMWFEESA-N 314.407 -0.739 30 20 DBED C=CCNC(=O)CN1CC[C@H]1CN(C)C(=O)CNC(=O)CC 1231225183 AWNPKZOSCKTSOP-LBPRGKRZSA-N 310.398 -0.653 30 20 DBED C=CCN1CC[C@H](N2CC[C@H]2CN(C)C(=O)CC(N)=O)C1=O 1231402311 UBLRNDSVTOZDFN-RYUDHWBXSA-N 308.382 -0.819 30 20 DBED CN(C[C@H]1CCN1CC(=O)NCC#N)C(=O)Cc1cccnc1 1233706667 NZEKPEKSZRUIBJ-CQSZACIVSA-N 315.377 -0.203 30 20 DBED C#C[C@@H](C)N(C)C(=O)C(=O)Nc1ccc(S(C)(=O)=O)nc1 1321008947 NMPUMQTYKXRFIF-SECBINFHSA-N 309.347 -0.096 30 20 DBED CC1(C#N)CCN(C(=O)C(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)CC1 1324294676 ZBEBMVFGLOSXQL-MNOVXSKESA-N 322.365 -0.712 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N[C@H](C)CO[C@H]1CCOC1 1327108408 RZHGRNZUJVVKMB-UTUOFQBUSA-N 300.355 -0.386 30 20 DBED C=CCN(C(=O)C(=O)N1CC[C@@](F)(CO)C1)[C@H](C)COC 1328282124 NZQJKOXWLHURCO-RISCZKNCSA-N 302.346 -0.031 30 20 DBED CN(CC1(N(C)C)CCC1)C(=O)C(=O)N1CCO[C@@H](C#N)C1 1328384200 HNCSYVJXUFUFCQ-LBPRGKRZSA-N 308.382 -0.320 30 20 DBED C#CC1CCN(C(=O)C(=O)N2CCC[C@@H](CC(N)=O)C2)CC1 1329453021 OFJOZROZSWVJNW-ZDUSSCGKSA-N 305.378 -0.028 30 20 DBED CO[C@H](C=NN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C=C[C@H]2O1)[C@@H]1CCOC1 1329731339 LRWZIMCUIBUBPZ-PCEBWVJKSA-N 306.318 -0.038 30 20 DBED NS(=O)(=O)c1cc(C(=O)NCC#CCO)cc2c1CCC2 1329904533 KMZLXWFYSHNZAX-UHFFFAOYSA-N 308.359 -0.452 30 20 DBED C=C(C)CN1CCC(NC(=O)C(=O)NC[C@H]2C[C@H](N)C2)CC1 1331176165 GDWKOODKEPLTCJ-JOCQHMNTSA-N 308.426 -0.003 30 20 DBED C#CCN(C(=O)C(=O)N1CCO[C@@H](CC(=O)OC)C1)C(C)C 1335121339 ARQDPHFUTMCPFJ-LBPRGKRZSA-N 310.350 -0.353 30 20 DBED C=CCOCCn1nnnc1N1CC(S(=O)(=O)CC)C1 1335852107 KLJHFHPMXZEAKR-UHFFFAOYSA-N 301.372 -0.501 30 20 DBED C#Cc1ccc(NC(=O)C(=O)NC[C@@H]2CN(C)CCN2C)cc1 1337888552 PLPVYBJIDUHTID-OAHLLOKOSA-N 314.389 -0.032 30 20 DBED Cn1cc(CCNC(=O)CCn2cc(C#N)c(O)nc2=O)cn1 1361660258 QGQDCHQRWZFVJT-UHFFFAOYSA-N 316.321 -0.697 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)NC[C@@H]2CNC(=O)C2)cc1 1363442026 MXBULCCMWSLOHL-NSHDSACASA-N 300.318 -0.460 30 20 DBED CCN(C[C@@H](C)C#N)C(=O)Cn1c(=O)c(C#N)c(C)n(C)c1=O 1364309367 MVCFAKSRRDIEAZ-JTQLQIEISA-N 317.349 -0.265 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)CCc1nccs1 1376619610 ISZFCDNMXRMVKV-VHSXEESVSA-N 310.379 -0.171 30 20 DBED C=C(Cl)CN1CCO[C@H](CNC(=O)CNC(=O)NC)C1 1378655092 SXKSOFDWBONSFB-SNVBAGLBSA-N 304.778 -0.515 30 20 DBED COCCN(CCNC(=O)CNC(=O)OC)C(=O)[C@@H](C)C#N 1383301183 FNMVXNNHJIROIM-JTQLQIEISA-N 314.342 -0.907 30 20 DBED COCC(=O)NCCC(=O)N[C@]1(C)CCN(C(=O)[C@@H](C)C#N)C1 1394284162 JIURRCPZQBJQHM-XHDPSFHLSA-N 324.381 -0.594 30 20 DBED COC[C@H](C)C(=O)N1CCN(CCNC(=O)[C@@H](C)C#N)CC1 1396888463 HECBPCKVWVJKNT-STQMWFEESA-N 310.398 -0.311 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H]1CNC(=O)CN1CCCC1=O 1399277097 JXDHLLCBHJTHOM-NWDGAFQWSA-N 306.366 -0.124 30 20 DBED CCS(=O)(=O)CC(=O)N1CCN(C(=O)[C@@H](C)C#N)CC1 1407053100 PQAXGCSZFIPENB-JTQLQIEISA-N 301.368 -0.748 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)Cc1ccc(F)cn1 1410151911 YRZOXMQPSGHNDC-BXKDBHETSA-N 308.313 -0.484 30 20 DBED C[C@@H]1CN(C(=O)CCn2cc(C#N)c(O)nc2=O)C[C@]1(C)CO 1412355005 FUTQPWSTCVHWEN-MEBBXXQBSA-N 320.349 -0.312 30 20 DBED COCCN(CCC#N)C(=O)c1cn(C[C@H]2CNC(=O)O2)nn1 1412506140 OROAHVVSLYGMJN-SNVBAGLBSA-N 322.325 -0.611 30 20 DBED CC(C)OCC(=O)N[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1O 1414043318 VJIGFHHDTRAJTR-OLZOCXBDSA-N 320.349 -0.387 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)CN(C)CC(C)(C)C 1431566743 GYFYQQMPFZFROR-NEPJUHHUSA-N 312.414 -0.283 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@](C)(NC(=O)CN2CCOCC2=O)C1 1432571288 GBTOZZFYAYHYRM-ABAIWWIYSA-N 322.365 -0.888 30 20 DBED C[C@H]1CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)C[C@@H]1CO 1453948618 KSESECWNQLZYEH-GXSJLCMTSA-N 306.322 -0.703 30 20 DBED CN(CCNC(=O)CCc1nc[nH]n1)C(=O)c1c[nH]c(C#N)c1 1455194954 XJFFIFIGRGOZOB-UHFFFAOYSA-N 315.337 -0.175 30 20 DBED CC1(C)CCN(CCNC(=O)Cn2cc(C#N)c(O)nc2=O)C1 1472313007 VMNQXOIFGZXMCV-UHFFFAOYSA-N 319.365 -0.331 30 20 DBED C[C@@H](C#N)C(=O)N(C)C[C@@H]1CCN(C(=O)Cn2cncn2)C1 1497939813 XICBYBKLXQUSMC-RYUDHWBXSA-N 304.354 -0.255 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CN(C)C(=O)c1cnn2cc[nH]c12 1511587439 TXXWFIKPVWZBCY-NXEZZACHSA-N 318.337 -0.629 30 20 DBED Cc1c[nH]cc1C(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1 1523842446 IASSWIVEUUWAID-SNVBAGLBSA-N 309.347 -0.097 30 20 DBED C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)NC(=O)[C@H](C)C#N 1573585652 UJERVMKMHWJGFA-HTQZYQBOSA-N 316.325 -0.411 30 20 DBED N#Cc1cn(CCC(=O)NCCC[C@H]2CCCN2)c(=O)nc1O 1580080977 NZORIOFXCYAMNN-GFCCVEGCSA-N 319.365 -0.141 30 20 DBED Cn1c(=O)[nH]c(N2CCC(C)(C#N)CC2)c(-c2nn[nH]n2)c1=O 1581746624 IAPOLZZNJZZTNY-UHFFFAOYSA-N 316.325 -0.616 30 20 DBED C[C@H](C#N)C(=O)NCCCN(C)c1cnc(-c2nn[nH]n2)cn1 1588929317 YBUZJOUOAXCMOV-SECBINFHSA-N 315.341 -0.241 30 20 DBED CCc1nc(NCCNC(=O)[C@@H](C)C#N)cc(-c2nn[nH]n2)n1 1590921336 YFQZSOFOMRLPOG-QMMMGPOBSA-N 315.341 -0.093 30 20 DBED O=C(CCN/C(O)=C1\N=CC=CC1=O)N[C@]1(C(=O)O)CCOC1 1594688596 SLQOZNAWDYOULB-GCZGRYASSA-N 323.305 -0.737 30 20 DBED N#Cc1nc(C(=O)O)ccc1N1CCC(C(=O)NCCO)CC1 1601133935 ZNLOVYWLRVLZFF-UHFFFAOYSA-N 318.333 -0.024 30 20 DBED C#CCCNC(=O)C(=O)N1CCc2ccc(-c3nn[nH]n3)cc21 1602712774 STGOPHJRIFCEGB-UHFFFAOYSA-N 310.317 -0.105 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O 1602755605 YQTLRFVRDYITHI-QXEWZRGKSA-N 313.354 -0.449 30 20 DBED C[C@](C#N)(NC(=O)CN1C[C@@H]2COC[C@]2(C(=O)O)C1)C1CC1 1602781968 MMIFHIUGAZTMMY-KCPJHIHWSA-N 307.350 -0.172 30 20 DBED C[C@@H](C#N)C(=O)NCC1(Nc2cncc(-c3nn[nH]n3)n2)CC1 1602983151 FLSPEMMYLLHVCO-QMMMGPOBSA-N 313.325 -0.123 30 20 DBED CC(C)COC[C@@H](O)CNc1cnc(-c2nn[nH]n2)c(C#N)n1 1603302340 DMTGCPDJGIZOKQ-VIFPVBQESA-N 318.341 -0.026 30 20 DBED CS(=O)(=O)N1CCC(C(=O)N(CC#N)CC(=O)O)CC1 1610375213 DCBDOAMAAGGNMU-UHFFFAOYSA-N 303.340 -0.905 30 20 DBED C#CCNC(=O)CNC[C@H]1CCCN1C(=O)Cn1ccnc1C 1716790143 ROGMHCPQEVRCMD-CQSZACIVSA-N 317.393 -0.478 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@H](NC(=O)c2cc(C)no2)C1 1752378128 MVEZNCNYVSGKHY-NEPJUHHUSA-N 304.350 -0.075 30 20 DBED CCn1ncc(C(=O)N[C@H]2C[C@H](NCC(=O)NCC#N)C2)c1C 1752673350 MLAOWJZQRKVBRS-HAQNSBGRSA-N 318.381 -0.298 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@H]1CCN(C(=O)c2cn(C)cn2)C1 1752933521 GBTSXENYUYEBQK-QWHCGFSZSA-N 317.393 -0.390 30 20 DBED Cc1n[nH]c(C)c1[C@H](C)C(=O)NCCN(C)CC(=O)NCC#N 1753067844 XJFYQRBQWDYUQS-JTQLQIEISA-N 320.397 -0.182 30 20 DBED C#CCNC(=O)[C@H](C)N(C)CCNC(=O)C[C@H]1CCN(C)C1 1753071098 YKMNJFNQLGHJRI-UONOGXRCSA-N 308.426 -0.486 30 20 DBED CCN(CCNC(=O)[C@@]1(C)CCCOC1)CC(=O)NCC#N 1753092002 BLJSITMAVMQWQY-HNNXBMFYSA-N 310.398 -0.119 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@H](CNC(=O)C2(COC)CC2)C1 1753130008 WSILDFPQDLQOMQ-ZIAGYGMSSA-N 321.421 -0.011 30 20 DBED C#CCNC(=O)CN(CCC)CCNC(=O)c1cnccn1 1753142139 QPTDEXVXTYJINJ-UHFFFAOYSA-N 303.366 -0.332 30 20 DBED N#CCNC(=O)CN1[C@H]2CC[C@H]1CN(C(=O)c1ncc[nH]1)C2 1753306170 ZRHMSHPRAUBJOE-QWRGUYRKSA-N 302.338 -0.662 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)CN1CCCC1 1753427255 FGEBGUOBUAYXAA-ILXRZTDVSA-N 318.421 -0.495 30 20 DBED Cc1[nH]nc(C(=O)N(C)CCN(C)CC(=O)NCC#N)c1C 1753849867 NWLYCNODEVAQLE-UHFFFAOYSA-N 306.370 -0.330 30 20 DBED Cc1nn[nH]c1C(=O)N1CC[C@@](C)(CNCC(=O)NCC#N)C1 1754702431 SEIIJLHHQCJEKS-AWEZNQCLSA-N 319.369 -0.805 30 20 DBED C#CCNC(=O)CN1CCC[C@H](NC(=O)CCOCC#C)CC1 1755023216 DDWAGOJDDGMTLO-HNNXBMFYSA-N 319.405 -0.254 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCOC2(CCN(CCO)CC2)C1 1755171147 LLHWTUZZVAJIRL-HNNXBMFYSA-N 312.410 -0.001 30 20 DBED C#CCNC(=O)CN[C@H](C)[C@H](C)NC(=O)Cn1ccccc1=O 1755267149 KHHVAWCRUVKWAE-OLZOCXBDSA-N 318.377 -0.920 30 20 DBED CN1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNCC(=O)NCC#N)C1 1755467281 RSDPUQMQDZXZMB-AVGNSLFASA-N 307.398 -0.795 30 20 DBED N#CCNC(=O)CNC[C@H]1CC[C@@H](NC(=O)c2cnco2)C1 1755740198 TVCPPVOYZHDRAK-WDEREUQCSA-N 305.338 -0.198 30 20 DBED C=CCNC(=O)CNC[C@H](O)CN(C)C(=O)c1cccc(O)n1 1755776388 DNWFPSCFMJWXJI-NSHDSACASA-N 322.365 -0.888 30 20 DBED CN(C[C@H](O)CNC(=O)C#CC1CC1)C(=O)Cc1ccn(C)n1 1756663279 ODMRLKUHQXQTHQ-CQSZACIVSA-N 318.377 -0.689 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)c2conc2CC)C[C@@H]1O 1757162434 WSYWZPOAUZWFIX-OLZOCXBDSA-N 323.349 -0.259 30 20 DBED N#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CC(=O)C1)C2 1795424021 XKIJWWUBKZVUSU-JJLQDPRZSA-N 319.361 -0.141 30 20 DBED C[C@@H](S)C(=O)N1CCCC12CN(C(=O)Cn1nccn1)C2 1846369910 KAWQWGVKDNDWEC-SNVBAGLBSA-N 309.395 -0.200 30 20 DBED N#Cc1ccc(CS(=O)(=O)NCCN2CCNCC2)cc1 36269636 GNPJNMLEGOADIJ-UHFFFAOYSA-N 308.407 -0.117 30 20 DBED N#Cc1ccc(Cl)cc1S(=O)(=O)N[C@H](CO)C(=O)O 37420284 DRZJHUXYVHNBDS-MRVPVSSYSA-N 304.711 -0.065 30 20 DBED N#CCSCCCN1CCN(CCS(N)(=O)=O)CC1 132084666 KTUSNTSOLBZFTK-UHFFFAOYSA-N 306.457 -0.461 30 20 DBED N#CCNC(=O)CN1CC[C@@H](S(=O)(=O)N2CCCC2)C1 135738851 QBEMJJQLBMBWSC-LLVKDONJSA-N 300.384 -0.874 30 20 DBED CN(C)c1noc(CNS(=O)(=O)c2ccc(C#N)nc2)n1 187406834 QDUHXOQUODZXRA-UHFFFAOYSA-N 308.323 -0.119 30 20 DBED CC[C@@](C)(O)CN/C(=N/C)N1CCN(c2cnn(C)c2)C(=O)C1 261616600 AWBWDMMNALKOCE-OAHLLOKOSA-N 322.413 -0.195 30 20 DBED C/N=C(/NCCN1CCOC[C@@H]1C)N1CCO[C@@H](COC)C1 262002310 UGSUMIXKTYCZHC-UONOGXRCSA-N 314.430 -0.370 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@@H](C)NC[C@H]2C)C1=O 272634742 WTKZCYCEJHRAHP-NXEZZACHSA-N 308.338 -0.828 30 20 DBED C#CCOc1ccc(C(=O)NCCN2CCNC(=O)C2)cc1 272802032 UYPSFGJXHWMDFA-UHFFFAOYSA-N 301.346 -0.140 30 20 DBED CN(C)c1ccc(S(=O)(=O)NCCn2cnc(C#N)n2)cn1 286830345 VWIHSOJQGCGFSD-UHFFFAOYSA-N 321.366 -0.411 30 20 DBED CCN1CCC[C@H]1CN/C(N)=N/C[C@H]1CCCS1(=O)=O 305065825 IQVWRWHJPALPMC-NWDGAFQWSA-N 302.444 -0.048 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)N2CCO[C@@H](C(N)=O)C2)cc1 339152721 NCRDQHLTVPRUAQ-GFCCVEGCSA-N 316.317 -0.999 30 20 DBED CC(C)N1CC[C@H](NC(=O)NCCn2cnc(C#N)n2)C1=O 345012965 BDWYNRVPRJSIAG-JTQLQIEISA-N 305.342 -0.542 30 20 DBED C=CCNC(=O)Cc1noc(C(C)(C)NS(C)(=O)=O)n1 350691959 DIWKPEXZPDEEEC-UHFFFAOYSA-N 302.356 -0.301 30 20 DBED N#CC1(C(=O)N2CCS(=O)(=O)[C@@H](C(=O)O)C2)CCCC1 424235862 GFQWCWFSDSFPRE-SECBINFHSA-N 300.336 -0.219 30 20 DBED C=CCCn1cc(C(=O)N2CCC[C@@H](O)[C@@H]2C(=O)OC)nn1 424792400 CQHKXKHZIQPPKN-VXGBXAGGSA-N 308.338 -0.007 30 20 DBED C=CCn1cc(CNC(=O)NCCNC(=O)c2cc[nH]n2)nn1 425490193 OZPPRDHTRPOZEX-UHFFFAOYSA-N 318.341 -0.584 30 20 DBED Cc1cc(NC(=O)C(=O)N[C@@H]2C[C@@H](O)C2(C)C)nn1CCC#N 426851271 OMAYEUUSTHQJHK-GHMZBOCLSA-N 319.365 0.319 30 20 DBED CCCn1c(N)c(C(=O)CN2CCO[C@H](C#N)C2)c(O)nc1=O 436124501 ITPVCZSEPGEJTQ-SECBINFHSA-N 321.337 -0.652 30 20 DBED C#C[C@@H](C)N(C)CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 491754301 SBFXCFLCIYVEDA-CQSZACIVSA-N 322.453 -0.001 30 20 DBED N#Cc1ncn(CC(=O)NCc2n[nH]cc2Br)n1 533182316 QXXCSQTXOXNVTL-UHFFFAOYSA-N 310.115 -0.048 30 20 DBED C=CCn1c(C(C)C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 548856071 BUIHANGPAMKNQF-LLVKDONJSA-N 318.381 -0.266 30 20 DBED N#Cc1ccc(S(=O)(=O)N[C@H](CC(=O)O)C(=O)O)cc1F 576331442 PMSKXRJVLHCCJK-SECBINFHSA-N 316.266 -0.096 30 20 DBED COC(=O)[C@@H]1CN(S(=O)(=O)N2CCO[C@H](C#N)C2)C[C@H]1C 592057602 FRPRXPMEKSQWAR-GMTAPVOTSA-N 317.367 -0.804 30 20 DBED C[C@H](NC(=O)C(=O)NC[C@@H]1COCCN1)c1cccc(C#N)c1 599953404 YMZGCJQGCKHFFR-SMDDNHRTSA-N 316.361 -0.160 30 20 DBED COC(=O)C[C@H](O)CNC(=O)C(=O)Nc1ccc(F)c(C#N)c1 600058729 MMXILULSRHCYQJ-JTQLQIEISA-N 323.280 -0.324 30 20 DBED Cc1nn(C)c(N2CCN(C(=O)C3(C(N)=O)CC3)CC2)c1C#N 615966034 DIKQZYXQHCSAPI-UHFFFAOYSA-N 316.365 -0.486 30 20 DBED CC#CC[C@@H](CO)NC(=O)C(=O)Nc1cnn(CC(F)F)c1 646952889 NCXWMJOXHOYOAP-VIFPVBQESA-N 314.292 -0.023 30 20 DBED C=CCN(CCOC)C(=O)C(=O)NCc1nnn(C(C)(C)C)n1 656080971 MVYWYWIBKGXNMV-UHFFFAOYSA-N 324.385 -0.295 30 20 DBED CN1CCN(CC(=O)NCCNc2ccc(C#N)cn2)CC1 732268467 ICPYGSLONPOILN-UHFFFAOYSA-N 302.382 -0.271 30 20 DBED N#CCN(CC(=O)O)C(=O)CN1C(=O)c2ccccc2C1=O 739077188 KAURKNGRVKNQAI-UHFFFAOYSA-N 301.258 -0.281 30 20 DBED C#CCCN1CCC(NC(=O)[C@@H]2CN3CCCN2CC3)CC1 764327091 PVQLTJUIIJYILP-INIZCTEOSA-N 304.438 -0.020 30 20 DBED C[C@@H](C#N)COC(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1 770949306 UPEKEXJHONECHF-DTWKUNHWSA-N 300.340 -0.210 30 20 DBED CCOC(=O)CON=C(C(=O)N[C@H](CO)C1CC1)c1cc[nH]n1 772516880 FDRPMZSNQPHJHE-LLVKDONJSA-N 324.337 -0.419 30 20 DBED N#CCCNC(=O)CN1CCC[C@H](N2CCCS2(=O)=O)C1 789370691 PAZQDYVFCVZWDR-LBPRGKRZSA-N 314.411 -0.484 30 20 DBED CCOC(=O)CON=C(C(=O)NCc1cc[nH]n1)c1cc[nH]n1 789957453 OSZIBSGZMVAYNI-UHFFFAOYSA-N 320.309 -0.267 30 20 DBED C[C@@H]1COC(=O)C1=NNC(=S)NCCN1CCOCC1 794867883 AFIXNQBYBOKFLQ-SECBINFHSA-N 300.384 -0.668 30 20 DBED CNS(=O)(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 795926808 UMPUPOVTRQDKJA-IUCAKERBSA-N 304.372 -0.201 30 20 DBED COC[C@H](C#N)OC(=O)CNS(=O)(=O)c1ccccc1N 800233868 GXZFHCLWFCSFES-VIFPVBQESA-N 313.335 -0.371 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CC[C@@H](N2CCCC2)C1)[C@@H]1CCCO1 809304840 RHXCPDXBOARLFA-ILXRZTDVSA-N 319.405 -0.020 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCO[C@H](COC)C1)[C@@H]1CCCO1 809307739 HEPBSTDDTDBVON-AVGNSLFASA-N 310.350 -0.843 30 20 DBED C#C[C@@H](NC(=O)C(=O)N(C)CCn1cccn1)[C@@H]1CCCO1 809312494 NIYDQMQPABCWCT-OLZOCXBDSA-N 304.350 -0.362 30 20 DBED CC(C)C(=O)N[C@@H](CO)C(=O)NCCNc1ccc(C#N)cn1 813407069 WOKRLVGEPVXZHD-LBPRGKRZSA-N 319.365 -0.386 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)Nn2c(O)nnc2O)cc1 820291153 BEPHSIGQUBUWJN-UHFFFAOYSA-N 302.250 -0.939 30 20 DBED CCOC(=O)[C@@H]1CCCCN1C(=O)CN(CC#N)CC(=O)O 829832972 UFCNQNJPOOLKQD-NSHDSACASA-N 311.338 -0.159 30 20 DBED C=C(CN(C)C)C(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1 844088379 ATKMEILMXOCHKI-UHFFFAOYSA-N 317.393 -0.053 30 20 DBED C#CCN1CCC[C@H](NC(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)C1 890367617 PVXWCHNYODFABS-NWDGAFQWSA-N 319.365 -0.970 30 20 DBED C#CC1(O)CN([C@H](C)C(=O)N2CCC(C(=O)OCC)CC2)C1 934442703 ZIQFENHZWSDPBS-GFCCVEGCSA-N 308.378 -0.144 30 20 DBED C=CCN[C@@H]1CN(C(=O)CN2CCS(=O)(=O)CC2)C[C@H]1C 939737270 OMIIZQLQPAWJLE-CHWSQXEVSA-N 315.439 -0.661 30 20 DBED C[C@H](C#N)C(=O)N1CCCN(C(=O)c2c[nH]c(C(N)=O)c2)CC1 941115352 DDEYIDSKAXCTPS-SNVBAGLBSA-N 317.349 -0.052 30 20 DBED COc1c[nH]c(C(=O)N[C@@H]2CCN(C(=O)[C@H](C)C#N)C2)cc1=O 941544047 GUGQPORADNPUOM-NXEZZACHSA-N 318.333 -0.126 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CN2CCC(=O)NC2=O)[C@@H](C)C1 944034011 RWUSGQUYZOIVNQ-QWHCGFSZSA-N 320.393 -0.222 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@H](CNC(=O)C23CCN(CC2)C3)C1 944683427 ZXQCDPKYRPITPL-CHWSQXEVSA-N 320.393 -0.415 30 20 DBED C[C@H](C#N)C(=O)N1CCC(NC(=O)[C@H]2CCCC(=O)N2)CC1 948098752 KUZNGGUEOIWFPL-ZYHUDNBSSA-N 306.366 -0.078 30 20 DBED CC[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)CC[C@H]1NC(=O)C(N)=O 948384676 KUERTJUPGLJBLC-GXSJLCMTSA-N 317.349 -0.271 30 20 DBED C#Cc1cncc(C(=O)N2CCN(Cc3nc(O)n[nH]3)CC2)c1 950407070 XQSOKRGFQTXUPP-UHFFFAOYSA-N 312.333 -0.155 30 20 DBED CN(C(=O)[C@@H]1COCCO1)C1CN(C(=O)c2ccc(C#N)[nH]2)C1 953769385 IBVAAZBWPKWNTL-ZDUSSCGKSA-N 318.333 -0.415 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(N(C)C(=O)[C@H]2CCNC2=O)CC1 954132548 UNIXXFUZFXEWTH-JQWIXIFHSA-N 306.366 -0.268 30 20 DBED C#Cc1cncc(C(=O)N2CC(N(C)C(=O)c3cnnn3C)C2)c1 954187460 KXQHYRJQJVZYFZ-UHFFFAOYSA-N 324.344 -0.212 30 20 DBED C#CCCN1C[C@H](CNC(=O)c2cnc3[nH]nnc3c2)[C@@H](O)C1 958149181 OWOWUNUYASAXRK-AAEUAGOBSA-N 314.349 -0.601 30 20 DBED C#CCOc1ncccc1C(=O)NC[C@@H]1CN(CC#C)C[C@@H]1O 958593961 DWRJHLVLLHQSLQ-HIFRSBDPSA-N 313.357 -0.251 30 20 DBED C=CCN1CC[C@H](N(C)C[C@H]2CCCN2C(=O)C(N)=O)C1=O 960830898 NLBQSFCRWDSIRV-NEPJUHHUSA-N 308.382 -0.819 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@]1(C)CNC(=O)C1 969410246 DERNJIFOXPHVHY-PVTKRXDGSA-N 318.377 -0.126 30 20 DBED C=CCn1cc(C(=O)N[C@H](C)C2CN(CC(=O)NC)C2)nn1 970544126 HMWFGQWFWBOQDC-SNVBAGLBSA-N 306.370 -0.740 30 20 DBED C#CCCN1CCO[C@@]2(CCN(C(=O)[C@@H]3CCC(=O)N3C)C2)C1 972501911 JELOGPOUJZTOND-YOEHRIQHSA-N 319.405 -0.066 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@@]3(CN(CCO)CCO3)C2)nc1 972642517 IXKLDYZMQLEDPT-QGZVFWFLSA-N 315.373 -0.028 30 20 DBED CC#CCN1C[C@H](NC(=O)c2cnc(O)n(C)c2=O)C(C)(C)C1 974923284 NIVCJKPFMHEESX-LBPRGKRZSA-N 318.377 -0.051 30 20 DBED Cc1c(C(=O)N2CC[C@@H]3CN(C(=O)[C@@H](C)C#N)[C@@H]3C2)nnn1C 974974030 IUIPYUOHVNGQDP-MVWJERBFSA-N 316.365 -0.044 30 20 DBED CCn1cc(CC(=O)N[C@H]2[C@@H]3CN(C(=O)[C@H](C)C#N)C[C@@H]32)nn1 976969369 AXULWZZSUKZLKT-WUWHUORYSA-N 316.365 -0.427 30 20 DBED CC#CCN1C[C@@H](NC(=O)C[C@H]2CC(=O)NC2=O)C(C)(C)C1 977677769 IANVFNXWCJUGRX-NWDGAFQWSA-N 305.378 -0.111 30 20 DBED N#CCN1C[C@H]2[C@H](CNC(=O)[C@@H]3CN4CC5CC4(CO3)C5)[C@H]2C1 978552909 GGQPWPJYWRLMJK-KSOAXJBMSA-N 316.405 -0.333 30 20 DBED C[C@H](NCc1nc(O)n[nH]1)[C@H]1CN(C(=O)C#CC2CC2)CCO1 979326456 DKZDLTVORDCNSG-CMPLNLGQSA-N 319.365 -0.371 30 20 DBED C#CCCN1C[C@H]2C[C@H](NC(=O)Cn3ncnn3)CC[C@H]2C1 979705631 AZBJIMSQVOQMGO-BFHYXJOUSA-N 302.382 -0.087 30 20 DBED CN(C(=O)C(N)=O)[C@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1 984038590 KJBITMAEMBAUKL-JTQLQIEISA-N 303.322 -0.565 30 20 DBED COCCn1nc(C(=O)N2CC[C@H](NCC#N)[C@@H]2C)ccc1=O 986512780 BUMIDQWWUHEYKG-RYUDHWBXSA-N 319.365 -0.394 30 20 DBED C=CCn1cc(C(=O)N2CC(NC(=O)Cc3cc[nH]n3)C2)nn1 990597178 MDFFMWIDXQHXHT-UHFFFAOYSA-N 315.337 -0.630 30 20 DBED N#Cc1ccc(C(=O)NC2CN(C(=O)C[C@@H]3CCC(=O)N3)C2)[nH]1 990887447 LOBZMMKHRNWQRW-VIFPVBQESA-N 315.333 -0.504 30 20 DBED C=CCn1cc(C(=O)NC2CN(C(=O)c3cnsn3)C2)nn1 991673650 NMJVZRRNUMIZFT-UHFFFAOYSA-N 319.350 -0.430 30 20 DBED C=CCN[C@@H]1CN(C(=O)Cn2ccc(O)nc2=O)CC1(C)C 996007453 ODLAUEIRFHRTBA-LLVKDONJSA-N 306.366 -0.039 30 20 DBED C[C@@H](C#N)C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cnnn1C 996207269 XHPSAYCPWXUCGO-VLEAKVRGSA-N 302.338 -0.164 30 20 DBED C[C@H](C#N)C(=O)N1CC(CNC(=O)c2cnc3[nH]nnc3c2)C1 1002618338 XHLXSYXLTYIKMZ-MRVPVSSYSA-N 313.321 -0.299 30 20 DBED N#Cc1cc(C(=O)N2CC(CNC(=O)[C@@H]3CCNC3=O)C2)c[nH]1 1003553174 HYUZVUCSQBWXQL-GFCCVEGCSA-N 315.333 -0.789 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2C(CNC(=O)c3cn(C)c(O)n3)[C@H]2C1 1009468469 QHKVGTOTMCZKOT-FBIMIBRVSA-N 317.349 -0.280 30 20 DBED COCCn1nccc1C(=O)N1CCN(C(=O)[C@H](C)C#N)CC1 1011292885 YNNSOQSTOIATIF-GFCCVEGCSA-N 319.365 -0.026 30 20 DBED C#Cc1cncc(C(=O)N2CCN(C(=O)c3nc[nH]n3)CC2)c1 1012028800 SEQQIZMZNUJSNQ-UHFFFAOYSA-N 310.317 -0.221 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)CC1 1012332963 PAKFMLUUTJQWDP-UTUOFQBUSA-N 306.366 -0.459 30 20 DBED C[C@@H]1C[C@H](NC(=O)c2nnn(C)n2)CN1C(=O)C#CC1CC1 1012590485 JVZXUYLUFWGQFU-KOLCDFICSA-N 302.338 -0.657 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2C(NC(=O)Cn3ccccc3=O)[C@H]2C1 1013078008 PHWLMYSYTAHUSG-WOPDTQHZSA-N 314.345 -0.419 30 20 DBED C#Cc1ccc(C(=O)NC2[C@H]3CN(C(=O)c4cnn[nH]4)C[C@H]23)cn1 1013511184 RWFJYIDRTWYCSJ-RYUDHWBXSA-N 322.328 -0.319 30 20 DBED C=C1CC(C)(C(=O)NC2[C@@H]3CN(C(=O)Cn4ncnn4)C[C@@H]23)C1 1013746358 KLCBANUOEGWLRM-GHMZBOCLSA-N 316.365 -0.398 30 20 DBED C[C@H]1[C@@H](NC(=O)C(N)=O)CCCN1C(=O)c1ccc(C#N)[nH]1 1015177343 HVWWISUVODCXNG-WPRPVWTQSA-N 303.322 -0.519 30 20 DBED C#CCN1CCC2(CC1)C[C@@H]2NC(=O)Cn1ncn(C)c1=O 1016700464 PVVXPDVUCRBFAM-LBPRGKRZSA-N 303.366 -0.814 30 20 DBED C[C@H](C#N)C(=O)N1CCCO[C@@H](CNC(=O)C2=COCCO2)C1 1019519287 NSGMJTQUBHQEMR-NEPJUHHUSA-N 323.349 -0.232 30 20 DBED N#CCN[C@H]1C[C@H](NC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1 1020579825 ZVPCRDVAXIBLES-XDQVBPFNSA-N 320.393 -0.083 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]2CN(C(=O)c3nnn(C)n3)C[C@H]21 1022572490 HJECQHLDTIRYKW-LPEHRKFASA-N 303.326 -0.957 30 20 DBED C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C1 1023101408 MUMRNWDRSCWVRN-KXUCPTDWSA-N 307.803 -0.333 30 20 DBED Cc1[nH]nc(C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2O)c1O 1023413994 WWVMBWGURATDES-GHMZBOCLSA-N 318.333 -0.861 30 20 DBED Cc1ccnn1CC(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1023735280 FBBXUXNYKQCXIG-ZIAGYGMSSA-N 316.361 -0.707 30 20 DBED CN(CC#N)[C@@H]1CCCN(C(=O)CC[C@H]2NC(=O)NC2=O)C1 1027672975 BDZYEACUBMOWTM-GHMZBOCLSA-N 307.354 -0.579 30 20 DBED CN(CC#N)[C@@H]1CCCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 1027683309 HDHJUWSMUXVGME-MNOVXSKESA-N 300.384 -0.876 30 20 DBED CC#CCN1CC[C@@H](CNC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 1028707351 OGOVVKDLYBTMGX-JSGCOSHPSA-N 315.377 -0.173 30 20 DBED C#CCCN1CC[C@H](CNC(=O)[C@@H]2CCN(C)S2(=O)=O)C1 1028862115 LZURAAMNOPIFHN-OLZOCXBDSA-N 313.423 -0.518 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)c3cn(C)nn3)C2)C1=O 1030276899 YJVAKNMRGDELPJ-GFCCVEGCSA-N 304.354 -0.984 30 20 DBED CN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CCN(Cc2nnn(C)n2)C1 1032993881 YXAJURUQXKMDHN-LLVKDONJSA-N 314.353 -0.244 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 1033510580 URMPLMTXWJIJAV-NSHDSACASA-N 316.365 -0.210 30 20 DBED CCN(C(=O)c1cn(CCOC)nn1)[C@H]1CCN(CC#N)C1 1033829078 HHQWWLIWJMUONE-LBPRGKRZSA-N 306.370 -0.016 30 20 DBED CC#CCN1CCCC[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 1034421628 NZRDTLPJPCOQGM-NEPJUHHUSA-N 306.366 -0.422 30 20 DBED CC#CCN1CCO[C@@H](CNC(=O)[C@@H]2CCCN2C(N)=O)C1 1035623813 ITEBSGXCFJHRNB-STQMWFEESA-N 308.382 -0.630 30 20 DBED C=CCN[C@@H]1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)C[C@@H]1C 1036052247 GGLDJAUIBNSOCU-QWHCGFSZSA-N 320.393 -0.440 30 20 DBED C=CCN[C@@H]1CCN(C(=O)Cn2ccc(O)nc2=O)C[C@H]1C 1036098822 IQEBZYKCMILNLB-VXGBXAGGSA-N 306.366 -0.039 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2[C@H]3C[C@H]2N(CC(=O)NC)C3)nn1 1037613397 JXACIUCFWXWTSA-UFGOTCBOSA-N 304.354 -0.987 30 20 DBED C=C(C)CCN1CC[C@H]1CNC(=O)[C@@H]1CCS(=O)(=O)N1 1039025317 XIFAFOCFXYFTEF-RYUDHWBXSA-N 301.412 -0.165 30 20 DBED C=CC(C)(C)C(=O)NC[C@]1(O)CCN(C(=O)c2nc[nH]n2)C1 1040488636 PJGRHRIMMITSQY-CQSZACIVSA-N 307.354 -0.290 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)c2cc(C)no2)C1 1041436256 CURUFPGGJAXFGR-UHFFFAOYSA-N 321.333 -0.674 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)c2cnn(CC)c2)C1 1042167510 UWDBFKNGHSKJAZ-UHFFFAOYSA-N 322.365 -0.591 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)/C=C/c2ccc[nH]2)C1 1042770547 QLRUYCUZFSLYEQ-AATRIKPKSA-N 319.361 -0.080 30 20 DBED O=C(C#CC1CC1)NCC1(O)CN(C(=O)CCOCC2CC2)C1 1042963365 MRNFFQDDTJWUPX-UHFFFAOYSA-N 320.389 -0.094 30 20 DBED C[C@H]1C[C@H](C(=O)N2CC(O)(CNC(=O)C#CC3CC3)C2)CO1 1042963485 NXAKHLPJBJVDGO-AAEUAGOBSA-N 306.362 -0.486 30 20 DBED O=C(CCOCC1CC1)NCC1(O)CN(C(=O)C#CC2CC2)C1 1043044255 UMSAXASKNURAOF-UHFFFAOYSA-N 320.389 -0.094 30 20 DBED C[C@@H]1CN(C(=O)[C@H]2CCNC2=O)C[C@H]1N=c1cc[nH]cc1C#N 1043433485 UFYASXHWXRUYEK-SCDSUCTJSA-N 313.361 -0.230 30 20 DBED C=CCCOCC(=O)NCC1(O)CN(C(=O)[C@H]2CCOC2)C1 1043566223 SLNVCZHQXOVSQX-LBPRGKRZSA-N 312.366 -0.695 30 20 DBED O=C(NCC1(O)CN(C(=O)C#CC2CC2)C1)[C@@H]1C[C@H]2C=C[C@H]1O2 1043616286 CQXMEJZOPIICSS-MGPQQGTHSA-N 316.357 -0.567 30 20 DBED N#Cc1cnc(N2C[C@H](O)[C@H](NC(=O)C[C@H]3CCCO3)C2)cn1 1043853464 HSPLSZMQKUECSO-UPJWGTAASA-N 317.349 -0.417 30 20 DBED C=C(C)C(C)(C)C(=O)NCC1(O)CN(C(=O)CC(=O)NC)C1 1044409424 GAAGLHDRJJDCDI-UHFFFAOYSA-N 311.382 -0.586 30 20 DBED C#CCCCCCC(=O)N1CC(O)(CNC(=O)c2cnon2)C1 1045196981 JARCCAMIDCLBDN-UHFFFAOYSA-N 320.349 -0.044 30 20 DBED C=C1CC(C)(C(=O)NCC2(O)CN(C(=O)c3cnnn3C)C2)C1 1046306570 KEVUAQPRMXDBQO-UHFFFAOYSA-N 319.365 -0.526 30 20 DBED C#CCN1C[C@H]2C[C@@H](NC(=O)Cn3c(O)nnc3O)C[C@H]1C2 1047191482 RCJUAORNMGYUQF-HBNTYKKESA-N 305.338 -0.708 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC(=O)N(CCC)C2)C1 1047545351 RQGBUHWGUNERNE-ILXRZTDVSA-N 321.421 -0.228 30 20 DBED CN(C(=O)C#CC1CC1)[C@H]1CN(C(=O)c2cc[nH]n2)C[C@@H]1O 1048821441 NRKJSMDNHPNLMV-STQMWFEESA-N 302.334 -0.533 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)[C@H]1CN(C(=O)c2cc[nH]c2)C[C@@H]1O 1048851985 ASPIOKYOBLRRNH-UBHSHLNASA-N 319.361 -0.303 30 20 DBED C=CCN1C[C@H]2CN(C(=O)CCn3ncn(C)c3=O)C[C@H]2C1 1048956968 DOZFELVXXHIJIR-BETUJISGSA-N 305.382 -0.452 30 20 DBED CC#CCN1CCOC[C@@H]1CNC(=O)c1ccn(CCOC)n1 1051015055 DLQLBDUDCOSHBP-AWEZNQCLSA-N 320.393 -0.017 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CCOC2(CN(CCO)C2)C1 1053259659 HQLWFPBZFIRVSJ-KGLIPLIRSA-N 310.394 -0.127 30 20 DBED CN1CC[C@H](C(=O)NC[C@@H]2CCC3(CN(CC#N)C3)O2)C1=O 1053642751 JJPAHFYAFQLCRK-NWDGAFQWSA-N 306.366 -0.662 30 20 DBED CC#CCN1CC2(CC[C@@H](CNC(=O)c3c[nH]c(=O)cn3)O2)C1 1053653867 AWUZCBUYLNPYOF-LBPRGKRZSA-N 316.361 -0.244 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@](CO)(NC(=O)Cn2cccn2)C1 1055763980 OHOKRRSESXCNEH-DOMZBBRYSA-N 319.365 -0.488 30 20 DBED C=CC(C)(C)CC(=O)N[C@]1(CO)CCCN(C(=O)C(N)=O)C1 1055957418 BGRDHKMQJQFWJM-OAHLLOKOSA-N 311.382 -0.456 30 20 DBED Cc1ncc(C(=O)NCCN(CCO)C(=O)C#CC2CC2)n1C 1057538993 JRUHXCPQJBWJKQ-UHFFFAOYSA-N 318.377 -0.307 30 20 DBED C=C(C)CCC(=O)N(CCO)CCNC(=O)CCn1cnnn1 1057805935 WLECIUGVLHNUBX-UHFFFAOYSA-N 324.385 -0.643 30 20 DBED Cn1cnc(C(=O)N[C@@H]2CCCN(c3ccc(C#N)nn3)C2)n1 1058154045 SCPAYNIBUPGQGJ-LLVKDONJSA-N 312.337 -0.124 30 20 DBED N#Cc1cncc(N2CC[C@@H](NC(=O)[C@@H]3COCCO3)C2)n1 1058304651 HBCKPWNHJIVVLI-PWSUYJOCSA-N 303.322 -0.541 30 20 DBED C#CCNC(=O)CC(=O)NCCN(CCO)C(=O)C1(C)CCC1 1058320107 RBUKOENEEBTFHE-UHFFFAOYSA-N 323.393 -0.747 30 20 DBED C=C1CC(C)(C(=O)NCCN(CCO)C(=O)c2nnn(C)n2)C1 1058422226 YCAHOYRFVYOFOP-UHFFFAOYSA-N 322.369 -0.883 30 20 DBED Cc1ccn(CC(=O)N2CC[C@H](N=c3cc[nH]c(C#N)n3)C2)n1 1059068608 RCDHZIPXUFPHHZ-LBPRGKRZSA-N 311.349 -0.012 30 20 DBED CN1CC[C@@H](C(=O)N2CC[C@H](CN=c3cc[nH]c(C#N)n3)C2)C1 1060879709 LCJVFYJSLWABBL-CHWSQXEVSA-N 314.393 -0.018 30 20 DBED C=CCOCC(=O)NC[C@H]1COCCN1C(=O)c1cnn(C)c1 1061421983 YPYLBNYLTXKYOR-ZDUSSCGKSA-N 322.365 -0.420 30 20 DBED C#CCCCCCC(=O)N1CCOC[C@@H]1CNC(=O)C(N)=O 1061838132 ZEULXOBFBMVCHI-LBPRGKRZSA-N 309.366 -0.601 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H]1CN(C(=O)CSC)CCO1 1064820910 GTQDAEUDWHIAEZ-NEPJUHHUSA-N 314.407 -0.269 30 20 DBED C#CCCCC(=O)N1CCO[C@@H](CNC(=O)CN(C)C(C)=O)C1 1065100081 VRVJBPVICSDXMC-AWEZNQCLSA-N 323.393 -0.388 30 20 DBED CC(C)C#CC(=O)N1CCC[C@@H](NC(=O)CNC(N)=O)CC1 1065823939 AORLMEYZIJRYOD-GFCCVEGCSA-N 308.382 -0.189 30 20 DBED N#Cc1ccc(N2C[C@H]3CN(C(=O)CC(N)=O)C[C@H]3C2)nn1 1065979835 LXEDNDSJCCUQGD-AOOOYVTPSA-N 300.322 -0.882 30 20 DBED C[C@@H]1CN(c2ncc(C#N)cc2F)CC[C@H]1NC(=O)C(N)=O 1067431135 SPMSRGLBALAGJL-LDYMZIIASA-N 305.313 -0.091 30 20 DBED CC(=O)N(C)CC(=O)N1CC2(C1)CN(C(=O)[C@H](C)C#N)CCO2 1068451731 RCHDCRPAMWRRCE-LLVKDONJSA-N 322.365 -0.936 30 20 DBED N#Cc1nccnc1NC[C@H]1C[C@H](NC(=O)[C@@H]2CCC(=O)N2)C1 1068508404 UPCYQAWEONFRPW-DCAQKATOSA-N 314.349 -0.066 30 20 DBED N#Cc1nccnc1NC[C@H]1C[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 1068573247 MKLCPTXRLBNBAZ-FXPVBKGRSA-N 315.337 -0.664 30 20 DBED C[C@H]1[C@H](Nc2cncc(C#N)n2)CCN1C(=O)CS(C)(=O)=O 1068774236 KPTNAOGLFHBHOG-GXSJLCMTSA-N 323.378 -0.206 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1COC2(C1)CN(C(=O)C(C)C)C2 1068819937 OMGJVKOHONAFLY-LBPRGKRZSA-N 321.377 -0.732 30 20 DBED N#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)C[C@@H]2CCCO2)C1 1069898295 GXADQJNRAKWVHP-XQQFMLRXSA-N 304.354 -0.288 30 20 DBED C=C[C@H](C)[C@H](C)C(=O)NCC1(NC(=O)C(N)=O)CCOCC1 1070229949 PABIPHIBNQODNK-QWRGUYRKSA-N 311.382 -0.289 30 20 DBED N#CCN1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2COCCO2)C1 1070398710 XLTMCWGAEFLHNU-AAEUAGOBSA-N 319.365 -0.246 30 20 DBED Cc1[nH]nc(C(=O)N2CCC(=O)NCCN(CC#N)CC2)c1C 1070949548 JYHMIZLFNHKQBD-UHFFFAOYSA-N 318.381 -0.186 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)[C@@H](OC)C2CC2)CC1 1070960081 UURGFMNMIBEHAR-HNNXBMFYSA-N 307.394 -0.305 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)[C@H]2C[C@H](C)CO2)CC1 1070980926 AWYUQSZZCIAQHS-UONOGXRCSA-N 307.394 -0.305 30 20 DBED C#CCC1(C(=O)N[C@@H]2CCCN(C(=O)C(N)=O)C2)CCOCC1 1071220294 DFWSMJYHLOISHT-GFCCVEGCSA-N 321.377 -0.601 30 20 DBED C#CCCN1C[C@@H](NC(=O)CN2CC(=O)NC2=O)CC[C@H]1C 1071907655 DOJBJSRCAFRXKT-NEPJUHHUSA-N 306.366 -0.469 30 20 DBED C=CCCOCC(=O)N1C[C@@H](C)[C@@H](NC(=O)Cn2ncnn2)C1 1072335331 CNLDMXYYSAAUHB-NEPJUHHUSA-N 322.369 -0.771 30 20 DBED CC(C)OCC(=O)N1CCN(C2CN(C(=O)[C@H](C)C#N)C2)CC1 1073544383 BHMTVIAQXWNANU-CYBMUJFWSA-N 322.409 -0.074 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)c3nccnc3N)C[C@@H]21 1074195296 SMOWAQRTCKUGMN-NWDGAFQWSA-N 301.350 -0.393 30 20 DBED N#CCN1CCO[C@H]2CCN(C(=O)CCc3cnn[nH]3)C[C@@H]21 1074341034 OXGCKJVASVUEPU-STQMWFEESA-N 304.354 -0.437 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CCN(C(=O)c2cncnc2)CC1 1074556561 CFKXFAUZHPWFFB-LLVKDONJSA-N 317.349 -0.280 30 20 DBED C[C@@H](CCNC(=O)CSCC#N)NC(=O)[C@H]1CCNC1=O 1075679038 DBNCEVWUEAWFBG-UWVGGRQHSA-N 312.395 -0.610 30 20 DBED C=CCOCC(=O)N[C@@H](C)CCNC(=O)CNC(=O)C1CC1 1075740538 WNNNKYRHVAQOLA-NSHDSACASA-N 311.382 -0.274 30 20 DBED C#CCN1CCC(C(=O)N[C@@H]2CN([C@@H](C)COC)C[C@H]2O)CC1 1078227246 PWPKHZUHBGKOMS-NUEKZKHPSA-N 323.437 -0.472 30 20 DBED C=C[C@@](C)(O)CC(=O)N(CC)C1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 1079689432 DBQNGLQACSWBSY-BFQNTYOBSA-N 323.393 -0.506 30 20 DBED C=CCOCC(=O)N1CC(N(CC)C(=O)C(C)(C)C(N)=O)C1 1079948413 MPBZVTMDNMXEHD-UHFFFAOYSA-N 311.382 -0.240 30 20 DBED C#CCOCCC(=O)N1CC(N(CC)C(=O)c2[nH]nnc2C)C1 1080205891 VUCNUFNOLJKYEP-UHFFFAOYSA-N 319.365 -0.174 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@@H]2CCc3nnn(C)c3C2)[C@H](C)C1 1080336599 LUTZBTBOEDEYMS-YRGRVCCFSA-N 301.394 -0.010 30 20 DBED C#Cc1ccc(C(=O)N2CC(N(CC)C(=O)C(N)=O)C2)cn1 1080401515 FPGFXNSCEHSUQP-UHFFFAOYSA-N 300.318 -0.779 30 20 DBED CCOCC(=O)NC[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1O 1081221434 UFZZEUVYBRZDAD-DGCLKSJQSA-N 320.349 -0.528 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2ncn(C)n2)C1 1081455219 JXTILUKAYHPHCT-VXGBXAGGSA-N 319.365 -0.976 30 20 DBED C=C1CC(C)(C(=O)NC[C@H]2CN(C(=O)CC(=O)NC)C[C@@H]2O)C1 1081753575 XEQSWYCDNQNCDH-RYUDHWBXSA-N 323.393 -0.586 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H](CNC(=O)C(C)(C)C)[C@@H](O)C1 1081759636 CXRQCMRGMNPQGN-RYUDHWBXSA-N 323.393 -0.893 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](CNC(=O)Cn2cncn2)C1 1081787248 CTDHIZHWRLBDKZ-VXGBXAGGSA-N 321.381 -0.574 30 20 DBED C#CCCN1C[C@@H](NC(=O)[C@@H]2CCC(=O)N(C)C2)[C@H](OC)C1 1082385923 MAGZJQILAOFTTB-MGPQQGTHSA-N 307.394 -0.307 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cc(=O)n(C)cn1 1083109965 DTZRFBWCTYIPPO-UONOGXRCSA-N 316.361 -0.671 30 20 DBED CN1CCC[C@@H]1c1cc(C(=O)N[C@@H]2CN(CC#N)C[C@@H]2O)n[nH]1 1083477548 SVTXMQIBAUIHMU-MCIONIFRSA-N 318.381 -0.525 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2cc3c(O)ncnc3cn2)C1 1084005129 JUVHZNORTGPQBV-NEPJUHHUSA-N 314.305 -0.971 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@H](C2CC2)N2CCOCC2)C1 1084079875 WWTLVPXATHRIGI-PMPSAXMXSA-N 321.421 -0.718 30 20 DBED N#CCN1CC[C@@H]2CN(C(=O)CN3CCC(=O)NC3=O)C[C@@H]2C1 1088163658 YXUAVYHOWGEKQW-NEPJUHHUSA-N 319.365 -0.768 30 20 DBED C[C@H](C[C@@H](C)Nc1ccc(C#N)nn1)NC(=O)Cn1ncnn1 1089401779 ZAPIKSOCJUUZBI-NXEZZACHSA-N 315.341 -0.270 30 20 DBED N#CCN1CC[C@@H](NC(=O)Cc2cnn3c2CCCC3)[C@H](O)C1 1090336762 KYJHFYQLAKGZKV-UKRRQHHQSA-N 317.393 -0.163 30 20 DBED Cc1nn(C)c(C)c1CC(=O)N[C@@H]1CCN(CC#N)C[C@@H]1O 1090464291 RSOCSWBBIYVXIR-KGLIPLIRSA-N 305.382 -0.346 30 20 DBED C=C1CC(C)(C(=O)N[C@H]2CCN(Cc3nnnn3C)C[C@H]2O)C1 1090554114 VPUIHPPBFAZVCT-NWDGAFQWSA-N 320.397 -0.382 30 20 DBED Cn1nnnc1CNC1CC(CNC(=O)c2c[nH]c(C#N)c2)C1 1090990376 CAUQAMQQIREIOF-UHFFFAOYSA-N 314.353 -0.292 30 20 DBED N#CCSCC(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1091075258 ZNSPSMJHUCFCMO-MNOVXSKESA-N 318.362 -0.729 30 20 DBED CC(=O)NCC(=O)N[C@H]1CCN(c2ncccc2C#N)C[C@H]1O 1092126477 NDEZASCXMJVDEE-QWHCGFSZSA-N 317.349 -0.855 30 20 DBED C[C@@]12CN(CC#N)C[C@@H]1CN(C(=O)[C@H]1CCCS1(=O)=O)C2 1092288076 MQPITGAAAMWBOQ-BZPMIXESSA-N 311.407 -0.133 30 20 DBED Cn1cc(C(=O)NCCN=c2cc[nH]c(C#N)n2)c(Cl)n1 1093740525 UQGPZVPFAHKTQG-UHFFFAOYSA-N 305.729 -0.001 30 20 DBED C=C(C)CN1CC(n2cc(CNC(=O)[C@@H]3CCC(=O)N3)nn2)C1 1094335817 OYXSJJGMJCXDQB-ZDUSSCGKSA-N 318.381 -0.394 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)Cc3[nH]cnc3C)CC2=O)C1 1094811921 VWOVMERRUZRZMR-GFCCVEGCSA-N 317.393 -0.152 30 20 DBED CC(=O)NCC(=O)NCC1CCN(c2nccnc2C#N)CC1 1095334468 VMUFRLTTWXZPSG-UHFFFAOYSA-N 316.365 -0.183 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cnn2c(=O)cc[nH]c12 1096124016 YKKGCEXRKIGKSZ-WXHSDQCUSA-N 311.345 -0.009 30 20 DBED N#Cc1cncc(N2CC[C@@H](NC(=O)CO[C@@H]3CCOC3)C2)n1 1096439079 CAYGEBSYCZXOII-DGCLKSJQSA-N 317.349 -0.151 30 20 DBED CN(C)C(=O)CC(=O)N1CC[C@H](N=c2cc[nH]c(C#N)n2)C1 1096980206 XRXXMHZWFZIZDE-JTQLQIEISA-N 302.338 -0.739 30 20 DBED C[C@@H](CNC(=O)c1cc(=O)n(C)o1)Nc1nccnc1C#N 1097782462 KWVDFMMGFIIIIJ-QMMMGPOBSA-N 302.294 -0.130 30 20 DBED C=CCN(CCO)C1CCN(C(=O)C2CS(=O)(=O)C2)CC1 1098377444 LJUOTSIUCZCHAT-UHFFFAOYSA-N 316.423 -0.498 30 20 DBED C#CCCN(CCO)C1CCN(C(=O)C(C)(C)C(N)=O)CC1 1098398124 JZKZNWVSSYWMKY-UHFFFAOYSA-N 309.410 -0.194 30 20 DBED CN1C(=O)CCC[C@@H]1C(=O)N1CCC(N(CC#N)CCO)CC1 1098550337 IRZUGXVKBAVNIE-CQSZACIVSA-N 322.409 -0.194 30 20 DBED C#CCNCc1cn([C@@H]2CCN(C(=O)Cn3cncn3)C2)nn1 1098779909 NFHZUNWRTVJJTO-CYBMUJFWSA-N 314.353 -0.934 30 20 DBED C[C@@H](CCNC(=O)[C@H]1CN(C)CCO1)Nc1ccc(C#N)nn1 1098998441 LOLHAWHEVJJPJK-WCQYABFASA-N 318.381 -0.014 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)CCCC(C)=O)[C@H](O)C1 1099673307 WBYHBZPESVPJPU-ZIAGYGMSSA-N 323.393 -0.954 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)c2[nH]ccc2C)[C@@H](O)C1 1099799087 IGIOYAKCFFSOIY-OLZOCXBDSA-N 318.377 -0.762 30 20 DBED C=C(C)CCN1CC[C@H](NC(=O)CCNC(=O)NC)[C@@H](O)C1 1099814069 YYKLJZLQUHMFBU-STQMWFEESA-N 312.414 -0.177 30 20 DBED CC(C)C#CC(=O)N[C@H]1CCN(Cc2cnn(C)n2)C[C@@H]1O 1099820662 JBFCSXJROMKPRT-KBPBESRZSA-N 305.382 -0.474 30 20 DBED C=C(Cl)CN1CC[C@H](NC(=O)CNC(=O)NC)[C@@H](O)C1 1099858575 NMXCPPCGCSGOJW-UWVGGRQHSA-N 304.778 -0.781 30 20 DBED C#CCC1(C(=O)N[C@@H]2CCN(CC(=O)NC)C[C@@H]2O)CCC1 1099873877 BMKXVDNMCPQEEW-OLZOCXBDSA-N 307.394 -0.523 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CCCC(=O)N(C)C)[C@@H](O)C1 1100077945 BACPVKHCGFFCIH-KGLIPLIRSA-N 309.410 -0.180 30 20 DBED C=CCCOCC(=O)N[C@@H]1CCN(CC(=O)N(C)C)C[C@H]1O 1100138348 HKSXCLVRTWHKCD-CHWSQXEVSA-N 313.398 -0.781 30 20 DBED CCC(CC)C(=O)NCC(=O)N[C@@H]1CCN(CC#N)C[C@H]1O 1100148548 JWIQTXVBTIVBDB-CHWSQXEVSA-N 310.398 -0.386 30 20 DBED COC[C@H](O)CNC1CC(CNC(=O)c2ccc(C#N)[nH]2)C1 1100246017 NVJQHODUDQNPCQ-KGPNIALWSA-N 306.366 -0.008 30 20 DBED C=CCNC1CC(CNC(=O)CN(C)S(=O)(=O)N(C)C)C1 1100327423 GJTKWFMYLUTRMP-UHFFFAOYSA-N 318.443 -0.605 30 20 DBED C[C@@H](C(=O)NCCN(C)c1ccnc(C#N)n1)[C@@H]1CCC(=O)N1 1100334263 WAAJHKBEFCKFQU-MNOVXSKESA-N 316.365 -0.185 30 20 DBED N#Cc1nccnc1N(CCNC(=O)CNC(N)=O)C1CC1 1101279859 FHNQEUHOOUHAKY-UHFFFAOYSA-N 303.326 -0.898 30 20 DBED CN(CCNc1ncccc1C#N)C(=O)[C@H]1CCS(=O)(=O)N1 1101626356 DZARWBPDZXZHSX-LLVKDONJSA-N 323.378 -0.485 30 20 DBED CN(CCNc1nccnc1C#N)C(=O)c1cn(C)c(=O)n1C 1101655110 XRCAYSUMDVWBJT-UHFFFAOYSA-N 315.337 -0.430 30 20 DBED COCC#CCN1C[C@@H](C)[C@H](CNC(=O)CN2CCCC2=O)C1 1101717606 IJVRAZSLFLJUGQ-HUUCEWRRSA-N 321.421 -0.057 30 20 DBED CCCN(C(=O)C(N)=O)[C@H]1CCN(c2cncc(C#N)n2)C1 1102261981 NJWKYZUNOVGKCZ-NSHDSACASA-N 302.338 -0.349 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1CCNC(=O)Cn1ncn(C)c1=O 1103164913 CANNIAVPRAPQPY-VXGBXAGGSA-N 306.370 -0.820 30 20 DBED C#CCNC(=O)CNCC[C@@H]1CN(C(=O)[C@@H]2CCOC2)C[C@H]1C 1103965317 NMZDXMURWTWUJQ-RBSFLKMASA-N 321.421 -0.154 30 20 DBED C[C@H](CNC(=O)[C@H]1CN(C)C(=O)N1)CNc1cnc(C#N)cn1 1104177214 OZAVTMCYGHYPHC-GXSJLCMTSA-N 317.353 -0.464 30 20 DBED C[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@H]1CCNCC#N 1104367435 SZLBJBZDNNYVTH-VXGBXAGGSA-N 306.370 -0.820 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](C)N(C)C(=O)[C@H](C)NC(N)=O)n1 1104535570 WITFPVBAHIJJAU-ZJUUUORDSA-N 319.369 -0.028 30 20 DBED C[C@H](CNc1cnc(C#N)cn1)N(C)C(=O)[C@H]1CN(C)CCO1 1104537758 IJLKCMXAYONXPI-DGCLKSJQSA-N 318.381 -0.062 30 20 DBED CCCC(=O)N1CC(n2cc(CNCC(=O)NCC#N)nn2)C1 1105136737 DBPLWQZSQSFQLN-UHFFFAOYSA-N 319.369 -0.809 30 20 DBED CC(=O)N(C)CC(=O)NC[C@@H](N=c1cc[nH]c(C#N)n1)C(C)C 1105140417 ZGSUBWIHEFITTH-GFCCVEGCSA-N 318.381 -0.199 30 20 DBED C=CCNCc1cn(C2CN(C(=O)[C@@H]3C[C@@H]3C(=O)OC)C2)nn1 1105188186 RAOSLJQYJQDWJV-OLZOCXBDSA-N 319.365 -0.254 30 20 DBED CN(C)C1(C(=O)N2CC(n3cc(CNCC#N)nn3)C2)CCC1 1105259814 NEOMCJWIORLFCM-UHFFFAOYSA-N 317.397 -0.241 30 20 DBED CN(CCN(C)c1cnc(C#N)cn1)C(=O)[C@@H]1CCNC(=O)C1 1105358742 XMEHSVRVZAEVFR-LLVKDONJSA-N 316.365 -0.231 30 20 DBED CN(CCN(C)c1cncc(C#N)n1)C(=O)c1cc(=O)n(C)o1 1105381696 LNLCCJAJQIYSBV-UHFFFAOYSA-N 316.321 -0.152 30 20 DBED Cc1cc(C#N)nc(NC[C@H](O)CNC(=O)COC(C)C)n1 1105731277 ATFOZQOJSDKOOJ-GFCCVEGCSA-N 307.354 -0.029 30 20 DBED C[C@H](C(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1)n1cccn1 1105767965 VJCYSDWEXDYFRT-GHMZBOCLSA-N 315.337 -0.883 30 20 DBED Cc1nc(CC(=O)NC[C@H](O)CNc2ncccc2C#N)n[nH]1 1105826189 ABTUHSFXGUHZBK-NSHDSACASA-N 315.337 -0.489 30 20 DBED C[C@H](C(=O)NC[C@@H](O)CNc1ccc(C#N)nc1)n1cncn1 1105829496 TYDQTLVQEHAXRU-MFKMUULPSA-N 315.337 -0.305 30 20 DBED Cc1nc(NC[C@@H](O)CNC(=O)c2cnn(C)n2)ccc1C#N 1105897510 DMLSIYAHRHSLCH-LLVKDONJSA-N 315.337 -0.407 30 20 DBED COC[C@H](OC)C(=O)NC[C@@H](O)CN=c1cc(C)[nH]cc1C#N 1106088170 ZXHWNENDMPTHJX-JSGCOSHPSA-N 322.365 -0.766 30 20 DBED Cc1ncc(C(=O)NC[C@@H](O)CNc2nccnc2C#N)n1C 1106093010 SBBPJFBNGXPCJE-JTQLQIEISA-N 315.337 -0.407 30 20 DBED C[C@H](CCNc1cnc(C#N)cn1)NC(=O)[C@H]1C[C@H]1C(N)=O 1106570243 RHPTZKPARRZJST-IEBDPFPHSA-N 302.338 -0.224 30 20 DBED C=C(C)CNC[C@@H]1CN(C(=O)CS(=O)(=O)NC)C[C@H]1C 1106995858 WHTGWBMWRYSKPG-VXGBXAGGSA-N 303.428 -0.204 30 20 DBED C=CCCO[C@H](C)C(=O)NCc1cn(C2CN(CCO)C2)nn1 1107140332 AAWJANHANNTVOO-GFCCVEGCSA-N 323.397 -0.276 30 20 DBED Cn1nc(C(=O)NC/C=C\CN=c2cc[nH]cc2C#N)ccc1=O 1107187978 HKAJEVILDSOAEE-IHWYPQMZSA-N 324.344 -0.133 30 20 DBED C[C@@]1(C(=O)NC/C=C/CNc2ccc(C#N)nn2)CCNC1=O 1107508995 UKWLDUQQHNTDAI-FAAWYNLUSA-N 314.349 -0.041 30 20 DBED C=CCOCC(=O)NC[C@]1(C)CN(CC(=O)NCC)CCO1 1107812019 XNIJWQWYDGCJKQ-OAHLLOKOSA-N 313.398 -0.468 30 20 DBED C[C@]1(CNC(=O)C#CC2CC2)CN(CCOCCO)CCO1 1107933049 XJNSNXYXBGTHKS-INIZCTEOSA-N 310.394 -0.384 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)[C@@H](NC(N)=O)C(C)(C)C)C1 1108341020 PUHYOKRPBLZVHQ-MLGOLLRUSA-N 324.425 -0.090 30 20 DBED CCN1CCO[C@H](C(=O)NC[C@@]2(C)CN(CC#N)CCO2)C1 1108411115 WFRVCOSNCJCGSX-ZFWWWQNUSA-N 310.398 -0.562 30 20 DBED C[C@@H](CNc1cncc(C#N)n1)NC(=O)C[C@@H]1CCC(=O)N1 1108448228 IUYKVEFLIBJXCH-UWVGGRQHSA-N 302.338 -0.066 30 20 DBED CC#CCN1CC(N2C[C@@H](NC(=O)CC3(O)CCC3)CC2=O)C1 1108543345 WDZQJNGROAOQCK-ZDUSSCGKSA-N 319.405 -0.284 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)CO[C@H]1CCOC1 1108546785 GAJOBZXAERIMBE-QWRGUYRKSA-N 305.338 -0.508 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)CN(C)CCC)CC2=O)C1 1108587908 YARNCGAGSZNYNE-CYBMUJFWSA-N 306.410 -0.637 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)CN(C)C(C)C)CC2=O)C1 1108592094 MGTDUEOIPCUCPC-CYBMUJFWSA-N 306.410 -0.639 30 20 DBED C[C@H](CN(C)c1cncc(C#N)n1)NC(=O)c1cnn(C)n1 1109015621 PBFLSTJXGFJACJ-SECBINFHSA-N 300.326 -0.269 30 20 DBED C[C@@H](CN(C)c1ccncc1C#N)NC(=O)Cn1ncnn1 1109116741 MXHNSWYXCISDPG-JTQLQIEISA-N 300.326 -0.419 30 20 DBED CN(C)CCC(=O)NC[C@]1(O)CCN(c2ccc(C#N)nc2)C1 1111124894 YIWARKBFJVSZSS-MRXNPFEDSA-N 317.393 -0.038 30 20 DBED CNC(=O)NCC(=O)NCC1(N=c2cc[nH]cc2C#N)CCC1 1111920860 FQQPRZCCDLPJEQ-UHFFFAOYSA-N 316.365 -0.245 30 20 DBED Cc1c(C(=O)N2CCN(CC(=O)NCC#N)CC2)cnn1C 1112610351 DCPPJHWOYPJVHG-UHFFFAOYSA-N 304.354 -0.874 30 20 DBED Cc1cc(N2C[C@H](O)[C@H](CNC(=O)CC(N)=O)C2)c(C#N)cn1 1112725679 OTLZXXOFWRZARA-YPMHNXCESA-N 317.349 -0.950 30 20 DBED C#CCNC(=O)CC(=O)N1CCN(CC[C@@H]2CCOC2)CC1 1112777648 GWGGZYITVFMHCE-CQSZACIVSA-N 307.394 -0.303 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)c2cnc3n2CCC3)CC1 1112974912 SPWWASGTUBITQN-UHFFFAOYSA-N 316.365 -0.773 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)[C@@H](C)N=c1cc[nH]c(C#N)n1 1112979092 RNBKQRMMAUNKAP-MNOVXSKESA-N 314.349 -0.785 30 20 DBED C[C@@H]1CC[C@@H](CC(=O)N2CCN(CC(=O)NCC#N)CC2)O1 1113294546 BXQALVAPVFHRLN-OLZOCXBDSA-N 308.382 -0.272 30 20 DBED COCc1nocc1C(=O)N1CCN(CC(=O)NCC#N)CC1 1113528897 VLXYFSQECKOKTN-UHFFFAOYSA-N 321.337 -0.781 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1C)N(C)c1cnc(C#N)cn1 1113813740 WBPVLCQJUMUEKF-JQWIXIFHSA-N 316.365 -0.090 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)Cc3cc[nH]n3)[C@@H]2C1 1114087885 DPJXQQZFKJIPDI-VXGBXAGGSA-N 303.366 -0.699 30 20 DBED C#CCOCCC(=O)NC1[C@H]2CN(CCNC(=O)C3CC3)C[C@H]12 1114268023 DQBRBDQHFDZSEY-KBPBESRZSA-N 319.405 -0.401 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)[C@@H]3CC(=O)N(C)C3)[C@H]2C1 1114358507 XIYACLKLYXKHLO-CXTNEJHOSA-N 305.378 -0.839 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)CN(C)C(=O)C(C)C)[C@H]2C1 1114362055 YQSMPAFRTOHTIX-FOLVSLTJSA-N 321.421 -0.203 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)[C@H]3CCC(=O)N3C)[C@@H]2C1 1114725728 AJXGPAGBTBKDSY-JHJVBQTASA-N 305.378 -0.697 30 20 DBED N#CCNC(=O)CNC(=O)N1CCC[C@@H](N2CCCC2=O)C1 1117432105 RUVFXLIYUYAUEP-LLVKDONJSA-N 307.354 -0.577 30 20 DBED CNS(=O)(=O)CCC(=O)NC1CC2(CC(NCC#N)C2)C1 1121107031 LBQABEDSOUKYPH-UHFFFAOYSA-N 314.411 -0.534 30 20 DBED CCC(=O)NCC(=O)NC[C@@H](CO)Nc1nc(C)ccc1C#N 1121239404 BFUZUNNYDLGKPT-LBPRGKRZSA-N 319.365 -0.323 30 20 DBED N#Cc1c(F)cccc1N[C@H](CO)CNC(=O)[C@H]1CCC(=O)N1 1121331002 AMBKVBKJXAVVHB-TVQRCGJNSA-N 320.324 -0.135 30 20 DBED N#Cc1cncc(N[C@H](CO)CNC(=O)c2cccc(O)n2)n1 1121424867 GSNUQLDAZFUXRQ-JTQLQIEISA-N 314.305 -0.348 30 20 DBED Cc1nsc(N[C@H](CO)CNC(=O)c2ncn(C)n2)c1C#N 1121433053 SVICQNCIBYTZHV-QMMMGPOBSA-N 321.366 -0.346 30 20 DBED CCN(CC)CC(=O)NC[C@@H](CO)N=c1cc(C)[nH]cc1C#N 1121670054 QNGIEDWEVZIICO-AWEZNQCLSA-N 319.409 -0.086 30 20 DBED Cc1nc(N[C@@H](CO)CNC(=O)c2[nH]nnc2C)ccc1C#N 1122385437 MBYPSSJPKNMLDX-LLVKDONJSA-N 315.337 -0.109 30 20 DBED C[C@@H]1[C@H](Nc2ccc(C#N)nn2)CCN1C(=O)CCNC(N)=O 1123013593 YFSXGMZRNJJDSE-MWLCHTKSSA-N 317.353 -0.192 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)COCC1CC1 1124005402 QSBNQBIGXKOKGS-UHFFFAOYSA-N 310.398 -0.119 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)CCSCC 1124130618 QCOQZCINSJVHBI-UHFFFAOYSA-N 316.427 -0.153 30 20 DBED CN(C[C@@H](O)CNc1ccc(C#N)nn1)C(=O)c1cocn1 1124199846 FOUZMILQUSJDEU-JTQLQIEISA-N 302.294 -0.119 30 20 DBED CN(C[C@H](O)CNc1ccc(C#N)nc1)C(=O)CCCC(N)=O 1124394156 RZYWKTBKZYLUFU-CYBMUJFWSA-N 319.365 -0.160 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)[C@H](C)COC 1124765286 RSGRSHVCGYRJBQ-MNOVXSKESA-N 314.386 -0.625 30 20 DBED C=C[C@](C)(O)CC(=O)NCCNCC(=O)N1CCO[C@@H](C)C1 1126379033 WCCCVBLWKZCXOA-WFASDCNBSA-N 313.398 -0.733 30 20 DBED C=CCN1CCn2ncc(CNC(=O)Cn3cnnn3)c2C1 1128224264 MNFQGGIGJNSBEQ-UHFFFAOYSA-N 302.342 -0.812 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1ccnn1CC(C)C 1128459401 CMROVPRRHIKREB-ZDUSSCGKSA-N 319.409 -0.004 30 20 DBED COc1cc(C)cnc1C(=O)NCCNCC(=O)NCC#N 1129657891 OTXHMDVZHQVWMC-UHFFFAOYSA-N 305.338 -0.642 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2C[C@H]3CN(C(=O)CC)C[C@@]3(C1)O2 1131170417 ABMNIEGTFCWROG-SZOQZIPDSA-N 319.405 -0.164 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@H]1CCc2nc(C)nn2C1 1131636717 OEOKAQWDHFDJIL-LBPRGKRZSA-N 320.397 -0.843 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](C)O[C@]2(CCN(CC#C)C2)C1 1131654297 YVOCQMJSCAPYMF-PBHICJAKSA-N 317.389 -0.549 30 20 DBED C[C@H]1CC[C@@H](NC(=O)CN(C)S(C)(=O)=O)CN1CC#N 1132076911 DLGKUOMZTPRFNY-WDEREUQCSA-N 302.400 -0.630 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)C(C)(C)C(N)=O)CC[C@@H]1C 1132120133 MSQIRIUAFKREBI-RYUDHWBXSA-N 324.425 -0.231 30 20 DBED C[C@@H]1CCN(C(=O)CN2C(=O)CN(C)C2=O)C[C@H]1CNCC#N 1133306894 RMCCWHZLZRYDJM-VXGBXAGGSA-N 321.381 -0.522 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)c1c[nH]c(=O)cn1 1135320029 IDUWQHOUBGXZAP-GHMZBOCLSA-N 319.365 -0.994 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1cnn2cc[nH]c12 1149043173 XGWOPZKPILRKKK-JTQLQIEISA-N 302.338 -0.880 30 20 DBED N#CCN1CCCO[C@@H](CNC(=O)Cn2cc(C3CC3)nn2)C1 1149842175 QLRPUJBDLJDMSJ-ZDUSSCGKSA-N 318.381 -0.114 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)c1cnccn1 1151620536 KCBUAXUVCLUIKS-GFCCVEGCSA-N 303.366 -0.334 30 20 DBED N#Cc1ccc(CNCCNC(=O)C[C@@H]2CC(=O)NC2=O)s1 1153882413 DXZQYYXJNHCLDA-SECBINFHSA-N 320.374 -0.122 30 20 DBED C=CCNC(=O)NC(=O)CNCCCNC(=O)C[C@@H](C)OC 1155551237 UMZKBPRXNYPTTL-LLVKDONJSA-N 314.386 -0.481 30 20 DBED C#CCNC(=O)CN1CC=C(CCNC(=O)CCN(C)C)CC1 1161089053 HHYIIUHXZJTPJM-UHFFFAOYSA-N 320.437 -0.174 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1nnn(CC)c1CC 1166526436 YZMGEFACVXGPFI-UHFFFAOYSA-N 320.397 -0.681 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)c2ncccn2)C1=O 1168949684 LFIAXWBXAZEWAA-GFCCVEGCSA-N 303.366 -0.027 30 20 DBED C#CCNC(=O)CNCCCNC(=O)CCCn1cccn1 1176396837 NHXAEOJSQXQSFP-UHFFFAOYSA-N 305.382 -0.491 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)CNC(=O)C1CCC1 1176916809 UBFKMJZCRSIFFN-GFCCVEGCSA-N 324.425 -0.311 30 20 DBED C=CCO[C@H](C)C(=O)NCCCNCCOCCNC(C)=O 1177273230 KRJXJACDMXNBMC-CYBMUJFWSA-N 315.414 -0.174 30 20 DBED COCC#CCN[C@H]1CCN(C(=O)CCn2ccnn2)[C@H]1C 1178551731 NTMOOBQLWMMWGA-KBPBESRZSA-N 305.382 -0.103 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)c2cc[n+]([O-])cc2)C1 1180781098 XJHVGUGAILJVRW-CYBMUJFWSA-N 304.350 -0.574 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)[C@]23CCC[C@H]2OCC3)C1 1184181813 QDMUJPPGPPDTFY-CPUCHLNUSA-N 319.405 -0.115 30 20 DBED C[C@H]1CN(C(=O)CS(=O)(=O)N(C)C)CC[C@H]1CNCC#N 1185603559 FEQQRBUFMWCQHD-RYUDHWBXSA-N 316.427 -0.524 30 20 DBED Cn1cc(C(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)c(Cl)n1 1187018816 YLZZPSPHGMBVHB-SECBINFHSA-N 324.772 -0.483 30 20 DBED CCNC(=O)NC(=O)CN(C)[C@@H]1CCN(C(=O)[C@@H](C)C#N)C1 1189389140 HNPYRFPHKKJNPM-WDEREUQCSA-N 309.370 -0.476 30 20 DBED N#CCN1C[C@@H]2CCN(C(=O)CCC(=O)N3CCOCC3)[C@@H]2C1 1190072669 VDQIRJQTQZSYJU-UONOGXRCSA-N 320.393 -0.318 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)[C@@H](C)NC(=O)CC)C1 1190307624 KVHDRPYDMJFSMF-OLZOCXBDSA-N 324.425 -0.264 30 20 DBED COc1nccc(CN2C[C@@H](O)[C@H](NC(=O)[C@@H](C)C#N)C2)n1 1191855194 YLRSEPWVEDXGEY-MVWJERBFSA-N 305.338 -0.694 30 20 DBED C#CCCCC(=O)N[C@@H]1CN([C@@H]2CCN(CC)C2=O)C[C@H]1O 1192510815 SSVNUBUYYLVYGM-MGPQQGTHSA-N 307.394 -0.428 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@H]1CCN(C(=O)c2cnn(C)n2)C1 1192844951 DAXDANKKXZBARW-NEPJUHHUSA-N 318.381 -0.901 30 20 DBED C=CCC(CC=C)C(=O)N[C@@H]1CN(Cc2nnn(C)n2)C[C@H]1O 1193231565 IQRJJSOSNVQXQL-CHWSQXEVSA-N 320.397 -0.360 30 20 DBED C=CCC(CC=C)C(=O)N[C@@H]1CN(C[C@H](O)COC)C[C@H]1O 1193232370 XXZHIJSRJFIJFD-RRFJBIMHSA-N 312.410 -0.077 30 20 DBED CCc1nc(C(=O)N[C@@H]2CN(CC#CCOC)C[C@H]2O)c(C)o1 1196819994 UDSXVRJLHSMVMA-CHWSQXEVSA-N 321.377 -0.030 30 20 DBED C=CCOCCN1CCCN(C(=O)C2CC(=O)NC(=O)C2)CC1 1197436005 SMXBILXEPFECOW-UHFFFAOYSA-N 323.393 -0.224 30 20 DBED C#CCCNC[C@H]1CN(C(=O)c2cnn(C)c2N)CCCO1 1200329884 PFGQOUPXRCNOOW-LBPRGKRZSA-N 305.382 -0.154 30 20 DBED C#CCCN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)CN1CCNC(=O)C1)C2 1204618492 DWGNWIHFCLLKSG-RBSFLKMASA-N 318.421 -0.589 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)c2c[nH]nc2C)[C@H](C)C1 1208257817 NLHXFDPPIXEHRG-SCDSUCTJSA-N 317.393 -0.094 30 20 DBED CN(C)[C@@H](C(=O)N1CCC[C@H](NCC(=O)NCC#N)C1)C1CC1 1208335610 WQJVLTJIURHPAO-DZGCQCFKSA-N 321.425 -0.453 30 20 DBED COCC#CCN1C[C@@H](NC(=O)[C@]2(C)CCNC2=O)[C@H](C)C1 1208575958 YRTWTOOUMJNNIW-XJKCOSOUSA-N 307.394 -0.401 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)[C@H](C)C1 1208747703 SSXKZEHVONOSQD-RYPNDVFKSA-N 319.405 -0.260 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)C#CC(C)C)[C@H](OC)C1 1212233994 KYSMZZWNVKRQCB-ZIAGYGMSSA-N 305.378 -0.789 30 20 DBED CCCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)C#CC(C)C)C1 1219588785 KQUNLLSKZVVAHI-MJBXVCDLSA-N 309.410 -0.278 30 20 DBED COCCOc1cc(C(=O)N[C@@H]2CN(CC#N)C[C@@H]2O)ccn1 1219613281 DANKXGIHTOONDD-OLZOCXBDSA-N 320.349 -0.595 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)CCCCc2cnn[nH]2)C1 1220063153 NSUOXANSDSGCBV-KGLIPLIRSA-N 305.382 -0.298 30 20 DBED N#CCNC(=O)CN1CCC(CNC(=O)Cn2ccnc2)CC1 1225659012 VMGXWSBVYMBZEU-UHFFFAOYSA-N 318.381 -0.649 30 20 DBED C[C@@H](C#N)C(=O)NC1CCN(CC(=O)NC[C@H]2CCOC2)CC1 1226640518 ODUYIXIFYFCQGF-QWHCGFSZSA-N 322.409 -0.121 30 20 DBED C#CCNC(=O)CC(=O)NC1CCN(Cc2cnsn2)CC1 1226961532 GXUJREKTMXADLL-UHFFFAOYSA-N 321.406 -0.242 30 20 DBED C#CCCN[C@@H]1CCCC[C@H]1NC(=O)CNC(=O)CNC(C)=O 1227134892 CLCPIZSSFFLCEO-ZIAGYGMSSA-N 322.409 -0.721 30 20 DBED CCN1CCOC[C@@H]1C(=O)NC1CCN(CC#CCOC)CC1 1228096588 PSUVJUBJHDYHAG-MRXNPFEDSA-N 323.437 -0.063 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)[C@@H]2CCO[C@@H]2C)CC1 1229723382 OTZGPVWLQMZTHB-TZMCWYRMSA-N 307.394 -0.259 30 20 DBED CC(C)(F)C(=O)NCC[C@@H]1CN(CC#N)CCS1(=O)=O 1230406469 NMXBJIMQRXGECF-SNVBAGLBSA-N 305.375 -0.137 30 20 DBED C[C@@H](O)[C@H]1CCCN1C(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1261861929 KEWRVMAZCWVUQM-KWCYVHTRSA-N 320.393 -0.443 30 20 DBED COC/C(C)=C\C(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1 1263295487 BGFKRTPGAPFJPA-BRNRAETOSA-N 314.363 -0.455 30 20 DBED C#C[C@@H](NC(=O)C(=O)NCc1nnc2n1CCC2)[C@@H]1CCCO1 1322971271 PZOZVFGETBHPIH-MNOVXSKESA-N 317.349 -0.863 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N[C@@H]1CCN(C(=O)OCC)C1 1323529440 ZKLXOHORZXBHOF-GHMZBOCLSA-N 313.354 -0.349 30 20 DBED C#CCOCCNC(=O)C(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1 1323698547 KMPZKOXGZVMAQN-NSHDSACASA-N 309.366 -0.732 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)NCC(C)(C)N1CCOCC1 1325428112 ZLJFNJAGQVYSBB-LBPRGKRZSA-N 313.398 -0.469 30 20 DBED C#C[C@H](NC(=O)Cn1ncn2nccc2c1=O)[C@@H]1CCCO1 1325774664 UZZNJOMPDCFBCD-JQWIXIFHSA-N 301.306 -0.812 30 20 DBED C=CCN1CCC(NC(=O)C(=O)N[C@H](C)c2ncnn2C)CC1 1325780716 GJWZYLVMHGQXRK-LLVKDONJSA-N 320.397 -0.241 30 20 DBED CCOC(=O)N1CC[C@@H](NC(=O)C(=O)N2CCO[C@@H](C#N)C2)C1 1329849817 PQAWUXPCUKVTAK-MNOVXSKESA-N 324.337 -0.916 30 20 DBED COC1(CNC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CCC1 1330415943 BJFQZFCGWASPQC-ZDUSSCGKSA-N 320.393 -0.130 30 20 DBED C=CCS(=O)(=O)CCn1nnnc1N1CC[C@H](COC)C1 1334300667 VAEFVVYUALHMCN-NSHDSACASA-N 315.399 -0.253 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N1CCO[C@@H](C(F)F)C1 1335857128 CKUFRPDMPWHHRU-LLVKDONJSA-N 318.320 -0.023 30 20 DBED C#C[C@H](C)N(C)c1nnc(-c2cn(C)c(=O)n(C)c2=O)n1C 1338610342 OPTIHAQPZCGSSF-VIFPVBQESA-N 302.338 -0.663 30 20 DBED CC1(C)CN(C(=O)C(=O)N2CCC[C@H](C#N)C2)CCN1CCO 1345815117 DHHJBJMPWKKLFT-CYBMUJFWSA-N 322.409 -0.336 30 20 DBED C#CCSCCNC(=O)C(=O)N(C)[C@@H](CO)COC(C)C 1346609423 CJLNXTFJSYMMSC-LBPRGKRZSA-N 316.423 -0.287 30 20 DBED O=C1C=CC=N/C1=C(\O)NCCNC[C@H](O)CN1CCCC1 1348446940 MGGYFXXYHDGDAQ-VCHHOEMESA-N 308.382 -0.441 30 20 DBED C=C(Cl)CNC(=O)[C@@H]1[C@@H](c2cnn(C)c2)N(C)C(=O)[C@@H]1O 1362178497 JKVRCSYTAMJTEX-GMTAPVOTSA-N 312.757 -0.221 30 20 DBED COC(=O)C1(C#N)CCN(C(=O)[C@@H](C)CS(C)(=O)=O)CC1 1362540172 ZTXUAHAYMYPJHE-JTQLQIEISA-N 316.379 -0.028 30 20 DBED Cn1c(=O)[nH]c(N2CC[C@H]3NC(=O)CC[C@@H]3C2)c(C#N)c1=O 1364208535 HXHYFPHMKABWGB-PSASIEDQSA-N 303.322 -0.950 30 20 DBED CC(C)[C@H](C#N)N1CCN(c2[nH]c(=O)n(C)c(=O)c2C#N)CC1 1364535633 SOWPDGPGQGUTRB-LBPRGKRZSA-N 316.365 -0.385 30 20 DBED CC(=O)NCC(=O)N1CCCN(C(=O)NCC2(C#N)CC2)CC1 1369633986 YPDGZJAWGURYSP-UHFFFAOYSA-N 321.381 -0.330 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](C)CN(C)C(=O)c1c[nH]c(C(N)=O)c1 1370522697 ZTORKTKXBYDCIF-DTWKUNHWSA-N 305.338 -0.150 30 20 DBED C[C@H](C#N)C(=O)NCC1CN(C(=O)[C@H]2CCCCN2C(N)=O)C1 1374898647 KITRTEVOYZQOEB-ZYHUDNBSSA-N 321.381 -0.346 30 20 DBED C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)N(C)C(=O)c1cnn(C)n1 1382944692 DYZHHSXNKRMREY-VIFPVBQESA-N 315.337 -0.095 30 20 DBED CCS(=O)(=O)CC(=O)NC1CN(C(=O)c2c[nH]c(C#N)c2)C1 1387749016 UPZOAYNGFCCUDJ-UHFFFAOYSA-N 324.362 -0.738 30 20 DBED N#Cc1ccc(C(=O)NC2(CNC(=O)[C@@H]3COC(=O)N3)CC2)[nH]1 1393625076 DRBDEGDYDSXNIU-JTQLQIEISA-N 317.305 -0.627 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(N(CCO)Cc2cnn(C)n2)CC1 1397281477 FRDNGVNJMINUNP-LBPRGKRZSA-N 320.397 -0.240 30 20 DBED CC(=O)N(C)CC(=O)NC[C@H](O)CNCc1cccc(C#N)c1 1401487307 JDABJJKWHVQYAU-OAHLLOKOSA-N 318.377 -0.397 30 20 DBED C=C(Cl)CNC[C@H]1CCCN1C(=O)CS(=O)(=O)NC 1407105172 CXLQJBXEIZKCHU-SNVBAGLBSA-N 309.819 -0.131 30 20 DBED C[C@H](C#N)C(=O)N1CC([C@@H](C)NC(=O)CCn2ccnn2)C1 1411941396 GZYZUMUWXJAPSZ-GHMZBOCLSA-N 304.354 -0.209 30 20 DBED COC(=O)NCC(=O)NC[C@H](C)NC(=O)c1cc(C#N)c[nH]1 1416883644 XZPJRIPERLFFQL-QMMMGPOBSA-N 307.310 -0.523 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1cc(N(C)C)ccn1 1433326421 ZXPJZJDNLZVSAQ-JQWIXIFHSA-N 319.365 -0.486 30 20 DBED Cc1nccn1CC(=O)NCCn1cc(C#N)c(O)nc1=O 1434206422 GCGQCBXRXJGYQM-UHFFFAOYSA-N 302.294 -0.858 30 20 DBED C[C@H](CNC(=O)[C@@H]1CCC(=O)N1)N(C)C(=O)c1cc(C#N)c[nH]1 1442873987 IXVTVNZNMLMSHY-KOLCDFICSA-N 317.349 -0.258 30 20 DBED C=CCOCc1nnc(N2CCNC(=O)C2)n1C[C@H]1CCOC1 1515986253 RDNQRELGZNPPTI-GFCCVEGCSA-N 321.381 -0.047 30 20 DBED C[C@H](C#N)C(=O)NCCN(C(=O)[C@H]1CCC(=O)N1C)C1CC1 1529854687 WOIJXXNKANOBBC-ZYHUDNBSSA-N 306.366 -0.126 30 20 DBED COC1(CO)CCN(c2cnc(-c3nn[nH]n3)c(C#N)n2)CC1 1570917883 HLZONIMJYJRTQI-UHFFFAOYSA-N 316.325 -0.494 30 20 DBED Cc1cccc(C#N)c1S(=O)(=O)NCC(=O)N1CCNCC1 1579747104 HRQSLLYDQYPJQB-UHFFFAOYSA-N 322.390 -0.423 30 20 DBED N#C[C@H]1CNCC12CC(C(=O)N1CCN3C[C@H](O)C[C@H]3C1)C2 1580042661 YFCGROLUXJYGAX-GARWAMKOSA-N 304.394 -0.597 30 20 DBED O=C1C=CC=N/C1=C(\O)NCCNC(=O)C12CCC(CC1)N2 1580839572 UBIFFZRUDXOHPS-SEYXRHQNSA-N 304.350 -0.086 30 20 DBED C#CCN1C[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@H](OC)C1 1588353475 USKJSQICQJVYKC-VXGBXAGGSA-N 315.337 -0.743 30 20 DBED C#CCCCS(=O)(=O)N1CC[C@@H](n2cc(C(=O)O)nn2)C1 1588446936 OMTUNQDMQYRQOS-SNVBAGLBSA-N 312.351 -0.034 30 20 DBED C=C(C)C[C@@H](NS(=O)(=O)C[C@@H]1CN(C)CCO1)C(=O)O 1588553991 WYQCBPCWOQFGSW-WDEREUQCSA-N 306.384 -0.344 30 20 DBED C=CCNC(=O)CNC(=O)Nc1cccc(-c2nn[nH]n2)n1 1588658661 DSTMSNQWNSQPTF-UHFFFAOYSA-N 302.298 -0.315 30 20 DBED C=CCNC(=O)CNCC1CCN(C(=O)[C@@H]2C[C@H]2C(=O)O)CC1 1588844846 XBFLHSOXOGUGGH-CHWSQXEVSA-N 323.393 -0.163 30 20 DBED C[C@@H](O)CN(C(=O)C(=O)N1CCC(C#N)(C(=O)O)CC1)C1CC1 1593446621 KRHYINMGBMWPCN-SNVBAGLBSA-N 323.349 -0.425 30 20 DBED N#C[C@@H](C(=O)CCCC(=O)O)C(=O)N1CCS(=O)(=O)CC1 1605575879 FHDDKKBIMXBTFB-VIFPVBQESA-N 316.335 -0.793 30 20 DBED CN(C(=O)[C@@H]1C[C@@H]1C(=O)O)C1CN(C(=O)c2ccc(C#N)[nH]2)C1 1605955954 CSTBQSYEEAFISR-MNOVXSKESA-N 316.317 -0.110 30 20 DBED Cn1ncc2c(O)nc(Cn3cnc(C#N)c3-c3nn[nH]n3)nc21 1606277134 NESFMRUQGACYMO-UHFFFAOYSA-N 323.280 -0.635 30 20 DBED COCCN1CCC(NC(=O)NCCn2cnc(C#N)n2)CC1 1647195436 XTCOKFAMORLGHN-UHFFFAOYSA-N 321.385 -0.440 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCC[C@@H]1CNCCS(C)(=O)=O 1733339396 ABCABUZGFJTMOZ-OCCSQVGLSA-N 318.439 -0.061 30 20 DBED C=CCNC(=O)[C@H](C)N(C)CCCNC(=O)C1CN(C(C)=O)C1 1751988291 OFWVYPLGLPMODT-LBPRGKRZSA-N 324.425 -0.407 30 20 DBED C=CCn1cc(C(=O)N[C@H]2C[C@@H](N[C@H](C)C(=O)NC)C2)nn1 1752766914 OYUGLCYIILPLKL-MXWKQRLJSA-N 306.370 -0.551 30 20 DBED COCC#CCNC[C@@H]1CCCN(C(=O)C[C@H]2CCNC2=O)C1 1752799821 NAWKTIXIAPORLR-LSDHHAIUSA-N 321.421 -0.009 30 20 DBED COc1ccc(CC(=O)NC[C@@H](C)NCC(=O)NCC#N)cc1 1752913856 MATNBUHQJJSGMD-GFCCVEGCSA-N 318.377 -0.028 30 20 DBED C#CCNCCNC(=O)[C@H]1CCCN(C(=O)[C@H](O)C(C)C)C1 1752926154 KQVZUYDQHHCHTD-UONOGXRCSA-N 309.410 -0.419 30 20 DBED C#CCO[C@H](C)C(=O)NCCN(CCC)[C@H]1CCC(=O)NC1=O 1753143325 PACPHLQRFOPGRC-OLZOCXBDSA-N 323.393 -0.342 30 20 DBED C=CCN(C)CC1CCN(C(=O)Cn2ncn(C)c2=O)CC1 1753365973 UCTILIMBHKEAGN-UHFFFAOYSA-N 307.398 -0.062 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1CN(CC(=O)N2CCCC2)C1 1753403252 RHCSXNANTJSLIV-ZDUSSCGKSA-N 307.394 -0.305 30 20 DBED COCC#CCN1CCO[C@@H](CNC(=O)c2c(C)ncn2C)C1 1753656088 MXOYEXNEXCGZIV-AWEZNQCLSA-N 320.393 -0.191 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)CCN(C)[C@@H]1CCC(=O)NC1=O 1753852955 GEWOZBZCTNZIOT-NWDGAFQWSA-N 309.366 -0.780 30 20 DBED CC(C)C#CC(=O)NC/C=C\CNCCN(C)S(C)(=O)=O 1754133573 YSWMKIPQENIZQY-WAYWQWQTSA-N 315.439 -0.201 30 20 DBED C=CCOCCN1CC[C@](O)(CNC(=O)c2ncn(C)n2)C1 1754748421 IMJFSEJSUZLBKG-AWEZNQCLSA-N 309.370 -0.816 30 20 DBED CCCOCC(=O)N1C[C@H](CNCC(=O)NCC#N)[C@@H](C)C1 1754811543 IBFAKPIJABDNSM-STQMWFEESA-N 310.398 -0.263 30 20 DBED C=CCCN1CCC[C@@](CO)(NC(=O)C[C@H](C)NC(N)=O)C1 1754856372 KALQQGOPIQNHBC-SWLSCSKDSA-N 312.414 -0.048 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)NC[C@H]1CN(C(C)=O)CCO1 1754997125 WZGJUOCGYDIUGU-PWSUYJOCSA-N 312.370 -0.776 30 20 DBED N#CCNC[C@@H]1CN(C(=O)[C@H]2CCc3ncncc3C2)CCO1 1754999739 DJJBSHDZJNRURH-GXTWGEPZSA-N 315.377 -0.078 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)c2nnn(C(C)(C)C)n2)CCO1 1755000692 OSXMLTSKDVXRRD-GFCCVEGCSA-N 320.397 -0.118 30 20 DBED CCC(=O)N[C@@H](C)C(=O)NC[C@H]1CCC2(CN(CC#N)C2)O1 1755054300 MBRWAPTXEQCXID-NWDGAFQWSA-N 308.382 -0.226 30 20 DBED C=CCNC(=O)CN[C@@]1(CO)CCCN(C(=O)C(F)F)C1 1755081668 VGTNSKFGYCQSEI-ZDUSSCGKSA-N 305.325 -0.503 30 20 DBED C#CCN[C@@]1(CO)CCCN(C(=O)c2cnn3cccnc23)C1 1755087301 SXVVCKMBMADFAF-INIZCTEOSA-N 313.361 -0.081 30 20 DBED C#CCNC(=O)CN[C@H]1CN(C(=O)c2c[nH]nc2C)C[C@@H]1C 1755114157 LWEJGEIMCCWIRR-GWCFXTLKSA-N 303.366 -0.482 30 20 DBED CC(C)C#CC(=O)NC[C@H](CO)NCCNC(=O)NC(C)C 1755627863 LTRQALFBVSBOQV-CYBMUJFWSA-N 312.414 -0.580 30 20 DBED CC#CCN[C@@H](CO)CNC(=O)[C@@H](OCC)C1CCOCC1 1755634985 KELHYDQWAVOWPI-CABCVRRESA-N 312.410 -0.092 30 20 DBED N#CCNC(=O)CN[C@H](CO)CNC(=O)Cc1cccc(F)c1 1755647062 WWVWDIPZTVOVIW-ZDUSSCGKSA-N 322.340 -0.925 30 20 DBED COCC#CCNC[C@H](O)CN(C)C(=O)Cc1cscn1 1755788858 AQQFAUCTUAHBDH-ZDUSSCGKSA-N 311.407 -0.256 30 20 DBED O=C(C#CC1CC1)NCC1=CCN([C@H]2CCC(=O)NC2=O)CC1 1755886447 IGRQKUGXZKQLEW-AWEZNQCLSA-N 315.373 -0.047 30 20 DBED O=C(NC1(CCO)CN(C(=O)C#CC2CC2)C1)C1CCOCC1 1756075686 PRZYRKSAHFGXFV-UHFFFAOYSA-N 320.389 -0.094 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(CCO)(NC(=O)[C@@H]2CC23CC3)C1 1756089153 YDPIOZIBWUSLGP-OLZOCXBDSA-N 320.389 -0.096 30 20 DBED C#CCNC(=O)CC(=O)NCCC[C@@H](C)NC(=O)C#CC1CC1 1756303288 MQFJVPLBOIXLEJ-CYBMUJFWSA-N 317.389 -0.060 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)NC(=O)C=C)CCO2 1783051804 PLWVXDAPCIKNCO-MLGOLLRUSA-N 319.361 -0.860 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)n1ccnn1)CCO2 1783054606 IMGDONOMPDHHRQ-WFASDCNBSA-N 317.349 -0.698 30 20 DBED C[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CC#N)n1cnnn1 1795467018 MIXIXJRVGSMANP-WISYIIOYSA-N 317.353 -0.214 30 20 DBED C#CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CNC(=N)N)CC1 1831321351 LJLOKLAHNMPYSH-CYBMUJFWSA-N 319.409 -0.278 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(C)=O)CCO2)C1 1835195908 HYTOKGPPTDUHFF-BBRMVZONSA-N 324.377 -0.499 30 20 DBED CCNC(=O)NC(=O)CN1CCN(c2ccc(C#N)cn2)CC1 60481709 XPVIPHHGWOZYGR-UHFFFAOYSA-N 316.365 -0.079 30 20 DBED C#CCN1CCN(C(=O)C2CCN(S(C)(=O)=O)CC2)CC1 128434496 XNZQFWMZZUCCPZ-UHFFFAOYSA-N 313.423 -0.565 30 20 DBED N#Cc1ccc2c(c1)N(C(=O)C(=O)N1C[C@H](O)[C@@H](O)C1)CC2 277549172 OCMIFJOIRPUCDG-STQMWFEESA-N 301.302 -0.989 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)C2CCC2)c1=O 278121227 LUFWDYDBFWPHCQ-UHFFFAOYSA-N 305.334 -0.087 30 20 DBED CN1C[C@H](/N=C(/O)N2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)CC1=O 328977953 DLPWFSWQIKUWMU-XQHKEYJVSA-N 311.382 -0.007 30 20 DBED C[C@@H](CN1CCOCC1)NS(=O)(=O)N(C)C[C@@H](C)C#N 330384596 ZQNUOKCTMBGZLO-RYUDHWBXSA-N 304.416 -0.367 30 20 DBED N#Cc1ccc(N2CCN(C(=O)Cn3cccnc3=O)CC2)nc1 332520278 BZNRXUVTAMBGGQ-UHFFFAOYSA-N 324.344 -0.141 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N1CCc2nnc(O)cc2C1 332722570 SCJVLJWWYOMTKI-SECBINFHSA-N 305.338 -0.059 30 20 DBED C=CCN(C(=O)[C@H]1CCCC(=O)N1)[C@H]1CCS(=O)(=O)C1 333591569 XCPJEAVDSPDIOM-WDEREUQCSA-N 300.380 -0.143 30 20 DBED CC1(C)[C@H]2OCC[C@@H]2[C@H]1NS(=O)(=O)N1CCO[C@H](C#N)C1 337071237 OTMBVZXRRVRGSY-KKOKHZNYSA-N 315.395 -0.141 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)NCC1(C(N)=O)CCCC1 337103794 YDVXTTUYLAHMPP-JTQLQIEISA-N 302.400 -0.042 30 20 DBED CCOC1CC(O)(CNS(=O)(=O)N(C)[C@@H](C)CC#N)C1 337761524 KLXCCTQHYFKMQK-UNXYVOJBSA-N 305.400 -0.015 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1COCCO1 342663767 KAWNLRDSELMGSQ-UPJWGTAASA-N 312.366 -0.385 30 20 DBED COC(=O)CN(CC#N)CC(=O)N1CC(=O)Nc2ccccc21 348484715 MPVJBESCXBDMHA-UHFFFAOYSA-N 316.317 -0.030 30 20 DBED C[C@@H](O)CN1CCN(S(=O)(=O)c2cncc(C#N)c2)CC1 352174536 BCXDGMVYFWHEFC-LLVKDONJSA-N 310.379 -0.360 30 20 DBED Cn1c(N2CC[C@@H]([C@@H]3CCOC3)C2)c(C#N)c(=O)n(C)c1=O 371002722 CICITZJCVOAJHA-GHMZBOCLSA-N 304.350 -0.182 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N1C[C@H](C)O[C@H](CO)C1 410908659 IVWNVZBHXCWSFQ-RYUDHWBXSA-N 300.355 -0.744 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N1CCN(C(C)C)C(=O)C1 410911377 QLPMSXKSQXIBCA-UHFFFAOYSA-N 311.382 -0.273 30 20 DBED CCOC(=O)CN(CC(N)=O)C(=O)c1ccc(C#N)c(O)c1 442652575 NYFUYWQANJAVOQ-UHFFFAOYSA-N 305.290 -0.246 30 20 DBED C#CCNC(=O)[C@@H](C)Nc1ccn(CC(=O)N2CCOCC2)n1 490761928 CNXMGTQKAMFENM-GFCCVEGCSA-N 319.365 -0.708 30 20 DBED C#CCN1CCN(C(=O)CN2CCCC[C@H]2C(=O)NC)CC1 490851677 HRHREAPMOCOYCE-AWEZNQCLSA-N 306.410 -0.636 30 20 DBED C#C[C@@H](NS(=O)(=O)CCCS(=O)(=O)N(C)C)C(C)C 490983553 AMHOLRMLHVKSDI-LLVKDONJSA-N 310.441 -0.155 30 20 DBED C#CCNC(=O)CN1CCN([C@@H](C)C(=O)NCCC(C)C)CC1 491473281 CBHQXCGJNJPBCX-HNNXBMFYSA-N 322.453 -0.096 30 20 DBED N#Cc1ccncc1N1CCN(C(=O)C2(NC(N)=O)CC2)CC1 561429801 WOKNXMFRNXGYRY-UHFFFAOYSA-N 314.349 -0.197 30 20 DBED C[C@H]1CN(C(=O)NCC(=O)NCC#N)C[C@@]2(CCCOC2)O1 561577479 UKZLVVBTTOOHHL-SMDDNHRTSA-N 310.354 -0.394 30 20 DBED N#Cc1cc(=O)n(CC(=O)NC(=O)NCC(F)(F)F)cn1 575045174 TYBSTEHWWVASLF-UHFFFAOYSA-N 303.200 -0.497 30 20 DBED C=CCOC[C@H](NS(=O)(=O)N1CCOC(C)(C)C1)C(=O)O 578320474 VZHSVZIHRXAMTH-JTQLQIEISA-N 322.383 -0.413 30 20 DBED N#Cc1ccc(NCC(=O)NCC2(N3CCOCC3)CC2)nc1 584328998 LOSUQDVBWJTIIP-UHFFFAOYSA-N 315.377 0.346 30 20 DBED CC[C@H](C#N)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 593473170 PAWNNPFPVLDZDQ-LLVKDONJSA-N 305.338 0.230 30 20 DBED Cn1c(NCC(C)(C)n2cccn2)c(C#N)c(=O)n(C)c1=O 601197748 DQBGDXSXYBELFM-UHFFFAOYSA-N 302.338 -0.001 30 20 DBED C[C@H](C#N)N(C)C(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 602424485 QVSKZSOAZCMAGX-NPNZPCOPSA-N 305.334 -0.091 30 20 DBED CC(C)N1C[C@H](NC(=O)C(=O)Nc2cnn(CC#N)c2)CC1=O 746431586 FTWXVAMJIIZORY-SNVBAGLBSA-N 318.337 -0.529 30 20 DBED C[C@@H](NS(C)(=O)=O)C(=O)O[C@H](C)C(=O)N(C)CCC#N 758489932 VCOITCFKTKDUBH-RKDXNWHRSA-N 305.356 -0.772 30 20 DBED C#CCNS(=O)(=O)N1CCN(Cc2ncc(CC)o2)CC1 761033523 YESMRHRHOQECFW-UHFFFAOYSA-N 312.395 -0.178 30 20 DBED N#Cc1c(F)cccc1C(=O)OCC(=O)N1CCNC(=O)C1 778376321 ZAKUNMSDMVLDFG-UHFFFAOYSA-N 305.265 -0.187 30 20 DBED N#Cc1cccnc1NCCNC(=O)CN1CCOCC1=O 790580403 PESCOZZNKYVMTE-UHFFFAOYSA-N 303.322 -0.660 30 20 DBED C#CCn1cc(CNC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)cn1 791264359 JVXXDBCSRCQKBC-AWEZNQCLSA-N 317.393 -0.457 30 20 DBED Cn1cnn(CN2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1=O 793591787 QASWQTBHGXCZLS-GFCCVEGCSA-N 300.322 -0.041 30 20 DBED C#CCOCCNC[C@H](O)CN1C(=O)c2ccccc2C1=O 819231536 XZWGMGLCLHAMPN-LBPRGKRZSA-N 302.330 -0.117 30 20 DBED C#CC[C@H](CO)NC(=O)c1ccc(F)c(S(=O)(=O)NC)c1 820059343 BJDKDUNBSPZMGV-SNVBAGLBSA-N 314.338 -0.152 30 20 DBED Cc1cc(-c2nn[nH]n2)ccc1C(=O)OCC(=O)NCC#N 826251952 IHFQFKZOLFJIIC-UHFFFAOYSA-N 300.278 -0.028 30 20 DBED Cc1cccc(=O)n1C[C@@](C)(O)C(=O)N[C@@H]1CCCN(O)C1=O 848133590 BULQWRJFKBXEGX-IAQYHMDHSA-N 323.349 -0.596 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N[C@@H]1CCN(C(C)C)C1=O 875217708 MUKIYFSJRCJGLL-CHWSQXEVSA-N 323.393 -0.344 30 20 DBED CCOCCS(=O)(=O)NCC(=O)N1CCC[C@H](C#N)C1 928220197 FQWRKCJEFLEOMC-LLVKDONJSA-N 303.384 -0.296 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCCN(C(=O)CC(N)=O)CC1 940555231 LGIQTRXMCICAAR-NEPJUHHUSA-N 309.366 -0.486 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](NC(=O)c2ccn3nnnc3c2)C1 941986136 HJWMKMKLHRRXGT-MWLCHTKSSA-N 313.321 -0.385 30 20 DBED C#CCCN1CC[C@H](NC(=O)Cn2nc(C)n(C)c2=O)[C@@H](C)C1 944531894 KKTWMAXTALYVGI-JSGCOSHPSA-N 319.409 -0.260 30 20 DBED CN1CC[C@@H](C(=O)N2CCOC3(CCN(CC#N)CC3)C2)C1=O 949161934 IESNGOJANJGDQS-CYBMUJFWSA-N 320.393 -0.318 30 20 DBED Cn1ncc(C(=O)N2CC[C@@H]2CNC(=O)c2ccc(C#N)[nH]2)n1 949451764 ABOLQTFIGJDXAD-SNVBAGLBSA-N 313.321 -0.341 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@H]2CNC(=O)[C@@H]2CCNC2=O)c1 951460579 ZELWWQUEKSJDQI-WDEREUQCSA-N 315.333 -0.647 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)[C@@H]1CCOC1 951949942 PTWSKPLSUNIJMI-KFWWJZLASA-N 319.405 -0.162 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](NC(=O)Cn2ncnn2)[C@H](C)C1 957622338 HHCJKCYMPQDJIH-GHMZBOCLSA-N 306.370 -0.152 30 20 DBED CC#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cccn3nnnc23)C1 958092358 QNCWREXAHYDYHV-WCQYABFASA-N 314.349 -0.830 30 20 DBED C=CCN1CCN(S(=O)(=O)C2CN(C(=O)CC)C2)CC1 961078264 ZTFJPJCXOSMKLS-UHFFFAOYSA-N 301.412 -0.259 30 20 DBED CC#CCN1C[C@H]2C(NC(=O)[C@H]3CN(C(C)=O)CCO3)[C@@H]2C1 962440183 ZJJKVNADHYMHBU-MGPQQGTHSA-N 305.378 -0.697 30 20 DBED Cc1ncn(C)c1C(=O)N[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1O 966585870 UJJHOMNDXUXBFO-IEBDPFPHSA-N 305.338 -0.810 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCCNC1=O 969214080 GEICPOYUVQBNCE-WUHRBBMRSA-N 318.377 -0.126 30 20 DBED Cc1nc(O)nc(O)c1CCC(=O)N1CC[C@@H](NCC#N)C1 969503282 WKHYFPKNQBKWFB-SNVBAGLBSA-N 305.338 -0.157 30 20 DBED COCCN1C[C@@H](C(=O)N[C@H](C)C2CN(CC#N)C2)CC1=O 969787589 DYWQUTRUYHIYQI-NEPJUHHUSA-N 308.382 -0.559 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@@H](NCc3nc(O)n[nH]3)C2)cn1 970519550 NIXYFFMVXZBZNQ-GFCCVEGCSA-N 312.333 -0.109 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)[C@]3(C)CNC(=O)C3)C2)C1 972481062 XKNWBGYHKSRKPA-JKSUJKDBSA-N 305.378 -0.551 30 20 DBED C#Cc1cncc(C(=O)NCC2[C@@H]3CN([C@H](C)C(N)=O)C[C@@H]23)c1 978696037 HAOQGTMUOJMSES-ONERCXAPSA-N 312.373 -0.156 30 20 DBED C=C1CC(C)(C(=O)N2CC[C@H](CNC(=O)[C@H]3CNC(=O)N3)C2)C1 983260196 IUWGFNRXYDLOMG-VXGBXAGGSA-N 320.393 -0.011 30 20 DBED C#CCN[C@@H]1CCN(C(=O)Cc2ccc(C(N)=O)nc2)[C@@H]1C 986416613 VXARGTOLFYAVBP-DGCLKSJQSA-N 300.362 -0.065 30 20 DBED N#Cc1cc(C(=O)N2CCCCC[C@H](NC(=O)C(N)=O)C2)c[nH]1 987008445 LNHKZOKOBVYPLU-NSHDSACASA-N 317.349 -0.127 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](CN(C)C(=O)c2cn(C)nn2)C1 988289953 ZHAUHERHFKFFMG-WDEREUQCSA-N 304.354 -0.105 30 20 DBED Cc1ncnc(O)c1C(=O)NC1CN(C(=O)C#CC2CC2)C1 998027033 XIFOEFXFDOGCQZ-UHFFFAOYSA-N 300.318 -0.155 30 20 DBED C#CCN1CC=C(CNC(=O)c2cn(C)c(=O)nc2O)CC1 1001443451 MXXPHKPBXMLMCT-UHFFFAOYSA-N 302.334 -0.519 30 20 DBED C[C@@H](C#N)C(=O)N1CC([C@@H](C)NC(=O)c2cc(C(N)=O)c[nH]2)C1 1006724069 VJZHHQXMEOOXIG-DTWKUNHWSA-N 317.349 -0.150 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](CNC(=O)c3nccnc3N)[C@H]2C1 1008902404 TUOKCGYIPJOSRP-XWLWVQCSSA-N 314.349 -0.347 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2C[C@@H](C)N(C(=O)C(N)=O)C2)nc1 1013966034 JLOHEGADYISYSZ-KOLCDFICSA-N 300.318 -0.733 30 20 DBED C#CCN1CCC(C(=O)N[C@@H]2CCN([C@H](C)C(N)=O)C2)CC1 1016330370 SAFCBAGQNCMHKE-TZMCWYRMSA-N 306.410 -0.604 30 20 DBED C=CCCN1CC[C@@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)C1 1016340941 GIQKEIAFVBVPIU-GFCCVEGCSA-N 320.397 -0.254 30 20 DBED CC#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1COCCN1C(C)=O 1018292135 JAMLVDKSVBBQEF-OWCLPIDISA-N 319.405 -0.068 30 20 DBED C=CC(C)(C)C(=O)N1CC2(CCN(C(=O)Cn3ncnn3)C2)C1 1019255447 KFDILRKKOPQRJR-UHFFFAOYSA-N 318.381 -0.054 30 20 DBED C=C(Br)CN[C@H]1CCN(C(=O)c2nnn(C)n2)C1 1019258310 ZDYPGTQLWNIUOT-QMMMGPOBSA-N 315.175 -0.077 30 20 DBED Cn1c(O)ncc(C(=O)N2C[C@@H]3CC[C@@H](NCC#N)[C@H]3C2)c1=O 1026326025 GRSOFOFTNJZFJS-ZMLRMANQSA-N 317.349 -0.550 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2CC(=O)N1CCOCC1 1032316994 MLXSGUNCAFNSFV-AGIUHOORSA-N 306.366 -0.710 30 20 DBED C#CCN1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)c[nH]c1CC(N)=O 1032639726 NPISPEVLRBDCGO-RYUDHWBXSA-N 300.362 -0.117 30 20 DBED C#CCCN1CC[C@H](N(C)C(=O)CN2CC(=O)N(C)C2=O)C1 1033576379 IHSNDXQIGLUFIY-LBPRGKRZSA-N 306.366 -0.564 30 20 DBED C#CCN1CCCC[C@H](NC(=O)CN2CCC(=O)NC2=O)C1 1034475432 YUBKTFIDOJJSLE-LBPRGKRZSA-N 306.366 -0.468 30 20 DBED C=CCN[C@H]1CC[C@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)CC1 1034747104 AJZMHNQBUGYNFS-XYPYZODXSA-N 322.365 -0.390 30 20 DBED N#CCN1CCO[C@H](CNC(=O)c2cnc3[nH]cnc3c2)C1 1035380592 IMWBGJOJYDUEKC-LLVKDONJSA-N 300.322 -0.088 30 20 DBED C#CCN1CCO[C@H](CNC(=O)C2CCN(C(C)=O)CC2)C1 1035600904 TVJDRGJWTFELNS-OAHLLOKOSA-N 307.394 -0.305 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)CC[C@@H]1NCc1nc(=O)n(C)[nH]1 1036031068 UYHYXTKMXUCJRI-YPMHNXCESA-N 317.393 -0.152 30 20 DBED C#CCCN1CC[C@@H]1CNC(=O)[C@H]1CCc2nnc(O)n2C1 1038421324 FGQFHGVDRFGJLM-NWDGAFQWSA-N 303.366 -0.240 30 20 DBED Cn1cnn(CCC(=O)N2[C@H]3CC[C@H]2CN(CC#N)CC3)c1=O 1039411584 ZYLKUDLENRSNAJ-STQMWFEESA-N 318.381 -0.439 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)c2ccns2)C1 1040044506 HCTOEFFPMLRKBK-TVQRCGJNSA-N 308.363 -0.004 30 20 DBED N#CCN1CCC2(CC1)CCN(C(=O)C[C@@H]1NC(=O)NC1=O)C2 1040731321 ITFIXODEODGIEU-NSHDSACASA-N 319.365 -0.577 30 20 DBED Cc1nnccc1C(=O)N1CC[C@@](O)(CNC(=O)[C@H](C)C#N)C1 1040764833 ZKSIBEJQVSJMGG-MEBBXXQBSA-N 317.349 -0.362 30 20 DBED CCn1cc(C(=O)NC[C@@]2(O)CCN(C(=O)[C@H](C)C#N)C2)nn1 1040772475 MEXYUIDCJCHVHS-YGRLFVJLSA-N 320.353 -0.849 30 20 DBED Cc1nccc(N2C[C@@H](O)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)n1 1040964610 HPLXIZSXZIMHJW-CHWSQXEVSA-N 312.333 -0.036 30 20 DBED C=CCOCC(=O)N1CC[C@@](O)(CNC(=O)c2ccnnc2)C1 1041016181 QRDXYIIWQHXZBT-OAHLLOKOSA-N 320.349 -0.628 30 20 DBED CC#CCN1CC[C@]2(CCN(C(=O)[C@H]3CN(C)C(=O)N3)C2)C1 1041544494 OBGFYEUGOLELHH-CJNGLKHVSA-N 304.394 -0.042 30 20 DBED COC(=O)[C@@H]1C[C@H]1C(=O)NCC1(O)CN(C(=O)C#CC(C)C)C1 1041983569 CLTKLXZEAUCCMU-VXGBXAGGSA-N 322.361 -0.856 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)CC(F)(F)F)C1 1042039899 LBVWAMLMRWHWSQ-UHFFFAOYSA-N 310.272 -0.169 30 20 DBED C=CCOCCCC(=O)NCC1(O)CN(C(=O)c2cnco2)C1 1042312985 RNTBUYIDMHDVSS-UHFFFAOYSA-N 323.349 -0.040 30 20 DBED C#CCNC(=O)CC(=O)N1CC(O)(CNC(=O)CC2CCC2)C1 1042333685 ALSKLGHHEQCCKV-UHFFFAOYSA-N 321.377 -0.994 30 20 DBED CC(C)n1nccc1C(=O)NCC1(O)CN(C(=O)[C@@H](C)C#N)C1 1043204564 ZIPOLNSPYPUEDU-NSHDSACASA-N 319.365 -0.073 30 20 DBED C=CCn1cccc1C(=O)NCC1(O)CN(C(=O)COC)C1 1043528250 VEDGNQQJGVZCRR-UHFFFAOYSA-N 307.350 -0.376 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)[C@@H]2CCC2(F)F)C1 1043591653 NXDQCFXSZNHRAS-BDAKNGLRSA-N 301.293 -0.119 30 20 DBED CN1CCC[C@H]1C(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@@H]1O 1043873524 CYHCVGUHJZHSGC-RDBSUJKOSA-N 315.377 -0.287 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CN([C@H]2CCN(C)C2=O)C1 1043924205 ULDCYXGNLFCYGD-RDBSUJKOSA-N 307.394 -0.049 30 20 DBED C=CCn1cc(C(=O)N(C)C2CN(Cc3cnnn3C)C2)nn1 1044022887 UUWQJYRXUYFVSR-UHFFFAOYSA-N 316.369 -0.451 30 20 DBED Cn1ncc(C(=O)N[C@@H]2CN(c3ccc(C#N)nc3)C[C@@H]2O)n1 1044055968 UCBDJILWTJOHTI-OLZOCXBDSA-N 313.321 -0.939 30 20 DBED C=CCCOCC(=O)N1CC(O)(CNC(=O)c2c[nH]nc2C)C1 1044351623 ZBMUKYSWAQJHCO-UHFFFAOYSA-N 322.365 -0.386 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)c2cnn(C)c2)C1 1044478682 KOZITJOZSXJIQY-UHFFFAOYSA-N 306.366 -0.065 30 20 DBED CC(=O)N1CCOC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)N2CC#N 1045894491 XJCRJRDWHICEGB-ILXRZTDVSA-N 320.393 -0.177 30 20 DBED C#CCN1CC[C@@H](N2CCN(C(=O)Cc3cncn3C)CC2)C1 1046075860 GWNLRNVHTKJJDM-OAHLLOKOSA-N 315.421 -0.186 30 20 DBED C[C@]1(NC(=O)c2cc(C#N)c[nH]2)CCN([C@H]2CCNC2=O)C1 1046224748 UVFQJSVTTHEVTB-WFASDCNBSA-N 301.350 -0.031 30 20 DBED N#CCN1C[C@H]2C[C@@H](NC(=O)CN3CCC(=O)NC3=O)C[C@H]1C2 1047181134 RKCYGIPTXBVUEJ-QJPTWQEYSA-N 319.365 -0.579 30 20 DBED CN(C(=O)c1cccc2nnn(C)c12)[C@H]1CN(CC#N)C[C@@H]1O 1047658019 KVSMLHSJZSDEBF-STQMWFEESA-N 314.349 -0.391 30 20 DBED C#CCCCC(=O)N(C)[C@H]1CN(C(=O)CN2CCCC2)C[C@@H]1O 1048753972 HXTCPWLPGQZRGX-GJZGRUSLSA-N 321.421 -0.084 30 20 DBED Cc1nc(O)nc(O)c1CC(=O)N1C[C@@H]2CN(CC#N)C[C@@H]2C1 1049129695 WYOZTAJHEUFVDH-PHIMTYICSA-N 317.349 -0.348 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cc2nc[nH]n2)C1 1049594970 RINQZJNTJWVBIB-QWRGUYRKSA-N 307.354 -0.657 30 20 DBED CC#CCN1CCOC[C@H]1CNC(=O)[C@@H]1CN(CC)CCO1 1051251594 PZZYSYOZJNOIGI-CABCVRRESA-N 309.410 -0.453 30 20 DBED N#CCN1CCOC[C@@H]1CNC(=O)c1cccc(C(N)=O)n1 1051262461 AJWYEXHNNNVHNX-JTQLQIEISA-N 303.322 -0.865 30 20 DBED CC1(C)C(=O)NC(=O)N1CC(=O)N[C@H]1CCCN(CC#N)CC1 1052843300 JTYKPIRAXDCDNE-NSHDSACASA-N 321.381 -0.189 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)C[C@@H]1CCN(C)C1=O)CCO2 1053299634 SSRARZBYGYTKKF-AWEZNQCLSA-N 319.405 -0.209 30 20 DBED N#CCN1CC2(CC[C@H](CNC(=O)c3c[nH]c(=O)cn3)O2)C1 1053653863 AVNMECOENWZSFB-SNVBAGLBSA-N 303.322 -0.743 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)c3cn(C)c(=O)cn3)CO2)C1 1053874205 AJYJBCYPIGDZNY-LBPRGKRZSA-N 316.361 -0.623 30 20 DBED C=CCN1CC2(C[C@@H](NC(=O)c3nc4ncccn4n3)CO2)C1 1053961396 VKBKEQCQURELPU-LLVKDONJSA-N 314.349 -0.117 30 20 DBED CN1CCO[C@H](C(=O)N2CCN(c3cnc(C#N)cn3)CC2)C1 1055751111 PPEBAXFKZDXRII-ZDUSSCGKSA-N 316.365 -0.673 30 20 DBED CN(C)CCC(=O)N1CCC[C@](CO)(NC(=O)C#CC2CC2)C1 1055938840 LYQVHAXUWBBEKM-KRWDZBQOSA-N 321.421 -0.179 30 20 DBED Cn1cncc1C(=O)NC1[C@@H]2CN(c3ccc(C#N)nn3)C[C@@H]12 1056336825 WERIQEMUKQGHKF-GHMZBOCLSA-N 309.333 -0.054 30 20 DBED CN1CC[C@H](C(=O)N2CC[C@@H](N=c3cc[nH]cc3C#N)C2)C1=O 1056752692 GPJISKQVHICFEN-OLZOCXBDSA-N 313.361 -0.134 30 20 DBED CN(c1ccnc(C#N)n1)[C@@H]1CCN(C(=O)Cn2cncn2)C1 1056920444 ZZUZVYUIDLWXGK-LLVKDONJSA-N 312.337 -0.323 30 20 DBED Cc1ncncc1C(=O)N(CCO)CCNC(=O)[C@H](C)C#N 1057082439 SCOUCJXSVFPUSQ-SNVBAGLBSA-N 305.338 -0.505 30 20 DBED C=C[C@](C)(O)CC(=O)N(CCO)CCNC(=O)c1ccc[nH]1 1057450721 XKQRZBMDGGYHOI-HNNXBMFYSA-N 309.366 -0.108 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCN(CCO)C(=O)CC(C)(C)O 1057462032 OAURAKPVAMCNKZ-OAHLLOKOSA-N 316.398 -0.588 30 20 DBED C=CC(C)(C)CC(=O)NCCN(CCO)C(=O)c1cn(C)nn1 1057494377 XVGTXGWPUDGGIB-UHFFFAOYSA-N 323.397 -0.032 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)[C@H]1CC(=O)N(C)C1 1057525279 NQASAJFEOIQCLI-ZDUSSCGKSA-N 323.393 -0.939 30 20 DBED Cc1cnc(C(=O)NCCN(CCO)C(=O)C#CC2CC2)cn1 1057531681 VAANBXYHXAAKIS-UHFFFAOYSA-N 316.361 -0.251 30 20 DBED CN1CC[C@@H](C(=O)NCCN(CCO)C(=O)C#CC(C)(C)C)C1 1057541315 UJIFOHCNCWBUGB-CQSZACIVSA-N 323.437 -0.075 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)C(=O)NCC(F)F 1058027041 UQMIQEGGKYERBQ-UHFFFAOYSA-N 321.324 -0.729 30 20 DBED COCCO[C@H](C)C(=O)NCCN(CCO)C(=O)[C@H](C)C#N 1058656941 NGOYZQIXYBMJHF-VXGBXAGGSA-N 315.370 -0.865 30 20 DBED N#Cc1cncc(N[C@H]2CCN(C(=O)[C@H]3CCCNC3=O)C2)n1 1058984948 CQVABPGKFGLAJL-JQWIXIFHSA-N 314.349 -0.113 30 20 DBED N#Cc1nc(=N[C@H]2C[C@H](NC(=O)CN3CCOCC3)C2)cc[nH]1 1059187045 SOTDBMIIDNPGCU-HAQNSBGRSA-N 316.365 -0.839 30 20 DBED C=CCOCC(=O)NC[C@H]1COCCN1C(=O)[C@H](C)COC 1061422001 ZDOVSRQJHNSCTQ-OLZOCXBDSA-N 314.382 -0.185 30 20 DBED C#CCO[C@H](C)C(=O)N1CCOC[C@@H]1CNC(=O)c1ncc[nH]1 1061558167 LMLGIPUSAAYXOR-NEPJUHHUSA-N 320.349 -0.595 30 20 DBED Cc1nonc1C(=O)N1CCOC[C@H]1CNC(=O)C#CC1CC1 1061572939 IBIWNIPKFMAJRI-GFCCVEGCSA-N 318.333 -0.251 30 20 DBED C=CCO[C@@H](C)C(=O)NC[C@H]1COCCN1C(=O)c1cn[nH]c1 1061667520 HNUCCBSRWRWPMD-AAEUAGOBSA-N 322.365 -0.042 30 20 DBED C#CCOCCC(=O)NCC1(NC(=O)[C@H](C)NC(C)=O)CCC1 1063037242 UDTBLDWGIMHWLT-LBPRGKRZSA-N 323.393 -0.294 30 20 DBED C=CCCC(=O)N1CCO[C@@H](CNC(=O)CNC(=O)OC)C1 1064955255 DFEWVVFKIORWIO-NSHDSACASA-N 313.354 -0.348 30 20 DBED C=CCO[C@H](C)C(=O)N1CCO[C@@H](CNC(=O)COCC)C1 1065279036 SNHUSAPMBOCBDD-OLZOCXBDSA-N 314.382 -0.042 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)[C@H]2CCNC2=O)CCO1 1065423120 WXBURBHPRWHVBN-OLZOCXBDSA-N 321.377 -0.730 30 20 DBED C[C@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@@H]1N=c1cc[nH]c(C#N)n1 1067161130 KVNDYLBPDVPNNW-UWVGGRQHSA-N 316.365 -0.460 30 20 DBED N#Cc1cc(C(=O)NC[C@@H]2CN(c3ncccn3)C[C@H]2O)c[nH]1 1067659706 ZJYQDMDIPSRRPK-DGCLKSJQSA-N 312.333 -0.097 30 20 DBED C[C@H]1[C@H](N=c2cc[nH]cc2C#N)CCN1C(=O)Cn1cnnn1 1068776243 DDNWZFYXRMDZTI-CMPLNLGQSA-N 312.337 -0.537 30 20 DBED CNC(=O)CC(=O)N[C@@H]1COC2(C1)CN(C(=O)C#CC(C)C)C2 1068826785 NEJUKBLHBIXDNS-LBPRGKRZSA-N 321.377 -0.732 30 20 DBED C=CCOCC(=O)N1CC2(C[C@@H](NC(=O)c3ncc[nH]3)CO2)C1 1068849676 NRDPBCRDIRJXMP-LLVKDONJSA-N 320.349 -0.288 30 20 DBED C[C@H]1C[C@@H](Nc2ccc(C#N)nn2)CN1C(=O)CS(C)(=O)=O 1069042153 RXXYWJXDTBVORT-GXSJLCMTSA-N 323.378 -0.206 30 20 DBED Cc1cc(CC(=O)N[C@@H]2CN(CC#N)C[C@@H]2n2ccnn2)no1 1069903710 LUEDGZNVKRDFID-OLZOCXBDSA-N 315.337 -0.318 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2C)C1 1070639231 AXOPXHSCDNJEKV-JHJVBQTASA-N 305.378 -0.111 30 20 DBED C=CCOCC(=O)N[C@H]1CN(C(=O)CCn2cncn2)C[C@@H]1C 1071618182 URTBIPYDEZGEDS-STQMWFEESA-N 321.381 -0.166 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2CN(CC(N)=O)CCCO2)cc1 1073723731 MFYIRGVIXYJMIA-OAHLLOKOSA-N 315.373 -0.026 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)c2cn(CC=C)nn2)C1 1073807338 MKCIDFDSKAPRBM-CYBMUJFWSA-N 303.366 -0.082 30 20 DBED C#CCCN1CCO[C@@H]2CCN(C(=O)CCn3ccnn3)C[C@H]21 1074226609 SXYLPQHGDURHPU-HUUCEWRRSA-N 317.393 -0.007 30 20 DBED C=CCN1CCO[C@H]2CCN(C(=O)c3cc(=O)n(C)cn3)C[C@H]21 1074269783 YSKXPMNCOCIFLZ-KGLIPLIRSA-N 318.377 -0.118 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)c3cc(OC)n(C)n3)C[C@@H]21 1074293736 CLNHHVZBIITTGP-KBPBESRZSA-N 318.377 -0.023 30 20 DBED C=CCOCC(=O)N1CC[C@H](NC(=O)CNC(C)=O)C[C@H]1C 1074774181 WATPQASNXLQCHV-YPMHNXCESA-N 311.382 -0.179 30 20 DBED C[C@@H](CCNC(=O)c1c[nH]c(C#N)c1)NC(=O)c1ncn(C)n1 1076215835 XPWZBZWDUYCZML-VIFPVBQESA-N 315.337 -0.047 30 20 DBED C#CCCN1C[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)[C@@H]2C1 1076544131 RAAQEIPFZYBALD-NWDGAFQWSA-N 304.350 -0.906 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)c2nc3ncc(C)cn3n2)C1 1077197785 FKLJJKBXBBSJTG-GHMZBOCLSA-N 302.338 -0.606 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CN(C(C)C)CCO2)C1 1077567014 XCRDYWVELBEUPW-KFWWJZLASA-N 311.426 -0.167 30 20 DBED CC(=O)Nc1cc(C(=O)N[C@@H]2CN(CC#N)C[C@H]2O)ccn1 1077869214 UGPFXSOBWHDIIC-VXGBXAGGSA-N 303.322 -0.662 30 20 DBED N#CCN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)CN1C(=O)CCC1=O)C2 1079102375 NPDHOVUQBWEAON-IJLUTSLNSA-N 304.350 -0.372 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)c1nc[nH]n1)[C@@H]1COC[C@@H]12 1079265757 ZSAIAOMTKISKMC-QWHCGFSZSA-N 315.377 -0.009 30 20 DBED CCN(C(=O)CSCC#N)C1CN(C(=O)[C@H]2CCNC2=O)C1 1079342213 DXPJMXYXBSTONN-NSHDSACASA-N 324.406 -0.561 30 20 DBED C=CCOCC(=O)N(CC)C1CN(C(=O)[C@@H]2CC[C@H]2C(N)=O)C1 1079493821 IJJFKZGEIIBETI-CHWSQXEVSA-N 323.393 -0.240 30 20 DBED CCN(C(=O)C[C@H](C)NC(N)=O)C1CN(C(=O)[C@@H](C)C#N)C1 1079780422 HYMVCBPEUFJODO-UWVGGRQHSA-N 309.370 -0.348 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)Cc2nc[nH]n2)C1 1080594071 ZXRKSEZRFWORRP-NSHDSACASA-N 321.381 -0.002 30 20 DBED C=C(C)CCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CNC(C)=O)C1 1081206929 DIVKLFVTBWICJR-QWHCGFSZSA-N 311.382 -0.586 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)c2cn(C)nn2)C[C@@H]1O 1081336440 YJGQYJVGKCTXQD-JQWIXIFHSA-N 307.354 -0.670 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(C(=O)c2ccncn2)C[C@H]1O 1081472558 ZJIOCQRLQFLZTL-TZMCWYRMSA-N 314.345 -0.561 30 20 DBED C=CCC1(C(=O)N2C[C@H](CNC(=O)C(N)=O)[C@@H](O)C2)CCC1 1081718857 JDWVULIJSQWJAN-QWRGUYRKSA-N 309.366 -0.846 30 20 DBED C#CCN1C[C@@H](NC(=O)c2cnn3c(=O)cc[nH]c23)[C@H](OC)C1 1082210233 AJVYYDHWIFQEOK-VXGBXAGGSA-N 315.333 -0.915 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CC(=O)N(C)C1 1083098447 TVOAUNBHOMYALT-HZSPNIEDSA-N 305.378 -0.600 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CN(C/C=C\Cl)C[C@@H]2O)nn1 1083842877 HTMDMFRGXBBCPO-FQVWWYAISA-N 311.773 -0.009 30 20 DBED N#CCN1CC[C@@H]2CN(C(=O)[C@@H]3CCCN(C(N)=O)C3)[C@@H]2C1 1084499079 SVXSBYQBZKWGMT-JHJVBQTASA-N 305.382 -0.167 30 20 DBED N#CCN1CC[C@@H]2CN(C(=O)[C@H]3CCCCN3C(N)=O)[C@@H]2C1 1084767834 LDBJCXZYUNICAU-JHJVBQTASA-N 305.382 -0.024 30 20 DBED C#CCN[C@@H]1CCCCCN(C(=O)CN2C(=O)CN(C)C2=O)C1 1088423087 JXKIRDLUPHLRBA-CYBMUJFWSA-N 320.393 -0.126 30 20 DBED C[C@@H]1CC[C@@H](NC(=O)CC(N)=O)CN1c1ccnc(C#N)n1 1089127210 ONYFYDWUGVYWSA-NXEZZACHSA-N 302.338 -0.303 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2cc(CN(C)C)on2)[C@H](O)C1 1090382397 QZDCAUXZEJKXON-UKRRQHHQSA-N 320.393 -0.076 30 20 DBED C=CCN1CC[C@H](NC(=O)C(=O)N2CCC(C)CC2)[C@@H](O)C1 1090630011 URMJRHTWAJRYAF-KBPBESRZSA-N 309.410 -0.018 30 20 DBED C[C@H](NC(N)=O)C(=O)N1CCN(c2cnc(C#N)cn2)CC1 1093145615 VCJPUDFIQORJNB-VIFPVBQESA-N 303.326 -0.946 30 20 DBED C#CCNC(=O)CC(=O)NCCNc1ccc([N+](=O)[O-])c(C)n1 1093558036 AZCFEXYCRMCROX-UHFFFAOYSA-N 319.321 -0.034 30 20 DBED N#Cc1ccc(NCCNC(=O)CC2CS(=O)(=O)C2)nc1 1093963243 CJIHXQJRVZJYHA-UHFFFAOYSA-N 308.363 -0.084 30 20 DBED N#CCN1CC(n2cc(CNC(=O)c3ccnc(O)c3)nn2)C1 1094282234 KFZIAGAFWONUHS-UHFFFAOYSA-N 313.321 -0.311 30 20 DBED COCCN1CCN(C(=O)[C@H](C)C#N)[C@@H]2CS(=O)(=O)C[C@@H]21 1094614527 IANKSQBDIOMUBB-GRYCIOLGSA-N 315.395 -0.898 30 20 DBED N#CCN1CC(N2C[C@@H](NC(=O)c3cscn3)CC2=O)C1 1094712065 UDSRTGBJFOSALD-VIFPVBQESA-N 305.363 -0.318 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)c3ccc(C#N)[nH]3)CC2=O)C1 1094727778 NYMYOYOURYSZMO-LBPRGKRZSA-N 311.345 -0.466 30 20 DBED C[C@H](CC(N)=O)C(=O)N1CCC(N=c2cc[nH]c(C#N)n2)CC1 1095243950 HDJUIMNAYUVNQF-SNVBAGLBSA-N 316.365 -0.315 30 20 DBED CCN(CCCNC(=O)[C@@H]1CNC(=O)N1)c1ccncc1C#N 1095959924 IEXYGWLYMIERHX-LBPRGKRZSA-N 316.365 -0.033 30 20 DBED N#Cc1nc(=N[C@@H](CNC(=O)[C@@H]2[C@H]3COC[C@H]32)C2CC2)cc[nH]1 1096777569 VHEYAOGWPVFHTA-OZTPJHRESA-N 313.361 -0.031 30 20 DBED C[C@@H](CNC(=O)CC1CS(=O)(=O)C1)Nc1cnc(C#N)cn1 1098123445 BGABJDKJWXSQGB-VIFPVBQESA-N 323.378 -0.300 30 20 DBED C#CCN(CCO)C1CCN(C(=O)[C@H]2CCC(=O)NC2)CC1 1098416950 RSFLCBCBYVLOIH-ZDUSSCGKSA-N 307.394 -0.569 30 20 DBED C#CCNCc1cn([C@H]2CCN(C(=O)c3nonc3C)C2)nn1 1098789364 BQCNNAYPBBJHSX-LBPRGKRZSA-N 315.337 -0.220 30 20 DBED CC(C)CCC(=O)N[C@@H]1CCN(CC(=O)NCC#N)C[C@@H]1O 1099663796 SQASBDUKBPZNHM-OLZOCXBDSA-N 310.398 -0.386 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)c2cscn2)[C@@H](O)C1 1099716633 YJDYNSOIEMDBDJ-PWSUYJOCSA-N 322.390 -0.943 30 20 DBED C=CCCC(=O)N[C@@H]1CCN(CCN2CCNC2=O)C[C@H]1O 1099731013 YLLISZSCLAWDJT-CHWSQXEVSA-N 310.398 -0.471 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)c2[nH]ccc2C)[C@@H](O)C1 1099799089 IGIOYAKCFFSOIY-STQMWFEESA-N 318.377 -0.762 30 20 DBED O=C(C#CC1CC1)N[C@H]1CCN(CC(=O)NCC2CC2)C[C@H]1O 1099823335 BUEMDIRGGHCSBZ-LSDHHAIUSA-N 319.405 -0.523 30 20 DBED C=CCN1CC[C@@H](NC(=O)CNC(=O)c2ccoc2)[C@@H](O)C1 1099848240 SYCFXOFHUHUAIP-OLZOCXBDSA-N 307.350 -0.253 30 20 DBED C#CCN1CC[C@H](NC(=O)CCCNC(=O)C2CC2)[C@@H](O)C1 1099864751 UOCOJFOZIGPUDW-KBPBESRZSA-N 307.394 -0.523 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)CN(C)C2CCC2)[C@H](O)C1 1099879558 LYLYYYMAJSQVQB-HZPDHXFCSA-N 323.437 -0.328 30 20 DBED CC(F)(F)CC(=O)N[C@H]1CCN(CC(=O)NCC#N)C[C@@H]1O 1099991313 IPFGJOHDTCURHE-UWVGGRQHSA-N 318.324 -0.777 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)C(C)(C)CC=C)[C@@H](O)C1 1100021064 XCYUGYMPYYAVJH-KGLIPLIRSA-N 321.421 -0.111 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CCN2CCOCC2)[C@@H](O)C1 1100036776 MWYPVFJUTGNZSO-CABCVRRESA-N 309.410 -0.717 30 20 DBED N#CCN1CC[C@@H](NC(=O)CCOC2CCOCC2)[C@@H](O)C1 1100071389 CUDOOKIRQBLMFL-KGLIPLIRSA-N 311.382 -0.353 30 20 DBED C=CCCCN1CC[C@H](NC(=O)CS(=O)(=O)NC)[C@@H](O)C1 1100117221 FBLXALHPPLQYGC-RYUDHWBXSA-N 319.427 -0.947 30 20 DBED CN(CCNC(=O)c1ccc2nnnn2c1)c1ccc(C#N)nn1 1100230148 VEIXUQJODCKKNQ-UHFFFAOYSA-N 323.320 -0.348 30 20 DBED CCO[C@H](C(=O)NCC1CC(NCC(=O)NCC#N)C1)C1CC1 1100338141 JXCMRJUGOWZHKI-HGMXIMQMSA-N 322.409 -0.074 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCN(C)c1nccnc1C#N 1100388293 HBWDEFZDDBMYKU-AWEZNQCLSA-N 312.377 -0.002 30 20 DBED CCN(CCNC(=O)[C@@H]1CC[C@@H]1C(N)=O)c1ccc(C#N)nn1 1100694565 DDURNCAPLHCXMI-NWDGAFQWSA-N 316.365 -0.198 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)CN(CC)CC)C1 1100769676 WGAYQOBHBKNFSO-UHFFFAOYSA-N 308.426 -0.438 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CN(C(=O)C[C@@H](C)OC)C[C@]2(C)C1 1101164264 YOQLTRSLVBHZHU-CPUCHLNUSA-N 321.421 -0.059 30 20 DBED CNC(=O)CC(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(C#N)n1 1102547476 BDVFZOZJZYXVMH-UWVGGRQHSA-N 300.322 -0.726 30 20 DBED C[C@H](CNC(=O)CSCC#N)CNc1nccn2nnnc12 1103881564 MOQXSCUTFDPMTP-SECBINFHSA-N 320.382 -0.060 30 20 DBED C=CCNC(=O)CNCC[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1C 1104810206 GWRRYESMNXWDDF-VXGBXAGGSA-N 320.397 -0.205 30 20 DBED C=CCCO[C@H](C)C(=O)N1CC(n2cc(CNCCO)nn2)C1 1105188155 QDVZJCPPEIQENY-GFCCVEGCSA-N 323.397 -0.276 30 20 DBED CCCC(=O)NCC(=O)NC[C@@H](O)CNc1ccc(C#N)nc1 1105727532 PJBODSVRZKGAKD-ZDUSSCGKSA-N 319.365 -0.241 30 20 DBED N#Cc1nc(NC[C@@H](O)CNC(=O)CC(N)=O)sc1Cl 1105761782 CGZLFXJTKJVSSY-YFKPBYRVSA-N 317.758 -0.567 30 20 DBED CC(=O)N(C)CC(=O)NC[C@@H](O)CN=c1cc(C)[nH]cc1C#N 1105777528 AUSZAPDVJNWLQC-ZDUSSCGKSA-N 319.365 -0.949 30 20 DBED C[C@@H]1CN(C(=O)c2ncc[nH]2)C[C@H]1CNCC(=O)NCC#N 1106091976 OGZVIMSLZVLTCL-GHMZBOCLSA-N 304.354 -0.653 30 20 DBED C=CCn1cc(C(=O)NC[C@H](O)CNc2nccnc2F)nn1 1106132321 YIKPRFGIZZPAQL-SECBINFHSA-N 321.316 -0.404 30 20 DBED CCc1nc(C#N)cc(NCCN(CC)C(=O)CNC(N)=O)n1 1106689619 AENLSJHEZWCQGP-UHFFFAOYSA-N 319.369 -0.161 30 20 DBED C=C(C)CNC[C@@H]1CN(C(=O)c2cn(CC(N)=O)nn2)C[C@H]1C 1107034308 UUZNUINQOWNQIU-VXGBXAGGSA-N 320.397 -0.363 30 20 DBED CNC(=O)NCCC(=O)NC/C=C/CNc1cnc(C#N)cn1 1107151099 GSMXLOWWDDVWLZ-NSCUHMNNSA-N 317.353 -0.248 30 20 DBED N#Cc1cnc(NC/C=C/CNC(=O)[C@H]2COC(=O)N2)cn1 1107175485 LSYFYBLKTWCJTG-TXXBHVLJSA-N 302.294 -0.459 30 20 DBED N#Cc1cnc(NC/C=C\CNC(=O)CCNC(N)=O)cn1 1107190255 UTISQDZTJWIKIA-UPHRSURJSA-N 303.326 -0.509 30 20 DBED N#Cc1cnc(NC/C=C\CNC(=O)[C@@H]2CCC(=O)NC2)cn1 1107592683 KPCBSLZZXVPFHP-RFMOXSJOSA-N 314.349 -0.041 30 20 DBED C=CCOCCN1CCO[C@@](C)(CNC(=O)CNC(N)=O)C1 1107724148 KMLGFAYQBKAXFY-AWEZNQCLSA-N 314.386 -0.936 30 20 DBED C[C@@]1(CNC(=O)CNC(=O)N2CCCC2)CN(CC#N)CCO1 1107939676 IHPNPVMHJNBUOT-OAHLLOKOSA-N 323.397 -0.478 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)CN(C)C(=O)C(C)C)C1 1107980827 YKBIZIASFDUGOD-INIZCTEOSA-N 309.410 -0.059 30 20 DBED CCOCCCN1CC(N2C[C@@H](NC(=O)[C@@H](C)C#N)CC2=O)C1 1108528073 SJNZMSGGMSVUEY-STQMWFEESA-N 322.409 -0.026 30 20 DBED C=CCCN1CC(N2C[C@@H](NC(=O)[C@H](O)C(C)C)CC2=O)C1 1108542713 LQZKSZGEJGDKLY-SWLSCSKDSA-N 309.410 -0.019 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)CN(CC)CC)CC2=O)C1 1108581151 JJSQSKKAECAUSY-ZDUSSCGKSA-N 308.426 -0.085 30 20 DBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CSCC#N 1108947030 AIZABBYPWIFNDI-WOPDTQHZSA-N 321.406 -0.396 30 20 DBED C[C@H](CN(C)c1ccnc(C#N)n1)NC(=O)[C@@]1(C)CNC(=O)C1 1109157075 VZQPRTPNPHNENS-MEBBXXQBSA-N 316.365 -0.185 30 20 DBED CN(CCCNc1nccnc1C#N)C(=O)C1CS(=O)(=O)C1 1109531742 UOAPFCHFNMFKJS-UHFFFAOYSA-N 323.378 -0.347 30 20 DBED N#Cc1nccc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)CCNC(N)=O)n1 1109708572 IKBKAGVTNDPJKT-VYUIOLGVSA-N 315.337 -0.900 30 20 DBED N#Cc1ccc(NC[C@@H](NC(=O)[C@H]2COC(=O)N2)C2CC2)nn1 1109832495 HOVISQMDFKSRHK-GHMZBOCLSA-N 316.321 -0.237 30 20 DBED N#Cc1cncc(NC2(CNC(=O)[C@H]3COC(=O)N3)CC2)n1 1110121893 QYHFGYCNDVJLTR-SECBINFHSA-N 302.294 -0.483 30 20 DBED N#Cc1nccnc1NC1(CNC(=O)C(=O)NCC(F)F)CC1 1110276116 NENYFNSJFCVWRM-UHFFFAOYSA-N 324.291 -0.210 30 20 DBED C#CCCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCNS(C)(=O)=O 1110618827 CSCUTHNFRRWYND-UPJWGTAASA-N 313.423 -0.330 30 20 DBED COCCC(=O)NC[C@]1(O)CCN(c2cncc(C#N)n2)C1 1111015499 HHOZCEGUHSZOMG-CQSZACIVSA-N 305.338 -0.558 30 20 DBED Cc1cc(C#N)nc(N[C@H]2CN(C(=O)CNC(N)=O)C[C@@H]2C)n1 1112306190 AEFPFDYYPRGHDR-KWQFWETISA-N 317.353 -0.416 30 20 DBED CN(C)CCC(=O)NC[C@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1112754937 JATJPFGFQVPTFZ-AAEUAGOBSA-N 318.381 -0.787 30 20 DBED C=CCN1CCN(C(=O)CN(C)S(=O)(=O)N(C)C)CC1 1112849002 ZNVATXJGTZVDIQ-UHFFFAOYSA-N 304.416 -0.945 30 20 DBED CN1CCCC[C@@H]1C(=O)N1CCN(CC(=O)NCC#N)CC1 1113018849 CHBGNERIWDEDRR-CYBMUJFWSA-N 307.398 -0.745 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)c2c[nH]nc2CC)CC1 1113059155 QTENJBZITNPKLQ-GFCCVEGCSA-N 317.393 -0.132 30 20 DBED C=CCOCCN1CCN(C(=O)c2cn(C)c(=O)cn2)CC1 1113129045 OLQACQIWOFJLDU-UHFFFAOYSA-N 306.366 -0.259 30 20 DBED CCc1nc(C)c(C(=O)N2CCN(CC(=O)NCC#N)CC2)o1 1113494266 QBNBVIFWZOUTCI-UHFFFAOYSA-N 319.365 -0.057 30 20 DBED CCC(=O)NCC(=O)NC[C@@H](C)N(C)c1ccc(C#N)nn1 1113537111 HYNQQPWESUIWGP-SNVBAGLBSA-N 304.354 -0.185 30 20 DBED Cn1cc(CCC(=O)N2CCN(CC(=O)NCC#N)CC2)cn1 1113673449 SBUBCCSWNFPPBX-UHFFFAOYSA-N 318.381 -0.863 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)c3cc(C)on3)[C@H]2C1 1113818745 IDSZBISICKLVBQ-SRVKXCTJSA-N 316.361 -0.219 30 20 DBED Cc1cc(C#N)nc(N2CC[C@@H](C)[C@@H](NC(=O)CC(N)=O)C2)n1 1114009413 ZUADCTIYGGATTH-SKDRFNHKSA-N 316.365 -0.137 30 20 DBED CSC[C@H](C)C(=O)NC1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]12 1114041222 IFBNWCHPDYYBJG-HBNTYKKESA-N 310.423 -0.328 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3coc(CC)n3)[C@H]2C1 1114158179 RALPRGLGXPVJFB-QWRGUYRKSA-N 316.361 -0.354 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3c(C)ccn3C)[C@H]2C1 1114175865 MCFQBKCJSOIWKK-NHAGDIPZSA-N 314.389 -0.257 30 20 DBED CS(=O)(=O)CCCN1C[C@H]2[C@H](NC(=O)C#CC3CC3)[C@H]2C1 1114257858 HANUJYQZSMPLQY-NHAGDIPZSA-N 310.419 -0.119 30 20 DBED N#Cc1cnc(N2C[C@@H]3C(CNC(=O)CC(N)=O)[C@H]3C2)cn1 1114546583 FXYLWNZJIUFFTI-GHMZBOCLSA-N 300.322 -0.978 30 20 DBED C[C@H]1C[C@@H](CN=c2cc[nH]cc2C#N)CN1C(=O)CNC(N)=O 1114663210 GSMZEANMBPYSDF-QWRGUYRKSA-N 316.365 -0.308 30 20 DBED C=C(C)CN1C[C@H]2[C@H](NC(=O)COCc3ncnn3C)[C@H]2C1 1115045881 BFZUUFXRZZLPNZ-JYAVWHMHSA-N 305.382 -0.046 30 20 DBED CNC(=O)NCC(=O)N[C@H](C)CCCNc1cnc(C#N)cn1 1115108536 NYGSMCKRJDHCRN-SNVBAGLBSA-N 319.369 -0.026 30 20 DBED C#CCNC(=O)C1CCN(C(=O)C(=O)c2cnn(C)c2)CC1 1116937373 DAQWTFXMKDDMAP-UHFFFAOYSA-N 302.334 -0.409 30 20 DBED C[C@@H](CN(C)C(=O)[C@H]1CN(C)C(=O)N1)Nc1cncc(C#N)n1 1120408452 MTEDTNKCNLOMEM-GXSJLCMTSA-N 317.353 -0.369 30 20 DBED Cc1cc(C(=O)NC[C@H](CO)N=c2cc[nH]cc2C#N)nn1C 1121150491 LYSHNGUGXKYBLJ-GFCCVEGCSA-N 314.349 -0.380 30 20 DBED Cc1cc(=N[C@H](CO)CNC(=O)[C@@H]2CCCO2)c(C#N)c[nH]1 1121184882 WDJYAMVINBCYLC-JSGCOSHPSA-N 304.350 -0.248 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)C2=CCOCC2)nn1 1121339110 FSIGTKBKYLBCOQ-LBPRGKRZSA-N 303.322 -0.416 30 20 DBED COCC#CCNC1CC2(C1)CC(NC(=O)[C@@H]1CNC(=O)N1)C2 1121654152 SNSGIUBXDFBTDV-KSISSFPLSA-N 320.393 -0.665 30 20 DBED CCc1nc(C#N)cc(N[C@H](CO)CNC(=O)c2nc[nH]n2)n1 1121894119 YBCIBAIDMGACMY-VIFPVBQESA-N 316.325 -0.768 30 20 DBED C[C@H]1[C@H](Nc2ccc(C#N)nn2)CCN1C(=O)CCNC(N)=O 1123013591 YFSXGMZRNJJDSE-GXSJLCMTSA-N 317.353 -0.192 30 20 DBED CC(=O)NCC(=O)N1C[C@@H](Nc2nccnc2C#N)C[C@H]1C 1123120613 GYDBHGSKQHSMGI-KOLCDFICSA-N 302.338 -0.114 30 20 DBED CN(C[C@H](O)CNc1ccc(C#N)cn1)C(=O)[C@@H]1CCNC1=O 1124693300 DDAYEVZWWITGNF-VXGBXAGGSA-N 317.349 -0.679 30 20 DBED C[C@H](C#N)C(=O)NCCNC[C@H]1CCN(S(C)(=O)=O)C1 1124894768 BNHCDYIQIZUCPL-GHMZBOCLSA-N 302.400 -0.867 30 20 DBED CC(C)[C@@H](O)C(=O)N(C)C[C@@H](O)CN(C)c1cncc(C#N)n1 1125075106 LSTDPWUTBSNZMZ-GXTWGEPZSA-N 321.381 -0.379 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)c2cnn(CCF)c2)C1=O 1130664819 RJCXLPVDUOCHEO-CYBMUJFWSA-N 323.372 -0.041 30 20 DBED CCC(=O)N1C[C@@H]2C[C@@H]3CN(CC(=O)NCC#N)C[C@]2(C1)O3 1131164702 SBCGJPGARMKLTJ-YWPYICTPSA-N 306.366 -0.662 30 20 DBED C=CCN1C[C@H]2C[C@H]3CN(C(=O)CNC(=O)OC)C[C@@]3(C1)O2 1131190045 ABWAUPLZCAFXBL-YWPYICTPSA-N 309.366 -0.170 30 20 DBED CC#CCN1CC[C@@]2(C1)CN(C(=O)CC(=O)NC)C[C@H](C)O2 1131653068 POKBNPUFYCXZEC-XJKSGUPXSA-N 307.394 -0.162 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)c1cnc(C)n1C 1132886247 HWNGBWDBBUMVJU-UHFFFAOYSA-N 322.369 -0.940 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)CC[C@@H]1C 1132931714 CIOUYMIINKGTIA-UONOGXRCSA-N 319.409 -0.321 30 20 DBED C#CCNC(=O)CNC[C@H]1CN(C(=O)c2cnon2)CC[C@H]1C 1133182977 WHYXKCCUWRFMTK-NEPJUHHUSA-N 319.365 -0.493 30 20 DBED C=CCNC[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)CC[C@H]1C 1133185598 GAZHSJJSOAEZGE-VXGBXAGGSA-N 308.382 -0.202 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1Cc2ccncc2C1 1133881042 YQBHEBMNIXQVKN-TZMCWYRMSA-N 314.389 -0.360 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)CN1CCCCS1(=O)=O)NCC#N 1135009704 ZWHGSUMOZCPFGJ-NWDGAFQWSA-N 316.427 -0.192 30 20 DBED COCC#CCNCCNC(=O)[C@@]1(C)CCCS1(=O)=O 1135159460 UQHJIVAYDSXBSI-CYBMUJFWSA-N 302.396 -0.691 30 20 DBED COCC#CCN1CCC2(C1)CN(C(=O)[C@@H]1CCNC(=O)C1)C2 1147328764 DLIXHCGXKFOKCC-CQSZACIVSA-N 319.405 -0.303 30 20 DBED C=CCOCCN1CCC2(C1)CN(C(=O)[C@@H]1CCNC1=O)C2 1148045348 KQQSHHDCPIGFDZ-CYBMUJFWSA-N 307.394 -0.141 30 20 DBED CC(C)c1nn(C)cc1C(=O)NCCNCC(=O)NCC#N 1150989773 BSKXCRDRLLMZJU-UHFFFAOYSA-N 306.370 -0.497 30 20 DBED C#CCCN(CC)[C@H](C)CNC(=O)CCNS(C)(=O)=O 1153710268 JUOWSMLDMAPVPF-GFCCVEGCSA-N 303.428 -0.224 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@H](C)C1CCOCC1 1153875653 FHEQBJODIMKCFU-CHWSQXEVSA-N 309.410 -0.107 30 20 DBED C=CCNC(=O)CNCCNC(=O)CNC(=O)C(CC)CC 1153948936 NWZDQHJXFSMNRE-UHFFFAOYSA-N 312.414 -0.453 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)Cn1ccnc1 1157293327 FUPIXAJLHRWLLS-CYBMUJFWSA-N 305.382 -0.541 30 20 DBED COCc1ccc(C(=O)NCCCNCC(=O)NCC#N)o1 1162135251 ZJKLFGCAMSPTTG-UHFFFAOYSA-N 308.338 -0.225 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)C[C@@H]1CCCC(=O)N1 1162184041 QZYKWYAWCAJLHU-STQMWFEESA-N 322.409 -0.721 30 20 DBED C=CCn1cc(C(=O)NCCCNCC(=O)NC2CC2)nn1 1167838583 HPUXMMUEOUINTF-UHFFFAOYSA-N 306.370 -0.548 30 20 DBED C=CCOCCNC[C@]1(C)CN(C(=O)[C@H]2CNC(=O)N2)C[C@H]1C 1182437842 SZNMETYKKSSHEP-XJKCOSOUSA-N 324.425 -0.055 30 20 DBED C=CCNC[C@]1(C)CN(C(=O)[C@@H]2CCS(=O)(=O)N2)C[C@H]1C 1183432683 LMWFWNAJHHRPRF-MBNYWOFBSA-N 315.439 -0.062 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@H]1CCN(C(=O)COCC=C)C1 1189370915 MJPJTCHVJHHPAC-KGLIPLIRSA-N 307.394 -0.140 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)[C@H]2COCCN2C)C1 1189695884 UAVDUPNYRIYNBC-UONOGXRCSA-N 324.425 -0.848 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)CCS(=O)(=O)NC)C1 1192924559 LWLVJCDPYLTLLR-VXGBXAGGSA-N 319.427 -0.947 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)Cc2ccco2)C1 1197091920 VEXBCWYNCNZNPC-MRVWCRGKSA-N 321.377 -0.326 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)c2cnc(OC)nc2)C1 1197442073 QTCMCEAPTVFMCL-CHWSQXEVSA-N 322.365 -0.537 30 20 DBED C#CCCN1CCCN(C(=O)CN(C)S(=O)(=O)CC)CC1 1197640532 YTKCRVIVWUBPLC-UHFFFAOYSA-N 315.439 -0.175 30 20 DBED Cc1nonc1C(=O)N1CCCN(CC(=O)NCC#N)CC1 1198368050 LBJZLJRJCXKGDI-UHFFFAOYSA-N 306.326 -0.834 30 20 DBED C#CCN[C@H](CNC(=O)[C@H]1CNC(=O)N1)c1ccccc1OC 1198875834 KECHSPGXFPMILC-CHWSQXEVSA-N 316.361 -0.243 30 20 DBED CS(=O)(=O)CCC(=O)N1CCCO[C@@H](CNCC#N)C1 1200824249 JWPJXDRCXOKIQV-NSHDSACASA-N 303.384 -0.848 30 20 DBED C[C@H]1C[C@@H]1C(=O)N1CCCO[C@H](CNCC(=O)NCC#N)C1 1201154620 HHKIKDUXAUOKQN-XQQFMLRXSA-N 308.382 -0.511 30 20 DBED CC#CCNC1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)CC1 1202737957 LRRJOXPGUOUOLJ-UHFFFAOYSA-N 318.377 -0.699 30 20 DBED C[C@H]1CO[C@H](C(=O)N2CCC(CNCC(=O)NCC#N)CC2)C1 1205721838 BVWIYBFNQPVILL-OCCSQVGLSA-N 322.409 -0.121 30 20 DBED N#CCNC(=O)CN[C@H]1CCCN(C(=O)[C@H]2CCCOC2)C1 1207660895 QWLSSLSDAKYXGA-STQMWFEESA-N 308.382 -0.367 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@H]1CCCN(C(=O)Cn2nccn2)C1 1208231198 UHCWRWGJGXEHEV-OLZOCXBDSA-N 320.397 -0.451 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H](NCC(=O)NC)C1 1208352809 PCMOYGTZPDTTIK-KGLIPLIRSA-N 306.410 -0.589 30 20 DBED COCC#CCN1C[C@@H](NC(=O)CC(=O)NCC2CC2)[C@H](C)C1 1210152611 QRJGBWXNVRRHMT-UKRRQHHQSA-N 321.421 -0.011 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)CN(CC)CC)C1 1210221255 YOQWITJXRGPKRR-AWEZNQCLSA-N 308.426 -0.342 30 20 DBED C#CCN[C@@H]1CCCN(C(=O)CCC(=O)N2CCOCC2)C1 1210965968 LEFHPUQPNOLUDW-CQSZACIVSA-N 307.394 -0.161 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@H](OC)c2cnn(C)c2)[C@H](OC)C1 1213221431 DCYIIAHLJCKEEF-MGPQQGTHSA-N 306.366 -0.444 30 20 DBED COCC#CCN1C[C@@H](NC(=O)[C@H](COC)OC)[C@H](OC)C1 1213414420 OXTWPZWQWTWFEY-MCIONIFRSA-N 314.382 -0.887 30 20 DBED CC(C)n1ncnc1CN1C[C@H](O)[C@H](NC(=O)C#CC2CC2)C1 1219591434 DKDQBJDCEFZQMS-KGLIPLIRSA-N 317.393 -0.066 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)CCCC#CC)C1 1220176778 VUAANYUEKRPUHZ-KGLIPLIRSA-N 307.394 -0.357 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)COC[C@H](C)N2CCCC2)C1 1220377635 HOGPETXYZUOGNV-ZNMIVQPWSA-N 309.410 -0.718 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCC(CNC(=O)CC(=O)NC)CC1 1222947600 XOKGDGOUOBQHQC-GFCCVEGCSA-N 324.425 -0.359 30 20 DBED C=CCN1CCC(CNC(=O)CN2C(=O)C(=O)N(C)C2=O)CC1 1224721563 VVEIIMSLHOIMCZ-UHFFFAOYSA-N 322.365 -0.579 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)[C@H]2CCCOC2)CC1 1226494668 XWOKXUGVLYAEFT-ZDUSSCGKSA-N 307.394 -0.257 30 20 DBED C=CCOCCN1CCC(NC(=O)CS(=O)(=O)NC)CC1 1230285152 PJMMVASDIPTUJV-UHFFFAOYSA-N 319.427 -0.681 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC[C@@H]1CN(C)C(=O)c1cn(C)nn1 1234051850 XAIHKGMYVSMAMK-VXGBXAGGSA-N 320.397 -0.348 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)CCCNC(=O)CCn1cccn1 1234115266 AEDKLJDKNKOHAG-CQSZACIVSA-N 319.409 -0.151 30 20 DBED CN(C[C@H]1CCN1CC(=O)NCC#N)C(=O)[C@@]12COC[C@@H]1C2 1234402514 LSKIYIZQURPJQL-ZOWXZIJZSA-N 306.366 -0.805 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)Nc1ccn(CCN(C)C)n1 1255019424 QPRIOJCLJJSGNW-LLVKDONJSA-N 309.370 -0.300 30 20 DBED C=CCNC(=O)CNC(=O)N1CCC[C@H](CS(C)(=O)=O)C1 1261232561 LEHWYGHFWGGKFC-NSHDSACASA-N 317.411 -0.245 30 20 DBED Cn1cc(C(=O)N[C@@H]2CCCN(O)C2=O)c(=O)c2cnn(C)c21 1261550344 VOTJBBKKPDOLNC-SNVBAGLBSA-N 319.321 -0.618 30 20 DBED COCC#CCN1CCC[C@H](NC(=O)CCc2nc[nH]n2)C1 1268183981 NXYZZWGAMWRQAD-ZDUSSCGKSA-N 305.382 -0.032 30 20 DBED N#CCNC(=O)CNC[C@@H]1CCCCN1C(=O)c1csnn1 1275019155 NHDUJBKLSDCWEQ-JTQLQIEISA-N 322.394 -0.238 30 20 DBED N#CCCCOC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 1317812696 AGYONGBXNHUUBV-MNOVXSKESA-N 314.363 -0.131 30 20 DBED C=CCN(C(=O)Cn1cnc(C#N)n1)[C@@H]1CCS(=O)(=O)C1 1319260653 DCGQJJOKEGUJMI-SNVBAGLBSA-N 309.351 -0.649 30 20 DBED COc1ccc(C#N)cc1NC(=O)C(=O)NCc1ncn(C)n1 1319932542 ALUFCAMLUGWGQF-UHFFFAOYSA-N 314.305 -0.050 30 20 DBED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1ccn(CCOC)n1 1321207192 VVTFGXXQHPXKLF-LLVKDONJSA-N 308.338 -0.642 30 20 DBED C[S@](=O)CCNC(=O)C(=O)NCc1cccc(OCC#N)c1 1322742391 FOKWVJVXXFUJIV-QFIPXVFZSA-N 323.374 -0.300 30 20 DBED N#CCNC(=O)CNC(=O)[C@H]1CC[C@@H](C(F)(F)F)NC1=O 1324391623 OSDYLEXAXUPUFJ-RQJHMYQMSA-N 306.244 -0.801 30 20 DBED C=CCN(C)C(=O)C(=O)N1CCN(C(=O)N2CCCC2)CC1 1325089183 HHNIJRGMWHHMNI-UHFFFAOYSA-N 308.382 -0.009 30 20 DBED C=C[C@@H]1CCCCN1C(=O)C(=O)N1CCO[C@H](C(=O)OC)C1 1325136720 ZLWBVUYCQOQTTA-NEPJUHHUSA-N 310.350 -0.046 30 20 DBED C#C[C@@H](NC(=O)C(=O)Nc1ncn(CC(=O)OCC)n1)C(C)C 1325949873 YYZGXMXXYREHKH-SNVBAGLBSA-N 321.337 -0.446 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)CC[C@@H]2NC(=O)NC2=O)C1=O 1328619848 AIRKLXZGQRUJPV-UWVGGRQHSA-N 308.338 -0.780 30 20 DBED CN1CC[C@@](O)(CNC(=O)C(=O)Nc2cccc(C#N)n2)C1 1329298552 INVYHBQMQLFVDC-CQSZACIVSA-N 303.322 -0.925 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)N2CCO[C@@H](C(F)F)C2)CCO1 1329751815 QSUORIQDCKFIIP-DTWKUNHWSA-N 303.265 -0.770 30 20 DBED N#CCN1CCC(NC(=O)C(=O)NCc2cccc(N)c2)CC1 1329838564 RTIRKJCBCKGLLG-UHFFFAOYSA-N 315.377 -0.011 30 20 DBED CC(C)C[C@@H]1CN(C)CCN1C(=O)C(=O)N1CCO[C@@H](C#N)C1 1335137211 NYIAMNKJNCYJAQ-KGLIPLIRSA-N 322.409 -0.074 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N[C@@H]1CCCN(C(=O)OC)C1 1341146632 AFBYRZHINDFWTH-GHMZBOCLSA-N 313.354 -0.349 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CCN(C(=O)OCC)CC1 1343067956 IGHICNBOUUKYDL-LLVKDONJSA-N 313.354 -0.396 30 20 DBED C#C[C@H](C)N(C)C(=O)C(=O)Nc1cnn(CC(=O)N(C)C)c1 1343905763 YXEKJYHVIWZNLX-JTQLQIEISA-N 305.338 -0.610 30 20 DBED C#CCCCC(=O)N[C@H]1CCN(C(=O)CNC(=O)NC)[C@@H]1C 1345320777 ODFUKWTWKMDREZ-NEPJUHHUSA-N 308.382 -0.176 30 20 DBED C#C[C@H]1COCCN1C(=O)NC[C@@H]1CC2(CCNCC2)C(=O)O1 1353477105 SSQPNTFRONOODO-STQMWFEESA-N 321.377 -0.285 30 20 DBED CCCN1CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)CC1 1361906786 SJHJZHCYLYKOBD-UHFFFAOYSA-N 319.365 -0.235 30 20 DBED CC(C)(C)OC(=O)CNC(=O)CCn1cc(C#N)c(O)nc1=O 1362191352 YLNFZUAPBZIIPT-UHFFFAOYSA-N 322.321 -0.331 30 20 DBED CS(=O)(=O)c1ncnn1[C@H](C(N)=O)c1ccc(C#N)cc1 1364615433 UGKFADPSZLLKCM-JTQLQIEISA-N 305.319 -0.372 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)CCCS(C)(=O)=O)C1 1372294023 OKCLZKWNOIHDNH-QWRGUYRKSA-N 315.395 -0.312 30 20 DBED CNC(=O)CN(CCNC(=O)c1cc(C#N)c[nH]1)CCOC 1382541489 BDXFRFINNKBABS-UHFFFAOYSA-N 307.354 -0.689 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](C)CNC(=O)c1ccc(C(N)=O)nc1 1399407383 RIBGVWBCLXWAGZ-ZJUUUORDSA-N 317.349 -0.178 30 20 DBED CC(=O)N[C@@H](C)C(=O)N1CCC2(C1)CN(C(=O)[C@H](C)C#N)C2 1413740748 LTRWJEJENZVDEJ-MNOVXSKESA-N 306.366 -0.268 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)Cn1ncnn1 1426720273 PXEYCDQTOHQTFH-HBNTYKKESA-N 305.342 -0.624 30 20 DBED C[C@H](C#N)C(=O)N1CCN(CCNC(=O)c2csnn2)CC1 1429798608 SUOSCHZLIOFIQD-SNVBAGLBSA-N 322.394 -0.428 30 20 DBED C=C(Cl)CNC[C@H](O)CN(C)C(=O)c1cnc(O)n1C 1442001664 KDRUIHSRTSPIHX-VIFPVBQESA-N 302.762 -0.099 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(Cc2nc(C(C)(C)C)n[nH]2)C1 1446828964 OHGPPRBRDQAQBS-JTQLQIEISA-N 320.397 -0.075 30 20 DBED CC(=O)N[C@H](C)C(=O)NC[C@@H](C)CNC(=O)c1cc(C#N)c[nH]1 1457257321 MAXZKTXEAVMWNW-NXEZZACHSA-N 319.365 -0.107 30 20 DBED COCC#CCN1CCO[C@@H](CNC(=O)C[C@H]2CCOC2)C1 1482199739 SFNHDVNSQPZICS-CABCVRRESA-N 310.394 -0.120 30 20 DBED COCC1(C(=O)N(C)C[C@H](O)CNC(=O)[C@@H](C)C#N)CCC1 1511576015 ZCAKUNLLGBQQHQ-NWDGAFQWSA-N 311.382 -0.102 30 20 DBED C=CCCOCC(=O)N1CCC[C@H]1CNC(=O)CNC(=O)O 1573360664 UMAXCEZCFKIFID-NSHDSACASA-N 313.354 -0.046 30 20 DBED C=CCNC(=O)CN1CCC(N(C)C(=O)[C@@H]2C[C@H]2C(=O)O)CC1 1573369027 VNVTZKOAKYTWSM-CHWSQXEVSA-N 323.393 -0.068 30 20 DBED C[C@H](C(=O)N1CCO[C@](C)(C#N)C1)n1cnc(-c2nn[nH]n2)n1 1573642908 RBRSYPVVVHZTFQ-PRHODGIISA-N 317.313 -0.840 30 20 DBED C[C@@H](Nc1cnc(-c2nn[nH]n2)c(C#N)n1)[C@H]1CN(C)CCO1 1575440188 WBBSINFYNWJEPT-PSASIEDQSA-N 315.341 -0.341 30 20 DBED N#Cc1cn(C2CN(C(=O)[C@H]3C[C@H]4CC[C@@H]3N4)C2)c(=O)nc1O 1580081098 SBIXIIZDLQTMHO-USWWRNFRSA-N 315.333 -0.656 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)NC[C@@H](C)C(=O)O)CC1 1588465577 UQNLVUGUHNJOAL-LLVKDONJSA-N 312.370 -0.664 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C1(CC(=O)O)CCOCC1 1588469644 RKFGORVGBPSALG-UHFFFAOYSA-N 319.379 -0.025 30 20 DBED C[C@]1(CC(=O)N(CC#N)CCC(=O)O)CCS(=O)(=O)N1 1593996140 ITRUISWEOMACLE-LLVKDONJSA-N 303.340 -0.715 30 20 DBED CCN(CCC#N)S(=O)(=O)N[C@@](C)(COC)CC(=O)O 1596300277 SNMZRXUJOQMERH-LLVKDONJSA-N 307.372 -0.064 30 20 DBED CN(CCC#N)S(=O)(=O)N1C[C@H]2COCC[C@@]2(C(=O)O)C1 1610115907 YIHPIRJJWXQERI-CMPLNLGQSA-N 317.367 -0.500 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)Cc2ncc[nH]2)C1 1661359259 VQPKTUYXSHTDAN-NEPJUHHUSA-N 305.382 -0.167 30 20 DBED N#CCNC(=O)CNC[C@@H]1CCCCN1C(=O)[C@@]12COC[C@@H]1C2 1731546174 VVTDNUXQWBCFPH-XEZPLFJOSA-N 320.393 -0.367 30 20 DBED COCC#CCN[C@@H](CNC(=O)[C@@H]1CCNC(=O)C1)C1CC1 1752454623 NYRMXPYIYMJPMB-KGLIPLIRSA-N 307.394 -0.353 30 20 DBED C#CCN1CCO[C@H](CNC(=O)CNC(=O)c2ccsc2)C1 1753657951 KTNMRYUPNNTTBT-CYBMUJFWSA-N 321.402 -0.072 30 20 DBED COCC#CCNC[C@@H](CC(C)C)NC(=O)CS(C)(=O)=O 1753734322 YVBODDRAMZBKLG-CYBMUJFWSA-N 318.439 -0.199 30 20 DBED C=CCN1CC[C@@H](NC[C@H](O)CNC(=O)c2coc(C)n2)C1=O 1753908018 DJUPGAQPJYIMGG-NWDGAFQWSA-N 322.365 -0.550 30 20 DBED C[C@@H](CN(C)CC(=O)NCC#N)NC(=O)c1cccc(=O)n1C 1754325430 PHTOBGYRTXHPGI-NSHDSACASA-N 319.365 -0.925 30 20 DBED N#CCNC(=O)CNC[C@H]1CCCC[C@@H]1NC(=O)c1nc[nH]n1 1754352976 KKGMPXKKWPVRRO-MNOVXSKESA-N 319.369 -0.677 30 20 DBED C=C(C)CNC1(CNC(=O)CNS(=O)(=O)N(C)C)CC1 1754527959 WSFCKEBTBSSORT-UHFFFAOYSA-N 304.416 -0.803 30 20 DBED C=CCN1CC[C@@H](N2CC(N(C)C(=O)CCN(C)C)C2)C1=O 1754580873 PXCGWYRWYGFMNR-CQSZACIVSA-N 308.426 -0.132 30 20 DBED C#CCNC(=O)CN1CC(N(C)C(=O)CCc2cncn2C)C1 1754585875 GJJMQEVICARGRJ-UHFFFAOYSA-N 317.393 -0.755 30 20 DBED C=CCCN1CC[C@](O)(CNC(=O)CS(=O)(=O)CC)C1 1754762104 JGOSXALYDZBIAY-ZDUSSCGKSA-N 304.412 -0.450 30 20 DBED Cc1conc1C(=O)N1C[C@@H]2CN(CC(=O)NCC#N)C[C@@H]2C1 1754846759 UFTPYNCVBGGOBF-TXEJJXNPSA-N 317.349 -0.373 30 20 DBED N#CCNC(=O)CNCC[C@@H]1CCN(C(=O)Cc2ccon2)C1 1754907196 CHFCIZBPUFAVSY-GFCCVEGCSA-N 319.365 -0.315 30 20 DBED C=C(C)CN1CCC(CO)(NC(=O)C2CS(=O)(=O)C2)CC1 1755177741 AKJRZLHVVZBQTG-UHFFFAOYSA-N 316.423 -0.450 30 20 DBED C#CCNC(=O)CN(C)[C@H](C)CNC(=O)[C@@H]1CCCOCC1 1755297390 AAOGTVXFVDDFCA-ZIAGYGMSSA-N 309.410 -0.011 30 20 DBED CN1C(=O)CN(CC(=O)NC[C@@H]2CCCCCN2CC#N)C1=O 1755367932 LNNQYBINTYVRQZ-LBPRGKRZSA-N 321.381 -0.235 30 20 DBED CCn1cnc(C(=O)NC[C@@H](O)CN(C)C(=O)C#CC2CC2)c1 1756661540 AGRYMRWYWSLNHY-CYBMUJFWSA-N 318.377 -0.135 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc[nH]c2C)C1 1756988683 WIBQQZSPMQBIFZ-IACUBPJLSA-N 319.361 -0.337 30 20 DBED CC(C)(C)C#CC(=O)N[C@@H]1CN(C(=O)[C@@H]2COCCO2)C[C@@H]1O 1757171748 FJGWFRAIAIGUCE-AGIUHOORSA-N 324.377 -0.861 30 20 DBED COc1cc(C#N)ccc1S(=O)(=O)NC[C@](C)(O)C(=O)O 1777263776 CXCNLTWYBTWQTC-LBPRGKRZSA-N 314.319 -0.319 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn(C)cn1)C2 1800450599 HFDNXYPWKVBDKK-GNXNZQSNSA-N 302.334 -0.744 30 20 DBED C#CC[C@H](NS(=O)(=O)N1CCC(C(=O)OC)CC1)C(=O)O 159578811 OGSUNVOXCURFFX-JTQLQIEISA-N 318.351 -0.818 30 20 DBED C/N=C(/NC[C@@H]1CN(C)CCN1C)N1CC[C@]2(CCOC2)C1 261954282 IHWQNPSNTGHXGX-ZBFHGGJFSA-N 309.458 -0.080 30 20 DBED N#C[C@H]1CN(C(=O)Cn2c(O)nc(=O)c3ccccc32)CCO1 264344030 CZXSZWDPZUOJMM-JTQLQIEISA-N 314.301 -0.147 30 20 DBED C=CCSCCNC(=O)CN1CCN(S(C)(=O)=O)CC1 268471954 QCYVUKLTHVBRJJ-UHFFFAOYSA-N 321.468 -0.401 30 20 DBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cnn(C)n1 285451117 ZIELYSSYPIGYFN-SNVBAGLBSA-N 312.337 -0.172 30 20 DBED C#C[C@H](C)NC(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 287278423 VHDORVTXCDOXKR-NSHDSACASA-N 305.338 -0.115 30 20 DBED COCCN1CCN(/C(O)=N/C[C@H]2CN(C)CCN2C)CC1 329380763 PYWSGTIYMYOFIK-AWEZNQCLSA-N 313.446 -0.590 30 20 DBED C[C@@H](C/N=C(/O)Cn1ccc(=O)n(C)c1=O)N1CCCCC1=O 329898992 FDWBFXHECAKJQV-NSHDSACASA-N 322.365 -0.096 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1CC[C@@H](C)[C@H]1CO 330372034 ABMCGSWIXWEKLU-VXGBXAGGSA-N 305.400 -0.204 30 20 DBED COCCN(CCC#N)S(=O)(=O)NCCN1CCOCC1 336897188 OFOOETKNKGGYTB-UHFFFAOYSA-N 320.415 -0.985 30 20 DBED CC(=O)C[C@@H]1COCCN1S(=O)(=O)N1CCO[C@H](C#N)C1 336946205 ODQWUVIOAWJDGE-VXGBXAGGSA-N 317.367 -0.865 30 20 DBED C[C@H]1COC(C)(C)CN1S(=O)(=O)N1CCO[C@H](C#N)C1 337159092 RJNKMTVIXKNNLE-WDEREUQCSA-N 303.384 -0.045 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCC(N)=O 339940125 SCSBUIHCGDVNOY-WCQYABFASA-N 316.361 -0.135 30 20 DBED C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)NCC#N)C[C@H]1C 349510118 OJTOYWYDHYOXPL-GHMZBOCLSA-N 323.440 -0.263 30 20 DBED C=CCNC(=O)NC(=O)CN1C[C@H](C)S(=O)(=O)[C@H](C)C1 352620483 DTFDLAPNYDKZPH-AOOOYVTPSA-N 303.384 -0.494 30 20 DBED C=C[C@H](CO)NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1O 356857268 RAZHMIIIWJDMJK-SECBINFHSA-N 314.363 -0.081 30 20 DBED CS(=O)(=O)[C@H]1CCCN(C(=O)CNc2ccc(C#N)cn2)C1 359721020 IMMAANZSEDHUBO-LBPRGKRZSA-N 322.390 0.401 30 20 DBED C=C(C)CN(C)C(=O)C(=O)N1CCN(c2cnn(C)c2)C(=O)C1 410687955 ZWXMJUBEOXLDPS-UHFFFAOYSA-N 319.365 -0.370 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N(C)CC[C@H](N)C(C)C)nn1 424553103 YXGGMQCFFZAAJK-ZDUSSCGKSA-N 322.413 -0.088 30 20 DBED C=CCN1C(=O)C(=O)N(Cc2nnnn2CC(F)(F)F)C1=O 428053759 LIQRQDQUEFTAKL-UHFFFAOYSA-N 318.215 -0.288 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)C[C@@H](C)n2cccn2)CC1 491783925 KGGFQTFOSBZIED-CQSZACIVSA-N 317.393 -0.272 30 20 DBED COc1cccc(OC)c1OC[C@H](O)CNCC(=O)NCC#N 570325282 GCGIKIOOZYJTOY-LLVKDONJSA-N 323.349 -0.327 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)C2(C(=O)NC)CCC2)CC1 592014463 ZXPDJSZYCCERTQ-UHFFFAOYSA-N 322.409 -0.651 30 20 DBED N#C[C@@H](CO)NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 597749454 KNNZIMCRJFZZAB-QMMMGPOBSA-N 320.261 -0.679 30 20 DBED CN(C)C(=O)Cn1nc2n(c1=O)CCN(CC1(CC#N)CC1)C2 602814804 IJRXNFOUDKCCHJ-UHFFFAOYSA-N 318.381 -0.358 30 20 DBED CNC(=O)CN1CCN(C(=O)Nc2ccn(CCC#N)n2)CC1 610767264 NZYMYWCEULIWJO-UHFFFAOYSA-N 319.369 -0.308 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)c2ccn3nnnc3c2)C1=O 614395081 XUXYEGGEPPYJJB-NSHDSACASA-N 300.322 -0.017 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCC[C@H](NS(C)(=O)=O)C1 730098087 UXMBGUFDDIXSCL-STQMWFEESA-N 313.423 -0.376 30 20 DBED C#CCOCCNC(=O)N[C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O 784550008 LWQBKWJXXCGIGM-DGCLKSJQSA-N 319.365 -0.137 30 20 DBED C#C[C@@H](NC(=O)C(=O)NCCC1(C)OCCO1)[C@@H]1CCCO1 806376595 XYMQHNYMWLHOPL-NEPJUHHUSA-N 310.350 -0.447 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCC[C@@H]2COC[C@@H]21)[C@H]1CCCO1 817838878 UAGWMYCDQRHKOT-ZOBORPQBSA-N 306.362 -0.079 30 20 DBED O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCO[C@H](C(=O)O)C1 819691551 PCAXYMLFBOMDNH-ZFEMDRMUSA-N 323.305 -0.785 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCCn1c(=O)ccn(C)c1=O 819943929 WCEZQNHSVFKTKI-ZDUSSCGKSA-N 318.377 -0.849 30 20 DBED CCCN1C[C@H](C(=O)NS(=O)(=O)CCCC#N)CC1=O 842329025 KYIBWUBXDCGZEE-SNVBAGLBSA-N 301.368 -0.005 30 20 DBED CN1CC[C@H](C(=O)NCCNc2ccc(C#N)cn2)S1(=O)=O 843763235 JHTDWRPBPJDRAF-LLVKDONJSA-N 323.378 -0.485 30 20 DBED CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)COc1cccc(C#N)c1 855476302 MVNWLZOJFMPKOT-QWHCGFSZSA-N 324.358 -0.135 30 20 DBED C=C[C@H](CO)NC(=O)CCOc1ccc(S(N)(=O)=O)cc1 856274923 IJASRNCUWDRFGR-SNVBAGLBSA-N 314.363 -0.234 30 20 DBED N#Cc1ccc(NCCNC(=O)NC[C@@H]2COCCN2)nc1 861556912 SEDGGUFVBGPIGT-GFCCVEGCSA-N 304.354 -0.347 30 20 DBED CN1C(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3C#N)C[C@@H]2C1=O 867766876 YYIHIMPELSNHPO-PHIMTYICSA-N 319.342 -0.206 30 20 DBED C=CCOC[C@@H](NC(=O)/C=C/CN1CCOCC1)C(=O)OC 867968967 JETQGWNPNKLWNJ-MUBLQREKSA-N 312.366 -0.265 30 20 DBED C#CCCCc1nnc(N2CCN(CC(=O)N(C)C)CC2)n1C 908538745 VOCPKKFWORVGDW-UHFFFAOYSA-N 318.425 -0.019 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCC(=O)N2C)CC1 929566921 AHUMILFHQOJXBY-GFCCVEGCSA-N 308.382 -0.946 30 20 DBED Cc1nnc(CC(=O)N2C[C@@H]3C[C@H]2CN3C(=O)[C@H](C)C#N)o1 937081664 NFGBFMYLCIBGEG-MIMYLULJSA-N 303.322 -0.108 30 20 DBED CN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CCN(C(=O)c2nc[nH]n2)C1 939080633 DVSPFWSLGQRWIP-SNVBAGLBSA-N 313.321 -0.009 30 20 DBED C#Cc1cncc(C(=O)N2C[C@@H](NC(=O)C(N)=O)[C@H](C)C2)c1 939699360 JZWJINDNYYQKRV-BXKDBHETSA-N 300.318 -0.875 30 20 DBED C[C@@H]1CN(CC#N)CC[C@H]1NC(=O)CN1CC(=O)N(C)C1=O 944134335 CTJRYVMEJYEJGT-GHMZBOCLSA-N 307.354 -0.769 30 20 DBED C#CCN1C[C@H]2CCN(C(=O)CCn3cnnn3)CC[C@H]2C1 946831270 QEFHKMGJWBFPPH-OKILXGFUSA-N 302.382 -0.133 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]1CNC(=O)c1ccoc1CC(N)=O 951844995 BBERKIOFFDLYCG-ZJUUUORDSA-N 318.333 -0.202 30 20 DBED NC(=O)CC(=O)N1CC[C@@H]2CCN(C(=O)C#CC3CC3)C[C@H]21 953343088 UYRSEUQDNBMJPB-QWHCGFSZSA-N 303.362 -0.275 30 20 DBED CN(C(=O)[C@]1(C)CNC(=O)C1)C1CN(C(=O)C#CC2CC2)C1 954804757 GKYSAPVQSZBQFG-INIZCTEOSA-N 303.362 -0.405 30 20 DBED C=CCCN1C[C@H](CNC(=O)c2ccoc2CC(N)=O)[C@@H](O)C1 958349177 FWKYLUIUADLIHP-AAEUAGOBSA-N 321.377 -0.094 30 20 DBED C=CCN1C[C@@H](O)[C@H](CNC(=O)c2nc(O)nc(O)c2OC)C1 958581829 UCMBHGCNSKYUGT-RKDXNWHRSA-N 324.337 -0.895 30 20 DBED CN(C)c1ccc(C(=O)NC[C@H]2CN(CC#N)C[C@@H]2O)nn1 958598650 LJMYUKCATRZORL-JQWIXIFHSA-N 304.354 -0.911 30 20 DBED N#Cc1c[nH]c(C(=O)N2C[C@@H]3CN(C(=O)CC(N)=O)C[C@@H]3C2)c1 961205412 BZZKEODZTOZJMU-PHIMTYICSA-N 315.333 -0.708 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1[C@@H]2CN(Cc3nnnn3C)C[C@@H]21 961828873 YUTGYOLZPXIWFT-JLDUMIBSSA-N 318.381 -0.652 30 20 DBED C#CCCN1C[C@H]2C(NC(=O)[C@@H]3CCc4nnnn4CC3)[C@@H]2C1 961851747 YOUOBGXLBIPALV-JHJVBQTASA-N 314.393 -0.305 30 20 DBED N#Cc1ccc(C(=O)N2CCC[C@@H]3[C@H]2CCN3C(=O)C(N)=O)[nH]1 962931836 MSFZMZXWCNNUKO-VXGBXAGGSA-N 315.333 -0.423 30 20 DBED CN(C(=O)C[C@@H]1NC(=O)NC1=O)C1CCC(NCC#N)CC1 963453697 JYGIKBCGGBBKIE-ILDUYXDCSA-N 307.354 -0.533 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)c1ncccc1O 964161312 ZWANIMIFEUDVPT-MNOVXSKESA-N 318.333 -0.096 30 20 DBED C[C@H](C#N)C(=O)N1CCOC2(CN(C(=O)c3cnnn3C)C2)C1 965475951 ZIDCIUBZYZZQNC-SNVBAGLBSA-N 318.337 -0.972 30 20 DBED C[C@H](NC(=O)c1ccc(C#N)[nH]1)C1CN([C@H]2CCNC2=O)C1 969515117 XDKAUGBCSTUWGV-ZANVPECISA-N 301.350 -0.175 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]2CCN(C(=O)C3(C(N)=O)CC3)C[C@@H]21 975942102 INMLPEALOOLAKF-SRVKXCTJSA-N 318.377 -0.139 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)[C@H]3CN(C)C[C@@H](C)O3)[C@H]2C1 976755900 MUEJXJBJKVEBOT-XADZXUCXSA-N 320.393 -0.562 30 20 DBED CC#CCN1C[C@H]2[C@H](CNC(=O)C3CC(=O)NC(=O)C3)[C@H]2C1 978867246 UHTCSFFLLWLTIX-XYYAHUGASA-N 303.362 -0.644 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CC[C@H]3CN(C(=O)C(N)=O)C[C@H]32)[nH]1 979908140 BDMWOMRUZXPWDB-JMJZKYOTSA-N 315.333 -0.662 30 20 DBED CN1CCN(CC(=O)N[C@@H]2CCC[C@@H](NCC#N)C2)CC1=O 981182641 SNRMXXVYVCNTNZ-CHWSQXEVSA-N 307.398 -0.699 30 20 DBED C[C@H](NC(=O)c1c[nH]c(C#N)c1)C1CCN(C(=O)C(N)=O)CC1 986976683 BOVOHVYLVMOHCK-VIFPVBQESA-N 317.349 -0.271 30 20 DBED N#Cc1ccc(C(=O)N2CCCCC[C@@H](NC(=O)C(N)=O)C2)[nH]1 987004183 VYTLVRRNPVHMCT-LLVKDONJSA-N 317.349 -0.127 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2CCNC(=O)C2)C1 990810315 JIUDEKZVDSXDFO-UHTWSYAYSA-N 321.377 -0.569 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CC(=O)N(C)C2)C1 993781685 MYBSJCVOQVVSOY-RTXFEEFZSA-N 321.377 -0.617 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1CNC(=O)[C@H]1CCC(=O)N1 993830453 PJKRQXRHMHBHLJ-MRVWCRGKSA-N 317.389 -0.111 30 20 DBED Cn1nccc1C(=O)NCc1cn([C@H]2CCN(CC#N)C2)nn1 999972614 UVGSXGDGZFKEBT-LBPRGKRZSA-N 314.353 -0.288 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](NCc2nnnn2C)C1 1000230322 BVCXCNRMYRPVQU-UPJWGTAASA-N 320.397 -0.118 30 20 DBED COc1cc(C(=O)NCC2CN(C(=O)[C@H](C)C#N)C2)nn1C 1003411561 ARNKOTWPFIGQGC-SECBINFHSA-N 305.338 -0.223 30 20 DBED CC#CCN1CCC(NC(=O)C2CC3(C2)NC(=O)NC3=O)CC1 1003782779 PZPHPSOFYCJHRJ-UHFFFAOYSA-N 318.377 -0.422 30 20 DBED C[C@H](NC(=O)c1ccc(C#N)[nH]1)C1CN(C(=O)c2nc[nH]n2)C1 1005923185 CXWXAHXWCHMUPS-QMMMGPOBSA-N 313.321 -0.105 30 20 DBED CC(=O)N1CCOC[C@H]1C(=O)N(C)C1CCN(CC#N)CC1 1006428999 OHJDNNFBHBBJNL-AWEZNQCLSA-N 308.382 -0.320 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H](O)C(C)C)CC1 1011082338 ASUPUPJSUFSFPO-LSDHHAIUSA-N 321.421 -0.228 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C(=O)c2cc(C(N)=O)c[nH]2)CC1 1012237154 ZSKIZUQLJIDCSH-VIFPVBQESA-N 303.322 -0.442 30 20 DBED C[C@@H]1C[C@H](NC(=O)C2CS(=O)(=O)C2)CN1C(=O)C#CC1CC1 1012590092 IFAUUNFLFOPEGY-MFKMUULPSA-N 324.402 -0.450 30 20 DBED CC(=O)N1CC(C(=O)NC2[C@@H]3CN(C(=O)[C@@H](C)C#N)C[C@@H]23)C1 1013010606 PRSGVBBVPLLVSA-XXILOJSOSA-N 304.350 -0.803 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)c3[nH]nnc3C)C2)C1=O 1030777429 XXPRPRUPKQXAOM-LLVKDONJSA-N 304.354 -0.686 30 20 DBED CN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CCN([C@@H]2CCNC2=O)C1 1033017326 HFVHXPHBVCIWSP-WCQYABFASA-N 301.350 -0.079 30 20 DBED C=CCN1CCO[C@@H](CNC(=O)c2cncc(C(N)=O)c2)C1 1035613010 GBYJGKUOILCAOJ-ZDUSSCGKSA-N 304.350 -0.203 30 20 DBED C#CCN1CCC(C(=O)N2CC[C@H](NCC(N)=O)[C@@H](C)C2)CC1 1036309787 GXWSIZJYTSWYJZ-ZFWWWQNUSA-N 320.437 -0.357 30 20 DBED CC#CCN1CC[C@@H]2CN(C(=O)C3CC(=O)NC(=O)C3)CC[C@H]21 1036842354 NUQXTDRUNFGEGC-TZMCWYRMSA-N 317.389 -0.015 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H]2CCN2[C@@H]2CCCNC2=O)c1 1038139867 LVOFOAMJZRERKK-DGCLKSJQSA-N 301.350 -0.031 30 20 DBED C=C(C)CCC(=O)NC[C@]1(O)CCN(C(=O)CC(=O)NC)C1 1039986755 GQVVVFBTWCUZPV-OAHLLOKOSA-N 311.382 -0.442 30 20 DBED N#Cc1cnccc1N1C[C@@H]2CCN(C(=O)Cn3cnnn3)[C@@H]2C1 1040512744 LNNTUMAKBPVXDF-SMDDNHRTSA-N 324.348 -0.323 30 20 DBED C#CCNC(=O)CC(=O)N1CC(O)(CNC(=O)CCC(C)C)C1 1041376528 SHAJCCHCTAZNRR-UHFFFAOYSA-N 323.393 -0.748 30 20 DBED CC#CCCCC(=O)N1CC(O)(CNC(=O)CN(C)C(C)=O)C1 1041577272 VVHPBENEVKIAPP-UHFFFAOYSA-N 323.393 -0.652 30 20 DBED C=CC(C)(C)CC(=O)N1CC(O)(CNC(=O)c2nc[nH]n2)C1 1044781659 DZRBAYYQVHDGJO-UHFFFAOYSA-N 307.354 -0.290 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)[C@@H](F)C(C)C)C1 1044958510 NVABEYRSYQJQEF-LBPRGKRZSA-N 302.346 -0.127 30 20 DBED N#CCN1CC[C@H](N2CCN(C(=O)c3cnnc(O)c3)CC2)C1 1046036803 GIGHMGDSXMHJLV-ZDUSSCGKSA-N 316.365 -0.462 30 20 DBED C=CCN1CC[C@H](N2CCN(C(=O)[C@@H]3CCNC3=O)CC2)C1 1046049640 UAXIAVZSIUUGCF-UONOGXRCSA-N 306.410 -0.473 30 20 DBED N#Cc1cccnc1N[C@H]1C[C@H](CNC(=O)[C@H]2CNC(=O)N2)C1 1047009448 MACFNUBFZUUJAL-YUSALJHKSA-N 314.349 -0.059 30 20 DBED C#CCN1C[C@H]2C[C@H](NC(=O)CN3CCNC(=O)C3)C[C@H]1C2 1047123208 RXFCYQJMGKHAEG-MELADBBJSA-N 304.394 -0.980 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3nonc3c2)C1 1047511315 VHUDZCBAMJUKIS-KBPBESRZSA-N 300.318 -0.027 30 20 DBED CC(C)C#CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CNC(N)=O)C2 1047513280 HKTQPQGWRKAHGU-XQQFMLRXSA-N 320.393 -0.190 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCOC2)C1 1048499981 GMYXVWCJDBYDIE-AGIUHOORSA-N 312.366 -0.744 30 20 DBED N#Cc1nccnc1N1CC[C@@H]2CN(C(=O)C(N)=O)C[C@@H]2C1 1049623659 OCCDVXBALXNVIE-ZJUUUORDSA-N 300.322 -0.882 30 20 DBED Cc1cnc2nc(C(=O)NC[C@H]3COCCN3CC#N)nn2c1 1050973712 JECJMLBNAXEMPD-NSHDSACASA-N 315.337 -0.613 30 20 DBED C=C(C)CN1CCOC[C@@H]1CNC(=O)c1cn(C)c(=O)nc1O 1051242081 FSWXRBVYOGYACA-NSHDSACASA-N 322.365 -0.507 30 20 DBED C#CCN1CCN([C@H]2CCN(C(=O)C3(C(N)=O)CC3)C2)CC1 1052073578 JHJVCIJKMQIMNQ-ZDUSSCGKSA-N 304.394 -0.896 30 20 DBED C#CCCN1CCN([C@H]2CCN(C(=O)C3(C(N)=O)CC3)C2)CC1 1052074073 SVRAEIDVGOMHPX-AWEZNQCLSA-N 318.421 -0.506 30 20 DBED C=CCN1CC2(C[C@@H](NC(=O)[C@H]3COCCN3CC)CO2)C1 1053853555 ISDQCAJKLSFQTI-ZIAGYGMSSA-N 309.410 -0.147 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)CN3CCCCCC3=O)CO2)C1 1054002461 ZDBCNXZIBBWWTJ-ZDUSSCGKSA-N 320.393 -0.128 30 20 DBED C=CCCN1CC2(C[C@@H](NC(=O)C[C@@H]3CC(=O)NC3=O)CO2)C1 1054026162 RCFUGTSUZBRYSA-VXGBXAGGSA-N 321.377 -0.425 30 20 DBED Cn1ncc(C(=O)NC2[C@H]3CN(c4ccnc(C#N)n4)C[C@H]23)c1N 1056176178 JWWIJVXFCAYLOH-UWVGGRQHSA-N 324.348 -0.471 30 20 DBED COC[C@H](C)C(=O)NCCN(CCO)C(=O)CSCC#N 1057026774 LHKFYGYYHTVMAY-NSHDSACASA-N 317.411 -0.537 30 20 DBED N#Cc1cncc(N2CCCN(C(=O)[C@@H]3CCNC3=O)CC2)n1 1057204592 FNXCWZAPRWDCGZ-GFCCVEGCSA-N 314.349 -0.477 30 20 DBED CC#CCCCC(=O)NCCN(CCO)C(=O)c1ncn(C)n1 1057498933 POQYWYXQSMESHY-UHFFFAOYSA-N 321.381 -0.441 30 20 DBED O=C(NCCN(CCO)C(=O)C#CC1CC1)[C@@H]1[C@H]2COC[C@H]21 1057537739 MCGCCYIHHYERHO-NHAGDIPZSA-N 306.362 -0.771 30 20 DBED C=C(C)CCC(=O)N(CCO)CCNC(=O)CNC(=O)OC 1057807773 QHWGDHOVTPIOJO-UHFFFAOYSA-N 315.370 -0.364 30 20 DBED N#Cc1ccc(N2CC[C@H](NC(=O)[C@H]3COC(=O)N3)C2)cn1 1058349983 AUQXJMWOSSPZGY-CMPLNLGQSA-N 301.306 -0.243 30 20 DBED C=C[C@H](CC)CC(=O)N(CCO)CCNC(=O)Cn1nccn1 1058468378 ICIXUVBPXMBVLS-CYBMUJFWSA-N 323.397 -0.183 30 20 DBED C[C@@H](C(=O)N1CC[C@H](Nc2cnc(C#N)cn2)C1)S(C)(=O)=O 1059109397 KJOHVSJNSFHHHQ-UWVGGRQHSA-N 323.378 -0.206 30 20 DBED Cc1[nH]nc(C(=O)N[C@H]2C[C@H](N=c3cc[nH]c(C#N)n3)C2)c1O 1059189234 YWRVQYDMVMMIEB-KYZUINATSA-N 313.321 -0.120 30 20 DBED C[C@H](C#N)C(=O)NCC[C@H]1CCN(C(=O)c2cnn(C)n2)C1 1059931398 VOMXJHKTRYWZQQ-MNOVXSKESA-N 304.354 -0.057 30 20 DBED C#Cc1ccc(C(=O)NCC[C@H]2CCN(C(=O)C(N)=O)C2)nc1 1060271610 REAHCXIWCLBPNF-LBPRGKRZSA-N 314.345 -0.483 30 20 DBED C=CCCOCC(=O)NC[C@@H]1COCCN1C(=O)COCC 1061666439 KPSSQFISZZSBPA-CYBMUJFWSA-N 314.382 -0.041 30 20 DBED C=CCCC(=O)N1CCOC[C@H]1CNC(=O)[C@@]1(C)CNC(=O)C1 1061716450 IZIQIZKGOCBUOR-MLGOLLRUSA-N 323.393 -0.178 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)c1cncnc1 1061846207 BVBICAWEQUAPHA-PWSUYJOCSA-N 303.322 -0.407 30 20 DBED C=CCOCC(=O)NC1(CNC(=O)CS(C)(=O)=O)CCC1 1062655577 KTLVSRMLQNHUOQ-UHFFFAOYSA-N 318.395 -0.611 30 20 DBED Cn1ncc(C(=O)N[C@H]2[C@H]3C[C@H]2N(c2cnc(C#N)cn2)C3)c1N 1064245283 MTNSIUMXPWQWPL-KDDOJWQBSA-N 324.348 -0.329 30 20 DBED C=CCOCC(=O)N1CCO[C@H](CNC(=O)CC(C)(C)O)C1 1064971186 WPCPSAFLKMKOBX-GFCCVEGCSA-N 314.382 -0.306 30 20 DBED CC(C)C#CC(=O)N1CCO[C@H](CNC(=O)c2ncn(C)n2)C1 1065129042 NAKGBGRVDCDRJJ-GFCCVEGCSA-N 319.365 -0.568 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@H](CNC(=O)C2(CN(C)C)CC2)C1 1065557984 XMLNCNMLBFZGMA-QWHCGFSZSA-N 322.409 -0.169 30 20 DBED Cc1cc(C#N)nc(N[C@@H](C)[C@@H]2CCN(C(=O)C(N)=O)C2)n1 1065766110 DONJSMQUNXFBGA-VHSXEESVSA-N 302.338 -0.209 30 20 DBED N#Cc1cnc(NC[C@H]2CN(C(=O)CC(N)=O)CCO2)c(F)c1 1066606375 CYHJWLUXDWJOQG-JTQLQIEISA-N 321.312 -0.393 30 20 DBED N#Cc1cnc(N2CC[C@]3(CCCN(C(=O)C(N)=O)C3)C2)cn1 1066869676 GLEWIHJARNAGEL-OAHLLOKOSA-N 314.349 -0.348 30 20 DBED C[C@H]1CN(C(=O)c2nccnc2N)C[C@@H]1N=c1cc[nH]c(C#N)n1 1067057747 NMXBAWPKHDFQBL-UWVGGRQHSA-N 324.348 -0.285 30 20 DBED N#Cc1cncc(N2C[C@H](CNC(=O)c3cnco3)[C@@H](O)C2)n1 1067689167 RFCCIOZTFYBOIZ-ONGXEEELSA-N 314.305 -0.437 30 20 DBED C#CCO[C@H](C)C(=O)N1CC2(C[C@@H](NC(=O)COC)CO2)C1 1068656468 PDGRDZLYLXEHLD-VXGBXAGGSA-N 310.350 -0.843 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCCN(C(=O)[C@H](CC)OC)C1 1070520078 GLAZFRWLINPYRQ-OLZOCXBDSA-N 323.393 -0.342 30 20 DBED CNC(=O)CN1CC[C@]2(C1)CN(C(=O)C#CC1CC1)C[C@@H](C)O2 1071164522 OXYHTFADAXQIFP-DYVFJYSZSA-N 319.405 -0.162 30 20 DBED C#CCN1CC[C@]2(C1)CN(C(=O)c1cnnn1C)C[C@@H](C)O2 1071167231 VPDMMUNXIMNANS-DOMZBBRYSA-N 303.366 -0.246 30 20 DBED C#CCOCCC(=O)N1C[C@H](C)[C@@H](NC(=O)Cc2ncc[nH]2)C1 1072102379 UWXWCMZWVGALKL-STQMWFEESA-N 318.377 -0.045 30 20 DBED COCCC(=O)N1CCN(C2CN(C(=O)C#CC3CC3)C2)CC1 1073525706 YPLLLUYPEPUXIQ-UHFFFAOYSA-N 319.405 -0.209 30 20 DBED COc1c(C(=O)NC[C@H]2CN(CC#N)CCCO2)cnn1C 1073871037 CVKVRIJCOIUFTO-NSHDSACASA-N 307.354 -0.227 30 20 DBED CCCS(=O)(=O)CC(=O)NCC[C@H](C)NC(=O)[C@H](C)C#N 1076625398 IULJWMBNWWKXOF-MNOVXSKESA-N 317.411 -0.018 30 20 DBED CCS(=O)(=O)CC(=O)NCC[C@H](C)NC(=O)[C@H](C)C#N 1076921314 WHSDRQFUDKQSSM-ZJUUUORDSA-N 303.384 -0.408 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCCN2C(=O)CC)C1 1077045067 VFNMUWYUMKMBIX-MGPQQGTHSA-N 307.394 -0.428 30 20 DBED Cn1nc(C(=O)N[C@@H]2CN(CC#N)C[C@H]2O)c2c1CCCC2 1077708684 SWAGJCZMJNEWFH-DGCLKSJQSA-N 303.366 -0.403 30 20 DBED CC#CCCCC(=O)NCC[C@H](C)NC(=O)Cn1cnnn1 1077899911 CPZWLDGPHDWMSQ-LBPRGKRZSA-N 306.370 -0.122 30 20 DBED C#CCNC(=O)CC(=O)N1CC(N(CC)C(=O)[C@@H]2CCOC2)C1 1079436354 LSARUDABQPWMRX-GFCCVEGCSA-N 321.377 -0.778 30 20 DBED C=CCOCC(=O)N1CC(N(CC)C(=O)[C@@H]2CCNC(=O)C2)C1 1079604061 GYWAYAHJMSIBEA-GFCCVEGCSA-N 323.393 -0.226 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 1079690787 HIZGKKSKEDXIDZ-NQBHXWOUSA-N 316.365 -0.277 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)C2(CF)CC2)C[C@@H]1O 1081344748 URMBLHYPVNGRLH-NEPJUHHUSA-N 314.357 -0.126 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H]1CN(C(=O)/C(C)=C\C)C[C@@H]1O 1081418759 CHRFBASARYPJJN-JUPNIWIKSA-N 321.377 -0.972 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)Cn2nccn2)C[C@@H]1O 1081439253 NUTQFHUDAKPUAA-OLZOCXBDSA-N 319.365 -0.983 30 20 DBED CNC(=O)[C@@H](C)N1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@H](OC)C1 1081563260 GNLWUZIDURKZKA-OASPWFOLSA-N 319.365 -0.550 30 20 DBED CC#CCN1C[C@@H](NC(=O)CN2CCCNC2=O)[C@H](OC)C1 1081891975 DZTKYQCQZPYLSI-CHWSQXEVSA-N 308.382 -0.760 30 20 DBED CC(C)C#CC(=O)N1CCCC[C@H]1CNC(=O)Cn1ncnn1 1082062311 LJWMNJOXMUKNQJ-ZDUSSCGKSA-N 318.381 -0.170 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCc3nnn(C)c3C2)C1 1083730135 PIRPGBIINWFMIY-QKCSRTOESA-N 305.382 -0.733 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)C2CCN(C(C)=O)CC2)C1 1084041799 KNWALVJMKREGHK-CABCVRRESA-N 309.410 -0.018 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)Cn2c(C)csc2=O)C1 1084048789 KJIJTVBQNUMNHZ-NEPJUHHUSA-N 311.407 -0.044 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)C[C@H]2C(=O)Nc3ccccc32)C1 1084113641 RAVQGDIXJQNZIM-YUELXQCFSA-N 313.357 -0.093 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)[C@H]3C[C@H](OC)CN3C(C)=O)[C@@H]2C1 1084550043 NPYNTVJCBWRYJY-QKPAOTATSA-N 319.405 -0.212 30 20 DBED C#CCN[C@@H]1CCCC[C@H]1NC(=O)CN1C(=O)CN(C)C1=O 1085416405 VZLRITCIRQXGPE-VXGBXAGGSA-N 306.366 -0.469 30 20 DBED Cn1nnc2c1C[C@H](C(=O)NC[C@H]1C[C@H](NCC#N)C1)CC2 1086458537 PCJHZXFAHYGQFR-IJLUTSLNSA-N 302.382 -0.072 30 20 DBED N#CCN[C@@H]1CC[C@H](CNC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 1086765402 NEARKUUDNOTAJJ-LOWVWBTDSA-N 316.365 -0.236 30 20 DBED N#CCN[C@H]1CCCCCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 1088428692 ZFRRVPMDZAKUOV-NWDGAFQWSA-N 314.411 -0.438 30 20 DBED C=C(C)CCN1CC[C@H](NC(=O)C2CS(=O)(=O)C2)[C@H](O)C1 1090291827 JYDIJCYQZDULNP-QWHCGFSZSA-N 316.423 -0.451 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2c(C)nn(C)c2OC)[C@H](O)C1 1090617918 YLILJRQYTORYMH-VXGBXAGGSA-N 306.366 -0.465 30 20 DBED C=CCN1CC[C@H](NC(=O)c2cnn(CCN(C)C)c2)[C@H](O)C1 1090636042 BXKHFLZFYRIZJN-LSDHHAIUSA-N 321.425 -0.204 30 20 DBED N#CCSCC(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1091071079 UGAWBZWXSUDCDE-MNOVXSKESA-N 318.362 -0.729 30 20 DBED COCc1cc(N2C[C@H](O)[C@H](NC(=O)C#CC3CC3)C2)ncn1 1091098900 RHWOTAXKWRWZEC-KGLIPLIRSA-N 316.361 -0.298 30 20 DBED CC(C)(C(N)=O)C(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@@H]1O 1091157074 DTYVSYLSLLOLIC-MNOVXSKESA-N 317.349 -0.870 30 20 DBED N#Cc1cnc(N[C@H]2C[C@@H](CNC(=O)CNC(N)=O)C2)cn1 1091313238 BJDNGJUNDSOYNM-DTORHVGOSA-N 303.326 -0.677 30 20 DBED N#Cc1cncc(NC2CC(CNC(=O)Cn3ncnn3)C2)n1 1092240691 DLAZZYNBTKMUHY-UHFFFAOYSA-N 313.325 -0.658 30 20 DBED Cc1nsc(NCCNC(=O)[C@@H]2CN(C)C(=O)N2)c1C#N 1094060274 AAMZFDWXGDLUIV-VIFPVBQESA-N 308.367 -0.125 30 20 DBED CN1CCC[C@H]1C(=O)NCc1cn(C2CN(CC#N)C2)nn1 1094278633 LWKMCEZBMASMMA-ZDUSSCGKSA-N 303.370 -0.631 30 20 DBED C=CCCN1CC(n2cc(CNC(=O)[C@@H]3CCC(=O)N3)nn2)C1 1094335689 LYQXIAWNHYULEP-ZDUSSCGKSA-N 318.381 -0.394 30 20 DBED CC(=O)N1CC(C(=O)NCCCNc2ccc(C#N)nn2)C1 1094410368 VKRBAXQBWGCKBY-UHFFFAOYSA-N 302.338 -0.255 30 20 DBED CC#CCN1CC(N2C[C@H](NC(=O)c3cnccn3)CC2=O)C1 1094699937 ZOLCSYBCAVUJFW-GFCCVEGCSA-N 313.361 -0.485 30 20 DBED CNC(=O)NCC(=O)N1CC[C@H](N(C)c2ccncc2C#N)C1 1095157184 QSOLEDQPQVHMKK-LBPRGKRZSA-N 316.365 -0.081 30 20 DBED C[C@H](CC(=O)NCCCN(C)c1nccnc1C#N)NC(N)=O 1095640706 ZMAQONJNBASKNQ-SNVBAGLBSA-N 319.369 -0.262 30 20 DBED CCCC(=O)NCC(=O)N[C@@H]1CCN(c2ccc(C#N)nn2)C1 1096327485 MUNCTEWXARLJIY-GFCCVEGCSA-N 316.365 -0.041 30 20 DBED N#Cc1cncc(N[C@@H]2CCC[C@@H](NC(=O)CNC(N)=O)C2)n1 1098590099 QNMGKJMPINMCHD-NXEZZACHSA-N 317.353 -0.144 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)Cn1nccn1)C[C@@H](C)O2 1098603587 RHMXXWKCFREVOB-CQSZACIVSA-N 317.393 -0.007 30 20 DBED C#CCNCc1cn([C@@H]2CCN(C(=O)c3cncn3C)C2)nn1 1098688803 YXZMELUIVUBLQZ-CYBMUJFWSA-N 313.365 -0.178 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)CC(F)(F)F)[C@@H](O)C1 1099712918 RDGHFANBEJPNSL-ZJUUUORDSA-N 321.299 -0.760 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(Cc2cnnn2CC)C[C@@H]1O 1099740635 HLCRXAHYLIAWIV-KGLIPLIRSA-N 323.397 -0.448 30 20 DBED CC#CCCCC(=O)N[C@H]1CCN(CC(=O)N(C)C)C[C@H]1O 1099962480 PCFOLEJKOXKLPZ-UONOGXRCSA-N 309.410 -0.180 30 20 DBED C=CCCCC(=O)N[C@@H]1CCN(CC(=O)NCC#N)C[C@H]1O 1099976645 PORUZGBBOGFTCC-CHWSQXEVSA-N 308.382 -0.466 30 20 DBED N#CCNC(=O)CN1CC[C@@H](NC(=O)Cc2ccco2)[C@H](O)C1 1100042317 XQGSMKUIUCYJJW-CHWSQXEVSA-N 320.349 -0.987 30 20 DBED CC(=O)N1CC(C(=O)NCCN(C)c2nc(C)cc(C#N)n2)C1 1100077678 RUAFNSWGBZJCQQ-UHFFFAOYSA-N 316.365 -0.313 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)[C@H](C)NC(=O)CC)C1 1100355877 INCCYEMAIHRWBG-HIFPTAJRSA-N 322.409 -0.865 30 20 DBED C=CCNC(=O)[C@H](C)NC1CC(CNC(=O)C(C)(C)C(N)=O)C1 1100426538 NDUMRBZKFVHDKO-UNXYVOJBSA-N 324.425 -0.327 30 20 DBED CNC(=O)CN1CC2(C[C@H](NC(=O)[C@H](C)C#N)c3nccn32)C1 1101618020 YZFGLCIPAOXDTI-MNOVXSKESA-N 316.365 -0.639 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1CNC(=O)CCn1ncn(C)c1=O 1102185829 WCRDMXWPLLNOTM-VXGBXAGGSA-N 306.370 -0.820 30 20 DBED CC[C@H](CNC(=O)[C@@H]1CN(C)CCO1)Nc1cncc(C#N)n1 1103032465 JVBDPMKJTRSCTP-YPMHNXCESA-N 318.381 -0.014 30 20 DBED CC[C@@H](CNC(=O)COCCN(C)C)N=c1cc[nH]c(C#N)n1 1103149361 WEKUIAIIAUOBOH-LBPRGKRZSA-N 320.397 -0.345 30 20 DBED N#Cc1cnccc1N1CCO[C@@H](CNC(=O)CC(N)=O)C1 1104305230 KAAYRCXOYHYHSD-NSHDSACASA-N 303.322 -0.850 30 20 DBED C#CCNCc1cn(C2CN(C(=O)CCOCCOC)C2)nn1 1105380796 FZROYTIWSYKWLP-UHFFFAOYSA-N 321.381 -0.563 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H](O)CN=c1cc[nH]cc1C#N 1105970862 OANFOBGGWZVIMI-AAEUAGOBSA-N 302.334 -0.698 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)CC(C)(C)O)C[C@H]1C 1106070942 LAUNADQJLLPFEU-CHWSQXEVSA-N 309.410 -0.419 30 20 DBED N#Cc1cnc(NC[C@H](O)CNC(=O)[C@@]2(F)CCOC2)cn1 1106071751 ALJJPGYBWIEOPE-GXFFZTMASA-N 309.301 -0.634 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)CC2=CCOCC2)nn1 1106078386 BIIXFRMGKVZRME-CYBMUJFWSA-N 317.349 -0.026 30 20 DBED COC[C@H](OC)C(=O)NC[C@@H](O)CNc1nc(C)ccc1C#N 1106087085 MMOQDGFXERLVEJ-STQMWFEESA-N 322.365 -0.188 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)c2cn(CC(N)=O)nn2)C[C@H]1C 1107034381 YHXPYBHUJPWTOW-VXGBXAGGSA-N 318.381 -0.916 30 20 DBED CN1CC[C@@H](C(=O)NC/C=C/CNc2ccc(C#N)nn2)C1=O 1107459931 KMAZXHYDIVMZBC-JDGPPOGSSA-N 314.349 -0.089 30 20 DBED COCC#CCN1CCO[C@](C)(CNC(=O)c2ccnn2C)C1 1107798694 SUGAIBSOEIBRIZ-MRXNPFEDSA-N 320.393 -0.109 30 20 DBED COCC#CCN1CCO[C@@](C)(CNC(=O)c2ncn(C)n2)C1 1107920116 MLYSCMZXVBWVKP-HNNXBMFYSA-N 321.381 -0.714 30 20 DBED C[C@]1(CNC(=O)[C@@H]2CCS(=O)(=O)C2)CN(CC#N)CCO1 1108057748 KGWZVYMMVMRDDC-YPMHNXCESA-N 315.395 -0.848 30 20 DBED CC[C@@H](F)C(=O)NC[C@]1(C)CN(CC(=O)NCC#N)CCO1 1108121921 JBRKLZSAKNLKLC-BXUZGUMPSA-N 314.361 -0.419 30 20 DBED C=CCOCC(=O)N1CCN(CCC)[C@H]2CS(=O)(=O)C[C@H]21 1108465776 WTXHFWVKZDAOKY-QWHCGFSZSA-N 316.423 -0.091 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)C3(C(=O)NC)CC3)CC2=O)C1 1108580124 IGCAOMZREZUJEN-LLVKDONJSA-N 320.393 -0.900 30 20 DBED C[C@@H](CN(C)c1ccnc(C#N)n1)NC(=O)[C@H]1CN(C)C(=O)N1 1109194747 VIFQBYUWIZBCLG-VHSXEESVSA-N 317.353 -0.687 30 20 DBED Cc1cc(N2CC[C@@](O)(CNC(=O)[C@H](C)C#N)C2)nc(CO)n1 1111041485 ITZJMYRQZFDEOP-MEBBXXQBSA-N 319.365 -0.506 30 20 DBED CC(C)(O)CC(=O)NC[C@@]1(O)CCN(c2cnc(C#N)cn2)C1 1111065618 GYJSQQIBYQGSCS-HNNXBMFYSA-N 319.365 -0.433 30 20 DBED CO[C@H](C)C(=O)N[C@]1(CO)CCCN(c2ccnc(C#N)n2)C1 1111336319 MXGVLQHNMKDILD-IAQYHMDHSA-N 319.365 -0.169 30 20 DBED COC[C@@H](OC)C(=O)N(CCO)CCN=c1cc[nH]cc1C#N 1111556983 CEYZTGRCAOWPHI-CQSZACIVSA-N 322.365 -0.731 30 20 DBED CC(=O)NCC(=O)N1CCO[C@@H](CNc2nccnc2C#N)C1 1111929336 DDHSYDSKPHKDPD-NSHDSACASA-N 318.337 -0.876 30 20 DBED C=CCOCCN1CCN(C(=O)CCn2ncn(C)c2=O)CC1 1113144312 FJAXJHSOSJLBTK-UHFFFAOYSA-N 323.397 -0.681 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCNC(=O)CC2)CC1 1113154022 QXEVBALBOPCHNC-CYBMUJFWSA-N 322.409 -0.651 30 20 DBED C#CCOCCC(=O)N[C@H](C)[C@H](C)Nc1nccn2nnnc12 1113166493 VFQITCFJHLTKRF-MNOVXSKESA-N 317.353 -0.136 30 20 DBED C[C@@H](NC(=O)Cn1ncnn1)[C@@H](C)Nc1ccc(C#N)cn1 1113192854 CETXBKCHJUTDOH-NXEZZACHSA-N 300.326 -0.055 30 20 DBED C[C@H](N=c1cc[nH]c(C#N)n1)[C@H](C)NC(=O)c1cncnc1O 1113198379 CVOMYHRIGPTELA-IUCAKERBSA-N 313.321 -0.115 30 20 DBED CNC(=O)NCC(=O)N[C@@H](C)[C@H](C)Nc1cncc(C#N)n1 1113349851 KPGUBZTUSCWEGL-IUCAKERBSA-N 305.342 -0.418 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)c2ccncn2)CC1 1113442667 ASUJCCQTUVNUEV-GFCCVEGCSA-N 301.350 -0.628 30 20 DBED COCCCCC(=O)NC1[C@H]2CN(CC(=O)NCC#N)C[C@H]12 1114013488 XRGAPQLVGSHKFX-RYUDHWBXSA-N 308.382 -0.511 30 20 DBED C=C1CC(C)(C(=O)NC2[C@@H]3CN([C@H](C)C(=O)NC(N)=O)C[C@@H]23)C1 1114806562 YDHYAOMPDMOHAM-GMTAPVOTSA-N 320.393 -0.028 30 20 DBED C=CCCCN1C[C@H]2[C@H](NC(=O)CS(=O)(=O)NC)[C@H]2C1 1115253402 AKBANIUVMJEFIN-PJXYFTJBSA-N 301.412 -0.452 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@H]1[C@@H]2CN(Cc3nnn(C)n3)C[C@@H]21 1115333307 WDVILKPKCBRCOZ-MEWQQHAOSA-N 306.370 -0.652 30 20 DBED COC[C@@H](C)C(=O)NCCOCCCN=c1cc[nH]c(C#N)n1 1115393704 MWBFQXXVSOIGTN-GFCCVEGCSA-N 321.381 -0.013 30 20 DBED N#CCn1cc(NC(=O)C(=O)N[C@H]2CCN(C3CC3)C2)cn1 1116332417 UKCKHMFXAWNDOY-JTQLQIEISA-N 302.338 -0.302 30 20 DBED N#CCN1CCC(NC(=O)C(=O)NCCc2cscn2)CC1 1116992380 QKUZMUNDIMNIRW-UHFFFAOYSA-N 321.406 -0.094 30 20 DBED C#CCSCCNC(=O)C(=O)NCC1([S@](C)=O)CCC1 1117412132 MGTLBZDOXVBZSF-FQEVSTJZSA-N 316.448 -0.114 30 20 DBED CS(=O)(=O)CCNN=Cc1cn(C[C@H]2CCCO2)nn1 1119072767 PWQZGHOUYXLJPM-LLVKDONJSA-N 301.372 -0.575 30 20 DBED Cc1cc(=N[C@H](C)CN(C)C(=O)Cn2ncnn2)c(C#N)c[nH]1 1120128890 SHTNDONMBDPHTA-LLVKDONJSA-N 314.353 -0.371 30 20 DBED C[C@H](CN(C)C(=O)c1nnn(C)n1)Nc1nccnc1C#N 1120502490 QDLJTBPJLQJTJK-MRVPVSSYSA-N 301.314 -0.556 30 20 DBED Cc1n[nH]cc1C(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1 1122291983 BYLFOQAPKUNIPW-VIFPVBQESA-N 301.310 -0.996 30 20 DBED COCCCNC(=O)[C@H](C#N)C(=O)CCn1cnccc1=O 1122507294 WVKRNCVZMDAUBO-LLVKDONJSA-N 306.322 -0.505 30 20 DBED C[C@H]1CCN(CC(=O)NC[C@@H](CO)Nc2cnc(C#N)cn2)C1 1122528497 VDVMKRNWZAFPEU-AAEUAGOBSA-N 318.381 -0.421 30 20 DBED CNC(=O)CC(=O)N1CC[C@H](Nc2cnc(C#N)cn2)[C@H]1C 1122971110 LQHRTCNUQYBZLN-KOLCDFICSA-N 302.338 -0.114 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)[C@H]1CCCN1C 1124208204 VZHDPMSQNLXCQI-VXGBXAGGSA-N 318.381 -0.904 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)c1cncnc1 1126119524 VWWMISMTIHGIAH-JTQLQIEISA-N 320.353 -0.804 30 20 DBED C[C@H](NC(=O)CNCCNC(=O)C#CC(C)(C)C)C(=O)N(C)C 1126907058 DWFUBRBMRNAOBK-LBPRGKRZSA-N 324.425 -0.665 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)c1cn2c(n1)CCC2 1127647961 CMGOSTHDSAJFLM-LLVKDONJSA-N 305.382 -0.161 30 20 DBED C=CCn1cccc1C(=O)NCCN[C@H]1CCC(=O)NC1=O 1129502782 NOSGDYFZGFIFLX-NSHDSACASA-N 304.350 -0.201 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCNCC(=O)NC(C)(C)C 1129775328 MFZFWVVWXHANNN-ZDUSSCGKSA-N 308.426 -0.296 30 20 DBED C[C@@H](CC(N)=O)C(=O)N1C[C@@H](NCC#N)[C@H](c2cn(C)cn2)C1 1130639580 KRYJHHADVYZTNU-GMXVVIOVSA-N 318.381 -0.661 30 20 DBED C#CCCN1C[C@H]2C[C@@H]3CN(C(=O)CNC(=O)OC)C[C@@]3(C1)O2 1131191183 RDBCKJUEUPUZDM-XJKCOSOUSA-N 321.377 -0.333 30 20 DBED C=CCCC(=O)N1CCC(=O)NCCN(CC(=O)N(C)C)CC1 1131336931 PJGQUWUKHAXSQV-UHFFFAOYSA-N 324.425 -0.309 30 20 DBED C=CCCC(=O)N1CCC[C@H](N2CCN(CC(N)=O)CC2=O)C1 1131710359 UDKOBWZROIOSOZ-ZDUSSCGKSA-N 322.409 -0.427 30 20 DBED CNC(=O)NCCC(=O)N[C@@H]1CC[C@H](C)N(CC#CCOC)C1 1132012935 FCPGSZMUJVYLQQ-UONOGXRCSA-N 324.425 -0.076 30 20 DBED C=CCNC(=O)CN1C[C@H](NC(=O)c2[nH]nnc2C)CC[C@H]1C 1132214026 AOEZGXKSIWONDP-ZYHUDNBSSA-N 320.397 -0.002 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)CCc1cnc[nH]1 1134546054 VKYZEEKUBFBLNQ-QWHCGFSZSA-N 319.409 -0.035 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)c1cn(CC)nn1 1135998613 AIJMDZPIUYKTCH-UHFFFAOYSA-N 320.397 -0.182 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)c2ccc(OC)nn2)C1=O 1146667960 BLRYSHJTQGLRGI-GFCCVEGCSA-N 319.365 -0.409 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)[C@H]1C[C@@]12CCOC2 1147004416 WVRPQEOWBFFAET-CZUORRHYSA-N 322.409 -0.119 30 20 DBED Cc1cccc2c1C[C@@H](C(=O)NCCNCC(=O)NCC#N)O2 1147999836 FUBGOCKSYKZLMR-AWEZNQCLSA-N 316.361 -0.356 30 20 DBED CCCNC(=O)CN1CCCO[C@@H](CNC(=O)[C@@H](C)C#N)C1 1149405394 CBAYDFFLIRNKCX-STQMWFEESA-N 310.398 -0.121 30 20 DBED C[C@H]1CCCN(C(=O)C(=O)NC[C@@H]2CN(CC#N)CCCO2)C1 1150417409 KLMJEDVAGAULKY-UONOGXRCSA-N 322.409 -0.024 30 20 DBED C=C(C)CN1CCCO[C@@H](CNC(=O)CN2C(=O)CNC2=O)C1 1150685155 INQWRXTVABGKLL-LBPRGKRZSA-N 324.381 -0.679 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H](C)N(CC)CCOCCO 1153306276 HAAFRKDJPPERBO-KGLIPLIRSA-N 300.399 -0.140 30 20 DBED CCN(CC#N)[C@H](C)CNC(=O)CN1C(=O)NC(C)(C)C1=O 1156733786 LIAURDQAIYRDIT-SNVBAGLBSA-N 309.370 -0.333 30 20 DBED C#CCNC(=O)[C@@H](C)NCC1(CCNC(=O)c2cnn[nH]2)CC1 1165955820 LGBZWMLIIDDPOZ-LLVKDONJSA-N 318.381 -0.568 30 20 DBED C#CCNC(=O)CNCCCC[C@@H](C)NC(=O)CNC(=O)CC 1169797654 IBPRRBRTUFRJLA-CYBMUJFWSA-N 324.425 -0.473 30 20 DBED C#CCNC(=O)CNCCCNC(=O)CCC(=O)NCCC 1171487821 SMLHCIIZLPLIFS-UHFFFAOYSA-N 310.398 -0.862 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1cccnc1OCC 1175049906 FCWHAYPCTWKGOC-UHFFFAOYSA-N 318.377 -0.061 30 20 DBED CNC(=O)C1(C(=O)N2CC[C@@H]3OCCN(CC#N)[C@@H]3C2)CCC1 1177139668 SWSLMNHDXUPULU-OLZOCXBDSA-N 320.393 -0.272 30 20 DBED CC(C)(C)C(=O)NCC(=O)N1CC[C@H]2OCCN(CC#N)[C@@H]2C1 1177149863 DOADAUXFJKJQQE-CHWSQXEVSA-N 322.409 -0.026 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2cc(C)[nH]n2)C1 1181287747 PXKFCCWUBGFOIP-NWDGAFQWSA-N 303.366 -0.340 30 20 DBED CNS(=O)(=O)CC(=O)N1C[C@@H](C)[C@](C)(CNCC#N)C1 1183449332 XNTWELCELZASTR-ZYHUDNBSSA-N 302.400 -0.867 30 20 DBED C#CCNC[C@H]1CN(C(=O)C2(C(N)=O)CC2)CC12CCOCC2 1186503417 GEUXEVADQYDRJC-ZDUSSCGKSA-N 319.405 -0.270 30 20 DBED N#CCNC(=O)CN1C[C@@H]2CCN(C(=O)C#CC3CC3)[C@@H]2C1 1187820995 UYXDWJNCLVWXEH-UONOGXRCSA-N 300.362 -0.428 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 1192037077 GBGCKNCWNCLZNF-ZIAGYGMSSA-N 302.334 -0.689 30 20 DBED C=CCC(CC=C)C(=O)N[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1O 1193231523 HFUHYVBYYGBPSV-VXGBXAGGSA-N 324.381 -0.889 30 20 DBED CO[C@@H]1CC[C@H](C(=O)N2CCCN(CC(=O)NCC#N)CC2)C1 1196376686 VJVYCQOTTAGART-UONOGXRCSA-N 322.409 -0.024 30 20 DBED N#CCNC(=O)CNC1CCN(C(=O)C[C@@H]2CCCO2)CC1 1199432288 VZULLMBSEWDXKC-ZDUSSCGKSA-N 308.382 -0.224 30 20 DBED C=CCOCC(=O)N1CCCO[C@@H](CN[C@@H](CC)C(N)=O)C1 1200114712 HNHDEABWECRJGF-STQMWFEESA-N 313.398 -0.340 30 20 DBED N#CCNC[C@@H]1CN(C(=O)CC2CS(=O)(=O)C2)CCCO1 1200851644 QNNGAGBIIHDGGH-GFCCVEGCSA-N 315.395 -0.848 30 20 DBED NC(=O)NC(=O)CN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)C#CC1CC1)C2 1204295215 JILDEAYKEUSJQG-JHJVBQTASA-N 318.377 -0.436 30 20 DBED N#CCNC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2CC2(F)F)C1 1207985937 BWXIFJPZDZCDAQ-UWVGGRQHSA-N 300.309 -0.138 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)C2CC(OC)C2)C1 1208384851 YCFQJTBFDPYGBR-MOKVOYLWSA-N 307.394 -0.259 30 20 DBED Cc1ccn(CC(=O)N2CCC[C@@H](NCC(=O)NCC#N)C2)n1 1209690173 PGURXBZBQNGTQN-CYBMUJFWSA-N 318.381 -0.588 30 20 DBED C=C(Br)CN[C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1C 1214120856 YPYZSLDZSKGTEF-VXNVDRBHSA-N 319.203 0.000 30 20 DBED CCN(CC)S(=O)(=O)CC(=O)N1C[C@@H](NCC#N)[C@H](C)C1 1215742072 FSIMXSFWLBCPQH-VXGBXAGGSA-N 316.427 -0.382 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CC[C@]1(C)CCC(=O)N1 1219076939 BKPCMXZSOWVSPH-VBQJREDUSA-N 319.405 -0.020 30 20 DBED COc1cncc(CN2C[C@H](O)[C@H](NC(=O)[C@@H](C)C#N)C2)n1 1219381131 IXALUHDNRNYDQG-WCQGTBRESA-N 305.338 -0.694 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)CCc2ncc[nH]2)C1 1219543311 HILZFMLVXXFUHQ-OLZOCXBDSA-N 306.366 -0.847 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)CNC(=O)c2cccnc2)C1 1220399276 JHXFGBBZYMTOJH-KGLIPLIRSA-N 318.377 -0.451 30 20 DBED C=CCCCCCN1C[C@H](O)[C@H](NC(=O)CCn2cnnn2)C1 1220606294 NTGLTDUMJJSKQG-KGLIPLIRSA-N 322.413 -0.029 30 20 DBED C=CCNC(=O)CN1CCC(CNC(=O)CN(C)C(C)=O)CC1 1222425363 DSFUJQVCTXGMSE-UHFFFAOYSA-N 324.425 -0.405 30 20 DBED C#CCN1CCC(CNC(=O)CN2CCCS2(=O)=O)CC1 1223405023 OSYVKGSMUVBQJE-UHFFFAOYSA-N 313.423 -0.517 30 20 DBED N#CCNC(=O)CN1CCC(NC(=O)c2cnccn2)CC1 1225844797 VQOLTKFZCTWYAK-UHFFFAOYSA-N 302.338 -0.689 30 20 DBED C#CCCN[C@@H]1CCCC[C@H]1NC(=O)CN(C)S(C)(=O)=O 1226579738 MMRHOMUYBOWEIE-CHWSQXEVSA-N 315.439 -0.082 30 20 DBED CCOCC(=O)NCC[C@@H]1CN(CC#N)CCS1(=O)=O 1230413763 WZMOCOSQVKKOMA-LLVKDONJSA-N 303.384 -0.848 30 20 DBED C#CCCCCNC(=O)C(=O)N1CCC(S(C)(=O)=O)CC1 1259791098 QJTJRXVCWFXJLN-UHFFFAOYSA-N 314.407 -0.058 30 20 DBED C[C@@H](NC(=O)C(=O)N[C@@H]1CC[C@H](C#N)C1)c1nnnn1C1CC1 1261928626 KZUVGTWNAKWOPX-KXUCPTDWSA-N 317.353 -0.006 30 20 DBED CC(C)(CNC(=O)C(=O)N1CCC[C@H](C#N)C1)N1CCOCC1 1262221921 DHZRUIICCHNCIT-CYBMUJFWSA-N 322.409 -0.024 30 20 DBED N#C[C@@H](C(=O)C1CC(F)(F)C1)C(=O)N1CCS(=O)(=O)CC1 1263291134 NIJCVAWAJVBHDA-VIFPVBQESA-N 320.317 -0.002 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)[C@]2(C)CCNC(=O)C2)C1 1316983648 ZZUAMVPWVZQKKH-MLGOLLRUSA-N 322.409 -0.605 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)[C@H](NC(C)=O)C(C)C)C1 1317066938 JXGGJGSVIBHIOP-DZGCQCFKSA-N 324.425 -0.360 30 20 DBED C[C@@]1(C#N)CCCN(C(=O)C(=O)NCCCN2CCOCC2)C1 1322836242 JXSWSRPERFHPJL-INIZCTEOSA-N 322.409 -0.023 30 20 DBED C#CCOCCNC(=O)C(=O)NCc1nccn1C(F)F 1323689843 YULSRMGCRASZTL-UHFFFAOYSA-N 300.265 -0.340 30 20 DBED Cc1cc(NC(=O)C(=O)N[C@H](C)CS(C)(=O)=O)ncc1C#N 1326742970 CIPGORABXMUVRI-SECBINFHSA-N 324.362 -0.251 30 20 DBED C=CCn1cc(C(=O)N2C[C@@H](N)[C@H](c3cnn(C)c3)C2)nn1 1328523505 DVJCUJRWZBERJP-NWDGAFQWSA-N 301.354 -0.236 30 20 DBED COC[C@](C)(O)CNC(=O)C(=O)Nc1cc(C)c(C#N)cn1 1329054776 QRHWVJNIAQDICX-CQSZACIVSA-N 306.322 -0.286 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)NCC1([S@](C)=O)CCC1 1329913450 CRVVLUJEPHPRFI-FVINQWEUSA-N 302.396 -0.279 30 20 DBED CO[C@@H]1CC[C@H](NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1 1332478618 XFRCNVHGIWEPPZ-FPMFFAJLSA-N 320.393 -0.131 30 20 DBED C=C(C)CN(CC)C(=O)C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 1332832621 WMDOYMHIXBATFF-LLVKDONJSA-N 317.411 -0.439 30 20 DBED C=CCNC(=O)Cn1nnnc1N1CCCN(C(=O)CC)CC1 1337174978 PHBSXWNWQLIJDK-UHFFFAOYSA-N 321.385 -0.576 30 20 DBED Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)NCCCCC#N 1347393602 AUYHOWQVDQUNGB-UHFFFAOYSA-N 312.351 -0.335 30 20 DBED C[C@H]1COCCN1CCNC(=O)C(=O)NCC1(CC#N)CC1 1347566883 YHQCRXPUNQCRAW-LBPRGKRZSA-N 308.382 -0.367 30 20 DBED COc1ccncc1CNC(=O)Cn1cc(C#N)c(O)nc1=O 1362633770 OQYWKBVUIXLLLO-UHFFFAOYSA-N 315.289 -0.459 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N[C@H](CO)c2cccnc2)CCO1 1365721249 WZOPATPEYNRWFM-VXGBXAGGSA-N 312.351 -0.826 30 20 DBED CC(=O)NCC(=O)N1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H]1C 1370833741 YJAFOWRCUQBVJX-CABZTGNLSA-N 317.349 -0.258 30 20 DBED COC[C@H](OC)C(=O)NCC1CN(C(=O)c2c[nH]c(C#N)c2)C1 1374906739 ZLPJFCJHDJQRFW-ZDUSSCGKSA-N 320.349 -0.264 30 20 DBED C[C@H](C#N)C(=O)N(C)CCN(C)C(=O)CNC(=O)N1CCCC1 1391832978 OVAUODBHVZNVHU-GFCCVEGCSA-N 323.397 -0.132 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)c2ccc(C(N)=O)o2)CC1 1393758769 RPNINLAYWGSLCY-QMMMGPOBSA-N 304.306 -0.083 30 20 DBED C[C@H](CNC(=O)CCn1cncn1)NC(=O)c1cc(C#N)c[nH]1 1399928055 PUFHINVBAYWGKL-SNVBAGLBSA-N 315.337 -0.197 30 20 DBED COC(=O)NCC(=O)N[C@H]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 1407810389 QJORMAQAQVXSHP-MGCOHNPYSA-N 319.321 -0.381 30 20 DBED N#Cc1c[nH]c(C(=O)NCC2(NC(=O)[C@H]3CCC(=O)N3)CC2)c1 1410696406 FIZGSLHJQVDKMV-SNVBAGLBSA-N 315.333 -0.456 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CC12CCN(C(=O)[C@@H](C)C#N)CC2 1414810122 ROMNSOFGVJVPQZ-CMPLNLGQSA-N 306.366 -0.221 30 20 DBED C[C@@H](C#N)C(=O)NCC1CN([C@@H](C)C(=O)NC(=O)NC2CC2)C1 1421134666 YGXFLAUTPVXJMM-UWVGGRQHSA-N 321.381 -0.429 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](C1CC1)N(C)C(=O)CCn1cnnn1 1424933665 BANHOSIVLWLAFF-JQWIXIFHSA-N 319.369 -0.424 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H](C)CNC(=O)c1ccc(=O)n(C)n1 1426832747 OAZSLUJCUJTNEW-NXEZZACHSA-N 305.338 -0.483 30 20 DBED COCC(=O)N(C)CC(=O)NC[C@@H](NC(=O)[C@H](C)C#N)C1CC1 1427930615 ROPQXWRATFIANR-ZYHUDNBSSA-N 324.381 -0.738 30 20 DBED Cc1c(C(=O)NC[C@H](NC(=O)[C@H](C)C#N)C2CC2)nnn1C 1429946645 MVPQAKVREYNNRV-KCJUWKMLSA-N 304.354 -0.092 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1cc(Cl)n(C)n1 1431563780 KQSZFSICZSUDCY-JGVFFNPUSA-N 313.745 -0.560 30 20 DBED CC[C@H](CNC(=O)c1cc(C(N)=O)ccn1)NC(=O)[C@@H](C)C#N 1432754437 UXZCYDITFGCJAT-GXSJLCMTSA-N 317.349 -0.035 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)CCN3CCOCC3)[C@H]2C1 1447707286 NFRIFLCRPJSVFF-CXTNEJHOSA-N 320.393 -0.559 30 20 DBED N#Cc1cn(CCC(=O)N2CCn3cncc3C2)c(=O)nc1O 1468670398 ZRFPRALNGDUKSN-UHFFFAOYSA-N 314.305 -0.550 30 20 DBED N#Cc1ncn(CCNS(=O)(=O)N=S2(=O)CCCC2)n1 1475276998 NWRPETMTOZIRPK-UHFFFAOYSA-N 318.384 -0.754 30 20 DBED CC(=O)NCC(=O)N[C@H](C)CCNC(=O)c1cc(C#N)c[nH]1 1495495927 ZLKSAMNORASWQV-SECBINFHSA-N 305.338 -0.353 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)NCc1nc[nH]c1C(=O)O 1573400481 YGPBIBKJDLYYJW-SSDOTTSWSA-N 301.328 -0.466 30 20 DBED C#CCN(C)c1nnc([C@@H]2CCCN2)n1C[C@@]1(O)CCOC1 1574614712 HSKRCSJGXATWMD-WFASDCNBSA-N 305.382 -0.077 30 20 DBED C=C1CCN(C(=O)NCCn2cnc(-c3nn[nH]n3)n2)CC1 1588462718 OVDIERFOCSWHRP-UHFFFAOYSA-N 303.330 -0.180 30 20 DBED C=C(C)C[C@H](NS(=O)(=O)CCCS(C)(=O)=O)C(=O)O 1588553177 IQTBGSVUHGQITR-VIFPVBQESA-N 313.397 -0.240 30 20 DBED C[C@@H](C(=O)Nc1cc(C#N)ccn1)n1cnc(-c2nn[nH]n2)n1 1589011824 NPZBVMGRQPREIY-ZETCQYMHSA-N 310.281 -0.075 30 20 DBED C[C@H](C#N)C(=O)N(C)C[C@H](O)CN(C)c1ccnc(C(=O)O)n1 1589323687 KHKFZEFBSFGMRD-NXEZZACHSA-N 321.337 -0.410 30 20 DBED CCN1CCOC[C@H]1C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[nH]1 1590736009 LGDGGYAFRFNDBP-QMMMGPOBSA-N 317.313 -0.879 30 20 DBED CNCCCc1[nH]nc(NC(=O)[C@@H](C)C#N)c1-c1nn[nH]n1 1591218013 JYPHBXUJVOJMGN-ZETCQYMHSA-N 303.330 -0.160 30 20 DBED N#Cc1ncn(CCNC(=O)Cc2cccc(-c3nn[nH]n3)c2)n1 1592710333 VLGZZDSWASGEOE-UHFFFAOYSA-N 323.320 -0.311 30 20 DBED Cc1csc(NC(=O)C(=O)NCC(=O)NCC#N)c1C(=O)O 1600660140 KQPACCHIEMJZCD-UHFFFAOYSA-N 324.318 -0.551 30 20 DBED C#CC[C@@H](NS(=O)(=O)c1cc(C(=O)OC)no1)C(=O)O 1602698575 LYCIBYRGQPGRQV-ZCFIWIBFSA-N 302.264 -0.784 30 20 DBED N#CCNC(=O)CNC(=O)/C=C/c1ccccc1-c1nn[nH]n1 1609496144 PTXONRUNPBNSKN-AATRIKPKSA-N 311.305 -0.364 30 20 DBED N#Cc1ncn(CC(=O)N[C@@H]2CCCc3c2cnn3CCO)n1 1649731585 HTYZWFBBXLSIMB-LLVKDONJSA-N 315.337 -0.468 30 20 DBED C=CCOCCNC[C@H]1CCCCN1C(=O)[C@H]1CNC(=O)N1 1713265580 LUKOCTXDQDOVJE-CHWSQXEVSA-N 310.398 -0.159 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)C[C@H]2CCC(=O)NC2)C1 1713824554 PNRLIRKDGYIGFO-OLZOCXBDSA-N 322.409 -0.605 30 20 DBED C#CCNC(=O)CN(C)CCNC(=O)[C@@H]1CCc2cccnc21 1753061359 OONYOIVSGMBOPG-CQSZACIVSA-N 314.389 -0.091 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCN(C1CC1)[C@@H](CC)C(N)=O 1753155675 FBGAWLXQDKDIDJ-GJZGRUSLSA-N 320.437 -0.072 30 20 DBED C=CCN1CC[C@@H](NCCN(C)C(=O)[C@@H]2CCCN2C)C1=O 1753176425 PLJQNSNJNLIWIP-KGLIPLIRSA-N 308.426 -0.085 30 20 DBED C#CCNC(=O)CN(C)C[C@@H]1CCN(C(=O)[C@@H](C)OCC#C)C1 1753349937 YXGZPWOMBBEUAH-CABCVRRESA-N 319.405 -0.446 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N1CC(NC(=O)[C@H]2C[C@@H]2C)C1 1753384661 WFQCLWXSRATJRP-UMNHJUIQSA-N 308.382 -0.157 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccon1 1753419628 QBSSLRGXVRZLRI-UBHSHLNASA-N 316.361 -0.360 30 20 DBED C#CCNC(=O)CN1CC[C@@H](N(C)C(=O)c2ccn(CC)n2)C1 1753446148 VWUOZGWRLDTBKW-CYBMUJFWSA-N 317.393 -0.201 30 20 DBED C[C@](CNCC#N)(NC(=O)CCn1cc[nH]c(=O)c1=O)C1CC1 1753525509 AYDYZSCAMYOZNG-OAHLLOKOSA-N 319.365 -0.675 30 20 DBED CCN(CCNCC(=O)NCC#N)C(=O)Cn1ccnc1C 1754082225 OFDZXPXJRGPYNY-UHFFFAOYSA-N 306.370 -0.731 30 20 DBED C=CCNC(=O)CN1CC[C@@H]1CNC(=O)C12CCN(CC1)C2 1754499451 HATSTINLMSGFEY-CYBMUJFWSA-N 306.410 -0.425 30 20 DBED COCC#CCN1CCOC[C@H]1CNC(=O)C1(CN(C)C)CC1 1754970938 CVXLVCQFZIRYOE-OAHLLOKOSA-N 323.437 -0.205 30 20 DBED C#CCCN1CCOC[C@@H]1CNC(=O)CCCn1cncn1 1754973143 XBXNDTFITCSMLS-AWEZNQCLSA-N 305.382 -0.101 30 20 DBED C#CCCN[C@@]1(CO)CCCN(C(=O)[C@H]2CCN(C)C2=O)C1 1755087563 FFMDFKKKBYVZNI-BBRMVZONSA-N 307.394 -0.569 30 20 DBED Cc1ocnc1C(=O)N1C[C@H](C)[C@H](NCC(=O)NCC#N)C1 1755106204 YGVHWYTXANNOCV-GXSJLCMTSA-N 305.338 -0.327 30 20 DBED C[C@@H]1C[C@@H](NC(=O)c2cccnn2)CCN1CC(=O)NCC#N 1755168012 WAVFANAMWQZARJ-NEPJUHHUSA-N 316.365 -0.301 30 20 DBED C=CCCN1C[C@H]2[C@H](CNC(=O)C[C@H]3CC(=O)NC3=O)[C@H]2C1 1755439274 NCAPRMJBRGMARX-ZDEQEGDKSA-N 305.378 -0.091 30 20 DBED CC#CCN[C@@H](CO)CNC(=O)c1cn(-c2ccccc2)nn1 1755642311 LBSPKJFTSXKVKR-CYBMUJFWSA-N 313.361 -0.029 30 20 DBED C#CCCNC[C@@H]1CC[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)C1 1755746283 GPYKGBYYXIVRCU-CHWSQXEVSA-N 320.393 -0.222 30 20 DBED C#Cc1ccc(C(=O)NC[C@H](C2CC2)N(C)C(=O)C(N)=O)nc1 1756420860 JVYYXQWLAJCIKS-CYBMUJFWSA-N 314.345 -0.485 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H](C)CN(C)C(=O)c1cnn(C)n1 1756471704 BDYMQKNRVAASAP-QWRGUYRKSA-N 307.354 -0.570 30 20 DBED C=C[C@](C)(O)CC(=O)N(C)C[C@@H](O)CNC(=O)C1(CF)CC1 1756661377 YAGVWPUGXJDFOQ-FZMZJTMJSA-N 316.373 -0.001 30 20 DBED C#CCCCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cncnc2C)C1 1756981038 OLVMDHLHBKHIBO-ZIAGYGMSSA-N 316.361 -0.110 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cnn(C)c1)CCO2 1783047888 LUOPLMWIEKZVMY-HNNXBMFYSA-N 302.334 -0.503 30 20 DBED C=C(C)CN(CC)C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 23242639 YXVPUMXPUYMHFN-UHFFFAOYSA-N 319.365 -0.142 30 20 DBED C=CCNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)cc1 48619218 HVFGMSROCLRDDC-UHFFFAOYSA-N 302.334 -0.137 30 20 DBED CS(=O)(=O)N1CCC[C@@H]1C/N=C(\N)N1CCSCC1 133913527 PPEQDFSJMBXLAM-SNVBAGLBSA-N 306.457 -0.226 30 20 DBED N#Cc1ccc(S(=O)(=O)NCC(=O)NCC(F)(F)F)cn1 170665188 ZTOOPWCMIDQPEC-UHFFFAOYSA-N 322.268 -0.090 30 20 DBED C/N=C(/NC[C@H](O)c1ccc(C)o1)NC[C@H]1CN2CCN1CC2 261967240 MZJDAVQNWNZSPS-KBPBESRZSA-N 321.425 -0.214 30 20 DBED COC(=O)[C@@H]1COCCN1S(=O)(=O)c1ccc(C#N)o1 288079610 JTMWMYZGJILFPW-VIFPVBQESA-N 300.292 -0.286 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)N2CCS(=O)(=O)CC2)C1=O 329804443 ABRNIZIFJLEROM-NSHDSACASA-N 315.395 -0.445 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)NCC(=O)N1CCCC1 330382512 XEYMCWRJUWQKCF-LLVKDONJSA-N 302.400 -0.075 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N[C@H]1CC(=O)N(C2CC2)C1 331777359 ORDZWYFQMRHZFQ-ZJUUUORDSA-N 300.384 -0.182 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CC[C@H](S(C)(=O)=O)C1 337070916 YPGFZHCPUIHJKF-QWRGUYRKSA-N 323.440 -0.168 30 20 DBED CC#CCN(C)C(=O)[C@@H]1OCC(=O)N(C)[C@@H]1c1cnn(C)c1 341071185 XMGKODCHJOWBJN-ZIAGYGMSSA-N 304.350 -0.200 30 20 DBED C[C@@H](CO)N1CCCN(C(=O)CNc2ccc(C#N)cn2)CC1 347251043 YTZUSZAHJWASPD-ZDUSSCGKSA-N 317.393 0.280 30 20 DBED C=CCN(CC=C)C(=O)CN(CCOC)S(=O)(=O)N(C)C 348129571 TYHZTVIQWLMVED-UHFFFAOYSA-N 319.427 -0.058 30 20 DBED C=CCn1c(N)nnc1SCC(=O)N1CCC[C@@H](C(N)=O)C1 353253334 PXELFMQKIRLOCQ-SECBINFHSA-N 324.410 -0.138 30 20 DBED C=CCNC(=O)NC(=O)CN(C)[C@H](C)CS(=O)(=O)CC 354122969 QQQDWOGAQKNFNI-SNVBAGLBSA-N 305.400 -0.247 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N[C@@H]1CC(=O)N2CCCC[C@H]12 355258462 WZYQNSCIAYBISP-CHWSQXEVSA-N 323.393 -0.083 30 20 DBED C=CCCOCCNC(=O)C(=O)N[C@@H]1CC(=O)N2CCCC[C@H]12 355259279 XSTHQIATHQRTAF-CHWSQXEVSA-N 323.393 -0.035 30 20 DBED N#CCC1(O)CN(C(=O)CN2C(=O)NC3(CCCCC3)C2=O)C1 373061222 YWDZPRLMKDDVNG-UHFFFAOYSA-N 320.349 -0.272 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H]1CCCCNC1=O 407953111 KXHUXQFDDLYFOT-GHMZBOCLSA-N 302.400 -0.029 30 20 DBED CCS(=O)(=O)NCCS(=O)(=O)N(CCC#N)CCC#N 447181449 COELEAIDQYXAOQ-UHFFFAOYSA-N 322.412 -0.615 30 20 DBED CO[C@@H]1CN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C[C@H]1O 451757872 ISQGYWNTOLNCCE-RBSFLKMASA-N 324.425 -0.630 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CC(S(=O)(=O)CC)C1 451919402 SIQFDWZWVOOSFN-UHFFFAOYSA-N 309.413 -0.414 30 20 DBED C#CCN1CCN(C(=O)CSc2nnnn2CC=C)CC1 490740683 MMRFOHZXTNNDGG-UHFFFAOYSA-N 306.395 -0.271 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@@H](F)C(F)(F)F)CC1 491071977 OYJNHXVYMLQVLT-SNVBAGLBSA-N 309.263 -0.220 30 20 DBED C#CCN(C)S(=O)(=O)CCCS(=O)(=O)N[C@@H](C)C#N 491750538 VIMKOVZEIMWCQA-JTQLQIEISA-N 307.397 -0.897 30 20 DBED C#CCN1CCN(C(=O)Cn2c(C(=O)OC)cccc2=O)CC1 491776280 ZBKSKCHQTMYEIK-UHFFFAOYSA-N 317.345 -0.588 30 20 DBED CN(CCC#N)C[C@H](O)CNCCNC(=O)c1cnccn1 566110556 MBZWGVZHKFZHHN-GFCCVEGCSA-N 306.370 -0.998 30 20 DBED C=CCNc1nnc(S(=O)(=O)CCN2CCCC2=O)s1 572185404 BKFBOIROADVZKO-UHFFFAOYSA-N 316.408 0.532 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1CC[C@@H](CC(=O)O)C1 572726150 LZXZYEPGWMGZQK-NSHDSACASA-N 319.383 -0.110 30 20 DBED N#Cc1cccc(NC(=O)C(=O)N2CCN(CCO)CC2)n1 581130944 ZSFKNRHMLPPAQA-UHFFFAOYSA-N 303.322 -0.972 30 20 DBED C[C@H]1CN(C(=O)C(=O)NC2CCN(CC#N)CC2)[C@H](C)CO1 588128967 VSCAYFKCLIYBJC-NEPJUHHUSA-N 308.382 -0.274 30 20 DBED N#CCNC(=O)CNC(=O)Nc1cccnc1-n1cncn1 588240940 NADONZWVDDEGOB-UHFFFAOYSA-N 300.282 -0.576 30 20 DBED CCN(CCC#N)S(=O)(=O)NCC1(C(=O)O)CCOCC1 592455528 JUVHGJNRSJQGMS-UHFFFAOYSA-N 319.383 -0.062 30 20 DBED N#Cc1cnnc(N2CCN(C(=O)C(=O)N3CCCC3)CC2)c1 596082924 PYXCWOFQALFYIM-UHFFFAOYSA-N 314.349 -0.381 30 20 DBED C=CCN(CCC#N)C(=O)[C@H]1CCCN(S(N)(=O)=O)C1 597683108 CTOMJVYGFCQUIF-NSHDSACASA-N 300.384 -0.170 30 20 DBED C=C[C@@H](O)C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)OC(C)(C)C 597781016 SUCRAIIYDQJHHV-NXEZZACHSA-N 319.379 -0.499 30 20 DBED CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)CNc1ccc(C#N)cc1 598024335 AJQIBXMQJGWXBB-QWHCGFSZSA-N 323.374 -0.102 30 20 DBED Cc1onc(CC(=O)NCCCN(C)S(C)(=O)=O)c1C#N 611527738 MYZPAGVUUYKLEH-UHFFFAOYSA-N 314.367 -0.205 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)[C@@H](NC(=O)O)C(C)C 736105791 KXOXGQHULVKUDK-VIFPVBQESA-N 301.299 -0.166 30 20 DBED CC[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1cnn(CC#N)c1 746395663 WUFDQRKMBTXKOA-JTQLQIEISA-N 304.310 -0.918 30 20 DBED CCOC(=O)CON=C(C(=O)N1C[C@H](O)C[C@H]1C)c1cc[nH]n1 772636793 VYNVHVHHAAOSOQ-NXEZZACHSA-N 324.337 -0.325 30 20 DBED C#C[C@@H](NC(=O)CCC(=O)NCCNC(C)=O)[C@@H]1CCCO1 772881572 SDRIQGOBDQXHQS-OLZOCXBDSA-N 309.366 -0.684 30 20 DBED C#CCOc1ccccc1NC(=O)C(=O)N(C)[C@@H]1CCNC1=O 785290140 KZMOFZJPQCTFNP-GFCCVEGCSA-N 315.329 -0.016 30 20 DBED CC(C)(C(=O)OCC(=O)NC1(C#N)CCC1)S(C)(=O)=O 785983391 BPHQKLZDJXIZKC-UHFFFAOYSA-N 302.352 -0.085 30 20 DBED C=CCN1CC[C@H](OC(=O)c2cn(CC(=O)N(C)C)nn2)C1=O 798603749 FWDUDICAVMNOSQ-NSHDSACASA-N 321.337 -0.690 30 20 DBED C#C[C@H](NC(=O)N1CC[C@@H](S(C)(=O)=O)C1)[C@@H]1CCCO1 799976408 XGGOXZVNWAJMTL-WOPDTQHZSA-N 300.380 -0.004 30 20 DBED CNS(=O)(=O)N1CCC(C(=O)N=C2C[C@H](C)ON2)CC1 802932279 CKMKOFLNSRVQTA-QMMMGPOBSA-N 304.372 -0.599 30 20 DBED C[C@@H]1CN(C)C(=O)CN1CCS(=O)(=O)c1ccc(C#N)cn1 808749956 HIKCUTBZMRQPLT-LLVKDONJSA-N 322.390 -0.111 30 20 DBED CCN(CC)S(=O)(=O)CC(=O)N[C@@H]1CCCN(O)C1=O 820476711 PHKMXZRDCVWXDE-SECBINFHSA-N 307.372 -0.846 30 20 DBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CN(C)C(=O)O 826086951 FLOKEJDAVAICLA-JTQLQIEISA-N 318.337 -0.005 30 20 DBED C/N=C(/NCCN1CCOCC1)NCc1nnnn1CC1CC1 849089343 NCOWRDONUBXXMV-UHFFFAOYSA-N 322.417 -0.920 30 20 DBED C#CC1(O)CN(C(=O)c2ccc(CCNS(C)(=O)=O)cc2)C1 890520754 OFHNWMVZEQAAFF-UHFFFAOYSA-N 322.386 -0.402 30 20 DBED C#CC1(O)CN(S(=O)(=O)Cc2cccc(C(=O)OC)c2)C1 908230745 AANLUGSRQQLGKV-UHFFFAOYSA-N 309.343 -0.017 30 20 DBED C=CCC[C@@H](NC(=O)C1CN(S(C)(=O)=O)C1)C(=O)OCC 909272771 JFTLDNFIBWVJOO-LLVKDONJSA-N 318.395 -0.108 30 20 DBED Cn1c(C=NNc2cnccn2)nc2c1c(O)nc(=O)n2C 920375961 RUDAIKYDFXFPDW-UHFFFAOYSA-N 300.282 -0.391 30 20 DBED CN1CC[C@H](C(=O)N[C@H]2CCN(C(=O)C#CC3CC3)C2)CC1=O 938231193 GIMKRFXQIFJNPX-KBPBESRZSA-N 317.389 -0.015 30 20 DBED C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(C(=O)C#CC3CC3)C2)C1 938893509 KNVYJLJHVUILTB-OCCSQVGLSA-N 317.389 -0.015 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](N(C)C(=O)c2c[nH]c(C(N)=O)c2)C1 939406028 KGFLDDXEQDKHEB-ONGXEEELSA-N 317.349 -0.054 30 20 DBED O=C(NC[C@H]1CN(C(=O)C#CC2CC2)CCO1)C1=COCCO1 944458736 ZUAKGGALLSFAEV-ZDUSSCGKSA-N 320.345 -0.368 30 20 DBED CC#CCN1C[C@H]2CCN(C(=O)Cn3ncnn3)CC[C@H]2C1 946592270 FRSAMJIZFNDWRC-OKILXGFUSA-N 302.382 -0.133 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC2(CCN([C@H](C)C(N)=O)CC2)C1 949053634 CNJIGLPONGCKJO-NWDGAFQWSA-N 308.382 -0.287 30 20 DBED C[C@@H](C(N)=O)N1CCC2(CC1)CN(C(=O)C#CC1CC1)CCO2 949090195 ZIIMCXUIGVFLFC-ZDUSSCGKSA-N 319.405 -0.033 30 20 DBED N#CCN1CCC2(CC1)CN(C(=O)C[C@H]1CCC(=O)N1)CCO2 949207315 KRSDBKQQPNELBV-CYBMUJFWSA-N 320.393 -0.128 30 20 DBED Cn1cc(C(=O)N2CCC3(CC2)CN(CC#N)CCO3)nn1 949358209 ICKWPZZNPLJGKH-UHFFFAOYSA-N 304.354 -0.354 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CNC(=O)[C@H]2COCCN2C)CC1 949390917 MRJANTIAIZQSNK-GXTWGEPZSA-N 322.409 -0.169 30 20 DBED C=CCn1cc(C(=O)N2CC[C@@H]2CNC(=O)c2ncc[nH]2)nn1 949825747 YDGKWPBTUABUSR-SNVBAGLBSA-N 315.337 -0.168 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@H]2CNC(=O)[C@@H]2CCC(=O)N2)[nH]1 951381258 FBTPEVDSBLOLCQ-QWRGUYRKSA-N 315.333 -0.504 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CCC[C@H](C1)N2C(=O)[C@@H]1CCNC1=O 952785438 KNFFROHKVQGSNC-FVCCEPFGSA-N 318.377 -0.126 30 20 DBED C=CC(C)(C)C(=O)N1CCN([C@@H]2CCN(C(=O)C(N)=O)C2)CC1 956599413 MYVUBOYMTROEHV-GFCCVEGCSA-N 322.409 -0.571 30 20 DBED CC#CCN1C[C@@H](O)[C@@H](CNC(=O)c2ccc(=O)n(C)c2)C1 958202391 DXMRWOMXYCHIGJ-UONOGXRCSA-N 303.362 -0.569 30 20 DBED C=CCN1C[C@@H]2C(NC(=O)c3ccc(S(N)(=O)=O)o3)[C@H]2C1 960777614 SENCUFIQTSFCOX-IUCAKERBSA-N 311.363 -0.227 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1[C@@H]2CN(Cc3cnn(C)n3)C[C@@H]21 961815011 MKTRQTPCNUEWOR-MRLBHPIUSA-N 317.393 -0.047 30 20 DBED Cc1nn[nH]c1C(=O)N1C[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2C1 962031535 SYYCZNHUXQFPJF-INTQDDNPSA-N 302.338 -0.197 30 20 DBED C#CCN1C[C@H]2C(NC(=O)Cc3c(C)nc(O)nc3O)[C@@H]2C1 962128687 IQTFZHFHOODRFL-GHMZBOCLSA-N 302.334 -0.582 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)c1nccnc1N 964137758 SAUQQHUJXSEBIZ-ZJUUUORDSA-N 318.337 -0.824 30 20 DBED O=C(NC[C@H]1COCCN1C(=O)C#CC1CC1)c1csnn1 964268779 RELBFAYXMJOHJL-NSHDSACASA-N 320.374 -0.091 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(CC1)C[C@H]2NC(=O)c1nnn(C)n1 964671906 NGUDNHQJNFQIHE-VHSXEESVSA-N 317.353 -0.519 30 20 DBED C[C@H](C#N)C(=O)N1CCOC2(C1)CN(C(=O)[C@@H]1[C@H]3COC[C@H]31)C2 965478869 WCQNGXHUANOCBA-NDBYEHHHSA-N 319.361 -0.522 30 20 DBED C[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1NC(=O)c1cnn[nH]1 966284080 CPIHQPHGULGZOA-UFBFGSQYSA-N 313.321 -0.105 30 20 DBED CCN(C(=O)[C@@H]1CCN(C)C1=O)C1CN(C(=O)[C@H](C)C#N)C1 968258440 BCFAQMRZHZCWPW-ZYHUDNBSSA-N 306.366 -0.316 30 20 DBED C#CCN[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 968645011 JVLRXDBAJHKYPS-VXGBXAGGSA-N 301.350 -0.414 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@H](NC(=O)c2ccnnc2)C1 970907308 IFTSCVXSIPBTAQ-NEPJUHHUSA-N 304.350 -0.010 30 20 DBED N#CCN1C[C@H]2CC[C@H]1CN2C(=O)CCN1C(=O)CCC1=O 971578680 ZJASUULMPHZGKP-NWDGAFQWSA-N 304.350 -0.276 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)CN3CCCCC3=O)C2)C1 972446623 LGFALTVCNYEYGM-KRWDZBQOSA-N 319.405 -0.065 30 20 DBED N#CCN1CCO[C@]2(CCN(C(=O)C[C@H]3CCC(=O)N3)C2)C1 972593071 MCUBNGNMBWZRKP-IUODEOHRSA-N 306.366 -0.518 30 20 DBED N#Cc1cc(C(=O)N2C[C@H]3[C@H](NC(=O)c4cnn[nH]4)[C@H]3C2)c[nH]1 976799904 MFQUVMBUOQUZJC-IAZYJMLFSA-N 311.305 -0.495 30 20 DBED C=CCN[C@@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)[C@@H]1C 987357687 ZQCDVPTZAZJLKJ-NXEZZACHSA-N 302.338 -0.204 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC(NC(=O)CN3CCCC3)C2)c1 991747598 LKCQTHCMKYDWEZ-UHFFFAOYSA-N 301.350 -0.077 30 20 DBED O=C(N[C@@H]1CCN(C(=O)C#CC2CC2)C[C@H]1O)c1ccnnc1 991818157 GMAKMJQXELHETE-ZIAGYGMSSA-N 314.345 -0.418 30 20 DBED C=C[C@@](C)(CC)C(=O)N1CC(NC(=O)Cn2ncn(C)c2=O)C1 994970376 NCTLKRUENMVXFR-HNNXBMFYSA-N 321.381 -0.489 30 20 DBED Cn1nnnc1CN[C@@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1 998962738 UPCVLDRNFHRFFF-LLVKDONJSA-N 314.353 -0.196 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCN(C(=O)[C@H]3CCNC(=O)C3)C2)C1 1019362679 BWAPTSHRNIQPJA-NEPJUHHUSA-N 318.377 -0.267 30 20 DBED N#Cc1ccc(C(=O)N2C[C@@H]3CCN(C(=O)CC(N)=O)[C@@H]3C2)[nH]1 1021264633 XGSFQQUJVCKOGH-JOYOIKCWSA-N 315.333 -0.565 30 20 DBED N#Cc1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn[nH]c3)C2)[nH]1 1023109643 RNZCDARWQPKRLI-VXGBXAGGSA-N 314.305 -0.775 30 20 DBED C#CCCN1CCC[C@H]1CNC(=O)[C@@H]1CCN(C)S1(=O)=O 1028196876 UIIHDAKBCXFNLY-STQMWFEESA-N 313.423 -0.376 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)Cc3nonc3C)C2)C1=O 1031183544 VIUODAFSZJVOPG-ZDUSSCGKSA-N 319.365 -0.492 30 20 DBED C#Cc1cncc(C(=O)NCC2CN(CC(=O)N3CCC3)C2)c1 1031965928 YAUKNPRBAMPARV-UHFFFAOYSA-N 312.373 -0.043 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCN1CC(=O)N1CCC1 1038368616 QUQJMNRGZVKJFI-CABCVRRESA-N 318.421 -0.493 30 20 DBED C[C@]1(C(=O)N2CC[C@@](O)(CNC(=O)C#CC3CC3)C2)CCOC1 1039681113 ULQVGCQZUKPVSC-DLBZAZTESA-N 320.389 -0.094 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@]1(O)CCN(C(=O)C(C)C)C1 1040183831 FBQKDFWCBDXCAU-WMLDXEAASA-N 321.421 -0.180 30 20 DBED C=CCCCC(=O)NC[C@]1(O)CCN(C(=O)c2ncn(C)n2)C1 1040730011 UWQJORIEFVMSOW-OAHLLOKOSA-N 321.381 -0.135 30 20 DBED N#Cc1nccnc1N1C[C@@H](O)[C@H](NC(=O)c2cc(F)c[nH]2)C1 1041258852 XLBJCQPQEUKESK-VXGBXAGGSA-N 316.296 -0.205 30 20 DBED C=CCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2COCCO2)C1 1041603565 KTIHIFJAQDJYQE-LBPRGKRZSA-N 312.366 -0.552 30 20 DBED CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)CSCC#N)C1 1041628587 UJOFFWSYHCYFLA-SNVBAGLBSA-N 315.395 -0.642 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)CNC(=O)C2CC2)C1 1041674683 JKSQTKZORWWJPG-UHFFFAOYSA-N 323.393 -0.586 30 20 DBED CC(C)(C)C#CC(=O)N1CC(O)(CNC(=O)c2cnsn2)C1 1041691850 MTSNUQPFQGSDGZ-UHFFFAOYSA-N 322.390 -0.109 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)c2cn(CC)nn2)C1 1041960196 HQYRCZSNNLKGLY-UHFFFAOYSA-N 307.354 -0.433 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)C[C@@H]2CCN(C)C2)C1 1042799390 LNQVLKWVKWYYAB-AWEZNQCLSA-N 321.421 -0.179 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)c2cnsn2)C1 1042803301 WEFWQGASUNFRAV-UHFFFAOYSA-N 308.363 -0.355 30 20 DBED Cc1nccc(C(=O)NCC2(O)CN(C(=O)C#CC(C)C)C2)n1 1043151321 AUJVFSZJAVWRHI-UHFFFAOYSA-N 316.361 -0.252 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)CCCn2cccn2)C1 1043159652 GLZKIKAUGLVUQL-GFCCVEGCSA-N 319.365 -0.488 30 20 DBED C=CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)c2cc(C)[nH]n2)C1 1043569709 CHWQDZYEHJSOBF-LLVKDONJSA-N 322.365 -0.388 30 20 DBED C#CCCN1CC[C@H](N2CCN(C(=O)c3[nH]nnc3C)CC2)C1 1046051029 UVPOFXINDMBWPO-AWEZNQCLSA-N 316.409 -0.031 30 20 DBED C#CCN1CC[C@@H](N2CCN(C(=O)c3c[nH]c(=O)cn3)CC2)C1 1046054915 RUTXSVVHROVSEY-CYBMUJFWSA-N 315.377 -0.765 30 20 DBED N#CCN1CC[C@@H](N2CCN(C(=O)C[C@H]3CCC(=O)N3)CC2)C1 1046070311 RQSOYUXKDSDESC-ZIAGYGMSSA-N 319.409 -0.603 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CCCCC(=O)N2)C1 1047609487 HHWODKVXGPDSSE-ILXRZTDVSA-N 321.421 -0.038 30 20 DBED C#Cc1ccccc1CC(=O)N(C)[C@H]1CN(CC(N)=O)C[C@@H]1O 1047610647 YFUYZGVOZOOFBN-GJZGRUSLSA-N 315.373 -0.801 30 20 DBED C#CCOCCC(=O)N(C)[C@H]1CN(C(=O)c2ncc[nH]2)C[C@@H]1O 1048847869 NQBQBDPCQNQQOY-RYUDHWBXSA-N 320.349 -0.907 30 20 DBED C=CCN1C[C@@H]2CCCN(C(=O)[C@@H]3CCS(=O)(=O)N3)[C@@H]2C1 1050205131 ZUUXBTOBYIHSBH-RWMBFGLXSA-N 313.423 -0.213 30 20 DBED C[C@@H]1[C@@H](NC(=O)Cn2ncnn2)CCN1c1ccc(C#N)cn1 1050639680 SYOIOBOFHHLKAC-PWSUYJOCSA-N 312.337 -0.277 30 20 DBED N#CCN1CCOC[C@@H]1CNC(=O)C1CCN(C(N)=O)CC1 1051237666 ALGABVQCOHBHTJ-LBPRGKRZSA-N 309.370 -0.882 30 20 DBED C=CCN1CCN([C@@H]2CCN(C(=O)[C@H]3COC(=O)N3)C2)CC1 1052023338 SEINWFWEGPQUQL-CHWSQXEVSA-N 308.382 -0.501 30 20 DBED C#CCCN1CCN([C@H]2CCN(C(=O)Cc3nc[nH]n3)C2)CC1 1052107009 YWMGSZLIPGGXOZ-AWEZNQCLSA-N 316.409 -0.411 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1C 1052971488 BPPZTAOVXNIOJH-NEPJUHHUSA-N 321.381 -0.158 30 20 DBED CCN1C[C@@H](C(=O)N2CCOC3(CN(CC#N)C3)C2)CC1=O 1053279153 GNBNCQKPBBTDDY-LBPRGKRZSA-N 306.366 -0.708 30 20 DBED C#CCN1CC2(C1)CN(C(=O)[C@@H]1CCc3cncn3C1)CCO2 1053316666 SUWWIALYPAIEFQ-CQSZACIVSA-N 314.389 -0.008 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)[C@@H]3CCn4cncc4C3)CO2)C1 1053851030 IZTGCTNLLVPYNZ-OLZOCXBDSA-N 315.377 -0.071 30 20 DBED N#Cc1ccccc1CN1CC2(C[C@@H](NC(=O)C(N)=O)CO2)C1 1053911608 IGWMNSNBCPYXGK-CYBMUJFWSA-N 314.345 -0.497 30 20 DBED Cn1cncc1CC(=O)NC1[C@@H]2CN(c3nccnc3C#N)C[C@@H]12 1056254763 RZLRMXRVKIWZJG-VXGBXAGGSA-N 323.360 -0.125 30 20 DBED C#CCO[C@H](C)C(=O)NCCN(CCO)C(=O)c1ccncc1 1056796804 HAGVETGBPWPMAP-CYBMUJFWSA-N 319.361 -0.329 30 20 DBED CN(c1ncccc1C#N)[C@@H]1CCN(C(=O)Cn2cnnn2)C1 1056849271 APDXRIYLMINHLQ-GFCCVEGCSA-N 312.337 -0.323 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)[C@@H]1COCCN1C 1057170847 DAPNDYKZZWXNCR-ZDUSSCGKSA-N 313.398 -0.780 30 20 DBED C=CCCCC(=O)NCCN(CCO)C(=O)CC(=O)N(C)C 1057622215 HXRDUPVUYWSUAI-UHFFFAOYSA-N 313.398 -0.242 30 20 DBED Cc1nccn1CC(=O)N(CCO)CCNC(=O)[C@@H](C)C#N 1057644001 UEQUAAFZKBENER-NSHDSACASA-N 307.354 -0.712 30 20 DBED C#CCO[C@H](C)C(=O)NCCN(CCO)C(=O)c1nc(C)c[nH]1 1057708190 RYXZCFUINDJCIA-GFCCVEGCSA-N 322.365 -0.693 30 20 DBED Cc1nonc1CC(=O)N[C@H]1CCN(c2nccnc2C#N)C1 1058430461 VEYDQIXGKDXZQL-JTQLQIEISA-N 313.321 -0.023 30 20 DBED Cc1cc(=N[C@H]2CCN(C(=O)[C@@H]3COC(=O)N3)C2)c(C#N)c[nH]1 1058883366 CHXAISPOBURMQD-AAEUAGOBSA-N 315.333 -0.195 30 20 DBED C[C@@H](C(=O)N1CC[C@H](N=c2cc[nH]cc2C#N)C1)S(C)(=O)=O 1059109446 MKFSUGGQKONTKB-JQWIXIFHSA-N 322.390 -0.179 30 20 DBED N#Cc1nccnc1N1CC[C@@H]2[C@H](CCCN2C(=O)C(N)=O)C1 1059540753 YBBAEGXRNAJZIL-ZYHUDNBSSA-N 314.349 -0.349 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@@H](CCNC(=O)c2nc[nH]n2)C1 1059646743 WZDHFPNGDOUABJ-VXGBXAGGSA-N 319.365 -0.189 30 20 DBED N#Cc1ccc(N[C@H]2C[C@@H](NC(=O)c3c[nH]c(=O)cn3)C2)nn1 1059799136 YQLHBRKQANCTJV-AOOOYVTPSA-N 311.305 -0.196 30 20 DBED N#Cc1cncc(N[C@@H]2CC[C@@H]3CN(C(=O)C(N)=O)C[C@@H]32)n1 1060554645 ZZDYJGCIIUGXCA-DVVUODLYSA-N 300.322 -0.518 30 20 DBED Cc1cc(=NC[C@@H]2CCN(C(=O)CC(N)=O)C2)c(C#N)c[nH]1 1060833403 CFFGDPIAPDBRRU-NSHDSACASA-N 301.350 -0.181 30 20 DBED C#CCCCC(=O)N1CCOC[C@@H]1CNC(=O)CNC(C)=O 1061215839 AQVMCTXKUVMMLF-ZDUSSCGKSA-N 309.366 -0.730 30 20 DBED C=CCCC(=O)NC[C@H]1COCCN1C(=O)Cc1n[nH]c(C)n1 1061405513 DETRKZYIWHJOBC-LBPRGKRZSA-N 321.381 -0.035 30 20 DBED CCNC(=O)CCC(=O)NC[C@@H]1COCCN1C(=O)[C@H](C)C#N 1061420130 VBBQDBCSRPKSSI-VXGBXAGGSA-N 324.381 -0.594 30 20 DBED CCNC(=O)CC(=O)NC[C@H]1COCCN1C(=O)C#CC1CC1 1061518200 JMKAKBHOXIJTRN-ZDUSSCGKSA-N 321.377 -0.730 30 20 DBED C=CCCC(=O)N1CCOC[C@@H]1CNC(=O)C1CN(C(C)=O)C1 1061530002 IDMSPHNCFCYCBG-AWEZNQCLSA-N 323.393 -0.226 30 20 DBED CCC(=O)NCC(=O)N1CCOC[C@H]1CNC(=O)C#CC1CC1 1061570069 SBWQVNNVZBNXJJ-CYBMUJFWSA-N 321.377 -0.730 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1COCCN1C(=O)c1csnn1 1061573263 OQMMANSUSJFNBV-LLVKDONJSA-N 320.374 -0.091 30 20 DBED Cc1cc(C(=O)N2CCOC[C@H]2CNC(=O)[C@@H](C)C#N)cnn1 1061846167 BOIOBLHEIOCRSD-GXFFZTMASA-N 317.349 -0.098 30 20 DBED C=C1CC(C)(C(=O)NC[C@@H]2COCCN2C(=O)CC(=O)NC)C1 1061883197 NUICMLPDWJWZPF-GFCCVEGCSA-N 323.393 -0.178 30 20 DBED Cc1cc(=N[C@H]2CCN(C(=O)C(N)=O)C[C@H]2C)c(C#N)c[nH]1 1063792708 XPASYENGWMVJSK-SKDRFNHKSA-N 301.350 -0.182 30 20 DBED C=CCOCC(=O)N1CCO[C@H](CNC(=O)[C@H]2CCOC2)C1 1064972637 YXRVVWXCJDQMCM-QWHCGFSZSA-N 312.366 -0.431 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)Cc2ccon2)CCO1 1064996731 GPZWMGVTTCEAGS-ZDUSSCGKSA-N 323.349 -0.237 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)C[C@H]2CCNC2=O)CCO1 1065235249 SXCWSAUIMXLOJE-CHWSQXEVSA-N 323.393 -0.178 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)[C@H]2CCNC2=O)CCO1 1065422722 UCPRVDDCOLCGRY-OLZOCXBDSA-N 321.377 -0.875 30 20 DBED C=CCOCC(=O)N[C@H]1CCCN(C(=O)CNC(C)=O)CC1 1065985459 QHDVPVOIRDFVGR-ZDUSSCGKSA-N 311.382 -0.178 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CN(C(=O)CC(=O)N(C)C)CCO2)C1 1068399052 OOFCCEZRXWWYNU-LLVKDONJSA-N 322.365 -0.936 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2cn(C)nn2)C1 1069918510 VIFLBXVGJLCWLR-PWSUYJOCSA-N 302.342 -0.752 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)C2CC(OC)C2)C1 1069953452 FZIGYDLAGPCITF-PQAZSJQKSA-N 303.366 -0.322 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@@H](NC(=O)C#CC(C)C)C1 1070636007 FIZVGBIYJHHFCQ-CQSZACIVSA-N 317.389 -0.108 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)c4cnnn4C)C[C@@]3(C1)O2 1070795342 QTPROMKTHFEPCY-LALPHHSUSA-N 301.350 -0.636 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CN(C(=O)CCOC)C[C@H]1C 1071432463 GWMHGQVIBUJODW-NEPJUHHUSA-N 309.366 -0.875 30 20 DBED C#CCOCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)CC(=O)NC)C1 1072097719 QCNTXVFPUOAWPK-NEPJUHHUSA-N 309.366 -0.875 30 20 DBED N#CCN1CCO[C@H]2CCN(C(=O)c3cc[n+]([O-])cc3)C[C@@H]21 1074158869 VXKVHNKHCQEEGS-KBPBESRZSA-N 302.334 -0.241 30 20 DBED Cn1cc(OCC(=O)N2CC[C@H]3OCCN(CC#N)[C@@H]3C2)cn1 1074321079 DHSBUZMNRFHQSQ-ZIAGYGMSSA-N 319.365 -0.376 30 20 DBED C#CCNC(=O)CC(=O)N1CCC(O)(CNC(=O)C(C)C)CC1 1074555813 JQLLPRYPKLQYCV-UHFFFAOYSA-N 323.393 -0.748 30 20 DBED Cn1c(O)ncc(C(=O)N2CC[C@H]3CN(CC#N)C[C@H]32)c1=O 1076121217 XEUPMFUSPVAIMD-GXSJLCMTSA-N 303.322 -0.844 30 20 DBED C#CCOCCC(=O)N[C@@H](C)CCNC(=O)c1cnn(C)n1 1077386167 AOUYCJRTZUTTBI-NSHDSACASA-N 307.354 -0.520 30 20 DBED Cc1nn(CC(=O)N[C@@H]2CN(CC#N)C[C@H]2O)c2ncccc12 1077429388 PYYYANZYJKFVMF-CHWSQXEVSA-N 314.349 -0.575 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCCC(=O)N2)C1 1077658591 FIZWKMZMJJUZTM-QJPTWQEYSA-N 315.801 -0.041 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2n[nH]cc2Br)C1 1077854258 AKNJPEPFWTVFQG-HTQZYQBOSA-N 314.143 -0.529 30 20 DBED C#CCCN1C[C@@H](NC(=O)CN2CCC(=O)NC2=O)[C@H](C)C1 1080733426 RPLKANKILNSUFG-VXGBXAGGSA-N 306.366 -0.612 30 20 DBED CSCC(=O)NC[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1O 1081236274 AAFWWZZFQRIWHD-JQWIXIFHSA-N 322.390 -0.202 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)c2cnnn2C)C[C@@H]1O 1081442421 VBVZFXLZXCOLJG-YPMHNXCESA-N 319.365 -0.832 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)Cc2ncc[nH]2)C[C@@H]1O 1081463883 TZLHZHUPBRGMPO-STQMWFEESA-N 318.377 -0.453 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(C(=O)COCC2CC2)C[C@@H]1O 1081468450 KEDSJMWTMOFHPT-GJZGRUSLSA-N 320.389 -0.238 30 20 DBED CCOCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C#CC2CC2)C1 1081471533 OZVSKJRFESKTED-UONOGXRCSA-N 308.378 -0.238 30 20 DBED Cc1nocc1C(=O)N1C[C@H](CNC(=O)C#CC2CC2)[C@@H](O)C1 1081472192 WKWROIDFXHSVAY-JSGCOSHPSA-N 317.345 -0.054 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CCNC(=O)C1 1083048468 WDOKWQUQNNXBFT-HZSPNIEDSA-N 305.378 -0.553 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1ccnc2[nH]nnc12 1083139083 HISWHKQLVCWZEJ-WDEREUQCSA-N 313.321 -0.598 30 20 DBED C=CCN1CC[C@H](N2C[C@H](O)[C@H](NC(=O)c3ccoc3)C2)C1=O 1083339080 TXMMRYSLEPTWGT-RDBSUJKOSA-N 319.361 -0.159 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCCN2c2ncccn2)C1 1083539335 RLMCMPCTBIRXPV-UPJWGTAASA-N 316.365 -0.870 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)c2ccc(CNC(C)=O)o2)C1 1083868502 LXMUHYOXLUMUOX-OLZOCXBDSA-N 307.350 -0.123 30 20 DBED C#CCN1CC[C@H](NC(=O)Cn2cc(C3CC3)nn2)[C@@H](O)C1 1090320324 WMDZJRJBVLEMIK-JSGCOSHPSA-N 303.366 -0.660 30 20 DBED C#CCN1CC[C@H](NC(=O)Cc2c(C)nn(C)c2C)[C@@H](O)C1 1090463640 OIZLNKCBJNVHDF-GJZGRUSLSA-N 304.394 -0.236 30 20 DBED Cn1cnc2c(C(=O)N[C@H]3CCN(CC#N)C[C@H]3O)ccnc21 1090566174 JNWOQWXDHKYPFG-NWDGAFQWSA-N 314.349 -0.343 30 20 DBED C=CCN1CC[C@@H](NC(=O)C2(N3CCOCC3)CCC2)[C@@H](O)C1 1090685643 JYIGAMKKQJJMSE-CABCVRRESA-N 323.437 -0.021 30 20 DBED C#CCCN1CC[C@H](NC(=O)Cn2ccccc2=O)[C@H](O)C1 1090797532 CRWQRQQZSFVDER-UONOGXRCSA-N 303.362 -0.577 30 20 DBED CCN(CC)CC(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@@H]1O 1091108373 AEPBGILVNMCSDW-CABCVRRESA-N 317.393 -0.039 30 20 DBED C[C@H](NC(N)=O)C(=O)NC[C@H]1C[C@@H](Nc2cncc(C#N)n2)C1 1091339276 AIDDUYHOEYJDLH-LPEHRKFASA-N 317.353 -0.288 30 20 DBED CNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cnc(C#N)cn1 1092956058 DZDIZTUYGKTMCJ-UTUOFQBUSA-N 314.349 -0.290 30 20 DBED C[C@@H](CC(=O)N1CCN(c2ccc(C#N)nn2)CC1)NC(N)=O 1093178089 QMXDFIWUECUBJO-JTQLQIEISA-N 317.353 -0.556 30 20 DBED N#Cc1ccc(NCCNC(=O)CCN2CCOCC2)nn1 1093732217 HGJCFFLWJROAGN-UHFFFAOYSA-N 304.354 -0.401 30 20 DBED CC[C@@]1(C(=O)NCCNc2nccnc2C#N)CCNC1=O 1094219095 PTXUOUDANXVLPY-CQSZACIVSA-N 302.338 -0.207 30 20 DBED N#Cc1c[nH]ccc1=NCCNC(=O)CN1CCCNC1=O 1094244944 NIFGCWGFLZHWCZ-UHFFFAOYSA-N 302.338 -0.681 30 20 DBED CN1CCO[C@@H](C(=O)NCCCN=c2cc[nH]cc2C#N)C1 1094349360 RXOVWNWIUPLWHV-CQSZACIVSA-N 303.366 -0.376 30 20 DBED CCc1nc(C#N)cc(NCCCNC(=O)CCNC(N)=O)n1 1094427016 VFZKMXWVCJBZCM-UHFFFAOYSA-N 319.369 -0.113 30 20 DBED C[C@@H](C(=O)NCCCNc1nccnc1C#N)N1CCOCC1 1094485309 GAUPASXJBHIQQN-LBPRGKRZSA-N 318.381 -0.013 30 20 DBED N#Cc1cncc(NCCCNC(=O)CCn2cnnn2)n1 1094541221 JSXFRYVLQQCNCT-UHFFFAOYSA-N 301.314 -0.657 30 20 DBED N#CCN1CC(N2C[C@H](NC(=O)Cc3ccon3)CC2=O)C1 1094713480 BTGWZRNSJLTPRT-LLVKDONJSA-N 303.322 -0.858 30 20 DBED C[C@H]1CCN(CC(=O)N[C@@H]2CC(=O)N(C3CN(CC#N)C3)C2)C1 1094786976 HTVQYNPBNYPIQA-QWHCGFSZSA-N 319.409 -0.747 30 20 DBED C=CCN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cn(CC(N)=O)nn1)C2 1095063200 UCXQKSYAMWZTAW-TUAOUCFPSA-N 318.381 -0.468 30 20 DBED N#Cc1cncc(N2CCC(CNC(=O)CNC(N)=O)CC2)n1 1095338988 WSFJPWRSYLVPEL-UHFFFAOYSA-N 317.353 -0.651 30 20 DBED CC(=O)N[C@@H](C)C(=O)NC1CCN(c2ccc(C#N)nn2)CC1 1095387408 CTNCOSWLGTZXLH-JTQLQIEISA-N 316.365 -0.042 30 20 DBED CNC(=O)C1(C(=O)NCCCN(C)c2ccnc(C#N)n2)CC1 1095589046 ROOXQBSKZIMNRT-UHFFFAOYSA-N 316.365 -0.183 30 20 DBED CNC(=O)NCC(=O)N[C@H]1C[C@H](Nc2ccc(C#N)nc2)C1 1097110093 VPLCURXJMQLDOG-HAQNSBGRSA-N 302.338 -0.059 30 20 DBED C[C@H](CNC(=O)[C@@H]1CCC(=O)N(C)C1)N=c1cc[nH]c(C#N)n1 1097907203 FEXPNOJLHMHYTC-GHMZBOCLSA-N 316.365 -0.445 30 20 DBED C[C@H](CNC(=O)[C@H]1CCC(=O)N1C)Nc1nccnc1C#N 1098231197 YWAOFDKTLPOQTN-MWLCHTKSSA-N 302.338 -0.114 30 20 DBED N#CCNCc1cn([C@@H]2CCN(C(=O)Cn3cccn3)C2)nn1 1098611678 OWHNEGHYGNYLET-CYBMUJFWSA-N 314.353 -0.439 30 20 DBED N#CCNCc1cn([C@H]2CCN(C(=O)c3cn[nH]c3)C2)nn1 1098622261 DSFJZDKVPXWSTD-LBPRGKRZSA-N 300.326 -0.298 30 20 DBED CCC(=O)NCC(=O)NCC[C@@H](C)N=c1cc[nH]c(C#N)n1 1098941953 JSBJQWUAEHAHRM-SNVBAGLBSA-N 304.354 -0.397 30 20 DBED C[C@H](CCNC(=O)C1(C(N)=O)CC1)N=c1cc[nH]cc1C#N 1099658010 BDXXYBDHGIKRFJ-SNVBAGLBSA-N 301.350 -0.053 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)CC(F)(F)F)[C@@H](O)C1 1099713887 ZKQZEYVJAIGRRK-ZJUUUORDSA-N 323.315 -0.208 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(CCc2ccnn2C)C[C@H]1O 1099738556 PPJGVNFJFDSSLQ-HUUCEWRRSA-N 322.409 -0.283 30 20 DBED CNC(=O)NCC(=O)NCC[C@@H](C)Nc1ccc(C#N)nn1 1099748136 QIFXSCZPDJUKCB-SECBINFHSA-N 305.342 -0.416 30 20 DBED C=C(Cl)CN1CC[C@H](NC(=O)C2(C(N)=O)CC2)[C@@H](O)C1 1099978739 KQEGBKSVJADCNQ-UWVGGRQHSA-N 301.774 -0.444 30 20 DBED N#Cc1ccc(C(=O)NCC2CC(NCC(=O)NC(N)=O)C2)[nH]1 1100246063 PXYGLNUDPOUTGH-UHFFFAOYSA-N 318.337 -0.821 30 20 DBED C[C@@H](NC1CC(CNC(=O)C#CC2CC2)C1)C(=O)NC(N)=O 1100316137 VQKDUBWCNOSUSU-OIKLOGQESA-N 306.366 -0.532 30 20 DBED CCN(CCNC(=O)[C@]1(C)CNC(=O)C1)c1cnc(C#N)cn1 1100671276 VGMKTBSDVBNLKT-HNNXBMFYSA-N 316.365 -0.183 30 20 DBED CS(=O)(=O)CC(=O)NC[C@H]1CCN(c2ccnc(C#N)n2)C1 1100961758 OXAYFYBMDSETAM-SNVBAGLBSA-N 323.378 -0.665 30 20 DBED C=CCOCC(=O)N[C@H]1CC2(CN(CCO)C2)n2ccnc21 1101614324 RYQUNQLRPOTDIW-LBPRGKRZSA-N 306.366 -0.350 30 20 DBED N#Cc1cncc(N2CC[C@@H](CCNC(=O)CC(N)=O)C2)n1 1102308493 OMAXOFQAGPPLNB-SNVBAGLBSA-N 302.338 -0.444 30 20 DBED CC[C@@H](CNC(=O)Cn1nccn1)Nc1ccc(C#N)nn1 1103214409 QWBWYDLYXFZJOI-JTQLQIEISA-N 300.326 -0.053 30 20 DBED CNC(=O)NC(=O)CNCC[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1C 1104004996 QEJIZKVBXXYZPT-QJPTWQEYSA-N 323.397 -0.324 30 20 DBED N#Cc1ccc(N2CCO[C@H](CNC(=O)CC(N)=O)C2)nc1 1104305591 RZJCROQHIGTKGV-LLVKDONJSA-N 303.322 -0.850 30 20 DBED C[C@@H](CN=c1cc[nH]cc1C#N)N(C)C(=O)Cn1cnnn1 1104447916 RAEQYQIBZDQLKW-JTQLQIEISA-N 300.326 -0.679 30 20 DBED CC#CCNCc1cn(C2CN(C(=O)[C@]3(F)CCOC3)C2)nn1 1105312204 FRFDQVFQNUVOJK-HNNXBMFYSA-N 321.356 -0.097 30 20 DBED COC(=O)NCC(=O)N1CCC(OC2CN(CC#N)C2)CC1 1105690898 CBGBTSIRERFAPQ-UHFFFAOYSA-N 310.354 -0.442 30 20 DBED COC(=O)NCC(=O)NC[C@@H](O)CNc1ncccc1C#N 1105723069 GRLZCLNIPLIBJR-SNVBAGLBSA-N 307.310 -0.802 30 20 DBED N#Cc1nccnc1NC[C@@H](O)CNC(=O)C1=COCCC1 1105743016 WCKKOMFZNZCLGE-LLVKDONJSA-N 303.322 -0.068 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H](O)CN=c2cc[nH]c(C#N)n2)c1 1105808202 JLRQASGNCFNTHH-SNVBAGLBSA-N 311.305 -0.827 30 20 DBED Cc1ncoc1C(=O)NC[C@@H](O)CNc1cnc(C#N)cn1 1105809211 XRBADYCYPPFFHR-JTQLQIEISA-N 302.294 -0.153 30 20 DBED CC(=O)NC(C)(C)C(=O)NC[C@@H](O)CN=c1cc[nH]cc1C#N 1105899016 XHOMERTWXZIULE-LBPRGKRZSA-N 319.365 -0.821 30 20 DBED COC[C@@H](C)CC(=O)NC[C@H](O)CNc1ccc(C#N)nn1 1105940782 JMOCBFDYYOCAKZ-CMPLNLGQSA-N 307.354 -0.090 30 20 DBED C[C@@H](CC(N)=O)C(=O)NC[C@H](O)CNc1ncc(C#N)cc1F 1106060186 PLSULHRFGLWIIK-WCBMZHEXSA-N 323.328 -0.507 30 20 DBED C[C@@H]1CN(C(=O)c2cnon2)C[C@H]1CNCC(=O)NCC#N 1106783147 INSBDSWPGPKGSH-NXEZZACHSA-N 306.326 -0.993 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@@H]1CN(C(=O)c2cnon2)C[C@H]1C 1106785467 NCZATDGXLGPEEC-GRYCIOLGSA-N 319.365 -0.495 30 20 DBED CCCN(C)CC(=O)NCc1cn(C2CN(CC#N)C2)nn1 1107231055 CUYMUWKEHQEWSH-UHFFFAOYSA-N 305.386 -0.384 30 20 DBED CC(C)N1CCO[C@@H](C(=O)NC[C@]2(C)CN(CC#N)CCO2)C1 1108159132 SAMQFYNDSHRUOD-GDBMZVCRSA-N 324.425 -0.174 30 20 DBED CC#CCN1CC(N2C[C@H](NC(=O)C3(COC)CC3)CC2=O)C1 1108557205 RUGGXUDPVLPLEG-CYBMUJFWSA-N 319.405 -0.162 30 20 DBED C[C@@H](CN(C)c1nccnc1C#N)NC(=O)c1cn(C)nn1 1108925493 UTGTYGXANDTPIJ-VIFPVBQESA-N 300.326 -0.269 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1109213001 LMYBLAPGICJMJV-LMOYCYGVSA-N 320.393 -0.325 30 20 DBED N#Cc1nccnc1NC1(CNC(=O)[C@H]2CNC(=O)N2)CC1 1110324431 OFIKWNDRHXUZSQ-SECBINFHSA-N 301.310 -0.910 30 20 DBED CCNC(=O)CC(=O)N[C@@]1(C)CCN(c2ccnc(C#N)n2)C1 1110743978 RFQSZDDJEIMFBC-HNNXBMFYSA-N 316.365 -0.041 30 20 DBED CNC(=O)NCC(=O)N[C@]1(C)CCN(c2cnc(C#N)cn2)C1 1110822616 OZBQWCMGUPUQSC-CQSZACIVSA-N 317.353 -0.638 30 20 DBED C=CCOCC(=O)N(C)[C@H]1CN(c2cc(C)ncn2)C[C@@H]1O 1111175793 UUYFKPKVCRXFFV-STQMWFEESA-N 306.366 -0.004 30 20 DBED CO[C@H](C)C(=O)N[C@@]1(CO)CCCN(c2cncc(C#N)n2)C1 1111336492 QUKSKTQEDFDZFQ-ABAIWWIYSA-N 319.365 -0.169 30 20 DBED C=CCOCC(=O)N(CCO)CCNc1nccnc1C#N 1111445273 ULIJCLNFHOMPAQ-UHFFFAOYSA-N 305.338 -0.216 30 20 DBED N#Cc1nc(=NCCN(CCO)C(=O)c2nccs2)cc[nH]1 1111501341 WQWHDHNWQIPZKI-UHFFFAOYSA-N 318.362 -0.227 30 20 DBED N#Cc1cnc(NCCN(CCO)C(=O)c2cnn[nH]2)c(F)c1 1111585725 JXSRYCRCGGVQSG-UHFFFAOYSA-N 319.300 -0.243 30 20 DBED C#CCNC(=O)CC(=O)N1CCN(Cc2ccnn2C)CC1 1112774417 WGFHGBNIEZIHOL-UHFFFAOYSA-N 303.366 -0.796 30 20 DBED C#CCNC(=O)CC(=O)N1CCN([C@@H](C)c2cnccn2)CC1 1112777627 FWMDUILWIBHVDC-ZDUSSCGKSA-N 315.377 -0.179 30 20 DBED C#CCC1(C(=O)N2CCN(CC(=O)NCC#N)CC2)CCC1 1112953333 RHXDPXJSOPEJFW-UHFFFAOYSA-N 302.378 -0.036 30 20 DBED C=CCCN1CCN(C(=O)CNS(=O)(=O)N(C)C)CC1 1113391648 MTFVXYQQALAETF-UHFFFAOYSA-N 304.416 -0.897 30 20 DBED C[C@@H](CNC(=O)CCn1ccnn1)N(C)c1cnc(C#N)cn1 1113579829 VSOCDZMWGCWQHQ-NSHDSACASA-N 314.353 -0.029 30 20 DBED N#CCNC(=O)CN1C[C@H]2C(NC(=O)CC[C@H]3CCCO3)[C@@H]2C1 1113890798 HKOCUIKYQHEODO-JHJVBQTASA-N 320.393 -0.368 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)c3cn[nH]c3)[C@H]2C1 1113917772 WVCGTLGCXLVALC-DLOVCJGASA-N 301.350 -0.792 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)CC[C@H](C)OC)[C@@H]2C1 1114161888 NQIRTGVIPFNUEG-YNEHKIRRSA-N 307.394 -0.403 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3nccc(C)n3)[C@H]2C1 1114189920 YGPFCPONLGUHHY-IMRBUKKESA-N 315.377 -0.253 30 20 DBED C#CCOCCC(=O)NC1[C@@H]2CN(CC(=O)N[C@@H](C)CC)C[C@@H]12 1114265975 KKVINCGJDYXTEV-BFHYXJOUSA-N 321.421 -0.013 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)C(C)(C)C(N)=O)[C@H]2C1 1114440763 WKDLXAHQBKFTJF-NNYUYHANSA-N 322.409 -0.765 30 20 DBED N#Cc1cccnc1N1C[C@H]2C(CNC(=O)Cn3cnnn3)[C@@H]2C1 1114508710 PMPYPAADPWGXMD-STQMWFEESA-N 324.348 -0.562 30 20 DBED N#CCNC(=O)CN1C[C@H]2C(NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)[C@@H]2C1 1114860298 YWDDNEYGZOKDDN-VEGXAWMVSA-N 318.377 -0.760 30 20 DBED C=CCCOCC(=O)N[C@H]1[C@@H]2CN(Cc3nc(=O)n(C)[nH]3)C[C@@H]21 1115324116 LEAZYXXRUCJTJD-YABSGUDNSA-N 321.381 -0.753 30 20 DBED C=CCO[C@H](C)C(=O)N[C@H]1[C@@H]2CN(Cc3cnn(C)n3)C[C@@H]21 1115332238 LLYOWFZQROJCNF-ZZVYKPCYSA-N 305.382 -0.047 30 20 DBED CS(=O)(=O)N1CCC[C@H]1C(=O)NC1CCN(CC#N)CC1 1116007572 FJQKZINFVHTCHF-LBPRGKRZSA-N 314.411 -0.485 30 20 DBED CCCn1cc(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)nn1 1116433154 QMCKPXRZZVHRLT-WYMLVPIESA-N 318.337 -0.056 30 20 DBED CCN(CCC#N)S(=O)(=O)NCCCn1cc(CO)nn1 1117658855 WWERTDWVNVHJHW-UHFFFAOYSA-N 316.387 -0.770 30 20 DBED C[C@@H](CN(C)C(=O)[C@H]1CNC(=O)N1)N=c1cc[nH]cc1C#N 1120634224 KLKUEQVDXDLTDG-JOYOIKCWSA-N 302.338 -0.685 30 20 DBED COC[C@H](C)C(=O)NC1CC2(CC(NCC(=O)NCC#N)C2)C1 1120808417 YJRMOUZXVLIKQX-KWDKGFIESA-N 322.409 -0.074 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)CCn2cncn2)nc1 1121068219 WGHKDFDQMALCPD-LBPRGKRZSA-N 315.337 -0.476 30 20 DBED Cc1nc(CC(=O)NC[C@@H](CO)Nc2ncccc2C#N)n[nH]1 1121445577 BVJIMRVLIUELGK-NSHDSACASA-N 315.337 -0.489 30 20 DBED COC[C@@H](C)CC(=O)NC[C@H](CO)Nc1ccc(C#N)nn1 1121984994 NUQRDTMNVCRPGJ-CMPLNLGQSA-N 307.354 -0.090 30 20 DBED COC1CC(C(=O)NC[C@H](CO)Nc2cnc(C#N)cn2)C1 1122177736 XPNKUJVHSVEVKD-CKBZRRDASA-N 305.338 -0.338 30 20 DBED Cc1cc(C#N)nc(N[C@H](CO)CNC(=O)CCN(C)C)n1 1122542468 GQIPVGRZCNDADS-LBPRGKRZSA-N 306.370 -0.503 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H]1CC[C@@H](NC(=O)CC(N)=O)C1 1123753022 NBXRONFDKSFNGD-ZYHUDNBSSA-N 301.350 -0.053 30 20 DBED C#CCOCCC(=O)NCCN[C@@H](C)C(=O)NCCCOC 1127027790 ZOFAAAIEIQQGEV-ZDUSSCGKSA-N 313.398 -0.727 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1cnc(N(C)C)cn1 1127279737 RHILMBFXSCBRDG-UHFFFAOYSA-N 306.370 -0.836 30 20 DBED N#CCN1CCn2ncc(CNC(=O)CCCCC(N)=O)c2C1 1128544877 WHYJDNUCPVJEBO-UHFFFAOYSA-N 318.381 -0.116 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@H]1CC(=O)N(C(C)(C)C)C1 1128656526 GECKARINELSYDP-LBPRGKRZSA-N 322.409 -0.911 30 20 DBED N#CCNC(=O)CNCCNC(=O)[C@H]1CCCc2nccn21 1129417806 PGLYCVKEXJYMHA-LLVKDONJSA-N 304.354 -0.894 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@H](n2ccnn2)[C@H](NCCCO)C1 1129829932 QBFAOJXAMBVASY-MCIONIFRSA-N 321.381 -0.960 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@@]12CCCC[C@H]1OCC2 1131211290 BZQNJOHTVZOOJN-CZUORRHYSA-N 307.394 -0.209 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)c1ccc2nnnn2c1 1131284453 FGICHEHSIBTVRO-SNVBAGLBSA-N 317.353 -0.866 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1conc1C(F)(F)F 1131392062 ZUXGPBBRPAKTFW-UHFFFAOYSA-N 319.243 -0.347 30 20 DBED C#CCNC(=O)CNCCNC(=O)CCc1cn(C)nc1C 1134717192 AFOLGZFMKRBHTO-UHFFFAOYSA-N 305.382 -0.884 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)C(=O)N1CCC(C)CC1 1134874241 DVFRYKLNPHBVKW-ZDUSSCGKSA-N 324.425 -0.359 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)CN1C(=O)NC(C)(C)C1=O)NCC#N 1136112846 ZUUJQLCTSMAIKU-VHSXEESVSA-N 309.370 -0.287 30 20 DBED CC#CCN[C@@H](C)C[C@@H](C)NC(=O)c1cn(C)c(=O)nc1O 1146315850 WGBTUVGGNZJQIJ-WDEREUQCSA-N 306.366 -0.004 30 20 DBED N#CCN1CCC2(C1)CN(C(=O)CNC(=O)c1cscn1)C2 1148554688 BARPOXOLIIRIAJ-UHFFFAOYSA-N 319.390 -0.069 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CN(CCN2CCNC2=O)CCCO1 1149405921 FZSHWTREWVSOJI-CHWSQXEVSA-N 323.397 -0.622 30 20 DBED COCCC1(NC(=O)[C@H]2C[C@H]2C(N)=O)CCN(CC#N)CC1 1151313176 ZPFQILSLEOJTFB-NEPJUHHUSA-N 308.382 -0.381 30 20 DBED C=CCOCC(=O)NCCCN[C@H](C)C(=O)NC(=O)NC 1155731557 AYQJJDPFUZNKFQ-SNVBAGLBSA-N 300.359 -0.871 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)C[C@H]2COC(=O)C2)C1=O 1156580153 VQRZOTONGQBHPW-CHWSQXEVSA-N 323.393 -0.178 30 20 DBED C#CCO[C@@H](C)C(=O)NCCCNCc1ncnn1CCF 1157869434 LXSSBHSOCSFLDM-LBPRGKRZSA-N 311.361 -0.118 30 20 DBED N#CCNC(=O)CNCCCNC(=O)c1cc2cnccc2[nH]1 1160984419 OJUNUIINRHRNJJ-UHFFFAOYSA-N 314.349 -0.088 30 20 DBED COCC#CCNCCCNC(=O)[C@]12C[C@H]3C[C@@H](C(=O)N1)[C@H]2C3 1161438106 GOBFJTMYJOPXMD-ZOMKSWQUSA-N 319.405 -0.353 30 20 DBED COCC#CCNCC1(CCNC(=O)c2ncn(C)n2)CC1 1164443740 SSBLPDMUTFIIHU-UHFFFAOYSA-N 305.382 -0.045 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H]2OCCN(CC3CC3)[C@@H]2C1 1176982519 FFOUPOAGWLRWHD-HUUCEWRRSA-N 319.405 -0.162 30 20 DBED CO[C@H]1CCCC[C@H]1C(=O)NCCCNCC(=O)NCC#N 1177255601 OUYAVYUAGJAJPU-OLZOCXBDSA-N 310.398 -0.073 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)Cc2cc[nH]n2)C1 1181801539 HTTXDUAEZSCLOH-WCQYABFASA-N 305.382 -0.167 30 20 DBED C[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)C[C@@]1(C)CNCC#N 1183356665 OUFLIEQXBFBJKX-QMTHXVAHSA-N 307.354 -0.864 30 20 DBED C=CCNC[C@H]1CCN(C(=O)CNS(=O)(=O)NC)C[C@@H]1C 1184893521 WYRBSSUEBPTXDS-NWDGAFQWSA-N 318.443 -0.700 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H](n2cc(CNCCO)nn2)C1 1185898118 AJYRXNNXLBCLEH-WCQYABFASA-N 306.370 -0.317 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H](CC(C)C)C(N)=O)C1 1188461911 QOQTVNITDSXRAS-OLZOCXBDSA-N 324.425 -0.373 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2ncn(C)n2)C1 1189964283 RFANDKLROTVAIJ-NSHDSACASA-N 306.370 -0.736 30 20 DBED C=C(C)CCN(C)[C@H]1CCN(C(=O)CNS(=O)(=O)NC)C1 1191560554 GGMQLIBYLSPMCF-LBPRGKRZSA-N 318.443 -0.461 30 20 DBED CCCC[C@H](C(N)=O)N1C[C@@H](O)[C@H](NC(=O)C#CC(C)C)C1 1192805298 XMTWTZQDSFAWIP-MGPQQGTHSA-N 309.410 -0.149 30 20 DBED COCC#CCN1CCCN(C(=O)C2CS(=O)(=O)C2)CC1 1195935768 RXHARCGZQPPZCH-UHFFFAOYSA-N 314.407 -0.785 30 20 DBED CCC(=O)N[C@@H](C)C(=O)N1CCC(NCC(=O)NCC#N)CC1 1200711114 PBWVYAMHYZXIRR-NSHDSACASA-N 323.397 -0.879 30 20 DBED C=C(Cl)CNC[C@H]1CN(C(=O)[C@@H]2CNC(=O)N2)CCCO1 1201269228 LTSISLPYGRDOGG-QWRGUYRKSA-N 316.789 -0.373 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2cn(C)cn2)[C@H](C)C1 1206869813 YAZNLIWJEIDBAT-VXGBXAGGSA-N 303.366 -0.780 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)[C@@H]2CCN(C)[C@@H]2C)[C@H](C)C1 1206992855 KUXGINAURMKYFJ-KBUPBQIOSA-N 320.437 -0.488 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(CCOCCOC)C[C@H]1OC 1212032092 JLPHALKNZRHYPB-ZIAGYGMSSA-N 316.398 -0.333 30 20 DBED CO[C@@H]1CN([C@@H]2CCCNC2=O)C[C@H]1NC(=O)C#CC(C)C 1212239897 QOPRAONZFRQSBZ-MGPQQGTHSA-N 307.394 -0.260 30 20 DBED COCC#CCN1C[C@@H](NC(=O)CCc2cn[nH]c2)[C@H](OC)C1 1213557551 PIEOHUKWYLJYAQ-HUUCEWRRSA-N 320.393 -0.193 30 20 DBED CC#CCN1C[C@@H](NC(=O)CNC(=O)C(C)(C)C)[C@H](OC)C1 1213841695 PRFOWWXHACQYCV-CHWSQXEVSA-N 309.410 -0.013 30 20 DBED CNC(=O)NC(=O)CN[C@@H]1CN(C(=O)C#CC(C)C)C[C@H]1C 1214581973 DCVYDAPKMZEACG-VXGBXAGGSA-N 308.382 -0.462 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)N1C[C@@H](NCC(=O)NC)[C@H](C)C1 1215802967 ORYHMNROHOFYIZ-MRVWCRGKSA-N 324.425 -0.360 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)COCCC=C)C[C@H]1C 1216913401 LTTKVAGMLITJHN-ZIAGYGMSSA-N 307.394 -0.235 30 20 DBED C=CCO[C@@H](C)C(=O)N1C[C@@H](NCc2nnn(C)n2)[C@H](C)C1 1216930659 PJOVKDIAFXDGKI-GRYCIOLGSA-N 308.386 -0.262 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CCCC(=O)NC 1217665641 OAKLYVJNTUYEKC-UONOGXRCSA-N 307.394 -0.162 30 20 DBED COCC#CCN1CCC(CNC(=O)[C@@H]2CCNC(=O)C2)CC1 1222777784 DSGRPLVPZBGMKU-OAHLLOKOSA-N 321.421 -0.009 30 20 DBED C#CCN1CCC(CNC(=O)Cn2ccc(O)nc2=O)CC1 1223757232 AYNJBSIVJLWMHF-UHFFFAOYSA-N 304.350 -0.590 30 20 DBED C=CCOCC(=O)NC1CCN(CCS(C)(=O)=O)CC1 1226588895 DVBXQANUVYCIOU-UHFFFAOYSA-N 304.412 -0.186 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)[C@H]2CCNC2=O)CC1 1228597698 VQQISOXKBHDROF-LBPRGKRZSA-N 308.382 -0.995 30 20 DBED C#CCN1CCS(=O)(=O)[C@H](CCNC(=O)C(C)(C)F)C1 1230406330 KYSPWVDCMDCUTJ-LLVKDONJSA-N 304.387 -0.027 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@@H]1CN(C)C(=O)c1cncnc1 1233836847 KLESTCVPMBOHDO-TZMCWYRMSA-N 315.377 -0.239 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)c1ccnn1CC 1233857125 ONFSGSKEUBIACS-CYBMUJFWSA-N 317.393 -0.201 30 20 DBED CN(C[C@H]1CCN1CC#N)C(=O)CN1C(=O)CC(C)(C)C1=O 1234356454 KLEYGMYKCYQJIH-LLVKDONJSA-N 306.366 -0.172 30 20 DBED C=CCOCCn1nnnc1N1C[C@H]2CN(C(C)=O)C[C@H]2C1 1262417064 ROHQQMGHKZZWIF-BETUJISGSA-N 306.370 -0.210 30 20 DBED CC[C@@H](C(=O)NC[C@]1(O)CCN(CC#CCOC)C1)N(C)C 1278815705 HNEGUDYQICCXGI-GOEBONIOSA-N 311.426 -0.471 30 20 DBED C=C[C@H](COC)NC(=O)N1CCC[C@H](S(=O)(=O)NC)C1 1320299988 AAWLGMFOZYDBTR-MNOVXSKESA-N 305.400 -0.089 30 20 DBED C[C@@H]1C(=O)N(C)CCN1C(=O)C(=O)NCc1cccc(C#N)c1 1321553140 XKYPKQYSZOUIAC-LLVKDONJSA-N 314.345 -0.136 30 20 DBED CS(=O)(=O)CCCNC(=O)C(=O)NCC1(CC#N)CC1 1321944341 MKEYXQDWSSWCEF-UHFFFAOYSA-N 301.368 -0.653 30 20 DBED CN1CCCN(CCCNC(=O)Cn2cnc(C#N)n2)CC1 1322700182 OQOPDZRPCREVLE-UHFFFAOYSA-N 305.386 -0.706 30 20 DBED CC#CCN(C)C(=O)C(=O)Nc1cnn(CC(=O)NC2CC2)c1 1324542062 XFHVHAILMUIOQX-UHFFFAOYSA-N 317.349 -0.418 30 20 DBED Cc1c([C@@H](C)NC(=O)C(=O)N2CCO[C@H](C#N)C2)cnn1C 1325662909 MXPGAAPHQVFQEU-MWLCHTKSSA-N 305.338 -0.343 30 20 DBED CC#CC[C@H](CO)NC(=O)C(=O)Nc1cnn(CCN(C)C)c1 1326753479 SXBSNOOKWVYMTO-GFCCVEGCSA-N 321.381 -0.726 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CC[C@@H](NC(=O)NC2CC2)C1 1327259703 UTPUPVUSEJBKMZ-ZYHUDNBSSA-N 324.381 -0.634 30 20 DBED C#CCSCCNC(=O)C(=O)N[C@H]1C[C@@H]2CCCCN2C1=O 1327682782 HHBFDJBZTYJXTC-RYUDHWBXSA-N 323.418 -0.261 30 20 DBED C=C[C@H](COC)NC(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 1330992184 MFBRMFMJBVXNOK-GHMZBOCLSA-N 305.400 -0.089 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](CO)C2)CCN1C1CC1 1332007637 WZTFSLJWNHXUQM-DGCLKSJQSA-N 306.366 -0.974 30 20 DBED C=CCS(=O)(=O)CCNC(=O)[C@@H]1CCCS(=O)(=O)C1 1332612217 IICICWWNGQDKIC-SNVBAGLBSA-N 309.409 -0.472 30 20 DBED C=CCN(C)c1nnnn1CC1CCN(S(C)(=O)=O)CC1 1336068961 UWCNZCCPOGIKFB-UHFFFAOYSA-N 314.415 -0.033 30 20 DBED N#C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H]3NC(=O)CC[C@H]3C2)C1 1336528662 DRQOKKUYCRFOOJ-RWMBFGLXSA-N 318.377 -0.124 30 20 DBED Cc1cc(CNC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)ncn1 1345857046 DXIKKGAASUYTAD-AWEZNQCLSA-N 303.322 -0.722 30 20 DBED C[C@@]1(CO)CCCN(C(=O)C(=O)N2CCN(CCC#N)CC2)C1 1348598364 APINKNHABOQKJG-MRXNPFEDSA-N 322.409 -0.335 30 20 DBED C#CCN1CCC[C@@H](NC(=O)C(=O)Nc2ccnc(C)n2)C1 1353464051 FNNGIHFWLARIQD-GFCCVEGCSA-N 301.350 -0.063 30 20 DBED CCn1ncc(C(=O)NCCn2cc(C#N)c(O)nc2=O)c1C 1363286631 JPOSGBDWMIDBCQ-UHFFFAOYSA-N 316.321 -0.225 30 20 DBED CN1CCCN(C(=O)CCn2cc(C#N)c(O)nc2=O)CC1 1411604979 VWPLKBGYWRMCTR-UHFFFAOYSA-N 305.338 -0.625 30 20 DBED COC[C@@H](O)CN[C@H]1C[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 1418623412 SNRLWPFICFHREA-UHTWSYAYSA-N 306.366 -0.008 30 20 DBED CCCN(CCNC(=O)[C@H](C)C#N)C(=O)C1(NC(N)=O)CC1 1429847660 ZZCKYYUCAGEGFR-SNVBAGLBSA-N 309.370 -0.298 30 20 DBED COc1cc(C(=O)N(C)C[C@@H](O)CNC(=O)[C@H](C)C#N)on1 1444642933 KRVQDIOQZXVNFA-BDAKNGLRSA-N 310.310 -0.608 30 20 DBED CN(CCNC(=O)c1cc(C#N)c[nH]1)C(=O)[C@@H]1CCC(=O)N1 1455194084 ULZFMZQXBDIGGI-JTQLQIEISA-N 303.322 -0.647 30 20 DBED CNC(=O)NC1CCN(S(=O)(=O)N(C)[C@H](C)CC#N)CC1 1475391752 QMNMHUPZNDVKBR-SNVBAGLBSA-N 317.415 -0.141 30 20 DBED C[C@H](C#N)C(=O)NC1CCC(N(C)C(=O)Cn2cnnn2)CC1 1486737105 RBEBAJGXNKFMCL-VOMCLLRMSA-N 319.369 -0.281 30 20 DBED CO[C@H](C)C(=O)N1CCC(N(CCO)C(=O)[C@H](C)C#N)CC1 1490153320 XDMIVEOLMHLUMO-VXGBXAGGSA-N 311.382 -0.007 30 20 DBED C[C@@H](CC(N)=O)C(=O)N(C)CCNC(=O)c1cc(C#N)c[nH]1 1495936976 SFRFLFVLCASWPN-VIFPVBQESA-N 305.338 -0.414 30 20 DBED CC(=O)NCC(=O)N1CC[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 1527066443 OCDSHDXRBFRSJK-LLVKDONJSA-N 317.349 -0.399 30 20 DBED C#Cc1cncc(C(=O)N[C@H](C)CNC(=O)CNC(=O)O)c1 1573313158 CKMXQMZWFPKSHQ-SECBINFHSA-N 304.306 -0.435 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 1573584362 UYEZNLNHWNVPGV-QMMMGPOBSA-N 316.325 -0.457 30 20 DBED C=CCOCC(=O)N1C[C@@H]2CN(CCc3cnn[nH]3)C[C@@H]2C1 1575110024 HGEXDQGMAGGJOQ-BETUJISGSA-N 305.382 -0.060 30 20 DBED CC(C)(NC(=O)CCn1cc(C#N)c(O)nc1=O)c1cnn[nH]1 1575300358 PYZWRLIOCMIKQM-UHFFFAOYSA-N 317.309 -0.620 30 20 DBED C#CCN(CC(=O)O)C(=O)CCn1nnc2ccccc2c1=O 1588402354 RUYZAUXZCAZJCA-UHFFFAOYSA-N 314.301 -0.272 30 20 DBED C#CCSCC(=O)N(CCN1CCN(C)CC1)CC(=O)O 1588504881 OFKXLRVIGYOPFS-UHFFFAOYSA-N 313.423 -0.487 30 20 DBED CCN(CCC#N)C(=O)Cn1cc(-c2nn[nH]n2)ccc1=O 1590690751 DOOKQCIIDBLDKV-UHFFFAOYSA-N 301.310 -0.209 30 20 DBED CN(C)c1n[nH]c(CNc2cnc(C#N)c(-c3nn[nH]n3)n2)n1 1591037905 FKGWDRHOLHWAJH-UHFFFAOYSA-N 312.301 -0.675 30 20 DBED CCN(CCC#N)C(=O)CN1CC[C@H](n2cc(C(=O)O)nn2)C1 1596299507 LIHJOFYIYZCBDA-NSHDSACASA-N 320.353 -0.015 30 20 DBED N#C[C@]12CN(C(=O)c3ccc(C(=O)O)o3)C[C@H]1CS(=O)(=O)C2 1601079440 CZWWPSUPIRKDQF-ISVAXAHUSA-N 324.314 -0.012 30 20 DBED C=C1CC(C)(C(=O)N2CC(O)(CNC(=O)[C@@H]3C[C@H]3C(=O)O)C2)C1 1602791299 JXCXBJDZPXAPSE-GHMZBOCLSA-N 322.361 -0.247 30 20 DBED C[C@H](CC(=O)O)C(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1 1604090558 RXDQUNRWSOPFBL-BDAKNGLRSA-N 316.335 -0.937 30 20 DBED N#CCC(=O)N1CCN(C(=O)[C@@H]2CO[C@H](CCC(=O)O)C2)CC1 1605582209 VZDZPAOXQLDJMG-NWDGAFQWSA-N 323.349 -0.159 30 20 DBED CN(C)[S@](C)(=O)=NS(=O)(=O)N(CC#N)CCC(=O)O 1606045839 SYHOWEMPMATSDP-GOSISDBHSA-N 312.373 -0.894 30 20 DBED COC(=O)[C@@H](CCC(=O)O)NS(=O)(=O)N(C)C[C@H](C)C#N 1606505136 LCYJDQAVIMARJP-RKDXNWHRSA-N 321.355 -0.681 30 20 DBED N#Cc1c[nH]ccc1=NCCN(CCO)C(=O)[C@@H]1C[C@@H]1C(=O)O 1608223233 WCLZTOCWEKROBY-NEPJUHHUSA-N 318.333 -0.671 30 20 DBED C#CCNC(=O)C1CCN(CCc2cn(CC(=O)O)nn2)CC1 1609159226 XZVXNOKCRSEESD-UHFFFAOYSA-N 319.365 -0.633 30 20 DBED N#CCNC(=O)CN1CCN(CCNC(=O)c2ccoc2)CC1 1752360988 QSDDETIWODGLBU-UHFFFAOYSA-N 319.365 -0.733 30 20 DBED C=CCNC(=O)CN[C@@H](C)CNC(=O)c1cc2ncccn2n1 1752908734 HWIPIEJJPGKMSK-NSHDSACASA-N 316.365 -0.261 30 20 DBED CN(CCNC(=O)c1cnc2nccn2c1)CC(=O)NCC#N 1753057167 QOOPXZPEXIPRBV-UHFFFAOYSA-N 315.337 -0.969 30 20 DBED C=CCNC(=O)CN1CCC[C@@H]1CNC(=O)Cc1cc[nH]n1 1753097537 PXZYENNACUEPBC-CYBMUJFWSA-N 305.382 -0.165 30 20 DBED C#CCO[C@H](C)C(=O)NCC1CN(Cc2cnn(CC)n2)C1 1753402721 CLLHXJVUSOBLEF-GFCCVEGCSA-N 305.382 -0.116 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C[C@H]1CN2C(=O)c1nccc(C)n1 1753419870 HYGWFPCXNUIOSM-STQMWFEESA-N 315.377 -0.014 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCC1(N[C@H](CC)C(N)=O)CC1 1754515983 JPJKGNCHKFSZKP-OLZOCXBDSA-N 306.410 -0.414 30 20 DBED C=CCNC(=O)CNC1(CNC(=O)Cn2cncc2C)CC1 1754520559 WMEKAIOAKIDHTH-UHFFFAOYSA-N 305.382 -0.268 30 20 DBED C=CCn1cc(C(=O)N(C)C2CN(CCOCCO)C2)nn1 1754583865 OHJXAWZLWRMDEI-UHFFFAOYSA-N 309.370 -0.771 30 20 DBED N#CCNC(=O)CNC[C@@H]1CCCN1C(=O)c1ncccn1 1754619332 VZWYLVMHNAMWNK-NSHDSACASA-N 302.338 -0.689 30 20 DBED C#CCNC(=O)CN1C[C@H]2CN(C(=O)C(C)(C)COC)C[C@H]2C1 1754845157 CMWLRDKUCNSYHS-OKILXGFUSA-N 321.421 -0.201 30 20 DBED Cc1n[nH]cc1C(=O)N(C)CCCN(C)CC(=O)NCC#N 1755041903 ZLQDMJDCBITRRD-UHFFFAOYSA-N 306.370 -0.248 30 20 DBED C#CCN1CC[C@H](NC(=O)CCNS(C)(=O)=O)C(C)(C)C1 1755139278 VDIGZKRVAUYHPN-LBPRGKRZSA-N 315.439 -0.224 30 20 DBED C[C@H]1C[C@@H](NC(=O)CCCC(N)=O)CCN1CC(=O)NCC#N 1755166536 YOWYGURGPBMJTF-RYUDHWBXSA-N 323.397 -0.749 30 20 DBED Cc1n[nH]cc1C(=O)NC[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@H]12 1755427096 YVLHWGGPFXPOST-XYYAHUGASA-N 316.365 -0.735 30 20 DBED C#CCCCC(=O)NC[C@H](CO)NC(=O)c1cc(CC)n(C)n1 1756515800 PUTQKIKVRFNFTE-GFCCVEGCSA-N 320.393 -0.007 30 20 DBED C=CCCOCC(=O)N1CC[C@@H](CNC(=O)C(N)=O)[C@@H](C)C1 1756943767 AUTIWKMFTADVEC-RYUDHWBXSA-N 311.382 -0.335 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1 1757348035 RNEHJKNGFUBSIR-XQQFMLRXSA-N 320.393 -0.272 30 20 DBED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)N(C)CC)[C@H]2C1 1790557128 YLZIGNOVPMRWOE-AJNGGQMLSA-N 321.421 -0.061 30 20 DBED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C)COC3)C[C@@H]21 1790789059 MAWVWIYEPTVSDB-AVGNSLFASA-N 306.362 -0.364 30 20 DBED CCC(=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CC1 1795413120 PFJDQBOSRVJWCE-PTEHBNRSSA-N 319.361 -0.141 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccccn1)C2 1800452114 VJOVMVMVEJFNOQ-FVCICTRLSA-N 313.357 -0.153 30 20 DBED CN(C)C(=O)C(=O)N1CCCC12CN(C(=O)C1(C#N)CCC1)C2 1842838777 WEAHSUYZUQQANF-UHFFFAOYSA-N 318.377 -0.028 30 20 DBED C/N=C(/NCCNS(C)(=O)=O)NCc1sc(C)nc1C 85456000 IREMECXYRUWELX-UHFFFAOYSA-N 319.456 -0.026 30 20 DBED N#C[C@@H]1CN(C(=O)Cn2c(=O)[nH]c3ccccc3c2=O)CCO1 106048428 GAIPWSMAXVSDBJ-SNVBAGLBSA-N 314.301 -0.559 30 20 DBED N#Cc1ccc(F)cc1CN1CCN2C(=O)C(=O)NC[C@H]2C1 152952483 LPHBHEMSBCRMLV-ZDUSSCGKSA-N 302.309 -0.160 30 20 DBED N#Cc1ncccc1S(=O)(=O)N1CCN2C(=O)CC[C@H]2C1 236415035 JXXZEOAYJFYJLX-JTQLQIEISA-N 306.347 -0.051 30 20 DBED C/N=C(/NCc1ccnn1C)N1CCN(C(C)(C)C(N)=O)CC1 261823640 USMXYIYPAPIIER-UHFFFAOYSA-N 321.429 -0.623 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H](OC)C2)C1=O 263956012 MVLHQSWVAGVRJY-JTQLQIEISA-N 309.322 -0.399 30 20 DBED N#Cc1cc([N+](=O)[O-])cnc1N1CCN(S(N)(=O)=O)CC1 264421704 AHKRSMKONIEXQV-UHFFFAOYSA-N 312.311 -0.813 30 20 DBED CN(CCC#N)C(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 266303313 UMZVTIXPAHHHPA-AAXDQBDMSA-N 305.334 -0.089 30 20 DBED N#Cc1cccc(NC(=O)C(=O)N2CCN3C(=O)NC[C@@H]3C2)c1 267613040 CYEFMDCPGXFEOT-GFCCVEGCSA-N 313.317 -0.267 30 20 DBED Cc1cccc(=O)n1C[C@@](C)(O)C(=O)N1CCO[C@H](C#N)C1 280758566 COQIDGVCJQSCBJ-IUODEOHRSA-N 305.334 -0.341 30 20 DBED COCCn1cc(C/N=C(\N)NCCCN2CCOCC2)cn1 283899163 UNRYHLNXCJXXTI-UHFFFAOYSA-N 324.429 -0.344 30 20 DBED N#Cc1ccc(CS(=O)(=O)N2CCO[C@H](C(N)=O)C2)cc1 288429796 SRGPMKDPWOUKOV-LBPRGKRZSA-N 309.347 -0.426 30 20 DBED CCC[C@@H]1CN(S(=O)(=O)N2CCO[C@H](C#N)C2)CCO1 336941771 JXXGMZXUYXXLQW-VXGBXAGGSA-N 303.384 -0.044 30 20 DBED CCC[C@H]1C(=O)NCCN1S(=O)(=O)N1CCO[C@@H](C#N)C1 336953115 WIIKWIQQTNNPRL-QWRGUYRKSA-N 316.383 -0.944 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@@H]1C=C[C@H](CO)C1 337071208 ORDPAVQOBIOCQY-NWDGAFQWSA-N 303.384 -0.380 30 20 DBED C=CCOCCN[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 339035973 BIVVLFCMKSVLHO-CHWSQXEVSA-N 304.412 -0.724 30 20 DBED Cc1ccc(C(=O)NCC(=O)NCC#N)cc1S(C)(=O)=O 343525115 NNLDUZLXVTZEMH-UHFFFAOYSA-N 309.347 -0.232 30 20 DBED COC(=O)CCN1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1=O 346815918 CABLIULGZIKWQJ-SNVBAGLBSA-N 304.306 -0.220 30 20 DBED COC(=O)[C@@H](c1cccc(C#N)c1)N1CCN(C(=O)CO)CC1 348306096 XVFONHDHWIQFEV-OAHLLOKOSA-N 317.345 -0.091 30 20 DBED C=CCNC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 361696612 JNKSJLSYIWJJPS-UHFFFAOYSA-N 316.361 -0.141 30 20 DBED C#CCCS(=O)(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1 367946830 CHKHZZGBORHMBL-GFCCVEGCSA-N 320.436 -0.161 30 20 DBED C=CCNC(=O)CNC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 378519535 LXYDYSXCBCUTAC-GFCCVEGCSA-N 316.361 -0.152 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CC[C@H](C(=O)O)C2)nn1 424486077 HHFBYTZSIVMBPB-VIFPVBQESA-N 307.310 -0.987 30 20 DBED C=CCn1cc(CNC(=O)NCc2nnnn2CC2CC2)nn1 425497271 CIRZYAQGZUVCEJ-UHFFFAOYSA-N 317.357 -0.140 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC2C[C@@H]3CC[C@H](C2)N3)C1=O 428624492 UNUREIZKUHDWAA-ZACCUICWSA-N 320.349 -0.638 30 20 DBED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1cn(CCO)c(=O)nc1O 437529607 UJIVIWJQGLGPOW-ZYHUDNBSSA-N 323.349 -0.348 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)/C=C\[C@@H]2CCOC2)CC1 491523479 FHPSNDTYTMGUGA-VQTKUKTRSA-N 305.378 -0.527 30 20 DBED N#Cc1ccc(S(=O)(=O)CCNCCNC(=O)C2CC2)nc1 520797975 MKFVFXCLORWPOB-UHFFFAOYSA-N 322.390 -0.157 30 20 DBED COc1cc(C#N)ccc1S(=O)(=O)N[C@@H](CCO)C(=O)O 548529634 UAHLVXFEFUKPBX-VIFPVBQESA-N 314.319 -0.319 30 20 DBED CNC(=O)[C@H](C)NC(=O)C(=O)Nc1ccc(C#N)cc1OC 551400360 MUYZKBRQJZPMCC-QMMMGPOBSA-N 304.306 -0.244 30 20 DBED C[C@@H](CNC(=O)C(=O)NC1CCN(CC#N)CC1)N(C)C1CC1 587872861 JBUCMJSOPSIKBI-LBPRGKRZSA-N 321.425 -0.311 30 20 DBED CCn1cc(NC(=O)C(=O)N2CCN(CCC#N)CC2)cn1 602077726 HWKWEOJMPRAPQP-UHFFFAOYSA-N 304.354 -0.101 30 20 DBED CN(CCNS(C)(=O)=O)S(=O)(=O)c1cccnc1C#N 690928304 WCGMRIMROLSQBI-UHFFFAOYSA-N 318.380 -0.877 30 20 DBED CN(C(=O)COC(=O)c1cn(C)c(=O)n(C)c1=O)C(C)(C)C#N 735154469 YIJJPFWYUKLTOK-UHFFFAOYSA-N 322.321 -0.999 30 20 DBED C#CCNC(=O)[C@@H](C)OC(=O)c1ccc(S(N)(=O)=O)nc1 762872679 HKVNMRGKWTUYIW-MRVPVSSYSA-N 311.319 -0.976 30 20 DBED CS(=O)(=O)N1CCC[C@H]1C(=O)OC1CCN(CC#N)CC1 770780077 AAUAJPBLQVSDMR-LBPRGKRZSA-N 315.395 -0.058 30 20 DBED C#C[C@@H](NC(=O)C(=O)NCCCN1CCOCC1)[C@@H]1CCCO1 774471953 RVZHJKRJNGAJMO-KGLIPLIRSA-N 323.393 -0.878 30 20 DBED C#CCOCCNC(=O)N[C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O 784550011 LWQBKWJXXCGIGM-YPMHNXCESA-N 319.365 -0.137 30 20 DBED C#CCC[C@@H](O)CNS(=O)(=O)N1CCC(C(=O)OC)CC1 798486826 KNKGHJIMFNLBRX-GFCCVEGCSA-N 318.395 -0.520 30 20 DBED C=CCN1CC[C@@H](OC(=O)c2cn(CC(=O)N(C)C)nn2)C1=O 798603748 FWDUDICAVMNOSQ-LLVKDONJSA-N 321.337 -0.690 30 20 DBED COCCN(CCC#N)S(=O)(=O)NCC(=O)OC(C)C 800045304 GWGIJKZLRIKAAJ-UHFFFAOYSA-N 307.372 -0.366 30 20 DBED C#CCC[C@H](O)CNC(=O)c1cc(S(N)(=O)=O)oc1C 803355227 OQAPDLGFNYBXCR-VIFPVBQESA-N 300.336 -0.260 30 20 DBED C#CCCS(=O)(=O)N1CCC(CNS(C)(=O)=O)CC1 808312236 SNUFCXPXFDJKEO-UHFFFAOYSA-N 308.425 -0.399 30 20 DBED C#C[C@@H](NC(=O)C(=O)N1CCN(CCOC)CC1)[C@H]1CCCO1 809307161 ZQQKJEOUTCAZMF-ZIAGYGMSSA-N 323.393 -0.926 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCC[C@H](CC(N)=O)C1)[C@H]1CCCO1 809313070 QIOBFUCVVGGPDD-FRRDWIJNSA-N 321.377 -0.603 30 20 DBED O=C1N[C@H](C(F)(F)F)CC[C@H]1C(=O)N[C@@H]1CCCN(O)C1=O 820471291 RMTNBLRSAAHKCC-RNJXMRFFSA-N 323.271 -0.060 30 20 DBED C[C@H](Cc1ccc(C#N)cc1)C(=O)NS(=O)(=O)CC(N)=O 847679438 PDIDZKZBUKKPLB-SECBINFHSA-N 309.347 -0.332 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)Nc1cc(N(C)C)ncn1 850726267 CLWJWTINOOULGG-UHFFFAOYSA-N 319.365 -0.021 30 20 DBED C#C[C@@](C)(CC)NCC(=O)NCCCN(C)S(C)(=O)=O 852102809 QKQSEHGEIQSTDA-ZDUSSCGKSA-N 303.428 -0.224 30 20 DBED C#CCn1cc(CNC(=O)Cn2cc(C(=O)OC)cn2)cn1 861365282 CTPHYHIHHOCYLX-UHFFFAOYSA-N 301.306 -0.184 30 20 DBED CN(C(=O)c1nc[nH]n1)[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 937197379 FXPIVBRRGUHCGL-NSHDSACASA-N 313.321 -0.009 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](NC(=O)Cn2ccccc2=O)C1 940372474 ASKXZLQWBRILKB-NWDGAFQWSA-N 302.334 -0.275 30 20 DBED C[C@@H]1CN(CC#N)CC[C@H]1NC(=O)Cn1ccc(O)nc1=O 942315729 WKNWSSXJPYERGS-GHMZBOCLSA-N 305.338 -0.701 30 20 DBED CC#CCN1CC[C@H](NC(=O)CN2C(=O)CNC2=O)[C@@H](C)C1 944790311 PIQYFLKLBGTQEY-RYUDHWBXSA-N 306.366 -0.612 30 20 DBED N#Cc1cc(C(=O)N2C[C@H]3C[C@H]2[C@@H]3NC(=O)c2cnon2)c[nH]1 947822523 DHTHVTRLUOGHSF-JFUSQASVSA-N 312.289 -0.088 30 20 DBED Cn1cnc(C(=O)N2CC[C@@H]2CNC(=O)c2c[nH]c(C#N)c2)n1 949490534 CEQYECCKWLLYPT-LLVKDONJSA-N 313.321 -0.341 30 20 DBED N#CCN1CCOC2(CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)C1 949515200 DTPMYTRIUUKLEM-LBPRGKRZSA-N 306.366 -0.518 30 20 DBED CCN(C(=O)c1c[nH]c(C#N)c1)C1CN([C@@H]2CCNC2=O)C1 949918814 FNCYHPNHJJCNBH-CYBMUJFWSA-N 301.350 -0.079 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](C2CCN(C(=O)C(N)=O)CC2)C1 952305630 VAXRRXCDBWKSJV-JQWIXIFHSA-N 306.366 -0.282 30 20 DBED CCN1CCO[C@H](C(=O)N(C)C2CN(C(=O)C#CC3CC3)C2)C1 954424962 NYDDMCLKNKKSBJ-HNNXBMFYSA-N 319.405 -0.210 30 20 DBED CN1C[C@H](C(=O)NC[C@@H]2CCCN2C(=O)C#CC2CC2)CC1=O 956007199 YBFDZKBHRRKIBG-KGLIPLIRSA-N 317.389 -0.015 30 20 DBED COCCn1ncc(C(=O)NC[C@@H]2CN(CC#N)C[C@@H]2O)c1C 958068157 FCIQTCKFGAAOKQ-OCCSQVGLSA-N 321.381 -0.616 30 20 DBED C=CCN1CCN(S(=O)(=O)C2CN(C(=O)C3CC3)C2)CC1 961077760 WSKJFVRWKYVLRQ-UHFFFAOYSA-N 313.423 -0.259 30 20 DBED N#CCN1C[C@H]2C(NC(=O)[C@H]3CCc4nncn4CC3)[C@@H]2C1 961270252 SQCMIEHPYUQBSN-QJPTWQEYSA-N 300.366 -0.199 30 20 DBED C[C@H](C#N)C(=O)N1CCOC2(CN(C(=O)c3cnsn3)C2)C1 965474968 TXQYSUHEDHSAEV-SECBINFHSA-N 321.362 -0.249 30 20 DBED CC#CCN1CC[C@@H](C)[C@H](NC(=O)CN2CCNC(=O)C2)C1 967725398 UBTXFYRSRXTIPB-ZIAGYGMSSA-N 306.410 -0.732 30 20 DBED CCN(C(=O)c1c[nH]c(=O)cn1)C1CN(C(=O)[C@@H](C)C#N)C1 968284881 QEGGYRFIJGPUCA-VIFPVBQESA-N 303.322 -0.398 30 20 DBED C#CCCN1CC([C@H](C)NC(=O)c2cc(=O)n3[nH]cnc3n2)C1 970736676 FKDQJFWZGYZCAQ-JTQLQIEISA-N 314.349 -0.509 30 20 DBED CN([C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1)[C@@H]1CCNC1=O 971367217 RHIHYSXCWYNRDX-DGCLKSJQSA-N 301.350 -0.079 30 20 DBED C=CCN(C)[C@H]1CCN(C(=O)CCc2nnc(O)nc2O)C1 971852411 AOXBOTQOVAYVDK-JTQLQIEISA-N 307.354 -0.066 30 20 DBED CC#CCN1CCO[C@]2(CCN(C(=O)[C@H]3CCCC(=O)N3)C2)C1 972423679 DGIUDMZYHRDDQU-RHSMWYFYSA-N 319.405 -0.018 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)c3ccc(C(N)=O)o3)[C@H]2C1 976901215 XBKGCIFNKWKXCG-APOZVJGGSA-N 316.317 -0.275 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)C(N)=O)nc1 977026439 QJYCMGGSVQCNLH-VXGBXAGGSA-N 314.345 -0.295 30 20 DBED N#Cc1cc(C(=O)N[C@H]2CCCCCN(C(=O)C(N)=O)C2)c[nH]1 987139998 MYAYJLDCOAEFIA-NSHDSACASA-N 317.349 -0.127 30 20 DBED N#Cc1c[nH]c(C(=O)NC2CN(C(=O)[C@@]34COC[C@@H]3C4)C2)c1 990704157 PZKJMOXJQOQSFE-BONVTDFDSA-N 300.318 -0.137 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)c2ccc(C(N)=O)s2)C1 995659814 YKXBBVVSOVUUDS-ZETCQYMHSA-N 306.347 -0.053 30 20 DBED Cn1nnc(CN[C@@H]2CCCN(C(=O)c3ccc(C#N)[nH]3)C2)n1 998945685 AACLXFSIDNNOLK-LLVKDONJSA-N 314.353 -0.196 30 20 DBED N#Cc1cc(C(=O)N2CC(CNC(=O)[C@H]3COCCO3)C2)c[nH]1 1000999721 KJLNBMSQYHNNPI-CYBMUJFWSA-N 318.333 -0.510 30 20 DBED CC#CCN1CCC[C@H](NC(=O)CN2CCC(=O)NC2=O)C1 1009103644 MPDMSSHOFSWDQD-LBPRGKRZSA-N 306.366 -0.468 30 20 DBED C#Cc1cncc(C(=O)N2CCN(C(=O)Cn3nccn3)CC2)c1 1011187594 AVJKEUJGGGHLHQ-UHFFFAOYSA-N 324.344 -0.361 30 20 DBED C#CCN1CCC2(CC1)C[C@H]2NC(=O)[C@H]1COCCN1C(C)=O 1016985215 IVNNGBOSZLJCTP-HUUCEWRRSA-N 319.405 -0.162 30 20 DBED N#Cc1cccc(CN[C@H]2C[C@@H](NC(=O)Cn3cnnn3)C2)c1 1021815129 GMQSAHFLHVMYJV-OKILXGFUSA-N 311.349 -0.018 30 20 DBED C#CCCN1CC[C@H](CNC(=O)c2cnc(O)n(C)c2=O)C1 1028734185 SMQWBTXBPUHQQD-LLVKDONJSA-N 304.350 -0.439 30 20 DBED C=C(Cl)CN1CC(NC(=O)CN2C(=O)NC(=O)C2(C)C)C1 1031201889 OLPABDSVJRSPFU-UHFFFAOYSA-N 314.773 -0.130 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)c3[nH]cnc3C)C2)C1=O 1031490217 AXKOELGESPOHGK-GFCCVEGCSA-N 303.366 -0.081 30 20 DBED Cn1nnc2cc(C(=O)NC[C@H]3CN(CC#N)CCO3)cnc21 1035445478 CNASKQZGOFCQFS-NSHDSACASA-N 315.337 -0.683 30 20 DBED C#CCCN1CCO[C@H](CNC(=O)[C@@H]2CN(C(C)C)CCO2)C1 1035484059 WSCWGZGGTQKJNS-CVEARBPZSA-N 323.437 -0.064 30 20 DBED Cc1ccc(=O)n(CC(=O)N2CC[C@@H]3[C@@H](CCN3CC#N)C2)n1 1036874541 KUHZDDBGHAFVTA-UONOGXRCSA-N 315.377 -0.002 30 20 DBED N#Cc1ccc(CN2CC[C@H]2CNC(=O)[C@@H]2CNC(=O)N2)cc1 1038655201 VEJWLOXXGOQQMQ-KBPBESRZSA-N 313.361 -0.070 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2CCN2Cc2nnnn2C)cn1 1038942032 QANZWUXINFNTKJ-CYBMUJFWSA-N 311.349 -0.409 30 20 DBED C#CCOCCC(=O)NC[C@]1(O)CCN(C(=O)c2ccon2)C1 1039719007 LLVAZTFCKMWYRM-OAHLLOKOSA-N 321.333 -0.592 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)CCc2cnc[nH]2)C1 1040143874 TXQXZCALOSETMN-ABAIWWIYSA-N 319.365 -0.418 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(O)(CNC(=O)[C@@H](C)OCC)C1 1041627825 QRLJCPQUZFLCOR-BXUZGUMPSA-N 314.382 -0.572 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)[C@@H](C)COC)C1 1042035690 RULSVUYQGJKNLC-RYUDHWBXSA-N 314.382 -0.451 30 20 DBED C=CCC1(C(=O)N2CC(O)(CNC(=O)CC(=O)NC)C2)CCC1 1042727409 ISPOESKMWJXBQT-UHFFFAOYSA-N 323.393 -0.442 30 20 DBED CO[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1NC(=O)c1ccon1 1042774656 TZSVEADXSZUQQQ-GHMZBOCLSA-N 314.305 -0.030 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)C(C)(C)C=C)C1 1043039396 BWNJKWKKUCFDGV-LBPRGKRZSA-N 308.378 -0.074 30 20 DBED C#Cc1cncc(C(=O)N(C)C2CN(Cc3nnn(C)n3)C2)c1 1043821390 GHVQPXGJKXVNAM-UHFFFAOYSA-N 311.349 -0.457 30 20 DBED Cc1cc(C(=O)N[C@@H]2CN(c3cncc(C#N)n3)C[C@@H]2O)on1 1043853690 FDENMDKJWQALNR-MNOVXSKESA-N 314.305 -0.376 30 20 DBED C#CCN[C@@H]1CCN(C(=O)CN2C(=O)NC(=O)C2(C)C)[C@H](C)C1 1044809158 OFVHTBOKBKMBDS-VXGBXAGGSA-N 320.393 -0.081 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)CCn2ccnc2)C1 1045559598 MSYVPDQEKMROEF-LLVKDONJSA-N 305.338 -0.878 30 20 DBED N#CCN1CCC2(CC1)CO[C@@H](CNC(=O)[C@@H]1COC(=O)N1)C2 1045669980 KLQOWECXOQCCAA-NEPJUHHUSA-N 322.365 -0.394 30 20 DBED N#Cc1cnc(N[C@H]2C[C@H](CNC(=O)[C@H]3CNC(=O)N3)C2)cn1 1047009837 VNVRQPJTDLDOEZ-FXPVBKGRSA-N 315.337 -0.664 30 20 DBED C#CCN1C[C@H]2C[C@H](NC(=O)CN3CCC(=O)NC3=O)C[C@H]1C2 1047180775 OPNQOINUNKVNRQ-RWMBFGLXSA-N 318.377 -0.469 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2cc(=O)c(OC)co2)C1 1047458008 DOUFDDWIKQSTSD-AAEUAGOBSA-N 320.345 -0.211 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2COCCN2CCCC)C1 1047469859 AALCECGBQGQAPO-XHSDSOJGSA-N 323.437 -0.376 30 20 DBED CN(C(=O)C1(N2CCOCC2)CCC1)[C@H]1CN(CC#N)C[C@@H]1O 1047580615 NOAMMSQZISXZGS-KBPBESRZSA-N 322.409 -0.732 30 20 DBED C#CCN1CCC(C(=O)N(C)[C@H]2CN(CC#C)C[C@@H]2O)CC1 1047638478 UQDZIUMGHBOLEJ-HOTGVXAUSA-N 303.406 -0.532 30 20 DBED CN(C)[C@@H](Cn1cccn1)C(=O)N1C[C@@H]2CN(CC#N)C[C@@H]2C1 1048860987 IGKQNCHXVNVLQO-ZNMIVQPWSA-N 316.409 -0.273 30 20 DBED C=CCCCC(=O)N(C)[C@H]1CN(C(=O)c2cnnn2C)C[C@@H]1O 1049355864 KJZDKVZBALPPCP-STQMWFEESA-N 321.381 -0.185 30 20 DBED C#CCCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1nnc(O)nc1O 1049572821 OLGHOQBEIHYSRU-WDEREUQCSA-N 317.349 -0.015 30 20 DBED C=CCN1C[C@@H]2CCCN(C(=O)CN3C(=O)CN(C)C3=O)[C@@H]2C1 1050198200 DLCITLUSVUBBQZ-QWHCGFSZSA-N 320.393 -0.011 30 20 DBED C[C@H](NC(=O)C(N)=O)[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 1050404036 MXXLSICVSBOCIK-WPRPVWTQSA-N 303.322 -0.662 30 20 DBED C=CCN1CCC2(CC1)CN(C(=O)[C@@H]1CCS(=O)(=O)N1)C2 1050758602 JQWDKDIVIQINOQ-LBPRGKRZSA-N 313.423 -0.212 30 20 DBED CNC(=O)CN1CCOC[C@H]1CNC(=O)c1ccc(C#N)[nH]1 1050872129 KPMNQFHHKRLDIW-LLVKDONJSA-N 305.338 -0.937 30 20 DBED N#Cc1ccc(N2CC[C@H](NC(=O)c3nc[nH]n3)[C@@H](O)C2)nc1 1051711300 IDOORFGPZZDGCM-QWRGUYRKSA-N 313.321 -0.559 30 20 DBED CC#CCN1CCC[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)CC1 1052454982 LOGNACIYINSESF-RYUDHWBXSA-N 306.366 -0.422 30 20 DBED CNC(=O)NCC(=O)NC[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C 1052555261 XGUFPUUJHBIOJB-DGCLKSJQSA-N 320.393 -0.461 30 20 DBED C=CCCN1CC2(C1)CN(C(=O)CN1CCOCC1)CCO2 1053226864 ZIOCKUCZYRUJOC-UHFFFAOYSA-N 309.410 -0.192 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)c3cnn4c3CCC4)CO2)C1 1053823839 RDCVKSIAIWZIMH-NSHDSACASA-N 301.350 -0.074 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@](CO)(NC(=O)Cc2ccon2)C1 1055847111 HNFOXUTUTFGGCW-IAQYHMDHSA-N 320.349 -0.154 30 20 DBED Cc1c[nH]nc1C(=O)N[C@]1(CO)CCCN(C(=O)[C@H](C)C#N)C1 1055934315 CAOKKJLBYYYEJU-MEBBXXQBSA-N 319.365 -0.039 30 20 DBED N#Cc1ccc(N2C[C@H]3[C@H](NC(=O)Cc4cncnc4)[C@H]3C2)nn1 1056191567 RBKBBSAUYBQNDY-VIKVFOODSA-N 321.344 -0.068 30 20 DBED N#Cc1nccnc1N1C[C@H]2C(NC(=O)[C@@H]3CCC(=O)N3)[C@@H]2C1 1056261771 HAKVFCKVOZGUES-BBBLOLIVSA-N 312.333 -0.822 30 20 DBED N#CCSCC(=O)N1CC[C@@H]2[C@H]1CCCN2C(=O)C(N)=O 1056537344 JIULBHSUSSEALQ-NXEZZACHSA-N 310.379 -0.680 30 20 DBED N#Cc1nccnc1N[C@@H]1CCN(C(=O)CCn2cnnn2)C1 1056686315 CLMQDYTWJJQPTN-SNVBAGLBSA-N 313.325 -0.562 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)[C@@H](C)n1cncn1 1057384089 RBKRWOSMRHWBRE-CYBMUJFWSA-N 321.381 -0.420 30 20 DBED C#CCO[C@H](C)C(=O)N(CCO)CCNC(=O)c1cncn1C 1057584903 RQJJOHCJXSMHDA-GFCCVEGCSA-N 322.365 -0.991 30 20 DBED CN1CC[C@H](C(=O)N[C@H]2CCN(c3ccc(C#N)nn3)C2)C1=O 1058514589 LRBYNAHOPZBKBX-NWDGAFQWSA-N 314.349 -0.479 30 20 DBED N#CCSCC(=O)NCCN(CCO)C(=O)c1ncccn1 1058520427 HZRDMDIFEBVUMK-UHFFFAOYSA-N 323.378 -0.716 30 20 DBED Cc1cc(=N[C@H]2CCN(C(=O)[C@H]3CCNC3=O)C2)c(C#N)c[nH]1 1059020196 WWVWCVPCEWQAKL-STQMWFEESA-N 313.361 -0.168 30 20 DBED CN1C(=O)CC[C@H]1C(=O)N1CC[C@H](Nc2cncc(C#N)n2)C1 1059030454 KZLZYDIJHOLHEE-JQWIXIFHSA-N 314.349 -0.018 30 20 DBED N#Cc1cncc(NC[C@H]2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)n1 1060991889 LMXYXTQDGHMQPB-JLLWLGSASA-N 314.349 -0.270 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCOC[C@@H]1CNC(=O)CCOC 1061171842 IENLZZXPLNBWAA-STQMWFEESA-N 312.366 -0.595 30 20 DBED COCC(=O)NC[C@@H]1COCCN1C(=O)c1c[nH]c(C#N)c1 1061195495 JDZPADBVZLIQKL-GFCCVEGCSA-N 306.322 -0.510 30 20 DBED C#CCCCC(=O)N1CCOC[C@H]1CNC(=O)c1ncn(C)n1 1061552769 OQWICZKEQMGKJC-GFCCVEGCSA-N 319.365 -0.424 30 20 DBED CCNC(=O)CCC(=O)N1CCOC[C@H]1CNC(=O)[C@@H](C)C#N 1061848306 XYUNTRHTWSKZHV-NWDGAFQWSA-N 324.381 -0.594 30 20 DBED C=CCOCC(=O)NCC1(NC(=O)[C@H]2COCCO2)CCC1 1062702414 PNFHXXFKQAHFPJ-GFCCVEGCSA-N 312.366 -0.241 30 20 DBED C=C[C@](C)(O)CC(=O)NC1(CNC(=O)CC(=O)NC)CCC1 1062843023 OIOWWMQGOWSCSO-AWEZNQCLSA-N 311.382 -0.395 30 20 DBED N#Cc1cncc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)c2cncnc2O)n1 1064310431 VXFKNPQXOGNZRV-WLTAIBSBSA-N 323.316 -0.149 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)Cn2cccn2)CCO1 1064855496 VLPWVIJBXBVITC-ZDUSSCGKSA-N 322.365 -0.571 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CN(C(=O)C2CCN(C)CC2)CCO1 1065305304 GBQZYWIJTWUPLS-GXTWGEPZSA-N 322.409 -0.169 30 20 DBED C[C@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1Nc1nccnc1C#N 1067176973 SIVWDBBRQWCHSV-WCBMZHEXSA-N 313.325 -0.556 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1COC2(C1)CN(C(=O)c1ncccn1)C2 1069001928 ALCKTBVBRFSJQR-GHMZBOCLSA-N 315.333 -0.264 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1COC2(C1)CN(C(=O)Cc1cnoc1)C2 1069007094 AMEBBIQQPVMTHB-PWSUYJOCSA-N 318.333 -0.137 30 20 DBED Cc1cc(C(=O)N[C@@H]2CN(CC#N)C[C@@H]2n2ccnn2)n[nH]1 1069900149 PVCLLOALTSQXMD-NEPJUHHUSA-N 300.326 -0.512 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)[C@@H]2CCC(=O)N2)CCOCC1 1070232719 PRDFKPCKRLZWMK-MNOVXSKESA-N 322.365 -0.794 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2c(C)cnn2C)C[C@@H]1n1ccnn1 1070256056 JGUCFGZSJJRZPQ-OLZOCXBDSA-N 313.365 -0.391 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)Cc2cncn2C)CC1 1071015381 AYUPBPQHYVTDCF-UHFFFAOYSA-N 317.393 -0.754 30 20 DBED C=CCCN1CCN([C@H]2CCCN(C(=O)CC(N)=O)C2)C(=O)C1 1071260188 KLOFRUFHCDSIFW-ZDUSSCGKSA-N 322.409 -0.427 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(C(=O)c2ccc[nH]2)C[C@H]1C 1071591165 IQNVJEKRQYVUMG-DGCLKSJQSA-N 316.361 -0.269 30 20 DBED C=CCOCC(=O)N[C@H]1CN(C(=O)CN(C)C(C)=O)C[C@H]1C 1071658082 JQRIDFUAQNAVDL-YPMHNXCESA-N 311.382 -0.370 30 20 DBED C=CCCN1CCC2(C1)CN(C(=O)c1cn(CC(N)=O)nn1)C2 1073459275 WDGNTZOHAGEWRZ-UHFFFAOYSA-N 318.381 -0.513 30 20 DBED C#CCCCC(=O)N[C@H]1CCN(C(=O)CNC(N)=O)C[C@H]1C 1073918605 KMVHSTOLGUKZPW-NEPJUHHUSA-N 308.382 -0.189 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@@H]3OCCN(CC(N)=O)[C@H]3C2)c1 1074205662 VQPONZVUKVUXQI-STQMWFEESA-N 317.349 -0.713 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC(O)(CNC(=O)C(F)F)CC1 1074588110 APLORKRGVOPANZ-JTQLQIEISA-N 318.320 -0.241 30 20 DBED CCN(C)CCC(=O)N1CCC(O)(CNC(=O)[C@@H](C)C#N)CC1 1074728335 GGOYJTCSXIOMJS-ZDUSSCGKSA-N 324.425 -0.042 30 20 DBED C#CCOCCC(=O)NCC[C@H](C)NC(=O)CN1CCCC1=O 1076504244 RVCOQTBBFGBNGO-ZDUSSCGKSA-N 323.393 -0.340 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN2C(=O)C2CC2)C1 1077792573 PJOZRJQHQBELCB-QLFBSQMISA-N 319.405 -0.428 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)C(C)(C)N2CCOCC2)C1 1077844008 RFBZWVAWXSTTOK-ZIAGYGMSSA-N 309.410 -0.718 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2cn(C)cn2)C[C@H]1O 1081347504 WRYGVBAPIGSDNE-WCQYABFASA-N 322.365 -0.828 30 20 DBED C=C(C)CCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2ncn(C)n2)C1 1081452841 LYMBOMZPXRQZSQ-NWDGAFQWSA-N 321.381 -0.280 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(C(=O)C2CCOCC2)C[C@H]1O 1081470914 HELVRFJTKZFRMZ-LSDHHAIUSA-N 320.389 -0.238 30 20 DBED CN(C)CCC(=O)N1C[C@H](O)[C@H](CNC(=O)C#CC2CC2)C1 1081471628 PZPOVMFKWDKKFF-KGLIPLIRSA-N 307.394 -0.713 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@H](CNC(=O)CCOCC#C)C1 1081487964 BFOVHIWCYQUGGB-CABCVRRESA-N 320.389 -0.235 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)C(=O)N1CCC(C)CC1 1082209600 VXUJKNDJLFUSDA-CHWSQXEVSA-N 308.382 -0.416 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NCc2nnn(C)n2)[C@H](C)C1 1082752140 SGXGTDDNWHVKLB-LPWJVIDDSA-N 320.397 -0.262 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2ncccc2NC(C)=O)C1 1083511904 PLXCRDPWYGRJJX-OLZOCXBDSA-N 302.334 -0.552 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN([C@@H]3CCC(=O)NC3=O)C[C@@H]2O)C1 1083762182 DUVGIPPAXJUZRR-UTUOFQBUSA-N 321.377 -0.691 30 20 DBED C#CCOc1ccc(C(=O)N[C@@H]2CN(CCO)C[C@@H]2O)cc1 1083842573 SWQGFJVOSYKZID-CABCVRRESA-N 304.346 -0.534 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](NC(=O)C(=O)N2CC[C@H](C)C2)C1 1083933098 XKFJMFSZPUSSGG-MJBXVCDLSA-N 309.410 -0.018 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)c2cccc(NC(N)=O)c2)C1 1084043418 SLONBRRTOFBOLJ-KGLIPLIRSA-N 316.361 -0.025 30 20 DBED CC#CCN1CC[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)[C@H]1CC 1087832996 HHCIRCDFDDVFBA-YNEHKIRRSA-N 313.423 -0.330 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)c1nc[nH]n1)N=c1cc[nH]c(C#N)n1 1089374833 MRCBYLMCRRFNJW-DTWKUNHWSA-N 300.326 -0.103 30 20 DBED COc1cnc(C(=O)N[C@@H]2CCN(CC#N)C[C@@H]2O)c(F)c1 1090312761 LHZOUXHRDBDKBI-NEPJUHHUSA-N 308.313 -0.082 30 20 DBED CCO[C@H](C)C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1O 1090386398 WUIABYIEMABJQE-YUSALJHKSA-N 305.338 -0.561 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(c2ncc(F)cn2)C[C@H]1O 1090445247 GPKDDCOWUYSWHQ-YUSALJHKSA-N 310.329 -0.128 30 20 DBED C#CCN1CC[C@H](NC(=O)Cc2c(C)nn(C)c2C)[C@H](O)C1 1090463645 OIZLNKCBJNVHDF-LSDHHAIUSA-N 304.394 -0.236 30 20 DBED CC(=O)N[C@H](C)C(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1C 1090649129 GWYQNGMMRNEJMJ-GIPNMCIBSA-N 316.365 -0.186 30 20 DBED CCOc1cnc(C(=O)N[C@@H]2CCN(CC#N)C[C@@H]2O)cn1 1090856026 VCPUHHBHLOSJSN-PWSUYJOCSA-N 305.338 -0.436 30 20 DBED C[C@@]12CN(CC#N)C[C@@H]1CN(C(=O)CC1CS(=O)(=O)C1)C2 1091795010 HAXFDZJZURZYQA-OCCSQVGLSA-N 311.407 -0.275 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)[C@H]3CCNC3=O)c3nccn32)C1 1092385569 VPZFFXXYKWZCGB-WDEREUQCSA-N 314.349 -0.885 30 20 DBED N#Cc1cnccc1N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CNC(N)=O 1092799972 OTHKFOLRZZBWDQ-MDZLAQPJSA-N 314.349 -0.153 30 20 DBED CC(C)C#CC(=O)N[C@H]1[C@@H]2CN(c3nccn4nnnc34)C[C@@H]21 1093256254 PTBWSTRGZGJPQI-PJXYFTJBSA-N 311.349 -0.271 30 20 DBED CC(C)[C@@H](O)C(=O)NC1[C@H]2CN(c3nccnc3C#N)C[C@H]12 1093260989 SHVQSVANCDAHNC-OUJBWJOFSA-N 301.350 -0.084 30 20 DBED Cc1cc(C#N)nc(NCCNC(=O)[C@@H]2CC[C@@H]2C(N)=O)n1 1094035422 ZCXGWWRVDFCZCH-WDEREUQCSA-N 302.338 -0.304 30 20 DBED C#CCN1CC(n2cc(CNC(=O)c3cncnc3C)nn2)C1 1094275278 FGTICTMROTWPDS-UHFFFAOYSA-N 311.349 -0.204 30 20 DBED Cc1ocnc1C(=O)N1CCN(CC#N)[C@H]2CS(=O)(=O)C[C@H]21 1094611686 QKSSUOSKIFAICG-WDEREUQCSA-N 324.362 -0.570 30 20 DBED Cc1cc(=NCCCNC(=O)[C@H]2CN(C)C(=O)N2)c(C#N)c[nH]1 1094709146 KMJMSLIPFFBYLF-CYBMUJFWSA-N 316.365 -0.375 30 20 DBED N#CCN1CC(N2C[C@@H](NC(=O)[C@@H]3CCCOC3)CC2=O)C1 1094711696 LRBGFQAXHVQHTD-NEPJUHHUSA-N 306.366 -0.662 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)c3cc(F)c[nH]3)CC2=O)C1 1094761975 VIZBGZLPWRYVIF-NSHDSACASA-N 304.325 -0.198 30 20 DBED CS(=O)(=O)CC(=O)N[C@@H]1CCCN(c2ccnc(C#N)n2)C1 1096149712 DZQNYLBWMHYDGX-SNVBAGLBSA-N 323.378 -0.522 30 20 DBED Cc1cc(C#N)nc(N2CC[C@H](NC(=O)C(C)(C)C(N)=O)C2)n1 1096444320 FYQLTKATBXUQCC-JTQLQIEISA-N 316.365 -0.137 30 20 DBED COC[C@@H](OC)C(=O)N[C@@H]1CCN(c2cncc(C#N)n2)C1 1096482196 IONCRAPNTFDACT-ZYHUDNBSSA-N 305.338 -0.295 30 20 DBED N#Cc1nc(=N[C@H](CNC(=O)[C@H]2CCC(=O)N2)C2CC2)cc[nH]1 1096598085 JUEGPSIVDJSUAP-GHMZBOCLSA-N 314.349 -0.645 30 20 DBED CCC(=O)NCC(=O)N[C@H]1C[C@H](Nc2cnc(C#N)cn2)C1 1097001595 DEOCGTXGKDWUNA-MGCOHNPYSA-N 302.338 -0.066 30 20 DBED N#Cc1ccc(N2CCCC[C@@H]2CNC(=O)CNC(N)=O)nn1 1097393017 LLJFSQPJYJPYJE-LLVKDONJSA-N 317.353 -0.508 30 20 DBED C[C@@H](CNC(=O)COCCN(C)C)Nc1ccc(C#N)nn1 1097954062 PPNJVWFNWURIPI-NSHDSACASA-N 306.370 -0.157 30 20 DBED C#CCNCc1cn([C@@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)nn1 1098645638 RZRFSSOJBRCJLZ-CABCVRRESA-N 316.409 -0.132 30 20 DBED C[C@H](CCNC(=O)C1=COCCO1)N=c1cc[nH]c(C#N)n1 1098798144 PYAYNSPKZCQZRU-SNVBAGLBSA-N 303.322 -0.035 30 20 DBED C[C@H](CCNC(=O)C[C@@H](C)NC(N)=O)N=c1cc[nH]c(C#N)n1 1099545447 GAGHCURLDPRMFL-NXEZZACHSA-N 319.369 -0.476 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)Cc2ccon2)[C@@H](O)C1 1099755869 SUOPBRRCIGQACP-OLZOCXBDSA-N 322.365 -0.929 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)C=C2CCC2)[C@@H](O)C1 1099764642 YGMUZKFRTTVUSX-KBPBESRZSA-N 305.378 -0.603 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CCC(=O)NCCC)[C@H](O)C1 1100079375 YFODOSIDHIPGLA-ZIAGYGMSSA-N 309.410 -0.133 30 20 DBED C#CCN1CC[C@H](NC(=O)C(=O)Nc2cc(C)on2)[C@H](O)C1 1100111487 FILFWWKJHVTSKC-WDEREUQCSA-N 306.322 -0.894 30 20 DBED CCN(CCNC(=O)Cc1nc[nH]n1)c1nc(C)cc(C#N)n1 1100611649 KYBUBIHBTHWXCH-UHFFFAOYSA-N 314.353 -0.040 30 20 DBED C=CCCOCC(=O)NCC1CC(NCc2nnnn2C)C1 1101053024 DSLHRVPAONOHCH-UHFFFAOYSA-N 308.386 -0.213 30 20 DBED CNC(=O)CC(=O)NCC[C@H]1CCN(c2cnc(C#N)cn2)C1 1102311711 FBNTVSXJGPALPD-NSHDSACASA-N 316.365 -0.183 30 20 DBED C=CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)Cc2ncc[nH]2)C1 1102480783 IARAXCXCVBTIFL-CHWSQXEVSA-N 319.409 -0.062 30 20 DBED CC[C@H](CNC(=O)[C@H]1CCCNC1=O)N=c1cc[nH]c(C#N)n1 1103216978 MYMITFLYLGGSJG-MNOVXSKESA-N 316.365 -0.397 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1CCNC(=O)CN1C(=O)CN(C)C1=O 1103704163 YLIKIJMYVZBYOF-VXGBXAGGSA-N 321.381 -0.522 30 20 DBED C[C@H](CNC(=O)[C@@H]1CCNC1=O)CNc1cnc(C#N)cn1 1104156979 BXTLJPPXTUGZMT-GXSJLCMTSA-N 302.338 -0.351 30 20 DBED CC(C)[C@@H](O)C(=O)NC[C@@H]1CN(c2cncc(C#N)n2)CCO1 1104305706 VVRMFHTTZCOGHN-TZMCWYRMSA-N 319.365 -0.313 30 20 DBED C[C@@H](CNc1ccc(C#N)nn1)N(C)C(=O)[C@H]1CN(C)C(=O)N1 1104766780 RKJXDENZSIAXEE-GXSJLCMTSA-N 317.353 -0.369 30 20 DBED CCNC(=O)CC(=O)NC[C@H](O)CNc1ncc(C#N)cc1F 1105794936 QBYXFSVKYZTFBC-JTQLQIEISA-N 323.328 -0.492 30 20 DBED CCn1nccc1C(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1 1105800044 FHWMCBZCOWREON-SNVBAGLBSA-N 315.337 -0.811 30 20 DBED C[C@](O)(CC(=O)NC[C@@H](O)CN=c1cc[nH]cc1C#N)C1CC1 1105827184 OKZPQHJWAHCPSB-BBRMVZONSA-N 318.377 -0.185 30 20 DBED Cc1cc(=NC[C@H](O)CNC(=O)c2cnn(C)n2)c(C#N)c[nH]1 1105897208 ARFPXPBGJHVFGP-NSHDSACASA-N 315.337 -0.985 30 20 DBED CCCN(C)CCC(=O)NC[C@@H](O)CNc1nccnc1C#N 1105917248 GADOTABABXEJOX-GFCCVEGCSA-N 320.397 -0.031 30 20 DBED CC[C@H](C(=O)NC[C@@H](O)CNc1cncc(C#N)n1)N(C)C 1105925905 JCJLXBKPKKITJV-NWDGAFQWSA-N 306.370 -0.423 30 20 DBED N#Cc1cnc(NC[C@H](O)CNC(=O)[C@@H]2[C@H]3COC[C@H]32)cn1 1106062801 MNSJRKMRLUCIRI-MEWQQHAOSA-N 303.322 -0.870 30 20 DBED C[C@H]1CCN(CC(=O)NC[C@@H](O)CNc2ccc(C#N)nn2)C1 1106104050 GVFZZZYBOHASOJ-AAEUAGOBSA-N 318.381 -0.421 30 20 DBED C[C@@H]1CN(C(=O)CCn2cnccc2=O)C[C@H]1CNCC#N 1106817087 RJVPLBJJWVRGHY-CHWSQXEVSA-N 303.366 -0.159 30 20 DBED CN1CCO[C@@H](C(=O)NC/C=C\CNc2ccc(C#N)nn2)C1 1107093048 BAZPOTMQCMRWJW-XQJDBVBESA-N 316.365 -0.237 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)C[C@@H]1CCC(=O)N1 1107839198 VKHHURWGMMFMTM-ZJUUUORDSA-N 302.338 -0.645 30 20 DBED C[C@@]1(CNC(=O)c2cnc3[nH]nnc3c2)CN(CC#N)CCO1 1107997133 RIQWFTKTGROPOY-CQSZACIVSA-N 315.337 -0.303 30 20 DBED CC#CCN1CCO[C@](C)(CNC(=O)[C@@H]2CCCNC2=O)C1 1108010646 YNFMDFLCBJSWGD-CZUORRHYSA-N 307.394 -0.257 30 20 DBED Cc1cc(=NC[C@@H](C)NC(=O)[C@H]2CN(C)C(=O)N2)c(C#N)c[nH]1 1108041363 OAUSQDJCYICOFL-ZWNOBZJWSA-N 316.365 -0.376 30 20 DBED Cn1cc(C(N)=O)cc1C(=O)NC[C@]1(C)CN(CC#N)CCO1 1108055475 OLDZJYWURJJYRC-OAHLLOKOSA-N 319.365 -0.532 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)CO[C@H]3CCOC3)CC2=O)C1 1108545457 WGJPZLNERLYKBR-OCCSQVGLSA-N 323.393 -0.621 30 20 DBED CC#CCN1CC(N2C[C@@H](NC(=O)C3(COC)CC3)CC2=O)C1 1108557206 RUGGXUDPVLPLEG-ZDUSSCGKSA-N 319.405 -0.162 30 20 DBED C=CCCN1CC(N2C[C@@H](NC(=O)[C@@H](C)CC(N)=O)CC2=O)C1 1108561362 XYTFPWRLXLJTGX-RYUDHWBXSA-N 322.409 -0.525 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)[C@@H](CC)NC(C)=O)CC2=O)C1 1108577761 OVYKFNZDCWBBQN-TZMCWYRMSA-N 322.409 -0.512 30 20 DBED C[C@@H](CN(C)c1ccc(C#N)nn1)NC(=O)Cn1nccn1 1109104330 WHDBZGXHTJJOBE-JTQLQIEISA-N 300.326 -0.419 30 20 DBED C[C@H](CN(C)c1ccc(C#N)nn1)NC(=O)c1nnn(C)n1 1109178634 AHPHWABXBIZJPK-MRVPVSSYSA-N 301.314 -0.874 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H](COC)OC 1109695673 DGJJDZCVLVCZDZ-ZOBORPQBSA-N 323.393 -0.881 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCn1cc[nH]c(=O)c1=O 1109847804 IBVOPSXDLDAGQJ-AGIUHOORSA-N 316.361 -0.719 30 20 DBED N#Cc1ccc(NC[C@H](NC(=O)CCNC(N)=O)C2CC2)nn1 1109850013 LAABYDFQROGKIF-NSHDSACASA-N 317.353 -0.287 30 20 DBED N#Cc1nccnc1NC[C@@H](NC(=O)[C@@H]1CCNC1=O)C1CC1 1109945494 HBIJPLFBEOGDAI-ZYHUDNBSSA-N 314.349 -0.209 30 20 DBED N#Cc1nccc(NC2(CNC(=O)[C@H]3C[C@H]3C(N)=O)CC2)n1 1110347219 KKXZJBCPWMIRRJ-BDAKNGLRSA-N 300.322 -0.470 30 20 DBED C#CCCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCS(=O)(=O)NC 1110557271 KISYEDBYBSIEGG-UPJWGTAASA-N 313.423 -0.330 30 20 DBED C[C@@]1(NC(=O)Cc2nc[nH]n2)CCN(c2ccc(C#N)nn2)C1 1110791330 CLHDKAHACLABKO-CQSZACIVSA-N 312.337 -0.206 30 20 DBED N#Cc1ccc(NCCN(CCO)C(=O)[C@H]2COC(=O)N2)nc1 1111460187 RKTTXKFZMCSTOM-LLVKDONJSA-N 319.321 -0.706 30 20 DBED CC(C)(O)CC(=O)NC[C@@H]1COCCN1c1cnc(C#N)cn1 1111677559 GQTBKVSAWTWJSP-GFCCVEGCSA-N 319.365 -0.169 30 20 DBED CC(C)[C@@H](O)C(=O)NC[C@H]1COCCN1c1ccnc(C#N)n1 1111682664 BZSHOJANMHLULA-SMDDNHRTSA-N 319.365 -0.313 30 20 DBED C#CCNC(=O)CC(=O)N1CCN(Cc2cnsn2)CC1 1112773952 CMMKIUBJFKRKCJ-UHFFFAOYSA-N 307.379 -0.678 30 20 DBED CCO[C@@H](C(=O)N1CCN(CC(=O)NCC#N)CC1)C(C)C 1112839233 DZPQGEVCYAZVTO-CQSZACIVSA-N 310.398 -0.169 30 20 DBED C=CCCCN1CCN(C(=O)Cn2cnc(C(N)=O)n2)CC1 1112865060 RFLMOCTTYRZGFE-UHFFFAOYSA-N 306.370 -0.513 30 20 DBED COCC#CCN1CCN(C(=O)CCNC(=O)[C@H]2C[C@H]2C)CC1 1112910750 KGZWGLHIUZIQTI-CABCVRRESA-N 321.421 -0.057 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)COCCN(C)C)CC1 1113538375 LHNNZRHJCYQJIP-UHFFFAOYSA-N 312.414 -0.989 30 20 DBED N#CCSCC(=O)NC1[C@@H]2CN(Cc3nc(O)n[nH]3)C[C@@H]12 1113897109 OIMAJFGWMPMCOV-HTQZYQBOSA-N 308.367 -0.687 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)c3cc(C)[nH]n3)[C@H]2C1 1113948290 PFYCANYANJJWGA-NMKXLXIOSA-N 315.377 -0.484 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)C[C@@H](C)SC)[C@H]2C1 1114149158 PULFRILKSMFKGA-FJJYHAOUSA-N 309.435 -0.076 30 20 DBED C#CCO[C@H](C)C(=O)NC1[C@@H]2CN(CCS(C)(=O)=O)C[C@@H]12 1114271050 OKIXXXBEWCXRFM-IJLUTSLNSA-N 314.407 -0.884 30 20 DBED C#CCO[C@H](C)C(=O)NC1[C@H]2CN(Cc3nc(C)no3)C[C@H]12 1114271525 WSRQHIMUYFLZRV-USWWRNFRSA-N 304.350 -0.037 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3n[nH]cc3F)[C@H]2C1 1114787693 XIRKBGJEFPGXLD-GDGBQDQQSA-N 307.329 -0.489 30 20 DBED C[C@@H](CCCN=c1cc[nH]cc1C#N)NC(=O)CNC(N)=O 1114836504 GYGDYLPFCKGNJS-JTQLQIEISA-N 304.354 -0.260 30 20 DBED C[C@H](CCCNc1ccc(C#N)nn1)NC(=O)Cn1cnnn1 1114839050 PPNDTPGYZLXETE-SNVBAGLBSA-N 315.341 -0.268 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)Cc3ncc[nH]3)[C@H]2C1 1115016414 WHSHMPGJBXPBQB-QWRGUYRKSA-N 303.366 -0.699 30 20 DBED CCc1noc(COCC(=O)NC2[C@H]3CN(CC#N)C[C@H]23)n1 1115101197 QPSSIKNKJABNCH-UWVGGRQHSA-N 305.338 -0.281 30 20 DBED C=CCOCCN1C[C@@H]2C(NC(=O)c3c[nH]c(C(N)=O)c3)[C@H]2C1 1115243863 WKCWVGLTAWSSGL-RYUDHWBXSA-N 318.377 -0.024 30 20 DBED C[C@@H](CN(C)C(=O)[C@H]1COC(=O)N1)Nc1ccc(C#N)nn1 1115702978 PQFRYUFGFDGHPR-WCBMZHEXSA-N 304.310 -0.285 30 20 DBED C[C@@H](CN(C)C(=O)[C@H]1COC(=O)N1)N=c1cc[nH]c(C#N)n1 1115703033 QUALZMMIULNFGY-DTWKUNHWSA-N 304.310 -0.863 30 20 DBED O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CC(O)(C2CC2)C1 1116778238 ZCPQKFOXBNOXFV-BUHFOSPRSA-N 305.334 -0.114 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CCC[C@@H]2C[C@@H](C)O)nn1 1118115901 KQBPUGQDIDUIDJ-DGCLKSJQSA-N 321.381 -0.158 30 20 DBED CC(=O)N1CCCN(C(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)CC1 1118116331 SSRFUSBLNGKWTQ-QWHCGFSZSA-N 306.366 -0.124 30 20 DBED COC[C@@H]1CCCN1C(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1118947482 HQQDFXVDCDBVJW-KBPBESRZSA-N 320.393 -0.177 30 20 DBED C#C[C@H](NC(=O)C(=O)N1[C@H]2CC[C@H]1CC(=O)NC2)[C@@H]1CCCO1 1119140259 CDXDDAITDNYCHT-CYDGBPFRSA-N 319.361 -0.837 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)C2=COCCC2)nn1 1121198687 RYASCJRYAHQDME-GFCCVEGCSA-N 303.322 -0.068 30 20 DBED N#Cc1cnc(N[C@@H](CO)CNC(=O)C2=COCCC2)cn1 1121199353 YOJSSLCEBFLCOZ-GFCCVEGCSA-N 303.322 -0.068 30 20 DBED N#Cc1cncc(N[C@@H](CO)CNC(=O)c2c[nH]c(C#N)c2)n1 1121352842 GFRSFTIYHPVPGB-GFCCVEGCSA-N 311.305 -0.249 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)Cc2cc[nH]n2)cn1 1121400317 ZEIJSMUSYVAFQZ-CYBMUJFWSA-N 300.322 -0.192 30 20 DBED CCc1nc(C#N)cc(N[C@H](CO)CNC(=O)CC(C)(C)O)n1 1121506861 ZIIGUDYWBZBDSP-NSHDSACASA-N 321.381 -0.039 30 20 DBED Cc1cnccc1C(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1 1121521340 XNMBUYRPCZVNIM-NSHDSACASA-N 312.333 -0.324 30 20 DBED CN1CC[C@H](C(=O)NC[C@@H](CO)Nc2ncc(C#N)cc2F)C1 1121591709 VBRVVCZXUJKFMW-RYUDHWBXSA-N 321.356 -0.067 30 20 DBED N#Cc1cccnc1N[C@@H](CO)CNC(=O)CO[C@@H]1CCOC1 1122069244 IYANINZFYTXXPB-CHWSQXEVSA-N 320.349 -0.352 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)[C@H]2CCCNC2=O)cn1 1122147250 KQFGIAOMXZQRME-STQMWFEESA-N 317.349 -0.632 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]cc1C#N)C(=O)[C@H]1CCCO1 1124066039 QQQSCIVFTORQPZ-GXTWGEPZSA-N 304.350 -0.215 30 20 DBED CC(C)C#CC(=O)N(C)C[C@@H](O)CNc1ccc2nnnn2n1 1124278809 OTAMEYSSEBHYMK-NSHDSACASA-N 317.353 -0.590 30 20 DBED CN(C[C@@H](O)CNc1cnc(C#N)cn1)C(=O)[C@@]12COC[C@@H]1C2 1124822918 STSBAQCUBBKDRK-WBIUFABUSA-N 317.349 -0.384 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)c1ccc(F)nc1 1124936576 IZMITGHOTOCFFF-UHFFFAOYSA-N 323.328 -0.448 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)c1ccncc1F 1125169490 CQQUYILHYQDTSY-UHFFFAOYSA-N 323.328 -0.448 30 20 DBED C#CCNC(=O)CC(=O)NCCNCc1ccc2nonc2c1 1125994359 AAVFOHSMAPJMDI-UHFFFAOYSA-N 315.333 -0.432 30 20 DBED COCCN(CCNC(=O)c1cc[nH]n1)c1cncc(C#N)n1 1126225182 SVWXJPQDDBBCNW-UHFFFAOYSA-N 315.337 -0.046 30 20 DBED CN(C(=O)CS(C)(=O)=O)C1CC(Nc2cncc(C#N)n2)C1 1126859882 YQIRZFFWWFCVRS-UHFFFAOYSA-N 323.378 -0.206 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@@H]1C[C@H]2CCCCN2C1 1127257010 UVQOOASEXBBHRI-ZIAGYGMSSA-N 306.410 -0.684 30 20 DBED C=CCCC(=O)N1C[C@H](n2ccnn2)[C@H](N[C@H](C)C(=O)NC)C1 1129671524 RDDFLUCWZKARTQ-UPJWGTAASA-N 320.397 -0.280 30 20 DBED C=CCN[C@@H]1CN(C(=O)CCC(=O)NCC)C[C@@H]1n1ccnn1 1129696259 PCSZMQZALPNDBW-OLZOCXBDSA-N 320.397 -0.278 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cn2c(n1)C[C@@H](C)CC2 1130227452 ZDMNHMMJJSPROX-LBPRGKRZSA-N 317.393 -0.466 30 20 DBED C#CCNC(=O)CNCCNC(=O)Cc1ccc(OC)c(F)c1 1130981554 PBHQIAJZLJSOIK-UHFFFAOYSA-N 321.352 -0.168 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@H]1CCCN(C(C)=O)C1 1131014046 LFZUTMJNAYMCBU-ZDUSSCGKSA-N 310.398 -0.747 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1Cc2ccccc2O1 1131021419 GTHBBLNTMIESTM-DOMZBBRYSA-N 315.373 -0.166 30 20 DBED C=CCNC(=O)CNC[C@@H]1CN(C(=O)CC(N)=O)CC[C@@H]1C 1132719172 WGWZZHDMURUJDN-NWDGAFQWSA-N 310.398 -0.762 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)c1nc(C)c[nH]1 1135065225 ZYYVQWYVCZBWAY-SNVBAGLBSA-N 322.369 -0.562 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC2(CCN([C@H](CC)C(N)=O)C2)C1 1147541864 ZSMGGGFGLVJLBR-QWHCGFSZSA-N 307.394 -0.177 30 20 DBED N#CCSCC(=O)NC[C@@H]1CN(CCCO)CCCO1 1149206873 HUDXVVQVHITWOF-GFCCVEGCSA-N 301.412 -0.167 30 20 DBED COCC#CCN1CCCO[C@H](CNC(=O)c2nc[nH]n2)C1 1150469445 FYPVTVJVZBNGAL-GFCCVEGCSA-N 307.354 -0.725 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@H]1CCCN1C(=O)CCC 1152102925 QVTGAVBHAIQKCN-CYBMUJFWSA-N 324.425 -0.215 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)CCn1cccn1 1154766589 FYTVEEYVIPHSFX-CYBMUJFWSA-N 305.382 -0.493 30 20 DBED C#CCN1CC=C(CCNC(=O)[C@H](C)NC(=O)COC)CC1 1160221218 FBFRXPHTDOYQGG-ZDUSSCGKSA-N 307.394 -0.091 30 20 DBED C#CCNC(=O)CNCC1(CCNC(=O)CN(C)C(C)C)CC1 1168320630 HNPNUDGATIMONN-UHFFFAOYSA-N 322.453 -0.048 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)c1cnc(OC)nc1 1170084028 VFGZSYTZBXJZPN-LLVKDONJSA-N 319.365 -0.667 30 20 DBED C[C@H](CCCCNCC(=O)NCC#N)NC(=O)[C@@H]1[C@H]2COC[C@H]21 1174805515 SNQRLYVVVHTRRD-CXTNEJHOSA-N 322.409 -0.217 30 20 DBED C=CCCC(=O)N1CC[C@@H]2OCCN(CC(=O)NCC#N)[C@@H]2C1 1176949795 SZGJLBQPYXETTJ-KGLIPLIRSA-N 320.393 -0.106 30 20 DBED C#CCCN[C@H]1CCN(C(=O)[C@H]2CN(C(C)=O)CCO2)[C@H]1C 1180037474 PSWFUVMIHXVSEN-AEGPPILISA-N 307.394 -0.164 30 20 DBED C#CCNCc1cn([C@@H]2CCCN(C(=O)c3cnn[nH]3)C2)nn1 1185964651 YSQIAJALTCZMFT-GFCCVEGCSA-N 314.353 -0.404 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)CCc2cn[nH]c2)C1 1186213446 IGZAWYQYVASXFQ-TZMCWYRMSA-N 317.393 -0.329 30 20 DBED CSCCC(=O)N1CC[C@H]2CN(CC(=O)NCC#N)C[C@H]21 1186764542 UKUIQYFFPLYFDB-NWDGAFQWSA-N 310.423 -0.088 30 20 DBED CN(CC(=O)NCC#N)[C@H]1CCN(C(=O)c2cccn2C)C1 1188895317 FDZHLBULVNZCST-LBPRGKRZSA-N 303.366 -0.189 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)c2cccn2C)C1 1191033492 JXLKCALACHGWFF-YRGRVCCFSA-N 320.393 -0.509 30 20 DBED C=CCN(CC=C)C(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)C#N)C1 1191882496 SUGPYURRVBZKPZ-BFHYXJOUSA-N 320.393 -0.492 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)[C@@H](CC)NC(C)=O)C1 1192464652 QRRFEVSSPVQVCV-UONOGXRCSA-N 324.425 -0.264 30 20 DBED CC(=O)NC(C)(C)C(=O)N1CC[C@H](N(C)CC(=O)NCC#N)C1 1192887260 BTZBPLMCLXJNCC-LBPRGKRZSA-N 323.397 -0.926 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)[C@H](Cn2cccn2)N(C)C)C1 1193756369 PXSLQCALGMZLFR-QLFBSQMISA-N 321.425 -0.449 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2ccsn2)C1 1194016546 SFJFQRJATUMIBN-GHMZBOCLSA-N 310.379 -0.780 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)COCCC=C)C1 1194381743 MRKUFPZVTFIYAF-AWEZNQCLSA-N 307.394 -0.139 30 20 DBED N#CCNC(=O)CN1CCCN(C(=O)Cc2cncnc2)CC1 1195640431 XZXRTCIZPACZEC-UHFFFAOYSA-N 316.365 -0.807 30 20 DBED COCC#CCN1CCCN(C(=O)c2cn(C)c(O)n2)CC1 1197021674 BTEGBALMOQAHDX-UHFFFAOYSA-N 306.366 -0.077 30 20 DBED COCC#CCN1CCCN(C(=O)C[C@H]2CCC(=O)N2)CC1 1197411706 UWFDKYMWADHWAJ-CQSZACIVSA-N 307.394 -0.161 30 20 DBED C=CCCCN1C[C@@H](O)[C@H](NC(=O)CN2CCC(=O)NC2=O)C1 1197543694 QOHACLMIFJVJCG-VXGBXAGGSA-N 324.381 -0.944 30 20 DBED C[C@@]1(C(=O)N2CCCN(CC(=O)NCC#N)CC2)CCCOC1 1197569117 YJANFINEXVCBPZ-MRXNPFEDSA-N 322.409 -0.023 30 20 DBED C=CCNC[C@@H]1CN(C(=O)[C@@H](C)NC(=O)COC)CCCO1 1200581783 GJYJFYHCUSBOJZ-CHWSQXEVSA-N 313.398 -0.469 30 20 DBED CC#CCNC[C@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)CCCO1 1200786567 GQRXBKMWAANHCR-OWCLPIDISA-N 323.437 -0.064 30 20 DBED C[C@H]1CN(C)C[C@@H]1C(=O)N1CCC(NCC(=O)NCC#N)CC1 1202504898 WRFGQAWJARUDNP-JSGCOSHPSA-N 321.425 -0.596 30 20 DBED N#CCNC(=O)CN[C@H]1C[C@H]2CC[C@H]1N(C(=O)c1cocn1)C2 1204095295 LEEMUQWBFJKYJG-NTZNESFSSA-N 317.349 -0.103 30 20 DBED N#CCNC(=O)CNCC1CCN(C(=O)Cc2ccon2)CC1 1204852787 YXFXTNXMFCNXIY-UHFFFAOYSA-N 319.365 -0.315 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)c2cnco2)CC1 1205798041 RYAVZDPAJYGKOD-UHFFFAOYSA-N 304.350 -0.134 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)c2cc[n+]([O-])cc2)C1 1207150336 DPEHRZWEFVJVEO-AWEZNQCLSA-N 316.361 -0.736 30 20 DBED CC#CCN1C[C@@H](NC(=O)[C@H](CCC)S(N)(=O)=O)[C@H](C)C1 1208105427 MRPWVAGXPSIBLG-UPJWGTAASA-N 315.439 -0.097 30 20 DBED CO[C@@H]1CN(CCOCCO)C[C@H]1NC(=O)CSCC#N 1211885984 AEJWOYUAJYLWND-VXGBXAGGSA-N 317.411 -0.933 30 20 DBED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)c1ncoc1C 1211954966 UBJXGVGMIAHZTO-GHMZBOCLSA-N 321.337 -0.948 30 20 DBED C=CCOCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)Cc1nc[nH]n1 1218926191 WDXDSEIIWLVOAT-QWHCGFSZSA-N 321.381 -0.539 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)c2snnc2C)C1 1219165488 XDYSYULYURMEHB-MNOVXSKESA-N 312.395 -0.176 30 20 DBED N#CCSCC(=O)N[C@@H]1CN(Cc2ccccn2)C[C@@H]1O 1219219585 CYTRICAMALUKBG-OLZOCXBDSA-N 306.391 0.000 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)CSCCC)C1 1219277313 SAJIQRBVPZIYOZ-NEPJUHHUSA-N 313.423 -0.960 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C2(C)C[C@@H]3C[C@H]3C2)C1 1220051852 NSXFLFBSWCFCSK-FQUUOJAGSA-N 321.421 -0.114 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)c2cn(C(C)C)cn2)C1 1220064699 IVXCJFIYPGGKBA-HIFRSBDPSA-N 320.393 -0.111 30 20 DBED C=CCCCC(=O)N[C@@H]1CN(CCCS(C)(=O)=O)C[C@@H]1O 1220247682 OFUPJRFPOZUGGS-OLZOCXBDSA-N 318.439 -0.061 30 20 DBED C=CCCCCCN1C[C@H](O)[C@H](NC(=O)CCNC(N)=O)C1 1220938295 RTUQRPZDGODBSN-OLZOCXBDSA-N 312.414 -0.048 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)CNC(=O)NCc2ccco2)C1 1221069941 XZPJNQBHCVHOJZ-OLZOCXBDSA-N 322.365 -0.574 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)CN(C)CC(=O)NC(C)C)[C@@H]2C1 1221670612 LBNAYUBEDHIUFY-HUUCEWRRSA-N 320.437 -0.391 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC(NC(=O)CNC(=O)CC)CC1 1226624702 CMSVARMARAFVPY-LBPRGKRZSA-N 322.409 -0.769 30 20 DBED C=CCCOCC(=O)NC1CCN(Cc2nnn(C)n2)CC1 1230411508 KLWLJVMLPCEEGQ-UHFFFAOYSA-N 308.386 -0.117 30 20 DBED C#CCNC(=O)[C@H](C)N(C)CCCNC(=O)c1cnc(C)cn1 1231411702 XRFHQYCRFSKJQY-ZDUSSCGKSA-N 317.393 -0.025 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)Nc1cnn(CC(=O)OC)c1C 1256409438 RRUHNFDRRDVYPG-JTQLQIEISA-N 324.337 -0.380 30 20 DBED CN(C)C[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(C#N)cn1 1261239639 VMLCFJPVSNWWQE-AWEZNQCLSA-N 305.338 -0.679 30 20 DBED CN1CCN(CCCCNS(=O)(=O)N(C)CCC#N)CC1 1322856378 ILNYTVABJSFAFN-UHFFFAOYSA-N 317.459 -0.306 30 20 DBED COC[C@H](NC(=O)C(=O)N1CCO[C@@H](C#N)C1)c1ccco1 1322936542 ZSHXDXMNJFDUDQ-QWRGUYRKSA-N 307.306 -0.166 30 20 DBED C#CCCCNC(=O)C(=O)Nc1cccc(S(N)(=O)=O)c1 1324470790 ZBHKMMXLTIRHAX-UHFFFAOYSA-N 309.347 -0.198 30 20 DBED C#CCOCCNC(=O)C(=O)N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1326802019 UVJIHAUTTXQXRL-WDEREUQCSA-N 318.395 -0.968 30 20 DBED C#CCN(C(=O)C(=O)NC[C@H]1CC[C@H](C(=O)N(C)C)O1)C(C)C 1333100287 OTGBXVDHSAUYHV-CHWSQXEVSA-N 323.393 -0.391 30 20 DBED C#CCN(C(=O)C(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1C)C(C)C 1334400307 ZDRHQKQFKXHSRF-WDEREUQCSA-N 300.380 -0.594 30 20 DBED CN(CCS(C)(=O)=O)C(=O)NC1CCN(CC#N)CC1 1338691951 TWCWAPSWLSWRHF-UHFFFAOYSA-N 302.400 -0.340 30 20 DBED C=CCn1c([C@H](C)O)nnc1N1CCN(C(=O)COC)CC1 1339580275 DRDFKDIBMVPFKJ-NSHDSACASA-N 309.370 -0.188 30 20 DBED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1ccc2nc(C)nn2c1 1343516296 IQECTPKBICJCME-GFCCVEGCSA-N 315.333 -0.133 30 20 DBED CN(C)C1(CNC(=O)C(=O)N2CCO[C@H](C#N)C2)CCCC1 1344830218 ODAQLOAGKAVYKO-GFCCVEGCSA-N 308.382 -0.272 30 20 DBED C=CCn1c([C@@H](C)O)nnc1N1CCN(S(C)(=O)=O)CC1 1355958175 SYBHXFAHWXRGCI-SNVBAGLBSA-N 315.399 -0.401 30 20 DBED C[C@@H](NC(=O)Cn1cc(C#N)c(O)nc1=O)C(C)(C)CN(C)C 1362233113 YGKJHZOMCQYSFH-SNVBAGLBSA-N 321.381 -0.087 30 20 DBED C[C@@H]1CN(c2[nH]c(=O)n(C)c(=O)c2C#N)C[C@@]2(CCO[C@@H]2C)O1 1364180400 ORJNCCWVUHHWLM-IQMDTDKHSA-N 320.349 -0.282 30 20 DBED COC(=O)C1(C#N)CCN(C(=O)N[C@H]2CCN(C)C2=O)CC1 1365581250 ONDPUACSRDDYPA-JTQLQIEISA-N 308.338 -0.295 30 20 DBED CCCC[C@@H](CNC(=O)[C@@H](C)C#N)NC(=O)CS(C)(=O)=O 1370057105 JNDZBTFFBBNNCG-QWRGUYRKSA-N 317.411 -0.018 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CCN(C(=O)CCn2cnccc2=O)C1 1385736266 QYHHEVPAFNFBBI-NWDGAFQWSA-N 317.349 -0.490 30 20 DBED C[C@H](CCNC(=O)c1cc(C#N)c[nH]1)NC(=O)[C@H]1CCC(=O)N1 1387430415 MHINUYGHGKBQBN-MWLCHTKSSA-N 317.349 -0.210 30 20 DBED CNC(=O)NCC(=O)NC[C@@H]1CCN1C(=O)c1c[nH]c(C#N)c1 1400409627 BAYKWTREBZGMDK-NSHDSACASA-N 318.337 -0.854 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@@H](CNC(=O)c2cnnc(O)c2)C1 1414202293 QSGZRBVMSRHVCH-KKZNHRDASA-N 303.322 -0.034 30 20 DBED C[C@@H](C(=O)NC1(CNC(=O)[C@H](C)C#N)CC1)S(C)(=O)=O 1417198721 XSTCRLGXDGGKHI-BDAKNGLRSA-N 301.368 -0.656 30 20 DBED C[C@]1(CNC(=O)CCn2cc(C#N)c(O)nc2=O)CCCO1 1417667165 PDIGDNBJZIXWHL-CQSZACIVSA-N 306.322 -0.104 30 20 DBED C[C@H](C#N)C(=O)NCC1CN(C(=O)c2ccc(=O)n(C)c2)C1 1432474666 RLGIAFMHGODPHK-SNVBAGLBSA-N 302.334 -0.267 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)c2cn(C)cn2)C1 1434334020 WDTCLWYMTRLRKI-QMTHXVAHSA-N 305.338 -0.727 30 20 DBED CCC[C@@H](NC(N)=O)C(=O)NCCN(CC)C(=O)[C@H](C)C#N 1449474301 BHMMQFLRTGYWQP-GHMZBOCLSA-N 311.386 -0.052 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](C1CC1)N(C)C(=O)c1cnn(C)n1 1450843575 BHJDVLLCLAFITD-JOYOIKCWSA-N 304.354 -0.058 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@]2(CCN(C(=O)CCNC(N)=O)C2)C1 1459149551 GTPQGBFDLCHKER-NHYWBVRUSA-N 321.381 -0.345 30 20 DBED C[C@@H]1CN(C(=O)CCn2cc(C#N)c(O)nc2=O)[C@H](C)CO1 1464073070 KYIVZEHPJLBIQD-NXEZZACHSA-N 306.322 -0.154 30 20 DBED C[C@@H](CNC(=O)c1cnn(C)n1)N(C)C(=O)c1c[nH]c(C#N)c1 1486929125 NFXACYJPXMOHAN-VIFPVBQESA-N 315.337 -0.095 30 20 DBED C[C@@H](CC(N)=O)C(=O)N1CC[C@@H]1CNC(=O)c1cc(C#N)c[nH]1 1505665791 MJILUJMCHHJGIX-GXSJLCMTSA-N 317.349 -0.271 30 20 DBED C[C@@H](C#N)C(=O)N1CC(CNC(=O)C(C)(C)S(C)(=O)=O)C1 1530916200 JIRWCQMLISUIAF-VIFPVBQESA-N 315.395 -0.456 30 20 DBED C#CCOCCC(=O)NCCNc1ccc(-c2nn[nH]n2)nn1 1573289745 PUOLODLUIZATKV-UHFFFAOYSA-N 316.325 -0.775 30 20 DBED C=CCCOCC(=O)N[C@@H]1COC2(C1)CN(Cc1cnn[nH]1)C2 1575099696 BHVCOYZBYQMTBF-LBPRGKRZSA-N 321.381 -0.143 30 20 DBED COC(=O)[C@@H]1[C@@H](O)CCCN1C(=O)C1CC2(CNC[C@H]2C#N)C1 1578783012 JHZKHNYUNYBTCH-SNUKUXNHSA-N 321.377 -0.349 30 20 DBED C#CCCCNC(=O)N1CCN([C@@]2(C(=O)O)CCOC2)CC1 1588446263 FOGGOUMKYIETNP-HNNXBMFYSA-N 309.366 -0.029 30 20 DBED C#CCN1CCC[C@@H](NC(=O)N2CC[C@](OC)(C(=O)O)C2)C1 1588477268 XKMPHSLGUSSVNX-IUODEOHRSA-N 309.366 -0.031 30 20 DBED N#CC1CCN(C(=O)C(=O)Nc2ccn(CC(=O)O)n2)CC1 1594606429 WZGNQVCQNLNEAN-UHFFFAOYSA-N 305.294 -0.332 30 20 DBED CCOCCCNC(=O)[C@@H](C#N)C(=O)[C@@H]1CC[C@H](C(=O)O)O1 1596917472 XEKGQTDPLUZLGZ-GARJFASQSA-N 312.322 -0.130 30 20 DBED N#Cc1ccc(N2C[C@@H](C(=O)NC[C@H](O)C(=O)O)CC2=O)cc1 1601105867 KCKXFEHSXXGADV-JQWIXIFHSA-N 317.301 -0.527 30 20 DBED C[C@@H]1C[C@@H](C(=O)O)CN(C(=O)Cn2cc(C#N)c(O)nc2=O)C1 1603360538 SQGSZSSKBMAQCR-RKDXNWHRSA-N 320.305 -0.610 30 20 DBED O=C(N[C@@H]1CCN(O)C1=O)c1ccc(F)c(-c2nn[nH]n2)c1 1606678452 VDWIDWGBRGJNON-SECBINFHSA-N 306.257 -0.274 30 20 DBED Cn1c(N2CCC(CC(=O)O)CC2)c(C#N)c(=O)n(C)c1=O 1608090798 FRLNZLLVIGBVAG-UHFFFAOYSA-N 306.322 -0.353 30 20 DBED Cc1ncc(C(=O)N2CC[C@H](NCC(=O)NCC#N)C2)s1 1731431304 LPRMWWOVEAMFIV-JTQLQIEISA-N 307.379 -0.105 30 20 DBED C=CCNC(=O)CN[C@@H](C)CCNC(=O)c1cc[n+]([O-])cc1 1753002099 WGCCPSFNWNVTKX-LBPRGKRZSA-N 306.366 -0.280 30 20 DBED C#CCN1CC[C@H](CNC(=O)[C@@H](C)NS(=O)(=O)CC)C1 1753128947 KXXACJJVVMWXTN-VXGBXAGGSA-N 301.412 -0.615 30 20 DBED Cc1cc(C(=O)NCCN(CC(=O)NCC#N)C2CC2)no1 1753152172 ZUUIXLLTQQITKI-UHFFFAOYSA-N 305.338 -0.183 30 20 DBED COCC#CCNC[C@@H](C)N(C)C(=O)[C@@H]1CCc2nncn2C1 1753729145 HJQAOZMOCBUPLM-ZIAGYGMSSA-N 319.409 -0.073 30 20 DBED C#CCNC(=O)[C@H](C)N(C)CCN(C)C(=O)CCn1ccnc1 1753858575 HQQVLJYSTBVKOG-AWEZNQCLSA-N 319.409 -0.199 30 20 DBED C#CCCN(C)CCN(C)C(=O)CN(C)S(=O)(=O)CC 1753866383 GRTOUSIOJBMAKS-UHFFFAOYSA-N 303.428 -0.319 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2[C@H]3C[C@H]2N(CCOCCO)C3)c[nH]1 1754424039 ONMQHGIRWNISQI-IACUBPJLSA-N 304.350 -0.302 30 20 DBED CNC(=O)NC(=O)[C@@H](C)N1CC[C@H]1CNC(=O)C#CC1CC1 1754483005 DTMOTSMSDNUGSG-PWSUYJOCSA-N 306.366 -0.566 30 20 DBED CC#CCNC[C@]1(C)CCN(C(=O)CN2CC(=O)N(C)C2=O)C1 1754710515 HDKVKQWCEJNMTM-INIZCTEOSA-N 320.393 -0.268 30 20 DBED C[C@H]1CN(C(=O)c2cn(C)cn2)C[C@@H]1CNCC(=O)NCC#N 1754812641 VQIDNAGZBKJZFB-RYUDHWBXSA-N 318.381 -0.642 30 20 DBED C#CCNC(=O)[C@H](C)NCCN(CCO)C(=O)[C@@H]1CC1(F)F 1754882308 ZAIFQRVPNRAAFN-QWRGUYRKSA-N 317.336 -0.810 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(NCC(=O)NCC#N)CCC1 1754980108 PVVQAOINSSVLDL-CQSZACIVSA-N 308.382 -0.418 30 20 DBED Cc1nc(C)n(CCNC[C@H]2CN(C(=O)[C@H](C)C#N)CCO2)n1 1754995905 JLWGASWWIWJSMY-RISCZKNCSA-N 320.397 -0.128 30 20 DBED CC[C@@]1(C(=O)NC[C@H]2CCC3(CN(CC#N)C3)O2)CCNC1=O 1755054855 WOQKIOINNWVBIS-MLGOLLRUSA-N 320.393 -0.224 30 20 DBED C#CCNC[C@H]1C[C@H](NC(=O)C2(n3cnnn3)CCOCC2)C1 1755480783 LCAVVOGNFNNEBL-JOCQHMNTSA-N 318.381 -0.704 30 20 DBED C#CCNC(=O)[C@H](C)N(C)C1CCN(C(=O)c2cnon2)CC1 1755534390 LMJWKJTWFKNLRB-NSHDSACASA-N 319.365 -0.256 30 20 DBED CN(C(=O)c1ccncn1)[C@H](CNCC(=O)NCC#N)C1CC1 1755570179 WIOMSZBPJBCVNO-CYBMUJFWSA-N 316.365 -0.443 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H](CO)NCC#CCOC)nc1 1755645531 SFPORCXOXQGGIZ-AWEZNQCLSA-N 301.346 -0.607 30 20 DBED C=CCCC(=O)NC1(CCO)CN(C(=O)[C@H]2CC[C@H]2C(N)=O)C1 1756078442 RDINRRLGVOFKMA-NEPJUHHUSA-N 323.393 -0.456 30 20 DBED C#CCOCCC(=O)N(C)C[C@H](C)NC(=O)c1cnn(C)n1 1756453901 XINVVGMLCQFLHK-NSHDSACASA-N 307.354 -0.568 30 20 DBED C#CCCCC(=O)NC[C@H](CO)NC(=O)c1ccn(CC)n1 1756515724 OLWCKPJHZXHPDO-GFCCVEGCSA-N 306.366 -0.087 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)CCn1cncn1)CCO2 1783053705 OOVLIPFIEAXNKJ-OAHLLOKOSA-N 317.349 -0.869 30 20 DBED N#CCC(=O)N1CC[C@@H](CNC(=O)C(O)O)[C@H]1c1cccnc1 1802917282 OGLBOSGXPKHMPK-WCQYABFASA-N 318.333 -0.688 30 20 DBED COCC(=O)N1CCN(S(=O)(=O)CCCCC#N)CC1 68881770 FGZNPRLYIZBELC-UHFFFAOYSA-N 303.384 -0.199 30 20 DBED C=CCNC(=O)NC(=O)CN1CCC[C@@H]1CN1CCOCC1 75889788 RPQVHHNFWPFFHF-CYBMUJFWSA-N 310.398 -0.205 30 20 DBED CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCN(C(=O)CO)CC1 152859398 VEOUQJIFITXSFT-DOMZBBRYSA-N 310.398 -0.434 30 20 DBED C/N=C(/NCc1nnc2n1CCC2)N1CCO[C@@H](COC)C1 261999381 TYFVQMPQLDGABI-LLVKDONJSA-N 308.386 -0.353 30 20 DBED Cc1cc(C(=O)N[C@@H](C)CC#N)nc2c1c(=O)n(C)c(=O)n2C 265657396 PZRANCRJRKLURB-VIFPVBQESA-N 315.333 -0.027 30 20 DBED CNS(=O)(=O)c1ccc(C(=O)N[C@@](C)(C#N)COC)cn1 274685969 SRHJPKKNDOSGNU-LBPRGKRZSA-N 312.351 -0.352 30 20 DBED C#CCN(CC#N)C(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 281473458 GVOWOBROOKMPEN-HBJVGIJOSA-N 315.329 -0.476 30 20 DBED COC[C@H](C)/N=C(/O)NC(=O)CN1C[C@@H]2OCCN(C)[C@H]2C1 331148842 BFDGCKFKYWRZMT-SRVKXCTJSA-N 314.386 -0.934 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CCS(=O)(=O)CC[C@H]1C 337159518 RWPYVUPXEYODBE-LLVKDONJSA-N 323.440 -0.024 30 20 DBED C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NCC#N 339924273 XXNJDOWMYMKVKO-QMMMGPOBSA-N 310.335 -0.908 30 20 DBED C=CCn1c(O)nnc1S(=O)(=O)CC(=O)N(C)C1CC1 341352874 NOQPJLLRUJOXMA-UHFFFAOYSA-N 300.340 -0.436 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2C=C[C@@H](CO)C2)C1=O 341926721 VNGLAKCCPWQEHL-ZJUUUORDSA-N 307.306 -0.984 30 20 DBED Cc1cccc([C@H](CC(=O)NCC(=O)NCC#N)NC(N)=O)c1 343537743 BFOUNENLXSZOLS-LBPRGKRZSA-N 317.349 -0.150 30 20 DBED N#Cc1ccc(S(=O)(=O)CCN2C[C@@H](O)C[C@@H]2CO)nc1 343682921 HLGGQTQOHOEZIV-NEPJUHHUSA-N 311.363 -0.846 30 20 DBED CN(CC#N)C(=O)CNS(=O)(=O)c1ccc2c(c1)COC2 347569325 PQJDDWNZNBJJSK-UHFFFAOYSA-N 309.347 -0.023 30 20 DBED C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NCCC#N 357108201 MGLUKSQDTWQIJI-CYBMUJFWSA-N 308.338 -0.368 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCOC[C@@]12CCOC2 369501760 ULHGMAZCVRRPTQ-RYUDHWBXSA-N 303.384 -0.186 30 20 DBED C#CCN1CCC(C(=O)N2CCC[C@@H](S(N)(=O)=O)C2)CC1 490897707 DVNYOSDLAOZDLX-CYBMUJFWSA-N 313.423 -0.389 30 20 DBED CCOC(=O)N1CCN(C(=O)CN2CCO[C@@H](C#N)C2)CC1 491245807 YKMZFZYMYZHKMH-LBPRGKRZSA-N 310.354 -0.489 30 20 DBED C#C[C@@H](CCC)NC(=O)c1nc(N)nc(N2CCOCC2)n1 491779158 GZKQRGSKJINYHC-JTQLQIEISA-N 304.354 -0.178 30 20 DBED C[C@H]1CN(C(=O)NCC(=O)NCC#N)C[C@]2(CCCOC2)O1 561577474 UKZLVVBTTOOHHL-FZMZJTMJSA-N 310.354 -0.394 30 20 DBED CN1CCC(CN=c2nc[nH]cc2C#N)(N2CCOCC2)CC1 564903787 ZSQJAIPDSOWYAT-UHFFFAOYSA-N 316.409 -0.021 30 20 DBED N#Cc1ccccc1CSCCNC(=O)C(=O)NC1CNC1 567597179 VMYYBGCHUGQACA-UHFFFAOYSA-N 318.402 -0.004 30 20 DBED CN1CCN(CC(=O)Nc2n[nH]c(C3CC3)c2C#N)CC1=O 576496234 WAQCYXKUZYQBMH-UHFFFAOYSA-N 302.338 -0.129 30 20 DBED C=CCC[C@H](CO)NC(=O)c1nc(N)nc(N2CCOCC2)n1 583758792 WXECUJMBEAYPBX-SNVBAGLBSA-N 322.369 -0.653 30 20 DBED COCCNC(=O)Cn1cc(NC(=O)N2CC(C#N)C2)cn1 590121383 SBHXSUAUTTUHSM-UHFFFAOYSA-N 306.326 -0.367 30 20 DBED N#C[C@@H]1CSCCN1C(=O)[C@@H]1CCCN(S(N)(=O)=O)C1 597475148 IFKPMSPODZTAIQ-NXEZZACHSA-N 318.424 -0.631 30 20 DBED C[C@H](O)C[C@@H]1CCCN1C(=O)C(=O)N1CCN(CCC#N)CC1 601460897 QQNMKHGQAWLBFN-KBPBESRZSA-N 322.409 -0.194 30 20 DBED N#CCCN1CCN(C(=O)C(=O)Nc2cnn(CCF)c2)CC1 602080250 MNVXNVBFJFTHFK-UHFFFAOYSA-N 322.344 -0.151 30 20 DBED C=C[C@@H](O)C(=O)N(CCCN(C)C)[C@H]1CCS(=O)(=O)C1 612055939 FCUBLSNEIJKRAC-NWDGAFQWSA-N 304.412 -0.499 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@@H](C)[C@H]2CCC(=O)N2)CC1 623603908 AAGSRGADRDAHPS-QWHCGFSZSA-N 322.409 -0.653 30 20 DBED C=CCOCCCNC(=O)C(=O)N1CCC[C@H]2C(=O)NC[C@H]21 658744907 ONPPDUQLNFVOON-VXGBXAGGSA-N 309.366 -0.568 30 20 DBED C=CCC[C@@H](CO)NC(=O)NCCNS(=O)(=O)N(C)C 665008774 WVEUQMAICGSTHD-JTQLQIEISA-N 308.404 -0.991 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)NC(C)C)C1=O 726042106 BZZREYHWTBWNJY-UHFFFAOYSA-N 311.294 -0.969 30 20 DBED Cn1c(N)c(C=NNc2cncc(Cl)n2)c(=O)n(C)c1=O 749809287 DZMDPYDFYJGBIJ-UHFFFAOYSA-N 309.717 -0.444 30 20 DBED COCC[C@H](NS(=O)(=O)c1cccc(F)c1C#N)C(N)=O 775739378 GAZXUXBTBWKHFH-JTQLQIEISA-N 315.326 -0.134 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N[C@@H](C)[C@@H]1CN(C)CCO1 783010526 FXFXGYAEGGXNDL-RYUDHWBXSA-N 319.427 -0.395 30 20 DBED C#CCOCCNC(=O)[C@@H]1CCCN(S(=O)(=O)CC)C1 784596301 ZUYMFGZRYISLMV-GFCCVEGCSA-N 302.396 -0.186 30 20 DBED COC(=O)[C@@]1(F)CCN(S(=O)(=O)N(C)C[C@@H](C)C#N)C1 800071303 NPSDPLZCDIYOKI-GXSJLCMTSA-N 307.347 -0.090 30 20 DBED C=CCN(CCOC)C(=O)C(=O)NC1COC(C)(C)OC1 806653772 LKCKRKIWCIXPGS-UHFFFAOYSA-N 300.355 -0.085 30 20 DBED CCn1ncn(N=Cc2ccc(F)c(S(N)(=O)=O)c2)c1=O 814234569 PMYKKHDOOVLIMQ-UHFFFAOYSA-N 313.314 -0.267 30 20 DBED C#CC[C@H](NC(=O)[C@H]1CC(c2cn(C)nc2C)=NO1)C(=O)OC 822415015 CAXOJAWMHBMWKR-WCQYABFASA-N 318.333 -0.097 30 20 DBED C#CCSCCNC(=O)[C@H]1CCCN(S(N)(=O)=O)C1 828458926 GHRRPAYBYQWBGE-JTQLQIEISA-N 305.425 -0.616 30 20 DBED C#CCN(CC(=O)N1C[C@@H](O)C[C@H]1CO)C(=O)OC(C)(C)C 832440082 IDKLZDJCSZRBRH-RYUDHWBXSA-N 312.366 -0.189 30 20 DBED C#CCO[C@@H](C)C(=O)OCC(=O)NC(=O)NCC(F)(F)F 837852213 OMSAJJOKCFBXRJ-ZETCQYMHSA-N 310.228 -0.044 30 20 DBED Cc1cccc(=O)n1C[C@@](C)(O)C(=O)N[C@H]1CCCN(O)C1=O 848133592 BULQWRJFKBXEGX-XHDPSFHLSA-N 323.349 -0.596 30 20 DBED C#C[C@@H](NS(=O)(=O)c1cc(C(=O)OC)no1)[C@H]1CCCO1 859114234 GPHCLVHQNPZMIS-PSASIEDQSA-N 314.319 -0.080 30 20 DBED C#CCN1CCC[C@H](NC(=O)N[C@@H]2CCCS(=O)(=O)C2)C1 888748151 MSSFIHAKSIQNQA-QWHCGFSZSA-N 313.423 -0.040 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C2CN(CCn3cccn3)C2)CC1 941339681 YLAMIDHWFIPAMX-AWEZNQCLSA-N 316.409 -0.129 30 20 DBED O=C1CC[C@H](C(=O)N[C@@H]2CCN(C(=O)C#CC3CC3)C2)CN1 941424471 YVDMYUJOWZFLHF-QWHCGFSZSA-N 303.362 -0.357 30 20 DBED Cn1oc(C(=O)N[C@H]2[C@H]3C[C@H]2N(C(=O)C#CC2CC2)C3)cc1=O 947018955 KDQKGNVWDGYILY-RWSFTLGLSA-N 315.329 -0.279 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)[C@H]1CCOC1 950755986 ZCVDYZIRBDWYLD-ZNMIVQPWSA-N 319.405 -0.162 30 20 DBED C=CCCn1cc(C(=O)N2CCC[C@H](NC(=O)C(N)=O)C2)nn1 950950967 WIZXNSCXBPMZSD-JTQLQIEISA-N 320.353 -0.940 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCC(N(C)C(=O)C(N)=O)CC1 954292304 PQALHYWQDKGRRS-ZDUSSCGKSA-N 320.393 -0.981 30 20 DBED CC#CCN1C[C@H](O)[C@H](CNC(=O)c2ccnc3ccnn23)C1 958135766 SGZCGHFAVIQAHX-OCCSQVGLSA-N 313.361 -0.225 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cccnc2)C1 958432000 XKFSFTYWEPSGAD-WXHSDQCUSA-N 302.334 -0.115 30 20 DBED C=CCCN1C[C@H](CNC(=O)c2cn(C)c(=O)nc2O)[C@@H](O)C1 958665913 DWDIIVPNRCDURT-JQWIXIFHSA-N 322.365 -0.916 30 20 DBED Cn1cnc2nc(O)cc(C(=O)N[C@H]3[C@@H]4CN(CC#N)C[C@@H]43)c21 960231233 BMRNZYAZPBKAKK-IAZYJMLFSA-N 312.333 -0.143 30 20 DBED Cc1nccc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)n1 963734636 DCNZUTMLOMLEGW-FXAINCCUSA-N 303.322 -0.754 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H]1COCCN1C(=O)CC 964233209 UVWYMTXMXJGPLN-KBPBESRZSA-N 307.394 -0.162 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)c2cc3n(n2)CCC3)C1 966973218 LBDZTZKFBOLCJB-WQAKAFBOSA-N 317.349 -0.710 30 20 DBED C#CCN1CC[C@@H](C)[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)C1 968544364 MHEDVCVAMSPSQX-PWSUYJOCSA-N 314.349 -0.509 30 20 DBED C#CCN1CC([C@@H](C)NC(=O)[C@H]2CCc3nnn(C)c3C2)C1 970334145 ITSOZJTWRYNEAX-NEPJUHHUSA-N 301.394 -0.010 30 20 DBED Cc1c(C(=O)N2CC[C@@]3(CN(CC#N)CCO3)C2)nnn1C 972309858 HSAKTUBUPPWQJT-CQSZACIVSA-N 304.354 -0.436 30 20 DBED CC#CCN1C[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)C(C)(C)C1 977468520 MVSBDLCWYCSZMZ-GFCCVEGCSA-N 320.393 -0.270 30 20 DBED CNC(=O)CN1C[C@H]2[C@H](CNC(=O)c3ccc(C#N)[nH]3)[C@H]2C1 978023041 RCUITLHNTKATIQ-CNDDSTCGSA-N 301.350 -0.460 30 20 DBED C#CCN1C[C@@H]2CC[C@H](NC(=O)CN3CCNC(=O)C3)C[C@H]2C1 980163942 SAGQUKXTKDTSJN-KKUMJFAQSA-N 318.421 -0.732 30 20 DBED C[C@@]12CN(CC#N)C[C@]1(C)CN(C(=O)C[C@@H]1NC(=O)NC1=O)C2 982298899 QBMJBUCELZHWBB-NZVBXONLSA-N 319.365 -0.722 30 20 DBED Cn1cnc(C(=O)NC[C@H]2CCN(C(=O)C#CC3CC3)C2)n1 982743148 VYKICBYPODUTNK-GFCCVEGCSA-N 301.350 -0.193 30 20 DBED CN(C(=O)c1c[nH]c(C#N)c1)[C@@H]1CCCN(C(=O)CC(N)=O)C1 983997327 JUGIAFCFABYPBJ-GFCCVEGCSA-N 317.349 -0.175 30 20 DBED C=CCN1CCCN(C(=O)c2cc(=O)n3[nH]cnc3n2)CC1 989478328 WRPVWUXOUDTVRY-UHFFFAOYSA-N 302.338 -0.249 30 20 DBED C#CCN[C@H]1C[C@H](C)N(C(=O)Cn2ncn3nccc3c2=O)C1 989511484 ORPTWHOLZLLHCZ-RYUDHWBXSA-N 314.349 -0.897 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)C(N)=O)[C@H]2C)cn1 989589936 PRXCBLLHNIXTKQ-SKDRFNHKSA-N 300.318 -0.733 30 20 DBED CN(C[C@@H]1CCCCN1C(=O)C(N)=O)C(=O)c1c[nH]c(C#N)c1 990584687 YOOJFERWDDAWMQ-LBPRGKRZSA-N 317.349 -0.175 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(NC(=O)Cn2nccn2)C1 991948214 DFSICSQAYPVKFR-JSGCOSHPSA-N 319.365 -0.414 30 20 DBED C#CCN1CC[C@]2(NC(=O)Cn3nc(C)n(C)c3=O)CCC[C@H]12 992452894 FVHDXOVXYDRRJX-XJKSGUPXSA-N 317.393 -0.363 30 20 DBED C=C1CC(C)(C(=O)NC2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)C1 999285080 ZHQSSWIWQVJPNK-NWDGAFQWSA-N 321.377 -0.297 30 20 DBED N#CCN1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCCO3)nn2)C1 999964165 XOGAMWKBMWWMQT-OLZOCXBDSA-N 304.354 -0.156 30 20 DBED C#Cc1cncc(C(=O)N2CC(NC(=O)Cc3nc[nH]n3)C2)c1 1000198051 FULFTWAKRGGWDD-UHFFFAOYSA-N 310.317 -0.636 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@H]1CN2C(=O)c1cc(=O)n(C)o1 1007280335 PRLUCHSCJSWDFW-GARJFASQSA-N 318.333 -0.047 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](NC(=O)c2cnn(C)n2)C(C)(C)C1 1008327403 HKKQSBQRPHMIPX-GXSJLCMTSA-N 304.354 -0.058 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](NC(=O)C(N)=O)[C@H](C(F)(F)F)C1 1008838318 KZULHLLWTKKOEC-RRKCRQDMSA-N 306.244 -0.863 30 20 DBED CN1CC[C@@H](C(=O)N2CCN(C(=O)C#CC3CC3)CC2)C1=O 1011107666 KXSPQSWAJFMYRS-CYBMUJFWSA-N 303.362 -0.451 30 20 DBED CC(C)N1CCO[C@H](C(=O)N2CCN(C(=O)[C@H](C)C#N)CC2)C1 1012144251 ZCYNFNNJIWSZOD-KGLIPLIRSA-N 322.409 -0.074 30 20 DBED Cc1nc(C(=O)N[C@H]2CCN(CC#N)C2)nn1-c1nc[nH]n1 1015454038 AHCZUHFCQRZVPD-VIFPVBQESA-N 301.314 -0.979 30 20 DBED C=CCCN1CC[C@@H](NC(=O)C2(n3cnnn3)CCOCC2)C1 1015822052 DSOKZXMGMOJHIJ-CYBMUJFWSA-N 320.397 -0.055 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)C1 1016340810 FCGCVMBKJZNTTQ-LBPRGKRZSA-N 318.381 -0.806 30 20 DBED C[C@H]1[C@@H](NC(=O)[C@H]2COC(=O)N2)CCN1C(=O)C#CC1CC1 1020249270 WAIJVLBLVVYSAE-ZMLRMANQSA-N 305.334 -0.386 30 20 DBED C#CCN[C@H]1C[C@H](NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 1020420008 BYRAMYZXZDONCV-FPCVCCKLSA-N 321.421 -0.264 30 20 DBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)C(N)=O)[C@H]1C 1020531061 QOSDOWZPAXJKNA-CYDGBPFRSA-N 323.393 -0.051 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)C[C@@H]2COC(=O)C2)C1 1023403883 LVWXXEHMVKZJRA-QJPTWQEYSA-N 324.377 -0.160 30 20 DBED COCc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2O)o1 1024616598 HMQMNFBXIBWXKZ-YUSALJHKSA-N 321.333 -0.113 30 20 DBED C#CCNC1CCC(NC(=O)CN2C(=O)CN(C)C2=O)CC1 1026603086 VDFUQLTXEUOSNJ-UHFFFAOYSA-N 306.366 -0.469 30 20 DBED C#CCN1[C@H]2CC[C@H]1CN(C(=O)[C@@H]1CCN(C)S1(=O)=O)C2 1029510757 KGXVNOJICOGSAQ-AVGNSLFASA-N 311.407 -0.671 30 20 DBED CNC(=O)[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C#N)[nH]1 1032361699 YATGTFOZKKTDCH-USWWRNFRSA-N 301.350 -0.080 30 20 DBED Cc1nn(CC(=O)N[C@H]2CC[C@H](NCC#N)CC2)c(=O)n1C 1034788168 ZRYCGDGAXWNIKS-HAQNSBGRSA-N 306.370 -0.569 30 20 DBED C=CCCN1CCO[C@H](CNC(=O)C2CS(=O)(=O)C2)C1 1035388588 YBHQOFWVYIEAJO-GFCCVEGCSA-N 302.396 -0.576 30 20 DBED CC#CCN1CC2(CCN(C(=O)[C@@H]3CN(C)C(=O)N3)CC2)C1 1035768522 KHKOSVLMOAEQBM-ZDUSSCGKSA-N 304.394 -0.042 30 20 DBED CC#CCN1CC2(CCN(C(=O)CN3C(=O)CNC3=O)CC2)C1 1035849098 SMFBKZIIWHZQPT-UHFFFAOYSA-N 318.377 -0.514 30 20 DBED N#CCN1CC[C@@H]2CN(C(=O)CN3CCC(=O)NC3=O)CC[C@H]21 1036865738 RRJMCEVRDLZQPO-VXGBXAGGSA-N 319.365 -0.625 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)Cc2ccnn2C)C1 1039585278 PRQSNLCVFZKSGE-XHDPSFHLSA-N 319.365 -0.798 30 20 DBED C=CCOCC(=O)N1CC[C@](O)(CNC(=O)[C@H]2CC2(F)F)C1 1039649735 FMJKHAUJIWGHLR-MFKMUULPSA-N 318.320 -0.076 30 20 DBED C#CCN1[C@H]2CCC[C@H]1CN(C(=O)[C@@H]1COCCN1C(C)=O)C2 1040010699 ZEMIIXKYZFUEBD-JYJNAYRXSA-N 319.405 -0.068 30 20 DBED CN1C[C@H](C(=O)N2CCC3(CCN(CC#N)CC3)C2)NC1=O 1040798782 SKHXLGGNLIDLDE-GFCCVEGCSA-N 305.382 -0.152 30 20 DBED N#Cc1cccnc1N1C[C@@H](O)[C@H](NC(=O)[C@H]2COCCO2)C1 1040928238 JFTQUUBCEAEMIQ-JHJVBQTASA-N 318.333 -0.966 30 20 DBED Cc1ccnc(N2C[C@@H](O)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)n1 1040964529 FYOMSVZBGTVRLT-CHWSQXEVSA-N 312.333 -0.036 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2ccncc2)C1 1041181333 VQFBJIIVTBJRKA-LBPRGKRZSA-N 319.361 -0.024 30 20 DBED Cc1nnsc1C(=O)NCC1(O)CN(C(=O)C#CC(C)C)C1 1041419266 HLTFFGCHQVFKKZ-UHFFFAOYSA-N 322.390 -0.191 30 20 DBED CC#CCN1CC[C@@]2(CCN(C(=O)CN3CC(=O)NC3=O)C2)C1 1041744191 YFSHFHCFIJSZKQ-MRXNPFEDSA-N 318.377 -0.514 30 20 DBED C=CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)c2ccnn2C)C1 1041918926 AUISVPSSXRLFHT-LLVKDONJSA-N 322.365 -0.686 30 20 DBED C#CCCCCC(=O)NCC1(O)CN(C(=O)CN(C)C(C)=O)C1 1042659048 YAZKEXHDSVXKRE-UHFFFAOYSA-N 323.393 -0.652 30 20 DBED Cc1c[nH]c(C(=O)NCC2(O)CN(C(=O)C#CC3CC3)C2)n1 1043222581 QYQUXUPEFWLLDT-UHFFFAOYSA-N 302.334 -0.565 30 20 DBED C[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1Nc1ncccc1C#N 1043339263 YUXHKOYRXYAFMX-ZYHUDNBSSA-N 312.337 -0.101 30 20 DBED C=C1CC(C)(C(=O)N2CC(O)(CNC(=O)Cn3ccnc3)C2)C1 1043715946 ZPFMKEZFMUOSDQ-UHFFFAOYSA-N 318.377 -0.071 30 20 DBED CC(C)[C@H](C(=O)N1CC(O)(CNC(=O)[C@H](C)C#N)C1)N(C)C 1045545712 AUEIXIGJANHPTM-VXGBXAGGSA-N 310.398 -0.578 30 20 DBED C#CCN1CC[C@H](N2CCN(C(=O)CO[C@H]3CCOC3)CC2)C1 1046027264 LRUHXFYUGVVMLH-HOTGVXAUSA-N 321.421 -0.356 30 20 DBED C#CCCN1CC[C@H](N2CCN(C(=O)C3(C(N)=O)CC3)CC2)C1 1046058523 NHGVSOKWZPCFHS-AWEZNQCLSA-N 318.421 -0.506 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@@H](C)OC)C1 1046815012 WATHFAHNTLZFHO-UTUOFQBUSA-N 312.366 -0.698 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CCNC2=O)C1 1047407077 YTTBCHQJMAEQIR-SRVKXCTJSA-N 315.801 -0.231 30 20 DBED C=C[C@](C)(O)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2ccc[nH]2)C1 1048226800 SPOYMIAEFGIIJZ-XEZPLFJOSA-N 321.377 -0.015 30 20 DBED C=CCN1CCOC[C@@H]1CNC(=O)[C@@H]1CCCS1(=O)=O 1051254903 ODMYKTJYJPLGMU-RYUDHWBXSA-N 302.396 -0.433 30 20 DBED C=CCN1CCOC[C@H]1CNC(=O)c1cccc(C(N)=O)n1 1051263808 LEVXGONVLQLMRN-LLVKDONJSA-N 304.350 -0.203 30 20 DBED COCC(=O)N1CCC(N(CCO)c2ccnc(C#N)n2)CC1 1051484059 ZRVSGOZLHSOVHR-UHFFFAOYSA-N 319.365 -0.216 30 20 DBED C=C(C)CN1CCC[C@@H](NC(=O)CN2CCNC(=O)C2)CC1 1052622053 MWQOWRRPKPEHOB-CQSZACIVSA-N 308.426 -0.035 30 20 DBED C=CCN1CC[C@H](N2CCC[C@H](NC(=O)C(N)=O)CC2)C1=O 1052675113 WRXOVXTWPWXXFP-RYUDHWBXSA-N 308.382 -0.771 30 20 DBED C#CCN1CCC[C@@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)CC1 1052764718 RKPLSXDKYVDPGF-LLVKDONJSA-N 320.349 -0.989 30 20 DBED C#CCN1CCC[C@@H](NC(=O)[C@H]2CN(C(C)=O)CCO2)CC1 1052905464 KHRIMOSZSZJSOO-HUUCEWRRSA-N 307.394 -0.162 30 20 DBED CCN1C[C@H](C(=O)N2CCOC3(CN(CC#N)C3)C2)CC1=O 1053279151 GNBNCQKPBBTDDY-GFCCVEGCSA-N 306.366 -0.708 30 20 DBED C=C(C)CCN1CC2(C1)CN(C(=O)[C@@H]1CN(C)C(=O)N1)CCO2 1053374606 HTIFMNJVPIQVMB-ZDUSSCGKSA-N 322.409 -0.111 30 20 DBED CC#CCN1CC2(CC[C@H](CNC(=O)c3cnnn3C)O2)C1 1053598030 NRMWKYLAOBNOKA-GFCCVEGCSA-N 303.366 -0.198 30 20 DBED C=CCN1CC2(CC[C@@H](CNC(=O)C3CS(=O)(=O)C3)O2)C1 1053604432 FXOHHGFQMAZJSO-LBPRGKRZSA-N 314.407 -0.433 30 20 DBED C=C(C)C[C@H](C)C(=O)N1CCC[C@@](CO)(NC(=O)C(N)=O)C1 1056091324 SJCBYBNUDPRXMY-XHDPSFHLSA-N 311.382 -0.456 30 20 DBED C[C@@H](C#N)C(=O)N[C@]1(CO)CCCN(C(=O)CCCN(C)C)C1 1056095913 FHRQYEADNUBRLE-XJKSGUPXSA-N 324.425 -0.042 30 20 DBED COCCCC(=O)N(CCO)CCNC(=O)c1ccc(C#N)[nH]1 1057079558 QYLKDNOONYDMJW-UHFFFAOYSA-N 322.365 -0.136 30 20 DBED N#Cc1nccnc1NC1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1 1057426642 BZTFVMVVCLNCSG-MNOVXSKESA-N 314.349 -0.127 30 20 DBED C=C[C@](C)(O)CC(=O)N(CCO)CCNC(=O)c1cn[nH]c1 1057449671 FZXCUYZXWOHWFW-AWEZNQCLSA-N 310.354 -0.713 30 20 DBED CO[C@@H](C(=O)NCCN(CCO)C(=O)C#CC1CC1)C1CC1 1057531161 GZHGIAICFAHJKQ-OAHLLOKOSA-N 308.378 -0.238 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)CCc1cncnc1 1058091417 RXRXCZBSMXXMSR-GFCCVEGCSA-N 319.365 -0.494 30 20 DBED CN1CCO[C@H](C(=O)N[C@@H]2CCN(c3ccc(C#N)cn3)C2)C1 1058316739 GPYXLQSUGVXGAN-KGLIPLIRSA-N 315.377 -0.021 30 20 DBED N#Cc1cncc(N2CC[C@H](NC(=O)[C@H]3COC(=O)N3)C2)n1 1058350983 XMUWEVPOPISMRV-WCBMZHEXSA-N 302.294 -0.848 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)CCc1ccn(C)n1 1058657190 SIAADQVKHOGKRD-GFCCVEGCSA-N 321.381 -0.551 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)[C@@H](C)Cc1cnc[nH]1 1058659240 VSNRPMQQPLMMMU-RYUDHWBXSA-N 321.381 -0.315 30 20 DBED CC(=O)N1CC(C(=O)N2CC[C@H](CCNC(=O)[C@@H](C)C#N)C2)C1 1059543731 UMXVYCDCSQERBS-AAEUAGOBSA-N 320.393 -0.021 30 20 DBED C=CCn1cc(C(=O)N2CCOC[C@@H]2CNC(=O)CC)nn1 1061156032 IFPDMHGRKUAQRK-NSHDSACASA-N 307.354 -0.169 30 20 DBED N#Cc1cnccc1N1CCC[C@@H]1CNC(=O)[C@@H]1CNC(=O)N1 1061440391 DVNKGRUHEMKSQM-NEPJUHHUSA-N 314.349 -0.280 30 20 DBED C=CCCC(=O)N1CCOC[C@@H]1CNC(=O)[C@H](C)CC(N)=O 1061750213 SARMKTQWWHHBEO-NEPJUHHUSA-N 311.382 -0.192 30 20 DBED Cc1nn[nH]c1C(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1C#N 1062553928 XOJUABOLRPWGMV-UWVGGRQHSA-N 310.321 -0.122 30 20 DBED C=CCCC(=O)N1CCO[C@H](CNC(=O)[C@@H]2CN(C)C(=O)N2)C1 1064959019 FNWREXXJTOFNGM-NEPJUHHUSA-N 324.381 -0.680 30 20 DBED O=C(Cc1cnc[nH]1)NC[C@@H]1CN(C(=O)C#CC2CC2)CCO1 1065137416 SWEMJFRTXAHIMU-CQSZACIVSA-N 316.361 -0.291 30 20 DBED C=CC(C)(C)C(=O)NC[C@@H]1CN(C(=O)Cn2nccn2)CCO1 1065195760 RKIBBJWMEMEAON-GFCCVEGCSA-N 321.381 -0.166 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](CNC(=O)c3cccnn3)C2)nc1 1067679129 ZVAFJANEFKAWCM-OCCSQVGLSA-N 324.344 -0.030 30 20 DBED CCC(=O)NCC(=O)N[C@H]1COC2(C1)CN(C(=O)[C@@H](C)C#N)C2 1068766600 JLWYRCZULSXYCY-WDEREUQCSA-N 322.365 -0.842 30 20 DBED CCN(CC)CC(=O)N[C@H]1COC2(C1)CN(C(=O)[C@H](C)C#N)C2 1068875304 OXXFRESTMWVPGU-CHWSQXEVSA-N 322.409 -0.026 30 20 DBED CN(C(=O)[C@H]1C[C@H]1C(N)=O)C1CC(Nc2cncc(C#N)n2)C1 1069794304 ONYORYBIIKVNLU-PPUYLDTBSA-N 314.349 -0.129 30 20 DBED C=CCC1(C(=O)NCC2(NC(=O)C(N)=O)CCOCC2)CCC1 1070228893 RZRTVPLVYJMXEU-UHFFFAOYSA-N 323.393 0.000 30 20 DBED Cn1nncc1C(=O)NCc1c[nH]nc1[C@@H]1CCN(CC#N)C1 1070407311 BUOTVRNSBHZWOT-SNVBAGLBSA-N 314.353 -0.219 30 20 DBED C=CCOCC(=O)N1CCC[C@@H](NC(=O)[C@@H]2CCC(=O)NC2)C1 1070547257 PCUSNVQUCPAALI-CHWSQXEVSA-N 323.393 -0.178 30 20 DBED N#CCN1C[C@H]2C[C@@H]3CN(C(=O)CN4CCOCC4)C[C@@]3(C1)O2 1070786802 OJCBAASTZZPVBF-IIAWOOMASA-N 320.393 -0.856 30 20 DBED C[C@@]1(C(=O)N2C[C@@H]3C[C@@H]4CN(CC#N)C[C@]3(C2)O4)CCC(=O)N1 1070848172 OBPALCJOVWGECK-SHUKQUCYSA-N 318.377 -0.520 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)Cc2cnc(C)o2)CC1 1070969592 YFRSUWKEDMJLEX-UHFFFAOYSA-N 318.377 -0.191 30 20 DBED C[C@H]1CN(C(=O)c2cnnn2C)C[C@@]2(CCN(CC#N)C2)O1 1071166908 PPDCHHIQXIFUEU-FZMZJTMJSA-N 304.354 -0.356 30 20 DBED COCC(=O)N(C)CC(=O)N[C@@H]1CCCN(C(=O)[C@@H](C)C#N)C1 1071229336 NIOXPAMRXKRNPZ-NWDGAFQWSA-N 324.381 -0.642 30 20 DBED C=CCCC(=O)N1C[C@H](C)[C@H](NC(=O)CS(=O)(=O)NC)C1 1071784538 GAYPOXSWNXFIKD-WDEREUQCSA-N 317.411 -0.535 30 20 DBED C#CCCCCC(=O)N[C@H]1CN(C(=O)c2nnn(C)n2)C[C@@H]1C 1072542991 FMIBTGROUZAEJQ-RYUDHWBXSA-N 318.381 -0.020 30 20 DBED C#CCN1CCC2(C1)CN(C(=O)[C@@H]1COCCN1C(C)=O)C2 1073443467 PWGBOSGRMQGBOJ-AWEZNQCLSA-N 305.378 -0.599 30 20 DBED C=CCN1CC[C@H](N[C@H]2CCN(C(=O)CC(N)=O)[C@H]2C)C1=O 1074575091 WBFYORNSUVRYNT-SRVKXCTJSA-N 308.382 -0.772 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)Cc1ccco1 1076218896 KUMYHODQWFUIRK-LBPRGKRZSA-N 319.361 -0.027 30 20 DBED C=CCN1CC[C@H](N2C[C@@H](O)[C@H](NC(=O)C(C)(F)F)C2)C1=O 1076678068 LFSWUUHBKULRCV-OUAUKWLOSA-N 317.336 -0.410 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2cnnn2-c2ccccc2)C1 1077756952 OYRBVAGWKPFRAQ-UKRRQHHQSA-N 311.345 -0.325 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)c2nnn(C(C)C)c2C)C1 1077906489 JYVOBBYLPSZEOX-CHWSQXEVSA-N 305.382 -0.034 30 20 DBED C=CCOc1cccnc1C(=O)N[C@@H]1CN(CCO)C[C@H]1O 1077977757 NTZNCBHVOZZRIO-VXGBXAGGSA-N 307.350 -0.586 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)C1 1078161509 XDLJPVLRXAQYCY-BPLDGKMQSA-N 319.405 -0.428 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N(CC)C(=O)CC(=O)NC)C1 1079661342 BBYKVVIUATTYNP-OLZOCXBDSA-N 323.393 -0.227 30 20 DBED C#CCOCCC(=O)N1CC(N(CC)C(=O)CCCC(N)=O)C1 1080030671 LBANSOYKWDJTCW-UHFFFAOYSA-N 323.393 -0.259 30 20 DBED CC#CCN1C[C@@H](NC(=O)[C@@H]2CN(C(C)=O)CCO2)[C@H](C)C1 1080873847 GTGYANPCJGPUMK-YUELXQCFSA-N 307.394 -0.307 30 20 DBED CC(=O)N(C)CC(=O)NC[C@@H]1CN(C(=O)C#CC(C)C)C[C@@H]1O 1081290189 UKFUVWHICROFMX-KGLIPLIRSA-N 323.393 -0.940 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1O 1081335690 NYEFSXVPJMIQTC-VXGBXAGGSA-N 307.354 -0.820 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)C(C)(C)F)C[C@H]1O 1081344852 VUVGPGMJGJSSKG-GHMZBOCLSA-N 302.346 -0.127 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)CCCC(N)=O)C[C@@H]1O 1081444358 HSRFXLGYADVQFE-STQMWFEESA-N 323.393 -0.619 30 20 DBED C#CCOCCC(=O)NC[C@H]1CN(C(=O)c2cnco2)C[C@H]1O 1081488617 KAFOBXQTYDLDKX-NWDGAFQWSA-N 321.333 -0.736 30 20 DBED C=CC(C)(C)C(=O)NC[C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1O 1081645595 PUBNZXFQJDBRFV-VXGBXAGGSA-N 321.381 -0.574 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cccn(C)c1=O 1083251714 DUOKCVPMMIQWQZ-LSDHHAIUSA-N 315.373 -0.066 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)Cc2c(C)cc(C)nc2O)C1 1083721328 XUQANVBKNRLFRH-KGLIPLIRSA-N 303.362 -0.259 30 20 DBED C=CCCN1CC[C@@H]2CN(C(=O)CN3CCN(C)C(=O)C3)[C@@H]2C1 1084464766 RKCFJERTHOSAJC-HUUCEWRRSA-N 320.437 -0.131 30 20 DBED C#CCN[C@H]1C[C@H](CNC(=O)[C@H]2CN3CC4CC3(CO2)C4)C1 1086432427 VHLNUKQIBSTLBN-RJZXRHAOSA-N 303.406 -0.033 30 20 DBED C[C@@H](C[C@@H](C)Nc1nccnc1C#N)NC(=O)CNC(N)=O 1089213921 DSOISBTWRACJPH-DTWKUNHWSA-N 305.342 -0.288 30 20 DBED CCN(c1ccc(C#N)nc1)[C@H](C)CNC(=O)Cn1cnnn1 1089584572 BMJKVAISJBFTJE-LLVKDONJSA-N 314.353 -0.029 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2nnn(C(C)(C)C)n2)[C@H](O)C1 1090278580 DVYARYBNNVCFRW-NWDGAFQWSA-N 320.397 -0.384 30 20 DBED Cc1cnc2c(C(=O)N[C@H]3CCN(CC#N)C[C@H]3O)cnn2c1 1090612453 NELSBWVYBCDPGI-QWHCGFSZSA-N 314.349 -0.274 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2cnn(C)c2OC)[C@H](O)C1 1090760186 NRZCEQNBUKEXQU-CHWSQXEVSA-N 306.366 -0.383 30 20 DBED Cc1ccnc2nc(C(=O)N[C@H]3CCN(CC#N)C[C@@H]3O)nn12 1090772901 CEZJDGSKJXNSAN-QWRGUYRKSA-N 315.337 -0.879 30 20 DBED CO[C@@H]1CN(c2nc(C)ccc2C#N)C[C@H]1NC(=O)CC(N)=O 1090877907 XWBYELUBQGYGEX-VXGBXAGGSA-N 317.349 -0.543 30 20 DBED CCOCCC(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@@H]1O 1091088366 CJVJDWKEHBOKKM-NEPJUHHUSA-N 305.338 -0.559 30 20 DBED CC(C)(O)CC(=O)N[C@H]1CCN(c2ccc(C#N)nn2)C[C@H]1O 1092144838 FBRVIQZIAZHGBG-NWDGAFQWSA-N 319.365 -0.435 30 20 DBED Cc1nn(CC(=O)N2C[C@H]3CN(CC#N)C[C@@]3(C)C2)c(=O)n1C 1092242688 XRYUZGKRSGDLSM-DOMZBBRYSA-N 318.381 -0.806 30 20 DBED Cc1cc(C#N)nc(NCCNC(=O)C[C@H]2CC(=O)NC2=O)n1 1093717374 KNFDIFDDPHGXSR-VIFPVBQESA-N 316.321 -0.762 30 20 DBED N#Cc1ccc(NCCNC(=O)C[C@H]2CCC(=O)NC2)nn1 1093924317 KBFJSMUVBIZOGD-SNVBAGLBSA-N 302.338 -0.207 30 20 DBED Cc1ncc(C(=O)N[C@@H]2CC(=O)N(C3CN(CC#N)C3)C2)[nH]1 1094715300 JVODTHHDAQNKPD-SNVBAGLBSA-N 302.338 -0.743 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)Cn3cncc3C)CC2=O)C1 1094760278 RWWDDUGMJMWLDL-CYBMUJFWSA-N 315.377 -0.774 30 20 DBED N#CCN1CC(N2C[C@@H](NC(=O)[C@]3(F)CCOC3)CC2=O)C1 1094778447 NGICCLKCRQEDOU-HZMBPMFUSA-N 310.329 -0.960 30 20 DBED N#Cc1nc(=NCCCNC(=O)C[C@@H]2CCCC(=O)N2)cc[nH]1 1094898721 IIARRSOMXHDBQE-NSHDSACASA-N 316.365 -0.253 30 20 DBED CN(CCCNC(=O)C(=O)NCC1CC1)c1nccnc1C#N 1095617812 RUNWNLJPYHJQEH-UHFFFAOYSA-N 316.365 -0.183 30 20 DBED C[C@H](CC(N)=O)C(=O)N[C@H]1CCCN(c2cncc(C#N)n2)C1 1096218288 GIIAVEAQSGAKTM-MNOVXSKESA-N 316.365 -0.055 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(c2nccn3nnnc23)C1 1096334358 ICIZIQRNPONYFO-SNVBAGLBSA-N 303.326 -0.583 30 20 DBED C[C@H](CC(=O)N[C@@H]1CCN(c2ccc(C#N)nn2)C1)NC(N)=O 1096439963 PCJSDLLULLHKNJ-MWLCHTKSSA-N 317.353 -0.510 30 20 DBED CNC(=O)CC(=O)NC[C@@H](Nc1cncc(C#N)n1)C1CC1 1096652697 AGWSLCJOPHYUAS-LLVKDONJSA-N 302.338 -0.209 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H]1C[C@@H](Nc2nccn3nnnc23)C1 1097221014 JNSSLYZOVZDXJN-GARJFASQSA-N 315.337 -0.383 30 20 DBED C#CCCN(CCO)C1CCN(C(=O)[C@H]2CCCC(=O)N2)CC1 1098401256 KDMZJQAWCSORID-OAHLLOKOSA-N 321.421 -0.036 30 20 DBED COC[C@H](C)C(=O)N1CC[C@@H](n2cc(CNCC#N)nn2)C1 1098645610 RJYHBWGUEUZBTO-WCQYABFASA-N 306.370 -0.053 30 20 DBED C#CCCCC(=O)N1CC[C@H](n2cc(CNCC(N)=O)nn2)C1 1098666870 JMSBXTTXAAKGPV-ZDUSSCGKSA-N 318.381 -0.570 30 20 DBED N#CCNCc1cn([C@H]2CCN(C(=O)[C@@]34COC[C@@H]3C4)C2)nn1 1098676402 OIKWLBVGZAJYIG-WHOFXGATSA-N 316.365 -0.299 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)c2cccs2)[C@@H](O)C1 1099629821 ICKPSEIPETVKEU-NEPJUHHUSA-N 321.402 -0.338 30 20 DBED Cn1ccc(CN2CC[C@H](NC(=O)CSCC#N)[C@H](O)C2)n1 1099690225 LSCROUUICZQADY-QWHCGFSZSA-N 323.422 -0.272 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(Cc2nncs2)C[C@H]1O 1099737789 DNRRWALEMSRQQU-WDEREUQCSA-N 312.395 -0.208 30 20 DBED CCCCNC(=O)CN1CC[C@H](NC(=O)C#CC2CC2)[C@H](O)C1 1099826527 MGPUPOCCOVQOAI-LSDHHAIUSA-N 321.421 -0.133 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2ccns2)[C@H](O)C1 1099853705 UYLKHBPRDGABGJ-VXGBXAGGSA-N 309.391 -0.042 30 20 DBED CC#CCN1CC[C@H](NC(=O)CCCNC(=O)C2CC2)[C@H](O)C1 1099858941 UDPFAYNETBAFMG-LSDHHAIUSA-N 321.421 -0.133 30 20 DBED COCC#CCN1CC[C@H](NC(=O)Cc2nonc2C)[C@@H](O)C1 1100056129 PFRIFHIBUDKJAH-JSGCOSHPSA-N 322.365 -0.878 30 20 DBED CN(CCNC(=O)[C@H]1CCNC(=O)CC1)c1nccnc1C#N 1100237767 ZFQVRQLADGFMQC-LLVKDONJSA-N 316.365 -0.183 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CC(CNC(=O)c2cncnc2)C1 1100266404 ITLMOTPSLJOPGA-LKSINWNRSA-N 315.377 -0.288 30 20 DBED CCN(CCNC(=O)C[C@@H](C)NC(N)=O)c1cnc(C#N)cn1 1100621994 WDMGXHDCGYAGLI-SNVBAGLBSA-N 319.369 -0.262 30 20 DBED CCC(=O)N[C@H]1CC2(CN(CC(=O)NCC#N)C2)n2ccnc21 1101600463 DQCXQTKEXPZDRL-NSHDSACASA-N 316.365 -0.495 30 20 DBED C[C@H](CC(=O)N(C)CCN=c1cc[nH]c(C#N)n1)NC(N)=O 1101785835 LKVCAFFNXONVBM-SECBINFHSA-N 305.342 -0.913 30 20 DBED CC[C@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)N=c1cc[nH]c(C#N)n1 1103261741 RUYNTMPTDPVYKA-ZJUUUORDSA-N 317.353 -0.900 30 20 DBED CNC(=O)NCC(=O)N(C)[C@@H](C)CNc1ccc(C#N)nn1 1104856628 YFVNOTARVWLFST-VIFPVBQESA-N 305.342 -0.464 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H]1CCC[C@@H]1NC(=O)CNC(N)=O 1105653898 BXJQABMEPSYTKA-GWCFXTLKSA-N 316.365 -0.260 30 20 DBED N#Cc1cccnc1NC[C@H](O)CNC(=O)Cn1cccn1 1105722793 YPQDCEOSUMVRLY-GFCCVEGCSA-N 300.322 -0.261 30 20 DBED CC(=O)N(C)CC(=O)NC[C@@H](O)CNc1ncc(C#N)cc1F 1105777595 BHPIWDMMWWFQDU-LLVKDONJSA-N 323.328 -0.540 30 20 DBED N#Cc1nccnc1NC[C@@H](O)CNC(=O)CCc1ncc[nH]1 1105804465 RTIKWJNQRDSZON-JTQLQIEISA-N 315.337 -0.407 30 20 DBED C[C@]1(C(=O)NC[C@@H](O)CNc2ccc(C#N)cn2)CNC(=O)C1 1106028807 YITKPNAIJPSPEM-XHDPSFHLSA-N 317.349 -0.632 30 20 DBED C[C@@H]1CCN(CC(=O)NC[C@H](O)CNc2cncc(C#N)n2)C1 1106104067 GZUYPNKAMHKZFG-DGCLKSJQSA-N 318.381 -0.421 30 20 DBED C[C@H](CCNc1ccc(C#N)cn1)NC(=O)[C@@H]1CNC(=O)N1 1106542322 DMOVJKVUECQGLO-KOLCDFICSA-N 302.338 -0.059 30 20 DBED CN1CCC[C@@H]1C(=O)NC/C=C/CN=c1cc[nH]c(C#N)n1 1107117325 RERKUPBDCTXIBY-QAVQXKDTSA-N 300.366 -0.051 30 20 DBED C#CCOCCC(=O)NC/C=C\CNc1nccn2nnnc12 1107345895 JYWPAWDHWXNKSY-ARJAWSKDSA-N 315.337 -0.357 30 20 DBED C[C@@]1(CNC(=O)CCCCNC(N)=O)CN(CC#N)CCO1 1108057740 KEBHHEQUUGPUBZ-CQSZACIVSA-N 311.386 -0.444 30 20 DBED C=CCN1CCO[C@](C)(CNC(=O)CN2CC(=O)N(C)C2=O)C1 1108337676 AIEUBNKDSIEXNP-OAHLLOKOSA-N 324.381 -0.727 30 20 DBED Cc1cc(C#N)nc(NC[C@H](C)NC(=O)Cc2nc[nH]n2)n1 1108516940 XSIAADMALKUFQB-VIFPVBQESA-N 300.326 -0.066 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)[C@H](OC)C3CC3)CC2=O)C1 1108541350 UMMZMXZRURVVDA-SWLSCSKDSA-N 307.394 -0.001 30 20 DBED C[C@@H](CN(C)c1cnc(C#N)cn1)NC(=O)[C@]1(C)CCNC1=O 1109235440 DHHUYCAOVQZITG-ZUZCIYMTSA-N 316.365 -0.185 30 20 DBED C=CCOCCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CNC(=O)NC 1109375550 DXDCVYLMEZRUEX-AGIUHOORSA-N 310.398 -0.161 30 20 DBED C[C@@H]1OCCO[C@@H]1C(=O)N(C)CCCN=c1cc[nH]c(C#N)n1 1109654807 QRSNCIZOOXILAV-FZMZJTMJSA-N 319.365 -0.166 30 20 DBED C#CCOCCC(=O)NC[C@H]1COCCN1c1ncc(F)cn1 1111700586 SIYYXMFAGKCBQI-ZDUSSCGKSA-N 322.340 -0.023 30 20 DBED Cc1cc(CC(=O)N2CCN(CC(=O)NCC#N)CC2)n[nH]1 1112763603 CVETZIIVTPVQSO-UHFFFAOYSA-N 304.354 -0.955 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCN([C@@H]2CCC(=O)NC2=O)CC1 1112813853 CFYZOOYPZVJBLZ-ABAIWWIYSA-N 309.366 -0.737 30 20 DBED Cc1nc(CC(=O)N[C@H](C)[C@H](C)N=c2cc[nH]c(C#N)n2)n[nH]1 1113003901 HQTAXTYBTBNFMI-DTWKUNHWSA-N 314.353 -0.256 30 20 DBED CC#CCN1CCN(C(=O)CS(=O)(=O)CCOC)CC1 1113027646 WVQRBPOBTOYKEJ-UHFFFAOYSA-N 302.396 -0.785 30 20 DBED C[C@@H](CNC(=O)CSCC#N)N(C)c1ccc2nnnn2n1 1113496080 GQSFJYZKVMJYAH-VIFPVBQESA-N 320.382 -0.283 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)[C@H]2C[C@@]23CCOC3)CC1 1113504512 RLWCMGCVQREENQ-IUODEOHRSA-N 306.366 -0.803 30 20 DBED C[C@H](CNC(=O)[C@@H]1COCCN1C)N(C)c1ccc(C#N)nn1 1113559926 FTYRAFXZBRRKIY-YPMHNXCESA-N 318.381 -0.380 30 20 DBED C[C@H](CNC(=O)CCn1cnnn1)N(C)c1cncc(C#N)n1 1113685906 LTLGZPYNMZIZHU-SNVBAGLBSA-N 315.341 -0.634 30 20 DBED CCN(C)C(=O)CN1C[C@H]2[C@H](NC(=O)CSCC#N)[C@H]2C1 1113891365 QMEXRRRWBBZBJV-YABSGUDNSA-N 310.423 -0.232 30 20 DBED COCc1noc(CN2C[C@H]3C(NC(=O)[C@H](C)C#N)[C@@H]3C2)n1 1114064765 VDGAPMNIHOALNA-OPRDCNLKSA-N 305.338 -0.078 30 20 DBED Cc1cc(CC(=O)NC2[C@H]3CN(CC(=O)NCC#N)C[C@H]23)no1 1114074910 SLMAUJHVCNPOFL-RYUDHWBXSA-N 317.349 -0.788 30 20 DBED CC(C)(C)C(=O)C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1114077006 LCWWSUXWURQXBI-IAZYJMLFSA-N 306.366 -0.712 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)[C@@H](C)n3cncn3)[C@@H]2C1 1114146609 DIDGTLYECKYGCU-JHJVBQTASA-N 303.366 -0.465 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)C3=CCOCC3)[C@H]2C1 1114165192 DABMSGDKIPTFGV-SPWCGHHHSA-N 317.389 -0.483 30 20 DBED Cc1nc(C(=O)N[C@H]2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]32)co1 1114178634 QQIZLBWRDPWPBQ-IWIIMEHWSA-N 303.322 -0.717 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@H]1[C@@H]2CN(CCS(C)(=O)=O)C[C@@H]21 1114194436 PQFATEHCIPCFRI-UVLXDEKHSA-N 316.423 -0.596 30 20 DBED Cn1[nH]c(CN2C[C@H]3[C@H](NC(=O)C#CC4CC4)[C@H]3C2)nc1=O 1114253722 TYYRCWAQDKOMAG-YABSGUDNSA-N 301.350 -0.932 30 20 DBED N#CCNC(=O)CN1C[C@H]2C(NC(=O)[C@H]3CCC3(F)F)[C@@H]2C1 1114447011 DUZOCIXEBYIIEA-OPRDCNLKSA-N 312.320 -0.282 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)[C@@H]3CCO[C@H]3C=C)[C@@H]2C1 1114860307 YZDWYIOGDCPSOV-SYQHCUMBSA-N 317.389 -0.627 30 20 DBED C[C@H]1CN(CCNC(=O)C(=O)Nc2cnn(CC#N)c2)CCO1 1116332154 NERSAZSOWWTWBE-NSHDSACASA-N 320.353 -0.818 30 20 DBED C=CC[C@@H](CC)NC(=O)C(=O)NCCNC(=O)c1cc[nH]n1 1117584694 WEEJCRZWRMVDQT-SNVBAGLBSA-N 307.354 -0.273 30 20 DBED CCN(C)C(=O)[C@H](C)NC(=O)C(=O)Nc1ccc(C#N)cn1 1117751298 PKCLLUUUYGPTLH-VIFPVBQESA-N 303.322 -0.125 30 20 DBED CC(C)CN1CCN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)CC1 1118183262 GNGVQHQDKGTXCO-MRXNPFEDSA-N 322.409 -0.336 30 20 DBED CCC[C@H]1CN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)CCO1 1118185262 XMTXOOBYTLQSEI-WFASDCNBSA-N 309.366 -0.109 30 20 DBED C#CCNC(=O)CN1CCN(CCC(=O)N(C)CCC#N)CC1 1118366142 RTUCGFXZBZPPAZ-UHFFFAOYSA-N 319.409 -0.884 30 20 DBED COC[C@H](C)C(=O)NC[C@@H](CO)N=c1cc(C)[nH]cc1C#N 1121324716 PRZROOCBORSPDA-GWCFXTLKSA-N 306.366 -0.145 30 20 DBED N#Cc1cncc(N[C@@H](CO)CNC(=O)Cc2cc[nH]n2)n1 1121398896 KMORKUHZLDNYNS-LLVKDONJSA-N 301.310 -0.797 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)[C@@H]2CCC(=O)NC2)nc1 1122830360 TZZGBFNRJJPXIP-NEPJUHHUSA-N 317.349 -0.632 30 20 DBED N#Cc1ccc(NC[C@H]2CC[C@@H](NC(=O)CNC(N)=O)C2)nn1 1123719286 MXNPYVQVEHWTRC-VHSXEESVSA-N 317.353 -0.287 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)CSCC#N 1124111737 LSZDYHCVGWTKNI-SNVBAGLBSA-N 320.378 -0.742 30 20 DBED CN(C(=O)CS(C)(=O)=O)C1CC(Nc2nccnc2C#N)C1 1126859144 ICLIWHQCYCBGKZ-UHFFFAOYSA-N 323.378 -0.206 30 20 DBED C#CCOCCC(=O)NCCNCCCS(=O)(=O)C(C)C 1127023786 QXWILCWTPQKPJA-UHFFFAOYSA-N 318.439 -0.055 30 20 DBED C#CCNC(=O)CNCCNC(=O)C[C@H](C)n1ccnc1CC 1127679068 GWEMQYDVMUSYLE-ZDUSSCGKSA-N 319.409 -0.148 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1nn(C)cc1Cl 1128103758 CSZIRHTYDPCWFZ-VIFPVBQESA-N 311.773 -0.469 30 20 DBED C=CCCC(=O)N[C@@H]1CN(C[C@H](O)COC)C[C@@H]1n1ccnn1 1128816626 OLBHILKGSFUCSV-MJBXVCDLSA-N 323.397 -0.407 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)c1ccnnc1C 1130867487 GXBJGDKERGPFEQ-UHFFFAOYSA-N 320.353 -0.884 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)CN(C)C(C)=O)C[C@@]3(C1)O2 1131194194 OBJZKFCKKDCPMT-IIAWOOMASA-N 305.378 -0.600 30 20 DBED C#CCCN1C[C@H]2C[C@H]3CN(C(=O)CC(=O)NC)C[C@@]3(C1)O2 1131224546 QWCBFCFFIVJWRW-WOSRLPQWSA-N 305.378 -0.553 30 20 DBED CC#CCN1C[C@H](NC(=O)CN(C)S(C)(=O)=O)CC[C@H]1C 1132076677 CFBWNSXDKKBCBK-CHWSQXEVSA-N 315.439 -0.130 30 20 DBED C#CCN1C[C@H](NC(=O)CCNS(C)(=O)=O)CC[C@@H]1C 1132076767 DCFUEWSUDFTNSW-NWDGAFQWSA-N 301.412 -0.472 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)CCCC(N)=O)CC[C@@H]1C 1132533590 PACSXHMNWHGUFF-STQMWFEESA-N 322.409 -0.640 30 20 DBED C#CCNC[C@H]1CN(C(=O)c2cnc(O)n(C)c2=O)CC[C@@H]1C 1133026668 OCWUXJRFUAWKNE-RYUDHWBXSA-N 318.377 -0.193 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)C[C@@H](C)NCc1cnnn1C 1134130049 BIZLWEFJMSJMDK-VXGBXAGGSA-N 320.397 -0.673 30 20 DBED COCC#CCN[C@@H](C)C[C@@H](C)NC(=O)CN1CCCNC1=O 1134848302 MYQJEGPJSIJUOG-UONOGXRCSA-N 324.425 -0.076 30 20 DBED C=CCCn1cc(C(=O)NCCN[C@@H]2CCCN(C)C2=O)nn1 1135075725 WEIOFSOAORTAPB-GFCCVEGCSA-N 320.397 -0.206 30 20 DBED C#CCN[C@H](C)C[C@H](C)NC(=O)c1c[nH]nc1S(N)(=O)=O 1135458956 BKTGGYYTHPXUGW-BDAKNGLRSA-N 313.383 -0.823 30 20 DBED C=CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)CCc1cnn[nH]1 1135496787 LRSNQFIFWCFFEQ-VXGBXAGGSA-N 322.413 -0.088 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1nccn2cc(C)nc12 1146998431 HTGVTTMTBFLFCR-UHFFFAOYSA-N 314.349 -0.893 30 20 DBED C=CCOCC(=O)N1CC2(CCN(CCN3CCNC3=O)C2)C1 1147250116 DJZHBYHKJSUYJV-UHFFFAOYSA-N 322.409 -0.252 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)C[C@@H]2CCC(=O)N2C)C1 1150077759 BBGKJBYAGLRWPU-KBPBESRZSA-N 307.394 -0.162 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)CN1CCCCCC1=O 1150387360 HNODFQKJHKRFAQ-ZDUSSCGKSA-N 322.409 -0.767 30 20 DBED CC#CCN(CC)[C@H](C)CNC(=O)c1cnc(O)n(C)c1=O 1154570140 ZBFRZMCKTSMOSQ-LLVKDONJSA-N 306.366 -0.051 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)[C@@H]2COCCN2C)C1=O 1156799622 XLAJMLQZWCEJDA-KGLIPLIRSA-N 324.425 -0.800 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@H]1CN2CCC1CC2 1158197189 SGIXJUJATKHNCV-AWEZNQCLSA-N 306.410 -0.827 30 20 DBED C[C@H](C#N)C(=O)NCCC1(CN[C@@H]2CCC(=O)NC2=O)CC1 1163859572 FVNXOGRZQUEXFQ-GHMZBOCLSA-N 306.366 -0.173 30 20 DBED C=CCNC(=O)CNCCCNC(=O)C(=O)N1CCC[C@@H](C)C1 1167736785 LHDDKWJCVIRYAH-CYBMUJFWSA-N 324.425 -0.357 30 20 DBED C=C(Cl)CNCCCNC(=O)CCn1cc[nH]c(=O)c1=O 1168512958 LPKIOQSPJISHRE-UHFFFAOYSA-N 314.773 -0.225 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)c1cc(CC)nn1C 1169100390 GZZPCJNJQPTYOJ-LBPRGKRZSA-N 319.409 -0.170 30 20 DBED C=CCNC(=O)CNCCCNC(=O)CNC(=O)C1CCC1 1176906742 IWZIVERVIALTEI-UHFFFAOYSA-N 310.398 -0.699 30 20 DBED C=C(C)CCN1CCO[C@@H]2CCN(C(=O)CNC(N)=O)C[C@H]21 1176907744 SCQJZHDDYBTYEJ-CHWSQXEVSA-N 310.398 -0.077 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)C[C@H]2CCC(=O)N2)[C@H]1C 1179699275 PXWSVNXFQCVODD-XQQFMLRXSA-N 322.409 -0.464 30 20 DBED C[C@@H]1CN(C(=O)[C@@H]2CCOC2)C[C@@]1(C)CNCC(=O)NCC#N 1180859055 ZXBMLZKAIMIJMP-XJKCOSOUSA-N 322.409 -0.263 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)CCC(=O)NCCC)C1 1187194178 QINQCLJZMPNRIS-CYBMUJFWSA-N 322.409 -0.767 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2cnccn2)C1 1188676048 QBUWRNWLKXPJQK-LBPRGKRZSA-N 301.350 -0.628 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC[C@H](N(C)CC(=O)NC(N)=O)C1 1189919256 ZYVFEERQLWGGEG-IINYFYTJSA-N 312.370 -0.959 30 20 DBED CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H](N(C)CC#N)C1 1190290047 INQDJABGQCEFTL-MNOVXSKESA-N 302.400 -0.630 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2cn(C)c(O)n2)C1 1192152436 HHESQEDLWLNIJA-LLVKDONJSA-N 321.381 -0.426 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)CCc2c(C)ncnc2O)C1 1194400039 YVJBDYZDFJENDT-ZIAGYGMSSA-N 318.377 -0.392 30 20 DBED Cn1cc(CC(=O)N2CCCN(CC(=O)NCC#N)CC2)cn1 1195167900 QZMPTHIXLKZFHV-UHFFFAOYSA-N 318.381 -0.863 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)c2cocc2C)C1 1195333568 KAZUACXXNDVMOZ-MRVWCRGKSA-N 319.361 -0.499 30 20 DBED COCC#CCN1CCCN(C(=O)[C@]2(C)CCC(=O)N2)CC1 1197083446 NXBCBDXUPPHCNZ-INIZCTEOSA-N 307.394 -0.161 30 20 DBED C#CCNC[C@H]1CN(C(=O)[C@@H](C)CN2CCOCC2)CCCO1 1202071166 XPCYPYKWBGSYGA-HOTGVXAUSA-N 323.437 -0.205 30 20 DBED N#CCNC1CCN(C(=O)CCC(=O)N2CCOCC2)CC1 1203598876 KEVRCAABJVYQON-UHFFFAOYSA-N 308.382 -0.270 30 20 DBED C=CCNCC1CCN(C(=O)Cn2ccc(O)nc2=O)CC1 1205635383 FKNSLGNDXSGASI-UHFFFAOYSA-N 306.366 -0.037 30 20 DBED COCC#CCNCC1CCN(C(=O)c2cnn(C)n2)CC1 1206587524 KQZWLNMEGWUSBK-UHFFFAOYSA-N 305.382 -0.093 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)Cc2ccnn2C)[C@H](C)C1 1206906800 ZPDMWKOJJCXBPW-TZMCWYRMSA-N 317.393 -0.852 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)c2cn(C)cn2)C1 1207808241 WPBQRAOVTHZLSG-LBPRGKRZSA-N 303.366 -0.636 30 20 DBED C=C(C)CN(CC)C(=O)CN[C@@H]1CCCN(C(=O)C(N)=O)C1 1209387587 QVUQZZKWZGDMOK-GFCCVEGCSA-N 310.398 -0.523 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1CN(CCO)C[C@H]1OC 1213537281 GOMXDIGGWNMDLK-BFHYXJOUSA-N 313.398 -0.735 30 20 DBED C#CCN1C[C@@H](NC(=O)CNC(=O)c2cscn2)[C@H](OC)C1 1213681629 PDYXFDFHXZCLQC-ZYHUDNBSSA-N 322.390 -0.679 30 20 DBED C=CCn1cc(C(=O)N2C[C@@H](NCC(=O)NC)[C@H](C)C2)nn1 1215829037 FMJNVZYPDDUGPK-GHMZBOCLSA-N 306.370 -0.740 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCO[C@@H]2CN(CC(=O)NCC)C[C@@H]21 1217869131 REEOXRRXIUHLNE-MELADBBJSA-N 323.393 -0.928 30 20 DBED COCCCOCCC(=O)N1CCO[C@@H]2CN(CC#N)C[C@@H]21 1218931446 QORWXEZSKHVUFR-UONOGXRCSA-N 311.382 -0.135 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(Cc2nc(C3CC3)no2)C[C@@H]1O 1219362124 PYVATVVQFVZHQJ-NEPJUHHUSA-N 322.365 -0.189 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CN(C[C@H](O)CC(F)(F)F)C[C@@H]1O 1219591749 SIVWWDPIMYFAKQ-UTUOFQBUSA-N 320.311 -0.126 30 20 DBED C=C[C@H](C(=O)N[C@@H]1CN(CC(=O)NC)C[C@@H]1O)c1ccccc1 1221048310 MPRRUVGSUYUDLQ-ZNMIVQPWSA-N 317.389 -0.137 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CCN(C(=O)c3cocn3)C[C@@H]21 1222428725 RWZKYWXVCXQXSR-OCCSQVGLSA-N 316.361 -0.040 30 20 DBED N#CCNC(=O)CN1CCC(CNC(=O)[C@H]2CCCOC2)CC1 1222579295 QUVHEVLIMPMVFQ-AWEZNQCLSA-N 322.409 -0.119 30 20 DBED C=C(C)CN1CCC(CNC(=O)C[C@@H]2NC(=O)NC2=O)CC1 1223495168 LWNATTTUQRKSSF-LBPRGKRZSA-N 308.382 -0.011 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@]12COC[C@@H]1C2 1226341783 OPQMRRNVSBRYBI-VLXAULBPSA-N 320.393 -0.320 30 20 DBED N#CCNC(=O)CN1CCC(NC(=O)Cc2cc[nH]n2)CC1 1226708839 RRBAHZWSPQOYBD-UHFFFAOYSA-N 304.354 -0.827 30 20 DBED COc1cc(C(=O)NC2CCN(CC(=O)NCC#N)CC2)on1 1226926791 OJYSWZRCZFIABK-UHFFFAOYSA-N 321.337 -0.483 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cccnn1 1229269262 HTJHREJQHYPVOB-CHWSQXEVSA-N 315.377 -0.143 30 20 DBED COCC#CCN1CCC(NC(=O)COCCN(C)C)CC1 1230048721 QCSSJUODADKFGJ-UHFFFAOYSA-N 311.426 -0.205 30 20 DBED C=C(C)CN(CC)C(=O)CN1CC[C@H]1CN(C)C(=O)CC(N)=O 1231398583 KGKAPTBNOMQXHW-ZDUSSCGKSA-N 324.425 -0.181 30 20 DBED C#CCSCC(=O)OCC(=O)N[C@H]1CCS(=O)(=O)C1 1262076874 JWDGSIZRBVJYAF-VIFPVBQESA-N 305.377 -0.801 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)NCc1ccc(C(N)=O)nc1 1323527257 DDDTUKWMLXEMHE-JTQLQIEISA-N 306.322 -0.886 30 20 DBED CCO[C@@H]1COCC[C@H]1NC(=O)C(=O)N1CC[C@](F)(C#N)C1 1323723611 JSJCKAVRKHBTOB-GYSYKLTISA-N 313.329 -0.239 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)NCc1nnnn1CC1CC1 1323779526 ZPAXCEYDUQGACE-UHFFFAOYSA-N 314.349 -0.816 30 20 DBED C=CCN(C(=O)C(=O)NC[C@H]1CC[C@@H](C(=O)N(C)C)O1)C1CC1 1324403981 NJPQQUSICISNBY-OLZOCXBDSA-N 323.393 -0.085 30 20 DBED CC#CCN(C)C(=O)C(=O)N1CCN(CC(C)(C)O)[C@@H](C)C1 1325031973 OSDTWOKDWRBDMA-ZDUSSCGKSA-N 309.410 -0.228 30 20 DBED C[C@H](O)C[C@@H]1COCCN1C(=O)C(=O)N1CC[C@](F)(C#N)C1 1325161935 IDCGNQWQDMEZHX-WDMOLILDSA-N 313.329 -0.551 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N(CC)CC(C)(C)O)nn1 1326718381 JCZMOHVHHKAIEM-UHFFFAOYSA-N 309.370 -0.300 30 20 DBED Cc1cc(NC(=O)C(=O)NCC(=O)NC(C)C)ncc1C#N 1327619069 KKUWEYSGMBAZKL-UHFFFAOYSA-N 303.322 -0.159 30 20 DBED Cn1ccnc1[C@H](NC(=O)NCC(=O)NCC#N)C(C)(C)CO 1327744350 YAMCLCVOVDOCEA-NSHDSACASA-N 322.369 -0.581 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)NCCCN2C(=O)CCC2=O)C1 1328130495 DQLYZHQBRWXPRC-CQSZACIVSA-N 308.338 -0.414 30 20 DBED C=C(C)CN(C)c1nnnn1C1CC(NS(C)(=O)=O)C1 1334392024 CGTZCQCCSDLEEZ-UHFFFAOYSA-N 300.388 -0.062 30 20 DBED CC#CCn1nnnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1337439476 AKUDKDWKTHQJSA-GFCCVEGCSA-N 324.410 -0.299 30 20 DBED CC#CCNC(=O)C(=O)Nc1cnn(CC(=O)NC2CC2)c1 1343341685 WMMCUOCHNCWAPT-UHFFFAOYSA-N 303.322 -0.760 30 20 DBED C=CCn1c(-c2cnccn2)nnc1S(=O)(=O)CC(=O)NC 1344042066 AWJVIKBYJDLRHF-UHFFFAOYSA-N 322.350 -0.559 30 20 DBED C[C@H](OC(=O)CCCC#N)C(=O)N[C@@H]1CCS(=O)(=O)C1 1347436063 ZCURZVVHDHTUMW-VHSXEESVSA-N 302.352 -0.085 30 20 DBED C#CCOCCN(C)C(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 1348884294 MFUYRGFQSNBJQR-DDHJSBNISA-N 316.357 -0.098 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CCN([C@H]2CCOC2)CC1 1350816960 GPPNMQSDTXMNMX-OLZOCXBDSA-N 311.382 -0.763 30 20 DBED N#Cc1cn(CCC(=O)N2CCC[C@@H](CCO)C2)c(=O)nc1O 1362326899 LFJHMWFKKJUYBR-NSHDSACASA-N 320.349 -0.168 30 20 DBED CC(=O)CN(CC(C)C)C(=O)Cn1cc(C#N)c(O)nc1=O 1362580192 ZOTLINILLASUTG-UHFFFAOYSA-N 306.322 -0.106 30 20 DBED Cn1cc(Cl)c(CNC(=O)Cn2cc(C#N)c(O)nc2=O)n1 1362697660 SFKMHEIGVNVOLF-UHFFFAOYSA-N 322.712 -0.476 30 20 DBED N#Cc1cn(CC(=O)NCC[C@@H]2CCCC[C@@H]2O)c(=O)nc1O 1364361901 LKWGGCFOOMSTPI-JQWIXIFHSA-N 320.349 -0.122 30 20 DBED CC(=O)NCC(=O)N1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)[C@H]1C 1370833749 YJAFOWRCUQBVJX-SKDRFNHKSA-N 317.349 -0.258 30 20 DBED COc1cc(C(=O)N(C)C[C@H](O)CNC(=O)[C@H](C)C#N)ccn1 1384239678 XQJYSZJPNNGIRQ-ZYHUDNBSSA-N 320.349 -0.201 30 20 DBED C[C@@H](C#N)C(=O)N1[C@H]2CC[C@H]1CC(NC(=O)CCNC(N)=O)C2 1407862694 VFALSORHOQISJY-DLOVCJGASA-N 321.381 -0.157 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1cncnc1C1CC1 1410142427 HFVYWXARIQOPCO-KOLCDFICSA-N 317.349 -0.279 30 20 DBED CCC(=O)NCC(=O)N1[C@H]2CC[C@H]1CN(C(=O)[C@@H](C)C#N)C2 1414917862 LSICCQIVLLNWNW-SRVKXCTJSA-N 306.366 -0.126 30 20 DBED CC[C@H](CNC(=O)COCc1nncn1C)NC(=O)[C@H](C)C#N 1416294249 MSWVAXSLZOZBGP-GHMZBOCLSA-N 322.369 -0.498 30 20 DBED C=C(Cl)CN1CCOC[C@H]1CNC(=O)CCNC(=O)NC 1447149452 CYBQNOPAJBFKFZ-LLVKDONJSA-N 318.805 -0.125 30 20 DBED C=C(Cl)CNC[C@@H]1CN(C(=O)CCNC(N)=O)CCO1 1447305491 LGBVUVDCLBCVIE-SNVBAGLBSA-N 304.778 -0.386 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)c2ccoc2CC(N)=O)CC1 1453536677 HWESPBIGBBTINN-SECBINFHSA-N 318.333 -0.154 30 20 DBED C[C@H](CCNC(=O)CNC(=O)N1CCCC1)NC(=O)[C@H](C)C#N 1455029984 IPIKYKOHZAHCFI-VXGBXAGGSA-N 323.397 -0.038 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)COCC1CCCC1 1458022727 ZGEXLVAPGLEQGE-DGCLKSJQSA-N 311.382 -0.054 30 20 DBED COc1cccc(C(=O)N(C)C[C@H](O)CNC(=O)[C@@H](C)C#N)n1 1488401859 OBHZXMFLRTWWLS-WDEREUQCSA-N 320.349 -0.201 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1ccc2cc[nH]c2n1 1501554158 KMMMWYCJGCMBMU-MWLCHTKSSA-N 315.333 -0.071 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)CCc1ccccn1 1533289514 LCVBHHXUELCGQL-AAEUAGOBSA-N 304.350 -0.233 30 20 DBED C#CC[C@]1(C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2OC)CCCN1 1574516044 CVXFRFJQZUTPEB-NTZNESFSSA-N 300.380 -0.940 30 20 DBED N#Cc1nc(NC[C@H]2CCN(C(N)=O)C2)cnc1-c1nn[nH]n1 1581880856 XLFPOHCNVRAVKT-SSDOTTSWSA-N 314.313 -0.659 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@@]2(CC(C(=O)O)=NO2)C1 1588476768 GLHJHWLUFPWWEZ-SWLSCSKDSA-N 305.334 -0.084 30 20 DBED C=CCC[C@H](CO)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cn1 1588578615 CCLJUMDNBDCMCZ-SNVBAGLBSA-N 324.366 -0.133 30 20 DBED CON(C(=O)CCN/C(O)=C1/N=CC=CC1=O)[C@H](C)C(=O)O 1594037104 UBGPHAUKCOARSE-RWKJSZNZSA-N 311.294 -0.234 30 20 DBED CN(C(=O)[C@@H]1C[C@@H]1C(=O)O)C1CCN(CC(=O)NCC#N)CC1 1597998261 JSXWKISYLILSCG-NEPJUHHUSA-N 322.365 -0.730 30 20 DBED N#Cc1ccc(CNC(=O)COC(=O)C2(CO)COC2)cc1 1647176505 YDSBMUMKKXVFMQ-UHFFFAOYSA-N 304.302 -0.273 30 20 DBED CS(=O)(=O)c1nnc(CN2CCN(CCC#N)CC2)s1 1647363457 OQCPTHWSSLQEHR-UHFFFAOYSA-N 315.424 -0.027 30 20 DBED N#CCNC(=O)CN1CCC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 1692084461 MYTOLLFCAUHYDC-GFCCVEGCSA-N 314.349 -0.280 30 20 DBED C#CCNC(=O)CN(C)CCCNC(=O)c1ccc(OC)nn1 1752091195 VDHXLMFAKSSIHC-UHFFFAOYSA-N 319.365 -0.714 30 20 DBED COC1CC(C(=O)N[C@H]2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]32)C1 1752844834 UOLYNITYZDBXMB-SGQZKWBFSA-N 306.366 -0.902 30 20 DBED C=CCN1CC[C@H](N[C@@H](C)CNC(=O)Cc2ccn(C)n2)C1=O 1752872129 APZSBQFCJTYCCR-JSGCOSHPSA-N 319.409 -0.156 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCNCCN1CCCS1(=O)=O 1753176799 BVPKJOQGZGJWFQ-NSHDSACASA-N 302.400 -0.770 30 20 DBED C=CCNC(=O)CN(C)C[C@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 1753355932 MLRBKYFNINPGRR-UPJWGTAASA-N 322.409 -0.810 30 20 DBED C#CCCNC[C@H](C)N(C)C(=O)[C@@H](CCC)S(N)(=O)=O 1753704938 NRLBJQDYXPZJCP-NWDGAFQWSA-N 303.428 -0.097 30 20 DBED C=CCN1CC[C@@H](NC[C@H](CC(C)C)NC(=O)C(N)=O)C1=O 1753738043 BNZMTSRWXKQOCF-NWDGAFQWSA-N 310.398 -0.621 30 20 DBED C#CCNC(=O)CNC[C@@H](C)NC(=O)c1ccc2nncn2c1 1754245421 ZYCJDRRMZZSSKJ-LLVKDONJSA-N 314.349 -0.813 30 20 DBED CN(C(=O)CCc1cncs1)C1CN(CC(=O)NCC#N)C1 1754581397 FQOKLOBUUDKLLM-UHFFFAOYSA-N 321.406 -0.142 30 20 DBED C#CCCNCC1(NC(=O)C[C@@H]2CC(=O)NC2=O)CCOCC1 1755099990 AXNDLVAFTCMERR-LBPRGKRZSA-N 321.377 -0.683 30 20 DBED C#CCNCC1(O)CCN(C(=O)c2nnn(C(C)(C)C)n2)CC1 1755154266 IVBQYUZYQINFIH-UHFFFAOYSA-N 320.397 -0.382 30 20 DBED C=CCNC(=O)CN[C@H](C)[C@H](C)NC(=O)C1(C(=O)NC)CC1 1755255001 BTVXVZAFRSJRSW-MNOVXSKESA-N 310.398 -0.702 30 20 DBED C[C@H](CN(C)C(=O)CC[C@@H]1CCCN1C)NCC(=O)NCC#N 1755591202 HZTJLNLNTARDRV-KGLIPLIRSA-N 323.441 -0.063 30 20 DBED CC#CCN[C@@H](CO)CNC(=O)[C@H]1CCc2nnc(C)n2C1 1755646713 BVMPXGHRYXDHRU-QWHCGFSZSA-N 305.382 -0.761 30 20 DBED CCCN(C)CC(=O)N[C@H]1CCCN(CC(=O)NCC#N)[C@@H]1C 1755720880 KCFFUOFFGMMJOR-KGLIPLIRSA-N 323.441 -0.063 30 20 DBED C=CCOCC(=O)NCC1CC(NC(=O)c2c[nH]c(=O)cn2)C1 1755943070 VIALCXBFORUDKJ-UHFFFAOYSA-N 320.349 -0.403 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H](C1CC1)N(C)C(=O)c1cnn[nH]1 1756415074 BYEVKERLTPUYKL-MFKMUULPSA-N 319.365 -0.190 30 20 DBED CC(=O)N(C)CC(=O)NC[C@@H](CO)NC(=O)C#CC(C)(C)C 1756503971 SPTPCBANFQNPON-LBPRGKRZSA-N 311.382 -0.893 30 20 DBED C=C[C@@](C)(O)CC(=O)N(C)C[C@@H](O)CNC(=O)Cc1ccc[nH]1 1756660641 KHVIBGKMVFQWEK-XJKSGUPXSA-N 323.393 -0.180 30 20 DBED C[C@H](CN1CCN(C)CC1)NC(=O)NCCn1cnc(C#N)n1 1771699034 CMEQOYVXFJQKKU-GFCCVEGCSA-N 320.401 -0.915 30 20 DBED Cn1ncc2c(=O)n(CC(=O)N[C@@](C)(C#N)C3CC3)cnc21 17180360 HMNZSZGKALJXIQ-AWEZNQCLSA-N 300.322 -0.062 30 20 DBED CNC(=O)CN(C)C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 44984675 DKUOGDFLJQBFNR-UHFFFAOYSA-N 323.374 -0.323 30 20 DBED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2C[C@@H](O)C[C@H]2CO)CC1 186480000 SIUZCACCXNBFQB-SOUVJXGZSA-N 324.425 -0.894 30 20 DBED C=CC/N=C(/NCC(=O)N(C)C)N1CCN2C(=O)CC[C@H]2C1 262248152 BHCUJEXBSMDTOH-LBPRGKRZSA-N 307.398 -0.487 30 20 DBED COC(=O)[C@@H](C)C/N=C(\N)N1CCN(c2ncccn2)CC1 264153779 ADRHSOSZNYUTJA-NSHDSACASA-N 306.370 -0.278 30 20 DBED Cc1cccc(S(=O)(=O)N2CCO[C@H](C(N)=O)C2)c1C#N 269736927 LPICRGQXQQYPQM-NSHDSACASA-N 309.347 -0.259 30 20 DBED N#Cc1cccc(CS(=O)(=O)NC[C@@H]2CC(C(N)=O)=NO2)c1 275935153 WTNZJJOAGVEVDS-NSHDSACASA-N 322.346 -0.392 30 20 DBED Cc1ccn(C[C@](C)(O)C(=O)N2CCO[C@@H](C#N)C2)c(=O)c1 280769052 YXDMZEYYYRLVOI-WFASDCNBSA-N 305.334 -0.341 30 20 DBED C=CCS(=O)(=O)CCNS(=O)(=O)N(C)[C@H](C)CC#N 282274571 IQFBMQXBGYRMOK-SNVBAGLBSA-N 309.413 -0.344 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H](CC)COC)C1=O 284188810 QWYBHMLMXRPIAT-NEPJUHHUSA-N 311.382 -0.227 30 20 DBED C=CCN(CCC#N)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O 292543901 HABRCXSNYMNVQQ-UHFFFAOYSA-N 312.351 -0.826 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CCO[C@H](CC)C2)C1=O 298009946 ZCXTXCPEJQSFAY-OLZOCXBDSA-N 323.393 -0.131 30 20 DBED CCN1CCN(/C(O)=N/C[C@@H]2CCCS(=O)(=O)C2)CC1=O 329479791 PBUBZHBVTRKKQE-NSHDSACASA-N 317.411 -0.111 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)NCc1nc(N(C)C)no1 337797134 FYJJOPHORVXWMQ-MRVPVSSYSA-N 302.360 -0.296 30 20 DBED CN(C)CCN(C)CCCNS(=O)(=O)N(C)CCC#N 341630817 VMQROVWJYVBCRR-UHFFFAOYSA-N 305.448 -0.450 30 20 DBED CC[C@H](C)NC(=O)CCNC(=O)NCCn1cnc(C#N)n1 344420185 FRULCHVPZJRCEJ-JTQLQIEISA-N 307.358 -0.246 30 20 DBED COC(=O)[C@@H]1CNC(=O)CN1C(=O)COc1ccc(C#N)cc1 344815455 BGZTZMKQPUJGFG-LBPRGKRZSA-N 317.301 -0.563 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@@H](C)C[S@@](C)=O 345404803 ACUYKMADZOGBJC-AFYCFSBHSA-N 316.423 -0.033 30 20 DBED COC(=O)c1cnc(NS(=O)(=O)c2cncc(C#N)c2)cn1 357399987 LJTPHMWMLJNXJY-UHFFFAOYSA-N 319.302 0.331 30 20 DBED COC(=O)[C@H](O)CNS(=O)(=O)c1ccc(C#N)cc1OC 361971689 DMIJUXQIENGIBH-SECBINFHSA-N 314.319 -0.621 30 20 DBED C=C[C@H](C)NC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 362598885 GWTISCYVZOBPGJ-HBNTYKKESA-N 300.380 -0.287 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@H](CO)[C@@H]2C)C1=O 427845277 XEDJNSHBGPRNDN-UWVGGRQHSA-N 309.322 -0.808 30 20 DBED CCOCCN1CCN(C(=O)C(=O)N(C)C[C@H](C)C#N)CC1 459923827 RZCSQWTUGDRVSM-CYBMUJFWSA-N 310.398 -0.215 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)/C=C\c2cccnc2)CC1 491790081 XGBICMJWWFHZET-WAYWQWQTSA-N 312.373 -0.012 30 20 DBED N#CC1(CS(=O)(=O)NCCS(=O)(=O)NC2CC2)CC1 545913018 UMUDIGOTNPLQRS-UHFFFAOYSA-N 307.397 -0.709 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)NCCN1CCC(O)CC1 579860687 PGCNBJLXIRKZRT-LLVKDONJSA-N 304.416 -0.489 30 20 DBED COc1cncc(NC(=O)C(=O)N2CCC[C@@](C)(C#N)C2)n1 593587861 HZWLKTBZGLTJGA-AWEZNQCLSA-N 303.322 0.576 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N[C@H](CO)[C@@H]1CCCOC1 594783401 GJCTZUQXYDJMPW-IJLUTSLNSA-N 305.400 -0.300 30 20 DBED CCc1nc(C#N)cc(N2CCC[C@H](CNS(N)(=O)=O)C2)n1 596103730 FQQZEVKVSDDIBP-SNVBAGLBSA-N 324.410 -0.080 30 20 DBED CC#CC[C@H](CO)NC(=O)C(=O)N=c1ccn(CC(F)F)[nH]1 646952872 MQGMQGYHLDRVFN-SECBINFHSA-N 314.292 -0.601 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)c1ccc2nncn2c1 749407539 CYICXKWLGMGHHS-UHFFFAOYSA-N 303.278 -0.102 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)OCCN2CCCCC2)C1=O 770362612 YNJZDIDSIKBTPC-UHFFFAOYSA-N 323.349 -0.008 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)OCc2n[nH]c(C)n2)C1=O 795370091 KMLOWALVVMQAMH-UHFFFAOYSA-N 307.266 -0.867 30 20 DBED C=CCNC(=O)COC(=O)[C@@](C)(O)Cn1c(C)cccc1=O 795773150 VZXGCBMARJFQBK-HNNXBMFYSA-N 308.334 -0.247 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)NC[C@H]2CSCCS2)CCO1 800074244 GUZMQAGCIGLLBC-ZJUUUORDSA-N 323.465 -0.106 30 20 DBED C#CCNC(=O)CN1CCC[C@H](CNS(=O)(=O)C2CC2)C1 808765669 GGRAEWUGSQDVER-GFCCVEGCSA-N 313.423 -0.470 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N[C@@H]1CCC(=O)N(C)C1=O 823457238 WHACDXGYPJKUIP-SECBINFHSA-N 317.367 -0.966 30 20 DBED CC#CC[C@@H](CO)NS(=O)(=O)c1cc(C(=O)OC)n(C)c1 828395763 QAQSEAZMWJUSDO-JTQLQIEISA-N 314.363 -0.136 30 20 DBED CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CNC[C@H]2C#N)cc1 834516741 LOAWIGJGQGMGAP-DGCLKSJQSA-N 322.390 -0.174 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCNC[C@H]1CCC)[C@@H]1CCCO1 842164868 XXSDCACLISJAFI-RDBSUJKOSA-N 307.394 -0.116 30 20 DBED N#C[C@H]1CN(C(=O)NCCN2CCCC2=O)CCN1C1CC1 845478833 FDICZJYKLLTVFY-ZDUSSCGKSA-N 305.382 -0.009 30 20 DBED CC(=O)NCC(=O)NCC(=O)OCCc1ccc(C#N)cc1 849703230 RGIRYYXSINHWDL-UHFFFAOYSA-N 303.318 -0.104 30 20 DBED C#CC[C@H](CO)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)CC(C)C 854542366 PZBYMSAGTAXPHC-TZMCWYRMSA-N 320.393 -0.017 30 20 DBED CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N1C[C@H]2C(=O)N(C)C(=O)[C@H]2C1 879532683 VNWYQIZTGQWGPK-PVTKRXDGSA-N 320.393 -0.024 30 20 DBED C=C(C)C[C@@H](CO)NS(=O)(=O)N(CCOC)CCOC 882850036 ZQYIVITUXLKSIM-LBPRGKRZSA-N 310.416 -0.257 30 20 DBED CCN1CCN(CC(=O)N[C@H](C#N)C2CCCC2)C(=O)C1=O 921539748 IDOKBAMRLRIEIP-GFCCVEGCSA-N 306.366 -0.124 30 20 DBED CN1CCO[C@H](C(=O)N(C)[C@@H]2CCN(C(=O)C#CC3CC3)C2)C1 937346617 AFJQXUKFTGTHOY-CABCVRRESA-N 319.405 -0.210 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)c3cnnn3C)C2)nc1 938372372 IYZFPUHYEPYWPA-LBPRGKRZSA-N 324.344 -0.164 30 20 DBED Cc1c[nH]c(CC(N)=O)c1C(=O)N1C[C@@H](NCC#N)[C@H](C)C1 939172028 HFDBWRYXGZVQJV-ZYHUDNBSSA-N 303.366 -0.075 30 20 DBED CC(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@H](C)C#N)C1 941890515 AIEQEPMFOOJNHF-RTXFEEFZSA-N 306.366 -0.126 30 20 DBED C[C@@H](NC(=O)c1c[nH]c(C#N)c1)[C@H]1CCCN(C(=O)C(N)=O)C1 945671928 WVPAXXWNGQVAQG-ZJUUUORDSA-N 317.349 -0.271 30 20 DBED C[C@H](C#N)C(=O)N1CCC(NC(=O)c2nccnc2N)CC1 948096158 GKDPTTOHXPRRTA-SECBINFHSA-N 302.338 -0.061 30 20 DBED C#CCCN1CCOC2(CCN(C(=O)[C@H]3CCC(=O)N3)CC2)C1 949323153 XCPLDEJXBKRILL-CQSZACIVSA-N 319.405 -0.018 30 20 DBED N#Cc1ccc(C(=O)NC[C@@H]2CCN2C(=O)Cc2nc[nH]n2)[nH]1 949448469 DEAGNIKFISVWJC-JTQLQIEISA-N 313.321 -0.422 30 20 DBED CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(C(=O)c2c[nH]c(C#N)c2)C1 954240892 YPVCEPRFCGGOFO-VXGBXAGGSA-N 317.305 -0.166 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2CCCN2C(=O)C(N)=O)cn1 956189198 WTJZKKLLWTTZBA-LBPRGKRZSA-N 300.318 -0.731 30 20 DBED CN1C[C@@H](C(=O)N[C@]2(C)CCN(C(=O)C#CC3CC3)C2)NC1=O 957272490 LUESZAIEAIRRBN-BLLLJJGKSA-N 318.377 -0.469 30 20 DBED C#CCCN1C[C@@H](O)[C@H](CNC(=O)c2cn3c(n2)CCC3)C1 958082588 YYZTYEYFJIZMIQ-TZMCWYRMSA-N 302.378 -0.125 30 20 DBED C=C(C)CN1C[C@H](CNC(=O)c2ccnc3[nH]nnc23)[C@@H](O)C1 958249614 VXNAXIMIBNNADO-JQWIXIFHSA-N 316.365 -0.049 30 20 DBED CC#CCN1C[C@H](O)[C@H](CNC(=O)c2ccc3nnnn3c2)C1 958254228 NJDICMMEADAQQF-OLZOCXBDSA-N 314.349 -0.830 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](CNC(=O)c2cccnc2C(N)=O)C1 958718198 SWLUWBBVTVAGMR-DGCLKSJQSA-N 318.377 -0.221 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2CN(C(=O)C(N)=O)C[C@H]2C)cc1 959570937 NDKOCMGJHRLUSH-BXUZGUMPSA-N 313.357 -0.023 30 20 DBED C#CCN1C[C@H]2[C@H](NC(=O)c3cnn(CCN(C)C)c3)[C@H]2C1 962016786 LHJJUPAOJRBTLG-FICVDOATSA-N 301.394 -0.262 30 20 DBED C=C[C@@](C)(CC)C(=O)N1CCOC2(CN(C(=O)CC(N)=O)C2)C1 965477770 DKDZXZKLNYBVLF-HNNXBMFYSA-N 323.393 -0.096 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1COCCN1C 968868341 YLTLHQIZAVZSPO-YIYPIFLZSA-N 320.393 -0.322 30 20 DBED CC#CCN1CC([C@H](C)NC(=O)[C@H]2CCN(C)S2(=O)=O)C1 970568703 FJBYNENXFFGENB-WCQYABFASA-N 313.423 -0.520 30 20 DBED CC#CCN1CCO[C@]2(CCN(C(=O)CCn3cncn3)C2)C1 972262834 ZPLZENOKJROPHQ-MRXNPFEDSA-N 317.393 -0.005 30 20 DBED CC#CCN1CCO[C@]2(CCN(C(=O)CN3CCOCC3)C2)C1 972345533 GLERWEQFSFQLCB-QGZVFWFLSA-N 321.421 -0.355 30 20 DBED C=CCN1CCO[C@]2(CCN(C(=O)Cn3cnnc3O)C2)C1 972348629 PMIUQAMJDUPBPA-CQSZACIVSA-N 307.354 -0.527 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H](N(C)[C@H](C)C(N)=O)C2)nn1 972501662 QCCIHFBJMHBXJJ-MNOVXSKESA-N 306.370 -0.516 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c1 973994701 LFEVPFYYRDXYHD-DTHBNOIPSA-N 317.305 -0.071 30 20 DBED CN1CC[C@@H](C(=O)N[C@@H]2CN(CC#N)CC2(C)C)S1(=O)=O 977321831 ZUYPGJPADXNPDR-WDEREUQCSA-N 314.411 -0.630 30 20 DBED C#CCN[C@@H]1CCC[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)C1 981458493 YXFGKDMMXUMOCW-MNOVXSKESA-N 314.349 -0.319 30 20 DBED CC1CCN(C(=O)C(=O)NC2CN(C(=O)[C@@H](C)C#N)C2)CC1 991635376 OPCQRAAMQMDDQS-NSHDSACASA-N 306.366 -0.268 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CCN(C)C2)C1 991719508 HOSQOZNDOXPEEF-BNOWGMLFSA-N 307.394 -0.144 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)c2ccc(C(N)=O)cn2)C1 994900836 ALCGKAVBSOIOQW-QMMMGPOBSA-N 301.306 -0.719 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)CCn3cncn3)C2)cn1 997090656 QENTXYJQEONAMB-UHFFFAOYSA-N 324.344 -0.315 30 20 DBED C[C@@H](C#N)C(=O)N1CC(CNC(=O)[C@@H]2CCc3nncn3C2)C1 1002469424 INXUCJAKZVREFZ-CMPLNLGQSA-N 316.365 -0.425 30 20 DBED Cc1c(C(=O)NC[C@H]2[C@@H]3CN(C(=O)[C@H](C)C#N)C[C@H]23)nnn1C 1008920879 ZDDJJTFLWDTGTN-HKWIRBFKSA-N 316.365 -0.283 30 20 DBED C=CCN1CC[C@@H](N2CC[C@H](NC(=O)[C@@H]3[C@H]4COC[C@H]43)C2)C1=O 1015568282 NZKNLXKDPJLKFX-VQJWOFKYSA-N 319.405 -0.144 30 20 DBED N#Cc1ccc(CN[C@H]2CCN(C(=O)Cn3ncnn3)C2)s1 1018850162 PJQIQGDGBMXAKF-JTQLQIEISA-N 317.378 -0.003 30 20 DBED C#CCN(C)[C@@H]1CCCN(C(=O)CN2CC(=O)N(C)C2=O)C1 1027647425 HKLYDJIXGQFDOT-GFCCVEGCSA-N 306.366 -0.564 30 20 DBED C=C(C)CCN1CC[C@H](CNC(=O)c2cn(CC(N)=O)nn2)C1 1029003447 IHYWGMQVXRXWFJ-GFCCVEGCSA-N 320.397 -0.219 30 20 DBED CN(C(=O)CN1CC(NC(=O)c2ccc(C#N)[nH]2)C1)C1CC1 1030223500 YHGFPFOBAHQOEH-UHFFFAOYSA-N 301.350 -0.079 30 20 DBED C#CCN1CCC(C(=O)NCC2CN([C@@H](CC)C(N)=O)C2)CC1 1032207376 OTZIRXIFRHSSPA-HNNXBMFYSA-N 320.437 -0.357 30 20 DBED CC(=O)N1CCOC[C@H]1C(=O)N[C@H]1CCCCN(CC#N)C1 1034533197 SOFCHKWASLYKJD-KBPBESRZSA-N 308.382 -0.272 30 20 DBED C#CCCN1CCO[C@H](CNC(=O)[C@@H]2CCS(=O)(=O)C2)C1 1035438335 LILPPIOVLVJNPQ-CHWSQXEVSA-N 314.407 -0.739 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)c2c(C)nn(C)c2OC)C1 1035527697 VRILBPPUROCEQK-LBPRGKRZSA-N 306.366 -0.199 30 20 DBED N#CCN1CCO[C@H](CNC(=O)C2CCN(C(N)=O)CC2)C1 1035603537 VXWQSVBKEKMZHG-GFCCVEGCSA-N 309.370 -0.882 30 20 DBED CC#CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)Cn1nc(C)ccc1=O 1037678094 BSUAQXGGNKUYRX-WWGRRREGSA-N 300.362 -0.236 30 20 DBED CCOCCC(=O)N1CC[C@](O)(CNC(=O)C#CC2CC2)C1 1039677926 OIWUGGNFRZRUPN-INIZCTEOSA-N 308.378 -0.094 30 20 DBED N#Cc1ccc(N2CCO[C@@H]3CCN(C(=O)C(N)=O)C[C@@H]32)nc1 1040001870 WKAQXWQJMSGZHG-NWDGAFQWSA-N 315.333 -0.755 30 20 DBED Cc1nonc1C(=O)NC[C@@]1(O)CCN(C(=O)[C@@H](C)C#N)C1 1040221272 RUUGIKDNIPAYHA-SDBXPKJASA-N 307.310 -0.769 30 20 DBED C=CCOCC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2CCOC2)C1 1040790614 LUCOJHSCSVMCIR-IUODEOHRSA-N 312.366 -0.695 30 20 DBED C#Cc1cncc(C(=O)NC[C@@]2(O)CCN(C(=O)COC)C2)c1 1040861460 QKLMHMVGLDZCBG-INIZCTEOSA-N 317.345 -0.598 30 20 DBED N#CCSCC(=O)NCC1(O)CN(C(=O)c2ncccn2)C1 1041569249 RTCYSLDSJVOYKU-UHFFFAOYSA-N 321.362 -0.964 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)Cc2cnoc2)C1 1042043183 JBCOKWPEDUINES-UHFFFAOYSA-N 309.322 -0.891 30 20 DBED C[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1NC(=O)c1nnn(C)n1 1042422645 INAQHQBEFOHXFV-RKDXNWHRSA-N 313.325 -0.874 30 20 DBED C=C(C)CCC(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1043309962 ASRFBVSOQYJJAI-GHMZBOCLSA-N 311.338 -0.303 30 20 DBED C=CCCOCC(=O)NCC1(O)CN(C(=O)Cc2ccon2)C1 1043565824 QOYYLVDDZLNPDP-UHFFFAOYSA-N 323.349 -0.501 30 20 DBED C=CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)Cc2cc[nH]n2)C1 1043570465 IZIMTUCHKJOIGQ-LLVKDONJSA-N 322.365 -0.767 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)C2(COC)CC2)C1 1043865438 HTZVIDWYHJFWCL-UHFFFAOYSA-N 312.366 -0.695 30 20 DBED Cn1ncc(C(=O)NC[C@@H]2CC3(CCN(CC#N)CC3)CO2)n1 1045681278 FWGNOMMUXWFGSF-LBPRGKRZSA-N 318.381 -0.060 30 20 DBED CNC(=O)[C@@H](C)N1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C#N)[nH]2)C1 1047353817 MQXGGJIMZFCXKD-ICCXJUOJSA-N 319.365 -0.862 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3nnn(C)c3C2)C1 1047503780 MWLYDTRGTYRBQL-UGFHNGPFSA-N 319.409 -0.391 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)C(=O)N2CCC[C@@H]2CC)C1 1047587867 BQKZBPQTNLFVAY-KKUMJFAQSA-N 321.421 -0.086 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2ncc[nH]2)C1 1048794327 RRZMHMRDVHTZEO-QWRGUYRKSA-N 308.338 -0.744 30 20 DBED C=CCCOCC(=O)N(C)[C@H]1CN(C(=O)CSC)C[C@@H]1O 1049007528 LDHNJCJLMMLNHK-RYUDHWBXSA-N 316.423 -0.028 30 20 DBED C#CCN1C[C@H]2CN(C(=O)CCn3cnccc3=O)C[C@H]2C1 1049140402 LYRCENBRFNIUKZ-OKILXGFUSA-N 300.362 -0.343 30 20 DBED C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1ncn(C)c1=O 1049561624 OBJGYCPMGIFUOD-QWHCGFSZSA-N 303.366 -0.720 30 20 DBED N#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)CN1CCCNC1=O 1049568160 SMAZMQTVVLQPIK-CHWSQXEVSA-N 305.382 -0.009 30 20 DBED C#CCN1C[C@@H]2CCCN(C(=O)CN3CCOCC3=O)[C@@H]2C1 1050063815 WACFYVWQPHJORD-UONOGXRCSA-N 305.378 -0.599 30 20 DBED N#CCN1CCOC[C@@H]1CNC(=O)[C@H]1CN2CC3CC2(CO1)C3 1051037897 OWJRWZARLVDIDH-IOSBVQAASA-N 320.393 -0.810 30 20 DBED CN1C[C@@H](C(=O)N2CC[C@@H](N3CCN(CC#N)CC3)C2)CC1=O 1052036056 YICHQQVDKRBQQE-UONOGXRCSA-N 319.409 -0.793 30 20 DBED C[C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1CNC(=O)C#CC1CC1 1052685089 YELIRANXTRIZKL-TZMCWYRMSA-N 315.377 -0.098 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)CO[C@@H]1CCOC1)CCO2 1053254794 SLHOTMMRWUQGIA-CQSZACIVSA-N 308.378 -0.272 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)[C@H]3CN(C)CCO3)CO2)C1 1053766778 VOYKDWWMVRVMSJ-ZIAGYGMSSA-N 307.394 -0.700 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)[C@H]3C[C@@H](C)CC(=O)N3)CO2)C1 1053805672 VQZQUHIMNSNKPO-HZSPNIEDSA-N 319.405 -0.116 30 20 DBED C[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1NCc1nnn(C)n1 1054574427 QWAKQQPXQWIFER-CABZTGNLSA-N 314.353 -0.340 30 20 DBED C=CCCCC(=O)NCCN1CCC(NC(=O)CC(N)=O)CC1 1055625599 GHOOGSCTFKKGLK-UHFFFAOYSA-N 324.425 -0.085 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@](CO)(NC(=O)c2ccon2)C1 1055801572 OVZDCMPJLONQLW-IINYFYTJSA-N 306.322 -0.082 30 20 DBED C[C@H](C#N)C(=O)N[C@]1(CO)CCCN(C(=O)CN2CCCC2)C1 1056096607 JKYULNCNZMNLAG-CZUORRHYSA-N 322.409 -0.288 30 20 DBED CN1CCC[C@H]1C(=O)N[C@H]1[C@@H]2CN(c3cnc(C#N)cn3)C[C@@H]21 1056148739 GRUNSOSSJPGEIL-SFDCQRBFSA-N 312.377 -0.007 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@](CO)(NC(=O)c2ccnnc2)C1 1056153774 PMTYKZFNYLWBAY-XHDPSFHLSA-N 317.349 -0.280 30 20 DBED C[C@H](C(=O)NC1[C@H]2CN(c3ccnc(C#N)n3)C[C@H]12)n1cncn1 1056169759 WDSFLQGUYWLCGF-VWYCJHECSA-N 324.348 -0.248 30 20 DBED Cn1ccc(CC(=O)NC2[C@@H]3CN(c4ccnc(C#N)n4)C[C@@H]23)n1 1056201161 AHGBJOZNRXFWDM-VXGBXAGGSA-N 323.360 -0.125 30 20 DBED C=C(C)[C@@H](CC(=O)NCCN(CCO)C(=O)COC)OCC 1056788902 NVLXEFSQWKRDQZ-CYBMUJFWSA-N 316.398 -0.059 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)Cc1cnn(C)c1 1057164906 UJLGETZMYJTUIR-UHFFFAOYSA-N 320.393 -0.441 30 20 DBED Cc1c(C(=O)N(CCO)CCNC(=O)C#CC(C)C)nnn1C 1057258842 UJHWESNWZJDBGP-UHFFFAOYSA-N 321.381 -0.666 30 20 DBED C#CCOCCC(=O)NCCN(CCO)C(=O)C#CC1CC1 1057536406 WNIZRGXDQWZAET-UHFFFAOYSA-N 306.362 -0.623 30 20 DBED N#Cc1cnc(N2CCC(NC(=O)[C@H]3CCNC3=O)CC2)cn1 1057925184 RVMWVXNDBYMSHM-LBPRGKRZSA-N 314.349 -0.431 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)[C@H](CC)N(C)C 1058168450 GDEHGMMFZZJTBL-ZDUSSCGKSA-N 315.414 -0.534 30 20 DBED N#Cc1nccc(N2CC[C@@H](NC(=O)C[C@@H]3CCNC3=O)C2)n1 1058465697 XIRFPXUMUPGKHM-WDEREUQCSA-N 314.349 -0.431 30 20 DBED CNC(=O)NCC(=O)N1CC[C@@H](CCNC(=O)C#CC(C)C)C1 1059782464 GUZFGMKQNRGMPT-CYBMUJFWSA-N 322.409 -0.070 30 20 DBED N#Cc1nccnc1NC[C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 1060972708 QQEHELNNHYAYIX-KOLCDFICSA-N 315.337 -0.710 30 20 DBED CCOCC(=O)N1CCOC[C@@H]1CNC(=O)CSCC#N 1061318208 QSYBWRCAPRHNIQ-NSHDSACASA-N 315.395 -0.377 30 20 DBED N#Cc1cncc(N2CC[C@H](CNC(=O)[C@H]3C[C@H]3C(N)=O)C2)n1 1061732362 LUGUKMUPUGYLAA-JLLWLGSASA-N 314.349 -0.588 30 20 DBED Cn1ncc(C(=O)N2C[C@@H]3C[C@H]2CN3c2nccnc2C#N)n1 1062508388 FIZFEZLUGJUFQL-UWVGGRQHSA-N 310.321 -0.420 30 20 DBED O=C(C#CC1CC1)NCC1(NC(=O)[C@@H]2CNC(=O)N2)CCC1 1062978942 FEKPNBGTKHSHFI-NSHDSACASA-N 304.350 -0.764 30 20 DBED N#Cc1nccnc1N1C[C@H]2C[C@H]1[C@@H]2NC(=O)[C@@H]1[C@H]2COC[C@H]21 1064322978 NJIVYHYVSGJPSZ-NURSSNHNSA-N 311.345 -0.066 30 20 DBED CCOCC(=O)NC[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)CCO1 1065054575 XMAMTHYDAPDTRU-LBPRGKRZSA-N 320.349 -0.120 30 20 DBED C=CCCCC(=O)N1CCO[C@H](CNC(=O)[C@H]2CCC(=O)N2)C1 1065544554 VQGKOIVCVZKLQD-CHWSQXEVSA-N 323.393 -0.035 30 20 DBED C[C@H](N=c1cc[nH]c(C#N)n1)[C@@H]1CCN(C(=O)CC(N)=O)C1 1065685217 WGFMEOCLJDAAIX-VHSXEESVSA-N 302.338 -0.706 30 20 DBED N#Cc1cnc(NC[C@H]2CN(C(=O)c3cnn[nH]3)CCO2)cn1 1066690037 CLANRLSOSPGIRL-JTQLQIEISA-N 314.309 -0.581 30 20 DBED Cn1nnc(C(=O)NCC2[C@@H]3CN(c4ccc(C#N)nc4)C[C@@H]23)n1 1068193249 XPTRJTHXKJUPMP-STQMWFEESA-N 324.348 -0.411 30 20 DBED C=CCN1CCn2ncc(CNC(=O)[C@H]3CCC(=O)N3)c2C1 1069855427 AJSBLYWZBMGHAY-GFCCVEGCSA-N 303.366 -0.221 30 20 DBED Cc1nc(C)c(C(=O)N2C[C@H](n3ccnn3)[C@H](NCC#N)C2)[nH]1 1070276466 IJYIRTVYVPNGRS-NEPJUHHUSA-N 314.353 -0.203 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@H]2CCNC2=O)C[C@H]1c1cncn1C 1070675828 XGDGRNKDLUQGGR-YNEHKIRRSA-N 315.377 -0.927 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)C4(C(N)=O)CC4)C[C@@]3(C1)O2 1070848629 TYLUZOKUKJRTKS-XHBSWPGZSA-N 303.362 -0.813 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)[C@H]2CCCN2C)CC1 1070945929 HBCPLMWOURTTLJ-CQSZACIVSA-N 306.410 -0.636 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)c2nccn2CC)CC1 1070958762 RTHPGAAPSNQPHW-UHFFFAOYSA-N 317.393 -0.200 30 20 DBED N#CCN1CCNC(=O)CCN(C(=O)CCc2cn[nH]c2)CC1 1071007818 XXTYYNLNIKERSM-UHFFFAOYSA-N 318.381 -0.484 30 20 DBED N#CCN[C@@H]1CCO[C@H]1C1CCN(C(=O)C2(C(N)=O)CC2)CC1 1071082583 ISCINOXGPWDZRW-OLZOCXBDSA-N 320.393 -0.239 30 20 DBED C=CCCCC(=O)N1CC(N2CCN(C(=O)C(N)=O)CC2)C1 1073596180 IOCDZPXDZCCXHO-UHFFFAOYSA-N 308.382 -0.817 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC(O)(CNC(=O)COC)CC1 1074588446 IYXUUJMFFYWKPD-GFCCVEGCSA-N 312.366 -0.859 30 20 DBED C#CCOCCC(=O)N[C@@H](C)CCNC(=O)C[C@H]1COC(=O)C1 1076155948 VIYSIPSUWVBXON-QWHCGFSZSA-N 324.377 -0.010 30 20 DBED C#CCOCCC(=O)NCC[C@H](C)NC(=O)Cn1cnnc1O 1076504164 OGQFZLQYDLTTOV-NSHDSACASA-N 323.353 -0.965 30 20 DBED C#CCO[C@H](C)C(=O)NCC[C@H](C)NC(=O)c1cnnn1CC 1076507334 CYDOAYKKDPXDJQ-NWDGAFQWSA-N 321.381 -0.039 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCc3nccn32)C1 1077130922 JKVHLBVUIKVTFN-HZSPNIEDSA-N 302.378 -0.055 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)c2ccc(CNC(C)=O)o2)C1 1077848864 UMTHQSVQYPYJKB-ZIAGYGMSSA-N 319.361 -0.286 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(C[C@H](C)OC)C[C@H]2O)cn1 1078032484 QKUZBXSGEZEYFO-NILFDRSVSA-N 303.362 -0.127 30 20 DBED C[C@@H](CCNC(=O)[C@H]1CNC(=O)N1)NC(=O)c1ccc(C#N)[nH]1 1078091467 WGTSWMBGBLRSSS-GZMMTYOYSA-N 318.337 -0.808 30 20 DBED COCC(=O)NCCC(=O)N[C@@H](C)CCNC(=O)[C@@H](C)C#N 1078134883 LHZXXVUATQPLQV-QWRGUYRKSA-N 312.370 -0.690 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H](C)CCNC(=O)c1cn(C)c(O)n1 1078210907 SALVONCZRYSSSM-QWRGUYRKSA-N 322.365 -0.211 30 20 DBED CNC(=O)NCC(=O)N(C)[C@H]1CCCN(C(=O)[C@@H](C)C#N)CC1 1078982402 SBUBVPXSAXAASL-RYUDHWBXSA-N 323.397 -0.085 30 20 DBED C=CCOCC(=O)N(CC)C1CN(C(=O)[C@H](COC)OC)C1 1079492638 GLPZNYBEWKKEIN-ZDUSSCGKSA-N 314.382 -0.090 30 20 DBED CCN(C(=O)C#CC1CC1)C1CN(C(=O)CNC(=O)C2CC2)C1 1079737020 TYRVICWZDDRFRV-UHFFFAOYSA-N 317.389 -0.015 30 20 DBED C#CCN1C[C@@H](NC(=O)CN2CCCCS2(=O)=O)[C@H](C)C1 1080139407 BXALRDHXTBUIAT-CHWSQXEVSA-N 313.423 -0.518 30 20 DBED C=CCCC(=O)NC1(CO)CCN(C(=O)[C@H]2CCC(=O)N2)CC1 1080767277 XAOBHOBFTBONPC-GFCCVEGCSA-N 323.393 -0.299 30 20 DBED C[C@H](C#N)C(=O)NC1(CO)CCN(C(=O)[C@@H]2CCCO2)CC1 1080980158 LSRQQPKMQZTUFD-NEPJUHHUSA-N 309.366 -0.205 30 20 DBED C[C@H](C#N)C(=O)NC1(CO)CCN(C(=O)CCCC(N)=O)CC1 1080983545 QSBFRZDNMSDTSA-LLVKDONJSA-N 324.381 -0.729 30 20 DBED CCC(=O)NCC(=O)NC[C@H]1CN(C(=O)C#CC(C)C)C[C@H]1O 1081349903 VTUSYZVAEYNZMM-QWHCGFSZSA-N 323.393 -0.893 30 20 DBED C=CCCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2ncn(C)n2)C1 1081453223 RQUAUUXOFXDDBO-VXGBXAGGSA-N 321.381 -0.280 30 20 DBED C=CCCC(=O)N1C[C@H](CNC(=O)c2cccnn2)[C@@H](O)C1 1081687486 GSTBJGPTSMAQOK-AAEUAGOBSA-N 304.350 -0.008 30 20 DBED CC#CCN1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)[C@H](OC)C1 1082142837 KJUBJHGQXNXNNX-XJFOESAGSA-N 307.394 -0.273 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2c[nH]c3ccccc3c2=O)C1 1083597574 BNBTUSOPTNPROR-KGLIPLIRSA-N 312.329 -0.173 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCc3n[nH]cc3C2)C1 1083949181 VHDBYJBDICRWMZ-DFBGVHRSSA-N 302.378 -0.301 30 20 DBED CC#CCN1CC[C@@H]2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)C[C@@H]21 1084961279 YOBOXYNCKIHDQT-AGIUHOORSA-N 318.377 -0.469 30 20 DBED C#CCCN1CC[C@H](NC(=O)[C@@H]2Cc3cncn3C(=O)N2)[C@H]1C 1088763702 VIFCNWVCIJKPAZ-XBFCOCLRSA-N 315.377 -0.032 30 20 DBED CCNC(=O)CC(=O)N[C@@H](C)C[C@@H](C)N=c1cc[nH]c(C#N)n1 1089281493 UBNMSFAYBSKRSX-MNOVXSKESA-N 318.381 -0.008 30 20 DBED N#Cc1nccc(N2CC=C(CCNC(=O)CC(N)=O)CC2)n1 1089821957 GBHBZVUBRMRTQV-UHFFFAOYSA-N 314.349 -0.134 30 20 DBED C#CCN1CC[C@H](NC(=O)c2nc(OC)cc(OC)n2)[C@H](O)C1 1090363216 KXOFSORCXPQYFU-WDEREUQCSA-N 320.349 -0.708 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2nn(CC)nc2C)[C@H](O)C1 1090851696 HRUNEHVVTODMLO-QWHCGFSZSA-N 305.382 -0.205 30 20 DBED CCCOCC(=O)N[C@@H]1CN(c2nc(C)cc(C#N)n2)C[C@@H]1O 1091071144 XFEYCJUPGAIGCA-OLZOCXBDSA-N 319.365 -0.251 30 20 DBED CO[C@@H](C)CC(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1091073271 NXEWLEWUFWMUFJ-WCQGTBRESA-N 305.338 -0.561 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1CNC(=O)[C@@H]1CCN(C)S1(=O)=O 1093044763 PVTXUHSBFQRGOP-UTUOFQBUSA-N 314.411 -0.772 30 20 DBED C#CCN1CC(OC2CCN(C(=O)[C@@H]3COCCN3C)CC2)C1 1093529274 RGMNBZUJNHAVLB-INIZCTEOSA-N 321.421 -0.358 30 20 DBED CN1CCC(OCC(=O)NCCNc2nccnc2C#N)CC1 1093815393 ZLRUNCBBHZVTAK-UHFFFAOYSA-N 318.381 -0.013 30 20 DBED C#CCN1CC(n2cc(CNC(=O)c3cc(C#N)c[nH]3)nn2)C1 1094284180 YWXBRJQLQWDQNF-UHFFFAOYSA-N 309.333 -0.102 30 20 DBED C#CCN1CC(n2cc(CNC(=O)c3cnnn3CC)nn2)C1 1094288071 DLJGDOOMVLQLSZ-UHFFFAOYSA-N 314.353 -0.691 30 20 DBED CN1CC[C@H](C(=O)NCCCNc2cnc(C#N)cn2)C1=O 1094705349 MOVURPOLRMPEDO-LLVKDONJSA-N 302.338 -0.255 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)[C@@H]3CCCOC3)CC2=O)C1 1094711054 AFJXSLITUCSORZ-CHWSQXEVSA-N 305.378 -0.553 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)c3cnn(CC)c3)CC2=O)C1 1094716262 YAQZGSLLUQIXFF-ZDUSSCGKSA-N 315.377 -0.449 30 20 DBED CC[C@H](NC(C)=O)C(=O)N1CC[C@@H](N=c2cc[nH]c(C#N)n2)C1 1095084612 XCJFUBWFMPWCHT-NEPJUHHUSA-N 316.365 -0.302 30 20 DBED N#Cc1nccnc1N1CCCN(C(=O)CCNC(N)=O)CC1 1095181133 TVVNKJALAVBLBZ-UHFFFAOYSA-N 317.353 -0.555 30 20 DBED C=C(C)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C[C@@H]1NC(=O)NC1=O 1095552614 LQWOACCVFMEVJX-RHYQMDGZSA-N 306.366 -0.118 30 20 DBED CCN(CCCNC(=O)CNC(=O)NC)c1ccnc(C#N)n1 1095980022 AYQGBXUARMRGNN-UHFFFAOYSA-N 319.369 -0.390 30 20 DBED CNS(=O)(=O)CC(=O)N[C@H]1CCN(c2ncccc2C#N)C1 1096382694 QCMAGKYIZZRFNC-NSHDSACASA-N 323.378 -0.803 30 20 DBED C[C@H](CNC(=O)[C@H]1CCCC(=O)N1C)N=c1cc[nH]c(C#N)n1 1097985349 MXMXOVGSLFSMNK-GHMZBOCLSA-N 316.365 -0.302 30 20 DBED COCC(=O)N[C@@H](C)C(=O)NC[C@@H](C)Nc1ccc(C#N)nn1 1098341861 HINSHFTXODAVIG-ZJUUUORDSA-N 320.353 -0.584 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)c2ccsc2)[C@H](O)C1 1099650574 HGJFYEBZIHKXAO-CHWSQXEVSA-N 321.402 -0.338 30 20 DBED C=C(Cl)CN1CC[C@@H](NC(=O)CN(C)C(C)=O)[C@H](O)C1 1099690626 RROWOXJHXRNEIH-VXGBXAGGSA-N 303.790 -0.231 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(Cc2cncn2C)C[C@@H]1O 1099741466 UKOMNIVNNTUIQK-KBPBESRZSA-N 308.382 -0.326 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)Cc2cc[nH]n2)[C@@H](O)C1 1099749489 JSJHQGQBHVROER-KGLIPLIRSA-N 306.366 -0.847 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2ccc(C)nn2)[C@H](O)C1 1099813628 RSLNGXKPNRJVSH-UKRRQHHQSA-N 318.377 -0.400 30 20 DBED C=CCCCN1CC[C@H](NC(=O)c2nnc(O)nc2O)[C@@H](O)C1 1099904662 ZQCOCSGNRXFCJH-UWVGGRQHSA-N 323.353 -0.586 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)CS(=O)(=O)CC)[C@H](O)C1 1100129411 MBXFPXIXIYRVJR-VXGBXAGGSA-N 304.412 -0.451 30 20 DBED CCS(=O)(=O)CC(=O)NCCN(C)c1ccc(C#N)cn1 1100147911 BHILWIQIFZHZCQ-UHFFFAOYSA-N 310.379 -0.060 30 20 DBED COCC#CCNC1CC(CNC(=O)CCS(C)(=O)=O)C1 1100450864 NJESAZBIIVMVMS-UHFFFAOYSA-N 316.423 -0.445 30 20 DBED CCC(=O)NCC(=O)NCCN(CC)c1nccnc1C#N 1100469603 XSLDJTCCSOSWOB-UHFFFAOYSA-N 304.354 -0.183 30 20 DBED CC(C)[C@H](C(=O)NCC1CC(NCC(=O)NCC#N)C1)N(C)C 1100651662 CBLXGUDKIZQWTQ-SSDMNJCBSA-N 323.441 -0.303 30 20 DBED N#Cc1ccc(N2CCC[C@H]2CNC(=O)Cn2ncnn2)nn1 1100867927 JDAKKLKHZBTNPM-NSHDSACASA-N 313.325 -0.880 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CC(CNC(=O)Cn2ccnc2)C1 1101069118 IHIHPVLXZZFWQV-IYXRBSQSSA-N 317.393 -0.495 30 20 DBED Cc1cc(C#N)nc(NCCN(C)C(=O)Cn2ncnn2)n1 1101800526 OIHXBLTZOCGRDN-UHFFFAOYSA-N 301.314 -0.786 30 20 DBED CC[C@@H](CNC(=O)c1c[nH]c(=O)cn1)N=c1cc[nH]c(C#N)n1 1103284580 UAIUZHLJVQBPSH-VIFPVBQESA-N 313.321 -0.526 30 20 DBED C#CCOCCC(=O)NC[C@H](C)CN=c1cc[nH]c(C#N)n1 1104089279 DYMGPHSEEQKZNP-GFCCVEGCSA-N 301.350 -0.026 30 20 DBED C[C@H](CNC(=O)c1nnn(C)n1)CNc1cncc(C#N)n1 1104182354 YAYXFASDBDQPFZ-QMMMGPOBSA-N 301.314 -0.650 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)c1cc[n+]([O-])cc1 1104477532 LPTZQLFBXNXNDT-NSHDSACASA-N 312.333 -0.024 30 20 DBED CNC(=O)C1(C(=O)N(C)CCN(C)c2cnc(C#N)cn2)CC1 1105431672 PHWOVZSRWWBAJA-UHFFFAOYSA-N 316.365 -0.231 30 20 DBED CN1C[C@@H](C(=O)N(C)CCN(C)c2ccc(C#N)nn2)NC1=O 1105536264 UGCNZAOZKOKQPB-NSHDSACASA-N 317.353 -0.734 30 20 DBED C#CCOCCC(=O)N1CCC(OC2CN(CC(N)=O)C2)CC1 1105708341 CBSMIQYMYTYTPP-UHFFFAOYSA-N 323.393 -0.797 30 20 DBED COCC1(C(=O)NC[C@@H](O)CNc2cnc(C#N)cn2)CC1 1106023279 RHCAAVBIBUEHPB-NSHDSACASA-N 305.338 -0.336 30 20 DBED CCN(CCNc1nccnc1C#N)C(=O)[C@@H]1COCCN1C 1106731984 PQAJHLNJUIVHME-ZDUSSCGKSA-N 318.381 -0.061 30 20 DBED CCN(CCNc1nccnc1C#N)C(=O)Cn1cnnc1O 1106732029 SDDAZEKWDBHAPU-UHFFFAOYSA-N 316.325 -0.394 30 20 DBED CN1CCOC[C@@H]1C(=O)NC/C=C/CNc1cncc(C#N)n1 1107161547 JYXICWWNAQXSMR-YWVDXFKGSA-N 316.365 -0.237 30 20 DBED COCC#CCN1CCO[C@@](C)(CNC(=O)[C@@H]2CCOC2)C1 1107794285 ZCUXOWZTUDKXFI-ZBFHGGJFSA-N 310.394 -0.120 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)[C@@H](C)NC(=O)CC)CC2=O)C1 1108548370 LVXVQRBAWIWGQQ-NEPJUHHUSA-N 322.409 -0.512 30 20 DBED N#Cc1nccnc1N1C[C@H]2C[C@H]1[C@@H]2NC(=O)C1(C(N)=O)CC1 1109740029 JJTUGIOSLXWQFR-DVVUODLYSA-N 312.333 -0.693 30 20 DBED CNC(=O)CC(=O)N[C@@H](CN=c1cc[nH]c(C#N)n1)C1CC1 1109841294 AZXPTFDBLOISMK-JTQLQIEISA-N 302.338 -0.787 30 20 DBED CN(C)CCOCC(=O)NCC1(Nc2cnc(C#N)cn2)CC1 1110190396 VNSXQWCYXSPDCS-UHFFFAOYSA-N 318.381 -0.013 30 20 DBED CC(C)[C@@H](O)C(=O)NC[C@]1(O)CCN(c2ccnc(C#N)n2)C1 1111076128 UVFJJBMSKDJZSU-UKRRQHHQSA-N 319.365 -0.577 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@]1(O)CCN(c2nc(C)ns2)C1 1111098880 XIVIFKQASYVRKD-HZMBPMFUSA-N 324.406 -0.058 30 20 DBED CO[C@H](C)C(=O)N(C)[C@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1111171144 SCJXOBBNRZQMAI-USWWRNFRSA-N 305.338 -0.609 30 20 DBED CC(C)[C@@H](O)C(=O)N(C)[C@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1111181403 ULCFANKGDOMTJD-COPLHBTASA-N 319.365 -0.627 30 20 DBED CC(C)(O)CC(=O)N(CCO)CCN=c1cc[nH]cc1C#N 1111458870 MBEHSCFHAAMPKE-UHFFFAOYSA-N 306.366 -0.231 30 20 DBED CCN(CC)CC(=O)N(CCO)CCNc1nccnc1C#N 1111480827 LNNDCNYWFJTDLF-UHFFFAOYSA-N 320.397 -0.077 30 20 DBED N#Cc1nccnc1NCCN(CCO)C(=O)c1n[nH]cc1F 1111554824 GIPPGKIGDYPQFM-UHFFFAOYSA-N 319.300 -0.243 30 20 DBED CNC(=O)CC(=O)N(C)CCCN(C)c1cnc(C#N)cn1 1112070648 ZPJNABQYQGYLCJ-UHFFFAOYSA-N 304.354 -0.231 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1112721263 XIHJESHVQMYUDV-JSGCOSHPSA-N 313.361 -0.079 30 20 DBED CNC(=O)NC(=O)[C@@H](C)N1CCN(C(=O)C#CC(C)C)CC1 1112834411 MMVADOPJTZMYBU-GFCCVEGCSA-N 308.382 -0.366 30 20 DBED COC[C@@H](OC)C(=O)NC1CC(CN=c2cc[nH]c(C#N)n2)C1 1112868767 YWEVGCKZCFRZFA-HTAVTVPLSA-N 319.365 -0.262 30 20 DBED CCc1nc(C#N)cc(N[C@@H](C)[C@@H](C)NC(=O)CNC(N)=O)n1 1112894947 NNHDASBVHIVXPP-DTWKUNHWSA-N 319.369 -0.116 30 20 DBED C[C@@H](CNC(=O)[C@H]1CNC(=O)N1)N(C)c1ncccc1C#N 1113870375 XRFXALJTDJTVEM-GXSJLCMTSA-N 302.338 -0.424 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)COCC3CC3)[C@@H]2C1 1113924754 JIAVHNXNYGKVLF-IACUBPJLSA-N 319.405 -0.403 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1[C@@H]2CN(CC[C@@H]3CCOC3)C[C@@H]21 1114159541 HGVWADLVXHLCJR-WVZRYYJFSA-N 319.405 -0.401 30 20 DBED CC#CCN1C[C@H]2[C@H](NC(=O)CNC(=O)c3ccncc3)[C@H]2C1 1114314807 VTILORPSCAWRNV-FOLVSLTJSA-N 312.373 -0.119 30 20 DBED C=CCOCCN1C[C@@H]2C(NC(=O)c3cc(=O)n(C)cn3)[C@H]2C1 1114421603 QVLOJPVKDJWLBH-RYUDHWBXSA-N 318.377 -0.357 30 20 DBED CC#CCN1C[C@@H]2C(NC(=O)CN(C)CC(=O)NC(C)C)[C@H]2C1 1114520884 CTHZGWQVGSTPLW-KBPBESRZSA-N 320.437 -0.488 30 20 DBED CNC(=O)C1(C(=O)N[C@H]2[C@@H]3CN(CC#CCOC)C[C@@H]32)CCC1 1115155868 CXCNCCMYAKGPDS-WDNDVIMCSA-N 319.405 -0.401 30 20 DBED C=CCCCN1C[C@H]2[C@H](NC(=O)Cn3nc(C)n(C)c3=O)[C@H]2C1 1115188101 HZICMKSNHRFUFB-NHAGDIPZSA-N 319.409 -0.097 30 20 DBED C#CCNC(=O)CC(=O)N(C)C[C@@H](C)Nc1nccnc1C#N 1115684521 YXHMFGKITMXIQO-LLVKDONJSA-N 314.349 -0.253 30 20 DBED CC[C@@]1(C)CN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)CCO1 1118186642 IXHCKJCCYRWXMI-GJZGRUSLSA-N 309.366 -0.109 30 20 DBED COCC#CC(=O)N(CCN(C)C)[C@@H]1CCS(=O)(=O)C1 1118659120 XLFJYHBABHSXCL-GFCCVEGCSA-N 302.396 -0.787 30 20 DBED C=CCN(C(=O)C(=O)NCCN1CCCC1=O)[C@H](C)COC 1118723138 AAOBFUUPKLUWAS-GFCCVEGCSA-N 311.382 -0.226 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C[C@@H](C)Nc1ccc2nnnn2n1 1120094049 UYWYJVDUXLTLRO-MNOVXSKESA-N 317.353 -0.184 30 20 DBED CC#CCN(C)c1nnnn1C[C@@H]1CCN(S(C)(=O)=O)C1 1120103110 AWLQYAOFZFWCTQ-LLVKDONJSA-N 312.399 -0.586 30 20 DBED Cc1nc(C(=O)NC[C@H](CO)N=c2cc[nH]cc2C#N)co1 1121372093 UYPIHRADZNJDKH-LLVKDONJSA-N 301.306 -0.126 30 20 DBED COCC[C@@H](C)C(=O)NC[C@H](CO)Nc1nccnc1C#N 1121606809 JPLGRFPYLKZEKG-GHMZBOCLSA-N 307.354 -0.090 30 20 DBED CNC(=O)C1(C(=O)NC[C@H](CO)Nc2ccc(C#N)nc2)CC1 1121756592 GWQLDKCQNHINQI-GFCCVEGCSA-N 317.349 -0.632 30 20 DBED Cc1ncc(CC(=O)NC[C@@H](CO)Nc2cnc(C#N)cn2)o1 1122192335 XRHHUHDSAZOIOC-NSHDSACASA-N 316.321 -0.224 30 20 DBED Cc1nocc1C(=O)NC[C@H](CO)Nc1nccnc1C#N 1122438671 WHRRVHXTAPTOCL-SECBINFHSA-N 302.294 -0.153 30 20 DBED Cc1nsc(N[C@H](CO)CNC(=O)C2(C(N)=O)CC2)c1C#N 1122451422 IXKRWBFXBSNODE-QMMMGPOBSA-N 323.378 -0.522 30 20 DBED Cn1c(=O)ccn(CC(=O)[C@H](C#N)c2cccc(F)n2)c1=O 1122713815 FCCGZLGMGCDHMK-SECBINFHSA-N 302.265 -0.042 30 20 DBED CCC(=O)N[C@@H](C)C(=O)NC[C@H](CO)N=c1cc[nH]cc1C#N 1122753149 WOIKBIHKAUZRJN-CMPLNLGQSA-N 319.365 -0.821 30 20 DBED CSCCC(=O)N(C)C[C@@H](O)CN=c1cc[nH]c(C#N)n1 1124076460 JIIQCOXZRRCWNA-JTQLQIEISA-N 309.395 -0.246 30 20 DBED CN(C[C@H](O)CNc1ccc(C#N)nn1)C(=O)CSCC#N 1124112600 XYTPOYDMVKCBLV-LLVKDONJSA-N 320.378 -0.164 30 20 DBED CCC(=O)NCC(=O)N(C)C[C@@H](O)CNc1ccc(C#N)nc1 1124185869 UEEWLJZBHAWTIG-ZDUSSCGKSA-N 319.365 -0.289 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]cc1C#N)C(=O)c1ccn(C)n1 1124353029 SNXRINZADPAAGI-GFCCVEGCSA-N 314.349 -0.346 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]cc1C#N)C(=O)c1n[nH]cc1F 1124721831 QZQQPNKYPXIVAU-SNVBAGLBSA-N 318.312 -0.218 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)c1cn(C)nc1C 1124962296 OADPVYDTUUPOGC-UHFFFAOYSA-N 320.397 -0.190 30 20 DBED C#Cc1cccc(NC(=O)CNCCNC(=O)CC(=O)NC)c1 1126169825 QAYCPRNKOMEIIM-UHFFFAOYSA-N 316.361 -0.552 30 20 DBED Cn1nc(C2CC2)cc1C(=O)NCCNCC(=O)NCC#N 1128486353 YDGTZFJJWGTHBZ-UHFFFAOYSA-N 304.354 -0.743 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCN[C@@H](C)C(=O)NCC(C)C 1129790659 FYMAKECNNVYVEO-GJZGRUSLSA-N 322.453 -0.050 30 20 DBED C=CCOCC(=O)N1C[C@H]2C[C@@H]3CN([C@@H](C)C(N)=O)C[C@]2(C1)O3 1131197726 QEONIKVRZFAWNU-VPWBDBDCSA-N 323.393 -0.636 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1cccc2nccn12 1131273043 CESPXILVCKMDDS-LBPRGKRZSA-N 313.361 -0.208 30 20 DBED CCC(=O)N[C@@H](C)C(=O)N1CCC(=O)NCCN(CC#N)CC1 1131362235 QJMVBPGBNAOCCZ-LBPRGKRZSA-N 323.397 -0.925 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cc(F)ccc1OC 1132092920 ITLWNSXHKMUCLO-UHFFFAOYSA-N 307.325 -0.097 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)c1cc[n+]([O-])cc1)NCC(=O)NCC#N 1133636974 QBTYMHOAEIYGGP-NWDGAFQWSA-N 319.365 -0.554 30 20 DBED C#CCNC(=O)CNCCNC(=O)C(C)(C)c1cnn(C)c1 1136103999 SAQHISANYNHCFJ-UHFFFAOYSA-N 305.382 -0.847 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CN(Cc2cn(C)nn2)CCCO1 1149405736 DJLXWXPOIKEFTD-AAEUAGOBSA-N 306.370 -0.318 30 20 DBED C=CCN1CCCO[C@@H](CNC(=O)[C@H](C)NC(=O)COC)C1 1149764804 QIUWLUYBHNDSKR-STQMWFEESA-N 313.398 -0.469 30 20 DBED C=CCCOCC(=O)NCCN[C@@H](C)C(=O)NCCCOC 1153091033 CYTGRWQPGURAOP-ZDUSSCGKSA-N 315.414 -0.174 30 20 DBED CCN(CC#CCOC)[C@H](C)CNC(=O)[C@@H]1CC(=O)NC(=O)N1 1155510055 PDRDAOHUANYZDR-NEPJUHHUSA-N 324.381 -0.939 30 20 DBED COCC#CCNCCCNC(=O)[C@@H]1CN2CCC[C@H]2CO1 1158487037 VISQRRUPBHHTPO-GJZGRUSLSA-N 309.410 -0.405 30 20 DBED C=CCOCC(=O)NCC1(COC)CCN(CC(N)=O)CC1 1162155162 IVXBHTPHJAIMRM-UHFFFAOYSA-N 313.398 -0.481 30 20 DBED N#CCNC(=O)CNCC1(CCNC(=O)C2=CCOCC2)CC1 1164223421 RCZPCMMQUGKWBK-UHFFFAOYSA-N 320.393 -0.151 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1cc2ncccn2n1 1168916634 IWKYBKJSBXGNEU-UHFFFAOYSA-N 314.349 -0.812 30 20 DBED C=CCOCCNCCCNC(=O)C(=O)NCC(F)(F)F 1169453574 NEMHOASCOOSZJQ-UHFFFAOYSA-N 311.304 -0.037 30 20 DBED C=CCN1CC[C@H](NCCCC[C@H](C)NC(=O)C(N)=O)C1=O 1175024055 XAYHMUOZCBONJY-RYUDHWBXSA-N 310.398 -0.477 30 20 DBED C[C@@H](CCCCNCC(=O)NCC#N)NC(=O)[C@@H]1CCC(=O)N1 1176245689 HZMCMWIMFZXMRT-RYUDHWBXSA-N 323.397 -0.831 30 20 DBED C=CCCC(=O)N1CC[C@H]2OCCN(CC(=O)NC(N)=O)[C@@H]2C1 1176955810 ZOBITUOERARCNS-VXGBXAGGSA-N 324.381 -0.551 30 20 DBED C=CCO[C@@H](C)C(=O)NCCCN[C@@H](C)C(=O)NC(=O)NC 1177277103 MCTFNVHGTDSFHJ-QWRGUYRKSA-N 314.386 -0.483 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)CCC(=O)NCC)C1 1181591257 YZFJGRCGFJFCNA-CHWSQXEVSA-N 322.409 -0.769 30 20 DBED C#CCNC[C@@H]1CCN(C(=O)CN(C)S(C)(=O)=O)C[C@@H]1C 1184523451 LXGMPSXFOXUXDZ-STQMWFEESA-N 315.439 -0.415 30 20 DBED C=CCOCC(=O)N1CC[C@H](N(C)CCN2CCNC2=O)C1 1189379625 LDUAXJMKKMSUPW-ZDUSSCGKSA-N 310.398 -0.253 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@@H](N(C)CC(=O)NCC=C)C1 1190095352 TUEGMOXPHMDIMT-UONOGXRCSA-N 307.394 -0.140 30 20 DBED C=CCCC(=O)N[C@@H]1CN(Cc2nc(CCOC)no2)C[C@H]1O 1191622481 OADXQUWFSWHGMR-VXGBXAGGSA-N 324.381 -0.114 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)c2cnn(CC)n2)C1 1192658428 YXQXVKYCHRAFSB-CHWSQXEVSA-N 309.370 -0.725 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)CNC(=O)c2ccoc2C)C1 1193191504 PICNWLFDHBSNMF-ZIAGYGMSSA-N 319.361 -0.498 30 20 DBED CN(CC(=O)NCC#N)[C@@H]1CCN(C(=O)Cc2cncn2C)C1 1193460633 COIRZHXOSCOPEQ-GFCCVEGCSA-N 318.381 -0.865 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)COc2ccsc2)C1 1197833965 OTZUBGXTJGRVFV-ZIAGYGMSSA-N 324.402 -0.062 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)CS(=O)(=O)CCCC)C1 1199163515 JWCZNMIPJCQZRZ-VXGBXAGGSA-N 304.412 -0.451 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)CCc2nc[nH]n2)CCCO1 1200207383 SSUVYTYFNRSDFE-CYBMUJFWSA-N 305.382 -0.032 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)[C@@H](C)NC(=O)CC)CC1 1200720555 HCMJSCOOCSIKCL-GFCCVEGCSA-N 322.409 -0.769 30 20 DBED CC#CCNC[C@H]1CN(C(=O)c2c[nH]c(=O)cn2)CCCO1 1201270094 XWGYHFQZJLZOTE-LBPRGKRZSA-N 304.350 -0.386 30 20 DBED CO[C@@H](C)CCC(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1206894983 ZGERESLQICVRIB-FRRDWIJNSA-N 310.398 -0.122 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)CCOCC#C)[C@H](C)C1 1206958017 VZQDZWCTMMFTDU-RBSFLKMASA-N 319.405 -0.399 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@H]1CCCN(C(=O)C(C)(C)C(N)=O)C1 1208373304 HXDOJUFZEVNBAC-NEPJUHHUSA-N 324.425 -0.231 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)c2coc(OC)n2)C1 1208771124 WZCBXMNMAYATOB-LLVKDONJSA-N 320.349 -0.373 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)Cc2cnoc2)C1 1209213296 MVVSCSJCVUMZRL-CYBMUJFWSA-N 304.350 -0.453 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2ccnn2C)C[C@H]1OC 1212262106 BCGQDUZFKPBRRI-HUUCEWRRSA-N 320.393 -0.225 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2cnns2)C[C@H]1OC 1212264516 KQKUOPZYQBEATN-CYZMBNFOSA-N 324.406 -0.108 30 20 DBED C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1NCC(=O)NCC#N 1214860993 DORWYGKCPBCSBN-TZMCWYRMSA-N 321.425 -0.453 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)c2ccc(O)nc2)C[C@H]1C 1216647799 UUVRJEHRIBATJM-DGCLKSJQSA-N 316.361 -0.413 30 20 DBED C=CCCOCC(=O)N1C[C@@H](N[C@H]2CCC(=O)NC2=O)[C@H](C)C1 1216919267 PNAHBJZCDPZIHL-FRRDWIJNSA-N 323.393 -0.179 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(Cc2cnn(CC)n2)C[C@@H]1O 1219527376 NOODGFKFGRVUDE-IPYPFGDCSA-N 323.397 -0.714 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)c2cnc(C3CC3)o2)C1 1219818091 HBINCANSUQSGFW-OLZOCXBDSA-N 319.361 -0.023 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)c2cn(C)nc2CC)C1 1219849777 QEUXANKASXFNAH-CABCVRRESA-N 322.409 -0.040 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](NC(=O)[C@H](C)NS(C)(=O)=O)C1 1220427631 MEUVPGZWMSWXKD-TUAOUCFPSA-N 319.427 -0.948 30 20 DBED CCC[C@@H](C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@@H]1O)C(C)C 1220451878 LSWNNJYYMDVPJT-MCIONIFRSA-N 324.425 -0.140 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)[C@H](CC)N(C)C)[C@@H]2C1 1221815819 DDQPKQGQLYNDFF-QLFBSQMISA-N 320.437 -0.391 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@H](C)OCC=C)C1 1222067067 BOTKNGZJLSJESR-UONOGXRCSA-N 307.394 -0.093 30 20 DBED C#CCN1CCS(=O)(=O)[C@@H](CCNC(=O)C(C)(C)F)C1 1230406331 KYSPWVDCMDCUTJ-NSHDSACASA-N 304.387 -0.027 30 20 DBED CCn1cc(C(=O)N(C)C[C@@H]2CCN2CC(=O)NCC#N)cn1 1231310660 BPFIQKVOSURTOP-ZDUSSCGKSA-N 318.381 -0.311 30 20 DBED C=C(Cl)CN1CC[C@H]1CN(C)C(=O)C[C@@H]1NC(=O)NC1=O 1235473893 YEDLZXNCSUEZFY-UWVGGRQHSA-N 314.773 -0.130 30 20 DBED C#CCSCCn1nnnc1N(C)CCNC(=O)N(C)C 1262413454 OYMDSBUKZWGTCQ-UHFFFAOYSA-N 311.415 -0.253 30 20 DBED C#CCN(CC#N)C(=O)Cc1ccc(S(=O)(=O)CCO)cc1 1321332485 PMPXXFQDZLPCQG-UHFFFAOYSA-N 320.370 -0.020 30 20 DBED C=CCCOCCNC(=O)C(=O)Nc1cnn(CC(=O)NC)c1 1324469266 RPQZBYBFOUDHGB-UHFFFAOYSA-N 323.353 -0.724 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CCC[C@@](C)(O)C2)nn1 1325986752 NLFMGLGANFUISI-CQSZACIVSA-N 307.354 -0.546 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCC[C@]12CCOC2=O)[C@H]1CCCO1 1327257236 AJJJDJFAOQQTRN-HWWQOWPSSA-N 320.345 -0.409 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N1C[C@H](C)O[C@H](COC)C1 1328441417 XSDYOHBAWVBINB-KBPBESRZSA-N 306.362 -0.266 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)N(CCO)C2CC2)CCN1C1CC1 1330320693 ZVHQWXBFZLUVJX-ZDUSSCGKSA-N 306.366 -0.832 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N(C)CC2(C)COC2)C1=O 1331613723 OMMYLSKAZICTHA-GFCCVEGCSA-N 323.393 -0.273 30 20 DBED C=CCN(C(=O)C(=O)NCCCS(=O)(=O)NC)C(C)C 1336631219 LKSFRFTUTQXONL-UHFFFAOYSA-N 305.400 -0.535 30 20 DBED C=CC[C@H]1NC(=O)N(C[C@H]2CCN(S(C)(=O)=O)C2)C1=O 1339079934 SAHVNOZAYOXQNH-VHSXEESVSA-N 301.368 -0.236 30 20 DBED CN1C(=O)CN(NC(=O)C(=O)Nc2ccc(C#N)c(F)c2)C1=O 1343518608 HSBHJXFJVNAGEQ-UHFFFAOYSA-N 319.252 -0.439 30 20 DBED C#CCOCCn1nnnc1N1CCC[C@@H](CNC(C)=O)C1 1344582769 FNOAIINKUUWHPN-ZDUSSCGKSA-N 306.370 -0.325 30 20 DBED C=CC[C@@H](CO)CNC(=O)NCCN1CCC2(C1)OCCO2 1346559817 VTOVBBMWYJKIKR-CYBMUJFWSA-N 313.398 -0.081 30 20 DBED C=CCn1c([C@@H]2CNC(=O)C2)nnc1N(C)C[C@H](C)C(=O)NC 1355379184 KAUQXBDNUUVZCB-QWRGUYRKSA-N 320.397 -0.114 30 20 DBED CC[C@H]1COCCN1CCNc1[nH]c(=O)n(C)c(=O)c1C#N 1363160162 XGNCTHOSLKETNW-JTQLQIEISA-N 307.354 -0.532 30 20 DBED N#Cc1ccc(Cl)cc1NC(=O)Cn1nnc(C(N)=O)n1 1364305781 AHWTVBAFGOBTCU-UHFFFAOYSA-N 305.685 -0.064 30 20 DBED COC(=O)c1c[nH]nc1S(=O)(=O)N1CC[C@](F)(C#N)C1 1364818749 CZEGDZQZISXCGR-JTQLQIEISA-N 302.287 -0.177 30 20 DBED COCC(=O)N(C)CC(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H](C)C#N)C1 1371674617 UVSHQMZMSJHMSJ-SDDRHHMPSA-N 324.381 -0.738 30 20 DBED C=C(Br)CNC[C@H](O)CNC(=O)CNC(C)=O 1374571897 IOVXZTCCBRBLDK-VIFPVBQESA-N 308.176 -0.902 30 20 DBED C=C(Cl)CNC[C@H](O)CNC(=O)[C@H]1CCS(=O)(=O)C1 1379230683 ZCVRYMODTYDKIQ-UWVGGRQHSA-N 310.803 -0.760 30 20 DBED COCCN(CCNC(=O)c1cnccn1)C(=O)[C@@H](C)C#N 1396160155 VYBFIJBUGSDZMZ-NSHDSACASA-N 305.338 -0.159 30 20 DBED COC[C@@H](OC)C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N 1411902980 XUQQGEFGURZIHY-SNVBAGLBSA-N 309.326 -0.282 30 20 DBED N#Cc1ccsc1NC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1O 1413611305 UWUBVOYHBMZQPL-HTQZYQBOSA-N 301.349 -0.101 30 20 DBED C[C@H]1CN(C(=O)CN2CCN(C(=O)[C@@H](C)C#N)CC2)CCO1 1415821768 ZNWFZRPDKPRTQB-STQMWFEESA-N 308.382 -0.462 30 20 DBED Cn1cnc(C(=O)NC[C@H](O)CNC(=O)c2cc(C#N)c[nH]2)c1 1416747928 CHTAOZHUDHIEPU-SNVBAGLBSA-N 316.321 -0.859 30 20 DBED CC1(C#N)CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)CC1 1417692999 YILCHVKAKVZFRT-UHFFFAOYSA-N 301.306 -0.027 30 20 DBED CC(=O)C[C@@H]1COCCN1C(=O)Cn1cc(C#N)c(O)nc1=O 1417711275 CNSMWLXHNACEGL-LLVKDONJSA-N 320.305 -0.973 30 20 DBED C=C(Cl)CN1CC(O)(CNC(=O)c2ccc(C(N)=O)o2)C1 1421460526 CBMRQGDLNPGDJB-UHFFFAOYSA-N 313.741 -0.093 30 20 DBED N#CC[C@@H](O)CN1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1421476060 JPOYLNIEDYNISG-CQSZACIVSA-N 322.409 -0.303 30 20 DBED C=C(Cl)CN1CC[C@@H]1CNC(=O)Cn1ccc(O)nc1=O 1423116128 XPHKCOKSRBTZFJ-SNVBAGLBSA-N 312.757 -0.108 30 20 DBED N#Cc1cn(CCNC(=O)NC2CCOCC2)c(=O)nc1O 1426723725 OTLGFVOBTTUUBE-UHFFFAOYSA-N 307.310 -0.701 30 20 DBED COC(=O)NCC(=O)N[C@H](C)CN(C)C(=O)c1cc(C#N)c[nH]1 1427523320 RUEJCTBNLAROQI-SECBINFHSA-N 321.337 -0.181 30 20 DBED C[C@H](C#N)C(=O)NCCN(C)C(=O)CNC(=O)c1ccccn1 1431481887 PIQPDZOIOUWYDB-LLVKDONJSA-N 317.349 -0.454 30 20 DBED N#Cc1ccccc1CNC[C@H](O)CNC(=O)[C@H]1COCCO1 1445164087 SHQAIFMJJRCNDQ-LSDHHAIUSA-N 319.361 -0.460 30 20 DBED CC1=NS(=O)(=O)N(C)C=C1C(=O)N1CC[C@@](O)(CC#N)C1 1452242711 GDCHIMUCULGKFJ-LBPRGKRZSA-N 312.351 -0.602 30 20 DBED N#CCOc1ccc(CN2C[C@@H](C(N)=O)[C@@H](C(N)=O)C2)cc1 1473642304 JBSXKNYFELFKDS-BETUJISGSA-N 302.334 -0.392 30 20 DBED C=CCCC(=O)N1CC[C@H](NC(=O)c2nnc(O)nc2O)[C@H]1C 1488121423 PFQCYRGUZOHKSD-BDAKNGLRSA-N 321.337 -0.032 30 20 DBED C=C(Cl)CN1CC(O)(CNC(=O)[C@H]2CN(CC)CCO2)C1 1500980012 AAIZZLRKFOBMFI-GFCCVEGCSA-N 317.817 -0.378 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)C1(c2ccccn2)CC1 1533258216 OGLVXNFVWNLYCM-NWDGAFQWSA-N 316.361 -0.134 30 20 DBED N#Cc1ncccc1S(=O)(=O)N1C[C@H]2COC[C@@]2(C(=O)O)C1 1574493496 MOEUDDYBGQIPPM-ZANVPECISA-N 323.330 -0.325 30 20 DBED COC[C@]1(C)CN(c2cnc(C#N)c(-c3nn[nH]n3)n2)CCO1 1579740792 VQVKQWXWTBZDEB-ZDUSSCGKSA-N 316.325 -0.230 30 20 DBED C#CCN(CC(=O)O)C(=O)c1oc(S(N)(=O)=O)cc1C 1588418383 CZKRUJJAKVPTDJ-UHFFFAOYSA-N 300.292 -0.605 30 20 DBED C=CCCn1cc(CNS(=O)(=O)C[C@H](C)C(=O)O)nn1 1588819744 BDEUDOVWTTZZQP-VIFPVBQESA-N 302.356 -0.006 30 20 DBED C=CCOC[C@@H](NS(=O)(=O)N(C)[C@@H](C)CC#N)C(=O)O 1588866359 MQFOTNAPHAOMII-VHSXEESVSA-N 305.356 -0.289 30 20 DBED C[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O)n1cnc(C#N)n1 1589422731 AWLQMGVBUXBHEE-APPZFPTMSA-N 303.282 -0.754 30 20 DBED CN(C[C@@H]1CCN1CC#N)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 1591063854 VXUGUABLORNSJA-VIFPVBQESA-N 300.326 -0.135 30 20 DBED COC(=O)CN(CC#N)C(=O)c1ccc(-c2nn[nH]n2)c(O)c1 1591267058 IOKKUXUPGLLNAM-UHFFFAOYSA-N 316.277 -0.289 30 20 DBED Cc1nc(C(=O)N[C@H]2CCCN(O)C2=O)ccc1-c1nn[nH]n1 1592348369 CSENOWRAFMOEJP-JTQLQIEISA-N 317.309 -0.320 30 20 DBED CO[C@@H](CS(=O)(=O)N(CC#N)CC(=O)O)C1CCOCC1 1599056637 DMVSZRUZOFSCGQ-NSHDSACASA-N 320.367 -0.332 30 20 DBED N#Cc1cccc([C@H](OC(=O)CN2CC(=O)NC2=O)C(=O)O)c1 1601117859 OXCJPCMKHHXWLC-LBPRGKRZSA-N 317.257 -0.221 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N1CC[C@@](C)(C(=O)O)C1 1602683990 WWEMJRSXKDQTAF-XHDPSFHLSA-N 310.350 -0.146 30 20 DBED C#CCN(CC(=O)O)c1nnc(C[C@H]2SCCNC2=O)n1C 1602700616 BETJSZLEVOYHJV-SECBINFHSA-N 323.378 -0.887 30 20 DBED N#CCN1CCOC[C@H]1CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 1606350452 WFJXNOSMBYAXKC-SNVBAGLBSA-N 316.325 -0.851 30 20 DBED CC(C)[C@@](C)(C#N)NC(=O)CN1CCN(C)C[C@H](C(=O)O)C1 1609684069 QKFMEJWMYKGJPX-SWLSCSKDSA-N 310.398 -0.011 30 20 DBED CCn1c([C@H]2SCCNC2=O)nnc1N1CCO[C@H](C#N)C1 1647719598 ZEKKTBXJVFURJQ-NXEZZACHSA-N 322.394 -0.069 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@H]1C[C@H](NC(=O)c2cnn(CC)n2)C1 1752649823 BTZDRKGJRUDNEN-IJLUTSLNSA-N 320.397 -0.161 30 20 DBED C=CCNC(=O)[C@H](C)NC[C@@H]1CCN(C(=O)CNC(=O)CC)C1 1752932734 ROYIFXNYOGCAFH-STQMWFEESA-N 324.425 -0.359 30 20 DBED C[C@@H](OCC1CC1)C(=O)NC[C@@H]1CCN(CC(=O)NCC#N)C1 1753122813 NELJIIDVCKFJSK-OCCSQVGLSA-N 322.409 -0.121 30 20 DBED C=CCN1CC[C@@H](N[C@H](CC)CNC(=O)c2cnon2)C1=O 1753491366 RXWCMZBSGSGTMX-GHMZBOCLSA-N 307.354 -0.046 30 20 DBED C#CCCN[C@H]1CCN(C(=O)CCNC(=O)COC)C[C@H]1C 1753755857 WXXNOTMZDKYNBF-KGLIPLIRSA-N 309.410 -0.011 30 20 DBED C=CCN1CC[C@]2(CCN(C(=O)CN(C)S(C)(=O)=O)C2)C1 1754564554 GPRXMPBRDJUPJE-AWEZNQCLSA-N 315.439 -0.012 30 20 DBED C#CCNC(=O)[C@H](C)N1CC(N(C)C(=O)[C@@H]2CCCCO2)C1 1754573703 VFZCNKYPPPFLGX-JSGCOSHPSA-N 307.394 -0.164 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@]1(C)CCN(CC(=O)NCC=C)C1 1754669863 HJKWJHYCNKBIPP-CJNGLKHVSA-N 307.394 -0.093 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(NCCCO)CCOCC1 1754738164 NEPGGOXQRYALSY-AWEZNQCLSA-N 300.399 -0.049 30 20 DBED COCC#CCNCC1(O)CCN(C(=O)c2cnco2)CC1 1755151443 FRVORTALOZXTDX-UHFFFAOYSA-N 307.350 -0.119 30 20 DBED C#CCN[C@H]1CN(C(=O)CNS(=O)(=O)CC)CC1(C)C 1755757860 SCHFMSAYKIOVRW-NSHDSACASA-N 301.412 -0.615 30 20 DBED COCC#CCN(C)C[C@@H](O)CN(C)C(=O)[C@H](C)n1cncn1 1755799247 KEYUNPWAZUAKQX-UONOGXRCSA-N 323.397 -0.760 30 20 DBED C#CCCCC(=O)NC[C@@H](CO)NC(=O)c1c(C)ncnc1O 1756516265 YPOZLFUNTDENFP-NSHDSACASA-N 320.349 -0.499 30 20 DBED C=CCOCC(=O)N[C@@]12CCC[C@@H]1N(C(=O)CNC(N)=O)CC2 1756608034 LAWBFUSPWCTDSF-XHDPSFHLSA-N 324.381 -0.503 30 20 DBED CC#CCCCC(=O)NC1CC(N(C)C(=O)Cn2ncnn2)C1 1756740588 LNSRCAWXFKXCSI-UHFFFAOYSA-N 318.381 -0.028 30 20 DBED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)C3(C(=O)OC)CC3)C2)C1 1783219195 RTBWPFLFCHBPLA-HNNXBMFYSA-N 320.345 -0.597 30 20 DBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc[nH]n3)C2)C1 1839806307 JRNRXUGCLARHSW-OAHLLOKOSA-N 318.333 -0.887 30 20 DBED CC(=O)NCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C#CC1CC1 1847746547 IIEJRUQOXSXQLG-KBPBESRZSA-N 303.362 -0.262 30 20 DBED C=CCN(CC(=O)NC[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 121164672 FADQPRDLWMCGPJ-OLZOCXBDSA-N 316.423 -0.043 30 20 DBED COCCCN(CCOC)C(=O)NCCn1cnc(C#N)n1 287815361 JLQUIEQIPWAYHD-UHFFFAOYSA-N 310.358 -0.156 30 20 DBED C#CCNC(=O)CCN1CCN(Cc2noc(CC)n2)CC1 293743903 HWSYDZXDRHQKME-UHFFFAOYSA-N 305.382 -0.111 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2CCC[C@@](C)(O)C2)C1=O 297971001 VZTILEYNWNSEIP-MLGOLLRUSA-N 323.393 -0.395 30 20 DBED COc1nccc(N=C(O)N2CC[C@]3(C2)N=C(O)N(C)C3=O)n1 328736807 JXUOAFPDWRUUBV-CYBMUJFWSA-N 320.309 -0.139 30 20 DBED O/C(=N/C[C@@H]1COCCO1)N1CCO[C@@H](Cn2cccn2)C1 329447498 MEYNKYPAQWMDKI-CHWSQXEVSA-N 310.354 -0.087 30 20 DBED C[C@@H]1CN(C(=O)CNc2ccc(C#N)cn2)CCS(=O)(=O)C1 330340598 YCXVZLPRWPKQRS-LLVKDONJSA-N 322.390 0.258 30 20 DBED N#CCCNC(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1 331210095 QYJHQRQIXGGULW-ZDUSSCGKSA-N 308.382 -0.270 30 20 DBED CC(C)S(=O)(=O)CCCN(CC#N)S(=O)(=O)N(C)C 332459475 IOPXTUSFZYNJSP-UHFFFAOYSA-N 311.429 -0.168 30 20 DBED N#Cc1ccc(NCC(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)cc1 332569479 VVLDBRNVHXRILZ-GFCCVEGCSA-N 313.317 -0.267 30 20 DBED N#C[C@H]1CN(S(=O)(=O)N[C@H](CCO)c2ccco2)CCO1 336947573 PKWDPZQXJYOWCT-WDEREUQCSA-N 315.351 -0.238 30 20 DBED CC1(C)CN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CC[C@H]1O 337197038 WUNFYDFIRKGUFY-WDEREUQCSA-N 303.384 -0.452 30 20 DBED COC(=O)[C@@H]1CN(S(=O)(=O)N(C)[C@H](C)CC#N)C[C@@H](C)O1 337985981 MZZRXTCVFYFUHK-MXWKQRLJSA-N 319.383 -0.273 30 20 DBED C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)CC(=O)NCC#N 343064311 QQHXOCNIZSXONQ-SNVBAGLBSA-N 310.379 -0.033 30 20 DBED N#Cc1cnc(C(=O)N2CCN(C(=O)CO)CC2)c(Cl)c1 345096480 BAJKQIMOAPSEBR-UHFFFAOYSA-N 308.725 -0.117 30 20 DBED C[C@H]1CCN(S(=O)(=O)CCCS(=O)(=O)N[C@@H](C)C#N)C1 349499392 FFSQGJWECMMFGO-QWRGUYRKSA-N 323.440 -0.120 30 20 DBED COC(=O)[C@@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)[C@H](C)O 353855023 AGDLHSWNPHVZLF-ZANVPECISA-N 319.317 -0.673 30 20 DBED N#CCNC(=O)CNC(=O)N1CC[C@@H](Oc2ccncc2)C1 358268061 BAGNKUNPNZPZSB-GFCCVEGCSA-N 303.322 -0.116 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@H](C)[C@@H](CN)C2)C1=O 424012562 JTCDWYOZPVLPIG-QWRGUYRKSA-N 322.365 -0.594 30 20 DBED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CNC(=O)C2)cc1 490933645 FPJRPTWIJNRTLQ-NSHDSACASA-N 321.358 -0.784 30 20 DBED C#CCNC(=O)CN1CCN(C[C@](C)(O)C(F)(F)F)CC1 491141842 BUIUMJHYROMCTN-LBPRGKRZSA-N 307.316 -0.333 30 20 DBED C[C@@H](C(=O)NC1(C#N)CCC1)N1CCN2C(=O)NC(=O)[C@@H]2C1 527297731 HXCUMDFWSKRBGF-UWVGGRQHSA-N 305.338 -0.827 30 20 DBED Cn1c(=O)c2ccn(CC(=O)NCC3(C#N)CC3)c2n(C)c1=O 555861900 JRUBQPDBLAPJNV-UHFFFAOYSA-N 315.333 -0.541 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCO[C@H](C(=O)O)C1 570284350 HAAVDWGZJYGCOL-UWVGGRQHSA-N 305.356 -0.502 30 20 DBED COc1ccc(NC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)cn1 592304902 XNBNBAZCMAVNKY-AWEZNQCLSA-N 304.306 -0.094 30 20 DBED CN(C)C(=O)CNC(=O)C(=O)NCCc1ccc(C#N)cc1 595078782 FIUBFXRNVNUFCC-UHFFFAOYSA-N 302.334 -0.579 30 20 DBED N#Cc1ccc(S(=O)(=O)CCNCCN2CC[C@@H](O)C2)nc1 600757192 KYLLDOAXMLMUQY-CYBMUJFWSA-N 324.406 -0.617 30 20 DBED Cn1cc(S(N)(=O)=O)cc1C(=O)N[C@@]1(C#N)CCSC1 603887929 OBALHGVCWSIWMY-LLVKDONJSA-N 314.392 -0.198 30 20 DBED C=CCCn1cc(C(=O)N(CCN(C)C)CC(=O)N(C)C)nn1 618300621 YTRHOSNCXDFAIW-UHFFFAOYSA-N 322.413 -0.054 30 20 DBED C=CCN1CC[C@H](N(C)C[C@H](O)CC2(O)CCOCC2)C1=O 639623757 TUMLJXNMSKRDRO-KGLIPLIRSA-N 312.410 -0.002 30 20 DBED N#Cc1ccc([C@H](C(=O)O)N2CC[C@@]3(C2)NC(=O)NC3=O)cc1 739103633 CDSPHROITIEGNK-ABAIWWIYSA-N 314.301 -0.032 30 20 DBED C#Cc1cccc(NC(=O)CNC(=O)CN(C)C(=O)COC)c1 758533453 WAFPHBKIVLUTHC-UHFFFAOYSA-N 317.345 -0.173 30 20 DBED CCN(C[C@@H](C)C#N)C(=O)COC(=O)CN(C)C(=O)COC 758800012 YYDCCFKSVQAZEU-NSHDSACASA-N 313.354 -0.357 30 20 DBED CN(C(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C1CC(O)C1 760054062 ZKDIOJHEAUERME-UHFFFAOYSA-N 323.374 -0.293 30 20 DBED CC(CC1CC1)=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 771892229 YZPZRKFFAHRSRQ-UHFFFAOYSA-N 314.367 -0.462 30 20 DBED CS(=O)(=O)N1CCN(CC(=O)O[C@H](C#N)C2CC2)CC1 778658314 LYXYWGNCIZNDDV-LLVKDONJSA-N 301.368 -0.591 30 20 DBED CNS(=O)(=O)CCC(=O)OCC(=O)N[C@](C)(C#N)C(C)C 783190315 JPTMXSQOHJUPFE-GFCCVEGCSA-N 319.383 -0.477 30 20 DBED C=CCNC(=O)[C@@H](C#N)C(=O)CS(=O)(=O)N(CC)CC 784830673 AWSWRHDVFNHVGO-JTQLQIEISA-N 301.368 -0.331 30 20 DBED C#CCCS(=O)(=O)NC(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 791111642 VZICDIWVENJKQK-CABZTGNLSA-N 316.404 -0.090 30 20 DBED C#CCCCS(=O)(=O)N1CCN(CC(=O)NC(C)C)CC1 804940592 WESLWENNXHNJLO-UHFFFAOYSA-N 315.439 -0.128 30 20 DBED C=CCCn1cc(C(=O)NCCS(=O)(=O)NCC)nn1 819264169 MZZIOFDYPRKERM-UHFFFAOYSA-N 301.372 -0.477 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)CCn2cccc2)CC1 831565557 VSIDDCRBKACUOI-UHFFFAOYSA-N 324.406 -0.510 30 20 DBED C#CCN1CCN(Cn2nc(C(=O)O)cc2C(=O)OC)CC1 833364658 RUHWYJHVGGEUJC-UHFFFAOYSA-N 306.322 -0.424 30 20 DBED C#CCN1CCN(S(=O)(=O)c2ccc(C(=O)O)nc2)CC1 833364868 TUYJYPQTDNVBEP-UHFFFAOYSA-N 309.347 -0.281 30 20 DBED C=CCONC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 838703187 BFKNCUSPZCRHAD-UHFFFAOYSA-N 310.354 -0.420 30 20 DBED CC1=C(C(=O)N2CC[C@](O)(CC#N)C2)Cn2nnnc2N1C 844018262 KWOBFLKKMZTVDM-CYBMUJFWSA-N 303.326 -0.726 30 20 DBED C#CC[C@@H](CO)NC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2s1 854550317 VJANMQWEDITEHC-QMMMGPOBSA-N 321.358 -0.587 30 20 DBED C#CCONC(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1 855603006 JALFVHLTIDMMRJ-CYBMUJFWSA-N 309.366 -0.619 30 20 DBED CCOC(=O)CON=C(C(=O)NC1([C@H](C)O)CC1)c1cc[nH]n1 856127471 BOXNZGZPJLDWQJ-VIFPVBQESA-N 324.337 -0.277 30 20 DBED C#CC[C@H](CCOC)NC(=O)NCCn1cc(C(=O)OC)nn1 858434791 PVSPFWUKGXXSPA-LLVKDONJSA-N 323.353 -0.208 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@@H](CC)NC(C)=O)CC1 865177441 CCJLPZPIZFSFJF-CQSZACIVSA-N 322.409 -0.815 30 20 DBED C=C(Cl)C[C@@H](N)C(=O)NCCC(=O)N1CCN(C)CC1 876720955 DQCDEZSKLUBDMA-LLVKDONJSA-N 302.806 -0.263 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1CCC(C(=O)NOC)CC1 879923870 YNVNLCVHVNGKHT-JTQLQIEISA-N 312.370 -0.224 30 20 DBED C#CCN1CCC[C@H](NC(=O)NC[C@H]2CCCS2(=O)=O)C1 884226641 XULUOKNPBYGOKN-QWHCGFSZSA-N 313.423 -0.040 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N1C[C@H]2CC[C@H]1[C@@H](O)C2 898141376 ZYXZGQAOCGLIFG-XUXIUFHCSA-N 308.378 -0.097 30 20 DBED CN(C)CC#CCNC(=O)[C@H]1CNC(=O)C[C@H]1C(F)(F)F 913525414 WJJJCMJWWUHSEQ-VHSXEESVSA-N 305.300 -0.018 30 20 DBED CC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)CSCC#N)CC1 915386027 ASUCRQJAAYXMIA-SNVBAGLBSA-N 313.379 -0.134 30 20 DBED C[C@@H](C(=O)N[C@H]1CCN(C(=O)C#CC2CC2)C1)N1CCOCC1 938251239 ZDTBWEHNDVOXKT-ZFWWWQNUSA-N 319.405 -0.162 30 20 DBED C[C@H](C#N)C(=O)N1CCCN(C(=O)CCN2CCOCC2)CC1 941622132 KEBTYVFKOOMACL-CQSZACIVSA-N 322.409 -0.071 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H]1CNC(=O)C1CS(=O)(=O)C1 944249834 RZTYFUSDUQMMQQ-MWLCHTKSSA-N 313.379 -0.702 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@H](CNC(=O)c2cnc(O)n2C)C1 944704979 UQRWXOPYBNPNNC-NXEZZACHSA-N 321.337 -0.757 30 20 DBED C#CCN1CCOC2(CCN(C(=O)[C@]3(C)CNC(=O)C3)CC2)C1 949423731 MLRLACWBOYGDLI-INIZCTEOSA-N 319.405 -0.161 30 20 DBED C[C@H](C#N)C(=O)N1CCC(N(C)C(=O)[C@H]2COCCN2C)CC1 953882376 TYFRDXNTWVEHAW-TZMCWYRMSA-N 322.409 -0.074 30 20 DBED C[C@H](C#N)C(=O)N1CCCC[C@@]2(CCN(C(=O)C(N)=O)C2)C1 956566131 VEWSVAVZGFYDDP-IAQYHMDHSA-N 306.366 -0.137 30 20 DBED C=C(Cl)CN1CCN(C(=O)CC[C@H]2NC(=O)NC2=O)CC1 957586194 HRIVJMPGZYXMLQ-SNVBAGLBSA-N 314.773 -0.129 30 20 DBED C=CCN1C[C@H](CNC(=O)c2cccn3c(O)nnc23)[C@@H](O)C1 958587312 HZBHGKCYLZNBBQ-JQWIXIFHSA-N 317.349 -0.357 30 20 DBED CN(C)c1ncccc1C(=O)NC[C@@H]1CN(CC#N)C[C@@H]1O 958677599 RMRNTEWOAHGTTP-YPMHNXCESA-N 303.366 -0.306 30 20 DBED C#CCN1CCC(C(=O)NC[C@@H]2CN(CC#N)C[C@@H]2O)CC1 958723955 KWOMQIGZBXXTHL-CABCVRRESA-N 304.394 -0.736 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cnn(C)n1 960633581 DDIWBYYBCOXRPG-ZMLRMANQSA-N 318.337 -0.973 30 20 DBED Cc1nc[nH]c1C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H](C)C#N 960878008 IWSNYABAWRESCM-ADEWGFFLSA-N 317.349 -0.070 30 20 DBED O=C(N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O)C1CCOCC1 961121483 COIAWNJDSPJMDA-KGLIPLIRSA-N 306.362 -0.486 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CN(C(=O)CO[C@@H]3CCOC3)C[C@H]2C1 961572887 WSRAWHMULHQYSY-YIYPIFLZSA-N 321.377 -0.132 30 20 DBED CN1CC[C@@H](C(=O)NC[C@@H]2COCCN2C(=O)C#CC2CC2)C1 964194621 YLVFFQJVERXNEX-HUUCEWRRSA-N 319.405 -0.305 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC2(CC[C@@H](CNC(C)=O)O2)C1 965506086 XFHNZJHOCDQJBD-GJZGRUSLSA-N 319.405 -0.020 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(C[C@@H](NC(=O)c3cnn[nH]3)CO2)C1 965744781 SQTHKQDYOZXQSM-DTWKUNHWSA-N 304.310 -0.936 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(C[C@@H](NC(=O)c3cnco3)CO2)C1 965760142 WCWPCHYCUDGXBV-VHSXEESVSA-N 304.306 -0.066 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)C2(C)CC2)C1 965919662 AIODUWTVVSCQGG-RDBSUJKOSA-N 319.405 -0.428 30 20 DBED CCN(C(=O)[C@H]1CCN(C)C1=O)C1CN(C(=O)[C@H](C)C#N)C1 968258436 BCFAQMRZHZCWPW-PWSUYJOCSA-N 306.366 -0.316 30 20 DBED N#CCN[C@@H]1CCN(C(=O)Cn2nnc(-c3ccco3)n2)C1 969169459 CRKSCZZZBQKPTD-SNVBAGLBSA-N 301.310 -0.353 30 20 DBED C=C(C)CN[C@@H]1CCN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 970288308 XTZVCWLNQVBFIN-LLVKDONJSA-N 316.365 -0.162 30 20 DBED CNC(=O)[C@@H](C)N1CCO[C@]2(CCN(C(=O)C#CC3CC3)C2)C1 972381036 LUADRPOVIMDIQS-CXAGYDPISA-N 319.405 -0.162 30 20 DBED Cn1c(O)ncc(C(=O)N[C@H]2CCC[C@@H](NCC#N)C2)c1=O 981267824 IFIDJEYCEXPSEB-ZJUUUORDSA-N 305.338 -0.360 30 20 DBED C=CCN1CC[C@@]2(NC(=O)Cn3cnc(C(N)=O)n3)CCC[C@H]12 990767138 XHNHRIXRYDCWQY-NHYWBVRUSA-N 318.381 -0.324 30 20 DBED O=C(CN1CCCC1)N[C@@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1O 991505395 QBCRPDZOCGGHSA-CABCVRRESA-N 319.405 -0.426 30 20 DBED C#CCN1CCC[C@@H](NC(=O)c2nccnc2C(N)=O)[C@H]1C 994380261 WOSJNYHALWTMIE-GHMZBOCLSA-N 301.350 -0.209 30 20 DBED CC1(C)CC(=O)N(CC(=O)N2CCC[C@@H](NCC#N)C2)C1=O 999155636 ZCNFGYQNKKSZIT-LLVKDONJSA-N 306.366 -0.124 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC(NCc2nnn(C)n2)C1 999427425 JOEDYPPISDLYPN-TUUUFIMRSA-N 320.397 -0.120 30 20 DBED CC(=O)N1CC[C@@H](C(=O)NCC2CN(C(=O)C#CC3CC3)C2)C1 1003639948 CHIFTDBBJJHTEL-OAHLLOKOSA-N 317.389 -0.157 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](CNC(=O)c3cnn(C)c3N)[C@H]2C1 1008964312 FOYFMWPKLQEZNY-FSZOTQKASA-N 316.365 -0.404 30 20 DBED C[C@H]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)CN1C(=O)CC(N)=O 1012409137 UVSRADUPLOOPBT-WPRPVWTQSA-N 303.322 -0.519 30 20 DBED CCn1cc(CC(=O)NC2[C@@H]3CN(C(=O)[C@@H](C)C#N)C[C@@H]23)nn1 1013566200 AXULWZZSUKZLKT-MVWJERBFSA-N 316.365 -0.427 30 20 DBED C=C(Cl)CN1CC[C@H](NC(=O)[C@H]2CCN(C)S2(=O)=O)C1 1015825521 LKTUMBKVTLINMO-WDEREUQCSA-N 321.830 -0.037 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(C1)CN(C(=O)[C@H]1COCCO1)C2 1018810838 JOKZOWNQFKPPIQ-NWDGAFQWSA-N 307.350 -0.378 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)CC(N)=O)[C@H]1C 1020136359 LFCJYDJXGKMDOR-ASHKBJFXSA-N 323.393 -0.051 30 20 DBED C#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)C2CS(=O)(=O)C2)C1 1021597685 PYSNFEZKKFGQIF-GXTWGEPZSA-N 310.419 -0.023 30 20 DBED C=C1CC(C)(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CCNC3=O)C2)C1 1025007762 IYXPHOIKNYZLPA-QJPTWQEYSA-N 321.377 -0.833 30 20 DBED C#CCN[C@@H]1CC[C@H]2CN(C(=O)c3cn(C)c(=O)cn3)C[C@@H]21 1026318564 YIXUXOVVQIFNCU-RWMBFGLXSA-N 300.362 -0.146 30 20 DBED CN(CC#N)[C@@H]1CCCN(C(=O)CCn2cc[nH]c(=O)c2=O)C1 1027618992 VNYTUZQANMZRPO-GFCCVEGCSA-N 319.365 -0.627 30 20 DBED C#CCN1CCC[C@H]1CNC(=O)c1nc(O)nc(O)c1OC 1028257970 JXTCOBFJWVESSM-VIFPVBQESA-N 306.322 -0.276 30 20 DBED C#CCN1CC[C@H](CNC(=O)C2CC3(C2)NC(=O)NC3=O)C1 1028863883 FZMPNOQSONGOOH-RWWNRMGGSA-N 304.350 -0.954 30 20 DBED C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)C1CC2(C1)NC(=O)NC2=O 1032679651 ZVVURFRBENCHBH-SLMGRZLQSA-N 316.361 -0.717 30 20 DBED Cc1ccc(=O)n(CC(=O)N2CC[C@H](NCC#N)[C@@H](C)C2)n1 1036264829 LNMLUSSYFQEFEE-AAEUAGOBSA-N 303.366 -0.098 30 20 DBED C#CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)CN1C(=O)NC(C)(C)C1=O 1037700656 DHNFRSJXKGPYAF-JFGNBEQYSA-N 304.350 -0.861 30 20 DBED C=C(C)CN1C[C@H]2C[C@H]1[C@H]2NC(=O)c1cn(C)c(=O)nc1O 1037716111 LCJKPUIXXNSOEL-USWWRNFRSA-N 304.350 -0.136 30 20 DBED C#CCCN1CC[C@@H]1CNC(=O)[C@@H]1CCc2nnnn2CC1 1038723492 NFEYFFFOWLPZDD-CHWSQXEVSA-N 302.382 -0.161 30 20 DBED COCCOCC(=O)N1CC[C@](O)(CNC(=O)C#CC2CC2)C1 1039677250 GNJLWHMBCDWWIC-INIZCTEOSA-N 324.377 -0.858 30 20 DBED C=CC(C)(C)C(=O)NC[C@@]1(O)CCN(C(=O)CNC(C)=O)C1 1040485580 MBFARDWMIBRFCK-HNNXBMFYSA-N 311.382 -0.586 30 20 DBED Cc1ccc(C#N)c(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCOC3)C2)n1 1040939886 YRXMWYKRTLEVCZ-MGPQQGTHSA-N 316.361 -0.036 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)Cc2cnc[nH]2)C1 1041035732 LQTQLBFRWUGQLY-HZMBPMFUSA-N 305.338 -0.809 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(O)(CNC(=O)COC)C1 1041166776 UWKMKQXQQLTYTN-NEPJUHHUSA-N 312.366 -0.697 30 20 DBED CO[C@H](C)C(=O)N1CCCO[C@H](CN=c2cc[nH]c(C#N)n2)C1 1041488005 YIGLMODXVASUOI-VXGBXAGGSA-N 319.365 -0.166 30 20 DBED CS[C@H](C)C(=O)NCC1(O)CN(C(=O)c2cc(C#N)c[nH]2)C1 1041620380 UMKSNRYNZPFCFL-SECBINFHSA-N 322.390 -0.059 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(O)CN(C(=O)c2n[nH]cc2C)C1 1042806840 LBKYEANOSRHZCA-AWEZNQCLSA-N 322.365 -0.652 30 20 DBED CO[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1NC(=O)c1cnon1 1042876419 DSMFQKYEOFTHQS-CHWSQXEVSA-N 314.305 -0.030 30 20 DBED CO[C@@H]1CN(c2nccnc2C#N)C[C@H]1NC(=O)c1cnon1 1042877014 NSKNDDMBIGBWQF-GHMZBOCLSA-N 315.293 -0.635 30 20 DBED C[C@H]1OCCC[C@H]1C(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042959008 SKHXUVJPEXZPJV-TZMCWYRMSA-N 320.389 -0.096 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CO[C@H](C)C2)C1 1043632691 MFIUJRYAHBGWTL-OLZOCXBDSA-N 324.377 -0.859 30 20 DBED Cc1cc(N2C[C@H](O)[C@H](NC(=O)c3cn[nH]c3)C2)c(C#N)cn1 1043844107 AIXPHJHAVOCBJL-OCCSQVGLSA-N 312.333 -0.036 30 20 DBED Cn1nccc1C(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1043863771 FKRDSGNBPPYKCF-PWSUYJOCSA-N 313.321 -0.939 30 20 DBED Cc1cc(C(=O)NCC2(O)CN(C(=O)[C@H](C)C#N)C2)nc(C)n1 1043882234 GDSQYUXEISYQKT-SECBINFHSA-N 317.349 -0.444 30 20 DBED Cc1[nH]ccc1C(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1043882967 GSOVPIPFGMCLOY-OLZOCXBDSA-N 312.333 -0.036 30 20 DBED C=C[C@H](C)[C@H](C)C(=O)N1CC(O)(CNC(=O)c2cnn(C)n2)C1 1043891246 SALQOWPZXAEAIA-QWRGUYRKSA-N 321.381 -0.424 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(c3ncccn3)C[C@@H]2O)cn1 1044078005 SVIQWSGIJCHFPK-KGLIPLIRSA-N 309.329 -0.168 30 20 DBED CC#CCN1CC(N(C)C(=O)Cc2c(C)nc(O)nc2O)C1 1044087666 ZWIBUMSNESNWHM-UHFFFAOYSA-N 304.350 -0.095 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)c2cn(C)nc2OC)C1 1044383815 SGJCCCLFRQTKJQ-UHFFFAOYSA-N 322.365 -0.302 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)C[C@H](C)n2cccn2)C1 1045553004 ZCZTWDZVWWPJIE-RYUDHWBXSA-N 319.365 -0.317 30 20 DBED Cn1cnc(C(=O)NC[C@H]2CC3(CCN(CC#N)CC3)CO2)n1 1045668018 XWGHBHWEHJFJBH-GFCCVEGCSA-N 318.381 -0.060 30 20 DBED C#CCN1[C@H]2CC[C@H]1CN(C(=O)Cn1cnc(C(N)=O)n1)CC2 1045780644 GVJHZGNFXLBAFY-RYUDHWBXSA-N 316.365 -0.925 30 20 DBED C=CCCOCC(=O)N1CC(O)(CNC(=O)c2ccnnc2)C1 1047131705 WLUJENZUSKZJKB-UHFFFAOYSA-N 320.349 -0.628 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)[C@H]1CN(CCCF)C[C@@H]1O 1047415439 YAXNQZJBPQJXDW-KKUMJFAQSA-N 311.401 -0.053 30 20 DBED CN(C(=O)[C@@H]1CCc2cncn2C1)[C@H]1CN(CC#N)C[C@@H]1O 1047435737 NWQNIPABVFTIPU-XBFCOCLRSA-N 303.366 -0.527 30 20 DBED C=CCOCC(=O)N(C)[C@H]1CN(C(=O)[C@@H](F)CC)C[C@@H]1O 1048558332 QHZHLDAKWVRBIC-SRVKXCTJSA-N 302.346 -0.033 30 20 DBED C#CCCN1C[C@H]2CN(C(=O)[C@H]3CN(C(C)=O)CCO3)C[C@H]2C1 1049197776 RERJDJHJHLUSTO-OWCLPIDISA-N 319.405 -0.353 30 20 DBED N#Cc1nccnc1N1CC[C@@H]2CN(C(=O)CC(N)=O)C[C@@H]2C1 1049269323 DEVKFAJOBPUYCZ-MNOVXSKESA-N 314.349 -0.492 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)c2ccc(O)nc2)C[C@@H]1O 1049402505 SUFHABZOTLSOAH-USWWRNFRSA-N 318.333 -0.409 30 20 DBED CN1CC[C@H](C(=O)N2CC[C@H](N3CCN(CC#N)CC3)C2)C1 1052117027 DKVJVYVZZNWGEF-GJZGRUSLSA-N 305.426 -0.320 30 20 DBED C#CCOCCC(=O)NC[C@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1C 1053161965 SXCQGYDDSVMITN-RYUDHWBXSA-N 319.365 -0.331 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)C[C@H]1COC(=O)C1)CCO2 1053221673 RQCYEBXRAPCMON-CYBMUJFWSA-N 306.362 -0.124 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)c1ccc(=O)n(C)c1)CCO2 1053327517 MGLSMEAYTACZAV-UHFFFAOYSA-N 315.373 -0.065 30 20 DBED C=CCN1CC2(C[C@H](NC(=O)[C@H]3CCCN(C(N)=O)C3)CO2)C1 1053864453 AMBDDCLRFSCKGE-STQMWFEESA-N 322.409 -0.077 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)[C@H]3CCS(=O)(=O)C3)CO2)C1 1053864876 LXMPKWGMYMJDJS-RYUDHWBXSA-N 312.391 -0.986 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)c3cc(OC)n(C)n3)CO2)C1 1053865954 NTGYOADJBVEJPF-LLVKDONJSA-N 304.350 -0.365 30 20 DBED CC(=O)N1CC[C@@](C)(C(=O)N[C@@H]2COC3(C2)CN(CC#N)C3)C1 1053976867 JCFBREKXCIFJTA-DZGCQCFKSA-N 320.393 -0.272 30 20 DBED N#Cc1nc(=N[C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)C(N)=O)C3)cc[nH]1 1054839369 HSDDASALPCRTRG-AEJSXWLSSA-N 300.322 -0.953 30 20 DBED O=C(C#CC1CC1)N[C@@]1(CO)CCCN(C(=O)c2ncc[nH]2)C1 1055938826 LRKZFLABDJXEME-INIZCTEOSA-N 316.361 -0.094 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@](CO)(NC(=O)Cc2cnoc2)C1 1056067514 UCARPFJGHOTURG-NHYWBVRUSA-N 320.349 -0.154 30 20 DBED C[C@@H](C#N)C(=O)N[C@]1(CO)CCCN(C(=O)c2cn[nH]c2)C1 1056093110 HBPIMTDUNRFTSQ-IINYFYTJSA-N 305.338 -0.347 30 20 DBED N#Cc1ccc(N2C[C@H]3C(NC(=O)[C@@H]4COCCO4)[C@@H]3C2)nc1 1056135430 PIMBEYVPYUWWRN-UPJWGTAASA-N 314.345 -0.081 30 20 DBED N#Cc1ccc(N2C[C@H]3[C@H](NC(=O)[C@@H]4COC(=O)N4)[C@H]3C2)nn1 1056196012 XREMAJFVIKXQCS-MIZYBKAJSA-N 314.305 -0.993 30 20 DBED Cn1ccc(C(=O)NC2[C@@H]3CN(c4nccnc4C#N)C[C@@H]23)n1 1056224787 FHBLCQJTRMECAB-NXEZZACHSA-N 309.333 -0.054 30 20 DBED CN1CC[C@H](C(=O)N[C@H]2[C@@H]3CN(c4cnc(C#N)cn4)C[C@@H]32)C1 1056229266 XAEYIKCZCJVSJX-MUYACECFSA-N 312.377 -0.149 30 20 DBED N#Cc1cncc(N2C[C@H]3[C@H](NC(=O)c4cnnc(O)c4)[C@H]3C2)n1 1056334157 YIMMGURQXWNNMC-YABSGUDNSA-N 323.316 -0.292 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H]1CCN(C(=O)C[C@@H]2CCNC2=O)C1 1056716312 KYPSLNJSMJIHMV-WCQYABFASA-N 313.361 -0.086 30 20 DBED C[C@]1(C(=O)N2CC[C@@H](Nc3cncc(C#N)n3)C2)CNC(=O)C1 1056738557 IHVMFKNVIJXQIV-MEBBXXQBSA-N 314.349 -0.113 30 20 DBED Cc1cc(C#N)nc(N2CCC(N(C)C(=O)C(N)=O)CC2)n1 1058081033 OMIANALXHGFXEM-UHFFFAOYSA-N 302.338 -0.431 30 20 DBED N#Cc1cnc(N2CC[C@@H](NC(=O)CN3CCOCC3)C2)cn1 1058324234 BLAXVHVZNUNRIQ-GFCCVEGCSA-N 316.365 -0.625 30 20 DBED N#Cc1cccnc1N1CC[C@H](NC(=O)CN2CCOCC2)C1 1058324538 MRJFSKLKFOWPIH-AWEZNQCLSA-N 315.377 -0.020 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)[C@@H]1CC12CCOCC2 1058662880 AYJZHDNXPCEMJS-OLZOCXBDSA-N 323.393 -0.100 30 20 DBED C=C[C@@H](C)[C@@H](C)C(=O)NCCN(CCO)C(=O)Cn1cncn1 1058885203 GXHQGGAFFZWDJS-CHWSQXEVSA-N 323.397 -0.327 30 20 DBED CC(=O)N1CC(C(=O)N[C@H]2C[C@H](Nc3cncc(C#N)n3)C2)C1 1059199166 ZKZHIZWHLXXORD-HAQNSBGRSA-N 314.349 -0.114 30 20 DBED C=CCCC(=O)N1CC[C@H](CCNC(=O)Cn2ncnn2)C1 1059316658 XSQZZRGZSCVENK-LBPRGKRZSA-N 306.370 -0.006 30 20 DBED C=CCOCC(=O)N1CC[C@H](CCNC(=O)[C@@H]2CCNC2=O)C1 1059337616 MAQSKUIREUDKTN-STQMWFEESA-N 323.393 -0.320 30 20 DBED C=CCCC(=O)NC[C@H]1COCCN1C(=O)[C@H](COC)OC 1061410888 VCAKNVRVVAMXEG-STQMWFEESA-N 314.382 -0.042 30 20 DBED O=C(C#CC1CC1)NC[C@H]1COCCN1C(=O)[C@H]1CCOC1 1061569841 MZQFGCYNHLFFNP-KBPBESRZSA-N 306.362 -0.220 30 20 DBED Cc1ncc(C(=O)N2CCOC[C@H]2CNC(=O)[C@H](C)C#N)[nH]1 1061845775 LAWXFSPEIMSFEI-MWLCHTKSSA-N 305.338 -0.165 30 20 DBED CC(C)C#CC(=O)NCC1(NC(=O)Cn2ncnn2)CCC1 1062960261 FAWCNVVPXAITCC-UHFFFAOYSA-N 304.354 -0.512 30 20 DBED C[C@@]1(NC(=O)[C@H]2COC(=O)N2)CCN(c2ccc(C#N)nn2)C1 1065250976 MMJGFTYGCMUTSZ-QMTHXVAHSA-N 316.321 -0.458 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)CCn2cncn2)C1 1065557908 WURJBFIMZIVREU-NEPJUHHUSA-N 320.353 -0.829 30 20 DBED C#CCOCCC(=O)N1CCN([C@@H]2CCN(C(C)=O)C2)CC1 1065675299 POHOGXVNIPSJSW-OAHLLOKOSA-N 307.394 -0.209 30 20 DBED N#Cc1nccc(N2C[C@@H](O)[C@@H](CNC(=O)c3cc[nH]n3)C2)n1 1067651474 MESNGGNIZLGEOO-GXSJLCMTSA-N 313.321 -0.702 30 20 DBED C=CC(C)(C)C(=O)N1CC2(CN(C(=O)CNC(C)=O)CCO2)C1 1068280420 RDACVFZOFLSKAW-UHFFFAOYSA-N 323.393 -0.226 30 20 DBED C=CC(C)(C)C(=O)N1CC2(CC[C@H](CNC(=O)CC(N)=O)O2)C1 1068549489 YZHGRJOYWRFOKI-LLVKDONJSA-N 323.393 -0.050 30 20 DBED CCOCC(=O)N[C@H]1COC2(C1)CN(C(=O)C#CC1CC1)C2 1068674219 JCJOYYHSVXFAGA-CYBMUJFWSA-N 306.362 -0.078 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1COC2(C1)CN(C(=O)c1nc[nH]n1)C2 1069002676 HBUXQUIRXXRDFB-RKDXNWHRSA-N 304.310 -0.936 30 20 DBED N#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2ncccc2O)C1 1069913914 IIEPDACPGWXRGB-MNOVXSKESA-N 313.321 -0.442 30 20 DBED C#CCO[C@H](C)C(=O)NC1(CNC(=O)[C@@H](C)C#N)CCOCC1 1070118724 ZOFDPMBNEYEJIP-QWHCGFSZSA-N 321.377 -0.034 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)c2cn(C)cn2)CCOCC1 1070231444 WLQGCEZJBKPBKL-LLVKDONJSA-N 319.365 -0.025 30 20 DBED C=CCCO[C@@H](C)C(=O)N1CCC[C@@H](NC(=O)CC(N)=O)C1 1070518786 JGTXNTMYUMGOFA-NWDGAFQWSA-N 311.382 -0.050 30 20 DBED Cc1nn[nH]c1C(=O)N1C[C@@H](NCC#N)[C@H](c2cn(C)cn2)C1 1070520952 OJBMRGJZATVRPX-CMPLNLGQSA-N 314.353 -0.432 30 20 DBED C#CCCN1CCNC(=O)CCN(C(=O)CC2(O)CCC2)CC1 1070962380 QGJAGFHCTZUFHQ-UHFFFAOYSA-N 321.421 -0.035 30 20 DBED C#CCN[C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CNC(=O)N2)CC1 1071082377 WZERJICLJMQMAJ-MCIONIFRSA-N 320.393 -0.713 30 20 DBED C[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@@H]1NC(=O)C#CC1CC1 1072013547 FWOVZPFKQLGHEL-PWSUYJOCSA-N 301.350 -0.195 30 20 DBED CC(C)C#CC(=O)N1CC[C@H](NC(=O)c2nnn(C)n2)[C@@H](C)C1 1074109152 HUPCNCJNAJNPAB-RYUDHWBXSA-N 318.381 -0.164 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(O)(CNC(=O)C(C)(C)C(N)=O)CC1 1074706728 PIBXSNSTVHQILM-JTQLQIEISA-N 324.381 -0.873 30 20 DBED C#CCCCC(=O)NCC[C@H](C)NC(=O)[C@@H]1CC(=O)NC(=O)N1 1076296429 DLWWWRQDVMLGNT-QWRGUYRKSA-N 322.365 -0.601 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)C1 1077086478 WWEAWCIOTDGZBR-MGPQQGTHSA-N 321.421 -0.182 30 20 DBED Cn1ncnc1CNC[C@@H]1CN(C(=O)C#CC2CC2)CCCO1 1078398361 NNIRYCLICWAJRL-CQSZACIVSA-N 317.393 -0.064 30 20 DBED C=CCN[C@H]1C[C@H]2CC[C@H]1N(C(=O)c1cn(CC(N)=O)nn1)C2 1079114181 ZOPTWGTXUUBFQG-NTZNESFSSA-N 318.381 -0.468 30 20 DBED C=CCOCC(=O)N(CC)C1CN(C(=O)[C@@H]2CCC(=O)N2)C1 1079491757 UWUOZDDENFPGGC-LBPRGKRZSA-N 309.366 -0.473 30 20 DBED C#CCCCCC(=O)NC1(CO)CCN(C(=O)C(N)=O)CC1 1080823463 TWXGMKLKLCKLCO-UHFFFAOYSA-N 309.366 -0.865 30 20 DBED N#CCSCC(=O)NC[C@@H]1CN(C(=O)c2cc[nH]n2)C[C@H]1O 1081286317 JXFXPZSFDRHPMR-MWLCHTKSSA-N 323.378 -0.784 30 20 DBED C=C1CC(C)(C(=O)N2C[C@H](CNC(=O)CC(=O)NC)[C@@H](O)C2)C1 1081433025 GBYYJRGSWHZGQQ-RYUDHWBXSA-N 323.393 -0.586 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)Cc2nc[nH]n2)C[C@H]1O 1081441795 MRCXPTYGXFNGDB-NWDGAFQWSA-N 319.365 -0.914 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2cn(C)nn2)C1 1081452081 CZCULJFYUUKQHH-DGCLKSJQSA-N 319.365 -0.976 30 20 DBED C=C(C)CCC(=O)NC[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@@H]1O 1081531527 UGKADYYAKKVGLV-NEPJUHHUSA-N 321.381 -0.280 30 20 DBED C=CC(C)(C)C(=O)NC[C@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1O 1081641939 ABRMDXLLJHLEAY-UWVGGRQHSA-N 307.354 -0.434 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)C[C@H]1CCCC(=O)N1 1083137603 JNZQTSWIBUOMBG-QLFBSQMISA-N 319.405 -0.020 30 20 DBED C=C(C)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)C[C@@H]1CC(=O)NC1=O 1083292466 HPNUTIYJCYVWKD-RWMBFGLXSA-N 321.377 -0.473 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)Cn2cccc(C)c2=O)C1 1083457912 MGVSLYUBXWSXAZ-KGLIPLIRSA-N 305.378 -0.106 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2cc(-c3ccn(C)c3)[nH]n2)C1 1083515753 WCOPFBJVSJCGCF-CABCVRRESA-N 313.361 -0.177 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2cn(C)nc2[C@H]2CCOC2)C1 1083674949 CYALZUCCPOXZCQ-YUTCNCBUSA-N 318.377 -0.668 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2cc(-n3ccnc3)ccn2)C1 1083915194 FYGVCMZDWQIUDW-KGLIPLIRSA-N 312.333 -0.434 30 20 DBED CC#CCN1CC[C@@H]2CN(C(=O)Cn3c(O)nnc3O)[C@@H]2C1 1084799692 XHKZNAQYAYOHOX-GHMZBOCLSA-N 305.338 -0.755 30 20 DBED N#CCN[C@H]1C[C@H](CNC(=O)c2ccc(-n3cnnn3)cn2)C1 1086438638 YFEZNZJQBGRGHH-XYPYZODXSA-N 312.337 -0.321 30 20 DBED CN1CC[C@H](C(=O)N2C[C@@H](NCC#N)[C@H](c3cnn(C)c3)C2)C1 1087009466 HQBBUUNQQRSZMG-AEGPPILISA-N 316.409 -0.221 30 20 DBED CCO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1CNCc1cnn(C)n1 1087036140 ZULBURVYHZHJHX-OUCADQQQSA-N 320.397 -0.072 30 20 DBED Cn1cc(C(=O)N2CCCCC[C@H](NCC#N)C2)c(O)nc1=O 1088425090 NMXDIJXXLHDDPP-NSHDSACASA-N 319.365 -0.016 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)c1cnnn1C)N=c1cc[nH]c(C#N)n1 1089292907 SYLSHHVSPPCQLO-VHSXEESVSA-N 314.353 -0.092 30 20 DBED CCN(c1ccnc(C#N)n1)[C@H](C)CNC(=O)Cn1cncn1 1089647339 AQEWEJAHEDUJNE-LLVKDONJSA-N 314.353 -0.029 30 20 DBED CC(=O)N[C@@H](C)C(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1O 1090368991 OUNAOMGUUSKWIA-CUOATXAZSA-N 317.349 -0.856 30 20 DBED CO[C@H](C)CCC(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1O 1090401706 WCAWXMSAHUZIRK-RAIGVLPGSA-N 319.365 -0.171 30 20 DBED C=C(C)CCN1CC[C@@H](NC(=O)CN2CC(=O)NC2=O)[C@H](O)C1 1090654782 LKVADBMBMULNAP-VXGBXAGGSA-N 324.381 -0.944 30 20 DBED COCc1nc(C(=O)N[C@H]2CCN(CC#N)C[C@H]2O)cs1 1090844433 QAHCQOLNHHMNHW-GXSJLCMTSA-N 310.379 -0.022 30 20 DBED C#CCNC1CC(CNC(=O)c2cn([C@@H]3CCOC3)nn2)C1 1091315707 KUHCGZONFYUSHD-WXRRBKDZSA-N 303.366 -0.029 30 20 DBED CCOCCC(=O)N[C@H]1CCN(c2cnc(C#N)cn2)C[C@@H]1O 1092154039 QOTFSPQRSZELDE-STQMWFEESA-N 319.365 -0.169 30 20 DBED CC(=O)NCC(=O)NC[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1C 1092316826 OLQGUMANEFKPRE-ZYHUDNBSSA-N 316.365 -0.327 30 20 DBED CN(C)C(=O)CC(=O)NC1[C@@H]2CN(c3cncc(C#N)n3)C[C@@H]12 1093358867 WGTQHZVZBDFRHW-GHMZBOCLSA-N 314.349 -0.623 30 20 DBED C[C@@H](C(=O)NCCN=c1cc[nH]c(C#N)n1)N1CCCCC1=O 1093666462 ZGRBEPXIRQLVEA-NSHDSACASA-N 316.365 -0.301 30 20 DBED Cc1cc(=NCCNC(=O)C[C@@H]2CC(=O)NC2=O)c(C#N)c[nH]1 1093717333 IVHVPLMCIAFQAQ-SNVBAGLBSA-N 315.333 -0.736 30 20 DBED N#Cc1ccc(NCCNC(=O)c2ccc3nnc(O)n3c2)nn1 1093727598 PNFOMMCGWBPCCJ-UHFFFAOYSA-N 324.304 -0.062 30 20 DBED Cc1cc(=NCCCNC(=O)[C@@H]2COC(=O)N2)c(C#N)c[nH]1 1094387879 JDYVKNDPERLLFG-LBPRGKRZSA-N 303.322 -0.290 30 20 DBED CC#CCN1CC(N2C[C@H](NC(=O)Cc3ncc[nH]3)CC2=O)C1 1094803258 LDOOGSPLGBZRBD-GFCCVEGCSA-N 315.377 -0.623 30 20 DBED CCNC(=O)CC(=O)NC1CCN(c2ccnc(C#N)n2)CC1 1095412570 DPXJUMGBZFGYAN-UHFFFAOYSA-N 316.365 -0.041 30 20 DBED CC(=O)N[C@H](C)C(=O)N[C@@H]1CCN(c2cncc(C#N)n2)C1 1096317703 YEKQDVLPRWFOHA-MWLCHTKSSA-N 302.338 -0.432 30 20 DBED C[C@H](CC(=O)N[C@H]1C[C@H](Nc2ccc(C#N)nn2)C1)NC(N)=O 1097072117 YSVXGEKEOMGVLE-FBIMIBRVSA-N 317.353 -0.146 30 20 DBED N#Cc1nccnc1N1CCC[C@@H](CNC(=O)CC(N)=O)C1 1097289144 GTCVNBJNYJYMID-JTQLQIEISA-N 302.338 -0.444 30 20 DBED CNC(=O)CC(=O)NC1CCC(N=c2cc[nH]c(C#N)n2)CC1 1097623310 LRJPNZWHXIKLCG-UHFFFAOYSA-N 316.365 -0.254 30 20 DBED CCN1CCO[C@@H](C(=O)NC[C@H](C)N=c2cc[nH]c(C#N)n2)C1 1097876120 ZNPKYVWGHYZPLC-NWDGAFQWSA-N 318.381 -0.593 30 20 DBED C[C@H](CNC(=O)[C@H]1CN(C)C(=O)N1)Nc1nccnc1C#N 1098213052 BCSMBWPKHQRXSO-PSASIEDQSA-N 303.326 -0.712 30 20 DBED C#CCCCC(=O)N[C@H]1CCN(Cc2cnn(C)n2)C[C@@H]1O 1099805068 WOJQGXAOKJIWCM-KBPBESRZSA-N 305.382 -0.330 30 20 DBED O=C(C#CC1CC1)N[C@H]1CCN(CCn2cccn2)C[C@@H]1O 1099827672 YHPPBTHMLHKMCS-GJZGRUSLSA-N 302.378 -0.152 30 20 DBED Cn1ccnc1COCC(=O)N[C@@H]1CCN(CC#N)C[C@@H]1O 1099888770 ZGNHTTIRZLSBBH-NEPJUHHUSA-N 307.354 -0.988 30 20 DBED C#CCN1CC[C@@H](NC(=O)C(=O)Nc2ccccc2)[C@H](O)C1 1099904136 QWTAFVRISKKOGO-ZIAGYGMSSA-N 301.346 -0.190 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)Cn2cncc2C)[C@H](O)C1 1099918965 UPYALWNLFQQSRA-LSDHHAIUSA-N 322.409 -0.054 30 20 DBED C#CCN1CC[C@@H](NC(=O)C(=O)Nc2cc(C)on2)[C@H](O)C1 1100111484 FILFWWKJHVTSKC-GHMZBOCLSA-N 306.322 -0.894 30 20 DBED CC(C)(C)C#CC(=O)NCC1CC(NCC(=O)NC(N)=O)C1 1100317504 YHKOATOMWRPPEN-UHFFFAOYSA-N 308.382 -0.285 30 20 DBED CCN(CCNC(=O)[C@H]1CC(=O)N(C)C1)c1nccnc1C#N 1100749291 SGKGBHRDFIWXKC-NSHDSACASA-N 316.365 -0.231 30 20 DBED N#Cc1ccc(N2CC[C@@H](CNC(=O)CCCC(N)=O)C2)nn1 1100988800 WKMUMUXPEYRLCZ-NSHDSACASA-N 316.365 -0.054 30 20 DBED C=CCN1C[C@@H]2CN(C(=O)C[C@H](NC(C)=O)C(N)=O)C[C@]2(C)C1 1101383772 YJCJDMIOTGHMAE-WWGRRREGSA-N 322.409 -0.667 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](C)[C@H](CCNCC(=O)NC(N)=O)C1 1104163090 CHFGIOCKZXFCJJ-CHWSQXEVSA-N 322.409 -0.085 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)CCc1nc[nH]n1 1104515860 NRXRVPHVBNXLET-JTQLQIEISA-N 314.353 -0.220 30 20 DBED C[C@H](CNc1ccc(C#N)nc1)N(C)C(=O)Cn1ncnn1 1104689800 YEYLWJLXTVTPSM-SNVBAGLBSA-N 300.326 -0.101 30 20 DBED Cc1nc(C(=O)N2CC(n3cc(CNCC#N)nn3)C2)co1 1105221736 SACJGBNRZHNTQW-UHFFFAOYSA-N 301.310 -0.115 30 20 DBED CCn1cc(C(=O)N2CC(n3cc(CNCC#N)nn3)C2)nn1 1105351579 BOYSLNQSMHSVMA-UHFFFAOYSA-N 315.341 -0.800 30 20 DBED N#Cc1cncc(NC[C@H](O)CNC(=O)c2cnns2)n1 1105723577 SSUVMRFJMCXTHL-QMMMGPOBSA-N 305.323 -0.597 30 20 DBED Cc1cc(C#N)nc(NC[C@H](O)CNC(=O)C[C@@H]2CCOC2)n1 1105759415 LUNDKSLVTIVUIZ-WCQYABFASA-N 319.365 -0.028 30 20 DBED Cn1cnc(C(=O)NC[C@@H](O)CNc2cnc(C#N)cn2)c1 1105792154 KJFVLBHXMFDTAK-JTQLQIEISA-N 301.310 -0.715 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@H](O)CNc1nc[nH]c2ncnc1-2 1105806409 WNCXTQPNCVHLSZ-OTYXRUKQSA-N 320.353 -0.479 30 20 DBED Cc1c[nH]nc1C(=O)NC[C@H](O)CNc1nccnc1C#N 1105825602 LAXYPHYAPWJKCO-SECBINFHSA-N 301.310 -0.417 30 20 DBED CCn1ccc(C(=O)NC[C@@H](O)CNc2ccc(C#N)nn2)n1 1105981809 FOPDBBWKCGFPGV-NSHDSACASA-N 315.337 -0.233 30 20 DBED Cc1nn[nH]c1C(=O)NC[C@@H](O)CNc1ccc(C#N)cn1 1106036206 WILSCGDAIUMZMJ-JTQLQIEISA-N 301.310 -0.417 30 20 DBED C[C@H]1CCCN1CC(=O)NC[C@@H](O)CNc1nccnc1C#N 1106108038 FVUDNFXEXZJUSM-NWDGAFQWSA-N 318.381 -0.278 30 20 DBED C=CCCO[C@@H](C)C(=O)NCc1cn(C2CN(CCO)C2)nn1 1107140333 AAWJANHANNTVOO-LBPRGKRZSA-N 323.397 -0.276 30 20 DBED C=CCCN1CC(n2cc(CNC(=O)Cn3ncnn3)nn2)C1 1107172616 DFUHRNVIJQPGIA-UHFFFAOYSA-N 317.357 -0.986 30 20 DBED C=CCN1CC(n2cc(CNC(=O)Cc3nc[nH]n3)nn2)C1 1107227971 VTMDQQWZFAOVAX-UHFFFAOYSA-N 302.342 -0.702 30 20 DBED CNC(=O)NCC(=O)NC/C=C/CNc1nccnc1C#N 1107571525 GJEAUSRWALXDFO-NSCUHMNNSA-N 303.326 -0.638 30 20 DBED C[C@H](CN=c1cc[nH]cc1C#N)NC(=O)[C@@H](C)CS(C)(=O)=O 1107805321 WDBGWPZAJNSVGV-WDEREUQCSA-N 324.406 -0.028 30 20 DBED C[C@H](CNc1ncccc1C#N)NC(=O)C1CC(=O)NC(=O)C1 1107830998 FDGIGGPJLPETEZ-SECBINFHSA-N 315.333 -0.077 30 20 DBED C[C@H](CNc1nccnc1C#N)NC(=O)[C@]1(C)CNC(=O)C1 1108016755 PDHUQFSPTKHSFD-OTYXRUKQSA-N 302.338 -0.209 30 20 DBED C#CCCN1CC(N2C[C@@H](NC(=O)CCCC(N)=O)CC2=O)C1 1108595015 FAWXPGQTVNWXKX-LBPRGKRZSA-N 320.393 -0.933 30 20 DBED CN(CCCNc1ccc(C#N)nn1)C(=O)C1(C(N)=O)CC1 1109613024 DZYWOQFQBDQQES-UHFFFAOYSA-N 302.338 -0.126 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1[C@H]2C[C@H]1N(c1ccc(C#N)nn1)C2 1109704261 PHWHNWGPCYYZSU-IETSOEAISA-N 324.344 -0.819 30 20 DBED C#CCN(C(=O)CC(N)=O)C1CCN(c2ncc(F)cn2)CC1 1110621289 TYFSGTMTCJCDCI-UHFFFAOYSA-N 319.340 -0.078 30 20 DBED C[C@@H]1CN(C(=O)CCNC(N)=O)CC2(CCN(CC#N)CC2)O1 1111552764 MCWOOIQUAFAQKM-GFCCVEGCSA-N 323.397 -0.350 30 20 DBED C=CCN1C[C@@H]2CCC[C@]2(NC(=O)CNC(=O)CNC(C)=O)C1 1111792784 NRIKMKXMBUHMOK-BBRMVZONSA-N 322.409 -0.605 30 20 DBED COC(=O)NCC(=O)N(C)CCCN(C)c1ccc(C#N)nn1 1112035057 MINPMHXOBFHKOD-UHFFFAOYSA-N 320.353 -0.011 30 20 DBED CC(=O)NCC(=O)N1C[C@H](C)[C@H](Nc2nccnc2C#N)C1 1112295144 FTTDQFHYAXMHAI-JOYOIKCWSA-N 302.338 -0.257 30 20 DBED Cc1cc(C#N)nc(N2CC[C@H](NC(=O)CC(N)=O)[C@@H](C)C2)n1 1112396481 WDZAVTKIKMIBBS-CABZTGNLSA-N 316.365 -0.137 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)CNC(=O)C2CC2)CC1 1112649699 OVUYKXVNKFYEQV-GFCCVEGCSA-N 322.409 -0.653 30 20 DBED CSCC(=O)NC[C@H]1CN(c2nccnc2C#N)C[C@H]1O 1112697903 PXDYODKWXFIEEP-GXSJLCMTSA-N 307.379 -0.375 30 20 DBED Cc1cc(C#N)nc(N[C@@H](C)[C@@H](C)NC(=O)Cn2ncnn2)n1 1113192873 CJONHSOMEXJPPI-ZJUUUORDSA-N 315.341 -0.352 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)[C@H]2C[C@]23CCOC3)CC1 1113504511 RLWCMGCVQREENQ-DOMZBBRYSA-N 306.366 -0.803 30 20 DBED Cn1cnnc1CN1C[C@@H]2C(NC(=O)CSCC#N)[C@H]2C1 1113891901 ZPSZWDJTUIOTEC-UWVGGRQHSA-N 306.395 -0.382 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)CC(C)(C)O)[C@H]2C1 1114211984 FBMGWTZFXXRQRD-NMKXLXIOSA-N 307.394 -0.668 30 20 DBED C#CCOCCC(=O)NC1[C@@H]2CN(Cc3ncnn3CC)C[C@@H]12 1114265547 GMJPJNSLRFIENC-CHWSQXEVSA-N 317.393 -0.116 30 20 DBED C#CCOCCC(=O)NC1[C@@H]2CN([C@@H]3CCN(CC)C3=O)C[C@@H]12 1114268061 FECNSGUZTBJUHH-MGPQQGTHSA-N 319.405 -0.307 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)C3(N(C)C)CCC3)[C@@H]2C1 1114405305 QEOWBYBZHUNMNQ-CHWSQXEVSA-N 318.421 -0.734 30 20 DBED C=C[C@](C)(CC)C(=O)NC1[C@@H]2CN(CC(=O)NC(N)=O)C[C@@H]12 1114791647 IGMMWFIHEQQEPT-IQMDTDKHSA-N 308.382 -0.170 30 20 DBED Cc1cc(N(C)CCOCCNC(=O)CC(N)=O)c(C#N)cn1 1115200175 QZHHBQOOYQPLHM-UHFFFAOYSA-N 319.365 -0.294 30 20 DBED CN(C(=O)CNC(N)=O)[C@@H](CN=c1cc[nH]cc1C#N)C1CC1 1115466849 BRZJXIACZJVOIF-ZDUSSCGKSA-N 316.365 -0.308 30 20 DBED CNC(=O)CC(=O)N(C)[C@@H](CN=c1cc[nH]c(C#N)n1)C1CC1 1115509429 DPTIYHJSJPCICF-NSHDSACASA-N 316.365 -0.445 30 20 DBED COCCN(C)CCNC(=O)C(=O)N1CC[C@](F)(C#N)C1 1117152449 NHWHNBAIPYRSDL-ZDUSSCGKSA-N 300.334 -0.855 30 20 DBED C[C@@H](CNC(=O)C(=O)N1CCC(C#N)CC1)S(C)(=O)=O 1117434660 XUFNVKYQIKDZRI-VIFPVBQESA-N 301.368 -0.702 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCC[C@@H]1CN1CCCC1 1117436593 MTXYSJCPEAAFBC-CQSZACIVSA-N 307.394 -0.161 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N1CCC[C@H]1C1OCCO1 1119892499 KQISOIJIZOHMDT-STQMWFEESA-N 324.377 -0.105 30 20 DBED C=CCOCC(=O)NC[C@H](CO)Nc1nc(C)cc(OC)n1 1121325251 WRLVYKTYVVQDHG-LLVKDONJSA-N 310.354 -0.115 30 20 DBED CN(C)C1(C(=O)NC[C@@H](CO)N=c2cc[nH]cc2C#N)CCC1 1122190199 NNVJAXFULKNULH-ZDUSSCGKSA-N 317.393 -0.252 30 20 DBED N#Cc1c(F)cccc1N[C@H](CO)CNC(=O)[C@@H]1CCNC1=O 1122353575 BUSSXVPAABILFZ-VHSXEESVSA-N 320.324 -0.278 30 20 DBED Cc1nsc(N[C@H](CO)CNC(=O)[C@H]2C[C@H]2C(N)=O)c1C#N 1122567915 MUWYRRJDIHAXAY-YIZRAAEISA-N 323.378 -0.666 30 20 DBED CN(C[C@H](O)CN(C)c1ccc(C#N)nn1)C(=O)c1cnco1 1125231763 VDNOXCJYJWPOMZ-LLVKDONJSA-N 316.321 -0.094 30 20 DBED N#Cc1ccc(C(=O)NCCNCC(=O)Nc2ccon2)[nH]1 1125818502 JOMMUIOPUHDZSM-UHFFFAOYSA-N 302.294 -0.168 30 20 DBED C=CCN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)[C@@H]1CCS(=O)(=O)C1 1125953235 CJZMPXGWMWQENL-OUAUKWLOSA-N 316.379 -0.779 30 20 DBED COC[C@@H](C)OC[C@H](O)CNCCNC(=O)c1c[nH]c(C#N)c1 1125988075 KXOUZAGXYDVJIS-BXUZGUMPSA-N 324.381 -0.382 30 20 DBED C[C@@H](CC(=O)NCCNCC(=O)NCC#N)N1CCCCC1=O 1127162021 IOQBEURGKKAJGN-LBPRGKRZSA-N 323.397 -0.877 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)C(C)(C)C(N)=O)C1 1129054891 ONIBOZAXQZTKIC-MNOVXSKESA-N 306.370 -0.683 30 20 DBED N#CCN1CCOC[C@H]1c1n[nH]c(CNC(=O)C(F)F)n1 1130825496 JHKURJUTGOYYIC-ZETCQYMHSA-N 300.269 -0.417 30 20 DBED C#CCOCCC(=O)N1C[C@@H](NCC#N)[C@H](c2cncn2C)C1 1130988567 IUUOLAVLJGUQBG-ZIAGYGMSSA-N 315.377 -0.132 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@@H]1CC(=O)N[C@H](CC)C1 1131680829 RKCYCSSTWHZKNQ-NWDGAFQWSA-N 310.398 -0.701 30 20 DBED C[C@@H]1CC[C@H](NC(=O)c2csnn2)CN1CC(=O)NCC#N 1132207261 SCSIVGOUDPUHMD-ZJUUUORDSA-N 322.394 -0.239 30 20 DBED C[C@@H](C[C@H](C)NC(=O)c1cc[n+]([O-])cc1)NCC(=O)NCC#N 1133636975 QBTYMHOAEIYGGP-RYUDHWBXSA-N 319.365 -0.554 30 20 DBED Cc1cc(C(=O)N[C@@H](C)C[C@H](C)NCC(=O)NCC#N)nn1C 1133831092 RLOXIGQGCUHUSJ-QWRGUYRKSA-N 320.397 -0.145 30 20 DBED COc1cc(C(=O)N[C@@H](C)C[C@@H](C)NCC(=O)NCC#N)on1 1134135061 RIXAZVVLYSUXMD-ZJUUUORDSA-N 323.353 -0.191 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)[C@H](CC)NC(C)=O)C1=O 1134175550 WEPFCWSDRCLGNH-STQMWFEESA-N 310.398 -0.606 30 20 DBED C[C@H](C[C@@H](C)NC(=O)CCS(=O)(=O)N(C)C)NCC#N 1146570721 IJMQTOCMOMWREL-GHMZBOCLSA-N 304.416 -0.336 30 20 DBED N#CCNC(=O)CN1CCCO[C@H](CNC(=O)c2cnco2)C1 1150053121 DZYYTPLAXWNXAG-LLVKDONJSA-N 321.337 -0.865 30 20 DBED C#CCN(CC)[C@H](C)CNC(=O)C1(n2cnnn2)CCOCC1 1155743992 PKLOYIZYDKPYGN-CYBMUJFWSA-N 320.397 -0.361 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)[C@H]2CCC(=O)N2)C1=O 1155749322 VARVBNSSGXTYHO-VXGBXAGGSA-N 308.382 -0.852 30 20 DBED CC(C)[C@H]1OCC[C@@H]1C(=O)NCCCNCC(=O)NCC#N 1159605888 BLDAEARGGWXEJV-GXTWGEPZSA-N 310.398 -0.217 30 20 DBED C#CCN1CC=C(CCNC(=O)C[C@@H]2CC(=O)NC2=O)CC1 1162016535 HRMFDDUSKKHCAS-CYBMUJFWSA-N 303.362 -0.189 30 20 DBED CNC(=O)NC(=O)CNCC1(CCNC(=O)[C@@H](C)C#N)CC1 1163855030 XQBWQUCCMDEKHA-JTQLQIEISA-N 309.370 -0.522 30 20 DBED CCNC(=O)CCC(=O)N1CC[C@@H]2OCCN(CC#N)[C@H]2C1 1176962592 KLAVTARHIRSXPO-STQMWFEESA-N 308.382 -0.272 30 20 DBED N#CCN1CCO[C@@H]2CCN(C(=O)CCCCNC(N)=O)C[C@H]21 1177042482 PUPOVWCDMCZXIY-CHWSQXEVSA-N 323.397 -0.350 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)Cn2nccn2)[C@H]1C 1178788957 XNGYYZUMNCPFIK-AGIUHOORSA-N 320.397 -0.452 30 20 DBED CCn1ccc(CC(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)n1 1182709670 YOGYIHVZLWOWIR-CYBMUJFWSA-N 318.381 -0.724 30 20 DBED C#CCCN[C@@H]1CCN(C(=O)[C@@H](NS(C)(=O)=O)C(C)C)C1 1186194061 UYPKLFLAEFZRGK-OLZOCXBDSA-N 315.439 -0.226 30 20 DBED C#CCNC[C@@H]1CN(C(=O)[C@@H](C)NC(C)=O)CC12CCOCC2 1186235888 FKPWKRPVWPRLNV-UKRRQHHQSA-N 321.421 -0.011 30 20 DBED C#CCN1CCC(C(=O)N2CC[C@@H](NCCOCCO)C2)CC1 1188092238 RZTWFGAFAIFJSH-MRXNPFEDSA-N 323.437 -0.469 30 20 DBED COCC#CCN(C)[C@H]1CCN(C(=O)CN2CCCC2=O)C1 1188792615 IFXRYZOIVYQMQH-AWEZNQCLSA-N 307.394 -0.209 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2cccnc2)C1 1190740757 AKIYTGZTTPRPEI-CHWSQXEVSA-N 304.350 -0.841 30 20 DBED COCC#CCN(C)[C@H]1CCN(C(=O)[C@@H]2CCCNC2=O)C1 1190790273 XXVCDRKQJKPRIP-UONOGXRCSA-N 307.394 -0.305 30 20 DBED CCc1cc(C(=O)N[C@@H]2CN(CC#CCOC)C[C@H]2O)n[nH]1 1191113762 FPZXAORRHLUGSE-ZIAGYGMSSA-N 306.366 -0.603 30 20 DBED C#CCCN(C)[C@@H]1CCN(C(=O)[C@H]2COCCN2C(C)=O)C1 1194124184 JIEWBDCPJQWKLO-HUUCEWRRSA-N 307.394 -0.210 30 20 DBED C#CCO[C@H](C)C(=O)N1CCCN(CC(=O)NCC=C)CC1 1195792807 ZXZYPVMTDFTGGZ-CQSZACIVSA-N 307.394 -0.139 30 20 DBED C=CCCC1(C(=O)N[C@@H]2CN([C@H]3CCNC3=O)C[C@H]2O)CC1 1195906178 SACLUQUHIQVPNP-FRRDWIJNSA-N 307.394 -0.217 30 20 DBED C[C@@H](C(=O)N1CCCN(CC(=O)NCC#N)CC1)[C@@H]1CCCO1 1197076848 LWJHKAPPAQFQAM-KGLIPLIRSA-N 322.409 -0.024 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)Cc2cnn(C)c2)C1 1197350501 WNMFLUZLXTYRIW-NWANDNLSSA-N 304.394 -0.217 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)Cc2nnc(C)o2)CC1 1200371415 OOSMUPQIXMSOEP-UHFFFAOYSA-N 319.365 -0.749 30 20 DBED CC#CCNC1CCN(C(=O)CCS(=O)(=O)NC)CC1 1200540352 AGECUBQOATVNHN-UHFFFAOYSA-N 301.412 -0.470 30 20 DBED C=CCNC[C@@H]1CN(C(=O)[C@H](C)S(C)(=O)=O)CCCO1 1200814573 JXINGHVBXKWZJG-NWDGAFQWSA-N 304.412 -0.187 30 20 DBED CC(=O)N1CC[C@](C)(C(=O)N2CCCO[C@H](CNCC#N)C2)C1 1201800642 NCCDOCJXJZTEBT-ZBFHGGJFSA-N 322.409 -0.024 30 20 DBED C#CCNC[C@@H]1CN(C(=O)[C@@H]2CN(C(C)=O)CCO2)CCCO1 1201974568 FCRJHOZFONSMKF-CABCVRRESA-N 323.393 -0.926 30 20 DBED C=CCNC[C@@H]1CN(C(=O)[C@@H]2CCCS2(=O)=O)CCCO1 1202107973 DMRBEHREJLXXQE-OLZOCXBDSA-N 316.423 -0.043 30 20 DBED C=CCNC(=O)NC(=O)CN1C[C@@H](NC(=O)COC)[C@H](C)C1 1205707899 XKEHBNTYDMWPAP-GHMZBOCLSA-N 312.370 -0.919 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)Cc2ccn(C)n2)[C@H](C)C1 1206943798 FSZBYLZVGLNUHG-TZMCWYRMSA-N 317.393 -0.852 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)CCc1ccon1 1207996267 GYEKBMGAKJULKJ-DGCLKSJQSA-N 319.365 -0.317 30 20 DBED C#CCCN[C@@H]1CCCN(C(=O)[C@H](C)NS(C)(=O)=O)C1 1209835438 BJFZSNDUZRCZIS-NWDGAFQWSA-N 301.412 -0.472 30 20 DBED C=CCOCCN1C[C@@H](NC(=O)CNC(=O)OC)[C@H](OC)C1 1211945248 ZAKNCQPLAQHHJU-VXGBXAGGSA-N 315.370 -0.640 30 20 DBED C=CCn1cc(C(=O)N2C[C@@H](NCC(=O)N(C)C)[C@H](C)C2)nn1 1215832892 QUYPTZXGSBOXMF-VXGBXAGGSA-N 320.397 -0.398 30 20 DBED C=CCCC(=O)N1CCO[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1217475801 GYTAHWLJFUKEBL-QWHCGFSZSA-N 306.366 -0.496 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(Cc2nnc(C)s2)C[C@@H]1O 1219362172 SUEQVKLGISOOPL-MNOVXSKESA-N 312.395 -0.290 30 20 DBED Cc1csc(=O)n1CCN1C[C@H](O)[C@H](NC(=O)[C@@H](C)C#N)C1 1219380932 BXOYTAGVXVFMOO-WCQGTBRESA-N 324.406 -0.461 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@H](C)Cc2cnn(C)c2)C1 1220650080 WNMFLUZLXTYRIW-YUELXQCFSA-N 304.394 -0.217 30 20 DBED N#CCNC(=O)CN1CC[C@@H]2CN(C(=O)Cc3ccoc3)[C@@H]2C1 1221500202 SWRUDHZROYPBKE-ZIAGYGMSSA-N 316.361 -0.005 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)[C@H]2C[C@]23CCOC3)CC1 1229927462 UCYZIFBDMUZZDH-PBHICJAKSA-N 319.405 -0.257 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)[C@H]1CCCCO1 1233682415 DYLXIFJWLZUGIY-ZIAGYGMSSA-N 307.394 -0.162 30 20 DBED CN(C[C@H]1CCN1CC(=O)NCC#N)C(=O)[C@@H]1CCCCO1 1233683148 LWIAKKQZULPTKQ-OLZOCXBDSA-N 308.382 -0.272 30 20 DBED CC(C)C#CC(=O)N(C)C[C@H]1CCN1[C@H]1CCC(=O)NC1=O 1234160558 IFUGUVMVVXVQBC-OLZOCXBDSA-N 305.378 -0.016 30 20 DBED C#CCCN1CC[C@H]1CN(C)C(=O)CCS(=O)(=O)NC 1234287842 WHYALIUOJFUIRK-LBPRGKRZSA-N 301.412 -0.518 30 20 DBED CON(C)C(=O)C1CCN(C(=O)[C@H](C)n2cnc(C#N)n2)CC1 1261212494 CCWXVDBBQOJEMZ-JTQLQIEISA-N 320.353 -0.031 30 20 DBED N#Cc1ccc(N2CCN(C(=O)C(=O)N3CC(F)C3)CC2)nc1 1261359012 QPLLJDCDXWBBCO-UHFFFAOYSA-N 317.324 -0.218 30 20 DBED COC[C@](C)(C#N)NC(=O)Cc1c(C)[nH]c2ccnn2c1=O 1319335522 JBFZUEVHNYDNEQ-AWEZNQCLSA-N 303.322 -0.082 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@](C)(CO)C2)C1=O 1319653801 WUMRGGICGQWXHQ-OAHLLOKOSA-N 323.349 -0.416 30 20 DBED C[C@H](CN1CCCC1=O)NC(=O)C(=O)N1CC[C@](F)(C#N)C1 1321874626 PYRLVZGAXSMHFR-YGRLFVJLSA-N 310.329 -0.422 30 20 DBED N#C[C@@]1(F)CCN(C(=O)C(=O)NCC(=O)N2CCCCC2)C1 1322454300 BWHJNDMQLSVYTJ-AWEZNQCLSA-N 310.329 -0.421 30 20 DBED N#CCC1(CNC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)CC1 1323751987 NQZLLMWXJGDQQE-STQMWFEESA-N 320.393 -0.224 30 20 DBED Cn1cc(CCCNC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)cn1 1326120747 NMCZTNNODMPOEZ-HNNXBMFYSA-N 319.365 -0.654 30 20 DBED N#CCCC[C@H](N)C(=O)N1CCCC[C@@H]1CNC(=O)CCN 1326312784 GINGFXITACQWKC-OLZOCXBDSA-N 309.414 -0.146 30 20 DBED C=C[C@H](CO)NC(=O)C(=O)Nc1cccnc1N1CCOCC1 1327443757 KYTDLTFFFXUQEG-LLVKDONJSA-N 320.349 -0.480 30 20 DBED CS(=O)(=O)C[C@@H](C(=O)NCC(=O)NCC#N)c1ccccc1 1328384319 PWDZDZMPUCECOU-GFCCVEGCSA-N 323.374 -0.429 30 20 DBED C=CCN1CC[C@H](N2CCC(n3cc(C(N)=O)nn3)CC2)C1=O 1328885457 SAUFBKGFTIRNBX-ZDUSSCGKSA-N 318.381 -0.199 30 20 DBED C=CCO[C@@H]1CCN(S(=O)(=O)c2cnn(CC(=O)O)c2)C1 1329273001 MVUUOKPQKZGBKX-SNVBAGLBSA-N 315.351 -0.067 30 20 DBED N#C[C@@H]1CCCN(C(=O)C(=O)NCCOC[C@H]2CCOC2)C1 1333138207 MAGHHMJDNAESEA-STQMWFEESA-N 309.366 -0.082 30 20 DBED C=CCn1c(N2CCN(C)C(=O)[C@@H]2C)nnc1[C@]1(O)CCOC1 1342443089 PVVDZPCOHFOLOI-NHYWBVRUSA-N 321.381 -0.261 30 20 DBED C#CCCCCNC(=O)C(=O)N1CC[C@@H]2NC(=O)OC[C@H]2C1 1346480020 AYNJVTCSVZNLBM-NEPJUHHUSA-N 307.350 -0.137 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)NCCCn1cncn1 1352354336 DBKITTVHWJBQKM-UHFFFAOYSA-N 307.354 -0.717 30 20 DBED N#Cc1cn(CC(=O)N[C@@H](CO)CC(F)(F)F)c(=O)nc1O 1362697602 QKHNLBXQVQLURH-SSDOTTSWSA-N 320.227 -0.750 30 20 DBED N#CCCN1CCN(C(=O)c2ccc(S(N)(=O)=O)nc2)CC1 1363622132 BUAQDCMECYGDOI-UHFFFAOYSA-N 323.378 -0.600 30 20 DBED N#CC1(CNC(=O)NCCN2CCNC(=O)C2)CCOCC1 1364259014 FMOZJUPFUONOEA-UHFFFAOYSA-N 309.370 -0.962 30 20 DBED COC[C@@H](O)CNC[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 1371580575 YKNPOSHVGPVFNZ-YPMHNXCESA-N 306.366 -0.055 30 20 DBED CNC(=O)NCCC(=O)NC1CCN(C(=O)[C@@H](C)C#N)CC1 1372138069 GKDGHOLODZCQDG-JTQLQIEISA-N 309.370 -0.428 30 20 DBED CC(C)CS(=O)(=O)CC(=O)N[C@@H](C)CNC(=O)[C@H](C)C#N 1387084655 HTWKPBCDFKNABE-MNOVXSKESA-N 317.411 -0.162 30 20 DBED CNC(=O)NCCC(=O)N1CC[C@@](C)(CNC(=O)[C@@H](C)C#N)C1 1394405233 WJNASKWMRJRTNL-NHYWBVRUSA-N 323.397 -0.180 30 20 DBED COC(=O)NCC(=O)NCC[C@@H](C)NC(=O)c1cc(C#N)c[nH]1 1397759686 VMPJUAQVJNRSHJ-SECBINFHSA-N 321.337 -0.133 30 20 DBED N#Cc1cn(CC(=O)N2CCC[C@@H]2[C@H]2CCCO2)c(=O)nc1O 1412108904 JMMOFKZPOGLRQU-VXGBXAGGSA-N 318.333 -0.009 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N1CC[C@H](C(=O)N(C)C)C1 1414284205 WXBHBFICKQFOPO-QWRGUYRKSA-N 302.400 -0.125 30 20 DBED CCC(=O)NCC(=O)N1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 1414927724 KVUCHAZIHDFHNF-NSHDSACASA-N 317.349 -0.257 30 20 DBED CCC(=O)NCC(=O)N1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 1427735008 IHSWEZZGFARKJV-NSHDSACASA-N 317.349 -0.257 30 20 DBED CC(=O)N(C)C1CCN(c2[nH]c(=O)n(C)c(=O)c2C#N)CC1 1434435794 IAFWASHDMPFWGX-UHFFFAOYSA-N 305.338 -0.608 30 20 DBED CCOCC1(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2O)CC1 1445502998 XXOJUYVLVSVMQW-QJPTWQEYSA-N 309.366 -0.349 30 20 DBED CC(C)(NC(=O)CCn1cc(C#N)c(O)nc1=O)c1ncc[nH]1 1449501392 HZBQXWKNAMCXSP-UHFFFAOYSA-N 316.321 -0.015 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1cnn(CCF)c1 1452372771 BTCLLCMWLXMEAM-ONGXEEELSA-N 311.317 -0.781 30 20 DBED C[C@H](C#N)C(=O)NC1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 1453794078 RSLWYVZPQAQCGX-ADEWGFFLSA-N 322.365 -0.714 30 20 DBED CS[C@@H](C)C(=O)NC[C@@H](O)CNC(=O)c1ccc(C#N)[nH]1 1457909173 DUXLWZXLIQKAPE-WCBMZHEXSA-N 310.379 -0.155 30 20 DBED Cn1c(=O)[nH]c(N2CC(=O)N[C@H]3CCCC[C@H]32)c(C#N)c1=O 1472729839 UKKGGDUEJCHRRG-VHSXEESVSA-N 303.322 -0.807 30 20 DBED CCN(CCC#N)C(=O)CN[C@@H](C)CNC(=O)c1[nH]nnc1C 1480514375 GGJSWJXVHJOYHD-JTQLQIEISA-N 321.385 -0.417 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@](CO)(NCCc2cnn[nH]2)C1 1575175945 CILAQNNBCZIBDR-SMDDNHRTSA-N 306.370 -0.550 30 20 DBED C[S@](=O)C1(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)CCNCC1 1579354189 FCVSSSCMFCZBPB-DMZKTXOQSA-N 324.450 -0.314 30 20 DBED C#CCN(CC(=O)O)S(=O)(=O)c1csnc1C(=O)O 1588465665 BSMYEWZZERZBDS-UHFFFAOYSA-N 304.305 -0.450 30 20 DBED C=CCN(C(=O)Cn1cnc(-c2nn[nH]n2)n1)[C@@H](C)COC 1588625738 ONTYHPXQUBWBEM-VIFPVBQESA-N 306.330 -0.492 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@]1(C(=O)O)C[C@@H]1S(C)(=O)=O 1588684583 UKSPCSGVLLLPBZ-KPXOXKRLSA-N 305.352 -0.682 30 20 DBED C[C@@H](C(=O)N1CCC(C#N)(C(=O)O)CC1)N1C(=O)CCC1=O 1589345701 FVPHRUIYRKWDOW-VIFPVBQESA-N 307.306 -0.259 30 20 DBED C#C[C@H](CO)NC[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 1602687572 CQOHSWPDBPLZLW-VXGBXAGGSA-N 303.322 -0.810 30 20 DBED C=C[C@H](C)ONC(=O)CCn1cc(-c2nn[nH]n2)c(O)nc1=O 1602798946 ULMCRQLMMYFKSP-ZETCQYMHSA-N 321.297 -0.859 30 20 DBED Cc1nc(Cn2c(=O)c(C#N)cn(CC(=O)O)c2=O)cs1 1605408035 DAHBLAMNDSFYAI-UHFFFAOYSA-N 306.303 -0.221 30 20 DBED N#CCN1CCO[C@@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1606350095 PNWYJODDDVWFEC-JTQLQIEISA-N 316.325 -0.851 30 20 DBED C=C(C)COCCNC(=O)C(=O)Nc1c(C(=O)O)cnn1C 1609248235 GDVCZCOMSZYHDM-UHFFFAOYSA-N 310.310 -0.234 30 20 DBED N#CCOc1cccc(CNC(=O)C(=O)NCCC(=O)O)c1 1611291414 XFXYPMPPBPSVJO-UHFFFAOYSA-N 305.290 -0.204 30 20 DBED C=CCN1CC[C@H](NC(=O)[C@@H](NS(C)(=O)=O)C(C)C)C1 1731375287 XWWPWWZWYJHNBZ-RYUDHWBXSA-N 303.428 -0.063 30 20 DBED CC[C@@H](C(=O)N1CC[C@@H](CN(C)CC(=O)NCC#N)C1)N(C)C 1732075011 BECDTJSKDLIQRC-KBPBESRZSA-N 323.441 -0.253 30 20 DBED C=CCNC(=O)[C@H](C)N[C@H]1C[C@@H](NC(=O)c2cncn2C)C1 1752741108 MUGLNPKIFQKUSJ-SDDRHHMPSA-N 305.382 -0.039 30 20 DBED N#CCNC(=O)CNC[C@@H]1CCCN(C(=O)c2ccon2)C1 1752792665 CDFOYBYPOLSQPT-NSHDSACASA-N 305.338 -0.244 30 20 DBED C=CCNC(=O)[C@H](C)N1CC(NC(=O)c2coc(OC)n2)C1 1753381925 BBLNWGXCIOKQJJ-VIFPVBQESA-N 308.338 -0.212 30 20 DBED COCC#CCN1CC(CNC(=O)c2cn(CCOC)nn2)C1 1753402926 HZDMPWHDLVSXKV-UHFFFAOYSA-N 321.381 -0.764 30 20 DBED C#CCNC(=O)CNC[C@H](C)CNC(=O)Cn1cncc1C 1753624679 CLZOPKINXANRTL-LBPRGKRZSA-N 305.382 -0.717 30 20 DBED C#CCCNC[C@H](C)CNC(=O)[C@@H]1Cc2cncn2C(=O)N1 1753628028 XSHGYDMNVMGTKM-AAEUAGOBSA-N 303.366 -0.269 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)CNC(=O)c2ccsc2)C1 1753657952 KTNMRYUPNNTTBT-ZDUSSCGKSA-N 321.402 -0.072 30 20 DBED C#CCNC[C@H]1[C@@H](C)CCCN1C(=O)CN1CCN(C)C(=O)C1 1753807259 KVGBINARPNBGPL-GJZGRUSLSA-N 320.437 -0.390 30 20 DBED C=CCN1CC[C@H](NC[C@@H](C)NC(=O)CNC(=O)CC)C1=O 1754219384 KGDATTPECKMCCJ-NEPJUHHUSA-N 310.398 -0.606 30 20 DBED C=CCNC(=O)NC(=O)CNC[C@@H](C)NC(=O)c1cncnc1 1754223398 WCXUJHYSCCQJGB-SNVBAGLBSA-N 320.353 -0.804 30 20 DBED COCC#CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1cn(C)c(O)n1 1754428333 LQAOWYLATUSCDH-KGYLQXTDSA-N 304.350 -0.422 30 20 DBED C=C(Cl)CN1CC[C@H]1CNC(=O)CN1C(=O)CN(C)C1=O 1754502531 KPFKUFDIGHKWKW-JTQLQIEISA-N 314.773 -0.177 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@]1(O)CCN(Cc2nc(C)no2)C1 1754748781 MOAAZFJGPIRYED-CABCVRRESA-N 324.381 -0.242 30 20 DBED C#CCCN1CC(O)(CNC(=O)[C@@H](C)OC[C@@H]2CCCO2)C1 1754779718 GTIJMNZFUILDIC-KGLIPLIRSA-N 310.394 -0.243 30 20 DBED C=CCCOCC(=O)NCC1(O)CN([C@H](C)c2n[nH]c(C)n2)C1 1754781418 VWPYANUDSLUMBI-LLVKDONJSA-N 323.397 -0.070 30 20 DBED C#CCN1CCC[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)CC)CC1 1755024652 FRXYZSDEFRCBEL-CHWSQXEVSA-N 315.439 -0.082 30 20 DBED CC#CCN(C)CCCN(C)C(=O)CN1CCCS1(=O)=O 1755038211 QJQIONHPVQPLJW-UHFFFAOYSA-N 315.439 -0.175 30 20 DBED C#CCN1CC2(C1)CN(C(=O)[C@@H](NC(N)=O)C(C)(C)C)CCO2 1755051026 JQLJCXRMYMNGSQ-GFCCVEGCSA-N 322.409 -0.384 30 20 DBED C#CCNC(=O)CN1CC([C@@H](C)NC(=O)[C@H](C)NC(=O)CC)C1 1755376792 KBCVVLHDPSVCHD-NEPJUHHUSA-N 322.409 -0.913 30 20 DBED CCN(CC)S(=O)(=O)CC(=O)N(C)C[C@H](C)NCC#N 1755608166 ZMZAMGRAFQSTCF-NSHDSACASA-N 304.416 -0.382 30 20 DBED CC(C)C#CC(=O)N1CCO[C@H]([C@H](C)NC(=O)CNC(N)=O)C1 1756218517 YDIBBCOWSPROBK-RYUDHWBXSA-N 324.381 -0.954 30 20 DBED CC#CCCCC(=O)N(C)C[C@H](C)NC(=O)c1nnn(C)n1 1756487991 VRXGDJRCZHHPSG-NSHDSACASA-N 306.370 -0.020 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2nnn(C)c2C)C1 1756987949 RGQFXLGFSNRDCS-GHMZBOCLSA-N 307.354 -0.609 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(C(=O)c2cocn2)C[C@@H]1O 1757169267 UBXSKERRKACSHO-OLUVUFQESA-N 309.322 -0.697 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(C(=O)[C@@H]2CC(=O)N(C)C2)[C@@H]1C 1757503572 YERCMQJDGCDGKH-UPJWGTAASA-N 323.393 -0.227 30 20 DBED COC[C@@H](NC(=O)CCc1c(C)nc(O)c(C#N)c1C)C(N)=O 1771632670 AGSYTRMAQOTHQQ-GFCCVEGCSA-N 320.349 -0.175 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N1CCO[C@](C)(C(=O)O)C1 1776398559 QQOFGKHVXUIQPN-KOLCDFICSA-N 305.356 -0.359 30 20 DBED N#CCCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3C[C@@H](O)C3)C2)C1 1778128444 ANAKLVZRXPGPMX-ZENOOKHLSA-N 321.377 -0.109 30 20 DBED CC[C@H](O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C#CC(=O)O)C2 1792982636 SEPGMJXEHJAKJU-USZNOCQGSA-N 308.334 -0.517 30 20 DBED N#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C=CCN1 1796310871 IOBUDVJOKLQPCG-XFMPKHEZSA-N 318.377 -0.592 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)C(OC)OC)C1 1841486359 ZCMNCNAHHZYWKC-LBPRGKRZSA-N 324.377 -0.153 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)[C@@H](C)NC=O)C2 1841601859 FXWHOEXWFOYYPD-OLZOCXBDSA-N 321.377 -0.637 30 20 DBED C[C@@H](C#N)S(=O)(=O)N1CCc2cc(S(N)(=O)=O)ccc21 88486349 KULNHBUBIKETRG-QMMMGPOBSA-N 315.376 -0.062 30 20 DBED C#CCOCCC(=O)NCCS(=O)(=O)NCC1CCC1 133027310 QNWBFDJRQVFXGT-UHFFFAOYSA-N 302.396 -0.138 30 20 DBED C#CCCCCNC(=O)CNS(=O)(=O)c1cn(C)c(C)n1 156011750 JCCNJUALVGCJIY-UHFFFAOYSA-N 312.395 -0.073 30 20 DBED CS(=O)(=O)CCNCCS(=O)(=O)c1ccc(C#N)cc1 163071537 GWCAKPFDYYEQTK-UHFFFAOYSA-N 316.404 -0.034 30 20 DBED C#CC(C)(C)NC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 265052997 ZJLCIUPDDJENRY-UHFFFAOYSA-N 300.318 -0.226 30 20 DBED Cc1cccc(S(=O)(=O)NCCNS(C)(=O)=O)c1C#N 269633919 BBEOGCQHINUAMV-UHFFFAOYSA-N 317.392 -0.306 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)C2(C)CC2)c1=O 279846354 DSTGHZYVFHXWKM-UHFFFAOYSA-N 305.334 -0.087 30 20 DBED C[C@H](C/N=C(/O)N1CCN2C(O)=NC[C@@H]2C1)N1CCOCC1 329802287 KFYSCPMWFALZNR-VXGBXAGGSA-N 311.386 -0.465 30 20 DBED N#CCNC(=O)CN1CCN(S(=O)(=O)c2cccnc2)CC1 330504914 JFQJFOFBWJCPFP-UHFFFAOYSA-N 323.378 -0.972 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@@H](C(=O)OC)C1CC1 337060469 GIXCDFPJYAXPGQ-LLVKDONJSA-N 319.383 -0.366 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)NCC1(O)CCN(C)CC1 337987882 GDVGOMVUFJRICW-NSHDSACASA-N 304.416 -0.489 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)c2cnnn2CC)CC1 338660280 GCVIRBODIDGUSX-UHFFFAOYSA-N 306.370 -0.642 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC(N)=O 339940121 SCSBUIHCGDVNOY-AAEUAGOBSA-N 316.361 -0.135 30 20 DBED C[C@@H](O)C[C@H]1COCCN1C(=O)C(=O)Nc1ccc(C#N)cn1 340346380 VRFLDJOOSZYRNX-PWSUYJOCSA-N 318.333 -0.110 30 20 DBED CC#CCN(C)C(=O)CCc1nc2c(O)nc(=O)n(C)c2[nH]1 341020850 CPBWQQRLEOMCMO-UHFFFAOYSA-N 303.322 -0.224 30 20 DBED C[C@@H]1C[C@@H](CO)CCN1S(=O)(=O)N1CCO[C@@H](C#N)C1 341958593 PMAUAOLHTHZGJD-WOPDTQHZSA-N 303.384 -0.452 30 20 DBED CN1C(=O)CO[C@@H](C(=O)NCCCC#N)[C@H]1c1cnn(C)c1 348413895 SPZNFKFAJMGRMP-CHWSQXEVSA-N 305.338 -0.262 30 20 DBED N#C[C@]1(NC(=O)c2cn(CC(N)=O)nn2)CCc2ccccc2C1 350338484 YTTVYKAIDPUWTN-INIZCTEOSA-N 324.344 -0.056 30 20 DBED C=CCNC(=O)CNC(=O)C(=O)Nc1ccccc1C(=O)OC 358841476 QCALHWCMCJDIPT-UHFFFAOYSA-N 319.317 -0.170 30 20 DBED C=CCNC(=O)CNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O 360129728 VAWIDLGXXWBFFF-UHFFFAOYSA-N 314.323 -0.044 30 20 DBED N#Cc1cccc(C(=O)N2CCS(=O)(=O)[C@H](C(=O)O)C2)c1 424238452 INROGOUXIQZWAJ-NSHDSACASA-N 308.315 -0.118 30 20 DBED COC[C@H](C)OC[C@H](O)Cn1cc(C(=O)OC)cc(C#N)c1=O 446992409 CPQJEHPUJVGZNJ-GXFFZTMASA-N 324.333 -0.081 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2C[C@@H](OCC)C2)C1=O 457861536 QUXMXPRXRADGRP-AOOOYVTPSA-N 309.322 -0.353 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@@H](C)c2ccnn2C)CC1 491474251 LGHZBXWSJUFZQT-ZDUSSCGKSA-N 317.393 -0.583 30 20 DBED COC(=O)NCC(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 492751678 YTQXZBYTUSULDO-UHFFFAOYSA-N 320.353 -0.395 30 20 DBED CNS(=O)(=O)C[C@@H]1CCCN1S(=O)(=O)N(C)CCC#N 494788818 VLPPBRNTUGOELY-JTQLQIEISA-N 324.428 -0.910 30 20 DBED CC(=O)NCCN(C)CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 519550608 XFVGLKDUXDOXHW-HNNXBMFYSA-N 323.441 -0.253 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)NC[C@@](C)(CC(=O)O)C(=O)O 521052419 VSABOOVXDFEZAL-LDYMZIIASA-N 321.355 -0.522 30 20 DBED Cn1c(N)c(C(=O)CN2CCC(CC#N)CC2)c(=O)n(C)c1=O 543811336 RFUFTOQKQJMBCX-UHFFFAOYSA-N 319.365 -0.525 30 20 DBED N#Cc1ccc(S(=O)(=O)N(CCO)CC(=O)O)c(F)c1 547904830 WXCRPHWWDYBFHT-UHFFFAOYSA-N 302.283 -0.235 30 20 DBED N#Cc1ccc(F)c(CS(=O)(=O)N[C@@H](CCO)C(=O)O)c1 548206311 VPMOUSQZYVMBTK-NSHDSACASA-N 316.310 -0.048 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N2CCC[C@H](CCO)CC2)CCO1 566493140 MIFIOTATOZBMRT-QWHCGFSZSA-N 317.411 -0.060 30 20 DBED C=C[C@@H]1OCCC[C@H]1NC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1 615871720 NYYMUDVPANASFC-UTUOFQBUSA-N 317.411 -0.248 30 20 DBED CC#CC[C@H](CO)NC(=O)N[C@@H]1CCc2nc(COC)nn2C1 645361911 VHQCIMJGLXGDFQ-VXGBXAGGSA-N 321.381 -0.187 30 20 DBED C#CCOc1ccc(F)cc1NC(=O)C(=O)NCC(=O)NC 743880470 PIDKNKSPCYGCGP-UHFFFAOYSA-N 307.281 -0.362 30 20 DBED CCOC(=O)[C@@H]1NC(=O)N(CCNc2ncccc2C#N)C1=O 761029402 HYZMIXVKTFIFFQ-SNVBAGLBSA-N 317.305 -0.151 30 20 DBED C=CCNS(=O)(=O)c1cccc(C(=O)NOCC(N)=O)c1 772939185 FWNAJELTINDMPV-UHFFFAOYSA-N 313.335 -0.702 30 20 DBED C#CCOc1ccccc1NC(=O)C(=O)NCCOCC(N)=O 785251110 ZXNRIZCVSMNHSU-UHFFFAOYSA-N 319.317 -0.745 30 20 DBED C#CCOc1ccc(NC(=O)C(=O)NCc2nnn(C)n2)cc1 787660740 JTFLNSOKYHGNSP-UHFFFAOYSA-N 314.305 -0.523 30 20 DBED N#Cc1ccc(NCC(=O)NC[C@@H]2CC(C(N)=O)=NO2)nc1 793897285 CGHKKEKXYMFTDK-VIFPVBQESA-N 302.294 -0.888 30 20 DBED C#CCC[C@H](O)CNC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 799075370 BOPNCPWDVJLYTG-QPKSUZNQSA-N 320.345 -0.961 30 20 DBED C#CCNS(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(N)=O)cc1 811831445 KSOJDSBCVOKNFE-VIFPVBQESA-N 310.331 -0.371 30 20 DBED CC(=O)NCCN(C(=O)Cc1noc(C)c1C#N)[C@H](C)C(=O)O 819745975 OQBKAVDOTPHDRC-MRVPVSSYSA-N 322.321 -0.165 30 20 DBED C[C@@](C#N)(CC(=O)O)C(=O)NCCNC(=O)c1cccnc1 819841601 BQLLRSBMNAFUPB-AWEZNQCLSA-N 304.306 -0.068 30 20 DBED C#CCCN1CCC(NC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)CC1 828478457 WICJMLUBWQBFDZ-RBSFLKMASA-N 308.378 -0.997 30 20 DBED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1ccc2c(c1)nnn2C 832409385 HMJJCAHTRMIMSW-LLVKDONJSA-N 315.333 -0.203 30 20 DBED C#CC[C@@H](CO)NC(=O)CNS(=O)(=O)c1cccc(F)c1 854548804 YSRBBDXBEHSVDD-NSHDSACASA-N 314.338 -0.396 30 20 DBED C=CCC1(O)CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)CC1 885698088 MZBNHWAUSQLNNB-GFCCVEGCSA-N 315.395 -0.141 30 20 DBED C#CCN(C(=O)CCn1cc(C#N)c(O)nc1=O)C1CSC1 912362669 URIGCHHUJBSKKU-UHFFFAOYSA-N 318.358 -0.212 30 20 DBED C=CCNC(=O)[C@H](C)OC(=O)c1cc(S(=O)(=O)NC)c[nH]1 915243207 XGEKJDVWEXUEHK-QMMMGPOBSA-N 315.351 -0.230 30 20 DBED C=C(C)CN1CCC(NC(=O)N2CC(S(N)(=O)=O)C2)CC1 917093149 VPQZBHQGRPBTCB-UHFFFAOYSA-N 316.427 -0.291 30 20 DBED CS(=O)(=O)CCOCCNC(=O)N1CCC[C@H](C#N)C1 920388794 AQBYCOCKQLREHN-LLVKDONJSA-N 303.384 -0.007 30 20 DBED CCN(C(C)(C)C(=O)OC)S(=O)(=O)N1CCO[C@H](C#N)C1 922000861 SOXSCCIQUIYXHQ-SNVBAGLBSA-N 319.383 -0.271 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N1CCC(O)(CN(C)C)CC1 931486108 MGHPGNZJSFRFLA-GFCCVEGCSA-N 312.414 -0.225 30 20 DBED Cn1cnc(C(=O)N2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)n1 937850483 ADQAQBXLLAGSKX-JTQLQIEISA-N 313.321 -0.341 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)Cc3nc[nH]n3)C2)cn1 938373696 POOAKEVQNJCPKZ-ZDUSSCGKSA-N 324.344 -0.246 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(NC(=O)[C@@H]2CN(C)CCO2)CC1 948097220 YEKUKPCDPJTWMY-AAEUAGOBSA-N 308.382 -0.416 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]1CNC(=O)c1ccc(C(N)=O)cn1 950811785 YQZPAMXLTCBJOF-KOLCDFICSA-N 315.333 -0.329 30 20 DBED CN1C[C@H](C(=O)NC[C@@H]2CCN2C(=O)C#CC2CC2)NC1=O 951470590 HSHXXMFGCLRMBX-NWDGAFQWSA-N 304.350 -0.860 30 20 DBED C=CCn1cc(C(=O)N2CCN([C@H]3CCCNC3=O)CC2)nn1 951559600 DYNRXEXNDCIJOX-ZDUSSCGKSA-N 318.381 -0.500 30 20 DBED C#CCCN1CCN(C(=O)C2CC3(C2)NC(=O)NC3=O)CC1 951706983 PZPCLOHHEAYGFU-UHFFFAOYSA-N 304.350 -0.858 30 20 DBED C=CCN1CC(N(CC)C(=O)C2CC3(C2)NC(=O)NC3=O)C1 953833446 JUPXIJKZIXQJDD-UHFFFAOYSA-N 306.366 -0.307 30 20 DBED C=CCN1C[C@H](O)[C@H](CNC(=O)c2cccc3ncnn23)C1 958223719 PWXIFKOKEDYSRH-YPMHNXCESA-N 301.350 -0.062 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2ccnnc2)C1 958975829 BOQPOVAEBLFCNZ-USWWRNFRSA-N 303.322 -0.720 30 20 DBED C=CC(C)(C)C(=O)N1CC2(CN(C(=O)CC(N)=O)CCO2)C1 965333845 SRHXWLKHXGYFGX-UHFFFAOYSA-N 309.366 -0.486 30 20 DBED Cc1ncc(CC(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)o1 966208743 MDTIPUXQBCZXCF-AXTRIDKLSA-N 306.322 -0.627 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)c1cnn(C)c1N 966399425 LLCLNKIYKZDZLE-ZWNOBZJWSA-N 315.377 -0.008 30 20 DBED Cn1[nH]c(CN[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)nc1=O 968448048 WOTMAOHUVKJWJF-SNVBAGLBSA-N 315.337 -0.688 30 20 DBED CC(=O)N1CCO[C@@H](C(=O)N2C[C@H]3CC[C@H]2CN3CC#N)C1 972069984 MBYPJTMVDUJUBD-HZSPNIEDSA-N 306.366 -0.568 30 20 DBED C=CCCN1CCO[C@@]2(CCN(C(=O)Cn3cnnc3O)C2)C1 972348233 IWDRJQYIBFENEG-HNNXBMFYSA-N 321.381 -0.137 30 20 DBED Cn1ccc(CC(=O)N2CC(NC(=O)c3cc(C#N)c[nH]3)C2)n1 990691901 FXROVELBOIZBIN-UHFFFAOYSA-N 312.333 -0.197 30 20 DBED CN1CCOC[C@H]1C(=O)NC1CN(C(=O)c2c[nH]c(C#N)c2)C1 990921471 MRYDKUYTLFVUCC-ZDUSSCGKSA-N 317.349 -0.842 30 20 DBED COCCn1cc(C(=O)NC2CN(C(=O)[C@H](C)C#N)C2)nn1 991475715 KCJBZQRMNVPERX-SECBINFHSA-N 306.326 -0.975 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NC1CN(C(=O)c2cnnn2C)C1 992063074 PGPCBHVGLURYPN-YPMHNXCESA-N 319.365 -0.263 30 20 DBED C#CCCN1CC[C@@]2(NC(=O)CN3CCNC(=O)C3)CCC[C@@H]12 992108715 QKPADARIFORVQK-PBHICJAKSA-N 318.421 -0.445 30 20 DBED C=C(C)CN1CCC[C@H](NC(=O)CN2CCNC(=O)C2)[C@H]1C 993700051 LAHWRFHHNOZVOQ-KGLIPLIRSA-N 308.426 -0.037 30 20 DBED C[C@@H](NC(=O)c1nnc(O)nc1O)C1CCN(CC#N)CC1 997205678 OOWCAXCXRSSUNJ-MRVPVSSYSA-N 306.326 -0.363 30 20 DBED N#Cc1c[nH]c(C(=O)N2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 1010920858 LPPHQTUIAWMSIB-ZYHUDNBSSA-N 317.305 -0.164 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1[C@@H]2CN(C(=O)c3cnn[nH]3)C[C@@H]12 1013821869 SJLYJXJJEILQNZ-BFLSOPEQSA-N 317.349 -0.418 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CN2C(=O)CC(C)(C)C2=O)C1 1014436249 PWNFTWSHWYLHLT-GFCCVEGCSA-N 305.378 -0.015 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@]3(NC(=O)C(N)=O)CCC[C@@H]23)[nH]1 1014446921 SFKQZNXTULUWIB-IAQYHMDHSA-N 315.333 -0.375 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)C(F)F)C[C@H]2O)cn1 1024928234 UNCIQEVEGGQUGO-GHMZBOCLSA-N 309.272 -0.371 30 20 DBED C#CCN1CC(CNC(=O)c2ccc(=O)n(CCOC)c2)C1 1031809165 BORVRKRDVZXRSK-UHFFFAOYSA-N 303.362 -0.211 30 20 DBED CNC(=O)[C@@H](C)N1CCO[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1 1035331584 LYMNPCWMAWFHBZ-ZYHUDNBSSA-N 319.365 -0.549 30 20 DBED N#CCN1CCO[C@H](CNC(=O)c2cccc3ncnn23)C1 1035433937 GKBSUQLFKUXDJQ-LLVKDONJSA-N 300.322 -0.317 30 20 DBED C#CCN1CC2(CCN(C(=O)CN3C(=O)CN(C)C3=O)CC2)C1 1035849105 TWACMTFFKXLMPT-UHFFFAOYSA-N 318.377 -0.562 30 20 DBED COCCn1cc(C(=O)N2CC[C@H](NCC#N)[C@@H](C)C2)nn1 1036023482 SYRHCEXTXWZHCO-RYUDHWBXSA-N 306.370 -0.112 30 20 DBED C#CCN[C@@H]1CCN(C(=O)CN2C(=O)NC(=O)C2(C)C)C[C@@H]1C 1036247285 MVMWQDLBWHPJDU-NWDGAFQWSA-N 320.393 -0.223 30 20 DBED Cn1cnn(CC(=O)N2CC[C@H]3[C@@H](CCN3CC#N)C2)c1=O 1036753637 TZEIQSDSQTVZHO-RYUDHWBXSA-N 304.354 -0.972 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2[C@H]3C[C@H]2N(Cc2nc(O)n[nH]2)C3)nc1 1037690195 NFGDNGZNPQDWSE-SUHUHFCYSA-N 324.344 -0.111 30 20 DBED C=CCCOCC(=O)NC[C@@]1(O)CCN(C(=O)c2cnon2)C1 1040160575 DVRWNOGGYBFNAD-AWEZNQCLSA-N 324.337 -0.645 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)c2cccnc2)C1 1043033111 QWEPKHBKGGSFDJ-UHFFFAOYSA-N 317.345 -0.575 30 20 DBED C=CC(C)(C)CC(=O)NCC1(O)CN(C(=O)c2nnn(C)n2)C1 1043207018 JRRLDTVYFGTXJA-UHFFFAOYSA-N 322.369 -0.885 30 20 DBED C#CCCCCC(=O)N1CC(O)(CNC(=O)c2cnn[nH]2)C1 1043810264 OIHDLPPVWFEUIO-UHFFFAOYSA-N 305.338 -0.699 30 20 DBED Cc1ncoc1C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1043905098 KGVJVHLTFIDTKD-MNOVXSKESA-N 314.305 -0.376 30 20 DBED N#Cc1cccnc1N1C[C@H](O)[C@H](NC(=O)[C@@]2(F)CCOC2)C1 1044426166 LKWXUFAKULFGCM-TYNCELHUSA-N 320.324 -0.252 30 20 DBED C#CCN[C@H]1CCN(C(=O)CN2CCC(=O)NC2=O)[C@H](C)C1 1044815074 IJBVPKWNDIIYPX-NEPJUHHUSA-N 306.366 -0.469 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]1CNCc1nnn(C)n1 1045207597 AUXXFBNBPHQBQY-XQQFMLRXSA-N 320.397 -0.118 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)c2c[nH]nc2C2CC2)C1 1045546691 PRONYOSMXQLMQJ-SECBINFHSA-N 317.349 -0.250 30 20 DBED C#CCCN1CC[C@H](N2CCN(C(=O)Cn3cncn3)CC2)C1 1046080635 ASPZWKJXVRTQJI-HNNXBMFYSA-N 316.409 -0.480 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)CN2CCC(C)(C)C2)C1 1046695119 CQUTWTOCQAWDAP-LBPRGKRZSA-N 322.409 -0.433 30 20 DBED CC#CCN1C[C@H]2C[C@H](NC(=O)Cn3cnnc3O)C[C@H]1C2 1047054849 GIVDTHDLHGAKFT-RWMBFGLXSA-N 303.366 -0.024 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)Cc2cnn(C)c2C)C1 1047405906 BGYBGRYCKLDFMY-GJZGRUSLSA-N 304.394 -0.202 30 20 DBED C#CCN1C[C@H]2CN(C(=O)c3ccc(=O)n(CC)n3)C[C@H]2C1 1049118249 RVZJADFAJAFOIW-BETUJISGSA-N 300.362 -0.100 30 20 DBED C#CCN1C[C@H]2CN(C(=O)[C@@H]3CCCCN3C(N)=O)C[C@H]2C1 1049165183 IPJCFOSREAXMKH-MJBXVCDLSA-N 304.394 -0.057 30 20 DBED C=CCC(CC=C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C(N)=O)C1 1049365783 GNXSOCZCMSTCEC-RYUDHWBXSA-N 309.366 -0.730 30 20 DBED C#CCCN1CCOC[C@H]1CNC(=O)[C@H]1CN(CC)CCO1 1051252629 YIXMMGOEQZYXSX-HUUCEWRRSA-N 309.410 -0.453 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCCN(CC(=O)NC)CC2)nn1 1052775251 RSGUZOCCNCXEDH-GFCCVEGCSA-N 320.397 -0.206 30 20 DBED C[C@H](C(=O)N1CCOC2(CN(CC#N)C2)C1)[C@H]1CCC(=O)N1 1053442803 PSSHKYXSKNTFSA-NWDGAFQWSA-N 306.366 -0.662 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)[C@@H](C)n3cncn3)CO2)C1 1053782027 BIIUAGQJIMKHAF-OLZOCXBDSA-N 303.366 -0.178 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1COC2(C1)CN(CC#N)C2 1053833029 SWJOHEHQEZTPJV-KGLIPLIRSA-N 302.378 -0.433 30 20 DBED C#CCN[C@H]1CN(C(=O)c2coc(S(N)(=O)=O)c2)C[C@@H]1C 1054817116 YFYFMPHXAFEQOU-ONGXEEELSA-N 311.363 -0.390 30 20 DBED C=C[C@H](C)[C@@H](C)C(=O)NCCN1CCC(NC(=O)C(N)=O)CC1 1055618151 FTDDWXCNCWVQEY-NWDGAFQWSA-N 324.425 -0.373 30 20 DBED N#CCSCC(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)CC(N)=O 1056248960 SPQIGJNAXREDKY-GHMZBOCLSA-N 324.406 -0.290 30 20 DBED C=CCO[C@H](C)C(=O)NCCN(CCO)C(=O)c1cn(C)cn1 1057346455 AVTKITAPPMBDHY-GFCCVEGCSA-N 324.381 -0.438 30 20 DBED Cn1nncc1C(=O)N[C@H]1CCCN(c2ccnc(C#N)n2)C1 1058151946 HHLOMKWLQLBMSP-JTQLQIEISA-N 312.337 -0.124 30 20 DBED N#Cc1cnc(N2CCC[C@H](NC(=O)[C@H]3CCNC3=O)C2)cn1 1058221210 XRHBKZWTRNOUGZ-JQWIXIFHSA-N 314.349 -0.431 30 20 DBED N#Cc1nccnc1N1CC[C@H](NC(=O)c2cncnc2O)C1 1058476596 ZDJNRZINUNQAIS-VIFPVBQESA-N 311.305 -0.147 30 20 DBED N#Cc1cc(C(=O)NCC[C@@H]2CCN(C(=O)CC(N)=O)C2)c[nH]1 1059379388 QFYZVAUAXZSWAS-SNVBAGLBSA-N 317.349 -0.270 30 20 DBED C#CCOCCC(=O)N1CCOC[C@@H]1CNC(=O)C(F)F 1061177344 CJTUPGKTXPUJOA-JTQLQIEISA-N 304.293 -0.365 30 20 DBED C#CCOCCC(=O)N1CCOC[C@H]1CNC(=O)COCC 1061248846 ZKQKTLTYTQVPPO-CYBMUJFWSA-N 312.366 -0.594 30 20 DBED C=CCCC(=O)N1CCOC[C@H]1CNC(=O)CNC(=O)C1CC1 1061347162 YNWQXCPKVFZSOA-CYBMUJFWSA-N 323.393 -0.178 30 20 DBED Cc1cncn1CC(=O)NC[C@@H]1COCCN1C(=O)[C@@H](C)C#N 1061711305 HBYVBTPCGBXXCE-WCQYABFASA-N 319.365 -0.305 30 20 DBED C#CCCCC(=O)N1CCOC[C@H]1CNC(=O)[C@@H](C)CC(N)=O 1061749601 JCLSMXAEQPWUBS-QWHCGFSZSA-N 323.393 -0.355 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCOC[C@@H]1CNC(=O)c1cnon1 1061805876 BYTXODVMQUADIF-QWRGUYRKSA-N 324.337 -0.382 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](CN(C)c2nccn3nnnc23)C1 1062095517 AAEPJNKHTAZYHO-MNOVXSKESA-N 314.353 -0.036 30 20 DBED C=CCOCC(=O)NC1(CNC(=O)CN2CCCC2=O)CCC1 1062501733 CFRWYNGXHJAMLF-UHFFFAOYSA-N 323.393 -0.034 30 20 DBED C=CCO[C@@H](C)C(=O)NCC1(NC(=O)[C@@H]2CCNC2=O)CCC1 1063429201 XNFZBVBEAORRCA-NWDGAFQWSA-N 323.393 -0.131 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)[C@@H](C)S(C)(=O)=O)CCC1 1064309844 CFJKZOXSXDKTDB-NXEZZACHSA-N 315.395 -0.266 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H]1CCCN1C(=O)[C@@H]1COC(=O)N1 1064902819 WYFVLIQKEWHIAC-AAEUAGOBSA-N 315.333 -0.114 30 20 DBED C#CCCCCC(=O)N1CCO[C@@H](CNC(=O)CNC(C)=O)C1 1065060719 BSECBYDXDHSYMM-AWEZNQCLSA-N 323.393 -0.340 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CN(C(=O)COCC(F)F)CCO1 1065365201 BKLXMHULVKIGBO-UWVGGRQHSA-N 319.308 -0.229 30 20 DBED C=CCC1(C(=O)NC[C@H]2CN(C(=O)C(N)=O)CCO2)CCC1 1065550284 IJZKUSYMWPHVTQ-NSHDSACASA-N 309.366 -0.438 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@H](CNC(=O)Cc2cncn2C)C1 1065556918 LIWLFOACUGEKNF-DGCLKSJQSA-N 319.365 -0.534 30 20 DBED N#Cc1cncc(N2C[C@H](O)[C@H](CNC(=O)c3cnco3)C2)n1 1067689165 RFCCIOZTFYBOIZ-KOLCDFICSA-N 314.305 -0.437 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H]1CCC[C@H]2CN(C(=O)C(N)=O)C[C@H]21 1069318896 MKIKGLWGXWAQMW-ZKYQVNSYSA-N 313.361 -0.101 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC[C@]2(CCCN(C(=O)C(N)=O)C2)C1 1069776991 WIIDVAWLMXFDQB-HZPDHXFCSA-N 323.393 -0.360 30 20 DBED CC#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H]2CCCN2C)C1 1069902969 XLTCGGRLQCQGNN-KFWWJZLASA-N 316.409 -0.263 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)[C@@]2(F)CCOC2)CC1 1070991100 FKHIFEIVZQOKCX-OAHLLOKOSA-N 311.357 -0.601 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)c2oncc2C)CC1 1071011587 LULFLSAVDCKZHI-UHFFFAOYSA-N 304.350 -0.120 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)CC(=O)N(C)C)C[C@@H]1C 1072124416 AFNLZIRLOQXVKW-NWDGAFQWSA-N 311.382 -0.370 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)c2c(C)ncnc2O)C1 1073739590 XZTIKOUYNDIGDQ-GFCCVEGCSA-N 304.350 -0.055 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(C(=O)CNC(C)=O)C[C@@H]1C 1073816529 CPOUMWHHMACYEY-AAEUAGOBSA-N 311.382 -0.322 30 20 DBED CC(C)C#CC(=O)N1CC[C@H](NC(=O)c2nnn(C)n2)[C@H](C)C1 1074109150 HUPCNCJNAJNPAB-NEPJUHHUSA-N 318.381 -0.164 30 20 DBED CC#CCN1CCO[C@H]2CCN(C(=O)Cn3nccn3)C[C@@H]21 1074255235 BAYSISYCESLSTG-KBPBESRZSA-N 303.366 -0.397 30 20 DBED C=CCCC(=O)NCC1(O)CCN(C(=O)[C@@H]2CCC(=O)N2)CC1 1074655506 ORNPERPNOOQDNG-LBPRGKRZSA-N 323.393 -0.299 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(O)CCN(C(=O)[C@H](C)C#N)CC1 1074704710 HCHGDACUULQXTN-IUODEOHRSA-N 323.393 -0.057 30 20 DBED COC(=O)NCC(=O)N[C@@H](C)CCNC(=O)c1cc(C#N)c[nH]1 1076071791 XPGKMGXTAFXKBC-VIFPVBQESA-N 321.337 -0.133 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)C2CN(C(C)=O)C2)C1 1076931673 SVCDFWXIIJZUQY-VXGBXAGGSA-N 301.774 -0.622 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC(=O)N(C(C)C)C2)C1 1077083808 INPYOZXUNSZCQO-MGPQQGTHSA-N 309.410 -0.019 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCN(CC(N)=O)CC2)[C@H]2COC[C@H]21 1079228652 UOYOCKDQTBQUBU-RWMBFGLXSA-N 320.393 -0.429 30 20 DBED CCN(C(=O)CCc1cn(C)nn1)C1CN(C(=O)[C@H](C)C#N)C1 1080039537 YZUPALCPMOHKNP-LLVKDONJSA-N 318.381 -0.033 30 20 DBED C=CCCOCC(=O)N1CC(N(CC)C(=O)Cn2cncn2)C1 1080586815 PLVJCKONPQEGLJ-UHFFFAOYSA-N 321.381 -0.070 30 20 DBED Cc1cc2[nH]c(=O)c(C(=O)N[C@@H]3CN(CC#N)C[C@H]3C)cn2n1 1080619981 QQVOMPMGWHKUQG-BXKDBHETSA-N 314.349 -0.095 30 20 DBED C=C(Cl)CN1C[C@@H](NC(=O)CN2CC(=O)NC2=O)[C@H](C)C1 1080634824 NGOGRJZZEAQVDL-PSASIEDQSA-N 314.773 -0.273 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cnccn2)C1 1081205639 UAKGGVJKSXWKEA-WCQYABFASA-N 320.349 -0.772 30 20 DBED C#CCOCCC(=O)N1C[C@H](O)[C@H](CNC(=O)CSC)C1 1081236945 IVULWVBTMZPJAZ-NEPJUHHUSA-N 314.407 -0.675 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H](CNC(=O)CCCC)[C@@H](O)C1 1081270829 MSDPPIFEGTXYQQ-STQMWFEESA-N 323.393 -0.748 30 20 DBED C#CCOCCC(=O)N1C[C@H](CNC(=O)/C=C/C2CC2)[C@@H](O)C1 1081382971 QQWKNSFVKSXWCE-WHJWBVKISA-N 320.389 -0.072 30 20 DBED C=CCOCC(=O)N1C[C@H](CNC(=O)Cc2cnoc2)[C@@H](O)C1 1081677147 MIFKMIZBANAXIU-STQMWFEESA-N 323.349 -0.645 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CCc2nncn2C1 1083283343 VYVWGWKVVPMOAU-RWMBFGLXSA-N 316.365 -0.724 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CN(C[C@@H]3CCOC3)C[C@@H]2O)nn1 1083843770 YOECNSYEXWWASC-SCRDCRAPSA-N 321.381 -0.725 30 20 DBED C[C@@H](C[C@@H](C)Nc1cnc(C#N)cn1)NC(=O)c1nnn(C)n1 1089449547 IMMQMDFBNZFRPG-BDAKNGLRSA-N 315.341 -0.119 30 20 DBED CNC(=O)CC(=O)N1CC[C@H]2CN(c3nccnc3C#N)C[C@H]21 1090309882 ONRMSJRWSZWXQP-CMPLNLGQSA-N 314.349 -0.479 30 20 DBED Cc1nc2nccc(C(=O)N[C@@H]3CCN(CC#N)C[C@@H]3O)n2n1 1090724440 JIDSBWRKCSCPOR-PWSUYJOCSA-N 315.337 -0.879 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@@H]2CN(c3cnc(F)cn3)C[C@@H]12 1093267096 URCDQXSGHQOQTE-NXEZZACHSA-N 317.324 -0.694 30 20 DBED CCc1nc(C#N)cc(NCCNC(=O)Cn2ncnn2)n1 1093889706 JTSGZBNORYWCMY-UHFFFAOYSA-N 301.314 -0.875 30 20 DBED CC[C@@]1(C(=O)NCCN=c2cc[nH]c(C#N)n2)CCNC1=O 1094219021 OOWLZNUMKBCUCT-CQSZACIVSA-N 302.338 -0.785 30 20 DBED CN1CCOC[C@@H]1C(=O)NCCCNc1cnc(C#N)cn1 1094395175 FEUMYVLHEKISRT-GFCCVEGCSA-N 304.354 -0.403 30 20 DBED N#Cc1nc(=NCCCNC(=O)C[C@H]2CCNC2=O)cc[nH]1 1094617982 XHSCDNPDXKBTPN-SNVBAGLBSA-N 302.338 -0.785 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)c3c(C)n[nH]c3C)CC2=O)C1 1094798541 YVOMWVZXIJQIOU-GFCCVEGCSA-N 315.377 -0.325 30 20 DBED CC(=O)NCC(=O)N1CC[C@@H](N(C)c2cncc(C#N)n2)C1 1095089881 GYDOBCAJRZIGBO-GFCCVEGCSA-N 302.338 -0.479 30 20 DBED CN(CCCNC(=O)[C@H]1CCC(=O)N1C)c1nccnc1C#N 1095706859 GOMZHSDKLUYZHE-GFCCVEGCSA-N 316.365 -0.088 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1 1096006829 SULRPTUSDXPNHI-FQKPHLNHSA-N 319.405 -0.023 30 20 DBED CN(C)C(=O)CC(=O)N[C@@H]1CCN(c2ccc(C#N)nn2)C1 1096488698 QZMLPUZZPGSGNL-LLVKDONJSA-N 302.338 -0.479 30 20 DBED CC(=O)N[C@H](C)C(=O)N1CC[C@H](Nc2cncc(C#N)n2)C1 1096913844 VLTVMQFTDCGMOJ-KOLCDFICSA-N 302.338 -0.114 30 20 DBED Cc1cc(C#N)nc(N2CCC[C@@H](CNC(=O)C(N)=O)C2)n1 1097339546 NYYVPJFQNHHXKR-JTQLQIEISA-N 302.338 -0.525 30 20 DBED C[C@@H](CNC(=O)C1CS(=O)(=O)C1)Nc1ccc(C#N)cn1 1098071125 NNGWLFHYNCNKSM-VIFPVBQESA-N 308.363 -0.086 30 20 DBED COc1cc(C(=O)N2CCC(N(CC#N)CCO)CC2)nn1C 1098423827 GIUBFZRWWOBPFF-UHFFFAOYSA-N 321.381 -0.149 30 20 DBED C#CCN(CCO)C1CCN(C(=O)COCCOCC)CC1 1098575264 ITGUCIYXMVNJCV-UHFFFAOYSA-N 312.410 -0.042 30 20 DBED C#CCNCc1cn([C@@H]2CCN(C(=O)[C@@]3(F)CCOC3)C2)nn1 1098706008 OVCFFVGMIHSKIM-UKRRQHHQSA-N 321.356 -0.097 30 20 DBED CN(C)C(=O)CC(=O)N1CC[C@H](n2cc(CNCC#N)nn2)C1 1098746189 RMVPEQJXYCOFRI-LBPRGKRZSA-N 319.369 -0.857 30 20 DBED C[C@H](CCNC(=O)CCNC(N)=O)N=c1cc[nH]cc1C#N 1099140568 DRHKYJUQJFNAIZ-SNVBAGLBSA-N 304.354 -0.260 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2cnn(C)c2C)[C@@H](O)C1 1099663956 WNQSSPORKHIHIB-GJZGRUSLSA-N 320.393 -0.457 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)Cc2ccon2)[C@H](O)C1 1099745161 ZVTSPZAZZCEKAK-ZIAGYGMSSA-N 307.350 -0.582 30 20 DBED C=CCCCN1CC[C@@H](NC(=O)c2cn(C)c(=O)cn2)[C@H](O)C1 1099924279 RBJANMXSBOQYPN-TZMCWYRMSA-N 320.393 -0.089 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)CCc2cnn(C)n2)[C@@H](O)C1 1100009141 STHJWLYIFJETCP-KBPBESRZSA-N 307.398 -0.125 30 20 DBED CC#CCN1CC[C@H](NC(=O)CCCN(C)C(C)=O)[C@@H](O)C1 1100092921 UTZXSZQJPAAYRY-GJZGRUSLSA-N 309.410 -0.180 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)[C@H](C)OCC#C)C1 1100322007 AAKXOSZIKICCTM-HSBZDZAISA-N 305.378 -0.742 30 20 DBED CN1C[C@H](C(=O)NCCN(C)c2ccnc(C#N)n2)CC1=O 1100384027 WOILTIBOTGICTQ-SNVBAGLBSA-N 302.338 -0.621 30 20 DBED CC(=O)N(C)CC(=O)NC[C@@H]1CCCN1c1ccnc(C#N)n1 1100790080 VHQOUXHUROJNCK-LBPRGKRZSA-N 316.365 -0.088 30 20 DBED COCCOCC(=O)NC[C@H]1CCN(c2ccnc(C#N)n2)C1 1100950428 TYZPKANBKJUMLZ-GFCCVEGCSA-N 319.365 -0.046 30 20 DBED CS(=O)(=O)CC(=O)NC[C@H]1CCN(c2ccncc2C#N)C1 1100962033 TZRCAEGYPFNMKV-LLVKDONJSA-N 322.390 -0.060 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H]1CCN(c2ccnc(C)n2)C1 1100973523 GVKOVHMUKBZPEX-ZDUSSCGKSA-N 315.377 -0.133 30 20 DBED CN(C)C(=O)CC(=O)NC[C@@H]1CCN(c2ccc(C#N)nn2)C1 1101061182 UQSPAYHFZAIHSE-NSHDSACASA-N 316.365 -0.231 30 20 DBED CN(CCN=c1cc[nH]cc1C#N)C(=O)C(=O)NCC(F)F 1101852697 KTXAYFBGLOFQJT-UHFFFAOYSA-N 311.292 -0.373 30 20 DBED C[C@H](CC(N)=O)C(=O)N(C)[C@@H]1CCN(c2cncc(C#N)n2)C1 1102752341 FOQTVLQXUBMPQT-ZYHUDNBSSA-N 316.365 -0.103 30 20 DBED C[C@H](CNC(=O)CN1CCOCC1)CNc1ccc(C#N)nn1 1103914319 GISQSRYVQXGCOQ-LBPRGKRZSA-N 318.381 -0.155 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CN(c2nccn3nnnc23)CCO1 1104301480 GCDJDBMCOIMLDO-ZJUUUORDSA-N 316.325 -1.000 30 20 DBED CC#CCNCc1cn(C2CN(C(=O)c3cnn(C)c3)C2)nn1 1105152759 GCLUSCRARZICKG-UHFFFAOYSA-N 313.365 -0.178 30 20 DBED C=C(C)CNCc1cn(C2CN(C(=O)[C@H]3COCCO3)C2)nn1 1105165471 OXNAUCJPMYPSTG-CQSZACIVSA-N 321.381 -0.258 30 20 DBED CNC(=O)CCCC(=O)NC[C@H](O)CNc1ccc(C#N)nc1 1105795276 XOBYJXAOATWPEH-CYBMUJFWSA-N 319.365 -0.241 30 20 DBED Cc1nc(C(=O)NC[C@H](O)CN=c2cc[nH]c(C#N)n2)co1 1105799167 WINLTJMEQZRTOA-SECBINFHSA-N 302.294 -0.731 30 20 DBED N#Cc1cccnc1NC[C@@H](O)CNC(=O)C[C@@H]1CCC(=O)N1 1105894660 QXVSFQIBARCCOM-RYUDHWBXSA-N 317.349 -0.489 30 20 DBED C[C@@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)[C@H]1CC(=O)N(C)C1 1106613542 JIQILMSBPGCNKC-QWRGUYRKSA-N 316.365 -0.445 30 20 DBED C=CCOCCCC(=O)NCc1cn(C2CN(CCO)C2)nn1 1107153014 OGABEGKTZRZNDT-UHFFFAOYSA-N 323.397 -0.274 30 20 DBED C[C@]1(C(=O)NC/C=C/CNc2nccnc2C#N)CNC(=O)C1 1107421117 ACJKWBWZWJSKNP-XYBNCVKDSA-N 314.349 -0.041 30 20 DBED N#Cc1cncc(NC/C=C\CNC(=O)[C@@H]2CC[C@H]2C(N)=O)n1 1107451935 NXPPVYLYMIWRLX-JZIZGNRHSA-N 314.349 -0.056 30 20 DBED Cc1cc(=NC/C=C\CNC(=O)[C@@H]2CCNC2=O)c(C#N)c[nH]1 1107452106 PRXBKGWZSAKHPR-ZRMMWKCHSA-N 313.361 -0.096 30 20 DBED CC(C)C#CC(=O)NC[C@]1(C)CN(Cc2nc(O)n[nH]2)CCO1 1107926846 OJPWTPPBMQKNEF-OAHLLOKOSA-N 321.381 -0.123 30 20 DBED CNC(=O)C1(C(=O)N[C@@H](C)CNc2cncc(C#N)n2)CC1 1108440349 SVGSHQVGVKJXCR-VIFPVBQESA-N 302.338 -0.209 30 20 DBED C=C(C)CN1CCO[C@](C)(CNC(=O)C[C@@H]2CC(=O)NC2=O)C1 1108446723 HIGKFNBZPNONKZ-MLGOLLRUSA-N 323.393 -0.178 30 20 DBED C#CCCN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN1CC(=O)NC1=O)C2 1108779874 XDJZJTMBJFMKHK-XQQFMLRXSA-N 318.377 -0.469 30 20 DBED Cc1nsc(N(C)C[C@H](C)NC(=O)Cn2cnnn2)c1C#N 1108850487 OIWBQPAHJNGOCD-QMMMGPOBSA-N 320.382 -0.049 30 20 DBED C#CCNC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCOC 1108853211 LZXKIGXRQYJEOP-MQYQWHSLSA-N 307.394 -0.118 30 20 DBED CCC(=O)NCC(=O)N[C@@H]1[C@H]2C[C@H]1N(c1ccnc(C#N)n1)C2 1109703121 ZFALSBANRKRIPL-FEUHOPSXSA-N 314.349 -0.432 30 20 DBED CCO[C@H](C)C(=O)NC[C@@]1(O)CCN(c2cnc(C#N)cn2)C1 1111029568 MGCHHQXZMWKDNR-ABAIWWIYSA-N 319.365 -0.169 30 20 DBED C=CCCC(=O)NC[C@@]1(O)CCN(c2ccc3nnnn3n2)C1 1111045085 BTNJXDJRDXPLBD-AWEZNQCLSA-N 317.353 -0.457 30 20 DBED N#Cc1cncc(N2C[C@H]3C[C@@H](NC(=O)CC(N)=O)C[C@H]2C3)n1 1111154289 XMOGCYIZYXPHGY-HOSYDEDBSA-N 314.349 -0.303 30 20 DBED N#Cc1nc(=NCCN(CCO)C(=O)c2ccccn2)cc[nH]1 1111420895 XXNCLPMFAXEACP-UHFFFAOYSA-N 312.333 -0.288 30 20 DBED CN(CCCN(C)c1cnc(C#N)cn1)C(=O)[C@H]1COC(=O)N1 1112074971 DVDBSWYQLHQAGK-LLVKDONJSA-N 318.337 -0.259 30 20 DBED CN(CCCN(C)c1cnc(C#N)cn1)C(=O)Cn1nccn1 1112129988 SJYVVQXHASLIDW-UHFFFAOYSA-N 314.353 -0.075 30 20 DBED C[C@H](CNC(=O)[C@H]1CCC(=O)N1)N(C)c1cnc(C#N)cn1 1113543232 QTHYASSIWXOKRN-MWLCHTKSSA-N 302.338 -0.432 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H](C)N(C)c1ccc(C#N)nn1 1113567040 HUDQBXFEACOPPT-NSHDSACASA-N 314.349 -0.571 30 20 DBED C#CCOCCC(=O)NC1[C@@H]2CN([C@H]3CCCNC3=O)C[C@@H]12 1114266803 XBXMOBLQDGJWIU-UPJWGTAASA-N 305.378 -0.649 30 20 DBED N#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3csc(O)n3)[C@H]2C1 1114712309 JCHSAMHCYZTKRO-VROVMSAKSA-N 321.362 -0.852 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)CN3CC[C@@H](C)C3)[C@H]2C1 1114832143 MDALRNLYFWXFOY-WVZRYYJFSA-N 320.437 -0.323 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3cc(Cl)no3)[C@H]2C1 1115150185 QOVBSVLHTXVEQS-WOFXILAISA-N 322.752 -0.263 30 20 DBED CN(CCOCCNC(=O)c1cc[nH]n1)c1ccnc(C#N)n1 1115170993 FTIYVMIYIKMMBC-UHFFFAOYSA-N 315.337 -0.046 30 20 DBED C=CCN(C(=O)C(=O)N1CC[C@@](C)(C(N)=O)C1)[C@@H](C)COC 1118532173 VOBHBZMWPXCJCV-XHDPSFHLSA-N 311.382 -0.240 30 20 DBED C[C@@H]1CN(C(=O)C(=O)N2CCN(CCC#N)CC2)CC[C@@H]1O 1118969782 VFVMMYUYIZXAQK-OLZOCXBDSA-N 308.382 -0.726 30 20 DBED C#CCOCCNC(=O)N1CCC(n2cc(C(N)=O)nn2)CC1 1119149647 IHBBMDCPHPSBCM-UHFFFAOYSA-N 320.353 -0.627 30 20 DBED Cc1c(C(=O)NC[C@@H](CO)Nc2cncc(C#N)n2)cnn1C 1121044834 ULAJLOTVQGOQTJ-NSHDSACASA-N 315.337 -0.407 30 20 DBED CC[C@@H](SC)C(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1 1121455967 SZDDTUCEMZKIRG-NXEZZACHSA-N 309.395 -0.199 30 20 DBED N#Cc1c(F)cccc1N[C@H](CO)CNC(=O)[C@@H]1CCC(=O)N1 1121817479 AMBKVBKJXAVVHB-ZANVPECISA-N 320.324 -0.135 30 20 DBED C#CCOCCC(=O)NC[C@@H](CO)Nc1cc(OCC)ncn1 1122027163 GBRQRIOSWAOBFO-LBPRGKRZSA-N 322.365 -0.196 30 20 DBED Cc1cc(NC(=O)CNCCNC(=O)CSCC#N)on1 1123787944 YHWXQGSISBVGQF-UHFFFAOYSA-N 311.367 -0.116 30 20 DBED CO[C@H](C)CC(=O)N(C)C[C@H](O)CN=c1cc[nH]c(C#N)n1 1124148786 FELXJTUTLBJDHP-GHMZBOCLSA-N 307.354 -0.574 30 20 DBED CS(=O)(=O)CC(=O)NCCNCC#Cc1ccc(F)cc1 1124361663 ACKCQYXAYZTSRW-UHFFFAOYSA-N 312.366 -0.072 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)[C@@H](CC)OCC 1124387470 UHWWEYVQJNEJHU-LLVKDONJSA-N 314.386 -0.481 30 20 DBED C[C@H](CC(N)=O)C(=O)N(C)C[C@H](O)CNc1nccnc1C#N 1124688743 KDCVZJNTKDRODA-NXEZZACHSA-N 320.353 -0.909 30 20 DBED CN(C[C@@H](O)CN(C)c1ccc(C#N)nn1)C(=O)c1cn[nH]c1 1125030380 XAUYMUITIBHLNH-LBPRGKRZSA-N 315.337 -0.359 30 20 DBED COC[C@@H](C)OC[C@@H](O)CNCCNC(=O)c1c[nH]c(C#N)c1 1125988077 KXOUZAGXYDVJIS-RISCZKNCSA-N 324.381 -0.382 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)CCn2ccnn2)C1=O 1126270590 UIDZIOFKNQBNIY-GFCCVEGCSA-N 306.370 -0.839 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)c1nccn1CC 1126412823 GBTLIVCCAMJCCB-UHFFFAOYSA-N 320.397 -0.015 30 20 DBED CC(C)C#CC(=O)NCCNCc1nnnn1C1CCOCC1 1126815843 NZTFSCKOJCBZHX-UHFFFAOYSA-N 320.397 -0.110 30 20 DBED CCS(=O)(=O)NCCNCCNC(=O)C#CC(C)(C)C 1126916337 SWYPHKDTFUSWLR-UHFFFAOYSA-N 303.428 -0.319 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1cn(C)nc1C1CC1 1128351966 VIUTUXUMNBZMHC-NSHDSACASA-N 317.393 -0.245 30 20 DBED C=C(C)CCC(=O)NCCNCC(=O)N[C@H](C)C(=O)N(C)C 1128418911 XETFCJMCKONVHX-GFCCVEGCSA-N 312.414 -0.359 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)[C@H]1CC(=O)N(C)C1 1128672919 JPYBVUJJXRERMX-ZDUSSCGKSA-N 322.409 -0.629 30 20 DBED C=CCNC(=O)CNCCNC(=O)Cc1cnn2ccccc12 1129719013 XHCPFXOYCWFJQL-UHFFFAOYSA-N 315.377 -0.115 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CCc2nccn2C1 1130481568 WILUWJRTUYDMNZ-QWHCGFSZSA-N 317.393 -0.711 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1cn(CC)nc1C 1134507827 IQJWXLARAJSWNU-LBPRGKRZSA-N 305.382 -0.331 30 20 DBED C=CCCN[C@H](C)C[C@@H](C)NC(=O)CNS(=O)(=O)NC 1135117993 GENLBHTUPVNSNU-GHMZBOCLSA-N 306.432 -0.511 30 20 DBED C#Cc1ccc(C(=O)NCCN[C@@H](C)C(=O)NC(=O)NC)nc1 1148377457 XIBWIXMYNVLWJA-JTQLQIEISA-N 317.349 -0.774 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)[C@]2(C)CCC(=O)NC2)C1 1150159957 SVBCWUWLXYDJHO-CZUORRHYSA-N 307.394 -0.257 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)C1(COC)CC1 1154295920 LWTBCHRDIGTKTE-GFCCVEGCSA-N 310.398 -0.121 30 20 DBED CCN(CC#N)[C@H](C)CNC(=O)C[C@]1(C)CCS(=O)(=O)N1 1156612880 PJUDBGBQMYUVNA-YPMHNXCESA-N 316.427 -0.192 30 20 DBED C#CCNC(=O)CC(=O)NCCCNCc1nccc(C)n1 1156857488 QGSXFCTZQSBYDJ-UHFFFAOYSA-N 303.366 -0.480 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)c1cnnc(C)c1 1157093318 BLDYRWFFUTYEQP-LBPRGKRZSA-N 303.366 -0.368 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)C1CN(C(C)=O)C1 1157127416 JDRNFVHOVZLMCO-LLVKDONJSA-N 310.398 -0.749 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@@H](C)Oc1cccnc1 1166342323 QNZKYVCUTJZKLF-CYBMUJFWSA-N 318.377 -0.306 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@@H](C)OCCOCC 1176865895 ANKGFTMCZGATKF-CYBMUJFWSA-N 313.398 -0.727 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)CCc2cnc[nH]2)C1 1183115565 IMZJACZGKQREHM-CYBMUJFWSA-N 305.382 -0.165 30 20 DBED CC(=O)N1CCOC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(CNCC#N)C1 1183466107 ZLXYDKODNLQSPR-IVMMDQJWSA-N 322.409 -0.169 30 20 DBED CC(=O)N(C)CCCC(=O)N1CC[C@@H](NCC(=O)NCC#N)C1 1187450085 IAGHOVIKQHBSAV-CYBMUJFWSA-N 323.397 -0.925 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H]2CN(CCC[C@@H](C)O)C[C@H]21 1187591236 ICXGTBFXTCJPDR-QLFBSQMISA-N 321.421 -0.180 30 20 DBED COCC#CCN(C)[C@@H]1CCN(C(=O)[C@@H]2CCCNC2=O)C1 1190790274 XXVCDRKQJKPRIP-ZIAGYGMSSA-N 307.394 -0.305 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)COC(C)(C)C)C1 1192374717 IVAVQQMRONBSLU-VXGBXAGGSA-N 313.398 -0.735 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)[C@H](CC)NC(C)=O)C1 1192464651 QRRFEVSSPVQVCV-KGLIPLIRSA-N 324.425 -0.264 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(Cc2nccn2C)C[C@H]1O 1192525446 UVTYHUOKPAQWKN-JMSVASOKSA-N 308.382 -0.592 30 20 DBED C=CCNC(=O)[C@@H](C)N(C)[C@@H]1CCN(C(=O)c2nc[nH]n2)C1 1192934184 ZVHBKHULXLCJFL-GHMZBOCLSA-N 306.370 -0.358 30 20 DBED C=CCC[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)CN2CCCNC2=O)C1 1194391384 OWAQREJZWFURFN-MGPQQGTHSA-N 324.425 -0.082 30 20 DBED COCC#CCN1CCCN(C(=O)[C@H]2CN(C)CCO2)CC1 1195404230 NXRASBHSZHORJX-OAHLLOKOSA-N 309.410 -0.499 30 20 DBED COCC#CCN1CCCN(C(=O)C[C@@H]2CCNC2=O)CC1 1196155005 IXFWOTLFJXLQHF-AWEZNQCLSA-N 307.394 -0.303 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)c2cncnc2O)CC1 1196242997 TWBRMVVDBHEION-UHFFFAOYSA-N 317.349 -0.921 30 20 DBED Cc1cc(C)n(CCCC(=O)N[C@@H]2CN(CC#N)C[C@H]2O)n1 1196489794 IJAWKRGIYORNLD-ZIAGYGMSSA-N 305.382 -0.035 30 20 DBED C=CCCCN1CCCN(C(=O)C[C@H](NC(C)=O)C(N)=O)CC1 1197353567 DJGPSOPHDISNTJ-AWEZNQCLSA-N 324.425 -0.133 30 20 DBED C#CCN[C@H](CNC(=O)[C@@H]1CNC(=O)N1)c1ccccc1OC 1198875835 KECHSPGXFPMILC-OLZOCXBDSA-N 316.361 -0.243 30 20 DBED C=CCOCCNC1CCN(C(=O)C[C@H]2CC(=O)NC2=O)CC1 1204157539 VSHOLIHLHPVACN-GFCCVEGCSA-N 323.393 -0.178 30 20 DBED N#CCSCC(=O)N1CCC[C@@H](NCC(=O)NC(N)=O)C1 1207409897 LEPVSTVDUSVHKJ-SECBINFHSA-N 313.383 -0.981 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)C2=CCOCC2)C1 1207880163 FNUOFINEDVIAGZ-AWEZNQCLSA-N 305.378 -0.337 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)c2[nH]nnc2C)[C@H](C)C1 1208275512 JTBURUGFMIBGSO-ADEWGFFLSA-N 320.397 -0.146 30 20 DBED COCC#CCN1C[C@@H](NC(=O)C2(COC)CC2)[C@H](OC)C1 1213163752 AEWMYUXWVIPHSN-ZIAGYGMSSA-N 310.394 -0.122 30 20 DBED C#CCN1C[C@@H](NC(=O)C(C)(C)S(C)(=O)=O)[C@H](OC)C1 1213506367 IZELRJCJJJHGBF-GHMZBOCLSA-N 302.396 -0.742 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)c2cncnc2C)C[C@H]1C 1214204410 DCURUDNTSUPUGN-BXUZGUMPSA-N 315.377 -0.415 30 20 DBED C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1NCCOCCO 1214450158 KMGKQBYTEDSLGH-BXUZGUMPSA-N 306.366 -0.055 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H](C)C1CC1 1217600599 GQIZSTOTTFHRQJ-VHDGCEQUSA-N 319.405 -0.307 30 20 DBED N#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C[C@@H]2C=CCC2)C1 1219155406 FMEFMJVYYXDVOD-UPJWGTAASA-N 306.366 -0.856 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(Cc2cn(CC)nn2)C[C@@H]1O 1219536137 LLHNENOSZZKGDN-IPYPFGDCSA-N 323.397 -0.714 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2conc2CC)C[C@@H]1O 1219605445 RYBSYXQVCCVFLS-GLQYFDAESA-N 321.377 -0.063 30 20 DBED C=CCCCN1C[C@H](O)[C@H](NC(=O)CCNS(C)(=O)=O)C1 1219734997 ONCUMVSIATZOHN-NEPJUHHUSA-N 319.427 -0.947 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)c2cc(F)c[nH]2)C1 1220024718 YSRMLIYDJULYHB-BIMULSAOSA-N 322.340 -0.933 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)c2cc(F)c[nH]2)C1 1220026651 ZQIMUSRFFASDMS-WQAKAFBOSA-N 324.356 -0.381 30 20 DBED C#CCCN1CC[C@@H]2CN(C(=O)CCCS(N)(=O)=O)[C@@H]2C1 1221782455 CKCWEEODWJMJMV-CHWSQXEVSA-N 313.423 -0.389 30 20 DBED C[C@@H]1CN=C(NN=C2CCCc3nc(O)c(C(N)=O)cc32)N1 1257176964 QEHFTWZFWLUOGX-SSDOTTSWSA-N 302.338 -0.136 30 20 DBED N#CC1(CS(=O)(=O)NCCCN2C(=O)CNC2=O)CC1 1320260329 WOWKZSQJVPVEDZ-UHFFFAOYSA-N 300.340 -0.849 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)NCCOC[C@H]2CCCO2)CCO1 1321976995 VWFPIMNDRVXFPS-VXGBXAGGSA-N 311.338 -0.951 30 20 DBED C=CC1CCN(C(=O)C(=O)NC[C@@H]2CN(C)CCN2C)CC1 1323405750 YRRFYJIOQISGAV-CQSZACIVSA-N 308.426 -0.227 30 20 DBED C=CCN(C(=O)C(=O)NCCS(=O)(=O)CC=C)C1CC1 1323728707 RTNRWWHHEZLYDM-UHFFFAOYSA-N 300.380 -0.120 30 20 DBED C=C(C)COCCNC(=O)C(=O)N[C@@H](C)[C@@H]1CN(C)CCO1 1323863311 KYPZAYSLAKRONL-STQMWFEESA-N 313.398 -0.469 30 20 DBED N#CCC1(CNC(=O)C(=O)NCc2ccc(C(N)=O)o2)CC1 1327223012 XMKBXDORCQQKBN-UHFFFAOYSA-N 304.306 -0.195 30 20 DBED CC#CC[C@@H](CO)NC(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1 1329555457 UIZDLJBYSZBEGJ-GXFFZTMASA-N 323.374 -0.393 30 20 DBED NC(=O)C1(NC(=O)CCN/C(O)=C2/N=CC=CC2=O)CCCC1 1330360172 RKWSIMVQFIEHOU-SEYXRHQNSA-N 320.349 -0.183 30 20 DBED COCCCN(CCOC)C(=O)C(=O)N1CCO[C@H](C#N)C1 1331014649 XNADVXVHJFJDMR-GFCCVEGCSA-N 313.354 -0.751 30 20 DBED C#CC1(O)CN(C(=O)NCc2ccccc2NS(C)(=O)=O)C1 1334142716 ZUPMTOJQCPEBTM-UHFFFAOYSA-N 323.374 -0.052 30 20 DBED C#CCCn1nnnc1N1CCC(N(C)S(C)(=O)=O)CC1 1334410900 ZGLNWSYAMOUTBR-UHFFFAOYSA-N 312.399 -0.443 30 20 DBED CCN(CCC(=O)NC)C(=O)C(=O)N1CCN(CCC#N)CC1 1336545085 NISATWZPJRJYOP-UHFFFAOYSA-N 323.397 -0.971 30 20 DBED CCN1CCO[C@H](C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1 1339747301 PVEACGUVKBVEIY-AHAXBBEGSA-N 322.365 -0.650 30 20 DBED CN(C)C[C@@](C)(C#N)NC(=O)C1CCN(S(C)(=O)=O)CC1 1343704165 HPIQITGXXRSYQS-CYBMUJFWSA-N 316.427 -0.382 30 20 DBED CC[C@@H](CC#N)NC(=O)C(=O)Nc1c(C(=O)OC)cnn1C 1347667318 VEPOVVRIXQPMQM-QMMMGPOBSA-N 307.310 -0.046 30 20 DBED CCN(CC)[C@@H]1CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)C1 1362348485 YUAAJSGRDUWSMZ-GFCCVEGCSA-N 319.365 -0.237 30 20 DBED Cc1n[nH]c(C)c1CNC(=O)CCn1cc(C#N)c(O)nc1=O 1362890957 BTQFYZXRKGHQQI-UHFFFAOYSA-N 316.321 -0.133 30 20 DBED C=C(Cl)CN[C@H]1CCN(C(=O)CNC(=O)CNC(C)=O)C1 1366381466 NVRIWPYIKGPVLL-NSHDSACASA-N 316.789 -0.818 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(Cc2nnc3n2CCCC3)C1 1368291262 SMEXPVPJDHHCSF-NSHDSACASA-N 318.381 -0.563 30 20 DBED C[C@H](CNC(=O)[C@H](C)C#N)NC(=O)c1cccn2c(O)nnc12 1373075513 SKSBYHMKBQRDCP-RKDXNWHRSA-N 316.321 -0.171 30 20 DBED Cn1nncc1C(=O)NC[C@@H](O)CNCc1ccccc1C#N 1379200512 TWTBVAJAFKPHTG-ZDUSSCGKSA-N 314.349 -0.433 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)CCc1cncnc1 1389101290 AMRAUCZLPQXDNW-PWSUYJOCSA-N 305.338 -0.838 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(CC(=O)NCc2ccco2)C1 1393302480 JNBYEEGGMMFCGI-NSHDSACASA-N 320.349 -0.782 30 20 DBED C[C@@H](C#N)C(=O)NC[C@]1(C)CCN(C(=O)c2cnn(C)n2)C1 1394443682 VKTSCABOSMQCPD-HZMBPMFUSA-N 304.354 -0.057 30 20 DBED COCCC(=O)NC[C@H](O)CN(C)C(=O)c1cc(C#N)c[nH]1 1395997730 MHKYKTQUWADRMI-NSHDSACASA-N 308.338 -0.528 30 20 DBED COCC(=O)NCCC(=O)N[C@H]1CCN(C(=O)[C@@H](C)C#N)C1 1396919019 VUKCWNFPCYKMLJ-QWRGUYRKSA-N 310.354 -0.984 30 20 DBED C[C@H](CNC(=O)[C@H](C)C#N)NC(=O)c1ccc(C(N)=O)cn1 1408307223 KTBSGVPECVYLJN-RKDXNWHRSA-N 303.322 -0.425 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@](C)(NC(=O)CCn2ccnn2)C1 1410973233 HFZRTMMMZIZKHU-RISCZKNCSA-N 304.354 -0.065 30 20 DBED COc1cccc(CC(=O)NC[C@H](O)CNC(=O)[C@H](C)C#N)c1 1416783053 UXVBVKFOFHPJKW-YPMHNXCESA-N 319.361 -0.009 30 20 DBED CC[C@@H]1CC[C@@H](C(=O)NCCn2cc(C#N)c(O)nc2=O)O1 1418535858 DKKDOQYBOUKGBB-MNOVXSKESA-N 306.322 -0.106 30 20 DBED C[C@H](C#N)C(=O)NCCN1CCN(C(=O)c2cnns2)CC1 1429796425 HQIKDGNNMQPAFM-SNVBAGLBSA-N 322.394 -0.428 30 20 DBED C[C@@H](O)CN(CC(F)F)C(=O)Cn1cc(C#N)c(O)nc1=O 1433995646 UHRDZZZMPBMTBW-SSDOTTSWSA-N 316.264 -0.705 30 20 DBED Cn1cnc(C(=O)NC[C@@H](O)CNCc2cccc(C#N)c2)n1 1438980888 HRFPYJXPEJPYBG-ZDUSSCGKSA-N 314.349 -0.433 30 20 DBED COC(=O)NCC(=O)N(C)CCN(C)C(=O)c1ccc(C#N)[nH]1 1452072278 HKBNKAZSHXIANH-UHFFFAOYSA-N 321.337 -0.227 30 20 DBED C[C@H](CS(C)(=O)=O)C(=O)N1CCN(C(=O)[C@H](C)C#N)CC1 1453483612 BNATZKVDITZHRK-GHMZBOCLSA-N 315.395 -0.502 30 20 DBED COC(=O)C[C@H](C)C(=O)NCCn1cc(C#N)c(O)nc1=O 1470360934 MFBDVGMQBCBKJL-QMMMGPOBSA-N 308.294 -0.864 30 20 DBED C[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H]1CCN(CC(=O)NCC#N)C1 1479965792 OETROEYWIUWGHY-NWDGAFQWSA-N 318.381 -0.581 30 20 DBED COCC#CCN1CCC[C@@H](NC(=O)[C@]2(C)CCNC2=O)C1 1490449306 YKJMTSYKCISVQW-CZUORRHYSA-N 307.394 -0.257 30 20 DBED C[C@@H](C#N)C(=O)N(CCNC(=O)CN1CCCNC1=O)C1CC1 1529800781 OPIZYPPSHBPYCI-NSHDSACASA-N 321.381 -0.331 30 20 DBED COCC#CCN[C@@H](C)CCNC(=O)CC[C@H]1NC(=O)NC1=O 1567238313 SIAHMHCMXFPHKC-NWDGAFQWSA-N 324.381 -0.891 30 20 DBED Cn1nnc2c1CC[C@H](Nc1cnc(C#N)c(-c3nn[nH]n3)n1)C2 1570932390 SXEJUWPPOJFHLT-ZETCQYMHSA-N 323.324 -0.374 30 20 DBED C#CC[C@@H](NS(=O)(=O)c1c(C)nn(COC)c1C)C(=O)O 1573302316 AEIGFQGBQJGISH-SNVBAGLBSA-N 315.351 -0.141 30 20 DBED C#CC[C@@H](NS(=O)(=O)[C@H]1CC[C@@H](C(=O)O)C1)C(=O)OC 1573304059 YGMLEUJWMRZLSO-KXUCPTDWSA-N 303.336 -0.276 30 20 DBED C=CCS(=O)(=O)CCNC(=O)[C@@]12CNC[C@@H]1CCOC2 1574947099 ANIRLLFJLKXIQQ-WCQYABFASA-N 302.396 -0.671 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCOC2(CN(Cc3cnn[nH]3)C2)C1 1575013742 SWKXCQFYCYAPNO-LBPRGKRZSA-N 319.365 -0.744 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@H](N3C(=O)O[C@H]4CNC[C@H]43)C2)c1 1580062336 WUJXHMHBZGVKLP-UHTWSYAYSA-N 315.333 -0.107 30 20 DBED C#CCN(CC#C)C(=O)C(=O)Nc1ccc(-c2nn[nH]n2)cc1 1588350034 ZCGSLLZIPZIGNH-UHFFFAOYSA-N 308.301 -0.100 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCC[C@H](CC(=O)O)C1)[C@@H]1CCCO1 1588388774 ZYEAWJOJOQRKSB-AGIUHOORSA-N 322.361 -0.003 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N[C@H]1CC=C(C(=O)O)C1 1588390210 OAEOQBMSJQRGPS-NEPJUHHUSA-N 308.334 -0.179 30 20 DBED C[C@H](C(=O)OC[C@@H]1CCCN1CC(=O)O)n1cnc(C#N)n1 1588606399 DYMBMFDOAYUOPN-ZJUUUORDSA-N 307.310 -0.197 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC([C@H](O)C(=O)O)CC1 1589330620 LBMGDFCRFCQTST-ONGXEEELSA-N 319.383 -0.520 30 20 DBED C[C@H](C(=O)NCC(=O)O)N1CCN(c2ccc(C#N)cn2)CC1 1589399940 ICSHGZBTPWQNDM-LLVKDONJSA-N 317.349 -0.335 30 20 DBED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N(CC#N)CC(=O)O 1590205872 BBAGQCOZMAMGCI-QMMMGPOBSA-N 301.299 -0.691 30 20 DBED Cc1cc(NC(=O)C(=O)NCCCC#N)ncc1-c1nn[nH]n1 1592012691 HFCPQRMZDBWFNA-UHFFFAOYSA-N 314.309 -0.071 30 20 DBED N#Cc1ncc(NC[C@@H]2CSCCN2)nc1-c1nn[nH]n1 1592710741 XKDMMTIIYCVUII-SSDOTTSWSA-N 303.355 -0.355 30 20 DBED N#Cc1ccc([C@H](O)C(=O)NCCC(=O)NCCC(=O)O)cc1 1601096466 FDPGOQLWTKIFAJ-AWEZNQCLSA-N 319.317 -0.311 30 20 DBED O=C(NCCN(CCO)C(=O)C#CC1CC1)[C@H]1C[C@H]1C(=O)O 1601785421 XXQWPLSMMPTOBM-NWDGAFQWSA-N 308.334 -0.942 30 20 DBED C#CC[C@@H](NS(=O)(=O)c1cccnc1C(=O)OC)C(=O)O 1602698330 CCJOTFWIXYKJNJ-MRVPVSSYSA-N 312.303 -0.377 30 20 DBED C=CCn1cc(C(=O)Nc2nn(C)c(C)c2-c2nn[nH]n2)nn1 1602882218 CMDBNNIXBRZLFR-UHFFFAOYSA-N 314.313 -0.062 30 20 DBED COC(=O)[C@H](CNC(=O)[C@](C)(C#N)CC(=O)O)[C@@H]1CCOC1 1604268089 RAZPXYOXIVNJAN-RULNRJAQSA-N 312.322 -0.067 30 20 DBED N#Cc1cncc(S(=O)(=O)N2C[C@H]3COC[C@@]3(C(=O)O)C2)c1 1605626752 NRXCOPFGGVLMLM-GWCFXTLKSA-N 323.330 -0.325 30 20 DBED Cn1cnnc1S(=O)(=O)CC(=O)NCc1cccc(C#N)c1 1645534965 FWUMPLVMTJRQEA-UHFFFAOYSA-N 319.346 -0.223 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)CCc2cncn2C)C1 1665591751 ZIRARVGYWVHWJI-CYBMUJFWSA-N 317.393 -0.707 30 20 DBED COC[C@@H](C)C(=O)NC1CCC(NCC(=O)NCC#N)CC1 1752848605 OKEIEGAHZHLABL-PNESKVBLSA-N 310.398 -0.074 30 20 DBED C#CCNC(=O)CN1CC[C@@H](CCNC(=O)[C@@]23COC[C@@H]2C3)C1 1753328450 TVAYDHPYESOVTF-KEYYUXOJSA-N 319.405 -0.400 30 20 DBED C#CCN1CC[C@H](CCNC(=O)[C@H](CCC)S(N)(=O)=O)C1 1753329471 BLUCLSVAPMMTOB-STQMWFEESA-N 315.439 -0.095 30 20 DBED CN(CCN1CCN(CC#N)CC1)C(=O)Cn1ccccc1=O 1753344694 PAWQWVNOWLUCRZ-UHFFFAOYSA-N 317.393 -0.552 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC(CNC(=O)c2cnnc(C)c2)C1 1753401219 XBCFZLOJFQSABO-GFCCVEGCSA-N 315.377 -0.415 30 20 DBED C#CCNC(=O)CNC[C@H](C)CNC(=O)[C@@H]1CCCCN1CC 1753644819 NQYGRJLZPGMLGB-GJZGRUSLSA-N 322.453 -0.048 30 20 DBED CC#CCN(C)CCN(C)C(=O)CN1CCCCS1(=O)=O 1753858176 QKKFYECGNZLUBY-UHFFFAOYSA-N 315.439 -0.175 30 20 DBED C#CCNC(=O)CNC[C@@H]1CCC[C@@H]1NC(=O)c1ccncn1 1753900028 ROLSKJMVJAXRJY-STQMWFEESA-N 315.377 -0.286 30 20 DBED C#CCNC(=O)CNC[C@@H](O)CNC(=O)C[C@@H]1CC=CCC1 1753923252 FRGZVCDIERUDCQ-ZIAGYGMSSA-N 307.394 -0.451 30 20 DBED C=CCNC(=O)[C@H](C)NC/C=C\CNC(=O)[C@H]1CCC(=O)NC1 1754140008 KKGAEAHJFLEYKV-AIMRDXAKSA-N 322.409 -0.535 30 20 DBED C=CCNC(=O)[C@H](C)NC[C@@H](C)NC(=O)c1ccc(OC)nn1 1754248119 NKLCEGOLBDXURM-MNOVXSKESA-N 321.381 -0.116 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCN1CC(=O)NCC=C 1754485845 CVOHHHKEPZHTRV-CABCVRRESA-N 318.421 -0.423 30 20 DBED C=C(Cl)CN1CC[C@H]1CNC(=O)CN1CC(=O)N(C)C1=O 1754501513 ZDWAVCSLBXZJNF-JTQLQIEISA-N 314.773 -0.177 30 20 DBED C=CCOCCN1CC[C@H]1CNC(=O)CN1C(=O)CN(C)C1=O 1754503436 YOPVLLKZQHDBFN-LBPRGKRZSA-N 324.381 -0.727 30 20 DBED C=CCNC(=O)CNC[C@@H]1CCCN1C(=O)C[C@@H]1COC(=O)C1 1754608266 TWKZFYNLXQZGDA-STQMWFEESA-N 323.393 -0.178 30 20 DBED COCC#CCN1CC(O)(CNC(=O)[C@H]2CCC2(F)F)C1 1754769359 WTOBJCCMKAHPCX-LLVKDONJSA-N 302.321 -0.156 30 20 DBED C=CCN1CCC[C@@](CO)(NC(=O)CCN2C(=O)CCC2=O)C1 1754855287 MPIYYYCURKNPCV-MRXNPFEDSA-N 323.393 -0.345 30 20 DBED CC#CCN1CCC[C@@](CO)(NC(=O)Cn2ccccc2=O)C1 1754860673 HKJCWWYGALMIKU-QGZVFWFLSA-N 317.389 -0.185 30 20 DBED CC#CCN1CC(CCO)(NC(=O)CCn2ccccc2=O)C1 1755333731 OZJLFLSUKXKADT-UHFFFAOYSA-N 317.389 -0.185 30 20 DBED Cc1nnc([C@@H](C)N[C@H](CO)CNC(=O)CSCC#N)o1 1755624228 OLNPNMZDMFIRLF-SCZZXKLOSA-N 313.383 -0.238 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H](CO)CNC(=O)C1CCC=CCC1 1755647709 PWWYLZGIOHLZKE-UKRRQHHQSA-N 321.421 -0.063 30 20 DBED C#CCCN[C@H]1C[C@H](C)N(C(=O)CN2CCC(=O)NC2=O)C1 1755691021 RSWAPTSPHAWQJA-RYUDHWBXSA-N 306.366 -0.469 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H](C)N(C)C(=O)C1=COCCO1 1756026183 AXWDSLZBSCFSKG-NWDGAFQWSA-N 310.350 -0.124 30 20 DBED C[C@H](CNC(=O)c1nnc(O)nc1O)N(C)C(=O)C#CC1CC1 1756051566 KTHLZDSLKYGGLK-MRVPVSSYSA-N 319.321 -0.727 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H](CO)NC(=O)Cc1ccccc1 1756520725 BZCLAAVJPSGHLJ-UKRRQHHQSA-N 318.373 -0.139 30 20 DBED C=CC(C)(C)CC(=O)N[C@H](CO)CNC(=O)c1cnn(C)n1 1756537858 YOQNBXWZNPCYPZ-JTQLQIEISA-N 309.370 -0.376 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](NC(=O)COC)CC[C@H]1C 1756786289 DRXNIKQVLYCSGB-NEPJUHHUSA-N 309.366 -0.732 30 20 DBED C=CCCOCC(=O)N1C[C@H](O)[C@H](NC(=O)[C@H](CC)OC)C1 1757160635 YVGZDTUGPBZMEH-AGIUHOORSA-N 314.382 -0.308 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H]1C[C@@H](CNC(=O)c2[nH]nnc2C)C1 1757325318 BJOIPELYIIRSCD-UTUOFQBUSA-N 319.365 -0.224 30 20 DBED C#CCCCC(=O)N1CCC[C@@H](N(CCO)C(=O)CC(N)=O)C1 1757462585 KYZQRBILZWOWKO-CYBMUJFWSA-N 323.393 -0.523 30 20 DBED CC(=O)NCCN(C)c1nnc(C2(C#N)CCOCC2)n1C 1772150507 XJQBDSQXIUVNHG-UHFFFAOYSA-N 306.370 -0.041 30 20 DBED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3[nH]nnc3C)C[C@@H]21 1790790489 CRSPMOFWOFHETI-SRVKXCTJSA-N 317.349 -0.660 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](N)[C@@H](C)CC)C2 1800452096 UVNCQRCBYKIBIS-OBORUHMCSA-N 307.394 -0.417 30 20 DBED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(=O)N(C)C)C2 1802019725 GODJBSOXIZMQOO-DABQJJPHSA-N 321.377 -0.922 30 20 DBED C#CC(=O)N1CC2(CCCN2C(=O)CCN2CCOCC2)C1 1842841002 NNHQELWTWBDTKT-UHFFFAOYSA-N 305.378 -0.455 30 20 DBED N#CCCC(=O)N1CC2(CCCN2C(=O)C2=NNC(=O)C2)C1 1844223009 ISYOXACDHIVBHR-UHFFFAOYSA-N 303.322 -0.631 30 20 DBED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)c1cnccn1)C2 1846195067 YBINZVNGACSNHY-UHFFFAOYSA-N 314.301 -0.618 30 20 DBED C=CCN(CC=C)C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 6082845 NUGCSKJVHKQNPZ-UHFFFAOYSA-N 317.349 -0.366 30 20 DBED Cn1c(NCCCN2CCC(O)CC2)c(C#N)c(=O)n(C)c1=O 59363461 OVDZWLYABNTAHH-UHFFFAOYSA-N 321.381 -0.786 30 20 DBED Cn1cnn(CC(=O)NCc2ccc(OCC#N)cc2)c1=O 181448392 PNUYRHJFAXQUCQ-UHFFFAOYSA-N 301.306 -0.199 30 20 DBED C=CCNC(=O)CNC(=O)CCn1nnc2ccccc2c1=O 181666993 QXDQWAWVHMCUTA-UHFFFAOYSA-N 315.333 -0.400 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@H](C)CC(=O)OC)CC1 268218677 SBMPBPIWHHEMLZ-CYBMUJFWSA-N 323.393 -0.531 30 20 DBED CNC(=O)C1CN(C(=O)C(=O)Nc2cc(C#N)ccc2OC)C1 274543189 SUGVGMYKESZTQU-UHFFFAOYSA-N 316.317 -0.290 30 20 DBED CN(C)c1ccc(S(=O)(=O)N2CCN(CC#N)CC2)cn1 279155990 BHEACCBPQAHFBZ-UHFFFAOYSA-N 309.395 -0.023 30 20 DBED CC#CC[C@H](NS(=O)(=O)CC(C)(C)C(=O)OC)C(=O)O 287508297 LTDKWDFXYCBMBG-VIFPVBQESA-N 305.352 -0.028 30 20 DBED C[C@@H]1CN(C(=O)C(=O)Nc2sccc2C#N)C[C@@H](C(N)=O)O1 294218762 WTTKCRCIWAKUNB-APPZFPTMSA-N 322.346 -0.341 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2CCO[C@H](C)C2)C1=O 297989577 XFXQWGIVYKLDBT-VXGBXAGGSA-N 309.366 -0.521 30 20 DBED Cn1c(NCCOC[C@H]2CCCO2)c(C#N)c(=O)n(C)c1=O 301260513 FHJYODKYGKZGDG-SNVBAGLBSA-N 308.338 -0.437 30 20 DBED CN1C(=O)CC[C@H]1C(=O)N(CCC#N)CCN1CCOCC1 329522269 GAVGRSBCPUUFHF-ZDUSSCGKSA-N 308.382 -0.318 30 20 DBED CCN(CCO)/C(O)=N/C1CCN(CC(=O)N(C)C)CC1 330683034 QVYZLMTYGIFYIB-UHFFFAOYSA-N 300.403 -0.233 30 20 DBED CNC(=O)[C@H]1CN(CC(=O)N/C(O)=N/CC(C)C)CCO1 330814016 MORRNIWMSRIXTK-SNVBAGLBSA-N 300.359 -0.881 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N2CC[C@H]([C@@H]3CCOC3)C2)CCO1 336889592 IOAZNVHUOPHPNX-YNEHKIRRSA-N 315.395 -0.186 30 20 DBED C[C@H](CC#N)NC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 338071734 XBIWYCKEVOTBPM-SECBINFHSA-N 318.337 -0.758 30 20 DBED N#CCNC(=O)CNC(=O)CCn1c(=O)oc2ccccc21 344154985 LWKRURLSILGIRZ-UHFFFAOYSA-N 302.290 -0.259 30 20 DBED C=CCNC(=O)CNC(=O)C(=O)Nc1cc(C(=O)OC)n(C)c1 347227163 FFXHYMZDOLEXMO-UHFFFAOYSA-N 322.321 -0.831 30 20 DBED C[C@@H]1COCC[C@@H]1CNS(=O)(=O)N1CCO[C@H](C#N)C1 352346050 PYULIKOIRJOLAO-IJLUTSLNSA-N 303.384 -0.282 30 20 DBED Cc1nc(=NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)o[nH]1 352468014 XVKWKLQKHPMOIJ-UHFFFAOYSA-N 321.318 -0.411 30 20 DBED CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)c2cnn(C)c2C#N)O1 356663391 FJCCLTMNGAEFBB-BXKDBHETSA-N 305.338 -0.343 30 20 DBED C=CCOC[C@@H](NC(=O)C(=O)c1cnn(CC)c1)C(=O)OC 360727190 UYTWSIBSJRVMIU-LLVKDONJSA-N 309.322 -0.054 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCN2C(=O)NC[C@H]2C1 370300842 YUYPNSZXPAQWPO-MNOVXSKESA-N 315.399 -0.578 30 20 DBED N#Cc1ccccc1OC[C@H](O)CN1C[C@H]2C(=O)NC(=O)[C@H]2C1 388101738 TXZDRJJDHFZUJJ-UPJWGTAASA-N 315.329 -0.498 30 20 DBED CCOC(=O)N1CCN(S(=O)(=O)N[C@H](C)CC#N)CC1 491416170 GEKLWZBYFSBZIB-SNVBAGLBSA-N 304.372 -0.103 30 20 DBED C#CCN1CCN(C(=O)Cn2nnnc2-c2ccccn2)CC1 491622404 HLFPKZIPLZAHRA-UHFFFAOYSA-N 311.349 -0.488 30 20 DBED C#CCNC(=O)CCNC1C[C@@H]2CC[C@H](C1)N2CC(=O)N(C)C 491729935 JBNMDZGDJVCGCE-GOOCMWNKSA-N 320.437 -0.201 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)c2snnc2C)CC1 491777458 GEUZDOZKDQQWNF-UHFFFAOYSA-N 321.406 -0.256 30 20 DBED COc1cc(C#N)ccc1NC(=O)C(=O)NC[C@H](O)CN(C)C 546002376 GTZLHFPGOUDFKQ-NSHDSACASA-N 320.349 -0.456 30 20 DBED N#C[C@H]1CN(S(=O)(=O)NC[C@@H]2CCCC[C@H]2O)CCO1 571299396 QBBCEYJWBQSYNQ-SDDRHHMPSA-N 303.384 -0.404 30 20 DBED CC[C@@H]1COCCN1C(=O)C(=O)NC1CCN(CC#N)CC1 588125386 AERDDTZYXODIIH-CYBMUJFWSA-N 308.382 -0.272 30 20 DBED CC(C)[C@@H](C#N)N1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 597046617 IHLLNYXFYUOJPM-WDEREUQCSA-N 307.354 -0.723 30 20 DBED CS(=O)(=O)NC1CN(S(=O)(=O)c2ccc(C#N)o2)C1 599421163 AFOHLLWTTGCEFB-UHFFFAOYSA-N 305.337 -0.927 30 20 DBED C=CCOCC(=O)OCC(=O)N(CC)[C@H]1CCS(=O)(=O)C1 729765758 RQSPVTILVUUVEB-NSHDSACASA-N 319.379 -0.232 30 20 DBED N#C[C@H]1CN(S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)CCO1 737681365 DDWTZJZJMNKUGI-JTQLQIEISA-N 320.334 -0.220 30 20 DBED C[C@@H](CS(C)(=O)=O)C(=O)OCC(=O)N(C)C(C)(C)C#N 747080102 MJGPLENOPDKLKR-VIFPVBQESA-N 304.368 -0.029 30 20 DBED C#CCNC(=O)COC(=O)CCc1ccc(S(N)(=O)=O)cc1 749725358 JSYUCAUGHVVIMU-UHFFFAOYSA-N 324.358 -0.441 30 20 DBED COCCN1C[C@@H](C(=O)[C@@H](C#N)C(=O)c2nccn2C)CC1=O 770730447 NGXMUYLYISLWSM-WDEREUQCSA-N 318.333 -0.193 30 20 DBED C[C@H]1C(=O)N(C)S(=O)(=O)N1CC(=O)Nc1ccc(C#N)cc1 786877778 QJIMZDPLIOBQDX-VIFPVBQESA-N 322.346 -0.096 30 20 DBED Cc1ccc(C(=O)OCC(=O)N2CCNC(=O)C2)cc1C#N 799549347 NWFQCYMGTNNDAC-UHFFFAOYSA-N 301.302 -0.018 30 20 DBED C=CCNC(=O)[C@H](C#N)C(=O)CN(C)C(=O)[C@H](C)n1cccn1 815908478 CGGJLEBHIWLOTH-NWDGAFQWSA-N 317.349 -0.086 30 20 DBED C#CC[C@@H](CO)NC(=O)c1nc(S(C)(=O)=O)n2ccccc12 816671639 DHYMNGNGMFGJPA-JTQLQIEISA-N 321.358 -0.148 30 20 DBED CC(C)(C(=O)N[C@@H]1CCCN(O)C1=O)S(=O)(=O)C1CC1 820483011 WJRWTFCSQACBTD-SECBINFHSA-N 304.368 -0.161 30 20 DBED CCN(CC)CC#C[C@@H](C)OC(=O)[C@@H]1CCS(=O)(=O)N1 845498318 XYKYMUBQBAVKRH-NEPJUHHUSA-N 302.396 -0.045 30 20 DBED CS(=O)(=O)Cc1ccc(S(=O)(=O)O[C@H]2CNOC2)cc1 845931545 RQHKJUNEHCFTDS-JTQLQIEISA-N 321.376 -0.160 30 20 DBED CC1=C(C(=O)N[C@H]2CCCN(O)C2=O)[C@@H](C)n2nnnc2N1C 848132142 OPBZCLSUWUAMJU-BDAKNGLRSA-N 321.341 -0.546 30 20 DBED CC1=C(C(=O)N2CC[C@@](O)(CC#N)C2)[C@@H](C)n2nnnc2N1C 848237658 IUAZTNWKCRLIPO-YGRLFVJLSA-N 317.353 -0.165 30 20 DBED C#CC[C@H](NC(=O)c1cn(CC2(CC)COC2)nn1)C(=O)OC 854909597 DCRTVOXNAOZPIR-NSHDSACASA-N 320.349 -0.001 30 20 DBED C#CCNC(=O)COC(=O)c1ccc2c(c1)N(C)C(=O)CO2 860107147 APXLSCPEGSZPSL-UHFFFAOYSA-N 302.286 -0.052 30 20 DBED C#CC1(O)CN(C(=O)CNC(=O)c2ccc3c(c2)OCO3)C1 890519899 RCCKKIIWIZTSME-UHFFFAOYSA-N 302.286 -0.648 30 20 DBED C#CC1(O)CN(C(=O)NCC(=O)N(C)CCc2ccccn2)C1 892704680 IGODQKJJEKUVAC-UHFFFAOYSA-N 316.361 -0.528 30 20 DBED C#CCSCC(=O)N1CCCN(C(=O)CNC(C)=O)CC1 899138080 UASHUEQIPQQQIT-UHFFFAOYSA-N 311.407 -0.450 30 20 DBED CCN(C[C@@H](C)C#N)C(=O)COC(=O)CN(C)S(C)(=O)=O 919083386 UDIMVZVWPWTMEQ-JTQLQIEISA-N 319.383 -0.571 30 20 DBED CS(=O)(=O)NC[C@H]1CCCCN1C(=O)NCC#CCO 923784828 MJPMQNNGNLIPEW-LLVKDONJSA-N 303.384 -0.905 30 20 DBED C=C1CC(C)(C(=O)N2CC[C@H](NC(=O)[C@H]3CNC(=O)N3)C2)C1 938574630 MMBMNVSHNBSOMS-WDEREUQCSA-N 306.366 -0.259 30 20 DBED Cc1nn(C)cc1C(=O)NC[C@H]1CN(C(=O)[C@H](C)C#N)CCO1 944515620 JDLDEOCMROGKHH-PWSUYJOCSA-N 319.365 -0.155 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@H]3CN(C(=O)C(N)=O)CC[C@@H]32)c1 946026642 ZSOWDECHRZONIW-JQWIXIFHSA-N 315.333 -0.565 30 20 DBED C[C@H](C#N)C(=O)N1CCC(NC(=O)C2CS(=O)(=O)C2)CC1 948096497 LVBOWXIRBASUCK-SECBINFHSA-N 313.379 -0.702 30 20 DBED C#CCN1CCOC2(CCN(C(=O)[C@@H]3CCNC(=O)C3)CC2)C1 949340283 HTGLSRYUFVTVCI-CQSZACIVSA-N 319.405 -0.161 30 20 DBED CC(=O)N1CC(C(=O)NC[C@H]2CCN2C(=O)C#CC2CC2)C1 949608341 HNFZRBLFNSGJLC-CQSZACIVSA-N 303.362 -0.405 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2cc[nH]n2)C1 954630757 IQYAZMJKBXIWMF-AWEZNQCLSA-N 315.377 -0.210 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2cnn(CCOC)c2C)C1 958069669 OWSKSAJLZLKWMW-UKRRQHHQSA-N 320.393 -0.506 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cnc3n2CCOC3)C1 958151507 JKLUZFRXJBSYHN-WCQYABFASA-N 304.350 -0.931 30 20 DBED C#CCCN1C[C@H](O)[C@H](CNC(=O)c2cccc(C(N)=O)n2)C1 958736245 LHBODILCXHVFJJ-RISCZKNCSA-N 316.361 -0.774 30 20 DBED CC#CCN1C[C@@H](O)[C@H](CNC(=O)c2ccc(C(N)=O)cn2)C1 958744238 JRZSISBGDGZXNS-TZMCWYRMSA-N 316.361 -0.774 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2CN(C(=O)C(N)=O)C[C@@H]2C)cc1 959570939 NDKOCMGJHRLUSH-FZMZJTMJSA-N 313.357 -0.023 30 20 DBED C#CCCN1C[C@H]2[C@H](NC(=O)c3cnn4c(=O)cc[nH]c34)[C@H]2C1 961980069 HHFXLUNUYCAHJN-IMRBUKKESA-N 311.345 -0.294 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC2(CN(C(=O)c3cnn[nH]3)C2)C1 965476887 JCWZMPACMWPSCK-VIFPVBQESA-N 304.310 -0.982 30 20 DBED C[C@@H]1CN(C(=O)c2cnn[nH]2)C[C@@H]1NC(=O)c1ccc(C#N)[nH]1 966570656 IJWLXOYBINVKJQ-PELKAZGASA-N 313.321 -0.105 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)Cc2ccc(O)nc2)C1 968970769 VLUGHYGVFOZAQS-WCQGTBRESA-N 318.333 -0.823 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)c2cnn3cc[nH]c23)C1 969404063 MFVFMAHOEBZCJL-GDPRMGEGSA-N 316.321 -0.876 30 20 DBED C=CCN[C@@H]1CCN(C(=O)C[C@]2(C)CCS(=O)(=O)N2)C1 970566122 QBIRSCJSKSNORP-YPMHNXCESA-N 301.412 -0.165 30 20 DBED C#CCN1C[C@@H]2C(CNC(=O)[C@H]3CCCCS3(=O)=O)[C@H]2C1 978250294 OMKCRZXMJJVTCE-MGPQQGTHSA-N 310.419 -0.119 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H](N(C)C(=O)c2c[nH]c(=O)cn2)C1 984597971 OGCGSPZLYJLQKV-WDEREUQCSA-N 317.349 -0.007 30 20 DBED C#CCN(C)C1CCN(C(=O)CCn2ncn(C)c2=O)CC1 985551412 VSVNLTZUFDHEHS-UHFFFAOYSA-N 305.382 -0.472 30 20 DBED C[C@H]1C[C@@H](NCc2nnnn2C)CN1C(=O)c1cc(C#N)c[nH]1 988504393 XVFIOGYHUNNVLF-GXSJLCMTSA-N 314.353 -0.197 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)c2cn(C)c(=O)n2C)[C@H]1C 988663994 LBLHHUCYTGLKLV-AXFHLTTASA-N 319.365 -0.397 30 20 DBED Cc1c(C(=O)NC2CN(C(=O)c3ccc(C#N)[nH]3)C2)nnn1C 990596952 MALORFJCVCQKAN-UHFFFAOYSA-N 313.321 -0.422 30 20 DBED C=CCn1cc(C(=O)NC2CN(C(=O)c3nc(C)c[nH]3)C2)nn1 991678108 VUOREOQMSUDFPT-UHFFFAOYSA-N 315.337 -0.250 30 20 DBED C#CCN1CC[C@@]2(NC(=O)CN3C(=O)CN(C)C3=O)CCC[C@@H]12 992473003 JQMMQAFQJLMLKV-WBMJQRKESA-N 318.377 -0.373 30 20 DBED COCCN1C[C@H](C(=O)N2CCC(NCC#N)CC2)CC1=O 996658655 ZYAXCARTMZNVIN-GFCCVEGCSA-N 308.382 -0.415 30 20 DBED Cc1nc(O)nc(O)c1CC(=O)N1CCC(NCC#N)CC1 997114819 DUWYWKJYGZNDKF-UHFFFAOYSA-N 305.338 -0.157 30 20 DBED C=C1CCC(C(=O)NC2CN(C(=O)Cn3cnnn3)C2)CC1 999084653 TUFDIPVRXBEXLI-UHFFFAOYSA-N 304.354 -0.254 30 20 DBED C=C1CC(C)(C(=O)NC2CN(C(=O)CN3CCOCC3=O)C2)C1 999290568 KYEQTXUVHPXLEA-UHFFFAOYSA-N 321.377 -0.472 30 20 DBED C=CCN1CC[C@@H](N[C@@H]2CCCN(C(=O)c3nc[nH]n3)C2)C1=O 1000494334 KVZJDQBDLBCUBK-VXGBXAGGSA-N 318.381 -0.214 30 20 DBED CC(=O)N1CCO[C@@H](C(=O)NCC2=CCN(CC#N)CC2)C1 1001417702 HEVZBXNBRQXHJG-CQSZACIVSA-N 306.366 -0.494 30 20 DBED C[C@H](C#N)C(=O)N1CC(CNC(=O)[C@H]2CCCN(C(N)=O)C2)C1 1003184601 CRWXBCJJSQGJAR-PWSUYJOCSA-N 321.381 -0.489 30 20 DBED CC(=O)N1CCOC[C@@H]1C(=O)N(C)C1CCN(CC#N)CC1 1006429001 OHJDNNFBHBBJNL-CQSZACIVSA-N 308.382 -0.320 30 20 DBED C#Cc1cncc(C(=O)N2C[C@H]3C(NC(=O)c4cnn[nH]4)[C@@H]3C2)c1 1013383060 MMRSTUJHOHDKAK-VXGBXAGGSA-N 322.328 -0.319 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2ccc(=O)n(CCOC)n2)C1 1015175819 IMLPAYCRUWUZCL-ZDUSSCGKSA-N 318.377 -0.283 30 20 DBED C=C(C)CN[C@H]1CCN(C(=O)c2cn(CC(=O)N(C)C)nn2)C1 1019820283 DJUGJRDTMLMBIH-LBPRGKRZSA-N 320.397 -0.254 30 20 DBED C[C@H]1[C@@H](NC(=O)[C@@H]2COCCO2)CCN1C(=O)C#CC1CC1 1020248796 KOKIREZVBCJLGT-UBHSHLNASA-N 306.362 -0.079 30 20 DBED C#Cc1ccc(C(=O)N2C[C@@H]3CCN(C(=O)C(N)=O)[C@@H]3C2)nc1 1022551644 CKGVEUCJVMZUIG-WCQYABFASA-N 312.329 -0.779 30 20 DBED C=CCN1CCCC[C@H]1CNC(=O)c1cn(C)c(=O)n(C)c1=O 1024684887 CJGCGRJNAYUSCB-LBPRGKRZSA-N 320.393 -0.146 30 20 DBED C=CCCN1CC[C@@H](CNC(=O)c2cn(CC(N)=O)nn2)C1 1029004281 YKFIVJNBMJIFNI-NSHDSACASA-N 306.370 -0.609 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)c3ncccc3O)C2)C1=O 1030242398 RQDKRDUDIZUUTJ-GFCCVEGCSA-N 316.361 -0.012 30 20 DBED C=CCCn1cc(C(=O)NC2CN(CC(=O)NC3CC3)C2)nn1 1031079668 GFXLCGUYUNMQDR-UHFFFAOYSA-N 318.381 -0.453 30 20 DBED N#Cc1ccc(C(=O)NCC2CN([C@H]3CCC(=O)NC3=O)C2)[nH]1 1031620390 IHAFAFJHPWNYLK-LBPRGKRZSA-N 315.333 -0.647 30 20 DBED C#CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cn(C[C@H]2CCOC2)nn1 1032706429 MCEYEUCQWINFQB-RDBSUJKOSA-N 315.377 -0.154 30 20 DBED N#CCN1CCC2(CCN(C(=O)C[C@@H]3NC(=O)NC3=O)CC2)C1 1035194732 AAANNNCSLXBGKO-NSHDSACASA-N 319.365 -0.577 30 20 DBED C[C@H](C(N)=O)N1CCO[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 1035325080 AYQZEBCPFNZURB-MWLCHTKSSA-N 305.338 -0.809 30 20 DBED C=CCN1CCO[C@H](CNC(=O)c2ccnc3c2nnn3C)C1 1035487061 IAIOBBDGEPMZFV-LLVKDONJSA-N 316.365 -0.020 30 20 DBED C#CCN[C@H]1CCN(C(=O)CN2CCN(C)C(=O)C2)C[C@@H]1CC 1037867526 CHRZCIBREYPCAX-GJZGRUSLSA-N 320.437 -0.390 30 20 DBED C#CCCN1CC[C@@H]1CNC(=O)c1ccc(-n2cnnn2)cn1 1038554145 HMIFQGUVLJPSNG-GFCCVEGCSA-N 311.349 -0.115 30 20 DBED C=CCn1cc(C(=O)N2[C@H]3CC[C@H]2CN(CC(N)=O)CC3)nn1 1039448420 OBAVEPQGOPMVEV-RYUDHWBXSA-N 318.381 -0.372 30 20 DBED C=CCCC(=O)N1CC[C@@](O)(CNC(=O)[C@]2(C)CNC(=O)C2)C1 1040334867 LSAVRUQVKWCBKY-JKSUJKDBSA-N 323.393 -0.442 30 20 DBED C[C@@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)c2cnsn2)C1 1040762390 IFANUCIYCMDMCC-QPUJVOFHSA-N 309.351 -0.609 30 20 DBED C=C[C@](C)(CC)C(=O)NC[C@]1(O)CCN(C(=O)CC(N)=O)C1 1040812254 IMLYYTHBAQQPEB-HUUCEWRRSA-N 311.382 -0.456 30 20 DBED C=CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)[C@@H]2CCCO2)C1 1041359371 OCEJPSGPZHFXEH-NEPJUHHUSA-N 312.366 -0.554 30 20 DBED CC#CCN1CC[C@@]2(CCN(C(=O)C[C@@H]3CC(=O)NC3=O)C2)C1 1041862361 YTQKYVWHEVHYNJ-SUMWQHHRSA-N 317.389 -0.013 30 20 DBED C[C@@H]1CN(c2nccnc2C#N)C[C@H]1NC(=O)c1cnnn1C 1041870872 AXTOKKMKLGMSAO-MWLCHTKSSA-N 312.337 -0.269 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)c2cn(C)c(=O)cn2)C1 1041956643 SYHMDEKKKKSGCI-UHFFFAOYSA-N 320.349 -0.950 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)c2ccc(C)n2C)C1 1042034961 FVGXXKJXAUXRCP-UHFFFAOYSA-N 321.377 -0.161 30 20 DBED C[C@H]1CN(C)C[C@H]1C(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042963654 QXEWNHHREDRUAA-GXTWGEPZSA-N 319.405 -0.713 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)C#CC(C)(C)C)C1 1043032840 JQCXKCIDKFUTKQ-UHFFFAOYSA-N 320.389 -0.235 30 20 DBED C=CCn1cc(C(=O)N(C)C2CN(CCn3cncn3)C2)nn1 1044022047 BVXRIDXKNLUARY-UHFFFAOYSA-N 316.369 -0.488 30 20 DBED C=CCN[C@@H]1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)[C@@H](C)C1 1044763077 KOLLKTFSNYYXBZ-NWDGAFQWSA-N 320.393 -0.147 30 20 DBED CC[C@H](C(=O)N1CC(O)(CNC(=O)[C@@H](C)C#N)C1)N(CC)CC 1045551410 IOJRXPXXIMWBAH-QWHCGFSZSA-N 324.425 -0.044 30 20 DBED C[C@@]1(NC(=O)c2ccc(S(N)(=O)=O)o2)CCN(CC#N)C1 1046445722 HXSYHRKKZNMGAO-GFCCVEGCSA-N 312.351 -0.355 30 20 DBED C=C(C)CN1C[C@H](O)[C@@H](N(C)C(=O)C2CC(=O)NC(=O)C2)C1 1047563878 YCOOLTWTJPOCHZ-RYUDHWBXSA-N 309.366 -0.881 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2cnn3cc[nH]c23)C1 1047611880 YAJBQDZGQGEVHO-STQMWFEESA-N 301.350 -0.197 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@H](CNC(=O)c1nnc(O)nc1O)C2 1048543430 YSFUBUZIHILVPC-JGPRNRPPSA-N 317.349 -0.111 30 20 DBED CO[C@H](C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C#CC2CC2)C1)C1CC1 1048821555 RCPZNXIHZQLQQR-DZKIICNBSA-N 320.389 -0.145 30 20 DBED Cc1nn[nH]c1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C#CC2CC2)C1 1048828081 FCGRFWDNYKIHHD-RYUDHWBXSA-N 317.349 -0.830 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cc[nH]c2)C1 1048957660 LRXBGSTYRJYDJY-UBHSHLNASA-N 319.361 -0.303 30 20 DBED Cc1c[nH]nc1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)C#N)C1 1049393544 BPNVVAOAYZCPRW-MIMYLULJSA-N 305.338 -0.479 30 20 DBED C=CCCC(=O)N[C@@H](C)[C@@H]1CCN(C(=O)Cn2cnnn2)C1 1049968562 NCRBMHDNPXHBCO-NWDGAFQWSA-N 306.370 -0.008 30 20 DBED C=C(Cl)CN1CCOC[C@H]1CNC(=O)[C@@H]1CNC(=O)N1 1051096562 RMRPRBHQANFXSJ-ZJUUUORDSA-N 302.762 -0.763 30 20 DBED CC(C)(C(N)=O)C(=O)N1CC[C@H](N2CCN(CC#N)CC2)C1 1052041893 VJRGLNCIZLKJHV-LBPRGKRZSA-N 307.398 -0.760 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)C[C@@H]3CCCC(=O)N3)CO2)C1 1053865821 KAXAJBBFKVZHRU-STQMWFEESA-N 305.378 -0.362 30 20 DBED Cn1cnc(C(=O)NC2[C@H]3CN(c4nccnc4C#N)C[C@H]23)n1 1056203339 RTHUVBMOAILDQJ-IUCAKERBSA-N 310.321 -0.659 30 20 DBED N#Cc1ccc(N2CCC[C@H](NC(=O)[C@@H]3CNC(=O)N3)C2)nn1 1058231675 NVLRKUQWNDVSBJ-QWRGUYRKSA-N 315.337 -0.885 30 20 DBED C=CCCCC(=O)N(CCO)CCNC(=O)c1ncn(C)n1 1058622023 XYQDSAXZDWRFJB-UHFFFAOYSA-N 309.370 -0.278 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 1058883615 MSNCXCDCLSYHPB-CMPLNLGQSA-N 301.306 -0.504 30 20 DBED N#Cc1ccc(N[C@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)C2)nn1 1059049563 VKRYPZWWHLMZKJ-UWVGGRQHSA-N 301.310 -0.958 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H]1COCCN1C(=O)c1cc[nH]n1 1061584840 NJTZTKOCYKUORI-NEPJUHHUSA-N 320.349 -0.595 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)C1(CN(C)C)CC1 1061825604 JYKOGZQKMBXPCX-OLZOCXBDSA-N 322.409 -0.169 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)CCCN(C)C 1061846758 GSGPZWZVILOTBK-STQMWFEESA-N 310.398 -0.169 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)C1(CN(C)C)CC1 1061846803 HRGVZXOOPWNWOK-CHWSQXEVSA-N 322.409 -0.169 30 20 DBED N#Cc1ccc(N2C[C@@H]3C[C@H]2CN3C(=O)c2ccc(O)nn2)nn1 1062431430 DKJRJEJJRLGMDB-QWRGUYRKSA-N 323.316 -0.053 30 20 DBED C[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(C#N)n1)n1cncn1 1062477592 PXISJYXTTUSAKO-DRZSPHRISA-N 324.348 -0.010 30 20 DBED C=CCCC(=O)N1CCO[C@@H](CNC(=O)CCn2cncn2)C1 1064953439 JJGXUBGGHFSHGE-ZDUSSCGKSA-N 321.381 -0.022 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCO[C@H](CNC(=O)c2cnco2)C1 1065092407 ICQFRISMLKYWGF-ABAIWWIYSA-N 323.349 -0.041 30 20 DBED CCCN(C)CC(=O)N1CCO[C@H](CNC(=O)[C@@H](C)C#N)C1 1065405886 CJVAPXLZAAOJFP-QWHCGFSZSA-N 310.398 -0.169 30 20 DBED N#Cc1cnccc1N1C[C@@H](O)[C@@H](CNC(=O)c2ncccn2)C1 1067677963 LSASGBRFODWTJK-GXTWGEPZSA-N 324.344 -0.030 30 20 DBED CC(C)N(C)CC(=O)N1CC2(C1)CN(C(=O)[C@H](C)C#N)CCO2 1068451163 IKZBTIIHOXGRAN-CYBMUJFWSA-N 322.409 -0.074 30 20 DBED C=CCC(C)(C)C(=O)N[C@H]1COC2(C1)CN(C(=O)CC(N)=O)C2 1068869152 FFVCVSUEXRRUBI-LLVKDONJSA-N 323.393 -0.050 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1COC2(C1)CN(C(=O)c1cnon1)C2 1069003182 KSOMGQCUCYANED-DTWKUNHWSA-N 305.294 -0.671 30 20 DBED N#Cc1cncc(N2CC[C@]3(NC(=O)C(N)=O)CCC[C@@H]23)n1 1069281755 BJCGPVPPADPAMG-QMTHXVAHSA-N 300.322 -0.549 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC[C@@]2(CCCN(C(=O)C(N)=O)C2)C1 1069775962 HFNZSXVUCIMZCF-BLLLJJGKSA-N 323.393 -0.096 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H]2CCCOC2)C1 1069901709 PJYWDEDWWYUECE-MCIONIFRSA-N 303.366 -0.321 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)c2cn(C)cn2)CCOCC1 1070074287 XGNBQJBBTPLTOC-LLVKDONJSA-N 319.365 -0.025 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)[C@@H](C)CC(N)=O)CCOCC1 1070234303 SAJXJNZSZKEXMV-QWRGUYRKSA-N 324.381 -0.561 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC[C@@H](NC(=O)C2(C(N)=O)CC2)C1 1070730442 HAHZQLVBBKYHQE-NWDGAFQWSA-N 321.377 -0.603 30 20 DBED C#CCN1CC[C@]2(C1)CN(C(=O)CCn1ccnn1)C[C@@H](C)O2 1071159372 LAHLSUKFYNMRCN-ZBFHGGJFSA-N 317.393 -0.007 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1C 1072529661 BAVZWDVVRWTGOE-GHMZBOCLSA-N 322.369 -0.621 30 20 DBED C=CCOCC(=O)NC1(C)CCN(C(=O)CNC(C)=O)CC1 1072831698 LWSCNNBRLWIASC-UHFFFAOYSA-N 311.382 -0.178 30 20 DBED C#CCN1CCC2(C1)CN(C(=O)C1CC3(C1)CS(=O)(=O)C3)C2 1072852806 OZKRIQVAADLGCD-UHFFFAOYSA-N 322.430 -0.021 30 20 DBED Cc1cc(C)n(CC(=O)N2CC3(CCN(CC#N)C3)C2)c(=O)n1 1073083672 HNYOOPVVAANIDJ-UHFFFAOYSA-N 315.377 -0.082 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](NC(=O)COC)[C@@H](C)C1 1073633222 VYUFODTYHSRNQQ-NWDGAFQWSA-N 309.366 -0.875 30 20 DBED CNC(=O)NCC(=O)N[C@@H]1CCN(C(=O)C#CC(C)C)C[C@H]1C 1074010868 KZFPQHJWIZEKOC-CHWSQXEVSA-N 322.409 -0.072 30 20 DBED Cn1ccc(=O)c(C(=O)N2CC[C@H]3OCCN(CC#N)[C@@H]3C2)c1 1074291842 LXDADWRQHCYUCI-UKRRQHHQSA-N 316.361 -0.176 30 20 DBED COc1cc(C(=O)N2CC[C@H]3OCCN(CC#N)[C@@H]3C2)nn1C 1074294804 SYPGUTKADACRPF-CHWSQXEVSA-N 319.365 -0.132 30 20 DBED CCC(=O)NCC(=O)N1CCC(O)(CNC(=O)[C@H](C)C#N)CC1 1074520562 YHZWSAHYXYGNPE-LLVKDONJSA-N 324.381 -0.858 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](NC(=O)CNC(N)=O)C[C@@H]1C 1074819368 SDTRKUMEGFVBAI-NWDGAFQWSA-N 324.381 -0.810 30 20 DBED C[C@@H](CCNC(=O)c1ccc(C#N)[nH]1)NC(=O)[C@H]1CCC(=O)N1 1076177879 STFZSMBLHDRHMB-JOYOIKCWSA-N 317.349 -0.210 30 20 DBED C[C@@H](CCNC(=O)c1ccc(C#N)[nH]1)NC(=O)[C@@H]1COC(=O)N1 1076177970 WXFXLIJZFLGECA-KWQFWETISA-N 319.321 -0.381 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)c2ccc3c(c2)OCC(=O)N3)C1 1077138518 IKENBJQLQKBJLN-CHWSQXEVSA-N 317.345 -0.022 30 20 DBED C=CCn1cccc1C(=O)N[C@@H]1CN(CC(=O)N(C)C)C[C@H]1O 1077139107 XWHUURBXTYPXND-TZMCWYRMSA-N 320.393 -0.463 30 20 DBED Cn1ncc(C(=O)N[C@@H]2CN(CC#N)C[C@H]2O)c1C(F)(F)F 1077296637 UWBRRWUBHWGKEQ-RKDXNWHRSA-N 317.271 -0.263 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2cccc(CNC(C)=O)c2)C1 1078200595 HDJKJEZCMVEODX-HZPDHXFCSA-N 315.373 -0.269 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)c1nocc1C 1078409296 QNPATIPSNZEIPJ-NSHDSACASA-N 320.349 -0.253 30 20 DBED C#CCOCCC(=O)N1CC(N(CC)C(=O)CNC(C)=O)C1 1079229142 OHEDJGZLCMCCDW-UHFFFAOYSA-N 309.366 -0.778 30 20 DBED C#CCN1C[C@@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)[C@H](C)C1 1080230234 MKYRUROFMXBZRD-MWLCHTKSSA-N 314.353 -0.623 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CO)(NC(=O)C2=COCCO2)CC1 1080700933 WJLFXBYNEUXUTC-NSHDSACASA-N 323.349 -0.496 30 20 DBED C[C@@H](C#N)C(=O)NC1(CO)CCN(C(=O)c2cnns2)CC1 1080979984 GIJBPKDQLCDITD-VIFPVBQESA-N 323.378 -0.219 30 20 DBED C=CCOCC(=O)N1C[C@H](CNC(=O)c2cccnc2)[C@@H](O)C1 1081191559 IWKXMNGVNSSTIO-KBPBESRZSA-N 319.361 -0.167 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2[nH]cnc2C)C1 1081591719 BZKTYBORNABZIK-VXGBXAGGSA-N 322.365 -0.530 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1081672283 WDMNZPZHEDIIKU-VVSAWPALSA-N 308.378 -0.220 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@@]2(C)CCCS2(=O)=O)[C@H](OC)C1 1082224567 PIXZADXYKFYKNH-YRGRVCCFSA-N 314.407 -0.598 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1c[nH]c(C(N)=O)c1 1083276418 CGEFQBAMSLCCLR-UONOGXRCSA-N 316.361 -0.338 30 20 DBED N#Cc1cnc(NCC2(CCNC(=O)CC(N)=O)CC2)cn1 1089921588 ALNCJSFTXDPNKB-UHFFFAOYSA-N 302.338 -0.078 30 20 DBED N#Cc1nccc(N2C[C@@H]3CCN(C(=O)CNC(N)=O)[C@@H]3C2)n1 1090289280 WCBUGWGVWOVOLN-VHSXEESVSA-N 315.337 -0.946 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2cn(C)nc2COC)[C@H](O)C1 1090371469 KQPIRJUVMZDNPJ-UKRRQHHQSA-N 320.393 -0.245 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2cc(OC)n(C)n2)[C@@H](O)C1 1090420067 FGXKJORVTSTPEB-YPMHNXCESA-N 306.366 -0.383 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2CCN(CCCO)C[C@@H]2O)c1 1090565237 XSEAYECIJLQHBU-CABCVRRESA-N 303.362 -0.390 30 20 DBED C=CCCN1C[C@@H]2CN(C(=O)CN3CCNC(=O)C3)C[C@]2(C)C1 1091913010 OPRYLGJRRDBIGM-PBHICJAKSA-N 320.437 -0.225 30 20 DBED N#Cc1cnc(N2C[C@@H]3C(NC(=O)CCCC(N)=O)[C@H]3C2)cn1 1093277940 HRLPTJIJLZKMEP-QWRGUYRKSA-N 314.349 -0.445 30 20 DBED CN1C[C@H](C(=O)NCCN=c2cc[nH]cc2C#N)CCC1=O 1093679778 AOAYFYDUPJRKEV-LLVKDONJSA-N 301.350 -0.228 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)c3ccc(OC)o3)CC2=O)C1 1094804651 YQGDTZXGXDMYGC-LLVKDONJSA-N 317.345 -0.064 30 20 DBED CN(CCCNC(=O)[C@H]1COC(=O)N1)c1ccc(C#N)nn1 1095546811 JEGPVOLAPBFGJV-SNVBAGLBSA-N 304.310 -0.601 30 20 DBED Cc1nsc(N(C)CCCNC(=O)[C@@H]2CNC(=O)N2)c1C#N 1095715306 LPAXMCXZCUGRDG-JTQLQIEISA-N 322.394 -0.053 30 20 DBED CN(CCCNC(=O)[C@@H]1CCC(=O)NC1)c1cnc(C#N)cn1 1095777577 JECNBKIKEUNOCY-LLVKDONJSA-N 316.365 -0.183 30 20 DBED C[C@H](C(=O)N[C@H]1CCN(c2nccnc2C#N)C1)S(C)(=O)=O 1096502752 UZSFHUAMUVKEJS-ZJUUUORDSA-N 323.378 -0.524 30 20 DBED N#CCSCC(=O)N[C@H]1C[C@H](Nc2nccn3nnnc23)C1 1096992881 GCMUVQQKQHCPSJ-KYZUINATSA-N 318.366 -0.165 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@H]1C[C@@H](Nc2ccc3nnnn3n2)C1 1097175152 GQJQOPJXTHGJBI-ISTVAULSSA-N 317.353 -0.095 30 20 DBED C[C@H](CNC(=O)CCn1cncn1)Nc1cncc(C#N)n1 1097655835 WVZYGTJXENFFKO-SNVBAGLBSA-N 300.326 -0.053 30 20 DBED CNS(=O)(=O)CC(=O)NC[C@@H](C)Nc1ncccc1C#N 1097862947 HYFZEEMDXITUNK-SECBINFHSA-N 311.367 -0.581 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](n2cc(CNCCCO)nn2)C1 1098634695 VYTGUGAOYGVPEE-YPMHNXCESA-N 306.370 -0.317 30 20 DBED C#CCNCc1cn([C@@H]2CCN(C(=O)CCOCC#C)C2)nn1 1098673194 NHDSFPCEQIFABV-OAHLLOKOSA-N 315.377 -0.186 30 20 DBED C[C@@H](CCNC(=O)[C@H]1CCC(=O)N1)N=c1cc[nH]c(C#N)n1 1098929967 JQNVMJYEYKSFEW-VHSXEESVSA-N 302.338 -0.645 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)c2cnccn2)[C@H](O)C1 1099626879 GLXBDCFOPZSCRF-GXTWGEPZSA-N 306.366 -0.156 30 20 DBED Cn1cc(CN2CC[C@H](NC(=O)CSCC#N)[C@H](O)C2)nn1 1099693140 MCDUSTAGAHPQFG-NWDGAFQWSA-N 324.410 -0.877 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)c2nnn(C)c2C)[C@@H](O)C1 1099749434 JHJGAXURLGRHRG-STQMWFEESA-N 323.397 -0.509 30 20 DBED CCn1nncc1CN1CC[C@H](NC(=O)C#CC2CC2)[C@H](O)C1 1099825815 ARFXOIPBFLRYHI-LSDHHAIUSA-N 317.393 -0.237 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)[C@@H]2C[C@@H]3C[C@@H]3C2)[C@@H](O)C1 1099952501 URUVFTMMESPLAV-FQKPHLNHSA-N 319.405 -0.667 30 20 DBED C=CCCOCC(=O)N[C@H]1CCN(Cc2cnn(C)n2)C[C@@H]1O 1100139305 OXHCITXYDYKZBI-KBPBESRZSA-N 323.397 -0.541 30 20 DBED CN(CCNC(=O)[C@@]1(C)CCNC1=O)c1ccnc(C#N)n1 1100325669 QRUCYUVRXMXEBA-AWEZNQCLSA-N 302.338 -0.573 30 20 DBED C#CCNC(=O)[C@H](C)NC1CC(CNC(=O)c2[nH]nnc2C)C1 1100558047 UWJFZXOUSNARIJ-UNXYVOJBSA-N 318.381 -0.651 30 20 DBED COCC(=O)N[C@H](C(=O)NCC1CC(NCC#N)C1)C(C)C 1100740283 NPUJRVFKADMNDB-YIZWMMSDSA-N 310.398 -0.218 30 20 DBED N#Cc1nccc(N2CCC[C@@H]2CNC(=O)CNC(N)=O)n1 1100779562 NTEUGVGCAKYBJN-SECBINFHSA-N 303.326 -0.898 30 20 DBED CCC(=O)NCC(=O)NC[C@@H]1CCN(c2ccc(C#N)nn2)C1 1100951448 CYVITGVUJYXUCO-NSHDSACASA-N 316.365 -0.183 30 20 DBED CCCN(CCNC(=O)Cn1cncn1)c1cnc(C#N)cn1 1101145233 ISRHHSGKVUWOEW-UHFFFAOYSA-N 314.353 -0.027 30 20 DBED C[C@@H](CC(=O)N(C)CCNc1cncc(C#N)n1)NC(N)=O 1101785439 GURXXKCUHLDKKZ-VIFPVBQESA-N 305.342 -0.335 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)c2cncn2C)C1 1102123457 BFQSXTVUUUKJRI-CHWSQXEVSA-N 317.393 -0.533 30 20 DBED C[C@@H](CNC(=O)c1cnnn1C)CNc1cncc(C#N)n1 1103963913 RCEWQOZGVPBWKP-SECBINFHSA-N 300.326 -0.045 30 20 DBED CC#CCNCC[C@@H]1CN(C(=O)CS(=O)(=O)NC)C[C@H]1C 1105025186 OWPDVNVNYTYQBT-CHWSQXEVSA-N 315.439 -0.367 30 20 DBED N#CCNCc1cn(C2CN(C(=O)c3cc[n+]([O-])cc3)C2)nn1 1105144678 IFEBDFJYAYVHBT-UHFFFAOYSA-N 313.321 -0.778 30 20 DBED C#CCNCc1cn(C2CN(C(=O)C[C@H]3CCCO3)C2)nn1 1105171747 QZDURASRMZPJIH-CQSZACIVSA-N 303.366 -0.047 30 20 DBED C=C[C@H](C)[C@H](C)C(=O)N1CC(n2cc(CNCC(N)=O)nn2)C1 1105305941 UTTCOHVDQISLDF-QWRGUYRKSA-N 320.397 -0.306 30 20 DBED C#CCNCc1cn(C2CN(C(=O)c3ccc(O)nc3)C2)nn1 1105369896 PNTNQEBVHOZMFW-UHFFFAOYSA-N 312.333 -0.201 30 20 DBED N#Cc1cccnc1NC[C@@H](O)CNC(=O)CCCC(N)=O 1105883223 QXSOXEUZVBSJTJ-NSHDSACASA-N 305.338 -0.502 30 20 DBED Cc1nc[nH]c1C(=O)NC[C@H](O)CNc1nccnc1C#N 1105887945 JWKSEJCOIOGFGV-SECBINFHSA-N 301.310 -0.417 30 20 DBED C=CCCOCC(=O)NC[C@@H](O)CNc1nc[nH]c2ncnc1-2 1105889597 FMUQJLXGXCOHMU-SNVBAGLBSA-N 320.353 -0.214 30 20 DBED N#Cc1cncc(NC[C@H](O)CNC(=O)CCc2ccon2)n1 1106019004 FAZGYVOJZCWAIQ-LBPRGKRZSA-N 316.321 -0.142 30 20 DBED C[C@]1(CNC(=O)c2ccc(C#N)[nH]2)CN(CC(N)=O)CCO1 1107877463 SKSBYKXONVXIDC-AWEZNQCLSA-N 305.338 -0.808 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@]1(C)CN(CC#CCOC)CCO1 1107940114 OFPYUGVSAHCXEG-RDJZCZTQSA-N 322.405 -0.118 30 20 DBED C[C@H](CNc1cnc(C#N)cn1)NC(=O)C(=O)NCC(F)F 1108006498 QECOHCXCXDMDCG-SSDOTTSWSA-N 312.280 -0.354 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)[C@H]2CN(C(C)=O)CCO2)C1 1108373251 SDYJRTBHOYPHAW-ZBFHGGJFSA-N 323.393 -0.926 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)CC[C@@H](C)OC)CC2=O)C1 1108537770 VDSWZASAUWRWOI-CHWSQXEVSA-N 307.394 -0.164 30 20 DBED C#CCCN1CC(N2C[C@H](NC(=O)C3(COC)CC3)CC2=O)C1 1108557578 UXHJANZSXJJZJN-CYBMUJFWSA-N 319.405 -0.162 30 20 DBED C[C@H](CN(C)c1nccnc1C#N)NC(=O)[C@@H]1COCCN1C 1108942647 AUCNBJIFBQDFAJ-YPMHNXCESA-N 318.381 -0.380 30 20 DBED Cc1cc(N(C)C[C@H](C)NC(=O)[C@H]2CNC(=O)N2)c(C#N)cn1 1109210904 KZSWUYSIZWGSSV-CMPLNLGQSA-N 316.365 -0.116 30 20 DBED N#Cc1cccnc1NC[C@H](NC(=O)[C@H]1CNC(=O)N1)C1CC1 1109964090 ZTBXSCMEJJVCDS-NWDGAFQWSA-N 314.349 -0.059 30 20 DBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H](C)NC(C)=O 1110265671 WEKUPCIDLOGHCT-ASEORRQLSA-N 322.409 -0.465 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1110545998 INKGSNUTXWFQDY-SYQHCUMBSA-N 318.377 -0.614 30 20 DBED CC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN(C)C(=O)COC 1110623886 WJNIKNWRMIKBNM-MCIONIFRSA-N 307.394 -0.164 30 20 DBED CCO[C@H](C)C(=O)NC[C@]1(O)CCN(c2ccc(C#N)nn2)C1 1111029137 CYKXCTCYGSQQTK-IAQYHMDHSA-N 319.365 -0.169 30 20 DBED N#Cc1ccc(N2CC[C@@](O)(CNC(=O)c3cnon3)C2)nc1 1111091349 PFVYCLZZHQWTEL-CQSZACIVSA-N 314.305 -0.293 30 20 DBED CN(C)CCC(=O)NC[C@@]1(O)CCN(c2nccnc2C#N)C1 1111124625 QAIRSRMLUULOKG-HNNXBMFYSA-N 318.381 -0.643 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)COCCN(C)C 1111277267 IYVJIUGIEWSNGV-OAGGEKHMSA-N 323.437 -0.064 30 20 DBED N#Cc1cnc(N2CCC[C@@](CO)(NC(=O)C(N)=O)C2)c(F)c1 1111363598 AEBQXJHFMLTJJB-CQSZACIVSA-N 321.312 -0.975 30 20 DBED C=C(C)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CS(=O)(=O)NC 1111414227 CFCYZCGILCODHS-UTUOFQBUSA-N 301.412 -0.167 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCO 1111463164 BDGNLGWCSBBEFF-UPJWGTAASA-N 324.425 -0.036 30 20 DBED N#Cc1ccc(NCCN(CCO)C(=O)[C@H]2CCNC2=O)nc1 1111534527 BUCNGSVRFLZLFZ-LBPRGKRZSA-N 317.349 -0.678 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1112701193 DKPZHVOBAKIYFS-AAEUAGOBSA-N 317.349 -0.536 30 20 DBED C#Cc1cncc(C(=O)N2CCN(C[C@@H](O)COC)CC2)c1 1113331078 GMXOMAPQEGXFGE-OAHLLOKOSA-N 303.362 -0.172 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)c2cn(CC)nn2)CC1 1113474522 SIGNEHYGMUTCEZ-LBPRGKRZSA-N 318.381 -0.806 30 20 DBED C[C@H](CNC(=O)[C@@H]1COCCO1)N(C)c1cnc(C#N)cn1 1113501716 NBXQZSVPKHEURJ-PWSUYJOCSA-N 305.338 -0.295 30 20 DBED C[C@H](CNC(=O)CS(C)(=O)=O)N(C)c1cnc(C#N)cn1 1113520897 KPKQENQGNATMLY-SECBINFHSA-N 311.367 -0.666 30 20 DBED N#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)COC3CCCC3)[C@H]2C1 1113937237 CAPCSBNEMOZYDO-VIKVFOODSA-N 320.393 -0.368 30 20 DBED C#CCCCCC(=O)N[C@H]1[C@@H]2CN(Cc3nnn(C)n3)C[C@@H]21 1114160494 ZIMXLOZLFJWWPY-JYAVWHMHSA-N 302.382 -0.050 30 20 DBED C=CCOCCN1C[C@H]2C(NC(=O)c3cc(C(N)=O)c[nH]3)[C@@H]2C1 1115018774 YKRKUSYEAREAIA-VXGBXAGGSA-N 318.377 -0.024 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)Cn3ccnc3C)[C@H]2C1 1115243346 MMLSGGKBNCZCLG-STQMWFEESA-N 317.393 -0.460 30 20 DBED C=CCCOCC(=O)NC1[C@@H]2CN(CCN3CCNC3=O)C[C@@H]12 1115330422 MJLKZRUDLKALEM-CHWSQXEVSA-N 322.409 -0.349 30 20 DBED C=CCN(C(=O)[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 1115890364 HZDHMUWESCTBJH-GHMZBOCLSA-N 321.420 -0.377 30 20 DBED CCS(=O)(=O)CCCNC(=O)N1CC[C@@](O)(CC#N)C1 1118128257 ZWTVYNWTFAEIHO-LBPRGKRZSA-N 303.384 -0.129 30 20 DBED C=C(CC)CNC(=O)C(=O)N1CCC(C(=O)NCCO)CC1 1119234230 JMHDINMVSDBJLO-UHFFFAOYSA-N 311.382 -0.584 30 20 DBED C#CCSCC(=O)NS(=O)(=O)[C@@H](C)[C@@H](C)C(=O)OC 1119488182 PEDPPKZRAORXMB-BDAKNGLRSA-N 307.393 -0.004 30 20 DBED N#Cc1cnc(N[C@@H](CO)CNC(=O)[C@@H]2COCCO2)c(F)c1 1121142708 GTPBNXMZCKQLFX-PWSUYJOCSA-N 324.312 -0.603 30 20 DBED O=C(C#CC1CC1)NC[C@@H](CO)Nc1ncnc2[nH]cnc12 1121439693 RAIOQIDTHPHWDX-JTQLQIEISA-N 300.322 -0.345 30 20 DBED CN(C)[C@H](C(=O)NC[C@H](CO)Nc1cnc(C#N)cn1)C1CC1 1122154534 YZWIPIBZUXOXJB-OCCSQVGLSA-N 318.381 -0.423 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)C(C)(F)F 1122573603 AOJXYKAHSALRSH-QMMMGPOBSA-N 306.313 -0.252 30 20 DBED CCO[C@H]1C[C@H]1C(=O)NCCNCC(=O)N(CC)CCC#N 1124139527 HMQAJUHOLKHBLG-OLZOCXBDSA-N 310.398 -0.121 30 20 DBED CC[C@H](C(=O)N(C)C[C@@H](O)CNc1cnc(C#N)cn1)N(C)C 1124455987 RZSYQRIUKNZOOO-QWHCGFSZSA-N 320.397 -0.080 30 20 DBED CCN(C)CCC(=O)N(C)C[C@@H](O)CNc1ccc(C#N)nn1 1124493174 LOEKKRLGVUBOIN-ZDUSSCGKSA-N 320.397 -0.079 30 20 DBED CN(C[C@@H](O)CNc1cncc(C#N)n1)C(=O)c1cnn[nH]1 1124894437 BAMAAWZZSYJUHF-VIFPVBQESA-N 302.298 -0.989 30 20 DBED CCOCCNC(=O)CNCCNC(=O)c1cc(C#N)c[nH]1 1125391333 ZLLABEMIADDANM-UHFFFAOYSA-N 307.354 -0.642 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)c1cnn(C)c1N 1126085955 AYVLWNSWWPPBOS-UHFFFAOYSA-N 321.385 -0.916 30 20 DBED COCCN(CCNC(=O)CC(N)=O)c1nc(C)ccc1C#N 1126254675 KZROJOPSOLRUSB-UHFFFAOYSA-N 319.365 -0.294 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)Cn1cccc(C)c1=O 1127190577 XREACWZMADLENH-ZDUSSCGKSA-N 318.377 -1.000 30 20 DBED CCc1[nH]nc(C(=O)NCCNCC(=O)NCC#N)c1Cl 1129709615 KVCNOSXVYBQBCS-UHFFFAOYSA-N 312.761 -0.415 30 20 DBED C=CCCN[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)C[C@@H]1n1ccnn1 1130091215 GLACWYAPWBDQMF-XQQFMLRXSA-N 318.381 -0.526 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)CCc1cncnc1 1131350749 IWVGZOJVMFPWKD-GFCCVEGCSA-N 303.366 -0.747 30 20 DBED CC#CCN1CC[C@@]2(C1)CN(C(=O)CNC(N)=O)C[C@H](C)O2 1131632673 NOESCUYFAWZGDJ-SWLSCSKDSA-N 308.382 -0.630 30 20 DBED C#Cc1cncc(C(=O)NCCNC[C@@H]2CCS(=O)(=O)C2)c1 1133592753 AIBSTGMGVUUESZ-ZDUSSCGKSA-N 321.402 -0.183 30 20 DBED Cc1nn(C)cc1C(=O)N[C@@H](C)C[C@@H](C)NCC(=O)NCC#N 1133937345 XNJQUMCUPXPNIF-MNOVXSKESA-N 320.397 -0.145 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)COC1CCOCC1 1134640820 MZYNCXYYWBHRDC-GFCCVEGCSA-N 313.398 -0.422 30 20 DBED C#CCN[C@H](C)C[C@@H](C)NC(=O)CCn1cc[nH]c(=O)c1=O 1135686712 MBKPOIIQZIQGQI-VXGBXAGGSA-N 306.366 -0.567 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@@H]1CCCCN(C)C1=O 1147634135 FEKWZRXGFLIADL-LBPRGKRZSA-N 310.398 -0.747 30 20 DBED C=CCNC(=O)CN1CCCO[C@H](CNC(=O)COCC)C1 1149074702 SSIFERLHUQITDW-CYBMUJFWSA-N 313.398 -0.468 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)CS(=O)(=O)CCC)C1 1150732061 XQFHDXVMLBQWFO-ZDUSSCGKSA-N 316.423 -0.349 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1cccn2nccc12 1161803985 MLHVJSCKAXNYGI-UHFFFAOYSA-N 313.361 -0.207 30 20 DBED C=CCNC(=O)CNCCCNC(=O)CCc1nc(C)no1 1163628840 PVPHGSLRPGGSEE-UHFFFAOYSA-N 309.370 -0.291 30 20 DBED C=CCNCC1(CCNC(=O)[C@@H]2CCS(=O)(=O)N2)CC1 1168192552 WAZPHTMZDQWYCS-NSHDSACASA-N 301.412 -0.260 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)[C@H]1CCC(=O)N(C)C1 1177026469 SLRJDCKMWDFHOD-OLZOCXBDSA-N 322.409 -0.911 30 20 DBED CN(C)c1ccc(C(=O)NCCCNCC(=O)NCC#N)nc1 1177155934 QZTNBTRWEFBCGZ-UHFFFAOYSA-N 318.381 -0.503 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2ncccc2O)[C@H]1C 1178529891 NPEDNXTZRQDEHO-RYUDHWBXSA-N 316.361 -0.271 30 20 DBED CC#CCN[C@H]1CCN(C(=O)CN2CCN(C)C(=O)C2)[C@H]1C 1179025345 OJJOLERQIMHEGL-KBPBESRZSA-N 306.410 -0.637 30 20 DBED CC(C)N1CCC[C@@H]1C(=O)N1CC[C@@H](NCC(=O)NCC#N)C1 1182472963 MGUYEGCLTTXWLA-ZIAGYGMSSA-N 321.425 -0.311 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2[nH]nnc2C)C1 1184784189 CIGGPGISXNTQNC-WDEREUQCSA-N 304.354 -0.945 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)Cc2nonc2C)C1 1186703689 POYAAKYNSPGLIK-VXGBXAGGSA-N 321.381 -0.198 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3cc(C)[nH]n3)[C@@H]2C1 1187048164 SJJFASILALVELY-GXTWGEPZSA-N 315.377 -0.386 30 20 DBED Cc1ccc(C(=O)N2CC[C@H](N(C)CC(=O)NCC#N)C2)nn1 1190055038 VSNKKJQFZPYQDP-LBPRGKRZSA-N 316.365 -0.429 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)SC)C1 1191262543 PKMURMZOBDUJFS-GMTAPVOTSA-N 301.412 -0.799 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@H]1CCN(C(=O)Cc2cnoc2)C1 1191929768 ARCITTXAQCLIMI-OCCSQVGLSA-N 318.377 -0.112 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)CN2CCC[C@@H]2C)C1 1192343227 NRJJKITWQQDZFC-GJZGRUSLSA-N 320.437 -0.247 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1O 1192397401 YJGZIKFOATWPFK-HUUCEWRRSA-N 315.373 -0.513 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)C(C)(C)NC(C)=O)C1 1192887535 DYRQKRNTNYZWLD-CYBMUJFWSA-N 324.425 -0.264 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2csnn2)C[C@H]1O 1192892490 YOONBUHNMZUEHY-MVWJERBFSA-N 310.379 -0.762 30 20 DBED COCC#CCN(C)[C@H]1CCN(C(=O)[C@H](C)N2CCOCC2)C1 1194533015 ZQPZGDOBZIXBMC-HOTGVXAUSA-N 323.437 -0.110 30 20 DBED N#CCSCC(=O)N1CCCN(Cc2nc(O)n[nH]2)CC1 1194919409 UABHZDYRKVRNFD-UHFFFAOYSA-N 310.383 -0.199 30 20 DBED C[C@H](C#N)C(=O)N1CCCO[C@H](CNCC(=O)N(C)C2CC2)C1 1200114114 AQALBXMBKVDGPJ-TZMCWYRMSA-N 322.409 -0.026 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC(NCC(=O)NCC#N)CC1 1200495541 SFEFKYIYBYVWMF-LBPRGKRZSA-N 306.366 -0.755 30 20 DBED CC#CCNC1CCN(C(=O)COCc2ncnn2C)CC1 1203143038 IEIIRYGPIDFBMD-UHFFFAOYSA-N 305.382 -0.064 30 20 DBED COCC#CCN[C@H]1C[C@@H](NC(=O)Cn2cncn2)C12CCC2 1203695325 RAIUJNPYIKWOAG-UONOGXRCSA-N 317.393 -0.055 30 20 DBED CC(C)C#CC(=O)N1C[C@H]2CC[C@H]1[C@H](NCC(=O)NC(N)=O)C2 1204302243 BTTGZYRNWSSZRY-XQQFMLRXSA-N 320.393 -0.190 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)Cc2ncc[nH]2)CC1 1206684170 WKUYFVHCRWMRRS-UHFFFAOYSA-N 317.393 -0.470 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)[C@@H](C)n2cncn2)[C@H](C)C1 1206877688 XKQJCRBTEOPBLR-JHJVBQTASA-N 320.397 -0.422 30 20 DBED Cc1noc(C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@H]2C)c1C 1207662988 DRIYFADYVDNZKB-BXKDBHETSA-N 319.365 -0.019 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)Cc2[nH]cnc2C)[C@H](C)C1 1210606117 ZJARVPDERJSGJU-BXUZGUMPSA-N 319.409 -0.001 30 20 DBED N#CCN[C@H]1CCCN(C(=O)CCC(=O)N2CCOCC2)C1 1210966104 NJDTYXQICJFMKL-ZDUSSCGKSA-N 308.382 -0.270 30 20 DBED C#CCN[C@@H]1CN(C(=O)CCNC(=O)c2cnccn2)C[C@H]1C 1216787913 UNDXTAOOGGUDKW-TZMCWYRMSA-N 315.377 -0.334 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2[C@H]3CCC[C@H]32)C1 1219417787 DQZGVWXKDNMHCQ-JYKNGBAOSA-N 307.394 -0.504 30 20 DBED CCCC[C@@H](C)C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@@H]1O 1219561040 YATLFETXIKUDOU-UPJWGTAASA-N 310.398 -0.386 30 20 DBED C=CCC(C)(C)C(=O)N[C@@H]1CN(C[C@@H](O)COC)C[C@@H]1O 1220434594 RUTGLUQSIFOWJX-UPJWGTAASA-N 300.399 -0.243 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@@H](NC(N)=O)C(C)(C)C)C1 1220761756 BVILBQZJJCRROI-GRYCIOLGSA-N 310.398 -0.746 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C[C@H](CC)C(C)C)C1 1220801758 KMHZUQHFLGUFKL-ZNMIVQPWSA-N 323.437 -0.031 30 20 DBED C=CCOCCN1CC[C@@H]2CN(C(=O)c3nnn(C)n3)[C@@H]2C1 1221741404 ZTMRWORBIKJPEH-VXGBXAGGSA-N 306.370 -0.441 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)COCCC=C)[C@@H]2C1 1222064441 URJYOJNUSGBBLC-HUUCEWRRSA-N 319.405 -0.139 30 20 DBED C=CCNC(=O)[C@H](C)N1CCC(CNC(=O)CC(N)=O)CC1 1222701190 QXFURYFCTMEMTI-NSHDSACASA-N 310.398 -0.619 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)CC2(O)CCC2)CC1 1223123541 WHYLQAGHAAWHKW-UHFFFAOYSA-N 321.421 -0.131 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CCCC[C@H]1NCCNS(C)(=O)=O 1225427616 USOJJGQFHNCOEQ-IJLUTSLNSA-N 316.427 -0.288 30 20 DBED C#CCNC(=O)CC(=O)NC1CCN(CC#CCOC)CC1 1226961427 BXYSTRCBAQLPAA-UHFFFAOYSA-N 305.378 -0.644 30 20 DBED CCS(=O)(=O)N[C@@H](C)C(=O)NC1CCN(CC#N)CC1 1227473969 HKELYSPELTWDRV-JTQLQIEISA-N 302.400 -0.582 30 20 DBED Cc1nc(O)[nH]c1C(=O)NC1CCN(CC(=O)NCC#N)CC1 1227899405 FRBROVUGNPCMIZ-UHFFFAOYSA-N 320.353 -0.742 30 20 DBED CC#CCN1CCC(NC(=O)CCCN2C(=O)CNC2=O)CC1 1230226207 BHOBNQKAEMBUPZ-UHFFFAOYSA-N 320.393 -0.078 30 20 DBED C[C@@H](C#N)C(=O)N(C)C[C@@H]1CCN1CC(=O)NC(=O)NC1CC1 1231245720 AQHCCILJMRCDOB-JQWIXIFHSA-N 321.381 -0.333 30 20 DBED C=C[C@](C)(O)CC(=O)N(C)C[C@H]1CCN1CC(=O)NC(N)=O 1233977226 MKHZCZQNCJYOLY-YGRLFVJLSA-N 312.370 -0.959 30 20 DBED C=C[C@@H](COC)NC(=O)N1CCC(CS(N)(=O)=O)CC1 1256594095 CPAJIWILZIVULF-NSHDSACASA-N 305.400 -0.103 30 20 DBED CC#CCN1CCC[C@H](NC(=O)CN(C)S(=O)(=O)CC)C1 1267634010 ZIQIUXWOJUAJAH-ZDUSSCGKSA-N 315.439 -0.128 30 20 DBED CCOC(=O)CCNC(=O)CCN/C(O)=C1/N=CC=CC1=O 1318860036 KNSNMCSONUJVMH-YPKPFQOOSA-N 309.322 -0.028 30 20 DBED CC(C)(C(N)=O)N1CCN(CC(=O)N[C@](C)(C#N)C2CC2)CC1 1319107645 VZXBGOWNQBHNPG-MRXNPFEDSA-N 321.425 -0.324 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N1CCC2(CC1)CNC(=O)C2 1323588664 UXIGHIVNXLTHFP-NSHDSACASA-N 309.366 -0.568 30 20 DBED C=CCN1CCC(NC(=O)C(=O)NCCC(=O)NC(C)C)CC1 1324403539 LRGWZXHMVNNVPN-UHFFFAOYSA-N 324.425 -0.216 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N(C)Cc2cnn(C)c2)nn1 1326717849 AOSIBCYMSKPRNG-UHFFFAOYSA-N 317.353 -0.528 30 20 DBED C#CC1CCN(C(=O)C(=O)NCc2nnc3n2CCC3)CC1 1332181801 NQENKXBNWAKLJU-UHFFFAOYSA-N 301.350 -0.288 30 20 DBED C[C@@H](CN1CCCC1=O)NC(=O)C(=O)N1CCC[C@@H](C#N)C1 1332658041 SUHXFWMSRQQQQQ-RYUDHWBXSA-N 306.366 -0.124 30 20 DBED C=CCN(C(=O)C(=O)N1CC[C@@H](CC(N)=O)C1)[C@H](C)COC 1333466483 DLIBUVOSNVDNRX-NEPJUHHUSA-N 311.382 -0.240 30 20 DBED C=CCn1c(C[C@H](C)O)nnc1N1CCN(C(=O)COC)CC1 1340436157 PZRKGQNWBKBLBC-LBPRGKRZSA-N 323.397 -0.318 30 20 DBED C[S@@](=O)CCNC(=O)C(=O)NCc1ccc(OCC#N)cc1 1341800038 PXCBOQQYIWXXIU-JOCHJYFZSA-N 323.374 -0.300 30 20 DBED C=CCNC(=O)CNC(=O)C(=O)Nc1cnc(C2CC2)nc1 1341857620 TXLRJQBKJXUPOI-UHFFFAOYSA-N 303.322 -0.289 30 20 DBED COCCN(C(=O)[C@H](N)CCCC#N)[C@@H]1CCS(=O)(=O)C1 1345482391 AONAUABSVQBYGK-VXGBXAGGSA-N 317.411 -0.330 30 20 DBED C[C@@H]1CN2CCN1C[C@@H]2C(=O)NCCNc1ncccc1C#N 1345679325 CKXRJNLQUBREAW-TZMCWYRMSA-N 314.393 -0.130 30 20 DBED C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)CCO1 1352329750 KOJZYAYHHKJDIB-YRGRVCCFSA-N 320.393 -0.131 30 20 DBED Cn1ncc(Br)c1CNC(=O)Cn1cnc(C#N)n1 1363511383 KFKVXXVSGBELGY-UHFFFAOYSA-N 324.142 -0.038 30 20 DBED COCCN(CCC#N)S(=O)(=O)NC[C@@H]1CC(C)=NO1 1365404910 XLKFXBNPWWUPCD-NSHDSACASA-N 304.372 -0.152 30 20 DBED COc1cc(OC)nc(C(=O)NC[C@H](C)NC(=O)[C@@H](C)C#N)n1 1372958107 KUTZWODWUVQVPT-IUCAKERBSA-N 321.337 -0.112 30 20 DBED CC(C)CS(=O)(=O)CC(=O)NC[C@H](C)NC(=O)[C@@H](C)C#N 1372961141 LMGZBBCQFQZHNX-QWRGUYRKSA-N 317.411 -0.162 30 20 DBED C[C@@H](C#N)C(=O)N(C)CC1CCN(C(=O)[C@@H]2COC(=O)N2)CC1 1388906256 LOIUVPMMPCYRMG-JQWIXIFHSA-N 322.365 -0.049 30 20 DBED C[C@H](C#N)C(=O)N(C)CCN[C@H](C)C(=O)NC(=O)NC1CC1 1391205183 AHIDGOBQZVETRZ-NXEZZACHSA-N 309.370 -0.429 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)CCc2cnccn2)C1 1396444438 UDQQMHGSIAHHSZ-RTXFEEFZSA-N 317.349 -0.743 30 20 DBED CC(=O)N[C@@H](C)C(=O)NC[C@H](O)CNCc1cccc(C#N)c1 1406184624 CQMWJNJJLGFCKX-XHDPSFHLSA-N 318.377 -0.350 30 20 DBED C[C@@H](C[S@](C)=O)N(C)C(=O)Cn1cc(C#N)c(O)nc1=O 1412748459 JMDICGZFXSWNPU-PPRQPISWSA-N 312.351 -0.954 30 20 DBED CC(C)NC(=O)CNC[C@@H](O)CN(C)C(=O)c1cc(C#N)c[nH]1 1425988867 SMEWQTGRRBCJTE-GFCCVEGCSA-N 321.381 -0.567 30 20 DBED CC[C@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)[C@@H]1COC(=O)N1 1450887417 PFVSRLCTQLQDLF-KOLCDFICSA-N 319.321 -0.381 30 20 DBED COC[C@H](O)CNC[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 1491796631 YKNPOSHVGPVFNZ-DGCLKSJQSA-N 306.366 -0.055 30 20 DBED C=C(Cl)CN(CC)CCNC(=O)[C@@H]1CCS(=O)(=O)N1 1493058785 QDHJQWLRYJWSSO-JTQLQIEISA-N 309.819 -0.131 30 20 DBED CC(=O)NCC(C)(C)C(=O)N1CC(CNC(=O)[C@H](C)C#N)C1 1498678026 ONVIEHAGZKNVHO-SNVBAGLBSA-N 308.382 -0.117 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](C)CN(C)C(=O)CN(C)S(C)(=O)=O 1510605935 FMBQOELRJYPITJ-VHSXEESVSA-N 318.399 -0.999 30 20 DBED C[C@@H](C#N)C(=O)NCCN1CCN(C(=O)c2ccn(C)n2)CC1 1524093928 CWZWCVUQQIOQKK-LBPRGKRZSA-N 318.381 -0.546 30 20 DBED C=C(Cl)C[C@H](NC(=O)c1cnn(C[C@H](O)CO)c1)C(=O)O 1573307572 LGICXUCJUWJAJJ-UWVGGRQHSA-N 317.729 -0.438 30 20 DBED C#Cc1ccc(C(=O)N[C@H](C)[C@@H](C)NC(=O)CNC(=O)O)nc1 1573311807 HFWROZCUNXZWJO-NXEZZACHSA-N 318.333 -0.047 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1573562328 SHMNRRNSYIMTTC-ZETCQYMHSA-N 314.309 -0.705 30 20 DBED CN(C(=O)Cn1cnc(C#N)n1)[C@H](C(=O)O)c1cccnc1 1573852160 IELQFOIEZQACTP-LBPRGKRZSA-N 300.278 -0.171 30 20 DBED N#CC1(C[C@H](O)CN2CC[C@H](N3C(=O)O[C@H]4CNC[C@H]43)C2)CC1 1580038330 KORAKAITFUVOBZ-FQUUOJAGSA-N 320.393 -0.092 30 20 DBED N#Cc1nc(N2CCC(c3nn[nH]n3)CC2)cnc1-c1nn[nH]n1 1581879395 JGJYBGSIEZSNOW-UHFFFAOYSA-N 324.312 -0.575 30 20 DBED C#CCN(CC(=O)O)C(=O)[C@H]1CNC(=O)C[C@H]1C(F)(F)F 1588399147 GTZGHIVVQOVOPI-JGVFFNPUSA-N 306.240 -0.153 30 20 DBED C#CCN(CC(=O)O)C(=O)c1ccc(NS(C)(=O)=O)nc1 1588416229 KCDMBDKUJYVCLH-UHFFFAOYSA-N 311.319 -0.387 30 20 DBED C=CCOCC(=O)N[C@H](C)CN=c1cc[nH]cc1-c1nn[nH]n1 1588676627 YGNHRHFBMXOJSS-SNVBAGLBSA-N 317.353 -0.197 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](C)N=c1cc[nH]c(-c2nn[nH]n2)n1 1589849753 LRHVABWQLXOIBN-JGVFFNPUSA-N 301.314 -0.845 30 20 DBED CN(CCCc1[nH]nc(N)c1-c1nn[nH]n1)C(=O)NCCC#N 1591090383 VQGYDPKTAREWKH-UHFFFAOYSA-N 318.345 -0.340 30 20 DBED N#Cc1ccc(CNC(=O)CN2C[C@@H](O)C[C@@H](C(=O)O)C2)cc1 1601100695 UXQYVNXQCBWCST-KGLIPLIRSA-N 317.345 -0.058 30 20 DBED C#CCOCCNc1cccc(S(N)(=O)=O)c1-c1nn[nH]n1 1609021478 BNEZRKGETMYIPV-UHFFFAOYSA-N 322.350 -0.424 30 20 DBED C#C[C@@H]1COCCN1C(=O)C(=O)Nc1cc(C)[nH]c1C(=O)O 1609058097 PATOYNGZVPHNNF-SECBINFHSA-N 305.290 -0.180 30 20 DBED C[C@H](CCNC(=O)c1cc(C#N)c[nH]1)N[C@H]1CCC(=O)NC1=O 1753004205 SAYRUTAABSQGGE-KOLCDFICSA-N 317.349 -0.210 30 20 DBED C#CCNC(=O)CN(CCNC(=O)[C@@H]1C[C@@H]1C(=O)OC)C1CC1 1753152857 PVFPASBKKFGNMJ-OLZOCXBDSA-N 321.377 -0.875 30 20 DBED C=CCNC(=O)CN1CC(NC(=O)CCc2ncccn2)C1 1753388952 FBKZCJINXFNCJM-UHFFFAOYSA-N 303.366 -0.488 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H](CC)CNC(=O)Cc1cc[nH]n1 1753469409 ZJOJMGGXBZMUGU-VXGBXAGGSA-N 305.382 -0.426 30 20 DBED COCC#CCNC[C@@H](O)CNC(=O)CCc1ccnc(C)n1 1753922516 STEYOQDGTYQYTE-OAHLLOKOSA-N 320.393 -0.566 30 20 DBED C#CCNC(=O)CNCCN(CC)C(=O)c1cccnc1OC 1754065123 UBMNOZAXJNQADC-UHFFFAOYSA-N 318.377 -0.109 30 20 DBED C#CCNC(=O)CNC/C=C\CNC(=O)c1ccc(C#C)nc1 1754197861 SVOSVWQTNNPWJJ-WAYWQWQTSA-N 310.357 -0.312 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CNC(=O)c1cc(OCC)n[nH]1 1754486460 OYHIWZCKNNGAQL-NSHDSACASA-N 319.365 -0.638 30 20 DBED C=CCNC(=O)[C@H](C)NC[C@@H]1CN(C(=O)COCC)CCO1 1754993951 AJISMDTYTGDEMS-QWHCGFSZSA-N 313.398 -0.469 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)CN(C)C(=O)C3CC3)CO2)C1 1755062113 VMLXEDBWRAXVRU-CYBMUJFWSA-N 305.378 -0.553 30 20 DBED C=CCOCC(=O)N1CCC(C)(NCc2nnn(C)n2)CC1 1755128395 CFCOOMVKECRTHC-UHFFFAOYSA-N 308.386 -0.117 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@@H](CNCCN1C(=O)CNC1=O)C1CC1 1755555130 HIZNNNQMPJXTMW-PWSUYJOCSA-N 321.381 -0.476 30 20 DBED C=CCNC(=O)NC(=O)CN[C@@H]1C[C@H](C)N(C(=O)COC)C1 1755668588 DRMBIKMHMFUDSN-WDEREUQCSA-N 312.370 -0.776 30 20 DBED CC(C)C[C@@]1(C(=O)N(C)C[C@@H](O)CNCC#N)CCNC1=O 1755781490 FYKAOUQBKIDNEY-WFASDCNBSA-N 310.398 -0.529 30 20 DBED CNC(=O)C1(C(=O)NC2CC(CNC(=O)[C@H](C)C#N)C2)CC1 1755938927 KOWLVOUZFOTBCZ-KPPDAEKUSA-N 306.366 -0.317 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H](C)N(C)C(=O)CCn1ccnn1 1756026145 AMVKAMWKRBPHMF-STQMWFEESA-N 321.381 -0.330 30 20 DBED C=CCn1cc(C(=O)N(C)C[C@H](O)CNC(=O)CC2CC2)nn1 1756662672 IPPBYUMCEIBNRD-GFCCVEGCSA-N 321.381 -0.187 30 20 DBED CN(C[C@@H](O)CNC(=O)C#CC(C)(C)C)C(=O)C1(C(N)=O)CC1 1756675549 ANLQRWVVQDGTCW-NSHDSACASA-N 323.393 -0.763 30 20 DBED COCCOCC(=O)N[C@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1O 1757564137 RJXBUSIRAWHHIF-KBPBESRZSA-N 324.377 -0.859 30 20 DBED O=C1C[C@H](C(=O)N=C2NS(=O)(=O)c3ccccc32)CCN1 1771621359 LHLKVYAKBYGBIT-MRVPVSSYSA-N 307.331 -0.222 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)CN1CCCCC1)CCO2 1783049637 JOIHBDWGCBOUTI-QGZVFWFLSA-N 319.405 -0.065 30 20 DBED CCCC(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783561117 FLDQOTFHKTUTAN-HNNXBMFYSA-N 308.334 -0.296 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ncccn1)C2 1800451437 ZLAHJOLMTMGAGO-DRXBFXEBSA-N 314.345 -0.758 30 20 DBED COC(=O)NCC(=O)N1CCCC12CN(C(=O)CCC#N)C2 1846511177 RSBHBJDSNULYMX-UHFFFAOYSA-N 308.338 -0.150 30 20 DBED N#C[C@@H]1COCCN1C(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1 268062751 AODSEVHUMGPZMQ-BXKDBHETSA-N 322.346 -0.533 30 20 DBED C#CCCN1CCN(C(=O)[C@@H](NC(=O)C2CC2)[C@H](C)O)CC1 272449487 NHEMWOXENBEVCG-JSGCOSHPSA-N 307.394 -0.571 30 20 DBED N#CC1(CS(=O)(=O)N2CC[C@](CC(=O)O)(C(=O)O)C2)CC1 275169679 VDGGWBPDZIQVAO-GFCCVEGCSA-N 316.335 -0.129 30 20 DBED CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NCC#N)cc1 299724138 YXGXYYVTOMCBIF-UHFFFAOYSA-N 324.362 -0.095 30 20 DBED N#CCC(=O)N1CCN(C(=O)[C@H]2CCCCS2(=O)=O)CC1 329165994 HLBNSJGUZMXZDU-LLVKDONJSA-N 313.379 -0.462 30 20 DBED CN1C[C@@H](/N=C(/O)N2CC(=O)N(CC(F)(F)F)C2)CC1=O 330132035 LGLPNZBTYHIPKS-ZETCQYMHSA-N 308.260 -0.205 30 20 DBED CN1CCO[C@@H]2CN(S(=O)(=O)c3cccnc3C#N)C[C@H]21 330303685 KASJBSQIWXCBSH-VXGBXAGGSA-N 308.363 -0.343 30 20 DBED CCN(C[C@H](C)C#N)C(=O)CN1CCN2C(=O)NC(=O)[C@@H]2C1 330515890 VXAXEIZUPQGCFW-MNOVXSKESA-N 307.354 -0.769 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@@]2(C)CCC(=O)NC2)CC1 330958333 WQBHSJGABQMNGK-INIZCTEOSA-N 322.409 -0.651 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N1CCC[C@H](S(N)(=O)=O)C1 336956878 ZYRXSGZTJNQJPX-ZJUUUORDSA-N 324.428 -0.924 30 20 DBED CCCCN(C)CCNS(=O)(=O)N1CCO[C@H](C#N)C1 337105137 ZBTJXNIMIGYTHB-GFCCVEGCSA-N 304.416 -0.223 30 20 DBED C=CCNC(=O)NC(=O)CN1CCC[C@@H](S(C)(=O)=O)CC1 337425024 WIDMWTFWNJQHEU-LLVKDONJSA-N 317.411 -0.103 30 20 DBED C=C[C@@](C)(O)CC(=O)NCc1ccc(C(=O)NCC(N)=O)cc1 346226229 VTFUXXQMVWBFFX-MRXNPFEDSA-N 319.361 -0.155 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)NC[C@@H]2CC[C@@H](CO)O2)cc1 349486949 LPUBTAHATCNOPO-KBPBESRZSA-N 317.345 -0.056 30 20 DBED N#Cc1cnn(-c2ccc(C(=O)N[C@H]3CNC(=O)C3)cc2)c1N 354149461 PIJGRZWHZJPAFW-LLVKDONJSA-N 310.317 -0.056 30 20 DBED C=C[C@H](CO)NC(=O)C(=O)Nc1cccc2c1oc(=O)n2C 354561517 GJTKDNNKZWUJGU-MRVPVSSYSA-N 305.290 -0.267 30 20 DBED N#Cc1ccccc1S(=O)(=O)N1CC[C@H](S(N)(=O)=O)C1 358603226 SWOZLAMKSBNZCG-JTQLQIEISA-N 315.376 -0.390 30 20 DBED CC#CCCNC(=O)NCCC(=O)N1CCN(C(C)=O)CC1 361455607 BQMMKOBQKUAJRP-UHFFFAOYSA-N 308.382 -0.220 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@H](n2cc(C(=O)OC)nn2)C1 375212728 XRJSGLNTXCAUCP-QWRGUYRKSA-N 305.338 -0.551 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N1CCC[C@H]1C(=O)N(C)C 407957673 ZTPDORBLTAQMAB-MNOVXSKESA-N 302.400 -0.125 30 20 DBED C#CCNC(=O)C1CCN(C(=O)[C@H](C)CN2CCOCC2)CC1 491068217 NCANZNSPFKJACP-CQSZACIVSA-N 321.421 -0.057 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)C[C@H]2C[C@H]3CC[C@H]2O3)CC1 491752431 ZLAYOHANRNCYDQ-RBSFLKMASA-N 319.405 -0.162 30 20 DBED C[C@@H](C#N)CNC(=O)[C@](C)(O)CN1C(=O)NC2(CCCC2)C1=O 527244552 NMLXEVZGBNEYAP-IINYFYTJSA-N 322.365 -0.122 30 20 DBED Cc1nc(O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CN(C)NC1=O 539780244 GYPDEDIGCZFZBN-GFCCVEGCSA-N 317.349 -0.330 30 20 DBED O=C(NCC#CCO)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 565202441 BQCCHDOTSDDHLY-SNVBAGLBSA-N 321.289 -0.096 30 20 DBED N#CCNC(=O)CNC(=O)N1CCNC(=O)[C@H]1c1ccccc1 577647250 CUWMRZWAGAZKOG-CYBMUJFWSA-N 315.333 -0.491 30 20 DBED CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)N2CC[C@@](O)(CC#N)C2)O1 591998105 ATWDMYFOIDVFBB-HUBLWGQQSA-N 324.381 -0.318 30 20 DBED N#Cc1ccccc1OC[C@@H](O)CNC[C@@H](O)Cn1ccnn1 600745031 CSTVAOOBAUODAE-KGLIPLIRSA-N 317.349 -0.460 30 20 DBED CC#CC[C@H](CO)NC(=O)NC[C@H]1CC[C@H](C(=O)N(C)C)O1 645413547 AVQGYZCJNLVELC-JHJVBQTASA-N 311.382 -0.304 30 20 DBED C=CC[C@@H](C)NC(=O)NCCS(=O)(=O)N1CCOCC1 735096724 VIBOLOQOTLOXPS-LLVKDONJSA-N 305.400 -0.088 30 20 DBED COC(=O)CN(CC#N)C(=O)c1ccc(-c2nn[nH]n2)nc1 736919901 YSDYMVHCKTYPNQ-UHFFFAOYSA-N 301.266 -0.600 30 20 DBED CCNS(=O)(=O)[C@H]1CCN(Cn2ccc(C)c(C#N)c2=O)C1 758249002 ONBPLTAQEBSNTM-LBPRGKRZSA-N 324.406 -0.001 30 20 DBED CS(=O)(=O)N1CCC[C@@H]1C(=O)OC1CCN(CC#N)CC1 770780076 AAUAJPBLQVSDMR-GFCCVEGCSA-N 315.395 -0.058 30 20 DBED C[C@H](OC(=O)Cn1ncn(C)c1=O)C(=O)NC1(C#N)CCC1 787780702 SQSSRMXCKOYTBY-VIFPVBQESA-N 307.310 -0.924 30 20 DBED C#CCC[C@@H](O)CNS(=O)(=O)c1cnn(CC(=O)OC)c1 798486317 HELOIJAWDYGGQI-SNVBAGLBSA-N 315.351 -0.891 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@@H]1CCN(C)[C@@H](C)C1)[C@@H]1CCCO1 806041945 LZFIEKWUWPNNRY-CRWXNKLISA-N 307.394 -0.118 30 20 DBED CC[C@@H](NC(=O)[C@](C)(C#N)CC(=O)O)C(=O)N1CCOCC1 820278182 IHUNSSOMRHJHFS-YGRLFVJLSA-N 311.338 -0.255 30 20 DBED CNC(=O)COC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 821700875 CNZPBCCQNCGCJA-UHFFFAOYSA-N 311.319 -0.986 30 20 DBED C#CCO[C@H](C)C(=O)N1CCN([C@H](C)C(=O)NC2CC2)CC1 822303693 ZVXMANKFEAQAPS-CHWSQXEVSA-N 307.394 -0.164 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CC[C@H](OC)C2)CC1 825968629 XBJVVIRLSJVFST-KGLIPLIRSA-N 307.394 -0.305 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)c2cc(O)n(C)n2)CC1 826555206 QVXZFCXCZUJDGR-UHFFFAOYSA-N 319.365 -0.977 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O 830770479 AIMVRPWTRLORLM-SRVKXCTJSA-N 320.345 -0.157 30 20 DBED N#C[C@@H]1CNC[C@H]1NC(=O)CN1C(=O)COc2ccccc21 834504828 FPLPQFXWFMBBLN-GHMZBOCLSA-N 300.318 -0.360 30 20 DBED C#CCN(C(=O)NC[C@H](C)C(=O)O)[C@H]1CCS(=O)(=O)C1 848584649 DOUZXTYGFXZOKW-UWVGGRQHSA-N 302.352 -0.461 30 20 DBED COCCNC(=O)[C@@H](C#N)C(=O)Cc1nnn(C(C)(C)C)n1 850757649 NUEQXZBLRVNSBJ-VIFPVBQESA-N 308.342 -0.558 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)NC1COC(C)(C)OC1 875230655 JQWGYCVRUKITBY-NSHDSACASA-N 312.366 -0.201 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N(C[C@@H](C)O)[C@@H](C)CO 875595874 FWPGXAZNXFFHDC-YNEHKIRRSA-N 314.382 -0.879 30 20 DBED COCCNC(=O)[C@H](C#N)C(=O)[C@@H](C)NC(=O)c1ccoc1 916890736 LOVNZXMVWNVHHQ-MWLCHTKSSA-N 307.306 -0.131 30 20 DBED C#CCN1CC[C@H](NC(=O)CN2CCCS2(=O)=O)[C@@H](C)C1 942106264 NAYKJLBBZSRWRP-STQMWFEESA-N 313.423 -0.518 30 20 DBED O=C1C[C@H](C(=O)NC[C@H]2CCN2C(=O)C#CC2CC2)CCN1 949351984 HBQAHQHRXDHMMG-CHWSQXEVSA-N 303.362 -0.357 30 20 DBED C=C(C)CN1C[C@H](CNC(=O)c2ccc(=O)n(CC)n2)[C@@H](O)C1 958494379 OZMYFWZPQHKBJR-JSGCOSHPSA-N 320.393 -0.138 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2ncc3n2CCCC3)C1 958716647 NOCGMUXJRROUIX-TZMCWYRMSA-N 302.378 -0.125 30 20 DBED C#CCCN1C[C@@H]2C(NC(=O)c3ccc(S(N)(=O)=O)o3)[C@H]2C1 960774721 LXOAMCKTLCYZCL-UWVGGRQHSA-N 323.374 -0.390 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)CCn3cncn3)C[C@@H]2C1 961018050 GVDQMZIMVJYBBN-RWMBFGLXSA-N 316.365 -0.255 30 20 DBED C=C(C)CN1C[C@H]2C(NC(=O)c3nccnc3C(N)=O)[C@@H]2C1 962513250 RVUCYTZMHBRVRU-NXEZZACHSA-N 301.350 -0.188 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@H](NC(=O)Cn2nccn2)C1 964031766 VBCANGWMEQPJCK-MNOVXSKESA-N 307.354 -0.822 30 20 DBED C=CCn1cc(C(=O)N2CCC[C@H](NC(=O)C(N)=O)CC2)nn1 965147773 KVWZAAJTFLDXQN-JTQLQIEISA-N 320.353 -0.940 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](C)[C@H](NC(=O)Cn2ncnn2)C1 966661290 HHCJKCYMPQDJIH-WDEREUQCSA-N 306.370 -0.152 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)[C@@H](C)n3cncn3)C2)C1 972348793 SIGWTLBUWXUXJX-HIFRSBDPSA-N 303.366 -0.224 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)c3cc4n(n3)CCO4)C2)C1 972413168 HCHOAUFCERGOMU-INIZCTEOSA-N 316.361 -0.174 30 20 DBED N#CCN1CCO[C@]2(CCN(C(=O)c3cc4n(n3)CCO4)C2)C1 972413530 LINBOQHWGJRFLO-OAHLLOKOSA-N 317.349 -0.284 30 20 DBED C[C@H]1C[C@@H](NCc2nnn(C)n2)CN1C(=O)c1cc(C#N)c[nH]1 988499397 GNQHALMRPSWEDE-GXSJLCMTSA-N 314.353 -0.197 30 20 DBED CN(C[C@@H]1CCCCN1C(=O)C(N)=O)C(=O)c1cc(C#N)c[nH]1 990584728 ZSWSDRXEBFARGW-NSHDSACASA-N 317.349 -0.175 30 20 DBED Cc1nonc1CC(=O)N1CC(NC(=O)c2ccc(C#N)[nH]2)C1 990888293 SJTDVOVJZQLYIZ-UHFFFAOYSA-N 314.305 -0.239 30 20 DBED Cn1nccc1CC(=O)NC1CN(C(=O)c2cc(C#N)c[nH]2)C1 991060225 GSPFHOOSMHBBQA-UHFFFAOYSA-N 312.333 -0.197 30 20 DBED O=C(N[C@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1O)c1cnsn1 991307706 MOUSNFJZISKXCT-JQWIXIFHSA-N 320.374 -0.357 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CN(C(=O)Cn3nccn3)C[C@@]2(C)C1 993351731 JYVBNYLIMDLQOZ-ZOWXZIJZSA-N 316.365 -0.255 30 20 DBED C#CCN1CCC(C(=O)NC2CN(C(=O)c3cocn3)C2)CC1 993855274 NNEITUIIWPHVSN-UHFFFAOYSA-N 316.361 -0.040 30 20 DBED NC(=O)N1CCC[C@H](C(=O)NC2CN(C(=O)C#CC3CC3)C2)C1 995437526 GSYHJOVENREIAB-LBPRGKRZSA-N 318.377 -0.483 30 20 DBED COCCn1cc(C(=O)N(C)C2CCN(CC#N)CC2)nn1 1005376879 WHVXCFIRIKDVIF-UHFFFAOYSA-N 306.370 -0.016 30 20 DBED CC#CCN1CCC[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C1 1007458582 ZOPYSTZLDNZNNB-CYBMUJFWSA-N 318.377 -0.849 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C(=O)CCc2cn(C)nn2)CC1 1011345079 DWUKSQGKUXZWCK-NSHDSACASA-N 304.354 -0.422 30 20 DBED O=C(NC1[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]12)c1c[nH]c(=O)cn1 1013672225 MXFYUQHVIUIYES-GHMZBOCLSA-N 312.329 -0.630 30 20 DBED C#CCCN1CC[C@H](NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 1014422758 FKKABHMCESLYHU-STQMWFEESA-N 315.377 -0.024 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCN(CCS(C)(=O)=O)C1 1015721222 FHMOCAQNONZEAP-UPJWGTAASA-N 316.423 -0.187 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](NCc2nnc3n2CCOC3)C1 1018631497 GARMZGRDBAXSKX-QWRGUYRKSA-N 304.354 -0.342 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCCCN(CC(N)=O)C2)nn1 1034431909 MVEJFTFKHPHYEP-LLVKDONJSA-N 306.370 -0.466 30 20 DBED Cc1nn2cccnc2c1C(=O)NC[C@H]1CN(CC#N)CCO1 1035612090 ZNGIETFMCAHZJL-LBPRGKRZSA-N 314.349 -0.008 30 20 DBED C[C@H]1CN(C(=O)CCN2C(=O)CCC2=O)CC[C@H]1NCC#N 1036107349 HKQYGYTXQFKTNZ-NWDGAFQWSA-N 306.366 -0.124 30 20 DBED CCn1ccnc1C(=O)NC[C@]1(O)CCN(C(=O)[C@H](C)C#N)C1 1039582724 UKGGLYQKVKECDN-IAQYHMDHSA-N 319.365 -0.244 30 20 DBED CCCN(C)CC(=O)N1CC[C@@](O)(CNC(=O)[C@H](C)C#N)C1 1040759050 DNZIIFXWZVXXPQ-IUODEOHRSA-N 310.398 -0.433 30 20 DBED C[C@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)CCc2cnc[nH]2)C1 1040765577 JJIJYQQBLVMTRR-IAQYHMDHSA-N 319.365 -0.418 30 20 DBED C[C@@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)Cc2cnc[nH]2)C1 1040767021 VRPKLQZMGZOSSS-IINYFYTJSA-N 305.338 -0.809 30 20 DBED Cc1cc(C#N)nc(N2C[C@@H](O)[C@H](NC(=O)c3ccc[nH]3)C2)n1 1040932231 OTXHAGFBAYVLAA-CHWSQXEVSA-N 312.333 -0.036 30 20 DBED C=CCCCC(=O)N1CC[C@@](O)(CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 1040934797 UKKMZXUHHCQQCV-BFQNTYOBSA-N 323.393 -0.456 30 20 DBED N#Cc1nccnc1N1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCOC2)C1 1040962356 XTNMEVVIPBENJT-CYZMBNFOSA-N 317.349 -0.559 30 20 DBED N#Cc1cccnc1N1C[C@@H](O)[C@H](NC(=O)C2=CCOCC2)C1 1040997277 FQGNMKDLJDOCON-ZIAGYGMSSA-N 314.345 -0.034 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)Cc2cnn(C)c2)C1 1041952195 MUEDAQYYCHTNSR-UHFFFAOYSA-N 306.366 -0.382 30 20 DBED C=CCN1CC[C@@H]2CCN(C(=O)CN3CCNC(=O)C3)C[C@@H]21 1042182982 HPRVTAYIBBGWIE-KGLIPLIRSA-N 306.410 -0.473 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(O)CN(C(=O)[C@@H](C)OCC)C1 1042806368 GBCNHLSTCJUKNH-BXUZGUMPSA-N 314.382 -0.572 30 20 DBED Cn1ccc(C(=O)N2CC(O)(CNC(=O)C#CC3CC3)C2)n1 1042963852 XDDNWWXOQXUSAT-UHFFFAOYSA-N 302.334 -0.863 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)c2[nH]cnc2C)C1 1043043189 DJCMKODLCJZMIU-LLVKDONJSA-N 320.349 -0.940 30 20 DBED C[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1Nc1cnc(C#N)cn1 1043449261 ZIKGXQONYXZQCZ-PSASIEDQSA-N 313.325 -0.556 30 20 DBED C#CCN[C@@H]1CCN(C(=O)CN2C(=O)NC(=O)C2(C)C)[C@@H](C)C1 1044809152 OFVHTBOKBKMBDS-NWDGAFQWSA-N 320.393 -0.081 30 20 DBED C#CCCN1[C@H]2CC[C@H]1CN(C(=O)CN1CCOCC1=O)CC2 1045796194 LXIXVCSUONYYIQ-GJZGRUSLSA-N 319.405 -0.066 30 20 DBED N#CCN1CC[C@H](N2CCN(C(=O)[C@H]3CCNC(=O)C3)CC2)C1 1046020398 SCGAMTOKRQKUQD-KBPBESRZSA-N 319.409 -0.745 30 20 DBED C#CCCN1CC[C@@H](N2CCN(C(=O)c3nnn(C)n3)CC2)C1 1046055752 QGHMTONTMVIDRS-CYBMUJFWSA-N 317.397 -0.935 30 20 DBED CC(C)(C)C#CC(=O)N1CC(O)(CNC(=O)Cc2nc[nH]n2)C1 1046905680 VKZPDTMKHMZSLX-UHFFFAOYSA-N 319.365 -0.914 30 20 DBED CN(C(=O)Cn1cc(C2CC2)nn1)[C@H]1CN(CC#N)C[C@@H]1O 1047406542 GGVQPZUPMZPVSS-STQMWFEESA-N 304.354 -0.817 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)N(C)[C@H]1CN(C(C)=O)C[C@@H]1O 1048845064 YTIWTSPNTKNQBK-RDBSUJKOSA-N 311.382 -0.493 30 20 DBED C=C(C)CCN1C[C@H]2CN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C[C@H]2C1 1049083985 BOEZAVVZKMWOJG-XQQFMLRXSA-N 320.393 -0.059 30 20 DBED Cc1nocc1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)C#N)C1 1049393840 FYLNPFBKLQCLDC-ZHAHWJHGSA-N 306.322 -0.214 30 20 DBED N#Cc1cncc(N2CC[C@@H]3CN(C(=O)C(N)=O)C[C@@H]3C2)n1 1049623685 ORDAZGKLDLRCIV-ZJUUUORDSA-N 300.322 -0.882 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCN([C@@H]3CCC(=O)NC3=O)CC2)C1 1050463088 INVCHNJRHWKTJH-VXGBXAGGSA-N 318.377 -0.124 30 20 DBED C[C@@H]1[C@@H](NC(=O)Cc2nc[nH]n2)CCN1c1cncc(C#N)n1 1050597356 JLSHLIGDBMKIOD-KOLCDFICSA-N 312.337 -0.208 30 20 DBED CC#CCN1CCOC[C@@H]1CNC(=O)[C@H]1C[C@@H](C)CC(=O)N1 1050922753 YMDKNDQTLSKQTH-HZSPNIEDSA-N 307.394 -0.259 30 20 DBED C=CCCN1CCOC[C@H]1CNC(=O)c1cnc(O)n(C)c1=O 1051063112 RQQIQRDZSTVECP-LLVKDONJSA-N 322.365 -0.507 30 20 DBED Cn1cc(C(=O)N2CC[C@H](N3CCN(CC#N)CC3)C2)nn1 1052026694 SEIBIFOAVVYLEN-LBPRGKRZSA-N 303.370 -0.829 30 20 DBED C=CCOCC(=O)N1C[C@@H](C)[C@H](CNC(=O)c2nc[nH]n2)C1 1052221491 RAKOVUBMDPPLPH-GHMZBOCLSA-N 307.354 -0.168 30 20 DBED C=C(Cl)CN1CC2(C1)CN(C(=O)[C@@H]1CCNC1=O)CCO2 1053373913 UBRVRZPFWBTCRU-LLVKDONJSA-N 313.785 -0.212 30 20 DBED C#CCN1CC2(C1)CN(C(=O)[C@H]1CCC[C@H](C(N)=O)C1)CCO2 1053452961 KEBAXQFJIQYOPS-KBPBESRZSA-N 319.405 -0.176 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2COC3(C2)CN(CCCO)C3)[nH]1 1053773012 BQBQGSRUDGORGO-GFCCVEGCSA-N 304.350 -0.158 30 20 DBED C=CCN[C@H]1CN(C(=O)Cn2ccc(=O)n(C)c2=O)C[C@@H]1C 1054710385 NKYNXJGKJBTBEH-RYUDHWBXSA-N 306.366 -0.831 30 20 DBED C=CCO[C@H](C)C(=O)N1CCC[C@](CO)(NC(=O)COC)C1 1055706648 IXISCOPGXGCSFT-DOMZBBRYSA-N 314.382 -0.306 30 20 DBED N#Cc1ccc(N2CCN(C(=O)[C@H]3CCCC(=O)N3)CC2)nn1 1055931192 PENXPXFEOUEIAK-GFCCVEGCSA-N 314.349 -0.334 30 20 DBED Cc1nc(N2CCN(C(=O)[C@@H]3CNC(=O)N3)CC2)ccc1C#N 1055998654 LTCDMZOGLCUQKE-LBPRGKRZSA-N 314.349 -0.408 30 20 DBED C[C@H](C#N)C(=O)N[C@@]1(CO)CCCN(C(=O)c2cnsn2)C1 1056093578 LAYOYPAMEMNDMS-RNCFNFMXSA-N 323.378 -0.219 30 20 DBED C[C@H](C#N)C(=O)N[C@]1(CO)CCCN(C(=O)Cc2cnc[nH]2)C1 1056097847 WIXCCWDKFANHTK-IAQYHMDHSA-N 319.365 -0.418 30 20 DBED C=C[C@](C)(O)CC(=O)N(CCO)CCNC(=O)[C@H](C)OCC 1057449485 DAGJOTMJKSODRQ-WFASDCNBSA-N 316.398 -0.324 30 20 DBED N#Cc1nc(=N[C@H]2CCCN(C(=O)Cn3cncn3)C2)cc[nH]1 1057645742 OVNRZZHBZQMPOG-NSHDSACASA-N 312.337 -0.535 30 20 DBED N#Cc1nccnc1N1CCC(NC(=O)[C@@H]2CCNC2=O)CC1 1057925307 XNJANGAMVKGBOU-LLVKDONJSA-N 314.349 -0.431 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(CCO)CCNC(=O)CCC 1057961397 WEXMHNGJKLTRRV-AWEZNQCLSA-N 309.410 -0.179 30 20 DBED C=C(C)CCC(=O)NCCN(CCO)C(=O)[C@@H](C)CC(N)=O 1058292102 RMHYPEPQVRQWAH-LBPRGKRZSA-N 313.398 -0.209 30 20 DBED C=CCO[C@H](C)C(=O)NCCN(CCO)C(=O)c1ncccn1 1058522867 ZKTJEDKELBCMQA-GFCCVEGCSA-N 322.365 -0.382 30 20 DBED CC1CCN(CC(=O)N(CCO)CCNC(=O)[C@@H](C)C#N)CC1 1058540450 FOZIYXWLKJYXHZ-AWEZNQCLSA-N 324.425 -0.185 30 20 DBED Cc1cc(C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N)nn1C 1058652615 BEZNVTVUSCXJLQ-JTQLQIEISA-N 307.354 -0.561 30 20 DBED CCc1cc(C(=O)NCCN(CCO)C(=O)[C@H](C)C#N)no1 1058655105 QLRTWHMKLMVSLL-SNVBAGLBSA-N 308.338 -0.053 30 20 DBED CN1CC[C@@H](C(=O)N2CC[C@H](Nc3cncc(C#N)n3)C2)C1=O 1059031645 GYGHQGNPKYXXFL-CMPLNLGQSA-N 314.349 -0.161 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1C[C@@H](NC(=O)[C@H]2CCC(=O)NC2)C1 1059878912 PIRIVJNMBLORCX-WCFLWFBJSA-N 313.361 -0.040 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](CCNC(=O)CCn2cnnn2)C1 1060285817 DYNDMMRHVRCJNZ-RYUDHWBXSA-N 319.369 -0.422 30 20 DBED N#Cc1cncc(N[C@@H]2CC[C@@H]3CN(C(=O)CC(N)=O)C[C@@H]32)n1 1060522551 AQUHRVQWZCPOGM-ADEWGFFLSA-N 314.349 -0.127 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCOC[C@@H]1CNC(=O)CCOC 1061169116 WAHRTYBZHYKRTL-STQMWFEESA-N 314.382 -0.042 30 20 DBED N#Cc1nccc(N2CC[C@@H](CNC(=O)[C@@H]3COCCO3)C2)n1 1061526077 VNYGPKLDVNLDFY-RYUDHWBXSA-N 317.349 -0.294 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)Cc1ccnn1C 1061535666 IWNXTNPKNPICEX-YPMHNXCESA-N 319.365 -0.534 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1COCCN1C(=O)c1cnnn1C 1061566397 LXKFASUIVWBNRI-GFCCVEGCSA-N 319.365 -0.568 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H]1COCCN1C(=O)c1ccon1 1061584568 JQEMACZNWZERIN-RYUDHWBXSA-N 321.333 -0.330 30 20 DBED N#Cc1cncc(N2CC[C@@H](CNC(=O)[C@H]3COC(=O)N3)C2)n1 1061593337 WZPLYQALQOXONJ-GXSJLCMTSA-N 316.321 -0.601 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)c1cnccn1 1061845479 IENJGOYMTTVSNC-GHMZBOCLSA-N 303.322 -0.407 30 20 DBED C=CCO[C@H](C)C(=O)NC[C@H]1CCCCN1C(=O)CC(N)=O 1062083004 TXHTZPNNUCWROP-VXGBXAGGSA-N 311.382 -0.050 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(NC(=O)CNC(N)=O)CCC1 1062866571 PWVNSSNTUKJNIP-CYBMUJFWSA-N 312.370 -0.863 30 20 DBED C=CCO[C@@H](C)C(=O)NCC1(NC(=O)[C@H]2CNC(=O)N2)CCC1 1063424158 NCMLMINZZQHMKR-WDEREUQCSA-N 324.381 -0.586 30 20 DBED C=CCO[C@H](C)C(=O)NC1(CNC(=O)C2(C(N)=O)CC2)CCC1 1064288287 JSTOVUFZJOWOBY-LLVKDONJSA-N 323.393 -0.002 30 20 DBED C=CCCC(=O)N1CCO[C@@H](CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 1064961764 QHLLQMSIEYGRJY-TUAOUCFPSA-N 309.366 -0.582 30 20 DBED N#Cc1nccnc1NC[C@@H]1CCCN1C(=O)[C@@H]1CCNC1=O 1064984025 NRCDWARETVXSIT-WDEREUQCSA-N 314.349 -0.113 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CN(C(=O)c2cccc(O)n2)CCO1 1065016636 RKYHUVDNCRBPTB-WDEREUQCSA-N 318.333 -0.096 30 20 DBED Cc1nonc1C(=O)N1CCO[C@H](CNC(=O)[C@@H](C)C#N)C1 1065309152 KXPPDVHXBQHERO-WCBMZHEXSA-N 307.310 -0.505 30 20 DBED C[C@@]1(NC(=O)[C@@H]2CCNC2=O)CCN(c2cnc(C#N)cn2)C1 1065312400 NEODTHIIQMIAJM-IAQYHMDHSA-N 314.349 -0.431 30 20 DBED C#CCNC(=O)CC(=O)N(C)CCCN(C)C(=O)c1cocn1 1067000456 GLRDDIGEINQQND-UHFFFAOYSA-N 320.349 -0.265 30 20 DBED N#Cc1ccc(N2C[C@H]3CC[C@H]2CN3C(=O)Cn2nccn2)nn1 1068053556 IJBMFMFFISPJRQ-QWHCGFSZSA-N 324.348 -0.180 30 20 DBED COCC(=O)N1CC[C@]2(C1)CN(c1cnc(C#N)cn1)CCO2 1068075194 SDDLMAMAGMOQBX-OAHLLOKOSA-N 317.349 -0.198 30 20 DBED C[C@H]1C[C@@H](N=c2cc[nH]cc2C#N)CN1C(=O)c1nnn(C)n1 1069177890 HJBVMAODTXBPTJ-GXSJLCMTSA-N 312.337 -0.386 30 20 DBED C#CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H]2CCN(C)C2)C1 1070097486 VSWMAUDERKGVEH-KFWWJZLASA-N 316.409 -0.405 30 20 DBED C#CCN1CC[C@H](c2n[nH]cc2CNC(=O)c2ncn(C)n2)C1 1070408660 YFTZUNHWVKBFGF-NSHDSACASA-N 313.365 -0.109 30 20 DBED C=CCCC(=O)N1CCC[C@@H](NC(=O)CN2C(=O)CNC2=O)C1 1070533383 VHHNCVVYDDBZAO-LLVKDONJSA-N 322.365 -0.388 30 20 DBED CC#CCN1C[C@H]2C[C@@H]3CN(C(=O)c4cn(C)nn4)C[C@@]3(C1)O2 1070796564 JCQFXMDWPWSIQU-XJKCOSOUSA-N 315.377 -0.246 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1C 1072049151 RADCRBSJNBLXME-GXTWGEPZSA-N 315.373 -0.498 30 20 DBED C=CCCOCC(=O)N[C@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1C 1072160703 GRHUDODOGQGHGZ-RYUDHWBXSA-N 322.369 -0.771 30 20 DBED CNC(=O)NCC(=O)N1C[C@@H](C)[C@@H](NC(=O)C#CC(C)C)C1 1072267549 COBBFEDMAJWBFY-NEPJUHHUSA-N 308.382 -0.462 30 20 DBED C=CCCOCC(=O)N1C[C@H](C)[C@H](NC(=O)Cn2cncn2)C1 1072337448 SLCKSRHGLQQTGE-QWHCGFSZSA-N 321.381 -0.166 30 20 DBED C=CCN1CCO[C@H]2CCN(C(=O)CS(C)(=O)=O)C[C@H]21 1074176813 APJSINQRFHXZJY-NEPJUHHUSA-N 302.396 -0.481 30 20 DBED CC#CCN1CCO[C@H]2CCN(C(=O)CN3CCOCC3)C[C@H]21 1074215371 HEKIWTWBVFXLAZ-CVEARBPZSA-N 321.421 -0.356 30 20 DBED CC#CCN1CCO[C@H]2CCN(C(=O)c3cnn(C)c3N)C[C@@H]21 1074223343 XNQRAIZGCMTWFF-KBPBESRZSA-N 317.393 -0.059 30 20 DBED CCN(CC)CC(=O)N1CCC(O)(CNC(=O)[C@@H](C)C#N)CC1 1074596422 TWFRIBQXUIKQEA-ZDUSSCGKSA-N 324.425 -0.042 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)c1cnn(C)c1 1075565932 GFNLTTXNXWPVHL-NSHDSACASA-N 319.365 -0.816 30 20 DBED C[C@@H](CCNC(=O)c1nnc(O)nc1O)NC(=O)[C@H](C)C#N 1077578296 WBQFIAIUGPXHFX-RQJHMYQMSA-N 308.298 -0.933 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2Cc3cc(F)ccc3O2)C1 1077767535 GJWLDPKIMLUUKS-UMVBOHGHSA-N 304.321 -0.076 30 20 DBED CCN(C(=O)CSCC#N)C1CN(C(=O)c2nnn(C)n2)C1 1079342244 GBNKHEMERVLIKO-UHFFFAOYSA-N 323.382 -0.860 30 20 DBED C=CCCC(=O)N(CC)C1CN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 1079473942 GJRWQASXWGWZHX-NSHDSACASA-N 322.365 -0.390 30 20 DBED C#CCOCCC(=O)N(CC)C1CN(C(=O)[C@@H](C)CC(N)=O)C1 1079771193 URPCBRPYXABIGY-LBPRGKRZSA-N 323.393 -0.403 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CO)(NC(=O)CSCC#N)CC1 1080733804 LGUHMLAXQKNPPJ-LLVKDONJSA-N 324.406 -0.127 30 20 DBED CCOCC(=O)NC[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1O 1081220514 IWECTGMYQWGOJV-DGCLKSJQSA-N 320.349 -0.528 30 20 DBED Cc1nc[nH]c1C(=O)NC[C@@H]1CN(C(=O)C#CC(C)C)C[C@@H]1O 1081591669 BNBFODXNORENKP-OLZOCXBDSA-N 318.377 -0.073 30 20 DBED C=CC(C)(C)C(=O)NC[C@@H]1CN(C(=O)CC(=O)NC)C[C@H]1O 1081640665 PIAYDAJTKMAYDM-GHMZBOCLSA-N 311.382 -0.730 30 20 DBED C=CC(C)(C)C(=O)NC[C@H]1CN(C(=O)Cc2nc[nH]n2)C[C@H]1O 1081642269 DNSFJYYSEKUPCP-WDEREUQCSA-N 321.381 -0.505 30 20 DBED C=CCOCC(=O)N1C[C@H](CNC(=O)c2ncccn2)[C@@H](O)C1 1081686931 BXKHVFBUQWPJDX-RYUDHWBXSA-N 320.349 -0.772 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H]1CCCCN1C(=O)[C@H](C)OC 1081920032 NGTKFPSKYRSNGB-STQMWFEESA-N 323.393 -0.342 30 20 DBED N#CCN1CC[C@@H]2CN(C(=O)C[C@H]3CC(=O)NC3=O)C[C@@H]2C1 1088223176 PYSNDCULUGVXSI-UTUOFQBUSA-N 304.350 -0.657 30 20 DBED C[C@@H]1CC[C@@H](NC(=O)CNC(N)=O)CN1c1cnc(C#N)cn1 1089108928 CXOYHLDPAOLWAV-NXEZZACHSA-N 317.353 -0.510 30 20 DBED N#CCN1CC[C@H](NC(=O)c2cccc(C(N)=O)c2)[C@H](O)C1 1090365222 OKRSVVZFNKYLES-QWHCGFSZSA-N 302.334 -0.526 30 20 DBED C=CCN1CC[C@H](NC(=O)CC2CS(=O)(=O)C2)[C@H](O)C1 1090373933 KHJYDDMYVHGCMW-NWDGAFQWSA-N 302.396 -0.842 30 20 DBED CC(C)[C@@H](O)C(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1O 1090407779 CHVIXPVPNFKSKC-MGPQQGTHSA-N 304.350 -0.364 30 20 DBED C=CCN1CC[C@H](NC(=O)c2ccnc3[nH]nnc23)[C@@H](O)C1 1090419020 CDAICEURXUVYSD-QWRGUYRKSA-N 302.338 -0.296 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(c2ncc(F)cn2)C[C@H]1O 1090445695 OPDMNVJBGHCGKG-VXGBXAGGSA-N 310.329 -0.126 30 20 DBED CCCN(C)CC(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1O 1090464665 NIBBRTZLATZRTI-VXGBXAGGSA-N 318.381 -0.644 30 20 DBED CCOCC(=O)N[C@@H]1CCN(c2cncc(C#N)n2)C[C@H]1O 1092129236 OXHKVHUXYZTLNL-VXGBXAGGSA-N 305.338 -0.559 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CN(CC(=O)NC)C[C@H]1C 1092689323 IPKHTRVUIGWSCF-KFWWJZLASA-N 320.437 -0.486 30 20 DBED CC[C@@H](NC(C)=O)C(=O)N1CCN(c2cncc(C#N)n2)CC1 1093196702 BQRBQXUKASATKR-CYBMUJFWSA-N 316.365 -0.088 30 20 DBED N#Cc1nccc(N2C[C@H]3[C@H](NC(=O)CCc4nc[nH]n4)[C@H]3C2)n1 1093240235 SOPMGWKCILGGNF-RTUWITSCSA-N 324.348 -0.350 30 20 DBED N#Cc1cnccc1N1C[C@@H]2C(NC(=O)CCNC(N)=O)[C@H]2C1 1093267824 MIPURDHKBUJZLD-QWRGUYRKSA-N 314.349 -0.438 30 20 DBED CCc1nc(C#N)cc(NCCNC(=O)[C@H](C)NC(C)=O)n1 1093464724 FWXFONWWTSZSPJ-VIFPVBQESA-N 304.354 -0.037 30 20 DBED N#CCN1CC(OC2CCN(C(=O)[C@H]3CC[C@H]3C(N)=O)CC2)C1 1093558117 ZZNSRYURSCBERZ-KGLIPLIRSA-N 320.393 -0.287 30 20 DBED Cc1cc(C#N)nc(NCCNC(=O)c2nc3ncccn3n2)n1 1093815355 YMLPDWZIYIMMSL-UHFFFAOYSA-N 323.320 -0.064 30 20 DBED CCc1nc(C#N)cc(NCCCNC(=O)CNC(C)=O)n1 1094283252 JRKOOXFOMZPFMF-UHFFFAOYSA-N 304.354 -0.035 30 20 DBED N#Cc1cncc(NCCCNC(=O)C2CC(=O)NC(=O)C2)n1 1094495863 RITVLYNRKMNURB-UHFFFAOYSA-N 316.321 -0.681 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)c3ccc(O)nc3)CC2=O)C1 1094813594 NLULYDNTIPJSDY-LBPRGKRZSA-N 314.345 -0.565 30 20 DBED CCNC(=O)CC(=O)N[C@H]1CCCN(c2ccnc(C#N)n2)C1 1096161115 OQXQDPNPGOOFNG-NSHDSACASA-N 316.365 -0.041 30 20 DBED CS(=O)(=O)CC(=O)N[C@H]1C[C@H](Nc2cncc(C#N)n2)C1 1096995416 ACZIPBIXGNUFKB-KYZUINATSA-N 309.351 -0.548 30 20 DBED CS(=O)(=O)CC(=O)N[C@H]1C[C@@H](Nc2cnc(C#N)cn2)C1 1097153380 KRCCXDKRZRWMPO-DTORHVGOSA-N 309.351 -0.548 30 20 DBED N#Cc1cccnc1N1CCC[C@H](CNC(=O)CNC(N)=O)C1 1097286413 LLTMKSFUZODLOJ-LLVKDONJSA-N 316.365 -0.046 30 20 DBED C[C@@H]1CCN(C(=O)C(=O)NC[C@@H](C)N=c2cc[nH]c(C#N)n2)C1 1098039380 JDNWTTFYFSQPIB-GHMZBOCLSA-N 316.365 -0.445 30 20 DBED CC#CCN(CCO)C1CCN(C(=O)[C@@H]2CC[C@H]2C(N)=O)CC1 1098447180 BXVZDGLNXAVXES-HUUCEWRRSA-N 321.421 -0.194 30 20 DBED C=CCNCc1cn([C@@H]2CCN(C(=O)Cn3cnnn3)C2)nn1 1098608632 ZWMPRTKEPAPHHW-GFCCVEGCSA-N 317.357 -0.986 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H]2CC[C@H]1[C@@H]1CN(CCO)C[C@@H]21 1099468235 LCYVMXDNSWMQLA-BARDWOONSA-N 319.405 -0.713 30 20 DBED CCc1cc(C(=O)N[C@@H]2CCN(CC#CCOC)C[C@@H]2O)n[nH]1 1099675831 RJRNRABELPRTCW-HIFRSBDPSA-N 320.393 -0.213 30 20 DBED C=C(Cl)CN1CC[C@@H](NC(=O)CNC(=O)C2CC2)[C@H](O)C1 1099704069 FQVWNNMMRLTNEA-VXGBXAGGSA-N 315.801 -0.184 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)C(F)=C(C)C)[C@@H](O)C1 1099780698 LNBKTUAOPNRNJE-NEPJUHHUSA-N 311.357 -0.449 30 20 DBED C=C(C)CCC(=O)N[C@@H]1CCN(CCN2CCNC2=O)C[C@@H]1O 1099858459 MIGVSEQBPORXFZ-KGLIPLIRSA-N 324.425 -0.081 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1CCN(Cc2nc(=O)n(C)[nH]2)C[C@H]1O 1099944310 LTWAQAWNBMTFNB-GHMZBOCLSA-N 323.397 -0.628 30 20 DBED CC#CCN1CC[C@@H](NC(=O)C(=O)Nc2cc(C)on2)[C@H](O)C1 1100110259 SKWGIKKVXFJKLI-VXGBXAGGSA-N 320.349 -0.504 30 20 DBED CCN(CCNC(=O)CN(C)C(C)=O)c1cnc(C#N)cn1 1100450132 MLXGMSVJUXNPNB-UHFFFAOYSA-N 304.354 -0.231 30 20 DBED N#CCNC(=O)CNC1CC(CNC(=O)C[C@@H]2CCCOC2)C1 1100992618 CTIVEHJFGDKXBC-HSBZDZAISA-N 322.409 -0.073 30 20 DBED C[C@@H](CC(N)=O)C(=O)NC[C@@H]1CCN(c2ccnc(C#N)n2)C1 1101036771 SPWFSYOTNAWJDG-QWRGUYRKSA-N 316.365 -0.198 30 20 DBED Cc1[nH]nc(C(=O)N(C)CCN=c2cc[nH]c(C#N)n2)c1O 1101555523 VFHUNBXTVSFBHH-UHFFFAOYSA-N 301.310 -0.309 30 20 DBED CC(=O)NCC(=O)N1CC[C@@H](CN(C)c2cncc(C#N)n2)C1 1102424863 BUJIKICTSKIZFW-LBPRGKRZSA-N 316.365 -0.231 30 20 DBED CN(C(=O)CNC(N)=O)[C@H]1CCN(c2ccc(C#N)cn2)C1 1102668143 FSOIGFKPMYFLHP-NSHDSACASA-N 302.338 -0.341 30 20 DBED C#CCNC(=O)CC(=O)N(C)[C@H]1CCN(c2ncccn2)C1 1102694109 VRWYIZKJMDZVCI-LBPRGKRZSA-N 301.350 -0.347 30 20 DBED CC[C@H](CNC(=O)[C@H]1CNC(=O)N1)Nc1ccc(C#N)nn1 1103277889 QBBRNKHGRDCMBL-PSASIEDQSA-N 303.326 -0.664 30 20 DBED C#CCOCCC(=O)NC[C@@H](C)CNc1nccn2nnnc12 1104089979 SYZCCGKDERWMSS-LLVKDONJSA-N 317.353 -0.277 30 20 DBED C#CCNC(=O)CC(=O)N1CC(n2cc(CNC(C)C)nn2)C1 1105219885 WFVJHGBRZCAYOH-UHFFFAOYSA-N 318.381 -0.701 30 20 DBED Cc1nc(N(C)CCN(C)C(=O)c2nnn(C)n2)ccc1C#N 1105535822 YOGBNTLOKNKJGD-UHFFFAOYSA-N 314.353 -0.006 30 20 DBED N#Cc1nccnc1NC[C@@H](O)CNC(=O)COCC1CC1 1105719035 WNJVWYYVXJGLMH-NSHDSACASA-N 305.338 -0.336 30 20 DBED N#Cc1cnc(NC[C@H](O)CNC(=O)c2ncccc2O)cn1 1105801665 BOKRDXVXRIOKIP-JTQLQIEISA-N 314.305 -0.348 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](O)CNC(=O)c2csnn2)n1 1106054501 OIYCYFAKHZBJQG-VIFPVBQESA-N 319.350 -0.289 30 20 DBED N#Cc1nccnc1NC[C@@H](O)CNC(=O)CC1=CCOCC1 1106078785 MRYRZEYSRNPUPE-LBPRGKRZSA-N 317.349 -0.026 30 20 DBED C#CCOCCC(=O)N1C[C@@H](C)[C@H](CN[C@H]2CCCNC2=O)C1 1106115459 XFQIASBGQVLFOT-KFWWJZLASA-N 321.421 -0.011 30 20 DBED Cc1cc(=NC[C@H](O)CNC(=O)Cc2cnc[nH]2)c(C#N)c[nH]1 1106129182 DFWFTHXMQQGQGS-ZDUSSCGKSA-N 314.349 -0.462 30 20 DBED CN(C)C(=O)CC(=O)NC[C@H](O)CNc1ccc(C#N)cn1 1106133928 PHOJVDUSXZFQRQ-LLVKDONJSA-N 305.338 -0.679 30 20 DBED CCC(=O)N[C@H](C)C(=O)N(CC)CCN=c1cc[nH]c(C#N)n1 1106979815 CZQHCUTWZQFPEJ-LLVKDONJSA-N 318.381 -0.055 30 20 DBED CNC(=O)C1(C(=O)N[C@@H](C)CN=c2cc[nH]c(C#N)n2)CCC1 1108461828 NDFUEEFLKFZZOH-JTQLQIEISA-N 316.365 -0.397 30 20 DBED C=CCNC(=O)CN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC(N)=O)C2 1108648534 MBJPKWQDLVAONA-SRVKXCTJSA-N 308.382 -0.867 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN1CCCC1=O 1108910468 PXTFMTBZPOCRAM-ILXRZTDVSA-N 319.405 -0.020 30 20 DBED C[C@@H](CN(C)c1ncccc1C#N)NC(=O)[C@H](C)NC(N)=O 1108914935 ADNUJYJNDYKETD-UWVGGRQHSA-N 304.354 -0.049 30 20 DBED CN(CCCN=c1cc[nH]c(C#N)n1)C(=O)c1cc(=O)n(C)o1 1109438135 BSUIMPLZQZGAEX-UHFFFAOYSA-N 316.321 -0.364 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H]1CCNC1=O 1109596220 JKUXVNZKPQGNBR-MQYQWHSLSA-N 305.378 -0.506 30 20 DBED N#Cc1ccc(NC[C@@H](NC(=O)C(N)=O)C2CCCC2)nn1 1110679229 OPIAIIUTUGXFFZ-LLVKDONJSA-N 302.338 -0.080 30 20 DBED CCC(=O)NCC(=O)N[C@@]1(C)CCN(c2cncc(C#N)n2)C1 1110733462 MDZGFHAFBNBAEQ-HNNXBMFYSA-N 316.365 -0.041 30 20 DBED COCCOCC(=O)N(CCO)CCNc1ccc(C#N)nn1 1111436273 ZDUOYFYZMBTGST-UHFFFAOYSA-N 323.353 -0.756 30 20 DBED N#Cc1cnc(NCCN(CCO)C(=O)c2csnn2)cn1 1111532773 MXTPWVVIZOPQGN-UHFFFAOYSA-N 319.350 -0.254 30 20 DBED N#Cc1cnccc1N1CCOC[C@@H]1CNC(=O)CC(N)=O 1111679737 SJNJZPRZQWNJQA-NSHDSACASA-N 303.322 -0.850 30 20 DBED N#Cc1ccc(NC2(CNC(=O)[C@H]3C[C@H]3C(N)=O)CCC2)nn1 1111904039 FPNNQBHFUFTVEX-MNOVXSKESA-N 314.349 -0.080 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCN(c2ncccn2)C[C@@H]1C 1112414882 NMRMXDSYWKVKQW-QWHCGFSZSA-N 315.377 -0.053 30 20 DBED C=CCCOCC(=O)NC[C@H]1CN(c2ncccn2)C[C@H]1O 1112731810 UXCRDVBHRYHRGL-QWHCGFSZSA-N 306.366 -0.017 30 20 DBED COCC#CCN1CCN(C(=O)c2cc(OC)ncn2)CC1 1112857318 FNDOTTQKYWZCHP-UHFFFAOYSA-N 304.350 -0.107 30 20 DBED CN(CC(=O)N1CCN(CC(=O)NCC#N)CC1)CC(C)(C)C 1113353200 SKBYORSHSKLYAA-UHFFFAOYSA-N 323.441 -0.252 30 20 DBED CCNC(=O)CC(=O)NC[C@@H](C)N(C)c1cnc(C#N)cn1 1113567384 QVZIWADVFRMPBH-SNVBAGLBSA-N 304.354 -0.185 30 20 DBED C=C(Br)CN1C[C@H]2C(NC(=O)CNC(N)=O)[C@@H]2C1 1113849225 IQWOPEYNXDTQQQ-HTQZYQBOSA-N 317.187 -0.390 30 20 DBED C[C@@H]1CCN(c2cnc(C#N)cn2)C[C@H]1NC(=O)CC(N)=O 1114007012 BXDYIZRKSCDMIE-MWLCHTKSSA-N 302.338 -0.445 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H]1[C@@H]2CN(Cc3nonc3C)C[C@@H]21 1114271246 RPJKRHQEOPWCND-NMKXLXIOSA-N 304.350 -0.037 30 20 DBED CCc1n[nH]cc1C(=O)NC1[C@H]2CN(CC(=O)NCC#N)C[C@H]12 1114501546 DOMCQZMXQDMKKX-QWRGUYRKSA-N 316.365 -0.728 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)c3cnn[nH]3)[C@H]2C1 1114515526 FVQXYFUEOIZWDM-UXCLJVHYSA-N 304.354 -0.845 30 20 DBED C[C@H](CCCN=c1cc[nH]c(C#N)n1)NC(=O)[C@H](C)CC(N)=O 1115047202 DQHRZIKUENHEIM-GHMZBOCLSA-N 318.381 -0.022 30 20 DBED N#CCNC1(CNC(=O)Cn2cnc(C(N)=O)n2)CCCCC1 1115545178 VQPJENXPSANOQQ-UHFFFAOYSA-N 319.369 -0.691 30 20 DBED C[C@H](CN(C)C(=O)Cn1cnnn1)Nc1ccc(C#N)nc1 1115603775 VSFYUHDRVICUNU-SNVBAGLBSA-N 300.326 -0.101 30 20 DBED C#CCNC(=O)CC(=O)N(C)C[C@@H](C)Nc1cnc(C#N)cn1 1115684477 XLXDZTGPWBIMAZ-LLVKDONJSA-N 314.349 -0.253 30 20 DBED C[C@@](C#N)(NC(=O)COC(=O)[C@@H]1CC[C@H](C(N)=O)O1)C1CC1 1118908127 NZIPNHNWNJMZPP-BFVZDQMLSA-N 309.322 -0.629 30 20 DBED Cc1nonc1C(=O)NC[C@@H](CO)Nc1ncccc1C#N 1121734789 QLLQIRNEFQQAQI-JTQLQIEISA-N 302.294 -0.153 30 20 DBED Cn1ccnc1C(=O)[C@@H](C#N)C(=O)c1cn(C)c(=O)n(C)c1=O 1122631532 GJVKBQCQGNRVFN-QMMMGPOBSA-N 315.289 -0.977 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)c1ccccn1 1124024490 XMGZDRZXRRAWPX-LLVKDONJSA-N 312.333 -0.290 30 20 DBED COC[C@H](C)C(=O)N(C)C[C@H](O)CNc1nccnc1C#N 1124197130 VQLCLQGWHGZIGF-WDEREUQCSA-N 307.354 -0.138 30 20 DBED C#CCO[C@@H](C)C(=O)NCCNCc1nnc(C2CC2)n1C 1127040174 ZZDNSIJWPKGNMT-NSHDSACASA-N 305.382 -0.063 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)[C@H]1CO[C@@H](C)C1 1130505506 XWTQEOJYSNQJJB-QWHCGFSZSA-N 310.398 -0.121 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1coc(OCC)n1 1130848177 QKQJXINAEDMTFS-SNVBAGLBSA-N 308.338 -0.469 30 20 DBED CC#CCN1CCNC(=O)CCN(C(=O)CCN(C)C)CC1 1131381142 IYEZUAXIMWUNPP-UHFFFAOYSA-N 308.426 -0.388 30 20 DBED C=CCOCC(=O)N[C@@H]1CC[C@H](C)N(CC(=O)NC(N)=O)C1 1131946824 NMBPCJODHBXASC-WDEREUQCSA-N 312.370 -0.647 30 20 DBED C[C@@H]1CC[C@H](NC(=O)CC(C)(C)O)CN1CC(=O)NCC#N 1132009608 NOZSDHZXTXGYRO-NEPJUHHUSA-N 310.398 -0.244 30 20 DBED C#CCN1C[C@@H](NC(=O)CCn2ncn(C)c2=O)CC[C@H]1C 1132200950 VOYHEOOPBQQWMU-OLZOCXBDSA-N 305.382 -0.426 30 20 DBED C[C@H]1CCN(C(=O)CCNS(C)(=O)=O)C[C@H]1CNCC#N 1132864765 BFHZDZYZQBFPTH-NWDGAFQWSA-N 316.427 -0.477 30 20 DBED C#CCNC(=O)CNCCNC(=O)Cc1ccnc(OC)c1 1133876641 BPIAIRGEHVWEPO-UHFFFAOYSA-N 304.350 -0.912 30 20 DBED COCC#CCN[C@H](C)C[C@H](C)NC(=O)CN1CCOCC1 1134128058 UUSSXJVDXVJAQY-CABCVRRESA-N 311.426 -0.159 30 20 DBED COCC#CCN[C@H](C)C[C@H](C)NC(=O)CN1CCCNC1=O 1134848301 MYQJEGPJSIJUOG-KGLIPLIRSA-N 324.425 -0.076 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)c1ccc(O)nc1 1149747425 LYLSOBPCBDOSEH-UHFFFAOYSA-N 319.365 -0.131 30 20 DBED C#CCNC(=O)CNCCNC(=O)COc1ccc(F)cc1 1150690195 DRDQKCHNLOWUOQ-UHFFFAOYSA-N 307.325 -0.340 30 20 DBED N#CCNC(=O)CNCCNC(=O)COCc1ccccc1 1150747504 RGPPPVASSPPSKI-UHFFFAOYSA-N 304.350 -0.451 30 20 DBED C=CCOCCNCCNC(=O)CCNC(=O)c1cnccn1 1151517193 BOJNMJMBOWCKOK-UHFFFAOYSA-N 321.381 -0.495 30 20 DBED C#CCN1CCC(C(=O)NCCNCCNC(=O)C2CC2)CC1 1152329967 GAZHECMYTFCBSD-UHFFFAOYSA-N 320.437 -0.436 30 20 DBED C=CCO[C@H](C)C(=O)NCCNCC(=O)NCc1cccnc1 1153135616 VWLPKZKQZUSYGD-CYBMUJFWSA-N 320.393 -0.005 30 20 DBED N#CCNC(=O)CNCCCNC(=O)c1cc(C2CC2)on1 1163485554 UTFKLKOVDOZKGC-UHFFFAOYSA-N 305.338 -0.099 30 20 DBED C[C@@H](CCCCNCC#N)NC(=O)[C@@H](C)NS(C)(=O)=O 1175454314 YMEHLALZACCEEL-WDEREUQCSA-N 304.416 -0.288 30 20 DBED C[C@H](CCCCNCC#N)NC(=O)c1cn(C)c(=O)n(C)c1=O 1175538477 OWWAKUXZAGATNM-LLVKDONJSA-N 321.381 -0.514 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)[C@H]2CCOC2)[C@H]1C 1178809271 WIYABPLRIJDPRT-XUXIUFHCSA-N 307.394 -0.260 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)[C@@H](CC)NC(C)=O)[C@H]1C 1179573640 GQIFUEXTEWLFPL-YUTCNCBUSA-N 324.425 -0.218 30 20 DBED CO[C@H](C)C(=O)N1C[C@@H](C)[C@](C)(CNCC(=O)NCC#N)C1 1180764632 GRYIWRUFHJHZJX-LALPHHSUSA-N 310.398 -0.265 30 20 DBED C=CCOCC(=O)N1CC[C@@H](NC[C@H]2CCS(=O)(=O)C2)C1 1181618134 MEISNVPAYAWNMB-CHWSQXEVSA-N 316.423 -0.186 30 20 DBED C=CCOCC(=O)N1CC[C@@H](NCC(=O)Nc2cnccn2)C1 1181644514 QGKMDGCYPTUADO-GFCCVEGCSA-N 319.365 -0.192 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](NCC2CCOCC2)C1 1182145703 VFIZDKBBASDUDV-CQSZACIVSA-N 307.394 -0.257 30 20 DBED C#CCCCC(=O)N1CC[C@@H](NCCNS(C)(=O)=O)C1 1182215605 XMGZLQNNHKHTKW-GFCCVEGCSA-N 301.412 -0.470 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)N1CC[C@@H](NCC(=O)N(C)C)C1 1186103850 NMLNATRDKYEHPT-KGLIPLIRSA-N 324.425 -0.264 30 20 DBED COCC#CCN1C[C@@H]2CCN(C(=O)CN3CCOCC3)[C@@H]2C1 1187553757 QCIBMXOKNDQRSV-JKSUJKDBSA-N 321.421 -0.499 30 20 DBED C#CCOCCC(=O)N1CC[C@H]2CN([C@@H]3CCCNC3=O)C[C@H]21 1187874180 OFTDFESBIXWSGN-RRFJBIMHSA-N 319.405 -0.162 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)[C@H](CC(C)C)C(N)=O)C1 1188467169 PAZQCEZOLCFHCH-ZIAGYGMSSA-N 309.410 -0.026 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2ccn(C)c2)C1 1189642667 SUIAJYLKAVHSEK-CQSZACIVSA-N 302.378 -0.079 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@@H]1CCN(C(=O)c2cn(C)cn2)C1 1189650434 DAVDRSMTXQBFHU-QWHCGFSZSA-N 317.393 -0.296 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](N(C)Cc2ccn(C)n2)C1 1189760419 LRIXTMHEUCYTAY-AWEZNQCLSA-N 317.393 -0.408 30 20 DBED COc1cncc(CN2C[C@@H](O)[C@H](NC(=O)C#CC3CC3)C2)n1 1192826642 ISMJSKMERNDKQP-ZIAGYGMSSA-N 316.361 -0.440 30 20 DBED CN1CC[C@H](C(=O)N2CC[C@H](N(C)CC(=O)NCC#N)C2)C1 1194002799 ZIDOUBYWDTVCME-STQMWFEESA-N 307.398 -0.889 30 20 DBED CC(C)C#CC(=O)N1CCCO[C@H](CNCc2nnn(C)n2)C1 1200461271 GRWWLVQBLQBMBT-CYBMUJFWSA-N 320.397 -0.423 30 20 DBED CC(C)(O)CC(=O)N[C@@H]1C[C@H](NCC(=O)NCC#N)C12CCC2 1202857650 VRPGZSOJUJUJBS-NWDGAFQWSA-N 322.409 -0.196 30 20 DBED CC#CCNC1CCN(C(=O)Cn2nc(C)n(C)c2=O)CC1 1203544795 KJHYOXUXFFTSIK-UHFFFAOYSA-N 305.382 -0.506 30 20 DBED C#CCOCCC(=O)N1CCC[C@H](NCc2nncn2C)C1 1208031732 CTVOOQNKELRHSQ-ZDUSSCGKSA-N 305.382 -0.064 30 20 DBED COCC#CCN1C[C@@H](NC(=O)c2ccc(O)nn2)[C@H](OC)C1 1211813999 PHFSXCQFKLZVSL-CHWSQXEVSA-N 320.349 -0.739 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)Cc2cc[nH]n2)[C@H](OC)C1 1212064301 QWAIOLQSMQREGH-CHWSQXEVSA-N 321.381 -0.930 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2cn(C)nn2)C[C@H]1OC 1212258748 ZMZCDAAWYXAQTJ-IACUBPJLSA-N 321.381 -0.831 30 20 DBED C=CCOCCN1C[C@@H](NC(=O)c2cnnc(O)c2)[C@H](OC)C1 1212439180 XXQGHBZBOSCUAZ-CHWSQXEVSA-N 322.365 -0.186 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@@H](NCC(=O)N(C)CC)[C@H](C)C1 1214601811 DOQDGRJUYUXPDN-HZSPNIEDSA-N 309.410 -0.061 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)CC(=O)N(C)C)C[C@H]1C 1215824793 BHNCKRHAQAMZFU-VXGBXAGGSA-N 310.398 -0.797 30 20 DBED CC(C)C#CC(=O)N1CCO[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1217843842 JXFZDSXNVOLWKW-UONOGXRCSA-N 318.377 -0.803 30 20 DBED CC(C)[C@@H](C)CC(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@@H]1O 1219330718 PGFDEKSATXPPSW-XQQFMLRXSA-N 310.398 -0.530 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CN(Cc2nsc(N(C)C)n2)C[C@@H]1O 1219379637 VUJXOIHEQACFMT-AEJSXWLSSA-N 324.410 -0.575 30 20 DBED CCN(C)C(=O)CN1C[C@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 1219418276 VPDVELOMTMAYQI-OLZOCXBDSA-N 319.365 -0.860 30 20 DBED CCN(CC)C(=O)CN1C[C@H](O)[C@H](NC(=O)C#CC2CC2)C1 1219591616 MRQMLEWGNPIORY-KGLIPLIRSA-N 307.394 -0.571 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2nncn2C)C[C@@H]1O 1221144012 ZVTAFGCVUNESAH-UTUOFQBUSA-N 309.370 -0.933 30 20 DBED CC(C)[C@@H](C(=O)NC1CCN(CC(=O)NCC#N)CC1)N(C)C 1227900577 WCJOBLZBXKVHSL-HNNXBMFYSA-N 323.441 -0.207 30 20 DBED C=C(C)CCN1CCS(=O)(=O)[C@H](CCNC(=O)C(N)=O)C1 1230494508 MKEIJQNHQVYKOB-LLVKDONJSA-N 317.411 -0.957 30 20 DBED C=C(C)[C@@H]1OCC[C@H]1Cn1nnnc1N(C)[C@H]1CCNC1=O 1262426603 COCHUTVKSUHAND-SRVKXCTJSA-N 306.370 -0.021 30 20 DBED N#C[C@@]1(F)CCN(C(=O)C(=O)N2CCC[C@H]2C2OCCO2)C1 1262537858 QISFADNNJNPFIB-HZMBPMFUSA-N 311.313 -0.186 30 20 DBED C=CCN(C(=O)c1c[nH]c(C(N)=O)c1)[C@@H]1CCS(=O)(=O)C1 1319914228 CFWSOQOKDRFLKB-SNVBAGLBSA-N 311.363 -0.071 30 20 DBED C[C@@H](CNC(=O)C(=O)NCCCCC#N)CN1CCN(C)CC1 1321712267 LTMJVOQYAODTQN-AWEZNQCLSA-N 323.441 -0.204 30 20 DBED CN1CC[C@@H](N(C)C(=O)CCN/C(O)=C2/N=CC=CC2=O)C1=O 1324029238 KAQBWGZPARHKDH-YAWLZAOSSA-N 320.349 -0.408 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N[C@H](C)[C@H]2CCCNC2)nn1 1325830323 RNSPYRVFMWTYNS-NEPJUHHUSA-N 320.397 -0.415 30 20 DBED CC1(C)CN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)CC[C@@H]1O 1326241578 SCYMIAQCNJKUGA-XHDPSFHLSA-N 309.366 -0.517 30 20 DBED O=C(N[C@@H]1CCCN(O)C1=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 1327640152 UNQJRENKEKPACA-SECBINFHSA-N 318.289 -0.674 30 20 DBED C=C[C@@H](COC)NS(=O)(=O)CCCN1CCN(C)CC1 1330370557 HGMRKTFUHSWWQJ-ZDUSSCGKSA-N 305.444 -0.256 30 20 DBED C#CCN1CCC[C@H](NC(=O)N2CCC(OCC(N)=O)CC2)C1 1333216877 ZVEAAMDZTNYVIC-ZDUSSCGKSA-N 322.409 -0.240 30 20 DBED Cc1ccc(C#N)cc1NC(=O)C(=O)NCC1(CO)COC1 1334730246 VFGASMKFFZQSSM-UHFFFAOYSA-N 303.318 -0.070 30 20 DBED C#CCOCCn1nnnc1N1C[C@H](C)O[C@H](C(=O)OC)C1 1337457669 XJSJYPPPYAUIDZ-QWRGUYRKSA-N 309.326 -0.910 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N2C[C@H]3C=C[C@H]2C3)CCN1C1CC1 1338171558 FLKYCJSFBSGEFE-FPMFFAJLSA-N 300.362 -0.028 30 20 DBED C#CCN1CCC(OC(=O)C(C)(C)NS(C)(=O)=O)CC1 1345677706 XNRHDABUXUMJQX-UHFFFAOYSA-N 302.396 -0.045 30 20 DBED C#CCOCCN(C)C(=O)C1CCN(S(=O)(=O)NC)CC1 1348360695 OJBWDSXXHKXTGV-UHFFFAOYSA-N 317.411 -0.729 30 20 DBED CCOC(=O)CN(C)C(=O)CCn1cc(C#N)c(O)nc1=O 1361851776 KZJOFOOTLCJWCX-UHFFFAOYSA-N 308.294 -0.768 30 20 DBED COC(=O)[C@H]1CSCCN1C(=O)[C@H](C)n1cnc(C#N)n1 1361897239 KANYVPWKSWGKOH-DTWKUNHWSA-N 309.351 -0.172 30 20 DBED N#Cc1cn(CCC(=O)N[C@@H](CO)CC2CCC2)c(=O)nc1O 1362489073 LPLRNSOOWXCSNP-GFCCVEGCSA-N 320.349 -0.122 30 20 DBED N#Cc1cn(CC(=O)N[C@H](CO)C2CCCC2)c(=O)nc1O 1362797572 KDXGJNSSDYJWDQ-LLVKDONJSA-N 306.322 -0.512 30 20 DBED COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)Cc1noc(C)c1C#N 1363198624 VYZWVWXLVMNXDO-YUMQZZPRSA-N 322.321 -0.420 30 20 DBED C=C(Cl)CNC[C@@H](O)CNC(=O)c1ccc(=O)n(CC)n1 1374654821 BDZOCXMWERFZRN-SNVBAGLBSA-N 314.773 -0.304 30 20 DBED CC(C)c1nnnn1CC(=O)NC[C@H]1CCN1C(=O)[C@H](C)C#N 1378381950 ZQZNLRSWPPECFG-GHMZBOCLSA-N 319.369 -0.327 30 20 DBED Cc1nccn1CC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H](C)C#N)C1 1380144767 TWYFNZLEKBEFNX-NHYWBVRUSA-N 319.365 -0.569 30 20 DBED Cn1cc([C@H](O)CNC(=O)CNc2ccc(C#N)cn2)cn1 1411911571 SRPDOUQBYVSSEQ-GFCCVEGCSA-N 300.322 -0.052 30 20 DBED C[C@H](CN(C)C(=O)c1cnn[nH]1)NC(=O)c1ccc(C#N)[nH]1 1412596875 XVUIIMZBOJALSK-MRVPVSSYSA-N 301.310 -0.105 30 20 DBED Cc1nc(C#N)c(C#N)n1CC(=O)N1CCC(C(N)=O)CC1 1412934637 WLVSZJFISKHQDA-UHFFFAOYSA-N 300.322 -0.341 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@@H](NC(=O)c2cnn[nH]2)C2CC2)c1 1414845039 JXHRTNUPABCNQX-LLVKDONJSA-N 313.321 -0.057 30 20 DBED CCN(CCNC(=O)[C@@H]1CCCS1(=O)=O)C(=O)[C@H](C)C#N 1431640327 ZXKSSDPNJDRERU-MNOVXSKESA-N 315.395 -0.312 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1noc2c1CCCC2 1458034455 KTDOUECRAWQCDG-UWVGGRQHSA-N 320.349 -0.080 30 20 DBED CN(C(=O)CNC[C@@H](O)CNC(=O)c1cc(C#N)c[nH]1)C1CC1 1496960178 HVBNDBHIXSABKH-GFCCVEGCSA-N 319.365 -0.813 30 20 DBED CN(CC(=O)OCCOC1(C#N)CCOCC1)S(C)(=O)=O 1514759704 OXWGJHUYRGVQSI-UHFFFAOYSA-N 320.367 -0.490 30 20 DBED C=C(C)C[C@H](CO)NS(=O)(=O)c1cncc(-c2nn[nH]n2)c1 1573299259 JJQWCHMPIOZWHC-SNVBAGLBSA-N 324.366 -0.133 30 20 DBED C#CCN1CCC(C(=O)N[C@H]2C[C@H](NCc3cnn[nH]3)C2)CC1 1574986263 XTQICHPKZWHNLW-HDJSIYSDSA-N 316.409 -0.113 30 20 DBED C[C@@H](CNC(=O)CCOCc1cnn[nH]1)CNC(=O)[C@H](C)C#N 1575589330 TVWKMTOBHKDEDL-WDEREUQCSA-N 322.369 -0.260 30 20 DBED N#Cc1nc(N2CC[C@@H](C3OCCO3)C2)cnc1-c1nn[nH]n1 1581878218 BOANUVBMQLPSIE-MRVPVSSYSA-N 314.309 -0.272 30 20 DBED C#CCCCC(=O)NCCNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 1588340405 ONHQHIMPOIPEQD-UHFFFAOYSA-N 315.337 -0.156 30 20 DBED C#CCCCC(=O)N[C@@H](C)CN=c1cc[nH]c(-c2nn[nH]n2)n1 1588340750 DEHZDODQFCLEBT-JTQLQIEISA-N 314.353 -0.201 30 20 DBED C#CCCN1CCN(c2cnc(-c3nn[nH]n3)c(C#N)n2)CC1 1588347635 VQWNWRIUCFKOTD-UHFFFAOYSA-N 309.337 -0.326 30 20 DBED C=C(C)CNC[C@@H](O)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 1588429199 QIPRTQIUGDHSEJ-SNVBAGLBSA-N 305.342 -0.549 30 20 DBED CC(=O)NCCN(C(=O)Cc1ccc(C#N)nc1)[C@H](C)C(=O)O 1588507911 VLMUPBUNKBBSIK-SNVBAGLBSA-N 318.333 -0.066 30 20 DBED C[C@]1(C(=O)O)CCCN(C(=O)C(=O)N2CCO[C@@H](C#N)C2)C1 1593762765 SNGHRSBVPKBBOP-HZMBPMFUSA-N 309.322 -0.549 30 20 DBED CCn1cc(C#N)c(=O)n(CC2(C(=O)O)CCOCC2)c1=O 1597870123 DGCQSHWBDLKXDO-UHFFFAOYSA-N 307.306 -0.217 30 20 DBED C#C[C@H](CO)NCCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 1602689457 RHQUHOLWDKHJOY-LLVKDONJSA-N 321.362 -0.776 30 20 DBED C=C(C)COCCn1nnnc1N1C[C@H](C)O[C@H](C(=O)O)C1 1602764511 ALJMCDVZKHGLOY-QWRGUYRKSA-N 311.342 -0.056 30 20 DBED N#CCNC(=O)CNC(=O)NCCc1ccccc1C(=O)O 1608188231 QUDCZIWZJRHIIL-UHFFFAOYSA-N 304.306 -0.134 30 20 DBED C=CCn1cc(C(=O)NC[C@H](N[C@H](C)C(=O)NC)C2CC2)nn1 1752511581 GYRYYWXXJFHDBH-PWSUYJOCSA-N 320.397 -0.303 30 20 DBED CCOc1ncccc1C(=O)N(C)CCNCC(=O)NCC#N 1753260727 HULYSIKZWGLUFD-UHFFFAOYSA-N 319.365 -0.218 30 20 DBED N#CCNC(=O)CN1CC(NC(=O)CCc2ccccn2)C1 1753383254 DROZPBTUINXGHC-UHFFFAOYSA-N 301.350 -0.546 30 20 DBED C=CCN1CC[C@H](N[C@H](CC)CNC(=O)c2cnon2)C1=O 1753491367 RXWCMZBSGSGTMX-MNOVXSKESA-N 307.354 -0.046 30 20 DBED C=CCNC(=O)CN[C@H]1CC[C@H](NC(=O)[C@@H](C)CC(N)=O)CC1 1753583796 SKZNBVZDAIJELW-AVGNSLFASA-N 324.425 -0.183 30 20 DBED Cn1[nH]c(CNC/C=C/CNC(=O)c2c[nH]c(C#N)c2)nc1=O 1754114047 UOPHELHXRRMXQH-NSCUHMNNSA-N 315.337 -0.616 30 20 DBED C=C(C)CN1CC[C@@](O)(CNC(=O)[C@H]2CCCS2(=O)=O)C1 1754762356 OBZZADLADLNBMJ-TZMCWYRMSA-N 316.423 -0.307 30 20 DBED COCC#CCN1CC(O)(CNC(=O)c2ccncc2C)C1 1754767465 MRSHSILUGPKWKE-UHFFFAOYSA-N 303.362 -0.184 30 20 DBED C#CCNC(=O)CN[C@H]1CN(C(=O)c2oncc2C)C[C@@H]1C 1755118428 HYEXEITUNKNKFB-RYUDHWBXSA-N 304.350 -0.217 30 20 DBED C=CCNC(=O)CN1CCC(CO)(NC(=O)[C@H](F)CC)CC1 1755180260 XUPHDLUDMZEOGC-GFCCVEGCSA-N 315.389 -0.020 30 20 DBED Cc1nc2ccnn2cc1C(=O)NC1(CCO)CN(CC#N)C1 1755337430 FYVBSEJVCLYWEA-UHFFFAOYSA-N 314.349 -0.272 30 20 DBED C#CCCN1C[C@H](NC(=O)CCCS(N)(=O)=O)C(C)(C)C1 1755413817 KABAWCPMKSDYAL-LBPRGKRZSA-N 315.439 -0.095 30 20 DBED C=CCOCCN1CCCC2(C1)CN(C(=O)Cn1ncnn1)C2 1755456056 IGNWWTRYXCQGIU-UHFFFAOYSA-N 320.397 -0.200 30 20 DBED COCC#CCN[C@@H](CO)CNC(=O)c1cc(C(C)C)n(C)n1 1755627925 MZNFEKBVQLXSIF-CYBMUJFWSA-N 322.409 -0.126 30 20 DBED C#CCNC(=O)CN(C)C[C@H](O)CN(C)C(=O)Cc1ccoc1 1755799807 BFAHGUCCSPROEE-AWEZNQCLSA-N 321.377 -0.677 30 20 DBED C=C(C)CN1CC=C(CNC(=O)C[C@H](NC(C)=O)C(N)=O)CC1 1755894162 NYWVUAGOVOOTGM-AWEZNQCLSA-N 322.409 -0.309 30 20 DBED CC(C)C#CC(=O)N1CCO[C@H]([C@@H](C)NC(=O)CNC(N)=O)C1 1756218515 YDIBBCOWSPROBK-NEPJUHHUSA-N 324.381 -0.954 30 20 DBED C=CCCCC(=O)N[C@H](C)CN(C)C(=O)CN1C(=O)CNC1=O 1756497322 CAKZYFKZVAETOK-LLVKDONJSA-N 324.381 -0.142 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H](O)CN(C)C(=O)/C(C)=C\CC 1756655123 GUJUOGSOKDNBGB-OTAKNEKHSA-N 323.393 -0.582 30 20 DBED C=C(C)CCC(=O)N(C)C[C@@H](O)CNC(=O)CN(C)C(C)=O 1756665629 LZMUJAQVEKGAJT-ZDUSSCGKSA-N 313.398 -0.244 30 20 DBED C=C[C@@H](CC)CC(=O)N1CCCO[C@@H](CNC(=O)C(N)=O)C1 1756842789 HFNJIYPWGTZOQW-RYUDHWBXSA-N 311.382 -0.192 30 20 DBED O=C(O)C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ncc[nH]1 1794837722 JRSAZABGFYDKCI-JGPRNRPPSA-N 316.317 -0.251 30 20 DBED CCOCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC#N 1795417428 MSIBAWOFVOAJQL-JJLQDPRZSA-N 309.366 -0.084 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](N)[C@H](C)CC 1795556126 GJDRGMGASIOQHZ-GGUBGCTKSA-N 307.394 -0.417 30 20 DBED N#Cc1c(F)cccc1S(=O)(=O)N[C@H](CCO)C(=O)O 70393985 GIYZZYTYZPBDNP-SECBINFHSA-N 302.283 -0.189 30 20 DBED C[C@H](NS(=O)(=O)c1ccc(C#N)nc1)[C@@H]1CN(C)CCO1 125788776 YQKGXHDQRHIJJL-GWCFXTLKSA-N 310.379 -0.049 30 20 DBED N#CCCN(CCN1CCOCC1)C(=O)CN1CCOCC1 136754664 ISBGSFYCNLBQAJ-UHFFFAOYSA-N 310.398 -0.607 30 20 DBED C=CCCN1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 157164624 UCQTXCHGTMEWAQ-UHFFFAOYSA-N 302.444 -0.328 30 20 DBED N#CCC1(O)CN(C(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)C1 186832045 NHMSYJHRQOVTDM-MRVPVSSYSA-N 305.256 -0.116 30 20 DBED COC(=O)[C@H]1COCCN1S(=O)(=O)c1ccc(C#N)nc1 223282435 VIPJACAVOVKYMP-LLVKDONJSA-N 311.319 -0.484 30 20 DBED C/N=C(/NCCN1C(=O)CNC1=O)N1CC[C@@]2(CCOC2)C1 261658948 ALVYGUIITSEKDC-CQSZACIVSA-N 309.370 -0.774 30 20 DBED N#C[C@H]1CN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CCO1 264529565 ZNCATHQRFGXERE-VIFPVBQESA-N 312.307 -0.029 30 20 DBED N#Cc1ccc(S(=O)(=O)NCCCN2C(=O)CCC2=O)o1 286910486 OQMSVGJMVNREPK-UHFFFAOYSA-N 311.319 -0.031 30 20 DBED CN(C)C(=O)CO/N=C(\N)C1=C(N)C2(CCCC2)N(C)C1=O 289322272 CMSXXQSCBZFEFO-UHFFFAOYSA-N 309.370 -0.639 30 20 DBED CC(C)N1CC[C@H](N/C(O)=N/[C@H]2CCS(=O)(=O)C2)C1=O 329286192 GUKMFNDFKRBMDB-UWVGGRQHSA-N 303.384 -0.314 30 20 DBED C[C@H](O)CN1CCN(/C(O)=N/C[C@@H]2CN(C)CCN2C)CC1 329448984 OKVCOZRSXCGLLV-UONOGXRCSA-N 313.446 -0.855 30 20 DBED CCS(=O)(=O)NCC/N=C(/O)N[C@@H]1CCN(C(C)=O)C1 330718354 AMJPYAFFADRMMF-SNVBAGLBSA-N 306.388 -0.950 30 20 DBED C[C@H](Cn1cccn1)/N=C(/O)N1CC[C@@H](S(N)(=O)=O)C1 331084877 ZKVJFJGXHGCXCJ-NXEZZACHSA-N 301.372 -0.452 30 20 DBED COCCN(CCC#N)S(=O)(=O)NC[C@@H](O)C(F)F 336942651 KSXMUZMUSRGGEV-MRVPVSSYSA-N 301.315 -0.691 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CCO[C@@H](CC(=O)OC)C1 336951083 UHPRLEVZEOBYDT-NSHDSACASA-N 319.383 -0.269 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CCN(C[C@@H](C)O)C[C@@H]1C 337191080 SFKOWWJFRMUFFX-QWHCGFSZSA-N 318.443 -0.146 30 20 DBED C[C@@H]1CN(S(=O)(=O)N(C)[C@H](C)CC#N)C[C@H](C(N)=O)O1 337888381 FPUTUHWSMHXLMY-OPRDCNLKSA-N 304.372 -0.960 30 20 DBED COC[C@H]1CN(C(=O)C(=O)Nc2ccc(C#N)cn2)CCO1 340062914 GEEGKWQILNFVBL-LLVKDONJSA-N 304.306 -0.234 30 20 DBED N#Cc1ccc(NC(=O)C(=O)N2CCSC[C@@H]2CO)nc1 340317814 XUYZCJPSWQHPSN-JTQLQIEISA-N 306.347 -0.172 30 20 DBED CC(C)OCCS(=O)(=O)NCC(=O)N[C@@H](C#N)C(C)C 343682372 XPIOKOJTUSJQEU-NSHDSACASA-N 305.400 -0.005 30 20 DBED CN(C)c1ccccc1NC(=O)C(=O)NCC(=O)NCC#N 357298195 YCQACFJMGJGXME-UHFFFAOYSA-N 303.322 -0.553 30 20 DBED CNC(=O)[C@@H]1CN(C(=O)CNc2cccc(C#N)c2)CCO1 359612786 TVQPFJUEVZAUGQ-ZDUSSCGKSA-N 302.334 -0.056 30 20 DBED C[C@@H]1Oc2ccccc2N(CC(=O)NCC(=O)NCC#N)C1=O 376200512 ZMSFDWNRAYYTAL-JTQLQIEISA-N 316.317 -0.444 30 20 DBED C=CC[C@H](CO)CNC(=O)NCCNS(=O)(=O)NC(C)C 429139027 WXNWWKNNWWHUOT-NSHDSACASA-N 322.431 -0.697 30 20 DBED CC#CCNC(=O)C(=O)N1C[C@@H](C(=O)NC)Oc2ccccc21 440599074 NZGRYWJGVLDRAY-ZDUSSCGKSA-N 315.329 -0.334 30 20 DBED CCN1C[C@@H](NS(=O)(=O)N(CCC#N)CCOC)CC1=O 451873476 VWFSIJOELZBRJS-NSHDSACASA-N 318.399 -0.696 30 20 DBED CCS(=O)(=O)N(C)CC(=O)NC[C@H]1CCCN(CC#N)C1 489011638 KVALWKRZRJHJIU-GFCCVEGCSA-N 316.427 -0.380 30 20 DBED C=CCN(CCC#N)S(=O)(=O)N1CCS(=O)(=O)CC1 490073833 GUMMDOLVAPKAIE-UHFFFAOYSA-N 307.397 -0.637 30 20 DBED N#Cc1ncn(CC(=O)NCCNC(=O)c2ccccc2F)n1 495061586 SWOJOQMKPLZGGS-UHFFFAOYSA-N 316.296 -0.165 30 20 DBED N#Cc1cncnc1Nc1ccn(CC(=O)N2CCOCC2)n1 581999649 AXPNHCCLBJLQKP-UHFFFAOYSA-N 313.321 0.147 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@H](N)C[C@@H]2C)C1=O 584477707 QRKRPAWYWKMCMG-UWVGGRQHSA-N 308.338 -0.699 30 20 DBED Cc1cc(NC(=O)N2CC(N3CC[C@@H](O)C3)C2)nn1CCC#N 593175921 KOYPUFOOZDUSNI-CYBMUJFWSA-N 318.381 0.388 30 20 DBED CCc1nc(C#N)cc(N2CCN(S(=O)(=O)N(C)C)CC2)n1 596075647 MHKCSEABSYIBPZ-UHFFFAOYSA-N 324.410 -0.161 30 20 DBED CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)Nc1cccc(C#N)n1 596936307 XVGQVFZPXBYMDR-ZJUUUORDSA-N 310.335 -0.113 30 20 DBED C[C@@H](C(=O)N1CCOC[C@@H]1C#N)n1cnc2c(N)ncnc21 597300160 XHBPOXRCJDKBDW-IUCAKERBSA-N 301.310 -0.280 30 20 DBED COC[C@](C)(C#N)NC(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1 599675128 OJGDGTZNSUVZIB-HZMBPMFUSA-N 305.338 -0.182 30 20 DBED Cn1c(C#N)ccc1C(=O)NCCCN1CCC[C@H]1C(N)=O 600234945 ZUDGJTMSDRCGNN-LBPRGKRZSA-N 303.366 -0.034 30 20 DBED C[C@H](CC#N)N(C)C(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C 609143003 CEKIPUJPJRYIFD-SECBINFHSA-N 317.349 -0.050 30 20 DBED C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N1CC[C@](F)(C#N)C1 615645361 NPYLPUIMAWJLAO-FOGDFJRCSA-N 303.359 -0.384 30 20 DBED C=CCN1CC[C@H](N(C)S(=O)(=O)N2CCCOCC2)C1=O 651686644 FXFBPBSICCGACV-LBPRGKRZSA-N 317.411 -0.328 30 20 DBED N#CCNC(=O)COC(=O)CCOc1cccc(C(N)=O)c1 751685556 WEXFCQPKQVZRGP-UHFFFAOYSA-N 305.290 -0.263 30 20 DBED C#C[C@@H](NC(=O)CCC(=O)NCCNC(C)=O)[C@H]1CCCO1 772881563 SDRIQGOBDQXHQS-CHWSQXEVSA-N 309.366 -0.684 30 20 DBED C#CCNC(=O)CN1CCO[C@H](CNC(=O)OC(C)(C)C)C1 775850547 OHUQTQOCKMOCGT-GFCCVEGCSA-N 311.382 -0.039 30 20 DBED CCN(CC)S(=O)(=O)CC(=O)[C@H](C#N)C(=O)NC(C)C 784828472 GHQXJFDUGWMUBS-JTQLQIEISA-N 303.384 -0.109 30 20 DBED CC1(Cn2cc(C(=O)N[C@@H]3CCCN(O)C3=O)nn2)COC1 816759217 IJEROQVEYCNSKA-SECBINFHSA-N 309.326 -0.575 30 20 DBED CN(CCN)C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 818010746 VSZCKPDFHWNYCG-UHFFFAOYSA-N 324.406 -0.078 30 20 DBED C#CCNC(=O)C1CCN(CN2C[C@H](C(=O)O)CC2=O)CC1 833365870 VKXPZXHQBYCVTE-GFCCVEGCSA-N 307.350 -0.662 30 20 DBED N#C[C@H]1CNC[C@@H]1NC(=O)c1cnc2nc(O)nc(O)c2c1 834489237 LAYKFOJJEWVQQT-CBAPKCEASA-N 300.278 -0.723 30 20 DBED C[C@H](N)CNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 834682107 OKMNXMWMFCNZBF-VIFPVBQESA-N 310.379 -0.421 30 20 DBED C=C(C)CONC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 846540407 UBKGLRCJWLTYGF-UHFFFAOYSA-N 307.310 -0.942 30 20 DBED C#CCCN(CCOC)C(=S)NCCNS(C)(=O)=O 853050780 RLNWZFWWVDHCAC-UHFFFAOYSA-N 307.441 -0.618 30 20 DBED C#CCCN(CCOC)C(=O)CN1C(=O)C(=O)N(CC=C)C1=O 856387627 NFQOVVVBYKYKES-UHFFFAOYSA-N 321.333 -0.539 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)CCCN1C(=O)CN(C)C1=O 857575048 HLHVRJMVOMPSHY-JTQLQIEISA-N 309.322 -0.658 30 20 DBED C#CC[C@@H](COC)NC(=O)CNS(=O)(=O)CCCOC 863803872 WMMUMDROEWSOQP-NSHDSACASA-N 306.384 -0.903 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2nc[nH]n2)C1 938861530 QWGJNBUSRLUFGJ-AXFHLTTASA-N 305.338 -0.274 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C2CN(Cc3cnn(C)c3)C2)CC1 941344108 CMLZGTSEOKHXJM-CYBMUJFWSA-N 316.409 -0.092 30 20 DBED C#CCCN1C[C@H]2CCN(C(=O)Cn3ncnn3)CC[C@H]2C1 946592802 YCGIMFJDBJFDOB-OKILXGFUSA-N 302.382 -0.133 30 20 DBED C[C@H](C#N)C(=O)N1CCC(NC(=O)[C@@H]2CN(C)CCO2)CC1 948097223 YEKUKPCDPJTWMY-YPMHNXCESA-N 308.382 -0.416 30 20 DBED CC#CCN1CCN(C(=O)[C@@H](Cn2cccn2)N(C)C)CC1 948750999 JFIFVLWOUBMZJT-OAHLLOKOSA-N 303.410 -0.019 30 20 DBED N#CCN1CCOC2(CCN(C(=O)C3(C(N)=O)CC3)CC2)C1 949454403 JXGHJYHGSMFHCG-UHFFFAOYSA-N 306.366 -0.531 30 20 DBED C#Cc1cncc(C(=O)N2CC[C@H]2CNC(=O)c2cn(C)nn2)c1 949750282 QDXNYSWWPNVYMM-ZDUSSCGKSA-N 324.344 -0.164 30 20 DBED C=CCCN1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)CC1 951777316 HUQFMQZICSMJFC-UHFFFAOYSA-N 306.366 -0.353 30 20 DBED C#Cc1cncc(C(=O)NC[C@H]2CCN2C(=O)c2cnnn2C)c1 952011779 CMIKSDPVTYUTBC-CYBMUJFWSA-N 324.344 -0.164 30 20 DBED COC(=O)[C@H]1C[C@@H]1C(=O)N(C)C1CN(C(=O)C#CC2CC2)C1 953873593 MAXUNCRFGDWGDX-STQMWFEESA-N 304.346 -0.122 30 20 DBED Cn1ncc(C2CC2)c1C(=O)NC[C@H]1CN(CC#N)C[C@@H]1O 958122121 QETAYTLAASKZEH-AAEUAGOBSA-N 303.366 -0.156 30 20 DBED CC#CCN1C[C@H](O)[C@H](CNC(=O)c2cc(CN(C)C)on2)C1 958200233 OSOSTAADISYAGP-DOMZBBRYSA-N 320.393 -0.218 30 20 DBED C#CCCN1C[C@@H](O)[C@H](CNC(=O)c2cc(C(N)=O)co2)C1 958389543 IGCXQOBIOHTPBE-VXGBXAGGSA-N 305.334 -0.576 30 20 DBED C#CCN1CCC(C(=O)NC[C@@H]2CN(CC#C)C[C@H]2O)CC1 958724373 OFGSIDDPURMXOR-HZPDHXFCSA-N 303.406 -0.626 30 20 DBED COCC(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1ccc(C#N)[nH]1 960259362 PGKYUSCXSQLGKK-QWHCGFSZSA-N 318.333 -0.415 30 20 DBED C#CCN1C[C@H]2[C@H](NC(=O)c3nc(OC)cc(OC)n3)[C@H]2C1 960573987 ZVRUDWXIACLYNF-IWIIMEHWSA-N 302.334 -0.213 30 20 DBED CC#CCN1C[C@@H]2C(NC(=O)c3coc(S(N)(=O)=O)c3)[C@H]2C1 960618689 BAFYNKUHERFQFW-QWRGUYRKSA-N 323.374 -0.390 30 20 DBED C=C(C)CN1C[C@H]2C(NC(=O)[C@@H]3COCCN3C(C)=O)[C@@H]2C1 962614149 HBTXFNJRKANICX-MCIONIFRSA-N 307.394 -0.144 30 20 DBED CC(C)n1nccc1C(=O)N[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1O 963999948 MRTQFOOPTXZXEC-WZRBSPASSA-N 319.365 -0.075 30 20 DBED Cc1cc(C(=O)NC[C@@H]2COCCN2C(=O)[C@H](C)C#N)cnn1 964180692 QZFVHOMRHOPMPW-ZWNOBZJWSA-N 317.349 -0.098 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)c1ncn(C)n1 966396378 FTELHXJAZRTJRW-ZYHUDNBSSA-N 301.350 -0.195 30 20 DBED COc1nccc(C(=O)N2CC[C@@]3(CN(CC#N)CCO3)C2)n1 972461452 SOHRFASHBLGQRT-OAHLLOKOSA-N 317.349 -0.074 30 20 DBED C#CCCN1C[C@H](NC(=O)CN2C(=O)CCC2=O)C(C)(C)C1 977566007 DSAACBUCXCFPBZ-LBPRGKRZSA-N 305.378 -0.015 30 20 DBED N#Cc1cc(C(=O)NC[C@H]2[C@@H]3CN([C@@H]4CCNC4=O)C[C@H]23)c[nH]1 978030023 RXLZWZMSQKRKBE-YIYPIFLZSA-N 313.361 -0.318 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H](N(C)C(=O)C(N)=O)C1 984256675 RVTUIILNCIGNBG-AGIUHOORSA-N 323.393 -0.098 30 20 DBED CN1C(=O)CC[C@@H]1C(=O)N1CC(NC(=O)c2cc(C#N)c[nH]2)C1 990706377 BDPLEGRUBOYMDR-GFCCVEGCSA-N 315.333 -0.552 30 20 DBED CC#CCN1CCC[C@@H](NC(=O)CN2CCN(C)C(=O)C2)[C@H]1C 993517918 GVCQTSKOGPSPNS-HUUCEWRRSA-N 320.437 -0.247 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN(C(=O)c2n[nH]cc2C)C1 994753234 XHUMEXLEYGMNKC-ZDUSSCGKSA-N 315.377 -0.244 30 20 DBED C=CCN1CC[C@H](NC2CCN(C(=O)c3nc[nH]n3)CC2)C1=O 997104049 QLOQPLWHUQYXDR-LBPRGKRZSA-N 318.381 -0.214 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC(NC(=O)c2cccnn2)C1 998287525 JKPUSWVMCWGKMM-AWEZNQCLSA-N 313.361 -0.485 30 20 DBED C=CCNC1CC(N(C)C(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 999565462 BWJOPSUTWKKYGR-UHFFFAOYSA-N 316.365 -0.164 30 20 DBED C#CCN1CC[C@@H](n2cc(CNC(=O)c3cnn(C)c3)nn2)C1 999968431 RYTSUDFZLZCZIN-CQSZACIVSA-N 313.365 -0.178 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCO[C@]2(CCN(C(C)=O)C2)C1 1007547556 FMBPAJXCFUQLKZ-RDJZCZTQSA-N 319.405 -0.066 30 20 DBED C#CCCN1CCC[C@@H](NC(=O)[C@H]2COCCN2C(C)=O)C1 1009579435 NXNUMEFHSVRBEI-HUUCEWRRSA-N 307.394 -0.162 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C(=O)[C@H]2CCc3nncn3C2)CC1 1011252796 FIRDXFFWINQIKE-RYUDHWBXSA-N 316.365 -0.329 30 20 DBED O=C1NCC[C@@H]1C(=O)NC1[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]12 1013538891 ASOSAJXXSMBLQH-QJPTWQEYSA-N 301.346 -0.891 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2C(NC(=O)c3ccc(=O)n(C)n3)[C@@H]2C1 1013822957 JFWOXPLFFMLFDV-OPRDCNLKSA-N 315.333 -0.873 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1[C@H]2CC[C@H]1CN(CC(N)=O)C2 1017628496 NIDKPHQTNPCWJA-IHRRRGAJSA-N 304.394 -0.756 30 20 DBED Cc1c(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2O)cnn1C 1023069456 KBWBOHXRPSXCQW-XXILOJSOSA-N 305.338 -0.810 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2ncccc2F)C1 1025218634 ALCHWWIVBCZZTQ-ZWKOPEQDSA-N 320.324 -0.389 30 20 DBED C#CCCN1CC[C@@H](CNC(=O)c2nc(O)nc(O)c2OC)C1 1028926157 KDQYYNMDJBWNIP-JTQLQIEISA-N 320.349 -0.029 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2CC[C@H](C1)N2CC(=O)NC 1029342642 YQMAQVAAUPFYML-ZNMIVQPWSA-N 318.421 -0.495 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCC1CN([C@H]2CCCNC2=O)C1 1031987620 UMPDJOQHUYCIJQ-RDBSUJKOSA-N 307.394 -0.096 30 20 DBED C#CCN1CC[C@@H](N(C)C(=O)[C@H]2CC(=O)N(CCOC)C2)C1 1033128349 KKYFVVRSPQALPL-UONOGXRCSA-N 307.394 -0.353 30 20 DBED CC#CCN1CC[C@@H](N(C)C(=O)Cn2ccc(O)nc2=O)C1 1033238944 BCSBJAYMFAYLRI-GFCCVEGCSA-N 304.350 -0.495 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2CN(C[C@@H](C)OC)CCO2)nn1 1035535240 HEIQIQOTIVSQPG-CHWSQXEVSA-N 323.397 -0.070 30 20 DBED N#CCN1CC2(CCN(C(=O)C[C@@H]3NC(=O)NC3=O)CC2)C1 1035724376 DAYCGAUQMCXYPW-JTQLQIEISA-N 305.338 -0.968 30 20 DBED N#CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1cccc(OCC(N)=O)c1 1037434188 GHJWIAUBYPQLDC-OSAQELSMSA-N 314.345 -0.123 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@@H]2CCN2[C@@H]2CCCNC2=O)c1 1038139869 LVOFOAMJZRERKK-WCQYABFASA-N 301.350 -0.031 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@]1(O)CCN(C(=O)C#CC2CC2)C1 1039579757 KBZFMAGYBAGKKX-SJORKVTESA-N 320.389 -0.194 30 20 DBED C=C(C)CCC(=O)N1CC[C@](O)(CNC(=O)C2(C(N)=O)CC2)C1 1040743669 VCUCGFIPXWHOSL-HNNXBMFYSA-N 323.393 -0.312 30 20 DBED C=CCCCC(=O)N1CC[C@](O)(CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 1040934798 UKKMZXUHHCQQCV-WQGACYEGSA-N 323.393 -0.456 30 20 DBED C#CCC1(C(=O)N2CC(O)(CNC(=O)CNC(C)=O)C2)CCC1 1041208990 JSWYZJYANNIBRE-UHFFFAOYSA-N 321.377 -0.994 30 20 DBED N#CCN1CC[C@@]2(CCN(C(=O)C[C@@H]3CC(=O)NC3=O)C2)C1 1041861827 UNLSWUCGUBUSRF-XHDPSFHLSA-N 304.350 -0.513 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)c2cc(C)ncn2)C1 1042040128 OJVHGWLPHGSAIE-UHFFFAOYSA-N 320.349 -0.709 30 20 DBED C#CCCN1CC[C@@H]2CCN(C(=O)C3CC(=O)NC(=O)C3)C[C@@H]21 1042267078 UQCWCOQVDBKRQK-OCCSQVGLSA-N 317.389 -0.015 30 20 DBED CC(F)(F)C(=O)N1CC(O)(CNC(=O)c2ccc(C#N)[nH]2)C1 1042604968 HIMSGXSSHLQCSY-UHFFFAOYSA-N 312.276 -0.155 30 20 DBED C=C(C)CCC(=O)N1CC(O)(CNC(=O)CC(=O)NCC)C1 1042674096 CYVUYVGCRPUNBZ-UHFFFAOYSA-N 311.382 -0.442 30 20 DBED C=CCCOCC(=O)N1CC(O)(CNC(=O)C2=CCOCC2)C1 1042732907 ZJKVWMWUIRTXQM-UHFFFAOYSA-N 324.377 -0.385 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(O)(CNC(=O)[C@H]2CC2(F)F)C1 1042911818 WYMXAHMELTXJSC-SKDRFNHKSA-N 318.320 -0.342 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)[C@H]2C[C@]23CCOC3)C1 1042937880 MNXKYHSWTCBRDN-CJNGLKHVSA-N 320.389 -0.238 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)c2ccsn2)C1 1043040998 DMVQJZKARAUPRR-SNVBAGLBSA-N 323.374 -0.516 30 20 DBED C=CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)[C@@H]2CC2(F)F)C1 1043569839 DFAGMULWBLBZMN-ZJUUUORDSA-N 318.320 -0.078 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)C2CCN(C)CC2)C1 1043707943 MWJLPOBUNQQVRZ-UHFFFAOYSA-N 321.421 -0.179 30 20 DBED C=CCCCC(=O)N1CC(O)(CNC(=O)Cn2ccnc2)C1 1043712262 VXZCBDSDQPZGGX-UHFFFAOYSA-N 306.366 -0.071 30 20 DBED C=CCCCC(=O)N1CC(O)(CNC(=O)C2(C(=O)NC)CC2)C1 1043845097 IAKZWOAEOJZMAM-UHFFFAOYSA-N 323.393 -0.442 30 20 DBED Cn1cccc1C(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1043865861 VSQSOMKMKWODHW-YPMHNXCESA-N 312.333 -0.334 30 20 DBED N#Cc1cnc(N2C[C@H](O)[C@H](NC(=O)Cc3ccon3)C2)cn1 1043883883 QOGMDTXFFRWTBC-NEPJUHHUSA-N 314.305 -0.755 30 20 DBED Cc1ccc(C(=O)N2CC(O)(CNC(=O)[C@H](C)C#N)C2)cn1 1045540632 KCYAGCZHACPHME-SNVBAGLBSA-N 302.334 -0.147 30 20 DBED Cc1nnccc1C(=O)N1CC(O)(CNC(=O)[C@H](C)C#N)C1 1045546034 GXXFJNZCIHALBE-SECBINFHSA-N 303.322 -0.752 30 20 DBED Cc1cnn(C)c1C(=O)N1CC(O)(CNC(=O)[C@@H](C)C#N)C1 1045564624 JVHZAPPJEPTMOT-VIFPVBQESA-N 305.338 -0.809 30 20 DBED COC[C@H](C)CC(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1045626718 NICIMQPDYDQZFC-GFCCVEGCSA-N 308.378 -0.238 30 20 DBED CC#CCN1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 1046969647 CYDCPHHCVOZNGY-MNOVXSKESA-N 314.336 -0.236 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)[C@@H](CC)NC(C)=O)C1 1047080883 RNWYNYREXXXLCR-GFCCVEGCSA-N 311.382 -0.443 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(C)c2N)C1 1047357262 VQKBICMUCMVCKF-QWRGUYRKSA-N 313.789 -0.128 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3nc(C)nn3C2)C1 1047468317 CGVALNFSDYZWMP-RDBSUJKOSA-N 317.393 -0.714 30 20 DBED C=CCCO[C@@H](C)C(=O)N(C)[C@H]1CN(C(=O)COC)C[C@@H]1O 1048500692 QGHUYISGTOCOMK-AVGNSLFASA-N 314.382 -0.356 30 20 DBED C=CCCC(=O)N(C)[C@H]1CN(C(=O)c2cnn(C)c2N)C[C@@H]1O 1048510358 MAEFISRABRCGEN-RYUDHWBXSA-N 321.381 -0.388 30 20 DBED CC#CCN1C[C@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@H]2C1 1049054199 LTBWFTZMUAUTEK-RFQIPJPRSA-N 305.378 -0.567 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H]2[C@H]1CCN2Cc1nnnn1C 1049382869 PIMUVWRFXORDDM-IJLUTSLNSA-N 303.370 -0.065 30 20 DBED C[C@@H]1[C@@H](NC(=O)c2ncn(C)n2)CCN1c1ccc(C#N)nn1 1050240360 LHNQSTVFUMKQPZ-KOLCDFICSA-N 312.337 -0.126 30 20 DBED CC#CCN1CCOC[C@H]1CNC(=O)C1CCN(C(N)=O)CC1 1051238297 KDYJRGAHUIQUSH-CQSZACIVSA-N 322.409 -0.383 30 20 DBED C#CCN1CCC[C@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)CC1 1052843258 IYFMPJBGDCHVQT-LBPRGKRZSA-N 320.393 -0.079 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)Cc1cncn1C)CCO2 1053507221 HYXMFEJECUXSSW-UHFFFAOYSA-N 302.378 -0.101 30 20 DBED C#CCCN1CC2(CC[C@@H](CNC(=O)[C@H]3CCCNC3=O)O2)C1 1053613346 BLAGYPCINLSRRS-KBPBESRZSA-N 319.405 -0.115 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)CO2)C1 1053924201 NLZPXPVAXBIQQX-FRRDWIJNSA-N 321.377 -0.998 30 20 DBED COCC(=O)N[C@@]1(CO)CCCN(C(=O)c2c[nH]c(C#N)c2)C1 1055704962 DFNXLNSLHNLHDN-HNNXBMFYSA-N 320.349 -0.384 30 20 DBED N#Cc1ccc(N[C@@H]2CCN(C(=O)[C@H]3CCNC(=O)C3)C2)nn1 1056599627 LUGQWNTYLBNKRD-CMPLNLGQSA-N 314.349 -0.113 30 20 DBED CN(c1ccc(C#N)nn1)[C@H]1CCN(C(=O)CS(C)(=O)=O)C1 1056856202 ZKQMFHUNAUNTNI-NSHDSACASA-N 323.378 -0.570 30 20 DBED CN(c1cncc(C#N)n1)[C@H]1CCN(C(=O)C(C)(C)C(N)=O)C1 1056977094 GBVZNVNOLQTYBM-NSHDSACASA-N 316.365 -0.103 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)c1cnnn1C 1057473280 LTVSMDIBOGPSPR-UHFFFAOYSA-N 307.354 -0.831 30 20 DBED Cc1c(C(=O)NCCN(CCO)C(=O)C#CC(C)C)nnn1C 1057517173 KQOXSWLHNADJCI-UHFFFAOYSA-N 321.381 -0.666 30 20 DBED N#CCSCC(=O)NCCN(CCO)C(=O)C#CC1CC1 1057531455 PGGJVHVLAPZLFH-UHFFFAOYSA-N 309.391 -0.406 30 20 DBED CCn1nncc1C(=O)N[C@H]1CCN(c2cncc(C#N)n2)C1 1058354157 YTZYTWIFKIQEKI-JTQLQIEISA-N 312.337 -0.032 30 20 DBED CN1C[C@@H](C(=O)N[C@H]2CCN(c3ccc(C#N)nn3)C2)CC1=O 1058578485 VGFWYRCTCYAEDO-JQWIXIFHSA-N 314.349 -0.479 30 20 DBED O=C(C#CC1CC1)NCCN(CCO)C(=O)[C@@H]1C[C@@]12CCOC2 1058827950 BBDWQRDRBFDOFI-WMLDXEAASA-N 320.389 -0.237 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC[C@@H]1CCN(C(=O)CC(N)=O)C1 1059379238 NMMANOUPOGPVDX-IAQYHMDHSA-N 311.382 -0.456 30 20 DBED CO[C@H](C)C(=O)NC[C@@H]1COCCN1C(=O)c1cc(C#N)c[nH]1 1061368321 ZLRSAAXTQOSNHY-ZYHUDNBSSA-N 320.349 -0.122 30 20 DBED CC(C)C#CC(=O)N1CCOC[C@H]1CNC(=O)[C@@H](C)CC(N)=O 1061748832 CAFLZRNTIOZNIX-QWHCGFSZSA-N 323.393 -0.499 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)CCn2cncn2)CCC1 1062551540 KPJXOFFKYYCAGV-LLVKDONJSA-N 304.354 -0.017 30 20 DBED CC(C)C#CC(=O)NC1(CNC(=O)[C@H](C)NC(N)=O)CCC1 1062848795 VEQWQZMTKWAOLK-NSHDSACASA-N 308.382 -0.142 30 20 DBED N#Cc1ccc(N2CCO[C@H](CNC(=O)[C@H]3CCCO3)C2)nn1 1063605312 HDLFLRSVWSMHNP-CHWSQXEVSA-N 317.349 -0.151 30 20 DBED C=CCOCC(=O)NC1(CNC(=O)[C@H]2CCNC2=O)CCC1 1063907027 JGTCYNILFLKXAX-NSHDSACASA-N 309.366 -0.520 30 20 DBED C#CCO[C@H](C)C(=O)NC1(CNC(=O)c2cnon2)CCC1 1064173458 SIRNANYYWMMFRD-SNVBAGLBSA-N 306.322 -0.123 30 20 DBED N#CCSCC(=O)N1CCO[C@@H](CNC(=O)c2ncc[nH]2)C1 1064881095 NZCJJHZWTHPMBV-JTQLQIEISA-N 323.378 -0.376 30 20 DBED C=CCCC(=O)N1CCO[C@H](CNC(=O)[C@H](C)NC(C)=O)C1 1064953664 KSOFXASFMXJXNO-WCQYABFASA-N 311.382 -0.179 30 20 DBED CC(C)C#CC(=O)N1CCO[C@@H](CNC(=O)Cn2cccn2)C1 1065124494 OAJURMMOHIVOJX-AWEZNQCLSA-N 318.377 -0.114 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CCCN(C(=O)CN2CCOCC2)CC1 1066474820 JTMPFOOZJIHFCU-KGLIPLIRSA-N 322.409 -0.024 30 20 DBED N#Cc1ccc(NCC2CC(NC(=O)[C@H]3CCC(=O)N3)C2)nn1 1067834977 LMRQUOMRUSRECE-QEWOUOOISA-N 314.349 -0.066 30 20 DBED N#Cc1ccc(N2C[C@H]3CC[C@H]2CN3C(=O)c2nc[nH]n2)nn1 1068048079 HABSMEIGXUQYQU-WDEREUQCSA-N 310.321 -0.040 30 20 DBED C=C(C)C(C)(C)C(=O)NC[C@H]1CCC2(CN(C(=O)C(N)=O)C2)O1 1068600111 BFZOWDUGUWSPRT-LLVKDONJSA-N 323.393 -0.050 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CCC2(CN(C(=O)CCN(C)C)C2)O1 1068623093 QVCZLDRGRLFXJB-OLZOCXBDSA-N 322.409 -0.026 30 20 DBED C=CC(C)(C)C(=O)N1CCC(=O)NCCN(CC(=O)NC)CC1 1070985858 WTSFTPIVNDZWAH-UHFFFAOYSA-N 324.425 -0.405 30 20 DBED CC(C)C#CC(=O)N[C@H]1CN(C(=O)CCNC(N)=O)C[C@H]1C 1072067139 RPUCOLHRZBUFKQ-NEPJUHHUSA-N 308.382 -0.333 30 20 DBED C=CCCOCC(=O)N1C[C@H](C)[C@H](NC(=O)c2cnnn2C)C1 1072333506 OEVYAEOFSHFTDM-NWDGAFQWSA-N 321.381 -0.016 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CN(CC(N)=O)CCCO1 1073774910 LQRQYYMFYXIKRJ-UPJWGTAASA-N 311.382 -0.730 30 20 DBED C=C(C)CN1CCO[C@H]2CCN(C(=O)Cn3ncnn3)C[C@H]21 1074241160 CWACDLSCVGFHON-OLZOCXBDSA-N 306.370 -0.449 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)c3cn(C)nc3OC)C[C@@H]21 1074315182 RRQMQTNNVIRCLC-UONOGXRCSA-N 318.377 -0.023 30 20 DBED C=CCN1C[C@@H]2CCN(C(=O)CCc3nnc(O)nc3O)[C@@H]2C1 1075983367 DZSRVOVFESLCIP-CMPLNLGQSA-N 319.365 -0.066 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)Cc1ccc[nH]1 1076220085 OPHZBKMHGZQXSF-LBPRGKRZSA-N 318.377 -0.292 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H](C)CCNC(=O)c1cnnn1C 1076341832 JTOZTZAUJQNHTO-WDEREUQCSA-N 307.354 -0.522 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CN(Cc3ccon3)C[C@H]2O)[nH]1 1076898376 GDARPPOSRORMCD-CHWSQXEVSA-N 301.306 -0.151 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2ccnc(N3CCCC3)n2)C1 1077256910 JIRIRFPIJZFEHC-ZIAGYGMSSA-N 315.377 -0.515 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)c1cc(F)c[nH]1 1077441569 VDASHNQSNXKMCK-JTQLQIEISA-N 322.340 -0.082 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)Cc2ccc(C(N)=O)cc2)C1 1078252331 BUZAVSJJJGFPNW-CHWSQXEVSA-N 302.334 -0.987 30 20 DBED C[C@@H](C#N)C(=O)N1CCCO[C@@H](CNCc2nc(O)n[nH]2)C1 1078358404 PJZKMTJGSQTJNR-UWVGGRQHSA-N 308.342 -0.623 30 20 DBED Cn1cnn(CC(=O)N[C@H]2C[C@@H](NCC#N)C23CCC3)c1=O 1078662669 BLZSCDPSUXIOED-MNOVXSKESA-N 304.354 -0.878 30 20 DBED CNC(=O)NCC(=O)N1CCC[C@H](N(C)C(=O)[C@@H](C)C#N)CC1 1079058438 DRCFZXJRJAILNA-RYUDHWBXSA-N 323.397 -0.085 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(N(CC)C(=O)c2cnn(C)n2)C1 1080093971 FRROMRXVUUVDKK-HNNXBMFYSA-N 321.381 -0.185 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@@H]2CCc3nnnn3CC2)[C@H](C)C1 1080478446 WUMJHFRTTIGBJF-JHJVBQTASA-N 302.382 -0.305 30 20 DBED C=CCOCC(=O)N1CCC(CO)(NC(=O)c2cn[nH]c2)CC1 1080742729 YMGZPOFFVVKKMW-UHFFFAOYSA-N 322.365 -0.304 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2cnnn2CC)C1 1081460076 BWXOPTDUGDVUEO-DGCLKSJQSA-N 321.381 -0.187 30 20 DBED C=CCOCC(=O)N1C[C@H](CNC(=O)c2nonc2C)[C@@H](O)C1 1081580403 OCZSUNGJXSNMDG-QWRGUYRKSA-N 324.337 -0.870 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCCCN2C(N)=O)C1 1083939838 YMEWQTIQKJPCCK-AGIUHOORSA-N 308.382 -0.896 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2cnn3c2C[C@H](C)CC3)C1 1084004942 AIBAGQIAUSNPMW-KYOSRNDESA-N 302.378 -0.127 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)[C@H]2CCCN2C(C)=O)C1 1084098541 KCUUDRRVWWWBTD-UPJWGTAASA-N 315.801 -0.089 30 20 DBED C#CCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCc2nnc(O)n2C1 1085680898 OVNDBGPLGXLDQO-NWDGAFQWSA-N 303.366 -0.288 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)[C@H]1C 1088895935 FWWPNPBTGBEZDI-YPMHNXCESA-N 318.377 -0.700 30 20 DBED C#CCN1C[C@@H](C)[C@H](CNC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1 1092964799 PXNWWSJBOPAGMS-TUVASFSCSA-N 321.421 -0.061 30 20 DBED C#CCN1CC(OC2CCN(C(=O)[C@H]3CCC(=O)NC3)CC2)C1 1093548296 AOHDKTGNOSGTGW-ZDUSSCGKSA-N 319.405 -0.162 30 20 DBED C=CCN1CCN(C(=O)[C@@H](CC)OC)[C@@H]2CS(=O)(=O)C[C@@H]21 1094614719 LRLNAITZAVZUSP-YNEHKIRRSA-N 316.423 -0.093 30 20 DBED N#Cc1ccc(NCCCNC(=O)CN2CCNC(=O)C2)cn1 1094718787 XLNCOMOXWADTDD-UHFFFAOYSA-N 316.365 -0.697 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)[C@]3(F)CCOC3)CC2=O)C1 1094777733 CFCITJQLZYBXQS-NHYWBVRUSA-N 309.341 -0.851 30 20 DBED CS(=O)(=O)CCC(=O)NCCCNc1nccnc1C#N 1094877346 PGIBEPQVPYSTMS-UHFFFAOYSA-N 311.367 -0.299 30 20 DBED N#Cc1cncc(NCCCNC(=O)CN2CCCNC2=O)n1 1094885656 ZXOFCBOFRBECPR-UHFFFAOYSA-N 317.353 -0.318 30 20 DBED Cn1cc(C(=O)NCCCNc2ccc(C#N)nn2)ncc1=O 1094903470 UHBSKTLZDYZGKC-UHFFFAOYSA-N 313.321 -0.326 30 20 DBED CN(c1ncccc1C#N)[C@H]1CCN(C(=O)CNC(N)=O)C1 1095091507 NAXWGYQYSHAFNK-NSHDSACASA-N 302.338 -0.341 30 20 DBED N#Cc1nccnc1N1CCC[C@@H](NC(=O)C2(C(N)=O)CC2)C1 1096227821 APUSNLUASXLBJC-SNVBAGLBSA-N 314.349 -0.301 30 20 DBED N#Cc1ccc(N2CC[C@H](NC(=O)CNC(=O)C3CC3)C2)nn1 1096320474 CYXUFMBWQIPMJZ-LBPRGKRZSA-N 314.349 -0.431 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC[C@H](Nc2nccn3nnnc23)C1 1096933053 XRHHNPYDHSKXIF-IINYFYTJSA-N 317.353 -0.141 30 20 DBED C#CCN(CCO)C1CCN(C(=O)[C@@H]2CCN(C)C(=O)C2)CC1 1098408248 LPOFBTATIZVKQP-CQSZACIVSA-N 321.421 -0.227 30 20 DBED C=CCN(CCO)C1CCN(C(=O)CN2CC(=O)NC2=O)CC1 1098502147 RTXPPAPSIAONCW-UHFFFAOYSA-N 324.381 -0.991 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)Cn1ncnn1)C[C@H](C)O2 1098599771 LDQHOQXUXDBTFX-ZDUSSCGKSA-N 318.381 -0.612 30 20 DBED C#CCNCc1cn([C@@H]2CCN(C(=O)c3cn(C)nn3)C2)nn1 1098667177 SGWDHPWLYGHFQL-GFCCVEGCSA-N 314.353 -0.783 30 20 DBED N#CCN[C@@H]1CN(C(=O)CN2CCOCC2)C[C@H]1C(F)(F)F 1099238477 PNPJKPYEQALLFT-GHMZBOCLSA-N 320.315 -0.179 30 20 DBED C#CCO[C@H](C)C(=O)NCC[C@H](C)Nc1nccn2nnnc12 1099521140 LFOJTUSQYIRCKD-WDEREUQCSA-N 317.353 -0.136 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(C)=O)CC2(CCOCC2)C1 1099559046 ZWNHUKPYIWWIGA-AWEZNQCLSA-N 307.394 -0.257 30 20 DBED C#CCN1C[C@H](NC(=O)CNC(=O)OC)CC2(CCOCC2)C1 1099566891 XIVNBDCCUAFWFP-CYBMUJFWSA-N 323.393 -0.037 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)c2occc2C)[C@@H](O)C1 1099662980 HKEIMHQULDAEAR-STQMWFEESA-N 319.361 -0.498 30 20 DBED CCNC(=O)CN1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H](O)C1 1099775873 LEHQXLAHYCUMNO-YPMHNXCESA-N 319.365 -0.813 30 20 DBED C#CCN1CC[C@H](NC(=O)CCNC(=O)C(C)(C)C)[C@@H](O)C1 1099942170 NJUUJAKBCJKDKX-STQMWFEESA-N 309.410 -0.277 30 20 DBED CN(CCNC(=O)CN1C(=O)CCC1=O)c1ccnc(C#N)n1 1100106818 DITVRHVXFQERAC-UHFFFAOYSA-N 316.321 -0.950 30 20 DBED CN(CCNC(=O)C[C@@H]1CCC(=O)N1C)c1nccnc1C#N 1100254327 QMSJGHBHALHLPC-NSHDSACASA-N 316.365 -0.088 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)C[C@@](C)(O)C2CC2)C1 1100256765 YBBILZMFMKCWAF-MKTAYPAQSA-N 321.421 -0.229 30 20 DBED CN1C[C@@H](C(=O)NCCN(C)c2ccncc2C#N)CC1=O 1100383605 HALOZYNWIRXYJR-NSHDSACASA-N 301.350 -0.016 30 20 DBED CCN(CCNC(=O)CCn1cnnn1)c1cnc(C#N)cn1 1100600596 ZPKBPRIVWUNTSH-UHFFFAOYSA-N 315.341 -0.632 30 20 DBED CC(=O)NC(C)(C)C(=O)NCC1CC(NCC(=O)NCC#N)C1 1100760378 VVFJRDLMSCHNKQ-UHFFFAOYSA-N 323.397 -0.975 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1CNC(=O)[C@@H]1CCCO1 1101698844 XJXRBOSDWNSBKB-UPJWGTAASA-N 308.382 -0.511 30 20 DBED CO[C@@H](C(=O)NC[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C)C1CC1 1101925753 APXWNFWMAMXYHT-UXIGCNINSA-N 322.409 -0.265 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN([C@H]2CCNC2=O)C[C@H]1C 1101962002 QFIKEDSMZAFUOA-MCIONIFRSA-N 307.394 -0.401 30 20 DBED C[C@@H](CNC(=O)CC(=O)N(C)C)CNc1nccnc1C#N 1104229847 WZWDZLSTXOCGJQ-JTQLQIEISA-N 304.354 -0.009 30 20 DBED C[C@@H](CNc1nccnc1C#N)N(C)C(=O)[C@H]1CN(C)CCO1 1104538618 PGCHWHSDNMBUPV-WCQYABFASA-N 318.381 -0.062 30 20 DBED C[C@@H](CNc1cncc(C#N)n1)N(C)C(=O)C1CS(=O)(=O)C1 1104696852 BWSFWNPWIAJQFL-VIFPVBQESA-N 323.378 -0.348 30 20 DBED CC#CCNCc1cn(C2CN(C(=O)c3cnn[nH]3)C2)nn1 1105276892 WZJPRLFBOMNELS-UHFFFAOYSA-N 300.326 -0.794 30 20 DBED CCC(=O)NCC(=O)N(C)CCN(C)c1ccnc(C#N)n1 1105370647 HRQAXDKNHPTPMS-UHFFFAOYSA-N 304.354 -0.231 30 20 DBED CN(CCN(C)c1ccc(C#N)nn1)C(=O)c1cn(C)c(O)n1 1105556117 STLRARBXEZAQFF-UHFFFAOYSA-N 315.337 -0.004 30 20 DBED CN1CCC[C@@H]1C(=O)NC[C@H](O)CNc1ncccc1C#N 1105756488 VKISWKOQWWZUSU-CHWSQXEVSA-N 303.366 -0.064 30 20 DBED Cc1cc(=NC[C@H](O)CNC(=O)C2=CCOCC2)c(C#N)c[nH]1 1105799187 WZTMVLBXHVRMNR-AWEZNQCLSA-N 316.361 -0.081 30 20 DBED C=CCOCC(=O)N1C[C@@H](C)[C@H](CN[C@H]2CCC(=O)NC2=O)C1 1105941967 SJZOWNQDLVCEDJ-UPJWGTAASA-N 323.393 -0.322 30 20 DBED Cc1n[nH]cc1C(=O)NC[C@H](O)CN=c1cc[nH]cc1C#N 1106062902 OCHUESXJKLYDQJ-LLVKDONJSA-N 300.322 -0.391 30 20 DBED Cn1cc(C(=O)NC[C@H](O)CNc2ncccc2C#N)nc1O 1106093488 XVRRLGSEAUOHKU-SNVBAGLBSA-N 316.321 -0.405 30 20 DBED Cc1nsc(NC[C@@H](O)CNC(=O)[C@H]2C[C@H]2C(N)=O)c1C#N 1106119828 RIBAYBOIRVEYBJ-YIZRAAEISA-N 323.378 -0.666 30 20 DBED Cc1c(C(=O)N[C@@H](C)CCN=c2cc[nH]c(C#N)n2)nnn1C 1106290511 HMQYAOAVVBEJKJ-VIFPVBQESA-N 314.353 -0.172 30 20 DBED C[C@@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)[C@H]1CCCC(=O)N1 1106479037 QKNOQLNSUOIXBJ-WDEREUQCSA-N 316.365 -0.254 30 20 DBED C[C@@H]1CN(C(=O)c2ccn(C)n2)C[C@H]1CNCC(=O)NCC#N 1106982277 HCPWWBIFUVKZDC-VXGBXAGGSA-N 318.381 -0.642 30 20 DBED CC(=O)N[C@@H](C)C(=O)NC/C=C/CN=c1cc[nH]cc1C#N 1107020641 GVLRFHRZARZVRF-UFFNRZRYSA-N 301.350 -0.016 30 20 DBED CNC(=O)[C@H](C)N1CC(n2cc(CNC(=O)[C@H](C)C#N)nn2)C1 1107149768 PZFHKBRBRQCJLO-ZJUUUORDSA-N 319.369 -0.955 30 20 DBED C[C@H](C(=O)NC[C@]1(C)CN(CC(=O)NCC#N)CCO1)C1CC1 1107845542 IJEHVVIQJDBENO-BLLLJJGKSA-N 322.409 -0.121 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)c2ccnc(OC)n2)C1 1108065415 UDADELXOKJRHMZ-OAHLLOKOSA-N 304.350 -0.061 30 20 DBED C[C@H](CNc1cncc(C#N)n1)NC(=O)[C@H]1C[C@H]1C(=O)N(C)C 1108111583 NSTMOPREBKAJMJ-ADEWGFFLSA-N 316.365 -0.011 30 20 DBED CO[C@H](C(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1)C(C)C 1108569949 SNIKHFAENLFXQC-RISCZKNCSA-N 308.382 -0.418 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@]12COC[C@@H]1C2 1109307329 FZRQYVFPNRINMZ-WLZFUECHSA-N 317.389 -0.506 30 20 DBED Cc1cc(C#N)nc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)CNC(N)=O)n1 1109679886 PQXIXDAYCVCPCK-QRTLGDNMSA-N 315.337 -0.982 30 20 DBED Cc1ocnc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1110340744 VOVZTIVHYCPAFJ-UTUOFQBUSA-N 317.349 -0.042 30 20 DBED CC(=O)NCC(=O)N1CCC[C@H]1CNc1nccnc1C#N 1110527917 XDEJZHIFAWOLFZ-NSHDSACASA-N 302.338 -0.113 30 20 DBED CNC(=O)CC(=O)N1CCC[C@H]1CN=c1cc[nH]cc1C#N 1110539692 FSDSUHKJFDPZEX-LBPRGKRZSA-N 301.350 -0.086 30 20 DBED COC[C@H](OC)C(=O)N1CCC[C@H]1CN=c1cc[nH]c(C#N)n1 1110561645 LIOBUYKFPIMFBB-RYUDHWBXSA-N 319.365 -0.166 30 20 DBED C[C@@H]1CN(C(=O)CCNC(N)=O)C[C@@H]1Nc1ccc(C#N)nn1 1112312485 HCVGRHAHIILJOG-KOLCDFICSA-N 317.353 -0.335 30 20 DBED COCC(=O)N[C@H](C)C(=O)N1C[C@@H]2CCC[C@]2(CNCC#N)C1 1112367116 YSIRSHKMUCYGLT-WWGRRREGSA-N 322.409 -0.121 30 20 DBED COCC#CCN1CCN(C(=O)C(=O)NCC(F)F)CC1 1113058768 IIOKHITZECKZLV-UHFFFAOYSA-N 303.309 -0.838 30 20 DBED C=CCn1cc(C(=O)N2CCN(C[C@@H](O)COC)CC2)nn1 1113413065 FIASNXHUNPLCDN-GFCCVEGCSA-N 309.370 -0.771 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1[C@@H]2CN(Cc3ncnn3CCF)C[C@@H]21 1114066333 BMMUOJPMLNBEMO-DCQANWLSSA-N 306.345 -0.046 30 20 DBED CO[C@@H](C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21)C1CC1 1114209058 KGIDHIGBBSJTKO-UVLXDEKHSA-N 306.366 -0.902 30 20 DBED CC(C)(C)C#CC(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1114258588 VUULIJWOZIOMBE-JYAVWHMHSA-N 302.378 -0.278 30 20 DBED C[C@@H]1[C@H](C(=O)N[C@H]2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]32)CCN1C 1114298046 BIWMKFTYADBVNI-NTASLKFISA-N 319.409 -0.987 30 20 DBED CCNC(=O)CC(=O)N(C)C[C@H](C)N=c1cc[nH]c(C#N)n1 1115685510 HTVQEUBKULDQEA-JTQLQIEISA-N 304.354 -0.445 30 20 DBED C=CCOCCNC(=O)C(=O)N(CCS(C)(=O)=O)C1CC1 1118386688 YNYYCECHXTTWRA-UHFFFAOYSA-N 318.395 -0.659 30 20 DBED C[C@@H](CN(C)C(=O)Cn1ncnn1)Nc1nccnc1C#N 1120128932 UFHNNRKZJYRIRV-VIFPVBQESA-N 301.314 -0.706 30 20 DBED Cc1cc(C#N)nc(N[C@@H](C)CN(C)C(=O)c2nnn(C)n2)n1 1120502311 OGCBVKPSYRGZLO-VIFPVBQESA-N 315.341 -0.247 30 20 DBED N#CCSCC(=O)NC[C@@H](CO)Nc1nccnc1C#N 1121079856 XDCLEDSKFVFJHC-VIFPVBQESA-N 306.351 -0.506 30 20 DBED CC(C)[C@H](C(=O)NC[C@@H](CO)Nc1cncc(C#N)n1)N(C)C 1121838641 JLPNSQDCGQCKIF-GXTWGEPZSA-N 320.397 -0.177 30 20 DBED COCCO[C@H](C)C(=O)NC[C@H](CO)Nc1ccc(C#N)cn1 1122011831 DDQXSDHGJDZZPE-DGCLKSJQSA-N 322.365 -0.106 30 20 DBED CN1C[C@H](C(=O)NC[C@@H](CO)Nc2ncccc2C#N)CC1=O 1122718108 LPONNPVRZABXPY-NEPJUHHUSA-N 317.349 -0.679 30 20 DBED N#Cc1ccc(CNCCNC(=O)Cn2cnnn2)c(F)c1 1123313627 TVPVSLVBTZASGI-UHFFFAOYSA-N 303.301 -0.410 30 20 DBED CN(C[C@@H](O)CNc1ccc(C#N)nn1)C(=O)CSCC#N 1124112601 XYTPOYDMVKCBLV-NSHDSACASA-N 320.378 -0.164 30 20 DBED N#CCN1CCn2ncc(CNC(=O)Cc3cncnc3)c2C1 1128341930 XTADNGIMDRQESM-UHFFFAOYSA-N 311.349 -0.129 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1nc(C)c(C)nc1O 1130127039 RHGYNHSANDZAHK-NSHDSACASA-N 319.365 -0.744 30 20 DBED COCCN1CCOC[C@H]1c1n[nH]c(CNC(=O)[C@@H](C)C#N)n1 1130835014 IPHBRIVMBTYESH-QWRGUYRKSA-N 322.369 -0.400 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)Cn2cncc2C)C1=O 1131380175 FHOFEKGWQXHOBR-ZDUSSCGKSA-N 305.382 -0.316 30 20 DBED C=C(C)CN1CCNC(=O)CCN(C(=O)CC(=O)N(C)C)CC1 1131386118 VRIPREFVQSFQOQ-UHFFFAOYSA-N 324.425 -0.309 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)CN2CCNC(=O)C2)CC[C@@H]1C 1133032347 YRUQGYLDNVKMIV-LSDHHAIUSA-N 320.437 -0.484 30 20 DBED C[C@@H](C[C@@H](C)NCC(=O)NCC#N)NC(=O)c1cnn(C)c1 1133666287 GLPJHDRVOJZTAS-MNOVXSKESA-N 306.370 -0.454 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)C[C@H](C)NCc1nc(O)n[nH]1 1134130211 DTUVCUSQGYMUMM-UWVGGRQHSA-N 322.369 -0.977 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)NCCN[C@H](C)C(=O)N(C)C 1134817481 YCAFJDPYHHFKJM-DGCLKSJQSA-N 312.414 -0.360 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)C(=O)N1CCC(C)CC1 1134874240 DVFRYKLNPHBVKW-CYBMUJFWSA-N 324.425 -0.359 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCNCc1nc(=O)n(C)[nH]1 1135147912 SUAFCNVDAREUNK-JQWIXIFHSA-N 309.370 -0.705 30 20 DBED C#CCNC(=O)CNCCNC(=O)C1(C(=O)N(C)C(C)C)CC1 1135992951 OVDHCYIKOXLVTE-UHFFFAOYSA-N 322.409 -0.911 30 20 DBED C=CCNC(=O)CN1CCC2(C1)CN(C(=O)c1ncn(C)n1)C2 1147469417 YMOUHDQNYRUXQU-UHFFFAOYSA-N 318.381 -0.735 30 20 DBED CC(C)(NS(C)(=O)=O)C(=O)N1CC2(CCN(CC#N)C2)C1 1148401909 BUTAOSFQHQFHRI-UHFFFAOYSA-N 314.411 -0.628 30 20 DBED C=C(Br)CNCCNC(=O)Cn1c(O)nnc1O 1149141978 VRVGRHQHBZYMSB-UHFFFAOYSA-N 320.147 -0.696 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(CC(=O)N(C)C)CCCO1 1149672398 BNGOXNIMBWZFJG-AWEZNQCLSA-N 309.410 -0.059 30 20 DBED N#CCN1CCCO[C@@H](CNC(=O)C(=O)NCC(F)F)C1 1149930211 JFHQRAHBZZIRIH-VIFPVBQESA-N 304.297 -0.902 30 20 DBED N#Cc1cc(CNCCNC(=O)CCNC(N)=O)ccc1F 1150423383 FUFSYQYDXBNPDJ-UHFFFAOYSA-N 307.329 -0.038 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@H](C)NC(=O)c1ccco1 1151660718 UDZLRUGIBQAQLD-NSHDSACASA-N 322.365 -0.594 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)[C@H](C)n1cccn1 1152030981 NFLPHDMTBFICTF-OLZOCXBDSA-N 320.397 -0.090 30 20 DBED C#CCN1CCC(C(=O)NCCNCC(=O)N(C)C2CC2)CC1 1152334828 QOTMOBDCFSRKBS-UHFFFAOYSA-N 320.437 -0.342 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)c1cc(OCC)n[nH]1 1160717493 KKKSDRFOCYNNLX-LLVKDONJSA-N 321.381 -0.344 30 20 DBED COCC1(CNC(=O)[C@@H]2CCC(=O)N2C)CCN(CC#N)CC1 1162418588 DKVIQSVFERVUMQ-ZDUSSCGKSA-N 322.409 -0.024 30 20 DBED C#CCNC(=O)CNCCCNC(=O)Cc1cnn(CC)c1 1170810413 CJQFSTBMPGPVMO-UHFFFAOYSA-N 305.382 -0.709 30 20 DBED C#CCNCCCC[C@H](C)NC(=O)Cn1ccc(=O)n(C)c1=O 1171120448 LXLOZQNNGIUTNP-ZDUSSCGKSA-N 320.393 -0.555 30 20 DBED C=CCNC(=O)CNCCCCCCNC(=O)[C@@H]1CCNC1=O 1179230424 MBEBSZSEBNOLBV-ZDUSSCGKSA-N 324.425 -0.309 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 1183288777 ODXAPPYTPIOZQY-UONOGXRCSA-N 320.437 -0.201 30 20 DBED COCC#CCNC[C@H]1CCN(C(=O)Cn2ncnn2)C[C@@H]1C 1184399744 MRICMXQWFSPFFC-UONOGXRCSA-N 320.397 -0.603 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3cnn(C)c3)[C@@H]2C1 1186778292 KVNDXDCODWBBQE-GXTWGEPZSA-N 315.377 -0.684 30 20 DBED CC(=O)NCCOCCN(C)[C@@H]1CCN(C(=O)[C@H](C)C#N)C1 1189400508 LKQHOPSIFACRNV-TZMCWYRMSA-N 310.398 -0.169 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](N(C)CCCN2C(=O)CNC2=O)C1 1189400883 PXPREOOYEPRQJW-NWDGAFQWSA-N 321.381 -0.379 30 20 DBED CN(CC(=O)NCC#N)[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 1189676176 WSZSHRAXNQVSNV-GFCCVEGCSA-N 314.349 -0.328 30 20 DBED CN(CC(=O)NCC#N)[C@@H]1CCN(C(=O)Cc2ccn(C)n2)C1 1190066092 DELWXOBQTQBXSR-CYBMUJFWSA-N 318.381 -0.865 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)[C@@H](C)OCC#C)C1 1190095153 QLUKLXWGIBTAMZ-ZIAGYGMSSA-N 305.378 -0.693 30 20 DBED COCC#CCN(C)[C@H]1CCN(C(=O)[C@]2(C)CNC(=O)C2)C1 1191478024 CTTILJXYOHOLCE-BBRMVZONSA-N 307.394 -0.305 30 20 DBED CC(C)(C)C#CC(=O)N[C@@H]1CN([C@@H]2CCCNC2=O)C[C@H]1O 1192871180 LCBKZHCEEZPAGY-JHJVBQTASA-N 307.394 -0.524 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)c2cncnc2)C1 1195581579 USKNVTXIUVGSAP-NWANDNLSSA-N 318.377 -0.609 30 20 DBED N#CCNC(=O)CN1CCCN(C(=O)CCc2cn[nH]c2)CC1 1197388555 FPDDFZQGNCKHLD-UHFFFAOYSA-N 318.381 -0.484 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)[C@@H]2CC2(C)C)CCCO1 1200283651 RLVDFLYHUCJCEM-KGLIPLIRSA-N 321.421 -0.011 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCC(NCc2nc(O)n[nH]2)CC1 1200335200 XZAXVQGBCQJDTK-CQSZACIVSA-N 309.370 -0.082 30 20 DBED C#CCNC[C@H]1CN(C(=O)Cn2cc(C3CC3)nn2)CCCO1 1200687711 GEVFUXNVGQEQMQ-AWEZNQCLSA-N 317.393 -0.004 30 20 DBED C=C(C)CNC1CCN(C(=O)CNS(=O)(=O)N(C)C)CC1 1202700286 ZOYLYCGTLZPXSW-UHFFFAOYSA-N 318.443 -0.461 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC(NCC(=O)NC)CC1 1202802467 UJHKHBKQWJUHKQ-CQSZACIVSA-N 324.425 -0.216 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CN[C@H](C)C(=O)NC(N)=O)CC1 1204811121 GBCTVTGRXNNCLD-NXEZZACHSA-N 309.370 -0.442 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)CO[C@@H](C)CC)[C@H](C)C1 1206879742 NTMFLHFQKMGZIF-HZSPNIEDSA-N 309.410 -0.013 30 20 DBED C=CCCCN1C[C@@H](NC(=O)CN2CCNC(=O)C2)[C@H](C)C1 1208283764 AKBVRPPZWKLNRA-ZIAGYGMSSA-N 308.426 -0.179 30 20 DBED Cc1nc(C)c(C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@H]2C)[nH]1 1208668007 JEAPAHJKZIFYMP-BXKDBHETSA-N 318.381 -0.284 30 20 DBED C#CCCN[C@H]1CCCN(C(=O)[C@@H]2COCCN2C(C)=O)C1 1211160791 QWXCWAZFXNCHAQ-GJZGRUSLSA-N 307.394 -0.162 30 20 DBED C#CCN[C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1c1ccccc1 1211528210 MQTHACBHBCLCLF-UONOGXRCSA-N 300.362 -0.128 30 20 DBED C#CCN1C[C@@H](NC(=O)COCc2ccnn2C)[C@H](OC)C1 1212452662 GFORNJJLFIXFPO-ZIAGYGMSSA-N 306.366 -0.615 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CCOCC)C[C@H]1C 1214317616 LKKSEGAJYQTWRR-MGPQQGTHSA-N 309.410 -0.013 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C[C@H]2C=CCC2)C1 1219155698 NRMPBEIYKHQCDP-MJBXVCDLSA-N 305.378 -0.747 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)COCCCC)C1 1219407493 ANZNQCXKTDRQHL-OLZOCXBDSA-N 313.398 -0.733 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)C(F)=C(C)C)C1 1219461776 MVARLSDUHPALKB-TUAOUCFPSA-N 311.357 -0.451 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C[C@@H](C)SC)C1 1219475645 ANLSPCCMPDJGOJ-UTUOFQBUSA-N 313.423 -0.961 30 20 DBED C=C[C@](C)(CCOC)C(=O)N[C@@H]1CN(CCCO)C[C@@H]1O 1220075957 MLXOZRSMPNCZBO-VNHYZAJKSA-N 300.399 -0.241 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)C(C)(C)CC=C)C1 1220436672 CCEGLWAUKUPULV-MJBXVCDLSA-N 321.421 -0.112 30 20 DBED C=CCCCN1C[C@H](O)[C@H](NC(=O)CN2CC(=O)N(C)C2=O)C1 1220752581 GCZWJPYHSPYZTK-NEPJUHHUSA-N 324.381 -0.992 30 20 DBED N#CCNC(=O)CN1CC[C@@H]2CN(C(=O)C3=CCOCC3)[C@@H]2C1 1221497583 UNPNJHKNSXTUEA-ZIAGYGMSSA-N 318.377 -0.494 30 20 DBED CC(C)(O)CC(=O)NCC1CCN(CC(=O)NCC#N)CC1 1223050816 ASSRSFCTNTXOSH-UHFFFAOYSA-N 310.398 -0.385 30 20 DBED COCC#CCN1CCC(CNC(=O)[C@@H]2CCN(C)C2=O)CC1 1224144551 VZZWKVXCSXEQHN-HNNXBMFYSA-N 321.421 -0.057 30 20 DBED CCC(=O)N[C@H](C)C(=O)NC1CCN(CC(=O)NCC#N)CC1 1227496798 SXRHYBHHAUNGTR-LLVKDONJSA-N 323.397 -0.879 30 20 DBED C=CCOCC(=O)N(C)C[C@@H]1CCN1[C@H]1CCC(=O)NC1=O 1231241078 QJLFOBQAQVKWKB-RYUDHWBXSA-N 309.366 -0.473 30 20 DBED CC#CCN1CC[C@@H]1CN(C)C(=O)CN(C)S(C)(=O)=O 1234976002 SPYSBQLAOKUXIK-GFCCVEGCSA-N 301.412 -0.566 30 20 DBED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc2c(c1)CC(=O)N2 1320107469 PYHVGERXCZHYBJ-UHFFFAOYSA-N 316.317 -0.462 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)CCNC(=O)COC 1321659770 DTVLPJOSLZYQOA-SECBINFHSA-N 315.326 -0.917 30 20 DBED Cc1nc([C@H]2CCCN(C(=O)NCC(=O)NCC#N)C2)n[nH]1 1323103977 VERXHUPOSPPSQY-JTQLQIEISA-N 305.342 -0.358 30 20 DBED C=CCN(CCOC)C(=O)C(=O)NC[C@H]1COC(C)(C)O1 1323306240 XSLQKRBHPUACJH-NSHDSACASA-N 300.355 -0.085 30 20 DBED COCCO[C@H]1COCC[C@@H]1NC(=O)C(=O)NCCCC#N 1323341812 BUZNYXIQTYHHEK-RYUDHWBXSA-N 313.354 -0.657 30 20 DBED C#CCOCCNC(=O)C(=O)N(C)C[C@H]1CCN(C(C)=O)C1 1323699775 WKRFHOYSMUAWPH-CYBMUJFWSA-N 309.366 -0.921 30 20 DBED Cc1nc(Cl)ccc1NC(=O)C(=O)NCC(=O)NCC#N 1323809306 NOEKPIWFEPSXCN-UHFFFAOYSA-N 309.713 -0.262 30 20 DBED C#CCSCCNC(=O)C(=O)N1CC[C@@H](n2cncn2)C1 1324964108 SQLPHZWQBZUFFQ-LLVKDONJSA-N 307.379 -0.466 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)C(=O)N2C[C@H]3[C@H]4C=C[C@@H](O4)[C@H]3C2)C1 1326269829 XQZFWIAZINDKQR-ZUSNOYAUSA-N 317.345 -0.725 30 20 DBED CCN(CCCN(C)C)C(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1327039037 KUAROYCSKRZXMP-HNNXBMFYSA-N 310.398 -0.336 30 20 DBED C=CCC1(O)CCN(C(=O)C(=O)N2CCO[C@H](CN)C2)CC1 1331705100 CZPVMNBMAVPHCI-GFCCVEGCSA-N 311.382 -0.898 30 20 DBED C=C(C)COCCNC(=O)C(=O)N1CCn2cnnc2[C@H]1C 1343162742 OZXZYAJADGWJKF-LLVKDONJSA-N 307.354 -0.110 30 20 DBED N#Cc1ncn(CC(=O)NC[C@H]2COC3(CCOCC3)O2)n1 1362290537 BCRLVEGRYUBNTG-JTQLQIEISA-N 307.310 -0.812 30 20 DBED CNS(=O)(=O)CC(=O)N[C@@H](C)CNCc1ccc(C#N)cc1 1367770057 BEDRLLLTFIZXTP-NSHDSACASA-N 324.406 -0.298 30 20 DBED CCN(CCNC(=O)[C@H]1COCCN1CC)C(=O)[C@@H](C)C#N 1373864927 IFCCPRKAAPUDIY-QWHCGFSZSA-N 310.398 -0.169 30 20 DBED C[C@@H](CC(N)=O)C(=O)N[C@H](C)CN(C)C(=O)c1cc(C#N)c[nH]1 1381938617 JXOVTUXAONNPEN-VHSXEESVSA-N 319.365 -0.025 30 20 DBED CNC(=O)NCC(=O)N[C@H]1CC12CCN(C(=O)[C@H](C)C#N)CC2 1385839414 QZOCPMWYTNDZNG-MNOVXSKESA-N 321.381 -0.428 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CCN(C(=O)c2ccc(C(N)=O)cn2)C1 1385847950 DJSMGMDMKWZCFO-KOLCDFICSA-N 315.333 -0.329 30 20 DBED CCN(CCNC(=O)c1cc(C#N)c[nH]1)C(=O)[C@H]1C[C@H]1C(N)=O 1387178993 QVWMTZXRZAHCGB-MNOVXSKESA-N 317.349 -0.414 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNCc1nc(C2CC2)nn1C 1401504641 QTKVMYZDIOZPOV-MWLCHTKSSA-N 306.370 -0.581 30 20 DBED CCCCn1nnnc1CN1CC(O)(CNC(=O)[C@H](C)C#N)C1 1407399137 QSUMBZQNHNZQSB-LLVKDONJSA-N 321.385 -0.704 30 20 DBED C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)[C@@H]1CCC(=O)NC1 1408117163 YBGVNCCYRFHYGF-GXSJLCMTSA-N 317.349 -0.353 30 20 DBED CCN(C(=O)CNC(=O)NC)[C@@H]1CCN(C(=O)[C@H](C)C#N)C1 1409208499 JUKJVWPUHQYUPV-GHMZBOCLSA-N 309.370 -0.476 30 20 DBED CC[C@@H](CNC(=O)c1cn(C)c(=O)nc1O)NC(=O)[C@H](C)C#N 1409312413 REBOOCCLNPEMGB-BDAKNGLRSA-N 321.337 -0.730 30 20 DBED Cc1cnc2nc(C(=O)NCCN(C)C(=O)[C@@H](C)C#N)nn2c1 1415529489 PHSLPEUEUXOORM-JTQLQIEISA-N 315.337 -0.219 30 20 DBED C=C(Cl)CN[C@@H](C)CNC(=O)CNS(=O)(=O)N(C)C 1419863124 PTIVYDZEHGGRRC-VIFPVBQESA-N 312.823 -0.771 30 20 DBED C[C@@H](CNC(=O)CN(C)C(=O)C1CC1)CNC(=O)[C@H](C)C#N 1432984270 ZBESANSAXGFUGS-WDEREUQCSA-N 308.382 -0.117 30 20 DBED CC(=O)N[C@@H](C)C(=O)N(C)CCN(C)C(=O)c1ccc(C#N)[nH]1 1433144185 QWAGXYQKYZXAMZ-JTQLQIEISA-N 319.365 -0.059 30 20 DBED N#Cc1cn(CC(=O)NC[C@@H](O)c2ccsc2)c(=O)nc1O 1445684130 WOPLBZNNLIQTSJ-SNVBAGLBSA-N 320.330 -0.268 30 20 DBED Cc1cnc(CC(=O)NCCn2cc(C#N)c(O)nc2=O)s1 1453847601 ZTRMCVVDCINQRZ-UHFFFAOYSA-N 319.346 -0.056 30 20 DBED N#Cc1cn(CCNC(=O)NC[C@H]2CCOC2)c(=O)nc1O 1477375264 UNOSCUAUUSDMPM-SECBINFHSA-N 307.310 -0.844 30 20 DBED C[C@@H]1C[C@@H](NC(=O)NCCn2cc(C#N)c(O)nc2=O)CO1 1478915415 IOUYEVVNTXVMDP-PSASIEDQSA-N 307.310 -0.703 30 20 DBED COC1(CC(=O)N2CC[C@H](NCC(=O)NCC#N)C2)CCC1 1480614043 DVHLXEKYZWMZPZ-LBPRGKRZSA-N 308.382 -0.224 30 20 DBED C[C@@H](C#N)C(=O)NC1CN(C(=O)c2noc3c2COCC3)C1 1498384167 SIUAHOKFORUPLT-QMMMGPOBSA-N 304.306 -0.152 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C(=O)CCCS(C)(=O)=O)CC1 1522461178 SHXZOLMYLVBONU-LLVKDONJSA-N 315.395 -0.358 30 20 DBED C[C@H](C#N)C(=O)NCCN(C)C(=O)[C@@H](C)CS(C)(=O)=O 1528596989 PLYUZIZYDROCQG-ZJUUUORDSA-N 303.384 -0.599 30 20 DBED CCCN(CCNC(=O)CS(=O)(=O)NC)C(=O)[C@@H](C)C#N 1529562437 KISLPQVBJQGKOZ-JTQLQIEISA-N 318.399 -0.950 30 20 DBED COc1ccccc1CC(=O)NC[C@@H](O)CNC(=O)[C@H](C)C#N 1533320185 JKRAYMCOOJWAOM-DGCLKSJQSA-N 319.361 -0.009 30 20 DBED N#Cc1nc(NC(=O)C2=C[S@@](=O)CCC2)[nH]c1-c1nn[nH]n1 1581860037 HUHMYXDHJOHHHL-QFIPXVFZSA-N 318.322 -0.174 30 20 DBED C#CCN(CC(=O)O)C(=O)C(=O)Nc1ccc([S@](C)=O)cc1 1588395288 LGBDRBLUAYZRAQ-QFIPXVFZSA-N 322.342 -0.091 30 20 DBED C#CC[C@H](NC(=O)[C@@H](NC(=O)C1CCCC1)[C@@H](C)O)C(=O)O 1588398284 GIOYRCKCPMLINU-USWWRNFRSA-N 310.350 -0.365 30 20 DBED C#CC[C@H](NS(=O)(=O)CC1(CC(=O)O)CC1)C(=O)OC 1588423554 KNPDDGQGFOYQSL-VIFPVBQESA-N 303.336 -0.274 30 20 DBED C#CCO[C@H](C)c1nc(-c2cn(CC(=O)O)c(=O)nc2O)no1 1588430997 JEUIKPHKJUKGPQ-SSDOTTSWSA-N 320.261 -0.206 30 20 DBED CCn1cnnc1CCNc1cnc(-c2nn[nH]n2)c(C#N)n1 1590963762 KJMYXHPTSDKAEY-UHFFFAOYSA-N 311.313 -0.206 30 20 DBED N#CCN(CC#N)S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 1592677309 IRXFDGXMZOBLKH-UHFFFAOYSA-N 303.307 -0.095 30 20 DBED C#C[C@@H](C)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[nH]n1 1602689651 JWPQWUKIWLXZPT-MRVPVSSYSA-N 317.357 -0.232 30 20 DBED COC[C@H](CCNc1cnc(C#N)c(-c2nn[nH]n2)n1)OC 1605053116 SDZJZXLAXTXOGE-QMMMGPOBSA-N 304.314 -0.008 30 20 DBED CCS(=O)(=O)N(C)CC(=O)N1CC[C@H](CNCC#N)C1 1752957385 YGMMSONVIOHDBG-LLVKDONJSA-N 302.400 -0.770 30 20 DBED CN(CC(=O)NCC#N)[C@H]1CCCN(C(=O)c2ncc[nH]2)C1 1752990799 ITALFTYIGIBNCN-NSHDSACASA-N 304.354 -0.414 30 20 DBED C#CCCCC(=O)N(C)CCN1CCN(CC(=O)NC)CC1 1753341564 BMNJFSRGKBMBMT-UHFFFAOYSA-N 308.426 -0.388 30 20 DBED C#CCNC(=O)[C@H](C)N1CC(NC(=O)c2cc(CC)nn2C)C1 1753389363 KTHHDRYRRKKRBJ-NSHDSACASA-N 317.393 -0.466 30 20 DBED C=CCNC(=O)CNC[C@H](C)CNC(=O)[C@@H]1CCNC(=O)C1 1753610507 UAEZCSVCRVOAFP-NWDGAFQWSA-N 310.398 -0.843 30 20 DBED C=CCNC(=O)CNC[C@H](C)CNC(=O)c1cnnc(O)c1 1753620960 ZFGDMJCSEZSHFM-JTQLQIEISA-N 307.354 -0.560 30 20 DBED C=CCNC(=O)CN[C@H](CNC(=O)c1nccnc1N)C(C)C 1753826137 PPGQBHWRBYZWGA-LLVKDONJSA-N 320.397 -0.295 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H](O)CNCc2nnc(C)o2)nc1 1753934310 UXURNFPMGMWFJU-LBPRGKRZSA-N 315.333 -0.365 30 20 DBED C#CCNC(=O)[C@@H](C)NCC[C@@H](C)NC(=O)c1[nH]c(O)nc1C 1753973607 UPJJZXIGXPLGFS-MWLCHTKSSA-N 321.381 -0.340 30 20 DBED C=CCOCC(=O)N1CC[C@]2(CCN(Cc3nnnn3C)C2)C1 1754563232 GHPOVMSTUDIOJN-HNNXBMFYSA-N 320.397 -0.163 30 20 DBED C#CCN(C(=O)[C@@H]1CCC(=O)N1)C1CCN(C[C@H](C)O)CC1 1754642784 YXKVYIXYWUHFGQ-JSGCOSHPSA-N 307.394 -0.428 30 20 DBED N#CCNC(=O)CNC1(CNC(=O)[C@H]2CCCO2)CCOCC1 1754733587 COCMIGGSTPEERU-GFCCVEGCSA-N 324.381 -0.940 30 20 DBED CC#CCN1CCC[C@@](CO)(NC(=O)C[C@H]2CC(=O)NC2=O)C1 1754859836 DTLYYSAZKKJPPE-MLGOLLRUSA-N 321.377 -0.994 30 20 DBED C#CCNC(=O)CN1CCOC[C@@H]1CNC(=O)C[C@H]1CCCO1 1754964161 VXUHUCCCPCOSTJ-UONOGXRCSA-N 323.393 -0.878 30 20 DBED C#CCNC(=O)CNC1(CNC(=O)c2[nH]nnc2C)CCC1 1754984856 ZMFPKTAXXNTGKR-UHFFFAOYSA-N 304.354 -0.895 30 20 DBED COCC#CCNC1(C)CCN(C(=O)Cn2cnnn2)CC1 1755126047 PGTNFGFLCJDRAH-UHFFFAOYSA-N 306.370 -0.706 30 20 DBED C#CCCNCC1(O)CCN(C(=O)[C@@H]2C[C@@H]2C(=O)OC)CC1 1755147868 HYWDWJJLXIIRES-OLZOCXBDSA-N 308.378 -0.238 30 20 DBED N#CCNC(=O)CN1C[C@H]2CC[C@H]1CN2C(=O)[C@@H]1CC1(F)F 1755395027 PNGSEBAEPHNITD-AXFHLTTASA-N 312.320 -0.043 30 20 DBED C=CCN1CC[C@H](NC[C@H](O)CN(C)C(=O)C(F)F)C1=O 1755770486 UUKPSNWIAHTACL-UWVGGRQHSA-N 305.325 -0.553 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)[C@H](C)NC(=O)COC(C)C 1755956731 TVEQHWXGSTZJMU-RYUDHWBXSA-N 311.382 -0.440 30 20 DBED C[C@H](C#N)C(=O)NCC1[C@@H]2CN(C(=O)CC(=O)N(C)C)C[C@@H]12 1756209163 AUFPBAOMYHMXLR-USWWRNFRSA-N 306.366 -0.555 30 20 DBED CN(C[C@@H](O)CNC(=O)C#CC1CC1)C(=O)C[C@@H]1CCCO1 1756653509 GNKSECYTCQEGDU-KBPBESRZSA-N 308.378 -0.096 30 20 DBED Cc1cn(C)nc1C(=O)NC[C@H](O)CN(C)C(=O)C#CC1CC1 1756662361 KOMZUYGYTIASCE-ZDUSSCGKSA-N 318.377 -0.309 30 20 DBED CC#CCCCC(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2cccn2)C1 1756976939 FXFRTORIGYVICR-ZIAGYGMSSA-N 318.377 -0.235 30 20 DBED C=CCCC(=O)N[C@@H]1CN(C(=O)C2(CN(C)C)CC2)C[C@H]1O 1756985282 XTMZGCHXLTUPET-CHWSQXEVSA-N 309.410 -0.018 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(C(=O)c2cn[nH]c2)C[C@H]1OC 1757128937 OLLXIQQFPJGTGY-CYZMBNFOSA-N 320.349 -0.596 30 20 DBED COCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC#N)[C@H]2C1 1786703649 ZUAYKJDIXQILND-AVGNSLFASA-N 309.366 -0.084 30 20 DBED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC3(O)CCC3)C[C@@H]21 1790794825 RTTILOYTCVRCEV-IHRRRGAJSA-N 320.389 -0.096 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccnn1CC 1794888008 ZHKFDNNOCQZZMC-JJLQDPRZSA-N 316.361 -0.261 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccn(C)n1)C2 1800450471 APIPVFGFDURBCT-GNXNZQSNSA-N 302.334 -0.744 30 20 DBED C#CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CC(=O)NC)CC2 1825012289 VMQPJWUNKDKTRQ-QMMMGPOBSA-N 320.374 -0.176 30 20 DBED CC(C)N(CCC#N)C(=O)CN1CCN(S(C)(=O)=O)CC1 52244294 YDOIRJMNZJVDRS-UHFFFAOYSA-N 316.427 -0.286 30 20 DBED CCN(C)C[C@H]1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)C1 78584108 RPJDQZXNPGABFE-LLVKDONJSA-N 305.382 -0.266 30 20 DBED C#CCOCCC(=O)NC[C@H]1CCC[C@@H]1NS(C)(=O)=O 156235042 ZTVPNDQLFSIARQ-NEPJUHHUSA-N 302.396 -0.140 30 20 DBED N#Cc1ccc(S(=O)(=O)N2CCOC[C@@H]2CC(=O)O)cn1 159693912 LGHHOTODJBGBOO-JTQLQIEISA-N 311.319 -0.183 30 20 DBED C#C[C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1c(C)nn(C)c1C 186004061 WEMYQPKJIZBQSP-PSASIEDQSA-N 312.395 -0.158 30 20 DBED CS(=O)(=O)NCCCNC(=O)c1cccc(C#CCO)c1 231025243 NWQHUVMKGTYFLJ-UHFFFAOYSA-N 310.375 -0.301 30 20 DBED COC[C@@H](C)N/C(N)=N/CC1CCN(S(C)(=O)=O)CC1 261708824 VBMALULRICRVKU-SNVBAGLBSA-N 306.432 -0.403 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCO[C@H](C)[C@@H]2C)C1=O 268914302 UHFWFDZLJRWNGV-VHSXEESVSA-N 309.322 -0.401 30 20 DBED CCOC(=O)C1CCN(C(=O)CN(C)C(=O)/C=N/OC)CC1 283065809 MYOHDGIVTBKNGH-OQLLNIDSSA-N 313.354 -0.121 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCSC2)C1=O 287043890 SLWDDAMQDDJTQN-MNOVXSKESA-N 311.407 -0.147 30 20 DBED C[C@@H](C/N=C(/O)CN1C(=O)CN(C)C1=O)CN1CCOCC1 329653695 DXCAEXBEUCDGEQ-NSHDSACASA-N 312.370 -0.195 30 20 DBED C[C@H](CO[C@H]1CCOC1)NS(=O)(=O)N1CCO[C@H](C#N)C1 336901064 QOPXSHFSMYAZML-GRYCIOLGSA-N 319.383 -0.761 30 20 DBED C[C@H]1CN(C(=O)C(=O)NCc2cccc(C#N)c2)C[C@@H](CO)O1 340146663 DYJDRUPRBCHBOL-FZMZJTMJSA-N 317.345 -0.217 30 20 DBED CC[C@H](C#N)NC(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1 344792437 VNPZBSHNEIPGTQ-SNVBAGLBSA-N 309.347 -0.022 30 20 DBED C=CCNC(=O)CNC(=O)CN1C(=O)COc2ccccc21 347899856 KNEYIKDJXKWRBV-UHFFFAOYSA-N 303.318 -0.170 30 20 DBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H]1CCCN(C)C1=O 354039972 VKXFTDCDRSFPBN-XQQFMLRXSA-N 323.393 -0.179 30 20 DBED CC(C)NC(=O)CN(C)CC(=O)NC[C@H]1CCCN(CC#N)C1 354086516 QOFVREVGQJHRHM-CQSZACIVSA-N 323.441 -0.205 30 20 DBED CCNC(=O)NC(=O)CN(CCC#N)CCN1CCOCC1 357628333 PGGCWDCMSWBNDT-UHFFFAOYSA-N 311.386 -0.620 30 20 DBED COC(=O)[C@H]1CCC[C@@H]1S(=O)(=O)N1CC(O)(CC#N)C1 358912065 ZMZNKFIVHSVVMM-UWVGGRQHSA-N 302.352 -0.382 30 20 DBED N#CCNC(=O)CNC(=O)N1CCN(c2ncccc2F)CC1 377061892 MANUDZKHWVOZOG-UHFFFAOYSA-N 320.328 -0.308 30 20 DBED CCN(C[C@H](C)C#N)C(=O)C1CCN(S(N)(=O)=O)CC1 408022216 WCQUDLRCXIQURH-SNVBAGLBSA-N 302.400 -0.090 30 20 DBED CN(CCCNC(=O)C1CCC1)C(=O)Cn1cnc(C#N)n1 430389319 VIORQGWXJDHZSD-UHFFFAOYSA-N 304.354 -0.085 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N(C)CCOCCO 430418924 YNDYWMCIZQCJMD-OLZOCXBDSA-N 314.382 -0.449 30 20 DBED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CC(=O)N[C@@H](C)C2)CC1 451644806 ZJOFHFCUCMLVKY-UONOGXRCSA-N 321.425 -0.501 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)CCCC(=O)NCC)CC1 491128264 ZOPOLDUAMJYUJX-UHFFFAOYSA-N 322.409 -0.814 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2cccc(O)c2)CC1 491307016 OLCCCVGTELNTFD-UHFFFAOYSA-N 301.346 -0.101 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CCOC[C@H]2C)CC1 491505091 KKHCUGAPUZJKGL-CABCVRRESA-N 321.421 -0.057 30 20 DBED N#Cc1ccc(S(=O)(=O)N[C@@]2(C(N)=O)CCOC2)s1 563417032 NJAFYMUVZHYJBI-JTQLQIEISA-N 301.349 -0.458 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N[C@@H](C(=O)O)c1ccnn1C 567886830 XMDSIWRPQMGVQY-WCBMZHEXSA-N 315.355 -0.386 30 20 DBED C[C@@H](NC(=O)CN1CC[C@@](O)(CC#N)C1)C(=O)N1CCCCC1 592146851 KXAJWAWIAICXCQ-CJNGLKHVSA-N 322.409 -0.146 30 20 DBED COC[C@@]1(C(=O)O)CCN(S(=O)(=O)N(C)C[C@H](C)C#N)C1 593271730 PGGXLWHTZCZPBT-ZYHUDNBSSA-N 319.383 -0.254 30 20 DBED C[C@H](C#N)N(C1CC1)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O 594727731 NTARAWOTTMYYBT-MRVPVSSYSA-N 312.351 -0.851 30 20 DBED C=CC(C)(C)CCNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 599957837 LRZRLYLREHTARM-VXGBXAGGSA-N 322.409 -0.525 30 20 DBED COC(=O)C[C@@H](O)CNC(=O)COc1ccc(C#N)cc1OC 600466849 AGFMPLHINUVFPO-LLVKDONJSA-N 322.317 -0.014 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)[C@H](CCC)S(N)(=O)=O)C1=O 614393921 LIKXYUZTHFOAGB-MNOVXSKESA-N 317.411 -0.311 30 20 DBED C=C(C)COCCNC(=O)[C@@H]1CCCN1C(=O)CNC(C)=O 675577916 UOKSPBMMCNVJKT-ZDUSSCGKSA-N 311.382 -0.178 30 20 DBED C#CCCS(=O)(=O)N1CCC(NS(=O)(=O)CC)CC1 710845204 PQZIWKGBYROTHU-UHFFFAOYSA-N 308.425 -0.257 30 20 DBED Cc1[nH]nc(S(=O)(=O)Nc2cnn(CC#N)c2)c1C(=O)O 738828270 WCVIHNGMKDJQIM-UHFFFAOYSA-N 310.295 -0.063 30 20 DBED Cn1cc(C[C@@H]2CC(=O)N(CN3CCOC[C@@H]3C#N)C2=O)cn1 746380993 ULIXXIACUQTJMF-OLZOCXBDSA-N 317.349 -0.480 30 20 DBED C#CCOCCC(=O)N1CCC(NS(=O)(=O)CC)CC1 755523055 DHUNIWBMAPFENF-UHFFFAOYSA-N 302.396 -0.043 30 20 DBED N#CCc1ccccc1CC(=O)NS(=O)(=O)N1CCOCC1 761108667 IUZWKGCZBWJDCC-UHFFFAOYSA-N 323.374 -0.012 30 20 DBED C#C[C@H](NC(=O)NCCS(=O)(=O)NC1CC1)[C@H]1CCCO1 776116936 GXWXOHKLMOWVBJ-NWDGAFQWSA-N 315.395 -0.452 30 20 DBED COC(=O)[C@@]1(F)CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)C1 800072869 YWJRFWBJAAYRLH-GXSJLCMTSA-N 321.330 -0.957 30 20 DBED C#C[C@H](NC(=O)C(=O)N(C)C[C@@H]1CCCN1C)[C@H]1CCCO1 817839563 ZNBJDWLIOREDOA-MELADBBJSA-N 307.394 -0.164 30 20 DBED CN1C(=O)N[C@]2(CCN(C(=O)[C@@](C)(C#N)CC(=O)O)C2)C1=O 820615930 ZXNXWEKNSOMKSQ-OLZOCXBDSA-N 308.294 -0.856 30 20 DBED C[C@H]1CC(=NC(=O)c2nc(N)nc(N3CCOCC3)n2)NO1 845900037 NHVJKLHFVFXEEL-ZETCQYMHSA-N 307.314 -0.858 30 20 DBED CCOC(=O)c1c(S(=O)(=O)O[C@H]2CNOC2)n[nH]c1C 845931004 METPGMPZIACEIE-ZETCQYMHSA-N 305.312 -0.496 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N(C)C[C@H]1COCCO1 852250081 XBULIBBMSZOMKP-NSHDSACASA-N 306.384 -0.356 30 20 DBED C#CC[C@@H](CO)NC(=O)c1cnn(CC(OCC)OCC)c1N 854541868 LJXBYYNYVLXAAN-NSHDSACASA-N 324.381 -0.022 30 20 DBED CN(C)S(=O)(=O)CCS(=O)(=O)N1CCC(CC#N)CC1 882055835 WRNSNXZZOHIATM-UHFFFAOYSA-N 323.440 -0.167 30 20 DBED C#CC1(O)CN(C(=O)NCCc2nnc3n2CCCCC3)C1 891700397 LOGKFALMKDJEIT-UHFFFAOYSA-N 303.366 -0.064 30 20 DBED C#CCCN1CCC(NC(=O)[C@@H]2CN(C(C)=O)CCO2)CC1 933352263 NOJORFRGZDBTGP-HNNXBMFYSA-N 307.394 -0.162 30 20 DBED COc1cc(C#N)ccc1C(=O)N1CCN(C(=O)CO)CC1 935110254 DSUJJPFPBKELIB-UHFFFAOYSA-N 303.318 -0.156 30 20 DBED C=CCn1cc(C(=O)N(CC)[C@H]2CCN(C(=O)C(N)=O)C2)nn1 942802371 QPDZWJVIFAEQCA-JTQLQIEISA-N 320.353 -0.988 30 20 DBED C[C@H]1CN(CC#N)CC[C@@H]1NC(=O)CN1C(=O)NC(=O)C1(C)C 943986532 GAKLWRWTPDKZSK-QWRGUYRKSA-N 321.381 -0.333 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2CCC[C@@H]2NC(=O)C(N)=O)cn1 946295930 YEQHBJMTUMVRIH-MFKMUULPSA-N 314.345 -0.437 30 20 DBED C[C@H](C#N)C(=O)N1CCC(NC(=O)c2c[nH]c(=O)cn2)CC1 948096202 HJAFXHCUMGTSGS-SECBINFHSA-N 303.322 -0.350 30 20 DBED C#CCN1CCOC2(CCN(C(=O)c3cc(=O)n(C)o3)CC2)C1 949346404 GCKZNAPHQDEBAG-UHFFFAOYSA-N 319.361 -0.082 30 20 DBED C=C[C@](C)(CC)C(=O)N1CC(N(C)C(=O)Cn2cnnn2)C1 953686185 ODOBIMCPWKVHNK-CQSZACIVSA-N 306.370 -0.055 30 20 DBED CN(C(=O)[C@H]1CCCS1(=O)=O)C1CN(C(=O)C#CC2CC2)C1 954420098 HNYRGLPLSPFJCM-CYBMUJFWSA-N 324.402 -0.354 30 20 DBED C[C@H](C(=O)N(C)C1CN(C(=O)C#CC2CC2)C1)[C@H]1CCC(=O)N1 955409549 FCDFXLNPLFNTDA-SMDDNHRTSA-N 317.389 -0.016 30 20 DBED C=CCCN1C[C@H](O)[C@H](CNC(=O)c2ccnc3[nH]nnc23)C1 958248083 FHHRLZWDXKVCEW-PWSUYJOCSA-N 316.365 -0.049 30 20 DBED C#Cc1cncc(C(=O)NC[C@H]2CN(CCOC)C[C@H]2O)c1 958389607 ISDDPSAKLNWJFO-LSDHHAIUSA-N 303.362 -0.268 30 20 DBED CC(C)CCn1cc(C(=O)NC[C@H]2CN(CC#N)C[C@@H]2O)nn1 958403140 ABWFOVPJHQDYJM-JSGCOSHPSA-N 320.397 -0.130 30 20 DBED CC#CCN1C[C@H](O)[C@H](CNC(=O)c2cc3ncccn3n2)C1 958495144 VJPDYZRXGJKUCY-OCCSQVGLSA-N 313.361 -0.225 30 20 DBED N#CCN1C[C@H](O)[C@H](CNC(=O)c2cncnc2C2CC2)C1 958634548 BMKHJNWPCXQEIV-YPMHNXCESA-N 301.350 -0.100 30 20 DBED C=C(C)CN1C[C@H]2C(NC(=O)Cn3ccc(=O)n(C)c3=O)[C@@H]2C1 960178245 XMEBGESFHKQUKH-VXGBXAGGSA-N 318.377 -0.831 30 20 DBED C=C(Cl)CN1C[C@@H]2C(NC(=O)CN3CCOCC3=O)[C@H]2C1 960301127 BCASUOYJDPPGNK-QWRGUYRKSA-N 313.785 -0.356 30 20 DBED C#CCN1C[C@H]2C(NC(=O)c3cc4c(=O)[nH]c(C)cn4n3)[C@@H]2C1 961352046 XFFBULDCWFIRAW-GHMZBOCLSA-N 311.345 -0.376 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)CC3CC3)C[C@@H]2O)[nH]1 962325387 JQZJJIGEOVEJBY-OLZOCXBDSA-N 302.334 -0.012 30 20 DBED C#CCCN1C[C@H]2C(NC(=O)Cc3nc4ncccn4n3)[C@@H]2C1 962562372 YXONNJZPOYVWTL-VXGBXAGGSA-N 310.361 -0.264 30 20 DBED CN1CCN(CC(=O)NC2CC3(CC(NCC#N)C3)C2)CC1=O 964089095 HTZUZDVXNKMMBV-UHFFFAOYSA-N 319.409 -0.699 30 20 DBED C=CCn1cc(C(=O)N2CCOC3(CN(C(C)=O)C3)C2)nn1 965383168 VXIRCFCAHBTDPO-UHFFFAOYSA-N 305.338 -0.463 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H]2CCCN(C(=O)CC(N)=O)C2)c1 975191194 ZCTHXJJGINGVPD-SNVBAGLBSA-N 317.349 -0.270 30 20 DBED C#Cc1cncc(C(=O)N2CCC[C@@H](N(C)C(=O)C(N)=O)C2)c1 984630871 DQCIUGMQCGJDFN-CYBMUJFWSA-N 314.345 -0.389 30 20 DBED C#CCN[C@H]1CCN(C(=O)c2nc(C)n(-c3nc[nH]n3)n2)[C@@H]1C 986632369 HELRRANYKNOCFZ-KOLCDFICSA-N 314.353 -0.480 30 20 DBED C[C@H]1C[C@@H](NCC#N)CN1C(=O)CN1CCCCS1(=O)=O 989193493 KBWUOFIZLZLJTI-NWDGAFQWSA-N 314.411 -0.485 30 20 DBED Cc1cc(C)n(CC(=O)N2C[C@H](NCC#N)C[C@H]2C)c(=O)n1 989615346 PMWNLYPQBWMSAS-CHWSQXEVSA-N 303.366 -0.037 30 20 DBED Cc1nn(CC(=O)N[C@]23CCC[C@H]2N(CC#N)CC3)c(=O)n1C 992446509 COIOEJOWZYEXOR-DOMZBBRYSA-N 318.381 -0.473 30 20 DBED C=CCN[C@@H]1CCC[C@@H]2CN(C(=O)CN3CCNC(=O)C3)C[C@H]21 992779907 RLLZSLTUDFWHPY-RBSFLKMASA-N 320.437 -0.179 30 20 DBED Cc1nnc(O)c(C(=O)NC2CN(C(=O)[C@@H](C)C#N)C2)c1C 997320027 ZKEDTRGQAFGFNX-ZETCQYMHSA-N 303.322 -0.101 30 20 DBED C#CCN1CCC([C@H](C)NC(=O)c2cn(C)c(=O)nc2O)CC1 997859473 WESHNHUZZJJION-NSHDSACASA-N 318.377 -0.051 30 20 DBED C#CCN1CC[C@H](n2cc(CNC(=O)[C@@H]3CCCO3)nn2)C1 999964433 YNILXHCKBZBDMW-KBPBESRZSA-N 303.366 -0.047 30 20 DBED N#Cc1cc(C(=O)N2CC(CNC(=O)[C@@H]3COC(=O)N3)C2)c[nH]1 1001669113 JZVOEANZWSQWAC-NSHDSACASA-N 317.305 -0.817 30 20 DBED O=C1N[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C#CC2CC2)CO1 1002354478 MJBXSJPDKVTEHN-LPWJVIDDSA-N 317.345 -0.244 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(CNC(=O)c2nc[nH]n2)C1 1003686358 UNDISHATDWXCPJ-NEPJUHHUSA-N 319.365 -0.026 30 20 DBED C[C@H]1CCN(C(=O)CC(N)=O)C[C@@H]1NC(=O)c1ccc(C#N)[nH]1 1004736425 PIGKZSWDSVRHAF-CABZTGNLSA-N 317.349 -0.271 30 20 DBED CC#CCN1CCC(N(C)C(=O)Cn2nc(C)n(C)c2=O)CC1 1006356515 NPVGUDNXWGYIFU-UHFFFAOYSA-N 319.409 -0.164 30 20 DBED C=C1CCC(C(=O)N[C@H](C)[C@H]2CN(C(=O)C(N)=O)CCO2)CC1 1009748463 QJTIIWYYGJMEBI-DGCLKSJQSA-N 323.393 -0.050 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2nncn2C)C1 1014769263 JUZZZKXWHNHVJM-KGLIPLIRSA-N 316.409 -0.397 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2coc(S(N)(=O)=O)c2)C1 1014984650 UUJUBERYCINIBJ-LLVKDONJSA-N 311.363 -0.246 30 20 DBED CC#CCN1CC[C@@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 1015864890 KLVRUVOBELZBSW-LLVKDONJSA-N 314.349 -0.715 30 20 DBED C#CCN1CCC[C@H](CNC(=O)[C@H]2CN(C(C)=O)CCO2)C1 1023729210 JNUTTYNQXACABJ-HUUCEWRRSA-N 307.394 -0.305 30 20 DBED Cc1cncn1CC(=O)N[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1O 1024700089 XRIKYFZYZNODCB-YUSALJHKSA-N 305.338 -0.961 30 20 DBED CN(CC#N)[C@@H]1CCCN(C(=O)c2nccnc2C(N)=O)C1 1027673732 CGCLLKTYHRWVKD-SNVBAGLBSA-N 302.338 -0.365 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN([C@@H]2CCCNC2=O)C1 1030464085 GICABSHJZDKIDR-KGLIPLIRSA-N 304.394 -0.837 30 20 DBED N#CCN1CC(CNC(=O)c2cnc3sccn3c2=O)C1 1031825919 XVVYEUWEZOZYAQ-UHFFFAOYSA-N 303.347 -0.059 30 20 DBED C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCN(C)S1(=O)=O 1032676999 MNVJWJDHUBRDAW-AVGNSLFASA-N 313.423 -0.119 30 20 DBED CC#CCN1CC[C@H](N(CC)C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 1033951955 MWEYTZAYTSGUPQ-MELADBBJSA-N 307.394 -0.035 30 20 DBED C#CCN1CCC(C(=O)NC[C@@H]2CN(C[C@H](C)O)CCO2)CC1 1035612786 BIRJGDVBDXQFIO-GOEBONIOSA-N 323.437 -0.471 30 20 DBED C=CCN1CC[C@H]2CN(C(=O)Cn3cnc(C(N)=O)n3)CC[C@H]21 1036720536 WIWCMGWKCWJTCP-NWDGAFQWSA-N 318.381 -0.514 30 20 DBED C=CCN1CC[C@@H]2CN(C(=O)Cn3nc(C)n(C)c3=O)CC[C@H]21 1036882054 GDBGVMPLZYSZDJ-ZIAGYGMSSA-N 319.409 -0.001 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CN(c3cnc(F)cn3)C[C@H]2O)c1 1040961146 CONDNKZMMKBABP-GHMZBOCLSA-N 316.296 -0.205 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)c2nccnc2N)C1 1042174533 JEDSLISVJKSERD-UHFFFAOYSA-N 305.338 -0.672 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)/C(C)=C/C)C1 1043648495 GCDKCJJEHKVLBI-GUVYXZIWSA-N 319.405 -0.260 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)c3ccncc3)C2)nn1 1043824161 QJWNBMMVHICFFO-OLZOCXBDSA-N 310.317 -0.277 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)C(=O)NCC2CC2)C1 1044459853 DVKLZSDFGZTIGR-UHFFFAOYSA-N 323.393 -0.586 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2CN(c3ncccn3)C[C@@H]2O)c1 1044510151 QAYHOVORJRWGAV-KGLIPLIRSA-N 309.329 -0.168 30 20 DBED CC#CCCCC(=O)NCC1(O)CN(C(=O)c2cn(C)cn2)C1 1044993866 FDWTZQZFNCNXBL-UHFFFAOYSA-N 318.377 -0.083 30 20 DBED Cc1cccnc1C(=O)N1CC(O)(CNC(=O)[C@H](C)C#N)C1 1045540962 NTBQFDMMPJAPNR-LLVKDONJSA-N 302.334 -0.147 30 20 DBED C=C[C@@](C)(CC)C(=O)NCC1(O)CN(C(=O)c2cnn[nH]2)C1 1045782198 CGOLGNKGOVXPFE-ZDUSSCGKSA-N 307.354 -0.290 30 20 DBED C=CCn1cc(C(=O)N[C@]2(C)CCN([C@H]3CCNC3=O)C2)nn1 1046681642 QXGOXIOYKRLTQK-SWLSCSKDSA-N 318.381 -0.453 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)OC)C1 1048432311 JEBNQWXTGXRGFD-RNJOBUHISA-N 312.366 -0.910 30 20 DBED CS(=O)(=O)CCN1C[C@H]2CN(C(=O)C#CC3CC3)C[C@H]2C1 1048810423 MGSDHBQVOQAUAD-OKILXGFUSA-N 310.419 -0.165 30 20 DBED C=CCN1CCC[C@H](NC(=O)CN2CCN(C)C(=O)C2)CC1 1052502535 LQKWUPBDNYOIAN-AWEZNQCLSA-N 308.426 -0.083 30 20 DBED CCN1C[C@@H](C(=O)N[C@@H]2COC3(C2)CN(CC#N)C3)CC1=O 1053821930 BCYZIDDOSVXCPI-RYUDHWBXSA-N 306.366 -0.662 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H](N[C@@H](C)C(N)=O)C1 1054296172 HZRAYNDTZVZULR-MJBXVCDLSA-N 306.410 -0.462 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)[C@H]1C[C@H]1C(=O)OC 1057177583 HQUYXZLQMKJGIP-QWHCGFSZSA-N 324.377 -0.464 30 20 DBED N#Cc1ccc(N2CCCN(C(=O)[C@H]3CCNC3=O)CC2)nn1 1057204653 HWXAIOVQLGWKOE-LBPRGKRZSA-N 314.349 -0.477 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)Cc1cc[nH]n1 1057254399 OELKILOOCMHSKF-UHFFFAOYSA-N 310.354 -0.908 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)Cc1nnc(C)o1 1057439717 YDSIHNHRDZIHDH-UHFFFAOYSA-N 322.365 -0.339 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)CC1(O)CCC1 1057526528 CZVYDOZTAIYZMQ-UHFFFAOYSA-N 314.382 -0.569 30 20 DBED C#CCC1(C(=O)N(CCO)CCNC(=O)C(N)=O)CCCCC1 1057916667 NHELKZIAZFLERT-UHFFFAOYSA-N 323.393 -0.617 30 20 DBED C=C[C@H](C)[C@@H](C)C(=O)N(CCO)CCNC(=O)c1cnn[nH]1 1058438104 PIACHZYARQMHNN-WDEREUQCSA-N 309.370 -0.186 30 20 DBED CN(C)CCC(=O)N(CCO)CCNC(=O)c1cc(C#N)c[nH]1 1058707811 OTGUTAMYROLBEH-UHFFFAOYSA-N 321.381 -0.611 30 20 DBED C=C[C@](C)(CC)C(=O)N(CCO)CCNC(=O)c1cnnn1C 1058728107 KHSWNQIJHXTUBM-OAHLLOKOSA-N 323.397 -0.032 30 20 DBED N#Cc1nccc(N2C[C@@H]3CC[C@H](C2)N3C(=O)c2nc[nH]n2)n1 1058769473 SJYQXGQDABBOGG-AOOOYVTPSA-N 310.321 -0.040 30 20 DBED N#Cc1ccc(NC[C@@H]2CCN(C(=O)Cn3cnnn3)C2)nn1 1060803626 PPPMYXDPKFTFCD-JTQLQIEISA-N 313.325 -0.705 30 20 DBED C=C(C)CCC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1CCC(=O)N1 1061739164 XMXBYUFLNZVDOE-STQMWFEESA-N 323.393 -0.035 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)c1cncnc1 1061846209 BVBICAWEQUAPHA-ZYHUDNBSSA-N 303.322 -0.407 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)c1ccnn1C 1061846511 OOWWXNGHZYCQDL-GHMZBOCLSA-N 305.338 -0.463 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)c1cn(C)c(O)n1 1061848713 UMLPSIPQWGDZFG-NXEZZACHSA-N 321.337 -0.757 30 20 DBED C=CCOCC(=O)N1CCCC[C@@H]1CNC(=O)C1(C(N)=O)CC1 1062069405 IDWRJIKYWBKYJC-GFCCVEGCSA-N 323.393 -0.048 30 20 DBED C[C@@H](C#N)C(=O)N1CCCC[C@@H]1CNC(=O)Cn1cncn1 1062333847 FFUADWYYNUETBI-NWDGAFQWSA-N 304.354 -0.065 30 20 DBED C=CCOCC(=O)NC1(CNC(=O)[C@H]2CC[C@@H]2C(N)=O)CCC1 1063901688 NZFRHFQXKCTGSF-RYUDHWBXSA-N 323.393 -0.144 30 20 DBED C[C@@H]1CN(C(=O)CC(N)=O)C[C@@H]1CN=c1cc[nH]cc1C#N 1065830294 ZSZGAFOUNQYPQO-PWSUYJOCSA-N 301.350 -0.243 30 20 DBED N#Cc1cncc(N2C[C@@H]3CCCN(C(=O)CC(N)=O)[C@@H]3C2)n1 1066226105 ASOHQDBQSSFUJO-CMPLNLGQSA-N 314.349 -0.349 30 20 DBED COC(=O)NCC(=O)N1CCC[C@H](NC(=O)[C@@H](C)C#N)CC1 1066474136 CJJMUKAFXSHNSR-QWRGUYRKSA-N 310.354 -0.001 30 20 DBED C[C@H](Nc1ccc(C#N)nc1)[C@@H]1CN(C(=O)C(N)=O)CCO1 1068244535 XVLVFOQHFLQLOA-CABZTGNLSA-N 303.322 -0.534 30 20 DBED C=C(C)CCC(=O)N1CC2(CN(C(=O)CNC(N)=O)CCO2)C1 1068298869 XVSFHRQWVOOOAO-UHFFFAOYSA-N 324.381 -0.549 30 20 DBED Cc1cn(C)nc1C(=O)N1C[C@H](n2ccnn2)[C@H](NCC#N)C1 1070193661 KXWMYZRDLSERRK-NEPJUHHUSA-N 314.353 -0.501 30 20 DBED Cn1cc(C(=O)N[C@@H]2CCCN(C(=O)CSCC#N)C2)nn1 1070452469 LMAUUYZDMYRBLL-SNVBAGLBSA-N 322.394 -0.207 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CCCN(C(=O)CC(=O)NC)C1 1070650777 QYWYMBCBPGPSGJ-ABAIWWIYSA-N 311.382 -0.443 30 20 DBED C#CCCCC(=O)N[C@@H]1CCCN(C(=O)[C@H](C)NC(N)=O)C1 1070657426 UAJQQSYRAGCHFW-NWDGAFQWSA-N 308.382 -0.046 30 20 DBED C#CCCN1CC[C@]2(C1)CN(C(=O)Cn1cncn1)C[C@@H](C)O2 1071237859 DPEWLDRJAHCRME-ZBFHGGJFSA-N 317.393 -0.007 30 20 DBED C[C@@H]1CN(C(=O)CN2CCOCC2)C[C@@H]1NC(=O)C#CC1CC1 1071919168 XSNFJCVTZFNJQG-HIFRSBDPSA-N 319.405 -0.305 30 20 DBED C#CCOCCC(=O)N1C[C@H](C)[C@@H](NC(=O)Cc2cnc[nH]2)C1 1072096780 DPUXDFSSHZIEDG-JSGCOSHPSA-N 318.377 -0.045 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(C)(NC(=O)C(N)=O)CC1 1073264812 ZBXCLMOYIQGHKS-MNOVXSKESA-N 309.366 -0.440 30 20 DBED N#CCN1CCCO[C@@H](CNC(=O)c2ccc(C(N)=O)o2)C1 1073686757 AJZLEBJBMYJTPJ-JTQLQIEISA-N 306.322 -0.277 30 20 DBED N#CCN1CCCO[C@H](CNC(=O)C2CCN(C(N)=O)CC2)C1 1073886298 LPIPYDLQXLMJFL-CYBMUJFWSA-N 323.397 -0.492 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)c3cnn(C)c3N)C[C@H]21 1074223167 VCTZDQCKFIFQNN-CHWSQXEVSA-N 303.366 -0.449 30 20 DBED CC#CCN1CCO[C@H]2CCN(C(=O)Cn3cncn3)C[C@@H]21 1074399941 LVAVVSGTSKKAHA-KBPBESRZSA-N 303.366 -0.397 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CCN(C(=O)c2ncccn2)CC1 1074689521 DMYKWAXPAKEVJZ-NSHDSACASA-N 317.349 -0.280 30 20 DBED C[C@@H](CCNC(=O)[C@@H]1CCC(=O)NC1)NC(=O)C#CC1CC1 1077283337 WUOBZZNAEUIMQW-WCQYABFASA-N 305.378 -0.063 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2COCCN2CC(F)F)C1 1077448807 IEKBUMYDKQKSLW-GRYCIOLGSA-N 319.352 -0.700 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)Cn2c(C)csc2=O)C1 1078164836 CEYGVGLHDSVIPW-VXGBXAGGSA-N 309.391 -0.597 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3c[nH]nc3C2)C1 1078208721 VZYXMAXPYCZDIU-KCPJHIHWSA-N 302.378 -0.301 30 20 DBED CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)C2CC(=O)NC(=O)C2)C1 1080413246 UDIWWQMATZTSQX-VIFPVBQESA-N 320.349 -0.742 30 20 DBED C=CCOCC(=O)N1CCC(CO)(NC(=O)c2ccon2)CC1 1080747702 WCFNXGZZJCGLMS-UHFFFAOYSA-N 323.349 -0.040 30 20 DBED C#CCOCCC(=O)N1CCC(CO)(NC(=O)[C@@H](C)C#N)CC1 1080982110 TYHNVHNXLORJIB-ZDUSSCGKSA-N 321.377 -0.344 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(C(=O)CCCF)C[C@H]1O 1081489513 VYWBBNMEKIRZCR-CHWSQXEVSA-N 314.357 -0.289 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@H](CNC(=O)CCc2cnn[nH]2)C1 1081779036 HVAMQDVBZQWCCQ-YPMHNXCESA-N 321.381 -0.361 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@H](CNC(=O)Cn2cncn2)C1 1081787245 CTDHIZHWRLBDKZ-NEPJUHHUSA-N 321.381 -0.574 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)C[C@@H]1CCC(=O)NC1 1083103776 GJYCUPHFBFJDNI-MELADBBJSA-N 305.378 -0.553 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)c2ccc3nn[nH]c3n2)C1 1083508287 ZHACXMYJJWYFCI-NEPJUHHUSA-N 300.322 -0.849 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)c2cnc(C)nc2OC)C1 1083510078 MOGUJBIPDPFUQV-OLZOCXBDSA-N 304.350 -0.408 30 20 DBED COc1cccc(OC)c1CC(=O)N[C@@H]1CN(CC#N)C[C@@H]1O 1083609547 CCFRKRUWEIROAR-OLZOCXBDSA-N 319.361 -0.069 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)c2nc3nccc(C)n3n2)C1 1084023547 XIQFYRLMEYWWPN-MNOVXSKESA-N 302.338 -0.606 30 20 DBED C#CCN[C@H]1CCCCCN(C(=O)CN2CCOCC2=O)C1 1088326937 BDJVNBKKRZQJCT-AWEZNQCLSA-N 307.394 -0.161 30 20 DBED C#CCN1C[C@@H]2[C@@H]3CC[C@@H](CN3C(=O)Cn3cnnc3O)[C@H]2C1 1089794898 IWBYMAXWXVXRON-CRWXNKLISA-N 315.377 -0.214 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(c2ncc(Cl)cn2)C[C@@H]1O 1091152792 IIZRYFKUBQWUNM-WCQGTBRESA-N 324.768 -0.166 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@@H]1O 1091152872 KVPDCBGYBKUWTO-LNSITVRQSA-N 314.345 -0.343 30 20 DBED COCCCC(=O)N[C@@H]1CCN(c2ccc(C#N)nn2)C[C@@H]1O 1092137921 PIYKKHSFSZHIIS-OLZOCXBDSA-N 319.365 -0.169 30 20 DBED C=CCCC(=O)N[C@H]1CCN(c2nccn3nnnc23)C[C@H]1O 1092154299 ULUUWHJUXBOPOR-WDEREUQCSA-N 317.353 -0.459 30 20 DBED CNC(=O)CC(=O)N[C@H]1[C@@H]2CN(c3nc(C)cc(C#N)n3)C[C@@H]21 1093241500 GJSFLIRRBKDIPQ-YABSGUDNSA-N 314.349 -0.656 30 20 DBED N#Cc1cnc(NCCNC(=O)c2ccoc2CC(N)=O)cn1 1094069112 GFGQMZOZEVBFMY-UHFFFAOYSA-N 314.305 -0.189 30 20 DBED Cn1cnc(C(=O)NCc2cn(C3CN(CC#N)C3)nn2)c1 1094284678 QWJDYMPAKXKYJU-UHFFFAOYSA-N 300.326 -0.678 30 20 DBED N#Cc1cccnc1NCCCNC(=O)C[C@H]1CC(=O)NC1=O 1094485196 AFNPIYLNBQHOBU-NSHDSACASA-N 315.333 -0.076 30 20 DBED C=CCN1CCN(C(=O)[C@H](CC)OC)[C@@H]2CS(=O)(=O)C[C@@H]21 1094614717 LRLNAITZAVZUSP-XQQFMLRXSA-N 316.423 -0.093 30 20 DBED N#Cc1ccc(NCCCNC(=O)[C@H]2CCCC(=O)N2)nn1 1094633901 YNFRQQYQXFTOAH-LLVKDONJSA-N 302.338 -0.065 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)c3ccnnc3)CC2=O)C1 1094790687 OQVLILWUHBBKLJ-LBPRGKRZSA-N 301.350 -0.323 30 20 DBED COCC(=O)N[C@H](C)C(=O)NCCCNc1nccnc1C#N 1094844158 FTJMFVRLZFWEKC-SNVBAGLBSA-N 320.353 -0.582 30 20 DBED CCC(=O)NCC(=O)N[C@H]1CCCN(c2cncc(C#N)n2)C1 1096148141 CNBZYBGDVBTNQL-NSHDSACASA-N 316.365 -0.041 30 20 DBED COCC(=O)NCCCN1CCN(c2nccnc2C#N)CC1 1096245535 UPRYBRWKQGYKKW-UHFFFAOYSA-N 318.381 -0.377 30 20 DBED N#Cc1nccnc1N1CC[C@@H](NC(=O)C2(C(N)=O)CC2)C1 1096477392 YFZBXICVRJZIOY-SECBINFHSA-N 300.322 -0.691 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H](CNC(=O)Cn1ncnn1)C1CC1 1096731538 PYFTVQXHRSMMCF-ZDUSSCGKSA-N 312.337 -0.631 30 20 DBED CCNC(=O)CC(=O)N[C@H]1C[C@@H](N=c2cc[nH]c(C#N)n2)C1 1097176856 YRXKNANRLVYMOQ-AOOOYVTPSA-N 302.338 -0.645 30 20 DBED C#CCOCCC(=O)N[C@H]1C[C@@H](Nc2nccn3nnnc23)C1 1097218841 YNGGPAYVHWRLLN-PHIMTYICSA-N 315.337 -0.382 30 20 DBED C[C@H](CNC(=O)Cn1ccccc1=O)N=c1cc[nH]c(C#N)n1 1097840364 CBHXCEJYGWGFSS-LLVKDONJSA-N 312.333 -0.451 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CCS(=O)(=O)C1)Nc1cnc(C#N)cn1 1098136481 HRLRAEBQAOWWJJ-VHSXEESVSA-N 323.378 -0.300 30 20 DBED COCC(=O)NCCC(=O)NC[C@H](C)Nc1ccc(C#N)nn1 1098329652 KQKGGUSSIBGWJZ-JTQLQIEISA-N 320.353 -0.582 30 20 DBED C[C@H](CCNC(=O)Cn1cncn1)Nc1ccc(C#N)nn1 1099147242 MXEWWNCVXJEGMU-SNVBAGLBSA-N 300.326 -0.053 30 20 DBED C[C@H](NC(N)=O)C(=O)N[C@H]1CN(CC#N)CC2(CCOCC2)C1 1099577203 USQSKXDPDJIIIT-NWDGAFQWSA-N 323.397 -0.446 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2cc(C)[nH]n2)[C@H](O)C1 1099709009 AOWSYMACAIJSIG-GXTWGEPZSA-N 306.366 -0.467 30 20 DBED C#CCC1(C(=O)N[C@@H]2CCN(CCO)C[C@H]2O)CCOCC1 1099874671 OSIKXHOWNNXMBB-ZIAGYGMSSA-N 310.394 -0.650 30 20 DBED COC(=O)NCC(=O)NCCN(C)c1nc(C)cc(C#N)n1 1099945674 AUMAROXKISDMDV-UHFFFAOYSA-N 306.326 -0.435 30 20 DBED COCC#CCN1CC[C@H](NC(=O)Cc2cnc[nH]2)[C@@H](O)C1 1100017992 OCUWPIGSBKDLLS-KBPBESRZSA-N 306.366 -0.847 30 20 DBED CN(CCNC(=O)C[C@H]1CCC(=O)N1C)c1ccnc(C#N)n1 1100254190 KXMLSOMNUQFJTR-LLVKDONJSA-N 316.365 -0.088 30 20 DBED CN(CCNC(=O)C[C@H]1CCC(=O)N1C)c1nccnc1C#N 1100254326 QMSJGHBHALHLPC-LLVKDONJSA-N 316.365 -0.088 30 20 DBED CCO[C@@H](C(=O)NCC1CC(NCC(=O)NCC#N)C1)C1CC1 1100338140 JXCMRJUGOWZHKI-ABIUDSBCSA-N 322.409 -0.074 30 20 DBED C[C@@]12CN(CC(=O)NCC#N)C[C@@H]1CN(C(=O)c1ccon1)C2 1101148528 DQHFBCWJFHJNBG-ABAIWWIYSA-N 317.349 -0.292 30 20 DBED CCN1CCO[C@H](C(=O)N(C)CCNc2ccc(C#N)nn2)C1 1101637763 DIXXZXYLTLBYRI-ZDUSSCGKSA-N 318.381 -0.061 30 20 DBED CC[C@@]1(C(=O)N(C)CCN=c2cc[nH]c(C#N)n2)CCNC1=O 1102025538 VUGGFKWWZFGNAB-OAHLLOKOSA-N 316.365 -0.443 30 20 DBED C#CCCN1C[C@@H](C)[C@H](CNC(=O)CN2C(=O)CN(C)C2=O)C1 1102560629 DWBTZMDGSZPMJV-CHWSQXEVSA-N 320.393 -0.412 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)[C@@H]1CCCNC1=O 1104107326 VSXYVCATJXUYEM-WDEREUQCSA-N 316.365 -0.539 30 20 DBED C[C@H]1CN(C(=O)CNC(N)=O)CC[C@H]1N=c1cc[nH]c(C#N)n1 1105029682 FVKLYUYCPKWABP-VHSXEESVSA-N 317.353 -0.913 30 20 DBED CO[C@H](C(=O)N1CC(n2cc(CNCC#N)nn2)C1)C1CC1 1105223800 JNQWDBQYWMWYGL-ZDUSSCGKSA-N 304.354 -0.300 30 20 DBED C=CCNCc1cn(C2CN(C(=O)[C@H]3COC(=O)N3)C2)nn1 1105225547 WKZXYUNHIMCCBW-LLVKDONJSA-N 306.326 -0.955 30 20 DBED C[C@@H]1CO[C@@H](C(=O)N2CC(n3cc(CNCC#N)nn3)C2)C1 1105285426 NFZFHGOCQXYVDW-GXFFZTMASA-N 304.354 -0.300 30 20 DBED Cc1cc(C#N)nc(N(C)CCN(C)C(=O)c2ncn(C)n2)n1 1105385176 WABXYXXBWAWXEM-UHFFFAOYSA-N 314.353 -0.006 30 20 DBED N#Cc1nc(=NC[C@H](O)CNC(=O)C[C@H]2CCCCO2)cc[nH]1 1105789189 UEKNPIOGNLBHQJ-NWDGAFQWSA-N 319.365 -0.382 30 20 DBED CC[C@@H](C(=O)NC[C@@H](O)CNc1ccc(C#N)nn1)N(C)C 1105926420 UVFVCHXIULFDTF-RYUDHWBXSA-N 306.370 -0.423 30 20 DBED CNC(=O)NCC(=O)NC[C@H](O)CNc1ccc(C#N)c(C)n1 1106147840 ZABAYYNKSIZURH-LLVKDONJSA-N 320.353 -0.920 30 20 DBED N#Cc1nccnc1NC/C=C\CNC(=O)[C@@H]1CCNC1=O 1107452719 UADYBIJMQBKATI-SYBPUXJVSA-N 300.322 -0.431 30 20 DBED N#Cc1cncc(NC/C=C/CNC(=O)[C@H]2CCC(=O)NC2)n1 1107592394 DESARLJLMHMUQN-GXFZAYBSSA-N 314.349 -0.041 30 20 DBED CCN1C[C@@H](C(=O)N[C@H](C)CN=c2cc[nH]c(C#N)n2)CC1=O 1108177977 MCYMIANOUNCEAV-MNOVXSKESA-N 316.365 -0.445 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CN=c1cc(C)[nH]cc1C#N 1108322183 JWGHAQBIOUUBCC-LBPRGKRZSA-N 313.361 -0.260 30 20 DBED C=CCCC(=O)N[C@@H]1CC(=O)N(C2CN([C@@H](CC)C(N)=O)C2)C1 1108520732 ZJHDHXQWNKQSKS-YPMHNXCESA-N 322.409 -0.382 30 20 DBED N#Cc1nccnc1NC1(CNC(=O)[C@H]2CC[C@H]2C(N)=O)CC1 1110299817 HPMKZNZSGBOXKX-ZJUUUORDSA-N 314.349 -0.080 30 20 DBED C[C@]1(NC(=O)Cc2nc[nH]n2)CCN(c2cncc(C#N)n2)C1 1110792230 ODFRHTXXXNXOHA-AWEZNQCLSA-N 312.337 -0.206 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1n[nH]cc1F 1110989692 SHEQYPGMGUVIMD-JLLWLGSASA-N 319.340 -0.367 30 20 DBED N#Cc1cnc(N2CC[C@@](O)(CNC(=O)c3cocn3)C2)cn1 1111040016 URQQFSWMUDZCBR-CQSZACIVSA-N 314.305 -0.293 30 20 DBED Cc1n[nH]cc1C(=O)N(CCO)CCN=c1cc[nH]c(C#N)n1 1111533362 BLTCVYUZBGBIDT-UHFFFAOYSA-N 315.337 -0.652 30 20 DBED C[C@@H](CC(N)=O)C(=O)N(CCO)CCNc1cnc(C#N)cn1 1111535813 YKTIHGTZUQRMQV-JTQLQIEISA-N 320.353 -0.907 30 20 DBED CN(CCCN(C)c1ccc(C#N)nn1)C(=O)[C@H]1COC(=O)N1 1112075152 NGRIOHSWQYNCTN-LLVKDONJSA-N 318.337 -0.259 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)CNC(=O)CCC)CC1 1112661543 BWZVXLDDAGFVHU-CYBMUJFWSA-N 322.409 -0.815 30 20 DBED CCS(=O)(=O)NCCN1CCN(C(=O)[C@H](C)C#N)CC1 1112711194 UDCMJSYYAIYRNM-LLVKDONJSA-N 302.400 -0.770 30 20 DBED C[C@H](NC(=O)Cn1cnnc1O)[C@@H](C)Nc1ccc(C#N)nn1 1112977496 BFHIBIICACRCBM-BDAKNGLRSA-N 316.325 -0.349 30 20 DBED COCC#CCN1CCN(C(=O)[C@H](OC)c2cnn(C)c2)CC1 1113156673 RCFGTXUWKIHZCO-OAHLLOKOSA-N 320.393 -0.098 30 20 DBED C[C@@H](NC(=O)c1nnn(C)n1)[C@@H](C)Nc1cncc(C#N)n1 1113259760 WBNHOTYIIGFAKV-HTQZYQBOSA-N 301.314 -0.509 30 20 DBED N#CCSCC(=O)N[C@H]1[C@@H]2CN([C@@H]3CCC(=O)NC3=O)C[C@@H]21 1113897371 UECARUUYVOUWNA-COMAGPEQSA-N 322.390 -0.905 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CCC(=O)NC1)N(C)c1cnc(C#N)cn1 1113961618 RTYZAIXIQZLTAF-WDEREUQCSA-N 316.365 -0.185 30 20 DBED N#CCNC(=O)CN1C[C@@H]2C(NC(=O)C3CC(F)(F)C3)[C@H]2C1 1114120342 PLSULVRCZWNHOZ-UWVGGRQHSA-N 312.320 -0.282 30 20 DBED C=CC(C)(C)C(=O)NC1[C@@H]2CN(Cc3nc(=O)n(C)[nH]3)C[C@@H]12 1114671800 JXBBSJWGTDCIKV-NXEZZACHSA-N 305.382 -0.133 30 20 DBED CS(=O)(=O)CC(=O)N[C@H]1C[C@H](CN=c2cc[nH]c(C#N)n2)C1 1114740527 RXKPZRCSVYXROU-MGCOHNPYSA-N 323.378 -0.879 30 20 DBED C[C@H](NC(N)=O)C(=O)N[C@H]1C[C@H](CNc2ccc(C#N)nn2)C1 1114768413 QEBFNEKQRQGQMV-QXEWZRGKSA-N 317.353 -0.288 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@H]1[C@@H]2CN(Cc3ncnn3C)C[C@@H]21 1115333173 UFWWKTURCWDUNZ-CIQGVGRVSA-N 305.382 -0.047 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)Cn3ccnc3)[C@@H]2C1 1115341891 MGYFBZVPPHBFDG-YNEHKIRRSA-N 315.377 -0.933 30 20 DBED CCn1ncc(C(=O)N(C)C[C@@H](C)N=c2cc[nH]c(C#N)n2)n1 1115704267 IZNJIELQTZVBPY-SNVBAGLBSA-N 314.353 -0.046 30 20 DBED C[C@H](CN(C)C(=O)[C@H]1CCN(C)C1)N=c1cc[nH]c(C#N)n1 1115739552 HRCOMTFOVSOLSH-NEPJUHHUSA-N 302.382 -0.019 30 20 DBED COc1ccc(NC(=O)C(=O)NCC(=O)NCC#N)c(C)n1 1117461602 XHNOKYHFBKAIHD-UHFFFAOYSA-N 305.294 -0.907 30 20 DBED C[C@]1(CO)CCCN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)C1 1118185344 ZIQUHTIWQGGTAC-LSDHHAIUSA-N 309.366 -0.516 30 20 DBED C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)[C@@H]1CCO 1118472665 SGWSBTJFLFUVLA-XJKCOSOUSA-N 323.393 -0.127 30 20 DBED C#CCOCCn1nnnc1N1CCCN(C(=O)CC)CC1 1120251536 ITAIPQMCJJCJFQ-UHFFFAOYSA-N 306.370 -0.228 30 20 DBED C#CCNC(=O)CN1CCCN(c2nccnc2CN)CC1 1120897096 ZPUSJGYHGIBAGW-UHFFFAOYSA-N 302.382 -0.803 30 20 DBED Cc1cc(=N[C@@H](CO)CNC(=O)[C@@H]2CCCN2C)c(C#N)c[nH]1 1121243412 VPESPBGKUPWPAG-HIFRSBDPSA-N 317.393 -0.333 30 20 DBED CCCCOCC(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1 1121256340 AMRRBPLBSMXPIR-NSHDSACASA-N 307.354 -0.524 30 20 DBED CO[C@H](C)CCC(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1 1121473407 XTTQHFPJURVHSQ-MNOVXSKESA-N 307.354 -0.526 30 20 DBED CC[C@H](C(=O)NC[C@@H](CO)N=c1cc(C)[nH]cc1C#N)N(C)C 1121812430 NGNAUQZQKKAYAL-DZGCQCFKSA-N 319.409 -0.087 30 20 DBED CN(C)[C@@H](C(=O)NC[C@H](CO)Nc1cnc(C#N)cn1)C1CC1 1122154537 YZWIPIBZUXOXJB-TZMCWYRMSA-N 318.381 -0.423 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)CN2CCCC2=O)C1=O 1123341971 WQPSLFZYHZSBFM-GFCCVEGCSA-N 308.382 -0.899 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)[C@@H](C)SC 1123956318 AUSOHDRDCFBTHM-VHSXEESVSA-N 316.427 -0.156 30 20 DBED CCCN(C)CC(=O)N(C)C[C@H](O)CN=c1cc[nH]c(C#N)n1 1124442478 SHOTYYHKXBHFKT-GFCCVEGCSA-N 320.397 -0.657 30 20 DBED CN(C[C@@H](O)CN(C)c1cncc(C#N)n1)C(=O)c1cn[nH]c1 1125030084 OWBIRKIGCMMCCI-LBPRGKRZSA-N 315.337 -0.359 30 20 DBED COCCN(CCNC(=O)c1cnon1)c1nccnc1C#N 1126403577 ILYGZDBRUYHEPP-UHFFFAOYSA-N 317.309 -0.386 30 20 DBED CN(CCOCCNc1nccnc1C#N)C(=O)CC(N)=O 1127247933 SFPXCRGEOZVASE-UHFFFAOYSA-N 306.326 -0.889 30 20 DBED C#CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)C[C@@](C)(O)C=C)C1 1128961761 IQVXAFLMXRGQNO-YCPHGPKFSA-N 317.393 -0.030 30 20 DBED C=CCCCC(=O)N[C@@H]1CN(CC(N)=O)C[C@@H]1n1ccnn1 1129214776 LYBIQEBZDMXBPJ-NEPJUHHUSA-N 306.370 -0.539 30 20 DBED C=CCCC(=O)N1C[C@H](n2ccnn2)[C@H](N[C@@H](CC)C(N)=O)C1 1129671383 PLENQWJEAGFKPE-XQQFMLRXSA-N 320.397 -0.150 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCN[C@@H](C)C(=O)NCCC 1129791158 VSCZLFAFCNMIGX-KBPBESRZSA-N 308.426 -0.296 30 20 DBED C=CCCN[C@@H]1CN(C(=O)[C@H]2CCNC2=O)C[C@@H]1n1ccnn1 1129954579 UYLKRDWRZBFUGT-XQQFMLRXSA-N 318.381 -0.668 30 20 DBED C#CCNC(=O)CNCCNC(=O)Cc1noc2ccccc12 1131005392 HKIURFQROSAWFE-UHFFFAOYSA-N 314.345 -0.175 30 20 DBED C=C(C)CN1C[C@H]2C[C@@H]3CN(C(=O)CNC(=O)NC)C[C@@]3(C1)O2 1131237851 NXDVLMJZEQEWLI-XJKCOSOUSA-N 322.409 -0.207 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@H]1Cc2ccc(F)cc21 1132915955 HECRVRYPMRYEKU-AWEZNQCLSA-N 303.337 -0.079 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)c2nnc(O)nc2O)CC[C@@H]1C 1132953445 FPEWSUBOHIZFEF-WDEREUQCSA-N 319.365 -0.006 30 20 DBED C[C@@H]1CCN(C(=O)CS(=O)(=O)N(C)C)C[C@@H]1CNCC#N 1133274208 DISYKVJRRCCAOC-NEPJUHHUSA-N 316.427 -0.524 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@H](C)Oc1cccnc1 1133629349 ZRZOXPHFGKWLJQ-LBPRGKRZSA-N 306.366 -0.143 30 20 DBED Cc1cc(C(=O)N[C@@H](C)C[C@@H](C)NCC(=O)NCC#N)ncn1 1134095732 XWGKUEIJQYONJN-PWSUYJOCSA-N 318.381 -0.089 30 20 DBED C=CCOCCNCCNC(=O)c1c(C)c[nH]c1CC(N)=O 1134124395 WYFPQXCVFURAQP-UHFFFAOYSA-N 308.382 -0.127 30 20 DBED C[C@@H](C[C@@H](C)NCC(=O)NCC#N)NC(=O)Cc1ccn(C)n1 1134338555 XMUHEXHFCFTIRT-NEPJUHHUSA-N 320.397 -0.525 30 20 DBED C=C(C)CCN[C@H](C)C[C@@H](C)NC(=O)CNS(=O)(=O)NC 1135119949 QWLUPIRSLMGMKO-VXGBXAGGSA-N 320.459 -0.121 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)Cc1cnoc1)NCC(=O)NCC#N 1135261739 FAAJAYVLDLVSLF-WDEREUQCSA-N 307.354 -0.270 30 20 DBED C#CCCN[C@@H](C)C[C@@H](C)NC(=O)CN1CC(=O)N(C)C1=O 1135920518 VTAUZOUSZJQVMF-NWDGAFQWSA-N 308.382 -0.223 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)CCc1cnccn1 1146737569 YMOVJVXWUCVXMM-LBPRGKRZSA-N 305.382 -0.194 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CN(Cc2cnnn2C)CCCO1 1149406609 JMAQOXVBLIYUMY-DGCLKSJQSA-N 306.370 -0.318 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@H]1CN(CC(=O)NC)CCCO1 1149623930 PIEBETLFBRAGNL-IUODEOHRSA-N 313.398 -0.733 30 20 DBED CCNC(=O)CN1CCCO[C@@H](CNC(=O)C#CC(C)C)C1 1149674275 VKBVBGJDRSPOHU-AWEZNQCLSA-N 309.410 -0.011 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@@H](NC(C)=O)[C@@H](C)CC 1151876512 IBVMUULIIFRKLP-FZMZJTMJSA-N 312.414 -0.455 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H](C)N(CC)C[C@H]1CCOC1 1152861837 WKMVCLIYIIKRQF-ZIAGYGMSSA-N 309.410 -0.011 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H](C)N(CC)Cc1nc(O)n[nH]1 1153331575 HBXKAVQKQDKTEN-MNOVXSKESA-N 309.370 -0.125 30 20 DBED CC#CCN(CC)[C@H](C)CNC(=O)CCn1ncn(C)c1=O 1154448074 GCFWVBDWKOFWEZ-CYBMUJFWSA-N 307.398 -0.178 30 20 DBED C#CCN1CCC(CNC(=O)[C@@H]2CN(C)C(=O)N2)(COC)CC1 1162392850 OQCKXAJMYOYQNJ-ZDUSSCGKSA-N 322.409 -0.512 30 20 DBED C#CCCNCCCC[C@@H](C)NC(=O)CN1CCNC(=O)C1 1174658876 IYAMRFJXNBZGJX-CQSZACIVSA-N 308.426 -0.294 30 20 DBED C=CCCOCC(=O)NCCCNCCN1C(=O)CNC1=O 1177260867 YGZNAZFAKDLWQL-UHFFFAOYSA-N 312.370 -0.773 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)Cn2cc(C)cn2)[C@H]1C 1178225250 IVTWUMFHMWKDSN-KBPBESRZSA-N 317.393 -0.480 30 20 DBED C=CCNC[C@]1(C)CN(C(=O)C[C@H](NC(C)=O)C(N)=O)C[C@H]1C 1182823249 UEBXRYSITQMCPK-PVXIVEMSSA-N 324.425 -0.373 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)CN2CCC[C@H]2C)C1 1185650566 JDMUZXGHOCPZHD-ZIAGYGMSSA-N 306.410 -0.589 30 20 DBED C=CCN1C[C@@H]2CCN(C(=O)CNS(=O)(=O)CC)[C@@H]2C1 1188102227 FQUKHCXIPOQRDA-NWDGAFQWSA-N 301.412 -0.356 30 20 DBED CN(CC(=O)NCC#N)[C@H]1CCN(C(=O)c2cc[n+]([O-])cc2)C1 1188727529 WZQPPXDRESAEEF-ZDUSSCGKSA-N 317.349 -0.894 30 20 DBED CCCNC(=O)NC(=O)CN(C)[C@H]1CCN(C(=O)[C@@H](C)C#N)C1 1189389358 JIOVKSZKYNNSRP-RYUDHWBXSA-N 323.397 -0.085 30 20 DBED CC#CCN(C)[C@@H]1CCN(C(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 1191490930 RAVHLAGTDYGUJM-OCCSQVGLSA-N 315.377 -0.079 30 20 DBED Cc1cnn(C)c1C(=O)N1CC[C@H](N(C)CC(=O)NCC#N)C1 1191788760 ACCYKOGMCDTHKZ-LBPRGKRZSA-N 318.381 -0.485 30 20 DBED COc1nscc1CN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)C#N)C1 1191873682 ZKUWFVRSGLDTHE-JMJZKYOTSA-N 310.379 -0.027 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)c2c(C)ncnc2O)C1 1195525719 PVBNKLMSHDERSU-VXGBXAGGSA-N 322.365 -0.532 30 20 DBED C#CCNC[C@@H]1CN(C(=O)[C@]2(CC)CCNC2=O)CCCO1 1200721059 FVOUXBUFAQOYGJ-CZUORRHYSA-N 307.394 -0.257 30 20 DBED CN1C[C@H](C(=O)N2CCCO[C@H](CNCC#N)C2)CCC1=O 1202154290 MMYLBNVTAOJHMX-CHWSQXEVSA-N 308.382 -0.415 30 20 DBED CCOCCNC(=O)CN1C[C@@H](NC(=O)[C@@H](C)C#N)[C@H](C)C1 1206641346 RRBAQUZCHLRXFB-YNEHKIRRSA-N 310.398 -0.265 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(CC(=O)NC(C)C)C[C@H]1C 1206887492 NMEQESTXCSLCQZ-CHWSQXEVSA-N 322.409 -0.913 30 20 DBED CC(=O)N1CCOC[C@H]1C(=O)N1CCC(CNCC#N)CC1 1206937885 XAVMSJCCTJVQAW-AWEZNQCLSA-N 308.382 -0.415 30 20 DBED C=C(C)CN1C[C@@H](NC(=O)CCS(=O)(=O)NC)[C@H](C)C1 1206965200 SBLDIPHAVJBABP-VXGBXAGGSA-N 303.428 -0.062 30 20 DBED Cn1cncc1C(=O)N1CCC[C@H](NCC(=O)NCC#N)C1 1208505279 SZACMXXLIPQADU-NSHDSACASA-N 304.354 -0.746 30 20 DBED C=CCOCCN[C@@H]1CCCN(C(=O)[C@@H]2CN(C)C(=O)N2)C1 1208961164 IGPUTUFAYRFBIZ-OLZOCXBDSA-N 310.398 -0.207 30 20 DBED COCC#CCN1C[C@@H](NC(=O)C(=O)N2CC[C@H](C)C2)[C@H](C)C1 1210159842 YSYVHVVKMBMQFF-RRFJBIMHSA-N 321.421 -0.059 30 20 DBED C=C(C)CN1C[C@@H](NC(=O)CS(=O)(=O)N(C)C)[C@H](C)C1 1210699886 DZIQCZRKIUVIPH-VXGBXAGGSA-N 303.428 -0.110 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)C2CC=CC2)[C@H](OC)C1 1212064540 ZJTLVXXDISEVIJ-NWANDNLSSA-N 319.405 -0.094 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)c2cncn2C)[C@H](OC)C1 1213129180 NUAHXHLTEQFXJW-DGCLKSJQSA-N 321.381 -0.849 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)CCCC#CC)[C@H](OC)C1 1213303612 RVRRWMRIOPXVGB-HUUCEWRRSA-N 319.405 -0.255 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)[C@@H]2CC23CC3)[C@H](OC)C1 1213487925 NXQHVSRMJDNRLS-YNEHKIRRSA-N 307.394 -0.096 30 20 DBED Cc1csc(=O)n1CCC(=O)N[C@@H]1CN(CC#N)C[C@@H]1O 1219806720 KVHIIAXSPKHJGT-MNOVXSKESA-N 310.379 -0.707 30 20 DBED Cc1n[nH]cc1C(=O)NCC1CCN(CC(=O)NCC#N)CC1 1223994658 MZMQFCIHFKRZDM-UHFFFAOYSA-N 318.381 -0.200 30 20 DBED Cc1cnc(C(=O)NC2CCN(CC(=O)NCC#N)CC2)cn1 1225874359 ABTDEIHAYGMJNG-UHFFFAOYSA-N 316.365 -0.381 30 20 DBED Cc1cnn(C)c1C(=O)NC1CCN(CC(=O)NCC#N)CC1 1228712306 ORHQJAAOXUZPKB-UHFFFAOYSA-N 318.381 -0.438 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)Cc2cncn2C)CC1 1230034399 KMKFHQOGPYDXDA-UHFFFAOYSA-N 317.393 -0.707 30 20 DBED C#CCN1CCS(=O)(=O)[C@H](CCNC(=O)c2cnccn2)C1 1230413765 XAFGKXTXGYXULT-GFCCVEGCSA-N 322.390 -0.671 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@@H]1CN(C)C(=O)c1ccon1 1230888488 BNPPOMNLRPWREW-NWDGAFQWSA-N 304.350 -0.041 30 20 DBED C=C[C@@](C)(O)CC(=O)N(C)C[C@@H]1CCN1Cc1nnnn1C 1233976600 GZHAWDBZBVYYBN-SMDDNHRTSA-N 308.386 -0.430 30 20 DBED CN(C[C@@H]1CCN1CC(=O)NCC#N)C(=O)c1ccsn1 1235687542 YAQGHONMBLZQJM-JTQLQIEISA-N 307.379 -0.071 30 20 DBED Cc1ncc(CO)c(C=Nn2cnc3c(cnn3C)c2=O)c1O 1248574653 OAERPIXFXKKMEH-UHFFFAOYSA-N 314.305 -0.086 30 20 DBED NC(=O)[C@H]1CN(c2nnnn2CC#Cc2ccccc2)CCO1 1262430694 VPBUPZFFVHRYLU-CYBMUJFWSA-N 312.333 -0.585 30 20 DBED CC[C@H](CC#N)NC(=O)C(=O)Nc1cnn(CC(=O)N(C)C)c1 1320887847 ICPHTQZWXMOOKS-SNVBAGLBSA-N 320.353 -0.282 30 20 DBED C#CCOCCNC(=O)C(=O)NCCCn1nc(C)cc1C 1322865147 PHYNHDZGORONJT-UHFFFAOYSA-N 306.366 -0.228 30 20 DBED COCCOC[C@@H](C)NC(=O)C(=O)N1CC[C@](F)(C#N)C1 1323163900 KPRFCFZPIAQYSV-MFKMUULPSA-N 301.318 -0.382 30 20 DBED Cn1cnnc1COCC(=O)OCC(=O)N[C@](C)(C#N)C1CC1 1324278802 OVDMAXULTGIIJL-CQSZACIVSA-N 321.337 -0.317 30 20 DBED N#C[C@H]1CC[C@@H](NC(=O)C(=O)NCCN2CCSCC2)C1 1326259807 JWAKUOJDCFZSHC-NWDGAFQWSA-N 310.423 -0.040 30 20 DBED O=C1CC[C@@H](C(=O)NCC#CCNC(=O)[C@@H]2CCC(=O)C2)C1 1327168236 OLROMHUPZWBDJS-VXGBXAGGSA-N 304.346 -0.039 30 20 DBED N#CC1CCN(C(=O)C(=O)NCc2nnnn2CC2CC2)CC1 1327437930 QODJTGWUTIJXOJ-UHFFFAOYSA-N 317.353 -0.539 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N1CCC(NC(N)=O)CC1 1327799795 SSQRTUXZASUGLN-UHFFFAOYSA-N 324.381 -0.856 30 20 DBED C=CCCSCCNC(=O)C(=O)N1CC[C@H](NC(N)=O)C1 1328236542 SXNAZTNAXLJLFQ-JTQLQIEISA-N 314.411 -0.319 30 20 DBED COCCCN(CCOC)C(=O)C(=O)Nc1cnn(CC#N)c1 1334473971 CUQLDZNJQJDIJT-UHFFFAOYSA-N 323.353 -0.143 30 20 DBED C#C[C@@H](CC)NC(=O)C(=O)Nc1ncn(CC(=O)OCC)n1 1345678070 OUHBSPGZNORMLR-VIFPVBQESA-N 307.310 -0.692 30 20 DBED CC(C)N1C[C@H](NC(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)CC1=O 1349026620 VHTWTYLDSMHJMM-QJPTWQEYSA-N 306.366 -0.080 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CCOC[C@H](C)C2)nn1 1351219796 BPDVASWKMZGZEX-LLVKDONJSA-N 307.354 -0.425 30 20 DBED C=CCCOCCNC(=O)C(=O)N[C@@H]1COCC[C@H]1OC 1354726433 QWLMWXWIDKNNCA-VXGBXAGGSA-N 300.355 -0.385 30 20 DBED N#Cc1cc(C(=O)NCC(=O)NCCN2CCOCC2)cs1 1362061425 UTPPTYCIOMGLDD-UHFFFAOYSA-N 322.390 -0.202 30 20 DBED CN(C[C@@H]1CCC[C@@H]1O)C(=O)Cn1cc(C#N)c(O)nc1=O 1362299472 KDKGWWWEUNMOPF-ONGXEEELSA-N 306.322 -0.560 30 20 DBED CNC(=O)NCC(=O)N[C@@H](CNC(=O)[C@@H](C)C#N)C(C)(C)C 1371120912 XOFVSHDMPTUORV-UWVGGRQHSA-N 311.386 -0.278 30 20 DBED C=C(Cl)CNC[C@@H](O)CNC(=O)c1cc(OC)ncn1 1379204772 CIJMCWGQRTXNHL-SECBINFHSA-N 300.746 -0.082 30 20 DBED CNC(=O)NCCC(=O)NC[C@H]1C[C@@H](NC(=O)[C@H](C)C#N)C1 1396523705 QVODMOUOZFFCHW-MXWKQRLJSA-N 309.370 -0.524 30 20 DBED CCCN(C(=O)CNC(=O)NC)[C@H]1CCN(C(=O)[C@@H](C)C#N)C1 1398430078 POGQOMYRCOGOLH-RYUDHWBXSA-N 323.397 -0.085 30 20 DBED N#Cc1ccc(CNC[C@H](O)CNC(=O)[C@H]2COC(=O)N2)s1 1401511228 RFKXTSWFOLNRNH-GZMMTYOYSA-N 324.362 -0.705 30 20 DBED CCOCC(=O)NCc1cc(O)nc(CNC(=O)[C@H](C)C#N)n1 1406688432 QCXCDZFYEHLRLR-SECBINFHSA-N 321.337 -0.389 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@@H](CNC(=O)CCS(C)(=O)=O)C1 1414196434 BEFUPEMOQZKIQS-GARJFASQSA-N 315.395 -0.408 30 20 DBED CNC(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)CCC#N)C1 1424666817 NQXJWXMEFUVQBQ-SNVBAGLBSA-N 303.388 -0.530 30 20 DBED COCCN(CCNC(=O)[C@H](C)C#N)C(=O)Cc1nc[nH]n1 1426069884 DWHHFRFNILVYFG-SNVBAGLBSA-N 308.342 -0.902 30 20 DBED CC(C)C[C@@H](CNC(=O)[C@H](C)C#N)NC(=O)CCn1cnnn1 1431114104 KBKHNOHWWVPGMI-NEPJUHHUSA-N 321.385 -0.130 30 20 DBED COc1coc(C(=O)NCCN(C)C(=O)[C@H](C)C#N)cc1=O 1431377523 RDJUQWUWQQYPLD-SECBINFHSA-N 307.306 -0.004 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1ccnc2ccnn12 1457993974 HRSWHBQNNWBLIE-VHSXEESVSA-N 316.321 -0.904 30 20 DBED C=CCn1cc(CNC(=O)C2=NOC3(CCNCC3)C2)nn1 1521735423 LZRLOSSEZRVGAW-UHFFFAOYSA-N 304.354 -0.021 30 20 DBED CN(C(=O)C1CC2(CNC[C@H]2C#N)C1)[C@H]1CCS(=O)(=O)C1 1578370136 CKBBVMJKAYJPRS-BEVNXUHPSA-N 311.407 -0.229 30 20 DBED C#CC[C@H](NC(=O)c1csc(S(N)(=O)=O)c1)C(=O)O 1588422618 ZYADDSODOHQFHQ-ZETCQYMHSA-N 302.333 -0.398 30 20 DBED C=CC[C@H](OC(=O)CN1CCC[C@@H](C(=O)O)C1=O)C(=O)OC 1588753092 AABVXRJRZNPCKI-ZJUUUORDSA-N 313.306 -0.030 30 20 DBED C[C@@H](C#N)CN(C)C(=O)C(=O)N1CCN(C(C)(C)C(=O)O)CC1 1589329451 NBFWRWUJHPRMEN-NSHDSACASA-N 324.381 -0.388 30 20 DBED N#CCC(=O)N1CCN(Cc2cccc(-c3nn[nH]n3)n2)CC1 1592671440 GVIYXFHKONBQSW-UHFFFAOYSA-N 312.337 -0.180 30 20 DBED N#Cc1nc(NC[C@@H]2CSCCN2)cnc1-c1nn[nH]n1 1592707749 ABCPNEMNSBRSJK-SSDOTTSWSA-N 303.355 -0.355 30 20 DBED N#Cc1cccc(S(=O)(=O)CCn2nnc(CC(=O)O)n2)c1 1601121373 LSQIXEVFMGOGNU-UHFFFAOYSA-N 321.318 -0.354 30 20 DBED C=CCOC[C@@H](NS(=O)(=O)c1ccc(C#N)nc1)C(=O)O 1602915717 SQUSQPLOVOBAIH-LLVKDONJSA-N 311.319 -0.113 30 20 DBED C[C@@H](C(=O)N1CCSC[C@@H]1C#N)n1cnc(-c2nn[nH]n2)n1 1609068624 KRBHADRXGZVTAR-YUMQZZPRSA-N 319.354 -0.513 30 20 DBED C[C@](O)(CNC(=O)C(=O)Nc1ccc(F)c(C#N)c1)C(=O)O 1609942978 AHRIMTHGLMDKAP-ZDUSSCGKSA-N 309.253 -0.412 30 20 DBED Cc1[nH]c2ccnn2c(=O)c1CC(=O)N1CCO[C@H](C#N)C1 1647084125 XSUZWLBXQKKQNE-SNVBAGLBSA-N 301.306 -0.376 30 20 DBED COCC[C@@H](NS(=O)(=O)c1ccc(CC#N)cc1)C(N)=O 1647128430 QUHWHODXYHOMRY-GFCCVEGCSA-N 311.363 -0.079 30 20 DBED C#CCNC(=O)CN1CCC[C@@H](NC(=O)C[C@@H]2COC(=O)C2)C1 1660813873 AIAQXFLCURPKQD-QWHCGFSZSA-N 321.377 -0.730 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2cc(C)nnc2C)C1 1731646245 FJSCHKOHJURCNV-ZDUSSCGKSA-N 315.377 -0.353 30 20 DBED C=CCN1CCN(CCNC(=O)c2cc(OC)n(C)n2)CC1 1752367941 XUUWAJZWNHAZON-UHFFFAOYSA-N 307.398 -0.038 30 20 DBED C=CCCNC[C@H]1CCN(C(=O)CCS(=O)(=O)NC)C1 1752938212 GNMPWFQTMKHHST-GFCCVEGCSA-N 303.428 -0.060 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@@H](CNCC(=O)NCCC)C1 1752939535 ULFFBSGEVRQAQU-KBPBESRZSA-N 309.410 -0.011 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)Cc1cc[nH]n1 1753420049 YGHLVGAELUDSNJ-UBHSHLNASA-N 315.377 -0.625 30 20 DBED CN(C(=O)c1cncn1C)[C@H]1CCN(CC(=O)NCC#N)C1 1753440883 XSYLZYQSPADGIP-NSHDSACASA-N 304.354 -0.794 30 20 DBED C#CCNC(=O)CN1CC[C@H](N(C)C(=O)c2ccn(CC)n2)C1 1753446149 VWUOZGWRLDTBKW-ZDUSSCGKSA-N 317.393 -0.201 30 20 DBED C#CCCNC[C@@H](O)CNC(=O)c1cc2c(O)ncnc2cn1 1753935646 UQVXUCLKJHMZOQ-SNVBAGLBSA-N 315.333 -0.566 30 20 DBED C#CCNC(=O)CNC[C@H](C)NC(=O)c1cccnc1OC 1754281204 BNHYWXRYBOYOLQ-NSHDSACASA-N 304.350 -0.453 30 20 DBED CC(C)n1ccc(C(=O)N[C@@H](C)CNCC(=O)NCC#N)n1 1754285552 BSJZQNGMHSHOJF-NSHDSACASA-N 306.370 -0.188 30 20 DBED Cc1cnn(C)c1C(=O)N[C@@H](CNCC(=O)NCC#N)C1CC1 1754448856 GZHCMGAQMSNXDM-LBPRGKRZSA-N 318.381 -0.534 30 20 DBED CCc1ocnc1C(=O)NC[C@H]1CCN1CC(=O)NCC#N 1754477865 MTLYADDZGSEVHS-SNVBAGLBSA-N 305.338 -0.319 30 20 DBED N#CCNC(=O)CNC1(CNC(=O)c2c[nH]nc2C2CC2)CC1 1754531130 QBDFERWEQDJSAP-UHFFFAOYSA-N 316.365 -0.221 30 20 DBED C=CCNC(=O)CN1CC(N(C)C(=O)C[C@H]2CCC(=O)NC2)C1 1754576430 LUONMABSPRSCTR-GFCCVEGCSA-N 322.409 -0.653 30 20 DBED CC(C)NC(=O)CN(C)CC(=O)N1CC[C@H](NCC#N)C[C@H]1C 1754595678 AUGBPLYSQKOARS-KGLIPLIRSA-N 323.441 -0.065 30 20 DBED C#CCOCCC(=O)N1CC[C@](C)(CN[C@H](C)C(=O)NC)C1 1754694581 GQCZQXIHSVPSTC-CZUORRHYSA-N 309.410 -0.011 30 20 DBED C=CCOCCN1CC(O)(CNC(=O)c2cc(OC)ncn2)C1 1754767917 XQHXMGHYSJMMMU-UHFFFAOYSA-N 322.365 -0.536 30 20 DBED C#CCNC(=O)CN1C[C@H]2CN(C(=O)[C@@H]3CO[C@H](C)C3)C[C@H]2C1 1754845484 HKEOAKBPMOOUKB-BARDWOONSA-N 319.405 -0.449 30 20 DBED C#Cc1ccc(C(=O)N(CCO)CCN[C@H](CC)C(N)=O)cn1 1754896740 OGTFAKSUEOHSJK-CQSZACIVSA-N 318.377 -0.649 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)c2oncc2C)C[C@@H]1C 1755118427 HYEXEITUNKNKFB-NWDGAFQWSA-N 304.350 -0.217 30 20 DBED C=CCNC(=O)CNCC1CC(NC(=O)[C@@]2(C)CCNC2=O)C1 1755218948 XFWMRMSDRDDIIA-PPUFBPAQSA-N 322.409 -0.701 30 20 DBED Cn1cncc1C(=O)N1C[C@H]2CC[C@H]1CN2CC(=O)NCC#N 1755396380 UKRHOHBIHDMPLJ-NEPJUHHUSA-N 316.365 -0.651 30 20 DBED CCOCCC(=O)NCC1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]12 1755418836 ZQMYAHPDCJXQBJ-STQMWFEESA-N 308.382 -0.653 30 20 DBED CCNC(=O)CN[C@H](C)[C@H]1CN(C(=O)C#CC(C)C)CCO1 1755441749 JUVRGZMDNYJCHD-ZIAGYGMSSA-N 309.410 -0.013 30 20 DBED C#CCOCCC(=O)N1C[C@@H]2CCC[C@H](NCC(=O)NC)[C@H]2C1 1755707067 PRQAGOKYNJUHJE-KKUMJFAQSA-N 321.421 -0.011 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@H](O)CN(C)C(=O)/C=C(\C)C1CC1 1755773990 YJZNKWNAZWPVFY-LBNDFQBJSA-N 321.421 -0.111 30 20 DBED C#CCCCC(=O)N1CC[C@@H](NC(=O)Cn2ncnn2)[C@H]1C 1756562102 QYJMHGUAZVYACY-VXGBXAGGSA-N 304.354 -0.418 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)n1cncn1)C2 1800455952 DGHYGNGNNATSQP-NRWUCQMLSA-N 317.349 -0.938 30 20 DBED CO[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC(=O)O 1801991597 XPSMADIQBAJWLK-YFKTTZPYSA-N 308.334 -0.253 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(C)=O)CCO2)C1 1835195911 HYTOKGPPTDUHFF-XJKSGUPXSA-N 324.377 -0.499 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O 63095113 KEEJLVRAOHANOL-MRVPVSSYSA-N 300.340 -0.993 30 20 DBED C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)CC(=O)NCC#N 102823012 CGZRSHAUAIKGTA-JTQLQIEISA-N 310.379 -0.033 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)CN2CCCC2)CC1 103150629 VMPVJBKKQHHGKD-CQSZACIVSA-N 306.410 -0.636 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)c2cc(C)on2)CC1 264209235 VNPANKBLYUWZBT-UHFFFAOYSA-N 304.350 -0.120 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1CCS(=O)(=O)C[C@H](C)C1 277587143 WJTPGJAXWAXFSZ-MNOVXSKESA-N 317.411 -0.247 30 20 DBED N#Cc1ncccc1S(=O)(=O)NC[C@H](CO)[C@H]1CCOC1 281048466 RWGRBEUAQZHVEV-WDEREUQCSA-N 311.363 -0.123 30 20 DBED C=CCCO[C@@H](C)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 299272973 KSAVVCZYZSTPDV-LBPRGKRZSA-N 322.369 -0.675 30 20 DBED CN/C(=N\C[C@@H]1CCCS1(=O)=O)NCCN1CCOCC1 305091766 XXLHVXUZODVUPP-LBPRGKRZSA-N 318.443 -0.939 30 20 DBED CN1CCN(C(=O)CC/N=C(/O)N[C@@H]2CCCN=C2O)CC1 328690890 QYXGXDPQEQYWPX-LLVKDONJSA-N 311.386 -0.227 30 20 DBED CCC(=O)N1CC[C@@H](/N=C(/O)CN2CCCS2(=O)=O)C1 329987794 GNEXRDMOFWLGKT-SNVBAGLBSA-N 303.384 -0.011 30 20 DBED CN(CC(=N)O)C[C@@H]1CN(/C(O)=N/[C@@H]2[C@H]3COC[C@H]32)CCO1 330000661 WVGGNAHBEFCZOH-DCQANWLSSA-N 312.370 -0.287 30 20 DBED CCC(=O)N1CC[C@H](/N=C(/O)CN2CCN(CC)C(=O)C2=O)C1 330006750 DAJZUOQCYWHALQ-NSHDSACASA-N 324.381 -0.356 30 20 DBED C[C@H]1CN(CC(C)(C)O)CCN1/C(O)=N/Cc1nnn(C)n1 330210256 CFLXASNLBLZSTD-JTQLQIEISA-N 311.390 -0.599 30 20 DBED CCO[C@@H]1C[C@H](O)C12CCN(/C(O)=N/Cc1nnn(C)n1)CC2 330235062 TUDMPNBXCBGBAW-WDEREUQCSA-N 324.385 -0.124 30 20 DBED C[C@H]1CN(S(=O)(=O)N(C)C[C@@H](C)C#N)CCS(=O)(=O)C1 332061432 YVDGDCAXJQELNB-QWRGUYRKSA-N 323.440 -0.311 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(CCO)CC2CC2)C1=O 345026277 YYYIRLCFSVHBTD-UHFFFAOYSA-N 309.322 -0.806 30 20 DBED CN(C)S(=O)(=O)NCCNC(=O)c1ccc(F)c(C#N)c1 348321615 VVFKWHVLCPIRNP-UHFFFAOYSA-N 314.342 -0.177 30 20 DBED CN(C(=O)C(=O)Nc1ccc(F)c(C#N)c1)[C@@H]1COC[C@@H]1O 356919783 SAQZTJPRZVLBEI-NEPJUHHUSA-N 307.281 -0.146 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@@H](C)N[C@H](C)C2)C1=O 429396533 BTQRLHBRGWFJEC-NXEZZACHSA-N 308.338 -0.828 30 20 DBED CCS(=O)(=O)N1CC(CNS(=O)(=O)CCCCC#N)C1 438887280 PHYPRXSTVGPCRP-UHFFFAOYSA-N 323.440 -0.119 30 20 DBED CC(C)(C)OC(=O)NC[C@@](C)(O)CNCC(=O)NCC#N 496160951 XNKNLRJLNFGDBL-ZDUSSCGKSA-N 300.359 -0.509 30 20 DBED CNS(=O)(=O)[C@@H]1CCN([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 532758117 UHNNQYBPFUNPIQ-CHWSQXEVSA-N 322.390 -0.292 30 20 DBED COCCNC(=O)CN1CCN(C(=O)NC[C@H](C)C#N)CC1 542875866 RLISHPBFWRBZNH-GFCCVEGCSA-N 311.386 -0.764 30 20 DBED C[C@H](CN1CCOCC1)NC(=O)NCCn1cnc(C#N)n1 553469799 UZSPWNTXNPGRNP-LLVKDONJSA-N 307.358 -0.830 30 20 DBED CCC(CC)(NC(=O)C1CN(c2cc(C#N)ncn2)C1)C(N)=O 553729783 ZSPUQWXNQRBBJC-UHFFFAOYSA-N 316.365 -0.055 30 20 DBED Cn1ncc2c(NCCCc3[nH][nH]c(=N)c3C#N)[nH]c(=N)nc21 565548123 HZTSXMVWIGIYCI-UHFFFAOYSA-N 312.341 -0.172 30 20 DBED Cn1ccc(=O)n(CCCNC(=O)c2ccc(C#N)cn2)c1=O 582275600 YNUMFDMZRDYJDC-UHFFFAOYSA-N 313.317 -0.366 30 20 DBED CC(C)CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)NCC#CCO 584241155 DNVBVSQUTRIZGH-CYBMUJFWSA-N 306.366 -0.405 30 20 DBED N#CCc1cccc(S(=O)(=O)NC[C@H](O)Cn2ccnn2)c1 594783505 HQLDLHJOCZXLGU-LBPRGKRZSA-N 321.362 -0.316 30 20 DBED C[C@@H]1CCCN(c2c(C#N)c(=O)n(C)c(=O)n2C)[C@H]1CCN 596013234 FXXGWGFCCFENGY-PWSUYJOCSA-N 305.382 -0.091 30 20 DBED Cc1csc(NCCNc2c(C#N)c(=O)n(C)c(=O)n2C)n1 596265241 HYNHZALZVARHSK-UHFFFAOYSA-N 320.378 0.245 30 20 DBED C[C@@H](CO)[C@@H]1CCCCN1c1c(C#N)c(=O)n(C)c(=O)n1C 596437252 VFFDWHFOWPYVJT-JQWIXIFHSA-N 306.366 -0.057 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@H](C)[C@H](CO)C2)C1=O 622227011 DMPKXHJLVGVZGD-QWRGUYRKSA-N 323.349 -0.560 30 20 DBED C=C[C@H](CO)NC(=O)Nc1ccnn1[C@@H]1CCS(=O)(=O)C1 666790231 RNWUUBVMHWNRIW-NXEZZACHSA-N 314.367 -0.089 30 20 DBED CCn1c(N)c(C(=O)CN2CC[C@](F)(C#N)C2)c(O)nc1=O 682435563 YFVVIGMJYVQQPZ-ZDUSSCGKSA-N 309.301 -0.329 30 20 DBED CN(CCS(N)(=O)=O)S(=O)(=O)c1cccc(C#N)c1 719715443 YPSRSXSUNPTBPJ-UHFFFAOYSA-N 303.365 -0.533 30 20 DBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@@H]1CCC(=O)N1C 752683982 CIBODKLBRALJSN-NSHDSACASA-N 304.354 -0.125 30 20 DBED C#CCN1CCN(C(=O)CN2CCC(CO)(OC)CC2)CC1 773946568 WNMXTVKDIGDSEQ-UHFFFAOYSA-N 309.410 -0.763 30 20 DBED C#C[C@H](NC(=O)N1CCCS(=O)(=O)CC1)[C@@H]1CCCO1 776226671 HDHZRGIKPCJSFI-RYUDHWBXSA-N 300.380 -0.003 30 20 DBED N#CC1(NC(=O)COC(=O)CNC(=O)c2ccccn2)CCC1 784228212 GXRFMVOJPWBBAH-UHFFFAOYSA-N 316.317 -0.083 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)c1ccn(CCOC)n1 784313419 MQKVWGOBIZLIHD-UHFFFAOYSA-N 310.310 -0.302 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(CN(C)C[C@H](C)OC)c1=O 795752614 UPJYDKFZWWRQRT-LBPRGKRZSA-N 324.381 -0.532 30 20 DBED CON=CC(=O)NCCNS(=O)(=O)c1ccc(F)cc1F 809803533 UZYWFEIQACAMKO-UHFFFAOYSA-N 321.305 -0.009 30 20 DBED C[C@H]1CN(C(=O)[C@@](C)(C#N)CC(=O)O)CCN1S(C)(=O)=O 820927749 FEEHSSTZFFOGJU-JOYOIKCWSA-N 317.367 -0.517 30 20 DBED CS(=O)(=O)c1ccccc1CC(=O)N[C@@H]1CNC[C@@H]1C#N 834499814 NCRBKFURAKNJOM-NWDGAFQWSA-N 307.375 -0.140 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCN(C)C[C@@H](C(=O)OC)C1 840504108 OHOQOTMWOMMPPO-KGLIPLIRSA-N 307.394 -0.353 30 20 DBED C#CCN1CCN(C(=O)C2(O)CN(C(=O)OC(C)(C)C)C2)CC1 847489192 LFSRDZFBMRQOHC-UHFFFAOYSA-N 323.393 -0.254 30 20 DBED NC(=O)[C@@]1(NC(=O)C#Cc2ccc3c(c2)OCO3)CCOC1 848318436 RKHZHNDTPQMOOI-OAHLLOKOSA-N 302.286 -0.473 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N1CC(S(=O)(=O)CC)C1 853976787 IFUBAJWWIPJISV-UHFFFAOYSA-N 324.424 -0.584 30 20 DBED C#CCN1CCC[C@H](NC(=O)NC[C@H]2CN(C)CCN2C)C1 884141087 OTYIPQSCEMZAFY-GJZGRUSLSA-N 307.442 -0.371 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@H](C)S(C)(=O)=O 919350351 WPRDBQYOWILSEG-SFYZADRCSA-N 306.340 -0.637 30 20 DBED O=C(NCC(F)(F)F)[C@H]1CCN(C(=O)NCC#CCO)C1 923774611 UJXDFIDGJNSINF-VIFPVBQESA-N 307.272 -0.308 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1nccnc1N 936651658 DJBZALPWSMSNCM-UTLUCORTSA-N 300.322 -0.356 30 20 DBED CN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CCN(C(=O)CC(N)=O)C1 936946304 APSYJAQPFXSWEU-SNVBAGLBSA-N 303.322 -0.565 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)Cc1cncn1C 937529830 YZDHKTFSSDMVDG-WXHSDQCUSA-N 301.350 -0.066 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](NC(=O)c2cc(C(N)=O)c[nH]2)[C@H](C)C1 939541694 QZIRSFSJIDVCCN-KBVBSXBZSA-N 317.349 -0.150 30 20 DBED CCN(C(=O)c1c[nH]c(=O)cn1)[C@H]1CCN(C(=O)[C@H](C)C#N)C1 942942155 ZVAWTQLAPDBRHW-MNOVXSKESA-N 317.349 -0.007 30 20 DBED N#Cc1ccc(C(=O)N2CCCC[C@@H](NC(=O)C(N)=O)C2)[nH]1 943494213 ATCLLKAETGQKSC-SNVBAGLBSA-N 303.322 -0.517 30 20 DBED Cc1ccc(=O)n(CC(=O)N[C@@H]2CCN(CC#N)C[C@H]2C)n1 944241363 ITYSIVSMBNTKQS-DGCLKSJQSA-N 303.366 -0.098 30 20 DBED Cc1cc(C(=O)NC[C@H]2CN(C(=O)[C@H](C)C#N)CCO2)ncn1 944552880 NSMDLMXZOYYCJZ-PWSUYJOCSA-N 317.349 -0.098 30 20 DBED O=C1CC(C(=O)NC[C@@H]2CCN2C(=O)C#CC2CC2)CC(=O)N1 951091490 CTKNZVBBFKHDTC-LBPRGKRZSA-N 317.345 -0.830 30 20 DBED CN(C(=O)c1cc(C#N)c[nH]1)C1CN(C(=O)[C@@H]2COC(=O)N2)C1 953989678 ADBBKUGCQXHNSG-NSHDSACASA-N 317.305 -0.722 30 20 DBED CN(C(=O)c1ccc(C#N)[nH]1)C1CN(C(=O)Cc2nc[nH]n2)C1 954086624 AGJPBKGUAZPEQU-UHFFFAOYSA-N 313.321 -0.470 30 20 DBED C[C@@H](C#N)C(=O)N1CC(N(C)C(=O)c2ccn3nnnc3c2)C1 954953445 LMIPFAFVGBUWOF-VIFPVBQESA-N 313.321 -0.433 30 20 DBED CC#CCN1C[C@H](CNC(=O)c2cc3n(n2)CCO3)[C@@H](O)C1 958135085 KNENVCPGVGYUPW-AAEUAGOBSA-N 304.350 -0.679 30 20 DBED N#CCN1C[C@@H](O)[C@H](CNC(=O)c2snnc2C2CC2)C1 958158573 SBXVWLHCLLDYJZ-NXEZZACHSA-N 307.379 -0.038 30 20 DBED CC#CCN1C[C@@H](O)[C@@H](CNC(=O)c2ccn(CCOC)n2)C1 958248053 DQIXLIGDKIPMRA-DZGCQCFKSA-N 320.393 -0.425 30 20 DBED Cc1cc(C(=O)NC[C@H]2CN(CC#N)C[C@H]2O)ncc1C(N)=O 958410165 YZZRUGKHOJBSOK-GXFFZTMASA-N 317.349 -0.965 30 20 DBED Cn1ncc(CN2C[C@H]3[C@H](NC(=O)c4c[nH]c(C#N)c4)[C@H]3C2)n1 958618022 NEOYAZSBYUGIJD-WDNDVIMCSA-N 311.349 -0.125 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1[C@@H]2CN(CC(=O)N(C)C)C[C@@H]12 960355487 ZQOMTAAONYCRKF-MCIONIFRSA-N 318.421 -0.781 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(CC1)C[C@H]2NC(=O)Cn1cncn1 965492821 XNKZQZHLELJKQK-NWDGAFQWSA-N 316.365 -0.065 30 20 DBED Cc1c(CC(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)cnn1C 965623204 ZSQYMDGWBGQWGF-WQAKAFBOSA-N 319.365 -0.881 30 20 DBED Cc1nc[nH]c1C(=O)N[C@@H]1COC2(C1)CN(C(=O)[C@@H](C)C#N)C2 965744652 RXNZGZYQDJBGOA-ONGXEEELSA-N 317.349 -0.023 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(C[C@H](NC(=O)c3cnon3)CO2)C1 965794079 XLXQDFVBLTYCCC-IUCAKERBSA-N 305.294 -0.671 30 20 DBED C=CCN1CC[C@@H](N[C@@H]2CCN(C(=O)c3nc[nH]n3)C2)C1=O 970297434 RGCIQNSDAZFVJK-GHMZBOCLSA-N 304.354 -0.604 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@H]1CN2CCN1C(=O)CCC1=O 971194935 LKWSYRJFSICRMF-XQQFMLRXSA-N 318.377 -0.030 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)c3c[nH]c(=O)cn3)C[C@H]21 974972019 YFLNNFACTPMAJT-HOSYDEDBSA-N 315.333 -0.398 30 20 DBED C#CCCN1C[C@@H](NC(=O)C2CC(=O)NC(=O)C2)C(C)(C)C1 977332718 ZSXICMXNVIFCKF-GFCCVEGCSA-N 305.378 -0.111 30 20 DBED C#CCCN1C[C@@H]2C(CNC(=O)c3ccc(=O)n(C)n3)[C@H]2C1 979067490 ZPYXZTYZUKPKFD-CHWSQXEVSA-N 300.362 -0.289 30 20 DBED O=C1CC[C@H](C(=O)NC[C@H]2CCN(C(=O)C#CC3CC3)C2)N1 982738926 CCWKMMRPYMOFHA-CHWSQXEVSA-N 303.362 -0.357 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](CNC(=O)C2CS(=O)(=O)C2)C1 983210759 FHRMYOOJBATTHX-UWVGGRQHSA-N 313.379 -0.845 30 20 DBED C#CCN[C@H]1CCN(C(=O)Cn2nc3ccccn3c2=O)[C@@H]1C 986621666 DUSPGOAUSHVSIV-OLZOCXBDSA-N 313.361 -0.292 30 20 DBED CN1CCCC[C@@H](C(=O)NC2CN(C(=O)C#CC3CC3)C2)C1=O 996379709 CJRCEVQVLGNWJL-AWEZNQCLSA-N 317.389 -0.015 30 20 DBED C=CCn1cc(C(=O)N2CCC[C@@H](N[C@H](CC)C(N)=O)C2)nn1 1000412796 STNBJOOZQDREDU-VXGBXAGGSA-N 320.397 -0.078 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C(N)=O 1005664745 JWPQDQGMMVJHPQ-JCIQBVFBSA-N 307.350 -0.689 30 20 DBED C=C(Cl)CN1CCC[C@H](NC(=O)CN2CCNC(=O)C2)C1 1008161006 ALAUXDJSABQHFU-LBPRGKRZSA-N 314.817 -0.249 30 20 DBED CC#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@@H]1NC(=O)NC1=O 1017629045 XMGBHKANPNNQGC-TUAOUCFPSA-N 304.350 -0.717 30 20 DBED C[C@H](C#N)C(=O)N1CCCO[C@@H](CNC(=O)c2cn(C)nn2)C1 1019581486 XRHAYBZIHSQFLT-MNOVXSKESA-N 320.353 -0.678 30 20 DBED C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2cn(CC(N)=O)nn2)C1 1021089102 ANZQSLYPILWUEN-KYZUINATSA-N 312.761 -0.634 30 20 DBED C=CCN1CC[C@@H](N[C@H]2C[C@@H](NC(=O)c3ncn(C)n3)C2)C1=O 1022045473 WYWADPFQMYNEBN-GRYCIOLGSA-N 318.381 -0.548 30 20 DBED O=C(N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O)[C@H]1CCCCO1 1023415421 CFLRPLHWDBFVDA-MGPQQGTHSA-N 306.362 -0.343 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2O)c[nH]1 1023466017 NBHATOWSSPYPFO-ZIAGYGMSSA-N 312.329 -0.399 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)C(N)=O)C23CCC3)[nH]1 1025902594 JWCROCLHCINHPV-WDEREUQCSA-N 315.333 -0.471 30 20 DBED C=C(C)CN1CC(CNC(=O)c2cn(CC(=O)N(C)C)nn2)C1 1032206752 MCVAPOXWJXBHGW-UHFFFAOYSA-N 320.397 -0.396 30 20 DBED CC#CCN1CCO[C@@H](CNC(=O)[C@H]2CC(=O)N(CC)C2)C1 1035389382 CGHAGAPNOKRSEV-KBPBESRZSA-N 307.394 -0.305 30 20 DBED CC#CCN1CC[C@@H]2CN(C(=O)CN3CC(=O)NC3=O)CC[C@@H]21 1036843292 DBABNPZMCPJYBH-OLZOCXBDSA-N 318.377 -0.516 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)Cn2ccnc2)C1 1040214501 OLRVJWBTVQGYOJ-RISCZKNCSA-N 305.338 -0.878 30 20 DBED C[C@@H]1CN(C(=O)C(N)=O)CC[C@H]1CN=c1cc[nH]cc1C#N 1040439567 AAAGSFZHLIPZEE-MNOVXSKESA-N 301.350 -0.243 30 20 DBED C=CCCC(=O)N1CC[C@](O)(CNC(=O)[C@H]2CCN(C)C2=O)C1 1040614049 UYCXUZVZVWSHBC-WBMJQRKESA-N 323.393 -0.490 30 20 DBED COC[C@@H](OC)C(=O)NC[C@@]1(O)CCN(C(=O)C#CC2CC2)C1 1040844270 TWRIJLDUVLPPOT-CJNGLKHVSA-N 324.377 -0.859 30 20 DBED C=CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)C(C)(F)F)C1 1041154294 KSSJXAYDWCBFDH-SECBINFHSA-N 306.309 -0.078 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)c2ccnc(O)c2)C1 1042936798 QENYDRZUKXLLNE-UHFFFAOYSA-N 317.345 -0.250 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)C2[C@H]3CCC[C@H]23)C1 1043039480 GQBDFQYWGJZKAY-AGIUHOORSA-N 320.389 -0.240 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2ccn(C)c2)C1 1043040912 ZJZULSMKKLQDKX-LBPRGKRZSA-N 319.361 -0.634 30 20 DBED CC1(C(=O)NCC2(O)CN(C(=O)c3ccc(C#N)[nH]3)C2)CC1 1043374876 HLZAVWPZLVFZDD-UHFFFAOYSA-N 302.334 -0.010 30 20 DBED CC#CCN1CC(N(C)C(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 1043435409 MLUHEJQSTFCKOM-ZDUSSCGKSA-N 301.350 -0.469 30 20 DBED C#CCN1CCC(C(=O)N(C)C2CN(CC(=O)NC)C2)CC1 1044334728 SLLJYBBPPMROMX-UHFFFAOYSA-N 306.410 -0.780 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)Cc3cnoc3)C2)nc1 1044411024 OVPGGDYSPJOSQE-OLZOCXBDSA-N 313.317 -0.150 30 20 DBED C=CCCCC(=O)NCC1(O)CN(C(=O)c2ccc(O)nn2)C1 1045451590 WYEFZUBCCLGUMH-UHFFFAOYSA-N 320.349 -0.158 30 20 DBED COCC1(C(=O)N2CC(O)(CNC(=O)[C@@H](C)C#N)C2)CCC1 1045558813 BRMZHXGDWKOECC-NSHDSACASA-N 309.366 -0.348 30 20 DBED C=C[C@](C)(CC)C(=O)NCC1(O)CN(C(=O)Cc2nc[nH]n2)C1 1045783512 YGYWHCTUNWDEMV-CQSZACIVSA-N 321.381 -0.361 30 20 DBED CN(C(=O)C(N)=O)[C@H]1CN(Cc2cc(C#N)ccc2F)C[C@@H]1O 1047506907 KOOTUXNXSAJVOU-STQMWFEESA-N 320.324 -0.814 30 20 DBED C=C1CC(C)(C(=O)N(C)[C@H]2CN([C@@H](C)C(=O)NC)C[C@@H]2O)C1 1047519943 YWEIWHFQXJOHDP-AVGNSLFASA-N 309.410 -0.019 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2cccn(C)c2=O)C1 1047602226 DTQZNRVTYTUVNO-KBPBESRZSA-N 303.362 -0.474 30 20 DBED C=C(C)CN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCS2(=O)=O)C1 1047633871 PLVHDBQBJWNCRG-AVGNSLFASA-N 316.423 -0.357 30 20 DBED C#CCOCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CSC)C1 1048189234 PZBTTZUPVXOQQU-RYUDHWBXSA-N 314.407 -0.581 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CN([C@@H]3CCC(=O)NC3=O)C[C@@H]2C1 1048728052 SLRPRPQFORHKCJ-WISYIIOYSA-N 304.350 -0.659 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)c1cn(C)c(C)cc1=O 1050967432 VCTXUWUFHAQEEX-CYBMUJFWSA-N 303.362 -0.242 30 20 DBED C#CCN1CCC(C(=O)NC[C@@H]2COCCN2CCCO)CC1 1051254814 MBIXDPXCQMNIEH-MRXNPFEDSA-N 323.437 -0.469 30 20 DBED C=C1CC(C)(C(=O)N2CCO[C@@H](CNCc3nnnn3C)C2)C1 1051814781 JTXYEIMJIOIYIA-LBPRGKRZSA-N 320.397 -0.117 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1CNC(=O)Cn1nccn1 1052553531 JGHOTHAYMBSXBB-OCCSQVGLSA-N 315.377 -0.098 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC2(C1)CN([C@@H]1CCN(C)C1=O)C2 1053191088 LTUHCKJWDSKPBX-NWDGAFQWSA-N 306.366 -0.710 30 20 DBED C=CCN1CC2(C1)CN(C(=O)[C@H]1CN(C)C[C@@H](C)O1)CCO2 1053304983 VTAMHQQCEQXRMT-ZIAGYGMSSA-N 309.410 -0.195 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)C[C@H]3CCNC3=O)CO2)C1 1053827569 CPRWYROOSOZZCU-OLZOCXBDSA-N 305.378 -0.505 30 20 DBED N#Cc1ccc(CN2CC3(C[C@@H](NC(=O)C(N)=O)CO3)C2)cc1 1053911537 GTCRBCOOLIJAME-CYBMUJFWSA-N 314.345 -0.497 30 20 DBED CCNC(=O)CC(=O)N1C[C@H]2CN(C(=O)C#CC3CC3)C[C@H]2C1 1055294640 LLUVHWMACRQPER-OKILXGFUSA-N 317.389 -0.157 30 20 DBED N#Cc1nccnc1N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cn1cncn1 1055333756 XMHDYQVNFMSARF-WZRBSPASSA-N 324.348 -0.134 30 20 DBED Cn1ncc(C(=O)N2CCN(c3nccnc3C#N)CC2)c1N 1055776999 NRJAAZDHBXPMTR-UHFFFAOYSA-N 312.337 -0.374 30 20 DBED C#CCOCCC(=O)NCCN(CCO)C(=O)c1cnn(C)c1 1056934055 DHXCNLGURVJZFW-UHFFFAOYSA-N 322.365 -0.989 30 20 DBED C=CCO[C@H](C)C(=O)NCCN(CCO)C(=O)CCCOC 1057080885 ASCVIZFNPFMMTG-CYBMUJFWSA-N 316.398 -0.059 30 20 DBED C=CCO[C@H](C)C(=O)NCCN(CCO)C(=O)C[C@@H](C)OC 1057163231 MQSGTQZGPXURJO-CHWSQXEVSA-N 316.398 -0.060 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)CC1CCOCC1 1057242997 QJSSOQYDZCESNO-LBPRGKRZSA-N 311.382 -0.100 30 20 DBED N#Cc1nc(=NC2CCN(C(=O)[C@@H]3CCNC3=O)CC2)cc[nH]1 1057398543 AKCGVISNYSCDIG-LLVKDONJSA-N 314.349 -0.691 30 20 DBED C=C[C@](C)(O)CC(=O)NCCN(CCO)C(=O)CC(C)(C)O 1057462031 OAURAKPVAMCNKZ-HNNXBMFYSA-N 316.398 -0.588 30 20 DBED O=C(CO[C@H]1CCOC1)NCCN(CCO)C(=O)C#CC1CC1 1057533203 KFWJWDSZLWKGTK-AWEZNQCLSA-N 324.377 -0.858 30 20 DBED CC(C)(C)C#CC(=O)N(CCO)CCNC(=O)[C@@H]1CCC(=O)N1 1057538818 GKFMQOKHUYYIAX-LBPRGKRZSA-N 323.393 -0.748 30 20 DBED C=CCn1cc(C(=O)N(CCO)CCNC(=O)CCC)nn1 1057626810 YHUATUKBMRRLEW-UHFFFAOYSA-N 309.370 -0.185 30 20 DBED N#Cc1ccc(N2CC[C@H](NC(=O)CN3CCOCC3)C2)nc1 1058324558 NEXLBFSESIDDDD-AWEZNQCLSA-N 315.377 -0.020 30 20 DBED C[C@]1(C(=O)N[C@@H]2CCN(c3cncc(C#N)n3)C2)CCNC1=O 1058541869 VSDBVFJXIRIIKG-BMIGLBTASA-N 314.349 -0.431 30 20 DBED Cc1cc(C#N)nc(N[C@H]2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)n1 1059067331 WJFFXZZMRFRGHF-WCQGTBRESA-N 314.349 -0.209 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 1060952785 IVIRZIWCVIVTJW-DGCLKSJQSA-N 313.361 -0.228 30 20 DBED CO[C@@H](C)C(=O)NC[C@H]1COCCN1C(=O)c1c[nH]c(C#N)c1 1061365511 BSFOWQJQXGFLIE-GWCFXTLKSA-N 320.349 -0.122 30 20 DBED CC(=O)N[C@@H](C)C(=O)N1CCOC[C@H]1CNC(=O)C#CC(C)C 1061558009 IFWKKHLYMRWNJZ-GXTWGEPZSA-N 323.393 -0.486 30 20 DBED Cn1ncc(C(=O)N2CCOC[C@@H]2CNC(=O)C#CC2CC2)n1 1061569996 QVTWTSSFSPEEBJ-LBPRGKRZSA-N 317.349 -0.814 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)c1cncn1C 1061852656 KZVQNBNDCPDPBA-GHMZBOCLSA-N 305.338 -0.463 30 20 DBED C=CCOCC(=O)NCC1(NC(=O)CNC(=O)OC)CCC1 1062702330 NEIHEDFCRQARGD-UHFFFAOYSA-N 313.354 -0.300 30 20 DBED CC(=O)NCC(=O)NC1(CNC(=O)c2ccc(C#N)[nH]2)CCC1 1062813985 PNWRAJUMSXESQF-UHFFFAOYSA-N 317.349 -0.209 30 20 DBED C#CCCCC(=O)NCC1(NC(=O)CS(C)(=O)=O)CCC1 1062866970 VVRHBVGUKRNCEV-UHFFFAOYSA-N 314.407 -0.010 30 20 DBED N#Cc1cnc(N2CCO[C@@H](CNC(=O)c3cnco3)C2)cn1 1063647930 SCNTWOGIPDXXQQ-NSHDSACASA-N 314.305 -0.029 30 20 DBED C=C[C@@](C)(CCOC)C(=O)NCC1(NC(=O)C(N)=O)CCC1 1063754310 UXFNAXFRSFGOGR-AWEZNQCLSA-N 311.382 -0.144 30 20 DBED C[C@H]1C[C@H](N=c2cc[nH]c(C#N)n2)CCN1C(=O)c1cnn[nH]1 1064838114 VIVIKAJGLQCEGU-VHSXEESVSA-N 312.337 -0.007 30 20 DBED C=CCOCC(=O)N1CCO[C@H](CNC(=O)[C@@H](C)OC)C1 1064977361 UZBQFOUJDSDFFR-VXGBXAGGSA-N 300.355 -0.433 30 20 DBED N#Cc1cnc(NC[C@@H]2CCCN2C(=O)[C@H]2CCNC2=O)cn1 1064984016 NCGNYZMXMCJKNO-RYUDHWBXSA-N 314.349 -0.113 30 20 DBED C=CC(C)(C)C(=O)NC[C@H]1CN(C(=O)c2nc[nH]n2)CCO1 1065450232 WIFBKCLNOFIAJA-JTQLQIEISA-N 307.354 -0.026 30 20 DBED CC#CCCCC(=O)N1CCO[C@@H](CNC(=O)c2nc[nH]n2)C1 1065482994 CFCPNBZNCCGHSJ-LBPRGKRZSA-N 319.365 -0.045 30 20 DBED N#Cc1nccnc1N1CCOC[C@H]1CNC(=O)c1cnn[nH]1 1066530330 CWFDJCNPFIDDHK-SECBINFHSA-N 314.309 -0.898 30 20 DBED N#Cc1c[nH]ccc1=NCC1CC(NC(=O)[C@@H]2COC(=O)N2)C1 1067845696 DFJRVORKSAZCAF-OCTTZUBCSA-N 315.333 -0.210 30 20 DBED C#CCCCC(=O)N1CC2(C[C@H](NC(=O)c3nc[nH]n3)CO2)C1 1068954386 DSQBSQMHFMMZID-NSHDSACASA-N 317.349 -0.292 30 20 DBED N#Cc1c[nH]c(C(=O)N2C[C@H](n3ccnn3)[C@H](NCCO)C2)c1 1070168541 LQFRLYOVFUNJIK-OLZOCXBDSA-N 315.337 -0.875 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@@H]2CCNC2=O)C[C@H]1c1cn(C)cn1 1070520990 QDMZEIULQILGMV-MBNYWOFBSA-N 315.377 -0.927 30 20 DBED Cn1cc(C(=O)N2C[C@@H]3C[C@@H]4CN(CC#N)C[C@]3(C2)O4)nn1 1070795187 MFBPWGSCTODMCF-MISXGVKJSA-N 302.338 -0.746 30 20 DBED C#CCN[C@@H]1CCO[C@H]1C1CCN(C(=O)Cn2ncnn2)CC1 1071055506 HSECMJUTTSQGPJ-HIFRSBDPSA-N 318.381 -0.708 30 20 DBED C=CCCOCC(=O)N[C@@H]1CCCN(C(=O)[C@H]2CCNC2=O)C1 1071069327 NHILAUHMQMFOIN-OLZOCXBDSA-N 323.393 -0.178 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCCN(C(=O)c2cnon2)C1 1071158495 QNEGDLVPQJKHFR-LLVKDONJSA-N 306.322 -0.170 30 20 DBED C=CCCC(=O)N1C[C@H](C)[C@@H](NC(=O)CN2CCNC(=O)C2)C1 1071778546 VWILJSFOIRQHFL-STQMWFEESA-N 322.409 -0.653 30 20 DBED CC(=O)NCC(=O)N[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1C 1071918266 MUHNOFRROCOQKN-ZANVPECISA-N 317.349 -0.401 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)CCCF)C1 1071940347 VRLFLDZOYNPJOY-NEPJUHHUSA-N 311.357 -0.161 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(C)(NC(=O)Cn2cnnn2)CC1 1073228872 KOILMOBKXIIKOV-JTQLQIEISA-N 305.342 -0.670 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](NC(=O)CCOC)[C@H](C)C1 1073622412 QDOYWMXUSMGFJI-OLZOCXBDSA-N 323.393 -0.484 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)[C@@H]2CCCN2C(C)=O)C1 1073863118 GNVILXLOJNZCHM-CABCVRRESA-N 307.394 -0.162 30 20 DBED C#CCNC(=O)CC(=O)NCC1(O)CCN(C(=O)C2CC2)CC1 1074396443 FHLORXRUFYEKHY-UHFFFAOYSA-N 321.377 -0.994 30 20 DBED CC(=O)N(C)CC(=O)N[C@@H](C)CCNC(=O)c1c[nH]c(C#N)c1 1076215664 PRHYZBSPSMIQQO-JTQLQIEISA-N 319.365 -0.011 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)C[C@](C)(O)C=C 1076300921 YHZFBJGKJVHRJS-BLLLJJGKSA-N 323.393 -0.536 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H](C)CCNC(=O)c1ncn(C)n1 1076374931 KASUDMXYQFTOEO-WDEREUQCSA-N 307.354 -0.522 30 20 DBED CC#CCN1C[C@@H]2CCN(C(=O)C[C@H]3CC(=O)NC3=O)[C@@H]2C1 1076649033 SOWNYWNRWICSKC-YNEHKIRRSA-N 303.362 -0.405 30 20 DBED Cn1cnc2c(C(=O)N[C@@H]3CN(CC#N)C[C@H]3O)ccnc21 1077658839 ORVYOAOJAWHJHP-GHMZBOCLSA-N 300.322 -0.733 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCCN(C)C2=O)C1 1077995779 QXGUEOABHMBABZ-BFHYXJOUSA-N 309.410 -0.018 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)Cc1nc[nH]n1 1078595722 HKPQZZMPZPVUQL-TUAOUCFPSA-N 321.381 -0.051 30 20 DBED C=CCN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)CN1CCN(C)C(=O)C1)C2 1078981545 VYCPAKJEHUXCPM-RBSFLKMASA-N 320.437 -0.085 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CN([C@@H](C)C(N)=O)C[C@H]2C)nn1 1080579265 XKWOLOWIWPYXFY-OUAUKWLOSA-N 306.370 -0.612 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CO)(NC(=O)c2ccnnc2)CC1 1081023732 DSHPDJSHPSUJLC-NSHDSACASA-N 317.349 -0.280 30 20 DBED N#CCSCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C(F)F)C1 1081149801 NDAQFOSIZICNNX-JGVFFNPUSA-N 307.322 -0.556 30 20 DBED C#Cc1ccc(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)COC)C2)nc1 1081180374 DLZWLRBPGGXPAG-GXTWGEPZSA-N 317.345 -0.742 30 20 DBED C#CCOCCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2ccc[nH]2)C1 1081252129 XIFNQEBBZVYKQQ-OCCSQVGLSA-N 319.361 -0.396 30 20 DBED O=C(Cn1cccn1)NC[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 1081258696 ASJOIOQOEODYNQ-KBPBESRZSA-N 316.361 -0.768 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@H](CNC(=O)CCOCC)C1 1081338859 XGYSBOSOIVQYHD-CHWSQXEVSA-N 314.382 -0.449 30 20 DBED C=CCCC1(C(=O)N2C[C@H](O)[C@H](CNC(=O)CC(N)=O)C2)CC1 1081368872 UFRDSUOXDDTSBC-NEPJUHHUSA-N 323.393 -0.456 30 20 DBED CC(C)C#CC(=O)N1C[C@H](CNC(=O)c2ccn(C)n2)[C@@H](O)C1 1081496213 GYCVKLYEMUPEHW-JSGCOSHPSA-N 318.377 -0.371 30 20 DBED C=CCCCC(=O)NC[C@H]1CN(C(=O)Cc2nc[nH]n2)C[C@@H]1O 1081705983 WVAZZNSXVXNJEC-RYUDHWBXSA-N 321.381 -0.361 30 20 DBED C#CCCN1C[C@@H](NC(=O)[C@H]2COCCN2C(C)=O)[C@H](OC)C1 1082377513 SZBFCZXAQICKGC-RBSFLKMASA-N 323.393 -0.928 30 20 DBED C#CCN1CCC(C(=O)N[C@@H]2CN(CCOC)C[C@H]2OC)CC1 1082383357 UGBNPDZLUGIIOQ-HZPDHXFCSA-N 323.437 -0.207 30 20 DBED C#CCN1CCC(C(=O)N[C@@H]2CN(CC#N)C[C@H]2OC)CC1 1082384403 UJMITTBYMZUFHV-HUUCEWRRSA-N 304.394 -0.329 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)C[C@H]1CCCC(=O)N1 1083137773 PZZZLFGSIVBNCV-FRRDWIJNSA-N 306.366 -0.520 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)c2cc3n(n2)CCCO3)C1 1083632007 YGPHJIYTSRJIGV-OLZOCXBDSA-N 304.350 -0.536 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)c2c(OC)ccnc2OC)C1 1083635554 ZMGRZVOXOHFVPZ-NEPJUHHUSA-N 319.361 -0.103 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)Cn2ccc(C(F)(F)F)n2)C1 1084033550 YAXBFVLLNGRUNJ-BDAKNGLRSA-N 317.271 -0.413 30 20 DBED C#CCN[C@@H]1CN(C(=O)Cc2cc[nH]n2)C[C@H]1c1cnn(C)c1 1086972334 GIZJBGPHVUMLPQ-LSDHHAIUSA-N 312.377 -0.097 30 20 DBED N#CCN[C@H]1CCCCCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 1088381720 KUOZFOWEIDGXPP-RWMBFGLXSA-N 308.382 -0.096 30 20 DBED C=CCN1CC[C@H](NC(=O)CN2C(=O)CC(C)(C)C2=O)[C@@H](O)C1 1090269937 VBMNLQQQRAUVRJ-RYUDHWBXSA-N 323.393 -0.491 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2cncc(C(N)=O)c2)[C@H](O)C1 1090820647 UJHYWHDTGXNPBB-ZIAGYGMSSA-N 316.361 -0.631 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1C[C@H](CNC(=O)CNC(N)=O)C1 1091422765 LINDFPAKLPDKGU-HOMQSWHASA-N 302.338 -0.650 30 20 DBED C[C@@H](CC(N)=O)C(=O)NC[C@H]1C[C@H](N=c2cc[nH]c(C#N)n2)C1 1091495822 MBNIEBBFYRBPOO-DCAQKATOSA-N 316.365 -0.412 30 20 DBED C[C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1CN=c1cc[nH]cc1C#N 1092634114 OANUJBMJSKFVDL-ZYHUDNBSSA-N 316.365 -0.450 30 20 DBED CC#CCN1CC(OC2CCN(C(=O)[C@@H]3CCNC3=O)CC2)C1 1093559492 QIMQUEXBMMQHQW-OAHLLOKOSA-N 319.405 -0.162 30 20 DBED N#Cc1cncc(NCCNC(=O)C2CCN(C(N)=O)CC2)n1 1093629526 WRDKXOYJWFDSIX-UHFFFAOYSA-N 317.353 -0.333 30 20 DBED CC[C@H]1CCCN1C(=O)C(=O)NCCN=c1cc[nH]c(C#N)n1 1093847625 BMAYQFNXPSXOQZ-NSHDSACASA-N 316.365 -0.301 30 20 DBED C#CCCN1CC(N2C[C@H](NC(=O)[C@H]3CCCO3)CC2=O)C1 1094702409 ZFUONEAQBWXBRF-TZMCWYRMSA-N 305.378 -0.410 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)Cn3cccn3)CC2=O)C1 1094705679 OOSLTWMMQFAHKA-LBPRGKRZSA-N 303.366 -0.530 30 20 DBED CCNC(=O)CC(=O)N1CCC(N=c2cc[nH]c(C#N)n2)CC1 1095225450 SAOSDLRRKNDASE-UHFFFAOYSA-N 316.365 -0.301 30 20 DBED CN1C[C@H](C(=O)NCCCN(C)c2nccnc2C#N)NC1=O 1095696787 MJTXFSSHWDCRBS-LLVKDONJSA-N 317.353 -0.686 30 20 DBED CN(CCCNC(=O)c1nnn(C)n1)c1cncc(C#N)n1 1095697982 JDWIVOMZXVULJU-UHFFFAOYSA-N 301.314 -0.872 30 20 DBED N#Cc1nc(=N[C@@H](CNC(=O)[C@H]2CCNC2=O)C2CC2)cc[nH]1 1096784281 ZNBINMGJZFCHGO-QWRGUYRKSA-N 314.349 -0.787 30 20 DBED C[C@H](CC(=O)N[C@H]1C[C@H](N=c2cc[nH]cc2C#N)C1)NC(N)=O 1097071334 KFKFERJMUZJUDF-YUSALJHKSA-N 316.365 -0.119 30 20 DBED C[C@H](CNC(=O)[C@H]1CN(C)CCO1)Nc1ccc(C#N)nn1 1097768683 QCOFIJWGIUOWES-ZYHUDNBSSA-N 304.354 -0.405 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCCNC1=O)N=c1cc[nH]cc1C#N 1098120977 QUFXKIDNXBGXOC-JQWIXIFHSA-N 301.350 -0.182 30 20 DBED C[C@@H](CNC(=O)[C@H]1C[C@H]1C(=O)N(C)C)Nc1ccc(C#N)nn1 1098269540 LYALWCCKOVLRGN-ZMLRMANQSA-N 316.365 -0.011 30 20 DBED C#CCCN(CCO)C1CCN(C(=O)c2nnn(C)n2)CC1 1098454762 SKEUZQDCYORCSF-UHFFFAOYSA-N 306.370 -0.868 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(Cc2ccn(C)n2)C[C@H]1O 1099741233 PTYFJVCTJPINOA-ZIAGYGMSSA-N 308.382 -0.326 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2nccc(C)n2)[C@@H](O)C1 1099800035 WRPREMSSMMRODP-KGLIPLIRSA-N 318.377 -0.400 30 20 DBED Cc1csc(=O)n1CCC(=O)N[C@@H]1CCN(CC#N)C[C@H]1O 1099879587 MOQGEDIYZBQVHC-VXGBXAGGSA-N 324.406 -0.317 30 20 DBED CN(CCNC(=O)c1c[nH]c(C(N)=O)c1)c1ccc(C#N)nn1 1100116659 KPXOWNUWEIZGCA-UHFFFAOYSA-N 313.321 -0.359 30 20 DBED Cc1nsc(N(C)CCNC(=O)[C@H]2CN(C)C(=O)N2)c1C#N 1100255227 FJUNQWKSYRMMJP-SNVBAGLBSA-N 322.394 -0.101 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1CC(NCC(=O)NCC#N)C1 1100322831 WAXJTSRIEUQVHD-HIFPTAJRSA-N 306.366 -0.851 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)[C@H]2CC[C@@H](C)O2)C1 1100688596 HYVOZCGIELOIHG-BLYZHGLHSA-N 307.394 -0.212 30 20 DBED C=CCNC(=O)CNC1CC(CNC(=O)CC(=O)N(C)C)C1 1100739051 FIFROXRTKZXCFW-UHFFFAOYSA-N 310.398 -0.749 30 20 DBED CC(=O)N1CC(C(=O)N(C)CCN=c2cc[nH]c(C#N)n2)C1 1101563293 XPEKOXRYWKWUAT-UHFFFAOYSA-N 302.338 -0.881 30 20 DBED CC[C@@H](CNC(=O)Cn1ncnn1)N=c1cc[nH]cc1C#N 1103208225 XKZFMDQQQCISTQ-NSHDSACASA-N 300.326 -0.631 30 20 DBED CCOCC(=O)N1C[C@@H](C)[C@H](CCNCC(=O)NCC#N)C1 1103842955 HTGMLCOMWCIJIZ-CHWSQXEVSA-N 310.398 -0.263 30 20 DBED C[C@@H](CNC(=O)c1cnnn1C)CNc1nccnc1C#N 1103962318 VKGNKFYXPUBTDZ-SECBINFHSA-N 300.326 -0.045 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)[C@]1(C)CCNC1=O 1104199845 IAUJPRWXQGXMRS-ZUZCIYMTSA-N 316.365 -0.539 30 20 DBED C[C@@H](CNc1ncccc1C#N)N(C)C(=O)Cn1ncnn1 1104687585 OCITXYUYYJPPJJ-JTQLQIEISA-N 300.326 -0.101 30 20 DBED Cc1cc(N(C)CCN(C)C(=O)Cn2cnnn2)c(C#N)cn1 1105344762 XKXHCWLPNBSPAG-UHFFFAOYSA-N 314.353 -0.157 30 20 DBED Cc1cc(CC(=O)NC[C@@H](O)CNc2nccnc2C#N)no1 1105766167 QORHPQWDONBVDK-LLVKDONJSA-N 316.321 -0.224 30 20 DBED COCC[C@H](C)C(=O)NC[C@H](O)CN=c1cc[nH]cc1C#N 1105859519 BZNKGUGPEXKSJB-WCQYABFASA-N 306.366 -0.063 30 20 DBED N#Cc1cnc(NC[C@H](O)CNC(=O)CCc2ccon2)cn1 1106019142 IVUNWKSOLCVJNO-LBPRGKRZSA-N 316.321 -0.142 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)c2cnc(O)n(C)c2=O)C[C@H]1C 1106513885 SSDIREOGSABQFI-VXGBXAGGSA-N 318.377 -0.193 30 20 DBED CN1CCOC[C@@H]1C(=O)NC/C=C\CN=c1cc[nH]c(C#N)n1 1107162799 UXUNWHCSZNUQAB-ZZKXABKFSA-N 316.365 -0.815 30 20 DBED C=C(C)CN1CC(n2cc(CNC(=O)CCNC(N)=O)nn2)C1 1107234458 COXXPQDTVNOKQY-UHFFFAOYSA-N 321.385 -0.615 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@]1(C)CN(CCN2CCNC2=O)CCO1 1107820798 DBAGBGZXPDMHLY-WFASDCNBSA-N 323.397 -0.622 30 20 DBED C#CCCCC(=O)NC[C@@]1(C)CN(CC(=O)NC(N)=O)CCO1 1107901528 ROWFDVZIMNBTFL-HNNXBMFYSA-N 324.381 -0.808 30 20 DBED CCN1CCOC[C@@H]1C(=O)N[C@H](C)CNc1nccnc1C#N 1107994979 VVWDHHLXXWGQPI-DGCLKSJQSA-N 318.381 -0.014 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)c2ccnn2CCOC)C1 1108016206 BXEFNPPIIRIQNG-MRXNPFEDSA-N 320.393 -0.017 30 20 DBED C#CCCN1CCO[C@](C)(CNC(=O)c2cnc(O)n2C)C1 1108118880 DPTPOXRZNRKSOA-OAHLLOKOSA-N 306.366 -0.030 30 20 DBED C[C@@H]1CCCN(C(=O)C(=O)NC[C@@]2(C)CN(CC#N)CCO2)C1 1108262072 CNOUUICJPSOWDQ-CJNGLKHVSA-N 322.409 -0.024 30 20 DBED CC1CCN(C(=O)C(=O)NC[C@@]2(C)CN(CC#N)CCO2)CC1 1108264755 YMOQGCDFBLPPNH-INIZCTEOSA-N 322.409 -0.024 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)[C@H]1CN(C)CCO1 1108303820 ZNOFTXJUAXVAQU-WDEREUQCSA-N 304.354 -0.983 30 20 DBED CC#CCN1CC(N2C[C@H](NC(=O)CCOCC)CC2=O)C1 1108522206 PBBOSFVEOUDJDO-CYBMUJFWSA-N 307.394 -0.162 30 20 DBED CCN(C)C(C)(C)C(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1 1108553497 NHIJVUDGRMXDNM-GFCCVEGCSA-N 321.425 -0.358 30 20 DBED N#CCNC(=O)CN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ncc[nH]1)C2 1108678780 KSGVUJZGJKHSEV-TUAOUCFPSA-N 316.365 -0.368 30 20 DBED C[C@H](CN(C)c1cnc(C#N)cn1)NC(=O)[C@H]1COC(=O)N1 1108926335 AWOZAIPJQRRCAA-PSASIEDQSA-N 304.310 -0.602 30 20 DBED C[C@@H](Nc1cncc(C#N)n1)[C@@H]1CCN(C(=O)CNC(N)=O)C1 1111204891 DABOUJPCPWDZID-NXEZZACHSA-N 317.353 -0.335 30 20 DBED Cc1c[nH]nc1C(=O)N(CCO)CCN=c1cc[nH]c(C#N)n1 1111463825 SHHBZSGNFGHSKA-UHFFFAOYSA-N 315.337 -0.652 30 20 DBED CC(C)[C@@H](F)C(=O)N(CCO)CCN=c1cc[nH]c(C#N)n1 1111539478 JIEDWHMMERNTSR-CYBMUJFWSA-N 309.345 -0.003 30 20 DBED COC[C@@H](C)C(=O)NC[C@@H]1COCCN1c1cncc(C#N)n1 1111666379 ZXADNBFIURFGHH-DGCLKSJQSA-N 319.365 -0.048 30 20 DBED COCC(=O)NC[C@@H]1CN(c2snc(C)c2C#N)C[C@@H]1O 1112693130 XNOGBMQJUMNCBC-KOLCDFICSA-N 310.379 -0.117 30 20 DBED COCCCC(=O)NC[C@@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1112704826 IMEXTYCEMQOMNQ-YPMHNXCESA-N 319.365 -0.312 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)Cc2ccn(C)n2)CC1 1112835702 KOHIGCADBMGYMR-ZDUSSCGKSA-N 317.393 -0.755 30 20 DBED C#CCOCCC(=O)N1CCN(Cc2nnnn2CCC)CC1 1112845128 VOULGUFJOASKDX-UHFFFAOYSA-N 320.397 -0.233 30 20 DBED C[C@H](N=c1cc[nH]c(C#N)n1)[C@H](C)NC(=O)c1cnnc(O)c1 1113195341 BLDQRPWUJOWNGC-IUCAKERBSA-N 313.321 -0.115 30 20 DBED C[C@@H](CNC(=O)Cc1nc[nH]n1)N(C)c1ccnc(C#N)n1 1113715179 ULSJUHVUJUVMAI-VIFPVBQESA-N 300.326 -0.350 30 20 DBED CCNC(=O)CCC(=O)N[C@H]1[C@@H]2CN(CC#CCOC)C[C@@H]21 1114044988 QNBKNLFAGUWRHM-VIKVFOODSA-N 307.394 -0.401 30 20 DBED N#Cc1cccnc1N1C[C@H]2C(CNC(=O)CNC(N)=O)[C@@H]2C1 1114501004 SMHIZZIQWHHVCK-RYUDHWBXSA-N 314.349 -0.580 30 20 DBED CCNC(=O)CC(=O)N[C@H](C)CCCN=c1cc[nH]c(C#N)n1 1114902458 GFWCJKXUFLIDOW-LLVKDONJSA-N 318.381 -0.007 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)NC1[C@@H]2CN(C[C@@H](C)O)C[C@@H]12 1115301751 GQXWLXWWOSOIHM-IJLUTSLNSA-N 324.425 -0.323 30 20 DBED C=CCCOCC(=O)NC1[C@H]2CN(CCn3cncn3)C[C@H]12 1115330743 SHFCHVHOJUAPQN-STQMWFEESA-N 305.382 -0.083 30 20 DBED C=CCO[C@H](C)C(=O)NC1[C@H]2CN(Cc3cnn(C)n3)C[C@H]12 1115332237 LLYOWFZQROJCNF-WXHSDQCUSA-N 305.382 -0.047 30 20 DBED C#CCNC(=O)CC(=O)NCC1(NC[C@@H](C)O)CCCCC1 1115492444 ZVCQFDCBHXWHRK-CYBMUJFWSA-N 309.410 -0.085 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@H](C)c1ncnn1C)[C@H]1CCCO1 1117543086 CWXUEAWZSPKOMB-OUAUKWLOSA-N 305.338 -0.711 30 20 DBED CC[C@]1(C)CN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)CCO1 1118186643 IXHCKJCCYRWXMI-HUUCEWRRSA-N 309.366 -0.109 30 20 DBED COc1ncncc1NC(=O)C(=O)N1CC[C@](O)(CC#N)C1 1118205267 IWIMYYLYSDJGIV-CYBMUJFWSA-N 305.294 -0.699 30 20 DBED C[C@H](NC(=O)C(=O)N1CC[C@](O)(CC#N)C1)[C@@H]1CCCOC1 1118222809 GOYRDAAJKOOGME-YWPYICTPSA-N 309.366 -0.205 30 20 DBED Cc1cc(NC(=O)C(=O)N[C@]2(C)CCNC2)nn1CCC#N 1118526678 YWUIKJSGLSOCEQ-CQSZACIVSA-N 304.354 -0.088 30 20 DBED C=CCO[C@@H]1CCN(S(=O)(=O)CCn2nc(C)oc2=O)C1 1119609200 JVBBXTYUASQZJY-LLVKDONJSA-N 317.367 -0.249 30 20 DBED N#Cc1nc(=N[C@H](CO)CNC(=O)[C@H]2CCCCO2)cc[nH]1 1121455282 OYIGPTSZYARUGW-WDEREUQCSA-N 305.338 -0.772 30 20 DBED Cc1nc[nH]c1CC(=O)NC[C@H](CO)Nc1cncc(C#N)n1 1121859745 BSNXZSSNNXECIJ-LLVKDONJSA-N 315.337 -0.489 30 20 DBED CCn1cc(C(=O)NC[C@@H](CO)Nc2cncc(C#N)n2)nn1 1121928494 OUTFSSSYKILCDU-JTQLQIEISA-N 316.325 -0.838 30 20 DBED N#Cc1cccnc1N[C@@H](CO)CNC(=O)[C@H]1CCCNC1=O 1122146968 GNEMTZVMOKMGSD-NEPJUHHUSA-N 317.349 -0.632 30 20 DBED CN(C[C@@H](O)CN(C)c1ccnc(C#N)n1)C(=O)c1nc[nH]n1 1125140005 STYGPOOYOIKKQQ-VIFPVBQESA-N 316.325 -0.964 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C[C@H](O)CN(C)c1cnc(F)cn1 1125161580 KPECLQJDEAVQRS-VXGBXAGGSA-N 324.356 -0.091 30 20 DBED N#Cc1cc(C(=O)NCCNC[C@@H](O)Cn2cccn2)c[nH]1 1125977715 DSSPHYILSAVNDT-CYBMUJFWSA-N 302.338 -0.537 30 20 DBED C#CCNC(=O)CC(=O)NCCNCc1cc(C2CC2)no1 1125997698 CWKHZRLKPQQXFX-UHFFFAOYSA-N 304.350 -0.103 30 20 DBED CC#CCN[C@@H]1CN(C(=O)c2n[nH]cc2F)C[C@@H]1n1ccnn1 1129997636 VRCXJNMWSZAARP-NEPJUHHUSA-N 317.328 -0.181 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@H](C)CC(N)=O)C[C@H]1c1cncn1C 1131044167 QYVPIBFHYYXBCN-JHJVBQTASA-N 317.393 -0.551 30 20 DBED CNC(=O)CC(=O)NCc1nc([C@H]2C[C@H](F)CN2CC#N)n[nH]1 1131149014 QQHAXICOLLZWPQ-DTWKUNHWSA-N 323.332 -0.835 30 20 DBED CN(C)CCCC(=O)N1CCC(=O)NCCN(CC#N)CC1 1131378909 LQRHXXRPGMCUHM-UHFFFAOYSA-N 309.414 -0.498 30 20 DBED C=CCNC(=O)CNCCNC(=O)CCCCc1cnn[nH]1 1131777566 OIYIETLYKLQWSC-UHFFFAOYSA-N 308.386 -0.475 30 20 DBED C#CCOCCC(=O)N[C@H]1CC[C@H](C)N(CC(=O)NC(N)=O)C1 1132029275 JVXNWZSNURRVFR-RYUDHWBXSA-N 324.381 -0.810 30 20 DBED C#CCNC(=O)CNC[C@H]1CN(C(=O)CCN(C)C)CC[C@H]1C 1133090195 DHVOFQJEJAGQMB-CABCVRRESA-N 322.453 -0.238 30 20 DBED C[C@@H](C[C@H](C)NC(=O)Cc1ccon1)NCC(=O)NCC#N 1133990277 RKKWRQHAEDTSNS-QWRGUYRKSA-N 307.354 -0.270 30 20 DBED COCC#CCN[C@@H](C)C[C@H](C)NC(=O)Cn1ncn(C)c1=O 1134787695 OCRNYDVHNDZOKN-STQMWFEESA-N 323.397 -0.896 30 20 DBED C=CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)CCc1cnn[nH]1 1135496785 LRSNQFIFWCFFEQ-NWDGAFQWSA-N 322.413 -0.088 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)CCN(C)CC 1135858503 YVHYTLGLMRDYRX-KBPBESRZSA-N 310.442 -0.050 30 20 DBED C[C@H](C[C@@H](C)NC(=O)CCCN1C(=O)CNC1=O)NCC#N 1146216177 ISVDBZJYEVDPOJ-GHMZBOCLSA-N 309.370 -0.285 30 20 DBED CCOCCNC(=O)CN1CCC2(C1)CN(C(=O)[C@@H](C)C#N)C2 1147212322 QOGYHHKSITULLK-ZDUSSCGKSA-N 322.409 -0.167 30 20 DBED C#CCCCC(=O)N1CC2(CCN([C@H](C)C(=O)NC(N)=O)C2)C1 1147461949 ISFGPJHPBSVUOL-GFCCVEGCSA-N 320.393 -0.092 30 20 DBED COCC#CCN1CCC2(C1)CN(C(=O)c1nnn(C)n1)C2 1148053132 MLOSJIKWQKPVQK-UHFFFAOYSA-N 304.354 -0.992 30 20 DBED C=CCN1CCC2(C1)CN(C(=O)C[C@H](NC(C)=O)C(N)=O)C2 1148391641 UJFIUFODQFWPLO-LBPRGKRZSA-N 308.382 -0.913 30 20 DBED C[C@@H]1OCC[C@@H]1C(=O)N1CC2(CCN(CC(=O)NCC#N)C2)C1 1148488191 OALCRSRMXRVNOK-STQMWFEESA-N 320.393 -0.415 30 20 DBED C=CCN1CCCO[C@@H](CNC(=O)CN2CCN(C)C(=O)C2)C1 1149936538 HXOBLZURBNPLBZ-AWEZNQCLSA-N 324.425 -0.847 30 20 DBED CC#CCN1CCCO[C@H](CNC(=O)[C@@]2(C)CCNC2=O)C1 1150318531 QZGDAQDDZKVYAZ-CJNGLKHVSA-N 307.394 -0.257 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@@H](NC(C)=O)[C@@H](C)CC 1151889040 AZJYBHWARRBYCI-OBJOEFQTSA-N 324.425 -0.619 30 20 DBED C=CCOCC(=O)NCCCNCC(=O)NCCCOC 1155731719 GCPACCUQUUJWNN-UHFFFAOYSA-N 301.387 -0.562 30 20 DBED C#CCNC(=O)CC(=O)NCCCNCc1ccc(F)cn1 1156857499 RDWNGTVHFMOHRL-UHFFFAOYSA-N 306.341 -0.044 30 20 DBED C#CCN(C)C[C@H]1CCCCN1C(=O)CNC(=O)CNC(C)=O 1158141777 DMJNXEHYDUUOHN-CQSZACIVSA-N 322.409 -0.815 30 20 DBED C[C@@H](C#N)C(=O)NCCC1(CN[C@H](C)C(=O)NC(N)=O)CC1 1163841370 OAEYBMRAKLAUFZ-VHSXEESVSA-N 309.370 -0.394 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)c1c[nH]c(=O)cn1 1165318387 KWULVFYIXMVKIT-JTQLQIEISA-N 307.354 -0.830 30 20 DBED N#CCNCC1(CCNC(=O)Cn2ccc(O)nc2=O)CC1 1166019905 OJHWLZMPOVOFHG-UHFFFAOYSA-N 305.338 -0.651 30 20 DBED C[C@@H](CCCCNCCN1C(=O)CNC1=O)NC(=O)[C@H](C)C#N 1169830475 AFJDVEIZODLUKO-NEPJUHHUSA-N 323.397 -0.038 30 20 DBED CCC(=O)N1CC[C@@H](C(=O)NCCCNCC#CCOC)C1 1170369744 NTIIEAPXGCEKQI-CQSZACIVSA-N 309.410 -0.009 30 20 DBED CCS(=O)(=O)CC(=O)N1CC[C@H]2OCCN(CC#N)[C@H]2C1 1177151860 WBDOJBNLLGONKK-NWDGAFQWSA-N 315.395 -0.754 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)C[C@H]2COC(=O)C2)[C@H]1C 1178467796 PDAXFRTWKHCHDI-XQQFMLRXSA-N 321.377 -0.732 30 20 DBED C=CCNCCCCCCNC(=O)c1cn(CC(N)=O)nn1 1180369445 GFYYITSGPXRQML-UHFFFAOYSA-N 308.386 -0.171 30 20 DBED C=CCOCCN[C@@H]1CCN(C(=O)CCn2ncn(C)c2=O)C1 1184542860 ADGOVINQUOKXLU-CYBMUJFWSA-N 323.397 -0.635 30 20 DBED C[C@@H](CC(N)=O)C(=O)N1C[C@@H](CNCC#N)C2(CCOCC2)C1 1186446221 YMUOKVMFRHGYRR-QWHCGFSZSA-N 322.409 -0.134 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@@H]1CCN(C(=O)c2cnsn2)C1 1189058824 JVLSUSZQYFUFLH-GHMZBOCLSA-N 321.406 -0.178 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CN(Cc2ccnc(N(C)C)c2)C[C@H]1O 1191854746 QZINLWCHDCYVOE-MRVWCRGKSA-N 317.393 -0.031 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(Cc2n[nH]c(C)n2)C[C@H]1O 1192530661 PKPRGGOOAJCXCE-JTNHKYCSSA-N 309.370 -0.898 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2c(C)n[nH]c2C)C1 1192889268 UHANBIYALVACPR-ZDUSSCGKSA-N 317.393 -0.078 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 1194041221 VTNAUYBXUFOCAQ-HUUCEWRRSA-N 320.437 -0.247 30 20 DBED C=CCCCN(C)[C@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 1194256448 QRCJIQBWQDDLSL-LBPRGKRZSA-N 320.397 -0.124 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCCN(C(=O)[C@@H]2CCOC2)CC1 1195088916 GMFMNXNICAVCLY-ZIAGYGMSSA-N 307.394 -0.305 30 20 DBED C=CCCC1(C(=O)N[C@@H]2CN([C@@H]3CCNC3=O)C[C@H]2O)CC1 1195906179 SACLUQUHIQVPNP-JHJVBQTASA-N 307.394 -0.217 30 20 DBED C=C(Cl)CN1CCCN(C(=O)CNS(=O)(=O)NC)CC1 1196655121 AYYQFHKWSJYWKC-UHFFFAOYSA-N 324.834 -0.673 30 20 DBED C[C@H](C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1O)C1CCCC1 1197650398 OBGQREPVSBCJBX-IACUBPJLSA-N 322.409 -0.386 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)[C@@H](CCCC)NC(N)=O)C1 1199345722 OZZTXPVRCUSJDK-JHJVBQTASA-N 312.414 -0.049 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)CNC(=O)CCC)CC1 1199576043 FJSZVHISUXKVTE-UHFFFAOYSA-N 322.409 -0.767 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)c2ccn(C)n2)CC1 1203698801 ATPFZGAIAFNWCF-UHFFFAOYSA-N 303.366 -0.636 30 20 DBED CC#CCNCC1CCN(C(=O)CN(C)S(C)(=O)=O)CC1 1205418837 YETQSVAOKLAIPI-UHFFFAOYSA-N 315.439 -0.271 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)CC2OCCCO2)[C@H](C)C1 1206899136 WASMVUHKSXYTKS-CHWSQXEVSA-N 323.393 -0.675 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2nncn2C)C[C@H]1C 1206963922 RLFYWGBGUIPCSF-JHJVBQTASA-N 305.382 -0.210 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)c2cccnn2)C1 1210253020 FZNPGBKTSMSOFV-LBPRGKRZSA-N 301.350 -0.580 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@H](Cn2cccn2)N(C)C)[C@H](OC)C1 1212406418 RRDRUEFBVOJGKG-QLFBSQMISA-N 319.409 -0.738 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)c2nnn(C)c2C)C[C@H]1C 1214382226 JRKPDYCNSHKYBY-ZYHUDNBSSA-N 320.397 -0.524 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)c2cn(C)cn2)C[C@H]1C 1214437730 USOXLSMRFQLLCU-VXGBXAGGSA-N 305.382 -0.228 30 20 DBED C=CCN[C@@H]1CN(C(=O)[C@H](CCC(N)=O)NC(C)=O)C[C@H]1C 1215945501 XSPZCEKVUIEDGB-KGYLQXTDSA-N 310.398 -0.621 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(C[C@H]2CCc3ncnn32)C[C@@H]1O 1219539220 APLZFDCIENWOCW-MCIONIFRSA-N 317.393 -0.270 30 20 DBED C#CCCCC(=O)N[C@@H]1CN([C@H](C)c2nnnn2C)C[C@@H]1O 1219539605 SOMDTAQXUSELJZ-UTUOFQBUSA-N 306.370 -0.764 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2nc(CC)no2)C[C@@H]1O 1219611771 IOYIOPVSRAKQJG-NEPJUHHUSA-N 322.365 -0.667 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@](C)(NC(C)=O)C(C)C)C1 1221129396 CKSWCPFFZSUHPY-IJEWVQPXSA-N 309.410 -0.278 30 20 DBED COCC#CCN1CC[C@@H]2CN(C(=O)[C@@H]3CC(=O)N(C)C3)[C@@H]2C1 1221587045 XADBKEFQQYPSNS-RBSFLKMASA-N 319.405 -0.353 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)OCC#C 1226187484 KSVMQIKWBRDNIX-RRFJBIMHSA-N 319.405 -0.209 30 20 DBED CCO[C@@H](CC)C(=O)N(C)C[C@H]1CCN1CC(=O)NCC#N 1230958242 NCWKGWQDLBNPKM-OLZOCXBDSA-N 310.398 -0.026 30 20 DBED CO[C@H](C)CCC(=O)N(C)C[C@@H]1CCN1CC(=O)NCC#N 1233827676 KETCSDRPRBEHLS-OLZOCXBDSA-N 310.398 -0.026 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@@H]1CN(C)C(=O)c1ncn(C)n1 1234059750 PCIGSFUKJKBTGB-NWDGAFQWSA-N 318.381 -0.901 30 20 DBED C=C(C)COCCNC(=O)C(=O)N(C)[C@H](C)CS(C)(=O)=O 1261164060 FMVVXWIJZOKACO-LLVKDONJSA-N 320.411 -0.413 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1 1265307572 BEHXFILVURLUSX-LBPRGKRZSA-N 309.366 -0.568 30 20 DBED N#CCCN(Cc1ccccn1)C(=O)CN1C(=O)CNC1=O 1318502094 IJYREWMTOWEWBI-UHFFFAOYSA-N 301.306 -0.124 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 1321003505 KAVJKPFBFLFJFJ-OCCSQVGLSA-N 316.423 -0.355 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CC[C@H](N2CCCC2=O)C1 1323527326 FFVKBNSUIWURSB-NEPJUHHUSA-N 309.366 -0.473 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N(CCN(C)C)C(C)C)nn1 1325986071 FYAYPZSZKLJCQT-UHFFFAOYSA-N 322.413 -0.121 30 20 DBED C=CCOC[C@H](NC(=O)CN1CCC(CO)CC1)C(=O)OC 1337218513 JHZKIQHZNDIPFP-ZDUSSCGKSA-N 314.382 -0.449 30 20 DBED C=C(C)Cn1c([C@@H]2CCC(=O)NC2)nnc1N1CCNC(=O)C1 1342294483 UNASUNOWAJCSSR-LLVKDONJSA-N 318.381 -0.216 30 20 DBED C#C[C@H](NC(=O)C1(CS(C)(=O)=O)COC1)C1CCOCC1 1352444465 XNLIDAOSPAQAGO-LBPRGKRZSA-N 315.391 -0.408 30 20 DBED N#Cc1ncn(CC(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)n1 1362713655 NNRNSLRYGQAFNB-NWDGAFQWSA-N 324.344 -0.043 30 20 DBED CC(C)[C@@H](O)C(C)(C)CNC(=O)Cn1cc(C#N)c(O)nc1=O 1362816295 SUQHLKNWVIQYAY-GFCCVEGCSA-N 322.365 -0.020 30 20 DBED N#Cc1cn(CCNC(=O)c2ncccc2F)c(=O)nc1O 1363485240 WOUFYEBWVITNPZ-UHFFFAOYSA-N 303.253 -0.215 30 20 DBED CCNC(=O)CN1CCN(CCN(C)C(=O)[C@H](C)C#N)CC1 1373251853 RHNLWGXIDXHCHC-CYBMUJFWSA-N 309.414 -0.642 30 20 DBED CCN(CCC#N)C(=O)CN1CCN(CCN(C)C(C)=O)CC1 1373256364 ZULAWXMXMPZUAT-UHFFFAOYSA-N 323.441 -0.156 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CCN(C(=O)c2cc(=O)n(C)cn2)C1 1397152347 XQWMWFREENPVSF-UWVGGRQHSA-N 303.322 -0.729 30 20 DBED COCCN(CCNC(=O)[C@@H](C)C#N)C(=O)c1cnc(O)n1C 1405760552 MJBVHNKPPONLBS-JTQLQIEISA-N 323.353 -0.510 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNCC(=O)Nc1ccccc1 1406205729 HCCHAYBGSOGOAF-YPMHNXCESA-N 304.350 -0.149 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CCN(C(=O)c2cn(C)c(=O)n2C)C1 1408391695 OCKBTYOLUOBGHE-MNOVXSKESA-N 319.365 -0.538 30 20 DBED CN(CCN(C)C(=O)c1c[nH]c(C#N)c1)C(=O)Cn1cnnn1 1409954846 YDXRMOXYLDCVOM-UHFFFAOYSA-N 316.325 -0.897 30 20 DBED Cn1cc(C2=NO[C@@H](C(=O)N3CC[C@](O)(CC#N)C3)C2)cn1 1412276052 NQTBKLNKWYBSBT-TZMCWYRMSA-N 303.322 -0.210 30 20 DBED C[C@H]1CN(C(=O)CN[C@H]2C[C@H](CNC(=O)[C@H](C)C#N)C2)CCO1 1418690968 XPXMKCGNJDUXRJ-XJFOESAGSA-N 322.409 -0.122 30 20 DBED C[C@H](C#N)C(=O)NCC1CN(CC(=O)NC2CCOCC2)C1 1419011033 QRAOWFGNTQCUFN-LLVKDONJSA-N 308.382 -0.511 30 20 DBED CCCNC(=O)CNC[C@@H](O)CNC(=O)c1cc(C#N)c[nH]1 1420113848 PBPWZQJVDLAKAQ-LLVKDONJSA-N 307.354 -0.907 30 20 DBED Cc1cnc2nc(C(=O)N[C@@H](C)CNC(=O)[C@H](C)C#N)nn2c1 1433559291 KNZAGYVKLQAWHE-ZJUUUORDSA-N 315.337 -0.173 30 20 DBED CC[C@H](CNC(=O)c1cnnn1C)NC(=O)c1c[nH]c(C#N)c1 1456789531 QQBUHWFSDSKAIG-SNVBAGLBSA-N 315.337 -0.047 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@H]1CCN(CCN2CCNC2=O)C1 1481687751 YBBNJFDLCRBHAK-WFASDCNBSA-N 310.398 -0.471 30 20 DBED C#CCOCCC(=O)N1CC[C@H](NCC(=O)N2CCOCC2)C1 1490824863 RHTQXNVTKZJIOS-AWEZNQCLSA-N 323.393 -0.924 30 20 DBED COCCN(CCNC(=O)[C@@H](C)C#N)C(=O)[C@H]1CC(=O)N(C)C1 1511865851 DWSXKNXGUHPLCJ-RYUDHWBXSA-N 324.381 -0.784 30 20 DBED CCN(C(=O)[C@H](C)C#N)[C@H](C)CNC(=O)Cn1ncn(C)c1=O 1512437815 WWXCFOMYURJVQO-GHMZBOCLSA-N 322.369 -0.905 30 20 DBED C[C@H](C#N)C(=O)NC1CC2(C1)CC(NC(=O)[C@H]1COC(=O)N1)C2 1522482010 NROHZUALKCJLEE-USDJPYENSA-N 320.349 -0.202 30 20 DBED C[C@@]12CN(C(=O)[C@@H](N)CCCCC#N)C[C@]1(C)C(=O)NC2=O 1576552854 FQANCVJNVYAGPK-NZVBXONLSA-N 306.366 -0.091 30 20 DBED COC(=O)[C@@H](Cc1cnn[nH]1)NS(=O)(=O)CCCCC#N 1576912307 ANUYHGMRAOCYLB-SNVBAGLBSA-N 315.355 -0.498 30 20 DBED CN(C)c1cc(C#N)cc(C(=O)N2CC(=O)NCC23CNC3)c1 1578423307 AJUSPKZPUSSIGV-UHFFFAOYSA-N 313.361 -0.462 30 20 DBED C#CCN(CC(=O)O)[C@@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 1588420175 ORHXOZXPBWUOED-WDEREUQCSA-N 316.379 -0.960 30 20 DBED C=CCS(=O)(=O)CCNC(=O)c1cnccc1-c1nn[nH]n1 1588688309 CLALJOUVBDOYPL-UHFFFAOYSA-N 322.350 -0.408 30 20 DBED CO[C@@H](Cn1c(N)nc(C#N)c1-c1nn[nH]n1)[C@H]1CCOC1 1591334867 XAOACWITXNAQPS-CBAPKCEASA-N 304.314 -0.431 30 20 DBED N#Cc1cccc(CC(=O)N2CCN(C(=O)C(=O)O)CC2)c1 1594625508 KOMKRBSMNKEZEB-UHFFFAOYSA-N 301.302 -0.144 30 20 DBED COCC[C@@](C)(C#N)NC(=O)Cn1cccc(C(=O)O)c1=O 1599206931 FBEQZBIKOINRJW-AWEZNQCLSA-N 307.306 -0.019 30 20 DBED C[C@@H]1CN(S(=O)(=O)N2CCO[C@H](C#N)C2)C[C@H]1C(=O)O 1599867945 HBGUNNMSCDEFIS-OPRDCNLKSA-N 303.340 -0.892 30 20 DBED CN1CCN(S(=O)(=O)c2cccnc2C#N)C[C@H](C(=O)O)C1 1610138051 POXFANNMJNCHPK-SNVBAGLBSA-N 324.362 -0.410 30 20 DBED C#CCN1CCN(CCNC(=O)Cn2ccc(C)cc2=O)CC1 1752375095 SIVJESSAORLSDU-UHFFFAOYSA-N 316.405 -0.476 30 20 DBED C=CCN1CC[C@@H](N[C@@H](CNC(=O)CC(N)=O)C2CC2)C1=O 1752448565 GVUMUPCIJOLXNW-NEPJUHHUSA-N 308.382 -0.867 30 20 DBED COc1c(O)nc(O)nc1C(=O)NC[C@@H](NCC#N)C1CC1 1752490427 IEMMAFNQUVICPF-MRVPVSSYSA-N 307.310 -0.482 30 20 DBED C=CCNC(=O)CNC[C@H]1CCN(C(=O)[C@H]2CN(C)CCO2)C1 1752933910 DOHVUHAOSSHOAN-ZIAGYGMSSA-N 324.425 -0.943 30 20 DBED N#CCNC(=O)CN1CC[C@H](CNC(=O)C23CCN(CC2)C3)C1 1753137486 KOAAFTKVZZNGIO-CYBMUJFWSA-N 319.409 -0.840 30 20 DBED CN(C(=O)c1ccnn1C)[C@@H]1CCN(CC(=O)NCC#N)C1 1753433262 FOAJUCJKRLFTIU-LLVKDONJSA-N 304.354 -0.794 30 20 DBED CCc1ocnc1C(=O)NC[C@@H]1CCN1CC(=O)NCC#N 1754477854 MTLYADDZGSEVHS-JTQLQIEISA-N 305.338 -0.319 30 20 DBED CCC[C@@H](C)C(=O)NC[C@@]1(O)CCN(CC(=O)NCC#N)C1 1754749081 AXWRKXCYDWFXKP-DOMZBBRYSA-N 310.398 -0.385 30 20 DBED CNC(=O)NC(=O)CN1CC([C@@H](C)NC(=O)C#CC(C)(C)C)C1 1755375242 XJQLCPJOEBKDTK-LLVKDONJSA-N 322.409 -0.072 30 20 DBED Cn1nncc1CN1C[C@H]2[C@H](CNC(=O)CSCC#N)[C@H]2C1 1755418047 NHUSKZRIHDDTAL-XYYAHUGASA-N 320.422 -0.134 30 20 DBED C[C@@H](CN(C)C(=O)c1cn(C[C@@H]2CCOC2)nn1)NCC#N 1755611267 NXPUXZYICGXUFC-RYUDHWBXSA-N 306.370 -0.112 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2cnnc(O)c2)[C@H]1C 1755656299 LPNZODJONHDYAK-CMPLNLGQSA-N 317.349 -0.876 30 20 DBED C=CCOCC(=O)NC1CC(CNC(=O)Cn2nccn2)C1 1755930947 FFGNGWUQHHOWID-UHFFFAOYSA-N 307.354 -0.508 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(C(=O)Cn2cnnn2)CC1(C)C 1756176688 OWPRDEWRSLDHDJ-GFCCVEGCSA-N 318.381 -0.314 30 20 DBED C=CCCC(=O)NCC1[C@@H]2CN(C(=O)CCNC(N)=O)C[C@@H]12 1756193664 UFWHKNBUKVPPEB-RYUDHWBXSA-N 308.382 -0.168 30 20 DBED CC(C)C#CC(=O)N[C@H]1C[C@H](CNC(=O)[C@H]2CCNC2=O)C1 1756249915 ZNIPJRSAEZOLFE-AVGNSLFASA-N 305.378 -0.207 30 20 DBED CCc1nc(C(=O)NC[C@H](CO)NC(=O)C#CC2CC2)co1 1756513812 MVNPSHKSINWWJU-LLVKDONJSA-N 305.334 -0.143 30 20 DBED CCOc1cc(C(=O)N[C@@H](CO)CNC(=O)C#CC2CC2)[nH]n1 1756519671 NMJUUUHYQZEGOY-LLVKDONJSA-N 320.349 -0.571 30 20 DBED COCCN(CCNC(=O)C#CC1CC1)C(=O)[C@H]1CCC(=O)N1 1756726415 GSHXYTMKDOPSBC-CYBMUJFWSA-N 321.377 -0.730 30 20 DBED Cc1cc(C(=O)N2C[C@H](O)[C@H](NC(=O)C#CC3CC3)C2)on1 1757170993 CHVUXCKLRYZWSX-NEPJUHHUSA-N 303.318 -0.302 30 20 DBED COCCOCCC(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 1757187663 XDIKZBBPUMVILR-KGLIPLIRSA-N 324.377 -0.859 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)NC(C)=O)C[C@@H]2O)C1 1757208686 AFRJZXRFQPNLPB-RTXFEEFZSA-N 323.393 -0.445 30 20 DBED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)n3ccnn3)C2)C1 1782762388 HUCCPEJGQKUNKR-DOMZBBRYSA-N 317.349 -0.698 30 20 DBED C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3cncc(O)c3)C2)C1 1783623467 OOBRYDUAUDYLNA-MRXNPFEDSA-N 315.329 -0.136 30 20 DBED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCCC3)C[C@@H]21 1790789190 WPKIPYOSNRAXDA-KKUMJFAQSA-N 319.405 -0.305 30 20 DBED N#CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCCO1)C2 1795084488 YAELBFOUDHPUIF-OPDFLTKYSA-N 307.350 -0.331 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1nc(C)no1)C2 1800451883 LPZBWMCXENWLGF-QHBPRCKVSA-N 318.333 -0.857 30 20 DBED C#CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)C(=O)N(C)C)CC2 1825015571 SDIXQOSRUYMTPD-MRVPVSSYSA-N 320.374 -0.224 30 20 DBED C#CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)CCC(N)=O)CC2 1825024471 MWPRTCFBVUESPM-MRVPVSSYSA-N 320.374 -0.046 30 20 DBED C[C@H](C(=O)N(C)CCC#N)N1CCN(C(=O)CN(C)C)CC1 51762851 ATQXBPSJPZQVPR-CYBMUJFWSA-N 309.414 -0.547 30 20 DBED C[C@@H](C(=O)N(C)CCC#N)N1CCN(CC(=O)NC2CC2)CC1 72878550 VRCKPOCFXUCNCX-ZDUSSCGKSA-N 321.425 -0.357 30 20 DBED CCN(C[C@@H](C)C#N)C(=O)CNS(=O)(=O)c1cn(C)cn1 129452938 CCAZFJJDRVMVAT-JTQLQIEISA-N 313.383 -0.293 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 131370708 OSLMYTQUEGSMHD-GXTWGEPZSA-N 306.410 -0.462 30 20 DBED COc1ccccc1CN/C(N)=N/C[C@H](O)CN1CCOCC1 170907644 UNCPDQMTFSYWSV-AWEZNQCLSA-N 322.409 -0.207 30 20 DBED N#Cc1cccc(S(=O)(=O)NC[C@@H]2CN3CCN2CC3)c1 179058001 YLRRBRFFQCHSFL-CYBMUJFWSA-N 306.391 -0.164 30 20 DBED C#CC[C@@H](NC(=O)[C@H]1CCCCN1S(C)(=O)=O)C(=O)O 227514621 RFOXYKIZQGDNAV-NXEZZACHSA-N 302.352 -0.607 30 20 DBED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCOC[C@H]2C#N)CC1 246114190 QAIRLVPMYSWNTB-CABCVRRESA-N 319.409 -0.097 30 20 DBED CC(C)N1C(=O)C[C@@H](NS(=O)(=O)c2ccc(C#N)nc2)C1=O 267633489 OMBKRYGUYHYPRV-LLVKDONJSA-N 322.346 -0.233 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCCC[C@@H]2CCO)C1=O 270510796 OSMTYANILCBATQ-LLVKDONJSA-N 323.349 -0.273 30 20 DBED C=CCOCCCC(=O)Nc1cnn(CC(=O)NCCO)c1 272282320 UHUYFQXUDMMQGH-UHFFFAOYSA-N 310.354 -0.087 30 20 DBED CN(C)c1cc(C#N)cc(C(=O)N2CCN(CC(N)=O)CC2)c1 292990744 RXGACJIFELEUCO-UHFFFAOYSA-N 315.377 -0.133 30 20 DBED COCCN1CCC[C@@H]1C/N=C(/O)c1cn(C)c(=O)nc1O 328845510 AGYKAUSZWUDPQM-SNVBAGLBSA-N 310.354 -0.099 30 20 DBED CN1CCO[C@@H]2CN(/C(O)=N/C[C@H]3CCCS3(=O)=O)C[C@@H]21 329701470 HJXBEJVOCHVXLY-GRYCIOLGSA-N 317.411 -0.508 30 20 DBED C[C@H](O)CN1CCN(/C(O)=N/C[C@@H]2COCCO2)C[C@@H]1C 329771222 GQUFXGBPMGYSEX-RWMBFGLXSA-N 301.387 -0.297 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@@H](CO)c1cnn(C)c1 330371394 IVGPFDWUGKDLRN-JQWIXIFHSA-N 315.399 -0.231 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)CN2CCCCC2=O)CC1 330531822 PIZLGODANJJOHB-UHFFFAOYSA-N 322.409 -0.555 30 20 DBED CCN1CCC[C@@H]1CNS(=O)(=O)N1CCO[C@@H](C#N)C1 336897333 OJBYWYAGHWHGPQ-NEPJUHHUSA-N 302.400 -0.471 30 20 DBED CCN(CCC#N)S(=O)(=O)NCC(=O)NCC(F)(F)F 336927280 XXXNTXWLPLUOQE-UHFFFAOYSA-N 316.305 -0.265 30 20 DBED CO[C@@]1(C)CCCN(S(=O)(=O)N2CCO[C@H](C#N)C2)C1 337192022 SXLQUZYYDNXQNQ-NEPJUHHUSA-N 303.384 -0.044 30 20 DBED Cn1cc(NC(=O)C(=O)NCCOc2ccc(C#N)cc2)nn1 340069248 QPFDJRYDODTEKR-UHFFFAOYSA-N 314.305 -0.180 30 20 DBED C[C@@H]1CCN(S(=O)(=O)CCCS(=O)(=O)N(C)CC#N)C1 349499764 GHWQPRGUAORRCO-LLVKDONJSA-N 323.440 -0.167 30 20 DBED C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)S(=O)(=O)N(C)CCC#N 354545786 XXFQMCXNKCKUGA-VHSXEESVSA-N 311.429 -0.170 30 20 DBED N#CCC1(O)CN(C(=O)[C@@H]2CC[C@H](C(F)(F)F)NC2=O)C1 372710538 DDNBTYHEAWTFOZ-HTQZYQBOSA-N 305.256 -0.070 30 20 DBED CCOC(=O)[C@H](CO)NS(=O)(=O)c1ccc(C#N)c(F)c1 489701422 JUPTWEVRPIGVKI-NSHDSACASA-N 316.310 -0.100 30 20 DBED C#CCN1CCN(C(=O)CN2CCC(CC(=O)NC)CC2)CC1 490739440 DMVXXGSQCICNSM-UHFFFAOYSA-N 320.437 -0.388 30 20 DBED C#CCN(CC(=O)NCCCN(C)S(C)(=O)=O)C1CC1 491420281 WXJWGYGYDXEHES-UHFFFAOYSA-N 301.412 -0.518 30 20 DBED Cc1cccc(S(=O)(=O)NCC(=O)N2CCNCC2)c1C#N 574691286 UKZUXQDAUXJIAZ-UHFFFAOYSA-N 322.390 -0.423 30 20 DBED COc1cc(C#N)ccc1NC(=O)C(=O)N1C[C@@H](O)[C@H](OC)C1 583607170 ZJQCQDWMDQCYCR-DGCLKSJQSA-N 319.317 -0.277 30 20 DBED N#CCNC(=O)CNC(=O)[C@@H]1CCCN1Cc1ccccn1 588078058 MGYSTXPQSHEEGU-ZDUSSCGKSA-N 301.350 -0.198 30 20 DBED CC1(C(=O)O)CCN(C(=O)C(=O)N2CCO[C@H](C#N)C2)CC1 592427786 BNGWBIOSMILTDU-SNVBAGLBSA-N 309.322 -0.549 30 20 DBED C[C@H](O)C1(NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC1 595202833 GRUKTWVNPUBUEW-VIFPVBQESA-N 319.365 0.478 30 20 DBED Cc1cc(N[C@H]2CNC(=O)C2)c(C#N)c(N[C@H]2CNC(=O)C2)n1 596185638 ZHEJAPBENNJVQW-NXEZZACHSA-N 314.349 -0.138 30 20 DBED CN(CC(C)(C)C#N)C(=O)[C@@H]1CCCN(S(N)(=O)=O)C1 597695782 ZBGBSUJWJAXRCL-SNVBAGLBSA-N 302.400 -0.090 30 20 DBED C[C@@H](NC(=O)C(=O)N1CCN(CCC#N)CC1)c1cnn(C)c1 602248904 YCLWNFKDJADCGM-GFCCVEGCSA-N 318.381 -0.345 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)c2ccc(C(N)=O)[nH]2)CC1 623604311 SJEYPNCPDDIIRQ-UHFFFAOYSA-N 319.365 -0.826 30 20 DBED C=CCCn1cc(CNS(=O)(=O)N2CCCOCC2)nn1 632634992 BPJCKYWCMFYXTR-UHFFFAOYSA-N 315.399 -0.089 30 20 DBED C=CCCn1cc(CNS(=O)(=O)C(COC)COC)nn1 641637719 PVZBJHJOXIKNIC-UHFFFAOYSA-N 318.399 -0.065 30 20 DBED CC#CC[C@H](CO)NC(=O)c1cc(N2CCNC(=O)C2)ccn1 649183332 QKZKGSHJTQXRQQ-GFCCVEGCSA-N 316.361 -0.478 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(C[C@H](C)O)C2CC2)C1=O 655377386 DAGRMESIENGPGK-VIFPVBQESA-N 309.322 -0.665 30 20 DBED CNC(=O)CNC(=S)NN=Cc1ccc(N(C)CCO)cc1 731927336 SGAITRWNMYEVFC-UHFFFAOYSA-N 323.422 -0.341 30 20 DBED C#CCC[C@@H](O)CNC(=O)Cn1nnc2ccccc2c1=O 799074030 YQZIWGZJSQVNTI-LLVKDONJSA-N 300.318 -0.318 30 20 DBED CC(=O)N[C@@H](C)C(=O)OCc1cc(O)n2ncc(C#N)c2n1 801187113 AKWRRGMZGLMHRN-ZETCQYMHSA-N 303.278 -0.126 30 20 DBED C#CCNC(=O)[C@@H](C)OC(=O)[C@@H]1COCCN1CC(F)(F)F 801340761 NMNPSCJSROPGSU-ZJUUUORDSA-N 322.283 -0.069 30 20 DBED N#Cc1ccc(NCCNC(=O)C(=O)NCc2ccon2)nc1 806394038 AKJIVMBSFFPXFS-UHFFFAOYSA-N 314.305 -0.214 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@H](C)CO[C@H]1CCOC1)[C@H]1CCCO1 808279800 WHXNFMXUGRYHMS-ZOBORPQBSA-N 324.377 -0.406 30 20 DBED C#CCCS(=O)(=O)NC(=O)c1c(C)oc2ncn(C)c(=O)c12 810781354 PEPIFBKCGWKYBO-UHFFFAOYSA-N 323.330 -0.082 30 20 DBED COC(=O)CN(CC#N)S(=O)(=O)c1cc(C(=O)O)n(C)c1 831165133 YKTKMIPVOUALCT-UHFFFAOYSA-N 315.307 -0.589 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)COC(C)(C)C)CC1 831568231 AYOAFFZSKLWHAJ-UHFFFAOYSA-N 317.411 -0.587 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](CCC)OC)CC1 831574691 MQORKSTUVUVCGS-GFCCVEGCSA-N 317.411 -0.587 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N(C)C[C@H](O)C(F)(F)F 875596942 WVUGBCFKDYDUJY-UWVGGRQHSA-N 324.299 -0.087 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](N(C)C(=O)C2CC(=O)NC(=O)C2)C1 939396623 KKGYSHJIWCKZEP-MWLCHTKSSA-N 320.349 -0.742 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](NC(=O)c2nccnc2C(N)=O)C1 940359162 BFWQQGQQGJFSSA-RKDXNWHRSA-N 316.321 -0.934 30 20 DBED CN1C[C@@H](C(=O)N[C@@H]2CCN(C(=O)C#CC3CC3)C2)CC1=O 940940777 QXLPCZYDYUIXJO-QWHCGFSZSA-N 303.362 -0.405 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C2CN(Cc3cnnn3C)C2)CC1 941349553 YLIAMZWTJGEDOI-LBPRGKRZSA-N 317.397 -0.697 30 20 DBED C#CCN1CC[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)[C@H](C)C1 944134522 DUNFEZXZJIDGSK-VXGBXAGGSA-N 306.366 -0.660 30 20 DBED N#CCN1CCC2(CC1)CN(C(=O)Cn1cnnc1O)CCO2 949075675 FVKQDPUWYAIILJ-UHFFFAOYSA-N 320.353 -0.799 30 20 DBED C#CCCN1CCC2(CC1)CN(C(=O)[C@H]1COC(=O)N1)CCO2 949083965 URXYOJWAOYAMNK-CYBMUJFWSA-N 321.377 -0.189 30 20 DBED CN(C(=O)c1cnnn1C)C1CN(C(=O)c2ccc(C#N)[nH]2)C1 954184551 KCGMLRCHFRVODP-UHFFFAOYSA-N 313.321 -0.389 30 20 DBED CN(C(=O)c1cc(C(N)=O)c[nH]1)C1CN(C(=O)C#CC2CC2)C1 955118915 CESBAHHKJTZZLM-UHFFFAOYSA-N 314.345 -0.190 30 20 DBED C[C@@]1(NC(=O)C2CS(=O)(=O)C2)CCN(C(=O)C#CC2CC2)C1 956987732 CVYJOKVLAQEAFN-OAHLLOKOSA-N 324.402 -0.448 30 20 DBED Cc1ocnc1C(=O)N(C)[C@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1O 958690129 FOIWCAULKBQUTI-LSJOCFKGSA-N 306.322 -0.214 30 20 DBED CC#CCN1C[C@@H]2C(NC(=O)c3cc(C(N)=O)cn3C)[C@H]2C1 960833132 XOWMVRMLZCXUBW-RYUDHWBXSA-N 300.362 -0.193 30 20 DBED CC(=O)N1CC(C(=O)N2C[C@H]3CN(C(=O)[C@H](C)C#N)C[C@H]3C2)C1 961453141 QPXJGOKWRDZFCP-RTXFEEFZSA-N 318.377 -0.459 30 20 DBED C=C(Cl)CN1C[C@H]2[C@H](NC(=O)CN3CCNC(=O)C3)[C@H]2C1 961458318 NAEBLBUEMCGWGS-YABSGUDNSA-N 312.801 -0.783 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1[C@H]2CN(Cc3cnnn3C)C[C@H]12 961828408 XCCWIAQFTNPKEA-RFGFWPKPSA-N 317.393 -0.047 30 20 DBED Cc1ccnn1CC(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1O 963169558 RKJKWAMKMSPTQT-WCQGTBRESA-N 305.338 -0.961 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CCCN(C(=O)Cc3nc[nH]n3)[C@@H]2C1 963849056 KBODQLHLSUFYPW-GRYCIOLGSA-N 316.365 -0.044 30 20 DBED Cn1cc(C(=O)NC[C@@H]2COCCN2C(=O)C#CC2CC2)cn1 964073298 TUFBDROTSDCQKG-CQSZACIVSA-N 316.361 -0.209 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)c1csnn1 964269587 UWSREMAAWOZOCL-IUCAKERBSA-N 309.351 -0.345 30 20 DBED Cc1cnn(C)c1C(=O)NC[C@@H]1COCCN1C(=O)[C@H](C)C#N 964322460 CJMXEWFRDCKQGI-ZYHUDNBSSA-N 319.365 -0.155 30 20 DBED Cn1cc(C(=O)NC2CC3(CC(NCC#N)C3)C2)n(C)c1=O 965937508 CUTYTBAKKJGFIP-UHFFFAOYSA-N 303.366 -0.122 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)c3nccnc3N)C2)C1 972308420 LVCKUEBGWAGYKC-HNNXBMFYSA-N 301.350 -0.391 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CC[C@@H]3CN(C(=O)C(N)=O)C[C@@H]32)[nH]1 979908131 BDMWOMRUZXPWDB-DVVUODLYSA-N 315.333 -0.662 30 20 DBED CN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CCCN(C(=O)CC(N)=O)C1 983997313 JSJPAHFBLSLHMV-NSHDSACASA-N 317.349 -0.175 30 20 DBED C=CCN[C@@H]1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)[C@@H]1C 986330700 HYFIIJCVMAUONQ-VXGBXAGGSA-N 306.366 -0.688 30 20 DBED C#Cc1ccc(C(=O)N2CC(NC(=O)[C@@H]3COC(=O)N3)C2)cn1 991118957 RXQZIUVTUBINBM-LBPRGKRZSA-N 314.301 -0.888 30 20 DBED O=C(NC1CN(C(=O)C#CC2CC2)C1)c1ccc2nn[nH]c2n1 994114576 DDAVWUGZHFOLCJ-UHFFFAOYSA-N 310.317 -0.293 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCC1CN(C(=O)c2cnon2)C1 1004525671 RXKAPDQDRAQSMY-PWSUYJOCSA-N 306.322 -0.151 30 20 DBED N#CCN1CCC[C@@H](NC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 1008016295 QKDHEXOMADWGOI-PWSUYJOCSA-N 302.338 -0.530 30 20 DBED C[C@H]1C[C@H](CNC(=O)c2nnn(C)n2)CN1C(=O)C#CC1CC1 1010157082 FVGVVPXHPDPQOI-CMPLNLGQSA-N 316.365 -0.410 30 20 DBED C=C1CC(C)(C(=O)NC2[C@H]3CN(C(=O)Cn4ncnn4)C[C@H]23)C1 1013746359 KLCBANUOEGWLRM-QWRGUYRKSA-N 316.365 -0.398 30 20 DBED C#CCN1CC[C@@H](NC(=O)C2(n3cnnn3)CCOCC2)C1 1015822563 JCUGHSRFUOHLBS-GFCCVEGCSA-N 304.354 -0.998 30 20 DBED C#CCN1[C@H]2CC[C@H]1CN(C(=O)[C@@H]1CCc3nnc(O)n3C1)C2 1029364479 ZBWIRHNLUCCXQX-AGIUHOORSA-N 315.377 -0.146 30 20 DBED C#CCN1CC[C@H](N(C)C(=O)[C@H]2CCc3nnc(O)n3C2)C1 1033201477 DXMOKVLBTZEGML-RYUDHWBXSA-N 303.366 -0.288 30 20 DBED CN(C(=O)C1CC2(C1)NC(=O)NC2=O)[C@H]1CCN(CC#N)C1 1033501738 KHHPDWGDVZQLLW-XIRUVYRFSA-N 305.338 -0.969 30 20 DBED C=C(Cl)CN1CCO[C@@H](CNC(=O)c2c[nH]c(=O)cn2)C1 1035486939 FWDDMFVUDDPEKJ-JTQLQIEISA-N 312.757 -0.047 30 20 DBED C=CCCN1CCO[C@H](CNC(=O)c2nccnc2C(N)=O)C1 1035598530 YNWIXGVLCKKLNL-LLVKDONJSA-N 319.365 -0.418 30 20 DBED COc1ncnc(OC)c1C(=O)NC[C@H]1CN(CC#N)CCO1 1035624185 MPFDRSNZLZRWFC-JTQLQIEISA-N 321.337 -0.552 30 20 DBED C=CCN1CC[C@@H]2CN(C(=O)Cn3ncn(C)c3=O)CC[C@H]21 1036753683 UVJWACBCFGEEEM-CHWSQXEVSA-N 305.382 -0.309 30 20 DBED C#CCCN1CC[C@H]1CNC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 1038255796 OVEIJQHHNAGUAA-STQMWFEESA-N 315.377 -0.024 30 20 DBED C=CCOc1cccnc1C(=O)NC[C@@H]1CCN1CC(N)=O 1038905705 QOUQZTKFXDCPOG-NSHDSACASA-N 304.350 -0.064 30 20 DBED C#CCCCC(=O)NC[C@]1(O)CCN(C(=O)c2cnccn2)C1 1039570632 YFCOZLRRGSHVHK-MRXNPFEDSA-N 316.361 -0.027 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@@](O)(CNC(=O)c2ncc[nH]2)C1 1039662123 MJHFRJVNKQDUCI-IAQYHMDHSA-N 320.349 -0.859 30 20 DBED COC1CC(C(=O)NC[C@@]2(O)CCN(C(=O)C#CC3CC3)C2)C1 1040134490 XPLXPLPQUUOYLF-KVULBXGLSA-N 320.389 -0.096 30 20 DBED C#CCOc1ncccc1C(=O)NC[C@@]1(O)CCN(C(C)=O)C1 1040421681 ZFFSKVGSHZTEHN-INIZCTEOSA-N 317.345 -0.193 30 20 DBED Cc1c(C(=O)N2CC[C@](O)(CNC(=O)[C@@H](C)C#N)C2)cnn1C 1040759864 DKTBLQOWYSBPSL-BONVTDFDSA-N 319.365 -0.419 30 20 DBED Cc1c[nH]c(C(=O)N2CC[C@](O)(CNC(=O)[C@@H](C)C#N)C2)n1 1040760890 ALYIZTJJYGASLM-XPTSAGLGSA-N 305.338 -0.429 30 20 DBED N#Cc1nccc(N2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)n1 1040956180 GCGNCKXSBGSRFC-VXGBXAGGSA-N 323.316 -0.472 30 20 DBED N#Cc1cnc(N2C[C@@H](O)[C@H](NC(=O)Cc3cccnc3)C2)cn1 1040989859 GJXRQAUHZNSDTA-ZIAGYGMSSA-N 324.344 -0.348 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@@H]2CCOC2)C1 1041884056 PQYUIPXHARKYEP-UPJWGTAASA-N 324.377 -0.697 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)[C@@H]2CCCN2C)C1 1042097750 JHQUNPJZJJGRAX-ZDUSSCGKSA-N 307.394 -0.571 30 20 DBED Cc1ncc(C(=O)N2CC(O)(CNC(=O)C#CC3CC3)C2)n1C 1042964641 LWTHXFKXUMGOQS-UHFFFAOYSA-N 316.361 -0.555 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)c2cc(Cl)no2)C1 1045551755 LGVQPVNHQRBEAC-SSDOTTSWSA-N 312.713 -0.209 30 20 DBED C=C(Cl)CN1CC[C@H](N2CCN(C(=O)CC(N)=O)CC2)C1 1046016253 FDRMIZNDYWUPEH-LBPRGKRZSA-N 314.817 -0.167 30 20 DBED C=C(C)CN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2COCCN2CC)C1 1047434396 VCPRFZUWUBKUNK-ZNMIVQPWSA-N 311.426 -0.213 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(CCN(C)C)c2)C1 1047558824 ILLHCVRSQVPRHO-GJZGRUSLSA-N 321.425 -0.252 30 20 DBED C[C@@H](NCc1nnn(C)n1)[C@H]1CCN(C(=O)C#CC2CC2)C1 1047850589 ZRTXXONBRBBFMQ-YPMHNXCESA-N 302.382 -0.050 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cnsn2)C1 1048384606 CFZYARQSUMVILC-RYUDHWBXSA-N 322.390 -0.015 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)CC(N)=O)C1 1049163826 PXRGZWHWRFAJCU-WOPDTQHZSA-N 311.382 -0.506 30 20 DBED CN1CCN(CC(=O)N2CCC[C@H]3CN(CC#N)C[C@H]32)CC1=O 1050081786 RMJXHKPOJFIKQC-UONOGXRCSA-N 319.409 -0.793 30 20 DBED C#CCCN1CCOC[C@H]1CNC(=O)c1ccn(CCOC)n1 1051020027 NGGGEDQMGPYJDV-CQSZACIVSA-N 320.393 -0.017 30 20 DBED C#CCN1CCN([C@@H]2CCN(C(=O)[C@@H]3CCC(=O)N3)C2)CC1 1052110248 NZIQBYXVWNKERY-KGLIPLIRSA-N 304.394 -0.883 30 20 DBED CC#CCN1CCC[C@H](NC(=O)CN2C(=O)CN(C)C2=O)CC1 1052921626 KBMLGHABNTXVMT-ZDUSSCGKSA-N 320.393 -0.126 30 20 DBED C#CCN1CC2(C1)CN(C(=O)c1ccn3nnnc3c1)CCO2 1053370278 AKJYRNBCGKLYOT-UHFFFAOYSA-N 312.333 -0.716 30 20 DBED C#Cc1ccc(C(=O)N2CCOC3(CN(CCO)C3)C2)nc1 1053511910 HGJPGULRZPHQED-UHFFFAOYSA-N 301.346 -0.418 30 20 DBED C=CCN1CC2(CC[C@H](CNC(=O)[C@@H]3CN(C)C(=O)N3)O2)C1 1053642760 JQVGKMABNJUCAI-NEPJUHHUSA-N 308.382 -0.454 30 20 DBED C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1NCc1nc(O)n[nH]1 1054535809 YKOXZXKAQOFCLX-LDYMZIIASA-N 315.337 -0.040 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H]2CN(C(=O)CCCF)C[C@@H]2C1 1055294364 ALIHQAWXIHEYIR-BETUJISGSA-N 323.368 -0.208 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@](CO)(NC(=O)c2csnn2)C1 1056022029 BSCBAGSJGSQLPB-RNCFNFMXSA-N 323.378 -0.219 30 20 DBED Cc1nonc1C(=O)NC1[C@@H]2CN(c3ccc(C#N)nn3)C[C@@H]12 1056242816 QTTDUQYTBQHYOY-NXEZZACHSA-N 311.305 -0.096 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)c1ccccn1 1056793279 BCVIOQIIBGJXLM-UHFFFAOYSA-N 307.350 -0.165 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)CCCOC 1057078514 XZXBYOUAXXIELK-UHFFFAOYSA-N 302.371 -0.447 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)c1cc(=O)n(C)o1 1057437060 QOGVVLAVYLQOEZ-UHFFFAOYSA-N 323.349 -0.668 30 20 DBED CCn1nncc1C(=O)N(CCO)CCNC(=O)[C@H](C)C#N 1057506823 XOGDNYOLBCUDKW-SNVBAGLBSA-N 308.342 -0.992 30 20 DBED C[C@H](C(=O)N(CCO)CCNC(=O)[C@H](C)C#N)c1ccnn1C 1057731190 QREXBROXAUNXEB-NEPJUHHUSA-N 321.381 -0.380 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)CCN1CCCC1=O 1058658995 PZHBLCBQCPGMBN-LBPRGKRZSA-N 324.381 -0.904 30 20 DBED CN1CC[C@@H](C(=O)N[C@H]2C[C@H](N=c3cc[nH]c(C#N)n3)C2)C1 1059231683 ZBFPXRDUQZDRFV-IJLUTSLNSA-N 300.366 -0.219 30 20 DBED Cc1cc(=N[C@H]2C[C@H](NC(=O)Cn3ncnn3)C2)c(C#N)c[nH]1 1059311019 VDOIDQHLBUROFJ-HAQNSBGRSA-N 312.337 -0.571 30 20 DBED N#Cc1nc(=N[C@H]2C[C@H](NC(=O)[C@H]3CCC(=O)NC3)C2)cc[nH]1 1059457265 FCHMHPNSXLLIRT-DCAQKATOSA-N 314.349 -0.645 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](CCNC(=O)C2(NC(N)=O)CC2)C1 1060289517 ORKAVDRYFOFOIZ-GHMZBOCLSA-N 321.381 -0.298 30 20 DBED C=CCOCC(=O)NC[C@H]1COCCN1C(=O)c1n[nH]cc1C 1061424545 WGVYLWAEUUDSGM-LBPRGKRZSA-N 322.365 -0.122 30 20 DBED CN(C)CCC(=O)NC[C@H]1COCCN1C(=O)C#CC1CC1 1061859184 GYANZMKBLXIVLR-AWEZNQCLSA-N 307.394 -0.305 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1(NC(=O)CC(N)=O)CCC1 1063205864 SRNPBXJXELLMKK-FZMZJTMJSA-N 323.393 -0.002 30 20 DBED Cn1cc(C(=O)N[C@@H]2[C@H]3C[C@H]2N(c2cncc(C#N)n2)C3)nn1 1064241744 HTZGSSMQICTQPF-RLCGTCKNSA-N 310.321 -0.516 30 20 DBED N#Cc1nccc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)c2cncnc2O)n1 1064309649 PRCLIDTXXKENFA-DFAYQTQMSA-N 323.316 -0.149 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)c2cnn(C)c2N)CCO1 1065071949 SGQHEFMAEHDSQL-NSHDSACASA-N 321.381 -0.074 30 20 DBED CC(C)N(C)CC(=O)N1CCO[C@H](CNC(=O)[C@H](C)C#N)C1 1065253930 ORCUKENFEKELKV-CHWSQXEVSA-N 310.398 -0.170 30 20 DBED C=CCCOCC(=O)NC[C@@H]1CN(C(=O)c2nc[nH]n2)CCO1 1065448864 DLLCILMGPKDXMJ-LLVKDONJSA-N 323.353 -0.645 30 20 DBED C[C@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1CN=c1cc[nH]c(C#N)n1 1065867801 KZNZIWHKZBVNOG-UWVGGRQHSA-N 312.337 -0.292 30 20 DBED C=CCCOCC(=O)N(C)CCCN(C)C(=O)c1nnn(C)n1 1067689471 GZVHUMWDRWXMKP-UHFFFAOYSA-N 324.385 -0.277 30 20 DBED Cn1cnc(C(=O)NCC2[C@@H]3CN(c4ccnc(C#N)n4)C[C@@H]23)n1 1068170197 BXZPXIBMWBHAFB-QWRGUYRKSA-N 324.348 -0.411 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)c2ccn(C)n2)CCOCC1 1070122060 KBSNETRDDXKTTO-NSHDSACASA-N 319.365 -0.025 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)[C@]2(C)CNC(=O)C2)CC1 1070981471 CLMXFPMFOKGTGJ-INIZCTEOSA-N 322.409 -0.651 30 20 DBED C[C@@H]1CN(C(=O)CN2CCCC2=O)C[C@@H]1NC(=O)C#CC1CC1 1071556385 IZQQCEYNFPNMET-OCCSQVGLSA-N 317.389 -0.015 30 20 DBED C=CCCOCC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2(C(N)=O)CC2)C1 1072335689 FXNNHBXLHBVGFC-NEPJUHHUSA-N 323.393 -0.192 30 20 DBED CCOCC(=O)N1CCN(C2CN(C(=O)C#CC3CC3)C2)CC1 1073531470 ZIMLOYDSEHCKFC-UHFFFAOYSA-N 319.405 -0.209 30 20 DBED Cn1c(C(=O)NC[C@H]2CN(CC#N)CCCO2)cccc1=O 1073759575 BVHXNRNCJAYRLN-LBPRGKRZSA-N 304.350 -0.270 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)[C@H]2CCCC(=O)N2C)C1 1073873837 LRYGUHSNOSMHMH-ZIAGYGMSSA-N 307.394 -0.162 30 20 DBED CC#CCN1CCO[C@@H]2CCN(C(=O)c3nccnc3N)C[C@@H]21 1074195289 SKPZBKFMYUDYTJ-QWHCGFSZSA-N 315.377 -0.003 30 20 DBED C=CCCN1CCO[C@@H]2CCN(C(=O)Cn3ncnn3)C[C@@H]21 1074241173 CWTZCPVWFJXYBJ-QWHCGFSZSA-N 306.370 -0.449 30 20 DBED Cc1nc(O)[nH]c1C(=O)N1CC[C@@H]2OCCN(CC#N)[C@H]2C1 1074271736 QYKKECVPOMTIRD-QWRGUYRKSA-N 305.338 -0.137 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)Cc3cncn3C)C[C@H]21 1074385169 RGLCYTOVABQTBU-HUUCEWRRSA-N 302.378 -0.103 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CCN(C(=O)[C@@]23COC[C@@H]2C3)CC1 1074611937 DEUCIBDSZMVWEO-MKBNYLNASA-N 321.377 -0.348 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)Cn2nnnc2C(C)C)C1 1077806008 ZMQLXIVXZAXIPK-CHWSQXEVSA-N 322.413 -0.076 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H](C)CCNC(=O)c1c[nH]c(=O)cn1 1078078171 JQYRBVXZKYSURE-QWRGUYRKSA-N 322.365 -0.014 30 20 DBED O=C1NCCC[C@H]1NC[C@@H]1CN(C(=O)C#CC2CC2)CCCO1 1078398921 VDVANMJDWDWBLD-HUUCEWRRSA-N 319.405 -0.115 30 20 DBED CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)CCN2CCOCC2)C1 1080413391 XLXSNTHKKGJELZ-ZDUSSCGKSA-N 322.409 -0.072 30 20 DBED C=C(C)CN1C[C@@H](NC(=O)c2cn(CC(N)=O)nn2)[C@H](C)C1 1080996061 CAVLVLDSBNBOBY-GHMZBOCLSA-N 306.370 -0.610 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@@H]1O 1081338812 WLTRTGPZYMVQFM-MNOVXSKESA-N 311.382 -0.600 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)Cc2cnc[nH]2)C[C@H]1O 1081444879 OHBFTSXIIXXBAD-GXTWGEPZSA-N 318.377 -0.309 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(C(=O)C2CCC2)C[C@@H]1O 1081488173 FARDRFLLKAOIRO-KGLIPLIRSA-N 308.378 -0.238 30 20 DBED C=C(C)CN[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)N2)C[C@H]1C 1082927876 YJVGYQFVNHQZNA-GRYCIOLGSA-N 301.412 -0.309 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCCn3nccc32)C1 1083580996 GXXYKMHKKMPSGP-NFAWXSAZSA-N 302.378 -0.055 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)c2cn(C)nc2COC)C1 1083581738 IDVPVVBYABENSS-OCCSQVGLSA-N 306.366 -0.635 30 20 DBED Cc1cnc2c(cnn2CC(=O)N[C@@H]2CN(CC#N)C[C@@H]2O)c1 1083646408 BFXXPXVQLKLSKB-OLZOCXBDSA-N 314.349 -0.575 30 20 DBED CN(C)C(=O)c1cccc(C(=O)N[C@@H]2CN(CC#N)C[C@@H]2O)c1 1083964602 JJQYJZUNRSJPRI-KGLIPLIRSA-N 316.361 -0.313 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)[C@@H]3CCCN(C(N)=O)C3)[C@@H]2C1 1084498770 JJGUFJDNUNYJDS-MGPQQGTHSA-N 304.394 -0.057 30 20 DBED C=C(C)CN1CC[C@H]1CN(C)C(=O)[C@H]1CCS(=O)(=O)N1 1085977445 VPMUJAFYQYOBAD-NWDGAFQWSA-N 301.412 -0.213 30 20 DBED C=CCN1CC[C@@H]2CN(C(=O)Cn3ncn(C)c3=O)C[C@@H]2C1 1088019643 YKOSBPWQOMXUIH-OLZOCXBDSA-N 305.382 -0.452 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)[C@H]3CCCS3(=O)=O)C[C@@H]2C1 1088206288 KQEDGZDSQUDVNA-HZSPNIEDSA-N 310.419 -0.023 30 20 DBED C#CCN[C@@H]1CCCCCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 1088428559 WMGNBBRHWYVQBN-CHWSQXEVSA-N 313.423 -0.328 30 20 DBED N#Cc1nc(=NCC2(CCNC(=O)c3nc[nH]n3)CC2)cc[nH]1 1089952439 AUOOQDNQPXZZGL-UHFFFAOYSA-N 312.337 -0.100 30 20 DBED C=CCN1CC[C@H](NC(=O)Cc2ccc(C(N)=O)nc2)[C@@H](O)C1 1090360163 JPXGYMLXZWRTIG-JSGCOSHPSA-N 318.377 -0.540 30 20 DBED C=CCOc1cccnc1C(=O)N[C@H]1CCN(CCO)C[C@@H]1O 1090716277 NAKSGOPQSZOMSP-STQMWFEESA-N 321.377 -0.196 30 20 DBED CN(C)c1ccc(C(=O)N[C@H]2CCN(CC#N)C[C@H]2O)nn1 1090733605 HJSDNCWAVQMHJB-CMPLNLGQSA-N 304.354 -0.769 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@@H]1O 1091091599 BDFDTJOAWZUBAX-TYNCELHUSA-N 317.349 -0.659 30 20 DBED CO[C@@H](C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O)C1CC1 1091099081 BHBZJXJLCVWWSL-UHIISALHSA-N 317.349 -0.561 30 20 DBED N#Cc1ccc(N[C@H]2C[C@@H](CNC(=O)Cn3ncnn3)C2)nc1 1091371515 CHOJREVFMRKKRH-TXEJJXNPSA-N 312.337 -0.053 30 20 DBED CNC(=O)CC(=O)N[C@H]1CCN(c2ccnc(C#N)n2)[C@@H]1C 1091959871 ZDLTZONXSHTDFH-ZJUUUORDSA-N 302.338 -0.432 30 20 DBED C=CCN1CC2(C[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)c3nccn32)C1 1092399038 QCNOCIFBAGCARS-WOPDTQHZSA-N 315.377 -0.238 30 20 DBED CCNC(=O)CC(=O)NC1[C@H]2CN(c3cnc(C#N)cn3)C[C@H]12 1093267522 YMDBOOBTDBAIAH-QWRGUYRKSA-N 314.349 -0.575 30 20 DBED Cc1ccnc2nc(C(=O)NCCNc3cnc(C#N)cn3)nn12 1093611706 ZAPDDGHETYRYAF-UHFFFAOYSA-N 323.320 -0.064 30 20 DBED CCS(=O)(=O)CC(=O)NCCN=c1cc(C)[nH]cc1C#N 1093684841 NZFFHAXGFWLWNJ-UHFFFAOYSA-N 310.379 -0.354 30 20 DBED Cn1cc(OCC(=O)NCCNc2ccc(C#N)nn2)cn1 1094069446 RXBHDOUAAJMGJW-UHFFFAOYSA-N 301.310 -0.311 30 20 DBED C[C@@H](CC(=O)NCCCNc1cncc(C#N)n1)NC(N)=O 1094593756 LXOCRBWZEKONNH-VIFPVBQESA-N 305.342 -0.287 30 20 DBED CNC(=O)NCC(=O)N1CCC[C@H](Nc2nccnc2C#N)C1 1095330550 UYFZSPZJBORJNX-JTQLQIEISA-N 317.353 -0.320 30 20 DBED C[C@@H](CNC(=O)[C@H]1CN(C)C(=O)N1)Nc1cnc(C#N)cn1 1098213254 DYWLJVYFROJNTL-WCBMZHEXSA-N 303.326 -0.712 30 20 DBED N#Cc1cncc(N[C@H]2CCC[C@@H](NC(=O)CNC(N)=O)C2)n1 1098590101 QNMGKJMPINMCHD-VHSXEESVSA-N 317.353 -0.144 30 20 DBED CCNC(=O)CN1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@H](O)C1 1099757213 AVASLNMPJSOBCJ-DGCLKSJQSA-N 319.365 -0.813 30 20 DBED C#CCCCC(=O)N[C@@H]1CCN(CC(=O)NCCC)C[C@H]1O 1099804155 IZHZOEWSEVDNSP-ZIAGYGMSSA-N 309.410 -0.133 30 20 DBED CCn1ncnc1CN1CC[C@H](NC(=O)C#CC2CC2)[C@@H](O)C1 1099824756 YQYQJQXYIBHFNT-KBPBESRZSA-N 317.393 -0.237 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CCN(CC(=O)NC2CC2)C[C@@H]1O 1099827269 UQHFEKROGTYJFX-KGLIPLIRSA-N 305.378 -0.770 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CNC(=O)N2CCCC2)[C@H](O)C1 1099830427 RQJWMYFJMLSHKS-ZIAGYGMSSA-N 322.409 -0.634 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)C(C)(C)CC)[C@@H](O)C1 1099980120 BZVVOWGOZMIQSX-STQMWFEESA-N 309.410 -0.277 30 20 DBED CCCC1(C(=O)N[C@@H]2CCN(CC(=O)NCC#N)C[C@H]2O)CC1 1100003340 FDNZDBIBTGJYEI-CHWSQXEVSA-N 322.409 -0.242 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CCc2cnccn2)[C@H](O)C1 1100067109 MUXRHXDYIHHQIL-HUUCEWRRSA-N 302.378 -0.016 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)N[C@H]1CCN(CC#N)C[C@@H]1O 1100130078 XTEVHCFHBRKBIB-RYUDHWBXSA-N 323.397 -0.675 30 20 DBED CCOCCOCC(=O)NCCN(C)c1nccnc1C#N 1100161059 XBZSDUHBCWSJSL-UHFFFAOYSA-N 307.354 -0.046 30 20 DBED Cc1cc(C#N)nc(N(C)CCNC(=O)C[C@H]2CCNC2=O)n1 1100193507 IXWFJWWHWMFHBM-LLVKDONJSA-N 316.365 -0.265 30 20 DBED CN(CCNC(=O)CN1CCCNC1=O)c1ccncc1C#N 1100408264 ARNLCDMHCCIBNM-UHFFFAOYSA-N 316.365 -0.079 30 20 DBED COCC#CCN1C[C@@H](C)[C@H](CNC(=O)C[C@H]2CCNC2=O)C1 1102043443 AEYITSFLKDOYBM-RBSFLKMASA-N 321.421 -0.154 30 20 DBED CCN(C(=O)CC(N)=O)[C@H]1CCN(c2cncc(C#N)n2)C1 1102785076 SYCYOYZQKOTJJZ-NSHDSACASA-N 302.338 -0.349 30 20 DBED CC[C@H](CNC(=O)C1CS(=O)(=O)C1)Nc1ccc(C#N)nn1 1103200475 ZDPHKDXJFQWTCD-SNVBAGLBSA-N 323.378 -0.300 30 20 DBED CC[C@H](CNC(=O)Cn1ncnn1)Nc1nc(C)cc(C#N)n1 1103207799 MEDMMBOIVDJLAC-SNVBAGLBSA-N 315.341 -0.350 30 20 DBED C[C@H](CNC(=O)Cn1cnnn1)CNc1nccnc1C#N 1103851054 BXKCITJNFRIKET-SECBINFHSA-N 301.314 -0.801 30 20 DBED C[C@H](NC(N)=O)C(=O)NC[C@@H](C)CN=c1cc[nH]cc1C#N 1103934519 DPIFZGRUOIRHCN-UWVGGRQHSA-N 304.354 -0.404 30 20 DBED CCn1ncc(C(=O)N(C)[C@@H](C)CN=c2cc[nH]c(C#N)n2)n1 1104540017 OIFIAHMJQRQRQB-JTQLQIEISA-N 314.353 -0.046 30 20 DBED C#CCNC(=O)[C@@H](C)NCc1cn(C2CN(C(=O)CC)C2)nn1 1105125394 LHRCVVMZZFVJDV-LLVKDONJSA-N 318.381 -0.701 30 20 DBED C=CCNCc1cn(C2CN(C(=O)[C@@H]3CCN(C)C3=O)C2)nn1 1105309820 DBRFENUYFKXADD-CYBMUJFWSA-N 318.381 -0.585 30 20 DBED CC(C)CO[C@@H](C)C(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1 1105727371 MJZZNTVNJRMHQH-RYUDHWBXSA-N 321.381 -0.280 30 20 DBED CCn1cc(C(=O)NC[C@H](O)CNc2cncc(C#N)n2)cn1 1105766271 UCJJQBHDFLOZQQ-GFCCVEGCSA-N 315.337 -0.233 30 20 DBED N#Cc1cccnc1NC[C@@H](O)CNC(=O)[C@H]1CCCC(=O)N1 1105997437 RONMSXUEYPVCHX-VXGBXAGGSA-N 317.349 -0.489 30 20 DBED C=CC(C)(C)C(=O)NC[C@@H](O)CNc1ccc2nnnn2n1 1106052264 WOVMEQODMXGXCA-VIFPVBQESA-N 305.342 -0.380 30 20 DBED C[C@H](CCNc1ccc(C#N)nn1)NC(=O)[C@@H]1CCC(=O)N1 1106393177 ICSIXENLAPCVDK-KOLCDFICSA-N 302.338 -0.066 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H](C)CCNc1nccn2nnnc12 1106441714 DOWSBUVKLHEVIY-WDEREUQCSA-N 317.353 -0.136 30 20 DBED CCC(=O)NCC(=O)NC/C=C\CNc1cncc(C#N)n1 1107078863 OXPULZRQYXXQLH-ARJAWSKDSA-N 302.338 -0.041 30 20 DBED CCN(CCC#N)C(=O)CN1CCO[C@](C)(CNC(C)=O)C1 1107664232 JMJIWFAEQZFLRE-OAHLLOKOSA-N 310.398 -0.024 30 20 DBED C#CCNC(=O)CN1CCO[C@](C)(CNC(=O)C=C(C)C)C1 1107710019 NXZIIGGOOFMSLC-MRXNPFEDSA-N 307.394 -0.091 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@]1(C)CN(CC(=O)NC)CCO1 1107903312 UECLSTMZGHKVDW-LSDHHAIUSA-N 313.398 -0.733 30 20 DBED COCC#CCN1CCO[C@](C)(CNC(=O)c2ccncn2)C1 1108289728 PDEDJPWJYNTDLW-MRXNPFEDSA-N 318.377 -0.053 30 20 DBED COCCC(C)(C)C(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1 1108582645 BFHNJGANFLZLDZ-LBPRGKRZSA-N 322.409 -0.026 30 20 DBED C[C@H](CN(C)c1ccc(C#N)nc1)NC(=O)[C@H]1CN(C)C(=O)N1 1109193181 BTELWAVIXLRNEE-ZWNOBZJWSA-N 316.365 -0.082 30 20 DBED N#Cc1cccnc1NC[C@@H](NC(=O)[C@H]1CNC(=O)N1)C1CC1 1109964092 ZTBXSCMEJJVCDS-VXGBXAGGSA-N 314.349 -0.059 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H]1CCN(C)C1 1110101449 PLEIQFZKPPNTBT-KBXIAJHMSA-N 318.421 -0.591 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)N1CCOCC1 1110394927 QODAQXDXDOZIFN-DGAVXFQQSA-N 320.393 -0.274 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCNS(C)(=O)=O 1110402066 WDCXKMFRGWQOQK-KKOKHZNYSA-N 314.411 -0.583 30 20 DBED CO[C@H](C)C(=O)N(C)[C@H]1CN(c2ccc(C#N)nc2)C[C@@H]1O 1111171324 YNZKKFRNHZMBGT-SWHYSGLUSA-N 304.350 -0.004 30 20 DBED Cc1c[nH]nc1C(=O)N(CCO)CCNc1cncc(C#N)n1 1111463655 GITKMELSTKYNAO-UHFFFAOYSA-N 315.337 -0.074 30 20 DBED CNC(=O)CC(=O)NC[C@H]1COCCN1c1ccc(C#N)nc1 1111675574 LQWLLMDCZDQDMO-ZDUSSCGKSA-N 317.349 -0.589 30 20 DBED C[C@H](Nc1cncc(C#N)n1)[C@@H](C)NC(=O)C1(C(N)=O)CC1 1113274592 SYIPMXSPQJZZRQ-DTWKUNHWSA-N 302.338 -0.081 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)CCc2cn[nH]c2)CC1 1113417585 MYVBAPDJIHJLSX-ZDUSSCGKSA-N 317.393 -0.376 30 20 DBED C[C@H](CNC(=O)c1cnnn1C)N(C)c1ccc(C#N)nn1 1113589660 ZEPXRJKXYWUXRM-SECBINFHSA-N 300.326 -0.269 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)c3cnnn3CC)[C@H]2C1 1114225874 CDTYZGFJGMJHTN-QWRGUYRKSA-N 318.381 -0.740 30 20 DBED O=C(C#CC1CC1)NC1[C@H]2CN(CCN3C(=O)CCC3=O)C[C@H]12 1114258615 WPOYKVLFALOTTP-STQMWFEESA-N 315.373 -0.405 30 20 DBED CNC(=O)CC(=O)NCC1[C@H]2CN(c3cnc(C#N)cn3)C[C@H]12 1114529742 DHQYISJYLLVDOR-VXGBXAGGSA-N 314.349 -0.717 30 20 DBED C=CCCCC(=O)NC1[C@@H]2CN(CCN3C(=O)CNC3=O)C[C@@H]12 1114760227 WSVCFSJRFKGHQZ-VXGBXAGGSA-N 320.393 -0.059 30 20 DBED Cc1nc(CC(=O)N(C)C[C@H](C)N=c2cc[nH]c(C#N)n2)n[nH]1 1115715014 VQMVGXWCWCDIAZ-VIFPVBQESA-N 314.353 -0.302 30 20 DBED C#CC1CCN(c2nnnn2CCS(=O)(=O)N(C)C)CC1 1120062267 FEGNCAZHBWVGGN-UHFFFAOYSA-N 312.399 -0.586 30 20 DBED C[C@H](CN(C)C(=O)[C@H]1CN(C)C(=O)N1)Nc1cnc(C#N)cn1 1120406560 CWBHEOQNDIEFCF-MWLCHTKSSA-N 317.353 -0.369 30 20 DBED Cn1nncc1C(=O)NC[C@@H](CO)Nc1ccc(C#N)nc1 1121385679 JITBVRHNIIFDKG-NSHDSACASA-N 301.310 -0.715 30 20 DBED Cn1ccc(C(=O)NC[C@@H](CO)Nc2ccc(C#N)nc2)n1 1121581459 PRTCUNYQQBBBHD-LBPRGKRZSA-N 300.322 -0.110 30 20 DBED C#CCN1CCC(C(=O)NC[C@@H](CO)Nc2ncccn2)CC1 1121649449 ITDCLJLSXUHBPS-AWEZNQCLSA-N 317.393 -0.289 30 20 DBED C#CCOCCC(=O)NC[C@H](CO)N=c1cc[nH]cc1C#N 1122029891 YNQIAPSYJMHKMK-CYBMUJFWSA-N 302.334 -0.696 30 20 DBED C[C@H]1[C@H](Nc2nccnc2C#N)CCN1C(=O)CNC(N)=O 1122932059 SEZGETINLNZTHA-DTWKUNHWSA-N 303.326 -0.582 30 20 DBED CN(C[C@H](O)CNc1ncccc1C#N)C(=O)[C@@H]1COCCO1 1124045911 KPENNDFNVZILRV-OLZOCXBDSA-N 320.349 -0.400 30 20 DBED CN(C[C@@H](O)CNc1ccc(C#N)nn1)C(=O)CN1CCCC1 1124352071 KPCMPXDKKYDYSV-ZDUSSCGKSA-N 318.381 -0.325 30 20 DBED Cc1ccc(C#N)c(NC[C@H](O)CN(C)C(=O)c2cnn[nH]2)n1 1124896444 NUVMLPVSOSUPSG-NSHDSACASA-N 315.337 -0.075 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C[C@H](O)CN(C)c1ncc(F)cn1 1125163174 XFKHBBYJOADQEJ-YPMHNXCESA-N 324.356 -0.091 30 20 DBED C[C@@H](CNCCNC(=O)c1ccc(C#N)[nH]1)CS(C)(=O)=O 1125819140 SQVFTBDFYCULTP-JTQLQIEISA-N 312.395 -0.114 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCN[C@@H](C)C(=O)NCCCOC 1126385060 SQEOKTIQIUVHGD-SWLSCSKDSA-N 315.414 -0.440 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)CCc1ccnn1C 1128485741 DTOHBXBPOVRMRR-LBPRGKRZSA-N 305.382 -0.804 30 20 DBED C=C(C)CN1C[C@H](n2ccnn2)[C@H](NC(=O)COCCOC)C1 1128834032 IKLOAWKRPYWSID-KGLIPLIRSA-N 323.397 -0.141 30 20 DBED C=CCN[C@@H]1CN(C(=O)C[C@@H](C)NC(N)=O)C[C@@H]1n1ccnn1 1129833964 JWJYJOBADQRICQ-UTUOFQBUSA-N 321.385 -0.748 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@@H](c2n[nH]cc2CNC(C)=O)C1 1130331876 HRJHBQLSCFALNT-DGCLKSJQSA-N 317.393 -0.027 30 20 DBED CC#CCN1C[C@H]2C[C@H]3CN(C(=O)[C@H](C)NC(C)=O)C[C@@]3(C1)O2 1131177090 DLCBCEMMFNVXET-MKVSYHDVSA-N 319.405 -0.164 30 20 DBED C#CCCCC(=O)N[C@@H]1CC[C@H](C)N(CC(=O)NC(N)=O)C1 1131996218 RWZWDTDYBKUMQZ-NWDGAFQWSA-N 308.382 -0.046 30 20 DBED CNC(=O)NCC(=O)N[C@H]1CC[C@@H](C)N(CC#CCOC)C1 1132090173 DRWLBPAWXZZFTC-OLZOCXBDSA-N 310.398 -0.466 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)c2nnn(C)n2)CC[C@H]1C 1132224587 OQLQXFKEOVCMGT-MNOVXSKESA-N 321.385 -0.905 30 20 DBED Cc1cc(C)c(CC(=O)NCCNCC(=O)NCC#N)c(O)n1 1132767503 HCISLXCYRUFASB-UHFFFAOYSA-N 319.365 -0.708 30 20 DBED C#CCNC[C@H]1CN(C(=O)CCS(=O)(=O)NC)CC[C@@H]1C 1132828659 WNVMMGFNQOITHI-STQMWFEESA-N 315.439 -0.367 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)c1cc[n+]([O-])cc1 1133637168 UGLMIQFBZALQHB-STQMWFEESA-N 318.377 -0.444 30 20 DBED C[C@H](C[C@@H](C)NC(=O)c1ccnn1C)NCC(=O)NCC#N 1133870371 CMYZBMQNMSKGNY-GHMZBOCLSA-N 306.370 -0.454 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)[C@H](CC(=C)C)NC(C)=O 1134821282 MXJMVTNWSHBWPL-JSGCOSHPSA-N 324.425 -0.146 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)c1[nH]nnc1C 1135161035 IYUDHKJPFJPOOY-UWVGGRQHSA-N 306.370 -0.651 30 20 DBED N#CCN1CCC2(C1)CN(C(=O)CNC(=O)c1ccncc1)C2 1147610823 NKGMDWYJQYRRHO-UHFFFAOYSA-N 313.361 -0.131 30 20 DBED C#Cc1ccc(C(=O)NCCNC[C@@H](O)Cn2cccn2)nc1 1148377539 ZFGBLBIIIYLKIB-CQSZACIVSA-N 313.361 -0.360 30 20 DBED Cn1nnnc1CN1CCCO[C@@H](CNC(=O)C#CC2CC2)C1 1149688384 WTLTYGDXFYUBOZ-ZDUSSCGKSA-N 318.381 -0.669 30 20 DBED C=CCCCN1CCCO[C@H](CNC(=O)c2nnn(C)n2)C1 1150091041 IYQRBFTTZSBPQM-GFCCVEGCSA-N 308.386 -0.003 30 20 DBED CS(=O)(=O)NCCNCCNC(=O)CC#Cc1ccccc1 1151958427 HCGHPWQWGQYOHD-UHFFFAOYSA-N 323.418 -0.317 30 20 DBED C=CCO[C@@H](C)C(=O)NCCNCC(=O)NC(=O)NCC 1153135233 OFCZEWSRTIPBJJ-JTQLQIEISA-N 300.359 -0.871 30 20 DBED N#Cc1ccc(CNCCCNC(=O)Cn2cnnn2)s1 1154503619 USPPBHYEQDBIPA-UHFFFAOYSA-N 305.367 -0.098 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)CNC(=O)C2CC2)C1=O 1155050133 RGWSHVQTQVFOIJ-CYBMUJFWSA-N 322.409 -0.605 30 20 DBED CN(CC(=O)NCC#N)C[C@H]1CCCCN1C(=O)[C@H]1CCOC1 1157648245 GGAVDAAQJXHCCD-UONOGXRCSA-N 322.409 -0.024 30 20 DBED Cc1cnccc1CC(=O)NCCCNCC(=O)NCC#N 1158111174 FBQOUHUPISEXGI-UHFFFAOYSA-N 303.366 -0.332 30 20 DBED CN(CC#N)C[C@H]1CCCCN1C(=O)CN1C(=O)CCC1=O 1158846940 KOAKAGGVZMPDPL-GFCCVEGCSA-N 306.366 -0.028 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)[C@@H]2CCNC2=O)C1=O 1163948965 YQPPQXAAKOGULL-NWDGAFQWSA-N 308.382 -0.995 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)c1c(C)ncnc1O 1164437052 XIWXKNBMIJLYQC-NSHDSACASA-N 319.365 -0.662 30 20 DBED CNC(=O)NCC(=O)N[C@H](C)CCCCNCC#CCOC 1171119985 LHVHTOIPNLBIFP-CYBMUJFWSA-N 312.414 -0.170 30 20 DBED C=CCN1CCO[C@@H]2CCN(C(=O)CS(=O)(=O)CC)C[C@@H]21 1177149841 DFQRYWAKKAFLKG-QWHCGFSZSA-N 316.423 -0.091 30 20 DBED COCCS(=O)(=O)CC(=O)NCCCCCCNCC#N 1178840958 MJWXUGJFHXWQIV-UHFFFAOYSA-N 319.427 -0.163 30 20 DBED CC#CCNCCCCCCNC(=O)Cn1ncn(C)c1=O 1178894857 LULBZXDZMYFYOU-UHFFFAOYSA-N 307.398 -0.129 30 20 DBED N#CCNCCCCCCNC(=O)CC[C@H]1NC(=O)NC1=O 1180223960 OCGABSLQQMMAJZ-LLVKDONJSA-N 309.370 -0.236 30 20 DBED CNS(=O)(=O)CCC(=O)N1CC[C@@H](CNCC#N)[C@@H](C)C1 1184412599 UGSFIWITKPSVDD-RYUDHWBXSA-N 316.427 -0.477 30 20 DBED C#CCCNC[C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)C[C@H]1C 1185328578 XQGZAFGUZSPKDK-OLZOCXBDSA-N 320.393 -0.364 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)COCCCOC)C1 1186926976 CUVSDCIIYFNBFG-CYBMUJFWSA-N 313.398 -0.468 30 20 DBED CCCS(=O)(=O)CC(=O)N1CC[C@@H](NCC#CCOC)C1 1187925554 XOVROTHAPBNTOC-CYBMUJFWSA-N 316.423 -0.349 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](N(C)[C@H]2CCN(C)C2=O)C1 1190115262 YNCPCUKQKMAFPR-KGLIPLIRSA-N 307.394 -0.210 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(Cc2c(C)nnn2CC)C[C@H]1O 1191807258 NIZUDRAKNLPBJS-TZMCWYRMSA-N 323.397 -0.530 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)CCS(C)(=O)=O)C1 1194184498 HHQDUEBVOXRMPT-VXGBXAGGSA-N 304.412 -0.451 30 20 DBED C=CCCCN1C[C@@H](O)[C@H](NC(=O)CN2CCCNC2=O)C1 1194390634 COCSAXJDXWMMPH-CHWSQXEVSA-N 310.398 -0.471 30 20 DBED C#CCCN1CCCN(C(=O)CN(C)S(C)(=O)=O)CC1 1196053353 ZLGOFQRGAIMXEW-UHFFFAOYSA-N 301.412 -0.565 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)[C@@H]2C[C@H]2OCC)CC1 1199484942 IONIXCDLPQGACE-ZIAGYGMSSA-N 307.394 -0.259 30 20 DBED C=CCNC[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)C2)CCCO1 1200911560 NGXCYSWGJCJMPB-QWHCGFSZSA-N 316.423 -0.186 30 20 DBED C[C@@]1(C(=O)N2CCCO[C@@H](CNCC#N)C2)CCC(=O)NC1 1201225662 NGWSWFAAXVTCAP-SWLSCSKDSA-N 308.382 -0.367 30 20 DBED CCN(CC)S(=O)(=O)CC(=O)N1CCC(NCC#N)CC1 1202719436 ABYQCOSNQDJKBO-UHFFFAOYSA-N 316.427 -0.238 30 20 DBED C=CCNC(=O)CNCC1CCN(C(=O)[C@@H]2COC(=O)N2)CC1 1205146308 HUUSWUYFRXFBAS-LBPRGKRZSA-N 324.381 -0.775 30 20 DBED C=CCOCCNCC1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 1206086383 IPCLWRLQNUTRHW-ZDUSSCGKSA-N 310.398 -0.301 30 20 DBED C=CCOCC(=O)N[C@@H]1CN([C@H](C)C(=O)NC(N)=O)C[C@H]1C 1206586423 ZPGRWVBVWMNUOS-GMTAPVOTSA-N 312.370 -0.791 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CCCN(C(=O)CN(C)C(C)=O)C1 1207440311 APNFHPTWWDPHSD-GXTWGEPZSA-N 324.425 -0.264 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCCN(C(=O)c2ccnn2C)C1 1207604059 XEBZNRZOJVZYMJ-QWHCGFSZSA-N 317.393 -0.248 30 20 DBED CCn1ccc(C(=O)N2CCC[C@H](NCC(=O)NCC#N)C2)n1 1209951376 KORLVQQDAXLOGU-LBPRGKRZSA-N 318.381 -0.263 30 20 DBED CCCNC(=O)CN1C[C@@H](NC(=O)C#CC(C)C)[C@H](OC)C1 1212233853 IJCDBVUDPBBVEZ-ZIAGYGMSSA-N 309.410 -0.013 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)c2cnn(CC)c2)C[C@H]1C 1214351827 FMVWIRCIRRYTHU-TZMCWYRMSA-N 317.393 -0.298 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@]2(F)CCOC2)C[C@H]1C 1215392934 HOYDRRLAYCUECZ-JMSVASOKSA-N 311.357 -0.699 30 20 DBED CC(C)NC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H](C)C#N 1217527750 GUDDQDYQHHQIHA-RWMBFGLXSA-N 308.382 -0.418 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2cc(C)no2)C[C@@H]1O 1219612007 VBDIKCFVFNPYJW-KGLIPLIRSA-N 307.350 -0.316 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)CCN2C(=O)CCC2=O)C1 1219967348 QOTADUNPPFWNCX-NEPJUHHUSA-N 309.366 -0.737 30 20 DBED C#CCOCCC(=O)N1C[C@H]2CCN(CCn3cncn3)C[C@H]21 1221542686 RFGJXRIKWIFBLR-HUUCEWRRSA-N 317.393 -0.149 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)c2cc(C)nn2C)CC1 1226285715 YXQQIHAWRWOJDM-UHFFFAOYSA-N 317.393 -0.328 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)CCc2cnc[nH]2)CC1 1227705512 KJIGHCUNUDEDEY-UHFFFAOYSA-N 317.393 -0.328 30 20 DBED C=CCN(CC=C)C(=O)CN1CC[C@@H]1CN(C)C(=O)CC(N)=O 1231358298 FOCUHVTUSQFFNO-CYBMUJFWSA-N 322.409 -0.405 30 20 DBED CN(C[C@H]1CCN1CC(=O)NCC#N)C(=O)CCc1cnc[nH]1 1235122600 INIBYQONOCTIOW-CYBMUJFWSA-N 318.381 -0.485 30 20 DBED C=CC[C@@H]1NC(=O)N(CCS(=O)(=O)N2CCCC2)C1=O 1262384727 NINJDDXISGQYDD-JTQLQIEISA-N 301.368 -0.092 30 20 DBED C[C@@H]1[C@@H](NC(=O)C#CC2CC2)CCN1C(=O)CCNC(N)=O 1287876114 OAOBKUAJECWTSC-PWSUYJOCSA-N 306.366 -0.436 30 20 DBED CN1C[C@@H](NC(=O)CCN/C(O)=C2/N=CC=CC2=O)CC1=O 1318697382 RFWBRYMICHFLJO-GEUDXBDSSA-N 306.322 -0.750 30 20 DBED CCNC(=O)C(C)(C)CNC(=O)C(=O)Nc1cnn(CC#N)c1 1319437722 DCHQURCVSFCLAP-UHFFFAOYSA-N 320.353 -0.376 30 20 DBED C=CC[C@@H](NC(=O)NCCCN(C)S(=O)(=O)CC)C(=O)O 1321277417 NLZJTSBEPPWSBG-SNVBAGLBSA-N 321.399 -0.014 30 20 DBED N#C[C@]1(F)CCN(C(=O)C(=O)NCCC(=O)N2CCCCC2)C1 1324726624 WYGWCESOHORRPW-OAHLLOKOSA-N 324.356 -0.031 30 20 DBED C[C@H]1CN(C)C(=O)CN1C(=O)C(=O)N1CCC(C)(C#N)CC1 1325290958 URTFLTKNTPGLHS-NSHDSACASA-N 306.366 -0.172 30 20 DBED CC#CC[C@@H](CO)NC(=O)NC[C@H]1CCCS(=O)(=O)C1 1325991984 YYSLDDMBHMWNRJ-NEPJUHHUSA-N 302.396 -0.115 30 20 DBED C#C[C@H](NC(=O)C(=O)NCc1nnc(C)s1)[C@H]1CCCO1 1327228279 XSCAXGVRIRVONG-VHSXEESVSA-N 308.363 -0.240 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)c1cc(S(N)(=O)=O)cn1C 1328275539 ZOBRNJVUWGPLFN-QMMMGPOBSA-N 315.351 -0.828 30 20 DBED COC[C@H](NC(=O)C(=O)N1CC[C@@](O)(CC#N)C1)c1ccco1 1328286210 MSHXLLIXJJVFSU-NHYWBVRUSA-N 321.333 -0.040 30 20 DBED C=CC[C@@H](CC)NC(=O)C(=O)NC1CC(NS(C)(=O)=O)C1 1328644733 IPFFEOPMFHTHSN-KPPDAEKUSA-N 317.411 -0.346 30 20 DBED C=C(CC)CNC(=O)C(=O)N1CCN(C(C)(C)C(N)=O)CC1 1328941528 HUWSACIDNBCQAP-UHFFFAOYSA-N 310.398 -0.523 30 20 DBED N#Cc1cccc(NC(=O)C(=O)NC[C@H]2CCCNC2=O)n1 1329297882 GDPVTSTZOYJLJX-SECBINFHSA-N 301.306 -0.466 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)Nc1c(C(=O)OC)cnn1C 1330361182 FWQRXZXKLHWRQQ-QMMMGPOBSA-N 310.310 -0.538 30 20 DBED C=C[C@@H](COC)NC(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 1330992187 MFBRMFMJBVXNOK-WDEREUQCSA-N 305.400 -0.089 30 20 DBED CC1(C)CCN(CCNC(=O)C(=O)N2CCO[C@@H](C#N)C2)C1 1336431866 RUFNNFJYXOJPLG-LBPRGKRZSA-N 308.382 -0.415 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCC1(O)CCS(=O)(=O)CC1 1339388308 HFKCYSFENZBEES-LBPRGKRZSA-N 314.407 -0.860 30 20 DBED C#CCSCCNC(=O)C(=O)NC[C@@H]1CCS(=O)(=O)C1 1345116714 IKOWAAJWWNAWQH-JTQLQIEISA-N 318.420 -0.980 30 20 DBED C=C[C@H](CO)NC(=O)c1cc(OC)c(S(N)(=O)=O)s1 1347876380 BREDGAWSNHKRQK-ZCFIWIBFSA-N 306.365 -0.319 30 20 DBED C#CC1CCN(C(=O)NCc2nnc3c(=O)[nH]ccn23)CC1 1349875320 VEDUARCMIKDSGU-UHFFFAOYSA-N 300.322 -0.028 30 20 DBED C[C@H](C(=O)N[C@@H](CO)Cc1cnn(C)c1)n1cnc(C#N)n1 1363100755 MTUPGUCITZDQOJ-MWLCHTKSSA-N 303.326 -0.836 30 20 DBED N#C[C@H]1CN(S(=O)(=O)c2ccc3[nH]c(=O)cnc3c2)CCO1 1365037152 XHOUAJNOAJXZBK-VIFPVBQESA-N 320.330 -0.164 30 20 DBED C[C@H](C#N)C(=O)NC1CN(C(=O)CCC(=O)N2CCOCC2)C1 1374748529 CXAQQBARPGJJPH-LLVKDONJSA-N 322.365 -0.888 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@@H](CNC(=O)CCc2nc[nH]n2)C1 1384932950 BQMIBSLWFFTRCS-MXWKQRLJSA-N 304.354 -0.092 30 20 DBED CCCS(=O)(=O)CC(=O)N[C@@H](C)CNC(=O)[C@@H](C)C#N 1386458134 RGNYGXBLUUFMEI-UWVGGRQHSA-N 303.384 -0.408 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CCCN(C(=O)Cn2cncn2)C1 1386625036 PSYUPYDXKJHPDX-RYUDHWBXSA-N 304.354 -0.113 30 20 DBED CCN(CCNC(=O)c1cn(C)c(=O)nc1O)C(=O)[C@@H](C)C#N 1387208939 YWOFKQSEDHARKW-VIFPVBQESA-N 321.337 -0.776 30 20 DBED Cc1ncncc1C(=O)NC[C@]1(O)CCN(C(=O)[C@@H](C)C#N)C1 1394634162 YRCWUDOLPGQXLW-ZUZCIYMTSA-N 317.349 -0.362 30 20 DBED C[C@H](C#N)C(=O)N1CC(NC(=O)[C@@H](NC(N)=O)C(C)(C)C)C1 1398651110 WYKVJRKNHKVSJZ-PSASIEDQSA-N 309.370 -0.444 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1ccc2cccnn12 1410139706 QXKXEDZHDVTIOK-ZYHUDNBSSA-N 315.333 -0.299 30 20 DBED CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)c1c[nH]c(C#N)c1 1411645617 MLBRXEPMPFORSF-SNVBAGLBSA-N 324.362 -0.738 30 20 DBED C[C@@H]1[C@@H](C)[S@](=O)CCN1C(=O)Cn1cc(C#N)c(O)nc1=O 1412089255 WFCTWJWHSNAEFP-PGJXFVMDSA-N 324.362 -0.812 30 20 DBED CCCN1CC[C@@H](NC(=O)Cn2cc(C#N)c(O)nc2=O)C1 1413323920 WIQYHBUNYOKWID-LLVKDONJSA-N 305.338 -0.579 30 20 DBED COCc1nn(C)cc1C(=O)N1CC(NC(=O)[C@H](C)C#N)C1 1432336701 HBPSRBLPLYQHKW-SECBINFHSA-N 305.338 -0.333 30 20 DBED CN(C[C@@H](O)CNCc1cnns1)C(=O)c1cc(C#N)c[nH]1 1441956244 DNZDKXSUUMTEFS-JTQLQIEISA-N 320.378 -0.039 30 20 DBED Cc1cc(OCC(=O)N(C)C[C@H](O)CNC(=O)[C@@H](C)C#N)no1 1444662998 MISKJWPRWOJAJV-GXSJLCMTSA-N 324.337 -0.543 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](C)CCNC(=O)CCn1cnccc1=O 1455098074 QTTKKNXIUDMRJI-NWDGAFQWSA-N 319.365 -0.196 30 20 DBED CCOCC(=O)N(C)CCN1CCN(C(=O)[C@@H](C)C#N)CC1 1456061019 JLTHWQYALOUEDF-ZDUSSCGKSA-N 310.398 -0.215 30 20 DBED CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)Nc1ccc(C#N)cn1 1467096800 BJTAOMWPTKNVBP-VHSXEESVSA-N 310.335 -0.113 30 20 DBED Cn1c(=O)[nH]c(N2CC(=O)N[C@@H]3CCCC[C@@H]32)c(C#N)c1=O 1472729840 UKKGGDUEJCHRRG-ZJUUUORDSA-N 303.322 -0.807 30 20 DBED C=C(Cl)CN(CC)CCNC(=O)Cn1ncn(C)c1=O 1480984814 OSENNTRVNLUWHV-UHFFFAOYSA-N 301.778 -0.228 30 20 DBED COCC#CCN[C@H]1CCN(C(=O)c2cc(=O)n(C)cn2)C1 1491732967 WIGSQPSNVYYNOY-LBPRGKRZSA-N 304.350 -0.766 30 20 DBED C[C@@H](C#N)C(=O)NC1CN(C(=O)Cc2nnn(C(C)(C)C)n2)C1 1498383505 CZLSCZMLQMXFBR-VIFPVBQESA-N 319.369 -0.543 30 20 DBED COC[C@H](OC)C(=O)NC1CN(C(=O)c2cc(C#N)c[nH]2)C1 1498403703 QFYSZUUDKGUSKF-LBPRGKRZSA-N 306.322 -0.512 30 20 DBED C=CCn1cc(C(=O)N2CCC[C@@H]2CN[C@@H](C)C(=O)NC)nn1 1499930944 FJFSTILORVVPMC-NWDGAFQWSA-N 320.397 -0.207 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1cnn2cccnc12 1501591565 LORXMCHKNSDEAU-UWVGGRQHSA-N 316.321 -0.904 30 20 DBED CC(=O)N(C)CC(=O)NCC1(NC(=O)c2c[nH]c(C#N)c2)CC1 1505953829 FGGVEJBOCCFUGR-UHFFFAOYSA-N 317.349 -0.257 30 20 DBED CC[C@H](CNC(=O)CN(C)C(=O)COC)NC(=O)[C@H](C)C#N 1531250765 WSAUQLLBGHAXCP-GHMZBOCLSA-N 312.370 -0.738 30 20 DBED C#C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)O)c([N+](=O)[O-])c1 1573303499 YJXXFHJESXELEF-ZETCQYMHSA-N 314.275 -0.435 30 20 DBED C#CC[C@@H](CO)NC(=O)NC[C@@H](N1CCNCC1)C(F)(F)F 1574505489 WLWATFBQKLFKMN-WDEREUQCSA-N 322.331 -0.494 30 20 DBED COCC#CCN1CC[C@H]1CNC(=O)CCOCc1cnn[nH]1 1576951507 AWQILKLBDXGFFZ-AWEZNQCLSA-N 321.381 -0.448 30 20 DBED C[C@@H](CN(C)CCCN(C)C)NC(=O)N[C@@H]1CNC[C@@H]1C#N 1579397282 PJLHPBUJDITNFW-MELADBBJSA-N 310.446 -0.331 30 20 DBED C=CCOC[C@H](NC(=O)CSc1n[nH]c(O)n1)C(=O)O 1588856908 RXYYPODWMGFHOW-LURJTMIESA-N 302.312 -0.626 30 20 DBED C=CCOC[C@@H](NC(=O)c1cccc(C(=O)NC)n1)C(=O)O 1588861254 DNJSORCRSGFRRR-LLVKDONJSA-N 307.306 -0.173 30 20 DBED CCn1cnnc1CCNc1cnc(C#N)c(-c2nn[nH]n2)n1 1590963021 IGNQFMJSXCYFEC-UHFFFAOYSA-N 311.313 -0.206 30 20 DBED CCN(C[C@@H](C)C#N)C(=O)COC(=O)Cn1cc(C(=O)O)nn1 1596231900 WFWXBEVEJCJXSY-VIFPVBQESA-N 323.309 -0.472 30 20 DBED COc1cc(C(=O)O)sc1S(=O)(=O)NCC#CCO 1599384990 IEWNPYCCLVJHTI-UHFFFAOYSA-N 305.333 -0.271 30 20 DBED C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C#N)C2)C[C@@H](C(=O)O)O1 1599850310 ZWEKNLCENIVHED-MXWKQRLJSA-N 309.322 -0.551 30 20 DBED C#CCN1CCC[C@H](NC(=O)N2C[C@@H](O)C[C@H](C(=O)O)C2)C1 1602720788 HJRNRWPJCWVUSE-AVGNSLFASA-N 309.366 -0.439 30 20 DBED N#CC1(CNS(=O)(=O)c2cccnc2-c2nn[nH]n2)CC1 1606343285 KUIJTINXWMFCCF-UHFFFAOYSA-N 305.323 -0.156 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N[C@H]2C[C@@H](C(=O)O)C2)nn1 1609485027 BWSYMMDKOSAWHA-DTORHVGOSA-N 307.310 -0.940 30 20 DBED C[C@@H](C(=O)O)S(=O)(=O)NC(=O)COc1ccccc1C#N 1609642092 CSSOBVPTOHWHOU-QMMMGPOBSA-N 312.303 -0.144 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)Cc2n[nH]c(C)n2)C1 1715003672 XBZJWNDQDDPSBN-LLVKDONJSA-N 306.370 -0.852 30 20 DBED C=CCNC(=O)[C@@H](C)N(C)CCCNC(=O)[C@@]1(C)CCNC1=O 1752060255 OGOKFSQEJMXAQT-MLGOLLRUSA-N 324.425 -0.359 30 20 DBED C#CCO[C@@H](C)C(=O)NCCN1CCN([C@H](C)COC)CC1 1752366314 WNMLFYMDOITZDN-CABCVRRESA-N 311.426 -0.207 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@H](NCc1nc(O)n[nH]1)C1CC1 1752461219 XVFMEKOMVZSSBU-IINYFYTJSA-N 309.370 -0.178 30 20 DBED CCOC1CC(C(=O)N[C@H]2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]32)C1 1752843898 MOZCFRPOKRBWAE-KJZWCNOPSA-N 320.393 -0.512 30 20 DBED N#CCN1CCC[C@H]1CCCNC(=O)C[C@@H]1NC(=O)NC1=O 1753029905 LUIPZNWIARHVSU-MNOVXSKESA-N 307.354 -0.531 30 20 DBED C=CCNC(=O)CN1CCC[C@H]1CNC(=O)c1cncnc1 1753100895 HTCDNZBKWPQNHZ-ZDUSSCGKSA-N 303.366 -0.027 30 20 DBED C#CCNC(=O)[C@H](C)NCCN(C)C(=O)CCn1cccn1 1753170909 PNLZOFLFPPSMGH-ZDUSSCGKSA-N 305.382 -0.541 30 20 DBED C=C[C@@H](CC)CC(=O)NC1CN(CCNS(C)(=O)=O)C1 1753384805 AECSPONKUWUTNR-NSHDSACASA-N 303.428 -0.062 30 20 DBED C#CCNC(=O)CN1CC(CNC(=O)C[C@@H](C)[C@@H]2CCCO2)C1 1753414940 VOMUPYAXPQSJNK-HIFRSBDPSA-N 321.421 -0.011 30 20 DBED CC#CCN1CC[C@H](N(C)C(=O)[C@@H](C)NS(=O)(=O)CC)C1 1753436297 ITGROLFDOQJYLU-OLZOCXBDSA-N 315.439 -0.130 30 20 DBED C=CCNC(=O)[C@@H](C)NC[C@@H](C)NC(=O)Cn1cc(C)cn1 1754220810 RYAPUSDADYQYGO-CHWSQXEVSA-N 307.398 -0.023 30 20 DBED C=CCNC(=O)CN(C)C[C@@H](C)NC(=O)Cc1ccn(C)n1 1754309556 BRPOBYXEBWNUQM-GFCCVEGCSA-N 307.398 -0.299 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C1CN(C[C@@H]2CCc3ncnn32)C1 1754575170 NLNUTMKRDLIGJY-STQMWFEESA-N 317.393 -0.054 30 20 DBED COCC#CCNC1(CNC(=O)c2ncn(C)n2)CCOCC1 1754737510 ACCVSTLITFIINE-UHFFFAOYSA-N 321.381 -0.667 30 20 DBED C#CCNC(=O)CN1C[C@H]2CN(C(=O)CN(C)CCC)C[C@H]2C1 1754846831 WLVWUWXUXPDHFG-GASCZTMLSA-N 320.437 -0.532 30 20 DBED C#CCN1CCC[C@@](CO)(NC(=O)c2cnn3cc[nH]c23)C1 1754861159 KKSHUMKFGJCXRI-OAHLLOKOSA-N 301.350 -0.148 30 20 DBED C=CCNC(=O)CN1CCOC[C@@H]1CNC(=O)C#CC(C)C 1754968265 ZWJFHSTZJAMBGR-AWEZNQCLSA-N 307.394 -0.235 30 20 DBED C=CCCN1CC([C@H](C)NC(=O)CNC(=O)CNC(C)=O)C1 1755379273 WFYCWXHHISRMIW-NSHDSACASA-N 310.398 -0.749 30 20 DBED C#CCNC(=O)CNC[C@H](O)CN(C)C(=O)c1ccoc1CC 1755777049 GBLLYPSWYMCPDE-LBPRGKRZSA-N 321.377 -0.386 30 20 DBED C#Cc1cncc(C(=O)N(C)C[C@H](O)CNCC#CCOC)c1 1755788804 ZXVZTIVXKBWUPL-MRXNPFEDSA-N 315.373 -0.265 30 20 DBED C#CCN(C)C[C@@H](O)CN(C)C(=O)Cn1ccc(C)cc1=O 1755804758 HWQPJAHHEQIUFO-CQSZACIVSA-N 305.378 -0.459 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)[C@H](C)CNC(=O)Cn1ccnc1 1756041849 KOBSRZFLPRLADP-OLZOCXBDSA-N 306.366 -0.116 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)c2ccnnc2C)C[C@H]1O 1756985871 UERXDYLQJJYCJV-CHWSQXEVSA-N 320.349 -0.711 30 20 DBED C=CCCCC(=O)N[C@@H]1CN(C(=O)Cc2nc[nH]n2)C[C@@H]1O 1757207454 YHGSFTNRUIQXPS-MNOVXSKESA-N 307.354 -0.609 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@H](NC(=O)CC(=O)NCC)[C@H]1C 1757506714 BINMFWUCPLCFKL-UPJWGTAASA-N 323.393 -0.344 30 20 DBED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc[nH]n1 1796034091 CHJIBQGWRJBEHU-PTEHBNRSSA-N 317.349 -0.579 30 20 DBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc[nH]n1)CCO2 1831768709 ZQKYWOSNLPDWDL-HNNXBMFYSA-N 318.333 -0.887 30 20 DBED C#CCNC(=O)[C@@H](C)OC(=O)CN1C(=O)c2ccccc2C1=O 22747625 HKVHVEJFCCPWPP-SNVBAGLBSA-N 314.297 -0.036 30 20 DBED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)C(=O)OC)cc1 32979599 SHSZJDJDYNRVRI-JTQLQIEISA-N 324.358 -0.111 30 20 DBED CN1CCN(S(=O)(=O)N2CCN(CCC#N)CC2)CC1 76176566 IBSIDMGXOFUYQZ-UHFFFAOYSA-N 301.416 -0.990 30 20 DBED CCN(CCC#N)C(=O)Cn1cc(C(C)=O)c(=O)n(C)c1=O 129500562 VDBFBFFVWWHGGX-UHFFFAOYSA-N 306.322 -0.488 30 20 DBED N#Cc1cc(F)ccc1S(=O)(=O)NC[C@H]1CN2CCN1CC2 178878606 JNVHAJDQZXJMPY-ZDUSSCGKSA-N 324.381 -0.025 30 20 DBED CN1CC[C@@H](C/N=C(\N)N2CCN(c3ncccn3)CC2)C1 264095992 MQSKRLVDAQZBGI-ZDUSSCGKSA-N 303.414 -0.135 30 20 DBED C=CCn1c(C(=O)NC(C)C)nnc1N1CCN(C)C(=O)C1 282427848 YIGAXFLMYZQXGU-UHFFFAOYSA-N 306.370 -0.119 30 20 DBED CN(CCOCCO)C(=O)C(=O)NCc1cccc(C#N)c1 284047750 PXBPWKHDNGVFBM-UHFFFAOYSA-N 305.334 -0.358 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(C)[C@H](C)C(C)(C)O)C1=O 297035917 UPWUXQMNNAFOLS-SECBINFHSA-N 311.338 -0.419 30 20 DBED C#Cc1cccc(NC(=O)CN(C)CC(=O)NCC(=O)OC)c1 298739371 RUIBZGLYPSWAQB-UHFFFAOYSA-N 317.345 -0.173 30 20 DBED COCCn1ccc(N/C(O)=N/[C@H]2CCCS(=O)(=O)C2)n1 329723477 BHQNJOMAAXYLBI-JTQLQIEISA-N 316.383 0.433 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)NCCN1CCCOCC1 331949505 ZILDMLWXLSZQGA-GFCCVEGCSA-N 304.416 -0.365 30 20 DBED CCc1c(C(=O)N(C)CC#N)cnc2c1c(=O)n(C)c(=O)n2C 332716387 MLFKTUVPEFKLFG-UHFFFAOYSA-N 315.333 -0.210 30 20 DBED COCCCOCCN(C)S(=O)(=O)N1CCO[C@@H](C#N)C1 336890403 MUGRRGDJNAWHJB-LBPRGKRZSA-N 321.399 -0.560 30 20 DBED CCOCCOC[C@H](O)CNS(=O)(=O)N(C)C[C@@H](C)C#N 337179435 LLYKALHDXOUWKX-NWDGAFQWSA-N 323.415 -0.674 30 20 DBED COCCN1CCN(S(=O)(=O)N(C)[C@H](C)CC#N)CC1 337865135 NVRYPVOAOYDARH-GFCCVEGCSA-N 304.416 -0.271 30 20 DBED Cn1nncc1S(=O)(=O)NCC(=O)c1ccc(C#N)cc1 341098722 YWVCTFJJPNHAHT-UHFFFAOYSA-N 305.319 -0.152 30 20 DBED C[C@@H]1CN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C[C@@H]1O 355529217 KJFPZZNHWOAJHO-MFKMUULPSA-N 323.374 -0.324 30 20 DBED CC(C)Oc1ccc(NC(=O)C(=O)NCC(=O)NCC#N)cn1 357313710 RBIHMBJWINVBLC-UHFFFAOYSA-N 319.321 -0.437 30 20 DBED CN1CCOC[C@H]1C(=O)N1CCN(c2ncccc2C#N)CC1 408029808 JIPCWSCQRHAFIG-AWEZNQCLSA-N 315.377 -0.068 30 20 DBED N#Cc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(N)=O)O2)s1 435421969 JXOCVSWMYDMXHY-VXNVDRBHSA-N 315.376 -0.069 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)c2coc(CN)c2)CC1 444172048 YYUBRAJFZLFIQI-UHFFFAOYSA-N 306.366 -0.202 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@@]2(F)CCOC2)CC1 491192948 UGMJGKCLSYEMKL-OAHLLOKOSA-N 311.357 -0.601 30 20 DBED C#CCN1CCN(S(=O)(=O)CC2(C(=O)OC)CCC2)CC1 491780053 HZZSWNDYBBAKMQ-UHFFFAOYSA-N 314.407 -0.090 30 20 DBED CN(CC(=O)NC1(C#N)CCC1)[C@@H]1CCN(S(C)(=O)=O)C1 580612428 BPCPDVLFKZJKIU-LLVKDONJSA-N 314.411 -0.485 30 20 DBED N#CCCN1CCN(C(=O)C(=O)NCc2ccncc2)CC1 602223057 LKCHNYCJBPCKLH-UHFFFAOYSA-N 301.350 -0.244 30 20 DBED C=C[C@H](O)C(=O)NC[C@@H](O)COc1ccc2c(c1)CCC(=O)N2 612419282 OGDUYJKQCOUIMA-RISCZKNCSA-N 320.345 -0.026 30 20 DBED C=CCC[C@@H](CO)NC(=O)NC1CC(NS(C)(=O)=O)C1 655897824 CTEQPKXSPHWJRZ-WHXUTIOJSA-N 305.400 -0.307 30 20 DBED C=CCN(CC=C)C(=O)COC(=O)c1cn(CC(N)=O)nn1 745470928 MJHPPVFSBSKACJ-UHFFFAOYSA-N 307.310 -0.879 30 20 DBED CCN(CC(=O)NC)CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 774567790 UZBNMSHADBPNFJ-CQSZACIVSA-N 323.441 -0.253 30 20 DBED N#CCn1cc(NC(=O)C(=O)N2CCOC[C@H]2C2CC2)cn1 785007845 VLNURBSEIYWHMS-LBPRGKRZSA-N 303.322 -0.017 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N1CC[C@](C)(C(N)=O)C1 793043140 HMGSCSHOQPPJTH-LBPRGKRZSA-N 303.384 -0.506 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)CCNC(=O)NC 795619566 WCIMRIQZFGCHLF-QMMMGPOBSA-N 300.315 -0.751 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)CCn1cnccc1=O 796319399 PZGWNRYIXZNLPV-JTQLQIEISA-N 322.321 -0.423 30 20 DBED C#CCONC(=O)[C@@H](CC)N=c1nn[nH]n1-c1ccccc1 812782512 VZFXMSMQCLWAPY-GFCCVEGCSA-N 300.322 -0.044 30 20 DBED C#CC[C@H](CO)NC(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1 816675267 WWXVQGSGYPSBOJ-RISCZKNCSA-N 314.345 -0.393 30 20 DBED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCNC1 832397891 HGEJXDVUUQZJRL-SNVBAGLBSA-N 322.390 -0.407 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N1CCN(CCC#N)CC1 875598249 SYWBNRFBUGVBFE-CQSZACIVSA-N 320.393 -0.411 30 20 DBED N#Cc1ccc(N2CCN(C(=O)[C@H]3CNCCO3)CC2)cn1 877297329 RCUKGPNJQLSQFO-CQSZACIVSA-N 301.350 -0.410 30 20 DBED C#CC1(O)CN(C(=O)NCc2ccc(N3CCOCC3)nc2)C1 891696420 PPPCELRVDCHCOZ-UHFFFAOYSA-N 316.361 -0.192 30 20 DBED C=CC[C@H](CO)CNC(=O)Cn1cccc(C(=O)OC)c1=O 935234813 FFBQCPROZLVBOE-NSHDSACASA-N 308.334 -0.064 30 20 DBED C=C[C@](C)(CC)C(=O)N1CC[C@H](NC(=O)Cn2cnnn2)C1 937656785 CFQMWQOCAXLLDD-SMDDNHRTSA-N 306.370 -0.008 30 20 DBED Cn1cnc(C(=O)N[C@@H]2CCN(C(=O)C#CC3CC3)C2)cc1=O 941249448 ZLZPWWWQYZKEHE-GFCCVEGCSA-N 314.345 -0.476 30 20 DBED Cc1cc(C(=O)NC[C@@H]2CN(C(=O)[C@@H](C)C#N)CCO2)n(C)n1 944501391 UZOJWRZJAVGJDI-CMPLNLGQSA-N 319.365 -0.155 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)c2ccnc(O)c2)C1 944543553 XOFOGDBMUASYOP-PWSUYJOCSA-N 318.333 -0.096 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N(C)C(=O)Cn2nccn2)C1 954372109 TXTKUMUDGBZXPV-OLZOCXBDSA-N 319.365 -0.462 30 20 DBED CCN1CCOC[C@H]1C(=O)N(C)C1CN(C(=O)[C@H](C)C#N)C1 954683639 MJTFRLUEYXNWKU-YPMHNXCESA-N 308.382 -0.464 30 20 DBED N#Cc1cc(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)N(C(=O)C(N)=O)C3)c[nH]1 957972432 FOMFVWRBDPHFHM-PEXQALLHSA-N 315.333 -0.519 30 20 DBED Cn1cc(C(=O)NC[C@H]2CN(CC#N)C[C@H]2O)c(C2CC2)n1 958100607 CVVUMQWVJQNQNM-WCQYABFASA-N 303.366 -0.156 30 20 DBED C#CCCN1C[C@H](O)[C@H](CNC(=O)c2cc3n(n2)CCO3)C1 958135443 NOEAPBLNCQGARN-YPMHNXCESA-N 304.350 -0.679 30 20 DBED N#CCN1C[C@@H](O)[C@@H](CNC(=O)c2nc[nH]c3nccc2-3)C1 958220102 SOVAVSGIFXPUSA-GXSJLCMTSA-N 300.322 -0.544 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2ccc3nonc3c2)C1 958360619 OBBONONHQALZSJ-BXUZGUMPSA-N 300.318 -0.122 30 20 DBED C=CCN1C[C@H](CNC(=O)c2ccc(=O)n(CCC)n2)[C@@H](O)C1 958662537 VDCFLKQHVKYOCU-JSGCOSHPSA-N 320.393 -0.138 30 20 DBED CC#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cccnc2C(N)=O)C1 958715846 IUNZFJJUBPQXCY-WCQYABFASA-N 316.361 -0.774 30 20 DBED C=CCN1C[C@H](CNC(=O)c2noc3c2COCC3)[C@@H](O)C1 958725280 XGLNWIMPNDIAKD-JQWIXIFHSA-N 307.350 -0.044 30 20 DBED CN(C)c1ccnc(C(=O)NC[C@H]2CN(CC#N)C[C@@H]2O)c1 958739880 GFENPKCAFYSABE-FZMZJTMJSA-N 303.366 -0.306 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@H](NC(=O)[C@@H]2CCCN2C)C1 961930739 GFYVZOFBQAJGKP-AGIUHOORSA-N 309.410 -0.019 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CN(C(=O)[C@]3(C)CNC(=O)C3)C[C@H]2C1 961940797 VKPALYXCWWOHIJ-OVZMXSCWSA-N 318.377 -0.411 30 20 DBED C=CCCN1C[C@@H]2C(NC(=O)CN3C(=O)CN(C)C3=O)[C@H]2C1 962493262 SIDCPWBSAIWBPV-QWRGUYRKSA-N 306.366 -0.497 30 20 DBED Cc1nnc(CC(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2O)o1 962685429 DNGKLFNCZBYHMN-NEPJUHHUSA-N 318.333 -0.978 30 20 DBED C#CCN1C[C@@H]2C(NC(=O)c3ccnc(-n4cncn4)c3)[C@H]2C1 963013487 CUFHZECFUSTMON-STQMWFEESA-N 308.345 -0.045 30 20 DBED C#CCN1CCC(C(=O)N[C@@H]2CN(C(=O)COC)C[C@@H]2C)CC1 966082999 RFXGEFCNWIJRJA-DZGCQCFKSA-N 321.421 -0.059 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)C2CCN(C)CC2)C1 968452675 MXWIKJWQPZHZOH-RTXFEEFZSA-N 308.382 -0.824 30 20 DBED CS(=O)(=O)CC(=O)N1[C@H]2CC[C@H]1CN(C(=O)C#CC1CC1)C2 968622076 JWILINRHONQCDW-STQMWFEESA-N 324.402 -0.354 30 20 DBED C#CCCN1CCO[C@]2(CCN(C(=O)c3cc(=O)n(C)o3)C2)C1 972354070 WUBLCRYWDIKZCP-MRXNPFEDSA-N 319.361 -0.082 30 20 DBED C=CCN1CCO[C@]2(CCN(C(=O)[C@H]3CC(=O)N(C)C3)C2)C1 972410917 XBKNCEXZIGXCQY-XJKSGUPXSA-N 307.394 -0.046 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)[C@]3(C)CCC(=O)NC3)C2)C1 972511981 MZIRRNAHVPRBFH-IAGOWNOFSA-N 319.405 -0.161 30 20 DBED C#CCN1CCCC2(C1)CN(C(=O)CN1C(=O)CN(C)C1=O)C2 982143705 ASYZSCXUECZYAU-UHFFFAOYSA-N 318.377 -0.562 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@@H]2CCN(C(=O)c3nc[nH]n3)C2)c1 983115694 PGWSPWUWJZJKKN-VIFPVBQESA-N 313.321 -0.103 30 20 DBED Cn1nnc(CNC[C@H]2C[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)n1 983422690 MWIOILCVJIZGSA-HOMQSWHASA-N 314.353 -0.292 30 20 DBED CN1CCOC[C@H]1C(=O)N1CC(NC(=O)c2ccc(C#N)[nH]2)C1 990891139 WYSCUOJOFWGWSX-ZDUSSCGKSA-N 317.349 -0.842 30 20 DBED O=C(N[C@@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1O)c1cnccn1 991245511 OXLDUXCSWOGTMS-OCCSQVGLSA-N 314.345 -0.418 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC(NC(=O)Cc2ccc[nH]2)C1 992581374 KWPTZJPTDIGCOI-HNNXBMFYSA-N 314.389 -0.018 30 20 DBED CC1(C)CN(C(=O)CN2CCCS2(=O)=O)C[C@@H]1NCC#N 995888218 RYRLZYGRIUBSPI-NSHDSACASA-N 314.411 -0.628 30 20 DBED C#CCN[C@@H]1CCCN(C(=O)Cn2nc3ccccn3c2=O)C1 999836526 MBUVYAQQKBHZMW-CYBMUJFWSA-N 313.361 -0.290 30 20 DBED N#CCN1CC[C@@H](n2cc(CNC(=O)[C@H]3CCOC3)nn2)C1 999963461 QKQPFNXBNWEPJG-WCQYABFASA-N 304.354 -0.299 30 20 DBED N#CCN[C@@H]1CCCN(C(=O)CCn2cc[nH]c(=O)c2=O)C1 1000464919 IYXTUAVJLDRNAE-LLVKDONJSA-N 305.338 -0.969 30 20 DBED N#CCN1CCC[C@@H](NC(=O)c2cn([C@@H]3CCOC3)nn2)C1 1009128003 DMJGEFOZUNCUNH-VXGBXAGGSA-N 304.354 -0.043 30 20 DBED CN1CC[C@H](C(=O)NC2[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]23)C1 1013117669 LEFFYBKWPIQJBP-BFHYXJOUSA-N 301.390 -0.076 30 20 DBED C[C@@H]1[C@H](NC(=O)c2c[nH]c(C#N)c2)CCCN1C(=O)CC(N)=O 1014887320 YTVKPEYTTVSVAN-BXKDBHETSA-N 317.349 -0.129 30 20 DBED C#CCN1CCC2(CC1)C[C@H]2NC(=O)[C@@H]1COCCN1C(C)=O 1016985216 IVNNGBOSZLJCTP-LSDHHAIUSA-N 319.405 -0.162 30 20 DBED C[C@H](C#N)C(=O)N1CCC2(CN(C(=O)CCn3ccnn3)C2)C1 1018972197 KLFQHAVKJVQRLM-GFCCVEGCSA-N 316.365 -0.111 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCN(C(=O)[C@@H]3CCCNC3=O)C2)C1 1019367196 SBUYGDIHGHBYDJ-NWDGAFQWSA-N 318.377 -0.267 30 20 DBED C=CCN1CC[C@@H](N2C[C@H]3[C@H](NC(=O)[C@@H]4CCCO4)[C@H]3C2)C1=O 1025668282 UNNLTFBUOKGHQK-SEBNEYGDSA-N 319.405 -0.001 30 20 DBED CC#CCN1C[C@H]2[C@H](NC(=O)[C@@H]3CN4CCC[C@@H]4CO3)[C@H]2C1 1025798652 CIOJZSUTOUMMRO-OWYFMNJBSA-N 303.406 -0.081 30 20 DBED C#CCN[C@@H]1CC[C@H]2CN(C(=O)c3cn(CCOC)nn3)C[C@@H]21 1026263482 IRKBYZQRJUBUMJ-MELADBBJSA-N 317.393 -0.002 30 20 DBED Cn1cc(C(=O)N2C[C@@H]3[C@@H](CC[C@H]3NCC#N)C2)c(O)nc1=O 1026418967 MOGJAKOENXEMDP-HOSYDEDBSA-N 317.349 -0.550 30 20 DBED C=CCn1cc(C(=O)NC2CN(Cc3nncs3)C2)nn1 1031071254 NNPPDBOABOTJCG-UHFFFAOYSA-N 305.367 -0.070 30 20 DBED C=C(C)CN1CC[C@@H](N(C)C(=O)[C@@H]2CCS(=O)(=O)N2)C1 1033671087 LZNDKHVJUJJRAL-NEPJUHHUSA-N 301.412 -0.213 30 20 DBED C=C(C)CN1CC[C@@H](N(CC)C(=O)c2cn(CC(N)=O)nn2)C1 1034049276 MTABNHOBGBABCM-GFCCVEGCSA-N 320.397 -0.124 30 20 DBED COCCN1C[C@@H](C(=O)N[C@@H]2CCCCN(CC#N)C2)CC1=O 1034232939 ZIXHBSVERMPMTR-UONOGXRCSA-N 322.409 -0.024 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)c2ccn(CCOC)n2)C1 1035442281 KUMHXVGZVXCGQJ-ZDUSSCGKSA-N 306.366 -0.407 30 20 DBED COc1coc(C(=O)NC[C@H]2CN(CC#N)CCO2)cc1=O 1035445327 PGVPLSWZXVXBAJ-JTQLQIEISA-N 307.306 -0.397 30 20 DBED C#CCCN1CCO[C@H](CNC(=O)c2cnc(OC)nc2)C1 1035567284 DJEPIXWOLATZFH-CYBMUJFWSA-N 304.350 -0.061 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@@H](NCC(N)=O)[C@H](C)C2)nc1 1036259165 WEMHLBONOHIWIW-DGCLKSJQSA-N 300.362 -0.012 30 20 DBED N#CCN1CC[C@@H]1CNC(=O)[C@@H]1COCCN1CC(F)F 1038552971 OOJYPOGLQXIJDT-MNOVXSKESA-N 302.325 -0.334 30 20 DBED C=CCCC(=O)N1CC[C@](O)(CNC(=O)[C@H]2COC(=O)N2)C1 1039603039 SPUBVZBVZTYCDP-YGRLFVJLSA-N 311.338 -0.859 30 20 DBED CC(C)C#CC(=O)NC[C@@]1(O)CCN(C(=O)c2cnon2)C1 1039665232 HQTZFYKQMJCBCC-AWEZNQCLSA-N 306.322 -0.578 30 20 DBED Cn1cccc1C(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1O 1040917943 ZJJAZNROGWUNPE-DGCLKSJQSA-N 312.333 -0.334 30 20 DBED N#Cc1cc(C(=O)N2CC[C@]3(CCN(CC(N)=O)C3)C2)c[nH]1 1041221564 KEDSVXTZVSYRIB-HNNXBMFYSA-N 301.350 -0.090 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)c2cc(C)no2)C1 1042035647 RGUYAEIKDPRRJB-UHFFFAOYSA-N 309.322 -0.511 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)[C@H](C)n2cccn2)C1 1042936780 PONGMUZPDIQDOJ-ZDUSSCGKSA-N 318.377 -0.207 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)Cn2ccnc2)C1 1042942737 BTBZTBGETONVIT-UHFFFAOYSA-N 304.350 -0.768 30 20 DBED Cc1nccn1CC(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042963636 QGYMKNPJYLFLIF-UHFFFAOYSA-N 316.361 -0.706 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)[C@@H](CC)OC)C1 1043032749 HHCMVNWVKHYENK-GFCCVEGCSA-N 312.366 -0.859 30 20 DBED CCCn1nccc1C(=O)NCC1(O)CN(C(=O)[C@@H](C)C#N)C1 1043306241 KCTBOGYIQKHEHU-NSHDSACASA-N 319.365 -0.244 30 20 DBED COCCC1(C(=O)NCC2(O)CN(C(=O)[C@H](C)C#N)C2)CC1 1043344624 XCIVGUSHOOMQJM-LLVKDONJSA-N 309.366 -0.348 30 20 DBED C=CCCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2cnn[nH]2)C1 1043812011 VXKQYLOCUSLXBW-JTQLQIEISA-N 323.353 -0.911 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)CN(C)CCC)C1 1044297712 CQEWSZQOSHLRQJ-UHFFFAOYSA-N 309.410 -0.179 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)c2cnc(O)n2C)C1 1044475014 IMWHFUOTJSOXHB-UHFFFAOYSA-N 322.365 -0.359 30 20 DBED C=C[C@H](C)[C@H](C)C(=O)NCC1(O)CN(C(=O)c2[nH]nnc2C)C1 1044985828 NBTNLRFJSZRCIJ-UWVGGRQHSA-N 321.381 -0.126 30 20 DBED C=CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1045016934 ASYGPXWMXXZMLT-NDBYEHHHSA-N 324.377 -0.841 30 20 DBED C=C[C@@H](CC)CC(=O)NCC1(O)CN(C(=O)c2ncn(C)n2)C1 1045064481 SQVCCZMPQFSAHW-NSHDSACASA-N 321.381 -0.280 30 20 DBED C#CCCCCC(=O)N1CC(O)(CNC(=O)c2cccnn2)C1 1045231705 IRIYXZBVKXJRCC-UHFFFAOYSA-N 316.361 -0.027 30 20 DBED C=CCCCC(=O)NCC1(O)CN(C(=O)CCn2cncn2)C1 1045451069 JQSKKVDNTFRJLU-UHFFFAOYSA-N 321.381 -0.286 30 20 DBED C#CCN1CCC(C)(NC(=O)c2cc(=O)n3[nH]cnc3n2)CC1 1045620117 NSNURBSMWUTUEY-UHFFFAOYSA-N 314.349 -0.365 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cn(CCC=C)nn2)C1 1047557204 IMOKKNPOHWGIMW-KBPBESRZSA-N 303.366 -0.396 30 20 DBED CCOCCCC(=O)N(C)[C@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1O 1048356775 YDXNIGRQJJXXPY-AVGNSLFASA-N 311.382 -0.007 30 20 DBED C=CCCC(=O)N(C)[C@H]1CN(C(=O)Cc2cnn(C)c2)C[C@@H]1O 1048511011 ZYJWQVXSVIECIR-KBPBESRZSA-N 320.393 -0.041 30 20 DBED C=C[C@@](C)(O)CC(=O)N(C)[C@H]1CN(C(=O)c2ccon2)C[C@@H]1O 1048757482 GDFMXYDKVYKMKL-SLEUVZQESA-N 323.349 -0.355 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)c2ccn(C)n2)C[C@@H]1O 1049401283 DAVHCEAIQQWSAS-DLOVCJGASA-N 305.338 -0.777 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)c1cn(CCOC)nc1C 1050919891 UNAVVVSWCZCCSO-CQSZACIVSA-N 320.393 -0.098 30 20 DBED CC#CCN1CCOC[C@@H]1CNC(=O)c1ccc2nn[nH]c2n1 1050947367 VBJPQZSQGHLEEE-NSHDSACASA-N 314.349 -0.193 30 20 DBED C=CCn1cccc1C(=O)NC[C@@H]1COCCN1CC(=O)NC 1050956493 VNEREPORAMSPFG-CYBMUJFWSA-N 320.393 -0.149 30 20 DBED C#CCCN1CCOC[C@@H]1CNC(=O)c1ccc(C(N)=O)o1 1051013106 KJERMRIKLDJARL-NSHDSACASA-N 305.334 -0.168 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)CNC(C)=O)C[C@@H]1C 1051824157 GFFROGOARJTNDI-WCQYABFASA-N 311.382 -0.464 30 20 DBED C=CCCOCC(=O)NC[C@H]1CN(C(=O)CC(N)=O)C[C@@H]1C 1052264224 FHIXTOXBYKXTFP-RYUDHWBXSA-N 311.382 -0.335 30 20 DBED C=CCN1CC2(C1)CN(C(=O)[C@H]1CCCN(C(N)=O)C1)CCO2 1053332084 KXAKFOJOSHTYOK-ZDUSSCGKSA-N 322.409 -0.124 30 20 DBED CN1C[C@@H](C(=O)NC[C@@H]2CCC3(CN(CC#N)C3)O2)CCC1=O 1053701163 NPSIDWDZVIYBAR-STQMWFEESA-N 320.393 -0.272 30 20 DBED C=CCCN1CC2(C[C@@H](NC(=O)[C@@H]3CN(C)CCO3)CO2)C1 1053766406 MNSXXEJHRTUCRV-KGLIPLIRSA-N 309.410 -0.147 30 20 DBED C=CCO[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](CNC(=O)C(N)=O)C2 1054526513 BVJDLZGDSIFNCZ-RVMXOQNASA-N 323.393 -0.051 30 20 DBED N#Cc1cncc(N2CCN(C(=O)[C@H]3CCNC(=O)C3)CC2)n1 1055752962 FFFJHHQMWSASJO-NSHDSACASA-N 314.349 -0.477 30 20 DBED N#CCSCC(=O)N[C@]1(CO)CCCN(C(=O)C(F)F)C1 1055784782 ZWTBTZZUFNNTEF-GFCCVEGCSA-N 321.349 -0.022 30 20 DBED C=CCCC(=O)N1CCC[C@@](CO)(NC(=O)CC(=O)NC)C1 1055902209 NYSVCGLPTUHYGQ-OAHLLOKOSA-N 311.382 -0.442 30 20 DBED CN(c1nccnc1C#N)[C@@H]1CCN(C(=O)Cn2nccn2)C1 1056972640 NMSZKXXDPVHKFJ-LLVKDONJSA-N 312.337 -0.323 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)c1ccnn1C 1057151775 TXCFKHVWTYYBPH-UHFFFAOYSA-N 310.354 -0.827 30 20 DBED Cc1nc(CC(=O)N(CCO)CCNC(=O)C#CC2CC2)n[nH]1 1057541067 NQHXMYOSTNEWML-UHFFFAOYSA-N 319.365 -0.994 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)CCCn1cccn1 1057661367 QDMBNQJMUYSSNL-ZDUSSCGKSA-N 321.381 -0.240 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCN(CCO)C(=O)Cn1ccnc1 1057996335 GKJAZSNCOJPYCK-OAHLLOKOSA-N 324.381 -0.853 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1058226394 KEZJBFIRCBRAOS-IIEFLBBWSA-N 321.377 -0.493 30 20 DBED N#Cc1cncc(N2CC[C@H](NC(=O)[C@H]3CCC(=O)NC3)C2)n1 1058594071 HQODIHVPBZROMX-QWRGUYRKSA-N 314.349 -0.431 30 20 DBED C[C@@H](CC(=O)NCCN(CCO)C(=O)[C@H](C)C#N)n1cccn1 1058656911 MVZLWBVPAJYREJ-OLZOCXBDSA-N 321.381 -0.069 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)c1cccc(=O)n1C 1058778933 SNYRHEROOZAECT-UHFFFAOYSA-N 321.377 -0.098 30 20 DBED C[C@H](C#N)C(=O)NCC[C@H]1CCN(C(=O)C2(NC(N)=O)CC2)C1 1059498209 VZLRPQVXEKWFTQ-MNOVXSKESA-N 321.381 -0.298 30 20 DBED O=C1N[C@@H](C(=O)NCC[C@@H]2CCN(C(=O)C#CC3CC3)C2)CO1 1059620515 BOYIIJWTQMNJQJ-CHWSQXEVSA-N 319.361 -0.137 30 20 DBED C=CCCC(=O)NC[C@@H]1COCCN1C(=O)c1cnn(C)n1 1061405204 BRWIRKRARZGMPJ-LLVKDONJSA-N 307.354 -0.262 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)Cc1ncc[nH]1 1061846056 BFFDMLMVUTYYTA-MNOVXSKESA-N 305.338 -0.545 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)Cc1cncnc1 1061849031 YGRHRLOVSWNDKT-AAEUAGOBSA-N 317.349 -0.478 30 20 DBED Cn1cc(C(=O)N2C[C@@H]3CC[C@H](C2)N3c2ccc(C#N)nn2)nn1 1061957633 VPVXNCPRBZIFCS-TXEJJXNPSA-N 324.348 -0.030 30 20 DBED NC(=O)NCC(=O)NC[C@H]1CCCCN1C(=O)C#CC1CC1 1062201371 RVDYFBZXNMUDGJ-GFCCVEGCSA-N 306.366 -0.435 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CCCCN1C(=O)CCNC(N)=O 1062206292 KSKMXUSJCHQQDO-GHMZBOCLSA-N 309.370 -0.298 30 20 DBED C#CCCCC(=O)NC[C@H]1CCCCN1C(=O)[C@H]1CNC(=O)N1 1062329509 XRNNZCUAHCGWKT-CHWSQXEVSA-N 320.393 -0.031 30 20 DBED C[C@H](N=c1cc[nH]c(C#N)n1)[C@@H]1CCCN(C(=O)CC(N)=O)C1 1063874809 NPUSJJBCQXJLGL-WDEREUQCSA-N 316.365 -0.315 30 20 DBED CO[C@H](C)C(=O)NC[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)CCO1 1065052265 DAJIAJONCDKHMN-ZYHUDNBSSA-N 320.349 -0.122 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@H](CNC(=O)CN2CCCC2)C1 1065556508 IMTRKXURUQNEDG-CHWSQXEVSA-N 308.382 -0.415 30 20 DBED CN(C(=O)c1cocn1)[C@H]1CN(c2nccnc2C#N)C[C@@H]1O 1065577351 LYVIYDQZLNAMTJ-RYUDHWBXSA-N 314.305 -0.342 30 20 DBED C[C@@H](Nc1cnc(C#N)cn1)[C@H]1CCN(C(=O)CC(N)=O)C1 1065681046 SFIWSYDKVBVAKH-ZJUUUORDSA-N 302.338 -0.127 30 20 DBED N#Cc1cnc(N2CCOC[C@@H]2CNC(=O)c2cnon2)cn1 1066497001 KRFGSOQZLSGRRU-JTQLQIEISA-N 315.293 -0.634 30 20 DBED CC(C)(O)CC(=O)N1CCO[C@@H](CN=c2cc[nH]c(C#N)n2)C1 1066624136 UQTJPXQEXVJQGV-NSHDSACASA-N 319.365 -0.430 30 20 DBED C#CCO[C@H](C)C(=O)N(C)CCCN(C)C(=O)[C@@H]1CCNC1=O 1067431315 OYRQOOVJEWGLGI-CHWSQXEVSA-N 323.393 -0.532 30 20 DBED N#Cc1ccc(N2C[C@H](CNC(=O)c3ccncc3)[C@@H](O)C2)nn1 1067642970 NUFWBGZHJBZQLA-JSGCOSHPSA-N 324.344 -0.030 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@@H]2CN(c3ncccn3)C[C@H]2O)c1 1067660825 MAXWORSFRKUVKF-DGCLKSJQSA-N 312.333 -0.097 30 20 DBED N#Cc1nc(=NC[C@H]2C[C@H](NC(=O)[C@H]3CCNC3=O)C2)cc[nH]1 1068561206 GPPXEMYHWRSYHQ-DCAQKATOSA-N 314.349 -0.787 30 20 DBED CN(C(=O)[C@H]1CNC(=O)N1)C1CC(Nc2cnc(C#N)cn2)C1 1069792193 CNGIXLJXIBICLB-BOBPJJCASA-N 315.337 -0.569 30 20 DBED C=C(C)CN1C[C@H]2C[C@@H]3CN(C(=O)Cn4ncnn4)C[C@@]3(C1)O2 1070800165 UYUWMWMAMAABMF-UMVBOHGHSA-N 318.381 -0.449 30 20 DBED C#CCN1CCC2(C1)CN(C(=O)[C@@H]1CCCS(=O)(=O)C1)C2 1073025910 NFPKXTHXJUZNLS-CYBMUJFWSA-N 310.419 -0.021 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)[C@H]2CCCCN2C(N)=O)C1 1073854213 ZPYYOAIKXUMWBR-UONOGXRCSA-N 322.409 -0.240 30 20 DBED C=CCCC(=O)NCC[C@H](C)NC(=O)c1nnc(O)nc1O 1075882608 GGQYALXLKHLWSX-QMMMGPOBSA-N 309.326 -0.126 30 20 DBED C=CCOCC(=O)NCC[C@H](C)NC(=O)C[C@@H]1CCC(=O)N1 1075917929 OGQZYGDVUCCFKW-RYUDHWBXSA-N 311.382 -0.131 30 20 DBED C=CCn1cc(C(=O)NCC[C@H](C)NC(=O)CNC(C)=O)nn1 1076575857 LALNHOQSOJJCAM-JTQLQIEISA-N 322.369 -0.775 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)C1 1077088824 LRGRZEHMBMZWSA-YNEHKIRRSA-N 307.394 -0.572 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2cc(O)nc(C3CC3)n2)C1 1077189551 FZSWIRCHSDGYFY-VXGBXAGGSA-N 302.334 -0.532 30 20 DBED C=CCCOCC(=O)N1C[C@@H](O)[C@H](CNC(=O)C(F)F)C1 1081157771 JSZYZCMEQIGXPH-NXEZZACHSA-N 306.309 -0.220 30 20 DBED CC(F)(F)C(=O)NC[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1081182776 DJIHPWVXRODKTB-GHMZBOCLSA-N 300.305 -0.010 30 20 DBED CSCC(=O)NC[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1O 1081236273 AAFWWZZFQRIWHD-CMPLNLGQSA-N 322.390 -0.202 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2cnsn2)C1 1081300962 XYXLXRBBBZMDLA-ZYHUDNBSSA-N 322.390 -0.253 30 20 DBED N#CCSCC(=O)N1C[C@H](CNC(=O)c2cocn2)[C@@H](O)C1 1081341618 RYNQHANPTNEICH-ONGXEEELSA-N 324.362 -0.520 30 20 DBED C#CCCCC(=O)N1C[C@H](CNC(=O)CC(=O)N(C)C)[C@@H](O)C1 1081495775 ASVRKNGEAJWROU-STQMWFEESA-N 323.393 -0.796 30 20 DBED C#CCCN1C[C@@H](NC(=O)c2ccn3nnnc3c2)[C@H](OC)C1 1082018636 LZSYFCOEYKEJRF-CHWSQXEVSA-N 314.349 -0.423 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H]2CN(CCn3cccn3)C[C@@H]21 1083024121 BLZLGUMEFSCBOD-HZSPNIEDSA-N 303.366 -0.046 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)[C@@]2(C)CCNC(=O)C2)C1 1083564752 MCZUNVIGHUSSDG-SUNKGSAMSA-N 315.801 -0.184 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2cn(C)nc2[C@@H]2CCOC2)C1 1083674948 CYALZUCCPOXZCQ-BNOWGMLFSA-N 318.377 -0.668 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@H]2CC(=O)Nc3ccccc32)C1 1083684196 JVSBXNFUABKJHF-CFVMTHIKSA-N 313.357 -0.093 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCc3n[nH]cc3C2)C1 1083948596 AJEHSIYJJCIMJW-DFBGVHRSSA-N 302.378 -0.301 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCc3c[nH]nc3C2)C1 1084078357 VZYXMAXPYCZDIU-DFBGVHRSSA-N 302.378 -0.301 30 20 DBED CCO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1CNCc1nnn(C)n1 1087035940 RWCVMNFGPILFTJ-QJPTWQEYSA-N 321.385 -0.677 30 20 DBED C#CCCN1CC[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)[C@H]1CC 1087833089 KHBYWPDRISNZGA-YNEHKIRRSA-N 313.423 -0.330 30 20 DBED C#CCCN1CC[C@@H]2CN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C[C@@H]2C1 1088122861 UMFVPWBOLXHLAF-AGIUHOORSA-N 318.377 -0.612 30 20 DBED Cc1nn(CC(=O)N2CCCCC[C@@H](NCC#N)C2)c(=O)n1C 1088419927 CIVRNOMEIJSMTP-CYBMUJFWSA-N 320.397 -0.225 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2ccn(CCOC)n2)[C@@H](O)C1 1090419594 BAKATRHYGGCMLD-OCCSQVGLSA-N 306.366 -0.672 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1O 1090490048 KBHJIQTWXVZDEF-NILFDRSVSA-N 314.345 -0.343 30 20 DBED C=CCOCC(=O)N1C[C@@H](Nc2ccc3nnnn3n2)[C@H](C)C1 1090956468 VKCFSHHPKBCWGE-GHMZBOCLSA-N 317.353 -0.019 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(c2nc(CC)ns2)C[C@@H]1O 1091149606 ABWCNYRWWDJQCV-MNOVXSKESA-N 324.406 -0.194 30 20 DBED CC(=O)N(C)CC(=O)N[C@H]1[C@@H]2CN(c3nccnc3C#N)C[C@@H]21 1093217198 HPKOTMRWWKNBKG-YABSGUDNSA-N 314.349 -0.623 30 20 DBED C#CCNC(=O)CC(=O)NCCNc1ncnc2c1CCC2 1093558422 UKHKUTQIVFWRII-UHFFFAOYSA-N 301.350 -0.367 30 20 DBED CCc1nc(C#N)cc(NCCNC(=O)[C@H]2CC(=O)N(C)C2)n1 1094190453 JUFSLKVSMSPMRV-JTQLQIEISA-N 316.365 -0.083 30 20 DBED C#CCN1CC(n2cc(CNC(=O)c3snnc3C)nn2)C1 1094274250 JTUIWLGIGAGUKM-UHFFFAOYSA-N 317.378 -0.142 30 20 DBED Cc1cc(=NCCCNC(=O)[C@@H]2CCC(=O)N2)c(C#N)c[nH]1 1094508014 NTCVVORDTIOPCB-LBPRGKRZSA-N 301.350 -0.120 30 20 DBED COCCCOCC(=O)NCCCN=c1cc[nH]c(C#N)n1 1094569680 WGRDMOHJFILESV-UHFFFAOYSA-N 307.354 -0.259 30 20 DBED C[C@]1(C(=O)NCCCNc2cncc(C#N)n2)CNC(=O)C1 1094670146 AYBRFKZCHLVLOX-CQSZACIVSA-N 302.338 -0.207 30 20 DBED CC#CCN1CC(N2C[C@H](NC(=O)Cn3cccn3)CC2=O)C1 1094706289 YSCKKQHXBRXLLX-CYBMUJFWSA-N 315.377 -0.692 30 20 DBED Cc1cc(=NCCCNC(=O)[C@H]2CCNC2=O)c(C#N)c[nH]1 1094706986 MTOQGBGCEHPFOM-GFCCVEGCSA-N 301.350 -0.262 30 20 DBED CC#CCN1CC(N2C[C@@H](NC(=O)c3ncc[nH]3)CC2=O)C1 1094734020 PXOBBTUDSURVMA-NSHDSACASA-N 301.350 -0.552 30 20 DBED CN(CCCNC(=O)CS(C)(=O)=O)c1ncccc1C#N 1095505124 YAEBBSKMZYKOSX-UHFFFAOYSA-N 310.379 -0.060 30 20 DBED CN(CCCNC(=O)c1cn(C)nn1)c1cncc(C#N)n1 1095539464 SDZYCALEFACRRL-UHFFFAOYSA-N 300.326 -0.267 30 20 DBED COC(=O)NCC(=O)N[C@H]1CCN(c2ccnc(C#N)n2)C1 1096316174 ATTPQDTVYSJRIO-VIFPVBQESA-N 304.310 -0.601 30 20 DBED C[C@@H](C(=O)N[C@@H]1CCN(c2ccnc(C#N)n2)C1)S(C)(=O)=O 1096502055 JQVYLMLKOPAODZ-VHSXEESVSA-N 323.378 -0.524 30 20 DBED C#CCCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1CCOCC1=O 1097232386 QAEDSKXPXLCAEZ-MCIONIFRSA-N 305.378 -0.410 30 20 DBED C[C@@H](CNC(=O)c1cn(C)c(=O)cn1)Nc1ccc(C#N)nn1 1098429354 LXEPEVRFBLSKKC-VIFPVBQESA-N 313.321 -0.328 30 20 DBED CC(C)[C@@H](O)C(=O)N1CC[C@@H](n2cc(CNCC#N)nn2)C1 1098666885 JWFMQNOHTIRXRZ-CHWSQXEVSA-N 306.370 -0.318 30 20 DBED O=C(C#CC1CC1)N[C@H]1CCN(CC(=O)N2CCC2)C[C@@H]1O 1099812194 CCTYFVSMBNWMSS-KBPBESRZSA-N 305.378 -0.817 30 20 DBED C=CCCN1CC[C@@H](NC(=O)CS(=O)(=O)CCC)[C@@H](O)C1 1100113563 BWZBOLHYMQRWMM-OLZOCXBDSA-N 318.439 -0.061 30 20 DBED C#CCN1CC[C@H](NC(=O)CNC(=O)C(CC)CC)[C@H](O)C1 1100148789 UMFZAWLEIZSJCG-UONOGXRCSA-N 309.410 -0.277 30 20 DBED CN(CCNC(=O)[C@H]1CC[C@H]1C(N)=O)c1cnc(C#N)cn1 1100269094 OPPQUHWENUPXHC-MNOVXSKESA-N 302.338 -0.588 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1CC(NCCS(C)(=O)=O)C1 1100285646 OZBLUGLEMIZSKW-ORHYLEIMSA-N 318.439 -0.158 30 20 DBED CCN(CCNC(=O)[C@H]1CCCNC1=O)c1ccc(C#N)nn1 1100640500 YWQVEAKCABOEGO-LBPRGKRZSA-N 316.365 -0.183 30 20 DBED CN(CCNc1cncc(C#N)n1)C(=O)Cn1cnnc1O 1101553320 OVFZQMSJNSQELU-UHFFFAOYSA-N 302.298 -0.784 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](C)[C@H](CNC(=O)c2cn[nH]c2)C1 1101758421 PTBDXDWPWXTBJP-MBNYWOFBSA-N 317.393 -0.155 30 20 DBED CC#CCN1C[C@@H](C)[C@H](CNC(=O)Cn2c(O)nnc2O)C1 1102530301 LSSBUGCCVOVUST-GHMZBOCLSA-N 307.354 -0.603 30 20 DBED CC[C@@H](CNC(=O)C1CS(=O)(=O)C1)N=c1cc[nH]cc1C#N 1103200235 SGVXTWXYLSSYRW-LBPRGKRZSA-N 322.390 -0.274 30 20 DBED CC[C@@H](CNC(=O)[C@H]1CNC(=O)N1)Nc1ccc(C#N)cn1 1103277558 KSXXLAXADVGFJZ-WDEREUQCSA-N 302.338 -0.059 30 20 DBED C#CCNC(=O)CC(=O)N(C)[C@@H](C)CNc1ccc(C#N)nn1 1104531062 SRHMYCNYDFMROU-NSHDSACASA-N 314.349 -0.253 30 20 DBED CN(CCN(C)c1cnc(C#N)cn1)C(=O)[C@]1(C)CNC(=O)C1 1105510728 OPDJPPFNMNOGBQ-HNNXBMFYSA-N 316.365 -0.231 30 20 DBED C[C@](O)(CC(=O)NC[C@H](O)CN=c1cc[nH]cc1C#N)C1CC1 1105827185 OKZPQHJWAHCPSB-CJNGLKHVSA-N 318.377 -0.185 30 20 DBED Cc1nonc1CC(=O)NC[C@@H](O)CNc1cncc(C#N)n1 1105948187 VVLCGACARUAAML-JTQLQIEISA-N 317.309 -0.829 30 20 DBED CNS(=O)(=O)CCC(=O)N1C[C@@H](C)[C@H](CNCC#N)C1 1106116661 JZRDEILYSRRQNU-GHMZBOCLSA-N 302.400 -0.867 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)CCc2cnn[nH]2)nc1 1106124031 VWPAHBJSEAPZGR-GFCCVEGCSA-N 315.337 -0.407 30 20 DBED Cc1cc(=NC[C@H](O)CNC(=O)[C@@]23COC[C@@H]2C3)c(C#N)c[nH]1 1106146175 YEOXEOQBULKXEM-XEZPLFJOSA-N 316.361 -0.391 30 20 DBED CN(CC(=O)NC[C@@H](O)CNc1cncc(C#N)n1)C1CCC1 1106154449 IGBBJZDDKLQNFO-ZDUSSCGKSA-N 318.381 -0.278 30 20 DBED C[C@@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)CCn1cncn1 1106230416 LHJTZKKMCASAKF-NSHDSACASA-N 314.353 -0.241 30 20 DBED CCN(CCN=c1cc[nH]cc1C#N)C(=O)[C@H]1CN(C)CCO1 1106709721 BRDRLRXWPZRNGD-OAHLLOKOSA-N 317.393 -0.034 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)c1cnn(CC)n1 1106743527 RRCHPBVMGSWWPL-UHFFFAOYSA-N 314.353 -0.044 30 20 DBED C=CCN1CC(n2cc(CNC(=O)C[C@@H]3COC(=O)C3)nn2)C1 1107157283 MSKGOJHEXCOMMT-NSHDSACASA-N 319.365 -0.110 30 20 DBED C=CCCN1CC(n2cc(CNC(=O)[C@@H](COC)OC)nn2)C1 1107207839 GOVWGPNJRQMWMS-CQSZACIVSA-N 323.397 -0.012 30 20 DBED C[C@@]1(C(=O)NC/C=C\CNc2cnc(C#N)cn2)CCNC1=O 1107508966 TWTPIPGDTYSNJY-GWQWAINWSA-N 314.349 -0.041 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)c2cnc3[nH]nnc3c2)C1 1107996773 INKCSCTZVUAUBA-OAHLLOKOSA-N 314.349 -0.193 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)CC(=O)NCC2CC2)C1 1108332672 DULNFAPBVGNUOG-INIZCTEOSA-N 307.394 -0.257 30 20 DBED COCC(=O)N(C)CC(=O)N1C[C@H]2C[C@@H](NCC#N)C[C@H]1C2 1108699599 HBXRXBPMJVLRSG-YNEHKIRRSA-N 308.382 -0.416 30 20 DBED N#Cc1cncc(NC2(CNC(=O)CCn3cnnn3)CC2)n1 1110207139 QTEQISHYXWCNAS-UHFFFAOYSA-N 313.325 -0.514 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cn1ncnn1 1110566696 GDUUHMOCXUSZJC-UPJWGTAASA-N 304.354 -0.956 30 20 DBED CO[C@H](C)C(=O)N(C)[C@H]1CN(c2ccc(C#N)cn2)C[C@@H]1O 1111170880 HOIZGUATUMCPOU-WXHSDQCUSA-N 304.350 -0.004 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(c2ccc(C#N)nn2)C[C@H]1O 1112721262 XIHJESHVQMYUDV-GXTWGEPZSA-N 313.361 -0.079 30 20 DBED CN(CC(C)(C)CNc1cnc(C#N)cn1)C(=O)CNC(N)=O 1113397463 ZVKGINJIJBXGEH-UHFFFAOYSA-N 319.369 -0.087 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)CCCCC(N)=O)CC1 1113518821 YZQUNSDPTNJNCP-CYBMUJFWSA-N 322.409 -0.686 30 20 DBED Cc1n[nH]c(C)c1CC(=O)N1CCN(CC(=O)NCC#N)CC1 1113623502 LPAILMRZTVXYPA-UHFFFAOYSA-N 318.381 -0.647 30 20 DBED C#CCCCCC(=O)NC1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]12 1114159910 NUIFWFJWPWTDFJ-CHWSQXEVSA-N 302.378 -0.134 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)c3c[nH]c(C#N)c3)[C@H]2C1 1114163644 LCTCSGKPJAMJEG-STQMWFEESA-N 313.361 -0.151 30 20 DBED C#CCO[C@H](C)C(=O)NC1[C@@H]2CN(CC(=O)NC(C)C)C[C@@H]12 1114271638 YPUAQDDWZATZEE-JHJVBQTASA-N 307.394 -0.404 30 20 DBED C[C@H](CN(C)C(=O)[C@H]1COC(=O)N1)Nc1nccnc1C#N 1115703260 VSUPWQQYKBWPRV-PSASIEDQSA-N 304.310 -0.285 30 20 DBED N#CCNC(=O)CNC1(CNC(=O)c2cnon2)CCCCC1 1115781904 WHCWXHRYHZOEJK-UHFFFAOYSA-N 320.353 -0.268 30 20 DBED C[C@@H](CN(C)C(=O)CCn1cnnn1)Nc1nccnc1C#N 1115808523 HJJRWWHJABIXKV-JTQLQIEISA-N 315.341 -0.316 30 20 DBED C[C@H](CO[C@@H]1CCOC1)NC(=O)C(=O)N1CCO[C@@H](C#N)C1 1117489751 ZFMXJLBUZRRMSQ-UTUOFQBUSA-N 311.338 -0.952 30 20 DBED C#CCOCCNC(=O)C(=O)Nc1nc2c(s1)COCC2 1117991093 KFBZKNDGOSRITP-UHFFFAOYSA-N 309.347 -0.080 30 20 DBED Cc1cc(C(=O)NC[C@@H](CO)Nc2ccc(C#N)nn2)on1 1121061710 MQHXAVSBGSVHQW-JTQLQIEISA-N 302.294 -0.153 30 20 DBED CCc1cc(C(=O)NC[C@H](CO)Nc2cncc(C#N)n2)n[nH]1 1121137127 UPRMDRZAOMCBKN-LLVKDONJSA-N 315.337 -0.163 30 20 DBED CN1CCC[C@@H]1C(=O)NC[C@@H](CO)N=c1cc[nH]cc1C#N 1121239953 FSKSECVKVFXTQC-GXTWGEPZSA-N 303.366 -0.642 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)CC2OCCCO2)cn1 1121360384 UIZMDPRPUQDGEX-CYBMUJFWSA-N 320.349 -0.005 30 20 DBED N#Cc1cnc(N[C@@H](CO)CNC(=O)c2ccc(O)nc2)cn1 1121550542 UFKCNDNXHLRCQD-LLVKDONJSA-N 314.305 -0.348 30 20 DBED COCC1(C(=O)NC[C@@H](CO)Nc2nc(C)cc(C#N)n2)CC1 1122246622 SJSXKXPHHAXHCT-LBPRGKRZSA-N 319.365 -0.028 30 20 DBED N#Cc1nc(=N[C@H](CO)CNC(=O)C2(CCF)CC2)cc[nH]1 1122275076 VWNSAUVHVBQVKL-JTQLQIEISA-N 307.329 -0.201 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H](CO)Nc1cnc(F)cn1 1122770438 RWXDZHXYHIDKSZ-NEPJUHHUSA-N 321.356 -0.398 30 20 DBED CO[C@H](C)C(=O)N(C)C[C@@H](O)CN=c1cc(C)[nH]cc1C#N 1124123909 KYQFYKOPECWXIE-YPMHNXCESA-N 306.366 -0.050 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)[C@H]1C[C@H]1OCC 1124141525 VTJJNWWWJLNVJP-WDEREUQCSA-N 312.370 -0.871 30 20 DBED CN(C[C@@H](O)CNc1cncc(C#N)n1)C(=O)c1cn(C)cn1 1124246544 RZXILCISVIUFHJ-NSHDSACASA-N 315.337 -0.373 30 20 DBED CNC(=O)CC(=O)N(C)C[C@@H](O)CNc1ncc(C#N)cc1F 1124257044 PEXFDXUFKKEDSM-JTQLQIEISA-N 323.328 -0.540 30 20 DBED C#CCNC(=O)CC(=O)N(C)C[C@@H](O)CNc1ccnc(C)n1 1124315616 YRCYRIKLXPCETH-LBPRGKRZSA-N 319.365 -0.844 30 20 DBED C=CCOCC(=O)NCCNCC1CCS(=O)(=O)CC1 1124767417 FYAUQDBVQIOTAN-UHFFFAOYSA-N 304.412 -0.280 30 20 DBED CN(C[C@@H](O)CN(C)c1nccnc1C#N)C(=O)c1cnon1 1125139132 FHADNYPYMJKSHZ-VIFPVBQESA-N 317.309 -0.699 30 20 DBED N#Cc1cncc(N2CC=C(CNC(=O)Cn3nccn3)CC2)n1 1127700442 ZHGGYWGKAVOTDA-UHFFFAOYSA-N 324.348 -0.107 30 20 DBED C=C(C)CN1C[C@H](n2ccnn2)[C@H](NC(=O)CC(=O)N(C)C)C1 1129312653 KJDLEDHACKHMKV-OLZOCXBDSA-N 320.397 -0.326 30 20 DBED N#Cc1cccc(CNCCNC(=O)C[C@@H]2NC(=O)NC2=O)c1 1129743312 LJQMAFLEDUDULG-LBPRGKRZSA-N 315.333 -0.638 30 20 DBED C=CCCN[C@@H]1CN(C(=O)Cn2nccn2)C[C@@H]1n1ccnn1 1129874732 NXTHYNATONQUPJ-OLZOCXBDSA-N 316.369 -0.513 30 20 DBED C=CCCN1C[C@@H](OC)C[C@H]1c1n[nH]c(CNC(=O)C(N)=O)n1 1130264916 STIZVSVYVYHVPU-UWVGGRQHSA-N 322.369 -0.756 30 20 DBED CC(F)(F)C(=O)NCc1nc([C@@H]2COCCN2CC#N)n[nH]1 1130831849 PPJYPBIBCLEVTC-QMMMGPOBSA-N 314.296 -0.027 30 20 DBED C#CCN1CCOC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](C)OCC)n1 1130832461 XEHWVKVJYMVRHT-VXGBXAGGSA-N 321.381 -0.148 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1c(C)cc(=O)oc1C 1131077161 IGBOLVJLACSDIP-UHFFFAOYSA-N 307.350 -0.122 30 20 DBED C=CCN[C@@H]1CN(C(=O)CC(=O)N(C)C)C[C@H]1c1cncn1C 1131084566 ZGRAQFPRMPKKJO-CHWSQXEVSA-N 319.409 -0.032 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)[C@H]1C[C@H](C)CO1 1131536995 SPMNAODCXAUYIL-QWHCGFSZSA-N 310.398 -0.121 30 20 DBED CNC(=O)NCC(=O)N1C[C@@H](C)O[C@@]2(CCN(CC#N)C2)C1 1131666469 PHDSWEOLYPHYMD-BXUZGUMPSA-N 309.370 -0.869 30 20 DBED Cc1nnc(CC(=O)N[C@H](C)C[C@H](C)NCC(=O)NCC#N)o1 1134269072 CYFSBRSRNQVIQY-VHSXEESVSA-N 322.369 -0.567 30 20 DBED CC#CCN[C@@H](C)C[C@@H](C)NC(=O)CCS(=O)(=O)NC 1134351120 CCPLHXHZHDQAFK-NWDGAFQWSA-N 303.428 -0.178 30 20 DBED CC#CCN[C@@H](C)C[C@H](C)NC(=O)CN(C)S(C)(=O)=O 1134509097 MSHGZMUXRWPBFT-RYUDHWBXSA-N 303.428 -0.226 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)c1[nH]cnc1C 1146815069 TWKWYGARIMOURR-QWRGUYRKSA-N 305.382 -0.046 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)CCC(=O)NCCC 1148223883 ZSTNREPFGPXDLM-GFCCVEGCSA-N 312.414 -0.311 30 20 DBED C#CCOCCC(=O)NC[C@H]1CN([C@H]2CCNC2=O)CCCO1 1149721262 LETMKBGSKKQEGH-KBPBESRZSA-N 323.393 -0.878 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)c1ccnc(C)n1 1151306283 DOKBEUBFUPXWNJ-UHFFFAOYSA-N 320.353 -0.884 30 20 DBED COCC#CCNCCCNC(=O)[C@H]1CC(=O)N(C(C)C)C1 1159230147 KIAJTGDKJRAQMB-AWEZNQCLSA-N 309.410 -0.011 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1snnc1C1CC1 1160384456 MSYBPUUJYCRXLS-UHFFFAOYSA-N 321.406 -0.126 30 20 DBED Cc1c[nH]nc1C(=O)NCCC1(CNCC(=O)NCC#N)CC1 1164471688 NSZOQMSNGLBURZ-UHFFFAOYSA-N 318.381 -0.152 30 20 DBED C#CCO[C@@H](C)C(=O)NCCC1(CNCC(=O)N(C)C)CC1 1164504596 DVRACAHVYUMVGL-ZDUSSCGKSA-N 309.410 -0.011 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1occc1CN(C)C 1165245683 BIFKFVVCSDRDMN-UHFFFAOYSA-N 320.393 -0.200 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@@H]1CCC[C@@H](C(N)=O)C1 1167504789 PKOUGXKYUGCLFM-CHWSQXEVSA-N 324.425 -0.324 30 20 DBED C[C@@H]1CN(C(=O)c2cc[nH]n2)CC[C@@H]1CNCC(=O)NCC#N 1183895876 BDLYKJKPOUUTDR-VXGBXAGGSA-N 318.381 -0.263 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2ccc(OC)nc2)C1 1184085606 IINBUYMFJDAXFM-CYBMUJFWSA-N 316.361 -0.356 30 20 DBED CC#CCNC[C@H]1CCN(C(=O)Cn2c(O)nnc2O)C[C@H]1C 1185572966 LGRMUSULPVJUJT-VXGBXAGGSA-N 321.381 -0.213 30 20 DBED C[C@@H]1CN(C(=O)CN2C(=O)CCC2=O)CC[C@H]1CNCC#N 1185643390 WUPDFDYFDZFIDP-NEPJUHHUSA-N 306.366 -0.267 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)Cc2cnc[nH]2)C1 1185925844 OMSOJGZUHKLXIG-VXGBXAGGSA-N 303.366 -0.719 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)c2ccnc(F)c2)C1 1191507934 NFTDYHUMYVPADQ-CHWSQXEVSA-N 307.325 -0.355 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2cc(C)ncn2)C[C@H]1O 1192892205 VFLMEGIPGNAXBU-BPLDGKMQSA-N 318.377 -0.515 30 20 DBED C[C@H](C#N)C(=O)N1CCCN(CC(=O)NC[C@H]2CCOC2)CC1 1195321815 PUGNJQNAYHJSMZ-ZIAGYGMSSA-N 322.409 -0.167 30 20 DBED CC1(C)CCC[C@@H]1C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1O 1195366838 QIJGPGKBXOTAPO-JHJVBQTASA-N 322.409 -0.386 30 20 DBED CC#CCNC1CCN(C(=O)CCn2ncn(C)c2=O)CC1 1201775607 WRKQGMZEFUCVFA-UHFFFAOYSA-N 305.382 -0.424 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)CN(C)C(C)=O)C1 1207440786 JNHCCYNCRANYSF-TZMCWYRMSA-N 322.409 -0.817 30 20 DBED CC(C)[C@@H](C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C)N(C)C 1207641511 QLUXAWSNBUFRMR-NFAWXSAZSA-N 323.441 -0.351 30 20 DBED COCC#CCN[C@H]1CCCN(C(=O)C2CS(=O)(=O)C2)C1 1208180942 VNFZKQULNBVJJN-ZDUSSCGKSA-N 314.407 -0.739 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@H]2CCN(C)C2=O)C1 1209122929 VYWWKWSCJDZTFR-OLZOCXBDSA-N 322.409 -0.653 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(Cc2cnn(C)n2)C[C@H]1OC 1212194062 NRXOFOZDGPNLGP-UMVBOHGHSA-N 323.397 -0.542 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)C2=COCCO2)C[C@H]1C 1214082692 FDLQFGFIVQDVGZ-JHJVBQTASA-N 321.377 -0.551 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C 1214176665 GZSCVPVECLHPPX-FRRDWIJNSA-N 322.434 -0.182 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)C[C@@H]2COC(=O)C2)C[C@H]1C 1214441256 HEPAHDUDSZNUEJ-FRRDWIJNSA-N 323.393 -0.322 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](N[C@@H](C)C(=O)N(C)C)[C@H](C)C1 1214474119 ZYFYPICPEYHUAC-FRRDWIJNSA-N 322.409 -0.961 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)Cc2ccnn2C)C[C@H]1C 1214517499 DYGRYPIPNCKXRW-TZMCWYRMSA-N 317.393 -0.852 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)c2cc(=O)n(C)cn2)C[C@H]1C 1214885150 YYKXIEAZXCRGCG-TZMCWYRMSA-N 318.377 -0.520 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CC(=O)N(C)C)C[C@H]1C 1215836476 VPKSCFSYSCQBQS-JHJVBQTASA-N 324.425 -0.408 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CN(Cc2nc(C3CC3)n[nH]2)C[C@@H]1O 1219378947 JPFQVLPHEBHJHD-IEBDPFPHSA-N 304.354 -0.497 30 20 DBED CC(C)NC(=O)CN1C[C@H](O)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 1219469363 MANIJJBKKYBJDK-OLZOCXBDSA-N 319.365 -0.814 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CN(CCO[C@H]2CC2(F)F)C[C@@H]1O 1219593579 YVRSYQDCNZMYJE-AGIUHOORSA-N 314.332 -0.015 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2cnc(C)nc2)C[C@@H]1O 1219605306 OLUYPGZQHBFGIV-DFBGVHRSSA-N 318.377 -0.515 30 20 DBED CC(C)(C)C(=O)NCCCC(=O)N[C@@H]1CN(CC#N)C[C@@H]1O 1220112758 ZVFFQVLSPQLRAT-NEPJUHHUSA-N 310.398 -0.386 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)[C@H](C)CS(C)(=O)=O)C1 1221099591 SAZOQTVQPSRXKJ-IEBDPFPHSA-N 324.830 -0.419 30 20 DBED Cc1ncc(C(=O)N2C[C@H]3CCN(CC(=O)NCC#N)C[C@H]32)[nH]1 1221436005 GYDWLEYHIQELFG-DGCLKSJQSA-N 316.365 -0.496 30 20 DBED C#CCOCCC(=O)N1C[C@H]2CCN(Cc3nnnn3C)C[C@H]21 1221545049 UMVPJLCQFNJBIW-CHWSQXEVSA-N 318.381 -0.717 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@@H]2CN(C(=O)c3cnon3)[C@@H]2C1 1221883152 RSZKYTOUHQFHMG-NQBHXWOUSA-N 317.349 -0.646 30 20 DBED CCCNC(=O)NC(=O)CN1CCC(NC(=O)[C@@H](C)C#N)CC1 1226625501 KYGLGHZSCVJOLM-NSHDSACASA-N 323.397 -0.038 30 20 DBED CCn1nncc1C(=O)NC1CCN(CC(=O)NCC#N)CC1 1227232645 HMKUJGIOUOCIKF-UHFFFAOYSA-N 319.369 -0.868 30 20 DBED CC(C)(O)CC(=O)NCC[C@H]1CN(CC#N)CCS1(=O)=O 1230455162 NWHZQNLTHHNLRD-NSHDSACASA-N 317.411 -0.724 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)Cc1cc(C)[nH]n1 1233673553 FYZZVOQILGIMSZ-CQSZACIVSA-N 317.393 -0.457 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C[C@H]1CCN1CCn1cncn1 1234267381 YKMRONJIKLEQPN-UONOGXRCSA-N 305.382 -0.151 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)NCC(=O)N(CC)CC 1261944795 FLLZGCBMRHAHND-GFCCVEGCSA-N 311.382 -0.484 30 20 DBED N#CCOc1cccc(NC(=O)C(=O)N[C@@H]2CNC(=O)C2)c1 1320579729 JCYKVTSEHWUXHZ-JTQLQIEISA-N 302.290 -0.468 30 20 DBED CN(C[C@H]1CCC[C@@H]1O)C(=O)C(=O)NC1CCN(CC#N)CC1 1322621531 IPUOVPRFIHCGJW-OCCSQVGLSA-N 322.409 -0.290 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCc3c[nH]nc32)CCO1 1324667197 UKTVZAYKIHQZDT-GHMZBOCLSA-N 303.322 -0.346 30 20 DBED Cc1cc(NC(=O)C(=O)NC[C@@H](O)CN(C)C)ncc1C#N 1326744292 RGGZYYAFGMJAHF-LLVKDONJSA-N 305.338 -0.761 30 20 DBED CC(C)C#CC(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 1327784488 XQNHWZITMOQKAP-LLVKDONJSA-N 300.380 -0.545 30 20 DBED Cc1nnc(CNC(=O)C(=O)N2CCC[C@@H](CC#N)C2)n1C 1327937402 ORZXAHFZNHIZQG-NSHDSACASA-N 304.354 -0.108 30 20 DBED N#Cc1cccc(NC(=O)C(=O)N[C@@H]2CCCCNC2=O)n1 1328204573 GITSDTDRLMWJMD-SNVBAGLBSA-N 301.306 -0.323 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CCc3c[nH]nc3C2)nn1 1332057976 FQMQCZUARFXRQK-UHFFFAOYSA-N 315.337 -0.612 30 20 DBED N#Cc1ccc(CCNC(=O)C(=O)NCC(F)(F)CN)cc1 1333550115 VXFBQASJGYIUNK-UHFFFAOYSA-N 310.304 -0.073 30 20 DBED C#CCSCCn1nnnc1N1CCC(C(=O)NOC)CC1 1335466980 BKTDLSUZQOPDAT-UHFFFAOYSA-N 324.410 -0.067 30 20 DBED C=CCC1(O)CCN(c2nnnn2C[C@H]2COCCO2)CC1 1352247428 ATNNQZSIPINZKL-LBPRGKRZSA-N 309.370 -0.004 30 20 DBED CC1(C)CCCN1CCNC(=O)Cn1cc(C#N)c(O)nc1=O 1362551206 ZHQNJSDBFHPHQY-UHFFFAOYSA-N 319.365 -0.189 30 20 DBED C[C@H](C(=O)N1CCC[C@@H](NC(=O)N(C)C)C1)n1cnc(C#N)n1 1363024454 QUHWQUVPQJCPIL-GHMZBOCLSA-N 319.369 -0.027 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)NC[C@@H]2CCS(=O)(=O)C2)C1 1364212503 WHFQCIYBEUCFMO-CMPLNLGQSA-N 301.368 -0.519 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)C[C@@H]2CCCS(=O)(=O)C2)CCO1 1365036463 PMHFNKKKPLUXOB-GHMZBOCLSA-N 322.408 -0.635 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@H](NCC(=O)NC3CC3)C2)c1 1366382374 UCUJNUSITBTPJT-LBPRGKRZSA-N 301.350 -0.031 30 20 DBED CCC(=O)NC[C@@H]1CN(CC(=O)N(CC)CCC#N)CCO1 1374114016 HWFCQXBMMRDBKD-CYBMUJFWSA-N 310.398 -0.024 30 20 DBED COCCN(CCNC(=O)[C@H](C)C#N)C(=O)[C@@H]1CCC(=O)N1 1396172469 LOSZDSNCBQAUGN-MNOVXSKESA-N 310.354 -0.984 30 20 DBED C=C(Cl)CNC[C@H](O)CNC(=O)[C@H](NC(C)=O)C(C)C 1401591374 ZCAWADNNXAEELQ-NWDGAFQWSA-N 305.806 -0.034 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@](C)(NC(=O)CCn2cncn2)C1 1410980672 PSMNRNUDUZRLJE-SMDDNHRTSA-N 304.354 -0.065 30 20 DBED COC(=O)CCCN(C)C(=O)Cn1cc(C#N)c(O)nc1=O 1412435235 VQJILKMEOFBTNV-UHFFFAOYSA-N 308.294 -0.768 30 20 DBED C[C@H](C(=O)NC(C)(C)C)N(C)c1[nH]c(=O)n(C)c(=O)c1C#N 1413888739 YWVSKJXYYPVEOO-MRVPVSSYSA-N 307.354 -0.315 30 20 DBED C[C@H](CC(N)=O)C(=O)NC1CN(C(=O)c2cc(C#N)c[nH]2)C1 1416036143 GDQBEGXNOQLLCU-MRVPVSSYSA-N 303.322 -0.662 30 20 DBED COCC(=O)NC[C@H](O)CNCc1cc(C#N)ccc1OC 1420081128 JEEAGEODVLVBQB-CYBMUJFWSA-N 307.350 -0.220 30 20 DBED N#Cc1cccc(CNC[C@H](O)CNC(=O)[C@H]2COC(=O)N2)c1 1420111828 NCWGPXJJCIXOOS-QWHCGFSZSA-N 318.333 -0.767 30 20 DBED C[C@H](C#N)C(=O)NCCN(C)C(=O)CNC(=O)N1CCCC1 1429449168 AHBPRWAECJBBME-LLVKDONJSA-N 309.370 -0.474 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H]1CNC(=O)CS(C)(=O)=O 1429727720 MONLKTKMAZZXCQ-UWVGGRQHSA-N 301.368 -0.702 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(N(CCO)C(=O)[C@H]2CCOC2)CC1 1446192080 CPDGSEDBTYXEOC-STQMWFEESA-N 323.393 -0.006 30 20 DBED CCS(=O)(=O)CC(=O)NC[C@@H](NC(=O)[C@H](C)C#N)C1CC1 1447186878 VDABJCWRKBLFRS-MWLCHTKSSA-N 315.395 -0.408 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1 1454884284 OAETTWYLNUZEMU-UWVGGRQHSA-N 303.322 -0.492 30 20 DBED CN1CCO[C@H](C(=O)NCCN(C)C(=O)c2ccc(C#N)[nH]2)C1 1455205762 JHEYAUODYOBSGE-ZDUSSCGKSA-N 319.365 -0.595 30 20 DBED CCN(CCC#N)C(=O)CNC[C@H](C)NC(=O)[C@H]1CCC(=O)N1 1483214324 IRRQUKCRFITNRV-NWDGAFQWSA-N 323.397 -0.879 30 20 DBED C=C(Cl)CN(C)[C@H](C)CNC(=O)Cn1cnc(C(N)=O)n1 1485305191 ANCJBEGTVLTRNW-SECBINFHSA-N 314.777 -0.434 30 20 DBED CC[C@H](CNC(=O)CN1CCC(=O)NC1=O)NC(=O)[C@H](C)C#N 1499372296 OBXWFVZVKRXAMZ-NXEZZACHSA-N 323.353 -0.901 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H](C)S(C)(=O)=O)C1 1514879255 ZUESMUADHYCHDL-DBIOUOCHSA-N 315.395 -0.410 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCc2c(C)n[nH]c2C)C1=O 1528526076 ZCYRYAHAQUKMBX-UHFFFAOYSA-N 319.321 -0.380 30 20 DBED C#C[C@H](CCC)NC(=O)Cn1cc(-c2nn[nH]n2)c(O)nc1=O 1573278987 AYTGQUIMONEXMU-MRVPVSSYSA-N 317.309 -0.953 30 20 DBED C[C@H](C#N)C(=O)N(C)CCNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 1573561401 KFQKLZXQIANYIF-MRVPVSSYSA-N 316.325 -0.457 30 20 DBED C#CCNC(=O)CN1CCN(Cc2ccc(C(=O)O)cn2)CC1 1588483951 NEYZCWBXPFXXRA-UHFFFAOYSA-N 316.361 -0.353 30 20 DBED N#CCNC[C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCO1 1592678888 WDFFOHVJUKGXGH-SNVBAGLBSA-N 316.325 -0.851 30 20 DBED C[C@@](Cn1cccn1)(NCC(=O)NC1(C#N)CCC1)C(=O)O 1592923176 ILZXHOZSSOPSAL-ZDUSSCGKSA-N 305.338 -0.122 30 20 DBED O=S(=O)(NCC#CCO)c1ccc(-c2nn[nH]n2)c(F)c1 1593436552 XKVOKZPPZFTGFM-UHFFFAOYSA-N 311.298 -0.720 30 20 DBED N#Cc1ccc(S(=O)(=O)NC[C@@H]2COCO2)c(C(=O)O)c1 1601111913 PGDMZPFEEOHPAA-SECBINFHSA-N 312.303 -0.092 30 20 DBED C=C(C)C[C@@H](NS(=O)(=O)N=[S@@](C)(=O)N(C)C)C(=O)O 1602757705 TZVZSCFSHXSVGR-NTCNTBNZSA-N 313.401 -0.185 30 20 DBED C[C@@H]1CN(c2cnc(C#N)c(-c3nn[nH]n3)n2)CC[S@](=O)C1 1603940632 JBBNWZNIHJSWPA-PJLCYMMNSA-N 318.366 -0.267 30 20 DBED C[C@@]1(C(=O)O)CCCN(S(=O)(=O)N2CCO[C@H](C#N)C2)C1 1604496940 YPCQCKONHPBEHG-ZYHUDNBSSA-N 317.367 -0.358 30 20 DBED Cc1ncc(S(=O)(=O)NC(C)(C)[C@@H](O)C(=O)O)cc1C#N 1610566003 ZCSPJRKAXZTOBS-JTQLQIEISA-N 313.335 -0.236 30 20 DBED N#Cc1ccc(NCC(=O)N2C[C@@H](O)C[C@H](C(=O)O)C2)nc1 1610629308 QKAWQEQSUXJWTP-QWRGUYRKSA-N 304.306 -0.341 30 20 DBED COC(=O)c1c(S(=O)(=O)N2CCO[C@@H](C#N)C2)n[nH]c1C 1647086215 SBAJNOVYHWUFPM-QMMMGPOBSA-N 314.323 -0.582 30 20 DBED CNC(=O)[C@H](C)N1CCN(CCCNC(=O)C#CC(C)C)CC1 1752342855 FQYBQQQXLSYRCU-HNNXBMFYSA-N 322.453 -0.096 30 20 DBED Cc1cc(C)n(CC(=O)NCCN2CCN(CC#N)CC2)n1 1752368164 ZJJYASDEIUGLGZ-UHFFFAOYSA-N 304.398 -0.243 30 20 DBED COCC#CCN[C@H](C)CNC(=O)Cn1c(C)cc(C)nc1=O 1752908259 BRKJFXYHUHNENT-CYBMUJFWSA-N 320.393 -0.396 30 20 DBED C[C@@H](OCC1CC1)C(=O)NC[C@H]1CCN(CC(=O)NCC#N)C1 1753122815 NELJIIDVCKFJSK-TZMCWYRMSA-N 322.409 -0.121 30 20 DBED C#CCNC(=O)CN(CCNC(=O)C[C@@H]1CCCO1)C1CC1 1753151401 YHXPJPPGBGZVIX-AWEZNQCLSA-N 307.394 -0.115 30 20 DBED Cc1cncn1CC(=O)N(C)CCN1CCN(CC#N)CC1 1753341847 DVSXSHGADSKUOQ-UHFFFAOYSA-N 304.398 -0.209 30 20 DBED CCS(=O)(=O)NCCN1CC(NC(=O)C#CC(C)(C)C)C1 1753377834 NIQUFEBBGLOFFU-UHFFFAOYSA-N 315.439 -0.224 30 20 DBED C=CCN1CC[C@H](N[C@@H](CC)CNC(=O)c2[nH]nnc2C)C1=O 1753480859 DWGCXXMKWQOSDC-RYUDHWBXSA-N 320.397 -0.002 30 20 DBED C=CCN1CC[C@@H](NC[C@@H](C)NC(=O)CCc2nc[nH]n2)C1=O 1754221761 OYQLZEOYJPYSNW-VXGBXAGGSA-N 320.397 -0.382 30 20 DBED C=CCNC(=O)CNC[C@@H](C)NC(=O)c1cncc(OC)n1 1754243821 XXBRKTCDXPFQAU-SNVBAGLBSA-N 307.354 -0.505 30 20 DBED C#CCNC1(CNC(=O)c2ccc(=O)n(CCOC)c2)CC1 1754518936 LUNJSCSPILHHJQ-UHFFFAOYSA-N 303.362 -0.020 30 20 DBED N#CCNC[C@H](NC(=O)C[C@@H]1CC(=O)NC1=O)C1CCCC1 1754656710 UUUMQXSKDAVMJK-NEPJUHHUSA-N 306.366 -0.173 30 20 DBED C#CCNC(=O)CN1CCOC[C@@H]1CNC(=O)C[C@@H]1CCCO1 1754964159 VXUHUCCCPCOSTJ-KBPBESRZSA-N 323.393 -0.878 30 20 DBED C#CCNCC1(O)CCN(C(=O)c2cnn3ccncc23)CC1 1755151031 OTCLQCCRPFJKEW-UHFFFAOYSA-N 313.361 -0.081 30 20 DBED C#CCNC(=O)CN(C)C[C@@H]1CCCN1C(=O)[C@@H](C)NC(C)=O 1755189098 GXLXQDIXXZALCF-OCCSQVGLSA-N 322.409 -0.817 30 20 DBED C=CCN1CC[C@@H](N[C@H](CO)CNC(=O)c2ccns2)C1=O 1755630734 QFDFQICLOLZZLD-WDEREUQCSA-N 324.406 -0.390 30 20 DBED CCc1c(C(=O)NC[C@H](CO)NCC#CCOC)ccn1C 1755638931 GKPRZGMCZHCABW-CYBMUJFWSA-N 307.394 -0.082 30 20 DBED CCCN(C)CC(=O)N[C@@H]1CCCN(CC(=O)NCC#N)[C@@H]1C 1755720882 KCFFUOFFGMMJOR-ZIAGYGMSSA-N 323.441 -0.063 30 20 DBED COCC#CCNC[C@H](O)CN(C)C(=O)c1c(C)ncnc1O 1755785814 PJHPQMOONMPCNU-LBPRGKRZSA-N 322.365 -0.837 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)[C@H](C)NC(=O)COC(C)C 1755956729 TVEQHWXGSTZJMU-NEPJUHHUSA-N 311.382 -0.440 30 20 DBED CC(C)C#CC(=O)N[C@@H](C)C1CN(C(=O)[C@@H]2CN(C)C(=O)N2)C1 1756151469 ZOIQVWDKOPOWEN-AAEUAGOBSA-N 320.393 -0.368 30 20 DBED C[C@H](C#N)C(=O)N(C)CCOCCNC(=O)C[C@@H]1CCC(=O)N1 1756377391 VHCQRCFRRCFRNC-NEPJUHHUSA-N 324.381 -0.594 30 20 DBED C#CCOCCC(=O)N[C@@H]1C[C@@H](C)N(C(=O)c2[nH]nnc2C)C1 1756598208 NNGHLARQQWLPPF-ZYHUDNBSSA-N 319.365 -0.128 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(C(=O)Cc2ncc[nH]2)C[C@H]1O 1756994000 YUHGZTJXVDCVOG-VXGBXAGGSA-N 304.350 -0.701 30 20 DBED C=CCC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)NC(C)=O)C2)C1 1783181731 NJTIZHGZXMCIFB-BLLLJJGKSA-N 323.393 -0.083 30 20 DBED CC[C@@H](C)[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC#N 1795078684 KZVYZHNBWLEREU-AMVBZWJASA-N 323.393 -0.103 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCSC(=N)N)C2 1800451959 QMHZXGYOUFPRED-DDFAGTSDSA-N 324.406 -0.774 30 20 DBED C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCn1ccnn1)C2 1801600475 VRABHNFLBDNNJW-CLLJXQQHSA-N 301.350 -0.060 30 20 DBED CC(C)(C#N)C(=O)N1CC2(CCCN2C(=O)CNC(=N)N)C1 1842882259 WZNYRHXRQZAZNS-UHFFFAOYSA-N 306.370 -0.777 30 20 DBED COc1ccc(C(=O)NCC(=O)/N=C2/N=C(O)CN2)cc1OC 50222757 JWZLLCODFMLGIZ-UHFFFAOYSA-N 320.305 -0.124 30 20 DBED CC[C@H](C)NC(=O)[C@@H](C)Nc1c(C#N)c(=O)n(C)c(=O)n1C 68321157 YPGLSHOYNJMBIG-DTWKUNHWSA-N 307.354 -0.329 30 20 DBED CC/N=C(/NC[C@@H]1CN2CCN1CC2)N(C)C[C@@H]1CCOC1 261607043 DRCJMORYXOPVJO-LSDHHAIUSA-N 309.458 -0.080 30 20 DBED C/N=C(/NCC(=O)N1CCCCC1)N1CCO[C@@H](COC)C1 261935933 MBVGCVOEMNQPCG-CYBMUJFWSA-N 312.414 -0.079 30 20 DBED C#CCOc1cccc(NC(=O)C(=O)N2CCN(C)C(=O)C2)c1 267504164 XBGLZZQBOOIOBV-UHFFFAOYSA-N 315.329 -0.062 30 20 DBED CNS(=O)(=O)c1cccc(S(=O)(=O)N(C)CC#N)c1 273481240 QKCCYBRVMNYNOQ-UHFFFAOYSA-N 303.365 -0.261 30 20 DBED COc1ccc(C#N)cc1NC(=O)C(=O)N1CC(CC(N)=O)C1 280555563 WJGGNLOLAOTENQ-UHFFFAOYSA-N 316.317 -0.161 30 20 DBED C#C[C@H](NC(=O)NCCNS(=O)(=O)NC(C)C)C(C)C 281465643 SZNWVRIHBCIEAG-NSHDSACASA-N 304.416 -0.224 30 20 DBED CN(C(=O)C(=O)N1CCc2ccc(C#N)cc21)[C@@H]1COC[C@H]1O 289286811 ZPWDTBPIYUJCGN-ZIAGYGMSSA-N 315.329 -0.335 30 20 DBED C#CCNC(=O)c1ccc(N2CCC(NCCO)CC2)nc1 290920146 IBVJNKNVFFQRPU-UHFFFAOYSA-N 302.378 -0.005 30 20 DBED N#C[C@@H]1CC[C@H](N[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)C1 328825364 IYVZXHBCMGZQDA-ZOBORPQBSA-N 313.423 -0.234 30 20 DBED C[C@@H](CN1CCN(C)CC1)NS(=O)(=O)CC1(C#N)CC1 329633958 SSTQLFVXHJSWEB-LBPRGKRZSA-N 300.428 -0.155 30 20 DBED C[C@@H]1CCN(/C(O)=N/[C@H]2CC(=O)N(C)C2)CCS1(=O)=O 330265978 ZZBALUYPXAHESF-ZJUUUORDSA-N 303.384 -0.360 30 20 DBED CNC(=O)[C@@H]1CCC[C@@H]1N/C(O)=N/CCCS(C)(=O)=O 330569424 MCSXJJHUSMLZLJ-ZJUUUORDSA-N 305.400 -0.161 30 20 DBED CCOC(=O)CCN(C)S(=O)(=O)N1CCO[C@@H](C#N)C1 336918966 PQYGUNOMMGVSSH-JTQLQIEISA-N 305.356 -0.659 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[C@@H](S(N)(=O)=O)C1 336935068 FCPGIJIJMHNKRX-NXEZZACHSA-N 324.428 -0.924 30 20 DBED COC(=O)CSCCNS(=O)(=O)N(C)C[C@H](C)C#N 337103234 XUNLWTFBSGZXTR-SECBINFHSA-N 309.413 -0.182 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)NCCOC(F)(F)F)CCO1 337149034 HPTBSMJOXBGGHU-SSDOTTSWSA-N 303.262 -0.418 30 20 DBED CC(=O)NC[C@H]1CN(CC(=O)N(CCC#N)CCC#N)CCO1 344513446 ZFIUULFXQQRPKD-AWEZNQCLSA-N 321.381 -0.521 30 20 DBED COC(=O)[C@H]1CNC(=O)CN1C(=O)CNc1ccc(C#N)cc1 344907182 QBUWPUUWXRWRTC-GFCCVEGCSA-N 316.317 -0.530 30 20 DBED CCCN1C(=O)N(CCn2cnc(C#N)n2)C(=O)[C@@H]1COC 348651911 KEVQCRGBOUIKCD-JTQLQIEISA-N 306.326 -0.161 30 20 DBED N#CCCN(CCN1CCOCC1)C(=O)[C@H]1CC[C@H](C(N)=O)O1 354094293 URIFTZJFPMJPJF-CHWSQXEVSA-N 324.381 -0.906 30 20 DBED C=C[C@@H](CO)NC(=O)C(=O)Nc1ccccc1Cn1cncn1 354568508 PHCVLAPWGXKXDD-LBPRGKRZSA-N 315.333 -0.072 30 20 DBED CC(=O)N1C[C@@H](O)C[C@H]1C(=O)NCC(=O)c1ccc(C#N)cc1 356167568 RVSZHSNXZMZVBV-KBPBESRZSA-N 315.329 -0.161 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CCCCN1S(=O)(=O)N(C)C 356462866 VXUIDXBLMNMQID-GHMZBOCLSA-N 302.400 -0.077 30 20 DBED CCN1CCCN(S(=O)(=O)N(C)C[C@@H](C)C#N)CC1=O 369106021 DCDDCUMEBOKRSF-NSHDSACASA-N 302.400 -0.123 30 20 DBED CS(=O)(=O)N1CCC[C@@H](NC(=O)N2CCO[C@H](C#N)C2)C1 408096438 BVDGBBPVROMDRU-GHMZBOCLSA-N 316.383 -0.656 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@@H](N)CCCC#N)CC1 424134515 KRAHOGYVUVJBGZ-ZDUSSCGKSA-N 307.398 -0.546 30 20 DBED N#Cc1ccc(NC(=O)C(=O)N2C[C@@H](O)C[C@@H]2CO)c(F)c1 442286863 AGKDASURUVJXAF-ZJUUUORDSA-N 307.281 -0.410 30 20 DBED C=CCN(C)C(=O)C(=O)N1CCN([C@@H](CC)C(=O)OC)CC1 459898032 CKYKEVBSUCACPW-LBPRGKRZSA-N 311.382 -0.273 30 20 DBED C#CCN1CCN(C(=O)CN(C)CCN2CCOCC2)CC1 490778729 JYBAKKRKYSDCBG-UHFFFAOYSA-N 308.426 -0.972 30 20 DBED C#C[C@@H](C)N(C)CC(=O)c1c(O)nc(=O)n(CCOC)c1N 491327059 SMAQBDZKIPELJH-SECBINFHSA-N 308.338 -0.686 30 20 DBED CCOC(=O)N1CCN(C(=O)CN2CCOC[C@@H]2C#N)CC1 495901512 HQYRNZOWLYDUGP-LBPRGKRZSA-N 310.354 -0.489 30 20 DBED CCOC(=O)N1CCN(C(=O)CN(CC#N)CCOC)CC1 496546700 DCUKROORTUABPN-UHFFFAOYSA-N 312.370 -0.241 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H]1CCCN(CCCO)C1 594777158 LYTYTXYMTIBFEP-CHWSQXEVSA-N 318.443 -0.241 30 20 DBED COCC[C@@H](C)CNC(=O)C(=O)N1CCN(CCC#N)CC1 602276456 CXZDFOYTJVYFAO-CYBMUJFWSA-N 310.398 -0.167 30 20 DBED CCOC[C@@H](C(=O)OC)N(C)S(=O)(=O)N(C)CCC#N 610931615 OTZFSAVIMIZSMB-JTQLQIEISA-N 307.372 -0.413 30 20 DBED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2C[C@@H]3CNC[C@@H]3C2)CC1 611371254 SEXLUDFPNMIUGI-OWCLPIDISA-N 319.453 -0.170 30 20 DBED C=CCCn1cc(C(=O)N[C@H]2CS(=O)(=O)C[C@H]2OC)nn1 617868045 BJRWOLCZFKSHME-WDEREUQCSA-N 314.367 -0.604 30 20 DBED CS(=O)(=O)NCCNC(=S)NNc1cccc(C#N)c1 727077950 LPVDAKLMNLDYED-UHFFFAOYSA-N 313.408 -0.102 30 20 DBED CS(=O)(=O)Nc1ccc(C(=O)OCC(=O)NCC#N)cc1 731237346 FVRLHQHJXPDZMA-UHFFFAOYSA-N 311.319 -0.145 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)c2c[nH]nc2CC)CC1 733149320 FINAWSULZYJDTN-UHFFFAOYSA-N 317.393 -0.131 30 20 DBED C#CCCN1CCN(C(=O)CS(=O)(=O)CCOC)CC1 744364640 VWSZDLJARHMAPV-UHFFFAOYSA-N 302.396 -0.785 30 20 DBED CN1CCC(C#N)(NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)CC1 748843074 KWSCWBUMWZCNNA-NSHDSACASA-N 316.365 -0.133 30 20 DBED Cn1cnc(S(=O)(=O)NCC(=O)OCCCCC#N)c1 756452788 PTUVWANRNCGOMG-UHFFFAOYSA-N 300.340 -0.065 30 20 DBED CCN(C[C@@H](C)C#N)C(=O)COC(=O)[C@@H](C)NS(C)(=O)=O 758488861 VXBNBADCSSBQPY-VHSXEESVSA-N 319.383 -0.525 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](CC)C(=O)OC)C1=O 762806234 JUWPSFXOFMQZRQ-QMMMGPOBSA-N 312.278 -0.542 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)OCc2cc(C)nn2C)C1=O 766574528 YZCYPILRGLFOCE-UHFFFAOYSA-N 320.305 -0.251 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)CN(C)[C@H]1CCSC1 772059265 HCSBHKLQMXSHBX-JTQLQIEISA-N 315.395 -0.021 30 20 DBED C#CCOCCNC(=O)C(=O)Nc1ccc2c(c1)C(=O)NCC2 785159904 OOTNEYVVIOWUOD-UHFFFAOYSA-N 315.329 -0.323 30 20 DBED C=CCS(=O)(=O)CCNC(=O)[C@H]1CCC[C@H](C(N)=O)C1 787255746 BPRVKXPBUOTZPE-QWRGUYRKSA-N 302.396 -0.005 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)c1cnn2c1OCCC2 795725540 DMODOCHVLOTPEW-UHFFFAOYSA-N 308.294 -0.166 30 20 DBED C#CCC[C@H](O)CNC(=O)[C@H]1CCCN(S(=O)(=O)CC)C1 799080259 WDYKGCLXWRTHPC-STQMWFEESA-N 316.423 -0.061 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@@H](C)CN1CCCC1=O)[C@@H]1CCCO1 803119446 AOPKNDZSPVCFLH-AVGNSLFASA-N 321.377 -0.590 30 20 DBED C#C[C@H](NC(=O)C(=O)NCCOC[C@@H]1CCOC1)[C@@H]1CCCO1 804932136 CJBXSOSTWDPFRZ-RDBSUJKOSA-N 324.377 -0.547 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CC[C@@](C)(C(=O)OC)C1)[C@H]1CCCO1 809310999 FNJWJAHBOWNBKY-HWWQOWPSSA-N 322.361 -0.305 30 20 DBED C[C@H](OC(=O)[C@](C)(C#N)CC(=O)O)C(=O)NC(=O)NC1CC1 820161041 LTZHLMKXAXZJCZ-CPFSXVBKSA-N 311.294 -0.089 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)c1cnccc1C(=O)O 825687589 QGSIDKYRBHEJCV-UHFFFAOYSA-N 307.262 -0.052 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CC[C@H](C(=O)O)[C@@H](C)C1)[C@H]1CCCO1 861717079 WVCYDBCXOGLPRJ-ZDEQEGDKSA-N 322.361 -0.147 30 20 DBED COc1c[nH]c(CO)c(CN2CCN(CCC#N)CC2)c1=O 902352581 OEUFNODETKYZLZ-UHFFFAOYSA-N 306.366 -0.093 30 20 DBED N#CCCNC(=O)COC(=O)c1sccc1-n1cnnn1 915046534 BBKNYBGWELHUOI-UHFFFAOYSA-N 306.307 -0.090 30 20 DBED C#CC[C@@H](CO)NC(=O)N[C@@H]1CCN(C2CCN(C)CC2)C1 918912920 KGSJIXNDZGLYQC-KGLIPLIRSA-N 308.426 -0.162 30 20 DBED C#CC[C@H]1NC(=O)N(CC2(N3CCOCC3)CCOCC2)C1=O 927622916 NCTKPFWKFGJIQM-CYBMUJFWSA-N 321.377 -0.189 30 20 DBED CC#CCN1CC[C@H](NC(=O)CN2CCNC(=O)C2)[C@@H](C)C1 942560390 PIEAGAOMXXZTGR-KBPBESRZSA-N 306.410 -0.732 30 20 DBED Cc1ccc(=O)n(CC(=O)N[C@H]2CCN(CC#N)C[C@H]2C)n1 944241365 ITYSIVSMBNTKQS-YPMHNXCESA-N 303.366 -0.098 30 20 DBED CC#CCN1CCN(C(=O)CCc2nnc(O)nc2O)CC1 949069400 CZYINLOSQKABFI-UHFFFAOYSA-N 305.338 -0.617 30 20 DBED C=C(Cl)CN1CCN(C(=O)[C@@H]2CCN(C)S2(=O)=O)CC1 951715447 PQPSJIQOFPOSNO-NSHDSACASA-N 321.830 -0.083 30 20 DBED C=CCN1C[C@@H](O)[C@@H](CNC(=O)c2cnc3[nH]nnc3c2)C1 958135280 LJGMIHRTAPDBSO-CMPLNLGQSA-N 302.338 -0.439 30 20 DBED COc1cc(C)cnc1C(=O)NC[C@@H]1CN(CC#N)C[C@@H]1O 958143963 ADLQLDDEICRMKG-NEPJUHHUSA-N 304.350 -0.055 30 20 DBED CC[C@@H](OC)C(=O)N1C[C@H](O)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 962388151 QDLGQWTVJXESPC-FRRDWIJNSA-N 320.349 -0.387 30 20 DBED CCCn1nc(C(=O)NC2[C@H]3CN(CC#N)C[C@H]23)ccc1=O 962527894 QGCPFKKHOFSZPM-QWRGUYRKSA-N 301.350 -0.163 30 20 DBED C=C(Cl)CN1C[C@H]2C(NC(=O)C[C@H]3CC(=O)NC3=O)[C@@H]2C1 963104814 XJPYCLQIABJOQU-IVZWLZJFSA-N 311.769 -0.162 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)[C@@H]1[C@H]2COC[C@H]21 964317252 MPROOGIOPLYLAB-OBPIAQAESA-N 307.350 -0.618 30 20 DBED Cc1nonc1C(=O)N1CCOC2(C1)CN(C(=O)[C@H](C)C#N)C2 965409184 GLWSFPLYJPLVFC-SECBINFHSA-N 319.321 -0.409 30 20 DBED C[C@H](C#N)C(=O)N1CC2(C1)CN(C(=O)[C@@H]1[C@H]3COC[C@H]31)CCO2 965460289 UNJQZVBWRJKZMZ-NDBYEHHHSA-N 319.361 -0.522 30 20 DBED N#CCNC1CC2(C1)CC(NC(=O)CN1C(=O)CCC1=O)C2 965903415 XSCICPHKTWRJNB-UHFFFAOYSA-N 304.350 -0.324 30 20 DBED NC(=O)CC(=O)N1CC[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2CC1 967329204 ONROQCQWGDAWPX-OKILXGFUSA-N 317.389 -0.028 30 20 DBED C#CCCN1CC[C@H](C)[C@@H](NC(=O)CN2CCC(=O)NC2=O)C1 968517569 PFSYDXFMDYGJOG-STQMWFEESA-N 320.393 -0.222 30 20 DBED C#CCN(C)[C@H]1CCN(C(=O)CN2CCCCS2(=O)=O)C1 971953285 RVTKBORHDBWKIZ-ZDUSSCGKSA-N 313.423 -0.422 30 20 DBED C[C@H]1CCN(C(=O)C(=O)N2CC[C@@]3(CN(CC#N)CCO3)C2)C1 972629885 FHAQPIXQMHJRFH-XJKSGUPXSA-N 320.393 -0.318 30 20 DBED CCN1C[C@H](C(=O)N[C@H]2[C@@H]3CN(C(=O)[C@@H](C)C#N)C[C@@H]32)CC1=O 976665263 XJOVTUIDQOXNDM-SVPLCASGSA-N 318.377 -0.413 30 20 DBED CN1CCO[C@H](C(=O)NC[C@H]2CCN(C(=O)C#CC3CC3)C2)C1 982738786 AIRQJCCCWPCUFV-CABCVRRESA-N 319.405 -0.305 30 20 DBED C#Cc1cncc(C(=O)N(C)[C@H]2CCCN(C(=O)C(N)=O)C2)c1 984579977 WPKBKYWRTRRFJO-ZDUSSCGKSA-N 314.345 -0.389 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)Cn3cnnn3)C[C@@H]2C1 985706518 RNZFVKYLBFPODN-TUAOUCFPSA-N 317.353 -0.860 30 20 DBED C#CCN[C@@H]1CCN(C(=O)Cn2nc3ccccn3c2=O)[C@@H]1C 986621665 DUSPGOAUSHVSIV-CHWSQXEVSA-N 313.361 -0.292 30 20 DBED CN(C[C@@H]1CCN(C(=O)C#CC2CC2)C1)C(=O)[C@@H]1CCNC1=O 987990147 FROWSDBCVZFCNK-UONOGXRCSA-N 317.389 -0.157 30 20 DBED C[C@@]1(C(=O)N2CC(NC(=O)c3cc(C#N)c[nH]3)C2)CCC(=O)N1 990713092 WZPHCPVXMRPDNO-HNNXBMFYSA-N 315.333 -0.504 30 20 DBED C#CCN[C@@H]1CCC[C@@H]2CN(C(=O)CCn3cnnn3)C[C@@H]21 992882301 ZFSBQNGNCLVZLT-HZSPNIEDSA-N 302.382 -0.087 30 20 DBED C#Cc1ccc(C(=O)N2CC(CNC(=O)c3[nH]nnc3C)C2)cn1 1003532199 PGXZNVHGBRTRDT-UHFFFAOYSA-N 324.344 -0.009 30 20 DBED C=C(C)CN1CCC(N(C)C(=O)CN2CCNC(=O)C2)CC1 1005814884 KUGSAODMEOVVQM-UHFFFAOYSA-N 308.426 -0.083 30 20 DBED C#CCN1CCC[C@H](NC(=O)c2coc(S(N)(=O)=O)c2)C1 1007676266 AAUKURTYKYPRRV-NSHDSACASA-N 311.363 -0.246 30 20 DBED CC#CCN1CCC[C@H](NC(=O)Cn2ccc(O)nc2=O)C1 1007830240 CNIPDUPELQOBBO-LBPRGKRZSA-N 304.350 -0.447 30 20 DBED O=C1C[C@H](C(=O)N2CCN(C(=O)C#CC3CC3)CC2)CCN1 1010987404 URFAGYUHJUCBSY-CYBMUJFWSA-N 303.362 -0.403 30 20 DBED Cn1cnc(C(=O)N2CCN(C(=O)c3c[nH]c(C#N)c3)CC2)n1 1011026172 OLGAKRAYLRLDJE-UHFFFAOYSA-N 313.321 -0.387 30 20 DBED CC(=O)N1CCO[C@H](C(=O)N2CCN(C(=O)[C@@H](C)C#N)CC2)C1 1011999359 DDGRDPPUDVWVKN-AAEUAGOBSA-N 322.365 -0.936 30 20 DBED C=CCN1CC[C@@H](N2CC[C@H](NC(=O)c3nc[nH]n3)C2)C1=O 1015871754 RZMIUHGMBKVHRS-WDEREUQCSA-N 304.354 -0.604 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CC[C@@H](C)N(C(=O)C(N)=O)C2)nn1 1018159357 FOIYXGMYIRIPIJ-NXEZZACHSA-N 320.353 -0.941 30 20 DBED C=CCCN1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CNC1=O 1018245550 HFLQXPOZWMMVIG-TXEJJXNPSA-N 306.366 -0.211 30 20 DBED N#CCN[C@H]1CCN(C(=O)Cn2nnc(-c3ccco3)n2)C1 1019075933 CRKSCZZZBQKPTD-JTQLQIEISA-N 301.310 -0.353 30 20 DBED N#CCN[C@H]1C[C@H](NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 1020150093 KZDKSCZLGBWFCO-DCAQKATOSA-N 302.338 -0.477 30 20 DBED COCCn1cc(C(=O)N2C[C@@H]3[C@@H](CC[C@H]3NCC#N)C2)nn1 1026261882 BCKHFNHIRDVULH-YNEHKIRRSA-N 318.381 -0.112 30 20 DBED N#CCN[C@@H]1CC[C@@H]2CN(C(=O)CN3C(=O)CCC3=O)C[C@H]21 1026416043 PLNGXUFTEPWQPA-IJLUTSLNSA-N 304.350 -0.514 30 20 DBED C#CCCN1[C@H]2CC[C@H]1CN(C(=O)[C@@H]1CC(=O)NC(=O)N1)C2 1029494437 GVDLFVHUVGMSHI-SRVKXCTJSA-N 304.350 -0.717 30 20 DBED CC#CCN1CC(CNC(=O)[C@@H]2CC(=O)N(CCOC)C2)C1 1031711576 INNUDVGKDXPZFT-CQSZACIVSA-N 307.394 -0.447 30 20 DBED C=CCn1cc(C(=O)NCC2CN(Cc3ncnn3C)C2)nn1 1032036303 XPQMTQGNSGJIHL-UHFFFAOYSA-N 316.369 -0.546 30 20 DBED N#CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C1CC1)N1CCOCC1 1032794050 MQNFTKLTUAUSJR-SOUVJXGZSA-N 304.394 -0.094 30 20 DBED N#CCN1CCO[C@@H](CNC(=O)[C@@H]2CCc3nccn3C2)C1 1035421019 SUAHAHBIOYBWBS-OLZOCXBDSA-N 303.366 -0.214 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)c3cnc(O)n(C)c3=O)CC[C@H]21 1036789952 ACCLNXXKMJDZPP-DGCLKSJQSA-N 316.361 -0.345 30 20 DBED C=C(C)CCC(=O)NC[C@@]1(O)CCN(C(=O)CC(=O)NC)C1 1039986754 GQVVVFBTWCUZPV-HNNXBMFYSA-N 311.382 -0.442 30 20 DBED C[C@H]1[C@@H](Nc2cncc(C#N)n2)CCN1C(=O)Cn1ncnn1 1040187321 YHKDODSQCCHIPR-ONGXEEELSA-N 313.325 -0.564 30 20 DBED C=CC(C)(C)C(=O)NC[C@@]1(O)CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 1040487928 HACWORMWBJFFQE-GDLVEWKHSA-N 323.393 -0.600 30 20 DBED Cc1n[nH]cc1C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1O 1041270624 NPNCZLYQKFXVJB-GHMZBOCLSA-N 313.321 -0.641 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(O)(CNC(=O)c2cc(C)[nH]n2)C1 1041726883 JRXDGNQPAYZYDO-CQSZACIVSA-N 322.365 -0.652 30 20 DBED N#CCN1CC[C@@H]2CCN(C(=O)C3CC(=O)NC(=O)C3)C[C@@H]21 1042269934 MKVHMYLPCIBAFE-PWSUYJOCSA-N 304.350 -0.514 30 20 DBED C#CCCCCC(=O)NCC1(O)CN(C(=O)[C@@H](C)NC(C)=O)C1 1042659057 YHYKFKRFPRAUDI-GFCCVEGCSA-N 323.393 -0.606 30 20 DBED N#Cc1nccc(N2C[C@H](O)[C@H](NC(=O)[C@]3(F)CCOC3)C2)n1 1044425234 CSYLVVJLDHJDBX-BFVZDQMLSA-N 321.312 -0.857 30 20 DBED C=CCCCC(=O)NCC1(O)CN(C(=O)c2cncnc2O)C1 1045458578 GUKDFHAKMZTOIV-UHFFFAOYSA-N 320.349 -0.158 30 20 DBED Cc1nc(C(=O)N2CC(O)(CNC(=O)[C@@H](C)C#N)C2)c(C)o1 1045546449 MHGQXXLASZIWGL-QMMMGPOBSA-N 306.322 -0.246 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)c2cn3c(n2)CCC3)C1 1045559069 FYQLXLBNIOWMKE-JTQLQIEISA-N 317.349 -0.708 30 20 DBED COCCC[C@H](C)C(=O)NCC1(O)CN(C(=O)[C@@H](C)C#N)C1 1046585548 UUTDEKULNAEVSS-RYUDHWBXSA-N 311.382 -0.102 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)CN(C)CC(C)(C)C)C1 1046695328 CUZXJYABSYSXFI-LBPRGKRZSA-N 324.425 -0.187 30 20 DBED C=CCOCC(=O)N1C[C@H]2C[C@@H](NC(=O)CC(N)=O)C[C@H]1C2 1047415692 CHIZOIHCGQMVRT-QJPTWQEYSA-N 309.366 -0.440 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCNC2=O)C1 1047417065 MAKPBEREESQBOR-WOPDTQHZSA-N 315.801 -0.231 30 20 DBED Cc1nc2n(n1)C[C@H](C(=O)N(C)[C@H]1CN(CC#N)C[C@@H]1O)CC2 1047468698 QPLDMWXDUQASRG-AGIUHOORSA-N 318.381 -0.824 30 20 DBED CN(C(=O)C(N)=O)[C@H]1CN(Cc2ccc(F)c(C#N)c2)C[C@@H]1O 1047507386 VEHKZTVXYRRPRY-STQMWFEESA-N 320.324 -0.814 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3nncn3C2)C1 1047638751 HFMXACNITCPVRL-IHRRRGAJSA-N 317.393 -0.633 30 20 DBED C=CCCC(=O)N(C)[C@H]1CN(C(=O)Cn2cccn2)C[C@@H]1O 1048506099 IBIGZBTXYLCGJF-STQMWFEESA-N 306.366 -0.121 30 20 DBED C=C(C)C[C@@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CC(N)=O)C1 1048613635 YNPSTFAUTKLLQA-WOPDTQHZSA-N 311.382 -0.506 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)c1nnn(C(C)(C)C)n1 1050927119 IEOMAUONCDUSFR-LLVKDONJSA-N 306.370 -0.508 30 20 DBED N#CCN1CCOC[C@H]1CNC(=O)c1cnc2n1CCOC2 1050963728 IPTUOZGAUFRKKU-LLVKDONJSA-N 305.338 -0.633 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](C)[C@@H](CNC(=O)C2CC2)C1 1052398126 UJMUXZXLUQUJAK-YPMHNXCESA-N 305.378 -0.253 30 20 DBED C#CCN1CC2(CC[C@@H](CNC(=O)c3cn(C)c(=O)cn3)O2)C1 1053629303 LOIKKBXXCODNQX-LBPRGKRZSA-N 316.361 -0.623 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)c3cnc4[nH]nnc4c3)CO2)C1 1053830465 BZHIZGCGZZXKMT-NSHDSACASA-N 312.333 -0.441 30 20 DBED COCc1cc(C(=O)N[C@@H]2COC3(C2)CN(CC#N)C3)no1 1053946753 CVSMPPXEDGVKIV-JTQLQIEISA-N 306.322 -0.082 30 20 DBED C=CCO[C@H](C)C(=O)N1C[C@@H]2CN(C(=O)c3nc[nH]n3)C[C@@H]2C1 1055379517 FXTLKGHEFKCKQV-UTUOFQBUSA-N 319.365 -0.074 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CN(C(=O)COCCN(C)C)C[C@H]2C1 1055405424 VRXGHTHGSSZWCV-MCIONIFRSA-N 322.409 -0.359 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CN(C(=O)COCCN(C)C)C[C@H]2C1 1055405427 VRXGHTHGSSZWCV-MELADBBJSA-N 322.409 -0.359 30 20 DBED Cc1cc(C#N)nc(N2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)n1 1056023859 AJNWQUQEZPIGTO-NEPJUHHUSA-N 314.349 -0.573 30 20 DBED CCc1nc(C#N)cc(N2CCN(C(=O)c3cnn[nH]3)CC2)n1 1056080615 NXSYYOJYNXSPIJ-UHFFFAOYSA-N 312.337 -0.009 30 20 DBED C=CC(C)(C)CC(=O)N1CCC[C@@](CO)(NC(=O)C(N)=O)C1 1056088058 QCQAJXLKLCLDDJ-OAHLLOKOSA-N 311.382 -0.456 30 20 DBED Cn1cnc(C(=O)NC2[C@@H]3CN(c4cnc(C#N)cn4)C[C@@H]23)c1 1056185421 HMCMJQHIODJERO-GHMZBOCLSA-N 309.333 -0.054 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H]2CCCN(C(=O)COC)[C@@H]2C1 1056582856 ZEBXUFKKASIURA-QWHCGFSZSA-N 321.377 -0.778 30 20 DBED C#Cc1ccc(C(=O)NCCN(CCO)C(=O)COCC)nc1 1056866852 XMLHFYAYPQQXMQ-UHFFFAOYSA-N 319.361 -0.350 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)CNC(=O)C1CC1 1057078599 ZYGSWRAADIQPQD-UHFFFAOYSA-N 323.393 -0.747 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)[C@@H]1CCNC(=O)C1 1057336238 XFQQAWDUVHBSTH-CYBMUJFWSA-N 323.393 -0.747 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)[C@H]1C[C@@H]1C(=O)OC 1057439212 BPAAMVDJWSGJQG-STQMWFEESA-N 324.377 -0.464 30 20 DBED C=CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)CCOC 1057921519 JMDXCCOZFCQOQA-LBPRGKRZSA-N 302.371 -0.449 30 20 DBED N#Cc1ccc(N2CCC(NC(=O)[C@H]3CNC(=O)N3)CC2)cn1 1057934356 YVIKXWZWVJLEJK-CYBMUJFWSA-N 314.349 -0.280 30 20 DBED N#Cc1ccc(N2CCC[C@@H](NC(=O)Cn3ncnn3)C2)nc1 1058196872 IDCLCFYCSWGSSA-GFCCVEGCSA-N 312.337 -0.275 30 20 DBED Cc1nc(N2CC[C@H](NC(=O)[C@@H]3CNC(=O)N3)C2)ccc1C#N 1058530885 BYOYECFBCIWPCJ-RYUDHWBXSA-N 314.349 -0.362 30 20 DBED N#Cc1cnc(N2CC[C@@H](NC(=O)[C@@H]3CNC(=O)N3)C2)c(F)c1 1058531836 ZPWPLHGGRVQQTC-KOLCDFICSA-N 318.312 -0.531 30 20 DBED Cc1nccc(C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N)n1 1058658634 HTZOZBVVNAHBDQ-JTQLQIEISA-N 305.338 -0.505 30 20 DBED Cc1cc(C)n(CC(=O)NCCN(CCO)C(=O)[C@H](C)C#N)n1 1058660972 MEUAICRBXACGNO-LLVKDONJSA-N 321.381 -0.403 30 20 DBED CN1C[C@@H](C(=O)N[C@H]2C[C@H](Nc3cncc(C#N)n3)C2)CC1=O 1059446199 MEIGEDHNBBESGF-DCAQKATOSA-N 314.349 -0.114 30 20 DBED C#CCO[C@H](C)C(=O)NCC[C@H]1CCN(C(=O)CC(=O)NC)C1 1059526282 ODPGAYBYLKQTQW-OLZOCXBDSA-N 323.393 -0.484 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H]2CC[C@H](CNC(=O)C(N)=O)CC2)c1 1060704169 WCDJLDPYSVTWOK-HOMQSWHASA-N 317.349 -0.224 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1COCCN1C(=O)c1cn[nH]c1 1061569315 CLWXOPLFPLALJZ-CYBMUJFWSA-N 302.334 -0.220 30 20 DBED CN(C(=O)c1nnn(C)n1)[C@H]1CCN(c2ccncc2C#N)C1 1063013696 XIWLUMYXXXNOPI-NSHDSACASA-N 312.337 -0.172 30 20 DBED N#Cc1cnc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)c2nccnc2N)cn1 1064225201 APUAHIZRCMJTLU-QRTLGDNMSA-N 322.332 -0.272 30 20 DBED C=CCCC(=O)N1CCO[C@@H](CNC(=O)[C@@H]2CCC(=O)NC2)C1 1064959806 NWCBGQOQAVELQU-OLZOCXBDSA-N 323.393 -0.178 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@H]1CN(C(=O)c2nc[nH]n2)CCO1 1065447021 LROAFMLGPMZSKR-IINYFYTJSA-N 323.353 -0.911 30 20 DBED N#Cc1cnc(N2C[C@@H](O)[C@@H](CNC(=O)c3cc[nH]n3)C2)cn1 1067651440 LVNJIUWZXPXTQD-JOYOIKCWSA-N 313.321 -0.702 30 20 DBED N#Cc1ccc(NCC2CC(NC(=O)[C@@H]3CNC(=O)N3)C2)nc1 1067883793 QISYQBGMDRZNHO-MCIGGMRASA-N 314.349 -0.059 30 20 DBED C=CCOCC(=O)N[C@@H]1COC2(C1)CN(C(=O)c1cnn[nH]1)C2 1068768102 YJKDBRCJVOWDQQ-JTQLQIEISA-N 321.337 -0.893 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1COC2(C1)CN(C(=O)CC1(O)CCC1)C2 1069003669 OKUZAUZNGXSOEV-RYUDHWBXSA-N 321.377 -0.063 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)[C@H]2CCNC2=O)CCOCC1 1070185561 BGSQDTNETIUAFF-QWRGUYRKSA-N 322.365 -0.936 30 20 DBED Cn1cc(C(=O)NCc2c[nH]nc2[C@H]2CCN(CC#N)C2)nn1 1070407790 JQZAKQVLWNHMPE-JTQLQIEISA-N 314.353 -0.219 30 20 DBED N#CCN1CCOC[C@H]1c1n[nH]c(CNC(=O)c2ncc[nH]2)n1 1070584940 LLISZFULBBKBLQ-VIFPVBQESA-N 316.325 -0.645 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCC[C@@H](NC(=O)CC(=O)NC)C1 1070667867 UIDNDIBCAOEVSO-IAQYHMDHSA-N 311.382 -0.443 30 20 DBED C#CCOCCC(=O)N1CCC[C@@H](NC(=O)Cn2cncn2)C1 1070730665 OLNUMOMIAXDAGN-CYBMUJFWSA-N 319.365 -0.575 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)C4CN(C(C)=O)C4)C[C@@]3(C1)O2 1070792542 ZJIDZQSAUPZQNG-BFYDXBDKSA-N 317.389 -0.600 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CCCN(C(=O)Cn2nccn2)C1 1070793100 XUOZNLGADQYEJW-DOMZBBRYSA-N 321.381 -0.288 30 20 DBED C=CCOCC(=O)N[C@@H]1CCCN(C(=O)C[C@H]2CCNC2=O)C1 1070839860 UWZUPLKUMGGOKL-CHWSQXEVSA-N 323.393 -0.178 30 20 DBED CC#CCN1CCNC(=O)CCN(C(=O)[C@H](O)C(C)C)CC1 1070961069 LCLJJLVPYCJJIQ-OAHLLOKOSA-N 309.410 -0.323 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)CCNC(N)=O 1072038466 FKJKOTJXVBUCGV-ZYHUDNBSSA-N 306.366 -0.579 30 20 DBED CC#CCN1C[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)CC[C@H]1C 1072055372 TXZOSUKBJVHUEV-OLZOCXBDSA-N 320.393 -0.127 30 20 DBED C#CCOCCC(=O)N1C[C@H](C)[C@H](NC(=O)CNC(=O)CC)C1 1072096913 GBBBNCXWLQDDKT-QWHCGFSZSA-N 323.393 -0.484 30 20 DBED C[C@H]1CN(C(=O)C(N)=O)C[C@H]1NC(=O)CC#Cc1ccccc1 1072641072 KFHOEXXBIAMTDZ-GXTWGEPZSA-N 313.357 -0.123 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@H](NC(=O)CC(N)=O)C(C)(C)C1 1073355582 QBKYEASWIOGCNT-RYUDHWBXSA-N 323.393 -0.357 30 20 DBED CC#CCN1CCCO[C@@H](CNC(=O)c2nnc(O)nc2O)C1 1073680359 ZUWZEVJGAFSIIH-JTQLQIEISA-N 321.337 -0.873 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)c3cncnc3O)C[C@H]21 1074276879 UZVVKKSOHWFVSM-CHWSQXEVSA-N 302.334 -0.269 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)CCSC 1075534402 JSIYUISGDCSOEM-NSHDSACASA-N 313.423 -0.110 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN2C(=O)C(C)(C)C)C1 1077040521 YXCGTFBCVAZMOH-HZSPNIEDSA-N 321.421 -0.182 30 20 DBED C=CCCOCC(=O)NCC[C@H](C)NC(=O)c1c[nH]c(=O)cn1 1077062824 MDZPVVLVBXSMJZ-NSHDSACASA-N 322.365 -0.013 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2Cc3cc(F)ccc3O2)C1 1077767490 DNRNOZLMWQNRMF-BZPMIXESSA-N 305.309 -0.186 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCN(C(C)=O)C2)C1 1078090362 OTKLLXHRRKPZQT-RBSFLKMASA-N 309.410 -0.018 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CN(CC)CCO2)C1 1078209970 PBCFUDJYEYZOER-RBSFLKMASA-N 311.426 -0.165 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(N(CC)C(=O)Cc2nc[nH]n2)C1 1080591639 UISSBOMNVMHTKF-OAHLLOKOSA-N 321.381 -0.266 30 20 DBED COCC(=O)NC[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1O 1081179597 ZXOMDDLECIXINK-CMPLNLGQSA-N 306.322 -0.918 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cc(C)no2)C1 1081256595 NPNWYUWKRCNSSX-NEPJUHHUSA-N 323.349 -0.265 30 20 DBED C#CCOCCC(=O)N1C[C@H](CNC(=O)/C(C)=C/C)[C@@H](O)C1 1081397687 UTBYOZKWAHZGOA-NUIMBWKGSA-N 308.378 -0.072 30 20 DBED C=CCCOCC(=O)N1C[C@@H](O)[C@H](CNC(=O)C#CC2CC2)C1 1081474132 NTSQSBAWUIEIKZ-HUUCEWRRSA-N 320.389 -0.072 30 20 DBED C=CCn1cccc1C(=O)N[C@@H]1CN([C@H](CC)C(N)=O)C[C@@H]1O 1083526551 XXQOUSQEJLENNK-BZPMIXESSA-N 320.393 -0.287 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2cccc(-n3cncn3)c2)C1 1083765563 JWMLYZZQSGTGJS-KGLIPLIRSA-N 312.333 -0.434 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)[C@H]2Cc3cc(F)ccc3O2)C1 1083826652 DNRNOZLMWQNRMF-MBNYWOFBSA-N 305.309 -0.186 30 20 DBED C=CCCN1CC[C@@H](NC(=O)c2cn(CCOC)nn2)[C@H](O)C1 1090259441 UMMQOYFWUKQKFI-TZMCWYRMSA-N 323.397 -0.334 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(c2nccc(OC)n2)C[C@H]1O 1090488234 FLYXJKIBHCZWFP-QJPTWQEYSA-N 320.349 -0.811 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2cnc3n2CCCC3)[C@@H](O)C1 1090513931 DXFQKIBGLTWITA-YPMHNXCESA-N 303.366 -0.092 30 20 DBED CCOCC(=O)N1CCCO[C@H](CN=c2cc[nH]c(C#N)n2)C1 1090564227 ZWNASNJMNVJSFY-GFCCVEGCSA-N 319.365 -0.164 30 20 DBED CO[C@@H](C(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O)C(C)C 1091179437 TVYMSLFXTOFCLM-MBNYWOFBSA-N 319.365 -0.315 30 20 DBED CC#CCN1C[C@@H]2CN(C(=O)CN3CCNC(=O)C3)C[C@]2(C)C1 1091913299 WGDYFVMEIKEFMD-PBHICJAKSA-N 318.421 -0.778 30 20 DBED N#Cc1nc(=NCCCNC(=O)Cn2ccccc2=O)cc[nH]1 1094428469 CYUMTODJJWRESI-UHFFFAOYSA-N 312.333 -0.450 30 20 DBED C[C@@]1(C(=O)NCCCN=c2cc[nH]c(C#N)n2)CCC(=O)NC1 1094714637 JYBUHMVSXLIYRQ-OAHLLOKOSA-N 316.365 -0.395 30 20 DBED N#CCN1CC(N2C[C@@H](NC(=O)c3nccs3)CC2=O)C1 1094804692 ZUGGQXVIJLUBHB-VIFPVBQESA-N 305.363 -0.318 30 20 DBED N#CCN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN1CCCNC1=O)C2 1094953268 CSASSQVGHRYJGH-XQQFMLRXSA-N 305.382 -0.106 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](N(C)c2ncc(F)cn2)C1 1095109896 AHVSVJPSWLLFKH-GFCCVEGCSA-N 319.340 -0.208 30 20 DBED CN(CCCNC(=O)Cn1nccn1)c1ccc(C#N)nn1 1095653469 CEXKQDXFZKAEBC-UHFFFAOYSA-N 300.326 -0.418 30 20 DBED CC(=O)N[C@H](C)C(=O)N1CC[C@H](N=c2cc[nH]c(C#N)n2)C1 1096913557 KUEOUCJNBJCJQW-KOLCDFICSA-N 302.338 -0.692 30 20 DBED CNC(=O)CC(=O)N[C@H]1C[C@@H](N=c2cc(C)[nH]cc2C#N)C1 1097180014 PXRDFYUSCLKADD-TXEJJXNPSA-N 301.350 -0.121 30 20 DBED N#Cc1nc(=N[C@H]2C[C@@H](NC(=O)CCCC(N)=O)C2)cc[nH]1 1097193685 PDUSGXHFZNYIFG-AOOOYVTPSA-N 302.338 -0.515 30 20 DBED Cc1cc(C#N)nc(N[C@@H](C)CNC(=O)[C@H](C)NC(N)=O)n1 1097773519 FYSPTAZAKNQEBO-IUCAKERBSA-N 305.342 -0.370 30 20 DBED CNC(=O)NCCC(=O)NC[C@H](C)N=c1cc(C)[nH]cc1C#N 1097805449 DRKNFTSFPPEJED-NSHDSACASA-N 318.381 -0.081 30 20 DBED CNC(=O)NCCC(=O)NC[C@H](C)N=c1cc[nH]c(C#N)n1 1097806698 RZLZDMFKLDLRBT-VIFPVBQESA-N 305.342 -0.994 30 20 DBED C[C@H](CNC(=O)c1ccc(=O)n(C)n1)Nc1ccc(C#N)nn1 1097850797 FKHFZYPGRGJPKC-SECBINFHSA-N 313.321 -0.328 30 20 DBED C[C@H](CNC(=O)C[C@@H]1CCCC(=O)N1)N=c1cc[nH]c(C#N)n1 1098410557 BEDNUYFNJLXQEX-MNOVXSKESA-N 316.365 -0.254 30 20 DBED C#CCN(CCO)C1CCN(C(=O)[C@]2(C)CCC(=O)N2)CC1 1098473019 NTGCEMMVSUEOQC-INIZCTEOSA-N 307.394 -0.426 30 20 DBED N#CCNCc1cn([C@H]2CCN(C(=O)c3cnccn3)C2)nn1 1098601130 LVDTZDQVWBUDDC-LBPRGKRZSA-N 312.337 -0.232 30 20 DBED C[C@@H](CCNC(=O)[C@@H](C)CC(N)=O)N=c1cc[nH]c(C#N)n1 1099617260 SNSHKFQQGBANCA-UWVGGRQHSA-N 304.354 -0.412 30 20 DBED C=CC(C)(C)C(=O)N[C@H]1CCN(CCOCCO)C[C@H]1O 1099959119 CJZDVCJOLGEWIZ-QWHCGFSZSA-N 300.399 -0.241 30 20 DBED C#CCCN1CC[C@H](NC(=O)COc2cnn(C)c2)[C@H](O)C1 1099971229 CYYJBHCFUGGBOJ-UONOGXRCSA-N 306.366 -0.626 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)Cc2cncn2C)[C@H](O)C1 1100074973 WIZJWRPNQKWYFI-HUUCEWRRSA-N 320.393 -0.836 30 20 DBED C=CCNC(=O)CNC1CC(CNC(=O)CCc2nc[nH]n2)C1 1100226806 RXRLKEKNKCBDFQ-UHFFFAOYSA-N 320.397 -0.476 30 20 DBED Cc1cc(C#N)nc(N(C)CCNC(=O)[C@@H]2CC[C@H]2C(N)=O)n1 1100269459 ZGSJVBSPVGERET-VXGBXAGGSA-N 316.365 -0.279 30 20 DBED C#Cc1cncc(C(=O)NCC2CC(NCC(=O)NC)C2)c1 1100657842 KNUOGCBCGSSMBP-UHFFFAOYSA-N 300.362 -0.093 30 20 DBED C=CCOCCN1C[C@@H]2CN(C(=O)c3nnn(C)n3)C[C@]2(C)C1 1101326975 MMJXCDMJGJGSKK-DOMZBBRYSA-N 320.397 -0.193 30 20 DBED C#CCNC(=O)[C@H](C)N1CC2(C[C@@H](NC(C)=O)c3nccn32)C1 1101599799 WXOFYBYDDPQZAW-WCQYABFASA-N 315.377 -0.387 30 20 DBED C[C@H](NC(N)=O)C(=O)N[C@@H]1CC2(CN(CC#N)C2)n2ccnc21 1101623673 IJBYATIRSRCWGN-VHSXEESVSA-N 317.353 -0.965 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)C[C@H](C)OC)C1 1101803889 GKLLVEFBWKWKOL-HZSPNIEDSA-N 309.410 -0.155 30 20 DBED C=CCN1C[C@@H](C)[C@H](CNC(=O)CS(=O)(=O)CCOC)C1 1102095606 YUFMIADOLUAYNJ-CHWSQXEVSA-N 318.439 -0.082 30 20 DBED CN(C[C@H]1CCN(C(=O)CNC(N)=O)C1)c1cnc(C#N)cn1 1102428212 UYPKGDANXNTEPW-SNVBAGLBSA-N 317.353 -0.699 30 20 DBED C[C@H](CC(N)=O)C(=O)N(C)[C@@H]1CCN(c2ccnc(C#N)n2)C1 1102752486 IFPSVVMYZOOUON-GHMZBOCLSA-N 316.365 -0.103 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)[C@H]1CN(C)CCO1 1103889831 IYCXXOHHXODTJL-VXGBXAGGSA-N 318.381 -0.735 30 20 DBED C[C@@H](CNc1ccc(C#N)nn1)N(C)C(=O)Cn1cnnc1O 1104528086 TUQMWNOMHINLTC-VIFPVBQESA-N 316.325 -0.396 30 20 DBED C=CCOCC(=O)N1CC(n2cc(CN[C@@H](C)COC)nn2)C1 1105191959 IQEMXEAUSIVDAV-LBPRGKRZSA-N 323.397 -0.012 30 20 DBED Cc1cc(C(=O)NC[C@H](O)CN=c2cc[nH]c(C#N)n2)on1 1105746345 GTKISQLLKMWKCG-SECBINFHSA-N 302.294 -0.731 30 20 DBED N#Cc1cnc(NC[C@@H](O)CNC(=O)CCc2ncc[nH]2)cn1 1105804369 POGNYKFDHSBMDD-LLVKDONJSA-N 315.337 -0.407 30 20 DBED CCO[C@H](C(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1)C1CC1 1105974697 FZZRKVLKNJQLIR-RISCZKNCSA-N 319.365 -0.526 30 20 DBED C=C[C@H](C)[C@@H](C)C(=O)NCc1cn(C2CN(CC(N)=O)C2)nn1 1107198232 YBQCJEWLIANLNW-WDEREUQCSA-N 320.397 -0.306 30 20 DBED CC#CCN1CCO[C@](C)(CNC(=O)C[C@H](C)NC(N)=O)C1 1107942626 UMGTWUGLFBSTNZ-SWLSCSKDSA-N 310.398 -0.336 30 20 DBED C[C@H]1CCCN(C(=O)C(=O)NC[C@@]2(C)CN(CC#N)CCO2)C1 1108262071 CNOUUICJPSOWDQ-BBRMVZONSA-N 322.409 -0.024 30 20 DBED CCOCC(=O)N1C[C@H]2C[C@@H](NCC(=O)NCC#N)C[C@H]1C2 1108608885 ULBCCGQJOQVXMF-YNEHKIRRSA-N 308.382 -0.368 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)[C@@]1(C)CNC(=O)C1 1108610445 GLSYREQXNVPFFO-LKFCYVNXSA-N 302.338 -0.787 30 20 DBED C[C@@H](CNc1nccnc1C#N)NC(=O)[C@@H](C)S(C)(=O)=O 1108773694 KXDCNUGGUOQBCZ-DTWKUNHWSA-N 311.367 -0.302 30 20 DBED C[C@@H](CN(C)c1ccc(C#N)nn1)NC(=O)C[C@@H](C)NC(N)=O 1109096587 DOUMLXZYRRMEBQ-ZJUUUORDSA-N 319.369 -0.264 30 20 DBED CS(=O)(=O)CCC(=O)NCC1(Nc2cncc(C#N)n2)CC1 1110391005 QICMZVHUSYTEST-UHFFFAOYSA-N 323.378 -0.156 30 20 DBED CC(=O)NCC(=O)NC1(C)CCN(c2ccnc(C#N)n2)CC1 1110567308 KFIOIKOPTWUYHC-UHFFFAOYSA-N 316.365 -0.041 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CS(=O)(=O)CCOC 1110729879 QLRRVMUPEFBVSW-UPJWGTAASA-N 314.407 -0.598 30 20 DBED C=CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H](CCC(N)=O)NC(C)=O 1111152105 OSNLQWGYHCVDJQ-SYQHCUMBSA-N 322.409 -0.336 30 20 DBED COCCCC(=O)N(C)[C@H]1CN(c2nccnc2C#N)C[C@@H]1O 1111172348 XWRHZYHCUMRXGP-STQMWFEESA-N 319.365 -0.217 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1COCCN1c1cnc(C#N)cn1 1111663489 WSJTVNSWETUBIK-ZYHUDNBSSA-N 300.322 -0.171 30 20 DBED Cc1nn[nH]c1C(=O)N[C@@H](C)[C@@H](C)N=c1cc[nH]c(C#N)n1 1113249370 RMZDKGOVGREYLC-SFYZADRCSA-N 300.326 -0.184 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)C[C@H]2CCC(=O)N2)CC1 1113422432 PILAOXKWTDKRET-CHWSQXEVSA-N 322.409 -0.510 30 20 DBED C[C@@H](CNC(=O)c1cc(=O)n(C)o1)N(C)c1cncc(C#N)n1 1113579909 XQHGJFNOTOPEII-VIFPVBQESA-N 316.321 -0.105 30 20 DBED C[C@@H](CNC(=O)CCn1cnnn1)N(C)c1nccnc1C#N 1113685631 FBMVUKCJLWCCLU-JTQLQIEISA-N 315.341 -0.634 30 20 DBED Cc1nsc(N(C)[C@@H](C)CNC(=O)Cn2ncnn2)c1C#N 1113722676 CZEMREZAWNEXBV-QMMMGPOBSA-N 320.382 -0.049 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3cnccn3)[C@H]2C1 1113790675 KIDKISIUAHRJFW-YABSGUDNSA-N 301.350 -0.561 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@@H]2CN(C[C@@H]3CCCOC3)C[C@@H]12 1114160239 UKTUMTGVUZUZOI-BFHYXJOUSA-N 319.405 -0.401 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)c3ncc[nH]3)[C@H]2C1 1114237931 VSZNQNNKSSWDFZ-WYUUTHIRSA-N 303.366 -0.240 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)C3(COCC)CC3)[C@H]2C1 1114491394 URUAHBGSYCNQAF-NHAGDIPZSA-N 319.405 -0.401 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)[C@@H]3CCO[C@H]3C=C)[C@@H]2C1 1114855963 FXOUDWBRHTTZAJ-SYQHCUMBSA-N 319.405 -0.074 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)Cc3[nH]cnc3C)[C@@H]2C1 1115169281 DMFWACLPBFHPJQ-VXGBXAGGSA-N 317.393 -0.391 30 20 DBED COCC#CCN1C[C@@H]2C(NC(=O)[C@H]3CCCN3C(C)=O)[C@H]2C1 1115317146 BEBISXGKBGCPBD-SOUVJXGZSA-N 319.405 -0.307 30 20 DBED C=CCNC(=O)CNC(=O)c1cn(CCOC)c(C)cc1=O 1117403924 SYRRHEWNYOWYJJ-UHFFFAOYSA-N 307.350 -0.165 30 20 DBED C#CCOCCNC(=O)C(=O)N[C@@H](C)CN1CCC(C)CC1 1118622017 QHBJGPDLXISNPD-AWEZNQCLSA-N 309.410 -0.011 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)NC1CCN(CC#N)CC1 1119186983 OTCQZNPQOJGPBX-CYBMUJFWSA-N 320.393 -0.365 30 20 DBED N#Cc1nccnc1N[C@H](CO)CNC(=O)C1=COCCO1 1121003355 ITFCKCVOBSRZLS-VIFPVBQESA-N 305.294 -0.875 30 20 DBED CN1CCOC[C@@H]1C(=O)NC[C@H](CO)Nc1ccc(C#N)nc1 1121346072 JTVVMJIUGMYMIL-ZIAGYGMSSA-N 319.365 -0.827 30 20 DBED Cc1cc(=N[C@@H](CO)CNC(=O)[C@H]2CCN(C)C2)c(C#N)c[nH]1 1121589601 GSTDMCXNVSUJJO-GXTWGEPZSA-N 317.393 -0.476 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)Cn2ccnc2)cn1 1121717735 IYSSONKLTYJCSF-ZDUSSCGKSA-N 300.322 -0.261 30 20 DBED CC(=O)NC(C)(C)C(=O)NC[C@@H](CO)Nc1ccc(C#N)nc1 1121777941 NVGORTVEXUVGSI-ZDUSSCGKSA-N 319.365 -0.243 30 20 DBED N#Cc1nc(=N[C@H](CO)CNC(=O)[C@@H]2CC23CCC3)cc[nH]1 1122630520 XXDYFWCMPXVEJN-QWRGUYRKSA-N 301.350 -0.151 30 20 DBED C[C@@H]1OCCO[C@@H]1C(=O)NC[C@@H](CO)Nc1ccc(C#N)cn1 1122776489 UKBQCNJKWCQHIS-JKOKRWQUSA-N 320.349 -0.354 30 20 DBED CNC(=O)CC(=O)N1CC[C@H](Nc2ccc(C#N)nn2)[C@H]1C 1122973248 YSHPRANVJFPVEX-KOLCDFICSA-N 302.338 -0.114 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]cc1C#N)C(=O)c1cn(C)nn1 1124295811 MXCPMQKPAIGABS-LLVKDONJSA-N 315.337 -0.951 30 20 DBED COCCN(CCNC(=O)CNC(C)=O)c1ccc(C#N)nc1 1126181128 QJQNDMUUGLRZCA-UHFFFAOYSA-N 319.365 -0.342 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCNCc1nc(CCOC)no1 1126361043 VFCIHYFECCZFPF-CQSZACIVSA-N 312.370 -0.209 30 20 DBED C=C(C)CN(CC)C(=O)CNCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1126936429 HIDXXVFPZQDFSX-VXGBXAGGSA-N 312.370 -0.218 30 20 DBED N#Cc1nccnc1N1CCC(C2(NC(=O)C(N)=O)CC2)CC1 1127140865 QVKZHZHSXNCDOP-UHFFFAOYSA-N 314.349 -0.301 30 20 DBED C=CCNCc1nnc2n1CC[C@H](NC(=O)CNC(N)=O)CC2 1127939502 WZCRYRPENKRENO-SNVBAGLBSA-N 321.385 -0.957 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)Cc1cnccc1OC 1130178052 JICBPPPXXLJANU-GFCCVEGCSA-N 318.377 -0.524 30 20 DBED C=C(C)CN(CC)C(=O)[C@@H](C)NCCNC(=O)c1cnn[nH]1 1130752367 XENVHYYZXHKKLD-LLVKDONJSA-N 308.386 -0.063 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1ccnc2[nH]c(C)nc12 1131597412 CGGKLHPZIBQMGI-UHFFFAOYSA-N 316.365 -0.112 30 20 DBED C#CCNC(=O)CN1C[C@H](NC(=O)Cn2cccn2)CC[C@H]1C 1131788877 YVYAIYJVXVQYQB-ZIAGYGMSSA-N 317.393 -0.398 30 20 DBED C#CCNC(=O)CN1C[C@H](NC(=O)c2cc[nH]n2)CC[C@@H]1C 1131813969 SLSWQZBNYWUAIT-NWDGAFQWSA-N 303.366 -0.258 30 20 DBED C[C@@H]1CC[C@H](NC(=O)Cc2ccon2)CN1CC(=O)NCC#N 1131927585 QAMMQNGQIRFJAJ-YPMHNXCESA-N 319.365 -0.174 30 20 DBED CC(C)C#CC(=O)N[C@H]1CC[C@@H](C)N(CC(=O)NC(N)=O)C1 1132021214 LKXYKTKMTCSAHQ-NEPJUHHUSA-N 308.382 -0.190 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)CNC(N)=O)CC[C@@H]1C 1132637431 JGAXFWMLUWHVKC-QWHCGFSZSA-N 310.398 -0.621 30 20 DBED C=CCOCCNCCNC(=O)[C@H]1CCc2nnnn2CC1 1134098711 HEKIIWOWFCOIAA-LBPRGKRZSA-N 308.386 -0.466 30 20 DBED C[C@@H](C[C@H](C)NC(=O)Cc1cncnc1)NCC(=O)NCC#N 1134228007 LNWZEFDBPCNDEV-RYUDHWBXSA-N 318.381 -0.468 30 20 DBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCNCc1nnnn1C 1135058457 QPGMTCDMUZDOAA-AAEUAGOBSA-N 308.386 -0.213 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)C(=O)NCC1CC1 1135911158 WTMUDMZDIQNEGD-UHFFFAOYSA-N 322.409 -0.581 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)[C@]1(F)CCOC1)C2 1148137946 JOAURVVKQFTAMS-INIZCTEOSA-N 323.368 -0.601 30 20 DBED N#CCNC(=O)CN1CCCO[C@H](CNC(=O)c2ccco2)C1 1149058237 HURLLUNPZMULEO-GFCCVEGCSA-N 320.349 -0.260 30 20 DBED COCC#CCN1CCCO[C@H](CNC(=O)CN2CCCC2)C1 1150715429 LEXLLHYGFJMBDU-MRXNPFEDSA-N 323.437 -0.061 30 20 DBED C=CCO[C@@H](C)C(=O)NC[C@@H]1CN(CC(=O)NC)CCCO1 1150810739 HTHJROCBTWXUNN-QWHCGFSZSA-N 313.398 -0.469 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)Cc1ccc[nH]1 1151781831 NYFFFHXERVOTLP-LLVKDONJSA-N 321.381 -0.337 30 20 DBED C#CCCN(CC)[C@H](C)CNC(=O)[C@@H](C)NS(C)(=O)=O 1155451888 RYSHCRQAPKQYGZ-VXGBXAGGSA-N 303.428 -0.226 30 20 DBED C=CCOCC(=O)NCCCNCC(=O)N1CCO[C@H](C)C1 1155712530 NQTGSHRPMWZQGP-CYBMUJFWSA-N 313.398 -0.468 30 20 DBED COCC#CCNCCCNC(=O)CNC(=O)N1CCCC1 1157863687 OTSTZUSJDGNQIQ-UHFFFAOYSA-N 310.398 -0.463 30 20 DBED Cc1cc(OCC(=O)NCCCNCC(=O)NCC#N)no1 1160359271 HKPVNIGRCFJECG-UHFFFAOYSA-N 309.326 -0.903 30 20 DBED C=C(Br)CNCCCNC(=O)[C@H]1CNC(=O)N1 1165468735 SRTCEBQIWGQGBX-MRVPVSSYSA-N 305.176 -0.328 30 20 DBED N#CCNC(=O)CNCCCNC(=O)c1ccc(C(N)=O)s1 1168295548 FTAAAKRWFREWDM-UHFFFAOYSA-N 323.378 -0.804 30 20 DBED C=CCN1CC[C@H](NCCCC[C@@H](C)NC(=O)CC(N)=O)C1=O 1169936564 DHCAFKVIMNFUIC-OLZOCXBDSA-N 324.425 -0.087 30 20 DBED C#CCOc1ncccc1C(=O)NCCCN[C@H]1CCNC1=O 1171548728 CMTIXQLFAFVJEQ-ZDUSSCGKSA-N 316.361 -0.308 30 20 DBED C[C@H](C[C@H]1CCCO1)C(=O)NCCCNCC(=O)NCC#N 1177229629 KWKANWCRNALMJJ-CHWSQXEVSA-N 310.398 -0.073 30 20 DBED COCC#CCNCCCCCCNC(=O)[C@H]1CNC(=O)N1 1179414546 DXIVWFLCODJZSF-CYBMUJFWSA-N 310.398 -0.416 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@@H](NCc2ncnn2CCF)C1 1182504606 GZJANHIDXLLBEK-CHWSQXEVSA-N 323.372 -0.024 30 20 DBED N#CCNC[C@@H]1CN(C(=O)CNC(N)=O)CC12CCOCC2 1186245292 IYUJAYLKSDRMAD-LLVKDONJSA-N 309.370 -0.977 30 20 DBED C=C(C)CN(CC)C(=O)CN1C[C@@H](O)[C@H](NC(=O)C2CC2)C1 1190580817 MOVHTIHLASPJGJ-ZIAGYGMSSA-N 309.410 -0.018 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@H]1CCN(C(=O)c2cnn[nH]2)C1 1191120508 VLCIYCGBPLHOOQ-MNOVXSKESA-N 304.354 -0.911 30 20 DBED C#CCCCCC(=O)N[C@@H]1CN(Cc2nnnn2C)C[C@H]1O 1192288251 HRWBZLRKOADJHZ-VXGBXAGGSA-N 306.370 -0.935 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2coc(CC)n2)C1 1192405647 ZGSGTKSSCXCICR-ZYHUDNBSSA-N 322.365 -0.686 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)CCc2cc(OC)no2)C1 1193353780 LQMLLZQFBIKXCP-CHWSQXEVSA-N 307.350 -0.200 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCCN(C(=O)c2ccon2)CC1 1195035589 QOVKYEBKRZBBAJ-GFCCVEGCSA-N 304.350 -0.040 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)[C@H]2CCCOC2)CC1 1199697818 FUOLLCAROGYERR-ZDUSSCGKSA-N 307.394 -0.257 30 20 DBED C[C@@H](C(=O)N1CCCO[C@@H](CNCC#N)C1)S(C)(=O)=O 1200816305 ZUZNKWJAISVJPD-QWRGUYRKSA-N 303.384 -0.850 30 20 DBED C#CCN[C@H]1C[C@H]2CC[C@H]1N(C(=O)CN(C)C(=O)COC)C2 1204407876 JYNJUKYGFUOATQ-HZSPNIEDSA-N 307.394 -0.307 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)c2cc[n+]([O-])cc2)[C@H](C)C1 1205823130 UCYMRBLRGUTYID-TZMCWYRMSA-N 318.377 -0.328 30 20 DBED Cn1cnnc1COCC(=O)N1CCC(CNCC#N)CC1 1206743392 WELMSJKEIOGUON-UHFFFAOYSA-N 306.370 -0.317 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)c2cn(C)cn2)C1 1207808235 WJKHUJZAYINCGL-LBPRGKRZSA-N 305.382 -0.084 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)[C@H](OC)C2CC2)C1 1207935832 XBIIONJPLVAMNJ-DZGCQCFKSA-N 307.394 -0.259 30 20 DBED Cc1nccc(C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@H]2C)n1 1211066727 RYGWVVFRWMMIDG-ZWNOBZJWSA-N 316.365 -0.525 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(Cc2cncn2C)C[C@H]1OC 1212030138 UQZQXOPLZGYLRU-ZIAGYGMSSA-N 308.382 -0.062 30 20 DBED C=CCN1C[C@@H](NC(=O)[C@@H](C)CN2CCOCC2)[C@H](OC)C1 1213863151 FQVRFGMZHACBTN-RRFJBIMHSA-N 311.426 -0.044 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@@]2(C)CNC(=O)C2)C[C@H]1C 1215202006 JLKOJBRRGDFODR-XHBSWPGZSA-N 322.409 -0.749 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)c2ccnnc2)C[C@H]1C 1215655727 SNEPSHWQIVWFLG-DGCLKSJQSA-N 303.366 -0.171 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)COCCN(C)C)C[C@H]1C 1216402343 ZZFCAMMNYKGTHV-HUUCEWRRSA-N 311.426 -0.349 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H]2[C@@H](C1)OCCN2C(=O)CCC 1217190565 ITLNCZHOMZKQLJ-HZSPNIEDSA-N 307.394 -0.164 30 20 DBED N#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2cccs2)C1 1219118480 MEMCCSITDPYZIS-ZJUUUORDSA-N 308.363 -0.837 30 20 DBED COc1nscc1CN1C[C@H](O)[C@H](NC(=O)[C@@H](C)C#N)C1 1219381673 ZKUWFVRSGLDTHE-GDPRMGEGSA-N 310.379 -0.027 30 20 DBED C#CCCCCC(=O)N[C@@H]1CN([C@@H](C)C(=O)N(C)C)C[C@@H]1O 1219490785 YVDIPYJJJQMWOW-MJBXVCDLSA-N 309.410 -0.182 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)Cc2ccoc2)C1 1219503568 BUVVPIBYZUVXTI-OLZOCXBDSA-N 307.350 -0.714 30 20 DBED CCCC[C@H](C)C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@@H]1O 1219561041 YATLFETXIKUDOU-XQQFMLRXSA-N 310.398 -0.386 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CN(CCOC[C@H]2CCCO2)C[C@@H]1O 1219594875 ZBQLSZXNMLKODW-OAGGEKHMSA-N 322.405 -0.243 30 20 DBED CCN(C)C(=O)CN1C[C@H](O)[C@H](NC(=O)C#CC(C)(C)C)C1 1219596117 GMIJOHVNPXBTMK-OLZOCXBDSA-N 309.410 -0.325 30 20 DBED CC(C)C[C@@H](C)C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@@H]1O 1220626453 JRIWWRXXBLXSGK-UPJWGTAASA-N 310.398 -0.530 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)CNC(=O)c2cscn2)C1 1220699655 IGWNDGKYLXEGGZ-PWSUYJOCSA-N 324.406 -0.390 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1CCN(Cc2nc(O)n[nH]2)CC1 1223182906 OLAABSCWMZGEGX-NSHDSACASA-N 321.381 -0.123 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C[C@@H]1CCN1CCN1CCNC1=O 1234265672 KOOGVNXEANWCTP-KGLIPLIRSA-N 322.409 -0.417 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)c1cncnc1O 1235651289 HCFZWXGJZMHGCW-NSHDSACASA-N 317.349 -0.922 30 20 DBED CN(CC(=O)N[C@]1(C#N)CCSC1)[C@@H]1CCS(=O)(=O)C1 1255868454 UIXFZAFGJGUXBK-PWSUYJOCSA-N 317.436 -0.379 30 20 DBED N#CCNC(=O)CNC(=O)N[C@H]1CCO[C@]2(CCSC2)C1 1261100126 JHQAORQUGYHULL-GXFFZTMASA-N 312.395 -0.020 30 20 DBED C=CCCCNC(=O)C(=O)NC[C@H]1CC[C@@H](C(=O)N(C)C)O1 1261136834 RKBYOCLKPJUOAC-NEPJUHHUSA-N 311.382 -0.179 30 20 DBED N#C[C@]1(F)CCN(C(=O)C(=O)N2CCC[C@@H]2C2OCCO2)C1 1262537860 QISFADNNJNPFIB-QMTHXVAHSA-N 311.313 -0.186 30 20 DBED C#CCOCCNC(=O)C(=O)N[C@@H](C)c1nnc2n1CCC2 1321476083 IVGCMBQGWNIQHB-JTQLQIEISA-N 305.338 -0.833 30 20 DBED C=CCCOCCNC(=O)C(=O)N[C@H]1CC(=O)N(C(C)C)C1 1322244787 ISUSGQXFQNQACQ-LBPRGKRZSA-N 311.382 -0.179 30 20 DBED CCNC(=O)C(C)(C)CNC(=O)C(=O)N1CC[C@](F)(C#N)C1 1325360736 BWDSAZZBLKLFHP-AWEZNQCLSA-N 312.345 -0.271 30 20 DBED CC#CCCNC(=O)C(=O)N[C@@H]1CCOC[C@@H]1OCCOC 1327050734 HLVRYHRDYIRBHH-OLZOCXBDSA-N 312.366 -0.547 30 20 DBED N#Cc1ccc(NC(=O)C(=O)NCCN2CCCC2=O)nc1 1328728871 VNBIJLYJBIZXFH-UHFFFAOYSA-N 301.306 -0.370 30 20 DBED C#CCSCCNC(=O)C(=O)N[C@@H]1C[C@@H](OCC)[C@@H]1OC 1329182541 KOBNCFSHXSPIDY-IJLUTSLNSA-N 314.407 -0.222 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H]2CO)CCN1C1CC1 1329272460 IGKSYOOHKCTEFN-OLZOCXBDSA-N 306.366 -0.832 30 20 DBED O=S1(=O)CC[C@H](NN=Cc2cn(C[C@@H]3CCCO3)nn2)C1 1329730775 HZGWIWWRYGDKND-JQWIXIFHSA-N 313.383 -0.432 30 20 DBED C#CCNC(=O)C1CCN(c2nnnn2CCOCC#C)CC1 1335758037 SIICZZDHDXWOMS-UHFFFAOYSA-N 316.365 -0.711 30 20 DBED C#CCN1CCN(c2nnc([C@@H]3CCC(=O)NC3)n2C)CC1 1341489292 PSSGZHYOMHSXRI-GFCCVEGCSA-N 302.382 -0.436 30 20 DBED CC(C)(CNC(=O)C(=O)N1CCO[C@@H](C#N)C1)CN1CCCC1 1342713575 MNGGLNOTLILSFH-ZDUSSCGKSA-N 322.409 -0.024 30 20 DBED N#C[C@H](C(=O)c1nccs1)C(=O)N1CCS(=O)(=O)CC1 1343471499 WTNMVRORUQVKGS-MRVPVSSYSA-N 313.360 -0.277 30 20 DBED Cc1cc(NC(=O)CN2CC(=O)N(C)C2=O)n(CCC#N)n1 1349101871 ANZGZZAFGBSWIO-UHFFFAOYSA-N 304.310 -0.062 30 20 DBED N#Cc1cn(CCNC(=O)C[C@@H]2CCCCO2)c(=O)nc1O 1363130313 VXWDKABFHVIWSQ-NSHDSACASA-N 306.322 -0.104 30 20 DBED CCCS(=O)(=O)CC(=O)N1CC[C@H](NC(=O)[C@H](C)C#N)C1 1386061547 JWYOHLGOSSRATF-MNOVXSKESA-N 315.395 -0.312 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)[C@@H]2CCS(=O)(=O)C2)CC1 1393819047 QEYSGDLKFGCQII-VHSXEESVSA-N 313.379 -0.654 30 20 DBED C[C@H](CNC(=O)[C@@H]1CN(C)CCO1)NC(=O)c1cc(C#N)c[nH]1 1397405281 XTNTZPWTYBVWRO-MFKMUULPSA-N 319.365 -0.549 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C(=O)c1nccnc1N)C1CC1 1398364056 HQDIFDWIOOLPHA-VIFPVBQESA-N 302.338 -0.061 30 20 DBED CCC(=O)NCC(=O)N(CC)CCNC(=O)c1cc(C#N)c[nH]1 1408729642 MLNXVEQSLOGBBU-UHFFFAOYSA-N 319.365 -0.009 30 20 DBED CC(C)c1nnnn1CC(=O)N1CC(NC(=O)[C@@H](C)C#N)C1 1409101461 QCYYPISAQJPEBL-VIFPVBQESA-N 305.342 -0.717 30 20 DBED C[C@H](C(=O)NCCn1cc(C#N)c(O)nc1=O)n1cccc1 1413313301 WBKUGBDNYZOPJX-SNVBAGLBSA-N 301.306 -0.001 30 20 DBED N#Cc1cn(CC(=O)N2CCc3ncncc3C2)c(=O)nc1O 1413469307 PYROREWWHLXIJS-UHFFFAOYSA-N 312.289 -0.805 30 20 DBED COCCN(CCNC(=O)c1nnn(C)c1C)C(=O)[C@@H](C)C#N 1426054116 RLSSKSZFDWGVLC-JTQLQIEISA-N 322.369 -0.512 30 20 DBED CC(=O)NCC(=O)N1CCC[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 1429724495 ZLNDGQKZQQOZHI-LBPRGKRZSA-N 317.349 -0.257 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1c[nH]nc1C1CC1 1431571965 OXCUJEVEZQHPQW-WCBMZHEXSA-N 305.338 -0.346 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@](C)(NC(=O)c1c[nH]c(=O)cn1)C1CC1 1432891935 ZUUTZIFANPCSFK-BJOHPYRUSA-N 317.349 -0.056 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)c2cccc(-n3[nH]nnc3=N)c2)C1 1434124740 YUSMMEDXWXJASM-CQSZACIVSA-N 313.321 -0.434 30 20 DBED CCS(=O)(=O)NCC(=O)N(C)CCN(C)C(=O)[C@@H](C)C#N 1457799768 UVMMBVGHRYDNJC-JTQLQIEISA-N 318.399 -0.998 30 20 DBED CC[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)N1CCO[C@H](C#N)C1 1464513364 QMXPJQOGDFHQAV-GARJFASQSA-N 318.399 -0.652 30 20 DBED N#Cc1ncn(CCNC(=O)N2CC[C@H](C3OCCO3)C2)n1 1478604237 YCXNMKOPYWIFIJ-JTQLQIEISA-N 306.326 -0.446 30 20 DBED C[C@@H](C#N)C(=O)NC1CN([C@H](C)C(=O)NC(=O)NC(C)(C)C)C1 1481551334 WQZXHOGPTPBDJT-VHSXEESVSA-N 323.397 -0.041 30 20 DBED CN(C[C@H](O)CN(CC#N)Cc1cnn[nH]1)CC(F)(F)F 1576764576 NGLOGWUMTQQIOW-JTQLQIEISA-N 306.292 -0.015 30 20 DBED N#CCC1(O)CN(c2ncc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 1581858176 UAASLKFUGJWLDU-UHFFFAOYSA-N 302.254 -0.365 30 20 DBED C#C[C@H]1CCCCN1C(=O)NCCn1cnc(-c2nn[nH]n2)n1 1588332606 NSUIFMNCEWGIBD-JTQLQIEISA-N 315.341 -0.345 30 20 DBED C#CCNC(=O)CN1CCCN(c2cncc(C(=O)O)n2)CC1 1588483607 DELMNNRQVVWSCR-UHFFFAOYSA-N 317.349 -0.564 30 20 DBED CNC(=O)[C@@]1(C)CCN(c2cnc(C#N)c(-c3nn[nH]n3)n2)C1 1591201248 CBJKWYBVTFTXMG-ZDUSSCGKSA-N 313.325 -0.509 30 20 DBED N#CCNC(=O)CNC(=O)c1cc(F)c(-c2nn[nH]n2)c(F)c1 1592677289 AWQSIJGHBALALK-UHFFFAOYSA-N 321.247 -0.486 30 20 DBED N#CC1(CC(=O)N2CCNC(=O)[C@@H]2CC(=O)O)CCOCC1 1601053601 LGHNMQXVIKFWFD-JTQLQIEISA-N 309.322 -0.501 30 20 DBED N#Cc1cc(CS(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)O)cs1 1601087541 WXTPIBGMVJLRPX-SCZZXKLOSA-N 316.360 -0.031 30 20 DBED N#Cc1ccc(C(=O)NC2(C(=O)O)CCS(=O)(=O)CC2)[nH]1 1601093918 JBVWXKSOIXIQEL-UHFFFAOYSA-N 311.319 -0.352 30 20 DBED N#Cc1ccc(NCC(=O)N2CCC[C@@H](O)[C@H]2C(=O)O)nc1 1601108320 MEOGBFAKMZOGKT-MFKMUULPSA-N 304.306 -0.198 30 20 DBED C[C@@H]1CCCCN1C(=O)Cn1c(N)nc(-c2nn[nH]n2)c1C#N 1603896495 VRJHJSWQJNYHBB-MRVPVSSYSA-N 315.341 -0.082 30 20 DBED CCC[C@H](O)[C@H](CO)Nc1cnc(-c2nn[nH]n2)c(C#N)n1 1604143911 DVVZHDCKMZJREN-IUCAKERBSA-N 304.314 -0.538 30 20 DBED N#Cc1cccc(-c2nn[nH]n2)c1N1CCN2C(=O)NC[C@@H]2C1 1609499769 IXXRTSFKJYVKNX-SNVBAGLBSA-N 310.321 -0.048 30 20 DBED CCN(CCC#N)C(=O)CN1CCC(C(=O)NCCO)CC1 1647369695 WCLUNSJCFQKVIZ-UHFFFAOYSA-N 310.398 -0.431 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1C[C@H](NC(=O)c2coc(OC)n2)C1 1752653280 XODJAPSQRGPCAA-GMTAPVOTSA-N 320.349 -0.329 30 20 DBED C=CCCO[C@@H](C)C(=O)NCCN(C)[C@@H]1CCC(=O)NC1=O 1753044785 FOTBKYNFOFUBJB-NWDGAFQWSA-N 311.382 -0.179 30 20 DBED C#CCN1CC[C@@H](CCNC(=O)[C@H](CCC)S(N)(=O)=O)C1 1753329469 BLUCLSVAPMMTOB-OLZOCXBDSA-N 315.439 -0.095 30 20 DBED C=CCNC(=O)CN(C)CCN(C)C(=O)c1cc(OC)ncn1 1753852864 CMYFOHVRUNCZSD-UHFFFAOYSA-N 321.381 -0.209 30 20 DBED C=CCN1CC[C@H](NC[C@@H](O)CNC(=O)Cc2ccco2)C1=O 1753930499 ITLJQWPPUVQHTE-OCCSQVGLSA-N 321.377 -0.324 30 20 DBED C#CCNC(=O)CNC/C=C\CNC(=O)c1cc(OC)ccn1 1754167474 QFONGOURTCLXNM-PLNGDYQASA-N 316.361 -0.285 30 20 DBED C[C@H](CN(C)CC(=O)NCC#N)NC(=O)c1ccc(C#N)[nH]1 1754305979 UWGAHDQVBNHEBQ-SNVBAGLBSA-N 302.338 -0.424 30 20 DBED C[C@@H](CN(C)CC(=O)NCC#N)NC(=O)C1CCN(C)CC1 1754322636 HFMKODYZEYGOGD-LBPRGKRZSA-N 309.414 -0.596 30 20 DBED N#CCNC(=O)CNC[C@@H](NC(=O)c1ccncn1)C1CC1 1754454145 BSEVDJGTWFYHGQ-GFCCVEGCSA-N 302.338 -0.786 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC[C@H]1CNC(=O)c1cnn(CC)n1 1754483861 PZZDTHPKNWUPRA-NEPJUHHUSA-N 320.397 -0.207 30 20 DBED C#CCNC(=O)CN1CC[C@](C)(NC(=O)c2cccnn2)C1 1754681349 FPXNQNSEOGYUJQ-HNNXBMFYSA-N 301.350 -0.580 30 20 DBED C#Cc1ccc(C(=O)NC[C@]2(O)CCN(CCOC)C2)cn1 1754758884 FIKOBGUZTHYCGY-MRXNPFEDSA-N 303.362 -0.124 30 20 DBED C#CCNC(=O)CN1CC(O)(CNC(=O)C2CCCCC2)C1 1754764053 NWDFFWHLDNSWJV-UHFFFAOYSA-N 307.394 -0.521 30 20 DBED C#CCCNCCN(CCO)C(=O)[C@@]1(C)CCCS1(=O)=O 1754894082 SNSGSPXVCIAVNT-CQSZACIVSA-N 316.423 -0.613 30 20 DBED C=CCCNCCN(CCO)C(=O)[C@@H]1CCCS1(=O)=O 1754897662 BQMDUDDCLOQPDP-LBPRGKRZSA-N 304.412 -0.450 30 20 DBED C#CCNC(=O)CN1CCC[C@H](NC(=O)[C@@H](C)OCC#C)CC1 1755023478 ITBJMWWWWBBCLY-CABCVRRESA-N 319.405 -0.255 30 20 DBED C=C[C@@](C)(O)CC(=O)NC1(CCO)CN(Cc2nonc2C)C1 1755331432 KROLPVJYUHLJPL-CQSZACIVSA-N 324.381 -0.242 30 20 DBED C#CCN1CCC(C(=O)N[C@H]2C[C@H](CN[C@H](C)C(N)=O)C2)CC1 1755483316 KNCSTAQYVWMTGO-UMVBOHGHSA-N 320.437 -0.310 30 20 DBED CN(CC#N)C[C@H](O)CN(C)C(=O)c1cnn2ncccc12 1755801710 HQSLAKYAGMCBOI-NSHDSACASA-N 302.338 -0.382 30 20 DBED C=CCCC(=O)NCC1[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@@H]12 1756191930 GDUHLDQKROFSOQ-URBCHYCLSA-N 305.378 -0.105 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H](C1CC1)N(C)C(=O)C(N)=O 1756420625 HBQOADDMHKPDLM-XQQFMLRXSA-N 323.393 -0.194 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)/C(C)=C\C 1756529700 GIRIZDLQGWXGTF-QZYAKGMDSA-N 307.394 -0.357 30 20 DBED COc1nc(C(=O)N(C)C[C@H](O)CNC(=O)C#CC(C)C)co1 1756670798 MLJIAMGZFWCZRE-LLVKDONJSA-N 323.349 -0.108 30 20 DBED C=CCCCC(=O)N[C@@H]1CN(C(=O)c2cnc(O)n2C)C[C@H]1O 1757028530 ICRWTBHUXKDBBG-ZYHUDNBSSA-N 322.365 -0.217 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N1C[C@H]2COC[C@@]2(C(=O)O)C1 1776215335 JXLWQPVNMJHYLM-SCVCMEIPSA-N 317.367 -0.644 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)NC[C@]1(C(=O)O)CCOC1 1776398542 MZQKEQMLSBAZFZ-MWLCHTKSSA-N 305.356 -0.454 30 20 DBED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCCNC)C[C@@H]21 1790790608 QVPCMYVNBGBDOM-IHRRRGAJSA-N 307.394 -0.401 30 20 DBED N#CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CC(=O)C1)C2 1795084671 MRYRDBDZNCQHMH-GNXNZQSNSA-N 305.334 -0.531 30 20 DBED COCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)S 1800984369 SGVGXLCDMKXXMR-MWGHHZFTSA-N 302.396 -0.459 30 20 DBED C=CCC(=O)N1CC[C@H](CNC(=O)C(O)O)[C@@H]1c1cccnc1 1802923538 ALLQWBIXDVGCDE-OCCSQVGLSA-N 319.361 -0.026 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)[C@H](C)NC=O)C2 1841601861 FXWHOEXWFOYYPD-STQMWFEESA-N 321.377 -0.637 30 20 DBED N#CCCC(=O)N1CCCC12CN(C(=O)C1=NNC(=O)C1)C2 1842813480 QRLGOICJCOJQNY-UHFFFAOYSA-N 303.322 -0.631 30 20 DBED Cn1c(NC[C@@H](O)CN2CCCCC2)c(C#N)c(=O)n(C)c1=O 52131473 TWACVIDLCYZLMM-LLVKDONJSA-N 321.381 -0.786 30 20 DBED CCN(C[C@H](C)C#N)C(=O)CN(CC(=O)OC)CC(=O)OC 67380385 QJJIJSDRZSWFMB-LLVKDONJSA-N 313.354 -0.357 30 20 DBED C#CCN1CCN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)CC1 78268867 UPDFJDMBEJZVCB-UHFFFAOYSA-N 310.379 -0.937 30 20 DBED CN(C)C(=O)CN/C(=N/C1CC1)N1CCN2C(=O)CC[C@@H]2C1 262326157 UAALHFAKMWESGL-GFCCVEGCSA-N 307.398 -0.511 30 20 DBED C#CCOc1ccc(C(=O)N2CCN(S(N)(=O)=O)CC2)cc1 265924340 CZGLMLRKXCYUOH-UHFFFAOYSA-N 323.374 -0.340 30 20 DBED C#CCOc1cc(F)ccc1NC(=O)C(=O)NC[C@@H](O)COC 266538386 DGAMLUBSQOLXCP-LLVKDONJSA-N 324.308 -0.100 30 20 DBED C#CCSCCNC(=O)CN1CCN(S(C)(=O)=O)CC1 268363848 QHNQBWVSFOWYJG-UHFFFAOYSA-N 319.452 -0.954 30 20 DBED N#Cc1ccc2c(c1)N(C(=O)C(=O)NCC(=O)NC1CC1)CC2 270150841 GDNZBISXRUJPDL-UHFFFAOYSA-N 312.329 -0.158 30 20 DBED C=CCN(CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1)C1CC1 271368525 GMLGPFVDIPWZDI-JTQLQIEISA-N 315.395 -0.350 30 20 DBED CN1CCN(C(=O)C(=O)Nc2ccc(C#N)c(F)c2)CC1=O 290884492 UHSUXUDCRVNJPE-UHFFFAOYSA-N 304.281 -0.064 30 20 DBED COC(=O)[C@@H](NS(=O)(=O)c1ccc(C#N)c(F)c1)[C@@H](C)O 291600757 AAIJYRHXDZLVNC-HQJQHLMTSA-N 316.310 -0.102 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1CCN(C(=O)NCC)CC1 298166034 MGDUVJAFGHJYJF-NSHDSACASA-N 311.386 -0.266 30 20 DBED Cc1nc(N=C(O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)nn1C 329115048 SPLSJWHTVAWYQS-HZQMYPQZSA-N 319.321 -0.126 30 20 DBED C[C@@H]1C(O)=NCCN1/C(O)=N/[C@H]1CCCN(S(C)(=O)=O)C1 329165838 HPKHMIDGQFYGLS-ZJUUUORDSA-N 318.399 -0.015 30 20 DBED CN(C[C@@H]1CCCC[C@H]1O)/C(O)=N/CCNS(C)(=O)=O 330706363 LUIDKUXBPMSYMZ-WDEREUQCSA-N 307.416 -0.068 30 20 DBED C[C@H](O)C(=O)N1CCN(S(=O)(=O)CC2(C#N)CC2)CC1 331917792 FDNAERBFWFNORZ-JTQLQIEISA-N 301.368 -0.855 30 20 DBED C[C@H](NS(=O)(=O)N1CCO[C@@H](C#N)C1)C1CCOCC1 336932427 CKRAHMFGYCIBPK-JQWIXIFHSA-N 303.384 -0.140 30 20 DBED CC(C)N1C[C@@H](NS(=O)(=O)N(C)C[C@@H](C)C#N)CC1=O 337039690 AANXWYBPQWCFNH-QWRGUYRKSA-N 302.400 -0.078 30 20 DBED N#C[C@H]1CSCCN1C(=O)C1CCN(S(N)(=O)=O)CC1 342213826 IMDWYOYXNODEIR-JTQLQIEISA-N 318.424 -0.631 30 20 DBED COc1ccc(NC(=O)C(=O)N(CCC#N)CC2CC2)nn1 342315604 BWCCRSHNSRAWKC-UHFFFAOYSA-N 303.322 0.576 30 20 DBED C[C@@H]1CN(S(=O)(=O)N(C)CCC#N)CCN1S(C)(=O)=O 345224895 MAAXAOZWXKKKQB-SNVBAGLBSA-N 324.428 -0.958 30 20 DBED CC(=O)N1CCN(C(=O)CCNC(=O)NCC(C)(C)C#N)CC1 353531462 ACBAISWWVNXDAJ-UHFFFAOYSA-N 323.397 -0.084 30 20 DBED C=CCNC(=O)NC(=O)CN1CCOC[C@@H]1c1noc(C)n1 369429788 WYJRAYMFECIBMI-SNVBAGLBSA-N 309.326 -0.237 30 20 DBED CCN1C(=O)[C@H]2CN(S(=O)(=O)CCCC#N)CCN2C1=O 371200568 OWTTYXZSVIWNAW-SNVBAGLBSA-N 314.367 -0.412 30 20 DBED N#CCC1(O)CN(C(=O)[C@H]2CC[C@@H](C(F)(F)F)NC2=O)C1 372710544 DDNBTYHEAWTFOZ-YUMQZZPRSA-N 305.256 -0.070 30 20 DBED N#CC1(CCCN2CCN3C(=O)C(=O)NC[C@@H]3C2)CCOCC1 407954038 DKCCORHYFMVKBK-CYBMUJFWSA-N 320.393 -0.270 30 20 DBED C[C@H](CN)NC(=O)C(=O)N1CCN(c2ccccc2C#N)CC1 420016075 RSHIWYFDDMSNRP-GFCCVEGCSA-N 315.377 -0.330 30 20 DBED C=CCOC[C@@H](NC(=O)[C@@H]1COCCN1CC)C(=O)OC 435947472 FFWMINMMYRYGLL-NEPJUHHUSA-N 300.355 -0.433 30 20 DBED C#CCNC(=O)CN1CCN(CC(=O)Nc2cc(C)no2)CC1 491072986 WTITZNRNPGEGQD-UHFFFAOYSA-N 319.365 -0.711 30 20 DBED CN(CCC#N)C[C@H](O)CN[C@@H]1CCN(CC(F)(F)F)C1=O 564856135 JDMQRNGUTIWRJD-GHMZBOCLSA-N 322.331 -0.054 30 20 DBED N#CCC1(CS(=O)(=O)N2CC3(C2)CS(=O)(=O)C3)CC1 603370402 MJQJRIPGRSUUKV-UHFFFAOYSA-N 304.393 -0.260 30 20 DBED COCCN1C[C@@H](C(=O)NC2CCN(CC#N)CC2)CC1=O 609328859 PQBFSPBDGRGNBB-LBPRGKRZSA-N 308.382 -0.415 30 20 DBED COC(=O)[C@@H]1C[C@H](F)CN1S(=O)(=O)N(C)C[C@H](C)C#N 619714515 DDRDWMAIXSKIPR-UTLUCORTSA-N 307.347 -0.092 30 20 DBED C=C[C@@H]1OCCC[C@H]1NC(=O)N1CC(NS(C)(=O)=O)C1 637194766 NDMBUYRYZJZIQN-MNOVXSKESA-N 303.384 -0.337 30 20 DBED C[C@@H](C(=O)OCC(=O)NCC#N)N1C(=O)[C@H]2CCCC[C@H]2C1=O 731238561 BQRKPRSYVSUVFI-GARJFASQSA-N 321.333 -0.267 30 20 DBED CNC(=O)CNC(=S)NN=Cc1ccc(OCC(=O)O)cc1 731927458 IKQSPRLUPPXWJZ-UHFFFAOYSA-N 324.362 -0.306 30 20 DBED COC(=O)c1ccc(S(=O)(=O)N(CC#N)CC(=O)O)o1 737700658 ROICWMIHAPDRTI-UHFFFAOYSA-N 302.264 -0.335 30 20 DBED COC[C@@H](NS(=O)(=O)c1ccc(C#N)c(Cl)c1)C(N)=O 758484385 NIRZJYUQHGDXGB-SNVBAGLBSA-N 317.754 -0.010 30 20 DBED COC(=O)[C@H](C)n1cccc1C=NNC(=S)NCC(N)=O 774586614 IEXCGEOEXKTKCF-QMMMGPOBSA-N 311.367 -0.495 30 20 DBED C=CCS(=O)(=O)CCNC(=O)[C@@H](C)CN1CCOCC1 783618082 LEXCMAVFJQYYPV-LBPRGKRZSA-N 304.412 -0.328 30 20 DBED N#Cc1c(N2CCC(NCCO)CC2)cccc1S(N)(=O)=O 811824215 NINTYSOFMHTLCH-UHFFFAOYSA-N 324.406 -0.244 30 20 DBED CC1(C)NC(=O)N(CCOC(=O)[C@@](C)(C#N)CC(=O)O)C1=O 819866566 YNQJLGJJVDUDLP-CYBMUJFWSA-N 311.294 -0.135 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CC(C)=NO2)CC1 826550535 UCIHHOUTHWAIQV-ZDUSSCGKSA-N 306.366 -0.565 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)NC[C@H]1CC(=O)N(CC)C1 829757521 QXOXKRRDBODJNG-CYBMUJFWSA-N 323.393 -0.531 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(NC(=O)[C@@H](C)OCC#C)CC1 831237378 SUPKAVCMPZPXDP-QWHCGFSZSA-N 306.362 -0.172 30 20 DBED N#Cc1ccc(N2CCN(C(=O)[C@@]3(O)CCOC3)CC2)cn1 832036490 QMPCCKGTGFSUFH-OAHLLOKOSA-N 302.334 -0.247 30 20 DBED C[C@H](CN)CNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 834340788 DHJSLSCQJHAFQU-SECBINFHSA-N 310.379 -0.564 30 20 DBED Cc1ccc(S(N)(=O)=O)cc1C(=O)N[C@H]1CNC[C@@H]1C#N 834499084 FCMUBJHMVFQRPU-CABZTGNLSA-N 308.363 -0.516 30 20 DBED CCOC(=O)C1=C(Cn2cnc(C#N)cc2=O)NC(=O)N[C@H]1C 842651675 SRXTVRJJEVSEKS-QMMMGPOBSA-N 317.305 -0.367 30 20 DBED C#CCN1CCC[C@H]1C(=O)Nc1ccc(=O)n(CC(N)=O)c1 846392604 IOIZMVPJQKTYJT-LBPRGKRZSA-N 302.334 -0.630 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N[C@H]1CCN(C2CC2)C1 875133642 MRETXAFWSSQKDW-OLZOCXBDSA-N 307.394 -0.116 30 20 DBED C=C[C@@H](C)ONC(=O)N1CCCN(C(=O)CNC(C)=O)CC1 875698828 BCSTWQSLCRTTLX-LLVKDONJSA-N 312.370 -0.128 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)NCCCC=C)CC1 894512444 YDQNQTWZEBCVAP-UHFFFAOYSA-N 314.411 -0.253 30 20 DBED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)NCCN1CCNC1=O 898046962 ZGPHFISPCPIXED-VXGBXAGGSA-N 324.381 -0.775 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](NC(=O)c2cnc3n2CCOC3)C1 941265081 AINBLYNOMPDSCY-GHMZBOCLSA-N 317.349 -0.096 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2nnc(O)nc2O)[C@H](C)C1 942285534 DJAYCRGRLUVGTH-NXEZZACHSA-N 305.338 -0.254 30 20 DBED O=C1NC[C@H](C(=O)N[C@H]2CCCCN(C(=O)C#CC3CC3)C2)N1 943488533 RSXTWYIMYHXOOJ-QWHCGFSZSA-N 318.377 -0.422 30 20 DBED O=C(Cn1cncn1)NC1CCN(C(=O)C#CC2CC2)CC1 946696530 SJLVRMWKUWXANH-UHFFFAOYSA-N 301.350 -0.201 30 20 DBED CC#CCN1CC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C[C@H]1C 947323259 JGFVIQQZZTZGRQ-VXGBXAGGSA-N 318.381 -0.631 30 20 DBED C=CCCN1CC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C[C@H]1C 947323832 NEEQJFVKSZQXQK-VXGBXAGGSA-N 320.397 -0.078 30 20 DBED N#Cc1ccc(C(=O)NC[C@H]2CCN2C(=O)[C@H]2CCNC2=O)[nH]1 949448370 BOHDBZUEVJCLLR-MNOVXSKESA-N 315.333 -0.647 30 20 DBED CC#CCN1C[C@H](O)[C@H](CNC(=O)c2c(C)nnn2CC)C1 958131279 RBYZTBPNQRFENN-OLZOCXBDSA-N 305.382 -0.348 30 20 DBED Cn1nnnc1CN1C[C@@H]2C(NC(=O)c3ccc(C#N)[nH]3)[C@H]2C1 958599132 PXBKJBKHTGBQTL-UWVGGRQHSA-N 312.337 -0.730 30 20 DBED CN(C(=O)C[C@@H]1CCCO1)[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 958636512 DHAPXJKFYKMDFN-KKUMJFAQSA-N 320.389 -0.001 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cc2cccnc2)C1 958824089 IIRONYOFJOXQFX-UBHSHLNASA-N 316.361 -0.186 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cc2cncnc2)C1 958835076 YORBNHQVHBXWMU-WXHSDQCUSA-N 317.349 -0.791 30 20 DBED C=C(Cl)CN1C[C@H]2[C@H](NC(=O)C[C@@H]3NC(=O)NC3=O)[C@H]2C1 960339712 VHDZBVXONNAGGP-QCBRBAQYSA-N 312.757 -0.617 30 20 DBED C#CCOc1ncccc1C(=O)N[C@H]1[C@@H]2CN(CC(N)=O)C[C@@H]21 962329396 FHFOZVSAOLIVJS-IMRBUKKESA-N 314.345 -0.761 30 20 DBED CCn1nccc1C(=O)N[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1O 962456989 BGCRRUFMJSYMMH-FOGDFJRCSA-N 305.338 -0.636 30 20 DBED Cc1cc(C(=O)NC[C@H]2COCCN2C(=O)[C@@H](C)C#N)ncn1 964150770 RGBOTCYIICQOJL-JQWIXIFHSA-N 317.349 -0.098 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CN(C(=O)c3cnco3)CCO2)C1 965429659 FSAXHGQCFSCGFT-SNVBAGLBSA-N 304.306 -0.112 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@]3(CN(CCO)CCO3)C2)c1 972321922 YYHLFDSDMOQRTN-HNNXBMFYSA-N 304.350 -0.204 30 20 DBED C=C[C@@](C)(CC)C(=O)N1C[C@H]2[C@H](NC(=O)[C@@H]3CNC(=O)N3)[C@H]2C1 977082104 FFYDZCHFVKCSTA-OYLDRBDASA-N 320.393 -0.157 30 20 DBED C#CCN1C[C@@H]2C(CNC(=O)c3cn4c(n3)COCC4)[C@H]2C1 978341454 VDWQYHCRTRXWIX-CHWSQXEVSA-N 300.362 -0.046 30 20 DBED CC#CCN1C[C@H]2[C@H](CNC(=O)[C@H]3CCS(=O)(=O)C3)[C@H]2C1 978429445 ZJROQZSVCSHRSH-XDQVBPFNSA-N 310.419 -0.262 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](CNC(=O)c2cn(C)c(O)n2)C1 983213532 YPHLSFSDJNOMSA-UWVGGRQHSA-N 305.338 -0.136 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)Cc3nc[nH]n3)C[C@@H]2C1 986718373 BIQVISRONOSOJS-TUAOUCFPSA-N 316.365 -0.186 30 20 DBED C#CCN1CCC(C(=O)N2CC[C@H](NC(=O)CC)[C@H](O)C2)CC1 991142000 WVUOSTBJUAAHMM-LSDHHAIUSA-N 321.421 -0.180 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@H](NC(=O)C3CC3)[C@H](O)C2)c1 991195702 VUZYXRICDIFLMG-WCQYABFASA-N 302.334 -0.012 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)CCc3nc[nH]n3)C2)nc1 997088870 ZFANJWGBHCFVBH-UHFFFAOYSA-N 324.344 -0.246 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCCN([C@H](C)C(N)=O)C2)nn1 1008792675 GPXBFULSGUQHJU-GHMZBOCLSA-N 306.370 -0.468 30 20 DBED COCC(=O)N1CCO[C@H]([C@H](C)NC(=O)c2ccc(C#N)[nH]2)C1 1009615397 XSCRCYKMBGGUKD-GWCFXTLKSA-N 320.349 -0.122 30 20 DBED C=CCn1cc(C(=O)N2CCN(C(=O)[C@@H](C)C#N)CC2)nn1 1011154981 SXLHOWUMECNGCF-NSHDSACASA-N 302.338 -0.092 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C(=O)c2cnc3[nH]nnc3c2)CC1 1011283870 FMKDCEWYLNCRJE-VIFPVBQESA-N 313.321 -0.203 30 20 DBED CC#CCN1CC[C@@H](NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 1014431583 YAHCZSQITOXFHG-CHWSQXEVSA-N 315.377 -0.024 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2ccc(OCC(N)=O)cc2)C1 1015172509 APAXRJQUQPMYFE-CYBMUJFWSA-N 301.346 -0.012 30 20 DBED C[C@H](C#N)C(=O)N1CCC2(C1)CN(C(=O)[C@H]1COC(=O)N1)C2 1018986467 IANXLKGSMJYMNH-NXEZZACHSA-N 306.322 -0.685 30 20 DBED C=CCN1CC[C@H](N[C@H]2C[C@H](NC(=O)[C@H]3COC(=O)N3)C2)C1=O 1020121206 DIZVNSYHWKGHJX-FIQHERPVSA-N 322.365 -0.882 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@H]3CN(C(=O)CC(N)=O)C[C@H]32)c1 1021322514 WQGZUZPKOWGKTO-CMPLNLGQSA-N 315.333 -0.565 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]2CN(C(=O)CCn3cncn3)C[C@H]21 1022563696 AFOUARXNTPPUOU-FRRDWIJNSA-N 316.365 -0.113 30 20 DBED Cc1cccnc1C(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1O 1023337661 AFMYVJIJFJFUQQ-QJPTWQEYSA-N 302.334 -0.149 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C(F)F)C[C@H]1O 1023939424 CGKDLWNDSYKSIW-ZDCRXTMVSA-N 318.320 -0.079 30 20 DBED C=CCN1CC[C@@H](N(C)[C@H]2CCCN(C(=O)CC(N)=O)C2)C1=O 1027340202 BKQUJWVWVQCSQI-QWHCGFSZSA-N 322.409 -0.429 30 20 DBED COCCN1C[C@H](C(=O)N2CCC[C@H](N(C)CC#N)C2)CC1=O 1027431927 ORNOYVVTSUUVFV-KGLIPLIRSA-N 322.409 -0.072 30 20 DBED C=CCCn1cc(C(=O)NC2CN(CC(=O)N(C)C)C2)nn1 1031079071 CETCXHRTPSLDSE-UHFFFAOYSA-N 306.370 -0.644 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CN([C@@H]2CCN(C)C2=O)C1 1031089209 ZEZYCNQXOBMNRP-MJBXVCDLSA-N 307.394 -0.001 30 20 DBED C#CCN1CCO[C@H](CNC(=O)[C@@H]2CCCN(C(N)=O)C2)C1 1035434973 KIPOTEKNUVVNFA-CHWSQXEVSA-N 308.382 -0.773 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)c2cncc(C(N)=O)c2)C1 1035612313 BKDACVXQOHCQIX-ZDUSSCGKSA-N 302.334 -0.756 30 20 DBED C=CCCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)CN1CCC(=O)NC1=O 1037668185 SCOKUNNDGJLWGB-UHIISALHSA-N 306.366 -0.307 30 20 DBED CC#CCN1CC[C@H]1CNC(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1 1038696302 FXLZPGFEQJOIRW-MJBXVCDLSA-N 307.394 -0.164 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)Cc2cscn2)C1 1039749585 QSCBGVWRQYLWFJ-IINYFYTJSA-N 322.390 -0.075 30 20 DBED C[C@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)CCc2ncc[nH]2)C1 1040763767 RHQXZSVLTVRAKT-ABAIWWIYSA-N 319.365 -0.418 30 20 DBED Cn1ccc(C(=O)N[C@@H]2CN(c3cncc(C#N)n3)C[C@H]2O)n1 1041053009 JQTHGNQAWZZZNY-VXGBXAGGSA-N 313.321 -0.939 30 20 DBED C=CCOCCCC(=O)N1CC(O)(CNC(=O)C(F)F)C1 1041063133 ADNCJNRQFOXMMT-UHFFFAOYSA-N 306.309 -0.076 30 20 DBED C=CCn1cc(C(=O)N2CC(O)(CNC(=O)CC(C)C)C2)nn1 1041247757 ILSUHPYUGHHLSF-UHFFFAOYSA-N 321.381 -0.187 30 20 DBED N#CCN1CC[C@@]2(CCN(C(=O)CCN3C(=O)CCC3=O)C2)C1 1041451517 MSWODKOEAJUQSE-MRXNPFEDSA-N 318.377 -0.027 30 20 DBED C#CCN1CC[C@H]2CCN(C(=O)c3cnc(O)n(C)c3=O)C[C@@H]21 1042181386 GOIUGBZQVCLAAT-AAEUAGOBSA-N 316.361 -0.345 30 20 DBED CO[C@@H]1CN(c2snc(C)c2C#N)C[C@H]1NC(=O)C(N)=O 1042956704 WMXUSYHRBDWOAS-RKDXNWHRSA-N 309.351 -0.872 30 20 DBED Cc1cc(C)n(CC(=O)NCC2(O)CN(C(=O)[C@H](C)C#N)C2)n1 1043856921 PQXUAJNOWNPLIG-SNVBAGLBSA-N 319.365 -0.651 30 20 DBED N#Cc1nccnc1N1C[C@H](O)[C@H](NC(=O)c2ccnnc2)C1 1044576098 DZKDHAIEYAXLIU-NEPJUHHUSA-N 311.305 -0.882 30 20 DBED Cc1cc(CC(=O)N2CC(O)(CNC(=O)[C@@H](C)C#N)C2)no1 1045540974 NWJYHBAXCOYYKD-VIFPVBQESA-N 306.322 -0.625 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)CN2CCC(C)(C)C2)C1 1045554559 GBYVNIBVKUVAKC-GFCCVEGCSA-N 322.409 -0.433 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1 1047384538 XFCMEKUTSBIEEJ-MQYQWHSLSA-N 307.394 -0.572 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@]2(C)CCCS2(=O)=O)C1 1047560462 GNJDLCBRXRZFLH-SGMGOOAPSA-N 314.407 -0.910 30 20 DBED C=CCCC(=O)N(C)[C@H]1CN(C(=O)C2(NC(N)=O)CC2)C[C@@H]1O 1048510343 LSGNDYDSRVFELH-QWRGUYRKSA-N 324.381 -0.816 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cnc(C)[nH]2)C1 1048555474 ZHAKPUXBULCYSU-STQMWFEESA-N 322.365 -0.436 30 20 DBED C=CCCCC(=O)N(C)[C@H]1CN(C(=O)[C@H]2CCNC2=O)C[C@@H]1O 1049360718 IVNBQWZOZDZLNM-AVGNSLFASA-N 323.393 -0.491 30 20 DBED C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)CCn1ncn(C)c1=O 1049611792 KPOQVGHWYFLKQA-UONOGXRCSA-N 317.393 -0.330 30 20 DBED CC(=O)N1CCO[C@H](C(=O)N2CCC[C@H]3[C@@H]2CCN3CC#N)C1 1049871215 PTYFGDIQDBNXOL-KKUMJFAQSA-N 320.393 -0.177 30 20 DBED C[C@@H]1[C@@H](NC(=O)Cn2cncn2)CCN1c1cncc(C#N)n1 1050288318 MSODQMCVWASGFZ-PWSUYJOCSA-N 312.337 -0.277 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)c1cnc2n1CCOC2 1050964179 WNNUIJMHIGNIAS-LBPRGKRZSA-N 304.350 -0.523 30 20 DBED N#CCN1CCOC[C@@H]1CNC(=O)c1cc(C(N)=O)cs1 1051257750 IWUCCCRTVUXCGZ-JTQLQIEISA-N 308.363 -0.199 30 20 DBED Cc1nc(CC(=O)N2CC[C@@H](N3CCN(CC#N)CC3)C2)n[nH]1 1052024475 DMLKQRCNNUVGAT-CYBMUJFWSA-N 317.397 -0.602 30 20 DBED C=C(C)CN1CCN([C@H]2CCN(C(=O)[C@H]3CNC(=O)N3)C2)CC1 1052072984 DVYKOGBNJKKPMU-UONOGXRCSA-N 321.425 -0.538 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)[C@H]1CCCC(=O)N1)CCO2 1053299331 OFQXFFQBLWCLGF-CYBMUJFWSA-N 305.378 -0.408 30 20 DBED C#Cc1ccc(C(=O)N2CCOC3(CN(C[C@H](C)O)C3)C2)nc1 1053511995 JIVWOFDSSFTLHM-ZDUSSCGKSA-N 315.373 -0.030 30 20 DBED CC#CCN1CC2(CC[C@H](CNC(=O)c3cn(C)nn3)O2)C1 1053597385 CNFMEMRTPVSCBM-GFCCVEGCSA-N 303.366 -0.198 30 20 DBED C=C(C)CN1CC2(C[C@H](NC(=O)[C@H]3CN(C)CCO3)CO2)C1 1053765995 CAVNXYKIMPFJFP-UONOGXRCSA-N 309.410 -0.147 30 20 DBED O=C(C#CC1CC1)NCCN(CCO)C(=O)C[C@@H]1CCC(=O)N1 1058073764 YLSWZESCQTWIFI-ZDUSSCGKSA-N 321.377 -0.994 30 20 DBED C=CC(C)(C)C(=O)N(CCO)CCNC(=O)c1cnnn1C 1058302601 ZUZTZGRKKFFCIO-UHFFFAOYSA-N 309.370 -0.422 30 20 DBED N#Cc1nccnc1N1CC[C@@H](NC(=O)C[C@@H]2CCNC2=O)C1 1058465237 NMPIRAWHDWZTHL-WDEREUQCSA-N 314.349 -0.431 30 20 DBED C#CCCCCC(=O)NCCN(CCO)C(=O)Cc1nc[nH]n1 1058889263 BGIKPMAILKVXIK-UHFFFAOYSA-N 321.381 -0.522 30 20 DBED C=C[C@](C)(O)CC(=O)NCC[C@H]1CCN(C(=O)CC(N)=O)C1 1059379239 NMMANOUPOGPVDX-NHYWBVRUSA-N 311.382 -0.456 30 20 DBED C[C@@H](C#N)C(=O)NCC[C@@H]1CCN(C(=O)c2ncn(C)n2)C1 1059589843 PQJCOQSNOHZRHK-WDEREUQCSA-N 304.354 -0.057 30 20 DBED N#Cc1cncc(NC[C@@H]2CCN(C(=O)[C@@H]3CCC(=O)N3)C2)n1 1060899523 GOERRMRSHWUYQY-JQWIXIFHSA-N 314.349 -0.113 30 20 DBED C=CCCO[C@H](C)C(=O)NC[C@H]1COCCN1C(=O)COC 1061393615 KMHCQDOJFHXXDZ-OLZOCXBDSA-N 314.382 -0.042 30 20 DBED C=CCOCC(=O)N1CCOC[C@H]1CNC(=O)Cc1ccon1 1061451994 QMAALDOPATZHOD-CYBMUJFWSA-N 323.349 -0.237 30 20 DBED O=C(C#CC1CC1)NC[C@H]1COCCN1C(=O)[C@@H]1[C@H]2COC[C@H]21 1061573134 LYBISZBGGLBGOK-TTZDDIAXSA-N 318.373 -0.364 30 20 DBED CC(C)(C(N)=O)C(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(C#N)cn1 1062539483 PWFBJNGRHMPIPS-QWRGUYRKSA-N 314.349 -0.351 30 20 DBED N#Cc1nccc(N2CCC[C@@]3(CCN(C(=O)C(N)=O)C3)C2)n1 1064567039 BVMWLOWIFZNZPH-OAHLLOKOSA-N 314.349 -0.348 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)[C@H](C)OCC)CCO1 1064890385 AFYGGNMANHRSLA-QWHCGFSZSA-N 314.382 -0.042 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCCN(C(=O)CC(N)=O)CC1 1066168856 BDGYTZZKTVGKBS-GFCCVEGCSA-N 309.366 -0.601 30 20 DBED C[C@H]1CN(C(=O)Cn2cccn2)C[C@@H]1N=c1cc[nH]c(C#N)n1 1067045880 ZJHNBOFRJBWMNR-RYUDHWBXSA-N 311.349 -0.074 30 20 DBED C#CCO[C@H](C)C(=O)N(C)CCCN(C)C(=O)[C@@H]1CCC(=O)N1 1067427034 GTKAGFUWROGPRL-OLZOCXBDSA-N 323.393 -0.390 30 20 DBED C=CCCC(=O)N1CC2(C1)CN(C(=O)c1nnn(C)n1)CCO2 1068430159 PCEYAMFCOQGEEW-UHFFFAOYSA-N 320.353 -0.770 30 20 DBED C=CC(C)(C)CC(=O)N[C@@H]1COC2(C1)CN(C(=O)CC(N)=O)C2 1068880338 VHMSOXZIJAKEOL-NSHDSACASA-N 323.393 -0.050 30 20 DBED C[C@@H]1C[C@@H](Nc2ccc(C#N)nn2)CN1C(=O)CS(C)(=O)=O 1069042155 RXXYWJXDTBVORT-MWLCHTKSSA-N 323.378 -0.206 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)C2=COCCO2)CCOCC1 1070230664 BAKWIDLWFCJTCY-NSHDSACASA-N 323.349 -0.184 30 20 DBED C=CCOCC(=O)N1CCC[C@@H](NC(=O)[C@H]2CC(=O)N(C)C2)C1 1070553947 AWZQEHJQWNWIAC-QWHCGFSZSA-N 323.393 -0.226 30 20 DBED C=CCN1C[C@H]2C[C@@H]3CN(C(=O)[C@H]4COCCN4C)C[C@@]3(C1)O2 1070790488 YJZLVKOVDVUJFE-KCYZZUKISA-N 321.421 -0.195 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)[C@H]2CC[C@@H]2C(N)=O)CC1 1070984114 UKWJMLDMXQWABO-STQMWFEESA-N 322.409 -0.666 30 20 DBED C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1NC(=O)c1nc[nH]n1 1071661766 OBHMJNZVOLZTED-RKDXNWHRSA-N 308.367 -0.362 30 20 DBED C=CCOCC(=O)N[C@H]1CN(C(=O)CCn2ccnn2)C[C@H]1C 1071977797 FTNWATLZJBZPHQ-OLZOCXBDSA-N 321.381 -0.166 30 20 DBED CC#CCCCC(=O)N1C[C@@H](NC(=O)CNC(N)=O)[C@H](C)C1 1072553941 BDCZUFGBCROVHL-VXGBXAGGSA-N 308.382 -0.189 30 20 DBED C#CCN1CCC2(C1)CN(C(=O)[C@@H]1CCc3nnc(O)n3C1)C2 1072868032 XVBYIQZLMANXCE-GFCCVEGCSA-N 315.377 -0.286 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(C(=O)CNC(C)=O)[C@@H](C)C1 1074893284 BLCIUSDJZVQNEN-AAEUAGOBSA-N 311.382 -0.179 30 20 DBED N#CCN[C@H]1CCO[C@@H](C2CCN(C(=O)CC(N)=O)CC2)C1 1075388952 VJPHDFZXZUEKQY-QWHCGFSZSA-N 308.382 -0.239 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)c1ncccn1 1076219167 WMORPCRAMNEYGZ-NSHDSACASA-N 317.349 -0.759 30 20 DBED C=C[C@](C)(O)CC(=O)NCC[C@H](C)NC(=O)c1cn(C)nn1 1076300300 FOTOVBIEHRLXON-HZMBPMFUSA-N 309.370 -0.233 30 20 DBED C=C[C@](C)(O)CC(=O)NCC[C@H](C)NC(=O)[C@H]1CCC(=O)N1 1076300510 LYBVRULRXHUWPQ-RWSFTLGLSA-N 311.382 -0.397 30 20 DBED C#CCOCCC(=O)NCC[C@H](C)NC(=O)C[C@H]1CCC(=O)N1 1076504295 VAJAXRGAPMEJRY-QWHCGFSZSA-N 323.393 -0.294 30 20 DBED Cc1ncc2n1C[C@H](C(=O)N[C@@H]1CN(CC#N)C[C@H]1O)CC2 1077583912 SVKYGTPQEKDVMD-MRVWCRGKSA-N 303.366 -0.561 30 20 DBED Cc1nn(C)c(C)c1[C@@H](C)C(=O)N[C@@H]1CN(CC#N)C[C@H]1O 1078279934 HAFOAMMZWSEHQH-OASPWFOLSA-N 305.382 -0.175 30 20 DBED C[C@@H](CCNC(=O)[C@]1(C)CCNC1=O)NC(=O)C#CC1CC1 1078451437 XRONNCUMNVWMNW-ZBEGNZNMSA-N 305.378 -0.063 30 20 DBED N#CCN[C@@H]1C[C@H](NC(=O)CN2CCCNC2=O)C12CCC2 1078668737 QKNNZFVFOTUNAE-NEPJUHHUSA-N 305.382 -0.058 30 20 DBED C=C[C@@H](C)[C@H](C)C(=O)N1CCC(CO)(NC(=O)C(N)=O)CC1 1080978498 GFMKIYPNMCTBLT-MNOVXSKESA-N 311.382 -0.600 30 20 DBED C=CCCOCC(=O)N1C[C@@H](O)[C@H](CNC(=O)CCOC)C1 1081131386 QUWKXJJOAXSHKF-CHWSQXEVSA-N 314.382 -0.449 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2ocnc2C)C[C@H]1O 1081347593 XWHIIAYVTFNIRZ-VXGBXAGGSA-N 323.349 -0.265 30 20 DBED C#CCC1(C(=O)NC[C@H]2CN(C(C)=O)C[C@@H]2O)CCOCC1 1081534500 WTKJQCRTXYBUIR-KBPBESRZSA-N 308.378 -0.238 30 20 DBED C=C(C)C(C)(C)C(=O)NC[C@H]1CN(C(=O)c2cnn[nH]2)C[C@H]1O 1081642326 DVYXTKCKUKOWTH-CMPLNLGQSA-N 321.381 -0.044 30 20 DBED C=CCCC(=O)N1C[C@H](CNC(=O)Cc2nonc2C)[C@@H](O)C1 1081725543 WVZLBDYGPFQFHK-AAEUAGOBSA-N 322.365 -0.178 30 20 DBED C#CCOCCC(=O)N1CCCC[C@H]1CNC(=O)CNC(N)=O 1082073322 FHEJBUXPZFBBOB-LBPRGKRZSA-N 324.381 -0.808 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CN1CCCC1=O 1082995202 UPKJLGKCJSELMW-UONOGXRCSA-N 305.378 -0.456 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)c2cc3c(O)ncnc3cn2)C1 1084005030 FGJSBEBTMBEAIZ-OLZOCXBDSA-N 315.333 -0.309 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)[C@H]3CCCS(=O)(=O)C3)[C@@H]2C1 1084696918 OVIOYVGJGXKKEI-HZSPNIEDSA-N 310.419 -0.023 30 20 DBED N#Cc1ccc(C(=O)NC[C@H]2C[C@@H](N[C@H]3CCNC3=O)C2)[nH]1 1086064625 XYZUSNHECXVTTE-NDMJEZRESA-N 301.350 -0.127 30 20 DBED C#CCCN1CC[C@H](NC(=O)CN2C(=O)CN(C)C2=O)[C@H]1CC 1087822125 XKADOFXDBYOCIE-QWHCGFSZSA-N 320.393 -0.127 30 20 DBED C[C@@H]1[C@@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)CCN1CC#N 1089020848 GPYRSCKBXOHOLT-ZJUUUORDSA-N 307.354 -0.581 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2cn(C)ccc2=O)[C@H](O)C1 1090419068 DDGZZJRBNAKPNT-UKRRQHHQSA-N 303.362 -0.426 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2cn(C)nc2OC)[C@H](O)C1 1090490691 SVPQZPXBZPSKKY-QWHCGFSZSA-N 306.366 -0.383 30 20 DBED Cc1nsc(N2C[C@H](O)[C@H](NC(=O)CCN(C)C)C2)c1C#N 1091177710 GYMBNTWTMVAQBP-NEPJUHHUSA-N 323.422 -0.059 30 20 DBED Cc1nc(CC(=O)N2CCC(OC3CN(CC#N)C3)CC2)n[nH]1 1093534207 MPIIVYZDLUPKMI-UHFFFAOYSA-N 318.381 -0.129 30 20 DBED N#Cc1cnc(NCCNC(=O)CCN2CCOCC2)cn1 1093732279 LGVJSAHQYVDIAR-UHFFFAOYSA-N 304.354 -0.401 30 20 DBED N#Cc1cnc(NCCNC(=O)[C@H]2CCCCS2(=O)=O)cn1 1093922998 RNQVCJIXNUNFRS-LLVKDONJSA-N 323.378 -0.156 30 20 DBED N#CCN1CC(N2C[C@@H](NC(=O)c3ccncn3)CC2=O)C1 1094796906 GBZIAXMWKKISBG-JTQLQIEISA-N 300.322 -0.985 30 20 DBED C=CCOCC(=O)N1CC[C@H](N(C)c2nccn3nnnc23)C1 1095097872 RURNEOMMFWZBFX-NSHDSACASA-N 317.353 -0.241 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CCCN(c2ncccn2)C1 1096162248 GEGHKYWALKMTKU-LBPRGKRZSA-N 301.350 -0.299 30 20 DBED N#CCSCC(=O)N[C@@H]1CCN(c2ccc3nnnn3n2)C1 1096329256 NCKWZMRZDMCYCD-SECBINFHSA-N 318.366 -0.529 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1C[C@H](Nc2nccc(OC)n2)C1 1097014875 GKIDGCLLWGEFIF-XYPYZODXSA-N 317.349 -0.316 30 20 DBED C#CCCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1C(=O)CCC1=O 1098353364 HVGWTLQCAMKZLV-UPJWGTAASA-N 303.362 -0.120 30 20 DBED C#CCNCc1cn([C@H]2CCN(C(=O)c3cnnn3C)C2)nn1 1098667344 XVFLSSKIHBIWCW-LBPRGKRZSA-N 314.353 -0.783 30 20 DBED N#CCN[C@@H]1CN(C(=O)Cn2cnnc2O)C[C@H]1C(F)(F)F 1099241269 VSPRKJWQDFSZIV-HTQZYQBOSA-N 318.259 -0.514 30 20 DBED CC#CCN1C[C@@H](NC(=O)CNC(N)=O)CC2(CCOCC2)C1 1099562356 VSKRATASORWCHA-ZDUSSCGKSA-N 322.409 -0.335 30 20 DBED Cn1cc(CN2CC[C@H](NC(=O)CSCC#N)[C@@H](O)C2)cn1 1099690630 RRRGYACMLHLCOM-STQMWFEESA-N 323.422 -0.272 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)c2cncnc2)[C@H](O)C1 1099786944 RXKCLTGTRBUHSJ-UONOGXRCSA-N 306.366 -0.156 30 20 DBED CC(=O)NC1(C(=O)N[C@@H]2CCN(CC#N)C[C@@H]2O)CCCC1 1100032085 OUMHBJRSDIXOGZ-OLZOCXBDSA-N 308.382 -0.490 30 20 DBED CN(C)C(=O)CC(=O)NC[C@H]1CCCN1c1nccnc1C#N 1100913786 QBMCOMKFIFPMOR-LLVKDONJSA-N 316.365 -0.088 30 20 DBED C=CCNC(=O)[C@H](C)NC1CC(CNC(=O)CCCC(N)=O)C1 1101072459 LYGZZMJOHQKOOB-HIFPTAJRSA-N 324.425 -0.183 30 20 DBED C#CCCN1CC[C@H](Oc2ccnc(CNC(=O)C(N)=O)c2)C1 1101097031 HMDCSLNAXNTEAF-AWEZNQCLSA-N 316.361 -0.341 30 20 DBED CO[C@@H](C)CC(=O)N1C[C@H]2CN(CC(=O)NCC#N)C[C@@]2(C)C1 1101166321 KBBWYQJEGJQBDT-ZENOOKHLSA-N 322.409 -0.169 30 20 DBED N#Cc1cnc(N2CCCC[C@@H](NC(=O)CNC(N)=O)C2)cn1 1102841014 YSAVSSZWSNCBBA-SNVBAGLBSA-N 317.353 -0.508 30 20 DBED C[C@@H](CN=c1cc[nH]cc1C#N)CNC(=O)C1CS(=O)(=O)C1 1104096640 OJMLCCLXIGQQOD-JTQLQIEISA-N 322.390 -0.416 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H]1CN(c2ncccn2)CCO1 1104329782 AIOBCPAGSMAVAS-QWHCGFSZSA-N 304.350 -0.164 30 20 DBED CN(C)CCC(=O)NC[C@H]1CN(c2nccnc2C#N)CCO1 1104346781 RAFZVJHAXZATPP-LBPRGKRZSA-N 318.381 -0.379 30 20 DBED C#CCNCc1cn(C2CN(C(=O)C3(N(C)C)CCC3)C2)nn1 1105259506 BBFWJZQFBMCXBD-UHFFFAOYSA-N 316.409 -0.132 30 20 DBED Cc1ocnc1C(=O)NC[C@@H](O)CNc1nccnc1C#N 1105730351 YWNWBXZGQKGBJJ-VIFPVBQESA-N 302.294 -0.153 30 20 DBED N#Cc1nc(=NC[C@@H](O)CNC(=O)C2(C(F)F)CC2)cc[nH]1 1105976628 WUZLLCZFIARUOW-MRVPVSSYSA-N 311.292 -0.296 30 20 DBED C[C@@]1(C(=O)NC[C@@H](O)CNc2ncccc2C#N)CNC(=O)C1 1106027486 INROJKFUBWXFNH-NHYWBVRUSA-N 317.349 -0.632 30 20 DBED C#CCN1CC(n2cc(CNC(=O)CCn3cncn3)nn2)C1 1107126704 QWYIIZXCUWTLJM-UHFFFAOYSA-N 314.353 -0.934 30 20 DBED C=CCOCC(=O)NCc1cn(C2CN(CC#CC)C2)nn1 1107146396 HYGWTGSWFMHARN-UHFFFAOYSA-N 303.366 -0.023 30 20 DBED COC[C@H](C)N1CC(n2cc(CNC(=O)[C@H](C)C#N)nn2)C1 1107149325 BGPFTJXZQIXVFI-MNOVXSKESA-N 306.370 -0.054 30 20 DBED C=CCC[C@@H](C)N1CC(n2cc(CNC(=O)CC(N)=O)nn2)C1 1107153230 YUBGKEXPSOPAFA-LLVKDONJSA-N 320.397 -0.019 30 20 DBED N#Cc1cncc(NC/C=C\CNC(=O)C2CS(=O)(=O)C2)n1 1107358980 QLPWDERNLQYQEQ-UPHRSURJSA-N 321.362 -0.523 30 20 DBED N#Cc1cnc(NC/C=C\CNC(=O)[C@H]2CNC(=O)N2)c(F)c1 1107493103 ZMRGXQKIZIRFPX-RFMOXSJOSA-N 318.312 -0.142 30 20 DBED C[C@H](CNc1ncccc1C#N)NC(=O)[C@@H]1CCS(=O)(=O)N1 1107780326 IQLLHYCDNFVAQS-KOLCDFICSA-N 323.378 -0.438 30 20 DBED C[C@@H](C#N)C(=O)NC[C@]1(C)CN(Cc2cnn(C)n2)CCO1 1107819440 PFVNQMBJHZOGDX-SMDDNHRTSA-N 306.370 -0.318 30 20 DBED C[C@@H](CN(C)c1ccncc1C#N)NC(=O)[C@H](C)NC(N)=O 1108915590 PKNAICPPWMFBEE-UWVGGRQHSA-N 304.354 -0.049 30 20 DBED N#CCSCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2[C@H]1CCNC1=O 1108947530 XJNMZXNIAPBYLY-RHYQMDGZSA-N 308.407 -0.147 30 20 DBED N#Cc1cnccc1N1C[C@H]2C[C@H]1[C@@H]2NC(=O)CCn1cnnn1 1109718127 ORRFHMJTZAKLMU-RIEGTJTDSA-N 324.348 -0.277 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H](NC(=O)C(N)=O)C1CCCC1 1110678507 BSAHAPIQCOFZRX-CYBMUJFWSA-N 301.350 -0.053 30 20 DBED Cc1cc(N2CC[C@](O)(CNC(=O)[C@@H](C)C#N)C2)nc(CO)n1 1111041483 ITZJMYRQZFDEOP-BONVTDFDSA-N 319.365 -0.506 30 20 DBED CNC(=O)NCC(=O)NCC1(Nc2ccnc(C#N)n2)CCC1 1111920934 KXKATESYSSFMIB-UHFFFAOYSA-N 317.353 -0.272 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CN3CCC2CC3)CC1 1112857343 GLPUPDYBAXBRBI-HNNXBMFYSA-N 318.421 -0.778 30 20 DBED Cc1cc(=N[C@@H](C)[C@H](C)NC(=O)Cn2cnnn2)c(C#N)c[nH]1 1112905102 HXWGUVBIXUKEEO-QWRGUYRKSA-N 314.353 -0.325 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)c2cnn(C)c2OC)CC1 1113587606 AFYIVXAYKCGISD-UHFFFAOYSA-N 321.381 -0.511 30 20 DBED C[C@@H]1CCN(c2cncc(C#N)n2)C[C@H]1NC(=O)CC(N)=O 1114007540 ILDTUHXRILTOHN-MWLCHTKSSA-N 302.338 -0.445 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3ocnc3C)[C@H]2C1 1114101231 LLOKUMWZTZMCKN-PJXYFTJBSA-N 304.350 -0.055 30 20 DBED COCC#CCN1C[C@@H]2C(NC(=O)Cc3cnn(C)c3C)[C@H]2C1 1114384211 GRJZWXQVGFYBQM-GJZGRUSLSA-N 316.405 -0.033 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)C3(CF)CC3)[C@H]2C1 1114819912 XIPKYAHCRIPSPC-WUHRBBMRSA-N 307.369 -0.080 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)C(=O)N3CC[C@@H](C)C3)[C@H]2C1 1115088129 FZXDRCHGAIBUTM-KBXIAJHMSA-N 319.405 -0.449 30 20 DBED CC#CCN1C[C@H]2C(NC(=O)CCNC(=O)[C@@H]3CCCO3)[C@@H]2C1 1115350919 WWGRNALUOVMGCB-MCIONIFRSA-N 319.405 -0.259 30 20 DBED C=CCOCC(=O)N(C)C[C@H](C)Nc1nccn2nnnc12 1115651078 NHBKQVZWCSQQNI-JTQLQIEISA-N 305.342 -0.019 30 20 DBED NC(=O)[C@H]1CCCCN1C(=O)CCN/C(O)=C1\N=CC=CC1=O 1116174529 KEENEMUUHPHICW-NIZNLAEJSA-N 320.349 -0.231 30 20 DBED C=CCCCNC(=O)C(=O)NCCS(=O)(=O)N1CCCC1 1119778764 YVZXTODGJJEBMO-UHFFFAOYSA-N 317.411 -0.389 30 20 DBED COCCOCC(=O)NC[C@H](CO)Nc1ccc(C#N)nc1 1121213499 RDCIYDYVGGNCND-CYBMUJFWSA-N 308.338 -0.495 30 20 DBED C#CCCCC(=O)NC[C@H](CO)Nc1cc(C)nc(CO)n1 1121371425 NIZYZYFZWUXWRT-GFCCVEGCSA-N 306.366 -0.030 30 20 DBED CN(C)CC1(C(=O)NC[C@@H](CO)N=c2cc[nH]c(C#N)n2)CC1 1122508975 VHBSKHKNMJRTMX-NSHDSACASA-N 318.381 -0.999 30 20 DBED C[C@@H]1[C@H](C(=O)NC[C@H](CO)Nc2ccc(C#N)nn2)CCN1C 1122753016 UHKOLLGMHHTDBT-RAIGVLPGSA-N 318.381 -0.423 30 20 DBED Cc1cc(=N[C@@H]2CCN(C(=O)CNC(N)=O)[C@@H]2C)c(C#N)c[nH]1 1122931534 PQQDSXLYGXXTKD-ZYHUDNBSSA-N 316.365 -0.247 30 20 DBED CC(=O)NCC(=O)N1C[C@H](Nc2nccnc2C#N)C[C@@H]1C 1123120612 GYDBHGSKQHSMGI-GXSJLCMTSA-N 302.338 -0.114 30 20 DBED C#CCNC(=O)CC(=O)NCCNCc1ncc(Cl)n1C 1125978037 KCLREZDENSMBCV-UHFFFAOYSA-N 311.773 -0.581 30 20 DBED CNC(=O)CC(=O)N(C)C1CC(Nc2nccnc2C#N)C1 1126896106 KDCBQTFACOKQJD-UHFFFAOYSA-N 302.338 -0.114 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(CC#C)C[C@@H]1n1ccnn1 1128976359 RMSODEDTXRXKSY-MCIONIFRSA-N 301.350 -0.709 30 20 DBED Cc1noc(C(F)F)c1C(=O)NCCNCC(=O)NCC#N 1130111569 NQRKBSCFRQFUSR-UHFFFAOYSA-N 315.280 -0.120 30 20 DBED C=CCN1C[C@@H](F)C[C@@H]1c1n[nH]c(CNC(=O)CC(=O)NC)n1 1131148250 AWSRDZFOYXMOBZ-VHSXEESVSA-N 324.360 -0.172 30 20 DBED C=CCN1C[C@H]2C[C@@H]3CN(C(=O)[C@H](C)NC(N)=O)C[C@@]3(C1)O2 1131217239 KVAMBAVAYBRGEJ-FUTJPDQTSA-N 308.382 -0.469 30 20 DBED CC[C@H](NC(C)=O)C(=O)N1CCC(=O)NCCN(CC#N)CC1 1131386024 RESXSKSZBYKSQO-ZDUSSCGKSA-N 323.397 -0.925 30 20 DBED C[C@H]1CC[C@@H](NC(=O)c2cnns2)CN1CC(=O)NCC#N 1131838634 KLXYKGLDCBJSDY-VHSXEESVSA-N 322.394 -0.239 30 20 DBED C[C@H]1CC[C@H](NC(=O)CC2(O)CCC2)CN1CC(=O)NCC#N 1132017394 OSLKISQWBQVXBP-STQMWFEESA-N 322.409 -0.100 30 20 DBED C=CCNC(=O)CNC[C@H]1CN(C(=O)c2cnn[nH]2)CC[C@@H]1C 1132946556 TVHPFXPRPFBNBZ-RYUDHWBXSA-N 320.397 -0.205 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CCN(C(=O)CC)C1 1146912572 SCQLHDJTXRQJSG-OLZOCXBDSA-N 324.425 -0.359 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCCO[C@@H](CNC(=O)C2CC2)C1 1148941339 KFGHOYITRSUXPJ-OCCSQVGLSA-N 307.394 -0.259 30 20 DBED C#CCCN1CCCO[C@H](CNC(=O)Cn2cnnc2O)C1 1149589954 VTNGZYFUGQEPBJ-GFCCVEGCSA-N 307.354 -0.786 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H]1CN(CC(C)C)CCCO1 1149601947 XASDXIZWKOFRIY-CQSZACIVSA-N 309.410 -0.011 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)[C@H](C)S(C)(=O)=O)C1 1149904683 UVCLIBIYTYJWKP-RYUDHWBXSA-N 302.396 -0.740 30 20 DBED N#CCN1CCCO[C@H](CNC(=O)CN2CCCCC2=O)C1 1149946259 IKBPZJIFJPBRCY-CYBMUJFWSA-N 308.382 -0.270 30 20 DBED CCN(CCNS(C)(=O)=O)[C@H](C)CNC(=O)[C@H](C)C#N 1152413255 KZCQLGQSQOZKOV-GHMZBOCLSA-N 304.416 -0.478 30 20 DBED C=CCCC(=O)NCCCNCc1cc(=O)n(C)c(=O)n1C 1155593765 QJPZCTHWFUTLHB-UHFFFAOYSA-N 308.382 -0.354 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)c1ncccn1 1155949932 DERYCZOFDQUMRL-GFCCVEGCSA-N 303.366 -0.334 30 20 DBED C#CCNC(=O)CC(=O)NCCCNCc1noc(CC)n1 1156852985 TVBXVFNLKLXPEX-UHFFFAOYSA-N 307.354 -0.633 30 20 DBED C#CCNC(=O)CC(=O)NCCCNCc1nc(C2CC2)no1 1156857305 MCEWRPGUEHVDTJ-UHFFFAOYSA-N 319.365 -0.318 30 20 DBED C#CCN(CC)[C@H](C)CNC(=O)CCS(=O)(=O)N(C)C 1157062473 CFBFCFZJQFUCSE-GFCCVEGCSA-N 303.428 -0.272 30 20 DBED C=CCOCCNCCCNC(=O)[C@@H]1CCc2nnc(O)n2C1 1161262535 BXSKRDYQCCYHDO-GFCCVEGCSA-N 323.397 -0.155 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)[C@@H]2CCC(=O)NC2)C1=O 1161628040 LBTDVLSNMGUZDN-OLZOCXBDSA-N 322.409 -0.605 30 20 DBED C=CCNCC1(CCNC(=O)[C@H](C)NS(C)(=O)=O)CC1 1167328486 GXOTWOMQPIXFJK-NSHDSACASA-N 303.428 -0.014 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H]2OCCN(CCOC)[C@H]2C1 1176982551 FNJNJIDWHQSYEA-UONOGXRCSA-N 323.393 -0.926 30 20 DBED CCNC(=O)CN1CCO[C@H]2CCN(C(=O)C#CC3CC3)C[C@H]21 1177005717 JLWIHBYHMLRFQU-CABCVRRESA-N 319.405 -0.162 30 20 DBED C=CCNCCCCCCNC(=O)C[C@H](NC(C)=O)C(N)=O 1179753067 CXWRRGMPLSBXDF-ZDUSSCGKSA-N 312.414 -0.181 30 20 DBED C=CCOCC(=O)N1CC[C@@H](NCc2nnnn2CCC)C1 1181618063 KACRUYFTGSDQDC-GFCCVEGCSA-N 308.386 -0.024 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)c2ccc(C(N)=O)o2)C1 1184093091 VHOHPOCVTKXKOB-SNVBAGLBSA-N 320.349 -0.515 30 20 DBED C[C@H]1CN(C(=O)c2cn(C)c(=O)cn2)CC[C@H]1CNCC#N 1184852560 WYBBUWZPMXFZAK-RYUDHWBXSA-N 303.366 -0.008 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H](n2cc(CNCCO)nn2)C1 1185898114 AJYRXNNXLBCLEH-AAEUAGOBSA-N 306.370 -0.317 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@@H](CNCCO)C2(CCOCC2)C1 1186382774 SBVFXDDUWANLTQ-HUUCEWRRSA-N 324.421 -0.138 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)[C@H](O)C(C)C)[C@@H]2C1 1187743126 MOXIKYMHXOTXSQ-GZBFAFLISA-N 307.394 -0.715 30 20 DBED C#CCN1C[C@@H]2CCN(C(=O)[C@H](CCC)S(N)(=O)=O)[C@@H]2C1 1188663966 GLQAVQHKHYMMLB-XQQFMLRXSA-N 313.423 -0.391 30 20 DBED C=CCN1CC[C@@H](N(C)[C@H]2CCN(C(=O)CC(=O)NC)C2)C1=O 1189846462 DZSIBVQRWJSUQD-QWHCGFSZSA-N 322.409 -0.558 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC[C@@H](N(C)CCS(C)(=O)=O)C1 1189919001 XZFLXPOTNIREAJ-OCCSQVGLSA-N 318.439 -0.109 30 20 DBED COCC[C@H](C)C(=O)N1CC[C@H]2CN(CC(=O)NCC#N)C[C@H]21 1190272258 USTLGWAQWINFJD-MELADBBJSA-N 322.409 -0.169 30 20 DBED Cc1ncc(CC(=O)N2CC[C@@H](N(C)CC(=O)NCC#N)C2)o1 1190634625 JHFWZJQVIWGMJM-GFCCVEGCSA-N 319.365 -0.302 30 20 DBED CN(CC(=O)NCC#N)[C@H]1CCN(C(=O)[C@@H]2CCCCN2C)C1 1190947567 QRXTYCHRBBVUAR-KBPBESRZSA-N 321.425 -0.357 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CN(CCN2CCCC2=O)C[C@H]1O 1192826141 BNYZOWZJKKUWLT-ZIAGYGMSSA-N 305.378 -0.817 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@@H]1CCN(C(=O)CN(C)CCC)C1 1193640872 FZCORHRKVHOUBM-LSDHHAIUSA-N 322.453 -0.001 30 20 DBED C#CCC1(C(=O)N[C@@H]2CN([C@@H](CC)C(N)=O)C[C@H]2O)CCC1 1193691074 NFMIMCCMLGBAOS-FRRDWIJNSA-N 307.394 -0.395 30 20 DBED COCC(C)(C)C(=O)N1CCCN(CC(=O)NCC#N)CC1 1196531118 JKJMBGGJCKIODQ-UHFFFAOYSA-N 310.398 -0.167 30 20 DBED C=CCOCC(=O)N1CCCO[C@H](CNCCn2cncn2)C1 1200116053 SCBZWLKSLOLXRK-CQSZACIVSA-N 323.397 -0.312 30 20 DBED COCC#CCNC[C@H]1CN(C(=O)CN2CCCC2)CCCO1 1202048885 IQRVLSVOTXCXFO-INIZCTEOSA-N 323.437 -0.061 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)[C@H]2CC[C@@H](C)O2)CC1 1202574795 ACSKYMZKNXIXOS-TZMCWYRMSA-N 307.394 -0.116 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)c2ncn(C)n2)[C@H](C)C1 1206932503 HMYCXYIHTPRHJZ-GRYCIOLGSA-N 318.381 -0.997 30 20 DBED CCN1C[C@@H](C(=O)N[C@@H]2CN(CC#CCOC)C[C@H]2C)CC1=O 1207284206 ONYZYXVZIIFBGU-QLFBSQMISA-N 321.421 -0.059 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCCN(C(=O)CN(C)C(C)=O)C1 1207440785 JNHCCYNCRANYSF-OCCSQVGLSA-N 322.409 -0.817 30 20 DBED C=CCCN[C@@H]1CCCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 1211112416 IOFLNFOUHNZLFW-VXGBXAGGSA-N 301.412 -0.165 30 20 DBED C=CCCN1C[C@@H](NC(=O)COCc2nncn2C)[C@H](OC)C1 1213654050 OINJCUNDZFFHNX-CHWSQXEVSA-N 323.397 -0.277 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2cc[nH]n2)C[C@H]1C 1214179424 KNZQPOVKKHJVGB-NQBHXWOUSA-N 303.366 -0.402 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CN(C)C(C)=O)C[C@H]1C 1214183955 QSXKWCANRRLMPG-YRGRVCCFSA-N 324.425 -0.408 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CCCC(=O)N2)C[C@H]1C 1214921344 BSFPTUUQRAYCSK-JHJVBQTASA-N 322.409 -0.606 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(CC(=O)N(C)C(C)C)C[C@@H]1O 1219581671 RXUGDFNBWGCLTD-KGLIPLIRSA-N 309.410 -0.326 30 20 DBED C=CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3cccnn3)[C@@H]2C1 1221886300 CDHKLGDKFCQLGT-TZMCWYRMSA-N 315.377 -0.075 30 20 DBED COCC#CCN1CC[C@@H]2CN(C(=O)CCn3cnnn3)[C@@H]2C1 1221889944 WDDVGHCAFKYGIN-ZIAGYGMSSA-N 318.381 -0.754 30 20 DBED CNC(=O)NC(=O)CN1CCC(CNC(=O)[C@H](C)C#N)CC1 1222642233 ZYSWPHWJOBHRQY-SNVBAGLBSA-N 309.370 -0.570 30 20 DBED C#CCO[C@H](C)C(=O)NCC1CCN(Cc2nc(O)n[nH]2)CC1 1223182905 OLAABSCWMZGEGX-LLVKDONJSA-N 321.381 -0.123 30 20 DBED C#CCNC(=O)CC(=O)N1CCC([C@@H]2CCCN2CCO)CC1 1230552647 RPPVMDIQMXHOPQ-HNNXBMFYSA-N 321.421 -0.179 30 20 DBED C=C(C)COCCNC(=O)C(=O)NC[C@H]1CN(C)CCN1C 1258381829 DDQKGATYQQBJKL-ZDUSSCGKSA-N 312.414 -0.943 30 20 DBED N#CCNC(=O)COC(=O)CNC(=O)Cc1ccc(O)cc1 1318405609 FNNKUQFLFXMLEG-UHFFFAOYSA-N 305.290 -0.766 30 20 DBED N#CCCCCS(=O)(=O)N1CCC[C@H](S(N)(=O)=O)C1 1319935701 WKVHCGWMTXZDPR-JTQLQIEISA-N 309.413 -0.237 30 20 DBED C=CCN1CCC(NC(=O)C(=O)N[C@H](C)C[S@@](C)=O)CC1 1322802332 IGIKVGKCMVCTTQ-WSVYEEACSA-N 315.439 -0.364 30 20 DBED CN(CCOCCO)C(=O)C(=O)NCC#Cc1ccccc1 1322988177 KVIMVOHCVZPQRJ-UHFFFAOYSA-N 304.346 -0.378 30 20 DBED C[C@H](CN1CCOCC1)NC(=O)C(=O)NCC1(CC#N)CC1 1323130217 YNBZUSIICOCZNJ-GFCCVEGCSA-N 308.382 -0.367 30 20 DBED CC[C@@H](C)NC(=O)CCNC(=O)C(=O)N1CC[C@@](F)(C#N)C1 1323453433 CRFYYOOIWIIZNK-QMTHXVAHSA-N 312.345 -0.128 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N1CCn2cnnc2[C@@H]1C 1324496047 LZJLGVNCYWCLEH-JTQLQIEISA-N 313.383 -0.035 30 20 DBED CNS(=O)(=O)N1CCC(C(=O)OCCOCCC#N)CC1 1324507510 PLFAMUAYHOKELO-UHFFFAOYSA-N 319.383 -0.364 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2CN2CCCC2)CCO1 1325177515 SOFRQLJDOPQJAV-ZIAGYGMSSA-N 320.393 -0.176 30 20 DBED C#CCNC(=O)C1CCN(Cn2cnc(C(=O)OC)n2)CC1 1325283376 FXJZTZJVYLGWFG-UHFFFAOYSA-N 305.338 -0.516 30 20 DBED C=CCN(C(=O)C(=O)N1C[C@@H](C(=O)OC)C[C@@H](O)C1)C1CC1 1326263030 CRIIXHAXGAXXFP-CMPLNLGQSA-N 310.350 -0.454 30 20 DBED C=CCOCCNC(=O)C(=O)N1CCC(S(C)(=O)=O)CC1 1327052391 FFDDMACUULYBBK-UHFFFAOYSA-N 318.395 -0.659 30 20 DBED C=C[C@@H]1CCCCN1C(=O)C(=O)N1C[C@@H](C(=O)OC)C[C@@H](O)C1 1329452864 FUBYKSXJXTXGGE-YNEHKIRRSA-N 324.377 -0.064 30 20 DBED CC#CC[C@H](CO)NC(=O)[C@H](C)n1cnc2c(N)ncnc21 1330873632 PTDXBKKZGQXXNH-VHSXEESVSA-N 302.338 -0.140 30 20 DBED CO[C@@H]1CCCN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)CC1 1333182779 UMIBJKJCDLUWNZ-IUODEOHRSA-N 309.366 -0.109 30 20 DBED C#C[C@H](NC(=O)C(=O)NCCOCCOCC)[C@@H]1CCCO1 1333512566 CLYODISRJQNRGM-STQMWFEESA-N 312.366 -0.547 30 20 DBED C=CCCN(C)C(=O)C(=O)NCCS(=O)(=O)NC(C)C 1345551827 BWBUPYUNFDYVQA-UHFFFAOYSA-N 305.400 -0.535 30 20 DBED C=CCNC(=O)Cn1nnnc1N1CCC[C@H](OCCOC)C1 1355581612 HYORACLKCAVJIH-LBPRGKRZSA-N 324.385 -0.393 30 20 DBED Cc1nc(CN(C)C(=O)CCn2cc(C#N)c(O)nc2=O)no1 1362272706 VVUBMBDRTZSGCW-UHFFFAOYSA-N 318.293 -0.439 30 20 DBED COC(=O)c1cncc(Cn2c(=O)c(C#N)cn(C)c2=O)c1 1363173335 CCXAJJYSBLQOME-UHFFFAOYSA-N 300.274 -0.351 30 20 DBED C[C@@H](CN(C)C(=O)c1c[nH]c(C(N)=O)c1)NC(=O)[C@H](C)C#N 1370522695 ZTORKTKXBYDCIF-BDAKNGLRSA-N 305.338 -0.150 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)CCc2cccnc2)C1 1371470575 WXOILWQJDZAARN-MRVWCRGKSA-N 316.361 -0.138 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)C1CCN(C(=O)c2cc[nH]n2)CC1 1384767631 KWIQHDNQMWGGMH-NSHDSACASA-N 319.365 -0.005 30 20 DBED CO[C@@H](C(=O)NC1CN(C(=O)[C@H](C)C#N)C1)c1cnn(C)c1 1398651790 SOXOXNMAJNNDIM-BXKDBHETSA-N 305.338 -0.406 30 20 DBED CCN(CCC#N)C(=O)CN1CCN(CCNC(C)=O)CC1 1402100966 ZSBHDSUBWJOYHD-UHFFFAOYSA-N 309.414 -0.498 30 20 DBED C[C@H]1CN(C(=O)Cn2cc(C#N)c(O)nc2=O)[C@@H](C)CN1C 1412715916 ZTBJQZVBRDZFPL-UWVGGRQHSA-N 305.338 -0.628 30 20 DBED CC(=O)N1CCC(C(=O)N2CC(CNC(=O)[C@@H](C)C#N)C2)CC1 1416118079 CLMNHCXMJDCJLR-NSHDSACASA-N 320.393 -0.021 30 20 DBED N#Cc1cn(CC(=O)NCC[C@H](O)C(F)(F)F)c(=O)nc1O 1417730393 RCZPHVGAJMZODA-ZETCQYMHSA-N 320.227 -0.750 30 20 DBED C[C@H](O)[C@H](NC(=O)C1CCCC1)C(=O)N1CC[C@@](O)(CC#N)C1 1418179923 YAFXMJPGCLUOLD-RBOXIYTFSA-N 323.393 -0.081 30 20 DBED C[C@H](NC[C@@H](O)CN(C)C(=O)c1cc(C#N)c[nH]1)C(=O)N(C)C 1423434032 OAOKMOLBEXKMJP-CMPLNLGQSA-N 321.381 -0.614 30 20 DBED CN(C)[C@H](CNC(=O)Cn1cc(C#N)c(O)nc1=O)C1CC1 1433614435 SUYURTNSMLGZGJ-LLVKDONJSA-N 305.338 -0.723 30 20 DBED N#CC1CN(C(=O)CNc2ccc(S(N)(=O)=O)cc2F)C1 1450373594 JSXMKMLNRMRJFK-UHFFFAOYSA-N 312.326 -0.133 30 20 DBED CCn1nc(C(=O)N(C)C[C@H](C)NC(=O)[C@H](C)C#N)ccc1=O 1451194736 XQZVSTJIBZEJPX-MNOVXSKESA-N 319.365 0.000 30 20 DBED Cc1cc(OCC(=O)NC[C@@H](O)CNC(=O)[C@@H](C)C#N)no1 1452371880 KGQHOFVXFQHDRF-WCBMZHEXSA-N 310.310 -0.885 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1ncoc1C1CC1 1452405430 HSFBKGJHFHQTCT-WCBMZHEXSA-N 306.322 -0.081 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)c2nc3ncccn3n2)C1 1454346966 ZAHLWOUEJIIXOU-OPRDCNLKSA-N 313.321 -0.339 30 20 DBED C[C@@H](C#N)C(=O)N(C)CC(C)(C)CNC(=O)[C@H]1COC(=O)N1 1508689782 JXLOITDKWNRYEY-VHSXEESVSA-N 310.354 -0.145 30 20 DBED CCN(CCNC(=O)c1cnn(C)n1)C(=O)c1c[nH]c(C#N)c1 1528952836 ZPXSEBLCBGAVEF-UHFFFAOYSA-N 315.337 -0.093 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H](C)CN=c1cc[nH]c(C(=O)O)n1 1573311201 JWFMIQPHCYRSJL-NXEZZACHSA-N 306.322 -0.448 30 20 DBED N#Cc1ccc(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)O)cn1 1574486456 XSRXXZWGHZFBJZ-SNVBAGLBSA-N 309.303 -0.723 30 20 DBED C#C[C@H]1CCCCN1C(=O)C(=O)NC1CCN(CC(=O)O)CC1 1588385794 JDOASWVKZSQAGU-ZDUSSCGKSA-N 321.377 -0.334 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@]1(C(=O)O)C[C@@H]1S(C)(=O)=O 1588490201 ISERPZSXNCAZNM-HOTUBEGUSA-N 303.336 -0.971 30 20 DBED CC1=NO[C@@](C)(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[nH]2)C1 1590162047 JGZMYLOQPOAUPF-LLVKDONJSA-N 301.270 -0.045 30 20 DBED N#CCN(CC(=O)O)C(=O)CNC(=O)c1ccc(C#N)cc1 1601070163 WQAQBECJWNJDER-UHFFFAOYSA-N 300.274 -0.275 30 20 DBED N#CCNC(=O)CN1[C@H]2CC[C@H]1CN(C(=O)[C@@H]1C[C@H]1C(=O)O)C2 1601074749 PFRZKSZQBGRWDJ-NNYUYHANSA-N 320.349 -0.978 30 20 DBED C#CCNC(=O)C1CCN(C(=O)NC[C@H]2C[C@H]2C(=O)O)CC1 1602720434 RYHJVRVAXPUFGS-VXGBXAGGSA-N 307.350 -0.122 30 20 DBED COC[C@]1(C(=O)O)CN(C(=O)c2ccc(C#N)cn2)CCO1 1604556333 DHALBKHBWXDMHC-AWEZNQCLSA-N 305.290 -0.105 30 20 DBED CS(=O)(=O)N1CCC(CC(=O)N[C@@H]2CNC[C@@H]2C#N)CC1 1647265309 ZDFVFFKFDOIQTI-NWDGAFQWSA-N 314.411 -0.724 30 20 DBED CNC(=O)[C@H](CO)NC[C@@H](O)COc1ccc(CC#N)cc1 1649849800 MDTKMTLLMFFJNU-OCCSQVGLSA-N 307.350 -0.811 30 20 DBED C#CCNC[C@H]1CCCN1C(=O)CS(=O)(=O)CCOC 1732327639 RDNYNCMBBAQAMZ-GFCCVEGCSA-N 302.396 -0.739 30 20 DBED C#CCNC(=O)CN(C)CCCNC(=O)C[C@@H]1CCCC(=O)N1 1752016916 HDNAHWMBGOPDLE-ZDUSSCGKSA-N 322.409 -0.767 30 20 DBED C#CCN1CCN(CCNC(=O)c2cnc3n2CCC3)CC1 1752366341 XKZOKLOQPYZFDG-UHFFFAOYSA-N 301.394 -0.190 30 20 DBED C#CCNC(=O)CNC[C@@H]1CCN(C(=O)CCCN(C)C)C1 1752948961 APZHZAHOUXFAKG-AWEZNQCLSA-N 308.426 -0.484 30 20 DBED C#CCNC(=O)CN1CC[C@H](CNC(=O)CN2CC[C@@H](C)C2)C1 1753136012 RLDTXZNVLCZKKQ-HUUCEWRRSA-N 320.437 -0.484 30 20 DBED C#CCNC(=O)CN(CCNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)C1CC1 1753160079 HRDSNZYGHBOYSA-KFWWJZLASA-N 319.405 -0.116 30 20 DBED COCC#CCN(C)C[C@H]1CCN(C(=O)[C@@H]2CCC(=O)NC2)C1 1753350621 NCRRYQVSKIANOF-HUUCEWRRSA-N 321.421 -0.057 30 20 DBED CC1(C)CO[C@H](CC(=O)NCC2CN(CC(=O)NCC#N)C2)C1 1753406566 BFLZYSAIVDVDGS-CYBMUJFWSA-N 322.409 -0.121 30 20 DBED Cn1cc(CCNC[C@H](O)CNC(=O)c2c[nH]c(C#N)c2)cn1 1753908868 OPEWNSPJZDOSIU-AWEZNQCLSA-N 316.365 -0.457 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H](O)CNCCn1cncn1 1753931279 QVEFTDTXRWVJON-RDBSUJKOSA-N 323.397 -0.674 30 20 DBED C#CCCNC[C@@H](O)CNC(=O)[C@@H]1COc2ccccc2O1 1753936093 PRYLWBUMJZTIIA-DOMZBBRYSA-N 304.346 -0.084 30 20 DBED C[C@H](CNCC#Cc1ccc(F)cc1)NC(=O)[C@H]1CNC(=O)N1 1754240186 HFJWDZKDYWOOEZ-BXUZGUMPSA-N 318.352 -0.047 30 20 DBED C[C@@H](CNCC(=O)NCC#N)NC(=O)c1ccc2n[nH]cc2c1 1754281046 VDAKSEIEPHSWPY-JTQLQIEISA-N 314.349 -0.089 30 20 DBED C=CCNC(=O)CN1C[C@H]2C[C@H]1[C@@H]2NC(=O)Cn1ccnc1C 1754431567 OWOGLXZQRFWOTF-DVOMOZLQSA-N 317.393 -0.317 30 20 DBED COCC#CCN1CC[C@](O)(CNC(=O)Cc2cnn(C)c2)C1 1754746561 VPKJGHIDGWGFDC-INIZCTEOSA-N 320.393 -0.835 30 20 DBED CC#CCN1CC(O)(CNC(=O)C[C@@H]2CCOC[C@@H]2OC)C1 1754768344 JVZIIJWXTBCTGN-KBPBESRZSA-N 310.394 -0.386 30 20 DBED C#Cc1ccccc1CC(=O)NCC1(O)CN(CCCO)C1 1754777018 QMIWLDBUMTVJSG-UHFFFAOYSA-N 302.374 -0.244 30 20 DBED N#CCNC(=O)CN1CC2(C[C@H](NC(=O)c3ccoc3)CO2)C1 1755059438 QWAVDEZDCXAJHX-LBPRGKRZSA-N 318.333 -0.508 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)[C@@H](C)CC(N)=O)CCO2 1755174420 QKZFJEYEWCZRSI-ZDUSSCGKSA-N 307.394 -0.176 30 20 DBED C#CCCNCC(C)(C)CN(C)C(=O)CN1C(=O)CNC1=O 1755287320 WAEYUCVJZPYTOX-UHFFFAOYSA-N 308.382 -0.364 30 20 DBED CCOCCNC(=O)CN1CC([C@@H](C)NC(=O)C#CC2CC2)C1 1755372303 ATCOEZHUJCSXPP-CYBMUJFWSA-N 321.421 -0.011 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)C[C@@H](C)NCC(=O)NCC 1755591662 OAUWYGWXQJUIKU-KGLIPLIRSA-N 308.426 -0.343 30 20 DBED CC#CCN1CC=C(CNC(=O)CS(=O)(=O)N(C)C)CC1 1755898763 ZMLWTLUIHKSHBV-UHFFFAOYSA-N 313.423 -0.351 30 20 DBED C=C1CC(C)(C(=O)N[C@H](CO)CNC(=O)c2ccnn2C)C1 1756507365 AUJBBBHIIBPWBT-NSHDSACASA-N 306.366 -0.017 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C[C@H]1CCCCN1C(=O)C(N)=O 1756867620 OLNOESUFEHRSOC-VXGBXAGGSA-N 309.366 -0.651 30 20 DBED C=CCCC(=O)N[C@@H]1CN(C(=O)Cc2cnn(C)c2C)C[C@@H]1O 1757160844 HZLWSGRVNCPJNO-KGLIPLIRSA-N 320.393 -0.075 30 20 DBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CC1 1801642748 FLVULONXVFSBNE-GNXNZQSNSA-N 306.318 -0.926 30 20 DBED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830061686 RYRHPSDNSHQIKJ-MRXNPFEDSA-N 319.361 -0.374 30 20 DBED Cn1c(N2CCC3(CC2)OCCO3)c(C#N)c(=O)n(C)c1=O 26705317 ACGSKZSLUWDJNK-UHFFFAOYSA-N 306.322 -0.701 30 20 DBED C=CCNS(=O)(=O)c1cccc(/C(O)=N/C2=NC(=O)CN2)c1 50222194 IVKOKUFFNYFZCA-UHFFFAOYSA-N 322.346 -0.059 30 20 DBED C=CCN(CC=C)C(=O)CN1CCN(S(C)(=O)=O)CC1 52797616 WHYFFAGJVVOPMX-UHFFFAOYSA-N 301.412 -0.236 30 20 DBED C=CCNC(=O)NC(=O)CN1CCN(C[C@H]2CCCO2)CC1 57884216 ROECDJFWFKDECS-CYBMUJFWSA-N 310.398 -0.205 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(Cc2cc(C)on2)c1=O 78966093 BIWIOCOIQUHMNI-UHFFFAOYSA-N 304.306 -0.112 30 20 DBED CCN(C[C@@H](C)C#N)C(=O)CN(C)CC(=O)N1CCOCC1 111242689 FBVHESGEOSHWBQ-ZDUSSCGKSA-N 310.398 -0.215 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)CN(C)C(C)C)CC1 112904096 MRSWBSVLLPNEOZ-UHFFFAOYSA-N 308.426 -0.390 30 20 DBED C[C@H]1CN(CC(=O)N(CCC#N)CCC#N)CCN1CCO 187724414 KSJLCVGDASHOPA-AWEZNQCLSA-N 307.398 -0.359 30 20 DBED Cn1cc(CN2CCN(C(=O)C(=O)NC3CC3)CC2)cc1C#N 191251696 JMTJVDYEBKIRDJ-UHFFFAOYSA-N 315.377 -0.180 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H]([C@H](C)N)C2)C1=O 262568113 FLGQLEHGQFBKDR-WDEREUQCSA-N 322.365 -0.451 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCc2nccn2C)C1=O 264026335 LBMNUJWMLBNLCJ-UHFFFAOYSA-N 305.294 -0.987 30 20 DBED Cn1c(N[C@H]2CC(=O)N(C(C)(C)C)C2)c(C#N)c(=O)n(C)c1=O 267672623 OHNJQNZVGAHWHD-VIFPVBQESA-N 319.365 -0.233 30 20 DBED CNC(=O)CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 268728628 NKFUSOZOPAZLLC-SECBINFHSA-N 324.362 -0.913 30 20 DBED CCOC(=O)[C@H](C)[C@@H](C)Nc1c(C#N)c(=O)n(C)c(=O)n1C 274655447 HYGJKJFEKTZFCV-RKDXNWHRSA-N 308.338 -0.045 30 20 DBED C=C[C@@H](CO)NC(=O)NC1CCN(CC(=O)NCCC)CC1 292266520 GHEPZHHEICJDSD-LBPRGKRZSA-N 312.414 -0.177 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCN2C(C)=O)CC1 330605755 JZURTHRMNJXULI-AWEZNQCLSA-N 322.409 -0.556 30 20 DBED COC(=O)[C@H]1CN(S(=O)(=O)N(C)C[C@H](C)C#N)CCO1 337105243 ZDQRFICSQKVWEK-NXEZZACHSA-N 305.356 -0.804 30 20 DBED C=CC[C@H](CO)CNC(=O)NC1CCN(CC(=O)NC)CC1 341857905 FDOHMNLCDDNVLZ-LBPRGKRZSA-N 312.414 -0.319 30 20 DBED C[C@@H](CC(=O)NCC(=O)NCC#N)NC(=O)c1ccccc1 343528477 SFOSPNZLBVHURP-NSHDSACASA-N 302.334 -0.049 30 20 DBED CCS(=O)(=O)N1CC(CNC(=O)c2cnccc2C#N)C1 345395087 TZUQMMXFXPVSCR-UHFFFAOYSA-N 308.363 -0.035 30 20 DBED N#Cc1ccc(OCCN2C(=O)[C@H]3CNC(=O)CN3C2=O)cc1 348576472 SGVMHPDURQEXPR-GFCCVEGCSA-N 314.301 -0.300 30 20 DBED C[C@H]1C[C@@H](C)CN(S(=O)(=O)NCCn2cnc(C#N)n2)C1 352642920 RMYZBQCTIRTHKK-PHIMTYICSA-N 312.399 -0.038 30 20 DBED C=C[C@H](CO)NC(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 356852583 GMNSEQFPKZYKSX-NPNZPCOPSA-N 308.334 -0.798 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N1CCN([C@H]2CCOC2)CC1 374446204 HITIYGPJJJMXLZ-OLZOCXBDSA-N 316.427 -0.271 30 20 DBED C=CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCC(=O)OC 416659447 MAWPKRZWMPTTDN-JTQLQIEISA-N 304.368 -0.354 30 20 DBED N#Cc1ccc(OCCNC(=O)C(=O)NC[C@@H]2CCCN2)cc1 419467557 SNCYUFXGTMVEOW-ZDUSSCGKSA-N 316.361 -0.079 30 20 DBED CNCCNC(=O)C(=O)N1CCN(c2ccccc2C#N)CC1 419861866 AJUWBWJUIUVXOH-UHFFFAOYSA-N 315.377 -0.458 30 20 DBED N#Cc1ccc(OC2CN(C(=O)C(=O)N3CCNCC3)C2)cc1 423562327 NBBAIWYCJXEISQ-UHFFFAOYSA-N 314.345 -0.420 30 20 DBED C#CCNC(=O)CN1CCN([C@@H](C)C(=O)NC(C)(C)C)CC1 491165677 MVKNMLDWRZFLOW-ZDUSSCGKSA-N 308.426 -0.343 30 20 DBED N#CCNC(=O)CNC(=O)[C@H]1CC(=O)N(c2ccccc2)C1 561467793 JLEXOEJLZXLIPP-NSHDSACASA-N 300.318 -0.205 30 20 DBED CC(C)NC(=O)C(=O)N1CCN(c2ncncc2C#N)CC1 578743915 VRJGFNIWCRTELV-UHFFFAOYSA-N 302.338 -0.479 30 20 DBED C[C@H](O)C[C@H]1COCCN1C(=O)C(=O)Nc1cccc(C#N)n1 582180282 HPDHRVNDSFZMEL-JQWIXIFHSA-N 318.333 -0.110 30 20 DBED CCS(=O)(=O)C1CN(CC(=O)N(CCC#N)CCC#N)C1 595517521 BYNMDFWHXNRJBH-UHFFFAOYSA-N 312.395 -0.239 30 20 DBED CCN1CCCN(S(=O)(=O)N2CCO[C@H](C#N)C2)[C@@H](C)C1 601439936 KHRSJRFRDXYLQD-QWHCGFSZSA-N 316.427 -0.128 30 20 DBED CC#CC[C@H](CO)NC(=O)c1ccc(S(N)(=O)=O)cc1F 649184712 PMNDQXJVNVIHSY-SECBINFHSA-N 314.338 -0.023 30 20 DBED C#CCCCS(=O)(=O)N1CCN(CC(=O)NCC)CC1 710309477 JZWICYCIAVOXNJ-UHFFFAOYSA-N 301.412 -0.517 30 20 DBED N#CC1(NC(=O)COC(=O)C2CC(=O)NC(=O)C2)CCCCC1 726821570 NBOGIDJCINJBJX-UHFFFAOYSA-N 321.333 -0.075 30 20 DBED N#CCCN(CCC#N)C(=O)COC(=O)c1cc(C(N)=O)c[nH]1 750420515 PMQSMIWTXNJYPH-UHFFFAOYSA-N 317.305 -0.074 30 20 DBED C[C@H]1CC(=NC(=O)CCc2nc3c(O)nc(=O)n(C)c3[nH]2)NO1 763262045 WHWSMHLLBCJFGY-LURJTMIESA-N 320.309 -0.467 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)c1cccc(C(N)=O)n1 781723249 QSRIEYREPXVUCW-UHFFFAOYSA-N 306.278 -0.651 30 20 DBED C#CCC[C@H](O)CNC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O 799077343 DTTBWBCNXBONTG-NHYWBVRUSA-N 307.350 -0.403 30 20 DBED C#CCCS(=O)(=O)N[C@H]1CCN(C2CCOCC2)C1=O 808299237 FJIMCDBSANDHOG-LBPRGKRZSA-N 300.380 -0.291 30 20 DBED CC(C)[C@@H](C#N)N1CCN(C(=O)CN[C@@]2(C)CCOC2=O)CC1 810096561 QOMPYXVNNCWLCP-CJNGLKHVSA-N 322.409 -0.026 30 20 DBED C#CCN(c1nnc(C)n1CCOC)[C@H]1CCS(=O)(=O)C1 812161495 OEFDRPKABXHBDG-LBPRGKRZSA-N 312.395 -0.140 30 20 DBED C#CCNC(=O)COC(=O)c1nnn(-c2ccn(C)n2)c1C 814578247 UQGXCOSWXZNSTK-UHFFFAOYSA-N 302.294 -0.785 30 20 DBED C#CC[C@@H](CO)NC(=O)CNC(=O)c1ccc2c(c1)OCO2 816673870 KMZUEXCWOIBGHW-NSHDSACASA-N 304.302 -0.355 30 20 DBED C#CCNC(=O)c1ccc(N2C[C@@H](C(=O)OC)C[C@@H](O)C2)nc1 826817217 SLYQAEIGACSKCV-QWHCGFSZSA-N 317.345 -0.195 30 20 DBED C#CCNC(=O)CN1CCN(C[C@H]2CC(C(=O)O)=C(C)O2)CC1 833365604 NLMKBZXGMMTPAN-CYBMUJFWSA-N 321.377 -0.499 30 20 DBED N#C[C@@H]1CNC[C@@H]1NC(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 834517415 VEFVJMQVMSHLPU-SCRDCRAPSA-N 313.361 -0.342 30 20 DBED C#CCCCNC(=O)C(=O)NCc1cc(=O)n2ccccc2n1 846731559 JTSTZLVYJJOCSG-UHFFFAOYSA-N 312.329 -0.160 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC(NC(=O)N2CCOCC2)CC1 852193534 QWHRLXKLMGWEPU-CYBMUJFWSA-N 322.409 -0.370 30 20 DBED C#CCN1CCC(C(=O)N[C@H]2CS(=O)(=O)C[C@H]2OC)CC1 855477137 VQHAQVBKOKYIQB-QWHCGFSZSA-N 314.407 -0.740 30 20 DBED N#Cc1cccnc1NCCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 858761846 NYYMKHIXEJHTIZ-WDEREUQCSA-N 303.322 -0.486 30 20 DBED C#CCCOC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 858905925 FRUCLCYNKIBGDS-UHFFFAOYSA-N 307.350 -0.087 30 20 DBED C#CCNC(=O)COC(=O)[C@@H](CO)NC(=O)OC(C)(C)C 860083020 AXOLDSBFAINCQV-SECBINFHSA-N 300.311 -0.835 30 20 DBED CC(C)(C)OC(=O)N1CC(CS(=O)(=O)NCC#CCO)C1 867466715 AQZXGDHKQHKRJG-UHFFFAOYSA-N 318.395 -0.232 30 20 DBED C#CCCN1CCN(CC(=O)N=[S@@](C)(=O)N(C)C)CC1 878313477 HOHATFCXWYPIDI-HXUWFJFHSA-N 300.428 -0.272 30 20 DBED C#CC1(O)CN(C(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)C1 890520563 KCTDOJXRNUPYBW-ZDUSSCGKSA-N 312.329 -0.687 30 20 DBED C#CC[C@@H]1NC(=O)N(CCCN(CC)S(C)(=O)=O)C1=O 927383608 JFNUYDUGFYPTRR-JTQLQIEISA-N 301.368 -0.398 30 20 DBED C#CCN1CCC(C(=O)N2C[C@@H](NCC(N)=O)[C@H](C)C2)CC1 939811468 SVWOKAGECGRUBX-TZMCWYRMSA-N 306.410 -0.747 30 20 DBED CO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1NC(=O)Cn1ccnc1 942547491 COOPFFLPTRNPBQ-QJPTWQEYSA-N 305.338 -0.615 30 20 DBED N#Cc1c[nH]c(C(=O)N2CCC3(CC2)CN(C(=O)C(N)=O)C3)c1 944903293 ZGAHAOPLKOJLPJ-UHFFFAOYSA-N 315.333 -0.564 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)C1 944992955 ZEOOLWUJMFYUDM-RYUDHWBXSA-N 318.377 -0.124 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CCN(C(=O)CC(N)=O)CC1 945627028 ZOKVHJMZDJFXKH-WFASDCNBSA-N 323.393 -0.050 30 20 DBED C=CCN1CC[C@@H](N2CCC[C@@H](N(C)C(=O)C(N)=O)CC2)C1=O 948736727 BTEFTBNSKYQZHL-CHWSQXEVSA-N 322.409 -0.429 30 20 DBED C#CCN1C[C@H](CNC(=O)c2cc3c([nH]2)CCOC3)[C@@H](O)C1 958130665 HQYGZSDOFUUHIK-WFASDCNBSA-N 303.362 -0.257 30 20 DBED C#CCCN1C[C@@H](O)[C@H](CNC(=O)c2cc(CN(C)C)on2)C1 958200058 OGXDQHMCVGTSBH-IUODEOHRSA-N 320.393 -0.218 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H]2CN(C(=O)CN3CCCC3)C[C@@H]21 960874282 KGBCZPJINPDWBZ-MELADBBJSA-N 320.393 -0.320 30 20 DBED CC#CCN1C[C@H]2C(NC(=O)[C@@H]3CN(C(C)=O)CCO3)[C@@H]2C1 962440182 ZJJKVNADHYMHBU-MCIONIFRSA-N 305.378 -0.697 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC2(CN(C(=O)Cc3ncc[nH]3)C2)C1 965466655 OYSIWUFXQSJULR-NSHDSACASA-N 317.349 -0.448 30 20 DBED C=C1CCC(C(=O)N[C@H]2COC3(C2)CN(C(=O)C(N)=O)C3)CC1 965795367 IEGHRNTWWHCZTF-GFCCVEGCSA-N 321.377 -0.296 30 20 DBED C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1NC(=O)c1cnn[nH]1 966316595 JIJSUUYEZBWOAO-PELKAZGASA-N 313.321 -0.105 30 20 DBED C=CCN1CC([C@@H](C)NC(=O)C2CC3(C2)NC(=O)NC3=O)C1 970565472 AIIRWIOETQOGNG-SBTGLGLWSA-N 306.366 -0.403 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](N(C)CCN2C(=O)CCC2=O)C1 971211986 WCIUYCNVABTOSJ-VXGBXAGGSA-N 306.366 -0.172 30 20 DBED C#CCCN1CCO[C@@]2(CCN(C(=O)CCn3cnnn3)C2)C1 972612307 RJEHOXNNFCHBLJ-HNNXBMFYSA-N 318.381 -0.610 30 20 DBED C#CCN[C@H]1CCC[C@H](NC(=O)CN2CCC(=O)NC2=O)C1 981439265 CDMCCGKWKMPIEQ-RYUDHWBXSA-N 306.366 -0.422 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)c3ncn(C)n3)C[C@@H]2C1 986051042 ZSMXHWGLONGLHN-UTUOFQBUSA-N 316.365 -0.105 30 20 DBED N#Cc1cc(C(=O)NCC2CC(NC(=O)c3cnn[nH]3)C2)c[nH]1 992039750 QMLYRDCNQMOLGB-UHFFFAOYSA-N 313.321 -0.057 30 20 DBED Cn1nnc(CN[C@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)C2)n1 998851807 XGDMMXGTDLDIAG-NSHDSACASA-N 314.353 -0.196 30 20 DBED Cn1nnc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C#CC2CC2)n1 999411676 ZHGHZKAGOLCSJG-WOPDTQHZSA-N 314.349 -0.515 30 20 DBED N#CCN[C@H]1CCCN(C(=O)c2cn([C@H]3CCOC3)nn2)C1 1000646720 BGJRMPYNCVQZIR-RYUDHWBXSA-N 304.354 -0.043 30 20 DBED C=C[C@](C)(CC)C(=O)N1CC(CNC(=O)[C@H]2CNC(=O)N2)C1 1003948828 YAADLFLBLAGTNL-IAQYHMDHSA-N 308.382 -0.155 30 20 DBED C[C@H](C#N)C(=O)N1CCCC2(CN(C(=O)c3nnn(C)n3)C2)C1 1010789753 SZPRCIBIFUMUQG-SNVBAGLBSA-N 317.353 -0.566 30 20 DBED C=CCN1CC[C@H](N2CC[C@H](NC(=O)c3ncn(C)n3)C2)C1=O 1010880612 NRJVJFOFDBYBPM-RYUDHWBXSA-N 318.381 -0.594 30 20 DBED C#Cc1ccc(C(=O)NC2[C@@H]3CN(C(=O)CC(N)=O)C[C@@H]23)cc1 1013531574 BFQONGNFTBBFTP-CHWSQXEVSA-N 311.341 -0.270 30 20 DBED C#CCN1CCC(C(=O)N[C@@H]2CCN([C@@H]3CCNC3=O)C2)CC1 1016336915 OKNWKXHSUNUUEB-HUUCEWRRSA-N 318.421 -0.589 30 20 DBED N#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(S(N)(=O)=O)o1 1017706350 LOGMERJUFMBSOX-AOOOYVTPSA-N 324.362 -0.261 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@H](N[C@@H]3CCC(=O)NC3=O)C2)c1 1018683025 VLBKWNRTYQNLEA-WDEREUQCSA-N 315.333 -0.504 30 20 DBED C=CCn1cc(C(=O)N[C@H]2C[C@H](N[C@@H]3CCCNC3=O)C2)nn1 1020700561 USWPMUASSVPPFA-IJLUTSLNSA-N 318.381 -0.407 30 20 DBED C#CCN1CCC[C@H](CNC(=O)[C@@H]2CC(=O)N(CCOC)C2)C1 1023404073 QMCBDZSWFMGIMZ-HUUCEWRRSA-N 321.421 -0.057 30 20 DBED C=CCCN1CCCC[C@H]1CNC(=O)c1cn(CC(N)=O)nn1 1024814243 PXGAASRAINYULM-LBPRGKRZSA-N 320.397 -0.076 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ncccn2)C1 1025262792 OCQRDASNBYPNJF-GHMZBOCLSA-N 304.350 -0.010 30 20 DBED Cn1cnn(CCC(=O)N2C[C@@H]3CC[C@@H](NCC#N)[C@H]3C2)c1=O 1026315221 LMRJPSUVXYAVAR-RWMBFGLXSA-N 318.381 -0.678 30 20 DBED C#CCN1CC(CNC(=O)c2c3n(c(=O)n2C)CCCC3)C1 1031979434 WFJPDVGFHUBCPC-UHFFFAOYSA-N 302.378 -0.182 30 20 DBED C#CCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(=O)n(CCOC)n1 1032507638 KBARJJOWHDKCKJ-STQMWFEESA-N 316.361 -0.578 30 20 DBED Cc1nnc2n1C[C@@H](C(=O)N1C[C@@H]3C[C@H]1CN3CC#N)CC2 1032799470 YUKKCPQBFSHJJV-AVGNSLFASA-N 300.366 -0.042 30 20 DBED C#CCCN1CCCC[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 1034247289 MTCGJYHOHPLPIX-RYUDHWBXSA-N 306.366 -0.422 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)c2nnn(CC)c2CC)C1 1035510211 FOEGTFRKRGRQQR-LBPRGKRZSA-N 305.382 -0.076 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)CN2CCCC2)C1 1039764088 RCDUMWKTRNEVSY-DOMZBBRYSA-N 308.382 -0.679 30 20 DBED CCN(C)C(C)(C)C(=O)NC[C@]1(O)CCN(C(=O)[C@@H](C)C#N)C1 1040183173 XMYOBJSHBVPMDY-BLLLJJGKSA-N 324.425 -0.044 30 20 DBED C=CCOCC(=O)N1CC[C@](O)(CNC(=O)Cc2cnoc2)C1 1040641085 DWHSJMATFFIXLQ-HNNXBMFYSA-N 323.349 -0.501 30 20 DBED N#Cc1cncc(N2C[C@@H](O)[C@H](NC(=O)c3ccon3)C2)n1 1040942728 JZEPZWRTEKPYQO-GHMZBOCLSA-N 300.278 -0.684 30 20 DBED Cc1cc(C(=O)N[C@@H]2CN(c3ccnc(C#N)n3)C[C@H]2O)n[nH]1 1040949907 ZLAHEXBIIXWFFG-GHMZBOCLSA-N 313.321 -0.641 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(O)(CNC(=O)CSC)C1 1041359771 QXDBZBTXDTYRFU-LBPRGKRZSA-N 302.396 -0.634 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)c2ccncn2)C1 1042938570 ZOFNGDMLXGNVIV-UHFFFAOYSA-N 302.334 -0.561 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)c2cc(F)c[nH]2)C1 1043035685 ATJXUIZRJGNOGO-UHFFFAOYSA-N 323.324 -0.503 30 20 DBED C=CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)c2cncnc2)C1 1043571737 RYJULEBMKHXOBY-LLVKDONJSA-N 320.349 -0.629 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CN([C@H]2CCNC2=O)C1 1044038561 COFHGCVLKQEVGU-IHRRRGAJSA-N 307.394 -0.001 30 20 DBED CO[C@H](C(=O)NCC1(O)CN(C(=O)[C@H](C)C#N)C1)C1CCC1 1044089394 QWIYHBIBUVVXFA-PWSUYJOCSA-N 309.366 -0.349 30 20 DBED C=C[C@@H](C)[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2nc[nH]n2)C1 1044978802 AAIQLKSDTAYKRW-NXEZZACHSA-N 307.354 -0.434 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)N3CC(N)=O)nn1 1045861594 VVOPSKSCESWSMK-NEPJUHHUSA-N 318.381 -0.372 30 20 DBED C=C(C)CN1C[C@H](O)[C@@H](N(C)C(=O)CC2CS(=O)(=O)C2)C1 1047436020 RXVNJLLBZSUETO-STQMWFEESA-N 316.423 -0.499 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)C2CCC(C(N)=O)CC2)C1 1047436853 GEKSKRMDBCHRQK-WUCCLRPBSA-N 321.421 -0.195 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CN(C(C)C)CCO2)C1 1047499807 SBMFBDLQVBSSCO-KKUMJFAQSA-N 311.426 -0.215 30 20 DBED C=CCCOCC(=O)N(C)[C@H]1CN(C(=O)[C@H](C)OC)C[C@@H]1O 1049007802 RJIDZRVMJCDTIV-AVGNSLFASA-N 314.382 -0.356 30 20 DBED C[C@@H]1[C@@H](NC(=O)Cc2nc[nH]n2)CCN1c1cnc(C#N)cn1 1050597886 YXPBHFNADOBDBI-KOLCDFICSA-N 312.337 -0.208 30 20 DBED C=CCCn1cc(C(=O)NC[C@H]2COCCN2CCO)nn1 1051157131 HWZFOXRBGUGZSO-LBPRGKRZSA-N 309.370 -0.723 30 20 DBED C=CCN1CCN([C@H]2CCN(C(=O)[C@H]3CC(=O)N(C)C3)C2)CC1 1052035432 IWNWYCGRWMGJFA-GJZGRUSLSA-N 320.437 -0.131 30 20 DBED CC#CCN1CCC[C@H](NC(=O)Cn2c(O)nnc2O)CC1 1052899262 QNUQCMGCTIFEKE-NSHDSACASA-N 307.354 -0.317 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)[C@@H]1COCCN1C)CCO2 1053226673 JWKMTQXJVNMSRI-AWEZNQCLSA-N 307.394 -0.747 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)C[C@H]1CCC(=O)NC1)CCO2 1053286143 WLYJYJNYILDOSU-CQSZACIVSA-N 319.405 -0.161 30 20 DBED N#CCN1CC2(C1)CN(C(=O)c1ccc(C(N)=O)cc1)CCO2 1053528862 UGMUHAKGRBBZMV-UHFFFAOYSA-N 314.345 -0.164 30 20 DBED C=CCn1cc(C(=O)N[C@H]2COC3(C2)CN(CC#N)C3)nn1 1053950135 VMXOGGWETCNBFA-LLVKDONJSA-N 302.338 -0.439 30 20 DBED C[C@@H](C#N)C(=O)N(CCNC(=O)C(N)=O)Cc1ccccc1 1055101350 KGRXBNDEKCERAW-NSHDSACASA-N 302.334 -0.224 30 20 DBED Cn1cc(CC(=O)N2CCN(c3nccnc3C#N)CC2)cn1 1055741315 MBHWGVMNYBEDEE-UHFFFAOYSA-N 311.349 -0.027 30 20 DBED O=C(C#CC1CC1)N[C@]1(CO)CCCN(C(=O)c2cn[nH]c2)C1 1055937128 PBMBQHREHMPPHM-MRXNPFEDSA-N 316.361 -0.094 30 20 DBED N#Cc1ccc(N2C[C@H]3[C@H](NC(=O)[C@H]4CCC(=O)N4)[C@H]3C2)nc1 1056147752 QWWWRESGWVRQJV-ZAZJYDDPSA-N 311.345 -0.217 30 20 DBED C#CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)[C@@H]1CCCO1 1057582988 DNAZPWOPQWPBRK-STQMWFEESA-N 312.366 -0.859 30 20 DBED N#Cc1ccc(N2CCC[C@H](NC(=O)[C@H]3CCNC3=O)C2)nn1 1058220743 LLJPRXIRJXOEJT-RYUDHWBXSA-N 314.349 -0.431 30 20 DBED Cc1nonc1CC(=O)N[C@H]1CCN(c2cnc(C#N)cn2)C1 1058430235 MZMDBTPRKXHOJU-JTQLQIEISA-N 313.321 -0.023 30 20 DBED C#CCO[C@H](C)C(=O)NCCN(CCO)C(=O)c1ccncn1 1058503466 JSQCIBXCJZRRDK-GFCCVEGCSA-N 320.349 -0.934 30 20 DBED C=CCCCC(=O)N(CCO)CCNC(=O)[C@H](COC)OC 1058623440 SCICDKUUNJMZFB-ZDUSSCGKSA-N 316.398 -0.059 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)CC1CCN(C)CC1 1058659480 ZVFQIXKTBFLJEG-CYBMUJFWSA-N 324.425 -0.185 30 20 DBED CN(C[C@@H]1CCCN(C(=O)CC(N)=O)C1)c1cncc(C#N)n1 1058682224 XUNBBZSQYWTSDM-NSHDSACASA-N 316.365 -0.102 30 20 DBED Cc1nc(O)[nH]c1C(=O)N1CC[C@H](N=c2cc[nH]c(C#N)n2)C1 1058985632 QIBBUPNGLZGOLB-VIFPVBQESA-N 313.321 -0.166 30 20 DBED N#Cc1cncc(NC[C@@H]2CCN(C(=O)Cn3nccn3)C2)n1 1060925854 ZERBYQZCCQWVTM-NSHDSACASA-N 312.337 -0.100 30 20 DBED C[C@H](C#N)C(=O)N1CCC2(CC1)CN(C(=O)CCNC(N)=O)C2 1061007079 PGFXCJGDQSGZSF-LLVKDONJSA-N 321.381 -0.345 30 20 DBED CC#CCCCC(=O)NC[C@H]1COCCN1C(=O)CC(=O)NC 1061785987 VCPAKZPXEYLABB-ZDUSSCGKSA-N 323.393 -0.340 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)COCC1CC1 1061845189 DRLCDDHGIWOAHF-WCQYABFASA-N 309.366 -0.084 30 20 DBED N#Cc1ccc(N2C[C@@H]3C[C@H]2CN3C(=O)Cn2cncn2)nn1 1062490477 FXULBIFNACBIMR-RYUDHWBXSA-N 310.321 -0.571 30 20 DBED CN(C(=O)[C@H]1CNC(=O)N1)[C@@H]1CCN(c2ccc(C#N)nn2)C1 1063024970 MJSLAVOSBRQTOW-GHMZBOCLSA-N 315.337 -0.933 30 20 DBED C=CCOCC(=O)N1CCO[C@@H](CNC(=O)CCCOC)C1 1064976294 HXCQOVNHIKLCEB-ZDUSSCGKSA-N 314.382 -0.041 30 20 DBED C[C@@H]1CN(C(=O)Cn2ccnc2)C[C@@H]1N=c1cc[nH]c(C#N)n1 1067112683 HALGLBLHFFXWEI-NEPJUHHUSA-N 311.349 -0.074 30 20 DBED C[C@H]1C[C@@H](CNc2ccc(C#N)nn2)CN1C(=O)CC(N)=O 1068302690 JSITWOMBGHLWMT-UWVGGRQHSA-N 302.338 -0.127 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(C[C@H](NC(=O)CCCC(N)=O)CO2)C1 1068915368 JCZDSBMSOAYXRA-QWRGUYRKSA-N 322.365 -0.712 30 20 DBED C[C@H]1C[C@@H](Nc2nccnc2C#N)CN1C(=O)Cn1ncnn1 1069151686 IHGWNYJHXUREJD-VHSXEESVSA-N 313.325 -0.564 30 20 DBED C=CCOCC(=O)NC1(CNC(=O)c2cnon2)CCOCC1 1070036145 ADUQVMQNDACQCE-UHFFFAOYSA-N 324.337 -0.333 30 20 DBED Cc1nn[nH]c1C(=O)N1C[C@H](C)O[C@@]2(CCN(CC#N)C2)C1 1071196883 JWSCDPKKZHDJFA-IINYFYTJSA-N 304.354 -0.058 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H](C)[C@@H](NC(=O)COCC)C1 1071922521 UYEZUKYBUJVVFY-RYUDHWBXSA-N 309.366 -0.875 30 20 DBED C=CCCn1cc(C(=O)N2CC3(CCN(CC(N)=O)C3)C2)nn1 1073048897 MSUWSUUYHRIOFJ-UHFFFAOYSA-N 318.381 -0.513 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(C(=O)c2nnn(C)n2)C[C@@H]1C 1073819209 ATDNFZGRDZTULV-QWRGUYRKSA-N 322.369 -0.621 30 20 DBED C=CCCC(=O)N[C@@H](C)CCNC(=O)Cn1cnc(C(N)=O)n1 1076749517 ZARFELVGXYVWJE-JTQLQIEISA-N 322.369 -0.646 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3n[nH]cc3C2)C1 1077997208 VHDBYJBDICRWMZ-KCPJHIHWSA-N 302.378 -0.301 30 20 DBED C[C@@H](CCNC(=O)[C@@H](C)C#N)NC(=O)CN(C)S(C)(=O)=O 1078135124 QSMFDXQCYXBACC-UWVGGRQHSA-N 318.399 -0.952 30 20 DBED CCN(C(=O)C#CC1CC1)C1CN(C(=O)[C@H]2CC[C@H]2C(N)=O)C1 1079743067 WYHZQKVCMZJMJQ-KGLIPLIRSA-N 317.389 -0.029 30 20 DBED C=CCCOCC(=O)N(CC)C1CN(C(=O)Cn2ncnn2)C1 1079977983 BRASXKBUQKIQKF-UHFFFAOYSA-N 322.369 -0.675 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CN([C@@H]3CCNC3=O)C[C@H]2C)nn1 1080580001 DGGVVIZHGLQOLY-NQBHXWOUSA-N 318.381 -0.597 30 20 DBED C[C@H](C#N)C(=O)NC1(CO)CCN(C(=O)Cc2cc[nH]n2)CC1 1080980659 ZVOQEFJRASEPEA-LLVKDONJSA-N 319.365 -0.418 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cncnc2)C1 1081424249 CEFXSBRTHUFMIA-UONOGXRCSA-N 316.361 -0.315 30 20 DBED C=CCCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2cn(C)nn2)C1 1081452221 FDAREVOUIDSWBP-DGCLKSJQSA-N 321.381 -0.280 30 20 DBED CO[C@@H]1CN(CC(=O)N(C)C)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 1081499699 GDWUUPSUBLYYJC-CHWSQXEVSA-N 319.365 -0.596 30 20 DBED C#CCN1C[C@@H](NC(=O)C2CCC(C(N)=O)CC2)[C@H](OC)C1 1081883368 FAGOOUVVPPBVBD-NWINJMCUSA-N 307.394 -0.273 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CCCCN1C(=O)CS(C)(=O)=O 1081923961 IHRQXVHQNAIPRA-QWRGUYRKSA-N 315.395 -0.312 30 20 DBED C=CCn1cccc1C(=O)N[C@@H]1CN([C@H](C)C(N)=O)C[C@@H]1O 1083525588 ADLCDXGSSIRISO-WZRBSPASSA-N 306.366 -0.677 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCc3nnn(C)c3C2)C1 1083730600 IUIPOEASDNPMRC-LNSITVRQSA-N 317.393 -0.895 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]2CCN(Cc3nnnn3C)[C@H]2C1 1084906417 QLRQVADIIPLZGO-TUAOUCFPSA-N 303.370 -0.207 30 20 DBED C=CCN1CC[C@H](N[C@H]2C[C@H](CNC(=O)c3nc[nH]n3)C2)C1=O 1086508320 MXPQDPZLMRWDIZ-SRVKXCTJSA-N 318.381 -0.310 30 20 DBED C#CCN[C@@H]1CCCCCN(C(=O)CN2CCOCC2=O)C1 1088326938 BDJVNBKKRZQJCT-CQSZACIVSA-N 307.394 -0.161 30 20 DBED C#CCN1CC[C@H](NC(=O)Cc2ccc(C(N)=O)nc2)[C@H]1C 1088662618 PMXVHPKSVLDHCI-YPMHNXCESA-N 300.362 -0.065 30 20 DBED C=CCN1CC[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)[C@H]1C 1088927008 GGLMUQQUVYRZPH-PWSUYJOCSA-N 316.365 -0.164 30 20 DBED C[C@@H](C[C@@H](C)Nc1ccc(C#N)nn1)NC(=O)c1nnn(C)n1 1089450482 PEELFLLCHISBLC-BDAKNGLRSA-N 315.341 -0.119 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2cnn3c2CCCC3)[C@@H](O)C1 1090699397 CCXBYFZOYYVMCY-OCCSQVGLSA-N 303.366 -0.092 30 20 DBED C=CCOc1cccnc1C(=O)N[C@@H]1CCN(CCO)C[C@H]1O 1090716274 NAKSGOPQSZOMSP-CHWSQXEVSA-N 321.377 -0.196 30 20 DBED CSCC(=O)N[C@@H]1CCN(c2ccc(C#N)nn2)C[C@H]1O 1092149555 ZCJLWQMVGOJPTR-GHMZBOCLSA-N 307.379 -0.233 30 20 DBED C=C(C)CCN1CC2(C[C@@H](NC(=O)C(N)=O)c3nccn32)C1 1092391853 BMKDPIZLAJZLLZ-LLVKDONJSA-N 303.366 -0.094 30 20 DBED N#Cc1cncc(N2C[C@@H]3CCC[C@]3(NC(=O)CC(N)=O)C2)n1 1093073581 KIIINSJIYCETPF-BONVTDFDSA-N 314.349 -0.301 30 20 DBED N#Cc1nccc(N2C[C@H]3[C@H](NC(=O)CCn4ccnn4)[C@H]3C2)n1 1093260338 JRWSMMDOWUCOTR-HBYGRHMLSA-N 324.348 -0.419 30 20 DBED CCNC(=O)CC(=O)N[C@H]1[C@@H]2CN(c3ccc(C#N)nn3)C[C@@H]21 1093267067 UDSGZYFKWPPUAZ-HBYGRHMLSA-N 314.349 -0.575 30 20 DBED CN(C)C(=O)CC(=O)NC1[C@@H]2CN(c3ccnc(C#N)n3)C[C@@H]12 1093354597 AFSULJNNSHFEDP-NXEZZACHSA-N 314.349 -0.623 30 20 DBED C#CCNC(=O)CC(=O)NCCCN=c1cc(C)[nH]cc1C#N 1094372403 CRKLNRLWACUHNE-UHFFFAOYSA-N 313.361 -0.259 30 20 DBED N#Cc1nc(=NCCCNC(=O)CCN2CCCC2=O)cc[nH]1 1094441081 KTHOPWIPOVCZBM-UHFFFAOYSA-N 316.365 -0.299 30 20 DBED C#CCN1CCN(C(=O)c2conc2C)[C@@H]2CS(=O)(=O)C[C@@H]21 1094657226 QJSUSGADXREVBU-QWHCGFSZSA-N 323.374 -0.460 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)C3CCN(C)CC3)CC2=O)C1 1094777507 WQJPBSLSYUCQPI-AWEZNQCLSA-N 320.437 -0.085 30 20 DBED CCc1nc(C#N)cc(NCCCNC(=O)[C@H]2C[C@H]2C(N)=O)n1 1094784783 BDDKOGMJBYPDRQ-MNOVXSKESA-N 316.365 -0.050 30 20 DBED CCN(CCCNC(=O)[C@H]1COC(=O)N1)c1cnc(C#N)cn1 1095870602 ACHHFXZBEXCINH-LLVKDONJSA-N 318.337 -0.211 30 20 DBED N#Cc1ccc(N2CC[C@@H](NC(=O)C(=O)NCC3CC3)C2)nn1 1096417430 LFIJSFQQTNMANX-GFCCVEGCSA-N 314.349 -0.431 30 20 DBED CNC(=O)NCCC(=O)N1CC[C@H](Nc2cnc(C#N)cn2)C1 1096933057 XTOKENFROQAKJI-JTQLQIEISA-N 317.353 -0.320 30 20 DBED CNS(=O)(=O)CC(=O)N1CC[C@H](Nc2ncccc2C#N)C1 1096938621 DVYNKBSWXSWKMI-NSHDSACASA-N 323.378 -0.485 30 20 DBED Cc1cc(C#N)nc(N[C@H](C)CNC(=O)[C@H]2CCC(=O)N2)n1 1097722123 SSMVEAAUGKFEIH-MWLCHTKSSA-N 302.338 -0.148 30 20 DBED CC(=O)N[C@H](C)C(=O)N1CC[C@H](CN=c2cc[nH]c(C#N)n2)C1 1098495895 FAKUTSOINNUAPD-ZYHUDNBSSA-N 316.365 -0.445 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)COCCOC)[C@@H](O)C1 1099747043 SDVNFJRDDVEWIP-KGLIPLIRSA-N 316.398 -0.597 30 20 DBED N#CCN1CC[C@H](NC(=O)CNC(=O)c2ccoc2)[C@@H](O)C1 1099847258 JJJZVAXHOVIMDI-RYUDHWBXSA-N 306.322 -0.916 30 20 DBED C#CCC1(C(=O)N[C@H]2CCN(CCCO)C[C@H]2O)CCOCC1 1099874791 QVXRHAYGOVVSAA-LSDHHAIUSA-N 324.421 -0.260 30 20 DBED Cc1cocc1C(=O)N[C@@H]1CCN(CC(=O)NCC#N)C[C@H]1O 1099949944 WPQNMZSNLRPECA-CHWSQXEVSA-N 320.349 -0.607 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)C2(CN(C)C)CC2)[C@H](O)C1 1099971977 PBMGNSMPUNWUFX-HUUCEWRRSA-N 323.437 -0.471 30 20 DBED CC1(CCC(=O)N[C@H]2CCN(CC(=O)NCC#N)C[C@@H]2O)CC1 1100060836 YUNVPNSYBMFLJB-STQMWFEESA-N 322.409 -0.242 30 20 DBED C#CCN1CC[C@@H](NC(=O)CCCC(=O)NC(C)C)[C@@H](O)C1 1100079377 YPBONRJRWSIFMA-KGLIPLIRSA-N 309.410 -0.134 30 20 DBED N#CCNC(=O)CNC1CC(CNC(=O)c2ccnc(O)c2)C1 1100239140 HXXRTZHKCQENMM-UHFFFAOYSA-N 317.349 -0.475 30 20 DBED CN1CC[C@H](C(=O)NCCN(C)c2ccc(C#N)nc2)C1=O 1100273359 PZICNLCDYCKQIT-CYBMUJFWSA-N 301.350 -0.016 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)c2csnn2)C1 1100541551 OOKPIZKJYLRKPE-UHFFFAOYSA-N 307.379 -0.615 30 20 DBED CCN(CCNC(=O)C[C@H]1CCNC1=O)c1nccnc1C#N 1100635271 IYVPXIPFCBCYBW-LLVKDONJSA-N 316.365 -0.183 30 20 DBED N#CCNC(=O)CNC1CC(CNC(=O)Cc2ncc[nH]2)C1 1100788767 GLIPKBRCGZHBOI-UHFFFAOYSA-N 304.354 -0.924 30 20 DBED CN(CCN=c1cc[nH]cc1C#N)C(=O)CN1CCCC1=O 1101495670 UYOQMZPVLYADRN-UHFFFAOYSA-N 301.350 -0.132 30 20 DBED C=CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)[C@H]2COC(=O)N2)C1 1101927501 IAALDQUDVJQNFC-IJLUTSLNSA-N 324.381 -0.919 30 20 DBED CN(CCNc1cncc(C#N)n1)C(=O)CCc1cnn[nH]1 1101960305 MRADULFHXZBXQJ-UHFFFAOYSA-N 300.326 -0.031 30 20 DBED C=CCCN1C[C@@H](C)[C@H](CNC(=O)CNC(=O)CNC(C)=O)C1 1102097706 ASGUNFSCPOIPCR-TZMCWYRMSA-N 324.425 -0.501 30 20 DBED CN(CCN(C)c1ccnc(C#N)n1)C(=O)CNC(=O)C1CC1 1105334096 WUJXBLFHBVJQNW-UHFFFAOYSA-N 316.365 -0.231 30 20 DBED C[C@@H](CC(N)=O)C(=O)N(C)CCN(C)c1cnc(C#N)cn1 1105521542 NMEFQEIRRYGYJS-JTQLQIEISA-N 304.354 -0.246 30 20 DBED CC(C)N(C)CC(=O)NC[C@H](O)CNc1ccc(C#N)nn1 1105868552 BMWKASVPDHFPTE-GFCCVEGCSA-N 306.370 -0.423 30 20 DBED COCCOCCC(=O)NC[C@@H](O)CNc1nccnc1C#N 1105881159 SGOUGQFLHKJLSC-LLVKDONJSA-N 323.353 -0.710 30 20 DBED C[C@H](CC(=O)NC[C@@H](O)CNc1ccc(C#N)cn1)NC(N)=O 1105972019 ASDIIZHMMSGMTH-KOLCDFICSA-N 320.353 -0.711 30 20 DBED C[C@@]1(C(=O)NC[C@H](O)CNc2ncccc2C#N)CNC(=O)C1 1106027484 INROJKFUBWXFNH-ABAIWWIYSA-N 317.349 -0.632 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)[C@H](OC)C2CC2)C[C@H]1C 1106071318 BZEXPFCDWJKMRV-XNRPHZJLSA-N 321.421 -0.155 30 20 DBED Cc1c[nH]c(C(=O)NC[C@H](O)CNc2cncc(C#N)n2)n1 1106134809 GRKOQJCTBXWULO-SNVBAGLBSA-N 301.310 -0.417 30 20 DBED Cc1c[nH]c(C(=O)NC[C@@H](O)CNc2ccc(C#N)nn2)n1 1106135278 QAHIDXUAWLUKIA-JTQLQIEISA-N 301.310 -0.417 30 20 DBED C[C@@H](CCNc1ccc(C#N)nn1)NC(=O)[C@H]1CCC(=O)N1 1106271166 ICSIXENLAPCVDK-GXSJLCMTSA-N 302.338 -0.066 30 20 DBED CCN(CCNc1cncc(C#N)n1)C(=O)c1nnn(C)n1 1106918782 MQXIWGNIZKIONY-UHFFFAOYSA-N 301.314 -0.554 30 20 DBED C[C@@]1(C(=O)NC/C=C\CNc2cnc(C#N)cn2)CNC(=O)C1 1107422671 UNFNOKCJJXLCIR-GWQWAINWSA-N 314.349 -0.041 30 20 DBED CNC(=O)NCC(=O)NC/C=C\CN=c1cc[nH]cc1C#N 1107571466 DTVDOLFYOSDRCM-IHWYPQMZSA-N 302.338 -0.612 30 20 DBED C#Cc1cncc(C(=O)NC[C@]2(C)CN(CC(N)=O)CCO2)c1 1108203166 XGZPFKRBLBYZCM-MRXNPFEDSA-N 316.361 -0.631 30 20 DBED C[C@@H](O)CN1CC(N2C[C@@H](NC(=O)C#CC(C)(C)C)CC2=O)C1 1108544646 HSTLHZIAIBKCIV-OLZOCXBDSA-N 321.421 -0.182 30 20 DBED C#CCCN1CC(N2C[C@H](NC(=O)[C@H](COC)OC)CC2=O)C1 1108569462 JBSIFUZDXSFVSB-OCCSQVGLSA-N 323.393 -0.928 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCN(C)C 1109673081 BVMFAHDWSPTMCR-RDBSUJKOSA-N 306.410 -0.591 30 20 DBED CC(=O)N[C@H](C)C(=O)NCC1(Nc2ccc(C#N)nn2)CC1 1110056447 VZJRYAVXLLVWNW-SECBINFHSA-N 302.338 -0.066 30 20 DBED COCC(=O)NCCN1CCC(N=c2cc[nH]c(C#N)n2)CC1 1111312046 KLTIPFSXDKFFQH-UHFFFAOYSA-N 318.381 -0.591 30 20 DBED N#Cc1nc(=NCCN(CCO)C(=O)Cc2ccc[nH]2)cc[nH]1 1111478550 GGHFPHQPNGJNGU-UHFFFAOYSA-N 314.349 -0.426 30 20 DBED Cc1nonc1C(=O)N(CCO)CCNc1nccnc1C#N 1111486769 GAPIZQWBYNQTBS-UHFFFAOYSA-N 317.309 -0.414 30 20 DBED CC[C@@H](C(=O)N(CCO)CCN=c1cc[nH]cc1C#N)N(C)C 1111492756 OGIYREWTXYGZLM-HNNXBMFYSA-N 319.409 -0.052 30 20 DBED CN(CCCN(C)c1ccc(C#N)nn1)C(=O)CCNC(N)=O 1112089829 AOLNUWCJVFHEHR-UHFFFAOYSA-N 319.369 -0.309 30 20 DBED CC(=O)NCC(=O)N1C[C@H](C)[C@H](Nc2ccc(C#N)nn2)C1 1112295876 ROGYYQSCKORYGY-JOYOIKCWSA-N 302.338 -0.257 30 20 DBED C=CCOCC(=O)N1CCN([C@@H](C)C(=O)NC(=O)NC)CC1 1112703976 KUGHTUFXQVOJBV-NSHDSACASA-N 312.370 -0.823 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)c2csnn2)CC1 1113167286 GZGNISLDKHPTNV-SNVBAGLBSA-N 309.395 -0.013 30 20 DBED CC(=O)N[C@@H](C)C(=O)NC[C@H](C)N(C)c1cncc(C#N)n1 1113507843 AJIVZOTXMBLJGJ-UWVGGRQHSA-N 304.354 -0.186 30 20 DBED C[C@H](CNC(=O)C1(C(N)=O)CC1)N(C)c1nccnc1C#N 1113845797 QDFMWTNSZBTQOL-SECBINFHSA-N 302.338 -0.445 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)N(C)c1ccncc1C#N 1113869696 QVNILTARPKIVNS-ONGXEEELSA-N 302.338 -0.424 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)CCCCOC)[C@@H]2C1 1114012606 IMNPZTIENXKMDA-CHWSQXEVSA-N 307.394 -0.401 30 20 DBED C=CCOCC(=O)N[C@H]1[C@@H]2CN(CC(=O)NC(=O)NCC)C[C@@H]21 1114055521 YDFDBXZZBYFDRS-YABSGUDNSA-N 324.381 -0.919 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)[C@H]3C[C@@H](C)CC(=O)N3)[C@@H]2C1 1114298357 IZCSCALJGLZFFN-AAVRWANBSA-N 319.405 -0.403 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)Cc3cscn3)[C@H]2C1 1114933179 QSAOKHJSGPGUDN-RYUDHWBXSA-N 318.402 -0.519 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)C3(C)CCOCC3)[C@H]2C1 1114978744 ZSUWRACQDLWJRZ-STQMWFEESA-N 319.405 -0.401 30 20 DBED CC#CCN1C[C@H]2[C@H](NC(=O)CC[C@@H]3NC(=O)NC3=O)[C@H]2C1 1115215873 AUEGNVCXAXXOEV-SRRSOLGSSA-N 304.350 -0.956 30 20 DBED CC(C)(C)NS(=O)(=O)CC(=O)NC1[C@@H]2CN(CC#N)C[C@@H]12 1115254222 KZIMCSVFKKFVAE-NXEZZACHSA-N 314.411 -0.726 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCC(NC(C)=O)CC1)[C@H]1CCCO1 1117544966 SQHXKVHLQFITHA-UONOGXRCSA-N 321.377 -0.590 30 20 DBED CCc1nc(C#N)cc(N[C@@H](CO)CNC(=O)[C@H]2CCCO2)n1 1121183019 HSBHVULEROXXPW-VXGBXAGGSA-N 319.365 -0.021 30 20 DBED N#Cc1cnc(N[C@H](CO)CNC(=O)Cc2ccc[nH]2)cn1 1121622028 FGBGZMUEAKHJHT-LBPRGKRZSA-N 300.322 -0.192 30 20 DBED CC(=O)NCC(=O)NCCNCc1ccc(OCC#N)cc1 1122667960 PDSDMJFYFAGSAR-UHFFFAOYSA-N 304.350 -0.069 30 20 DBED N#Cc1nc(=N[C@H](CO)CNC(=O)CCc2cnc[nH]2)cc[nH]1 1122746681 AXOYHLZWJNMITK-NSHDSACASA-N 315.337 -0.985 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)c1cn[nH]c1 1124179910 LKHIXDVSTWVEAJ-SNVBAGLBSA-N 301.310 -0.962 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)c1cncc(F)c1 1125577021 DZPYFRXMTAEZEZ-UHFFFAOYSA-N 323.328 -0.448 30 20 DBED CNC(=O)NCC(=O)NCCNCc1cc(C#N)ccc1F 1128790766 ZQPNXNHOUAPVJP-UHFFFAOYSA-N 307.329 -0.168 30 20 DBED C#CCN1CC[C@H](c2n[nH]cc2CNC(=O)CC(=O)NC)C1 1130381129 QOVAOXHPGPDFPN-NSHDSACASA-N 303.366 -0.416 30 20 DBED CC#CCN1CCNC(=O)CCN(C(=O)[C@@H](C)CC(N)=O)CC1 1131373890 CYZVXKJFWQWGAH-ZDUSSCGKSA-N 322.409 -0.828 30 20 DBED Cc1nccc(CCC(=O)NCCNCC(=O)NCC#N)n1 1131759367 AVEJPOPLYMEKLZ-UHFFFAOYSA-N 304.354 -0.937 30 20 DBED C[C@@H]1CC[C@H](NC(=O)c2nc[nH]n2)CN1CC(=O)NCC#N 1132368189 KPNCZMUXGQIMFW-ZJUUUORDSA-N 305.342 -0.973 30 20 DBED C[C@H]1CCN(C(=O)c2cn(C)c(=O)nc2O)C[C@@H]1CNCC#N 1133314578 OOTVOFUXMBLWQS-QWRGUYRKSA-N 319.365 -0.303 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)Cc1cccnc1C 1133804378 PPUWTHUBVHKQKI-CYBMUJFWSA-N 302.378 -0.224 30 20 DBED C#CCNC(=O)CNCCNC(=O)CCC(=O)NC1CCCC1 1135706728 BKTSHBOLQCXIQC-UHFFFAOYSA-N 322.409 -0.719 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@H](C)Cc1cnn(C)c1 1136012048 JVIMRYHGGRLMIN-GFCCVEGCSA-N 305.382 -0.946 30 20 DBED COCC#CCN1CCC2(C1)CN(C(=O)c1nnn(C)c1C)C2 1147282047 VNDCAFICQOVXCW-UHFFFAOYSA-N 317.393 -0.079 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)C(C)(C)N2CCOCC2)C1 1150461415 CMNQXQCWWZAPAI-HNNXBMFYSA-N 323.437 -0.063 30 20 DBED CC#CCN1CCCO[C@H](CNC(=O)CCN2CCOCC2)C1 1150461803 ISHOACGLLCILDW-MRXNPFEDSA-N 323.437 -0.061 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)Cc1ccnn1C 1153040628 AIFTWYGEJIRGGN-CYBMUJFWSA-N 319.409 -0.461 30 20 DBED C=CCNC(=O)CN(CC)[C@H](C)CNC(=O)[C@]1(C)CCNC1=O 1155211563 UGPWSIHPOZSTOT-MLGOLLRUSA-N 324.425 -0.359 30 20 DBED CC#CCN(CC)[C@H](C)CNC(=O)CC[C@@H]1NC(=O)NC1=O 1156797544 JSNVGSGSLKBYKZ-NEPJUHHUSA-N 308.382 -0.176 30 20 DBED N#CCNC(=O)CNCCCNC(=O)c1ccnn1C(F)F 1158880029 GJBHVNVBYKJKGO-UHFFFAOYSA-N 314.296 -0.373 30 20 DBED CC(C)c1nccn1CC(=O)NCCCNCC(=O)NCC#N 1167472463 ZGLVZYQZCLARLX-UHFFFAOYSA-N 320.397 -0.258 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)c1cn(CC=C)nn1 1167847171 GLPFVTWFJZPPGE-GFCCVEGCSA-N 318.381 -0.689 30 20 DBED C=CCCn1cc(C(=O)NCCCNC[C@H](O)COC)nn1 1167990980 DUIGCSRJUOOMEB-LBPRGKRZSA-N 311.386 -0.429 30 20 DBED N#CCNC(=O)CNCCCNC(=O)COc1ccc(F)cc1 1175793715 ADWYDYVHQGMRTB-UHFFFAOYSA-N 322.340 -0.060 30 20 DBED COCC#CCNCCCNC(=O)[C@H]1CCc2nncn2C1 1176856085 HQJZCQKUIBPEKJ-ZDUSSCGKSA-N 305.382 -0.414 30 20 DBED C#CCC1(C(=O)N2CC[C@@H](NCc3nc(=O)n(C)[nH]3)C2)CCC1 1183185805 VEHHVCUUWXWKOA-GFCCVEGCSA-N 317.393 -0.008 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)C(C)(C)N(C)CC)C1 1183760319 TXVHPWWXLQTQIE-CYBMUJFWSA-N 308.426 -0.343 30 20 DBED C#CCNC[C@@H]1CN(C(=O)CN(C)C(C)=O)CC12CCOCC2 1186265537 RTGLCXBJQQQHAO-OAHLLOKOSA-N 321.421 -0.057 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)c2nc3ncccn3n2)C1 1186471860 DDLLVJITPMLXEE-GFCCVEGCSA-N 314.349 -0.422 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)CCn2cnccc2=O)C1 1186673746 WDLOQTUDOGJXPQ-CQSZACIVSA-N 318.377 -0.526 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@H]2CN(CCOCCO)C[C@H]21 1187866078 YLIPEJFIVAKLSU-QLFBSQMISA-N 310.394 -0.434 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@H]1CCN(C(=O)CN(C)C(C)=O)C1 1188974644 SKJDIMWAACKVFQ-OCCSQVGLSA-N 322.409 -0.865 30 20 DBED CCCC(=O)NCC(=O)N1CC[C@@H](N(C)CC(=O)NCC#N)C1 1189169542 ISSPJGGAUNGJMP-GFCCVEGCSA-N 323.397 -0.925 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)Cc2cnn(C)c2)C1 1189250974 KXKDCLNRJHBHDQ-CQSZACIVSA-N 317.393 -0.755 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2nnn(C)c2C)C1 1189500528 UWCKCAOMPBIBND-GFCCVEGCSA-N 318.381 -0.981 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](N(C)[C@@H]2CCCNC2=O)C1 1190127892 GOVDLEAUZWQWMR-ZIAGYGMSSA-N 307.394 -0.162 30 20 DBED CC#CCN(C)[C@H]1CCN(C(=O)CCn2ncn(C)c2=O)C1 1191507260 JQWUHYUMKRETDS-ZDUSSCGKSA-N 305.382 -0.472 30 20 DBED C=CCCC(=O)N[C@@H]1CN(C[C@@H](C)CS(C)(=O)=O)C[C@H]1O 1191645031 DEMPSXMIRDAODD-JHJVBQTASA-N 318.439 -0.205 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(Cc2ccn(C)c(=O)c2)C[C@H]1O 1191806803 DNEGREQOLNLTBM-ZIAGYGMSSA-N 321.377 -0.751 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(CCCCCF)C[C@H]1O 1192395287 BRFZPMGNUJISAJ-CHWSQXEVSA-N 313.373 -0.573 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCN(C)[C@@H]2C)C1 1193084884 DKSARNSTQXPKMR-KBUPBQIOSA-N 309.410 -0.862 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)CS(=O)(=O)CCCCC)C1 1197723983 MPADFHZMGLYISA-CHWSQXEVSA-N 316.423 -0.614 30 20 DBED Cc1ccccc1C(=O)NCC(=O)N[C@@H]1CN(CC#N)C[C@H]1O 1198459381 WHKPNMXFVALFTP-ZIAGYGMSSA-N 316.361 -0.590 30 20 DBED C=CCC[C@H](C)N1C[C@@H](O)[C@H](NC(=O)c2cn(C)c(=O)n2C)C1 1199156171 ZIGGAYMCLYKGPS-OUCADQQQSA-N 322.409 -0.147 30 20 DBED C=CCNC[C@@H]1CN(C(=O)CN(C)C(=O)COC)CCCO1 1200641465 CRQNLASSMAVVIW-CYBMUJFWSA-N 313.398 -0.516 30 20 DBED C=CCn1cc(C(=O)N2CCCO[C@H](CNCC#N)C2)nn1 1201584810 GZJXLENCDCZHEX-GFCCVEGCSA-N 304.354 -0.192 30 20 DBED C#CCNC[C@@H]1CN(C(=O)CCN2CCCC2=O)CCCO1 1202087894 OPLQFOANIJDPJM-CQSZACIVSA-N 307.394 -0.161 30 20 DBED COCC#CCN[C@@H]1C[C@H](NC(=O)CNC(C)=O)C12CCC2 1202351086 BPLVLKSUNKYERY-KGLIPLIRSA-N 307.394 -0.211 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CNCCN2C(=O)CNC2=O)CC1 1204811363 JABBLWKRLJIRKN-NSHDSACASA-N 321.381 -0.474 30 20 DBED C=CCCCN1C[C@@H](NC(=O)Cn2ncn(C)c2=O)[C@H](C)C1 1207771091 GKJMMDJQPUMFRZ-CHWSQXEVSA-N 307.398 -0.016 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)c2cncnc2O)C1 1208392776 FBFNNIKEUCQKJA-NSHDSACASA-N 317.349 -0.874 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)c2ccn(C)n2)C1 1211070858 FMASXGSTHSPKDR-GFCCVEGCSA-N 305.382 -0.084 30 20 DBED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)[C@H](F)C(C)C 1213300123 LCHSWPVKICEROZ-NQBHXWOUSA-N 314.361 -0.564 30 20 DBED C#CCN1C[C@@H](NC(=O)CCNC(=O)[C@@H]2CCCO2)[C@H](OC)C1 1213985758 LQHHUXCTMSRCRE-HZSPNIEDSA-N 323.393 -0.880 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2COCCN2C)C[C@H]1C 1214454606 VZFLJTRVEJWMFQ-MGPQQGTHSA-N 324.425 -0.944 30 20 DBED C#CCOCCC(=O)N1C[C@@H](N[C@H]2CCC(=O)NC2=O)[C@H](C)C1 1214608641 CVTUXKHGFNLHGP-FRRDWIJNSA-N 321.377 -0.732 30 20 DBED CC(C)C[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@@H]1O 1220382754 NBCNXIJKWXJNJN-SYQHCUMBSA-N 322.409 -0.530 30 20 DBED CC#CCN1CC[C@@H]2CN(C(=O)[C@H](C)NS(C)(=O)=O)[C@@H]2C1 1221834282 RSHGODCYWIBOMF-YNEHKIRRSA-N 313.423 -0.520 30 20 DBED Cc1nc[nH]c1C(=O)NCC1CCN(CC(=O)NCC#N)CC1 1225694147 HLIFUMZXSZLFDN-UHFFFAOYSA-N 318.381 -0.200 30 20 DBED C[C@@H](C#N)C(=O)NC1CCN(CCN(C)S(C)(=O)=O)CC1 1226626231 VZFDGFBTWFTMQM-NSHDSACASA-N 316.427 -0.382 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)Cc2[nH]cnc2C)CC1 1230124705 KONPWARYAWXELX-UHFFFAOYSA-N 317.393 -0.409 30 20 DBED C#CCN[C@@H]1CCCC[C@H]1NC(=O)CNC(=O)Cn1cncn1 1230262109 HUUWDVKGFJREGB-CHWSQXEVSA-N 318.381 -0.956 30 20 DBED CN(C[C@@H]1CCN1CC(=O)NCC#N)C(=O)C1=CCOCC1 1233837065 LFGQZNGDPDYFBY-ZDUSSCGKSA-N 306.366 -0.494 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C[C@H]1CCN1CCS(C)(=O)=O 1234225930 QADLHWJYZOTTGF-CHWSQXEVSA-N 316.423 -0.398 30 20 DBED C=CCN(CC=C)C(=O)C(=O)N1C[C@H](C)O[C@H](C(=O)OC)C1 1261515399 GWAWSWHLVWFIAH-RYUDHWBXSA-N 310.350 -0.024 30 20 DBED C=C(C)CN(CC)C(=O)C(=O)NC[C@H]1CCS(=O)(=O)C1 1322190437 MNKYHTIXVUMJDJ-LLVKDONJSA-N 302.396 -0.038 30 20 DBED CC(C)(C)NC(=O)CCNC(=O)C(=O)N1CCO[C@@H](C#N)C1 1322740031 JNGMOOJCQWXSJY-JTQLQIEISA-N 310.354 -0.842 30 20 DBED C=CCCC[C@H](C)NC(=O)C(=O)NC[C@H]1CC[C@@H](C(N)=O)O1 1322821494 WPXDCDYIILEFKX-TUAOUCFPSA-N 311.382 -0.004 30 20 DBED C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)cn1)C(=O)NCCF 1324239494 HUNVNZSLELAAPY-MRVPVSSYSA-N 307.285 -0.518 30 20 DBED CO[C@@]1(CNC(=O)C(=O)Nc2ccc(C#N)cn2)CCOC1 1324513847 OFFZSVMXOSHAMS-CQSZACIVSA-N 304.306 -0.187 30 20 DBED Cc1c([C@H](C)NC(=O)C(=O)N2CCO[C@H](C#N)C2)cnn1C 1325662907 MXPGAAPHQVFQEU-GXSJLCMTSA-N 305.338 -0.343 30 20 DBED C#CCCCCNC(=O)C(=O)N1CCN(C(=O)N(C)C)CC1 1326027968 RLRYUYIOHOTHKM-UHFFFAOYSA-N 308.382 -0.268 30 20 DBED C#C[C@H](NC(=O)C(=O)NC[C@H](C)C(=O)OC(C)C)[C@H]1CCCO1 1327045319 JSDNDFCAOIHNOQ-RWMBFGLXSA-N 324.377 -0.013 30 20 DBED N#CC1(C(=O)NCCCN2CCC[C@H]2C(N)=O)CCOCC1 1329538161 ROHPDBUNRJFISE-LBPRGKRZSA-N 308.382 -0.237 30 20 DBED CCNC(=O)N1CC[C@@H](NC(=O)C(=O)NCC2(CC#N)CC2)C1 1330210942 UWHYGYVOCSQSLL-LLVKDONJSA-N 321.381 -0.284 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N1CC[C@H](CC(N)=O)C1 1333502784 DRZXXLRGGYLTLW-GFCCVEGCSA-N 309.366 -0.791 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)c2[nH]c(C)cc2C)CC1 1336050321 XYQAOEQAGGWGPB-UHFFFAOYSA-N 324.406 -0.143 30 20 DBED C#CCC[C@H](O)CNC(=O)NCCN/C(O)=C1/N=CC=CC1=O 1339811550 QELRMCCJZCNVSO-IVPXEPLCSA-N 320.349 -0.414 30 20 DBED C#C[C@@H](C)N(C)c1nnc(C2=NNC(=O)C2)n1C[C@@H]1CCOC1 1345284181 OAQVLJKZEOTFDC-MNOVXSKESA-N 316.365 -0.004 30 20 DBED CC(C)(C)C[C@@H](O)CNC(=O)Cn1cc(C#N)c(O)nc1=O 1362164191 XYMQFLRNXDZKFP-SNVBAGLBSA-N 308.338 -0.266 30 20 DBED CN(CCN1CCCC1)C(=O)Cn1cc(C#N)c(O)nc1=O 1362218474 DQSXWVSNRMOHBE-UHFFFAOYSA-N 305.338 -0.625 30 20 DBED CN(C[C@@H](O)CNCc1cn(C)nn1)C(=O)c1cc(C#N)c[nH]1 1369459394 JHDRLUJZXTYSRW-LBPRGKRZSA-N 317.353 -0.762 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@@H](CNC(=O)C[C@H]2CCC(=O)N2)C1 1371678899 SZNQLBXVIJFSQN-NNYUYHANSA-N 306.366 -0.174 30 20 DBED C[C@@H](C#N)C(=O)NCC1CN(C(=O)[C@@H](C)S(C)(=O)=O)C1 1374896700 BLAJCGBCGOMDQL-DTWKUNHWSA-N 301.368 -0.846 30 20 DBED CC(C)NC(=O)NC(=O)[C@@H](C)N1CC(NC(=O)[C@@H](C)C#N)C1 1377872210 LZIBEOVJJJQGGS-VHSXEESVSA-N 309.370 -0.431 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](C)CNCC(=O)Nc1cnccn1 1378561819 UHECZQKFJWCQLI-MNOVXSKESA-N 304.354 -0.083 30 20 DBED COC[C@@H](O)CNC[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCO1 1393578595 LSHNTTCYIGUTAK-STQMWFEESA-N 322.365 -0.676 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)[C@@H]2CCS(=O)(=O)C2)CC1 1393819038 QEYSGDLKFGCQII-NXEZZACHSA-N 313.379 -0.654 30 20 DBED CNC(=O)NC(=O)[C@@H](C)N(C)C1CCN(C(=O)[C@@H](C)C#N)CC1 1394386538 JJPXDQWKOPLAKV-WDEREUQCSA-N 323.397 -0.087 30 20 DBED C[C@@H](CN(C)C(=O)Cn1cncn1)NC(=O)c1ccc(C#N)[nH]1 1395682110 XGYKIZZRVOYFEQ-JTQLQIEISA-N 315.337 -0.245 30 20 DBED CNC(=O)NCC(=O)N1CCC([C@H](C)NC(=O)[C@@H](C)C#N)CC1 1398414338 XKJMDEZSEXQSCB-QWRGUYRKSA-N 323.397 -0.182 30 20 DBED N#Cc1cn(CC(=O)N2CCC[C@H]2[C@H]2CCCO2)c(=O)nc1O 1412108889 JMMOFKZPOGLRQU-NWDGAFQWSA-N 318.333 -0.009 30 20 DBED CN(C[C@H](O)CNC(=O)[C@H]1CCOC1)C(=O)c1cc(C#N)c[nH]1 1413262004 XVTVPMLDNGYNAY-NWDGAFQWSA-N 320.349 -0.528 30 20 DBED C[C@@H](C#N)C(=O)NC1CC(N(C)C(=O)c2cc(=O)n(C)cn2)C1 1413573242 TXTBNBDCLJRNMT-WHXUTIOJSA-N 317.349 -0.341 30 20 DBED CCN(CCNC(=O)c1cc(C#N)c[nH]1)C(=O)Cn1cncn1 1415657960 FYRWEKCRLVJIGE-UHFFFAOYSA-N 315.337 -0.244 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)NCc1nc2ncccn2n1 1424252901 UJRKMSHGHZLUTH-SECBINFHSA-N 309.355 -0.307 30 20 DBED CCN1CCO[C@@H](C(=O)N[C@H]2C[C@@H](CNC(=O)[C@H](C)C#N)C2)C1 1429110632 CIBQUWJFALKWBI-YIYPIFLZSA-N 322.409 -0.122 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CN(C)C(=O)CCNC(N)=O)CC1 1430110488 QCNDSNXIEZWEKT-LLVKDONJSA-N 323.397 -0.099 30 20 DBED C[C@H](CNC(=O)CCCS(C)(=O)=O)CNC(=O)[C@H](C)C#N 1432984947 YDGPAILIULVWKV-GHMZBOCLSA-N 317.411 -0.161 30 20 DBED N#Cc1cn(CC(=O)N2C[C@H]3CC[C@H]2[C@H](O)C3)c(=O)nc1O 1434368314 DZQBGCPLHUMRRO-INTQDDNPSA-N 304.306 -0.808 30 20 DBED COCc1ccc(C(=O)NC[C@@H](O)CNC(=O)[C@H](C)C#N)o1 1452383370 KHANVVLHIWOXSU-ZJUUUORDSA-N 309.322 -0.207 30 20 DBED N#C[C@@]1(F)CCN(C(=O)NCc2nnc3c(=O)[nH]ccn23)C1 1471377319 FQXHMXWAOLLDRH-LBPRGKRZSA-N 305.273 -0.435 30 20 DBED C[C@H](C#N)C(=O)N(C)CCN1CCN(C(=O)[C@H]2CCOC2)CC1 1497858416 PSBLMYAJOIXFCZ-KGLIPLIRSA-N 322.409 -0.215 30 20 DBED N#CCNC(=O)CNC[C@H]1CCCN1C(=O)c1ccnc(O)c1 1499887152 GSEXVKFAKYWMNX-GFCCVEGCSA-N 317.349 -0.379 30 20 DBED CC[C@@H](NC(C)=O)C(=O)NC1CN(C(=O)c2c[nH]c(C#N)c2)C1 1530667021 RVWYSGBGXAKHMW-CYBMUJFWSA-N 317.349 -0.258 30 20 DBED C[C@@H](C#N)C(=O)N1CC(CNC(=O)[C@H](C)CS(C)(=O)=O)C1 1530795556 NBAADTVDAYWYDQ-VHSXEESVSA-N 315.395 -0.599 30 20 DBED C#CCNC(=O)CN[C@@H](C)CCNC(=O)c1cc(C#N)c[nH]1 1567211125 HJNJMMZRNAYHEB-NSHDSACASA-N 301.350 -0.266 30 20 DBED COC(=O)CCN(CC#N)C(=O)c1cccn(CC(=O)O)c1=O 1574055355 LQBFYVLXVSBAED-UHFFFAOYSA-N 321.289 -0.538 30 20 DBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1C[C@H](N)C1 1576253739 YWAINOHRURNLDV-YUSALJHKSA-N 322.390 -0.169 30 20 DBED C[C@]1(C(=O)N2CCN(c3cnccc3C#N)CC2)C[C@@H](O)CN1 1576333567 LYFNBXKLLGZQOE-CZUORRHYSA-N 315.377 -0.285 30 20 DBED CN(C(=O)C1CC2(CNC[C@@H]2C#N)C1)[C@H]1CCS(=O)(=O)C1 1578370134 CKBBVMJKAYJPRS-ATJQQHLPSA-N 311.407 -0.229 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)Nc1c(C(=O)O)cnn1C 1588390383 TXFMHBCVVBQEBJ-SECBINFHSA-N 322.321 -0.399 30 20 DBED C#CCN(CC(=O)O)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O 1588410696 YVCJPTGWXIFKOT-LLVKDONJSA-N 319.321 -0.745 30 20 DBED C=CCCC(=O)N[C@@H](C)CN=c1cc[nH]c(-c2nn[nH]n2)n1 1588572676 NYUARAUTKNMRNX-VIFPVBQESA-N 302.342 -0.039 30 20 DBED C=CCOC[C@@H](NC(=O)c1cn(C(F)(F)CO)nn1)C(=O)O 1588860437 UWAXMTPSNGBQSP-MRVPVSSYSA-N 320.252 -0.795 30 20 DBED Cc1[nH]nc(S(=O)(=O)N2CC[C@@](O)(CC#N)C2)c1C(=O)O 1600670196 NZOKFHAYYBMQEX-NSHDSACASA-N 314.323 -0.545 30 20 DBED N#CC1(CC(=O)N2CCNC(=O)[C@H]2CC(=O)O)CCOCC1 1601053602 LGHNMQXVIKFWFD-SNVBAGLBSA-N 309.322 -0.501 30 20 DBED N#C[C@H]1CN(C(=O)Cc2ccc(S(N)(=O)=O)cc2)CCO1 1645552470 HABAVRLNVVFMRA-NSHDSACASA-N 309.347 -0.373 30 20 DBED CC(C)(C#N)C(=O)N1CCN(S(=O)(=O)c2nc[nH]n2)CC1 1649748189 HCKPJRZNCJTWFC-UHFFFAOYSA-N 312.355 -0.813 30 20 DBED C#CCN1CCN(CCNC(=O)[C@]2(C)CCNC(=O)C2)CC1 1752367139 GUHXJJPDBIEXJR-MRXNPFEDSA-N 306.410 -0.730 30 20 DBED C=C(C)CN[C@@H](C)CNC(=O)C1(n2cnnn2)CCOCC1 1752905131 OHTZULFHHNFYRP-LBPRGKRZSA-N 308.386 -0.151 30 20 DBED C#CCO[C@H](C)C(=O)NC1CN([C@@H](C)c2nnnn2C2CC2)C1 1753378020 TXLZJAQPAGAOPJ-WDEREUQCSA-N 318.381 -0.092 30 20 DBED CCn1cnc(C(=O)N(C)[C@H]2CCN(CC(=O)NCC#N)C2)c1 1753448501 VLWAQYNHNCISAL-LBPRGKRZSA-N 318.381 -0.311 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)N(CC)CCN[C@H]1CCNC1=O 1754070743 NKPHLHXURBUWHH-UONOGXRCSA-N 324.425 -0.216 30 20 DBED C=CCNC(=O)CNC[C@@H](C)NC(=O)C[C@H]1CCCC(=O)N1 1754234919 ZBDZOKAUPDZGKJ-VXGBXAGGSA-N 310.398 -0.558 30 20 DBED C[C@@H]1CCCN(C(=O)C(=O)NC[C@@]2(O)CCN(CC#N)C2)C1 1754758295 CTVZMISRICEZLD-DOMZBBRYSA-N 308.382 -0.679 30 20 DBED C#CCNC(=O)CN[C@H](C)[C@H]1CCN(C(=O)CCCN(C)C)C1 1754799470 NFQWUFHDKBCUNJ-CABCVRRESA-N 322.453 -0.096 30 20 DBED C=CCNC(=O)CN1CCC[C@](CO)(NC(=O)C(F)F)C1 1754851116 FFESKWWVCUHQRR-ZDUSSCGKSA-N 305.325 -0.503 30 20 DBED COC[C@@H](O)CN1C[C@@H]2C(CNC(=O)CSCC#N)[C@H]2C1 1755417751 JQFYRNUGQHKEHI-CYZMBNFOSA-N 313.423 -0.456 30 20 DBED CC(C)[C@@H](CCNC(=O)c1cnon1)NCC(=O)NCC#N 1755552088 DVMLQRDQWLSQGQ-SNVBAGLBSA-N 308.342 -0.557 30 20 DBED C=C[C@](C)(O)CC(=O)N(C)C[C@@H](O)CNCc1nncs1 1755778419 VVSYDEUSTCDPTG-GWCFXTLKSA-N 314.411 -0.226 30 20 DBED C=CCC[C@@H](C)NC[C@H](O)CN(C)C(=O)C1CS(=O)(=O)C1 1755780296 CIBGXVTYODGZGC-YPMHNXCESA-N 318.439 -0.205 30 20 DBED CN(C[C@H](O)CNCC(=O)NCC#N)C(=O)[C@@H]1CC12CCCC2 1755790798 DHSCHMUXMUYAIZ-OLZOCXBDSA-N 322.409 -0.385 30 20 DBED C#CCCNC[C@@H](O)CN(C)C(=O)[C@@H]1CCc2nncn2C1 1755796915 WPPQAJIRZUNGKS-CHWSQXEVSA-N 305.382 -0.727 30 20 DBED C=C[C@H](CC)CC(=O)N[C@@H](CO)CNC(=O)c1cnn(C)n1 1756536650 PRGFFJDAPBHYEP-GHMZBOCLSA-N 309.370 -0.376 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(C(=O)CCCOC)C[C@@H]1O 1757168901 HVLVMWKSMNOIJZ-TYNCELHUSA-N 314.382 -0.572 30 20 DBED C#CCCCCC(=O)N(CCO)C1CCN(C(=O)C(N)=O)CC1 1757555067 QDHDMKKVOWMYIE-UHFFFAOYSA-N 323.393 -0.523 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc[n+]([O-])c1)CCO2 1783048400 ZUBUUMMCTIKDAC-MRXNPFEDSA-N 315.329 -0.603 30 20 DBED CC1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CC#N)[C@H]3C2)COC1 1786362049 FTSYPIKNPUHGMC-AVGNSLFASA-N 321.377 -0.084 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(O)nn1)C2 1800450832 KQLZVPPPPOBTEU-WDAIWFPHSA-N 316.317 -0.981 30 20 DBED N#Cc1ccc(C(=O)NCCNS(=O)(=O)Cc2ccon2)[nH]1 162463775 ADIIIYKNQCHJDC-UHFFFAOYSA-N 323.334 -0.276 30 20 DBED C[C@@H]1CCNC(=O)[C@@H]1NC(=O)CNC(=O)c1ccc(C#N)cc1 195152019 UGCYLGHMNOPOJH-QMTHXVAHSA-N 314.345 -0.071 30 20 DBED CC(=O)N1CCN(C(=O)CCNc2nccnc2C#N)CC1 264654879 XTDYWUGEPLGBRL-UHFFFAOYSA-N 302.338 -0.159 30 20 DBED C=CCS(=O)(=O)CCNC(=O)NC1CN(C(=O)OC)C1 272810503 GFOCFDZRQNITTI-UHFFFAOYSA-N 305.356 -0.663 30 20 DBED N#CCCCOc1cccnc1NC(=O)NCC(=O)NCCO 276013387 BAKWHUUHCKVMSQ-UHFFFAOYSA-N 321.337 -0.006 30 20 DBED C#CCn1ccc(CN(CC)CC(=O)N2CCNC(=O)C2)n1 279697388 IJKGWJYUBNEWHQ-UHFFFAOYSA-N 303.366 -0.703 30 20 DBED C#CCN(C)CCCNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 293914842 GJEPPANXQNWHPN-AWEZNQCLSA-N 308.426 -0.532 30 20 DBED CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCNC(=O)C1 297974595 WOXAZSWVOPEZCM-UHFFFAOYSA-N 300.318 -0.525 30 20 DBED N#Cc1ccccc1OC[C@H](O)CN1CCC(O)(C(N)=O)CC1 323303649 COIYIRWHUMAIDF-CYBMUJFWSA-N 319.361 -0.390 30 20 DBED CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)Cn2cnc(C#N)n2)C1 329179925 MXCAKGUIRUBDCD-STQMWFEESA-N 318.381 -0.139 30 20 DBED CN(C)c1nccc(C/N=C(/O)N2CCN3C(O)=NC[C@@H]3C2)n1 329311436 ZTDWYVIBUPRBMO-LLVKDONJSA-N 319.369 -0.130 30 20 DBED O/C(=N/CCn1cncn1)N1CCC[C@@H]1CN1CCOCC1 329810554 QUDNVJFFKHIQJV-CYBMUJFWSA-N 308.386 -0.011 30 20 DBED CN1C(=O)CC[C@@H]1C(=O)N1CCN(C/C(O)=N/C2CC2)CC1 329966341 RTRMDJWRAQBPTO-GFCCVEGCSA-N 308.382 -0.130 30 20 DBED Cc1nn(C)cc1[C@@H](C)N/C(O)=N/CCNS(C)(=O)=O 330524587 PPGWFUWRXLHRGF-MRVPVSSYSA-N 303.388 -0.158 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N[C@@H](CO)C1CCOCC1 337153071 LORZQOKBXJUJNY-JQWIXIFHSA-N 305.400 -0.300 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCC(=O)N2)CC1 340061095 RJDPIVJDFGAXAK-LBPRGKRZSA-N 308.382 -0.899 30 20 DBED CN1CCC[C@@H](NC(=O)C(=O)NCc2cccc(C#N)c2)C1=O 340146381 AMFFDKVGLZKYKM-CYBMUJFWSA-N 314.345 -0.089 30 20 DBED C[C@H](NC(=O)C1CCCC1)C(=O)NCCn1cnc(C#N)n1 342867181 GOALSJBXHAVYIA-JTQLQIEISA-N 304.354 -0.039 30 20 DBED N#C[C@]1(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)CCOC1 358442683 NHVKTNAAUYWJMI-CYBMUJFWSA-N 306.322 -0.350 30 20 DBED CNC(=O)[C@@H](CO)NS(=O)(=O)c1cccc(Cl)c1C#N 358889954 OLCRKDYKLCQFIA-SECBINFHSA-N 317.754 -0.403 30 20 DBED C=C[C@@H](CO)NC(=O)NC[C@H]1CCCCN1S(C)(=O)=O 359573631 WEWRAIILTIDWFB-WDEREUQCSA-N 305.400 -0.353 30 20 DBED COC(=O)Cn1cc(CNC(=O)N[C@@H]2CCC[C@H]2C#N)nn1 360050741 LNULIGKBWMEAHW-GXSJLCMTSA-N 306.326 -0.057 30 20 DBED C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CC(C)(C#N)C1 361220908 ORVYNYFNCRDXJH-VIFPVBQESA-N 311.367 -0.541 30 20 DBED C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)s2)C[C@@H](C(N)=O)O1 375633913 DNPICMCERIINOW-APPZFPTMSA-N 315.376 -0.117 30 20 DBED CCn1cc(C#N)c(=O)n(Cc2nnc3n2CCCC3)c1=O 377493691 KGEIFPCIJBQDJU-UHFFFAOYSA-N 300.322 -0.122 30 20 DBED C[C@H](O)C(=O)N1CCN(C(=O)c2ccc(C#N)c(O)c2)CC1 408427510 PBRWWBNBRWAQMX-JTQLQIEISA-N 303.318 -0.071 30 20 DBED C=CCCn1cc(C(=O)N2CCN(C(=O)CN(C)C)CC2)nn1 424582488 JKGYNLPIAPSYRC-UHFFFAOYSA-N 320.397 -0.300 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)c2csc(O)n2)CC1 490985435 MHBPJIOAFOMMKQ-UHFFFAOYSA-N 322.390 -0.254 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)CCc2ncc[nH]2)CC1 491095644 MAMZFLOOOJWYKB-UHFFFAOYSA-N 303.366 -0.764 30 20 DBED COC(=O)N[C@@H](C)C(=O)N(C)CCCc1[nH]nc(N)c1C#N 494398795 HNZZFMORWRWMDJ-QMMMGPOBSA-N 308.342 -0.001 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CSC[C@H]2C)C1=O 561210643 NRNPAPVRYHVRRG-BDAKNGLRSA-N 311.363 -0.169 30 20 DBED C[C@@H]1CN(C(=O)NCC(=O)NCC#N)C[C@]2(CCCOC2)O1 561577476 UKZLVVBTTOOHHL-RISCZKNCSA-N 310.354 -0.394 30 20 DBED N#C[C@@H]1CN(C(=O)[C@H]2CCCO2)CCN1C(=O)[C@@H]1CCCO1 585125225 KSOSQGIFHSXIQO-UPJWGTAASA-N 307.350 -0.093 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1Cc2cnn(C)c2C1 601470818 ONFZUDGVKJOUNB-UHFFFAOYSA-N 313.383 -0.157 30 20 DBED N#CCCN1CCN(C(=O)C(=O)N2CCC[C@H](CCN)C2)CC1 601584188 SWRONJJZXHSSLX-CQSZACIVSA-N 321.425 -0.368 30 20 DBED C[C@@]1(CNC(=O)C(=O)N2CCN(CCC#N)CC2)CCOC1 602249096 RDRKUBNAUFZRCS-HNNXBMFYSA-N 308.382 -0.413 30 20 DBED CC#CC[C@H](CO)NC(=O)CCn1cnc2c(N)ncnc21 616506275 ULTNQTDUWGUFMM-SNVBAGLBSA-N 302.338 -0.311 30 20 DBED C=CCCn1cc(C(=O)N[C@H]2CS(=O)(=O)C[C@@H]2OC)nn1 617868044 BJRWOLCZFKSHME-QWRGUYRKSA-N 314.367 -0.604 30 20 DBED C#CCNC(=O)CN1CCN(c2ncccc2C(N)=O)CC1 747329833 YCBVHNNRKHHONS-UHFFFAOYSA-N 301.350 -0.948 30 20 DBED CN1C(=O)CN(N=C(CNS(C)(=O)=O)c2ccccc2)C1=O 768380460 UKENBNZYUXKCBU-UHFFFAOYSA-N 324.362 -0.166 30 20 DBED C#C[C@@H](NC(=O)C(=O)N(C)CCN1CCOCC1)[C@H]1CCCO1 809307258 BNPMIWNLVMBFHM-ZIAGYGMSSA-N 323.393 -0.926 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@]3(CCCN3)C2)C1=O 818612175 OTHQBCKPDSPZFJ-OAHLLOKOSA-N 320.349 -0.682 30 20 DBED C=CCN1CC[C@H](N2CCCC[C@@H]2CS(N)(=O)=O)C1=O 820478019 DJEZWUMRDVFSBP-NEPJUHHUSA-N 301.412 -0.084 30 20 DBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)O[C@H]1CCOC1=O 821732053 QRNFSHWJLRBVDN-VIFPVBQESA-N 324.314 -0.416 30 20 DBED CC1=C(C(=O)N2CCN(CCC#N)CC2)S(=O)(=O)CCO1 827483593 OWCIPKZSDLLTRS-UHFFFAOYSA-N 313.379 -0.279 30 20 DBED CN(C)S(=O)(=O)c1ccc(CN(CC#N)CC(=O)O)o1 830623527 BMDOYSHXZHVTDI-UHFFFAOYSA-N 301.324 -0.060 30 20 DBED N#C[C@H]1CN(C(=O)Cn2cc(C(=O)O)nn2)CCN1C1CC1 833062287 KTZSMTUFIMADDC-JTQLQIEISA-N 304.310 -0.825 30 20 DBED CCS(=O)(=O)N1CCC[C@H](C(=O)N[C@@H]2CNC[C@H]2C#N)C1 834495741 YTTQXWVFIKGQCW-QJPTWQEYSA-N 314.411 -0.724 30 20 DBED C=CCCOCC(=O)N1CCS(=O)(=NS(C)(=O)=O)CC1 854591849 ZRDNIDIGSZZYGV-UHFFFAOYSA-N 324.424 -0.151 30 20 DBED C=CCOCCCNS(=O)(=O)CCS(=O)(=O)N(C)C 882399201 YPWQCSQPKCOLMU-UHFFFAOYSA-N 314.429 -0.610 30 20 DBED C#CC1(O)CN(C(=O)Cc2ccc(S(=O)(=O)N(C)C)cc2)C1 890525391 UQQPVLUUNGJRDN-UHFFFAOYSA-N 322.386 -0.314 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)c3cnon3)C2)[nH]1 937841575 GDWUQLCSYKNCOW-VIFPVBQESA-N 300.278 -0.086 30 20 DBED CC[C@@H](C(N)=O)N1CC(N2CCN(C(=O)[C@@H](C)C#N)CC2)C1 941348596 PTMQKZAKLMQWMS-AAEUAGOBSA-N 307.398 -0.762 30 20 DBED C[C@@H](C#N)C(=O)N1CCCN(C(=O)[C@H]2CCC(=O)N2C)CC1 942011122 CBUBBBKIELRIGX-NWDGAFQWSA-N 306.366 -0.172 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)[C@H]1CN(C)CCO1)CCO2 949060552 GSHFEKSRXHWUBL-OAHLLOKOSA-N 321.421 -0.356 30 20 DBED N#CCN1CCC2(CC1)CN(C(=O)C[C@@H]1CCNC1=O)CCO2 949111700 DIQZNLMDLITIFV-ZDUSSCGKSA-N 320.393 -0.270 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)C(C)(C)C(N)=O 952176408 GDGQZGPHIGKEAP-TUAOUCFPSA-N 323.393 -0.194 30 20 DBED CC(=O)N1CC(C(=O)N(C)C2CN(C(=O)C#CC3CC3)C2)C1 954152679 NOWFZHIPUKIEKW-UHFFFAOYSA-N 303.362 -0.453 30 20 DBED N#CCN1C[C@H](O)[C@H](CNC(=O)c2cnc3[nH]cnc3c2)C1 958105617 KNOLPTLZAYNIEN-PWSUYJOCSA-N 300.322 -0.496 30 20 DBED CC#CCN1C[C@H](O)[C@H](CNC(=O)c2cccc(=O)n2C)C1 958393942 AXVFJWIESBRGMN-OCCSQVGLSA-N 303.362 -0.569 30 20 DBED C=CCN1C[C@@H](O)[C@@H](CNC(=O)c2cc(C)c(C(N)=O)cn2)C1 958409755 WIKDSAPZUJLTSE-SMDDNHRTSA-N 318.377 -0.303 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(C)c2)C1 958490852 CAQQXRBXNGLUMF-USWWRNFRSA-N 305.338 -0.777 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cnn[nH]2)C1 958887606 MMNAKZJOJYDXME-QWRGUYRKSA-N 307.354 -0.339 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2CN(C(=O)COC)C[C@H]2C)nn1 959324422 LLLHGOJCVWYFPV-VXGBXAGGSA-N 321.381 -0.065 30 20 DBED C#CCN1CC[C@@H]([C@@H]2CCCN(C(=O)Cn3cnnn3)C2)C1 961104566 OYZULOPWQVHXHY-ZIAGYGMSSA-N 302.382 -0.133 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1cnnn1 962792884 YDASWCPBGWBTBT-WOPDTQHZSA-N 317.353 -0.575 30 20 DBED C#CCCN1CC[C@H](C)[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 966166006 IMOXGEUWNUVHGZ-NWDGAFQWSA-N 318.381 -0.773 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)c1cc(=O)n(C)o1 966395618 DXGWNQUGXJPTSA-ZYHUDNBSSA-N 317.345 -0.032 30 20 DBED CC[C@H](OC)C(=O)N1CCN(C2CN(C(=O)[C@H](C)C#N)C2)CC1 967198487 MXBCMCWGHLHYTK-OCCSQVGLSA-N 322.409 -0.074 30 20 DBED C[C@@H](C#N)C(=O)N1CC(N2CCN(C(=O)c3ncc[nH]3)CC2)C1 967205879 GBCGXIDHDSZNPG-NSHDSACASA-N 316.365 -0.462 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)Cn3nccn3)C[C@@H]2O)C1 970394662 DDZDXHILTBOEHB-NEPJUHHUSA-N 319.365 -0.678 30 20 DBED C#Cc1ccc(C(=O)N(C)C[C@H]2CCN2C(=O)CC(N)=O)nc1 978109391 SFNCCPOTNLQLQF-GFCCVEGCSA-N 314.345 -0.389 30 20 DBED CC#CCN1CCCN(C(=O)Cn2ccc(=O)n(C)c2=O)CC1 981282881 JFSLSOWZARYWPZ-UHFFFAOYSA-N 318.377 -0.895 30 20 DBED CN(C(=O)[C@H]1CNC(=O)N1)[C@@H]1CCCN(C(=O)C#CC2CC2)C1 984183939 IIVDUUZRRJUQKJ-CHWSQXEVSA-N 318.377 -0.469 30 20 DBED C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)CN2C(=O)CNC2=O)C1 989766678 SLXMVIRLFNVXLH-ZJUUUORDSA-N 314.773 -0.130 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CCCN2C)C1 990506580 CSSGAZDSWVREMC-GJZGRUSLSA-N 318.421 -0.495 30 20 DBED N#Cc1cc(C(=O)NC2CN(C(=O)[C@@H]3CCC(=O)NC3)C2)c[nH]1 990927517 LIYUWDNAXSZZHQ-SECBINFHSA-N 315.333 -0.647 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CC[C@H]1CN2C(=O)c1cc(=O)n(C)o1 1007280336 PRLUCHSCJSWDFW-OUAUKWLOSA-N 318.333 -0.047 30 20 DBED C#Cc1cncc(C(=O)N[C@H]2CCN(Cc3nnnn3C)C2)c1 1015678091 AZNWHNUUELTNLQ-ZDUSSCGKSA-N 311.349 -0.409 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCN([C@@H](CC)C(N)=O)C2)nn1 1015810875 SZOSCHLMXAFWCE-PWSUYJOCSA-N 306.370 -0.468 30 20 DBED CC#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)CCn1ncn(C)c1=O 1017762153 WSDCCMYRROHWSC-OKILXGFUSA-N 317.393 -0.330 30 20 DBED C#Cc1ccc(C(=O)N2C[C@@H](NC(=O)C(N)=O)CC[C@H]2C)cn1 1018374769 KKYKHYJTNNDJRW-MFKMUULPSA-N 314.345 -0.343 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCN(C(=O)c3cn(C)c(O)n3)C2)C1 1019362956 JGIJPSCGSQDKNK-SNVBAGLBSA-N 317.349 -0.040 30 20 DBED C#CCN1CC[C@H]2[C@@H](CCCN2C(=O)C2CS(=O)(=O)C2)C1 1021597686 PYSNFEZKKFGQIF-JSGCOSHPSA-N 310.419 -0.023 30 20 DBED C=CCN[C@@H]1CC[C@@H]2CN(C(=O)CN3CCNC(=O)C3)C[C@H]21 1026331533 WEIKWKDUPSJTFE-MGPQQGTHSA-N 306.410 -0.569 30 20 DBED C=C(Cl)CN1CCC[C@H]1CNC(=O)[C@@H]1CC(=O)NC(=O)N1 1028171842 JYTXUPLJNPFHCB-UWVGGRQHSA-N 314.773 -0.082 30 20 DBED Cc1nc(C(=O)NC[C@@H]2CCN(CC#N)C2)nn1-c1nc[nH]n1 1028724329 FEYZESPOCMRKCP-JTQLQIEISA-N 315.341 -0.731 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NC1CN([C@@H]2CCC(=O)NC2=O)C1 1030332035 WAKMLXROGPWCCS-UPJWGTAASA-N 321.377 -0.427 30 20 DBED CC#CCN1CC(CNC(=O)c2ccc(=O)n(CCOC)n2)C1 1031828291 GSZCKFNTCPPPHV-UHFFFAOYSA-N 318.377 -0.425 30 20 DBED C#CCCN1CC[C@@H](N(CC)C(=O)c2nnc(O)nc2O)C1 1033883246 LZLNNTZXDGKGNA-SNVBAGLBSA-N 305.338 -0.158 30 20 DBED CC#CCN1CCCC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 1034220630 UXIVNHWHTDYDAY-LBPRGKRZSA-N 318.381 -0.629 30 20 DBED N#CCN1CCO[C@@H](CNC(=O)c2cnc3n2CCOC3)C1 1035412789 SXJPHOWUOCSVEO-NSHDSACASA-N 305.338 -0.633 30 20 DBED CC(C)N1C(=O)CC[C@H]1C(=O)NC[C@H]1CN(CC#N)CCO1 1035483120 MBBFIUWVHXIAKI-STQMWFEESA-N 308.382 -0.274 30 20 DBED CC(=O)N1CCOC[C@H]1C(=O)N1CCC2(CC1)CN(CC#N)C2 1035853992 TWUJHNRKCLTFPX-AWEZNQCLSA-N 320.393 -0.318 30 20 DBED N#CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)c1ccc(-n2ccnc2)nn1 1037624882 NLTPVBMWVUCIAG-OSMZGAPFSA-N 309.333 -0.012 30 20 DBED C#CCN[C@@H]1CCN(C(=O)CN2CCOCC2=O)C[C@H]1CC 1037860284 SJADVCOTOFKLAC-ZIAGYGMSSA-N 307.394 -0.305 30 20 DBED CC(C)C#CC(=O)N1CC[C@](O)(CNC(=O)c2ncn(C)n2)C1 1039619920 UGZWDKWOLOFXRF-HNNXBMFYSA-N 319.365 -0.832 30 20 DBED C=CCC(CC=C)C(=O)NC[C@]1(O)CCN(C(=O)CC(N)=O)C1 1039805532 BMBAAEVLEJPIPT-MRXNPFEDSA-N 323.393 -0.290 30 20 DBED C#CCN1[C@H]2CCC[C@H]1CN(C(=O)CN1C(=O)CNC1=O)C2 1039995557 PHFHRMDFGUXZBA-RYUDHWBXSA-N 304.350 -0.763 30 20 DBED C=CCCC(=O)N1CC[C@](O)(CNC(=O)[C@@]2(C)CCNC2=O)C1 1040922425 XVBYUIQGARQZGD-HOTGVXAUSA-N 323.393 -0.442 30 20 DBED C#CCN1CC[C@@]2(CCN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)C1 1041369335 YQOVLARQUXBFJH-XHDPSFHLSA-N 304.350 -0.858 30 20 DBED C#CCCN1CC[C@@H]2CCN(C(=O)Cn3cnnc3O)C[C@H]21 1042022898 ZRORXIPTKRJVMF-CHWSQXEVSA-N 303.366 -0.070 30 20 DBED C#CCCCCC(=O)N1CC(O)(CNC(=O)c2cn(C)cn2)C1 1042546829 DNAANVUWWQZSJN-UHFFFAOYSA-N 318.377 -0.083 30 20 DBED CC[C@H](F)C(=O)N1CC(O)(CNC(=O)c2ccc(C#N)[nH]2)C1 1042609125 RKTNAZRHSICSNA-JTQLQIEISA-N 308.313 -0.062 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)C2[C@@H]3CCC[C@@H]23)C1 1043039485 GQBDFQYWGJZKAY-JHJVBQTASA-N 320.389 -0.240 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)C3=CCOCC3)C2)nc1 1043919108 YGUMGYDAWRJGNO-KGLIPLIRSA-N 314.345 -0.034 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CN([C@@H]2CCC(=O)NC2=O)C1 1043921902 CICQLXHYBIPFJY-UPJWGTAASA-N 321.377 -0.475 30 20 DBED Cn1ccc(C(=O)N[C@@H]2CN(c3ccc(C#N)nn3)C[C@@H]2O)n1 1043971661 OKEUWIPXSCUNHC-NEPJUHHUSA-N 313.321 -0.939 30 20 DBED C=C(C)CN1CC[C@@H](N2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)C1 1046063585 RSVKXHSHVHDXLZ-KFWWJZLASA-N 320.437 -0.098 30 20 DBED C=C(C)CN1C[C@H](O)[C@@H](N(C)C(=O)c2cccn3nnnc23)C1 1047393037 VUBSEQHSMVNWKT-STQMWFEESA-N 316.365 -0.183 30 20 DBED CC(C)C#CC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2COCCO2)C[C@@H]1O 1048798776 MFIYJOZKORFSGJ-IHRRRGAJSA-N 324.377 -0.909 30 20 DBED COCC1(C(=O)N(C)[C@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)CCC1 1049091255 CWRVDNHSWQTAJB-AVGNSLFASA-N 323.393 -0.007 30 20 DBED C#CCN1C[C@H]2CN(C(=O)Cc3nc4ncccn4n3)C[C@H]2C1 1049214340 DCTGBYUSZLIBHO-BETUJISGSA-N 310.361 -0.310 30 20 DBED Cc1cc(CC(=O)N2C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)C#N)C2)n[nH]1 1049388728 PJURYTAVPCABHT-XDTLVQLUSA-N 319.365 -0.550 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)c1cc2n(n1)CCCO2 1051018189 RVFITTLGNUEPSV-GFCCVEGCSA-N 304.350 -0.271 30 20 DBED CC#CCN1CCOC[C@@H]1CNC(=O)[C@H]1CCCS1(=O)=O 1051255434 SLMAHAIKIPRAHH-QWHCGFSZSA-N 314.407 -0.596 30 20 DBED C[C@@H](NC[C@@H]1CN(C(=O)C#CC2CC2)CCO1)c1nnnn1C 1051609197 QLCCIRUCVKDQJN-DGCLKSJQSA-N 318.381 -0.499 30 20 DBED N#Cc1cncc(N2CC[C@H](NC(=O)c3cn[nH]c3)[C@@H](O)C2)n1 1051626272 LZYANOBCDXHSOB-RYUDHWBXSA-N 313.321 -0.559 30 20 DBED CC#CCN1CCN([C@H]2CCN(C(=O)Cc3nc[nH]n3)C2)CC1 1052107027 ZFZKHKKLHIGKST-AWEZNQCLSA-N 316.409 -0.411 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)C[C@@H]3CCC(=O)N3C)CO2)C1 1053887851 SHZCVMPPYJXHHJ-KGLIPLIRSA-N 319.405 -0.020 30 20 DBED CC(C)(C(N)=O)C(=O)N1CCN(c2ccc(C#N)nn2)CC1 1055931809 CZJNWKQGXUFDDO-UHFFFAOYSA-N 302.338 -0.492 30 20 DBED C=CCCC(=O)N1CCC[C@](CO)(NC(=O)Cn2nccn2)C1 1055961778 XEGZKTHJEHSCBJ-HNNXBMFYSA-N 321.381 -0.286 30 20 DBED N#Cc1cnc(N2C[C@H]3[C@H](NC(=O)Cn4cccn4)[C@H]3C2)cn1 1056140355 DUQRXMYLNLDGFI-JYAVWHMHSA-N 309.333 -0.204 30 20 DBED N#Cc1cnc(N2C[C@@H]3C(NC(=O)Cc4cc[nH]n4)[C@H]3C2)cn1 1056161234 DSFYVSPSJOTJEA-RYUDHWBXSA-N 309.333 -0.135 30 20 DBED Cn1cc(C(=O)N[C@H]2[C@@H]3CN(c4ccncc4C#N)C[C@@H]32)nn1 1056199206 UHCGNNKCZDPBIP-YABSGUDNSA-N 309.333 -0.054 30 20 DBED Cc1cc(C#N)nc(NC2CC3(CC(NC(=O)C(N)=O)C3)C2)n1 1056536186 PKSUCZLHVLQGFS-UHFFFAOYSA-N 314.349 -0.019 30 20 DBED CN1CC[C@@H](C(=O)N2CC[C@@H](Nc3cnc(C#N)cn3)C2)C1=O 1056752817 LNVXYDJLAUURNF-ZYHUDNBSSA-N 314.349 -0.161 30 20 DBED CN(c1ccc(C#N)nn1)[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 1057012703 MWMAMQOFFPGUBM-MNOVXSKESA-N 315.337 -0.933 30 20 DBED C#CCOCCC(=O)NCCN(CCO)C(=O)COCCC 1057140164 OOYLOUAHBGVPPG-UHFFFAOYSA-N 314.382 -0.610 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)c1ccnn1CC 1057193338 DXKDSZDLHXBNOF-UHFFFAOYSA-N 324.381 -0.344 30 20 DBED CN1CCCC[C@@H]1C(=O)NCCN(CCO)C(=O)C#CC1CC1 1057539074 NAFMBPGWXDGRTP-OAHLLOKOSA-N 321.421 -0.179 30 20 DBED C#CCO[C@H](C)C(=O)N(CCO)CCNC(=O)c1cnn(C)c1 1057583196 JQGLVDRZAQUHIK-GFCCVEGCSA-N 322.365 -0.991 30 20 DBED C[C@@H](Cc1cnc[nH]1)C(=O)N(CCO)CCNC(=O)[C@H](C)C#N 1057710858 BJWKBZCLYJCBKG-NWDGAFQWSA-N 321.381 -0.315 30 20 DBED C#CCO[C@H](C)C(=O)NCCN(CCO)C(=O)CCCF 1058400793 MWSPSOUOVCDTPR-GFCCVEGCSA-N 302.346 -0.289 30 20 DBED Cn1cc(C(=O)N[C@H]2CCN(c3cncc(C#N)n3)C2)nc1O 1058533035 RQZMIDPIVFMVMF-VIFPVBQESA-N 313.321 -0.204 30 20 DBED CN1C(=O)CC[C@H]1C(=O)N1CC[C@H](N=c2cc[nH]c(C#N)n2)C1 1059030527 OIHSEXDUKDCWRK-QWRGUYRKSA-N 314.349 -0.596 30 20 DBED Cc1cc(=N[C@H]2C[C@@H](NC(=O)c3nnn(C)n3)C2)c(C#N)c[nH]1 1059790541 GACZEHTVVDOFDI-PHIMTYICSA-N 312.337 -0.420 30 20 DBED N#Cc1nc(=N[C@@H]2CC[C@@H]3CN(C(=O)c4cnn[nH]4)C[C@H]32)cc[nH]1 1060559053 JRPVZIRDABRIEU-GMTAPVOTSA-N 324.348 -0.149 30 20 DBED C=CCCC(=O)N1CCOC[C@@H]1CNC(=O)[C@H]1CCC(=O)N1C 1061798891 IJPSDYYVAJJDCK-QWHCGFSZSA-N 323.393 -0.083 30 20 DBED C[C@H](C#N)C(=O)NCc1cccc2c1CCN(C(=O)C(N)=O)C2 1061947055 BUENYVFCIDUNLO-SNVBAGLBSA-N 314.345 -0.168 30 20 DBED C[C@@H](C#N)C(=O)N1CCCC[C@@H]1CNC(=O)Cn1cnnn1 1062333941 HVUXEJSIGWNFLU-WDEREUQCSA-N 305.342 -0.670 30 20 DBED Cc1cc(C#N)nc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)Cn2nccn2)n1 1064301425 SAFGMIFDEJOJCX-SCDSUCTJSA-N 324.348 -0.358 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@H]1CN(C(=O)COCC)CCO1 1064808970 VKZVEENVVYUJDQ-DOMZBBRYSA-N 314.382 -0.306 30 20 DBED C=CCCC(=O)N1CCO[C@H](CNC(=O)c2cnnn2C)C1 1064956005 PDLNZGJIOANRKG-LLVKDONJSA-N 307.354 -0.262 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CN(C(=O)[C@@H]2[C@H]3COC[C@H]32)CCO1 1065481604 ZDWSCRJMSYPDKV-JZRPKSSGSA-N 307.350 -0.618 30 20 DBED CN(C(=O)[C@@H]1CCCO1)[C@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1065566618 RTPYTIAANSLKPX-AVGNSLFASA-N 317.349 -0.465 30 20 DBED C#CCNC(=O)CC(=O)N(C)CCCN(C)C(=O)[C@@H](C)OC 1066949252 KJNNWDVCTARWOP-GFCCVEGCSA-N 311.382 -0.532 30 20 DBED N#Cc1ccc(N2C[C@H]3CC[C@H]2CN3C(=O)Cn2ncnn2)nc1 1068051788 YHUJTFCESCJBFI-QWHCGFSZSA-N 324.348 -0.180 30 20 DBED Cn1ncc(C(=O)NC[C@H]2[C@@H]3CN(c4cncc(C#N)n4)C[C@H]23)n1 1068178212 STTSWLFMVXOPRK-CNDDSTCGSA-N 324.348 -0.411 30 20 DBED C=C(C)C(C)(C)C(=O)N1C[C@H](n2ccnn2)[C@H](NCC(N)=O)C1 1070249142 OJDRBFOMEXPVKQ-NEPJUHHUSA-N 320.397 -0.293 30 20 DBED N#CCN1Cc2cnn(C3CCN(C(=O)C(N)=O)CC3)c2C1 1070347997 YMUDEHJNJCBDGM-UHFFFAOYSA-N 302.338 -0.629 30 20 DBED Cn1cnc([C@@H]2CN(C(=O)Cc3nc[nH]n3)C[C@H]2NCC#N)c1 1070552722 GJLUDOQOJKCBFH-CMPLNLGQSA-N 314.353 -0.812 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)C[C@@H]4CCNC4=O)C[C@@]3(C1)O2 1070808612 XIVVNASDKGCUNI-ZOMKSWQUSA-N 317.389 -0.553 30 20 DBED Cn1ccc(C(=O)N2C[C@@H]3C[C@@H]4CN(CC#N)C[C@]3(C2)O4)n1 1070889451 WSBGGINYCDCCMM-YWPYICTPSA-N 301.350 -0.141 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)[C@H]2CCOC[C@H]2C)CC1 1070996559 XOMDTSHXTBBFEN-CABCVRRESA-N 321.421 -0.057 30 20 DBED C=CCCN1C[C@H](NC(=O)Cn2cnc(C(N)=O)n2)CC[C@@H]1C 1071516576 AHFYDRDSKSLYQT-NWDGAFQWSA-N 320.397 -0.078 30 20 DBED N#CCN1CCCO[C@H](CNC(=O)c2ccnc3[nH]nnc23)C1 1073690139 NHLCWHLGEMWIPN-SNVBAGLBSA-N 315.337 -0.303 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)c2cnc(OC)nc2)C1 1073841227 FLUKLVOIAKFDQB-CYBMUJFWSA-N 304.350 -0.061 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CCN(C(=O)c2cn[nH]c2)CC1 1074493048 KBGCYUXQUHZFAA-JTQLQIEISA-N 305.338 -0.347 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CCN(C(=O)c2ncc[nH]2)CC1 1074577279 IAIJLZMDWWXGCX-SNVBAGLBSA-N 305.338 -0.347 30 20 DBED C#CCOCCC(=O)N[C@H]1CCN(C(=O)CNC(C)=O)[C@H](C)C1 1074990215 CMTBHBPPJKOGRH-OCCSQVGLSA-N 323.393 -0.342 30 20 DBED Cc1ccc(=O)n(CC(=O)N2CC[C@H]3CN(CC#N)C[C@H]32)n1 1076485315 CTSCMXCVZGTDDL-QWHCGFSZSA-N 301.350 -0.392 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3nncn3C2)C1 1078219697 KDKBRNWTFGHKPK-YNEHKIRRSA-N 303.366 -0.975 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN2C(N)=O)C1 1078280086 OEEXKDOSAGNNTM-FRRDWIJNSA-N 310.398 -0.343 30 20 DBED N#CCN[C@H]1C[C@@H](NC(=O)Cn2ccc(O)nc2=O)C12CCC2 1078672753 FITBGXDZPHYNCC-WDEREUQCSA-N 317.349 -0.511 30 20 DBED C#CCN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)CN1C(=O)CN(C)C1=O)C2 1079102481 QGJIQCFEPAUPRA-JHJVBQTASA-N 318.377 -0.517 30 20 DBED C#CCNC(=O)CC(=O)N(CC)C1CN(C(=O)[C@H](C)C#N)C1 1079644647 NPHJCEWLKARWKU-LLVKDONJSA-N 304.350 -0.655 30 20 DBED C[C@@H](C#N)C(=O)NC1(CO)CCN(C(=O)[C@@H](C)CC(N)=O)CC1 1080983278 JRUMYLZLIUTMGW-QWRGUYRKSA-N 324.381 -0.873 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)c2cn(C)cn2)C[C@@H]1O 1081463032 IYFLVCDBEGFBLE-JSGCOSHPSA-N 318.377 -0.371 30 20 DBED C#CCC1(C(=O)NC[C@H]2CN(C(C)=O)C[C@H]2O)CCOCC1 1081534504 WTKJQCRTXYBUIR-UONOGXRCSA-N 308.378 -0.238 30 20 DBED CN(C)CCC(=O)NC[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1O 1081732115 CTEHPNDSNGOOPC-ZIAGYGMSSA-N 323.437 -0.077 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@@H]2CCc3nnnn3CC2)[C@H](OC)C1 1082154561 KSSJOCJRMJGMLD-JHJVBQTASA-N 318.381 -0.926 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cn(CCOC)nn1 1083079618 IQQDQCTYUZVCHW-UONOGXRCSA-N 319.365 -0.917 30 20 DBED Cn1cc(CN2C[C@H](O)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)cn1 1083414337 YODAXYUHZILOGH-KGLIPLIRSA-N 314.349 -0.405 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)c2nc(OC)cc(OC)n2)C1 1083571771 LERYIRNNZJIVLP-MNOVXSKESA-N 322.365 -0.155 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)[C@H]2CCN(C(=O)CC)C2)C1 1083926735 KXNMKBXHJJOAKG-MJBXVCDLSA-N 309.410 -0.018 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)c2cn([C@@H]3CCOC3)nn2)C1 1083930084 WHEOVKNVQOCXEO-WZRBSPASSA-N 307.354 -0.800 30 20 DBED Cn1cc([C@@H]2CN(C(=O)c3cnn[nH]3)C[C@H]2NCC#N)cn1 1086985801 FJAQKEOUIKVXFO-CMPLNLGQSA-N 300.326 -0.740 30 20 DBED C#CCCN1CC[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@@H]2C1 1088104608 QYJDEDFFGRBEML-CBBWQLFWSA-N 319.405 -0.177 30 20 DBED Cn1cnc2c(C(=O)N[C@H]3CCN(CC#N)C[C@@H]3O)ccnc21 1090566175 JNWOQWXDHKYPFG-RYUDHWBXSA-N 314.349 -0.343 30 20 DBED C=C(C)CCN1CC[C@H](NC(=O)C2CC(=O)NC(=O)C2)[C@@H](O)C1 1090641500 QUZDCXBFGZPOQB-STQMWFEESA-N 323.393 -0.443 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)c2cccnc2C(N)=O)[C@H](O)C1 1090824085 KRQNXPJHPXVWAN-CHWSQXEVSA-N 318.377 -0.078 30 20 DBED CO[C@@H](C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O)C(C)C 1091179582 YXJPJTBTAJTWLM-UHIISALHSA-N 319.365 -0.315 30 20 DBED C#CCN1C[C@@H]2CN(C(=O)[C@H]3CCS(=O)(=O)N3)C[C@]2(C)C1 1092282331 ORVWYHWYAWGAIW-BZPMIXESSA-N 311.407 -0.908 30 20 DBED CC#CCN1CC(OC2CCN(C(=O)Cn3nccn3)CC2)C1 1093540688 NKLUMPCOXAVHMI-UHFFFAOYSA-N 317.393 -0.007 30 20 DBED CC(C)S(=O)(=O)CC(=O)NCCNc1nccnc1C#N 1093645343 AWDTYNQIOVLWIU-UHFFFAOYSA-N 311.367 -0.300 30 20 DBED CN(CCCNC(=O)c1nnn(C)n1)c1ccc(C#N)cn1 1095698254 RQCPNHCWUGQMAI-UHFFFAOYSA-N 300.326 -0.267 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CCCN(c2nccnc2C#N)C1 1096132465 CLPQKFBLXHSLPJ-LLVKDONJSA-N 302.338 -0.431 30 20 DBED COC(=O)NCC(=O)N[C@@H]1CCCN(c2ccnc(C#N)n2)C1 1096138726 XZJMDPQYHBCSRJ-SNVBAGLBSA-N 318.337 -0.211 30 20 DBED N#Cc1nccc(N2CC[C@H](NC(=O)CNC(=O)C3CC3)C2)n1 1096321576 UJQNZHRUFOLOQM-NSHDSACASA-N 314.349 -0.431 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](Nc1ccc2nnnn2n1)C1CC1 1096598687 PTDYUXGSEDEKCF-WPRPVWTQSA-N 300.326 -0.014 30 20 DBED N#Cc1nccc(N2C[C@@H]3CC[C@H](C2)N3C(=O)CNC(N)=O)n1 1096882125 JDLKGJGLHODDNY-AOOOYVTPSA-N 315.337 -0.804 30 20 DBED COCC(=O)N(C)CC(=O)NC[C@H](C)Nc1ccc(C#N)cn1 1098329823 PCFRLXLDHMPCQS-NSHDSACASA-N 319.365 -0.025 30 20 DBED COCC(=O)N[C@@H](C)C(=O)NC[C@H](C)Nc1ccc(C#N)nn1 1098341859 HINSHFTXODAVIG-UWVGGRQHSA-N 320.353 -0.584 30 20 DBED C[C@H](CCNC(=O)CCn1cnnn1)N=c1cc[nH]cc1C#N 1099417471 RSWAYWKOBNAHSY-LLVKDONJSA-N 314.353 -0.241 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)C2CCCCC2)[C@@H](O)C1 1099622719 CGOTUEDNLNLFRK-GJZGRUSLSA-N 321.421 -0.133 30 20 DBED C[C@H](CCNC(=O)[C@@H]1CNC(=O)N1)Nc1ccc(C#N)nn1 1099682401 HEEJLCPTWVTGHY-SCZZXKLOSA-N 303.326 -0.664 30 20 DBED C=C(C)CCC(=O)N[C@H]1CCN(CC(=O)NCC#N)C[C@@H]1O 1099855019 BDORGWUYOFAKSN-STQMWFEESA-N 308.382 -0.466 30 20 DBED C=CCC(C)(C)C(=O)N[C@@H]1CCN(Cc2nnn(C)n2)C[C@H]1O 1100020966 VUZZEMZKSHEGBM-VXGBXAGGSA-N 322.413 -0.136 30 20 DBED CCc1noc(COCC(=O)N[C@@H]2CCN(CC#N)C[C@H]2O)n1 1100072052 OJTABUOZGUFXLJ-GHMZBOCLSA-N 323.353 -0.776 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)CCc2cn(C)nn2)[C@H](O)C1 1100146995 ASNCXNMMMCBBQK-ZIAGYGMSSA-N 307.398 -0.125 30 20 DBED CN1CC[C@H](C(=O)NCCN(C)c2ccc(C#N)nn2)C1=O 1100273129 GOASLYNYYAEULO-LLVKDONJSA-N 302.338 -0.621 30 20 DBED C=CCOCCNC1CC(CNC(=O)CCNC(=O)NC)C1 1100303488 DLGWXIJWHFHBOG-UHFFFAOYSA-N 312.414 -0.008 30 20 DBED CC(=O)NCC(=O)NC[C@H]1CCCN1c1ccc(C#N)nn1 1100770383 QIWIXOMOGCBYCE-GFCCVEGCSA-N 302.338 -0.431 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1CNC(=O)Cc1ncc[nH]1 1102480927 MYMCHTNKKIOMAG-VXGBXAGGSA-N 318.381 -0.724 30 20 DBED N#Cc1cnc(N2C[C@@H]3C[C@H]2CN3C(=O)CCCC(N)=O)cn1 1102553966 OFYYVJJYTVIOEC-RYUDHWBXSA-N 314.349 -0.207 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@@H]1CCN(c2ccc3nnnn3n2)C1 1102701599 FPJIUZKBDUXGHG-NXEZZACHSA-N 300.326 -0.284 30 20 DBED C[C@@H](CNC(=O)[C@H]1COCCO1)CNc1ccc(C#N)nn1 1103878690 YHHXRWQUKSHVGA-ZYHUDNBSSA-N 305.338 -0.072 30 20 DBED CC(=O)N1CC(C(=O)NC[C@@H](C)CNc2cnc(C#N)cn2)C1 1103942281 YULLGPJICWRWLY-JTQLQIEISA-N 316.365 -0.009 30 20 DBED Cc1cc(=NC[C@@H](C)CNC(=O)[C@H]2CCNC2=O)c(C#N)c[nH]1 1104157665 RDZQJXMDMFBUSY-MFKMUULPSA-N 315.377 -0.016 30 20 DBED CC#CCNCc1cn(C2CN(C(=O)c3n[nH]cc3F)C2)nn1 1105322115 AHBXPKDJKCWUNF-UHFFFAOYSA-N 317.328 -0.050 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)c2cc[n+]([O-])cc2)nc1 1105735777 ZIAZKLGQICCPTN-ZDUSSCGKSA-N 313.317 -0.211 30 20 DBED Cn1nccc1C(=O)NC[C@@H](O)CNc1ccc(C#N)nn1 1105740030 SBFGHZKAXSHMIX-JTQLQIEISA-N 301.310 -0.715 30 20 DBED N#Cc1cnc(NC[C@@H](O)CNC(=O)[C@@H]2CCCOC2)cn1 1105741674 ILJKSELIWOOEIG-ZYHUDNBSSA-N 305.338 -0.336 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNc1ncnc2c1cnn2C 1105774841 WHKCHLBFKRLEDV-RKDXNWHRSA-N 303.326 -0.588 30 20 DBED Cc1nonc1C(=O)NC[C@@H](O)CNc1ccc(C#N)nn1 1105884680 ODULEQPMEGSBOI-VIFPVBQESA-N 303.282 -0.758 30 20 DBED Cc1nc(CC(=O)N[C@@H](C)CCN=c2cc[nH]c(C#N)n2)n[nH]1 1106303494 VERIZJABIYQOHP-VIFPVBQESA-N 314.353 -0.254 30 20 DBED N#Cc1nc(=NC/C=C/CNC(=O)C(=O)NCC2CC2)cc[nH]1 1107310492 ZHIRSBYSJLYHSQ-OWOJBTEDSA-N 314.349 -0.619 30 20 DBED C[C@@H](CC(=O)NC/C=C/CN=c1cc[nH]cc1C#N)NC(N)=O 1107350012 BRZFRWBHJFFLET-VUDBWIFFSA-N 316.365 -0.094 30 20 DBED N#Cc1nccnc1NC/C=C\CNC(=O)[C@@H]1CNC(=O)N1 1107489579 DUPMYPXFBXZTTF-SYBPUXJVSA-N 301.310 -0.886 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)CCCC(=O)N(C)C 1107856575 YKASGOMHPZNJJE-LLVKDONJSA-N 318.381 -0.055 30 20 DBED Cn1ccnc1COCC(=O)NC[C@@]1(C)CN(CC#N)CCO1 1108015492 XBHMCTFXDKBJHI-HNNXBMFYSA-N 321.381 -0.333 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)COc2cnn(C)c2)C1 1108161903 JGIKAVCNMHTZSG-HNNXBMFYSA-N 306.366 -0.361 30 20 DBED COCC#CCN1CC(N2C[C@@H](NC(=O)[C@@H](C)OC)CC2=O)C1 1108516455 XFUCSBHUXCXCGJ-OLZOCXBDSA-N 323.393 -0.928 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)[C@@H](C)NC(=O)CC)CC2=O)C1 1108548373 LVXVQRBAWIWGQQ-VXGBXAGGSA-N 322.409 -0.512 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)CCN(C)CCC)CC2=O)C1 1108586766 DCQUAZVRPOZUQK-AWEZNQCLSA-N 320.437 -0.247 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C[C@@H](C)OC 1109052988 HXPRXZANHMJCRV-MQYQWHSLSA-N 307.394 -0.118 30 20 DBED C[C@@H](CN(C)c1ncc(C#N)cc1F)NC(=O)[C@H]1CNC(=O)N1 1109210958 MRMZIQYXXNVDLS-GZMMTYOYSA-N 320.328 -0.285 30 20 DBED CN(C)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1109653351 STAYUHRVTLRBIO-RDBSUJKOSA-N 321.425 -0.311 30 20 DBED CNC(=O)CC(=O)N[C@@H]1[C@H]2C[C@H]1N(c1nccnc1C#N)C2 1109699249 FRTHQQCGTSBJEP-IYYTYJHQSA-N 300.322 -0.822 30 20 DBED CNC(=O)CC(=O)N[C@H]1[C@H]2C[C@H]1N(c1cncc(C#N)n1)C2 1109699709 QLFYHFHJVBSXIL-HNXYLICVSA-N 300.322 -0.822 30 20 DBED Cc1cc(=NC2(CNC(=O)Cn3ncnn3)CC2)c(C#N)c[nH]1 1110237624 WMOFQXRNDDVHDU-UHFFFAOYSA-N 312.337 -0.569 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@]1(O)CCN(c2nccnc2F)C1 1111098675 UBJFLVRDZLTIFI-NHYWBVRUSA-N 322.340 -0.289 30 20 DBED CCN(C)CCC(=O)N(CCO)CCNc1ccc(C#N)nn1 1111507146 PJEHYDPLGDDNPZ-UHFFFAOYSA-N 320.397 -0.077 30 20 DBED CCOCC(=O)NC1(CO)CCN(c2nccnc2C#N)CC1 1112647943 GVUAXAYABMZKAG-UHFFFAOYSA-N 319.365 -0.168 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)c2cn(C)nc2C)CC1 1112713895 KTWKVWXNNMFLCY-ZDUSSCGKSA-N 317.393 -0.376 30 20 DBED C#CCCCCC(=O)N1CCN(CC(=O)NC(=O)NC)CC1 1112772828 NWYMCWCJQPOPFH-UHFFFAOYSA-N 308.382 -0.220 30 20 DBED N#Cc1ccc(CN2C[C@@H]3C(NC(=O)CNC(N)=O)[C@H]3C2)s1 1113850019 OPEOLYQDUFADFM-QWRGUYRKSA-N 319.390 -0.166 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)Cc3ccon3)[C@H]2C1 1114079344 GTQWINZZWRVEMQ-JYAVWHMHSA-N 302.334 -0.987 30 20 DBED C=C(Cl)CN1C[C@H]2C(NC(=O)[C@H](C)NC(=O)COC)[C@@H]2C1 1114321460 NJOXYOGHWGQPNT-HBNTYKKESA-N 315.801 -0.064 30 20 DBED Cc1nsc(NCCCOCCNC(=O)C(N)=O)c1C#N 1115447243 BXPHYPNILASQSL-UHFFFAOYSA-N 311.367 -0.257 30 20 DBED NC(=O)[C@@H]1CCCCN1C(=O)CCN/C(O)=C1\N=CC=CC1=O 1116174528 KEENEMUUHPHICW-FIKMJJSBSA-N 320.349 -0.231 30 20 DBED N#Cc1ccc(S(=O)(=O)CCNC[C@@H]2CNC(=O)C2)nc1 1118154820 AGPRNNONRHYFLL-LLVKDONJSA-N 308.363 -0.547 30 20 DBED COCCO[C@H]1C[C@H](CO)CN(C(=O)NCC#CCO)C1 1119617774 UOGSEZVSEJDPER-STQMWFEESA-N 300.355 -0.963 30 20 DBED C=CCCOCCn1nnnc1N(C)CC(=O)N1CCOCC1 1120093191 YPYXDEHWUXPJKS-UHFFFAOYSA-N 324.385 -0.439 30 20 DBED N#Cc1nccnc1N[C@H](CO)CNC(=O)CC1OCCCO1 1121359151 DZKYXIBGLBWDOU-JTQLQIEISA-N 321.337 -0.610 30 20 DBED CCn1ccnc1C(=O)NC[C@H](CO)Nc1cnc(C#N)cn1 1121413086 ZNLPDKDTBOGYDS-LLVKDONJSA-N 315.337 -0.233 30 20 DBED COCCOCCC(=O)NC[C@@H](CO)Nc1cncc(C#N)n1 1121699134 MAGNOOVBALNMKY-LBPRGKRZSA-N 323.353 -0.710 30 20 DBED C[C@@H]1CCCN1CC(=O)NC[C@H](CO)Nc1ccc(C#N)nn1 1122525246 BECKDCGVSBUKRI-DGCLKSJQSA-N 318.381 -0.278 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)[C@@H]1CCCOC1 1124163746 LKJSZLUQMBGHTE-VXGBXAGGSA-N 319.365 -0.572 30 20 DBED CC(C)[C@@H](O)C(=O)N(C)C[C@H](O)CN(C)c1nccnc1C#N 1125075562 QKXDTWBPAFZWAP-DGCLKSJQSA-N 321.381 -0.379 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)[C@@H](C)n2cncn2)C1=O 1125918183 LNBLQZJGXIBRNU-VXGBXAGGSA-N 306.370 -0.668 30 20 DBED COCCOC[C@@H](O)CNCCNC(=O)C#CC(C)(C)C 1126915568 FMCSKYPCQSLRRV-ZDUSSCGKSA-N 300.399 -0.234 30 20 DBED C#CCO[C@H](C)C(=O)NCCNCc1cn(CC2CC2)nn1 1127045855 IUXDMGVEKBBSGQ-GFCCVEGCSA-N 305.382 -0.068 30 20 DBED C#CCO[C@H](C)C(=O)NCCN[C@@H](C)C(=O)Nc1ncccn1 1127046652 UGFLGZQBTAPHPZ-NWDGAFQWSA-N 319.365 -0.452 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cnc(OC(C)C)cn1 1127288502 GGGIHJFIFCCUQZ-UHFFFAOYSA-N 319.365 -0.667 30 20 DBED N#CCNCc1nnc2n1CC[C@H](NC(=O)c1cnn[nH]1)CC2 1128005069 IOFHLWNBZOFQQQ-SECBINFHSA-N 315.341 -0.856 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(CC(=O)NC)C[C@@H]1n1ccnn1 1128939654 WHMABPQPMNMZKN-OLZOCXBDSA-N 318.381 -0.831 30 20 DBED C=C(C)CCN[C@@H]1CN(C(=O)CC(N)=O)C[C@@H]1n1ccnn1 1129704137 TZILFIKNEADKIQ-NEPJUHHUSA-N 306.370 -0.539 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCN[C@@H](C)c1nnnn1C 1129771128 RXUGIFDUCPSRHC-RYUDHWBXSA-N 305.386 -0.926 30 20 DBED C#CCNC(=O)CN1C[C@H]2C[C@@H]3CN(C(=O)CC)C[C@@]3(C1)O2 1131164708 SFAYTMKGRMJPNL-XJKCOSOUSA-N 305.378 -0.553 30 20 DBED C#CCCN1C[C@H]2C[C@@H]3CN(C(=O)[C@H](C)NC(N)=O)C[C@@]3(C1)O2 1131217592 QLEJKDCNRSJSGL-VPWBDBDCSA-N 320.393 -0.632 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCCNC[C@H]1CCS(=O)(=O)C1 1134053288 QWGZDLHBBHJQBH-UPJWGTAASA-N 316.423 -0.282 30 20 DBED C[C@@H](C[C@@H](C)NCC(=O)NCC#N)NC(=O)Cc1cncn1C 1135944618 NGIUKJZWMFIWIL-NEPJUHHUSA-N 320.397 -0.525 30 20 DBED CN1CCc2cc(C(=O)NCCNCC(=O)NCC#N)ccc21 1146859143 VBZKPRLUWWYNAG-UHFFFAOYSA-N 315.377 -0.362 30 20 DBED CC#CCN1CCC2(C1)CN(C(=O)CNS(=O)(=O)CC)C2 1147657834 DVCYMZVUOAMLKS-UHFFFAOYSA-N 313.423 -0.517 30 20 DBED N#CCN1CCCO[C@@H](CNC(=O)CNC(=O)N2CCCC2)C1 1149700311 HHKKAGXIUAOKNO-ZDUSSCGKSA-N 323.397 -0.478 30 20 DBED C=CCO[C@@H](C)C(=O)NCCNC[C@H](O)COCCOC 1153149309 VGPIGUSGEHNELY-STQMWFEESA-N 304.387 -0.693 30 20 DBED C#CCNC(=O)CC(=O)NCCCN[C@@H](C)c1ncccn1 1156847763 HDBNCQPXBXZQHS-LBPRGKRZSA-N 303.366 -0.227 30 20 DBED C=CCNC(=O)CNCCCNC(=O)CCn1ccccc1=O 1159296092 AKDFUNBEZIKSBD-UHFFFAOYSA-N 320.393 -0.364 30 20 DBED COCc1cncc(C(=O)NCCCNCC(=O)NCC#N)c1 1160198177 VUHMRNONBPCRKE-UHFFFAOYSA-N 319.365 -0.423 30 20 DBED C=CCNC(=O)CNCCCNC(=O)c1nc[nH]c2nccc1-2 1161844031 SDDWENQFAPRJFT-UHFFFAOYSA-N 316.365 -0.079 30 20 DBED C#CCN1CCC(CNC(=O)[C@H]2COCCO2)(COC)CC1 1162131186 AJKBMCSZQPZJSX-CQSZACIVSA-N 310.394 -0.120 30 20 DBED CC[C@H]1C[C@@H](C(=O)NCCCNCC(=O)NCC#N)CC(=O)N1 1163073711 PJCDFTMHTZPWAF-NEPJUHHUSA-N 323.397 -0.973 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@H](C)NC(=O)C(C)(C)C 1163648049 DOWNDCKNUXDDDL-LBPRGKRZSA-N 324.425 -0.618 30 20 DBED C#CCCNCCCNC(=O)C1(n2cnnn2)CCOCC1 1168043158 FFIFDAGCXZPZLK-UHFFFAOYSA-N 306.370 -0.702 30 20 DBED CN(C)[C@H]1CCC[C@H](C(=O)NCCCNCC(=O)NCC#N)C1 1171161522 NUPPQXNMOKWALH-KBPBESRZSA-N 323.441 -0.158 30 20 DBED C=CCNC(=O)CNCCCNC(=O)c1cncc(C(N)=O)c1 1176270355 BERUEBKTNZYKKK-UHFFFAOYSA-N 319.365 -0.808 30 20 DBED CCOCC(=O)N1CC[C@@H]2OCCN(CC#CCOC)[C@@H]2C1 1176901018 UWYIPJGISUJIGB-CABCVRRESA-N 310.394 -0.026 30 20 DBED CCc1nc(CC(=O)NCCCNCC(=O)NCC#N)cs1 1176916470 IVWJVGQWSOYAMW-UHFFFAOYSA-N 323.422 -0.016 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)CS(=O)(=O)CC 1176956451 YRGLCVNLTRFVPU-NSHDSACASA-N 319.427 -0.792 30 20 DBED N#CCN1CCO[C@H]2CCN(C(=O)CNC(=O)C3CCC3)C[C@H]21 1177158574 YLWOOPMPBWIJTG-KGLIPLIRSA-N 320.393 -0.272 30 20 DBED CCOCC(=O)N1C[C@H]2CC[C@H]1[C@@H](CNCC(=O)NCC#N)C2 1177608177 DAVBDDIKXNUBAM-MJBXVCDLSA-N 322.409 -0.121 30 20 DBED C#CCNCCCCCCNC(=O)CCS(=O)(=O)NC 1178472087 QJBWWECMNDRKRC-UHFFFAOYSA-N 303.428 -0.175 30 20 DBED Cc1ccc(C(=O)N2CC[C@H](NCC(=O)NCC#N)[C@@H]2C)nn1 1178652885 GHLGYMAEHIEFJL-RYUDHWBXSA-N 316.365 -0.383 30 20 DBED C#CCOCCC(=O)N1CC[C@H](N[C@H](C)C(=O)NC(N)=O)[C@@H]1C 1178688398 BEWBKNMOHDRCED-WOPDTQHZSA-N 324.381 -0.811 30 20 DBED CC(C)n1cnc(C(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)c1 1184575673 HJSMRJRREASDGX-GFCCVEGCSA-N 318.381 -0.092 30 20 DBED C#CCNC[C@H]1CN(C(=O)c2nnn(C)n2)CC12CCOCC2 1186464143 FUJNPAWHEKJVOI-LBPRGKRZSA-N 318.381 -0.698 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2cnc(C)[nH]2)C1 1189371814 SGMPGMBLODOIFL-LBPRGKRZSA-N 303.366 -0.386 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)c2cccs2)C1 1190786996 VCBQHHSMTCEJCB-IJLUTSLNSA-N 321.402 -0.339 30 20 DBED CC[C@@H](C(=O)N1CC[C@H](N(C)CC(=O)NCC#N)C1)N(C)C 1192385820 KYMUONUJILQXEK-STQMWFEESA-N 309.414 -0.501 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(Cc2nnc(C)o2)C[C@H]1O 1192529813 HJMUNFPTXXBIGB-JTNHKYCSSA-N 310.354 -0.634 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 1194293684 ILBOKCQLLKIWIT-HUUCEWRRSA-N 322.453 -0.003 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1CN(CC(=O)NCC2CC2)C[C@H]1O 1195286412 IERNCNMLUUUJQV-CHWSQXEVSA-N 309.410 -0.114 30 20 DBED C#CCNC(=O)CC(=O)N1CCCN(C[C@@H]2CCOC2)CC1 1195588629 QABIGSXACRJBSS-AWEZNQCLSA-N 307.394 -0.303 30 20 DBED C[C@]1(C(=O)N2CCCN(CC(=O)NCC#N)CC2)CCOC1 1197555746 RLSNEJJIXHEIKF-HNNXBMFYSA-N 308.382 -0.413 30 20 DBED C#CCN[C@@H](CNC(=O)CNC(N)=O)c1ccccc1OC 1198516529 ZNMRHDVUWZENLM-LBPRGKRZSA-N 304.350 -0.256 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)Cc2cncnc2)CC1 1200284041 PVNHWIPFDROJBJ-UHFFFAOYSA-N 315.377 -0.651 30 20 DBED Cn1cccc(C(=O)N2CCCO[C@H](CNCC#N)C2)c1=O 1201879978 JRNBTNYIXABOQS-GFCCVEGCSA-N 304.350 -0.270 30 20 DBED COCC#CCNC[C@H]1CN(C(=O)c2ccn(C)n2)CCCO1 1202058305 KBSAIGTXZZPTEP-AWEZNQCLSA-N 320.393 -0.109 30 20 DBED N#CCNC(=O)CN[C@H]1C[C@H](NC(=O)c2cocn2)C12CCC2 1202616675 ITBVYHVXNWVEEK-RYUDHWBXSA-N 317.349 -0.055 30 20 DBED CCNC(=O)NC(=O)CNCC1CCN(C(=O)[C@@H](C)C#N)CC1 1204799185 SIDOBRXAZQSZFW-NSHDSACASA-N 323.397 -0.180 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)COCCOC)[C@H](C)C1 1206662203 CQUWSWHNWZIHRE-CHWSQXEVSA-N 313.398 -0.612 30 20 DBED C#CCCN[C@H]1CCCN(C(=O)CN2CC(=O)N(C)C2=O)C1 1210654087 CQESXWIDSCJJAT-LBPRGKRZSA-N 306.366 -0.516 30 20 DBED COCC#CCN1C[C@@H](NC(=O)c2c(C)ncn2C)[C@H](OC)C1 1212433305 SZSRFOUUDNUKCU-ZIAGYGMSSA-N 320.393 -0.193 30 20 DBED CCN(CC)C(=O)CCC(=O)N[C@@H]1CN(CC#N)C[C@H]1OC 1213897857 NAFLGVMGDZAHGL-CHWSQXEVSA-N 310.398 -0.026 30 20 DBED C#CCCN[C@@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)CC)C[C@H]1C 1214683515 ABWDNYJFPIHXLB-JHJVBQTASA-N 315.439 -0.226 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)c2cscn2)C1 1219354107 WDVVWMAGNMRJMY-FOGDFJRCSA-N 324.406 -0.391 30 20 DBED COc1ccc(CN2C[C@H](O)[C@H](NC(=O)[C@H](C)C#N)C2)nn1 1219379234 PCBKOERAXWMURW-JLLWLGSASA-N 305.338 -0.694 30 20 DBED N#Cc1cc(CN2C[C@H](O)[C@H](NC(=O)CC(N)=O)C2)ccc1F 1219403122 RGSYEKVLXUECMW-OLZOCXBDSA-N 320.324 -0.766 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)c2cc(C)co2)C1 1220178530 NHUCSYNQDDUPCN-UPJWGTAASA-N 319.361 -0.499 30 20 DBED CCCCC1(C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@@H]2O)CC1 1220287250 ZFSOSDGHAYWTKP-OLZOCXBDSA-N 322.409 -0.242 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(CC#CCOC)C[C@@H]1O 1220382639 GTCYWJCJYHBITO-KBXIAJHMSA-N 308.378 -0.611 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@H]2CC[C@@H](C)O2)C1 1220387824 SBBQOOVXWZIXEZ-FVCCEPFGSA-N 311.382 -0.983 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)CCN(C)CC)[C@@H]2C1 1221919471 QIHRWDWVTVCMJZ-HUUCEWRRSA-N 320.437 -0.390 30 20 DBED Cn1nccc1C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCC#N 1225211466 ZHKAESXKKNRHSN-VXGBXAGGSA-N 318.381 -0.310 30 20 DBED C=CCN1CC[C@H](N2CCC(NC(=O)CC(N)=O)CC2)C1=O 1226732215 MBQZOUKYOBNPMC-LBPRGKRZSA-N 308.382 -0.771 30 20 DBED CN(C[C@H]1CCN1CC(=O)NCC#N)C(=O)Cc1cnn(C)c1 1231161743 NTXBOLCAWNMPQO-CYBMUJFWSA-N 318.381 -0.865 30 20 DBED C=CCNC(=O)CN1CC[C@H]1CN(C)C(=O)[C@H]1CCC(=O)N1 1231198083 LRDWVWRXRMEIHL-NWDGAFQWSA-N 308.382 -0.900 30 20 DBED C=CCNC(=O)CN1CC[C@H]1CN(C)C(=O)CC(=O)NCC 1233817807 BHWBVWRMFQTHDI-LBPRGKRZSA-N 310.398 -0.653 30 20 DBED C#CCOCCNC(=O)C(=O)NCCc1ccc2c(c1)OCO2 1256891370 JQRKRDKRLMFWCE-UHFFFAOYSA-N 318.329 -0.160 30 20 DBED C#CCSCCNC(=O)C(=O)NC[C@@H]1CC(=O)N(C2CC2)C1 1261090154 KDOMVRBBDXDRAM-NSHDSACASA-N 323.418 -0.404 30 20 DBED N#Cc1ccc(NC(=O)C(=O)NCCN2CCOCC2)nc1 1261238771 PZXKKMDABDMHIY-UHFFFAOYSA-N 303.322 -0.660 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@@H](NC(=O)CC2(O)CCC2)C1 1316976036 HXXWVKTYWRVFHT-QWHCGFSZSA-N 307.394 -0.380 30 20 DBED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1ccc(C(N)=O)c(F)c1 1321663629 WNEIHFVHLKHPAU-SNVBAGLBSA-N 321.308 -0.246 30 20 DBED O=C(NCCN/C(O)=C1/N=CC=CC1=O)NC[C@@H]1CCCO1 1321746349 OVSLPXJGRRMQDH-AGKQBQDBSA-N 308.338 -0.009 30 20 DBED C[C@]1(C#N)CCCN(C(=O)C(=O)NCCCS(C)(=O)=O)C1 1321767817 RZHVREPQUMPPQZ-CYBMUJFWSA-N 315.395 -0.310 30 20 DBED C=CCN1CCC(NC(=O)C(=O)NCCc2ccnn2C)CC1 1322543217 LIKWUDNBWIMPMV-UHFFFAOYSA-N 319.409 -0.155 30 20 DBED C=CCN(C(=O)C(=O)NCCS(=O)(=O)NC(C)C)C(C)C 1322586649 XLYREBGEEVGCMY-UHFFFAOYSA-N 319.427 -0.147 30 20 DBED C[C@@H](NC(=O)C(=O)NCC1(CC#N)CC1)[C@@H]1CN(C)CCO1 1323863354 LVIJOEWHLVPRLZ-NEPJUHHUSA-N 308.382 -0.368 30 20 DBED N#C[C@@]1(F)CCN(C(=O)C(=O)NCC2(N3CCOCC3)CC2)C1 1324518113 HDGYQKHKCYMHLR-AWEZNQCLSA-N 324.356 -0.568 30 20 DBED C#CCSCCNC(=O)C(=O)N1CCOC[C@H]1C[C@H](C)O 1325314358 TZTMWJOZXLJSHI-NWDGAFQWSA-N 314.407 -0.533 30 20 DBED O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)NC1CC=CC1 1328857387 MCCJHTYGVWFAIT-OUKQBFOZSA-N 318.333 -0.536 30 20 DBED C#CCNC(=O)[C@@H](C)OC(=O)CCN/C(O)=C1\N=CC=CC1=O 1329381465 ZJEXRXWQFCHBAY-NIZNLAEJSA-N 319.317 -0.416 30 20 DBED O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1[C@H]2CC[C@H]1CNC2 1330769336 DXZDKRZHHYIUGZ-GQVKIEHUSA-N 319.365 -0.341 30 20 DBED C#CCN1CCC[C@@H](NC(=O)C(=O)Nc2cncc(OC)n2)C1 1331377945 JIVSVJZFMARNEB-LLVKDONJSA-N 317.349 -0.363 30 20 DBED CN(C(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1)C1CCNCC1 1332128281 NRCDSMZFUKRXCP-CQSZACIVSA-N 319.409 -0.604 30 20 DBED CCn1cc([C@H]2C[S@](=O)CCN2C(=O)NCC#CCO)cn1 1332333421 BFWKECQJVWOMAQ-MCMMXHMISA-N 324.406 -0.286 30 20 DBED C[C@H](Cn1cccn1)NC(=O)C(=O)N1CC[C@](O)(CC#N)C1 1345838764 DHQWVIBGFDUTLN-BXUZGUMPSA-N 305.338 -0.735 30 20 DBED CS[C@@H](CO)[C@@H](C)NC(=O)Cn1cc(C#N)c(O)nc1=O 1362295971 MIUACAJYQXWFJL-APPZFPTMSA-N 312.351 -0.951 30 20 DBED COCC[C@](C)(O)CNC(=O)CCn1cc(C#N)c(O)nc1=O 1362340970 UXCLOTAVFANVHH-AWEZNQCLSA-N 324.337 -0.886 30 20 DBED Cc1nn(C)cc1C1=NO[C@@H](C(=O)N2CC(O)(CC#N)C2)C1 1362674906 GGYIRHRIAVOLMZ-GFCCVEGCSA-N 303.322 -0.292 30 20 DBED C[C@@H](OCC1CC1)C(=O)NCCn1cc(C#N)c(O)nc1=O 1363286835 KQNXFSMMZJDAEW-SECBINFHSA-N 306.322 -0.248 30 20 DBED Cc1cc(F)cc(C#N)c1S(=O)(=O)NCCn1ncnn1 1364831605 UYRCMZYFGVZGPY-UHFFFAOYSA-N 310.314 -0.029 30 20 DBED C=C(Cl)CNC[C@@H](C)NC(=O)Cn1[nH]cc2c(=O)ncnc1-2 1367701113 CESIXMWYFNISDF-SECBINFHSA-N 324.772 -0.082 30 20 DBED C[C@@H](C#N)C(=O)N(C)C[C@@H]1CCCN1C(=O)Cn1cnnn1 1369595642 NNBREBBITYEJBH-QWRGUYRKSA-N 305.342 -0.718 30 20 DBED C[C@H](CNC(=O)[C@H]1COC(=O)N1)NC(=O)c1cc(C#N)c[nH]1 1372855045 WEBUBFGHYCWATP-GMSGAONNSA-N 305.294 -0.771 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)CCc1nccs1 1376619604 ISZFCDNMXRMVKV-UWVGGRQHSA-N 310.379 -0.171 30 20 DBED COCCN(CCNC(=O)c1ccnnc1)C(=O)[C@@H](C)C#N 1384411286 PPENVAQEPRKRQP-NSHDSACASA-N 305.338 -0.159 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)[C@H]2CCS(=O)(=O)C2)CC1 1389901848 OPPMVQKTASPODK-UWVGGRQHSA-N 313.379 -0.654 30 20 DBED C[C@@H](C(=O)NC1CN(C(=O)c2ccc(C#N)[nH]2)C1)S(C)(=O)=O 1398647869 VOLXFYNMRNOZTM-QMMMGPOBSA-N 324.362 -0.740 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCN(C)C(=O)[C@@H](C)S(C)(=O)=O 1410048462 ZJOQGTOATFEFTP-VHSXEESVSA-N 303.384 -0.504 30 20 DBED Cc1ccn(CC(=O)NC[C@H](C)NC(=O)[C@H](C)C#N)c(=O)c1 1415162914 SRBXFNYWDYNPBI-NEPJUHHUSA-N 304.350 -0.063 30 20 DBED CN(C[C@@H](O)c1cccnc1)c1c(C#N)c(=O)n(C)c(=O)n1C 1421240346 CFEZEIQCCDZSBT-GFCCVEGCSA-N 315.333 -0.480 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CCCC(=O)N2C)C1 1428233435 IXGLLPFFDBCCFN-FIQHERPVSA-N 306.366 -0.080 30 20 DBED C[C@@H](CNC(=O)CNC(=O)N1CCCC1)NC(=O)[C@@H](C)C#N 1430532365 RBFSGCVWTLBLDN-QWRGUYRKSA-N 309.370 -0.428 30 20 DBED CCN(CCNC(=O)[C@@H](C)C#N)C(=O)c1ccn2nnnc2c1 1449502239 BNUKXAKSNKUILH-JTQLQIEISA-N 315.337 -0.138 30 20 DBED CNC(=O)NCC(=O)N(C)CCNC(=O)c1cc(C#N)c[nH]1 1455195360 ZAHJZYYTBKTAOY-UHFFFAOYSA-N 306.326 -0.996 30 20 DBED N#CCOc1ccccc1C(=O)NC[C@]1(O)CCS(=O)(=O)C1 1468108247 HBGZDTAZCOCLBE-CQSZACIVSA-N 324.358 -0.132 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCN(C[C@@H](O)COC)C2)nn1 1490565658 OFBZIWGOWMZSJT-VXGBXAGGSA-N 309.370 -0.725 30 20 DBED C[C@@H](C#N)C(=O)NC1CN(C(=O)CC[C@@]2(C)CCC(=O)N2)C1 1498384218 UAWMMRMIVMBXSA-ZUZCIYMTSA-N 306.366 -0.078 30 20 DBED CC(=O)NCC(=O)NC[C@@H]1CCN1C(=O)c1ccc(C#N)[nH]1 1505589567 ACYJIZOPOJTFJL-NSHDSACASA-N 303.322 -0.647 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](C)N(C)c1cnc(-c2nn[nH]n2)cn1 1573577222 NQXDSUJKLCMHHW-IUCAKERBSA-N 315.341 -0.243 30 20 DBED N#Cc1nc(NC[C@H](CO)[C@@H]2CCOC2)cnc1-c1nn[nH]n1 1581880627 QIGIFTRXJGMOCX-RKDXNWHRSA-N 316.325 -0.415 30 20 DBED C[C@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)NO 1589975939 NAZDZRHFAGKONU-LURJTMIESA-N 312.311 -0.961 30 20 DBED N#Cc1ccc(S(=O)(=O)NC[C@H]2COCO2)c(C(=O)O)c1 1601111916 PGDMZPFEEOHPAA-VIFPVBQESA-N 312.303 -0.092 30 20 DBED C[C@](C#N)(CC(=O)O)C(=O)NCC1(OCCO)CCOCC1 1602780845 ONZCYJAEFRNSBB-CYBMUJFWSA-N 314.338 -0.335 30 20 DBED CN1C[C@@H](C(=O)O)N(CC(=O)Nc2sccc2C#N)CC1=O 1606203741 NASMCDXFTNKAEH-VIFPVBQESA-N 322.346 -0.215 30 20 DBED N#C[C@H]1CNCC12CC(C(=O)N1CCO[C@@H](CC(=O)O)C1)C2 1608179055 FIAMKBDONAEBBR-WVIDZAQPSA-N 307.350 -0.172 30 20 DBED N#Cc1ccc(C(=O)OCC(=O)N[C@@H]2CCS(=O)(=O)C2)o1 1647204350 LANZRUGPNOQDKS-MRVPVSSYSA-N 312.303 -0.389 30 20 DBED CCn1c(CN2CCC[C@H](O)C2)nnc1N1CCO[C@H](C#N)C1 1647709875 CNKAWCDZUANOHR-QWHCGFSZSA-N 320.397 -0.017 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)CS(=O)(=O)CC)C1 1732155008 PDDPKTOEYVFUJJ-GFCCVEGCSA-N 304.412 -0.186 30 20 DBED CN(CCCNC(=O)c1ccncc1F)CC(=O)NCC#N 1751958475 XGWMSBPYHDZBFE-UHFFFAOYSA-N 307.329 -0.088 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@H](NC(=O)c2cc(C)no2)C1 1752378134 MVEZNCNYVSGKHY-RYUDHWBXSA-N 304.350 -0.075 30 20 DBED C#CCNC(=O)CN1CCCC[C@@H]1CNC(=O)c1cnccn1 1752814210 PQUVFEDRTPOCDY-CYBMUJFWSA-N 315.377 -0.190 30 20 DBED COCC#CCN1CCCC[C@@H]1CNC(=O)Cc1nc[nH]n1 1752824341 VDTHCMRLUTTYTH-CYBMUJFWSA-N 305.382 -0.032 30 20 DBED C#CCCNC[C@H]1CCN(C(=O)COCc2nncn2C)C1 1752956077 KFEYBRXSHSHWSQ-CYBMUJFWSA-N 305.382 -0.207 30 20 DBED C#CCN[C@H](CNC(=O)Cn1ncn2nccc2c1=O)C(C)C 1753838389 APSDDFWQMWBNIL-GFCCVEGCSA-N 316.365 -0.745 30 20 DBED N#CCNC[C@@H](O)CNC(=O)c1c[nH]nc1-c1ccncc1 1753916831 GKMHLPZNOXZENB-LLVKDONJSA-N 300.322 -0.324 30 20 DBED CCN1C[C@H](C(=O)N[C@H](C)CCNCC#CCOC)CC1=O 1753981758 FPRCIUYZCUJLCN-ZIAGYGMSSA-N 309.410 -0.011 30 20 DBED C#CCNC(=O)CN1C[C@H]2C[C@H]1[C@H]2NC(=O)c1snnc1C 1754419165 NPIFGFJADMAJDW-SCVCMEIPSA-N 319.390 -0.602 30 20 DBED Cn1ccnc1CCC(=O)NCC1(NCC(=O)NCC#N)CC1 1754525823 GGWKDIDTLXQCBC-UHFFFAOYSA-N 318.381 -0.769 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC[C@@](C)(NC(=O)c2cnon2)C1 1754681881 JWVFVAPTZRTZBT-QMTHXVAHSA-N 307.354 -0.046 30 20 DBED C=CCNC(=O)CNC[C@@]1(C)CCN(C(=O)CNC(=O)CC)C1 1754691388 ZIMDGAFNJIVZOV-MRXNPFEDSA-N 324.425 -0.357 30 20 DBED CC#CCN[C@@]1(CO)CCCN(C(=O)[C@H]2CCNC(=O)CC2)C1 1755087465 VBFQDONLCBXJFS-PBHICJAKSA-N 321.421 -0.131 30 20 DBED C#CCCNCC1CC(NC(=O)C(C)(C)NS(C)(=O)=O)C1 1755217141 BDIZSNIWCJKOFT-UHFFFAOYSA-N 315.439 -0.178 30 20 DBED CC#CCN[C@H](C)[C@H]1CN(C(=O)c2c[nH]c(=O)cn2)CCO1 1755444999 LSJJNSGITUUEGM-DGCLKSJQSA-N 304.350 -0.388 30 20 DBED C=CCN[C@H](C)[C@@H]1CN(C(=O)CS(=O)(=O)N(C)C)CCO1 1755448738 WQKMEPBULGDCSB-NEPJUHHUSA-N 319.427 -0.731 30 20 DBED C[C@@H](CNC(=O)CSCC#N)N(C)C(=O)c1c[nH]c(=O)cn1 1756005435 IVNFQASBOPKQGD-VIFPVBQESA-N 323.378 -0.397 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@H](CO)CNC(=O)c1cnnc(C)c1 1756516274 YXEWGZPCBYBOSG-SWLSCSKDSA-N 322.365 -0.681 30 20 DBED Cc1n[nH]c(C)c1C(=O)N[C@@H](CO)CNC(=O)C#CC1CC1 1756519218 CLDRRMJBZMWUHJ-GFCCVEGCSA-N 304.350 -0.353 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(C(=O)CN2CCCC2=O)[C@H]1C 1756554238 RVAOSLKEINPXLY-STQMWFEESA-N 323.393 -0.083 30 20 DBED CC(C)(C)[C@H](CNC(=O)C#CC1CC1)NC(=O)Cn1cnnn1 1756703081 NZJDLHSBCOPXKM-LBPRGKRZSA-N 318.381 -0.266 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](O)[C@H](NC(=O)CC2(C)CC2)C1 1757015532 DYZJIGVNBNUWEL-VXGBXAGGSA-N 321.377 -0.996 30 20 DBED CO[C@@H]1CN(C(=O)CN(C)C(C)=O)C[C@H]1NC(=O)C#CC(C)C 1757126477 ADRWTTQJEXZFDT-ZIAGYGMSSA-N 323.393 -0.534 30 20 DBED C=C(C)CCC(=O)N[C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1OC 1757131491 LBVMURPTFQSORG-CHWSQXEVSA-N 321.381 -0.024 30 20 DBED COC(=O)NCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CC#N 1795467351 YQSPMYHMJHTZSE-JGPRNRPPSA-N 308.338 -0.106 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cc(C)no1)C2 1800450888 IYGUTIVAMAJVRD-DRXBFXEBSA-N 317.345 -0.252 30 20 DBED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CC(=O)C1 1802010568 XRHZXPWWCJONCO-YWVIFJGQSA-N 318.373 -0.032 30 20 DBED C=CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CC[C@H](N)C(N)=O)C2 1802311833 AAFFYQUQEKSZEO-RNJOBUHISA-N 322.409 -0.207 30 20 DBED C[C@H](C(=O)N(C)CCC#N)N1CCN(S(C)(=O)=O)CC1 49332384 WSAAYIAUFZZTML-LLVKDONJSA-N 302.400 -0.676 30 20 DBED C/N=C(/NCCN1CCOCC1)NC[C@@](C)(O)c1ccco1 75008538 UTZIJXSPCNCFTH-OAHLLOKOSA-N 310.398 -0.016 30 20 DBED C/N=C(/NCc1cnc(N(C)C)n1C)N[C@H]1CCC(=O)N(C)C1 262824434 XURBCLWDWYPYCY-NSHDSACASA-N 321.429 -0.228 30 20 DBED C#CCOc1ccccc1NC(=O)C(=O)N(CCO)CCCO 275868968 GQZITAOWEUXKFZ-UHFFFAOYSA-N 320.345 -0.160 30 20 DBED C=CCn1c(S(=O)(=O)[C@@H](C)C(=O)NCC(C)C)n[nH]c1=O 283808414 BGTWFMHUEMBKCE-VIFPVBQESA-N 316.383 -0.308 30 20 DBED N#Cc1cncc(S(=O)(=O)NCC(=O)N2CCOCC2)c1 289458346 LTFZNYDMDKOPSJ-UHFFFAOYSA-N 310.335 -0.910 30 20 DBED C[C@H](O)CN(C)C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 291069096 REOXOGAGBUWDGG-JTQLQIEISA-N 311.363 -0.324 30 20 DBED N#Cc1ccc(O[C@@H]2CCN(Cc3nc(N)nc(N)n3)C2)nc1 292242969 QJBPQHGSLDRYII-SNVBAGLBSA-N 312.337 -0.044 30 20 DBED C#CCN(C)CCCNC(=O)NCCNC(=O)c1ccn[nH]1 296663902 OGFQZENMXXEMNJ-UHFFFAOYSA-N 306.370 -0.606 30 20 DBED C=CCN(C)C(=O)C(=O)N1CCN(CC(=O)NC(C)C)CC1 297884148 QDNSSGUHUYQCPC-UHFFFAOYSA-N 310.398 -0.700 30 20 DBED CC(C)[C@@](C)(C#N)NC(=O)CN1CCC(S(N)(=O)=O)CC1 330504541 FCNWZUIEHJUVIT-CYBMUJFWSA-N 316.427 -0.206 30 20 DBED C=C[C@](C)(CCOC)C(=O)N1CCN(S(N)(=O)=O)CC1 331028578 WZYPPQUINAGBKB-GFCCVEGCSA-N 305.400 -0.437 30 20 DBED N#Cc1ccc(S(=O)(=O)NCCCCS(N)(=O)=O)cn1 336836573 WXZBLLARNIFDDP-UHFFFAOYSA-N 318.380 -0.700 30 20 DBED COC(=O)[C@@H]1CC[C@H](NS(=O)(=O)N2CCO[C@H](C#N)C2)C1 337133423 AWNXGLSFLQXVCQ-OUAUKWLOSA-N 317.367 -0.613 30 20 DBED COCCN(CC(=O)N(C)C)S(=O)(=O)N(C)[C@@H](C)CC#N 337860337 MHFZVPQMROQGID-NSHDSACASA-N 320.415 -0.498 30 20 DBED CC(=O)NC[C@H]1CN(S(=O)(=O)c2ccc(C#N)o2)CCO1 344562901 WODFJDWWNPIAQB-NSHDSACASA-N 313.335 -0.323 30 20 DBED COC(=O)[C@@H]1CNC(=O)CN1C(=O)c1ccc(C#N)c(O)c1 344934781 LYBZYZAQPKUUHW-JTQLQIEISA-N 303.274 -0.623 30 20 DBED COC(=O)C[C@H]1COCCN1S(=O)(=O)N(C)C[C@H](C)C#N 344957773 PMNVRQJAHCTWPY-MNOVXSKESA-N 319.383 -0.413 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CCCCN1S(=O)(=O)N(C)C 356462870 VXUIDXBLMNMQID-MNOVXSKESA-N 302.400 -0.077 30 20 DBED N#CCC(=O)N[C@H](Cc1ccccc1)C(=O)NCCC(N)=O 357367157 DBYFLIAMNVBBJY-GFCCVEGCSA-N 302.334 -0.381 30 20 DBED C=C[C@H](CO)NC(=O)N[C@H]1CCCN(c2ccnn2C)C1=O 359144491 OCXFUKSIRPOQOK-MNOVXSKESA-N 307.354 -0.238 30 20 DBED Cc1nn2c(S[C@@H](C)C(=O)N(C)CCC#N)n[nH]c2nc1=O 359317584 JTWQYHFJVPRKLY-QMMMGPOBSA-N 321.366 -0.026 30 20 DBED Cc1c(C#N)cccc1NC(=O)C(=O)N1C[C@H](O)C[C@H]1CO 372630925 IUIYWQKUPGOXTR-NWDGAFQWSA-N 303.318 -0.241 30 20 DBED Cn1c(NC[C@H]2CC[C@H](C(N)=O)CC2)c(C#N)c(=O)n(C)c1=O 420608555 HGEMIKGLQVDQNE-MGCOHNPYSA-N 319.365 -0.341 30 20 DBED Cn1c(O)ncc(C(=O)NC[C@H]2CCCN(CC#N)C2)c1=O 443820023 BGWNAIBCZKEGEI-SNVBAGLBSA-N 305.338 -0.549 30 20 DBED C=CC[C@@H](CO)CNC(=O)N[C@@H](CC)CNS(C)(=O)=O 458993940 WKYQCTAZGLFKGN-MNOVXSKESA-N 307.416 -0.202 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2ncccc2O)CC1 491070797 FSSWLVWRCPWKCK-UHFFFAOYSA-N 302.334 -0.706 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N[C@@H](C(=O)O)[C@@H]1CCOC1 563227865 YWRFSAPHUXDWRJ-OPRDCNLKSA-N 305.356 -0.456 30 20 DBED COC(=O)CN(CCN1CCOCC1)c1ccnc(C#N)n1 574584848 NHLDIOMIZMFAOG-UHFFFAOYSA-N 305.338 -0.340 30 20 DBED C=CC[C@@H](CO)CNC(=O)N[C@H]1CCN(S(C)(=O)=O)C1 579014734 FCRKOYPZXSGHOO-MNOVXSKESA-N 305.400 -0.496 30 20 DBED CNS(=O)(=O)[C@@H]1CCN(Cc2cnc3c(C#N)cnn3c2)C1 583813095 UJZKNEVJNQVVGP-GFCCVEGCSA-N 320.378 -0.276 30 20 DBED CC(C)(CNS(=O)(=O)c1ccc(C#N)o1)NS(C)(=O)=O 588115173 UJKSNJLECZKPIW-UHFFFAOYSA-N 321.380 -0.243 30 20 DBED COc1c(NC(=O)NCC(=O)NCC#N)cccc1C(N)=O 588275381 FPYHWQYATROWKP-UHFFFAOYSA-N 305.294 -0.445 30 20 DBED C[C@@H](C(=O)OCC(=O)NCC#N)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 731238563 BQRKPRSYVSUVFI-HBNTYKKESA-N 321.333 -0.267 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)CCNC(=O)OC 733544248 JSIAAULCSMQFEY-MRVPVSSYSA-N 301.299 -0.324 30 20 DBED CCN1CCC[C@H]1CNC(=O)C(=O)Nc1cnn(CC#N)c1 746407752 XZSULVDBMATVSW-LBPRGKRZSA-N 304.354 -0.054 30 20 DBED C#CCOCCNC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C 784365890 LUZHIVQQRVQRPI-CQSZACIVSA-N 324.425 -0.122 30 20 DBED CNC(=O)[C@H](C#N)C(=O)COCCNC(=O)c1ccccc1 784833388 JDCCTBREUMBNTL-GFCCVEGCSA-N 303.318 -0.112 30 20 DBED CC(C)(C#N)CS(=O)(=O)NCCOCCS(C)(=O)=O 790027164 NPFZUZBFGMKIFJ-UHFFFAOYSA-N 312.413 -0.483 30 20 DBED N#Cc1cc(C(=O)OCC(=O)N2CCNC(=O)C2)ccc1F 792320395 FGDKZNQOYNWUNQ-UHFFFAOYSA-N 305.265 -0.187 30 20 DBED C=C[C@H](O)C(=O)O[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)C(C)C 814544615 MYLBIDALXHEWHO-VWYCJHECSA-N 319.379 -0.596 30 20 DBED C[C@]1(C2CC2)NC(=O)N(CC(=O)N[C@H]2CCCN(O)C2=O)C1=O 816759187 HJKBTUXGCKEEEC-LKFCYVNXSA-N 324.337 -0.797 30 20 DBED C[C@@](C#N)(CC(=O)O)C(=O)N1CCN(S(C)(=O)=O)CC1 819823283 SOVONLPPQCSERX-NSHDSACASA-N 303.340 -0.905 30 20 DBED COCCNC(=O)[C@H](C#N)C(=O)c1cc(-c2nn[nH]n2)cn1C 821691107 JAZYGPQWZNMDEP-SECBINFHSA-N 317.309 -0.710 30 20 DBED C#CCCCCC(=O)N1CCN(S(=O)(=O)NCC#C)CC1 831568513 JCNIXKSHMWICTN-UHFFFAOYSA-N 311.407 -0.208 30 20 DBED C#CCOCCNC(=O)C(=O)Nc1cccc(OCC(=O)O)c1 833366057 DGIMKUYUHATEDA-UHFFFAOYSA-N 320.301 -0.146 30 20 DBED C=CCn1cc(C(=O)NS(=O)(=O)c2cn(C)nc2C)nn1 842796821 LFDPKDJRDDXAFT-UHFFFAOYSA-N 310.339 -0.375 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N1CC[C@H](N2CCOC2=O)C1 849437416 GQWVZXKJJBSUIM-QWRGUYRKSA-N 316.383 -0.008 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N1CCC(CO)(CO)CC1 872911108 ITAOGTWIENSPNL-UHFFFAOYSA-N 314.382 -0.759 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)CCS(=O)(=O)N(C)C 881810166 DOIJSLJXMLAUAD-JTQLQIEISA-N 311.429 -0.311 30 20 DBED Cn1cc(C(=O)NCCNc2ncccc2C#N)c(O)nc1=O 917159230 NYPSGKDJXASREW-UHFFFAOYSA-N 314.305 -0.406 30 20 DBED C#CC[C@@H]1NC(=O)N(C2CCN(CCC(=O)N(C)C)CC2)C1=O 927498089 VRGGBCSDKZSAFJ-ZDUSSCGKSA-N 320.393 -0.127 30 20 DBED CC(=O)N1CC(C(=O)N2CCCN(C(=O)[C@H](C)C#N)CC2)C1 940868446 QAUVIFCNZQHBRD-LLVKDONJSA-N 306.366 -0.315 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@@H](NC(=O)c3cnon3)C2)c1 942257407 WBSVKJRCLVBRJZ-SECBINFHSA-N 300.278 -0.086 30 20 DBED CC[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)CC[C@H]1NC(=O)C(N)=O 948360246 WSOXDUKCGQZZHU-WDEREUQCSA-N 317.349 -0.271 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@@H]2CCN2C(=O)[C@H]2COCCO2)c1 949283012 DZHUHIADPSXQFI-WCQYABFASA-N 318.333 -0.368 30 20 DBED O=C(NC[C@@H]1CCN1C(=O)C#CC1CC1)C1CS(=O)(=O)C1 950155196 CNFYZGLXFAFZET-LBPRGKRZSA-N 310.375 -0.839 30 20 DBED COc1ncc(C(=O)NC[C@H]2CCN2C(=O)[C@H](C)C#N)cn1 951941471 NRFGYSFHKHWHSJ-MWLCHTKSSA-N 303.322 -0.024 30 20 DBED N#Cc1ccc(C(=O)NCC2CCN(C(=O)CC(N)=O)CC2)[nH]1 952241443 VATCURONKBVZPF-UHFFFAOYSA-N 317.349 -0.270 30 20 DBED CN(C(=O)c1cnn(C)n1)C1CN(C(=O)c2ccc(C#N)[nH]2)C1 954778092 AKJZMTJMCLMGEH-UHFFFAOYSA-N 313.321 -0.389 30 20 DBED C=CCCn1cc(C(=O)NC[C@@H]2CCCN2C(=O)C(N)=O)nn1 956188341 JJAMVZCRHXQAFJ-JTQLQIEISA-N 320.353 -0.940 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@](C)(NC(=O)c2cnn(C)c2N)C1 956844549 CZNRCOJRAHUAHA-OTYXRUKQSA-N 304.354 -0.117 30 20 DBED C#CCN1C[C@H](CNC(=O)c2cn(C3CCC3)nn2)[C@@H](O)C1 958072802 GECMWQNELSYUGY-FZMZJTMJSA-N 303.366 -0.341 30 20 DBED C#CCN1C[C@H](CNC(=O)c2cnc3c(cnn3C)c2)[C@@H](O)C1 958527187 WUYSIWOKIFTHTJ-KBPBESRZSA-N 313.361 -0.376 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](CNC(=O)c2cc(C(N)=O)ccn2)C1 958768963 CXQBAJTXJZGLKT-TZMCWYRMSA-N 318.377 -0.221 30 20 DBED CN(C(=O)c1cncn1C)[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 958883589 RUWBFYIGCUDFDR-KBPBESRZSA-N 316.361 -0.523 30 20 DBED CN(C(=O)Cc1cnc[nH]1)[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 958977957 XIDSITJIWDXJRB-KBPBESRZSA-N 316.361 -0.604 30 20 DBED C[C@@H]1CN(C(=O)C(N)=O)C[C@@H]1CNC(=O)c1ccc(C#N)[nH]1 959570503 BTQXGTRVVCZKED-BDAKNGLRSA-N 303.322 -0.804 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H]2CN(C(=O)c3cnns3)C[C@@H]21 960880026 HNCIOUOHIWIUGC-LPEHRKFASA-N 321.362 -0.250 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H]2CN(C(=O)COC)C[C@@H]21 960979972 BXUJQMORWBNKDA-ZOBORPQBSA-N 324.377 -0.338 30 20 DBED C=CCCN1C[C@H]2C(NC(=O)[C@@H]3Cc4cncn4C(=O)N3)[C@@H]2C1 961315159 RTBJKTFFFVMSDQ-UPJWGTAASA-N 315.377 -0.012 30 20 DBED C#CCCN1C[C@@H]2C(NC(=O)[C@H]3C[C@H](OC)CN3C(C)=O)[C@H]2C1 961354849 GKGHYHSNXYBACM-ZQDZILKHSA-N 319.405 -0.308 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CN(C(=O)[C@H]3COCCN3C)C[C@H]2C1 961409496 JHOPQELJWSKPGF-YIYPIFLZSA-N 320.393 -0.607 30 20 DBED C=CCCN1C[C@@H]2C(NC(=O)CN3CC(=O)N(C)C3=O)[C@H]2C1 962288570 OULJMCWQVFSEPI-QWRGUYRKSA-N 306.366 -0.497 30 20 DBED C#CCCN1C[C@@H]2C(NC(=O)C3CCN(C(N)=O)CC3)[C@H]2C1 962513562 XGTHLWWKVODXAX-STQMWFEESA-N 304.394 -0.153 30 20 DBED N#Cc1ccc(C(=O)N2C[C@H](O)[C@H](NC(=O)c3cc[nH]c3)C2)[nH]1 965933725 FBXHXJGARUFGIK-OLZOCXBDSA-N 313.317 -0.170 30 20 DBED Cc1nonc1CC(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 970259356 VTKOXJMRVSZNAS-OLZOCXBDSA-N 318.333 -0.978 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)[C@@H]3CCNC(=O)CC3)C2)C1 972480807 SSDVPKIAINFBFT-YOEHRIQHSA-N 319.405 -0.161 30 20 DBED C=C(C)CN1CCO[C@]2(CCN(C(=O)[C@H]3CN(C)C(=O)N3)C2)C1 972503821 JFFXTDFFWIEPOP-CZUORRHYSA-N 322.409 -0.111 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)[C@@H]3CCN(C)C(=O)C3)[C@H]2C1 976795178 AUYZSOAIAGTTJV-SSKLVLDBSA-N 318.377 -0.413 30 20 DBED C[C@@H](NCc1nncn1C)[C@@H]1CN(C(=O)C#CC2CC2)CCO1 979332753 LPSBKMAOCVRJFN-OCCSQVGLSA-N 317.393 -0.066 30 20 DBED C[C@@H](NCc1ccc(C#N)cc1)[C@@H]1CN(C(=O)C(N)=O)CCO1 979355997 HTCDJQLFQJEOHG-RISCZKNCSA-N 316.361 -0.251 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H](N(C)C(=O)Cc2nc[nH]n2)C1 984598966 RQPRFSOYLHFRKV-WDEREUQCSA-N 304.354 -0.044 30 20 DBED CC(C)(C(N)=O)C(=O)N1CC(NC(=O)c2ccc(C#N)[nH]2)C1 990894836 ZFOSYUQSHLNUDS-UHFFFAOYSA-N 303.322 -0.662 30 20 DBED C#CCCN1CC[C@]2(NC(=O)CN3CCOCC3=O)CCC[C@H]12 991091782 YSMLAAAXDHZKCQ-WMLDXEAASA-N 319.405 -0.018 30 20 DBED C=CCn1cc(C(=O)NC2CN(C(=O)[C@@H]3CCN(C)C3)C2)nn1 991675792 HDJBPGZFEHJZLP-LLVKDONJSA-N 318.381 -0.644 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NCC1CC(NC(=O)C(N)=O)C1 992154400 AKOJZYKYPUGTQW-HCWSGVFWSA-N 309.366 -0.536 30 20 DBED C[C@H](C#N)C(=O)N1CC(N2C[C@H](NC(=O)C(F)F)CC2=O)C1 995465264 PFSAVCCSGRPEBV-HTQZYQBOSA-N 314.292 -0.661 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC(NC(=O)c2csnn2)C1 996598812 UBHOFVGPZWJNME-LBPRGKRZSA-N 319.390 -0.424 30 20 DBED N#CCN[C@@H]1CCCN(C(=O)[C@@H]2CCc3nnnn3CC2)C1 1000251776 RXLWTNUGQGRPIJ-VXGBXAGGSA-N 303.370 -0.270 30 20 DBED C#CCN1CCC(NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)CC1 1003404680 WVPKAJNHQFUAKS-UHFFFAOYSA-N 314.353 -0.479 30 20 DBED C[C@H](NC(=O)[C@@H]1CCN(C)C1=O)C1CN(C(=O)C#CC2CC2)C1 1006639904 AXGNHWRJMBKHQX-FZMZJTMJSA-N 317.389 -0.159 30 20 DBED Cn1nnc(C(=O)NC[C@H]2[C@@H]3CN(C(=O)C#CC4CC4)C[C@H]23)n1 1009378764 MJWUEGRELUVGOA-CNDDSTCGSA-N 314.349 -0.942 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCCN(C(=O)Cn3cnnn3)C2)C1 1010823739 CATHODXUWWMILR-NSHDSACASA-N 317.353 -0.716 30 20 DBED CCn1nncc1C(=O)N1CCN(C(=O)C#CC2CC2)CC1 1011095038 DREGQPCBHWGNPL-UHFFFAOYSA-N 301.350 -0.004 30 20 DBED C=C[C@](C)(CC)C(=O)N1CCN(C(=O)[C@H]2CNC(=O)N2)CC1 1012291419 YNDVYSNDOLSILG-IAQYHMDHSA-N 308.382 -0.059 30 20 DBED C#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)NC(C)(C)C1=O 1018239462 QNJDWCONTIEFNI-TXEJJXNPSA-N 318.377 -0.375 30 20 DBED C[C@H](C#N)C(=O)N1CCC2(CN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 1019236334 JDSPCBQSZRKPJT-MNOVXSKESA-N 304.350 -0.514 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2C[C@H](NCc3nnn(C)n3)C2)nc1 1020946393 FUCDHQDMMFBSGQ-HAQNSBGRSA-N 311.349 -0.363 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H]2CCN(C(=O)Cn3ncnn3)[C@@H]2C1 1021749462 TUICMSKXYQMOLG-NWDGAFQWSA-N 318.381 -0.055 30 20 DBED N#CCNC1CCC(NC(=O)c2nccnc2C(N)=O)CC1 1026602976 NUCRYRMZUFXYFY-UHFFFAOYSA-N 302.338 -0.270 30 20 DBED C#CCN(C)[C@H]1CCCN(C(=O)[C@@H]2CCN(C)S2(=O)=O)C1 1027612150 BKWXHIRSUGRFHC-STQMWFEESA-N 313.423 -0.424 30 20 DBED CCCn1nnnc1CN1CC(NC(=O)c2c[nH]c(C#N)c2)C1 1030235044 NLZUMNOGRFPONP-UHFFFAOYSA-N 314.353 -0.103 30 20 DBED C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)CCn1cc[nH]c(=O)c1=O 1032686430 UPUUXZMJGVKECD-STQMWFEESA-N 318.377 -0.212 30 20 DBED C#CCN1CC[C@@H](N(CC)C(=O)c2cn(C)c(=O)n(C)c2=O)C1 1033980278 VPZXVAMMPRVKMQ-GFCCVEGCSA-N 318.377 -0.746 30 20 DBED N#CCN1CC[C@@H]1CNC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 1038542062 YCGVWKCLRNKTCB-KFWWJZLASA-N 322.409 -0.420 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCN1Cc1nc(=O)n(C)[nH]1 1038708460 QGYYZGBAPCWKQU-UTUOFQBUSA-N 321.381 -0.610 30 20 DBED C[C@H]1[C@@H](Nc2ccc(C#N)nn2)CCN1C(=O)CS(C)(=O)=O 1040052688 WCBOHLPMCDJIMB-ONGXEEELSA-N 323.378 -0.206 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)c2csnn2)C1 1040373623 CRCHZNWIUWKZOC-PELKAZGASA-N 309.351 -0.609 30 20 DBED N#Cc1ccc(N2C[C@@H]3CCN(C(=O)Cn4ncnn4)[C@@H]3C2)cn1 1040724263 YXGXYICZDBWLTJ-SMDDNHRTSA-N 324.348 -0.323 30 20 DBED Cc1cc(C(=O)N[C@@H]2CN(c3ccc(C#N)nn3)C[C@H]2O)on1 1040932655 RGFVNHXVNVOXMT-GHMZBOCLSA-N 314.305 -0.376 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(O)(CNC(=O)C[C@H](C)OC)C1 1041938691 WIDDFQFKLIVPAV-SMDDNHRTSA-N 314.382 -0.572 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(O)CN(C(=O)CC(F)(F)F)C1 1042806014 BNKUSEOULJMINZ-NSHDSACASA-N 324.299 -0.045 30 20 DBED C=C1CC(C)(C(=O)N2CC(O)(CNC(=O)c3cnnn3C)C2)C1 1042849002 ZLNFDQGYQBUDIB-UHFFFAOYSA-N 319.365 -0.526 30 20 DBED C=C[C@@H](CC)CC(=O)N1CC(O)(CNC(=O)c2cnnn2C)C1 1042858287 YRPFAFNXDZAOPZ-NSHDSACASA-N 321.381 -0.280 30 20 DBED Cc1nonc1C(=O)N1CC(O)(CNC(=O)C#CC(C)C)C1 1042943375 QENINPJTPYFYND-UHFFFAOYSA-N 306.322 -0.659 30 20 DBED Cc1nc(N2C[C@H](O)[C@H](NC(=O)c3cn[nH]c3)C2)ccc1C#N 1043846710 ZGFUYGSOPWNUPY-OLZOCXBDSA-N 312.333 -0.036 30 20 DBED N#Cc1cnc(N2C[C@H](O)[C@H](NC(=O)c3cc[nH]n3)C2)c(F)c1 1043860925 HHUDSANVRMYSDZ-NEPJUHHUSA-N 316.296 -0.205 30 20 DBED C=CCCCC(=O)N1CC(O)(CNC(=O)[C@H]2CC[C@H]2C(N)=O)C1 1044444929 WXADNBJCONIHRK-NEPJUHHUSA-N 323.393 -0.456 30 20 DBED CC[C@@H]1OCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@H](C)C#N)C1 1045546891 SCSIXTJHVGKDOC-UTUOFQBUSA-N 309.366 -0.349 30 20 DBED N#Cc1cncc(N[C@H]2C[C@H](CNC(=O)[C@H]3COC(=O)N3)C2)n1 1046808684 IOOOMYAMDOFXFX-FXPVBKGRSA-N 316.321 -0.237 30 20 DBED N#CCSCC(=O)N1CC(O)(CNC(=O)[C@@H]2CC23CC3)C1 1047135144 KCGWURQHEMPTPQ-JTQLQIEISA-N 309.391 -0.267 30 20 DBED CN(C(=O)[C@H]1CCn2ccnc2C1)[C@H]1CN(CC#N)C[C@@H]1O 1047436017 RWGYEGGOVIDYKQ-AVGNSLFASA-N 303.366 -0.527 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cnns2)C1 1048378793 XHDGPLADHBINAA-QWRGUYRKSA-N 322.390 -0.159 30 20 DBED CC#CCN1CC[C@H]2[C@H]1CCCN2C(=O)CN1CCOCC1=O 1049519897 AYHFDZXRHDBDRH-CABCVRRESA-N 319.405 -0.066 30 20 DBED C=CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cn2cncn2)C1 1049587441 LYKWXJUBKGDJJF-STQMWFEESA-N 321.381 -0.336 30 20 DBED C=CCCC(=O)N1CC[C@H]([C@@H](C)NC(=O)Cn2ncnn2)C1 1050267270 AQLZCYSTEQNNIC-NEPJUHHUSA-N 306.370 -0.008 30 20 DBED C#CCCN1CCOC[C@H]1CNC(=O)[C@@H]1CN(CC)CCO1 1051252627 YIXMMGOEQZYXSX-CABCVRRESA-N 309.410 -0.453 30 20 DBED CC#CCN1CCOC[C@@H]1CNC(=O)c1cccnc1C(N)=O 1051253429 PXAFGRAYBFFNFV-LBPRGKRZSA-N 316.361 -0.366 30 20 DBED C#CCN1CCN([C@@H]2CCN(C(=O)[C@H]3OCCO[C@H]3C)C2)CC1 1052037515 MWQRXTFITKAKFL-XHSDSOJGSA-N 321.421 -0.358 30 20 DBED C#CCN1CCN([C@@H]2CCN(C(=O)Cc3ncc[nH]3)C2)CC1 1052101724 SPBVVFWVXFLSQQ-CQSZACIVSA-N 301.394 -0.196 30 20 DBED C#CCN1CC2(C1)CN(C(=O)c1cnc3nccn3c1)CCO2 1053341015 UEJVBOURDNBYEO-UHFFFAOYSA-N 311.345 -0.111 30 20 DBED C#CCN1CC2(C1)CN(C(=O)C[C@H]1CCCCC(=O)N1)CCO2 1053517097 ILWGDAILMNGVGR-CQSZACIVSA-N 319.405 -0.018 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)[C@@H]3CCN(C)C3=O)CO2)C1 1053893100 KBXFQJHXXOLYQA-STQMWFEESA-N 305.378 -0.553 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)[C@]3(C)CCC(=O)NC3)CO2)C1 1053902042 TXCYAQQYWGAGRZ-IUODEOHRSA-N 305.378 -0.505 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H]2CN(C(=O)C3CC3)C[C@H]2C1 1055116857 BVPZEHFTMRUIQF-BETUJISGSA-N 303.362 -0.547 30 20 DBED C=CCCC(=O)N1C[C@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@H]2C1 1055237610 VDQVQYKUSHTSQQ-XQHKEYJVSA-N 305.378 -0.009 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@](CO)(NC(=O)c2cnsn2)C1 1055798221 NKYQTDPUOZWYLF-RNCFNFMXSA-N 323.378 -0.219 30 20 DBED N#Cc1ccc(N2CCN(C(=O)[C@@H]3CCCNC3=O)CC2)nn1 1055927990 GNHXDICGWSSPOY-GFCCVEGCSA-N 314.349 -0.477 30 20 DBED CN1CCC[C@@H]1C(=O)N[C@H]1[C@@H]2CN(c3ccnc(C#N)n3)C[C@@H]21 1056148376 BNTQODPSDZBXTF-ZAZJYDDPSA-N 312.377 -0.007 30 20 DBED N#Cc1cnc(N2C[C@@H]3C(NC(=O)Cc4cncnc4)[C@H]3C2)cn1 1056192211 XALTWDRDFANONM-STQMWFEESA-N 321.344 -0.068 30 20 DBED Cn1ccc(CC(=O)N[C@H]2[C@@H]3CN(c4cncc(C#N)n4)C[C@@H]32)n1 1056203248 MLTRBFKIEPBKOJ-VIKVFOODSA-N 323.360 -0.125 30 20 DBED Cc1cc(C#N)nc(N2C[C@H]3[C@H](NC(=O)Cc4nc[nH]n4)[C@H]3C2)n1 1056298394 WKNHCOOYHOVHMQ-YABSGUDNSA-N 324.348 -0.432 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)c1ccc(O)nn1 1057169952 PVIKFYFLBDSAHG-UHFFFAOYSA-N 308.338 -0.301 30 20 DBED N#Cc1cncc(NC2CCN(C(=O)[C@@H]3CCNC3=O)CC2)n1 1057400392 YHMSMKJPKPTGEW-GFCCVEGCSA-N 314.349 -0.113 30 20 DBED C#CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)c1coc(C)n1 1057421742 FJTMRAJGPSQBLV-NSHDSACASA-N 323.349 -0.428 30 20 DBED Cn1cc(C(=O)N[C@H]2CCCN(c3ccc(C#N)nn3)C2)nn1 1058155461 IFKCOUNCYLOZNT-NSHDSACASA-N 312.337 -0.124 30 20 DBED Cn1ncc(C(=O)N[C@H]2CCCN(c3nccnc3C#N)C2)n1 1058175245 GOJSYNVTFUTKJN-JTQLQIEISA-N 312.337 -0.124 30 20 DBED CN1CCO[C@H](C(=O)N[C@@H]2CCN(c3nccnc3C#N)C2)C1 1058317473 XFYIAKGOEFGHJS-YPMHNXCESA-N 316.365 -0.626 30 20 DBED C#CCOCCC(=O)NCCN(CCO)C(=O)[C@H](F)C(C)C 1058431198 PDMKCYOBPJGDAC-CQSZACIVSA-N 316.373 -0.043 30 20 DBED C[C@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(c1nccn3nnnc13)C2 1058734229 JEGSCZNHEOWECM-VWYCJHECSA-N 312.337 -0.141 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@@H]1CCN(C(=O)COC)C1 1059020655 IRQJBPCJZGXNGS-GFCCVEGCSA-N 309.366 -0.873 30 20 DBED N#Cc1cnc(N[C@H]2C[C@@H](NC(=O)[C@@H]3CNC(=O)N3)C2)c(F)c1 1059803000 QAWYHNQAXRIXKG-NGZCFLSTSA-N 318.312 -0.167 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](CCNC(=O)Cn2cnnc2O)C1 1060288492 AFOAQAXMPVDNDF-WDEREUQCSA-N 320.353 -0.502 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1 1060899746 IYQHFZXLQLRZBR-RISCZKNCSA-N 313.361 -0.086 30 20 DBED C=CCCCC(=O)N1CCOC[C@@H]1CNC(=O)CNC(N)=O 1061269313 ODQGSMWQBXJQGF-NSHDSACASA-N 312.370 -0.645 30 20 DBED N#Cc1nccnc1N1CC[C@H](CNC(=O)[C@H]2CCC(=O)N2)C1 1061538277 BHTIUDKVSZSDMZ-GHMZBOCLSA-N 314.349 -0.431 30 20 DBED CCCN(C)CC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H](C)C#N 1061847570 LZVCFUJFVKXOHK-STQMWFEESA-N 310.398 -0.169 30 20 DBED Cn1ncc(C(=O)N[C@H]2[C@H]3C[C@H]2N(c2ccc(C#N)nn2)C3)c1N 1064244769 DCTFOPMGZGPSIY-KDDOJWQBSA-N 324.348 -0.329 30 20 DBED C#CCO[C@@H](C)C(=O)NC1(CNC(=O)Cn2cncn2)CCC1 1064596052 WQYXKLOZVBMKMF-LBPRGKRZSA-N 319.365 -0.529 30 20 DBED C=C(Cl)C(C)(C)C(=O)N1CCO[C@H](CNC(=O)C(N)=O)C1 1065189404 HQGUTZVCRZXSLQ-SECBINFHSA-N 317.773 -0.406 30 20 DBED N#CCSCC(=O)N1CCC[C@H](NC(=O)CC(N)=O)CC1 1066008765 RXNKFQZPSPAJRP-JTQLQIEISA-N 312.395 -0.384 30 20 DBED C[C@H]1C[C@@H](N=c2cc[nH]c(C#N)n2)CN1C(=O)Cn1nccn1 1069155339 SIYPORMOVDDKRJ-WDEREUQCSA-N 312.337 -0.537 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1Cc2ccccc2CN1C(=O)C(N)=O 1069686239 HFFLASPPYYMDMD-MFKMUULPSA-N 314.345 -0.299 30 20 DBED COC(=O)[C@@H]1C[C@H]1C(=O)NCc1cnn2c1CN(CC#N)CC2 1069854456 JMNIQQLBJHBYSH-VXGBXAGGSA-N 317.349 -0.352 30 20 DBED C=C(Cl)CN[C@@H]1CN(C(=O)c2cnn[nH]2)C[C@@H]1n1ccnn1 1070224412 FAANVFLQIKWTSG-MNOVXSKESA-N 322.760 -0.196 30 20 DBED N#CCN[C@@H]1CN(C(=O)Cc2cscn2)C[C@@H]1n1ccnn1 1070289724 SGCBSPLXVUKUFM-NEPJUHHUSA-N 317.378 -0.158 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCCN(C(=O)C(C)(F)F)C1 1070356376 RRZHELBSIOEJIV-SNVBAGLBSA-N 315.320 -0.112 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@@H](NC(=O)c2cn[nH]c2)C1 1070636290 QXPNRUYJQSSLLH-GFCCVEGCSA-N 317.349 -0.730 30 20 DBED CN1CCCC[C@H]1C(=O)N1CCC(=O)NCCN(CC#N)CC1 1070973259 IMBNZMNBNSHAHD-AWEZNQCLSA-N 321.425 -0.355 30 20 DBED COC[C@@H](C)C(=O)N1CC(N2CCN(C(=O)[C@@H](C)C#N)CC2)C1 1073596660 BXELFVAWZCLSJO-QWHCGFSZSA-N 322.409 -0.216 30 20 DBED C=CCN1CCO[C@H]2CCN(C(=O)c3nnc(O)nc3O)C[C@H]21 1074285906 JHVIOZXMGVPDKQ-ZJUUUORDSA-N 321.337 -0.616 30 20 DBED C=CCOCC(=O)N1CCC(O)(CNC(=O)[C@@H](C)OC)CC1 1074515388 BCRPKITZAQVCMY-GFCCVEGCSA-N 314.382 -0.306 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)c2cn([C@H]3CCOC3)nn2)C1 1077963957 NLRFACVQJTXHIJ-OUCADQQQSA-N 321.381 -0.410 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)c2cnn(CCOC)c2)C1 1078092803 RHLADCPMNCARJJ-ZIAGYGMSSA-N 306.366 -0.672 30 20 DBED Cn1cnc(C(=O)N2C[C@H](CNC(=O)C#CC3CC3)[C@@H](O)C2)c1 1081472580 ZQJMFQIYVLXHDT-JSGCOSHPSA-N 316.361 -0.617 30 20 DBED C=C(Cl)CN1C[C@@H](NC(=O)[C@@H]2COC(=O)N2)[C@H](OC)C1 1081611800 CJVGQHVZXZDBHE-KXUCPTDWSA-N 303.746 -0.337 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2oncc2C)C1 1081728971 DKSXXADRZUJCPO-VXGBXAGGSA-N 323.349 -0.265 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2c(F)cccc2NC(N)=O)C1 1083822115 NRVCVYXKCJQFTM-MNOVXSKESA-N 321.312 -0.385 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)c2cnn3ccc(C)nc23)C1 1083963706 BNKCSOJZJKVMKQ-KGLIPLIRSA-N 313.361 -0.164 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2cc3c(cn2)OCCC3)C1 1084003963 SIDVMILFNJJAKP-OLZOCXBDSA-N 302.334 -0.295 30 20 DBED C=CCn1cc(C(=O)N(C)C[C@H]2CCN2[C@H]2CCNC2=O)nn1 1085862343 WOIWVCDHCAINIQ-YPMHNXCESA-N 318.381 -0.501 30 20 DBED CC#CCN1C[C@H]2CC[C@H]1[C@H]1CN(C(=O)Cn3ncnn3)C[C@H]21 1087359411 VTVRGYQYOFROHI-KBXIAJHMSA-N 314.393 -0.135 30 20 DBED CCN(c1cnc(C#N)cn1)[C@H](C)CNC(=O)[C@H](C)NC(N)=O 1089632086 YNSYKPAGQWJIAO-ZJUUUORDSA-N 319.369 -0.264 30 20 DBED C[C@H]1[C@@H](Nc2cncc(C#N)n2)CCN1C(=O)CNC(N)=O 1090195909 ACXSIORAMOMMKC-WPRPVWTQSA-N 303.326 -0.582 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cc3c(cn2)OCCO3)[C@H](O)C1 1090330077 QTWJFDZZCWOALB-WCQYABFASA-N 317.345 -0.349 30 20 DBED CCOCC(=O)N[C@@H]1CN(c2nc(C)cc(C#N)n2)C[C@H]1O 1090366009 YVZSWNKQJCDQNO-VXGBXAGGSA-N 305.338 -0.641 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)CC3(O)CCC3)C2)nn1 1090411394 VISXEIVYYJYXSA-VXGBXAGGSA-N 317.349 -0.681 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1CN(c2nccn3nnnc23)C[C@H]1O 1090515740 CYRLESMKDXKQRO-NXEZZACHSA-N 317.353 -0.603 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2cc(C(N)=O)co2)[C@@H](O)C1 1090566408 LXZXDLJPQPDEOD-RYUDHWBXSA-N 305.334 -0.433 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)c2c[nH]c(C(N)=O)c2)[C@@H](O)C1 1090813335 OYHQWIBCWHDXOJ-YPMHNXCESA-N 306.366 -0.145 30 20 DBED C=C(C)CNC1CC(CNC(=O)c2cn(C)c(=O)n(C)c2=O)C1 1091263798 VRPJXWAGDGGTLT-UHFFFAOYSA-N 320.393 -0.242 30 20 DBED CC(C)(O)CC(=O)N[C@H]1CCN(c2ccnc(C#N)n2)C[C@H]1O 1092146797 WBYUIDAKTBUGIK-WDEREUQCSA-N 319.365 -0.435 30 20 DBED C#CCO[C@H](C)C(=O)NC1[C@H]2CN(c3ccnc(C#N)n3)C[C@H]12 1093310653 KBLPEYNWGYILAF-WOPDTQHZSA-N 311.345 -0.063 30 20 DBED N#Cc1ccc(NCCNC(=O)C[C@H]2CCS(=O)(=O)C2)nn1 1093992231 YCLGEHKDRJGFOJ-SNVBAGLBSA-N 323.378 -0.299 30 20 DBED Cc1cc(=NCCNC(=O)[C@H]2CC[C@H]2C(N)=O)c(C#N)c[nH]1 1094035216 WPOFGIWIMCAWHX-NEPJUHHUSA-N 301.350 -0.277 30 20 DBED N#Cc1ccc(NCCCNC(=O)CN2C(=O)CNC2=O)nc1 1094424679 LMUBBAUXKPZWEA-UHFFFAOYSA-N 316.321 -0.577 30 20 DBED CNC(=O)CCCCC(=O)NCCCN=c1cc[nH]c(C#N)n1 1094476024 LPKPTTYLSZNFPU-UHFFFAOYSA-N 318.381 -0.005 30 20 DBED CN(c1ncc(C#N)cc1F)[C@@H]1CCN(C(=O)CNC(N)=O)C1 1095091044 BJBHCSYIWKHWLC-SNVBAGLBSA-N 320.328 -0.202 30 20 DBED CN(C)C(=O)CC(=O)NCCCN(C)c1ccc(C#N)nn1 1095752520 PDBOUFJBCAXHTK-UHFFFAOYSA-N 304.354 -0.231 30 20 DBED N#Cc1ccc(N2CC[C@@H](NC(=O)C3(C(N)=O)CC3)C2)nn1 1096476969 VKDSHUIHHAGOLJ-SNVBAGLBSA-N 300.322 -0.691 30 20 DBED N#Cc1nc(=N[C@H]2C[C@H](NC(=O)C3(C(N)=O)CC3)C2)cc[nH]1 1097097457 GLFQNJJKEPMCDF-KYZUINATSA-N 300.322 -0.905 30 20 DBED N#Cc1cncc(N[C@H]2C[C@@H](NC(=O)CNC(=O)C3CC3)C2)n1 1097155153 CWECSJMPGDQTKV-PHIMTYICSA-N 314.349 -0.066 30 20 DBED C[C@@H](CNC(=O)CNC(=O)C1CC1)Nc1ccc(C#N)nn1 1097687303 VYNLUGJJLOFMEG-VIFPVBQESA-N 302.338 -0.209 30 20 DBED C[C@H](CNC(=O)CCS(C)(=O)=O)N=c1cc[nH]c(C#N)n1 1098393436 YKEKHKMUQNQOSP-SECBINFHSA-N 311.367 -0.879 30 20 DBED Cn1ccc(=O)c(C(=O)N2CCC(N(CC#N)CCO)CC2)c1 1098423785 DNCHUPQREMAXAO-UHFFFAOYSA-N 318.377 -0.192 30 20 DBED C[C@H](CCNC(=O)Cn1cnnc1O)Nc1cnc(C#N)cn1 1098989183 JVZUOZAYOXZDRN-SECBINFHSA-N 316.325 -0.348 30 20 DBED COCC#CCN1CC[C@H](NC(=O)C(=O)C(C)(C)C)[C@H](O)C1 1099747284 VVSWRXYYWQJWIO-QWHCGFSZSA-N 310.394 -0.197 30 20 DBED C=CCN1CC[C@@H](NC(=O)COCc2ccnn2C)[C@H](O)C1 1099890387 RNHJHLZSTFTUCG-ZIAGYGMSSA-N 308.382 -0.326 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)c2ccnnc2)[C@@H](O)C1 1100014034 XBHKCYYWIKVWJL-KGLIPLIRSA-N 306.366 -0.156 30 20 DBED CN(CCNC(=O)[C@@H]1CCC(=O)N1C)c1ccnc(C#N)n1 1100264671 XWFNMMNMDOWFHT-JTQLQIEISA-N 302.338 -0.479 30 20 DBED CO[C@H](C)CCC(=O)NCC1CC(NCC(=O)NCC#N)C1 1100266559 NBCOFEWLMQWSNP-PNESKVBLSA-N 310.398 -0.074 30 20 DBED CCC(=O)NCC(=O)NCCN(CC)c1cncc(C#N)n1 1100469610 YBQRUVGMVRFWCD-UHFFFAOYSA-N 304.354 -0.183 30 20 DBED N#Cc1cncc(N(CCNC(=O)[C@H]2COCCO2)C2CC2)n1 1101285727 SLDSIULZCVQODS-CYBMUJFWSA-N 317.349 -0.151 30 20 DBED N#Cc1ccc(N(CCNC(=O)[C@@H]2CNC(=O)N2)C2CC2)nc1 1101432591 FKNGXNSWMDUILK-LBPRGKRZSA-N 314.349 -0.280 30 20 DBED CN(CCNc1ccc(C#N)nn1)C(=O)CN1CCOCC1=O 1102011951 AAPXMTXMIDMAFV-UHFFFAOYSA-N 318.337 -0.923 30 20 DBED CC(=O)NCC(=O)N1C[C@@H]2CC[C@H](C1)N2c1ccnc(C#N)n1 1102182984 XDSUPQURFADAMM-TXEJJXNPSA-N 314.349 -0.336 30 20 DBED CC[C@@H](CNC(=O)CCn1cncn1)N=c1cc[nH]c(C#N)n1 1102976669 UZNZQFYZYOWUFX-NSHDSACASA-N 314.353 -0.241 30 20 DBED CC[C@@H](CNC(=O)[C@@H](C)CC(N)=O)N=c1cc[nH]c(C#N)n1 1103279808 WDMPLTLBUXBTSP-UWVGGRQHSA-N 304.354 -0.412 30 20 DBED C[C@H](CNC(=O)[C@H]1CCN(C)C1=O)CNc1cnc(C#N)cn1 1104158903 DYJKBFZRSVMTPB-CMPLNLGQSA-N 316.365 -0.009 30 20 DBED C[C@@H](CNc1cncc(C#N)n1)N(C)C(=O)[C@H]1CN(C)CCO1 1104539251 XAPMJZFCBORTDG-WCQYABFASA-N 318.381 -0.062 30 20 DBED C=CCNCc1cn(C2CN(C(=O)c3cncn3C)C2)nn1 1105278550 JOFKRYCVDPODIH-UHFFFAOYSA-N 301.354 -0.016 30 20 DBED CN(CCN(C)c1cnc(C#N)cn1)C(=O)[C@H]1CCCC(=O)N1 1105491666 XHSSGLHQGHLUHH-GFCCVEGCSA-N 316.365 -0.088 30 20 DBED C#CCN[C@@H]1C[C@]2(C[C@H]1O)CN(C(=O)CNC(N)=O)[C@@H]2C(C)C 1105594917 XJNQRGLYOCRCNA-NCZKRNLISA-N 322.409 -0.746 30 20 DBED CCCC(=O)NCC(=O)NC[C@H](O)CNc1ccc(C#N)nc1 1105727531 PJBODSVRZKGAKD-CYBMUJFWSA-N 319.365 -0.241 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)CN2CCCC2)nn1 1105854928 BYXYFGKXSQCSTB-GFCCVEGCSA-N 304.354 -0.667 30 20 DBED N#Cc1cccnc1NC[C@H](O)CNC(=O)[C@@]12COC[C@@H]1C2 1106145152 IUIQHVXJEWSQKB-HUBLWGQQSA-N 302.334 -0.121 30 20 DBED CCN(CCN=c1cc[nH]cc1C#N)C(=O)CNC(=O)NC 1106983352 DSLPSFNXPFGDQC-UHFFFAOYSA-N 304.354 -0.435 30 20 DBED N#CCN1CC(n2cc(CNC(=O)CO[C@H]3CCOC3)nn2)C1 1107172761 KSFIFQUTITVUHR-ZDUSSCGKSA-N 320.353 -0.920 30 20 DBED COCC(=O)N(C)CC(=O)N[C@H](C)CNc1ccc(C#N)nn1 1108174203 NZLNPKFYAKBZGW-SNVBAGLBSA-N 320.353 -0.630 30 20 DBED C[C@@H](CNc1ccc(C#N)nn1)NC(=O)CCN1CCOCC1 1108442596 XRULETQSQMBCEB-LBPRGKRZSA-N 318.381 -0.013 30 20 DBED COCC#CCN1CC(N2C[C@H](NC(=O)[C@H]3C[C@@H]3C)CC2=O)C1 1108561386 YOJRMYOWKGETKX-GUTXKFCHSA-N 319.405 -0.307 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H]1COCCO1 1108954418 LMLWYTBHFZGLJF-CBBWQLFWSA-N 308.378 -0.227 30 20 DBED N#Cc1nccc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)CCn2cncn2)n1 1109681578 ZRPRLPDTMANECD-JRPNMDOOSA-N 324.348 -0.277 30 20 DBED CC1(NC(=O)CC(N)=O)CCN(c2ccnc(C#N)n2)CC1 1110589207 FSNISBBNANLPBG-UHFFFAOYSA-N 302.338 -0.301 30 20 DBED C[C@H](C#N)C(=O)NC[C@]1(O)CCN(c2ccc(C#N)nn2)C1 1111042291 RZAAJIDGCCJCNE-QMTHXVAHSA-N 300.322 -0.435 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1COCCN1c1ccc2nnnn2n1 1111662957 KVXMJTYZOBXXEV-UWVGGRQHSA-N 316.325 -1.000 30 20 DBED CN(CCCN(C)c1ccc(C#N)nn1)C(=O)[C@H]1CNC(=O)N1 1112168296 GVSGOXIMRNLPEA-LLVKDONJSA-N 317.353 -0.686 30 20 DBED C[C@@H]1CN(c2ccc(C#N)nn2)CC[C@@H]1NC(=O)CC(N)=O 1112394424 AJZSNTWXOQWOBE-KOLCDFICSA-N 302.338 -0.445 30 20 DBED N#CCSCC(=O)N1CCN([C@@H]2CCC(=O)NC2=O)CC1 1112630197 PPVRLVUISLBYJD-SNVBAGLBSA-N 310.379 -0.807 30 20 DBED CCOCC(=O)NC1(CO)CCN(c2ccnc(C#N)n2)CC1 1112648568 XPHJBTAACZYVGC-UHFFFAOYSA-N 319.365 -0.168 30 20 DBED C#CCNC(=O)CC(=O)N1CCN([C@H](C)c2nnc(C)o2)CC1 1112779370 XGWWFUWGWVUALM-LLVKDONJSA-N 319.365 -0.277 30 20 DBED C[C@H](N=c1cc[nH]c(C#N)n1)[C@@H](C)NC(=O)CCn1ccnn1 1113016831 JKPIEDHZMJPZEA-WDEREUQCSA-N 314.353 -0.243 30 20 DBED COC[C@H](OC)C(=O)NC[C@@H](C)N(C)c1nccnc1C#N 1113858058 QQLWJYVRPNFMFE-PWSUYJOCSA-N 307.354 -0.049 30 20 DBED C#CCCCCC(=O)NC1[C@H]2CN(Cc3nnnn3C)C[C@H]12 1114159760 LGFPOSIKCLYSKG-RYUDHWBXSA-N 302.382 -0.050 30 20 DBED CNC(=O)CC(=O)N1C[C@H]2CC[C@H]1CN2c1nccnc1C#N 1114388388 UOLUJBBKHVTSTH-WDEREUQCSA-N 314.349 -0.336 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)COCC(F)F)[C@H]2C1 1114619461 WTAMMEPSNCTIRW-MSRIBSCDSA-N 317.336 -0.383 30 20 DBED C=CCN1C[C@H]2[C@H](NC(=O)[C@@H](CCC)S(N)(=O)=O)[C@H]2C1 1114621759 PVEBUCWUSJSEJX-KXNHARMFSA-N 301.412 -0.324 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]32)cc1 1114660600 NNJINDSEGGMPLM-QLPKVWCKSA-N 322.368 -0.032 30 20 DBED C=CC(C)(C)C(=O)NC1[C@@H]2CN(CC(=O)NC(=O)NC)C[C@@H]12 1114683980 YKFVOUMYTUOUAQ-NXEZZACHSA-N 308.382 -0.299 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)C[C@@H](C)COC)[C@H]2C1 1115051977 DGANWWRNIZNCEF-FOCJUVANSA-N 307.394 -0.545 30 20 DBED CO[C@@H](C)C(=O)NCCOCCN(C)c1cnc(C#N)cn1 1115183180 BGMRTXGNHVARIP-NSHDSACASA-N 307.354 -0.048 30 20 DBED C#CCCCCNC(=O)C(=O)NC[C@H]1CCCCS1(=O)=O 1117375865 UARVIMKBPPRVSQ-GFCCVEGCSA-N 314.407 -0.010 30 20 DBED Cn1ncc(C(=O)NC[C@H](CO)Nc2ncccc2C#N)n1 1121768865 BWKPMRVQKOPOTE-SNVBAGLBSA-N 301.310 -0.715 30 20 DBED CN(C)C(=O)CC(=O)NC[C@H](CO)Nc1ncc(C#N)cc1F 1122637904 YQMFZWUNSXYGMZ-SNVBAGLBSA-N 323.328 -0.540 30 20 DBED N#Cc1nccc(N2CC[C@]3(NC(=O)CC(N)=O)CCC[C@@H]23)n1 1123394468 PGELAOLZRCDEQA-MEBBXXQBSA-N 314.349 -0.159 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)[C@@]1(F)CCOC1 1124665942 WPPGYPQETKIXLR-IINYFYTJSA-N 323.328 -0.870 30 20 DBED C[C@H](C#N)C(=O)N(C)C[C@@H](O)CN(C)c1nccnc1C#N 1124987514 AXUIVBXHRWJNOC-MNOVXSKESA-N 302.338 -0.237 30 20 DBED C=C(C)CN(CC)C(=O)CNCCNC(=O)[C@@H]1COC(=O)N1 1126548471 LWCBXKGVOGVWBQ-NSHDSACASA-N 312.370 -0.775 30 20 DBED C=C[C@](C)(O)CC(=O)NCc1cnn2c1CN(CCO)CC2 1128327515 QNHCFNYFOOVUKK-HNNXBMFYSA-N 308.382 -0.366 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)Cc1cnn(C)c1C 1129066329 XTDDDXDWAOIRGN-LLVKDONJSA-N 305.382 -0.885 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)CCNC(=O)NC)C[C@@]3(C1)O2 1131227249 KOVOAVIJHCTUOO-XJKCOSOUSA-N 320.393 -0.760 30 20 DBED N#Cc1cc(CNCCNC(=O)[C@@H]2CNC(=O)N2)ccc1F 1133129518 ZLUQDJMZNVIAND-LBPRGKRZSA-N 305.313 -0.415 30 20 DBED C[C@H](C[C@@H](C)NC(=O)C1=COCCO1)NCC(=O)NCC#N 1133580568 BZPCOCKCQGLABB-GHMZBOCLSA-N 310.354 -0.613 30 20 DBED C#Cc1ccc(C(=O)NCCN[C@H]2CCC(=O)NC2=O)cn1 1148382948 LJGJHGWABDWWEY-LBPRGKRZSA-N 300.318 -0.813 30 20 DBED CNC(=O)c1cccc(C(=O)NCCNCC#CCOC)n1 1149463424 ARNOJHRJKDNZQO-UHFFFAOYSA-N 304.350 -0.590 30 20 DBED C=CCO[C@H](C)C(=O)NC[C@H]1CN(CC(=O)NC)CCCO1 1150810738 HTHJROCBTWXUNN-OLZOCXBDSA-N 313.398 -0.469 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)Cn1ccnc1 1157287416 VHMSFXJJJDWACO-GFCCVEGCSA-N 306.370 -0.651 30 20 DBED C[C@@H](CCCCNCC#N)NC(=O)CNS(=O)(=O)N(C)C 1175503228 NSPGHHLBFOLLGQ-NSHDSACASA-N 319.431 -0.829 30 20 DBED C#CCCNCCCC[C@@H](C)NC(=O)CS(=O)(=O)NC 1176639389 UOOQUSFOGICDAN-GFCCVEGCSA-N 303.428 -0.177 30 20 DBED C=CCNC(=O)CNC[C@]1(C)CN(C(=O)c2nc[nH]n2)C[C@H]1C 1182917646 VSQQBGPTQUXDLX-IAQYHMDHSA-N 320.397 -0.205 30 20 DBED C#CCNC[C@@H]1CCN(C(=O)CNS(=O)(=O)CC)C[C@H]1C 1184525257 VPRLDIMSOSSJAU-OLZOCXBDSA-N 315.439 -0.367 30 20 DBED C=C(C)CNCc1cn([C@H]2CCCN(C(=O)CC(N)=O)C2)nn1 1185898573 DSRAFCTZZHBYEZ-ZDUSSCGKSA-N 320.397 -0.017 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)Cc2[nH]cnc2C)C1 1187420207 FOHWCCMBDIUQFQ-GFCCVEGCSA-N 303.366 -0.799 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)CNC(=O)CCC)C1 1189171201 USBDSJBHPKUJAY-ZDUSSCGKSA-N 322.409 -0.815 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)Cc2cc(C)on2)C1 1189417905 GCXZZHODCWLZIL-CQSZACIVSA-N 318.377 -0.192 30 20 DBED Cc1cc(C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@H]2O)c(C)o1 1190936872 KKQRKKDDCINUMZ-CHWSQXEVSA-N 320.349 -0.689 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(CC(=O)NCC(C)C)C[C@H]1O 1191777249 GSFDJZGDEZPBDR-CHWSQXEVSA-N 313.398 -0.878 30 20 DBED CO[C@H](C(=O)N1CC[C@H](N(C)CC(=O)NCC#N)C1)C(C)C 1192162811 RRKZWFUIDSQLHQ-JSGCOSHPSA-N 310.398 -0.170 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)C[C@@H](C)SC)C1 1192313210 OYAHMNDBBUWEGY-JHJVBQTASA-N 300.424 -0.061 30 20 DBED CC[C@H](NC(C)=O)C(=O)N1CC[C@H](N(C)CC(=O)NCC#N)C1 1192464251 HVEFZWRMJIVFFO-STQMWFEESA-N 323.397 -0.926 30 20 DBED CCN1CC[C@H](N2C[C@@H](O)[C@H](NC(=O)C#CC3CC3)C2)C1=O 1192826851 JWMOPEAYHLVINV-HZSPNIEDSA-N 305.378 -0.818 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C2(CCC=C)CC2)C1 1195906356 XLQJWOSYEKNWBV-ZIAGYGMSSA-N 319.405 -0.357 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)CCCC(=O)NCCC)C1 1197919688 MLXDWLRMVDEVMO-ZIAGYGMSSA-N 309.410 -0.133 30 20 DBED C[C@H](OCC(=O)N[C@@H]1CN(CC#N)C[C@H]1O)c1nccn1C 1198234465 ZPJVEZYPWVZSHT-QJPTWQEYSA-N 307.354 -0.817 30 20 DBED COCC#CCN1CCCN(C(=O)[C@H](C)N2CCOCC2)CC1 1198411783 SFJAWQMFLIXBFA-INIZCTEOSA-N 323.437 -0.109 30 20 DBED C[C@](O)(CC(=O)N1CCC(NCC(=O)NCC#N)CC1)C1CC1 1200094536 DOAYMPPAQZZUIF-INIZCTEOSA-N 322.409 -0.242 30 20 DBED N#CCNC[C@H]1CN(C(=O)c2ccn3nnnc3c2)CCCO1 1201121162 UJOUJOWSZAQDEJ-LBPRGKRZSA-N 315.337 -0.531 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 1201150119 XIKIVEAEUMCWIV-INIZCTEOSA-N 322.453 -0.097 30 20 DBED COCC#CCNC1CCN(C(=O)[C@@H]2CC[C@H]2C(N)=O)CC1 1201959779 QLEPYKBWTUUOJA-ZIAGYGMSSA-N 307.394 -0.272 30 20 DBED C=CCOCC(=O)N1CCC(CNCc2nc(=O)n(C)[nH]2)CC1 1204793458 HNJLZCGARJCWNP-UHFFFAOYSA-N 323.397 -0.361 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)CNC(=O)CC)[C@H](C)C1 1206641487 ULILBPJYETXRQO-JHJVBQTASA-N 324.425 -0.360 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)[C@H](C)NC(=O)CC)[C@H](C)C1 1207078114 IHXBVMWLVBJIIA-FRRDWIJNSA-N 322.409 -0.913 30 20 DBED Cn1nccc1CC(=O)N1CCC[C@@H](NCC(=O)NCC#N)C1 1207914752 ODYIJGZGGUWSSM-GFCCVEGCSA-N 318.381 -0.817 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC[C@@H](NCc2nc(=O)n(C)[nH]2)C1 1208018911 WEBHKAIEEXZPME-NWDGAFQWSA-N 321.381 -0.773 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@@]23COC[C@@H]2C3)C1 1208084603 RJDOBGHFSGLQQA-ZOWXZIJZSA-N 306.366 -0.757 30 20 DBED C#CCCN[C@H]1CCCN(C(=O)CNS(=O)(=O)CC)C1 1208274526 WYJKFZAMOPGMDR-LBPRGKRZSA-N 301.412 -0.470 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCC[C@H](NCC(=O)NC)C1 1208352808 PCMOYGTZPDTTIK-KBPBESRZSA-N 306.410 -0.589 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2coc(C)n2)[C@H](OC)C1 1212163621 DEYFYYGZSZOCNN-DGCLKSJQSA-N 320.349 -0.839 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@H]2OC)C1 1213423142 KZYGHJFTDGRZMQ-CHWSQXEVSA-N 320.393 -0.202 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)CCOCC#C)C[C@H]1C 1214611071 NNVGUGMHYMUJPJ-QLFBSQMISA-N 319.405 -0.399 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H](CC)OC 1217434181 AZVPTHIGWBREOR-BFHYXJOUSA-N 323.393 -0.928 30 20 DBED CC(C)c1nnc(CN2C[C@H](O)[C@H](NC(=O)[C@@H](C)C#N)C2)n1C 1219378733 DFJZLXILNJQLIN-TUAOUCFPSA-N 320.397 -0.241 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)C[C@H]2CCCOC2)C1 1220985672 AYIDRXYLIGDRKW-KFWWJZLASA-N 310.394 -0.386 30 20 DBED COCC#CCN1CC[C@@H]2CN(C(=O)CNC(=O)OC)[C@@H]2C1 1221334648 NDXSCYNHEQYIHG-CHWSQXEVSA-N 309.366 -0.475 30 20 DBED C=CCOCCN1CC[C@@H]2CN(C(=O)[C@@H]3CNC(=O)N3)[C@@H]2C1 1221775000 DVVKNEJJHYUYHZ-FRRDWIJNSA-N 308.382 -0.597 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCC#N 1225947499 XDTUPLJPQWSIKR-XJKCOSOUSA-N 322.409 -0.030 30 20 DBED N#CCNC(=O)CN1CCC(NC(=O)[C@@H]2CCCCO2)CC1 1226883514 GLCDCTRNAJLVCG-ZDUSSCGKSA-N 308.382 -0.224 30 20 DBED C=C[C@](C)(O)CC(=O)NC1CCN(CCN2CCNC2=O)CC1 1227124015 LKVPUGSLLMKBQS-INIZCTEOSA-N 324.425 -0.081 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC(NC(=O)c2cncn2C)CC1 1228175648 GAXHKSVGBYBJTP-GFCCVEGCSA-N 317.393 -0.248 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)C[C@H]1CCCO1 1230865723 HUPXSVGRGQNGOX-UONOGXRCSA-N 307.394 -0.162 30 20 DBED CN(C[C@@H]1CCN1CC(=O)NCC#N)C(=O)c1cncnc1 1233819848 QOEFVFTULOUJIL-LBPRGKRZSA-N 302.338 -0.737 30 20 DBED CN(C[C@@H]1CCN1[C@@H]1CCC(=O)NC1=O)C(=O)C#CC1CC1 1234179956 YUSOEHXEMPYAHZ-QWHCGFSZSA-N 303.362 -0.262 30 20 DBED COCC#CCN1CC[C@@H]1CN(C)C(=O)[C@H]1OCCO[C@H]1C 1235473348 WDUBOBOFKGPCRK-ZNMIVQPWSA-N 310.394 -0.027 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)NCc1cccc(C(=O)NC)c1 1261148509 BNSHEKVLDFDRFN-CYBMUJFWSA-N 319.361 -0.020 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)NCCN(C)CC(F)(F)F 1261149315 YLONZLXSKARYMP-SECBINFHSA-N 311.304 -0.086 30 20 DBED N#CCNC(=O)COC(=O)Cc1csc(-c2nc[nH]n2)n1 1318454479 RXTBMMAYTAQFKY-UHFFFAOYSA-N 306.307 -0.346 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1 1323307288 LYNDBQFBSZOSFU-RYUDHWBXSA-N 321.381 -0.568 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CC[C@@](C)(CN)C2)nn1 1326582886 AEOLGQTXHCIMNS-AWEZNQCLSA-N 306.370 -0.722 30 20 DBED C#CCCCCNC(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 1326741876 MOYVPJADZOUPFO-KGLIPLIRSA-N 307.394 -0.115 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)NCc2ccn3ccnc3c2)CCO1 1326787909 UOLCBCIHKIRRNN-LBPRGKRZSA-N 313.317 -0.299 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N(CC)CCSC 1328318416 QYSVBNKZVYBZJZ-UHFFFAOYSA-N 322.452 -0.085 30 20 DBED C[C@@H](CS(C)(=O)=O)NC(=O)C(=O)NCc1cccc(C#N)c1 1328856531 ZKSYUYHGNOMLQN-JTQLQIEISA-N 323.374 -0.276 30 20 DBED C=CCN(C(=O)[C@H](N)CCN(C)C)[C@@H]1CCS(=O)(=O)C1 1329761404 YYCRXEUFNHNBBQ-VXGBXAGGSA-N 303.428 -0.533 30 20 DBED C=CCn1cc(C(=O)NCC2(OCCO)CCOCC2)nn1 1332486129 WFHDRVBQZDLHDS-UHFFFAOYSA-N 310.354 -0.248 30 20 DBED CC#CC[C@H](CO)NC(=O)Cc1c(C)[nH]c2ccnn2c1=O 1332506707 HWJSWYGYIGMEGQ-LLVKDONJSA-N 302.334 -0.236 30 20 DBED C#CCN(C(=O)C(=O)N[C@@H]1CCN(C(=O)NCC)C1)C(C)C 1334259097 WSYMLAYPJCICNH-GFCCVEGCSA-N 308.382 -0.223 30 20 DBED C#CCOCCn1nnnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1334393014 NDBFJQQIMXNKQT-CHWSQXEVSA-N 307.354 -0.293 30 20 DBED CC(=O)N1CCN(C(=O)C(=O)N2CCC[C@@H](C#N)C2)[C@@H](C)C1 1336339056 ZGDPXYCVLQLZMJ-AAEUAGOBSA-N 306.366 -0.172 30 20 DBED C=CCn1c([C@H](O)COC)nnc1N1CCO[C@H](COC)C1 1342470840 DMONMWNSIAJDQG-NWDGAFQWSA-N 312.370 -0.005 30 20 DBED C=CCN(C(=O)[C@H](O)c1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1344741712 XJEBHWDNBBYWFV-VXGBXAGGSA-N 313.379 -0.345 30 20 DBED CCOC(=O)C[C@@H](C)NC(=O)Cn1cc(C#N)c(O)nc1=O 1362497465 VRDNQRANQWQFHS-MRVPVSSYSA-N 308.294 -0.722 30 20 DBED C[C@H](C(=O)N1CCN[C@@H](c2cnn(C)c2)C1)n1cnc(C#N)n1 1363407152 NSOBZTLPWPGVDI-ZYHUDNBSSA-N 314.353 -0.383 30 20 DBED Cc1nc(CN2CCN(CCNC(=O)[C@H](C)C#N)CC2)n[nH]1 1369885400 DHMJXQGOCZXXPJ-LLVKDONJSA-N 305.386 -0.493 30 20 DBED Cc1nonc1CC(=O)N(C)C[C@H](O)CNC(=O)[C@@H](C)C#N 1371031264 MNDGMEDJVNEHMP-WCBMZHEXSA-N 309.326 -0.984 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(CCNC(=O)c2cn[nH]c2)CC1 1372204493 ADKLTZRFUIUFJM-NSHDSACASA-N 304.354 -0.557 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CCN(C(=O)c2cccc(C(N)=O)n2)C1 1372306200 WXFXKLZNXRXMKG-ZJUUUORDSA-N 315.333 -0.329 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H](CNC(=O)c1cnc(O)n1C)C1CC1 1372411647 KVNBSTVQRMUCNU-WPRPVWTQSA-N 305.338 -0.090 30 20 DBED CC[C@@H](CNC(=O)c1ccc(C(N)=O)cn1)NC(=O)[C@@H](C)C#N 1388111425 JIWACCSNQVINQN-ONGXEEELSA-N 317.349 -0.035 30 20 DBED Cc1noc(C)c1CC(=O)NC[C@H](O)CNC(=O)[C@@H](C)C#N 1392096825 YTLSNRZRYWGLEQ-KWQFWETISA-N 308.338 -0.413 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](NC(=O)CCn1cnnn1)C(C)(C)C 1396152774 SRLJNHSYRHJMSM-WDEREUQCSA-N 321.385 -0.130 30 20 DBED N#Cc1ccc(C(=O)NC[C@@H](O)CNC(=O)C[C@@H]2CCOC2)[nH]1 1399810885 UHENCIDPAGGUCX-JQWIXIFHSA-N 320.349 -0.480 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C[C@H](O)Cc2ccccc2)C1 1407398453 NXEBYGAEDRZQOK-DZGCQCFKSA-N 317.389 -0.087 30 20 DBED C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)N(C)C(=O)c1cnn[nH]1 1411523517 NUIUJLOMOYMBGH-QMMMGPOBSA-N 301.310 -0.105 30 20 DBED N#Cc1ncn(CCNC(=O)Nc2nc3n(n2)CCCC3)n1 1414466893 OPEILPOOQAWGSN-UHFFFAOYSA-N 301.314 -0.101 30 20 DBED Cc1ccc(C(=O)NC[C@H](O)CNC(=O)[C@@H](C)C#N)c(O)n1 1416782027 MGULLPVBFHEMMC-WCBMZHEXSA-N 306.322 -0.538 30 20 DBED C=C(Cl)CN1CC(O)(CNC(=O)[C@H]2CCCN2C(C)=O)C1 1421504988 MNNNSGYKUWUCIJ-GFCCVEGCSA-N 315.801 -0.087 30 20 DBED CCN(CCC#N)C(=O)CN1CCO[C@H](CNC(=O)C2CC2)C1 1421780711 DUNIZTOPHRTALK-CQSZACIVSA-N 322.409 -0.024 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@](C)(NC(=O)CN2CCOCC2=O)C1 1432571299 GBTOZZFYAYHYRM-NHYWBVRUSA-N 322.365 -0.888 30 20 DBED C[C@@]1(CO)CN(C(=O)NCCn2cnc(C#N)n2)C[C@]1(C)CO 1434800959 ZOZDRTNISBVDGE-OKILXGFUSA-N 322.369 -0.828 30 20 DBED C[C@@H](C#N)C(=O)NCC(C)(C)CN(C)C(=O)[C@H]1C[C@H]1C(N)=O 1442608962 MPNABLDQYUZBCL-AXFHLTTASA-N 308.382 -0.132 30 20 DBED Cn1c(=O)[nH]c(N[C@@H]2CC(=O)N(C(C)(C)C)C2)c(C#N)c1=O 1458228112 FBXCDGCUPIUNPA-MRVPVSSYSA-N 305.338 -0.243 30 20 DBED C[C@H]1CN(C(=O)NCCn2cc(C#N)c(O)nc2=O)C[C@@H](C)O1 1475510399 UCFBMDYVDNRKIC-AOOOYVTPSA-N 321.337 -0.361 30 20 DBED CO[C@H](C)C(=O)N(CCO)C1CCN(C(=O)[C@H](C)C#N)CC1 1490155793 MHBUYFPPHGSEIF-VXGBXAGGSA-N 311.382 -0.007 30 20 DBED CCCNC(=O)NC(=O)CNC[C@@H](C)CNC(=O)[C@H](C)C#N 1495633422 OUDXHOOOJBYZKD-GHMZBOCLSA-N 311.386 -0.276 30 20 DBED CC(C)C[C@@H](CNC(=O)[C@H](C)C#N)NC(=O)Cn1cnnn1 1532424146 NRGWVEZVWQOGMO-MNOVXSKESA-N 307.358 -0.520 30 20 DBED N#Cc1ncc(NC[C@@H](O)C2CCOCC2)nc1-c1nn[nH]n1 1570918663 SAYVQYXEFGZDLY-SNVBAGLBSA-N 316.325 -0.272 30 20 DBED N#Cc1ncc(N(CCO)Cc2cccnc2)nc1-c1nn[nH]n1 1570931678 LHGDESZJHJNMRC-UHFFFAOYSA-N 323.320 -0.078 30 20 DBED CNC(=O)NC[C@@H]1COCCN1C(=O)[C@@H](N)CCCCC#N 1578558196 RITGXYOYBAUYHD-NEPJUHHUSA-N 311.386 -0.446 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CC[C@@H](C(=O)O)C2)CC1 1588483613 DJOBJBVZLDEYQI-QWHCGFSZSA-N 321.377 -0.619 30 20 DBED C#Cc1cccc(NC(=O)C(=O)N2C[C@@H](O)C[C@@H](C(=O)O)C2)c1 1588523908 XXSZPNDQALQURG-YPMHNXCESA-N 316.313 -0.100 30 20 DBED C=CCOC[C@H](NS(=O)(=O)N(C)[C@H](C)CC#N)C(=O)O 1588866360 MQFOTNAPHAOMII-ZJUUUORDSA-N 305.356 -0.289 30 20 DBED C[C@H](C(=O)Nc1ccc(C#N)cn1)n1cnc(-c2nn[nH]n2)n1 1589015723 OWYGNDHEPSUYQW-SSDOTTSWSA-N 310.281 -0.075 30 20 DBED CCC(C)(C)C(=O)Cn1c(=O)c(C#N)cn(CC(=O)O)c1=O 1589447947 SMDLRLJXNCKKLN-UHFFFAOYSA-N 307.306 -0.028 30 20 DBED COCC[C@@H]1COCCN1c1cnc(C#N)c(-c2nn[nH]n2)n1 1591402567 AAWILWVDARZMLN-SECBINFHSA-N 316.325 -0.230 30 20 DBED N#Cc1c(-c2nn[nH]n2)nc(N)n1Cc1n[nH]c2c1COCC2 1592684173 QLJJSIMEDKHCNQ-UHFFFAOYSA-N 312.297 -0.639 30 20 DBED N#CCC1(CS(=O)(=O)N2C[C@@H](C(=O)O)C[C@@H](O)C2)CC1 1601062505 JIMALINPYYWQKQ-VHSXEESVSA-N 302.352 -0.223 30 20 DBED N#CCN(CC(=O)O)C(=O)CCN/C(O)=C1/N=CC=CC1=O 1601069082 DJXNJNKMEMKZMC-SEYXRHQNSA-N 306.278 -0.660 30 20 DBED C#C[C@@H](NS(=O)(=O)N1CCC[C@H]1C(=O)O)[C@H]1CCCO1 1602671746 FVPPHHQKURJCMX-OUAUKWLOSA-N 302.352 -0.449 30 20 DBED C=CCOCCNC(=O)C1(C(=O)O)CCS(=O)(=O)CC1 1602728738 ANLFAODJTSAWSZ-UHFFFAOYSA-N 305.352 -0.415 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N1CCN(C)C[C@@H](C(=O)O)C1 1602901963 IKVNGVHRMLUQIJ-GHMZBOCLSA-N 312.370 -0.665 30 20 DBED C#CCOc1ccc(NC(=O)C(=O)NC[C@@](C)(O)C(=O)O)cc1 1609624068 YLXINVXJIHSXBN-OAHLLOKOSA-N 320.301 -0.411 30 20 DBED C[C@H](NCCS(=O)(=O)c1ccc(C#N)cn1)c1nnnn1C 1650154328 LKOPDGGTWPEXFT-VIFPVBQESA-N 321.366 -0.399 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@H]1C[C@H](NC(=O)[C@H]2CCCN2C)C1 1725355377 GFVAZMLJAODKRJ-ZQDZILKHSA-N 320.437 -0.297 30 20 DBED CN1CCC[C@H]1CCC(=O)N[C@H]1C[C@@H](NCC(=O)NCC#N)C1 1752740118 TWBXAZOHVALHMI-MJBXVCDLSA-N 321.425 -0.263 30 20 DBED C=C(C)CCN[C@H]1C[C@@H](NC(=O)C[C@H](NC(C)=O)C(N)=O)C1 1752769876 XERBMMVVBJTCNX-XQQFMLRXSA-N 310.398 -0.431 30 20 DBED C#CCNC(=O)CN[C@H]1CCC[C@@H](NC(=O)c2cnsn2)C1 1752966606 URBRDMNXYJDQSI-WDEREUQCSA-N 321.406 -0.082 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)CCNC(=O)Cc1cn(C)nc1C 1753051477 DZHFAXWSLGOARL-CYBMUJFWSA-N 319.409 -0.543 30 20 DBED C=CCN1CC[C@H](N(C)CCNC(=O)Cc2nc[nH]n2)C1=O 1753070029 STSQQHWCMYSYDH-NSHDSACASA-N 306.370 -0.818 30 20 DBED CCn1cnc(C(=O)NCCN(CC(=O)NCC#N)C2CC2)c1 1753162351 GSHRDRJSVDOWLT-UHFFFAOYSA-N 318.381 -0.263 30 20 DBED C#CCNC(=O)CNC[C@H](C)CNC(=O)c1cccc(OC)n1 1753636313 UBBSQCHNFOOILQ-LBPRGKRZSA-N 318.377 -0.205 30 20 DBED Cn1cnn(CCC(=O)NCC2(NCC#N)CCCC2)c1=O 1753666389 GMRFLGPPUOZFGQ-UHFFFAOYSA-N 306.370 -0.486 30 20 DBED C#CCNC[C@@H](O)CNC(=O)c1cc([C@H]2CCCN2C)[nH]n1 1753920001 MHVGIKQZHFVZEZ-BXUZGUMPSA-N 305.382 -0.510 30 20 DBED C#CCCCC(=O)NC/C=C/CNCC(=O)N1CCNC(=O)C1 1754115954 LFYNDGJKFPJOOW-AATRIKPKSA-N 320.393 -0.990 30 20 DBED N#CCNC(=O)CN1C[C@H]2C[C@H]1[C@@H]2NC(=O)Cc1cscn1 1754429887 ZATZAONCWJUERQ-OLUVUFQESA-N 319.390 -0.486 30 20 DBED C=C(C)CCN1CC[C@](O)(CNC(=O)CS(=O)(=O)NC)C1 1754762574 SIPFMFFHDOCWNG-ZDUSSCGKSA-N 319.427 -0.945 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(CC(=O)N[C@@H](C)C2CC2)C1 1754766887 ACPMUOYCGONIAN-ZDUSSCGKSA-N 321.421 -0.277 30 20 DBED COCC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1nnn(C)n1 1754869167 UGSXHQUYNINGAB-CHWSQXEVSA-N 318.381 -0.461 30 20 DBED C#CCNCC[C@H]1CCN(C(=O)CS(=O)(=O)CCOC)C1 1754920517 CXTDUYORSNJEIU-ZDUSSCGKSA-N 316.423 -0.491 30 20 DBED C#CCCCC(=O)N1CCOC2(CN(CCOCCO)C2)C1 1755049242 GSWZUICFPDQMSU-UHFFFAOYSA-N 310.394 -0.288 30 20 DBED COCC#CCN1CCC(CO)(NC(=O)c2cncnc2)CC1 1755177394 OLPUEAAWWAFYLZ-UHFFFAOYSA-N 318.377 -0.317 30 20 DBED C#CCNCC1CC(NC(=O)[C@H]2CCc3nnnn3CC2)C1 1755218204 IPXOCPRZGDXPSN-CPCZMJQVSA-N 302.382 -0.257 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@@H](C)CNC(=O)c1cccc(O)n1 1755297036 ICUIDDNBYGIKAS-NWDGAFQWSA-N 318.377 -0.025 30 20 DBED C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)N(C)CC(=O)NCC#N 1755302498 CNPBJXQSYIXOPN-QJPTWQEYSA-N 318.381 -0.411 30 20 DBED COCC#CCN(C)[C@H](C)CNC(=O)[C@H](C)NS(C)(=O)=O 1755319727 SNMUCXYKNLEHCP-NEPJUHHUSA-N 319.427 -0.990 30 20 DBED C#CCCNC[C@@H]1CC[C@H](NC(=O)CN(C)S(C)(=O)=O)C1 1755736148 RSMBANQUICXYAI-OLZOCXBDSA-N 315.439 -0.224 30 20 DBED C=C(C)CCN(C)C[C@H](O)CN(C)C(=O)CS(C)(=O)=O 1755798570 WWBMKMCFAYCPQA-LBPRGKRZSA-N 306.428 -0.252 30 20 DBED O=C(C#CC1CC1)NC1CC(CNC(=O)Cn2cnnc2O)C1 1755936100 LFNSBZHCVGWHLK-UHFFFAOYSA-N 317.349 -0.592 30 20 DBED C=CCCOCC(=O)NC[C@H]1C[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 1756260622 BOMRUEGTYNPAHU-IJLUTSLNSA-N 324.381 -0.729 30 20 DBED CNC(=O)NCC(=O)NCCC1(CNC(=O)C#CC(C)C)CC1 1756896037 HDXMDMVTCIZEDQ-UHFFFAOYSA-N 322.409 -0.023 30 20 DBED C[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)S)[C@H]2C1 1791266036 XLMBJXWYXCSCFP-HTFCKZLJSA-N 316.423 -0.335 30 20 DBED N#CCCC(=O)N1CCCC12CN(C(=O)[C@@H]1CNC(=O)O1)C2 1842812086 NMACXFFWFATAOV-JTQLQIEISA-N 306.322 -0.398 30 20 DBED C#CC(=O)N1CCCC12CN(C(=O)[C@@H](C)NC(=O)NCC)C2 1845959438 QAKYCXXVOTXJJR-LLVKDONJSA-N 306.366 -0.469 30 20 DBED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)Cc1cc[nH]n1)C2 1846196737 IZTKWEKRHVRMCM-UHFFFAOYSA-N 316.317 -0.756 30 20 DBED N#Cc1ccc(S(=O)(=O)N2CCN3C(=O)CC[C@@H]3C2)cn1 127561629 QBVVILKFAXDCMC-LLVKDONJSA-N 306.347 -0.051 30 20 DBED C[C@@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)C(=O)N(C)C 263823721 YWNUVEUBUPASSC-SNVBAGLBSA-N 302.334 -0.119 30 20 DBED C=CCNC(=O)CNC(=O)NCCCN(C)S(=O)(=O)CC 272059390 OWJMEKLOCKCQGY-UHFFFAOYSA-N 320.415 -0.741 30 20 DBED C[C@H](C(=O)NCCCC#N)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 273043397 POOMTXWVEGAPTK-LZQZFOIKSA-N 305.334 -0.043 30 20 DBED CN(C)[C@@H]1CCCN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC1 277176167 NDJBUAGQNTYRBC-LLVKDONJSA-N 305.382 -0.124 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)NCc1ccc(C(N)=O)o1 281861585 ZRMZFPFZKKAPGI-MRVPVSSYSA-N 300.340 -0.196 30 20 DBED C[C@@H]1C(=O)N(C)S(=O)(=O)N1CC(=O)N[C@@](C)(C#N)C1CC1 283201309 YJBJYZYKFVCLFZ-PELKAZGASA-N 314.367 -0.798 30 20 DBED COC(=O)[C@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1F)OC 294979447 NLFCCEOVGXCCRC-NSHDSACASA-N 323.280 -0.060 30 20 DBED COC(=O)[C@@H]1C[C@H](O)CN1CC(=O)N(CCC#N)CCC#N 317426735 ZMDPCBVGMCJJNG-RYUDHWBXSA-N 308.338 -0.749 30 20 DBED C[C@H](CO[C@@H]1CCOC1)N/C(O)=N/C[C@H]1CN(C)CCN1C 328600009 CPYUTJVMPKZDQR-HZSPNIEDSA-N 314.430 -0.070 30 20 DBED CCC(=O)N1CC[C@@H](/N=C(/O)N2CC(=O)N(CCOC)C2)C1 328661267 ACYIGRKUIFJQMA-LLVKDONJSA-N 312.370 -0.341 30 20 DBED CNC(=O)[C@H]1CCCCN1S(=O)(=O)N1CCO[C@H](C#N)C1 336936803 GJTBOXBRBKVPCQ-GHMZBOCLSA-N 316.383 -0.944 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@@H]1CCCS1(=O)=O 336938308 HMSJXCISIGUHKA-QWRGUYRKSA-N 323.440 -0.120 30 20 DBED CC(C)OC[C@@H](CO)N(C)S(=O)(=O)N1CCO[C@@H](C#N)C1 337164582 XVWCOEVSPQFAFU-NEPJUHHUSA-N 321.399 -0.827 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)NCc1cc(C(N)=O)no1 337750555 FSLKFQVUAHSOHW-ZETCQYMHSA-N 301.328 -0.658 30 20 DBED C=CCNS(=O)(=O)c1ccc(C(=O)NCC#CCO)cc1 339192930 ZAVHWHOQMKNXLQ-UHFFFAOYSA-N 308.359 -0.124 30 20 DBED C[C@@]1(C(N)=O)CCN(C(=O)C(=O)NCc2cccc(C#N)c2)C1 340146207 DDOAGFZKYBPCIA-MRXNPFEDSA-N 314.345 -0.102 30 20 DBED Cn1cc(-c2nc(C(=O)NCC(=O)NCC#N)cs2)cn1 343525172 NWLANSIPHOKYIX-UHFFFAOYSA-N 304.335 -0.087 30 20 DBED N#Cc1ccnc(NC[C@@H]2CS(=O)(=O)CCO2)c1[N+](=O)[O-] 351510130 OQQXRHVIBASAGF-SECBINFHSA-N 312.307 0.087 30 20 DBED CCOC(=O)[C@@H](CO)NC(=O)CNC(=O)c1ccc(C#N)cc1 353782602 VAPJRPBJBLUNGR-GFCCVEGCSA-N 319.317 -0.672 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)CCc2cnccn2)CC1 353822216 FMTSDEDBCBACCL-UHFFFAOYSA-N 317.393 -0.144 30 20 DBED C=CCNC(=O)CNS(=O)(=O)[C@H]1CCCC[C@@H]1C(=O)OC 356617290 HPNJQDYVPWMMEN-QWRGUYRKSA-N 318.395 -0.060 30 20 DBED CCN(CC)C(=O)N1CCN(C(=O)NCC(=O)NCC#N)CC1 358277147 PLTPKKWSSJHDPV-UHFFFAOYSA-N 324.385 -0.585 30 20 DBED CNS(=O)(=O)CC(=O)N1CCC[C@@]2(CCCCO2)[C@H]1C#N 373377354 NGTCDEBDOTWTEM-YPMHNXCESA-N 315.395 -0.011 30 20 DBED C=CCN1CC[C@H](N2CCC[C@@H](C(=O)N3CCNCC3)C2)C1=O 420282585 BRMNYCTUUXHJCC-CABCVRRESA-N 320.437 -0.083 30 20 DBED C=CCn1cccc1C(=O)NCC(=O)NCCN1CCOCC1 490034184 RPLKHNZLQQZSJV-UHFFFAOYSA-N 320.393 -0.148 30 20 DBED C#CCN1CCC[C@H]1COC(=O)Cn1ccc(=O)n(C)c1=O 490875127 OOINXNFVVWRVHR-LBPRGKRZSA-N 305.334 -0.812 30 20 DBED C#CCNC(=O)CCN1CCN([C@@H](C)C(=O)NC2CC2)CC1 491202644 OXUUDDGZKVSSJS-ZDUSSCGKSA-N 306.410 -0.589 30 20 DBED C#C[C@@H](CCC)NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1 491710807 SZMISYJSOWVRTO-NSHDSACASA-N 323.440 -0.800 30 20 DBED COC(=O)CCCN(C)S(=O)(=O)N1CCO[C@H](C#N)C1 515502292 XMPCRQQQGXZFHT-SNVBAGLBSA-N 305.356 -0.659 30 20 DBED N#Cc1ccccc1OC[C@H](O)CN1CCOC[C@@H]1CC(N)=O 528516994 LNEORFRNUKGHEV-UONOGXRCSA-N 319.361 -0.126 30 20 DBED CCO[C@@H]1COCC[C@@H]1NC(=O)NCCn1cnc(C#N)n1 553747456 MCMOAPMZOGWQEO-WDEREUQCSA-N 308.342 -0.357 30 20 DBED COC(=O)c1cncc(S(=O)(=O)N2CCOC[C@H]2C#N)c1 559452657 UQTZJMJHNWZEDH-SNVBAGLBSA-N 311.319 -0.219 30 20 DBED N#Cc1cc(NCCCCN2CCN(CCO)CC2)ncn1 569091798 BGFPRVBLPOUUCF-UHFFFAOYSA-N 304.398 0.150 30 20 DBED Cn1cc(C#N)c(NC(=O)NC[C@H]2CCCS(=O)(=O)C2)n1 588259969 YDAAXAADYVQNFT-SECBINFHSA-N 311.367 0.238 30 20 DBED C=CCN(C)C(=O)C(=O)NCCCN1CCCS1(=O)=O 632382927 NIMQPNULOGURCC-UHFFFAOYSA-N 303.384 -0.827 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCO[C@H](CNC(C)=O)C1 668871493 JBDBHUQFCCEHLC-ZIAGYGMSSA-N 311.382 -0.179 30 20 DBED Cc1ccc(NN=Cc2nc3c(c(O)nc(=O)n3C)n2C)nn1 729937723 AWNYXTRMLKKGJR-UHFFFAOYSA-N 314.309 -0.083 30 20 DBED Cc1ccc(S(=O)(=O)N(CC#N)CC(=O)O)cc1C(N)=O 738652092 CUDOACJNZSFADR-UHFFFAOYSA-N 311.319 -0.307 30 20 DBED N#C[C@H]1CN(S(=O)(=O)N2CCC[C@]23CCOC3=O)CCO1 800116100 ADGTVBBMZMHQLA-CMPLNLGQSA-N 315.351 -0.763 30 20 DBED C#C[C@H](NC(=O)C(=O)NCCOC[C@@H]1CCCO1)[C@H]1CCCO1 803560135 VYGNMIQIAWBAMA-MELADBBJSA-N 324.377 -0.405 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCC[S@@](C)=O 804996375 BDOYNDDLPLMWMQ-QZXWKGOOSA-N 302.396 -0.422 30 20 DBED C#CCCS(=O)(=O)N1CCN([C@H](C)C(=O)NC2CC2)CC1 808279642 PQCCTSFPSYDPKB-GFCCVEGCSA-N 313.423 -0.376 30 20 DBED COc1cc(C#N)ccc1S(=O)(=O)NCC(=O)N(C)OC 817148488 XCRBPDNUAHFKLY-UHFFFAOYSA-N 313.335 -0.135 30 20 DBED C#C[C@H](NC(=O)C(=O)N1C[C@H](CO)OC(C)(C)C1)[C@H]1CCCO1 817839332 YCZXDJHSVNIQIK-FRRDWIJNSA-N 324.377 -0.718 30 20 DBED C[C@](C#N)(CC(=O)O)C(=O)NCCN1CCCS1(=O)=O 819833888 JYHXXKNBUHCVMR-LLVKDONJSA-N 303.340 -0.857 30 20 DBED C=CCCn1cc(C(=O)NS(=O)(=O)C[C@H]2CCOC2)nn1 820406026 NFIWAKCDFLNSIE-JTQLQIEISA-N 314.367 -0.050 30 20 DBED N#Cc1ccc(S(=O)(=O)Nc2n[nH]cc2-c2nn[nH]n2)cn1 826386157 RJCNVCQIOOLXER-UHFFFAOYSA-N 317.294 -0.343 30 20 DBED N#C[C@@H]1CNC[C@@H]1NC(=O)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O 843458870 ARJAIBVNHOXRJY-XGEHTFHBSA-N 304.272 -0.329 30 20 DBED C#CCC[C@@H](O)CNC(=O)[C@H](CO)NC(=O)c1ccc(F)cc1 846065071 PJHHKENISDCBSV-KGLIPLIRSA-N 322.336 -0.193 30 20 DBED CN(CCN)C(=O)C(=O)N1CCN(c2ccc(C#N)cc2)CC1 868390511 KYRHFCVUNTXGIS-UHFFFAOYSA-N 315.377 -0.376 30 20 DBED C=C(C)Cn1c(-c2cn(C)nn2)nnc1N1CCCNC(=O)C1 873699261 HMEBNLRZAGAQAE-UHFFFAOYSA-N 316.369 -0.024 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2cnnn2C)C1 942447954 RGRNATGRDHHREL-WZRBSPASSA-N 319.365 -0.263 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)CN2CCNC(=O)C2)[C@H](C)C1 942560847 XYHWAIASWUMFIE-KGLIPLIRSA-N 308.426 -0.179 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCCCN(C(=O)C(N)=O)C1 943283636 KQARUJAJZDUTSA-XQQFMLRXSA-N 323.393 -0.050 30 20 DBED CC#CCN1CCN(C(=O)[C@@H]2CC(=O)N(CCOC)C2)CC1 948624767 RDQJHZLJPROSIM-CQSZACIVSA-N 307.394 -0.351 30 20 DBED C[C@]1(C(=O)N2CCC3(CC2)CN(CC#N)CCO3)CNC(=O)C1 949423822 QCDMOJBCYHVQCZ-OAHLLOKOSA-N 320.393 -0.270 30 20 DBED C=CCn1cc(C(=O)N(CC)C2CN([C@H](C)C(=O)NC)C2)nn1 952425509 QYWJIAOXPFNXPX-LLVKDONJSA-N 320.397 -0.255 30 20 DBED C=C[C@@](C)(CC)C(=O)N1CC(N(C)C(=O)Cn2cnnn2)C1 953686184 ODOBIMCPWKVHNK-AWEZNQCLSA-N 306.370 -0.055 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(N(C)C(=O)C(N)=O)CC1 954255395 QKFHXHVSGPRMGP-NEPJUHHUSA-N 309.366 -0.488 30 20 DBED C=C(C)CN1C[C@H](CNC(=O)c2cccn3nnnc23)[C@@H](O)C1 958090970 DHFCYYVBFQJDJW-AAEUAGOBSA-N 316.365 -0.277 30 20 DBED CC#CCN1C[C@@H](O)[C@H](CNC(=O)c2ccc3nncn3c2)C1 958480450 AXRAGGNSNBDVRC-ZIAGYGMSSA-N 313.361 -0.225 30 20 DBED N#CCN1C[C@H](O)[C@H](CNC(=O)c2cc3ncccn3n2)C1 958507801 WZNDNJJDWMTXCW-PWSUYJOCSA-N 300.322 -0.725 30 20 DBED Cn1ncc(C(=O)NC[C@@H]2CN(CC#N)C[C@H]2O)c1C1CC1 958750040 ZPXHYKBREHFJBS-DGCLKSJQSA-N 303.366 -0.156 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cn(C)nn2)C1 958839153 XJSZZXOKYLWCLG-RYUDHWBXSA-N 321.381 -0.329 30 20 DBED Cc1nc2n(n1)C[C@H](C(=O)N[C@H]1[C@@H]3CN(CC#N)C[C@@H]31)CC2 961316995 CDHDUNIVZJDYOG-NMKXLXIOSA-N 300.366 -0.281 30 20 DBED N#CCOc1ccc(CN2C[C@H]3[C@H](NC(=O)C(N)=O)[C@H]3C2)cc1 961637389 KDUUGCHXAFRVNK-WDNDVIMCSA-N 314.345 -0.379 30 20 DBED CO[C@H](C)C(=O)N1CCOC[C@H]1CNC(=O)c1cc(C#N)c[nH]1 964147736 XVMMHBLKHNDYPT-ZYHUDNBSSA-N 320.349 -0.122 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(C[C@H](NC(=O)c3ccnnc3)CO2)C1 965830081 SAFNJONFMMZLNS-JQWIXIFHSA-N 315.333 -0.264 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@]3(CN(CC(N)=O)CCO3)C2)[nH]1 972348526 OLTNMSGANABLSS-HNNXBMFYSA-N 317.349 -0.711 30 20 DBED Cn1ccc(=O)c(C(=O)N2CC[C@@]3(CN(CC#N)CCO3)C2)c1 972459538 WYFFDDSZQTXRMI-MRXNPFEDSA-N 316.361 -0.174 30 20 DBED C=CCN1CCO[C@]2(CCN(C(=O)[C@@H]3CCN(C)C3=O)C2)C1 972506921 ROFJPGFAASGEIH-CZUORRHYSA-N 307.394 -0.046 30 20 DBED N#CCN1CCO[C@]2(CCN(C(=O)CCc3cnn[nH]3)C2)C1 972561998 YNKHXRCEMALYMI-CQSZACIVSA-N 304.354 -0.436 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2cnnn2C)C1 973223122 PFFJIUBCUHRPDK-UZWSLXQKSA-N 319.365 -0.217 30 20 DBED C#CCN1C[C@H]2C(CNC(=O)c3cnn(CCN(C)C)c3)[C@@H]2C1 978854559 VHJZOPRCCASVGY-HOTGVXAUSA-N 315.421 -0.015 30 20 DBED C#CCN[C@@H]1CCN(C(=O)CN2C(=O)NC(C)(C)C2=O)[C@@H]1C 987460857 TYFCKSWQUVJICC-GHMZBOCLSA-N 306.366 -0.471 30 20 DBED C=C1CC(C)(C(=O)N2CC(NC(=O)[C@@H]3CC(=O)NC(=O)N3)C2)C1 991558839 SVCVDNRUHCBEDI-JTQLQIEISA-N 320.349 -0.732 30 20 DBED O=C(Cn1ncnn1)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C#CC1CC1 996695874 RDLRCWLXBOHELR-AGIUHOORSA-N 314.349 -0.665 30 20 DBED C=CCN1CC[C@H](N[C@H]2CCCN(C(=O)c3cnn[nH]3)C2)C1=O 999587460 MNQDIWKBKDBGCL-RYUDHWBXSA-N 318.381 -0.214 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C(N)=O 999883080 JWPQDQGMMVJHPQ-GCHJQGSQSA-N 307.350 -0.689 30 20 DBED CC#CCN1CC=C(CNC(=O)c2cnc(O)n(C)c2=O)CC1 1001037095 PQYWTBYAPSQEDE-UHFFFAOYSA-N 316.361 -0.129 30 20 DBED COCC(=O)N1C[C@@H]2C[C@@H]3CN(C(=O)C#CC4CC4)C[C@]2(C1)O3 1001576571 KUYKLNKVEBJMJV-VBQJREDUSA-N 318.373 -0.126 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C(=O)c2ccc(C(N)=O)cn2)CC1 1011328711 ZJARFRSUFQGNFA-SNVBAGLBSA-N 315.333 -0.375 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)CC1 1011976783 ANYVPWKYCXYDBR-ZOBORPQBSA-N 321.377 -0.132 30 20 DBED C#CCN1CC[C@H](NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 1015358440 VEAMYKGNXCGJCV-XHSDSOJGSA-N 321.421 -0.310 30 20 DBED CC#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1ccc(O)nc1=O 1017712758 AWRYPDDXONCRCI-BETUJISGSA-N 316.361 -0.353 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H](N[C@H]2CCCNC2=O)C1 1020250781 QKKCIBRHSYLWRI-AJNGGQMLSA-N 318.421 -0.401 30 20 DBED N#Cc1cc(C(=O)NC[C@@H]2CCN(Cc3nc(O)n[nH]3)C2)c[nH]1 1028489294 ZCYHXGCRJWWYED-VIFPVBQESA-N 315.337 -0.038 30 20 DBED O=C1CC[C@H](N2C[C@@H]3C[C@H]2CN3C(=O)C#CC2CC2)C(=O)N1 1032397300 SKNTVQOYRWWQHV-AVGNSLFASA-N 301.346 -0.510 30 20 DBED CN(C(=O)Cn1[nH]cc2c(=O)ncnc1-2)[C@H]1CCN(CC#N)C1 1033509742 KPDHACWEWXWYKW-JTQLQIEISA-N 315.337 -0.873 30 20 DBED C#CCN1CCC2(CCN(C(=O)C[C@H]3CC(=O)NC3=O)CC2)C1 1035260001 AGWVUFOTINGNJU-CYBMUJFWSA-N 317.389 -0.013 30 20 DBED Cn1cnc2ccc(C(=O)NC[C@@H]3CN(CC#N)CCO3)nc21 1035506647 VRVWRGHVKFNENV-LLVKDONJSA-N 314.349 -0.078 30 20 DBED C#CCCN1CCO[C@@H](CNC(=O)[C@@H]2CCc3nn[nH]c3C2)C1 1035575221 YBRNOLLIOGTPQC-OLZOCXBDSA-N 317.393 -0.250 30 20 DBED CC1(C)C(=O)NC(=O)N1CC(=O)N[C@H]1[C@H]2C[C@H]1N(CC#N)C2 1037653795 PNWZUMVJHHZADQ-NGZCFLSTSA-N 305.338 -0.971 30 20 DBED N#CCN1CCC[C@@]2(CCN(C(=O)CN3C(=O)CCC3=O)C2)C1 1040523626 ZKUQTUMDJOOITK-MRXNPFEDSA-N 318.377 -0.027 30 20 DBED C[C@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)c2cnccn2)C1 1040764107 UUBYXPPPCNYOGK-QMTHXVAHSA-N 303.322 -0.671 30 20 DBED Cc1nsc(N2C[C@@H]3CCN(C(=O)C(N)=O)[C@@H]3C2)c1C#N 1040795338 UBGZFHGVQXJEOP-WCBMZHEXSA-N 305.363 -0.154 30 20 DBED C=C(C)[C@@H](CC(=O)N1CC(O)(CNC(=O)COC)C1)OCC 1041157760 CETNMKJRFJIJMG-GFCCVEGCSA-N 314.382 -0.306 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCCN2C)C1 1042099036 ZERCXHMMEQRMET-ZDUSSCGKSA-N 307.394 -0.426 30 20 DBED Cn1nccc1C(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042958140 FTNQHMCGNHVKQI-UHFFFAOYSA-N 302.334 -0.863 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)C1CN(CC(=O)N(C)C)C1 1042960365 NUGMBBUSPNQLSF-AWEZNQCLSA-N 306.410 -0.685 30 20 DBED C[C@@H]1COCC[C@H]1C(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042961431 YCXFBJGPVBKQJR-TZMCWYRMSA-N 320.389 -0.238 30 20 DBED C=CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2cc(C)no2)C1 1043569399 WLALWZTYJKDCJA-NSHDSACASA-N 323.349 -0.123 30 20 DBED C=C(C)CN1CC(N(C)C(=O)c2cn(C)c(=O)n(C)c2=O)C1 1043996529 RDFYLLRPVJLQKA-UHFFFAOYSA-N 306.366 -0.584 30 20 DBED CCc1cc(C(=O)NCC2(O)CN(C(=O)C#CC3CC3)C2)no1 1044240302 UDHILRYKZGLOBX-UHFFFAOYSA-N 317.345 -0.047 30 20 DBED C=C(C)C[C@H](C)C(=O)N1CC(O)(CNC(=O)[C@H]2CCNC2=O)C1 1044455625 HAKKMUPYQGOHGG-RYUDHWBXSA-N 323.393 -0.586 30 20 DBED C[C@H]1C[C@@H](NCC#N)CCN1C(=O)c1cn(C)c(=O)n(C)c1=O 1044765773 XRPZMMVGZCTNIC-QWRGUYRKSA-N 319.365 -0.810 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)C23CCCN2CCC3)C1 1045546230 JQNNQDFXFOKFAR-LBPRGKRZSA-N 320.393 -0.536 30 20 DBED Cc1ccc(C(=O)N2CC(O)(CNC(=O)[C@@H](C)C#N)C2)c(O)n1 1045554587 GKRZPZFDAQWMQT-VIFPVBQESA-N 318.333 -0.442 30 20 DBED C[C@H](O)CN1CC[C@H](N2CCN(C(=O)C#CC3CC3)CC2)C1 1046028019 VZNCSRWVAIFZSF-HOCLYGCPSA-N 305.422 -0.001 30 20 DBED C=CCCN1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CCN(C)C2=O)C1 1047420411 IQDUEFISYXMFLJ-RDBSUJKOSA-N 309.410 -0.066 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CNC(=O)C2CC2)C1 1048366601 NVCPKKYPSMFVJZ-STQMWFEESA-N 323.393 -0.491 30 20 DBED C=CCCC(=O)N(C)[C@H]1CN(C(=O)CCCC(N)=O)C[C@@H]1O 1048540421 WENRTUMUMDPDDU-RYUDHWBXSA-N 311.382 -0.362 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)COC(C)(C)C)C1 1048711843 FABOUVWLRDSJOS-SRVKXCTJSA-N 311.382 -0.009 30 20 DBED C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H]1NC(=O)NC1=O 1049527320 OWMDPDIDGVCORC-SDDRHHMPSA-N 306.366 -0.164 30 20 DBED C=C(Cl)CN1CCOC[C@H]1CNC(=O)[C@H]1COCCO1 1050822442 UVFPEBAICKTEDC-VXGBXAGGSA-N 304.774 -0.029 30 20 DBED Cn1nnc2cc(C(=O)NC[C@@H]3COCCN3CC#N)ccc21 1050985769 HSWCYHYFDBOQJG-GFCCVEGCSA-N 314.349 -0.078 30 20 DBED COCC(=O)N[C@]1(CO)CCCN(C(=O)CSCC#N)C1 1055705377 LCEWIOWCFPYKKD-CYBMUJFWSA-N 315.395 -0.641 30 20 DBED Cn1nnc2c(N3CCN(C(=O)C#CC4CC4)CC3)ncnc21 1055795254 LUMRSHGCBBUAAB-UHFFFAOYSA-N 311.349 -0.180 30 20 DBED Cn1cnc(C(=O)NC2[C@@H]3CN(c4ccc(C#N)nn4)C[C@@H]23)n1 1056204138 XBNSHDFDDAXLES-NXEZZACHSA-N 310.321 -0.659 30 20 DBED Cn1cncc1C(=O)NC1[C@H]2CN(c3ccc(C#N)nn3)C[C@H]12 1056336827 WERIQEMUKQGHKF-QWRGUYRKSA-N 309.333 -0.054 30 20 DBED C=CCCO[C@H](C)C(=O)NCCN(CCO)C(=O)COCC 1056864589 CQSRLLKKIPFAQA-CYBMUJFWSA-N 316.398 -0.059 30 20 DBED C=C(C)CCC(=O)NCCN(CCO)C(=O)[C@@H](C)NC(C)=O 1056887339 KVOQTKBPEBZRJY-GFCCVEGCSA-N 313.398 -0.196 30 20 DBED COCCCC(=O)NCCN(CCO)C(=O)c1c[nH]c(C#N)c1 1057391991 VUTJINGFBTXPFX-UHFFFAOYSA-N 322.365 -0.136 30 20 DBED N#Cc1nccnc1NC1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 1057408859 HIMXOYOMYBPXBW-NSHDSACASA-N 315.337 -0.567 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)[C@@H]1C[C@@H]1C(=O)OC 1057439210 BPAAMVDJWSGJQG-OLZOCXBDSA-N 324.377 -0.464 30 20 DBED C#Cc1ccc(C(=O)N(CCO)CCNC(=O)COC)nc1 1058238966 YWDXLMQUUDCIMY-UHFFFAOYSA-N 305.334 -0.740 30 20 DBED Cn1nc(C(=O)N2CC[C@H](N=c3cc[nH]cc3C#N)C2)ccc1=O 1058897326 YUZFOBJENBZCRY-LBPRGKRZSA-N 324.344 -0.205 30 20 DBED C=CCCC(=O)NC[C@@H]1COCCN1C(=O)C(=O)NCC1CC1 1061411491 HCSGXGKOJBJBQC-CYBMUJFWSA-N 323.393 -0.178 30 20 DBED C=C(C)C[C@H](C)C(=O)N1CCOC[C@H]1CNC(=O)CC(N)=O 1061443143 LKVJSKQNMNSNQT-NWDGAFQWSA-N 311.382 -0.192 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)c1csnn1 1061853438 STMABRGUMQWSDS-IUCAKERBSA-N 309.351 -0.345 30 20 DBED N#Cc1cnc(N2[C@H]3CC[C@H]2CN(C(=O)Cc2nc[nH]n2)C3)cn1 1061989587 QORRTLYRQBFVKT-RYUDHWBXSA-N 324.348 -0.111 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](CN(C)c2ccc3nnnn3n2)C1 1062095521 AGLBMLLCFOKEIP-MNOVXSKESA-N 314.353 -0.036 30 20 DBED N#Cc1ccc(N2CCO[C@@H](CNC(=O)c3cn[nH]c3)C2)nn1 1063609611 OKXIUKOSVYGXOS-LBPRGKRZSA-N 313.321 -0.293 30 20 DBED N#Cc1ccc(N2CC[C@H]3CC[C@@H](C2)N3C(=O)CC(N)=O)nn1 1064466549 TXXISPKVYPBCNP-NEPJUHHUSA-N 314.349 -0.207 30 20 DBED C=CC(C)(C)C(=O)NC[C@@H]1CN(C(=O)CC(=O)NC)CCO1 1065079752 NJSUSHMDWDVBNM-LLVKDONJSA-N 311.382 -0.322 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(C(=O)c2cccnn2)CCO1 1065514682 OGCAESCZNNYSFD-CYBMUJFWSA-N 314.345 -0.153 30 20 DBED C=CCCCC(=O)N1CC2(CN(C(=O)CC(=O)NC)CCO2)C1 1068386565 VIAGMLBPVUBXMZ-UHFFFAOYSA-N 323.393 -0.081 30 20 DBED C=CCCC(=O)N1CC2(C[C@H](NC(=O)Cn3cnnn3)CO2)C1 1068686036 CUQITSOERCVNED-NSHDSACASA-N 320.353 -0.875 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1COC2(C1)CN(C(=O)c1n[nH]cc1F)C2 1069009396 ZDOJBJAJKSWALM-BDAKNGLRSA-N 321.312 -0.192 30 20 DBED C=CCOCC(=O)N1CCC(CC)(NC(=O)CC(N)=O)CC1 1069249074 CMTZNIZVWVIFAL-UHFFFAOYSA-N 311.382 -0.048 30 20 DBED C#CCN[C@@H]1CN(C(=O)CCc2cn[nH]c2)C[C@@H]1n1ccnn1 1070292558 TVXQJKUUZIBYFB-KGLIPLIRSA-N 313.365 -0.391 30 20 DBED Cc1nonc1C(=O)N1C[C@@H](NCC#N)[C@H](c2cncn2C)C1 1070724967 LMIDWRYNQPYAAD-GHMZBOCLSA-N 315.337 -0.167 30 20 DBED Cc1nccn1CC(=O)N1CCC(=O)NCCN(CC#N)CC1 1071020476 FUCKSOHXNPRYBV-UHFFFAOYSA-N 318.381 -0.634 30 20 DBED C[C@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1NC(=O)Cn1ncnn1 1072063869 RCGZHTONUQZMSA-NWDGAFQWSA-N 318.381 -0.314 30 20 DBED C[C@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1NC(=O)CSCC#N 1072522275 RNILDZDEVJWCRU-IUCAKERBSA-N 308.367 -0.362 30 20 DBED C#CCOCCC(=O)N[C@H]1CN(C(=O)Cn2cncn2)C[C@@H]1C 1072772912 MASRCQLBFMDRGE-STQMWFEESA-N 319.365 -0.719 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@H]3OCCN(CC(N)=O)[C@@H]3C2)c1 1074205659 VQPONZVUKVUXQI-CHWSQXEVSA-N 317.349 -0.713 30 20 DBED C#CCNC(=O)CC(=O)NCC1(O)CCN(C(=O)CCC)CC1 1074424085 YTCHIMZJWSVGMI-UHFFFAOYSA-N 323.393 -0.604 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)CC2CS(=O)(=O)C2)C1 1077263162 LAEKUIIINXRYTB-GHMZBOCLSA-N 322.814 -0.665 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC(=O)N(CCC)C2)C1 1077757146 XDNYUIRESRJFTL-MGPQQGTHSA-N 309.410 -0.018 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CN(C[C@H](C)OC)C[C@H]2O)nn1 1077801571 XFIRDBWRZWPFKX-DMDPSCGWSA-N 309.370 -0.726 30 20 DBED C[C@@H](CCNC(=O)CCCS(N)(=O)=O)NC(=O)[C@H](C)C#N 1078102970 LLJDXLCZGYEAFF-ZJUUUORDSA-N 318.399 -0.774 30 20 DBED C[C@@H](C#N)C(=O)N1CCCO[C@@H](CNCc2nnnn2C)C1 1078360585 XXOUAFORHBVUBX-QWRGUYRKSA-N 307.358 -0.923 30 20 DBED N#CCN[C@@H]1C[C@@H](NC(=O)c2nnc(O)nc2O)C12CCC2 1078670161 FVKSZZIUDLNUMK-HTQZYQBOSA-N 304.310 -0.563 30 20 DBED C=CCCOCC(=O)N(CC)C1CN(C(=O)[C@H]2CCC(=O)N2)C1 1079976753 VMKVVYTVOKXSED-CYBMUJFWSA-N 323.393 -0.083 30 20 DBED CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)[C@H]2COCCN2C)C1 1080411711 RNOBSHVPIUFRGM-DGCLKSJQSA-N 308.382 -0.464 30 20 DBED CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)[C@H](C)NC(=O)COC)C1 1080420583 XFXVXZHVDUPKEL-QWRGUYRKSA-N 324.381 -0.644 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2ccn(C)n2)C[C@@H]1O 1081347229 SMHVDZLXVAESCV-YPMHNXCESA-N 322.365 -0.828 30 20 DBED C#CCC1(C(=O)NC[C@H]2CN(C(=O)COC)C[C@@H]2O)CCC1 1081536630 PVYWSAPJMCOVRX-STQMWFEESA-N 308.378 -0.238 30 20 DBED C=CCN1C[C@@H](NC(=O)[C@H]2CCCCN2C(N)=O)[C@H](OC)C1 1082319869 MVBCDRANMLXXOM-JHJVBQTASA-N 310.398 -0.079 30 20 DBED C#CCN[C@@H]1CN(C(=O)C[C@@]2(C)CCS(=O)(=O)N2)C[C@H]1C 1082884541 YZJAJMGULMJVKD-YRGRVCCFSA-N 313.423 -0.472 30 20 DBED CCC(CC)N1C[C@H](C(=O)N[C@@H]2CN(CC#N)C[C@@H]2O)CC1=O 1083503789 CGURMCIEFGWQCP-BNOWGMLFSA-N 322.409 -0.292 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)c2cn3c(n2)C[C@@H](OC)CC3)C1 1083563743 CNQNXGYDCMILGV-SCRDCRAPSA-N 320.393 -0.195 30 20 DBED N#CCN[C@H]1CCCCCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 1088391408 KGQXOSKNAJDAHU-QWRGUYRKSA-N 307.354 -0.531 30 20 DBED C#CCN1CC[C@H](NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)[C@H]1C 1088565645 WVGJIJJHRNNMGB-DYEKYZERSA-N 315.377 -0.025 30 20 DBED CCN(c1ccnc(C#N)n1)[C@H](C)CNC(=O)[C@@H]1CCC(=O)N1 1089675180 MNPGBYHFOOTETE-MNOVXSKESA-N 316.365 -0.042 30 20 DBED N#CCN1CC[C@H](NC(=O)c2cn(C3CCC3)nn2)[C@@H](O)C1 1090274855 WYGZAVBQOUEMMC-AAEUAGOBSA-N 304.354 -0.308 30 20 DBED CN(C)Cc1cc(C(=O)N[C@@H]2CCN(CC#N)C[C@@H]2O)no1 1090378998 UUWIWJGIKPDGKQ-YPMHNXCESA-N 307.354 -0.575 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)Cc2cn(CC)nn2)[C@H](O)C1 1090441161 IWQYVJBFHMJVDY-ZIAGYGMSSA-N 307.398 -0.032 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(c2nccc(OC)n2)C[C@H]1O 1090488233 FLYXJKIBHCZWFP-IJLUTSLNSA-N 320.349 -0.811 30 20 DBED C=CCCN1CC[C@@H](NC(=O)c2ccc(=O)n(C)n2)[C@H](O)C1 1090789813 IXIKAKWOCUGERA-DGCLKSJQSA-N 306.366 -0.479 30 20 DBED N#Cc1nccnc1N1CCN(C(=O)CNC(=O)C2CC2)CC1 1093137442 CEGZEOUNCYBMRJ-UHFFFAOYSA-N 314.349 -0.477 30 20 DBED CC(=O)NCC(=O)NC1[C@H]2CN(c3ccc(C#N)c(C)n3)C[C@H]12 1093215735 PEIGNHRXQWEBCI-STQMWFEESA-N 313.361 -0.051 30 20 DBED CC(=O)NCC(=O)NC1[C@H]2CN(c3cc(C)ncc3C#N)C[C@H]12 1093215910 RVFBQTDLJBBQNV-STQMWFEESA-N 313.361 -0.051 30 20 DBED CS(=O)(=O)CCCC(=O)NCCNc1cnc(C#N)cn1 1093722932 AIIYSEIZDJGRKF-UHFFFAOYSA-N 311.367 -0.299 30 20 DBED N#Cc1c[nH]ccc1=NCCCNC(=O)CN1C(=O)CCC1=O 1094434749 LGDMUMFASYIIMD-UHFFFAOYSA-N 315.333 -0.558 30 20 DBED C#CCCN1CC(N2C[C@H](NC(=O)Cc3cc[nH]n3)CC2=O)C1 1094718329 ZSBCPAHGMFBHLY-CYBMUJFWSA-N 315.377 -0.623 30 20 DBED C=C(C)CN1CC(N2C[C@H](NC(=O)c3ncn(C)n3)CC2=O)C1 1094735976 YQMPCVUSSAEEPO-LLVKDONJSA-N 318.381 -0.594 30 20 DBED CNC(=O)CC(=O)N1CC[C@@H](Nc2nc(C)cc(C#N)n2)C1 1095029973 HCFADKZGJDHTON-SNVBAGLBSA-N 302.338 -0.194 30 20 DBED C#CCCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN1CCOCC1=O 1095539925 QAEDSKXPXLCAEZ-RDBSUJKOSA-N 305.378 -0.410 30 20 DBED CN(CCCNC(=O)[C@H]1CCCC(=O)N1)c1ccnc(C#N)n1 1095661002 BFECGYPSAMNVSV-LLVKDONJSA-N 316.365 -0.041 30 20 DBED CNC(=O)CC(=O)N1CCC[C@@H](CN=c2cc[nH]c(C#N)n2)C1 1097361617 WGJFCEQLVSZHCD-NSHDSACASA-N 316.365 -0.443 30 20 DBED C[C@H](CNC(=O)c1c[nH]c(C#N)c1)Nc1ccc2nnnn2n1 1097766594 OBMCLNCGZPQGGE-MRVPVSSYSA-N 311.309 -0.051 30 20 DBED C[C@@H](CNC(=O)CCN1CCCC1=O)N=c1cc[nH]c(C#N)n1 1097864767 WDFPHUGOEADEOM-NSHDSACASA-N 316.365 -0.301 30 20 DBED CCc1nc(C#N)cc(N[C@H](C)CNC(=O)Cn2ncnn2)n1 1098084855 WKTLTYCEGZYRGB-SECBINFHSA-N 315.341 -0.486 30 20 DBED C=C(C)CN(CCO)C1CCN(C(=O)[C@@H]2CCNC2=O)CC1 1098448969 ZJDRGNQZDFCIID-CQSZACIVSA-N 309.410 -0.016 30 20 DBED C[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2)CC2(CCN(CC#N)CC2)O1 1098577433 DIZDKVJJGJZXEU-CHWSQXEVSA-N 320.393 -0.130 30 20 DBED C[C@@H]1CN(C(=O)[C@@H]2CCNC2=O)CC2(CCN(CC#N)CC2)O1 1098619848 NRWNQZIJSRLKKU-CHWSQXEVSA-N 320.393 -0.272 30 20 DBED C=CCN1C[C@H](NC(=O)CNC(N)=O)CC2(CCOCC2)C1 1099564237 UFWBHAYIDIJCMO-GFCCVEGCSA-N 310.398 -0.172 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)Cc2nnc(C)o2)[C@H](O)C1 1099801706 JNIBWKJYJFVLFT-QWHCGFSZSA-N 324.381 -0.325 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CCc2ccnn2C)[C@H](O)C1 1099861170 OELRRWITEDRPFX-HUUCEWRRSA-N 304.394 -0.073 30 20 DBED C#CCN1CC[C@@H](NC(=O)CNC(=O)C(CC)CC)[C@@H](O)C1 1100148788 UMFZAWLEIZSJCG-KGLIPLIRSA-N 309.410 -0.277 30 20 DBED CN(CCNC(=O)CCCn1ccnn1)c1nccnc1C#N 1100179222 PCBUFAVTSJDZQA-UHFFFAOYSA-N 314.353 -0.027 30 20 DBED COCC#CCN1C[C@@H](C)[C@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 1102292254 FZHSVPYZOIJLBH-UPJWGTAASA-N 308.382 -0.998 30 20 DBED CC(=O)NCC(=O)N(C)[C@@H]1CCN(c2nccnc2C#N)C1 1102669964 MJLHGLMPCGLFMV-LLVKDONJSA-N 302.338 -0.479 30 20 DBED COCC#CCN1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC(=O)N2)C1 1102777696 YCHROESIUBIJQY-RBSFLKMASA-N 321.421 -0.011 30 20 DBED C#CCN1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C)NC(=O)COC)C1 1103020515 VBQFFEJACOFMQE-MGPQQGTHSA-N 309.410 -0.155 30 20 DBED C#CCOCCC(=O)N1CC(n2cc(CNCCCO)nn2)C1 1105240650 WLGAXHRXGDYFAA-UHFFFAOYSA-N 321.381 -0.827 30 20 DBED CN(CCN(C)c1ccnc(C#N)n1)C(=O)[C@H]1COCCN1C 1105373351 SLFHYPGLBXIZBE-GFCCVEGCSA-N 318.381 -0.427 30 20 DBED CN(CCN(C)c1ncccc1C#N)C(=O)Cn1cnnc1O 1105387013 YQIMFJCFYNCGSQ-UHFFFAOYSA-N 315.337 -0.155 30 20 DBED N#Cc1nc(=NC[C@@H](O)CNC(=O)COCC2CC2)cc[nH]1 1105718780 QOIXVYBHIYNQFV-LLVKDONJSA-N 305.338 -0.914 30 20 DBED N#Cc1cnc(NC[C@H](O)CNC(=O)c2ccc(O)nn2)cn1 1105734931 HFTUCJYATJGGHP-VIFPVBQESA-N 315.293 -0.953 30 20 DBED C=CCOCC(=O)NC[C@H](O)CNc1cc(Cl)c(O)nn1 1105746484 DELUGWCLBDICRA-MRVPVSSYSA-N 316.745 -0.073 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@H](O)CNc1cncc(C#N)n1 1105806296 UCAKHLLQXIZGIB-RISCZKNCSA-N 305.338 -0.436 30 20 DBED CC(C)[C@@H](C(=O)NC[C@@H](O)CNc1nccnc1C#N)N(C)C 1105918162 YUKCFZALZYJDCT-AAEUAGOBSA-N 320.397 -0.177 30 20 DBED N#Cc1cnc(NC[C@H](O)CNC(=O)Cn2nccn2)c(F)c1 1105986227 WMYGDNZKLZQSAV-SNVBAGLBSA-N 319.300 -0.727 30 20 DBED C[C@@H](CCNc1cncc(C#N)n1)NC(=O)CS(C)(=O)=O 1106239303 PHEVIAXFCQZEPZ-VIFPVBQESA-N 311.367 -0.300 30 20 DBED C[C@@H](CCNc1ccc(C#N)cn1)NC(=O)Cn1ncnn1 1106454502 MDWUGTSOOBQBKM-JTQLQIEISA-N 300.326 -0.053 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@@H]1CN(C(=O)CCN(C)C)C[C@H]1C 1106623673 YVYVCPJNDPYXBY-RBSFLKMASA-N 322.453 -0.240 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)CCn1cncn1 1106681289 GKKVHOGDVMRMCV-UHFFFAOYSA-N 314.353 -0.288 30 20 DBED C[C@H](CNc1ncccc1C#N)NC(=O)CN1C(=O)CNC1=O 1107761240 DTTDSVLGNCKBJK-SECBINFHSA-N 316.321 -0.578 30 20 DBED C=CCN1CCO[C@@](C)(CNC(=O)[C@H](C)NC(=O)COC)C1 1107965200 SDYRRYMHTWIZAV-WFASDCNBSA-N 313.398 -0.469 30 20 DBED CCCN1C[C@H](C(=O)NC[C@]2(C)CN(CC#N)CCO2)CC1=O 1108250167 PJVJPEKEIKCZFU-CZUORRHYSA-N 322.409 -0.024 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)CCCOCC)CC2=O)C1 1108513218 DHRNJHGFBMGBNF-ZDUSSCGKSA-N 307.394 -0.162 30 20 DBED N#CCN1CC(N2C[C@@H](NC(=O)C3(C(F)F)CC3)CC2=O)C1 1108544794 KFIOIYBOLABTME-VIFPVBQESA-N 312.320 -0.043 30 20 DBED C[C@@H](CNc1cncc(C#N)n1)NC(=O)[C@@]1(C)CNC(=O)C1 1108610684 LRHICBRYOLHWDQ-LKFCYVNXSA-N 302.338 -0.209 30 20 DBED C[C@@H](CN(C)c1nccnc1C#N)NC(=O)[C@@H]1CCC(=O)NC1 1109305338 ODCPFOWRIDXKFJ-WDEREUQCSA-N 316.365 -0.185 30 20 DBED CN(CCCN=c1cc[nH]c(C#N)n1)C(=O)[C@]1(C)CCNC1=O 1109620347 XAWIRHRMNBZBGY-OAHLLOKOSA-N 316.365 -0.443 30 20 DBED Cc1conc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1109929875 ZBELHUXZYOQXKJ-WOPDTQHZSA-N 317.349 -0.042 30 20 DBED N#Cc1cncc(NC[C@@H](NC(=O)[C@@H]2CCNC2=O)C2CC2)n1 1109946374 RHGXNYCCXFZOTK-VXGBXAGGSA-N 314.349 -0.209 30 20 DBED Cc1cc(C#N)nc(NC2(CNC(=O)[C@@H]3CNC(=O)N3)CC2)n1 1110324395 MLMILEZGWFLYBO-JTQLQIEISA-N 315.337 -0.601 30 20 DBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cnon1 1111167294 XRNSCNSSSDTYDF-FOGDFJRCSA-N 305.338 -0.293 30 20 DBED C=CCOCCN[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C(F)(F)F 1112155971 SWAFDXSTGGPSRN-RKDXNWHRSA-N 309.288 -0.347 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)CNC(=O)CCC)CC1 1112662082 WCXMENLJWQAMNN-CYBMUJFWSA-N 324.425 -0.262 30 20 DBED Cc1ccc(C#N)c(N2C[C@@H](O)[C@H](CNC(=O)CC(N)=O)C2)n1 1112723303 UMPIMMIFYIZWKR-VXGBXAGGSA-N 317.349 -0.950 30 20 DBED C[C@H](NC(=O)Cn1ncnn1)[C@@H](C)Nc1nccnc1C#N 1113193089 DRNDAWPMGZDWRU-DTWKUNHWSA-N 301.314 -0.660 30 20 DBED CCc1nc(C(=O)N[C@H]2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]32)co1 1114161682 KVYYABZYAIIZKU-MSRIBSCDSA-N 317.349 -0.463 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@H]1[C@@H]2CN(CCNC(=O)C3CC3)C[C@@H]21 1114193540 CAYYEBGQGCNGAM-RPCCPQHDSA-N 321.421 -0.114 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)CC3(O)CCC3)[C@H]2C1 1114249808 JJOKPFPINQLRAN-RMRHIDDWSA-N 319.405 -0.524 30 20 DBED N#CCNC(=O)CN1C[C@@H]2C(NC(=O)CCC(F)F)[C@H]2C1 1114579974 ZQOGFQJGBKYRQU-IUCAKERBSA-N 300.309 -0.282 30 20 DBED C=C[C@@H](COC)NS(=O)(=O)c1cnn(CC(=O)OC)c1 1116615932 QZNPQNFHFJTTGZ-VIFPVBQESA-N 303.340 -0.465 30 20 DBED N#CCCN1CCN(C(=O)C(=O)N2CC[C@](O)(C3CC3)C2)CC1 1119015133 KAGZVTWQYVBYQC-MRXNPFEDSA-N 320.393 -0.582 30 20 DBED C#CCn1ccc(CN(CC)C(=O)C(=O)N2CCC[C@H](N)C2)n1 1119545933 ULDBOQQUSCVXFZ-ZDUSSCGKSA-N 317.393 -0.186 30 20 DBED CC(C)N1C[C@H](NC(=O)C(=O)N2CCC[C@@H](C#N)C2)CC1=O 1119687180 RGDMKNOIIKLCCD-NWDGAFQWSA-N 306.366 -0.126 30 20 DBED C#CCOCCn1nnnc1N1CCOC2(CCOCC2)C1 1120161356 GSTURINOIBKMGN-UHFFFAOYSA-N 307.354 -0.291 30 20 DBED C[C@@H](C#N)C(=O)NC1CC2(CC(NCC(=O)NCC#N)C2)C1 1120834910 QCPBEADCBJBALQ-ZWESNROVSA-N 303.366 -0.197 30 20 DBED N#Cc1cncc(N[C@H](CO)CNC(=O)C2=COCCO2)n1 1121009749 CJTLHJXQLZSPGM-JTQLQIEISA-N 305.294 -0.875 30 20 DBED CC(=O)N[C@@H](C)C(=O)NC[C@@H](CO)Nc1ncccc1C#N 1121011636 YOEUEJPBUOGIEP-CABZTGNLSA-N 305.338 -0.633 30 20 DBED CC(=O)CCCC(=O)NC[C@H](CO)Nc1nccnc1C#N 1121050276 MIPVDWLZUKDKIX-LLVKDONJSA-N 305.338 -0.003 30 20 DBED CCn1cnc2c(N[C@H](CO)CNC(=O)[C@H](C)C#N)ncnc21 1121212611 IEILHJITIARYHL-ZJUUUORDSA-N 317.353 -0.105 30 20 DBED C=CCOCC(=O)NC[C@@H](CO)Nc1nc(C)cc(OC)n1 1121325252 WRLVYKTYVVQDHG-NSHDSACASA-N 310.354 -0.115 30 20 DBED C/C(=C/C(=O)N1CCOC[C@@H]1C#N)C(=O)N1CCOC[C@@H]1C#N 1123521669 PZKSMAYFYPQIFG-ISGXEFFDSA-N 318.333 -0.565 30 20 DBED C[C@H](C#N)C(=O)N(C)C[C@@H](O)CNc1ncnc2c1nnn2C 1124191473 MWHNAYBGSVCDBU-BDAKNGLRSA-N 318.341 -0.851 30 20 DBED CN(C[C@@H](O)CNc1nc[nH]c2ncnc1-2)C(=O)C#CC1CC1 1124283547 NCZLRMHCDVQNBS-NSHDSACASA-N 314.349 -0.051 30 20 DBED C=CCOCC(=O)NCCN[C@@H](C)C(=O)NC(=O)NC(C)C 1124772905 LMRCODMTXYMJQY-NSHDSACASA-N 314.386 -0.483 30 20 DBED N#CCNC(=O)CNCCNC(=O)[C@@H]1C[C@H]2CCCCN2C1 1127256639 QGQOSMTUIISXFX-CHWSQXEVSA-N 307.398 -0.794 30 20 DBED C=CCN[C@@H]1CCN(c2cccc(CNC(=O)C(N)=O)n2)C1 1127845356 GFEGTLQKKYEULM-GFCCVEGCSA-N 303.366 -0.463 30 20 DBED C=CCN1CCn2ncc(CNC(=O)CNC(=O)OC)c2C1 1128224048 HIFTUEKXRROLAD-UHFFFAOYSA-N 307.354 -0.143 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)c1cnn2ncccc12 1129606228 DTTIYTCMXPVDMY-LLVKDONJSA-N 316.365 -0.261 30 20 DBED C=CCOCC(=O)N1C[C@H](n2ccnn2)[C@H](NCCOCC)C1 1129681309 OILOOOLOVKDVSC-KGLIPLIRSA-N 323.397 -0.141 30 20 DBED C=CCNC(=O)CNCCNC(=O)CS(=O)(=O)CC(C)C 1130337152 JTMQZOHUWCJZDJ-UHFFFAOYSA-N 319.427 -0.935 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC(=O)NCCN(CC#CC)CC1 1131360524 XOZLHDDVWGRIFZ-OAHLLOKOSA-N 319.405 -0.302 30 20 DBED C#CCNC(=O)CN1C[C@H](NC(=O)c2ccnnc2)CC[C@H]1C 1132322251 QLTNFYVAOLRKGC-TZMCWYRMSA-N 315.377 -0.191 30 20 DBED C#CCNC[C@@H]1CN(C(=O)c2nnc(O)nc2O)CC[C@H]1C 1132955513 SIVVOUPASRGKCP-NXEZZACHSA-N 305.338 -0.396 30 20 DBED C#CCNC[C@H]1CN(C(=O)CN2C(=O)CNC2=O)CC[C@@H]1C 1133305837 GMJVREBPYSMFEL-RYUDHWBXSA-N 306.366 -0.754 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)c1cn(C)nc1C 1133937043 UISCFHAKKFWJLB-VXGBXAGGSA-N 319.409 -0.036 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)c1cnnn1C 1134288403 HUWVENLWFIVJBW-GHMZBOCLSA-N 306.370 -0.949 30 20 DBED C#CCCN[C@H](C)C[C@H](C)NC(=O)CCS(=O)(=O)NC 1134352083 MXGKZDFWBOSICT-NEPJUHHUSA-N 303.428 -0.178 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)CCNC(=O)C1CCC1 1135201662 KCJSDIMSKHYOPJ-LBPRGKRZSA-N 322.409 -0.864 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@H](C(C)C)N(CC)CC 1135474472 QVUHAVYLGNEGPI-HNNXBMFYSA-N 310.442 -0.192 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)[C@@H]1[C@H]3COC[C@H]31)C2 1148095063 DBZLEMIMIJCLCJ-NHAGDIPZSA-N 317.389 -0.838 30 20 DBED C#CCNC(=O)CN1CCCO[C@H](CNC(=O)[C@H](C)CC)C1 1149205522 BOKMWCPQEHTWLV-ZIAGYGMSSA-N 309.410 -0.011 30 20 DBED C[C@H]1CCn2ncc(C(=O)NCCNCC(=O)NCC#N)c2C1 1149345291 UURIJSGGISAQRR-NSHDSACASA-N 318.381 -0.575 30 20 DBED CN1CC[C@H](CC(=O)NC[C@@H]2CN(CC#N)CCCO2)C1=O 1149890825 VQLOXRMXNBWCJR-CHWSQXEVSA-N 308.382 -0.415 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)c1ccc(O)nn1 1151706918 RJMIIBIOJZTSKF-LLVKDONJSA-N 319.365 -0.628 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cnc(COC)s1 1153766271 OQIBHKPLVHTPIE-UHFFFAOYSA-N 310.379 -0.642 30 20 DBED C#CCO[C@H](C)C(=O)NCCCNCc1nc(N(C)C)no1 1157868799 ACNNUHHVKLSHPF-LLVKDONJSA-N 309.370 -0.230 30 20 DBED C=CCNC(=O)CNCCCNC(=O)c1coc(C(N)=O)c1 1163218234 YSCXWDQZRFDRIO-UHFFFAOYSA-N 308.338 -0.610 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)c1ccc(C#C)nc1 1171595210 YKUWTAXZZSCVPH-CYBMUJFWSA-N 312.373 -0.090 30 20 DBED CCNC(=O)CCC(=O)N1CC[C@H]2OCCN(CC#N)[C@H]2C1 1176962591 KLAVTARHIRSXPO-QWHCGFSZSA-N 308.382 -0.272 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)CCCn3cncn3)C[C@@H]21 1177125745 SHQOHPKKMNNYBG-LSDHHAIUSA-N 317.393 -0.007 30 20 DBED COCC#CCNC[C@H]1C[C@H]2CC[C@H]1N(C(=O)CNC(N)=O)C2 1177603972 DEVRCMPPUSTROZ-MGPQQGTHSA-N 322.409 -0.479 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)c2cn(C)cn2)[C@H]1C 1178468237 YJTJYRIINQNWSA-AGIUHOORSA-N 317.393 -0.249 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H](C)OCC2CC2)C1 1181443694 IWPVJEKHEDAQOJ-GXTWGEPZSA-N 307.394 -0.259 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)c2cc(OCC)n[nH]2)C1 1183526249 DEJUEODCHHHGBW-LLVKDONJSA-N 321.381 -0.085 30 20 DBED C=CCn1cc(C(=O)N2CC[C@@H](NCC(=O)NC(C)C)C2)nn1 1186193448 DTSBVXOQSJWYSH-GFCCVEGCSA-N 320.397 -0.207 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2snnc2C)C1 1188804815 YHIXPICWNNZQMW-NSHDSACASA-N 321.406 -0.258 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)C2(C(=O)NC)CC2)C1 1192824961 CXQNLGBTRYNGRG-GFCCVEGCSA-N 322.409 -0.653 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@H]1CCN(C(=O)c2cnon2)C1 1192976215 AHUVOVUFQYUJNI-MNOVXSKESA-N 305.338 -0.646 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)Cc2ccc(O)nc2)C1 1194768765 DWDABJODLHSZCL-ZIAGYGMSSA-N 321.377 -0.306 30 20 DBED N#CCNC[C@H]1CN(C(=O)c2cc3n(n2)CCO3)CCCO1 1200696107 GWLVRVWRLOEDFW-NSHDSACASA-N 305.338 -0.380 30 20 DBED N#CCNC[C@@H]1CN(C(=O)c2coc(C(N)=O)c2)CCCO1 1201063928 ZOPIEPUABCKIGG-LLVKDONJSA-N 306.322 -0.277 30 20 DBED C=CCNC1CCN(C(=O)[C@@H](CCC(N)=O)NC(C)=O)CC1 1202962269 YSTIWBCSYJMBNS-CYBMUJFWSA-N 310.398 -0.477 30 20 DBED COCC#CCNC1CCN(C(=O)CCc2cn(C)nn2)CC1 1204125675 ZWHUYZHZLLERAT-UHFFFAOYSA-N 319.409 -0.022 30 20 DBED C=CCNC(=O)CNCC1CCN(C(=O)C(C)(C)C(N)=O)CC1 1205487791 MTABILGBMWMJDI-UHFFFAOYSA-N 324.425 -0.372 30 20 DBED Cc1nnsc1C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1205921733 LZRMHQXDKKUCJH-PSASIEDQSA-N 322.394 -0.464 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)CCCOC)[C@H](C)C1 1206252206 CJORIVBKXJIQAL-HZSPNIEDSA-N 309.410 -0.013 30 20 DBED C=CCN1CC[C@H](N[C@@H]2CCCN(C(=O)CC(=O)NC)C2)C1=O 1207902584 PAAKWAFJGVFSJB-OLZOCXBDSA-N 322.409 -0.510 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCCN(C(=O)c2cnnn2C)C1 1207957220 FLRCZRQOUGXOET-RYUDHWBXSA-N 318.381 -0.853 30 20 DBED C#CCOCCC(=O)N1CCC[C@H](N[C@@H]2CCC(=O)NC2=O)C1 1208032015 ILAIANKJMAJGCC-QWHCGFSZSA-N 321.377 -0.588 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCCN(C(=O)c2ccnnc2)C1 1209809796 YLFZZPFQFVLKJC-JSGCOSHPSA-N 315.377 -0.191 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2ncccn2)C[C@H]1OC 1212262700 WRHLACVJTCHWMG-ZIAGYGMSSA-N 318.377 -0.168 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)c2cc(CC)[nH]n2)C[C@H]1C 1214169912 JIANMPVWADXAKH-BXUZGUMPSA-N 317.393 -0.228 30 20 DBED CC#CCN[C@@H]1CN(C(=O)[C@H]2CN(C(C)=O)CCO2)C[C@H]1C 1216627205 SHBIZRGAZJZLPF-BPLDGKMQSA-N 307.394 -0.307 30 20 DBED C=CCCC(=O)N[C@@H]1CN([C@H]2CCN(CC=C)C2=O)C[C@@H]1O 1219344442 KQGDPELCDICGDP-RDBSUJKOSA-N 307.394 -0.099 30 20 DBED CN1CCC[C@H](N2C[C@H](O)[C@H](NC(=O)C#CC(C)(C)C)C2)C1=O 1219598042 FYBDUWHKMUSJMF-RDBSUJKOSA-N 321.421 -0.182 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)CCc2ccon2)C1 1220002529 NFAUSTBFOXAZTC-OLZOCXBDSA-N 322.365 -0.929 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)CCNC(=O)C(C)(C)C)C1 1220114343 ABXGBBXEMNRTTI-OLZOCXBDSA-N 309.410 -0.277 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2nc(C)oc2C)C1 1220597838 OFSHIRRAYWTUMI-NEPJUHHUSA-N 322.365 -0.631 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)CSCC#N)[C@@H]2C1 1221289479 QUWSCLYZGYNVRZ-CHWSQXEVSA-N 320.418 -0.475 30 20 DBED C#CCOCCC(=O)N(C)C[C@H]1CCN1CC(=O)NC1CC1 1234264528 CIWMSSJOGQMMKE-CQSZACIVSA-N 307.394 -0.162 30 20 DBED CNC(=O)[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1cccc(C#N)n1 1261460206 VNHUGHTZPLKNTG-GHMZBOCLSA-N 315.333 -0.077 30 20 DBED COCCn1ccc(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)n1 1319197483 YOEPXIPGMVNHNF-JTQLQIEISA-N 307.310 -0.781 30 20 DBED C#C[C@@H](C)NC(=O)C(=O)Nc1cnn(CCN2CCOCC2)c1 1321668005 QYYOKLUTMSWISK-GFCCVEGCSA-N 319.365 -0.708 30 20 DBED C=C(C)CN(CC)C(=O)C(=O)NC[C@@H]1CCS(=O)(=O)C1 1322190438 MNKYHTIXVUMJDJ-NSHDSACASA-N 302.396 -0.038 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@@H](C)c1nc(C)no1)[C@H]1CCCO1 1322599906 YUYKFYMYDXXSCT-INTQDDNPSA-N 306.322 -0.148 30 20 DBED C=CCN(C(=O)C(=O)NCC(C)(C)NS(C)(=O)=O)C1CC1 1322671020 HTPXTRBCMRGLTB-UHFFFAOYSA-N 317.411 -0.393 30 20 DBED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)NCCCC(=O)NC 1327702790 UOGUPXAEOVBQQV-DGCLKSJQSA-N 311.382 -0.274 30 20 DBED C[C@H]1CN(C(=O)C(=O)NC2CCN(CC#N)CC2)C[C@]1(C)CO 1327967985 MYLLOVZJDXFDEG-BLLLJJGKSA-N 322.409 -0.433 30 20 DBED C#CCCCCNC(=O)C(=O)N1CC[C@H](S(C)(=O)=O)C1 1342363998 KUKPDXYSGIQQIV-NSHDSACASA-N 300.380 -0.448 30 20 DBED C=CCNC(=O)C(=O)Nc1cccc(C(=O)NCC(=O)NC)c1 1344606672 FLBNGLSKBSVLPY-UHFFFAOYSA-N 318.333 -0.597 30 20 DBED C=C(C)CN(C)C(=O)[C@@H]1[C@H](O)C(=O)N(C)[C@H]1c1cnn(C)c1 1347785089 GZAFKMUWOKUWBN-AVGNSLFASA-N 306.366 -0.055 30 20 DBED C=CCOCCNC(=O)C(=O)N1CC(=O)N[C@H]2CCCC[C@H]21 1350580731 WDCKFCONQCDQLM-NWDGAFQWSA-N 309.366 -0.425 30 20 DBED CC(C)[C@H](C#N)N1CCN(C(=O)c2nnc(O)nc2O)CC1 1361731918 NUGJUPVOJGDVJF-VIFPVBQESA-N 306.326 -0.411 30 20 DBED Cn1c(=O)[nH]c(N2CC[C@@H]3NC(=O)CC[C@@H]3C2)c(C#N)c1=O 1364208548 HXHYFPHMKABWGB-SCZZXKLOSA-N 303.322 -0.950 30 20 DBED CNC(=O)NCC(=O)N1CC[C@]2(CCN(C(=O)[C@@H](C)C#N)C2)C1 1379260153 QQXPIXMJSVNPLH-NHYWBVRUSA-N 321.381 -0.474 30 20 DBED C[C@@H](C#N)C(=O)NCC1CN(C(=O)[C@@H]2CCN(C)C(=O)C2)C1 1398817572 XHLVMZKCOGWPOR-CMPLNLGQSA-N 306.366 -0.411 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CC[C@H](NC(=O)Cn2ncnn2)CC1 1399250731 QUXMZNKVIRTKDS-DCAQKATOSA-N 305.342 -0.624 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]1CNC(=O)COCc1ccnn1C 1400451526 XAOQPKMGJMEIDZ-RYUDHWBXSA-N 319.365 -0.187 30 20 DBED C=C(Cl)CN1CC[C@@H](NC(=O)CCn2ncn(C)c2=O)C1 1402178661 CRXMUHGKEWHSJJ-LLVKDONJSA-N 313.789 -0.085 30 20 DBED CC(C)(CCS(=O)(=O)N1CCOC[C@@H]1C#N)S(C)(=O)=O 1413298928 RGHFBCIPUSRVKW-JTQLQIEISA-N 324.424 -0.246 30 20 DBED CC(C)(C#N)CS(=O)(=O)N1CCC(NS(C)(=O)=O)CC1 1414240113 YHXSLKFWLQOFRP-UHFFFAOYSA-N 323.440 -0.120 30 20 DBED CNC(=O)NCC(=O)NC1(CNC(=O)[C@@H](C)C#N)CCCC1 1416325778 RLRXZGOEOJJOJK-JTQLQIEISA-N 309.370 -0.380 30 20 DBED C=C(Cl)CN[C@@H](C)CNC(=O)Cn1ccc(=O)n(C)c1=O 1419757934 QCHNZMDNBBCOTC-JTQLQIEISA-N 314.773 -0.606 30 20 DBED CCCn1cc(C(=O)N(C)C[C@@H](O)CNC(=O)[C@H](C)C#N)nn1 1425879681 SLMRFSFTTOXQHF-MNOVXSKESA-N 322.369 -0.603 30 20 DBED COC[C@H](OC)C(=O)N1CC2(CCN(C(=O)[C@H](C)C#N)C2)C1 1428606726 RRYLKKNPAJGOGQ-NEPJUHHUSA-N 309.366 -0.132 30 20 DBED CCN(CCNC(=O)[C@H](C)C#N)C(=O)Cn1nnnc1C(C)C 1429680983 IBHDXDKMUQCAHU-LLVKDONJSA-N 321.385 -0.079 30 20 DBED Cc1cnc(COCC(=O)N2CC(NC(=O)[C@@H](C)C#N)C2)o1 1430286454 BQUZAJAARDJRAA-VIFPVBQESA-N 306.322 -0.014 30 20 DBED C[C@@H](NC(=O)CCn1cc(C#N)c(O)nc1=O)[C@@H]1CCOC1 1433950438 RRJUMDYGJYCMEN-NXEZZACHSA-N 306.322 -0.248 30 20 DBED C=C(Cl)CN[C@H](CNC(=O)CS(=O)(=O)NC)C1CC1 1441250718 DXJUOGPDVLAOJN-SNVBAGLBSA-N 309.819 -0.228 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)CCc1cnn(C)c1 1458002043 FKACMRXQWMBSGX-CMPLNLGQSA-N 307.354 -0.894 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNCC(=O)NCC1CCCCC1 1482716902 SZESWFDZLAYHSO-OCCSQVGLSA-N 324.425 -0.091 30 20 DBED CC(=O)NCC(=O)N[C@H](C)C1CN(C(=O)c2ccc(C#N)[nH]2)C1 1487141925 HZMRWHYRCRRWGF-SECBINFHSA-N 317.349 -0.401 30 20 DBED C#CCN1CCCN(C(=O)[C@@H]2CCCN(CC(=O)O)C2=O)CC1 1573328083 ZXXWVWQPZZXJQL-ZDUSSCGKSA-N 321.377 -0.523 30 20 DBED C#CCC[C@@H](O)CNC(=O)N[C@@H]1CC2(CNC2)n2ccnc21 1574545427 PQTYEDWFWKCIEA-VXGBXAGGSA-N 303.366 -0.300 30 20 DBED CCN(CCNC(=O)[C@@H](C)C#N)c1ccc(-c2nn[nH]n2)nn1 1577924048 RLBOHVJBMWREON-VIFPVBQESA-N 315.341 -0.241 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N[C@@H]2CNCCC2(F)F)CCO1 1580041739 GCAITJPQDKYMOQ-RKDXNWHRSA-N 310.326 -0.958 30 20 DBED C#C[C@@H]1COCCN1C(=O)N[C@@H]1CCCCN(CC(=O)O)C1=O 1588388952 IZHUZSBIVHRLBQ-VXGBXAGGSA-N 323.349 -0.504 30 20 DBED C=C(C)C(C)(C)C(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@@H]2C(=O)O)C1 1588530139 RLLSBFPTSNAQJU-MNOVXSKESA-N 324.377 -0.001 30 20 DBED C=C[C@@H]1OCC[C@H]1CNc1nc(O)n(C)c(=O)c1-c1nn[nH]n1 1588725977 PUQCDHAFPUEUTA-YUMQZZPRSA-N 319.325 -0.331 30 20 DBED C=CCn1cc(CNS(=O)(=O)CC2(C(=O)O)CC2)nn1 1588909070 HWGHGNXCSXAURF-UHFFFAOYSA-N 300.340 -0.252 30 20 DBED N#CCCCNC(=O)C(=O)Nc1cccc(-c2nn[nH]n2)n1 1592676278 JZZGUEVURSEELD-UHFFFAOYSA-N 300.282 -0.380 30 20 DBED C[C@@](NC(=O)Cn1cc(C#N)c(O)nc1=O)(C(=O)O)C1CC1 1593043489 GZAFHKLUYRVPGO-ZDUSSCGKSA-N 306.278 -0.810 30 20 DBED COCC(COC)S(=O)(=O)N1CCC(C#N)(C(=O)O)CC1 1599164965 BZKWWDSKSYHWJI-UHFFFAOYSA-N 320.367 -0.332 30 20 DBED COC[C@@]1(C(=O)O)CCCN1C(=O)[C@H](C)n1cnc(C#N)n1 1599191508 UKKBOAZHSXVBSW-TVQRCGJNSA-N 307.310 -0.197 30 20 DBED N#CCSCC(=O)NCCCN=c1cc[nH]c(C(=O)O)n1 1601075343 CFDCKRFXDDRQPB-UHFFFAOYSA-N 309.351 -0.228 30 20 DBED C#CCN(CC(=O)O)C(=O)NC[C@H]1CCCS(=O)(=O)C1 1602686033 OGVGQBARRRJLNP-SNVBAGLBSA-N 302.352 -0.459 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC[C@@H](NC(=O)c2cnns2)C1 1713058458 NZCNCESKBLOIGJ-GHMZBOCLSA-N 321.406 -0.130 30 20 DBED COCC#CCN(C)CCCNC(=O)[C@]1(C)CCNC(=O)C1 1751997878 PAIASPNTXCKGRO-MRXNPFEDSA-N 309.410 -0.009 30 20 DBED N#CCN1CCN(CCNC(=O)CCc2cncnc2)CC1 1752367494 OLHOLGHKSZQIAV-UHFFFAOYSA-N 302.382 -0.333 30 20 DBED C[C@H](CNC(=O)c1cc2cnccc2[nH]1)NCC(=O)NCC#N 1752882725 BJSWSXGHDSVEQN-SNVBAGLBSA-N 314.349 -0.089 30 20 DBED N#CCNCCNC(=O)[C@H]1CCCN(C(=O)CCCC(N)=O)C1 1752927103 LNAJIOWMMDORTL-LBPRGKRZSA-N 323.397 -0.890 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC[C@@H]1CNC(=O)CCN(C)C 1753111388 HSLREBKTQDTIME-ZIAGYGMSSA-N 308.426 -0.343 30 20 DBED C#CCN1CCN(CCN(C)C(=O)CCS(C)(=O)=O)CC1 1753342750 WMTSNNVHBFDDSH-UHFFFAOYSA-N 315.439 -0.870 30 20 DBED C=CCNC(=O)CNC[C@@](C)(NC(=O)[C@H]1CCNC1=O)C1CC1 1753521554 QOTOUNOBQSJFGI-BLLLJJGKSA-N 322.409 -0.701 30 20 DBED C=CCNC[C@H](C)N(C)C(=O)Cn1[nH]cc2c(=O)ncnc1-2 1753719157 YPLGCUJXNBBDEK-JTQLQIEISA-N 304.354 -0.306 30 20 DBED C=C(Cl)CNCC[C@H](C)NC(=O)Cn1c(O)nnc1O 1754017506 CAUICHPQFUHTMM-QMMMGPOBSA-N 303.750 -0.074 30 20 DBED CCN(CCNC[C@H](O)CN1CCCC1=O)C(=O)[C@H](C)C#N 1754038288 FIBFEXZEHMZZSK-OLZOCXBDSA-N 310.398 -0.433 30 20 DBED C=CCNC(=O)CN1CC(N(C)C(=O)c2snnc2C)C1 1754570031 UKRFULYKYJTETA-UHFFFAOYSA-N 309.395 -0.095 30 20 DBED C#CCNC(=O)CNC1(CNC(=O)[C@H](C)NC(=O)CC)CCC1 1754983417 SKJDVMSEKJDTFG-LBPRGKRZSA-N 322.409 -0.721 30 20 DBED CCCS(=O)(=O)CC(=O)N1CCO[C@@H](CNCC#N)C1 1755017944 OJPHZOFDEGAPOR-NSHDSACASA-N 303.384 -0.848 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)CCCC(C)=O)C[C@@H]1C 1755102917 DAFKWTRWIIWTJJ-GXTWGEPZSA-N 307.394 -0.068 30 20 DBED C#CCNCC1(O)CCN(C(=O)c2cccc(C(N)=O)c2)CC1 1755151240 XNNBFRNJINHPBI-UHFFFAOYSA-N 315.373 -0.025 30 20 DBED C=CCOCCNC[C@H]1C[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1 1755480960 SEBMQIDEIQYIFS-AULYBMBSSA-N 323.393 -0.274 30 20 DBED COCC#CCN1CCN(C(=O)N2CCN(C(C)=O)CC2)CC1 1755556623 ZONUOVPXCDPNCM-UHFFFAOYSA-N 322.409 -0.462 30 20 DBED C=CCNC(=O)CN1CC=C(CNC(=O)[C@H]2CCC(=O)N2)CC1 1755882851 UFBRICOYQQCRSG-CYBMUJFWSA-N 320.393 -0.685 30 20 DBED C[C@@H](NC(=O)CSCC#N)C1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 1756132955 WGXPQYZCNMGVEU-IEBDPFPHSA-N 324.406 -0.672 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H](CO)CNC(=O)c1ccc(F)nc1 1756509651 TWPCIUNIUSVMLU-ZYHUDNBSSA-N 323.324 -0.534 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H](CO)NC(=O)c1c[nH]c(C#N)c1 1756521605 TWVRYCPJBCATKZ-MFKMUULPSA-N 318.333 -0.868 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)Cn1cccn1 1756549827 HIZLQCDTLJCDNE-XQQFMLRXSA-N 322.365 -0.933 30 20 DBED C#CCOCCC(=O)N(C)C1CC(NC(=O)Cn2cncn2)C1 1756741463 SLDGXQSTQAMPHW-UHFFFAOYSA-N 319.365 -0.576 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cnccn1)CCO2 1783048079 OTQXNPOYNGIBRE-HNNXBMFYSA-N 300.318 -0.447 30 20 DBED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1840172396 KSGJVFZYIVPAPJ-HNNXBMFYSA-N 307.350 -0.067 30 20 DBED N#CCC(=O)N1CCCC12CN(C(=O)CCn1cncn1)C2 1842623962 VMDYAPKAWMQMGJ-UHFFFAOYSA-N 302.338 -0.215 30 20 DBED O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1)[C@@H]1CO1 1887573918 ZVTKJOKXJYUSKA-KBPBESRZSA-N 304.346 -0.029 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)C(=O)NC(C)C)CC1 53434962 QEBMXTBIOCEMGZ-GFCCVEGCSA-N 310.398 -0.654 30 20 DBED C[C@H](C#N)CN(C)C(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1 87168179 OEYZIXXRBIYQSP-ZJUUUORDSA-N 313.383 -0.295 30 20 DBED C=CCN(C(=O)CNC[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 152670554 PRSAMOVXZGDBLO-QWHCGFSZSA-N 316.423 -0.043 30 20 DBED N#C[C@@H]1CN(C(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)CCO1 264521431 XDJJWUPKUGOCEI-IJLUTSLNSA-N 305.334 -0.087 30 20 DBED C#CCNC(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 264730709 NAYNDLGHMOXXHX-NSHDSACASA-N 303.384 -0.593 30 20 DBED Cc1cc(S(=O)(=O)NC[C@H]2CC(C(N)=O)=NO2)ccc1C#N 281410094 HTBQESNZXWGRFA-SNVBAGLBSA-N 322.346 -0.225 30 20 DBED N#CCNS(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 298447145 JRRCIQGVNLJEQT-UHFFFAOYSA-N 315.376 -0.071 30 20 DBED C[C@H](CN1CCOCC1)/N=C(/O)N1CCN(C2CC2)C(=O)C1 328650507 BATMOHYMYIOFFP-GFCCVEGCSA-N 310.398 -0.072 30 20 DBED C[C@](O)(CN/C(O)=N/C[C@@H]1CCN(S(C)(=O)=O)C1)C1CC1 328749979 RAKZQUMNSUFHCO-GWCFXTLKSA-N 319.427 -0.068 30 20 DBED C[C@H](C/N=C(/O)N[C@@H]1CCS(=O)(=O)C1)CN1CCOCC1 329855117 TWLXDYQFWCHSPG-VXGBXAGGSA-N 319.427 -0.355 30 20 DBED CCC(=O)N1CC[C@H](/N=C(/O)N2CCN3C(O)=NC[C@@H]3C2)C1 330028990 PJIGYYPPVALWFR-WDEREUQCSA-N 309.370 -0.175 30 20 DBED CN1C[C@H](N/C(O)=N/CC2(OCCO)CCOCC2)CC1=O 330413713 MMYKKIQUNSUCHU-LLVKDONJSA-N 315.370 -0.721 30 20 DBED N#C[C@]1(C(=O)N2CCN(S(N)(=O)=O)CC2)CC12CCCC2 333518103 GKGSEXSOOMRTII-ZDUSSCGKSA-N 312.395 -0.192 30 20 DBED COC[C@@H]1CN(C(=O)C(=O)Nc2ccc(C#N)cn2)CCO1 340062919 GEEGKWQILNFVBL-NSHDSACASA-N 304.306 -0.234 30 20 DBED COC(=O)CN(CC#N)C(=O)C1CCN(C(=O)N(C)C)CC1 348802439 VKSKWIGXFWAMIC-UHFFFAOYSA-N 310.354 -0.095 30 20 DBED C=CCCS(=O)(=O)N(CCN1CCOCC1)CC(=O)OC 360204560 WUZDCZOGNOYCNH-UHFFFAOYSA-N 320.411 -0.301 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CC[C@H](CC(N)=O)C1 377340027 QDUNHHDKSAICBP-WDEREUQCSA-N 302.400 -0.090 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N1CCN(CC(C)(C)O)CC1 407978301 XLIUWWCALZGXOX-GFCCVEGCSA-N 318.443 -0.146 30 20 DBED N#CCNC(=O)CNC(=O)Nc1ccc(S(N)(=O)=O)cc1 586787380 XUFSQCLSXYYCAY-UHFFFAOYSA-N 311.323 -0.905 30 20 DBED CCN(C[C@H](C)C#N)C(=O)CN(C)CC(=O)N1CCN(C)CC1 602989459 PPZZBRHTTDTYDA-CQSZACIVSA-N 323.441 -0.300 30 20 DBED CC#CC[C@@H](CO)NS(=O)(=O)CCCN1CCN(C)CC1 632505878 MLLAKRJANQJLKS-AWEZNQCLSA-N 317.455 -0.682 30 20 DBED CN1CC[C@@H](C(=O)OCC(=O)N(CCC#N)CCC#N)C1=O 772529464 VUHYAMIHDORPQE-LLVKDONJSA-N 306.322 -0.336 30 20 DBED CN1CC[C@@H](C(=O)NS(=O)(=O)Cc2cccc(C#N)c2)C1=O 774034608 VLAFHHRRRDPTCN-LBPRGKRZSA-N 321.358 -0.017 30 20 DBED CCNC(=O)CC(=O)OCc1cc(O)n2ncc(C#N)c2n1 784855435 KKXWMUZNTKUHFH-UHFFFAOYSA-N 303.278 -0.124 30 20 DBED CN(CCS(C)(=O)=O)C(=O)C(=O)NCc1cccc(C#N)c1 787346576 SSFAGBXGAXQHFP-UHFFFAOYSA-N 323.374 -0.323 30 20 DBED C#CCCS(=O)(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)OCC 808308365 BSOLIYFYIUZXLI-NXEZZACHSA-N 304.368 -0.615 30 20 DBED CC[C@]1(C)NC(=O)N(NS(=O)(=O)c2ccc(C#N)nc2)C1=O 808309605 FSMDUPHPGYFROM-LBPRGKRZSA-N 323.334 -0.133 30 20 DBED N#Cc1ccc(S(=O)(=O)CCN2CCCNC(=O)C2)nc1 808718981 RLLGBBIEYUYHJI-UHFFFAOYSA-N 308.363 -0.451 30 20 DBED O=C1NC(=O)C(=NNC(=S)NCc2ccccc2)C(=O)N1 814213712 HCHXGHKXQQOJFT-UHFFFAOYSA-N 305.319 -0.627 30 20 DBED C#C[C@H](NC(=O)C(=O)N(C)C[C@H]1CCCN1C)[C@H]1CCCO1 817839561 ZNBJDWLIOREDOA-HZSPNIEDSA-N 307.394 -0.164 30 20 DBED C#CCOCCc1nc(-c2cncc(S(N)(=O)=O)c2)no1 820958148 XNGHIYSEBLQUSV-UHFFFAOYSA-N 308.319 -0.029 30 20 DBED CC(C)CN(CCC(=O)O)c1c(C#N)c(=O)n(C)c(=O)n1C 826875820 IFAPCMNQZSYXJJ-UHFFFAOYSA-N 308.338 -0.107 30 20 DBED C#CC[C@@H](NC(=O)[C@@H]1CCCCN1S(C)(=O)=O)C(=O)OC 837932565 ATIBAYOLGPYFKR-MNOVXSKESA-N 316.379 -0.518 30 20 DBED C#CCC[C@@H](O)CNC(=O)CCn1cnc2c(N)ncnc21 847169693 CFBPIKDTGMCBLJ-SNVBAGLBSA-N 302.338 -0.311 30 20 DBED CCN(C[C@@H](C)C#N)C(=O)COC(=O)Cn1nc(C)n(C)c1=O 848844846 KLLRMNLDFWCRCD-JTQLQIEISA-N 323.353 -0.558 30 20 DBED COc1cc(C(=O)N[C@H]2CCN(C(=O)[C@H](C)C#N)C2)nn1C 938355232 GFTOLAKIOUATKB-ZJUUUORDSA-N 305.338 -0.081 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)c3ncn(C)n3)C2)nc1 938372907 XCKSNMNYOAUNHO-LBPRGKRZSA-N 324.344 -0.164 30 20 DBED N#CCN1C[C@H]2CCN(C(=O)CN3CCNC(=O)C3)CC[C@H]2C1 946714143 GDGAIGGMOJVNCH-OKILXGFUSA-N 319.409 -0.888 30 20 DBED C=C1CC(C)(C(=O)N2C[C@H]3C[C@H]2[C@@H]3NC(=O)c2nnn(C)n2)C1 947771024 ZUQJKRGFIRRUNG-OUAUKWLOSA-N 316.365 -0.105 30 20 DBED C=CCCN1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)CC1 948630490 LEBRWTPQGGLYOV-UHFFFAOYSA-N 306.366 -0.733 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2CCN2C(=O)Cn2cncn2)cn1 951385512 FZMLUUUWBJNRJV-CQSZACIVSA-N 324.344 -0.315 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CCC[C@H](C1)N2C(=O)[C@H]1CCNC1=O 952785440 KNFFROHKVQGSNC-RVMXOQNASA-N 318.377 -0.126 30 20 DBED C[C@H](C#N)C(=O)N1CC(N(C)C(=O)[C@H]2CCc3nncn3C2)C1 954497002 RERJJTDRKXHRAI-MNOVXSKESA-N 316.365 -0.331 30 20 DBED C#CCCN1C[C@H](O)[C@H](CNC(=O)c2cnc(C)nc2OC)C1 958121667 JMNNDXUDGRNGLQ-OCCSQVGLSA-N 318.377 -0.161 30 20 DBED CN1C[C@@H](C(=O)N[C@@H]2Cc3ccccc3[C@H]2NCC#N)NC1=O 960290713 DRLMUABIWCKZTR-HZSPNIEDSA-N 313.361 -0.095 30 20 DBED O=C1NC[C@@H](C(=O)N[C@H]2[C@@H]3CN(CC#Cc4ccccc4)C[C@@H]32)N1 961627310 JSVDAEFBHFTSDD-XUWVNRHRSA-N 324.384 -0.234 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2[C@@H]3CN(CC(=O)N4CCC4)C[C@@H]32)cn1 962346231 XUIRLGOJORTBKL-QLPKVWCKSA-N 324.384 -0.045 30 20 DBED Cc1cnn(C)c1C(=O)NC[C@@H]1COCCN1C(=O)[C@@H](C)C#N 964322455 CJMXEWFRDCKQGI-CMPLNLGQSA-N 319.365 -0.155 30 20 DBED C[C@H](C#N)C(=O)N1CCOC2(C1)CN(C(=O)C(C)(C)C(N)=O)C2 965465398 JTYTYNPYWPJUCO-SNVBAGLBSA-N 322.365 -0.903 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2CN(C(=O)CC(N)=O)C[C@@H]2C)c1 966267104 XZUJLTBDTGPWTB-GXFFZTMASA-N 314.345 -0.485 30 20 DBED C[C@@]1(C(=O)N2CC[C@@]3(CN(CC#N)CCO3)C2)CCNC1=O 972550091 VQTDIRQDRDWZOK-HUUCEWRRSA-N 306.366 -0.661 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)c3cnc(O)n3C)[C@@H]2C1 974730647 JISMIWIEIMSNIA-CKYFFXLPSA-N 317.349 -0.042 30 20 DBED Cn1cc(C(=O)N[C@@H]2CN(CC#N)CC2(C)C)c(=O)n(C)c1=O 975112772 KYDFRZHDVZAXEP-LLVKDONJSA-N 319.365 -0.952 30 20 DBED C[C@@H]1[C@H](NCc2nnn(C)n2)CCN1C(=O)c1ccc(C#N)[nH]1 986186735 QYTWKMBHYQZJLK-MWLCHTKSSA-N 314.353 -0.197 30 20 DBED C[C@@H]1C[C@@H](NCc2nnn(C)n2)CN1C(=O)c1c[nH]c(C#N)c1 988612470 LPHPIGVKQHTGCB-BXKDBHETSA-N 314.353 -0.197 30 20 DBED C#CCN[C@H]1C[C@H](C)N(C(=O)c2ccc(-n3cnnn3)cn2)C1 989219629 CWJYEIIYNZYGHB-RYUDHWBXSA-N 311.349 -0.117 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CCCCO2)C1 994749928 FJJZRXXLELXIOB-GJZGRUSLSA-N 319.405 -0.020 30 20 DBED CC(=O)N1CC(N2C[C@H](NC(=O)c3c[nH]c(C#N)c3)CC2=O)C1 995499758 OSWXYQDWXBXZJJ-GFCCVEGCSA-N 315.333 -0.552 30 20 DBED C=C(C)CN[C@H]1CN(C(=O)[C@@H]2CC(=O)NC(=O)N2)CC1(C)C 996360121 GUUAHHAORNRXPI-QWRGUYRKSA-N 308.382 -0.013 30 20 DBED C#CCN1CC[C@@H](n2cc(CNC(=O)c3cnccn3)nn2)C1 999962859 RCYLRKKFNLSWBO-CYBMUJFWSA-N 311.349 -0.122 30 20 DBED Cc1c(C(=O)NC[C@H]2[C@@H]3CN(C(=O)[C@@H](C)C#N)C[C@H]23)nnn1C 1008920880 ZDDJJTFLWDTGTN-PDEGPIFNSA-N 316.365 -0.283 30 20 DBED C=C(C)CN1CCC[C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C1 1009567013 WKEGEFPSZGLOAM-VXGBXAGGSA-N 301.412 -0.165 30 20 DBED NC(=O)C(=O)N[C@@H]1CC[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2C1 1009879056 CTVINZAREUTGFK-FRRDWIJNSA-N 303.362 -0.372 30 20 DBED C[C@]1(C(=O)NC2[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]23)CCNC1=O 1013790184 BJPCCNLFGJHUGW-QFSBIZTOSA-N 315.373 -0.501 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCN(Cc2nc(=O)n(C)[nH]2)C1 1015722189 VUJKKCHYGQYGOH-UTUOFQBUSA-N 321.381 -0.610 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cn(C[C@@H]3CCOC3)nn2)C1 1015916899 SPXATSNVQXFZLX-STQMWFEESA-N 303.366 -0.248 30 20 DBED C#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CCc2nnc(O)n2C1 1017678593 YIWMQJXQRRICAE-RWMBFGLXSA-N 315.377 -0.146 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCN(C(=O)C[C@H]3CCNC3=O)C2)C1 1019364734 LAMZGUUPUSNTIC-VXGBXAGGSA-N 318.377 -0.267 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]2CN(C(=O)CCc3nc[nH]n3)C[C@H]21 1022564133 GILRSSKNEVMXJX-SDDRHHMPSA-N 316.365 -0.044 30 20 DBED C#CCCN1CCC[C@@H](CNC(=O)c2nnc(O)nc2O)C1 1023468018 HGZWVTSTVQTXJP-JTQLQIEISA-N 305.338 -0.252 30 20 DBED C=C(C)CN1[C@H]2CC[C@H]1CN(C(=O)C[C@@H]1NC(=O)NC1=O)C2 1029342144 XOKFMQXLUMITQS-SRVKXCTJSA-N 306.366 -0.164 30 20 DBED Cc1nc(O)nc(O)c1CC(=O)N1C[C@@H]2CC[C@H](C1)N2CC#N 1029524038 KHDYKMCWGWAFIV-PHIMTYICSA-N 317.349 -0.063 30 20 DBED COc1c(C(=O)NC[C@H]2CN(CC#N)CCO2)c(C)nn1C 1035528199 YWMHOAKGGGPNQV-NSHDSACASA-N 307.354 -0.309 30 20 DBED CC#CCN1CC2(CCN(C(=O)Cn3cnnc3O)CC2)C1 1035690738 ZYTNPMBLBUYIKY-UHFFFAOYSA-N 303.366 -0.069 30 20 DBED C=CCN1CC[C@H]2CN(C(=O)CN3CC(=O)NC3=O)CC[C@H]21 1036843660 KBTLQVYGHCUBKE-NWDGAFQWSA-N 306.366 -0.353 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCN1Cc1nnnn1C 1038708453 PXUWFJRXEXQZPE-TUAOUCFPSA-N 306.370 -0.508 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@]1(O)CCN(C(=O)c2cnco2)C1 1039724591 AJDURBZYDGJREX-NHYWBVRUSA-N 321.333 -0.594 30 20 DBED Cn1cnn(CC(=O)N2CCC3(CCN(CC#N)CC3)C2)c1=O 1040753954 UKBSXJQOXMLNOR-UHFFFAOYSA-N 318.381 -0.580 30 20 DBED C=C1CC(C)(C(=O)NC[C@]2(O)CCN(C(=O)c3nc[nH]n3)C2)C1 1040850049 JDYNLHYWKUGVJK-OAHLLOKOSA-N 319.365 -0.146 30 20 DBED C#CCN1CCC2(CC1)CCN(C(=O)C[C@H]1CC(=O)NC1=O)C2 1040959976 NLVMNYHRPUGNST-CYBMUJFWSA-N 317.389 -0.013 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)Cc2cnc[nH]2)C1 1041035734 LQTQLBFRWUGQLY-QMTHXVAHSA-N 305.338 -0.809 30 20 DBED C=CCCO[C@H](C)C(=O)NCC1(O)CN(C(=O)c2cnco2)C1 1041869378 HWURWCUPXFQOGX-LLVKDONJSA-N 323.349 -0.041 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC(O)(CNC(=O)[C@H]3CCOC3)C2)c1 1041874342 RAFHMECAVXEMRY-NSHDSACASA-N 318.333 -0.774 30 20 DBED C=CCCOCC(=O)N1CC(O)(CNC(=O)c2ncc[nH]2)C1 1042940014 JUTSDKVZCWBVAI-UHFFFAOYSA-N 308.338 -0.695 30 20 DBED C#Cc1ccc(C(=O)NCC2(O)CN(C(=O)COCC)C2)cn1 1044254919 LUAYSVSNEPZCRT-UHFFFAOYSA-N 317.345 -0.598 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)[C@]2(C)CCC(=O)NC2)C1 1045098564 PLYYHYRYSDLFNP-OAHLLOKOSA-N 323.393 -0.442 30 20 DBED N#CCN1[C@H]2CC[C@H]1CN(C(=O)CN1CCC(=O)NC1=O)CC2 1045875494 YZLFWGJWDMRCMX-RYUDHWBXSA-N 319.365 -0.483 30 20 DBED C#CCCN1CC[C@H](N2CCN(C(=O)c3ncn(C)n3)CC2)C1 1046026293 SBFVFYOYVRAGRU-AWEZNQCLSA-N 316.409 -0.330 30 20 DBED C=CCN1CC[C@@H](N2CCN(C(=O)[C@@H]3CCCNC3=O)CC2)C1 1046037808 ZMGDEUUIFXBAOF-HUUCEWRRSA-N 320.437 -0.083 30 20 DBED C#CCN1C[C@H]2CN(C(=O)[C@@H]3CN4CC5CC4(CO3)C5)C[C@H]2C1 1048944324 SUHGGIORNSPHHN-SYGRHNPNSA-N 315.417 -0.127 30 20 DBED C[C@@H]1[C@@H](NC(=O)[C@H]2COCCO2)CCN1c1ccnc(C#N)n1 1050064522 COMAXPLSBWBXJC-GRYCIOLGSA-N 317.349 -0.153 30 20 DBED C=CCOCC(=O)N1CC[C@H]([C@H](C)NC(=O)Cc2nc[nH]n2)C1 1050306326 WNQIETFYCJKXAO-RYUDHWBXSA-N 321.381 -0.097 30 20 DBED C=CCN1CCOC[C@@H]1CNC(=O)[C@H]1CN2CC3CC2(CO1)C3 1051038240 RJJAHGBRJVBLJH-KRIMKBQASA-N 321.421 -0.147 30 20 DBED C#CCOCCC(=O)N1C[C@H](CNC(=O)CNC(C)=O)[C@@H](C)C1 1052594586 VSAUZQDMFMKXRW-JSGCOSHPSA-N 323.393 -0.627 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)[C@@H]1CCN(C)C(=O)C1)CCO2 1053314850 XAIFIQPXORLAHT-CQSZACIVSA-N 319.405 -0.209 30 20 DBED C=CCN1CC2(C1)CN(C(=O)c1cn(C)c(=O)nc1O)CCO2 1053530821 HBRZUEQZTPSNEE-UHFFFAOYSA-N 320.349 -0.801 30 20 DBED C#CCN1CC2(C1)CN(C(=O)CCc1cn(C)nn1)CCO2 1053552180 NIHNSXHWQLPJSQ-UHFFFAOYSA-N 303.366 -0.706 30 20 DBED C#CCCN1CC2(CC[C@@H](CNC(=O)[C@H]3COC(=O)N3)O2)C1 1053596170 MCIULTAGJWPWFP-NWDGAFQWSA-N 307.350 -0.532 30 20 DBED CC#CCN1CC2(CC[C@H](CNC(=O)c3nnn(C)n3)O2)C1 1053646662 BNBHASBRBIBIEB-LLVKDONJSA-N 304.354 -0.803 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)[C@H]3CCc4cncn4C3)CO2)C1 1053852762 PYQMZFZYRDSLPG-STQMWFEESA-N 315.377 -0.071 30 20 DBED C=CCOCC(=O)N1CCC[C@@](CO)(NC(=O)c2cocn2)C1 1055833212 GLCIUOAZTDNXPS-OAHLLOKOSA-N 323.349 -0.040 30 20 DBED N#Cc1nccc(N2C[C@@H]3C(NC(=O)[C@H]4CCC(=O)N4)[C@H]3C2)n1 1056146066 CTRHWQGZKBXRDJ-LPEHRKFASA-N 312.333 -0.822 30 20 DBED Cn1cncc1CC(=O)NC1[C@@H]2CN(c3cncc(C#N)n3)C[C@@H]12 1056252222 BLDLHUCLBWBOQS-CHWSQXEVSA-N 323.360 -0.125 30 20 DBED CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)c1cc(C#N)c[nH]1 1057058444 RXOIEBGTYDAKRT-NSHDSACASA-N 322.365 -0.138 30 20 DBED C#CCNC(=O)CC(=O)NCCN(CCO)C(=O)CC1CCC1 1057273795 HQBWWXHLGGVLME-UHFFFAOYSA-N 323.393 -0.747 30 20 DBED C=C[C@H](C)[C@H](C)C(=O)NCCN(CCO)C(=O)Cn1nccn1 1057702142 JEJWXMKTEUGCCN-STQMWFEESA-N 323.397 -0.327 30 20 DBED N#Cc1nccc(N2CC[C@H](NC(=O)Cn3ccccc3=O)C2)n1 1058367027 BQKIZUFAKYIJGZ-LBPRGKRZSA-N 324.344 -0.095 30 20 DBED COCCCOCC(=O)NCCN(CCO)C(=O)[C@H](C)C#N 1058657296 VMCQSVZGOQWZBV-GFCCVEGCSA-N 315.370 -0.864 30 20 DBED CN1C[C@@H](C(=O)N2CC[C@H](Nc3cncc(C#N)n3)C2)NC1=O 1059023301 RLAUITHGRFWPHM-ONGXEEELSA-N 315.337 -0.615 30 20 DBED CN1CC[C@H](C(=O)N2CC[C@H](N=c3cc[nH]c(C#N)n3)C2)C1=O 1059031397 BGFLOQWHNGLDPA-QWRGUYRKSA-N 314.349 -0.739 30 20 DBED N#Cc1cncc(NC[C@H]2CCN(C(=O)[C@H]3CCNC3=O)C2)n1 1060952938 LNUJFSMKVAKVHX-PWSUYJOCSA-N 314.349 -0.255 30 20 DBED O=C(C#CC1CC1)NC[C@H]1COCCN1C(=O)Cc1ncc[nH]1 1061571598 DFCMYDKOHOPIGL-ZDUSSCGKSA-N 316.361 -0.291 30 20 DBED C=CCOCC(=O)N1CCCC[C@@H]1CNC(=O)[C@H]1CCNC1=O 1062070004 UYGXEEFRZUTERX-OLZOCXBDSA-N 323.393 -0.178 30 20 DBED Cn1ncc(C(=O)N[C@@H]2[C@H]3C[C@H]2N(c2nccnc2C#N)C3)c1N 1064245792 XASSIASYOXIVFO-XXILOJSOSA-N 324.348 -0.329 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCO[C@@H](CNC(=O)c2cnco2)C1 1065092473 ICQFRISMLKYWGF-XHDPSFHLSA-N 323.349 -0.041 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CN(C(=O)c2csc(O)n2)CCO1 1065487159 HBQIGLHGWUWFQQ-RKDXNWHRSA-N 324.362 -0.034 30 20 DBED Cc1cc(=NC[C@H]2C[C@@H](C)N(C(=O)C(N)=O)C2)c(C#N)c[nH]1 1068369776 ZQOGUTZJCKUVTA-GHMZBOCLSA-N 301.350 -0.182 30 20 DBED C=CCOCC(=O)N1CC2(C[C@@H](NC(=O)[C@@H](C)OC)CO2)C1 1068727566 POZAJTUJPCUKQA-VXGBXAGGSA-N 312.366 -0.290 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)[C@@]2(C)CNC(=O)C2)CC1 1070981472 CLMXFPMFOKGTGJ-MRXNPFEDSA-N 322.409 -0.651 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)c2n[nH]cc2F)CC1 1070997743 WOJWYUTUJXVCKM-UHFFFAOYSA-N 307.329 -0.554 30 20 DBED C=CCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)c2nnc(O)nc2O)C1 1071787543 PIZKJLHTARHDOR-BDAKNGLRSA-N 321.337 -0.174 30 20 DBED C=CCCN1CCC2(C1)CN(C(=O)Cn1cnc(C(N)=O)n1)C2 1072752596 RWZCNOHCCFKJND-UHFFFAOYSA-N 318.381 -0.513 30 20 DBED C[C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1NC(=O)C#CC1CC1 1072773142 OWPPBLWJXDYDEV-DGCLKSJQSA-N 301.350 -0.345 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CCN(C(=O)C(N)=O)CC1(C)C 1073380791 ZWSFEVXSHDLGGK-BMIGLBTASA-N 311.382 -0.458 30 20 DBED Cn1ccc(C(=O)NC[C@@H]2CN(CC#N)CCCO2)cc1=O 1073664774 OQRXQPHEEZGRRR-CYBMUJFWSA-N 304.350 -0.270 30 20 DBED COc1nccc(C(=O)N2CC[C@@H]3OCCN(CC#N)[C@@H]3C2)n1 1074295409 YJRCHIFBNZQLLR-OLZOCXBDSA-N 317.349 -0.076 30 20 DBED CC(C)N(C)CC(=O)N1CCC(O)(CNC(=O)[C@@H](C)C#N)CC1 1074617781 DTOKMQBHEJXGIJ-ZDUSSCGKSA-N 324.425 -0.044 30 20 DBED C#CCOCCC(=O)N[C@@H](C)CCNC(=O)c1nccnc1N 1075976409 AZVNFRODZZJUJX-NSHDSACASA-N 319.365 -0.277 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)C1CC(OC)C1 1076217729 GFOVXKPYONANSZ-HIFPTAJRSA-N 323.393 -0.438 30 20 DBED C[C@@H](CCNC(=O)[C@H](C)NC(N)=O)NC(=O)CSCC#N 1076266062 DXGIDQMTYYAZAR-IUCAKERBSA-N 315.399 -0.689 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)CN2C(=O)CC(C)(C)C2=O)C1 1077002798 HTZDCCKKHRULRT-VXGBXAGGSA-N 323.393 -0.491 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)c2cn(C3CCC3)nn2)C1 1077007728 ZMBNVYOTEFLRJI-TZMCWYRMSA-N 303.366 -0.199 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2ccc3c(c2)NC(=O)C3)C1 1077045169 ZHOQFAVYEFNAAL-CHWSQXEVSA-N 300.318 -0.520 30 20 DBED C=CCCOCC(=O)NCC[C@H](C)NC(=O)[C@@H]1CNC(=O)N1 1077064110 ROGXIQQLVSVDNV-QWRGUYRKSA-N 312.370 -0.729 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2c(O)nnc(CC)c2CC)C1 1077081724 HKQQWOFBIDMHLG-CHWSQXEVSA-N 318.377 -0.285 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2coc3c2C(=O)NCCC3)C1 1077422542 CHOHPOHMAGKMNG-VXGBXAGGSA-N 317.345 -0.636 30 20 DBED C=C[C@@](C)(O)CC(=O)N(CC)C1CN(C(=O)[C@H]2CCNC2=O)C1 1079690119 PGSMWWUTUJVMQP-BLLLJJGKSA-N 323.393 -0.491 30 20 DBED CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)c2ccc(C(N)=O)[nH]2)C1 1080416682 PYTGUQSTLRVZNS-VIFPVBQESA-N 317.349 -0.054 30 20 DBED C=CCCC(=O)NC1(CO)CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1 1080767902 AGRWINYBXOCLRF-NEPJUHHUSA-N 323.393 -0.456 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)CN2CCCC2)C[C@H]1O 1081444902 OKQLSSGXBOYDBZ-LSDHHAIUSA-N 321.421 -0.179 30 20 DBED C#CCCCC(=O)N1C[C@H](CNC(=O)C(C)(C)C(N)=O)[C@@H](O)C1 1081558588 LQNIICHEPKPXTF-RYUDHWBXSA-N 323.393 -0.763 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CCCCN1C(=O)CC(=O)NC 1082027379 FOXXOGQEHHTHCP-ZDUSSCGKSA-N 323.393 -0.340 30 20 DBED C=C(C)CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CNC(=O)N1 1083179787 JIPUIZGYZIHYSY-FRRDWIJNSA-N 308.382 -0.454 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)c2cn(CCC=C)nn2)C1 1083849296 XOMNVGUPIKVDHF-OCCSQVGLSA-N 303.366 -0.348 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2ccc(-n3ccnc3)cn2)C1 1083946513 OYGYBURFXINVGO-KGLIPLIRSA-N 312.333 -0.434 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCCCN2C(=O)CCC)C1 1084085068 KMXOBJCTBQOVKB-KFWWJZLASA-N 321.421 -0.038 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CCN(Cc3nnnn3C)C[C@H]2C1 1087910916 DCQLNMYLOFTZQF-UTUOFQBUSA-N 303.370 -0.350 30 20 DBED CC(=O)NCC(=O)N[C@H]1CC[C@@H](C)N(c2ccnc(C#N)n2)C1 1089115690 JYQJFNKFJDQBLN-PWSUYJOCSA-N 316.365 -0.042 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CN(c2ncnc3c2CCC3)C[C@H]1O 1090391257 GSHHJVFLIPRZOE-OASPWFOLSA-N 301.350 -0.209 30 20 DBED C=CCN1CC[C@@H](NC(=O)c2cnc3c(c2)nnn3C)[C@H](O)C1 1090442265 RMSMCZKECNAAJX-DGCLKSJQSA-N 316.365 -0.286 30 20 DBED C=CCCN1CC[C@@H](NC(=O)Cn2nc(C)ccc2=O)[C@@H](O)C1 1090750125 ZWKQYRVGVDQOAB-KGLIPLIRSA-N 320.393 -0.321 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)c2ccc(C(N)=O)cn2)[C@H](O)C1 1090845340 YPDMQGYTGQEDTP-GXTWGEPZSA-N 318.377 -0.078 30 20 DBED CO[C@@H]1CN(c2snc(C)c2C#N)C[C@H]1NC(=O)CC(N)=O 1090877974 ZCAKWMOVEDZVAQ-NXEZZACHSA-N 323.378 -0.482 30 20 DBED C#CCNC(=O)CC(=O)N1CCN(c2nccc(C)n2)CC1 1093148668 MEHKGPFDZQPICD-UHFFFAOYSA-N 301.350 -0.427 30 20 DBED N#Cc1nccnc1N1C[C@H]2[C@H](NC(=O)CCCC(N)=O)[C@H]2C1 1093277766 GDYYZCHGJWVEPG-MSRIBSCDSA-N 314.349 -0.445 30 20 DBED CS(=O)(=O)C1(C(=O)NCCN=c2cc[nH]c(C#N)n2)CCC1 1093827124 QEKLMULJHVJHJB-UHFFFAOYSA-N 323.378 -0.734 30 20 DBED CO[C@@H](C(=O)NCCNc1cnc(C#N)cn1)c1cnn(C)c1 1094012122 YCHBXHSDZTXLBB-CYBMUJFWSA-N 315.337 -0.002 30 20 DBED Cc1ncn(C)c1C(=O)NCc1cn(C2CN(CC#N)C2)nn1 1094298605 SZLXXAGUFVITCC-UHFFFAOYSA-N 314.353 -0.370 30 20 DBED N#Cc1cnc(NCCCNC(=O)C2CC(=O)NC(=O)C2)cn1 1094496139 ZPAYXOGMGMMWLK-UHFFFAOYSA-N 316.321 -0.681 30 20 DBED C#CCN1CCN(C(=O)[C@@H](F)C(C)C)[C@@H]2CS(=O)(=O)C[C@@H]21 1094653737 UDJGVMSHZDMRMH-XQQFMLRXSA-N 316.398 -0.077 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)[C@@]3(C)CCNC3=O)CC2=O)C1 1094783639 UFNGVIOFQDNTFN-BZNIZROVSA-N 320.393 -0.900 30 20 DBED CN(CCCNC(=O)[C@]1(C)CCC(=O)N1)c1ccnc(C#N)n1 1095731068 JZOOLNBHZFGERD-HNNXBMFYSA-N 316.365 -0.041 30 20 DBED CNC(=O)CC(=O)NC[C@H](Nc1nccnc1C#N)C1CC1 1096652203 UYCUDCQIZVULHX-NSHDSACASA-N 302.338 -0.209 30 20 DBED N#Cc1cncc(N[C@H](CNC(=O)Cn2cncn2)C2CC2)n1 1096676778 UCXHNAXMCIXNKM-GFCCVEGCSA-N 312.337 -0.053 30 20 DBED COCC(=O)N1C[C@H]2CC[C@H]1[C@@H]1CN(CC(=O)NCC#N)C[C@H]21 1099380448 SKVGQRGFZLIOJY-SYQHCUMBSA-N 320.393 -0.559 30 20 DBED C[C@@H](CCNC(=O)[C@H]1CCNC1=O)N=c1cc[nH]c(C#N)n1 1099617269 SPGITICTXVGVAC-VHSXEESVSA-N 302.338 -0.787 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CCc2ccnn2C)[C@@H](O)C1 1099861168 OELRRWITEDRPFX-CABCVRRESA-N 304.394 -0.073 30 20 DBED CC(=O)NC1(C(=O)N[C@@H]2CCN(CC#N)C[C@H]2O)CCCCC1 1099894339 JFROFYWGKJPDKP-ZIAGYGMSSA-N 322.409 -0.100 30 20 DBED COC(=O)[C@@H]1C[C@H]1C(=O)NCCN(C)c1ccnc(C#N)n1 1099961595 ZIKHOGASHYPTDC-NXEZZACHSA-N 303.322 -0.290 30 20 DBED C=CCN1CC[C@@H](NC(=O)C(=O)Nc2cc(C)on2)[C@H](O)C1 1100112067 PNHZHCKQAWKUOD-GHMZBOCLSA-N 308.338 -0.341 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1CC(NCCOCCO)C1 1100285213 BTFKCUOQXDVATO-SSDMNJCBSA-N 300.399 -0.193 30 20 DBED COCC#CCNC1CC(CNC(=O)c2cn(C)c(O)n2)C1 1100639153 SGJUTBBJPXECBN-UHFFFAOYSA-N 306.366 -0.127 30 20 DBED C[C@@H](CNC(=O)c1cn(C)nn1)CNc1nccnc1C#N 1103927257 CYIXBBYRVAWODH-SECBINFHSA-N 300.326 -0.045 30 20 DBED C#CCNCc1cn(C2CN(C(=O)CCOCC#C)C2)nn1 1105240665 XKMQPAMLRKNJDH-UHFFFAOYSA-N 301.350 -0.576 30 20 DBED CN(CCN(C)c1nccnc1C#N)C(=O)Cc1nc[nH]n1 1105470124 JTYCOEYYISXOAS-UHFFFAOYSA-N 300.326 -0.396 30 20 DBED CCC(=O)NCC(=O)NC[C@H](O)CNc1ccc(C#N)nc1 1105771778 SOAXDKRPCKKINF-GFCCVEGCSA-N 305.338 -0.632 30 20 DBED Cc1cccnc1C(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1 1105784391 HKTLFLZOLVQRDX-NSHDSACASA-N 312.333 -0.324 30 20 DBED CCc1nc(C(=O)NC[C@@H](O)CN=c2cc[nH]c(C#N)n2)co1 1105800312 MBNKCOLTIVWXQN-VIFPVBQESA-N 316.321 -0.477 30 20 DBED Cn1nccc1CC(=O)NC[C@@H](O)CNc1ccc(C#N)cn1 1105806209 SDBFBZMDUPRKMV-ZDUSSCGKSA-N 314.349 -0.182 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H](O)CNc1cc(C)nc(CO)n1 1105970527 JACBZAYZXKOKRX-NWDGAFQWSA-N 322.365 -0.795 30 20 DBED CN(C)[C@@H](C(=O)NC[C@H](O)CNc1nccnc1C#N)C1CC1 1105995668 VKJGEPLSPPWQET-DGCLKSJQSA-N 318.381 -0.423 30 20 DBED C[C@@H](CC(N)=O)C(=O)NC[C@@H](O)CNc1ccc(C#N)cn1 1106057580 CSCPKUUVYIREQA-ONGXEEELSA-N 305.338 -0.646 30 20 DBED C[C@@H]1CC[C@H](C(=O)NC[C@@H](O)CNc2nccnc2C#N)O1 1106110516 SWPLVHOFWLLEHE-JFGNBEQYSA-N 305.338 -0.195 30 20 DBED C#CCNC[C@@H]1CN(C(=O)CNC(=O)C2CCOCC2)C[C@H]1C 1106779137 ZITORAQIMJSKFK-UKRRQHHQSA-N 321.421 -0.154 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)COCCN(C)C 1106801305 IDFIFFBYSPSXBY-UHFFFAOYSA-N 320.397 -0.391 30 20 DBED C[C@@H]1CN(C(=O)Cc2ccc[nH]2)C[C@H]1CNCC(=O)NCC#N 1107009306 PFZQTNHDWRWFNY-CHWSQXEVSA-N 317.393 -0.119 30 20 DBED C=CCNC(=O)CN1CCO[C@](C)(CNC(=O)COCC)C1 1107713523 RDJNFRCFJFBHQY-OAHLLOKOSA-N 313.398 -0.468 30 20 DBED C=CCN1CCO[C@@](C)(CNC(=O)COCc2ncnn2C)C1 1108313848 HQTOLBQUHYHNNV-HNNXBMFYSA-N 323.397 -0.275 30 20 DBED CC(C)(C)C(=O)NC[C@@]1(C)CN(CC(=O)NCC#N)CCO1 1108356348 BOXROTLIBKNVSW-HNNXBMFYSA-N 310.398 -0.121 30 20 DBED C=CCCC(=O)N[C@H]1CC(=O)N(C2CN([C@H](C)C(=O)NC)C2)C1 1108520301 SAAPKRDAARKSFA-NEPJUHHUSA-N 322.409 -0.512 30 20 DBED CN(CCCN=c1cc[nH]cc1C#N)C(=O)[C@H]1C[C@H]1C(N)=O 1109624596 SUTRNJCXJMFZCZ-NEPJUHHUSA-N 301.350 -0.243 30 20 DBED CC(=O)NCC(=O)N[C@@H]1[C@H]2C[C@H]1N(c1nc(C)cc(C#N)n1)C2 1109670856 NABYKJIHPYYMPB-ZKYQVNSYSA-N 314.349 -0.514 30 20 DBED CC(=O)N[C@H](CCC(N)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC#N 1109849516 VNZZEQBAQMXZEQ-NDBYEHHHSA-N 321.381 -0.998 30 20 DBED C[C@]1(NC(=O)Cn2ncnn2)CCN(c2ccnc(C#N)n2)C1 1110786423 UGAKHDJFXRHSAE-ZDUSSCGKSA-N 313.325 -0.880 30 20 DBED CNC(=O)CC(=O)NCC1(N=c2cc[nH]cc2C#N)CCC1 1111786243 GNWCUYPPCBQYLZ-UHFFFAOYSA-N 301.350 -0.038 30 20 DBED C[C@H](NC(=O)CS(C)(=O)=O)[C@@H](C)Nc1cncc(C#N)n1 1112926925 WAAWVLBLESYYPP-BDAKNGLRSA-N 311.367 -0.302 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)CN(C)C2CCC2)CC1 1112969546 MRJORHJWELFHBT-AWEZNQCLSA-N 320.437 -0.247 30 20 DBED C[C@H](N=c1cc[nH]c(C#N)n1)[C@@H](C)NC(=O)CCNC(N)=O 1113039129 PRISINOSDYCESD-DTWKUNHWSA-N 305.342 -0.866 30 20 DBED COc1nc(C(=O)N2CCN(CC(=O)NCC#N)CC2)co1 1113158695 HUNCITKWYSHPJM-UHFFFAOYSA-N 307.310 -0.919 30 20 DBED C[C@H](NC(=O)C1CS(=O)(=O)C1)[C@@H](C)Nc1cnc(C#N)cn1 1113183278 OCCJVQUIODXTKF-BDAKNGLRSA-N 323.378 -0.302 30 20 DBED C[C@@H](CNC(=O)CN1CCCC1=O)N(C)c1cncc(C#N)n1 1113489308 VSFZIZVPAGWSQJ-NSHDSACASA-N 316.365 -0.088 30 20 DBED COCC#CCN1C[C@@H]2C(NC(=O)c3cc[n+]([O-])cc3)[C@H]2C1 1113806186 LQSQGGAJHHZCQB-KBPBESRZSA-N 301.346 -0.370 30 20 DBED CCCNC(=O)CN1C[C@@H]2C(NC(=O)CSCC#N)[C@H]2C1 1113890696 FJMZFZUFCPRVEW-QWRGUYRKSA-N 310.423 -0.184 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3ncccc3C)[C@H]2C1 1114103067 FGTRBSJJNNXJON-STQMWFEESA-N 312.373 -0.201 30 20 DBED C#CCCN1C[C@H]2C(NC(=O)C(C)(C)NS(C)(=O)=O)[C@@H]2C1 1114941838 GZLQOGFFMRNSMP-GHMZBOCLSA-N 313.423 -0.616 30 20 DBED C=CCCOCC(=O)NC1[C@H]2CN(CC(=O)NCC#N)C[C@H]12 1115324406 PYSSAZNCNGAGPV-RYUDHWBXSA-N 306.366 -0.735 30 20 DBED C[C@H](CN(C)C(=O)Cn1cnnn1)Nc1ccc(C#N)cn1 1115605603 IBHTYHMGPSHKEI-SNVBAGLBSA-N 300.326 -0.101 30 20 DBED C[C@@H]1CCCN1C(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1117318739 ZYGODRSDAMUIPE-JBEXSADBSA-N 320.349 -0.360 30 20 DBED N#CCNC(=O)CNC(=O)NCc1nncn1-c1ccccc1 1117419085 JXGKQZXWCILRFZ-UHFFFAOYSA-N 313.321 -0.294 30 20 DBED N#C[C@]1(F)CCN(C(=O)C(=O)NCCCO[C@@H]2CCOC2)C1 1117534658 VHUZKLWRPGDSHQ-BXUZGUMPSA-N 313.329 -0.238 30 20 DBED CCOC(=O)Cn1cnc(NC(=O)C(=O)N[C@H](CC)CC#N)n1 1118105907 LXYZFUGWLXNYLG-SECBINFHSA-N 322.325 -0.412 30 20 DBED N#Cc1c[nH]ccc1=N[C@H](CO)CNC(=O)C[C@@H]1CCCO1 1121099679 KWPNCMKGACNEQI-STQMWFEESA-N 304.350 -0.167 30 20 DBED Cc1cc(C#N)nc(N[C@H](CO)CNC(=O)c2cc[nH]n2)n1 1121143061 JBPVESLHPKGQIF-JTQLQIEISA-N 301.310 -0.417 30 20 DBED C=CCn1c(N2CC(=O)N(C)C[C@@H]2C)nnc1[C@@](C)(O)COC 1121577641 WGZPGXZGSOGLDN-NHYWBVRUSA-N 323.397 -0.015 30 20 DBED C#CCNC1CC2(C1)CC(NC(=O)C[C@H](NC(C)=O)C(N)=O)C2 1121872601 DRFUNYBGAWDTAT-KSISSFPLSA-N 320.393 -0.983 30 20 DBED COCCCOCC(=O)NC[C@H](CO)Nc1nccnc1C#N 1122052050 DHWQSSOKFQRLFM-LLVKDONJSA-N 323.353 -0.710 30 20 DBED CCO[C@@H](C)C(=O)N(C)C[C@H](O)CN=c1cc[nH]c(C#N)n1 1124103851 HBFQWWJBEWSNGA-WDEREUQCSA-N 307.354 -0.574 30 20 DBED CCN(CC)CC(=O)N(C)C[C@@H](O)CNc1cncc(C#N)n1 1124365222 WYZMBHKAZXAYKN-ZDUSSCGKSA-N 320.397 -0.079 30 20 DBED COC[C@H](C)C(=O)N(C)C[C@H](O)CN(C)c1ccnc(C#N)n1 1124989645 YVGNJIOBAXTMNP-NWDGAFQWSA-N 321.381 -0.114 30 20 DBED CN(C[C@@H](O)CN(C)c1ccc(C#N)nn1)C(=O)c1cnon1 1125140042 UARJXRCZZNSQQP-JTQLQIEISA-N 317.309 -0.699 30 20 DBED C#CCOCCC(=O)NCCNCc1c([N+](=O)[O-])ncn1C 1127027766 YIWQCBPQNPYZSX-UHFFFAOYSA-N 309.326 -0.426 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1cnn(C2CCC2)c1 1127235431 QXUQWGMYONJWIB-UHFFFAOYSA-N 304.354 -0.433 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1cc(C2CC2)n(C)n1 1128869291 DEFMWSFYZLBTNF-UHFFFAOYSA-N 305.382 -0.081 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(CCCO)C[C@@H]1n1ccnn1 1128989769 UWTWIDFCYFEXFY-MJBXVCDLSA-N 321.381 -0.960 30 20 DBED CCN(CC)CC(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1 1129333202 LNYYCUJPIQDMGQ-OLZOCXBDSA-N 305.386 -0.515 30 20 DBED CC(C)OCCC(=O)N1C[C@H](n2ccnn2)[C@H](NCC#N)C1 1129637881 LGVAYUZBPZJFHO-OLZOCXBDSA-N 306.370 -0.042 30 20 DBED CCC(=O)N1C[C@H]2C[C@@H]3CN(CC(=O)NCC#N)C[C@]2(C1)O3 1131164701 SBCGJPGARMKLTJ-LALPHHSUSA-N 306.366 -0.662 30 20 DBED C=CCCC(=O)N1CCC(=O)NCCN([C@H](C)C(N)=O)CC1 1131337032 UARALAVCFBPSGW-GFCCVEGCSA-N 310.398 -0.523 30 20 DBED C[C@@H]1CC[C@@H](NC(=O)c2cncn2C)CN1CC(=O)NCC#N 1132156958 KDRWIZLXXONOMS-VXGBXAGGSA-N 318.381 -0.357 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@H]1CCc2cnn(C)c2C1 1132896295 XKFGSKLTMABCOA-LBPRGKRZSA-N 319.409 -0.467 30 20 DBED C=CCNC(=O)CNCCNC(=O)Cc1cn(C)nc1Cl 1133791552 PZVFJXFWQJUHEJ-UHFFFAOYSA-N 313.789 -0.376 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)CCc1ncc[nH]1 1134228960 RJWDDUOVRUCETB-STQMWFEESA-N 319.409 -0.035 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)c1cnc(O)n1C 1135188649 NOKAIBSHFQXILX-MNOVXSKESA-N 321.381 -0.638 30 20 DBED COCC#CCN1CCC2(C1)CN(C(=O)CNC(=O)C1CC1)C2 1147071812 NKJGFAITQYRZPM-UHFFFAOYSA-N 319.405 -0.303 30 20 DBED C#CCO[C@H](C)C(=O)N1CC2(CCN(C[C@@H](O)COC)C2)C1 1147530263 HVNSRIKOARSRAD-ZIAGYGMSSA-N 310.394 -0.434 30 20 DBED C=CCOCCN1CCCO[C@@H](CNC(=O)Cn2cnnn2)C1 1149145128 XIVSIMQMDBUCCZ-ZDUSSCGKSA-N 324.385 -0.917 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1cn2ccccc2n1 1149892496 NOXNQECGKHMTAX-UHFFFAOYSA-N 301.350 -0.044 30 20 DBED CC#CCN1CCCO[C@H](CNC(=O)C[C@@H]2CC(=O)NC2=O)C1 1150830158 CWHAVJSNGVSQTA-CHWSQXEVSA-N 321.377 -0.730 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)c2ccnc(C)n2)C1=O 1151324935 QMWZLZBPFYQJGW-ZDUSSCGKSA-N 303.366 -0.109 30 20 DBED C#CCOCCC(=O)NCCCNC[C@H]1CCc2ncnn21 1157846265 PXBSWOKJKAIACH-CYBMUJFWSA-N 305.382 -0.099 30 20 DBED C#CCN1CC=C(CCNC(=O)CN2CC(=O)NC2=O)CC1 1161485728 TZFDZRKIJCZZTI-UHFFFAOYSA-N 304.350 -0.690 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1snnc1CC 1162006438 IKDSIWJMTJEPQS-UHFFFAOYSA-N 309.395 -0.441 30 20 DBED N#CCNC(=O)CNCCCNC(=O)c1nccn2ccnc12 1166899189 KNJYBOAUKBDWIE-UHFFFAOYSA-N 315.337 -0.921 30 20 DBED C=C(C)CN(CC)C(=O)CNCCCNC(=O)Cc1nc[nH]n1 1170717174 HVNSGSAHIUJFRV-UHFFFAOYSA-N 322.413 -0.132 30 20 DBED C#CCNC(=O)CNCCCC[C@H](C)NC(=O)CCN(C)C 1175049891 ZCUWSANGVYZLHE-AWEZNQCLSA-N 310.442 -0.048 30 20 DBED C#CCNCCCC[C@@H](C)NC(=O)CS(=O)(=O)N(C)C 1176383245 BTDVBVUSCYBHRJ-GFCCVEGCSA-N 303.428 -0.224 30 20 DBED CC(=O)NC(C)(C)C(=O)N1CC[C@H]2OCCN(CC#N)[C@@H]2C1 1177106820 IHKDWXMXGGKJTE-CHWSQXEVSA-N 308.382 -0.274 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H]2CC[C@H]1[C@@H](CNCCCO)C2 1177711125 KUDSWFNYNTWDQE-ZNMIVQPWSA-N 321.421 -0.275 30 20 DBED C=CCOCC(=O)N1CC[C@H](NCCS(C)(=O)=O)[C@@H]1C 1178339119 VQEWLAHFENZWGG-RYUDHWBXSA-N 304.412 -0.187 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](NC[C@@H]2CCOC2)[C@@H]1C 1178519736 HRPGWRYRZFYKDA-IHRRRGAJSA-N 307.394 -0.259 30 20 DBED CCCCS(=O)(=O)NCC(=O)N1CC[C@H](NCC#N)[C@@H]1C 1180012639 RDFHYFNSVTWXDB-RYUDHWBXSA-N 316.427 -0.192 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](NCCCN2C(=O)CNC2=O)C1 1181660935 CNLFIPSXFLSKNP-GHMZBOCLSA-N 307.354 -0.722 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 1183229853 QNHOPZXOQFZZHP-CYBMUJFWSA-N 308.426 -0.037 30 20 DBED C#CCNC[C@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C[C@@H]1C 1184422569 IHMJTCWKLSGWBJ-NWDGAFQWSA-N 318.381 -0.916 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)C[C@@H]2CCC(=O)N2)C1 1186258935 HNQJFDMJYVMZHM-NWDGAFQWSA-N 308.382 -0.852 30 20 DBED N#CCNC[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2)CC12CCOCC2 1186301454 VKEMVBHVVJKLIO-CHWSQXEVSA-N 320.393 -0.367 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(Cc2nc(C3CC3)n[nH]2)C[C@H]1O 1191770448 DMIXFUQQDCSHAL-VXGBXAGGSA-N 321.381 -0.454 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@@H]1CCN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1191858603 BOCDJFMTIDPFCK-XPABHHOTSA-N 319.405 -0.451 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(Cc2nc(COC)no2)C[C@H]1O 1192503898 QWRDAQPXHWJJCQ-VXGBXAGGSA-N 322.365 -0.319 30 20 DBED C=CCC(CC=C)C(=O)N[C@@H]1CN(C[C@@H](O)COC)C[C@H]1O 1193232369 XXZHIJSRJFIJFD-RBSFLKMASA-N 312.410 -0.077 30 20 DBED CC#CCN(C)[C@H]1CCN(C(=O)CN2CC(=O)N(C)C2=O)C1 1193442920 RXBMPXSXFIGIPL-LBPRGKRZSA-N 306.366 -0.564 30 20 DBED C#CCCN(C)[C@@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)C1 1193452025 ZICVCZLQDTURMY-LLVKDONJSA-N 314.349 -0.413 30 20 DBED Cc1nnsc1C(=O)N1CCCN(CC(=O)NCC#N)CC1 1194779385 XDIJWIUTROLPLM-UHFFFAOYSA-N 322.394 -0.366 30 20 DBED C=CCCCN1CCCN(C(=O)CN2CCNC(=O)C2)CC1 1196724329 GYVBLARQPMJIDN-UHFFFAOYSA-N 308.426 -0.081 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H](c2cccnc2)N(C)C)C1 1199162863 AOPWGOCPZNLLDD-BZUAXINKSA-N 316.405 -0.131 30 20 DBED C#CCNC[C@@H]1CN(C(=O)[C@H]2C[C@@H](C)CC(=O)N2)CCCO1 1200528743 NLSPVOJJUIIYPK-MGPQQGTHSA-N 307.394 -0.259 30 20 DBED C#CCNC[C@H]1CN(C(=O)c2cn(C)c(=O)cn2)CCCO1 1201022174 GVNXOSMXIJRSOW-LBPRGKRZSA-N 304.350 -0.766 30 20 DBED C#CCNC[C@H]1CN(C(=O)[C@@H]2CCCCC(=O)N2)CCCO1 1201388817 HFHPZTKBXRFDRX-KBPBESRZSA-N 307.394 -0.115 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCCO[C@H](CNCC(N)=O)C1 1201438884 QLZXJLHUJRVXTM-UPJWGTAASA-N 311.382 -0.730 30 20 DBED CCO[C@H]1C[C@@H]1C(=O)N1CCC(CNCC(=O)NCC#N)CC1 1204615164 XNTQWROKMRLLTH-KBPBESRZSA-N 322.409 -0.121 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)COC(C)C)[C@H](C)C1 1206450485 WSJJWTXJJWATLD-HZSPNIEDSA-N 309.410 -0.014 30 20 DBED COCC#CCN1C[C@@H](NC(=O)[C@H]2CCCNC2=O)[C@H](C)C1 1207628299 HNKNCUKTIQRCJR-HZSPNIEDSA-N 307.394 -0.401 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CCCN(C(=O)c2nnn(C)n2)C1 1209062596 XNFJWDCOAKVJRE-WDEREUQCSA-N 321.385 -0.905 30 20 DBED C#CCCN1C[C@@H](NC(=O)C(C)(C)NS(C)(=O)=O)[C@H](C)C1 1209283924 SIAWJUIJAROJAZ-VXGBXAGGSA-N 315.439 -0.226 30 20 DBED C#CCCN[C@H]1CCCN(C(=O)C(C)(C)NS(C)(=O)=O)C1 1210019273 XLWRXRGLXZARGV-LBPRGKRZSA-N 315.439 -0.082 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)C#CC(C)C)[C@H](OC)C1 1212231054 JPDCDDPOHNHPPC-ZIAGYGMSSA-N 307.394 -0.237 30 20 DBED CC#CCN[C@@H]1CN(C(=O)CCCn2c(O)nnc2O)C[C@H]1C 1215012522 HRWHGJNIGRUPBP-VXGBXAGGSA-N 321.381 -0.071 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)Cn2ccc(C)n2)C[C@H]1C 1215579376 MKHAVPBKUOTSAX-TZMCWYRMSA-N 317.393 -0.623 30 20 DBED COCCCCN1C[C@H](O)[C@H](NC(=O)CSCC#N)C1 1219218664 VBPVAOASJPBGPA-NEPJUHHUSA-N 301.412 -0.169 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(Cc2cnn(CC)n2)C[C@@H]1O 1219361703 ADOCAQSFVKKZPA-OLZOCXBDSA-N 309.370 -0.838 30 20 DBED C#CCCCCC(=O)N[C@@H]1CN([C@H]2CCCN(C)C2=O)C[C@@H]1O 1219482143 MYKAABGLPCOVHW-ILXRZTDVSA-N 321.421 -0.038 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(Cc2cn(CC)nn2)C[C@@H]1O 1221139889 RTUDFPRSMLZARJ-KGLIPLIRSA-N 323.397 -0.448 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2ccnn2C)C[C@@H]1O 1221143404 CTNZRMZHDJQTPA-BNOWGMLFSA-N 308.382 -0.328 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)CC[C@]2(C)CCC(=O)N2)C1 1221204989 VCZKBCAJTWRRHR-DVOMOZLQSA-N 307.394 -0.380 30 20 DBED COCC#CCN[C@H]1CCCN(C(=O)[C@@H]2CCCN2C(N)=O)C1 1222103982 DCUCQPMUNCWUPO-KBPBESRZSA-N 322.409 -0.240 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C1=COCCO1 1224593572 AUNNERMCGJWODN-VXGBXAGGSA-N 322.365 -0.469 30 20 DBED C[C@H](C#N)C(=O)NC1CCN(CCNS(C)(=O)=O)CC1 1226639762 GGUINNASMGZCHB-SNVBAGLBSA-N 302.400 -0.724 30 20 DBED CC(=O)Nc1cc(S(=O)(=O)NCC(=O)NCC#N)ccc1C 1257431847 KEZCMYHQPWZSKE-UHFFFAOYSA-N 324.362 -0.129 30 20 DBED CN(CCCSCC#N)CC(=O)N[C@@H]1CCS(=O)(=O)C1 1319375586 IYMZGUFXZUNECD-LLVKDONJSA-N 319.452 -0.132 30 20 DBED C=CCNC(=O)CNC(=O)CS[C@@H]1CCS(=O)(=O)C1 1319985617 QJJFUQCBKHPPOE-SECBINFHSA-N 306.409 -0.675 30 20 DBED Cc1cc(NC(=O)C(=O)N2C[C@H]3C[C@@]3(CO)C2)n(CCC#N)n1 1320678982 OOSFUAGXPXZBIM-ABAIWWIYSA-N 317.349 -0.116 30 20 DBED Cn1c(=O)c2cc(C(=O)N(CC#N)CC#N)n(C)c2n(C)c1=O 1321080883 DNVCKMDUNUFHCB-UHFFFAOYSA-N 314.305 -0.935 30 20 DBED COC[C@@](C)(C#N)NC(=O)c1cc(S(N)(=O)=O)cn1C 1321985280 VPCQPIVAFLQDKU-LLVKDONJSA-N 300.340 -0.669 30 20 DBED COc1ccc(NC(=O)C(=O)NCCn2cnc(C#N)n2)cn1 1323044448 BIRVFTGEGPUYDM-UHFFFAOYSA-N 315.293 -0.692 30 20 DBED Cc1cnccc1CCNC(=O)C(=O)N1CCO[C@@H](C#N)C1 1323089371 VTCKLUOSWGNEEB-ZDUSSCGKSA-N 302.334 -0.200 30 20 DBED CS(=O)(=O)Nc1cccc(CC(=O)NCC(=O)NCC#N)c1 1323227434 VREDKYJIKZGWIO-UHFFFAOYSA-N 324.362 -0.643 30 20 DBED C[C@H](NC(=O)C(=O)NCC1(CC#N)CC1)[C@H]1CN(C)CCO1 1323863355 LVIJOEWHLVPRLZ-NWDGAFQWSA-N 308.382 -0.368 30 20 DBED C#CCOCCNC(=O)C(=O)N1CC2(CCNCC2)C[C@@H]1C 1325829727 FSQPFRRAIHQHFD-ZDUSSCGKSA-N 307.394 -0.257 30 20 DBED C#CC1CCN(C(=O)C(=O)N2CCOC[C@H]2C[C@@H](C)O)CC1 1326228214 VJZLZQGYZZFAEH-TZMCWYRMSA-N 308.378 -0.144 30 20 DBED NS(=O)(=O)c1ccc(C=NN[C@@H]2CCS(=O)(=O)C2)cc1 1327588457 WEXIZCITQNANNS-SNVBAGLBSA-N 317.392 -0.555 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CCC[C@H](OC)C2)nn1 1332042337 DONHEHWRANFSAV-LBPRGKRZSA-N 307.354 -0.282 30 20 DBED C[C@H]1CCOCCN1C(=O)C(=O)N1CCN(CCC#N)CC1 1336392426 BUFKUFWUNHOYKV-ZDUSSCGKSA-N 308.382 -0.318 30 20 DBED C#CCCCNC(=O)C(=O)N(C)[C@H](C)CS(=O)(=O)CC 1342391966 DGYOLVMTEXUGMJ-LLVKDONJSA-N 302.396 -0.202 30 20 DBED C#CCN1CCN(C(=O)CN[C@H]2CCC[C@@H]2C(=O)OC)CC1 1346243668 JWMGIIRTNITLDN-KBPBESRZSA-N 307.394 -0.305 30 20 DBED N#CCCN1CCN(C(=O)C(=O)N2CCC[C@H](C#N)C2)CC1 1356344167 IVFPKHHRKYOVLX-CYBMUJFWSA-N 303.366 -0.194 30 20 DBED C[C@@H](C(=O)Nc1nc(CC(N)=O)cs1)n1cnc(C#N)n1 1362130924 BDXFQZFQHIBYPQ-LURJTMIESA-N 305.323 -0.166 30 20 DBED C[C@H](CN(C)C(=O)Cn1cncn1)NC(=O)c1cc(C#N)c[nH]1 1382240726 CKILVNFOUVCRIB-SNVBAGLBSA-N 315.337 -0.245 30 20 DBED CC(=O)NCC(=O)N[C@H]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 1385909591 YXSRVERVJDCZSN-XYPYZODXSA-N 303.322 -0.601 30 20 DBED C[C@H](CNCc1ccc(C#N)cc1F)NC(=O)Cn1cnnn1 1392461115 SIQNGCACXOSXRA-SNVBAGLBSA-N 317.328 -0.022 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]1CNC(=O)COCc1nncn1C 1400484960 NYOMCPRQJCKBLK-GHMZBOCLSA-N 320.353 -0.792 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CN(C)C(=O)Cc1cnn(C)c1 1405590191 NXJNNSIRXURTNR-JQWIXIFHSA-N 307.354 -0.942 30 20 DBED Cc1cc(C)n(CC(=O)NC[C@H](C)NC(=O)[C@H](C)C#N)c(=O)n1 1408308755 VMJDWPANOWACFN-KOLCDFICSA-N 319.365 -0.359 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1cncnc1C1CC1 1410142444 HFVYWXARIQOPCO-MWLCHTKSSA-N 317.349 -0.279 30 20 DBED C=C(Cl)CNC1CC(N(C)C(=O)CS(=O)(=O)NC)C1 1411252002 GFNIHBUPZUEHHV-UHFFFAOYSA-N 309.819 -0.133 30 20 DBED Cc1c(C(=O)NC[C@@H](C)NC(=O)c2ccc(C#N)[nH]2)nnn1C 1415134492 UNCNGPAYYSXJDR-MRVPVSSYSA-N 315.337 -0.128 30 20 DBED C[C@H](CCNC(=O)Cc1nc[nH]n1)NC(=O)c1cc(C#N)c[nH]1 1415430637 UTQVGFHFVNEVGY-SECBINFHSA-N 315.337 -0.128 30 20 DBED Cc1[nH]c(C#N)cc1C(=O)N1CCC(O)(c2nn[nH]n2)CC1 1417726258 XUFLUWUFJQCWTN-UHFFFAOYSA-N 301.310 -0.168 30 20 DBED C[C@@H](CN(C)C(=O)C(C)(C)S(C)(=O)=O)NC(=O)[C@H](C)C#N 1427724162 ZNYNLHULIVOMSI-ZJUUUORDSA-N 317.411 -0.068 30 20 DBED CC(=O)N(C)CC(=O)NC[C@H]1CCN1C(=O)c1c[nH]c(C#N)c1 1431995076 PHYDRSSMQOUERY-CYBMUJFWSA-N 317.349 -0.305 30 20 DBED C[C@H](NC(N)=O)C(=O)N(C)CC1CCN(C(=O)[C@H](C)C#N)CC1 1432125872 WBOZTTIRMBSODB-MNOVXSKESA-N 323.397 -0.100 30 20 DBED N#Cc1ccc(N2C[C@H](C(=O)NC[C@@H](O)CO)CC2=O)cc1 1434400589 FENSRCAXLKZXJF-DGCLKSJQSA-N 303.318 -0.619 30 20 DBED N#C[C@@H]1CC[C@H](N2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)C1 1434463388 OZBJKUVHOCCWGN-ZOBORPQBSA-N 313.423 -0.546 30 20 DBED N#Cc1cncc(NC[C@H]2CCN(C(=O)Cn3cncn3)C2)n1 1434842833 KQGFJHOGTQLZRM-LLVKDONJSA-N 312.337 -0.100 30 20 DBED C[C@@H](C#N)C(=O)NC1CCN(C(=O)c2cc(=O)n(C)cn2)CC1 1453775050 SPNMDEFZCMPEPY-JTQLQIEISA-N 317.349 -0.339 30 20 DBED C#CC1(O)CCN(C(=O)NCCS(=O)(=O)NCC)CC1 1527465999 ACBUXSBYZKZYMT-UHFFFAOYSA-N 303.384 -0.905 30 20 DBED COC(=O)NCC(=O)N1CC[C@H]1CNC(=O)c1cc(C#N)c[nH]1 1534749846 NJCZCNGKXNKQBF-JTQLQIEISA-N 319.321 -0.427 30 20 DBED C#CCN1CCN(c2nnc([C@@H]3COCCN3)n2CC=C)CC1 1574707510 UTHFQIJHQQVITJ-AWEZNQCLSA-N 316.409 -0.120 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@](CO)(NCCc2cnn[nH]2)C1 1575175942 CILAQNNBCZIBDR-RISCZKNCSA-N 306.370 -0.550 30 20 DBED C[C@H]1CN(c2cnc(-c3nn[nH]n3)c(C#N)n2)C[C@H](C)S1=O 1576366805 VJILWYLWLTWACP-YUMQZZPRSA-N 318.366 -0.126 30 20 DBED N#CCN1CC2(C1)CN(C(=O)CCCCc1cnn[nH]1)CCO2 1577706695 PPCBVVMCVWMKBC-UHFFFAOYSA-N 318.381 -0.046 30 20 DBED CS(=O)(=O)CC1(NC(=O)[C@H](N)CCCCC#N)COC1 1579337339 RUXVEDLNVJNYMO-SNVBAGLBSA-N 303.384 -0.673 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2ccc(C(=O)O)o2)CC1 1588484269 XYOBIJNYJOLTMI-UHFFFAOYSA-N 319.317 -0.515 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H](CN=c2cc[nH]c(C(=O)O)n2)C1 1589329829 UBHMXIBOPCMGOP-UWVGGRQHSA-N 319.321 -0.604 30 20 DBED COCCN(CCC(=O)O)C(=O)C(=O)N1CCC(C#N)CC1 1594000274 NENKWGOEBRQJKQ-UHFFFAOYSA-N 311.338 -0.302 30 20 DBED N#Cc1cc(C(=O)NC2CN(C(=O)[C@H]3C[C@H]3C(=O)O)C2)c[nH]1 1601085803 MTCMXBAVCBAZBS-WDEREUQCSA-N 302.290 -0.452 30 20 DBED O=C(CCN/C(O)=C1/N=CC=CC1=O)NCC1(C(=O)O)CC1 1610657368 VEJGRLRINKTZPK-QXMHVHEDSA-N 307.306 -0.116 30 20 DBED N#Cc1ccc([C@@H](OC(=O)[C@@H]2CCS(=O)(=O)N2)C(N)=O)cc1 1649859010 DQWCOTLLXONYPO-WDEREUQCSA-N 323.330 -0.680 30 20 DBED N#C[C@@H]1CN(C(=O)CCn2cnc3c(N)ncnc32)CCO1 1649893438 RKCIASWTESTHQZ-SECBINFHSA-N 301.310 -0.450 30 20 DBED CC#CCN1CCN(CCNC(=O)CCS(C)(=O)=O)CC1 1752366837 BNUPNCJFRDXAJN-UHFFFAOYSA-N 315.439 -0.822 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)C[C@H]1CCN(C(=O)CCOC)C1 1753347393 ZYTNRFVNGNBPBG-ZIAGYGMSSA-N 309.410 -0.059 30 20 DBED C#CCNC(=O)CN1CC(NC(=O)c2cc3ccccc3nn2)C1 1753383388 FYQKYWGQALYOKC-UHFFFAOYSA-N 323.356 -0.207 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@H](C)N(C)C(=O)C1=CCOCC1 1753686849 XSZYCAHTIWOVOA-STQMWFEESA-N 307.394 -0.093 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H](CNC(=O)c1cnn(C)n1)C(C)C 1753838602 DBNKZUFDEMYTPF-VXGBXAGGSA-N 320.397 -0.703 30 20 DBED C#Cc1cncc(C(=O)N(CC)CCNCC(=O)NC(N)=O)c1 1754066309 HVXNDCDTSTUCRV-UHFFFAOYSA-N 317.349 -0.691 30 20 DBED C#CCNC(=O)CNC[C@@H](C)NC(=O)c1cnc(Cl)n1C 1754233679 FIMKXLQAYLJKAR-SECBINFHSA-N 311.773 -0.469 30 20 DBED C#CCNC(=O)CN1CC[C@](O)(CNC(=O)C(C)(C)C(=C)C)C1 1754756751 UZBLQPYFEHUXOH-KRWDZBQOSA-N 321.421 -0.109 30 20 DBED COCC#CCN1CC(O)(CNC(=O)[C@H](C)C(F)(F)F)C1 1754772066 VXTBCDPCALDCHV-JTQLQIEISA-N 308.300 -0.003 30 20 DBED C=CCCn1cc(C(=O)N[C@@]2(CO)CCCN(CCO)C2)nn1 1754859278 SZTXZLLZZXMESS-HNNXBMFYSA-N 323.397 -0.597 30 20 DBED CCCC[C@H](NC(N)=O)C(=O)NC1(CCO)CN(CC#N)C1 1755344496 LAEDNWRIEILPES-NSHDSACASA-N 311.386 -0.710 30 20 DBED CC#CCN[C@H]1CN(C(=O)Cn2c(O)nnc2O)CC1(C)C 1755764805 AQAVBUOGKMVVHL-JTQLQIEISA-N 307.354 -0.461 30 20 DBED CN(CC(=O)NCC#N)C[C@H](O)CN(C)C(=O)[C@@]1(C)C=CCC1 1755805173 SYXHDFSDGLGWPS-BBRMVZONSA-N 322.409 -0.266 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@H](CO)NC(=O)c1nc(C)c[nH]1 1756515419 LMVHNMHMVSBBID-YGRLFVJLSA-N 310.354 -0.748 30 20 DBED C[C@@H]1CCCN1CC(=O)NC[C@@H](O)CN(C)C(=O)C#CC1CC1 1756662152 ITRPADFFEOVFQC-UKRRQHHQSA-N 321.421 -0.180 30 20 DBED C=CCCC(=O)N[C@@H]1CN(C(=O)C[C@@H]2CCC(=O)N2)C[C@H]1O 1756984604 DNQLWQNHPDQAOK-QJPTWQEYSA-N 309.366 -0.691 30 20 DBED CN(C(=O)N[C@@H](CCC#N)C(=O)O)[C@H]1CCS(=O)(=O)C1 1777022006 CYUDGJHKNHTJEE-IUCAKERBSA-N 303.340 -0.428 30 20 DBED CC(=O)NCCC(=O)N1CC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1783183283 VLIMLFKVSCPRMX-HNNXBMFYSA-N 322.365 -0.744 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](N)[C@H](C)CC 1795556129 GJDRGMGASIOQHZ-RKEKIRQTSA-N 307.394 -0.417 30 20 DBED C#CCCC(=O)N1CC2(CCCN2C(=O)Cn2cncn2)C1 1843081860 OBUPDQGYZXDWNE-UHFFFAOYSA-N 301.350 -0.105 30 20 DBED C#CCNC(=O)COC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 27092507 CLXUTKJDRWNEKD-UHFFFAOYSA-N 319.273 -0.383 30 20 DBED CCN1CCC[C@@H]1CN/C(N)=N\CC1(C(N)=O)CCOCC1 303902946 YCJHBLZWMMLTBI-GFCCVEGCSA-N 311.430 -0.343 30 20 DBED CC[C@H](/N=C(/O)c1cn(C)c(=O)nc1O)C(=O)N1CCOCC1 328602247 GSUIUYWEJJJFTN-JTQLQIEISA-N 324.337 -0.572 30 20 DBED CN1CCOC[C@H]1C(=O)N(CCC#N)CCN1CCOCC1 328991590 DHSCRCNRFNHWPP-AWEZNQCLSA-N 310.398 -0.609 30 20 DBED CC(=O)N1CC(/N=C(/O)CSCC(=O)N2CCOCC2)C1 329656384 MMBFFPDNOFACBF-UHFFFAOYSA-N 315.395 -0.234 30 20 DBED CN1C[C@@H](/N=C(/O)N(C)CC(=O)N2CCOCC2)CCC1=O 329859006 WJVCOLWPDMPKIR-NSHDSACASA-N 312.370 -0.688 30 20 DBED CC[C@@H]1CN(C(=O)Cn2cnc(C#N)n2)C[C@@]2(CCOC2)O1 330061487 OJHYHXDIEWVDSQ-BXUZGUMPSA-N 305.338 -0.054 30 20 DBED CCO[C@@H]1C[C@H](NS(=O)(=O)N2CCO[C@H](C#N)C2)[C@H]1OC 336932406 CJPBCABNFHSGHV-WRWGMCAJSA-N 319.383 -0.762 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)NC[C@@H](O)C1CCOCC1 337090848 KIYOYMJEMYATDN-ZYHUDNBSSA-N 305.400 -0.300 30 20 DBED Cn1cc([C@@H](CO)NS(=O)(=O)c2ccc(C#N)nc2)cn1 339787061 KEJHLCUNXAKVNN-GFCCVEGCSA-N 307.335 -0.301 30 20 DBED C[C@H]1CCCCN1C(=O)[C@@H](C)NC(=O)NCC(=O)NCC#N 344606421 NFUGFMVBCRERKG-WDEREUQCSA-N 309.370 -0.285 30 20 DBED C[C@H](C(=O)NC1(C#N)CCC1)N1CCC[C@H](S(N)(=O)=O)C1 346565132 MBJQQWIWTJTJQP-MNOVXSKESA-N 314.411 -0.310 30 20 DBED C=C[C@H](CO)NC(=O)C(=O)Nc1ccc(-n2ccnn2)cc1 354575897 VMEAOUMPOBPMRH-SNVBAGLBSA-N 301.306 -0.131 30 20 DBED C[C@@H](NC(=O)NCC(=O)NCC#N)[C@@H](O)Cc1ccccc1 358280172 SYXUZPBVAXXESH-YPMHNXCESA-N 304.350 -0.083 30 20 DBED CC#CCCNC(=O)N1CCN(C(=O)CN2CCOCC2)CC1 361634309 ALLNSKBHOOOLMU-UHFFFAOYSA-N 322.409 -0.414 30 20 DBED Cc1cc(NC(=O)C(=O)N2C[C@H](C)[C@@H](CO)C2)nn1CCC#N 362004531 ZCXSXQSGYDTPPD-CMPLNLGQSA-N 319.365 0.131 30 20 DBED N#Cc1cccc(CNC(=O)CN2CCO[C@H](C(N)=O)C2)c1 371474864 NSNFJXZKCVNQDG-ZDUSSCGKSA-N 302.334 -0.639 30 20 DBED C#CCN(C)C(=O)C(=O)Nc1cc(S(N)(=O)=O)cc(C)c1C 491069996 ZWIFQQZHFWNDMA-UHFFFAOYSA-N 323.374 -0.019 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)CCc2cscn2)CC1 491209333 FPOIWRFOWOUBRJ-UHFFFAOYSA-N 320.418 -0.031 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)C2(COC)CCC2)CC1 491543546 HAINDOIYRSZFEI-UHFFFAOYSA-N 307.394 -0.303 30 20 DBED C[C@H](C#N)CNS(=O)(=O)CCCS(=O)(=O)N(C)CC#N 560815775 HRTMEPSJHZRHPB-SNVBAGLBSA-N 322.412 -0.759 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CC[C@@](CO)(COC)C1 577530143 CUACAADAXRTGHO-GFCCVEGCSA-N 305.400 -0.202 30 20 DBED COCC(COC)NCCS(=O)(=O)c1ccc(C#N)cn1 591770547 ITDWTNDDWMTIHC-UHFFFAOYSA-N 313.379 -0.022 30 20 DBED COC(=O)[C@@H]1C[C@@H](O)CN(Cc2cnc3c(C#N)cnn3c2)C1 592528750 BAKGGZKAOPEFOR-DGCLKSJQSA-N 315.333 -0.043 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N(C)Cc1cn(C)nn1 594856198 DIUFDJDGTFLLKS-JTQLQIEISA-N 300.388 -0.027 30 20 DBED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CC(=O)N(C)C2=O)CC1 599249437 SRHYSDSSYGAQSM-GFCCVEGCSA-N 321.381 -0.427 30 20 DBED CC(C)CC[C@@H](CO)NS(=O)(=O)N1CCO[C@@H](C#N)C1 599410396 JUIZEPKNURNBHL-RYUDHWBXSA-N 305.400 -0.158 30 20 DBED CN(C)CCO[C@@H]1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)C1 610764468 UXCNVFKVHXYDHE-LLVKDONJSA-N 321.381 -0.887 30 20 DBED CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N1CC[C@@](F)(C#N)C1 615589261 GLBLMUBJVMQBAS-BXUZGUMPSA-N 310.329 -0.422 30 20 DBED C#CCNS(=O)(=O)c1cccc(C(=O)NCc2nn[nH]n2)c1 731872739 FQDGSKAZUPAQGB-UHFFFAOYSA-N 320.334 -0.959 30 20 DBED C#CCOc1ccc(NC(=O)C(=O)N[C@H]2CCN(C)C2=O)cc1 739128183 XAWKBQPFAYPAEB-ZDUSSCGKSA-N 315.329 -0.016 30 20 DBED N#CCNC(=O)COC(=O)COCCNC(=O)c1ccccc1 752320481 HQGQYOXCFVLSGH-UHFFFAOYSA-N 319.317 -0.384 30 20 DBED N#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@@H]1CNC(=O)C1 784867653 HEISKKPMXKPLDP-VIFPVBQESA-N 320.280 -0.329 30 20 DBED CC(C)COC(=O)[C@H](C)NS(=O)(=O)N1CCO[C@@H](C#N)C1 800097828 RYGCXZAITWERIN-QWRGUYRKSA-N 319.383 -0.367 30 20 DBED O=C(CNC(=O)c1cccc(O)c1)N[C@H]1CCCN(O)C1=O 816757476 SSZFHEZKOIJTJV-NSHDSACASA-N 307.306 -0.382 30 20 DBED C#C[C@H](NC(=O)N[C@H]1CCc2nnnn2CC1)[C@@H]1CCCO1 817781643 UAKZEGJILHBODE-SRVKXCTJSA-N 304.354 -0.142 30 20 DBED C[C@H](CS(=O)(=O)N1CCN(C2CC2)[C@@H](C#N)C1)C(=O)O 827545706 CSVTYZMZHQNENG-KOLCDFICSA-N 301.368 -0.291 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](C)CSC)CC1 831560496 AKIBELOZMYLTFN-NSHDSACASA-N 319.452 -0.403 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](O)C(C)(C)C)CC1 831568812 SSDVDNVWNCKJIS-NSHDSACASA-N 317.411 -0.995 30 20 DBED N#C[C@@H]1CNC[C@@H]1NC(=O)CCN1C(=O)[C@H]2CCCC[C@H]2C1=O 834511529 LZIQBERSWRSBPD-NDBYEHHHSA-N 318.377 -0.221 30 20 DBED CN1C(=O)CN(CC(=O)NCCNc2ncccc2C#N)C1=O 858761764 KAVUMEAZTPQHPE-UHFFFAOYSA-N 316.321 -0.625 30 20 DBED C#CCN1CCC[C@H](NC(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)C1 884218984 DNUMEOIZZAJRKX-RWMBFGLXSA-N 308.382 -0.584 30 20 DBED CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)NCC#CCN(C)C 913522690 VBIAYMLWKGRIJQ-CYBMUJFWSA-N 315.439 -0.226 30 20 DBED C#CC[C@H](NS(=O)(=O)c1cnc(OC)s1)C(=O)OC 916252428 PGJSITQEJRAJDQ-ZETCQYMHSA-N 304.349 -0.005 30 20 DBED Cn1nncc1C(=O)NC[C@H]1CCCN1C(=O)C#CC1CC1 944008209 XSCBVLIIQPIAIA-GFCCVEGCSA-N 301.350 -0.051 30 20 DBED C[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)CC[C@H]1NC(=O)C(N)=O 945279310 LPAPLOUDYSCCCG-GZMMTYOYSA-N 303.322 -0.662 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CNC(=O)c2cn(C)nn2)CC1 949390597 HVQDKAJVXIBZCN-JTQLQIEISA-N 304.354 -0.057 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@@H]2CNC(=O)c2cn(C)nn2)cn1 949746371 OWZFPTHLZFZHHQ-CYBMUJFWSA-N 324.344 -0.164 30 20 DBED N#CCN1C[C@@H](O)[C@H](CNC(=O)c2ccnc3c2CC(=O)N3)C1 958214502 IKBKVVOGGRXGBV-BXKDBHETSA-N 315.333 -0.878 30 20 DBED C#CCN1C[C@H](CNC(=O)c2c(O)nnc(C)c2C)[C@@H](O)C1 958313912 XFNKTIRSAFAFTG-RYUDHWBXSA-N 304.350 -0.545 30 20 DBED CN(C(=O)[C@@]1(C)CCOC1)[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 958940948 YIBAQSRVCHZLHB-ZQIUZPCESA-N 320.389 -0.144 30 20 DBED C[C@@H](NC(=O)c1c[nH]c(C#N)c1)[C@H]1CCN(C(=O)CC(N)=O)C1 959093275 JCXJVMWOGOVDRC-ZJUUUORDSA-N 317.349 -0.271 30 20 DBED C=CCN1C[C@H]2C(NC(=O)[C@H]3CC(=O)N(CCOC)C3)[C@@H]2C1 960167946 QKZDBDSASNWVHA-YNEHKIRRSA-N 307.394 -0.286 30 20 DBED C=C1CC(C)(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@@H]3COCCO3)C2)C1 961658335 GMVLQKLPPFGSPC-AGIUHOORSA-N 324.377 -0.554 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CCCN(C(=O)Cn3ncnn3)[C@@H]2C1 963750901 AEXATAYAKQWIGJ-SDDRHHMPSA-N 317.353 -0.718 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)c1cnccn1 964065417 INBYDHZDNKXSKD-GHMZBOCLSA-N 303.322 -0.407 30 20 DBED CCN(C(=O)[C@H]1CN(C)C[C@@H](C)O1)C1CN(C(=O)[C@@H](C)C#N)C1 968097530 QBFDFJJIMVOCAS-OUCADQQQSA-N 322.409 -0.076 30 20 DBED CC#CCN1CCO[C@]2(CCN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 972644551 ZHWYHQZIEAKHBK-XJKSGUPXSA-N 305.378 -0.408 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3COC(=O)N3)C2)c1 973143043 OGTOPHXTSKSFAS-QXEWZRGKSA-N 317.305 -0.628 30 20 DBED Cc1ccn(CC(=O)N[C@H]2[C@@H]3CN(C(=O)[C@@H](C)C#N)C[C@@H]32)n1 977219724 WVEFSZQDRPHQJQ-PQFRYHKHSA-N 301.350 -0.076 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]1CN(C)C(=O)c1cc(C(N)=O)c[nH]1 978273481 ZHTHOOZAEKAUKL-KOLCDFICSA-N 317.349 -0.054 30 20 DBED C#CCN1C[C@@]2(C)CN(C(=O)[C@@H]3CN(C)C(=O)N3)C[C@@]2(C)C1 982429271 PDUUUGXQYPIBRT-VBNZEHGJSA-N 304.394 -0.186 30 20 DBED C#CCN1C[C@@]2(C)CN(C(=O)CN3CC(=O)NC3=O)C[C@@]2(C)C1 982652611 XBECVDLAVGZFTC-IYBDPMFKSA-N 318.377 -0.658 30 20 DBED N#Cc1c[nH]c(C(=O)NC2CN(C(=O)[C@@]3(F)CCOC3)C2)c1 990723857 SAONURAQSLKQJX-CQSZACIVSA-N 306.297 -0.044 30 20 DBED Cn1cnc(C(=O)N[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]2O)c1 991390512 RPFROSQCUVUSNR-OCCSQVGLSA-N 316.361 -0.475 30 20 DBED N#CCN[C@@H]1CCC[C@H]2CN(C(=O)c3nnc(O)nc3O)C[C@@H]21 992748652 YKCVIRCLCCLOCU-LPEHRKFASA-N 318.337 -0.363 30 20 DBED C=CCn1cc(C(=O)N2CC(NC(=O)c3cncn3C)C2)nn1 995026160 LAWCSVYRTJLQKF-UHFFFAOYSA-N 315.337 -0.548 30 20 DBED C=C1CC(C)(C(=O)N2CC(CNC(=O)[C@@H]3CNC(=O)N3)C2)C1 1003950668 JZSMLWFWJSCTSZ-NSHDSACASA-N 306.366 -0.401 30 20 DBED C[C@@H](C#N)C(=O)N1CC([C@H](C)NC(=O)c2cc(C(N)=O)c[nH]2)C1 1006724070 VJZHHQXMEOOXIG-IUCAKERBSA-N 317.349 -0.150 30 20 DBED COCCn1nc(C(=O)N[C@@H]2CCCN(CC#N)C2)ccc1=O 1007846980 SXKRICLAEWSXMY-GFCCVEGCSA-N 319.365 -0.393 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](NC(=O)Cn2cnnn2)C(C)(C)C1 1007848285 DYZGLONSJLFWJT-VHSXEESVSA-N 305.342 -0.814 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H]2CCN([C@H]3CCCNC3=O)C2)c1 1010458901 VFLOQXIYLAWFOS-AAEUAGOBSA-N 301.350 -0.031 30 20 DBED C=CCn1cccc1C(=O)N[C@@H]1CCN(C(=O)C(N)=O)[C@@H]1C 1012020677 DWSQHJGAIDMLIG-GHMZBOCLSA-N 304.350 -0.121 30 20 DBED Cc1c(C(=O)NC2[C@@H]3CN(C(=O)[C@H](C)C#N)C[C@@H]23)nnn1C 1012899999 CRMCZNGAEPUOMZ-SZEHBUNVSA-N 302.338 -0.530 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@H](N[C@H]3CCC(=O)NC3=O)C2)[nH]1 1018730640 DQLOLKRDHDBMGP-QWRGUYRKSA-N 315.333 -0.504 30 20 DBED C=CCn1cc(C(=O)N[C@H]2C[C@@H](NCc3cnon3)C2)nn1 1022824575 HSUKYKPYWXURST-AOOOYVTPSA-N 303.326 -0.102 30 20 DBED C=CCn1cc(C(=O)N2C[C@@H]3CC[C@H](C2)N3[C@H](C)C(N)=O)nn1 1029506413 MTRILAIRGQEGHV-UTUOFQBUSA-N 318.381 -0.373 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)c3cnccn3)C2)C1=O 1030062640 UVFVPJBXBIGQIV-CYBMUJFWSA-N 301.350 -0.323 30 20 DBED C#CCOc1ccc(C(=O)NC2CN([C@@H](C)C(N)=O)C2)cc1 1031066863 NJIMUOMSAQOFBE-NSHDSACASA-N 301.346 -0.014 30 20 DBED N#Cc1cc(C(=O)NCC2CN([C@@H]3CCC(=O)NC3=O)C2)c[nH]1 1031622795 IAFDDLWNMCEVBJ-GFCCVEGCSA-N 315.333 -0.647 30 20 DBED Cc1nc2ccnn2cc1C(=O)NC[C@H]1CN(CC#N)CCO1 1035565634 MHJMPEIVFLNHOQ-LBPRGKRZSA-N 314.349 -0.008 30 20 DBED C#CCN1CC[C@@H]1CNC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 1038248741 YJPUIMOPAFIGPU-NWDGAFQWSA-N 301.350 -0.414 30 20 DBED C=CCO[C@H](C)C(=O)NC[C@]1(O)CCN(C(=O)c2nc[nH]n2)C1 1040161973 RJHYFRQJENSYTE-QMTHXVAHSA-N 323.353 -0.911 30 20 DBED C=C[C@@H](CC)CC(=O)NC[C@]1(O)CCN(C(=O)CC(N)=O)C1 1040630885 XNWJIFBTIGOIEQ-XHDPSFHLSA-N 311.382 -0.456 30 20 DBED Cc1conc1C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1O 1041157911 HGGHFBDHVUQLMR-NXEZZACHSA-N 314.305 -0.376 30 20 DBED N#CCN1CC[C@H]2CCN(C(=O)CC3CS(=O)(=O)C3)C[C@@H]21 1042124109 ZCRJTGYKRHIPBU-STQMWFEESA-N 311.407 -0.133 30 20 DBED C#CCCCCC(=O)NCC1(O)CN(C(=O)[C@H]2CCN(C)C2)C1 1042663656 AXGCESOHCFGPML-AWEZNQCLSA-N 321.421 -0.179 30 20 DBED C#CCNC(=O)CC(=O)NCC1(O)CN(C(=O)/C(C)=C\CC)C1 1042672754 YXYFMJVVFYVFPR-SDQBBNPISA-N 321.377 -0.828 30 20 DBED C=CCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2COC(=O)N2)C1 1042862879 OJVHWVVSWKBUTP-JTQLQIEISA-N 311.338 -0.859 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)[C@H]2CC2(F)F)C1 1042920349 PDVKVVKZWHYRCN-NXEZZACHSA-N 316.304 -0.631 30 20 DBED C[C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1N=c1cc[nH]c(C#N)n1 1043154686 GLOCWTNOIUPMMR-NXEZZACHSA-N 312.337 -0.529 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)[C@@H](C2CC2)N(C)C)C1 1043462174 HAAPATZFTHTDEJ-CMPLNLGQSA-N 308.382 -0.824 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)C[C@H]2CCN(C)C2)C1 1044001726 SUWIAEODNIOHTM-CYBMUJFWSA-N 309.410 -0.016 30 20 DBED N#Cc1ccc(C(=O)N2CC(O)(CNC(=O)c3cnco3)C2)[nH]1 1044118843 NYLQPZVBPXMOHP-UHFFFAOYSA-N 315.289 -0.509 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)c3ccsn3)C2)nn1 1044258852 SUTOSEGANCYIME-MNOVXSKESA-N 316.346 -0.216 30 20 DBED C=C[C@](C)(CC)C(=O)N1CC(O)(CNC(=O)c2nc[nH]n2)C1 1044781426 AZOUVWZBGMDLJY-CYBMUJFWSA-N 307.354 -0.290 30 20 DBED C#CCCCCCC(=O)N1CC(O)(CNC(=O)c2nc[nH]n2)C1 1044788548 CCZLIBGPBZEHSH-UHFFFAOYSA-N 319.365 -0.309 30 20 DBED Cc1ncn(C)c1C(=O)N1CC(O)(CNC(=O)[C@@H](C)C#N)C1 1045552165 QFSHCKGUVZLNOK-VIFPVBQESA-N 305.338 -0.809 30 20 DBED C=CCC1(C(=O)NCC2(O)CN(C(=O)CC(=O)NC)C2)CCC1 1046120471 ZIBBEHJVDTXWJB-UHFFFAOYSA-N 323.393 -0.442 30 20 DBED CCNC(=O)CC(=O)N(C)[C@H]1CN(C(=O)C#CC(C)C)C[C@@H]1O 1048715234 UZWYPBOLXZRFDM-STQMWFEESA-N 323.393 -0.798 30 20 DBED C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CC[C@@H](C(N)=O)O1 1049724936 UYHGPRAVYFYBQG-ZOBORPQBSA-N 305.378 -0.282 30 20 DBED C[C@@H]1[C@@H](NC(=O)[C@@H]2COC(=O)N2)CCN1c1cnc(C#N)cn1 1050215630 WAXAAKKZUASRNG-MIMYLULJSA-N 316.321 -0.460 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)[C@@H]1CCCS1(=O)=O 1051256619 ZUCNKIQQUNTPOV-NEPJUHHUSA-N 300.380 -0.986 30 20 DBED C[C@@H](O)CN1CCN([C@H]2CCN(C(=O)C#CC3CC3)C2)CC1 1052027217 YTRFNBWFVPWJFJ-ZBFHGGJFSA-N 305.422 -0.001 30 20 DBED CN1C(=O)CCC[C@H]1C(=O)N1CCOC2(CN(CC#N)C2)C1 1053520406 GLMNYNURSWXRJR-LBPRGKRZSA-N 306.366 -0.566 30 20 DBED C#CCCN1CC2(CC[C@H](CNC(=O)[C@@H]3CN(C)CCO3)O2)C1 1053585908 KQEZYQXDVAJCAW-CABCVRRESA-N 321.421 -0.310 30 20 DBED C[C@@H](C(N)=O)N1CC2(C[C@@H](NC(=O)c3ccc(C#N)[nH]3)CO2)C1 1053774287 WWZFPASEUOJPPH-GXSJLCMTSA-N 317.349 -0.667 30 20 DBED C=CCCN1CC2(C[C@H](NC(=O)c3cn(C)c(=O)cn3)CO2)C1 1053875073 RLRRYGJGDYQGME-LBPRGKRZSA-N 318.377 -0.071 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)c3cn(CC4CC4)nn3)CO2)C1 1053969662 UJMTXBSJOLIVFZ-LBPRGKRZSA-N 316.365 -0.215 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)C3CCN(C(C)=O)CC3)CO2)C1 1054004561 QCQYAZKBBZBPOD-OAHLLOKOSA-N 319.405 -0.162 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2CN(C(=O)c3cc[nH]n3)C[C@@H]2C1 1055187219 WNGOWUQOLUTPNY-RWMBFGLXSA-N 316.361 -0.022 30 20 DBED N#Cc1nccc(N2C[C@@H]3C(NC(=O)Cc4cncnc4)[C@H]3C2)n1 1056189887 DZQDGOVHYSTBPR-RYUDHWBXSA-N 321.344 -0.068 30 20 DBED C=C[C@H](C)[C@@H](C)C(=O)NCCN(CCO)C(=O)Cn1cnnn1 1056932989 JWJMFZZCAQXPTR-NWDGAFQWSA-N 324.385 -0.932 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)c1ccc(C(N)=O)[nH]1 1057172830 UIHGFAYSHQVGIN-UHFFFAOYSA-N 322.365 -0.370 30 20 DBED N#CCSCC(=O)NCCN(CCO)C(=O)c1cocn1 1057196307 CDERLXMUYGCYBT-UHFFFAOYSA-N 312.351 -0.518 30 20 DBED CCn1ncc(C(=O)N(CCO)CCNC(=O)C#CC2CC2)n1 1057501048 CBIILTSBOSPSAJ-UHFFFAOYSA-N 319.365 -0.738 30 20 DBED C=C(C)CCC(=O)N(CCO)CCNC(=O)[C@H]1COCCO1 1057807428 CAKXAGRTIAXONX-CYBMUJFWSA-N 314.382 -0.305 30 20 DBED C=C(C)C(C)(C)C(=O)NCCN(CCO)C(=O)c1cnn(C)n1 1058095480 IJTALYXVFZGQOH-UHFFFAOYSA-N 323.397 -0.032 30 20 DBED Cn1ncc(C(=O)N[C@@H]2CCCN(c3cnc(C#N)cn3)C2)n1 1058175512 OETSPJZSPUUPHA-SNVBAGLBSA-N 312.337 -0.124 30 20 DBED C[C@H](C(=O)N[C@@H]1CCN(c2ccc(C#N)nn2)C1)n1cncn1 1058318956 JUUKGYDQZRXFGL-ZYHUDNBSSA-N 312.337 -0.104 30 20 DBED CCn1nncc1C(=O)N[C@@H]1CCN(c2cncc(C#N)n2)C1 1058354158 YTZYTWIFKIQEKI-SNVBAGLBSA-N 312.337 -0.032 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)CN(C)C1CCC1 1061663927 RYKWAUODKWAHPT-TZMCWYRMSA-N 322.409 -0.026 30 20 DBED CCn1cc(C(=O)N[C@H]2[C@H]3C[C@H]2N(c2cnc(C#N)cn2)C3)nn1 1064288763 BUWJTSAMCFLDQH-BHYNMZESSA-N 324.348 -0.033 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)c2nccnc2N)CCC1 1064301959 BBFAZQLTFJTVDG-VIFPVBQESA-N 302.338 -0.013 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(C(=O)Cc2ccon2)CCO1 1064997236 RGJJFWFJGCQADL-AWEZNQCLSA-N 317.345 -0.026 30 20 DBED C#CCCCC(=O)N1CCO[C@@H](CNC(=O)c2ncn(C)n2)C1 1065094979 AFWIYHSSIHYMST-LBPRGKRZSA-N 319.365 -0.424 30 20 DBED CC(C)C#CC(=O)N1CCO[C@H](CNC(=O)[C@H]2CCNC2=O)C1 1065127462 YVNINEJOPUTMEM-OLZOCXBDSA-N 321.377 -0.875 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)Cc2cnc[nH]2)CCO1 1065674988 JXNXJGLKYLNOOG-ZDUSSCGKSA-N 322.365 -0.502 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC[C@@H](NC(=O)c2cnn[nH]2)CC1 1066301015 NFSRZKYXMAXQRH-NWDGAFQWSA-N 319.365 -0.046 30 20 DBED C=CCCC(=O)N1CC2(C[C@H](NC(=O)CNC(C)=O)CO2)C1 1068661522 JWEUQGVJRDKGEE-LBPRGKRZSA-N 309.366 -0.425 30 20 DBED CN(C(=O)c1cn(C)nn1)C1CC(N=c2cc[nH]c(C#N)n2)C1 1069733825 LFZDBUIPDLUBJO-UHFFFAOYSA-N 312.337 -0.386 30 20 DBED Cc1cc(C(=O)N[C@@H]2CN(CC#N)C[C@@H]2n2ccnn2)nn1C 1069900717 RTIRXOYZSRXECN-OLZOCXBDSA-N 314.353 -0.501 30 20 DBED CO[C@@H](C(=O)N1C[C@H](n2ccnn2)[C@H](NCC#N)C1)C1CCC1 1070246296 PJFUFAMATPSHEP-HZSPNIEDSA-N 318.381 -0.042 30 20 DBED CCn1cc(C(=O)N2C[C@@H]3C[C@@H]4CN(CC#N)C[C@]3(C2)O4)nn1 1070871826 HZZZPSVWIRBPBW-YWPYICTPSA-N 316.365 -0.263 30 20 DBED C[C@H]1CC[C@@H](NC(=O)CN2CCCS2(=O)=O)CN1CC#N 1071550040 WVUKVEPWOSNZAF-NWDGAFQWSA-N 314.411 -0.485 30 20 DBED C#Cc1ccc(C(=O)N2C[C@@H](C)[C@@H](NC(=O)CC(N)=O)C2)nc1 1072466880 BNFGZFSUZSXLMY-MFKMUULPSA-N 314.345 -0.485 30 20 DBED CCn1nc(C(=O)N2CC3(CCN(CC#N)C3)C2)ccc1=O 1073064966 OTHZKJDGSAWNHY-UHFFFAOYSA-N 301.350 -0.065 30 20 DBED C#CCOCCC(=O)N1CC[C@H](NC(=O)CNC(N)=O)[C@@H](C)C1 1073704525 JCFXMYYDHUHZGL-RYUDHWBXSA-N 324.381 -0.952 30 20 DBED C#CCCCC(=O)N1CC[C@H](NC(=O)c2nnn(C)n2)[C@H](C)C1 1074110521 RRLZRMLARMHZQG-NEPJUHHUSA-N 318.381 -0.020 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3cnn(C)c3C2)C1 1077572522 ABAABUFSTTVUFO-JGGQBBKZSA-N 316.405 -0.290 30 20 DBED CC(=O)Nc1ccccc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n2ccnc2)C[C@@H]1O 1081341818 UYFRATGFFWPUOU-STQMWFEESA-N 322.365 -0.979 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2nocc2C)C[C@H]1O 1081343519 DCVADKJQPZFYAG-VXGBXAGGSA-N 323.349 -0.265 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2cocn2)C[C@@H]1O 1081346064 CWBYWCHAGYCCQH-PWSUYJOCSA-N 309.322 -0.574 30 20 DBED C=CCCn1cc(C(=O)N2C[C@@H](N[C@H](C)C(N)=O)[C@H](C)C2)nn1 1082796600 CPNGDIDJCCQOJM-IJLUTSLNSA-N 320.397 -0.222 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cn(C)nc1OC 1083161548 IDZFPCBOVGDXSJ-QWHCGFSZSA-N 304.350 -0.413 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CN(Cc3csnn3)C[C@@H]2O)c[nH]1 1083414520 HYKPSFZJBPLVCU-NEPJUHHUSA-N 318.362 -0.287 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)Cn2ccc(C(F)(F)F)n2)C1 1084033085 FSWISZXISYFYBR-ZJUUUORDSA-N 316.283 -0.304 30 20 DBED N#CCN1C[C@H]2CC[C@H]1[C@@H]1CN(C(=O)Cn3cnnc3O)C[C@@H]21 1087350540 CPUFSQOWBBQPRU-XQHKEYJVSA-N 316.365 -0.324 30 20 DBED CN(C)C(=O)CN1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H](O)C1 1090194308 HXZRFTUDTIVRMP-OLZOCXBDSA-N 319.365 -0.860 30 20 DBED CC(=O)NCC(=O)N1CC[C@H](Nc2ccc(C#N)nn2)[C@@H]1C 1090195230 RPBRKOZADHOGIJ-CABZTGNLSA-N 302.338 -0.114 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2ccc3nn[nH]c3n2)[C@H](O)C1 1090310073 KEPZYCUKEZQNGR-LDYMZIIASA-N 301.310 -0.959 30 20 DBED Cn1ncc(C2CC2)c1C(=O)N[C@H]1CCN(CC#N)C[C@H]1O 1090315494 JQPULTLLFITOKO-QWHCGFSZSA-N 303.366 -0.014 30 20 DBED N#Cc1cccnc1N1C[C@@H](O)[C@H](NC(=O)CC2(O)CCC2)C1 1090411210 RIHWWPMFHDEWLF-CHWSQXEVSA-N 316.361 -0.076 30 20 DBED C#CCN1CC[C@@H](NC(=O)Cc2ccccc2C(N)=O)[C@@H](O)C1 1090482008 INRJERYOWHPYBS-CABCVRRESA-N 315.373 -0.487 30 20 DBED N#CCN1CC[C@@H](NC(=O)Cc2ccccc2C(N)=O)[C@@H](O)C1 1090483382 ROOYIJVHGCLITP-KGLIPLIRSA-N 316.361 -0.597 30 20 DBED C=CCN1CC[C@H](NC(=O)c2ccnc3c2nnn3C)[C@H](O)C1 1090522170 HIILDXMIDKPOHG-NWDGAFQWSA-N 316.365 -0.286 30 20 DBED C=CCN1CC[C@H](NC(=O)c2c(OC)ncnc2OC)[C@@H](O)C1 1090844944 UZZWBEUBALRXSL-QWRGUYRKSA-N 322.365 -0.155 30 20 DBED CC[C@@H]1[C@@H](NC(=O)CC(=O)NC)CCN1c1cnc(C#N)cn1 1091771657 UBHUWOVWEIGIDA-NWDGAFQWSA-N 316.365 -0.042 30 20 DBED C=CCOCC(=O)N1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 1093141355 JSGQENHOZYDLGR-UHFFFAOYSA-N 322.325 -0.182 30 20 DBED N#Cc1cnc(N2CCN(C(=O)CCNC(N)=O)CC2)cn1 1093155563 FMOJGPZMGPXTRY-UHFFFAOYSA-N 303.326 -0.945 30 20 DBED CC(=O)N1CCO[C@H](C(=O)NCCNc2cnc(C#N)cn2)C1 1093799245 OPDQJGGWCMVWRG-LBPRGKRZSA-N 318.337 -0.876 30 20 DBED C=CCN1CC(n2cc(CNC(=O)[C@@H]3CCC(=O)NC3)nn2)C1 1094300351 LEFPHOKFOHQMRM-LLVKDONJSA-N 318.381 -0.537 30 20 DBED CC#CCN1CC(n2cc(CNC(=O)[C@@H]3CCN(C)C3)nn2)C1 1094338516 IUHOTCCJSZHRGQ-CYBMUJFWSA-N 316.409 -0.274 30 20 DBED C=CCN1CCN(C(=O)[C@H](O)C(C)C)[C@@H]2CS(=O)(=O)C[C@@H]21 1094630677 IVIIMMNCMMDPJZ-YNEHKIRRSA-N 316.423 -0.501 30 20 DBED CC#CCN1CC(N2C[C@H](NC(=O)c3n[nH]cc3C)CC2=O)C1 1094735612 RUAZGPAMNNUYRF-GFCCVEGCSA-N 315.377 -0.244 30 20 DBED C[C@H](CC(N)=O)C(=O)N1CC[C@H](N(C)c2ccc(C#N)nn2)C1 1095151044 RQMUGHSCKNRFMP-PWSUYJOCSA-N 316.365 -0.103 30 20 DBED N#Cc1cnc(N2CCC(NC(=O)C3(C(N)=O)CC3)CC2)cn1 1095444487 OOMFOZXCVIHEFR-UHFFFAOYSA-N 314.349 -0.301 30 20 DBED CC(=O)N[C@@H](C)C(=O)N[C@H]1CCCN(c2cncc(C#N)n2)C1 1096134797 OWYKUSLYFYQSIT-JQWIXIFHSA-N 316.365 -0.042 30 20 DBED CO[C@@H](C)C(=O)NCCN1CCN(c2cncc(C#N)n2)CC1 1096271072 UNXUOSHIDQMNLH-LBPRGKRZSA-N 318.381 -0.379 30 20 DBED C[C@H](CNC(=O)CN1CCCC1=O)N=c1cc[nH]cc1C#N 1097695989 HZCBOKKEJLDVDN-LLVKDONJSA-N 301.350 -0.086 30 20 DBED C[C@H](CNC(=O)[C@H]1CN(C)CCO1)Nc1cnc(C#N)cn1 1097767762 BGPHYHKSTIUZDM-ZYHUDNBSSA-N 304.354 -0.405 30 20 DBED C[C@@H](CNC(=O)c1cn(C)c(=O)n1C)Nc1nccnc1C#N 1097894880 CMLDHYMORFWVLV-VIFPVBQESA-N 315.337 -0.384 30 20 DBED C[C@@H](CNC(=O)CCN1CCOCC1)N=c1cc[nH]c(C#N)n1 1097945449 NTCKBZUJMUHJPC-LBPRGKRZSA-N 318.381 -0.591 30 20 DBED C[C@H](CNC(=O)CO[C@H]1CCOC1)N=c1cc[nH]c(C#N)n1 1098075503 AJXARLYPHGNXAE-MNOVXSKESA-N 305.338 -0.508 30 20 DBED COc1nccc(C(=O)N2CCC(N(CC#N)CCO)CC2)n1 1098425823 IBVIODANKYZUCN-UHFFFAOYSA-N 319.365 -0.092 30 20 DBED C#Cc1ccc(C(=O)N2CCC(N(CCO)CCO)CC2)cn1 1098536397 IXTPTGQVINVRBL-UHFFFAOYSA-N 317.389 -0.046 30 20 DBED CNC(=O)NCCC(=O)NCC[C@@H](C)N=c1cc[nH]c(C#N)n1 1099095961 PKRWAEPWTMEBAP-SNVBAGLBSA-N 319.369 -0.604 30 20 DBED C[C@@H](CCNC(=O)[C@H]1CCN(C)C1=O)N=c1cc[nH]c(C#N)n1 1099638101 IYYXWIMOZVKCMV-WDEREUQCSA-N 316.365 -0.445 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)CC(F)(F)F)[C@H](O)C1 1099713886 ZKQZEYVJAIGRRK-VHSXEESVSA-N 323.315 -0.208 30 20 DBED C=CCCN1CC[C@H](NC(=O)CCN2C(=O)CCC2=O)[C@H](O)C1 1099908450 DLANOGWLMUHQEN-QWHCGFSZSA-N 323.393 -0.347 30 20 DBED C=CCCCC(=O)N[C@@H]1CCN(CCS(C)(=O)=O)C[C@H]1O 1099975681 GBCPVJGHWQLAKF-CHWSQXEVSA-N 318.439 -0.061 30 20 DBED C=CCN1CC[C@@H](NC(=O)C(=O)Nc2cc(C)on2)[C@@H](O)C1 1100112068 PNHZHCKQAWKUOD-MNOVXSKESA-N 308.338 -0.341 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)N[C@@H]1CCN(CC=C)C[C@H]1O 1100128672 ALOJHLNLWQSCKX-CHWSQXEVSA-N 324.425 -0.012 30 20 DBED C#CCOCCC(=O)NCC1CC(N[C@H]2CCC(=O)NC2=O)C1 1100325871 AKCGESOGBOCBBE-BPCQOVAHSA-N 321.377 -0.684 30 20 DBED CCN(CCNC(=O)c1nnn(C)n1)c1nccnc1C#N 1100679496 ZAYCFJRJHBKFRM-UHFFFAOYSA-N 301.314 -0.872 30 20 DBED COC(=O)NCC(=O)NC[C@H]1CCCN1c1nccnc1C#N 1100802567 PAQRMLNPXGKRQY-SNVBAGLBSA-N 318.337 -0.211 30 20 DBED C=CCOCCN1C[C@@H](C)[C@H](CNC(=O)Cn2cnnn2)C1 1101714961 VSHIBQQWQJNRNA-CHWSQXEVSA-N 308.386 -0.440 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)[C@H]2OCC[C@H]2C)C1 1102380717 UFXROBYZQCYYNW-KQTLUZQSSA-N 321.421 -0.155 30 20 DBED C=CCN1C[C@@H](C)[C@H](CCNC(=O)Cn2ncn(C)c2=O)C1 1103165124 MUAZBIFOIPIRQC-CHWSQXEVSA-N 307.398 -0.158 30 20 DBED CC[C@H](CNC(=O)c1nnn(C)n1)Nc1ccc(C#N)nn1 1103275737 PXRDZLVKACLOSH-MRVPVSSYSA-N 301.314 -0.508 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)[C@H]1CCCC(=O)N1 1104113080 GFPVXFMSSMFVEX-WDEREUQCSA-N 316.365 -0.397 30 20 DBED C#CCNC(=O)CC(=O)N(C)CCN(C)c1nccc(C)n1 1105368105 BNJZAHVNMYTKCP-UHFFFAOYSA-N 303.366 -0.181 30 20 DBED Cc1nn[nH]c1C(=O)N(C)CCN(C)c1nccnc1C#N 1105515016 OJVZGAZVNBVURD-UHFFFAOYSA-N 300.326 -0.017 30 20 DBED C[C@@H](CC(N)=O)C(=O)N(C)CCN(C)c1ccc(C#N)nn1 1105521121 BSOKVKCUGHYWFM-JTQLQIEISA-N 304.354 -0.246 30 20 DBED N#Cc1nc(=NC[C@H]2CCC[C@@H]2NC(=O)CC(N)=O)cc[nH]1 1105651941 OFRAEXWVUZIJNV-ZJUUUORDSA-N 302.338 -0.658 30 20 DBED CN1CCC[C@@H]1C(=O)NC[C@@H](O)CNc1ccc(C#N)nc1 1105756658 XUKHZULRKXTSJQ-UONOGXRCSA-N 303.366 -0.064 30 20 DBED C[C@H](CCNc1cncc(C#N)n1)NC(=O)Cn1cncn1 1106332832 AJDMRGSOLNGHAJ-SNVBAGLBSA-N 300.326 -0.053 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)CN2CCC(=O)NC2=O)C[C@H]1C 1106843427 DXJFZXFZSUODCP-CHWSQXEVSA-N 320.393 -0.364 30 20 DBED N#Cc1ccc(NC/C=C/CNC(=O)[C@@H]2CCCNC2=O)nn1 1107390303 UMULNNDELIAKOP-ISUDXETCSA-N 314.349 -0.041 30 20 DBED C#CCNC(=O)CN1CCO[C@](C)(CNC(=O)/C(C)=C/C)C1 1107852851 KOUSEKMLHVKFFF-MSXUNZPYSA-N 307.394 -0.091 30 20 DBED C#CCNC(=O)CN1CCO[C@@](C)(CNC(=O)[C@@H]2C[C@H]2C)C1 1108125963 OTBOAKDNRGWELM-IOASZLSFSA-N 307.394 -0.401 30 20 DBED COCC#CCN1CCO[C@@](C)(CNC(=O)C2(C(N)=O)CC2)C1 1108175264 UEENHKIQMHAJES-HNNXBMFYSA-N 323.393 -0.891 30 20 DBED C=C(C)CN1CCO[C@](C)(CNC(=O)C2CC(=O)NC(=O)C2)C1 1108278349 MHIQXNFGDXJYIW-MRXNPFEDSA-N 323.393 -0.178 30 20 DBED C[C@@H]1CCN(C(=O)C(=O)NC[C@]2(C)CN(CC#N)CCO2)C1 1108332252 YQPZQMYWCIOZQJ-IUODEOHRSA-N 308.382 -0.415 30 20 DBED C=CCCN1CC(N2C[C@H](NC(=O)C(C)(C)C(N)=O)CC2=O)C1 1108553369 LHUKBFBDQDGJKI-LLVKDONJSA-N 322.409 -0.525 30 20 DBED C[C@@H](CNc1ccc(C#N)nn1)NC(=O)[C@@H]1CC(=O)N(C)C1 1108747591 ACHISOOFQXHMND-VHSXEESVSA-N 302.338 -0.257 30 20 DBED C[C@@H](CN(C)c1ccc(C#N)cn1)NC(=O)[C@H](C)NC(N)=O 1108915566 OYPZNLWSLURICZ-UWVGGRQHSA-N 304.354 -0.049 30 20 DBED C[C@@H](CN(C)c1ccnc(C#N)n1)NC(=O)C[C@@H]1CCNC1=O 1109114344 JRZIUIWHZUPJLB-QWRGUYRKSA-N 316.365 -0.185 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C[C@@H](C)NC(N)=O 1109285089 RYXMEKKOERELRX-MQYQWHSLSA-N 322.409 -0.195 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)CCCNc1nccn2nnnc12 1109529682 XNJQGNOQHGHRGL-NSHDSACASA-N 317.353 -0.182 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H]1COCCN1c1ncccn1 1111700059 IHXJOHQHUZUUEI-CHWSQXEVSA-N 304.350 -0.164 30 20 DBED C#CCN1C[C@@H]2CCC[C@]2(NC(=O)CCCS(N)(=O)=O)C1 1111859243 WGYCFRDQRDCHBH-JSGCOSHPSA-N 313.423 -0.341 30 20 DBED CO[C@H](C)C(=O)NC1(CO)CCN(c2ccc(C#N)nn2)CC1 1112651684 WKVGIYISIUJRSI-LLVKDONJSA-N 319.365 -0.169 30 20 DBED COCCC(=O)NC[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1O 1112689164 JLKIFDQTXHYJEK-BXUZGUMPSA-N 304.350 -0.097 30 20 DBED CC(=O)N[C@@H](C)C(=O)NC1CC(CN=c2cc[nH]c(C#N)n2)C1 1112813516 BWMLBCUZUXUUHY-GCVQQVDUSA-N 316.365 -0.399 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)c2cnn(CC)n2)CC1 1112821326 VSJPVSQKMLMOGN-LBPRGKRZSA-N 318.381 -0.806 30 20 DBED CO[C@@H](CC(C)C)C(=O)N1CCN(CC(=O)NCC#N)CC1 1113318520 XUMFGCOPEAQVNF-ZDUSSCGKSA-N 310.398 -0.169 30 20 DBED CC(=O)N(C)CC(=O)NC[C@H](C)N(C)c1ccnc(C#N)n1 1113498168 MVIDHLPNRSYERI-JTQLQIEISA-N 304.354 -0.233 30 20 DBED C[C@H](CNC(=O)[C@@H]1CCNC(=O)C1)N(C)c1cnc(C#N)cn1 1113575598 ZEJAPYUYTXYYAN-GHMZBOCLSA-N 316.365 -0.185 30 20 DBED C[C@H](CNC(=O)COCCN(C)C)N(C)c1nccnc1C#N 1113659553 XOHHFLVOKBVKRY-GFCCVEGCSA-N 320.397 -0.133 30 20 DBED C[C@H](C[C@@H]1CCCO1)C(=O)N1CCN(CC(=O)NCC#N)CC1 1113703547 BSDMBMMILUJPBD-KGLIPLIRSA-N 322.409 -0.024 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)CC)[C@H]2C1 1113759424 DPXVTTMIWQZMOL-DCQANWLSSA-N 308.382 -0.157 30 20 DBED N#Cc1ccc(CN2C[C@H]3C(NC(=O)CNC(N)=O)[C@@H]3C2)cc1 1113849865 NPTYVFPHRUVLCQ-CHWSQXEVSA-N 313.361 -0.227 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)Cn3cccn3)[C@@H]2C1 1113854352 GTCNFGZWBBSDKC-YNEHKIRRSA-N 317.393 -0.380 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)C[C@H]3CCCO3)[C@H]2C1 1113913634 QAZNUKGZFGJNGG-FOCJUVANSA-N 305.378 -0.649 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)COCCCC)[C@H]2C1 1114095330 GXJRKHQFQRKPPZ-TTZDDIAXSA-N 321.421 -0.013 30 20 DBED C#CCOCCC(=O)NC1[C@H]2CN(CC(=O)NCCC)C[C@H]12 1114265450 DXTFZZAWMQQOHI-STQMWFEESA-N 307.394 -0.401 30 20 DBED C[C@H](CCCNc1nccnc1C#N)NC(=O)[C@@H]1CNC(=O)N1 1115062460 TURSLFAQTAIUKE-KOLCDFICSA-N 317.353 -0.274 30 20 DBED CN(CCOCCNC(=O)CC(N)=O)c1ncccc1C#N 1115200022 JFMZUKBIEDBUOL-UHFFFAOYSA-N 305.338 -0.602 30 20 DBED N#Cc1ccc(NCCCOCCNC(=O)CNC(N)=O)nc1 1115387424 LJMLYYNBVAXBIX-UHFFFAOYSA-N 320.353 -0.444 30 20 DBED Cc1cc(NC(=O)C(=O)N2C[C@@H](O)[C@H](C)C2)nn1CCC#N 1116473990 URBYJDBZSYZDSU-MWLCHTKSSA-N 305.338 -0.117 30 20 DBED CO[C@@]1(CNC(=O)CCN/C(O)=C2/N=CC=CC2=O)CCOC1 1116601100 ZFBKTEGGMUPVNC-SEWDUPMJSA-N 323.349 -0.175 30 20 DBED CCOc1ncccc1CNC(=O)C(=O)N1CCO[C@@H](C#N)C1 1117033271 OQLJZCRWNIGHDE-LBPRGKRZSA-N 318.333 -0.153 30 20 DBED C#CCN(C)C(=O)C(=O)N1CCN(C(=O)N2CCCCC2)CC1 1117883231 LQYGPCWHNJITBY-UHFFFAOYSA-N 320.393 -0.172 30 20 DBED CO[C@H](CNC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1)C(C)C 1119136488 JATIVYINTHDGGA-UONOGXRCSA-N 322.409 -0.028 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)C[C@H]2CCCO2)nn1 1121099365 GERPMOZTOSTTTH-NWDGAFQWSA-N 305.338 -0.194 30 20 DBED Cc1ocnc1C(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1 1121165877 RYVQTRSMZSRSKP-SECBINFHSA-N 302.294 -0.731 30 20 DBED N#Cc1cnc(N[C@H](CO)CNC(=O)c2ccc(C#N)[nH]2)cn1 1121317113 IQMQVKILTWSIKW-NSHDSACASA-N 311.305 -0.249 30 20 DBED Cc1cn(C)nc1C(=O)NC[C@H](CO)Nc1nccnc1C#N 1121447324 VFPPFLYHRKVSDE-SNVBAGLBSA-N 315.337 -0.407 30 20 DBED C[C@H](C(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1)C(F)(F)F 1122326390 WQLAHGFRLBZIOT-SFYZADRCSA-N 317.271 -0.142 30 20 DBED CN1C(=O)CC[C@@H]1C(=O)NC[C@H](CO)Nc1ncccc1C#N 1122391921 URNGSWXHWWWAPM-VXGBXAGGSA-N 317.349 -0.537 30 20 DBED Cc1nocc1C(=O)NC[C@H](CO)N=c1cc[nH]cc1C#N 1122438754 XQOINXLIQITTEW-LLVKDONJSA-N 301.306 -0.126 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)c1ccco1 1122661834 SKDWRIAVZPYCCL-SNVBAGLBSA-N 308.338 -0.001 30 20 DBED CNC(=O)NCC(=O)N1C[C@H](Nc2cnc(C#N)cn2)C[C@H]1C 1123322433 ZEHLPEGMUFNCGC-NXEZZACHSA-N 317.353 -0.321 30 20 DBED CN(C[C@@H](O)CNc1ncccc1C#N)C(=O)[C@H]1CCNC1=O 1124693941 KIDREHSUOJWEER-RYUDHWBXSA-N 317.349 -0.679 30 20 DBED C[C@H](CC(N)=O)C(=O)N(C)C[C@@H](O)CNc1cncc(C#N)n1 1124695235 WKOWRRNERNDVNB-KOLCDFICSA-N 320.353 -0.909 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCNCC(=O)N1CCO[C@H](C)C1 1126379030 WCCCVBLWKZCXOA-IUODEOHRSA-N 313.398 -0.733 30 20 DBED O=C(C#CC1CC1)NCCNC[C@@H](O)COC[C@@H]1CCCO1 1126886444 SJZSHRGAQKGQQL-CABCVRRESA-N 310.394 -0.338 30 20 DBED C#CCOCCC(=O)NCCNC[C@H](O)COCC(C)C 1127023040 AMFWSOMRUPMPRQ-AWEZNQCLSA-N 300.399 -0.234 30 20 DBED CNC(=O)NCC(=O)N(C)C1CC(N=c2cc[nH]cc2C#N)C1 1127088412 GGGCBJFLDUXBKT-UHFFFAOYSA-N 316.365 -0.295 30 20 DBED COCC1(C(=O)N[C@@H]2CN(CC#N)C[C@@H]2n2ccnn2)CC1 1129106864 UEFQGRPTIVCLLO-NEPJUHHUSA-N 304.354 -0.430 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1ccsc1COC 1130254953 FGVYQNBTZHQBIF-UHFFFAOYSA-N 309.391 -0.037 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1csc2cncn12 1134630540 FQAFECNOLPZTJH-SNVBAGLBSA-N 319.390 -0.147 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)c1cnc(C)n1C 1135282280 OLVUFTHOQJABTE-NEPJUHHUSA-N 319.409 -0.036 30 20 DBED C=C(C)CN[C@@H](C)C[C@H](C)NC(=O)CNS(=O)(=O)N(C)C 1135569050 ZYZKBUUDLGEXEY-RYUDHWBXSA-N 320.459 -0.169 30 20 DBED C#CCCN[C@@H](C)C[C@@H](C)NC(=O)CN1C(=O)C(=O)N(C)C1=O 1135593623 SBYPXUKSMWOCAW-WDEREUQCSA-N 322.365 -0.697 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1c[nH]nc1C(C)(C)C 1147328481 VNXVUULENIPIPC-UHFFFAOYSA-N 305.382 -0.224 30 20 DBED Cc1c[nH]c(C(=O)N2CC3(CCN(CC(=O)NCC#N)C3)C2)n1 1148413293 VVPVSYZGCOBRAU-UHFFFAOYSA-N 316.365 -0.494 30 20 DBED COCC#CCNCCNC(=O)Cc1nc(C2CC2)nn1C 1151723399 MQZFNTHLPPQMRE-UHFFFAOYSA-N 305.382 -0.409 30 20 DBED C#CCN1CCC(CNC(=O)[C@H]2CCC(=O)N2)(COC)CC1 1162171720 VSYUBCJSEMKBBQ-CYBMUJFWSA-N 307.394 -0.257 30 20 DBED C#CCN1CCC(CNC(=O)C[C@@H](C)NC(N)=O)(COC)CC1 1162258822 BVGBTFALKGPYPA-CYBMUJFWSA-N 324.425 -0.089 30 20 DBED C#CCNCCCC[C@H](C)NC(=O)CCn1cc[nH]c(=O)c1=O 1175720054 SXACYZZHKKZJDE-ZDUSSCGKSA-N 320.393 -0.176 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)c1cc(CC)n(C)n1 1177501240 LZVIHRSWRJPHLZ-GFCCVEGCSA-N 319.409 -0.170 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)c2cnns2)[C@H]1C 1178210843 BWPBFNXDFVRREW-VWYCJHECSA-N 321.406 -0.131 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2ccn(C)c2)[C@H]1C 1178463361 ZBCNTMAQUQVECL-JSGCOSHPSA-N 302.378 -0.033 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)Cn2ccc(C)n2)C1 1185716383 VVZWVYUCVBNNLV-CYBMUJFWSA-N 303.366 -0.869 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)C[C@H]2CCCOC2)C1 1187880294 ZWTSTRNCBJCQES-ZIAGYGMSSA-N 307.394 -0.257 30 20 DBED C=CCN1C[C@@H]2CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)[C@@H]2C1 1189334238 NURSEFLYGBPYIK-RWMBFGLXSA-N 308.382 -0.915 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)C(C)=C2CCC2)C1 1192770978 WXJYPDFQIUATME-NWANDNLSSA-N 319.405 -0.214 30 20 DBED CC(C)c1noc(CCC(=O)N[C@@H]2CN(CC#N)C[C@H]2O)n1 1195157529 GCLLVKNEUMZEEW-GHMZBOCLSA-N 307.354 -0.190 30 20 DBED CC#CCCCC(=O)N[C@@H]1CN([C@@H]2CCC(=O)NC2=O)C[C@H]1O 1195467675 RUZVCSSTMPFIKW-JHJVBQTASA-N 321.377 -0.854 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)C(C)(C)NC(=O)C(F)(F)F)C1 1198983003 QIKQYXVGOHGUFM-RKDXNWHRSA-N 323.315 -0.209 30 20 DBED C=CCCCN1C[C@@H](O)[C@H](NC(=O)CS(=O)(=O)CC)C1 1199081243 GPJPSGDLHXHYBC-VXGBXAGGSA-N 304.412 -0.451 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2nc(CC)no2)C[C@H]1O 1199318061 KEPNWZINNOGRKE-IJLUTSLNSA-N 324.381 -0.116 30 20 DBED C#CCNC(=O)CC(=O)N1CCC(NCc2ncccn2)CC1 1200171100 QVTJKOGUUAJMIE-UHFFFAOYSA-N 315.377 -0.303 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCCO[C@@H](CNCCCO)C1 1200379764 QKYIIBDLYUCXNQ-DZGCQCFKSA-N 300.399 -0.097 30 20 DBED Cn1c(C(=O)N2CCCO[C@@H](CNCC#N)C2)cccc1=O 1201380079 AYNVQGZLKGRSIH-LBPRGKRZSA-N 304.350 -0.270 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)c2cn(C)nn2)C1 1207974679 JCGKOHVGOQBJBC-VXGBXAGGSA-N 320.397 -0.300 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)CCOCC#C)C1 1208028556 GGIRMCUISXNNOE-AWEZNQCLSA-N 305.378 -0.644 30 20 DBED CCN(C)C(C)(C)C(=O)N1CCC[C@@H](NCC(=O)NCC#N)C1 1208453235 BZBZTXKPYDKWIU-CYBMUJFWSA-N 323.441 -0.063 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)Cc1cnc[nH]1 1208913721 QKOXAKMKMBTIID-ZYHUDNBSSA-N 304.354 -0.972 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2CCO[C@H]2C=C)C1 1209708816 RRCOBQZEZYAFDS-ZNMIVQPWSA-N 319.405 -0.093 30 20 DBED Cc1n[nH]c(C)c1C(=O)N1CCC[C@@H](NCC(=O)NCC#N)C1 1210165918 SHORUVQXXPJBGB-GFCCVEGCSA-N 318.381 -0.139 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)c2cc(F)c[nH]2)[C@H](OC)C1 1213180005 OEKKVZJYHMXMLA-CHWSQXEVSA-N 324.356 -0.115 30 20 DBED C#CCNC(=O)CC(=O)N1CCO[C@@H]2CN(CC3CCC3)C[C@@H]21 1217684623 RZVPLIDFEIPTRB-LSDHHAIUSA-N 319.405 -0.162 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(Cc2cn(C(C)C)nn2)C[C@@H]1O 1219361982 MXVGKXPTCYWOIM-KGLIPLIRSA-N 323.397 -0.277 30 20 DBED CCCN(CCC)C(=O)CN1C[C@H](O)[C@H](NC(=O)[C@H](C)C#N)C1 1219379285 QKLWEHZRYYNICA-MCIONIFRSA-N 324.425 -0.044 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](NC(=O)CCN2C(=O)CCC2=O)C1 1219969156 MOZRQOSDHPBWRU-OLZOCXBDSA-N 323.393 -0.347 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)COC2CCN(C)CC2)C1 1220637950 PFPILJUVQQNYND-CABCVRRESA-N 311.426 -0.165 30 20 DBED N#CCNC(=O)CN1CC[C@@H]2CN(C(=O)[C@H]3CCOC3)[C@@H]2C1 1221387515 UCBNWUZQGPIXAG-FRRDWIJNSA-N 306.366 -0.805 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)N1C[C@H]2CCN(CC(N)=O)C[C@H]21 1221851942 KQAHGUPGNDOXIQ-HZSPNIEDSA-N 322.409 -0.525 30 20 DBED N#CCNC(=O)CN1CCC(NC(=O)C[C@@H]2CCOC2)CC1 1226691342 XTTDTDFRYMQMDZ-LBPRGKRZSA-N 308.382 -0.367 30 20 DBED C=CCNC(=O)[C@H](C)N1CCC(NC(=O)c2cn(C)nn2)CC1 1227152359 VBZSOIGLHLKZJC-NSHDSACASA-N 320.397 -0.300 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@@H]1CN(C)C(=O)c1cnccn1 1230637737 JOVJEPYTYLZOTF-CHWSQXEVSA-N 315.377 -0.239 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)CCCNC(=O)c1cnns1 1234489958 QVGYSNHZMZIIET-SNVBAGLBSA-N 309.395 -0.272 30 20 DBED COC(=O)[C@@]1(C)CCCN(C(=O)C(=O)N2CCO[C@@H](C#N)C2)C1 1261367826 NABLNGRLODZPMW-NHYWBVRUSA-N 323.349 -0.461 30 20 DBED C=CCOCCNC(=O)C(=O)N[C@@H]1CCOC[C@@H]1OCC 1261669417 KJLIGFWRGWSHSA-NEPJUHHUSA-N 300.355 -0.385 30 20 DBED COC1CC(C(=O)N[C@@H]2CCCN(CC(=O)NCC#N)C2)C1 1265216578 MNVVDZPITNGGKI-OTTFEQOBSA-N 308.382 -0.368 30 20 DBED CC(C)[C@@](C)(C#N)NC(=O)COC(=O)CN1CCC(=O)NC1=O 1318572295 FIMAGVMMQRHDFF-CQSZACIVSA-N 324.337 -0.474 30 20 DBED N#CCCNC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 1321101398 QAPAYFSMDQPPOC-VIFPVBQESA-N 312.351 -0.818 30 20 DBED CCNC(=O)C1(CNC(=O)C(=O)N2CCO[C@H](C#N)C2)CCC1 1323727395 FVYFQNCWHHDXCP-LLVKDONJSA-N 322.365 -0.840 30 20 DBED C[C@@H](O)CCN(C)C(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1332019824 SZHHBIWFFSGIEG-YPMHNXCESA-N 308.382 -0.586 30 20 DBED C#CCSCCNC(=O)C(=O)N1CC[C@H](C(=O)OCC)C1 1335804253 VEUJHVCTMZRSAJ-NSHDSACASA-N 312.391 -0.119 30 20 DBED CN(CC(=O)N1CCOCC1)C(=O)C(=O)N1CCC[C@@H](C#N)C1 1336293888 UOHCWOJZXLFZEN-LBPRGKRZSA-N 322.365 -0.934 30 20 DBED C=CCn1c(N2CCO[C@@H](C(=O)NC)C2)nnc1C(C)(C)O 1339170226 SAQJMKBLWNNODY-SNVBAGLBSA-N 309.370 -0.357 30 20 DBED O=C1C=CC=N/C1=C(/O)NCCN1C(=O)[C@H]2CCCN2C1=O 1339747661 PFVBIFOLONSMJL-JFJDQEMCSA-N 304.306 -0.061 30 20 DBED C=CCn1c([C@H]2CC=NO2)nnc1N1CCO[C@@H](C(=O)NC)C1 1342223995 AWCBFZVWADAEAF-GHMZBOCLSA-N 320.353 -0.138 30 20 DBED N#C[C@@H](C(=O)N1CCS(=O)(=O)CC1)C(=O)[C@]1(F)CCOC1 1343388265 ZQGAWKVVBZPCMA-SKDRFNHKSA-N 318.326 -0.919 30 20 DBED Cc1csc(CCNC(=O)C(=O)N2CCO[C@@H](C#N)C2)n1 1345103867 NHEGHPXPXINFJM-JTQLQIEISA-N 308.363 -0.139 30 20 DBED C=C[C@@H]1OCCC[C@H]1NC(=O)N(C)CCNS(C)(=O)=O 1348070659 HKKCRCKBEQDAJC-MNOVXSKESA-N 305.400 -0.089 30 20 DBED C[C@H](NC(=O)Cn1cc(C#N)c(O)nc1=O)C(C)(C)CN(C)C 1362233106 YGKJHZOMCQYSFH-JTQLQIEISA-N 321.381 -0.087 30 20 DBED COCCC1(NC(=O)Cn2cc(C#N)c(O)nc2=O)CCC1 1362783894 LDKYZAKXRGDVEU-UHFFFAOYSA-N 306.322 -0.104 30 20 DBED CO[C@@]1(C(=O)NCCn2cc(C#N)c(O)nc2=O)CCSC1 1363006159 UCDKGBZNTMRUCG-ZDUSSCGKSA-N 324.362 -0.541 30 20 DBED CCN(CCNC(=O)[C@H]1COCCO1)C(=O)c1ccc(C#N)[nH]1 1373759832 KZTHEOLVQFNMGY-CYBMUJFWSA-N 320.349 -0.120 30 20 DBED CC(=O)NCC(=O)N[C@@H](CNC(=O)c1cc(C#N)c[nH]1)C(C)C 1375970902 OQYSHFRKNFNOSG-ZDUSSCGKSA-N 319.365 -0.107 30 20 DBED C=C(Cl)CNC[C@H](C)NC(=O)Cn1ccc(=O)n(C)c1=O 1379510903 OVUWRXZBXHBSJC-JTQLQIEISA-N 314.773 -0.606 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CCN(C(=O)c2ccc3nn[nH]c3n2)C1 1385165903 XLODVNXETQAZGU-RKDXNWHRSA-N 313.321 -0.157 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)[C@@H]2CCS(=O)(=O)C2)CC1 1389901841 OPPMVQKTASPODK-NXEZZACHSA-N 313.379 -0.654 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)CC1 1389942363 VAPFLLVSJKFEMJ-MROQNXINSA-N 321.377 -0.037 30 20 DBED CC(=O)N[C@@H](C)C(=O)NC[C@@H](O)CNCc1ccc(C#N)cc1 1392351398 NIIPYVIJEGNGCQ-NHYWBVRUSA-N 318.377 -0.350 30 20 DBED C[C@@H](C#N)C(=O)NC1CCN(C(=O)c2cn(C)c(=O)n2C)CC1 1396827318 LTFVQBMZXLCJMO-JTQLQIEISA-N 319.365 -0.396 30 20 DBED N#Cc1ccc(C(=O)NC[C@H](O)CNC(=O)c2cccnc2)[nH]1 1399749380 GCHPVKPHTSFDSB-GFCCVEGCSA-N 313.317 -0.198 30 20 DBED C[C@H](C#N)C(=O)NCC1CCN(C(=O)[C@H]2CC(=O)N(C)C2)CC1 1407342929 XHFPHOIUCLUHFN-YPMHNXCESA-N 320.393 -0.021 30 20 DBED C=C(Cl)CNC[C@@H](O)CN(C)C(=O)CN1CCCNC1=O 1411052794 GCEOREBLPSCZCO-LLVKDONJSA-N 318.805 -0.437 30 20 DBED C[C@H]1CN(C)[C@H](C)CN1C(=O)Cn1cc(C#N)c(O)nc1=O 1412715925 ZTBJQZVBRDZFPL-ZJUUUORDSA-N 305.338 -0.628 30 20 DBED Cc1ccn(CC(=O)NC[C@@H](C)NC(=O)[C@@H](C)C#N)c(=O)c1 1415162916 SRBXFNYWDYNPBI-NWDGAFQWSA-N 304.350 -0.063 30 20 DBED C[C@H](CNC(=O)c1cccc(C(N)=O)n1)CNC(=O)[C@@H](C)C#N 1416474051 OJWIUGGQIHOLIE-UWVGGRQHSA-N 317.349 -0.178 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1cc2cccn2cn1 1416772331 QWMWQCJPDPZFJK-CMPLNLGQSA-N 315.333 -0.299 30 20 DBED COc1cccc(CC(=O)NC[C@@H](O)CNC(=O)[C@@H](C)C#N)c1 1416783051 UXVBVKFOFHPJKW-WCQYABFASA-N 319.361 -0.009 30 20 DBED CCN1C[C@@H](C)N(C(=O)Cn2cc(C#N)c(O)nc2=O)C[C@@H]1C 1417698799 YSNUAWSBNVQPRQ-WDEREUQCSA-N 319.365 -0.238 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)[C@H]2CCCN(C(N)=O)C2)CC1 1432230481 DFDVTVBLBWBNNF-MNOVXSKESA-N 321.381 -0.298 30 20 DBED CNC(=O)NCC(=O)NC[C@]1(C)CCCN(C(=O)[C@H](C)C#N)C1 1434311501 SPPAYLXVCKGMEI-ABAIWWIYSA-N 323.397 -0.180 30 20 DBED N#Cc1cn(CCNS(=O)(=O)CCCF)c(=O)nc1O 1434589328 SKMOCKBPUNWKDE-UHFFFAOYSA-N 304.303 -0.900 30 20 DBED Cc1cc(=O)c(C(=O)N(C)C[C@H](O)CNC(=O)[C@H](C)C#N)c[nH]1 1451928296 NVVOEIWRZQYQCE-MWLCHTKSSA-N 320.349 -0.608 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]1CNC(=O)CCCS(C)(=O)=O 1453204189 PCRDTEKDSAWPRT-MNOVXSKESA-N 315.395 -0.312 30 20 DBED Cc1nn2cccnc2c1S(=O)(=O)N1CCOC[C@@H]1C#N 1463104364 ZOUFSRNURUBVBN-JTQLQIEISA-N 307.335 -0.049 30 20 DBED CNC(=O)NCCC(=O)N(C)C[C@H]1CCN1C(=O)[C@@H](C)C#N 1489738148 FOCGGJKXYUHREC-WDEREUQCSA-N 309.370 -0.476 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)c2cc(=O)n(C)cn2)CC1 1506123884 ITGCJUMOMGLEHT-VIFPVBQESA-N 303.322 -0.681 30 20 DBED CO[C@H](C)CC(=O)NC[C@H](O)CN(C)C(=O)c1cc(C#N)c[nH]1 1511516718 SJVWBZONMBJYAR-PWSUYJOCSA-N 322.365 -0.140 30 20 DBED COc1cc(C(=O)NC[C@@]2(O)CCN(C(=O)[C@H](C)C#N)C2)on1 1537342542 KUJLODVTEZUNMJ-OTYXRUKQSA-N 322.321 -0.464 30 20 DBED COC[C@@]1(CO)CCN(c2cnc(C#N)c(-c3nn[nH]n3)n2)C1 1579746783 HWDFZGIRVJALLT-ZDUSSCGKSA-N 316.325 -0.636 30 20 DBED N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)[C@]12CNC[C@@H]1C2 1580057413 UENGZEJJTPNUGE-LKFCYVNXSA-N 302.338 -0.334 30 20 DBED C[C@@](C#N)(CC(=O)O)C(=O)NC1CC(NS(C)(=O)=O)C1 1588538648 LXLOJJVPNBXEFA-AYVLWNQUSA-N 303.340 -0.813 30 20 DBED CC(C)C[C@H](NC(=O)Cn1cc(C#N)c(O)nc1=O)C(=O)O 1588899262 AONMZGQWDFMGQD-VIFPVBQESA-N 308.294 -0.564 30 20 DBED C[C@](O)(CNC(=O)C(=O)Nc1ccc(F)cc1C#N)C(=O)O 1589138564 RDJILJZGTKHPBO-ZDUSSCGKSA-N 309.253 -0.412 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N[C@H](C[C@H]1CCCO1)C(=O)O 1589330547 JJGJQEDGRPZCNS-GMTAPVOTSA-N 319.383 -0.065 30 20 DBED CCOC(=O)CON=C(C(=O)N1CC(C(=O)O)C1)c1cc[nH]n1 1590648503 QULRTSBTEMSYAM-UHFFFAOYSA-N 324.293 -0.764 30 20 DBED CCN(CCC#N)C(=O)Cn1cccc(-c2nn[nH]n2)c1=O 1590690931 MREZZHSKTHOUKC-UHFFFAOYSA-N 301.310 -0.209 30 20 DBED N#C[C@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)C1CCCC1 1592669789 UKNVBXJUHCJSTD-VIFPVBQESA-N 301.314 -0.343 30 20 DBED N#CCN(CC(=O)O)C(=O)CS[C@H]1CCS(=O)(=O)C1 1601069551 NAXGFJYWWSTAMZ-QMMMGPOBSA-N 306.365 -0.657 30 20 DBED CN(CCNc1cc(-c2nn[nH]n2)ncn1)c1cc(C#N)ncn1 1604773632 VAPZDQIEPKLYRM-UHFFFAOYSA-N 323.324 -0.133 30 20 DBED CCOC(=O)[C@H]1CCCN(CC(=O)N(CC#N)CC(=O)O)C1 1605527406 XCUUKIPLYLXQBS-NSHDSACASA-N 311.338 -0.302 30 20 DBED N#CCN[C@H]1CCCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1606349527 CHHQTHPCFHVGHZ-JTQLQIEISA-N 300.326 -0.087 30 20 DBED COC(=O)CN(CC(=O)O)Cc1cnc2c(C#N)cnn2c1 1606467992 MVIHUADRPBNTQK-UHFFFAOYSA-N 303.278 -0.339 30 20 DBED COCC#CCN[C@@H](C)CCNC(=O)C(C)(C)S(C)(=O)=O 1700327101 PDVWMHQOJYEXMC-LBPRGKRZSA-N 318.439 -0.056 30 20 DBED N#CCNC(=O)CNC[C@H]1CCCN(C(=O)c2ccon2)C1 1752792664 CDFOYBYPOLSQPT-LLVKDONJSA-N 305.338 -0.244 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@H]1CCCN1Cc1nc(=O)n(C)[nH]1 1753106351 WTTWKLUQLFUCSS-IAQYHMDHSA-N 323.397 -0.484 30 20 DBED C=C[C@@](C)(O)CC(=O)N(C)CCNCC(=O)Nc1cnccn1 1753184900 YIDOHCDYAJVRPE-OAHLLOKOSA-N 321.381 -0.210 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)NCC1CN([C@@H](CC)C(N)=O)C1 1753411228 HBRDLXUOETXBGB-KGLIPLIRSA-N 324.425 -0.231 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@H](C)N(C)C(=O)CCn1cncn1 1753679824 SHHZJNBYWFFRRL-QWHCGFSZSA-N 320.397 -0.757 30 20 DBED C#CCNC(=O)CNCCN(CC)C(=O)c1n[nH]c(C)c1O 1754049841 YQIAVRUHKPXJQF-UHFFFAOYSA-N 307.354 -0.775 30 20 DBED C#CCCN1CC[C@@H]1CNC(=O)[C@@H](NS(C)(=O)=O)C(C)C 1754498432 WAMJQMVXCYMTRG-OLZOCXBDSA-N 315.439 -0.226 30 20 DBED C=CCNC(=O)NC(=O)CN1CC(N(C)C(=O)c2cc[nH]n2)C1 1754569636 SPGBXIHYZDYOHR-UHFFFAOYSA-N 320.353 -0.822 30 20 DBED C#CCCN1CC[C@](O)(CNC(=O)[C@@H]2CCCN2CC#C)C1 1754755188 VHLFBXFKLOKDRE-RDJZCZTQSA-N 303.406 -0.340 30 20 DBED C#CCNC(=O)CNCC[C@@H]1CCN(C(=O)[C@H](C)OCC#C)C1 1754914801 MYFQTFGXDJICEO-LSDHHAIUSA-N 319.405 -0.398 30 20 DBED C#CCCN1CCOC[C@H]1CNC(=O)C(=O)Nc1cc(C)on1 1754973569 DSNPOKMFAMZHGR-GFCCVEGCSA-N 320.349 -0.238 30 20 DBED C#CCNC(=O)CNC1(CNC(=O)[C@H]2CCCOC2)CCC1 1754978756 QXBSQCSXFVEXTF-ZDUSSCGKSA-N 307.394 -0.209 30 20 DBED Cc1noc(C)c1CC(=O)N[C@H](C)[C@@H](C)NCC(=O)NCC#N 1755266157 DQJCLWZKDCBMKG-NXEZZACHSA-N 321.381 -0.043 30 20 DBED C#CCOCCC(=O)NC[C@@H](C)N(C)[C@H]1CCC(=O)NC1=O 1755299633 FPHRYRQWGOOAFO-NEPJUHHUSA-N 309.366 -0.732 30 20 DBED C#CCN[C@@H](C)[C@H]1CN(C(=O)c2nc(C)c(C)[nH]c2=O)CCO1 1755445104 PTHUEFIUGHRIQN-QWHCGFSZSA-N 318.377 -0.161 30 20 DBED N#CCNCCC(=O)NC[C@@H]1CCCCN1C(=O)c1nc[nH]n1 1755867430 MCKVTDGBZVTIDE-NSHDSACASA-N 319.369 -0.581 30 20 DBED C=CCOCC(=O)NC1(CCO)CN(C(=O)[C@@H](C)OC)C1 1756078520 SKPKDZILDXZEBR-LLVKDONJSA-N 300.355 -0.697 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H](NC(=O)[C@@H](C)C#N)C(C)(C)C1 1756183169 JBZKLPGOJIWETR-RYUDHWBXSA-N 318.377 -0.361 30 20 DBED C=CCOCC(=O)N(CC)[C@H](C)CNC(=O)[C@H]1CNC(=O)N1 1756860278 GKOWERBIEODKPO-GHMZBOCLSA-N 312.370 -0.776 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ncccn2)C1 1757026953 MOHPMJPAWKXOTK-VXGBXAGGSA-N 302.334 -0.563 30 20 DBED C[C@@H](C#N)C(=O)NCc1nc2c(s1)CCN(C(=O)C(N)=O)C2 1757550566 XWHDNUOQOZBPAT-ZETCQYMHSA-N 321.362 -0.711 30 20 DBED COC(=O)CCN(CC(=O)O)S(=O)(=O)CC1(CC#N)CC1 1777104706 NSMOQVPDEPSCMZ-UHFFFAOYSA-N 318.351 -0.040 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)=O)C2 1793356124 XXCLAAKJCFJSST-FQUUOJAGSA-N 324.377 -0.244 30 20 DBED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)CN 1795518872 RZPNJICXRVMSAI-GUIRCDHDSA-N 307.394 -0.416 30 20 DBED N#Cc1c[nH]c(C(=O)N2CCCC23CN(C(=O)C(O)O)C3)c1 1844794811 PWXJDKHRIHZCEH-UHFFFAOYSA-N 304.306 -0.986 30 20 DBED CN(C)C(=O)NCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CC#N 1847343490 LKPZNNTZVRXKTL-QWRGUYRKSA-N 307.354 -0.627 30 20 DBED CCn1cc(C#N)c(=O)n(CC(=O)NCc2ccco2)c1=O 26158003 OAZIEJVLQDGOMW-UHFFFAOYSA-N 302.290 -0.189 30 20 DBED C=CCN(CC(=O)NC(=O)NCC)[C@H]1CCS(=O)(=O)C1 66561261 FJPRCGCBSNZRHA-JTQLQIEISA-N 303.384 -0.493 30 20 DBED CN(C)CCCN(CCC#N)C(=O)Cn1ccc(=O)n(C)c1=O 68233191 QDRLVZNUIXWYHK-UHFFFAOYSA-N 321.381 -0.759 30 20 DBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)NC1CC1 268058374 CDNDPSUJTKPTAI-SNVBAGLBSA-N 314.349 -0.336 30 20 DBED N#Cc1ccncc1N1CCN(C(=O)CN2CCOCC2)CC1 269981538 RAXSKSYDMVYVJE-UHFFFAOYSA-N 315.377 -0.066 30 20 DBED CCC[C@H]1C(=O)NCCN1c1c(C#N)c(=O)n(C)c(=O)n1C 270785662 KRULDTBQANMCFM-JTQLQIEISA-N 305.338 -0.939 30 20 DBED N#Cc1ccnc(N2CCN(C(=O)CN3CCOCC3)CC2)c1 272537039 BPVHPRCLOXHANL-UHFFFAOYSA-N 315.377 -0.066 30 20 DBED CCOC(=O)N1CC[C@@H](Nc2c(C#N)c(=O)n(C)c(=O)n2C)C1 274534331 ZJKPCYVASFXBHQ-SECBINFHSA-N 321.337 -0.402 30 20 DBED CCN1CCC[C@H]1CN/C(N)=N/CCn1cc(C(=O)OC)nn1 284040611 ORZDFCFUFSHXBK-NSHDSACASA-N 323.401 -0.547 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(CC)C[C@@H]2C)C1=O 288504154 QLJOVLWPVODWMK-NSHDSACASA-N 322.365 -0.484 30 20 DBED N#Cc1cncc(S(=O)(=O)NCCCN2CCNCC2)c1 315211331 YODMPWNUKHPGEX-UHFFFAOYSA-N 309.395 -0.473 30 20 DBED O=C(CN/C(O)=N/C[C@@H]1CCc2nccn2C1)N1CCOCC1 329904277 JAOZIEGYVJETMO-LBPRGKRZSA-N 321.381 -0.192 30 20 DBED CN1C[C@H](/N=C(/O)N(C)[C@H]2CCN(S(C)(=O)=O)C2)CC1=O 330199657 VSEKSMKQHMLCOP-ZJUUUORDSA-N 318.399 -0.903 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCS(=O)(=O)C[C@H]1C 337081428 YKLFOWKBJHPMGI-WDEREUQCSA-N 323.440 -0.168 30 20 DBED C[C@@H](CN1CCOCC1)NC(=O)C(=O)N1CCC(C#N)CC1 340251237 IHLCJVFBWSIXNY-LBPRGKRZSA-N 308.382 -0.415 30 20 DBED COC[C@@H](NC(=O)NCCn1cnc(C#N)n1)[C@H]1CCCO1 346320313 MKKUVKGTNURMHP-GHMZBOCLSA-N 308.342 -0.357 30 20 DBED CS(=O)(=O)CCC(=O)N(CCC#N)CCN1CCOCC1 357990058 DLKURVWRCFJFPO-UHFFFAOYSA-N 317.411 -0.504 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCN2C(=O)OC[C@H]2C1 374463286 UHDFGTPWWLAYNQ-GHMZBOCLSA-N 316.383 -0.151 30 20 DBED C[C@H](Cc1cnn(C)c1)Nc1c(C#N)c(=O)n(C)c(=O)n1C 450839104 ZUQDIXXYMCPFNF-SECBINFHSA-N 302.338 -0.268 30 20 DBED C#CCN(CC#CC)CC(=O)c1c(O)nc(=O)n(CC)c1N 490865545 DLWLMFNREBXVKM-UHFFFAOYSA-N 302.334 -0.308 30 20 DBED C#C[C@H](CC)NC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 491517134 XKNSBLIYGWZHAZ-UTUOFQBUSA-N 312.391 -0.450 30 20 DBED N#Cc1ncn(CC(=O)NCCN2C(=O)c3ccccc3C2=O)n1 495074832 NXORJLICSZWBOQ-UHFFFAOYSA-N 324.300 -0.438 30 20 DBED CC(C)NC(=O)OC1CN(S(=O)(=O)N(C)CCC#N)C1 496454705 NAEDKQRZCWQZPB-UHFFFAOYSA-N 304.372 -0.105 30 20 DBED CN1CCN(C(=O)C(=O)Nc2cnc(C#N)c(Cl)c2)CC1=O 568054594 WZQKSKYRDZXUEY-UHFFFAOYSA-N 321.724 -0.154 30 20 DBED C[C@H]1CN(C(=O)Nc2nn(C)cc2C#N)C[C@@H](C)S1(=O)=O 589333131 WIFYFDSYIPXAGW-DTORHVGOSA-N 311.367 0.331 30 20 DBED CN1C(=O)N[C@@]2(CCC[C@H]2CN=c2cc[nH]c(C#N)n2)C1=O 594553072 RHTCQDIUVYQPLR-LKFCYVNXSA-N 300.322 -0.097 30 20 DBED CO[C@@H]1CS(=O)(=O)C[C@@H]1NS(=O)(=O)c1ccc(C#N)o1 594820952 FAFRKFMJMBEVFC-DTWKUNHWSA-N 320.348 -0.758 30 20 DBED C=CCNC(=O)NC(=O)CN1CC[C@H](CN2CCCC2=O)C1 595833959 WPJNCIPCGFXDHN-LBPRGKRZSA-N 308.382 -0.058 30 20 DBED Cc1nccn1CCNC(=O)C(=O)N1CCN(CCC#N)CC1 602240643 CZKSEYYPWGNHRV-UHFFFAOYSA-N 318.381 -0.634 30 20 DBED CO[C@H]1CN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CCO1 602900130 SPOQIBYVGGMTPH-GOEBONIOSA-N 324.425 -0.017 30 20 DBED Cc1nnc(N2CCN(CC(=O)NC3(C#N)CCC3)CC2)n1C 602940618 GDXXZWGBRGJKDM-UHFFFAOYSA-N 317.397 -0.192 30 20 DBED CCOc1ccc(C#N)cc1NC(=O)C(=O)NCc1nn[nH]n1 609953655 QIDLANRZFQEAFA-UHFFFAOYSA-N 315.293 -0.275 30 20 DBED N#CC1(CNC(=O)CNS(=O)(=O)c2ccccc2N)CC1 613726259 RCUABDMJJHXIOB-UHFFFAOYSA-N 308.363 -0.033 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N[C@H](C)[C@H]1CN(C)CCO1 619712242 MGPDKICBUHKYQG-IJLUTSLNSA-N 304.416 -0.369 30 20 DBED C=C[C@@H](O)C(=O)N1CCN([C@H](C(N)=O)c2ccccc2)CC1 665825407 CSDKUNSTPLGPNK-KGLIPLIRSA-N 303.362 -0.096 30 20 DBED C=CCCOCCNC(=O)C(=O)N[C@@H](C)[C@H]1CN(C)CCO1 673595920 XGANCCZJMQGSTQ-QWHCGFSZSA-N 313.398 -0.469 30 20 DBED C#CCCCNC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 742786155 JOMQNWXWIPKIHH-NWDGAFQWSA-N 312.391 -0.448 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCN(c2cnn(C)c2)C(=O)C1 750072920 VCZYFRJXVBNWPF-AWEZNQCLSA-N 315.377 -0.307 30 20 DBED COCC(=O)N[C@H](C(=O)NS(=O)(=O)CCCC#N)C(C)C 776119357 MLMBEOZZJVSOTP-NSHDSACASA-N 319.383 -0.477 30 20 DBED C#CCC[C@@H](O)CNC(=O)c1cnc2c(c1)c(O)nc(=O)n2C 799070291 LIJJBFLHRYUSGS-SNVBAGLBSA-N 316.317 -0.462 30 20 DBED C#CCNS(=O)(=O)N1CCN(CCOCC(C)C)CC1 800366638 HCBICQLUMFSMLW-UHFFFAOYSA-N 303.428 -0.256 30 20 DBED C#C[C@@H](NC(=O)C(=O)NCCc1ccnn1C)[C@@H]1CCCO1 808018695 ODHJJXXUUSVXAQ-OLZOCXBDSA-N 304.350 -0.624 30 20 DBED N#Cc1cncc(S(=O)(=O)NC(=O)c2cc3n(n2)CCO3)c1 813980124 RJBMUTCQMGMEHJ-UHFFFAOYSA-N 319.302 -0.339 30 20 DBED C=CCN(C)C(=O)C(=O)N1C[C@@H](C(=O)OCC)C2(COC2)C1 839231591 YWSWMSCSSZCNSW-NSHDSACASA-N 310.350 -0.331 30 20 DBED CCOCCCNC(=O)[C@@H](C#N)C(=O)Cn1nc(C)n(C)c1=O 847621846 TWLCVSYMCXMPHY-NSHDSACASA-N 323.353 -0.858 30 20 DBED CCCCCNC(=O)[C@@H](C#N)C(=O)Cn1nc(C)n(C)c1=O 847622784 TVRKEIDJHCXNHS-NSHDSACASA-N 307.354 -0.095 30 20 DBED COC(=O)c1ccc(NC[C@@H]2CC(C(N)=O)=NO2)c(C#N)n1 848687269 ZGCRIHPYWUGGAH-ZETCQYMHSA-N 303.278 -0.218 30 20 DBED COC(=O)CCN1CC[C@@H](n2ccc(C=NO)nc2=O)C1=O 853670885 WTVIGXGIKKOKMU-SNVBAGLBSA-N 308.294 -0.612 30 20 DBED COC[C@@H](O)C(=O)OCC#CCN1C(=O)c2ccccc2C1=O 859615827 LXNWXBHNKPTSNV-CYBMUJFWSA-N 317.297 -0.164 30 20 DBED C#CC[C@@H](CCOC)NC(=O)CN1C(=O)C(=O)N(CC=C)C1=O 863788271 LZBRDUZEEMQABL-NSHDSACASA-N 321.333 -0.492 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N[C@@H]1CCc2c[nH]nc2C1 875218481 BSZXVCIJSSLLND-QWHCGFSZSA-N 318.377 -0.072 30 20 DBED C#CCN1CCC[C@@H](NC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)C1 885508188 CVGRPGHPUCMWBJ-CHWSQXEVSA-N 313.423 -0.088 30 20 DBED C#CC1(O)CN(C(=O)CNS(=O)(=O)c2cc(C)ccc2C)C1 890519141 GLOZUTHLZXJKOB-UHFFFAOYSA-N 322.386 -0.212 30 20 DBED C=CCC1(O)CCN(C(=O)NCC(=O)N2CCNCC2)CC1 891971485 PYCKHZGOCIHFHV-UHFFFAOYSA-N 310.398 -0.469 30 20 DBED C#CC1(O)CN(C(=O)NCCN2C(=O)c3ccccc3C2=O)C1 892259479 AECKXKYDCXYAMO-UHFFFAOYSA-N 313.313 -0.328 30 20 DBED C#CC1(O)CN(S(=O)(=O)[C@H]2CCCC[C@H]2C(=O)OC)C1 908228608 QBFSAWYMODFZKU-MNOVXSKESA-N 301.364 -0.272 30 20 DBED C#CCN1CCC(NC(=O)[C@@H](CCC)S(N)(=O)=O)CC1 928653156 BBRWYZPXGGQVTD-GFCCVEGCSA-N 301.412 -0.343 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)c2cnc3[nH]nnc3c2)C1 938133948 KZNCBDSLKIRUAS-WPRPVWTQSA-N 313.321 -0.157 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2cnn[nH]2)C1 938240019 ZFTVPBRSUSPAIQ-AAEUAGOBSA-N 316.365 -0.767 30 20 DBED CN1CC[C@H](C(=O)N[C@@H]2CCN(C(=O)C#CC3CC3)C2)CC1=O 941415174 GIMKRFXQIFJNPX-UONOGXRCSA-N 317.389 -0.015 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)C(N)=O)[C@H](C)C2)nc1 945428564 KYYGDMKCSWGDJY-ZYHUDNBSSA-N 314.345 -0.485 30 20 DBED C[C@@H]1C[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)CCN1CC#N 947762859 ZSKGVKBVBJVRMC-GHMZBOCLSA-N 319.365 -0.810 30 20 DBED C=CCCN1CCC2(CC1)CN(C(=O)[C@@H]1CNC(=O)N1)CCO2 949174597 YHDWJPPSELVMJA-ZDUSSCGKSA-N 322.409 -0.063 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]1CNC(=O)c1ccc(=O)n(C)c1 951005718 SHCQPGKRUNTMPA-CMPLNLGQSA-N 302.334 -0.124 30 20 DBED C[C@H](C#N)C(=O)N1CC(N(C)C(=O)c2nccnc2C(N)=O)C1 954247542 YYZQAVVCSHLTFS-MRVPVSSYSA-N 316.321 -0.982 30 20 DBED COc1c(C(=O)N(C)C2CN(C(=O)[C@@H](C)C#N)C2)cnn1C 954934447 BOXDGLDSGMRXJH-VIFPVBQESA-N 305.338 -0.129 30 20 DBED CC(=O)Nc1nc(C(=O)NC[C@H]2CN(CC#N)C[C@H]2O)cs1 958199125 DFILSWDGRUIGDD-GXSJLCMTSA-N 323.378 -0.352 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](NC(=O)C2CC(=O)NC(=O)C2)[C@H](C)C1 958367798 BDLIABXADBBHML-IQJOONFLSA-N 320.349 -0.838 30 20 DBED C=C(C)CN1C[C@@H](O)[C@@H](CNC(=O)C2CC(=O)NC(=O)C2)C1 958476340 ITOIMPLCEYYKEC-NWDGAFQWSA-N 309.366 -0.976 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2CN(CCCO)C[C@H]2O)cn1 958603630 ZWCOBDOLTFXVPQ-DZGCQCFKSA-N 303.362 -0.532 30 20 DBED CC#CCN1C[C@H](O)[C@H](CNC(=O)c2cccc(C(N)=O)n2)C1 958736890 VLRHYLIOYOTKJC-RISCZKNCSA-N 316.361 -0.774 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CN(C(=O)CS(C)(=O)=O)C[C@H]2C1 961127464 IKMOVPYNYRJCNG-GARJFASQSA-N 313.379 -0.893 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@H](NC(=O)[C@@H]2COCCO2)C1 961655283 KKUXWVXKDOJPTP-WOPDTQHZSA-N 312.366 -0.698 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(C[C@H](NC(=O)c3cncn3C)CO2)C1 965732632 LJCPTJCBCOYKMG-QWRGUYRKSA-N 317.349 -0.321 30 20 DBED C#CCN(C)[C@@H]1CCN(C(=O)c2ccc(S(N)(=O)=O)o2)C1 971862045 XJHCXCWAOOLCEC-SNVBAGLBSA-N 311.363 -0.294 30 20 DBED C=CCN(C)[C@H]1CCN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 972567441 HMZVBPVDLDMMOF-NSHDSACASA-N 316.365 -0.210 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2nc[nH]n2)C1 974265552 OHWPECSZSGMMSQ-TUAOUCFPSA-N 316.365 -0.721 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)c3ncn(C)n3)C[C@H]21 974976238 UGLOEGGUSCXLKG-GMTAPVOTSA-N 302.338 -0.352 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCC1[C@H]2CN(CCCO)C[C@H]12 978287108 YJEIDQLRRWELPS-OAGGEKHMSA-N 305.422 -0.240 30 20 DBED C#CCN1C[C@H]2[C@H](CNC(=O)c3coc(S(N)(=O)=O)c3)[C@H]2C1 978344799 AFNIWWIVWVMLDM-CNDDSTCGSA-N 323.374 -0.532 30 20 DBED C#CCN1C[C@@H]2CC[C@@H](NC(=O)Cn3ncn(C)c3=O)C[C@H]2C1 980089150 XFMRNGLFZJFDPA-MELADBBJSA-N 317.393 -0.568 30 20 DBED Cn1nncc1C(=O)NC[C@@H]1CCN(C(=O)C#CC2CC2)C1 982742557 PYEYQTUNJVHGNR-LBPRGKRZSA-N 301.350 -0.193 30 20 DBED COC(=O)[C@@H]1C[C@H]1C(=O)NC1CN(C(=O)c2cc(C#N)c[nH]2)C1 990456685 MVFVHEZTYXLOJN-GHMZBOCLSA-N 316.317 -0.364 30 20 DBED C=CCCn1cc(C(=O)NC2CN(C(=O)[C@@H](C)OC)C2)nn1 991980520 ZRBUOEKOKLMERH-SNVBAGLBSA-N 307.354 -0.170 30 20 DBED C[C@H](C#N)C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cnnn1C 996207271 XHPSAYCPWXUCGO-ZNSHCXBVSA-N 302.338 -0.164 30 20 DBED C=C[C@@](C)(CC)C(=O)N1CC(NC(=O)CN2CCNC(=O)C2)C1 997401482 SLCGBTHKEDANMR-INIZCTEOSA-N 322.409 -0.653 30 20 DBED C[C@H]1CCN(C(=O)C#CC2CC2)C[C@H]1NC(=O)Cn1ncnn1 1004886694 XCYJFIYTPWEJHU-WCQYABFASA-N 316.365 -0.560 30 20 DBED Cn1nnc(CN2CCC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)n1 1007135066 UJPNEPSBHBRYDF-NSHDSACASA-N 314.353 -0.196 30 20 DBED C[C@H]1C[C@H](CNC(=O)c2ccc(C#N)[nH]2)CN1C(=O)CC(N)=O 1010062762 DABRXZNAAXLQAL-VHSXEESVSA-N 317.349 -0.271 30 20 DBED C[C@@H](C(=O)N1CCN(C(=O)C#CC2CC2)CC1)S(C)(=O)=O 1011107960 WKFXRXCKPCYNSV-NSHDSACASA-N 312.391 -0.496 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C(=O)[C@H](C)N2CCOCC2)CC1 1011466037 FERLWSJRCMPUQQ-STQMWFEESA-N 308.382 -0.462 30 20 DBED C[C@H]1[C@H](NC(=O)Cn2cnnc2O)CCN1C(=O)C#CC1CC1 1011738156 DOHYZSJKCSQFCD-CMPLNLGQSA-N 317.349 -0.497 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C(=O)c2nc3ncccn3n2)CC1 1012160374 YSTPQAAIDQEVGA-JTQLQIEISA-N 313.321 -0.432 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H]2C(NC(=O)Cn3cnnc3O)[C@@H]2C1 1012988089 NOGPZNSMTJIERU-NXEZZACHSA-N 319.365 -0.231 30 20 DBED C=CCCn1cc(C(=O)N[C@H]2CCN([C@H](C)C(=O)NC)C2)nn1 1015821631 YCLKHFBLDYLPPW-NEPJUHHUSA-N 320.397 -0.207 30 20 DBED O=C([C@@H]1COCCO1)N1C[C@@H]2CCN(C(=O)C#CC3CC3)[C@@H]2C1 1021588455 WIHFPWUWYKBEGR-ZNMIVQPWSA-N 318.373 -0.126 30 20 DBED N#CCN1CC[C@H]2[C@@H](CCCN2C(=O)CN2CCNC(=O)C2)C1 1021650861 BJVJEPSVGHZRHE-KBPBESRZSA-N 319.409 -0.745 30 20 DBED C=CCn1cc(C(=O)N[C@H]2C[C@@H](N[C@@H]3CCNC3=O)C2)nn1 1022824462 CIFMJUCJLWISFN-OUAUKWLOSA-N 304.354 -0.797 30 20 DBED CC(C)(F)C(=O)N[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1O 1022889921 GZQCSUHFSCDXRQ-GHMZBOCLSA-N 308.313 -0.064 30 20 DBED N#Cc1cc(C(=O)N2C[C@H]3CC[C@H]2[C@H](NC(=O)C(N)=O)C3)c[nH]1 1026001734 FWFUCEPFWHAARK-AXTRIDKLSA-N 315.333 -0.519 30 20 DBED COc1c(O)nc(O)nc1C(=O)NC[C@H]1CCCN1CC#N 1028258345 QJPYOMYZJLKYQB-MRVPVSSYSA-N 307.310 -0.386 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN(CCc2ccnn2C)C1 1030464097 GWBWATFOUJYADC-INIZCTEOSA-N 315.421 -0.139 30 20 DBED C#Cc1ccc(C(=O)NC2CN(CCS(C)(=O)=O)C2)cn1 1031277671 MXCFPRDCTTVJLE-UHFFFAOYSA-N 307.375 -0.479 30 20 DBED C=C(Br)CN1CC(NC(=O)Cn2cncn2)C1 1031356665 ITHFYIXNLLFGFO-UHFFFAOYSA-N 300.160 -0.013 30 20 DBED C=CCCN1CC[C@@H](N(C)C(=O)Cn2nc(C)n(C)c2=O)C1 1033626963 XHOBHMYCMBEDOO-CYBMUJFWSA-N 307.398 -0.001 30 20 DBED CN1CC(=O)N(CC(=O)N[C@@H]2CCCCN(CC#N)C2)C1=O 1034519002 AGAQOOHQSMHFJZ-LLVKDONJSA-N 307.354 -0.625 30 20 DBED C=CCN1CC[C@H]2CN(C(=O)Cn3ncn(C)c3=O)CC[C@@H]21 1036753686 UVJWACBCFGEEEM-STQMWFEESA-N 305.382 -0.309 30 20 DBED C#CCN1CC[C@H]2CN(C(=O)C3CC(=O)NC(=O)C3)CC[C@H]21 1036841893 GYRAUZYJDJRTBM-WCQYABFASA-N 303.362 -0.405 30 20 DBED CC[C@@H]1CN(C(=O)c2cn(CC(N)=O)nn2)CC[C@H]1NCC#N 1037984353 RDNFBDPWRIMGPT-GHMZBOCLSA-N 319.369 -0.883 30 20 DBED C=CCCC(=O)N1CC[C@](O)(CNC(=O)c2cnn(CC)n2)C1 1039631707 ITTQCSLFRNMZNE-HNNXBMFYSA-N 321.381 -0.043 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@]1(O)CCN(C(=O)CC2CC2)C1 1039720932 GPDRIKMHNKFSCD-LRDDRELGSA-N 308.378 -0.096 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC[C@](O)(CNC(=O)c2cnco2)C1 1040389376 YEAVVCMWAXWYRP-CABCVRRESA-N 323.349 -0.305 30 20 DBED CC(C)C#CC(=O)N1CC[C@](O)(CNC(=O)[C@@H](C)CC(N)=O)C1 1040474952 DEJSYLVVEGFKLQ-LRDDRELGSA-N 323.393 -0.763 30 20 DBED N#Cc1nccc(N2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CCOC3)C2)n1 1040961080 AQZUZGAQHODDQL-QJPTWQEYSA-N 317.349 -0.559 30 20 DBED C#CCN1CC[C@H]2CCN(C(=O)CN3CCOCC3=O)C[C@@H]21 1042096114 BALGVTAACBLBKB-KBPBESRZSA-N 305.378 -0.599 30 20 DBED C=CCN1CC[C@@H]2CCN(C(=O)CN3CC(=O)N(C)C3=O)C[C@H]21 1042311058 DXMUZWGVJMJCFG-CHWSQXEVSA-N 320.393 -0.011 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)C[C@H]2COC(=O)C2)C1 1042554017 GHSZEJDGFFMKNB-LLVKDONJSA-N 310.350 -0.405 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)c2cn(C)c(O)n2)C1 1042801169 FQGOLYUTRQLYLN-UHFFFAOYSA-N 320.349 -0.768 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@@H]2OCC)C1 1042802905 OZFNTMWSDIVUPM-OLZOCXBDSA-N 308.378 -0.096 30 20 DBED C=C(C)CCC(=O)N1CC(O)(CNC(=O)c2cnnn2C)C1 1042847912 KXFXYWDDKJJMMD-UHFFFAOYSA-N 307.354 -0.526 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(O)(CNC(=O)c2ncc[nH]2)C1 1042934617 DHHVDBZIRFIVHO-MNOVXSKESA-N 320.349 -0.696 30 20 DBED C=C(C)CCC(=O)NCC1(O)CN(C(=O)COCCOC)C1 1043312336 QZOBKIYSYUSVRE-UHFFFAOYSA-N 314.382 -0.305 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H]2CN(c3cnc(C#N)cn3)C[C@@H]21 1043680713 LMAVFJYZWUSNEA-WCFLWFBJSA-N 312.333 -0.076 30 20 DBED C=CCn1cc(C(=O)N(C)C2CN([C@@H](CC)C(N)=O)C2)nn1 1044022620 PJJPTEZUAHBWRA-LBPRGKRZSA-N 306.370 -0.516 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)[C@H]2CCN(C)[C@@H](C)C2)C1 1045148301 QDYIVFFWVFZLIE-AVGNSLFASA-N 322.409 -0.434 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)CC[C@@H]2CCCO2)C1 1045540182 DUIGNYKNNONMNO-NEPJUHHUSA-N 309.366 -0.205 30 20 DBED CC(=O)N1CCO[C@H](C(=O)NC2(C)CCN(CC#N)CC2)C1 1045632771 FQWFOYZBPJURCT-ZDUSSCGKSA-N 308.382 -0.272 30 20 DBED C#CCN1CC[C@H](N2CCN(C(=O)Cc3n[nH]c(C)n3)CC2)C1 1046029483 URSYMEYNDKKLIC-AWEZNQCLSA-N 316.409 -0.493 30 20 DBED C[C@@]1(NC(=O)[C@@H]2Cc3cncn3C(=O)N2)CCN(CC#N)C1 1046506523 XKOQRGAJNBXFIF-SMDDNHRTSA-N 302.338 -0.530 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3nnc(C)n3C2)C1 1047638205 GWBXMXBKNNKOER-IHRRRGAJSA-N 319.409 -0.162 30 20 DBED C=C[C@@](C)(O)CC(=O)N(C)[C@H]1CN(C(=O)C(F)F)C[C@@H]1O 1048761768 HRTPPPYLRWODPC-MWODSPESSA-N 306.309 -0.391 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cnco2)C1 1049121329 JOQGTWVXZLPIEZ-WOPDTQHZSA-N 321.333 -0.643 30 20 DBED CC#CCCCC(=O)N(C)[C@H]1CN(C(=O)c2cnn[nH]2)C[C@@H]1O 1049237271 DSLMXRLRMUGZOW-STQMWFEESA-N 319.365 -0.358 30 20 DBED N#CCN1CCOC[C@H]1CNC(=O)c1cc2n(n1)CCCO2 1051018638 WVGJZEZOZCDZBN-LLVKDONJSA-N 305.338 -0.380 30 20 DBED C=CCN1CCOC[C@@H]1CNC(=O)[C@H]1COCCN1C(C)=O 1051251099 MOYBJWGIXSRORA-UONOGXRCSA-N 311.382 -0.763 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)[C@@H]1CN(CC)CCO1)CCO2 1053537346 BUZMXTHCBZQUHS-HNNXBMFYSA-N 321.421 -0.356 30 20 DBED C=C(C)CCN1CC2(CC[C@@H](CNC(=O)[C@@H]3CNC(=O)N3)O2)C1 1053655604 NPQBQEDDFRHWMI-STQMWFEESA-N 322.409 -0.016 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)C[C@@H]3CCC(=O)NC3)CO2)C1 1053827714 HFJIRNJHDMMKQZ-KBPBESRZSA-N 319.405 -0.115 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)c3cn(C)c(C)cc3=O)CO2)C1 1053834947 BBPJWWYDPFVYRE-ZDUSSCGKSA-N 315.373 -0.100 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)[C@]3(C)CCNC(=O)C3)CO2)C1 1053843065 DKMAVJHNKGRKSV-IUODEOHRSA-N 305.378 -0.505 30 20 DBED C=CCCC(=O)N[C@]1(CO)CCCN(C(=O)Cn2cncn2)C1 1055825962 TXZAXQRRJJTTGN-OAHLLOKOSA-N 321.381 -0.286 30 20 DBED C#CCCCCC(=O)N[C@]1(CO)CCCN(C(=O)CC(N)=O)C1 1055894395 BOJPPTRMHHATRD-MRXNPFEDSA-N 323.393 -0.475 30 20 DBED C[C@@H]1OCCO[C@@H]1C(=O)N1CCN(c2ccc(C#N)nn2)CC1 1056067587 LINXKNKOHWSNPL-FZMZJTMJSA-N 317.349 -0.199 30 20 DBED C[C@@H](C#N)C(=O)N[C@@]1(CO)CCCN(C(=O)Cc2ccon2)C1 1056093554 KTVPFWWSUPRQPI-NHYWBVRUSA-N 320.349 -0.154 30 20 DBED N#Cc1nccc(N2C[C@H]3[C@H](NC(=O)Cn4ccnc4)[C@H]3C2)n1 1056244301 DABLNJLNAJDQQC-HBYGRHMLSA-N 309.333 -0.204 30 20 DBED Cc1c(C(=O)N2CC[C@@H](N=c3cc[nH]c(C#N)n3)C2)nnn1C 1056598603 MDLQMNQBYJKYGB-SNVBAGLBSA-N 312.337 -0.466 30 20 DBED CN(c1nccnc1C#N)[C@@H]1CCN(C(=O)[C@@H]2COCCO2)C1 1056868735 HKBVLXHULZRRTJ-YPMHNXCESA-N 317.349 -0.199 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)CNC(=O)C1CC1 1057078121 OIBUFRXJXKHHNC-UHFFFAOYSA-N 311.382 -0.584 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)[C@@H]1C[C@@H]1C(=O)OC 1057177582 HQUYXZLQMKJGIP-OLZOCXBDSA-N 324.377 -0.464 30 20 DBED C[C@](O)(CC(=O)N(CCO)CCNC(=O)C#CC1CC1)C1CC1 1057376664 RLOUEOMVPFRFQK-KRWDZBQOSA-N 322.405 -0.112 30 20 DBED C#CCO[C@H](C)C(=O)NCCN(CCO)C(=O)c1cncnc1 1057408280 WRUOMKRXTAAMMW-GFCCVEGCSA-N 320.349 -0.934 30 20 DBED C=C[C@@](C)(O)CC(=O)N(CCO)CCNC(=O)Cc1ncc[nH]1 1057452092 VAXWTYWDVDBXMV-OAHLLOKOSA-N 324.381 -0.784 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)Cc1ccn(C)n1 1057548074 FKEHBSWWJAMKQF-UHFFFAOYSA-N 324.381 -0.898 30 20 DBED C=CCn1cc(C(=O)N(CCO)CCNC(=O)C2CCC2)nn1 1057626458 RWRUSNPMYUQSHT-UHFFFAOYSA-N 321.381 -0.185 30 20 DBED C=CCCOCC(=O)N(CCO)CCNC(=O)c1ccn(C)n1 1057920073 HEJUFKXNYBQZIL-UHFFFAOYSA-N 324.381 -0.437 30 20 DBED CC#CCCCC(=O)NCCN(CCO)C(=O)Cc1nc[nH]n1 1058891998 UUAXEYWMFJRMBM-UHFFFAOYSA-N 321.381 -0.522 30 20 DBED N#Cc1nccnc1NC[C@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 1060865325 PCAADRZTBWTFOE-KOLCDFICSA-N 316.321 -0.283 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCOC[C@@H]1CNC(=O)c1ncc[nH]1 1061557883 FJYDALNHVSDJFL-RYUDHWBXSA-N 322.365 -0.042 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)CC1(O)CCC1 1061561824 AVSSPQFLTKQNQV-NWDGAFQWSA-N 309.366 -0.205 30 20 DBED C#CCNC(=O)CC(=O)NCC1(NC(=O)c2cn[nH]c2)CCC1 1062829704 XFSWQFFJUFJIOD-UHFFFAOYSA-N 317.349 -0.682 30 20 DBED N#Cc1ccc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)c2cc[n+]([O-])cc2)nn1 1064217598 ZTNUQBJNRSRANR-ZLDLUXBVSA-N 322.328 -0.011 30 20 DBED N#Cc1cnccc1N1C[C@H]2C[C@H]1[C@H]2NC(=O)Cn1nccn1 1064300861 KAYBTVJZXCBNTC-DGFSRKRXSA-N 309.333 -0.062 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CN(C(=O)CCn2cccn2)CCO1 1064872968 OPHLAWDWSDFGKV-STQMWFEESA-N 319.365 -0.224 30 20 DBED C=CCOCC(=O)N1CCO[C@H](CNC(=O)C#CC2CC2)C1 1064970962 SZUXMWZUQDIEQM-CQSZACIVSA-N 306.362 -0.054 30 20 DBED CCOCC(=O)NC[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)CCO1 1065064421 ZZRQSEKRRJYRON-CYBMUJFWSA-N 320.349 -0.120 30 20 DBED CC(=O)NC(C)(C)C(=O)N1CCO[C@H](CNC(=O)[C@@H](C)C#N)C1 1065349291 DRMVCJIVIMJXMS-CMPLNLGQSA-N 324.381 -0.596 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CN(C(=O)Cc2cnc[nH]2)CCO1 1065669989 AQJKUGYFYKLKSJ-ZYHUDNBSSA-N 305.338 -0.545 30 20 DBED N#Cc1cnc(N2C[C@H](O)[C@H](CNC(=O)c3cc[nH]c3)C2)cn1 1067695612 MZAJKXDRMKTNLI-YPMHNXCESA-N 312.333 -0.097 30 20 DBED Cn1ncc(C(=O)N2C[C@H]3CC[C@H]2CN3c2cncc(C#N)n2)n1 1068046755 IYTGMXOTVLEQGT-NEPJUHHUSA-N 324.348 -0.030 30 20 DBED C[C@@H]1C[C@H](CN=c2cc[nH]cc2C#N)CN1C(=O)CC(N)=O 1068302925 LROCCKWCPCDMIK-GHMZBOCLSA-N 301.350 -0.101 30 20 DBED C[C@@H]1[C@H](N=c2cc[nH]c(C#N)n2)CCN1C(=O)c1nnn(C)n1 1068929223 ZIJFDVOGRYGJCW-RKDXNWHRSA-N 313.325 -0.991 30 20 DBED CC#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2ccnnc2)C1 1070037116 IXGDDULCYQPXAX-KGLIPLIRSA-N 311.349 -0.253 30 20 DBED CC#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2ncccn2)C1 1070057299 IYSVVCPDLYOGPM-OLZOCXBDSA-N 311.349 -0.253 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2n[nH]cc2F)C[C@@H]1n1ccnn1 1070269261 IVHYFHBVMREWJR-MNOVXSKESA-N 303.301 -0.571 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC[C@@H](NC(=O)c2cnn[nH]2)C1 1070729619 TVXMFTKFLHLACE-GHMZBOCLSA-N 305.338 -0.436 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CCCN(C(=O)C(C)(C)C(N)=O)C1 1070875355 SRADCQGKAJJICW-VXGBXAGGSA-N 323.393 -0.357 30 20 DBED CC#CCN1CC[C@@]2(C1)CN(C(=O)Cn1cnnn1)C[C@H](C)O2 1071134471 SGSFPTHAGZIUJZ-DZGCQCFKSA-N 318.381 -0.612 30 20 DBED C[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@@H]1NC(=O)CNC(N)=O 1072060312 NXUSSKPXIAOMRH-MNOVXSKESA-N 308.382 -0.333 30 20 DBED C=CCCN1CCC2(C1)CN(C(=O)CN1CCN(C)C(=O)C1)C2 1072867406 CGUQBDQQFBWVCG-UHFFFAOYSA-N 320.437 -0.129 30 20 DBED C#CCOCCC(=O)N1CC[C@H](NC(=O)c2cnn[nH]2)[C@@H](C)C1 1074049498 QCEGCYBAXRJMKQ-RYUDHWBXSA-N 319.365 -0.189 30 20 DBED CNC(=O)CN1CCO[C@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21 1074235303 FTPOWGPDTZCPQO-KBPBESRZSA-N 305.378 -0.553 30 20 DBED C#CCCN1CCO[C@@H]2CCN(C(=O)CCn3cnnn3)C[C@@H]21 1074368392 FQSKXBSUCCWTJG-UONOGXRCSA-N 318.381 -0.612 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CCN(C(=O)c2n[nH]cc2F)CC1 1074719791 DJRFKVYGPZBKAY-VIFPVBQESA-N 323.328 -0.208 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](NC(=O)C(F)F)C[C@@H]1C 1074749067 HZRMTKIFDVFXHT-UWVGGRQHSA-N 315.320 -0.113 30 20 DBED C#CCCN1C[C@@H]2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)[C@@H]2C1 1076236959 LLIBRGUMQLVGTL-RFQIPJPRSA-N 305.378 -0.425 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)c2cnc(OCC)cn2)C1 1078285070 YVSJAKLUNAVAAK-CHWSQXEVSA-N 304.350 -0.327 30 20 DBED C=CCOCC(=O)N(CC)C1CN(C(=O)Cn2cncn2)C1 1079492569 DFHFXQLVWSNGPH-UHFFFAOYSA-N 307.354 -0.460 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)Cc2ccc[nH]2)C[C@@H]1O 1081347620 YEHSKOKXZQMRJL-OCCSQVGLSA-N 321.377 -0.305 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@@H]2CCc3cnn(C)c3C2)[C@H](OC)C1 1082067550 QVHLTTNCGHNJFP-XNRPHZJLSA-N 316.405 -0.026 30 20 DBED C=C(Cl)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)Cn1ncnn1 1083082721 KHCIDYWZZFCZFG-WDEREUQCSA-N 312.761 -0.663 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)C[C@H]1CCC(=O)N1C 1083161588 KBMYMMFZLSMIEE-HZSPNIEDSA-N 305.378 -0.458 30 20 DBED COCCn1ncc(C(=O)N[C@@H]2CN(CC#N)C[C@@H]2O)c1C 1083458217 BZZXIUHOYPCKFO-OLZOCXBDSA-N 307.354 -0.864 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)c2cc(O)nc(C3CC3)n2)C1 1083551692 ZOGFVZYWLQAWIG-OLZOCXBDSA-N 316.361 -0.142 30 20 DBED C#CCN[C@@H]1CCCC[C@H]1NC(=O)c1cc(=O)n2[nH]cnc2n1 1085392825 UGKKGIVDGWUZCX-GHMZBOCLSA-N 314.349 -0.319 30 20 DBED C#CCOc1ncccc1C(=O)NC[C@H]1C[C@@H](NCC(N)=O)C1 1086255502 DMGYIAZITUDAPY-TXEJJXNPSA-N 316.361 -0.323 30 20 DBED CC(C)Oc1cnc(C(=O)N[C@H]2CCN(CC#N)C[C@H]2O)cn1 1090270792 ZSVCPKKUTNKEHP-WCQYABFASA-N 319.365 -0.048 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2cc(OC)ncn2)[C@H](O)C1 1090274975 XMAQIAPSGSNABX-DGCLKSJQSA-N 304.350 -0.327 30 20 DBED COC[C@H](C)C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1O 1090387073 GWUCBSLKMFYDGF-MVWJERBFSA-N 305.338 -0.704 30 20 DBED CCOCCCC(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1O 1090395414 ONQDZFHGNDQAFB-CHWSQXEVSA-N 319.365 -0.169 30 20 DBED N#CCN1CC[C@@H](NC(=O)Cn2ncc3cccnc32)[C@H](O)C1 1090436320 PTXLNKUFTNYISD-CHWSQXEVSA-N 314.349 -0.494 30 20 DBED C=CCN1CC[C@@H](NC(=O)c2ccn3nnnc3c2)[C@H](O)C1 1090485024 FFYYBTGAJPBNNV-VXGBXAGGSA-N 302.338 -0.525 30 20 DBED COCC(C)(C)C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1O 1090506628 LQSHXEUQUXWOSF-VXGBXAGGSA-N 319.365 -0.313 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1CN(c2ccc3nnnn3n2)C[C@H]1O 1090516071 IODDOQYMCSOKJC-NXEZZACHSA-N 317.353 -0.603 30 20 DBED Cn1cnc2ccc(C(=O)N[C@H]3CCN(CC#N)C[C@H]3O)nc21 1090573522 NDGRBKVFLHTKEN-GXFFZTMASA-N 314.349 -0.343 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1C 1090651623 CDYDMVSPOWKMJQ-BXKDBHETSA-N 302.338 -0.575 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2CCN(CCOC)C[C@H]2O)nc1 1090737089 MRYOGOKRQBPULJ-DZGCQCFKSA-N 303.362 -0.126 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)CN2C(=O)CCC2=O)[C@@H](O)C1 1090796620 QDBYRWGREWCTLO-NEPJUHHUSA-N 309.366 -0.737 30 20 DBED CCCOCC(=O)N[C@@H]1CCN(c2ccc(C#N)nn2)C[C@H]1O 1092142336 HBDRUCXDBAILEG-CHWSQXEVSA-N 319.365 -0.169 30 20 DBED COCCOCC(=O)NC1[C@H]2CN(c3cncc(C#N)n3)C[C@H]12 1093253180 DHQBFIGZVHYSIT-RYUDHWBXSA-N 317.349 -0.438 30 20 DBED N#Cc1nccc(N2C[C@@H]3C(NC(=O)CCn4ccnn4)[C@H]3C2)n1 1093260339 JRWSMMDOWUCOTR-QWRGUYRKSA-N 324.348 -0.419 30 20 DBED N#Cc1c[nH]ccc1=NCCNC(=O)[C@H]1CCCN(C(N)=O)C1 1093992782 JJIYHXBRCRAIEG-NSHDSACASA-N 316.365 -0.306 30 20 DBED CNC(=O)C1(C(=O)NCCCN=c2cc[nH]c(C#N)n2)CC1 1094497135 SHBQLIQENJHPTF-UHFFFAOYSA-N 302.338 -0.785 30 20 DBED C[C@H](CC(=O)NCCCNc1cnc(C#N)cn1)NC(N)=O 1094594133 ZMVFYRXHMPTMRB-SECBINFHSA-N 305.342 -0.287 30 20 DBED C[C@@H](CC(=O)NCCCNc1cnc(C#N)cn1)NC(N)=O 1094594134 ZMVFYRXHMPTMRB-VIFPVBQESA-N 305.342 -0.287 30 20 DBED C#CCCN1CC(N2C[C@H](NC(=O)c3cnns3)CC2=O)C1 1094711303 DEAAORCEMZBOQZ-SNVBAGLBSA-N 319.390 -0.424 30 20 DBED C#CCCN1CC(N2C[C@@H](NC(=O)c3cocn3)CC2=O)C1 1094715764 QDHJJOGRLDPGJF-NSHDSACASA-N 302.334 -0.287 30 20 DBED C=CCCN1CC(N2C[C@@H](NC(=O)c3ncn(C)n3)CC2=O)C1 1094735526 QPUYEHRIQXAHSF-NSHDSACASA-N 318.381 -0.594 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)Cn3nccc3C)CC2=O)C1 1094791584 GXDZCIPKRUEZPO-ZDUSSCGKSA-N 317.393 -0.221 30 20 DBED CCNC(=O)CC(=O)N1CC[C@@H](N=c2cc[nH]cc2C#N)C1 1095037065 ZHLNZGJKJUGORB-GFCCVEGCSA-N 301.350 -0.086 30 20 DBED CN1CCO[C@@H](C(=O)NCCCN(C)c2ccnc(C#N)n2)C1 1095521903 XMYYYDQXWKYZJJ-GFCCVEGCSA-N 318.381 -0.379 30 20 DBED Cc1cc(C#N)nc(N(C)CCCNC(=O)[C@H]2CCNC2=O)n1 1095696741 LLHYUJBLAQMAGA-GFCCVEGCSA-N 316.365 -0.265 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCN(c2nccnc2C#N)C1 1096360578 PFLMIBXCZHCZKW-LLVKDONJSA-N 312.333 -0.817 30 20 DBED C[C@@H](CNC(=O)[C@H]1COCCN1C)N=c1cc[nH]c(C#N)n1 1097764264 DJOGLBGVBBNKNF-WDEREUQCSA-N 304.354 -0.983 30 20 DBED CCc1nc(C#N)cc(N[C@@H](C)CNC(=O)[C@H]2COC(=O)N2)n1 1097817157 OYQHJCYJRBXLNN-WCBMZHEXSA-N 318.337 -0.064 30 20 DBED CNC(=O)CC(=O)N1CC[C@@H](CNc2ccc(C#N)nn2)C1 1098521453 DMMYONGUGGGXOO-JTQLQIEISA-N 302.338 -0.255 30 20 DBED N#CCNCc1cn([C@H]2CCN(C(=O)CSCC#N)C2)nn1 1098622703 NUNZLMOGXHEBRX-LBPRGKRZSA-N 319.394 -0.079 30 20 DBED C[C@@H](CCNC(=O)CCn1ccnn1)N=c1cc[nH]c(C#N)n1 1099011560 YGLSJJJSSTUHJK-NSHDSACASA-N 314.353 -0.241 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H]2CC[C@H]1[C@@H]1CN(CCO)C[C@H]21 1099468238 LCYVMXDNSWMQLA-TUVASFSCSA-N 319.405 -0.713 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)CCCOC)[C@H](O)C1 1099704978 TXGWDPUYFHABEN-CHWSQXEVSA-N 313.398 -0.733 30 20 DBED CC(C)(C)NC(=O)CN1CC[C@@H](NC(=O)C#CC2CC2)[C@H](O)C1 1099812553 FVQQIDLEGFSRRF-ZIAGYGMSSA-N 321.421 -0.134 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CCN(CC(=O)N(C)C2CC2)C[C@@H]1O 1099820166 BAUNEJDXDFRZBC-CABCVRRESA-N 321.421 -0.182 30 20 DBED Cn1ncnc1CN1CC[C@@H](NC(=O)C#CC2CC2)[C@@H](O)C1 1099826725 PAQNXPGZGHMORD-OLZOCXBDSA-N 303.366 -0.720 30 20 DBED C=C(C)CCC(=O)N[C@H]1CCN(Cc2nnnn2C)C[C@H]1O 1099856353 VVKHCNOIFSKHKB-NWDGAFQWSA-N 308.386 -0.382 30 20 DBED C#CCCN1CC[C@H](NC(=O)CCCn2ccnn2)[C@@H](O)C1 1099869626 SCXWHGBHDFRCKZ-KBPBESRZSA-N 305.382 -0.367 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)c2cnn(C)n2)[C@@H](O)C1 1100028714 BWHWOEKFQKMHRU-AAEUAGOBSA-N 309.370 -0.817 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2[nH]cnc2C)[C@@H](O)C1 1100145339 JNTJVYSHMWBRDF-OLZOCXBDSA-N 306.366 -0.467 30 20 DBED N#CCNC(=O)CNC1CC(CNC(=O)[C@@H]2CCCOC2)C1 1100179776 PSEDNTYTWZNKRK-OTTFEQOBSA-N 308.382 -0.463 30 20 DBED CN(CCNC(=O)[C@@]1(C)CCNC1=O)c1cncc(C#N)n1 1100325504 KJPXQEOUGXKJLP-AWEZNQCLSA-N 302.338 -0.573 30 20 DBED CN1CC[C@@H](C(=O)NCCN(C)c2ccc(C#N)nn2)CC1=O 1100398561 NDVXGSLMBYJILA-LLVKDONJSA-N 316.365 -0.231 30 20 DBED CCCN(CCNC(=O)c1nnn(C)n1)c1ccnc(C#N)n1 1101215746 DWSDKRGATCTHIY-UHFFFAOYSA-N 315.341 -0.482 30 20 DBED CCNC(=O)CCC(=O)N(C)CCN=c1cc[nH]c(C#N)n1 1101518877 HGQCPIDBMLDWFZ-UHFFFAOYSA-N 304.354 -0.443 30 20 DBED CO[C@H](C)C(=O)NCC[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1102730398 QSPZMBBAQFDSGJ-JHJVBQTASA-N 310.398 -0.265 30 20 DBED CN(C(=O)C1(C(N)=O)CC1)[C@@H]1CCN(c2cncc(C#N)n2)C1 1102756040 NGXCCWRKVWHGCW-LLVKDONJSA-N 314.349 -0.349 30 20 DBED CC[C@@H](CNC(=O)CN1CCOCC1)Nc1cncc(C#N)n1 1103034726 NFLQCCYRBXBNBR-LBPRGKRZSA-N 318.381 -0.013 30 20 DBED CNC(=O)CC(=O)NCC[C@H]1CCCN1c1cncc(C#N)n1 1103741909 CBUQDSSYPYMCRB-GFCCVEGCSA-N 316.365 -0.041 30 20 DBED CN(CCN(C)c1ccc(C#N)cn1)C(=O)[C@H]1CCNC1=O 1105535044 IJFJMEALSSUEJH-LBPRGKRZSA-N 301.350 -0.016 30 20 DBED CN1CCC[C@H]1C(=O)NC[C@@H](O)CNc1ccc(C#N)nn1 1105756602 WZSHSCRCJQPLDI-RYUDHWBXSA-N 304.354 -0.669 30 20 DBED N#Cc1cncc(NC[C@H](O)CNC(=O)C[C@@H]2CCOC2)n1 1105759575 PBKPEKXQFHDLBJ-JQWIXIFHSA-N 305.338 -0.336 30 20 DBED Cc1cc(=NC[C@H](O)CNC(=O)Cc2ccon2)c(C#N)c[nH]1 1105763244 FPWZFZCSUSUYBO-ZDUSSCGKSA-N 315.333 -0.197 30 20 DBED Cc1cc(C(=O)NC[C@H](O)CN=c2cc[nH]cc2C#N)cnn1 1105812444 CPQGJUNBCDIPMX-CYBMUJFWSA-N 312.333 -0.324 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)Cc2ncc[nH]2)nn1 1105937187 GACWDXTZHACTNP-JTQLQIEISA-N 301.310 -0.797 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)[C@@]23COC[C@@H]2C3)cn1 1106145849 UFOVGJPDNLPSHZ-XEGUGMAKSA-N 302.334 -0.121 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)[C@H](C)NC(=O)COC)C[C@H]1C 1106167506 BVUMGAFMTMZDJI-HZSPNIEDSA-N 309.410 -0.155 30 20 DBED C[C@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)[C@@H]1CN(C)CCO1 1106293124 BRBLQSFBSLJIHT-NEPJUHHUSA-N 318.381 -0.593 30 20 DBED C[C@@H](CCNc1cncc(C#N)n1)NC(=O)[C@H]1C[C@H]1C(N)=O 1106569568 KKRQWXMUFFBXDM-GDPRMGEGSA-N 302.338 -0.224 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)[C@@H]1[C@H]2COC[C@H]21 1106913066 MRSSVNPEWHRNCK-YABSGUDNSA-N 301.350 -0.077 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)Cn2nc(C)n(C)c2=O)C[C@H]1C 1106938486 YOOUVZIZHQXTEM-TZMCWYRMSA-N 319.409 -0.402 30 20 DBED C=C(C)CN1CC(n2cc(CNC(=O)CC(=O)N(C)C)nn2)C1 1107217669 UZLLCEHZJHRYNT-UHFFFAOYSA-N 320.397 -0.195 30 20 DBED N#Cc1cncc(NC/C=C/CNC(=O)[C@H]2CCNC2=O)n1 1107453432 YLPBWVOVZUTTSA-FMBMQGQPSA-N 300.322 -0.431 30 20 DBED C#CCN1CCC(C(=O)NC[C@]2(C)CN(CCO)CCO2)CC1 1108419794 RAFJPLMRWMDNIJ-QGZVFWFLSA-N 323.437 -0.469 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cn[nH]c1)C2 1108625762 LWJQAAKUEBTXOB-UBHSHLNASA-N 315.377 -0.258 30 20 DBED C[C@H](CN(C)c1ccnc(C#N)n1)NC(=O)CN1CCCC1=O 1108851191 VWYWCLMYPWQVKY-LLVKDONJSA-N 316.365 -0.088 30 20 DBED C[C@H](CN(C)c1nccnc1C#N)NC(=O)c1nnn(C)n1 1109178930 HGUSUEHCEURHLR-MRVPVSSYSA-N 301.314 -0.874 30 20 DBED Cc1ccc(C#N)c(N(C)C[C@@H](C)NC(=O)[C@@H]2CNC(=O)N2)n1 1109210524 BYRPMYXRWZPFQC-PWSUYJOCSA-N 316.365 -0.116 30 20 DBED CNC(=O)NCC(=O)N[C@@H](C)CN(C)c1nc(C)cc(C#N)n1 1109288181 VRKAGBORLGSICY-JTQLQIEISA-N 319.369 -0.473 30 20 DBED C[C@H](NC(N)=O)C(=O)N[C@@H](CNc1cnc(C#N)cn1)C1CC1 1109843202 VHYWYCKNUTWXFO-KWQFWETISA-N 317.353 -0.288 30 20 DBED CS(=O)(=O)CCC(=O)NCC1(Nc2ccnc(C#N)n2)CC1 1110390956 NEHSPXJOJLCFSI-UHFFFAOYSA-N 323.378 -0.156 30 20 DBED CC(C)OCC(=O)NC[C@@]1(O)CCN(c2ccnc(C#N)n2)C1 1111038321 XUTSBHFZLXDSSM-HNNXBMFYSA-N 319.365 -0.169 30 20 DBED N#Cc1cnccc1N1CC[C@@](O)(CNC(=O)c2nc[nH]n2)C1 1111089312 QBBIAUSOPKABHD-CQSZACIVSA-N 313.321 -0.557 30 20 DBED C#CCOCCC(=O)NC[C@]1(O)CCN(c2cc(C)ncn2)C1 1111097676 DYBLSWXDBRYETI-MRXNPFEDSA-N 318.377 -0.118 30 20 DBED N#Cc1ccc(N2C[C@H]3C[C@H](NC(=O)CC(N)=O)C[C@H]2C3)nn1 1111153381 JXPPZSXMWVOFAS-ZMLRMANQSA-N 314.349 -0.303 30 20 DBED CC(C)C#CC(=O)N(CCO)CCN=c1cc[nH]c(C#N)n1 1111471838 TXQKRZPSZIMCSM-UHFFFAOYSA-N 301.350 -0.338 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)Cc2cc(C)on2)CC1 1112721753 NVUQYDAMJZBWBF-CYBMUJFWSA-N 318.377 -0.192 30 20 DBED C#CCNC(=O)CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 1112774413 WBKSGRASXAFLGW-UHFFFAOYSA-N 322.409 -0.815 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)C(C)(C)COC)CC1 1113104594 JINACVABIODAIN-CYBMUJFWSA-N 309.410 -0.059 30 20 DBED C[C@H](N=c1cc[nH]cc1C#N)[C@H](C)NC(=O)C1CS(=O)(=O)C1 1113183887 TVEGYWGAQJBGGC-UWVGGRQHSA-N 322.390 -0.275 30 20 DBED C[C@@H](CNC(=O)Cc1nc[nH]n1)N(C)c1ccc(C#N)nn1 1113714133 HAPXVCRYMWXZLF-VIFPVBQESA-N 300.326 -0.350 30 20 DBED C[C@H](CNC(=O)[C@@H]1CCC(=O)N1C)N(C)c1ccnc(C#N)n1 1113813419 RTXJADXYOSYHHF-MNOVXSKESA-N 316.365 -0.090 30 20 DBED CCO[C@H](CC)C(=O)NC1[C@H]2CN(CC(=O)NCC#N)C[C@H]12 1113976223 DDIAOATVWHWVDM-SDDRHHMPSA-N 308.382 -0.512 30 20 DBED C[C@@H]1CCN(c2cnc(C#N)cn2)C[C@@H]1NC(=O)CNC(N)=O 1113996912 BVQMCIVULCHRMD-KOLCDFICSA-N 317.353 -0.652 30 20 DBED N#Cc1ccc(N2C[C@@H]3C(CNC(=O)CNC(N)=O)[C@H]3C2)cn1 1114500897 QOTFBLHLRVVZKR-CHWSQXEVSA-N 314.349 -0.580 30 20 DBED C=CCCCC(=O)NC1[C@@H]2CN(CCNS(C)(=O)=O)C[C@@H]12 1114759281 GGNWYCRXSSBPCP-VXGBXAGGSA-N 315.439 -0.062 30 20 DBED CC#CCN1C[C@@H]2C(NC(=O)CNC(=O)c3cccnc3)[C@H]2C1 1114861176 DEJMWSPVZZBEPA-KBPBESRZSA-N 312.373 -0.119 30 20 DBED C[C@@H](CCCN=c1cc[nH]c(C#N)n1)NC(=O)Cn1cncn1 1114938931 XOZHPQKSZUDDLA-NSHDSACASA-N 314.353 -0.241 30 20 DBED CC(=O)N[C@@H](C)C(=O)N(C)C[C@@H](C)N=c1cc[nH]c(C#N)n1 1115636217 MHKTUZMVDWDJNZ-ZJUUUORDSA-N 304.354 -0.446 30 20 DBED C#C[C@H](NC(=O)C(=O)NCc1nn(CC)nc1C)[C@@H]1CCCO1 1118115801 AFDHUFKXUQALRC-AAEUAGOBSA-N 319.365 -0.480 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)c1cnn(C)c1 1124031050 XBSBVSSSGZVBFL-NSHDSACASA-N 315.337 -0.951 30 20 DBED CN(C)C(=O)CC(=O)N(C)C[C@@H](O)CNc1ncccc1C#N 1124799281 XVJMXJFJCBVDGF-LBPRGKRZSA-N 319.365 -0.337 30 20 DBED N#Cc1c[nH]c(C(=O)NCCNCc2nnnn2C2CC2)c1 1125390744 ACTZQHQBYOCESX-UHFFFAOYSA-N 300.326 -0.273 30 20 DBED C=C[C@](C)(O)CC(=O)NCCNCC1(CS(C)(=O)=O)CC1 1126366102 QXNVVQHKRDICQX-ZDUSSCGKSA-N 318.439 -0.156 30 20 DBED COCCN(CCNC(=O)c1cnn[nH]1)c1ccc(C#N)nn1 1126561406 GFVXOWCAAFMEGO-UHFFFAOYSA-N 316.325 -0.651 30 20 DBED C#CCC1(C(=O)NCCN[C@@H](C)C(=O)N(C)C)CCOCC1 1129117226 WTSQLIVKMYUGEF-ZDUSSCGKSA-N 309.410 -0.011 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1c(Cl)n[nH]c1CC 1129207129 BGGUDVGIGJQTTE-UHFFFAOYSA-N 311.773 -0.306 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1cccc2c1COCC2 1129218192 CQQIEAKGKVCSDH-UHFFFAOYSA-N 316.361 -0.282 30 20 DBED CC#CCN[C@@H]1CN(C(=O)Cc2nc[nH]n2)C[C@@H]1n1ccnn1 1130083744 HXNAJGSRUOGTAC-NEPJUHHUSA-N 314.353 -0.996 30 20 DBED C#CCNC[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](C)OC)n2)O1 1130765458 UAYAGYXFCKIGEO-SDDRHHMPSA-N 321.381 -0.101 30 20 DBED C=CCN1C[C@H]2C[C@H]3CN(C(=O)[C@@H](C)NC(C)=O)C[C@@]3(C1)O2 1131177866 NAQFAQJXJBZLPH-UZMCECQYSA-N 307.394 -0.001 30 20 DBED CC[C@H](NC(C)=O)C(=O)N1C[C@H]2C[C@@H]3CN(CC#N)C[C@]2(C1)O3 1131274235 SBROZUURUBUXDB-HGTKMLMNSA-N 320.393 -0.274 30 20 DBED C#CCCN1C[C@H]2C[C@@H]3CN(C(=O)CCCC(N)=O)C[C@@]3(C1)O2 1131297599 GXJSKZFWXKFCNZ-CKEIUWERSA-N 319.405 -0.033 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1conc1C(F)(F)F 1131391374 GXJIAYMDWIYODY-UHFFFAOYSA-N 318.255 -0.238 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)[C@H](C)CC(F)F 1131450163 QNJIROZHEMPBQZ-SECBINFHSA-N 320.340 -0.005 30 20 DBED COc1ccc(CNCCNC(=O)[C@@H]2CNC(=O)N2)cc1C#N 1133129013 SYRPITKRPWPXKD-LBPRGKRZSA-N 317.349 -0.546 30 20 DBED C=CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)CCn1cncn1 1133758801 NYNYTQOCDDAHMP-OLZOCXBDSA-N 322.413 -0.157 30 20 DBED CC#CCN[C@H](C)C[C@@H](C)NC(=O)CN(C)S(C)(=O)=O 1134509098 MSHGZMUXRWPBFT-VXGBXAGGSA-N 303.428 -0.226 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)c1c[nH]nc1C 1135143111 IOLDKSLMKCHPDT-GHMZBOCLSA-N 305.382 -0.046 30 20 DBED CCCS(=O)(=O)CC(=O)NC[C@@H]1CN(CC#N)CCCO1 1150731936 VISOFTMUVDSESG-GFCCVEGCSA-N 317.411 -0.458 30 20 DBED C=C(C)CN(CC)C(=O)CNCCCNC(=O)[C@H]1CCC(=O)N1 1155741308 RHIGZTNMEVQSQG-CYBMUJFWSA-N 324.425 -0.215 30 20 DBED N#CCNC(=O)CNCCCNC(=O)c1ccc2cncn2c1 1162617356 HNJBWAQJSGTIQP-UHFFFAOYSA-N 314.349 -0.316 30 20 DBED C=CCN(CC=C)C(=O)CNCCCNC(=O)[C@@H]1CCNC1=O 1163934381 DFOMOPSHCKMNMY-ZDUSSCGKSA-N 322.409 -0.581 30 20 DBED COCC#CCNCCCNC(=O)COCc1nncn1C 1169829869 YYVNIXZSVINUME-UHFFFAOYSA-N 309.370 -0.923 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCCCN[C@@H](C)C(N)=O 1170310804 NNYJDZIDMNASRE-RYUDHWBXSA-N 310.398 -0.736 30 20 DBED C=CCNC(=O)CNCCCNC(=O)c1conc1COC 1170960140 PXFJAHJRPUXUGA-UHFFFAOYSA-N 310.354 -0.167 30 20 DBED C=CCCOCC(=O)NCCCNCC(=O)NCCCOC 1177264621 QRDIQHNGFOPQSB-UHFFFAOYSA-N 315.414 -0.172 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)c2cc(C)nn2C)C1 1181295040 NUPRVKDBRVGGJY-GFCCVEGCSA-N 305.382 -0.165 30 20 DBED C=CCNC[C@]1(C)CN(C(=O)C[C@@H]2NC(=O)NC2=O)C[C@H]1C 1181763773 KDRHYSYCQVROQQ-JRPNMDOOSA-N 308.382 -0.155 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC[C@@H](NCCN2CCNC2=O)C1 1182214665 FBHODPPQYCPKMC-DOMZBBRYSA-N 310.398 -0.471 30 20 DBED C[C@@H]1CN(C(=O)CCn2ncn(C)c2=O)CC[C@H]1CNCC#N 1184874176 YGZKVXYKUYEXRP-OLZOCXBDSA-N 320.397 -0.430 30 20 DBED C#CCNC(=O)CNC[C@H]1CN(C(C)=O)CC12CCOCC2 1186211993 HTZSBZKLCMDWKC-AWEZNQCLSA-N 307.394 -0.400 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@@H](NC[C@@H](O)COC)C2)nc1 1187208137 MGGSFRDGPVPMPX-ZIAGYGMSSA-N 303.362 -0.126 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2ccncc2)C1 1188626125 NKRAHCOLOZUZTP-CQSZACIVSA-N 300.362 -0.023 30 20 DBED Cc1nnsc1C(=O)N1CC[C@H](N(C)CC(=O)NCC#N)C1 1188804622 XFZBGYSFKZWFLW-JTQLQIEISA-N 322.394 -0.367 30 20 DBED CCn1ccnc1CN1C[C@@H](O)[C@H](NC(=O)CSCC#N)C1 1191162645 YSLHQEZBTJFMNJ-VXGBXAGGSA-N 323.422 -0.179 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CN(CC(=O)N2CCCCCC2)C[C@H]1O 1191854313 KXNAWSUYFJIKGP-BFHYXJOUSA-N 322.409 -0.290 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@H]1CCN(C(=O)CCCN(C)C)C1 1192046279 MGUAHGQPJJWJIG-CABCVRRESA-N 322.453 -0.001 30 20 DBED CCc1ccc(C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@H]2O)o1 1194151078 BOWTTYHCLRLPSS-VXGBXAGGSA-N 320.349 -0.743 30 20 DBED C=CCCN(C)[C@@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 1194255563 IPYZRTLRKPJGIV-LLVKDONJSA-N 306.370 -0.514 30 20 DBED C#CCNC(=O)CC(=O)N1CCCN(CC(=O)N(C)CC)CC1 1195534467 AFBJKRJTZQQKOP-UHFFFAOYSA-N 322.409 -0.862 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)C2=CCOCC2)[C@H](C)C1 1206897083 HIDASOKKAGPJGD-VNHYZAJKSA-N 319.405 -0.093 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)C[C@@H]2CCCO2)C1 1207450959 KIJOPUJBCNANQW-KGLIPLIRSA-N 307.394 -0.115 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2CCCCO2)C1 1207807361 MAUDIJRIRZQFHR-KBPBESRZSA-N 307.394 -0.115 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)CC(=O)NCC)C1 1207871739 ALWQTFHKHFLATF-LBPRGKRZSA-N 310.398 -0.605 30 20 DBED CC#CCN1C[C@@H](NC(=O)[C@@H](CCC(N)=O)NC(C)=O)[C@H](C)C1 1209530825 SQIZBLMIGUFLTH-MRVWCRGKSA-N 322.409 -0.784 30 20 DBED COCC#CCN[C@@H]1CCCN(C(=O)[C@]2(C)CCNC2=O)C1 1209615609 WASZFHOGKZREPK-CZUORRHYSA-N 307.394 -0.257 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)c2cncs2)[C@H](OC)C1 1211942743 XKGFYMZBUWZALQ-GHMZBOCLSA-N 324.406 -0.126 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(CC#CCOC)C[C@H]1OC 1212193375 DNGOZYXIUCCZFW-FMKPAKJESA-N 310.394 -0.221 30 20 DBED CO[C@@H]1CN([C@H]2CCN(C)C2=O)C[C@H]1NC(=O)C#CC1CC1 1212251310 WPAYUHYTMAOSDW-HZSPNIEDSA-N 305.378 -0.554 30 20 DBED CO[C@@H]1CN(Cc2nnnn2C)C[C@H]1NC(=O)C#CC(C)(C)C 1212254508 YUWFWPISDTXENU-VXGBXAGGSA-N 320.397 -0.425 30 20 DBED C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1NCCS(C)(=O)=O 1214169995 MVFQDUDXHBIIRN-GHMZBOCLSA-N 319.452 -0.276 30 20 DBED C[C@@H]1CN(C(=O)c2cnns2)C[C@H]1NCC(=O)NCC#N 1214221049 JYLGQFCYAQQNRC-RKDXNWHRSA-N 308.367 -0.772 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2ccn(C)n2)C[C@H]1C 1216753979 CGLZKLBRZFYUJS-MBNYWOFBSA-N 317.393 -0.392 30 20 DBED CC(C)CC(=O)N1CCO[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1217200470 HFHBHUNPUCNHQU-QWHCGFSZSA-N 308.382 -0.416 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)c2c(C)ccn2C)C1 1219512915 FYJQCASPJKHABJ-KGLIPLIRSA-N 305.378 -0.242 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)CC(C)=C(C)C)C1 1220158003 DDYKHFJVWRMZLU-KGLIPLIRSA-N 307.394 -0.357 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)C[C@@H]3CCCO3)[C@@H]2C1 1221299256 WLSHAYBEUSQKPU-QLFBSQMISA-N 319.405 -0.162 30 20 DBED CC#CCN1CCC(CNC(=O)CCNC(=O)COC)CC1 1223382213 GCGZKPLDCFGKHW-UHFFFAOYSA-N 309.410 -0.009 30 20 DBED C#CCO[C@@H](C)C(=O)NC1CCN(Cc2nncn2C)CC1 1227299585 VBRXQJYWRSIHJK-LBPRGKRZSA-N 305.382 -0.066 30 20 DBED N#CCNC(=O)CN1CCC(NC(=O)CCn2ccnc2)CC1 1228526063 JZGJXPWBZBTZQG-UHFFFAOYSA-N 318.381 -0.506 30 20 DBED CNC(=O)NC(=O)CN1CC[C@H]1CN(C)C(=O)C#CC(C)C 1234119905 SCHBBJHPHHDTIK-LBPRGKRZSA-N 308.382 -0.366 30 20 DBED C=CCn1cc(C(=O)N2CC(n3cc(C(=O)O)nn3)C2)nn1 1261501896 RGLVGJOUTJCBIJ-UHFFFAOYSA-N 303.282 -0.549 30 20 DBED Cn1c(=O)nc(O)c2nc(CCC(=O)N(CC#N)C3CC3)[nH]c21 1318086807 NCYQHQMRYQXFRZ-UHFFFAOYSA-N 316.321 -0.191 30 20 DBED O=C1C=CC=N/C1=C(\O)NCCN1C(=O)N[C@H](C2CC2)C1=O 1320763611 LXRHJWDBOFAISH-ZOAHYWAASA-N 304.306 -0.157 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC(C(C)(C)O)C2)C1=O 1324298910 QEFZEHBDDBZOLL-UHFFFAOYSA-N 309.322 -0.808 30 20 DBED CN1C(=O)C(=O)N(CC(=O)NC2(C#N)CCSCC2)C1=O 1324450773 VAVMVXFBRSZNJQ-UHFFFAOYSA-N 310.335 -0.687 30 20 DBED C#CCCCC(=O)N1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 1324606472 CMVKMSIWLCITIE-QWHCGFSZSA-N 314.407 -0.908 30 20 DBED C#Cc1cccc(CNC(=O)C(=O)NCC(=O)NOCC)c1 1327548457 RIYJANDZNPHTHZ-UHFFFAOYSA-N 303.318 -0.532 30 20 DBED CN(CCN1CCOCC1)C(=O)C(=O)N1CCC[C@H](CC#N)C1 1328170620 NAWVFULGKCWIIU-CQSZACIVSA-N 322.409 -0.071 30 20 DBED CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCO[C@@H](C#N)C1 1328528010 WOSLXLBXJOCIOV-OLZOCXBDSA-N 308.382 -0.272 30 20 DBED CC[C@H](NC(=O)C(=O)N1CC[C@](O)(CC#N)C1)[C@H]1CCCO1 1329351062 MYPVNRRVEOWRAY-YWPYICTPSA-N 309.366 -0.063 30 20 DBED C#CCCCn1nnnc1N1CCc2c(nnn2CCOC)C1 1334117216 UAPOHJMXKHQNJM-UHFFFAOYSA-N 316.369 -0.113 30 20 DBED N#CCn1cc(NC(=O)C(=O)NCCCN2CCCC2)cn1 1334436384 GZGJVKLZAIGIQH-UHFFFAOYSA-N 304.354 -0.053 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)NCCOCC(F)(F)F)CCO1 1340351478 DMNCIWSCEPSKPB-MRVPVSSYSA-N 309.244 -0.568 30 20 DBED N#Cc1ccc(CS(=O)(=O)CC(=O)N2CC(C(N)=O)C2)cc1 1363685586 HFOICAVWHAZDDB-UHFFFAOYSA-N 321.358 -0.583 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCNC(=O)c1cnc(N(C)C)cn1 1373462086 NETXNMOLVAIMNM-JTQLQIEISA-N 304.354 -0.110 30 20 DBED COc1ccc(C(=O)N2CC[C@H](NC(=O)[C@H](C)C#N)C2)nn1 1385887894 ITVLNZKDOJDRMT-ZJUUUORDSA-N 303.322 -0.024 30 20 DBED CNC(=O)c1cccc(CNC[C@H](O)CNC(=O)[C@@H](C)C#N)c1 1392368673 WJFSWJZCRVWTPH-FZMZJTMJSA-N 318.377 -0.227 30 20 DBED C[C@H](C#N)C(=O)NC1CCC(NC(=O)C2(NC(N)=O)CC2)CC1 1397354489 ANRAUQUDKNJFQL-KPPDAEKUSA-N 321.381 -0.109 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](NC(=O)C(C)(C)S(C)(=O)=O)C1 1407154355 ZYAGJFXOGGJQAG-VHSXEESVSA-N 315.395 -0.314 30 20 DBED Cc1c([C@H](C)NC(=O)Cn2cc(C#N)c(O)nc2=O)cnn1C 1412406039 RWCHYSSXJVJTPZ-QMMMGPOBSA-N 316.321 -0.260 30 20 DBED C[C@H](C#N)C(=O)N[C@@H](CNC(=O)CN1CCCC1=O)C1CC1 1414828762 ZCKFDALVANGPSZ-PWSUYJOCSA-N 306.366 -0.221 30 20 DBED N#Cc1ccc(CS(=O)(=O)CC(=O)N[C@H]2CCOC2=O)cc1 1418161613 ARXFIWUEMKORGP-LBPRGKRZSA-N 322.342 -0.095 30 20 DBED C[C@H]1C[C@@H](C)O[C@H]1C(=O)NCCn1cc(C#N)c(O)nc1=O 1418535823 CFOPHUNUUJTXKN-IQJOONFLSA-N 306.322 -0.250 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CCN(C(=O)C2(NC(N)=O)CC2)C1 1427437096 CECVDWIUAAYRRX-ZJUUUORDSA-N 307.354 -0.594 30 20 DBED COCCN(CCNC(=O)c1n[nH]c(C)c1O)C(=O)[C@@H](C)C#N 1428399681 DIKIRQVZFBMRSO-VIFPVBQESA-N 323.353 -0.212 30 20 DBED C[C@H](C#N)C(=O)N(C)C[C@@H]1CCN(C(=O)Cn2cnnn2)C1 1430070086 KMSYOBMRLCHSIK-MNOVXSKESA-N 305.342 -0.860 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)c2ccc3nnnn3c2)CC1 1432299339 XBNNFSOWLVIZQA-SECBINFHSA-N 313.321 -0.337 30 20 DBED CC(=O)N[C@@H](C)C(=O)N(C)CCN(C)C(=O)c1cc(C#N)c[nH]1 1457707522 XYAGJJHKXOFHQE-JTQLQIEISA-N 319.365 -0.059 30 20 DBED C#CCNC(=O)CN1CCC[C@@H](NC(=O)[C@@H]2CCCCO2)C1 1494263600 CIKZNKDEFHTLAZ-KGLIPLIRSA-N 307.394 -0.115 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)[C@@H](C)NC(=O)c2ccoc2)C1 1498230329 ZTLPHUVWDCCRJP-VHSXEESVSA-N 318.333 -0.115 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)c2cncs2)C1 1506795942 ZRMYYNIIRRDXLT-RNCFNFMXSA-N 308.363 -0.004 30 20 DBED C#CCN1CCN(c2nnc(CO)n2CCCOCC)CC1 1524620301 GTQIZYYETGJTPG-UHFFFAOYSA-N 307.398 -0.048 30 20 DBED CCN(CCNC(=O)[C@@H](C)CC(N)=O)C(=O)c1cc(C#N)c[nH]1 1528995393 OWAKDUXXOITPLA-JTQLQIEISA-N 319.365 -0.024 30 20 DBED C=C[C@H](CO)NCc1cc(O)n2ncc(-c3nn[nH]n3)c2n1 1573351753 QFOVGSBFUMOYTQ-SSDOTTSWSA-N 302.298 -0.749 30 20 DBED Cc1onc(CC(=O)N[C@@H]2CN(C(=O)O)C[C@@H]2CO)c1C#N 1574207984 JXWIABISSOPDOU-LDYMZIIASA-N 308.294 -0.516 30 20 DBED C#CCCN1CCN(c2cnc(C#N)c(-c3nn[nH]n3)n2)CC1 1588346831 GIFIVHWEWNRUSD-UHFFFAOYSA-N 309.337 -0.326 30 20 DBED C#CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[nH]n1 1588359025 XBRBMLWKBLYTQE-UHFFFAOYSA-N 308.279 -0.314 30 20 DBED C#CCOCCNS(=O)(=O)c1cncc(-c2nn[nH]n2)c1 1588363451 GVBMWMQRNLPISR-UHFFFAOYSA-N 308.323 -0.810 30 20 DBED COCCc1nc(Cn2c(C)nc(C#N)c2-c2nn[nH]n2)no1 1591447826 HUCOMRVNEBLUIX-UHFFFAOYSA-N 315.297 -0.137 30 20 DBED CSc1nc(O)c(C(=O)NC[C@](C)(O)C(=O)O)cc1C#N 1594189110 PMJXQKWVJLZXJZ-LBPRGKRZSA-N 311.319 -0.054 30 20 DBED COC(=O)CN(CC(=O)O)S(=O)(=O)CC1(CC#N)CC1 1598862301 AQJLVJXSQLORIA-UHFFFAOYSA-N 304.324 -0.430 30 20 DBED COCCN(C)CCNC(=O)N1CCC(C#N)(C(=O)O)CC1 1599230760 GTKDTVARIJEIJT-UHFFFAOYSA-N 312.370 -0.035 30 20 DBED N#Cc1ccc(C(=O)N2CC(NC(=O)[C@@H]3C[C@@H]3C(=O)O)C2)[nH]1 1601092385 MIECXJKPVGUYRH-ZJUUUORDSA-N 302.290 -0.452 30 20 DBED C=CCOCC(=O)N(C)CCNc1cnc(-c2nn[nH]n2)cn1 1602866900 PDLPZMRDJDTNBT-UHFFFAOYSA-N 318.341 -0.270 30 20 DBED C[C@H](C(=O)NC1(CC(=O)O)CCOCC1)n1cnc(C#N)n1 1603155719 KOMJCENFQHUPSM-SECBINFHSA-N 307.310 -0.149 30 20 DBED COCCN(C)CCCNc1cnc(-c2nn[nH]n2)c(C#N)n1 1605093645 AYVAUFSQXLQGQC-UHFFFAOYSA-N 317.357 -0.091 30 20 DBED O=C(/C=C/c1ccccc1-c1nn[nH]n1)N[C@@H]1CCN(O)C1=O 1606484919 JKJVFKVMZYXJAO-MVIFTORASA-N 314.305 -0.014 30 20 DBED C#CCCN[C@H]1CCN(C(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 1731434119 TVMZEQAUDOMUPC-AAEUAGOBSA-N 301.350 -0.421 30 20 DBED C=CCOCC(=O)NCCN1CCN([C@H](C)C(=O)NC)CC1 1752363243 MADLSSZHSKLRPT-CYBMUJFWSA-N 312.414 -0.943 30 20 DBED C#CCNC(=O)CN[C@@H](CNC(=O)[C@@H](C)n1cccn1)C1CC1 1752452037 RNIAQAIDGZZSHX-OCCSQVGLSA-N 317.393 -0.322 30 20 DBED COCC#CCN1CCC[C@H]1CNC(=O)CCn1ccnn1 1753106328 WKSIDDPXFLUDSA-AWEZNQCLSA-N 305.382 -0.101 30 20 DBED C#CCO[C@H](C)C(=O)NCCN(C1CC1)[C@H]1CCC(=O)NC1=O 1753154410 HVHJXEPJLDVTPO-YPMHNXCESA-N 321.377 -0.590 30 20 DBED CCc1cc(C(=O)NC[C@H](CC)NCC(=O)NCC#N)no1 1753496100 PDDQVTOKUPGRGS-JTQLQIEISA-N 307.354 -0.025 30 20 DBED C#CCNC[C@H](O)CNC(=O)c1cc([C@@H]2CCCN2C)[nH]n1 1753920002 MHVGIKQZHFVZEZ-FZMZJTMJSA-N 305.382 -0.510 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H](C)CNCc1cn(C)nn1 1754229754 RMKSVLFABCJADI-OCCSQVGLSA-N 304.398 -0.493 30 20 DBED C[C@@H](C(=O)NC(N)=O)N(C)C[C@@H](C)NC(=O)CSCC#N 1754303382 UPMBABWUFZHVQS-BDAKNGLRSA-N 315.399 -0.737 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCN1CC(=O)NCC 1754486731 USHLCEMFXHUZNR-KBPBESRZSA-N 306.410 -0.589 30 20 DBED C=CCNC(=O)CN1CC[C@](C)(NC(=O)c2[nH]c(O)nc2C)C1 1754675301 MNFAWZDAAZLLCW-HNNXBMFYSA-N 321.381 -0.080 30 20 DBED C=CCN1CC[C@](O)(CNC(=O)c2ccnc3[nH]nnc23)C1 1754752783 PSPBIVKALVUPBU-AWEZNQCLSA-N 302.338 -0.295 30 20 DBED C#CCCN1CC(O)(CNC(=O)Cc2ccc(OC)cn2)C1 1754772296 DVAAGEUKBAIRKS-UHFFFAOYSA-N 303.362 -0.181 30 20 DBED C#CCN1CC(CCO)(NC(=O)c2cc(C)c(C(N)=O)cn2)C1 1755336131 HSQUANFZEQRKOA-UHFFFAOYSA-N 316.361 -0.711 30 20 DBED C=CCNC(=O)CN[C@H]1C[C@@H](C)N(C(=O)c2nccnc2N)C1 1755675316 XLWFHSWUPFWGJY-MNOVXSKESA-N 318.381 -0.446 30 20 DBED C[C@H]1[C@H](NC(=O)Cn2cccn2)CCCN1CC(=O)NCC#N 1755713625 BAMHPRDAZLUQCU-QWHCGFSZSA-N 318.381 -0.508 30 20 DBED CN(C[C@H](O)CNCC#N)C(=O)c1ccc2c(c1)nnn2C 1755793065 MRPXHUZPTVYDTL-LLVKDONJSA-N 302.338 -0.486 30 20 DBED C=CCC(C)(C)C(=O)NC[C@H](CO)NC(=O)C1(C(N)=O)CC1 1756522634 NNNIPBXRNQTSMQ-SNVBAGLBSA-N 311.382 -0.553 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@H](O)CN(C)C(=O)c1ccn(C)n1 1756663985 WWSADPMHYILRAF-XHDPSFHLSA-N 324.381 -0.704 30 20 DBED CN(C(=O)Cn1cnnn1)C1CC(NC(=O)C#CC2CC2)C1 1756733939 IOZXLKIWOYSGFY-UHFFFAOYSA-N 302.338 -0.808 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnsn1)CCO2 1783047366 AHWNCVHJOKJLRM-CYBMUJFWSA-N 306.347 -0.385 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccn(CC)n1 1794881172 ZUAQFHWTGGUMSM-JJLQDPRZSA-N 316.361 -0.261 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)n1cccn1 1801387887 LHHTUSOFKJHVKL-GUIRCDHDSA-N 316.361 -0.333 30 20 DBED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)COC)CCO2 1831633262 FFAJUMCNMZCRFU-CZUORRHYSA-N 324.377 -0.642 30 20 DBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)COC)C2)C1 1839806163 CYJARSSLTRENEK-XJKSGUPXSA-N 324.377 -0.642 30 20 DBED O=C(O)C#CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C#CC1CC1 1847746472 AKVQADCOVSWUIS-STQMWFEESA-N 300.314 -0.310 30 20 DBED C=CC1CCN(C(=O)C(=O)Nc2cnn(CC(N)=O)c2)CC1 111912528 MPXXVARFZCCHTD-UHFFFAOYSA-N 305.338 -0.269 30 20 DBED Cn1c(NCCN2CCCOCC2)c(C#N)c(=O)n(C)c1=O 188491042 WSJKMZVUHSDOOF-UHFFFAOYSA-N 307.354 -0.910 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCCC[C@H]2[C@H](C)N)C1=O 262747419 KZYWPEHMBQICHH-QWRGUYRKSA-N 322.365 -0.309 30 20 DBED C/N=C(\NCc1cccn1C)NC1CCN(CC(=O)NC)CC1 262794107 PCCAMYUHRCPOGW-UHFFFAOYSA-N 320.441 -0.100 30 20 DBED C[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C(N)=O 268755798 XMVRMPBCLYKYTE-DTWKUNHWSA-N 324.362 -0.785 30 20 DBED C=CCNC(=O)CNC(=O)NC1CCN([C@@H]2CCC[C@H]2O)CC1 271937310 ASAVDICVYURBOS-ZIAGYGMSSA-N 324.425 -0.034 30 20 DBED Cc1ccnc(N2CCN(CCS(N)(=O)=O)CC2)c1C#N 273402531 WMWMFFJNHGFEQK-UHFFFAOYSA-N 309.395 -0.328 30 20 DBED N#CCCCCS(=O)(=O)NCCn1cc(C(=O)O)nn1 277319234 MCWOXQMHFCRRRE-UHFFFAOYSA-N 301.328 -0.410 30 20 DBED C#CCOc1ccc(F)cc1NC(=O)C(=O)N[C@@H](CO)COC 280450524 NELVEHUJJCRBHZ-NSHDSACASA-N 324.308 -0.100 30 20 DBED COCCN(CCC#N)S(=O)(=O)NCc1cnn(C)c1C 281822007 UFVIKCDZTUFKTQ-UHFFFAOYSA-N 315.399 -0.075 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)NCCCN1C(=O)CCC1=O 283068040 UOSDYIIZHMKQEO-SNVBAGLBSA-N 316.383 -0.406 30 20 DBED C=CCN(CCC#N)S(=O)(=O)CCCS(=O)(=O)N(C)C 292574373 IZDOWXAYJDYAMS-UHFFFAOYSA-N 323.440 -0.001 30 20 DBED N#Cc1ccc(S(=O)(=O)NCCCCS(N)(=O)=O)cc1 292807409 MTWIPRIQCRWPIP-UHFFFAOYSA-N 317.392 -0.095 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCN(C(=O)C(=O)NC(C)C)CC1 294352995 JDWVUSGSIQKTSS-LBPRGKRZSA-N 309.366 -0.780 30 20 DBED Cn1ncc2c1CCC[C@@H]2N/C(O)=N/CCS(N)(=O)=O 330397184 KUMGCAKQQOTQRX-VIFPVBQESA-N 301.372 -0.410 30 20 DBED CNC(=O)c1ccc(/C(O)=N/C[C@H]2CN(C)CCN2C)cn1 330704668 RHILDRFCMSZIBC-LBPRGKRZSA-N 305.382 -0.008 30 20 DBED CC(C)(O)[C@H]1CCCN1S(=O)(=O)N1CCO[C@@H](C#N)C1 336900550 BJFMTJQDRHZLJE-WDEREUQCSA-N 303.384 -0.309 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)NC[C@H]1CCCCS1(=O)=O 336934726 DWDHUUDYXHYJNV-GHMZBOCLSA-N 323.440 -0.120 30 20 DBED CS(=O)(=O)N1CCN(CC(=O)NCCCCC#N)CC1 346140504 YDGAGPSEDOQIJJ-UHFFFAOYSA-N 302.400 -0.626 30 20 DBED CNS(=O)(=O)c1ccc(C(=O)N[C@@](C)(C#N)COC)o1 353443340 WUMSFPIKGQDNDU-NSHDSACASA-N 301.324 -0.154 30 20 DBED C=CCn1cc(CNC(=O)N2CCN(CCOC)C(=O)C2)nn1 425566752 QXLXMUXOGVAELY-UHFFFAOYSA-N 322.369 -0.536 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CC[C@@H](CS(C)(=O)=O)C1 490421981 WKQBDCACWNKPMD-LLVKDONJSA-N 323.440 -0.167 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)C2(COC)CC2)CC1 490924461 PHXCPKVPXDYOFC-UHFFFAOYSA-N 307.394 -0.303 30 20 DBED C#CCN(C)C(=O)c1cnc2c(c1C)c(=O)n(C)c(=O)n2C 491760692 SFKYPBYRKVBQKK-UHFFFAOYSA-N 300.318 -0.354 30 20 DBED N#C[C@@]1(NC(=O)CNC(=O)Cc2ccc(O)cc2)CCOC1 548140648 KCCREWJFETUYJV-HNNXBMFYSA-N 303.318 -0.150 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@H](CC(=O)O)OC 567170936 QFGSREZAONHBIS-UWVGGRQHSA-N 307.372 -0.208 30 20 DBED COC[C@]1(C(=O)O)CCN(S(=O)(=O)N(C)[C@@H](C)CC#N)C1 593271535 IEKKJHFFNRZNIL-JQWIXIFHSA-N 319.383 -0.112 30 20 DBED CS(=O)(=O)N1CC[C@@H](NC(=O)N2CC[C@@](F)(C#N)C2)C1 593447722 IHDPVDVGFLQGFZ-MWLCHTKSSA-N 304.347 -0.333 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H](CCSC)C(N)=O 599403553 BLNCPZKNPGRUAH-ZJUUUORDSA-N 322.456 -0.091 30 20 DBED CN(C[C@H]1CCC[C@@H]1O)C(=O)C(=O)N1CCN(CCC#N)CC1 601476195 JJPLAWIEECXYJO-KGLIPLIRSA-N 322.409 -0.336 30 20 DBED N#CCCN1CCN(C(=O)C(=O)NCc2ccccn2)CC1 602223757 YUGOVRPTWTVTAK-UHFFFAOYSA-N 301.350 -0.244 30 20 DBED Cn1c(=O)c2c(ncn2CCN2CC[C@](F)(C#N)C2)n(C)c1=O 615646607 PLOAQNAZIJWFCI-AWEZNQCLSA-N 320.328 -0.629 30 20 DBED CCC#C[C@H](C)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 682434974 OQBCKVVZXUZLFQ-LBPRGKRZSA-N 305.382 -0.250 30 20 DBED N#CCN(CC(=O)O)C(=O)CNC(=O)Cc1cccc(F)c1 739078755 MDNWITPJCDMXMP-UHFFFAOYSA-N 307.281 -0.079 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1cc(C(N)=O)c[nH]1 750418639 QPHHCIAWLKESDD-ZETCQYMHSA-N 308.294 -0.329 30 20 DBED C#CCOCCNC(=O)C(=O)Nc1ccc(-n2cccn2)nc1 785157036 WHMSZCCWNYHFGJ-UHFFFAOYSA-N 313.317 -0.028 30 20 DBED COCC#CCOC(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 786365966 OTGDMEUKVWNFBP-OXHZDVMGSA-N 321.329 -0.268 30 20 DBED C[C@H](NC(=O)C(=O)NCCS(C)(=O)=O)c1ccc(C#N)cc1 787346251 AWHBTYAWTGVRKZ-JTQLQIEISA-N 323.374 -0.104 30 20 DBED CC(C)(C#N)CS(=O)(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 790041853 JTRBUIZSWHOOQE-SNVBAGLBSA-N 323.440 -0.263 30 20 DBED C=CCN1CC[C@@H](OC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1=O 798613501 FHODSZZDDOOEGU-SNVBAGLBSA-N 317.305 -0.599 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2ccn(C)c2C)CC1 798953307 YNELFXHPLIUWHW-UHFFFAOYSA-N 302.378 -0.159 30 20 DBED C#CCC[C@@H](O)CNC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C 799077089 YQGURFFYSKYWQA-MNOVXSKESA-N 304.412 -0.159 30 20 DBED CC(=O)OCCCS(=O)(=O)NC1CCN(CC#N)CC1 804987479 BPGGREZDMXZDLU-UHFFFAOYSA-N 303.384 -0.153 30 20 DBED C#CCCCNC(=O)C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 806914047 MSVQWFISLURMBQ-OAHLLOKOSA-N 320.437 -0.246 30 20 DBED COc1ccc([C@@H](O)CNC(=O)NCC(=O)NCC#N)cc1 807551677 BSIKSHKEZGQPDU-LBPRGKRZSA-N 306.322 -0.332 30 20 DBED C#C[C@H](NC(=O)C(=O)N(CCO)CC(F)F)[C@H]1CCCO1 809308205 GSMSZMHJOLHHNW-VHSXEESVSA-N 304.293 -0.631 30 20 DBED C=CCN1CCN(CN2CC(n3cc(C(=O)OC)nn3)C2)C1=O 840048559 NSGGOTVKULGFCU-UHFFFAOYSA-N 320.353 -0.198 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N1CCCC2(C1)OCCO2 850709726 FQCKGVJFXSZBME-UHFFFAOYSA-N 324.377 -0.150 30 20 DBED C#CCN1CCN(C(=O)CN2CC[C@@H]3NC(=O)CC[C@H]3C2)CC1 852497438 VTYAXYAIGHOCQN-GJZGRUSLSA-N 318.421 -0.636 30 20 DBED C#C[C@@](C)(CC)NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 854695647 GKZGLMJESBHQJV-HNNXBMFYSA-N 317.349 -0.648 30 20 DBED C=CCN(C(=O)[C@@H]1CCOC(=O)N1)[C@H]1CCS(=O)(=O)C1 858679891 JXJRGIXJFCJWAM-UWVGGRQHSA-N 302.352 -0.313 30 20 DBED C#CCNS(=O)(=O)N1CCN(Cc2cnns2)CC1 859215278 ARQUKBYUIKPYSC-UHFFFAOYSA-N 301.397 -0.877 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N1CCCN(C(C)=O)CC1 875598919 BNWFHNRGLZDWNL-AWEZNQCLSA-N 323.393 -0.388 30 20 DBED COC(=O)c1ccn(CC(=O)N2CCN(C3CC3)[C@H](C#N)C2)n1 878821901 YWQBSLFTBQFOHC-GFCCVEGCSA-N 317.349 -0.132 30 20 DBED C#CCN1CCC[C@@H](NC(=O)c2ccc(=O)n(CCOC)n2)C1 923589425 QVIYLYIWMNWXOS-CYBMUJFWSA-N 318.377 -0.283 30 20 DBED CN(C(=O)[C@H]1COCCO1)[C@H]1CCN(C(=O)C#CC2CC2)C1 937347437 LTMVWVHWIOTETE-UONOGXRCSA-N 306.362 -0.126 30 20 DBED C=C(C)C(C)(C)C(=O)N1CC[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 938572968 TUHIISACWQOACB-WDEREUQCSA-N 308.382 -0.013 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)C[C@@H]1C 948011334 HULSVCVRRGMGSD-QWHCGFSZSA-N 320.393 -0.127 30 20 DBED C#CCN1CCOC2(CCN(C(=O)[C@@H]3CC[C@H]3C(N)=O)CC2)C1 949430670 ZINRKXZEVKKXET-ZIAGYGMSSA-N 319.405 -0.176 30 20 DBED CN(C(=O)[C@H]1COCCO1)C1CN(C(=O)c2cc(C#N)c[nH]2)C1 953770164 VNPATZHBLALIRF-CYBMUJFWSA-N 318.333 -0.415 30 20 DBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CCCN1C(=O)C(N)=O 956188330 IOMVWAUVITZMDV-AVGNSLFASA-N 323.393 -0.050 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H]1CNC(=O)c1cc(=O)n(C)o1 956189255 SWTUDFMTSIUPIW-UWVGGRQHSA-N 306.322 -0.141 30 20 DBED CC#CCN1C[C@H](CNC(=O)c2ccc(=O)n(C)c2)[C@@H](O)C1 958202389 DXMRWOMXYCHIGJ-KBPBESRZSA-N 303.362 -0.569 30 20 DBED CC(=O)Nc1cc(C(=O)NC[C@H]2CN(CC#N)C[C@H]2O)ccn1 958488501 BBLGDKSSTRGILT-QWHCGFSZSA-N 317.349 -0.414 30 20 DBED C#CCN1C[C@H](CNC(=O)c2cnn3c2CCCC3)[C@@H](O)C1 958559719 SDFACXWRXHVQLC-WFASDCNBSA-N 302.378 -0.125 30 20 DBED C#CCCN1C[C@H](O)[C@H](CNC(=O)c2c[nH]c(C(N)=O)c2)C1 958673578 SYPCYAHVXNFDGU-YPMHNXCESA-N 304.350 -0.841 30 20 DBED C[C@@H]1OCCO[C@@H]1C(=O)N1C[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2C1 961824265 ZFTMVUGKBGLUME-BJJPWKGXSA-N 321.377 -0.133 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)c1ccncn1 964317218 CEUIHKGZWSQSNS-QWRGUYRKSA-N 303.322 -0.407 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC2(CN(C(=O)c3cocn3)C2)C1 965474131 QNUXJRKOEHPBHI-JTQLQIEISA-N 304.306 -0.112 30 20 DBED C=CCn1cccc1C(=O)N[C@H]1CN(C(=O)C(N)=O)C[C@H]1C 966767216 WSIZXAKOMLOSJW-MNOVXSKESA-N 304.350 -0.264 30 20 DBED C#CCN(C)[C@H]1CCN(C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)C1 971962873 FCJUKQPAPZDVNU-MJBXVCDLSA-N 307.394 -0.035 30 20 DBED COc1cc(C(=O)N[C@H]2[C@@H]3CN(C(=O)[C@@H](C)C#N)C[C@@H]32)ncn1 976559548 FXROPTMPACYZGH-QISWUMQESA-N 315.333 -0.169 30 20 DBED C=CCN[C@H]1CN(C(=O)CN2CCC(=O)NC2=O)CC1(C)C 996495193 HPMRVESKROTNLX-NSHDSACASA-N 308.382 -0.059 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)c3cc[n+]([O-])cc3)C2)nc1 997071112 YASIOLKORABEMT-UHFFFAOYSA-N 322.324 -0.049 30 20 DBED CC(=O)N1CC[C@](C)(C(=O)NC2CN(C(=O)[C@H](C)C#N)C2)C1 999701157 FGCAGBRVELKALK-BMIGLBTASA-N 306.366 -0.268 30 20 DBED N#CCN1CC[C@H](n2cc(CNC(=O)[C@@H]3CCCO3)nn2)C1 999964169 XOGAMWKBMWWMQT-STQMWFEESA-N 304.354 -0.156 30 20 DBED C=CCN1CC[C@@H](N2CCC[C@H](NC(=O)c3cnn[nH]3)C2)C1=O 1007757583 ASYKSHKVACRQNT-WCQYABFASA-N 318.381 -0.214 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C(=O)c2ccc(=O)n(C)n2)CC1 1012331721 YANBEHHAWSSYAC-JTQLQIEISA-N 303.322 -0.776 30 20 DBED C[C@H](C#N)C(=O)N1CCC2(CN(C(=O)CN3CCCC3=O)C2)C1 1018761123 LEPVCEPLBVSVPS-GFCCVEGCSA-N 318.377 -0.171 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCN(C(=O)C3(C(N)=O)CC3)C2)C1 1019362788 FJUMDHDPZMOVDK-SNVBAGLBSA-N 304.350 -0.528 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](NCc2nnnn2C)C1 1019405666 OLOIBVFITFNOOU-TUAOUCFPSA-N 306.370 -0.508 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NCc2nc(O)n[nH]2)C1 1022220451 DVYMIGZJSHJHPA-TUAOUCFPSA-N 318.381 -0.655 30 20 DBED CC#CCN1CC(NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 1030309830 RRWXZIFDQSYMAC-LLVKDONJSA-N 301.350 -0.414 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN([C@@H]2CCN(C)C2=O)C1 1030463872 YVAZFOCTDVSADF-UONOGXRCSA-N 304.394 -0.885 30 20 DBED C#CCN1CC(CNC(=O)c2cnc3c(c2)NC(=O)CO3)C1 1031817728 QOCPXPIKMJWHFK-UHFFFAOYSA-N 300.318 -0.293 30 20 DBED O=C1CC[C@H](NC[C@H]2CCCN2C(=O)C#CC2CC2)C(=O)N1 1034934603 AMPMWPRZPHUJDC-OLZOCXBDSA-N 303.362 -0.214 30 20 DBED C#CCCN1CCO[C@@H](CNC(=O)c2ccc(=O)n(C)c2)C1 1035427223 FEWPXQDOOYITNO-AWEZNQCLSA-N 303.362 -0.161 30 20 DBED C#CCCN1CCO[C@@H](CNC(=O)[C@H]2CN(C(C)=O)CCO2)C1 1035593750 ZOOASTWBJLZFIL-LSDHHAIUSA-N 323.393 -0.926 30 20 DBED C#CCN1CC[C@H]2CN(C(=O)CN3CCOCC3=O)CC[C@@H]21 1036738231 DDPJHSOMFQMESJ-KBPBESRZSA-N 305.378 -0.599 30 20 DBED C#CCN1CC[C@H]2CN(C(=O)CC3CS(=O)(=O)C3)CC[C@H]21 1036752825 GSNHLBATXXZKQA-UONOGXRCSA-N 310.419 -0.023 30 20 DBED C#CCCN1CC[C@H]2CN(C(=O)CN3C(=O)CNC3=O)CC[C@@H]21 1036887942 ADBAGEDEJWBIJV-STQMWFEESA-N 318.377 -0.516 30 20 DBED C#CCN[C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C[C@@H]1CC 1037844755 LKQBOGCZRGWFRN-NWDGAFQWSA-N 318.381 -0.773 30 20 DBED C#CCN[C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C[C@H]1CC 1037844759 LKQBOGCZRGWFRN-VXGBXAGGSA-N 318.381 -0.773 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCN1CCS(C)(=O)=O 1038714134 KAZSUXQXSUIELO-UPJWGTAASA-N 316.423 -0.187 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2CCN2[C@@H](C)C(=O)N(C)C)nn1 1038789050 DXBAOTWJZSGHFO-NWDGAFQWSA-N 320.397 -0.255 30 20 DBED C=C(C)CCN1CC[C@H]1CNC(=O)[C@H]1CCS(=O)(=O)N1 1039025314 XIFAFOCFXYFTEF-NWDGAFQWSA-N 301.412 -0.165 30 20 DBED O=C(C#CC1CC1)NC[C@]1(O)CCN(C(=O)C2=COCCO2)C1 1039684888 FQCVNJLKWSIDQX-MRXNPFEDSA-N 320.345 -0.632 30 20 DBED N#CCN1CCC[C@]2(CCN(C(=O)Cn3c(O)nnc3O)C2)C1 1040510607 QSNIKGJDCSZUGV-AWEZNQCLSA-N 320.353 -0.473 30 20 DBED C=CCCC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1040611088 XROHZDFGZXGCSV-DMEJVMROSA-N 308.378 -0.075 30 20 DBED CCc1nc[nH]c1C(=O)N1CC[C@](O)(CNC(=O)[C@H](C)C#N)C1 1040761655 UXVXNBJKMBLPGM-BMIGLBTASA-N 319.365 -0.175 30 20 DBED N#Cc1cnc(N2C[C@@H](O)[C@H](NC(=O)C3CCOCC3)C2)cn1 1040905493 ZYNWKVDRDSHWAP-CHWSQXEVSA-N 317.349 -0.559 30 20 DBED CC(F)(F)C(=O)NCC1(O)CN(C(=O)c2cc(C#N)c[nH]2)C1 1041138524 VJZRLSBERHYUNZ-UHFFFAOYSA-N 312.276 -0.155 30 20 DBED C=CCCOCC(=O)N1CC(O)(CNC(=O)c2cccnc2)C1 1041199337 FQCPFTZOOLMWKH-UHFFFAOYSA-N 319.361 -0.023 30 20 DBED N#CCN1CC[C@@]2(CCN(C(=O)[C@@H]3CCCN3C(N)=O)C2)C1 1041856296 CXELLURIMVABOO-SWLSCSKDSA-N 305.382 -0.023 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)[C@@H](OC)C(C)C)C1 1042046792 AKHIORQRAMHNKK-ZDUSSCGKSA-N 314.382 -0.451 30 20 DBED Cc1ccncc1C(=O)NCC1(O)CN(C(=O)[C@@H](C)C#N)C1 1042279887 AQOZYJWWCXOUGA-NSHDSACASA-N 302.334 -0.147 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2cc(F)c[nH]2)C1 1043042969 ZVZVIMVPPQLGHW-JTQLQIEISA-N 323.324 -0.505 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)[C@H]2CCCNC2=O)C1 1043476196 FNKHJGDCVZEONQ-NSHDSACASA-N 323.393 -0.586 30 20 DBED C#CCCN1CC(N(C)C(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 1044062002 TYPVAHCRCJUCIZ-UHFFFAOYSA-N 314.349 -0.763 30 20 DBED Cc1nn[nH]c1C(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@@H]1O 1044382534 MYASJFDJUXMGPK-MNOVXSKESA-N 313.321 -0.641 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)CCc2nccs2)C1 1045554277 BOEFJROGOPLQBO-SNVBAGLBSA-N 322.390 -0.075 30 20 DBED C=C[C@@](C)(CC)C(=O)NCC1(O)CN(C(=O)Cn2nccn2)C1 1045782073 BTIVSQPYNXTJHU-AWEZNQCLSA-N 321.381 -0.430 30 20 DBED CN1CC(=O)N(CC(=O)N2CC[C@H]3CC[C@@H](C2)N3CC#N)C1=O 1045887428 CDNKQVQKIRKVKR-NEPJUHHUSA-N 319.365 -0.531 30 20 DBED C=CCN1CC[C@@H](N2CCN(C(=O)[C@H]3CCNC(=O)C3)CC2)C1 1046020361 RDYGZBWAEBFGKI-LSDHHAIUSA-N 320.437 -0.083 30 20 DBED C#CCN1CC[C@H](N2CCN(C(=O)[C@@H]3CCC(=O)NC3)CC2)C1 1046042860 OHCPYDIGYFTSNG-CABCVRRESA-N 318.421 -0.636 30 20 DBED C#CCN1CC[C@@H](N2CCN(C(=O)c3cnn(C)n3)CC2)C1 1046070100 PITPBTDJJZSHIR-CYBMUJFWSA-N 302.382 -0.720 30 20 DBED CN(C(=O)C#CC1CC1)[C@H]1CN(C(=O)CN2CCCC2)C[C@@H]1O 1048824467 AQYABDFQGLZZJW-GJZGRUSLSA-N 319.405 -0.474 30 20 DBED Cc1n[nH]cc1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)C#N)C1 1049407535 HZJDVPGZUDIMJF-ZHAHWJHGSA-N 305.338 -0.479 30 20 DBED CNC(=O)c1ccc(C(=O)NC[C@@H]2COCCN2CC#N)cn1 1051210975 RNZGBHGASILAEK-GFCCVEGCSA-N 317.349 -0.605 30 20 DBED C#CCN1CCN([C@H]2CCN(C(=O)c3cnn(C)c3)C2)CC1 1051978525 VGJLJKGBSCVVTM-HNNXBMFYSA-N 301.394 -0.115 30 20 DBED C[C@H]1CN(C(=O)C#CC(C)(C)C)C[C@@H]1CNC(=O)CNC(N)=O 1052558484 CUZQUVRDNNUVOA-RYUDHWBXSA-N 322.409 -0.085 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)C[C@@H]3CCC(=O)NC3)CO2)C1 1053826670 HKAYOMAHZZQKTL-UONOGXRCSA-N 319.405 -0.115 30 20 DBED CC(=O)N1CCN(c2ccc(C#N)nc2)[C@H]2CS(=O)(=O)C[C@H]21 1054768938 LEQKXYDKRMDWHM-KGLIPLIRSA-N 320.374 -0.213 30 20 DBED C=CCOCC(=O)N1CCC[C@](CO)(NC(=O)c2cnn[nH]2)C1 1056002159 LWNISZKTCDNMJU-AWEZNQCLSA-N 323.353 -0.909 30 20 DBED N#Cc1ccc(N2C[C@@H]3C(NC(=O)Cn4cnnn4)[C@H]3C2)cn1 1056127828 FEGJGOCJBXMSAY-RYUDHWBXSA-N 310.321 -0.809 30 20 DBED N#Cc1nccc(N2C[C@H]3[C@H](NC(=O)c4nccnc4N)[C@H]3C2)n1 1056153193 QOKQSHSAAXOYNQ-GDGBQDQQSA-N 322.332 -0.415 30 20 DBED C=CCCCC(=O)NCCN(CCO)C(=O)[C@H]1COCCO1 1057043357 AJXIRROQNQOTHN-CYBMUJFWSA-N 314.382 -0.305 30 20 DBED Cc1cc(CC(=O)N(CCO)CCNC(=O)C#CC2CC2)n[nH]1 1057322425 QVLVHLPVXYUFBE-UHFFFAOYSA-N 318.377 -0.389 30 20 DBED C=C[C@@](C)(O)CC(=O)N(CCO)CCNC(=O)C[C@H](C)OC 1057450620 VMURFFAMBAVARQ-SWLSCSKDSA-N 316.398 -0.324 30 20 DBED N#Cc1cncc(NCC2CCN(C(=O)CC(N)=O)CC2)n1 1057484528 MONSWRDYPDTELI-UHFFFAOYSA-N 302.338 -0.126 30 20 DBED C#CCO[C@H](C)C(=O)N(CCO)CCNC(=O)c1ccoc1 1057583530 SMNZONJOQNFPHP-GFCCVEGCSA-N 308.334 -0.131 30 20 DBED N#Cc1ccc(N[C@H]2CCCN(C(=O)[C@@H]3CNC(=O)N3)C2)nn1 1057748542 LEONEAPYOKKGNG-QWRGUYRKSA-N 315.337 -0.567 30 20 DBED N#Cc1ccc(N2CC[C@H](NC(=O)[C@H]3CNC(=O)N3)C2)nc1 1058530804 ALNFXKWCVGGSII-WDEREUQCSA-N 300.322 -0.670 30 20 DBED O=C(C#CC1CC1)NCC[C@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 1059573986 IIKGVCYIHRAHAP-QWHCGFSZSA-N 319.361 -0.137 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1C[C@@H](NC(=O)[C@@H]2CCCNC2=O)C1 1059740629 RQRGEKYOCWVMBM-FRRDWIJNSA-N 313.361 -0.040 30 20 DBED C[C@H](NC(N)=O)C(=O)N1CCC2(CC1)CN(C(=O)[C@H](C)C#N)C2 1061113842 ZGUUMWYWLAEGQH-MNOVXSKESA-N 321.381 -0.346 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(NC(=O)[C@H]2CCNC2=O)CCC1 1062870991 RRGCNTLFSZNGPN-XHDPSFHLSA-N 323.393 -0.395 30 20 DBED N#Cc1nccnc1N1CC[C@H]2CN(C(=O)C(N)=O)CC[C@@H]21 1064032497 AIXNIBBAMMGMBY-ONGXEEELSA-N 300.322 -0.739 30 20 DBED C=CCOCC(=O)N1CCO[C@@H](CNC(=O)c2cnn(C)c2)C1 1064977045 SOHHUKLJOASBEG-ZDUSSCGKSA-N 322.365 -0.420 30 20 DBED C[C@@]1(NC(=O)[C@H]2COC(=O)N2)CCN(c2cnc(C#N)cn2)C1 1065251173 RLYNQHYBAQTKMW-QMTHXVAHSA-N 316.321 -0.458 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@H](CNC(=O)CSCC#N)C1 1065557203 ODSJBMFQEHKBPP-GHMZBOCLSA-N 310.379 -0.254 30 20 DBED C=CCOCC(=O)N[C@@H]1CCCN(C(=O)Cn2cncn2)CC1 1065987503 POMUTLUHVLSWFY-CYBMUJFWSA-N 321.381 -0.022 30 20 DBED C#CCCCCCC(=O)N1CC2(C1)CN(C(=O)C(N)=O)CCO2 1068448574 NUIOXKURRIHOPS-UHFFFAOYSA-N 321.377 -0.505 30 20 DBED CC(C)C#CC(=O)N1CC2(CC[C@H](CNC(=O)CC(N)=O)O2)C1 1068544006 VQNWFXYRJRXBQM-GFCCVEGCSA-N 321.377 -0.603 30 20 DBED C=C(C)CCC(=O)NC[C@H]1CCC2(CN(C(=O)C(N)=O)C2)O1 1068581519 DPPHWAWEPYFMQR-LLVKDONJSA-N 309.366 -0.296 30 20 DBED C=CCCOCC(=O)N1CCC[C@@H](NC(=O)c2nnn(C)n2)C1 1070902992 ZUUJDCOMNXFLNH-LLVKDONJSA-N 322.369 -0.476 30 20 DBED C#CCCN1CCNC(=O)CCN(C(=O)c2[nH]nnc2C)CC1 1070985538 QNBCDYNMHUFIMC-UHFFFAOYSA-N 318.381 -0.599 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CCCN(C(=O)c2nnn(C)n2)C1 1071107145 KOXACONIQNULJP-YGRLFVJLSA-N 322.369 -0.742 30 20 DBED CC#CCN1C[C@@H](NC(=O)CN2CCNC(=O)C2)CC[C@@H]1C 1071739799 YLSJRHZEHROBEP-KBPBESRZSA-N 306.410 -0.589 30 20 DBED CC#CCCCC(=O)N1C[C@H](C)[C@@H](NC(=O)c2nnn(C)n2)C1 1072564440 UTHUZLVRWGPKGF-RYUDHWBXSA-N 318.381 -0.020 30 20 DBED C#CCN1CCC2(C1)CN(C(=O)CCn1cc[nH]c(=O)c1=O)C2 1073062844 UYWDIMAWLASWKS-UHFFFAOYSA-N 316.361 -0.906 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CCN(C(=O)Cn2cnnn2)CC1(C)C 1073482578 HULXHYJXTHIYBB-MNOVXSKESA-N 319.369 -0.424 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CCN(C(=O)C#CC2CC2)C[C@H]1C 1073655989 KKYPDUWTMJTJJG-BXUZGUMPSA-N 305.378 -0.111 30 20 DBED C[C@@H]1CN(C)C[C@H](C(=O)NC[C@H]2CN(CC#N)CCCO2)O1 1073661072 VONBWPJBFLILGR-HZSPNIEDSA-N 310.398 -0.564 30 20 DBED CC#CCN1CCO[C@@H]2CCN(C(=O)c3nccnc3N)C[C@H]21 1074195287 SKPZBKFMYUDYTJ-CHWSQXEVSA-N 315.377 -0.003 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)Cc3cncnc3)C[C@H]21 1074225133 BOWUNBSUEFXKNQ-HUUCEWRRSA-N 300.362 -0.046 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)[C@@H]1CCCOC1 1075897252 DLFPZNPCRYNLLK-QWHCGFSZSA-N 323.393 -0.437 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)c2cn(CCOC)nn2)C1 1076984990 OBQKIJUCFNUFAR-DGCLKSJQSA-N 309.370 -0.725 30 20 DBED C[C@@H](CCNC(=O)c1cn(C)c(=O)cn1)NC(=O)[C@H](C)C#N 1077765986 LOOWVAHJOBXZQS-ZJUUUORDSA-N 305.338 -0.435 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)Cn2nc(C)ccc2=O)C1 1078036965 ZLTBQCYTTHKKSB-CHWSQXEVSA-N 306.366 -0.711 30 20 DBED C[C@@H](CCNC(=O)c1ccc(=O)n(C)n1)NC(=O)C#CC1CC1 1078562675 WSXVABNADCSGIT-NSHDSACASA-N 316.361 -0.182 30 20 DBED C#CCN[C@H]1C[C@H]2CC[C@H]1N(C(=O)CN1C(=O)CNC1=O)C2 1079102364 NKUAHGPXOVOKGJ-GRYCIOLGSA-N 304.350 -0.860 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)CCn2ccnn2)C[C@@H]1O 1081335836 PVOOPEKIGWKHLL-OLZOCXBDSA-N 321.381 -0.430 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)Cn2ccnc2)C[C@H]1O 1081341817 UYFRATGFFWPUOU-QWHCGFSZSA-N 322.365 -0.979 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(C(=O)c2cnns2)C[C@@H]1O 1081468351 IQZZFGJUMZNSPM-QWRGUYRKSA-N 320.374 -0.499 30 20 DBED N#CCSCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CCCF)C1 1081659844 CVBHQIFNUXOSDX-WDEREUQCSA-N 317.386 -0.072 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2oncc2C)C1 1081728968 DKSXXADRZUJCPO-NEPJUHHUSA-N 323.349 -0.265 30 20 DBED CCn1nc(C(=O)N[C@@H]2CN(CC#N)C[C@H]2OC)ccc1=O 1082252852 IWGSYPAGZODSID-VXGBXAGGSA-N 305.338 -0.784 30 20 DBED C#CCCN1C[C@@H](NC(=O)C(=O)N2CC[C@@H](C)C2)[C@H](OC)C1 1082313876 WCMRFADJRFZDDR-MGPQQGTHSA-N 307.394 -0.307 30 20 DBED C=C(Cl)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1COC(=O)N1 1083069458 YUDUZMAHYFBEQC-GARJFASQSA-N 315.757 -0.241 30 20 DBED C=CCN1CC[C@H](N2C[C@H](O)[C@H](NC(=O)C3(C)CC3)C2)C1=O 1083480240 ZPYFCZJDTSCNLO-AGIUHOORSA-N 307.394 -0.265 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCCN(C(=O)CC)C2)C1 1083483479 WUMFKBXPUQPJMI-MJBXVCDLSA-N 309.410 -0.018 30 20 DBED CC#CCN1CC[C@@H]2CN(C(=O)Cn3ncn(C)c3=O)[C@@H]2C1 1084467878 WNLJOCNCMGYHNN-CHWSQXEVSA-N 303.366 -0.862 30 20 DBED C#Cc1ccc(C(=O)N(C)C[C@H]2CCN2CC(=O)NC)cn1 1085932477 AMXNTSLRBXHLBM-CQSZACIVSA-N 300.362 -0.045 30 20 DBED N#CCN1C[C@@H]2[C@@H]3CC[C@@H](CN3C(=O)Cn3nccn3)[C@H]2C1 1089812022 KUOXIYGWTWCVKO-CRWXNKLISA-N 300.366 -0.030 30 20 DBED C#CCN1C[C@@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)Cn2ncnn2)C1 1089814141 DBSQFOPEMQIEPD-FQUUOJAGSA-N 300.366 -0.525 30 20 DBED C=CCn1cccc1C(=O)N[C@H]1CCN(CC(N)=O)C[C@H]1O 1090322866 LUAFNCOAMPWDMA-WCQYABFASA-N 306.366 -0.676 30 20 DBED C=CCN1CC[C@H](NC(=O)c2cnc3[nH]nnc3c2)[C@H](O)C1 1090327351 QRGHFRJKGYNODL-CMPLNLGQSA-N 302.338 -0.296 30 20 DBED Cn1cnc2cncc(C(=O)N[C@H]3CCN(CC#N)C[C@H]3O)c21 1090334179 OVANOUWLXPLDAE-WCQYABFASA-N 314.349 -0.343 30 20 DBED Cc1cc(=O)c(C(=O)N[C@@H]2CCN(CC#N)C[C@H]2O)cn1C 1090341026 FVKICFDAPYPANM-TZMCWYRMSA-N 304.350 -0.618 30 20 DBED C=CCN1CC[C@H](NC(=O)c2nc(C)c(C)[nH]c2=O)[C@H](O)C1 1090353184 ZBUARZUBPZFGBY-NWDGAFQWSA-N 306.366 -0.262 30 20 DBED Cc1nc(C(=O)N[C@@H]2CCN(CC#N)C[C@@H]2O)c(=O)[nH]c1C 1090356743 YCNLDSVWLWKTED-MNOVXSKESA-N 305.338 -0.925 30 20 DBED CC[C@H](C)OCC(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1O 1090409935 SMUBQXPOBUDLOF-CYZMBNFOSA-N 319.365 -0.171 30 20 DBED COc1ccnc(N2C[C@@H](O)[C@H](NC(=O)C#CC(C)C)C2)n1 1090410424 ARAHNKRGZRGZHU-VXGBXAGGSA-N 304.350 -0.190 30 20 DBED C=CCCN1CC[C@@H](NC(=O)Cn2nnnc2C(C)C)[C@@H](O)C1 1090635096 ZIVIMTLTQPGACI-OLZOCXBDSA-N 322.413 -0.076 30 20 DBED C=CCN1CC[C@@H](NC(=O)Cn2nc(C)ccc2=O)[C@@H](O)C1 1090749989 YRZXGEPBCKYJSL-OLZOCXBDSA-N 306.366 -0.711 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)C2CCN(C(N)=O)CC2)[C@@H](O)C1 1090797458 ZKQXZDBRZBOSGX-KBPBESRZSA-N 324.425 -0.095 30 20 DBED CO[C@H]1COCC[C@H]1CC(=O)NCCN=c1cc[nH]c(C#N)n1 1093934908 IOMTXUVRLALIDK-RYUDHWBXSA-N 319.365 -0.260 30 20 DBED Cn1cnc2cncc(C(=O)NCCN=c3cc[nH]c(C#N)n3)c21 1094218713 LJRHTTSTEKDEER-UHFFFAOYSA-N 322.332 -0.106 30 20 DBED Cc1nocc1C(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1 1094778797 JOIHHJPIUQRTQU-SNVBAGLBSA-N 303.322 -0.479 30 20 DBED N#Cc1ccc(N[C@@H]2CCN(C(=O)C(=O)NCC(F)F)C2)nn1 1095071063 LNIVTPOMCGPXEZ-SECBINFHSA-N 324.291 -0.258 30 20 DBED CC(=O)N(C)CC(=O)N[C@H]1CCCN(c2nccnc2C#N)C1 1096167198 GUXXUBQTMCUJLN-LBPRGKRZSA-N 316.365 -0.088 30 20 DBED CCS(=O)(=O)CC(=O)N[C@H]1CCN(c2cnc(C#N)cn2)C1 1096389807 LYTIDZDZMQLZOJ-JTQLQIEISA-N 323.378 -0.522 30 20 DBED CCN1CCO[C@H](C(=O)NC[C@@H](C)Nc2cncc(C#N)n2)C1 1097874284 FSMNFTPBKCJPLJ-YPMHNXCESA-N 318.381 -0.014 30 20 DBED CCN1CCO[C@@H](C(=O)NC[C@@H](C)Nc2nccnc2C#N)C1 1097875224 RHONPHOXGRWAFG-DGCLKSJQSA-N 318.381 -0.014 30 20 DBED C[C@@H](CNC(=O)CCn1cnnn1)Nc1cnc(C#N)cn1 1098009988 QBYCCXDDSWWOCX-VIFPVBQESA-N 301.314 -0.658 30 20 DBED C[C@H](CNC(=O)CN1CCCNC1=O)Nc1nccnc1C#N 1098420132 HBOHZKKMGDPWBT-SNVBAGLBSA-N 317.353 -0.320 30 20 DBED CC#CCN1CC[C@H](NC(=O)CCc2ccnn2C)[C@@H](O)C1 1099861169 OELRRWITEDRPFX-GJZGRUSLSA-N 304.394 -0.073 30 20 DBED C#CCCN1CC[C@H](NC(=O)C(C)(C)NC(=O)NCC)[C@@H](O)C1 1100024980 ROCVQRWRMZPMKZ-STQMWFEESA-N 324.425 -0.341 30 20 DBED CN(CCNC(=O)[C@H]1COCCN1C)c1ccc(C#N)cn1 1100028070 DVGCXEGNBURGDL-CYBMUJFWSA-N 303.366 -0.164 30 20 DBED C=CCCCN1CC[C@H](NC(=O)CN2C(=O)CNC2=O)[C@H](O)C1 1100101376 LMLRFMQGYWGKBB-NWDGAFQWSA-N 324.381 -0.944 30 20 DBED Cc1cc(N(C)CCNC(=O)[C@H]2CNC(=O)N2)c(C#N)cn1 1100292519 DXAGGRPLSLEFAY-LLVKDONJSA-N 302.338 -0.505 30 20 DBED CC[C@H](NC(C)=O)C(=O)NCCN(C)c1nccnc1C#N 1100339843 CRFMTPZABAXSAV-NSHDSACASA-N 304.354 -0.185 30 20 DBED CCN(CCNC(=O)C[C@H]1CCC(=O)N1)c1cnc(C#N)cn1 1100568494 JDLRLLORPFATLD-LLVKDONJSA-N 316.365 -0.041 30 20 DBED CCN(CCNC(=O)[C@@H]1CNC(=O)N1)c1ccc(C#N)nc1 1100698770 LJBKVABSKZRPFI-LBPRGKRZSA-N 302.338 -0.423 30 20 DBED C#CCCNC1CC(CNC(=O)CCn2cc[nH]c(=O)c2=O)C1 1100763991 JJHGHRTUHPLXNM-UHFFFAOYSA-N 318.377 -0.566 30 20 DBED C=CCNC(=O)[C@@H](C)NC1CC(CNC(=O)Cc2nc[nH]n2)C1 1100848360 IVVOWHJGBJNLII-VOMCLLRMSA-N 320.397 -0.478 30 20 DBED CN(CCNc1ccc(C#N)nn1)C(=O)CCn1ccnn1 1101563282 XANMTISDHMNXNG-UHFFFAOYSA-N 300.326 -0.100 30 20 DBED C#CCN1C[C@@H](C)[C@H](CNC(=O)[C@H](CCC)S(N)(=O)=O)C1 1102188096 YGQRHAJEFVJHQB-UPJWGTAASA-N 315.439 -0.239 30 20 DBED C[C@@](CNc1cnc(C#N)cn1)(NC(=O)CNC(N)=O)C1CC1 1103481085 FFKKCAKHAZIBIU-AWEZNQCLSA-N 317.353 -0.287 30 20 DBED C[C@](CN=c1cc[nH]c(C#N)n1)(NC(=O)CNC(N)=O)C1CC1 1103481566 TWBMMUMHFHYNOV-CQSZACIVSA-N 317.353 -0.865 30 20 DBED C[C@H](CNC(=O)Cn1cnnn1)CNc1ccc(C#N)nn1 1103852309 UOJSQUKMYZBMAS-VIFPVBQESA-N 301.314 -0.801 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H](C)CNc1cnc(F)cn1 1103956481 SADWKPSYYUVRGY-JTQLQIEISA-N 307.329 -0.081 30 20 DBED CCNC(=O)CC(=O)NC[C@@H](C)CN=c1cc[nH]c(C#N)n1 1103957901 AHTGYZGZVOBJQR-JTQLQIEISA-N 304.354 -0.539 30 20 DBED Cc1cc(C(=O)NC[C@@H](O)CNc2cnc(C#N)cn2)no1 1105710347 ZYSDKHYIWZRRFS-JTQLQIEISA-N 302.294 -0.153 30 20 DBED N#Cc1nccnc1NC[C@H](O)CNC(=O)c1cccc(O)n1 1105776859 XECHKWSRTATANG-VIFPVBQESA-N 314.305 -0.348 30 20 DBED CCNC(=O)CC(=O)NC[C@@H](O)CNc1ccc(C#N)cn1 1105794909 PGSIACSLWMEGMV-NSHDSACASA-N 305.338 -0.632 30 20 DBED Cn1ccc(C(=O)NC[C@H](O)CNc2cncc(C#N)n2)n1 1105854831 ADKTUBWUZSQVNA-SNVBAGLBSA-N 301.310 -0.715 30 20 DBED Cc1nc(O)[nH]c1C(=O)NC[C@H](O)CNc1ccc(C#N)nc1 1106001147 QDXPESJNRXEDGE-LLVKDONJSA-N 316.321 -0.107 30 20 DBED C[C@H](CC(=O)NC/C=C\CNc1ccc(C#N)nn1)NC(N)=O 1107350219 FMIRIRVLKKHFCR-MXQLGCADSA-N 317.353 -0.121 30 20 DBED C#CCOCCC(=O)NC[C@]1(C)CN([C@H](C)C(N)=O)CCO1 1107939606 GMYGCGPZLRHULA-IUODEOHRSA-N 311.382 -0.893 30 20 DBED CCCN1C[C@@H](C(=O)NC[C@@]2(C)CN(CC#N)CCO2)CC1=O 1108250165 PJVJPEKEIKCZFU-BBRMVZONSA-N 322.409 -0.024 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H](C)CNc1nccn2nnnc12 1108337883 PAEQOIOZXQPPLV-TVQRCGJNSA-N 305.342 -0.237 30 20 DBED CCN(C)C(C)(C)C(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1 1108553498 NHIJVUDGRMXDNM-LBPRGKRZSA-N 321.425 -0.358 30 20 DBED C=CCCCC(=O)N[C@@H]1CC(=O)N(C2CN(CC(=O)NC)C2)C1 1108567768 AZEIPAANENCUFQ-GFCCVEGCSA-N 322.409 -0.510 30 20 DBED C[C@@H](CN(C)c1ccnc(C#N)n1)NC(=O)[C@H]1CCNC(=O)C1 1108894923 NQAYYJLEGIOZRB-QWRGUYRKSA-N 316.365 -0.185 30 20 DBED C[C@H](CN(C)c1nccnc1C#N)NC(=O)[C@@H]1COC(=O)N1 1108926686 IOMDDSBWWFPJJE-SCZZXKLOSA-N 304.310 -0.602 30 20 DBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C[C@@H]1CCCO1 1108959633 BTVPHZYLMGVPNV-RFGFWPKPSA-N 320.393 -0.083 30 20 DBED N#Cc1nccnc1N1C[C@H]2C[C@H]1[C@@H]2NC(=O)CCn1ccnn1 1109696543 ABDTXWATYMANCS-SCDSUCTJSA-N 324.348 -0.277 30 20 DBED N#Cc1nccc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)C2(C(N)=O)CC2)n1 1109739582 CPYWCJKSVSIUCZ-VDDIYKPWSA-N 312.333 -0.693 30 20 DBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H]1CCCOC1 1110374488 FHMNZVDQMHSNCW-SYQHCUMBSA-N 320.393 -0.226 30 20 DBED CC(=O)NCC(=O)N[C@@]1(C)CCN(c2cncc(C#N)n2)C1 1110718477 IOXQSYPZCFCZJK-AWEZNQCLSA-N 302.338 -0.431 30 20 DBED C[C@@]1(CNc2ccc(C#N)nn2)CCN(C(=O)CNC(N)=O)C1 1110829156 SDRNCWIWLJZCAA-AWEZNQCLSA-N 317.353 -0.333 30 20 DBED N#Cc1ccc(N2CCC[C@](CO)(NC(=O)CC(N)=O)C2)nc1 1111346901 ZZIWAWYGXNMQPR-HNNXBMFYSA-N 317.349 -0.724 30 20 DBED N#Cc1nccnc1NCCN(CCO)C(=O)[C@@]1(F)CCOC1 1111546281 CPFWZKQILPJFCT-CQSZACIVSA-N 323.328 -0.290 30 20 DBED C[C@H]1CN(C(=O)CNC(N)=O)C[C@H]1Nc1ncccc1C#N 1112306548 HYKQCKKUYQHCAS-GXSJLCMTSA-N 302.338 -0.120 30 20 DBED C=CCOCC(=O)N1CCN(CC(=O)NC(=O)NCC)CC1 1112708771 WZZAFYOVNNCBSG-UHFFFAOYSA-N 312.370 -0.821 30 20 DBED C[C@H](CN1CCN(C(=O)[C@H](C)C#N)CC1)CS(C)(=O)=O 1112710973 MVZKBZYPCGYBMF-VXGBXAGGSA-N 301.412 -0.029 30 20 DBED Cc1cc(=N[C@@H](C)[C@@H](C)NC(=O)CNC(N)=O)c(C#N)c[nH]1 1112893912 CQMPFALHFLLRDZ-VHSXEESVSA-N 304.354 -0.343 30 20 DBED CCC(=O)NCC(=O)N[C@H](C)[C@H](C)N=c1cc[nH]c(C#N)n1 1112931664 YIDGUTJKKFMQLC-VHSXEESVSA-N 304.354 -0.399 30 20 DBED C[C@@H](NC(=O)CCNC(N)=O)[C@@H](C)Nc1nccnc1C#N 1113038991 OCLXLTAHZAFEHI-RKDXNWHRSA-N 305.342 -0.288 30 20 DBED Cc1cc(C#N)nc(N(C)[C@@H](C)CNC(=O)[C@H]2COC(=O)N2)n1 1113591056 OSGLCWYSKNASNO-GXSJLCMTSA-N 318.337 -0.294 30 20 DBED C=CCOCCN1CCN(C(=O)CN2C(=O)CN(C)C2=O)CC1 1113613901 PWDDIEXLDRYCQP-UHFFFAOYSA-N 324.381 -0.773 30 20 DBED CNC(=O)NCC(=O)NC[C@H](C)N(C)c1ccnc(C#N)n1 1113938927 QEXRFUBJLDXZPO-VIFPVBQESA-N 305.342 -0.782 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)CNC(=O)OC)[C@H]2C1 1113948010 KUKLOHNWKAZKIU-DCQANWLSSA-N 324.381 -0.921 30 20 DBED CC(C)CO[C@H](C)C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1113965196 KLIYDXUHGXPGSV-CXTNEJHOSA-N 322.409 -0.266 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)c3conc3C)[C@@H]2C1 1114765775 LFUYPKCBACABMQ-QJPTWQEYSA-N 316.361 -0.219 30 20 DBED C=CCN1C[C@@H]2C(NC(=O)CCn3cc[nH]c(=O)c3=O)[C@H]2C1 1114986574 IIEPHPUTTSJESH-QWRGUYRKSA-N 304.350 -0.841 30 20 DBED N#C[C@]1(F)CCN(C(=O)C(=O)NCc2ccc(C(N)=O)o2)C1 1117568137 OGUUTAKHXHGESW-CYBMUJFWSA-N 308.269 -0.541 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCOCC2)CCN1C1CC1 1119136164 BCAISQCLFNRSDZ-GXTWGEPZSA-N 320.393 -0.130 30 20 DBED CC[C@H](OC)C(=O)NC[C@@H](CO)Nc1nc(C)cc(C#N)n1 1121177563 MPNMUWGUIAWWTA-RYUDHWBXSA-N 307.354 -0.029 30 20 DBED CN1CCC[C@H]1C(=O)NC[C@@H](CO)Nc1nccnc1C#N 1121239377 AWLZMTNHMBSQNZ-JQWIXIFHSA-N 304.354 -0.669 30 20 DBED N#Cc1nc(=N[C@@H](CO)CNC(=O)CC2CCOCC2)cc[nH]1 1121257862 MWYLEEZVZIBWCZ-GFCCVEGCSA-N 319.365 -0.524 30 20 DBED C=CCn1c([C@@H]2CNC(=O)C2)nnc1N1CCN(C)C(=O)[C@@H]1C 1121283434 QCUWVGHMMKDEKL-QWRGUYRKSA-N 318.381 -0.266 30 20 DBED Cn1cnc(C(=O)NC[C@@H](CO)Nc2nccnc2C#N)c1 1121302701 GRGWMSUYPARAEL-VIFPVBQESA-N 301.310 -0.715 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H](CO)Nc1cc(C)nc(CO)n1 1122037112 UDNKGIYUMFYVEK-NEPJUHHUSA-N 322.365 -0.795 30 20 DBED C[C@@H]1[C@H](N=c2cc[nH]cc2C#N)CCN1C(=O)CNC(N)=O 1122929708 GUUQDXCCZNTODY-MWLCHTKSSA-N 302.338 -0.555 30 20 DBED C#CCNC(=O)CC(=O)NCCN[C@H](C)C(=O)NC1CCCC1 1125998090 JRCWEYALSKRYMN-GFCCVEGCSA-N 322.409 -0.721 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)CCc1ccncn1 1128432371 PYGWRYDGFIQTDE-LBPRGKRZSA-N 305.382 -0.194 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(CCCO)C[C@@H]1n1ccnn1 1128929073 ALTYXSHEFBMFQZ-VNHYZAJKSA-N 323.397 -0.671 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)C(C)(C)NC(C)=O)C[C@@]3(C1)O2 1131277153 WADVMVHAGCRZTC-CKEIUWERSA-N 319.405 -0.164 30 20 DBED C=CCNC(=O)[C@H](C)N1CCNC(=O)CCN(C(C)=O)CC1 1131321428 RZXNBMSPRICQMD-LBPRGKRZSA-N 310.398 -0.653 30 20 DBED C=CCn1cc(C(=O)NCCNCCCO[C@H]2CCOC2)nn1 1134973573 XVEPCXQAXXXWPW-ZDUSSCGKSA-N 323.397 -0.021 30 20 DBED C#CCN1CCC(C(=O)NCCN[C@@H](C)C(=O)NCC=C)CC1 1152330449 NJNPMZGCOPBIAN-AWEZNQCLSA-N 320.437 -0.272 30 20 DBED C=CCO[C@@H](C)C(=O)NCCNCC(=O)NCCCOC 1153135049 MDMMRLKLNIYRHO-LBPRGKRZSA-N 301.387 -0.564 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)CN1CC[C@H](C)C1 1155254806 FMAUVLSFBRISPB-LSDHHAIUSA-N 322.453 -0.096 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1coc(OCC)n1 1161820719 BYSCLGIJLXZNNW-UHFFFAOYSA-N 308.338 -0.468 30 20 DBED C=CCN(CC=C)C(=O)CNCCCNC(=O)[C@H]1CCNC1=O 1163934380 DFOMOPSHCKMNMY-CYBMUJFWSA-N 322.409 -0.581 30 20 DBED C=CCOCCNCCCNC(=O)[C@H]1CCc2nnnn2CC1 1167070003 AYKGECQPTHRGAI-ZDUSSCGKSA-N 322.413 -0.076 30 20 DBED COCC#CCNCCCNC(=O)C(C)(C)NS(C)(=O)=O 1167813327 ZWXYKVIISNBWNT-UHFFFAOYSA-N 319.427 -0.940 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)CCCCNC(N)=O)C[C@@H]21 1177042546 QGYFKTYTUOIDMI-KBPBESRZSA-N 322.409 -0.240 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](N[C@@H](C)C(=O)N(C)C)[C@@H]1C 1178508754 RZXRKIZDBFSFEV-AVGNSLFASA-N 322.409 -0.818 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)CSCC#N)C1 1181124580 TVYHIWHLMCCHMQ-VXGBXAGGSA-N 308.407 -0.428 30 20 DBED C=CCOCCCC(=O)N1CC[C@@H](N[C@H]2CCC(=O)NC2=O)C1 1181898601 XQVJIZKDLRLDDE-OLZOCXBDSA-N 323.393 -0.035 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)C(C)(C)C(N)=O)C1 1183437225 VDQMKJQBPQVMSN-WDEREUQCSA-N 310.398 -0.621 30 20 DBED N#CCNC(=O)CN[C@@H]1CCN(C(=O)CCc2cccnc2)C1 1184000654 RQBHJXAOGGUPOD-CQSZACIVSA-N 315.377 -0.156 30 20 DBED C[C@H]1CN(C(=O)C#CC2CC2)CC[C@H]1CNCC(=O)NC(N)=O 1184369514 GANWFKQWZXHTAZ-AAEUAGOBSA-N 320.393 -0.331 30 20 DBED C#CCNC[C@H]1CCN(C(=O)CCn2ncn(C)c2=O)C[C@H]1C 1184873180 QXUFNLOMVOVYIG-ZIAGYGMSSA-N 319.409 -0.321 30 20 DBED C[C@@H]1CN(C(=O)CS(=O)(=O)N(C)C)CC[C@@H]1CNCC#N 1185603560 FEQQRBUFMWCQHD-VXGBXAGGSA-N 316.427 -0.524 30 20 DBED C=CCNC(=O)CN1C[C@@H]2CCN(C(=O)Cc3cc[nH]n3)[C@@H]2C1 1187417915 DOOXOZHCLOZQQL-GXTWGEPZSA-N 317.393 -0.213 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)CC(=O)NCC)C1 1189779990 XWEFTCAOGVKLCC-LBPRGKRZSA-N 310.398 -0.653 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H](C)C(F)(F)F)C1 1195388066 ARZPYZNQWIVOBP-IVZWLZJFSA-N 321.299 -0.905 30 20 DBED C#CCCN[C@H]1C[C@H](NC(=O)CN2CCNC(=O)C2)C12CCC2 1203256897 KCJOPLJJKZCLJK-KBPBESRZSA-N 318.421 -0.542 30 20 DBED C=CCNCC1CCN(C(=O)CN(C)S(C)(=O)=O)CC1 1205418557 QEYGXMGEQWJWAY-UHFFFAOYSA-N 303.428 -0.108 30 20 DBED CC#CCNCC1CCN(C(=O)CN2CCOCC2=O)CC1 1205472398 AXKINSTXZWAAAT-UHFFFAOYSA-N 307.394 -0.303 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2ncoc2C)[C@H](C)C1 1206327339 KYHYPHIDDGOJJJ-ZYHUDNBSSA-N 304.350 -0.217 30 20 DBED COc1c(O)nc(O)nc1C(=O)N1CCC(CNCC#N)CC1 1206869991 FQILNKLJJZFURM-UHFFFAOYSA-N 321.337 -0.138 30 20 DBED C#CCOCCC(=O)N1CCC[C@H](NCc2cnnn2C)C1 1208032386 QJWFZFRHZPRPSR-ZDUSSCGKSA-N 305.382 -0.064 30 20 DBED C=CCOCCN1C[C@@H](NC(=O)[C@H]2COC(=O)N2)[C@H](OC)C1 1212196499 UPVVNENKSRQRPE-IJLUTSLNSA-N 313.354 -0.887 30 20 DBED C[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1NCC(=O)NC(N)=O 1214589228 IKFYFLCYIYBJPL-GHMZBOCLSA-N 308.382 -0.333 30 20 DBED N#CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)C=C1CCC1 1217626061 WTKGNVFFXYKHRV-UONOGXRCSA-N 318.377 -0.352 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CCCn1ccnn1 1218101336 MZKSUMQWAWXLRK-LSDHHAIUSA-N 317.393 -0.007 30 20 DBED CC(C)(C)CC(=O)NCC(=O)N1CCO[C@@H]2CN(CC#N)C[C@@H]21 1219042695 MACLDHXYVNUETL-QWHCGFSZSA-N 322.409 -0.026 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2CC2(F)F)C1 1219568299 XGKUBDRXZCDPOU-AEJSXWLSSA-N 303.309 -0.895 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(CCOCC(F)F)C[C@@H]1O 1219604908 CUJZRUOXOTVDOK-TUAOUCFPSA-N 320.336 -0.532 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)[C@@H](Cn2cccn2)N(C)C)C1 1219800325 LPWVEGIUQKBCAH-KFWWJZLASA-N 321.425 -0.449 30 20 DBED CC(=O)N[C@H](CC1CCC1)C(=O)N[C@@H]1CN(CC#N)C[C@@H]1O 1220214941 RMCVQDBOODPRPG-MCIONIFRSA-N 308.382 -0.634 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)C2(C(=O)N(C)C(C)C)CC2)C1 1220647005 VCWKOGCLTUVGJI-KGLIPLIRSA-N 321.421 -0.182 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)CO[C@H](C)c2nccn2C)C1 1220871491 IMWNPTUIJIJTJA-UPJWGTAASA-N 306.366 -0.708 30 20 DBED C#CCCN1CC[C@@H]2CN(C(=O)CS(=O)(=O)N(C)C)[C@@H]2C1 1221988963 OHMKMVHRJANBLX-CHWSQXEVSA-N 313.423 -0.566 30 20 DBED C#CCN1CCC(CNC(=O)CC[C@H]2NC(=O)NC2=O)CC1 1225372661 VTHBCSBSCIVMSV-GFCCVEGCSA-N 306.366 -0.564 30 20 DBED CCNC(=O)CCC(=O)N(C)C[C@@H]1CCN1CC(=O)NCC#N 1231207823 CCJAZDDUVZPAFC-LBPRGKRZSA-N 323.397 -0.925 30 20 DBED C#CCNC(=O)CC(=O)N(C)C[C@H]1CCN1Cc1cnn(C)c1 1233811182 VMBNRDTVACPXSL-CQSZACIVSA-N 317.393 -0.408 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)[C@H](C)OCC#C 1234227253 WNHGUIICICORCV-UONOGXRCSA-N 305.378 -0.693 30 20 DBED CCS(=O)(=O)CCN(C)C(=O)C(=O)N[C@@H]1CC[C@H](C#N)C1 1261449432 BHMSNBHTOADCAV-WDEREUQCSA-N 315.395 -0.312 30 20 DBED C=CCn1c(C)nnc1S(=O)(=O)CC(=O)N1CCOCC1 1322134245 RSUDXWRGTJDIFY-UHFFFAOYSA-N 314.367 -0.595 30 20 DBED CN(C[C@@H]1CCC[C@H]1O)C(=O)C(=O)Nc1cnn(CC#N)c1 1324410413 QAGKETMXOCCJJE-CMPLNLGQSA-N 305.338 -0.035 30 20 DBED CC1(C)CN(C(=O)C(=O)N2CC[C@@](F)(C#N)C2)C[C@@H](CO)O1 1325808450 GHDBWMWKUZMQBK-IINYFYTJSA-N 313.329 -0.551 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)N2CC[C@@H]3OCC[C@@H]3C2)C1 1327042961 NGCVLNOPCAJMHU-XUJVJEKNSA-N 307.350 -0.499 30 20 DBED C=C(CNC(=O)Cc1cc[nH]n1)CNC(=O)Cc1cc[nH]n1 1328443712 FSNLOJXRTXNXOK-UHFFFAOYSA-N 302.338 -0.293 30 20 DBED N#CCCNC(=O)COC(=O)c1cn(C2CCOCC2)nn1 1330012862 KFEFKEZBYUENNO-UHFFFAOYSA-N 307.310 -0.184 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)N2CCN(CC3CC3)CC2)C1 1332357121 XTCHWYONHFRWMS-INIZCTEOSA-N 320.393 -0.582 30 20 DBED C=CCC1(O)CCN(C(=O)C(=O)N(C)CCOCCO)CC1 1334996437 MIQNEMHCMGIQQM-UHFFFAOYSA-N 314.382 -0.617 30 20 DBED C=CCN(C(=O)C(=O)N[C@@H]1CCS(=O)(=O)C1)[C@H](C)COC 1336167166 HIGGPHKXQAYCHU-GHMZBOCLSA-N 318.395 -0.661 30 20 DBED CC[C@H](C#N)NC(=O)CCc1nc2c(O)nc(=O)n(C)c2[nH]1 1338094866 HFUDBYQBSFNLCD-SSDOTTSWSA-N 304.310 -0.287 30 20 DBED C#CCN1CCC(C(=O)NCCOCCS(C)(=O)=O)CC1 1339614733 UASZPUNTPHWBCH-UHFFFAOYSA-N 316.423 -0.491 30 20 DBED C=C(C)Cn1c(CCO)nnc1N1CCO[C@H](C(=O)NC)C1 1341877701 DMCJAPIWZNXXBA-NSHDSACASA-N 309.370 -0.660 30 20 DBED C[C@H]1CN(c2[nH]c(=O)n(C)c(=O)c2C#N)C[C@]2(CCCOC2)O1 1363731674 MEWDXEMYGIVFII-BONVTDFDSA-N 320.349 -0.280 30 20 DBED CCCn1cc(CNC(=O)Cn2cc(C#N)c(O)nc2=O)nn1 1363829707 OYXBCRXVZINELK-UHFFFAOYSA-N 317.309 -0.862 30 20 DBED N#Cc1ccc(CNC2(CNC(=O)Cn3cnnn3)CC2)cc1 1367981062 YUZKECCRFNSURF-UHFFFAOYSA-N 311.349 -0.017 30 20 DBED CC[C@@H](CNC(=O)Cn1cncn1)NC(=O)c1ccc(C#N)[nH]1 1375253849 ZRSRISVWHKHBPL-JTQLQIEISA-N 315.337 -0.197 30 20 DBED CCC(=O)NCC(=O)NC[C@@H](C)CNC(=O)c1cc(C#N)c[nH]1 1375649113 BPZPTLPQDFCUDB-SNVBAGLBSA-N 319.365 -0.105 30 20 DBED Cc1noc(CCC(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)n1 1384820274 MMJBMQSBADMMBI-IEBDPFPHSA-N 321.337 -0.842 30 20 DBED CNC(=O)NCCC(=O)N1CCC(NC(=O)[C@@H](C)C#N)CC1 1385358871 UWVNOODMPCTNRJ-JTQLQIEISA-N 309.370 -0.428 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1ccnc(C2CC2)n1 1392154017 BEORPTMVYJJCPP-KOLCDFICSA-N 317.349 -0.279 30 20 DBED CCN(C)C(=O)CN(CCO)C1CCN(C(=O)[C@H](C)C#N)CC1 1397810567 HOLNMXOZTBXETD-CYBMUJFWSA-N 324.425 -0.090 30 20 DBED N#CC1(CS(=O)(=O)N2CC[C@H](CS(N)(=O)=O)C2)CC1 1413452251 HOKMPYPSHRTJDI-VIFPVBQESA-N 307.397 -0.770 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)c2cnc3[nH]nnc3c2)C1 1414967836 LQTLEBZPYXOWEB-HGNGGELXSA-N 313.321 -0.110 30 20 DBED C[C@H](CCNC(=O)c1cc(C#N)c[nH]1)NC(=O)c1cnnn1C 1415375939 BAMWLQWPBOEGSO-SECBINFHSA-N 315.337 -0.047 30 20 DBED C[C@H](CN(C)C(=O)C(C)(C)S(C)(=O)=O)NC(=O)[C@H](C)C#N 1427724154 ZNYNLHULIVOMSI-NXEZZACHSA-N 317.411 -0.068 30 20 DBED CC(=O)N1CC[C@@](C)(C(=O)N(C)CCNC(=O)[C@@H](C)C#N)C1 1429454501 OQVDPXAJALHENG-XHDPSFHLSA-N 308.382 -0.021 30 20 DBED CCN(CCC#N)C(=O)CN[C@@H](C)CNC(=O)c1ccn(C)n1 1437257623 CXSAQKIDPNCSIT-LBPRGKRZSA-N 320.397 -0.110 30 20 DBED CCNC(=O)CNC[C@@H](O)CN(C)C(=O)c1cc(C#N)c[nH]1 1441959678 NVAJNLFDZCIBMZ-LLVKDONJSA-N 307.354 -0.955 30 20 DBED C=C(Cl)CN[C@@H](C)[C@H]1CN(C(=O)Cn2cnnn2)CCO1 1485631243 RDHRDSJDFVXFEW-WDEREUQCSA-N 314.777 -0.369 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)[C@H]2CCCC(=O)N2C)CC1 1535743167 FTERYFOVXOUOKC-GHMZBOCLSA-N 306.366 -0.078 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@]1(C)CCN(C(=O)CN2CCOCC2)C1 1536993302 XKEYCIMWSRULFO-XJKSGUPXSA-N 322.409 -0.167 30 20 DBED N#Cc1cc(CNC(=O)c2nc3ncc(CCO)cn3n2)ccn1 1568546631 PBGAIYYODMPASJ-UHFFFAOYSA-N 323.316 -0.144 30 20 DBED C#CCOCCC(=O)NCC1[C@@H]2CN(C(=O)CNC(=O)O)C[C@@H]12 1573310903 DPMJBIGOWUYMFN-RYUDHWBXSA-N 323.349 -0.886 30 20 DBED C#CC[C@]1(C(=O)N[C@H]2CS(=O)(=O)C[C@@H]2OC)CCCN1 1574516041 CVXFRFJQZUTPEB-GMXVVIOVSA-N 300.380 -0.940 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@]1(CO)CCCN(Cc2cnn[nH]2)C1 1575072433 IDUORFQFZHKVOG-HUUCEWRRSA-N 323.397 -0.425 30 20 DBED COC(=O)[C@]1(F)CCN(c2cnc(-c3nn[nH]n3)c(C#N)n2)C1 1579438514 IYTIOJJIFPTXFM-LBPRGKRZSA-N 318.272 -0.380 30 20 DBED Cn1nnc2c1CC[C@@H](NC(=O)C1CC3(CNC[C@@H]3C#N)C1)C2 1580017515 SYJMVXQMBFGHHZ-LZUBYRBGSA-N 314.393 -0.072 30 20 DBED C#C[C@H](CO)NS(=O)(=O)c1ccc(CC(=O)O)c(F)c1 1588370777 NBHNZAXQTDFWMS-SECBINFHSA-N 301.295 -0.275 30 20 DBED C=CCn1nnnc1N1CCC(N2C[C@@H](C(=O)O)CC2=O)CC1 1588474214 FXURPAPTXKXBOE-JTQLQIEISA-N 320.353 -0.239 30 20 DBED C#CCN1CCN(C(=O)CN2C3CCC2(C(=O)O)CC3)CC1 1588476829 HEOKQPJBWROAQA-UHFFFAOYSA-N 305.378 -0.155 30 20 DBED C=C[C@H](OC(=O)[C@H](C)n1cnc(-c2nn[nH]n2)n1)C(=O)OCC 1588525870 MFEDEFSFURURRZ-YUMQZZPRSA-N 321.297 -0.320 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@H](O)CNc1ncc(C(=O)O)cn1 1588683605 AIZACSBSNDIINZ-HZMBPMFUSA-N 324.337 -0.609 30 20 DBED C=CCCOCC(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)O)CC1 1588810440 QMCIZVLPQJJBMU-NEPJUHHUSA-N 310.350 -0.029 30 20 DBED Cc1cc(-c2nn[nH]n2)c(=O)n(CC(=O)NC2(C#N)CCC2)c1 1591836370 PVNBYOULTLXHJO-UHFFFAOYSA-N 313.321 -0.101 30 20 DBED N#Cc1ccc(NCCN=c2cc[nH]c(-c3nn[nH]n3)n2)nc1 1592696973 IVOXVXWVWJKYTO-UHFFFAOYSA-N 308.309 -0.131 30 20 DBED CCN(CCC#N)C(=O)C(=O)Nc1cnn(CC(=O)O)c1C 1596299604 QJKAYQIFSSIBMC-UHFFFAOYSA-N 307.310 -0.023 30 20 DBED CCC(=O)N1CC[C@@H](Nc2cnc(C#N)c(-c3nn[nH]n3)n2)C1 1603969434 SNOXWDDXILCMOO-MRVPVSSYSA-N 313.325 -0.049 30 20 DBED N#CCCn1ccc(NC(=O)C(=O)N2CC3CC2(C(=O)O)C3)n1 1608182841 DOCARIRTCJTSSI-UHFFFAOYSA-N 317.305 -0.189 30 20 DBED N#CCn1cc(NS(=O)(=O)c2cnn(CC(=O)O)c2)cn1 1608190749 YICVJRGHTZJSKX-UHFFFAOYSA-N 310.295 -0.511 30 20 DBED C=CCCO[C@@H](C)C(=O)N[C@H]1CCN(CC(=O)NCC#N)C1 1660966391 ZLXCIFAPXYOZEN-STQMWFEESA-N 308.382 -0.202 30 20 DBED C#CCOCCC(=O)N[C@H]1C[C@@H](N[C@H]2CCC(=O)NC2=O)C1 1752731192 MKWOITBWCUYEKL-TUAOUCFPSA-N 307.350 -0.932 30 20 DBED COCC#CCN[C@@H](C)CNC(=O)CS(=O)(=O)C(C)(C)C 1752913909 MGPTWOWYZQVFSS-LBPRGKRZSA-N 318.439 -0.056 30 20 DBED CN(CCNCC(=O)NCC#N)C(=O)c1cnn(C(F)F)c1 1753245981 MMPUOZLUTVAFSH-UHFFFAOYSA-N 314.296 -0.420 30 20 DBED C#CCNC(=O)[C@H](C)N1[C@H]2CC[C@H]1CN(C(=O)[C@@H](C)C#N)C2 1753304397 CMPMEYVEXATOPS-XUXIUFHCSA-N 302.378 -0.041 30 20 DBED C#CCN(C)CC1CCN(C(=O)CC[C@H]2NC(=O)NC2=O)CC1 1753367471 LBEIMWVCKJUFBC-CYBMUJFWSA-N 320.393 -0.222 30 20 DBED C=CCNC(=O)CNC[C@@H](C)CNC(=O)[C@]1(C)CCNC1=O 1753630153 KYXCFZGZCLTOBA-IAQYHMDHSA-N 310.398 -0.843 30 20 DBED COCC#CCN1CCO[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 1753649979 KLVLIXGXBFQFSR-OAHLLOKOSA-N 316.361 -0.033 30 20 DBED C=CCOCC(=O)N(C)[C@@H](C)CNCc1nnc2n1CCOC2 1753682939 WKSOTROPVLPLIH-LBPRGKRZSA-N 323.397 -0.053 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)CCNS(C)(=O)=O)CC[C@H]21 1753871266 CTBMZDWFEHROQL-CHWSQXEVSA-N 313.423 -0.518 30 20 DBED C=CCCNC[C@H]1CCC[C@H]1NC(=O)CN1C(=O)CNC1=O 1753897488 KLRGPKUTOYVJML-VXGBXAGGSA-N 308.382 -0.011 30 20 DBED C=CCN1CC[C@H](NC[C@H](O)CNC(=O)c2cc(C)no2)C1=O 1753905395 UTSDNVONEMAWIN-RYUDHWBXSA-N 322.365 -0.550 30 20 DBED Cc1ncc(C(=O)N[C@@H](C)CN(C)CC(=O)NCC#N)c(C)n1 1754334982 DTCIOJPTACZRID-JTQLQIEISA-N 318.381 -0.217 30 20 DBED CNC(=O)C1(C(=O)N2CCC(N(CC#N)CCOC)CC2)CC1 1754551003 MOPZGSYKQYQHSD-UHFFFAOYSA-N 322.409 -0.024 30 20 DBED C=C(C)CN1CCC(C)(NC(=O)C[C@H](NC(C)=O)C(N)=O)CC1 1754630625 JTDWOOHZHWHNKS-ZDUSSCGKSA-N 324.425 -0.087 30 20 DBED COCC#CCN1CC(O)(CNC(=O)[C@H](C)OCC2CC2)C1 1754765239 GINZXZKQGMBZQC-ZDUSSCGKSA-N 310.394 -0.386 30 20 DBED CC(C)(C)N1C[C@@H](C(=O)NCC2(O)CN(CC#N)C2)CC1=O 1754768569 RZQHTSYHVMJBEH-NSHDSACASA-N 308.382 -0.680 30 20 DBED C=C(C)CNC1CCN(CCNC(=O)Cn2ncnn2)CC1 1754848919 XWZKKCQCDLQORP-UHFFFAOYSA-N 307.402 -0.581 30 20 DBED C#CCOCCC(=O)NCC1(NCc2ncnn2C)CCC1 1754980783 QXCOWJRDOJSNGL-UHFFFAOYSA-N 305.382 -0.017 30 20 DBED C#CCNC[C@H]1CN(C(=O)C2CCN(CC#C)CC2)CCO1 1755018144 QHGFEXLBRKYGRV-INIZCTEOSA-N 303.406 -0.218 30 20 DBED COCC#CCN1CC2(C[C@H](NC(=O)[C@H]3COCCO3)CO2)C1 1755059695 UIKXMRBCOGAOJE-UONOGXRCSA-N 324.377 -0.989 30 20 DBED CCC1(C(=O)N2CCC(O)(CNCC(=O)NCC#N)CC2)CC1 1755152221 BWDQXLRNFXHKKE-UHFFFAOYSA-N 322.409 -0.241 30 20 DBED C#CCNC(=O)CNCC1CC(NC(=O)C2CCOCC2)C1 1755204919 NYZHETDTGAWUMS-UHFFFAOYSA-N 307.394 -0.353 30 20 DBED C#CCNC(=O)CN[C@@H](C)[C@H](C)NC(=O)c1cnnn1CC 1755234110 LRAJADITEAYAFE-QWRGUYRKSA-N 306.370 -0.856 30 20 DBED COCC#CCNC[C@H]1C[C@H](NC(=O)c2cn(C)c(O)n2)C1 1755477765 DIIRZICDIBDTIB-HAQNSBGRSA-N 306.366 -0.127 30 20 DBED C=CC(C)(C)C(=O)NC[C@H](CO)NC(=O)c1ccnc(OC)n1 1756539389 CFYDGYJPQQLZCS-SNVBAGLBSA-N 322.365 -0.096 30 20 DBED Cc1ncc(CC(=O)NC[C@H](O)CN(C)C(=O)C#CC2CC2)o1 1756663323 UCVOOXZHCQVEAX-ZDUSSCGKSA-N 319.361 -0.126 30 20 DBED C=C[C@@](C)(O)CC(=O)N1C[C@H](O)[C@H](NC(=O)c2ccccn2)C1 1757150358 MBKZBZLNXNIBJR-DVOMOZLQSA-N 319.361 -0.290 30 20 DBED CCn1cnc(C(=O)N2C[C@H](O)[C@H](NC(=O)C#CC3CC3)C2)c1 1757171909 MVIBPGMRHRFWIV-OCCSQVGLSA-N 316.361 -0.382 30 20 DBED N#CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cnc(O)[nH]3)C2)C1 1779641571 HTMYBMZNVXAVCA-AWEZNQCLSA-N 319.321 -0.528 30 20 DBED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)NC=O)CCO2 1785427602 GCUFQGVPOIQIMP-CJNGLKHVSA-N 321.377 -0.636 30 20 DBED C=CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1C[C@H](O)CN1)C2 1802314888 BGQXSRPAVUUAMO-NDKCEZKHSA-N 307.394 -0.077 30 20 DBED NCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C#CC(=O)O)CC1 1826813354 JDJCEMFBKSJEGK-CYBMUJFWSA-N 321.377 -0.347 30 20 DBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1839806274 IADYKIVOIKHRJT-KRWDZBQOSA-N 316.357 -0.511 30 20 DBED N#CCCC(=O)N1CCCC12CN(C(=O)Cn1nccn1)C2 1842813843 JBNSKJFLKUBNTG-UHFFFAOYSA-N 302.338 -0.215 30 20 DBED C#CCNC(=O)Cn1c(C(F)(F)F)ccc(C(N)=O)c1=O 14153012 TWDQGOUJDPIZMN-UHFFFAOYSA-N 301.224 -0.285 30 20 DBED C#CCN(C)CC(=O)NCCCN(C(C)C)S(C)(=O)=O 192225790 LDXRIYLHJUHTKV-UHFFFAOYSA-N 303.428 -0.272 30 20 DBED C=CCN1CCC(NC(=O)NCCNS(C)(=O)=O)CC1 264358848 DGAWGSFUNVZSQS-UHFFFAOYSA-N 304.416 -0.515 30 20 DBED COC[C@](C)(C#N)NC(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1 269506679 CCMJMBSWCNETTF-YPMHNXCESA-N 324.362 -0.239 30 20 DBED COC(=O)C(C)(C)CS(=O)(=O)NCCn1cnc(C#N)n1 289017060 BGTWAZHSNXKNRQ-UHFFFAOYSA-N 315.355 -0.732 30 20 DBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H]1CC(C(N)=O)=NO1 298194098 FDPROMKKLKCQJS-NHCYSSNCSA-N 310.354 -0.103 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC2CCN(CC)CC2)C1=O 298203034 JKZIUQFMCCDYHG-UHFFFAOYSA-N 322.365 -0.436 30 20 DBED CCOC(=O)N1CCC(N/C(N)=N/CC(=O)NC2CC2)CC1 303768319 AHECCWSKMCWKDG-UHFFFAOYSA-N 311.386 -0.210 30 20 DBED O=S1(=O)CCC[C@H](N/C(O)=N/C[C@@]2(O)CCSC2)C1 329356527 FURDJCVANFZSCO-ONGXEEELSA-N 308.425 -0.065 30 20 DBED COc1ccc(N=C(O)N2CC(=O)N(C)C2)cc1-n1cnnn1 329398381 AIRMWAIDPGADFM-UHFFFAOYSA-N 317.309 -0.052 30 20 DBED C/N=C(/O)NC(=O)[C@@H](C)N1CCN(Cc2nc(C)no2)CC1 330400293 JGVHJXFBUBIGLM-SECBINFHSA-N 310.358 -0.456 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N(CC)[C@@H]1CCNC1=O 337186458 DEHPEQDZFNTKGR-GHMZBOCLSA-N 302.400 -0.077 30 20 DBED C=CCN1CC[C@H](N(C)CCCS(=O)(=O)N(C)C)C1=O 337204393 HSWYYPGVSDZUSS-LBPRGKRZSA-N 303.428 -0.013 30 20 DBED C=CCNc1ncc(C(=O)N2CC[C@H](S(N)(=O)=O)C2)s1 339720657 XXKPMZGIQSWXOR-QMMMGPOBSA-N 316.408 0.244 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N[C@H](COC)[C@@H]1CCCO1 346925334 BAIRXVUMJUQNFG-OLZOCXBDSA-N 314.382 -0.042 30 20 DBED C=CCN(CCOC)C(=O)C(=O)NC[C@H]1CN(C)CCN1C 347975664 XTVOYLDXOVLAQQ-ZDUSSCGKSA-N 312.414 -0.991 30 20 DBED N#CCNC(=O)CNC(=O)Nc1ccc(N2CCOCC2)cn1 351564142 SFUKMSVSXYCUSA-UHFFFAOYSA-N 318.337 -0.321 30 20 DBED CCN(CC#N)C(=O)c1cc(S(=O)(=O)NCCOC)c[nH]1 360086917 BQQNIIWEOHKABD-UHFFFAOYSA-N 314.367 -0.075 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@H](C)C(=O)NC(C)C 416625610 RZJXDQPBKLWSPL-LLVKDONJSA-N 320.415 -0.404 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N[C@H](CN)C2CCCCC2)CCO1 419969000 RBHQGZCIAHHOSZ-CHWSQXEVSA-N 308.382 -0.239 30 20 DBED C=CC1CCN(C(=O)C(=O)N2CC[C@H](N3CCNCC3)C2)CC1 423313222 WLNROSMUTNKMRK-HNNXBMFYSA-N 320.437 -0.083 30 20 DBED C=CCn1cc(CNS(=O)(=O)CCOCCOC)nn1 425181700 XKBDHWUXBHEAMJ-UHFFFAOYSA-N 304.372 -0.454 30 20 DBED C#CCNC(=O)CCN1CCN(CC(=O)N2CCCCC2)CC1 491768711 IWXRLUKSTXHBEH-UHFFFAOYSA-N 320.437 -0.244 30 20 DBED C=CC[C@@H](CO)CNC(=O)c1cc(S(N)(=O)=O)cnc1C 563391599 XKSNGZKTNHGZLU-SNVBAGLBSA-N 313.379 -0.048 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N(CCO)[C@H](C)CC(=O)O 565953500 FEPRZIOSFQQNFN-NXEZZACHSA-N 307.372 -0.377 30 20 DBED N#CCNC(=O)CNC(=O)N[C@@H]1CC[C@](O)(C(F)(F)F)C1 589931165 WLTQYQRBRJNOHV-GMSGAONNSA-N 308.260 -0.229 30 20 DBED Cn1c(=O)nc(O)c2cc(S(=O)(=O)N3CC(C#N)C3)cnc21 590092569 RPAYUAMAMJNYIZ-UHFFFAOYSA-N 321.318 -0.822 30 20 DBED Cc1cccc(=O)n1C[C@@](C)(O)C(=O)N1CC[C@@](O)(CC#N)C1 592850708 YJOACVHASSDSSV-CVEARBPZSA-N 319.361 -0.215 30 20 DBED CC[C@H](C#N)N(C)C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 594098697 YBEOSUIOPRIJGH-SECBINFHSA-N 318.337 -0.806 30 20 DBED Cc1nn(CC(=O)NC[C@@H]2CCCN(CC#N)C2)c(=O)n1C 594421769 RYGUNYYADCRMPQ-LBPRGKRZSA-N 306.370 -0.758 30 20 DBED C[C@@H]1CN(C(=O)C(=O)Nc2ccn(CCC#N)n2)C[C@]1(C)CO 595210769 HQIHMUUESOKBFJ-IAQYHMDHSA-N 319.365 0.212 30 20 DBED N#CCc1cccc(NC(=O)C(=O)NCCN2CC[C@H](O)C2)c1 600101035 YYACCRTWFCMIDI-AWEZNQCLSA-N 316.361 -0.126 30 20 DBED CC1(C)CN(C(=O)C(=O)N2CCN(CCC#N)CC2)CCO1 601434485 POCUYLKDZVDFSE-UHFFFAOYSA-N 308.382 -0.318 30 20 DBED N#CCCN1CCN(C(=O)C(=O)NCCc2ccco2)CC1 602224422 IMYICEQODJEAAO-UHFFFAOYSA-N 304.350 -0.004 30 20 DBED C#CCCCS(=O)(=O)N1CCCC[C@@H]1CS(N)(=O)=O 710862856 UCOUZUGMKZFBIT-LLVKDONJSA-N 308.425 -0.127 30 20 DBED C#CCNC(=O)CN(C)CC(=O)N1CCC(C(=O)OCC)CC1 726597977 LHSTVIOFUSWFAV-UHFFFAOYSA-N 323.393 -0.531 30 20 DBED C=CCn1nnn(CN(CC(=O)OC)CC(=O)OC)c1=S 728560211 HDANBMYJXLIIIM-UHFFFAOYSA-N 315.355 -0.399 30 20 DBED Cc1c(C(=O)OCC(=O)N(CCC#N)CCC#N)nnn1C 745167908 SXVLOESODXCGAX-UHFFFAOYSA-N 304.310 -0.064 30 20 DBED C[C@H]1C[C@@H]1C=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 771897682 QJEFFEJNIGMKEI-JGVFFNPUSA-N 300.340 -0.996 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N(C[C@H](C)O)[C@H](C)CO 785890554 YXAAAHXRHGQSGH-MNOVXSKESA-N 308.400 -0.640 30 20 DBED C=C[C@@H](O)C(=O)OCC(=O)NCc1ccc(OCC(N)=O)cc1 814548503 UNTIJAGCNBHEOS-GFCCVEGCSA-N 322.317 -0.743 30 20 DBED CC(C)[C@@H](C#N)N1CCN(C(=O)Cn2cc(C(=O)O)nn2)CC1 826669257 DSYLHXYCCCALQK-GFCCVEGCSA-N 320.353 -0.331 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N1CCC[C@H](CC(N)=O)C1 850712494 LSWMCXFRALLVAT-CYBMUJFWSA-N 323.393 -0.401 30 20 DBED CC(C)N(CCC#N)S(=O)(=O)CCS(=O)(=O)N(C)C 881863310 LEKKIKQONDZAMJ-UHFFFAOYSA-N 311.429 -0.168 30 20 DBED C#CCN1CCC[C@H](NS(=O)(=O)C[C@@H](C)C(=O)OC)C1 885511958 PVRUFCOMYPSLDS-NEPJUHHUSA-N 302.396 -0.188 30 20 DBED C#CC1(O)CN(C(=O)C2=NN(c3ccccc3)C(=O)[C@H](C)N2)C1 890520217 GFIOZBQXZCXSSD-NSHDSACASA-N 312.329 -0.469 30 20 DBED C#CC1(O)CN(C(=O)NC[C@H](N2CCOCC2)C(F)(F)F)C1 894810317 DMPNBEDDQUYZPC-JTQLQIEISA-N 321.299 -0.361 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](NC(=O)c2cc3n(n2)CCO3)C1 938131477 WHNQJVFYXGBWJS-ZJUUUORDSA-N 303.322 -0.234 30 20 DBED CC(=O)N1CC(C(=O)N(C)[C@@H]2CCN(C(=O)[C@H](C)C#N)C2)C1 939394980 BHMRZCSLDGAEBZ-ZWNOBZJWSA-N 306.366 -0.316 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2cnn[nH]2)C1 941245994 YJMMSTUCLLLBID-YPMHNXCESA-N 316.365 -0.767 30 20 DBED C#CCN1CC[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C[C@@H]1C 947369233 IOMLSSHKDMTMER-QWHCGFSZSA-N 318.377 -0.851 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(NC(=O)c2ccc(C(N)=O)[nH]2)CC1 948099808 ZBOIQZZGMMADRT-VIFPVBQESA-N 317.349 -0.006 30 20 DBED O=C(Cn1nccn1)N[C@H]1CCCN(C(=O)C#CC2CC2)C1 950761814 OAXLCHGYFMXPNZ-ZDUSSCGKSA-N 301.350 -0.201 30 20 DBED C[C@@H]1OCCO[C@@H]1C(=O)N(C)C1CN(C(=O)C#CC2CC2)C1 954634113 ZZSXIFBICRJONC-NHYWBVRUSA-N 306.362 -0.127 30 20 DBED C[C@H]1C[C@H](NC(=O)Cn2cnnn2)CCN1C(=O)C#CC1CC1 955674275 KZUDKCDGWMYFQD-WCQYABFASA-N 316.365 -0.418 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@@](C)(NC(=O)[C@H]2CNC(=O)N2)C1 957454819 HSMFURGOVYZEES-MEBBXXQBSA-N 308.382 -0.013 30 20 DBED COCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C#N)c[nH]2)C1 958798084 BAJYKUGDRLWJOS-RYUDHWBXSA-N 306.322 -0.824 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cc2ccn(C)n2)C1 958844272 JCOAGTNDLHPULV-WXHSDQCUSA-N 319.365 -0.848 30 20 DBED N#CCN1C[C@H]2C(NC(=O)Cn3nc4ccccn4c3=O)[C@@H]2C1 961410446 JLRFSWRWDWJVLC-GHMZBOCLSA-N 312.333 -0.934 30 20 DBED C=CCN1C[C@H]2C(NC(=O)Cn3ncn4nccc4c3=O)[C@@H]2C1 961909883 DEUQJHCYHGXOTJ-GHMZBOCLSA-N 314.349 -0.877 30 20 DBED C#CCN1C[C@@H]2C(NC(=O)Cn3nc4n(c3=O)CCCC4)[C@H]2C1 962236687 FYGYYGZRSAQENU-RYUDHWBXSA-N 315.377 -0.939 30 20 DBED CC(C)(F)C(=O)N1C[C@H](O)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 962387779 LVRHRFPNQKFEDL-MNOVXSKESA-N 308.313 -0.064 30 20 DBED O=C(C#CC1CC1)N1CCOC2(C1)CN(C(=O)c1cn[nH]c1)C2 965375976 WPZYJROAFJRWDZ-UHFFFAOYSA-N 314.345 -0.124 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@@H](N[C@@H](CC)C(N)=O)C1 968956707 UXDHYBHQNRANKO-RDBSUJKOSA-N 306.410 -0.462 30 20 DBED COc1nc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)co1 969137673 DRGOCCQSLSIPNX-XKSSXDPKSA-N 308.294 -0.856 30 20 DBED C[C@@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)[C@H]1CCCNC1=O)C2 969817066 HJLIMOJGQQVGNK-CYDGBPFRSA-N 318.377 -0.126 30 20 DBED Cc1cn2nc(C(=O)N[C@H](C)C3CN(CC#N)C3)cc2c(=O)[nH]1 970217209 NTRMDUNNNQJDBJ-SNVBAGLBSA-N 314.349 -0.095 30 20 DBED C=CCCN1C[C@H]2CC[C@H]1CN2C(=O)CN1C(=O)CNC1=O 972089089 RAHIKYJCXDXPLA-NWDGAFQWSA-N 306.366 -0.211 30 20 DBED C#CCCN1CCO[C@]2(CCN(C(=O)C[C@@H]3CCNC3=O)C2)C1 972408321 JUJLHFZEXSVDPK-WMLDXEAASA-N 319.405 -0.161 30 20 DBED C[C@]1(C(=O)N2CC[C@@]3(CN(CC#N)CCO3)C2)CCNC1=O 972550092 VQTDIRQDRDWZOK-LSDHHAIUSA-N 306.366 -0.661 30 20 DBED Cc1nonc1C(=O)N[C@H]1[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]21 976773981 RHEDHZCNHYNXMS-YABSGUDNSA-N 300.318 -0.022 30 20 DBED C#CCN1C[C@H]2C(CNC(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)[C@@H]2C1 978708295 SVSWWQLFMRQXGH-XQLPTFJDSA-N 319.405 -0.451 30 20 DBED N#CCN1C[C@@H]2C(CNC(=O)[C@H]3CCc4nnnn4CC3)[C@H]2C1 978743283 QMRJILOUQDSKGG-CYZMBNFOSA-N 315.381 -0.557 30 20 DBED C#CCN1CCCN(C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)CC1 981639129 HKRVZCYUBBCFQW-KGLIPLIRSA-N 307.394 -0.033 30 20 DBED CC#CCN1CCCN(C(=O)c2cc(=O)n3[nH]cnc3n2)CC1 989478355 XMKAOOLGEIHHOJ-UHFFFAOYSA-N 314.349 -0.411 30 20 DBED C=C1CC(C)(C(=O)N2CC(NC(=O)CN3CCOCC3=O)C2)C1 994221782 YIMGBFAMYUQZGN-UHFFFAOYSA-N 321.377 -0.472 30 20 DBED N#CCN[C@@H]1CCCN(C(=O)C2CC3(C2)CS(=O)(=O)C3)C1 999503707 JQRGHMMYWKAWML-GFCCVEGCSA-N 311.407 -0.085 30 20 DBED C[C@H](C#N)C(=O)N1CC(NC(=O)Cn2nnc3c2CCCC3)C1 999949485 XOFVDBGPOHNYEW-SNVBAGLBSA-N 316.365 -0.356 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@@H](C)C#N)C1 1002830420 RPEBTPMEUGTZGP-JSGCOSHPSA-N 302.378 -0.182 30 20 DBED C[C@@H](C#N)C(=O)N1CC(CNC(=O)c2ccc(C(N)=O)o2)C1 1003402748 IHKLFCPWYWUNDH-QMMMGPOBSA-N 304.306 -0.274 30 20 DBED CC#CCN1CCC(N(C)C(=O)Cn2ncn(C)c2=O)CC1 1005625004 JOLUABFGIFFZLF-UHFFFAOYSA-N 305.382 -0.472 30 20 DBED C#Cc1ccccc1CC(=O)N1CC[C@@H](NC(=O)C(N)=O)[C@H]1C 1011940821 ROYRQPMAUQPCMV-BXUZGUMPSA-N 313.357 -0.199 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@H](N[C@H]2CCN(C)C2=O)C1 1018984967 HHXCDSIRUMRVQK-KKUMJFAQSA-N 318.421 -0.495 30 20 DBED Cn1nnc(CN[C@H]2C[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)n1 1020084609 LOFLSLSKLQPVIO-MGCOHNPYSA-N 300.326 -0.540 30 20 DBED N#Cc1cccc(CN[C@H]2C[C@@H](NC(=O)[C@H]3CNC(=O)N3)C2)c1 1022629282 ACVMIMLWXKINCL-HZSPNIEDSA-N 313.361 -0.024 30 20 DBED C=C(C)CN1CCC[C@@H]1CNC(=O)[C@@H]1CCS(=O)(=O)N1 1028325151 HOYBZHACEPTHCG-NEPJUHHUSA-N 301.412 -0.165 30 20 DBED C#CCCN1CC(CNC(=O)[C@@H]2CC(=O)N(CCOC)C2)C1 1031711179 DEXBDHRQZSJHHB-CQSZACIVSA-N 307.394 -0.447 30 20 DBED C#CCN1CCCC[C@@H](NC(=O)[C@@H]2COCCN2C(C)=O)C1 1034533694 WXYVCIQMPDBEPI-CABCVRRESA-N 307.394 -0.162 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)CN3CC(=O)N(C)C3=O)CC[C@@H]21 1036868684 QXXLLQIVZHNTHI-OLZOCXBDSA-N 318.377 -0.564 30 20 DBED C=CCCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)CN1CC(=O)N(C)C1=O 1037674011 FPWJMOJUDXRKHB-UHIISALHSA-N 306.366 -0.355 30 20 DBED C=CCCOCC(=O)NC[C@@]1(O)CCN(C(=O)c2cocn2)C1 1040162364 VNSNYJNCFRYQSQ-HNNXBMFYSA-N 323.349 -0.040 30 20 DBED C=CCCC(=O)N1CC[C@@](O)(CNC(=O)Cn2ccnc2)C1 1040213980 DPTKLPGMUAGKGN-OAHLLOKOSA-N 306.366 -0.071 30 20 DBED Cn1cncc1C(=O)NC[C@]1(O)CCN(C(=O)C#CC2CC2)C1 1040234143 FFYRMEQCHKZPKV-MRXNPFEDSA-N 316.361 -0.473 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)c2nccs2)C1 1040760024 LLRYQNAIEBLASY-ZANVPECISA-N 308.363 -0.004 30 20 DBED Cc1nccn1CC(=O)N1CC[C@@](O)(CNC(=O)[C@@H](C)C#N)C1 1040765387 IFOBZUXYSMKFOP-XHDPSFHLSA-N 319.365 -0.569 30 20 DBED C=CCCO[C@H](C)C(=O)N1CC(O)(CNC(=O)[C@@H](C)OC)C1 1041754939 WWVJZCPOUQGWGD-VXGBXAGGSA-N 314.382 -0.308 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)c2ncoc2C)C1 1041818490 OETYSVPIBVSANP-UHFFFAOYSA-N 321.333 -0.674 30 20 DBED C#CCN1CC[C@@H]2CCN(C(=O)CN3CCC(=O)NC3=O)C[C@H]21 1042304830 SCMXWXUWTWMVRJ-CHWSQXEVSA-N 318.377 -0.516 30 20 DBED C=CCN1CC[C@@H](N2CC(N(C)C(=O)Cn3cccn3)C2)C1=O 1042475060 HHEQZGIGVZTIRE-CQSZACIVSA-N 317.393 -0.187 30 20 DBED C=C1CC(C)(C(=O)N2CC(O)(CNC(=O)CC(=O)NC)C2)C1 1042727819 QSINYPIAYCGTOS-UHFFFAOYSA-N 309.366 -0.832 30 20 DBED CC[C@@H]1OCC[C@H]1C(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042957961 CCBJAZDDPPBKDQ-KGLIPLIRSA-N 320.389 -0.096 30 20 DBED CO[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1NC(=O)c1cnn[nH]1 1043025608 WTBKUONRZDKDJZ-GHMZBOCLSA-N 314.309 -0.900 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)[C@@]2(C)CCOC2)C1 1043040141 OIEUGWUAEKHFHP-WFASDCNBSA-N 324.377 -0.859 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2cocc2C)C1 1043044310 WISBDWUNEZIGJB-LBPRGKRZSA-N 320.345 -0.071 30 20 DBED C=C(C)CCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCC(=O)NC2)C1 1043319532 GFMKGZJEWDWKFM-GFCCVEGCSA-N 323.393 -0.442 30 20 DBED CCc1cnc(CC(=O)NCC2(O)CN(C(=O)[C@@H](C)C#N)C2)[nH]1 1043656361 RGIIRWXLQOELPO-JTQLQIEISA-N 319.365 -0.636 30 20 DBED N#Cc1cnc(N2C[C@H](O)[C@H](NC(=O)c3cnco3)C2)cn1 1044362056 YSKMSBCNEYVVAS-ZJUUUORDSA-N 300.278 -0.684 30 20 DBED C=CCN1CC[C@@H](N2CCN(C(=O)CCn3cnnn3)CC2)C1 1046073558 IWTKVSYECMLELO-CQSZACIVSA-N 319.413 -0.532 30 20 DBED Cc1cc(CCC(=O)NCC2(O)CN(C(=O)[C@H](C)C#N)C2)no1 1046370697 DAANBRZAXLMNOD-SNVBAGLBSA-N 320.349 -0.235 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)N2C(=O)CCC2=O)C1 1047400590 ANRHTMXWOJAFRD-AVGNSLFASA-N 321.377 -0.949 30 20 DBED C=CCCC(=O)N(C)[C@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@@H]1O 1048530921 OXLOIMCPVGNIAE-RHYQMDGZSA-N 309.366 -0.896 30 20 DBED C=CCOCC(=O)N(C)[C@H]1CN(C(=O)[C@H](C)OCC)C[C@@H]1O 1048554649 CEHNVEMMNNFPSP-AVGNSLFASA-N 314.382 -0.356 30 20 DBED C[C@H](C(N)=O)N1C[C@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2C1 1048750246 VJXCHWFAOBHNEY-JLLWLGSASA-N 301.350 -0.236 30 20 DBED CC#CCN1CCOC[C@H]1CNC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1051041308 WWECJHBALWULJU-XUWVNRHRSA-N 322.405 -0.122 30 20 DBED Cn1nc2c(c1C(=O)NC[C@@H]1COCCN1CC#N)CCC2 1051205542 ZALRMXMTFRNROJ-LLVKDONJSA-N 303.366 -0.137 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1C 1051922296 PXNCPVKUBYDCPF-RYUDHWBXSA-N 322.369 -0.914 30 20 DBED C=CCN1CCN([C@H]2CCN(C(=O)[C@@H]3CCNC3=O)C2)CC1 1052060173 YTUYIDWDBGOKED-UONOGXRCSA-N 306.410 -0.473 30 20 DBED CC(C)C#CC(=O)N1C[C@H](C)[C@H](CNC(=O)CNC(N)=O)C1 1052527929 AQMNGOQMBOLHNA-NWDGAFQWSA-N 308.382 -0.475 30 20 DBED C=CCN1CC2(C1)CN(C(=O)[C@H]1COCCN1CC)CCO2 1053321939 QUABLFNYSPIJIJ-CQSZACIVSA-N 309.410 -0.194 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)[C@H]3CCC(=O)NC3)CO2)C1 1053856057 ZZMUEYXQXXMQEF-QWHCGFSZSA-N 305.378 -0.505 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)c3cn(CC)nn3)CO2)C1 1053969370 MHVUVIIYCFOYCS-GFCCVEGCSA-N 303.366 -0.106 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)[C@H]3CCc4nn[nH]c4C3)CO2)C1 1053981949 ZCCWLXDHQLBARY-RYUDHWBXSA-N 315.377 -0.498 30 20 DBED Cn1nnc(C(=O)NC[C@H]2Cc3ccccc3CN2CC#N)n1 1054051289 ZPOZSMQSGBXYFA-CYBMUJFWSA-N 311.349 -0.110 30 20 DBED C=CCCC(=O)N[C@]1(CO)CCCN(C(=O)c2ncn(C)n2)C1 1055823941 MKUPWCHNIRYCMA-OAHLLOKOSA-N 321.381 -0.135 30 20 DBED Cc1cc(C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N)cnn1 1057433347 MXNHUYOOLLLLAT-JTQLQIEISA-N 305.338 -0.505 30 20 DBED CC#CCCCC(=O)NCCN(CCO)C(=O)c1cnnn1C 1057474456 MKESRZDBXXYNET-UHFFFAOYSA-N 321.381 -0.441 30 20 DBED CCn1cc(C(=O)NCCN(CCO)C(=O)C#CC(C)C)nn1 1057522045 UCHKMIZTCAZRKV-UHFFFAOYSA-N 321.381 -0.492 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)[C@H]1CCN(C)C1 1057631650 BWKNDSRVUFQIDL-ZDUSSCGKSA-N 313.398 -0.922 30 20 DBED Cn1nnc(C(=O)N[C@H]2CCCN(c3cncc(C#N)n3)C2)n1 1058219227 NPNCJAJIWVKWTH-VIFPVBQESA-N 313.325 -0.729 30 20 DBED C#CCOCCC(=O)NCCN(CCO)C(=O)[C@@H](F)C(C)C 1058431197 PDMKCYOBPJGDAC-AWEZNQCLSA-N 316.373 -0.043 30 20 DBED C#CCO[C@H](C)C(=O)NCCN(CCO)C(=O)c1ncccn1 1058522871 ZSGUTKHTDKIDDF-GFCCVEGCSA-N 320.349 -0.934 30 20 DBED C[C@]1(C(=O)N2CC[C@H](N=c3cc[nH]c(C#N)n3)C2)CNC(=O)C1 1059007936 VDROZHXDIRVODK-ZUZCIYMTSA-N 314.349 -0.691 30 20 DBED Cn1cc(C(=O)NC[C@H]2CCN(c3nccnc3C#N)C2)nn1 1061582722 ILOLMQFVXBKAIZ-SNVBAGLBSA-N 312.337 -0.267 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCCC[C@@H]1CNC(=O)CC(N)=O 1062169744 BJPCYVCJELLQTB-ABAIWWIYSA-N 311.382 -0.314 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NCC1(NC(=O)C(N)=O)CCC1 1063034326 YAHOPICBAFEPLZ-NSHDSACASA-N 324.381 -0.902 30 20 DBED C=CCO[C@H](C)C(=O)NCC1(NC(=O)[C@@H]2CNC(=O)N2)CCC1 1063424156 NCMLMINZZQHMKR-MNOVXSKESA-N 324.381 -0.586 30 20 DBED N#Cc1ccc(N2CCO[C@@H](CNC(=O)c3cnn[nH]3)C2)nn1 1063673543 PGFDRNPBJKTJOJ-JTQLQIEISA-N 314.309 -0.898 30 20 DBED N#Cc1cncc(N2CC[C@H]3CCN(C(=O)C(N)=O)C[C@H]32)n1 1064698968 KWDLCNBMWNQYGD-MWLCHTKSSA-N 300.322 -0.739 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC[C@@H](NC(=O)CNC(N)=O)CC1 1065828852 OFCHCMOHOQTVGG-VXGBXAGGSA-N 324.381 -0.810 30 20 DBED N#Cc1nccnc1N1CCOC[C@H]1CNC(=O)c1cnco1 1066509523 HXVNEWAMAOSYJJ-SNVBAGLBSA-N 314.305 -0.029 30 20 DBED CCc1nc(C#N)cc(N2CC[C@@H](NC(=O)C(N)=O)C[C@@H]2C)n1 1067565108 HGIMRSOJRIVOOH-VHSXEESVSA-N 316.365 -0.131 30 20 DBED C=CCCC(=O)N1CCOC2(C1)CN(C(=O)c1cnn[nH]1)C2 1068344055 IQTAFTPXKANIEG-UHFFFAOYSA-N 305.338 -0.176 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H](C)n2cncn2)C1 1069912070 MBTFONNNJIPBDQ-UPJWGTAASA-N 314.353 -0.895 30 20 DBED C=CCN[C@@H]1CN(C(=O)Cn2cccn2)C[C@@H]1n1ccnn1 1070141438 OARZCFUHQRDGDX-OLZOCXBDSA-N 301.354 -0.298 30 20 DBED CC(=O)N1CC(C(=O)N2CCC[C@@H](NC(=O)C#CC3CC3)C2)C1 1070660655 CWSRXIZQULBXLE-OAHLLOKOSA-N 317.389 -0.015 30 20 DBED C=CCO[C@H](C)C(=O)N1CCC[C@@H](NC(=O)CC(=O)NC)C1 1070903855 LOBSXYPZWURFQR-VXGBXAGGSA-N 311.382 -0.179 30 20 DBED C#CCOCCC(=O)N1C[C@@H](NC(=O)Cc2ncc[nH]2)[C@H](C)C1 1072102373 UWXWCMZWVGALKL-CHWSQXEVSA-N 318.377 -0.045 30 20 DBED C=CCCOCC(=O)N1C[C@H](C)[C@@H](NC(=O)CC(=O)NC)C1 1072334099 WSVRIFNKVCDCST-RYUDHWBXSA-N 311.382 -0.322 30 20 DBED COCCn1ccc(C(=O)NC[C@@H]2CN(CC#N)CCCO2)n1 1073690904 KVISPOKICQTBAH-CYBMUJFWSA-N 321.381 -0.126 30 20 DBED C=CCOCC(=O)N1CC[C@@H](NC(=O)CNC(N)=O)[C@@H](C)C1 1073705066 PZRLYJWVDFZIOQ-WDEREUQCSA-N 312.370 -0.790 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCN(C(=O)CCOC)C[C@H]1C 1073891192 MYMLBZKVFZDGGT-CHWSQXEVSA-N 323.393 -0.484 30 20 DBED CNC(=O)NCC(=O)N[C@H]1CCN(C(=O)C#CC(C)C)C[C@H]1C 1074010869 KZFPQHJWIZEKOC-OLZOCXBDSA-N 322.409 -0.072 30 20 DBED C[C@@H]1C[C@@H](NC(=O)CC(N)=O)CCN1C(=O)CSCC#N 1074908527 ZXHLYVVBHIHDMZ-ZJUUUORDSA-N 312.395 -0.386 30 20 DBED C=CCOCC(=O)N[C@@H](C)CCNC(=O)CNC(=O)NC 1076900907 KRCHVAHNJSNBEN-JTQLQIEISA-N 300.359 -0.871 30 20 DBED C[C@@H]1CCc2nc(C(=O)N[C@@H]3CN(CC#N)C[C@H]3O)cn2C1 1077224770 BLBKIGMHDSSJAT-NQBHXWOUSA-N 303.366 -0.236 30 20 DBED C[C@@H](CCNC(=O)[C@H]1C[C@H]1C(N)=O)NC(=O)c1c[nH]c(C#N)c1 1078486872 UAUPEOUIWZNYSA-AXTRIDKLSA-N 317.349 -0.368 30 20 DBED C=CCO[C@H](C)C(=O)N1CC(N(CC)C(=O)Cn2cnnn2)C1 1079288418 MXWAWJJFBJZEPQ-LLVKDONJSA-N 322.369 -0.677 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)c2cn(C)nn2)C1 1079709505 FNCVOTOMPHTKMA-NSHDSACASA-N 319.365 -0.474 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(N(CC)C(=O)[C@H]2CCNC2=O)C1 1080218229 WGGWXCWXZBGPFA-BLLLJJGKSA-N 323.393 -0.491 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CO)(NC(=O)CC(=O)N(C)C)CC1 1080863761 BTFQXULHQATUBF-NSHDSACASA-N 324.381 -0.906 30 20 DBED CC(F)(F)C(=O)NC[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 1081182778 DJIHPWVXRODKTB-QWRGUYRKSA-N 300.305 -0.010 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)C(C)(F)F)C[C@@H]1O 1081344143 MRRJDBKCGVEGOH-ZJUUUORDSA-N 306.309 -0.220 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cn(C)cn2)C1 1081407094 CSZJWPHIBSVQGN-GXTWGEPZSA-N 318.377 -0.371 30 20 DBED Cc1ncoc1C(=O)N1C[C@@H](O)[C@H](CNC(=O)C#CC2CC2)C1 1081470799 GBIQYRZBAXHJFG-CHWSQXEVSA-N 317.345 -0.054 30 20 DBED CC(C)(C)C#CC(=O)NC[C@H]1CN(C(=O)c2cnn[nH]2)C[C@H]1O 1081477351 RRQLTGRZOFAYEN-CMPLNLGQSA-N 319.365 -0.597 30 20 DBED C=CCOCC(=O)N1C[C@H](CNC(=O)Cn2ccnc2)[C@@H](O)C1 1081576651 DAUYZQWNLMJJQC-STQMWFEESA-N 322.365 -0.979 30 20 DBED C#CCN1C[C@@H](NC(=O)c2cnn(CCN(C)C)c2)[C@H](OC)C1 1082223106 BUNARBCUWXQFTN-HUUCEWRRSA-N 319.409 -0.493 30 20 DBED CCc1cc(CC(=O)N2CCO[C@@H]3CN(CC#N)C[C@@H]32)n(C)n1 1083150075 CHDRQYNDDRIRPE-LSDHHAIUSA-N 317.393 -0.040 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CN(C[C@H]3CCOC3)C[C@@H]2O)c1 1083390373 ODGFUOAZCONBEX-HONMWMINSA-N 304.350 -0.302 30 20 DBED Cc1nonc1CN1C[C@H](O)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 1083414302 WQHFFSQLNCMUST-OLZOCXBDSA-N 316.321 -0.447 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCc3nn[nH]c3C2)C1 1083950034 WYEYRBSMNSZVJR-GDLCADMTSA-N 303.366 -0.906 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCc3nncn3C2)C1 1084085931 KDKBRNWTFGHKPK-XQQFMLRXSA-N 303.366 -0.975 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)CCn3cc[nH]c(=O)c3=O)[C@@H]2C1 1084724616 LUHXJEGARHEMLJ-CHWSQXEVSA-N 316.361 -0.907 30 20 DBED C#CCCN1CC[C@H](NC(=O)Cn2ncn(C)c2=O)[C@H]1CC 1087631532 GUXBWEHEFNSMAO-QWHCGFSZSA-N 305.382 -0.426 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)CC2CS(=O)(=O)C2)[C@@H](O)C1 1090372045 PFIHVGCZOZTVIW-OLZOCXBDSA-N 316.423 -0.451 30 20 DBED C=CCCN1CC[C@@H](NC(=O)c2cncc(C(N)=O)c2)[C@H](O)C1 1090820079 MIQQPEZPBWGOMK-ZIAGYGMSSA-N 318.377 -0.078 30 20 DBED COc1ncnc(OC)c1C(=O)N[C@@H]1CCN(CC#N)C[C@@H]1O 1090843082 GAWLHVVJXMMKQB-ZJUUUORDSA-N 321.337 -0.818 30 20 DBED CC(=O)CCCC(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1091063191 MZHGTMFRFBJKAB-OLZOCXBDSA-N 317.349 -0.227 30 20 DBED CCOc1cc(N2C[C@H](O)[C@H](NC(=O)C#CC3CC3)C2)ncn1 1091097675 ORCSERGPWYHDMN-OLZOCXBDSA-N 316.361 -0.046 30 20 DBED C[C@H](NC(N)=O)C(=O)NC[C@H]1C[C@@H](Nc2nccnc2C#N)C1 1091339590 LDCADNKDNNIIGT-LPEHRKFASA-N 317.353 -0.288 30 20 DBED Cc1nc(N2C[C@@H](C)[C@H](CNC(=O)C(N)=O)C2)ccc1C#N 1092442249 LOSAYYYOGVGQJE-BXKDBHETSA-N 301.350 -0.065 30 20 DBED C=C(C)CN1CC(OC2CCN(C(=O)[C@H]3CNC(=O)N3)CC2)C1 1093565852 FDTJMJWIHKNAPN-CQSZACIVSA-N 322.409 -0.064 30 20 DBED C#CCN1CC(n2cc(CNC(=O)C3CCN(C)CC3)nn2)C1 1094314837 CALSAAJGSNPPGA-UHFFFAOYSA-N 316.409 -0.274 30 20 DBED C=CCCN1CC(N2C[C@H](NC(=O)[C@@H]3COCCO3)CC2=O)C1 1094710381 SUAVZQUFTXJPQA-OCCSQVGLSA-N 323.393 -0.621 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)[C@H]3CCNC(=O)C3)CC2=O)C1 1094721107 VBUINJOGFYNJHQ-RYUDHWBXSA-N 320.393 -0.900 30 20 DBED C[C@@H](CC(N)=O)C(=O)N1CC[C@H](N(C)c2nccnc2C#N)C1 1095149232 CAEXMDJKCNNMLW-QWRGUYRKSA-N 316.365 -0.103 30 20 DBED CCN(CCCNC(=O)[C@@H]1CCC(=O)N1)c1ccnc(C#N)n1 1095899349 ZEYGJNNJRNWVPI-NSHDSACASA-N 316.365 -0.041 30 20 DBED CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCCN(c2nccnc2C#N)C1 1096135411 XQORIHCQOKRFOU-CMPLNLGQSA-N 316.365 -0.042 30 20 DBED Cc1cc(=N[C@@H](C)CCNC(=O)CNC(N)=O)c(C#N)c[nH]1 1098781430 GKYWYJFPYDNGDZ-VIFPVBQESA-N 304.354 -0.341 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2coc(C)n2)[C@H](O)C1 1099792514 VUQAKNXRVOIYFK-GXTWGEPZSA-N 307.350 -0.202 30 20 DBED Cn1ncnc1CN1CC[C@H](NC(=O)C#CC2CC2)[C@@H](O)C1 1099826727 PAQNXPGZGHMORD-STQMWFEESA-N 303.366 -0.720 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)c2cncn2C)[C@@H](O)C1 1099906037 IBUAVGYSPMZMRU-OCCSQVGLSA-N 308.382 -0.212 30 20 DBED CC#CCCCC(=O)N[C@H]1CCN(CCOCCO)C[C@H]1O 1099961777 CJTHYSOQIZQTNG-LSDHHAIUSA-N 312.410 -0.260 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2n[nH]cc2F)[C@@H](O)C1 1099991682 OMXKYXDEXNCHHM-RYUDHWBXSA-N 310.329 -0.636 30 20 DBED C=CCCN1CC[C@H](NC(=O)CS(=O)(=O)N(C)C)[C@H](O)C1 1100092969 VNTNDUNDWDDRTM-NWDGAFQWSA-N 319.427 -0.995 30 20 DBED CCN1CCO[C@H](C(=O)NCCN(C)c2nccnc2C#N)C1 1100134633 BODFRRCQDDKZHT-ZDUSSCGKSA-N 318.381 -0.379 30 20 DBED CNS(=O)(=O)CC(=O)NCCN(C)c1ccc(C#N)cn1 1100140676 ZBKFAVBPQXYETR-UHFFFAOYSA-N 311.367 -0.945 30 20 DBED CN(CCNC(=O)CCS(C)(=O)=O)c1ncccc1C#N 1100394178 PTIXPOQRHYOLNN-UHFFFAOYSA-N 310.379 -0.060 30 20 DBED COCC#CCN1C[C@@H]2CN(C(=O)CN(C)C(C)=O)C[C@]2(C)C1 1101136429 TWZUONDSDFJEOR-WBVHZDCISA-N 321.421 -0.105 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CN(C(=O)[C@@H](C)COC)C[C@]2(C)C1 1101171431 AZDOKVQUMVKSLF-VBQJREDUSA-N 321.421 -0.201 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)[C@@H](OC)C2CC2)C1 1101932060 DJFIXEUVHMTFDN-XPKDYRNWSA-N 321.421 -0.155 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1CNC(=O)[C@H]1CC1(F)F 1101937092 RAMZHXCJEPHGNY-GMTAPVOTSA-N 314.336 -0.035 30 20 DBED C=CCN1C[C@@H](C)[C@H](CNC(=O)CCCS(N)(=O)=O)C1 1102297154 LLZWRYURPPVKFH-VXGBXAGGSA-N 303.428 -0.075 30 20 DBED CC[C@@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)Nc1cncc(C#N)n1 1103262053 XCLAEYQXVCIYNJ-ONGXEEELSA-N 317.353 -0.321 30 20 DBED C#CCN1C[C@@H](C)[C@H](CCNC(=O)C[C@H](NC(C)=O)C(N)=O)C1 1103501122 BACWPRJXVFUAKE-BNOWGMLFSA-N 322.409 -0.926 30 20 DBED C[C@H](CNC(=O)Cn1cnnc1O)CNc1cnc(C#N)cn1 1103958740 ZADOGMSJUMZVMC-VIFPVBQESA-N 316.325 -0.490 30 20 DBED C#CCCNCc1cn(C2CN(C(=O)[C@@H](COC)OC)C2)nn1 1105323700 GJGUBOUHQZNPLP-CQSZACIVSA-N 321.381 -0.564 30 20 DBED C#CCNCc1cn(C2CN(C(=O)[C@@H]3CCN(C)C3)C2)nn1 1105372379 CIVSSPQASSJBLK-GFCCVEGCSA-N 302.382 -0.664 30 20 DBED CN(CCN(C)c1cnc(C#N)cn1)C(=O)C[C@H]1CCC(=O)N1 1105429568 FTEOGTNTOVGQBF-LLVKDONJSA-N 316.365 -0.088 30 20 DBED CN(CCN(C)c1ccc(C#N)nn1)C(=O)C[C@H]1CCC(=O)N1 1105430560 PIWCPIAOAMLAJR-LLVKDONJSA-N 316.365 -0.088 30 20 DBED Cc1cc(C#N)nc(N(C)CCN(C)C(=O)c2nc[nH]n2)n1 1105443870 CYIWZWCHCWBDRU-UHFFFAOYSA-N 300.326 -0.017 30 20 DBED COCCCCC(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1 1105779741 IURKYTYOMZSSLH-NSHDSACASA-N 307.354 -0.524 30 20 DBED N#Cc1cc(C(=O)NC[C@H](O)CN=c2cc[nH]cc2C#N)c[nH]1 1105830704 KQPPJFMLAQZDFU-CYBMUJFWSA-N 310.317 -0.222 30 20 DBED CCN(CC)CC(=O)NC[C@H](O)CN=c1cc(C)[nH]cc1C#N 1105869383 RFFRYASZVXCWJX-CQSZACIVSA-N 319.409 -0.086 30 20 DBED Cc1conc1C(=O)NC[C@@H](O)CNc1cnc(C#N)cn1 1105955069 LYVUUAHNAQTSJO-JTQLQIEISA-N 302.294 -0.153 30 20 DBED CO[C@@H](C(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1)C1CCC1 1106037664 FDZWBSOKAHYRMD-SMDDNHRTSA-N 319.365 -0.526 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)[C@@H]2CCNC2=O)C[C@H]1C 1106522065 CELHHEFKJFDTBH-MGPQQGTHSA-N 307.394 -0.544 30 20 DBED C[C@@H]1CN(C(=O)[C@@H](C)NS(C)(=O)=O)C[C@H]1CNCC#N 1106703162 CLPGNJCUJNXJSD-GMTAPVOTSA-N 302.400 -0.868 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)[C@H]2COCCN2C(C)=O)C[C@H]1C 1107002520 DUJLQTMUJUUQAN-FVQBIDKESA-N 321.421 -0.059 30 20 DBED CCc1nc(C#N)cc(NC[C@@H](C)NC(=O)CC(=O)NC)n1 1107717318 ZMVMQPUCLANZEA-SECBINFHSA-N 304.354 -0.037 30 20 DBED C[C@H](CN=c1cc[nH]cc1C#N)NC(=O)C1CC(=O)NC(=O)C1 1107831280 VZOHWPCRNAYABW-SECBINFHSA-N 315.333 -0.655 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)C[C@H]2CCN(C)C2=O)C1 1108015391 WUOASJMWHOKSMZ-CZUORRHYSA-N 307.394 -0.305 30 20 DBED Cc1cc(=NC[C@@H](C)NC(=O)[C@H]2CCNC2=O)c(C#N)c[nH]1 1108039449 DHLKJKQOWWALFP-PWSUYJOCSA-N 301.350 -0.264 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)Cc2cn(CC)nn2)C1 1108090993 ZJQSETDEKJCWEG-OAHLLOKOSA-N 305.382 -0.319 30 20 DBED C[C@@H](CNc1nccnc1C#N)NC(=O)C[C@@H]1CCNC1=O 1108573716 FFXPLPJEHAZCAZ-UWVGGRQHSA-N 302.338 -0.209 30 20 DBED C[C@@H](CN(C)c1cncc(C#N)n1)NC(=O)[C@]1(C)CCNC1=O 1109240525 NWKHLHRWGGMHAN-ZUZCIYMTSA-N 316.365 -0.185 30 20 DBED CN(CCCNc1cnc(C#N)cn1)C(=O)[C@H]1CCNC1=O 1109578528 GWCFHCRQESHBJG-NSHDSACASA-N 302.338 -0.255 30 20 DBED CCCOCC(=O)NC[C@@]1(O)CCN(c2ccc(C#N)nn2)C1 1111037819 LGJAYYAYGVPLAG-HNNXBMFYSA-N 319.365 -0.168 30 20 DBED C=CCOCC(=O)NC[C@]1(O)CCN(c2cncc(C#N)n2)C1 1111039200 AUGQSSZKQZUAGE-OAHLLOKOSA-N 317.349 -0.392 30 20 DBED COCCCC(=O)NC[C@@]1(O)CCN(c2nccnc2C#N)C1 1111049816 BKEFSBWGPKCLID-HNNXBMFYSA-N 319.365 -0.168 30 20 DBED C=C[C@@](C)(O)CC(=O)N(C)[C@H]1CN(c2ncccn2)C[C@@H]1O 1111179838 AHCLTTALMYDYIK-SLEUVZQESA-N 306.366 -0.188 30 20 DBED C=CCN1CC[C@@H](N2CCN(C(=O)[C@@H](C)NC(C)=O)CC2)C1=O 1112603735 FANHXKRURXZXTN-TZMCWYRMSA-N 322.409 -0.558 30 20 DBED COCC#CCN1CCN(C(=O)c2ccc(=O)n(C)n2)CC1 1113608912 RJWWUKWPDGYIFF-UHFFFAOYSA-N 304.350 -0.812 30 20 DBED C[C@H](CC(N)=O)C(=O)NC[C@@H](C)N(C)c1cncc(C#N)n1 1113799629 JYPFZUUKDJORKK-NXEZZACHSA-N 304.354 -0.199 30 20 DBED C[C@H](CNC(=O)c1nnn(C)n1)N(C)c1nccnc1C#N 1113815175 WEGMZFSICBZDDK-MRVPVSSYSA-N 301.314 -0.874 30 20 DBED CC(C)CO[C@H](C)C(=O)NC1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]12 1113965197 KLIYDXUHGXPGSV-JHJVBQTASA-N 322.409 -0.266 30 20 DBED Cc1ncc(C(=O)NC2[C@H]3CN(CC(=O)NCC#N)C[C@H]23)[nH]1 1114037681 HGAGFOWURRAHAO-UWVGGRQHSA-N 302.338 -0.982 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC(C)C)C[C@@H]21 1114273974 YGIFRFZFWQSLLP-TTZDDIAXSA-N 321.421 -0.157 30 20 DBED CNC(=O)CC(=O)NCC1[C@H]2CN(c3ccc(C#N)nn3)C[C@H]12 1114530304 IWPUMFGJEYDEJF-VXGBXAGGSA-N 314.349 -0.717 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)CCc3ccon3)[C@H]2C1 1114570718 KJEQABSGTBHKID-STQMWFEESA-N 318.377 -0.044 30 20 DBED N#Cc1cnc(N2C[C@H]3[C@H](CNC(=O)Cn4nccn4)[C@H]3C2)cn1 1114580816 UMTZKOQQKSQYPL-XYYAHUGASA-N 324.348 -0.562 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)c3ccncn3)[C@H]2C1 1114992643 YEYFWTOPIALQAX-NMKXLXIOSA-N 313.361 -0.726 30 20 DBED CC#CCN1C[C@H]2[C@H](NC(=O)CNC(=O)c3cscn3)[C@H]2C1 1115083679 PJEGXSBYSJLWTJ-YABSGUDNSA-N 318.402 -0.057 30 20 DBED C[C@H](CN(C)C(=O)[C@H]1COCCN1C)Nc1ccc(C#N)nn1 1115682010 FDRWDOVXVCRQOS-DGCLKSJQSA-N 318.381 -0.062 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCO[C@H](C3CC3)C2)CCO1 1117531111 FTOIQCBMSRBAPB-XQQFMLRXSA-N 307.350 -0.189 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N[C@@H](COC)[C@H]1CCCO1 1117544960 SMRYCWBAZSLKRR-GRYCIOLGSA-N 300.355 -0.386 30 20 DBED C#CCCCNC(=O)C(=O)NC[C@@H]1CC2(CCNCC2)CO1 1119415528 WFQSVNSIALUTTD-ZDUSSCGKSA-N 307.394 -0.209 30 20 DBED Cn1nccc1CC(=O)NC[C@H](CO)N=c1cc[nH]cc1C#N 1121412671 RTWSNNSWUGMOCK-GFCCVEGCSA-N 314.349 -0.760 30 20 DBED CO[C@@H](C(=O)NC[C@@H](CO)Nc1ccc(C#N)nn1)C1CC1 1121506844 YWGWEEYKJGFUJN-WCQYABFASA-N 305.338 -0.338 30 20 DBED N#CCNC(=O)CNC1CC2(C1)CC(NC(=O)c1nc[nH]n1)C2 1121924418 ZLEHMORNSDRQGK-UHFFFAOYSA-N 317.353 -0.925 30 20 DBED Cn1cncc1C(=O)NC[C@H](CO)Nc1ccc(C#N)cn1 1122218937 QFIGOAHYYHVGGO-LLVKDONJSA-N 300.322 -0.110 30 20 DBED C=C[C@](C)(O)CC(=O)N(C)C[C@@H](O)CNc1ccc(C#N)nn1 1124266332 GZQDBBWIDMDVJC-WFASDCNBSA-N 319.365 -0.093 30 20 DBED CCN(CC)CC(=O)N(C)C[C@H](O)CN=c1cc[nH]c(C#N)n1 1124364195 FKVAXXMORLSMMA-GFCCVEGCSA-N 320.397 -0.657 30 20 DBED Cc1nc[nH]c1C(=O)N(C)C[C@@H](O)CN=c1cc[nH]c(C#N)n1 1124398651 CHHCGCYDUWTTJC-JTQLQIEISA-N 315.337 -0.653 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)c1cc[nH]c1C 1125430165 ZOKRVIGMHDHCAM-UHFFFAOYSA-N 307.354 -0.346 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)c1ccc(F)cn1 1126067124 VHUMTWCOLVAAKN-UHFFFAOYSA-N 323.328 -0.448 30 20 DBED C=C[C@](C)(O)CC(=O)NCCNCC(=O)NC(=O)NC1CC1 1126366175 RTGGIUBLXGRIPW-AWEZNQCLSA-N 312.370 -0.993 30 20 DBED C#CCOCCC(=O)NCCNCc1nnc2n1CCOC2 1127027147 KBDRGWAVKHQHHC-UHFFFAOYSA-N 307.354 -0.946 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)[C@@H]2CCN(C)[C@@H]2C)C1=O 1127638180 GBLLEFCIWDJUPB-MCIONIFRSA-N 308.426 -0.181 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)[C@@]12COC[C@@H]1C2 1127753871 PWACXONRWCJLOQ-ZETOZRRWSA-N 324.381 -0.871 30 20 DBED C#CCNC(=O)CC(=O)NCc1cnn2c1CN(C(C)C)CC2 1128311968 FHHKFIQYNFONPP-UHFFFAOYSA-N 317.393 -0.137 30 20 DBED CCOCC1(C(=O)N2C[C@H](n3ccnn3)[C@H](NCC#N)C2)CC1 1129917294 PLCSAHUXSQLVKJ-OLZOCXBDSA-N 318.381 -0.040 30 20 DBED CC#CCN1CC[C@H](c2n[nH]cc2CNC(=O)CNC(C)=O)C1 1130338106 SCKWZTIRPKIQSN-ZDUSSCGKSA-N 317.393 -0.025 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)[C@H]2COCCN2CC)C1=O 1130614996 HHJWBCGOGJVHOD-ZIAGYGMSSA-N 324.425 -0.800 30 20 DBED COCC#CCN1C[C@@H](NC(=O)CCn2cnnn2)CC[C@H]1C 1132380263 HRAVXKGKWHFNLV-KGLIPLIRSA-N 320.397 -0.318 30 20 DBED C=CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)c1ccc(O)nn1 1133610510 GQNDXCUHNVKIFO-MNOVXSKESA-N 321.381 -0.029 30 20 DBED C=CCCCNCCNC(=O)c1c[nH]nc1S(N)(=O)=O 1133621827 VFLPGUZBGTZENM-UHFFFAOYSA-N 301.372 -0.657 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)Cc1ccon1 1133987004 CBDZEYSYXGNTAA-NWDGAFQWSA-N 306.366 -0.161 30 20 DBED Cc1nc(CC(=O)N[C@H](C)C[C@@H](C)NCC(=O)NCC#N)n[nH]1 1134357644 YOFKALJIGMRBNU-NXEZZACHSA-N 321.385 -0.832 30 20 DBED C=CCn1cc(C(=O)NCCNCCOC[C@H]2CCCO2)nn1 1134973382 PBIFXNKSLBXZGM-CYBMUJFWSA-N 323.397 -0.021 30 20 DBED C=CCCn1cc(C(=O)NCCNCc2nc(O)n[nH]2)nn1 1135075702 VJRDMNSRVHXEJS-UHFFFAOYSA-N 306.330 -0.803 30 20 DBED C#CCO[C@H](C)C(=O)N1CC2(CCN(Cc3nc(O)n[nH]3)C2)C1 1147530446 MXIDDQPXWMXHSP-LLVKDONJSA-N 319.365 -0.417 30 20 DBED C=CCNC(=O)CN1CCC2(C1)CN(C(=O)c1ccncn1)C2 1148471714 MKWAYKGQDHMQEP-UHFFFAOYSA-N 315.377 -0.073 30 20 DBED COCC#CCN1CCCO[C@H](CNC(=O)c2ccnnc2)C1 1150364069 PQUIQXGSILBUJV-OAHLLOKOSA-N 318.377 -0.053 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)c2cn(C)nn2)C1=O 1157454380 NBPHISRLOZMLGB-NSHDSACASA-N 306.370 -0.689 30 20 DBED N#CCNC(=O)CNCCCNC(=O)[C@]12CCC[C@H]1OCC2 1162368507 HXOCTPXGVDHKPQ-DOMZBBRYSA-N 308.382 -0.319 30 20 DBED C=CCCNCCCNC(=O)c1nc(C)n(-c2nc[nH]n2)n1 1163623134 LWBUFWQYNRHYHG-UHFFFAOYSA-N 304.358 -0.021 30 20 DBED COCC#CCNCC1(CCNC(=O)[C@H]2CC(=O)N(C)C2)CC1 1165307143 ODDLFGGERSBRFM-AWEZNQCLSA-N 321.421 -0.009 30 20 DBED C=C(Cl)CNCCCNC(=O)[C@@H](CCC(N)=O)NC(C)=O 1168504715 WFLQYJHSZKKRQE-LLVKDONJSA-N 318.805 -0.395 30 20 DBED C[C@@H](CCCCNCC#N)NC(=O)Cn1cnc(C(N)=O)n1 1170879692 ZJYFYGZDDDBDEM-JTQLQIEISA-N 307.358 -0.835 30 20 DBED C#CCNCCCC[C@@H](C)NC(=O)[C@H]1CCS(=O)(=O)N1 1176638623 FTAYLTNHOFCBRT-VXGBXAGGSA-N 301.412 -0.424 30 20 DBED COCCCNC(=O)CN[C@H]1CCN(C(=O)[C@H](C)C#N)[C@H]1C 1178366521 JSIMKPKKMWBMKM-AGIUHOORSA-N 310.398 -0.122 30 20 DBED C#CCCN[C@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)[C@H]1C 1179921504 IILIHNUBBRNLEJ-QWRGUYRKSA-N 314.349 -0.367 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)CCC(=O)NCC)C1 1181591259 YZFJGRCGFJFCNA-QWHCGFSZSA-N 322.409 -0.769 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)Cc2n[nH]c(C)n2)C1 1182442949 UUJGICOEKCPKLP-LLVKDONJSA-N 306.370 -0.852 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@@H](NCCN2C(=O)CCC2=O)C1 1182472551 DLPNYCIFXKVCBB-CHWSQXEVSA-N 321.377 -0.636 30 20 DBED C#CCNC(=O)CNC[C@@H]1CCN(C(=O)CCN(C)C)C[C@H]1C 1185071956 CDDGWFZQOYTSKV-CABCVRRESA-N 322.453 -0.238 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2conc2C)C1 1185353596 MXZWIJMGYKVWDE-NWDGAFQWSA-N 304.350 -0.075 30 20 DBED N#CCNC[C@@H]1CN(C(=O)[C@@H]2COC(=O)N2)CC12CCOCC2 1186368929 YNSPVIWAGYDQIE-NEPJUHHUSA-N 322.365 -0.537 30 20 DBED N#CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3ccccn3)[C@@H]2C1 1186651853 PNIDMBVNIXZWPD-GXTWGEPZSA-N 313.361 -0.132 30 20 DBED CCCn1c(C)nnc1CN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)C#N)C1 1191853936 HSFBDRUPQURGBM-CYZMBNFOSA-N 320.397 -0.183 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CN(CC(=O)N2CCCCC2)C[C@H]1O 1191854753 REIOKFQTQRUBEU-JHJVBQTASA-N 308.382 -0.680 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2ncc(CC)o2)C[C@H]1O 1192844314 OZLZKSLHAJHOOL-MRVWCRGKSA-N 321.377 -0.063 30 20 DBED CN(CC#N)[C@@H]1CCN(C(=O)CNC(=O)c2cscn2)C1 1193310394 KFDKJRQGKDLQTJ-SNVBAGLBSA-N 307.379 -0.071 30 20 DBED C#CCCN(C)[C@H]1CCN(C(=O)CS(=O)(=O)N(C)C)C1 1193785880 BKPGQKQYADFALV-LBPRGKRZSA-N 301.412 -0.566 30 20 DBED C#CCOCCC(=O)N1CCCN([C@H]2CCN(C)C2=O)CC1 1195798677 LBKHHLZTRFRXTM-AWEZNQCLSA-N 307.394 -0.209 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCCN(C(=O)c2nc[nH]n2)CC1 1197484666 HXDYCEFXAPRUMS-LLVKDONJSA-N 306.370 -0.357 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)CCCCC(N)=O)CC1 1197760153 KFNDVTIYJMNSPX-UHFFFAOYSA-N 322.409 -0.684 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(Cc2nnc(C)o2)C[C@H]1O 1199292159 CLECHAZPTKNCNT-VXGBXAGGSA-N 310.354 -0.368 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)N2CCCC2=O)C1 1199421903 HEBCDZFSWJMGOM-UMVBOHGHSA-N 309.410 -0.019 30 20 DBED C#CCNC[C@H]1CN(C(=O)CNC(=O)c2ccco2)CCCO1 1201997382 GKARKJPHOCEGCX-ZDUSSCGKSA-N 319.361 -0.150 30 20 DBED CCOCC(=O)N[C@H]1C[C@@H](NCC(=O)NCC#N)C12CCC2 1202373256 ZQJFHUNABYQIJP-NEPJUHHUSA-N 308.382 -0.320 30 20 DBED C#CCOCCC(=O)N[C@H]1C[C@H](NCC(=O)NC)C12CCC2 1202921865 ZDGRDHAJDMTEMC-STQMWFEESA-N 307.394 -0.211 30 20 DBED C#CCN[C@@H]1C[C@H](NC(=O)COCc2nncn2C)C12CCC2 1203558200 XSUHXTGCZICCIP-OLZOCXBDSA-N 317.393 -0.018 30 20 DBED Cc1ncncc1C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1206230734 OZEYINDHDBRXAR-ZWNOBZJWSA-N 316.365 -0.525 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)Cc2nnc(C)o2)[C@H](C)C1 1206927963 AAKNAXVATJIJIA-ZYHUDNBSSA-N 319.365 -0.894 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)c2cn(C)nn2)[C@H](C)C1 1206928341 RFWPITNYQUBSQU-IJLUTSLNSA-N 318.381 -0.997 30 20 DBED Cc1cnc(C(=O)N2CCC[C@H](NCC(=O)NCC#N)C2)cn1 1207135827 LSCQVJIQBFBDAV-LBPRGKRZSA-N 316.365 -0.381 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC[C@H](NCc2nc(=O)n(C)[nH]2)C1 1208018910 WEBHKAIEEXZPME-NEPJUHHUSA-N 321.381 -0.773 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)c2ccncn2)[C@H](C)C1 1209606097 GZQYHQHHHYZTHE-YRGRVCCFSA-N 315.377 -0.335 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)Cc2cncn2C)C1 1210666881 AITUIUDCUPDLBZ-ZDUSSCGKSA-N 319.409 -0.155 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@@H](Cn1cccn1)N(C)C 1212406158 JTGJDJVYIBTLMS-MGPQQGTHSA-N 320.397 -0.848 30 20 DBED C=CCCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CN(C)C(=O)N1 1218428938 JAZATSVRAZEROA-MELADBBJSA-N 322.409 -0.112 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)c2ccc(C)o2)C1 1219138983 DZPFRKJGZROWEA-UPJWGTAASA-N 319.361 -0.499 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2cc(C)no2)C1 1219175462 IYNHVFAOONUCNE-MNOVXSKESA-N 308.338 -0.940 30 20 DBED CCN(CC)C(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)C#CC2CC2)C1 1219596134 HEEOCYQBAJELNG-CFVMTHIKSA-N 321.421 -0.182 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(CCc2ccnn2C)C[C@@H]1O 1219604826 ANXRRBJJZCDNGU-CFVMTHIKSA-N 320.393 -0.838 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@]2(C)C[C@@H]3C[C@@H]3C2)C1 1220052044 QAAHHEGUPRFAIL-XKSGDERDSA-N 319.405 -0.667 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)COCc2cccnc2)C1 1220864545 PWQPFASXJVWEQQ-CABCVRRESA-N 303.362 -0.217 30 20 DBED CC(=O)NCCOCCN1CC[C@@H]2CN(C(=O)[C@H](C)C#N)[C@@H]2C1 1221446440 JANJOHOACNDAEE-BPLDGKMQSA-N 322.409 -0.169 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C1=COCCO1 1224594281 OGGIOAIXCZUWGP-CHWSQXEVSA-N 321.377 -0.359 30 20 DBED CC#CCN1CCS(=O)(=O)[C@@H](CCNC(=O)CSC)C1 1230417060 YLVFWPKSXCWLIT-LBPRGKRZSA-N 318.464 -0.022 30 20 DBED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1cccc(C(N)=O)c1C 1256561092 YLBKBFLLUMWSAU-LLVKDONJSA-N 317.345 -0.077 30 20 DBED COCC#CCN[C@@H](C)CCNC(=O)[C@@H]1CCS(=O)(=O)C1 1266158523 PWRGKMWXRWSBPH-QWHCGFSZSA-N 316.423 -0.445 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@H](NC(=O)c2cn(CC)nn2)C1 1318291014 IKEGKMFXZMRHOQ-RYUDHWBXSA-N 318.381 -0.760 30 20 DBED O=C(NCCN/C(O)=C1/N=CC=CC1=O)NC[C@H](O)C1CC1 1318421147 IJMDEOZTNZTGJQ-IBPBOOLHSA-N 308.338 -0.417 30 20 DBED C=CCCOCCNC(=O)C(=O)N1CCN(C(=O)C2CC2)CC1 1323662778 FLQMWWOKBIZVDM-UHFFFAOYSA-N 323.393 -0.224 30 20 DBED C=CC1CCN(C(=O)C(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)CC1 1325546963 LQGIESRZHAWZRI-RYUDHWBXSA-N 309.366 -0.440 30 20 DBED CN(C)[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1326128872 STYVECSZUUOOQL-IOASZLSFSA-N 322.409 -0.148 30 20 DBED C=CCS(=O)(=O)CCN1C(=O)[C@@H]2[C@H](O)CCCN2C1=O 1326376432 WGYCOGMTJGXSJE-ZJUUUORDSA-N 302.352 -0.625 30 20 DBED Cc1cc(Cl)ncc1NC(=O)C(=O)NCC(=O)NCC#N 1326870203 IVUZZPBUYWUTJL-UHFFFAOYSA-N 309.713 -0.262 30 20 DBED C=CCCN(C)C(=O)C(=O)N[C@H]1CCN(S(C)(=O)=O)C1 1328980936 CCWLXRSPZONOBU-JTQLQIEISA-N 303.384 -0.829 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)c2nc3ncccn3n2)C1=O 1331171056 PUAACHBXRGMYEP-JTQLQIEISA-N 300.322 -0.017 30 20 DBED C=CCn1c(CO)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1340541027 SXHUVUUWLBVFCW-LLVKDONJSA-N 306.370 -0.003 30 20 DBED N#CC[C@H]1CCCN(C(=O)C(=O)NCCCn2cncn2)C1 1349087078 CKIBIVJKUQDFDS-GFCCVEGCSA-N 304.354 -0.063 30 20 DBED C=CCOCCNC(=O)C(=O)N1CCN(c2ncccn2)CC1 1350025382 ZAHNHFOPQYWLGJ-UHFFFAOYSA-N 319.365 -0.556 30 20 DBED Cn1cc(CNC(=O)CCn2cc(C#N)c(O)nc2=O)cn1 1362154888 VIVQKKBHLFIBEN-UHFFFAOYSA-N 302.294 -0.739 30 20 DBED C[C@H](NC(=O)CCn1cc(C#N)c(O)nc1=O)c1cnn(C)c1 1362333266 QYXPYSCMLOKLPS-VIFPVBQESA-N 316.321 -0.178 30 20 DBED C[C@@](O)(CC(=O)NCCn1cc(C#N)c(O)nc1=O)C1CC1 1362689176 OVYRHMRQRGVIBX-CQSZACIVSA-N 306.322 -0.512 30 20 DBED Cn1c(=O)[nH]c(N2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)c(C#N)c1=O 1364173606 WCYZHLXUDCPUKP-XKSSXDPKSA-N 303.322 -0.965 30 20 DBED CC(C)S(=O)(=O)CC(=O)NC[C@H](C)NC(=O)[C@@H](C)C#N 1377975178 XTLHIOUNEOPKEQ-UWVGGRQHSA-N 303.384 -0.410 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)CCNC(N)=O 1384308540 WFODYFGMMWDYOI-HBNTYKKESA-N 309.370 -0.252 30 20 DBED CO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1NC(=O)CCn1ccnc1 1384801074 SBCLWWQRQOQAQL-YNEHKIRRSA-N 319.365 -0.225 30 20 DBED CN(C)C(=O)CNC[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCO1 1402587427 AFZOUXRJFFAANO-LBPRGKRZSA-N 319.365 -0.595 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CN(C)C(=O)c1ccc(F)cn1 1405587930 PBNWSASBNGPSAC-KOLCDFICSA-N 308.313 -0.071 30 20 DBED N#Cc1ncn(CCNC(=O)N(CCO)C2CCOCC2)n1 1427472955 UZIZUZQYXTXHIZ-UHFFFAOYSA-N 308.342 -0.667 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(NC(=O)CCn2cncn2)CC1 1427574010 PQXJOJABGZJKTN-NSHDSACASA-N 304.354 -0.065 30 20 DBED CC(C)C[C@H](CNC(=O)[C@@H](C)C#N)NC(=O)CCn1cnnn1 1431114106 KBKHNOHWWVPGMI-NWDGAFQWSA-N 321.385 -0.130 30 20 DBED Cc1nn(C)cc1CCC(=O)NC[C@H](O)CNC(=O)[C@H](C)C#N 1452411979 QUEURYFEZHRAIQ-MFKMUULPSA-N 321.381 -0.586 30 20 DBED COC(=O)c1ncccc1S(=O)(=O)N1CCOC[C@@H]1C#N 1474970133 XPWFXZOBTPWGIS-VIFPVBQESA-N 311.319 -0.219 30 20 DBED COC[C@H]1CNCCN1C(=O)CCN/C(O)=C1/N=CC=CC1=O 1578988815 ITYJBMOQKPDFTK-PHIZWAGYSA-N 322.365 -0.650 30 20 DBED COc1cc(-c2nn[nH]n2)ccc1C(=O)NCC(=O)NCC#N 1579879275 XUPYKKJHYKQDIN-UHFFFAOYSA-N 315.293 -0.755 30 20 DBED N#CCCN(CCN1CCOCC1)C(=O)C[C@]1(O)CCCNC1 1580052252 ZFBOGACACZBFAJ-MRXNPFEDSA-N 324.425 -0.435 30 20 DBED C=C[C@@H](O)C(=O)OCc1cc(O)n2ncc(-c3nn[nH]n3)c2n1 1588526436 WHXKLPDESWRGHS-MRVPVSSYSA-N 317.265 -0.795 30 20 DBED C[C@@H](C(=O)N[C@H](Cn1ccnc1)C(=O)O)n1cnc(C#N)n1 1589389131 WHMKUHZJNKEFFF-DTWKUNHWSA-N 303.282 -0.823 30 20 DBED N#Cc1c(-c2nn[nH]n2)nc(N)n1CC(=O)NC1CCCCC1 1609496415 KPEXBZPYAVABAX-UHFFFAOYSA-N 315.341 -0.034 30 20 DBED C[C@H](OC(=O)[C@@H](O)c1ccc(C#N)cc1)C(=O)NCC(=O)O 1609790530 SWMGEHVELWLDPY-UFBFGSQYSA-N 306.274 -0.276 30 20 DBED N#Cc1cn(CCC(=O)N2CCc3nc[nH]c3C2)c(=O)nc1O 1646309217 UHRDGQPBGJMMRW-UHFFFAOYSA-N 314.305 -0.481 30 20 DBED CNS(=O)(=O)N1CCC(C(=O)N2CC[C@@](F)(C#N)C2)CC1 1647193790 HBOORXUVAWLAPU-GFCCVEGCSA-N 318.374 -0.373 30 20 DBED N#Cc1ccc([C@H](OC(=O)[C@@H]2CCS(=O)(=O)N2)C(N)=O)cc1 1649859009 DQWCOTLLXONYPO-QWRGUYRKSA-N 323.330 -0.680 30 20 DBED C#CCNC(=O)CNC[C@@H]1CCCCN1C(=O)[C@@H]1CCN(C)C1 1725031239 DZQUOABXEPMCCN-CABCVRRESA-N 320.437 -0.342 30 20 DBED CN(CC(=O)NCC#N)C[C@@H]1CCCN1C(=O)C[C@H]1CCOC1 1725099167 KVKQLDVTRJWKMY-KGLIPLIRSA-N 322.409 -0.024 30 20 DBED C=CCN1CC[C@@H](N[C@H](CNC(=O)CC(N)=O)C2CC2)C1=O 1752448568 GVUMUPCIJOLXNW-VXGBXAGGSA-N 308.382 -0.867 30 20 DBED C=CCCO[C@H](C)C(=O)NCCN(C)[C@@H]1CCC(=O)NC1=O 1753044787 FOTBKYNFOFUBJB-VXGBXAGGSA-N 311.382 -0.179 30 20 DBED C[C@H](C(=O)NC(N)=O)N(C)C[C@@H]1CCN(C(=O)C#CC2CC2)C1 1753348010 MJFRUKANRUAKOR-YPMHNXCESA-N 320.393 -0.237 30 20 DBED C#CCNC(=O)[C@@H](C)NC/C=C/CNC(=O)c1cnc(C)[nH]1 1754104216 QRICZHXYGIYBOH-MVIFTORASA-N 303.366 -0.268 30 20 DBED C=CCNC(=O)[C@@H](C)NC[C@@H](C)NC(=O)c1nccnc1N 1754221293 YGQDBLLUCQVFEL-NXEZZACHSA-N 306.370 -0.543 30 20 DBED C=CCNC(=O)NC(=O)CN(C)C[C@@H](C)NC(=O)[C@@H](C)C#N 1754306607 QILAHCGEXYCZKA-WDEREUQCSA-N 309.370 -0.406 30 20 DBED C=C[C@](C)(O)CC(=O)N(C)CCCNCC(=O)NC(=O)NC 1754367557 BJIRNPYCSNAUNQ-AWEZNQCLSA-N 314.386 -0.793 30 20 DBED COCC#CCNC[C@@H](NC(=O)CO[C@@H]1CCOC1)C1CC1 1754442135 TVXALXFKUNTVST-HUUCEWRRSA-N 310.394 -0.074 30 20 DBED CC#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CS(=O)(=O)NC 1754544126 WQTRMXHXFSLPCB-OLZOCXBDSA-N 313.423 -0.376 30 20 DBED C=CCCN1CC(O)(CNC(=O)CCN2C(=O)CCC2=O)C1 1754770658 TZEPFCXLAAUJFF-UHFFFAOYSA-N 309.366 -0.736 30 20 DBED C#CCNC(=O)CN1C[C@H]2CN(C(=O)c3ccnn3C)C[C@H]2C1 1754839941 JNFMBNWQQJUUEU-BETUJISGSA-N 315.377 -0.827 30 20 DBED C=CCN1CCN([C@@H]2CCN(C(=O)C[C@@H](C)NC(N)=O)C2)CC1 1755019789 RLXZAIVPNMABIG-ZIAGYGMSSA-N 323.441 -0.162 30 20 DBED C#CCN1CC2(CC[C@@H](CNC(=O)CO[C@H]3CCOC3)O2)C1 1755054685 SPNBGGMDNHGPNN-KBPBESRZSA-N 308.378 -0.225 30 20 DBED C#CCCN[C@H]1CN(C(=O)COCc2nncn2C)C[C@@H]1C 1755119031 MRZCXTMPSNPIBB-STQMWFEESA-N 305.382 -0.209 30 20 DBED CCCC[C@H](CNCC#N)NC(=O)c1cn(C)c(=O)n(C)c1=O 1755361600 WLIZLEWWFVTCSE-LLVKDONJSA-N 321.381 -0.514 30 20 DBED CC#CCN[C@@H]1CN(C(=O)CCNC(=O)COC)CC1(C)C 1755756873 HUTWFGYSONVJMV-CYBMUJFWSA-N 309.410 -0.011 30 20 DBED C#CCNC(=O)CNC[C@H](O)CN(C)C(=O)c1ocnc1CC 1755788758 YXTHZNBSTANTOY-NSHDSACASA-N 322.365 -0.991 30 20 DBED COCC#CCN(C)C[C@H](O)CN(C)C(=O)[C@H](C)n1cccn1 1755798666 YPLYFRVHTOARPZ-GJZGRUSLSA-N 322.409 -0.155 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H](CO)CNC(=O)CC(C)C 1756502560 PALBJJUEHZQICG-KBPBESRZSA-N 309.410 -0.277 30 20 DBED C=CCOCC(=O)NC[C@H](O)CN(C)C(=O)c1ccnnc1 1756680204 ILKULJAPFLUKQO-LBPRGKRZSA-N 308.338 -0.772 30 20 DBED C=CCOCCCC(=O)N1C[C@H](O)[C@H](NC(=O)c2cc[nH]n2)C1 1757155576 MFGPVVYFFIUBNK-OLZOCXBDSA-N 322.365 -0.306 30 20 DBED C=C[C@@H](CC)CC(=O)N[C@@H]1CN(C(=O)CNC(C)=O)C[C@@H]1O 1757204599 YWIOIMRZZIDSAL-XQQFMLRXSA-N 311.382 -0.587 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N2CCC3(CCO3)CC2)CCO1 1771689244 KSCDGDHJLUFGFA-LLVKDONJSA-N 301.368 -0.290 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)NC[C@@]1(C(=O)O)CCCOC1 1776398546 OBVFQSPEBPDCJW-PWSUYJOCSA-N 319.383 -0.064 30 20 DBED CO[C@@H]1C[C@H](C(=O)O)CN(S(=O)(=O)N(C)[C@@H](C)CC#N)C1 1777159207 MZUKNLGAVPXMTL-GARJFASQSA-N 319.383 -0.113 30 20 DBED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)c2cn[nH]c2)C1 1843502590 XOOHWVOGNOWIJX-UHFFFAOYSA-N 302.290 -0.685 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](C)NC=O 1847806157 FHJPJNLCYROTQS-XUXIUFHCSA-N 321.377 -0.639 30 20 DBED CC(C)COC[C@H](O)CNc1c(C#N)c(=O)n(C)c(=O)n1C 42108892 VAFMGUHOYABNQK-SNVBAGLBSA-N 310.354 -0.599 30 20 DBED C=CCN1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 121501698 VXBKJPBSBIOGTC-NSHDSACASA-N 308.425 -0.693 30 20 DBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCN(C)C 132493844 XJUAIWNCGXWDSK-NSHDSACASA-N 324.406 -0.097 30 20 DBED CCN1CCN(/C(=N/CC(C)C)NCC(=O)N(C)C)CC1=O 262356935 ZZOXDEMKWNSYDG-UHFFFAOYSA-N 311.430 -0.160 30 20 DBED CCCN(CC#N)C(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 266272432 OJMNHBUACLTVEN-AAXDQBDMSA-N 305.334 -0.089 30 20 DBED COc1ccc(CCN/C(N)=N/CCN2CCNC(=O)C2)cc1 272661903 SRTZMBOXTKSFRY-UHFFFAOYSA-N 319.409 -0.426 30 20 DBED COC[C@@H](Nc1c(C#N)c(=O)n(C)c(=O)n1C)[C@H]1CCCO1 278991095 DTSHDGZRBZUHKD-GHMZBOCLSA-N 308.338 -0.438 30 20 DBED Cn1c(=O)c2ccc(C(=O)N3CC(C)(C#N)C3)nc2n(C)c1=O 280405816 HOYKCUSOWDMYED-UHFFFAOYSA-N 313.317 -0.382 30 20 DBED CCOc1ccc(S(=O)(=O)NCCn2cnc(C#N)n2)cn1 285487448 DHWIOTNRQJAUGP-UHFFFAOYSA-N 322.350 -0.078 30 20 DBED Cn1c(N2CC[C@H](n3cccn3)C2)c(C#N)c(=O)n(C)c1=O 292385186 QKRHYRVPPUXHQI-JTQLQIEISA-N 300.322 -0.396 30 20 DBED C#CCN(C)CCCNC(=O)NCC(=O)NCC(F)(F)F 296155596 AJNJMNGVUJOKGU-UHFFFAOYSA-N 308.304 -0.081 30 20 DBED N#Cc1ccc(N2CCN(C(=O)C(=O)N3CCCC3)CC2)nn1 301941829 VBCOTKLSZTYETM-UHFFFAOYSA-N 314.349 -0.381 30 20 DBED C=CCN1CC[C@@H](N2CCN(c3nc(N)ns3)CC2)C1=O 328863243 ZEFJVIMTQCNDGC-SNVBAGLBSA-N 308.411 0.029 30 20 DBED CN(/C(O)=N/CCN1CCOC(C)(C)C1)[C@@H]1COC[C@H]1O 329466776 WCQLCIYBVWRFIR-VXGBXAGGSA-N 301.387 -0.297 30 20 DBED CN1C(=O)CC[C@@H]1C(=O)N(CCC#N)CCN1CCOCC1 329522268 GAVGRSBCPUUFHF-CYBMUJFWSA-N 308.382 -0.318 30 20 DBED C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cn(C)cn1 330500295 NYYHZASLADJUSX-SNVBAGLBSA-N 319.408 -0.216 30 20 DBED COC(=O)[C@@H](C)CN(C)S(=O)(=O)N1CCO[C@@H](C#N)C1 336898685 AKRDUBLCJWTNDT-UWVGGRQHSA-N 305.356 -0.804 30 20 DBED N#Cc1ccsc1NC(=O)C(=O)N1CCS(=O)(=O)CC1 340058277 VPHWSJDWJOQIBM-UHFFFAOYSA-N 313.360 -0.185 30 20 DBED CCCCn1c(N)c(N(C)CC(=O)NCC#N)c(O)nc1=O 342195142 UKFPGYLECMWHME-UHFFFAOYSA-N 308.342 -0.593 30 20 DBED COCCn1ccc(NC(=O)C(=O)N(C)CC(C)(C)C#N)n1 342936237 WWKYLVMRYVOVDF-UHFFFAOYSA-N 307.354 0.476 30 20 DBED CC#CCN(C)C(=O)C(=O)Nc1ccc(S(C)(=O)=O)nc1 344191162 UPWJTTOGUQDGND-UHFFFAOYSA-N 309.347 -0.095 30 20 DBED COC(=O)CCN1CC[C@@H](NS(=O)(=O)CCCC#N)C1=O 347206077 LTNCKQSUDIDTPP-SNVBAGLBSA-N 317.367 -0.626 30 20 DBED C=CCNC(=O)NC(=O)Cn1cc(S(=O)(=O)N(C)C)cn1 348131322 OXXVMDNYFMTYIL-UHFFFAOYSA-N 315.355 -0.855 30 20 DBED COc1ccc(C#N)cc1NC(=O)CN1C(=O)C(=O)N(C)C1=O 353667925 KZQBTWGJVUTZEJ-UHFFFAOYSA-N 316.273 -0.074 30 20 DBED CO[C@H]1CCN(C(=O)C(=O)Nc2nn(C(C)C)cc2C#N)C1 359239841 GJHXGQIPKUQLCF-NSHDSACASA-N 305.338 0.521 30 20 DBED CC(C)n1cc(C#N)c(NC(=O)C(=O)NCCN2CCC2)n1 359355014 ZJWRNQPPAJWFJC-UHFFFAOYSA-N 304.354 0.096 30 20 DBED CC[C@H](NS(=O)(=O)N1CCO[C@@H](C#N)C1)[C@H](O)C(C)C 416611425 CERQWSDGXSKEFU-SDDRHHMPSA-N 305.400 -0.159 30 20 DBED COC(=O)[C@@H](NS(=O)(=O)c1ccc(C#N)s1)[C@H](C)O 435443530 QSDVZMXEXWGTIU-RCOVLWMOSA-N 304.349 -0.180 30 20 DBED C=C[C@@H](CO)NC(=O)N[C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C 461206393 FJYJOOIZRDMIEP-MISXGVKJSA-N 321.381 -0.072 30 20 DBED COC(=O)CN(CC#N)C(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 487047605 RPBZGYNLMQBJNL-SECBINFHSA-N 305.294 -0.712 30 20 DBED C#CCN(CC#CC)C(=O)CNS(=O)(=O)c1cn(C)cn1 490802504 CAPDSPUKXVDAFP-UHFFFAOYSA-N 308.363 -0.817 30 20 DBED C#CCN1CCN(C(=O)CN2CCC3(CC2)CNC(=O)C3)CC1 490852744 MRCVITRKWNRDCE-UHFFFAOYSA-N 318.421 -0.634 30 20 DBED C#CCN(C)CCCNS(=O)(=O)N(CCC#N)CCOC 491068445 PHSOPJVRPZKSFQ-UHFFFAOYSA-N 316.427 -0.362 30 20 DBED C#CCN(C)C(=O)C(=O)N1CCC[C@@](COC)(C(=O)OCC)C1 491740942 RHNJNJPMGCMVNR-MRXNPFEDSA-N 324.377 -0.104 30 20 DBED COC(=O)CC[C@@H](NS(=O)(=O)N(C)C[C@@H](C)C#N)C(=O)O 563224439 AMNNVPIQZXJGLO-DTWKUNHWSA-N 321.355 -0.681 30 20 DBED C[C@H](C(=O)NCC1(C#N)CC1)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 565400276 BABAMJFKDSEYHB-JCIQBVFBSA-N 317.345 -0.043 30 20 DBED N#Cc1cccc(C(=O)N(CCO)CCN2CCOCC2)n1 589464532 BCOGXOJIZUDSFC-UHFFFAOYSA-N 304.350 -0.280 30 20 DBED CC#CC[C@@H](CO)NC(=O)CSCC(=O)N1CCOCC1 592924259 SIUDIIWGBXUHCA-LBPRGKRZSA-N 314.407 -0.531 30 20 DBED CN1C(=O)N[C@]2(CCC[C@@H]2CNc2cc(C#N)cnn2)C1=O 596149084 IPVVFBGKHVNHRC-YGRLFVJLSA-N 300.322 0.481 30 20 DBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1C[C@H](O)C1 598527914 LGHFNCJXCJTYMK-YUSALJHKSA-N 323.374 -0.135 30 20 DBED CN(CC(=O)N1CCCC1)S(=O)(=O)N1CCO[C@H](C#N)C1 619706489 UHOCZXLZBATINT-LLVKDONJSA-N 316.383 -0.990 30 20 DBED C=CCn1cc(C(=O)NCCS(=O)(=O)NC(C)C)nn1 648262033 XGCTXFKWOVBFBZ-UHFFFAOYSA-N 301.372 -0.478 30 20 DBED C=CCN(C(=O)c1ccn2nnnc2c1)[C@H]1CCS(=O)(=O)C1 666927588 SYMAQMXQAMICPI-NSHDSACASA-N 321.362 -0.060 30 20 DBED Cc1cc(C)n(-c2nnc(SCC(=O)NCC#N)n2N)n1 731158212 XAEHDMKWTZXGTN-UHFFFAOYSA-N 306.355 -0.474 30 20 DBED C=CCS(=O)(=O)CCNC(=O)[C@H]1CCC[C@@H](C(N)=O)C1 787255745 BPRVKXPBUOTZPE-MNOVXSKESA-N 302.396 -0.005 30 20 DBED C=C[C@H](O)C(=O)O[C@@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 814545415 OAVSUTOIEWWXIP-AEJSXWLSSA-N 305.352 -0.890 30 20 DBED C=C[C@@H](O)C(=O)O[C@@H](C)C(=O)N1CCN(C(=O)OCC)CC1 814550793 WGZBZVXMIFMIKM-WDEREUQCSA-N 314.338 -0.234 30 20 DBED N#C[C@H]1CNC[C@H]1NC(=O)CNC(=O)c1ccc(F)c(F)c1 834489889 QNXJHVQSVCSGBE-JOYOIKCWSA-N 308.288 -0.078 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N1CCOC[C@@H]1CC(=O)O 844793937 VLYKSCLFCRTXKZ-ZJUUUORDSA-N 305.356 -0.359 30 20 DBED C[C@@](O)(Cn1ccccc1=O)C(=O)N[C@@H]1CCCN(O)C1=O 848134302 RGZXCALWLHSHKM-QMTHXVAHSA-N 309.322 -0.904 30 20 DBED CC#CCS(=O)(=O)NC(=O)C1CCN(C(=O)OC)CC1 851000562 WGKYLNABIGQPGI-UHFFFAOYSA-N 302.352 -0.066 30 20 DBED N#Cc1cccnc1NCCNC(=O)CN1CCCS1(=O)=O 917157202 SOCZAKDQLOBYCF-UHFFFAOYSA-N 323.378 -0.483 30 20 DBED C=CCCCS(=O)(=O)NCCCn1c(=O)ccn(C)c1=O 918321591 CMVZKACMSMEVJO-UHFFFAOYSA-N 315.395 -0.177 30 20 DBED CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N1CCC[C@@H](C#N)C1 923245443 GJGZRLBYZDISJM-GARJFASQSA-N 301.368 -0.256 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2C[C@H]3C=C[C@H]2O3)CC1 932037034 LNZCAANMECNPLG-RBSFLKMASA-N 317.389 -0.386 30 20 DBED N#Cc1ccc(C(=O)NC[C@@H]2CCC[C@H]2NC(=O)C(N)=O)[nH]1 946291988 LFBHDOPWKMSKNQ-WCBMZHEXSA-N 303.322 -0.614 30 20 DBED N#CCN1CCOC2(CCN(C(=O)CCn3ccnn3)CC2)C1 949352238 QNBODGLUYOKLHX-UHFFFAOYSA-N 318.381 -0.115 30 20 DBED N#Cc1ccc(C(=O)NC[C@H]2CCN2C(=O)Cc2nc[nH]n2)[nH]1 949448470 DEAGNIKFISVWJC-SNVBAGLBSA-N 313.321 -0.422 30 20 DBED CC#CCN1CCOC2(CCN(C(=O)[C@@H]3CNC(=O)N3)CC2)C1 949454728 NVZLYFDIAGAKOR-ZDUSSCGKSA-N 320.393 -0.616 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2CCN2C(=O)[C@@H](C)C#N)nn1 950053057 OWGDVFLFSAGTQL-QWRGUYRKSA-N 302.338 -0.046 30 20 DBED O=C(NC[C@H]1CCN1C(=O)C#CC1CC1)c1ccc2nnnn2c1 951064238 YPVBUFOHEIVZBN-CYBMUJFWSA-N 324.344 -0.132 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2ccn(CCN(C)C)n2)C1 958076363 DVJSNQSIWVQUCV-UKRRQHHQSA-N 319.409 -0.900 30 20 DBED O=C(Cn1cnnn1)N[C@H]1[C@@H]2CN(CC#Cc3ccccc3)C[C@@H]21 958192970 LWWFTUIGOCSTJH-QLPKVWCKSA-N 322.372 -0.229 30 20 DBED CC#CCN1C[C@@H](O)[C@H](CNC(=O)c2ccc(=O)n(C)c2)C1 958202392 DXMRWOMXYCHIGJ-ZIAGYGMSSA-N 303.362 -0.569 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](NC(=O)CN2CCOCC2)[C@H](C)C1 958367952 GUAOKCBFNUZTSH-YNEHKIRRSA-N 308.382 -0.559 30 20 DBED Cn1nnc2c1C[C@H](C(=O)NC1[C@H]3CN(CC#N)C[C@H]13)CC2 961596598 FPJRMGRPVGJOTE-VWYCJHECSA-N 300.366 -0.510 30 20 DBED Cc1cncc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)c1 962042932 YQJXQVSEJOTDLP-UHTWSYAYSA-N 302.334 -0.149 30 20 DBED Cc1cc(C)n2nc(C(=O)NC3[C@@H]4CN(CC#N)C[C@@H]34)nc2n1 962457269 UFEGXZMFVOPZHQ-GHMZBOCLSA-N 311.349 -0.075 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@H](NC(=O)c2cc(=O)n(C)o2)C1 962529548 UZDFEPAGJJWSFK-ZJUUUORDSA-N 323.349 -0.508 30 20 DBED C=C[C@@](C)(CC)C(=O)N1CC2(C[C@@H](NC(=O)C(N)=O)CO2)C1 965793278 ZJOFCFJGYXFSGM-YGRLFVJLSA-N 309.366 -0.440 30 20 DBED C#CCNC1CC2(C1)CC(NC(=O)CN1C(=O)CNC1=O)C2 965903104 GZXHBWDKGFMRDG-UHFFFAOYSA-N 304.350 -0.812 30 20 DBED COCc1nocc1C(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1O 968937757 PNXNJHQKOLCVID-XRNSZHNASA-N 322.321 -0.718 30 20 DBED C[C@@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)Cn1cnnc1O)C2 969807054 YKXOSISGFKPXEM-DCAQKATOSA-N 318.337 -0.655 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)c3cn(C)nn3)[C@@H]2C1 972022994 JEWMDLJJJXXWDO-HOSYDEDBSA-N 302.338 -0.352 30 20 DBED CC#CCN1CCO[C@@]2(CCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)C1 972554608 QYWUXRLGXIPPKY-WWGRRREGSA-N 305.378 -0.566 30 20 DBED C=CCn1cc(C(=O)N[C@H]2C[C@H](NC(=O)c3ncc[nH]3)C2)nn1 973248420 HBKGATDRVJBPFN-MGCOHNPYSA-N 315.337 -0.122 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)[C@@]3(C)CCNC3=O)[C@H]2C1 977191926 VZPXWSMIMPOYRG-QABNJGPSSA-N 304.350 -0.755 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CN([C@H](C)C(N)=O)CC2(C)C)nn1 977276564 ZNDLZBUWIPFIJI-PWSUYJOCSA-N 320.397 -0.222 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@@H]2CN(C(C)=O)CCO2)C(C)(C)C1 977553135 NHMOPRNMAQQGDX-UONOGXRCSA-N 307.394 -0.307 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCC1[C@@H]2CN(CCCO)C[C@@H]12 978287104 YJEIDQLRRWELPS-JYJNAYRXSA-N 305.422 -0.240 30 20 DBED N#CCN1C[C@H]2[C@H](CNC(=O)[C@H]3CCc4nnnn4CC3)[C@H]2C1 978743305 QMRJILOUQDSKGG-ZDEQEGDKSA-N 315.381 -0.557 30 20 DBED N#CCN1CCCN(C(=O)Cn2nnc(-c3ccco3)n2)CC1 981520171 LBKHLDCAKJXXOR-UHFFFAOYSA-N 315.337 -0.009 30 20 DBED C=C(C)CN[C@H]1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)[C@H]1C 986332134 KILXTTVNKSGSDK-STQMWFEESA-N 320.393 -0.298 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](CN(C)C(=O)c2cnn(C)n2)C1 988284286 JNMYVRPQDLHACB-GHMZBOCLSA-N 304.354 -0.105 30 20 DBED Cc1nonc1C(=O)N[C@H]1CCN(C(=O)C#CC2CC2)C[C@H]1O 991570763 KMQPDCZJZOMNTK-NWDGAFQWSA-N 318.333 -0.517 30 20 DBED Cn1[nH]c(CN[C@H]2CN(C(=O)C#CC3CC3)CC2(C)C)nc1=O 995800500 YXESQFYGPUCVMP-LBPRGKRZSA-N 317.393 -0.152 30 20 DBED O=C1NC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C#CC2CC2)N1 999858312 JAXIOKMDFSMXOH-XQHKEYJVSA-N 316.361 -0.671 30 20 DBED CS(=O)(=O)CC(=O)N1CC(CNC(=O)c2ccc(C#N)[nH]2)C1 1001476715 BSTAWWAQMJPANF-UHFFFAOYSA-N 324.362 -0.881 30 20 DBED O=C(NCC1CN(C(=O)C#CC2CC2)C1)c1nc2ncccn2n1 1003803172 OAIQUSSQULMRHW-UHFFFAOYSA-N 324.344 -0.274 30 20 DBED C#Cc1cncc(C(=O)N2C[C@H]3CC[C@H]2CN3C(=O)C(N)=O)c1 1007494281 NLFTYUAUPOVHLR-QWHCGFSZSA-N 312.329 -0.636 30 20 DBED COc1c(O)nc(O)nc1C(=O)N[C@@H]1CCCN(CC#N)C1 1009192129 WSGWQVKZNLDJGG-MRVPVSSYSA-N 307.310 -0.386 30 20 DBED C[C@H]1C[C@@H](NC(=O)Cn2nccn2)CN1C(=O)C#CC1CC1 1012589289 WQSNXYNHEUXDLL-WCQYABFASA-N 301.350 -0.203 30 20 DBED C#Cc1ccc(C(=O)NC2[C@@H]3CN(C(=O)CC(N)=O)C[C@@H]23)cn1 1013512879 HFXHOVWCKOCIJA-VXGBXAGGSA-N 312.329 -0.875 30 20 DBED C=CCCn1cc(C(=O)N[C@H]2C[C@@H](C)N(C(=O)C(N)=O)C2)nn1 1013983166 MNQZJRVXPTUJHV-ZJUUUORDSA-N 320.353 -0.941 30 20 DBED C[C@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCCN1C(=O)C(N)=O 1014850123 DXTTZUITZVZKGD-WPRPVWTQSA-N 303.322 -0.519 30 20 DBED N#CCN1CCC2(CC1)C[C@H]2NC(=O)[C@H]1CCS(=O)(=O)C1 1016716533 VTYNTIGWHDUYKF-NWDGAFQWSA-N 311.407 -0.085 30 20 DBED CN1CC[C@H](N[C@H]2C[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)C1=O 1020091356 QJFVTOPCOGEZLM-GVXVVHGQSA-N 301.350 -0.033 30 20 DBED C[C@@H](NC(=O)c1nccnc1C(N)=O)[C@H]1CCCN(CC#N)C1 1025614033 FGWKTDARWNYSSW-MNOVXSKESA-N 316.365 -0.071 30 20 DBED N#CCN[C@@H]1CC[C@@H]2CN(C(=O)CN3CCCNC3=O)C[C@@H]21 1026303035 RHDYHTMNYQPVSU-FRRDWIJNSA-N 305.382 -0.248 30 20 DBED C#CCNC1CCC(NC(=O)[C@H]2CN(C(C)=O)CCO2)CC1 1026600443 WSRKIPQWNDTTNI-YMAMQOFZSA-N 307.394 -0.116 30 20 DBED C=CCN1CC[C@H](NC[C@@H]2CCN(C(=O)c3cnon3)C2)C1=O 1027130959 LACZOBSBJZZIQD-RYUDHWBXSA-N 319.365 -0.092 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NC1CN(Cc2nc(O)n[nH]2)C1 1030333136 ILTMHQOTOQZCQO-MNOVXSKESA-N 307.354 -0.208 30 20 DBED C=CCn1cc(C(=O)NC2CN(CC(=O)N3CCC3)C2)nn1 1031069899 FOZAYPRAKHNQJW-UHFFFAOYSA-N 304.354 -0.890 30 20 DBED O=C1NCCN1CCN1C[C@@H]2C[C@H]1CN2C(=O)C#CC1CC1 1032396875 IRYYMGUNILJLAM-KBPBESRZSA-N 302.378 -0.290 30 20 DBED C#CCN1C[C@@H]2C[C@H]1CN2C(=O)Cn1nnc(-c2ccco2)n1 1032493037 IVXYVAOOWAJJQP-RYUDHWBXSA-N 312.333 -0.149 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN([C@H](CC)C(N)=O)C1 1032827210 ZJMDJJXYMPERLA-MJBXVCDLSA-N 306.410 -0.462 30 20 DBED C=CCCn1cc(C(=O)N(C)[C@@H]2CCN([C@@H](C)C(N)=O)C2)nn1 1033484260 PYVIYQRGSCKVHP-NWDGAFQWSA-N 320.397 -0.126 30 20 DBED CC#CCN1CCO[C@@H](CNC(=O)c2cn(C)ccc2=O)C1 1035439981 JPPSIIULSWGADA-ZDUSSCGKSA-N 303.362 -0.161 30 20 DBED C#CCCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1coc(S(N)(=O)=O)c1 1037473065 VBPYRSJBMLMMBK-SUZMYJTESA-N 323.374 -0.247 30 20 DBED N#CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)c1cnc2c(c1)NC(=O)CO2 1037485146 ACYBXFNZVCZROF-CDMKHQONSA-N 313.317 -0.261 30 20 DBED C#CCCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1cn(C)c(=O)nc1O 1037716762 QWQYVXBPQJXNCL-ADEWGFFLSA-N 302.334 -0.688 30 20 DBED N#CCN1CC[C@@H]1CNC(=O)c1ccc(OCC(N)=O)cc1 1038485860 REGRGVXTXUYOIH-GFCCVEGCSA-N 302.334 -0.122 30 20 DBED C=CCCC(=O)N1CC[C@@](O)(CNC(=O)c2cc(=O)n(C)o2)C1 1039571551 LSALFDNGIOPIKC-OAHLLOKOSA-N 323.349 -0.362 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)Cc2cscn2)C1 1039749586 QSCBGVWRQYLWFJ-QMTHXVAHSA-N 322.390 -0.075 30 20 DBED C[C@H]1[C@@H](Nc2nccnc2C#N)CCN1C(=O)Cn1cnnn1 1040049146 FITDNNAAIDBAGL-UWVGGRQHSA-N 313.325 -0.564 30 20 DBED Cc1ocnc1C(=O)N1CC[C@@](O)(CNC(=O)[C@@H](C)C#N)C1 1040759621 BXFNPRSZPCYPSL-LKFCYVNXSA-N 306.322 -0.164 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCOC3)C2)nn1 1040944275 KFAUBBATCGCDJA-CYZMBNFOSA-N 317.349 -0.559 30 20 DBED Cc1cc(N2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)ncn1 1040956272 GUMAJXCJDYCLNZ-CHWSQXEVSA-N 312.333 -0.036 30 20 DBED N#Cc1nccc(N2C[C@@H](O)[C@H](NC(=O)c3n[nH]cc3F)C2)n1 1041326623 CWRIPZLYXIECPA-RKDXNWHRSA-N 317.284 -0.810 30 20 DBED CC#CCN1CC[C@]2(CCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C2)C1 1041718723 ZKORSKHSYFIBAS-LRDDRELGSA-N 318.377 -0.468 30 20 DBED CC#CCN1CC[C@@H]2CCN(C(=O)Cn3cnnc3O)C[C@H]21 1042020629 LAOZFCCXYXKFCP-CHWSQXEVSA-N 303.366 -0.070 30 20 DBED C#CCN1CC[C@H]2CCN(C(=O)c3cc(=O)n(C)cn3)C[C@@H]21 1042099416 BOHYAGCRZUOSLB-JSGCOSHPSA-N 300.362 -0.050 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)c2ccn(C)c2)C1 1042541422 PFXQMSPDVVQPIZ-UHFFFAOYSA-N 303.362 -0.012 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)[C@H](CC)N(C)C)C1 1042799506 ODHWLDLICPCRRQ-ZDUSSCGKSA-N 309.410 -0.180 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(O)CN(C(=O)c2conc2C)C1 1042811186 HCHQXUKEYASLCB-CQSZACIVSA-N 323.349 -0.387 30 20 DBED C=C(C)C[C@H](C)C(=O)N1CC(O)(CNC(=O)c2ncn(C)n2)C1 1042897373 HOHQJXVEKOENQZ-NSHDSACASA-N 321.381 -0.280 30 20 DBED C[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)C[C@H]1Nc1ncccc1C#N 1043474695 PVRWMMMGXKMRKV-ADEWGFFLSA-N 314.349 -0.107 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)C(C)C)C1 1043650256 UPIDQJBLOHNYJI-ZDUSSCGKSA-N 307.394 -0.571 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(O)(CNC(=O)c2c[nH]nc2C)C1 1044345781 LZAVKLRBWIOGTP-CQSZACIVSA-N 322.365 -0.652 30 20 DBED C=CCN[C@@H]1CCN(C(=O)CN2CCN(C)C(=O)C2)[C@@H](C)C1 1044659894 QYDDPJRANPAKMV-UONOGXRCSA-N 308.426 -0.085 30 20 DBED C[C@@H]1C[C@@H](NCC#N)CCN1C(=O)CCn1cc[nH]c(=O)c1=O 1044777174 QSLYHGBANZCASK-NEPJUHHUSA-N 319.365 -0.581 30 20 DBED C=CCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCC(=O)N2C)C1 1045463112 WYBGDDCNNCECLX-LBPRGKRZSA-N 323.393 -0.347 30 20 DBED Cc1cn(C)nc1C(=O)N1CC(O)(CNC(=O)[C@H](C)C#N)C1 1045541297 SOUDSKKRFOSMRM-SECBINFHSA-N 305.338 -0.809 30 20 DBED Cn1cnc(C(=O)NC[C@@H]2CC3(CCN(CC#N)CC3)CO2)n1 1045668019 XWGHBHWEHJFJBH-LBPRGKRZSA-N 318.381 -0.060 30 20 DBED C#CCN1CC[C@@H](N2CCN(C(=O)c3nccnc3N)CC2)C1 1046014384 WSEXDNGLTXQXSG-CYBMUJFWSA-N 314.393 -0.476 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1C[C@@H](CNC(=O)[C@@H]2COC(=O)N2)C1 1046370252 XTFNCARVKAZAQC-NDMJEZRESA-N 315.333 -0.210 30 20 DBED C#CCCN1CCC(F)(F)[C@@H](CNC(=O)c2nnn(C)n2)C1 1046962947 COAXYCUFDRSDFN-JTQLQIEISA-N 312.324 -0.080 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1047467012 AKNDCDKWBHYOEN-UVPYHEFZSA-N 322.405 -0.435 30 20 DBED C#Cc1ccc(C(=O)N(C)[C@H]2CN(CC(N)=O)C[C@@H]2O)cc1 1047480223 KLFPCFRPFKJYBO-KBPBESRZSA-N 301.346 -0.730 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C(N)=O)s2)C1 1047564340 PTHRAQCTJDVKLD-QWRGUYRKSA-N 321.402 -0.013 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2nc3ncccn3n2)C1 1047569182 SEIPHROMKRVLHT-RYUDHWBXSA-N 314.349 -0.735 30 20 DBED C=CCCC(=O)N(C)[C@H]1CN(C(=O)[C@H]2CCC(=O)N2)C[C@@H]1O 1048510775 VWTZUDCXNHEHSH-WOPDTQHZSA-N 309.366 -0.739 30 20 DBED C=CCOCC(=O)N(C)[C@H]1CN(C(=O)c2cn[nH]c2)C[C@@H]1O 1048555037 NVLYVCCBGGZCAX-RYUDHWBXSA-N 308.338 -0.744 30 20 DBED C#CCOCCC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2C[C@H]2C)C[C@@H]1O 1048847231 DVXNDBDCQMBQSN-MQYQWHSLSA-N 308.378 -0.288 30 20 DBED C=CCCCC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CCNC2=O)C[C@@H]1O 1049360717 IVNBQWZOZDZLNM-AGIUHOORSA-N 323.393 -0.491 30 20 DBED C=CCOCC(=O)N1CC[C@@H]([C@H](C)NC(=O)Cn2cnnn2)C1 1050296346 DEENHMCENWHGNW-NWDGAFQWSA-N 322.369 -0.771 30 20 DBED C=CCN1CCOC[C@@H]1CNC(=O)c1cc(C(N)=O)cn1C 1051003293 MCOXCLLAXVLNIL-LBPRGKRZSA-N 306.366 -0.259 30 20 DBED C=CCN1CC[C@H](N2CCC[C@@H](NC(=O)C(N)=O)CC2)C1=O 1052675106 WRXOVXTWPWXXFP-NEPJUHHUSA-N 308.382 -0.771 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)CCc1nc[nH]n1)CCO2 1053212019 RQLMBHOPFQVTMG-UHFFFAOYSA-N 303.366 -0.326 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)c3cnn(CC)n3)CO2)C1 1053795147 HRWQQQVZPIELPL-LBPRGKRZSA-N 303.366 -0.106 30 20 DBED C=CCCn1cc(C(=O)N2CCC[C@@](CO)(NC(C)=O)C2)nn1 1055674552 RQGOZUKLDQUBKT-OAHLLOKOSA-N 321.381 -0.043 30 20 DBED C[C@]1(C(=O)N2CCN(c3ccnc(C#N)n3)CC2)CNC(=O)C1 1055962986 PXYXAAQQVMYCLH-OAHLLOKOSA-N 314.349 -0.477 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)C1(NC(N)=O)CC1 1057171180 RDQCIPCXLKKGIH-UHFFFAOYSA-N 312.370 -0.909 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)c1ccncc1F 1057257987 YNSVLSINJKAWQC-JTQLQIEISA-N 308.313 -0.069 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)C1CCN(C)CC1 1057524678 MSNWDRJXBMRCTB-UHFFFAOYSA-N 323.437 -0.075 30 20 DBED C#CCOCCC(=O)NCCN(CCO)C(=O)[C@@H](C)OCC#C 1057585372 XNIGIRJOBLBXMY-CQSZACIVSA-N 324.377 -0.998 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)C12CCCN1CCC2 1058148606 ZBMDMDMRWSBHEU-CYBMUJFWSA-N 322.409 -0.288 30 20 DBED Cn1nnc(C(=O)N[C@H]2CCCN(c3ccnc(C#N)n3)C2)n1 1058218873 FSDUMXHRANOXLR-VIFPVBQESA-N 313.325 -0.729 30 20 DBED N#Cc1ccc(N2CC[C@@H](NC(=O)Cn3cnnc3O)C2)cn1 1058320978 PPXDCWANXXUEQJ-LLVKDONJSA-N 313.321 -0.355 30 20 DBED Cc1nnc(CC(=O)N[C@H]2CCN(c3cnc(C#N)cn3)C2)o1 1058347433 URZYMUSMIMYPAD-JTQLQIEISA-N 313.321 -0.023 30 20 DBED COc1ccc(C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N)o1 1058535617 JCNSXZJNKRGODC-JTQLQIEISA-N 309.322 -0.001 30 20 DBED Cc1ncc(CC(=O)NCCN(CCO)C(=O)[C@H](C)C#N)o1 1058656497 FAVVGYUGVHCTST-SNVBAGLBSA-N 308.338 -0.378 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)[C@H](C1CC1)N(C)C 1058659422 YUOLQAQCLDCKGJ-AAEUAGOBSA-N 310.398 -0.577 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)[C@@H](COC)OC 1058756843 MERRXIGGJGIROC-GFCCVEGCSA-N 302.371 -0.449 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)[C@H]1OCC[C@H]1C 1058866531 RLQVXKHPULFICM-OCCSQVGLSA-N 314.382 -0.449 30 20 DBED CCn1cc(CC(=O)N(CCO)CCNC(=O)[C@H](C)C#N)cn1 1058893594 ZEGYZCLGEVQACU-GFCCVEGCSA-N 321.381 -0.458 30 20 DBED O=C(C#CC1CC1)NCC[C@@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 1060063098 GZZLUJINWKKAMW-ZIAGYGMSSA-N 317.389 -0.109 30 20 DBED C=CCOCC(=O)NCC[C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 1060411374 RVSCZCKRUAGITP-UPJWGTAASA-N 323.393 -0.335 30 20 DBED C=CCOCC(=O)N1CCC2(CC1)CN(C(=O)CNC(N)=O)C2 1060893838 VFEZCQQCCIBHMV-UHFFFAOYSA-N 324.381 -0.692 30 20 DBED N#Cc1nc(=NC[C@@H]2CCN(C(=O)Cc3nc[nH]n3)C2)cc[nH]1 1060918209 IZQUOXRSEWDTQQ-JTQLQIEISA-N 312.337 -0.609 30 20 DBED CC(=O)NCC(=O)N1CCC2(CC1)CN(C(=O)C#CC1CC1)C2 1060999248 KVDYBSFWPIUTMO-UHFFFAOYSA-N 317.389 -0.013 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCOC[C@@H]1CNC(=O)COC 1061195154 GGKSVLDXUOXXSY-SMDDNHRTSA-N 300.355 -0.697 30 20 DBED C=CCCC(=O)N1CCOC[C@@H]1CNC(=O)CC(=O)NCC 1061517784 FUGMYOAADHLXAK-LBPRGKRZSA-N 311.382 -0.178 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)C12CCN(CC1)C2 1061847522 LPKWKZJXRHWTLC-OLZOCXBDSA-N 320.393 -0.415 30 20 DBED CCN(CC)CC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H](C)C#N 1061848886 WGNAZIIWANMNBB-STQMWFEESA-N 310.398 -0.169 30 20 DBED COC(=O)NCC(=O)NCC1(NC(=O)C#CC2CC2)CCC1 1062632458 ZRBSJTLFGJHYPH-UHFFFAOYSA-N 307.350 -0.089 30 20 DBED CCn1ncc(C(=O)N[C@H]2[C@H]3C[C@H]2N(c2cnc(C#N)cn2)C3)n1 1064246647 TWWDSFPQVOCSEL-BHYNMZESSA-N 324.348 -0.033 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)c2nnc(O)nc2O)CCC1 1064307144 ZAJAQLHPVFNFHK-SSDOTTSWSA-N 320.309 -0.789 30 20 DBED CCNC(=O)CC(=O)NC[C@@H]1CN(C(=O)[C@@H](C)C#N)CCO1 1065557740 UUKUEQAJBGQUMP-WDEREUQCSA-N 310.354 -0.984 30 20 DBED CCc1nc(C#N)cc(N2CC[C@H](NC(=O)C(N)=O)C[C@H]2C)n1 1067565109 HGIMRSOJRIVOOH-ZJUUUORDSA-N 316.365 -0.131 30 20 DBED C=CCC(CC=C)C(=O)N1CC2(CN(C(=O)C(N)=O)CCO2)C1 1068447392 FOSRAUJVBDXTMT-UHFFFAOYSA-N 321.377 -0.320 30 20 DBED C#CCCCCC(=O)N[C@H]1COC2(C1)CN(C(=O)C(N)=O)C2 1068822358 YHDWYWICCMTCBX-LLVKDONJSA-N 307.350 -0.849 30 20 DBED C[C@@H]1[C@H](Nc2cnc(C#N)cn2)CCN1C(=O)c1nnn(C)n1 1068927187 CXLQHIMSTDOAHO-PSASIEDQSA-N 313.325 -0.413 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1COC2(C1)CN(C(=O)CC(C)(C)O)C2 1069004306 VHKCMSGFBJNDSN-WDEREUQCSA-N 309.366 -0.207 30 20 DBED N#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)C2=COCCO2)C1 1069892542 CXMVOPFXTJYKHV-MNOVXSKESA-N 304.310 -0.969 30 20 DBED C=C(C)CN[C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@@H]1n1ccnn1 1070213162 GTJXXAYAJRZSEZ-NEPJUHHUSA-N 320.397 -0.293 30 20 DBED C=CCN[C@@H]1CN(C(=O)[C@H]2COC(=O)N2)C[C@H]1c1cn(C)cn1 1070488931 LVBUUJXFMXZKSL-CYZMBNFOSA-N 319.365 -0.402 30 20 DBED N#CCN1C[C@H]2C[C@@H]3CN(C(=O)CCc4nc[nH]n4)C[C@@]3(C1)O2 1070781644 KXBFFVMRWKHJDC-LALPHHSUSA-N 316.365 -0.437 30 20 DBED Cc1cc(C(=O)N2CCC(=O)NCCN(CC#N)CC2)n[nH]1 1070944673 IFKSILXDIOEZNI-UHFFFAOYSA-N 304.354 -0.494 30 20 DBED C[C@@H]1CN(C(=O)c2cnnn2C)C[C@@H]1NC(=O)CSCC#N 1072007870 XVKPJKVXALJDDW-ZJUUUORDSA-N 322.394 -0.351 30 20 DBED C=CCOCC(=O)N1CC[C@H](NC(=O)c2cnn[nH]2)[C@@H](C)C1 1074050242 YDDWIIBYQQJDAB-QWRGUYRKSA-N 307.354 -0.026 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)c3cccn(C)c3=O)C[C@@H]21 1074382396 JWMGMATWACMNJO-GJZGRUSLSA-N 315.373 -0.066 30 20 DBED C#CCCCC(=O)N1CCC(O)(CNC(=O)CC(=O)NC)CC1 1074565417 GYPYIAUATWCUMT-UHFFFAOYSA-N 323.393 -0.604 30 20 DBED N#CCN[C@@H]1CCO[C@H](C2CCN(C(=O)CC(N)=O)CC2)C1 1075388951 VJPHDFZXZUEKQY-OLZOCXBDSA-N 308.382 -0.239 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)[C@H](C)OCC=C 1076219952 JFVSAECZGUSHQV-STQMWFEESA-N 323.393 -0.272 30 20 DBED N#CCN1C[C@@H]2CCN(C(=O)c3cn([C@H]4CCOC4)nn3)[C@@H]2C1 1076440951 JGQVRZCPWNXMGQ-SGMGOOAPSA-N 316.365 -0.091 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)Cn2ccc(C)cc2=O)C1 1077759482 RWMFIAWYYDXFMY-ZIAGYGMSSA-N 303.362 -0.659 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)C(=O)N2CCC[C@H](C)C2)C1 1077788603 GEQWEFCPLJUEKJ-BFHYXJOUSA-N 309.410 -0.018 30 20 DBED C=CCOCC(=O)N[C@@H](C)CCNC(=O)[C@@H]1CCC(=O)N1C 1077876791 ZPYVSOFIOPGJNQ-RYUDHWBXSA-N 311.382 -0.179 30 20 DBED Cn1cnnc1CNC[C@@H]1CN(C(=O)C#CC2CC2)CCCO1 1078397769 FESQSRHIHZKTLL-CQSZACIVSA-N 317.393 -0.064 30 20 DBED C#CCN[C@H]1C[C@H]2CC[C@H]1N(C(=O)c1ccc(=O)n(C)n1)C2 1079102058 DELAKBGMGDRDPS-KWCYVHTRSA-N 300.362 -0.004 30 20 DBED CCN(C(=O)Cn1cnnc1O)C1CN(C(=O)C#CC2CC2)C1 1079648720 HAYQVWRQUYIJKD-UHFFFAOYSA-N 317.349 -0.544 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)COC(C)C)C[C@H]1O 1081344320 ONEGAWIGHHAGIJ-CHWSQXEVSA-N 314.382 -0.451 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(C(=O)CN2CCCC2)C[C@H]1O 1081474553 RQZRWDONTFFRHA-LSDHHAIUSA-N 319.405 -0.569 30 20 DBED C=CCCn1cc(C(=O)N[C@@H]2CN(CCOC)C[C@H]2OC)nn1 1082219074 STPDYAPMWPFJHG-TZMCWYRMSA-N 323.397 -0.070 30 20 DBED C=CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CN(C(C)=O)CCO1 1083262529 ZGGSHLZUWZDXHZ-ZNMIVQPWSA-N 323.393 -0.669 30 20 DBED C=CCCn1cc(C(=O)N[C@@H]2CN([C@H](C)COC)C[C@@H]2O)nn1 1083849286 XEXYATUEWISJTG-BZPMIXESSA-N 323.397 -0.336 30 20 DBED N#CCN1CC[C@@H]2CN(C(=O)[C@@H]3CCc4nncn4C3)[C@@H]2C1 1084848996 IWHTWVNMNRSSFV-JHJVBQTASA-N 300.366 -0.103 30 20 DBED CC#CCN1CC[C@H](NC(=O)[C@@H]2CCN(C)S2(=O)=O)[C@H]1C 1088913185 KJBYQQPIIVWCKY-AGIUHOORSA-N 313.423 -0.377 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)c1nnn(C)n1)N=c1cc[nH]cc1C#N 1089447063 CWFOTGGOEIQJPM-VHSXEESVSA-N 314.353 -0.092 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2cnc3n2CCOC3)[C@@H](O)C1 1090337054 NZRIJPQUXODDHT-OCCSQVGLSA-N 318.377 -0.398 30 20 DBED C=CCN1CC[C@H](NC(=O)c2cc(=O)c(OC)co2)[C@H](O)C1 1090432004 HECNRZISTPXHDI-CMPLNLGQSA-N 308.334 -0.001 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CCN(CC(N)=O)C[C@@H]2O)cc1 1090484036 VUFVOZPPQXHVHF-KGLIPLIRSA-N 301.346 -0.682 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1O 1090490720 WKZHIFCCVHVGFE-CYZMBNFOSA-N 315.333 -0.948 30 20 DBED C=CCN1CC[C@H](NC(=O)c2cnn3c(=O)cc[nH]c23)[C@@H](O)C1 1090630144 LLQLGXIZPKVLQY-RYUDHWBXSA-N 317.349 -0.626 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(c2ccc(C)nn2)C[C@@H]1O 1091149684 DNQBCBVXHRSNHG-OLZOCXBDSA-N 304.350 -0.509 30 20 DBED C[C@@H]1[C@@H](NC(=O)C2(C(N)=O)CC2)CCN1c1ccc(C#N)nn1 1092045257 OSMWLVSHFRSBFJ-KOLCDFICSA-N 314.349 -0.303 30 20 DBED Cc1cc(C#N)nc(N2CCN(C(=O)[C@@H](C)CC(N)=O)CC2)n1 1093194620 UVPCKWTUUGXZLC-JTQLQIEISA-N 316.365 -0.183 30 20 DBED COCCOCC(=O)N[C@H]1[C@@H]2CN(c3ccc(C#N)nn3)C[C@@H]21 1093254101 KIBGRQLBXYLYMK-JYAVWHMHSA-N 317.349 -0.438 30 20 DBED C#CCN[C@@H]1C[C@]2(C[C@H]1O)CN(C(=O)CC(N)=O)[C@@H]2C(C)C 1093437739 WKIXGVVZLIROOP-BHTHQVBYSA-N 307.394 -0.539 30 20 DBED N#Cc1ccc(NCCNC(=O)C2CCN(C(N)=O)CC2)nn1 1093629548 XVUUWWCOZZJTCJ-UHFFFAOYSA-N 317.353 -0.333 30 20 DBED C#CCN1CC(n2cc(CNC(=O)[C@@H]3CCCCO3)nn2)C1 1094283882 MNBJQGPTEDZONE-AWEZNQCLSA-N 303.366 -0.047 30 20 DBED C#CCN1CC(n2cc(CNC(=O)c3c(C)ncn3C)nn2)C1 1094298507 OBSOBIVOHHDKPU-UHFFFAOYSA-N 313.365 -0.260 30 20 DBED Cc1nc[nH]c1CC(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1 1094811290 MCXCMJYYZMKFFM-LLVKDONJSA-N 316.365 -0.815 30 20 DBED CC(=O)N[C@@H](C)C(=O)N1CC[C@H](N(C)c2ccc(C#N)nn2)C1 1095090082 JEWUXCYTDYUQDW-GWCFXTLKSA-N 316.365 -0.090 30 20 DBED N#Cc1ccc(N2CCC[C@@H](NC(=O)CNC(N)=O)C2)cn1 1096136140 FQQBZTHMVPYKTI-LLVKDONJSA-N 302.338 -0.293 30 20 DBED CC[C@@H](NC(C)=O)C(=O)N[C@@H]1CCN(c2cnc(C#N)cn2)C1 1096484981 DMEADZVXSRWOEB-DGCLKSJQSA-N 316.365 -0.042 30 20 DBED CC#CCN(CCO)C1CCN(C(=O)CCNC(N)=O)CC1 1098556078 FETZYQVPQRTBEU-UHFFFAOYSA-N 310.398 -0.647 30 20 DBED C#CCN[C@@H]1CN(C(=O)CN2CCOCC2)C[C@H]1C(F)(F)F 1099238462 OYRVEOJSGRLCFN-VXGBXAGGSA-N 319.327 -0.069 30 20 DBED C[C@H](CCNC(=O)[C@@H]1CCC(=O)N1)Nc1cnc(C#N)cn1 1099362163 RZYJLHWESBOCLT-KOLCDFICSA-N 302.338 -0.066 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)c2ccc(C)o2)[C@H](O)C1 1099641780 HUCKWHPOYWSXHR-QWHCGFSZSA-N 319.361 -0.498 30 20 DBED C#CCCCC(=O)N[C@H]1CCN(Cc2nncn2C)C[C@@H]1O 1099808025 ZYKFYTIQHDGIDL-STQMWFEESA-N 305.382 -0.330 30 20 DBED C#CCN1CC[C@@H](NC(=O)COCc2cc(C)on2)[C@@H](O)C1 1099889709 FFDZLJQEIJVBTG-KGLIPLIRSA-N 307.350 -0.316 30 20 DBED C=C(Cl)CN1CC[C@@H](NC(=O)C(=O)NCC2CC2)[C@@H](O)C1 1100056268 RGHRYEQBUYNENM-NEPJUHHUSA-N 315.801 -0.184 30 20 DBED N#CCNC1CC(CNC(=O)C2(n3cnnn3)CCOCC2)C1 1100747518 QCSKSPWFADMPGZ-UHFFFAOYSA-N 319.369 -0.813 30 20 DBED CN(CCNc1ccc(C#N)nc1)C(=O)Cn1ncn(C)c1=O 1101850098 IASPXUFCAXXQGS-UHFFFAOYSA-N 315.337 -0.581 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)c1cn2cccnc2n1 1102041093 NAYRGGTZVJTNBM-UHFFFAOYSA-N 322.332 -0.003 30 20 DBED COC(=O)NCC(=O)NC[C@H](C)CNc1cnc(C#N)cn1 1103857265 WSCPSZDDHSKYJZ-SECBINFHSA-N 306.326 -0.132 30 20 DBED CC(=O)NCC(=O)NC[C@@H]1CN(c2ccncc2C#N)CCO1 1104283032 DSESMIMTTJARFD-CYBMUJFWSA-N 317.349 -0.589 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(n2cc(CNC[C@@H](C)O)nn2)C1 1105227779 YRIXDSRDHBXJDL-ABAIWWIYSA-N 323.397 -0.541 30 20 DBED C#CCNCc1cn(C2CN(C(=O)[C@H]3CCCC(=O)N3)C2)nn1 1105265996 LQGAPRRTXBPUOM-CYBMUJFWSA-N 316.365 -0.947 30 20 DBED C[C@H](C#N)C(=O)N(C)CCN(C)c1ncnc2c1nnn2C 1105346529 CHXGJNQCTOYHEB-SECBINFHSA-N 302.342 -0.187 30 20 DBED CN(C)C(=O)CC(=O)N(C)CCN(C)c1ccc(C#N)nn1 1105575764 SJIYOPJDEJDVFT-UHFFFAOYSA-N 304.354 -0.279 30 20 DBED C#CCN[C@@H]1C[C@@]2(C[C@H]1O)CN(C(=O)CC(=O)NC)[C@H]2C(C)C 1105622805 IGEMJFQSWDZCFL-UTJXIGIESA-N 321.421 -0.278 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H](O)CNC(=O)C[C@H]1CCOC1 1105760875 ZBOGZDZCJMBZDD-DGCLKSJQSA-N 304.350 -0.309 30 20 DBED CC(C)C#CC(=O)NC[C@@H](O)CNc1ncnc2c1cnn2C 1105811514 CKKBGJZKUXCKOC-LLVKDONJSA-N 316.365 -0.088 30 20 DBED Cc1nonc1CC(=O)NC[C@@H](O)CNc1ccc(C#N)nn1 1105948085 SIKBISXBZXTBRZ-JTQLQIEISA-N 317.309 -0.829 30 20 DBED COCCO[C@@H](C)C(=O)NC[C@H](O)CNc1cncc(C#N)n1 1105964179 YHRKTDXNIQMNKW-CMPLNLGQSA-N 323.353 -0.711 30 20 DBED COCCO[C@H](C)C(=O)NC[C@@H](O)CNc1cncc(C#N)n1 1105964193 YHRKTDXNIQMNKW-PWSUYJOCSA-N 323.353 -0.711 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)[C@H](C)NC(N)=O)C[C@H]1C 1106055554 XDTXXGPYJWSCJA-FRRDWIJNSA-N 310.398 -0.623 30 20 DBED Cc1nc(NC[C@H](O)CNC(=O)C2(C(N)=O)CC2)ccc1C#N 1106097957 NNCACZJXVYFUKI-NSHDSACASA-N 317.349 -0.584 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1CNCC(=O)NC(N)=O 1106101482 ZRLRKVXUYDWESU-ZYHUDNBSSA-N 306.366 -0.721 30 20 DBED CCN(CCNc1nc(C)cc(C#N)n1)C(=O)[C@H](C)NC(N)=O 1106736077 NBQQCUWDOBQZMR-JTQLQIEISA-N 319.369 -0.026 30 20 DBED C=CCNC[C@@H]1CN(C(=O)c2cc(=O)n3[nH]cnc3n2)C[C@H]1C 1106873295 XBQZSUBHAHZYDT-GHMZBOCLSA-N 316.365 -0.099 30 20 DBED CCN(CCN=c1cc[nH]cc1C#N)C(=O)[C@@H]1CN(C)C(=O)N1 1106907142 WMZXYWBDSITRBX-ZDUSSCGKSA-N 316.365 -0.341 30 20 DBED COC(=O)c1nc(=NC/C=C/CNC(=O)[C@H](C)C#N)cc[nH]1 1107080031 GVQXDQODATZJLB-HMDXOVGESA-N 303.322 -0.071 30 20 DBED Cc1cc(C#N)nc(NC/C=C/CNC(=O)[C@H](C)NC(N)=O)n1 1107168304 DHQPLHQHHCPBSY-FSIBCCDJSA-N 317.353 -0.202 30 20 DBED N#Cc1nccnc1NC/C=C/CNC(=O)C(=O)NCC(F)F 1107402869 PKBJRWLHUNHDIV-OWOJBTEDSA-N 324.291 -0.186 30 20 DBED COCC#CCN1CCO[C@@](C)(CNC(=O)[C@H](O)C(C)C)C1 1107916816 OJLRPVQUWWBXFW-ZBFHGGJFSA-N 312.410 -0.140 30 20 DBED C=CCOCCN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CNC(N)=O)C2 1108615879 FEDKUEYJXWNKLT-AVGNSLFASA-N 310.398 -0.174 30 20 DBED C[C@@H](CNc1ncccc1C#N)NC(=O)[C@@H]1CN(C)C(=O)N1 1108635274 JFCRKQJZDIHCIU-ONGXEEELSA-N 302.338 -0.107 30 20 DBED C[C@@H](CN(C)c1nccnc1C#N)NC(=O)[C@]1(C)CCNC1=O 1109240942 WYOYPFMEKZRFJW-ZUZCIYMTSA-N 316.365 -0.185 30 20 DBED CN(CCCN=c1cc[nH]cc1C#N)C(=O)[C@H]1CCNC1=O 1109578582 IHPRHJXEYIADDX-LBPRGKRZSA-N 301.350 -0.228 30 20 DBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cnccn1 1110245066 BHVYSUJGDYEAKB-WZRBSPASSA-N 314.349 -0.549 30 20 DBED C[C@@H](C#N)C(=O)NC[C@]1(O)CCN(c2ccnc(C#N)n2)C1 1111042210 QMOGXWRMHZADRD-IINYFYTJSA-N 300.322 -0.435 30 20 DBED CC[C@H](OC)C(=O)N(C)[C@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1111179209 XQFBKXMUTMYHOG-SRVKXCTJSA-N 319.365 -0.219 30 20 DBED CC(C)(O)CC(=O)N(CCO)CCNc1nccnc1C#N 1111458928 NSLZBJWSROBGGB-UHFFFAOYSA-N 307.354 -0.258 30 20 DBED Cc1nc(N2CCOC[C@@H]2CNC(=O)C(N)=O)ccc1C#N 1111715852 RTBNMMWGCBBPLJ-NSHDSACASA-N 303.322 -0.932 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CCN(c2cnc(C#N)cn2)C[C@@H]1C 1112388443 PFHCLOGLTOMOSJ-GXFFZTMASA-N 316.365 -0.185 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)c2cc(C)[nH]n2)CC1 1112650886 PPGQYDQHMWDQHX-GFCCVEGCSA-N 303.366 -0.386 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(c2cnc(F)cn2)C[C@@H]1O 1112702322 QFKKESLJECCLBP-MNOVXSKESA-N 310.329 -0.268 30 20 DBED C#CCCCC(=O)N1CCN(CC(=O)NC(=O)NCC)CC1 1112802938 IRQFSAVZMMIPJP-UHFFFAOYSA-N 308.382 -0.220 30 20 DBED CCN1C[C@H](C(=O)N2CCN(CC#CCOC)CC2)CC1=O 1112908668 CRMCINCDJBKWTO-CQSZACIVSA-N 307.394 -0.351 30 20 DBED C[C@H](N=c1cc[nH]cc1C#N)[C@H](C)NC(=O)Cn1ncnn1 1113194355 QOCIWVCFJIFYHH-UWVGGRQHSA-N 300.326 -0.633 30 20 DBED CC#CCCCC(=O)N1CCN([C@H](C)C(=O)NC(N)=O)CC1 1113234968 NVEIGOMFOPMDCO-GFCCVEGCSA-N 308.382 -0.092 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)C23CCN(CC2)C3)CC1 1113543740 BBMADPRUWONPBH-AWEZNQCLSA-N 318.421 -0.636 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)CN(C)CCC)CC1 1113569904 AUAMISUNLLEYSU-AWEZNQCLSA-N 308.426 -0.390 30 20 DBED C[C@@H](CNC(=O)CCn1ccnn1)N(C)c1ccnc(C#N)n1 1113579721 TVMDLFKLABNEJL-NSHDSACASA-N 314.353 -0.029 30 20 DBED C[C@@H](CNC(=O)c1cnnn1C)N(C)c1ccnc(C#N)n1 1113589245 QJVYHCIPQBUWHL-VIFPVBQESA-N 300.326 -0.269 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCN(C)C1=O)N(C)c1nccnc1C#N 1113826726 LDPKUEQGBSWIKC-WDEREUQCSA-N 316.365 -0.233 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)[C@H](C)OCC(C)C)[C@@H]2C1 1113965444 NVUNMSHXCNQXET-BFHYXJOUSA-N 321.421 -0.157 30 20 DBED C=CCOCCCC(=O)NC1[C@@H]2CN(CC(=O)NC(N)=O)C[C@@H]12 1114111678 NACAJQBHFHXDRI-GHMZBOCLSA-N 324.381 -0.790 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1[C@@H]2CN(CCC[C@@H](C)O)C[C@@H]21 1114159779 LRQKTCHVVAPJPU-FOCJUVANSA-N 307.394 -0.667 30 20 DBED CC#CCN1C[C@H]2[C@H](NC(=O)[C@H](C)NS(=O)(=O)CC)[C@H]2C1 1114311142 ILJLYRIIRKMCKG-WUHRBBMRSA-N 313.423 -0.616 30 20 DBED C#CCC1(C(=O)N[C@H]2[C@@H]3CN([C@@H](C)C(N)=O)C[C@@H]32)CCOCC1 1114394341 AGECMDFEEDPMJF-IGQOVBAYSA-N 319.405 -0.273 30 20 DBED C=CCOCCN1C[C@H]2[C@H](NC(=O)c3c[nH]c(=O)cn3)[C@H]2C1 1114739848 WOXQTLLZWBMEMC-YABSGUDNSA-N 304.350 -0.368 30 20 DBED CNC(=O)CC(=O)N1CCC(N(C)c2ccnc(C#N)n2)CC1 1115137295 WTCAQPHEUOPZBY-UHFFFAOYSA-N 316.365 -0.088 30 20 DBED N#CCNC(=O)CN1C[C@H]2C(NC(=O)Cc3ccc[nH]3)[C@@H]2C1 1115269663 KSTWQGQAPQDZDD-VXGBXAGGSA-N 301.350 -0.757 30 20 DBED C=CCOCCN1C[C@H]2C(NC(=O)[C@H](C)N3CCOCC3)[C@@H]2C1 1115357250 YRKMUMLHTBHSBK-RRFJBIMHSA-N 323.437 -0.044 30 20 DBED C#CCSCCNC(=O)C(=O)N1CC(=O)N[C@H]2CCCC[C@@H]21 1117462496 YMYYULSKHVKYCL-RYUDHWBXSA-N 323.418 -0.261 30 20 DBED COCC[C@@H](NC(=O)C(=O)Nc1ccc(C#N)c(F)c1)C(N)=O 1117675546 NQDXBJKCFQZESD-LLVKDONJSA-N 322.296 -0.358 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@@H]1CC12CCC2 1119161361 FGYBSCYOQUVQOV-SNVBAGLBSA-N 300.380 -0.238 30 20 DBED CC(=O)N[C@@H](C)C(=O)NC[C@@H](CO)N=c1cc(C)[nH]cc1C#N 1121177012 CQZVKIZWLKLFQA-GWCFXTLKSA-N 319.365 -0.903 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H](CO)CNC(=O)C[C@H]1COC(=O)C1 1121303297 NFDGMWZQSPSTSQ-ZYHUDNBSSA-N 318.333 -0.783 30 20 DBED C=CCO[C@@H](C)C(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1 1121748528 BZEKERFSSJPXPL-WDEREUQCSA-N 305.338 -0.750 30 20 DBED CN(C)CCOCC(=O)NC[C@H](CO)Nc1ccc(C#N)cn1 1121807339 SIYDTPCSMIIRAL-CYBMUJFWSA-N 321.381 -0.580 30 20 DBED CCN(C)CCC(=O)NC[C@@H](CO)Nc1nc(C)cc(C#N)n1 1122029570 VPSGSKWFZCTQSH-ZDUSSCGKSA-N 320.397 -0.113 30 20 DBED C=CCCCC(=O)NC[C@@H](CO)Nc1ccc2nnnn2n1 1122508166 JYEDZBHHGMNSJB-JTQLQIEISA-N 305.342 -0.235 30 20 DBED CN(C[C@H](O)CNc1cncc(C#N)n1)C(=O)c1cc[nH]n1 1124048073 YGPIZABFUDASQY-SNVBAGLBSA-N 301.310 -0.384 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]cc1C#N)C(=O)[C@H]1CCOC1 1124140734 MMGKCMBCHDHRBC-AAEUAGOBSA-N 304.350 -0.357 30 20 DBED CN(C[C@H](O)CNc1ccc(C#N)nn1)C(=O)Cn1ccnc1 1124398991 IKCOJDJFXAGKGE-GFCCVEGCSA-N 315.337 -0.524 30 20 DBED CN(C[C@@H](O)CNc1ccc(C#N)nn1)C(=O)Cc1ncc[nH]1 1124483527 MDRPIJBOSCFFBS-NSHDSACASA-N 315.337 -0.455 30 20 DBED C#CCNC(=O)[C@H](C)N1CCn2ncc(CNC(C)=O)c2C1 1128132822 LJZIPPBOYNKNPV-NSHDSACASA-N 303.366 -0.527 30 20 DBED C=CCN1CCn2ncc(CNC(=O)C[C@@H](C)NC(N)=O)c2C1 1128351067 RYTSDYPMDXAITJ-LLVKDONJSA-N 320.397 -0.052 30 20 DBED CCc1noc(CC)c1CC(=O)NCCNCC(=O)NCC#N 1129652746 SCVVDPVCIIJMNT-UHFFFAOYSA-N 321.381 -0.313 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1cc(C(F)F)ncn1 1130231718 DKHQNLVKNSXFTO-UHFFFAOYSA-N 312.280 -0.627 30 20 DBED COC(=O)NCC(=O)N1C[C@@H](NCC#N)[C@H](c2cn(C)cn2)C1 1130509801 QCFSVLGDQQCBFU-CMPLNLGQSA-N 320.353 -0.816 30 20 DBED C#CCNC(=O)CNCCNC(=O)C[C@H](C)c1cnn(C)c1 1131732245 VLIGNXCAMGBFTD-LBPRGKRZSA-N 305.382 -0.631 30 20 DBED C[C@@H]1CC[C@@H](NC(=O)Cc2cnoc2)CN1CC(=O)NCC#N 1132235937 VPRQYSVYYXTYLP-DGCLKSJQSA-N 319.365 -0.174 30 20 DBED C=CCn1cc(C(=O)N2CC[C@@H](C)[C@@H](CNCC(N)=O)C2)nn1 1133153957 AMNKPTUIQJBXNR-NEPJUHHUSA-N 320.397 -0.363 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)CN2CC[C@H](C)C2)C1=O 1133845464 GNOKGJFKYBFBKT-KBPBESRZSA-N 308.426 -0.179 30 20 DBED C=CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)CCn1cnnn1 1135759000 FOTKHZXDSLXZOU-RYUDHWBXSA-N 323.401 -0.762 30 20 DBED C#CCCN[C@@H](C)C[C@@H](C)NC(=O)c1cc(=O)n2[nH]cnc2n1 1135923132 HQUNJNPEJLMFNI-WDEREUQCSA-N 316.365 -0.073 30 20 DBED COCC#CCN1CCC2(C1)CN(C(=O)[C@@H]1C[C@H]1C(=O)OC)C2 1147173286 KMESPIUWZRQTLX-ZIAGYGMSSA-N 320.389 -0.020 30 20 DBED CCCCOCC(=O)N1CC2(CCN(CC(=O)NCC#N)C2)C1 1147281747 RMIRWJWKDRRPDI-UHFFFAOYSA-N 322.409 -0.023 30 20 DBED C[C@@H]1CO[C@H](C(=O)N2CC3(CCN(CC(=O)NCC#N)C3)C2)C1 1147919877 CQDNVAYKFJDKGB-STQMWFEESA-N 320.393 -0.415 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)C(=O)Nc1cc(C)on1 1150978398 RJWHHTUBOZXZGI-JTQLQIEISA-N 323.353 -0.682 30 20 DBED O=C(NCCNCC#Cc1ccccc1)[C@H]1CCS(=O)(=O)N1 1151301824 WTRJFAJAQGHSMV-CQSZACIVSA-N 321.402 -0.564 30 20 DBED C=CCO[C@H](C)C(=O)NCCNCC(=O)Nc1cc(C)nn1C 1153160449 RGXTWNQAHBIWKX-GFCCVEGCSA-N 323.397 -0.036 30 20 DBED C#CCO[C@@H](C)C(=O)NCCCNCCNC(=O)NC(C)C 1157874915 YUPSKFGSJLGZOA-ZDUSSCGKSA-N 312.414 -0.172 30 20 DBED COCC#CCNCCCNC(=O)[C@H]1CCc2nnc(O)n2C1 1161263373 XJYLHCJHOSIHNR-LBPRGKRZSA-N 321.381 -0.708 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)c1cnn(CCF)c1 1161576330 XFMDVCHCCJWZDN-GFCCVEGCSA-N 323.372 -0.300 30 20 DBED Cn1ncnc1COCC(=O)NCCC1=CCN(CC#N)CC1 1161604554 JYVABODKCKRPKV-UHFFFAOYSA-N 318.381 -0.006 30 20 DBED COCC1(CNC(=O)[C@]2(C)CCNC2=O)CCN(CC#N)CC1 1162482089 IYUVNOAPIBESKH-OAHLLOKOSA-N 322.409 -0.119 30 20 DBED C#CCNCC1(CCNC(=O)[C@H](CCC)S(N)(=O)=O)CC1 1166380866 OBEJRMDREKQNTE-LBPRGKRZSA-N 315.439 -0.047 30 20 DBED CCc1cc(C(=O)NCCCNCC(=O)NCC#N)n(C)n1 1169119642 UQAYVKIGGASYKS-UHFFFAOYSA-N 306.370 -0.668 30 20 DBED C=CCNC(=O)CNCCCNC(=O)CCc1cncn1C 1175002501 ILFNECSZLQLNPP-UHFFFAOYSA-N 307.398 -0.249 30 20 DBED N#CCN1CCO[C@@H]2CCN(C(=O)CCCCC(N)=O)C[C@H]21 1177133263 ZHQJJJADFCADLQ-CHWSQXEVSA-N 308.382 -0.143 30 20 DBED Cc1cccc(C(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)n1 1181039783 RNZYCGDMDGDGMR-GFCCVEGCSA-N 301.350 -0.166 30 20 DBED CC#CCNC[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)C[C@H]1C 1185639288 CHQCOFTZZRTFLZ-CHWSQXEVSA-N 320.393 -0.364 30 20 DBED C=CCCCN[C@@H]1CCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)C1 1186048459 HUVWNFOYPMOJRG-LLVKDONJSA-N 322.365 -0.436 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2ccncc2)C1 1188626124 NKRAHCOLOZUZTP-AWEZNQCLSA-N 300.362 -0.023 30 20 DBED COCC#CCN(C)[C@@H]1CCN(C(=O)[C@@H]2CN(C)CCO2)C1 1189516621 JNJXXUSVWSKHSG-CABCVRRESA-N 309.410 -0.501 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2cn(C)cn2)C1 1189642204 MXWYWCALJJODGJ-GFCCVEGCSA-N 303.366 -0.684 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 1190901384 XYYJGQHDVQBYGC-ZIAGYGMSSA-N 308.426 -0.391 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(Cc2nc(N(C)C)no2)C[C@H]1O 1192504209 XYSXJOXICXDNSN-VXGBXAGGSA-N 321.381 -0.400 30 20 DBED COCC#CCN(C)[C@H]1CCN(C(=O)CCn2cnnn2)C1 1193026185 IQHHKZSHNNKGHO-ZDUSSCGKSA-N 306.370 -0.754 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1 1193960853 FHFLPSVUVWTFKT-KFWWJZLASA-N 313.442 -0.064 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)Cn2ccnc2C)C1 1194026540 FQTLGERLYQDTEX-AWEZNQCLSA-N 317.393 -0.526 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H](CCC)OC)C1 1195237986 RBTQYLYMCRUISA-JHJVBQTASA-N 313.398 -0.735 30 20 DBED C=CCN1CC[C@@H](N2CCCN(C(=O)CC(=O)NC)CC2)C1=O 1195632615 FIINPCRICHPSPW-CYBMUJFWSA-N 322.409 -0.556 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCCN(CCN2CCNC2=O)CC1 1195682437 QOVLBTPSAKSHCN-INIZCTEOSA-N 324.425 -0.127 30 20 DBED C#CCNC(=O)[C@H](C)N1CCCN(C(=O)c2cn(C)nn2)CC1 1195710567 WWGCGSWEDWOGPG-LBPRGKRZSA-N 318.381 -0.899 30 20 DBED COCC#CCNC[C@H]1CN(C(=O)c2cn[nH]c2)CCCO1 1199940193 KJETUPZBRRPYDU-AWEZNQCLSA-N 306.366 -0.120 30 20 DBED CC(C)C#CC(=O)N1CCCO[C@@H](CNCc2nnnn2C)C1 1200460389 BFZHRWOSPGQGLX-ZDUSSCGKSA-N 320.397 -0.423 30 20 DBED CC[C@H](C(=O)N1CCC(NCC(=O)NCC#N)CC1)N(C)C 1201240799 YXUHQHTXVBQTEJ-CYBMUJFWSA-N 309.414 -0.453 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)CCn2cnnn2)CCCO1 1201710418 BKSFLSNZTGJSCT-CYBMUJFWSA-N 306.370 -0.706 30 20 DBED COCC#CCN[C@H]1C[C@H](NC(=O)CNC(C)=O)C12CCC2 1202351085 BPLVLKSUNKYERY-KBPBESRZSA-N 307.394 -0.211 30 20 DBED C#CCCNC1CCN(C(=O)C2CC3(C2)NC(=O)NC3=O)CC1 1202880986 NNCLFWWYQHTMOI-UHFFFAOYSA-N 318.377 -0.422 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(Cc2cnon2)C[C@H]1C 1206891780 IIYSKAVOWQOTRX-ZYHUDNBSSA-N 305.338 -0.854 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCCN(C(=O)c2cn(C)cn2)C1 1207806215 BQAPSQHKXOLGFH-QWHCGFSZSA-N 317.393 -0.248 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(Cc2nnn(C)n2)C[C@H]1OC 1213957925 UKFYPNSDFMEQEQ-VXGBXAGGSA-N 324.385 -0.882 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)COCC=C)C[C@H]1C 1214329366 FELGEKPYNRHBDM-HZSPNIEDSA-N 307.394 -0.237 30 20 DBED C=CCCCN[C@@H]1CN(C(=O)C[C@H](NC(C)=O)C(N)=O)C[C@H]1C 1215803191 UOABXCJVJMFYCN-KWCYVHTRSA-N 324.425 -0.231 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)c2cn(CC)cn2)C[C@H]1C 1216409559 JKOYQJQJDHRLCI-CHWSQXEVSA-N 317.393 -0.298 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CN(Cc2ccnc(N(C)C)c2)C[C@@H]1O 1219379319 QZINLWCHDCYVOE-YUTCNCBUSA-N 317.393 -0.031 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2ccc(CC)o2)C1 1219884541 JGUORRWAUHVHBI-OLZOCXBDSA-N 321.377 -0.081 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)[C@@H](CCC)NC(N)=O)C1 1220857130 JTWRLQPHJROPPD-MXWKQRLJSA-N 318.805 -0.263 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CN(C)C(C)=O 1224921536 BTVIGNGGFSFQPY-ZIAGYGMSSA-N 322.409 -0.769 30 20 DBED COCC#CCN1CC[C@H]1CN(C)C(=O)CO[C@@H]1CCOC1 1234295566 GMCNZSPYXQODNR-LSDHHAIUSA-N 310.394 -0.026 30 20 DBED C=C(C)CS(=O)(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 1321014185 LDQBYIXROMUQNW-JTQLQIEISA-N 324.424 -0.825 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@H]1CC[C@H](OC)C1 1323587265 UCWQPPMINGLZPB-QWRGUYRKSA-N 318.395 -0.613 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N1CCSC[C@@H]1CCO 1324234848 KLLDEZFYVYFFNQ-QWRGUYRKSA-N 302.396 -0.370 30 20 DBED CN(C)C(=O)OCCNC(=O)C(=O)Nc1ccc(C#N)cn1 1327294562 IDJXJXUOQHBDSU-UHFFFAOYSA-N 305.294 -0.294 30 20 DBED CCCN(CC)CCNC(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1328303789 XFEOZOARDBXSEJ-HNNXBMFYSA-N 310.398 -0.288 30 20 DBED N#Cc1ccc(NC(=O)C(=O)N2[C@H]3CC[C@H]2CC(=O)NC3)nc1 1328921218 JBMCQGVAFBDURT-QWRGUYRKSA-N 313.317 -0.229 30 20 DBED C#CCCCCNC(=O)C(=O)NC[C@H]1CC[C@@H](C(=O)N(C)C)O1 1329047209 XQVCZYPTCYQIGF-OLZOCXBDSA-N 323.393 -0.342 30 20 DBED C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)CO1 1330427148 VSRZEJTUWCXXJR-NQBHXWOUSA-N 306.366 -0.521 30 20 DBED C=CCNC(=O)Cn1nnnc1N1CCc2ncsc2C1 1334104018 PKICHMMTAZKVOA-UHFFFAOYSA-N 305.367 -0.006 30 20 DBED C#CCOc1ccccc1CNC(=O)C(=O)N(C)CCNC 1348575143 WFLSSVMXADAWSX-UHFFFAOYSA-N 303.362 -0.007 30 20 DBED C=CCn1cc(CNC(=O)C(=O)NC[C@H]2CCSC2)nn1 1349030362 KVGQZSOJROKLKG-SNVBAGLBSA-N 309.395 -0.050 30 20 DBED N#Cc1c(NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)ncc2c1COCC2 1361412310 UIUAIJKGQYHAGF-NWDGAFQWSA-N 316.317 -0.003 30 20 DBED CS(=O)(=O)NCc1ccc(C(=O)N2CCO[C@H](C#N)C2)o1 1362061655 VEZJCDNKYPTWEY-SNVBAGLBSA-N 313.335 -0.307 30 20 DBED COC(=O)C1(C#N)CCN(C(=O)CCCc2nn[nH]n2)CC1 1362658856 KZXVTRGDCBUPKF-UHFFFAOYSA-N 306.326 -0.172 30 20 DBED CCN(CCC#N)C(=O)CN1CC[C@@H](CNC(=O)COC)C1 1366673845 CMGCXNHRYSCWGH-ZDUSSCGKSA-N 310.398 -0.167 30 20 DBED CCN(CCC#N)C(=O)CNC[C@@H](C)NC(=O)c1cn[nH]c1 1367654264 AOCZQWIGAFXDAK-LLVKDONJSA-N 306.370 -0.120 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)COc2ccsc2)C1 1371536473 YAXVAGDEYPUBOK-JLLWLGSASA-N 323.374 -0.026 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CCN(C(=O)CN2CCCCC2=O)C1 1372297402 COZCDVLEYBVXMJ-NEPJUHHUSA-N 306.366 -0.124 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)[C@@H]2CCCS2(=O)=O)CC1 1379081421 LDDOJUMMMFAQQH-UWVGGRQHSA-N 313.379 -0.512 30 20 DBED C[C@@H](C#N)C(=O)N(C)C[C@H]1CCN(C(=O)c2cnnn2C)C1 1387615137 SBYXZPHPUGCQMY-WDEREUQCSA-N 304.354 -0.105 30 20 DBED C=C(Cl)CN(C)C[C@H](C)NC(=O)CN1CCN(C)C(=O)C1 1401766748 UGZRGGPSXVQNKZ-LBPRGKRZSA-N 316.833 -0.051 30 20 DBED N#Cc1c[nH]c(C(=O)NCC2(O)CN(CCn3cccn3)C2)c1 1402317204 KRDGQHUXWPXQSG-UHFFFAOYSA-N 314.349 -0.440 30 20 DBED CO[C@@]1(C(=O)N2CC[C@@](O)(CC#N)C2)CCS(=O)(=O)C1 1413184730 RMENGZJBYBKBLP-RYUDHWBXSA-N 302.352 -0.933 30 20 DBED C[C@@H](C(=O)NC(C)(C)C)N(C)c1[nH]c(=O)n(C)c(=O)c1C#N 1413888742 YWVSKJXYYPVEOO-QMMMGPOBSA-N 307.354 -0.315 30 20 DBED COCC(=O)NCCN1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 1414735276 ZXFXIPXFFKLQEF-UHFFFAOYSA-N 319.365 -0.593 30 20 DBED CC(C)S(=O)(=O)CC(=O)N[C@@H](C)CNC(=O)[C@@H](C)C#N 1415259820 UCKXLISEHMHLJH-UWVGGRQHSA-N 303.384 -0.410 30 20 DBED C[C@H](CCNC(=O)c1cc(C#N)c[nH]1)NC(=O)c1ncn(C)n1 1415378722 YKPJXQFENCPRID-SECBINFHSA-N 315.337 -0.047 30 20 DBED CC[C@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)[C@@H]1COCCO1 1416197041 JPNPREWUROYUOD-YPMHNXCESA-N 320.349 -0.074 30 20 DBED Cc1ccnc2nc(C(=O)N(C)CCNC(=O)[C@H](C)C#N)nn12 1429451109 HABJVJRIRDSBTF-SECBINFHSA-N 315.337 -0.219 30 20 DBED CC(C)[C@@H](CNC(=O)CN1CCCNC1=O)NC(=O)[C@@H](C)C#N 1433107044 POVKTOKGGBGUJI-NWDGAFQWSA-N 323.397 -0.182 30 20 DBED N#CCOc1cccc(NC(=O)Cn2cnc(C(N)=O)n2)c1 1433132628 LMDMEINPUMSHEM-UHFFFAOYSA-N 300.278 -0.082 30 20 DBED COC(C)(C)CCNC(=O)NCCn1cc(C#N)c(O)nc1=O 1434830382 HUCKPIKNBOEMEK-UHFFFAOYSA-N 323.353 -0.065 30 20 DBED C[C@H](CNC(=O)Cn1ncnn1)N(C)C(=O)c1c[nH]c(C#N)c1 1442774781 PYAFFMZXFLEBAD-SECBINFHSA-N 316.325 -0.850 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)c2ccc(C(N)=O)cn2)C1 1447469066 KBQSOSAFHJMRKY-FBIMIBRVSA-N 315.333 -0.283 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@@H]1CCCN(C(=O)C2(NC(N)=O)CC2)C1 1448394870 QIKCXBXYZIAYCS-GHMZBOCLSA-N 321.381 -0.204 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H](O)CNCc2nncs2)c1 1482717338 ARBJKTOZSQRUNE-SECBINFHSA-N 306.351 -0.382 30 20 DBED C#CCCN1CC[C@H](NC(=O)CS(=O)(=O)N(CC)CC)C1 1566675164 PBWQJHNEBCMJLV-ZDUSSCGKSA-N 315.439 -0.128 30 20 DBED O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@@H]1C[C@@]12CCNC2 1574428321 IGMBVWBWILZGSX-XDEQFSEKSA-N 304.350 -0.371 30 20 DBED C[C@H]1[C@@H](C)N(c2cnc(-c3nn[nH]n3)c(C#N)n2)CC[S@]1=O 1575869406 QULQRRCVOJJVDF-OZDLCJKSSA-N 318.366 -0.126 30 20 DBED CCOC(=O)CON=C(C(=O)N(C)[C@H](C)CN)c1cc[nH]n1 1577954341 KFPGGIYPIMWQIU-SECBINFHSA-N 311.342 -0.501 30 20 DBED N#CCC(=O)N1CCN(C(=O)N[C@@H](CCN)C(F)F)CC1 1580044825 KGVJUCHGSWNAOW-VIFPVBQESA-N 303.313 -0.264 30 20 DBED N#C[C@]12CN(C(=O)c3ccnc(N)c3)C[C@H]1CS(=O)(=O)C2 1580057308 RJBHXCAWLMQCTA-GXFFZTMASA-N 306.347 -0.326 30 20 DBED N#CCNC[C@@H](NC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C1CC1 1581857995 NHEIHMDXZHCDRO-LLVKDONJSA-N 300.326 -0.184 30 20 DBED C#C[C@H](NC(=O)C(=O)N1C[C@@H](C)[C@H](CC(=O)O)C1)[C@H]1CCCO1 1588370495 FJAZAEQBNPDOJZ-FVCCEPFGSA-N 322.361 -0.147 30 20 DBED C#C[C@H]1COCCN1C(=O)C(=O)NCc1ncc(C(=O)O)s1 1588383464 AHYPGNRFFQVADV-QMMMGPOBSA-N 323.330 -0.682 30 20 DBED C=CCONCCS(=O)(=O)c1ccc(-c2nn[nH]n2)cn1 1588689137 GTVBXMPSPUCFEJ-UHFFFAOYSA-N 310.339 -0.257 30 20 DBED CN(C)C[C@](C)(C#N)NC(=O)c1cc(-c2nn[nH]n2)ccn1 1591011817 ABUAELMWQOATHL-ZDUSSCGKSA-N 300.326 -0.165 30 20 DBED CON1CCC(Nc2cnc(C#N)c(-c3nn[nH]n3)n2)CC1 1591468382 KIZGWCMTPUIIFO-UHFFFAOYSA-N 301.314 -0.034 30 20 DBED N#Cc1cccc(CC(=O)NCCn2cnc(-c3nn[nH]n3)n2)c1 1592701583 DXTXJEUUMRYOTJ-UHFFFAOYSA-N 323.320 -0.311 30 20 DBED Cn1ncc(C(=O)O)c1NC(=O)C(=O)N[C@@H]1CC[C@H](C#N)C1 1601023213 OYWLNUFUDVUCAC-JGVFFNPUSA-N 305.294 -0.135 30 20 DBED C#CCN(CC(=O)O)C(=O)[C@@H](O)[C@H](O)c1nc2ccccc2[nH]1 1602679850 XJJRDXGPQCUQIX-STQMWFEESA-N 317.301 -0.496 30 20 DBED C#CC[C@H](NC(=O)c1cc(S(N)(=O)=O)sc1C)C(=O)O 1602692126 HRLUCBSODUDMRY-QMMMGPOBSA-N 316.360 -0.090 30 20 DBED C[C@H](O)C(=O)N1CCN(c2ccc(C(=O)O)nc2C#N)CC1 1604380357 ZRDGRDJCGOIUST-VIFPVBQESA-N 304.306 -0.319 30 20 DBED N#Cc1cn(CC(=O)N[C@H](CC(=O)O)C2CC2)c(=O)nc1O 1608223523 XOZWEFFENDNRKR-SECBINFHSA-N 306.278 -0.810 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCC[C@@H]1CNCCS(C)(=O)=O 1733339397 ABCABUZGFJTMOZ-TZMCWYRMSA-N 318.439 -0.061 30 20 DBED C=CCCO[C@H](C)C(=O)N[C@H]1C[C@@H](NCc2nc(=O)n(C)[nH]2)C1 1752715118 UKCFGROPPPWRFY-UTUOFQBUSA-N 323.397 -0.174 30 20 DBED C=CCOCC(=O)N1CC[C@@H](CN[C@H](C)c2nnnn2C)C1 1752932613 QAOJUIOJPODWLP-NEPJUHHUSA-N 308.386 -0.088 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)N1C[C@@H]2CC[C@H](C1)N2CC(N)=O 1753309450 GGJBSESOLUOUQY-HZSPNIEDSA-N 322.409 -0.382 30 20 DBED C#CCCCC(=O)N1C[C@@H]2C[C@H]1CN2CC(=O)NC(=O)NC 1753420374 UXEFZOSQHKORFC-RYUDHWBXSA-N 306.366 -0.469 30 20 DBED CC#CCN1CC[C@H](N(CC)C(=O)CN2CCNC(=O)C2)C1 1753460648 DHADWEUKFCJNDI-AWEZNQCLSA-N 306.410 -0.636 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)COCC2CC2)C[C@@H]1C 1753771465 ZVIXZKIGEUKZSO-ZFWWWQNUSA-N 321.421 -0.011 30 20 DBED C=CCCn1cc(C(=O)NCC2(N[C@@H](C)C(N)=O)CC2)nn1 1754528510 KXKZRBDVAMFDKY-JTQLQIEISA-N 306.370 -0.420 30 20 DBED C#CCNC(=O)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCO1 1754547011 LSTUNILQXYRMIN-ILXRZTDVSA-N 319.405 -0.020 30 20 DBED C#CCCN1CCC(C)(CNC(=O)C[C@@H]2NC(=O)NC2=O)CC1 1754717648 ASWKNZGSAARNRQ-LBPRGKRZSA-N 320.393 -0.174 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC(CO)(NC(=O)CCC)CC1 1755175959 OCFZFHZPJJBVEK-CYBMUJFWSA-N 309.410 -0.133 30 20 DBED O=C(C#CC1CC1)NC1(CO)CCN(CC(=O)NC2CC2)CC1 1755177616 WINJKBHWDLCKKN-UHFFFAOYSA-N 319.405 -0.379 30 20 DBED C=CCN1CC[C@@H](N(C)[C@@H](C)CNC(=O)c2nnn(C)n2)C1=O 1755312204 CNBAWMBSJAEBGG-WDEREUQCSA-N 321.385 -0.953 30 20 DBED C=C(C)CN(CC)C(=O)CN1C[C@H]2C(CNC(=O)C(N)=O)[C@@H]2C1 1755432536 WGQDXTAXGWSVLU-STQMWFEESA-N 322.409 -0.810 30 20 DBED C[C@@H](NCC#N)[C@@H]1CN(C(=O)CCS(C)(=O)=O)CCO1 1755446259 XMHZIVYYNGEZQK-MNOVXSKESA-N 303.384 -0.850 30 20 DBED C#CCN[C@@H](C)[C@H]1CN(C(=O)CCN2CCCC2=O)CCO1 1755448980 ZSBRCJXTNUUUJF-UONOGXRCSA-N 307.394 -0.162 30 20 DBED C#CCN[C@H](C)[C@H]1CN(C(=O)c2cncc(OC)n2)CCO1 1755458185 CCBXWAYAETXBQA-DGCLKSJQSA-N 304.350 -0.063 30 20 DBED C#CCN[C@H](C)CN(C)C(=O)C[C@@]1(C)CCS(=O)(=O)N1 1755613806 HJMPIRRWFMXBLX-DGCLKSJQSA-N 301.412 -0.472 30 20 DBED C=CCN1CC[C@H](N[C@H](CO)CNC(=O)c2ccco2)C1=O 1755621763 VSKNLYOPLZSULL-RYUDHWBXSA-N 307.350 -0.253 30 20 DBED COCC#CCN[C@@H](CO)CNC(=O)[C@@H](C)Cc1cnn(C)c1 1755643203 GSHWYDLEYRWJKT-DZGCQCFKSA-N 322.409 -0.685 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)COCC(F)F)[C@@H]1C 1755657330 BUJSTUQUEAJGTQ-MNOVXSKESA-N 317.336 -0.404 30 20 DBED Cc1cncn1CC(=O)N1C[C@@H](NCC(=O)NCC#N)C[C@H]1C 1755684410 KFTDWMJFLZVVFX-YPMHNXCESA-N 318.381 -0.590 30 20 DBED CNC(=O)C1(C(=O)N[C@@H](C)[C@@H](C)NC(=O)C#CC2CC2)CC1 1755970422 NZEIDJPZBDKDPR-MNOVXSKESA-N 305.378 -0.065 30 20 DBED C#CCOCCC(=O)NC[C@@H](C)N(C)C(=O)[C@@]1(C)CNC(=O)C1 1756026492 HKMZEBHDSUYATL-MLGOLLRUSA-N 323.393 -0.484 30 20 DBED Cn1nccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC#N 1795078107 RWPYBIYYVNHBCC-GNXNZQSNSA-N 317.349 -0.463 30 20 DBED C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](CC)NC(N)=O 1796761939 HVYRSRFFIWZOSF-WRWGMCAJSA-N 306.366 -0.295 30 20 DBED N#CCC(=O)N1CCCC12CN(C(=O)c1cc(O)ncn1)C2 1842620676 VWRKGBYKXVXCAP-UHFFFAOYSA-N 301.306 -0.087 30 20 DBED C#CC(=O)N1CCCC12CN(C(=O)CCN1C(=O)C=CC1=O)C2 1845958350 WFYQBSVNUOAFHO-UHFFFAOYSA-N 315.329 -0.862 30 20 DBED C#CCNC(=O)Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O 7467468 QSJSNDIDHANSDX-UHFFFAOYSA-N 323.374 -0.618 30 20 DBED C#CCNC(=O)CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 26487947 QBPKLGGQKSYVCD-UHFFFAOYSA-N 303.322 -0.139 30 20 DBED CCN1CCN(CC(=O)NCc2ccc(C#N)cc2)C(=O)C1=O 49055199 JINSAUVWDOGQMW-UHFFFAOYSA-N 314.345 -0.135 30 20 DBED N#CCSCC(=O)NCCN1CCN(c2ncccn2)CC1 58479652 SKOBOYXYNIQGLS-UHFFFAOYSA-N 320.422 -0.028 30 20 DBED Cc1noc(CCCNc2c(C#N)c(=O)n(C)c(=O)n2C)n1 66816101 SRCYUTXEBIEQDZ-UHFFFAOYSA-N 304.310 -0.308 30 20 DBED COC(=O)CN(CC(=O)OC)S(=O)(=O)CCCCC#N 68912063 BTSFUFBPVQBKHK-UHFFFAOYSA-N 306.340 -0.342 30 20 DBED CCN(C[C@H](C)C#N)C(=O)CN(C)CC(=O)N1CCOCC1 111242691 FBVHESGEOSHWBQ-CYBMUJFWSA-N 310.398 -0.215 30 20 DBED C#CC[C@H](NC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1)C(=O)O 149692915 BSZOGNIALASVEW-SFYZADRCSA-N 306.240 -0.010 30 20 DBED N#Cc1cnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)c(Cl)c1 176386302 NKSLXXKBARDYTK-SECBINFHSA-N 305.725 -0.246 30 20 DBED CS(=O)(=O)N1CCC(C/N=C(\N)N2CCOCC2)CC1 261673002 POBMTFNTNZVGBK-UHFFFAOYSA-N 304.416 -0.695 30 20 DBED C/N=C(/NCCNS(C)(=O)=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C 262455567 WSQGMJYXIJOWRR-AXFHLTTASA-N 318.443 -0.486 30 20 DBED CN(C)[C@]1(CNc2c(C#N)c(=O)n(C)c(=O)n2C)CCSC1 267087919 LXULHTOHWOINAJ-AWEZNQCLSA-N 323.422 -0.195 30 20 DBED C=CCS(=O)(=O)CCNC(=O)CCn1cc([N+](=O)[O-])cn1 272919340 XTRNGDGOOPQHAA-UHFFFAOYSA-N 316.339 -0.102 30 20 DBED CC[C@H](CC#N)NC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 273831735 GDIAZJWCPSFWNK-NPNZPCOPSA-N 305.334 -0.043 30 20 DBED C=CCCCCNC(=O)N1CCN(C(=O)Cn2cnnn2)CC1 274488606 CVBYFHOKFAQYAU-UHFFFAOYSA-N 321.385 -0.117 30 20 DBED CS(=O)(=O)N1CC[C@H](C/N=C(/O)N2CCC[C@@H]2CO)C1 328751913 RTADRJUGSWWJSC-GHMZBOCLSA-N 305.400 -0.361 30 20 DBED CNC(=O)Cn1cc(N=C(O)N(C)CCN2CCOCC2)cn1 330663759 UADOUYHMSGLXLN-UHFFFAOYSA-N 324.385 -0.561 30 20 DBED CNS(=O)(=O)NC1CCN(/C(O)=N/CCCOC)CC1 331231665 IJGSXQZNKVYRFR-UHFFFAOYSA-N 308.404 -0.545 30 20 DBED CCO[C@@H](C)c1noc(Cn2c(=O)c(C#N)cn(C)c2=O)n1 342704090 KALUAWUUHKZQSN-QMMMGPOBSA-N 305.294 -0.053 30 20 DBED COC(=O)CN(CC#N)CCS(=O)(=O)c1ccc(C#N)cn1 343817780 OPFCFBZOQDZQBZ-UHFFFAOYSA-N 322.346 -0.274 30 20 DBED CN(CC(=O)NCC#CCO)S(=O)(=O)c1ccc(C#N)cc1 352181490 DHPYBXVBDHLOHT-UHFFFAOYSA-N 321.358 -0.709 30 20 DBED CCS(=O)(=O)C[C@@H](C)N(C)S(=O)(=O)N(C)CCC#N 354502960 GFHHXEKSZZRWHY-SNVBAGLBSA-N 311.429 -0.168 30 20 DBED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CC[C@@H](O)C2)n1 359247614 UTLNFFCPSTVEHE-SNVBAGLBSA-N 305.338 0.041 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1CCCS(=O)(=O)CC1 374017557 DEDVVVCCWOAGFR-JTQLQIEISA-N 303.384 -0.493 30 20 DBED CC(C)C[C@@H]1C(=O)NCCN1S(=O)(=O)N(C)CCC#N 408442926 MAGAMMRHGJNICN-LLVKDONJSA-N 302.400 -0.077 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@@H]1CCC(=O)N(C)C1=O 425225941 PXSCLIPPVWSTEK-VHSXEESVSA-N 316.383 -0.550 30 20 DBED C#CCN1CCN(C(=O)CN(C)[C@H]2CC(C)(C)OC2=O)CC1 491314054 CKPYMWYVTQRGFY-ZDUSSCGKSA-N 307.394 -0.210 30 20 DBED C#C[C@H](NC(=O)CN1CCN(S(C)(=O)=O)CC1)C(C)(C)C 491778784 IEVHVOMZUYBRBK-LBPRGKRZSA-N 315.439 -0.272 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 511416802 XNPAUPYJQHMFLE-GARJFASQSA-N 321.424 -0.558 30 20 DBED N#CCNC(=O)CNC(=O)N1CCN(C(=O)N2CCCC2)CC1 588746742 ZWWASMHEAJLUNU-UHFFFAOYSA-N 322.369 -0.831 30 20 DBED CO[C@@H]1CCCN(S(=O)(=O)N2CCO[C@H](C#N)C2)CC1 619713017 LFTRQKIWWOPWDO-VXGBXAGGSA-N 303.384 -0.044 30 20 DBED Cc1ccc(C#N)cc1S(=O)(=O)N(C)CCS(N)(=O)=O 719712307 ALACXSVAPNDGAE-UHFFFAOYSA-N 317.392 -0.224 30 20 DBED C#Cc1ccc(C(=O)NCCN2CCN(C(C)=O)CC2)cn1 728960669 MZXCMXPYRCUKIU-UHFFFAOYSA-N 300.362 -0.043 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccccc2O)C1=O 748568882 IUQADEMNPBNNLI-UHFFFAOYSA-N 317.301 -0.015 30 20 DBED CN(CCC#N)S(=O)(=O)NC[C@H]1COC2(CCOCC2)O1 776874999 KJHAEMGKJHNKPU-NSHDSACASA-N 319.383 -0.412 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCn1cc(C(=O)OC)nn1 803644769 SEKBFUBPNKFZHV-LBPRGKRZSA-N 305.338 -0.722 30 20 DBED C=CCNC(=S)NN=Cc1c(N(C)C)n(C)c(=O)n(C)c1=O 807947182 KMFKZRJAKKQABV-UHFFFAOYSA-N 324.410 -0.866 30 20 DBED C[C@H](N)C[C@H](C)NC(=O)C(=O)NCCNc1ccc(C#N)cn1 843264768 OSBUCJFWJHJDEQ-QWRGUYRKSA-N 318.381 -0.277 30 20 DBED C=CCNC(=O)COC(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 845929432 UQGFYZWYCXRNAL-DUBDDPSESA-N 318.329 -0.361 30 20 DBED C#C[C@@H](C)NS(=O)(=O)CCCS(=O)(=O)NC1(C#N)CC1 848965428 OWTRQPRNYXDRJC-SNVBAGLBSA-N 319.408 -0.707 30 20 DBED C=C[C@](C)(O)C(=O)N(CCCNC(=O)[C@](C)(O)C=C)OC 856013922 BITCXDINJXOYQM-KGLIPLIRSA-N 300.355 -0.243 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@H](C)C(=O)N(C)OC 859413476 JCRQRHDUZZCOPQ-VHSXEESVSA-N 306.388 -0.289 30 20 DBED C#CC1(O)CN(C(=O)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)C1 890519594 PSOWZJGRNKLKOK-BDJLRTHQSA-N 319.361 -0.306 30 20 DBED C=C(Br)CNC(=O)C(=O)NCCN1CCNC1=O 898700111 ZMRPAEXNQTWZLJ-UHFFFAOYSA-N 319.159 -0.847 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N1CCOC[C@H]1COC 931095224 XMFWYMQMQFOMMB-CHWSQXEVSA-N 312.366 -0.595 30 20 DBED C=C(Br)CNC(=O)C(=O)NCCO[C@@H]1CCOC1 932852834 XBKHSGDPODPHKC-SECBINFHSA-N 321.171 -0.067 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2cnc(O)n(C)c2=O)[C@H](C)C1 942552239 CUTRBYZMPTVULH-YPMHNXCESA-N 318.377 -0.051 30 20 DBED C[C@H](C#N)C(=O)N1CCCC[C@H](NC(=O)Cn2cncn2)C1 943551518 UXOLMSMMZWDZLF-NEPJUHHUSA-N 304.354 -0.065 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)CC(N)=O 943922454 QBBOWUSKRBJVEQ-OLZOCXBDSA-N 320.393 -0.933 30 20 DBED CC#CCN1CC[C@H](NC(=O)CN2CCC(=O)NC2=O)[C@@H](C)C1 944032408 GWFZNAKZDIIXLO-STQMWFEESA-N 320.393 -0.222 30 20 DBED C[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)CC[C@@H]1NC(=O)C(N)=O 945279314 LPAPLOUDYSCCCG-KWQFWETISA-N 303.322 -0.662 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(NC(=O)[C@H]2CCNC(=O)C2)CC1 948096306 JMFVMACZXDPJHY-QWRGUYRKSA-N 306.366 -0.221 30 20 DBED C[C@H](C#N)C(=O)N1CCC(NC(=O)Cn2cnnc2O)CC1 948096326 KAJUBOCUYCLJCW-SECBINFHSA-N 306.326 -0.749 30 20 DBED C#Cc1cncc(C(=O)N(C)C2CN(C(=O)c3nc[nH]n3)C2)c1 955264158 SZHBXFWNDRNCJQ-UHFFFAOYSA-N 310.317 -0.222 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H]2CN(Cc3cnon3)C[C@H]2O)c1 957957608 NWTXHEPLRBRIKH-GXFFZTMASA-N 316.321 -0.508 30 20 DBED CC#CCN1C[C@H](O)[C@H](CNC(=O)c2cnc3nccn3c2)C1 958253359 HSXBBOZSLAPFRD-OCCSQVGLSA-N 313.361 -0.225 30 20 DBED N#CCN1C[C@@H](O)[C@@H](CNC(=O)c2ccc(C(N)=O)s2)C1 958476532 LSTXANFZZZXBAJ-DTWKUNHWSA-N 308.363 -0.607 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2cnc3c(cnn3C)c2)C1 958527190 WUYSIWOKIFTHTJ-ZIAGYGMSSA-N 313.361 -0.376 30 20 DBED Cn1nnc(C(=O)NC2[C@H]3CN(CC#Cc4ccccc4)C[C@H]23)n1 961506486 SBNGQCZFTYKPQT-KBPBESRZSA-N 322.372 -0.078 30 20 DBED C[C@H]1CCN(CC#N)C[C@H]1NC(=O)CN1CCN(C)C(=O)C1 967034654 RZIKTLINPRPIMM-QWHCGFSZSA-N 307.398 -0.889 30 20 DBED C#CCCN1CC([C@H](C)NC(=O)[C@@H]2CC(=O)N(CCOC)C2)C1 969790257 VORAVLOGGKCUIY-UONOGXRCSA-N 321.421 -0.059 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)C1CN(Cc2nnnn2C)C1 970446152 BDACWIRRXPRFEO-UHTWSYAYSA-N 320.397 -0.262 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)Cn3ncnn3)[C@@H]2C1 972310018 AWISWBAZAPXDKG-VXGBXAGGSA-N 318.381 -0.055 30 20 DBED CC#CCN1CCO[C@]2(CCN(C(=O)c3ncn(C)n3)C2)C1 972372344 XXSHDGODWMQQSH-OAHLLOKOSA-N 303.366 -0.245 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)c3cnnc(O)c3)C2)C1 972420039 MQZIIJIRLWDQSV-HNNXBMFYSA-N 302.334 -0.268 30 20 DBED C=C1CC(C)(C(=O)N[C@H]2C[C@H](NC(=O)Cn3cnnn3)C2)C1 972951040 LNYNZXRPBHMMHA-XYPYZODXSA-N 304.354 -0.207 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CN(CC(=O)NC)CC2(C)C)nn1 977250392 JZNVNFQGRRYZGA-LBPRGKRZSA-N 320.397 -0.350 30 20 DBED CC(=O)N1CC(C(=O)NC[C@H]2CCN(C(=O)[C@@H](C)C#N)C2)C1 983217813 VRDDVUJEIKNBPH-CMPLNLGQSA-N 306.366 -0.411 30 20 DBED C=CCN[C@@H]1CCN(C(=O)CCc2nnc(O)nc2O)[C@H]1C 986463720 PTJBSXQHGAEPFV-VHSXEESVSA-N 307.354 -0.020 30 20 DBED COc1nc(C)ncc1C(=O)NC1CN(C(=O)[C@@H](C)C#N)C1 994158765 RDJRQJOAAALYBK-QMMMGPOBSA-N 303.322 -0.106 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCC1=CCN([C@@H](C)C(N)=O)CC1 1000788670 XCYUBRVEHUBYKJ-ZFWWWQNUSA-N 318.421 -0.294 30 20 DBED N#Cc1ccc(C(=O)NCC2CN(C(=O)[C@@H]3COCCO3)C2)[nH]1 1001476717 BTBRYDIVOGRUSF-ZDUSSCGKSA-N 318.333 -0.510 30 20 DBED C[C@@H](C#N)C(=O)N1CC(CNC(=O)[C@H]2CCCCN2C(N)=O)C1 1004588739 BUHUVRZQQUKVOB-CMPLNLGQSA-N 321.381 -0.346 30 20 DBED C=CCN1CC[C@@H](N[C@H]2CCN(C(=O)c3cnn[nH]3)C2)C1=O 1019080118 XMBNRTFBBHMGSY-WDEREUQCSA-N 304.354 -0.604 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H](N[C@H]2CCC(=O)NC2=O)C1 1022736920 JSBYDCCYUNSLAP-FHUSYTEZSA-N 321.377 -0.381 30 20 DBED C#CCN1CCC(C(=O)NC2CN([C@H](CC)C(N)=O)C2)CC1 1031435273 WMADPJAYNVTCKK-CQSZACIVSA-N 306.410 -0.604 30 20 DBED CN1CC[C@H](C(=O)N[C@H]2CC[C@H](NCC#N)CC2)S1(=O)=O 1034753533 JTBNVVNSTRINKG-IJLUTSLNSA-N 314.411 -0.439 30 20 DBED CN(C)C(=O)CN1C[C@H]2C[C@H]1[C@H]2NC(=O)c1c[nH]c(C#N)c1 1037369962 AVJWIOCCPPNHHC-OSMZGAPFSA-N 301.350 -0.223 30 20 DBED O=C(C#CC1CC1)NC[C@@]1(O)CCN(C(=O)c2cnccn2)C1 1039684995 HQOHIDFZWZBMDU-INIZCTEOSA-N 314.345 -0.417 30 20 DBED C=CCO[C@@H](C)C(=O)NC[C@]1(O)CCN(C(=O)c2cn[nH]c2)C1 1040160083 ALPGRFIVWFFXOD-XHDPSFHLSA-N 322.365 -0.306 30 20 DBED Cc1cncn1CC(=O)NC[C@]1(O)CCN(C(=O)[C@@H](C)C#N)C1 1040316835 RCQQIXIVNAXNNJ-XHDPSFHLSA-N 319.365 -0.569 30 20 DBED N#Cc1cccnc1N1C[C@@H](O)[C@H](NC(=O)Cc2cncnc2)C1 1040999810 OYZADWAPKJXNOF-ZIAGYGMSSA-N 324.344 -0.348 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)c2nnn(C)c2C)C1 1041952200 MWLFCXUORNXOKF-UHFFFAOYSA-N 307.354 -0.607 30 20 DBED CN(C(=O)c1c[nH]c(C#N)c1)C1CN([C@H]2CCCNC2=O)C1 1042637238 DHGPYRJFWFIGJU-ZDUSSCGKSA-N 301.350 -0.079 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(O)CN(C(=O)c2ncccn2)C1 1042806325 DXRSMMPFYRMWLI-CQSZACIVSA-N 320.349 -0.893 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)[C@H](CC)OC)C1 1043032750 HHCMVNWVKHYENK-LBPRGKRZSA-N 312.366 -0.859 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)C[C@@H]2CCNC2=O)C1 1043362890 NRCHXLRJUWGILS-LBPRGKRZSA-N 321.377 -0.994 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)c2cncn2C)C1 1043751709 XABTUMCKRPMBPG-UHFFFAOYSA-N 304.350 -0.473 30 20 DBED N#Cc1cncc(N2C[C@H](O)[C@H](NC(=O)c3ccccn3)C2)n1 1043823131 JXEMSHAPVNIQRL-OLZOCXBDSA-N 310.317 -0.277 30 20 DBED C=CCCN1CC(N(C)C(=O)c2cn(C)c(=O)n(C)c2=O)C1 1043996934 WMCTXUHKPKPVRM-UHFFFAOYSA-N 306.366 -0.584 30 20 DBED C=CCCCC(=O)NCC1(O)CN(C(=O)[C@@H](COC)OC)C1 1045458822 NHNKVHPEMZUZAA-GFCCVEGCSA-N 314.382 -0.306 30 20 DBED C#CCN1CC[C@H](N2CCN(C(=O)[C@@H]3CCNC(=O)C3)CC2)C1 1046020190 PCCMGQGOORWVGC-CABCVRRESA-N 318.421 -0.636 30 20 DBED C#CCN1CC[C@H](N2CCN(C(=O)[C@H]3CCCNC3=O)CC2)C1 1046037701 WOUMGJAQQYESEO-GJZGRUSLSA-N 318.421 -0.636 30 20 DBED CN1C(=O)CC[C@@H]1C(=O)N1CCN([C@H]2CCN(CC#N)C2)CC1 1046057262 XYCNIPLBDIDYRZ-UONOGXRCSA-N 319.409 -0.651 30 20 DBED C=CCCC(=O)N(C)[C@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@@H]1O 1048530264 AYODZQJUTAORMS-QWRGUYRKSA-N 311.382 -0.506 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)Cc2cnc[nH]2)C[C@@H]1O 1049401922 MXLDRCIRNSASAU-USWWRNFRSA-N 305.338 -0.858 30 20 DBED CC(C)C#CC(=O)N1CC[C@@H]([C@H](C)NC(=O)Cn2ncnn2)C1 1050672925 NDSNLXGYUFDURY-QWHCGFSZSA-N 318.381 -0.314 30 20 DBED CN1CCOC[C@@H]1C(=O)N1CC[C@@H](N2CCN(CC#N)CC2)C1 1052017428 ISOZNXSCBDPRBN-HUUCEWRRSA-N 321.425 -0.941 30 20 DBED Cn1c(=O)ccn(CC(=O)N[C@@H]2CCCN(CC#N)CC2)c1=O 1052430256 RNANMNXBDUARTE-GFCCVEGCSA-N 319.365 -0.959 30 20 DBED CC#CCN1CCC[C@H](NC(=O)CN2CCNC(=O)C2)CC1 1052621786 IOKWFLORBSDDMV-AWEZNQCLSA-N 306.410 -0.588 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)[C@H]1C[C@@H](C)CC(=O)N1)CCO2 1053259467 XWMQGXVBNVGDLK-ZIAGYGMSSA-N 319.405 -0.162 30 20 DBED C#CCN1CC2(C1)CN(C(=O)[C@@H]1CCCS1(=O)=O)CCO2 1053538782 JIMBCXGBSVLRJT-LBPRGKRZSA-N 312.391 -0.890 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)Cn3cc(C4CC4)nn3)CO2)C1 1053826720 IPCUOAXUHKAGQX-GFCCVEGCSA-N 316.365 -0.361 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)c3ccc(C(N)=O)o3)CO2)C1 1053866168 UQPRJMZZWZHYEL-JTQLQIEISA-N 303.318 -0.415 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)C(=O)N3CCC[C@H](C)C3)CO2)C1 1053948838 RWFHYRRUGBWLOW-KBPBESRZSA-N 319.405 -0.162 30 20 DBED C[C@@H](C#N)C(=O)NCCN1CCC(NC(=O)[C@H]2CCOC2)CC1 1055630315 YZWHSLNVMYJXIS-STQMWFEESA-N 322.409 -0.121 30 20 DBED C=CCOCC(=O)N[C@]1(CO)CCCN(C(=O)[C@H](C)OC)C1 1055832181 VKXMRKXMXZHZBA-SWLSCSKDSA-N 314.382 -0.306 30 20 DBED C[C@@H](C#N)C(=O)N[C@@]1(CO)CCCN(C(=O)c2cncn2C)C1 1056096857 LCQQZLXUHQBISJ-NHYWBVRUSA-N 319.365 -0.337 30 20 DBED CN1CCC[C@H]1C(=O)N[C@H]1[C@@H]2CN(c3ccc(C#N)nn3)C[C@@H]21 1056150621 UNIFBWBIEPJKTO-SFDCQRBFSA-N 312.377 -0.007 30 20 DBED Cn1cc(C(=O)N[C@H]2[C@@H]3CN(c4nccnc4C#N)C[C@@H]32)nn1 1056197804 GSVRERYQDCAZPK-GDGBQDQQSA-N 310.321 -0.659 30 20 DBED CN(c1cncc(C#N)n1)[C@@H]1CCN(C(=O)c2nnn(C)n2)C1 1057006499 UGGAUIAZKHPVDH-SNVBAGLBSA-N 313.325 -0.777 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)c1cnn(C)c1N 1057170788 AYERRYNKFHLVKQ-UHFFFAOYSA-N 309.370 -0.481 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1057439571 SASYZCJHTKKZAR-VXGBXAGGSA-N 311.338 -0.608 30 20 DBED C=CC(C)(C)C(=O)NCCN(CCO)C(=O)[C@@H]1COC(=O)N1 1057477952 GWPQHSVTLQIPPG-JTQLQIEISA-N 313.354 -0.756 30 20 DBED N#Cc1ccc(NCC2CCN(C(=O)CC(N)=O)CC2)nn1 1057484159 DRZXVOBBYMXQQU-UHFFFAOYSA-N 302.338 -0.126 30 20 DBED Cc1[nH]nc(C(=O)NCCN(CCO)C(=O)C#CC(C)C)c1O 1057517003 HJPQDULMFMQICU-UHFFFAOYSA-N 322.365 -0.366 30 20 DBED Cc1nnccc1C(=O)NCCN(CCO)C(=O)C#CC1CC1 1057532988 UITYRUVXNQDNCA-UHFFFAOYSA-N 316.361 -0.251 30 20 DBED N#Cc1nccc(N2CCC[C@@H](NC(=O)[C@H]3CNC(=O)N3)C2)n1 1058231311 DYLAAPQARIHPPX-NXEZZACHSA-N 315.337 -0.885 30 20 DBED Cc1c(C(=O)N[C@@H]2CCN(c3ccc(C#N)nn3)C2)nnn1C 1058334609 QDNVREUIBYOZCO-LLVKDONJSA-N 312.337 -0.206 30 20 DBED Cc1nc(CC(=O)N[C@@H]2CCN(c3cncc(C#N)n3)C2)n[nH]1 1058353234 AWGYVDTYGIUPOM-SNVBAGLBSA-N 312.337 -0.288 30 20 DBED CC(C)(C)C#CC(=O)NCCN(CCO)C(=O)[C@@H]1[C@H]2COC[C@H]21 1058448141 WWTXDEIAQFZZCB-NHAGDIPZSA-N 322.405 -0.135 30 20 DBED N#Cc1nccc(N2CC[C@H](NC(=O)[C@H]3CCC(=O)NC3)C2)n1 1058594053 HFHZKLDBIMNRHE-QWRGUYRKSA-N 314.349 -0.431 30 20 DBED CCc1nn(C)cc1C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N 1058658641 HZBHKOQDBLNBCQ-NSHDSACASA-N 321.381 -0.307 30 20 DBED COCc1cc(C(=O)NCCN(CCO)C(=O)[C@H](C)C#N)no1 1058658793 LRKLGXVLFFEZHB-SNVBAGLBSA-N 324.337 -0.469 30 20 DBED C=C[C@H](C)[C@H](C)C(=O)NCCN(CCO)C(=O)Cn1cncn1 1058885206 GXHQGGAFFZWDJS-STQMWFEESA-N 323.397 -0.327 30 20 DBED CN1C[C@H](C(=O)N2CC[C@H](Nc3cnc(C#N)cn3)C2)NC1=O 1059023106 MPCKGCBTFVOLRN-GXSJLCMTSA-N 315.337 -0.615 30 20 DBED N#Cc1nc(=N[C@H]2C[C@H](NC(=O)[C@@H]3CC[C@@H]3C(N)=O)C2)cc[nH]1 1059368150 GUJRXGHKZWIYMX-XWLWVQCSSA-N 314.349 -0.659 30 20 DBED N#Cc1nc(=N[C@H]2C[C@@H](NC(=O)CC3OCCCO3)C2)cc[nH]1 1059621617 BDKFEARFMXVXTN-PHIMTYICSA-N 317.349 -0.018 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](CCNC(=O)c2cnn[nH]2)C1 1059647850 IAUBFOMKPNDLBI-GFCCVEGCSA-N 319.365 -0.187 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](CCNC(=O)Cn2cncn2)C1 1060292676 WJDOFKYWYNBQMJ-NWDGAFQWSA-N 304.354 -0.207 30 20 DBED N#Cc1nccnc1NC[C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1 1060826736 DTTZDOHBXRFZJP-WDEREUQCSA-N 314.349 -0.113 30 20 DBED CC(=O)N[C@@H](C)C(=O)NC[C@@H]1COCCN1C(=O)C#CC1CC1 1061253280 SEYSOBZDOYXMBJ-SMDDNHRTSA-N 321.377 -0.732 30 20 DBED C=CCCC(=O)NC[C@@H]1COCCN1C(=O)[C@@H](C)NC(C)=O 1061395677 AFUMRDLIBPWXFF-DGCLKSJQSA-N 311.382 -0.179 30 20 DBED N#Cc1nccnc1N1C[C@@H]2C[C@H]1CN2C(=O)c1cnnc(O)c1 1062537651 GKQQUSYOOZZDGJ-QWRGUYRKSA-N 323.316 -0.053 30 20 DBED CN(C(=O)[C@H]1C[C@H]1C(N)=O)[C@H]1CCN(c2cnc(C#N)cn2)C1 1063032094 KZCWWEPCGFCCIW-TUAOUCFPSA-N 314.349 -0.493 30 20 DBED CC(C)C#CC(=O)NC1(CNC(=O)[C@H]2CCNC2=O)CCC1 1063906355 CETXWPRGDNOSAT-LBPRGKRZSA-N 305.378 -0.063 30 20 DBED Cc1cc(=NC[C@@H]2CCC[C@H]2NC(=O)C(N)=O)c(C#N)c[nH]1 1064133653 KHYIHZOASZPDOR-CMPLNLGQSA-N 301.350 -0.134 30 20 DBED CC(=O)N[C@@H](C)C(=O)N1CCO[C@H](CNC(=O)C#CC(C)C)C1 1064816639 CPKADMJVDKUOBW-GXTWGEPZSA-N 323.393 -0.486 30 20 DBED COCCC(=O)NC[C@@H]1CN(C(=O)CSCC#N)CCO1 1064881740 YNAJAWCRZDMJBG-LLVKDONJSA-N 315.395 -0.377 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCO[C@@H](CNC(=O)COC)C1 1065097072 OELISBSEXMPIBL-FZMZJTMJSA-N 300.355 -0.697 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CN(C(=O)c2ccn(C)n2)CCO1 1065172343 XPIJHBSGIGDRKA-WDEREUQCSA-N 305.338 -0.463 30 20 DBED Cc1c[nH]c(C(=O)N2CCO[C@@H](CNC(=O)[C@H](C)C#N)C2)n1 1065202350 SUBVNNPPHAONPM-KOLCDFICSA-N 305.338 -0.165 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@H]1CN(C(=O)c2cnn[nH]2)CCO1 1065326691 QSOBPERBKDGANX-QMTHXVAHSA-N 323.353 -0.911 30 20 DBED Cn1nnc(C(=O)N2C[C@@H]3CN(c4ncccc4C#N)C[C@@H]3C2)n1 1066050611 GUDJMVRRXZFKFT-TXEJJXNPSA-N 324.348 -0.315 30 20 DBED CCc1nc(C#N)cc(NC[C@@H]2CN(C(=O)C(N)=O)CCO2)n1 1066667822 ARERJLABDQPMOL-SNVBAGLBSA-N 318.337 -0.965 30 20 DBED C=CCOCC(=O)N[C@@H]1COC2(C1)CN(C(=O)c1cc[nH]n1)C2 1068764280 NNBWBYMXTIFURM-NSHDSACASA-N 320.349 -0.288 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1COC2(C1)CN(C(=O)C(F)F)C2 1068868255 LHUHYUGPLIRCHT-UWVGGRQHSA-N 316.304 -0.224 30 20 DBED C#CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2n[nH]cc2F)C1 1070018887 XVMCAAPKUJMKTQ-NEPJUHHUSA-N 317.328 -0.181 30 20 DBED CC[C@@H]1CCO[C@@H]1C(=O)N1C[C@H](n2ccnn2)[C@H](NCC#N)C1 1070215257 MHJKPPVCBJDVTO-MQYQWHSLSA-N 318.381 -0.042 30 20 DBED C=CCN[C@@H]1CN(C(=O)c2cncn2C)C[C@@H]1n1ccnn1 1070227059 JMKAJKPIUGOCPT-YPMHNXCESA-N 301.354 -0.147 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)[C@H]2COC(=O)N2)CCOCC1 1070231283 ROSZHCKELOUIPC-VHSXEESVSA-N 324.337 -0.964 30 20 DBED C[C@H]1CN(C(=O)Cn2cnnn2)C[C@H]1NC(=O)C#CC1CC1 1071555479 BUEHSIBNBJJTJS-CMPLNLGQSA-N 302.338 -0.950 30 20 DBED C#CCOCCC(=O)N[C@H]1CCN(C(=O)CNC(N)=O)C[C@@H]1C 1073961253 YRHWKWOONCUZLS-RYUDHWBXSA-N 324.381 -0.952 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)CCc3nc[nH]n3)C[C@H]21 1074212792 WEBNQMBAJILWTL-OLZOCXBDSA-N 303.366 -0.328 30 20 DBED Cn1c(C(=O)N2CC[C@@H]3OCCN(CC#N)[C@H]3C2)cccc1=O 1074336553 RLKZZGLGFQVDDW-KBPBESRZSA-N 316.361 -0.176 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)c1conc1C 1076217845 KNFCKOIJHGKPEJ-JTQLQIEISA-N 320.349 -0.253 30 20 DBED C#Cc1ccc(C(=O)N[C@@H](C)CCNC(=O)CC(=O)NC)cn1 1076251898 CEDMWQUUBSUTSU-NSHDSACASA-N 316.361 -0.176 30 20 DBED C#CCO[C@@H](C)C(=O)NCC[C@H](C)NC(=O)c1cn(CC)nn1 1076508719 DDQJVTRUWMOJCR-RYUDHWBXSA-N 321.381 -0.039 30 20 DBED C[C@@H](CCNC(=O)CCc1cn(C)nn1)NC(=O)[C@H](C)C#N 1077204721 URZGGZFWCSURMO-MNOVXSKESA-N 306.370 -0.082 30 20 DBED C[C@@H](CCNC(=O)[C@H]1CCNC1=O)NC(=O)CSCC#N 1077733873 XPWJBQUCTYIADC-VHSXEESVSA-N 312.395 -0.610 30 20 DBED C#CCCN1C[C@@H](NC(=O)[C@@H]2CC(=O)N(CCOC)C2)[C@H](C)C1 1079800640 XCZUWYYCVHLSKF-RBSFLKMASA-N 321.421 -0.059 30 20 DBED CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)C2CC(=O)NC(=O)C2)C1 1080413245 UDIWWQMATZTSQX-SECBINFHSA-N 320.349 -0.742 30 20 DBED C#CCCCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CC(=O)NC)C1 1081431746 UFDPVFSKTGBZEI-QWHCGFSZSA-N 323.393 -0.748 30 20 DBED O=C(Cn1ccnc1)NC[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 1081580813 STIYPYJXCJAVBO-KBPBESRZSA-N 316.361 -0.768 30 20 DBED C=CCCCC(=O)NC[C@@H]1CN(C(=O)CC(=O)NC)C[C@@H]1O 1081703727 UFZYOLTXXIORBU-NEPJUHHUSA-N 311.382 -0.586 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CN(C[C@H](C)OC)C[C@H]2OC)nn1 1082213408 ZERUKOCJMRALBV-OUCADQQQSA-N 323.397 -0.072 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)Cc1cnn(C)c1C 1083102337 ZFTQHXGOZFQLPH-LSDHHAIUSA-N 302.378 -0.184 30 20 DBED COc1ccc2c(C(=O)N[C@@H]3CN(CC#N)C[C@@H]3O)cnn2c1 1083866929 OLGTXLLAROOYMZ-OCCSQVGLSA-N 315.333 -0.359 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)CCn3ncn(C)c3=O)[C@@H]2C1 1084545777 YHHKHUUBOYXMCT-CHWSQXEVSA-N 303.366 -0.862 30 20 DBED C#CCN1CC[C@H](NC(=O)[C@@H]2CCc3nnnn3CC2)[C@H]1C 1088870847 KDGXKTONHBZCAV-UPJWGTAASA-N 302.382 -0.162 30 20 DBED CCN(c1ccc(C#N)nn1)[C@H](C)CNC(=O)[C@H]1CNC(=O)N1 1089728235 GPBUQTNHMVTDMD-MWLCHTKSSA-N 317.353 -0.639 30 20 DBED CC(=O)Nc1c[nH]c(C)c1C(=O)N[C@@H]1CCN(CC#N)C[C@H]1O 1090377667 LPHZNUNPCPPYTM-DGCLKSJQSA-N 319.365 -0.030 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2cc(C(N)=O)c[nH]2)[C@@H](O)C1 1090676481 OXCQFHVNMSAIMW-AAEUAGOBSA-N 304.350 -0.698 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)Cn2nc(C)ccc2=O)[C@@H](O)C1 1090747592 KNXXGXZOCYVOBA-KGLIPLIRSA-N 320.393 -0.321 30 20 DBED CCCOCC(=O)N[C@H]1CCN(c2ccnc(C#N)n2)C[C@H]1O 1092143353 SFAYTVICSPRNCO-NWDGAFQWSA-N 319.365 -0.169 30 20 DBED COC[C@H](OC)C(=O)NCC1CC(N=c2cc[nH]c(C#N)n2)C1 1092258778 AKIMGDPJYLNSEE-MCIGGMRASA-N 319.365 -0.262 30 20 DBED Cc1cc(C#N)nc(NCCNC(=O)[C@H]2CCC(=O)NC2)n1 1094255652 VJKUTOMRZUOCBE-JTQLQIEISA-N 302.338 -0.289 30 20 DBED C=C(Cl)CN1CC(n2cc(CNC(=O)c3cnn[nH]3)nn2)C1 1094304311 ZRNRSBHVHDNVGY-UHFFFAOYSA-N 322.760 -0.065 30 20 DBED N#CCN1CCN(C(=O)Cc2ccco2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094668994 ACXDEBLWBKDDGV-QWHCGFSZSA-N 323.374 -0.345 30 20 DBED Cc1cc(C(=O)N[C@@H]2CC(=O)N(C3CN(CC#N)C3)C2)n(C)n1 1094714400 WBHNEBNOXYKMJT-LLVKDONJSA-N 316.365 -0.733 30 20 DBED Cc1nc(C(=O)N[C@H]2CC(=O)N(C3CN(CC#N)C3)C2)co1 1094730427 BGUFGCPFPAMMEM-JTQLQIEISA-N 303.322 -0.479 30 20 DBED CN(C)C(=O)CC(=O)NCCCN(C)c1cncc(C#N)n1 1095752419 LKPLOOYJZVNOGR-UHFFFAOYSA-N 304.354 -0.231 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H](C)N1C(=O)CCC1=O 1097168614 RQOXXSDGRDYCTE-LOWDOPEQSA-N 303.362 -0.121 30 20 DBED C[C@H](CNC(=O)[C@H]1CCCC(=O)N1)Nc1cnc(C#N)cn1 1098117015 AUMYFBQPGVOVTG-MWLCHTKSSA-N 302.338 -0.066 30 20 DBED C[C@@H](CNC(=O)[C@H]1C[C@H]1C(=O)N(C)C)N=c1cc[nH]c(C#N)n1 1098269201 GMRSDRYUMJBDDN-GARJFASQSA-N 316.365 -0.589 30 20 DBED N#CCNCc1cn([C@H]2CCN(C(=O)Cc3cnoc3)C2)nn1 1098703726 ZSLHGUANDIPJKV-ZDUSSCGKSA-N 315.337 -0.105 30 20 DBED C[C@@H](CCNC(=O)[C@@H]1COC(=O)N1)N=c1cc[nH]cc1C#N 1099076928 ICZONSRIBXIVMU-CABZTGNLSA-N 303.322 -0.210 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)CCSC)[C@H](O)C1 1099656852 LEZLDBBOUVFUGF-VXGBXAGGSA-N 313.423 -0.960 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)COCC=C)[C@H](O)C1 1099741382 SERBTJURRKPMQL-CHWSQXEVSA-N 311.382 -0.957 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(Cc2noc(CC)n2)C[C@H]1O 1099741591 VZLTWLPZTGPKAE-NWDGAFQWSA-N 324.381 -0.114 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)CCS(C)(=O)=O)[C@H](O)C1 1099894597 MZCGVYXJVVODAP-NWDGAFQWSA-N 304.412 -0.451 30 20 DBED N#CCN1CC[C@H](NC(=O)C(=O)Nc2ccccc2)[C@@H](O)C1 1099904140 QZEINJHKLRCTIX-STQMWFEESA-N 302.334 -0.300 30 20 DBED C=CC(C)(C)C(=O)N[C@H]1CCN(CCN2CCNC2=O)C[C@H]1O 1099960685 XLVWBWGZUPQEGR-QWHCGFSZSA-N 324.425 -0.225 30 20 DBED Cc1nnc(CC(=O)NCCN(C)c2ccc(C#N)nn2)o1 1100052175 CRVLCWOFHAZPAY-UHFFFAOYSA-N 301.310 -0.165 30 20 DBED N#CCN1CC[C@@H](NC(=O)CCNC(=O)c2ccco2)[C@H](O)C1 1100101082 GJYHEOVHMYLZSX-VXGBXAGGSA-N 320.349 -0.526 30 20 DBED CNC(=O)NC(=O)[C@H](C)NC1CC(CNC(=O)C#CC2CC2)C1 1100315696 AQNOGWNFASQZES-PKSQDBQZSA-N 320.393 -0.272 30 20 DBED CCN(CCNC(=O)CCNC(=O)NC)c1cncc(C#N)n1 1100513507 YDWMNOIDWVCJHW-UHFFFAOYSA-N 319.369 -0.390 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)[C@H]2OCC[C@H]2C)C1 1100685811 UCYDYOQGYHKVLX-LPXQKFACSA-N 307.394 -0.355 30 20 DBED C#CCNC(=O)CN1CC2(C[C@@H](NC(=O)CC)c3nccn32)C1 1101599440 KQDFXXHHSZIHTM-GFCCVEGCSA-N 315.377 -0.386 30 20 DBED CN(CCNc1ccc(C#N)cn1)C(=O)CN1C(=O)CNC1=O 1101606553 CMGJSHLJQACMNV-UHFFFAOYSA-N 316.321 -0.625 30 20 DBED CC(=O)N[C@@H](C(=O)N(C)CCN=c1cc[nH]c(C#N)n1)C(C)C 1101703723 XZUHZUPLJBVINY-CQSZACIVSA-N 318.381 -0.199 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(Cc2nnn(C)n2)C[C@H]1C 1101962096 UQMWULXFAMSUKB-CHWSQXEVSA-N 320.397 -0.566 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(C)n1 1102546458 BSYBHNMXZTYCCY-STQMWFEESA-N 313.361 -0.286 30 20 DBED C#CCNC(=O)CC(=O)N(C)[C@@H]1CCN(c2ncc(F)cn2)C1 1102693976 RMYGKSQHAPTWTJ-GFCCVEGCSA-N 319.340 -0.208 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1CCNC(=O)c1cn(C)c(=O)n1C 1103763074 QKOYQOMPPLUISB-VXGBXAGGSA-N 305.382 -0.065 30 20 DBED C#CCOCCC(=O)NC[C@@H](C)CNc1ccc2nnnn2n1 1104090056 VCUHSFYIBZYBCY-NSHDSACASA-N 317.353 -0.277 30 20 DBED CC#CCNCc1cn(C2CN(C(=O)COCCOC)C2)nn1 1105197392 RMNWEPPPQRNAHG-UHFFFAOYSA-N 321.381 -0.563 30 20 DBED Cc1nc(CC(=O)N(C)CCN(C)c2cncc(C#N)n2)n[nH]1 1105388544 PUGDRWRMXSTAJP-UHFFFAOYSA-N 314.353 -0.088 30 20 DBED Cc1cnc(C(=O)NC[C@@H](O)CN=c2cc[nH]c(C#N)n2)cn1 1105709003 FZYSXFSNOLNRTB-JTQLQIEISA-N 313.321 -0.929 30 20 DBED Cc1cc(C(=O)NC[C@@H](O)CN=c2cc[nH]c(C#N)n2)n(C)n1 1105733608 XCROSDKBQXKHBG-JTQLQIEISA-N 315.337 -0.985 30 20 DBED CN1CCO[C@@H](C(=O)NC[C@@H](O)CNc2ccc(C#N)nc2)C1 1105768818 ASUAXAVKKMSVFU-UONOGXRCSA-N 319.365 -0.827 30 20 DBED C=CCO[C@H](C)C(=O)NC[C@H](O)CNc1nc[nH]c2ncnc1-2 1105892337 VQSMNHNAXUJYBQ-NXEZZACHSA-N 320.353 -0.215 30 20 DBED Cc1conc1C(=O)NC[C@H](O)CN=c1cc[nH]cc1C#N 1105955140 NTKIWFXGVKUWRL-LLVKDONJSA-N 301.306 -0.126 30 20 DBED C[C@@H](CC(=O)NC[C@@H](O)CNc1ncccc1C#N)NC(N)=O 1105972466 KOEQPEYSEBCHLP-GXSJLCMTSA-N 320.353 -0.711 30 20 DBED Cc1ccn(CC(=O)NC[C@@H](O)CNc2cnc(C#N)cn2)n1 1106110358 OFRZDCGXPXOTBC-LBPRGKRZSA-N 315.337 -0.558 30 20 DBED N#Cc1cncc(NC[C@@H](O)CNC(=O)CCc2cn[nH]c2)n1 1106135645 YDHLZWGJLXTXCF-GFCCVEGCSA-N 315.337 -0.407 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)C[C@H]1C 1106959245 GQMPNLISUPEDCV-VXGBXAGGSA-N 306.366 -0.754 30 20 DBED N#Cc1nc(=NC/C=C\CNC(=O)C[C@@H]2COC(=O)C2)cc[nH]1 1107123503 AJCLEMKCGMSGMJ-BVBSBALXSA-N 315.333 -0.192 30 20 DBED COC[C@H](C)N1CC(n2cc(CNC(=O)[C@@H](C)C#N)nn2)C1 1107149326 BGPFTJXZQIXVFI-QWRGUYRKSA-N 306.370 -0.054 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)C(C)(C)S(C)(=O)=O)C1 1108255440 CUZJHPVDKGAOAM-CQSZACIVSA-N 316.423 -0.350 30 20 DBED N#CCN1CC(N2C[C@@H](NC(=O)COC3CCCC3)CC2=O)C1 1108513162 BSZPSWBMNAPNIT-LBPRGKRZSA-N 320.393 -0.130 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)CN(C)C3CCC3)CC2=O)C1 1108552381 KSDFUTZNANDWLC-CYBMUJFWSA-N 318.421 -0.495 30 20 DBED C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1nnnn1C 1109072839 QTMQJNRRESQZLD-WOPDTQHZSA-N 306.370 -0.366 30 20 DBED C[C@H](CN(C)c1cncc(C#N)n1)NC(=O)[C@H](C)CC(N)=O 1109206287 UPYKXOALCWYAAX-NXEZZACHSA-N 304.354 -0.199 30 20 DBED COC[C@@H](OC)C(=O)N[C@@H](CN=c1cc[nH]c(C#N)n1)C1CC1 1109974173 GMJSGCIDHUWYME-NWDGAFQWSA-N 319.365 -0.262 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C[C@H](C)OC 1110369970 HXPRXZANHMJCRV-DGAVXFQQSA-N 307.394 -0.118 30 20 DBED C=CCOCCN1C[C@@H]2CCC[C@]2(NC(=O)c2nnn(C)n2)C1 1111835827 LOYJXSUDUGBTJQ-WFASDCNBSA-N 320.397 -0.003 30 20 DBED COCC(=O)NC1(CO)CCN(c2cnc(C#N)cn2)CC1 1112644849 XROXJOSDUVGHBF-UHFFFAOYSA-N 305.338 -0.558 30 20 DBED CC(C)(O)CC(=O)NC[C@@H]1CN(c2nccnc2C#N)C[C@@H]1O 1112717843 PNVLCAMEJYPCDR-PWSUYJOCSA-N 319.365 -0.577 30 20 DBED C#CCNC(=O)CC(=O)N1CCN([C@H](C)c2nncn2C)CC1 1112778042 YGAWBZBWEIHNAI-GFCCVEGCSA-N 318.381 -0.840 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)[C@@H](C)Nc1cnc(C#N)cn1 1112976160 PYXDKNKCVMOTNV-MNOVXSKESA-N 314.349 -0.207 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)Cc2ncccc2F)CC1 1113258051 WSGDHESLQDVGLG-UHFFFAOYSA-N 319.340 -0.453 30 20 DBED C[C@H](CNC(=O)[C@@H]1CCCNC1=O)N(C)c1ccc(C#N)nn1 1113743879 BZDQWTHQLFFSIZ-ZYHUDNBSSA-N 316.365 -0.185 30 20 DBED N#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@@H]3CCCOC3)[C@H]2C1 1114028229 POAJIHZUTGGOHQ-NMKXLXIOSA-N 306.366 -0.901 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)Cc3cc(C)on3)[C@@H]2C1 1114058847 XJKXGDFZEXDJAB-CHWSQXEVSA-N 316.361 -0.679 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)CCCOCC=C)[C@H]2C1 1114109610 WYHHIKLPIUGLOY-HALDLXJZSA-N 319.405 -0.235 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)[C@H]3COCCN3C)[C@H]2C1 1114146770 HXTZMVMXSXGHEL-BARDWOONSA-N 307.394 -0.987 30 20 DBED CC1(C)CN(c2ccc(C#N)nn2)C[C@@H]1NC(=O)CC(N)=O 1114427346 DVGDFHQUVXWPSA-JTQLQIEISA-N 302.338 -0.445 30 20 DBED C#CCCN1C[C@H]2C(NC(=O)CCc3nnc(O)nc3O)[C@@H]2C1 1114513757 ZINGHJKUTVVDKT-NXEZZACHSA-N 317.349 -0.715 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)c3cn(C)c(=O)cn3)[C@H]2C1 1114589981 LWWDBJZJVIYFFN-JYAVWHMHSA-N 316.361 -0.910 30 20 DBED COCCC[C@@H](C)C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1115086152 OSSBDZUUYVPERS-CXTNEJHOSA-N 322.409 -0.265 30 20 DBED CC(C)[C@@H](O)C(=O)NCCOCCN(C)c1ccc(C#N)nn1 1115206430 PKQZCXRGOALHKQ-CQSZACIVSA-N 321.381 -0.066 30 20 DBED CC[C@@H](C#N)NC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 1116667821 LVWRDJAWNRQWON-DCAQKATOSA-N 313.379 -0.560 30 20 DBED Cc1cc(C(=O)NC[C@@H](CO)Nc2cncc(C#N)n2)n[nH]1 1121119749 JHKVJWWCYVZFMU-JTQLQIEISA-N 301.310 -0.417 30 20 DBED Cc1nccn1CC(=O)NC[C@@H](CO)N=c1cc[nH]cc1C#N 1121599431 RUWWNSWXKIWHLD-ZDUSSCGKSA-N 314.349 -0.531 30 20 DBED CC(=O)NC(C)(C)C(=O)NC[C@H](CO)Nc1cncc(C#N)n1 1121776694 DLJAISVCYNSOPJ-LLVKDONJSA-N 320.353 -0.848 30 20 DBED COCC1(C(=O)NC[C@@H](CO)Nc2cnc(C#N)cn2)CC1 1122246400 PNCQNUZTQSOTJK-NSHDSACASA-N 305.338 -0.336 30 20 DBED Cc1nc(C(=O)NC[C@H](CO)N=c2cc[nH]c(C#N)n2)cs1 1122411866 SVUNMDCVAIGKNA-SECBINFHSA-N 318.362 -0.262 30 20 DBED COC[C@H](OC)C(=O)NC[C@@H](CO)Nc1nc(C)cc(C#N)n1 1122464790 CCHCLONUUNVMFE-RYUDHWBXSA-N 323.353 -0.793 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)[C@]1(C)CCOC1 1124482113 CZVSWZYZFAXOAA-IAQYHMDHSA-N 319.365 -0.572 30 20 DBED COc1ccnc(N(C)C[C@@H](O)CN(C)C(=O)[C@H](C)C#N)n1 1124988230 HHEOKJOACOSZNM-MNOVXSKESA-N 307.354 -0.100 30 20 DBED N#Cc1ccc(C(=O)NCCNC[C@H](O)CN2CCCC2=O)[nH]1 1125776279 KLRDVHPMGMDJPC-LBPRGKRZSA-N 319.365 -0.811 30 20 DBED COCCc1nc(CNCCNC(=O)c2c[nH]c(C#N)c2)no1 1125988188 OYFXEZPGHMSYMW-UHFFFAOYSA-N 318.337 -0.022 30 20 DBED C#CCOCCC(=O)NCCNCc1nnnn1C(C)(C)C 1127027552 UBNCEENZHDTGHC-UHFFFAOYSA-N 308.386 -0.326 30 20 DBED CC(=O)Nc1c[nH]c(C)c1C(=O)NCCNCC(=O)NCC#N 1130603942 YKXWMDKPIVZCMC-UHFFFAOYSA-N 320.353 -0.759 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2C[C@H]3CN(C(C)=O)C[C@@]3(C1)O2 1131164535 OBUFTOOMTXZWFO-YYWXWVFPSA-N 305.378 -0.554 30 20 DBED CC#CCN1CC[C@@]2(C1)CN(C(=O)CC(=O)NC)C[C@@H](C)O2 1131653066 POKBNPUFYCXZEC-CZUORRHYSA-N 307.394 -0.162 30 20 DBED C=CCOCCNC[C@H]1CN(C(=O)CNC(N)=O)CC[C@H]1C 1132634519 ZMZWOXYKUSSWCD-OLZOCXBDSA-N 312.414 -0.069 30 20 DBED Cc1nnsc1C(=O)N[C@H](C)C[C@H](C)NCC(=O)NCC#N 1133696778 ISBFJEMBZSFWJS-DTWKUNHWSA-N 324.410 -0.027 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)[C@H]1OCC[C@H]1C 1134033035 HSDKJONLVYVLOL-OCCSQVGLSA-N 310.398 -0.121 30 20 DBED C[C@@H](C[C@H](C)NC(=O)C#CC1CC1)NCCN1C(=O)CNC1=O 1134323126 YQNXAGVHUSXCFX-RYUDHWBXSA-N 320.393 -0.176 30 20 DBED C#CCCN[C@@H](C)C[C@@H](C)NC(=O)CN1CCCS1(=O)=O 1134557832 RHWSTWUOKMPOHO-QWHCGFSZSA-N 315.439 -0.082 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NCCN[C@H]1CCCN(C)C1=O 1134816652 GNVGFYGZVKVVHE-KBPBESRZSA-N 324.425 -0.216 30 20 DBED C#CCCN[C@H](C)C[C@H](C)NC(=O)Cn1ccc(O)nc1=O 1134891876 HWGXTJPREZXSOY-NEPJUHHUSA-N 306.366 -0.155 30 20 DBED C[C@@H](C[C@H](C)NC(=O)CNC(=O)C1CCOCC1)NCC#N 1135701516 LPOMXZNPGCWGPD-RYUDHWBXSA-N 310.398 -0.074 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@H]1CCO[C@H](C(C)C)C1 1146769830 NVRJEANGGJKUTQ-KBPBESRZSA-N 309.410 -0.107 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1ccc(NC(N)=O)cc1 1150064032 IXROIZRFNIFFHC-UHFFFAOYSA-N 319.365 -0.201 30 20 DBED CC(=O)NCC(C)(C)C(=O)NC[C@@H]1CN(CC#N)CCCO1 1150445173 SJQALWQOAKHJSF-CYBMUJFWSA-N 310.398 -0.121 30 20 DBED C=CCN1CCC(CCOC)(NC(=O)[C@@H]2CNC(=O)N2)CC1 1151281789 QWDUUQSZZWTBJD-LBPRGKRZSA-N 310.398 -0.159 30 20 DBED C=CCNC(=O)CN(CC)[C@H](C)CNC(=O)CNC(=O)NC 1153720760 OSRKFVFGWGUQCN-LLVKDONJSA-N 313.402 -0.956 30 20 DBED C#CCN(CC)[C@H](C)CNC(=O)C(C)(C)NS(C)(=O)=O 1155703182 DDUPBNMZRNAIHY-LLVKDONJSA-N 303.428 -0.226 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)[C@@H](C)n1cncn1 1156805385 FTOAFZFWQAUTMT-VXGBXAGGSA-N 306.370 -0.927 30 20 DBED CC(=O)NCC(=O)NCC(=O)N1CCCC[C@@H]1CN(C)CC#N 1158142502 UJTZEJKYBVMTQR-CYBMUJFWSA-N 323.397 -0.925 30 20 DBED C#CCN1CC=C(CCNC(=O)CCn2ncn(C)c2=O)CC1 1160787134 IVLXLBOWGUHTQH-UHFFFAOYSA-N 317.393 -0.257 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)[C@H]1CCC(=O)NC1 1161638132 MVJOZTXAULGSSU-RYUDHWBXSA-N 310.398 -0.701 30 20 DBED N#CCNC(=O)CNCCCNC(=O)CCc1cncc(F)c1 1177517120 BIFQPZBGGYTIIU-UHFFFAOYSA-N 321.356 -0.111 30 20 DBED N#CCNCCCCCCNC(=O)CCn1cc[nH]c(=O)c1=O 1179831392 CSUBVYQKQBHHSM-UHFFFAOYSA-N 321.381 -0.284 30 20 DBED C=CCO[C@H](C)C(=O)N1CC[C@H](NCc2nnnn2C)[C@@H]1C 1180269261 OYYWEQGANKJSGE-TUAOUCFPSA-N 308.386 -0.120 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@@H](NCC(=O)NCC2CC2)C1 1182504676 HKBYNISRABMFFH-GXTWGEPZSA-N 307.394 -0.259 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2cc3n(n2)CCC3)C1 1183067844 DYUMTPSRNIXNRI-GFCCVEGCSA-N 315.377 -0.617 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@@H](NCC(=O)NC(C)C)C1 1183354153 RZPKYGHCXOWIRY-CABCVRRESA-N 320.437 -0.201 30 20 DBED C=CCOCCN[C@@H]1CCN(C(=O)c2cc(=O)n(C)cn2)C1 1183368046 AOSSWUSPNWFWPJ-GFCCVEGCSA-N 306.366 -0.213 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2cn(CC)cn2)C1 1187143666 VTFMOSKCFNJMML-CHWSQXEVSA-N 317.393 -0.155 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CCCN2C(C)=O)C1 1188218035 OYOQZENGXCULDN-ZIAGYGMSSA-N 322.409 -0.510 30 20 DBED C=CCNC(=O)[C@@H](C)N(C)[C@H]1CCN(C(=O)c2cnn[nH]2)C1 1191119291 ODLLZDFIEVGEKR-MNOVXSKESA-N 306.370 -0.358 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 1192298365 OPEXJNLBDWETLI-ZIAGYGMSSA-N 304.350 -0.136 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)C[C@@H]2CCC(=O)N2)C1 1192800608 IBDMHXMVXCMMMM-QWHCGFSZSA-N 322.409 -0.510 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2cccnc2)C[C@H]1O 1192844271 NRHFAICDEGEIHO-NWANDNLSSA-N 303.362 -0.219 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2cnc(C)cn2)C[C@H]1O 1192899094 GXYZJAXUGIECDM-BPLDGKMQSA-N 318.377 -0.515 30 20 DBED CCn1nnc(C)c1C(=O)N[C@@H]1CN(CC#CCOC)C[C@H]1O 1193691420 PQLZZVOLZSIXFV-CHWSQXEVSA-N 321.381 -0.969 30 20 DBED Cc1nc[nH]c1C(=O)N1CC[C@@H](N(C)CC(=O)NCC#N)C1 1194532614 UMSZNPVJWHPKQE-LLVKDONJSA-N 304.354 -0.496 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)c2c(C)cnn2C)C1 1195413729 YCZVZRZKRDTBKI-CHWSQXEVSA-N 306.366 -0.847 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)CN(C)C(=O)c2ccccc2)C1 1195808718 WSXLRQOICNUIOK-HUUCEWRRSA-N 315.373 -0.447 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)c2nc(C)oc2C)C1 1197130764 NBYKVPPVOWUSAL-CHWSQXEVSA-N 307.350 -0.284 30 20 DBED COCC(=O)N[C@H](C(=O)N1CCCN(CC#N)CC1)C(C)C 1197378667 CZFOUYNACLIPNZ-AWEZNQCLSA-N 310.398 -0.169 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2nncs2)C[C@H]1O 1199318055 JYRQGBLLDUCOEQ-HBNTYKKESA-N 312.395 -0.210 30 20 DBED C=CCNC[C@H]1CN(C(=O)CN2CCOCC2=O)CCCO1 1200695766 CQNTTXCVQFYFGY-ZDUSSCGKSA-N 311.382 -0.762 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCCN(C(=O)Cc2nc[nH]n2)C1 1210586005 SQECNMYYIGHQAD-NWDGAFQWSA-N 318.381 -0.934 30 20 DBED CO[C@@H]1CN(Cc2nnnn2C(C)C)C[C@H]1NC(=O)[C@@H](C)C#N 1212039363 KXZCOHRRXKWYCL-QJPTWQEYSA-N 321.385 -0.271 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(CC(=O)N2CCC2)C[C@H]1OC 1212188750 AZSZNYVVSINTEQ-ZIAGYGMSSA-N 307.394 -0.162 30 20 DBED Cc1nnc(CN2C[C@H](O)[C@H](NC(=O)[C@@H](C)C#N)C2)n1C1CC1 1219379533 UJZIFSJHDXTBEQ-BIMULSAOSA-N 318.381 -0.258 30 20 DBED C=CCOCCCC(=O)N[C@@H]1CN(Cc2cnon2)C[C@@H]1O 1219427093 YPKZGEUCVJJNEJ-OLZOCXBDSA-N 310.354 -0.286 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(Cc2nnc(CC)o2)C[C@@H]1O 1219536463 RBMOBAJXUBJKGL-ZETOZRRWSA-N 324.381 -0.380 30 20 DBED Cc1noc(CCCN2C[C@H](O)[C@H](NC(=O)C#CC3CC3)C2)n1 1219591528 IVOBZJNKNNXIAR-KGLIPLIRSA-N 318.377 -0.115 30 20 DBED C#CCC1(C(=O)N[C@@H]2CN([C@@H]3CCNC3=O)C[C@@H]2O)CCC1 1219785753 YWTCDMNSQGJZKG-UPJWGTAASA-N 305.378 -0.770 30 20 DBED C#CCCCC(=O)N1C[C@H]2CCN(CC(=O)NC(=O)NC)C[C@H]21 1221514211 NPLPYVMYALPRMQ-CHWSQXEVSA-N 320.393 -0.222 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)[C@H]2C[C@@H](C)CO2)CC1 1228360944 LYGYHIOTDGWEIY-TZMCWYRMSA-N 307.394 -0.259 30 20 DBED C#CCOCCC(=O)N(C)C[C@H]1CCN1[C@@H]1CCC(=O)NC1=O 1234246853 UAVPPIUNULAIOF-CHWSQXEVSA-N 321.377 -0.636 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C[C@H]1CCN1Cc1nc(O)n[nH]1 1234267368 YBCYSPCDTRDNMQ-WDEREUQCSA-N 307.354 -0.419 30 20 DBED N#CCN1CCC(NS(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 1256594700 NSFHVEJNNJSSRB-LBPRGKRZSA-N 313.383 -0.967 30 20 DBED C#CCNC(=O)C1CCN(C(=O)c2cccc(=O)n2C)CC1 1256667986 NEYWUHDUCUKMAO-UHFFFAOYSA-N 301.346 -0.013 30 20 DBED N#CCCCCNC(=O)C(=O)N1CC[C@@H]2NC(=O)OC[C@H]2C1 1258149570 NNJFEYUGZHTVTR-MNOVXSKESA-N 308.338 -0.247 30 20 DBED CC(C)(C)C#CC(=O)N[C@H]1CCN(CCN2C(=O)CNC2=O)C1 1265284918 XNNMAJHSFRGTIZ-LBPRGKRZSA-N 320.393 -0.222 30 20 DBED C[C@](CO)(NC(=O)NCCN/C(O)=C1\N=CC=CC1=O)C1CC1 1319247908 NCXKGZDGXLHDSC-RDRICISKSA-N 322.365 -0.027 30 20 DBED CC1=CC(=O)[C@H](C(=O)/C=C/c2cn(CC(=O)O)nn2)C(=O)O1 1319624150 WEHCLFXPOIKMNG-JDGPPOGSSA-N 305.246 -0.409 30 20 DBED COC(=O)Cn1cccc1C=Nn1cnc2c(cnn2C)c1=O 1319838856 SHYGVFQNMGRBPZ-UHFFFAOYSA-N 314.305 -0.013 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H]2CN2CCCC2)CCO1 1325177512 SOFRQLJDOPQJAV-KGLIPLIRSA-N 320.393 -0.176 30 20 DBED CN(CCNC(=O)C(=O)N1CC[C@@](O)(CC#N)C1)C1CCCC1 1326084326 OPUKCMKYCNKMTO-INIZCTEOSA-N 322.409 -0.146 30 20 DBED Cc1cc(NC(=O)C(=O)N2C[C@@H](CO)[C@@H](O)C2)ncc1C#N 1327085931 YBACPDFOGFLIKD-QWRGUYRKSA-N 304.306 -0.988 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N1CC[C@@H](CN2CCCC2=O)C1 1328074714 GEOGZOUYMQYEBL-STQMWFEESA-N 323.393 -0.226 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N[C@H]2CCN(CCC)C2)nn1 1328527506 XQQQYLQVBDYNLZ-LBPRGKRZSA-N 320.397 -0.319 30 20 DBED CO[C@H]1CCCN(C(=O)C(=O)NC2CCN(CC#N)CC2)C1 1328683896 CRPDUUIOLHFEAS-ZDUSSCGKSA-N 308.382 -0.272 30 20 DBED COC(=O)c1ncoc1CCC(=O)N[C@@H]1CCCN(O)C1=O 1330848301 DOEARRGADSLMAH-MRVPVSSYSA-N 311.294 -0.110 30 20 DBED C=CCn1c(Cc2nc[nH]n2)nnc1N1CC(=O)N(C)C[C@H]1C 1338991551 DDGSNQIXGSHHIL-SNVBAGLBSA-N 316.369 -0.160 30 20 DBED C=CC[C@@H](C)NC(=O)C(=O)Nc1ccc(=O)n(CC(N)=O)c1 1346183769 NZDDFXSTPCCBLT-SECBINFHSA-N 306.322 -0.647 30 20 DBED C=CCn1cc(CNC(=O)NC[C@@H](C)N2CCN(C)CC2)nn1 1346432544 MWMBVOHEHNFYEV-CYBMUJFWSA-N 321.429 -0.101 30 20 DBED Cn1cccc(NC(=O)C(=O)N2CCN(CCC#N)CC2)c1=O 1352204584 QPYAOKUPIHGKEB-UHFFFAOYSA-N 317.349 -0.618 30 20 DBED C[C@@H](C(=O)N1CCC[C@H](CNC(N)=O)C1)n1cnc(C#N)n1 1361649780 GQBDHIYHLOHIEP-VHSXEESVSA-N 305.342 -0.382 30 20 DBED COC(=O)[C@](C)(CO)NS(=O)(=O)c1ccc(F)c(C#N)c1 1364003268 QLVCJOKGDIJFFT-LBPRGKRZSA-N 316.310 -0.100 30 20 DBED Cc1nn[nH]c1C(=O)NC[C@@H](O)CNCc1ccccc1C#N 1374640854 XLNFZLODLDQOSO-ZDUSSCGKSA-N 314.349 -0.135 30 20 DBED C[C@H](C#N)C(=O)N[C@@H](CNC(=O)CCn1cnnn1)C1CC1 1385773740 RUVCPHHOQCOMTM-KOLCDFICSA-N 305.342 -0.766 30 20 DBED Cc1cnc2nc(C(=O)NC[C@H](C)NC(=O)[C@@H](C)C#N)nn2c1 1386334147 FIXVFWAEZAIHPC-UWVGGRQHSA-N 315.337 -0.173 30 20 DBED C[C@H](C#N)C(=O)NCCN(C(=O)c1c[nH]c(C(N)=O)c1)C1CC1 1398368505 SXQOOHYALUEABR-SECBINFHSA-N 317.349 -0.006 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)[C@H](C)NC(N)=O)CCCC1 1399134634 PNHRYBXSRZXZAC-UWVGGRQHSA-N 309.370 -0.252 30 20 DBED COCCC(=O)NC[C@@]1(O)CCN(C(=O)c2ccc(C#N)[nH]2)C1 1401044794 WMJDINNCVRRZQE-HNNXBMFYSA-N 320.349 -0.384 30 20 DBED C[C@H](NCCC1CCN(C(=O)[C@H](C)C#N)CC1)C(=O)NC(N)=O 1405504970 LZDWFCDIQMGOTM-MNOVXSKESA-N 323.397 -0.052 30 20 DBED N#Cc1cn(CCC(=O)N[C@H]2CCN(C3CC3)C2)c(=O)nc1O 1417620503 WAPHNFVRNDBWOP-NSHDSACASA-N 317.349 -0.436 30 20 DBED C[C@@H](C#N)C(=O)NC1CN(C(=O)CS(=O)(=O)C(C)(C)C)C1 1432343095 RWTVFAGVBAEMTG-VIFPVBQESA-N 315.395 -0.314 30 20 DBED C[C@H]1[C@@H](CO)CCN1C(=O)CCn1cc(C#N)c(O)nc1=O 1433946794 GBPODHKIERYRSG-VHSXEESVSA-N 306.322 -0.560 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CNC(=O)CCn2cnnn2)CC1 1453833924 HBHWMTQLNYBTHE-LLVKDONJSA-N 319.369 -0.422 30 20 DBED CC[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)N1CCO[C@@H](C#N)C1 1464513360 QMXPJQOGDFHQAV-DCAQKATOSA-N 318.399 -0.652 30 20 DBED C[C@H](CN(C)C(=O)Cn1ccccc1=O)NC(=O)[C@H](C)C#N 1487775325 UYSJQLFUWGPPRD-VXGBXAGGSA-N 304.350 -0.029 30 20 DBED C=CCn1c(N2CCCNC(=O)C2)nnc1[C@](C)(O)COC 1520483424 HMGZABHKFQXAET-CQSZACIVSA-N 309.370 -0.356 30 20 DBED C[C@@H](C#N)CN(C)c1nnc(Cn2cnc([N+](=O)[O-])n2)n1C 1526019607 PDXDDNUFLJQRGS-QMMMGPOBSA-N 305.302 -0.041 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)C[C@H]2CCC(=O)N2C)CC1 1535888404 MGYQPQGOUHMCIZ-GHMZBOCLSA-N 306.366 -0.078 30 20 DBED COC(=O)[C@@H]1CC[C@H](S(=O)(=O)N[C@H]2CNC[C@H]2C#N)C1 1578832340 KBXCXRUSZCMIEM-ZNSHCXBVSA-N 301.368 -0.641 30 20 DBED C#C[C@@H](NC(=O)C(=O)NCC(C)(C)CC(=O)O)[C@H]1CCCO1 1588370490 FIPBNBLBTYCRCY-GHMZBOCLSA-N 310.350 -0.100 30 20 DBED Cc1c(C(=O)n2ncc(-c3nn[nH]n3)c2N)cnn1CCC#N 1591814160 CQHWROHURQZCIA-UHFFFAOYSA-N 312.297 -0.248 30 20 DBED Cc1nc(-c2nn[nH]n2)c(C#N)n1Cc1nc(C(C)(C)N)no1 1592335847 KKWRCZIYMMEDRI-UHFFFAOYSA-N 314.313 -0.132 30 20 DBED COCC[C@](C)(C#N)NC(=O)[C@H]1CCCN(CC(=O)O)C1=O 1593990187 XKBPNSYHHAVXFF-QMTHXVAHSA-N 311.338 -0.255 30 20 DBED N#C[C@]12CN(C[C@H]3[C@@H](C(=O)O)C3(F)F)C[C@H]1CS(=O)(=O)C2 1601080008 SUIHZSYTNLSMPX-FTYOSLGDSA-N 320.317 -0.178 30 20 DBED C=C(C)C[C@@H](NC(=O)Cn1cc(S(N)(=O)=O)cn1)C(=O)O 1602749821 ZCVLYRLGQNPDKI-SECBINFHSA-N 316.339 -0.934 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1[C@@H]2CN(c3ncc(C(=O)O)cn3)C[C@@H]21 1603129751 MCWUJBMUOXXLAD-SNXWAXQRSA-N 301.306 -0.115 30 20 DBED CC(C)(Cn1c(N)nc(C#N)c1-c1nn[nH]n1)CS(C)(=O)=O 1603157214 DLPLAKRJYQZJSL-UHFFFAOYSA-N 324.370 -0.412 30 20 DBED N#Cc1ccc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)O)cc1 1608198959 MDHXNUMXKFLMNY-NSHDSACASA-N 308.315 -0.118 30 20 DBED C=CCCOCC(=O)N[C@H]1CCN(CCN2C(=O)CNC2=O)C1 1665516553 JAHJASCTSQXMQK-LBPRGKRZSA-N 324.381 -0.679 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)CCCC(=O)NC)C1 1690223981 VBEGCGOHJNXROY-OLZOCXBDSA-N 322.409 -0.769 30 20 DBED C=CCNC(=O)CNC[C@H]1CCCCN1C(=O)[C@H]1C[C@H]1C(N)=O 1724779508 FKTGUFZPJLDWLG-UPJWGTAASA-N 322.409 -0.619 30 20 DBED C=CCN(CC=C)C(=O)CN1CC(NC(=O)[C@@H]2COC(=O)N2)C1 1753375692 RDVZQVQREIUOBA-LBPRGKRZSA-N 322.365 -0.904 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC(NC(=O)[C@H]2CCCCN2CC)C1 1753395946 ZPSWZTQOHSZGNH-UKRRQHHQSA-N 320.437 -0.201 30 20 DBED C#CCNC(=O)[C@H](C)N1CC(CNC(=O)c2nn(C)cc2C)C1 1753401931 WJIYVODJZKSKIJ-LBPRGKRZSA-N 317.393 -0.472 30 20 DBED COCC#CCNCC1(NC(=O)[C@H]2CN(C)CCO2)CCCC1 1753500544 JMZHVXXQQJNNCB-OAHLLOKOSA-N 323.437 -0.015 30 20 DBED C#CCNC(=O)CNC[C@@H]1CCC[C@@H]1NC(=O)c1ccnn1C 1753880176 NTOCQZDPOJXMDT-STQMWFEESA-N 317.393 -0.342 30 20 DBED CC#CCNC[C@@H](O)CNC(=O)[C@@H](C)NC(=O)C1CCCC1 1753919820 JEZLQAFQMGGPSB-TZMCWYRMSA-N 309.410 -0.229 30 20 DBED COCC#CCNC[C@H](C)NC(=O)C(=O)Nc1cc(C)on1 1754294288 DDJAKIWFXNPABC-JTQLQIEISA-N 308.338 -0.334 30 20 DBED C[C@@H](CN(C)CC(=O)NCC#N)NC(=O)C[C@H]1CCCOC1 1754332467 DFXMMIDUWSRXLW-QWHCGFSZSA-N 310.398 -0.121 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@@H](NC(=O)c1cnon1)C1CC1 1754455169 NHUYVLQHXKOHBA-GXSJLCMTSA-N 305.338 -0.695 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCC1(NCC(N)=O)CCOCC1 1754740129 OOAPOQPBHSJEGS-NEPJUHHUSA-N 311.382 -0.682 30 20 DBED C[C@@H]1CN(C(=O)c2cn(C)cn2)C[C@@H]1CNCC(=O)NCC#N 1754812639 VQIDNAGZBKJZFB-NEPJUHHUSA-N 318.381 -0.642 30 20 DBED C#CCNC1(CNC(=O)CN2CCCCS2(=O)=O)CCC1 1754983847 LAJCGJWAPFYLRS-UHFFFAOYSA-N 313.423 -0.326 30 20 DBED C#CCNCC1(O)CCN(C(=O)[C@@H](OC)c2cnn(C)c2)CC1 1755151753 RAESRUPMUKGJSJ-AWEZNQCLSA-N 320.393 -0.316 30 20 DBED CC[C@H](NC(C)=O)C(=O)NC1CC(CNCC(=O)NCC#N)C1 1755218177 HYRMVGAUAHCANQ-BPCQOVAHSA-N 323.397 -0.975 30 20 DBED N#CCNC(=O)CN1C[C@H]2C(CNC(=O)c3ccccn3)[C@@H]2C1 1755429722 FUJWXEJBXSNDBR-STQMWFEESA-N 313.361 -0.371 30 20 DBED COCC#CCN[C@@H](C)CN(C)C(=O)CC[C@H]1NC(=O)NC1=O 1755615788 CKYIMUNNIOYBJZ-NWDGAFQWSA-N 324.381 -0.939 30 20 DBED C[C@@H]1C[C@H](NCC(=O)NCC#N)CN1C(=O)Cc1cncn1C 1755690207 UEHLDTRELBMRQF-NEPJUHHUSA-N 318.381 -0.819 30 20 DBED C#CCN[C@H]1CN(C(=O)CCCS(N)(=O)=O)CC1(C)C 1755775744 QNTJQECTERNQKG-NSHDSACASA-N 301.412 -0.485 30 20 DBED C=CCO[C@H](C)C(=O)N(C)[C@H](C)CNC(=O)CNC(=O)OC 1756004734 CULLZBAOVAXKSV-GHMZBOCLSA-N 315.370 -0.103 30 20 DBED C=CCCOCC(=O)N[C@H]1C[C@H](C)N(C(=O)CNC(C)=O)C1 1756576413 SCUFGUCELFCCOM-AAEUAGOBSA-N 311.382 -0.179 30 20 DBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)C#C)C2)C1 1783046538 LEFKRHUODFNGCC-CZUORRHYSA-N 304.346 -0.512 30 20 DBED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ncon3)C[C@@H]21 1790792622 KECVTSDVUPGDJK-DCAQKATOSA-N 304.306 -0.704 30 20 DBED N#CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC1(O)CCC1)C2 1795084708 OPBBPUAHODRNLO-JJLQDPRZSA-N 321.377 -0.205 30 20 DBED N#CCC(=O)N1CC2(CCCN2C(=O)CN2CCOC2=O)C1 1841483423 CQBPHBZSGQUFQP-UHFFFAOYSA-N 306.322 -0.444 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCC[C@H]2CCCNC2)C1=O 262604104 RNIDAHBUHSFDPC-LLVKDONJSA-N 322.365 -0.531 30 20 DBED CN(CCNc1c(C#N)c(=O)n(C)c(=O)n1C)CC(F)(F)F 264766094 JKZWQNDRIKIKEZ-UHFFFAOYSA-N 319.287 -0.138 30 20 DBED N#Cc1ccccc1S(=O)(=O)NC[C@H]1CC[C@H](C(N)=O)O1 269843524 QFERGCQLFRLENF-GHMZBOCLSA-N 309.347 -0.131 30 20 DBED N#CCN1CCN(C(=O)c2cnc3c(c2)NC(=O)CO3)CC1 271496273 NJFQAPAYNDZHTK-UHFFFAOYSA-N 301.306 -0.306 30 20 DBED CCOC(=O)CO/N=C(/C(=O)N(CC#N)CC#N)c1cc[nH]n1 277882075 BPPALXRKYZPAJM-LDADJPATSA-N 318.293 -0.431 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)CSc2n[nH]c(=O)[nH]2)C1=O 281707905 MPORCQZNYUECMA-MRVPVSSYSA-N 311.367 -0.565 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](CO)C2CCCC2)C1=O 291177794 HWKIARVVUVWDAK-NSHDSACASA-N 323.349 -0.370 30 20 DBED O=C1CCC(=O)N1CC/N=C(/O)N1CCN(C2CC2)C(=O)C1 328714062 NYUXBSPSQWXJMK-UHFFFAOYSA-N 308.338 -0.644 30 20 DBED CC(=O)N1CC(/N=C(/O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)C1 329939727 FVKJNUVHHYPADZ-DUBDDPSESA-N 317.345 -0.019 30 20 DBED CC(=O)NCCC/N=C(/O)N[C@H]1CCCN(S(C)(=O)=O)C1 330446819 WAFKKYYZCUGKLS-NSHDSACASA-N 320.415 -0.560 30 20 DBED Cc1cc(N/C(O)=N/CC(=O)N2CCOCC2)nn1CCC#N 330700144 MYDWBADQBIFGKJ-UHFFFAOYSA-N 320.353 0.290 30 20 DBED N#CCC1(O)CN(C(=O)CSCC(=O)N2CCOCC2)C1 331389607 CUGUYYJUCPLYIY-UHFFFAOYSA-N 313.379 -0.935 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC[C@@]2(CNC(=O)C2)C1 336937614 GYBSCZWQNRSKLE-WCQYABFASA-N 314.411 -0.075 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)NCC(=O)N1CCOCC1 336940837 JKCMTQMKBBKYMS-LLVKDONJSA-N 318.399 -0.839 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CC[C@](C)(C(N)=O)C1 337157661 QBWQWJFVHSASBG-JQWIXIFHSA-N 302.400 -0.090 30 20 DBED COC(=O)[C@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1)OC 342262316 JLYYBRDFLZTNJK-NSHDSACASA-N 305.290 -0.199 30 20 DBED CCO[C@H](C)c1noc(Cn2c(=O)c(C#N)cn(C)c2=O)n1 342704088 KALUAWUUHKZQSN-MRVPVSSYSA-N 305.294 -0.053 30 20 DBED CN(C)C(=O)NCCN(C)C(=O)CNc1ccc(C#N)cn1 343076125 IFVZJIUBALHVET-UHFFFAOYSA-N 304.354 0.095 30 20 DBED C=C[C@H](CO)NS(=O)(=O)c1ccccc1S(C)(=O)=O 349774336 HPSXJOPYSHTCDW-SECBINFHSA-N 305.377 -0.085 30 20 DBED C=C(C)COCCNC(=O)NC[C@H]1CS(=O)(=O)CCO1 351823704 NNDCRBFDTCHRKW-NSHDSACASA-N 306.384 -0.308 30 20 DBED C[C@@H]1COCCN1CCNS(=O)(=O)c1cncc(C#N)c1 352255438 GETLQZLXQOWGSD-LLVKDONJSA-N 310.379 -0.048 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCCN(C)CCCC)C1=O 352387531 YYMHJQWDCSYMLC-UHFFFAOYSA-N 324.381 -0.189 30 20 DBED C=C[C@@H](CO)NC(=O)CCNS(=O)(=O)c1cn(C)c(C)n1 356863237 RBSBYDLCYYUZNJ-JTQLQIEISA-N 316.383 -0.940 30 20 DBED Cn1c(NC[C@@H]2CN3CCC[C@H]3CO2)c(C#N)c(=O)n(C)c1=O 365590941 VWIHNQQNYYJNNN-WDEREUQCSA-N 319.365 -0.769 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2C[C@@H]3OCCC[C@H]32)C1=O 373677141 ULHSMVQDLYGNHD-AXFHLTTASA-N 321.333 -0.353 30 20 DBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC#CCO 412323287 INAKDVLGSFLFFS-NSHDSACASA-N 321.358 -0.663 30 20 DBED CCC[C@H](O)[C@@H](CO)NC(=O)CNC(=O)c1ccc(C#N)cc1 412542668 WQBNADQQWRNFRH-KGLIPLIRSA-N 319.361 -0.074 30 20 DBED N#C[C@H]1CC[C@@H](NS(=O)(=O)N2CCS(=O)(=O)CC2)C1 425191005 UXGMBRYFDVFESX-VHSXEESVSA-N 307.397 -0.757 30 20 DBED CCN1CCN(C(=O)Cn2cnc(C#N)n2)C[C@H]1c1ncc[nH]1 433485064 WUYDYXUDIFXFBF-NSHDSACASA-N 314.353 -0.222 30 20 DBED N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1CNC(=O)C1 444181701 JKWWEFSMFUEQAV-ZETCQYMHSA-N 310.291 -0.367 30 20 DBED C#CCN1CCN(C(=O)CN2CCO[C@@H](COC(C)C)C2)CC1 490985188 KEPFNGLJCRRPOO-MRXNPFEDSA-N 323.437 -0.110 30 20 DBED C#C[C@@H](CC)NC(=O)C(=O)Nc1ccc(S(C)(=O)=O)nc1 491439149 HUWAOVAHJJNKIS-VIFPVBQESA-N 309.347 -0.048 30 20 DBED C#CCNS(=O)(=O)CCCS(=O)(=O)Nc1noc(C)n1 491454222 XCDLFFNYFXTXQH-UHFFFAOYSA-N 322.368 -0.938 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CS[C@H](C)C2)C1=O 516956823 SQANHJPGRQAEQZ-RKDXNWHRSA-N 311.363 -0.027 30 20 DBED Cc1cc(NC(=O)C(=O)N2CCNC(=O)[C@H]2C)n(CCC#N)n1 525883073 RIKXKJNMSFKUPY-SNVBAGLBSA-N 318.337 -0.609 30 20 DBED CCOC[C@@H]1CN(S(=O)(=O)N2CCO[C@H](C#N)C2)CCO1 528533761 AJSJAYQHPLIEQY-NEPJUHHUSA-N 319.383 -0.807 30 20 DBED N#Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)O)C(=O)O)c(F)c1 548530881 WCTKOJSSMLVHSG-QMMMGPOBSA-N 316.266 -0.096 30 20 DBED N#Cc1ccc(S(=O)(=O)NCC(=O)NCC(=O)O)cc1F 559167738 FVOCPWJPOQAPLB-UHFFFAOYSA-N 315.282 -0.824 30 20 DBED Cn1c(=O)c2c(ncn2CCN2CC(C)(C#N)C2)n(C)c1=O 562450740 CSGLQVQZPSCILH-UHFFFAOYSA-N 302.338 -0.721 30 20 DBED C[C@@H](O)C(=O)N1CCN(S(=O)(=O)CCC(C)(C)C#N)CC1 566707152 RIBYUENZOGDKKL-LLVKDONJSA-N 317.411 -0.219 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H]2CCC[C@@H](N)C2)C1=O 574150690 KAZSIGHSVCSQFK-WDEREUQCSA-N 322.365 -0.403 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@H]1C[C@H](C(=O)O)C1 574210878 QIPPBWPTYBCKGR-MGCOHNPYSA-N 305.356 -0.454 30 20 DBED Cc1noc([C@H](C)N(C)c2c(C#N)c(=O)n(C)c(=O)n2C)n1 579258116 BKKFBNDMPYPQJN-ZETCQYMHSA-N 304.310 -0.156 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1C[C@H](O)C[C@@H](C(=O)OC)C1 592196921 CVEUXWDWUNNKPN-HBNTYKKESA-N 313.354 -0.758 30 20 DBED N#Cc1ccccc1OC[C@@H](O)CNC1(C(N)=O)CCOCC1 599470289 NSPVBJMEYKLXDE-ZDUSSCGKSA-N 319.361 -0.078 30 20 DBED CN(CCC#N)C(=O)CCN1CCN(Cc2nc[nH]n2)CC1 602864832 KMDALJUTDNTLST-UHFFFAOYSA-N 305.386 -0.316 30 20 DBED CN(C)CCn1ccc(NC(=O)C(=O)N2CC[C@@](F)(C#N)C2)n1 615633827 RHZRZVCDXJTFOS-CQSZACIVSA-N 322.344 -0.153 30 20 DBED CC#CC[C@@H](CO)NC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 649185504 GAPZXSLNTAOZPV-QPKSUZNQSA-N 320.345 -0.961 30 20 DBED C=C[C@](C)(O)C(=O)N1CCN(c2ncnc3c2cnn3C)CC1 665844536 UXVPBSPTFODFPY-HNNXBMFYSA-N 316.365 -0.051 30 20 DBED C#CCCCS(=O)(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 710261285 MXJXNDNCUOQSSX-LLVKDONJSA-N 308.425 -0.399 30 20 DBED C#Cc1ccc(C(=O)N(CCN2CCOCC2)CC(=O)O)cn1 736092676 IVUQEDRUAMUFNB-UHFFFAOYSA-N 317.345 -0.078 30 20 DBED N#CCN(CC(=O)O)C(=O)CNS(=O)(=O)c1cccs1 739079491 XYJYYOYWAGGFNX-UHFFFAOYSA-N 317.348 -0.537 30 20 DBED CC(=NNC(=S)NCC(N)=O)c1ccc(O)c([N+](=O)[O-])c1 749609094 SWXHKKFCILYSLX-UHFFFAOYSA-N 311.323 -0.026 30 20 DBED N#CCOc1ccccc1C(=O)N1CCN(C(=O)CO)CC1 765264588 WZLLIKVPCAJOIU-UHFFFAOYSA-N 303.318 -0.134 30 20 DBED C#C[C@H](NC(=O)CCCN1C(=O)CN(C)C1=O)[C@@H]1CCCO1 772886248 DDLAQIAEJSJOGE-RYUDHWBXSA-N 307.350 -0.042 30 20 DBED C=CCS(=O)(=O)CCNC(=O)CCCN1C(=O)CCC1=O 783541271 DVSZKAKGLOTTOQ-UHFFFAOYSA-N 316.379 -0.367 30 20 DBED N#CC1(CS(=O)(=O)NC(=O)[C@@H]2CC(=O)N(C3CC3)C2)CC1 793197952 UNAOQXFXXKFBED-SECBINFHSA-N 311.363 -0.253 30 20 DBED C[C@H]1CN(C(=O)C(=O)Nc2cnn(CC#N)c2)C[C@@H](C)N1C 815861874 DHFCFBFZKDHEAF-PHIMTYICSA-N 304.354 -0.104 30 20 DBED C#CCO[C@H](C)C(=O)NS(=O)(=O)[C@@H](C)[C@H](C)C(=O)OC 835312972 GMTPDJJWAMRNQQ-AEJSXWLSSA-N 305.352 -0.332 30 20 DBED CS(=O)(=O)c1cccnc1C(=O)N[C@@H]1CCCN(O)C1=O 848131719 JNMJEXFFKNDCMT-MRVPVSSYSA-N 313.335 -0.405 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N=c1nc[nH]n1C(C)C 850726830 ZIWJLBKVCZWOBS-UHFFFAOYSA-N 307.354 -0.282 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2[C@H](C)O[C@H](C)[C@H]2C)CC1 859180132 RXYLVZAMUJZPRY-NYTXWWLZSA-N 321.421 -0.061 30 20 DBED C[C@@H](C(=O)NC1(C#N)CCC1)N1C[C@H]2C(=O)N(C)C(=O)[C@H]2C1 879535611 PUZDZMAVTHABOJ-GARJFASQSA-N 304.350 -0.516 30 20 DBED CNS(=O)(=O)c1ccc(C(=O)OCC(=O)NCCC#N)o1 915240897 ZGSZDEXUHCZNLR-UHFFFAOYSA-N 315.307 -0.626 30 20 DBED C#CCNC(=O)[C@@H](C)OC(=O)c1cc(S(=O)(=O)NC)c[nH]1 915242611 PSZSTONLYNLDDD-MRVPVSSYSA-N 313.335 -0.783 30 20 DBED C#CCN1CCC[C@@H](NC(=O)c2cnn(C[C@@H](O)CO)c2)C1 923557340 LXEYDNXOUSHNGI-ZIAGYGMSSA-N 306.366 -0.936 30 20 DBED C#CCN1CCC[C@@H](NC(=O)Cn2ccc(C(=O)OC)n2)C1 923596510 RTMKCDCMRXOQLS-GFCCVEGCSA-N 304.350 -0.117 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](N(C)C(=O)CN2CCCC2=O)C1 939392179 LDRURFFORJJAQA-VXGBXAGGSA-N 306.366 -0.172 30 20 DBED Cn1cnc(C(=O)N2CC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)n1 940098564 ADQAQBXLLAGSKX-SNVBAGLBSA-N 313.321 -0.341 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](NC(=O)c2cnn(C)n2)[C@H](OC)C1 943095406 UHOZBZCVVXJVFD-VXGBXAGGSA-N 321.381 -0.017 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2cn(C)c(=O)nc2O)[C@@H](C)C1 944907549 NJNLGMJQKBWKAU-CMPLNLGQSA-N 304.350 -0.441 30 20 DBED CC#CCN1CCC[C@H](N(C)C(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 948820998 WLNUTMLCVCFQFX-STQMWFEESA-N 320.393 -0.079 30 20 DBED C#CCN1CCC[C@H](N(C)C(=O)CN2CC(=O)NC2=O)CC1 948865855 YKNPNPAJTUOSMC-LBPRGKRZSA-N 306.366 -0.516 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]1CNC(=O)c1coc(C(N)=O)c1 951173899 XGYAPHLBDDOBRA-WPRPVWTQSA-N 304.306 -0.131 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@@H]2CNC(=O)c2cnon2)c1 951753529 SCVUACPBSSEZQQ-SECBINFHSA-N 300.278 -0.086 30 20 DBED C=C(C)C(C)(C)C(=O)N1CC[C@@H]1CNC(=O)[C@@H]1CNC(=O)N1 951874975 RQLWRGCNWVBTOH-MNOVXSKESA-N 308.382 -0.013 30 20 DBED C[C@@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)Cn1cnnn1)CC2 952591949 LIGYJCUUOLYCBA-SRVKXCTJSA-N 317.353 -0.575 30 20 DBED N#CCN1C[C@H](O)[C@H](CNC(=O)c2ccc3c(n2)OCCO3)C1 958214772 MFMBZHXATHJQRC-PWSUYJOCSA-N 318.333 -0.601 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@@H](CNC(=O)c2cnc(O)n2C)C1 958318682 FXIFBMCVULMLCE-GXSJLCMTSA-N 314.773 -0.099 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1[C@@H]2CN(Cc3nnn(C)n3)C[C@@H]12 961826364 OLDVRYBOZXRBPO-KKOKHZNYSA-N 318.381 -0.652 30 20 DBED Cc1nn(C)cc1C(=O)N[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1O 961931366 ICGWAFAYEGDDOE-FXAINCCUSA-N 305.338 -0.810 30 20 DBED Cc1ncc(C(=O)N2CCOC3(C2)CN(C(=O)[C@@H](C)C#N)C3)[nH]1 965329381 CKKMBLXJROIDTE-JTQLQIEISA-N 317.349 -0.069 30 20 DBED CC#CCN1CC([C@@H](C)NC(=O)[C@H]2CC(=O)N(CCOC)C2)C1 969787270 CJEVBWKBPBWKIA-KGLIPLIRSA-N 321.421 -0.059 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@H]3COCCO3)C[C@@H]2O)C1 970376750 HJQKZSOHCOLNML-FRRDWIJNSA-N 324.377 -0.554 30 20 DBED C=CCN1CC([C@H](C)NC(=O)c2cn(CC(=O)N(C)C)nn2)C1 970927862 ICHLJWXOGIHZAJ-NSHDSACASA-N 320.397 -0.398 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@]2(CN(Cc3nnnn3C)CCO2)C1 972296476 BQTBLMHIVDNKOZ-FZMZJTMJSA-N 319.369 -0.827 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@@]3(CN(CCO)CCO3)C2)c1 972321925 YYHLFDSDMOQRTN-OAHLLOKOSA-N 304.350 -0.204 30 20 DBED C=CCN1CCO[C@@]2(CCN(C(=O)Cn3cnnc3O)C2)C1 972348624 PMIUQAMJDUPBPA-AWEZNQCLSA-N 307.354 -0.527 30 20 DBED C#CCCN1CCO[C@@]2(CCN(C(=O)C[C@H]3CCC(=O)N3)C2)C1 972594051 PQZORNIAYXRHBL-PBHICJAKSA-N 319.405 -0.018 30 20 DBED N#Cc1cc(C(=O)N[C@H]2C[C@H](NC(=O)Cn3nccn3)C2)c[nH]1 973189444 TXXQNWYTMHCYBE-XYPYZODXSA-N 313.321 -0.445 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)c3nc[nH]n3)C2)cn1 973483540 HMBCLFIYJRYDLQ-HAQNSBGRSA-N 310.317 -0.128 30 20 DBED CCn1nncc1C(=O)N[C@H]1[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]21 976450499 MFWXLGVXOSERFS-UXCLJVHYSA-N 302.338 -0.356 30 20 DBED C#Cc1ccc(C(=O)NCC2[C@@H]3CN([C@H](C)C(N)=O)C[C@@H]23)cn1 978985498 DKCWLTNMYHEBGT-ONERCXAPSA-N 312.373 -0.156 30 20 DBED COCC(=O)N1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)[C@H](O)C1 991405069 UFFIRVOIFNGNAT-CMPLNLGQSA-N 306.322 -0.776 30 20 DBED C#CCN[C@@H]1CCC[C@@H]2CN(C(=O)CN3C(=O)CNC3=O)C[C@@H]21 992897926 ACGKIPKIVQIZLC-FRRDWIJNSA-N 318.377 -0.612 30 20 DBED C#CCNC1CCN(C(=O)c2nc(C)n(-c3nc[nH]n3)n2)CC1 996864614 NKWPTZXNWHLTAM-UHFFFAOYSA-N 314.353 -0.479 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(NCc2nnn(C)n2)CC1 997011938 LVTMDRHDTMKUEL-OLZOCXBDSA-N 320.397 -0.118 30 20 DBED C=CCN1CC[C@H](n2cc(CNC(=O)c3cnnn3C)nn2)C1 999992929 SJAJZAJNKCYUHN-LBPRGKRZSA-N 316.369 -0.231 30 20 DBED CC1(C)CC(=O)N(CC(=O)N[C@@H]2CCCN(CC#N)C2)C1=O 1007332857 KYLYWNCGWMJQFJ-LLVKDONJSA-N 306.366 -0.124 30 20 DBED Cn1cc(C(=O)N2CCN(C(=O)C#CC3CC3)CC2)ncc1=O 1011109063 LZQBFCNRNUWGML-UHFFFAOYSA-N 314.345 -0.522 30 20 DBED C[C@H]1[C@H](NC(=O)C(N)=O)CCCN1C(=O)c1cc(C#N)c[nH]1 1015177576 IFBTYXGCYWGUMD-WCBMZHEXSA-N 303.322 -0.519 30 20 DBED C[C@H](C#N)C(=O)N1CCC2(CN(C(=O)c3cnc(O)n3C)C2)C1 1019253066 LRGLJBVRSUAGGD-SNVBAGLBSA-N 317.349 -0.040 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](NC(=O)C(N)=O)[C@@H]1C 1020298934 HCGWPSJNWWVUBU-USZNOCQGSA-N 309.366 -0.442 30 20 DBED Cn1nnc(CN[C@@H]2CC[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]32)n1 1026263191 FWDCGQLZIRZTSU-HZSPNIEDSA-N 314.393 -0.050 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2CC[C@H](C1)N2[C@@H](C)C(N)=O 1029342377 LMIIVZOURCPJMK-XQLPTFJDSA-N 318.421 -0.367 30 20 DBED CC#CCN1[C@H]2CC[C@H]1CN(C(=O)[C@H]1COCCN1C(C)=O)C2 1029590193 JAVBTEBUGDAAMD-HRCADAONSA-N 319.405 -0.068 30 20 DBED CC#CCN1CC(CNC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 1031671611 KMRORULMUOKUQZ-ZDUSSCGKSA-N 315.377 -0.166 30 20 DBED C#CCCN1CC[C@@H](N(C)C(=O)[C@@H]2CCN(C)S2(=O)=O)C1 1033501201 HZUHFQTYWAWACF-OLZOCXBDSA-N 313.423 -0.424 30 20 DBED C=C(C)CN[C@H]1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)CC1 1034795622 MHMGSGMBXUDAIT-HAQNSBGRSA-N 320.397 -0.030 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)[C@H]2CCc3nncn3CC2)C1 1035445183 ACQLZCJMABRGHA-KBPBESRZSA-N 317.393 -0.319 30 20 DBED CC(C)C#CC(=O)N1CC[C@@](O)(CNC(=O)CC(=O)N(C)C)C1 1039753597 UEQBCZSTLXFJQR-MRXNPFEDSA-N 323.393 -0.796 30 20 DBED Cc1nocc1C(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1O 1041316400 OJUNSHAFOBRWFJ-VXGBXAGGSA-N 314.305 -0.376 30 20 DBED N#Cc1nccnc1NC[C@H]1CN(C(=O)CC(N)=O)CCCO1 1041486043 DQDKAFZVGCPEJI-JTQLQIEISA-N 318.337 -0.747 30 20 DBED C=CCCO[C@H](C)C(=O)NCC1(O)CN(C(=O)c2cc[nH]n2)C1 1041873131 AALGEXIOXMENRA-LLVKDONJSA-N 322.365 -0.306 30 20 DBED N#Cc1cc(C(=O)N2CC[C@H]3CCN(CC(N)=O)[C@@H]3C2)c[nH]1 1042018977 PJXLLPXGSJKLME-ZWNOBZJWSA-N 301.350 -0.092 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)CCCOC)C1 1042039626 FSNSGUJOEVXIJX-UHFFFAOYSA-N 300.355 -0.695 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)c2cc(OC)no2)C1 1042802236 HCDREXLVBKIXTP-UHFFFAOYSA-N 321.333 -0.210 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)Cc2ccoc2)C1 1043040617 VDTKISXPSNZNAD-GFCCVEGCSA-N 320.345 -0.450 30 20 DBED C=CCC(C)(C)C(=O)NCC1(O)CN(C(=O)c2nc[nH]n2)C1 1043062124 WWNWMVZQQWTWAM-UHFFFAOYSA-N 307.354 -0.290 30 20 DBED C=CC(C)(C)CC(=O)NCC1(O)CN(C(=O)[C@@H]2CCNC2=O)C1 1043207368 TXOPACQZLOTRIF-LLVKDONJSA-N 323.393 -0.586 30 20 DBED C=CCCOCC(=O)NCC1(O)CN(C(=O)CC(C)(C)O)C1 1043568443 MSGSDTFYPCVBQA-UHFFFAOYSA-N 314.382 -0.570 30 20 DBED N#Cc1cncc(N2C[C@H](O)[C@H](NC(=O)c3cccnc3)C2)n1 1043826599 PDFKQQPYKTZVED-OLZOCXBDSA-N 310.317 -0.277 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CN(c3nccnc3C#N)C[C@@H]2O)c1 1043886941 NKYUPOVQIMMNFE-OLZOCXBDSA-N 323.316 -0.472 30 20 DBED N#Cc1cncc(N2C[C@H](O)[C@H](NC(=O)c3n[nH]cc3F)C2)n1 1044494453 SJIBRPCJGXCSQP-ZJUUUORDSA-N 317.284 -0.810 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)[C@@H](C)n2cccn2)C1 1045540981 NXDANYBGFWVWDI-WDEREUQCSA-N 305.338 -0.707 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)Cc2cnn(CC)c2)C1 1047592534 UWXLQSBMHRXWKQ-GJZGRUSLSA-N 304.394 -0.028 30 20 DBED C=CCCOCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cn[nH]c2)C1 1048366216 BDFBNGFOBOFAFB-STQMWFEESA-N 322.365 -0.354 30 20 DBED C#CCN1C[C@H]2CN(C(=O)[C@@H]3COCCN3C(C)=O)C[C@H]2C1 1049224039 ZIERRGGLMLXSGJ-ZNMIVQPWSA-N 305.378 -0.743 30 20 DBED C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1nccnc1C(N)=O 1049885851 PRWCPVGZAJJNMA-NWDGAFQWSA-N 313.361 -0.112 30 20 DBED C#CCCN1CCOC[C@H]1CNC(=O)c1nccnc1C(N)=O 1051234579 CBAZKGHHXBGMSP-LLVKDONJSA-N 317.349 -0.971 30 20 DBED C#CCN1CCN([C@@H]2CCN(C(=O)C3CN(C(C)=O)C3)C2)CC1 1052018413 JXHYGUROKVZYLG-MRXNPFEDSA-N 318.421 -0.684 30 20 DBED C#CCN1CCN([C@H]2CCN(C(=O)Cc3nonc3C)C2)CC1 1052104300 ZPHAAKOMXQKWQA-AWEZNQCLSA-N 317.393 -0.228 30 20 DBED CN1CC[C@@H](C(=O)N2CC[C@H](N3CCN(CC#N)CC3)C2)C1 1052117026 DKVJVYVZZNWGEF-CABCVRRESA-N 305.426 -0.320 30 20 DBED COc1cnc(C(=O)N2CCOC3(CN(CC#N)C3)C2)nc1 1053336713 JJUXMSNARQEDDB-UHFFFAOYSA-N 303.322 -0.464 30 20 DBED C#CCCN1CC2(CC[C@@H](CNC(=O)c3cn(C)nn3)O2)C1 1053598577 YPBFVIZRNRGSBH-LBPRGKRZSA-N 303.366 -0.198 30 20 DBED C=CCOCC(=O)N1C[C@@H]2CN(C(=O)[C@H](C)NC(N)=O)C[C@@H]2C1 1055248013 BOYQSPOMMRDQEZ-SDDRHHMPSA-N 324.381 -0.837 30 20 DBED CC(C)C#CC(=O)N1C[C@H]2CN(C(=O)Cn3cncn3)C[C@H]2C1 1055329302 MTUSXZMDVFYIQX-OKILXGFUSA-N 315.377 -0.146 30 20 DBED N#Cc1cnc(N2CCN(C(=O)[C@@H]3COC(=O)N3)CC2)c(F)c1 1055785629 MDDLAJJHAMFVOB-NSHDSACASA-N 319.296 -0.151 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@](CO)(NC(=O)CCN(C)C)C1 1056103800 SMHCLGBAFUQAOD-DOMZBBRYSA-N 310.398 -0.433 30 20 DBED CN(c1ccnc(C#N)n1)[C@H]1CCN(C(=O)c2cnnn2C)C1 1056908503 OXCHCNAUPVPSOZ-JTQLQIEISA-N 312.337 -0.172 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)Cc1cnoc1 1057525368 PXOCGEOCLOKORP-UHFFFAOYSA-N 307.350 -0.186 30 20 DBED N#Cc1ccc(N2CCC(NC(=O)[C@H]3C[C@H]3C(N)=O)CC2)nn1 1057944333 PQHDYXUJLWAPFI-NEPJUHHUSA-N 314.349 -0.445 30 20 DBED N#Cc1nccnc1N1CCC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1 1058231870 UOCQJXKLZRLNNA-KOLCDFICSA-N 315.337 -0.885 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)c1cc(C(N)=O)co1 1058834085 JUOAYJZNAWWEDN-VIFPVBQESA-N 322.321 -0.911 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](CNc2ccc3nnnn3n2)C1 1060824356 FEPDXHZBZJISNL-NXEZZACHSA-N 300.326 -0.061 30 20 DBED C=CCCO[C@H](C)C(=O)N1CCOC[C@H]1CNC(=O)COC 1061193019 LONWUAQYKGYURB-CHWSQXEVSA-N 314.382 -0.042 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)CSCC#N 1061317897 LXHCXOJIUPVFRC-WDEREUQCSA-N 310.379 -0.254 30 20 DBED C=C[C@H](CC)CC(=O)N1CCOC[C@H]1CNC(=O)CC(N)=O 1061441894 AJGOCFQYLWIAKC-VXGBXAGGSA-N 311.382 -0.192 30 20 DBED COCCC(=O)N1CCOC[C@@H]1CNC(=O)c1c[nH]c(C#N)c1 1061516472 WXSOUZFCEUBLIK-ZDUSSCGKSA-N 320.349 -0.120 30 20 DBED C#CCOCCC(=O)NC[C@@H]1COCCN1C(=O)c1ccon1 1061581579 RPLVOQNYOKTKGS-GFCCVEGCSA-N 321.333 -0.328 30 20 DBED CN(C(=O)c1cnn(C)n1)[C@H]1CCN(c2cnc(C#N)cn2)C1 1062955320 QJHMDWJHPPIKQO-NSHDSACASA-N 312.337 -0.172 30 20 DBED C#CCNC(=O)CC(=O)NC1(CNC(=O)CCN(C)C)CCC1 1064363013 BFLOLHOUSMRASM-UHFFFAOYSA-N 322.409 -0.767 30 20 DBED N#Cc1cnc(N2CC[C@H]3CCN(C(=O)C(N)=O)C[C@H]32)cn1 1064698399 CBLWXTVSDLHOAR-MWLCHTKSSA-N 300.322 -0.739 30 20 DBED CCCC(=O)NCC(=O)N1CCO[C@H](CNC(=O)[C@@H](C)C#N)C1 1064924268 LMJFJJSCWGDJDG-NWDGAFQWSA-N 324.381 -0.594 30 20 DBED C=CCOCC(=O)N1CCO[C@H](CNC(=O)c2cnon2)C1 1064972296 TXRJTPKTEIRVND-SNVBAGLBSA-N 310.310 -0.771 30 20 DBED C=CCO[C@H](C)C(=O)N1CCO[C@H](CNC(=O)COC)C1 1065277913 CJLBPRSXPMXGLG-VXGBXAGGSA-N 300.355 -0.433 30 20 DBED C=CCCOCC(=O)N1CCO[C@@H](CNC(=O)c2cnn[nH]2)C1 1065278653 MOVCNRNQYCZHDS-NSHDSACASA-N 323.353 -0.645 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(C(=O)[C@@H]2CCC(=O)N2)CCO1 1065400663 FXHHOWDTGUZUDP-STQMWFEESA-N 319.361 -0.978 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@H](CNC(=O)CN2CCCC2=O)C1 1065557700 ULYRQBGDZQHLJX-NWDGAFQWSA-N 322.365 -0.888 30 20 DBED C#CCCN1CCn2ncc(CNC(=O)c3nnn(C)n3)c2C1 1069870770 QXDMLCRCFCJAST-UHFFFAOYSA-N 314.353 -0.825 30 20 DBED C#CCN1CC[C@H](c2n[nH]cc2CNC(=O)c2cnnn2C)C1 1070408576 WGAYQEHMFMIKJA-NSHDSACASA-N 313.365 -0.109 30 20 DBED C=CCN1C[C@H]2C[C@H]3CN(C(=O)[C@@H]4CN(C)CCO4)C[C@@]3(C1)O2 1070779739 GJIHPBWNYQQWCB-QSJFSLAZSA-N 321.421 -0.195 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CCCN(C(=O)c2cnn[nH]2)C1 1070962341 DLIVCRLCHCFLSZ-YGRLFVJLSA-N 307.354 -0.147 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CCCN(C(=O)[C@H]2CCNC2=O)C1 1071068253 WRXAPWROMWZKHA-OLZOCXBDSA-N 305.378 -0.111 30 20 DBED C=CCN1C[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)CC[C@@H]1C 1071548729 KYZYZHNXAHZHIJ-QWHCGFSZSA-N 320.393 -0.298 30 20 DBED C=CCOCC(=O)N1C[C@@H](C)[C@@H](NC(=O)c2nnn(C)c2C)C1 1071807893 BZHOMCOZRSRDCV-PWSUYJOCSA-N 321.381 -0.097 30 20 DBED CNC(=O)NCC(=O)N1C[C@H](C)[C@@H](NC(=O)C#CC2CC2)C1 1072268302 LSPJRXAGVOEOAA-JQWIXIFHSA-N 306.366 -0.708 30 20 DBED C=CCCOCC(=O)N1C[C@H](C)[C@@H](NC(=O)Cn2cnnn2)C1 1072328775 BZBZAUVOLSELTK-RYUDHWBXSA-N 322.369 -0.771 30 20 DBED CCOCCC(=O)N1CCN(C2CN(C(=O)[C@@H](C)C#N)C2)CC1 1073548940 DSLCLYFZKFZFCQ-ZDUSSCGKSA-N 322.409 -0.072 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)c3cc(=O)n(C)o3)C[C@@H]21 1074226561 SEEYSSWXNXFFDG-RYUDHWBXSA-N 305.334 -0.473 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)c3c[nH]c(=O)cn3)C[C@@H]21 1074323920 HBWHVSXNUQYPIL-QWHCGFSZSA-N 302.334 -0.682 30 20 DBED C#CCO[C@@H](C)C(=O)NCC[C@H](C)NC(=O)C1CN(C(C)=O)C1 1076510955 YMVJMIJLLSXYKY-RYUDHWBXSA-N 323.393 -0.486 30 20 DBED C#CCOCCC(=O)N[C@@H](C)CCNC(=O)[C@H]1CCC(=O)N1C 1077950306 MDCXTIAOFRBZMQ-QWHCGFSZSA-N 323.393 -0.342 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(N(CC)C(=O)Cn2cnnn2)C1 1079288288 IUGYNVROIBNKOF-AWEZNQCLSA-N 322.369 -0.941 30 20 DBED CCN(C(=O)[C@H](C)NC(N)=O)C1CN(C(=O)C#CC(C)C)C1 1079664842 IOVQJVSDZGDVRT-NSHDSACASA-N 308.382 -0.238 30 20 DBED C#CCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)[C@@H]2COC(=O)N2)C1 1079775050 RKQRZLKUIFGPNA-JQWIXIFHSA-N 323.349 -0.808 30 20 DBED C#CCN1C[C@@H](NC(=O)c2cn([C@@H]3CCOC3)nn2)[C@H](C)C1 1080740834 YVINOOMJWRAGGR-JHJVBQTASA-N 303.366 -0.077 30 20 DBED C#CCCCCC(=O)NC[C@@H]1CN(C(=O)c2cnon2)C[C@@H]1O 1081417506 UQPLDGLCVKRFAX-YPMHNXCESA-N 320.349 -0.188 30 20 DBED C#CCCCCC(=O)NC[C@@H]1CN(C(=O)c2cnn[nH]2)C[C@@H]1O 1081422619 OOMVDYPGBHFLMY-YPMHNXCESA-N 319.365 -0.453 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)c2n[nH]cc2F)C[C@H]1O 1081441134 DYJYJZRBGFIGLG-CMPLNLGQSA-N 322.340 -0.099 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cn(C)nn2)C1 1081453227 RQZMQYODBJRGDH-YPMHNXCESA-N 319.365 -0.832 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)CC(C)(C)O)C[C@@H]1O 1081462558 BRPKDSROGNNWSU-STQMWFEESA-N 310.394 -0.258 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)Cn2ccnc2)C[C@H]1O 1081462982 IKTJSZBYKRBLPS-ZIAGYGMSSA-N 318.377 -0.522 30 20 DBED CC(C)(C)C#CC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cnn[nH]2)C1 1081590850 XQUOUZVLSRHLBI-PWSUYJOCSA-N 319.365 -0.597 30 20 DBED C#CCCN1C[C@@H](NC(=O)c2ccc3nn[nH]c3n2)[C@H](OC)C1 1081770146 QYANMMQLPAUJKO-CHWSQXEVSA-N 314.349 -0.195 30 20 DBED N#Cc1ccc(C(=O)N2CCCC[C@H]2CNC(=O)C(N)=O)[nH]1 1082008863 FRWVWSBSDIOOOO-JTQLQIEISA-N 303.322 -0.517 30 20 DBED C=CCOc1ccc(C(=O)N[C@@H]2CN(CC(N)=O)C[C@@H]2O)cc1 1083577864 LIJVFTVPCRSSRK-KGLIPLIRSA-N 319.361 -0.488 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)c2c[nH]nc2[C@@H]2CCOC2)C1 1083674355 XHLIVMUTOANUJJ-RTXFEEFZSA-N 306.366 -0.126 30 20 DBED C=C(C)CN1CC[C@@H]2CN(C(=O)CN3C(=O)CN(C)C3=O)[C@@H]2C1 1084818196 OHBITIJGYWLENK-CHWSQXEVSA-N 320.393 -0.011 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2ccn(CC(F)F)n2)[C@H](O)C1 1090345851 YIEABQRWOAPCNI-MWLCHTKSSA-N 313.308 -0.163 30 20 DBED COCC[C@H](C)C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1O 1090427877 DOFJLSVQSBBTBF-CYZMBNFOSA-N 319.365 -0.313 30 20 DBED Cc1cc(N2C[C@@H](O)[C@H](NC(=O)CCN(C)C)C2)c(C#N)cn1 1090525137 LBKNIMJFUVYIKE-UKRRQHHQSA-N 317.393 -0.121 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@H]1OC 1090877436 NVCOLWDOWRTQAI-VXGBXAGGSA-N 317.349 -0.591 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(c2cc(F)ncn2)C[C@H]1O 1092153608 KFEXCQFEOONVRD-GHMZBOCLSA-N 310.329 -0.126 30 20 DBED COC(=O)NCC(=O)N1CCN(c2cnc(C#N)cn2)CC1 1093134875 MFLVKBWWOWYRLK-UHFFFAOYSA-N 304.310 -0.647 30 20 DBED C#CCNC(=O)CC(=O)N1CCN(c2ccc(C#N)cn2)CC1 1093148416 HLWACGWZJBSWDS-UHFFFAOYSA-N 311.345 -0.259 30 20 DBED C#CCCN1C[C@@H](C)[C@H](CNC(=O)[C@H]2CCS(=O)(=O)N2)C1 1093203211 KZOFTMOZNLDMAB-JHJVBQTASA-N 313.423 -0.615 30 20 DBED N#Cc1nc(=NCCNC(=O)CN2CCCCCC2=O)cc[nH]1 1093626162 VTWJLQDVDQMTHC-UHFFFAOYSA-N 316.365 -0.299 30 20 DBED N#Cc1nc(=NCCNC(=O)[C@@H]2CCNC(=O)CC2)cc[nH]1 1094023950 IAFPYXWLEOQBEW-JTQLQIEISA-N 302.338 -0.785 30 20 DBED C#CCN1CC(n2cc(CNC(=O)c3cn(CC)nn3)nn2)C1 1094329619 JRAFIYWLLBOEGL-UHFFFAOYSA-N 314.353 -0.691 30 20 DBED CNC(=O)NCC(=O)NC1CCN(c2ccncc2C#N)CC1 1095449562 HBNHHUQKUQCXFK-UHFFFAOYSA-N 316.365 -0.033 30 20 DBED CN(CCCNC(=O)c1cn(C)nn1)c1ccc(C#N)nn1 1095539347 MTKOTOZBQOLJEF-UHFFFAOYSA-N 300.326 -0.267 30 20 DBED N#Cc1cnc(N[C@H]2C[C@H](NC(=O)C3(C(N)=O)CC3)C2)cn1 1097097283 AENMPRBGFSFFAH-KYZUINATSA-N 300.322 -0.327 30 20 DBED C[C@H](C(=O)N[C@H]1C[C@H](Nc2cncc(C#N)n2)C1)S(C)(=O)=O 1097113505 WRJXNWFCBFADSO-OPRDCNLKSA-N 323.378 -0.160 30 20 DBED CCN1CCOC[C@@H]1C(=O)NC[C@@H](C)Nc1cnc(C#N)cn1 1098129037 SUGRPYWEAYCZCS-DGCLKSJQSA-N 318.381 -0.014 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cc(=O)n2[nH]cnc2n1 1098212881 PFZQRTVRKXEYNZ-FOGDFJRCSA-N 312.333 -0.614 30 20 DBED N#CCN(CCO)C1CCN(C(=O)c2cncnc2O)CC1 1098401099 CDHLMBWFLGCKHQ-UHFFFAOYSA-N 305.338 -0.395 30 20 DBED C[C@@H](CNC(=O)c1nnc(O)nc1O)Nc1ccc(C#N)nn1 1098435649 QUBCFCWUSCIXQA-LURJTMIESA-N 316.281 -0.825 30 20 DBED CC(=O)NCC(=O)N[C@H]1CCC[C@@H](N=c2cc[nH]c(C#N)n2)C1 1098586014 YZDXGNJTYINBAF-NEPJUHHUSA-N 316.365 -0.254 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@@H](n2cc(CNCC(N)=O)nn2)C1 1098697992 NLMLNMIMBZQHGC-GFCCVEGCSA-N 320.397 -0.161 30 20 DBED C=C(C)CCC(=O)N[C@@H]1CCN(CC(=O)NCC#N)C[C@H]1O 1099855016 BDORGWUYOFAKSN-CHWSQXEVSA-N 308.382 -0.466 30 20 DBED C#CCCN1CC[C@@H](NC(=O)C(C)(C)NC(=O)NC)[C@@H](O)C1 1100127150 TYNRZOXUSITRHO-NEPJUHHUSA-N 310.398 -0.731 30 20 DBED C#CCNC(=O)[C@H](C)NC1CC(CNC(=O)CNC(=O)CC)C1 1100191593 QODXBXCETCVTEU-HIFPTAJRSA-N 322.409 -0.865 30 20 DBED CCN1CCOC[C@@H]1C(=O)NCCN(C)c1nccnc1C#N 1100219863 QMCIVELINHTYPO-CYBMUJFWSA-N 318.381 -0.379 30 20 DBED CN1C[C@H](C(=O)NCCN(C)c2ncc(C#N)cc2F)NC1=O 1100255374 MSHWZBHLEHTYRT-LLVKDONJSA-N 320.328 -0.332 30 20 DBED CN(CCNC(=O)[C@]1(C)CCC(=O)NC1)c1ccnc(C#N)n1 1100286120 IYVFRBQFAYMHHU-OAHLLOKOSA-N 316.365 -0.183 30 20 DBED CCNC(=O)CC(=O)NC[C@H]1CCCN1c1nccnc1C#N 1100832098 RHDHUOOYWJQMKE-LLVKDONJSA-N 316.365 -0.041 30 20 DBED C[C@H](NC(N)=O)C(=O)NC[C@H]1CCN(c2cnc(C#N)cn2)C1 1100969316 SCAWEHOHOBLQQB-VHSXEESVSA-N 317.353 -0.652 30 20 DBED CC#CCNC1CC(CNC(=O)[C@@H]2COCCN2C(C)=O)C1 1101005036 SCUAJSNEXZNIEL-NRXISQOPSA-N 307.394 -0.259 30 20 DBED CCCN(CCNC(=O)Cn1nccn1)c1ccnc(C#N)n1 1101189664 ONRSFNVWLXSAPV-UHFFFAOYSA-N 314.353 -0.027 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@H]1CN(Cc2nnn(C)n2)C[C@H]1C 1101916757 NDMDBIRDXFADHS-JMSVASOKSA-N 322.413 -0.279 30 20 DBED C[C@@H](CC(N)=O)C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(C#N)nn1 1102570105 OUGJJPKXJREEOM-DLOVCJGASA-N 314.349 -0.351 30 20 DBED CC[C@H](CNC(=O)C(C)(C)NC(C)=O)N=c1cc[nH]c(C#N)n1 1103135305 GSKZCZHPYLEGSM-LLVKDONJSA-N 318.381 -0.008 30 20 DBED C#CCCNCc1cn(C2CN(C(=O)CCOCC#C)C2)nn1 1105240314 HPHDDIRLIAMBDB-UHFFFAOYSA-N 315.377 -0.186 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@H](O)CNc1cc(COC)ncn1 1105806395 WHTRKOPOVQNYDS-IUODEOHRSA-N 324.381 -0.161 30 20 DBED CCn1ncc(C(=O)NC[C@@H](O)CNc2ccc(C#N)nc2)n1 1105821863 CYMPRMVWBOOKFU-LBPRGKRZSA-N 315.337 -0.233 30 20 DBED CN(C)[C@@H](C(=O)NC[C@H](O)CNc1ccc(C#N)nn1)C1CC1 1105995112 MXSYKEMBSHTCSC-TZMCWYRMSA-N 318.381 -0.423 30 20 DBED COC[C@@H](OC)C(=O)NC[C@@H](O)CN=c1cc(C)[nH]cc1C#N 1106088169 ZXHWNENDMPTHJX-GXTWGEPZSA-N 322.365 -0.766 30 20 DBED C[C@H](CCNc1ccc(C#N)nc1)NC(=O)Cn1cnnn1 1106192813 JOSPMTMAWMJEEG-SNVBAGLBSA-N 300.326 -0.053 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@@H]1CN(C(=O)c2cnn[nH]2)C[C@H]1C 1106365810 IJBMOMMLFBOYPU-IJLUTSLNSA-N 318.381 -0.760 30 20 DBED C[C@@H]1CN(C(=O)COCc2nncn2C)C[C@H]1CNCC#N 1106819802 RZWMPPFVNWWRAV-VXGBXAGGSA-N 306.370 -0.461 30 20 DBED CCCN(C)CC(=O)N1C[C@@H](C)[C@H](CNCC(=O)NCC#N)C1 1106905864 LBZMKPOPQQZRKN-ZIAGYGMSSA-N 323.441 -0.348 30 20 DBED CCOCCOCC(=O)N[C@H](C)CN=c1cc[nH]c(C#N)n1 1107801338 HHFFBJKAHPXJTQ-LLVKDONJSA-N 307.354 -0.260 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)CCS(C)(=O)=O)C1 1108027221 PDDIZUXRYKPJRZ-ZDUSSCGKSA-N 302.396 -0.739 30 20 DBED C[C@H](CN(C)c1cncc(C#N)n1)NC(=O)c1cnnn1C 1108921289 IMCXZXKEJGBZBA-SECBINFHSA-N 300.326 -0.269 30 20 DBED C#CCNC(=O)CC(=O)NCC1(Nc2ccc(C)nn2)CC1 1110105930 WUOKYZBFRZDLJB-UHFFFAOYSA-N 301.350 -0.015 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)[C@H]1CN(c2nccnc2F)C[C@@H]1O 1111190520 FZQIKVRVIDUZTB-SRVKXCTJSA-N 322.340 -0.338 30 20 DBED C#CCO[C@@H](C)C(=O)N(CCO)CCNc1cc(F)ncn1 1111510553 BHOQZDANZSXRIE-NSHDSACASA-N 310.329 -0.113 30 20 DBED CSCC(=O)NC[C@H]1CN(c2nccnc2C#N)C[C@@H]1O 1112697906 PXDYODKWXFIEEP-ONGXEEELSA-N 307.379 -0.375 30 20 DBED C[C@@H](N=c1cc[nH]c(C#N)n1)[C@@H](C)NC(=O)CNC(=O)C1CC1 1112962121 BWKQGKVLFCSGAN-NXEZZACHSA-N 316.365 -0.399 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)[C@@H](C)Nc1ccc(C#N)nn1 1112977776 FVKDKKPNZRMQJP-GHMZBOCLSA-N 314.349 -0.207 30 20 DBED COCC#CCN1CCN(C(=O)CN2CCCCC2=O)CC1 1113062263 RXAZVRCFXGQKLY-UHFFFAOYSA-N 307.394 -0.207 30 20 DBED C[C@H](CNC(=O)c1cnn(C)n1)N(C)c1cnc(C#N)cn1 1113651802 JVUVDQLGMRJKCN-SECBINFHSA-N 300.326 -0.269 30 20 DBED C=CCCOCC(=O)N1CCN(CCS(C)(=O)=O)CC1 1113707925 JJCLWWOBYPHYGJ-UHFFFAOYSA-N 304.412 -0.232 30 20 DBED C=CCN1CC[C@H](N2C[C@@H]3C(NC(=O)COCC)[C@H]3C2)C1=O 1113823522 XHAGVSMTMGTPCX-AVGNSLFASA-N 307.394 -0.144 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)CCCOCC)[C@H]2C1 1113924904 KCLCATVCLQXBSG-VIKVFOODSA-N 307.394 -0.401 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)C3=CCOCC3)[C@H]2C1 1114163485 IKFAORJUNLCHPV-STQMWFEESA-N 303.362 -0.871 30 20 DBED C=C(C)CN1C[C@H]2C(NC(=O)[C@@H](C)NS(C)(=O)=O)[C@@H]2C1 1114888341 FKDKXWOTKFRUMU-GMTAPVOTSA-N 301.412 -0.453 30 20 DBED C#CCN1C[C@H]2[C@H](NC(=O)C(C)(C)NC(=O)NCC=C)[C@H]2C1 1115296106 LRKMAMVLXNPIOC-ITGUQSILSA-N 304.394 -0.070 30 20 DBED C[C@H](CN(C)C(=O)CN1CCOCC1)N=c1cc[nH]c(C#N)n1 1115678023 KPXOBOZQMVPSQA-GFCCVEGCSA-N 318.381 -0.639 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)C(=O)NCCCOC(F)F)C1 1118163436 YZPXDCFOUOXVMV-GFCCVEGCSA-N 305.281 -0.391 30 20 DBED C[C@@H](CN(C)C(=O)[C@H]1CC(=O)N(C)C1)N=c1cc[nH]c(C#N)n1 1120863876 HAOWOCXFLVKHRG-QWRGUYRKSA-N 316.365 -0.493 30 20 DBED CC(C)C#CC(=O)NC1CC2(CC(NCC(=O)NC(N)=O)C2)C1 1121077269 NUECMIQSTYSJCW-UHFFFAOYSA-N 320.393 -0.142 30 20 DBED N#Cc1cc(C(=O)NC[C@H](CO)Nc2nccnc2C#N)c[nH]1 1121352934 JASLYNJNUITFLE-LLVKDONJSA-N 311.305 -0.249 30 20 DBED Cc1[nH]ccc1C(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1 1121419445 OSKWOHBOPLLGDX-SNVBAGLBSA-N 300.322 -0.391 30 20 DBED Cc1cc(=N[C@@H](CO)CNC(=O)c2[nH]cnc2C)c(C#N)c[nH]1 1121724515 PQVSWCFAFJCUHY-GFCCVEGCSA-N 314.349 -0.082 30 20 DBED Cc1ncc(CC(=O)NC[C@@H](CO)N=c2cc[nH]c(C#N)n2)o1 1122189703 JDSCIFCGGXUWRO-JTQLQIEISA-N 316.321 -0.802 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)CCc2cnn[nH]2)cn1 1122584661 JXXRHKMVDPFSGM-CYBMUJFWSA-N 315.337 -0.407 30 20 DBED C=C(C)CN(CC)C(=O)[C@H](C)NCCNC(=O)Cn1cnnn1 1123335624 ZDXXLIKYLBBLOF-LBPRGKRZSA-N 323.401 -0.808 30 20 DBED CC[C@@H](C(=O)N(C)C[C@H](O)CN=c1cc[nH]cc1C#N)N(C)C 1124456707 YWZJAGOCVHCQMT-HIFRSBDPSA-N 319.409 -0.053 30 20 DBED CN(C[C@@H](O)CNc1nccnc1C#N)C(=O)Cc1ncc[nH]1 1124481914 AVTQMCYRQPVOPA-JTQLQIEISA-N 315.337 -0.455 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C[C@@H](O)CN=c1cc[nH]cc1C#N 1124520755 WQPHQXFQPFDIBF-JSGCOSHPSA-N 316.361 -0.355 30 20 DBED COC[C@@H](OC)C(=O)N(C)C[C@H](O)CNc1cnc(C#N)cn1 1124722327 XXIBAPUERQCDCW-VXGBXAGGSA-N 323.353 -0.759 30 20 DBED C#CCO[C@@H](C)C(=O)NCCNCc1nnnn1C(C)(C)C 1127039381 IIGJCZOZMZEPOV-NSHDSACASA-N 308.386 -0.328 30 20 DBED C[C@H](C#N)C(=O)NCc1cnn2c1CN(CC(=O)N(C)C)CC2 1128265339 XQUNCSCWRVBTSW-LLVKDONJSA-N 318.381 -0.437 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)c1cnn2c1CCC2 1128930439 BSDCAYIXPWQMIJ-LLVKDONJSA-N 305.382 -0.161 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)c2[nH]c(O)nc2C)C1=O 1129996111 BDVZGCGUEPLPDP-JTQLQIEISA-N 307.354 -0.470 30 20 DBED CC[C@@H](OC)C(=O)NCc1nc([C@H]2COCCN2CC#N)n[nH]1 1130835766 QZTBIRRJJXILOS-GHMZBOCLSA-N 322.369 -0.257 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1ccn2ccnc2c1 1131268212 JSJRNKWNTVOXBX-LBPRGKRZSA-N 313.361 -0.208 30 20 DBED Cc1noc(C2CC2)c1C(=O)NCCNCC(=O)NCC#N 1131441090 HGPKMDGZZMLCLX-UHFFFAOYSA-N 305.338 -0.180 30 20 DBED COCC#CCN[C@@H]1CCO[C@H]1C1CCN(C(=O)C(N)=O)CC1 1131552086 BATMKFYYTVMTKL-KGLIPLIRSA-N 323.393 -0.893 30 20 DBED C=C[C@@](C)(CCOC)C(=O)NCCNCc1nc(=O)n(C)[nH]1 1131867152 KRWFYQDXXOOYOJ-AWEZNQCLSA-N 311.386 -0.457 30 20 DBED C[C@H]1CC[C@@H](NC(=O)C#CC2CC2)CN1CC(=O)NC(N)=O 1132034572 SQFSZAIDMRFICT-CMPLNLGQSA-N 306.366 -0.436 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 1134102753 ZIRZCPXLNDLGAD-UTUOFQBUSA-N 324.381 -0.729 30 20 DBED N#CCNC(=O)CNCCNC(=O)C1CCN(CC2CC2)CC1 1147333673 UEHQCHYMPRKARD-UHFFFAOYSA-N 321.425 -0.546 30 20 DBED C#CCN1CCC2(C1)CN(C(=O)[C@@H](C)NS(=O)(=O)CC)C2 1147611312 UHZGLGBMBQFSGL-GFCCVEGCSA-N 313.423 -0.518 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1ncccc1OC 1149027231 ZBYHEGXHURVRSL-LLVKDONJSA-N 304.350 -0.453 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)NCCNC[C@H]1CCOC1 1152404443 CNRCVRCYLVAUOW-GFCCVEGCSA-N 312.414 -0.008 30 20 DBED C=CCOCC(=O)NCCCNCCNC(=O)NC(C)C 1155712235 JBQFTUPIYXVTET-UHFFFAOYSA-N 300.403 -0.008 30 20 DBED C#CCNC(=O)CC(=O)NCCCNCC(=O)N[C@H](C)CCC 1156852666 JUUBBZJURPMYQJ-CYBMUJFWSA-N 324.425 -0.473 30 20 DBED C#CCNC(=O)CC(=O)NCCCNCC(=O)NC(CC)CC 1156857320 MSEMHLILWAWPPM-UHFFFAOYSA-N 324.425 -0.473 30 20 DBED C=CCNC(=O)CN(C)C[C@H]1CCCCN1C(=O)CNC(C)=O 1157458435 FOQIAWMFNQAEMC-CQSZACIVSA-N 324.425 -0.262 30 20 DBED C#CCO[C@@H](C)C(=O)NCCCNCCN1C(=O)CCC1=O 1157881281 ZKKGYABKQXJAPO-LBPRGKRZSA-N 309.366 -0.730 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)[C@@H]1CC(=O)N(CC)C1 1159275647 FNEOFULDQFGAPE-QWHCGFSZSA-N 322.409 -0.911 30 20 DBED CC(C)[C@H]1OCC[C@H]1C(=O)NCCCNCC(=O)NCC#N 1159605891 BLDAEARGGWXEJV-TZMCWYRMSA-N 310.398 -0.217 30 20 DBED N#CCN1CC=C(CCNC(=O)CC[C@H]2NC(=O)NC2=O)CC1 1161834906 XSFOOHNGYXEBMD-GFCCVEGCSA-N 319.365 -0.363 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)c1cccn(C)c1=O 1171544198 RBYIIGOMHNTXSD-GFCCVEGCSA-N 320.393 -0.215 30 20 DBED C#Cc1ccc(C(=O)NCCCNCCS(C)(=O)=O)nc1 1171585308 PPDUVLHSLFHBIM-UHFFFAOYSA-N 309.391 -0.183 30 20 DBED C[C@H](NS(C)(=O)=O)C(=O)N[C@H](C)CCCCNCC#N 1175454311 YMEHLALZACCEEL-MNOVXSKESA-N 304.416 -0.288 30 20 DBED CC#CCN1CCO[C@H]2CCN(C(=O)CNC(=O)C3CC3)C[C@@H]21 1176936198 DTYNUQTWDCRYGU-GJZGRUSLSA-N 319.405 -0.162 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@H](NCc2cn(C)nn2)[C@@H]1C 1178678886 VJFGPCAHMHCDED-SCRDCRAPSA-N 305.382 -0.068 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@H](NCC(=O)NCC=C)[C@@H]1C 1178679126 ZJQMZYCMSOUKHW-MJBXVCDLSA-N 307.394 -0.094 30 20 DBED C=CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)c2nc[nH]n2)[C@H]1C 1179739938 IMPQPDGPGPIMKU-DCAQKATOSA-N 306.370 -0.312 30 20 DBED C#CCNC(=O)CNC[C@]1(C)CN(C(=O)CC(C)(C)O)C[C@H]1C 1181287643 ZLBBNDXXGABKIH-CXAGYDPISA-N 323.437 -0.029 30 20 DBED C=CCNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)C#CC(C)C)C1 1182389629 UJYSXLBSHUUFQU-CYBMUJFWSA-N 320.393 -0.152 30 20 DBED CC#CCN[C@@H]1CCN(C(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 1184720475 QGMOXNHWJSROJL-LLVKDONJSA-N 314.353 -0.479 30 20 DBED C#CCNC(=O)CNC[C@@H]1CCN(C(=O)CCN(C)C)C[C@@H]1C 1185071957 CDDGWFZQOYTSKV-GJZGRUSLSA-N 322.453 -0.238 30 20 DBED C[C@H]1CN(C(=O)CN2CC(=O)NC2=O)CC[C@@H]1CNCC#N 1185328209 VZXTYMHVDLLEJT-WDEREUQCSA-N 307.354 -0.864 30 20 DBED CC#CCN[C@@H]1CCN(C(=O)CN(C)S(=O)(=O)CC)C1 1186695030 BVKHPOVBQKIIOH-GFCCVEGCSA-N 301.412 -0.518 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@H]2CN(CC(=O)NCC)C[C@H]21 1187882786 VYIAKDWCAKWYPO-HZSPNIEDSA-N 307.394 -0.307 30 20 DBED CN(CC(=O)NCC#N)[C@H]1CCN(C(=O)C[C@H]2CCOC2)C1 1189489277 HZZZQAPNQIQVDR-OLZOCXBDSA-N 308.382 -0.415 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@H](N(C)Cc2nc(=O)n(C)[nH]2)C1 1190096134 XSMSSHBRIAVXEP-RYUDHWBXSA-N 321.381 -0.821 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@@H](N(C)CCn2cncn2)C1 1190107107 ZYCWAYDDUXFMHF-UONOGXRCSA-N 305.382 -0.151 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)Cc2ccsc2)C1 1190758299 RTCOYZTXUUNURZ-CHWSQXEVSA-N 323.418 -0.246 30 20 DBED CC(C)(C)C#CC(=O)N[C@@H]1CN(CCN2CCCC2=O)C[C@H]1O 1192813267 FPFKIKYQYXSUIZ-ZIAGYGMSSA-N 321.421 -0.180 30 20 DBED C#CCCN(C)[C@H]1CCN(C(=O)CN2C(=O)CN(C)C2=O)C1 1193897316 MHPRTNDTRAILNT-LBPRGKRZSA-N 306.366 -0.564 30 20 DBED C=CCNC(=O)[C@H](C)N1CCCN(C(=O)[C@H]2CCNC2=O)CC1 1196724578 KZDVEQSKXUDZJN-STQMWFEESA-N 322.409 -0.653 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)COCCCOC)C1 1197645092 YUUVCEHHWXCSPQ-VXGBXAGGSA-N 306.790 -0.047 30 20 DBED C=CCCNC[C@H]1CN(C(=O)CN2CC(=O)NC2=O)CCCO1 1201649769 SJGAXJUOFSYHIM-LBPRGKRZSA-N 324.381 -0.679 30 20 DBED C=CCCNC[C@@H]1CN(C(=O)CCn2cnnn2)CCCO1 1201710398 BGEUUDRBHJVOFQ-CYBMUJFWSA-N 308.386 -0.154 30 20 DBED CC#CCNC[C@H]1CN(C(=O)c2ccc(=O)n(C)n2)CCCO1 1202006075 MJEDLSYVKSKQNR-ZDUSSCGKSA-N 318.377 -0.376 30 20 DBED C#CCNC[C@H]1CN(C(=O)CNC(=O)[C@H](C)CC)CCCO1 1202088826 XWGGMQLNQFJPJA-KGLIPLIRSA-N 309.410 -0.011 30 20 DBED CC#CCNCC1CCN(C(=O)CNS(=O)(=O)CC)CC1 1205415732 IVSJXYNRMAZZMX-UHFFFAOYSA-N 315.439 -0.223 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC[C@H](NCc2nc(O)n[nH]2)C1 1208025212 IZTGZXFTTSYLJD-QWRGUYRKSA-N 307.354 -0.371 30 20 DBED COC[C@@H](C)CC(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1209895975 HSJXZXFKYZGBQU-YNEHKIRRSA-N 310.398 -0.265 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(CCc2cnn(C)c2)C[C@H]1OC 1212032211 PLTACUUIONBYFA-HUUCEWRRSA-N 322.409 -0.019 30 20 DBED CC/C(C)=C\C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1OC 1212221586 YLOOMHKTIYJIDC-CUOXCHRPSA-N 308.382 -0.202 30 20 DBED C#CCCN1C[C@@H](NC(=O)C(=O)Nc2cc(C)on2)[C@H](OC)C1 1213857190 HOXNFOLOHKEOML-VXGBXAGGSA-N 320.349 -0.240 30 20 DBED C[C@@H]1CN(C(=O)c2cscn2)C[C@H]1NCC(=O)NCC#N 1214315200 CRDBZOJKYZWTQX-NXEZZACHSA-N 307.379 -0.167 30 20 DBED C#CCOCCC(=O)N1CCO[C@@H]2CN(C[C@H]3CCOC3)C[C@@H]21 1217886422 GIMMPAXGIMNHFC-OWCLPIDISA-N 322.405 -0.026 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)C[C@H](C)SC)C1 1219484341 OYAHMNDBBUWEGY-XQQFMLRXSA-N 300.424 -0.061 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(Cc2ncc(C)o2)C[C@@H]1O 1219527276 LCRRHHJHMJCLDP-TYNCELHUSA-N 309.366 -0.029 30 20 DBED C[C@H](C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@@H]1O)C1CCCC1 1220728499 OBGQREPVSBCJBX-YUTCNCBUSA-N 322.409 -0.386 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)Cc3ccc[nH]3)[C@@H]2C1 1222034741 HPVRFTSXDHNVRF-UKRRQHHQSA-N 314.389 -0.161 30 20 DBED N#CCSCC(=O)NCC1CCN([C@@H]2CCNC2=O)CC1 1222419853 HNTOAWZSVNQQRV-GFCCVEGCSA-N 310.423 -0.040 30 20 DBED C#CCN1CCC(CNC(=O)[C@@H](CCC)S(N)(=O)=O)CC1 1223944705 GKEWURLJFKGIQR-CYBMUJFWSA-N 315.439 -0.095 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)CNC(=O)OC)CC1 1226292216 YMQUOCUKIWJEDX-UHFFFAOYSA-N 312.370 -0.775 30 20 DBED N#CCN1CCS(=O)(=O)[C@H](CCNC(=O)c2cnccn2)C1 1230413585 RPUQJFMRVJLYQJ-LLVKDONJSA-N 323.378 -0.781 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)c1cccn1C 1230762008 DTXGKBAORFOPPT-ZDUSSCGKSA-N 302.378 -0.079 30 20 DBED N#CCN1CCC(NC(=O)NCCCN2C(=O)CCC2=O)CC1 1251698179 DSJVZSWUQANAKK-UHFFFAOYSA-N 321.381 -0.187 30 20 DBED C=C[C@@H](COC)NC(=O)N1CCC[C@@H]1CS(=O)(=O)NC 1255014441 XXRFJBTVMZAJII-WDEREUQCSA-N 305.400 -0.089 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CCC(C2OCCO2)CC1 1261154915 VTGZQUBDERWTNJ-GFCCVEGCSA-N 312.366 -0.085 30 20 DBED CN1C(=O)[C@@H]2CN(Cn3nc(CC#N)n(C)c3=S)C[C@@H]2C1=O 1261895196 XXVUDVOMNWVUJJ-DTORHVGOSA-N 320.378 -0.479 30 20 DBED C=CCNC(=O)[C@H](C)N1CC[C@H](NC(=O)c2cn(C)nn2)C1 1267722631 KSOZDWWPPRPAQS-QWRGUYRKSA-N 306.370 -0.690 30 20 DBED N#CCNC(=O)CN1CC[C@@H](NC(=O)c2cn3c(n2)CCC3)C1 1316978204 RVAFOZFHBBDCPG-LLVKDONJSA-N 316.365 -0.727 30 20 DBED CC(C)CNC(=O)CNC(=O)CCN/C(O)=C1\N=CC=CC1=O 1318860620 PHNPGHSTYXFVSJ-CCEZHUSRSA-N 322.365 -0.209 30 20 DBED COc1ncnc(N)c1C=Nn1cnc2c(cnn2C)c1=O 1318908061 DQBCTMMKWOPJCO-UHFFFAOYSA-N 300.282 -0.607 30 20 DBED CCN1CCN(CCCCNC(=O)C(=O)NCCCC#N)CC1 1321524453 DEHZBZGPADWFGG-UHFFFAOYSA-N 323.441 -0.060 30 20 DBED C[C@@H](OC(=O)CC[C@@H]1NC(=O)NC1=O)C(=O)NC1(C#N)CCC1 1321741579 PQVYVLXLWMYPST-BDAKNGLRSA-N 322.321 -0.531 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1C[C@H]2C[C@@]2(CO)C1 1324180683 JGZFZGFQSPSHDC-FOCJUVANSA-N 308.378 -0.075 30 20 DBED CCOC[C@H]1CCN(C(=O)C(=O)NC2CCN(CC#N)CC2)C1 1324434294 NXHKQDCHWNWCCL-ZDUSSCGKSA-N 322.409 -0.024 30 20 DBED N#CCN1CCC(NC(=O)C(=O)NCc2cccc(F)n2)CC1 1326505947 KMJDXPJIECZPDX-UHFFFAOYSA-N 319.340 -0.059 30 20 DBED N#C[C@]1(F)CCN(C(=O)C(=O)NCc2nnc3n2CCC3)C1 1327372017 HGLKBGSBNIHWAY-CYBMUJFWSA-N 306.301 -0.695 30 20 DBED CN1CCC(NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 1327832767 OFIOXDNXQNXTFT-YPKPFQOOSA-N 321.381 -0.094 30 20 DBED CC(=O)N1CC[C@@H](NC(=O)C(=O)NCc2cccc(C#N)c2)C1 1328512797 PPXBTFIZEDPOAW-CQSZACIVSA-N 314.345 -0.089 30 20 DBED CN1CCN(C)[C@H](CNC(=O)C(=O)N2CCC[C@@H](CC#N)C2)C1 1328920726 IIONAASQPAKXMA-UONOGXRCSA-N 321.425 -0.499 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)N2[C@H]3CC[C@H]2COC3)CCN1C1CC1 1329451992 FGIJMXXKPXENAZ-IHRRRGAJSA-N 318.377 -0.425 30 20 DBED CC[C@H](C#N)C(=O)NCCNS(=O)(=O)Cc1ccon1 1329648236 PGHWSUDVTOTQOF-SECBINFHSA-N 300.340 -0.240 30 20 DBED N#Cc1ccc(NCCNCC2(O)CCS(=O)(=O)CC2)nc1 1331962428 GPYKYNKSQLGMQM-UHFFFAOYSA-N 324.406 -0.106 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N1CC(NC(=O)OC)C1 1332837294 KTROVJWWTUWCLU-JTQLQIEISA-N 311.338 -0.902 30 20 DBED C[C@]1(C(N)=O)CCN(C(=O)C(=O)N2CCC[C@@H](CC#N)C2)C1 1333415315 CHIXSJZXTYLELV-NHYWBVRUSA-N 306.366 -0.137 30 20 DBED C#CCN1CCC[C@@H](NC(=O)C(=O)Nc2nc(C)n(C)n2)C1 1334178923 HBKMZRPHCJBSPY-LLVKDONJSA-N 304.354 -0.724 30 20 DBED C=CCC1(O)CCN(c2nnnn2C[C@@H]2CNC(=O)C2)CC1 1334426500 VHAJFDVQYTULNV-NSHDSACASA-N 306.370 -0.283 30 20 DBED CCC1=C(C(=O)C(=O)OC)[C@@H](c2cn(C)nn2)NC(=S)N1 1334709452 ALTVWPHAFHPTNZ-SECBINFHSA-N 309.351 -0.260 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N[C@H](C)c1nnc2n1CCC2 1340334743 GDSTULOVWMMTBR-GFCCVEGCSA-N 313.361 -0.113 30 20 DBED C=CCNC(=O)Cn1nnnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1343874461 IVBUEJNPAXPOGM-LBPRGKRZSA-N 321.385 -0.720 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 1349729956 ROEWVZOUFZAKSE-MXWKQRLJSA-N 316.379 -0.861 30 20 DBED CN(CCC#N)C(=O)CCN1CCCC[C@H]1CS(N)(=O)=O 1364486433 VINDJICWOAVSHM-LBPRGKRZSA-N 316.427 -0.108 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H](CNC(=O)c1cc(=O)n(C)cn1)C1CC1 1372405744 LEPGYCYXCARCMP-CABZTGNLSA-N 317.349 -0.435 30 20 DBED C=C(Br)CNC[C@H](O)CNC(=O)c1cn(C)nn1 1379199464 QPKDFSIHBVOXLC-QMMMGPOBSA-N 318.175 -0.596 30 20 DBED C[C@@H](C#N)C(=O)NCCN1CCN([C@H]2CCCN(C)C2=O)CC1 1389412503 SYBZGQXACFJSLG-KBPBESRZSA-N 321.425 -0.499 30 20 DBED CC(=O)N[C@@H](C)C(=O)NC[C@H](O)CNCc1ccc(C#N)cc1 1392351401 NIIPYVIJEGNGCQ-XHDPSFHLSA-N 318.377 -0.350 30 20 DBED COCCN(CCNC(=O)[C@@H]1CC(=O)N(C)C1)C(=O)[C@H](C)C#N 1405761908 VFTLCLNWOLKCJE-VXGBXAGGSA-N 324.381 -0.784 30 20 DBED C=C(Cl)CNC[C@@H](C)NC(=O)CN1CCC(=O)NC1=O 1406418106 AWTKERFWWMBMDY-SECBINFHSA-N 302.762 -0.225 30 20 DBED CC(C)S(=O)(=O)CC(=O)N(C)CCN(C)C(=O)[C@@H](C)C#N 1410003074 XGRAUIZAFWAXLH-NSHDSACASA-N 317.411 -0.114 30 20 DBED Cc1cc(C#N)cnc1C(=O)NC[C@@]1(O)CCS(=O)(=O)C1 1412968888 KNYMXEMALTWZSE-ZDUSSCGKSA-N 309.347 -0.459 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CN(C)C(=O)CN1CCCCC1=O 1413305429 ZAGCJUCOEAWZGJ-NEPJUHHUSA-N 324.381 -0.906 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CCC(=O)NC1)NC(=O)c1cc(C#N)c[nH]1 1415206979 YTBDGQKSGWYWQB-GXSJLCMTSA-N 317.349 -0.353 30 20 DBED Cc1ncsc1CNC(=O)Cn1cc(C#N)c(O)nc1=O 1417639760 NPTODVKZBDZMKD-UHFFFAOYSA-N 305.319 -0.098 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1cn(C)nc1C1CC1 1433294347 LKIDSZKJXVUBTE-ONGXEEELSA-N 319.365 -0.336 30 20 DBED CNC(=O)NCC(=O)N1CC[C@](C)(CNC(=O)[C@H](C)C#N)C1 1434239228 GBSBHJQNSSZDBD-QMTHXVAHSA-N 309.370 -0.570 30 20 DBED CO[C@@H]1C[C@@H](NC(=O)Cn2cc(C#N)c(O)nc2=O)C1(C)C 1445267131 YXGDHFYQGDKFLG-NXEZZACHSA-N 306.322 -0.250 30 20 DBED Cc1cc(OCC(=O)NC[C@H](O)CNC(=O)[C@H](C)C#N)no1 1452371879 KGQHOFVXFQHDRF-SCZZXKLOSA-N 310.310 -0.885 30 20 DBED CNC(=O)NCC(=O)N1CCC[C@H]1CN(C)C(=O)[C@@H](C)C#N 1486554912 GFGLHCSYKCABLC-QWRGUYRKSA-N 309.370 -0.476 30 20 DBED COCCN(CCNC(=O)c1cnn(C)c1N)C(=O)[C@@H](C)C#N 1488534295 YNOKLXUPWWEGRZ-JTQLQIEISA-N 322.369 -0.633 30 20 DBED C=C(Cl)CN1CC[C@](O)(CNC(=O)CN2CCCC2=O)C1 1500631115 IGPPOENPCXYPMB-AWEZNQCLSA-N 315.801 -0.086 30 20 DBED CC(C)(C)C(=O)C(=O)N1CCC[C@@H]1CNCC(=O)NCC#N 1568135230 JIKJWFRUMBPFMF-LLVKDONJSA-N 308.382 -0.178 30 20 DBED C[C@@H](CS(C)(=O)=O)N(C)c1cnc(-c2nn[nH]n2)c(C#N)n1 1575185034 JXULRZXPVYIGMJ-ZETCQYMHSA-N 322.354 -0.602 30 20 DBED C#CCC1(NC(=O)[C@@H]2CCCN(CC(=O)O)C2=O)CCOCC1 1588391147 BNTJVRFHAUOOOK-LBPRGKRZSA-N 322.361 -0.002 30 20 DBED C#CC[C@@H](NS(=O)(=O)c1n[nH]c(C)c1C(=O)OC)C(=O)O 1588423722 OUPNWWKNNSVVPV-SSDOTTSWSA-N 315.307 -0.740 30 20 DBED C=C(CCC(=O)O)C(=O)N1CCC[C@@H](CS(N)(=O)=O)C1 1588614445 VFDAROXEBRLZCG-SNVBAGLBSA-N 304.368 -0.066 30 20 DBED Cn1cc([C@@H]2C[C@H](C(=O)O)CN(CC(=O)NCC#N)C2)cn1 1594537964 JXNDOJBCIRVDTB-MNOVXSKESA-N 305.338 -0.450 30 20 DBED N#CCN1CCOC2(CCN(C(=O)[C@H]3C[C@H]3C(=O)O)CC2)C1 1601074766 PVSPDBCSDHDEMU-NWDGAFQWSA-N 307.350 -0.076 30 20 DBED C#CC[C@@H](COC)NC(=O)C(=O)N[C@@H]1C[C@@H]2C[C@@H](C(=O)O)C[C@@H]21 1602682741 DXFDPFLBNPNONW-FPYNETTCSA-N 322.361 -0.244 30 20 DBED C#CCN(C(=O)C(=O)Nc1cnn(CC(=O)O)c1C)C1CC1 1602711490 JDHRFPVLGKMNJA-UHFFFAOYSA-N 304.306 -0.161 30 20 DBED C=CC[C@H](CO)NCc1cnc2c(-c3nn[nH]n3)cnn2c1 1602816896 WMSXAAAGZPZLLD-SNVBAGLBSA-N 300.326 -0.064 30 20 DBED COCCN1CC[C@H](Nc2cnc(C#N)c(-c3nn[nH]n3)n2)C1 1605105348 WNOIWNZIYCQZOG-VIFPVBQESA-N 315.341 -0.339 30 20 DBED CN(CCNS(=O)(=O)c1ccc(C#N)cc1F)CC(=O)O 1606132907 IMQTXLDTFDAPAY-UHFFFAOYSA-N 315.326 -0.008 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(CCNC(=O)C2(C)CC2)CC1 1752365570 CXWSVKLQRGUUPT-CQSZACIVSA-N 320.437 -0.342 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@H]1C[C@H](NC(=O)c2cnn(C)c2)C1 1752611962 DCPWZMSHRVFMBT-RAIGVLPGSA-N 305.382 -0.039 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H](C)CNC(=O)c1cnc2n1CCC2 1752879158 UZDXZRIPUOQGFY-NEPJUHHUSA-N 317.393 -0.325 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@H](C)CCNC(=O)c1cn(C)nn1 1753004887 RJCUNZWIVNBDCN-GHMZBOCLSA-N 308.386 -0.396 30 20 DBED CNS(=O)(=O)CC(=O)N1CCC([C@@H](C)NCC#N)CC1 1753282270 CDNJFPBONILIIB-SNVBAGLBSA-N 302.400 -0.724 30 20 DBED C#CCO[C@H](C)C(=O)NCC1CN(Cc2ncnn2CCF)C1 1753403521 YLJOGUQWKXWNJU-GFCCVEGCSA-N 323.372 -0.166 30 20 DBED C#CCNC(=O)CN1CC[C@@H](N(C)C(=O)CCCC(=O)NC)C1 1753434382 CVHBBQWHHAFONQ-CYBMUJFWSA-N 322.409 -0.815 30 20 DBED COCC#CCN1CCO[C@@H](CNC(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1753652466 IZJPKDFNTPTXQD-BYNSBNAKSA-N 308.378 -0.654 30 20 DBED N#CCNC(=O)CNC/C=C/CNC(=O)c1ccnc(F)c1 1754100378 SVFTVSHOSNWQSM-OWOJBTEDSA-N 305.313 -0.264 30 20 DBED C[C@@H](CN(C)CC(=O)NCC#N)NC(=O)CCc1cncnc1 1754319830 OURXBNMSKYEJFC-LBPRGKRZSA-N 318.381 -0.515 30 20 DBED CC#CCN1CC(O)(CNC(=O)[C@H]2CCc3nnc(C)n3C2)C1 1754778711 HAHXSSVNKIXXDX-ZDUSSCGKSA-N 317.393 -0.665 30 20 DBED C[C@H](NCC#N)[C@@H]1CCN(C(=O)CN2CCC(=O)NC2=O)C1 1754803529 DMIUTCLHPBBBSO-WDEREUQCSA-N 307.354 -0.722 30 20 DBED COCC#CCNCCN(CCO)C(=O)c1ncccc1O 1754880610 GZMWAHALZDZILP-UHFFFAOYSA-N 307.350 -0.539 30 20 DBED C=CCNC(=O)CNC1(CNC(=O)C[C@@H]2CCNC2=O)CCC1 1754981644 ADZMSDWDOFLBHT-LBPRGKRZSA-N 322.409 -0.557 30 20 DBED CC(C)C#CC(=O)N1CCO[C@@H](CNCC(=O)NCC#N)C1 1755002071 KEHXEBXAQWHSTL-ZDUSSCGKSA-N 306.366 -0.897 30 20 DBED C=CCNC(=O)CN1CCC(CO)(NC(=O)C#CC2CC2)CC1 1755177404 OZBQQBJXQXDKAO-UHFFFAOYSA-N 319.405 -0.355 30 20 DBED C#CCOCCC(=O)N1CCC[C@H]1CN(C)[C@H]1CCNC1=O 1755193098 RLZHUEGALJNJPR-KBPBESRZSA-N 307.394 -0.162 30 20 DBED N#CCNC(=O)CNCC1CC(NC(=O)[C@@H]2CCCOC2)C1 1755207173 QJAGYSPGYKODGY-OTTFEQOBSA-N 308.382 -0.463 30 20 DBED C#Cc1cncc(C(=O)N[C@@H](C)[C@@H](C)NCc2nnnn2C)c1 1755252993 NRMUYXWWBCQMMR-MNOVXSKESA-N 313.365 -0.117 30 20 DBED C=CCN1CCO[C@@]2(CCN(C(=O)CS(=O)(=O)CC)C2)C1 1755403041 FVGGOLBIPYZONP-AWEZNQCLSA-N 316.423 -0.090 30 20 DBED COCC#CCN1C[C@H]2[C@H](CNC(=O)Cc3ccn(C)n3)[C@H]2C1 1755424421 YVJFTIYNCNXKFU-PHZGNYQRSA-N 316.405 -0.094 30 20 DBED CN(C(=O)CCCn1c(O)nnc1O)[C@H](CNCC#N)C1CC1 1755561622 XWMZWKOAFJOJAR-LLVKDONJSA-N 322.369 -0.180 30 20 DBED C=CCNC(=O)CN[C@@H]1C[C@H](C)N(C(=O)c2nccnc2N)C1 1755675318 XLWFHSWUPFWGJY-WDEREUQCSA-N 318.381 -0.446 30 20 DBED C=CCCOCC(=O)N(C)[C@@H](C)CNC(=O)c1nnn(C)n1 1756057526 CHFAKLQKVQEGBJ-JTQLQIEISA-N 310.358 -0.621 30 20 DBED C=C[C@@](C)(O)CC(=O)NC1(CCO)CN(C(=O)[C@@H](C)OC)C1 1756080468 WCMFBTINDVZVLN-BXUZGUMPSA-N 314.382 -0.572 30 20 DBED CC(C)C#CC(=O)NC[C@H]1C[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 1756264491 RBZXKSLKLFLITN-LPWJVIDDSA-N 305.378 -0.222 30 20 DBED C=CCOCC(=O)NC[C@H](CO)NC(=O)c1ccncc1F 1756517281 FHUJLRPVOCHYLZ-SNVBAGLBSA-N 311.313 -0.370 30 20 DBED C=CCOCC(=O)NC[C@H](CO)NC(=O)c1cnnc(C)c1 1756519186 SLHJEAPMVCYPKK-GFCCVEGCSA-N 308.338 -0.805 30 20 DBED COCCN(CCNC(=O)[C@H]1C[C@H]1C(N)=O)C(=O)C#CC1CC1 1756729478 RBHJLSHNXLJCFD-OLZOCXBDSA-N 321.377 -0.888 30 20 DBED C=CCOCC(=O)N1CC=C(CNC(=O)c2cnn[nH]2)CC1 1756774529 XFNQRFCGCZPONW-UHFFFAOYSA-N 305.338 -0.104 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(C(=O)c2ncccn2)C[C@@H]1O 1757171609 YSFJDGFRQARJNY-NEPJUHHUSA-N 302.334 -0.563 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1C[C@@H](CNC(=O)c2ccc[nH]2)C1 1757310975 RWEAIOKJVINTAX-TXEJJXNPSA-N 316.361 -0.221 30 20 DBED CCO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1CNC(=O)CC(=O)NC 1757392812 SGUGOBKJFAFPTH-QJPTWQEYSA-N 324.381 -0.738 30 20 DBED C=CCOCC(=O)N1CC[C@H](NC(=O)c2cccnc2)[C@H](O)C1 1757558512 DCWWMFSKEDGZBN-UONOGXRCSA-N 319.361 -0.024 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)CCC(=O)OC)CCO2 1783049591 GSRJMVLMPHWKLN-OAHLLOKOSA-N 308.334 -0.597 30 20 DBED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)C(=O)N(C)C)C2 1841599495 SPCKUIVCEUMWMS-GFCCVEGCSA-N 321.377 -0.684 30 20 DBED N#Cc1cccnc1N1CCCN(C(=O)Cn2cnnn2)CC1 56998864 FVQWUMDXFRZNFA-UHFFFAOYSA-N 312.337 -0.321 30 20 DBED CC(C)[C@@H](C#N)N1CCN(C(=O)[C@H](C)NS(C)(=O)=O)CC1 74251253 FFGNYSMZUISLJK-NWDGAFQWSA-N 316.427 -0.384 30 20 DBED N#CCCCCNC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 170902527 ZXMROWQSYCXVBO-AWEZNQCLSA-N 322.409 -0.023 30 20 DBED C=CCNC(=O)NC(=O)CN1CCN(C[C@@H]2CCOC2)CC1 178480637 SIHVYOHVOLLFBL-ZDUSSCGKSA-N 310.398 -0.348 30 20 DBED C#CCN(C)C(=O)c1cc(C)c2c(=O)n(C)c(=O)n(C)c2n1 191143428 YAAMYTYDIQJANG-UHFFFAOYSA-N 300.318 -0.354 30 20 DBED CCN(C)CCN/C(=N/C)N1CCN(c2cnn(C)c2)C(=O)C1 261838011 VYSDUDLUEXTIIE-UHFFFAOYSA-N 321.429 -0.404 30 20 DBED N/C(=N/C[C@@]1(O)CCSC1)N1CCN(c2ncccn2)CC1 262485193 IMHMAORZZRMLQT-AWEZNQCLSA-N 322.438 -0.219 30 20 DBED CNS(=O)(=O)c1ccc(C(=O)N2CCO[C@H](C#N)C2)cc1 264464134 HAVWBNVQEDLUEW-LLVKDONJSA-N 309.347 -0.041 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H](C)C[C@H](C)O)C1=O 265892069 QLSVEECTYUWTTE-UWVGGRQHSA-N 311.338 -0.514 30 20 DBED C=CCN(C(=O)CNC(=O)OCC)[C@@H]1CCS(=O)(=O)C1 270341213 NRQAXRCUNOJHKG-SNVBAGLBSA-N 304.368 -0.066 30 20 DBED N#Cc1cc(Cl)ccc1S(=O)(=O)N1C[C@H](O)[C@@H](O)C1 277593799 WACKIQPZJVXALP-UWVGGRQHSA-N 302.739 -0.062 30 20 DBED CC1(C#N)CN(C(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)C1 280609478 ZICBFPDPTJXLJT-WFFHOREQSA-N 317.345 -0.089 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)OCc2ncnn2CC)C1=O 283776041 MVGZKXFKCMJERM-UHFFFAOYSA-N 321.293 -0.682 30 20 DBED OC1=NCCN(CC/N=C(/O)N[C@@H]2CCc3ncnn3C2)C1 329697616 FHADCWXNCKXOOO-SNVBAGLBSA-N 307.358 -0.631 30 20 DBED C=C(C)CS(=O)(=O)N(C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 331223331 DDFCIPCSJCDNDZ-SNVBAGLBSA-N 324.424 -0.873 30 20 DBED O=C1CCC(=O)N1CC/N=C(/O)N1CCC[C@H](OCCO)C1 331235055 SQHXAEYQRDEIIE-NSHDSACASA-N 313.354 -0.477 30 20 DBED CCNC(=O)N1CCN(S(=O)(=O)N(CC)CCC#N)CC1 336897419 OMAUDGMECGZIOX-UHFFFAOYSA-N 317.415 -0.186 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CCN(C(=O)COC)CC1 336907510 FXPUVTFNOLXWJV-UHFFFAOYSA-N 318.399 -0.743 30 20 DBED COCCOC1CN(S(=O)(=O)N(CCC#N)CCOC)C1 337064088 JCLRLXGMVRIRNE-UHFFFAOYSA-N 321.399 -0.560 30 20 DBED N#C[C@H]1CN(S(=O)(=O)NCCOC(F)(F)F)CCO1 337149035 HPTBSMJOXBGGHU-ZETCQYMHSA-N 303.262 -0.418 30 20 DBED C[C@@H](CNC(=O)C(=O)N1CCC(C#N)CC1)N1CCOCC1 340203717 PBKPPNPQAPKASA-LBPRGKRZSA-N 308.382 -0.415 30 20 DBED C=CCc1ccc(OCC(=O)N[C@@H](CO)C(N)=O)c(OC)c1 341751459 ZTHXWBVBSVNAQK-NSHDSACASA-N 308.334 -0.235 30 20 DBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@H]1COCCO1 342663766 KAWNLRDSELMGSQ-AVGNSLFASA-N 312.366 -0.385 30 20 DBED C=CCSCCNC(=O)CNS(=O)(=O)c1cnn(C)c1 345090213 GGMYQBNSCFDQDV-UHFFFAOYSA-N 318.424 -0.266 30 20 DBED C=CCNC(=O)CNC(=O)Nc1ccc2c(c1)C(=O)NC2=O 346768252 MBNRLLAOEGCDDZ-UHFFFAOYSA-N 302.290 -0.006 30 20 DBED CC[C@@](C)(C#N)C(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 352983549 IOSUONNGFZNUMA-BBRMVZONSA-N 322.409 -0.024 30 20 DBED COC(=O)[C@@H](C)CNC(=O)C(=O)Nc1nn(C(C)C)cc1C#N 359142299 UUAJQLBFLKWEGM-VIFPVBQESA-N 321.337 0.199 30 20 DBED C#CCCN1CCN(C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)CC1 370078486 UAQMCYHOYPTRAX-CYBMUJFWSA-N 315.377 -0.070 30 20 DBED N#CCNC(=O)CNC(=O)N1CCN(c2ccc(F)cn2)CC1 377047044 OMTHSOCXNDIVEK-UHFFFAOYSA-N 320.328 -0.308 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N1CCO[C@H](COC)C1 410908573 IKOMGZYRIMLIKT-LBPRGKRZSA-N 300.355 -0.479 30 20 DBED C#CCN1CCC(C(=O)NCCC(=O)N2CCN(C)CC2)CC1 490650444 NDKRNIJOYNCTGA-UHFFFAOYSA-N 320.437 -0.388 30 20 DBED C#CCN1CCN(C(=O)CN2CCC[C@H](CCC(N)=O)C2)CC1 490781213 YTROKXQOLNHHSV-OAHLLOKOSA-N 320.437 -0.259 30 20 DBED CC(C)(C)OC(=O)NC[C@H]1CN(CC(=O)NCC#N)CCO1 495553721 BDXOSLDKGIHTHT-NSHDSACASA-N 312.370 -0.148 30 20 DBED COC(=O)NCC(=O)N1CCN(c2cnccc2C#N)CC1 495702854 YOWPANIFNWDKJP-UHFFFAOYSA-N 303.322 -0.042 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@]2(C)CO)C1=O 545409286 BESJJGOHGXIPQD-AWEZNQCLSA-N 309.322 -0.663 30 20 DBED COc1cc(C#N)ccc1NC(=O)C(=O)N[C@H]1CCN(C)C1=O 547447246 XHISPMCIHYWXFK-NSHDSACASA-N 316.317 -0.148 30 20 DBED C[C@H](C(=O)NC(N)=O)N1CCN(c2cnccc2C#N)CC1 559259552 GTULXLUARJNIHC-SNVBAGLBSA-N 302.338 -0.341 30 20 DBED N#CCNC(=O)CNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 561467792 JLEXOEJLZXLIPP-LLVKDONJSA-N 300.318 -0.205 30 20 DBED CO[C@@H]1COC[C@H]1NC(=O)C(=O)Nc1cc(C)c(C#N)cn1 572422004 PONYPNAKRVULIK-GHMZBOCLSA-N 304.306 -0.270 30 20 DBED CCN1CCC[C@H]1CN1C[C@H](C(=O)NCC#CCO)CC1=O 577160203 LGDHYCKDUFTNRB-KGLIPLIRSA-N 307.394 -0.569 30 20 DBED CS(=O)(=O)NCCN1CCN(c2cnccc2C#N)CC1 580691149 XHGAIBKSTKTEJG-UHFFFAOYSA-N 309.395 -0.376 30 20 DBED CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC[C@H](O)C(N)=O 590337559 JIQDPFAQNMLDJL-AAEUAGOBSA-N 305.334 -0.076 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H](C(=O)O)[C@H]1CCOC1 593255186 DGOJCGKNHDNDAL-KXUCPTDWSA-N 305.356 -0.598 30 20 DBED Cc1cc(NC(=O)C(=O)N2CCN(C)C(=O)[C@@H]2C)ncc1C#N 594300012 ASGRHSNETWPFNT-JTQLQIEISA-N 315.333 -0.111 30 20 DBED Cc1cc(NCC(=O)N(C)C)c(C#N)c(NCC(=O)N(C)C)n1 596058616 NLPGGCFAPZBDTO-UHFFFAOYSA-N 318.381 0.262 30 20 DBED COC(=O)[C@@H]1C[C@@H](O)CN1C[C@@H](O)COc1ccccc1C#N 599286712 KGZVGPMGPUOOEL-MCIONIFRSA-N 320.345 -0.094 30 20 DBED COC(=O)[C@H](C)CS(=O)(=O)NC1CCN(CC#N)CC1 610701130 AEJAFOHUNYJXDP-SNVBAGLBSA-N 303.384 -0.297 30 20 DBED CS(=O)(=O)N1CC[C@H](CNC(=O)N2CC[C@@](F)(C#N)C2)C1 615547318 FXKTWRZMNLDOOR-ZYHUDNBSSA-N 318.374 -0.085 30 20 DBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCNC(=O)C[C@@H]1C 644844515 ZRTZVTHVZIXQPX-OBJOEFQTSA-N 323.393 -0.179 30 20 DBED CC#CC[C@H](CO)NC(=O)NCCS(=O)(=O)NC(C)(C)C 645181106 QWANCGXHGCWETC-LLVKDONJSA-N 319.427 -0.222 30 20 DBED C=CCOC[C@@H]1NC(=O)N(CC(C)(C)NS(C)(=O)=O)C1=O 672063261 ZQPJBQXZMRUNCB-VIFPVBQESA-N 319.383 -0.563 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC(C(F)F)C2)C1=O 676483477 IMSLJRJWVIANMX-UHFFFAOYSA-N 301.249 -0.313 30 20 DBED CS(=O)(=O)CCNC(=O)CNC(=O)c1ccc(C#N)cc1 726982639 YOTJODBQDWYVBX-UHFFFAOYSA-N 309.347 -0.551 30 20 DBED CCS(=O)(=O)N1CCC[C@@H](C(=O)N(CC#N)CC(=O)O)C1 737222588 DNHBHNBMFTZTMT-SNVBAGLBSA-N 317.367 -0.515 30 20 DBED C#C[C@@H](CC)NC(=O)N1CCN(S(=O)(=O)N(C)C)CC1 753244115 XCPYBVJUOATJDG-NSHDSACASA-N 302.400 -0.468 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCNS(=O)(=O)NC(C)C 760642191 SCXBKSLFOVIOKN-LBPRGKRZSA-N 316.427 -0.967 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NOC[C@H]2CCOC2)C1=O 788275313 URZZGNNGQDEQLC-VIFPVBQESA-N 311.294 -0.953 30 20 DBED C=CCN1CC[C@@H](OC(=O)CCCN2C(=O)CN(C)C2=O)C1=O 798583213 CATRSKZNCZIZLQ-LLVKDONJSA-N 323.349 -0.009 30 20 DBED C=CCN1CC[C@H](OC(=O)Cc2nc3ncccn3n2)C1=O 798595481 MFZVCIPCVSXYKY-JTQLQIEISA-N 301.306 -0.003 30 20 DBED C=CCN1CC[C@H](OC(=O)CCN2CCCS2(=O)=O)C1=O 798599729 KZRLPBYDVDOABI-NSHDSACASA-N 316.379 -0.258 30 20 DBED C[C@@H](C(=O)N(C)CC(=O)[C@@H](C#N)C(=O)NC1CC1)n1cccn1 815908766 IOZMRMOIQMKZJW-CMPLNLGQSA-N 317.349 -0.110 30 20 DBED C=CCCn1cc(C(=O)NS(=O)(=O)[C@@H](C)COC)nn1 820068675 SLSNFFRXDAHIKK-VIFPVBQESA-N 302.356 -0.051 30 20 DBED C[C@H]1CN(C(=O)Cn2cnc(C#N)c2-c2nn[nH]n2)C[C@@H](C)O1 824968088 PCRBOTDGOQQMFM-DTORHVGOSA-N 316.325 -0.429 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)C[C@H](C)COC)CC1 831564735 FNCUSHWQZOTAEH-LBPRGKRZSA-N 317.411 -0.729 30 20 DBED N#C[C@@H]1CNC[C@@H]1NC(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O 834499728 MAIPBNNAGNWEDD-WYUUTHIRSA-N 304.350 -0.611 30 20 DBED CC[C@@H]1COCCN1CCNC(=O)[C@H](C)n1cnc(C#N)n1 874707984 HRTBHKXKOJUYOH-NWDGAFQWSA-N 306.370 -0.062 30 20 DBED C#CCNS(=O)(=O)N1CCN(CC(C)(C)COC)CC1 895923995 YSKCJLJVOPKGNV-UHFFFAOYSA-N 303.428 -0.256 30 20 DBED CN(CCc1cccc(C#N)c1)C(=O)CN1CCNC(=O)C1 913178675 AFJJRQJRKFZNLO-UHFFFAOYSA-N 300.362 -0.009 30 20 DBED CCN(C[C@H](C)C#N)C(=O)COC(=O)[C@@H](C)S(C)(=O)=O 919350479 ZIRPCSHSCOCOKZ-NXEZZACHSA-N 304.368 -0.029 30 20 DBED Cc1nc(N2CCN([C@@H](C)C(=O)N(C)CCC#N)CC2)n[nH]1 931624585 KRHCWNDJWSWSCF-NSHDSACASA-N 305.386 -0.004 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1cnc(O)n1C 937545065 DPAOTUQSNNLPDW-UTLUCORTSA-N 303.322 -0.289 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[C@H](NC(=O)C(N)=O)CC1 943728985 KRYUBZKUCGSCGK-AVGNSLFASA-N 320.393 -0.887 30 20 DBED N#CCN1C[C@H]2CCN(C(=O)Cn3cnnc3O)CC[C@H]2C1 946552582 IUQAGMXBBIZDRC-TXEJJXNPSA-N 304.354 -0.322 30 20 DBED C[C@H](C#N)C(=O)N1CCC(NC(=O)C[C@@H]2CCC(=O)N2)CC1 948099174 QSXFXSPBNDYNLQ-PWSUYJOCSA-N 306.366 -0.078 30 20 DBED N#CCN1CCOC2(CCN(C(=O)[C@H]3COCCO3)CC2)C1 949306104 RXUSBEFHHRXAFR-CYBMUJFWSA-N 309.366 -0.381 30 20 DBED C#CCN1CCOC2(CCN(C(=O)[C@H]3CCN(C)C3=O)CC2)C1 949441027 KZMKXQHPFWZDMS-AWEZNQCLSA-N 319.405 -0.209 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(CC)C1CN([C@H]2CCNC2=O)C1 950533444 FVMLZDSKRGFARH-GJZGRUSLSA-N 318.421 -0.495 30 20 DBED C=C(C)CN1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)CC1 951166872 UIUOOPMDUAUKBS-UHFFFAOYSA-N 306.366 -0.582 30 20 DBED C[C@H](C#N)C(=O)N1[C@H]2CCC[C@H]1CN(C(=O)c1nnn(C)n1)C2 952769533 ZZRQKUVILXYFJB-VWYCJHECSA-N 317.353 -0.425 30 20 DBED C[C@H](C#N)C(=O)N1CCC(N(C)C(=O)[C@@H]2CNC(=O)N2)CC1 954244936 BOWNAIZZLWGFDT-KOLCDFICSA-N 307.354 -0.723 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(N(C)C(=O)Cn2cncn2)CC1 954803499 VKDDCFLBQNENBD-NSHDSACASA-N 304.354 -0.113 30 20 DBED C=C1CC(C)(C(=O)N(C)C2CN(C(=O)Cn3ncnn3)C2)C1 955255956 PYCZIMAWDOANOR-UHFFFAOYSA-N 304.354 -0.301 30 20 DBED N#CCN1CCN(C(=O)COc2cccc(C(N)=O)c2)CC1 957760872 DTBOXSDKWDAUMU-UHFFFAOYSA-N 302.334 -0.168 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@@H](CNC(=O)c2nccnc2N)C1 957940620 UJUGGECEMUHYPT-VHSXEESVSA-N 311.773 -0.166 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](CNC(=O)c2ccc3nn[nH]c3n2)C1 958121864 MXGAWKKGXSJOJW-ZWNOBZJWSA-N 316.365 -0.049 30 20 DBED C#CCCN1C[C@H](CNC(=O)c2cc3n(n2)CCC3)[C@@H](O)C1 958125800 CFCYOIQEDJKXLH-WFASDCNBSA-N 302.378 -0.125 30 20 DBED C#CCCN1C[C@H](O)[C@H](CNC(=O)C2CCN(C(C)=O)CC2)C1 958657896 QDWGFPCKJRRAAH-CVEARBPZSA-N 321.421 -0.323 30 20 DBED CCn1nncc1C(=O)N(C)[C@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1O 958838498 RTCDBDPSXLCQSM-DLOVCJGASA-N 320.353 -0.899 30 20 DBED CN(C(=O)c1cnon1)[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 958932264 LOQDASQIPAHINY-RYUDHWBXSA-N 304.306 -0.873 30 20 DBED CO[C@H]1C[C@H](C(=O)N[C@H]2[C@@H]3CN(CC#N)C[C@@H]32)N(C(C)=O)C1 961359192 PHGFVJZOAVWVNA-ODXJTPSBSA-N 306.366 -0.808 30 20 DBED Cn1nnc(C(=O)NC2[C@H]3CN(Cc4cccc(C#N)c4)C[C@H]23)n1 961530091 PMSAAMBIMMNCHH-STQMWFEESA-N 323.360 -0.058 30 20 DBED C=CCCN1C[C@H]2[C@H](NC(=O)[C@@H]3CCN(C)S3(=O)=O)[C@H]2C1 962011281 PNWOFRQQEKNEBF-QNWHQSFQSA-N 313.423 -0.357 30 20 DBED C[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1NC(=O)c1cnn(C)n1 966403052 VJSDWGLEIJZJOI-GWCFXTLKSA-N 301.350 -0.195 30 20 DBED C#Cc1ccc(C(=O)N2C[C@H](C)[C@H](NC(=O)C(N)=O)C2)nc1 966646680 DHRJMODEWDKWPO-JOYOIKCWSA-N 300.318 -0.875 30 20 DBED C[C@@H](C#N)C(=O)N1CC(N2CCN(C(=O)[C@H](C)C#N)CC2)C1 967245856 VVAZRFUSYPRJTQ-NEPJUHHUSA-N 303.366 -0.339 30 20 DBED O=C1NCC[C@H]1C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC1CC1 968993178 LNTWOEJXIVGXCT-HZSPNIEDSA-N 315.373 -0.262 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@@H]2O)C1 970398801 MZXAUURSPXYXOA-KXNHARMFSA-N 321.377 -0.848 30 20 DBED C#CCN(C)[C@H]1CCN(C(=O)c2ccc(S(N)(=O)=O)o2)C1 971862044 XJHCXCWAOOLCEC-JTQLQIEISA-N 311.363 -0.294 30 20 DBED C=CCCN1CCO[C@@]2(CCN(C(=O)CCn3cnnn3)C2)C1 972612778 WOVSMFCGHQEUGE-HNNXBMFYSA-N 320.397 -0.057 30 20 DBED C#CCCN1C[C@@H](NC(=O)Cn2ncn(C)c2=O)C(C)(C)C1 974753834 GEEWGNODYQAOLZ-GFCCVEGCSA-N 305.382 -0.568 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)[C@H]3CCCC(=O)N3C)[C@H]2C1 976974757 NFDMLXWTISOWQM-DIACKHNESA-N 318.377 -0.270 30 20 DBED C=C(C)CCN1C[C@@H]2C(CNC(=O)[C@@H]3CC(=O)NC(=O)N3)[C@H]2C1 978809376 MGRUTQLYYPYWBW-UPJWGTAASA-N 320.393 -0.155 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCCN(Cc3nnn(C)n3)C2)C1 981671722 FWIRNAVYGNUEFZ-NSHDSACASA-N 303.370 -0.206 30 20 DBED C#CCCN1CCCN(C(=O)c2cnc(O)n(C)c2=O)CC1 981739224 IQTOEMFZUZLRHN-UHFFFAOYSA-N 304.350 -0.343 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H]1CCCN(C(=O)C(N)=O)C1 984576854 IMNKRJUENBGCFY-XQQFMLRXSA-N 323.393 -0.098 30 20 DBED C[C@H]1[C@@H](NCC#N)CCN1C(=O)Cn1nc2ccccn2c1=O 986626667 YIXADGNZXIMIJM-RYUDHWBXSA-N 314.349 -0.401 30 20 DBED C[C@H]1C[C@H](NCC#N)CN1C(=O)Cc1ccc(C(N)=O)nc1 989034757 GNJQEQHLASFING-JQWIXIFHSA-N 301.350 -0.174 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(NC(=O)[C@@H]2COC(=O)N2)C1 991120901 LHUFBTWUACTAGD-SRVKXCTJSA-N 323.349 -0.597 30 20 DBED N#Cc1cc(C(=O)N2CC[C@@H](NC(=O)C3CC3)[C@@H](O)C2)c[nH]1 991190267 LOCFTVQYGGCQHN-OLZOCXBDSA-N 302.334 -0.012 30 20 DBED C[C@H](C#N)C(=O)N1CC(NC(=O)Cc2nc(C3CC3)nn2C)C1 992552842 DPGVAUDYYUCSTF-SECBINFHSA-N 316.365 -0.278 30 20 DBED N#CCN[C@@H]1CCC[C@@H]2CN(C(=O)Cn3c(O)nnc3O)C[C@@H]21 992871761 KYQMZHTYPLKSII-OUAUKWLOSA-N 320.353 -0.570 30 20 DBED CN1CCN(CC(=O)N2C[C@@H](NCC#N)C(C)(C)C2)CC1=O 995977596 GQCKYNRTOIVWGS-GFCCVEGCSA-N 307.398 -0.889 30 20 DBED C=CCN1CC[C@@H](N2CCC(NC(=O)c3nc[nH]n3)CC2)C1=O 1003813390 HBIDNSZTAWTTGE-GFCCVEGCSA-N 318.381 -0.214 30 20 DBED NC(=O)c1coc(C(=O)NCC2CN(C(=O)C#CC3CC3)C2)c1 1004386932 PZLDBNTZOCHCGQ-UHFFFAOYSA-N 315.329 -0.020 30 20 DBED C[C@@H](c1nnnn1C)N1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 1010478816 NFNOUCDULNYWRA-ONGXEEELSA-N 314.353 -0.025 30 20 DBED O=C(NC1[C@H]2CN(C(=O)C#CC3CC3)C[C@H]12)c1c[nH]c(=O)cn1 1013672228 MXFYUQHVIUIYES-QWRGUYRKSA-N 312.329 -0.630 30 20 DBED C#Cc1cncc(C(=O)N2C[C@@H](NC(=O)C(N)=O)C[C@@H]2C)c1 1014047390 XSFQFDZNVWRSLO-CABZTGNLSA-N 300.318 -0.733 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)c2c[nH]nc2S(N)(=O)=O)C1 1015682321 RVAGVASFNUYDPO-VIFPVBQESA-N 313.383 -0.563 30 20 DBED C[C@@H]1CC[C@@H](NC(=O)Cn2ncnn2)CN1C(=O)C#CC1CC1 1018170641 BAMVUNYSIYIJIS-DGCLKSJQSA-N 316.365 -0.418 30 20 DBED Cc1nn[nH]c1C(=O)N1CC2(CCN(C(=O)[C@H](C)C#N)C2)C1 1019245917 QHGNHNGUPAOZBE-SECBINFHSA-N 302.338 -0.053 30 20 DBED Cn1cc(C(=O)N2C[C@@H]3CCN(C(=O)C#CC4CC4)[C@@H]3C2)nn1 1021589375 TXFLLYRKLPRQGH-GXTWGEPZSA-N 313.361 -0.099 30 20 DBED Cc1cnn(C)c1C(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1025135652 DKAUIEZVAMDYHT-CHWSQXEVSA-N 316.361 -0.557 30 20 DBED C=CCN[C@@H]1CC[C@H]2CN(C(=O)CN3CC(=O)N(C)C3=O)C[C@@H]21 1026397813 QEIFUWGIWSNUAX-RWMBFGLXSA-N 320.393 -0.107 30 20 DBED C#CCCN1[C@H]2CC[C@H]1CN(C(=O)[C@H]1COCCN1C(C)=O)C2 1029589523 NDDWPJCSHZFAGI-HRCADAONSA-N 319.405 -0.068 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCN([C@H](CC)C(N)=O)C1 1032837185 ZJMDJJXYMPERLA-MCIONIFRSA-N 306.410 -0.462 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)[C@H]1CCN(CC(=O)NC)C1 1033153619 JRKGRUOMWYLKAI-KBPBESRZSA-N 306.410 -0.637 30 20 DBED C=C(C)CN1CC[C@H](N(CC)C(=O)c2cn(CC(N)=O)nn2)C1 1034049277 MTABNHOBGBABCM-LBPRGKRZSA-N 320.397 -0.124 30 20 DBED C#CCCN1CCCC[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)C1 1034485000 CXCYSQIDZNANEV-CYBMUJFWSA-N 320.393 -0.126 30 20 DBED C=CCN1CCO[C@@H](CNC(=O)c2cccn3nnnc23)C1 1035387122 KNKPQGBYOLLSDP-NSHDSACASA-N 302.338 -0.259 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)c2cc(CN(C)C)on2)C1 1035425129 UTERWTZIFLAMKF-ZDUSSCGKSA-N 306.366 -0.200 30 20 DBED C=CCCN1C[C@H]2C[C@H]1[C@H]2NC(=O)c1cn(C)c(=O)n(C)c1=O 1037608525 YGAZUHTUYSXKDG-WXHSDQCUSA-N 318.377 -0.537 30 20 DBED CCCN(C)CCC(=O)NC[C@]1(O)CCN(C(=O)[C@H](C)C#N)C1 1040447309 QBPRWUXKXUQWKM-CZUORRHYSA-N 324.425 -0.042 30 20 DBED Cc1cc(C(=O)N2CC[C@](O)(CNC(=O)[C@H](C)C#N)C2)nn1C 1040762766 LEADXQSYCQEWAK-BMIGLBTASA-N 319.365 -0.419 30 20 DBED Cc1[nH]ccc1C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1O 1040954806 AAQAKWYGDIGVQE-CHWSQXEVSA-N 312.333 -0.036 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)CCc2ncc[nH]2)C1 1041956486 NMMGYBOEPYVPDH-UHFFFAOYSA-N 306.366 -0.002 30 20 DBED CO[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1NC(=O)c1cnco1 1042938736 SXMGSLFJGMVMDF-ZYHUDNBSSA-N 314.305 -0.030 30 20 DBED C[C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1N=c1cc[nH]c(C#N)n1 1043344442 ZCXXTGTUCICGBI-GHMZBOCLSA-N 312.337 -0.679 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CN(CCN2CCNC2=O)C1 1043924134 SIOQTAYPCFFIHB-KGLIPLIRSA-N 322.409 -0.255 30 20 DBED Cc1cnn(CC(=O)N2CC(O)(CNC(=O)[C@@H](C)C#N)C2)c1 1045540142 DDVLAJYDVNYTHO-NSHDSACASA-N 305.338 -0.959 30 20 DBED N#CCN1[C@H]2CC[C@H]1CN(C(=O)Cn1c(O)nnc1O)CC2 1045883679 UCRKJCNFBLMSKP-UWVGGRQHSA-N 306.326 -0.722 30 20 DBED CNC(=O)CN1CC[C@H](N2CCN(C(=O)C#CC3CC3)CC2)C1 1046028073 XMBAINUTZCWQBX-HNNXBMFYSA-N 318.421 -0.636 30 20 DBED C#CCN1CC[C@H](N2CCN(C(=O)c3cnnn3CC)CC2)C1 1046028911 IXNHOMZSAWXQIN-AWEZNQCLSA-N 316.409 -0.237 30 20 DBED C=C(C)CN1C[C@H](O)[C@@H](N(C)C(=O)c2cn(CCOC)nn2)C1 1047378982 UNRFFVNPXVVKPQ-KBPBESRZSA-N 323.397 -0.382 30 20 DBED C=C(C)CN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)N2C(=O)CCC2=O)C1 1047401010 YOZSLQPTWYJJJH-AGIUHOORSA-N 323.393 -0.397 30 20 DBED C=C1CCC(C(=O)N(C)[C@H]2CN(CC(=O)NC)C[C@@H]2O)CC1 1047512514 SJJBGRWDACVYIA-KBPBESRZSA-N 309.410 -0.018 30 20 DBED CN(C(=O)CSCC#N)[C@H]1CN(C(=O)c2ccon2)C[C@@H]1O 1048301721 IFDXVSMUOYVOJQ-QWRGUYRKSA-N 324.362 -0.425 30 20 DBED C=CCCC(=O)N(C)[C@H]1CN(C(=O)c2cc[n+]([O-])cc2)C[C@@H]1O 1048507099 ZYJJWWZBOHFEBH-KBPBESRZSA-N 319.361 -0.070 30 20 DBED C#CCN1C[C@H]2CN(C(=O)[C@@H]3CCCCS3(=O)=O)C[C@H]2C1 1048858651 QDWXJODJLFJLRG-MJBXVCDLSA-N 310.419 -0.023 30 20 DBED C=CCN1C[C@H]2CN(C(=O)c3cn(C)c(=O)n(C)c3=O)C[C@H]2C1 1049098090 HLLPKDWTVJJKLE-TXEJJXNPSA-N 318.377 -0.726 30 20 DBED C#CCCN1CC[C@H]2[C@H]1CCCN2C(=O)CN1CCOCC1=O 1049521192 GXGIROCBZNPKTL-CABCVRRESA-N 319.405 -0.066 30 20 DBED C[C@@H]1[C@@H](NC(=O)[C@H]2COC(=O)N2)CCN1c1ccc(C#N)nn1 1050215321 OWLOPHTWAJIQQR-DVVUODLYSA-N 316.321 -0.460 30 20 DBED N#CCN1CCC[C@@H](NC(=O)[C@@H]2Cc3cncn3C(=O)N2)CC1 1052584206 OZLTUUOKOGVTSQ-YPMHNXCESA-N 316.365 -0.140 30 20 DBED C#CCN1CCC(N2[C@H]3CC[C@H]2CN(C(=O)CC(N)=O)C3)CC1 1052987341 JWZMDJPOCNZXTI-GJZGRUSLSA-N 318.421 -0.365 30 20 DBED C#CCN1CCC(N2[C@H]3CC[C@H]2CN(C(=O)C(N)=O)C3)CC1 1052990559 FOZCJACVOCKYHG-KBPBESRZSA-N 304.394 -0.756 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)[C@@H]1COCCN1CC)CCO2 1053320897 NKLGXVUYSDGARB-HNNXBMFYSA-N 321.421 -0.356 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)C[C@H]3CCNC3=O)CO2)C1 1053827695 GKIMRAJBNPAKDP-OLZOCXBDSA-N 305.378 -0.505 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)c3ccc(C(N)=O)o3)CO2)C1 1053863322 KXUZIVCROACSLK-NSHDSACASA-N 317.345 -0.025 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2COC3(C2)CN(CCO)C3)c1 1053918586 QKMQAUMGKVLVJV-AWEZNQCLSA-N 301.346 -0.372 30 20 DBED C=CCn1cc(C(=O)N[C@]2(CO)CCCN(C(C)=O)C2)nn1 1055950399 AMMIQPOOEGDVHW-CQSZACIVSA-N 307.354 -0.433 30 20 DBED Cc1n[nH]cc1C(=O)N[C@]1(CO)CCCN(C(=O)[C@@H](C)C#N)C1 1056033946 RHWNBRLMQJHWAY-ZUZCIYMTSA-N 319.365 -0.039 30 20 DBED N#Cc1cncc(N2C[C@H]3[C@H](NC(=O)C4=COCCO4)[C@H]3C2)n1 1056099399 FIWIIFWZJJYUBG-YABSGUDNSA-N 313.317 -0.213 30 20 DBED CN1CC[C@H](C(=O)N2CC[C@@H](Nc3cnc(C#N)cn3)C2)C1=O 1056752816 LNVXYDJLAUURNF-PWSUYJOCSA-N 314.349 -0.161 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)Cn1cc(C)cn1 1057116251 VXCAFFRCXJMNGP-UHFFFAOYSA-N 320.393 -0.068 30 20 DBED O=C(COCC1CC1)NCCN(CCO)C(=O)C#CC1CC1 1057531762 YGCMKXOLJZFVSX-UHFFFAOYSA-N 308.378 -0.237 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)[C@@H]1C[C@@H](C)CO1 1058331276 INYYPFFHDMRPLI-OLZOCXBDSA-N 314.382 -0.449 30 20 DBED N#Cc1ccc(N2CC[C@H](NC(=O)C[C@@H]3CCC(=O)N3)C2)nn1 1058396889 XDIBJCBTFFGNOC-JQWIXIFHSA-N 314.349 -0.288 30 20 DBED C[C@@]1(C(=O)N[C@H]2C[C@H](N=c3cc[nH]c(C#N)n3)C2)CNC(=O)C1 1059355192 HWVOQIXUQLHZHU-YHAQOWFVSA-N 314.349 -0.645 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](CCNC(=O)C2CC2)C1 1059501812 DGDSXOSMSAQEMP-LBPRGKRZSA-N 305.378 -0.109 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@H](CCNC(=O)C(N)=O)C2)nc1 1060026876 PLEAZJUYVSIBQE-LBPRGKRZSA-N 314.345 -0.483 30 20 DBED C#Cc1cncc(C(=O)NCC[C@@H]2CCN(C(=O)C(N)=O)C2)c1 1060275985 VQFLVGWFMUBJGO-GFCCVEGCSA-N 314.345 -0.483 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(CC1)CN(C(=O)CCNC(N)=O)C2 1061007080 PGFXCJGDQSGZSF-NSHDSACASA-N 321.381 -0.345 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)Cn1cccn1 1061284819 XCCURTKVGZOIGI-RYUDHWBXSA-N 305.338 -0.614 30 20 DBED C=CCOCC(=O)NC[C@H]1COCCN1C(=O)c1ncc[nH]1 1061423745 MYZCBZUAGDDFJZ-NSHDSACASA-N 308.338 -0.431 30 20 DBED C=CCCOCC(=O)N1CCOC[C@@H]1CNC(=O)c1ncc[nH]1 1061558735 UJLVDONALBRPEP-LBPRGKRZSA-N 322.365 -0.040 30 20 DBED C[C@H](C#N)C(=O)N1CCCC[C@@H]1CNC(=O)CCn1cnnn1 1062333346 NUJIAVNAAGMIBM-VXGBXAGGSA-N 319.369 -0.280 30 20 DBED C=CCOCC(=O)NC1(CNC(=O)C2CN(C(C)=O)C2)CCC1 1062855971 YXRQCYXFMRCBDC-UHFFFAOYSA-N 323.393 -0.178 30 20 DBED N#Cc1ccc(NC[C@H]2CCCN2C(=O)[C@@H]2CNC(=O)N2)nn1 1063552455 IPAHRUCRNUCHIY-MNOVXSKESA-N 315.337 -0.567 30 20 DBED C#CCO[C@H](C)C(=O)N1CCO[C@H](CNC(=O)c2cn[nH]c2)C1 1065151807 DLIXMWMATTUIQV-DGCLKSJQSA-N 320.349 -0.595 30 20 DBED C[C@H](Nc1cnc(C#N)cn1)[C@@H]1CCN(C(=O)CC(N)=O)C1 1065681044 SFIWSYDKVBVAKH-VHSXEESVSA-N 302.338 -0.127 30 20 DBED Cc1cc(C#N)nc(N2CC[C@H]3[C@H]2CCCN3C(=O)C(N)=O)n1 1066183379 PFCXXKIWOIBLQT-NEPJUHHUSA-N 314.349 -0.288 30 20 DBED Cn1cnc(C(=O)NCC2[C@@H]3CN(c4cncc(C#N)n4)C[C@@H]23)n1 1068170929 OWOLPQNZMNJWKK-RYUDHWBXSA-N 324.348 -0.411 30 20 DBED C=CCC1(C(=O)N2CCOC3(CN(C(=O)C(N)=O)C3)C2)CCC1 1068457640 ZTXLECATYYCZFR-UHFFFAOYSA-N 321.377 -0.342 30 20 DBED C=CCCC(=O)N1CC2(C[C@@H](NC(=O)[C@H](C)NC(N)=O)CO2)C1 1068826330 GHMUPEGJUAAYTR-WDEREUQCSA-N 324.381 -0.505 30 20 DBED C=CCCC(=O)N1CC2(C[C@H](NC(=O)[C@H]3COC(=O)N3)CO2)C1 1068842101 GAHHMNIGWLSSJS-WDEREUQCSA-N 323.349 -0.453 30 20 DBED CCc1nc(C#N)cc(NC2CC(N(C)C(=O)C(N)=O)C2)n1 1069791658 ZRULMHXSCXHYSH-UHFFFAOYSA-N 302.338 -0.203 30 20 DBED C#CCN1CCn2ncc(CNC(=O)[C@@H]3CCNC3=O)c2C1 1069869815 DZSOZJYRRQXINB-GFCCVEGCSA-N 301.350 -0.916 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@]2(F)CCOC2)C1 1070006111 DOSRDBUYOGOETF-MBNYWOFBSA-N 309.345 -0.066 30 20 DBED COCC(=O)NCC1(NC(=O)c2ccc(C#N)[nH]2)CCOCC1 1070077797 OQYYFPFTHVZKIW-UHFFFAOYSA-N 320.349 -0.072 30 20 DBED C=C(C)CN[C@@H]1CN(C(=O)Cc2nc[nH]n2)C[C@@H]1n1ccnn1 1070308780 IAFSNJXIDVBDST-NEPJUHHUSA-N 316.369 -0.444 30 20 DBED C=CCOCC(=O)N1CCC[C@@H](NC(=O)CCn2cncn2)C1 1070553344 KRNQRRBEWRTDQA-CYBMUJFWSA-N 321.381 -0.022 30 20 DBED C[C@H](C#N)C(=O)N1CCC(=O)NCCN(C[C@H]2CCOC2)CC1 1070948238 FDDYWSQXAOLKRK-ZIAGYGMSSA-N 322.409 -0.167 30 20 DBED CC(=O)NCC(=O)N1C[C@@H](NC(=O)CSCC#N)[C@H](C)C1 1071496213 QGOALSXKGJHBFN-MWLCHTKSSA-N 312.395 -0.658 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(C(=O)CNC(C)=O)C[C@@H]1C 1071507601 YYPZSKXAEIAJSO-WCQYABFASA-N 311.382 -0.322 30 20 DBED CC#CCN1C[C@@H](NC(=O)c2cn(CC(N)=O)nn2)CC[C@H]1C 1072099407 QJCCIQUSABGOSQ-NEPJUHHUSA-N 318.381 -0.631 30 20 DBED CC#CCCCC(=O)N[C@@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1C 1072162115 VGNDQLPENLLVFW-QWHCGFSZSA-N 318.381 -0.170 30 20 DBED C=CCCC(=O)N[C@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@@H]1C 1072498936 QBHJLPUPSOBTIM-STQMWFEESA-N 322.409 -0.653 30 20 DBED C=CCOCC(=O)N1CCN(C2CN(C(=O)C(F)F)C2)CC1 1073554528 ZCPIOTYWHVONED-UHFFFAOYSA-N 317.336 -0.191 30 20 DBED C=CCCC(=O)N1CC(N2CCN(C(=O)CC(N)=O)CC2)C1 1073555988 UGQBFWRQHIVMDC-UHFFFAOYSA-N 308.382 -0.817 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H]1CN(CCCO)CCCO1 1073639084 AKDMABDTBLYMRU-HOTGVXAUSA-N 323.437 -0.327 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(C(=O)Cn2cnnn2)C[C@@H]1C 1073818427 ZNSHYTFNFDLFDW-RYUDHWBXSA-N 322.369 -0.771 30 20 DBED C[C@H]1CN(C(=O)CCNC(N)=O)CC[C@@H]1NC(=O)C#CC1CC1 1073950001 YNWLYGTUEBNSMK-AAEUAGOBSA-N 320.393 -0.189 30 20 DBED C=CCOCC(=O)N1CC[C@@H](NC(=O)c2cnn(C)n2)[C@@H](C)C1 1074057080 FVBCEOJMCZEBAV-NWDGAFQWSA-N 321.381 -0.016 30 20 DBED C[C@H](C#N)C(=O)N1CCC(O)(CNC(=O)c2cc[nH]n2)CC1 1074703866 UURKTHYGLDBAMJ-SNVBAGLBSA-N 305.338 -0.347 30 20 DBED CC#CCN1C[C@@H]2CCN(C(=O)CCn3ncn(C)c3=O)[C@@H]2C1 1076082503 NOTVVFJHJLKKBK-UONOGXRCSA-N 317.393 -0.472 30 20 DBED C[C@@H](CCNC(=O)c1ccc(C#N)[nH]1)NC(=O)[C@H]1CCNC1=O 1076183349 VXFZKLLBOKXOLZ-ONGXEEELSA-N 317.349 -0.353 30 20 DBED C#CCN1C[C@@H]2CCN(C(=O)C3CC4(C3)NC(=O)NC4=O)[C@@H]2C1 1076350528 ATGDOGMMRMIIQX-BYHRKAOISA-N 316.361 -0.860 30 20 DBED C[C@@H](CCNC(=O)C[C@@H]1NC(=O)NC1=O)NC(=O)C#CC1CC1 1077120877 VPPDEPUSFOOUAV-ONGXEEELSA-N 320.349 -0.991 30 20 DBED CCOc1cccc(CC(=O)N[C@@H]2CN(CC#N)C[C@H]2O)n1 1077422712 MWOBIQWTBVHDNT-CHWSQXEVSA-N 304.350 -0.292 30 20 DBED C=CCOCCCC(=O)N1CC(N(CC)C(=O)CC(N)=O)C1 1079528897 ZPTOGPFXBVBZHF-UHFFFAOYSA-N 311.382 -0.096 30 20 DBED C=C(C)[C@@H](CC(=O)N(CC)C1CN(C(=O)C(N)=O)C1)OCC 1079884142 HREZVJQEQOLCLP-GFCCVEGCSA-N 311.382 -0.098 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)c2ncccn2)C[C@H]1O 1081463167 KCJKBHQDVNABQE-CHWSQXEVSA-N 316.361 -0.315 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)Cc2ccn(C)n2)C1 1081477799 XVMFVQXMWRYTFD-GXTWGEPZSA-N 320.393 -0.136 30 20 DBED C=CCCCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cnn[nH]2)C1 1081590014 LKFBOKXKUUXSRS-PWSUYJOCSA-N 307.354 -0.290 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@@H]2CC(=O)N(CC(C)C)C2)[C@H](OC)C1 1081761790 NACDYECCNDBFQO-RBSFLKMASA-N 321.421 -0.061 30 20 DBED C#CCCN1C[C@@H](NC(=O)c2ccc(N(C)C)nn2)[C@H](OC)C1 1082330114 CCMULSHTIJQUJM-ZIAGYGMSSA-N 317.393 -0.005 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)Cc2cc(CC)nn2C)C1 1083659363 XHHBHOILOHSEDC-CABCVRRESA-N 304.394 -0.290 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2CN(C[C@@H]3CCOC3)C[C@@H]2O)c1 1083765492 HFRBYQPCXYYCIV-IMJJTQAJSA-N 315.373 -0.126 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCN(C(C)=O)C2)C1 1084003841 OTKLLXHRRKPZQT-ZNMIVQPWSA-N 309.410 -0.018 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2C[C@@H](N[C@H]3CCNC3=O)C2)nn1 1086219405 YLINCBNDXCKQND-TUAOUCFPSA-N 318.381 -0.549 30 20 DBED C=CCCN1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)[C@H]1CC 1087840740 LNBKHEHNVLKWIR-WCQYABFASA-N 320.397 -0.078 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)c2ccc(C(N)=O)[nH]2)[C@@H](O)C1 1090573003 JDNROYCGTABUKT-GWCFXTLKSA-N 306.366 -0.145 30 20 DBED N#CCN1CC[C@@H](NC(=O)Cc2ccc(C(N)=O)cc2)[C@H](O)C1 1090840494 APHULRLPPLHWAA-ZIAGYGMSSA-N 316.361 -0.597 30 20 DBED C=CCN1CC[C@H](NC(=O)c2ccc(C(N)=O)nc2)[C@@H](O)C1 1090851069 YHBKIDKYBBGAML-AAEUAGOBSA-N 304.350 -0.469 30 20 DBED CCN(C)CCC(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@@H]1O 1091137396 KEVHUCOUDBGKHM-CABCVRRESA-N 317.393 -0.039 30 20 DBED C=C(C)CN1C[C@@H]2CN(C(=O)CN3CCNC(=O)C3)C[C@]2(C)C1 1091913330 XKSOFTRLXRFQHM-PBHICJAKSA-N 320.437 -0.225 30 20 DBED C=CCN1CC2(C[C@H](NC(=O)[C@H]3COC(=O)N3)c3nccn32)C1 1092366910 XXUMMGAIIPJTST-WDEREUQCSA-N 317.349 -0.251 30 20 DBED C[C@H](NC(N)=O)C(=O)NC1[C@H]2CN(c3ncccc3C#N)C[C@H]12 1093258125 IHERYSDINQWWAZ-LSJOCFKGSA-N 314.349 -0.439 30 20 DBED C#CCNC(=O)CC(=O)NCCNc1ncc(C)cc1[N+](=O)[O-] 1093558127 CHHUEOAIQKGDEZ-UHFFFAOYSA-N 319.321 -0.034 30 20 DBED CNC(=O)NC(C)(C)C(=O)NCCNc1nccnc1C#N 1093673619 VKXVWAJPUGMLIK-UHFFFAOYSA-N 305.342 -0.416 30 20 DBED N#Cc1cnc(NCCNC(=O)CCCn2cncn2)cn1 1093853114 GNLWLIVZXNTPJV-UHFFFAOYSA-N 300.326 -0.052 30 20 DBED N#Cc1nccnc1N1CCCN(C(=O)CNC(N)=O)CC1 1095164278 OOKYZERFLVVFGU-UHFFFAOYSA-N 303.326 -0.945 30 20 DBED CC(=O)N[C@H](C)C(=O)NCCCN(C)c1ccnc(C#N)n1 1095487598 ZBWWSVMCWAPISY-SNVBAGLBSA-N 304.354 -0.185 30 20 DBED N#Cc1cncc(N[C@@H](CNC(=O)[C@@H]2CCC(=O)N2)C2CC2)n1 1096700610 YVFJBSZXFYJBGH-RYUDHWBXSA-N 314.349 -0.066 30 20 DBED C[C@@H](NC(=O)C(N)=O)[C@H]1CCCN(c2nccnc2C#N)C1 1097547399 HDVNXAHVQYIPJF-ZJUUUORDSA-N 302.338 -0.445 30 20 DBED Cn1nnnc1CN1CC[C@@H](NC(=O)C#CC(C)(C)C)[C@@H](O)C1 1099827420 XDKORIHOABHTPX-NEPJUHHUSA-N 320.397 -0.689 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)CCS(=O)(=O)NC)[C@@H](O)C1 1099832782 MKLCWCICNFLZJE-RYUDHWBXSA-N 319.427 -0.947 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCN(Cc2nccn2C)C[C@@H]1O 1099833565 YDGHZKWYGFRMCJ-KGLIPLIRSA-N 320.393 -0.489 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CN(C)C(=O)C(C)C)[C@@H](O)C1 1099861757 YJOUAFNPPVYGPE-KGLIPLIRSA-N 309.410 -0.325 30 20 DBED CC#CCN1CC[C@H](NC(=O)CCCN(C)C(C)=O)[C@H](O)C1 1100092923 UTZXSZQJPAAYRY-LSDHHAIUSA-N 309.410 -0.180 30 20 DBED CNC(=O)NC(C)(C)C(=O)NCCN(C)c1ccc(C#N)nn1 1100154661 YTIZNADOSJUQAE-UHFFFAOYSA-N 319.369 -0.392 30 20 DBED CCN(CCNC(=O)c1nccnc1N)c1ccc(C#N)nn1 1100477803 JLINQTHBWYENPO-UHFFFAOYSA-N 312.337 -0.023 30 20 DBED C#CCNC1CC(CNC(=O)C[C@]2(C)CCS(=O)(=O)N2)C1 1100919599 DPJPDDIJRFUQLO-YIZWMMSDSA-N 313.423 -0.424 30 20 DBED CCCN(CCNC(=O)Cn1cnnn1)c1cnc(C#N)cn1 1101083487 FTMPZYXQYIAPHM-UHFFFAOYSA-N 315.341 -0.632 30 20 DBED COC(=O)NCC(=O)NCCN(c1ccnc(C#N)n1)C1CC1 1101295245 PQIXEGKENYYFDG-UHFFFAOYSA-N 318.337 -0.211 30 20 DBED CN(C(=O)CNC(N)=O)[C@@H]1CCN(c2ccnc(C#N)n2)C1 1102668214 GVNANSCSHOZFDN-SECBINFHSA-N 303.326 -0.946 30 20 DBED CC[C@H](CNC(=O)CNC(=O)NC)N=c1cc[nH]cc1C#N 1103352599 KFXGRZMAPHHEMG-LLVKDONJSA-N 304.354 -0.389 30 20 DBED C#CCCNCc1cn(C2CN(C(=O)c3cccnn3)C2)nn1 1105348079 UWMYZYLWEYSZHV-UHFFFAOYSA-N 311.349 -0.122 30 20 DBED CC(C)[C@@H]1N(C(=O)CNC(N)=O)C[C@]12C[C@@H](O)[C@H](NCC#N)C2 1105594015 KGRDYEXVRACIAI-ZSEWYUTFSA-N 323.397 -0.856 30 20 DBED COC(=O)NCC(=O)NC[C@@H](O)CNc1ccc(C#N)c(C)n1 1105723354 NDSSTRVKRPLDGH-NSHDSACASA-N 321.337 -0.493 30 20 DBED C[C@@H](C(=O)NC[C@H](O)CNc1ccc(C#N)cn1)n1cncn1 1105828375 GKNXYDCXGIOHCP-CMPLNLGQSA-N 315.337 -0.305 30 20 DBED CCN(CCNc1cncc(C#N)n1)C(=O)CCNC(=O)NC 1106749082 JWOGAWYWIYAVNK-UHFFFAOYSA-N 319.369 -0.072 30 20 DBED N#Cc1nccnc1NC/C=C\CNC(=O)[C@H]1CCC(=O)N1 1107115957 VTFGJSKKIPBPTM-JWXWKVPASA-N 300.322 -0.289 30 20 DBED C#CCN1CC(n2cc(CNC(=O)Cn3ccc(C)n3)nn2)C1 1107211914 DYLLEVUCVOGYRA-UHFFFAOYSA-N 313.365 -0.411 30 20 DBED C#CCN1CC[C@@]2(CNC(=O)Cn3cnnc3O)CCC[C@@H]12 1107376694 QFYLWYPPGCLJOQ-IUODEOHRSA-N 303.366 -0.022 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)C[C@H]1CCC(=O)N1 1107839197 VKHHURWGMMFMTM-NXEZZACHSA-N 302.338 -0.645 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H](C)CNc1ncnc2c1nnn2C 1107948177 ODRQOQNYUSKKOB-NXEZZACHSA-N 317.353 -0.287 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](C)NC(=O)c2nnn(C)n2)n1 1108049018 GZHOMVWQKJXAMS-MRVPVSSYSA-N 301.314 -0.589 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)c2cnn(CCOC)c2)C1 1108371487 WMJHWYVCYUAGOO-MRXNPFEDSA-N 320.393 -0.017 30 20 DBED Cc1cc(NC(=O)C(=O)NC[C@@]2(C)CN(CC#N)CCO2)no1 1108395763 UXFUBIJUCYHWOJ-AWEZNQCLSA-N 321.337 -0.348 30 20 DBED COC[C@H](C)C(=O)N1CCN(CC#N)[C@H]2CS(=O)(=O)C[C@H]21 1108465471 QIOGSICBYMUKGA-SDDRHHMPSA-N 315.395 -0.898 30 20 DBED CCN(C)CCC(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1 1108584019 XQEOLXLANSNJGR-LBPRGKRZSA-N 307.398 -0.747 30 20 DBED C#CCNC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)COCC 1108894352 AVVGSGXCFJOJGH-MQYQWHSLSA-N 307.394 -0.118 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CC1(O)CCC1 1109248549 QEURPENKVMNUOU-RDBSUJKOSA-N 319.405 -0.238 30 20 DBED CN1C[C@H](C(=O)NCC2(Nc3cncc(C#N)n3)CC2)CC1=O 1110381083 TWKOJMDSDZKBTL-SNVBAGLBSA-N 314.349 -0.113 30 20 DBED CNC(=O)CC(=O)N1CC[C@@H](N=c2cc[nH]c(C#N)n2)C[C@@H]1C 1110512361 IAACOZLQURNNRQ-WDEREUQCSA-N 316.365 -0.302 30 20 DBED C[C@H]1CN(C(=O)CCNC(N)=O)C[C@H]1Nc1cncc(C#N)n1 1112313463 YQQBNJAAGUHEQC-GXSJLCMTSA-N 317.353 -0.335 30 20 DBED CNC(=O)NCC(=O)N1C[C@H](C)[C@@H](Nc2cncc(C#N)n2)C1 1112340614 OULBMPQTJUBREE-ONGXEEELSA-N 317.353 -0.464 30 20 DBED C#CCNC(=O)CC(=O)N1CCN(CCc2ccnn2C)CC1 1112777845 PQWKASGSUGMIOJ-UHFFFAOYSA-N 317.393 -0.754 30 20 DBED Cc1ccn(C)c1C(=O)N1CCN(CC(=O)NCC#N)CC1 1112791812 BWMDAILWQAHIFI-UHFFFAOYSA-N 303.366 -0.269 30 20 DBED C[C@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)N(C)c1ccncc1C#N 1113801782 ADAGSBLTQSWKIN-PWSUYJOCSA-N 316.365 -0.082 30 20 DBED C[C@H](CNC(=O)[C@H]1CCNC1=O)N(C)c1cncc(C#N)n1 1113802777 UMUAJNDFTRNREA-KOLCDFICSA-N 302.338 -0.575 30 20 DBED C[C@H](CNC(=O)[C@H]1CCC(=O)N1C)N(C)c1nccnc1C#N 1113829862 BHTRPCMUCCLOOW-ZYHUDNBSSA-N 316.365 -0.090 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)[C@@H](C)OCCCC)[C@@H]2C1 1113999664 RHGYTOQVCLLIBZ-MGPQQGTHSA-N 321.421 -0.013 30 20 DBED CNC(=O)NC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)C#CC3CC3)[C@H]2C1 1114257842 GXKKEMNQIOADFR-PQFRYHKHSA-N 318.377 -0.710 30 20 DBED N#CCNC(=O)CN1C[C@H]2C(NC(=O)c3nccs3)[C@@H]2C1 1115007048 CYRBTDHMNXZAMX-RKDXNWHRSA-N 305.363 -0.557 30 20 DBED C=C(C)CCN1C[C@H]2[C@H](NC(=O)CS(=O)(=O)NC)[C@H]2C1 1115250403 WMMMBFQNBYBZDI-PJXYFTJBSA-N 301.412 -0.452 30 20 DBED C=CCOCC(=O)NCCOCCCN=c1cc[nH]c(C#N)n1 1115393769 QUFRVPOGJCXTKG-UHFFFAOYSA-N 319.365 -0.092 30 20 DBED CC(C)C(=O)NCCNC(=O)CCN/C(O)=C1\N=CC=CC1=O 1116067091 INZPKSVEJBQJQR-FYWRMAATSA-N 322.365 -0.209 30 20 DBED N#CCC1CCN(C(=O)C(=O)NCCN2C(=O)CCC2=O)CC1 1117325519 PUADEAOAJFKDMF-UHFFFAOYSA-N 320.349 -0.596 30 20 DBED CN(CC(C)(C)C#N)C(=O)C(=O)N1CCN2CCOC[C@@H]2C1 1117875745 YVAVGAFZWDJQMX-LBPRGKRZSA-N 308.382 -0.462 30 20 DBED CN1CCC[C@@H](NC(=O)C(=O)Nc2ccc(C#N)cn2)C1=O 1118851388 BDQNTSCIWLOISH-SNVBAGLBSA-N 301.306 -0.371 30 20 DBED CCC(=O)NCC(=O)NC[C@@H](CO)Nc1ncc(C#N)cc1F 1121243667 WNFMZWYXLRKXIW-JTQLQIEISA-N 323.328 -0.492 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)CCCC(N)=O)nc1 1121712470 YUIVKFXCKLVPEC-NSHDSACASA-N 305.338 -0.502 30 20 DBED CCC(=O)N[C@H](C)C(=O)NC[C@H](CO)Nc1ccc(C#N)cn1 1122752706 QFQURRQAELEYRA-ZYHUDNBSSA-N 319.365 -0.243 30 20 DBED C[C@H]1C[C@H](N=c2cc[nH]cc2C#N)CN1C(=O)CNC(N)=O 1123145975 IIMCUQCPPYNPEK-ONGXEEELSA-N 302.338 -0.555 30 20 DBED N#Cc1nccnc1NC[C@H]1CC[C@@H](NC(=O)CNC(N)=O)C1 1123720954 ZOOOZCGYSKKDHN-VHSXEESVSA-N 317.353 -0.287 30 20 DBED CC(C)[C@@H](O)C(=O)N(C)C[C@@H](O)CNc1ccc(C#N)nn1 1124295872 OJSXRXMNKDOJKZ-WCQYABFASA-N 307.354 -0.404 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)c1cccnn1 1124460307 JZTNVMQBGTZVRD-SNVBAGLBSA-N 313.321 -0.895 30 20 DBED CN(C[C@@H](O)CN(C)c1nccnc1C#N)C(=O)c1ccon1 1124982130 ODALEXTXBUMVAQ-JTQLQIEISA-N 316.321 -0.094 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C[C@H](C)OC)C[C@@H]1n1ccnn1 1128811856 GRFHYEGUFNRKIC-MJBXVCDLSA-N 323.397 -0.143 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCNC[C@H](O)Cn1cccn1 1129790601 CYLWJGWBMIVTBU-GJZGRUSLSA-N 319.409 -0.953 30 20 DBED CN(C)CCC(=O)N1C[C@@H](NCC#N)[C@H](c2cncn2C)C1 1131062046 SRMWQCOWZCYEET-CHWSQXEVSA-N 304.398 -0.221 30 20 DBED C=CCN1C[C@H]2C[C@@H]3CN(C(=O)[C@@H](C)NC(C)=O)C[C@@]3(C1)O2 1131177867 NAQFAQJXJBZLPH-XKVFNRALSA-N 307.394 -0.001 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)CCOCC#C)CC[C@@H]1C 1132029746 PETYHZODNDSLSI-GJZGRUSLSA-N 319.405 -0.255 30 20 DBED N#CCNC(=O)CNCCNC(=O)[C@H]1CCc2cccnc21 1132981381 WSUYPHQKQYZUDO-LBPRGKRZSA-N 301.350 -0.543 30 20 DBED C#CCNC(=O)CNC[C@H]1CN(C(=O)c2nc[nH]n2)CC[C@@H]1C 1133178676 VXUZXGCXFIUUFC-RYUDHWBXSA-N 318.381 -0.758 30 20 DBED C#Cc1cncc(C(=O)NCCNCC(=O)N2CCOCC2)c1 1133593004 JTGAMTHGXSHZBJ-UHFFFAOYSA-N 316.361 -0.759 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)c2ccc(C(N)=O)[nH]2)C1=O 1133955924 FWAOGZCPRHSYGC-LBPRGKRZSA-N 319.365 -0.780 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)CCc1cnc[nH]1 1134546053 VKYZEEKUBFBLNQ-OLZOCXBDSA-N 319.409 -0.035 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CCO[C@H]1C(=C)C 1135145178 AFMFRQPZEYKDDX-RDBSUJKOSA-N 307.394 -0.189 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)c1cccnn1 1135631715 GXSMSFOEZAQYMB-SNVBAGLBSA-N 320.353 -0.804 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)[C@]1(C)CCOC1 1135781742 RDQJNYWXROOZPK-CQSZACIVSA-N 312.370 -0.869 30 20 DBED C#CCNC(=O)CN1CCCO[C@H](CNC(=O)C2CCC2)C1 1148941383 LXEODFVSLMESLL-CQSZACIVSA-N 307.394 -0.257 30 20 DBED C=CCNC(=O)CNCCNC(=O)CNC(=O)C1CCCCC1 1149871844 XRBYLSFSTIVLAX-UHFFFAOYSA-N 324.425 -0.309 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)Cc1ccon1 1152514715 CNKKQUMYUWCSBU-LLVKDONJSA-N 307.354 -0.317 30 20 DBED O=C(C#CC1CC1)NCCCNCC(=O)NC[C@H]1CCCO1 1157705010 HESRIUIKGIRNQF-CQSZACIVSA-N 307.394 -0.209 30 20 DBED C#CCNC(=O)CNCC1(CCNC(=O)CCN(C)CC)CC1 1167640029 KPEJPRYMCWELOY-UHFFFAOYSA-N 322.453 -0.046 30 20 DBED COCC#CCNCC1(CCNC(=O)CCNC(N)=O)CC1 1168052265 KTTGJCSSYXMCCJ-UHFFFAOYSA-N 310.398 -0.429 30 20 DBED C[C@@H]1CC[C@@H](C)N1CC(=O)NCCCNCC(=O)NCC#N 1176844655 NEWOJFRFNJMRCY-CHWSQXEVSA-N 309.414 -0.405 30 20 DBED CC(=O)CCCC(=O)N1CC[C@H](NCC(=O)NCC#N)[C@@H]1C 1178108309 DJESWRCNHVCOML-STQMWFEESA-N 308.382 -0.036 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CCCN2C)[C@H]1C 1178356417 MJQUOIZFZOQBBV-IHRRRGAJSA-N 308.426 -0.038 30 20 DBED C[C@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)Cc1cc[nH]n1 1178396203 WQJPOEVSPAMJMG-JQWIXIFHSA-N 304.354 -0.829 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CCCCN2C)C1 1183647038 BRBNRXUIUGPBTG-ZIAGYGMSSA-N 308.426 -0.037 30 20 DBED COCC#CCN(C)[C@H]1CCN(C(=O)[C@H](C)S(C)(=O)=O)C1 1190957486 RSGVHKJSBDHWAY-STQMWFEESA-N 316.423 -0.398 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)/C=C(\C)C2CC2)C1 1191392048 FVGTUCHFAGPTAL-WOOMBNRNSA-N 319.405 -0.358 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(CC(=O)N2CCCC2)C[C@H]1O 1192504254 ZCMAADLPOKOSOO-ZIAGYGMSSA-N 307.394 -0.426 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C/C=C(\C)C=C)C1 1195399495 BVZRSBLZWIWKGZ-BARLUBHISA-N 307.394 -0.028 30 20 DBED CNC(=O)NC(=O)[C@@H](C)N1CCCN(C(=O)C#CC2CC2)CC1 1195753753 AYSNYBFTFKHUHH-GFCCVEGCSA-N 320.393 -0.222 30 20 DBED C=CCC(C)(C)C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[nH]2)C[C@H]1O 1196469693 ZNMPNBXZJMAGET-GHMZBOCLSA-N 323.397 -0.628 30 20 DBED COCC#CCN1CCCN(C(=O)c2cn(C)c(=O)cn2)CC1 1196581431 NPABTQACJSQBMA-UHFFFAOYSA-N 318.377 -0.422 30 20 DBED C#CCCN1CCCN(C(=O)COCc2nncn2C)CC1 1197654288 WXLVINLZJDXKPF-UHFFFAOYSA-N 305.382 -0.111 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(CCc2ccnn2C)C[C@H]1O 1199318273 QKXHZKZHLFMEEA-BPLDGKMQSA-N 322.409 -0.285 30 20 DBED C=CCOCC(=O)N1CCCO[C@@H](CN[C@H](C)C(=O)NC)C1 1200109606 YCNFZIAGWDYXSI-OLZOCXBDSA-N 313.398 -0.469 30 20 DBED C[C@@H]1CO[C@@H](C(=O)N2CCC(NCC(=O)NCC#N)CC2)C1 1201694976 WGXMIVBDORMWLR-WCQYABFASA-N 308.382 -0.368 30 20 DBED CN1C(=O)CCC[C@@H]1C(=O)N1CCCO[C@@H](CNCC#N)C1 1201965006 DNBYKBWQOYJICM-QWHCGFSZSA-N 308.382 -0.272 30 20 DBED N#CCNC(=O)CNCC1CCN(C(=O)[C@H]2CCCOC2)CC1 1204742650 SSNWDDJHUGJAAK-AWEZNQCLSA-N 322.409 -0.119 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCC(CNCC(=O)NCC#N)CC1 1205118852 FARCASPYRKVVJH-MRXNPFEDSA-N 322.409 -0.219 30 20 DBED COCC#CCN1C[C@@H](NC(=O)c2nnn(C)c2C)[C@H](C)C1 1206713288 RHNGCRGJYOHFBB-DGCLKSJQSA-N 305.382 -0.177 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(Cc2nnc(C)o2)C[C@H]1C 1206887554 QARSIBRNMQYXHC-ZYHUDNBSSA-N 319.365 -0.546 30 20 DBED N#CCNC(=O)CN[C@H]1CCCN(C(=O)c2cncnc2)C1 1207869060 CETHFKPLQVUWFK-LBPRGKRZSA-N 302.338 -0.689 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)CCOCC#C)C1 1208028557 GGIRMCUISXNNOE-CQSZACIVSA-N 305.378 -0.644 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CCCOCC2)C[C@H]1C 1214524977 WJJPWHHEJWYTMG-RBSFLKMASA-N 321.421 -0.011 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@@H](NCCN2CCNC2=O)[C@H](C)C1 1214604468 CSNZVIPWUPBFPZ-HZSPNIEDSA-N 322.409 -0.514 30 20 DBED CCN1CCO[C@@H](C(=O)N2C[C@@H](NCC#CCOC)[C@H](C)C2)C1 1216801417 NCFFGDUTIYNYJN-BZUAXINKSA-N 323.437 -0.207 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H](C)NC(=O)COC 1217977403 YOWXTZONHKBJEP-HZSPNIEDSA-N 323.393 -0.928 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CN(Cc2nc(C(C)(C)C)n[nH]2)C[C@@H]1O 1219379321 QZQWTZRQFHMHMH-MXWKQRLJSA-N 320.397 -0.077 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C2CC(C)(C)C2)C1 1219550801 IMKBJEMMLJPXJY-OLZOCXBDSA-N 307.394 -0.667 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)/C=C(/C)CC)C1 1219583758 OBYDPXIOEOVGCC-IXVIMSQCSA-N 307.394 -0.358 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C[C@@H](C)C(C)(C)C)C1 1220848220 LYVMNSJWMLDLLS-MCIONIFRSA-N 323.437 -0.031 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2nc(CC)no2)C[C@@H]1O 1221145745 KEPNWZINNOGRKE-TUAOUCFPSA-N 324.381 -0.116 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)c2ccncn2)CC1 1224894480 LPCNSONTABEWIR-UHFFFAOYSA-N 315.377 -0.332 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)c2cn(C)c(O)n2)CC1 1228991420 FUAHTWJCBDBZNF-UHFFFAOYSA-N 319.365 -0.931 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)CN(C)CCC)CC1 1230112933 HRYPMMLJWRYAFO-UHFFFAOYSA-N 308.426 -0.342 30 20 DBED CC[C@H](C)OCC(=O)N(C)C[C@@H]1CCN1CC(=O)NCC#N 1233714314 BNRMPRVJSPNUEI-STQMWFEESA-N 310.398 -0.026 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)CCCNC(=O)CN(C)C(C)=O 1234181535 WKUVASFLWOLHBR-GFCCVEGCSA-N 310.398 -0.959 30 20 DBED C=CCNC(=O)CN1CC[C@H]1CN(C)C(=O)[C@@H]1CCCNC1=O 1235600851 HWKZCPXKJXNFHE-QWHCGFSZSA-N 322.409 -0.653 30 20 DBED C#C[C@@H](C)N(C)C(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1 1255933338 JFCONVRGJFHSPT-MRVPVSSYSA-N 313.335 -0.863 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)Cc1nnn(C(C)(C)C)n1 1261592238 CBCGTWXJCDHWAS-UHFFFAOYSA-N 324.341 -0.474 30 20 DBED N#CC1(NC(=O)CNC2(C(N)=O)CCOCC2)CCCCC1 1261641279 BLAYRYZTEHGEGE-UHFFFAOYSA-N 308.382 -0.047 30 20 DBED C=CCn1nnnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1262209784 ASQWDIXETFKAMC-LLVKDONJSA-N 312.399 -0.137 30 20 DBED CN1CCC(C#N)(NC(=O)CCN2CCCS2(=O)=O)CC1 1318433860 QIGZMQFPGFRYQO-UHFFFAOYSA-N 314.411 -0.484 30 20 DBED N#CCNC(=O)CNC[C@H]1CCCN1C(=O)[C@@]1(F)CCOC1 1319102413 WLIKLFURSHCZGD-BXUZGUMPSA-N 312.345 -0.665 30 20 DBED C=CC[C@H](NC(=O)Cn1ncn2nccc2c1=O)C(=O)OCC 1320146992 FOSBBCAPYRFNQH-JTQLQIEISA-N 319.321 -0.485 30 20 DBED Cc1cc(NC(=O)CN2C(=O)CN(C)C2=O)n(CCC#N)n1 1320353090 XIJLCGSANCJOEG-UHFFFAOYSA-N 304.310 -0.062 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)NCCN1CCOC(C)(C)C1 1323529399 YXZNAPKBZLUYEV-LBPRGKRZSA-N 313.398 -0.469 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N2CCOC3(CCCC3)C2)CCO1 1324890854 UKWSTIATKWPEBM-GFCCVEGCSA-N 307.350 -0.091 30 20 DBED CC#CCCNC(=O)C(=O)NC[C@H](C(C)C)N1CCOCC1 1327394601 ZCRDRDQQEHKZOU-CQSZACIVSA-N 309.410 -0.011 30 20 DBED C=CCOCCNC(=O)C(=O)N1CCC[C@H](OCCOC)C1 1327424089 CDJBMSRZHRTMNL-ZDUSSCGKSA-N 314.382 -0.041 30 20 DBED C=CCn1cc(CNC(=O)N2CC[C@@H](S(N)(=O)=O)C2)nn1 1328045180 GTYHPVMBZPFTMG-SNVBAGLBSA-N 314.371 -0.964 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)N2CC[C@](O)(C3CC3)C2)C1 1328426407 OYECBIBKOVDUNW-LSDHHAIUSA-N 307.350 -0.763 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@@H](C)CCOC 1329794399 ZJQOIAVFNOPINI-JTQLQIEISA-N 306.384 -0.755 30 20 DBED C=CCCOCCn1nnnc1N1CCN2C(=O)NC[C@@H]2C1 1334242354 ZSGBTJZBPZRGTA-LLVKDONJSA-N 307.358 -0.520 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N1CC[C@H](n2cncn2)C1 1336593920 FXRIQWISQPMYNL-OLZOCXBDSA-N 319.365 -0.404 30 20 DBED C#CCOCCn1nnnc1N1CCC[C@H](CNC(C)=O)C1 1344582768 FNOAIINKUUWHPN-CYBMUJFWSA-N 306.370 -0.325 30 20 DBED N#CC1(NC(=O)CN2C(=O)N[C@@]3(CCCNC3)C2=O)CCC1 1345780430 CQFGJIPKJWWHAP-CQSZACIVSA-N 305.338 -0.777 30 20 DBED CCCN(CC(C)(C)O)C(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1349337706 YQSQRXWEMUTOJS-HNNXBMFYSA-N 311.382 -0.127 30 20 DBED O=C1NC(=O)[C@H]2CN(c3nnnn3CC#Cc3ccccc3)C[C@@H]12 1352436642 IXVYWXBQWGJPLK-BETUJISGSA-N 322.328 -0.566 30 20 DBED N#Cc1cn(CCC(=O)NC[C@H]2CCC[C@@H](O)C2)c(=O)nc1O 1362179073 HAVRZUJRAWGCLB-CMPLNLGQSA-N 320.349 -0.122 30 20 DBED COC(=O)[C@H](NC(=O)CCn1cc(C#N)c(O)nc1=O)C1CC1 1362347931 WYHUKGUDXPBMRH-LLVKDONJSA-N 320.305 -0.722 30 20 DBED CC1(C)CNC(=O)[C@H]1NCc1cc(O)n2ncc(C#N)c2n1 1363288215 INZKYXGVUOXAAH-LLVKDONJSA-N 300.322 -0.079 30 20 DBED Cc1ccncc1CC(=O)NCCn1cc(C#N)c(O)nc1=O 1364107544 KSKRDOVNOXOWAB-UHFFFAOYSA-N 313.317 -0.117 30 20 DBED C[C@H](C#N)C(=O)NCCN1CCN(CCNC(=O)C2CC2)CC1 1376081604 PGWIKBWDHKCFFA-CYBMUJFWSA-N 321.425 -0.594 30 20 DBED COc1cc(C(=O)NC[C@H](O)CNC(=O)[C@H](C)C#N)sn1 1392099997 BEWVCSBMXUBMCB-HTQZYQBOSA-N 312.351 -0.482 30 20 DBED C[C@@H](CN(C)C(=O)[C@H]1CCC(=O)N1)NC(=O)c1c[nH]c(C#N)c1 1395543436 JRLBACMAFGAIMR-JOYOIKCWSA-N 317.349 -0.258 30 20 DBED CC[C@H](C)OCC(=O)NC[C@@H](O)CNC(=O)c1cc(C#N)c[nH]1 1399820872 NKFCKIKIRQGKKF-CMPLNLGQSA-N 322.365 -0.092 30 20 DBED C[C@@H](CNC(=O)c1ccc(C(N)=O)nc1)NC(=O)[C@H](C)C#N 1408220944 CHWDXOJYWQUOBY-BDAKNGLRSA-N 303.322 -0.425 30 20 DBED COCC(=O)N(C)CC(=O)NCCN(C(=O)[C@@H](C)C#N)C1CC1 1408920840 ZQQUNXCQFVIXDS-NSHDSACASA-N 324.381 -0.642 30 20 DBED C[C@H](C#N)C(=O)NC1CCN(C(=O)[C@@H](C)S(C)(=O)=O)CC1 1414673654 QUQKJVGLNUHVEC-NXEZZACHSA-N 315.395 -0.314 30 20 DBED CCN(CCNC(=O)[C@H](C)C#N)C(=O)[C@@H]1CCN(C)C(=O)C1 1415720550 NMICEURNEGYEBU-VXGBXAGGSA-N 308.382 -0.021 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](C)CNC(=O)c1ccc2nnnn2c1 1431729417 KBDLEXYAWBFGCP-DTWKUNHWSA-N 301.310 -0.482 30 20 DBED CC(=O)NCC(=O)NC[C@@H]1CCCN1C(=O)c1ccc(C#N)[nH]1 1449549507 KJQQUGZKJZOLIA-LBPRGKRZSA-N 317.349 -0.257 30 20 DBED Cc1n[nH]c(C)c1CC(=O)N(C)C[C@@H](O)CNC(=O)[C@@H](C)C#N 1451855393 VJLLMNJPFBVPEB-CABZTGNLSA-N 321.381 -0.336 30 20 DBED CCS(=O)(=O)C[C@H](C)N(C)c1[nH]c(=O)n(C)c(=O)c1C#N 1472696693 PIHLOAHIIUHTAK-QMMMGPOBSA-N 314.367 -0.795 30 20 DBED Cc1noc(CCCN2CC(O)(CNC(=O)[C@H](C)C#N)C2)n1 1484263835 FQHWYRSDKOLDQI-SNVBAGLBSA-N 307.354 -0.367 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](C)C1CCN(C(=O)Cn2ncnn2)CC1 1488550040 SAXMCTUUPDHHRR-WDEREUQCSA-N 319.369 -0.424 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H]1CNC(=O)CCn1cncn1 1529163768 SLSNAHZAXQESDR-NEPJUHHUSA-N 304.354 -0.065 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(C(=O)c2cnn(C)c2N)[C@@H]1C 1573459698 DWUATAPSFXNGBU-PWSUYJOCSA-N 321.381 -0.076 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)N2CCOC23CNC3)cc1 1580064952 WUXOYOHEOSCEKV-UHFFFAOYSA-N 300.318 -0.554 30 20 DBED C#CCN(CC(=O)O)C(=O)CCN/C(O)=C1\N=CC=CC1=O 1588402383 SLMLXCSMEFQULN-BUHFOSPRSA-N 305.290 -0.551 30 20 DBED C[C@@]1(C(=O)O)CCN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)C1 1589187439 SEMUWTPRDPVSLW-ZIAGYGMSSA-N 309.322 -0.813 30 20 DBED COC(=O)[C@H]1CN(C(=O)c2ccc(C#N)nc2)C[C@@H]1C(=O)O 1598815868 IUCJICCCBLQNGM-QWRGUYRKSA-N 303.274 -0.101 30 20 DBED COC[C@](C)(CC(=O)O)NS(=O)(=O)N(C)[C@H](C)CC#N 1599150434 LSMIJHWPZHWHSI-KOLCDFICSA-N 307.372 -0.065 30 20 DBED N#CCCN1CCN(C(=O)CCC(=O)N2CCC(O)CC2)CC1 1649954619 WYTDNUBRXBFHRF-UHFFFAOYSA-N 322.409 -0.192 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2ccoc2CC(N)=O)C1 1713956450 HWVDBRGBCIMTTJ-LBPRGKRZSA-N 319.361 -0.239 30 20 DBED C#CCN1CCN(CCNC(=O)c2cccn(C)c2=O)CC1 1752375144 JQIXFCUUXPMKOZ-UHFFFAOYSA-N 302.378 -0.634 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)[C@@H](CC)NC(C)=O)C1 1752594085 ZAPLGVULKKRLBT-QWHCGFSZSA-N 310.398 -0.606 30 20 DBED N#CCNC(=O)CN1CC(NC(=O)c2coc(C3CCC3)n2)C1 1753391557 WBWLMWQHPKCQFU-UHFFFAOYSA-N 317.349 -0.004 30 20 DBED C=CCCCN1CCO[C@@H](CNC(=O)C[C@H]2CC(=O)NC2=O)C1 1753657872 ITNPMJDWEGWEMA-STQMWFEESA-N 323.393 -0.178 30 20 DBED C#CCNC(=O)[C@@H](C)NCCN(CC)C(=O)c1ccncn1 1754072754 LYMZVSHUYBLXQZ-GFCCVEGCSA-N 303.366 -0.334 30 20 DBED C=CCNC(=O)[C@H](C)NC[C@@H](C)NC(=O)c1nccnc1N 1754221294 YGQDBLLUCQVFEL-ZJUUUORDSA-N 306.370 -0.543 30 20 DBED C#CCNC(=O)CNC[C@@H](C)NC(=O)C[C@H](OC)C(F)(F)F 1754248717 UNPDJURFPGXZJS-ZJUUUORDSA-N 323.315 -0.203 30 20 DBED C#CCNC(=O)CN(C)C[C@H](C)NC(=O)C12CCN(CC1)C2 1754331284 QNIXPVBLUNMARO-ZDUSSCGKSA-N 306.410 -0.732 30 20 DBED C#CCN1CCC(C(=O)N[C@H](C)CN(C)CC(=O)NCC)CC1 1754337654 XOMMHNQANLEEEL-CQSZACIVSA-N 322.453 -0.096 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2csnn2)[C@@H](C)C1 1754599043 YOTMCVNSEQEHLK-QWRGUYRKSA-N 321.406 -0.130 30 20 DBED COCC#CCN1CCC(C)(NC(=O)[C@H]2CN(C)CCO2)CC1 1754625441 VUYUDMUFPSIUSI-OAHLLOKOSA-N 323.437 -0.063 30 20 DBED C#CCCCC(=O)NCC1(O)CN(CCNC(=O)C2CC2)C1 1754774857 PZCIRHXIJCKUPV-UHFFFAOYSA-N 307.394 -0.521 30 20 DBED C=C(C)CN[C@H](C)[C@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 1754796355 AULOVBDGAVFMTK-KGLIPLIRSA-N 308.426 -0.179 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](CCNCc2nnn(C)n2)C1 1754914750 MBSKPDBJDKGLMQ-CYBMUJFWSA-N 320.397 -0.422 30 20 DBED COCC#CCN[C@@H](C)[C@H](C)NC(=O)CS(=O)(=O)C(C)C 1755267310 ALRPVYDVARIWCM-STQMWFEESA-N 318.439 -0.058 30 20 DBED COCC#CCN1CC(CCO)(NC(=O)C2=COCCC2)C1 1755330928 XIDRYLHXWVNZEN-UHFFFAOYSA-N 308.378 -0.117 30 20 DBED C[C@H](C(=O)NCC1[C@@H]2CN(CC#N)C[C@@H]12)N1C(=O)CCC1=O 1755424210 HBRHGFVFZRJOIF-USWWRNFRSA-N 304.350 -0.659 30 20 DBED Cc1nn(C)c(C)c1OCC(=O)N(C)C[C@@H](O)CNCC#N 1755779270 HAOIYXTXBQGXLV-LBPRGKRZSA-N 309.370 -0.652 30 20 DBED COc1nn(C)cc1C(=O)N[C@@H](CO)CNC(=O)C#CC1CC1 1756519631 MJPXBINOIPPHAT-LLVKDONJSA-N 320.349 -0.951 30 20 DBED C=CCOCC(=O)N(CC)[C@H](C)CNC(=O)[C@@H]1COCCO1 1756846873 BXOBZOWAPQBXHM-OLZOCXBDSA-N 314.382 -0.042 30 20 DBED CN(C)c1ccc(C(=O)O)cc1C=NNC(=S)NCC(N)=O 1776042292 BBRBWLRLPAKISF-UHFFFAOYSA-N 323.378 -0.266 30 20 DBED C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)NC(=O)C=C)C2)C1 1779284534 LLOYMBWGDTXVIA-BLLLJJGKSA-N 319.361 -0.860 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)Cc1cnc[nH]1)CCO2 1783048802 KFVMUCROXLNIDY-HNNXBMFYSA-N 302.334 -0.585 30 20 DBED CN(C)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1CC1 1793258891 YBNNNSBKNRBDSY-XOIINTDNSA-N 319.405 -0.449 30 20 DBED C=CCO[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](N)CN)C2 1793581950 VZKINHOPPIHTNH-RGDJUOJXSA-N 324.425 -0.498 30 20 DBED CC1=C(C(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)CCO1 1843142544 WWYRBROUYSHNMV-UHFFFAOYSA-N 318.329 -0.028 30 20 DBED C[C@H](O)C(=O)N1CCCC12CN(C(=O)C(C)(C)NCCC#N)C2 1846170062 AIDQOGBWHGYPPF-LBPRGKRZSA-N 322.409 -0.148 30 20 DBED C#CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(C)(C)CNC(C)=O 1847881539 VPVUHCSHHHAISW-STQMWFEESA-N 305.378 -0.016 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@H](C)O[C@@H](C)C2)C1=O 66275911 CTXQESWGLUEIBX-UWVGGRQHSA-N 309.322 -0.401 30 20 DBED C[C@@H]([C@@H](C)NS(=O)(=O)N(C)CCC#N)N1CCOCC1 104758103 GHBODZHBBCFMIF-NEPJUHHUSA-N 304.416 -0.225 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)NC[C@@H]2CCOC2)CC1 114943924 PXTYYZWWSGGKNB-ZDUSSCGKSA-N 310.398 -0.348 30 20 DBED CS(=O)(=O)N1CCCC[C@H]1C(=O)N1CCN(CC#N)CC1 152714872 FGMIFQZRSFYHSO-LBPRGKRZSA-N 314.411 -0.532 30 20 DBED CC(C)(C#N)C(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 172523902 XYYXWCRWFKRREN-GFCCVEGCSA-N 308.382 -0.415 30 20 DBED COCCN1CC[C@H](Nc2c(C#N)c(=O)n(C)c(=O)n2C)C1 264607445 ORXOZIOVLHJQCZ-JTQLQIEISA-N 307.354 -0.912 30 20 DBED COc1ccc(C#N)cc1NC(=O)C(=O)N(C)CCOCCO 282443061 RVANMWFFXUKPNH-UHFFFAOYSA-N 321.333 -0.027 30 20 DBED C[C@@H]1CN/C(=N\C[C@H](O)CS(=O)(=O)c2cccs2)N1 285041305 KKVBAOUNJPLTBY-BDAKNGLRSA-N 303.409 -0.180 30 20 DBED N#Cc1ncn(CCNC(=O)[C@H]2CC(c3cccnc3)=NO2)n1 286897141 OYKHPRXGXNPOND-GFCCVEGCSA-N 311.305 -0.146 30 20 DBED C#CCNC(=O)CCn1c(=O)c(F)cn([C@H]2CCCO2)c1=O 296372393 VVUMWBVITZZPJY-GFCCVEGCSA-N 309.297 -0.402 30 20 DBED CC(=O)NCCNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 298119701 TYJPPDVKTNJKOS-UHFFFAOYSA-N 324.362 -0.911 30 20 DBED N#Cc1ccc(NCC(=O)N2CCOC[C@]23CCOC3)nc1 328611052 OEJCGUNFZYKLBU-OAHLLOKOSA-N 302.334 0.383 30 20 DBED CN1CCN(C)[C@H](C/N=C(/O)N[C@H]2CC(=O)N(C3CC3)C2)C1 330240106 BJNBVBHPXBEKID-WCQYABFASA-N 309.414 -0.501 30 20 DBED CCN(C)C(=O)C/N=C(/O)N1CC[C@H](CS(C)(=O)=O)C1 331132922 BNKQLEWBVCLOCC-JTQLQIEISA-N 305.400 -0.255 30 20 DBED C=CCNC(=O)NC(=O)Cn1nnnc1Cc1ccccn1 344077347 QLMUPBKIEZICIG-UHFFFAOYSA-N 301.310 -0.329 30 20 DBED COC(=O)[C@@H]1CNC(=O)CN1C(=O)COc1ccccc1C#N 344814656 BBYQDGILDBYAPB-NSHDSACASA-N 317.301 -0.563 30 20 DBED C[C@H](CC#N)N(C)C(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 354916309 SFPGVYNCQHJPPZ-KGLIPLIRSA-N 322.409 -0.072 30 20 DBED C[C@H]1[C@@H](N2CCOCC2)CCN1C(=O)NCC(=O)NCC#N 359570260 KEUUFPMXYZUSQU-RYUDHWBXSA-N 309.370 -0.869 30 20 DBED C=C(CC)CNC(=O)C(=O)N1CCC[C@@H](N2CCNCC2=O)C1 418883864 DJPOZCMKLSPJJQ-CYBMUJFWSA-N 322.409 -0.508 30 20 DBED C#CCN1CCN(C(=O)CN2CC[C@](C)(C(=O)OC)C2)CC1 490802458 BHODBNDLZCIMES-INIZCTEOSA-N 307.394 -0.351 30 20 DBED C#CCNC(=O)CN1CCN(CCCC(=O)NCCC)CC1 491779537 JHNYSMZRMCWYJB-UHFFFAOYSA-N 308.426 -0.340 30 20 DBED COC(=O)c1ccc(N2CCN(C(=O)[C@@H](C)O)CC2)c(C#N)n1 515149685 IHKFETSLQDKDBW-SNVBAGLBSA-N 318.333 -0.231 30 20 DBED C=CCOC[C@@H](NS(=O)(=O)c1cn(CC)cn1)C(=O)O 569599058 KZZMKLFUEBCIQC-SECBINFHSA-N 303.340 -0.163 30 20 DBED N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1COC[C@H]1O 584005100 HYEPXRKDTHXVIB-PSASIEDQSA-N 313.291 -0.496 30 20 DBED C[C@H](C#N)CN(C)C(=O)C(=O)N1CCN(C[C@@H]2CCCO2)CC1 590974760 OYIXQSLFISVVKO-KGLIPLIRSA-N 322.409 -0.072 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N1CC(N2CC[C@@H](O)C2)C1 593651770 QORLHKUMLAEMFO-CMPLNLGQSA-N 302.400 -0.927 30 20 DBED N#CCSCC(=O)N1CCCC[C@H]1CNS(N)(=O)=O 597738492 VZZJSQMIXDDRBX-VIFPVBQESA-N 306.413 -0.583 30 20 DBED N#CCCN1CCN(C(=O)C(=O)N2CC[C@@H]3CCN[C@@H]3C2)CC1 601580737 DGNLWOKARDPHJO-UONOGXRCSA-N 319.409 -0.745 30 20 DBED C[C@@H](C(=O)N(C)CCC#N)n1cc(CN2CCN(C)CC2)nn1 603191126 XPNSJWADMYTXNH-ZDUSSCGKSA-N 319.413 -0.041 30 20 DBED C=CCS(=O)(=O)CCNC(=O)CCc1nc(N(C)C)no1 779834706 LVFABDNKYRQATO-UHFFFAOYSA-N 316.383 -0.215 30 20 DBED C#CCOc1ccccc1NC(=O)C(=O)NC1(C(N)=O)CC1 807051232 WHBHJALVORWTAG-UHFFFAOYSA-N 301.302 -0.229 30 20 DBED Cn1cc(Nc2c(C#N)c(=O)n(C)c(=O)n2C)cc1C(=O)O 833053143 RMMFPDWENAJZJU-UHFFFAOYSA-N 303.278 -0.264 30 20 DBED C#CC[C@@H](NS(=O)(=O)c1ncn(C)c1Cl)C(=O)OC 841539377 BZULRFARITUOOO-SSDOTTSWSA-N 305.743 -0.083 30 20 DBED O=C(N[C@@H]1CCCN(O)C1=O)[C@H]1CCCN1c1ncccn1 848137260 BSAKCBHMPXISBF-GHMZBOCLSA-N 305.338 -0.058 30 20 DBED C[C@@H](N)CN(C)C(=O)C(=O)NCCNc1ncccc1C#N 861757278 QDRLZSPBOVVZON-SNVBAGLBSA-N 304.354 -0.713 30 20 DBED C=CCOC[C@@H](NS(=O)(=O)CCn1cccn1)C(=O)OC 867220564 NXDDELJKCPGFTG-LLVKDONJSA-N 317.367 -0.453 30 20 DBED C#CCNS(=O)(=O)N1CCN(c2cncc(Cl)n2)CC1 872634116 WHGCSHCHNAZFRS-UHFFFAOYSA-N 315.786 -0.280 30 20 DBED C#CC[C@@H](NC(=O)CN1CCCCS1(=O)=O)C(=O)OC 880272457 QWVIYMDTZDKVKB-SNVBAGLBSA-N 302.352 -0.907 30 20 DBED CC(=O)NC[C@H]1CN(S(=O)(=O)CC(C)(C)C#N)CCO1 914126704 HJZCDKHMYYDPPN-NSHDSACASA-N 303.384 -0.297 30 20 DBED C#CCN1CCC[C@@H](N2C(=O)N[C@H](CCC(=O)OC)C2=O)C1 925326495 QRJYRNZWIUGQOG-VXGBXAGGSA-N 307.350 -0.042 30 20 DBED C[C@H]1CN(C(=O)CC(N)=O)CC[C@H]1NC(=O)c1ccc(C#N)[nH]1 945230358 ZMYJOIHWFLOHRV-GXSJLCMTSA-N 317.349 -0.271 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@H]2CNC(=O)c2cnon2)c1 951753530 SCVUACPBSSEZQQ-VIFPVBQESA-N 300.278 -0.086 30 20 DBED C[C@H](C#N)C(=O)N1[C@H]2CCC[C@H]1CN(C(=O)[C@@H]1CCNC1=O)C2 952759130 BSWSMEGMNVVYCG-MROQNXINSA-N 318.377 -0.126 30 20 DBED CC#CCN1C[C@H](O)[C@H](CNC(=O)c2cc(OCC)n[nH]2)C1 958167383 KYKRJTVJRKVKQV-YPMHNXCESA-N 306.366 -0.146 30 20 DBED C=CCCn1cc(C(=O)NC[C@H]2CN(CCCO)C[C@H]2O)nn1 958466773 ARPWPGZCUFZLSA-GXTWGEPZSA-N 323.397 -0.741 30 20 DBED CC#CCN1C[C@H](O)[C@H](CNC(=O)c2noc3c2COCC3)C1 958724622 RHHUDRQCGQZZPM-YPMHNXCESA-N 319.361 -0.207 30 20 DBED C[C@@H](NC(=O)c1c[nH]c(C#N)c1)[C@@H]1CCN(C(=O)C(N)=O)C1 959254730 DPPRGMVTJTUASJ-RKDXNWHRSA-N 303.322 -0.662 30 20 DBED Cc1nn[nH]c1C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H](C)C#N 960878388 NVXNVPAYTGTXOF-INTQDDNPSA-N 318.337 -0.675 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1[C@@H]2CN(CCn3cncn3)C[C@@H]21 961831741 IVOCKCZNOKHLEG-MRLBHPIUSA-N 317.393 -0.084 30 20 DBED C#Cc1ccc(C(=O)NC2[C@@H]3CN(CC(=O)N(C)C)C[C@@H]23)nc1 962340953 JGGWXHWKJOIGSW-CHWSQXEVSA-N 312.373 -0.189 30 20 DBED Cn1nc(C2CC2)nc1CC(=O)NC1[C@@H]2CN(CC#N)C[C@@H]12 962654133 QEULOCVZIHCVMP-GHMZBOCLSA-N 300.366 -0.195 30 20 DBED C[C@H](C#N)C(=O)N1CC2(C1)CN(C(=O)[C@@H]1CCOC1)CCO2 965321676 RKWMHBMOMCAQEK-VXGBXAGGSA-N 307.350 -0.378 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2CN(CC(N)=O)CC[C@H]2C)c1 968318734 ZNQPPFAHSHUHAY-BXUZGUMPSA-N 300.362 -0.012 30 20 DBED N#CCN1C[C@H]2CC[C@H]1CN2C(=O)[C@H]1CCc2nnc(O)n2C1 971535844 JBGVVHSLHCPNSG-SDDRHHMPSA-N 316.365 -0.255 30 20 DBED CS(=O)(=O)CC(=O)N1CC[C@@H]2CN(C(=O)C#CC3CC3)[C@@H]2C1 972075798 UOFDXIPSVDHHOS-CHWSQXEVSA-N 324.402 -0.496 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)c3cnn(CC)n3)C2)C1 972367736 MNBPXGOMSUWNMH-OAHLLOKOSA-N 303.366 -0.152 30 20 DBED CN1CC[C@@H](C(=O)N2CC[C@]3(CN(CC#N)CCO3)C2)CC1=O 972440030 YMUQVWOYGADBFA-CJNGLKHVSA-N 320.393 -0.318 30 20 DBED N#Cc1c[nH]c(C(=O)N2C[C@H]3[C@H](NC(=O)c4cnn[nH]4)[C@H]3C2)c1 976801548 YHMVVMFERPFXJQ-GDGBQDQQSA-N 311.305 -0.495 30 20 DBED Cc1nc2n(n1)C[C@H](C(=O)NCC1[C@H]3CN(CC#N)C[C@H]13)CC2 978530072 ONTXFAMWXKXFBO-MRVWCRGKSA-N 314.393 -0.034 30 20 DBED C=CCN1C[C@@]2(C)CN(C(=O)C[C@@H]3NC(=O)NC3=O)C[C@@]2(C)C1 982298668 KJJDZIHSJGYMQH-KNXALSJPSA-N 320.393 -0.059 30 20 DBED C=CCN(C)C1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)CC1 985791382 DNWYEQHNEATJHY-GFCCVEGCSA-N 301.412 -0.213 30 20 DBED C#CCCN1CCN(C(=O)N2CCN(C(=O)COC)CC2)CC1 985825114 KHLFOZJIZLPWEG-UHFFFAOYSA-N 322.409 -0.462 30 20 DBED C#CCN[C@@H]1CCN(C(=O)CN2CCCCS2(=O)=O)[C@H]1C 986568932 ABHMEJFINCUWPP-QWHCGFSZSA-N 313.423 -0.376 30 20 DBED Cc1c(C(=O)N2CC(NC(=O)c3ccc(C#N)[nH]3)C2)nnn1C 990888209 HYUIMJDTNLGSSF-UHFFFAOYSA-N 313.321 -0.422 30 20 DBED C=CCN1CCC[C@@H](NC(=O)CN2CCN(C)C(=O)C2)[C@H]1C 993524308 SPTAEJNIGOUVJZ-ZIAGYGMSSA-N 308.426 -0.085 30 20 DBED CC1(C)CN(C(=O)Cn2ccc(O)nc2=O)C[C@@H]1NCC#N 996011190 XNACKWKUZPWYOK-JTQLQIEISA-N 305.338 -0.701 30 20 DBED C#Cc1cncc(C(=O)N2CC(NC(=O)[C@H]3CCNC3=O)C2)c1 997429844 QJZSRDDWNPPWHZ-ZDUSSCGKSA-N 312.329 -0.860 30 20 DBED O=C(Cn1cnnn1)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C#CC1CC1 1001249647 JJJFTPRXWPJUBC-UPJWGTAASA-N 314.349 -0.665 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC(CNC(=O)[C@H]3C[C@H]3C(N)=O)C2)c1 1004463885 XPJKPXIOBBNOCF-MNOVXSKESA-N 315.333 -0.804 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCCN([C@@H](CC)C(N)=O)C2)nn1 1008799477 MFIXFEQFRQIWNY-AAEUAGOBSA-N 320.397 -0.078 30 20 DBED C#CCCN1CCC[C@@H](NC(=O)[C@@H]2CCN(C)S2(=O)=O)C1 1008840535 NGGZFIHUZWGIFZ-OLZOCXBDSA-N 313.423 -0.376 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2COCCO2)CC1 1010420440 YPRZRQXLRSRHHQ-RDBSUJKOSA-N 324.377 -0.336 30 20 DBED CCN1CCOC[C@@H]1C(=O)N1CCN(C(=O)[C@@H](C)C#N)CC1 1011355077 GWNAFRHQZWIXFE-QWHCGFSZSA-N 308.382 -0.462 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C(=O)c2cn(C)c(=O)cn2)CC1 1011940612 ZXPPLQWUMSYQLL-JTQLQIEISA-N 303.322 -0.776 30 20 DBED C=C(C)CCN1CC[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 1015788044 AICZXZWNOPZECH-GFCCVEGCSA-N 320.393 -0.146 30 20 DBED C#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)c1cn(C)c(=O)nc1O 1018262995 GTJFXIANHIYXCF-PHIMTYICSA-N 302.334 -0.592 30 20 DBED CC(=O)N1CCO[C@H](C(=O)NC[C@@H]2CCCCN2CC#N)C1 1024785277 GYKXWXRZWLBCLJ-KBPBESRZSA-N 308.382 -0.272 30 20 DBED C=CCN(C)[C@@H]1CCCN(C(=O)CN2CCN(C)C(=O)C2)C1 1027468283 ATBMPYYTCCPHKA-CQSZACIVSA-N 308.426 -0.131 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCC1CN([C@@H](C)C(=O)NC)C1 1031742582 LUKXOQFWUKEAET-JSGCOSHPSA-N 306.410 -0.734 30 20 DBED N#CCN1C[C@@H]2C[C@H]1CN2C(=O)COc1ccc(C(N)=O)cc1 1032790724 UZZJLCYVGCGRRY-STQMWFEESA-N 314.345 -0.027 30 20 DBED C#CCCN1CC[C@@H](N(C)C(=O)c2cn(C)c(=O)n(C)c2=O)C1 1033473212 LWOFFTYUPAAFOK-GFCCVEGCSA-N 318.377 -0.746 30 20 DBED C=CCN[C@H]1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)CC1 1034796515 HWQMFSREVMJPES-XYPYZODXSA-N 306.370 -0.420 30 20 DBED C#CCCN1CCO[C@@H](CNC(=O)[C@@H]2COCCN2C(C)=O)C1 1035607698 VNCQKVZRNRUZTR-GJZGRUSLSA-N 323.393 -0.926 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)[C@H]2CCc3nnc(C)n3C2)C1 1035614192 NKQNRKCNRFEANP-KBPBESRZSA-N 317.393 -0.401 30 20 DBED C[C@@]1(C(=O)N[C@@H]2CN(c3nccnc3C#N)C[C@H]2O)CCOC1 1041147037 GLFDZMFEORIHEJ-LALPHHSUSA-N 317.349 -0.559 30 20 DBED N#CCSCC(=O)NCC1(O)CN(C(=O)c2cccnn2)C1 1041571448 ZYPCXFGCLZRTQF-UHFFFAOYSA-N 321.362 -0.964 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)COC2CCCC2)C1 1041678031 GPFJJMZZNZHPMF-LLVKDONJSA-N 309.366 -0.205 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(O)CN(C(=O)c2ccncc2)C1 1042809939 SQTKZYNOOCMMSL-OAHLLOKOSA-N 319.361 -0.288 30 20 DBED O=C(C#CC1CC1)NCC1(O)CN(C(=O)[C@@H]2C[C@]23CCOC3)C1 1042960772 ODDBGMABUUYKKG-BBRMVZONSA-N 318.373 -0.484 30 20 DBED O=C(C#CC1CC1)NCC1(O)CN(C(=O)c2cc(F)c[nH]2)C1 1042964446 FUWKAHVHCOXISV-UHFFFAOYSA-N 305.309 -0.130 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)C2CC=CC2)C1 1043040506 TULUYOFSRWFXGA-GFCCVEGCSA-N 306.362 -0.320 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(O)(CNC(=O)c2[nH]cnc2C)C1 1043825911 GCCJGSQAVUYWLA-CQSZACIVSA-N 322.365 -0.652 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)[C@@H]2CC23CCOCC3)C1 1043829217 RHFBKFIQAOERMS-NEPJUHHUSA-N 321.377 -0.348 30 20 DBED Cc1c[nH]nc1C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1043928395 DXWSKNRSCCVQIM-ZJUUUORDSA-N 313.321 -0.641 30 20 DBED C=CCCCC(=O)NCC1(O)CN(C(=O)c2cn(CC)nn2)C1 1045455436 UCIRTVIHAOMSNZ-UHFFFAOYSA-N 321.381 -0.043 30 20 DBED C=CCCCC(=O)NCC1(O)CN(C(=O)[C@H]2CN(C)C(=O)N2)C1 1045462426 FJKOQTGHMVNEGJ-LLVKDONJSA-N 324.381 -0.944 30 20 DBED Cc1noc(C)c1CC(=O)N1CC(O)(CNC(=O)[C@H](C)C#N)C1 1045554340 CTQKWRJPURFAGV-SECBINFHSA-N 320.349 -0.317 30 20 DBED C=CCN1CC[C@H](N2CCN(C(=O)[C@@H]3CCN(C)C3=O)CC2)C1 1046054251 JXNNLWWDHUYWHP-LSDHHAIUSA-N 320.437 -0.131 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)c2ccc(O)nc2)C1 1046491405 ICZQBICFDDKOCV-UHFFFAOYSA-N 317.345 -0.250 30 20 DBED CC#CCN1C[C@H]2C[C@H](NC(=O)CN3CCNC(=O)C3)C[C@H]1C2 1047125650 HGJCTRCOHYXZBA-SOUVJXGZSA-N 318.421 -0.589 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2c(C)nnn2CC)C1 1047407688 MRUZKCUESVMYGD-STQMWFEESA-N 305.382 -0.253 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCn2cncn2)C1 1048243898 KHSLBKWFDJYKHH-STQMWFEESA-N 321.381 -0.336 30 20 DBED CC(C)C#CC(=O)N(C)[C@H]1CN(C(=O)c2ccnn2C)C[C@@H]1O 1048811364 VTPMRFQDRCMIPY-KBPBESRZSA-N 318.377 -0.277 30 20 DBED C=CCO[C@@H](C)C(=O)N(C)[C@H]1CN(C(=O)COC)C[C@@H]1O 1049011643 YVWJTDGGWKGAIV-SRVKXCTJSA-N 300.355 -0.746 30 20 DBED COCC1(CC(=O)N2C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)C#N)C2)CC1 1049393742 DSKJALLFUDBRAB-AGIUHOORSA-N 323.393 -0.007 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)c2ccsn2)C[C@@H]1O 1049401262 CNFDVRANHZTYFM-MIMYLULJSA-N 308.363 -0.054 30 20 DBED C=C(Cl)CN1CCOC[C@H]1CNC(=O)[C@@H]1CN(C)C(=O)N1 1051064679 RFIYWHGOVGDPLX-MNOVXSKESA-N 316.789 -0.421 30 20 DBED CCC(=O)N1CC[C@H](C(=O)NC[C@@H]2COCCN2CC#N)C1 1051196421 CDBJRWGRVVCSSO-QWHCGFSZSA-N 308.382 -0.415 30 20 DBED N#CCN1CCOC[C@H]1CNC(=O)c1cc(C(N)=O)cs1 1051257751 IWUCCCRTVUXCGZ-SNVBAGLBSA-N 308.363 -0.199 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)Cn2cnnn2)C[C@H]1C 1051923396 XHUYBUCHCRUPAZ-NEPJUHHUSA-N 306.370 -0.150 30 20 DBED N#CCN1CCN([C@H]2CCN(C(=O)Cn3cccn3)C2)CC1 1051982401 FVYOBBZUTHKWJI-AWEZNQCLSA-N 302.382 -0.375 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@H](N2CCN(CC(N)=O)CC2)C1 1052062655 MMMHLQIHTIVUJH-ZDUSSCGKSA-N 308.426 -0.098 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)CC(=O)NC)C[C@@H]1C 1052426640 CZGYYUQSEQYIKS-NWDGAFQWSA-N 311.382 -0.464 30 20 DBED C[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1CNC(=O)Cn1nccn1 1052553530 JGHOTHAYMBSXBB-JSGCOSHPSA-N 315.377 -0.098 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)C3CS(=O)(=O)C3)CO2)C1 1053813914 CCYNQISCVFTVDD-GFCCVEGCSA-N 312.391 -0.986 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)[C@@H]3CCc4nn[nH]c4C3)CO2)C1 1053981947 ZCCWLXDHQLBARY-NEPJUHHUSA-N 315.377 -0.498 30 20 DBED N#Cc1nccc(N2C[C@@H]3C(NC(=O)c4cnnc(O)c4)[C@H]3C2)n1 1056333401 KJGNQTIPKIYLFI-UWVGGRQHSA-N 323.316 -0.292 30 20 DBED C=C[C@](C)(O)CC(=O)NCCN(CCO)C(=O)COC(C)C 1057136749 XHKBGMUEHFAJTB-HNNXBMFYSA-N 316.398 -0.324 30 20 DBED C#CCO[C@H](C)C(=O)NCCN(CCO)C(=O)C[C@@H](C)OC 1057165747 FIFTVNOJAXFYRX-CHWSQXEVSA-N 314.382 -0.613 30 20 DBED CN(C)CC1(C(=O)NCCN(CCO)C(=O)C#CC2CC2)CC1 1057533192 JLHIZORCCOVGSE-UHFFFAOYSA-N 321.421 -0.321 30 20 DBED Cc1ncc(CC(=O)N(CCO)CCNC(=O)[C@@H](C)C#N)o1 1057872593 HAFIGSVBJKXRHW-JTQLQIEISA-N 308.338 -0.378 30 20 DBED N#Cc1ccc(N2CCC[C@H](NC(=O)[C@@H]3CCC(=O)N3)C2)nn1 1058180577 PDFRBLTUWHYUNZ-RYUDHWBXSA-N 314.349 -0.288 30 20 DBED C=C[C@@H](CC)CC(=O)N(CCO)CCNC(=O)Cn1nccn1 1058468379 ICIXUVBPXMBVLS-ZDUSSCGKSA-N 323.397 -0.183 30 20 DBED CN1C[C@@H](C(=O)N[C@@H]2CCN(c3ccc(C#N)cn3)C2)NC1=O 1058504222 JVYCNQWSZGUVML-NEPJUHHUSA-N 314.349 -0.328 30 20 DBED C#CCCCC(=O)N1CCOC[C@H]1CNC(=O)[C@H]1COCCO1 1061321291 ASJFCDPDPJGRMG-ZIAGYGMSSA-N 324.377 -0.451 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)C(=O)NCC1CC1 1061848786 VHYCCPRFNRSXSW-JQWIXIFHSA-N 322.365 -0.984 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)CCS(C)(=O)=O)CCC1 1063564369 NGLMLUCIFMAROO-JTQLQIEISA-N 315.395 -0.264 30 20 DBED C=CCn1cccc1C(=O)NC1(CNC(=O)C(N)=O)CCC1 1064296887 UXJYKKWPDCNFQV-UHFFFAOYSA-N 304.350 -0.072 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)c2ccc(=O)n(C)n2)CCC1 1064305616 UZBWJSBMZFTIKR-SNVBAGLBSA-N 317.349 -0.291 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)c2ccc(=O)n(C)n2)CCC1 1064590666 FACWYICFYMCLMB-SNVBAGLBSA-N 317.349 -0.291 30 20 DBED Cc1nnsc1C(=O)N1CCO[C@H](CNC(=O)[C@H](C)C#N)C1 1064842330 BQVIVAWFGOYIOK-PSASIEDQSA-N 323.378 -0.037 30 20 DBED N#CCSCC(=O)N1CCO[C@@H](CNC(=O)C(F)F)C1 1064881128 OHHDATIJXCQWIH-QMMMGPOBSA-N 307.322 -0.148 30 20 DBED Cc1nc[nH]c1C(=O)N1CCO[C@@H](CNC(=O)[C@@H](C)C#N)C1 1065330941 HBYCWAAUVAKYTP-ONGXEEELSA-N 305.338 -0.165 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)C2(C(N)=O)CC2)CCO1 1065545771 OWLZSNDENSRCAW-LLVKDONJSA-N 309.366 -0.438 30 20 DBED CC(C)C#CC(=O)N(C)CCCN(C)C(=O)c1nnn(C)n1 1067363522 PTFDQFBSZHHBCJ-UHFFFAOYSA-N 306.370 -0.210 30 20 DBED Cn1cnc(C(=O)N2C[C@H]3CC[C@H]2CN3c2cncc(C#N)n2)n1 1068041988 MEOTUOLDJZWYDO-NEPJUHHUSA-N 324.348 -0.030 30 20 DBED C#CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H]2CCOC2)C1 1069901409 DRKSTWKXEBDXHF-MCIONIFRSA-N 303.366 -0.321 30 20 DBED C=C(C)CN1C[C@H](n2ccnn2)[C@H](NC(=O)c2cnn(C)n2)C1 1070052763 KRGHPIMYTOOFCA-OLZOCXBDSA-N 316.369 -0.362 30 20 DBED C#CCOCCC(=O)NC1(CNC(=O)COC)CCOCC1 1070116912 OQFKGYZCDINWTN-UHFFFAOYSA-N 312.366 -0.546 30 20 DBED C[C@@H]1OCCC[C@@H]1C(=O)N1CCC(=O)NCCN(CC#N)CC1 1070956625 VLMRIILLTAIELN-KBPBESRZSA-N 322.409 -0.024 30 20 DBED C[C@]1(C(=O)N2CCC(=O)NCCN(CC#N)CC2)CCCOC1 1071011496 HOQYBJLAAHJXLN-INIZCTEOSA-N 322.409 -0.023 30 20 DBED C#CCN1CC[C@]2(C1)CN(C(=O)c1cnnn1C)C[C@H](C)O2 1071167234 VPDMMUNXIMNANS-WFASDCNBSA-N 303.366 -0.246 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(C(=O)C2=COCCO2)C[C@H]1C 1071523663 BOPLIPUODPUXAO-CHWSQXEVSA-N 322.361 -0.122 30 20 DBED C=CCCOCC(=O)N[C@H]1CN(C(=O)CC(=O)NC)C[C@@H]1C 1071970802 OFRSHVDFHSRGAH-RYUDHWBXSA-N 311.382 -0.322 30 20 DBED C#CCOCCC(=O)N1C[C@H](C)[C@@H](NC(=O)Cc2cc[nH]n2)C1 1072098100 WLKXUDIEVJKIOB-JSGCOSHPSA-N 318.377 -0.045 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(C(=O)CC(=O)N(C)C)C[C@@H]1C 1072128962 KORKNGTYKVHOPZ-QWHCGFSZSA-N 323.393 -0.532 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)c2cc(C(N)=O)cn2C)C1 1073681586 RTGCPNVOOVKXOB-ZDUSSCGKSA-N 318.377 -0.422 30 20 DBED N#CCN1CCCO[C@@H](CNC(=O)c2cccc(C(N)=O)n2)C1 1073905251 ZNCGJTPXWOAIGU-NSHDSACASA-N 317.349 -0.475 30 20 DBED C=CCOCC(=O)N1CC[C@H](NC(=O)c2cn(C)nn2)[C@@H](C)C1 1073930312 QNEFOMDVCJDSIP-RYUDHWBXSA-N 321.381 -0.016 30 20 DBED C=CCn1cc(C(=O)N2CC[C@@H]3OCCN(CCO)[C@@H]3C2)nn1 1074354632 SZKMGIVIDFWKRM-KGLIPLIRSA-N 321.381 -0.628 30 20 DBED C=CCN1CCO[C@@H]2CCN(C(=O)CCn3cnnn3)C[C@H]21 1074365801 KDKMITKBKJIDPU-CHWSQXEVSA-N 306.370 -0.449 30 20 DBED C[C@@H](CCNC(=O)C#CC1CC1)NC(=O)c1cn(C)c(=O)cn1 1076424444 VMMSEBCKHPTVDK-NSHDSACASA-N 316.361 -0.182 30 20 DBED C=CCOCC(=O)N[C@@H](C)CCNC(=O)c1cc(=O)n(C)cn1 1077129369 GAVWXTDOECXHSE-NSHDSACASA-N 322.365 -0.393 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)C[C@@H]2NC(=O)c3ccccc32)C1 1077876969 RPKZKYDGTHMJDI-RRFJBIMHSA-N 313.357 -0.344 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2cnn(-c3ccncc3)c2)C1 1077907182 YHEJJOCDQCQSMC-HUUCEWRRSA-N 311.345 -0.325 30 20 DBED C=CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)CNC(N)=O)C1 1079979836 OZYSQUGQMGTCBY-SNVBAGLBSA-N 312.370 -0.695 30 20 DBED C=CCOCC(=O)NC1(CO)CCN(C(=O)c2cn[nH]c2)CC1 1080772811 ATDCQRXXLVDNPW-UHFFFAOYSA-N 322.365 -0.304 30 20 DBED CC(C)(F)C(=O)N1C[C@H](CNC(=O)CSCC#N)[C@@H](O)C1 1081286788 PDMBJTZPUGKJSN-UWVGGRQHSA-N 317.386 -0.073 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@H](CNC(=O)CC(=O)NC)C1 1081433976 PLGSGXOILJYXTJ-MNOVXSKESA-N 311.382 -0.730 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1O 1081439252 NUTQFHUDAKPUAA-CHWSQXEVSA-N 319.365 -0.983 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1O 1081441580 JOYXADFXIOTTKY-WCQYABFASA-N 319.365 -0.832 30 20 DBED Cc1n[nH]cc1C(=O)N1C[C@@H](O)[C@@H](CNC(=O)C#CC(C)C)C1 1081463844 SNPXTSDBSYPYAF-GXTWGEPZSA-N 318.377 -0.073 30 20 DBED Cn1cncc1C(=O)N1C[C@@H](O)[C@H](CNC(=O)C#CC2CC2)C1 1081473301 FQSKMHNXYAXSRL-TZMCWYRMSA-N 316.361 -0.617 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1cnn2c1OCCC2 1081897125 IXUUTTCQNGQROR-VXGBXAGGSA-N 305.338 -0.382 30 20 DBED C#CCN1C[C@@H](NC(=O)C2CCS(=O)(=O)CC2)[C@H](OC)C1 1082195499 OCWCDFNPTPLLNR-CHWSQXEVSA-N 314.407 -0.740 30 20 DBED C#CCCN1C[C@@H](NC(=O)c2cccnc2C(N)=O)[C@H](OC)C1 1082381492 OCKXKHNUPAWWNZ-CHWSQXEVSA-N 316.361 -0.367 30 20 DBED C=C(C)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CN(C)CCO1 1083034600 JFHHUVSPLXEINW-ZNMIVQPWSA-N 309.410 -0.195 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2cc(Br)n[nH]2)C1 1083501326 HPZYADHOJAIBTG-SFYZADRCSA-N 314.143 -0.529 30 20 DBED C=CCn1cccc1C(=O)N[C@@H]1CN([C@H]2CCNC2=O)C[C@@H]1O 1083525904 RJZJIWWUBYMTIM-XBFCOCLRSA-N 318.377 -0.663 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)c2cc(C(N)=O)cs2)C1 1084093306 NSDAVYMSXFFQMZ-MNOVXSKESA-N 307.375 -0.355 30 20 DBED N#Cc1c[nH]c(C(=O)N2C[C@H]3CCN(CC(N)=O)C[C@H]3C2)c1 1087925360 IQMOELMULFEFIY-NEPJUHHUSA-N 301.350 -0.234 30 20 DBED CC(C)OCCC(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1O 1090397105 KGOXOBVZCIHXRY-CHWSQXEVSA-N 319.365 -0.171 30 20 DBED CC(C)[C@@H](O)C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1O 1090408291 OQUPYRMODIAHRS-GIPNMCIBSA-N 305.338 -0.969 30 20 DBED C=CCCCC(=O)N[C@@H]1CN(c2ccc3nnnn3n2)C[C@H]1O 1090527377 WPQRBVJHEKBIQL-GHMZBOCLSA-N 317.353 -0.459 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CCN(Cc3nnnn3C)C[C@H]2O)C1 1090554116 VPUIHPPBFAZVCT-VXGBXAGGSA-N 320.397 -0.382 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2CCN(CCOC)C[C@@H]2O)cn1 1090739962 QGDYSEUFUONSGS-GJZGRUSLSA-N 303.362 -0.126 30 20 DBED CC(=O)NCC(=O)NC[C@H]1CC[C@@H](N=c2cc[nH]c(C#N)n2)C1 1091538718 VECGKXFDIATOTN-NWDGAFQWSA-N 316.365 -0.397 30 20 DBED COCC(=O)NC[C@]1(C)CN(c2cnc(C#N)cn2)CCO1 1092719353 NDEOUJFBHNATGG-CQSZACIVSA-N 305.338 -0.294 30 20 DBED N#Cc1cncc(NCCNC(=O)[C@@H]2CCCS(=O)(=O)C2)n1 1093866515 FGRFYFUSTPOOCW-SNVBAGLBSA-N 323.378 -0.299 30 20 DBED CC#CCN1CCN(C(=O)c2cnco2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094649911 PRUIRUWLSQUSEO-NWDGAFQWSA-N 323.374 -0.379 30 20 DBED CN(C)CCOCC(=O)N1CC[C@@H](Nc2ccc(C#N)nn2)C1 1095048618 HTVJSFNEWKZIRH-CYBMUJFWSA-N 318.381 -0.061 30 20 DBED CN(CCCNC(=O)c1cc(=O)n(C)o1)c1cncc(C#N)n1 1095542228 JOQYGGCANPNSML-UHFFFAOYSA-N 316.321 -0.104 30 20 DBED CN(CCCNC(=O)[C@H]1COC(=O)N1)c1ccnc(C#N)n1 1095546904 KQYPRVHMPFKRAQ-SECBINFHSA-N 304.310 -0.601 30 20 DBED CCC(=O)NCC(=O)N[C@@H]1CCN(c2nc(C)cc(C#N)n2)C1 1096331489 OOGWHTRAMFCPRH-LLVKDONJSA-N 316.365 -0.122 30 20 DBED CNC(=O)CCCC(=O)N[C@H]1CCN(c2ccnc(C#N)n2)C1 1096363549 YMWPTRZBULMACB-NSHDSACASA-N 316.365 -0.041 30 20 DBED CC(=O)NCC(=O)N1[C@H]2CC[C@H]1CN(c1cncc(C#N)n1)C2 1096879046 GEOXAONHXLRHQF-STQMWFEESA-N 314.349 -0.336 30 20 DBED C[C@@H](CNC(=O)C[C@H]1CC(=O)NC1=O)Nc1ccc(C#N)cn1 1097945573 QLALEPQNMANFNM-ONGXEEELSA-N 315.333 -0.077 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)Nc1ccc(C#N)nc1 1098305173 RWMMCHNHAPOGSV-KWQFWETISA-N 316.321 -0.532 30 20 DBED C[C@H](NC(N)=O)C(=O)NCC[C@@H](C)Nc1nccnc1C#N 1099041127 PPKVVNGFJZSTBN-BDAKNGLRSA-N 305.342 -0.288 30 20 DBED C[C@H](CCNC(=O)c1cnn(C)n1)N=c1cc[nH]c(C#N)n1 1099303617 KLGBWNWJPCDKDF-SECBINFHSA-N 300.326 -0.481 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)C2(C)CCC2)[C@H](O)C1 1099944815 RATZKCWCSKUGAV-QWHCGFSZSA-N 307.394 -0.523 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)CC(=O)N(C)C)[C@H](O)C1 1100029598 QJTJVPCAYFDWQZ-CHWSQXEVSA-N 313.398 -0.781 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)Cn2ccnc2)[C@@H](O)C1 1100136271 KKEGJKHYDMYBSS-KBPBESRZSA-N 308.382 -0.363 30 20 DBED N#Cc1cccnc1N1CC[C@H](CNC(=O)Cn2ncnn2)C1 1101017361 DDDNAHVPTAVGHD-LLVKDONJSA-N 312.337 -0.418 30 20 DBED CNC(=O)CC(=O)N1C[C@H]2CN(CC#CCOC)C[C@@]2(C)C1 1101210794 CRTRLDOUENBPSY-CJNGLKHVSA-N 307.394 -0.447 30 20 DBED C=CCN1C[C@@H]2CN(C(=O)CNC(=O)CNC(C)=O)C[C@]2(C)C1 1101283031 PBLKFXWXKVMFHF-CJNGLKHVSA-N 322.409 -0.795 30 20 DBED CN1CC[C@H](CC(=O)N(C)CCN=c2cc[nH]c(C#N)n2)C1 1101693968 IHUIFRWPMWYGHF-GFCCVEGCSA-N 302.382 -0.018 30 20 DBED CC#CCN1C[C@@H](C)[C@H](CNC(=O)Cn2ncn(C)c2=O)C1 1102106532 RWQLITOMHDHUHT-CHWSQXEVSA-N 305.382 -0.711 30 20 DBED C=C(C)CN1C[C@@H](C)[C@H](CNC(=O)CN2CCNC(=O)C2)C1 1102214921 GKWZMGBOWGQLRM-ZIAGYGMSSA-N 308.426 -0.322 30 20 DBED CC[C@H](CNC(=O)[C@@H]1COCCN1C)Nc1cncc(C#N)n1 1103036756 QVTRJXHLGQCMMA-YPMHNXCESA-N 318.381 -0.014 30 20 DBED COC[C@H](C)C(=O)NC[C@@H]1CN(c2ccc(C#N)nn2)CCO1 1104310193 PSZJMLZWHINMSL-WCQYABFASA-N 319.365 -0.048 30 20 DBED CN(CCN(C)c1cncc(C#N)n1)C(=O)CNC(=O)C1CC1 1105333688 QLWYKKGZNDDGBD-UHFFFAOYSA-N 316.365 -0.231 30 20 DBED N#Cc1cncc(NC[C@@H]2CCC[C@@H]2NC(=O)CC(N)=O)n1 1105652017 OUAVLIFEVSZNDO-ONGXEEELSA-N 302.338 -0.080 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@H](O)CNc1ccc(C#N)nn1 1105806565 ZUVLAVLMYMCGET-SMDDNHRTSA-N 305.338 -0.436 30 20 DBED N#Cc1nccnc1NC[C@@H](O)CNC(=O)c1ccc(O)nc1 1105848741 UJRKQIYYBRVVFL-SNVBAGLBSA-N 314.305 -0.348 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)[C@H]2CCCC(=O)N2)nc1 1105997327 OUMWGLVBYKMOET-VXGBXAGGSA-N 317.349 -0.489 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](C)[C@H](CNCCC[C@H](C)O)C1 1106034241 ANYHQMPCRNBIRH-QLFBSQMISA-N 323.437 -0.029 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](C)[C@H](CNCc2cnon2)C1 1106034577 HIXNEVISYXCZMO-VXGBXAGGSA-N 319.365 -0.607 30 20 DBED N#Cc1nccnc1NC[C@H](O)CNC(=O)[C@@]12COC[C@@H]1C2 1106145865 USGBPWOPBOZZMT-BHDSKKPTSA-N 303.322 -0.726 30 20 DBED C[C@@H](CC(N)=O)C(=O)NC/C=C\CN=c1cc[nH]cc1C#N 1107450981 HMJDDSKHOVHRAE-QUCGXOGASA-N 301.350 -0.029 30 20 DBED C[C@@H](C(N)=O)N1CCO[C@](C)(CNC(=O)CSCC#N)C1 1107753498 HAFPUGAAYWSTAU-GXFFZTMASA-N 314.411 -0.676 30 20 DBED C[C@H](CNc1cnc(C#N)cn1)NC(=O)[C@@H]1CCS(=O)(=O)C1 1108000814 BARXLASAWHKIHY-NXEZZACHSA-N 323.378 -0.300 30 20 DBED CC#CCN1CCO[C@](C)(CNC(=O)c2c[nH]c(=O)cn2)C1 1108168263 YIEQGSOSRRULSJ-OAHLLOKOSA-N 304.350 -0.386 30 20 DBED C=CCN1CCO[C@@](C)(CNC(=O)C2CC(=O)NC(=O)C2)C1 1108278572 QCYZJVHNXPXOBR-HNNXBMFYSA-N 309.366 -0.568 30 20 DBED C#CCCN1CC(N2C[C@@H](NC(=O)CSCC#N)CC2=O)C1 1108511275 ORVRPIUVXLJRLO-LBPRGKRZSA-N 320.418 -0.332 30 20 DBED C[C@@H](CNc1cnc(C#N)cn1)NC(=O)[C@H]1CCCC(=O)N1 1108570873 JAZJJZGJGFOEFP-GXSJLCMTSA-N 302.338 -0.066 30 20 DBED COCC#CCN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1ncnn1)C2 1108687902 JZCKSNOXIGPHBQ-IHRRRGAJSA-N 318.381 -0.708 30 20 DBED C[C@H](CN(C)c1ccnc(C#N)n1)NC(=O)[C@H]1COCCO1 1108829918 XSSGTUJFBXCWAR-GHMZBOCLSA-N 305.338 -0.295 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H]1CC(=O)N(C)C1 1109361442 WMFUUCDQLRFFQA-XGUBFFRZSA-N 319.405 -0.164 30 20 DBED CN(CCCNc1cnc(C#N)cn1)C(=O)[C@@H]1CCC(=O)N1 1109486741 LVJPPFSFUYZOAT-NSHDSACASA-N 302.338 -0.113 30 20 DBED N#Cc1ccc(NC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C2CC2)nn1 1109963930 UJGRQBIYVUXJRM-MNOVXSKESA-N 315.337 -0.664 30 20 DBED CC(=O)N[C@@H](C)C(=O)NCC1(Nc2nccnc2C#N)CC1 1110056369 RRVVCGWTGWFGTG-VIFPVBQESA-N 302.338 -0.066 30 20 DBED CC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H](C)NC(=O)COC 1110586202 QLQDZUFHHGPIJX-DGAVXFQQSA-N 307.394 -0.118 30 20 DBED N#Cc1nccc(N2CC[C@](O)(CNC(=O)c3ccon3)C2)n1 1111052462 RYHQMFMLMGZJPI-AWEZNQCLSA-N 314.305 -0.293 30 20 DBED CC(=O)NCC(=O)N1C[C@H](C)[C@H](CNc2ccc(C#N)nn2)C1 1111232168 CILPURYRZHSHRN-CMPLNLGQSA-N 316.365 -0.009 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H]1COCCN1c1ncc(F)cn1 1111700021 HNMDKQJMVWHTFG-WCQYABFASA-N 322.340 -0.025 30 20 DBED C[C@H]1CN(C(=O)CNC(N)=O)C[C@@H]1N=c1cc[nH]cc1C#N 1112306877 NSFNADUSEUREJP-CABZTGNLSA-N 302.338 -0.698 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)c2csnn2)CC1 1113167201 BZWPXJCXRLYKQT-SNVBAGLBSA-N 307.379 -0.566 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)c2cnc(C)n2C)CC1 1113258059 WVKHBBQEWSSEPE-LBPRGKRZSA-N 317.393 -0.376 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)c2cn(C)c(O)n2)CC1 1113297996 ROQGZTXFEALIBM-NSHDSACASA-N 321.381 -0.426 30 20 DBED C=CCNC(=O)NC(=O)CN1C[C@H]2[C@H](NC(=O)CC3CC3)[C@H]2C1 1113770118 PHMNFOGXLJONTQ-JYAVWHMHSA-N 320.393 -0.155 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)Cc3cc[nH]n3)[C@@H]2C1 1114087978 GIAZAEPAMXYZEI-CYZMBNFOSA-N 315.377 -0.864 30 20 DBED N#CCNC(=O)CN1C[C@@H]2C(NC(=O)CCc3ccoc3)[C@H]2C1 1114132475 FLCNPDNOTYVGGM-STQMWFEESA-N 316.361 -0.102 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@@H]2CN(CCCOC(C)C)C[C@@H]12 1114170698 VMDGEVJHFMXXBT-ZIAGYGMSSA-N 321.421 -0.013 30 20 DBED CN(C)CC1(C(=O)NC2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]23)CC1 1114743620 MVDSPBDRQVBASK-VXGBXAGGSA-N 319.409 -0.986 30 20 DBED C[C@H](NC(=O)c1ccco1)C(=O)NC1[C@@H]2CN(CC#N)C[C@@H]12 1115268279 SULDKLWZYDNICF-HBNTYKKESA-N 302.334 -0.032 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)Cc3ccc[nH]3)[C@H]2C1 1115268557 YJGHXPNCEKIZRG-UYHMYPTGSA-N 314.389 -0.259 30 20 DBED C[C@H](CN(C)C(=O)CCCC(N)=O)N=c1cc[nH]c(C#N)n1 1115774565 DNHFDHAWEHDUNR-SNVBAGLBSA-N 304.354 -0.315 30 20 DBED N#CCOc1ccc(NC(=O)C(=O)NC[C@]2(O)CCOC2)cc1 1116375353 GOADZFRUMQNHJQ-OAHLLOKOSA-N 319.317 -0.205 30 20 DBED CC#CCCNC(=O)C(=O)NC[C@@H](C)CN1CCN(CC)CC1 1117086077 QNLARQXJZNWEKJ-OAHLLOKOSA-N 322.453 -0.094 30 20 DBED C=CCN(C(=O)C(=O)N1CCN(C(=O)COC)CC1)C1CC1 1117915181 ACNZHWZYMMHPCO-UHFFFAOYSA-N 309.366 -0.519 30 20 DBED N#Cc1cncc(N[C@H](CO)CNC(=O)C[C@@H]2COC(=O)C2)n1 1121302933 JLPXKZFRMXOQPS-ONGXEEELSA-N 319.321 -0.810 30 20 DBED Cc1nc(C(=O)NC[C@H](CO)Nc2nccnc2C#N)co1 1121371447 NYBSXUZROKVRLE-SECBINFHSA-N 302.294 -0.153 30 20 DBED Cc1[nH]nc(C(=O)NC[C@H](CO)Nc2ccc(C#N)cn2)c1O 1121456330 WKERDENAMFOHDN-SNVBAGLBSA-N 316.321 -0.107 30 20 DBED CCn1cnc(C(=O)NC[C@@H](CO)Nc2cnc(C#N)cn2)c1 1121854001 IHYLAUYGRPGDBK-NSHDSACASA-N 315.337 -0.233 30 20 DBED COC[C@H](C)CC(=O)NC[C@H](CO)Nc1cncc(C#N)n1 1121985351 QTZABRFVOJNFSC-ZYHUDNBSSA-N 307.354 -0.090 30 20 DBED C#Cc1cncc(C(=O)NC[C@@H](CO)N=c2cc[nH]cc2C#N)c1 1122508509 OSLLNNUDUILABA-HNNXBMFYSA-N 321.340 -0.046 30 20 DBED N#Cc1cnc(N[C@H](CO)CNC(=O)Cc2cscn2)cn1 1122628591 BREHZVBTGNWYSQ-NSHDSACASA-N 318.362 -0.064 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)CCn1cncn1 1123660089 UNZOHVNUCPMZII-UHFFFAOYSA-N 321.385 -0.864 30 20 DBED C=CCOCC(=O)N(C)C[C@@H](O)CNc1nccnc1C#N 1124196446 MANBAURXYNAWAL-NSHDSACASA-N 305.338 -0.218 30 20 DBED CN(C[C@@H](O)CN(C)c1ccc(C#N)nn1)C(=O)c1cc[nH]n1 1125017966 LFENOMCCDHZSRW-NSHDSACASA-N 315.337 -0.359 30 20 DBED C#CCO[C@@H](C)C(=O)NCCNCc1cc(=O)c(OC)co1 1127052332 VFVXTJHFHBWHPP-NSHDSACASA-N 308.334 -0.108 30 20 DBED COC[C@H](O)CN1CCn2ncc(CNC(=O)[C@H](C)C#N)c2C1 1128265038 RXKPVXFLHBSNAN-DGCLKSJQSA-N 321.381 -0.518 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)Cc1cnn(C)c1C 1129064776 FIXYDFZLULGOBD-NSHDSACASA-N 307.398 -0.332 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1ccc(OC)c(F)c1 1129918145 XFKQZJZHZXCZNC-UHFFFAOYSA-N 307.325 -0.097 30 20 DBED C=C(C)CCN1CCNC(=O)CCN(C(=O)CC(=O)NC)CC1 1131351290 HQEWWGAYQPWGNP-UHFFFAOYSA-N 324.425 -0.261 30 20 DBED CC(C)N(C)CC(=O)N1CCC(=O)NCCN(CC#N)CC1 1131396889 JHFMCZXWWKUPSU-UHFFFAOYSA-N 309.414 -0.499 30 20 DBED C#CCN1C[C@H](NC(=O)CN(C)S(C)(=O)=O)CC[C@@H]1C 1132079278 WIXBWZCGYBPTFN-NWDGAFQWSA-N 301.412 -0.520 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@@H](C)NC(=O)C(C)(C)C 1132132456 KFKRDEILRIJXDT-NWDGAFQWSA-N 324.425 -0.619 30 20 DBED C#CCCNC[C@H]1CN(C(=O)CS(=O)(=O)NC)CC[C@@H]1C 1133334385 WSMFHRTVKGSIOX-STQMWFEESA-N 315.439 -0.367 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)NCCN[C@@H]1CCN(C)C1=O 1134817124 NYUDQHFKTBSYPR-CHWSQXEVSA-N 310.398 -0.606 30 20 DBED C=CCn1cc(C(=O)NCCN[C@H](C)c2nnnn2C)nn1 1134970436 WSSQTMCSDNTVQD-SECBINFHSA-N 305.346 -0.932 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1coc(COC)n1 1136036752 VMDZAZGYPCOBCC-JTQLQIEISA-N 308.338 -0.722 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CCCCN(C)C1=O 1147639241 OTPXVPJLWVCEJD-STQMWFEESA-N 322.409 -0.911 30 20 DBED COCC#CCN1CCC2(C1)CN(C(=O)[C@H]1CC(=O)N(C)C1)C2 1147658521 VMMQXSPUHAHMNE-AWEZNQCLSA-N 319.405 -0.351 30 20 DBED C#Cc1ccc(C(=O)NCCN[C@@H](C)C(=O)NC(=O)NC)cn1 1148389704 RJTSOKYWBIIZMC-JTQLQIEISA-N 317.349 -0.774 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cnc(C)nc1C1CC1 1149538860 PJJFSAYNUMGAPB-UHFFFAOYSA-N 315.377 -0.269 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)[C@H]1CCCCN1C 1154033851 OZCLLIGOAMRMDF-ZIAGYGMSSA-N 323.441 -0.063 30 20 DBED COCC#CCN1CC=C(CCNC(=O)[C@H]2COC(=O)N2)CC1 1159996537 HPPVCLZHRIBKMA-CQSZACIVSA-N 321.377 -0.117 30 20 DBED C=C(C)CN(CC)C(=O)CNCCCNC(=O)c1cnn[nH]1 1161691378 PQHDAUHSXBIJKC-UHFFFAOYSA-N 308.386 -0.061 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)Cc2ncc[nH]2)C1=O 1169205524 YOSVKNATKGZXFQ-LBPRGKRZSA-N 305.382 -0.165 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)c1c[nH]c(C)cc1=O 1170096737 AIKQMFWCUFBDCX-GFCCVEGCSA-N 318.377 -0.469 30 20 DBED CC#CCCCC(=O)N1CC[C@@H]2OCCN(CC(N)=O)[C@@H]2C1 1177080135 JWHLMZQDDFNEQJ-KGLIPLIRSA-N 307.394 -0.033 30 20 DBED C=CCNC(=O)CNCCCCCCNC(=O)[C@H]1C[C@H]1C(N)=O 1179601885 SPSFVGZMRMUIJG-OLZOCXBDSA-N 324.425 -0.324 30 20 DBED C#CCCN[C@H]1CCN(C(=O)CN2C(=O)NC(=O)C2(C)C)[C@H]1C 1179852301 IQPWXAJFXMTNLY-RYUDHWBXSA-N 320.393 -0.081 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](NCCCS(C)(=O)=O)C1 1182521751 ARSDJCABKPWDCR-CYBMUJFWSA-N 316.423 -0.349 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2csc(O)n2)C1 1185035912 SSEBGCSPKJAAII-NXEZZACHSA-N 322.390 -0.209 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@@H]1CN(C(C)=O)CC12CCOCC2 1186212459 LGVDYUYYUFZEHB-UKRRQHHQSA-N 321.421 -0.011 30 20 DBED C#CCNC[C@@H]1CN(C(=O)c2cnn[nH]2)CC12CCOCC2 1186410158 OOPFQOIXZFQCGG-GFCCVEGCSA-N 303.366 -0.104 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@@H]1CCN(C(=O)CNC(=O)OC)C1 1189104515 KCFKIZYXKVUQJJ-VXGBXAGGSA-N 324.381 -0.987 30 20 DBED COC[C@H](C)CC(=O)N1CC[C@H]2CN(CC(=O)NCC#N)C[C@H]21 1189598648 RUBSSHMKSXUSTC-HZSPNIEDSA-N 322.409 -0.169 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2ccnc(O)c2)C1 1189621480 OKCITPYRBOPBNM-ZDUSSCGKSA-N 316.361 -0.317 30 20 DBED C=CCNC(=O)[C@H](C)N(C)[C@@H]1CCN(C(=O)c2nnn(C)n2)C1 1191792028 YCXABNRVPGHAAK-WDEREUQCSA-N 321.385 -0.953 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@]23CCC[C@@H]2C3)C1 1194847508 GVLVUESSLMJCSK-BRXULGCHSA-N 305.378 -0.913 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)[C@H]2CC(=O)N(C)C2)CC1 1196018377 QJQLFMDVOOXPMH-ZDUSSCGKSA-N 322.409 -0.699 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)C[C@H]2COC(=O)C2)CC1 1200071330 ZZESEANHRHHZPC-GFCCVEGCSA-N 321.377 -0.730 30 20 DBED C[C@H](C(=O)N1CCCO[C@H](CNCC(=O)NCC#N)C1)C1CC1 1200189999 MMFUIYJRGKTRMP-GXTWGEPZSA-N 322.409 -0.121 30 20 DBED C#CCNC[C@@H]1CN(C(=O)COCc2ccnn2C)CCCO1 1200786039 AWGZBCWMWZBHEA-OAHLLOKOSA-N 320.393 -0.223 30 20 DBED C=CCn1cc(C(=O)N2CCCO[C@@H](CNC[C@H](C)O)C2)nn1 1201586122 XEISCXYTXKNQQG-STQMWFEESA-N 323.397 -0.334 30 20 DBED COCC(=O)NCCC(=O)N1C[C@H]2CC[C@H]1[C@H](NCC#N)C2 1204418988 VKXZXCRTGKLVIF-XQQFMLRXSA-N 308.382 -0.368 30 20 DBED N#CCNC(=O)CNCC1CCN(C(=O)CCCC(N)=O)CC1 1206974228 UMOMJOYDXSWFKC-UHFFFAOYSA-N 323.397 -0.890 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1 1207821592 YRNDVRUZJPLNQA-ZDUSSCGKSA-N 313.361 -0.170 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)Cc2nonc2C)C1 1210411696 IEYSUPIDAVVIDA-LBPRGKRZSA-N 321.381 -0.197 30 20 DBED C#CCCN[C@H]1CCCN(C(=O)CN2C(=O)NC(=O)C2(C)C)C1 1210476429 XWRWGMFBVCVURR-LBPRGKRZSA-N 320.393 -0.079 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)c2ccon2)[C@H](OC)C1 1211929618 OTGSSUMCFVIBFA-RAIGVLPGSA-N 320.349 -0.759 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)[C@@H]2C[C@H]2CC)[C@H](OC)C1 1213462910 XEVMLBHGIAWIKN-AAVRWANBSA-N 307.394 -0.403 30 20 DBED COCC#CCN1C[C@@H](NC(=O)c2cccnn2)[C@H](OC)C1 1213606643 URHFOWCQQWPMJO-ZIAGYGMSSA-N 304.350 -0.445 30 20 DBED CCN(C(=O)CN1C[C@H](O)[C@H](NC(=O)[C@H](C)C#N)C1)C1CC1 1219383196 GKDSUHDCGLIPEV-RTXFEEFZSA-N 308.382 -0.682 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)C[C@H](C)N2CCCCC2=O)C1 1219621048 VOHTZNFKDJBRLF-ZNMIVQPWSA-N 321.421 -0.038 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@H](c2cccnc2)N(C)C)C1 1221102538 XOKWUOQAPBWZGB-PMPSAXMXSA-N 316.405 -0.131 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)CCCCCS(N)(=O)=O)C1 1221214004 NSZOFJOURTWFNH-NEPJUHHUSA-N 319.427 -0.817 30 20 DBED COCC#CCN1CC[C@@H]2CN(C(=O)[C@H]3CN(C)C(=O)N3)[C@@H]2C1 1221731276 AFZDTQUQAHBVSC-MGPQQGTHSA-N 320.393 -0.808 30 20 DBED C#CCOCCC(=O)NC1CCN(CCn2cncn2)CC1 1227322971 KLIGXHKOMLVEBQ-UHFFFAOYSA-N 305.382 -0.101 30 20 DBED C[C@@H]1CO[C@@H](C(=O)NC2CCN(CC(=O)NCC#N)CC2)C1 1228359668 BZSFAHKKNXFVOB-WCQYABFASA-N 308.382 -0.368 30 20 DBED COC[C@@H](C)CC(=O)NC1CCN(CC(=O)NCC#N)CC1 1229839620 RHDXLIJKDNHRIA-LBPRGKRZSA-N 310.398 -0.121 30 20 DBED C#CCCN1CCS(=O)(=O)[C@H](CCNC(=O)c2ncc[nH]2)C1 1230460929 VAGDCRIJXYKYKZ-GFCCVEGCSA-N 324.406 -0.348 30 20 DBED C=CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)CNC(=O)CC 1231225180 AWNPKZOSCKTSOP-GFCCVEGCSA-N 310.398 -0.653 30 20 DBED N#Cc1ccc(CCNC(=O)C(=O)NC[C@@H]2CNCCO2)cc1 1261635252 ZFLVWIFASCQSKN-AWEZNQCLSA-N 316.361 -0.678 30 20 DBED CC(C)[C@@H](C(=O)N[C@H]1CCCN(CC(=O)NCC#N)C1)N(C)C 1266246832 XKLIYVKNMXLNSI-ZFWWWQNUSA-N 323.441 -0.207 30 20 DBED C#CCNC(=O)[C@H](C)NCCCN(C)C(=O)[C@H]1CCCN1C 1268812107 RFYXHQRSXQFWAD-UONOGXRCSA-N 308.426 -0.343 30 20 DBED C=CCS(=O)(=O)CCNC(=O)CCN1C(=O)CCC1=O 1320022060 FBCPYICYCCLEKT-UHFFFAOYSA-N 302.352 -0.758 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@](C)(C#N)CCOC)C1=O 1324183662 YOPZFQZYQASGLR-AWEZNQCLSA-N 322.321 -0.602 30 20 DBED C#CCSCCNC(=O)N1C[C@@H](O)C[C@H](C(=O)OC)C1 1325974832 DMQFMLVFXHUARM-QWRGUYRKSA-N 300.380 -0.082 30 20 DBED COCCN(CCO)C(=O)C(=O)Nc1ccn(CCC#N)n1 1326071364 NGZGBHGISXEJKP-UHFFFAOYSA-N 309.326 -0.797 30 20 DBED C#CC1CCN(C(=O)C(=O)N[C@@H]2CC(=O)N(C(C)C)C2)CC1 1326879186 JLRTZJHKURSGEM-CYBMUJFWSA-N 305.378 -0.016 30 20 DBED C#C[C@H](NC(=O)C(=O)NC[C@H](C)CC(=O)OCC)[C@@H]1CCCO1 1327383743 SEMZGEGFSNZUHW-AGIUHOORSA-N 324.377 -0.011 30 20 DBED C=CCCN(C)c1nnnn1C[C@@H]1CCN(S(C)(=O)=O)C1 1335562178 IZFPBUUVGUNHBO-LLVKDONJSA-N 314.415 -0.033 30 20 DBED N#Cc1ccc(N2CCN(C(=O)C(=O)N3CC(F)C3)CC2)cn1 1335917077 BRDCZULRTGCHGZ-UHFFFAOYSA-N 317.324 -0.218 30 20 DBED C=CCN(C(=O)C1(NC(N)=O)CC1)[C@H]1CCS(=O)(=O)C1 1336789790 GCGMYXBGTNHWMT-VIFPVBQESA-N 301.368 -0.611 30 20 DBED C#CC1CCN(C(=O)C(=O)N2CCN(CCOC)C(=O)C2)CC1 1345974926 ZSVKALWSWUOMKD-UHFFFAOYSA-N 321.377 -0.825 30 20 DBED C#CC1CCN(C(=O)C(=O)N[C@@H](C)CS(=O)(=O)CC)CC1 1349213703 BNLNVTIEADQDNL-NSHDSACASA-N 314.407 -0.202 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)NC[C@]1(C)CCC(=O)N1 1349405468 BDWAOFCWGMSNDU-ABAIWWIYSA-N 309.366 -0.684 30 20 DBED CN[C@H](C)CCNC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1353302775 MDRCFVXEWKLUIZ-YPMHNXCESA-N 307.398 -0.701 30 20 DBED CCN(CC)C[C@H](C)NC(=O)Cn1cc(C#N)c(O)nc1=O 1362243503 SSFZPAUUQPZEDC-JTQLQIEISA-N 307.354 -0.333 30 20 DBED COCCn1cc(CNc2[nH]c(=O)n(C)c(=O)c2C#N)cn1 1363162474 ZWJCSSURORUURA-UHFFFAOYSA-N 304.310 -0.600 30 20 DBED CCn1ccc(CNC(=O)Cn2cc(C#N)c(O)nc2=O)n1 1363456293 RGGHLYUAKJMXBZ-UHFFFAOYSA-N 302.294 -0.647 30 20 DBED N#Cc1cn(CCNC(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)c(=O)nc1O 1365221373 XAVODJHXRLEEBW-MXWKQRLJSA-N 319.321 -0.560 30 20 DBED COC[C@H](O)CN1CC[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 1366686049 YNTYZSMNJWQXTB-WCQYABFASA-N 306.366 -0.055 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H](C)CNC(=O)c1cc(C(N)=O)ccn1 1369890211 LFINDQMSWHAWLM-VHSXEESVSA-N 317.349 -0.083 30 20 DBED C=C(Cl)CNC[C@@H](O)CNC(=O)Cc1nc2ncccn2n1 1379286884 LBNLHBDYWBBFSI-SNVBAGLBSA-N 324.772 -0.514 30 20 DBED Cc1cc(C)n(CCC(=O)NC[C@@H](O)CNC(=O)[C@@H](C)C#N)n1 1389111918 VUMATBCVYCMUCF-GXFFZTMASA-N 321.381 -0.357 30 20 DBED Cc1nn[nH]c1C(=O)NC[C@H](C)NC(=O)c1c[nH]c(C#N)c1 1392761505 OLLFGEVFSJEHPF-ZETCQYMHSA-N 301.310 -0.139 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1ccc2cccnn12 1410139275 QXKXEDZHDVTIOK-CMPLNLGQSA-N 315.333 -0.299 30 20 DBED C[C@H](CNC(=O)c1ccc(C#N)[nH]1)NC(=O)[C@H]1CCCC(=O)N1 1410230268 LBLFAPDWNUHGJO-MWLCHTKSSA-N 317.349 -0.210 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CCN(C(=O)C(C)(C)N2CCOCC2)C1 1414936158 AHADAUGZXPOJPS-STQMWFEESA-N 322.409 -0.026 30 20 DBED C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)[C@H]1CCC(=O)N1 1415140653 JLDKMNYXSRTMHF-WCBMZHEXSA-N 303.322 -0.601 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CCCN(C(=O)c2c[nH]c(C(N)=O)c2)C1 1415959839 JYDNNHXBDWUAMR-ONGXEEELSA-N 317.349 -0.006 30 20 DBED CCN1CCOC[C@H]1C(=O)N1CCC(NC(=O)[C@@H](C)C#N)CC1 1429665988 BUWYMUWGBGYXHB-JSGCOSHPSA-N 322.409 -0.026 30 20 DBED COC(=O)NCC(=O)NC1(CNC(=O)c2cc(C#N)c[nH]2)CC1 1432167714 ZMVZILBHDOVDEJ-UHFFFAOYSA-N 319.321 -0.379 30 20 DBED N#Cc1cn(CCC(=O)N2[C@H]3CC[C@H]2COC3)c(=O)nc1O 1434053942 BWWRGJSQBHLYCL-QWRGUYRKSA-N 304.306 -0.400 30 20 DBED C[C@@H](O)CN(C(=O)CCn1cc(C#N)c(O)nc1=O)C1CC1 1434150202 UBQUTVXWNGVBLT-SECBINFHSA-N 306.322 -0.418 30 20 DBED C[C@@H](NC[C@H](O)CNC(=O)c1cc(C#N)c[nH]1)C(=O)N(C)C 1438982511 ORKHGXTURDDQPG-KOLCDFICSA-N 307.354 -0.957 30 20 DBED CCN(CCNC(=O)[C@@H](C)C#N)C(=O)[C@@H](C)S(C)(=O)=O 1449509608 MXBXHUAGBJDGEG-VHSXEESVSA-N 303.384 -0.456 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CN(C)C(=O)CN(C)C1CCC1 1451878625 XAQDJRZYHKILCI-YPMHNXCESA-N 310.398 -0.434 30 20 DBED CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)Cn1cc(C#N)c(O)nc1=O 1464643429 NPXWYNCYXPZWDM-RKDXNWHRSA-N 321.337 -0.760 30 20 DBED CCN(C)C(=O)CN1CCN(CCN(C)C(=O)[C@@H](C)C#N)CC1 1494090172 BXKNAMVRJHSWFH-AWEZNQCLSA-N 323.441 -0.300 30 20 DBED C[C@@H](C#N)C(=O)NCCN1CCN(C(=O)[C@]2(C)CCOC2)CC1 1524095009 QZCLMXLKPNTIAQ-XJKSGUPXSA-N 322.409 -0.167 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)[C@@H]2C[C@H]2C(=O)O)CC1 1573310806 CWWQASWEIQLSMX-CHWSQXEVSA-N 321.377 -0.715 30 20 DBED C=CCC(C)(C)C(=O)NC[C@H](O)CN(C)C(=O)CNC(=O)O 1573350205 GBXJHVLMNRSIRH-JTQLQIEISA-N 315.370 -0.208 30 20 DBED C[C@]1(C#N)CN(C(=O)C2(S(C)(=O)=O)CCNCC2)CCO1 1576331059 UUXXPRDHUZKJPM-LBPRGKRZSA-N 315.395 -0.706 30 20 DBED CCn1cc(C#N)c(=O)n(Cc2cncc(-c3nn[nH]n3)c2)c1=O 1578737877 UVCWKNOHQZVOEQ-UHFFFAOYSA-N 324.304 -0.475 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)c1ccc(C(=O)O)cn1 1588465327 BXBZPVHLPAPDPN-UHFFFAOYSA-N 307.262 -0.052 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)Nc1cnn(C(C)(C)C(=O)O)c1 1588692975 OAQDOHDGVJURQW-SECBINFHSA-N 324.337 -0.042 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)NC1CCN(CC(=O)O)CC1 1588987715 BTOPPCJGTQHKDG-SNVBAGLBSA-N 318.399 -0.396 30 20 DBED COCC[C@@](C)(C#N)NC(=O)[C@H]1CCCN(CC(=O)O)C1=O 1593990188 XKBPNSYHHAVXFF-YGRLFVJLSA-N 311.338 -0.255 30 20 DBED Cc1c(C#N)cccc1NC(=O)C(=O)NC[C@](C)(O)C(=O)O 1594252893 IUJGYEYBLLFZJI-AWEZNQCLSA-N 305.290 -0.243 30 20 DBED CCN(CCC#N)S(=O)(=O)N1C[C@@H](C(=O)O)C[C@@H](O)C1 1596299687 VLHJUCZGSFESPE-VHSXEESVSA-N 305.356 -0.766 30 20 DBED COC(=O)CN(CC#N)S(=O)(=O)c1cc(C(=O)O)no1 1598860758 GRXBYRQKBXNMEA-UHFFFAOYSA-N 303.252 -0.940 30 20 DBED N#Cc1ccc(S(=O)(=O)N2CC(O)(C(=O)O)C2)cc1F 1601110690 GRJWPMVZVFLWAY-UHFFFAOYSA-N 300.267 -0.483 30 20 DBED CC(=O)NCC(C)(C)C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[nH]1 1602943574 CNVKTQQGWHXEKM-UHFFFAOYSA-N 317.313 -0.438 30 20 DBED N#Cc1ncc(NCCN2CCOCC2)nc1-c1nn[nH]n1 1606398380 ZESXRXXBQNMJQZ-UHFFFAOYSA-N 301.314 -0.728 30 20 DBED O=C(Cc1cccc(-c2nn[nH]n2)c1)N[C@@H]1CCCN(O)C1=O 1606600417 CGRCHFYYJSIOOI-LLVKDONJSA-N 316.321 -0.094 30 20 DBED N#C[C@H]1CN(S(=O)(=O)N[C@]2(C(=O)O)CCSC2)CCO1 1608179950 RAOHHZZORQSMDE-WCBMZHEXSA-N 321.380 -0.995 30 20 DBED CCN(C[C@@H](C)C#N)C(=O)Cn1cnc(-c2nn[nH]n2)c1C#N 1609221473 CVEJEJXTFPAPIY-VIFPVBQESA-N 313.325 -0.057 30 20 DBED O=C1CCCN1C[C@H](O)C/N=C1/NS(=O)(=O)c2ccccc21 1645535370 MZFHIYLRFBDMTJ-SNVBAGLBSA-N 323.374 -0.292 30 20 DBED CCO[C@H]1C[C@@H](O)C12CCN(C(=O)Cn1cnc(C#N)n1)CC2 1649725644 WIDOJIFMDXOADL-NEPJUHHUSA-N 319.365 -0.072 30 20 DBED COCC#CCN[C@H](C)CNC(=O)[C@@H](NC(N)=O)C(C)(C)C 1752913385 JNDXUQKQNLUTLR-VXGBXAGGSA-N 312.414 -0.187 30 20 DBED C=CCCN(C)[C@@H]1CCCN(C(=O)CNC(=O)CNC(C)=O)C1 1752993415 GFVSFGYHFPRAPH-CQSZACIVSA-N 324.425 -0.262 30 20 DBED C=C(Cl)CN(C)CCNC(=O)CCn1cc[nH]c(=O)c1=O 1753067013 FUZZUCTZYUJXRT-UHFFFAOYSA-N 314.773 -0.273 30 20 DBED C=CCN1CC[C@H](N(CC)CCNC(=O)c2ncn(C)n2)C1=O 1753081761 RKKOIZAERDBBJC-LBPRGKRZSA-N 320.397 -0.346 30 20 DBED Cn1[nH]c(CN2CC[C@@H](CNC(=O)C#CC3CC3)C2)nc1=O 1753125734 VKKXDLODHGAWJT-LBPRGKRZSA-N 303.366 -0.540 30 20 DBED C=CCNC(=O)CN(CCNC(=O)c1ccc(O)nn1)C1CC1 1753151447 ACRBHLGGIVFPPE-UHFFFAOYSA-N 319.365 -0.321 30 20 DBED C[C@H](C(=O)N(C)[C@H]1CCN(CC(=O)NCC#N)C1)n1cccn1 1753429389 GNZDVZZXQLDVNH-OLZOCXBDSA-N 318.381 -0.383 30 20 DBED CC(C)N(C)CC(=O)N[C@H]1CCC[C@@H]1CNCC(=O)NCC#N 1753900926 DBUVXISCIHLRDQ-KGLIPLIRSA-N 323.441 -0.159 30 20 DBED C=CCNC(=O)[C@H](C)NC[C@@H](C)NC(=O)Cn1ccnc1C 1754253179 ASFGLBNXDHHVHE-NEPJUHHUSA-N 307.398 -0.023 30 20 DBED CCc1n[nH]cc1C(=O)N(C)CCCNCC(=O)NCC#N 1754382173 FWAUOIDUWZBLQI-UHFFFAOYSA-N 306.370 -0.336 30 20 DBED C#CCN(C(=O)CN1CCNC(=O)C1)C1CCN(C(C)C)CC1 1754639360 FJHRDYYBSCXTDR-UHFFFAOYSA-N 320.437 -0.247 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@]1(C)CCN(CC(=O)NCC=C)C1 1754669865 HJKWJHYCNKBIPP-XJKSGUPXSA-N 307.394 -0.093 30 20 DBED C#CCNC(=O)[C@H](C)N1CC(O)(CNC(=O)C2(C3CC3)CC2)C1 1754769258 SKVWRDFVLJELKU-LBPRGKRZSA-N 319.405 -0.523 30 20 DBED COCC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CNC(=O)N1 1754868975 RESNNSUELOASFX-HZSPNIEDSA-N 320.393 -0.617 30 20 DBED NC(=O)C(=O)N1CCO[C@@H](CNCC#Cc2ccc(F)cc2)C1 1755008376 OTDSCMPYZLMMHD-AWEZNQCLSA-N 319.336 -0.521 30 20 DBED C=CCCCN[C@]1(CO)CCCN(C(=O)CCNC(N)=O)C1 1755091200 HTNRAUARQOUPSD-OAHLLOKOSA-N 312.414 -0.046 30 20 DBED C#CCOCCC(=O)N1CCC[C@@H]1CN(C)[C@H]1CCNC1=O 1755193099 RLZHUEGALJNJPR-KGLIPLIRSA-N 307.394 -0.162 30 20 DBED C#CCCN1CCO[C@]2(CCN(C(=O)[C@@H](C)CC(N)=O)C2)C1 1755402584 WPJCILKSZRQGGO-XJKSGUPXSA-N 307.394 -0.176 30 20 DBED C=CCNC(=O)[C@H](C)N[C@H](CO)CNC(=O)C1CC(F)(F)C1 1755626626 JNYMSKFZSOSUQJ-ONGXEEELSA-N 319.352 -0.211 30 20 DBED CC(C)C#CC(=O)N(C)C[C@H](O)CNC[C@@H]1CCc2ncnn21 1755776567 AXDJDRFMEYHYNP-UONOGXRCSA-N 319.409 -0.166 30 20 DBED C#CCN(CCNC(=O)C[C@H]1CCS(=O)(=O)C1)CCOC 1755839423 OELBKVXTOKIPIV-CYBMUJFWSA-N 316.423 -0.491 30 20 DBED O=C(C#CC1CC1)NCCCOCCNC(=O)Cn1cncn1 1756401285 FUAQWEMPSIHTSF-UHFFFAOYSA-N 319.365 -0.669 30 20 DBED C#CCOCCC(=O)N[C@@H](C)CN(C)C(=O)[C@H](C)NC(N)=O 1756447411 ZPMMOJFMYJMNBD-QWRGUYRKSA-N 312.370 -0.954 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H](CO)NC(=O)Cc1cc(C)on1 1756521910 YXVKLKBQYTZBPJ-YPMHNXCESA-N 323.349 -0.843 30 20 DBED C=CCC1(C(=O)NC[C@H](CO)NC(=O)Cn2ncnn2)CCC1 1756547824 FSHGHVGZQXTSBF-LLVKDONJSA-N 322.369 -0.987 30 20 DBED C#CCCCC(=O)N(C)C[C@@H](O)CNC(=O)[C@@H]1CCCNC1=O 1756660284 DKUFTFSKGOMKHH-QWHCGFSZSA-N 323.393 -0.748 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@H](NC(=O)Cc2ccoc2)C1 1757168111 HIJBLOVZHJFSFN-OLZOCXBDSA-N 308.334 -0.287 30 20 DBED C=CCCCC(=O)N1C[C@H](O)[C@H](NC(=O)CCNC(N)=O)C1 1757172916 YHCNXPKJOQVLED-MNOVXSKESA-N 312.370 -0.911 30 20 DBED CC(C)C#CC(=O)N(C)C[C@@H]1CCN1C(=O)[C@H]1CN(C)C(=O)N1 1757289946 MVDHBCANJCSKSL-QWHCGFSZSA-N 320.393 -0.271 30 20 DBED N#CCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C2)C1 1784849930 ZBIJBZIEJLKKCG-DMEJVMROSA-N 319.361 -0.378 30 20 DBED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](N)[C@H](C)CC)[C@H]2C1 1786824674 MLMRFAURIDMTFR-XSEXMBABSA-N 321.421 -0.027 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C)n(C)n1 1794724042 MRQMIAFTAYTLMK-JJLQDPRZSA-N 316.361 -0.435 30 20 DBED C=CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)C1 1800529576 SXVMRRQCOOWPBW-OHTBPHCPSA-N 321.377 -0.712 30 20 DBED N#CCC(=O)N1CC[C@@H](CNC(=O)CN)[C@@H]1c1cccnc1 1807030649 CKUSAMHEQXWWOK-WFASDCNBSA-N 301.350 -0.040 30 20 DBED C#CC(=O)N[C@H]1CCc2nc(NC(=O)CNC(C)=O)sc2C1 1825170784 IEEUNKAQEFJNML-VIFPVBQESA-N 320.374 -0.176 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](C)NC=O 1847806151 FHJPJNLCYROTQS-CRWXNKLISA-N 321.377 -0.639 30 20 DBED C[C@H](C(=O)N(C)CCC#N)N1CCc2nn(C)c(=O)cc2C1 78620651 BOIBQSQAIURWFE-LLVKDONJSA-N 303.366 -0.101 30 20 DBED CCOC(=O)CN(CC(N)=O)S(=O)(=O)CCCCC#N 264557250 MLCOJECJNWYSJL-UHFFFAOYSA-N 305.356 -0.640 30 20 DBED N#Cc1ncccc1S(=O)(=O)NCC(=O)NCC(F)(F)F 276971837 FSSWDCJIZLKRQU-UHFFFAOYSA-N 322.268 -0.090 30 20 DBED C#CCN(C)CCCNC(=O)C(=O)Nc1cc(OC)ncn1 293510486 XZTWQOVZAJPTJD-UHFFFAOYSA-N 305.338 -0.505 30 20 DBED COCCN1CN(/C(O)=N/[C@@H](C)CN2CCCC2=O)CC1=O 328733998 JVFXGJSUYUVXKL-NSHDSACASA-N 312.370 -0.341 30 20 DBED N#Cc1ncn(CC(=O)N2CSC[C@@H]2C(=O)N2CCCC2)n1 330290875 CORQMRGDFOZJLY-SNVBAGLBSA-N 320.378 -0.326 30 20 DBED C[C@H](CN1CCOCC1)NC(=O)C(=O)N1CCC(C#N)CC1 340251235 IHLCJVFBWSIXNY-GFCCVEGCSA-N 308.382 -0.415 30 20 DBED C[C@H](CN1CCN(C)CC1)NC(=O)CNc1ccc(C#N)cn1 345458392 ZEXOEQVJTIWVTP-CYBMUJFWSA-N 316.409 0.117 30 20 DBED C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cnc[nH]1 347044761 RXXZQYPPGJHHNS-SECBINFHSA-N 305.381 -0.227 30 20 DBED C=CCNC(=O)[C@H](C)S(=O)(=O)c1nnc(O)n1CC=C 350213676 ANHIWJOYIWBDRU-QMMMGPOBSA-N 300.340 -0.366 30 20 DBED N#Cc1cncc(S(=O)(=O)Nc2nc3ncccn3n2)c1 357396693 ZYEVXPLXELVVPG-UHFFFAOYSA-N 301.291 0.192 30 20 DBED CC[C@H](CC#N)NC(=O)Cn1ccc2c(=O)n(C)c(=O)n(C)c21 358076642 JFXGYRVWZCVFIE-SNVBAGLBSA-N 317.349 -0.153 30 20 DBED C=CCCn1cc(C(=O)N2CCN([C@H]3CCNC3)CC2)nn1 424171390 KTTHVIZTUWIGEO-ZDUSSCGKSA-N 304.398 -0.026 30 20 DBED C=CCn1cc(CNC(=O)N2C[C@@H](C)O[C@@H](C(=O)OC)C2)nn1 425884819 XKDPSWIFGGGKTE-ZYHUDNBSSA-N 323.353 -0.064 30 20 DBED CC1(C)CCCN1CCNS(=O)(=O)N1CCO[C@H](C#N)C1 452095679 ZDSWRLMXZUKEQJ-GFCCVEGCSA-N 316.427 -0.080 30 20 DBED C#CCN1CCC(C(=O)N2CC[C@@H](S(=O)(=O)NC)C2)CC1 490865691 GGDXEFJDTFJCRI-CYBMUJFWSA-N 313.423 -0.518 30 20 DBED C#CCN1CCC(C(=O)NCCS(=O)(=O)N(C)C)CC1 491652310 ATINBGOAQHLKAQ-UHFFFAOYSA-N 301.412 -0.661 30 20 DBED Cn1c(=O)c2cc(C(=O)NCC3(C#N)CC3)cnc2n(C)c1=O 515969865 TYLTTXMWLMHMJQ-UHFFFAOYSA-N 313.317 -0.334 30 20 DBED C=CCN1CC[C@H](N2CCN(C(=O)N3CCNCC3)CC2)C1=O 530222890 KDPYUSKNJUHTAN-AWEZNQCLSA-N 321.425 -0.584 30 20 DBED CNCCCNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 567471471 NNUQZIHOURJBBU-UHFFFAOYSA-N 310.379 -0.438 30 20 DBED N#Cc1cccc(CNC(=O)C(=O)NCCN2CCCC2=O)c1 582188853 GTYJEBMDWJZLOB-UHFFFAOYSA-N 314.345 -0.087 30 20 DBED C=CCn1cc(CNC(=O)Cn2cc(C(=O)OC)cn2)nn1 600034760 JIJYMBVDBGCQHX-UHFFFAOYSA-N 304.310 -0.236 30 20 DBED C=CCN1CCC(NC(=O)N2CC(NS(C)(=O)=O)C2)CC1 636739531 JJGWTBHOYCHDPD-UHFFFAOYSA-N 316.427 -0.420 30 20 DBED N#Cc1ccc([C@H](OC(=O)CN2C(=O)CCC2=O)C(N)=O)cc1 734558637 OPHAWRJCCDOQSG-AWEZNQCLSA-N 315.285 -0.223 30 20 DBED Cn1c(N)c(C=NNc2ccc([N+](=O)[O-])cn2)c(=O)n(C)c1=O 749815717 QEBARKWGVFWAQP-UHFFFAOYSA-N 319.281 -0.585 30 20 DBED C[S@@](=O)CCN1CCN(S(=O)(=O)CCCC#N)CC1 754423174 BSGIGNXFKGCCQU-GOSISDBHSA-N 307.441 -0.384 30 20 DBED CC(=O)NCC(=O)NCC(=O)OCC(=O)c1ccc(C#N)cc1 763672353 ZYYTVUQPHHACOY-UHFFFAOYSA-N 317.301 -0.464 30 20 DBED C#CC[C@@H](CO)NC(=O)CCN1C(=O)NC2(CCCC2)C1=O 816674844 LRGNRPIEUSCWDK-NSHDSACASA-N 307.350 -0.259 30 20 DBED C[C@](C#N)(CC(=O)O)C(=O)N1CC[C@@H](NS(C)(=O)=O)C1 819811473 PINHHZCSTQTSQD-LDYMZIIASA-N 303.340 -0.859 30 20 DBED C=CCn1cc(CNC(=O)NCCN2CCO[C@@H](C)C2)nn1 824278888 KPFVRBIKNQABIE-LBPRGKRZSA-N 308.386 -0.016 30 20 DBED CCn1ncc(C=NNC(=S)NCCN2CCOCC2)n1 841606198 AOYOURWDNCJGBO-UHFFFAOYSA-N 311.415 -0.572 30 20 DBED N#CCOc1ccccc1C(=O)NN1CCS(=O)(=O)CC1 862737259 QDWZLOVBFIQIJR-UHFFFAOYSA-N 309.347 -0.036 30 20 DBED C#CCNCC(=O)NS(=O)(=O)c1cc(OC)cc(OC)c1 901042415 QPAPMLUSSBWGKF-UHFFFAOYSA-N 312.347 -0.269 30 20 DBED CC(C)(C#N)CS(=O)(=O)NCCN1CCC2(C1)OCCO2 920098398 CMKJJWGIJOESQO-UHFFFAOYSA-N 317.411 -0.096 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H](NC(=O)c3cnon3)C2)nn1 938504303 TTYYEXCLMSPXEE-VIFPVBQESA-N 317.309 -0.508 30 20 DBED O=C1NC[C@@H](C(=O)N2CCCN(C(=O)C#CC3CC3)CC2)N1 941000756 HBWGLYMQOQLZAK-LBPRGKRZSA-N 304.350 -0.858 30 20 DBED C[C@H]1CN(CC#N)CC[C@@H]1NC(=O)c1cn(C)c(=O)n(C)c1=O 943233611 QCFMDKATJTXBFR-JQWIXIFHSA-N 319.365 -0.952 30 20 DBED C#CCN1CC[C@@H](NC(=O)CN2CCC(=O)NC2=O)[C@H](C)C1 944013701 BHNDFYCETRYSMM-VXGBXAGGSA-N 306.366 -0.612 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H]1CNC(=O)c1cc(=O)n(C)o1 944249927 SWTUDFMTSIUPIW-VHSXEESVSA-N 306.322 -0.141 30 20 DBED Cc1cc(C(=O)NC[C@H]2CN(C(=O)[C@@H](C)C#N)CCO2)n[nH]1 944504223 RGGRQBJXXMTSDK-ONGXEEELSA-N 305.338 -0.165 30 20 DBED C#CCCN1CCC2(CC1)CN(C(=O)[C@@H]1CCC(=O)N1)CCO2 949233048 BKXAPDLKILCSNA-AWEZNQCLSA-N 319.405 -0.018 30 20 DBED C[C@@H]1CN(C(=O)c2cnn[nH]2)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 951185974 IJWLXOYBINVKJQ-PRHODGIISA-N 313.321 -0.105 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H]1CNC(=O)C1CC(=O)NC(=O)C1 956187570 CGUZADVNJZTSBT-KOLCDFICSA-N 320.349 -0.694 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@](C)(NC(=O)c2cc(C(N)=O)c[nH]2)C1 957437622 BTYWPCNBKYFXTN-PSLIRLAXSA-N 317.349 -0.006 30 20 DBED C#CCN1C[C@H](CNC(=O)c2nn3c(c2C)OCCC3)[C@@H](O)C1 958122120 QENCLGQYBNDBCE-STQMWFEESA-N 318.377 -0.370 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2c(NC(C)=O)c[nH]c2C)C1 958196276 SQFHCWOSIZNDNE-TZMCWYRMSA-N 318.377 -0.063 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2ccc3ncn(C)c3n2)C1 958403766 JKFTYMAHWNMEGI-SMDDNHRTSA-N 313.361 -0.376 30 20 DBED C=CCCN1C[C@H](O)[C@H](CNC(=O)C2CC(=O)NC(=O)C2)C1 958477203 WEAGMIQUKUNMQA-NEPJUHHUSA-N 309.366 -0.976 30 20 DBED N#CCN1C[C@H](CNC(=O)c2noc3c2COCC3)[C@@H](O)C1 958725030 UZWRTJMODSDJNI-ONGXEEELSA-N 306.322 -0.707 30 20 DBED C#CCN1C[C@H]2[C@H](NC(=O)c3ccc(S(C)(=O)=O)o3)[C@H]2C1 961933711 RTLWREBHTMRXJC-IWIIMEHWSA-N 308.359 -0.024 30 20 DBED C#CCCN1C[C@H]2[C@H](NC(=O)[C@@H]3CCCCN3C(N)=O)[C@H]2C1 962274474 STLBNWODMXNPHE-RFQIPJPRSA-N 304.394 -0.011 30 20 DBED C#CCNC1CCC(N(C)C(=O)CN2CCC(=O)NC2=O)CC1 964132219 APXKRAKEODSVNH-UHFFFAOYSA-N 320.393 -0.079 30 20 DBED Cc1cc(C(=O)NC[C@@H]2COCCN2C(=O)[C@@H](C)C#N)cnn1 964180688 QZFVHOMRHOPMPW-GXFFZTMASA-N 317.349 -0.098 30 20 DBED N#Cc1ccc(C(=O)N2CCC3(CC2)C[C@H]3NC(=O)C(N)=O)[nH]1 965040097 POBIUEJUJCUJKU-LLVKDONJSA-N 315.333 -0.517 30 20 DBED O=C(N[C@@H]1COC2(C1)CN(C(=O)C#CC1CC1)C2)c1ncc[nH]1 965686247 FAOLBYKSPVWOQZ-LBPRGKRZSA-N 314.345 -0.077 30 20 DBED N#CCN[C@@H]1CCN(C(=O)c2ccccc2OCC(N)=O)C1 969259939 BTPPJFKDLWNOEC-LLVKDONJSA-N 302.334 -0.122 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)[C@@]3(C)CCC(=O)NC3)[C@H]2C1 977018474 VBPMTAMEUFJVAY-ANBXVWAOSA-N 318.377 -0.365 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]1CN(C)C(=O)c1c[nH]c(C(N)=O)c1 977746612 XUZZZLWGBZKXFE-MWLCHTKSSA-N 317.349 -0.054 30 20 DBED C=CCN(C)C1CCN(C(=O)c2cn(CC(N)=O)nn2)CC1 985801903 JAVGQJKVFQJQFI-UHFFFAOYSA-N 306.370 -0.514 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C[C@@H]1CCN(C(=O)C(N)=O)C1 988292065 MROIUCXLGCFFQY-XQQFMLRXSA-N 323.393 -0.240 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2CCC(=O)N2)C1 990496711 WUCGGMHYPFBNTC-UTUOFQBUSA-N 307.350 -0.817 30 20 DBED CN1CCCC[C@H](C(=O)NC2CN(C(=O)C#CC3CC3)C2)C1=O 996379712 CJRCEVQVLGNWJL-CQSZACIVSA-N 317.389 -0.015 30 20 DBED C=CCN[C@@H]1CN(C(=O)CN2CCC(=O)NC2=O)CC1(C)C 996495190 HPMRVESKROTNLX-LLVKDONJSA-N 308.382 -0.059 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2COC(=O)N2)C1 1000008429 BRQVZNJCQPSUNW-MXWKQRLJSA-N 309.322 -0.987 30 20 DBED C#CCN[C@@H]1CCCN(C(=O)c2nc(O)nc(O)c2OC)C1 1000686798 IPBQXTHIYYPYHP-SECBINFHSA-N 306.322 -0.276 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)C[C@H]1CCCN1C(=O)C(N)=O 1002920885 UEZBXCQHBWHVQC-OLZOCXBDSA-N 320.393 -0.981 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CC[C@H]1CN2C(=O)Cn1cnnn1 1007087501 KPOKWFBIKOKSBI-MXWKQRLJSA-N 303.326 -0.965 30 20 DBED C=CCN1[C@H]2CC[C@H]1CC(NC(=O)CN1CCNC(=O)C1)C2 1021345548 CEJUNJSVMOLVET-KBPBESRZSA-N 306.410 -0.284 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H]2C[C@@H](N[C@H]3CCC(=O)NC3=O)C2)c1 1021946166 ILFCXDCVKKFXQV-AXFHLTTASA-N 315.333 -0.458 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)C2CN(C(C)=O)C2)C1 1023528443 NCZRZMZCQLLSST-CHWSQXEVSA-N 323.393 -0.635 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@@H](CN[C@@H]3CCNC3=O)C2)c1 1026759463 IKCFSNWTUMGHKY-CMPLNLGQSA-N 301.350 -0.173 30 20 DBED N#CCN1CC(NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 1030718470 ZZIIOHRIZMQTLM-KGLIPLIRSA-N 308.382 -0.810 30 20 DBED C=CCN1CC[C@H](N2CC(CNC(=O)[C@H]3COCCO3)C2)C1=O 1031557076 KSZREXOKQJZXJT-UONOGXRCSA-N 323.393 -0.763 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(CC(=O)NC)C1 1033153620 JRKGRUOMWYLKAI-KGLIPLIRSA-N 306.410 -0.637 30 20 DBED C=C(C)CN[C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C[C@@H]1C 1036142344 KKWRKOQKYPDFKF-UONOGXRCSA-N 308.426 -0.179 30 20 DBED N#CCN1CC[C@@H]2CN(C(=O)CC3CS(=O)(=O)C3)CC[C@@H]21 1036753956 YOWNUCZBQZZLNS-OLZOCXBDSA-N 311.407 -0.133 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2[C@H]3C[C@H]2N(Cc2nnn(C)n2)C3)c1 1037583248 WCVAPLPTBAETKZ-GZBFAFLISA-N 323.360 -0.411 30 20 DBED N#CCN1CC[C@H]1CNC(=O)c1cn(C[C@@H]2CCOC2)nn1 1038870815 XWNOMDAGJVCGKI-RYUDHWBXSA-N 304.354 -0.358 30 20 DBED C#CCCCC(=O)NC[C@@]1(O)CCN(C(=O)c2[nH]nnc2C)C1 1039580062 NDQKKPCHNSHVGJ-HNNXBMFYSA-N 319.365 -0.390 30 20 DBED C=CCCC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1040611090 XROHZDFGZXGCSV-TWJWRFFLSA-N 308.378 -0.075 30 20 DBED Cc1cc(CC(=O)N2CC[C@@](O)(CNC(=O)[C@H](C)C#N)C2)n[nH]1 1040759982 FFVQJIFSAZCJOT-MEBBXXQBSA-N 319.365 -0.500 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CN(c3nccnc3C#N)C[C@H]2O)c[nH]1 1040956378 JLSPOABSDLRCLO-CHWSQXEVSA-N 323.316 -0.472 30 20 DBED C[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1NC(=O)[C@H]1CNC(=O)N1 1042461091 FAUSLVRULRESHA-YUSALJHKSA-N 314.349 -0.424 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)CO[C@H](C)CC)C1 1042612271 GLSIBCGDWRSXDZ-GFCCVEGCSA-N 314.382 -0.306 30 20 DBED C#CCCCCC(=O)N1CC(O)(CNC(=O)CC(=O)N(C)C)C1 1043102283 ODHDHYBVRMVUQY-UHFFFAOYSA-N 323.393 -0.652 30 20 DBED CCn1cnc(C(=O)NCC2(O)CN(C(=O)[C@H](C)C#N)C2)c1 1044026897 ITAJWBWITVIGCA-SNVBAGLBSA-N 305.338 -0.634 30 20 DBED C#CCN1CCC2(CC1)CO[C@H](CNC(=O)[C@H]1CCC(=O)N1)C2 1045665382 WZEGAMUXFNNAJB-UONOGXRCSA-N 319.405 -0.115 30 20 DBED N#Cc1cncc(N[C@H]2C[C@@H](CNC(=O)[C@H]3CCNC3=O)C2)n1 1046528898 DMPZACLUECLPLE-UMNHJUIQSA-N 314.349 -0.209 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)N2C(=O)CCC2=O)C1 1047400589 ANRHTMXWOJAFRD-AGIUHOORSA-N 321.377 -0.949 30 20 DBED N#CCN1C[C@H]2CN(C(=O)CCN3C(=O)CCC3=O)C[C@H]2C1 1048925477 TXZHQRXOHVNMDG-TXEJJXNPSA-N 304.350 -0.561 30 20 DBED C#CCCN1CCOC[C@@H]1CNC(=O)[C@H]1CCCCN1C(N)=O 1051200934 FOOYKKIPSVDTAV-UONOGXRCSA-N 322.409 -0.240 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@H]([C@H](C)NC(=O)C(N)=O)C2)nc1 1051301359 ACAAVMHBWVSMHJ-JQWIXIFHSA-N 314.345 -0.485 30 20 DBED CC(C)n1nnnc1CNC[C@@H]1CN(C(=O)[C@@H](C)C#N)CCO1 1051495121 QYNVHKADYGEJCW-NWDGAFQWSA-N 321.385 -0.269 30 20 DBED N#Cc1nccnc1N1CC[C@@H](NC(=O)c2cn[nH]c2)[C@H](O)C1 1051626005 HQTBHXLWRDWDGD-ZYHUDNBSSA-N 313.321 -0.559 30 20 DBED C#CCN1CC2(C1)CN(C(=O)C[C@H](C)N1CCCC1=O)CCO2 1053506866 TVNLAZZUTHAHDL-AWEZNQCLSA-N 319.405 -0.066 30 20 DBED C#CCN1CC2(CC[C@H](CNC(=O)c3ccc(O)nn3)O2)C1 1053566410 NUQYLVCBAYACMW-LLVKDONJSA-N 302.334 -0.221 30 20 DBED Cc1c(CC(=O)N[C@@H]2COC3(C2)CN(CC#N)C3)cnn1C 1053823145 FOXOHCYRNDHACP-ZDUSSCGKSA-N 303.366 -0.246 30 20 DBED CN1C[C@@H](C(=O)N2CCC[C@]3(CCN(CC#N)C3)C2)NC1=O 1054177373 KMMJLAUIHPISJJ-SWLSCSKDSA-N 305.382 -0.152 30 20 DBED N#Cc1ccc(N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)Cn2ncnn2)cn1 1055108884 MSVRWWOXUGWDIQ-XBFCOCLRSA-N 324.348 -0.134 30 20 DBED C=CCOCC(=O)N1C[C@@H]2CN(C(=O)Cn3cncn3)C[C@@H]2C1 1055249817 BXOUFKJROCZJFT-BETUJISGSA-N 319.365 -0.603 30 20 DBED CC#CCCCC(=O)N1CCC[C@@](CO)(NC(=O)CC(N)=O)C1 1055848455 ILEMYNKVALYYPX-MRXNPFEDSA-N 323.393 -0.475 30 20 DBED C[C@@H](C#N)C(=O)N[C@]1(CO)CCCN(C(=O)c2cnsn2)C1 1056093579 LAYOYPAMEMNDMS-TVQRCGJNSA-N 323.378 -0.219 30 20 DBED N#Cc1cnc(N2C[C@@H]3C(NC(=O)[C@@H]4[C@H]5COC[C@H]54)[C@H]3C2)cn1 1056365304 KNVJYQAYUGZLSW-ZXPJVPCYSA-N 311.345 -0.209 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)C1=COCCO1 1057439619 UNYAINNYIJMCIG-UHFFFAOYSA-N 310.350 -0.385 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)[C@H]1CCN(C)C1=O 1057525442 TVHMKCMSRLUJBE-CYBMUJFWSA-N 323.393 -0.939 30 20 DBED C#CCO[C@H](C)C(=O)N(CCO)CCNC(=O)c1cc[nH]c1 1057583880 AKBFWGVMPPUNNL-GFCCVEGCSA-N 307.350 -0.396 30 20 DBED N#Cc1nccc(N2CC[C@H](NC(=O)[C@H]3CCNC(=O)C3)C2)n1 1058336106 NJDAIBJDJXZVBR-QWRGUYRKSA-N 314.349 -0.431 30 20 DBED Cc1cc(N2CC[C@@H](NC(=O)c3nnn(C)n3)C2)c(C#N)cn1 1058516685 QISVCBMLTSGFHG-LLVKDONJSA-N 312.337 -0.206 30 20 DBED Cc1cc(C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N)c(C)nn1 1058657416 YUKGDDLERHISCN-JTQLQIEISA-N 319.365 -0.196 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)[C@]1(F)CCOC1 1058663257 MHQRQWVCVLHZBQ-GWCFXTLKSA-N 301.318 -0.788 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCOC[C@H]1CNC(=O)c1cnco1 1061731171 XYLYMRWWYFDDSJ-IAQYHMDHSA-N 323.349 -0.041 30 20 DBED C=C(C)CCC(=O)N1CCOC[C@@H]1CNC(=O)c1nnn(C)n1 1061778692 UILZHYPFNQECOM-NSHDSACASA-N 322.369 -0.476 30 20 DBED C=C(C)CCC(=O)N1CCOC[C@H]1CNC(=O)[C@H]1CNC(=O)N1 1061828623 YRKQZTNVQACXMU-VXGBXAGGSA-N 324.381 -0.632 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)c1cccnn1 1061848388 QIOYXAJZNXRQBA-MNOVXSKESA-N 303.322 -0.407 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)C1CCOCC1 1061848701 UEWQEJLYHBMAQQ-AAEUAGOBSA-N 309.366 -0.084 30 20 DBED C=CCOCC(=O)NC[C@H]1CCCCN1C(=O)c1nnn(C)n1 1062308799 USLFTBMTWNOGBC-LLVKDONJSA-N 322.369 -0.476 30 20 DBED N#Cc1nccnc1N1C[C@@H]2C[C@H]1CN2C(=O)Cc1nc[nH]n1 1062527701 IUCJEKJQXKXSNH-UWVGGRQHSA-N 310.321 -0.501 30 20 DBED N#Cc1nccnc1N1CC[C@H]2CN(C(=O)C(N)=O)CC[C@H]21 1064032494 AIXNIBBAMMGMBY-GXSJLCMTSA-N 300.322 -0.739 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H]1CN(C(=O)COCC)CCO1 1064807328 XSLVVMCWFVENGB-CHWSQXEVSA-N 312.366 -0.595 30 20 DBED C=CCOCC(=O)N1CCO[C@@H](CNC(=O)[C@@H](C)OCC)C1 1064976499 KFEAYZFVGMXIRJ-OLZOCXBDSA-N 314.382 -0.042 30 20 DBED C=CCOCC(=O)N1CCO[C@H](CNC(=O)COCC)C1 1064976684 NZVOYDJJZFWVIH-GFCCVEGCSA-N 300.355 -0.431 30 20 DBED C#CCO[C@H](C)C(=O)N1CCO[C@@H](CNC(=O)c2ccon2)C1 1065151665 BDXGCQZPJALZFC-NEPJUHHUSA-N 321.333 -0.330 30 20 DBED C=CCCCC(=O)N1CCO[C@@H](CNC(=O)[C@@H]2CCNC2=O)C1 1065545173 JBWWHQSZMWCBOU-QWHCGFSZSA-N 323.393 -0.178 30 20 DBED CNC(=O)CCCC(=O)NC[C@H]1CN(C(=O)[C@@H](C)C#N)CCO1 1065557891 WTQAHMXLBSWSDP-RYUDHWBXSA-N 324.381 -0.594 30 20 DBED CNC(=O)NCCC(=O)N[C@H]1CCCN(C(=O)[C@@H](C)C#N)CC1 1066131519 PBRMGXLTXNJMJR-RYUDHWBXSA-N 323.397 -0.038 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@H](CNc2ccc3nnnn3n2)C1 1066603470 ZHCXELHRFAXPRL-NXEZZACHSA-N 316.325 -0.682 30 20 DBED N#Cc1cnccc1N1C[C@H](CNC(=O)c2cnon2)[C@@H](O)C1 1067678335 QFBDSIRKHVHONE-GWCFXTLKSA-N 314.305 -0.437 30 20 DBED N#Cc1cnccc1N1C[C@@H](O)[C@H](CNC(=O)c2cnn[nH]2)C1 1067698154 SMACGVBFTIPHNV-ZWNOBZJWSA-N 313.321 -0.702 30 20 DBED N#Cc1c[nH]ccc1=NCC1CC(NC(=O)Cn2cnnn2)C1 1067829029 CSCGZKQROOFGTP-UHFFFAOYSA-N 312.337 -0.631 30 20 DBED CC(C)(C)C#CC(=O)N1CCOC2(C1)CN(C(=O)CC(N)=O)C2 1068396183 SMAQKYIIZBIRGB-UHFFFAOYSA-N 321.377 -0.649 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1COC2(C1)CN(C(=O)Cc1ccon1)C2 1069002301 DGDQSMGADCTICJ-PWSUYJOCSA-N 318.333 -0.137 30 20 DBED CN(C(=O)[C@H]1COC(=O)N1)C1CC(Nc2nccnc2C#N)C1 1069736112 WYTZVJVLRPTMQP-NWGYLPEXSA-N 316.321 -0.142 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H]2CCN(C)C2)C1 1070096278 RLKPPLSBPSNGSN-MJBXVCDLSA-N 304.398 -0.243 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CCCN(C(=O)CNC(C)=O)C1 1070369073 HRZIQXQJFDKWQP-IUODEOHRSA-N 311.382 -0.443 30 20 DBED C=CCCN1CC2(C1)CN(C(=O)C(N)=O)C[C@H]2c1n[nH]c(C)n1 1070449602 UEKAOTJVMODVPS-NSHDSACASA-N 318.381 -0.598 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CCCN(C(=O)CCn2cnnn2)C1 1071173092 YUPYQWQLMOQYLS-GHMZBOCLSA-N 305.342 -0.670 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1C 1072161936 SNKDFPIFFQLMOP-WDEREUQCSA-N 306.370 -0.152 30 20 DBED C=CCCOCC(=O)N[C@@H]1CCN(C(=O)CC(N)=O)C[C@@H]1C 1074029511 HIZRRQKZTLTEIO-NWDGAFQWSA-N 311.382 -0.192 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)c1cncn1C 1076220065 OJYLULBYGRNSKB-NSHDSACASA-N 319.365 -0.816 30 20 DBED C#CCOCCC(=O)NCC[C@H](C)NC(=O)[C@@H]1CCNC1=O 1076507423 GLGJVVPFUUFKFX-NWDGAFQWSA-N 309.366 -0.827 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H](C)CCNC(=O)CC(=O)N(C)C 1076571154 WOIUTVAYZODKMV-RYUDHWBXSA-N 311.382 -0.486 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)c2c(C)c[nH]c2CC(N)=O)C1 1077707577 QBRSYMIEXNWGCN-CHWSQXEVSA-N 320.393 -0.298 30 20 DBED C=CC(C)(C)C(=O)NCC[C@H](C)NC(=O)CN1C(=O)CNC1=O 1077743212 UMNQZSVGTYMFJV-JTQLQIEISA-N 324.381 -0.239 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)Cc2nc(C3CC3)nn2C)C1 1078203051 XDDJDXNNANBGFR-CHWSQXEVSA-N 317.393 -0.580 30 20 DBED C=CCN[C@@H]1C[C@@H](NC(=O)CN2CCNC(=O)C2)C12CCC2 1078695201 JMROECJGTQQWCQ-CHWSQXEVSA-N 306.410 -0.379 30 20 DBED CCN(C(=O)c1nnn(C)n1)C1CN(C(=O)C#CC(C)(C)C)C1 1080271019 GSTBQMINTIZUTK-UHFFFAOYSA-N 318.381 -0.068 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@H](CNC(=O)C2=COCCO2)C1 1081217045 BRUHXFAVTQFIHW-OLZOCXBDSA-N 322.361 -0.531 30 20 DBED CC(F)(F)C(=O)N1C[C@H](CNC(=O)CSCC#N)[C@@H](O)C1 1081286241 JDOVTBJHTNMCKO-IUCAKERBSA-N 321.349 -0.166 30 20 DBED N#CCSCC(=O)NC[C@H]1CN(C(=O)CC2CC2)C[C@H]1O 1081286804 PPJDPPLUGVWALM-NWDGAFQWSA-N 311.407 -0.021 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@H](CNC(=O)CC(C)(C)O)C1 1081450590 VXYCKYKYMPCNON-OLZOCXBDSA-N 310.394 -0.114 30 20 DBED CC#CCN1C[C@@H](NC(=O)c2cn(CCOC)nn2)[C@H](OC)C1 1081651978 HWLCOIUXRDTOSI-TZMCWYRMSA-N 321.381 -0.623 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CCCCN1C(=O)c1cnn[nH]1 1082160260 FSILNQQXTIGAES-LBPRGKRZSA-N 319.365 -0.045 30 20 DBED CN(C[C@@H]1CCN1CC#N)C(=O)c1ccc(-n2cnnn2)cn1 1085741118 JBFBXTPZJRDZME-LBPRGKRZSA-N 312.337 -0.273 30 20 DBED N#CCSCC(=O)N[C@@H]1CN(c2ncc(F)cn2)C[C@H]1O 1090373996 RLHVCKYQTWRSNJ-NXEZZACHSA-N 311.342 -0.462 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2cn3cccnc3n2)[C@H](O)C1 1090393137 GITWWYPYDWDEDD-TZMCWYRMSA-N 313.361 -0.082 30 20 DBED C=CCN1CC[C@@H](NC(=O)c2cc(C(N)=O)cn2C)[C@@H](O)C1 1090399133 LMTXWVDARYJZHQ-YPMHNXCESA-N 306.366 -0.525 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CN(c2ncc(C#N)cc2F)C[C@H]1O 1090404075 HDJYNJIPDKWZJQ-XXILOJSOSA-N 303.297 -0.082 30 20 DBED COCC1(C(=O)N[C@@H]2CN(c3ccc(C#N)nn3)C[C@H]2O)CC1 1090506914 PAAJYNVPEVYUJX-VXGBXAGGSA-N 317.349 -0.559 30 20 DBED C=CCCN1CC[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)[C@H](O)C1 1090723455 WXZQYQUKAGFQGT-VXGBXAGGSA-N 324.381 -0.992 30 20 DBED COC[C@@H](OC)C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1C 1090821931 YFDQMOOMEFGKRE-RAIGVLPGSA-N 319.365 -0.049 30 20 DBED N#Cc1ccc(N[C@@H]2CC[C@H](CNC(=O)CC(N)=O)C2)nn1 1091569292 PGYSUIBTXVXGRC-VHSXEESVSA-N 302.338 -0.080 30 20 DBED CC(=O)NCC(=O)N1C[C@@H](C)[C@H](CNc2nccnc2C#N)C1 1092628938 SAUFLOZKSNUICR-ZYHUDNBSSA-N 316.365 -0.009 30 20 DBED CS(=O)(=O)CC(=O)NC1[C@H]2CN(c3ccncc3C#N)C[C@H]12 1093225803 KIIZHLAXDYDXMH-QWRGUYRKSA-N 320.374 -0.451 30 20 DBED Cc1cc(=NCCNC(=O)[C@@H](C)CS(C)(=O)=O)c(C#N)c[nH]1 1093681884 SKBWTKLMXRNBQM-JTQLQIEISA-N 324.406 -0.108 30 20 DBED C#CCCN1CC(n2cc(CNC(=O)c3ccnn3C)nn2)C1 1094278239 DDUICAVEDLMNOM-UHFFFAOYSA-N 313.365 -0.178 30 20 DBED N#Cc1nc(=NCCCNC(=O)COC[C@H]2CCCO2)cc[nH]1 1094479149 OLOBGUBWZCFEMJ-GFCCVEGCSA-N 319.365 -0.116 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)c3cc[n+]([O-])cc3)CC2=O)C1 1094698302 ALIFABVYOVSNFD-CYBMUJFWSA-N 316.361 -0.479 30 20 DBED CC#CCN1CC(N2C[C@@H](NC(=O)c3cn[nH]c3)CC2=O)C1 1094707137 JXECPTLAAHKDKY-LBPRGKRZSA-N 301.350 -0.552 30 20 DBED N#CCN1CC(N2C[C@H](NC(=O)c3ccnc(F)c3)CC2=O)C1 1094714023 ODUIXZBEIICFPH-LLVKDONJSA-N 317.324 -0.241 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)c3cncc(C#C)c3)CC2=O)C1 1094782885 GXPGTJGKVBGZLG-HNNXBMFYSA-N 322.368 -0.289 30 20 DBED CCNC(=O)CC(=O)N1CC[C@@H](Nc2cncc(C#N)n2)C1 1095036326 DMUMJCHJYIYRSC-SNVBAGLBSA-N 302.338 -0.113 30 20 DBED N#Cc1ccc(N2CCCN(C(=O)CNC(N)=O)CC2)nc1 1095163673 CHBZBDDWWABHRD-UHFFFAOYSA-N 302.338 -0.340 30 20 DBED N#Cc1ccc(N[C@@H]2CCCN(C(=O)CNC(N)=O)C2)nn1 1095274902 XKVUUBZLTQOCJV-SNVBAGLBSA-N 303.326 -0.581 30 20 DBED CS(=O)(=O)CCC(=O)N[C@@H]1CCN(c2cncc(C#N)n2)C1 1096502927 XSQVDNAYHMHHMO-SNVBAGLBSA-N 323.378 -0.522 30 20 DBED CC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN1C(=O)CN(C)C1=O 1096503693 MUZQMYNCGFOSLW-AGIUHOORSA-N 318.377 -0.375 30 20 DBED CCN1CCO[C@@H](C(=O)NC[C@H](C)Nc2cnc(C#N)cn2)C1 1097874445 GZCJRWNMIJEYRX-WCQYABFASA-N 318.381 -0.014 30 20 DBED CNC(=O)NCC(=O)NC[C@@H](C)Nc1nc(C)cc(C#N)n1 1098338659 HEKLXHDVAIDWNF-SECBINFHSA-N 305.342 -0.498 30 20 DBED C=CCNCc1cn([C@H]2CCN(C(=O)c3cnnn3C)C2)nn1 1098666642 CLEFVUZOCALAAD-LBPRGKRZSA-N 316.369 -0.231 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@H](n2cc(CNCC#N)nn2)C1 1098672649 HTNCFGUURJKCIE-OCCSQVGLSA-N 316.365 -0.297 30 20 DBED Cn1ncc(C(=O)N2C[C@@H](NCC#N)[C@H](C(F)(F)F)C2)n1 1099321764 LJGKOHLRQPYPOK-VXNVDRBHSA-N 302.260 -0.069 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)Cc2cccnc2)[C@H](O)C1 1099774451 AURJDYVNLMEQLP-HZPDHXFCSA-N 317.389 -0.175 30 20 DBED Cc1cc(C#N)nc(N(C)CCNC(=O)[C@@H]2CCNC(=O)C2)n1 1100006405 AYTTVNVYUNMPFZ-LLVKDONJSA-N 316.365 -0.265 30 20 DBED C=CCN1CC[C@H](NC(=O)C(C)(C)NC(=O)NCC)[C@H](O)C1 1100024310 HIXRJKAJEJHFSC-NWDGAFQWSA-N 312.414 -0.179 30 20 DBED C=CCN1CC[C@H](NC(=O)COCc2ncnn2C)[C@H](O)C1 1100057569 HLGJARKPYQWTPW-NWDGAFQWSA-N 309.370 -0.931 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)c2c[nH]cc2C)[C@@H](O)C1 1100107761 LISHEIROMPIPMA-KBPBESRZSA-N 320.393 -0.210 30 20 DBED CCN1CCO[C@H](C(=O)NCCN(C)c2ccc(C#N)nn2)C1 1100135057 GUTWKIZRJAVLOP-ZDUSSCGKSA-N 318.381 -0.379 30 20 DBED CN(CCNC(=O)C[C@H]1CCC(=O)NC1)c1cnc(C#N)cn1 1100182810 TVSGEVXLRCTJPW-LLVKDONJSA-N 316.365 -0.183 30 20 DBED CO[C@H](C(=O)NCCN(C)c1ccc(C#N)nn1)[C@H]1CCOC1 1100250632 JWKHRYBRJWKCLV-FZMZJTMJSA-N 319.365 -0.048 30 20 DBED CN(CCNc1ccc(C#N)nn1)C(=O)c1cccn2nnnc12 1101789564 GWFKJIBJWSOUPE-UHFFFAOYSA-N 323.320 -0.030 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)CCn1cnnn1 1104047452 ICECQJLUVRDVKB-JTQLQIEISA-N 315.341 -0.989 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)C[C@H](C)NC(N)=O 1104099783 QLLMGSICZDIGPV-ZJUUUORDSA-N 319.369 -0.619 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)[C@@H]1CCC(=O)N1C 1104761826 BDQKWFIRJHDFFJ-MNOVXSKESA-N 316.365 -0.350 30 20 DBED CC(C)[C@@H](CNC(=O)[C@H]1CCNC1=O)N=c1cc[nH]c(C#N)n1 1105263290 SVSBDEFIDCWTFJ-WDEREUQCSA-N 316.365 -0.541 30 20 DBED CN(CCN(C)c1ccnc(C#N)n1)C(=O)[C@@H]1CCCNC1=O 1105486251 TXKGNUYDVZPLAX-LLVKDONJSA-N 316.365 -0.231 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC(OC2CN(CC(N)=O)C2)CC1 1105708779 YXBMKWUUFIXFHP-LBPRGKRZSA-N 323.393 -0.798 30 20 DBED Cc1nccc(C(=O)NC[C@H](O)CN=c2cc[nH]cc2C#N)n1 1105861730 KXYGRVWOYGOBPH-GFCCVEGCSA-N 312.333 -0.324 30 20 DBED CCc1nc[nH]c1C(=O)NC[C@@H](O)CNc1cncc(C#N)n1 1105921221 AJNNBRUBGWMCCV-JTQLQIEISA-N 315.337 -0.163 30 20 DBED Cc1ccc(C#N)c(NC[C@H](O)CNC(=O)[C@@H]2CCNC2=O)n1 1106052366 YMVNGBVAPFGMEC-NWDGAFQWSA-N 317.349 -0.713 30 20 DBED Cc1nocc1C(=O)NC[C@@H](O)CNc1cncc(C#N)n1 1106083799 UGYOTWMMRLBBHU-JTQLQIEISA-N 302.294 -0.153 30 20 DBED C[C@]1(CNC(=O)CC2CS(=O)(=O)C2)CN(CC#N)CCO1 1108038518 UYFSVVAOUFPIKU-ZDUSSCGKSA-N 315.395 -0.848 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)COC[C@@H]2CCOC2)C1 1108253749 QBEJPIWLZJPMKD-ZBFHGGJFSA-N 310.394 -0.120 30 20 DBED CCCNC(=O)CCC(=O)N[C@@H](C)CN=c1cc[nH]c(C#N)n1 1108465620 WIYQTFNITITERZ-NSHDSACASA-N 318.381 -0.007 30 20 DBED CC#CCN1CC(N2C[C@H](NC(=O)[C@H](CC)OC)CC2=O)C1 1108517781 OBYHIFFMHGFVLK-OCCSQVGLSA-N 307.394 -0.164 30 20 DBED C[C@@H](CNc1cncc(C#N)n1)NC(=O)[C@H]1CCCC(=O)N1 1108570789 DPVWQBNMGKEYMZ-GXSJLCMTSA-N 302.338 -0.066 30 20 DBED COCCC[C@@H](C)C(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1 1108584159 BBZLPHRYYNCDBA-OLZOCXBDSA-N 322.409 -0.026 30 20 DBED C[C@@H](CNc1cnc(C#N)cn1)NC(=O)CCS(C)(=O)=O 1108773738 MNLAPMZNVYOPOR-VIFPVBQESA-N 311.367 -0.300 30 20 DBED C[C@H](CN(C)c1nccnc1C#N)NC(=O)CCNC(N)=O 1108961969 RZGXNTHTUBUQKH-SECBINFHSA-N 305.342 -0.652 30 20 DBED C=CCNC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CC(=O)NC 1109194632 VIPHERNZMJZLPE-RNJOBUHISA-N 322.409 -0.465 30 20 DBED C=CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCS(=O)(=O)NC 1109273947 XTFUZJHZMNPVIH-WOPDTQHZSA-N 301.412 -0.167 30 20 DBED C#CCOCCC(=O)N[C@]12CCC[C@H]1CN([C@H]1CCNC1=O)C2 1111745205 LZDVLNITLWULJB-ZQIUZPCESA-N 319.405 -0.115 30 20 DBED C#CCO[C@H](C)C(=O)N1CCN(Cc2nc(N(C)C)no2)CC1 1112844703 BURVGSDAJIUQAZ-GFCCVEGCSA-N 321.381 -0.182 30 20 DBED C[C@H](N=c1cc[nH]c(C#N)n1)[C@H](C)NC(=O)c1nccnc1N 1112937991 LLCKPEBHOYNEGG-IUCAKERBSA-N 312.337 -0.239 30 20 DBED Cc1ncc(CC(=O)N2CCN(CC(=O)NCC#N)CC2)o1 1112960996 UGDBZMHXKLGVLJ-UHFFFAOYSA-N 305.338 -0.691 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)Cn2cncc2C)CC1 1113111411 XPGYVNNCFVCGIP-CQSZACIVSA-N 317.393 -0.526 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)CC[C@H]2CCCOC2)CC1 1113473228 PRPMMCWIUOHEDP-CQSZACIVSA-N 322.409 -0.023 30 20 DBED Cc1ccc(C#N)c(N(C)[C@@H](C)CNC(=O)CNC(N)=O)n1 1113506475 IQDDBSYDICJWAY-JTQLQIEISA-N 304.354 -0.129 30 20 DBED CN1CC[C@H](CC(=O)N2CCN(CC(=O)NCC#N)CC2)C1 1113538286 HPMXUSYPSAXFNF-CYBMUJFWSA-N 307.398 -0.888 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3ccsn3)[C@H]2C1 1114447667 SPCVYPOEJBSFIO-UWVGGRQHSA-N 304.375 -0.448 30 20 DBED C=CCN1C[C@H]2C(NC(=O)CCc3nnc(O)nc3O)[C@@H]2C1 1114515465 DPVDCHWSIHSKMO-RKDXNWHRSA-N 305.338 -0.552 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1[C@@H]2CN(c3ccc4nnnn4n3)C[C@H]12 1114525241 JAAHXHJHISSKLF-DBIOUOCHSA-N 312.337 -0.523 30 20 DBED C=CCCN1C[C@H]2[C@H](NC(=O)C(C)(C)NS(C)(=O)=O)[C@H]2C1 1114942154 IWOITCGFHHJXBI-GDNZZTSVSA-N 315.439 -0.063 30 20 DBED C=CCOCCN1C[C@H]2C(NC(=O)C[C@H]3CCC(=O)N3)[C@@H]2C1 1114959430 CJWYJADQQJDFLV-JHJVBQTASA-N 307.394 -0.096 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)CCOCCOC)[C@H]2C1 1115335875 ASXVTUUZLGUUQF-FOLVSLTJSA-N 310.394 -0.264 30 20 DBED CS(=O)(=O)N1CCC[C@@H]1C(=O)NC1CCN(CC#N)CC1 1116007571 FJQKZINFVHTCHF-GFCCVEGCSA-N 314.411 -0.485 30 20 DBED N#CCNC(=O)COC(=O)CNC(=O)c1cc(Cl)ccn1 1116011352 VKYHRWQTBQTPEK-UHFFFAOYSA-N 310.697 -0.352 30 20 DBED C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N(C)CC(N)=O 1116508351 KEFHBGHTXOEUKF-VIFPVBQESA-N 304.306 -0.140 30 20 DBED C#CCCCNC(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 1116738750 LDMUKSLNZVKGDU-NSHDSACASA-N 315.395 -0.608 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CCC(CC(=O)NC)CC1 1117544901 RFXGECMCJNYRKB-GFCCVEGCSA-N 311.382 -0.322 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N1CC[C@@H](C(=O)N(C)C)C1 1118539527 SILPINVPUANZMW-CYBMUJFWSA-N 323.393 -0.579 30 20 DBED Cc1cc(C#N)nc(N[C@H](CO)CNC(=O)c2cnccn2)n1 1121036484 HWPLGOUINKZPGK-NSHDSACASA-N 313.321 -0.351 30 20 DBED N#Cc1nccnc1N[C@@H](CO)CNC(=O)Cc1cncnc1 1121412733 TXFDYNSKOVCNBQ-LLVKDONJSA-N 313.321 -0.730 30 20 DBED Cc1nonc1CC(=O)NC[C@H](CO)N=c1cc[nH]cc1C#N 1121955840 BEKQECRRRLJGPV-LLVKDONJSA-N 316.321 -0.802 30 20 DBED C#CCOCCC(=O)NC[C@H](CO)Nc1cc(COC)ncn1 1122026102 AVDIZJNYXSOPNI-CYBMUJFWSA-N 322.365 -0.448 30 20 DBED CN(C)[C@@H](C(=O)NC[C@@H](CO)N=c1cc[nH]cc1C#N)C1CC1 1122154568 ZBACLCLSAFHJQA-DZGCQCFKSA-N 317.393 -0.396 30 20 DBED N#Cc1cnc(N[C@H](CO)CNC(=O)c2cncnc2O)cn1 1122170376 BRIBXGXREAUMFT-VIFPVBQESA-N 315.293 -0.953 30 20 DBED Cn1cncc1C(=O)NC[C@H](CO)Nc1ccc(C#N)nn1 1122219534 XTUSHKSLFQBTKB-SNVBAGLBSA-N 301.310 -0.715 30 20 DBED N#Cc1nc(=N[C@@H](CO)CNC(=O)Cc2cscn2)cc[nH]1 1122652297 MRVKIBSUCQTBEU-SNVBAGLBSA-N 318.362 -0.642 30 20 DBED CC1(C)CN(C(=O)CNC(N)=O)C[C@@H]1Nc1ccc(C#N)nn1 1123902606 WFEVJVKQBYBKHV-JTQLQIEISA-N 317.353 -0.335 30 20 DBED Cc1ncc(C(=O)N(C)C[C@H](O)CNc2ccc(C#N)nn2)[nH]1 1124207986 ULYCMYUZAPALOR-LLVKDONJSA-N 315.337 -0.075 30 20 DBED C#CCNC(=O)CC(=O)NCCNCc1nnc(C)n1C1CC1 1125977920 IGIJDRUMGFIMBV-UHFFFAOYSA-N 318.381 -0.733 30 20 DBED O=C(C#CC1CC1)NCCNC[C@H](O)COC[C@H]1CCCO1 1126886447 SJZSHRGAQKGQQL-LSDHHAIUSA-N 310.394 -0.338 30 20 DBED C=CCNCc1nnc2n1CC[C@H](NC(=O)CNC(C)=O)CC2 1127917597 GMFKXHLLDVDSCO-GFCCVEGCSA-N 320.397 -0.489 30 20 DBED C=C(Br)CNCCNC(=O)[C@H](C)NC(=O)COC 1127966707 FGQGHRNLOMMTCX-VIFPVBQESA-N 322.203 -0.248 30 20 DBED C#CCN1CCn2ncc(CNC(=O)[C@@H](C)n3cncn3)c2C1 1128311767 AKVIXGIXFUSGET-GFCCVEGCSA-N 313.365 -0.199 30 20 DBED N#CCN1CCn2ncc(CNC(=O)Cn3cncn3)c2C1 1128575252 IGKUKFMBRPFGNM-UHFFFAOYSA-N 300.326 -0.870 30 20 DBED C=CCCC(=O)N[C@@H]1CN(CC(=O)NCC)C[C@@H]1n1ccnn1 1128807811 ZYCOFWJWRMYKJG-OLZOCXBDSA-N 320.397 -0.278 30 20 DBED CC#CCN[C@@H]1CN(C(=O)[C@H]2COCCO2)C[C@@H]1n1ccnn1 1129594831 RZFMIRNQACFEDA-HZSPNIEDSA-N 319.365 -0.942 30 20 DBED C=C(C)CN(CC)C(=O)CNCCNC(=O)C(C)(C)C(N)=O 1129931144 HYRSLFVLGYIFBD-UHFFFAOYSA-N 312.414 -0.372 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C)C[C@@H]1n1ccnn1 1129956976 QMBZQCOKFJPHIS-TUVASFSCSA-N 317.393 -0.075 30 20 DBED Cc1nc(CC(=O)NCCNCC(=O)NCC#N)c(C)s1 1130273048 MFEPEMIOTMHCOL-UHFFFAOYSA-N 309.395 -0.352 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)[C@@H]2COCCN2CC)C1=O 1130614993 HHJWBCGOGJVHOD-KBPBESRZSA-N 324.425 -0.800 30 20 DBED C#CCN1CCOC[C@@H]1c1n[nH]c(CNC(=O)CC(C)(C)O)n1 1130843794 YETNDEPZXWSPMF-LLVKDONJSA-N 321.381 -0.412 30 20 DBED C#CCCN1C[C@H]2C[C@@H]3CN(C(=O)[C@@H](C)NC(C)=O)C[C@@]3(C1)O2 1131177103 DUISVFXYUDCSHO-DNNBLBMLSA-N 319.405 -0.164 30 20 DBED C#CCN1C[C@@H](NC(=O)CCn2cc[nH]c(=O)c2=O)CC[C@H]1C 1132352945 CEXDWGUFYRJHHF-OLZOCXBDSA-N 318.377 -0.471 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)C[C@H](C)NCCn1cccn1 1134130802 MQTVCAXJKHBVQE-KBPBESRZSA-N 319.409 -0.105 30 20 DBED C=CCn1cc(C(=O)NCCN[C@@H](C)c2n[nH]c(C)n2)nn1 1134969997 NKXZHKDTCUDQHL-VIFPVBQESA-N 304.358 -0.029 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)c1oncc1C 1146528974 TZKIUUTWZDLPRU-JTQLQIEISA-N 323.353 -0.297 30 20 DBED C=CCNC(=O)CN(CC)[C@H](C)CNC(=O)C1CN(C(C)=O)C1 1152968580 HPBIMJKCEZWGQM-GFCCVEGCSA-N 324.425 -0.407 30 20 DBED C=CCNC(=O)NC(=O)CNCCCNC(=O)C(C)(F)F 1154114469 LFGVQFAMEOXLJP-UHFFFAOYSA-N 306.313 -0.251 30 20 DBED C=CCCN(CC)[C@H](C)CNC(=O)CNS(=O)(=O)NC 1154469428 YIEUQPNHQMQGCX-LLVKDONJSA-N 306.432 -0.557 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)c2ccnn2C)C1=O 1155480571 FXZNIVOCTMABBP-LBPRGKRZSA-N 305.382 -0.084 30 20 DBED C#CCCN(C)C[C@H]1CCCCN1C(=O)C[C@@H]1NC(=O)NC1=O 1158082778 LHMBMBNZBDTBSM-OLZOCXBDSA-N 320.393 -0.079 30 20 DBED C=CCNC(=O)CNCCCNC(=O)c1cc(CN(C)C)on1 1161558518 GGAKIMUCPNZUED-UHFFFAOYSA-N 323.397 -0.252 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1cc(Cl)n(C)n1 1162193071 GRYVGKOIGLCRCL-UHFFFAOYSA-N 311.773 -0.468 30 20 DBED COCC#CCNCC1(CCNC(=O)Cn2cnnc2O)CC1 1164196396 NYBPSHNJEOYLMN-UHFFFAOYSA-N 321.381 -0.490 30 20 DBED CN1CC(=O)N(CC(=O)NCCC2(CNCC#N)CC2)C1=O 1168024158 YSJLGFGMKWASPJ-UHFFFAOYSA-N 307.354 -0.720 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCCCN[C@H](CC)C(N)=O 1170310546 JGVBITVZUXIBGB-QWHCGFSZSA-N 324.425 -0.346 30 20 DBED CC(C)=CC(=O)N1CC[C@@H]2OCCN(CC(=O)NCC#N)[C@H]2C1 1176899484 AJGIZFNKQABVEX-KBPBESRZSA-N 320.393 -0.106 30 20 DBED C=CCOCC(=O)N1CC[C@H](NCC(=O)NC(=O)NC)[C@@H]1C 1178339145 WDISJYUQWAFAOR-QWRGUYRKSA-N 312.370 -0.776 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC[C@H](NCc2nnnn2C)[C@@H]1C 1178581797 AQBYITLTDVEUJJ-COPLHBTASA-N 308.386 -0.384 30 20 DBED C=CCNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CCCO2)C1 1180817969 WOMNVCLHNRWXAO-VXGBXAGGSA-N 324.381 -0.632 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)CCc2cncnc2)C1 1184281056 VCNFPGDKVSEZJO-CQSZACIVSA-N 315.377 -0.651 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2cc(C)ncn2)C1 1189674911 SIELBEWGBDYUDE-CYBMUJFWSA-N 315.377 -0.319 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](N(C)Cc2nncs2)C1 1189769120 GKDKUDGQAHTNJE-LLVKDONJSA-N 321.406 -0.290 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2coc(OC)n2)C1 1191561641 QKSYIWYUQFVAMU-LLVKDONJSA-N 320.349 -0.421 30 20 DBED CN(CC(=O)NCC#N)[C@H]1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 1192445279 LGCKLCCCUBZBLI-DGAVXFQQSA-N 320.393 -0.274 30 20 DBED CC#CCN(C)[C@@H]1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)C1 1192879453 VPIKNTNOKKTBKT-CYBMUJFWSA-N 318.377 -0.517 30 20 DBED C#CCCN(C)[C@@H]1CCN(C(=O)CN2C(=O)NC(=O)C2(C)C)C1 1193244816 TXPKZZAYBFOYMZ-GFCCVEGCSA-N 320.393 -0.127 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)c2ccns2)C1 1193385020 ZJAWFYMBSDARMC-GMTAPVOTSA-N 324.406 -0.391 30 20 DBED C=C[C@@](C)(CC)C(=O)N[C@@H]1CN(Cc2nnn(C)n2)C[C@H]1O 1195932252 KBOYRCNWSHXDOR-GYSYKLTISA-N 308.386 -0.526 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)CCc2ccccc2C(N)=O)C1 1197799817 RZCBLVCHKVQLJS-HUUCEWRRSA-N 315.373 -0.487 30 20 DBED C#CCNC[C@@H]1CN(C(=O)[C@H]2CCN(C)C(=O)C2)CCCO1 1200824298 LGJKKPROSKDBGQ-UONOGXRCSA-N 307.394 -0.305 30 20 DBED C#CCNC[C@H]1CN(C(=O)[C@@H](OC)c2cnn(C)c2)CCCO1 1201081616 YFZCKFQZZGWTDP-GJZGRUSLSA-N 320.393 -0.052 30 20 DBED C#CCCCC(=O)N1CCC[C@@H](NCc2nc(=O)n(C)[nH]2)C1 1207944081 IHTYPHIWCUVKFP-GFCCVEGCSA-N 305.382 -0.008 30 20 DBED C#CCN[C@H]1CCCN(C(=O)CS(=O)(=O)NC(C)(C)C)C1 1211133973 YDGDJWJWWUQINK-LBPRGKRZSA-N 315.439 -0.082 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(CC=C(C)C)C[C@H]1OC 1212150412 XFLRXSNSYUGEPT-ZIAGYGMSSA-N 307.394 -0.093 30 20 DBED C#CCCN1C[C@@H](NC(=O)COC[C@@H]2CCOC2)[C@H](OC)C1 1213513809 GURFKKIUNXGBRN-RBSFLKMASA-N 310.394 -0.122 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)c2coc(OC)n2)C[C@H]1C 1215236520 HVPVHCAUNXOCFT-GHMZBOCLSA-N 320.349 -0.517 30 20 DBED COCC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)Cc1cc[nH]n1 1217584515 CHEKUVIWMDCYKE-LSDHHAIUSA-N 318.377 -0.486 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCCCN2C)C1 1219879626 OLXXDTCOFIVZHN-ILXRZTDVSA-N 309.410 -0.718 30 20 DBED C=CCCCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCN(C)C(=O)C2)C1 1219884455 DUPINNBMGNQRPW-MJBXVCDLSA-N 309.410 -0.018 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)c2ncccc2F)C1 1220599982 WGARTHCYTBVZLZ-OLZOCXBDSA-N 307.325 -0.355 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)CCNC(=O)c2ccco2)C1 1220922966 WBWVCKPHCYVFLI-OLZOCXBDSA-N 319.361 -0.416 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)CCCNC(=O)c2ccco2)C1 1220958035 UOPWQFSNVWSBOM-OLZOCXBDSA-N 319.361 -0.416 30 20 DBED C=CCCC(=O)NC1CCN(CC(=O)N2CCNC(=O)C2)CC1 1226527226 FKMSHCZMZNVDCY-UHFFFAOYSA-N 322.409 -0.508 30 20 DBED C[C@H]1CO[C@@H](C(=O)NC2CCN(CC(=O)NCC#N)CC2)C1 1228359665 BZSFAHKKNXFVOB-DGCLKSJQSA-N 308.382 -0.368 30 20 DBED C#CCN1CCS(=O)(=O)[C@H](CCNC(=O)c2ccon2)C1 1230426359 XRYYESWSBPRRBQ-LLVKDONJSA-N 311.363 -0.473 30 20 DBED C#CCOCCC(=O)N(C)C[C@H]1CCN1CC(=O)NCC#N 1234256151 TXWKTKLPNAKSEH-CYBMUJFWSA-N 306.366 -0.801 30 20 DBED N#CCNC(=O)CN[C@H]1CCN(C(=O)CCc2ccccn2)C1 1317061709 GPEQZCYELPMCFP-AWEZNQCLSA-N 315.377 -0.156 30 20 DBED N#CCSCC(=O)NCc1ccc(C(=O)NCC(N)=O)cc1 1317942722 QUKWUNNVJAILDV-UHFFFAOYSA-N 320.374 -0.225 30 20 DBED C=CCNC(=O)COC(=O)C1CCC2(CC1)NC(=O)NC2=O 1318660934 USMBMXMJIFLORQ-UHFFFAOYSA-N 309.322 -0.400 30 20 DBED C=CCS(=O)(=O)CCNC(=O)[C@H]1CCc2nnc(C)n2C1 1320022671 OAHGSXVYFVTMKA-NSHDSACASA-N 312.395 -0.134 30 20 DBED CNCCCc1[nH]nc(NC(=O)[C@@H]2CCN(C)C2=O)c1C#N 1320427438 XTDQIRYUGMIEKM-VIFPVBQESA-N 304.354 -0.150 30 20 DBED C=CCSCCNC(=O)C(=O)NC1CN(C(=O)OC)C1 1321889292 NVTSHAPQIWIJPB-UHFFFAOYSA-N 301.368 -0.411 30 20 DBED O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)N[C@@H]1C=CCC1 1330468802 TXAXTIDWOQWRIF-JBEXSADBSA-N 318.333 -0.536 30 20 DBED C#CC[C@@H]1NC(=O)N(CCC(=O)N2CCN(C(C)=O)CC2)C1=O 1332914164 ZGNZJXKKRBHFSY-LBPRGKRZSA-N 320.349 -0.989 30 20 DBED C=CCn1c(CO)nnc1N1CCC(C(=O)NCCOC)CC1 1339165429 MXSMQYQRFUMQTQ-UHFFFAOYSA-N 323.397 -0.065 30 20 DBED C#CCC[C@@H](O)CNC(=O)NCCN/C(O)=C1\N=CC=CC1=O 1339811549 QELRMCCJZCNVSO-CLMBFONXSA-N 320.349 -0.414 30 20 DBED N#C[C@H](C(=O)Cc1ccco1)C(=O)N1CCS(=O)(=O)CC1 1346054411 OUZQSMCTDZKQDW-LLVKDONJSA-N 310.331 -0.212 30 20 DBED C[C@]1(C#N)CCCN(C(=O)C(=O)NCC(=O)N2CCOCC2)C1 1346244387 XPYQFNAOPOJHNP-OAHLLOKOSA-N 322.365 -0.886 30 20 DBED CC[C@@H](C#N)NC(=O)CS(=O)(=O)CC(=O)N[C@H](C#N)CC 1346463682 OGXLGOHJTRJLKR-UWVGGRQHSA-N 314.367 -0.762 30 20 DBED Cc1nn(C)cc1C1=NO[C@H](C(=O)N2CC(O)(CC#N)C2)C1 1362674909 GGYIRHRIAVOLMZ-LBPRGKRZSA-N 303.322 -0.292 30 20 DBED N#Cc1ncn(CC(=O)N[C@H]([C@H]2CCCO2)C2(CO)CCC2)n1 1362848351 REFISYPXDBLVAN-BXUZGUMPSA-N 319.365 -0.024 30 20 DBED CN(C)CCN1C[C@H](C(=O)Nc2nc(C#N)c(C#N)[nH]2)CC1=O 1363643206 QHKLVNNKJHPHTR-SECBINFHSA-N 315.337 -0.498 30 20 DBED COc1ncc(NC(=O)C2=NN(CCO)C(=O)CC2)cc1C#N 1364748765 LQHUMSKVYJOJGZ-UHFFFAOYSA-N 317.305 -0.129 30 20 DBED CNC(=O)NCC(=O)NC[C@H](O)CNCc1ccc(C#N)cc1 1367580311 KKRTXIFDLPJWII-CYBMUJFWSA-N 319.365 -0.946 30 20 DBED CCN(CCC#N)C(=O)CN1CC(NC(=O)Cn2cccn2)C1 1373410943 WPZMDERFNBCOBW-UHFFFAOYSA-N 318.381 -0.554 30 20 DBED CC(C)N(C)C(=O)[C@H](C)N1CC(O)(CNC(=O)[C@H](C)C#N)C1 1376142513 MWMRXJMBAIUMKZ-NEPJUHHUSA-N 310.398 -0.436 30 20 DBED CC(C)OCC(=O)N1CCN(CCNC(=O)[C@@H](C)C#N)CC1 1385570663 HXUQVQPKIBTYAQ-ZDUSSCGKSA-N 310.398 -0.169 30 20 DBED C[C@@H](C#N)C(=O)NCC1CN(C(=O)c2ccc(C(N)=O)cn2)C1 1387927342 IQAZKAVQKWDEAW-VIFPVBQESA-N 315.333 -0.472 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)CCS(C)(=O)=O)CC1 1389887865 HTMYTWKGATZHBR-SECBINFHSA-N 301.368 -0.654 30 20 DBED CC(=O)N[C@H](C)C(=O)N[C@H](C)CN(C)C(=O)c1cc(C#N)c[nH]1 1395555823 UEQZOWLYTDILTI-NXEZZACHSA-N 319.365 -0.012 30 20 DBED C=C(Cl)CN1CC(NC(=O)[C@@H](CCC)S(N)(=O)=O)C1 1404802515 ZQFUQHGYAHKJNN-SNVBAGLBSA-N 309.819 -0.004 30 20 DBED C[C@H](C#N)C(=O)NCCN1CCN(C(=O)c2cnn(C)c2)CC1 1407446289 IEUJMIKIUBKDRF-GFCCVEGCSA-N 318.381 -0.546 30 20 DBED CC(C)c1cc(C(=O)NC[C@@H](O)CNC(=O)[C@@H](C)C#N)n(C)n1 1410164087 JGGXMGCEFFQZIB-QWRGUYRKSA-N 321.381 -0.090 30 20 DBED N#CCCN(CCC#N)C(=O)CN1CC[C@@H](c2nn[nH]n2)C1 1413046546 DOQQWSYDZYTNMC-LLVKDONJSA-N 302.342 -0.355 30 20 DBED CO[C@@]1(C(=O)N2CC[C@](O)(CC#N)C2)CCS(=O)(=O)C1 1413184725 RMENGZJBYBKBLP-NEPJUHHUSA-N 302.352 -0.933 30 20 DBED C[C@H](C#N)C(=O)NC1CC(N(C)C(=O)CN2CCCNC2=O)C1 1426120570 JLZZDCZURLGCLD-VOMCLLRMSA-N 321.381 -0.333 30 20 DBED C[C@H](C#N)C(=O)N(C)C[C@H]1CCN(C(=O)Cn2cnnn2)C1 1430070083 KMSYOBMRLCHSIK-GHMZBOCLSA-N 305.342 -0.860 30 20 DBED N#Cc1cn(CCC(=O)NCCc2ccncc2)c(=O)nc1O 1433619665 NYFRGWXDCINHKN-UHFFFAOYSA-N 313.317 -0.035 30 20 DBED C[C@H](CNCc1nc(=O)n(C)[nH]1)N(C)C(=O)c1cc(C#N)c[nH]1 1438649629 XUSSWNKXQPUOBH-SECBINFHSA-N 317.353 -0.442 30 20 DBED CN(CCn1cccn1)C(=O)Cn1cc(C#N)c(O)nc1=O 1444086523 XKCMOCQSBAMKLM-UHFFFAOYSA-N 302.294 -0.824 30 20 DBED C[C@@H]1CC(NC(=O)Cn2cc(C#N)c(O)nc2=O)C[C@@H](C)O1 1447255422 BWNQEUDVGNWMGR-RKDXNWHRSA-N 306.322 -0.107 30 20 DBED CCc1c(C(=O)NC[C@@H](O)CNC(=O)[C@H](C)C#N)cnn1C 1452394342 NIPRLEANBGKZQY-ZJUUUORDSA-N 307.354 -0.651 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)C2=COCCO2)C1 1454065203 MGDRFPRPBAOEQV-YGRLFVJLSA-N 309.322 -0.886 30 20 DBED COCC1(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)CCC1 1489602756 NMTWDJAUWMUGIB-TUAOUCFPSA-N 309.366 -0.349 30 20 DBED C=C(Cl)CNC[C@H](C)NC(=O)Cn1ncn2nccc2c1=O 1498131056 UOFQWLUXKRVYSV-JTQLQIEISA-N 324.772 -0.262 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC[C@@H](NC(=O)CNC(=O)O)C1 1573311272 LADVOYWZLFREMG-WDEREUQCSA-N 311.338 -0.601 30 20 DBED C=CCOCC(=O)N1C[C@@H](NC(=O)CNC(=O)O)CC[C@H]1C 1573368928 LMAOZAAZCILHOS-MNOVXSKESA-N 313.354 -0.048 30 20 DBED C#CCN(C)c1nnc([C@@H]2COCCN2)n1C[C@H](C)N(C)C 1574615042 RLIIKTCFIZIEMQ-STQMWFEESA-N 306.414 -0.042 30 20 DBED CC1(C)CN(c2cnc(C#N)c(-c3nn[nH]n3)n2)C[C@@H](CO)O1 1575727370 VZYWXOUVEZIFDV-QMMMGPOBSA-N 316.325 -0.496 30 20 DBED C[C@H]1CN(CCNc2cnc(-c3nn[nH]n3)c(C#N)n2)CCO1 1576360967 PCCHQXXJTYGAJG-VIFPVBQESA-N 315.341 -0.339 30 20 DBED C#Cc1cccc(N(CC(=O)NC)C(=O)COCC(=O)O)c1 1588439292 ROFJGBQCRKESMU-UHFFFAOYSA-N 304.302 -0.152 30 20 DBED C=CCS(=O)(=O)CCNC(=O)c1cc(-c2nn[nH]n2)ccn1 1588688238 BGTVVEBKLCPMJZ-UHFFFAOYSA-N 322.350 -0.408 30 20 DBED CC(C)CN(CC(N)=O)c1cnc(-c2nn[nH]n2)c(C#N)n1 1589619069 FIANOPBMKXNDOV-UHFFFAOYSA-N 301.314 -0.524 30 20 DBED COCCN(C)S(=O)(=O)N1CCC(C#N)(C(=O)O)CC1 1599231439 BBQBKNPDKIPWMC-UHFFFAOYSA-N 305.356 -0.500 30 20 DBED C#CCN(CC(=O)O)c1nnc(-c2cnccn2)n1CCOC 1602699454 VCWWZYCGRJEWAD-UHFFFAOYSA-N 316.321 -0.094 30 20 DBED C[C@@H](CNC(=O)C#CC1CC1)Nc1nccnc1-c1nn[nH]n1 1603521619 YCYYRZYTICYYNT-VIFPVBQESA-N 312.337 -0.013 30 20 DBED N#Cc1nc(NC(=O)/C=C/c2ccncn2)[nH]c1-c1nn[nH]n1 1606354655 NUKJAMKHKOFFIO-OWOJBTEDSA-N 308.265 -0.097 30 20 DBED C#C[C@@H]1COCCN1S(=O)(=O)c1ccc(-c2nn[nH]n2)o1 1609020094 RFKDTISQRWUWCH-MRVPVSSYSA-N 309.307 -0.518 30 20 DBED C=CCOC[C@H](NC(=O)[C@@H]1CCc2nnc(C)n2C1)C(=O)O 1609432317 NTFGXJNGDOSRCV-MNOVXSKESA-N 308.338 -0.079 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N[C@@]1(C(=O)O)CCSC1 1609631058 NTIOBYYCSCBFLQ-WPRPVWTQSA-N 307.397 -0.127 30 20 DBED N#Cc1ncn(CCNC(=O)N2CCC([C@@H](O)C(=O)O)CC2)n1 1610636314 KIYJTOPDBCSXIO-LLVKDONJSA-N 322.325 -0.983 30 20 DBED CC#CCN[C@H]1C[C@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 1752652673 NZUACXTWVVQHGB-XYPYZODXSA-N 314.353 -0.432 30 20 DBED Cc1cc(=O)c(C(=O)NC[C@@H](C)NCC(=O)NCC#N)cn1C 1752881367 ZAXCADBLZVGLCZ-SNVBAGLBSA-N 319.365 -0.959 30 20 DBED C=CCNC(=O)NC(=O)CN(CC)CCNC(=O)c1cocn1 1753079722 XFAMOKPSODHCQL-UHFFFAOYSA-N 323.353 -0.262 30 20 DBED CN1CC[C@H](C(=O)NC[C@H]2CCN(CC(=O)NCC#N)C2)C1 1753139515 CQANYVRAGHOOQG-OLZOCXBDSA-N 307.398 -0.984 30 20 DBED CN(CCNCCCS(=O)(=O)N(C)C)C(=O)C#CC1CC1 1753187304 ARSDLAPUYLEQEK-UHFFFAOYSA-N 315.439 -0.271 30 20 DBED C#CCNC(=O)CNCCN(C)C(=O)c1cn(C)nc1CC 1753200827 YNCVMCBVAOHFDH-UHFFFAOYSA-N 305.382 -0.607 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC(NC(=O)c2c(C)ncnc2O)C1 1753384968 DZRNBGROVRKRQY-SNVBAGLBSA-N 319.365 -0.405 30 20 DBED C#CCNC(=O)CNC[C@](C)(NC(=O)[C@H]1COCCO1)C1CC1 1753513357 NLTABJHMQLGOQY-CJNGLKHVSA-N 323.393 -0.974 30 20 DBED C#CCNC(=O)CN1CCO[C@H](CNC(=O)[C@H](C)C(C)C)C1 1753653833 IVTSDYFXCISJJT-ZIAGYGMSSA-N 309.410 -0.155 30 20 DBED C#CCNC(=O)CNC[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C 1753733209 NMAOGFHSHIYKMD-GJZGRUSLSA-N 322.453 -0.050 30 20 DBED CC#CCNC[C@H](O)CNC(=O)c1c(C)c[nH]c1CC(N)=O 1753929228 XFFUVVUNWRBTNH-NSHDSACASA-N 306.366 -0.945 30 20 DBED C=CCNC(=O)[C@H](C)N1CCC[C@](C)(CNC(=O)CC(N)=O)C1 1754723607 LDBFFNCIFNLKFL-BLLLJJGKSA-N 324.425 -0.229 30 20 DBED C#CCCN1CC[C@](O)(CNC(=O)c2cnn3cc[nH]c23)C1 1754760797 SJQXJTUVWBXCET-HNNXBMFYSA-N 301.350 -0.148 30 20 DBED C[C@@H](NCC#N)[C@H]1CCN(C(=O)C(C)(C)NS(C)(=O)=O)C1 1754804731 SXGMIVXNPZVHFI-MNOVXSKESA-N 316.427 -0.336 30 20 DBED N#CCNC[C@H]1CN(C(=O)C2(NC(N)=O)CCCCC2)CCO1 1755010105 YXBYZGFTIGHQLW-LBPRGKRZSA-N 323.397 -0.302 30 20 DBED C#CCCCC(=O)NC1(CCO)CN(Cc2nnnn2C)C1 1755331348 JNEALUMQKSDOHX-UHFFFAOYSA-N 306.370 -0.933 30 20 DBED C#CCN1CC(CCO)(NC(=O)c2ccn(CC(F)F)n2)C1 1755332899 QFHJLYQMUSHYHZ-UHFFFAOYSA-N 312.320 -0.052 30 20 DBED CC(C)(C)C(=O)NCCC(=O)NC1(CCO)CN(CC#N)C1 1755335690 RMWFNJQDRWVXDI-UHFFFAOYSA-N 310.398 -0.385 30 20 DBED C=CCNC(=O)CN1CC([C@H](C)NC(=O)Cc2cnoc2)C1 1755384279 NWBBXMHZMUERIZ-NSHDSACASA-N 306.366 -0.044 30 20 DBED C#CCN1CC[C@@]2(NC(=O)C[C@H](NC(C)=O)C(N)=O)CCC[C@H]12 1755702141 TVCWOJOZFXWVGR-XEZPLFJOSA-N 320.393 -0.887 30 20 DBED C#CCNC[C@H]1CC[C@@H](NC(=O)CS(=O)(=O)N(C)C)C1 1755745956 FGDFTTFQWKGILL-NWDGAFQWSA-N 301.412 -0.615 30 20 DBED COCC#CCNC[C@@H](O)CN(C)C(=O)[C@@H](C)n1cccn1 1755772490 CDOBGOLMPCPTNC-ZIAGYGMSSA-N 308.382 -0.497 30 20 DBED COCC#CCN(C)C[C@@H](O)CN(C)C(=O)C[C@H]1CCCO1 1755797603 FQOLNJMIWIIDKK-HUUCEWRRSA-N 312.410 -0.044 30 20 DBED CCn1ncc(C(=O)N(C)CCOCCNC(=O)[C@@H](C)C#N)n1 1756382089 YRVDAMFGENVOBR-NSHDSACASA-N 322.369 -0.338 30 20 DBED C#CCCCC(=O)NC[C@H](CO)NC(=O)Cc1cnc(C)o1 1756515842 QKFRRBSFVUHKRQ-GFCCVEGCSA-N 307.350 -0.078 30 20 DBED NS(=O)(=O)CCNN=Cc1cccc(OCC(=O)O)c1 1776046807 IRPHYWVFUPDOMM-UHFFFAOYSA-N 301.324 -0.638 30 20 DBED O=C(O)C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cn[nH]c1)C2 1801988418 OQJGVQKBWDZOTM-ZSBIGDGJSA-N 316.317 -0.251 30 20 DBED C#CCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CNC(=N)N)C2 1804180606 JUKPYJTZPSKIDG-ZSBIGDGJSA-N 305.382 -0.479 30 20 DBED CC(=O)CCC(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1842655818 KMJKRGXUDLHVFC-UHFFFAOYSA-N 306.318 -0.353 30 20 DBED CCS(=O)(=O)CCN(CCC#N)CCN1CCOCC1 81515447 FYQCGJMTWXLDIQ-UHFFFAOYSA-N 303.428 -0.031 30 20 DBED CNC(=O)C1CN(C(=O)CNC(=O)c2ccc(C#N)cc2)C1 183855186 GTQLDGFXCYYMKX-UHFFFAOYSA-N 300.318 -0.508 30 20 DBED C/N=C(/NCCOC)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 261857600 YWYHPGXAWFMXBS-CQSZACIVSA-N 311.386 -0.482 30 20 DBED C[C@@H]1CN(S(=O)(=O)c2cccc(C#N)c2)C[C@@H](C(N)=O)O1 268380814 UUXPFCRWJFIYBD-SKDRFNHKSA-N 309.347 -0.178 30 20 DBED C[C@H]1OCCN(S(=O)(=O)c2ccc(C#N)cc2)[C@@H]1C(N)=O 284387456 BAXAQQHMVCHUBL-SKDRFNHKSA-N 309.347 -0.178 30 20 DBED NC(=O)C1=NO[C@@H](CNC(=O)NCC#Cc2ccccc2)C1 284837384 ZHFZKNSJVNKRAV-GFCCVEGCSA-N 300.318 -0.033 30 20 DBED CN(CCN1CCOCC1)S(=O)(=O)c1cncc(C#N)c1 289655775 DZRJTCYOMLTUSE-UHFFFAOYSA-N 310.379 -0.094 30 20 DBED C#CCN(C)CCCNC(=O)c1cn(CC2(C)COC2)nn1 293914944 GKNDJJCYNGUMOA-UHFFFAOYSA-N 305.382 -0.001 30 20 DBED C#CCN(C)CCCNC(=O)N1CCN(C(C)(C)C(N)=O)CC1 297460166 KQUAAIUMZIETPO-UHFFFAOYSA-N 323.441 -0.467 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2C[C@H](C)O[C@H](C)C2)C1=O 297870096 OEKHWDGNXPVLCF-FRRDWIJNSA-N 323.393 -0.133 30 20 DBED Cn1ccnc(N=C(O)N2CCN(c3cnccn3)CC2)c1=O 329295742 SOHLORLNEXYIGC-UHFFFAOYSA-N 315.337 -0.062 30 20 DBED O=C1C[C@@H](/N=C(/O)CN2CCS(=O)(=O)CC2)CN1C1CC1 330053795 QYMVBAZCDQKSOW-SNVBAGLBSA-N 315.395 -0.563 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)NCCN1C(=O)CCC1=O 330381917 IPQPPAZPOBZTEJ-JTQLQIEISA-N 316.383 -0.549 30 20 DBED C=CC[C@H](CO)CNC(=O)C1CCN(S(N)(=O)=O)CC1 330714187 XHZMRDXFDYRGSP-JTQLQIEISA-N 305.400 -0.797 30 20 DBED COCC(=O)N1CCN(C(=O)Cc2noc(C)c2C#N)CC1 330735248 MFJYYDUXTOQPBZ-UHFFFAOYSA-N 306.322 -0.286 30 20 DBED CCO[C@@H]1COCC[C@H]1NS(=O)(=O)N1CCO[C@@H](C#N)C1 336942209 KIKSOXSYHZTMPR-QJPTWQEYSA-N 319.383 -0.761 30 20 DBED COCCOC[C@H](C)NS(=O)(=O)N1CCO[C@@H](C#N)C1 337087324 FXMHZQZGAGWDFU-QWRGUYRKSA-N 307.372 -0.903 30 20 DBED CO[C@@H]1CN(C(=O)C(=O)Nc2ccc(C#N)cn2)C[C@H]1OC 340370578 SSKPCJUFDDENPT-GHMZBOCLSA-N 304.306 -0.236 30 20 DBED Cc1ccc(C#N)cc1NC(=O)C(=O)NCCC(=O)NC(N)=O 340741326 MDGMABMTQPTSNX-UHFFFAOYSA-N 317.305 -0.494 30 20 DBED C=CC[C@@H](CO)CNC(=O)NC1CCN(S(C)(=O)=O)CC1 341651529 AWILTYUYYZMVLU-LLVKDONJSA-N 319.427 -0.106 30 20 DBED CC(C)N=c1[nH]c(N2CCC(F)(C#N)CC2)nc(=NCCO)[nH]1 343240300 UAUWAQNIMVBVMT-UHFFFAOYSA-N 323.376 -0.228 30 20 DBED CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)[C@H](C)C#N)c1 347105659 LFPFNMYMQPACMI-SECBINFHSA-N 324.362 -0.191 30 20 DBED C=C[C@@H](CO)NC(=O)Nc1cccc(C(=O)NCCC(N)=O)c1 350221413 HAPYZHBCAMJDKI-NSHDSACASA-N 320.349 -0.040 30 20 DBED CN(CCC#N)S(=O)(=O)N1CCN([C@H]2CCNC2)CC1 352544816 CZGHTASKMMPIIX-LBPRGKRZSA-N 301.416 -0.944 30 20 DBED CC[C@@H](C)[C@@H](NS(C)(=O)=O)C(=O)N1CC(O)(CC#N)C1 356874212 LXGDMAGIEHHJDF-NXEZZACHSA-N 303.384 -0.563 30 20 DBED CCN1CCN(C(=O)NCC(=O)NCC#N)C[C@H]1c1ncc[nH]1 358287663 CXBXFQUQNPUFIE-NSHDSACASA-N 319.369 -0.562 30 20 DBED C[C@@H]1CN(CC(=O)NCc2cccc(C#N)c2)C[C@@H](C(N)=O)O1 370480413 KXDKQGMSLFCIGT-RISCZKNCSA-N 316.361 -0.251 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N1CCSC[C@H]1C(=O)O 417482292 XLKNEQHAADKJDB-IUCAKERBSA-N 307.397 -0.033 30 20 DBED CN(CCC#N)S(=O)(=O)NCC1(N2CCOCC2)CC1 434771398 BQBNWWFFACQDJC-UHFFFAOYSA-N 302.400 -0.469 30 20 DBED COC(=O)[C@@H]1CNC(=O)CN1CC(=O)N[C@](C)(C#N)C(C)C 447907419 RMOAKTNVHAQTPH-IINYFYTJSA-N 310.354 -0.986 30 20 DBED C#CCNC(=O)C1CCN(S(=O)(=O)C[C@@H](C)OC)CC1 491103539 PNHJUTTZBNFHJA-LLVKDONJSA-N 302.396 -0.188 30 20 DBED C#CCNC(=O)CN1CCN([C@H](C)C(=O)NCCC(C)C)CC1 491473282 CBHQXCGJNJPBCX-OAHLLOKOSA-N 322.453 -0.096 30 20 DBED C[C@H](C(=O)NC1(C#N)CCC1)N1CCN2C(=O)NC(=O)[C@@H]2C1 527297733 HXCUMDFWSKRBGF-ZJUUUORDSA-N 305.338 -0.827 30 20 DBED CCn1cc(C#N)c(=O)n(Cc2coc(S(C)(=O)=O)c2)c1=O 530102750 OIRHAGJJPPGBKE-UHFFFAOYSA-N 323.330 -0.054 30 20 DBED N#CCCn1ccc(NC(=O)NCCN2CCNC(=O)C2)n1 540972933 KTLYJRYMVZUVEI-UHFFFAOYSA-N 305.342 -0.650 30 20 DBED N#Cc1cccc(C2(C(=O)N[C@@H]3CS(=O)(=O)C[C@H]3O)CC2)c1 563819177 BXHDCLSVEPKODB-CHWSQXEVSA-N 320.370 -0.136 30 20 DBED CNC(=O)NC(=O)[C@@H](C)N1CCN(c2cnccc2C#N)CC1 565458150 JCWUFLAPTSLQPW-LLVKDONJSA-N 316.365 -0.081 30 20 DBED CN1C(=O)COc2ccc(NC(=O)NCC(=O)NCC#N)cc21 588257063 MLWYHRGIPDWFGW-UHFFFAOYSA-N 317.305 -0.197 30 20 DBED C=CCNC(=O)NC(=O)CN1CCC(n2cnnc2O)CC1 593983082 UVUTULZBBVRUSE-UHFFFAOYSA-N 308.342 -0.368 30 20 DBED C[C@@H]1CCN(C(=O)C(=O)Nc2ccn(CCC#N)n2)C[C@H]1CO 598664433 GOZAWZRJFKOSKT-NEPJUHHUSA-N 319.365 0.212 30 20 DBED C=C[C@@H](O)C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 669292233 KNOCFHPTFDSYNU-LLVKDONJSA-N 315.351 -0.805 30 20 DBED C#CCOCCNS(=O)(=O)c1scnc1C(=O)OC 765154721 MJXSHOIRPZMEMD-UHFFFAOYSA-N 304.349 -0.142 30 20 DBED N#CCNC(=O)COC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 766921599 FTGVHKLSPPGYMZ-LLVKDONJSA-N 316.317 -0.387 30 20 DBED C[C@H](Oc1ccc(C#N)cc1)C(=O)NS(=O)(=O)CC(N)=O 766925594 DBRXAVDRZLWJDF-QMMMGPOBSA-N 311.319 -0.743 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N(C)CCN1CCOCC1 783309068 NZAIOBJBFLVVGA-UHFFFAOYSA-N 319.427 -0.439 30 20 DBED COC[C@H](C#N)OC(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 786378344 WRFMBRRICSFPLY-YQPPGCHHSA-N 322.317 -0.379 30 20 DBED C#CCOCCNC(=O)C(=O)Nc1c(C(=O)OCC)cnn1C 786412441 LDFKTJBQKRXNGY-UHFFFAOYSA-N 322.321 -0.699 30 20 DBED C=CCN(C(=O)C(=O)NCCC(=O)N1CCN(C)CC1)C(C)C 787607271 BOGCWJUGHNMNGB-UHFFFAOYSA-N 324.425 -0.310 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)COCc1ccnn1C 792499307 XNWUCYZPIBSKHG-UHFFFAOYSA-N 310.310 -0.508 30 20 DBED CON=CC(=O)N1CCC(N2CCS(=O)(=O)CC2)CC1 809752912 KJTXVXHUTHXJKE-UHFFFAOYSA-N 303.384 -0.660 30 20 DBED CC(C)Cn1ncnc1Cn1c(N)nc(C#N)c1-c1nn[nH]n1 824284860 PKLUKSMBBFCCLG-UHFFFAOYSA-N 313.329 -0.187 30 20 DBED C=C[C@H](C)ONC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 846541183 DYEDFGTUPSEWLJ-QMMMGPOBSA-N 307.310 -0.944 30 20 DBED CC(C)(C)OC(=O)N[C@H](CO)C(=O)N1CCN(CC#N)CC1 859487986 YUIHPNCNRMGPLV-LLVKDONJSA-N 312.370 -0.460 30 20 DBED C#C[C@@H](NS(=O)(=O)CCS(=O)(=O)N(C)C)C(C)(C)C 882199337 NMJJIYKDNONMHL-SNVBAGLBSA-N 310.441 -0.155 30 20 DBED CON=CC(=O)N[C@@H]1CCCC[C@@H]1Cc1nn(C)c(=O)n1C 926081655 MUBBIMBIQYGZKE-GHMZBOCLSA-N 309.370 -0.032 30 20 DBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H](N(C)C(=O)C(N)=O)C1 938587399 QSUJMPYKZYSJIS-AGIUHOORSA-N 323.393 -0.098 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCN(C(=O)[C@@H]3CCOC3)C2)nn1 940505006 OPHQFEXNNXZAAC-VXGBXAGGSA-N 319.365 -0.169 30 20 DBED C[C@@H](O)CN1CC(N2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)C1 941365417 ARBXLZHRKOEDMR-GFCCVEGCSA-N 317.393 -0.291 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@@H](NC(=O)[C@@H]3CCNC3=O)C2)c1 942001825 MYLPVPVOIKDVIQ-GHMZBOCLSA-N 315.333 -0.647 30 20 DBED O=C(Cn1ncnn1)N[C@@H]1CCCCN(C(=O)C#CC2CC2)C1 943276372 QKCCFZGCYWNIQX-CYBMUJFWSA-N 316.365 -0.416 30 20 DBED C[C@@H](C(=O)N(C)C1CN(C(=O)C#CC2CC2)C1)n1cncn1 954100578 VQRFSHZMDVFKBC-NSHDSACASA-N 301.350 -0.078 30 20 DBED CC#CCN1C[C@H](O)[C@H](CNC(=O)c2cccc3ncnn23)C1 958228758 SXQRRQCQYLOUCT-OCCSQVGLSA-N 313.361 -0.225 30 20 DBED CN(C)c1cc(C(=O)NC[C@@H]2CN(CC#N)C[C@@H]2O)ccn1 958453021 JXEBDOFCKHXPEW-OLZOCXBDSA-N 303.366 -0.306 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H]2[C@@H]3CN([C@H]4CCCNC4=O)C[C@@H]32)c1 958501175 XELYJNWJAGJRRF-UZGDPCLZSA-N 313.361 -0.175 30 20 DBED C#CCN1CCC(C(=O)NC[C@H]2CN(CC#N)C[C@H]2O)CC1 958723958 KWOMQIGZBXXTHL-LSDHHAIUSA-N 304.394 -0.736 30 20 DBED Cc1nc(C)c(CC(=O)NC2[C@H]3CN(CC#N)C[C@H]23)c(O)n1 962542821 HLKQIEQKGODBMR-RYUDHWBXSA-N 301.350 -0.088 30 20 DBED C=CCn1cc(C(=O)N2CCOC[C@@H]2CNC(=O)C2CC2)nn1 964055690 UVVQIAKLIRUMQV-LBPRGKRZSA-N 319.365 -0.169 30 20 DBED CN(C(=O)C[C@H]1CC(=O)NC1=O)C1CCC(NCC#N)CC1 964493590 ALIQIPJHVSGZQZ-VOMCLLRMSA-N 306.366 -0.078 30 20 DBED CCN(C(=O)[C@@H]1CC[C@@H]1C(N)=O)C1CN(C(=O)C#CC2CC2)C1 968207114 UMEQPDXQNVWWRV-UONOGXRCSA-N 317.389 -0.029 30 20 DBED N#Cc1ccc(CN[C@@H]2CCN(C(=O)Cn3ncnn3)C2)s1 968683530 PJQIQGDGBMXAKF-SNVBAGLBSA-N 317.378 -0.003 30 20 DBED COc1nc(C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2O)co1 969138346 RBLWQZJSBBJOHA-PWSUYJOCSA-N 319.317 -0.602 30 20 DBED N#CCN1CCCCC[C@H]1CNC(=O)c1cn(CC(N)=O)nn1 969156119 JXTWPJWZOXLCDL-NSHDSACASA-N 319.369 -0.739 30 20 DBED C#CCN1CCC(C(=O)N2CC[C@@H](N[C@@H](CC)C(N)=O)C2)CC1 970792599 PJLBTAQOWCDTOY-CABCVRRESA-N 320.437 -0.214 30 20 DBED CC#CCN1C[C@H]2CC[C@H]1CN2C(=O)Cn1cnc(C(N)=O)n1 971398312 YFCFMRRHGHWCBV-NWDGAFQWSA-N 316.365 -0.925 30 20 DBED C=CCN1CCO[C@]2(CCN(C(=O)[C@@H]3COCCN3C)C2)C1 972348228 ITVANNXLKWEFHW-GOEBONIOSA-N 309.410 -0.194 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)COC)C[C@H]21 972835502 WTRJPIDBVVWYQS-QLFBSQMISA-N 319.405 -0.210 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H]2[C@H](NC(=O)Cn3cnnc3O)[C@H]2C1 976403309 NOGPZNSMTJIERU-IAZYJMLFSA-N 319.365 -0.231 30 20 DBED CNC(=O)[C@H](C)N1C[C@@H]2C(CNC(=O)c3c[nH]c(C#N)c3)[C@H]2C1 978063402 OJRGLBVGMLQIEG-CUOATXAZSA-N 315.377 -0.072 30 20 DBED C#CCN1C[C@@H]2C(CNC(=O)c3ccc(-n4cnnn4)cn3)[C@H]2C1 978522716 BRCYVMADQORURP-ZIAGYGMSSA-N 323.360 -0.402 30 20 DBED COC(=O)[C@@H]1C[C@@H]1C(=O)N1CC(NC(=O)c2ccc(C#N)[nH]2)C1 990891348 YTECPPCQIRYMCN-WDEREUQCSA-N 316.317 -0.364 30 20 DBED C=C(Cl)C(C)(C)C(=O)N1CC[C@@H](NC(=O)C(N)=O)[C@H](O)C1 991728422 MKWVAAWARTYFJI-RKDXNWHRSA-N 317.773 -0.672 30 20 DBED C=CCN1CC[C@]2(NC(=O)CN3C(=O)CNC3=O)CCC[C@H]12 992476561 PEVPUOFJYQKJBJ-XHDPSFHLSA-N 306.366 -0.163 30 20 DBED C=C1CC(C)(C(=O)N2CC(NC(=O)C3CC(=O)NC(=O)C3)C2)C1 995668883 USBQRBILWCJGLF-UHFFFAOYSA-N 319.361 -0.278 30 20 DBED C#CCNC1CCN(C(=O)[C@H]2CCc3nnnn3CC2)CC1 997031223 PDAACSFNDXMGCX-LBPRGKRZSA-N 302.382 -0.161 30 20 DBED C[C@H](C#N)C(=O)N1CC(CNC(=O)[C@@H]2CCC(=O)N(C)C2)C1 1002491729 RVDSLXICBSTODR-ZYHUDNBSSA-N 306.366 -0.411 30 20 DBED NC(=O)C(=O)N1CC[C@H]([C@@H]2CCCN(C(=O)C#CC3CC3)C2)C1 1003137244 FAJTVMOTJBAXKN-KGLIPLIRSA-N 317.389 -0.028 30 20 DBED C#Cc1ccc(C(=O)NCC2CN(C(=O)c3cnnn3C)C2)cn1 1003467724 KSCZWNQHDIYEHP-UHFFFAOYSA-N 324.344 -0.307 30 20 DBED C[C@H](C#N)C(=O)N1CC([C@@H](C)NC(=O)c2cn(C)c(=O)n2C)C1 1006278183 IKOLGMCYKDCNQN-NXEZZACHSA-N 319.365 -0.540 30 20 DBED COCC(=O)N1C[C@H]2C(CNC(=O)c3ccc(C#N)[nH]3)[C@@H]2C1 1008954821 WMNGDYCRAIJCAL-RYUDHWBXSA-N 302.334 -0.033 30 20 DBED C[C@H](C#N)C(=O)N1CCCC2(CN(C(=O)Cn3cncn3)C2)C1 1010875963 MFOCLDFAMSNGRT-GFCCVEGCSA-N 316.365 -0.111 30 20 DBED C[C@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCCN1C(=O)C(N)=O 1014884305 NAGJUOUPGFHYRU-KWQFWETISA-N 303.322 -0.519 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 1015788084 BDCLJFCOEIIBMQ-LLVKDONJSA-N 306.366 -0.536 30 20 DBED C[C@H](C#N)C(=O)N1CCCO[C@H](CNC(=O)c2ccn(C)n2)C1 1019591865 AJGWPHLSDKRNSO-VXGBXAGGSA-N 319.365 -0.073 30 20 DBED CN1CC[C@@H](N[C@H]2C[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)C1=O 1020058610 PKLVHLVFGSWBHT-IJLUTSLNSA-N 301.350 -0.033 30 20 DBED C=CCN1CC[C@H](N[C@H]2C[C@@H](NC(=O)[C@@H]3CCC(=O)N3)C2)C1=O 1022996259 KJTUOSZIZGGDOB-RNJOBUHISA-N 320.393 -0.711 30 20 DBED C[C@]1(C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2O)CCOC1 1025308715 BFGIUOOJEDLCBM-IOASZLSFSA-N 306.362 -0.486 30 20 DBED C#CCN[C@@H]1CC[C@@H]2CN(C(=O)c3nnc(O)nc3O)C[C@H]21 1026304026 IWGAVCNPIPOPPO-OPRDCNLKSA-N 303.322 -0.644 30 20 DBED CC#CCN1CC[C@@H](CNC(=O)C2CC3(C2)NC(=O)NC3=O)C1 1028865074 VGFCRDVCJLIWSN-FZWSLVFFSA-N 318.377 -0.564 30 20 DBED Cn1cc(C(=O)N2CC[C@@H]3[C@@H](CCN3CC#N)C2)ncc1=O 1036775889 BWJLDVYTRDAUFR-WCQYABFASA-N 301.350 -0.160 30 20 DBED C=C(C)CCN1CC[C@H]1CNC(=O)c1cn(C)c(=O)n(C)c1=O 1038766860 IMPCPYUWTSNYRM-LBPRGKRZSA-N 320.393 -0.146 30 20 DBED C=CCO[C@@H](C)C(=O)NC[C@]1(O)CCN(C(=O)c2cc[nH]n2)C1 1040161441 MJUHYDWFIFFWRE-XHDPSFHLSA-N 322.365 -0.306 30 20 DBED CN1CCC[C@@H]1C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1O 1040944195 IQCCRBLGBMIAIA-JHJVBQTASA-N 316.365 -0.892 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)CC(F)(F)F)C1 1041831453 QHYLUFGMAXRCNY-SECBINFHSA-N 322.283 -0.333 30 20 DBED C#CCCN1CC[C@@H]2CCN(C(=O)Cn3ncn(C)c3=O)C[C@@H]21 1042123236 QUDQUFDLTVDDDD-KGLIPLIRSA-N 317.393 -0.472 30 20 DBED CCc1ocnc1C(=O)NCC1(O)CN(C(=O)[C@H](C)C#N)C1 1042226632 DBJIXPKQWJOVSC-SECBINFHSA-N 306.322 -0.300 30 20 DBED CC1(C(=O)N2CC(O)(CNC(=O)c3cc(C#N)c[nH]3)C2)CC1 1042403684 NFKPZGDCVSOBGP-UHFFFAOYSA-N 302.334 -0.010 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)CCn2ccnc2)C1 1042943756 XJYJEHDQJNGJPE-UHFFFAOYSA-N 318.377 -0.378 30 20 DBED Cc1ccc(CC(=O)NCC2(O)CN(C(=O)[C@H](C)C#N)C2)cn1 1043133496 QWROKPQNJBLMMW-LLVKDONJSA-N 316.361 -0.218 30 20 DBED C=C(C)CCC(=O)NCC1(O)CN(C(=O)CCc2nc[nH]n2)C1 1043310548 GLKMLZOGIAKEDN-UHFFFAOYSA-N 321.381 -0.217 30 20 DBED C=C(C)CCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCN(C)C2)C1 1043320140 NORJZGIVECAGAS-CYBMUJFWSA-N 309.410 -0.016 30 20 DBED C#CCC1(C(=O)NCC2(O)CN(C(=O)CNC(C)=O)C2)CCC1 1043347366 WVRXMUQMZIHFDX-UHFFFAOYSA-N 321.377 -0.994 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(O)(CNC(=O)c2nonc2C)C1 1043717215 LDNBVRKBJNTURF-ZDUSSCGKSA-N 324.337 -0.992 30 20 DBED CCc1n[nH]cc1C(=O)NCC1(O)CN(C(=O)[C@H](C)C#N)C1 1043800799 RURXSSYDEBESER-SECBINFHSA-N 305.338 -0.565 30 20 DBED Cn1cccc1C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1043863707 DHRBTLMDZZQZLU-PWSUYJOCSA-N 312.333 -0.334 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)Cc2ncc[nH]2)C1 1045277710 XGPJCISLNCPQRJ-UHFFFAOYSA-N 304.350 -0.555 30 20 DBED C=CCCCC(=O)NCC1(O)CN(C(=O)Cc2nc[nH]n2)C1 1045455199 NOJRSYQGYKEQAJ-UHFFFAOYSA-N 307.354 -0.607 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCCCC(=O)N2)C1 1046385063 IHOKEZKWBQUZKA-LBPRGKRZSA-N 323.393 -0.299 30 20 DBED C=CCN1CC[C@](C)(NC(=O)c2cn(CC(=O)N(C)C)nn2)C1 1046853887 GMMALMQXXHMWQS-HNNXBMFYSA-N 320.397 -0.254 30 20 DBED CC[C@@H](NC(C)=O)C(=O)NCC1(O)CN(C(=O)C#CC(C)C)C1 1047080366 LKOKVAFRPNQLKF-CYBMUJFWSA-N 323.393 -0.750 30 20 DBED O=C(NCC1(O)CN(C(=O)C#CC2CC2)C1)c1ccnnc1 1047121880 NJPBZZQOLMEBJY-UHFFFAOYSA-N 300.318 -0.807 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)C(=O)N2CCC(C)CC2)C1 1047554916 OWTAXPOODKYOPK-GJZGRUSLSA-N 321.421 -0.228 30 20 DBED CN1CC[C@@H](C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)C#CC3CC3)C2)C1 1048825158 WIAHBKZHFFCYLW-ILXRZTDVSA-N 319.405 -0.618 30 20 DBED C[C@H](C#N)C(=O)N1CCOC2(CN(CC(=O)N3CCCC3)C2)C1 1053187373 KOUHINBKMJZYAZ-CYBMUJFWSA-N 320.393 -0.318 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)[C@@H]1CC(=O)N[C@@H](C)C1)CCO2 1053322000 RUQKUKRKZMMAMT-KBPBESRZSA-N 319.405 -0.162 30 20 DBED C#CCN1CC2(C1)CN(C(=O)c1cc(C(N)=O)cn1C)CCO2 1053327106 UEKYPAIQXAEEIW-UHFFFAOYSA-N 316.361 -0.716 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)C3CS(=O)(=O)C3)CO2)C1 1053813887 BRFZJQGQEGYMBF-LBPRGKRZSA-N 312.391 -0.986 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1COC2(C1)CN(CC(=O)NC)C2 1053927391 AKPOUOAKPOYODU-XQQFMLRXSA-N 323.393 -0.717 30 20 DBED C=C(C)CN1CC2(C[C@@H](NC(=O)[C@@H]3CC(=O)NC(=O)N3)CO2)C1 1053940575 HOPZZWRZNZRKAS-MNOVXSKESA-N 322.365 -0.880 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)c3cccc(C(N)=O)n3)CO2)C1 1054020412 LYIHATRNBFQEMJ-NSHDSACASA-N 314.345 -0.613 30 20 DBED C#CCOCCC(=O)N1C[C@H]2CN(C(=O)[C@@H](C)OC)C[C@H]2C1 1055205442 SRGYJTCDLHBKNS-MCIONIFRSA-N 308.378 -0.022 30 20 DBED N#Cc1ccc([N+](=O)[O-])c(N2CCN(C(=O)C(N)=O)CC2)c1 1055999398 NNLOPNZCIZENKV-UHFFFAOYSA-N 303.278 -0.400 30 20 DBED C[C@@H](C#N)C(=O)N[C@@]1(CO)CCCN(C(=O)c2ncccn2)C1 1056095741 DFGDPBROXBLKHV-NHYWBVRUSA-N 317.349 -0.280 30 20 DBED C[C@@H](C#N)C(=O)N[C@]1(CO)CCCN(C(=O)CCN(C)C)C1 1056096629 JQGVFMBENBKPGL-SWLSCSKDSA-N 310.398 -0.433 30 20 DBED N#Cc1nccnc1N1C[C@@H]2C(NC(=O)c3cc[n+]([O-])cc3)[C@H]2C1 1056099690 HYBJAPXJVKZMMP-RYUDHWBXSA-N 322.328 -0.154 30 20 DBED Cn1nccc1C(=O)N[C@H]1[C@@H]2CN(c3nccnc3C#N)C[C@@H]21 1056138101 GUDUPIBXWKETLS-IWIIMEHWSA-N 309.333 -0.054 30 20 DBED Cn1ncc(C(=O)N[C@H]2[C@@H]3CN(c4cncc(C#N)n4)C[C@@H]32)n1 1056256696 MOFHULGECVELQG-IWIIMEHWSA-N 310.321 -0.659 30 20 DBED CC(C)C#CC(=O)N1CCC[C@H]2CN(C(=O)CC(N)=O)C[C@H]21 1056661492 CXQDKCICMRZYLC-QWHCGFSZSA-N 305.378 -0.029 30 20 DBED N#Cc1nc(=N[C@@H]2CCN(C(=O)C[C@@H]3CCC(=O)N3)C2)cc[nH]1 1056663535 JNUXLZJNJLGANK-WDEREUQCSA-N 314.349 -0.548 30 20 DBED C#CCOCCC(=O)NCCN(CCO)C(=O)c1ccn(C)c1 1057344180 NGGWTAPMGBALAH-UHFFFAOYSA-N 321.377 -0.384 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)c1ncccc1O 1057410254 JZQCFSDOPWAIEI-UHFFFAOYSA-N 319.361 -0.003 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)c1ncn(C)n1 1057439238 DAZNHVSVPXAKNT-UHFFFAOYSA-N 307.354 -0.831 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)c1oncc1C 1058697363 NXMTWVRAHMKBLX-UHFFFAOYSA-N 311.338 -0.264 30 20 DBED N#Cc1ccc(N[C@H]2CCN(C(=O)c3c[nH]c(=O)cn3)C2)nn1 1059049644 ZNFTVDXMILPNKU-JTQLQIEISA-N 311.305 -0.242 30 20 DBED N#Cc1nc(=N[C@H]2C[C@H](NC(=O)C3=COCCO3)C2)cc[nH]1 1059136272 YCYMLANTFMKVSM-MGCOHNPYSA-N 301.306 -0.283 30 20 DBED C[C@]1(C(=O)N[C@H]2C[C@H](Nc3cnc(C#N)cn3)C2)CCNC1=O 1059409862 CNCOJPQBZNACFW-YHAQOWFVSA-N 314.349 -0.066 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCOC[C@@H]1CNC(=O)COC 1061202867 VUSWKWYZERUVRF-XQQFMLRXSA-N 312.366 -0.433 30 20 DBED C#CCOCCC(=O)N1CCOC[C@H]1CNC(=O)[C@@H](C)OC 1061371147 ZPHKFOHDTCHBTP-CHWSQXEVSA-N 312.366 -0.595 30 20 DBED Cn1ncc(C(=O)NC[C@@H]2CCCN2c2cncc(C#N)n2)n1 1061377234 YYGQQEIEVPAHCU-NSHDSACASA-N 312.337 -0.124 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H]1COCCN1C(=O)C(C)C 1061516447 WSDWXXXXBVIHNV-LBPRGKRZSA-N 309.366 -0.875 30 20 DBED C#CCOCCC(=O)NC[C@H]1COCCN1C(=O)[C@H](C)OC 1061580936 IHBLNPMQSYOZMF-STQMWFEESA-N 312.366 -0.595 30 20 DBED C=CCCC(=O)N1CCOC[C@H]1CNC(=O)C[C@H]1CCNC1=O 1061640428 ZLJBTBVMZXGXKL-CHWSQXEVSA-N 323.393 -0.178 30 20 DBED C=CCC1(C(=O)NC[C@H]2COCCN2C(=O)C(N)=O)CCCC1 1061699014 GHYJIOFRLIOZDU-LBPRGKRZSA-N 323.393 -0.048 30 20 DBED C=CCCCC(=O)NC[C@@H]1COCCN1C(=O)Cn1nccn1 1061831249 RGKLTVYNEZOPIN-CYBMUJFWSA-N 321.381 -0.022 30 20 DBED CC(C)N(C)CC(=O)N1CCOC[C@H]1CNC(=O)[C@H](C)C#N 1061852504 JBVNGPUUCDUYGM-CHWSQXEVSA-N 310.398 -0.170 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@H]1CN(C(=O)CCOC)CCO1 1064706859 YXRMWAQNAVCMAO-DOMZBBRYSA-N 314.382 -0.306 30 20 DBED C=CCOCC(=O)N1CCO[C@@H](CNC(=O)COC(C)C)C1 1064977910 YKRODXADZFBDCF-ZDUSSCGKSA-N 314.382 -0.042 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)CCO1 1065401364 LIIIQKPYXJNYKP-OLZOCXBDSA-N 321.377 -0.588 30 20 DBED C=C[C@@H](CC)CC(=O)N1CCO[C@H](CNC(=O)CC(N)=O)C1 1065490905 PMTZCDZMDXGSDW-NWDGAFQWSA-N 311.382 -0.192 30 20 DBED CCn1cc(C(=O)N2CCO[C@@H](CNC(=O)[C@@H](C)C#N)C2)nn1 1065559674 ALOLYIPDGLWDNW-QWRGUYRKSA-N 320.353 -0.585 30 20 DBED NC(=O)NCC(=O)N1CCC[C@@H](NC(=O)C#CC2CC2)CC1 1066150370 DMIMLXRENZLFQW-GFCCVEGCSA-N 306.366 -0.435 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCOC2(C1)CN(C(=O)[C@H](C)C#N)C2 1068395866 DOFOOAZAMFMRPH-OLZOCXBDSA-N 319.361 -0.376 30 20 DBED C=CCCC(=O)NC[C@@H]1CCC2(CN(C(=O)CNC(C)=O)C2)O1 1068533527 UPRSOGCJYILFEA-ZDUSSCGKSA-N 323.393 -0.035 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1COC2(C1)CN(C(=O)Cc1ncc[nH]1)C2 1069003348 LVLLIFJYARGFJV-WDEREUQCSA-N 317.349 -0.402 30 20 DBED CCC1(NC(=O)[C@@H]2CNC(=O)N2)CCN(C(=O)[C@@H](C)C#N)CC1 1069580625 GZQYIZMPUBNZDR-QWRGUYRKSA-N 321.381 -0.285 30 20 DBED C=CCOCC(=O)N1CCC[C@@]2(CCN(C(=O)CC(N)=O)C2)C1 1069730122 AQUDYKKNQIERLK-MRXNPFEDSA-N 323.393 -0.095 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)c2cnn[nH]2)CCOCC1 1070234019 KTAILPVASLOAOW-SECBINFHSA-N 306.326 -0.640 30 20 DBED C=CCN[C@@H]1CN(C(=O)[C@@]2(C)CNC(=O)C2)C[C@@H]1n1ccnn1 1070242889 WHLGHMFFDRJVSD-TYNCELHUSA-N 318.381 -0.668 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@@H](NC(=O)COCCC)C1 1070636455 YELURDIXZGIOGJ-CYBMUJFWSA-N 323.393 -0.340 30 20 DBED C=CCN1C[C@H]2C[C@@H]3CN(C(=O)[C@@H]4CCC(=O)N4)C[C@@]3(C1)O2 1070882590 XBTNUUWOUDICIY-NFFDBFGFSA-N 305.378 -0.247 30 20 DBED CC#CCN1CCNC(=O)CCN(C(=O)Cc2ccon2)CC1 1070948302 GSFVRUXNILOYLD-UHFFFAOYSA-N 318.377 -0.109 30 20 DBED N#CCN1CCN([C@@H]2CCCN(C(=O)c3cnn[nH]3)C2)C(=O)C1 1071267040 CQMFFHPKSVDUPF-LLVKDONJSA-N 317.353 -0.923 30 20 DBED C=CCOCC(=O)N1C[C@@H](C)[C@@H](NC(=O)COCCOC)C1 1071807984 DFTMUDXGACVULH-OLZOCXBDSA-N 314.382 -0.185 30 20 DBED C=CCOCCCC(=O)N1C[C@@H](NC(=O)CC(N)=O)[C@H](C)C1 1071871654 NGMWNZBDFTUFJD-VXGBXAGGSA-N 311.382 -0.192 30 20 DBED C#CCCN1CCCO[C@H](CNC(=O)c2cnc(O)n2C)C1 1073729678 SYEQOHVEAMTUIA-GFCCVEGCSA-N 306.366 -0.030 30 20 DBED N#CCN1CCO[C@@H]2CCN(C(=O)c3ccc(O)nn3)C[C@H]21 1074160272 QRNGYOGFXXKIGG-VXGBXAGGSA-N 303.322 -0.379 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)c3cccn(C)c3=O)C[C@H]21 1074382395 JWMGMATWACMNJO-CABCVRRESA-N 315.373 -0.066 30 20 DBED CCOCC(=O)NCC1(O)CCN(C(=O)C#CC2CC2)CC1 1074581276 QDQFBGPHLJZQCA-UHFFFAOYSA-N 308.378 -0.094 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)c2ccnn2CCOC)C1 1077197751 CTPYJHUDSSSGRJ-TZMCWYRMSA-N 306.366 -0.672 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCn3nccc32)C1 1077255553 GXXYKMHKKMPSGP-GZBFAFLISA-N 302.378 -0.055 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2COCCN2CC)C1 1077267890 HWETYCKPNVMSOL-JHJVBQTASA-N 317.817 -0.379 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2COCCN2CC)C1 1077269292 VQXCIOBRBFNXOL-RBSFLKMASA-N 311.426 -0.165 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)c2cnc(C3CC3)nc2O)C1 1077792724 YIRIEADABHVNBQ-CHWSQXEVSA-N 316.361 -0.142 30 20 DBED C=CCOCCCC(=O)N1C[C@H](O)[C@H](CNC(=O)COC)C1 1081177201 BFLNFSXAYUEICW-OLZOCXBDSA-N 314.382 -0.449 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cnn(C)c2)C1 1081248364 OVMPKDIDLNTTNY-OCCSQVGLSA-N 318.377 -0.371 30 20 DBED CCN(CC)CC(=O)NC[C@@H]1CN(C(=O)C#CC(C)C)C[C@@H]1O 1081506444 SOPBBAYGSYGKCG-CABCVRRESA-N 323.437 -0.077 30 20 DBED C=C1CC(C)(C(=O)NC[C@H]2CN(C(=O)c3cnon3)C[C@@H]2O)C1 1081751990 CAMCFNRCUPYDMG-JQWIXIFHSA-N 320.349 -0.025 30 20 DBED C#CCN1C[C@@H](NC(=O)c2ccoc2CC(N)=O)[C@H](OC)C1 1082070583 KHFCRSWVDPUAHO-DGCLKSJQSA-N 305.334 -0.630 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)c2nnn(C(C)(C)C)n2)C1 1083477822 HGKPYFUQYXCBFL-MNOVXSKESA-N 308.386 -0.221 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)c2cccc(C(=O)NC)n2)C1 1084008539 KXYAHWYGBQQHIT-KGLIPLIRSA-N 318.377 -0.208 30 20 DBED C=CCn1cc(C(=O)N(C)C[C@@H]2CCN2[C@@H]2CCNC2=O)nn1 1085862342 WOIWVCDHCAINIQ-WCQYABFASA-N 318.381 -0.501 30 20 DBED N#CCN[C@H]1C[C@@H](CNC(=O)c2cnn3c(=O)cc[nH]c23)C1 1086219275 SHROUTVPGDONAW-AOOOYVTPSA-N 300.322 -0.356 30 20 DBED C=CCCN1CC[C@H](NC(=O)CN2CCNC(=O)C2)[C@H]1CC 1087685289 IQPRNNNCVZDDCH-UONOGXRCSA-N 308.426 -0.037 30 20 DBED Cn1nc(C2CC2)cc1C(=O)N[C@@H]1CCN(CC#N)C[C@@H]1O 1090294018 WNNMFISVGZRFSL-RISCZKNCSA-N 303.366 -0.014 30 20 DBED C#CCN1CC[C@@H](NC(=O)Cn2cc(C3CC3)cn2)[C@@H](O)C1 1090376403 WPYCNBQFRGAWRG-CABCVRRESA-N 302.378 -0.055 30 20 DBED CCc1nc(C#N)cc(N2C[C@@H](O)[C@H](NC(=O)[C@@H](C)OC)C2)n1 1090377546 GHUQWTKIPWCPPG-YUSALJHKSA-N 319.365 -0.389 30 20 DBED Cc1ccn(CC(=O)N[C@@H]2CCN(CC#N)C[C@H]2O)c(=O)c1 1090604107 ANCZPXZCJLQEPM-CHWSQXEVSA-N 304.350 -0.768 30 20 DBED CCOCCC(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1091088927 PFLXHDQUKDCFNU-NEPJUHHUSA-N 305.338 -0.559 30 20 DBED Cn1cc(C(=O)N2CCC(OC3CN(CC#N)C3)CC2)nc1O 1093569189 WJDVMVODBDZRGJ-UHFFFAOYSA-N 319.365 -0.045 30 20 DBED COC[C@@]1(C(=O)NCCN=c2cc[nH]cc2C#N)CCOC1 1094009595 FMUZKDVEIZTMKX-HNNXBMFYSA-N 304.350 -0.044 30 20 DBED CO[C@@H](C(=O)NCCN=c1cc[nH]c(C#N)n1)[C@@H]1CCOC1 1094011158 ATUUZIRDCTUSFP-ZWNOBZJWSA-N 305.338 -0.650 30 20 DBED N#Cc1ccc(NCCNC(=O)C[C@@H]2CCCS2(=O)=O)nn1 1094012046 XFLBEUNDCJQUEY-NSHDSACASA-N 323.378 -0.156 30 20 DBED CCN1CCOC[C@H]1C(=O)NCCCN=c1cc[nH]c(C#N)n1 1094654746 VCAXPMIBAQFWAX-LBPRGKRZSA-N 318.381 -0.591 30 20 DBED CCc1cc(C(=O)N[C@@H]2CC(=O)N(C3CN(CC#N)C3)C2)n[nH]1 1094705504 LXIQHGPHZCRJHO-LLVKDONJSA-N 316.365 -0.489 30 20 DBED CC#CCN1CC(N2C[C@H](NC(=O)[C@H]3CCCCO3)CC2=O)C1 1094722675 VRRCXDMLMJRFGB-UKRRQHHQSA-N 319.405 -0.020 30 20 DBED N#CCN1CC(N2C[C@H](NC(=O)Cc3cnoc3)CC2=O)C1 1094777878 DSQUBXNLIACCAQ-LLVKDONJSA-N 303.322 -0.858 30 20 DBED CCN(CCCNC(=O)[C@H]1CNC(=O)N1)c1ccc(C#N)nc1 1095960152 UMDUOFUCUXUOIK-CYBMUJFWSA-N 316.365 -0.033 30 20 DBED Cc1nn[nH]c1C(=O)NC[C@@H](N=c1cc[nH]c(C#N)n1)C1CC1 1096790359 KZJWPRKPRYOMHE-SNVBAGLBSA-N 312.337 -0.183 30 20 DBED C[C@@H](NC(=O)C(N)=O)[C@@H]1CCCN(c2cnc(C#N)cn2)C1 1097548379 UQFHXQDRUQXLEA-NXEZZACHSA-N 302.338 -0.445 30 20 DBED C=CCNCc1cn([C@H]2CCN(C(=O)[C@H]3CCC(=O)N3)C2)nn1 1098638619 ZVHCFLIFGCISQB-QWHCGFSZSA-N 318.381 -0.394 30 20 DBED C=CCNCc1cn([C@@H]2CCN(C(=O)[C@H]3COC(=O)N3)C2)nn1 1098667352 XYHBLZMTJAMCCB-VXGBXAGGSA-N 320.353 -0.565 30 20 DBED CC#CCN1C[C@@H](NC(=O)CC(N)=O)CC2(CCOCC2)C1 1099571809 NKQZOPNXOXFUMC-ZDUSSCGKSA-N 307.394 -0.128 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)c2cnn(C)c2)[C@@H](O)C1 1099651726 WMAUOVCNUGDMQO-KGLIPLIRSA-N 308.382 -0.212 30 20 DBED C[C@@H](CCNC(=O)[C@@H]1CNC(=O)N1)Nc1nccnc1C#N 1099682611 MDWKXKHBMQMTEK-WPRPVWTQSA-N 303.326 -0.664 30 20 DBED C[C@H](CCNC(=O)[C@H]1C[C@H]1C(N)=O)Nc1cnc(C#N)cn1 1099692116 UYDFPBJNBRUWMX-IEBDPFPHSA-N 302.338 -0.224 30 20 DBED C=CCCC(=O)N[C@H]1CCN(CCN2C(=O)CCC2=O)C[C@@H]1O 1099725572 WXNWQOWCCGMISR-STQMWFEESA-N 323.393 -0.347 30 20 DBED C#CCCN1CC[C@H](NC(=O)CCc2ccn(C)n2)[C@@H](O)C1 1099858019 GDVSFNCOXBZOBB-GJZGRUSLSA-N 304.394 -0.073 30 20 DBED C#CCN1CC[C@@H](NC(=O)COCc2nnc(C)s2)[C@@H](O)C1 1099905827 FICUVKKQUCNWBI-NEPJUHHUSA-N 324.406 -0.452 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)C2(C(C)C)CC2)[C@H](O)C1 1099995590 BJSFVTICBNTKLL-UONOGXRCSA-N 321.421 -0.277 30 20 DBED C=CCCN1CC[C@H](NC(=O)COCc2ncnn2C)[C@@H](O)C1 1100057215 CXTWMLRHLDEOAY-STQMWFEESA-N 323.397 -0.541 30 20 DBED CCN(CCNC(=O)[C@@]1(C)CNC(=O)C1)c1nccnc1C#N 1100671351 WVABFNWVGOTIAX-OAHLLOKOSA-N 316.365 -0.183 30 20 DBED CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CCCN1c1ccnc(C#N)n1 1100776416 HMCUUAHXCRXNSZ-JQWIXIFHSA-N 316.365 -0.042 30 20 DBED CCCN(C)CCC(=O)NCC1CC(NCC(=O)NCC#N)C1 1100896894 QPJUDQMFSUAZLE-UHFFFAOYSA-N 323.441 -0.158 30 20 DBED N#Cc1cnc(N2CC[C@@H](CNC(=O)CCNC(N)=O)C2)cn1 1100980116 JYVVTPRYBQXSQA-JTQLQIEISA-N 317.353 -0.651 30 20 DBED C[C@H](NC(N)=O)C(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(C#N)n1 1102547986 YKWOGEFHKITYLU-LSJOCFKGSA-N 315.337 -0.805 30 20 DBED C[C@@H]1CN(C(=O)C2CC(=O)NC(=O)C2)C[C@H]1CCNCC#N 1104788481 MELVQFZSMUPHLL-GHMZBOCLSA-N 306.366 -0.363 30 20 DBED CC(C)[C@H](CNC(=O)[C@@H]1COCCO1)N=c1cc[nH]c(C#N)n1 1105141039 MNAIDJBJFASJSJ-RYUDHWBXSA-N 319.365 -0.262 30 20 DBED CC#CCNCc1cn(C2CN(C(=O)[C@@H](C)NC(C)=O)C2)nn1 1105146544 GCDADKZFJAONBH-LLVKDONJSA-N 318.381 -0.701 30 20 DBED C=CCNCc1cn(C2CN(C(=O)c3cncnc3O)C2)nn1 1105266473 YALGDIOKMKOWGD-UHFFFAOYSA-N 315.337 -0.254 30 20 DBED Cc1cnc(C(=O)NC[C@H](O)CNc2cncc(C#N)n2)cn1 1105709063 IAKVXMKQKMMHKG-LLVKDONJSA-N 313.321 -0.351 30 20 DBED CCNC(=O)CCC(=O)NC[C@@H](O)CN=c1cc[nH]cc1C#N 1105747112 WKUXTFHTTHSDMX-LBPRGKRZSA-N 319.365 -0.820 30 20 DBED COC[C@@H](C)C(=O)NC[C@@H](O)CNc1nc(C)cc(C#N)n1 1105747179 XROOHQFCSZBSHY-BXKDBHETSA-N 307.354 -0.172 30 20 DBED Cc1cc(=NC[C@H](O)CNC(=O)CSCC#N)c(C#N)c[nH]1 1105755632 UUTOTGTXFJHNQW-LBPRGKRZSA-N 319.390 -0.171 30 20 DBED Cn1cccc1C(=O)NC[C@@H](O)CNc1cncc(C#N)n1 1105757749 IBVGHNUBKLXQCJ-NSHDSACASA-N 300.322 -0.110 30 20 DBED Cc1nn(C)cc1C(=O)NC[C@H](O)CNc1nccnc1C#N 1105763539 KLNMFDXHWSUKFB-SNVBAGLBSA-N 315.337 -0.407 30 20 DBED N#Cc1nc(=NC[C@@H](O)CNC(=O)C2(C3CC3)CC2)cc[nH]1 1105997194 LDMQPKAZTSTFLX-LLVKDONJSA-N 301.350 -0.151 30 20 DBED CC#CCN1CC(n2cc(CNC(=O)[C@H](C)NC(C)=O)nn2)C1 1107119936 PHUANBMILONVFL-NSHDSACASA-N 318.381 -0.701 30 20 DBED Cc1cnn(CC(=O)NCc2cn(C3CN(CC#N)C3)nn2)c1 1107139626 REFUVYOXSTXFGC-UHFFFAOYSA-N 314.353 -0.520 30 20 DBED C[C@H](CNc1cncc(C#N)n1)NC(=O)COCCN(C)C 1107848623 KHXNRTSYTLNUBJ-LLVKDONJSA-N 306.370 -0.157 30 20 DBED CCc1nc(C#N)cc(NC[C@@H](C)NC(=O)[C@H]2CNC(=O)N2)n1 1108076560 UONMHNJQPKJIEE-PSASIEDQSA-N 317.353 -0.491 30 20 DBED CC#CCN1CCO[C@@](C)(CNC(=O)[C@@H]2CCC(=O)N2C)C1 1108136925 VUSWMDKHQKVCBY-BBRMVZONSA-N 307.394 -0.162 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)[C@H](CC)NC(C)=O)CC2=O)C1 1108577759 OVYKFNZDCWBBQN-JSGCOSHPSA-N 322.409 -0.512 30 20 DBED COC(=O)NCC(=O)N[C@H](C)CN(C)c1nc(C)cc(C#N)n1 1108833088 YUWNAQBVSSWQFJ-SNVBAGLBSA-N 320.353 -0.046 30 20 DBED CO[C@@H](C)C(=O)N[C@@]1(CO)CCCN(c2ccnc(C#N)n2)C1 1111336320 MXGVLQHNMKDILD-NHYWBVRUSA-N 319.365 -0.169 30 20 DBED CC[C@@H](C(=O)N(CCO)CCNc1nccnc1C#N)N(C)C 1111492934 XBDPDAUKLAVDFS-ZDUSSCGKSA-N 320.397 -0.079 30 20 DBED CC(=O)NCC(=O)N1C[C@H](C)[C@@H](Nc2ccc(C#N)nn2)C1 1112295875 ROGYYQSCKORYGY-CABZTGNLSA-N 302.338 -0.257 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N1CCN(C(=O)C(F)F)CC1 1112594999 OBTLUFVWNPQOLD-SECBINFHSA-N 318.324 -0.204 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)c2nccc(C)n2)CC1 1112814095 GSNLHHVWKIMCRI-CYBMUJFWSA-N 315.377 -0.319 30 20 DBED C=CCOCCN1CCN(C(=O)CN(C)S(C)(=O)=O)CC1 1112915345 MVYQNKGUEWFOSC-UHFFFAOYSA-N 319.427 -0.775 30 20 DBED C=CCOCCN1CCN(C(=O)c2cnc(O)n(C)c2=O)CC1 1113181881 MDIUVGXMYKGTIA-UHFFFAOYSA-N 322.365 -0.554 30 20 DBED C[C@H](NC(=O)C1CS(=O)(=O)C1)[C@@H](C)N=c1cc[nH]c(C#N)n1 1113183446 PGKDTVVYAZZOEY-BDAKNGLRSA-N 323.378 -0.880 30 20 DBED C[C@@H](CNC(=O)C1(C(N)=O)CC1)N(C)c1nccnc1C#N 1113845798 QDFMWTNSZBTQOL-VIFPVBQESA-N 302.338 -0.445 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H]1[C@@H]2CN(CC(=O)N(C)C3CC3)C[C@@H]21 1114263043 NSPZZWZJTVMRTG-UYHMYPTGSA-N 319.405 -0.308 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)c3ccnnc3C)[C@@H]2C1 1114523541 DBKVHDPLRUBNFU-CHWSQXEVSA-N 315.377 -0.253 30 20 DBED Cc1nc(N2C[C@@H]3C(CNC(=O)CC(N)=O)[C@H]3C2)ccc1C#N 1114546946 MXLMHGBJXRGOHZ-CHWSQXEVSA-N 313.361 -0.065 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3coc(OC)n3)[C@H]2C1 1114623553 AAIZKVULPTUAFG-UWVGGRQHSA-N 318.333 -0.907 30 20 DBED C[C@H]1C[C@H](CNc2cnc(C#N)cn2)CN1C(=O)CNC(N)=O 1114667785 VJVOYLOTZMOYMO-VHSXEESVSA-N 317.353 -0.335 30 20 DBED C=CCN1C[C@H]2C(NC(=O)CCCN3C(=O)CNC3=O)[C@@H]2C1 1115219015 OMLFVBNUZSRTBD-GHMZBOCLSA-N 306.366 -0.449 30 20 DBED Cc1cc(N2CC[C@@H](NC(=O)[C@H](N)CCCC#N)C2=O)n(C)n1 1118125538 SQIJFUKZKOWDGB-VXGBXAGGSA-N 318.381 -0.029 30 20 DBED Cn1nnc2c1CC[C@@H](NC(=O)NC1CCN(CC#N)CC1)C2 1118309295 PEHJQPKPCZMPSJ-GFCCVEGCSA-N 317.397 -0.040 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)N2CCO[C@@H]3CCC[C@@H]32)C1 1118899655 ZRPMZHPSUHNJND-ZOWXZIJZSA-N 307.350 -0.357 30 20 DBED C[C@H]1CN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CCO1 1118948120 MQAQUWDEJHVKQE-AAEUAGOBSA-N 306.366 -0.568 30 20 DBED N#Cc1cncc(N[C@@H](CO)CNC(=O)C2CCC(O)CC2)n1 1121496497 GWHODCAUZRUMKQ-YXMLORGKSA-N 319.365 -0.212 30 20 DBED CC(C)[C@H](C(=O)NC[C@H](CO)N=c1cc[nH]cc1C#N)N(C)C 1121841163 YJLLCSIFWWBREN-UKRRQHHQSA-N 319.409 -0.150 30 20 DBED C[C@H](CC(=O)NC[C@H](CO)Nc1ccc(C#N)nc1)NC(N)=O 1122071707 SRLFZYZQXMKRIH-BXKDBHETSA-N 320.353 -0.711 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)C[C@@H](C)OC 1124594704 MAMOLHSTDXLPLP-SNVBAGLBSA-N 300.359 -0.871 30 20 DBED C=C[C@](C)(O)CC(=O)NCc1cnn2c1CN(CC(N)=O)CC2 1128327170 JEBVIRWNXRFKDH-HNNXBMFYSA-N 321.381 -0.873 30 20 DBED C=CCOCCN1CCn2ncc(CNC(=O)C(N)=O)c2C1 1128470887 JJTGTNXXOCDHBS-UHFFFAOYSA-N 307.354 -0.997 30 20 DBED COCC#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H](C)OC)C1 1128780810 YAVMKDXKEVYGRW-MJBXVCDLSA-N 321.381 -0.696 30 20 DBED C#CCN[C@@H]1CN(C(=O)CNC(C)=O)C[C@H]1c1cn(C)cn1 1130478967 OPGSOMFVXHJXAB-GXTWGEPZSA-N 303.366 -0.927 30 20 DBED C=CCCN1C[C@@H](F)C[C@@H]1c1n[nH]c(CNC(=O)C(N)=O)n1 1131159396 XKWHKGDCIFHBDL-DTWKUNHWSA-N 310.333 -0.433 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)c2ccc(C(N)=O)[nH]2)C1=O 1133955923 FWAOGZCPRHSYGC-GFCCVEGCSA-N 319.365 -0.780 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)c1c[nH]c(=O)cn1 1135320030 IDUWQHOUBGXZAP-MNOVXSKESA-N 319.365 -0.994 30 20 DBED C=C(C)CN[C@@H](C)C[C@@H](C)NC(=O)CNS(=O)(=O)N(C)C 1135569049 ZYZKBUUDLGEXEY-NWDGAFQWSA-N 320.459 -0.169 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)c2cc(C(N)=O)c[nH]2)C1=O 1135809998 VWPDMPDJGRIIGJ-NSHDSACASA-N 319.365 -0.780 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)[C@@H]1CCCO1)C2 1146933723 LXADQTHCFXMAAI-ZDUSSCGKSA-N 305.378 -0.551 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)CCCC(=O)NCCC 1148249829 NQHBREHYACBQBY-CYBMUJFWSA-N 324.425 -0.473 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@@H]1CCc2cncn2C1 1161309947 QKGUWIDBVMJTPV-CYBMUJFWSA-N 319.409 -0.156 30 20 DBED C=CCNC(=O)CNCCCNC(=O)c1cccc(=O)n1C 1166333446 SXQJNXPPGIMHGF-UHFFFAOYSA-N 306.366 -0.603 30 20 DBED Cc1nccn1CCCC(=O)NCCCNCC(=O)NCC#N 1168368497 AQIZMZLLSPAJKG-UHFFFAOYSA-N 320.397 -0.293 30 20 DBED CC#CCNCCCC[C@@H](C)NC(=O)C[C@@H]1NC(=O)NC1=O 1171307697 LBIFEKSWEZQGMF-NEPJUHHUSA-N 308.382 -0.128 30 20 DBED CC(=O)N[C@@H](CC(=O)N[C@@H](C)CCCCNCC#N)C(N)=O 1175582157 ZCXFMBDCCVHGBX-JQWIXIFHSA-N 311.386 -0.845 30 20 DBED C[C@@H](CCCCNCC#N)NC(=O)[C@@H]1CCS(=O)(=O)N1 1176639249 QWAGJUMPJZCJID-QWRGUYRKSA-N 302.400 -0.534 30 20 DBED CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H](NCC#N)[C@@H]1C 1178753540 NXEITUJWWWHUGH-VWYCJHECSA-N 302.400 -0.583 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)Cc2ncc(CC)[nH]2)C1 1183368531 FYGUNHXMZPDUDE-CYBMUJFWSA-N 317.393 -0.546 30 20 DBED C#CCNC[C@H]1CCN(C(=O)Cn2ccc(O)nc2=O)C[C@@H]1C 1184747821 PDUYIVZTNNFZRY-QWHCGFSZSA-N 318.377 -0.344 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)c2cc(C)nn2C)C1 1191348010 FHKRGTHGXGYFNO-TZMCWYRMSA-N 308.382 -0.294 30 20 DBED C=CCOCC(=O)N[C@@H]1CN([C@@H](C)C(=O)NC2CC2)C[C@H]1O 1191756767 XTGWHQHNKCKADP-CYZMBNFOSA-N 311.382 -0.983 30 20 DBED C=CCN1CC[C@H](N2C[C@@H](O)[C@H](NC(=O)/C=C\C3CC3)C2)C1=O 1192062958 RKIRNYAUBHFFOK-JZDAOAOOSA-N 319.405 -0.099 30 20 DBED C=CCCN(C)[C@@H]1CCN(C(=O)[C@H](CCC(N)=O)NC(C)=O)C1 1192888792 NLJPKKFTYKZQKK-KGLIPLIRSA-N 324.425 -0.135 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)c2cn(C)ccc2=O)C1 1194576506 SWBVBHZGMVVWGP-UKRRQHHQSA-N 321.377 -0.637 30 20 DBED CCN(CCC#N)C(=O)CN1CCCN(C(=O)COC)CC1 1194590461 OIWQMABCELIQJT-UHFFFAOYSA-N 310.398 -0.071 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2nc(C)oc2C)C1 1197130821 OFSHIRRAYWTUMI-VXGBXAGGSA-N 322.365 -0.631 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)CCCCC(N)=O)C1 1197666964 MZNBTYJIAVYOGU-CHWSQXEVSA-N 313.398 -0.604 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2cncn2C)C[C@H]1O 1199315262 WQNGEEGDJANTIX-IACUBPJLSA-N 308.382 -0.328 30 20 DBED N#CCNC[C@@H]1CN(C(=O)[C@@H]2CCCN(C(N)=O)C2)CCCO1 1200911662 NYWQQCCKQQBOPP-CHWSQXEVSA-N 323.397 -0.492 30 20 DBED CN(C)S(=O)(=O)CC(=O)N[C@H]1C[C@@H](NCC#N)C12CCC2 1203671830 WCTWTRZIIKYKDB-MNOVXSKESA-N 314.411 -0.582 30 20 DBED COCCS(=O)(=O)CC(=O)N1CCC(CNCC#N)CC1 1205537237 LGWYVTLSBZGVLA-UHFFFAOYSA-N 317.411 -0.601 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)C2CCOCC2)[C@H](C)C1 1205709981 IRRZVWLRIHEWDB-UMVBOHGHSA-N 321.421 -0.013 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)[C@H]2CCCOC2)[C@H](C)C1 1206531462 DOGZIGDVXWGEOH-HZSPNIEDSA-N 307.394 -0.401 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCCN(C(=O)c2cnsn2)C1 1207500301 YKTXBTMRWNFNDR-MNOVXSKESA-N 321.406 -0.130 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2csnn2)[C@H](C)C1 1208199011 FJINBYWWFSAAFK-NXEZZACHSA-N 307.379 -0.662 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](NCC(=O)NCC#N)C1 1209708827 RWKOQLKETKODJC-MCIONIFRSA-N 320.393 -0.202 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)C(C)(F)F)[C@H](OC)C1 1211761432 DFTKREXSZOREQW-HBNTYKKESA-N 317.336 -0.405 30 20 DBED CC#CCCCC(=O)N[C@@H]1CN(Cc2nnnn2C)C[C@H]1OC 1213302922 ALLZQEJUTSLPSQ-CHWSQXEVSA-N 320.397 -0.281 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](NCCOCC2CC2)[C@H](C)C1 1214473864 SLZFBVKJCCOZBU-UKRRQHHQSA-N 321.421 -0.011 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)c2ccnn2CC)C[C@H]1C 1214496316 YYFMTEPXCTVEJG-CHWSQXEVSA-N 317.393 -0.298 30 20 DBED C#CCOCCC(=O)N1C[C@@H](N[C@H](C)C(=O)NC(N)=O)[C@H](C)C1 1214595558 QVXAAUKVUIIZMG-IJLUTSLNSA-N 324.381 -0.954 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)c2cnn(C)c2CC)C1 1219938235 XPRMYFOMOLXUCQ-HIFRSBDPSA-N 322.409 -0.040 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)c2c[nH]cc2C)C1 1220977979 HQNPJLKCVRTNEX-YUTCNCBUSA-N 320.393 -0.211 30 20 DBED CCN1CCCC[C@H]1C(=O)N[C@@H]1CN(CC#CCOC)C[C@@H]1O 1221083017 BFEPLKHJHFPFDI-PMPSAXMXSA-N 323.437 -0.328 30 20 DBED C=CCNC(=O)CN1CC[C@@H]2CN(C(=O)[C@@]34COC[C@@H]3C4)[C@@H]2C1 1221561919 BRWUHRJJIWZQRR-OEUWWYETSA-N 319.405 -0.142 30 20 DBED C#CCNC(=O)CC(=O)NCC1CCN([C@@H](CC)C(N)=O)CC1 1222908178 UWDDUOSEUGCIOV-ZDUSSCGKSA-N 322.409 -0.782 30 20 DBED N#CCN1CCC(CNC(=O)CCN2C(=O)CCC2=O)CC1 1223763969 DZOCQUDUHRILJG-UHFFFAOYSA-N 306.366 -0.123 30 20 DBED C#CCNC(=O)CC(=O)NC1CCN(Cc2cnnn2C)CC1 1226961725 KTSZCVLGQYNYHI-UHFFFAOYSA-N 318.381 -0.965 30 20 DBED C=C(C)CN(CC)C(=O)C(=O)N1C[C@@H](C(=O)OC)C[C@@H](O)C1 1261483707 BRXQNJVCABPCSC-NWDGAFQWSA-N 312.366 -0.207 30 20 DBED C=CCOCCNC(=O)C(=O)N1CCN(CC(C)C)C(=O)C1 1261670130 CXPZFYHYYMABQS-UHFFFAOYSA-N 311.382 -0.368 30 20 DBED C[C@@H]1COCCN(C(=O)C(=O)NC2CCN(CC#N)CC2)C1 1262220787 YGLHJPBDWMQUFV-LBPRGKRZSA-N 308.382 -0.415 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)c2cc(CC)[nH]n2)C1 1266509415 VFNQHHLTBOBMIR-AAEUAGOBSA-N 317.393 -0.086 30 20 DBED COC[C@@H](O)CN[C@]1(CO)CCCN(C(=O)C#CC2CC2)C1 1273875246 FCDLCPWBYXWELH-GOEBONIOSA-N 310.394 -0.650 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@H](NC(=O)c2ccnc(O)c2)C1 1318245143 PNRAFYHWMBVYJQ-YPMHNXCESA-N 316.361 -0.271 30 20 DBED C=CCCC[C@H](C)NC(=O)C(=O)Nc1ncn(CC(=O)NC)n1 1320007516 KWRQNHMBRWCXKE-JTQLQIEISA-N 322.369 -0.176 30 20 DBED CCn1nc(C)c(NC(=O)C(=O)NCC(=O)NCC#N)c1C 1324973920 PCLCITURNZZGLJ-UHFFFAOYSA-N 306.326 -0.786 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CCC(N2CCCC2=O)CC1 1325475168 OATIBPYRRHTROP-GFCCVEGCSA-N 323.393 -0.083 30 20 DBED C=CCn1cc(C(=O)N2CCC([C@H](O)C(=O)OC)CC2)nn1 1326653515 JVATZZGTVGTEDJ-LBPRGKRZSA-N 308.338 -0.150 30 20 DBED C[C@H]1OCC[C@@]1(O)CNC(=O)C(=O)Nc1cccc(C#N)n1 1326820183 IDTGIOHVPIJQFB-YMTOWFKASA-N 304.306 -0.452 30 20 DBED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N(C)Cc1cn(C)nn1 1328124623 KKCCBCVWFAYSIM-DGCLKSJQSA-N 321.381 -0.129 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2C[C@H]3COC[C@H]3C2)nn1 1330345353 WHRFWKULIJFRHS-PHIMTYICSA-N 305.338 -0.815 30 20 DBED C=CCN1CCC(NC(=O)[C@]2(OC)CCS(=O)(=O)C2)CC1 1331901134 SANBPFAXWGLKQI-AWEZNQCLSA-N 316.423 -0.043 30 20 DBED C#CCN(C(=O)C(=O)NCC1(N2CCOCC2)CC1)C(C)C 1333098009 BUUAPAQZQQEPSF-UHFFFAOYSA-N 307.394 -0.162 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CCC(C(=O)NOC)CC1 1336466332 NAMBUGVSMSTXFH-LLVKDONJSA-N 313.354 -0.780 30 20 DBED CCN1CCN([C@@H](C)CNC[C@H](O)CN(C)CCC#N)CC1 1336732922 IGYMPUPCLUQONQ-HOTGVXAUSA-N 311.474 -0.192 30 20 DBED C=CCn1c([C@@H]2CCC(=O)NC2)nnc1N1CCN(C)C(=O)C1 1338979830 DUEJVLOIGLDKDB-LLVKDONJSA-N 318.381 -0.264 30 20 DBED C#CCN1CCN(c2nnc([C@]3(O)CCOC3)n2CC)CC1 1340876295 RGZNJVNPFBDHAC-HNNXBMFYSA-N 305.382 -0.339 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)NCCN1CCOCC1(C)C 1343079609 HXHAQWATZAUXAQ-LBPRGKRZSA-N 313.398 -0.469 30 20 DBED CS(=O)(=O)Cc1noc(NC(=O)C2(C#N)CCOCC2)n1 1363710916 SKGUACMRVLRLGE-UHFFFAOYSA-N 314.323 -0.127 30 20 DBED CNC(=O)NC(=O)[C@@H](C)N1CCC(N(C)C(=O)[C@H](C)C#N)CC1 1369761094 VMMNFVVJSGVSEI-GHMZBOCLSA-N 323.397 -0.087 30 20 DBED CC[C@H](CNS(C)(=O)=O)NC(=O)N1CCO[C@@H](C#N)C1 1370103508 IQFSNOUKCOZKLU-ZJUUUORDSA-N 304.372 -0.752 30 20 DBED C[C@@H](CNC(=O)[C@@H](C)C#N)NC(=O)c1cccn2c(O)nnc12 1373075509 SKSBYHMKBQRDCP-IUCAKERBSA-N 316.321 -0.171 30 20 DBED C[C@@H](C#N)C(=O)N1CC(CNC(=O)CCn2ccccc2=O)C1 1374842506 ILTITWMHNMFXBH-LBPRGKRZSA-N 316.361 -0.027 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CN(C)C(=O)c1csc(O)n1 1383064624 PCRYHBMRLQCYBX-SFYZADRCSA-N 312.351 -0.443 30 20 DBED C[C@@H](CNC(=O)c1ccc(C#N)[nH]1)CNC(=O)[C@H]1CCC(=O)N1 1388407861 JTJPQXLVMCQLCD-JOYOIKCWSA-N 317.349 -0.353 30 20 DBED C[C@H](CNC(=O)c1cnn[nH]1)N(C)C(=O)c1c[nH]c(C#N)c1 1404407132 TXPJHSPFBSGEJF-MRVPVSSYSA-N 301.310 -0.105 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCN(C)CC(=O)NC1CCOCC1 1406078740 NTIGDHCERVZPJO-LBPRGKRZSA-N 310.398 -0.169 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)CCc1ccn(C)n1 1410132964 OBZIBFBVLXRNOG-JQWIXIFHSA-N 307.354 -0.894 30 20 DBED CC1(C)C[C@H](NC(=O)Cn2cc(C#N)c(O)nc2=O)C(=O)O1 1412718558 WFNNKXGIOFUOBP-QMMMGPOBSA-N 306.278 -0.969 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H](CNC(=O)c1ccc(=O)n(C)n1)C1CC1 1428008233 OEOBSKZGGGYRLQ-CABZTGNLSA-N 317.349 -0.435 30 20 DBED CCCN1C[C@@H](CNc2[nH]c(=O)n(C)c(=O)c2C#N)CC1=O 1472810530 NHEQIGSMFQBTLE-SECBINFHSA-N 305.338 -0.384 30 20 DBED C=C(C)Cn1c(C2=NNC(=O)C2)nnc1N1CCS(=O)CC1 1515805322 WLBOTRJRXZPSHU-UHFFFAOYSA-N 322.394 -0.353 30 20 DBED Cn1nccc1[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CCN(O)C1=O 1553140438 AMJZVLAZRXSYHN-JBLDHEPKSA-N 308.338 -0.006 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNCc2cnn[nH]2)C1 1574985452 CTQCQXANZFSZMV-YDHLFZDLSA-N 316.409 -0.113 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)NCC1CN(Cc2cnn[nH]2)C1 1575038714 GXKFQKMWJUAUNU-CQSZACIVSA-N 320.397 -0.176 30 20 DBED C[C@]1(NC(=O)C2CC3(CNC[C@H]3C#N)C2)CCS(=O)(=O)C1 1576535234 PFKKCVCCPFCVSJ-QCKFIBFJSA-N 311.407 -0.181 30 20 DBED CO[C@@H]1COCC[C@@H]1N(C)c1cnc(-c2nn[nH]n2)c(C#N)n1 1579618413 JXLQKEVUEYTRIK-VHSXEESVSA-N 316.325 -0.232 30 20 DBED C#CC[C@H](NC(=O)Cc1c(C)nc2nc(N)nn2c1C)C(=O)O 1588404667 FMTMOGONVQLUTA-JTQLQIEISA-N 316.321 -0.541 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CC[C@H](C(=O)O)C2)C1=O 1588464253 KJXRBQSPDZEYKJ-QWRGUYRKSA-N 323.349 -0.835 30 20 DBED C[C@H](C(=O)N[C@H](Cn1ccnc1)C(=O)O)n1cnc(C#N)n1 1589389133 WHMKUHZJNKEFFF-RKDXNWHRSA-N 303.282 -0.823 30 20 DBED C[C@@H](CNC(=O)[C@H](C)C#N)Nc1cnc(-c2nn[nH]n2)cn1 1589849451 FOCWANFYMUXGJZ-SFYZADRCSA-N 301.314 -0.267 30 20 DBED O=C(O)c1cn(C2CCN(C(=O)NCC#CCO)CC2)nn1 1602495230 AAWMWYBTVUIPID-UHFFFAOYSA-N 307.310 -0.682 30 20 DBED C#C[C@H](NC(=O)C(=O)Nc1cc(C(=O)O)n(C)c1)[C@H]1CCCO1 1602671379 SBQFNAZYVMNHJD-CMPLNLGQSA-N 319.317 -0.041 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1602763067 WMAOOWOUUIMSGX-VXGBXAGGSA-N 317.353 -0.454 30 20 DBED C=CCOC[C@H](NC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C(=O)OC 1602869919 FRGYWCZWZJLLNX-JTQLQIEISA-N 320.309 -0.331 30 20 DBED N#CCc1ccc(OC[C@@H](O)Cn2nnc(CC(=O)O)n2)cc1 1610624576 UMWXOHXFVVWKOA-NSHDSACASA-N 317.305 -0.194 30 20 DBED C#CCNC(=O)CN[C@@H](CNC(=O)c1ccc(C#N)[nH]1)C1CC1 1752454632 OCWDAQFLPCSCPZ-AWEZNQCLSA-N 313.361 -0.266 30 20 DBED C#CCNC(=O)CN[C@H](CNC(=O)c1cncnc1)C1CC1 1752458099 LTIBCBJCYGNPRM-CYBMUJFWSA-N 301.350 -0.676 30 20 DBED C=CCNC(=O)CN[C@@H](CNC(=O)[C@H]1CCN(C)C1=O)C1CC1 1752480415 MLYSXYKILCQBLQ-OLZOCXBDSA-N 322.409 -0.749 30 20 DBED C#CCNC(=O)CN(C)C[C@H]1CCCN(C(=O)[C@H](O)C(C)C)C1 1752505800 IVYKAORWQKFLRN-GDBMZVCRSA-N 323.437 -0.077 30 20 DBED C=CCNC(=O)NC(=O)CN[C@H]1C[C@@H](NC(=O)[C@@H]2CCCO2)C1 1752713962 ZQZMDUATOOQWAU-TUAOUCFPSA-N 324.381 -0.586 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H](C)CNC(=O)c1ccc(=O)n(C)c1 1752884873 HTWANATXARFGOE-NWDGAFQWSA-N 318.377 -0.769 30 20 DBED CCCc1cc(C(=O)NC[C@H](C)NCC(=O)NCC#N)n[nH]1 1752896071 WQFPVHRNNLQXIA-JTQLQIEISA-N 306.370 -0.290 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@H]1CCCN(C(=O)CCN(C)C)C1 1752995925 FEJAUOAMEJIGKP-GJZGRUSLSA-N 322.453 -0.001 30 20 DBED C#CCNC(=O)CNCCN(C)C(=O)C(=O)N1CCC[C@@H](C)C1 1753238920 ZKKSZIZYFXNEHP-CYBMUJFWSA-N 322.409 -0.958 30 20 DBED C#CCNC(=O)CN[C@H](CC)CNC(=O)[C@@H]1CN2CCC1CC2 1753474474 XRHHGFCHSFFDDR-HUUCEWRRSA-N 320.437 -0.438 30 20 DBED C#CCNC(=O)CNC[C@@H](O)CNC(=O)[C@H]1CCC(C)(C)C1 1753927155 DZEGYOAARFYVPZ-QWHCGFSZSA-N 309.410 -0.371 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H](C)CNCC(=O)NC1CC1 1754229364 BQQREVAAWWCUPF-OCCSQVGLSA-N 306.410 -0.543 30 20 DBED C[C@@H](CNCC(=O)NCC#N)NC(=O)c1c[nH]c2nccc-2c1 1754271656 ZEBYDCNDESRPIR-JTQLQIEISA-N 314.349 -0.138 30 20 DBED CC[C@H]1CN(C(=O)CCNC(=O)COC)CC[C@H]1NCC#N 1754463781 GKYUVLMIJMZRSF-QWHCGFSZSA-N 310.398 -0.121 30 20 DBED C#CCNC(=O)[C@H](C)NC1(CNC(=O)[C@H]2CCCC(=O)N2)CC1 1754517287 ICWQULLHVRRVAF-NWDGAFQWSA-N 320.393 -0.969 30 20 DBED C#CCNC(=O)CNC1(CNC(=O)Cc2ncccc2F)CC1 1754522016 ABGSCTVIHBCMLC-UHFFFAOYSA-N 318.352 -0.249 30 20 DBED COCC#CCN1CC(O)(CNC(=O)c2scnc2C)C1 1754765745 VFQPULFVRBXLSV-UHFFFAOYSA-N 309.391 -0.122 30 20 DBED CC(C)(CN1CCOCC1)C(=O)NC1(CCO)CN(CC#N)C1 1755333110 XAYVFHCVZAHFSP-UHFFFAOYSA-N 324.425 -0.579 30 20 DBED C=C(C)CN1C[C@@H](NC(=O)CNS(=O)(=O)NC)C(C)(C)C1 1755410540 UNRDBOKHBAPGJF-LLVKDONJSA-N 318.443 -0.557 30 20 DBED CO[C@@H]1CCn2cc(C(=O)NC[C@@H](CO)NCC#N)nc2C1 1755631322 DAGGVPCROLIBMN-WDEREUQCSA-N 307.354 -0.952 30 20 DBED C#CCO[C@@H](C)C(=O)NC1(CCO)CN(C(=O)CCOC)C1 1756083517 XEUCQXGIMSGIMX-LBPRGKRZSA-N 312.366 -0.859 30 20 DBED C#CCOCCC(=O)N[C@H](C)C1CN(C(=O)c2cnnn2C)C1 1756142085 ONXCSOYUVPHHDU-LLVKDONJSA-N 319.365 -0.568 30 20 DBED CC(C)C#CC(=O)N[C@H]1C[C@H](C)N(C(=O)Cn2cnnn2)C1 1756576693 PQGSRDLDTBRMCH-RYUDHWBXSA-N 304.354 -0.562 30 20 DBED C=CCO[C@H](C)C(=O)NC[C@H](O)CN(C)C(=O)c1cnn(C)c1 1756650526 SSNCBEJOLVCSJE-YPMHNXCESA-N 324.381 -0.440 30 20 DBED C#CCNC(=O)CC(=O)N(C)CCN(C(=O)COC)C(C)C 1756688327 SWLHVKXNFFSVQN-UHFFFAOYSA-N 311.382 -0.532 30 20 DBED Cc1cnoc1C(=O)N1C[C@@H](O)[C@H](NC(=O)C#CC2CC2)C1 1756995807 MGJYJQDIXFGOLE-VXGBXAGGSA-N 303.318 -0.302 30 20 DBED C=CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CN(C)C1 1801558816 CMWKFSASYPDANE-AGGWBTHJSA-N 307.394 -0.286 30 20 DBED CC(=O)N(C)[C@@H](C)C(=O)N1CC2(CCCN2C(=O)CC#N)C1 1842622200 LTDGDOMNXGEYKW-NSHDSACASA-N 306.366 -0.030 30 20 DBED N#CC1(C(=O)N2CC3(CCCN3C(=O)[C@H]3CCC(=O)N3)C2)CC1 1842796678 XKKYLVGCHQRFOW-LLVKDONJSA-N 316.361 -0.228 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)C(=O)N(C)C)C1 1842835446 ATGQUHVABGYCNP-LBPRGKRZSA-N 323.393 -0.131 30 20 DBED C#CC(=O)N1CCCC12CN(C(=O)[C@H]1CCCS1(=O)=O)C2 1845960373 WJUNXOHILJVYNP-LLVKDONJSA-N 310.375 -0.600 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@H](C)n2cncn2)CC1 78236177 JIFYACZDUAVRCK-LBPRGKRZSA-N 306.370 -0.715 30 20 DBED COC[C@](C)(C#N)NC(=O)C1=CC=CN2CCS(=O)(=O)N=C12 269520647 QBYMYCPCIKSKEB-ZDUSSCGKSA-N 324.362 -0.471 30 20 DBED COC(=O)C[C@@H]1C(=O)NCCN1CCC(=O)N(C)CCC#N 271481439 DLFIUKOBAQYDOR-LLVKDONJSA-N 310.354 -0.888 30 20 DBED C=CCCS(=O)(=O)N1CCS(=O)(=O)C[C@H]1C(=O)OC 274943039 RIIZJYJESOHCEJ-VIFPVBQESA-N 311.381 -0.836 30 20 DBED N#Cc1ccc(S(=O)(=O)N[C@@H](CCC(=O)O)C(=O)O)o1 287098712 DOAHXLHFXJCZRV-ZETCQYMHSA-N 302.264 -0.252 30 20 DBED COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N1CCO[C@H](C#N)C1 300167787 MBJKSSYSMXHSPZ-MXWKQRLJSA-N 302.352 -0.118 30 20 DBED CCN1CCC[C@H]1CN/C(N)=N/CCN1CCCS1(=O)=O 303982562 QHWLARASENSGNA-LBPRGKRZSA-N 317.459 -0.590 30 20 DBED CN1CCOC[C@@H]1/C(O)=N/C[C@H]1CCCN1S(C)(=O)=O 329003726 YBWPHOKUFORELF-GHMZBOCLSA-N 305.400 -0.303 30 20 DBED C[C@@H]1COCC[C@@H]1N/C(O)=N/CCN1CCCS1(=O)=O 330334888 RCASZRZQPLXFGE-MNOVXSKESA-N 305.400 -0.050 30 20 DBED CC(C)C(=O)NCC/N=C(/O)N[C@@H]1CCCS(=O)(=O)C1 330711892 VMOCLRFZTPDZSD-SNVBAGLBSA-N 305.400 -0.161 30 20 DBED C[C@H](CCO)/N=C(/O)NC1CCN(CC(=O)N(C)C)CC1 330904123 YWVKNDQBPYLVMF-LLVKDONJSA-N 300.403 -0.187 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@@H](C(N)=O)C(C)C 337056064 CDVCCXOTJFYYBL-SNVBAGLBSA-N 306.388 -0.807 30 20 DBED C=CC[C@@H](CO)NC(=O)N[C@H]1CCN(CCC(=O)OC)C1=O 346341932 VCOJGHVQJAAGAP-QWRGUYRKSA-N 313.354 -0.613 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)NC[C@H](O)[C@@H]2CCOC2)cc1 347104001 OUIHIJNSSHZKBS-KGLIPLIRSA-N 317.345 -0.198 30 20 DBED C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)NC1CCC1 349574389 AASWCJCNQAQLNH-VIFPVBQESA-N 309.413 -0.320 30 20 DBED C[C@H]1Cc2cc(S(=O)(=O)NCC(=O)NCC#N)ccc2O1 352538743 OEHGIYNFEHQVBX-VIFPVBQESA-N 309.347 -0.072 30 20 DBED C=CCOCC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 354584043 XYKCCLJROFYZTK-UHFFFAOYSA-N 323.349 -0.991 30 20 DBED C=CCCC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 376496731 YVJYHVKMWNJINC-VXGBXAGGSA-N 302.396 -0.433 30 20 DBED CN(CC(N)=O)c1cc(C#N)c([N+](=O)[O-])c(N(C)CC(N)=O)c1 428131354 PLCHVZKWHRTHQQ-UHFFFAOYSA-N 320.309 -0.691 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)CN2CCC(C)CC2)CC1 491071893 OGKYDFFONOZBCT-UHFFFAOYSA-N 320.437 -0.388 30 20 DBED C#CCN1CCN(C(=O)Cn2nc(C(N)=O)nc2CCC)CC1 491545610 RLTSGOWSHJRGNC-UHFFFAOYSA-N 318.381 -0.893 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@H](O)C2CCCCC2)CC1 491773813 CQYFVOFZBOSGDC-MRXNPFEDSA-N 321.421 -0.179 30 20 DBED N#CC1(CNC(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)CC1 562436959 MODSKPAXPUXTHA-FPQZTECRSA-N 317.345 -0.041 30 20 DBED C=CCn1cc(CNC(=O)N[C@H]2CCc3nnnn3CC2)nn1 566617823 VEXNGRKAAIDQBV-JTQLQIEISA-N 317.357 -0.345 30 20 DBED N#CC1(CNC(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)CC1 578714414 NTCOZSKRZIRFIE-UHFFFAOYSA-N 319.365 -0.577 30 20 DBED CNS(=O)(=O)[C@H]1CCN(Cc2cnc3c(C#N)cnn3c2)C1 583813096 UJZKNEVJNQVVGP-LBPRGKRZSA-N 320.378 -0.276 30 20 DBED C=CCn1cc(C(=O)N2CCC[C@H]2C(=O)NCC(=O)OC)nn1 592638716 LGQDCASGWMXUGP-NSHDSACASA-N 321.337 -0.642 30 20 DBED CC[C@@H](C#N)C(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 593413814 CUUZOGSOVMHRNT-NSHDSACASA-N 320.349 -0.644 30 20 DBED CC#CC[C@@H](CO)NC(=O)CN1C(=O)NC(CC)(CC)C1=O 649194108 USDKNJSTXCFCKL-NSHDSACASA-N 309.366 -0.013 30 20 DBED C=CCN(C)C(=O)C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 658121908 YDHXKTIERWVCFV-CQSZACIVSA-N 308.426 -0.131 30 20 DBED C[C@H](CS(C)(=O)=O)C(=O)O[C@H](C)C(=O)N(C)CCC#N 747082864 WXZCPBUUDOJPPP-NXEZZACHSA-N 304.368 -0.029 30 20 DBED CNC(=O)[C@@H]1CN(c2cccc(S(N)(=O)=O)c2C#N)CCO1 755020115 PFLCQMUYOUGJKX-NSHDSACASA-N 324.362 -0.843 30 20 DBED C=CCN(CC=C)C(=O)COC(=O)[C@@H](C)NS(C)(=O)=O 758476782 KSQYTUBDEBKKEZ-SNVBAGLBSA-N 304.368 -0.332 30 20 DBED CNC(=O)[C@H](CO)NS(=O)(=O)c1cccc(F)c1C#N 773288383 BYNKIIOTHRQJNC-VIFPVBQESA-N 301.299 -0.917 30 20 DBED C#C[C@H](C)NC(=O)N1CCN(S(=O)(=O)N(CC)CC)CC1 773601808 LQEIXIQOYYJVHS-LBPRGKRZSA-N 316.427 -0.078 30 20 DBED CNS(=O)(=O)CCC(=O)O[C@H](C)C(=O)NC1(C#N)CCC1 787768272 NLBVOZPWXPFIPR-SECBINFHSA-N 317.367 -0.580 30 20 DBED C[C@@H]1C[C@H](O)CN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 788539148 LPXKEVIGFLIIRB-ZJUUUORDSA-N 323.374 -0.293 30 20 DBED C#CCC[C@@H](O)CNC(=O)NCCS(=O)(=O)NC(C)(C)C 798367181 WWBNGFOLELWQIA-LLVKDONJSA-N 319.427 -0.222 30 20 DBED N#CCNC(=O)CNC(=O)COc1ccc([N+](=O)[O-])c(F)c1 804821184 YDWXPVIUXLMVKO-UHFFFAOYSA-N 310.241 -0.131 30 20 DBED CC1(Cn2cc(C(=O)N[C@H]3CCCN(O)C3=O)nn2)COC1 816759218 IJEROQVEYCNSKA-VIFPVBQESA-N 309.326 -0.575 30 20 DBED C[C@@](C#N)(CC(=O)O)C(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 819810868 GVHMIOOLXZZHPP-SKDRFNHKSA-N 317.367 -0.469 30 20 DBED CNC(=O)Cn1nc(NC(=O)[C@@](C)(C#N)CC(=O)O)cc1C 820637191 FSQSPGSYIJTILN-CYBMUJFWSA-N 307.310 -0.119 30 20 DBED C#CCC[C@@H](O)CNC(=O)Nc1ncn(CC(=O)OCC)n1 824448354 FFMQXJWHRFAOAO-SNVBAGLBSA-N 309.326 -0.263 30 20 DBED CC(C)c1nnc(S)n1N=Cc1cn(C)c(=O)n(C)c1=O 839394438 FZYABUGMOGBDRN-UHFFFAOYSA-N 308.367 -0.030 30 20 DBED C/N=C(/NCCN1CCOCC1)NCc1cnn(CCOC)c1 848987443 YKHMMKWIUMKTLJ-UHFFFAOYSA-N 324.429 -0.473 30 20 DBED C#CC1(O)CN(C(=O)N[C@H]2CCCN(c3ccn(C)n3)C2=O)C1 893277518 ZJGLTHQSCDSGEJ-NSHDSACASA-N 317.349 -0.695 30 20 DBED C#CCn1cc(CNS(=O)(=O)c2n[nH]cc2C(=O)OC)cn1 912557333 YIFUBZJUPJQDLH-UHFFFAOYSA-N 323.334 -0.496 30 20 DBED CC1=C(C(=O)NCC#CCN(C)C)[C@H](C)n2nnnc2N1C 913523383 YCWTZPOTOKOVDB-NSHDSACASA-N 303.370 -0.361 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[C@@H]3COCCO3)C2)[nH]1 937700097 VOKOEVILJWSTSV-AAEUAGOBSA-N 318.333 -0.368 30 20 DBED C#CCN1CC[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)[C@H](C)C1 942105022 GDHXQCPUFKYTFL-OLZOCXBDSA-N 318.377 -0.993 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)C[C@@H]1C 947926469 YOSWERAVGVBQIJ-QWHCGFSZSA-N 320.393 -0.127 30 20 DBED C[C@H](C#N)C(=O)N1CCC(NC(=O)[C@H]2C[C@H]2C(=O)N(C)C)CC1 948099119 PLBZUIXIEQTORF-KGYLQXTDSA-N 320.393 -0.022 30 20 DBED CC#CCN1CCN(C(=O)[C@H](Cn2cccn2)N(C)C)CC1 948750998 JFIFVLWOUBMZJT-HNNXBMFYSA-N 303.410 -0.019 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)CCn1cnnn1)CCO2 949214968 DPEAFTWXSAKOGZ-UHFFFAOYSA-N 318.381 -0.610 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]1CNC(=O)c1nnn(C(C)(C)C)n1 950358384 FHAXVEQRJLKOSJ-NXEZZACHSA-N 319.369 -0.082 30 20 DBED O=C1NC[C@H](C(=O)N[C@@H]2CCCN(C(=O)C#CC3CC3)C2)N1 950760942 BYYKPCQKHLSPQX-VXGBXAGGSA-N 304.350 -0.812 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N(C)C(=O)c2cnn(C)n2)C1 954779371 PMZRIDUAKHWSNL-YPMHNXCESA-N 319.365 -0.311 30 20 DBED C#CCCN1C[C@H](CNC(=O)c2nc(C)c(C)nc2O)[C@@H](O)C1 958179389 MAGIVVYCJRWCGC-STQMWFEESA-N 318.377 -0.155 30 20 DBED C=CCN1C[C@@H](O)[C@@H](CNC(=O)c2cccc(C(N)=O)c2)C1 958190436 GWGIQVZXKOMQHV-UONOGXRCSA-N 303.362 -0.006 30 20 DBED COc1cc(C(=O)NC[C@H]2CN(CC#N)C[C@H]2O)cc(OC)n1 958219249 ICIABRSOTCHEJO-NWDGAFQWSA-N 320.349 -0.355 30 20 DBED C#Cc1ccccc1CC(=O)N[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C 958342521 BXGHRMVFHPTCBU-BXUZGUMPSA-N 313.357 -0.341 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2ccc(C(N)=O)s2)C1 958476231 HJDCXVYLAKXVAC-NXEZZACHSA-N 307.375 -0.497 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C#N)[nH]2)C1 958826223 LUGDZQXWXOBOPS-XDTLVQLUSA-N 315.333 -0.310 30 20 DBED C#CCCN1C[C@H]2C(NC(=O)[C@@H]3CCCN(C(N)=O)C3)[C@@H]2C1 960891152 AFLRDWQGVBKTBH-JHJVBQTASA-N 304.394 -0.153 30 20 DBED C=C(C)CN1C[C@H]2C(NC(=O)c3cnc(O)n(C)c3=O)[C@@H]2C1 961462242 TXDZDEBBUHGLBL-GHMZBOCLSA-N 304.350 -0.278 30 20 DBED Cc1noc(C)c1C(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1O 961478133 RKMZDXUMRLRCRX-XROYCOCOSA-N 306.322 -0.247 30 20 DBED Cc1ncn(C)c1C(=O)NC[C@H]1COCCN1C(=O)[C@@H](C)C#N 964231198 CJRCLJUZZOBVIX-JQWIXIFHSA-N 319.365 -0.155 30 20 DBED C#CCN1CCC(C(=O)N[C@H]2COC3(C2)CN(C(C)=O)C3)CC1 965723418 SKIGRWAJGWSLFR-OAHLLOKOSA-N 319.405 -0.162 30 20 DBED C=CCN1CCO[C@@]2(CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)C1 972549257 MZPMGVLMLNNAIS-ZENOOKHLSA-N 323.393 -0.491 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)C(=O)N3CC[C@H](C)C3)C2)C1 972632464 SMUMOZMVZOBDRL-YOEHRIQHSA-N 319.405 -0.209 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)Cn3nccn3)C2)[nH]1 973180744 IXXRJMZKYDSZIX-XYPYZODXSA-N 313.321 -0.445 30 20 DBED NC(=O)C1(C(=O)N2C[C@H]3CCN(C(=O)C#CC4CC4)C[C@H]32)CC1 974953020 LPBSMVVNBCJSSE-CHWSQXEVSA-N 315.373 -0.275 30 20 DBED N#Cc1ccc(C(=O)NC2CN(C(=O)Cc3cncnc3)C2)[nH]1 990889156 ZNHFJPRGKJTKCE-UHFFFAOYSA-N 310.317 -0.140 30 20 DBED COC(=O)[C@H]1C[C@@H]1C(=O)N1CC(NC(=O)c2ccc(C#N)[nH]2)C1 990891347 YTECPPCQIRYMCN-QWRGUYRKSA-N 316.317 -0.364 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@@H](NC(=O)c2cnnn2C)[C@@H](O)C1 991445624 YROOWPGRYYSLPS-PWSUYJOCSA-N 321.381 -0.281 30 20 DBED C#Cc1ccc(C(=O)N2CC(NC(=O)[C@H]3CCN(C)C3)C2)nc1 991720255 YYSJAYKBKYLDSI-ZDUSSCGKSA-N 312.373 -0.045 30 20 DBED O=C(NC1CN(C(=O)C#CC2CC2)C1)[C@@H]1CCCCS1(=O)=O 993916195 DOVASNRKLVCKQQ-ZDUSSCGKSA-N 324.402 -0.306 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)c2cccn3c(O)nnc23)C1 996397233 UDROBTKRTMOIPW-QMMMGPOBSA-N 314.305 -0.465 30 20 DBED CC1(C)CN(C(=O)c2cc(=O)n3[nH]cnc3n2)C[C@H]1NCC#N 996520024 RGZUPZNEUOPMLY-SNVBAGLBSA-N 315.337 -0.619 30 20 DBED N#Cc1ccc(C(=O)N2CCC[C@H](N[C@H]3CCNC3=O)C2)[nH]1 998963688 ZBJONRSNAYDCHY-RYUDHWBXSA-N 301.350 -0.031 30 20 DBED N#CCN[C@H]1CCCN(C(=O)CCc2nnc(O)nc2O)C1 999590149 XGRUCBYXXRYPGU-VIFPVBQESA-N 306.326 -0.680 30 20 DBED CC#CCN1CCC(N(C)C(=O)CN2C(=O)CNC2=O)CC1 1006376339 BPHYPRJSNPAPJE-UHFFFAOYSA-N 306.366 -0.516 30 20 DBED C#Cc1ccc(C(=O)N2CCN(C(=O)Cn3nccn3)CC2)nc1 1011187507 WVJNHEJTYNTKHW-UHFFFAOYSA-N 324.344 -0.361 30 20 DBED COc1cnc(C(=O)NC2[C@@H]3CN(C(=O)[C@@H](C)C#N)C[C@@H]23)nc1 1013488268 USLSJSUTIILHKT-JMJZKYOTSA-N 315.333 -0.169 30 20 DBED NC(=O)[C@@H]1C[C@@H]1C(=O)NC1[C@H]2CN(C(=O)C#CC3CC3)C[C@H]12 1013801949 GQGZZRYBVIREGE-RHYQMDGZSA-N 301.346 -0.906 30 20 DBED C=CCCn1cc(C(=O)N[C@H]2CCN([C@H](C)C(N)=O)C2)nn1 1015821031 PVNSQDNXIZCFRZ-MNOVXSKESA-N 306.370 -0.468 30 20 DBED N#Cc1ccc(C(=O)NCC2=CCN(C(=O)C(N)=O)CC2)[nH]1 1017389030 BKGXKBIVBYRFOF-UHFFFAOYSA-N 301.306 -0.740 30 20 DBED C[C@@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(CCN1C(=O)CNC1=O)C2 1017419311 VVRGLFPMZJGQJH-SRVKXCTJSA-N 319.365 -0.627 30 20 DBED C#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CC(=O)N(CCOC)C1 1017596363 KOIZUVDTHBTUNT-KFWWJZLASA-N 319.405 -0.210 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(CN(C(=O)c3cc(=O)n(C)o3)C2)C1 1018973083 DFSYNWNNEKGPLA-JTQLQIEISA-N 318.333 -0.188 30 20 DBED NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC2(CN(C(=O)C#CC3CC3)C2)C1 1019011195 BWFFGDMLANDPCY-OLZOCXBDSA-N 315.373 -0.418 30 20 DBED NC(=O)C1(C(=O)N2CC3(CCN(C(=O)C#CC4CC4)C3)C2)CC1 1019353849 CEWAPAYLNYOKEK-UHFFFAOYSA-N 315.373 -0.274 30 20 DBED N#CCN1CCC[C@H]1CNC(=O)c1ccc(S(N)(=O)=O)o1 1027994075 GRAZAORDJFDITJ-VIFPVBQESA-N 312.351 -0.355 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2CCCN2[C@H](C)C(N)=O)nn1 1028188067 SCQGWWDKQBQDEJ-MNOVXSKESA-N 306.370 -0.468 30 20 DBED C#CCN1[C@H]2CC[C@H]1CN(C(=O)c1ccc(-n3cnnn3)cn1)C2 1029408524 VPNBLFOZOUVKSR-KBPBESRZSA-N 323.360 -0.021 30 20 DBED CNC(=O)[C@H](C)N1CCO[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1 1035331581 LYMNPCWMAWFHBZ-CMPLNLGQSA-N 319.365 -0.549 30 20 DBED N#CCN1CCO[C@H](CNC(=O)c2ccc(C(N)=O)nc2)C1 1035621633 MOGGFNUVWCNRGU-LLVKDONJSA-N 303.322 -0.865 30 20 DBED C[C@@H](c1nnnn1C)N1CC[C@@H]1CNC(=O)c1c[nH]c(C#N)c1 1038175284 NRZOVSTWOLHYKD-JOYOIKCWSA-N 314.353 -0.025 30 20 DBED C=C(C)CCC(=O)NC[C@]1(O)CCN(C(=O)[C@H]2CNC(=O)N2)C1 1039986354 BHMRTEHXUKWAMI-IAQYHMDHSA-N 324.381 -0.896 30 20 DBED C=CCN1[C@H]2CCC[C@H]1CN(C(=O)[C@@H]1CCS(=O)(=O)N1)C2 1040008693 JJFUPKSNVJTVLB-AVGNSLFASA-N 313.423 -0.071 30 20 DBED Cn1nnc(C(=O)N2CC[C@H]3CN(c4ccc(C#N)cn4)C[C@H]32)n1 1040782019 HAWBXFYSRUCZGK-NWDGAFQWSA-N 324.348 -0.172 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)CC2=CCOCC2)C1 1040819691 BVVOKSGDVGLHEI-LRDDRELGSA-N 321.377 -0.038 30 20 DBED Cc1ncncc1C(=O)NCC1(O)CN(C(=O)C#CC(C)C)C1 1041680447 PEIJSUHVXYKWLG-UHFFFAOYSA-N 316.361 -0.252 30 20 DBED C=CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)C[C@@H](C)OC)C1 1041948644 SCBIFIAMXSMLLD-VXGBXAGGSA-N 314.382 -0.308 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)CN2CCCCC2=O)C1 1041956234 BMFCCUGLFIMTPL-UHFFFAOYSA-N 323.393 -0.345 30 20 DBED Cn1cc(C(=O)N2CC[C@@H]3CCN(CC#N)[C@@H]3C2)c(O)nc1=O 1042353217 JXSZJYRQABPXOC-CMPLNLGQSA-N 317.349 -0.454 30 20 DBED CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2c[nH]c(C#N)c2)C1 1042669748 WIPSRBYLCCVYHI-JTQLQIEISA-N 320.349 -0.386 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)CCc2ncc[nH]2)C1 1042823719 NTIXFYCOEHNROO-UHFFFAOYSA-N 322.365 -0.766 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)CC2(O)CCC2)C1 1042945974 SATOWKLAJOOQJZ-UHFFFAOYSA-N 308.378 -0.360 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)C23CCCN2CCC3)C1 1043970432 QNMCBRQQUWZYJR-LBPRGKRZSA-N 320.393 -0.536 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)c2nonc2C)C1 1044465264 YVFKDJMCDFTIHZ-UHFFFAOYSA-N 308.338 -0.107 30 20 DBED C=CCCCC(=O)NCC1(O)CN(C(=O)[C@H](C)CC(N)=O)C1 1045462278 CTVBDGTXHDECDB-LLVKDONJSA-N 311.382 -0.456 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)CCc2cnccn2)C1 1045546954 SXTPPDJYJVONCA-NSHDSACASA-N 317.349 -0.742 30 20 DBED Cc1noc(C)c1CC(=O)N1CC(O)(CNC(=O)[C@@H](C)C#N)C1 1045554341 CTQKWRJPURFAGV-VIFPVBQESA-N 320.349 -0.317 30 20 DBED C=CCCN1CC[C@H](N2CCN(C(=O)[C@@H]3CCNC3=O)CC2)C1 1046049681 VHOMIQPCIYJCJM-LSDHHAIUSA-N 320.437 -0.083 30 20 DBED C#CCN1CC[C@H](N2CCN(C(=O)CCc3cnn[nH]3)CC2)C1 1046063861 ZYNDLLSMMOKSEB-HNNXBMFYSA-N 316.409 -0.411 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CCCCC(=O)N2)C1 1047609517 HTDJDSMPJRRVEA-KKUMJFAQSA-N 321.421 -0.038 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2ccncn2)C1 1049297105 SXDAYZOMSZVTEZ-STQMWFEESA-N 320.349 -0.677 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H]2[C@H]1CCN2Cc1nnn(C)n1 1049382461 ODCKSDYHRFFMHN-GRYCIOLGSA-N 303.370 -0.065 30 20 DBED CC(C)[C@H](C(=O)N(C)[C@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1O)N(C)C 1049475631 ZLKUGTWVDORCOS-XDQVBPFNSA-N 324.425 -0.238 30 20 DBED C=CCCOCC(=O)N1CC[C@@H]([C@H](C)NC(=O)CC(N)=O)C1 1051017882 NTZOWEICBVUSBC-NWDGAFQWSA-N 311.382 -0.192 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)[C@H]1CCCS1(=O)=O 1051256622 ZUCNKIQQUNTPOV-VXGBXAGGSA-N 300.380 -0.986 30 20 DBED Cn1cnc(C(=O)NCC2CC(N=c3cc[nH]c(C#N)n3)C2)n1 1051916046 NWMSDSWSGDEIRF-UHFFFAOYSA-N 312.337 -0.481 30 20 DBED C#CCN1CCN([C@@H]2CCN(C(=O)C[C@@H]3COC(=O)C3)C2)CC1 1052013102 RCFBYIDCQVDLAD-LSDHHAIUSA-N 319.405 -0.209 30 20 DBED C=C(C)CN1CC2(C1)CN(C(=O)Cn1ncn(C)c1=O)CCO2 1053320925 OMUXZVSLFHHURX-UHFFFAOYSA-N 321.381 -0.929 30 20 DBED CCN1CCOC[C@@H]1C(=O)N1CCOC2(CN(CC#N)C2)C1 1053321477 JESUGVUDIHFKLM-CYBMUJFWSA-N 308.382 -0.856 30 20 DBED CC#CCN1CC2(CC[C@@H](CNC(=O)[C@@H]3CCNC3=O)O2)C1 1053643002 RNKVRCMQHZNCDS-QWHCGFSZSA-N 305.378 -0.505 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)[C@@H]3CCCc4nn[nH]c43)CO2)C1 1053908682 YUXFNIRLJDXFQP-VXGBXAGGSA-N 315.377 -0.183 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)C3)CO2)C1 1053927629 GWSOOLCZWJZTHG-WOPDTQHZSA-N 306.366 -0.629 30 20 DBED N#Cc1nc(=N[C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)c2nc[nH]n2)C3)cc[nH]1 1054827609 PQPCHYNULCOODJ-AXFHLTTASA-N 324.348 -0.007 30 20 DBED C[C@H](C#N)C(=O)NC1CCN(CCNC(=O)c2nc[nH]n2)CC1 1055613721 KIUPTLYJTZWIIZ-SNVBAGLBSA-N 319.369 -0.725 30 20 DBED N#Cc1ccc(N2CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)nn1 1055862862 OPVNYLOSBQMJIM-NSHDSACASA-N 300.322 -0.725 30 20 DBED Cn1cc(C(=O)N[C@H]2[C@@H]3CN(c4ccnc(C#N)n4)C[C@@H]32)nn1 1056199224 UOEPHGVLQOPOHK-WOFXILAISA-N 310.321 -0.659 30 20 DBED CNC(=O)CC(=O)N1C[C@@H]2CCCN(C(=O)[C@H](C)C#N)[C@@H]2C1 1056713945 VYINUHLUXLLWSV-GRYCIOLGSA-N 306.366 -0.268 30 20 DBED C=CCCO[C@H](C)C(=O)NCCN(CCO)C(=O)COC 1056784250 GALYKTVGLCPDTR-GFCCVEGCSA-N 302.371 -0.449 30 20 DBED CN(c1cncc(C#N)n1)[C@@H]1CCN(C(=O)[C@@H]2COCCO2)C1 1056868423 DCMNGHDDZTVEOM-OLZOCXBDSA-N 317.349 -0.199 30 20 DBED N#Cc1cnc(N2CCCN(C(=O)[C@@H]3COCCO3)CC2)cn1 1057091968 QFTODGCAPYVAQK-ZDUSSCGKSA-N 317.349 -0.198 30 20 DBED Cn1cnc(C(=O)N2CCC(N=c3cc[nH]c(C#N)n3)CC2)n1 1057323774 STUQJNWEJUIASZ-UHFFFAOYSA-N 312.337 -0.385 30 20 DBED C#CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)c1ccon1 1057582982 DMLPIQSHDFKEPX-NSHDSACASA-N 309.322 -0.736 30 20 DBED CCc1cnc(CC(=O)N(CCO)CCNC(=O)[C@@H](C)C#N)[nH]1 1057964501 RZWURLOETCDYSY-NSHDSACASA-N 321.381 -0.389 30 20 DBED C=CC(C)(C)C(=O)N(CCO)CCNC(=O)C1(C(N)=O)CC1 1058303559 BMIYYKVEHQZKDO-UHFFFAOYSA-N 311.382 -0.599 30 20 DBED C=C[C@H](C)[C@@H](C)C(=O)N(CCO)CCNC(=O)CC(=O)NC 1058436141 XCPZOBNALBKARQ-NWDGAFQWSA-N 313.398 -0.482 30 20 DBED CCn1nncc1C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N 1058652822 GDGRRIYTLKEVHX-JTQLQIEISA-N 308.342 -0.992 30 20 DBED C=CCO[C@H](C)C(=O)NCCN(CCO)C(=O)Cc1cnc[nH]1 1058948948 HCZUPMPZIWHZAJ-GFCCVEGCSA-N 324.381 -0.520 30 20 DBED C[C@H](C(=O)N1CC[C@H](N=c2cc[nH]c(C#N)n2)C1)S(C)(=O)=O 1059109703 RSFIFLQBLXSDCR-ZJUUUORDSA-N 323.378 -0.784 30 20 DBED C#CCCCC(=O)NC[C@@H]1COCCN1C(=O)[C@H](C)CC(N)=O 1061534339 MBZMMLXOTRPYHC-CHWSQXEVSA-N 323.393 -0.355 30 20 DBED CCNC(=O)CC(=O)N1CCOC[C@H]1CNC(=O)C#CC1CC1 1061569474 FVLQAXPKKFZNGK-CYBMUJFWSA-N 321.377 -0.730 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)CCc1cnc[nH]1 1061663581 OUMCWHHHCMTCHC-YPMHNXCESA-N 319.365 -0.154 30 20 DBED C=C(C)CCC(=O)N1CCOC[C@H]1CNC(=O)Cn1cncn1 1061917727 NJAUHWFKHSEFNT-CYBMUJFWSA-N 321.381 -0.022 30 20 DBED N#Cc1nccnc1N1[C@H]2CC[C@H]1CN(C(=O)CC(N)=O)C2 1061938469 AEZKLKIFVWOVNA-UWVGGRQHSA-N 300.322 -0.597 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@@H]1CNC(=O)C(N)=O 1062354196 WBLNXSAHOBBKIX-UTUOFQBUSA-N 309.366 -0.440 30 20 DBED CN(C(=O)Cc1nc[nH]n1)[C@@H]1CCN(c2cnc(C#N)cn2)C1 1062976226 HIXMYBYRMXYZQJ-LLVKDONJSA-N 312.337 -0.254 30 20 DBED N#Cc1cncc(N2CCO[C@@H](CNC(=O)[C@@H]3CCCO3)C2)n1 1063605679 QORFWOZTPCCFTM-STQMWFEESA-N 317.349 -0.151 30 20 DBED CC(=O)N[C@H](C)C(=O)N1CCO[C@@H](CNC(=O)C#CC2CC2)C1 1064817925 MHZAHSCATWRSAA-RISCZKNCSA-N 321.377 -0.732 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)CSC)CCO1 1064818811 UFXOFHGPJRGEPU-LLVKDONJSA-N 302.396 -0.104 30 20 DBED C=CCO[C@H](C)C(=O)NC[C@@H]1CN(C(=O)c2cnon2)CCO1 1065509967 JRZVGMCPPBCBHK-GHMZBOCLSA-N 324.337 -0.382 30 20 DBED O=C(C#CC1CC1)N[C@H]1CCCN(C(=O)[C@@H]2CNC(=O)N2)CC1 1066152864 LDNJZIYKVVZANI-STQMWFEESA-N 318.377 -0.422 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](CNC(=O)c3nc[nH]n3)C2)cn1 1067675483 CEKHGOJTCDZSAJ-SKDRFNHKSA-N 313.321 -0.702 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1COC2(C1)CN(C(=O)CN1CCCC1)C2 1069008662 ULIIARVFIKDKSJ-CHWSQXEVSA-N 320.393 -0.272 30 20 DBED Cc1nn[nH]c1C(=O)N1C[C@@H](N=c2cc[nH]c(C#N)n2)C[C@H]1C 1069183727 OVXYFCCSQTWGOQ-SCZZXKLOSA-N 312.337 -0.088 30 20 DBED C#CCCN1CCn2ncc(CNC(=O)c3cnnn3C)c2C1 1069859294 OIOHNYZQOAAYIV-UHFFFAOYSA-N 313.365 -0.220 30 20 DBED CN1CC[C@H](CC(=O)N2C[C@H](n3ccnn3)[C@H](NCC#N)C2)C1 1070310308 UXBVAUUPPOZVGH-MCIONIFRSA-N 317.397 -0.515 30 20 DBED C=C(C)CN[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)C[C@@H]1n1ccnn1 1070314437 LTLKHVHVDGBCKU-XQQFMLRXSA-N 318.381 -0.526 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CCCN(C(=O)c2cnn(C)c2N)C1 1070644900 PKAYKQWVVCNDCP-VHSXEESVSA-N 304.354 -0.117 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)[C@@H]4COC(=O)N4)C[C@@]3(C1)O2 1070794126 YWPASSJBXDNPTM-MCYUEQNJSA-N 305.334 -0.970 30 20 DBED CC[C@@H](C(N)=O)N1CCNC(=O)CCN(C(=O)[C@H](C)C#N)CC1 1070948525 PYXORUQKZBVUDM-NEPJUHHUSA-N 323.397 -0.940 30 20 DBED C[C@@H]1OCC[C@@]1(C)C(=O)N1CCC(=O)NCCN(CC#N)CC1 1070983711 BLBUKLNWXMTIKX-XJKSGUPXSA-N 322.409 -0.024 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)[C@@H]2[C@H]3COC[C@H]32)CC1 1070987009 NGTVBGUBAIXJLA-NHAGDIPZSA-N 307.394 -0.285 30 20 DBED COC[C@@H](C)C(=O)N1CCN(C2CN(C(=O)[C@H](C)C#N)C2)CC1 1073553430 XNOFZKLDWUFULT-CHWSQXEVSA-N 322.409 -0.216 30 20 DBED C#CCCN1CCCO[C@H](CNC(=O)c2ccc(C(N)=O)[nH]2)C1 1073766638 KGJYRFVTDWLRKV-GFCCVEGCSA-N 318.377 -0.042 30 20 DBED C=CCCOCC(=O)N1CC[C@H](NC(=O)CC(N)=O)[C@H](C)C1 1073845601 FGJPQJGIKOUSLU-NEPJUHHUSA-N 311.382 -0.192 30 20 DBED C=CCN1CCO[C@H]2CCN(C(=O)C3CC(=O)NC(=O)C3)C[C@@H]21 1074357357 ZCWNPMGRDGJGLV-STQMWFEESA-N 321.377 -0.473 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)c3cn(C)c(=O)n3C)C[C@@H]21 1074415173 LWLBNMMMOOTNGO-JSGCOSHPSA-N 318.377 -0.728 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(O)(CNC(=O)CCN(C)C)CC1 1074704828 IZFQWZCJUKRXMZ-LBPRGKRZSA-N 310.398 -0.433 30 20 DBED C[C@@H](CCNC(=O)[C@H](C)C#N)NC(=O)CN(C)S(C)(=O)=O 1078135125 QSMFDXQCYXBACC-ZJUUUORDSA-N 318.399 -0.952 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)c2cccc(C(N)=O)n2)C1 1078246977 ANRJREAVNNKKDG-CHWSQXEVSA-N 304.350 -0.469 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)c2c(OC)ncnc2OC)C1 1078273388 OLENQAMPOKBPAA-GHMZBOCLSA-N 322.365 -0.155 30 20 DBED C=C[C@](C)(O)CC(=O)N(CC)C1CN(C(=O)CNC(C)=O)C1 1079684612 MNLYVDOQYQGWHV-HNNXBMFYSA-N 311.382 -0.491 30 20 DBED C=CCOCC(=O)N1C[C@H](CNC(=O)c2cc(C)no2)[C@@H](O)C1 1081256597 NPNWYUWKRCNSSX-RYUDHWBXSA-N 323.349 -0.265 30 20 DBED N#CCSCC(=O)NC[C@@H]1CN(C(=O)c2ccon2)C[C@@H]1O 1081285766 CHNDRTUUGNIKBY-KOLCDFICSA-N 324.362 -0.520 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)CCn2cncn2)C[C@H]1O 1081333837 YHOPIKKZTRDGLK-CHWSQXEVSA-N 321.381 -0.430 30 20 DBED C=CCCC(=O)N1C[C@H](CNC(=O)c2cnn(C)c2N)[C@@H](O)C1 1081425078 NFTLOYNISKRVTI-JQWIXIFHSA-N 321.381 -0.482 30 20 DBED C#CCOCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2(C)CC2)C1 1081545116 NANVYNCFOAIUDR-QWHCGFSZSA-N 308.378 -0.238 30 20 DBED C#CCCCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2cnn[nH]2)C1 1081589197 BRVMAZUTRFHGNU-DGCLKSJQSA-N 319.365 -0.453 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@H]2CN3CC4CC3(CO2)C4)[C@H](OC)C1 1081959609 PCNFWNLPBWLPFS-VXSWHIBVSA-N 319.405 -0.702 30 20 DBED C#CCN[C@@H]1CN(C(=O)C[C@]2(C)CCS(=O)(=O)N2)C[C@H]1C 1082884540 YZJAJMGULMJVKD-BZPMIXESSA-N 313.423 -0.472 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CN1CCCCC1=O 1083129295 DCNUJVHKXJECJR-LSDHHAIUSA-N 319.405 -0.066 30 20 DBED CC(C)OCCC(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@@H]1O 1091076934 KGOXOBVZCIHXRY-OLZOCXBDSA-N 319.365 -0.171 30 20 DBED CC(=O)NCC(=O)NC[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1C 1092317051 VKSCNHGTLHBCMB-ZYHUDNBSSA-N 316.365 -0.327 30 20 DBED N#Cc1cnc(NCCNC(=O)COC[C@@H]2CCOC2)cn1 1093866734 KKCKMYIRYKCGDO-LLVKDONJSA-N 305.338 -0.071 30 20 DBED N#Cc1nc(=NCCNC(=O)C2CCC(C(N)=O)CC2)cc[nH]1 1094240344 KWDMIJIBVIZWPN-UHFFFAOYSA-N 316.365 -0.410 30 20 DBED Cc1ccnc(C(=O)NCc2cn(C3CN(CC#N)C3)nn2)n1 1094287866 SPUZHZJRTVNDEX-UHFFFAOYSA-N 312.337 -0.313 30 20 DBED C#CCN1CC(n2cc(CNC(=O)C34CCN(CC3)C4)nn2)C1 1094335359 CZBRUBJJUQJTLB-UHFFFAOYSA-N 314.393 -0.520 30 20 DBED Cn1cc(CCC(=O)NCCCN=c2cc[nH]c(C#N)n2)nn1 1094484229 WESYPASBTOXZLS-UHFFFAOYSA-N 314.353 -0.550 30 20 DBED CC(=O)N[C@H](C)C(=O)N1CC[C@@H](Nc2cncc(C#N)n2)C1 1095010377 VLTVMQFTDCGMOJ-MWLCHTKSSA-N 302.338 -0.114 30 20 DBED C[C@H](NC(N)=O)C(=O)N1CCC[C@H](N=c2cc[nH]cc2C#N)C1 1095290243 CCPHXMQIURXMFI-JQWIXIFHSA-N 316.365 -0.165 30 20 DBED C=CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN1CCC(=O)NC1=O 1096293925 WFTSPOUCLNXDOF-WOPDTQHZSA-N 306.366 -0.164 30 20 DBED N#Cc1cncc(N2CC[C@@H](NC(=O)CCc3cnn[nH]3)C2)n1 1096487947 CNIVZLBHWJNSNK-LLVKDONJSA-N 312.337 -0.206 30 20 DBED CS(=O)(=O)CC(=O)NC[C@@H](Nc1nccnc1C#N)C1CC1 1096612393 ZQYXPJJJAAZJEN-LLVKDONJSA-N 323.378 -0.300 30 20 DBED C[C@H](CNC(=O)C[C@H]1CCC(=O)N1)Nc1cnc(C#N)cn1 1097950445 OXNMUQJOLQFTPK-NXEZZACHSA-N 302.338 -0.066 30 20 DBED C#CCCNCc1cn([C@@H]2CCN(C(=O)CC(=O)NC)C2)nn1 1098664565 PHKIQYZKUVOMMM-CYBMUJFWSA-N 318.381 -0.700 30 20 DBED NC(=O)CN1C[C@@H](NC(=O)C#CC2CC2)CC2(CCOCC2)C1 1099580899 FWUYPGSBCQWSOC-AWEZNQCLSA-N 319.405 -0.128 30 20 DBED Cn1ccnc1CN1CC[C@@H](NC(=O)CSCC#N)[C@@H](O)C1 1099690527 PUVCGTDYKAECSL-NEPJUHHUSA-N 323.422 -0.272 30 20 DBED Cn1ncnc1CN1CC[C@H](NC(=O)CSCC#N)[C@H](O)C1 1099692810 HPTGZSNVPLGNTB-WDEREUQCSA-N 324.410 -0.877 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)c2cocn2)[C@H](O)C1 1099739229 YWYRTSPNSNOCMK-ZYHUDNBSSA-N 308.338 -0.858 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2c(C)cnn2C)[C@@H](O)C1 1099946931 NPWZJMQIHFRHAN-KBPBESRZSA-N 320.393 -0.457 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CCc2cnn(C)n2)[C@@H](O)C1 1100009230 VCEBLBYOAIWEFG-KGLIPLIRSA-N 305.382 -0.678 30 20 DBED C#CCN1CC[C@H](NC(=O)CCOC2CCOCC2)[C@@H](O)C1 1100072433 VOBVKVYZFSYULQ-GJZGRUSLSA-N 310.394 -0.243 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)N[C@@H]1CCN(CC#N)C[C@@H]1O 1100130076 XTEVHCFHBRKBIB-NEPJUHHUSA-N 323.397 -0.675 30 20 DBED N#Cc1cnc(N2CCC[C@H]2CNC(=O)CNC(N)=O)c(F)c1 1100779472 LDZAQRHSIMKFSN-JTQLQIEISA-N 320.328 -0.154 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)CCN(C)CC)C1 1100829927 SIYVCMAULUTGTD-UHFFFAOYSA-N 308.426 -0.438 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CN(C(=O)c3cn[nH]c3)C[C@]2(C)C1 1101136125 JVDHBGYNHASVID-CJNGLKHVSA-N 315.377 -0.447 30 20 DBED C=CCN1CC2(C[C@H](NC(=O)CNC(C)=O)c3nccn32)C1 1101604856 ZWBMWHMHILBFRI-LBPRGKRZSA-N 303.366 -0.223 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CC2(CN(CC(N)=O)C2)n2ccnc21 1101618625 DRRHLQDKIRXGDX-UWVGGRQHSA-N 302.338 -0.900 30 20 DBED CC#CCN1C[C@@H](C)[C@H](CNC(=O)CN2CCN(C)C(=O)C2)C1 1102108394 KOJWCWUZDPVCRP-HUUCEWRRSA-N 320.437 -0.532 30 20 DBED C#CCNC(=O)CC(=O)N(C)[C@@H]1CCN(c2nccc(C)n2)C1 1102693836 ODPRTMYFUUBAFQ-CYBMUJFWSA-N 315.377 -0.038 30 20 DBED CC[C@H](CNC(=O)Cn1ncnn1)Nc1nccnc1C#N 1103207882 NVHBTXGGMXOJGP-SECBINFHSA-N 301.314 -0.658 30 20 DBED C[C@@H](CNC(=O)Cn1cnnc1O)CNc1cncc(C#N)n1 1103958619 VLGRZHPPZQQONI-SECBINFHSA-N 316.325 -0.490 30 20 DBED C[C@@H](CNC(=O)C1CS(=O)(=O)C1)CNc1cncc(C#N)n1 1104096474 KGROKQAQFMDXNM-SECBINFHSA-N 323.378 -0.443 30 20 DBED C[C@@H](CNc1cncc(C#N)n1)N(C)C(=O)Cn1nccn1 1104701961 QHLUZRKNSDPQSX-JTQLQIEISA-N 300.326 -0.101 30 20 DBED C[C@H](CNc1cncc(C#N)n1)N(C)C(=O)C1(C(N)=O)CC1 1104790816 AWGGIHILYQFJBY-SECBINFHSA-N 302.338 -0.127 30 20 DBED CN(C)CCCC(=O)N1CC(n2cc(CNCC#N)nn2)C1 1105315389 KYOZBWCRGNKADJ-UHFFFAOYSA-N 305.386 -0.384 30 20 DBED Cn1cccc1C(=O)NC[C@H](O)CNc1nccnc1C#N 1105755024 OMBZKFSYTMPPRE-SNVBAGLBSA-N 300.322 -0.110 30 20 DBED COCCc1nsc(NC[C@H](O)CNC(=O)[C@@H](C)C#N)n1 1105773142 CTMSNCYTJMDBDC-DTWKUNHWSA-N 313.383 -0.224 30 20 DBED COCCOCC(=O)NC[C@@H](O)CNc1ccc(C#N)nc1 1105774405 RPSSJGHODIVJTR-ZDUSSCGKSA-N 308.338 -0.495 30 20 DBED Cn1oc(C(=O)NC[C@@H](O)CNc2ccc(C#N)nc2)cc1=O 1105795531 COTLKNSXYPWEGR-NSHDSACASA-N 317.305 -0.552 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@H](O)CNc1cnc(C#N)cn1 1105805919 MDIAQGHXZUWLFU-FZMZJTMJSA-N 305.338 -0.436 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H](O)CNC(=O)c1n[nH]cc1F 1106083733 SFCCYVIQTBODLR-VIFPVBQESA-N 304.285 -0.560 30 20 DBED N#Cc1cnc(NC[C@H](O)CNC(=O)C2(C(N)=O)CC2)c(F)c1 1106097993 OHEVPRVOTRRGOD-VIFPVBQESA-N 321.312 -0.753 30 20 DBED Cn1nc(C(=O)NC/C=C/CN=c2cc[nH]cc2C#N)ccc1=O 1107187979 HKAJEVILDSOAEE-NSCUHMNNSA-N 324.344 -0.133 30 20 DBED C=C(C)CN1CC(n2cc(CNC(=O)Cn3cncn3)nn2)C1 1107235011 WWPQVPINXZUFFB-UHFFFAOYSA-N 316.369 -0.381 30 20 DBED CS(=O)(=O)CCC(=O)NC/C=C/CNc1nccnc1C#N 1107576115 IKHMMXSSYCPQKS-NSCUHMNNSA-N 323.378 -0.133 30 20 DBED C=CCOCC(=O)NC[C@]1(C)CN([C@H](C)C(=O)NC)CCO1 1107812736 CYCHDPOBWVSQAG-IUODEOHRSA-N 313.398 -0.469 30 20 DBED C[C@H](CC(=O)N[C@H](C)CNc1cncc(C#N)n1)NC(N)=O 1107950608 PBNPMUWRDOEDMO-RKDXNWHRSA-N 305.342 -0.288 30 20 DBED CCN1CCO[C@@H](C(=O)N[C@@H](C)CNc2cncc(C#N)n2)C1 1108396234 JPIMEHUPDSZPTI-WCQYABFASA-N 318.381 -0.014 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)[C@H](C)N2CCOCC2)C1 1108446784 JCZFCQATNZCGIM-HOCLYGCPSA-N 309.410 -0.453 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)COCCOC)CC2=O)C1 1108528121 UCNAYTDIVVUFLG-LBPRGKRZSA-N 311.382 -0.763 30 20 DBED C#CCCN1CC(N2C[C@@H](NC(=O)[C@@H](OC)C3CC3)CC2=O)C1 1108538507 JENPRSBJFUSZHP-BBRMVZONSA-N 319.405 -0.164 30 20 DBED C#CCCN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1cnnc1O)C2 1108663535 PJTGHNSYNVEWLY-XQQFMLRXSA-N 303.366 -0.024 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1nc[nH]n1)C2 1108780481 CNMXUJBTSGXGKF-SRVKXCTJSA-N 316.365 -0.863 30 20 DBED COC[C@H](O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CSCC#N 1108951619 AWNWSMJHIXBDHD-NDBYEHHHSA-N 313.423 -0.028 30 20 DBED CN(CCCN=c1cc[nH]cc1C#N)C(=O)[C@@H]1COCCN1C 1109410370 YXPLYQLAXBXNLH-HNNXBMFYSA-N 317.393 -0.034 30 20 DBED C=CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CS(=O)(=O)CCOC 1109457310 KWMNYTOXHLRVJB-AGIUHOORSA-N 316.423 -0.045 30 20 DBED N#Cc1nccc(NC2(CNC(=O)[C@@H]3CCNC(=O)C3)CC2)n1 1110120535 JXAHDXQYDOVWLK-SNVBAGLBSA-N 314.349 -0.065 30 20 DBED N#Cc1nccc(NC2(CNC(=O)C3CS(=O)(=O)C3)CC2)n1 1110242726 OZZCMWCVPLDRNN-UHFFFAOYSA-N 321.362 -0.546 30 20 DBED N#Cc1cncc(NC2(CNC(=O)[C@H]3CC[C@H]3C(N)=O)CC2)n1 1110300069 ODSAAZFFERNUMB-MNOVXSKESA-N 314.349 -0.080 30 20 DBED N#Cc1c(F)cccc1N1CC[C@](O)(CNC(=O)C(N)=O)C1 1111124699 RUVCBEYFONLRII-AWEZNQCLSA-N 306.297 -0.760 30 20 DBED Cc1cc(N2CCOC[C@@H]2CNC(=O)[C@@H](C)C#N)nc(CO)n1 1111663133 OSDBMZLVUQDROY-JQWIXIFHSA-N 319.365 -0.242 30 20 DBED N#CCNC(=O)CN1C[C@@H]2CCC[C@]2(NC(=O)c2cnn[nH]2)C1 1111795839 HQQOXHLNVUEESI-HZMBPMFUSA-N 317.353 -0.971 30 20 DBED C[C@H](CNC(=O)CSCC#N)N(C)c1nccn2nnnc12 1113496507 OLDJHRSGSHZWEI-SECBINFHSA-N 320.382 -0.283 30 20 DBED COC[C@@H](OC)C(=O)NC[C@H](C)N(C)c1ccnc(C#N)n1 1113858232 UAWSURLRWCWMMA-WDEREUQCSA-N 307.354 -0.049 30 20 DBED Cc1nc(CN2C[C@@H]3C(NC(=O)CSCC#N)[C@H]3C2)n[nH]1 1113896362 AGVPUJCHNDTYKA-UWVGGRQHSA-N 306.395 -0.084 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3cnns3)[C@H]2C1 1113924552 HIVXKHUDELMFHM-GDGBQDQQSA-N 307.379 -0.500 30 20 DBED CNC(=O)NC(=O)[C@H](C)N1C[C@H]2C(NC(=O)C#CC3CC3)[C@@H]2C1 1114257841 GXKKEMNQIOADFR-MVWJERBFSA-N 318.377 -0.710 30 20 DBED C=C(Cl)CN1C[C@H]2C(NC(=O)CNS(=O)(=O)CC)[C@@H]2C1 1114363263 AHDCCWAWSGSMMD-NXEZZACHSA-N 321.830 -0.275 30 20 DBED C=C(C)CCN1C[C@H]2C(NC(=O)[C@@H](C)NS(C)(=O)=O)[C@@H]2C1 1114888386 GGXISIRSUUSGIE-IJLUTSLNSA-N 315.439 -0.063 30 20 DBED C=CC1CCN(C(=O)C(=O)N2CCO[C@H](C(=O)NC)C2)CC1 1117926190 HHAMYJAJCUHTCN-LBPRGKRZSA-N 309.366 -0.616 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N[C@@H](C)Cn2ccnc2)nn1 1118173923 VTYVNGQGVQBSJJ-NSHDSACASA-N 317.353 -0.518 30 20 DBED CC1CCN(C[C@H](C)NC(=O)C(=O)N2CCO[C@@H](C#N)C2)CC1 1118731481 DIZOWKDVTMWJTC-KBPBESRZSA-N 322.409 -0.026 30 20 DBED C[C@@H](CN(C)C(=O)C1(C(N)=O)CC1)Nc1cnc(C#N)cn1 1120555796 XXEVOJGJDLZWGX-VIFPVBQESA-N 302.338 -0.127 30 20 DBED N#Cc1nccnc1N[C@H](CO)CNC(=O)[C@@H]1CCCOC1 1121196816 CGGUYDKBTMDRNA-MNOVXSKESA-N 305.338 -0.336 30 20 DBED CN1CCOC[C@H]1C(=O)NC[C@H](CO)Nc1ccc(C#N)nc1 1121346070 JTVVMJIUGMYMIL-KGLIPLIRSA-N 319.365 -0.827 30 20 DBED N#Cc1cncc(N[C@H](CO)CNC(=O)CCc2ncc[nH]2)n1 1121498272 VGHMBNFTIQEKTB-NSHDSACASA-N 315.337 -0.407 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H](CO)CNC(=O)CN1CCCC1 1121580934 LZMFIGDOGJHRQN-CYBMUJFWSA-N 303.366 -0.640 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)CCn2cccn2)C1=O 1123718545 JRQRHNGYEYOHLV-ZDUSSCGKSA-N 305.382 -0.234 30 20 DBED CN(C[C@H](O)CNc1ccc(C#N)nc1)C(=O)[C@H]1CCC(=O)N1 1124207017 JBSNYXTWWVVWJT-CHWSQXEVSA-N 317.349 -0.537 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)[C@H](C)COC 1124765285 RSGRSHVCGYRJBQ-GHMZBOCLSA-N 314.386 -0.625 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)c2cc(=O)n(C)o2)C1=O 1126297665 YSDFLZNOUCHXJN-JTQLQIEISA-N 308.338 -0.915 30 20 DBED O=C(C#CC1CC1)NCCNCC(=O)N1CCOC[C@@H]1C1CC1 1126875397 FBKYNGLHNAUGQR-OAHLLOKOSA-N 319.405 -0.257 30 20 DBED N#CCNCc1nnc2n1CC[C@H](NC(=O)[C@H]1CCCO1)CC2 1127951302 WCDYNWNUUDKRLZ-VXGBXAGGSA-N 318.381 -0.109 30 20 DBED C=CCCN[C@@H]1CN(C(=O)[C@H](C)NC(N)=O)C[C@@H]1n1ccnn1 1129782808 PHVXILQFZWGOKG-TUAOUCFPSA-N 321.385 -0.748 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)c2ccnnc2C)C1=O 1130870570 YJTWLUAUWDALIM-ZDUSSCGKSA-N 303.366 -0.109 30 20 DBED C#CCC1(C(=O)N2CCC(=O)NCCN(CCO)CC2)CCC1 1131367286 POPQAFFHQSHLFW-UHFFFAOYSA-N 321.421 -0.177 30 20 DBED C#CCCN1CC[C@@]2(C1)CN(C(=O)CNC(N)=O)C[C@@H](C)O2 1131631892 JITDNBZGNGOXCU-IUODEOHRSA-N 308.382 -0.630 30 20 DBED C#CCN1CC[C@]2(C1)CN(C(=O)CCCC(N)=O)C[C@@H](C)O2 1131704325 VNNRDZWTRABXLZ-CJNGLKHVSA-N 307.394 -0.033 30 20 DBED C=CCNC(=O)CNCCNC(=O)CCCn1ccccc1=O 1132379536 MZZBYNJQAJTMOU-UHFFFAOYSA-N 320.393 -0.364 30 20 DBED C[C@H]1CCN(C(=O)CCN(C)C)C[C@H]1CNCC(=O)NCC#N 1133091604 SQFUSXODRSQXCO-UONOGXRCSA-N 323.441 -0.348 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)Cn2c(O)nnc2O)CC[C@H]1C 1133271091 NHMSWVFRFVXQSX-VXGBXAGGSA-N 321.381 -0.213 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)[C@]1(C)CCC(=O)N1 1133479452 YCXWBJWJKRMPHB-INIZCTEOSA-N 322.409 -0.439 30 20 DBED C#Cc1cncc(C(=O)NCCNCC(=O)NC(=O)NCC)c1 1133593103 ODJDMPUBDMQRPI-UHFFFAOYSA-N 317.349 -0.772 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCCNCc1nnc2n1CCOC2 1134062056 PMCLPSLTTAFXHB-NEPJUHHUSA-N 321.381 -0.395 30 20 DBED CC(C)N1CCCC[C@@H]1C(=O)NCCNCC(=O)NCC#N 1134759339 MNBGVGVCBIWJAT-CYBMUJFWSA-N 309.414 -0.405 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)COCc1ccncc1 1135752982 VSZIMGDBRRKWOB-ZDUSSCGKSA-N 320.393 -0.005 30 20 DBED CN(C)C(=O)CN1CCC2(C1)CN(C(=O)CSCC#N)C2 1147031195 IZEOTJLKXCVABP-UHFFFAOYSA-N 310.423 -0.134 30 20 DBED N#CCNC(=O)CN1CCCO[C@@H](CNC(=O)c2cc[nH]c2)C1 1149754020 YUWWQSXWXFMFQE-ZDUSSCGKSA-N 319.365 -0.525 30 20 DBED C#CCOCCC(=O)NC[C@@H](C)N(CC)C[C@H](O)COC 1153302838 TYXABAQXHCEPAV-KGLIPLIRSA-N 300.399 -0.140 30 20 DBED CCN(CC#CCOC)[C@H](C)CNC(=O)CN1C(=O)CCC1=O 1156802706 JLDMCPNINPLDAJ-CYBMUJFWSA-N 323.393 -0.388 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCCNC[C@H](O)COCCOC 1157201931 NNBATSKIIOHBRK-DZGCQCFKSA-N 318.414 -0.567 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)[C@@H]1CCN(C)C1=O 1164295393 NNGCXYDUWBNNGO-RYUDHWBXSA-N 310.398 -0.749 30 20 DBED C[C@@H]1OCC[C@H]1C(=O)NCCC1(CNCC(=O)NCC#N)CC1 1167535411 KNWDECLKKPPXKF-QWHCGFSZSA-N 322.409 -0.073 30 20 DBED N#CCNC(=O)CNCCCNC(=O)COCc1ccncc1 1169222395 RNOAXHSJBSODRX-UHFFFAOYSA-N 319.365 -0.666 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCCCN[C@H](C)C(N)=O 1170310803 NNYJDZIDMNASRE-NWDGAFQWSA-N 310.398 -0.736 30 20 DBED Cc1nn(C)c(F)c1C(=O)NCCCNCC(=O)NCC#N 1174866445 IFMNMPBFYKIGJV-UHFFFAOYSA-N 310.333 -0.783 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)CNC(=O)OC)[C@H]1C 1178215893 FLJNENMKTGBTHB-WOPDTQHZSA-N 324.381 -0.941 30 20 DBED C#CCNC(=O)CNCCCCCCNC(=O)[C@@H]1CCN(C)C1 1180259487 IOJMKXOGWOARQQ-OAHLLOKOSA-N 322.453 -0.046 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@]1(C)CN(C(=O)COC)C[C@H]1C 1180344081 IUJMXBICAODKBV-DVOMOZLQSA-N 309.410 -0.155 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2cc(C)n(C)n2)C1 1181309339 CJOYKDOHFFNDNM-QWHCGFSZSA-N 317.393 -0.329 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)Cn2cc(C)cn2)C1 1181325784 NBABXCCQBMZBFR-ZIAGYGMSSA-N 317.393 -0.480 30 20 DBED C=CCNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2C)C1 1184875926 AMTBUCVFCFGTJL-IJLUTSLNSA-N 308.382 -0.155 30 20 DBED C=CCCn1cc(C(=O)N2CC[C@@H](NCC(=O)NC)C2)nn1 1186221101 GLIHYEMXCREUGI-LLVKDONJSA-N 306.370 -0.596 30 20 DBED CO[C@@H](C(=O)N1CC[C@H]2CN(CC(=O)NCC#N)C[C@H]21)C1CC1 1187715009 YIIACOACWYDKOH-GZBFAFLISA-N 320.393 -0.416 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC[C@H]2CN(CC(=O)NCC#N)C[C@H]21 1187755570 OTZKFDOXYSFEBP-ZENOOKHLSA-N 320.393 -0.514 30 20 DBED N#CCNC(=O)CN1C[C@@H]2CCN(C(=O)CC3(O)CCC3)[C@@H]2C1 1187811980 GVJPSNHRWIENHB-QWHCGFSZSA-N 320.393 -0.536 30 20 DBED CN(CC(=O)NCC#N)[C@H]1CCN(C(=O)Cc2ccon2)C1 1189472442 TVBJDPVWHRJFBV-LBPRGKRZSA-N 305.338 -0.610 30 20 DBED CN(CC(=O)NCC#N)[C@@H]1CCN(C(=O)c2cncnc2)C1 1189760314 JLOFRQRFWVNTPO-GFCCVEGCSA-N 302.338 -0.737 30 20 DBED C=CCOCC(=O)N[C@@H]1CN([C@@H](C)c2nnc(C)o2)C[C@H]1O 1191777070 FLXQXUSSBGTGHC-MVWJERBFSA-N 310.354 -0.197 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2cc[nH]c2C)C1 1192079258 XFDMITHQLBQERT-CHWSQXEVSA-N 306.366 -0.600 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)c2cc(C)ncn2)C1 1192230863 ULUCOZVYUGJGLM-ZIAGYGMSSA-N 304.350 -0.790 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)[C@H](C)c2ccnn2C)C1 1193069056 XZMGVJNFTMMJDF-UMVBOHGHSA-N 320.393 -0.665 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)CN(C)C(C)C)C1 1194285953 VLWBTOGKSBIVNE-AWEZNQCLSA-N 308.426 -0.391 30 20 DBED C#CCNC(=O)[C@H](C)N1CCCN(C(=O)c2cocn2)CC1 1195246230 TXDVUXXFXGJBOE-LBPRGKRZSA-N 304.350 -0.040 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)c2ocnc2C2CC2)C1 1196152500 VGOSGXMXFWRBND-CHWSQXEVSA-N 319.361 -0.023 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2c(C)n[nH]c2C)C1 1196969740 OGHMIYQHMUUCIR-VXGBXAGGSA-N 321.381 -0.896 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H](CC)CC(C)C)C1 1197574808 GWOGQWHHKAOTHV-RRFJBIMHSA-N 323.437 -0.031 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)CNC(=O)c2cccs2)C1 1198352146 CLUQOKACDAYQHL-NXEZZACHSA-N 308.363 -0.837 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]cc2C)C1 1198661605 HQNPJLKCVRTNEX-IACUBPJLSA-N 320.393 -0.211 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)C(C)(C)NC(=O)NCCC)C1 1199042966 MVKVUWBLDVBRGX-VXGBXAGGSA-N 312.414 -0.179 30 20 DBED CC(C)C#CC(=O)N1CCCO[C@H](CN[C@@H]2CCNC2=O)C1 1200461057 FFELKHABSIOZLQ-ZIAGYGMSSA-N 307.394 -0.259 30 20 DBED CC(=O)N1CCC[C@@H](C(=O)N2CCCO[C@H](CNCC#N)C2)C1 1200913373 YDAUHBUQTDKFQX-HUUCEWRRSA-N 322.409 -0.024 30 20 DBED C=C(C)CCNC1CCN(C(=O)CNS(=O)(=O)NC)CC1 1201827993 BMXFBRGTJLGFIC-UHFFFAOYSA-N 318.443 -0.413 30 20 DBED C#Cc1ccc(C(=O)N2CCCO[C@@H](CNCC(N)=O)C2)cn1 1201892480 XSXRHUJRDOTNAM-AWEZNQCLSA-N 316.361 -0.631 30 20 DBED CCN(CCC#N)C(=O)CN[C@@H]1CCCN(C(=O)CC(N)=O)C1 1207724661 BWXHRXQSMBPVAN-GFCCVEGCSA-N 323.397 -0.795 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCCN(C(=O)C(C)(C)C(N)=O)C1 1208373318 IBNPXZALTNIYCF-NEPJUHHUSA-N 322.409 -0.784 30 20 DBED CCN(CC)CC(=O)N1CCC[C@H](NCC(=O)NCC#N)C1 1210217504 JJLNTEJEJWQMQP-ZDUSSCGKSA-N 309.414 -0.451 30 20 DBED CC[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1OC 1213460279 JYJQMWODKYUCGP-FDYHWXHSSA-N 308.382 -0.512 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)COCCC=C)[C@H](OC)C1 1213959416 IQDWZLSZTLBRDF-ZIAGYGMSSA-N 323.393 -0.856 30 20 DBED C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1NCC(=O)NC(N)=O 1214464379 WOSPXTODEYGOQA-LDYMZIIASA-N 318.337 -0.869 30 20 DBED C[C@@]1(CCC(=O)N2CCO[C@@H]3CN(CC#N)C[C@@H]32)CCC(=O)N1 1219077482 YZCVQKUODPSJQM-ZENOOKHLSA-N 320.393 -0.130 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H](CC)SC)C1 1219472908 SQNCSISNJKATDG-GRYCIOLGSA-N 315.439 -0.409 30 20 DBED CCCC[C@H](C(N)=O)N1C[C@H](O)[C@H](NC(=O)C#CC(C)C)C1 1219587819 XMTWTZQDSFAWIP-MCIONIFRSA-N 309.410 -0.149 30 20 DBED N#CCNC(=O)CN1CC[C@@H]2CN(C(=O)[C@H]3CCCCO3)[C@@H]2C1 1221480543 OBEIMWFQQZCVMZ-MGPQQGTHSA-N 320.393 -0.272 30 20 DBED CCS(=O)(=O)N(C)CC(=O)N1C[C@H]2CCN(CC#N)C[C@H]21 1221908624 HQIUULAZIYOHIE-VXGBXAGGSA-N 314.411 -0.676 30 20 DBED C=CCO[C@H](C)C(=O)N1CCC[C@H](NCC(=O)NC(N)=O)C1 1222068486 VHMUSHISRYDQRQ-MNOVXSKESA-N 312.370 -0.647 30 20 DBED Cc1nc[nH]c1C(=O)N1CCC[C@H](NCC(=O)NCC#N)C1 1222141488 AHXGSOFWHHTYEX-NSHDSACASA-N 304.354 -0.448 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)[C@@H]2CCCOC2)CC1 1222578651 CSJNYLRSXFWPMT-OAHLLOKOSA-N 321.421 -0.009 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC(NC(=O)c2nc[nH]n2)CC1 1229655373 IEFGSYWSGASIOA-JTQLQIEISA-N 304.354 -0.863 30 20 DBED C=CCO[C@@H](C)C(=O)NC1CCN(Cc2nnn(C)n2)CC1 1230407487 RPCTYLNOURJULX-NSHDSACASA-N 308.386 -0.118 30 20 DBED CN(C[C@@H]1CCN1CC(=O)NCC#N)C(=O)c1cccn1C 1230762362 NBNKVOBKTVNWLQ-LBPRGKRZSA-N 303.366 -0.189 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C[C@@H](O)COC 1235453891 HUOLHMNRGNGFAK-OAGGEKHMSA-N 323.437 -0.376 30 20 DBED N#CCCCCNC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 1252301298 GXLQPJJRGCPYAZ-FPQZTECRSA-N 305.334 -0.041 30 20 DBED C=CCSCCNC(=O)C(=O)NCCNS(=O)(=O)CC 1257454704 UERCWNSWMMSQCI-UHFFFAOYSA-N 323.440 -0.923 30 20 DBED C#CCC[C@H](O)CNS(=O)(=O)c1cc(C(=O)OC)no1 1261794060 CVWDZTHRFVKRGP-QMMMGPOBSA-N 302.308 -0.486 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@H](NC(=O)C[C@H]2CCOC2)C1 1281875557 JJOUXYWPTFPZGX-MCIONIFRSA-N 308.378 -0.240 30 20 DBED COC[C@](C)(C#N)NC(=O)Cc1ccc(S(N)(=O)=O)s1 1319306918 ZHGPCZVIRPATSN-NSHDSACASA-N 317.392 -0.017 30 20 DBED N#CCNC(=O)CNC(=O)c1c[nH]n2c1nc(=O)c1ccccc12 1323523694 SWEDIFKWECNRNQ-UHFFFAOYSA-N 324.300 -0.455 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)NCCC(=O)N1CCCCC1 1323781909 PZRXNZSOPGMYBD-LBPRGKRZSA-N 311.382 -0.178 30 20 DBED Cc1c(CNC(=O)C(=O)N2CC[C@](O)(CC#N)C2)cnn1C 1326410191 NWHKQPYQWGIVKF-CQSZACIVSA-N 305.338 -0.778 30 20 DBED C[C@@H]1[C@H](CO)CCCN1C(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1326545592 RGLLBHAGELGAKD-XUJVJEKNSA-N 309.366 -0.517 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N1CC[C@@H](CC(N)=O)C1 1329118014 BYHGVEXMCUSMJE-JTQLQIEISA-N 303.384 -0.506 30 20 DBED C#CCNC(=O)C1CCN(C(=O)C(=O)N[C@H](C)C[C@H](C)N)CC1 1329470706 SGOFEFRHYAZPCC-NWDGAFQWSA-N 322.409 -0.784 30 20 DBED N#CCCC[C@@H](N)C(=O)NCCCN1CCCS1(=O)=O 1330576511 BEUIJBIDMNDECU-LLVKDONJSA-N 302.400 -0.451 30 20 DBED C#C[C@@H](NC(=O)C(=O)N[C@H]1C[C@H](C(=O)OC)C1)[C@@H]1CCCO1 1330755285 LEGBABMPTFDGEZ-KKOKHZNYSA-N 308.334 -0.649 30 20 DBED N#CCC1CCN(C(=O)C(=O)NCCN2CCCC2=O)CC1 1332828912 BKUHSXCTQZNPDX-UHFFFAOYSA-N 306.366 -0.123 30 20 DBED N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)C(=O)N1CCNC(=O)C1 1346782250 AAMRZNNSCFNPFO-ZDUSSCGKSA-N 312.329 -0.380 30 20 DBED CN(CCOCCN)C(=O)C(=O)N1CCc2ccc(C#N)cc21 1348296114 CFUDJCJQZQTUMS-UHFFFAOYSA-N 316.361 -0.119 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CC[C@@H](N)[C@H](CC)C2)nn1 1348950028 AMCYGTQNYHHTLV-DGCLKSJQSA-N 320.397 -0.334 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC(O)(c2nccn2C)C1 1349048045 VNBPVOFXGFLAOL-GFCCVEGCSA-N 306.366 -0.079 30 20 DBED C=CCCN(C)C(=O)C(=O)N[C@H]1CCN(C2CCOCC2)C1=O 1349083133 RWRIMRDKOBZHCM-ZDUSSCGKSA-N 323.393 -0.083 30 20 DBED N#Cc1cn(CC(=O)N2CCOCC(F)(F)C2)c(=O)nc1O 1363185520 UZLOLNMMKLSCDP-UHFFFAOYSA-N 314.248 -0.685 30 20 DBED C[C@H](CNC(=O)[C@H]1CC(=O)N(C)C1)NC(=O)c1cc(C#N)c[nH]1 1386308183 NEKCWUFABPGKJF-KOLCDFICSA-N 317.349 -0.401 30 20 DBED COCCn1ccc(C(=O)N2CC(NC(=O)[C@H](C)C#N)C2)n1 1387801222 PCFNVBGOMXAXSA-SNVBAGLBSA-N 305.338 -0.370 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(CCN(C)C(=O)c2cnn[nH]2)CC1 1388811092 MPULKSIPMKIYMN-NSHDSACASA-N 319.369 -0.819 30 20 DBED CCN1CC[C@@H](NC[C@H](O)CNC(=O)c2cc(C#N)c[nH]2)C1=O 1401504929 LNXCBCUKQXHUAF-NWDGAFQWSA-N 319.365 -0.813 30 20 DBED COCCN(CCNC(=O)[C@H](C)C#N)C(=O)[C@H]1CCC(=O)NC1 1413513380 FKTNLJRSUGZCNK-NEPJUHHUSA-N 324.381 -0.737 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1cccc2c[nH]nc12 1416779305 RFRNGDSDLTWZNH-GXSJLCMTSA-N 315.333 -0.071 30 20 DBED COCCN(Cc1ccc(C#N)cc1)C(=O)[C@H](CO)NC(N)=O 1417632326 PZTMGMIJANSLNU-ZDUSSCGKSA-N 320.349 -0.438 30 20 DBED COCCN(CCNC(=O)[C@@H](C)C#N)C(=O)[C@H]1COCCO1 1426071927 PCKVCQDDVPRBMZ-NWDGAFQWSA-N 313.354 -0.847 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CNC(=O)Cc2nc[nH]n2)CC1 1429720218 CWLUDFCFVVJXNX-JTQLQIEISA-N 304.354 -0.138 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)COCc1ccncc1 1431576796 UBEVHBVIZXGWJB-AAEUAGOBSA-N 320.349 -0.649 30 20 DBED Cn1c(=O)[nH]c(N[C@@H](CC(N)=O)c2ccccc2)c(C#N)c1=O 1434444256 KYSPQGWFDHSIBJ-NSHDSACASA-N 313.317 -0.026 30 20 DBED Cn1nc(S(C)(=O)=O)c2c(=O)n(CC3(C#N)CC3)cnc21 1434455823 PGOKPLYWENQUGQ-UHFFFAOYSA-N 307.335 -0.163 30 20 DBED C[C@@H](C#N)C(=O)NCC1CCN(C(=O)CN2CCOCC2)CC1 1446803007 YOJOPYPQEDHJFV-ZDUSSCGKSA-N 322.409 -0.167 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCCN(C)CC(=O)NC(=O)NC1CC1 1447328294 QUQOERXADFCXEA-NSHDSACASA-N 323.397 -0.085 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1cc(Cl)no1 1452402341 CEBUAHJPCRTZFB-RQJHMYQMSA-N 300.702 -0.305 30 20 DBED CCCN(CCNC(=O)C1CN(C(C)=O)C1)C(=O)[C@H](C)C#N 1455789723 DWLPRUAJKZWOAB-LLVKDONJSA-N 308.382 -0.021 30 20 DBED CC[C@H](C)NC(=O)[C@@H](C)NS(=O)(=O)N1CCO[C@@H](C#N)C1 1464513332 QMXPJQOGDFHQAV-AXFHLTTASA-N 318.399 -0.652 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NCC(=O)NC(=O)NC2CC2)CCC1 1484627433 BCDLNSKKQTWKTC-JTQLQIEISA-N 321.381 -0.237 30 20 DBED CC(C)S(=O)(=O)CC(=O)N(C)C[C@H](C)NC(=O)[C@H](C)C#N 1487786547 PVULHRUDKSQEIR-MNOVXSKESA-N 317.411 -0.068 30 20 DBED CCN(C)C(=O)CN1CCN(CCN(C)C(=O)[C@H](C)C#N)CC1 1494090179 BXKNAMVRJHSWFH-CQSZACIVSA-N 323.441 -0.300 30 20 DBED CN(C(=O)CNC[C@H](O)CNC(=O)c1cc(C#N)c[nH]1)C1CC1 1496960179 HVBNDBHIXSABKH-LBPRGKRZSA-N 319.365 -0.813 30 20 DBED C=CCN(C(=O)CN1C(=O)CCC1=O)[C@@H]1CCS(=O)(=O)C1 1520702916 JUOCHPRCTPFGNH-SNVBAGLBSA-N 314.363 -0.663 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](Nc2cncc(-c3nn[nH]n3)n2)C1 1573565971 XVCKMBAEVJRQNH-DTWKUNHWSA-N 313.325 -0.171 30 20 DBED N#Cc1ncc(NCCC2(O)CCOCC2)nc1-c1nn[nH]n1 1581884044 IFYBAYDRDUBDMD-UHFFFAOYSA-N 316.325 -0.128 30 20 DBED C=CC[C@@H](OC(=O)CN1CCC[C@@H](C(=O)O)C1=O)C(=O)OC 1588753089 AABVXRJRZNPCKI-NXEZZACHSA-N 313.306 -0.030 30 20 DBED C=C[C@H](CO)NC(=O)C(=O)Nc1ccc(OC)cc1C(=O)O 1588919740 KUUSOPQWHCJYNQ-MRVPVSSYSA-N 308.290 -0.005 30 20 DBED CC[C@@H](O)CNN=C1C(=O)Nc2cc(-c3nn[nH]n3)ccc21 1590476037 DGTGEYSFTDAWJN-MRVPVSSYSA-N 301.310 -0.117 30 20 DBED Cc1nnc(CCNc2cnc(C#N)c(-c3nn[nH]n3)n2)n1C 1592441596 UMNQWUAEPIKFJH-UHFFFAOYSA-N 311.313 -0.380 30 20 DBED N#Cc1nc(N2CCC[C@@H](CC(N)=O)C2)cnc1-c1nn[nH]n1 1592704675 LZGKGHMTGJGNLT-QMMMGPOBSA-N 313.325 -0.380 30 20 DBED COCCN(CCC#N)S(=O)(=O)NC1(CC(=O)O)CC1 1599235763 ORJXOIHUVIPARP-UHFFFAOYSA-N 305.356 -0.310 30 20 DBED N#Cc1ccsc1C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)O 1601129506 HPNVAUOTMHYFDS-QMMMGPOBSA-N 314.344 -0.056 30 20 DBED C#CCNC(=O)[C@@H](C)OC(=O)c1cc(-c2nn[nH]n2)[nH]c1C 1602722376 OVDGTAAZTXJKRA-MRVPVSSYSA-N 302.294 -0.202 30 20 DBED CCCNC(=O)[C@H](C)Nc1cnc(-c2nn[nH]n2)c(C#N)n1 1604219260 FPZOQINEUUYXCI-ZETCQYMHSA-N 301.314 -0.145 30 20 DBED C[C@H]1CN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)CC[C@H]1C(=O)O 1607466228 DAYZONUBHUCKDQ-RWSFTLGLSA-N 323.349 -0.567 30 20 DBED N#Cc1ccc(C(=O)N2CC(CNC(=O)[C@H]3C[C@@H]3C(=O)O)C2)[nH]1 1608198900 IROVJAPSOPKTBZ-QWRGUYRKSA-N 316.317 -0.205 30 20 DBED N#Cc1ccc(NCCNC(=O)NCCOCC(=O)O)nc1 1608208496 BSNNEBIMHNUFLE-UHFFFAOYSA-N 307.310 -0.234 30 20 DBED CN(CC(=O)Nc1cnn(CC#N)c1)[C@H]1CCS(=O)(=O)C1 1645725648 YRCXEYVADAMVFC-NSHDSACASA-N 311.367 -0.536 30 20 DBED C[C@@H](NCC#N)[C@H]1CCCCN1C(=O)Cn1ccc(O)nc1=O 1752142457 JGNCHPSAOKLJDQ-VXGBXAGGSA-N 319.365 -0.168 30 20 DBED C#CCNC(=O)CN1CCC(N(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1752299946 PZBISMCYMMKWGM-CHWSQXEVSA-N 322.365 -0.676 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@@H](NC(=O)[C@@H]2CCC[C@@H]2OC)C1 1752737258 KUWXONPLWIKBOC-RQJABVFESA-N 307.394 -0.212 30 20 DBED C#CCNC(=O)CN(C)CCNC(=O)C[C@H](OC)C(F)(F)F 1753069633 MWMHULFFNIBAPP-JTQLQIEISA-N 323.315 -0.249 30 20 DBED C#CCN(C(=O)CCN1CCCC1=O)C1CCN(CCO)CC1 1754643382 WOUGYHUGZNMWNE-UHFFFAOYSA-N 321.421 -0.083 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@](C)(NC(=O)c2nc[nH]n2)C1 1754681117 AQGZPMJULDKDTQ-HZMBPMFUSA-N 304.354 -0.863 30 20 DBED C=C(C)CN1CC(O)(CNC(=O)CCS(=O)(=O)N(C)C)C1 1754779477 OSCIQNCJDBGPPA-UHFFFAOYSA-N 319.427 -0.993 30 20 DBED C#CCNC[C@H]1CN(C(=O)CN2C(=O)CN(C)C2=O)C[C@H]1C 1754827157 MYKVEQFTJPOJQE-NEPJUHHUSA-N 306.366 -0.802 30 20 DBED COCC#CCN1CC2(C1)CN(C(=O)c1ncccn1)CCO2 1755060343 AKOMTLAWHPIJAV-UHFFFAOYSA-N 316.361 -0.347 30 20 DBED C#CCNC(=O)CN[C@@]1(CO)CCCN(C(=O)/C(C)=C\C)C1 1755084825 UKFDEEMWNRXANS-VGEAAAHDSA-N 307.394 -0.355 30 20 DBED C=CCN[C@H](CO)CNC(=O)[C@@H]1CNC(=O)c2ccccc21 1755630998 VJUSOTZLDCAXOK-SMDDNHRTSA-N 303.362 -0.234 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H](CO)CNC(=O)C1CCC(=C)CC1 1755637747 GIBUSRYICYRFKF-DZGCQCFKSA-N 321.421 -0.063 30 20 DBED C#CCN1CCC[C@@H](NC(=O)CN(C)S(=O)(=O)CC)[C@H]1C 1755722982 UIJKBLCHAFOQOS-CHWSQXEVSA-N 315.439 -0.130 30 20 DBED C#CCNC[C@@H](O)CN(C)C(=O)Cc1n[nH]c2c1CCCC2 1755779751 QADWZLLYXCEZEX-GFCCVEGCSA-N 304.394 -0.127 30 20 DBED C=CCCNC[C@@H](O)CN(C)C(=O)c1ccnc2[nH]nnc12 1755783506 SWACOUUFSLMGMM-SNVBAGLBSA-N 304.354 -0.049 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H](C)N(C)C(=O)Cn1cccn1 1756026759 KPOIKJSHDHANHG-STQMWFEESA-N 306.366 -0.116 30 20 DBED C#CCOCCC(=O)NC1(CCO)CN(C(=O)C(C)(F)F)C1 1756082384 ZZXBDUSDTYUENQ-UHFFFAOYSA-N 318.320 -0.239 30 20 DBED C[C@H](CN(C)C(=O)c1ccc(C#N)[nH]1)NC(=O)CC(=O)N(C)C 1756445743 SXWPNNUPMNBWCO-SNVBAGLBSA-N 319.365 -0.059 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC#N)C2 1793342654 YJOROODXPRIGRG-GUIRCDHDSA-N 319.361 -0.472 30 20 DBED C[C@]1(C(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)CCCN1 1845120939 IBHOWJHXSASSFN-OAHLLOKOSA-N 319.361 -0.580 30 20 DBED C=CCC(=O)N1CCCC12CN(C(=O)CN1CC(=O)NC1=O)C2 1846375722 PHZUFNRAMBLWMB-UHFFFAOYSA-N 320.349 -0.682 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](CN)CCCC)C1=O 262588467 BBTHXALTGFBYDE-SNVBAGLBSA-N 310.354 -0.403 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCCN[C@H]2C)C1=O 262691829 ABEGUOBACXTNLG-UWVGGRQHSA-N 308.338 -0.780 30 20 DBED C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H](C)CO)cc1 268727389 GMAPZVROUOQNMM-LLVKDONJSA-N 310.375 -0.044 30 20 DBED CNC(=O)[C@@H]1CN(CC(=O)NCc2ccc(C#N)cc2)CCO1 272865891 MZLDTSJBOHTBNN-AWEZNQCLSA-N 316.361 -0.379 30 20 DBED CCC(=O)N1CC[C@@H](/N=C(/O)CN2CCN(CC)C(=O)C2=O)C1 330006749 DAJZUOQCYWHALQ-LLVKDONJSA-N 324.381 -0.356 30 20 DBED C[C@@]1(C(N)=O)CCCCN1S(=O)(=O)N1CCO[C@@H](C#N)C1 336895288 MPDCDXPKRSFCPA-JQWIXIFHSA-N 316.383 -0.815 30 20 DBED COCCN(CCC#N)S(=O)(=O)NCCN1CCCC1 336908914 VWBJVXURGBXMGB-UHFFFAOYSA-N 304.416 -0.221 30 20 DBED N#Cc1ccc(NC(=O)C(=O)N2CCSC[C@H]2CO)nc1 340317815 XUYZCJPSWQHPSN-SNVBAGLBSA-N 306.347 -0.172 30 20 DBED CC#CCNC(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 342430989 JQVPGAIUOHZKKQ-SNVBAGLBSA-N 301.368 -0.998 30 20 DBED CC(C)n1cc(C#N)c(NC(=O)C(=O)N[C@@H]2CCCOC2)n1 344786760 NYOJTMCZERGMDT-LLVKDONJSA-N 305.338 0.569 30 20 DBED C=CCN(C(=O)COCC(=O)OC)[C@@H]1CCS(=O)(=O)C1 355249153 BEPKRJRYVMXBIR-SNVBAGLBSA-N 305.352 -0.622 30 20 DBED C=C[C@H](CO)NC(=O)[C@@H](CC)N=c1nn[nH]n1-c1ccccc1 356827636 DFIAUMFLUPSNAT-DGCLKSJQSA-N 316.365 -0.062 30 20 DBED COC(=O)[C@H]1CCN(C(=O)NCCn2cnc(C#N)n2)C[C@H]1C 357873605 DFIOQIHROPNHPJ-MNOVXSKESA-N 320.353 -0.010 30 20 DBED CC[C@@H](CC#N)NC(=O)Cn1ccc2c(=O)n(C)c(=O)n(C)c21 358076633 JFXGYRVWZCVFIE-JTQLQIEISA-N 317.349 -0.153 30 20 DBED CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)NCC(=O)NCC#N)C1 358275810 NTOPPSMBNCZPHA-MNOVXSKESA-N 309.370 -0.428 30 20 DBED CN1CC[C@](O)(CNC(=O)C(=O)Nc2ccc(C#N)cc2F)C1 358391967 JMSQOVFNYCRZJM-HNNXBMFYSA-N 320.324 -0.181 30 20 DBED C=C[C@H](CO)NC(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 358895618 WLHJRFZGULTEKS-SNVBAGLBSA-N 317.411 -0.211 30 20 DBED C#CCCS(=O)(=O)N1CC[C@@H](n2cc(C(=O)OC)nn2)C1 377377628 HRIAKWBUZNDDLX-SNVBAGLBSA-N 312.351 -0.335 30 20 DBED CC[C@]1(O)CCN(C(=O)C(=O)Nc2cc(C)n(CCC#N)n2)C1 427307418 HMBOJZKSOYSTKY-HNNXBMFYSA-N 319.365 0.417 30 20 DBED N#Cc1cc(NCC(=O)NCCO)nc2ccc([N+](=O)[O-])cc12 443493525 TUQWYZLOOINOOS-UHFFFAOYSA-N 315.289 0.535 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N1CC(S(C)(=O)=O)C1 452071528 RPMRUJIUMPMESI-SECBINFHSA-N 309.413 -0.558 30 20 DBED C=CCn1c(C2CC2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 558672973 RUNGYMGAXCWIAZ-LLVKDONJSA-N 316.365 -0.512 30 20 DBED CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC[C@H](O)C(N)=O 590337567 JIQDPFAQNMLDJL-WCQYABFASA-N 305.334 -0.076 30 20 DBED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CC[C@@H](CN)C2)cc1 592468446 GPEBSHXFECTXAY-LBPRGKRZSA-N 322.390 -0.356 30 20 DBED C[C@H](CN)N(C)C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 592469603 ZOMQWVNIYVDIBE-SNVBAGLBSA-N 310.379 -0.358 30 20 DBED N#Cc1cccc(CNC(=O)CN2CCCNS2(=O)=O)c1 596290076 JFZODVZWVSSSEM-UHFFFAOYSA-N 308.363 -0.285 30 20 DBED CCOC[C@@H]1CCN(C(=O)C(=O)N2CCN(CCC#N)CC2)C1 601473462 GQUPFGCQDWNVAL-CQSZACIVSA-N 322.409 -0.071 30 20 DBED CCN(C[C@H](C)C#N)C(=O)CN1C(=O)N[C@]2(CCOC2)C1=O 611115388 HVILLVRPTLXNRY-YGRLFVJLSA-N 308.338 -0.295 30 20 DBED C=C(C)C[C@@H](NC(=O)c1cn(CC(=O)N(C)C)nn1)C(=O)O 630325988 MMUJVADDRWMRNH-SECBINFHSA-N 309.326 -0.485 30 20 DBED C=CCOC[C@@H]1NC(=O)N(CC(C)(C)S(C)(=O)=O)C1=O 672062650 BSORDGKUXDQULH-VIFPVBQESA-N 304.368 -0.067 30 20 DBED C=CCNC(=O)COC(=O)[C@H](NC(=O)C(C)(C)C)[C@@H](C)O 745695481 JMBNQTXFXFOCRR-MWLCHTKSSA-N 300.355 -0.257 30 20 DBED N#C[C@H](C(=O)[C@H]1C[C@@H]1C1CC1)C(=O)N1CCS(=O)(=O)CC1 751839714 XGEKSOOOASZYLQ-GRYCIOLGSA-N 310.375 -0.002 30 20 DBED N#CCOc1ccccc1C(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 764511671 IZJRIKIYJTWFSU-LLVKDONJSA-N 314.301 -0.035 30 20 DBED CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)OCC(=O)NCCC#N 770101298 CXIXPNMLROGELY-JTQLQIEISA-N 319.383 -0.477 30 20 DBED N#Cc1ccc([C@H](O)CN2CCN3C(=O)NC(=O)[C@@H]3C2)cc1 778954471 WZLXRYFNBXDKTQ-QWHCGFSZSA-N 300.318 -0.172 30 20 DBED COc1nc(O)cc(C(=O)OCC(=O)NC2(C#N)CCC2)n1 784251680 ZLARBCCTBNOONZ-UHFFFAOYSA-N 306.278 -0.090 30 20 DBED C[C@H]1OC(=O)N[C@@H]1C(=O)OCC(=O)N(CCC#N)CCC#N 786075687 ZQLPKGSSGNLVKY-KOLCDFICSA-N 308.294 -0.318 30 20 DBED Cc1cc(S(=O)(=O)NCC(=O)NCC#N)cnc1Cl 796219138 WTYLBWQEWWEALV-UHFFFAOYSA-N 302.743 -0.039 30 20 DBED C#CCC[C@H](O)CNS(=O)(=O)c1cnn([C@@H]2CCOC2)c1 798485817 KSANKLHNJCBDFH-NEPJUHHUSA-N 313.379 -0.103 30 20 DBED C#CCC[C@H](O)CNC(=O)NCCn1cc(C(=O)OC)nn1 807251112 QABPHFIRXGUSRI-JTQLQIEISA-N 309.326 -0.862 30 20 DBED C=C[C@H](O)C(=O)O[C@@H](C)C(=O)N1CCN(c2ncccn2)CC1 814549967 OLDQYSOEQZEBAN-RYUDHWBXSA-N 320.349 -0.396 30 20 DBED C[C@@](C#N)(CC(=O)O)C(=O)N1CCCN(S(C)(=O)=O)CC1 819812438 ZVWZHQAQYIUQKQ-LBPRGKRZSA-N 317.367 -0.515 30 20 DBED C#CCN1CCC[C@H]1C(=O)NN1C(=O)[C@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C1=O 828680396 KTWSGOMOLQLKEY-QWQWKMKNSA-N 315.329 -0.946 30 20 DBED Cc1ccc(S(=O)(=O)NCC(=O)N[C@H]2CNC[C@@H]2C#N)cc1 843459752 HVBKAZOSLPNCQQ-AAEUAGOBSA-N 322.390 -0.499 30 20 DBED CC(C)NC(=O)[C@H](C#N)C(=O)Cn1nc2n(c1=O)CCCC2 845443271 OUHXFHUSVHTHNM-SNVBAGLBSA-N 305.338 -0.385 30 20 DBED Cn1cc(-c2n[nH]cc2C(=O)N[C@H]2CCCN(O)C2=O)cn1 848134511 WGQWEPYRTWEDAV-JTQLQIEISA-N 304.310 -0.080 30 20 DBED C#CCNC(=O)[C@@H](C)OC(=O)CN1C(=O)N[C@@](C)(CC)C1=O 854015551 UJSKPDSCNODDIW-OTYXRUKQSA-N 309.322 -0.612 30 20 DBED CS(=O)(=O)NC1CN(C(=O)C#Cc2ccc3c(c2)OCO3)C1 862841029 DBKZTOVWKSAJEG-UHFFFAOYSA-N 322.342 -0.473 30 20 DBED C#CC1(O)CN(C(=O)CC[C@H](C)CC(=O)N2CC(O)(C#C)C2)C1 890522931 NTEDBULRNTXXNX-ZDUSSCGKSA-N 318.373 -0.794 30 20 DBED C[C@]1(C2CC2)NC(=O)N(CC(=O)[C@@H](C#N)C(=O)NC2CC2)C1=O 916926524 HQZNPFDLPBVPBS-MEBBXXQBSA-N 318.333 -0.306 30 20 DBED C#CCN1CCC[C@H](N2C(=O)N[C@H](CCC(=O)OC)C2=O)C1 925326493 QRJYRNZWIUGQOG-NWDGAFQWSA-N 307.350 -0.042 30 20 DBED Cc1nc(CC(=O)N2C[C@@H]3C[C@H]2CN3C(=O)[C@H](C)C#N)n[nH]1 937138640 BRXZJFRQNDEULE-MIMYLULJSA-N 302.338 -0.373 30 20 DBED C[C@H](C#N)C(=O)N1CCCN(C(=O)[C@@H]2CCC(=O)N2C)CC1 941956841 CBUBBBKIELRIGX-NEPJUHHUSA-N 306.366 -0.172 30 20 DBED C=CCN1CC[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)[C@@H](C)C1 942106456 OTGJIZMPAVLHQH-STQMWFEESA-N 320.393 -0.440 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H]1CNC(=O)c1c[nH]c(=O)cn1 944250181 XFEPHMPPRFNWRR-VHSXEESVSA-N 303.322 -0.350 30 20 DBED C[C@@H](C(=O)NC1CCN(C(=O)[C@H](C)C#N)CC1)N1CCOCC1 948110032 PTFMMQAWBGOREE-OLZOCXBDSA-N 322.409 -0.026 30 20 DBED C[C@H](C#N)C(=O)N1CCC(NC(=O)[C@H]2CCC(=O)NC2)CC1 948110211 UGYRLASOCVADRE-MNOVXSKESA-N 306.366 -0.221 30 20 DBED Cc1nc(O)nc(O)c1CCC(=O)N1CCN(CC#N)CC1 949534149 NXDZRENMAJCQAN-UHFFFAOYSA-N 305.338 -0.203 30 20 DBED C=CCN1CC[C@H](N2CCN(C(=O)[C@@H]3CCNC3=O)CC2)C1=O 949641813 AEXQNTAUQDPTFA-OLZOCXBDSA-N 320.393 -0.946 30 20 DBED Cn1ncc(C(=O)NC[C@H]2CCN2C(=O)c2ccc(C#N)[nH]2)n1 951087065 QHYFVPFZURPOAJ-SNVBAGLBSA-N 313.321 -0.341 30 20 DBED CN(C(=O)Cc1nc[nH]n1)C1CN(C(=O)c2c[nH]c(C#N)c2)C1 955386733 JJPXQBZEBLDQSF-UHFFFAOYSA-N 313.321 -0.470 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)C(N)=O)C3)[nH]1 957969569 RZBOGXJLPVKFQF-GDPRMGEGSA-N 315.333 -0.519 30 20 DBED C=CCCN1C[C@@H](O)[C@@H](CNC(=O)c2ccn(C)c(=O)c2)C1 958184057 UFWKNUTUPKNORU-UONOGXRCSA-N 305.378 -0.016 30 20 DBED CC#CCN1C[C@H](O)[C@H](CNC(=O)c2ccoc2CC(N)=O)C1 958350592 SEYOKAQKZOXJOJ-YPMHNXCESA-N 319.361 -0.647 30 20 DBED C#CCN1C[C@H](CNC(=O)c2cc(N(C)C)ccn2)[C@@H](O)C1 958740602 RNPKXIDRFGRRNJ-WFASDCNBSA-N 302.378 -0.197 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cc2cncn2C)C1 958896858 CURFVJUWKMSFEF-DRZSPHRISA-N 319.365 -0.848 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CCOC2)C1 958950348 JOXDFQSWROZFCQ-RNJOBUHISA-N 309.366 -0.397 30 20 DBED C=CCN1CC[C@@H](NCC2CC(NC(=O)c3cnon3)C2)C1=O 962448159 WSYGLWHDHOIPLC-HTAVTVPLSA-N 319.365 -0.046 30 20 DBED Cc1nccc(C(=O)NC[C@@H]2COCCN2C(=O)[C@H](C)C#N)n1 964197120 JKYCHCLMSSOPNM-ZYHUDNBSSA-N 317.349 -0.098 30 20 DBED CC(C)[C@@H](O)C(=O)N1CC2(CN(C(=O)[C@@H](C)C#N)CCO2)C1 965474934 SMZUETMLMAHWHQ-NWDGAFQWSA-N 309.366 -0.397 30 20 DBED C[C@H]1CCN(CC#N)C[C@H]1NC(=O)c1cnc(O)n(C)c1=O 967699666 DXMOSZNFJCMBBS-GXSJLCMTSA-N 305.338 -0.550 30 20 DBED CCOc1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)[nH]n1 967975721 KHWQAUXEMUZINX-GDPRMGEGSA-N 321.337 -0.730 30 20 DBED C=CCN1CC[C@H](N[C@@H]2CCN(C(=O)Cn3nccn3)C2)C1=O 968801997 BOYHXHCOLKXTOF-OLZOCXBDSA-N 318.381 -0.745 30 20 DBED C=CCCN1CCO[C@]2(CCN(C(=O)Cn3ncnn3)C2)C1 972381925 USMWYDHQJRCOBS-CQSZACIVSA-N 306.370 -0.448 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@@H]2CCCN(C(=O)C(N)=O)C2)c1 975183678 IPEBNNOVXDKKAI-VIFPVBQESA-N 303.322 -0.660 30 20 DBED C#CCN1C[C@@H]2C(CNC(=O)c3ccn(CCN(C)C)n3)[C@H]2C1 978187026 XYRPKDPWEWYORC-HUUCEWRRSA-N 315.421 -0.015 30 20 DBED O=C(Cn1cccn1)N[C@H]1CCN(C(=O)C#CC2CC2)C[C@H]1O 991284448 MJQDNMAMIMOKAJ-UONOGXRCSA-N 316.361 -0.626 30 20 DBED C[C@]1(C(=O)NC2CN(C(=O)c3ccc(C#N)[nH]3)C2)CNC(=O)C1 996255815 GIWUEVFNOVIQAY-OAHLLOKOSA-N 315.333 -0.647 30 20 DBED C#Cc1ccc(C(=O)N2CC(CNC(=O)c3cnnn3C)C2)nc1 1001662758 XTCMEPBFJFXSFI-UHFFFAOYSA-N 324.344 -0.307 30 20 DBED C[C@H](C#N)C(=O)N1CC(CNC(=O)[C@H]2CCC(=O)N(C)C2)C1 1002491728 RVDSLXICBSTODR-PWSUYJOCSA-N 306.366 -0.411 30 20 DBED COCc1nn(C)cc1C(=O)NCC1CN(C(=O)[C@H](C)C#N)C1 1002763889 VPASEXDMMHKJGO-SNVBAGLBSA-N 319.365 -0.086 30 20 DBED C#CCN1CCC[C@@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)C1 1009099980 UNNISMIKDMMIFJ-LLVKDONJSA-N 306.366 -0.469 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CCN([C@H]3CCC(=O)NC3=O)C2)[nH]1 1010643348 MIJHFPAWPIMJIN-PWSUYJOCSA-N 315.333 -0.504 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@]2(NC(=O)C(N)=O)CCC[C@H]12 1014418228 AFURQSFOVOTYJS-KZTGVZKYSA-N 321.377 -0.297 30 20 DBED C=CCN1CC[C@H](N[C@H]2C[C@@H](NC(=O)c3ncn(C)n3)C2)C1=O 1022045475 WYWADPFQMYNEBN-TUAOUCFPSA-N 318.381 -0.548 30 20 DBED N#Cc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC3(F)F)C2)c[nH]1 1023613269 VYIWSCLKATWXSB-HBNTYKKESA-N 324.287 -0.157 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCNC2=O)C1 1025010776 XDHLRAVSJUYFMK-GMTAPVOTSA-N 309.366 -0.977 30 20 DBED Cc1nc(CC(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2O)cs1 1025726580 XGBMJJOUSWDIFU-GGZOMVNGSA-N 322.390 -0.158 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCN(Cc2nnnn2C)C1 1028810233 ZRJAPIBTNXESTI-UPJWGTAASA-N 320.397 -0.261 30 20 DBED C#CCN1CC[C@H](CNC(=O)c2cn([C@H]3CCOC3)nn2)C1 1028917984 VWDAIDBMTBAVJU-OLZOCXBDSA-N 303.366 -0.076 30 20 DBED C=CCN1CC[C@H](N2CC(CNC(=O)c3cn[nH]c3)C2)C1=O 1031558870 QNRGNOKFRZLBFS-ZDUSSCGKSA-N 303.366 -0.142 30 20 DBED CC#CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)N1C(=O)CCC1=O 1032431021 NGYHHSXZZLVOJH-AVGNSLFASA-N 303.362 -0.168 30 20 DBED N#CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCc2nnc(O)n2C1 1032484285 HOMWOYXGGLBQJU-DCAQKATOSA-N 302.338 -0.645 30 20 DBED C#CCN1CC[C@H]2CN(C(=O)CN3CCN(C)C(=O)C3)CC[C@@H]21 1036752672 CXLWESAHVFDQDY-GJZGRUSLSA-N 318.421 -0.684 30 20 DBED N#CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)c1ccc(OCC(N)=O)cc1 1037507745 ULVZKBDURRFVCH-ZLDLUXBVSA-N 314.345 -0.123 30 20 DBED CC(C)C#CC(=O)N1CC[C@@](O)(CNC(=O)CCCC(N)=O)C1 1040211967 LQKVKUYYULFVGX-MRXNPFEDSA-N 323.393 -0.619 30 20 DBED C#CCCCCC(=O)N1CC[C@](O)(CNC(=O)c2cnn[nH]2)C1 1040265955 UVIRAKYNBMQMEH-HNNXBMFYSA-N 319.365 -0.309 30 20 DBED Cc1nocc1C(=O)NC[C@]1(O)CCN(C(=O)[C@H](C)C#N)C1 1040754603 HQANUTQPPOKNCX-YMTOWFKASA-N 306.322 -0.164 30 20 DBED C=CCn1cc(C(=O)N2CC(O)(CNC(=O)[C@H](C)CC)C2)nn1 1041562668 HGSJXIXYCMHGJV-LLVKDONJSA-N 321.381 -0.187 30 20 DBED CO[C@H](C)CC(=O)NCC1(O)CN(C(=O)c2c[nH]c(C#N)c2)C1 1041936932 HACHZYXLALNXJQ-SNVBAGLBSA-N 320.349 -0.386 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)C2CC(OC)C2)C1 1042052880 VFPMKPYUUSFMRY-UHFFFAOYSA-N 312.366 -0.697 30 20 DBED C#CCCN1CC[C@@H]2CCN(C(=O)CN3CC(=O)NC3=O)C[C@H]21 1042273655 UYDMCHZTBPVXJF-CHWSQXEVSA-N 318.377 -0.516 30 20 DBED CCn1ncc(C(=O)NCC2(O)CN(C(=O)C#CC(C)C)C2)n1 1042903207 SKSRPDAHAJCBCO-UHFFFAOYSA-N 319.365 -0.740 30 20 DBED COC(=O)[C@H]1C[C@H]1C(=O)N1CC(O)(CNC(=O)C#CC(C)C)C1 1042936315 DQNMXQJVBDYWGC-NEPJUHHUSA-N 322.361 -0.856 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)CN2CC[C@H](C)C2)C1 1042940894 GPYDTMCTKLABPF-AWEZNQCLSA-N 321.421 -0.323 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)CCc2cnc[nH]2)C1 1043524280 DSOOCNFTPUASCN-JTQLQIEISA-N 305.338 -0.809 30 20 DBED Cc1cc(CC(=O)NCC2(O)CN(C(=O)[C@@H](C)C#N)C2)n(C)n1 1043861255 ILHQSFWUNOJTIF-JTQLQIEISA-N 319.365 -0.880 30 20 DBED C=CCN1CC[C@H](N2CC(N(C)C(=O)c3cnn(C)n3)C2)C1=O 1044050713 WMEKKXRQSITLAJ-ZDUSSCGKSA-N 318.381 -0.642 30 20 DBED C=CCCCC(=O)N1CC(O)(CNC(=O)c2c[nH]c(=O)cn2)C1 1045400774 DGTNRQWFJLMWNB-UHFFFAOYSA-N 320.349 -0.571 30 20 DBED N#CCN1CC[C@H](N2CCN(C(=O)c3cnsn3)CC2)C1 1046006475 MKWDQABIEKLENM-NSHDSACASA-N 306.395 -0.106 30 20 DBED C=CCN1CC[C@H](N2CCN(C(=O)Cn3cnnc3O)CC2)C1 1046023035 CZUUWRXILQBPFM-ZDUSSCGKSA-N 320.397 -0.612 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)CCc2cnccn2)C1 1046541567 DOXZPSBQIUBHRZ-LLVKDONJSA-N 317.349 -0.742 30 20 DBED C#CCN1CC[C@@](C)(NC(=O)c2cn(CC(=O)N(C)C)nn2)C1 1046854502 QBVUWMQXDNQBPR-OAHLLOKOSA-N 318.381 -0.806 30 20 DBED N#Cc1nccnc1N[C@H]1C[C@H](CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 1047019698 QRNUUPHTOZSHCS-DBIOUOCHSA-N 314.349 -0.224 30 20 DBED C=CCCN1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CCN(C)C2=O)C1 1047420408 IQDUEFISYXMFLJ-IHRRRGAJSA-N 309.410 -0.066 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)C(=O)N2CCC[C@H](C)C2)C1 1047554820 LWVYRGFQECJUIA-KKUMJFAQSA-N 321.421 -0.228 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cnn3ccc(C)nc23)C1 1047599258 NSYSVYLIGDIQJV-KBPBESRZSA-N 313.361 -0.212 30 20 DBED C=CCO[C@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2ccon2)C1 1048378452 QPBFLMYHMKWKFF-WXHSDQCUSA-N 323.349 -0.091 30 20 DBED CCOCC1(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)C#N)C2)CC1 1049401255 CKNGJNDDXFPDLI-AGIUHOORSA-N 323.393 -0.007 30 20 DBED C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1nnc(O)nc1O 1049574024 YHKFFURTRSUAQS-UWVGGRQHSA-N 303.322 -0.405 30 20 DBED C[C@@H](NC(=O)C(N)=O)[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 1050404034 MXXLSICVSBOCIK-SCZZXKLOSA-N 303.322 -0.662 30 20 DBED C[C@@H]1[C@@H](NC(=O)Cn2ncnn2)CCN1c1ccncc1C#N 1050639461 MOMGXKBHVDLNMF-PWSUYJOCSA-N 312.337 -0.277 30 20 DBED CC#CCN1CCOC[C@H]1CNC(=O)[C@@H]1CCN(C)C(=O)C1 1050989909 YURGXQNZTAIFMW-ZIAGYGMSSA-N 307.394 -0.305 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)[C@@H]1CCc2cncn2C1 1050991026 RVJXBGINLRNZTA-UKRRQHHQSA-N 302.378 -0.104 30 20 DBED C=C(C)CCN1CCOC[C@H]1CNC(=O)[C@@H]1CN(C)C(=O)N1 1051063033 DBDRLEYZRQIOHC-OLZOCXBDSA-N 310.398 -0.207 30 20 DBED CCn1ncc(CNC[C@@H]2CN(C(=O)[C@H](C)C#N)CCO2)n1 1051495164 RJLZDBXVIKSCBN-DGCLKSJQSA-N 306.370 -0.225 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H]1CN(C(=O)C2CC2)C[C@@H]1C 1051721630 TYZCCWWRZLUZHQ-WCQYABFASA-N 305.378 -0.253 30 20 DBED N#Cc1cc(CNC[C@@H]2CN(C(=O)C(N)=O)CCO2)ccc1F 1051795361 FLHNBFBCLTXPRF-GFCCVEGCSA-N 320.324 -0.500 30 20 DBED Cn1nccc1C(=O)N1CC[C@@H](N2CCN(CC#N)CC2)C1 1051996758 TUBMEHACCZLLLO-CYBMUJFWSA-N 302.382 -0.224 30 20 DBED Cc1c(C(=O)N2CC[C@H](N3CCN(CC#N)CC3)C2)nnn1C 1052002180 DUPLTZMHWPHSHM-ZDUSSCGKSA-N 317.397 -0.521 30 20 DBED C#CCN1CCC[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)CC1 1052919797 PEKKKBWXWXLBOB-GFCCVEGCSA-N 306.366 -0.516 30 20 DBED C#CCCN1CCC[C@@H](NC(=O)CN2C(=O)CNC2=O)CC1 1052920201 VUJTZXZMCWCMIZ-GFCCVEGCSA-N 306.366 -0.468 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)CN3CCCC3=O)CO2)C1 1053734385 MQXCQPFADBAVOJ-CYBMUJFWSA-N 305.378 -0.408 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1COC2(C1)CN(CCOC)C2 1053832394 JTFMAZZKPBPEAA-GJZGRUSLSA-N 321.421 -0.310 30 20 DBED CC(=O)N1CCC[C@H](C(=O)N[C@@H]2COC3(C2)CN(CC#N)C3)C1 1053865252 UYOROUYAASCZQR-KBPBESRZSA-N 320.393 -0.272 30 20 DBED C=CCN1CC[C@H](NC2(CC)CCN(C(=O)C(N)=O)CC2)C1=O 1054026592 BTEGOJMFLPPQLY-LBPRGKRZSA-N 322.409 -0.381 30 20 DBED Cn1ncc(C(=O)N2CCN(c3cnc(C#N)cn3)CC2)c1N 1055773475 GLOKEXCTAZTSMS-UHFFFAOYSA-N 312.337 -0.374 30 20 DBED N#Cc1cnccc1N1C[C@H]2C(NC(=O)Cn3cnnn3)[C@@H]2C1 1056127858 FHMDOPPDUDJGMS-GHMZBOCLSA-N 310.321 -0.809 30 20 DBED N#Cc1ccc(N2C[C@H]3C(NC(=O)Cn4cnnn4)[C@@H]3C2)nc1 1056129721 WBORENSBNDAPJN-GHMZBOCLSA-N 310.321 -0.809 30 20 DBED N#Cc1cnccc1N1C[C@H]2[C@H](NC(=O)Cc3nc[nH]n3)[C@H]2C1 1056295861 BGKIMDJSYVNOMC-HBYGRHMLSA-N 309.333 -0.135 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)Cc1cncnc1 1057439393 KSEKZJIEMARESW-UHFFFAOYSA-N 318.377 -0.240 30 20 DBED C#CCOCCC(=O)N(CCO)CCNC(=O)[C@@H](C)OCC#C 1057581089 LLBYZAWPKPLYGI-CQSZACIVSA-N 324.377 -0.998 30 20 DBED N#CCSCC(=O)NCCN(CCO)C(=O)c1cnco1 1058193084 FAMSKGHAWRLQGV-UHFFFAOYSA-N 312.351 -0.518 30 20 DBED COc1cnc(C(=O)N(CCO)CCNC(=O)[C@H](C)C#N)nc1 1058207964 CLVOSVIOPMYBEY-SNVBAGLBSA-N 321.337 -0.804 30 20 DBED C=C[C@@H](CC)CC(=O)N(CCO)CCNC(=O)CNC(N)=O 1058466811 VJURWUWVZUJWKW-NSHDSACASA-N 314.386 -0.806 30 20 DBED C#Cc1ccc(C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N)cn1 1058654631 CEVSULKNHNBJOD-LBPRGKRZSA-N 314.345 -0.227 30 20 DBED N#Cc1nc(=N[C@H]2C[C@@H](NC(=O)[C@H]3CCCC(=O)N3)C2)cc[nH]1 1059742436 QZZJRXNKPAQKGZ-OUAUKWLOSA-N 314.349 -0.502 30 20 DBED C[C@@]1(C(=O)N[C@H]2C[C@@H](Nc3cncc(C#N)n3)C2)CCNC1=O 1059823621 SXOPRHOKHFLVAZ-HFBDOXOYSA-N 314.349 -0.066 30 20 DBED C=CCOCC(=O)NC[C@@H]1COCCN1C(=O)c1cn(C)cn1 1061422706 ANGWMRJJMWBKCR-GFCCVEGCSA-N 322.365 -0.420 30 20 DBED C#CCCCC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1COCCO1 1061536809 VBALLJZXADULQF-KBPBESRZSA-N 324.377 -0.451 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)CCCN(C)C 1061846757 GSGPZWZVILOTBK-QWHCGFSZSA-N 310.398 -0.169 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CCCCN1C(=O)CNC(N)=O 1061995697 SDFURFXFWKHGJJ-GFCCVEGCSA-N 308.382 -0.189 30 20 DBED CN(C(=O)c1cnn(C)n1)[C@H]1CCN(c2cncc(C#N)n2)C1 1062955833 ZTBWRLIDPCTFAE-NSHDSACASA-N 312.337 -0.172 30 20 DBED CN1CCOC[C@H]1C(=O)NC1(CNC(=O)C#CC2CC2)CCC1 1062973813 BTCDYPBZYKSYQZ-AWEZNQCLSA-N 319.405 -0.115 30 20 DBED CN(C(=O)[C@@H]1CCNC1=O)[C@@H]1CCN(c2ccnc(C#N)n2)C1 1063004241 CGYQMGHSDVMSOF-GHMZBOCLSA-N 314.349 -0.479 30 20 DBED C=C(C)CCC(=O)NC[C@@H]1CN(C(=O)CNC(C)=O)CCO1 1064780322 AWTQBNHLGLIXFC-CYBMUJFWSA-N 311.382 -0.178 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)CCc2nc[nH]n2)C1 1065557824 VSYMNZNAFQSXJK-MNOVXSKESA-N 320.353 -0.759 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC[C@@H](NC(=O)CC(N)=O)CC1 1066015372 SDEMXPWXVNSZPF-VXGBXAGGSA-N 309.366 -0.603 30 20 DBED CN(CCCN(C)C(=O)CSCC#N)C(=O)CNC(N)=O 1066768846 IGEAJJFUWCDBSV-UHFFFAOYSA-N 315.399 -0.782 30 20 DBED N#Cc1ccc(C(=O)NC[C@H]2CN(c3ncccn3)C[C@@H]2O)[nH]1 1067668560 YSCLUSQFBXMTSB-GWCFXTLKSA-N 312.333 -0.097 30 20 DBED N#Cc1c[nH]ccc1=NCC1CC(NC(=O)[C@@H]2CCNC2=O)C1 1067876398 GFFKGYOJDUCLDS-KGPNIALWSA-N 313.361 -0.182 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1COC2(C1)CN(C(=O)Cn1ccnc1)C2 1069007311 DMVUVGOEDRHUEX-VXGBXAGGSA-N 317.349 -0.471 30 20 DBED C=CCN1C[C@H]2C[C@@H]3CN(C(=O)[C@@H]4COCCO4)C[C@@]3(C1)O2 1070767429 YNBZBNDVPHNYFW-HGTKMLMNSA-N 308.378 -0.111 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)Cn2cccn2)CC1 1070939598 SQYRNIQRIFLLKY-UHFFFAOYSA-N 303.366 -0.833 30 20 DBED Cn1cnc(C(=O)N2CCC(=O)NCCN(CC#N)CC2)c1 1070956403 NNUPZRVYGGBXGD-UHFFFAOYSA-N 304.354 -0.792 30 20 DBED C=CCCC(=O)N1C[C@@H](NC(=O)Cn2cnnc2O)[C@H](C)C1 1071786399 DHCVXAXCYNETPS-GHMZBOCLSA-N 307.354 -0.087 30 20 DBED C=CCCC(=O)N1C[C@H](C)[C@H](NC(=O)CN2CC(=O)NC2=O)C1 1071788030 UJOFZUQQVCXBQG-WDEREUQCSA-N 322.365 -0.533 30 20 DBED CCNC(=O)CC(=O)N[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1C 1072048999 PZAYRIKXIMYOMS-YPMHNXCESA-N 305.378 -0.111 30 20 DBED CNC(=O)NCC(=O)N1C[C@H](C)[C@H](NC(=O)C#CC2CC2)C1 1072268301 LSPJRXAGVOEOAA-CMPLNLGQSA-N 306.366 -0.708 30 20 DBED C=CCOCC(=O)NC1(C)CCN(C(=O)[C@@H]2CCC(=O)N2)CC1 1073174567 MKLQSYJORCYNLE-LBPRGKRZSA-N 323.393 -0.035 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC[C@@H](NC(=O)C(N)=O)C(C)(C)C1 1073479100 GVDRLDDROIXNOA-MEBBXXQBSA-N 311.382 -0.458 30 20 DBED C#CCOCCC(=O)N1CCN(C2CN(C(=O)C3CC3)C2)CC1 1073572535 FEWSJDMHGCWQFQ-UHFFFAOYSA-N 319.405 -0.209 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)[C@H]2CN(C(C)=O)CCO2)C1 1073876621 HWZCPWJPXSKPRC-LSDHHAIUSA-N 323.393 -0.926 30 20 DBED CC(C)C#CC(=O)N1CC[C@@H](NC(=O)c2nnn(C)n2)[C@@H](C)C1 1074109151 HUPCNCJNAJNPAB-NWDGAFQWSA-N 318.381 -0.164 30 20 DBED CC#CCN1CCO[C@H]2CCN(C(=O)CS(C)(=O)=O)C[C@H]21 1074188150 OGFLVDFEQLUQCL-OLZOCXBDSA-N 314.407 -0.644 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CCN(C(=O)c2cnn[nH]2)CC1 1074637570 DHHNGAYWONDAPW-SECBINFHSA-N 306.326 -0.952 30 20 DBED C=CCCN1C[C@@H]2CCN(C(=O)CN3CC(=O)N(C)C3=O)[C@@H]2C1 1076454598 CDCZJYLVERVZOY-QWHCGFSZSA-N 320.393 -0.011 30 20 DBED C=CCN1CC[C@@H](N2C[C@@H](O)[C@H](NC(=O)C(C)(C)F)C2)C1=O 1076677674 ZNVWEUMYDXCIGI-IJLUTSLNSA-N 313.373 -0.317 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)Cc1ccc[nH]1 1076766183 FEJRZKIOPHLHBC-LBPRGKRZSA-N 318.377 -0.292 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC(=O)N(C(CC)CC)C2)C1 1077083634 BNBNYTNYJNBQMT-NWANDNLSSA-N 321.421 -0.182 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CNC(=O)c3ccccc32)C1 1077147080 ASFAAOFCHTWAEF-RBSFLKMASA-N 315.373 -0.139 30 20 DBED C[C@@H](CCNC(=O)c1nnn(C)n1)NC(=O)c1cc(C#N)c[nH]1 1077877178 BMIDMIUXNUMSAM-QMMMGPOBSA-N 316.325 -0.652 30 20 DBED C[C@H](C#N)C(=O)N1CCCO[C@@H](CNCc2nnnn2C)C1 1078360584 XXOUAFORHBVUBX-MNOVXSKESA-N 307.358 -0.923 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)[C@H]2CCNC2=O)C1 1080214745 QGDZYZWLWIAVDI-AAEUAGOBSA-N 321.377 -0.780 30 20 DBED CC(=O)N[C@H](C)C(=O)N1CCC(CO)(NC(=O)[C@H](C)C#N)CC1 1080982219 WHLQLEAJMDNCOM-GHMZBOCLSA-N 324.381 -0.860 30 20 DBED C#CCOCCC(=O)N(CC)CC1CCN(C(=O)C(N)=O)CC1 1081116549 QODAFHAZOCXSRU-UHFFFAOYSA-N 323.393 -0.401 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)c2cc(=O)n(C)o2)C[C@H]1O 1081336530 ZRJSODWBXMEEBR-WDEREUQCSA-N 323.349 -0.506 30 20 DBED C=CCCC(=O)N1C[C@H](CNC(=O)C2CN(C(C)=O)C2)[C@@H](O)C1 1081436846 PCPJVEZXCVQTAT-JSGCOSHPSA-N 323.393 -0.634 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)c2ccn(C)n2)C[C@@H]1O 1081445169 RSVYYMAJYQZFBG-OCCSQVGLSA-N 318.377 -0.227 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(C(=O)c2ncc[nH]2)C[C@@H]1O 1081471401 MVAOUFFMLPVXQI-RYUDHWBXSA-N 302.334 -0.628 30 20 DBED C#CCCCC(=O)N1C[C@H](CNC(=O)c2ccncn2)[C@@H](O)C1 1081679076 FVNWCZKLXSUVRQ-JSGCOSHPSA-N 316.361 -0.171 30 20 DBED CC#CCN1C[C@@H](NC(=O)c2cn(C)ccc2=O)[C@H](OC)C1 1081929515 RHGZHXCFASNOBI-UKRRQHHQSA-N 303.362 -0.162 30 20 DBED CC[C@H]1CCCN1C(=O)C(=O)N[C@@H]1CN(CC#N)C[C@H]1OC 1082310189 GBHPTJMPBCVHLL-YNEHKIRRSA-N 308.382 -0.274 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1ccnc2nc(C)nn12 1082323582 CRNMCNZAVNOHET-ZYHUDNBSSA-N 315.337 -0.615 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1083151811 VFDNODAPEQLQDR-RFBLXINOSA-N 320.389 -0.417 30 20 DBED C=CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CC(=O)NC(=O)N1 1083208873 GEYBPVDPXSUXKC-SDDRHHMPSA-N 322.365 -0.928 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cc(C(N)=O)c[nH]1 1083234889 BCENODWWSLETLT-NWDGAFQWSA-N 303.322 -0.838 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](NC(=O)c2cncc(C(N)=O)c2)C1 1084067115 AOCYMFRRVRIDMH-KGLIPLIRSA-N 318.377 -0.078 30 20 DBED CC#CCN1CC[C@@H]2CN(C(=O)[C@@H]3CCS(=O)(=O)N3)[C@@H]2C1 1084838282 BHNAQEKTQUVNLK-FRRDWIJNSA-N 311.407 -0.766 30 20 DBED CC(=O)N1CCOC[C@@H]1C(=O)N1CC[C@H]2CCN(CC#N)[C@H]2C1 1085097483 JVLCYOPYZFNTJJ-QLFBSQMISA-N 320.393 -0.320 30 20 DBED C#Cc1cncc(C(=O)N(C)C[C@H]2CCN2CC(=O)NC)c1 1085809383 CEXFVTDTTRSBET-CQSZACIVSA-N 300.362 -0.045 30 20 DBED C=CCn1cc(C(=O)N(C)C[C@H]2CCN2[C@@H](CC)C(N)=O)nn1 1085861491 ZKAUGFBHLODEOG-YPMHNXCESA-N 320.397 -0.126 30 20 DBED C#CCN[C@H]1C[C@@H](CNC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 1086163103 YCAJPXVZZGADKP-PHIMTYICSA-N 314.353 -0.575 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2ccnc3[nH]nnc23)[C@H](O)C1 1090418937 BCDYFXHCRSWHSQ-GHMZBOCLSA-N 300.322 -0.849 30 20 DBED C#CCCN1CC[C@H](NC(=O)C(C)(C)N2CCOCC2)[C@H](O)C1 1090640872 LDADKMLEZZAXPI-LSDHHAIUSA-N 323.437 -0.328 30 20 DBED CC[C@@H](C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O)N(C)C 1091123522 VWNNOVMAOQYFBX-WOPDTQHZSA-N 318.381 -0.646 30 20 DBED C#CCCN1C[C@@H]2CN(C(=O)CN3CC(=O)NC3=O)C[C@]2(C)C1 1092106746 RIMOIQDECDRZKG-WBMJQRKESA-N 318.377 -0.658 30 20 DBED CC(C)OCC(=O)N[C@H]1CCN(c2ccc(C#N)nn2)C[C@H]1O 1092143831 UYVAJFIGGFCLDB-QWHCGFSZSA-N 319.365 -0.171 30 20 DBED N#Cc1nccc(N2CC[C@@H](NC(=O)C#CC3CC3)[C@H](O)C2)n1 1092152083 QEEMXUAQCZEIDT-CHWSQXEVSA-N 311.345 -0.183 30 20 DBED C=CCN1C[C@@H]2CN(C(=O)CC[C@@H]3NC(=O)NC3=O)C[C@]2(C)C1 1092259722 MIBNWVKIXZPVEK-WQGACYEGSA-N 320.393 -0.059 30 20 DBED CN1C(=O)CCC[C@H]1C(=O)NCCNc1cnc(C#N)cn1 1093785718 ITZDSPAVAWCTOX-NSHDSACASA-N 302.338 -0.113 30 20 DBED N#Cc1ccc(NCCNC(=O)CN2CCCCC2=O)nn1 1094256734 GSQBMGXVXQDYFK-UHFFFAOYSA-N 302.338 -0.111 30 20 DBED C#CCCN1CC(n2cc(CNC(=O)[C@H]3COCCO3)nn2)C1 1094276888 VVTNVIOJBJKWOZ-CQSZACIVSA-N 319.365 -0.810 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)CC3OCCCO3)CC2=O)C1 1094726020 CMVXFIADHXFERI-LBPRGKRZSA-N 321.377 -0.826 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)C[C@@H]3CCNC3=O)CC2=O)C1 1094743754 KOWZISDYNFTKGV-NWDGAFQWSA-N 320.393 -0.900 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)c3n[nH]cc3F)CC2=O)C1 1094785395 OCGJKPROIFTNKK-SECBINFHSA-N 305.313 -0.803 30 20 DBED C#CCCN1CC(N2C[C@@H](NC(=O)CN3CCCC3)CC2=O)C1 1094816948 IAYOPPGPVHWJCG-AWEZNQCLSA-N 318.421 -0.493 30 20 DBED N#Cc1nccnc1N[C@@H]1CCCN(C(=O)CCNC(N)=O)C1 1095296396 XXDUSEOLESCAKE-SNVBAGLBSA-N 317.353 -0.190 30 20 DBED CN1C[C@H](C(=O)NCCCN(C)c2cncc(C#N)n2)CC1=O 1095761904 SJMQNHLQHDIXFZ-LLVKDONJSA-N 316.365 -0.231 30 20 DBED CN(C)CCOCC(=O)N[C@H]1CCN(c2ccc(C#N)nn2)C1 1096401111 PHGHESWIGAIUAJ-ZDUSSCGKSA-N 318.381 -0.379 30 20 DBED C=C(C)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cn1cnc(C(N)=O)n1 1097105343 ZPUVQWAMWBHUNU-UTUOFQBUSA-N 318.381 -0.325 30 20 DBED C=CCCN(CCO)C1CCN(C(=O)Cn2cnnc2O)CC1 1098351069 FTPVQZIEYCGJDA-UHFFFAOYSA-N 323.397 -0.155 30 20 DBED COC(=O)NCC(=O)N1CC[C@H](CNc2cnc(C#N)cn2)C1 1098501113 RKHKBLANIOSHGU-SNVBAGLBSA-N 318.337 -0.035 30 20 DBED COCC#CCN1CC[C@H](NC(=O)CN(C)C2CCC2)[C@H](O)C1 1099879559 LYLYYYMAJSQVQB-JKSUJKDBSA-N 323.437 -0.328 30 20 DBED Cc1cc(COCC(=O)N[C@@H]2CCN(CC#N)C[C@@H]2O)on1 1099889725 FLEDRYZWFJZACH-OLZOCXBDSA-N 308.338 -0.425 30 20 DBED C=CCCCN1CC[C@H](NC(=O)Cn2ncn(C)c2=O)[C@@H](O)C1 1099895559 YGUCMUZSWXCKKY-STQMWFEESA-N 323.397 -0.901 30 20 DBED CC#CCCCC(=O)N[C@H]1CCN(CC(=O)NCC)C[C@H]1O 1099962228 LPOIUWYDVJAQNA-UONOGXRCSA-N 309.410 -0.133 30 20 DBED CN1C[C@H](C(=O)NCCN(C)c2ccc(C#N)nc2)NC1=O 1100255189 CTDACCYNXJLOFB-GFCCVEGCSA-N 302.338 -0.471 30 20 DBED CN(CCNC(=O)c1cn(C)c(=O)cn1)c1nccnc1C#N 1100417950 SMTLUDYMANERPN-UHFFFAOYSA-N 313.321 -0.692 30 20 DBED COCC#CCNC1CC(CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 1100438083 OMHBSDIARXYBBX-PRLABOORSA-N 323.437 -0.160 30 20 DBED CCn1cc(CC(=O)NCC2CC(NCC#CCOC)C2)nn1 1100526759 JLZQTYUANNCZFZ-UHFFFAOYSA-N 319.409 -0.025 30 20 DBED CCN(CCNC(=O)[C@H]1CN(C)C(=O)N1)c1ncccc1C#N 1100695837 BKKRSEJXGFQVMU-GFCCVEGCSA-N 316.365 -0.081 30 20 DBED CN(CCNc1ccc(C#N)cn1)C(=O)[C@@H]1CCS(=O)(=O)N1 1101626535 NGGBDKLSCGKNCW-NSHDSACASA-N 323.378 -0.485 30 20 DBED CN(CCNc1ccc(C#N)nc1)C(=O)Cn1c(O)nnc1O 1101719479 ZZBXRCJEEBQZMH-UHFFFAOYSA-N 317.309 -0.474 30 20 DBED COCC#CCN1C[C@@H](C)[C@H](CNC(=O)CNC(=O)OC)C1 1101769950 ULALLPMDROVEHK-CHWSQXEVSA-N 311.382 -0.324 30 20 DBED N#Cc1cnc(N2CCC[C@H](CCNC(=O)CC(N)=O)C2)cn1 1102906013 RUHPZHGPJSCLNZ-LLVKDONJSA-N 316.365 -0.054 30 20 DBED C[C@H](CNC(=O)CS(C)(=O)=O)CNc1nccnc1C#N 1103865728 BPOLXFSBTFHAHP-SECBINFHSA-N 311.367 -0.443 30 20 DBED COC[C@H](C)C(=O)NC[C@@H]1CN(c2ccnc(C#N)n2)CCO1 1104309484 BCBFDXICVWJSFT-NWDGAFQWSA-N 319.365 -0.048 30 20 DBED CNC(=O)NCCC(=O)N(C)[C@H](C)CNc1cncc(C#N)n1 1104546815 GWWFFSULYOLAHP-SNVBAGLBSA-N 319.369 -0.074 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)c1c[nH]c(=O)cn1 1104798224 CEYHGMDKVVTXMX-SECBINFHSA-N 313.321 -0.574 30 20 DBED N#CCNCc1cn(C2CN(C(=O)[C@H]3CCCCO3)C2)nn1 1105211276 MRRMDQYFMNICBG-CYBMUJFWSA-N 304.354 -0.156 30 20 DBED C#CCCNCc1cn(C2CN(C(=O)CN3CCCC3)C2)nn1 1105372687 SHWFPHABHOOMDT-UHFFFAOYSA-N 316.409 -0.130 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC(n2cc(CNCCCO)nn2)C1 1105380786 FUDBHQLGRQWSSP-LBPRGKRZSA-N 323.397 -0.276 30 20 DBED N#Cc1cncc(NC[C@@H](O)CNC(=O)C[C@@H]2CCCO2)n1 1105718758 QASHASQWPWDTIV-NEPJUHHUSA-N 305.338 -0.194 30 20 DBED Cc1cc(=NC[C@@H](O)CNC(=O)[C@@H]2CCCOC2)c(C#N)c[nH]1 1105742784 UJZQKUYTRLQZPH-TZMCWYRMSA-N 318.377 -0.001 30 20 DBED N#Cc1nc(=NC[C@H](O)CNC(=O)[C@@H]2[C@H]3CCC[C@H]32)cc[nH]1 1105807829 GOEWFGBTXMBEBR-KZWBYHQPSA-N 301.350 -0.295 30 20 DBED Cn1c(C(=O)NC[C@@H](O)CNc2ccc(C#N)nc2)cnc1O 1106052312 XTCVHTVNYKXJAS-NSHDSACASA-N 316.321 -0.405 30 20 DBED C[C@@H]1[C@H](C(=O)NC[C@H](O)CN=c2cc[nH]cc2C#N)CCN1C 1106152582 BAONSOIERPCLNA-MRVWCRGKSA-N 317.393 -0.396 30 20 DBED C=CCN1CC(n2cc(CNC(=O)Cc3ncc[nH]3)nn2)C1 1107221584 CZJSUOUCLSASEF-UHFFFAOYSA-N 301.354 -0.097 30 20 DBED C=CCO[C@H](C)C(=O)NCc1cn(C2CN(CCCO)C2)nn1 1107240552 CVMACKNQZUUXIF-GFCCVEGCSA-N 323.397 -0.276 30 20 DBED COCC#CCN1CCO[C@](C)(CNC(=O)C2=COCCO2)C1 1107715763 SGWSFABFBOHGJL-MRXNPFEDSA-N 324.377 -0.269 30 20 DBED CCNC(=O)CN1CCO[C@](C)(CNC(=O)C#CC2CC2)C1 1107932187 HMIMKGCDBNVMMO-MRXNPFEDSA-N 307.394 -0.257 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)CCCn2cncn2)C1 1108325775 VGWKWQYCOJYQIR-HNNXBMFYSA-N 305.382 -0.101 30 20 DBED C[C@@H](CN(C)c1ccncc1C#N)NC(=O)C1CS(=O)(=O)C1 1109116677 LPNXZRYQEFZCSO-JTQLQIEISA-N 322.390 -0.061 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1[C@H]2C[C@H]1N(c1ccnc(C)n1)C2 1109704573 WUMILIXGOLFMRG-HWWQOWPSSA-N 313.361 -0.382 30 20 DBED C[C@H](C#N)C(=O)N[C@]1(CO)CCCN(c2cnc(C#N)cn2)C1 1111342905 IHGKFDCMIATTIB-IAQYHMDHSA-N 314.349 -0.045 30 20 DBED COCCOCC(=O)N(CCO)CCNc1nccnc1C#N 1111436284 ZSHZYVQYUXVXHP-UHFFFAOYSA-N 323.353 -0.756 30 20 DBED CC(C)[C@@H](O)C(=O)N(CCO)CCNc1cncc(C#N)n1 1111461617 GIXIOTVVDJGLDI-CYBMUJFWSA-N 307.354 -0.402 30 20 DBED N#Cc1ccc(NCCN(CCO)C(=O)c2cnon2)cn1 1111494764 HRMGPKWQWHWOHJ-UHFFFAOYSA-N 302.294 -0.117 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)CNC(C)=O)C[C@H](C)O2 1111533662 LWTOQUUWEZFIOD-ZDUSSCGKSA-N 307.394 -0.162 30 20 DBED CC(C)NC(=O)NC(=O)[C@@H](C)N1CCN(C(=O)[C@H](C)C#N)CC1 1112718418 JQMDYZVGSWIVEU-VXGBXAGGSA-N 323.397 -0.087 30 20 DBED C[C@H](NC(=O)CCn1cnnn1)[C@H](C)Nc1cncc(C#N)n1 1113123886 FVHDCOZMGRDLMC-UWVGGRQHSA-N 315.341 -0.270 30 20 DBED C[C@H](NC(=O)C1CS(=O)(=O)C1)[C@H](C)Nc1ccc(C#N)nn1 1113184236 YLCHINZHBQTJMR-IUCAKERBSA-N 323.378 -0.302 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@H]1[C@@H]2CN(Cc3n[nH]c(C)n3)C[C@@H]21 1114193954 JREIVFHVEIMGKA-DRABBMOASA-N 305.382 -0.013 30 20 DBED C=C(C)CCN1C[C@H]2C(NC(=O)CNC(=O)CNC(C)=O)[C@@H]2C1 1114480168 IBIYTWRYSXXJAW-CHWSQXEVSA-N 322.409 -0.749 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)CN(CC)CC)[C@H]2C1 1114991364 BXCFCPJUJJGPKY-VIKVFOODSA-N 306.410 -0.876 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)c3ncccn3)[C@H]2C1 1115005681 PWFURFUJVLANGM-SRVKXCTJSA-N 315.377 -0.173 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)C[C@@H]3CCN(C)C3)[C@@H]2C1 1115128403 LFFTYSGVDOZSCT-BFHYXJOUSA-N 320.437 -0.323 30 20 DBED C=C[C@@H](COC)NC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C 1116625830 GFORLWSLXIIYNQ-VIFPVBQESA-N 320.349 -0.494 30 20 DBED COCC#CC(=O)N(CCCN(C)C)[C@H]1CCS(=O)(=O)C1 1118723339 DARDNQFGYNFWDG-ZDUSSCGKSA-N 316.423 -0.396 30 20 DBED C[C@@H](CN(C)C(=O)[C@@H]1CCNC1=O)Nc1ccc(C#N)nn1 1120407812 JTPRPSUTUNKIDT-GXSJLCMTSA-N 302.338 -0.257 30 20 DBED C[C@@H](CN(C)C(=O)C1(C(N)=O)CC1)Nc1ccc(C#N)nn1 1120554716 LNLRPCPYTJFPCI-VIFPVBQESA-N 302.338 -0.127 30 20 DBED C#Cc1ccc(NC(=O)C(=O)N(C)CCNS(C)(=O)=O)cc1 1120910300 MPLLEPQXOQYLGL-UHFFFAOYSA-N 323.374 -0.386 30 20 DBED N#Cc1nc(=N[C@H](CO)CNC(=O)c2ccccc2O)cc[nH]1 1121079005 LIFIBPLPJOHJKN-JTQLQIEISA-N 313.317 -0.321 30 20 DBED C#CCO[C@@H](C)C(=O)NC1CC2(C1)CC(N[C@@H](C)C(N)=O)C2 1121096936 HFUHQDYPQCBXGI-SYGUMVHVSA-N 307.394 -0.085 30 20 DBED N#Cc1cccnc1N[C@H](CO)CNC(=O)[C@H]1COCCO1 1121137093 TXHSRZPRUKYXRY-NWDGAFQWSA-N 306.322 -0.742 30 20 DBED COCCOCC(=O)NC[C@@H](CO)N=c1cc(C)[nH]cc1C#N 1121213762 UCEBVZKSMFWDMM-ZDUSSCGKSA-N 322.365 -0.764 30 20 DBED Cc1ccc(C#N)c(N[C@H](CO)CNC(=O)c2cn(C)nn2)n1 1121432379 MIWXFVBNSXZBHI-NSHDSACASA-N 315.337 -0.407 30 20 DBED C=CCO[C@@H](C)C(=O)NC[C@@H](CO)Nc1nccc(OC)n1 1121750033 VWGURLIRZYFITJ-QWRGUYRKSA-N 310.354 -0.035 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)[C@@H]2CCC(=O)N2)cn1 1121818167 HHILZMRTRNGGSI-RYUDHWBXSA-N 303.322 -0.879 30 20 DBED Cc1ccc(C#N)c(N[C@@H](CO)CNC(=O)C2(C(N)=O)CC2)n1 1122452876 VUMAEHILUVKBQM-LLVKDONJSA-N 317.349 -0.584 30 20 DBED CNC(=O)CC(=O)N[C@H]1CCCN(c2nccnc2C#N)[C@H]1C 1123537137 FSKPIZNYCCYCOY-QWRGUYRKSA-N 316.365 -0.042 30 20 DBED C#CCO[C@@H](C)C(=O)NCCNC[C@H]1CCCS(=O)(=O)C1 1127046836 UVQHGYYESWXPIL-QWHCGFSZSA-N 316.423 -0.445 30 20 DBED CC#CCN[C@@H]1CN(C(=O)c2[nH]nnc2C)C[C@@H]1n1ccnn1 1129954619 WLIHMJISUAKBRL-NEPJUHHUSA-N 314.353 -0.617 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cncc(OC)c1C 1130244025 NAHLYSUEAVMSRW-UHFFFAOYSA-N 304.350 -0.533 30 20 DBED CO[C@H]1C[C@@H](c2n[nH]c(CNC(=O)C(F)F)n2)N(CC#N)C1 1130251281 LEDFQXLIWRBQHU-YUMQZZPRSA-N 314.296 -0.029 30 20 DBED C=CCNC(=O)CNCCNC(=O)CCOC[C@@H]1CCCO1 1130688363 MJAZTVQCJKBPLZ-ZDUSSCGKSA-N 313.398 -0.420 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)CC(C)(C)O)CC[C@@H]1C 1132009607 NOLCAVGCKZBKPB-STQMWFEESA-N 309.410 -0.134 30 20 DBED C#CCNC(=O)CN1C[C@H](NC(=O)C(C)(C)C(N)=O)CC[C@H]1C 1132120418 RHQOGGYQMALOGI-VXGBXAGGSA-N 322.409 -0.784 30 20 DBED C#CCNC(=O)CN1C[C@H](NC(=O)c2n[nH]cc2F)CC[C@@H]1C 1132274325 RUOKFMUMBXKATE-WDEREUQCSA-N 321.356 -0.119 30 20 DBED C=CC(C)(C)C(=O)NCCNCC(=O)N1CCN(C(C)=O)CC1 1132395479 CDMXKFURYRGVMO-UHFFFAOYSA-N 324.425 -0.405 30 20 DBED C=CC(C)(C)C(=O)NCCNCC(=O)N1CCC[C@H](C(N)=O)C1 1132396025 YWDNAHQJLFYJHD-LBPRGKRZSA-N 324.425 -0.372 30 20 DBED Cc1cncn1CC(=O)N[C@H](C)C[C@H](C)NCC(=O)NCC#N 1135029640 PUSJHBZIGAXRBQ-NWDGAFQWSA-N 320.397 -0.296 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@H](C)Cc1cnn(C)c1 1136012532 PWMXVMPEAYBQKX-CHWSQXEVSA-N 319.409 -0.558 30 20 DBED CNC(=O)NC(=O)[C@@H](C)N1CCC2(CN(C(=O)[C@@H](C)C#N)C2)C1 1147256241 QFHFKYVFNBWNBG-WDEREUQCSA-N 321.381 -0.476 30 20 DBED C=CCNC(=O)CN1CCC2(C1)CN(C(=O)c1cncnc1)C2 1147374503 PPXXHPLSQXFYPO-UHFFFAOYSA-N 315.377 -0.073 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)CNC(=O)C1CCC1 1152324292 ORMHHKIZKUZBPE-NSHDSACASA-N 310.398 -0.701 30 20 DBED C#CCN1CCC(C(=O)NCCNCC(=O)NCCCC)CC1 1152334359 BRZKGLZKKLWBHJ-UHFFFAOYSA-N 322.453 -0.046 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@H](CCC(C)C)NC(C)=O 1153809479 OPMCRMMJSAGGHY-AWEZNQCLSA-N 324.425 -0.618 30 20 DBED C=CCNC(=O)[C@H](C)N1CC=C(CCNC(=O)C(N)=O)CC1 1161071206 WDOKDNSWAYJJJK-NSHDSACASA-N 308.382 -0.699 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)c2[nH]nnc2C)C1=O 1163744040 GGGJKJULNHRMTH-NSHDSACASA-N 306.370 -0.390 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@H](C)Cc1cnn(C)c1 1169593100 AOWRPYPHPQZIFJ-CYBMUJFWSA-N 319.409 -0.556 30 20 DBED C#CCCNCCCC[C@@H](C)NC(=O)Cn1ncn(C)c1=O 1171611990 ZBOXEPBMISYTJX-CYBMUJFWSA-N 307.398 -0.130 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)[C@@H]1CCCN1C(C)=O 1171643324 ITXUUBUFCUGDPD-OCCSQVGLSA-N 324.425 -0.216 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)CCC(=O)NCC)[C@H]1C 1178336055 QTOYNLGCJUEXGZ-STQMWFEESA-N 322.409 -0.769 30 20 DBED C[C@@H](NS(C)(=O)=O)C(=O)NCCCCCCNCC#N 1179686235 FOQFUFFEEUJWDC-LLVKDONJSA-N 304.416 -0.286 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](N[C@H]2CCC(=O)NC2=O)C1 1182515037 ZGOPIIPVFVWHDL-NEPJUHHUSA-N 307.350 -0.978 30 20 DBED C#CCNC[C@]1(C)CN(C(=O)C[C@H]2CC(=O)NC2=O)C[C@H]1C 1183680545 ZGRCZIAQDXSLOP-XHBSWPGZSA-N 305.378 -0.253 30 20 DBED C=CCNC(=O)CN1C[C@@H]2CCN(C(=O)C3=COCCO3)[C@@H]2C1 1186715549 FAFMNSIGYVIMKF-QWHCGFSZSA-N 321.377 -0.291 30 20 DBED CCOCCNC(=O)CN1C[C@@H]2CCN(C(=O)[C@H](C)C#N)[C@@H]2C1 1187311978 PJFCRHGNPDZCMZ-HZSPNIEDSA-N 322.409 -0.169 30 20 DBED C=CCCCN1C[C@@H]2CCN(C(=O)CN3CCNC(=O)C3)[C@@H]2C1 1188760229 VZISJIUDGZHDJC-LSDHHAIUSA-N 320.437 -0.083 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@@H](N(C)CCS(C)(=O)=O)C1 1190094532 LLNZCZFIGKUTLK-CHWSQXEVSA-N 316.423 -0.398 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@@H](N(C)Cc2cn(C)nn2)C1 1190105797 QEQALRSGTXUNEU-TZMCWYRMSA-N 305.382 -0.114 30 20 DBED COCCS(=O)(=O)CC(=O)N1CC[C@@H](N(C)CC#N)C1 1190974318 YCONXCUQAXHTPC-LLVKDONJSA-N 303.384 -0.896 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C=C(CC)CC)C1 1192206175 PPRPLOIHTWXAFI-ZIAGYGMSSA-N 307.394 -0.357 30 20 DBED C[C@H](C#N)C(=O)N1CCCN(CCN(C)S(C)(=O)=O)CC1 1195314139 IKNMSUDDOTZGCB-GFCCVEGCSA-N 316.427 -0.428 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C/C=C(/C)C=C)C1 1195412671 LJRYCZQQKWJNDW-NGPFNDBQSA-N 305.378 -0.581 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1CN(CCOC)C[C@H]1O 1196692212 ZEXSMXLLOWULPF-BFHYXJOUSA-N 313.398 -0.735 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)CCCN2C(=O)CNC2=O)C1 1198508646 ZBQWRQRFXKDCIR-VXGBXAGGSA-N 324.381 -0.944 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)CS(=O)(=O)CC)C1 1199081753 WQBNHBJVOZRMKZ-VXGBXAGGSA-N 304.412 -0.451 30 20 DBED C=CCCNC[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)CCCO1 1200839762 FBYJSTCFMUVXSA-CYBMUJFWSA-N 323.397 -0.635 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCC(N[C@H]2CCC(=O)NC2=O)CC1 1204028911 RNDHITDWNUNOAY-AAEUAGOBSA-N 323.393 -0.037 30 20 DBED CNC(=O)NC(=O)CNCC1CCN(C(=O)C#CC(C)C)CC1 1205210002 BDVVILJTNZWKHU-UHFFFAOYSA-N 322.409 -0.070 30 20 DBED CCO[C@H](C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C)C1CC1 1206981267 DHZITXLKXWQYSM-KYOSRNDESA-N 322.409 -0.122 30 20 DBED N#CCNC(=O)CN[C@H]1CCCN(C(=O)c2ccncc2)C1 1207062687 DZRMNSLSYMORSR-ZDUSSCGKSA-N 301.350 -0.084 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)c2cnco2)[C@H](C)C1 1208244898 SAQGHEGWBGHUIM-GRYCIOLGSA-N 304.350 -0.137 30 20 DBED COCC#CCN[C@H]1CCCN(C(=O)c2cc(=O)n(C)cn2)C1 1208358404 KCAZLAUGEAQQKU-ZDUSSCGKSA-N 318.377 -0.376 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)C(=O)C(C)(C)C)[C@H](OC)C1 1212037819 GAXVXDAQBAMDTB-VXGBXAGGSA-N 323.393 -0.834 30 20 DBED C=C(Cl)CN1C[C@@H](NC(=O)CCNC(N)=O)[C@H](OC)C1 1213829437 UDLKQYOTMIEHKM-NXEZZACHSA-N 304.778 -0.387 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)c2cncn2C)C[C@H]1C 1215074998 AUSXRKDJSFTGJB-VXGBXAGGSA-N 305.382 -0.228 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1C 1216709316 ZXBHNLFZVSHFNX-VXGBXAGGSA-N 306.370 -0.983 30 20 DBED CC(C)CNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H](C)C#N 1217533603 YAXUEGOIUPLLDC-MELADBBJSA-N 322.409 -0.170 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CNC(=O)c1ccco1 1219021539 XPRVFYGZYJOADR-GXTWGEPZSA-N 317.345 -0.446 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(Cc2nonc2C)C[C@@H]1O 1219526824 CXQSYLFJVFIAJI-DYEKYZERSA-N 310.354 -0.634 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)Cc2ccco2)C1 1220585902 CATYQAALPWURCU-YUTCNCBUSA-N 319.361 -0.879 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)c2nocc2C)C1 1220689503 IYVTYAVBUMBVEN-UTUOFQBUSA-N 322.365 -0.551 30 20 DBED C=CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3cnsn3)[C@@H]2C1 1221316297 DJRVGYKIRDWPPE-ZYHUDNBSSA-N 321.406 -0.013 30 20 DBED COCC#CCN1CC[C@@H]2CN(C(=O)c3cnn(C)c3N)[C@@H]2C1 1221490068 OOSJYNLLSUQRQA-TZMCWYRMSA-N 317.393 -0.202 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)COC(C)C)CC1 1222547682 ACOXFOJLDFHUNR-UHFFFAOYSA-N 309.410 -0.011 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)c2n[nH]cc2C)CC1 1223096077 AZJKENZDQLXFSR-UHFFFAOYSA-N 317.393 -0.091 30 20 DBED C#CCN[C@@H]1CCCC[C@H]1NC(=O)CCCS(N)(=O)=O 1228278698 SSBZTGSTXCCHGY-VXGBXAGGSA-N 301.412 -0.295 30 20 DBED C=C(C)CN(CC)C(=O)CN1CCC(NC(=O)C(N)=O)CC1 1228904395 CLWLQUMLHCFOCW-UHFFFAOYSA-N 310.398 -0.523 30 20 DBED N#CCN1CCS(=O)(=O)[C@@H](CCNC(=O)c2cncnc2)C1 1230449726 KBRDNLPQZKJGCD-LBPRGKRZSA-N 323.378 -0.781 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)Cn1cccn1 1230769894 HNWZXWOTVYKVEH-ZDUSSCGKSA-N 303.366 -0.835 30 20 DBED CCc1cc(C(=O)N(C)C[C@H]2CCN2CC(=O)NCC#N)n[nH]1 1230806354 KREIRDPNGCJCEN-GFCCVEGCSA-N 318.381 -0.242 30 20 DBED CN(C[C@H]1CCN1CC(=O)NCC#N)C(=O)c1ccnc(O)c1 1233611036 MYWDIMYMQATBDN-GFCCVEGCSA-N 317.349 -0.427 30 20 DBED C=CCOCC(=O)NCCCN(C)C[C@H](O)COCCOC 1235683418 JGOKLQUHSSWNLG-AWEZNQCLSA-N 318.414 -0.349 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1261927901 VFXXUVOKBNENEN-AAEUAGOBSA-N 306.366 -0.498 30 20 DBED C=CCNC(=O)CNC(=O)C(=O)Nc1cc(C(N)=O)ccc1F 1319864663 WETLVYFXONLECG-UHFFFAOYSA-N 322.296 -0.719 30 20 DBED C#CCOCCN(C)CC(=O)N1CCN(C(=O)C2CC2)CC1 1320281434 IQUGOLRIGLUJLT-UHFFFAOYSA-N 307.394 -0.351 30 20 DBED C[S@@](=O)C1(CNC(=O)C(=O)N2CC[C@@](F)(C#N)C2)CCC1 1324554196 IWEQNFLYAROUHF-XUSGNXJCSA-N 315.370 -0.132 30 20 DBED N#CCNC(=O)CNC(=O)C(=O)Nc1nc2c(s1)CCC2 1324974080 SMURIBIGNKCLQH-UHFFFAOYSA-N 307.335 -0.674 30 20 DBED C#CCNC(=O)CN1CCN([C@H]2CCN(C3CC3)C2=O)CC1 1326717179 TZLCIGMAMRJMIN-AWEZNQCLSA-N 304.394 -0.883 30 20 DBED C[C@@H](NC(=O)C(=O)N1CC[C@](O)(CC#N)C1)C(C)(C)CN(C)C 1326893448 BQZCAPBOBWWTAS-MLGOLLRUSA-N 324.425 -0.044 30 20 DBED C#CCNC(=O)C1CCN(C(=O)NCc2cn(CC)nn2)CC1 1327897757 MTLDMWGUIQESFS-UHFFFAOYSA-N 318.381 -0.031 30 20 DBED C#CCOCCNC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 1328068681 DTROZUNFEWBJTN-CQSZACIVSA-N 323.393 -0.878 30 20 DBED N#CCCCCNC(=O)C(=O)N1CC[C@@H](N2CCOC2=O)C1 1328903247 OVAUWJHHKJTRLG-LLVKDONJSA-N 308.338 -0.150 30 20 DBED CN(CCOCCN)C(=O)C(=O)NCC1CCC(C#N)CC1 1328975274 SDJBRJRNZBJNEW-UHFFFAOYSA-N 310.398 -0.134 30 20 DBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCCNC(=O)C1 1332748442 RMXHZHQEIQTFDS-AAEUAGOBSA-N 309.366 -0.568 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CC=CCC2)CC1 1336048924 HLMBXLWFIOPAKH-CYBMUJFWSA-N 311.407 -0.046 30 20 DBED C=CCN(C)c1nnc(CCN(C)S(N)(=O)=O)n1CC 1341037558 YGKSFVBOUWFFIE-UHFFFAOYSA-N 302.404 -0.402 30 20 DBED CCOC1CC(O)(CNC(=O)C(=O)Nc2cnn(CC#N)c2)C1 1343905579 WUMUEGZTOTUNLO-UHFFFAOYSA-N 321.337 -0.609 30 20 DBED N#Cc1cn(CC(=O)N2[C@H]3CC[C@H]2CC(O)C3)c(=O)nc1O 1362341691 WHHAYFYRKVKHBP-UWVGGRQHSA-N 304.306 -0.665 30 20 DBED C[C@@H]1CN(C(=O)Cn2cc(C#N)c(O)nc2=O)CC2(CCC2)O1 1363203741 USKQFUBGRQJWJF-SNVBAGLBSA-N 318.333 -0.009 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H](CNC(=O)Cn2cnnn2)C1 1372647019 LOGXNMKFVNWRBB-QWRGUYRKSA-N 305.342 -0.812 30 20 DBED C[C@@H](C#N)C(=O)NCC1CN(C(=O)c2ccoc2CC(N)=O)C1 1387924112 BKQLCEZJZFLQHK-VIFPVBQESA-N 318.333 -0.345 30 20 DBED CC[C@H](CNC(=O)c1cn(C)nn1)NC(=O)c1c[nH]c(C#N)c1 1390442973 OWIAPJOBQUAUGQ-SNVBAGLBSA-N 315.337 -0.047 30 20 DBED C=C(Cl)CN1CC[C@@H]1CNC(=O)C[C@H](NC(C)=O)C(N)=O 1392870868 VPLVUJQTKWHTPK-MNOVXSKESA-N 316.789 -0.691 30 20 DBED COCC1(C(=O)NC[C@@H](O)CNC(=O)[C@@H](C)C#N)CCCC1 1410121972 JKJKZYUHLDRSDF-RYUDHWBXSA-N 311.382 -0.054 30 20 DBED CC(C)N1CC(NC(=O)CCn2cc(C#N)c(O)nc2=O)C1 1412035681 XUZSYGHYIYTANU-UHFFFAOYSA-N 305.338 -0.581 30 20 DBED C[C@H](C#N)C(=O)N1CCN(CCNC(=O)COCC2CC2)CC1 1414739336 NGEXGYMWWJVBHA-CYBMUJFWSA-N 322.409 -0.167 30 20 DBED C[C@H](CCNC(=O)c1cc(C#N)c[nH]1)NC(=O)[C@@H]1COCCO1 1415378465 WZFXTKBPVNIDPS-MFKMUULPSA-N 320.349 -0.074 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](C)CCNC(=O)CN1CCOCC1=O 1429056074 LWCGAAAFPRUHHP-WDEREUQCSA-N 310.354 -0.984 30 20 DBED Cc1c(C(=O)NC[C@H](NC(=O)[C@@H](C)C#N)C2CC2)nnn1C 1429946646 MVPQAKVREYNNRV-KWQFWETISA-N 304.354 -0.092 30 20 DBED N#CCCN1CCN(C(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)CC1 1434782249 LFZMJMNETKACQG-NEPJUHHUSA-N 309.370 -0.740 30 20 DBED CC(C)CNC1(CO)CCN(C(=O)Cn2cnc(C#N)n2)CC1 1454153492 VNOPPXJFQYXHCF-UHFFFAOYSA-N 320.397 -0.251 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CCCN(C(=O)c2c[nH]c(=O)cn2)C1 1454954923 QOQPXSATIFUYNF-QWRGUYRKSA-N 317.349 -0.007 30 20 DBED C=C(Cl)CN1CC[C@H]1CNC(=O)CNS(=O)(=O)CC 1483653440 PJCXBERTKKGRQS-JTQLQIEISA-N 309.819 -0.131 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@@H](O)CNCc2cnns2)c1 1496962834 XXXLVHIHRMJVHQ-VIFPVBQESA-N 306.351 -0.382 30 20 DBED C[C@@H](CN(C)C(=O)CCS(C)(=O)=O)NC(=O)[C@@H](C)C#N 1510649566 XUJIKMCNQSITBP-UWVGGRQHSA-N 303.384 -0.456 30 20 DBED C=C(C)Cn1c(C[C@H](O)CC#N)nnc1N1CCN(C)C(=O)C1 1515483127 PLTWPYYXLNMJBZ-GFCCVEGCSA-N 318.381 -0.050 30 20 DBED C#CCN1CCC(N(Cc2cnn[nH]2)C(=O)c2nc[nH]n2)CC1 1574986188 VAFNIWYTDKCTDV-UHFFFAOYSA-N 314.353 -0.337 30 20 DBED N#C[C@]12CN(C(=O)[C@@H]3NCC34CCCC4)C[C@H]1CS(=O)(=O)C2 1580056887 HDFJFXZDLVDAHA-SLEUVZQESA-N 323.418 -0.085 30 20 DBED C#CC[C@H](NC(=O)COCc1ocnc1C(=O)O)C(=O)OC 1588404729 HEZUFLPQTRGWIY-QMMMGPOBSA-N 310.262 -0.430 30 20 DBED C#CC[C@H](NC(=O)c1oc(S(N)(=O)=O)cc1C)C(=O)O 1588421893 PPUDMAFRPBVEFK-ZETCQYMHSA-N 300.292 -0.558 30 20 DBED CC(C)(C)C#CC(=O)NC[C@H](O)CN=c1cc[nH]c(C(=O)O)n1 1589684109 AOQUJDOKYREWIE-SNVBAGLBSA-N 320.349 -0.465 30 20 DBED CC(C)(NC(=O)Cn1cnc(C#N)n1)c1cc(C(=O)O)on1 1590849364 VYLZFUOELFQDMH-UHFFFAOYSA-N 304.266 -0.113 30 20 DBED N#CC[C@@H](O)CN1CCN(c2ccc(-c3nn[nH]n3)nc2)CC1 1592681889 KRGGMVIRNWJXDO-GFCCVEGCSA-N 314.353 -0.342 30 20 DBED CC1(NCC(=O)NCC#N)CCN(C(=O)[C@@H]2C[C@H]2C(=O)O)CC1 1594061168 SSVQCTXGDGPPFJ-GHMZBOCLSA-N 322.365 -0.682 30 20 DBED C[C@@H]1CN(S(=O)(=O)N2CCO[C@@H](C#N)C2)C[C@H]1C(=O)O 1599867944 HBGUNNMSCDEFIS-KXUCPTDWSA-N 303.340 -0.892 30 20 DBED N#CCCN1CCN([C@H]2CCCN(CCC(=O)O)C2=O)CC1 1601067615 APLHITCQAFPYPA-ZDUSSCGKSA-N 308.382 -0.017 30 20 DBED C=C(CN(C)C)C(=O)N(CCN1CCN(C)CC1)CC(=O)O 1602787504 IKEUDVADNBNLMA-UHFFFAOYSA-N 312.414 -0.735 30 20 DBED C[C@@H](CC(=O)O)C(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1 1604090567 RXDQUNRWSOPFBL-IUCAKERBSA-N 316.335 -0.937 30 20 DBED N#CCNC(=O)CSc1nc(N)c(-c2nn[nH]n2)cc1C#N 1606349618 FXQSBFUQPBOIFG-UHFFFAOYSA-N 315.322 -0.553 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC[C@@H](NC(=O)C(C)(C)NC(C)=O)C1 1690106923 URXQYSZFWGJSCZ-DGCLKSJQSA-N 324.425 -0.218 30 20 DBED C=CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)CNC(=O)OC)C1 1731432309 IJXQSSNNAJIRDH-QWRGUYRKSA-N 312.370 -0.776 30 20 DBED CN(C(=O)CS(=O)(=O)N(C)C)C1CCN(CC#N)CC1 1752310695 RALVUHDYESUUJZ-UHFFFAOYSA-N 302.400 -0.676 30 20 DBED C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccncc1)NCC(=O)NCC#N 1752876473 ZWALBFBVCIMNDL-KWCYVHTRSA-N 315.377 -0.081 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CCCN1Cc1ncnn1C 1753102476 KYOYSQNZBBPSEW-ZDUSSCGKSA-N 305.382 -0.064 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)CNC(=O)C3CC3)C2)C1=O 1753371275 IAEYVRGHKVDMQN-ZDUSSCGKSA-N 320.393 -0.900 30 20 DBED C=CCNC(=O)[C@H](C)N1CC(NC(=O)C2(C(=O)NC)CC2)C1 1753388128 KIKRTWITRYBNJH-JTQLQIEISA-N 308.382 -0.996 30 20 DBED C#CCNC(=O)CN1CC(CNC(=O)c2ccc(C)n2C)C1 1753402830 VZTZQGQHPFFYHB-UHFFFAOYSA-N 302.378 -0.255 30 20 DBED C#CCNC(=O)CN1CC(CNC(=O)C[C@H](C)[C@H]2CCCO2)C1 1753414939 VOMUPYAXPQSJNK-DZGCQCFKSA-N 321.421 -0.011 30 20 DBED C=CCNC(=O)CN1CC[C@@H](N(CC)C(=O)[C@H](C)CC(N)=O)C1 1753462538 VHJCCAJTOKWGHZ-CHWSQXEVSA-N 324.425 -0.277 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@@H](C)CNC(=O)c1cccc(O)n1 1753608926 SYBYCGJKKSORPI-NEPJUHHUSA-N 318.377 -0.119 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(Cc2nncn2C)CCO1 1753650732 YNVOXTGGMKPMGB-CYBMUJFWSA-N 305.382 -0.064 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@H](C)N(C)C(=O)CCn1cncn1 1753679825 SHHZJNBYWFFRRL-STQMWFEESA-N 320.397 -0.757 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)CCN(C)C(=O)Cn1nccc1C 1753864608 QNHRJRINOVZIHG-CQSZACIVSA-N 319.409 -0.280 30 20 DBED C=CCN1CC[C@@H](NC[C@@H](O)CNC(=O)c2c[nH]nc2C)C1=O 1753921892 MKIFWYOLKJCRMV-DGCLKSJQSA-N 321.381 -0.815 30 20 DBED N#CCNC(=O)CNC1(CNC(=O)[C@@H]2CCCO2)CCOCC1 1754733588 COCMIGGSTPEERU-LBPRGKRZSA-N 324.381 -0.940 30 20 DBED C[C@H](NCC#N)[C@H]1CCN(C(=O)CN2CCC(=O)NC2=O)C1 1754803528 DMIUTCLHPBBBSO-QWRGUYRKSA-N 307.354 -0.722 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)C(C)(C)NC(=O)NCC=C 1754974507 PBWRLTMMGGKDPP-CYBMUJFWSA-N 322.409 -0.300 30 20 DBED C#CCCN1CCN([C@H]2CCN(C(=O)[C@@H](C)NC(C)=O)C2)CC1 1755017933 SLWUUCOZYQVJOJ-ZBFHGGJFSA-N 320.437 -0.247 30 20 DBED C[C@]1(C(=O)NCC2[C@@H]3CN(CC#N)C[C@@H]23)CCCS1(=O)=O 1755431180 WNCQXQFWQGRHFL-SGMGOOAPSA-N 311.407 -0.229 30 20 DBED C=C(Cl)CN[C@H](CO)CNC(=O)CCN1C(=O)CCC1=O 1755632963 KMPWSVIJRDPUPX-JTQLQIEISA-N 317.773 -0.655 30 20 DBED Cc1cccc(C(=O)N(C)C[C@@H](O)CNCC(=O)NCC#N)c1 1755772087 WQOCATUDZOLUCG-AWEZNQCLSA-N 318.377 -0.343 30 20 DBED CN(C[C@H](O)CNCC(=O)NCC#N)C(=O)[C@H]1CC12CCCC2 1755790797 DHSCHMUXMUYAIZ-CHWSQXEVSA-N 322.409 -0.385 30 20 DBED C=CCCC(=O)NC[C@H]1[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@H]12 1756191929 GDUHLDQKROFSOQ-MLGHIDQZSA-N 305.378 -0.105 30 20 DBED N#CCSCC(=O)N1CCC(C2(NC(=O)C(N)=O)CC2)CC1 1756751922 DCWALUYYIXCAHJ-UHFFFAOYSA-N 324.406 -0.384 30 20 DBED CCO[C@H](C)C(=O)N1C[C@@H](O)[C@H](NC(=O)CSCC#N)C1 1756979917 UXJFQASBUCDQPF-GMTAPVOTSA-N 315.395 -0.644 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@H](NC(=O)[C@H]2CCCC(=O)N2)C1 1757184618 UNGIDNXMLBTCPN-UPJWGTAASA-N 321.377 -0.998 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(C(=O)Cc2ccc[nH]2)C[C@@H]1O 1757564051 QSXFQPSESVZXKN-KGLIPLIRSA-N 321.377 -0.162 30 20 DBED COCCN(CCC(=O)O)S(=O)(=O)N1CCC(C#N)CC1 1777210712 WJKKZGHVOADBTO-UHFFFAOYSA-N 319.383 -0.110 30 20 DBED C[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(C#N)CC3)[C@H]2C1 1786699665 UAUFXQRAVOSTII-CYDGBPFRSA-N 321.377 -0.349 30 20 DBED CC(=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CC1)C2 1795061001 LGEUGGRSLQVRRH-ZSBIGDGJSA-N 305.334 -0.531 30 20 DBED N#CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccncn1)C2 1795080998 HZHLAHJEXMRRDB-GNXNZQSNSA-N 315.333 -0.407 30 20 DBED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(=O)N(C)C 1795466546 CHGMFCKMNDBPDW-DABQJJPHSA-N 321.377 -0.922 30 20 DBED CCN1CCN(CC(=O)NCC#Cc2ccccc2)C(=O)C1=O 48775242 ACRJCACJJBCFIA-UHFFFAOYSA-N 313.357 -0.155 30 20 DBED N#Cc1ccc(CN2CCN(CCS(N)(=O)=O)CC2)cc1 77247329 HJGZMIIJEKGFPV-UHFFFAOYSA-N 308.407 -0.036 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)[C@H]2CCCN2C)CC1 162724055 ZMUYIMICBODKMO-ZIAGYGMSSA-N 308.426 -0.085 30 20 DBED CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C[C@@H](C#N)CCC#N 245749044 GIMLHOMVSODFMF-NEPJUHHUSA-N 312.395 -0.335 30 20 DBED CNS(=O)(=O)CCNC(=O)C(=O)Nc1cccc(C)c1C#N 276173979 QVFSXZXVDCAWAL-UHFFFAOYSA-N 324.362 -0.529 30 20 DBED CN1C(=O)C(/C(N)=N/OC[C@@H]2CNC(=O)O2)=C(N)C12CCCC2 282171294 FCKYAGHNFZJQMO-QMMMGPOBSA-N 323.353 -0.619 30 20 DBED C=CCN1CCC(NC(=O)C(=O)N2CCNC(=O)[C@@H]2C)CC1 286357548 BVOGQGODFSAMMM-NSHDSACASA-N 308.382 -0.900 30 20 DBED O=C1[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(=O)N1C/C(O)=N/[C@@H]1[C@H]2COC[C@H]21 330080116 GHZSGRGLDIUOJE-UUSSLQHNSA-N 306.318 -0.250 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@@H]1CCC(=O)N(C)C1 330400033 UECFCSXUMSPESY-LLVKDONJSA-N 318.399 -0.696 30 20 DBED CCOC(=O)CN(C1CC1)S(=O)(=O)N1CCO[C@H](C#N)C1 336919012 PTUXMRIAWXQTLV-LLVKDONJSA-N 317.367 -0.517 30 20 DBED CN(CC(=O)N1CCSC[C@@H]1C#N)[C@@H]1CCS(=O)(=O)C1 342407389 KARIBQUJKSFSFT-MNOVXSKESA-N 317.436 -0.427 30 20 DBED N#CCNC(=O)CNC(=O)CNC(=O)c1cc(F)cc(F)c1 344177334 KCEMZPHRDMRZPH-UHFFFAOYSA-N 310.260 -0.549 30 20 DBED N#Cc1ccc(NCC(=O)NCC(=O)N2CCOCC2)cc1 345602806 GPWJFKZYWLQJPO-UHFFFAOYSA-N 302.334 -0.055 30 20 DBED C[C@H]1CC[C@H](NS(=O)(=O)CCCS(=O)(=O)NCC#N)C1 349596290 XIUMSXYHWFIFMN-QWRGUYRKSA-N 323.440 -0.073 30 20 DBED C[C@H]1C[C@H](C)CN(S(=O)(=O)NCCn2cnc(C#N)n2)C1 352642921 RMYZBQCTIRTHKK-QWRGUYRKSA-N 312.399 -0.038 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1C[C@@H]2[C@H](CCS2(=O)=O)C1 353136118 JUYGXOZSNXIEOX-HBNTYKKESA-N 315.395 -0.494 30 20 DBED C=CC1CCN(S(=O)(=O)N2CCS(=O)(=O)CC2)CC1 354512246 MLQPIRWZGRILPP-UHFFFAOYSA-N 308.425 -0.140 30 20 DBED CCc1nc([C@H](C)NC(=O)NCCn2cnc(C#N)n2)n[nH]1 357871704 XNFYDERNFDVBTB-QMMMGPOBSA-N 303.330 -0.109 30 20 DBED COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)N1CC(O)(CC#N)C1 358912064 ZMZNKFIVHSVVMM-NXEZZACHSA-N 302.352 -0.382 30 20 DBED C[C@@H]1OCC[C@]12CN(S(=O)(=O)N(C)CCC#N)CCO2 359932470 GREGDMZREPLKLA-RYUDHWBXSA-N 303.384 -0.044 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cnn(C)c2C)C1=O 362655936 OMKOAGAKWOWTIU-UHFFFAOYSA-N 305.294 -0.356 30 20 DBED CC[C@H](C(=O)OC)N1CCN(S(=O)(=O)[C@H](C)C#N)CC1 416478839 FDRGVLYRUSDPDF-GHMZBOCLSA-N 303.384 -0.203 30 20 DBED CCN(CCCNC(=O)[C@@H](N)CCCC#N)S(C)(=O)=O 424104307 SOICUXCWTXUTQE-NSHDSACASA-N 304.416 -0.205 30 20 DBED C=CCn1cc(CNC(=O)N[C@H]2CCN(CCOC)C2)nn1 425449314 JIZYLVKQIVWVDO-LBPRGKRZSA-N 308.386 -0.016 30 20 DBED C=CCOC[C@H](NC(=O)[C@@H]1CCCN(C(N)=O)C1)C(=O)OC 435140896 WNZUZKMXUIFWQQ-MNOVXSKESA-N 313.354 -0.363 30 20 DBED C#CCn1ccc(CN(CC)CC(=O)N[C@H](C)C(=O)N(C)C)n1 491360051 CRODXODRPRQMCB-CYBMUJFWSA-N 319.409 -0.069 30 20 DBED C#CCNC(=O)CN1CCN(Cc2cc(=O)c(OC)co2)CC1 491691214 FONFAUNPXYXPHX-UHFFFAOYSA-N 319.361 -0.485 30 20 DBED CS(=O)(=O)N1CCC[C@H](C(=O)Nc2nc(C#N)c(C#N)[nH]2)C1 530262304 NSUUSRBBJVRILE-QMMMGPOBSA-N 322.350 -0.237 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)NC[C@@H](CC(=O)O)C(=O)O 567053243 XCNZUQJEBHTFAK-HTQZYQBOSA-N 307.328 -0.770 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)NC[C@@](C)(CO)CC(=O)O 593270370 JGGRNQOJCDLSPO-ONGXEEELSA-N 307.372 -0.614 30 20 DBED CN(CC(=O)NCC#N)CC(=O)Nc1ccc2c(c1)OCCO2 599682601 IACJJUOTDNZLNQ-UHFFFAOYSA-N 318.333 -0.032 30 20 DBED CCN1CCC(NC(=O)C(=O)N2CCN(CCC#N)CC2)CC1 602227552 ZJVPOVROUZLFNY-UHFFFAOYSA-N 321.425 -0.355 30 20 DBED COCCNC(=O)CN1CCN(C(=O)NCCCC#N)CC1 612380403 MHXKLTKUGKKKTQ-UHFFFAOYSA-N 311.386 -0.620 30 20 DBED CC#CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(OC)nc1OC 646953949 LUWFVHSECHGMKV-JTQLQIEISA-N 321.333 -0.072 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N[C@@H](C)[C@@H]1CN(C)CCO1 685337389 KTVJIMKIPWQPTG-STQMWFEESA-N 313.398 -0.517 30 20 DBED N#CCN(CC#N)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 749603822 MONQHPUXMQVBDN-UHFFFAOYSA-N 318.314 -0.293 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)CC2OCCCO2)CC1 792891001 OMFLTWAZPFCZEL-UHFFFAOYSA-N 311.382 -0.414 30 20 DBED CC[C@]1(C)NC(=O)N(NS(=O)(=O)N(C)CCC#N)C1=O 808308546 AQHHQTHJQMPYDO-JTQLQIEISA-N 303.344 -0.698 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCNC(=O)C[C@@H]1C)[C@@H]1CCCO1 809309745 RBNFKZJJMFTJNT-SRVKXCTJSA-N 307.350 -0.980 30 20 DBED COC(=O)CC[C@]1(C)NC(=O)N(CN2CCOC[C@H]2C#N)C1=O 811751215 JGJBFHQPIMTMOM-YGRLFVJLSA-N 324.337 -0.568 30 20 DBED Cn1c(N[C@@H]2CCC[C@@H]2C#N)c(-c2nn[nH]n2)c(=O)n(C)c1=O 822600641 OVCXXMXINRPDCI-HTQZYQBOSA-N 316.325 -0.632 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)OCC(=O)N1CCCC[C@H]1C(N)=O 838002748 FQVWNQNRFBXWCE-WOPDTQHZSA-N 310.350 -0.013 30 20 DBED C#Cc1cccc(CNC(=O)C(=O)N2CCO[C@H]([C@@H](C)N)C2)c1 842032939 KDVKDZVVWOPUSB-DOMZBBRYSA-N 315.373 -0.141 30 20 DBED CC(C)(CCS(=O)(=O)O[C@H]1CNOC1)S(C)(=O)=O 845934337 WWXWZXWQISWXGK-QMMMGPOBSA-N 301.386 -0.551 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)CN(C)C2CCC2)CC1 863866616 JDUUMDJFWMBNPX-UHFFFAOYSA-N 306.410 -0.636 30 20 DBED C#C[C@@H](NC(=O)C(=O)N[C@H]1CC[C@H](CN)CC1)[C@H]1CCCO1 884552889 LEFGBPOMUHIGPM-AAVRWANBSA-N 307.394 -0.083 30 20 DBED C#CC1(O)CN(C(=O)CCNC(=O)c2n[nH]c3ccccc23)C1 890521904 YWQBUMFAJAQTKL-UHFFFAOYSA-N 312.329 -0.111 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)c3nnn(C)n3)C2)cc1 938462761 QRQXECPEYKRLML-ZDUSSCGKSA-N 324.344 -0.164 30 20 DBED CC(=O)N1CC[C@@H](C(=O)N[C@@H]2CCN(C(=O)C#CC3CC3)C2)C1 942106160 VTPLEXFIHFIUGH-HUUCEWRRSA-N 317.389 -0.015 30 20 DBED C=CCN1CC[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)[C@H](C)C1 942106454 OTGJIZMPAVLHQH-OLZOCXBDSA-N 320.393 -0.440 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@H]1CCN(C(=O)C(N)=O)C1 942987509 VIQKSPYTSQTIAP-TUAOUCFPSA-N 309.366 -0.488 30 20 DBED O=C(NC[C@H]1CCN1C(=O)C#CC1CC1)C1CS(=O)(=O)C1 950155195 CNFYZGLXFAFZET-GFCCVEGCSA-N 310.375 -0.839 30 20 DBED Cn1cc(C(=O)N[C@H]2CCCN(C(=O)C#CC3CC3)C2)nn1 950758549 KHTJEEGGYRKBAU-LBPRGKRZSA-N 301.350 -0.051 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]1CNC(=O)c1cccn(C)c1=O 951354965 ZDEOEWPTSNKBEF-GHMZBOCLSA-N 302.334 -0.124 30 20 DBED CN(C(=O)c1cc(C#N)c[nH]1)C1CN(C(=O)Cn2nccn2)C1 953997497 GLAUUVXRLBXZIB-UHFFFAOYSA-N 313.321 -0.539 30 20 DBED CCn1cc(CC(=O)N(C)C2CN(C(=O)[C@@H](C)C#N)C2)nn1 954996087 UGCSPPUNEPBZMB-JTQLQIEISA-N 304.354 -0.331 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2nn3c(c2C)OCCC3)C1 958122119 QENCLGQYBNDBCE-QWHCGFSZSA-N 318.377 -0.370 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2ncc(OC)cc2F)C1 958127285 WHOKGGMXVWXXNS-MFKMUULPSA-N 307.325 -0.115 30 20 DBED CCCc1c(C(=O)NC[C@@H]2CN(CC#N)C[C@@H]2O)cnn1C 958210471 MWXCOKDJPVPBQP-RISCZKNCSA-N 305.382 -0.081 30 20 DBED C=CCN1C[C@@H](O)[C@H](CNC(=O)c2cc(=O)c(OC)co2)C1 958263572 QYAHQDITDXAWOC-ZYHUDNBSSA-N 308.334 -0.143 30 20 DBED C=CCN1C[C@H](O)[C@H](CNC(=O)c2cccnc2C(N)=O)C1 958719047 ZDPAVNOGFLUCJP-PWSUYJOCSA-N 304.350 -0.611 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2CN(C(=O)C(N)=O)C[C@@H]2C)nc1 959574431 YRNNSZYFHKQEGA-JQWIXIFHSA-N 314.345 -0.628 30 20 DBED C=CCN1C[C@@H]2C(NC(=O)c3coc(S(N)(=O)=O)c3)[C@H]2C1 960621402 KBTZNPNKUAFQBF-UWVGGRQHSA-N 311.363 -0.227 30 20 DBED Cc1cn2nc(C(=O)NC3[C@@H]4CN(CC#N)C[C@@H]34)cc2c(=O)[nH]1 961347384 JETSWLCDBMVXCS-NXEZZACHSA-N 312.333 -0.485 30 20 DBED NC(=O)CC(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)C#CC1CC1 962885290 SYLORMOPPMBTHQ-OLZOCXBDSA-N 303.362 -0.133 30 20 DBED C=CCCN1CC[C@H](C)[C@@H](NC(=O)CN2CC(=O)NC2=O)C1 968430526 DPXABTDYZYVIQA-RYUDHWBXSA-N 308.382 -0.059 30 20 DBED C#CCN[C@@H]1CCN(C(=O)c2ccc(OCC(N)=O)cc2)C1 969255990 RPBYGAWUHIWKMX-CYBMUJFWSA-N 301.346 -0.012 30 20 DBED N#Cc1ccccc1CN[C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 969766484 ODWASTJQNSAGPE-ZIAGYGMSSA-N 313.361 -0.070 30 20 DBED C#CCN1CC([C@@H](C)NC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 970194487 FIUTZZSBKABNAZ-MFKMUULPSA-N 301.350 -0.565 30 20 DBED C#Cc1cncc(C(=O)N[C@H](C)C2CN(CC(=O)NC)C2)c1 970397947 IKKREKIUDSMZSU-LLVKDONJSA-N 300.362 -0.141 30 20 DBED C#CCCN1C[C@H]2CC[C@H]1CN2C(=O)c1nccnc1C(N)=O 972092590 JJQDVKIVNBMMOV-NWDGAFQWSA-N 313.361 -0.112 30 20 DBED C=C(C)CN1CCO[C@]2(CCN(C(=O)Cn3cnnc3O)C2)C1 972348988 TTWDVPHHRSNGML-OAHLLOKOSA-N 321.381 -0.137 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)c3cn(C)c(=O)cn3)C2)C1 972470279 CHLBLTJCQLTPGA-INIZCTEOSA-N 316.361 -0.670 30 20 DBED C#CCN1C[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C(C)(C)C1 974657296 NRGOVPXXBIUKPA-GFCCVEGCSA-N 318.377 -0.993 30 20 DBED CN(C[C@@H]1CCN1C(=O)C#CC1CC1)C(=O)[C@H]1COC(=O)N1 977657899 PVAMHVVGRSFGIY-NWDGAFQWSA-N 305.334 -0.433 30 20 DBED CC#CCN1C[C@H]2C(CNC(=O)c3cnc(O)n(C)c3=O)[C@@H]2C1 978591472 CNIQHYVIYHSQPW-STQMWFEESA-N 316.361 -0.583 30 20 DBED CC#CCN1CCCC2(C1)CN(C(=O)[C@@H]1CN(C)C(=O)N1)C2 981936035 WFWPNJBLOYFQTO-ZDUSSCGKSA-N 304.394 -0.042 30 20 DBED O=C1C[C@@H](C(=O)NC[C@@H]2CCN(C(=O)C#CC3CC3)C2)CCN1 982741720 IUJWCEIRQJFQFS-KBPBESRZSA-N 317.389 -0.109 30 20 DBED C#Cc1ccc(C(=O)N2CC(NC(=O)c3cnn(CC)n3)C2)cn1 991194051 XXIURLQWYFUJSM-UHFFFAOYSA-N 324.344 -0.071 30 20 DBED C[C@H](C#N)C(=O)N1CC(NC(=O)c2cc3c(cn2)OCCO3)C1 994264510 TZVFBWLOQYOJTK-SECBINFHSA-N 316.317 -0.047 30 20 DBED O=C(C#CC1CC1)N1CCC(NCCN2C(=O)CNC2=O)CC1 996405245 VDWCOPUVTMHRDP-UHFFFAOYSA-N 318.377 -0.468 30 20 DBED C#Cc1cncc(C(=O)NC2CN(C(=O)c3nnn(C)c3C)C2)c1 999304621 PFTVDPZZIWMVED-UHFFFAOYSA-N 324.344 -0.246 30 20 DBED C[C@@H](NC(=O)[C@@H]1CCC(=O)N1C)C1CN(C(=O)C#CC2CC2)C1 1006621208 KKHYSSWYYWZLNE-RISCZKNCSA-N 317.389 -0.016 30 20 DBED CN1CC[C@@H](N2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)C1=O 1010696082 GJGZIMQIOWVVJS-WCQYABFASA-N 301.350 -0.079 30 20 DBED CC(=O)N1CC(C(=O)NC2[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]23)C1 1013010224 JSQSGWUHMGQHCR-ZIAGYGMSSA-N 315.373 -0.549 30 20 DBED C=CCN1CCC2(CC1)C[C@H]2NC(=O)Cn1c(O)nnc1O 1016948035 OFJXURMLBLIDSX-SNVBAGLBSA-N 307.354 -0.154 30 20 DBED C[C@H](C#N)C(=O)N1CCCO[C@H](CNC(=O)c2ccnnc2)C1 1019684964 OZXNDHAITQLADI-DGCLKSJQSA-N 317.349 -0.016 30 20 DBED C[C@H]1[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)CCN1C(=O)C#CC1CC1 1020250562 PFWZQFXMUAWVQI-RYDUCSDGSA-N 303.362 -0.373 30 20 DBED C=CCN(C)[C@H]1CCCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 1027683148 DFTUBWUGZJORJX-RYUDHWBXSA-N 301.412 -0.213 30 20 DBED C#CCN1C[C@@H]2C[C@H]1CN2C(=O)CC[C@H]1CC[C@@H](C(N)=O)O1 1032526140 NXHZISIBYRMRQW-FQUUOJAGSA-N 305.378 -0.282 30 20 DBED CN(C(=O)CN1C(=O)CC(C)(C)C1=O)[C@@H]1CCN(CC#N)C1 1033078990 SMOHFUJFWIHKSD-LLVKDONJSA-N 306.366 -0.172 30 20 DBED C#CCCN1CCO[C@@H](CNC(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1 1035373638 UITPZBOQDNYLCN-HZSPNIEDSA-N 307.394 -0.259 30 20 DBED CC#CCN1CCO[C@@H](CNC(=O)c2ccc(=O)n(C)n2)C1 1035598364 WPWVJKRFLLHZIU-LBPRGKRZSA-N 304.350 -0.766 30 20 DBED N#CCN1CCO[C@@H](CNC(=O)c2cccnc2C(N)=O)C1 1035610085 LBFFSIVPXRPCQI-JTQLQIEISA-N 303.322 -0.865 30 20 DBED CC#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1c(O)nnc1O 1039464778 VXAOBEXIZMVCSD-NEPJUHHUSA-N 319.365 -0.222 30 20 DBED COCC(=O)N1CC[C@@H]2OCCN(c3ccc(C#N)nn3)[C@H]2C1 1039990856 ZGBGIHVUTHHBNT-STQMWFEESA-N 317.349 -0.199 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC[C@@](O)(CNC(=O)c2cnco2)C1 1040389379 YEAVVCMWAXWYRP-LSDHHAIUSA-N 323.349 -0.305 30 20 DBED C[C@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)CCCCC(N)=O)C1 1040760951 QSHQQYDLYIIGKY-IAQYHMDHSA-N 324.381 -0.729 30 20 DBED N#Cc1cncc(N2C[C@@H](O)[C@H](NC(=O)Cc3ccoc3)C2)n1 1040997217 AWIJRFUWWOYZBZ-CHWSQXEVSA-N 313.317 -0.150 30 20 DBED C#Cc1cncc(C(=O)N2CC(O)(CNC(=O)CCOC)C2)c1 1041070454 VOTIMBXSHKSRAW-UHFFFAOYSA-N 317.345 -0.598 30 20 DBED C#CCCN1CC[C@@]2(CCN(C(=O)[C@H]3CN(C)C(=O)N3)C2)C1 1041544423 NPQLMWNYOMIKBO-CZUORRHYSA-N 304.394 -0.042 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)c2c(C)nnn2CC)C1 1041960861 YATVLEHPOGSEII-UHFFFAOYSA-N 321.381 -0.124 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)c2cnc(C)[nH]2)C1 1042078395 FQBUFXLFLPNZPF-UHFFFAOYSA-N 304.350 -0.175 30 20 DBED CCc1ocnc1C(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1042227465 XYOWBFWUHCBFRG-UHFFFAOYSA-N 317.345 -0.047 30 20 DBED O=C(C[C@H]1CCCOC1)NCC1(O)CN(C(=O)C#CC2CC2)C1 1043145097 WGOQWYZVAGVXSW-CQSZACIVSA-N 320.389 -0.094 30 20 DBED C=C(C)CCC(=O)NCC1(O)CN(C(=O)[C@@H](C)CC(N)=O)C1 1043314829 JBRFOHMBLIXZJM-NSHDSACASA-N 311.382 -0.456 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)Cc2cnc(C)o2)C1 1043449745 ABXLITTVCQMHPK-UHFFFAOYSA-N 323.349 -0.582 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)C(C)(C)C(N)=O)C1 1043468647 HDCGFQZRIBWMKH-UHFFFAOYSA-N 311.382 -0.600 30 20 DBED C=C(C)CCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCC(=O)NC2)C1 1043798531 RGUGXGOHOSAOSH-GFCCVEGCSA-N 323.393 -0.442 30 20 DBED N#Cc1nccnc1N1C[C@H](O)[C@H](NC(=O)[C@@H]2CCCOC2)C1 1043868417 CHWIHVWEPPFNAN-RTXFEEFZSA-N 317.349 -0.559 30 20 DBED COCCC[C@H](C)C(=O)N1CC(O)(CNC(=O)[C@@H](C)C#N)C1 1045550907 BPIKCTLTUXZNJR-RYUDHWBXSA-N 311.382 -0.102 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)[C@H](C)c2ccnn2C)C1 1045558919 CPVJPLPDCXBFGS-GHMZBOCLSA-N 319.365 -0.627 30 20 DBED Cn1cnc(C(=O)N2CCN([C@@H]3CCN(CC#N)C3)CC2)c1 1046019820 KTZAWUCFXPSPAF-CYBMUJFWSA-N 302.382 -0.224 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)CCN(C)CC)C1 1046530779 DFFBYZSJUSKPQG-UHFFFAOYSA-N 313.398 -0.780 30 20 DBED N#Cc1ccc(N[C@H]2C[C@H](CNC(=O)[C@H]3CNC(=O)N3)C2)nn1 1047009767 SNRWLMCTRRLNQG-FBIMIBRVSA-N 315.337 -0.664 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)C(=O)N2CC[C@H](C)C2)C1 1047592830 JXAPHCFHDVLGED-IHRRRGAJSA-N 307.394 -0.618 30 20 DBED C[C@@H](NC(=O)C(N)=O)[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 1050491991 PWIIKRLCKTVVLJ-BDAKNGLRSA-N 303.322 -0.662 30 20 DBED CC#CCN1CCC2(CC1)CN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)C2 1050661016 MKVHQTGZVBGFGW-UONOGXRCSA-N 319.405 -0.033 30 20 DBED C#CCOCCC(=O)N1CC[C@H]([C@H](C)NC(=O)CNC(N)=O)C1 1050728010 IOQIXQJUJITSMI-RYUDHWBXSA-N 324.381 -0.952 30 20 DBED CC#CCN1CCOC[C@H]1CNC(=O)c1ccnn1CCOC 1050973668 HTOKNRWZHJWUMW-CQSZACIVSA-N 320.393 -0.017 30 20 DBED C#CCCN1CCOC[C@H]1CNC(=O)[C@@H]1CN(C(C)=O)CCO1 1051232964 YJHSUKYGGBRXNR-CABCVRRESA-N 323.393 -0.926 30 20 DBED CC#CCN1CCC[C@@H](NC(=O)Cn2c(O)nnc2O)CC1 1052899261 QNUQCMGCTIFEKE-LLVKDONJSA-N 307.354 -0.317 30 20 DBED C#CCN1CC2(C1)CN(C(=O)c1c(O)nnc(C)c1C)CCO2 1053366491 KNXHTUNALFWLDJ-UHFFFAOYSA-N 316.361 -0.041 30 20 DBED CC(=O)N1CC[C@@H](C(=O)NC[C@@H]2CCC3(CN(CC#N)C3)O2)C1 1053689917 FNTMFTOACGSHMV-KGLIPLIRSA-N 320.393 -0.272 30 20 DBED COc1ncc(C(=O)N[C@@H]2COC3(C2)CN(CC#N)C3)cn1 1053972428 FDWLMNNAHKUXDQ-NSHDSACASA-N 303.322 -0.418 30 20 DBED C=CCOCC(=O)N1C[C@@H]2CN(C(=O)C(C)(C)C(N)=O)C[C@@H]2C1 1055249943 HMZJOCQJNZBCFG-TXEJJXNPSA-N 323.393 -0.383 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCC[C@@](CO)(NC(=O)COC)C1 1055705041 FKZUDQWUZQWZME-LSDHHAIUSA-N 314.382 -0.570 30 20 DBED C=C[C@@](C)(O)CC(=O)N1C[C@@H]2CCCN(C(=O)CC(N)=O)[C@@H]2C1 1056634996 XBMSAMKBEDJPQE-HWWQOWPSSA-N 323.393 -0.362 30 20 DBED CC(C)(F)C(=O)NCCN(CCO)C(=O)CSCC#N 1057026576 DPVDTOUIBKFWTR-UHFFFAOYSA-N 305.375 -0.072 30 20 DBED C=CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)c1n[nH]cc1C 1057532189 FTXWHVDYJIGGRN-LBPRGKRZSA-N 324.381 -0.140 30 20 DBED O=C(NCCN(CCO)C(=O)C#CC1CC1)c1ncccn1 1057533753 VJHYTCUQLJTQCD-UHFFFAOYSA-N 302.334 -0.559 30 20 DBED CC(=O)NCC(=O)NCCN(CCO)C(=O)C#CC(C)(C)C 1057539226 SJLMIZIPDHQMGM-UHFFFAOYSA-N 311.382 -0.891 30 20 DBED C#CCOCCC(=O)N(CCO)CCNC(=O)c1ccc[nH]1 1057580507 CVMKIKVLHQCPDG-UHFFFAOYSA-N 307.350 -0.395 30 20 DBED N#Cc1nccnc1N[C@H]1CCCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 1057759996 DWLLZARRHBVQSU-AXFHLTTASA-N 314.349 -0.127 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)[C@H](C1CC1)N(C)C 1057876946 VTKFEBLVPZJSJE-YPMHNXCESA-N 310.398 -0.577 30 20 DBED C=CCCOCC(=O)N(CCO)CCNC(=O)[C@H](O)C(C)C 1057919247 SFXSTWZAXZVCLZ-CQSZACIVSA-N 316.398 -0.467 30 20 DBED N#Cc1cncc(N2CC[C@H](NC(=O)c3cc[n+]([O-])cc3)C2)n1 1058276233 AJBNNINNZIUKIR-LBPRGKRZSA-N 310.317 -0.010 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)CCCCC(N)=O 1058834294 SALNWVHABVYHRG-LLVKDONJSA-N 312.370 -0.871 30 20 DBED N#Cc1nccnc1N[C@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 1059066838 CTOKPCGKTSQULG-AEJSXWLSSA-N 300.322 -0.518 30 20 DBED C[C@@]1(C(=O)N[C@H]2C[C@H](Nc3ccc(C#N)nn3)C2)CNC(=O)C1 1059354936 AEEFNWXWCXTAJL-PGUXBMHVSA-N 314.349 -0.066 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC[C@H](CCNC(=O)CC(N)=O)C1 1059555192 OILOYMZIPRDUCC-NHYWBVRUSA-N 311.382 -0.456 30 20 DBED CC#CCCCC(=O)N1CCOC[C@@H]1CNC(=O)CNC(N)=O 1061258744 KUCGTMCXYMWSOZ-LBPRGKRZSA-N 324.381 -0.808 30 20 DBED N#Cc1cnc(N2CCC[C@H]2CNC(=O)[C@@H]2COC(=O)N2)cn1 1061353901 TYZINXDUXMXTMB-QWRGUYRKSA-N 316.321 -0.458 30 20 DBED C=CCOCC(=O)NC[C@H]1COCCN1C(=O)c1cnon1 1061425562 DWTDCVVWDGQUHT-JTQLQIEISA-N 310.310 -0.771 30 20 DBED C=CCOCC(=O)NCC1(NC(=O)[C@H](C)NC(N)=O)CCC1 1062702764 CKDLFSZRBUNKOD-JTQLQIEISA-N 312.370 -0.599 30 20 DBED C=CCCC(=O)NC1(CNC(=O)C[C@@H]2NC(=O)NC2=O)CCC1 1063477299 FPXZOWYHVMYKJS-JTQLQIEISA-N 322.365 -0.294 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)c2cnn(C)c2N)CCC1 1064302376 IKYLAYJNWOIODM-SECBINFHSA-N 304.354 -0.069 30 20 DBED C[C@H]1C[C@@H](N=c2cc[nH]c(C#N)n2)CCN1C(=O)c1nc[nH]n1 1064793935 ZIKQLPSLXBFHBI-UWVGGRQHSA-N 312.337 -0.007 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H]1CN(C(=O)c2cocn2)CCO1 1064971235 XGNWKJXJLBFMJZ-VXGBXAGGSA-N 321.333 -0.330 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)[C@H]2CCCNC2=O)CCO1 1065263098 RPGNDGGNKXGVQO-STQMWFEESA-N 323.393 -0.178 30 20 DBED N#Cc1nccc(N2CCOC[C@@H]2CNC(=O)[C@@H]2CCCO2)n1 1066457948 WOHHYVUUVBZKAI-RYUDHWBXSA-N 317.349 -0.151 30 20 DBED CN(C)CCC(=O)N1CC2(C[C@@H](NC(=O)C#CC3CC3)CO2)C1 1068863334 UJNSOXWJMBPRDW-CQSZACIVSA-N 319.405 -0.162 30 20 DBED Cn1c(C(=O)NCc2cnn3c2CN(CC#N)CC3)cnc1O 1069870173 XBTXOYPTIGBUHW-UHFFFAOYSA-N 315.337 -0.409 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2ncoc2C)C1 1069900901 BOZWTPRXUHYOQF-NEPJUHHUSA-N 300.322 -0.137 30 20 DBED C=CCN[C@@H]1CN(C(=O)Cn2cncn2)C[C@@H]1n1ccnn1 1070322153 QVKDNFLVROQFAH-NEPJUHHUSA-N 302.342 -0.903 30 20 DBED CC(=O)NCC(=O)N1CCC[C@@H](NC(=O)CSCC#N)C1 1070369172 LUBLXEHCRMSDPV-LLVKDONJSA-N 312.395 -0.514 30 20 DBED C=CCN[C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1c1cncn1C 1070642936 CGQPIFJESPBKGZ-VXGBXAGGSA-N 315.381 -0.068 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)[C@H]4CCC(=O)N4)C[C@@]3(C1)O2 1070776258 HQNKGACLCQZPCW-BRXULGCHSA-N 303.362 -0.800 30 20 DBED Cn1cncc1CC(=O)N1C[C@@H]2C[C@@H]3CN(CC#N)C[C@]2(C1)O3 1070879614 WHYRAYGQEFROEO-JGGQBBKZSA-N 315.377 -0.212 30 20 DBED C=C1CC(C)(C(=O)N2C[C@@H](NC(=O)CNC(N)=O)[C@H](C)C2)C1 1072698406 LWNYVPQKGMWQIW-GHMZBOCLSA-N 308.382 -0.026 30 20 DBED Cn1cc(C(N)=O)cc1C(=O)N1CC2(CCN(CC#N)C2)C1 1072896697 CGSAJNAXODODEE-UHFFFAOYSA-N 301.350 -0.205 30 20 DBED C=C(C)CN1CCCO[C@@H](CNC(=O)C2CS(=O)(=O)C2)C1 1073620920 RGDGESITVUTPRJ-ZDUSSCGKSA-N 316.423 -0.186 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)c2ccc(=O)n(C)c2)C1 1073670691 LUZPAHKPZLOTQO-AWEZNQCLSA-N 303.362 -0.161 30 20 DBED CC#CCN1CCO[C@@H]2CCN(C(=O)CCn3cnnn3)C[C@H]21 1074369425 WHZVHRWQBJWUIQ-ZIAGYGMSSA-N 318.381 -0.612 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(C(=O)c2nnn(C)n2)[C@H](C)C1 1074882460 WTCNEDMRGPXEKF-GHMZBOCLSA-N 322.369 -0.478 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC[C@H](C)NC(=O)[C@H](C)NC(N)=O 1076300433 JTAFXKMGNWBMML-PKFCDNJMSA-N 314.386 -0.619 30 20 DBED C#CCN1C[C@@H]2CCN(C(=O)CC[C@@H]3NC(=O)NC3=O)[C@@H]2C1 1076547678 FWZQVDHMMKAANA-SDDRHHMPSA-N 304.350 -0.860 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)c1cc[nH]c1 1076873016 CGZRKAWLDRNWAT-NSHDSACASA-N 304.350 -0.221 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)Cc2c(CC)nn(C)c2CC)C1 1077148294 HTSASTOXULYNOA-GDBMZVCRSA-N 318.421 -0.118 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 1077687534 QQUCULJIAQHJDK-REWJHTLYSA-N 309.410 -0.162 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2Cc3cccc(F)c3O2)C1 1078206720 DYOCHBPWAGVEJD-JHJVBQTASA-N 305.309 -0.186 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2ccc3nc(O)oc3c2)C1 1078232987 BIDWSXOHQRYWNU-GHMZBOCLSA-N 302.290 -0.168 30 20 DBED C#CCNC(=O)CC(=O)N(CC)C1CN(C(=O)[C@@H](CC)OC)C1 1079644851 VETOVYHPFLOZCR-CYBMUJFWSA-N 323.393 -0.390 30 20 DBED C=CCCC(=O)N1CC(N(CC)C(=O)Cn2ncn(C)c2=O)C1 1080041602 CPFLWMPYUZRKIA-UHFFFAOYSA-N 321.381 -0.393 30 20 DBED CC(=O)NCC(=O)N1CCC(CO)(NC(=O)C#CC(C)C)CC1 1080850806 HHHVPXWTSHJZCJ-UHFFFAOYSA-N 323.393 -0.748 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)c2cncn2C)C[C@H]1O 1081337681 HPVYSHJSZBGOGD-WCQYABFASA-N 306.366 -0.065 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2oncc2C)C[C@@H]1O 1081344710 UAKIEOQPBXDDFL-RYUDHWBXSA-N 323.349 -0.265 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](CNC(=O)Cc2nc[nH]n2)C1 1081794860 VFWFYPXUNMXVHX-GHMZBOCLSA-N 321.381 -0.505 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2CN([C@H](C)C(N)=O)C[C@H]2OC)c1 1082117300 WXYURAYHLUJXMB-LERXQTSPSA-N 316.361 -0.634 30 20 DBED CNC(=O)NCC(=O)N1CCCC[C@H]1CNC(=O)[C@H](C)C#N 1082121155 HKZNMPBIWFNZRT-MNOVXSKESA-N 309.370 -0.428 30 20 DBED C=CCn1cc(C(=O)N2C[C@@H](N[C@H](C)C(N)=O)[C@H](C)C2)nn1 1082791206 GBHAYRKREAOBCD-GMTAPVOTSA-N 306.370 -0.612 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H]2CN(Cc3cnn(C)n3)C[C@@H]21 1083026424 ZREFRDZMDNIYKM-KGYLQXTDSA-N 304.354 -0.614 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)c2cn(C3CCC3)nn2)C1 1083466026 CNPADIUPXGZPRR-OCCSQVGLSA-N 303.366 -0.199 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2ccc3c(c2)CCC(=O)N3)C1 1083623987 JEDSBXVVFVARRZ-KGLIPLIRSA-N 314.345 -0.130 30 20 DBED Cc1cc2ncc(C(=O)N[C@@H]3CN(CC#N)C[C@@H]3O)c(C)n2n1 1083685000 XPNLETGAFDXFHO-OLZOCXBDSA-N 314.349 -0.355 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1 1083858556 IGQBIFZBVLMCOO-NEPJUHHUSA-N 309.366 -0.833 30 20 DBED C#CCCN1CC[C@@H]2CN(C(=O)CC3CS(=O)(=O)C3)[C@@H]2C1 1084466989 LURKAUVUHCWVER-ZIAGYGMSSA-N 310.419 -0.023 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)[C@H]3CCCN(C(N)=O)C3)[C@@H]2C1 1084498769 JJGUFJDNUNYJDS-HZSPNIEDSA-N 304.394 -0.057 30 20 DBED C=CCN1CC[C@H](NC[C@@H]2C[C@H](C)CCN2C(=O)C(N)=O)C1=O 1087207695 RMUIKGDSAUCBDK-AGIUHOORSA-N 322.409 -0.525 30 20 DBED C#CCN1C[C@@H](NC(=O)Cn2ncnn2)CC2(CCOCC2)C1 1089939754 XVKOYPXBUWUAIM-ZDUSSCGKSA-N 318.381 -0.706 30 20 DBED CCC(=O)NCC(=O)N1CC[C@H](N=c2cc[nH]c(C#N)n2)[C@@H]1C 1090206985 UWWKQRCQVCPANP-QWRGUYRKSA-N 316.365 -0.302 30 20 DBED N#Cc1cnccc1N1C[C@@H]2CCN(C(=O)CNC(N)=O)[C@@H]2C1 1090289470 ZVTIBDBACIUMCO-GXFFZTMASA-N 314.349 -0.341 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2cnn3ncccc23)[C@@H](O)C1 1090332227 UHDCBMFKSNKUBK-HIFRSBDPSA-N 313.361 -0.082 30 20 DBED C#CCN1CC[C@H](NC(=O)c2nc(C)c(C)[nH]c2=O)[C@@H](O)C1 1090352981 UJIMZZSZAOHYDF-RYUDHWBXSA-N 304.350 -0.815 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1C 1090688754 GMRJZDVUAOKION-MWLCHTKSSA-N 302.338 -0.575 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2nc3nccc(C)n3n2)[C@H](O)C1 1090774880 NAMQSZBJHQOXFF-VXGBXAGGSA-N 314.349 -0.769 30 20 DBED C=C(C)CCN1CC[C@H](NC(=O)CN2C(=O)CCC2=O)[C@H](O)C1 1090796541 PPILONZSSAMCJC-QWHCGFSZSA-N 323.393 -0.347 30 20 DBED C[C@@]12CN(CC(N)=O)C[C@@H]1CN(C(=O)c1ccc(C#N)[nH]1)C2 1091607177 UBFWPLHNCOTJQL-BMIGLBTASA-N 301.350 -0.234 30 20 DBED C#CCCN1C[C@@H]2CN(C(=O)c3nnc(O)nc3O)C[C@]2(C)C1 1091823924 LUWRIJFEDLYPRN-BMIGLBTASA-N 317.349 -0.300 30 20 DBED COCC(=O)N(C)CCOCCN(C)c1cnc(C#N)cn1 1091873257 HWGKCCRFUHZLDS-UHFFFAOYSA-N 307.354 -0.094 30 20 DBED C[C@H](NC(N)=O)C(=O)NC1[C@H]2CN(c3ccncc3C#N)C[C@H]12 1093258527 MKISXCLHZZYSKH-LSJOCFKGSA-N 314.349 -0.439 30 20 DBED N#Cc1nccc(N2C[C@H]3[C@H](NC(=O)C4(C(N)=O)CC4)[C@H]3C2)n1 1093355981 ITQJYCHQHUAVAR-GDGBQDQQSA-N 312.333 -0.835 30 20 DBED CC(C)(C)[C@@H](NC(N)=O)C(=O)NCCNc1nccnc1C#N 1093745412 YYWAGTHRMNWIDE-JTQLQIEISA-N 319.369 -0.041 30 20 DBED N#Cc1cnc(NCCNC(=O)CCCn2ccnn2)cn1 1093930001 KCZZZTOPAFCYNQ-UHFFFAOYSA-N 300.326 -0.052 30 20 DBED N#CCSCC(=O)N[C@@H]1CCN(c2nccn3nnnc23)C1 1096329001 LQMFYRBSSFYXJK-SECBINFHSA-N 318.366 -0.529 30 20 DBED CCS(=O)(=O)CC(=O)N[C@@H]1CCN(c2nccnc2C#N)C1 1096387914 CSWSHGRZEOFNFZ-SNVBAGLBSA-N 323.378 -0.522 30 20 DBED N#Cc1nccnc1N[C@H]1C[C@@H](NC(=O)C(=O)NCC2CC2)C1 1097209461 CLHUJZOZOYYFAY-PHIMTYICSA-N 314.349 -0.066 30 20 DBED C[C@@H](CNC(=O)C[C@@H]1CCC(=O)N1)Nc1ccc(C#N)nn1 1097950730 VBUAZQQTIKNYLO-UWVGGRQHSA-N 302.338 -0.066 30 20 DBED CC(=O)N1CC[C@H](C(=O)NC[C@H](C)N=c2cc[nH]c(C#N)n2)C1 1097986561 CXEQAVACXWDZOF-JQWIXIFHSA-N 316.365 -0.445 30 20 DBED COCC(=O)N[C@@H](C)C(=O)NC[C@@H](C)Nc1cncc(C#N)n1 1098345596 BWSZVNBPQKDIBE-ZJUUUORDSA-N 320.353 -0.584 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCC(=O)NC1)N=c1cc[nH]cc1C#N 1098397894 WFSHZZWACGUQRZ-QWRGUYRKSA-N 301.350 -0.182 30 20 DBED C=CCN(CCO)C1CCN(C(=O)[C@H]2CCCNC2=O)CC1 1098399922 WUNFDLVWISRSMD-AWEZNQCLSA-N 309.410 -0.016 30 20 DBED C#CCCN1C[C@@H]2CCC[C@]2(NC(=O)Cn2c(O)nnc2O)C1 1099138609 LTCUZKVTLJLPBE-NHYWBVRUSA-N 319.365 -0.317 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2cnnc(C)c2)[C@@H](O)C1 1099792666 XTCYDEDNZZIHQO-CABCVRRESA-N 318.377 -0.400 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCN(Cc2n[nH]c(C)n2)C[C@H]1O 1099832384 GXSBHUSKAOCWNB-CHWSQXEVSA-N 321.381 -0.796 30 20 DBED CC#CCCCC(=O)N[C@H]1CCN(CCOCCO)C[C@@H]1O 1099961775 CJTHYSOQIZQTNG-GJZGRUSLSA-N 312.410 -0.260 30 20 DBED C#CCN1CC[C@H](NC(=O)CNC(=O)C(CC)CC)[C@@H](O)C1 1100148787 UMFZAWLEIZSJCG-KBPBESRZSA-N 309.410 -0.277 30 20 DBED Cc1ccc(C#N)c(N(C)CCNC(=O)[C@H]2CNC(=O)N2)n1 1100308537 GUXYYDHSGDYILI-LLVKDONJSA-N 302.338 -0.505 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)Cc2cnoc2)C1 1100603116 XIUKMOMBJKPVMH-UHFFFAOYSA-N 304.350 -0.549 30 20 DBED N#Cc1cnc(N2CC[C@H](CNC(=O)CC(N)=O)C2)c(F)c1 1100948274 MCSYCYTYHXONNG-SECBINFHSA-N 305.313 -0.090 30 20 DBED Cc1cc(=NCCN(C)C(=O)Cn2cnnn2)c(C#N)c[nH]1 1101495731 YKRARFNNDPYLFW-UHFFFAOYSA-N 300.326 -0.759 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)[C@@H]1[C@H]2COC[C@H]21 1104159626 XJDKRFNPWMIQDR-PUHVVEEASA-N 301.350 -0.173 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)CNc1ccc(C#N)nn1 1104177083 LTECMFNJMIRNBP-KOLCDFICSA-N 317.353 -0.464 30 20 DBED CC(C)N(C)CC(=O)N1CC(n2cc(CNCC#N)nn2)C1 1105377178 SIFZCBRPIJEPIW-UHFFFAOYSA-N 305.386 -0.385 30 20 DBED C#CCN1CC(OC2CCN(C(=O)CC(=O)NCC)CC2)C1 1105703648 GGPWPXSTZYHTFY-UHFFFAOYSA-N 307.394 -0.162 30 20 DBED CCCOCC(=O)NC[C@H](O)CN=c1cc(C)[nH]cc1C#N 1105732115 JJWAZKWDJCBADJ-CYBMUJFWSA-N 306.366 -0.001 30 20 DBED Cc1cc(C(=O)NC[C@@H](O)CN=c2cc[nH]cc2C#N)ncn1 1105788153 GATNWSIIXILPCZ-LBPRGKRZSA-N 312.333 -0.324 30 20 DBED C=CCO[C@H](C)C(=O)NC[C@@H](O)CNc1cncc(C#N)n1 1105892221 SGIUGZNXJMSEKN-PWSUYJOCSA-N 305.338 -0.172 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H](O)CNc1cc(C)nc(CO)n1 1105970526 JACBZAYZXKOKRX-NEPJUHHUSA-N 322.365 -0.795 30 20 DBED CN(C)CCCC(=O)NC[C@H](O)CNc1nccnc1C#N 1106075843 LSRGWWLTHMVIJT-NSHDSACASA-N 306.370 -0.421 30 20 DBED CC#CCN1CC(n2cc(CNC(=O)Cn3cccn3)nn2)C1 1107127231 XPCLMUQUMCJDSX-UHFFFAOYSA-N 313.365 -0.329 30 20 DBED N#Cc1cncc(NC/C=C\CNC(=O)CN2CCOCC2)n1 1107134099 RAOGFVRLLYRHST-UPHRSURJSA-N 316.365 -0.235 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)c1ccc(=O)n(C)n1 1107752615 DEAUWOBATQNTOI-SECBINFHSA-N 313.321 -0.906 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)Cn2ccc(C)cc2=O)C1 1108249304 AGLGBCRDEICQPL-KRWDZBQOSA-N 317.389 -0.003 30 20 DBED COCCCC(=O)N1CCN(CC#N)[C@H]2CS(=O)(=O)C[C@H]21 1108460385 XIDVLPMBVXDICN-NWDGAFQWSA-N 315.395 -0.754 30 20 DBED C[C@@H](CN=c1cc[nH]cc1C#N)NC(=O)[C@H]1CC(=O)N(C)C1 1108748659 WLVVNJUCQNILDH-QWRGUYRKSA-N 301.350 -0.230 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1110545997 INKGSNUTXWFQDY-DGAVXFQQSA-N 318.377 -0.614 30 20 DBED C[C@H](C#N)C(=O)N[C@@]1(CO)CCCN(c2ccc(C#N)nn2)C1 1111342498 AGYYGNLEVAZBBV-ABAIWWIYSA-N 314.349 -0.045 30 20 DBED N#Cc1c[nH]ccc1=NCC1(NC(=O)CC(N)=O)CCOCC1 1112245083 ADKKXYBAAKINJO-UHFFFAOYSA-N 317.349 -0.672 30 20 DBED CC(=O)N(C)CC(=O)N1C[C@@H](C)[C@@H](N=c2cc[nH]c(C#N)n2)C1 1112307388 XUKNTKSIWWEILU-PWSUYJOCSA-N 316.365 -0.493 30 20 DBED CN(C)CCC(=O)NC[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1O 1112754738 GEFTWHBSNGAAJJ-DGCLKSJQSA-N 318.381 -0.787 30 20 DBED C#CCO[C@H](C)C(=O)N1CCN(CCCS(C)(=O)=O)CC1 1112841932 RPJCQWVVIOOPEP-CYBMUJFWSA-N 316.423 -0.396 30 20 DBED COCC#CCN1CCN(C(=O)Cn2cccc(C)c2=O)CC1 1112849816 KKHQJFNPWPPJKK-UHFFFAOYSA-N 317.389 -0.049 30 20 DBED C[C@H](NC(=O)Cn1cnnn1)[C@H](C)Nc1ccc(C#N)cn1 1112906197 XRDCBAIJZKYTRL-UWVGGRQHSA-N 300.326 -0.055 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)c2cc(OCC)n[nH]2)CC1 1112999711 AAMLDBMPUOMUSH-UHFFFAOYSA-N 321.381 -0.132 30 20 DBED C=CCN(CC=C)C(=O)CN1CCN(C(=O)c2cnn[nH]2)CC1 1113064203 XHRLOLPKTPOSLX-UHFFFAOYSA-N 318.381 -0.237 30 20 DBED CNC(=O)NCC(=O)N[C@@H](C)[C@H](C)N=c1cc(C)[nH]cc1C#N 1113349603 GSWLAXLOMSUFQA-QWRGUYRKSA-N 318.381 -0.082 30 20 DBED C[C@@H](CNC(=O)Cn1cnnn1)N(C)c1ccc(C#N)nc1 1113486525 BAUIJQYGSSXIQB-JTQLQIEISA-N 300.326 -0.419 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H](C)N(C)c1cnc(C#N)cn1 1113566934 FHBJMFQXLSABEA-NSHDSACASA-N 314.349 -0.571 30 20 DBED C[C@H](CNC(=O)[C@H]1CCNC(=O)C1)N(C)c1cncc(C#N)n1 1113574887 IOCQFZYXMGPCLL-MNOVXSKESA-N 316.365 -0.185 30 20 DBED C=CCCOCC(=O)N1CCN([C@H]2CCC(=O)NC2=O)CC1 1113709492 SIJKSTKARUWUKH-LBPRGKRZSA-N 309.366 -0.472 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CCN(C)C1=O)N(C)c1ccnc(C#N)n1 1113827091 SHEBONSMOKJSBE-QWRGUYRKSA-N 316.365 -0.233 30 20 DBED C[C@@H]1CCN(c2ccc(C#N)nc2)C[C@H]1NC(=O)CNC(N)=O 1113998478 YLVGYMDWJBIXGX-ZWNOBZJWSA-N 316.365 -0.047 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@@H]3CCCOC3)[C@H]2C1 1114028247 PUXWSGLYNNAUQY-CXTNEJHOSA-N 307.394 -0.238 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1[C@@H]2CN(CCOC3CCC3)C[C@@H]21 1114160456 YMDHKBVIVRZVNM-HALDLXJZSA-N 319.405 -0.259 30 20 DBED C[C@H](C(=O)NC(N)=O)N1C[C@@H]2C(NC(=O)C#CC(C)(C)C)[C@H]2C1 1114245382 KHRFADAUZMEFIJ-VWYCJHECSA-N 320.393 -0.334 30 20 DBED C=C1CCC(C(=O)N[C@H]2[C@@H]3CN(CC(=O)NC(N)=O)C[C@@H]32)CC1 1114777168 ZGZXTXKZTGYFHA-IMRBUKKESA-N 320.393 -0.026 30 20 DBED CCN(CC)S(=O)(=O)CC(=O)N[C@H]1[C@@H]2CN(CC#N)C[C@@H]21 1114904579 XCMPEUYTQBSLGS-PJXYFTJBSA-N 314.411 -0.772 30 20 DBED C=CCOCCN1C[C@H]2C(NC(=O)c3ccc(=O)n(C)n3)[C@@H]2C1 1115207569 UEXKMLRNWDGODT-VXGBXAGGSA-N 318.377 -0.357 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)CN3CCCC3)[C@H]2C1 1115242917 GGBOQJIHRGBLHS-TTZDDIAXSA-N 320.437 -0.181 30 20 DBED C[C@H](CN(C)C(=O)[C@H]1CCC(=O)N1)N=c1cc[nH]cc1C#N 1115656179 CDYFHLANIMTHFC-ZWNOBZJWSA-N 301.350 -0.087 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N[C@H](COC)[C@@H]1CCCO1 1117544962 SMRYCWBAZSLKRR-UTUOFQBUSA-N 300.355 -0.386 30 20 DBED C=C[C@H](COC)NC(=O)N(C)[C@H]1CCN(S(C)(=O)=O)C1 1117714391 ZEWKGNDGKQAFCN-MNOVXSKESA-N 305.400 -0.137 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CCOC[C@@H]2C2CC2)nn1 1118178037 DFKGCQICAUTEHE-CYBMUJFWSA-N 319.365 -0.282 30 20 DBED COC(=O)CN(CC#N)C(=O)CCc1ocnc1C(=O)OC 1118617873 ASGDYMWNBABXGU-UHFFFAOYSA-N 309.278 -0.081 30 20 DBED CC(=O)N[C@@H](C)C(=O)NC[C@H](CO)Nc1ccc(C#N)nc1 1121009891 GBZOPEFJKJMFPU-TVQRCGJNSA-N 305.338 -0.633 30 20 DBED CCNC(=O)CC(=O)NC[C@@H](CO)N=c1cc(C)[nH]cc1C#N 1121463987 ISZADVHXZLOFBU-LBPRGKRZSA-N 319.365 -0.901 30 20 DBED Cc1c[nH]nc1C(=O)NC[C@@H](CO)Nc1nccnc1C#N 1121529323 XSWAMYHQQYNXLK-VIFPVBQESA-N 301.310 -0.417 30 20 DBED COCCCOCC(=O)NC[C@H](CO)N=c1cc[nH]cc1C#N 1122053242 WVTZHALDQPMBBM-CYBMUJFWSA-N 322.365 -0.683 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)[C@H]2CCCC(=O)N2)cn1 1122176776 BCFQWSOIVZCADP-CHWSQXEVSA-N 317.349 -0.489 30 20 DBED N#Cc1c(F)cccc1N[C@@H](CO)CNC(=O)[C@H]1CCNC1=O 1122353576 BUSSXVPAABILFZ-ZJUUUORDSA-N 320.324 -0.278 30 20 DBED CCc1ncoc1C(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1 1122501599 XLFPUVGAAQMBJP-VIFPVBQESA-N 316.321 -0.477 30 20 DBED C#Cc1cncc(C(=O)NC[C@@H](CO)N=c2cc[nH]c(C#N)n2)c1 1122507474 AQYXKORDOQXDJQ-ZDUSSCGKSA-N 322.328 -0.651 30 20 DBED C[C@@H]1CCCN1CC(=O)NC[C@H](CO)N=c1cc[nH]cc1C#N 1122526496 LADDVPJAQSDULR-TZMCWYRMSA-N 317.393 -0.252 30 20 DBED C=CCn1cc(C(=O)NC[C@H](CO)Nc2nc(C)ns2)nn1 1122637053 QJLYUADTBXTTDJ-SECBINFHSA-N 323.382 -0.173 30 20 DBED CN1CCCC[C@@H]1C(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1 1122860067 BBFISXSAAFZTGB-NWDGAFQWSA-N 318.381 -0.857 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)C[C@@H]1CCCO1 1124032291 AZFYCUBVMUTEGP-NSHDSACASA-N 312.370 -0.727 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]cc1C#N)C(=O)c1cc[nH]n1 1124047723 WKUCAJCBDJAJLM-LLVKDONJSA-N 300.322 -0.357 30 20 DBED CN(C[C@H](O)CNc1ccc(C#N)nn1)C(=O)Cc1cc[nH]n1 1124184427 HOWDCZZPPYMIQN-GFCCVEGCSA-N 315.337 -0.455 30 20 DBED N#Cc1ccc(CNCCNC(=O)Cn2ncnn2)c(F)c1 1127433103 FAGOOPBDXXPIPH-UHFFFAOYSA-N 303.301 -0.410 30 20 DBED N#Cc1nccnc1N1CC=C(CNC(=O)Cc2nc[nH]n2)CC1 1127690327 LYFIBSGFGWGYKW-UHFFFAOYSA-N 324.348 -0.038 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)Cc2ccn(CC)n2)C1=O 1127725944 OLXRJQRXNWDPGC-CQSZACIVSA-N 319.409 -0.062 30 20 DBED C#CCNCc1nnc2n1CC[C@H](NC(=O)[C@H](O)C(C)C)CC2 1127985455 XRZQSLKMZBNONB-IUODEOHRSA-N 319.409 -0.161 30 20 DBED N#CCN1CCn2ncc(CNC(=O)C[C@@H]3COC(=O)C3)c2C1 1128295789 WPPFJQGGENGYOL-NSHDSACASA-N 317.349 -0.208 30 20 DBED C=CCN1CCn2ncc(CNC(=O)CC(=O)N(C)C)c2C1 1128512289 HZDORKYPDBQPIC-UHFFFAOYSA-N 305.382 -0.021 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)CC(=O)NCC)C1 1128907810 HUXBXHDZXPOIOE-NEPJUHHUSA-N 306.370 -0.668 30 20 DBED Cn1ncc(C2CC2)c1C(=O)NCCNCC(=O)NCC#N 1129176482 VJEDFPOUGOBPOG-UHFFFAOYSA-N 304.354 -0.743 30 20 DBED C=CCOCCNCCNC(=O)[C@H]1CCCCS1(=O)=O 1129339583 HINLSOCRGJZMIQ-GFCCVEGCSA-N 304.412 -0.138 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)[C@@H](C2CC2)N(C)C)C1=O 1129443040 GXEFSQNEOKCPEZ-UONOGXRCSA-N 308.426 -0.181 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCNCCn1nc(C)nc1C 1129771486 YLCDGQSYNNLZRE-HNNXBMFYSA-N 318.425 -0.302 30 20 DBED C#CCCN[C@@H]1CN(C(=O)CC2(O)CCC2)C[C@@H]1n1ccnn1 1129825021 KMVXYDSKLAPCSW-KGLIPLIRSA-N 317.393 -0.052 30 20 DBED COCCC1(C(=O)N2C[C@H](n3ccnn3)[C@H](NCC#N)C2)CC1 1129890578 OQDFKXMNAAVLLA-OLZOCXBDSA-N 318.381 -0.040 30 20 DBED CC#CCN1CCNC(=O)CCN(C(=O)[C@H](C)COC)CC1 1131342131 MHWBHKGNVFQVAK-CQSZACIVSA-N 309.410 -0.057 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@@H](CC1CCC1)NC(C)=O 1132834684 OMBHWENTDKPGBV-CQSZACIVSA-N 322.409 -0.864 30 20 DBED C[C@@H](C[C@H](C)NC(=O)c1ccnc(O)c1)NCC(=O)NCC#N 1134073454 RTQKWDCFBYPYON-QWRGUYRKSA-N 319.365 -0.087 30 20 DBED C=CCn1cc(C(=O)NCCNCc2ccn(C)c(=O)c2)nn1 1134981233 UUGWXZKEVXQHNH-UHFFFAOYSA-N 316.365 -0.318 30 20 DBED C[C@@H](C[C@@H](C)NCC(=O)NCC#N)NC(=O)c1ncccn1 1135723751 DAALMZWKUAZPHV-MNOVXSKESA-N 304.354 -0.397 30 20 DBED C#CCN(C)C[C@H]1CCCCN1C(=O)CN1CCNC(=O)C1 1158316555 NCMGLFZCRAHFIA-CQSZACIVSA-N 306.410 -0.636 30 20 DBED N#CCNC(=O)CNCCCNC(=O)c1cn2c(n1)CCC2 1158319233 ZKYAYMQNOUYTBC-UHFFFAOYSA-N 304.354 -0.821 30 20 DBED CNS(=O)(=O)CC(=O)N1CCCC[C@@H]1CN(C)CC#N 1158876320 FRUYHUAYHZUPIG-LLVKDONJSA-N 302.400 -0.628 30 20 DBED N#CCNC(=O)CN1CC=C(CCNC(=O)[C@H]2CCCO2)CC1 1159177215 MRYWHZNAAQZLOO-CQSZACIVSA-N 320.393 -0.056 30 20 DBED CC[C@@H](OC)C(=O)NCCC1(CNCC(=O)NCC#N)CC1 1163724761 FMCIWLYJARRHAV-GFCCVEGCSA-N 310.398 -0.073 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)[C@@H]1CCO[C@H]1C=C 1166986629 LAMLTXFSULKEKQ-MCIONIFRSA-N 307.394 -0.189 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@@H]1CCN(C(C)=O)C1 1174828510 QZHWUDJRIADNTP-CYBMUJFWSA-N 310.398 -0.747 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1ccc2nn[nH]c2c1 1175809125 HKVZQXMEKQEWJO-UHFFFAOYSA-N 314.349 -0.583 30 20 DBED C#CCNC(=O)CNC[C@]1(C)CN(C(=O)c2cnn[nH]2)C[C@H]1C 1181986032 BBOPTKLBANALEW-IAQYHMDHSA-N 318.381 -0.758 30 20 DBED C#CCNC[C@@H]1CCN(C(=O)CCCS(N)(=O)=O)C[C@@H]1C 1185040243 NNCVAMIETLRZLI-STQMWFEESA-N 315.439 -0.238 30 20 DBED C=CCCCC(=O)N1CC[C@@H](NCC(=O)N2CCNC(=O)C2)C1 1185296780 QYKUDSLUSIJPQU-CYBMUJFWSA-N 322.409 -0.508 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)C(C)(C)N2CCOCC2)C1 1186355646 LEQGAXFXUJDVAD-OAHLLOKOSA-N 323.437 -0.063 30 20 DBED C[C@H](CC(N)=O)C(=O)N1C[C@H](CNCC#N)C2(CCOCC2)C1 1186446220 YMUOKVMFRHGYRR-OLZOCXBDSA-N 322.409 -0.134 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H]2CCN(C(=O)c3ncc[nH]3)[C@@H]2C1 1187804550 NAWQSJQSUKTYNC-RWMBFGLXSA-N 315.377 -0.306 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC[C@@H](NCCNS(C)(=O)=O)C1 1188302205 VTCRYFIHSSFFBE-NWDGAFQWSA-N 319.427 -0.683 30 20 DBED C=CCN1CC[C@H](N2C[C@@H](O)[C@H](NC(=O)C#CC(C)C)C2)C1=O 1192761958 RXZIASFTFRGNNG-QLFBSQMISA-N 319.405 -0.406 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2oc(C)nc2C)C[C@H]1O 1192890976 FIYVUUUGNGENTE-MRVWCRGKSA-N 321.377 -0.009 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCCN(C(=O)c2ccnn2C)CC1 1195138070 MIAIVOWLGNHEJE-CYBMUJFWSA-N 317.393 -0.294 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)CCCF)C1 1195357342 FLNHCQNLAZPAJT-QJPTWQEYSA-N 301.362 -0.412 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCCN([C@@H]2CCCNC2=O)CC1 1195791566 FGFUKSRKYHVLSR-UONOGXRCSA-N 307.394 -0.162 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)C2(C(=O)NC)CC2)C1 1196898287 KDMVEDPVGWPWLY-NXEZZACHSA-N 301.774 -0.574 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H](NC(N)=O)C(C)(C)C)C1 1197811921 BVTAXJKKEVXBQS-IJLUTSLNSA-N 312.414 -0.193 30 20 DBED C#CCN[C@H](CNC(=O)CNC(N)=O)c1ccccc1OC 1198516528 ZNMRHDVUWZENLM-GFCCVEGCSA-N 304.350 -0.256 30 20 DBED C#CCNC(=O)CC(=O)N1CCC(NCC(=O)N(C)CC)CC1 1200170773 JAASUABFKUSQCU-UHFFFAOYSA-N 322.409 -0.815 30 20 DBED COCC#CCN[C@@H]1C[C@@H](NC(=O)CNC(C)=O)C12CCC2 1202351088 BPLVLKSUNKYERY-ZIAGYGMSSA-N 307.394 -0.211 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC(N[C@@H](C)C(N)=O)CC1 1202802112 MQKLCWCBNDMXFE-FZMZJTMJSA-N 324.425 -0.088 30 20 DBED C#CCNC(=O)[C@@H](C)NCC1CCN(C(=O)[C@@H](C)OC)CC1 1204649350 AQSPCZMHRVBKMV-CHWSQXEVSA-N 309.410 -0.013 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CN(CC(=O)NC2CCOCC2)C[C@H]1C 1206640218 FKUOGVBAYQEASD-OUCADQQQSA-N 322.409 -0.122 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)c2cn(CC)nn2)[C@H](C)C1 1209836568 NCXDAFXGTUGEAT-VXGBXAGGSA-N 320.397 -0.350 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)CN2CCCC2)[C@H](C)C1 1211038419 JNRDYCGCZKQCLO-QLFBSQMISA-N 320.437 -0.343 30 20 DBED CC#CCCCC(=O)N[C@@H]1CN([C@@H]2CCNC2=O)C[C@H]1OC 1213303394 MLTZBTDRLUTEQN-MGPQQGTHSA-N 307.394 -0.116 30 20 DBED C=CCOCCCC(=O)N[C@@H]1CN(Cc2cn(C)nn2)C[C@@H]1O 1219426624 KLEQQUPUPOTMEJ-KGLIPLIRSA-N 323.397 -0.541 30 20 DBED C#CCCCC(=O)N[C@@H]1CN([C@H](C)C(=O)NCCC)C[C@@H]1O 1219523864 QMCDQFFYYWXNJW-MCIONIFRSA-N 309.410 -0.134 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(C[C@@H]2CCc3ncnn32)C[C@@H]1O 1219587323 AMYLHJNTNFAYRO-MJBXVCDLSA-N 317.393 -0.414 30 20 DBED CCC(CC)NC(=O)CN1C[C@H](O)[C@H](NC(=O)C#CC2CC2)C1 1219594164 DEKUEHRQKMAJMU-CABCVRRESA-N 321.421 -0.134 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)COC[C@@H](C)N2CCCC2)C1 1220388078 ZNAZSBKXUWEHPT-OAGGEKHMSA-N 323.437 -0.328 30 20 DBED CCn1nccc1C(=O)NC1CCN(CC(=O)NCC#N)CC1 1227018105 YEUPARRUNADGPX-UHFFFAOYSA-N 318.381 -0.263 30 20 DBED C=CCCCN1CCC(NC(=O)c2cn(CC(N)=O)nn2)CC1 1230354751 LZGOECBLWCQARC-UHFFFAOYSA-N 320.397 -0.076 30 20 DBED C#CCN1CCS(=O)(=O)[C@H](CCNC(=O)c2cncnc2)C1 1230449699 JPRSQSKBDFNAPE-CYBMUJFWSA-N 322.390 -0.671 30 20 DBED C#CCN1CCS(=O)(=O)[C@@H](CCNC(=O)CC(C)(C)O)C1 1230455160 NVDKBVZJMKHFHS-LBPRGKRZSA-N 316.423 -0.614 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC[C@@H]1CN(C)C(=O)CC(=O)NCC 1233838163 UEXAPDFLSKPTHL-CHWSQXEVSA-N 324.425 -0.264 30 20 DBED COCc1noc(CN2CCN(CC(=O)NCCC#N)CC2)n1 1255406669 GCBXJYRBHKZSCR-UHFFFAOYSA-N 322.369 -0.637 30 20 DBED COc1cnc(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)nc1 1261240350 UIRCPOHSALLGCS-QBFSEMIESA-N 317.305 -0.259 30 20 DBED C=CCOC[C@H](NC(=O)Cn1cc([C@@H](C)O)nn1)C(=O)OC 1321582937 KMXTUHVOSFTRIY-KOLCDFICSA-N 312.326 -0.808 30 20 DBED Cc1cc(NC(=O)C(=O)NCC(=O)NC(C)C)n(CCC#N)n1 1322800028 DJPQTZUJULJGQP-UHFFFAOYSA-N 320.353 -0.316 30 20 DBED CO[C@H](CNC(=O)C(=O)N1CCO[C@@H](C#N)C1)C(F)(F)F 1323044000 NDJPFHPWRDQSTP-JGVFFNPUSA-N 309.244 -0.569 30 20 DBED C#CCCCNC(=O)C(=O)N1CCC[C@@H](S(C)(=O)=O)CC1 1323216349 AXJQRZCJTPUILA-GFCCVEGCSA-N 314.407 -0.058 30 20 DBED CC(C)N1C[C@H](NC(=O)C(=O)N2CCC(C#N)CC2)CC1=O 1324005252 UHTCFHMMKOKKMI-GFCCVEGCSA-N 306.366 -0.126 30 20 DBED CC(C)OC[C@@H](CO)N(C)C(=O)C(=O)N1CC[C@@](F)(C#N)C1 1325177169 POQHPXSWIGKDOO-BXUZGUMPSA-N 315.345 -0.305 30 20 DBED C=C(C)COCCNC(=O)C(=O)N1CC[C@H]2NC(=O)CC[C@H]2C1 1329030550 ABSKBDFEVQMINS-QWHCGFSZSA-N 323.393 -0.178 30 20 DBED C=CCn1cc(CNC(=O)C(=O)NC[C@H]2CCCCO2)nn1 1329199558 SZKLMFFKQFRWAO-GFCCVEGCSA-N 307.354 -0.234 30 20 DBED CC(C)S(=O)(=O)CCNC(=O)C(=O)Nc1cccc(C#N)n1 1332156552 JIROSTBKPGPOLW-UHFFFAOYSA-N 324.362 -0.169 30 20 DBED CCN1CCC[C@@H](NC(=O)C(=O)N2CCC(C#N)CC2)C1=O 1335100051 PFPLEQJSFUVAQZ-GFCCVEGCSA-N 306.366 -0.124 30 20 DBED C=CCCOCCn1nnnc1N1CCO[C@@H](CNC(C)=O)C1 1335530197 SVYDGRPJFJPNNU-ZDUSSCGKSA-N 324.385 -0.393 30 20 DBED N#C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H](N3CCCC3=O)C2)C1 1335634287 YRHOBPIGCQSTBI-STQMWFEESA-N 318.377 -0.028 30 20 DBED CCOC(=O)[C@H]1CCN(C(=O)C(=O)N2CC[C@@](F)(C#N)C2)C1 1338064594 JKUXAXLEERAJJL-IINYFYTJSA-N 311.313 -0.138 30 20 DBED CCOCCOC1CN(C(=O)C(=O)N2CC[C@@](F)(C#N)C2)C1 1344977833 MAWVVDVASGOFRA-CQSZACIVSA-N 313.329 -0.286 30 20 DBED Cc1cc(CNC(=O)C(=O)N2CC[C@](O)(CC#N)C2)ncn1 1345857048 DXIKKGAASUYTAD-CQSZACIVSA-N 303.322 -0.722 30 20 DBED CN(C[C@@H]1CCC[C@H]1O)C(=O)CCn1cc(C#N)c(O)nc1=O 1362597308 KBGFOLMLBXCPRY-CMPLNLGQSA-N 320.349 -0.170 30 20 DBED COC(=O)C[C@H]1CCCCN1c1[nH]c(=O)n(C)c(=O)c1C#N 1364230495 KOOKGAFXGQELPY-SECBINFHSA-N 306.322 -0.133 30 20 DBED N#C[C@H]1CCCN(C(=O)C2CCN(S(N)(=O)=O)CC2)C1 1364739886 HMXWGUWYYDSESR-SNVBAGLBSA-N 300.384 -0.336 30 20 DBED Cn1cc(C[C@@H](CO)NS(=O)(=O)c2cccnc2C#N)cn1 1364888032 NSYJLJHBFYHYKJ-NSHDSACASA-N 321.362 -0.431 30 20 DBED Cc1cc(C)n(CC(=O)N(C)CCNC(=O)[C@@H](C)C#N)c(=O)n1 1373649943 PWFZGWYMXNWCDE-JTQLQIEISA-N 319.365 -0.406 30 20 DBED CCC(=O)NCC(=O)N(C)C[C@@H](C)NC(=O)c1cc(C#N)c[nH]1 1383680548 MQFONSMWDNPTNW-SNVBAGLBSA-N 319.365 -0.011 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@@H]1CCN(C(=O)c2cn(C)c(=O)n2C)C1 1385377811 GXCUACFQWMSKTD-GHMZBOCLSA-N 319.365 -0.444 30 20 DBED C=C(Cl)CN[C@H](CC)CNC(=O)CN1CCNC(=O)C1 1391720237 RMKVCLNCHNUNCD-LLVKDONJSA-N 302.806 -0.345 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1C[C@H](NCC(=O)NC(=O)NC2CC2)C1 1397107208 GJQMZMRRSNYXNM-CKYFFXLPSA-N 321.381 -0.381 30 20 DBED COc1ccc(CC(=O)NC[C@@H](O)CNC(=O)[C@@H](C)C#N)cc1 1399871228 OHDKIVTZIWDLQJ-WCQYABFASA-N 319.361 -0.009 30 20 DBED C=C(Cl)CNC[C@@H](C)CNC(=O)CN1CCOCC1=O 1401116260 ROKSFOHFFLWQRE-SNVBAGLBSA-N 303.790 -0.060 30 20 DBED N#Cc1cc(C(=O)NC[C@H](O)CNC(=O)[C@@H]2CCCO2)c[nH]1 1416726996 YBHKZJMZCSZOIO-RYUDHWBXSA-N 306.322 -0.728 30 20 DBED C[C@H](C#N)C(=O)N1CC([C@@H](C)NC(=O)CN2CCOCC2)C1 1424509389 OOWGYAJTOCDRRV-VXGBXAGGSA-N 308.382 -0.559 30 20 DBED COC[C@@H](OC)C(=O)N1CC(NC(=O)c2cc(C#N)c[nH]2)C1 1430174963 YCPXHQTUUBLJPV-GFCCVEGCSA-N 306.322 -0.512 30 20 DBED CN(Cc1cc(O)n2ncc(C#N)c2n1)[C@]1(CO)CCOC1 1434488727 ZQWHUNXXLDOXHC-AWEZNQCLSA-N 303.322 -0.110 30 20 DBED CC(C)c1nnnn1CC(=O)NCC1CN(C(=O)[C@H](C)C#N)C1 1450621766 PVRHNXYGZKXCPO-SNVBAGLBSA-N 319.369 -0.469 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)c2cccc(O)n2)C1 1459655793 WJHAJFNVCFMUMJ-ZUZCIYMTSA-N 318.333 -0.360 30 20 DBED COC(=O)[C@@H](NC(=O)Cn1cnc(C#N)n1)c1cccnc1 1468216415 IGGFTHPJRDSZLS-LBPRGKRZSA-N 300.278 -0.425 30 20 DBED Cc1c(C#N)c(=O)n(CCCC(=O)NC(N)=O)c(=O)n1C1CC1 1473073210 PLEHYJVSYONXDO-UHFFFAOYSA-N 319.321 -0.500 30 20 DBED CCNC(=O)NC(=O)[C@@H](C)N[C@H]1C[C@H](CNC(=O)[C@@H](C)C#N)C1 1488815775 BEQFZFNBHVCYDC-USZNOCQGSA-N 323.397 -0.135 30 20 DBED C[C@H](CNCc1nc(=O)n(C)[nH]1)CNC(=O)c1cc(C#N)c[nH]1 1495646493 ZVUOGJCUHBVYEE-SECBINFHSA-N 317.353 -0.536 30 20 DBED CC#CCNC[C@@H]1CCCCN1C(=O)Cn1cnc(C(N)=O)n1 1505405244 SLBQYXIJJVKQAE-LBPRGKRZSA-N 318.381 -0.629 30 20 DBED CC[C@@H](OC)C(=O)N1CCN(CCNC(=O)[C@@H](C)C#N)CC1 1524095353 VLXDJPOUGTYUQM-QWHCGFSZSA-N 310.398 -0.169 30 20 DBED CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CO)C(=O)O 1573496973 DAMHYUVWMALBKQ-NXEZZACHSA-N 314.338 -0.145 30 20 DBED C[C@@H]1[C@@H](C)[S@](=O)CCN1c1cnc(-c2nn[nH]n2)c(C#N)n1 1575869407 QULQRRCVOJJVDF-ISZSSDBGSA-N 318.366 -0.126 30 20 DBED C=C(C)C[C@H](CO)NC(=O)C1(C(=O)O)CCS(=O)(=O)CC1 1588442618 TWJNVYZBOHWTGN-SNVBAGLBSA-N 319.379 -0.291 30 20 DBED C#CCNC(=O)CN(C)C1CCN(C(=O)[C@@H]2C[C@H]2C(=O)O)CC1 1588483915 MRPDOTIGIJFVIZ-CHWSQXEVSA-N 321.377 -0.621 30 20 DBED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@H]1C[C@H]1C(=O)O 1588536022 TVLRRKPBGCKEAM-IRCOFANPSA-N 310.350 -0.079 30 20 DBED C=C[C@@H](C(=O)O)N1CCN([C@@H](C)C(=O)NCCCOC)CC1 1588669720 NZELQHAWSPPHDQ-STQMWFEESA-N 313.398 -0.216 30 20 DBED CCNC(=O)CN(CC)c1cnc(C#N)c(-c2nn[nH]n2)n1 1590740177 HVRAPHGUEYTNTM-UHFFFAOYSA-N 301.314 -0.509 30 20 DBED N#Cc1ncn(CCNC(=O)c2ccnc(-c3nn[nH]n3)c2)n1 1592709987 PKQHHXZPDSRINR-UHFFFAOYSA-N 310.281 -0.845 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)N2CCC[C@H](CCC(=O)O)C2)CCO1 1594606518 YSYNHLBLSVHCJE-NEPJUHHUSA-N 323.349 -0.159 30 20 DBED N#Cc1ccc(CNC(=O)Cn2nnc(CCC(=O)O)n2)cc1 1601100808 ZQYZBUJRTCIAGV-UHFFFAOYSA-N 314.305 -0.122 30 20 DBED C#CC1(O)CN([C@H](C)C(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 1602690470 CUJAHQZRHZDCIY-SNVBAGLBSA-N 312.333 -0.126 30 20 DBED C=CCn1cc(C(=O)N2C[C@@H](C(=O)O)[C@H](C(=O)OC)C2)nn1 1602938246 ZIEDCBGDIDBWBG-RKDXNWHRSA-N 308.294 -0.590 30 20 DBED N#Cc1ncc(NC[C@H]2CCCS2(=O)=O)nc1-c1nn[nH]n1 1606398243 SLLGRSFNMCQDKP-SSDOTTSWSA-N 320.338 -0.483 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N[C@]1(C(=O)O)CCSC1 1609631057 NTIOBYYCSCBFLQ-WCBMZHEXSA-N 307.397 -0.127 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2cc(=O)n(C)cn2)C1 1660996373 SVEMINJTICTUQU-GFCCVEGCSA-N 304.350 -0.766 30 20 DBED COc1ccccc1CC(=O)NCCN(C)CC(=O)NCC#N 1753072742 SFFVJZSLWRHEQU-UHFFFAOYSA-N 318.377 -0.075 30 20 DBED CNC(=O)C1(C(=O)NCCN(CC#CCOC)C2CC2)CC1 1753161668 WJGNGDPZAYZAOK-UHFFFAOYSA-N 307.394 -0.257 30 20 DBED C=CCNC(=O)CN1CC(CNC(=O)[C@H]2CC(=O)N(CC)C2)C1 1753404929 XKVVSIUKYYGJQJ-ZDUSSCGKSA-N 322.409 -0.795 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@H](N(CC)C(=O)c2nc[nH]n2)C1 1753459508 QEAHFILXHSCFHM-RYUDHWBXSA-N 318.381 -0.521 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@@H](O)CNCCn2cccn2)c1 1753915970 GVIVBSACYFVDAH-LBPRGKRZSA-N 302.338 -0.537 30 20 DBED C#CCNC(=O)[C@H](C)NC/C=C/CNC(=O)C[C@@H]1COC(=O)C1 1754110623 JRYWCHCYSZRHET-WWKJKZQJSA-N 321.377 -0.661 30 20 DBED CCNC(=O)NC(=O)CNC[C@@H](NC(=O)C#CC1CC1)C1CC1 1754439699 RKASENNLZKHMLB-CYBMUJFWSA-N 320.393 -0.270 30 20 DBED C=CCOCCN1CC(O)(CNC(=O)c2cc(CC)[nH]n2)C1 1754763466 TUFDDQKLDHMHEM-UHFFFAOYSA-N 308.382 -0.049 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)c2ccn(CCOC)n2)CCO1 1755004535 CYWBNQAOIIQKQM-CQSZACIVSA-N 320.393 -0.017 30 20 DBED CC1(NCC(=O)NCC#N)CCN(C(=O)[C@@]23COC[C@@H]2C3)CC1 1755127129 CHGYTLJZSIPFQZ-LRDDRELGSA-N 320.393 -0.367 30 20 DBED C#CCNC(=O)CN(C)C[C@H]1CCCN1C(=O)[C@@H](C)NC(C)=O 1755189099 GXLXQDIXXZALCF-TZMCWYRMSA-N 322.409 -0.817 30 20 DBED C#CCNC(=O)CN[C@@H](C)[C@H](C)NC(=O)c1cn(CCC)nn1 1755264930 ZVPYIVNSXDRIHO-RYUDHWBXSA-N 320.397 -0.466 30 20 DBED COCC#CCN1CC(CCO)(NC(=O)c2cnsn2)C1 1755329953 GFXVCKDATAZWJU-UHFFFAOYSA-N 310.379 -0.646 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C[C@@H](O)CNCc1cncn1C 1755779703 OOPWZOPVYUDWAV-OCCSQVGLSA-N 308.382 -0.633 30 20 DBED C=C(C)CCC(=O)N[C@@H](CO)CNC(=O)c1cnn(C)c1N 1756513483 IPKAFGFWTPRMFZ-SNVBAGLBSA-N 309.370 -0.435 30 20 DBED C=CCOCC(=O)N1C[C@H](NC(=O)CNC(=O)C2CC2)C[C@@H]1C 1756582465 HZRGGKYNHMBCIH-WCQYABFASA-N 323.393 -0.179 30 20 DBED Cc1occc1C(=O)NCC(=O)NCCn1cnc(C#N)n1 1771701325 YQACRVZZAVWYIX-UHFFFAOYSA-N 302.294 -0.403 30 20 DBED C#CCNC(=O)CNS(=O)(=O)c1cccc(C(=O)O)c1F 1776135061 XPMXEKZBZIATDE-UHFFFAOYSA-N 314.294 -0.448 30 20 DBED N#CC1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN)[C@H]3C2)CCC1 1786799016 IJKXHFDYNPHGAI-AVGNSLFASA-N 320.393 -0.381 30 20 DBED C#CCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](N)CN 1796782767 BZYPFYUVAYKFJU-CRWXNKLISA-N 306.410 -0.286 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c(C)noc1N)C2 1800452165 XIAAKGMVLNABCK-DDFAGTSDSA-N 318.333 -0.598 30 20 DBED C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1CCOCC1)C2 1801597605 MLMJTVLOFRCNGP-BTTYYORXSA-N 305.378 -0.410 30 20 DBED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnco1)CCO2 1831940375 IXUSXXUNRVYZDX-OAHLLOKOSA-N 319.317 -0.622 30 20 DBED C[C@@H](S)C(=O)N1CCCC12CN(C(=O)CNC(N)=O)C2 1846372182 NQBGREOXYNGTCE-MRVPVSSYSA-N 300.384 -0.824 30 20 DBED C=CCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C[C@H]1NC(=O)NC1=O 1848130898 OTJRIFCOQQJTEQ-VWYCJHECSA-N 320.349 -0.638 30 20 DBED C#CCNC(=O)COC(=O)CNC(=O)c1ccc(F)cc1F 27359433 PHMMTPPBHCAYFM-UHFFFAOYSA-N 310.256 -0.013 30 20 DBED N#Cc1cccc(C(=O)N2CCN(CCS(N)(=O)=O)CC2)c1 80807813 WIYLHFPUCOJCET-UHFFFAOYSA-N 322.390 -0.395 30 20 DBED C#CCNC(=O)CCC(=O)Nc1ccc2c(n1)n(C)c(=O)n2C 153607015 LHPDUJRIDXPJCM-UHFFFAOYSA-N 315.333 -0.260 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC(n2cc(C(=O)OC)nn2)CC1 183737651 DRRHBKNLKQPSMJ-LLVKDONJSA-N 319.365 -0.161 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@@H](C)n2cccn2)CC1 264989083 JPKFPSDVOKCVLS-CQSZACIVSA-N 317.393 -0.272 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)/C=C/c2c[nH]cn2)CC1 276582839 LSLYAAZSAPWBQD-SNAWJCMRSA-N 315.377 -0.293 30 20 DBED C#CCOc1cc(F)ccc1NC(=O)C(=O)N1C[C@H](O)[C@H](O)C1 277641224 XZYCTQLJDXXZOF-TXEJJXNPSA-N 322.292 -0.660 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)CN1CCN(CC)C(=O)C1=O 281335189 JNDFXGOEDFHJQA-OCCSQVGLSA-N 323.393 -0.226 30 20 DBED C=CC[C@H](CC)NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 281696606 ZIGQHJJHCZBGKD-VIFPVBQESA-N 301.368 -0.283 30 20 DBED C[C@@H](NS(=O)(=O)c1cncc(C#N)c1)C(=O)N1CCOCC1 320631812 SZSGGLNIJDWSIX-SNVBAGLBSA-N 324.362 -0.521 30 20 DBED CC(C)N1C(=O)C[C@@H](/N=C(/O)CN2CCN(C)C(=O)C2)C1=O 329540661 CZUUIUGQQMLCGW-SNVBAGLBSA-N 310.354 -0.747 30 20 DBED C[C@@H]1CN(C(=O)Cn2cnc(C#N)n2)C[C@]2(CCO[C@@H]2C)O1 329887455 XLIAZEHZRIKLCI-GYSYKLTISA-N 305.338 -0.055 30 20 DBED N#C[C@H]1CN(S(=O)(=O)NC[C@@H](O)C2CCCCC2)CCO1 337090714 KCCACNALHXAKEO-QWHCGFSZSA-N 317.411 -0.014 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CC[C@](C)(C(=O)NC)C1 337164496 XQYNPTWPDHGKFR-LBPRGKRZSA-N 302.400 -0.075 30 20 DBED COc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@]1(O)CCOC1 339147555 FSCYYEYDWPILFR-HNNXBMFYSA-N 319.317 -0.227 30 20 DBED C=CCNC(=O)CNC(=O)c1ccc(S(=O)(=O)NC)cc1 339876939 FADCIKIFBLETAG-UHFFFAOYSA-N 311.363 -0.373 30 20 DBED C=CCCn1cc(C(=O)NC2CCN(CC(=O)NC)CC2)nn1 424585165 QQMKLRBOEPJBKN-UHFFFAOYSA-N 320.397 -0.206 30 20 DBED CC[C@@]1(O)CCN(C(=O)C(=O)Nc2ccn(CCC#N)n2)C1 427326610 HKWWFBVHKSPTEB-CQSZACIVSA-N 305.338 0.109 30 20 DBED C=CCCO[C@H](C)C(=O)N1C[C@@H](O)[C@H](N(C)CC(=O)O)C1 435689787 DDTWTANPJZBNGX-IJLUTSLNSA-N 300.355 -0.444 30 20 DBED N#Cc1ccc(CNC(=O)CN2CC[C@H](CO)[C@H](O)C2)cc1 521674812 PHXSCNQXIYYQMT-HUUCEWRRSA-N 303.362 -0.150 30 20 DBED N#C[C@H]1CSCCN1C(=O)[C@@H]1CCCN(S(N)(=O)=O)C1 597475151 IFKPMSPODZTAIQ-ZJUUUORDSA-N 318.424 -0.631 30 20 DBED C=CCC[C@H](CO)NC(=O)[C@H]1CCCN(S(N)(=O)=O)C1 616101959 ULHKSAHJPWVXLO-WDEREUQCSA-N 305.400 -0.655 30 20 DBED C=C[C@H](CO)NC(=O)[C@@H]1CC(=O)N(c2cnn(CCOC)c2)C1 620591158 LFXNBXHSVNNPFG-VXGBXAGGSA-N 322.365 -0.455 30 20 DBED C=CCn1cc(C(=O)NCCCNS(=O)(=O)CC)nn1 648757442 SGBUVZHOKPXVOM-UHFFFAOYSA-N 301.372 -0.477 30 20 DBED O=C(O)Cn1cc(C=NN2C(=O)NC3(CCCCC3)C2=O)nn1 768481809 FFLRVERHJXPRNK-UHFFFAOYSA-N 320.309 -0.049 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@@H]1CCN(CCOC)C1)[C@@H]1CCCO1 804901705 YNAODMUDXYCSRH-RDBSUJKOSA-N 323.393 -0.880 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@H](C)c1cnn(C)c1)[C@H]1CCCO1 805731599 GKMGVSCGIURXTM-KGYLQXTDSA-N 304.350 -0.106 30 20 DBED N#Cc1ccc(OCC(=O)OCCn2cc(C(N)=O)nn2)cc1 805944006 MXAYCXCJSFNHRM-UHFFFAOYSA-N 315.289 -0.129 30 20 DBED CC#CCS(=O)(=O)NC(=O)CSc1nnnn1C1CC1 810775153 YQDBECOKFKKCDC-UHFFFAOYSA-N 315.380 -0.431 30 20 DBED C#C[C@@H](NC(=O)C(=O)NCCC(C)(C)C(=O)O)[C@H]1CCCO1 818658160 RTQBTPOKBKRJCG-GHMZBOCLSA-N 310.350 -0.100 30 20 DBED C#C[C@@H](C)NC(=O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 820399660 IARWLVJWLRPJEV-SNVBAGLBSA-N 311.367 -0.553 30 20 DBED CCn1cc(-c2nn[nH]n2)c(=O)n(Cc2ccnc(C#N)c2)c1=O 825799862 UTVFXIPQVSJWRM-UHFFFAOYSA-N 324.304 -0.475 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](CC)OCC)CC1 831561364 WWBRUVCPWQWEFH-LBPRGKRZSA-N 317.411 -0.587 30 20 DBED C#C[C@H](NC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1)[C@H]1CCCO1 832419393 XXFHOABMZXXZPP-GRYCIOLGSA-N 315.395 -0.801 30 20 DBED C/N=C(/NCCN1CCOCC1)NC[C@]1(O)CCO[C@@H]1C 849023759 CYPSHNNQEZJPGO-TZMCWYRMSA-N 300.403 -0.977 30 20 DBED C#CCCN(CCOC)C(=O)N[C@@H](CC)CNS(C)(=O)=O 854104484 RWXGAEASSXZNMC-LBPRGKRZSA-N 319.427 -0.005 30 20 DBED C#CCN1CCC[C@H](NC(=O)N[C@H](C)CS(C)(=O)=O)C1 884207204 OPARSANDEJABOO-NEPJUHHUSA-N 301.412 -0.184 30 20 DBED C#CC1(O)CN(C(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)C1 890519897 UIJOZIHLIAIPOI-UHFFFAOYSA-N 320.370 -0.171 30 20 DBED CCN1CCC[C@H](NS(=O)(=O)N(C)C[C@H](C)C#N)C1=O 921490318 FJVDZDANMRWVLL-MNOVXSKESA-N 302.400 -0.077 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](NC(=O)Cc2nc[nH]n2)C1 936116455 IXZZPCSKVMFSNF-UTUOFQBUSA-N 319.365 -0.345 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)Cn3nccn3)C2)cn1 938372310 DYZQQTDTWXPMMV-AWEZNQCLSA-N 324.344 -0.315 30 20 DBED CCN(C(=O)c1nnn(C)n1)[C@@H]1CCN(C(=O)[C@H](C)C#N)C1 942917233 HWUVVYMRBOBFEX-NXEZZACHSA-N 305.342 -0.567 30 20 DBED Cc1cc(C(=O)NC[C@@H]2CN(C(=O)[C@H](C)C#N)CCO2)ncn1 944552881 NSMDLMXZOYYCJZ-ZYHUDNBSSA-N 317.349 -0.098 30 20 DBED Cc1ccc(C(=O)NC[C@H]2CN(C(=O)[C@H](C)C#N)CCO2)nn1 944588680 GRGPAGGWNXGXFR-PWSUYJOCSA-N 317.349 -0.098 30 20 DBED C=C1CC(C)(C(=O)N2C[C@H]3C[C@H]2[C@H]3NC(=O)Cn2cnnn2)C1 946646654 AEACQQMGRQRDIR-MDZLAQPJSA-N 316.365 -0.255 30 20 DBED CC#CCN1CCC[C@H](N(C)C(=O)Cn2ncn(C)c2=O)CC1 948567379 UGWSGMOKZGYIGL-AWEZNQCLSA-N 319.409 -0.082 30 20 DBED N#CCN1CCC2(CC1)CN(C(=O)c1nccnc1N)CCO2 949053648 CYUROWMYHWDYHK-UHFFFAOYSA-N 316.365 -0.111 30 20 DBED C[C@H](C#N)C(=O)N1CC(N(C)C(=O)c2ccc(=O)n(C)c2)C1 954729994 ZLXVGMPHJFHYGW-SNVBAGLBSA-N 302.334 -0.172 30 20 DBED CN(C(=O)[C@@H]1CCNC1=O)C1CN(C(=O)c2cc(C#N)c[nH]2)C1 954962239 REVVEFIPEZBJHG-LLVKDONJSA-N 315.333 -0.695 30 20 DBED C=CCN1C[C@H](O)[C@H](CNC(=O)c2cn(CCOC)nn2)C1 958061852 CVUCBDBTCIRGHW-YPMHNXCESA-N 309.370 -0.867 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](CNC(=O)c2cc(=O)n(C)cn2)C1 958148281 GYUXPYHEXUTHOD-TZMCWYRMSA-N 320.393 -0.231 30 20 DBED Cn1nnc(CN2C[C@H]3[C@H](NC(=O)c4ccc(C#N)[nH]4)[C@H]3C2)n1 958601740 JSJCENQESVYBMQ-IWIIMEHWSA-N 312.337 -0.730 30 20 DBED C=CCN1C[C@H]2C(NC(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)[C@@H]2C1 961745104 OGGNMRNSWTVSPH-LPWJVIDDSA-N 307.394 -0.145 30 20 DBED Cc1cc(CC(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)no1 961935524 UXAVATPOABJGLI-FXAINCCUSA-N 306.322 -0.627 30 20 DBED C=CCn1cc(C(=O)N[C@H]2[C@@H]3CN(CC(=O)N(C)C)C[C@@H]32)nn1 961995640 UXYDKDBSOBFWHR-YABSGUDNSA-N 318.381 -0.788 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)c1ccnn1C 964106530 HTPOZXMRKJBCRN-MNOVXSKESA-N 305.338 -0.463 30 20 DBED C#CCNC1CCC(N(C)C(=O)CN2C(=O)CN(C)C2=O)CC1 964345126 QEKYJIZEYPIVND-UHFFFAOYSA-N 320.393 -0.127 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(C[C@@H](NC(=O)c3nc[nH]n3)CO2)C1 965769111 FZNOTUXTCFATGH-DTWKUNHWSA-N 304.310 -0.936 30 20 DBED COCCn1nc(C(=O)N2CC[C@@H](N(C)CC#N)C2)ccc1=O 971898181 IHPOVKMCWZZHMT-GFCCVEGCSA-N 319.365 -0.440 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)Cn3cnnc3O)C[C@H]21 974976302 UVNTWGIKBBMWOO-GMTAPVOTSA-N 318.337 -0.797 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CN(C)C(=O)[C@@H]2COC(=O)N2)CC1 988626192 WEIFIAHQBJJNHQ-PWSUYJOCSA-N 322.365 -0.049 30 20 DBED CC#CCN1CCCN(C(=O)[C@H]2COCCN2C(C)=O)CC1 989699929 XMSMAZCYXJAFPN-OAHLLOKOSA-N 307.394 -0.209 30 20 DBED N#Cc1ccc(C(=O)NC2CN(C(=O)[C@@H]3CCCNC3=O)C2)[nH]1 990894405 WQSBTBGCMWFMJA-LLVKDONJSA-N 315.333 -0.647 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)Cc2cncnc2)C1 991085015 RMHVBHDDERAUOQ-KGLIPLIRSA-N 316.361 -0.063 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@@H](NC(=O)C3CC3)[C@H](O)C2)c1 991195699 VUZYXRICDIFLMG-DGCLKSJQSA-N 302.334 -0.012 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CN(C(=O)[C@@H]2COC(=O)N2)C1 992028214 YZRQQUOJLMMYMZ-SRVKXCTJSA-N 323.349 -0.597 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)Cn2nnc3c2CCCC3)C1 999949481 XOFVDBGPOHNYEW-JTQLQIEISA-N 316.365 -0.356 30 20 DBED C#CCN1CCC(CNC(=O)[C@@H]2CC(=O)N(CCOC)C2)CC1 1001460896 XLILUVNMJBAOMV-OAHLLOKOSA-N 321.421 -0.057 30 20 DBED CC#CCN1CCC[C@@H](NC(=O)CN2CCCS2(=O)=O)C1 1007463540 IMABJGAYKQCBHV-CYBMUJFWSA-N 313.423 -0.374 30 20 DBED N#CCN1CCC[C@H](NC(=O)CN2CCCCS2(=O)=O)C1 1007952807 NPOLGFDVRJOOLF-LBPRGKRZSA-N 314.411 -0.484 30 20 DBED C=CCCn1cc(C(=O)N2CC[C@@H](NC(=O)C(N)=O)[C@@H]2C)nn1 1011793819 DBJDFILIONJEPT-VHSXEESVSA-N 320.353 -0.941 30 20 DBED CCn1nc(C(=O)N2CCN(C(=O)[C@@H](C)C#N)CC2)ccc1=O 1012010199 MQYCOTVEZKHDMX-NSHDSACASA-N 317.349 -0.293 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2C(NC(=O)c3cc(=O)n(C)o3)[C@@H]2C1 1013014789 UWAGEKJMKXJHET-IWSPIJDZSA-N 304.306 -0.675 30 20 DBED Cn1cncc1CC(=O)NC1[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]12 1013445406 QGAHEZFPSCDRDT-ZIAGYGMSSA-N 312.373 -0.051 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCC1=CCN(C(=O)C(N)=O)CC1 1017749062 ZDICRYJTHGAHSP-NEPJUHHUSA-N 307.350 -0.662 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(CN(C(=O)CC(N)=O)C2)C1 1018887706 PXQOZTKRPFHFTJ-NEPJUHHUSA-N 321.377 -0.486 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(CN(C(=O)CCn3ccnn3)C2)C1 1018972198 KLFQHAVKJVQRLM-LBPRGKRZSA-N 316.365 -0.111 30 20 DBED C[C@@H](C#N)C(=O)N1CCCO[C@@H](CNC(=O)c2cn(C)cn2)C1 1019566441 CZEHLVHKVFFIRG-RYUDHWBXSA-N 319.365 -0.073 30 20 DBED C[C@@H](C#N)C(=O)N1CCCO[C@@H](CNC(=O)c2cncnc2)C1 1019571675 HQXNYIZAVOAECN-AAEUAGOBSA-N 317.349 -0.016 30 20 DBED N#Cc1cc(C(=O)N2CC[C@@H](CN[C@H]3CCNC3=O)C2)c[nH]1 1026794949 VMESLTOMCCBHTN-GWCFXTLKSA-N 301.350 -0.173 30 20 DBED N#CCN1CC[C@@H](CNC(=O)c2cn([C@H]3CCOC3)nn2)C1 1028917569 MSMVGGBESHBRMF-RYUDHWBXSA-N 304.354 -0.185 30 20 DBED C=CCN1CCO[C@H](CNC(=O)[C@H]2COCCN2C(C)=O)C1 1035607853 XNXQFKMXEVYODB-ZIAGYGMSSA-N 311.382 -0.763 30 20 DBED C#CCN1CCC(C(=O)NC[C@@H]2CN(CC#N)CCO2)CC1 1035613428 HZKFOTFJKDLJAD-OAHLLOKOSA-N 304.394 -0.328 30 20 DBED CC[C@@H]1CN(C(=O)c2nnc(O)nc2O)CC[C@@H]1NCC#N 1037887411 DTKXMIBETPHGJB-BDAKNGLRSA-N 306.326 -0.363 30 20 DBED CCC(=O)N1CCC(=O)NCCN(c2cnc(C#N)cn2)CC1 1039659014 IMGSSARYQIHLHZ-UHFFFAOYSA-N 316.365 -0.087 30 20 DBED CN(C)CCCC(=O)NC[C@]1(O)CCN(C(=O)C#CC2CC2)C1 1040719532 XKLLFFGGUXVCLV-QGZVFWFLSA-N 321.421 -0.179 30 20 DBED C=CCCCC(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2CCC(=O)N2)C1 1040730088 WDFSVWYTSPOLEB-BLLLJJGKSA-N 323.393 -0.299 30 20 DBED C[C@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)c2ccnnc2)C1 1040766733 SEBZPAJJFJAUQG-QMTHXVAHSA-N 303.322 -0.671 30 20 DBED N#CCN1CCC2(CC1)CCN(C(=O)Cn1c(O)nnc1O)C2 1040926665 NXOAVSVSVOJRGL-UHFFFAOYSA-N 320.353 -0.473 30 20 DBED N#Cc1cccnc1N1C[C@@H](O)[C@H](NC(=O)c2cnns2)C1 1040942549 BTBYRQSQXVONBQ-NXEZZACHSA-N 316.346 -0.216 30 20 DBED Cn1nccc1C(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1O 1040942912 MJPCYIFWKQSBFF-ZYHUDNBSSA-N 313.321 -0.939 30 20 DBED N#Cc1cnc(N2C[C@@H](O)[C@H](NC(=O)Cc3ccon3)C2)cn1 1040959082 QOGMDTXFFRWTBC-VXGBXAGGSA-N 314.305 -0.755 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@](O)(CNC(=O)Cn2cncn2)C1 1040962738 OAPRLIDPPIBWNP-HNNXBMFYSA-N 321.381 -0.430 30 20 DBED N#CCSCC(=O)N1CC(O)(CNC(=O)c2ccco2)C1 1041203456 JHMSIWBAZAYOET-UHFFFAOYSA-N 309.347 -0.161 30 20 DBED C=CCCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)[C@H](C)OC)C1 1041754938 WWVJZCPOUQGWGD-RYUDHWBXSA-N 314.382 -0.308 30 20 DBED C[C@@H](C(=O)NCC1(O)CN(C(=O)CSCC#N)C1)C1CC1 1042372326 FPRVEVHFUBBOMM-SNVBAGLBSA-N 311.407 -0.021 30 20 DBED CO[C@H](C)C(=O)N1CC(O)(CNC(=O)c2ccc(C#N)[nH]2)C1 1042608610 HSGUIRDIYPOCKQ-SECBINFHSA-N 306.322 -0.776 30 20 DBED CN(C)CCC(=O)N1CC(O)(CNC(=O)c2c[nH]c(C#N)c2)C1 1042669512 PUALRSOWHWPECY-UHFFFAOYSA-N 319.365 -0.859 30 20 DBED CN(C(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1)C1CN(CC#N)C1 1042718600 GQVLJLDPXMAYPV-SNVBAGLBSA-N 302.338 -0.571 30 20 DBED C[C@@H]1OCCC[C@H]1C(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042959005 SKHXUVJPEXZPJV-GXTWGEPZSA-N 320.389 -0.096 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)[C@@H](C)OCC=C)C1 1043574591 GMDIUTZFDGELBS-OLZOCXBDSA-N 324.377 -0.695 30 20 DBED C=CCCCC(=O)NCC1(O)CN(C(=O)CCNC(N)=O)C1 1045458735 LHAKCXQFYGSGMF-UHFFFAOYSA-N 312.370 -0.909 30 20 DBED Cc1cnccc1CC(=O)N1CC(O)(CNC(=O)[C@@H](C)C#N)C1 1045552223 RDKGDMCGFWCXRI-NSHDSACASA-N 316.361 -0.218 30 20 DBED Cn1cnn(CC(=O)N2CC[C@H]3CC[C@@H](C2)N3CC#N)c1=O 1045805031 PHYKVNMLTFJHAE-NEPJUHHUSA-N 304.354 -0.829 30 20 DBED Cc1c(C(=O)NCC2(O)CN(C(=O)[C@H](C)C#N)C2)ccn1C 1046224986 PCCCXHMLJWRZLU-SNVBAGLBSA-N 304.350 -0.204 30 20 DBED C=CCN1CC[C@@H](N2CC[C@@](C)(NC(=O)c3cnn[nH]3)C2)C1=O 1046441728 MYCFEAZUVDPMNC-IUODEOHRSA-N 318.381 -0.214 30 20 DBED Cc1ccn(CC(=O)NCC2(O)CN(C(=O)[C@H](C)C#N)C2)n1 1046767993 OYALEHAOTPJLOX-SNVBAGLBSA-N 305.338 -0.959 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3oc(O)nc3n2)C1 1047597769 YXNQRZSLGVXWLR-QWRGUYRKSA-N 316.317 -0.321 30 20 DBED C=C(C)CN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3nncn3C2)C1 1047638733 FZKKNELRAIIKIA-RDBSUJKOSA-N 319.409 -0.080 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)C2=COCCO2)C[C@@H]1O 1049388285 ILCQLLCHOBPWJM-DCAQKATOSA-N 309.322 -0.936 30 20 DBED N#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCS(=O)(=O)N1 1049898791 DXOBSVHQMRLSFQ-QJPTWQEYSA-N 312.395 -0.733 30 20 DBED C[C@@H]1[C@@H](NC(=O)c2cnnn2C)CCN1c1ccc(C#N)nn1 1050212224 WYXBBITZHUCORL-KOLCDFICSA-N 312.337 -0.126 30 20 DBED CC(=O)N1CCOC[C@@H]1C(=O)N1CC2(CCN(CC#N)CC2)C1 1050761244 JIBWTTMWVYBZHS-CQSZACIVSA-N 320.393 -0.318 30 20 DBED CC#CCN1CCOC[C@@H]1CNC(=O)c1cnc2[nH]nnc2c1 1050954693 DDWWJFBDUUXLGL-LBPRGKRZSA-N 314.349 -0.193 30 20 DBED N#Cc1ccc(NC2CC(CNC(=O)[C@H]3COC(=O)N3)C2)nn1 1051926341 MLRMVWSXQXIOHC-BOBPJJCASA-N 316.321 -0.237 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)[C@H](C)N1CCOCC1)CCO2 1053553953 YOTXCMNRSWUKAC-HNNXBMFYSA-N 321.421 -0.356 30 20 DBED C[C@@H](C(=O)N[C@H]1COC2(C1)CN(CC#N)C2)N1C(=O)CCC1=O 1053821209 YFWCZOXDNLLFGP-WDEREUQCSA-N 320.349 -0.993 30 20 DBED N#Cc1ccc(N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)Cn2cnnn2)cn1 1054890972 LUYBMZUOOGIPBK-XBFCOCLRSA-N 324.348 -0.134 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H]2CN(C(=O)CSC)C[C@H]2C1 1055147190 PFPMAEAKKNQKPS-TXEJJXNPSA-N 323.418 -0.594 30 20 DBED CCC(=O)NCC(=O)N1C[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2C1 1055253936 SXCMJUYJUJXUAY-OKILXGFUSA-N 317.389 -0.157 30 20 DBED C=CCOCC(=O)N1CCC[C@](CO)(NC(=O)[C@@H](C)OC)C1 1055806072 KGQZJRUFIVACMF-DOMZBBRYSA-N 314.382 -0.306 30 20 DBED N#Cc1cncc(N2CCN(C(=O)C[C@@H]3CCNC3=O)CC2)n1 1055923200 BYYAGSSNDQQTEV-NSHDSACASA-N 314.349 -0.477 30 20 DBED Cn1ncc(C(=O)NC2[C@@H]3CN(c4nccnc4C#N)C[C@@H]23)c1N 1056175827 GWZATQCJEMGOMB-NXEZZACHSA-N 324.348 -0.471 30 20 DBED N#Cc1c(Cl)nsc1N1C[C@@H]2C(NC(=O)C(N)=O)[C@H]2C1 1056381816 DFKYEZQMCVNTOY-WDSKDSINSA-N 311.754 -0.296 30 20 DBED N#Cc1cnc(N[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)C2)cn1 1056764350 RJBLWAAUPUICSX-SCZZXKLOSA-N 301.310 -0.958 30 20 DBED C#Cc1cncc(C(=O)NCCN(CCO)C(=O)COCC)c1 1056868227 YTIWXOJIAVWCDJ-UHFFFAOYSA-N 319.361 -0.350 30 20 DBED N#Cc1cnc(N2CCCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)cn1 1057235830 KPALAAUMOVZLSW-NEPJUHHUSA-N 314.349 -0.492 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)[C@@H]1CN2CCC1CC2 1057675191 KZPLBJGTCUPWIN-GXTWGEPZSA-N 322.409 -0.575 30 20 DBED N#Cc1cncc(N2CCC(NC(=O)[C@@H]3CNC(=O)N3)CC2)n1 1057935471 GFNLWYVJQPARLG-NSHDSACASA-N 315.337 -0.885 30 20 DBED CN1CC[C@H](CC(=O)N(CCO)CCNC(=O)C#CC2CC2)C1 1058158350 WMVYZQRHVXELCW-OAHLLOKOSA-N 321.421 -0.321 30 20 DBED C=C[C@@](C)(CC)C(=O)N(CCO)CCNC(=O)Cn1cnnn1 1058728326 PYXVWRLGQPKEJA-AWEZNQCLSA-N 324.385 -0.788 30 20 DBED N#Cc1cnc(N[C@H]2CCN(C(=O)[C@H]3CCC(=O)N3)C2)cn1 1058847726 NGECZFTVADDJAS-GXSJLCMTSA-N 300.322 -0.360 30 20 DBED N#Cc1nc(=N[C@H]2C[C@@H](NC(=O)CN3CCCC3)C2)cc[nH]1 1059647030 FEECIEYCYHJMNL-TXEJJXNPSA-N 300.366 -0.075 30 20 DBED CN1C[C@H](C(=O)N[C@H]2C[C@@H](Nc3cnc(C#N)cn3)C2)CC1=O 1059862609 SRLSKAJPQWZLFE-MXWKQRLJSA-N 314.349 -0.114 30 20 DBED N#Cc1cnc(NC[C@H]2CCN(C(=O)[C@H]3CCC(=O)N3)C2)cn1 1060827730 XAFQXOZKGPXEFM-ZYHUDNBSSA-N 314.349 -0.113 30 20 DBED Cn1cc(C(=O)NC[C@H]2CCCN2c2ccc(C#N)nn2)nn1 1061349062 QRIWPTXLJZHYAZ-LLVKDONJSA-N 312.337 -0.124 30 20 DBED C=CCCC(=O)NC[C@@H]1COCCN1C(=O)Cn1nccn1 1061411966 KJAOAWVJAJXTBI-GFCCVEGCSA-N 307.354 -0.412 30 20 DBED N#Cc1cncc(N2CC[C@@H](CNC(=O)[C@H]3COCCO3)C2)n1 1061524473 FBPPFXDTNHFASJ-WCQYABFASA-N 317.349 -0.294 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)CCn1cccn1 1061845286 GXZPFTVKBVQZTF-OLZOCXBDSA-N 319.365 -0.224 30 20 DBED Cc1cnc(C(=O)N2CCOC[C@H]2CNC(=O)[C@H](C)C#N)cn1 1061846931 QWLCMUMWDHMFPX-ZYHUDNBSSA-N 317.349 -0.098 30 20 DBED C#CCNC(=O)CC(=O)N1CCCC[C@@H]1CNC(=O)COC 1062140815 VHHDIUUNLSXECF-GFCCVEGCSA-N 309.366 -0.730 30 20 DBED N#Cc1ccc(N2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2COC(=O)N2)nc1 1062481709 XMAUXLXJLJBKJH-SRVKXCTJSA-N 313.317 -0.149 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)[C@]2(C)CNC(=O)C2)CCC1 1063679937 YYULFLOVGQDLLE-HZMBPMFUSA-N 306.366 -0.173 30 20 DBED Cn1ncc(C(=O)N[C@@]2(C)CCN(c3cnc(C#N)cn3)C2)n1 1065263515 JQECYJLETPSALU-AWEZNQCLSA-N 312.337 -0.124 30 20 DBED Cc1nonc1C(=O)N1CCO[C@H](CNC(=O)[C@H](C)C#N)C1 1065309148 KXPPDVHXBQHERO-PSASIEDQSA-N 307.310 -0.505 30 20 DBED C[C@]1(NC(=O)[C@H]2CNC(=O)N2)CCN(c2cnc(C#N)cn2)C1 1065324868 FZPFXYRZLDAMAV-YGRLFVJLSA-N 315.337 -0.885 30 20 DBED CN(C(=O)[C@@H]1CCCO1)[C@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1065565854 AWGRTQBOSVQIAU-AVGNSLFASA-N 317.349 -0.465 30 20 DBED Cc1nsc(NC[C@H]2CN(C(=O)C(N)=O)CCO2)c1C#N 1066669080 PUEGQEJMHWNRDP-QMMMGPOBSA-N 309.351 -0.552 30 20 DBED C#CCOCCC(=O)N(C)CCCN(C)C(=O)[C@H]1CCC(=O)N1 1067004361 CWFNHVDFNCMPFU-CYBMUJFWSA-N 323.393 -0.388 30 20 DBED CNC(=O)CC(=O)N1CC2(CC[C@H](CNC(=O)[C@@H](C)C#N)O2)C1 1068619999 FTACQTQJEJBLLT-WDEREUQCSA-N 322.365 -0.842 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1COC2(C1)CN(C(=O)CCCN(C)C)C2 1069007854 LJOGZVHSYBVBLM-QWHCGFSZSA-N 322.409 -0.026 30 20 DBED N#Cc1nc(=N[C@@H]2CCC[C@@H]3CN(C(=O)C(N)=O)C[C@@H]32)cc[nH]1 1069319096 PMUSRWKNYFAJHL-OUAUKWLOSA-N 314.349 -0.706 30 20 DBED CCC1(NC(=O)c2nnn(C)n2)CCN(C(=O)[C@@H](C)C#N)CC1 1069582512 HVZGSGGPLGHTNF-JTQLQIEISA-N 319.369 -0.129 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2c[nH]c(=O)cn2)C1 1070010110 BNPDMUCPUPXAST-NEPJUHHUSA-N 315.337 -0.797 30 20 DBED N#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)CC2=CCOCC2)C1 1070017797 BDNRJORYBMPPKN-KGLIPLIRSA-N 316.365 -0.120 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(CCO)C[C@@H]1n1ccnn1 1070031361 UJIOULYVIHSBBO-MQYQWHSLSA-N 321.381 -0.797 30 20 DBED N#CCN1C[C@H]2C[C@H]3CN(C(=O)C[C@@H]4COC(=O)C4)C[C@@]3(C1)O2 1070786600 JBOOLLKPPYUTSK-BCUIYNNISA-N 319.361 -0.235 30 20 DBED C=C(C)CN1C[C@H]2C[C@@H]3CN(C(=O)c4nnn(C)n4)C[C@@]3(C1)O2 1070838975 DEQYJINNKKWRHY-LALPHHSUSA-N 318.381 -0.299 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)c2coc(OC)n2)CC1 1070982802 NLSXHKSYFQNYTA-UHFFFAOYSA-N 320.349 -0.420 30 20 DBED C#CCN1CC[C@@]2(C1)CN(C(=O)Cn1cnnc1O)C[C@@H](C)O2 1071148827 AWIFMHQYSZMAAV-IUODEOHRSA-N 319.365 -0.691 30 20 DBED C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1NC(=O)CC(N)=O 1071875336 ULFOJLNGKFFRDP-KCJUWKMLSA-N 303.322 -0.662 30 20 DBED C[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@@H]1NC(=O)CSCC#N 1072011298 VPMORYASEXYFBM-ZJUUUORDSA-N 322.394 -0.351 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(C(=O)Cc2nc[nH]n2)C[C@H]1C 1072776253 VWTFFJMQLCOWIG-VXGBXAGGSA-N 319.365 -0.650 30 20 DBED CC(C)(C)n1nnc(C(=O)NC[C@H]2CN(CC#N)CCCO2)n1 1073611439 WWGOSLLJSUIRJT-NSHDSACASA-N 321.385 -0.228 30 20 DBED CC(C)N1C[C@@H](C(=O)NC[C@@H]2CN(CC#N)CCCO2)CC1=O 1073623869 UNZYGUFFJYWJEC-UONOGXRCSA-N 322.409 -0.026 30 20 DBED CC#CCN1CCCO[C@H](CNC(=O)C2CC(=O)NC(=O)C2)C1 1073818985 VBEMJTKJAFCLMY-CYBMUJFWSA-N 321.377 -0.730 30 20 DBED CC#CCN1CCCO[C@H](CNC(=O)[C@@H]2CCCN2C(N)=O)C1 1073908329 IJLKAQLHJGSOAL-KGLIPLIRSA-N 322.409 -0.240 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CCN(C(=O)c2cn[nH]c2)CC1 1074493049 KBGCYUXQUHZFAA-SNVBAGLBSA-N 305.338 -0.347 30 20 DBED C=C(C)C(C)(C)C(=O)N1CCC(O)(CNC(=O)C(N)=O)CC1 1074660058 UFAIZGVUEFOPSS-UHFFFAOYSA-N 311.382 -0.456 30 20 DBED C=C(C)CCC(=O)N[C@@H](C)CCNC(=O)C[C@@H]1NC(=O)NC1=O 1077121606 DEMTYPXRKHSAPI-QWRGUYRKSA-N 324.381 -0.048 30 20 DBED C#CCNC(=O)CC(=O)N1CC(N(CC)C(=O)CSC)C1 1079268725 QHRLAKDKJMMZOL-UHFFFAOYSA-N 311.407 -0.452 30 20 DBED C[C@H](C#N)C(=O)NC1(CO)CCN(C(=O)CSCC#N)CC1 1080981579 HOLXOSLRGLAFLF-LLVKDONJSA-N 324.406 -0.127 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@H](CNC(=O)CCSC)C1 1081231126 KSWWGWLWPUWBFG-VXGBXAGGSA-N 316.423 -0.122 30 20 DBED C=C1CC(C)(C(=O)NC[C@H]2CN(C(=O)CC(N)=O)C[C@H]2O)C1 1081752352 ICNMRADRNVKACG-WDEREUQCSA-N 309.366 -0.846 30 20 DBED C#CCN1C[C@@H](NC(=O)c2ccc3c(n2)OCCO3)[C@H](OC)C1 1081893358 MVDWDIODEOLTHI-TZMCWYRMSA-N 317.345 -0.085 30 20 DBED CC#CCN1C[C@@H](NC(=O)c2cccc(=O)n2C)[C@H](OC)C1 1082119439 GACAJLAWUFPHKK-TZMCWYRMSA-N 303.362 -0.162 30 20 DBED CCn1cc(CN2C[C@H]3[C@@H](C2)OCCN3C(=O)[C@H](C)C#N)nn1 1083027129 ZUCAPCINIKYKHV-KWCYVHTRSA-N 318.381 -0.131 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)C[C@H]2CCS(=O)(=O)C2)C1 1083616454 OULBTAMIHWUQMF-UPJWGTAASA-N 316.423 -0.451 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCCS(=O)(=O)C2)C1 1083829191 DTOQPBWXYYXNRZ-UTUOFQBUSA-N 302.396 -0.842 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)[C@@]2(C)CCN(C(C)=O)C2)C1 1083928933 HFQPBFQMXIKLMX-YCPHGPKFSA-N 309.410 -0.018 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@@H](NCc2nnn(C)n2)C1 1086201890 XLDLTHGVYWGGTD-XQHKEYJVSA-N 320.397 -0.214 30 20 DBED CCO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1CNCc1nncn1C 1087036047 XBHVAVKUNXZPET-YNEHKIRRSA-N 320.397 -0.072 30 20 DBED C=C(C)CCN1CC[C@@H](NC(=O)C2CN(C(C)=O)C2)[C@@H](O)C1 1090219175 MMBSBIFGTSCNTR-CABCVRRESA-N 309.410 -0.018 30 20 DBED CC(=O)N[C@@H](C)C(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@H]1O 1090368458 FQORTJKNSGUSGP-MRCXROJRSA-N 317.349 -0.856 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(c2cc(F)ncn2)C[C@H]1OC 1090921613 RDGSYPUPHORLEV-IJLUTSLNSA-N 322.340 -0.026 30 20 DBED C[C@@H]1CN(C(=O)CCNC(N)=O)C[C@H]1Nc1ccc(C#N)nn1 1090975936 HCVGRHAHIILJOG-MWLCHTKSSA-N 317.353 -0.335 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1091091500 ALYVNKSEMPLBSY-TYNCELHUSA-N 317.349 -0.659 30 20 DBED N#CCNC1CC(CNC(=O)[C@@H]2COCCN2CC(F)F)C1 1091163525 CYJUSOQCZUVYHX-MCIGGMRASA-N 316.352 -0.040 30 20 DBED CCOCC(=O)N[C@@H]1CCN(c2cnc(C#N)cn2)C[C@@H]1O 1092130019 UGELNMOGBKHUEA-NEPJUHHUSA-N 305.338 -0.559 30 20 DBED C=CCN1CCN(C(=O)c2c[nH]nc2C)[C@@H]2CS(=O)(=O)C[C@@H]21 1094651057 GGYJLYIHTAYWNQ-QWHCGFSZSA-N 324.406 -0.172 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)c3cnns3)CC2=O)C1 1094712690 YYSUQXQETBYQEC-SECBINFHSA-N 307.379 -0.261 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)[C@@H](C)n3cncn3)CC2=O)C1 1094726301 LEPZUXLQKHHRDF-VXGBXAGGSA-N 318.381 -0.574 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2CC(=O)N(C3CN(CC#N)C3)C2)c1 1094783172 NJPHOGNUUYYXQN-CQSZACIVSA-N 323.356 -0.399 30 20 DBED C[C@H]1CCN(CC(=O)N[C@H]2CC(=O)N(C3CN(CC#N)C3)C2)C1 1094786977 HTVQYNPBNYPIQA-STQMWFEESA-N 319.409 -0.747 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)c3nc(C)c[nH]3)CC2=O)C1 1094792070 LNOFCCXYYFMPCZ-LLVKDONJSA-N 303.366 -0.081 30 20 DBED Cc1nc[nH]c1C(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1 1094820093 FDGFFKBYSLDCDT-SNVBAGLBSA-N 302.338 -0.743 30 20 DBED C[C@H](NC(N)=O)C(=O)N1CC[C@@H](Nc2cncc(C#N)n2)C1 1095029225 XAFOSOYYYOJLDV-DTWKUNHWSA-N 303.326 -0.582 30 20 DBED CC(=O)N[C@H](C)C(=O)N1CCC[C@@H](N=c2cc[nH]c(C#N)n2)C1 1095272727 GLDBTRJCQWHPFN-ZYHUDNBSSA-N 316.365 -0.302 30 20 DBED Cc1cc(N2CC[C@@H](NC(=O)CNC(N)=O)C2)c(C#N)cn1 1096322766 PRECHTRILFMQJE-LLVKDONJSA-N 302.338 -0.375 30 20 DBED CC(=O)N(C)CC(=O)N[C@@H]1CCN(c2ccnc(C#N)n2)C1 1096329738 XOQBWCFXTVURMW-LLVKDONJSA-N 302.338 -0.479 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@H]1C[C@@H](Nc2nccn3nnnc23)C1 1097176376 YDGPFUVMEFITBV-ISTVAULSSA-N 317.353 -0.095 30 20 DBED CC(=O)NCC(=O)NC[C@@H]1CCCCN1c1nccnc1C#N 1097385389 JIFBVTRTUJTWKG-LBPRGKRZSA-N 316.365 -0.041 30 20 DBED C[C@@H](CNC(=O)C[C@H]1CCC(=O)N1C)N=c1cc[nH]c(C#N)n1 1098184892 IHUQDGKPOAUTLO-WDEREUQCSA-N 316.365 -0.302 30 20 DBED CCn1nncc1C(=O)N[C@@H]1CCN(CC#CCOC)C[C@@H]1O 1099807772 VSWQGYSMBZTYON-OCCSQVGLSA-N 321.381 -0.887 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)CCn2ncn(C)c2=O)[C@@H](O)C1 1099936050 YSAHPMGJGAYAFW-STQMWFEESA-N 323.397 -0.901 30 20 DBED CC#CCCCC(=O)N[C@H]1CCN(Cc2nc(O)n[nH]2)C[C@H]1O 1099962559 QLHNMSILMKCOTP-NWDGAFQWSA-N 321.381 -0.245 30 20 DBED C=CCCN1CC[C@@H](NC(=O)CCCS(N)(=O)=O)[C@@H](O)C1 1099981840 ULTVLXVPDRSNJS-NEPJUHHUSA-N 319.427 -0.817 30 20 DBED CN(CCNC(=O)c1cc(=O)n(C)o1)c1ccc(C#N)nn1 1100077767 WBBYXDTXUYFUEK-UHFFFAOYSA-N 302.294 -0.494 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)Cc2ccc[nH]2)[C@@H](O)C1 1100113598 COXAEOAIIUEGOI-KBPBESRZSA-N 320.393 -0.589 30 20 DBED CN(CCNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc(C#N)cn1 1100227057 DVYLQPOLSJRNIR-GFCCVEGCSA-N 322.390 -0.060 30 20 DBED CNC(=O)NCC(=O)NCCN(C)c1snc(C)c1C#N 1100377092 LXCNDFOYIZMRFU-UHFFFAOYSA-N 310.383 -0.195 30 20 DBED CC[C@@H](CNC(=O)c1cn(C)nn1)N=c1cc[nH]c(C#N)n1 1103064859 SQPNDMNKZKOORK-VIFPVBQESA-N 300.326 -0.481 30 20 DBED C[C@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)CNc1nccnc1C#N 1104177427 VGVRVQLIYFZDSS-ONGXEEELSA-N 317.353 -0.464 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)C[C@@H]1CCC(=O)N1 1104614363 VTVSCOKMIMXYBQ-MNOVXSKESA-N 316.365 -0.302 30 20 DBED COC(=O)[C@H]1C[C@@H]1C(=O)N1CC(n2cc(CNCC#N)nn2)C1 1105187632 BGUCQRTYCPSCSL-RYUDHWBXSA-N 318.337 -0.916 30 20 DBED N#CCNCc1cn(C2CN(C(=O)c3ncccc3O)C2)nn1 1105218138 ZUXJQHVCLGGPRO-UHFFFAOYSA-N 313.321 -0.311 30 20 DBED Cc1cn(C)nc1C(=O)NC[C@@H](O)CNc1nccnc1C#N 1105819254 WJWYEGSOMQJZMM-JTQLQIEISA-N 315.337 -0.407 30 20 DBED C[C@@H](CC(N)=O)C(=O)NC[C@H](O)CNc1ccc(C#N)cn1 1106057577 CSCPKUUVYIREQA-GXSJLCMTSA-N 305.338 -0.646 30 20 DBED N#Cc1cnc(NC[C@@H](O)CNC(=O)[C@@]2(F)CCOC2)cn1 1106071754 ALJJPGYBWIEOPE-ZWNOBZJWSA-N 309.301 -0.634 30 20 DBED Cc1cc(=NC[C@H](O)CNC(=O)c2n[nH]cc2F)c(C#N)c[nH]1 1106082824 CKJZPKSMFPLQBP-JTQLQIEISA-N 318.312 -0.251 30 20 DBED CN1CCCC[C@@H]1C(=O)NC[C@H](O)CN=c1cc[nH]cc1C#N 1106165085 DHMICDZRDDDJSO-UKRRQHHQSA-N 317.393 -0.252 30 20 DBED C[C@@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)[C@@H]1COC(=O)N1 1106312665 CHOXIJVWAZUWEA-IUCAKERBSA-N 304.310 -0.815 30 20 DBED C[C@@H](CCN=c1cc[nH]cc1C#N)NC(=O)Cn1ncnn1 1106454655 PVTKEWNBXXBLIC-JTQLQIEISA-N 300.326 -0.631 30 20 DBED C=CCNC(=O)CNC[C@@H]1CN(C(=O)c2[nH]nnc2C)C[C@H]1C 1106511705 STMXZYMIJAQUIB-ZYHUDNBSSA-N 320.397 -0.287 30 20 DBED CCN(CCNc1cnc(C#N)cn1)C(=O)Cn1cncn1 1106770554 RRKFVFCMPZVTFY-UHFFFAOYSA-N 300.326 -0.100 30 20 DBED CCS(=O)(=O)CC(=O)NC/C=C/CNc1cnc(C#N)cn1 1107222160 JSXVWVBKRUCBOD-ONEGZZNKSA-N 323.378 -0.133 30 20 DBED C#CCNC(=O)CN1CCO[C@](C)(CNC(=O)/C=C/C2CC2)C1 1107840957 FQSRWMZDKGUZDA-DKRLNXSXSA-N 319.405 -0.091 30 20 DBED C[C@@]1(CNC(=O)c2ccoc2CC(N)=O)CN(CC#N)CCO1 1108162329 SDYWUVDUNMQCFM-OAHLLOKOSA-N 320.349 -0.348 30 20 DBED CC#CCN1CCO[C@](C)(CNC(=O)c2ccc(C(N)=O)[nH]2)C1 1108219709 JEXDIHRSERLXMC-MRXNPFEDSA-N 318.377 -0.042 30 20 DBED CC(C)(C(=O)NC[C@]1(C)CN(CC#N)CCO1)N1CCOCC1 1108282650 XSZIKUMZYUIRIN-MRXNPFEDSA-N 324.425 -0.172 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)CNC(=O)C(C)(C)C)C1 1108393356 OIENDGDEQYLSAE-INIZCTEOSA-N 309.410 -0.011 30 20 DBED CC#CCN1CC(N2C[C@H](NC(=O)[C@@H](CC)OC)CC2=O)C1 1108517782 OBYHIFFMHGFVLK-TZMCWYRMSA-N 307.394 -0.164 30 20 DBED C[C@@H](CN(C)c1nccn2nnnc12)NC(=O)CSCC#N 1108870070 XTEMIJJBGIDMNS-VIFPVBQESA-N 320.382 -0.283 30 20 DBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN(C)C(C)=O 1108956282 LJMUSLUTLNNQNE-RDBSUJKOSA-N 322.409 -0.512 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H]1CCCN1C 1109067874 KQFZKZCUXWBEFL-QPSCCSFWSA-N 318.421 -0.449 30 20 DBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCNC(N)=O 1110078491 OLVGQMPCLFDWPJ-WOPDTQHZSA-N 323.397 -0.932 30 20 DBED N#Cc1cccnc1NC[C@H]1CN(C(=O)CNC(N)=O)CCO1 1111931278 YGKIDQKMWLVZQN-NSHDSACASA-N 318.337 -0.739 30 20 DBED CN(CCCN(C)c1nccnc1C#N)C(=O)Cn1cnnn1 1112040264 BVACGLKXIXGUBM-UHFFFAOYSA-N 315.341 -0.680 30 20 DBED COCCC(=O)N1CCC(O)(CN=c2cc[nH]c(C#N)n2)CC1 1112445848 UZWMYASOMOXFNA-UHFFFAOYSA-N 319.365 -0.428 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)CCn2cccn2)CC1 1112613024 BZYWLOUZRMCAPQ-CQSZACIVSA-N 317.393 -0.445 30 20 DBED C=C(C)CCC(=O)N1CCN(CC(=O)N2CCNC(=O)C2)CC1 1112901418 MZPNWEGFLYQVHP-UHFFFAOYSA-N 322.409 -0.555 30 20 DBED C[C@H](NC(=O)CCNC(N)=O)[C@@H](C)N=c1cc[nH]c(C#N)n1 1113039128 PRISINOSDYCESD-BDAKNGLRSA-N 305.342 -0.866 30 20 DBED C=CCNC(=O)NC(=O)CN1CCN(C(=O)c2cnco2)CC1 1113171948 XSLGTGVHFLYODE-UHFFFAOYSA-N 321.337 -0.556 30 20 DBED CC(=O)N(C)CC(=O)NC[C@H](C)N(C)c1nccnc1C#N 1113497544 AJWSERDCBADKRK-JTQLQIEISA-N 304.354 -0.233 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)Cc2nc[nH]n2)CC1 1113518623 ULHIMNLLMRYPPW-NSHDSACASA-N 306.370 -0.818 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCN(C)C1=O)N(C)c1ccc(C#N)nn1 1113827371 ZHSQLASTYPMXTO-CMPLNLGQSA-N 316.365 -0.233 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)COCC3CC3)[C@H]2C1 1113922134 JGPPUHISCKMDIP-STQMWFEESA-N 305.378 -0.791 30 20 DBED CNC(=O)NCC(=O)NC[C@H](C)N(C)c1ncc(C#N)cc1F 1113939183 SETGUNWQPCFWPZ-VIFPVBQESA-N 322.344 -0.038 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)Cc3ccoc3)[C@H]2C1 1114166676 WPUQNNFXJIQLJV-VIKVFOODSA-N 301.346 -0.382 30 20 DBED C=CCCCN1C[C@H]2C(NC(=O)CCNS(C)(=O)=O)[C@@H]2C1 1114361430 NLDFOLDRLJIIJM-VXGBXAGGSA-N 315.439 -0.062 30 20 DBED N#Cc1ccc(N2CCCCC[C@H]2CNC(=O)C(N)=O)nn1 1114377610 NIDIVTAWQNZTCA-NSHDSACASA-N 302.338 -0.301 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)CN3CC[C@H](C)C3)[C@@H]2C1 1114831631 DRMVIRMOPIFSDF-BFHYXJOUSA-N 318.421 -0.876 30 20 DBED C[C@H]1C(=O)NCCN1C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1116040828 YKZYJBNJCCYOAJ-ZWVWWYOOSA-N 321.337 -0.957 30 20 DBED C#CCOCCNC(=O)C(=O)NC1CCC2(CC1)OCCO2 1117392062 VQINIMVGUARAHZ-UHFFFAOYSA-N 310.350 -0.446 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)NCCCCS(N)(=O)=O 1117704710 JUPKARNQQVYQMX-VIFPVBQESA-N 312.417 -0.877 30 20 DBED C=CCN(C(=O)C(=O)N1CC[C@@](C)(C(N)=O)C1)[C@H](C)COC 1118532170 VOBHBZMWPXCJCV-IAQYHMDHSA-N 311.382 -0.240 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@H](CO)Nc1ccc(C#N)nn1 1121405130 LEVIHJYNBDUMMD-BXUZGUMPSA-N 305.338 -0.436 30 20 DBED Cc1cc(C#N)nc(N[C@@H](CO)CNC(=O)Cn2ccnc2)n1 1121718598 OPNCOHKGQLOMNN-GFCCVEGCSA-N 315.337 -0.558 30 20 DBED Cc1nc[nH]c1C(=O)NC[C@@H](CO)Nc1nccnc1C#N 1121724902 WUPHFPHRVTZCHZ-VIFPVBQESA-N 301.310 -0.417 30 20 DBED CN1CC[C@H](CC(=O)NC[C@H](CO)Nc2cnc(C#N)cn2)C1 1121807834 YXHXMDNLVIFYQG-DGCLKSJQSA-N 318.381 -0.421 30 20 DBED CN(C)CCCCC(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1 1121847592 QOOJWYOQTUOAGI-GFCCVEGCSA-N 320.397 -0.609 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)Cc2cnoc2)nn1 1122390157 AJVUQZRGTLEUKB-LLVKDONJSA-N 302.294 -0.532 30 20 DBED C#CCOCCC(=O)N(C)C[C@@H](O)CN=c1cc[nH]c(C#N)n1 1124519202 IZFCKHOHDCINDO-LBPRGKRZSA-N 317.349 -0.959 30 20 DBED C=CCOCC(=O)NCCNC[C@H](O)COC[C@@H]1CCCO1 1124773190 OIKWKFKVBMJMJF-KBPBESRZSA-N 316.398 -0.549 30 20 DBED CN(C[C@H](O)CN(C)c1ccc(C#N)nn1)C(=O)c1nc[nH]n1 1125139383 JOQXFDUYNSWHGX-SNVBAGLBSA-N 316.325 -0.964 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C[C@@H](O)CN(C)c1ncccn1 1125162764 UBRHQLCNXVEYNQ-QWHCGFSZSA-N 306.366 -0.230 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1sccc1CN(C)C 1128544521 NUCQBVDNJFSRMC-UHFFFAOYSA-N 322.434 -0.122 30 20 DBED N#CCN1CCn2ncc(CNC(=O)CCCC(N)=O)c2C1 1128599029 KNVSDGVZYJXIBO-UHFFFAOYSA-N 304.354 -0.506 30 20 DBED CC(C)NC(=O)CN(C)CC(=O)N[C@H]1CC[C@@H](C)N(CC#N)C1 1132160730 QPOYADYZMRORQH-KGLIPLIRSA-N 323.441 -0.065 30 20 DBED CN1C[C@H](C(=O)NCCNCc2cccc(C#N)c2)NC1=O 1132382211 DYCDSXRQTGSTOD-CYBMUJFWSA-N 301.350 -0.212 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)CC[C@@H]1C 1133307165 VNIGWOZJZDQEIJ-QWHCGFSZSA-N 320.393 -0.364 30 20 DBED C=CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)CN1CCCC1=O 1133633159 OMMJIZGHOSGOGC-QWHCGFSZSA-N 324.425 -0.216 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)C[C@H](C)NCC(=O)N(C)CC 1134131025 PMUBXNDIUSBHKS-STQMWFEESA-N 324.425 -0.523 30 20 DBED C=C(Cl)CNCCNC(=O)C1(n2cnnn2)CCOCC1 1135111466 ZTJXNBGPVAZTSV-UHFFFAOYSA-N 314.777 -0.363 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)Cc1cnc[nH]1)NCC(=O)NCC#N 1135575643 JINAIUGDPVQIJN-WDEREUQCSA-N 306.370 -0.535 30 20 DBED C=CCN[C@@H](C)C[C@@H](C)NC(=O)CNC(=O)Cn1cncn1 1146581846 CXKSZJBQBQMTOB-NWDGAFQWSA-N 308.386 -0.547 30 20 DBED C=CCN1CCCO[C@H](CNC(=O)CN(C)S(C)(=O)=O)C1 1149804000 HYFKWPOSFZDMLT-GFCCVEGCSA-N 319.427 -0.729 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H](C)N(CC)Cc1nccn1C 1152882561 BAIJVUQXFTUZIQ-CYBMUJFWSA-N 319.409 -0.114 30 20 DBED C#CCNC(=O)CC(=O)N1CCCC[C@@H]1CN(C)CC(=O)NC 1157841466 QEWZZPXLSAXAPH-CYBMUJFWSA-N 322.409 -0.815 30 20 DBED C[C@@H](C#N)C(=O)NCCC1=CCN(CC(=O)NC(N)=O)CC1 1159587124 IOALOILFDUXLNX-JTQLQIEISA-N 307.354 -0.521 30 20 DBED CN1CC(=O)N(CC(=O)NCCC2=CCN(CC#N)CC2)C1=O 1161839423 RLROEGLLRNHQSZ-UHFFFAOYSA-N 319.365 -0.458 30 20 DBED C#CCN1CCC(CNC(=O)Cn2ncnn2)(COC)CC1 1162275162 ATQVLSNSMXNNQD-UHFFFAOYSA-N 306.370 -0.849 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)CN1CC[C@H](C)C1 1166677777 MWFXIAKJIGLPBM-UONOGXRCSA-N 308.426 -0.438 30 20 DBED C=CCCC(=O)N1CC[C@@H](NC[C@@H](O)CN2C(=O)CCC2=O)C1 1181534748 CEAJKGAHODTZCT-CHWSQXEVSA-N 323.393 -0.347 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2cnc(C)n2C)C1 1185167341 OZXPAXJFGJDCHL-GFCCVEGCSA-N 303.366 -0.718 30 20 DBED CCN(CCC#N)C(=O)CN[C@@H]1CCN(C(=O)CCN(C)C)C1 1185384956 IDNBELMNEZWHJS-CQSZACIVSA-N 323.441 -0.109 30 20 DBED N#CCN1C[C@@H]2CCN(C(=O)CNC(=O)c3ccncc3)[C@@H]2C1 1187991693 VDKGKSOFOYOMOT-UONOGXRCSA-N 313.361 -0.132 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CCCCN2CC)C1 1188139267 KBPZQHFSPKKNAW-CABCVRRESA-N 320.437 -0.199 30 20 DBED C#CCOCCC(=O)N1CC[C@H](N(C)Cc2nc(O)n[nH]2)C1 1190129203 QZBTWGUAIWCUNM-NSHDSACASA-N 307.354 -0.417 30 20 DBED C#CCOCCC(=O)N1CC[C@H](N(C)[C@@H](C)c2nnnn2C)C1 1190129285 SIAYNFONOOXVSP-STQMWFEESA-N 320.397 -0.156 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CN(CCO[C@H]2CC2(F)F)C[C@H]1O 1192828130 YVRSYQDCNZMYJE-UPJWGTAASA-N 314.332 -0.015 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)Cc2nc[nH]n2)C1 1193381971 CRFCVIAUIDQNAO-NSHDSACASA-N 306.370 -0.818 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)c2cccnc2OC)C1 1195821830 OZSLVMVSRQDREM-ZIAGYGMSSA-N 319.361 -0.485 30 20 DBED CCC[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1O 1195991248 WXZMBWGYKNVQPY-FDYHWXHSSA-N 308.382 -0.776 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2cc(C)[nH]c2C)C1 1196437225 PJGJEEOVVDQJMB-ZIAGYGMSSA-N 320.393 -0.291 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)c2cc(C)nc(C)n2)C1 1196891692 DSRBVOBNBCSZRS-HUUCEWRRSA-N 318.377 -0.482 30 20 DBED C[C@H](NC(=O)CC(C)(C)C)C(=O)N[C@@H]1CN(CC#N)C[C@H]1O 1197723016 CELVPDFAJVGCDG-QJPTWQEYSA-N 310.398 -0.388 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CCN(C(=O)[C@@H]2CCOC2)CC1 1199620771 AUGIVJFMEFRIKJ-CHWSQXEVSA-N 307.394 -0.259 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)C[C@@H]2CCNC2=O)CCCO1 1200681323 ZLBFIWMXDRFPMI-UONOGXRCSA-N 307.394 -0.257 30 20 DBED CCC[C@@H](C(=O)N1CCC(NCC#N)CC1)S(N)(=O)=O 1201808563 BXQJWUKRARQQSC-NSHDSACASA-N 302.400 -0.452 30 20 DBED C#CCNC[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C)C2)CCCO1 1201824127 PSGPJIPIEVYUIM-UONOGXRCSA-N 307.394 -0.305 30 20 DBED N#CCNCC1CCN(C(=O)CCCn2c(O)nnc2O)CC1 1205580353 DZASSQSWCJUPAZ-UHFFFAOYSA-N 322.369 -0.179 30 20 DBED Cc1[nH]nc(C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@H]2C)c1O 1206874353 OZCNWKZXGNSBBQ-PSASIEDQSA-N 320.353 -0.886 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)Cc2ccon2)C1 1207725225 KUUKTDIJHNMIQG-TZMCWYRMSA-N 318.377 -0.064 30 20 DBED CN(C)S(=O)(=O)CCC(=O)N1CCC[C@H](NCC#N)C1 1211219078 HJFQKARLMBXXLJ-NSHDSACASA-N 302.400 -0.628 30 20 DBED COCC#CCN1C[C@@H](NC(=O)c2cc(C)nn2C)[C@H](OC)C1 1211944614 FYFFVYLAWRXSFT-UKRRQHHQSA-N 320.393 -0.193 30 20 DBED C=C(C)CN1C[C@@H](NC(=O)[C@@H](C)NS(C)(=O)=O)[C@H](OC)C1 1213491111 JQTIBQFEASMOOP-IJLUTSLNSA-N 319.427 -0.684 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)C(C)(C)S(C)(=O)=O 1213506697 PDDDYZZEOCDKTG-NXEZZACHSA-N 303.384 -0.851 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)C[C@@H]2CCCO2)C[C@H]1C 1214193822 QBWQXRPKQNOAJN-HZSPNIEDSA-N 307.394 -0.259 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2cc(C)c(C)o2)C1 1219457794 IEEDPKGUATUGQD-OLZOCXBDSA-N 319.361 -0.579 30 20 DBED C#CCCCCC(=O)N[C@@H]1CN(CCn2cncn2)C[C@@H]1O 1219490665 UAXVNGAUPDEBAG-KGLIPLIRSA-N 305.382 -0.367 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN([C@H](C)C(=O)NC2CC2)C[C@@H]1O 1219588736 JGJCTWZNDMSALA-BNOWGMLFSA-N 307.394 -0.526 30 20 DBED CC(C)(C)C#CC(=O)N[C@@H]1CN(CC(=O)N2CCC2)C[C@@H]1O 1219596457 WBWFNWKKUHMUDZ-OLZOCXBDSA-N 307.394 -0.571 30 20 DBED NC(=O)NC(=O)CN1CC[C@@H]2CN(C(=O)C#CC3CC3)[C@@H]2C1 1221530467 MNFSCJMWBXTZFF-VXGBXAGGSA-N 304.350 -0.873 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1COCCO1 1224890658 AZGIJAVFHANBTC-MCIONIFRSA-N 323.393 -0.832 30 20 DBED C#CCN1CCS(=O)(=O)[C@@H](CCNC(=O)c2cccnc2)C1 1230410765 NWOYVVDDGMTEQO-AWEZNQCLSA-N 321.402 -0.066 30 20 DBED CN(C[C@@H]1CCN1CC(=O)NCC#N)C(=O)[C@H](C1CC1)N(C)C 1235336198 OQXILEWLTNMIOF-ZFWWWQNUSA-N 321.425 -0.501 30 20 DBED CCOCCOC[C@H](O)CNC(=O)Cc1noc(C)c1C#N 1255723752 YQPVJDJFGFELSO-LLVKDONJSA-N 311.338 -0.073 30 20 DBED CCN1CCCN(C(=O)C(=O)N2CC[C@](F)(C#N)C2)CC1=O 1261345849 YQNSZKPVSNYDIH-AWEZNQCLSA-N 310.329 -0.469 30 20 DBED CN(C(=O)NCC#CCO)C1CCN(S(C)(=O)=O)CC1 1262195778 LDYYATFJVBAMJM-UHFFFAOYSA-N 303.384 -0.953 30 20 DBED N#CCN1CCC(NC(=O)N2CC[C@H](S(N)(=O)=O)C2)CC1 1320835947 JTWUCSGXZPQUBC-NSHDSACASA-N 315.399 -0.953 30 20 DBED C#CCNC(=O)C1CCN(C(=O)N[C@@H](C)C[S@](C)=O)CC1 1321257883 KVXSWUDMWCCALU-MQJDWESPSA-N 313.423 -0.076 30 20 DBED CCC(=O)N1CC[C@@H](NC(=O)C(=O)N2CC[C@](F)(C#N)C2)C1 1323278206 NEALZNUZKTXDPL-YGRLFVJLSA-N 310.329 -0.422 30 20 DBED C=C(C)COCCNC(=O)C(=O)N1CCC(NC(C)=O)CC1 1323604341 UPNBKABZNVEMMB-UHFFFAOYSA-N 311.382 -0.178 30 20 DBED C#CCCCC(=O)N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 1324606470 CMVKMSIWLCITIE-CHWSQXEVSA-N 314.407 -0.908 30 20 DBED CC#CC[C@H](CO)NC(=O)C(=O)Nc1nc2n(n1)CCCC2 1326835007 SZMYOFCLJMCMER-SNVBAGLBSA-N 305.338 -0.557 30 20 DBED C#CCCS(=O)(=O)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1327116216 SHMFSJNQAZJORN-ZDUSSCGKSA-N 313.379 -0.350 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1C[C@@H]2[C@@H](C1)C2(C)C 1327403088 KCEOZVIDOPQNKH-GHMZBOCLSA-N 314.407 -0.182 30 20 DBED C#CCSCCNC(=O)C(=O)N1CC[C@@H]2NC(=O)CC[C@H]2C1 1328075270 ZOTMPPRLICCRAF-RYUDHWBXSA-N 323.418 -0.404 30 20 DBED C[C@@H](C(=O)NCCCc1nnc(S)n1C)n1cnc(C#N)n1 1330478266 ASIYNPUAMQNXGU-QMMMGPOBSA-N 320.382 -0.123 30 20 DBED CCOC(=O)[C@H]1CCN(C(=O)C(=O)N2CCO[C@@H](C#N)C2)C1 1338032083 YXCRXCQTDCXADI-QWRGUYRKSA-N 309.322 -0.851 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)Nc1ccc(=O)n(CCOC)c1 1338111880 ILPMCQJQWBOBCI-NSHDSACASA-N 323.349 -0.250 30 20 DBED C=CCn1c([C@@H]2CC=NO2)nnc1N1CCO[C@@H](C(=O)NC)C1 1342223998 AWCBFZVWADAEAF-WDEREUQCSA-N 320.353 -0.138 30 20 DBED C=CCNC(=O)Cn1nnnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1355580673 BASJOFOYJHFNDW-RYUDHWBXSA-N 322.369 -0.641 30 20 DBED Cn1c(C#N)ccc1C(=O)N1CCN(CCn2cncn2)CC1 1362266592 RGSKQLPKKOGZOA-UHFFFAOYSA-N 313.365 -0.054 30 20 DBED CS(=O)(=O)c1ccccc1CNC(=O)Cn1cnc(C#N)n1 1363056634 MCLFLFGBWAWXGQ-UHFFFAOYSA-N 319.346 -0.130 30 20 DBED CS(=O)(=O)[C@@H]1CCN(Cc2cc(O)n3ncc(C#N)c3n2)C1 1363221336 AYKCKSZWEZXPNS-LLVKDONJSA-N 321.362 -0.075 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N[C@H](CO)C[C@@H]1CCCO1 1364933690 GXVMMBJTZYXAFM-WOPDTQHZSA-N 305.400 -0.015 30 20 DBED C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)[C@H](C)n1cncn1 1372823014 IHWXIKOZGUKQJZ-UWVGGRQHSA-N 315.337 -0.026 30 20 DBED Cc1ncc(CNC[C@H](O)CNC(=O)c2cc(C#N)c[nH]2)cn1 1379183657 QDLNJGSMHGNWDH-ZDUSSCGKSA-N 314.349 -0.135 30 20 DBED CCN(C(=O)CCNC(=O)NC)[C@@H]1CCN(C(=O)[C@H](C)C#N)C1 1390110966 NYLFFNKWYMSYAT-VXGBXAGGSA-N 323.397 -0.085 30 20 DBED C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)CN2CCNC(=O)C2)C1 1397090778 ZQKIEVUYPBCLPB-TXEJJXNPSA-N 314.817 -0.345 30 20 DBED CCOc1nnc(CNC[C@@H](O)CNC(=O)[C@@H](C)C#N)s1 1401488182 DTQAPTLETXDDKK-DTWKUNHWSA-N 313.383 -0.337 30 20 DBED C=C(Br)CN[C@@H](C)CNC(=O)CNC(=O)NC 1402886799 CRMIGTNHXNHPSZ-QMMMGPOBSA-N 307.192 -0.082 30 20 DBED CO[C@]1(CNC(=O)CCn2cc(C#N)c(O)nc2=O)CCOC1 1412773380 LERUPYPFUOYOJL-AWEZNQCLSA-N 322.321 -0.868 30 20 DBED Cc1c(C#N)c(=O)n(CCN2CCNC2=O)c(=O)n1C1CC1 1413920247 QHYULLZEUYBMSU-UHFFFAOYSA-N 303.322 -0.450 30 20 DBED Cc1cc(C(=O)NC[C@]2(O)CCN(C(=O)[C@H](C)C#N)C2)n[nH]1 1417439551 JOILZQUAXGMJTF-YMTOWFKASA-N 305.338 -0.429 30 20 DBED CC[C@H](C#N)C(=O)NC1(C(=O)OC)CCS(=O)(=O)CC1 1417725909 NUICONJUIJACFR-SECBINFHSA-N 302.352 -0.227 30 20 DBED CCN(CCN[C@@H](C)C(=O)NC(=O)NC1CC1)C(=O)[C@H](C)C#N 1422429545 SWZOUUFNECOUCH-MNOVXSKESA-N 323.397 -0.039 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)CCS(C)(=O)=O)CC1 1432294248 KVCYURCGHUFUFJ-SECBINFHSA-N 301.368 -0.654 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1cc(N(C)C)ccn1 1433326419 ZXPJZJDNLZVSAQ-CMPLNLGQSA-N 319.365 -0.486 30 20 DBED CC(=O)N(C)CC(=O)N1CC[C@@](C)(CNC(=O)[C@H](C)C#N)C1 1434212537 HEZLTARFHIXSRC-ABAIWWIYSA-N 308.382 -0.021 30 20 DBED C[C@H](CN(C)C(=O)c1cn(C)nn1)NC(=O)c1cc(C#N)c[nH]1 1443789869 GMELIJCJTNIPOD-SECBINFHSA-N 315.337 -0.095 30 20 DBED C[C@H](C#N)C(=O)NCCN(C(=O)CN1CCCNC1=O)C1CC1 1449944807 YRPRLQRGMDYCEY-LLVKDONJSA-N 321.381 -0.331 30 20 DBED N#Cc1ccnc(C(=O)N2CCC[C@@H](CNS(N)(=O)=O)C2)c1 1464212928 OFUNWIXZWVXWEJ-NSHDSACASA-N 323.378 -0.401 30 20 DBED COc1cc(C(=O)N2CC[C@H](NCC(=O)NCC#N)C2)sn1 1480614663 FPIUANAJIZKCEL-VIFPVBQESA-N 323.378 -0.404 30 20 DBED C=CCn1c(Cc2nc[nH]n2)nnc1N1CCN(C)C(=O)[C@H]1C 1520391675 AUHQKIYOTNIZPY-SNVBAGLBSA-N 316.369 -0.160 30 20 DBED CN(CCNC(=O)c1cc(C#N)c[nH]1)C(=O)[C@H]1CC[C@@H]1C(N)=O 1528019507 XRKMYWSIEBBCMV-QWRGUYRKSA-N 317.349 -0.414 30 20 DBED CNC(=O)NCC(=O)N1CCC(CCNC(=O)[C@H](C)C#N)CC1 1531837874 OZEBCLNGWHDQQU-LLVKDONJSA-N 323.397 -0.180 30 20 DBED Cc1cc(C)n(CC(=O)NC[C@H](O)CNC(=O)[C@@H](C)C#N)n1 1533297840 CNZWEMXTDOUAAS-CABZTGNLSA-N 307.354 -0.747 30 20 DBED N#C[C@@H]1COCCN1C[C@@H](O)CC1(O)CCC(C(=O)O)CC1 1574242359 UWDCZOLRYSIFJJ-ICRTXTNUSA-N 312.366 -0.032 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1CC[C@H]2CNC[C@H]21 1579026148 NRXMKESYWUOMEI-NWDGAFQWSA-N 302.400 -0.613 30 20 DBED C#CCOCCC(=O)N[C@@H](C)CN=c1cc[nH]c(C(=O)O)n1 1588489550 CXLDRWCGIGVJMB-JTQLQIEISA-N 306.322 -0.447 30 20 DBED C=CCC(C)(C)C(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@@H]2C(=O)O)C1 1588731740 NTEIMAVSHDLWQY-MNOVXSKESA-N 324.377 -0.001 30 20 DBED C=CCn1cc(CNC(=O)N2CC[C@](OC)(C(=O)O)C2)nn1 1588909379 RMXTUJWETBJDPQ-CYBMUJFWSA-N 309.326 -0.151 30 20 DBED COC(=O)c1cccc([C@H](NCC(=O)NCC#N)C(=O)O)c1 1610217467 HOLIZRJTAHGVOX-LBPRGKRZSA-N 305.290 -0.172 30 20 DBED N#Cc1cc(=O)n(CC(=O)NC2CCC3(CC2)OCCO3)cn1 1649848667 OPERXOUOAUWKEO-UHFFFAOYSA-N 318.333 -0.083 30 20 DBED CN(C(=O)C#CC1CC1)C1CCN(CC(=O)NCC#N)CC1 1752299387 FNGVZZGVWXEZDQ-UHFFFAOYSA-N 302.378 -0.038 30 20 DBED C[C@@H](C(=O)NC(N)=O)N(C)C[C@@H]1CCN(C(=O)C#CC2CC2)C1 1753348007 MJFRUKANRUAKOR-AAEUAGOBSA-N 320.393 -0.237 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)CNC(=O)C3CC3)C2)C1=O 1753371274 IAEYVRGHKVDMQN-CYBMUJFWSA-N 320.393 -0.900 30 20 DBED CN(C)S(=O)(=O)CC(=O)N1CC[C@@H]2[C@@H](CCN2CC#N)C1 1753876319 UABFTIQEKNJUCL-NWDGAFQWSA-N 314.411 -0.676 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@H](C)NC(=O)c1n[nH]c2c1CCC2 1754273930 LNXJZQGZEBTODN-QWRGUYRKSA-N 317.393 -0.256 30 20 DBED C=CCNC(=O)CN1CCC(C)(NC(=O)CC(=O)NCC)CC1 1754626312 XQIFDMQXUVGEDR-UHFFFAOYSA-N 324.425 -0.215 30 20 DBED C#CCCN1CCC(C)(NC(=O)Cn2ccc(O)nc2=O)CC1 1754627321 HUAOEGKJHIQYET-UHFFFAOYSA-N 318.377 -0.057 30 20 DBED CC#CCN[C@H](C)[C@H]1CCN(C(=O)c2nnc(O)nc2O)C1 1754801453 PQFLQDFNLDZFPA-ZJUUUORDSA-N 305.338 -0.254 30 20 DBED N#CCNC(=O)CN1CCC[C@H](NC(=O)c2cnon2)CC1 1755031675 XNPHKOUCIUUTAV-JTQLQIEISA-N 306.326 -0.706 30 20 DBED CC(C)NC(=O)CN[C@@]1(CO)CCCN(C(=O)C#CC2CC2)C1 1755083839 ZOKYLCBSEREEER-KRWDZBQOSA-N 321.421 -0.133 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)c2ccn(C)n2)C[C@@H]1C 1755166148 WCAKGBLJYBVHBL-QWHCGFSZSA-N 317.393 -0.248 30 20 DBED C=CCNC(=O)CN1CC([C@H](C)NC(=O)c2ncn(C)n2)C1 1755373088 HALKVOLHTOILGV-JTQLQIEISA-N 306.370 -0.833 30 20 DBED N#CCNC(=O)CN1C[C@H]2[C@H](CNC(=O)[C@H]3CC34CC4)[C@H]2C1 1755429871 MAKKOCMESQCUKI-FVCCEPFGSA-N 302.378 -0.280 30 20 DBED COCC1(C(=O)N[C@H]2C[C@H](CNCC(=O)NCC#N)C2)CCC1 1755475216 SAEKLSZYWKFTOF-JOCQHMNTSA-N 322.409 -0.073 30 20 DBED C#CCNCCC[C@H](C)NC(=O)C[C@@]1(C)CCS(=O)(=O)N1 1755522415 NKZNGUXECVCOPQ-GXTWGEPZSA-N 315.439 -0.034 30 20 DBED C=CCNC[C@@H](O)CN(C)C(=O)c1ccc(S(N)(=O)=O)o1 1755790381 HNDCTQCZVSIKQA-SECBINFHSA-N 317.367 -0.865 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)[C@@H](C)NC(=O)COC(C)C 1755956732 TVEQHWXGSTZJMU-VXGBXAGGSA-N 311.382 -0.440 30 20 DBED CC(C)C#CC(=O)N1CC(CCO)(NC(=O)c2cn(C)cn2)C1 1756080392 HEFDZJMTJYYGPZ-UHFFFAOYSA-N 318.377 -0.227 30 20 DBED C#Cc1cncc(C(=O)NC[C@H](CO)NC(=O)[C@H](C)OCC)c1 1756547975 HFBZBCWJHXYMEK-SMDDNHRTSA-N 319.361 -0.305 30 20 DBED C#CCOCCC(=O)N1CCCO[C@H](CNC(=O)COC)C1 1756838265 OLUXERWKWNQNBN-CYBMUJFWSA-N 312.366 -0.594 30 20 DBED C=CCCC(=O)N[C@@H]1CN(C(=O)c2cc(C(N)=O)c[nH]2)C[C@@H]1O 1757160933 KWJORRPVIJWQMH-NEPJUHHUSA-N 320.349 -0.619 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@H](NC(=O)[C@H](COC)OC)C1 1757209041 HVBSTSRYAYCZAN-WOPDTQHZSA-N 300.355 -0.698 30 20 DBED C#CCNC(=O)CNS(=O)(=O)c1cc(C(=O)O)oc1CC 1776134723 FTZZOUUJAIIELC-UHFFFAOYSA-N 314.319 -0.432 30 20 DBED CCN(CCC#N)S(=O)(=O)N1C[C@@H](C(=O)O)C[C@@H](OC)C1 1776863613 FZXQQAFWFBPAEI-WDEREUQCSA-N 319.383 -0.112 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CCCOC1)CCO2 1783054441 JIVUFOXKSYWUMM-CJNGLKHVSA-N 306.362 -0.124 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CCCOC1)CCO2 1783054442 JIVUFOXKSYWUMM-CZUORRHYSA-N 306.362 -0.124 30 20 DBED CC(=O)NC1CCN(C2CCN(C(=O)C#CC(=O)O)CC2)CC1 1834551824 AZRRRIHXEPKSQB-UHFFFAOYSA-N 321.377 -0.334 30 20 DBED CCS(=O)(=O)CC(=O)N1CCCC12CN(C(=O)CC#N)C2 1841585152 VHKPGSPVMCXBLQ-UHFFFAOYSA-N 313.379 -0.462 30 20 DBED COCCCn1ccc(Nc2c(C#N)c(=O)n(C)c(=O)n2C)n1 78334586 YKDCHJOLVQBKPO-UHFFFAOYSA-N 318.337 -0.068 30 20 DBED N#Cc1ccc(C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)[nH]1 158553235 LAURRMPQLZFJHX-UHFFFAOYSA-N 315.333 -0.551 30 20 DBED C=C(C)CS(=O)(=O)N1CCN(CC(=O)NC2CC2)CC1 184311149 WHYRGHICUIJYRH-UHFFFAOYSA-N 301.412 -0.212 30 20 DBED C=C(Cl)CNC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 265496200 HEPBUFMGOSLTDQ-ZJUUUORDSA-N 320.798 -0.109 30 20 DBED C#CCN1CCC(C(=O)Nc2nnc(CC(=O)OC)[nH]2)CC1 265648622 XTTBBCPYOHIJJS-UHFFFAOYSA-N 305.338 -0.196 30 20 DBED C=CCNC(=O)CNC(=O)c1cc(S(=O)(=O)NC)cs1 272003670 WXZBSWKXCWZVRH-UHFFFAOYSA-N 317.392 -0.312 30 20 DBED C=C[C@H](CO)NC(=O)C1=NN(c2ccccc2)C(=O)[C@H](C)N1 292679213 MLBZHKPRGPQMAC-WDEREUQCSA-N 302.334 -0.012 30 20 DBED CC#CCN(C)C(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 294587582 PAMHXMAXCAIOAA-NEPJUHHUSA-N 312.391 -0.496 30 20 DBED C=CCN(CC=C)C(=O)C(=O)N1CCN(C(C)(C)C(N)=O)CC1 297445103 GQMYWYQHCOTQHH-UHFFFAOYSA-N 322.409 -0.405 30 20 DBED C[C@H](C/N=C(/O)Cn1ncn(C)c1=O)CN1CCN(C)CC1 329100909 MTLIMEVXOLORHH-GFCCVEGCSA-N 310.402 -0.578 30 20 DBED O=S1(=O)CCCC[C@@H]1C/N=C(/O)CN1CCCS1(=O)=O 329657751 NIGNUBSKQMWRKX-SNVBAGLBSA-N 324.424 -0.054 30 20 DBED CN1C[C@H](N/C(O)=N/[C@H]2CCCN(S(C)(=O)=O)C2)CC1=O 329938580 SNXLNTPPDBQRKX-VHSXEESVSA-N 318.399 -0.855 30 20 DBED CN(C)C(=O)[C@@H]1CC[C@@H](C/N=C(/O)NCC(F)(F)CO)O1 330961434 BAPFNXPFDFDTFU-IUCAKERBSA-N 309.313 -0.247 30 20 DBED Cc1cnc(/C(O)=N/CCNS(=O)(=O)NC(C)C)cn1 331179319 QXZTUWZOFNEEBS-UHFFFAOYSA-N 301.372 -0.078 30 20 DBED C=C[C@@H]1OCC[C@H]1NC(=O)N1CCN(S(C)(=O)=O)CC1 333056955 CNUMXQZZRAGRBU-MNOVXSKESA-N 303.384 -0.383 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N[C@H]2c3ccccc3C[C@@H]2O)CCO1 336882596 CAUOLGFNCRWSLK-XBFCOCLRSA-N 323.374 -0.297 30 20 DBED COC(=O)[C@H](CC(C)C)NS(=O)(=O)N1CCO[C@H](C#N)C1 336928102 YQESDQVKRDMADB-MNOVXSKESA-N 319.383 -0.367 30 20 DBED CCN(CCC(=O)OC)S(=O)(=O)N(CCC#N)CCOC 336928779 XUVQLHKARRYLMW-UHFFFAOYSA-N 321.399 -0.022 30 20 DBED C[C@@H]1CCCN(S(=O)(=O)N2CCO[C@H](C#N)C2)[C@@H]1CO 336950728 TZEKDXFYYNQMIW-IJLUTSLNSA-N 303.384 -0.452 30 20 DBED CC(C)N1CC[C@H](NS(=O)(=O)N2CCO[C@@H](C#N)C2)C1=O 337079475 WGKXDWMDBVHCDM-QWRGUYRKSA-N 316.383 -0.946 30 20 DBED CCN(CCC#N)S(=O)(=O)N(CCO)C1CCOCC1 337176047 JCONCEZMKZZCKZ-UHFFFAOYSA-N 305.400 -0.060 30 20 DBED C[C@@H]1CN(S(=O)(=O)N(C)[C@H](C)CC#N)C[C@@H](C(N)=O)O1 337888379 FPUTUHWSMHXLMY-BBBLOLIVSA-N 304.372 -0.960 30 20 DBED CCN(CCC#N)S(=O)(=O)N1C[C@H](C)O[C@@H](C(=O)OC)C1 337960270 NIZUBGIQMQTCGT-WDEREUQCSA-N 319.383 -0.271 30 20 DBED C=CCCOCCNC(=O)CNS(=O)(=O)c1cnn(C)c1 339891117 YMJWNYQGPWUOFE-UHFFFAOYSA-N 316.383 -0.593 30 20 DBED COC(=O)CCN1CC[C@H](NC(=O)N2CCO[C@@H](C#N)C2)C1=O 347146953 CYSRRRYVPCJHTI-QWRGUYRKSA-N 324.337 -0.916 30 20 DBED CC(C)n1cc(C#N)c(NC(=O)C(=O)N[C@H](C)[C@@H](C)CO)n1 359390977 PKEQKROJIIRZST-VHSXEESVSA-N 307.354 0.407 30 20 DBED Cn1c(N[C@@H]2CCc3c[nH]nc3C2)c(C#N)c(=O)n(C)c1=O 370448310 DOCCYCIDONGUIK-SECBINFHSA-N 300.322 -0.352 30 20 DBED C=C(C)CS(=O)(=O)N1CCC[C@@H](CNS(N)(=O)=O)C1 408407451 XFXYYIINLUTWIA-JTQLQIEISA-N 311.429 -0.603 30 20 DBED C[C@H]1CCN(C)CCN1C(=O)C(=O)Nc1ccn(CCC#N)n1 439347085 JJICRPZSVMQKSZ-LBPRGKRZSA-N 318.381 0.288 30 20 DBED C#CCN1CCC(C(=O)N2CC[C@H](S(=O)(=O)NC)C2)CC1 490865692 GGDXEFJDTFJCRI-ZDUSSCGKSA-N 313.423 -0.518 30 20 DBED C#CCN=c1[nH]c(=N[C@H](C)COC)[nH]c(=N[C@H](C)COC)[nH]1 491220648 PESBUOXXGUDBMN-GHMZBOCLSA-N 308.386 -0.924 30 20 DBED N#Cc1cccn(CN2CCN(S(=O)(=O)C3CC3)CC2)c1=O 530103550 WBIJXKURIXFINU-UHFFFAOYSA-N 322.390 -0.213 30 20 DBED C[C@H](C#N)CNS(=O)(=O)c1cccc(S(N)(=O)=O)c1 531303341 YODPTENRAPJHAJ-MRVPVSSYSA-N 303.365 -0.228 30 20 DBED CC(C)(C#N)CCS(=O)(=O)N1CCN(C(=O)CO)CC1 554897798 BYBSJLKAJGXGTC-UHFFFAOYSA-N 303.384 -0.607 30 20 DBED COc1cc(C#N)ccc1OCC(=O)N[C@H](CO)CN(C)C 588866972 UACUTBKYLHWWFA-LBPRGKRZSA-N 307.350 -0.016 30 20 DBED CC[C@@H](CNS(C)(=O)=O)NC(=O)N1CC[C@@](O)(CC#N)C1 592027232 FUVJBUDQFSGHLY-JQWIXIFHSA-N 318.399 -0.626 30 20 DBED C[C@H](O)C1(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 598387227 SIOKBGWUGBIIAY-JTQLQIEISA-N 323.374 -0.134 30 20 DBED C[C@H]1C[C@@H](CO)CN(C(=O)C(=O)N2CCN(CCC#N)CC2)C1 601497315 RKSGJEFTTCJOBM-UONOGXRCSA-N 322.409 -0.479 30 20 DBED CC(=O)N[C@@H](CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)C(N)=O 610114477 PCDCRSSWDRBXGC-QWHCGFSZSA-N 323.397 -0.941 30 20 DBED C=C[C@H](C(=O)OC)N1CCC(N2CCS(=O)(=O)CC2)CC1 619720702 QBLQVBBABDVNAO-CYBMUJFWSA-N 316.423 -0.091 30 20 DBED C=CCN1CC[C@H](OC(=O)Cn2cc(C(=O)OC)nn2)C1=O 798661788 VXSMQXXLXOZCJP-JTQLQIEISA-N 308.294 -0.605 30 20 DBED C#CCC[C@@H](O)CNC(=O)[C@](C)(O)Cn1ccc(C)cc1=O 799074520 KRUROFSYIXANMH-CZUORRHYSA-N 306.362 -0.202 30 20 DBED C=C[C@@H](O)C(=O)OCC(=O)Nc1ccc(S(N)(=O)=O)cc1 814548107 NYUZUTMJFIOGEO-SNVBAGLBSA-N 314.319 -0.637 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N[C@@H](C)Cn1ccnc1 827190017 POBIKJHQAKMPNI-ZDUSSCGKSA-N 306.366 -0.114 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)NCc1ccnc(C)n1 827353004 WEOCJKVUBGLSKE-UHFFFAOYSA-N 304.350 -0.100 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@](C)(CC)OC)CC1 831575090 WUYQLRBUTXTBRB-ZDUSSCGKSA-N 317.411 -0.587 30 20 DBED Cc1nn(CC(=O)OCC(=O)N[C@](C)(C#N)C(C)C)c(=O)n1C 848846474 UULKJPOUAQSCLZ-CQSZACIVSA-N 323.353 -0.512 30 20 DBED C#CCN(CC#CC)C(=O)NCCNS(=O)(=O)N(C)C 854107687 KEJBQUNDBKUUST-UHFFFAOYSA-N 300.384 -0.950 30 20 DBED C#CCCN(CCOC)C(=O)c1ccc(S(N)(=O)=O)nc1 856389582 XUYRRECBVKGOSF-UHFFFAOYSA-N 311.363 -0.159 30 20 DBED C=C(Cl)C[C@@H](N)C(=O)N1CCN(CC(=O)NC2CC2)CC1 876712696 TWUHBCFCMXLPRG-GFCCVEGCSA-N 314.817 -0.121 30 20 DBED CCc1ccc(C#CC(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)cc1 913366487 DIHPAPDUMIUQTP-ZIAGYGMSSA-N 307.371 -0.125 30 20 DBED C#CC[C@@H](CO)NC(=O)NC[C@H](C(C)C)N1CCN(C)CC1 913998927 SMKLHIFTDMQIKK-LSDHHAIUSA-N 310.442 -0.058 30 20 DBED CN(C(=O)[C@H]1C[C@H]1C(N)=O)[C@H]1CCN(C(=O)C#CC2CC2)C1 937353026 OBVOEYJRMMKOAO-XQQFMLRXSA-N 303.362 -0.420 30 20 DBED C=CCCN1CCN(C(=O)c2c[nH]nc2S(N)(=O)=O)CC1 950417162 PXBJFLHIPOOKFQ-UHFFFAOYSA-N 313.383 -0.609 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(N(C)C(=O)[C@@H]2COC(=O)N2)CC1 953906272 XNSXIDWNTJCWDH-ONGXEEELSA-N 308.338 -0.296 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@](C)(NC(=O)[C@H]2CNC(=O)N2)C1 957454817 HSMFURGOVYZEES-BMIGLBTASA-N 308.382 -0.013 30 20 DBED C=CCN1C[C@H](O)[C@H](CNC(=O)c2cnc3nccn3c2)C1 958258920 XNZBJVGBEHUONW-YPMHNXCESA-N 301.350 -0.062 30 20 DBED C=CCN1C[C@H](CNC(=O)C2CCN(C(N)=O)CC2)[C@@H](O)C1 958662419 SLYBURJZODHUNO-STQMWFEESA-N 310.398 -0.628 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)c1ncccn1 964318868 HYXPBJDAYMWPKY-WDEREUQCSA-N 303.322 -0.407 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)c2cc(C3CC3)[nH]n2)C1 970884082 TUHOSDYHEBRVSV-CKLFPEKLSA-N 317.349 -0.252 30 20 DBED Cn1nnnc1CN1CCCN(C(=O)c2ccc(C#N)[nH]2)CC1 980991672 ONNJRUKWIAJGST-UHFFFAOYSA-N 314.353 -0.242 30 20 DBED C[C@H](C#N)C(=O)N1CCCCC[C@@H](NC(=O)Cn2ncnn2)C1 987128600 HHEOJKMQRKUWCA-VXGBXAGGSA-N 319.369 -0.280 30 20 DBED C[C@@H](C#N)C(=O)N1CCCCC[C@H](NC(=O)c2nnn(C)n2)C1 987138483 YEDDHEWKTZVXJI-QWRGUYRKSA-N 319.369 -0.129 30 20 DBED C=CCn1cc(C(=O)N2CC(NC(=O)C3CCOCC3)C2)nn1 990038748 FFPFVWDEXTULOD-UHFFFAOYSA-N 319.365 -0.169 30 20 DBED C=CCn1cc(C(=O)NC2CN(C(=O)[C@H](CC)OC)C2)nn1 991673081 JAOVVAWDIFWQMA-LBPRGKRZSA-N 307.354 -0.170 30 20 DBED C#CCN1CCC[C@@H](NC(=O)CN2CCN(C)C(=O)C2)[C@H]1C 993520530 MNFBENRSAOGAAV-ZIAGYGMSSA-N 306.410 -0.637 30 20 DBED C#CCCN1CCC([C@@H](C)NC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 997332327 HNKOPVQPWQEKLT-YPMHNXCESA-N 320.393 -0.176 30 20 DBED CN(C(=O)c1c[nH]c(C#N)c1)C1CC(NCc2nnn(C)n2)C1 998653586 FQRVHCOAMABYTH-UHFFFAOYSA-N 314.353 -0.197 30 20 DBED C=CCN[C@H]1CCCN(C(=O)c2cn(C)c(=O)n(C)c2=O)C1 1000367574 IOOCXQMUAUMEIZ-NSHDSACASA-N 306.366 -0.536 30 20 DBED O=C1C[C@H](C(=O)NCC2CN(C(=O)C#CC3CC3)C2)CCN1 1001407545 HWGYVVSRFXKJIH-CYBMUJFWSA-N 303.362 -0.499 30 20 DBED N#Cc1ccc(C(=O)NCC2CN(C(=O)[C@@H]3COC(=O)N3)C2)[nH]1 1001476947 CVXXSRGPGFSOSN-NSHDSACASA-N 317.305 -0.817 30 20 DBED C#CCN1CCC(CNC(=O)[C@@H]2Cc3cncn3C(=O)N2)CC1 1001674414 PKCDNLOZHSVHIQ-AWEZNQCLSA-N 315.377 -0.173 30 20 DBED C[C@@H](NC(=O)[C@@H]1CCNC(=O)C1)C1CN(C(=O)C#CC2CC2)C1 1005902496 WBKALEZDWDFCPM-DGCLKSJQSA-N 317.389 -0.111 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@H]1CN2C(=O)c1cnn(C)c1N 1007271276 FXALXYIKTOYYSK-GARJFASQSA-N 316.365 -0.023 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)C1 1015991419 CZNBZLFVFHAONT-SNVBAGLBSA-N 302.338 -0.202 30 20 DBED N#Cc1ccccc1CN[C@H]1CCN(C(=O)Cn2ncnn2)C1 1018851548 ROBWSIYKYVWZQX-AWEZNQCLSA-N 311.349 -0.065 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]2CN(C(=O)Cn3cncn3)C[C@H]21 1022567598 DLGHUHXIIUCUBM-SDDRHHMPSA-N 302.338 -0.503 30 20 DBED C#CCN1CCCC[C@@H]1CNC(=O)c1nccnc1C(N)=O 1024791413 ZFURQXHQRWMWHQ-LLVKDONJSA-N 301.350 -0.207 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN(Cc2ncnn2C)C1 1030461999 GTFVWNIEIFPLTE-ZDUSSCGKSA-N 302.382 -0.787 30 20 DBED N#CCN1CCO[C@@H](CNC(=O)c2ccn3nnnc3c2)C1 1035473470 PSDRTSUONNBMEF-NSHDSACASA-N 301.310 -0.922 30 20 DBED C=CCCN1CCO[C@@H](CNC(=O)c2ccc(=O)n(C)n2)C1 1035596500 CBDUHYHADONSQF-LBPRGKRZSA-N 306.366 -0.213 30 20 DBED CC#CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)Cc1ccc(C(N)=O)nc1 1037466282 ZWTJMXLQLHDXNH-INWMFGNUSA-N 312.373 -0.065 30 20 DBED CC(=O)NC(C)(C)C(=O)N1CC[C@@](O)(CNC(=O)[C@H](C)C#N)C1 1040764679 XOCXRTMXSZCAEC-MEBBXXQBSA-N 324.381 -0.860 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(O)(CNC(=O)COCC)C1 1041302674 AKARKMKXSOIFHL-CYBMUJFWSA-N 300.355 -0.961 30 20 DBED CN1C(=O)CN(CC(=O)N2CC[C@@]3(CCN(CC#N)C3)C2)C1=O 1041786883 WPJMXXZULQFFSA-OAHLLOKOSA-N 319.365 -0.672 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)[C@H]2CCCCO2)C1 1042567822 FNCDNJYUXLMORP-QWHCGFSZSA-N 324.377 -0.717 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(O)CN(C(=O)[C@@H](C)SC)C1 1042806502 HFIDGPPANOAVLN-ZWNOBZJWSA-N 316.423 -0.246 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(O)CN(C(=O)[C@@H]2CCCO2)C1 1042807501 UYWVAIUCISXZLN-SMDDNHRTSA-N 312.366 -0.818 30 20 DBED CO[C@H](C(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1)C1CC1 1042841600 SVSYAUQMLQXMFA-AWEZNQCLSA-N 306.362 -0.486 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)Cc2ccn(C)n2)C1 1042985491 MIWQUZCSTMDKAW-UHFFFAOYSA-N 306.366 -0.382 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)COCCC=C)C1 1043040509 TZTXFEPNPFZGQS-UHFFFAOYSA-N 324.377 -0.692 30 20 DBED C=CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)[C@H]2CCOC2)C1 1043568704 BJPJYABPSRCOIV-RYUDHWBXSA-N 312.366 -0.697 30 20 DBED Cc1ncc(C(=O)N[C@@H]2CN(c3cncc(C#N)n3)C[C@@H]2O)[nH]1 1043878265 WJMHOMZXBWFKSQ-NEPJUHHUSA-N 313.321 -0.641 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)c2cn(C)cn2)C1 1044456166 PZBPUJFINBCXHF-UHFFFAOYSA-N 306.366 -0.065 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]1CNCc1nnnn1C 1045207645 DKQZSGIGSGSTEJ-XQQFMLRXSA-N 320.397 -0.118 30 20 DBED C[C@@]1(NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)CCN(CC#N)C1 1046322757 WSDBSVAWQCWPJW-IAQYHMDHSA-N 316.365 -0.133 30 20 DBED Cc1cc(=O)c(C(=O)N(C)[C@H]2CN(CC#N)C[C@@H]2O)cn1C 1047418284 LBYNXTXPSZKWCG-JSGCOSHPSA-N 304.350 -0.666 30 20 DBED C=CCCC(=O)N(C)[C@H]1CN(C(=O)CCn2cnnn2)C[C@@H]1O 1048527656 LTZHTAZQXXGETR-RYUDHWBXSA-N 322.369 -0.941 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)[C@@H]1CCC(=O)N1C(C)C 1051088125 YYRSAIJMVFXCNB-KBPBESRZSA-N 307.394 -0.164 30 20 DBED N#CCN1CCOC[C@@H]1CNC(=O)[C@H]1CCc2nc[nH]c2C1 1051199677 HMGFIXQJDFWAOB-RYUDHWBXSA-N 303.366 -0.145 30 20 DBED CC#CCN1CCOC[C@H]1CNC(=O)[C@@H]1CCCCN1C(N)=O 1051200682 BMDQUMZNHIPQGP-KGLIPLIRSA-N 322.409 -0.240 30 20 DBED CCc1nnc(CNC[C@@H]2CN(C(=O)[C@H](C)C#N)CCO2)n1C 1051493908 BTFAVLUWUABFJQ-VXGBXAGGSA-N 320.397 -0.146 30 20 DBED C=C(C)CN1CCN([C@@H]2CCN(C(=O)[C@@H]3COC(=O)N3)C2)CC1 1052018023 AFDHQUDAJCWVOU-KGLIPLIRSA-N 322.409 -0.111 30 20 DBED N#CCN1CC2(C1)CN(C(=O)c1ccnc3ccnn13)CCO2 1053285351 SJOWEMYZPBCWQR-UHFFFAOYSA-N 312.333 -0.220 30 20 DBED C=C(Cl)CN1CC2(C[C@@H](NC(=O)[C@H]3CCNC3=O)CO2)C1 1053889766 QXWOAAMWDAWELR-MNOVXSKESA-N 313.785 -0.166 30 20 DBED COCC(=O)N[C@]1(CO)CCCN(C(=O)c2c[nH]c(C#N)c2)C1 1055704963 DFNXLNSLHNLHDN-OAHLLOKOSA-N 320.349 -0.384 30 20 DBED C[C@@H](C#N)C(=O)N[C@]1(CO)CCCN(C(=O)c2nc[nH]n2)C1 1056097981 YAPZPFDCEVGFOW-TVQRCGJNSA-N 306.326 -0.952 30 20 DBED Cn1ccc(CC(=O)NC2[C@H]3CN(c4nccnc4C#N)C[C@H]23)n1 1056205040 XTZZIENYWFWEMA-RYUDHWBXSA-N 323.360 -0.125 30 20 DBED N#Cc1cnccc1N1C[C@H]2[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)[C@H]2C1 1056406964 IMEFXKNJCYPGEC-MOWSAHLDSA-N 311.345 -0.375 30 20 DBED C[C@@]1(C(=O)N2CC[C@@H](N=c3cc[nH]c(C#N)n3)C2)CNC(=O)C1 1056738856 VDROZHXDIRVODK-BMIGLBTASA-N 314.349 -0.691 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](N(C)c2nccn3nnnc23)C1 1056871466 LEYSIAKYQMFSLZ-VHSXEESVSA-N 300.326 -0.284 30 20 DBED CN(c1cnc(C#N)cn1)[C@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1 1056947573 GIRHAFCNNVQBIG-RYUDHWBXSA-N 314.349 -0.336 30 20 DBED C=C[C@@](C)(O)CC(=O)N(CCO)CCNC(=O)[C@@H](C)COC 1057449509 DGSLFKOBZCEVBQ-SWLSCSKDSA-N 316.398 -0.467 30 20 DBED CN1CC[C@H](C(=O)N[C@@H]2CCN(c3cnc(C#N)cn3)C2)C1=O 1058515063 UGQQDMYDDPXNDX-ZYHUDNBSSA-N 314.349 -0.479 30 20 DBED Cc1cc(C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N)n(C)n1 1058653406 UYUJEFKJEWNYIG-JTQLQIEISA-N 307.354 -0.561 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)c1n[nH]cc1F 1058750164 BVWAQLWZGPEFTN-UHFFFAOYSA-N 314.317 -0.698 30 20 DBED N#Cc1cncc(N[C@H]2CCN(C(=O)[C@@H]3CCNC3=O)C2)n1 1059019898 LTFWSJSVJRSTJX-GXSJLCMTSA-N 300.322 -0.503 30 20 DBED C#CCO[C@@H](C)C(=O)NCC[C@H]1CCN(C(=O)CNC(C)=O)C1 1059053159 YGDILFZMSRBOEY-JSGCOSHPSA-N 323.393 -0.484 30 20 DBED CN1CCO[C@H](C(=O)N[C@H]2C[C@H](Nc3cnc(C#N)cn3)C2)C1 1059170745 PKJSCQXRSXBFJA-GVXVVHGQSA-N 316.365 -0.262 30 20 DBED C#CCO[C@H](C)C(=O)N1CCOC[C@H]1CNC(=O)c1cocn1 1061414921 KGXUUNXKUWXCIP-VXGBXAGGSA-N 321.333 -0.330 30 20 DBED Cc1cc(CC(=O)N2CCOC[C@H]2CNC(=O)[C@H](C)C#N)n[nH]1 1061845607 JWEPEBBEQVDFQB-ZWNOBZJWSA-N 319.365 -0.236 30 20 DBED C=C[C@](C)(O)CC(=O)NC1(CNC(=O)CNC(N)=O)CCC1 1062490205 SOPURCGHUMLGPR-ZDUSSCGKSA-N 312.370 -0.863 30 20 DBED CC(=O)NCC(=O)NC1(CNC(=O)c2cc(C#N)c[nH]2)CCC1 1062767518 BTSLECHTKFBMOJ-UHFFFAOYSA-N 317.349 -0.209 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCC1(NC(=O)COC)CCC1 1063478829 QSFJGSJMSHSMMV-ZDUSSCGKSA-N 307.394 -0.115 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(C(=O)c2ncc[nH]2)CCO1 1065119887 HPKSDSMRZKHNPY-GFCCVEGCSA-N 302.334 -0.220 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CN(C(=O)c2ccn(C)n2)CCO1 1065172342 XPIJHBSGIGDRKA-QWRGUYRKSA-N 305.338 -0.463 30 20 DBED C#CCOCCC(=O)NC[C@H]1CN(C(=O)c2cnon2)CCO1 1065511318 ZPWBDRGZISLXJJ-NSHDSACASA-N 322.321 -0.933 30 20 DBED Cc1cc(C#N)nc(N2C[C@H](O)[C@H](CNC(=O)C3CC3)C2)n1 1067642911 MVXVGCJNSHTVHO-YPMHNXCESA-N 301.350 -0.020 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCCN(C)C(=O)C1CC(=O)NC(=O)C1 1067788138 CMKVRGCQYHDTCU-JTQLQIEISA-N 322.365 -0.494 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCCN(C)C(=O)[C@@]1(C)CCNC1=O 1068060441 NVIRSPOLZRSXHZ-NHYWBVRUSA-N 308.382 -0.021 30 20 DBED C=CCCC(=O)N1CCOC2(C1)CN(C(=O)[C@@H](C)CC(N)=O)C2 1068344700 QNRXWQRSQQPOKC-LBPRGKRZSA-N 323.393 -0.096 30 20 DBED N#Cc1nccnc1NC[C@H]1C[C@H](NC(=O)[C@@H]2CCNC2=O)C1 1068562028 WHZRKJHSVKTTMP-GMTAPVOTSA-N 314.349 -0.209 30 20 DBED C#CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2c[nH]nc2C)C1 1069993947 WUYDELKSMYAQKI-KGLIPLIRSA-N 313.365 -0.012 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@@H](NC(=O)CCCOC)C1 1070635961 CRFRLNADSZIHBR-CYBMUJFWSA-N 323.393 -0.340 30 20 DBED C=CCN[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)C[C@H]1c1cncn1C 1070712021 XEQHYYZIHYYUQP-FRRDWIJNSA-N 317.393 -0.231 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)[C@H]2C[C@H]3CC[C@H]2O3)CC1 1070948455 MXEXQFGQKWXQPB-QLFBSQMISA-N 319.405 -0.162 30 20 DBED CNC(=O)C1(C(=O)N2CCC[C@@H](NC(=O)[C@H](C)C#N)C2)CC1 1070972181 JGGNUMZBGNJZOK-GHMZBOCLSA-N 306.366 -0.221 30 20 DBED C#CCN1CC[C@@]2(C1)CN(C(=O)CS(C)(=O)=O)C[C@@H](C)O2 1071144972 XVPCNWXHGZXNLX-TZMCWYRMSA-N 314.407 -0.644 30 20 DBED C[C@@H]1CC[C@@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)CN1CC#N 1072043763 DQWVYYBPFAGLPI-GHMZBOCLSA-N 321.381 -0.191 30 20 DBED C#CCCN1C[C@H](NC(=O)CN2C(=O)CN(C)C2=O)CC[C@H]1C 1072054839 KTMIKURJRCJBIL-CHWSQXEVSA-N 320.393 -0.127 30 20 DBED C#CCN1CCC(C(=O)N2CC3(CCN(CCO)C3)C2)CC1 1073457232 HGZOFXAEGIEVDB-UHFFFAOYSA-N 305.422 -0.142 30 20 DBED C[C@H](C#N)C(=O)N1CCC(O)(CNC(=O)c2ccnnc2)CC1 1074706893 RFOQOMFHNNZMBP-LLVKDONJSA-N 317.349 -0.280 30 20 DBED C#CCOCCC(=O)NCC[C@H](C)NC(=O)c1cc[n+]([O-])cc1 1076504350 WYJGUEQSIRVSPB-ZDUSSCGKSA-N 319.361 -0.016 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3nncn3CC2)C1 1077410990 MBZIHYUQERJSBU-YNEHKIRRSA-N 305.382 -0.422 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3nc(C)nn3C2)C1 1077430334 IIVMOJNERPCOPL-MGPQQGTHSA-N 319.409 -0.114 30 20 DBED C[C@@H](CCNC(=O)[C@H](C)C#N)NC(=O)c1c[nH]c(C(N)=O)c1 1078133330 HDLXJFIAQVBKHL-BDAKNGLRSA-N 305.338 -0.102 30 20 DBED C[C@@H](CCNC(=O)COCc1nncn1C)NC(=O)[C@H](C)C#N 1078159852 XHCLJNYOLLOHOX-MNOVXSKESA-N 322.369 -0.498 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCC(CO)(NC(=O)CC)CC1 1080645604 PBGIPCVTMUYYRT-AWEZNQCLSA-N 321.421 -0.036 30 20 DBED C=CCOCC(=O)NC1(CO)CCN(C(=O)[C@@H](C)C#N)CC1 1080773426 OEBPFURPVFIDAW-LBPRGKRZSA-N 309.366 -0.182 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)c2cnn(C)c2)C[C@@H]1O 1081461397 UCFKCMJPMMCWCW-OCCSQVGLSA-N 318.377 -0.371 30 20 DBED C=C(C)CCC(=O)NC[C@H]1CN(C(=O)c2cnn[nH]2)C[C@@H]1O 1081533910 QAIZAEXWIIQUDQ-JQWIXIFHSA-N 307.354 -0.290 30 20 DBED C=CCOCC(=O)NC[C@@H]1CCCCN1C(=O)c1nnn(C)n1 1082225546 USLFTBMTWNOGBC-NSHDSACASA-N 322.369 -0.476 30 20 DBED C#CCCN1C[C@@H](NC(=O)c2c[nH]c(C(N)=O)c2)[C@H](OC)C1 1082372009 NXRFMLMZBPDANL-CHWSQXEVSA-N 304.350 -0.434 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(Cc2ccon2)C[C@@H]1O 1083789970 HYTRGMOTEZKDKO-MQYQWHSLSA-N 307.350 -0.073 30 20 DBED C=CCN1CC[C@@H](N2CC[C@@H]3CN(C(=O)COC)[C@@H]3C2)C1=O 1084135866 JJNVPLOPCQVLRU-MGPQQGTHSA-N 307.394 -0.048 30 20 DBED C[C@@H]1[C@@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)CCN1CC#N 1088959030 HZPWMYPBZJSYJC-ZJUUUORDSA-N 307.354 -0.581 30 20 DBED C=C(Cl)CN1CC[C@H](NC(=O)C2CS(=O)(=O)C2)[C@H](O)C1 1090293047 QZYVMKIXXVLNMF-WDEREUQCSA-N 322.814 -0.665 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2ccc3nn[nH]c3n2)[C@H](O)C1 1090314166 WXYBOBNLDRJJLX-ZWNOBZJWSA-N 314.349 -0.459 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2cccc3ncnn23)[C@H](O)C1 1090398678 GYPPCQGVFNLMOM-ZYHUDNBSSA-N 300.322 -0.582 30 20 DBED N#Cc1cncc(N2C[C@@H](O)[C@H](NC(=O)CC3(O)CCC3)C2)n1 1090410675 GLGGTIGNGLPMHK-VXGBXAGGSA-N 317.349 -0.681 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cnc3c(c2)ncn3C)[C@@H](O)C1 1090474633 DVAYIBKGXISUGP-JSGCOSHPSA-N 313.361 -0.234 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2ccc(C(N)=O)s2)[C@@H](O)C1 1090644066 IMIOOIGSLPNLPU-BDAKNGLRSA-N 308.363 -0.464 30 20 DBED COCCC(=O)N[C@@H]1CN(c2ncc(C#N)cc2F)C[C@@H]1O 1091062463 SLTOYBXKKDITCI-NEPJUHHUSA-N 308.313 -0.205 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1091093085 PYIHWYRSDFGIAA-ZETOZRRWSA-N 317.349 -0.659 30 20 DBED CC(C)(C)OCC(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1091094257 KJEIREWRRFUEHU-NEPJUHHUSA-N 319.365 -0.171 30 20 DBED CCC(=O)NCC(=O)NCC1CC(N=c2cc[nH]c(C#N)n2)C1 1092194837 UIGIHOYLIJMOSY-UHFFFAOYSA-N 316.365 -0.397 30 20 DBED C[C@]1(CNC(=O)C(N)=O)CN(c2ccc(C#N)nc2)CCO1 1092775120 OUCKQLCZCQFAMM-AWEZNQCLSA-N 303.322 -0.850 30 20 DBED N#Cc1cnc(N2C[C@@H]3C(NC(=O)CCn4cncn4)[C@H]3C2)cn1 1093212589 JFULZKJOQVWHMK-RYUDHWBXSA-N 324.348 -0.419 30 20 DBED CC#CCN1CC(N2C[C@@H](NC(=O)[C@@]34COC[C@@H]3C4)CC2=O)C1 1094736450 ISANJIHMNZCGLQ-DCGLDWPTSA-N 317.389 -0.553 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)c3cc(F)c[nH]3)CC2=O)C1 1094761968 VIZBGZLPWRYVIF-LLVKDONJSA-N 304.325 -0.198 30 20 DBED C[C@H](NC(N)=O)C(=O)N1CC[C@@H](N=c2cc[nH]cc2C#N)C1 1095028193 AOZORKISBCSHQB-GXSJLCMTSA-N 302.338 -0.555 30 20 DBED CN(C)C(=O)CC(=O)N1CC[C@@H](N=c2cc[nH]c(C#N)n2)C1 1095084626 XRXXMHZWFZIZDE-SNVBAGLBSA-N 302.338 -0.739 30 20 DBED CC(=O)NCC(=O)NC1CCN(c2ccc(C#N)nn2)CC1 1095387472 FNVCZKIKYSZKFP-UHFFFAOYSA-N 302.338 -0.431 30 20 DBED N#Cc1cnc(N2CC[C@H](NC(=O)CCCC(N)=O)C2)cn1 1096391304 GXMHAWHTQJOGRC-JTQLQIEISA-N 302.338 -0.301 30 20 DBED CCc1nc(C#N)cc(N[C@H](CNC(=O)C(N)=O)C2CC2)n1 1096794762 DEXDPDGALMLZRD-SNVBAGLBSA-N 302.338 -0.297 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1C[C@@H](Nc2nccc(C)n2)C1 1097176802 WSEYNVYJCJROOK-TXEJJXNPSA-N 301.350 -0.016 30 20 DBED C[C@H](CNC(=O)CNC(=O)C1CC1)N=c1cc[nH]c(C#N)n1 1097687294 VWFCTWMMPAZVAT-SECBINFHSA-N 302.338 -0.787 30 20 DBED C[C@@H](CNC(=O)[C@@H]1COCCN1C)N=c1cc[nH]cc1C#N 1097765467 SWOYKGQNESZGEH-FZMZJTMJSA-N 303.366 -0.378 30 20 DBED C[C@H](CNC(=O)Cn1cnnc1O)Nc1ccc(C#N)nn1 1097787827 PAKWCJFEXDBWLC-MRVPVSSYSA-N 302.298 -0.738 30 20 DBED CC(=O)NCC(C)(C)C(=O)NC[C@H](C)N=c1cc[nH]c(C#N)n1 1097941805 IMXMXWFGNMGGRP-JTQLQIEISA-N 318.381 -0.151 30 20 DBED C#CCCNCc1cn([C@@H]2CCN(C(=O)c3cnn[nH]3)C2)nn1 1098688757 XUGLKVQGJMNFGS-GFCCVEGCSA-N 314.353 -0.404 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC[C@@H](n2cc(CNCCO)nn2)C1 1098789371 BVQUIIUUBJVEQM-GXTWGEPZSA-N 323.397 -0.276 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(Cc2ncnn2C)C[C@@H]1O 1099741424 SWWHZJHWPPVVSK-RYUDHWBXSA-N 309.370 -0.931 30 20 DBED COCC#CCN1CC[C@H](NC(=O)Cc2cnc[nH]2)[C@H](O)C1 1100018009 OCUWPIGSBKDLLS-UONOGXRCSA-N 306.366 -0.847 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)CS(=O)(=O)N(C)C)[C@@H](O)C1 1100092169 KLRYLFPNXRSVCX-RYUDHWBXSA-N 319.427 -0.995 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CC(CNC(=O)COCC=C)C1 1100187791 MPRYSEFQUBAORD-IYXRBSQSSA-N 307.394 -0.189 30 20 DBED COCC#CCNC1CC(CNC(=O)[C@@H]2CCC(=O)NC2)C1 1100470933 HZFBFBHKMDPSKX-ROKHWSDSSA-N 307.394 -0.353 30 20 DBED CN(CCNc1cnc(C#N)cn1)C(=O)CN1CCCNC1=O 1102036602 UHQCXPWAHYXEBV-UHFFFAOYSA-N 317.353 -0.366 30 20 DBED COC(=O)NCC(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1C#N 1102537397 JJIUILSSNGWHGQ-UWVGGRQHSA-N 316.321 -0.506 30 20 DBED C#CCNCC[C@@H]1CN(C(=O)C[C@H](NC(C)=O)C(N)=O)C[C@H]1C 1104757627 ZPDRRXSZEZWQGI-BNOWGMLFSA-N 322.409 -0.926 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H](O)CNC(=O)COCC1CC1 1105717996 GNCSJUYSBKAKMO-ZDUSSCGKSA-N 304.350 -0.309 30 20 DBED Cc1cc(NC[C@H](O)CNC(=O)[C@H](C)C#N)n2ncnc2n1 1105773773 NCAHVDIGJQFSJU-SCZZXKLOSA-N 303.326 -0.519 30 20 DBED N#Cc1nccnc1NC[C@@H](O)CNC(=O)C1CCC(O)CC1 1105804201 LIEAPNZAQWVQAU-HTAVTVPLSA-N 319.365 -0.212 30 20 DBED Cn1nccc1CC(=O)NC[C@H](O)CNc1ccc(C#N)cn1 1105806208 SDBFBZMDUPRKMV-CYBMUJFWSA-N 314.349 -0.182 30 20 DBED C[C@](O)(CC(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1)C1CC1 1105826552 HJHSZJZPKHGFTP-NHYWBVRUSA-N 319.365 -0.790 30 20 DBED C#CCCCCC(=O)NC[C@@H](O)CNc1nccn2nnnc12 1105830392 BNXHASPARPXRRM-LLVKDONJSA-N 317.353 -0.398 30 20 DBED CCC[C@H](OC)C(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1 1106040615 ZPDUPKZRSHFSMQ-MNOVXSKESA-N 307.354 -0.526 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)Cc2n[nH]c(C)n2)C[C@H]1C 1106107918 MWXSTKVHNOTRFR-TZMCWYRMSA-N 319.409 -0.010 30 20 DBED C[C@H](CCNc1nccnc1C#N)NC(=O)Cn1nccn1 1106460734 UYRVWVGYONAIKH-SNVBAGLBSA-N 300.326 -0.053 30 20 DBED C=CCCNC[C@@H]1CN(C(=O)Cn2c(O)nnc2O)C[C@H]1C 1106925804 ZEFFGPVVXYGAMG-GHMZBOCLSA-N 309.370 -0.051 30 20 DBED N#Cc1cnc(NC/C=C\CNC(=O)[C@H]2CCNC(=O)C2)cn1 1107122217 OWUGZHPULLWFMX-BVBSBALXSA-N 314.349 -0.041 30 20 DBED N#Cc1nccnc1NC/C=C\CNC(=O)[C@@H]1CCCNC1=O 1107389536 MVZLDFAIWIPVOY-BVBSBALXSA-N 314.349 -0.041 30 20 DBED CS(=O)(=O)CCC(=O)NC/C=C/CNc1cncc(C#N)n1 1107575448 CHZJMXYLBIHATQ-NSCUHMNNSA-N 323.378 -0.133 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@]1(C)CN(CCNC(=O)C2CC2)CCO1 1107820964 GXCNFDCFRFAEFP-LRDDRELGSA-N 322.409 -0.121 30 20 DBED C[C@H](CNc1ccc(C#N)nc1)NC(=O)C[C@@H]1CC(=O)NC1=O 1107826157 UNJUFIQODVAVQA-NXEZZACHSA-N 315.333 -0.077 30 20 DBED C#CCCCC(=O)NC[C@@]1(C)CN(CC(=O)NCC#N)CCO1 1107901536 RUBKXYHJKZCVGW-INIZCTEOSA-N 320.393 -0.363 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)CCCC(C)=O)CC2=O)C1 1108506840 AXGWUTHREFHXEE-ZDUSSCGKSA-N 305.378 -0.220 30 20 DBED COC[C@@H](C)N1CC(N2C[C@@H](NC(=O)C#CC3CC3)CC2=O)C1 1108544873 LBKMWPGRMJRLIS-OCCSQVGLSA-N 319.405 -0.164 30 20 DBED N#CCNC(=O)CN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccon1)C2 1108631715 NJAPGFCDVCHOAD-SRVKXCTJSA-N 317.349 -0.103 30 20 DBED CNC(=O)NCC(=O)N1C[C@H]2C[C@@H](NCC#CCOC)C[C@H]1C2 1108699098 ORLGGOVNXVPDKW-BFHYXJOUSA-N 322.409 -0.466 30 20 DBED C[C@@H](CN(C)c1nccnc1C#N)NC(=O)CCn1cncn1 1108825960 PRHGEGZWKHYZFN-NSHDSACASA-N 314.353 -0.029 30 20 DBED C[C@@H](CN(C)c1cnc(C#N)cn1)NC(=O)CNC(=O)C1CC1 1108833231 DBQPCSLESFVQOZ-JTQLQIEISA-N 316.365 -0.185 30 20 DBED C[C@@H](CN(C)c1nccnc1C#N)NC(=O)CCn1ccnn1 1108917737 NBVMAORBGSBLNL-NSHDSACASA-N 314.353 -0.029 30 20 DBED C[C@@H](CN(C)c1ccc(C#N)nn1)NC(=O)[C@H]1CC(=O)N(C)C1 1109295625 LMLOBBOIVIZFMD-QWRGUYRKSA-N 316.365 -0.233 30 20 DBED Cc1cc(C#N)nc(NC2(CNC(=O)CS(C)(=O)=O)CC2)n1 1110073675 IKNVGNFEQFJVAW-UHFFFAOYSA-N 323.378 -0.238 30 20 DBED CN1C[C@@H](C(=O)NCC2(Nc3ccc(C#N)nn3)CC2)NC1=O 1110301896 ROLNYSBUSHMHGB-JTQLQIEISA-N 315.337 -0.567 30 20 DBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1ncc[nH]1 1110531215 SELCNLPBNPCKOT-MXWKQRLJSA-N 302.338 -0.615 30 20 DBED COc1cc(C)nc(N2C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)C#N)C2)n1 1111176857 RGMNERUTXBZWRH-USWWRNFRSA-N 319.365 -0.039 30 20 DBED CCOCC(=O)N[C@]1(CO)CCCN(c2nccnc2C#N)C1 1111327093 XFCGJWBEJAUCOX-OAHLLOKOSA-N 319.365 -0.168 30 20 DBED CNC(=O)CC(=O)N1CCO[C@@H](CNc2ccc(C#N)cn2)C1 1111940915 YAGFLIXZQHYBKU-LBPRGKRZSA-N 317.349 -0.271 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)CCCC(=O)NC)CC1 1112780494 DZANFUYVDADZAN-CYBMUJFWSA-N 322.409 -0.815 30 20 DBED CC(=O)N(C)CC(=O)NC1CC(CN=c2cc[nH]c(C#N)n2)C1 1112832513 BFYAZQQIPKAGEP-UHFFFAOYSA-N 316.365 -0.445 30 20 DBED C#CCO[C@H](C)C(=O)N1CCN(CC(=O)N(C)C2CC2)CC1 1112841832 OMALAOJCCYHBON-CYBMUJFWSA-N 307.394 -0.210 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CCC[C@H]2OC)CC1 1113037594 NCLVGHLGCGWWKB-ZIAGYGMSSA-N 307.394 -0.305 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H](C)N(C)c1ccc(C#N)nn1 1113567039 HUDQBXFEACOPPT-LLVKDONJSA-N 314.349 -0.571 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)[C@@H](C)CCOC)CC1 1113653057 RIQIFLBEVISCDY-UONOGXRCSA-N 309.410 -0.059 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)C#CC(C)(C)C)[C@H]2C1 1114255137 CTFZBWURAVJUNH-VIKVFOODSA-N 301.390 -0.168 30 20 DBED N#Cc1ccc(N2C[C@@H]3C(CNC(=O)CC(N)=O)[C@H]3C2)nn1 1114547344 UDUQEVUJHWHCDG-GHMZBOCLSA-N 300.322 -0.978 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)c3conc3C)[C@H]2C1 1114765776 LFUYPKCBACABMQ-SRVKXCTJSA-N 316.361 -0.219 30 20 DBED N#Cc1ncn(CCNC(=O)NCCOC[C@H]2CCOC2)n1 1117297095 DTDSKAFZUJAIRU-NSHDSACASA-N 308.342 -0.498 30 20 DBED Cc1nccn1CCNC(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1118212371 PVBSICXWQJVCIP-AWEZNQCLSA-N 305.338 -0.815 30 20 DBED CN(C)CC#CCNCCS(=O)(=O)c1ccc(C#N)cn1 1120584107 XJUKECFPEHRQSL-UHFFFAOYSA-N 306.391 -0.118 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@H](CO)Nc1ccc(C#N)nn1 1121405133 LEVIHJYNBDUMMD-SMDDNHRTSA-N 305.338 -0.436 30 20 DBED C=CCn1c(C[C@H](C)O)nnc1N(C)CCS(C)(=O)=O 1121527173 NJIREPRRQSXJDO-JTQLQIEISA-N 302.400 -0.132 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)c2ccc(O)nc2)nn1 1121550645 WLSFQQDYDFMMLS-LLVKDONJSA-N 314.305 -0.348 30 20 DBED Cc1cc(=N[C@@H](CO)CNC(=O)CN2CCCC2)c(C#N)c[nH]1 1121583199 YSSREACPSRONHH-CQSZACIVSA-N 317.393 -0.332 30 20 DBED Cc1cc(C#N)nc(N[C@H](CO)CNC(=O)CCCC(N)=O)n1 1121712484 ZPWTYHIHEJCJDJ-NSHDSACASA-N 320.353 -0.799 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N[C@H](C)c1nnnn1C 1121821500 BOTYEDZAQYUIPW-MRVPVSSYSA-N 302.360 -0.829 30 20 DBED COCC1(C(=O)NC[C@@H](CO)Nc2nccnc2C#N)CC1 1122246187 MLRPTLDGTLRPGI-JTQLQIEISA-N 305.338 -0.336 30 20 DBED CN1C(=O)CC[C@H]1C(=O)NC[C@@H](CO)Nc1ccc(C#N)nc1 1122334025 PYPXZXWFJIKUHX-STQMWFEESA-N 317.349 -0.537 30 20 DBED Cc1nc(N[C@@H](CO)CNC(=O)CC(=O)N(C)C)ccc1C#N 1122634469 ABGPUCZVBARYIS-GFCCVEGCSA-N 319.365 -0.371 30 20 DBED C[C@@H]1[C@H](NC(=O)CC(N)=O)CCCN1c1ccc(C#N)nn1 1123521376 FHFXFNIIRWCCQX-MWLCHTKSSA-N 302.338 -0.303 30 20 DBED CN(C[C@@H](O)CNc1cncc(C#N)n1)C(=O)Cn1cccn1 1124116462 IKNVEKPIOIGFBG-LBPRGKRZSA-N 315.337 -0.524 30 20 DBED CN(C[C@@H](O)CNc1cncc(C#N)n1)C(=O)c1ncccn1 1124456827 ZYAAXQPBCIRFMQ-NSHDSACASA-N 313.321 -0.317 30 20 DBED COCC1(C(=O)N(C)C[C@@H](O)CN=c2cc[nH]c(C#N)n2)CC1 1124592149 MFFQTZZEUWTLIB-NSHDSACASA-N 319.365 -0.572 30 20 DBED N#Cc1c[nH]c(C(=O)NCCNCC(=O)NC2CCOCC2)c1 1125391000 NCHFKKPACPWYIF-UHFFFAOYSA-N 319.365 -0.499 30 20 DBED C#CCCN[C@H]1CCN(c2cccc(CNC(=O)C(N)=O)n2)C1 1127845417 HODOYHAIJIRCAC-ZDUSSCGKSA-N 315.377 -0.625 30 20 DBED CC(C)C#CC(=O)NCc1cnn2c1CN([C@@H](C)C(N)=O)CC2 1128346710 DWOBUYMQEDJUTQ-LBPRGKRZSA-N 317.393 -0.152 30 20 DBED C=CCOCCNCCNC(=O)[C@@]12C[C@H]3C[C@@H](C(=O)N1)[C@H]2C3 1130584773 MDUCLVRNKFVSFQ-VLXAULBPSA-N 307.394 -0.191 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1nc(C)n2ccccc12 1131301496 CESOCLFQZXLDTD-UHFFFAOYSA-N 313.361 -0.288 30 20 DBED C#CCN1CC[C@]2(C1)CN(C(=O)CN(C)C(C)=O)C[C@@H](C)O2 1131639940 XCSQMZARVRVBLR-CJNGLKHVSA-N 307.394 -0.210 30 20 DBED C=C(C)CN(CC)C(=O)CNCCNC(=O)[C@]1(C)CNC(=O)C1 1131684487 HRTCARSYUGIAQK-INIZCTEOSA-N 324.425 -0.357 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)C[C@H](C)c1cnn(C)c1 1131741518 IGHPTFNLSIQCEZ-STQMWFEESA-N 319.409 -0.243 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@H](C)Oc1cccnc1 1133625141 AEFJQDRTEQMPSV-OLZOCXBDSA-N 318.377 -0.307 30 20 DBED C=CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)Cn1cnnc1O 1134134111 CHMLUCNODQDMQI-MNOVXSKESA-N 324.385 -0.841 30 20 DBED C[C@@H](C[C@H](C)NC(=O)c1cncnc1O)NCC(=O)NCC#N 1134727143 ZMKRNYTWGKMYKI-UWVGGRQHSA-N 320.353 -0.692 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)C(=O)N1CCC(C)CC1 1134875566 VXKGEWYBFLNOEX-ZDUSSCGKSA-N 322.409 -0.911 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)CC(=O)N(C)C 1134936183 HSNMPSWVQSMEGU-UHFFFAOYSA-N 310.398 -0.629 30 20 DBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCNCC(=O)NC(N)=O 1135058124 GJAIFQSRDRLKIO-JQWIXIFHSA-N 312.370 -0.742 30 20 DBED C=CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)c1cnc(O)n1C 1135188401 KNCDZCLUCLDJAZ-MNOVXSKESA-N 323.397 -0.086 30 20 DBED N#Cc1cc(CNCCNC(=O)CCn2cnnn2)ccc1F 1135677529 NGNUQJHGEBWWPJ-UHFFFAOYSA-N 317.328 -0.020 30 20 DBED N#Cc1ccc(F)c(CNCCNC(=O)CCn2cnnn2)c1 1135677770 YPDNXLZCJGSFGG-UHFFFAOYSA-N 317.328 -0.020 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)Cc1ncc[nH]1)NCC(=O)NCC#N 1135775439 ZNIUHDLCIZYMMH-WDEREUQCSA-N 306.370 -0.535 30 20 DBED C#CCOc1ncccc1C(=O)NCCNCCOCCO 1148302826 ZDDHXFAOWHDFOO-UHFFFAOYSA-N 307.350 -0.578 30 20 DBED N#CCNC(=O)CN1CCCO[C@@H](CNC(=O)CC2CC2)C1 1148984944 FKLPAJIMWKHOFG-ZDUSSCGKSA-N 308.382 -0.367 30 20 DBED C=C(Cl)CN1CCCO[C@H](CNC(=O)Cn2cnnn2)C1 1149135888 AFLFPFJGGQTMCH-LLVKDONJSA-N 314.777 -0.367 30 20 DBED C=CCOCCN1CCCO[C@H](CNC(=O)Cn2cnnn2)C1 1149145127 XIVSIMQMDBUCCZ-CYBMUJFWSA-N 324.385 -0.917 30 20 DBED C/C=C(/C)C(=O)NC[C@H]1CN(CC(=O)NCC#N)CCCO1 1149482147 QWHOYDXMKBHYCU-RPHDBTCBSA-N 308.382 -0.201 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1ccc2c(c1)N(C)CC2 1149564831 LJCMUHVGJSHTNJ-UHFFFAOYSA-N 314.389 -0.252 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1cccc(NC(N)=O)c1 1150556316 BUZIEINFEVUVDQ-UHFFFAOYSA-N 319.365 -0.201 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)CS(=O)(=O)CC)C1 1150769425 BVIJQBJVXHJNPX-LBPRGKRZSA-N 302.396 -0.739 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)CSCC#N 1151954432 WGBIEKYDEZDLBP-GFCCVEGCSA-N 310.423 -0.181 30 20 DBED Cc1nn(C)c(C)c1[C@@H](C)C(=O)NCCNCC(=O)NCC#N 1153655304 MVCRAWQYHRQKRL-SNVBAGLBSA-N 320.397 -0.514 30 20 DBED CCN(CC#CCOC)[C@H](C)CNC(=O)[C@@]1(C)CCNC1=O 1155211583 UXWWIVWEQXSXID-CJNGLKHVSA-N 309.410 -0.011 30 20 DBED CC#CCN(CC)[C@H](C)CNC(=O)[C@H]1CCN(C)S1(=O)=O 1155764743 ZCMSXSQLLJNTAQ-CHWSQXEVSA-N 315.439 -0.130 30 20 DBED C#CCNC(=O)CC(=O)NCCCN[C@H](C)C(=O)N[C@H](C)CC 1156857240 JJNFXSUASMZTTF-CHWSQXEVSA-N 324.425 -0.475 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)c1[nH]c(O)nc1C 1160521937 QZTOLHSYRNSTAC-SNVBAGLBSA-N 307.354 -0.729 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1cc(C(F)F)[nH]n1 1166403397 XNXXYSTXAZXBBK-UHFFFAOYSA-N 313.308 -0.194 30 20 DBED COCC#CCNCCCNC(=O)C(=O)N1CCC[C@@H](C)C1 1167736581 IEZMHQHQMMAVPZ-CQSZACIVSA-N 309.410 -0.009 30 20 DBED C=CCn1cc(C(=O)NCCCN[C@@H](C)C(=O)NC2CC2)nn1 1167847781 MQJMNMXRJNNLDV-NSHDSACASA-N 320.397 -0.159 30 20 DBED C#CCCNCC1(CCNC(=O)C[C@H]2CC(=O)NC2=O)CC1 1168581638 XYAIIFMTJFVDQG-LBPRGKRZSA-N 305.378 -0.061 30 20 DBED C#CCN1CCC(C(=O)NCCCNCc2ncnn2C)CC1 1176926691 UCLMQIQLONBORH-UHFFFAOYSA-N 318.425 -0.244 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)CNC(=O)CCC)C1 1181394712 CWVSLDUWIZBITA-CHWSQXEVSA-N 322.409 -0.769 30 20 DBED Cc1cncn1CC(=O)N1CC[C@@H](NCC(=O)NCC#N)C1 1184309965 OQETXMIEVXTBOT-GFCCVEGCSA-N 304.354 -0.978 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2csc(O)n2)C1 1185028635 KCJVADNISIUCBO-SECBINFHSA-N 308.363 -0.598 30 20 DBED CN1CCC(C(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)CC1 1185400817 KEPKPQSGBMAHNG-CYBMUJFWSA-N 307.398 -0.842 30 20 DBED N#CCNC(=O)CN[C@@H]1CCN(C(=O)COc2ccsc2)C1 1187100404 ZTVUTSPBRNUWKI-LLVKDONJSA-N 322.390 -0.043 30 20 DBED COCCCNC(=O)CN1C[C@@H]2CCN(C(=O)[C@H](C)C#N)[C@@H]2C1 1187312273 UFCDNLPIZJQETO-HZSPNIEDSA-N 322.409 -0.169 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3csnn3)[C@@H]2C1 1188698397 SPXXWJORCGBXHO-CMPLNLGQSA-N 319.390 -0.566 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@@H]1CCN(C(=O)c2ccon2)C1 1189097200 YKQKNEDXNNTYTR-NWDGAFQWSA-N 304.350 -0.041 30 20 DBED CO[C@H](C)CCC(=O)N1CC[C@@H](N(C)CC(=O)NCC#N)C1 1189799080 VEXOEBNAMWUAFT-CHWSQXEVSA-N 310.398 -0.026 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2cnnn2CC)C1 1189985335 ZLLAGXFHAGCRCX-LBPRGKRZSA-N 318.381 -0.806 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(C[C@H]2CCCCO2)C[C@H]1O 1192878454 FACWYNFBDIZLED-RBSFLKMASA-N 310.394 -0.243 30 20 DBED CN(CC(=O)NCC#N)[C@H]1CCN(C(=O)[C@@]2(C)CCOC2)C1 1193056516 JUPFHGXDTDBFTA-WFASDCNBSA-N 308.382 -0.415 30 20 DBED N#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C2(C3CC3)CCC2)C1 1195012900 SSRIQAGUZDWJJU-CHWSQXEVSA-N 320.393 -0.632 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2ccc(Cl)[nH]2)C1 1195981635 XYLSYQDTMOBRBB-GHMZBOCLSA-N 324.768 -0.808 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)CCNC(=O)C2CCCCC2)C1 1196897877 FOURATQZEMSXPM-ZIAGYGMSSA-N 322.409 -0.242 30 20 DBED C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)CCn2cnnn2)C1 1197172030 NTGLTDUMJJSKQG-ZIAGYGMSSA-N 322.413 -0.029 30 20 DBED C[C@H](C#N)C(=O)N1CCC(NCCCN2C(=O)CNC2=O)CC1 1199815411 BFRIBYZGADSKRS-LLVKDONJSA-N 321.381 -0.331 30 20 DBED C[C@@H](C#N)C(=O)N1CCCO[C@@H](CNCCN2CCCC2=O)C1 1200116675 ZXYNOJZLMYSYMC-KBPBESRZSA-N 322.409 -0.024 30 20 DBED C=CCN1CC[C@H](NC2CCN(C(=O)CC(=O)NC)CC2)C1=O 1200237924 XSOKAGVLVOMUAP-ZDUSSCGKSA-N 322.409 -0.510 30 20 DBED COCCn1cc(C(=O)N2CCCO[C@@H](CNCC#N)C2)nn1 1200479987 VMWJSDQWGASSCY-LBPRGKRZSA-N 322.369 -0.731 30 20 DBED C#CCNC[C@H]1CN(C(=O)Cn2nc(C)ccc2=O)CCCO1 1201909576 ZHLUUXPUGIRBPM-AWEZNQCLSA-N 318.377 -0.608 30 20 DBED CC(C)(O)CC(=O)N[C@@H]1C[C@@H](NCC(=O)NCC#N)C12CCC2 1202857652 VRPGZSOJUJUJBS-VXGBXAGGSA-N 322.409 -0.196 30 20 DBED CO[C@H](C(=O)N1CCC(CNCC(=O)NCC#N)CC1)C1CC1 1205137557 NFUPDRXSQDPMEJ-HNNXBMFYSA-N 322.409 -0.121 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)Cc2cnn(C)c2)C1 1207622037 BOAICOWLSNCRTN-CQSZACIVSA-N 317.393 -0.707 30 20 DBED C#CCCN[C@@H]1CCCN(C(=O)CN2CCCS2(=O)=O)C1 1208282356 QXWMUDLFDOPVBE-CYBMUJFWSA-N 313.423 -0.374 30 20 DBED COCC#CCN[C@H]1CCCN(C(=O)[C@@]2(C)CCNC2=O)C1 1209615600 WASZFHOGKZREPK-BBRMVZONSA-N 307.394 -0.257 30 20 DBED CC#CCN[C@H]1CCCN(C(=O)c2cn(C)c(=O)n(C)c2=O)C1 1209923061 YJOOTLDKFTULGT-LBPRGKRZSA-N 318.377 -0.699 30 20 DBED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)[C@@H](C)C(C)C 1213511283 FDCPGEYPOYOABC-YNEHKIRRSA-N 310.398 -0.266 30 20 DBED CC#CCN1C[C@@H](NC(=O)C(C)(C)NC(=O)NC)[C@H](OC)C1 1213920070 POWVFUSPNVBCSW-VXGBXAGGSA-N 310.398 -0.467 30 20 DBED CCCC[C@@H](NC(N)=O)C(=O)N[C@@H]1CN(CC#N)C[C@H]1OC 1213975370 FIDQWOGIRVZWED-IJLUTSLNSA-N 311.386 -0.448 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@@H](NCc2cnnn2C)[C@H](C)C1 1214601726 ALDIDYYVVIXPNC-MBNYWOFBSA-N 305.382 -0.210 30 20 DBED C=CCOCCN[C@@H]1CN(C(=O)C2CC(=O)NC(=O)C2)C[C@H]1C 1215903822 FCKKJOBVDCAJSQ-DGCLKSJQSA-N 323.393 -0.322 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H](C)SC)C1 1219240502 PKMURMZOBDUJFS-MXWKQRLJSA-N 301.412 -0.799 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2c(C)coc2C)C1 1219550787 IIGRBSDQJZVRLU-OLZOCXBDSA-N 321.377 -0.026 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(C[C@@H]2CCNC(=O)CC2)C[C@@H]1O 1219587338 BAGBTQBODXLHET-ZNMIVQPWSA-N 321.421 -0.277 30 20 DBED CCCCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C#CC2CC2)C1 1219591624 NBNKTEQWWRBVFG-KGLIPLIRSA-N 307.394 -0.523 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN([C@H](C)c2noc(C)n2)C[C@@H]1O 1219609402 OYUCRPXHHXQHHO-RTXFEEFZSA-N 322.365 -0.360 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)COCc2cc(C)on2)C1 1219864574 UTTGMCACDCTCJT-KGLIPLIRSA-N 307.350 -0.316 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)C[C@H](C)n2ccnc2)C1 1220441903 RLHXTHWYWJDYOX-ZNMIVQPWSA-N 320.393 -0.355 30 20 DBED CC[C@H](OC)C(=O)N1C[C@H]2CCN(CC(=O)NCC#N)C[C@H]21 1221417834 YIYCAHVBJPBIKB-UPJWGTAASA-N 308.382 -0.416 30 20 DBED C=CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3csnn3)[C@@H]2C1 1221719809 LKFCXHFMCOZIRO-ZYHUDNBSSA-N 321.406 -0.013 30 20 DBED N#CCN[C@@H]1CCCN(C(=O)CCNC(=O)[C@@H]2CCCO2)C1 1222122409 IGCLQXMSMZZTAS-OLZOCXBDSA-N 308.382 -0.224 30 20 DBED COCC#CCN1CCC(NC(=O)c2cn(C)c(=O)n2C)CC1 1230382057 PFEOJCZDLXADTI-UHFFFAOYSA-N 320.393 -0.432 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)NCC1([S@@](C)=O)CCC1 1261198473 MZKMPXZEEITJCS-OAQYLSRUSA-N 308.403 -0.111 30 20 DBED C#CCCCNC(=O)C(=O)N1CCCC[C@H](S(C)(=O)=O)C1 1322980992 LPWNVSSQYYKXRI-LBPRGKRZSA-N 314.407 -0.058 30 20 DBED CC#CCCNC(=O)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O 1323006619 UKUXGTUHSRTUIA-GFCCVEGCSA-N 317.349 -0.829 30 20 DBED Cc1cc(NC(=O)C(=O)N[C@H]2CNC(=O)C2)n(CCC#N)n1 1326089366 BHCBPZVDSRTPHQ-SECBINFHSA-N 304.310 -0.952 30 20 DBED CO[C@@H]1COC[C@H]1NC(=O)NCCN/C(O)=C1\N=CC=CC1=O 1326284711 YTHUUWLVCBWYAU-YKYPZQJLSA-N 324.337 -0.774 30 20 DBED Cc1cc(=O)c(C(=O)NCC[C@H](C)NCC(=O)NCC#N)c[nH]1 1328435858 ADOGZEBGMSSXCR-JTQLQIEISA-N 319.365 -0.579 30 20 DBED N#CC1(NC(=O)Cn2nc3n(c2=O)CCCC3)CCOCC1 1329629910 BUYNOBKJTFGFKG-UHFFFAOYSA-N 305.338 -0.430 30 20 DBED C#CCn1ccc(CN(CC)C(=O)C(=O)N(C)C[C@@H](C)N)n1 1335393509 UNGLSQMHLSPSOO-GFCCVEGCSA-N 305.382 -0.330 30 20 DBED C=CCn1c(C(N)=O)nnc1N1CCN(CC(C)C)C(=O)C1 1338895422 ISWORMNPZVEVGL-UHFFFAOYSA-N 306.370 -0.132 30 20 DBED C=CCOCc1nnc(N2CC[C@@H](C(N)=O)C2)n1CCOC 1341273678 PJNPJUBBYGGAKB-LLVKDONJSA-N 309.370 -0.061 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N[C@@H]1CCCS(=O)(=O)C1 1342118355 CESRGEAPZYKYCS-LLVKDONJSA-N 318.395 -0.659 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)C(=O)N[C@@H]2CCN(C3CC3)C2)C1 1345857294 YNZCMQZRTGOCKR-IAQYHMDHSA-N 306.366 -0.784 30 20 DBED N#Cc1ccc(O[C@@H]2CCN(C(=O)Cn3cnc(N)n3)C2)nc1 1363136836 JGKWEXQZISNKLA-LLVKDONJSA-N 313.321 -0.193 30 20 DBED C[C@@H](Nc1[nH]c(=O)n(C)c(=O)c1C#N)c1nnc2n1CCC2 1363736052 LEQNWWGJOIEOBC-SSDOTTSWSA-N 301.310 -0.344 30 20 DBED CN(C)C(=O)Cn1ccc(NC(=O)N2CC[C@@](O)(CC#N)C2)n1 1364263108 KEDRFAIHRLVRRU-AWEZNQCLSA-N 320.353 -0.146 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H](CNC(=O)Cn2cnnn2)C1 1372647014 LOGXNMKFVNWRBB-GHMZBOCLSA-N 305.342 -0.812 30 20 DBED CC(=O)N[C@H](C)C(=O)N1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 1385622192 PKBDRYAHXCVXSU-SKDRFNHKSA-N 317.349 -0.258 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)CCS(C)(=O)=O)[C@H]2C1 1386102128 FPQBPPCSENUBIN-SVDPJWKOSA-N 313.379 -0.846 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CCCN(C(=O)c2cc(=O)n(C)cn2)C1 1388969555 PCHFROQNCVODNK-MNOVXSKESA-N 317.349 -0.339 30 20 DBED C[C@H](C#N)C(=O)NCC1(NCC(=O)NC(=O)NC2CC2)CC1 1392889189 JJOGICRODGTHBA-SECBINFHSA-N 307.354 -0.627 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1nn(C)cc1Cl 1410115328 ATLOUZABNXPDQK-HTQZYQBOSA-N 313.745 -0.560 30 20 DBED N#CCOc1cccc(CC(=O)NC[C@H](O)Cn2ccnn2)c1 1412215824 NRKBKJZGDOKAFQ-ZDUSSCGKSA-N 315.333 -0.100 30 20 DBED N#Cc1ccc(CNC[C@H](O)CNC(=O)[C@@H]2CCC(=O)N2)s1 1420192037 HQKCLXFWQCPDQM-CABZTGNLSA-N 322.390 -0.535 30 20 DBED C[C@H](CN(C)C(=O)c1cn(C)nn1)NC(=O)c1c[nH]c(C#N)c1 1427538797 ZVMNGWDPFPEGLD-SECBINFHSA-N 315.337 -0.095 30 20 DBED CCn1cc(NC(=O)Cn2cc(C#N)c(O)nc2=O)ccc1=O 1433612622 MWKHWPINUUMAIQ-UHFFFAOYSA-N 315.289 -0.359 30 20 DBED N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)CN1CCOC1=O 1434277969 YZEGDTSXKZBFBS-UHFFFAOYSA-N 320.309 -0.491 30 20 DBED CCC(=O)NCC(=O)N[C@@H](C)CN(C)C(=O)c1cc(C#N)c[nH]1 1443759582 GFQOREWYDYIYPL-JTQLQIEISA-N 319.365 -0.011 30 20 DBED CS(=O)(=O)CCC(=O)N1CC(NC(=O)c2cc(C#N)c[nH]2)C1 1456256432 SZHKTNCBGVZNGA-UHFFFAOYSA-N 324.362 -0.738 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)c2cccc(O)n2)C1 1459655765 WJHAJFNVCFMUMJ-BMIGLBTASA-N 318.333 -0.360 30 20 DBED C#CCNC(=O)CN[C@@H](C)CCNC(=O)[C@H]1CCNC(=O)CC1 1484996000 CFTHUXCLKPWVIW-QWHCGFSZSA-N 322.409 -0.864 30 20 DBED CC(C)c1nccn1CC(=O)NC[C@H](O)CNC(=O)[C@@H](C)C#N 1501526539 XPHWXYJYZMLZJI-RYUDHWBXSA-N 321.381 -0.241 30 20 DBED C[C@H](C#N)C(=O)NC1(C)CCN(C(=O)CS(C)(=O)=O)CC1 1506342544 CCDDCIVIPUNBID-SNVBAGLBSA-N 315.395 -0.312 30 20 DBED C#CCCS(=O)(=O)N(CC)[C@H](C)CC(=O)N1CCNCC1 1574583148 GPVKZQNJDBXFAC-CYBMUJFWSA-N 315.439 -0.128 30 20 DBED N#Cc1nc(N[C@H](CO)[C@H]2CCCOC2)cnc1-c1nn[nH]n1 1581880833 WTIFBPOCSJCINU-WCBMZHEXSA-N 316.325 -0.272 30 20 DBED C#CCn1cc(CNc2cnc(C#N)c(-c3nn[nH]n3)n2)cn1 1588364107 UOKRJRKYNCVKAB-UHFFFAOYSA-N 306.293 -0.030 30 20 DBED C#CCOCCn1nnnc1N1C[C@H]2COCC[C@@]2(C(=O)O)C1 1588498970 JWEPFTXADADKJY-SMDDNHRTSA-N 321.337 -0.750 30 20 DBED C#CCN(CC(=O)N[C@@H](CO)C(=O)O)C(=O)OC(C)(C)C 1602715508 KSXJIBVIMIXJJQ-VIFPVBQESA-N 300.311 -0.582 30 20 DBED C=CCn1cc(C(=O)N2C[C@@H](C(=O)OC)[C@@H](C(=O)O)C2)nn1 1602938244 ZIEDCBGDIDBWBG-DTWKUNHWSA-N 308.294 -0.590 30 20 DBED COC[C@H](C)CC(=O)N1CCC[C@@H]1CNCC(=O)NCC#N 1714353642 ZVVHKTVRIMAFLB-CHWSQXEVSA-N 310.398 -0.121 30 20 DBED Cc1cc(CC(=O)N2CCC[C@@H]2CNCC(=O)NCC#N)no1 1716774171 CWZFTITURLMDJG-CYBMUJFWSA-N 319.365 -0.254 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H](CC)N(C)C)C1 1735783004 UJCFJGKLGGHESL-FRRDWIJNSA-N 313.398 -0.783 30 20 DBED C#CCN1CCN(CCNC(=O)[C@H](NC(C)=O)C(C)C)CC1 1752375666 TUPFJZPSLPEGED-OAHLLOKOSA-N 308.426 -0.486 30 20 DBED C#CCCNC[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 1752807835 OMLNXPJBROMMDG-RYUDHWBXSA-N 306.366 -0.564 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@H](C)NCC(=O)NC(=O)NCC 1752870753 NBBROMWDCAVHMU-HZMBPMFUSA-N 314.386 -0.747 30 20 DBED CCCN(CCNC(=O)[C@@H]1CCC(=O)N1C)CC(=O)NCC#N 1753147209 WFUIRQPJOLPAJD-LBPRGKRZSA-N 323.397 -0.925 30 20 DBED C#CCNC(=O)CN[C@@H](CC)CNC(=O)Cn1ccnc1C 1753494311 CATRCGSFCUUNHU-ZDUSSCGKSA-N 305.382 -0.575 30 20 DBED C#CCCNC[C@@H](CC(C)C)NC(=O)CN1CCOCC1=O 1753736581 NXCOWEXHEDCUNJ-CQSZACIVSA-N 309.410 -0.011 30 20 DBED C=CCNC(=O)NC(=O)CNC1(CNC(=O)c2ccon2)CC1 1754507175 AVFZDOMPQNSJCB-UHFFFAOYSA-N 321.337 -0.462 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2cnccn2)[C@H](C)C1 1754588723 AZDYEAYMLNWIKE-OLZOCXBDSA-N 315.377 -0.191 30 20 DBED C#CCN(C(=O)CNC(=O)CC)C1CCN([C@@H](C)C(N)=O)CC1 1754635027 FWJRFSHKSVSSIK-LBPRGKRZSA-N 322.409 -0.687 30 20 DBED Cn1nncc1CN1CC[C@](O)(CNC(=O)C#CC(C)(C)C)C1 1754751009 CUEKBEUHAFQSCH-INIZCTEOSA-N 319.409 -0.082 30 20 DBED C#CCN[C@H](C)[C@H]1CCN(C(=O)c2cn(CCOC)nn2)C1 1754789667 BVTFPZINTLXBHJ-OLZOCXBDSA-N 305.382 -0.002 30 20 DBED C#CCNC(=O)CN1C[C@H]2CN(C(=O)Cc3cnc[nH]3)C[C@H]2C1 1754845865 WJJSEHLOWZWQFT-BETUJISGSA-N 315.377 -0.908 30 20 DBED C#CCCN(C)CCCN(C)C(=O)CN1CCCS1(=O)=O 1755038019 JDUDTHXVIIFQCY-UHFFFAOYSA-N 315.439 -0.175 30 20 DBED C#CCCNCC1(O)CCN(C(=O)[C@H]2C[C@@H]2C(=O)OC)CC1 1755147873 HYWDWJJLXIIRES-STQMWFEESA-N 308.378 -0.238 30 20 DBED C[C@@H]1C[C@H](NC(=O)c2ncc[nH]2)CCN1CC(=O)NCC#N 1755159829 KBEOZCIGKUGROM-GHMZBOCLSA-N 304.354 -0.368 30 20 DBED C=CCCN[C@@H](CO)CNC(=O)[C@@H]1CCc2nnn(C)c2C1 1755637190 VKZMELPGVABQFA-VXGBXAGGSA-N 307.398 -0.437 30 20 DBED C[C@H]1C[C@H](NCC(=O)NCC#N)CN1C(=O)c1ccncc1 1755668268 BYNNBZPSGDULKX-AAEUAGOBSA-N 301.350 -0.086 30 20 DBED C#CCNC[C@@H](O)CN(C)C(=O)C(C)(C)NC(=O)NCC=C 1755796873 VTPBDEYSLUUIPV-GFCCVEGCSA-N 310.398 -0.708 30 20 DBED CC(C)C#CC(=O)N(C)C[C@H](O)CN(C)CC(=O)NCC#N 1755800739 MNINFPIYORSOHO-CYBMUJFWSA-N 308.382 -0.963 30 20 DBED CN(C(=O)CNC(=O)c1ccccn1)C1CC(NCC#N)C1 1755865638 LJOWWMKWNVGEAW-UHFFFAOYSA-N 301.350 -0.086 30 20 DBED C#CCOCCC(=O)N[C@@H](C)C1CN(C(=O)[C@H]2CCN(C)C2)C1 1756141663 GULXTXJQZBYUPT-KBPBESRZSA-N 321.421 -0.059 30 20 DBED C=C[C@@](C)(O)CC(=O)N(C)C[C@H](C)NC(=O)c1cnnn1C 1756447535 BVPWGEMOWDHIEU-IINYFYTJSA-N 309.370 -0.281 30 20 DBED C=C1CCC(C(=O)N[C@@H](CO)CNC(=O)Cn2cnnn2)CC1 1756507084 VALVVFJEWNOFRG-GFCCVEGCSA-N 322.369 -0.987 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H](CO)NC(=O)[C@@H]1C[C@H]1C 1756530073 NJAKGXCVGDXDGH-SYQHCUMBSA-N 307.394 -0.667 30 20 DBED C#CCCCC(=O)N[C@@H](CO)CNC(=O)c1ccc(O)nc1 1756568225 NZSORADPMBZDBN-GFCCVEGCSA-N 305.334 -0.202 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCN(C)C2)C[C@H]1O 1756993905 UJGSGNVOJTXWKO-MGPQQGTHSA-N 307.394 -0.715 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(C(=O)Cc2ccoc2)C[C@@H]1O 1757173816 JHLSITFUMSNZOD-BNOWGMLFSA-N 320.345 -0.452 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@H](NC(=O)[C@@H](CC)NC(C)=O)C1 1757213548 BLSBPASOWQUQHY-MCIONIFRSA-N 323.393 -0.608 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cnc[nH]1)C2 1800452332 XOVAMVRDGHLSGS-QHBPRCKVSA-N 302.334 -0.825 30 20 DBED CCN(CC#N)C(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 68240895 OUXLRGNRRWPWJU-WDEREUQCSA-N 313.379 -0.606 30 20 DBED C#CCN(C)CCCNC(=O)[C@](C)(O)Cn1ccc(C)cc1=O 294085267 XCVMQSXPPHHSFK-QGZVFWFLSA-N 319.405 -0.021 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H]2CCCN2C)C1=O 299515451 NJMSWUQYACAGNI-SNVBAGLBSA-N 308.338 -0.826 30 20 DBED Cn1c(O)ncc(C(=O)N2CC[C@@H](N/C(O)=N/C3CC3)C2)c1=O 329445717 CLCOQAPGIBBGHX-SECBINFHSA-N 321.337 -0.634 30 20 DBED C[C@@H]1OCC[C@]12CN(/C(O)=N/[C@@H]1CCS(=O)(=O)C1)CCO2 329954038 ODCFGGHWNSAQLX-LOWVWBTDSA-N 318.395 -0.033 30 20 DBED C[C@H]1CN(C(=O)CNc2ccc(C#N)cn2)CCS(=O)(=O)C1 330340599 YCXVZLPRWPKQRS-NSHDSACASA-N 322.390 0.258 30 20 DBED Cc1nc(C#N)c(N2CCN(C(=O)CN(C)CCCO)CC2)o1 331298236 NTFQULHJSDKAKN-UHFFFAOYSA-N 321.381 -0.183 30 20 DBED N#CC1(NC(=O)Cn2nnc3ccccc3c2=O)CCOCC1 332490337 OKSBCAOUKGAJSR-UHFFFAOYSA-N 313.317 -0.020 30 20 DBED CCc1nc([C@@H](C)NS(=O)(=O)N2CCO[C@H](C#N)C2)n[nH]1 336933988 DMHZRESRSKOLQW-RKDXNWHRSA-N 314.371 -0.513 30 20 DBED CCOC(=O)C[C@H](C)N(C)S(=O)(=O)N1CCO[C@H](C#N)C1 336934086 DMWQTEIYPGUTHI-WDEREUQCSA-N 319.383 -0.271 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@H](CO)[C@@H]1CCCO1 337157830 QCMONRYQTXYVJE-NEPJUHHUSA-N 321.399 -0.777 30 20 DBED CC(=O)NCC(=O)N1C[C@@H](C#N)[C@@]2(C1)C(=O)Nc1ccccc12 338361343 YXQRPDNCDLVCAI-BDJLRTHQSA-N 312.329 -0.005 30 20 DBED C=CC[C@@H](CO)CNC(=O)CCn1cc(S(N)(=O)=O)cn1 342183698 QTMHAFJUJNNZCB-SNVBAGLBSA-N 316.383 -0.779 30 20 DBED N#Cc1ccc(NCC(=O)NC[C@@H]2CN(C3CC3)CCO2)nc1 345431574 WJGYLTNPVLMCCH-CQSZACIVSA-N 315.377 0.345 30 20 DBED C=CCNC(=O)CNC(=O)c1cnn(-c2ccccn2)c1N 345652948 DKHNIVNCJJIXLL-UHFFFAOYSA-N 300.322 -0.119 30 20 DBED Cc1nn(C)c(N2CCN(C(=O)CC(=O)N(C)C)CC2)c1C#N 351804591 HJTJEPMIAABTII-UHFFFAOYSA-N 318.381 -0.273 30 20 DBED CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)NCC#N)o1 352527568 BYPWIULJZBVMQI-UHFFFAOYSA-N 315.307 -0.626 30 20 DBED C=C(C)COCCNC(=O)NC[C@@](C)(O)CN1CCOCC1 354899799 VZGOOJKIYJALMT-OAHLLOKOSA-N 315.414 -0.039 30 20 DBED C=CCOC[C@H](NC(=O)[C@H]1CC[C@@H](C(=O)OC)O1)C(=O)OC 356338886 JUDDWYXLZDZKPE-AXFHLTTASA-N 315.322 -0.433 30 20 DBED CN(CC(=O)N[C@@]1(C#N)CCOC1)c1ncnc2[nH]cnc12 358443469 IJWLOAFMCCZPKF-CYBMUJFWSA-N 301.310 -0.412 30 20 DBED C=CCNC(=O)NC(=O)CSc1n[nH]c2nc(=O)c(C)nn12 358621305 UPCRDQWIQLVIMJ-UHFFFAOYSA-N 323.338 -0.775 30 20 DBED CC(C)n1cc(C#N)c(NC(=O)C(=O)N(C)CC[C@@H](C)O)n1 359350823 OFQZICWUZXXTSG-SNVBAGLBSA-N 307.354 0.503 30 20 DBED COC(=O)CNC(=O)c1ccc(NCC(=O)NCC#N)cc1 425944230 LZOGQYLVNXOJDW-UHFFFAOYSA-N 304.306 -0.359 30 20 DBED C#CCNC(=O)C1CCN(c2ncccc2S(N)(=O)=O)CC1 491043862 FCMPSKWDDJWFDB-UHFFFAOYSA-N 322.390 -0.305 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2nccc(C)n2)CC1 491275468 FEKWOXFFRMJNQZ-UHFFFAOYSA-N 301.350 -0.708 30 20 DBED CN(CCC#N)C[C@H](O)CNCCN1CCC(N(C)C)CC1 521227334 DRONAJJASCAIAD-MRXNPFEDSA-N 311.474 -0.192 30 20 DBED CN(CC#CCN1C(=O)c2ccccc2C1=O)[C@@H]1COC[C@H]1O 528503249 DSNRJDYKDGEKBW-HUUCEWRRSA-N 314.341 -0.023 30 20 DBED CN1C[C@H](C(=O)N(C)CCCc2[nH]nc(N)c2C#N)CC1=O 540453072 NCPUXSJREIMQMQ-SECBINFHSA-N 304.354 -0.267 30 20 DBED N#Cc1c[nH]c(=O)n(Cc2nc(CC(F)(F)F)no2)c1=O 564209882 MAJJOBKEMYRVNH-UHFFFAOYSA-N 301.184 -0.056 30 20 DBED CCOC(=O)[C@@](C)(O)CNS(=O)(=O)CC1(CC#N)CC1 568267315 DNWHODRRLAFQIM-NSHDSACASA-N 304.368 -0.086 30 20 DBED CN1CCO[C@H](C(=O)N2CCN(c3cnccc3C#N)CC2)C1 573589561 IHSOFERIXCSJDB-HNNXBMFYSA-N 315.377 -0.068 30 20 DBED C=CCNC(=O)NC(=O)Cn1cc(S(C)(=O)=O)ccc1=O 574517960 QFLUDJKRXASWNH-UHFFFAOYSA-N 313.335 -0.736 30 20 DBED C[C@H]1C[C@@H](O)CN1C(=O)CNS(=O)(=O)c1cccc(C#N)c1 577112563 ZAIYABITYZUBJH-CMPLNLGQSA-N 323.374 -0.182 30 20 DBED N#CC1CN(S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)C1 590089244 LJTMDNNCPZGDSA-UHFFFAOYSA-N 306.303 -0.640 30 20 DBED C=CCOC[C@@H](NS(=O)(=O)[C@@H]1COC[C@@H]1OC)C(=O)OC 591703823 VQZWEAJRZZFUOX-OUAUKWLOSA-N 323.367 -0.936 30 20 DBED C[C@H](C#N)N(Cc1nc2c(=O)n(C)c(=O)n(C)c2[nH]1)C1CC1 595712009 FKFZBDSOZMVYRS-MRVPVSSYSA-N 302.338 -0.163 30 20 DBED CCN1CCCN(C(=O)C(=O)N2CCN(CCC#N)CC2)CC1 601425707 UTAITDDXAVGTKW-UHFFFAOYSA-N 321.425 -0.402 30 20 DBED CCC[C@@H](C#N)NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 608815400 OVIGFOUKWIDPHO-VIFPVBQESA-N 318.337 -0.758 30 20 DBED CC(C)NS(=O)(=O)CCNC(=O)Nc1nn(C)cc1C#N 610565191 QJWPBAXBMHDPMG-UHFFFAOYSA-N 314.371 -0.259 30 20 DBED C=CCn1cc(C(=O)NCCNS(=O)(=O)NC(C)C)nn1 648880121 WBEYMULQXBGRDH-UHFFFAOYSA-N 316.387 -0.974 30 20 DBED C=C[C@@H](O)C(=O)N1CCN(Cc2ccc(C(N)=O)cc2)CC1 666455186 SBHTZWPGFATUNU-CQSZACIVSA-N 303.362 -0.023 30 20 DBED C=CCCOCCNC(=O)C(=O)N[C@H](C)[C@H]1CN(C)CCO1 673595918 XGANCCZJMQGSTQ-CHWSQXEVSA-N 313.398 -0.469 30 20 DBED C=CCN1CC[C@@H](N2CCC[C@H](NS(C)(=O)=O)C2)C1=O 685000019 CAXOYYAAPWJJIX-NWDGAFQWSA-N 301.412 -0.213 30 20 DBED N#CCCNC(=O)COC(=O)CNC(=O)Cc1ccc(O)cc1 726821774 LYIFESNZIZYHNO-UHFFFAOYSA-N 319.317 -0.376 30 20 DBED Cn1nnnc1CSc1nc(N)c(-c2nn[nH]n2)cc1C#N 737627249 OCILPHWIUDBFLN-UHFFFAOYSA-N 315.326 -0.469 30 20 DBED C#CCN1CCN(C(=O)Cn2ccc3ncncc3c2=O)CC1 783077671 XMSIKGFTCWGLSH-UHFFFAOYSA-N 311.345 -0.431 30 20 DBED C#C[C@@H](NC(=O)C(=O)N1CCCN(CC)C(=O)C1)[C@H]1CCCO1 809313833 YDWRHRBHTXEFLR-CHWSQXEVSA-N 321.377 -0.636 30 20 DBED C#CC[C@@H](CO)NC(=O)Cn1c(=O)nc(O)c2ccccc21 816675115 SSHSRNWKNROMSI-JTQLQIEISA-N 301.302 -0.398 30 20 DBED N#Cc1ccc(OC[C@@H](O)CNC[C@H]2CC(C(N)=O)=NO2)cc1 819252227 FWUQIQGSDCCSRJ-WCQYABFASA-N 318.333 -0.482 30 20 DBED C=CCCn1cc(C(=O)NS(=O)(=O)CC(=O)OC)nn1 820048111 KBHXTIGTOGMJBO-UHFFFAOYSA-N 302.312 -0.913 30 20 DBED C#CCOCCNS(=O)(=O)c1ccccc1-c1nn[nH]n1 823855902 CVJUUMNTQSOHHO-UHFFFAOYSA-N 307.335 -0.205 30 20 DBED C#CCNS(=O)(=O)N1CCN([C@@H](CCCC)C(=O)O)CC1 833365889 VXMJMAGAIRQOPU-LBPRGKRZSA-N 317.411 -0.285 30 20 DBED CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CNC[C@@H]2C#N)c1 834516808 MEZHLOBKJNIUEM-AAEUAGOBSA-N 322.390 -0.174 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[C@@H](F)C2)c1=O 840102662 AITJILAZVIAFEY-LLVKDONJSA-N 310.329 -0.455 30 20 DBED CN(CCC#N)S(=O)(=O)N1CC[C@@H](N2CCOC2=O)C1 849435823 LAPMRSILZCAVCY-SNVBAGLBSA-N 302.356 -0.397 30 20 DBED C#CC[C@H](NS(=O)(=O)c1cc(C(=O)OC)no1)C(=O)OC 859187910 WVKJPNPJLFXZNT-ZETCQYMHSA-N 316.291 -0.696 30 20 DBED N#C[C@@H]1CN(C(=O)CNC(=O)N2CCCC2)CCN1C1CC1 900671298 ISQRDQCXGNFADF-CYBMUJFWSA-N 305.382 -0.009 30 20 DBED CCN1CCO[C@H](C(=O)N[C@H]2CCN(C(=O)C#CC3CC3)C2)C1 938049400 TUHNYPDETCQZOC-GJZGRUSLSA-N 319.405 -0.162 30 20 DBED Cc1c[nH]c(C(=O)NC[C@@H]2CN(C(=O)[C@H](C)C#N)CCO2)n1 944611631 SMZMBBFZDRKUPU-MWLCHTKSSA-N 305.338 -0.165 30 20 DBED CC#CCN1CCN(C(=O)[C@@H]2CCc3nnc(O)n3C2)CC1 948939868 UTPLGGORLPDFLX-GFCCVEGCSA-N 303.366 -0.286 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)C[C@@H]1CCC(=O)N1)CCO2 949206740 ADGBKKWLVINTPU-AWEZNQCLSA-N 319.405 -0.018 30 20 DBED N#Cc1cc(C(=O)NC[C@H]2CCN2C(=O)[C@H]2CCC(=O)N2)c[nH]1 949485597 JGOOMCQVOZOFCF-VXGBXAGGSA-N 315.333 -0.504 30 20 DBED Cc1nn[nH]c1C(=O)NC[C@H]1CCN1C(=O)c1ccc(C#N)[nH]1 951442447 ULZICYPJCUOEJQ-SNVBAGLBSA-N 313.321 -0.043 30 20 DBED C[C@@H](C#N)C(=O)N1CCC([C@H]2CCCN2C(=O)C(N)=O)CC1 953487806 UAFPPLUFRSFSLG-CMPLNLGQSA-N 306.366 -0.139 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(N(C)C(=O)c2c[nH]c(=O)cn2)CC1 954228458 GDHQQJPNFBJMBD-JTQLQIEISA-N 317.349 -0.007 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](CNC(=O)c2ccc3nn[nH]c3n2)C1 958121863 MXGAWKKGXSJOJW-MFKMUULPSA-N 316.365 -0.049 30 20 DBED N#CCN1C[C@@H](O)[C@H](CNC(=O)c2cnc3nccn3c2)C1 958257434 FWJKGOPLFWIWLW-ZYHUDNBSSA-N 300.322 -0.725 30 20 DBED C=CCN1C[C@@H](O)[C@H](CNC(=O)c2c(C)nn(C)c2OC)C1 958450128 YJTSQEJADFOZHT-VXGBXAGGSA-N 308.382 -0.054 30 20 DBED C#CCN1C[C@H](CNC(=O)c2cnn(C)c2C2CC2)[C@@H](O)C1 958748938 SYKRQWJQCWEVST-JSGCOSHPSA-N 302.378 -0.047 30 20 DBED C=CCN1CCN(S(=O)(=O)C2CN(C(=O)C(C)C)C2)CC1 961072572 BXHHJLRNZUQQKZ-UHFFFAOYSA-N 315.439 -0.013 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CN(C(=O)C3(C)CC3)C[C@@H]2O)nn1 963317833 QVNJSBXZRJPDCM-PWSUYJOCSA-N 319.365 -0.434 30 20 DBED CO[C@H](C)C(=O)N1CCOC[C@H]1CNC(=O)c1ccc(C#N)[nH]1 964159803 DYMGUJGMTCPJCE-ZYHUDNBSSA-N 320.349 -0.122 30 20 DBED CC[C@H](C(=O)N1CCOC2(CN(C(=O)[C@H](C)C#N)C2)C1)N(C)C 965418246 ZYLROGFZFGUEPC-CHWSQXEVSA-N 322.409 -0.074 30 20 DBED C[C@H]1CN(C(=O)CC(N)=O)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 966252067 UVMNURDQHLAXCM-GZMMTYOYSA-N 303.322 -0.662 30 20 DBED C=CCn1cc(C(=O)N2CC[C@@H](N[C@@H]3CCN(C)C3=O)C2)nn1 970205845 OBBRSEYIXNCAMJ-VXGBXAGGSA-N 318.381 -0.501 30 20 DBED C=CCCN1CCO[C@@]2(CCN(C(=O)Cn3cnnn3)C2)C1 972248711 LBQDEHUPCRAYSK-AWEZNQCLSA-N 306.370 -0.448 30 20 DBED CCn1nc(C(=O)NC[C@H]2[C@@H]3CN(CC#N)C[C@H]23)ccc1=O 978863713 DXJXQACEYCADRO-CNDDSTCGSA-N 301.350 -0.306 30 20 DBED C#CCN1CCCN(C(=O)C2(n3cnnn3)CCOCC2)CC1 982156036 FYMDVEJMKTVUBA-UHFFFAOYSA-N 318.381 -0.654 30 20 DBED O=C1NCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)C#CC2CC2)C1 982740166 UZOGPPGYYABRAK-CHWSQXEVSA-N 303.362 -0.499 30 20 DBED C=CCN[C@@H]1C[C@@H](C)N(C(=O)CN2C(=O)C(=O)N(C)C2=O)C1 989513367 CQMPHUILCBDDTB-NXEZZACHSA-N 308.338 -0.828 30 20 DBED C#Cc1cncc(C(=O)N[C@H]2CCN(C(=O)COC)C[C@H]2O)c1 991766240 XWALHHDNQXJUAD-UONOGXRCSA-N 317.345 -0.599 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)[C@H]2CCn3cncc3C2)C1 994549177 NJNNZSOTXMZDFS-QWRGUYRKSA-N 301.350 -0.068 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN(C(=O)c2n[nH]cc2F)C1 994754398 LIMWBOMMKMSYKZ-LBPRGKRZSA-N 319.340 -0.413 30 20 DBED CCn1nc(C)c(C(=O)NC2CN(C(=O)C#CC3CC3)C2)n1 994963566 WYOBVDGTSZWGTR-UHFFFAOYSA-N 301.350 -0.040 30 20 DBED C[C@H](C#N)C(=O)N1CC(NC(=O)[C@H]2CCc3nncn3CC2)C1 997010577 FMPJNHLTCJIYLX-MNOVXSKESA-N 316.365 -0.283 30 20 DBED Cc1nn(C)c(=O)c(C(=O)NC2CN(C(=O)[C@H](C)C#N)C2)c1C 997312683 VNYBFQNOWVHFAS-MRVPVSSYSA-N 317.349 -0.503 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)CCn3cnnn3)C2)cc1 997331085 HOIAFIOQBUBWAX-UHFFFAOYSA-N 324.344 -0.315 30 20 DBED C[C@H](C#N)C(=O)N1CC(NC(=O)c2ccnc3c2nnn3C)C1 998518227 PNXWYDQNTAUWDC-MRVPVSSYSA-N 313.321 -0.536 30 20 DBED N#Cc1c[nH]c(C(=O)NCC2[C@H]3CN(C(=O)CC(N)=O)C[C@H]23)c1 1008925322 WYTXESBLTZXBSL-GHMZBOCLSA-N 315.333 -0.804 30 20 DBED N#Cc1cc(C(=O)NCC2[C@H]3CN(C(=O)CC(N)=O)C[C@H]23)c[nH]1 1008961402 FYDIKXCHANOWOC-VXGBXAGGSA-N 315.333 -0.804 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCCN(C(=O)Cn3nccn3)C2)C1 1010830235 MLVKMJKMHPVYAU-GFCCVEGCSA-N 316.365 -0.111 30 20 DBED N#Cc1cc(C(=O)N2C[C@@H]3C(NC(=O)Cn4ccnc4)[C@H]3C2)c[nH]1 1013337070 JZEUKPSMRREQMX-STQMWFEESA-N 324.344 -0.030 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2C(NC(=O)c3ccn(C)c(=O)c3)[C@@H]2C1 1013371796 DKDNJWBGXQGDOU-YUSALJHKSA-N 314.345 -0.268 30 20 DBED N#Cc1ccccc1CN1CC[C@@H](NC(=O)Cn2ncnn2)C1 1014428621 LNUULNPURPYJMS-CQSZACIVSA-N 311.349 -0.065 30 20 DBED N#Cc1cccc(CN2CC[C@@H](NC(=O)[C@@H]3CNC(=O)N3)C2)c1 1015636013 ZNPIVPVASCLPAN-KGLIPLIRSA-N 313.361 -0.070 30 20 DBED CC(=O)N1CCOC[C@H]1C(=O)N[C@H]1CC12CCN(CC#N)CC2 1016988034 XKCQEFHRRBJFQR-KBPBESRZSA-N 320.393 -0.272 30 20 DBED N#Cc1cc(C(=O)NCC2=CCN(C(=O)CC(N)=O)CC2)c[nH]1 1017395784 DSZIHUBNZHDZFG-UHFFFAOYSA-N 315.333 -0.350 30 20 DBED N#CCN1[C@H]2CC[C@H]1CC(NC(=O)c1nnc(O)nc1O)C2 1021312297 FLAXYCNCNCKZPY-IUCAKERBSA-N 304.310 -0.468 30 20 DBED CC(F)(F)C(=O)N[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1O 1022898715 LYUDXCDEAASUEC-NXEZZACHSA-N 312.276 -0.157 30 20 DBED C=CCN(C)[C@H]1CCCN(C(=O)Cn2nc(C)n(C)c2=O)C1 1027666797 KBPHEGJKGHIQOS-ZDUSSCGKSA-N 307.398 -0.001 30 20 DBED C=CCN1CC[C@H](CNC(=O)c2cn(CC(=O)N(C)C)nn2)C1 1029003574 KASYEALQCXAWRS-GFCCVEGCSA-N 320.397 -0.396 30 20 DBED C#Cc1ccc(C(=O)NC2CN([C@H](C)C(=O)N(C)C)C2)cn1 1031279383 AZJBGDDUMQBXRE-LLVKDONJSA-N 300.362 -0.046 30 20 DBED Cn1nnc(CN2CC(CNC(=O)c3c[nH]c(C#N)c3)C2)n1 1031622465 LPFQSNQMWPUZRM-UHFFFAOYSA-N 300.326 -0.728 30 20 DBED C#CCN1CC[C@H](N(C)C(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 1033315075 JBVLTKLINDMIDL-NSHDSACASA-N 314.353 -0.527 30 20 DBED CC#CCN1CC[C@H](N(C)C(=O)CN2C(=O)NC(=O)C2(C)C)C1 1033556179 WQIOLUCBITTWMG-LBPRGKRZSA-N 320.393 -0.127 30 20 DBED CNC(=O)[C@H](C)N1CCO[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 1035325250 CTSORPXLPAWHKR-CMPLNLGQSA-N 319.365 -0.549 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CN(CCOC)CCO1 1035401303 YSEDMQPDZXHITK-CABCVRRESA-N 309.410 -0.453 30 20 DBED C[C@H]1CN(C(=O)c2cn(C)c(=O)n(C)c2=O)CC[C@H]1NCC#N 1036205446 XDLMOUCPIGSXHE-CMPLNLGQSA-N 319.365 -0.952 30 20 DBED C=CCN1CC[C@@H]2CN(C(=O)CN3CCOCC3=O)CC[C@@H]21 1036738516 IWDORERGHAOKMU-KGLIPLIRSA-N 307.394 -0.046 30 20 DBED C#CCN[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)C[C@@H]1CC 1037985530 LNUZYBSCFGRHLT-RYUDHWBXSA-N 306.366 -0.612 30 20 DBED C=CCCn1cc(C(=O)NC[C@H]2CCN2[C@H](C)C(=O)NC)nn1 1038788836 CDUSPNQEOSUJFH-VXGBXAGGSA-N 320.397 -0.207 30 20 DBED Cc1c[nH]nc1C(=O)NC[C@]1(O)CCN(C(=O)[C@@H](C)C#N)C1 1039668955 DOJYPDGBJCLAJH-LKFCYVNXSA-N 305.338 -0.429 30 20 DBED Cc1nc[nH]c1C(=O)N1CC[C@@](O)(CNC(=O)C#CC2CC2)C1 1039685198 KNZCKWXDWFRUDR-MRXNPFEDSA-N 316.361 -0.175 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)C3=CCOCC3)C2)nn1 1040998112 SYDSLSPRMLQTBW-CHWSQXEVSA-N 315.333 -0.639 30 20 DBED C=CCn1cc(C(=O)N2CC[C@@]3(CCN(CC(N)=O)C3)C2)nn1 1041728013 CJKIIUMNQMZOAC-OAHLLOKOSA-N 318.381 -0.513 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)c2ccnnc2C)C1 1042040150 PCBHMFQDFBFQDN-UHFFFAOYSA-N 320.349 -0.709 30 20 DBED Cn1cnn(CC(=O)N2CC[C@H]3CCN(CC#N)[C@@H]3C2)c1=O 1042122103 LRNUBMFQZUOBCF-VXGBXAGGSA-N 304.354 -0.972 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)C2CC(F)(F)C2)C1 1042460800 UXLQOBUBDWDWNZ-UHFFFAOYSA-N 318.320 -0.076 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)Cc2[nH]cnc2C)C1 1042798892 FPPCEWWXIZNSGH-UHFFFAOYSA-N 318.377 -0.246 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)c2ncn(C)n2)C1 1042897927 PCPPQZLQWVUVCW-UHFFFAOYSA-N 307.354 -0.670 30 20 DBED CCc1nc[nH]c1C(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042960857 OZGINZRYOBBUGR-UHFFFAOYSA-N 316.361 -0.311 30 20 DBED CN1CC[C@@H](C(=O)N[C@@H]2CN(c3ncccc3C#N)C[C@@H]2O)C1 1043965147 BRLQULSVBZYBRK-MCIONIFRSA-N 315.377 -0.429 30 20 DBED C=CCCN1CC(N(C)C(=O)[C@@H]2CCN(C)S2(=O)=O)C1 1044035818 GAMOTCGIYMUZKI-LBPRGKRZSA-N 301.412 -0.261 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)[C@H](F)CC)C1 1044805055 BPXYZNVVSDXNIG-WDEREUQCSA-N 300.330 -0.538 30 20 DBED CCCN1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@@H](C)C#N)C1 1045559735 OXAHSWXYXFHOMN-STQMWFEESA-N 322.409 -0.290 30 20 DBED COc1nc(C(=O)N2CC(O)(CNC(=O)[C@@H](C)C#N)C2)co1 1045559838 QETCHOYWLGXYGK-QMMMGPOBSA-N 308.294 -0.854 30 20 DBED C#CCN1CC[C@H](N2CCN(C(=O)C(C)(C)C(N)=O)CC2)C1 1046037029 JRUOITXZIPYWQA-ZDUSSCGKSA-N 306.410 -0.650 30 20 DBED C=C(Cl)CN1CC[C@@](C)(NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 1046663723 DYGOEFRPFACSEV-TVQRCGJNSA-N 314.773 -0.082 30 20 DBED C#CCN1CC[C@](C)(NC(=O)c2nc(O)nc(O)c2OC)C1 1046773462 ZTSVAKFCJUKNKF-AWEZNQCLSA-N 306.322 -0.276 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2c(O)nnc(C)c2C)C1 1047481428 CCBSCLDBHZFOQS-RYUDHWBXSA-N 304.350 -0.451 30 20 DBED CC(=O)NCc1ccc(C(=O)N(C)[C@H]2CN(CC#N)C[C@@H]2O)o1 1047565243 HGXNDRVSENZDCF-STQMWFEESA-N 320.349 -0.444 30 20 DBED CNC(=O)c1cccc(C(=O)N(C)[C@H]2CN(CC#N)C[C@@H]2O)n1 1047615248 RISMGIHVMLQHKF-STQMWFEESA-N 317.349 -0.918 30 20 DBED C[C@@H]1CCN(C(=O)C(N)=O)[C@H](CN=c2cc[nH]cc2C#N)C1 1048316117 ALGKXYRUAROCKY-PWSUYJOCSA-N 301.350 -0.101 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)c2ccncn2)C[C@@H]1O 1049394568 LPXZQKHYTXJGSX-DLOVCJGASA-N 303.322 -0.720 30 20 DBED C#CCOCCC(=O)N1CC[C@H]([C@H](C)NC(=O)c2nc[nH]n2)C1 1050730806 ZKUCVWDGQNMHDI-RYUDHWBXSA-N 319.365 -0.189 30 20 DBED C[C@@H](NC(=O)C#CC1CC1)[C@H]1CCN(C(=O)Cn2ncnn2)C1 1050810016 WXDVBTPWFAOSLY-YPMHNXCESA-N 316.365 -0.560 30 20 DBED N#CCN1CCOC[C@H]1CNC(=O)[C@@H]1CN2CC3CC2(CO1)C3 1051037899 OWJRWZARLVDIDH-IQXANGCESA-N 320.393 -0.810 30 20 DBED CC#CCN1CCOC[C@@H]1CNC(=O)[C@H]1CN(CC)CCO1 1051251597 PZZYSYOZJNOIGI-LSDHHAIUSA-N 309.410 -0.453 30 20 DBED N#Cc1cnc(NC2CC(CNC(=O)[C@H]3CCC(=O)N3)C2)cn1 1051873359 KBCLAUUIFJJEJA-RTYFJBAXSA-N 314.349 -0.066 30 20 DBED C#Cc1ccc(C(=O)N2C[C@H](C)[C@H](CNC(=O)C(N)=O)C2)nc1 1053089200 HFXKYKWQFCSTEB-CMPLNLGQSA-N 314.345 -0.628 30 20 DBED C#CCN1CC2(C1)CN(C(=O)[C@H]1CN(C)C[C@@H](C)O1)CCO2 1053304682 NTIMRZXZHYUHQC-ZIAGYGMSSA-N 307.394 -0.748 30 20 DBED Cn1cc(C(=O)N2CCOC3(CN(CC#N)C3)C2)ccc1=O 1053325925 IRJGKBWDKUSSES-UHFFFAOYSA-N 302.334 -0.564 30 20 DBED C=CCCN1CC2(C1)CN(C(=O)CN1CCCNC1=O)CCO2 1053327439 IIHIQKWOPVBSJN-UHFFFAOYSA-N 322.409 -0.109 30 20 DBED C=C(C)CCN1CC2(C[C@@H](NC(=O)Cn3cnnc3O)CO2)C1 1053782670 YVRSFBFZKBVBGR-GFCCVEGCSA-N 321.381 -0.091 30 20 DBED C=CCN1CC2(C[C@@H](NC(=O)[C@@H]3CN(C(C)=O)CCO3)CO2)C1 1053997656 SXISKQCXYGFFJX-KGLIPLIRSA-N 323.393 -0.621 30 20 DBED N#Cc1cnccc1N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cn1ncnn1 1055392118 DXUHQOLPENYRDT-BZPMIXESSA-N 324.348 -0.134 30 20 DBED C=CCCC(=O)N[C@]1(CO)CCCN(C(=O)CC(=O)NC)C1 1055824387 SJSOJUOHHBXWKC-OAHLLOKOSA-N 311.382 -0.442 30 20 DBED Cc1nonc1C(=O)N[C@H]1[C@@H]2CN(c3ccnc(C#N)n3)C[C@@H]21 1056242972 RQZJODYSNGDTOQ-WOFXILAISA-N 311.305 -0.096 30 20 DBED CCc1nc(C#N)cc(N(C)[C@H]2CCN(C(=O)C(N)=O)C2)n1 1057010645 AXOLXFMVAZVDEB-JTQLQIEISA-N 302.338 -0.567 30 20 DBED C=C[C@](C)(O)CC(=O)NCCN(CCO)C(=O)[C@H]1CCOC1 1057145397 AUTBUMMXOIVUIU-WFASDCNBSA-N 314.382 -0.713 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)[C@H]1C[C@@H]1C(F)F 1057482327 XVWQTSLHXGXYJI-GUBZILKMSA-N 303.309 -0.016 30 20 DBED O=C(C#CC1CC1)NCCN(CCO)C(=O)[C@@H]1C[C@H]2C=C[C@H]1O2 1057945027 MZMXYVZXKDMORR-RBSFLKMASA-N 318.373 -0.320 30 20 DBED C=C[C@H](C)[C@H](C)C(=O)N(CCO)CCNC(=O)CNC(C)=O 1058433817 YCVGQUCCTNEKKQ-RYUDHWBXSA-N 313.398 -0.482 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)C12CCCN1CCC2 1058653404 UWIIGRDAFFPQIA-CYBMUJFWSA-N 322.409 -0.288 30 20 DBED CC(C)N1CCC[C@@H]1C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N 1058658950 OVZHPFJXVXMMGK-UONOGXRCSA-N 324.425 -0.044 30 20 DBED N#Cc1cncc(N[C@H]2CCN(C(=O)c3c[nH]c(=O)cn3)C2)n1 1059049638 ZDEBHVRECKZQCS-VIFPVBQESA-N 311.305 -0.242 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 1060992624 ZWHBEWAHQNCTNR-RTXFEEFZSA-N 313.361 -0.243 30 20 DBED C=CCCC(=O)NC[C@H]1COCCN1C(=O)c1ncn(C)n1 1061406682 KORSIBMXTQZAIB-NSHDSACASA-N 307.354 -0.262 30 20 DBED Cc1nccn1CC(=O)NC[C@@H]1COCCN1C(=O)[C@H](C)C#N 1061598871 GVMNXYRSLAZLRW-DGCLKSJQSA-N 319.365 -0.305 30 20 DBED N#Cc1nccnc1N1CC[C@@H](CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 1061731970 AGNDNTKLHDDWQQ-AXFHLTTASA-N 314.349 -0.588 30 20 DBED Cc1ccnn1CC(=O)N1CCOC[C@H]1CNC(=O)[C@@H](C)C#N 1061852524 JIJWZVHUFIVLNV-WCQYABFASA-N 319.365 -0.305 30 20 DBED NC(=O)[C@@H]1C[C@@H]1C(=O)NC1(CNC(=O)C#CC2CC2)CCC1 1062980435 WYDKUTWZXCJTGW-NEPJUHHUSA-N 303.362 -0.324 30 20 DBED N#Cc1nccc(N2CCO[C@H](CNC(=O)c3cn[nH]c3)C2)n1 1063609756 SRTIZGSNQHHRBS-LLVKDONJSA-N 313.321 -0.293 30 20 DBED CN(CCC1CCN(C(=O)C(N)=O)CC1)c1nccnc1C#N 1063972086 SBIATPWBYYDSQY-UHFFFAOYSA-N 316.365 -0.102 30 20 DBED C#CCCCC(=O)N1CCO[C@H](CNC(=O)[C@H](C)NC(C)=O)C1 1065099649 MTMKWYRSXLHCLQ-GXTWGEPZSA-N 323.393 -0.342 30 20 DBED C=C(C)CCC(=O)N1CCO[C@@H](CNC(=O)Cn2ncnn2)C1 1065224670 SYOZVIJTDKQYSE-LBPRGKRZSA-N 322.369 -0.627 30 20 DBED C#CCCCCCC(=O)NC[C@@H]1CN(C(=O)C(N)=O)CCO1 1065556475 UACPFLHYQFPOIR-GFCCVEGCSA-N 309.366 -0.601 30 20 DBED N#Cc1cncc(N2CCOC[C@@H]2CNC(=O)c2cnon2)n1 1066497706 SNABDKJBPCUTBD-JTQLQIEISA-N 315.293 -0.634 30 20 DBED COCC(=O)N1CCO[C@@H](CNc2nc(C)cc(C#N)n2)C1 1066592281 RCSVABPVNIMKRK-LBPRGKRZSA-N 305.338 -0.058 30 20 DBED Cn1cnc(C(=O)NCC2[C@H]3CN(c4ccc(C#N)nn4)C[C@H]23)n1 1068170463 GVWNLLGKGPEVNK-VXGBXAGGSA-N 324.348 -0.411 30 20 DBED C#CCCCC(=O)N[C@@H]1COC2(C1)CN(C(=O)c1cnn[nH]1)C2 1068833440 NTDZLAXBOCTRMS-NSHDSACASA-N 317.349 -0.292 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(C[C@H](NC(=O)CC(C)(C)O)CO2)C1 1068842692 PSJJFGTUXVAYSC-QWRGUYRKSA-N 309.366 -0.207 30 20 DBED CC1(C)CN(C(=O)c2cnn[nH]2)C[C@H]1N=c1cc[nH]c(C#N)n1 1069630225 BXLQHWHMWVZALJ-SNVBAGLBSA-N 312.337 -0.149 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CCCN(C(=O)[C@H]2CCC(=O)N2)C1 1070551351 MOTNJNCFIHLPHY-YNEHKIRRSA-N 321.377 -0.590 30 20 DBED C#CCCCCC(=O)N[C@@H]1CCCN(C(=O)Cn2ncnn2)C1 1070775953 ZLUVIYLGZQMMEP-CYBMUJFWSA-N 318.381 -0.026 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)c2ccc(C#N)[nH]2)CC1 1070956348 LXPIYGGIDUTTLD-UHFFFAOYSA-N 313.361 -0.216 30 20 DBED C#CCC1(C(=O)N2C[C@H](C)[C@H](NC(=O)CNC(N)=O)C2)CCC1 1072236714 GKFITMUBPBGIKP-NWDGAFQWSA-N 320.393 -0.189 30 20 DBED C=C[C@H](C)[C@@H](C)C(=O)N1CCN(C2CN(C(=O)C(N)=O)C2)CC1 1073591152 VCUULEIRNHPDHD-NWDGAFQWSA-N 322.409 -0.715 30 20 DBED CC(=O)N[C@@H](C)C(=O)NCC1(O)CCN(C(=O)[C@@H](C)C#N)CC1 1074703380 CVWSXUIYEMXZID-QWRGUYRKSA-N 324.381 -0.860 30 20 DBED C=CCOCC(=O)NCC[C@H](C)NC(=O)c1cnc(O)n1C 1075921236 NQKLLERPMRIQIR-JTQLQIEISA-N 310.354 -0.047 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)c2cn(C(C)(C)C)nn2)C1 1077105504 XVORJJPYPZSSPN-DGCLKSJQSA-N 305.382 -0.169 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)Cc2cnn3c2CCCC3)C1 1077169773 JHTALIDGGSKIOL-GDBMZVCRSA-N 316.405 -0.054 30 20 DBED CCCC(=O)N1CCC(C(=O)N[C@@H]2CN(CC#N)C[C@H]2O)CC1 1078219645 IVCVKMHTLFZIQQ-ZIAGYGMSSA-N 322.409 -0.290 30 20 DBED N#CCN[C@@H]1C[C@H](NC(=O)CN2C(=O)CCC2=O)C12CCC2 1078804379 UYEBEUSOCKKMJA-MNOVXSKESA-N 304.350 -0.324 30 20 DBED CC#CCN1C[C@@H](NC(=O)c2cn(C)c(=O)nc2O)[C@H](C)C1 1080930983 YQIVCPJNGCGHBT-ZYHUDNBSSA-N 304.350 -0.441 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2(C(=O)NC)CC2)C1 1081594119 AUKAUZDKCVVTOT-NWDGAFQWSA-N 323.393 -0.586 30 20 DBED C=CCOCCCC(=O)N1CCCC[C@H]1CNC(=O)C(N)=O 1081986252 XUADNPSSPBABKT-LBPRGKRZSA-N 311.382 -0.048 30 20 DBED C#CCCN1C[C@@H](NC(=O)Cn2ccc(C)cc2=O)[C@H](OC)C1 1082190811 JEGMLSUBMNJJPI-HUUCEWRRSA-N 317.389 -0.005 30 20 DBED C=CCn1cc(C(=O)N2C[C@@H](N[C@H](CC)C(N)=O)[C@H](C)C2)nn1 1082791247 IAGQEQNECKEXKK-IJLUTSLNSA-N 320.397 -0.222 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)c2nnn(C(C)(C)C)n2)C1 1083477775 FCRWEWWXOBKITC-MNOVXSKESA-N 306.370 -0.774 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2c[nH]nc2-c2ccccn2)C1 1083514337 ZRBSXHGHMSFGTA-KGLIPLIRSA-N 311.345 -0.120 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCc3nncn3CC2)C1 1083652736 DRSUOKUDINGVDT-MJBXVCDLSA-N 317.393 -0.585 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)c2cn(C)nc2[C@H]2CCOC2)C1 1083675046 JNFFCAIOTQGQSG-YUTCNCBUSA-N 320.393 -0.115 30 20 DBED C#CCN[C@H]1CCCCCN(C(=O)c2cn(CC(N)=O)nn2)C1 1088430610 UBKZWUIOXYJRBX-LBPRGKRZSA-N 318.381 -0.629 30 20 DBED C[C@H](C[C@@H](C)Nc1nccnc1C#N)NC(=O)Cn1ncnn1 1089400730 PHRXSDAEHCSHCJ-NXEZZACHSA-N 315.341 -0.270 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)c2cn(CCOC)nn2)[C@H](O)C1 1090260146 ZUKNKQLNRRWZDF-GXTWGEPZSA-N 323.397 -0.334 30 20 DBED N#Cc1ccc(CN2CC[C@H](NC(=O)C(N)=O)[C@@H](O)C2)s1 1090530114 AQPIPNWVESMZLM-QWRGUYRKSA-N 308.363 -0.844 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1091152620 DOASIIQHYAICAY-TUAOUCFPSA-N 315.333 -0.948 30 20 DBED CC(C)(O)CC(=O)N[C@@H]1CCN(c2nccnc2C#N)C[C@@H]1O 1092147045 ZIQRZBDCKDYVCC-PWSUYJOCSA-N 319.365 -0.435 30 20 DBED CCc1nc(C#N)cc(NCCNC(=O)Cc2nc[nH]n2)n1 1093852546 OGIZPDSGVWIUTG-UHFFFAOYSA-N 300.326 -0.200 30 20 DBED CCn1ncc(C(=O)NCc2cn(C3CN(CC#N)C3)nn2)n1 1094288171 GSSLFLZBPXPLAL-UHFFFAOYSA-N 315.341 -0.800 30 20 DBED CC#CCN1CC(N2C[C@H](NC(=O)C[C@H]3CCCO3)CC2=O)C1 1094710856 XQARZJXBVYPRMI-UKRRQHHQSA-N 319.405 -0.020 30 20 DBED Cc1cc(C#N)nc(NCCCNC(=O)c2nnn(C)n2)n1 1094725337 QRLBBQRLJASJDB-UHFFFAOYSA-N 301.314 -0.588 30 20 DBED Cc1cc(C#N)nc(NCCCNC(=O)C2(C(N)=O)CC2)n1 1094740373 BMALDKQMSYUOSU-UHFFFAOYSA-N 302.338 -0.160 30 20 DBED CC#CCN1CC(N2C[C@@H](NC(=O)c3[nH]nnc3C)CC2=O)C1 1094772514 WNIPXJHAZRGVEK-NSHDSACASA-N 316.365 -0.849 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](Nc2nc(C)ns2)C1 1095034605 AHPIERMEQSKBHZ-SNVBAGLBSA-N 307.379 -0.001 30 20 DBED CN(CCCNC(=O)c1cn(C)nn1)c1ccnc(C#N)n1 1095539167 FFOWHVWLMKIRRW-UHFFFAOYSA-N 300.326 -0.267 30 20 DBED C[C@@H](CC(N)=O)C(=O)NCCCN(C)c1cnc(C#N)cn1 1095704683 BFTOWNAJCWOLIO-JTQLQIEISA-N 304.354 -0.198 30 20 DBED CCN(CCCNC(=O)[C@H]1CNC(=O)N1)c1ccc(C#N)nn1 1095960158 UQRPWPJDBRTDLH-LLVKDONJSA-N 317.353 -0.638 30 20 DBED CS(=O)(=O)CC(=O)N[C@H]1C[C@@H](Nc2ccc(C#N)nn2)C1 1097153891 SQYPWBQRWKKRKI-AOOOYVTPSA-N 309.351 -0.548 30 20 DBED COCCN1C[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC#N)CC1=O 1097171005 JQSRLTWKBXQJDJ-DGAVXFQQSA-N 320.393 -0.274 30 20 DBED N#Cc1nc(=N[C@H]2C[C@@H](NC(=O)C3(C(N)=O)CC3)C2)cc[nH]1 1097248385 GLFQNJJKEPMCDF-DTORHVGOSA-N 300.322 -0.905 30 20 DBED CC[C@H](C)C(=O)NCC(=O)NC[C@H](C)N=c1cc[nH]c(C#N)n1 1097863664 NYFOFBKVUGMCDN-QWRGUYRKSA-N 318.381 -0.151 30 20 DBED C#CCCN(CCO)C1CCN(C(=O)c2cnn(C)n2)CC1 1098500415 ZWDFTZSGNWUUPQ-UHFFFAOYSA-N 305.382 -0.263 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H]1CCN(C(=O)CCNC(N)=O)C1 1098529270 INZSVGXEHCXLLU-NSHDSACASA-N 316.365 -0.306 30 20 DBED C=CCNCc1cn([C@H]2CCN(C(=O)[C@@H]3COC(=O)N3)C2)nn1 1098667351 XYHBLZMTJAMCCB-RYUDHWBXSA-N 320.353 -0.565 30 20 DBED C[C@H](CCNC(=O)[C@H]1COC(=O)N1)Nc1cncc(C#N)n1 1099078582 ZTYOQWPVNZVQPY-PSASIEDQSA-N 304.310 -0.237 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)c2cnsn2)[C@H](O)C1 1099690506 PKUQSHSYFFYOHO-ZYHUDNBSSA-N 312.395 -0.094 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)CCCOC)[C@@H](O)C1 1099704979 TXGWDPUYFHABEN-OLZOCXBDSA-N 313.398 -0.733 30 20 DBED COCC#CCN1CC[C@H](NC(=O)C(C)(C)COC)[C@@H](O)C1 1099919450 ZWPRMHHODIYXLX-KBPBESRZSA-N 312.410 -0.140 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)c2cc(C)co2)[C@H](O)C1 1099949976 XCJURPOZODOOTQ-CHWSQXEVSA-N 319.361 -0.498 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)c2conc2C)[C@@H](O)C1 1099978165 AYNTVZCPOULRAZ-STQMWFEESA-N 322.365 -0.550 30 20 DBED CCN(CCNC(=O)Cn1ncnn1)c1ccc(C#N)cn1 1100625033 NODXFECTFKTVKW-UHFFFAOYSA-N 300.326 -0.418 30 20 DBED Cc1nc(N2CC[C@H](CNC(=O)CNC(N)=O)C2)ccc1C#N 1100927664 NPGHQWODZUHUBT-LLVKDONJSA-N 316.365 -0.128 30 20 DBED CC#CCN1C[C@@H]2CN(C(=O)CS(=O)(=O)NC)C[C@]2(C)C1 1101465453 IUBIOBNYWVAFJM-OCCSQVGLSA-N 313.423 -0.661 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)[C@@H]1CCCS1(=O)=O 1101641981 JRYNSPOVCDZMQA-JTQLQIEISA-N 323.378 -0.782 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1CNC(=O)c1ccc[nH]1 1101714983 WQRXUQNCNDDGCP-VXGBXAGGSA-N 303.366 -0.048 30 20 DBED COCCCC(=O)NC[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1101763902 HNNTXNMZTYOUSB-CHWSQXEVSA-N 310.398 -0.263 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)CCN=c1cc[nH]c(C(=O)OC)n1 1101781593 YDPBQZWVOFEPOV-NSHDSACASA-N 320.349 -0.406 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)[C@@H]1CC(=O)N(C)C1 1104254994 TVTKGHXHBGTAKG-GHMZBOCLSA-N 316.365 -0.587 30 20 DBED C[C@@H](CNc1cnc(C#N)cn1)N(C)C(=O)[C@H]1CCNC1=O 1104763124 BCWQLWUJDMLDJI-ONGXEEELSA-N 302.338 -0.257 30 20 DBED CC(C)[C@H](CNC(=O)Cn1nccn1)N=c1cc[nH]c(C#N)n1 1105236983 DBUIZGIDDOZIJC-NSHDSACASA-N 314.353 -0.385 30 20 DBED C#CCNCc1cn(C2CN(C(=O)COCCOCC)C2)nn1 1105378343 AQEIDJJNKSQHOC-UHFFFAOYSA-N 321.381 -0.563 30 20 DBED CN(C)C1(C(=O)NC[C@@H](O)CNc2nccnc2C#N)CCC1 1106004199 OJHYZMZCGOEPMX-NSHDSACASA-N 318.381 -0.278 30 20 DBED Cc1ccc(C#N)c(NC[C@@H](O)CNC(=O)C2(C(N)=O)CC2)n1 1106097413 GSRGCVYBIUCSRG-LLVKDONJSA-N 317.349 -0.584 30 20 DBED N#Cc1cnc(NC[C@H](O)CNC(=O)Cc2cnc[nH]2)cn1 1106129158 CUPAVBFEYNORAZ-NSHDSACASA-N 301.310 -0.797 30 20 DBED CC[C@@H]1CCO[C@@H]1C(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1 1106160024 RZFOSSWIDRGNAH-SUNKGSAMSA-N 319.365 -0.526 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)[C@@H]2COCCN2C(C)=O)C[C@H]1C 1107002519 DUJLQTMUJUUQAN-BMFZPTHFSA-N 321.421 -0.059 30 20 DBED C=CCCN1CC(n2cc(CNC(=O)Cn3nccn3)nn2)C1 1107175067 AOFWMOFFYOKAAV-UHFFFAOYSA-N 316.369 -0.381 30 20 DBED C[C@H](CNc1nccnc1C#N)NC(=O)c1cc(=O)n(C)o1 1107697114 ADSQBOGFCGPCMZ-MRVPVSSYSA-N 302.294 -0.130 30 20 DBED C[C@@H](O)CN1CCO[C@@](C)(CNC(=O)CSCC#N)C1 1107754159 RUDWTODQHVWPTG-YPMHNXCESA-N 301.412 -0.169 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)COC2CCN(C)CC2)C1 1108309989 FKNSOQQLLGTVHX-KRWDZBQOSA-N 323.437 -0.063 30 20 DBED CN1C[C@@H](C(=O)NC[C@]2(C)CN(CC#N)CCO2)CCC1=O 1108422205 KPXNKHPYUWPXTG-SWLSCSKDSA-N 308.382 -0.415 30 20 DBED C=CCCC(=O)N[C@H]1CC(=O)N(C2CN([C@@H](C)C(=O)NC)C2)C1 1108520303 SAAPKRDAARKSFA-RYUDHWBXSA-N 322.409 -0.512 30 20 DBED C[C@@H](CNc1ccc(C#N)nn1)NC(=O)[C@H]1CCC(=O)NC1 1108776950 VAASSDOPJJNUEP-UWVGGRQHSA-N 302.338 -0.209 30 20 DBED C[C@H](CN(C)c1cncc(C#N)n1)NC(=O)[C@H]1CCCNC1=O 1109127924 CMXPWVDFFBVEMF-PWSUYJOCSA-N 316.365 -0.185 30 20 DBED C[C@@H]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCC#N)O1 1109738722 ZLDHKYIZXGWVFK-PEBLQZBPSA-N 320.393 -0.085 30 20 DBED C[C@H](C#N)C(=O)N[C@H](CNc1ccc2nnnn2n1)C1CC1 1109795486 FTRLRZGBTBNNCU-PSASIEDQSA-N 300.326 -0.014 30 20 DBED N#Cc1nc(=NC[C@H](NC(=O)c2nccnc2N)C2CC2)cc[nH]1 1109801007 BGPGXFSTMUPPPP-JTQLQIEISA-N 324.348 -0.237 30 20 DBED N#Cc1nccnc1NC[C@H](NC(=O)[C@H]1C[C@H]1C(N)=O)C1CC1 1109978471 SSAMTBFCJMYDIM-SCVCMEIPSA-N 314.349 -0.224 30 20 DBED CC(=O)N1CC(C(=O)NCC2(Nc3cnc(C#N)cn3)CC2)C1 1110113230 HFVJGWNDBHWQCE-UHFFFAOYSA-N 314.349 -0.113 30 20 DBED N#Cc1nccc(NC2(CNC(=O)[C@@H]3CCC(=O)NC3)CC2)n1 1110402631 WOAFZMWSNUHVTH-SNVBAGLBSA-N 314.349 -0.065 30 20 DBED C[C@@]1(NC(=O)Cc2nc[nH]n2)CCN(c2cncc(C#N)n2)C1 1110792231 ODFRHTXXXNXOHA-CQSZACIVSA-N 312.337 -0.206 30 20 DBED COCCC(=O)N(C)[C@H]1CN(c2ccc(C#N)nc2)C[C@@H]1O 1111167724 NPZPDWJJEDQFPI-KBPBESRZSA-N 304.350 -0.002 30 20 DBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cc1ncc[nH]1 1111181974 WLKKJRLSPUZFMB-UTUOFQBUSA-N 316.365 -0.687 30 20 DBED C[C@H]1CN(C(=O)CNC(N)=O)C[C@H]1Nc1ccc(C#N)nc1 1112306435 GGTPZHSMDTYWHG-JOYOIKCWSA-N 302.338 -0.120 30 20 DBED C[C@@H]1C[C@@H](NC(=O)CNC(N)=O)CCN1c1ccc(C#N)nn1 1112458227 YGDSDEHFYIJGDK-ZJUUUORDSA-N 317.353 -0.510 30 20 DBED C[C@@H](CNC(=O)c1nnn(C)n1)N(C)c1ccnc(C#N)n1 1113814696 JWEORAFDEJIERD-QMMMGPOBSA-N 301.314 -0.874 30 20 DBED C[C@@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)N(C)c1cnc(C#N)cn1 1113882462 WVXNKNVFXSASJU-GDPRMGEGSA-N 302.338 -0.589 30 20 DBED C=CCOCCN1C[C@H]2[C@H](NC(=O)[C@@H]3CC(=O)N(C)C3)[C@H]2C1 1114357692 HSSSUDKQOXFTNE-CXTNEJHOSA-N 307.394 -0.286 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)CCCCNC(N)=O)[C@H]2C1 1114535455 IEINVJOUVAXPRB-NHAGDIPZSA-N 322.409 -0.479 30 20 DBED C=CCCC1(C(=O)NC2[C@@H]3CN(CC(=O)NC(N)=O)C[C@@H]23)CC1 1114794148 CSWHIMJZPUXWLW-GHMZBOCLSA-N 320.393 -0.026 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)c3cccnn3)[C@H]2C1 1115008241 XKBNBQQCLNQFCX-SRVKXCTJSA-N 315.377 -0.173 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)C(C)(C)CCOC)[C@H]2C1 1115056336 YZAAPHDDVWXBIT-NHAGDIPZSA-N 321.421 -0.155 30 20 DBED C=CCCCN1C[C@H]2[C@H](NC(=O)[C@@H]3CCS(=O)(=O)N3)[C@H]2C1 1115247521 GAQCMEFPDCBWHM-QNWHQSFQSA-N 313.423 -0.309 30 20 DBED C[C@H](CN(C)C(=O)CCNC(N)=O)Nc1ccc(C#N)nn1 1115727224 HBUZESSAWNPODQ-SECBINFHSA-N 305.342 -0.335 30 20 DBED CC(=O)OC1CCN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)CC1 1118184850 MKEOENMIZIEVKJ-OAHLLOKOSA-N 323.349 -0.582 30 20 DBED C[C@@H](CNC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1)C(=O)O 1119294034 KRPRCARGBPBGBV-ONGXEEELSA-N 308.338 -0.978 30 20 DBED CCCOCC(=O)NC[C@H](CO)Nc1nc(C)cc(C#N)n1 1121277436 BYBOYMKRICWMIX-GFCCVEGCSA-N 307.354 -0.028 30 20 DBED CN1CCOC[C@H]1C(=O)NC[C@@H](CO)Nc1ccc(C#N)nc1 1121346069 JTVVMJIUGMYMIL-KBPBESRZSA-N 319.365 -0.827 30 20 DBED C=CCCOCC(=O)NC[C@@H](CO)Nc1ncnc2[nH]cnc12 1121749633 RDELUDHFQHTJPW-JTQLQIEISA-N 320.353 -0.165 30 20 DBED COC[C@@H](C)CC(=O)NC[C@H](CO)N=c1cc[nH]cc1C#N 1121984568 JFQNOKNTBYUXAY-WCQYABFASA-N 306.366 -0.063 30 20 DBED N#Cc1nccnc1N[C@@H](CO)CNC(=O)Cc1cnoc1 1122391325 NYBXRHYIKXSIEL-SNVBAGLBSA-N 302.294 -0.532 30 20 DBED CNC(=O)CC(=O)N1CC[C@@H](N=c2cc[nH]cc2C#N)[C@H]1C 1122973236 YMMCWTQKEZWHFV-ZYHUDNBSSA-N 301.350 -0.087 30 20 DBED CNC(=O)NCC(=O)N1C[C@H](Nc2cnc(C#N)cn2)C[C@@H]1C 1123322437 ZEHLPEGMUFNCGC-VHSXEESVSA-N 317.353 -0.321 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)[C@@H](C)OCC 1123974293 KLJSLWZJPNRZQK-WDEREUQCSA-N 314.386 -0.483 30 20 DBED Cc1cc(C(=O)N(C)C[C@@H](O)CNc2cnc(C#N)cn2)n[nH]1 1124097001 OVNOYVGJRNLRDI-NSHDSACASA-N 315.337 -0.075 30 20 DBED CN(C[C@@H](O)CNc1nccnc1C#N)C(=O)C1=CCOCC1 1124256780 OKZNMPPDTRGPBQ-LBPRGKRZSA-N 317.349 -0.074 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)CC1(O)CCC1 1124283089 DZBRGXGPSSBYRB-NSHDSACASA-N 319.365 -0.694 30 20 DBED CC[C@H](C(=O)N(C)C[C@@H](O)CN=c1cc[nH]cc1C#N)N(C)C 1124456706 YWZJAGOCVHCQMT-DZGCQCFKSA-N 319.409 -0.053 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)c1[nH]ccc1C 1126518783 MHNZOZQAVLUBSA-UHFFFAOYSA-N 307.354 -0.346 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1c(Cl)cnn1C 1127458781 OYZHCCDEAUCLGJ-SECBINFHSA-N 311.773 -0.469 30 20 DBED C#CCNCc1nnc2n1CC[C@@H](NC(=O)CCN(C)C)CC2 1128033431 WJHDPLOYRZORGM-ZDUSSCGKSA-N 318.425 -0.226 30 20 DBED CCNC(=O)CCC(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1 1128816329 INKKNYUVLXNMPM-NEPJUHHUSA-N 319.369 -0.941 30 20 DBED C=CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H](COC)OC)C1 1129243742 UTJBRFKRKCFFII-HZSPNIEDSA-N 323.397 -0.143 30 20 DBED COC[C@@H](C)CC(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1 1129359645 KURGOFUOUDAFPW-XQQFMLRXSA-N 306.370 -0.184 30 20 DBED CC#CCN[C@@H]1CN(C(=O)C2=COCCO2)C[C@@H]1n1ccnn1 1129547995 WVLQLXKRXAUHJO-OLZOCXBDSA-N 317.349 -0.469 30 20 DBED CC#CCN1C[C@H]2C[C@@H]3CN(C(=O)CNC(=O)OC)C[C@@]3(C1)O2 1131190347 GUGZVGXQWYOOBU-XJKCOSOUSA-N 321.377 -0.333 30 20 DBED CNC(=O)NC(=O)CN1C[C@H](NC(=O)C#CC2CC2)CC[C@@H]1C 1132047447 XKBHFQNOXVBGDL-WCQYABFASA-N 320.393 -0.176 30 20 DBED CC#CCNC[C@H]1CN(C(=O)CN2CCOCC2=O)CC[C@@H]1C 1132900792 HMCKYSMFHUVYKJ-GJZGRUSLSA-N 321.421 -0.057 30 20 DBED C[C@@H](C[C@@H](C)NCC(=O)NCC#N)NC(=O)c1cc[n+]([O-])cc1 1133636973 QBTYMHOAEIYGGP-NEPJUHHUSA-N 319.365 -0.554 30 20 DBED C=CCn1cc(C(=O)NCCNCCNC(=O)C2CC2)nn1 1134973604 YUYUYEZEYYIVEZ-UHFFFAOYSA-N 306.370 -0.690 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cnc2c(cnn2C)c1 1135787455 KXARAXLGVOGOLG-UHFFFAOYSA-N 314.349 -0.963 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)c1ccn(C)c1)C2 1147329044 LXRYLUDVGZMRKV-UHFFFAOYSA-N 314.389 -0.078 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)CCc1cnn[nH]1 1155325990 OTJSVUXPOWSVSV-LLVKDONJSA-N 321.385 -0.796 30 20 DBED C=CCN(C)C[C@H]1CCCCN1C(=O)CN1CCNC(=O)C1 1158316956 XTGBBYQFIKBCMH-CQSZACIVSA-N 308.426 -0.083 30 20 DBED Cn1cncc1[C@@H]1C[C@H]1C(=O)NCCCNCC(=O)NCC#N 1166960488 HLSPGFPKBPIKHA-VXGBXAGGSA-N 318.381 -0.741 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)NCCCNCC(=O)N1CCC1 1167684881 MYZLDDLJIIGQOM-CQSZACIVSA-N 324.425 -0.215 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NCCCN[C@@H]1CCCNC1=O 1167685503 UZNLPWIJCKGOCM-KGLIPLIRSA-N 324.425 -0.168 30 20 DBED CC#CCNCC1(CCNC(=O)CC[C@H]2NC(=O)NC2=O)CC1 1168052014 JNHFMCIIGMTDOS-GFCCVEGCSA-N 320.393 -0.126 30 20 DBED COCC#CCNCCCNC(=O)C1CCN(C(C)=O)CC1 1175696208 YLDGWIRIBKULAM-UHFFFAOYSA-N 309.410 -0.009 30 20 DBED C#CCNCCCC[C@@H](C)NC(=O)CC[C@H]1NC(=O)NC1=O 1176487899 XKHZSLGOBBWBKZ-VXGBXAGGSA-N 308.382 -0.128 30 20 DBED C[C@@H](CCCCNCC#N)NC(=O)CNC(=O)Cn1cncn1 1176738151 PDHPIBZNEXZIMI-LBPRGKRZSA-N 321.385 -0.818 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1cnn(C)c1C1CC1 1177423020 JFQWIEJNRNEIJT-UHFFFAOYSA-N 317.393 -0.244 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2cnn(CC)c2)C1 1181716048 AFTXNTWDJHGWIJ-GXTWGEPZSA-N 317.393 -0.155 30 20 DBED CCCNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)C#CC2CC2)C1 1182389125 PSUASJVZHWYUMR-CYBMUJFWSA-N 320.393 -0.174 30 20 DBED CCN1C[C@H](C(=O)N2CC[C@@H](NCC#CCOC)C2)CC1=O 1182981086 CZGANPGYLVJJSQ-ZIAGYGMSSA-N 307.394 -0.305 30 20 DBED C=C(C)CN[C@@H]1CCN(C(=O)CS(=O)(=O)CCOC)C1 1183701121 RVBLHZNARRWHNF-GFCCVEGCSA-N 304.412 -0.186 30 20 DBED COCC#CCNC[C@@H]1CCN(C(=O)c2nnn(C)n2)C[C@@H]1C 1184956813 TUWLQFSATZCCQR-STQMWFEESA-N 320.397 -0.452 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)c2cccnc2C(N)=O)C1 1188024315 CKVAAZYGPPUGII-GFCCVEGCSA-N 316.361 -0.366 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)C[C@@H]2CCNC2=O)C1 1190622173 NWTGKZUBQSCLQY-STQMWFEESA-N 322.409 -0.653 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)c2cncs2)C1 1191361818 DFTFIUMNADGNME-HBNTYKKESA-N 322.390 -0.944 30 20 DBED C=CCCC(=O)N[C@@H]1CN(CC(=O)NCC(F)(F)F)C[C@H]1O 1191622604 SMHCBYPTGGSIRF-NXEZZACHSA-N 323.315 -0.208 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CN(Cc2nc(C3CC3)n[nH]2)C[C@H]1O 1191863887 JPFQVLPHEBHJHD-FBIMIBRVSA-N 304.354 -0.497 30 20 DBED C=CCNC(=O)[C@H](C)N(C)[C@@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 1192072745 KDTBOTAZVYYUSY-NWDGAFQWSA-N 322.409 -0.525 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)c2cnns2)CC1 1194971041 PZGRATSZKIXWNQ-UHFFFAOYSA-N 307.379 -0.565 30 20 DBED N#CCNC[C@@H]1CN(C(=O)COC2CCOCC2)CCCO1 1201532835 HSPXJIOWGMZOPY-CQSZACIVSA-N 311.382 -0.087 30 20 DBED COCC#CCN[C@H]1C[C@@H](NC(=O)C2(C(N)=O)CC2)C12CCC2 1203339824 KCGHLAJVEKGZMW-QWHCGFSZSA-N 319.405 -0.081 30 20 DBED C=CCCN1C[C@@H](NC(=O)CNS(=O)(=O)CC)[C@H](C)C1 1207290239 WUZJSQDEQMGHMY-VXGBXAGGSA-N 303.428 -0.062 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCCN(C(=O)c2cnn(C)n2)C1 1210117475 ZOQQAJYYMSIOAU-NWDGAFQWSA-N 318.381 -0.853 30 20 DBED CO[C@@H]1CN(Cc2nc(N(C)C)no2)C[C@H]1NC(=O)[C@H](C)C#N 1212039075 FFVYIDBSZSOMTM-GMTAPVOTSA-N 322.369 -0.389 30 20 DBED C#CCCCCC(=O)N[C@@H]1CN(CC(=O)NCCC)C[C@@H]1O 1219482368 YBDLLSJKHBXEME-KGLIPLIRSA-N 309.410 -0.133 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(CC(=O)NC(C)(C)C)C[C@@H]1O 1219581094 GOLDNASWHIPWQV-OLZOCXBDSA-N 309.410 -0.278 30 20 DBED C=CCCCN1C[C@H](O)[C@H](NC(=O)Cn2ccc(O)nc2=O)C1 1219955393 XGLNULBPRUDFRD-NEPJUHHUSA-N 322.365 -0.924 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@H](CCC)OC)C1 1220122514 RBTQYLYMCRUISA-AGIUHOORSA-N 313.398 -0.735 30 20 DBED CC#CCCCC(=O)N[C@@H]1CN([C@H]2CCN(C)C2=O)C[C@@H]1O 1220186078 XBPDKLKVNFRHKZ-RDBSUJKOSA-N 307.394 -0.428 30 20 DBED C=CCC[C@H](C)N1C[C@H](O)[C@H](NC(=O)CCn2cnnn2)C1 1220603123 AIMOKYIPOIBMLQ-XQQFMLRXSA-N 308.386 -0.421 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)C[C@@H]2CCN(C)C2)C1 1220755385 NSFFJEPUWDEIFJ-ZNMIVQPWSA-N 311.426 -0.308 30 20 DBED C=CCNC(=O)CN1CC[C@@H]2CCN(C(=O)CC(N)=O)C[C@@H]21 1222479156 KEXOHOPRBRYWOL-NEPJUHHUSA-N 308.382 -0.913 30 20 DBED COCCCC(=O)NCC1CCN(CC(=O)NCC#N)CC1 1222486050 CHGHHEXUGJNAAD-UHFFFAOYSA-N 310.398 -0.119 30 20 DBED C#CCN1CCC(CNC(=O)CN2CCN(C)C(=O)C2)CC1 1223669561 UKFCOXIEBWWNHS-UHFFFAOYSA-N 306.410 -0.778 30 20 DBED COCC#CCN1CCC(NC(=O)CN2CCCNC2=O)CC1 1228156996 ZLGMMHVNAQEDHH-UHFFFAOYSA-N 322.409 -0.368 30 20 DBED C[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](C#N)C2)C[C@@H](C2CC2)O1 1261323114 WJMUUNOFJNPTBH-WXHSDQCUSA-N 307.350 -0.237 30 20 DBED N#CCCNC(=O)COC(=O)c1sccc1S(N)(=O)=O 1317725459 SOWMGPWZYWFZRX-UHFFFAOYSA-N 317.348 -0.418 30 20 DBED Cc1noc(C)c1C(=O)N[C@@H]1CCN(CC(=O)NCC#N)C1 1318312161 PJDDEZIARCMTDE-LLVKDONJSA-N 305.338 -0.265 30 20 DBED O=C(NCCN/C(O)=C1/N=CC=CC1=O)NC[C@@H](O)C1CC1 1318421149 IJMDEOZTNZTGJQ-LPJIALBHSA-N 308.338 -0.417 30 20 DBED CN1CCC(C#N)(NC(=O)c2coc(S(N)(=O)=O)c2)CC1 1319735421 SXQJOTFYGKELOZ-UHFFFAOYSA-N 312.351 -0.355 30 20 DBED N#CCCCS(=O)(=O)N1CCC(C(=O)NCCCO)CC1 1320625498 GWNRRJWMGJVMHS-UHFFFAOYSA-N 317.411 -0.169 30 20 DBED N#C[C@@]1(F)CCN(C(=O)C(=O)N[C@H]2CCc3n[nH]cc3C2)C1 1322176844 LQRJJAXBPXHGMP-HZMBPMFUSA-N 305.313 -0.153 30 20 DBED COCCN1CC[C@@H](NC(=O)C(=O)N2CC[C@@](F)(C#N)C2)C1 1322811941 QGDIERRFTPFOTM-BXUZGUMPSA-N 312.345 -0.713 30 20 DBED C=C(C)COCCNC(=O)C(=O)NCc1ccc(C(N)=O)nc1 1323890167 CFYFCDOMKDBPRL-UHFFFAOYSA-N 320.349 -0.494 30 20 DBED C=CCN(C)C(=O)C(=O)NC[C@H]1CCC[C@]12NC(=O)N(C)C2=O 1324219696 VXKHLGPKZPMBAF-BMIGLBTASA-N 322.365 -0.533 30 20 DBED Cc1nnc(COCC(=O)N[C@H]2CCCN(O)C2=O)s1 1327111753 DPVMBXFEFGGVOB-QMMMGPOBSA-N 300.340 -0.140 30 20 DBED C=C[C@H](C)ONC(=O)C(=O)c1cc(S(N)(=O)=O)cn1C 1329351922 ZBURXKSGZBNRSU-ZETCQYMHSA-N 301.324 -0.523 30 20 DBED CNC(=O)[C@H](C)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N 1330380064 PEKFFADBRYRHSC-QMMMGPOBSA-N 320.353 -0.301 30 20 DBED C#CC1CCN(C(=O)C(=O)N(C)CC(=O)N2CCOCC2)CC1 1332356538 RTMIUSHVGLOBBR-UHFFFAOYSA-N 321.377 -0.825 30 20 DBED C=CCNC(=O)Cn1nnnc1N1CCCN(CCC)C(=O)C1 1335436889 NOXBQVFAYFYPMU-UHFFFAOYSA-N 321.385 -0.576 30 20 DBED C=CCn1c(N2CCO[C@@H](C#N)C2)nnc1[C@]1(O)CCOC1 1339125405 UZSLQFZJRJLQNB-FZMZJTMJSA-N 305.338 -0.199 30 20 DBED C=CCn1c(N(C)C[C@H]2COCCO2)nnc1[C@@]1(O)CCOC1 1339245802 IKXJMCCAVOMUNL-SWLSCSKDSA-N 324.381 -0.076 30 20 DBED C=CCSCCNC(=O)C(=O)NCc1nnnn1CC1CC1 1341032932 XZQHAUMIENNHLH-UHFFFAOYSA-N 324.410 -0.265 30 20 DBED C[C@H]1CN2CCN1C[C@H]2C(=O)NCCNc1ncccc1C#N 1345679323 CKXRJNLQUBREAW-JSGCOSHPSA-N 314.393 -0.130 30 20 DBED COC[C@@]1(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CCNC1 1349108765 KDLJEKPBAPHMLI-RDRICISKSA-N 322.365 -0.745 30 20 DBED C#CCCCc1nnc(N2CCO[C@H](C(N)=O)C2)n1CCOC 1356193642 IQQLUGBRYPGGQG-LBPRGKRZSA-N 321.381 -0.429 30 20 DBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nn1cnnc1 1362553414 GPUUVUCSLVNMDM-VIFPVBQESA-N 320.334 -0.413 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N1CC[C@@H](c2nncn2C)C1 1365730553 QANLQQIBMIFMPH-WDEREUQCSA-N 312.399 -0.059 30 20 DBED CNC(=O)NCC(=O)NC1CN(Cc2ccc(C#N)s2)C1 1404753320 DKIJFMVHCITCIW-UHFFFAOYSA-N 307.379 -0.151 30 20 DBED C=C(Cl)CNC[C@@H](O)CNC(=O)c1ccoc1CC(N)=O 1406266375 KTYDJQSKMCRHKP-SECBINFHSA-N 315.757 -0.260 30 20 DBED CC[C@H](CNC(=O)Cn1cncn1)NC(=O)c1cc(C#N)c[nH]1 1409394820 NMZVBHVHJVPCAO-LLVKDONJSA-N 315.337 -0.197 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1cc(C2CC2)n(C)n1 1410123684 JWSMOTCQNKMMLS-KOLCDFICSA-N 319.365 -0.336 30 20 DBED CC1CC(C#N)(C(=O)NCC2(O)CCS(=O)(=O)CC2)C1 1412942527 WHEVGDQNGDJFLD-UHFFFAOYSA-N 300.380 -0.018 30 20 DBED Cc1nc(O)nc(O)c1CC(=O)N1CC(NC(=O)[C@H](C)C#N)C1 1416045313 FMJILJAPIHZEKD-SSDOTTSWSA-N 319.321 -0.775 30 20 DBED C=C(Cl)CNC[C@H](O)CN(C)C(=O)c1ccc(C(N)=O)[nH]1 1426036983 BCWHVUVTYNDKKP-VIFPVBQESA-N 314.773 -0.111 30 20 DBED C[C@]1(CNC(=O)NCCn2cc(C#N)c(O)nc2=O)CCCO1 1427093248 CYOKSUFHMAKZJG-CQSZACIVSA-N 321.337 -0.311 30 20 DBED Cc1ccn(CC(=O)N2CC(NC(=O)[C@H](C)C#N)C2)c(=O)c1 1430287181 DJTZSQYWCTZZDL-LLVKDONJSA-N 302.334 -0.357 30 20 DBED CCC(=O)NCC(=O)N1CC(CNC(=O)c2cc(C#N)c[nH]2)C1 1432403121 LMUJYBDWFAUMFA-UHFFFAOYSA-N 317.349 -0.399 30 20 DBED C=C(Br)CNC[C@@H](O)CNC(=O)[C@H](O)C(C)C 1438986334 SNOFGVVSTGKYJB-NXEZZACHSA-N 309.204 -0.021 30 20 DBED Cc1onc(CC(=O)N2CCC(C(=O)NCCO)CC2)c1C#N 1454265312 XMXIRAADXIDLHA-UHFFFAOYSA-N 320.349 -0.256 30 20 DBED CC(C)(O)C(C)(C)NC(=O)CCn1cc(C#N)c(O)nc1=O 1455020032 MHZGLEXZXYMMSP-UHFFFAOYSA-N 308.338 -0.124 30 20 DBED CCN(C(=O)[C@@H](C)C#N)[C@H](C)CNC(=O)C1(NC(N)=O)CC1 1488912944 AAJMEWKLZPNZAJ-VHSXEESVSA-N 309.370 -0.300 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@@H](NC(=O)c2coc(OC)n2)C1 1490553268 QLBHKBWXJGKIKX-GHMZBOCLSA-N 320.349 -0.375 30 20 DBED C#CCNC(=O)C1CCN(C(=O)N[C@@]2(C)CCOC2=O)CC1 1528363055 IUIZBIWUNYMLKK-HNNXBMFYSA-N 307.350 -0.137 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2[C@H]3CCNC[C@H]32)CC1 1574706565 DZRDDHQEFOYQRK-LZWOXQAQSA-N 318.421 -0.874 30 20 DBED N#Cc1ccc(NCCNC(=O)CCOCc2cnn[nH]2)nn1 1577718171 YHZYAJNAZHTXGG-UHFFFAOYSA-N 316.325 -0.399 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N[C@@H]2C[C@@H](N)C23CCC3)CCO1 1580042515 UXIARUGPVBQRMW-GMTAPVOTSA-N 300.384 -0.685 30 20 DBED C#C[C@@H](C)N(C)c1nnc(-c2cnc(-c3nn[nH]n3)cn2)n1C 1588326460 MHUUSNLQWBXUKU-MRVPVSSYSA-N 310.325 -0.090 30 20 DBED C#CC[C@@H](COC)NC(=O)C(=O)N1CC[C@H](C(=O)O)[C@H](C)C1 1588396559 XSBQBVKBYWJWMF-WOPDTQHZSA-N 310.350 -0.290 30 20 DBED C#CCN(CC(=O)O)c1nnnn1CCCN1CCCCC1=O 1588427354 UYPBLGCHEKSWID-UHFFFAOYSA-N 320.353 -0.400 30 20 DBED N#Cc1ccc([C@@H](O)CN2CCS(=O)(=O)C[C@H]2C(=O)O)cc1 1594618704 XBPCVHJIQJIQGG-STQMWFEESA-N 324.358 -0.225 30 20 DBED CN(CCN(C)c1ccc(C#N)nn1)C(=O)[C@@H]1C[C@H]1C(=O)O 1606126649 KHFXSNWUXINUSI-GHMZBOCLSA-N 303.322 -0.036 30 20 DBED N#Cc1ncn(CCNC(=O)NCC2(C(=O)O)CCOCC2)n1 1608225359 LZPOEYZGSDSLQO-UHFFFAOYSA-N 322.325 -0.670 30 20 DBED CCn1cc(C#N)c(=O)n(Cc2ccc(-c3nn[nH]n3)cn2)c1=O 1609258192 UZSBBEFWXZUHJJ-UHFFFAOYSA-N 324.304 -0.475 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N1CCC(OCC(N)=O)CC1 1645764070 CCMGIVPTPNQCNT-SNVBAGLBSA-N 318.399 -0.569 30 20 DBED CC(C)(C)NC(=O)CNC(=O)CN1CCN(CCC#N)CC1 1646127974 KRLQUQXDVQSJEO-UHFFFAOYSA-N 309.414 -0.451 30 20 DBED CCS(=O)(=O)C[C@@H](C)NC(=O)N1CC[C@@](O)(CC#N)C1 1647236228 QHMJGRRDRKKZSD-PWSUYJOCSA-N 303.384 -0.130 30 20 DBED C[C@@H](CCNC(=O)[C@]1(C)CCC(=O)NC1)NCC(=O)NCC#N 1700326218 NSNTXVVODNMDJV-XHDPSFHLSA-N 323.397 -0.973 30 20 DBED N#CCNC(=O)CN1CC[C@H](NC(=O)c2cc3c([nH]2)CCC3)C1 1713835232 LXWSPYSCGZWBCM-LBPRGKRZSA-N 315.377 -0.053 30 20 DBED CN(C(=O)[C@@H]1[C@H]2COC[C@H]21)C1CCN(CC(=O)NCC#N)CC1 1752304650 SZTYDDRPSKJYPU-NHAGDIPZSA-N 320.393 -0.559 30 20 DBED C#CCCN[C@@H](CNC(=O)CC[C@H]1NC(=O)NC1=O)C1CC1 1752493317 CRWJHADZCKUENT-NEPJUHHUSA-N 306.366 -0.518 30 20 DBED C#CCN1CCC(C(=O)N[C@H]2C[C@@H](NCC(=O)N(C)C)C2)CC1 1752775439 JWBLYKHPRFGJHC-GASCZTMLSA-N 320.437 -0.343 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@H]1CCCN1Cc1nc(=O)n(C)[nH]1 1753106350 WTTWKLUQLFUCSS-ABAIWWIYSA-N 323.397 -0.484 30 20 DBED C#CCN1CC[C@H](CNC(=O)[C@@H](NC(=O)COC)C(C)C)C1 1753136700 ZSAFEZYLJWWNDI-HIFRSBDPSA-N 309.410 -0.155 30 20 DBED C#CCNC[C@@H](O)CNC(=O)Cc1cc(OC)ccc1OC 1753914441 RVBALYURTKGWGY-CYBMUJFWSA-N 306.362 -0.054 30 20 DBED C[C@H](CCNCCCN1C(=O)CNC1=O)NC(=O)[C@H](C)C#N 1753953497 OFTXWTLCLIHFTN-GHMZBOCLSA-N 309.370 -0.428 30 20 DBED COCC#CCN(C)C[C@H](C)NC(=O)CN1CCC(=O)NC1=O 1754330942 PUGQZTZHSIVTIU-LBPRGKRZSA-N 324.381 -0.985 30 20 DBED CC#CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)CCn1cc[nH]c(=O)c1=O 1754428946 BPQXHHMBCVMBNB-MBNYWOFBSA-N 316.361 -0.861 30 20 DBED Cn1cc(Cl)c(C(=O)NC[C@H]2CCN2CC(=O)NCC#N)n1 1754482695 QWXWWWCJCBZHKA-SECBINFHSA-N 324.772 -0.483 30 20 DBED N#CCNC[C@H](NC(=O)C[C@H]1CC(=O)NC1=O)C1CCCC1 1754656712 UUUMQXSKDAVMJK-RYUDHWBXSA-N 306.366 -0.173 30 20 DBED C=CCOCCN1CC(O)(CNC(=O)c2cc(C)ncn2)C1 1754774895 ROKPEACLESIJPE-UHFFFAOYSA-N 306.366 -0.236 30 20 DBED C=CCCN1CC(O)(CNC(=O)c2cnn(CCN(C)C)c2)C1 1754776182 PGFZOQCGRJEQKP-UHFFFAOYSA-N 321.425 -0.203 30 20 DBED C=CCNC(=O)CNCC1(O)CCN(C(=O)c2cn[nH]c2)CC1 1755148421 UTLODDJEFMOPLE-UHFFFAOYSA-N 321.381 -0.731 30 20 DBED C=CCNC(=O)[C@H](C)NCC1CC(NC(=O)Cc2nc[nH]n2)C1 1755220150 NJLSURMNNIMXTA-UNXYVOJBSA-N 320.397 -0.478 30 20 DBED N#CCNC(=O)CN1C[C@@H]2C(CNC(=O)[C@@H]3CC34CC4)[C@H]2C1 1755429874 MAKKOCMESQCUKI-UPJWGTAASA-N 302.378 -0.280 30 20 DBED C#CCCN[C@H](C)[C@@H]1CN(C(=O)c2ccc(=O)n(C)n2)CCO1 1755447416 FTXLMWOYZAMOSF-OCCSQVGLSA-N 318.377 -0.377 30 20 DBED NC(=O)CC(=O)NC[C@@H](CO)NCC#Cc1ccccc1Cl 1755623310 SSZNREYIIANNTR-LBPRGKRZSA-N 323.780 -0.366 30 20 DBED C#CCNC[C@H](O)CN(C)C(=O)c1cnn(-c2ccccn2)c1 1755789515 OMKIWVMDWXHULM-AWEZNQCLSA-N 313.361 -0.077 30 20 DBED CNC(=O)C1(C(=O)N[C@H](C)[C@H](C)NC(=O)C#CC2CC2)CC1 1755970424 NZEIDJPZBDKDPR-WDEREUQCSA-N 305.378 -0.065 30 20 DBED COC(=O)NCC(=O)N(C)[C@H](C)CNC(=O)CSCC#N 1756005436 IVOUCXYTNFZDOW-SECBINFHSA-N 316.383 -0.438 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H](CO)CNC(=O)C1=CCOCC1 1756513372 GEOVSQGQXMMYDS-DOMZBBRYSA-N 312.366 -0.747 30 20 DBED C=C[C@@](C)(O)CC(=O)N(C)C[C@@H](O)CNC(=O)Cc1ncc[nH]1 1756661305 WMQSQPHKJWMUEL-XHDPSFHLSA-N 324.381 -0.785 30 20 DBED O=C(O)C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CCCO1 1796341393 BOSZHROZIUBJSN-YVECIDJPSA-N 320.345 -0.108 30 20 DBED CCC(=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C#CC(=O)O)C2 1801627814 MFAMLSMWBZTXAK-JGPRNRPPSA-N 306.318 -0.308 30 20 DBED COC(=O)NCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CC#N)C2 1802701915 YGWSLYNYJZSJGV-JGPRNRPPSA-N 308.338 -0.106 30 20 DBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1C[C@@H]1F)CCO2 1839771542 MECHYWLMIHWNNG-HUBLWGQQSA-N 310.325 -0.566 30 20 DBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)CCOC)C2)C1 1839807087 SNCCRIFVRCFNBW-OAHLLOKOSA-N 310.350 -0.888 30 20 DBED N#CCC(=O)N1CC2(CCCN2C(=O)Cn2ccccc2=O)C1 1843035508 XDTOEGYNQMWLAJ-UHFFFAOYSA-N 314.345 -0.035 30 20 DBED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN 1847263184 GVBJTVPENMIDDK-WGPFEIJOSA-N 306.366 -0.995 30 20 DBED CCNC(=O)CN1CCN([C@H](C)C(=O)N(C)CCC#N)CC1 74160948 XYXGWRMMGSZIAG-CYBMUJFWSA-N 309.414 -0.499 30 20 DBED CC(C)N1CCO[C@@H](CN2CCN(CC(=O)NCC#N)CC2)C1 108867507 AWOSQHAFLSBNQR-HNNXBMFYSA-N 323.441 -0.647 30 20 DBED N#C[C@H]1COCCN1C(=O)CN1CCN(c2ccccn2)CC1 175895508 ROSXIUGUKOOVBR-AWEZNQCLSA-N 315.377 -0.045 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)c2ccc(O)cc2)CC1 177177649 ZGYOYNGBGXJXFB-UHFFFAOYSA-N 302.334 -0.210 30 20 DBED COCC/N=C(\N)NCCNS(=O)(=O)c1ccc(C)s1 178767230 LKANGYGXHNRFLA-UHFFFAOYSA-N 320.440 -0.114 30 20 DBED C[C@H]1C[C@H](C(=O)O)CN(c2c(C#N)c(=O)n(C)c(=O)n2C)C1 263181170 KHJNBSUYGWRMKH-IUCAKERBSA-N 306.322 -0.497 30 20 DBED N#Cc1cc(F)ccc1S(=O)(=O)N1CCO[C@@H](C(N)=O)C1 268250066 GYMFNOMDKBDZKF-SNVBAGLBSA-N 313.310 -0.428 30 20 DBED C[C@@H]1CN(C[C@H](O)COc2ccc(C#N)cc2)C[C@@H](C(N)=O)O1 268402248 AZVGRDHIJGSAJP-ZLDLUXBVSA-N 319.361 -0.127 30 20 DBED COC[C@@H](O)CCNC(=O)CNC(=O)c1ccc(C#N)cc1 270872294 UMLYWJHYSLZIFN-ZDUSSCGKSA-N 305.334 -0.198 30 20 DBED C#CCNC(=O)CN1CCN(c2ncc([N+](=O)[O-])cn2)CC1 273633432 QUSQJYNZGCVGKZ-UHFFFAOYSA-N 304.310 -0.744 30 20 DBED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H](O)C2)cc1 298788145 KZIHQNAYNIRXMS-LBPRGKRZSA-N 323.374 -0.180 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCCN(C)C2CC2)C1=O 299620766 ZTUKKQDMJXYJNY-UHFFFAOYSA-N 308.338 -0.826 30 20 DBED C[C@@H]1CN(/C(O)=N/CCn2cncn2)C[C@@H](C)S1(=O)=O 329594459 HVKKOMNPNWFGMG-NXEZZACHSA-N 301.372 -0.301 30 20 DBED CN1C[C@@H](/N=C(/O)N2CCS(=O)(=O)C(C)(C)C2)CC1=O 329693799 FEPRNFOCLYFGIU-VIFPVBQESA-N 303.384 -0.360 30 20 DBED O=S1(=O)CCC[C@H](/N=C(/O)N2CCN3CCOC[C@H]3C2)C1 329777451 KLTONVAIONXVPF-NWDGAFQWSA-N 317.411 -0.506 30 20 DBED C=CCN(C(=O)CN(C)S(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 330473239 QDXVBMLHMNNTMI-JTQLQIEISA-N 324.424 -0.921 30 20 DBED CNS(=O)(=O)CC/N=C(/O)N[C@@H](C)C1=CCN(C)CC1 331258187 FHMYLXJZBFWVLM-JTQLQIEISA-N 304.416 -0.310 30 20 DBED CCN(CC)C[C@H](C)NS(=O)(=O)N1CCO[C@@H](C#N)C1 337188600 QLGHBAOMTMKJPB-RYUDHWBXSA-N 304.416 -0.225 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)NCC1CCN(CCO)CC1 337997986 QLYBURIFMNBJNA-LBPRGKRZSA-N 318.443 -0.241 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCCN(C)[C@H]2C)C1=O 343459069 WIPDJTUWHWKBFU-WDEREUQCSA-N 322.365 -0.438 30 20 DBED C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NCC(=O)NCC#N 344147551 CVEOAJCALVEJDS-SNVBAGLBSA-N 324.362 -0.891 30 20 DBED C=CCNC(=O)NC(=O)CN(C1CC1)[C@H]1CCS(=O)(=O)C1 346031575 VZVXLRFNZDJEIQ-NSHDSACASA-N 315.395 -0.350 30 20 DBED C[C@@H](NC(=O)NCC(=O)NCC#N)[C@H](O)Cc1ccccc1 358280169 SYXUZPBVAXXESH-DGCLKSJQSA-N 304.350 -0.083 30 20 DBED CCCC(=O)NC[C@@H]1CCCN(C(=O)NCC(=O)NCC#N)C1 358282339 WNWUKOUOBKOELE-LBPRGKRZSA-N 323.397 -0.036 30 20 DBED Cn1ncc2c(O)c(C(=O)N3CCN(CC#N)CC3)cnc21 358338502 DQIWOFYQQQREFC-UHFFFAOYSA-N 300.322 -0.045 30 20 DBED C=CCN1CCC(NC(=O)C(=O)N2C[C@H](C)NC[C@H]2C)CC1 419702821 CBPFTQDMJTZIHH-QWHCGFSZSA-N 308.426 -0.038 30 20 DBED C[C@@H]1CC[C@@H](C(=O)O)CN1S(=O)(=O)N1CCO[C@H](C#N)C1 424383006 AGEXJGSDKKYURH-GMTAPVOTSA-N 317.367 -0.359 30 20 DBED N#Cc1ncn(CC(=O)N2CCS(=O)(=O)[C@@H]3CCCC[C@H]32)n1 426875838 QCUQOKYKQQUHPL-GHMZBOCLSA-N 323.378 -0.282 30 20 DBED N#Cc1ccc(NCC(=O)NC[C@H](CO)[C@@H]2CCOC2)nc1 435923445 OUWIZJGKJAGYEQ-CHWSQXEVSA-N 304.350 0.126 30 20 DBED CCOC(=O)[C@](C)(O)CNC(=O)C(=O)Nc1ccc(C#N)cc1 441368526 BJWNPXZOGKOFMQ-OAHLLOKOSA-N 319.317 -0.073 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)Cc2cncn2C)CC1 491046349 QDSUTDAABDGTMR-UHFFFAOYSA-N 317.393 -0.754 30 20 DBED C#CCNC(=O)CN1CCN([C@@H](C)c2nccc(N)n2)CC1 491566923 IVKFXGAJOOCWRH-LBPRGKRZSA-N 302.382 -0.513 30 20 DBED COc1cc(CCNC(=O)NCC(=O)NCC#N)ccc1O 588746644 DHYPCUYKDMWRGH-UHFFFAOYSA-N 306.322 -0.118 30 20 DBED CN(C)S(=O)(=O)NCCNC(=O)Nc1cccc(C#N)n1 592263160 ACNXSLAOABCKGY-UHFFFAOYSA-N 312.355 -0.529 30 20 DBED N#C[C@@H]1CN(C(=O)[C@H](CO)NC(=O)c2ccc(F)cc2)CCO1 593453187 RTHRZTIJPHYTPC-OLZOCXBDSA-N 321.308 -0.333 30 20 DBED CC(C)[C@H]1CN(S(=O)(=O)N2CCO[C@H](C#N)C2)CCN1 595411951 JLUCWBPNJVOVSL-VXGBXAGGSA-N 302.400 -0.615 30 20 DBED COC(=O)[C@@](C)(CO)NCC(=O)NCc1ccc(C#N)cc1 595527112 NJVVAULLPXDONS-OAHLLOKOSA-N 305.334 -0.312 30 20 DBED N#C[C@@]1(C(=O)NCCOCCS(N)(=O)=O)CC12CCCC2 598734679 JTOOBSDHTVFQRN-CYBMUJFWSA-N 315.395 -0.118 30 20 DBED CS(=O)(=O)NC1CN(Cc2cnc3c(C#N)cnn3c2)C1 600190640 RBACYTBIUHJKBT-UHFFFAOYSA-N 306.351 -0.666 30 20 DBED N#Cc1ccc(OC[C@@H](O)CNCCN2CC[C@@H](O)C2)cc1 600759441 QIGVQPSSANUNCD-CABCVRRESA-N 305.378 -0.046 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@H](CC)OC[C@H]2C)C1=O 650480709 HSXAVCBTYRRSKQ-MNOVXSKESA-N 323.349 -0.011 30 20 DBED CCN1CCN(C(=O)C(=O)Nc2cnn(CC#N)c2)C[C@H]1C 754509869 FFEOPRMNZLQGBN-LLVKDONJSA-N 304.354 -0.102 30 20 DBED CCN1CCN(CC(=O)OCc2ccnc(C#N)c2)C(=O)C1=O 754719123 MOVOCLOJJDBHNG-UHFFFAOYSA-N 316.317 -0.313 30 20 DBED CC(=O)N1CCOC[C@@H]1C(=O)NCCNc1ncccc1C#N 763999320 FIBZHCACVZPVOW-CYBMUJFWSA-N 317.349 -0.271 30 20 DBED CN1CCC2(CC1)NC(=O)N(CN1CCSC[C@H]1C#N)C2=O 774642462 IXXNPEFROCOPDG-LLVKDONJSA-N 323.422 -0.099 30 20 DBED C=CC[C@H](CO)CNS(=O)(=O)N1CCC2(CC1)OCCO2 774790472 VISFMMBJNAUUPB-LBPRGKRZSA-N 320.411 -0.156 30 20 DBED C#CCNS(=O)(=O)N1CCN(CC(=O)OC(C)(C)C)CC1 778951461 RQVIGNZWXMZCLQ-UHFFFAOYSA-N 317.411 -0.587 30 20 DBED NC(=O)CNC(=S)NN=CC1CCC2(CC1)OCCO2 788715582 LWUZLFCHIRZVTI-UHFFFAOYSA-N 300.384 -0.145 30 20 DBED C#CCC[C@H](O)CNC(=O)NCCS(=O)(=O)NC(C)(C)C 798367182 WWBNGFOLELWQIA-NSHDSACASA-N 319.427 -0.222 30 20 DBED C[C@@](C#N)(CC(=O)O)C(=O)NC1CCC(C(=O)NC(N)=O)CC1 819822277 NMFSBSHBZMXWLI-CTCYHXBNSA-N 324.337 -0.139 30 20 DBED CNS(=O)(=O)[C@@H]1CCN(C(=O)[C@](C)(C#N)CC(=O)O)C1 820641699 XXRXWKDJVHADDJ-KCJUWKMLSA-N 303.340 -0.859 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)Cc2ccco2)CC1 831565355 QMFMFQOLKHOUEB-UHFFFAOYSA-N 311.363 -0.566 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CC[C@H](N2CCOC2=O)C1 849437085 CNCANABRTPXIKJ-NSHDSACASA-N 316.383 -0.007 30 20 DBED C#CCCOC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 858931646 XIHOVDVDWBEIMA-VXGBXAGGSA-N 316.379 -0.766 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N(C)CCS(C)(=O)=O 875599534 KDQGQXUHLHGHCR-NSHDSACASA-N 318.395 -0.966 30 20 DBED Cc1cnn([C@@H]2CCCNC2)c1C(=O)N[C@H]1CNC[C@@H]1C#N 876801827 JJXDVQGBOHLYEO-XQQFMLRXSA-N 302.382 -0.043 30 20 DBED C#CC1(O)CN(C(=O)C(=O)N2CCN(c3ccccc3)CC2)C1 890525776 JMHGYEUODWVSHO-UHFFFAOYSA-N 313.357 -0.458 30 20 DBED C[C@@H](C(=O)N[C@H]1CCN(C(=O)C#CC2CC2)C1)n1cncn1 937848822 MQUNBCLRVJLLDF-AAEUAGOBSA-N 301.350 -0.030 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2cn(C)nn2)C1 937905584 SMUYEXAUWRCMFE-LOWVWBTDSA-N 319.365 -0.263 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCN(C(=O)[C@@H](C)OC)C2)nn1 940505189 WVVAWIJSKMHCLD-GHMZBOCLSA-N 307.354 -0.170 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)C(C)(C)C(N)=O)C1 942452046 YPYMGSHETAFWKY-UTUOFQBUSA-N 323.393 -0.194 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H]2CC[C@H](NC(=O)C(N)=O)CC2)c1 943668206 VGZYPCROXGGDHJ-MGCOHNPYSA-N 303.322 -0.471 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H]1CNC(=O)c1cnn(C)c1N 944249483 OVGBRPFZCYLLFJ-NXEZZACHSA-N 304.354 -0.117 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)C2CC2)CCO1 944646563 JGMQSACDHIBKAX-CABCVRRESA-N 319.405 -0.162 30 20 DBED CO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1NC(=O)c1n[nH]cc1F 946601584 RMORRPYJNKWDBN-FXBDTBDDSA-N 309.301 -0.336 30 20 DBED CC#CCN1CC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C[C@@H]1C 947323254 JGFVIQQZZTZGRQ-NWDGAFQWSA-N 318.381 -0.631 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@@H]2CNC(=O)c2nnn(C)n2)cc1 951629493 NYNIQYBUSKCSPT-CYBMUJFWSA-N 324.344 -0.164 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H](NC(=O)c2ccc(=O)n(C)n2)C1 951873056 SJAYZKQEXQSGTQ-GHMZBOCLSA-N 317.349 -0.339 30 20 DBED N#Cc1ccc(C(=O)N2C[C@@H]3CCC[C@H](C2)N3C(=O)C(N)=O)[nH]1 952700618 SCABYJBLNONXFL-PHIMTYICSA-N 315.333 -0.423 30 20 DBED CN1C[C@H](C(=O)N(C)C2CN(C(=O)C#CC3CC3)C2)CCC1=O 954505134 FRXZNGOKONRGSK-CYBMUJFWSA-N 317.389 -0.063 30 20 DBED C=CCOc1cccnc1C(=O)N(C)C1CN(C(=O)C(N)=O)C1 955389633 NSKKJXJSJCUAGJ-UHFFFAOYSA-N 318.333 -0.586 30 20 DBED C=C(C)CN1C[C@H](CNC(=O)c2cnc3[nH]nnc3c2)[C@@H](O)C1 958149109 NTOYIRFOBCSWLX-AAEUAGOBSA-N 316.365 -0.049 30 20 DBED N#Cc1cc(C(=O)N2C[C@H]3C[C@H](NC(=O)C(N)=O)C[C@H]2C3)c[nH]1 958149538 SIAWOBPPQZEZOQ-PTOFAABTSA-N 315.333 -0.519 30 20 DBED C=CCN1C[C@H](O)[C@H](CNC(=O)c2cn(C)c(C)cc2=O)C1 958153093 RWZKYBLOVMVEQT-DOMZBBRYSA-N 305.378 -0.098 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cc(=O)c(OC)co2)C1 958264409 WSLYWEGBYQZWJT-CMPLNLGQSA-N 306.318 -0.696 30 20 DBED CO[C@@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C#N)c[nH]2)C1 958798309 DHWNNMGMVPHAKP-XDTLVQLUSA-N 320.349 -0.435 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C2=CCOCC2)C1 958830415 SWVRJPACONDPKY-DRZSPHRISA-N 307.350 -0.477 30 20 DBED C#Cc1cncc(C(=O)NC2[C@H]3CN(Cc4nc(O)n[nH]4)C[C@H]23)c1 961723146 QNRZIESCCMJMFE-RYUDHWBXSA-N 324.344 -0.253 30 20 DBED C[C@H]1CN(C(=O)c2cnn[nH]2)C[C@@H]1NC(=O)c1ccc(C#N)[nH]1 966570658 IJWLXOYBINVKJQ-UFBFGSQYSA-N 313.321 -0.105 30 20 DBED CC#CCN1CC[C@@H](C)[C@@H](NC(=O)c2cnc(O)n(C)c2=O)C1 967702883 WQCYQHASNRBABS-YPMHNXCESA-N 318.377 -0.051 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CCN(C)C1=O 969662453 XUMFFGVLRSMHCI-NDBYEHHHSA-N 318.377 -0.174 30 20 DBED CC#CCN1CCO[C@@]2(CCN(C(=O)c3cc(=O)n(C)o3)C2)C1 972351318 DTYMNIHICNNPCZ-INIZCTEOSA-N 319.361 -0.082 30 20 DBED N#CCN1C[C@H]2[C@H](CNC(=O)[C@H]3CCCCS3(=O)=O)[C@H]2C1 978254525 WYFRQHCNFRPJRR-FVCCEPFGSA-N 311.407 -0.229 30 20 DBED Cc1nn(C)c(=O)c(C(=O)NC[C@H]2[C@@H]3CN(CC#N)C[C@H]23)c1C 978570407 YMHVTNMXVHMOLG-XYYAHUGASA-N 315.377 -0.172 30 20 DBED C=CCCN1C[C@H]2C(CNC(=O)c3cnc(O)n(C)c3=O)[C@@H]2C1 978599429 QUTNUYWQMKHADF-STQMWFEESA-N 318.377 -0.030 30 20 DBED C#CCCN1CC[C@@]2(NC(=O)C[C@@H]3NC(=O)NC3=O)CCC[C@H]12 991100109 MMJXASPSQYNUGQ-MKBNYLNASA-N 318.377 -0.279 30 20 DBED O=C(N[C@@H]1CCN(C(=O)C#CC2CC2)C[C@H]1O)c1cnon1 991701087 IXVMOIOUSVBBJE-ZYHUDNBSSA-N 304.306 -0.825 30 20 DBED N#Cc1c[nH]c(C(=O)NCC2CC(NC(=O)c3cnn[nH]3)C2)c1 992007912 FREQGYPOBWVCKP-UHFFFAOYSA-N 313.321 -0.057 30 20 DBED Cn1cc(C(=O)N[C@]23CCC[C@H]2N(CC#N)CC3)n(C)c1=O 992526047 LQERQDPWAGPIOP-DOMZBBRYSA-N 303.366 -0.026 30 20 DBED C#CCCN1CCC[C@H](NC(=O)c2nnc(O)nc2O)[C@@H]1C 993554926 WCFSHFIELALEHO-UWVGGRQHSA-N 305.338 -0.111 30 20 DBED C=C1CC(C)(C(=O)N2CC(NC(=O)CN3CC(=O)NC3=O)C2)C1 997767849 ABVJFYMRJMDUDG-UHFFFAOYSA-N 320.349 -0.779 30 20 DBED Cc1nc(O)nc(O)c1CC(=O)N(C)C1CC(NCC#N)C1 999598342 BNEFTZBSLKEHLC-UHFFFAOYSA-N 305.338 -0.159 30 20 DBED C[C@@]1(C(=O)NC2CN(C(=O)c3c[nH]c(C#N)c3)C2)CCNC1=O 999791555 FGWAOSNPCYSAFV-OAHLLOKOSA-N 315.333 -0.647 30 20 DBED CC1(C)CN(C(=O)C#CC2CC2)C[C@@H]1NC(=O)[C@@H]1CCNC1=O 1008402547 RJIWFDISMJXIDT-OLZOCXBDSA-N 317.389 -0.111 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2C(CNC(=O)c3nccnc3N)[C@@H]2C1 1008902397 TUOKCGYIPJOSRP-MIMYLULJSA-N 314.349 -0.347 30 20 DBED COCC(=O)N1C[C@@H]2C(CNC(=O)c3cc(C#N)c[nH]3)[C@H]2C1 1008903174 HZZYTEJUEUWSOY-VXGBXAGGSA-N 302.334 -0.033 30 20 DBED O=C(C#CC1CC1)N1CCN(C(=O)CCN2CCOCC2)CC1 1011108299 PHUPARNUAPBUNV-UHFFFAOYSA-N 319.405 -0.207 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2C(NC(=O)c3c[nH]c(C(N)=O)c3)[C@@H]2C1 1013135325 OMOSVBMWLCHPNV-SZEHBUNVSA-N 315.333 -0.540 30 20 DBED C=C1CC(C)(C(=O)N2C[C@H]3C(NC(=O)Cn4ncnn4)[C@@H]3C2)C1 1013149277 MOTFDZVPRQVFJN-GHMZBOCLSA-N 316.365 -0.398 30 20 DBED C#Cc1cncc(C(=O)NC2[C@H]3CN(C(=O)c4cnon4)C[C@H]23)c1 1013748108 NFSJAJDELSPCJY-RYUDHWBXSA-N 323.312 -0.054 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)[C@@H]2CCN(C)S2(=O)=O)C1 1015825819 SEEWKBRFFGKRJK-RYUDHWBXSA-N 301.412 -0.213 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@H]1CN(CC(=O)NC)C2 1017968692 SYIRXXHBQOCOBO-FQUUOJAGSA-N 307.394 -0.001 30 20 DBED CC(=O)N1CCOC[C@@H]1C(=O)N1[C@H]2CC[C@H]1CN(CC#N)C2 1018295052 YGSNPRXYMZEQJL-MELADBBJSA-N 306.366 -0.568 30 20 DBED N#CCN[C@H]1CCN(C(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 1018839048 LFEWUCAUYSJSAM-QWRGUYRKSA-N 302.338 -0.523 30 20 DBED Cc1nn[nH]c1C(=O)N1CC2(CCN(C(=O)[C@@H](C)C#N)C2)C1 1019245918 QHGNHNGUPAOZBE-VIFPVBQESA-N 302.338 -0.053 30 20 DBED C[C@H](C#N)C(=O)N1CCC2(C1)CN(C(=O)[C@@H]1CCNC1=O)C2 1019251163 HGCAZFRXWHTESU-GHMZBOCLSA-N 304.350 -0.657 30 20 DBED N#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)C2CC(=O)NC(=O)C2)C1 1021690692 KFGVPFNDEYXYMT-WCQYABFASA-N 318.377 -0.124 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2C[C@@H](NCc3nc(O)n[nH]3)C2)[nH]1 1021981183 QKJREKFKMKAZLQ-DTORHVGOSA-N 301.310 -0.239 30 20 DBED N#Cc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccon3)C2)c[nH]1 1023124720 GRBSGTLLMHJWBL-VXGBXAGGSA-N 315.289 -0.510 30 20 DBED CN1C(=O)CN(CC(=O)N2C[C@H]3[C@@H](NCC#N)CC[C@H]3C2)C1=O 1026396572 GEXFKLQFLGPZPS-TUAOUCFPSA-N 319.365 -0.769 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2CCN([C@@H](CC)C(N)=O)C2)nn1 1028852688 MDHFXNYAPOHZSF-YPMHNXCESA-N 320.397 -0.220 30 20 DBED C#CCCN1CC(CNC(=O)[C@]23C[C@H]4C[C@H](C(=O)N2)[C@H]3C4)C1 1031795991 YUCLVVYPPUXMAF-HVOFVXBASA-N 301.390 -0.028 30 20 DBED C#CCN1CCO[C@H](CNC(=O)c2cnn(CCOC)c2C)C1 1035370317 MYYCKTMACYOYFZ-CQSZACIVSA-N 320.393 -0.098 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)C2CCS(=O)(=O)CC2)C1 1035525706 BLEPLMNGYVYFMT-ZDUSSCGKSA-N 314.407 -0.739 30 20 DBED Cc1cc(C(=O)NC[C@@]2(O)CCN(C(=O)[C@@H](C)C#N)C2)cnn1 1039562587 XFUNYYMSGFCARI-BONVTDFDSA-N 317.349 -0.362 30 20 DBED C#CCCCC(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1039580397 SPJKQCCZRDIRCY-RPCCPQHDSA-N 320.389 -0.238 30 20 DBED C=CCCC(=O)N1CC[C@](O)(CNC(=O)[C@@]2(C)CNC(=O)C2)C1 1040334864 LSAVRUQVKWCBKY-CVEARBPZSA-N 323.393 -0.442 30 20 DBED C#CCCCC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2CCC(=O)N2)C1 1040434998 FKGZZGAHJNBIHJ-BLLLJJGKSA-N 321.377 -0.852 30 20 DBED C=CCCCC(=O)NC[C@@]1(O)CCN(C(=O)c2nc[nH]n2)C1 1040729032 KLVNECJSGRTALU-AWEZNQCLSA-N 307.354 -0.146 30 20 DBED C[C@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)c2nccs2)C1 1040760021 LLRYQNAIEBLASY-NOZJJQNGSA-N 308.363 -0.004 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)Cc3ccoc3)C2)nn1 1040997932 QJQDRPUBXFRQPC-CHWSQXEVSA-N 313.317 -0.150 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)C[C@H]2CCCCO2)C1 1042478115 PCLYYVKLRUOJJB-NWDGAFQWSA-N 309.366 -0.205 30 20 DBED O=C(C#CC1CC1)NCC1(O)CN(C(=O)[C@H]2C[C@H]3CC[C@H]2O3)C1 1042958836 NASURVLPYWBMTJ-HZSPNIEDSA-N 318.373 -0.343 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)[C@@H]3CCCCO3)C2)nn1 1043892586 APWCAGKGZJTFGZ-AGIUHOORSA-N 317.349 -0.417 30 20 DBED Cn1ccc(C(=O)N[C@@H]2CN(c3cnc(C#N)cn3)C[C@@H]2O)n1 1043972030 VPQKEPJVUNLWCK-NEPJUHHUSA-N 313.321 -0.939 30 20 DBED C=C(C)CCC(=O)N1CC(O)(CNC(=O)[C@H]2CC[C@@H]2C(N)=O)C1 1044442768 JJFWIAAQWHYQJY-RYUDHWBXSA-N 323.393 -0.456 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)[C@@H]2CCCNC2=O)C1 1044474976 HMIWCULIBJNIAA-LLVKDONJSA-N 323.393 -0.586 30 20 DBED N#Cc1nccnc1N1C[C@H](O)[C@H](NC(=O)[C@@]23COC[C@@H]2C3)C1 1044697804 WXPNBWUAPZLRKD-LIBKGXAOSA-N 315.333 -0.950 30 20 DBED C#CCC1(C(=O)N2CC(O)(CNC(=O)CCN(C)C)C2)CCC1 1045716316 DQOCMLZYUNNYSY-UHFFFAOYSA-N 321.421 -0.179 30 20 DBED C#CCN1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CNC(=O)N2)C1 1046969058 VHXFTFKHTOSXTR-VHSXEESVSA-N 300.309 -0.626 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC(=O)N(C(C)C)C2)C1 1047402184 LSYCRFGMVHAVMF-ILXRZTDVSA-N 321.421 -0.230 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCCN2C(N)=O)C1 1047592354 LGYFDLLQGQGWHG-AVGNSLFASA-N 308.382 -0.944 30 20 DBED C#CCO[C@H](C)C(=O)N(C)[C@H]1CN(C(=O)c2cnco2)C[C@@H]1O 1048853089 XWCUHEYGNPKUIF-WOPDTQHZSA-N 321.333 -0.643 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cn2cncn2)C1 1049595272 VYHKATXKYHPKIL-STQMWFEESA-N 319.365 -0.888 30 20 DBED C#CCCN1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1CC(=O)NC(=O)N1 1049750966 ATEZXCCQTNWCIG-XQQFMLRXSA-N 318.377 -0.327 30 20 DBED C=C(Cl)CN1CCOC[C@@H]1CNC(=O)[C@@H]1COCCO1 1050822441 UVFPEBAICKTEDC-RYUDHWBXSA-N 304.774 -0.029 30 20 DBED CCC(=O)N1CCC[C@@H](C(=O)NC[C@H]2COCCN2CC#N)C1 1050931857 QTOXOSGLNQHHQC-KGLIPLIRSA-N 322.409 -0.024 30 20 DBED CCC(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@@H]1n1ccnn1 1051391987 ZUHMZIDJHKFZTL-MNOVXSKESA-N 312.337 -0.104 30 20 DBED N#Cc1cnc(N2CC[C@@H](NC(=O)c3cocn3)[C@@H](O)C2)cn1 1051639641 RQZXZVZWVYEIJZ-PWSUYJOCSA-N 314.305 -0.294 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC2(CN(CCn3cccn3)C2)C1 1053187025 CTKRFYFGXXPJJH-ZDUSSCGKSA-N 303.366 -0.044 30 20 DBED C[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1CNC(=O)c1cnn[nH]1 1053243812 XAFHWUDZLHCTOC-NXEZZACHSA-N 312.337 -0.031 30 20 DBED CO[C@H](C(=O)N1CCOC2(CN(CC#N)C2)C1)[C@H]1CCOC1 1053358350 OSHHRELWBQRAJN-STQMWFEESA-N 309.366 -0.525 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)[C@H]3CCCS3(=O)=O)CO2)C1 1054012537 FNNISFBWLLGOTE-WDEREUQCSA-N 313.379 -0.953 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)c3cc(C(N)=O)ccn3)CO2)C1 1054027691 SDTZZYSRSBYXOQ-LBPRGKRZSA-N 314.345 -0.613 30 20 DBED N#CCN1CC[C@]2(CCCN(C(=O)CN3C(=O)CCC3=O)C2)C1 1054238096 LOVTYRCXIZSVIY-MRXNPFEDSA-N 318.377 -0.027 30 20 DBED C[C@H]1CN(C(=O)c2cnc3c(c2)NC(=O)CO3)C[C@H]1NCC#N 1054866551 JDWHDNPHYLTVAF-JOYOIKCWSA-N 315.333 -0.014 30 20 DBED C[C@H](C#N)C(=O)NCCN1CCC(NC(=O)CCN(C)C)CC1 1055631632 JMGDEDHIRGZVCW-CYBMUJFWSA-N 323.441 -0.205 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@](CO)(NC(=O)C2=COCCO2)C1 1055737856 DDVYLVJRYFZMDF-NHYWBVRUSA-N 323.349 -0.496 30 20 DBED N#Cc1cncc(N2C[C@H]3C(NC(=O)c4c[nH]c(=O)cn4)[C@@H]3C2)n1 1056389522 NIPMCXZHVKZCDO-NXEZZACHSA-N 323.316 -0.704 30 20 DBED C=CCO[C@H](C)C(=O)NCCN(CCO)C(=O)[C@@H](C)COC 1057192458 UMENLAYIELIZLE-QWHCGFSZSA-N 316.398 -0.203 30 20 DBED N#Cc1nccc(N2CCCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)n1 1057235810 JNRFRDDVHKYFNI-MNOVXSKESA-N 314.349 -0.492 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)[C@H](O)C(C)C 1057485811 PZAYPMALGUBUGC-CYBMUJFWSA-N 302.371 -0.857 30 20 DBED C=CCCCC(=O)NCCN(CCO)C(=O)[C@@H]1CCC(=O)N1 1058243365 FHJSLSXUJQMHBF-LBPRGKRZSA-N 311.382 -0.442 30 20 DBED Cc1cc(C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N)nc(C)n1 1058653061 LNLINHLXTTXWHK-JTQLQIEISA-N 319.365 -0.196 30 20 DBED Cc1ccn(CC(=O)NCCN(CCO)C(=O)[C@H](C)C#N)n1 1058658798 LWQPSAPOJCFUCM-LLVKDONJSA-N 307.354 -0.712 30 20 DBED CC(=O)N1CC(C(=O)N2CC[C@H](Nc3cnc(C#N)cn3)C2)C1 1058856030 RPCIFMSAMJJPDX-LBPRGKRZSA-N 314.349 -0.161 30 20 DBED C[C@@]1(C(=O)N[C@H]2C[C@@H](Nc3cnc(C#N)cn3)C2)CCNC1=O 1059822906 CNCOJPQBZNACFW-HFBDOXOYSA-N 314.349 -0.066 30 20 DBED C#CCO[C@H](C)C(=O)N1CCOC[C@@H]1CNC(=O)CSC 1061262123 VAFGSXUIQMYVOQ-NEPJUHHUSA-N 314.407 -0.269 30 20 DBED N#Cc1nccnc1N1CCC[C@H]1CNC(=O)[C@H]1CCC(=O)N1 1061327216 FDOJDWNEBGVUKJ-WDEREUQCSA-N 314.349 -0.288 30 20 DBED C=C(C)CCC(=O)N1CCOC[C@H]1CNC(=O)[C@@H]1CNC(=O)N1 1061828620 YRKQZTNVQACXMU-NEPJUHHUSA-N 324.381 -0.632 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)c1ccn(C)n1 1061852466 IPORMCMUKPPTKJ-QWRGUYRKSA-N 305.338 -0.463 30 20 DBED C#CCOCCC(=O)NC1(CNC(=O)CC(=O)N(C)C)CCC1 1063089222 FOEJJZSNGKJAQF-UHFFFAOYSA-N 323.393 -0.340 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)[C@H]2CCCC(=O)N2)CCC1 1063386527 OBDDPSMKHRQIQL-WDEREUQCSA-N 306.366 -0.030 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)[C@@H]2CCN(C)C2=O)CCC1 1064086787 ROPMULNDZOMPMD-MNOVXSKESA-N 306.366 -0.221 30 20 DBED COCCC(=O)NC[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)CCO1 1065054019 NXQIVRVYBMDEBQ-LBPRGKRZSA-N 320.349 -0.120 30 20 DBED C=CC(C)(C)C(=O)N1CCO[C@@H](CNC(=O)Cn2ncnn2)C1 1065419542 BXZSPRTVGDYSTI-NSHDSACASA-N 322.369 -0.771 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2cnon2)CCO1 1065507905 WQYUCYUNOKYIDZ-SNVBAGLBSA-N 310.310 -0.771 30 20 DBED N#Cc1ccc(N2CCOC[C@@H]2CNC(=O)c2cnn[nH]2)cn1 1066530956 NGNFLAWKRCMDDS-LBPRGKRZSA-N 313.321 -0.293 30 20 DBED Cc1cc(C#N)nc(N[C@H]2CN(C(=O)CC(N)=O)C[C@@H]2C)n1 1067063318 VWTWRILFERDYHA-KWQFWETISA-N 302.338 -0.209 30 20 DBED C[C@H]1CN(C(=O)Cc2nc[nH]n2)C[C@@H]1N=c1cc[nH]cc1C#N 1067145241 VGNDDGOBXSBHRF-GWCFXTLKSA-N 311.349 -0.005 30 20 DBED CCS(=O)(=O)CC(=O)N(C)CCCN(C)C(=O)[C@@H](C)C#N 1067626049 LGNBVUQNUNTZKQ-NSHDSACASA-N 317.411 -0.112 30 20 DBED N#Cc1ccc(N2C[C@H](CNC(=O)c3cnccn3)[C@@H](O)C2)cn1 1067646336 ZMXACDMMYLGGNB-NHYWBVRUSA-N 324.344 -0.030 30 20 DBED C=CCCC(=O)N1CC2(C[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)CO2)C1 1069041519 XWVOQPGYMNBEFJ-UTUOFQBUSA-N 321.377 -0.440 30 20 DBED CCC1(NC(=O)[C@H](C)C#N)CCN(C(=O)Cn2ncnn2)CC1 1069390264 KGXSUQHTGBGJIL-LLVKDONJSA-N 319.369 -0.280 30 20 DBED Cn1ncc(C(=O)N2C[C@H]3C[C@@H]4CN(CC#N)C[C@]3(C2)O4)n1 1070866765 AVAGXJTYKZEWGU-JTNHKYCSSA-N 302.338 -0.746 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCCN(C(=O)CCCC(N)=O)C1 1070936488 RTMFYQYZTXJOPR-CYBMUJFWSA-N 323.393 -0.211 30 20 DBED CC(=O)N1CC(C(=O)N2C[C@H](C)O[C@]3(CCN(CC#N)C3)C2)C1 1071160010 VQOAIABTESOMQA-LRDDRELGSA-N 320.393 -0.320 30 20 DBED C=CCOCC(=O)N[C@H]1CN(C(=O)CNC(=O)C2CC2)C[C@H]1C 1071687966 OSOVAXCQPLNCGX-YPMHNXCESA-N 323.393 -0.322 30 20 DBED C=CCOCC(=O)N1C[C@H](C)[C@H](NC(=O)CCn2ccnn2)C1 1071809721 XXNCJUAUAYOKQA-QWHCGFSZSA-N 321.381 -0.166 30 20 DBED C[C@H](C#N)C(=O)NC1(C)CCN(C(=O)Cn2nccn2)CC1 1073055690 VFSYCWMHVVSBMJ-LLVKDONJSA-N 304.354 -0.065 30 20 DBED CC#CCN1CCCO[C@H](CNC(=O)[C@@H]2CN(C)CCO2)C1 1073564293 VSDYDRNASWNLER-CABCVRRESA-N 309.410 -0.453 30 20 DBED CC#CCN1CCO[C@H]2CCN(C(=O)Cn3cncn3)C[C@H]21 1074399942 LVAVVSGTSKKAHA-KGLIPLIRSA-N 303.366 -0.397 30 20 DBED C#CCOCCC(=O)N[C@@H](C)CCNC(=O)c1cnn(CC)n1 1076381203 KGLNLAFHTJMMIV-LBPRGKRZSA-N 321.381 -0.038 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H](C)CCNC(=O)CCNC(N)=O 1076451314 OGXBQPOOQMZSFX-WDEREUQCSA-N 312.370 -0.906 30 20 DBED N#CCN1C[C@@H]2CCN(C(=O)[C@H]3CCc4nn[nH]c4C3)[C@@H]2C1 1076456503 PBIRVKSJVUJWPC-COPLHBTASA-N 300.366 -0.034 30 20 DBED CNC(=O)NCC(=O)NCC[C@H](C)NC(=O)c1c[nH]c(C#N)c1 1076900976 NEVFORIWUDKDGU-VIFPVBQESA-N 320.353 -0.560 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(Cc2ncccn2)C[C@H]1O 1077694207 ITISAAHWZIYPJV-SYQHCUMBSA-N 318.377 -0.271 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCC[C@@H](N(C)C(=O)C(N)=O)CC1 1079052518 PJOOVIHFLNMSOF-ABAIWWIYSA-N 311.382 -0.362 30 20 DBED C#CCOCCC(=O)N1CC(N(CC)C(=O)[C@@H]2COCCO2)C1 1079349568 JGUIFNHRSVKKJT-AWEZNQCLSA-N 324.377 -0.499 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(N(CC)C(=O)[C@H]2CCC(=O)N2)C1 1079486746 IYEVTMOKJLFRLE-DGCLKSJQSA-N 321.377 -0.637 30 20 DBED C=CCC1(C(=O)N(CC)C2CN(C(=O)C(N)=O)C2)CCOCC1 1080244204 LLZGXWGCCYFQOX-UHFFFAOYSA-N 323.393 -0.096 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CSCC#N)C1 1081286405 KSVPAJVQIOIWIW-QWHCGFSZSA-N 323.418 -0.162 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)c2ccncn2)C[C@H]1O 1081464238 XIKIZLDOVUMGDP-GXTWGEPZSA-N 316.361 -0.315 30 20 DBED C=C(C)CCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cnon2)C1 1081682033 KZOBIDQXVUFPFG-PWSUYJOCSA-N 308.338 -0.025 30 20 DBED C=C(C)CN1C[C@@H](NC(=O)c2cn(C)c(=O)n2C)[C@H](OC)C1 1082387142 OVLAPLYKCFQVDQ-DGCLKSJQSA-N 308.382 -0.271 30 20 DBED CC[C@H](C(N)=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)C#CC1CC1 1083077615 QDMVPVWOQGZYOM-HZSPNIEDSA-N 305.378 -0.425 30 20 DBED C=C(C)CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CNC(=O)N1 1083179788 JIPUIZGYZIHYSY-RWMBFGLXSA-N 308.382 -0.454 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CCC(=O)N(C)C1 1083285215 JWFHXCWHUNGBLM-SOUVJXGZSA-N 319.405 -0.210 30 20 DBED COc1ccc(OC)c(CC(=O)N[C@@H]2CN(CC#N)C[C@@H]2O)c1 1083542826 RFNIZNRDJSHVSS-KGLIPLIRSA-N 319.361 -0.069 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)c2cc(C)c(C(N)=O)cn2)C1 1083792364 LMJAUJHNSUNBSD-KGLIPLIRSA-N 316.361 -0.713 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)C[C@@H]2CCCS(=O)(=O)C2)C1 1083928448 VDSGXXDCBKDNFM-XQQFMLRXSA-N 316.423 -0.451 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)c2ccc(C(=O)NC)nc2)C1 1083963740 DNCJCYIMZAXJIF-KGLIPLIRSA-N 318.377 -0.208 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CCN(CC(N)=O)C[C@H]21 1084418016 QPEMUJUGMYMMNX-HZSPNIEDSA-N 304.394 -0.898 30 20 DBED C#CCN1CCC[C@@H]2[C@H](NC(=O)Cn3cnnn3)C(C)(C)[C@H]21 1087271710 WHDMBJKIPNPKRH-XBFCOCLRSA-N 302.382 -0.089 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CN(c2ncnc3scnc23)C[C@H]1O 1090404617 QXSCXEWUSKKMFI-IWSPIJDZSA-N 318.362 -0.088 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2ncn(C(C)(C)C)n2)[C@H](O)C1 1090570432 QROTWAQFUVANLM-VXGBXAGGSA-N 305.382 -0.169 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CCN(CCOC)C[C@@H]2O)cn1 1090739961 QGDYSEUFUONSGS-CABCVRRESA-N 303.362 -0.126 30 20 DBED N#CCSCC(=O)N[C@@H]1CN(c2cnc(F)cn2)C[C@@H]1O 1091070671 JOYUDSMHLMGVKF-BDAKNGLRSA-N 311.342 -0.462 30 20 DBED COC[C@@H](C)CC(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@@H]1O 1091137332 IGBJDEGCWTZSRA-UHTWSYAYSA-N 319.365 -0.313 30 20 DBED CN(C)CCC(=O)N[C@H]1CCN(c2ncccc2C#N)C[C@@H]1O 1092173276 KJGFQJHZKKJZKG-KBPBESRZSA-N 317.393 -0.039 30 20 DBED C[C@H](NC(N)=O)C(=O)N1CCN(c2ccncc2C#N)CC1 1093145643 WBYMADFTGIQZHA-JTQLQIEISA-N 302.338 -0.341 30 20 DBED N#CCN1CC(OC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)C1 1093536419 IZFUQMYWGNAATB-CHWSQXEVSA-N 308.338 -0.133 30 20 DBED N#Cc1nc(=NCCNC(=O)CCn2ccccc2=O)cc[nH]1 1094201567 KATBZOYLLIWQTO-UHFFFAOYSA-N 312.333 -0.450 30 20 DBED CN1CCOC[C@@H]1C(=O)NCCCNc1ccc(C#N)nn1 1094395295 IKMODKPLZWNTNM-GFCCVEGCSA-N 304.354 -0.403 30 20 DBED CCc1ocnc1C(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1 1094716463 ZIRZECBYDFKUQK-JTQLQIEISA-N 317.349 -0.225 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)c3[nH]cnc3CC)CC2=O)C1 1094812059 XNBIXFRSTQADOY-LLVKDONJSA-N 315.377 -0.380 30 20 DBED N#Cc1nc(=NCCCNC(=O)CN2CCCNC2=O)cc[nH]1 1094884920 BLRMZCXGKSXDGC-UHFFFAOYSA-N 317.353 -0.896 30 20 DBED CNC(=O)NCC(=O)N1CC[C@@H](N(C)c2ccc(C#N)nc2)C1 1095157141 QKHNTVOZGRUYCK-CYBMUJFWSA-N 316.365 -0.081 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN1CCCS1(=O)=O 1095499936 BWUVRYKOBPTVFW-AGIUHOORSA-N 311.407 -0.623 30 20 DBED Cn1cc(C(N)=O)cc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC#N 1095696057 PVAJZGUFEIFYHU-WOPDTQHZSA-N 301.350 -0.017 30 20 DBED C=C(C)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN1CCNC(=O)C1 1095865884 WYNNXPLBBOGQST-RDBSUJKOSA-N 306.410 -0.284 30 20 DBED CCC(=O)N[C@H](C)C(=O)N[C@@H]1CCN(c2ccnc(C#N)n2)C1 1096494114 GDQAKLVFPIKBQR-GHMZBOCLSA-N 316.365 -0.042 30 20 DBED CNC(=O)C1(C(=O)N2CC[C@H](Nc3ccc(C#N)nn3)C2)CC1 1096946563 BZZUVDVXSDPWIL-NSHDSACASA-N 314.349 -0.113 30 20 DBED N#Cc1cnc(N2CCC[C@@H](CNC(=O)CC(N)=O)C2)cn1 1097288871 BIKOWLPDTBWABV-JTQLQIEISA-N 302.338 -0.444 30 20 DBED C#CCCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cn1ncn(C)c1=O 1097379398 WXNFSBHKRJJULC-UPJWGTAASA-N 303.366 -0.673 30 20 DBED Cc1cc(C#N)nc(N[C@H](C)CNC(=O)[C@H]2COC(=O)N2)n1 1097815427 BGCHSADMDKOREE-PSASIEDQSA-N 304.310 -0.318 30 20 DBED Cc1cc(C#N)nc(N[C@@H](C)CNC(=O)Cc2nc[nH]n2)n1 1098056212 HSPOVJZKGSVONB-VIFPVBQESA-N 300.326 -0.066 30 20 DBED C[C@H](CNC(=O)[C@H]1CCN(C)C1=O)Nc1ccc(C#N)nn1 1098193220 BOYIMEONXGMGAX-MWLCHTKSSA-N 302.338 -0.257 30 20 DBED N#CCN(CCO)C1CCN(C(=O)CN2CCCNC2=O)CC1 1098418887 NTGXXRYFHRBXLZ-UHFFFAOYSA-N 323.397 -0.789 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](CNc2ncccn2)C1 1098524329 SIYFXFKPWWUXOC-GFCCVEGCSA-N 301.350 -0.124 30 20 DBED C=C(C)CNCc1cn([C@@H]2CCN(C(=O)CC(N)=O)C2)nn1 1098641346 SAISHVGWAGFJSD-GFCCVEGCSA-N 306.370 -0.407 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H]1CCC(C)(C)CN1CC(N)=O 1099034353 WXXDHZAXNTUUNA-LBPRGKRZSA-N 322.409 -0.782 30 20 DBED CN(C)C(=O)CC(=O)N[C@@H]1CN(CC#N)CC2(CCOCC2)C1 1099592760 JLGGYEOXSKPSOA-ZDUSSCGKSA-N 322.409 -0.024 30 20 DBED CC(C)C#CC(=O)N[C@H]1CCN(Cc2cnnn2C)C[C@@H]1O 1099821942 YMVSWDIVOGKTEX-KBPBESRZSA-N 305.382 -0.474 30 20 DBED C#CCN1CC[C@@H](NC(=O)C2(NC(N)=O)CCCCC2)[C@@H](O)C1 1100026974 KLAFVCHWNYWQGO-OLZOCXBDSA-N 322.409 -0.458 30 20 DBED CN(CCNC(=O)c1ccc2nn[nH]c2n1)c1cncc(C#N)n1 1100390875 JNWIHTPLDUFHQA-UHFFFAOYSA-N 323.320 -0.119 30 20 DBED C#CCNC(=O)[C@H](C)NC1CC(CNC(=O)Cc2cnoc2)C1 1100600656 BOKYVJDZZXZRRN-DCBWTQNWSA-N 318.377 -0.161 30 20 DBED C#CCNC1CC(CNC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 1100766251 ZDUVQENTLFTYLX-UHFFFAOYSA-N 314.349 -0.811 30 20 DBED C#CCN1C[C@@H]2CN(C(=O)CNS(=O)(=O)CC)C[C@]2(C)C1 1101256397 VBROABJQKKOQSH-OCCSQVGLSA-N 313.423 -0.661 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)CC(N)=O)c3nccn32)C1 1101620522 MKAURKRYPXHKED-LLVKDONJSA-N 301.350 -0.646 30 20 DBED CC(=O)NCC(=O)NCC[C@@H]1CCN(c2ccnc(C#N)n2)C1 1102268676 PCVKRXULWIEXTA-GFCCVEGCSA-N 316.365 -0.183 30 20 DBED C[C@H](CC(N)=O)C(=O)N(C)[C@@H]1CCN(c2ccc(C#N)nn2)C1 1102752325 FFEZQMBPJBJCMT-ZYHUDNBSSA-N 316.365 -0.103 30 20 DBED CC[C@H](CNC(=O)[C@@H]1COCCN1C)Nc1ccc(C#N)nn1 1103036182 HMLAYTBFGVSYBW-YPMHNXCESA-N 318.381 -0.014 30 20 DBED COCC(=O)NCCC(=O)NCC[C@@H]1CN(CC#N)C[C@H]1C 1103055420 CCAVEBPCANUIQA-CHWSQXEVSA-N 310.398 -0.263 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC(n2cc(CNCCOC)nn2)C1 1105381021 LTGDYGYFKBJQQC-LBPRGKRZSA-N 323.397 -0.012 30 20 DBED C=CCCOCC(=O)N1CC(n2cc(CNCCO)nn2)C1 1105381364 YCXDZRWDDQHBCZ-UHFFFAOYSA-N 309.370 -0.664 30 20 DBED CN(CCN(C)c1ncccc1C#N)C(=O)CCn1cnnn1 1105446248 NKHIZMFAKZVSNH-UHFFFAOYSA-N 314.353 -0.075 30 20 DBED CNC(=O)CC(=O)N[C@H]1CCC[C@H]1CN=c1cc[nH]c(C#N)n1 1105662378 HDROVHPQBOQVKD-QWRGUYRKSA-N 316.365 -0.397 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)C2=COCCO2)C[C@H]1C 1105787544 SUHZCGAMYBGUCI-CHWSQXEVSA-N 321.377 -0.692 30 20 DBED CO[C@@H](C)CCC(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1 1105794756 LMRZASXICYQXQT-QWRGUYRKSA-N 307.354 -0.526 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)[C@H]2CCCCO2)nn1 1105819639 HSAMXGXUBIOQKM-NWDGAFQWSA-N 305.338 -0.194 30 20 DBED CCN(CC)CC(=O)NC[C@H](O)CNc1nc(C)cc(C#N)n1 1105869327 POKNNBDVOCHVQJ-ZDUSSCGKSA-N 320.397 -0.113 30 20 DBED N#Cc1cnc(NC[C@@H](O)CNC(=O)Cc2ncc[nH]2)c(F)c1 1105937171 FRMYWQXKHKVQAZ-JTQLQIEISA-N 318.312 -0.053 30 20 DBED Cc1ccc(C#N)c(NC[C@@H](O)CNC(=O)c2[nH]nnc2C)n1 1106035994 QDMJRYSMOYZRTD-LLVKDONJSA-N 315.337 -0.109 30 20 DBED C[C@H](NS(C)(=O)=O)C(=O)N1C[C@@H](C)[C@H](CNCC#N)C1 1106703163 CLPGNJCUJNXJSD-OUAUKWLOSA-N 302.400 -0.868 30 20 DBED C#CCNC[C@@H]1CN(C(=O)CN2C(=O)CN(C)C2=O)C[C@H]1C 1106960399 MYKVEQFTJPOJQE-VXGBXAGGSA-N 306.366 -0.802 30 20 DBED COCCOCC(=O)NC/C=C/CN=c1cc[nH]c(C#N)n1 1107080851 UKYZUMHFEYXOMZ-NSCUHMNNSA-N 305.338 -0.483 30 20 DBED CN1CCOC[C@H]1C(=O)NC/C=C\CNc1cnc(C#N)cn1 1107161468 IOMPRNSXRRATBH-ZRMMWKCHSA-N 316.365 -0.237 30 20 DBED C#CCN1CC(n2cc(CNC(=O)CCc3cnc[nH]3)nn2)C1 1107178168 KYWRDTFLJJIZQC-UHFFFAOYSA-N 313.365 -0.260 30 20 DBED CCN(C)C(=O)CN1CCO[C@](C)(CNC(=O)[C@@H](C)C#N)C1 1107819736 UIYXQOSHAYCRGF-SWLSCSKDSA-N 310.398 -0.169 30 20 DBED C[C@H](CN=c1cc[nH]cc1C#N)NC(=O)C(=O)NCC1CC1 1107905688 FBHWWAZIBSUSFM-SNVBAGLBSA-N 301.350 -0.182 30 20 DBED C=CCCN1CCO[C@@](C)(CNC(=O)C2CS(=O)(=O)C2)C1 1107969897 XIBUAUZAFOUXKK-AWEZNQCLSA-N 316.423 -0.186 30 20 DBED C=CCN1CCO[C@@](C)(CNC(=O)Cn2ccc(O)nc2=O)C1 1108056202 XZNBSNJVYOMFST-HNNXBMFYSA-N 322.365 -0.658 30 20 DBED COCC#CCN1CCO[C@@](C)(CNC(=O)Cc2cnc[nH]2)C1 1108244400 KKMSFEJYPCZBKL-INIZCTEOSA-N 320.393 -0.191 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)COC[C@H]2CCOC2)C1 1108253747 QBEJPIWLZJPMKD-GOEBONIOSA-N 310.394 -0.120 30 20 DBED C[C@]1(CNC(=O)c2nc3ncccn3n2)CN(CC#N)CCO1 1108293248 CMDFPKOLKYBQBI-AWEZNQCLSA-N 315.337 -0.531 30 20 DBED CCC(=O)N1CC[C@@H](C(=O)NC[C@@]2(C)CN(CC#N)CCO2)C1 1108328006 YRKKOVDOLFVIHO-CJNGLKHVSA-N 322.409 -0.024 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)[C@@H](CCC)NC(N)=O)C1 1108367289 BUQCFYVXZWNUIV-IUODEOHRSA-N 310.398 -0.336 30 20 DBED C=CCOCCN1CC(N2C[C@@H](NC(=O)COC)CC2=O)C1 1108493859 ACJREHKBALJZBI-LBPRGKRZSA-N 311.382 -0.763 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)[C@H](F)C(F)(F)F)CC2=O)C1 1108548251 IHCXTLCQPNZZIO-KCJUWKMLSA-N 321.274 -0.079 30 20 DBED Cc1ccc(C#N)c(NC[C@H](C)NC(=O)[C@H]2CNC(=O)N2)n1 1108669098 NDJUUKOHXJJRKG-GXSJLCMTSA-N 302.338 -0.140 30 20 DBED COCC(=O)N[C@@H](C)C(=O)N[C@@H](C)CNc1ccc(C#N)nn1 1108746797 XADYBPBFLOLOIL-UWVGGRQHSA-N 320.353 -0.584 30 20 DBED C[C@H](CN(C)c1ccc(C#N)nn1)NC(=O)[C@@H]1CCN(C)C1=O 1109184354 XVKLYBOINMFPIY-PWSUYJOCSA-N 316.365 -0.233 30 20 DBED C[C@@H](CC(N)=O)C(=O)N[C@H](C)CN(C)c1cnc(C#N)cn1 1109204615 AZCLSGPAJWIOQE-VHSXEESVSA-N 304.354 -0.199 30 20 DBED C[C@H](CC(=O)N(C)CCCN=c1cc[nH]c(C#N)n1)NC(N)=O 1109532530 GOIPCALKQZUBDA-SNVBAGLBSA-N 319.369 -0.523 30 20 DBED C=C(C)CN(CC)C(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C(N)=O 1109656453 VUAPEHRFFICYRM-AGIUHOORSA-N 322.409 -0.382 30 20 DBED C=CCOCC(=O)N[C@H]1[C@H]2C[C@H]1N(c1nccn3nnnc13)C2 1109703130 ZKTFLUSSNKGOTG-UMNHJUIQSA-N 315.337 -0.585 30 20 DBED CC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H](C)NS(C)(=O)=O 1109764360 FJTSZXQFABMESA-RNJOBUHISA-N 313.423 -0.331 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H]1CC(=O)N(C)C1 1110616940 WMFUUCDQLRFFQA-TUVASFSCSA-N 319.405 -0.164 30 20 DBED CC(=O)NCC(=O)N(CCO)CCN=c1cc(C)[nH]cc1C#N 1111421473 JMLJUAMHPHEWBG-UHFFFAOYSA-N 319.365 -0.948 30 20 DBED C#CCNC(=O)CC(=O)N1CCN([C@@H](C)c2nncn2C)CC1 1112778043 YGAWBZBWEIHNAI-LBPRGKRZSA-N 318.381 -0.840 30 20 DBED COCC#CCN1CCN(C(=O)CN2CCCNC2=O)CC1 1113064964 UUGYIKQIRPYLDQ-UHFFFAOYSA-N 308.382 -0.804 30 20 DBED C[C@H](CNC(=O)CCn1ccnn1)N(C)c1ccnc(C#N)n1 1113579720 TVMDLFKLABNEJL-LLVKDONJSA-N 314.353 -0.029 30 20 DBED COCC#CCN1CCN(C(=O)CNC(=O)C(C)(C)C)CC1 1113626456 PHPAQYIFLOLGAQ-UHFFFAOYSA-N 309.410 -0.057 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)c2ccnc(C)n2)CC1 1113638996 NKVLSHVDUGZGFA-GFCCVEGCSA-N 315.377 -0.319 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)CCOC(C)C)[C@@H]2C1 1113896541 DAHRCIXOAHFQSS-BFHYXJOUSA-N 321.421 -0.014 30 20 DBED CNC(=O)NCC(=O)NC[C@H](C)N(C)c1ncccc1C#N 1113938738 NVIQLKXJFDSVSS-JTQLQIEISA-N 304.354 -0.177 30 20 DBED C=CCCC(=O)NC1[C@H]2CN(CCNS(C)(=O)=O)C[C@H]12 1114026113 WHCCKUXWZQTBGL-QWRGUYRKSA-N 301.412 -0.452 30 20 DBED C=CCOCCN1C[C@H]2[C@H](NC(=O)C3CS(=O)(=O)C3)[C@H]2C1 1114321313 KPSCWXJOHAEKSL-ITGUQSILSA-N 314.407 -0.720 30 20 DBED CN(C)[C@H](C(=O)NC1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]12)C1CC1 1114409071 GACBARPYRMGEIK-JMSVASOKSA-N 319.409 -0.987 30 20 DBED N#CCN1C[C@@H]2C(NC(=O)COCc3ccnc(O)c3)[C@H]2C1 1114465396 GAFZPHSAOKCTDB-RYUDHWBXSA-N 302.334 -0.126 30 20 DBED C[C@H](CN(C)C(=O)[C@H]1COC(=O)N1)N=c1cc[nH]cc1C#N 1115702964 PLDIGBORLGHSRW-BXKDBHETSA-N 303.322 -0.258 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCN(CC(C)C)C(=O)[C@@H]1C 1117395714 LZRMQFWRVKJOGQ-ZDUSSCGKSA-N 323.393 -0.532 30 20 DBED N#Cc1ccc(NC(=O)C(=O)NCCOCC(N)=O)cc1F 1117674925 CJKALUKGNFTDDI-UHFFFAOYSA-N 308.269 -0.746 30 20 DBED CON(C)C(=O)CNC(=O)C(=O)N1CCc2ccc(C#N)cc21 1118055697 YMCGAABLLKZKQD-UHFFFAOYSA-N 316.317 -0.417 30 20 DBED COCC#CC(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1 1118776475 WBSKOOJEEAALHM-UHFFFAOYSA-N 302.334 -0.521 30 20 DBED COC[C@@H]1CCN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1 1119005005 IYWVJGVJEDFQHO-TZMCWYRMSA-N 320.393 -0.320 30 20 DBED C=CCn1cc(Cn2nnnc2N(C)C[C@H]2C[C@@H](O)C2)nn1 1120310977 XACCHAPIVOTLQY-KLPPZKSPSA-N 304.358 -0.294 30 20 DBED CCc1nc(C#N)cc(N[C@H](CO)CNC(=O)[C@@H](C)OC)n1 1121159312 SQVUTBXXMCANPY-KOLCDFICSA-N 307.354 -0.165 30 20 DBED N#Cc1cncc(N[C@@H](CO)CNC(=O)[C@]2(F)CCOC2)n1 1122410521 GYZDXJBNLVRJQZ-MFKMUULPSA-N 309.301 -0.634 30 20 DBED CC(=O)NCC(=O)N1C[C@H](N=c2cc[nH]c(C#N)n2)C[C@@H]1C 1123121746 OPYHIDQIALXGHI-GXSJLCMTSA-N 302.338 -0.692 30 20 DBED CN(C[C@@H](O)CNc1nccn2nnnc12)C(=O)C#CC1CC1 1124284437 YWOSRRQEWIPTSH-NSHDSACASA-N 315.337 -0.836 30 20 DBED COC[C@@H](OC)C(=O)N(C)C[C@@H](O)CNc1nccnc1C#N 1124722066 UAXOFIKZGOEBCU-CMPLNLGQSA-N 323.353 -0.759 30 20 DBED O=C(C#CC1CC1)NCCNC[C@H](O)COC[C@@H]1CCCO1 1126886445 SJZSHRGAQKGQQL-GJZGRUSLSA-N 310.394 -0.338 30 20 DBED C#CCO[C@H](C)C(=O)NCc1cnn2c1CN(CC#N)CC2 1128362654 ILAHSJSDCUUYNS-GFCCVEGCSA-N 301.350 -0.123 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)CC[C@@H]1CCCN1C 1129845926 KTUVZELVZXXHNT-KGLIPLIRSA-N 308.426 -0.296 30 20 DBED Cn1cnc([C@@H]2CN(C(=O)CSCC#N)C[C@H]2NCCO)c1 1130502658 XFFDHJNOLMYTPH-WCQYABFASA-N 323.422 -0.447 30 20 DBED C#CCCCC(=O)N1C[C@@H](NCC(N)=O)[C@H](c2cncn2C)C1 1130978107 RIGFZDPDPDJATK-CHWSQXEVSA-N 317.393 -0.407 30 20 DBED C=C[C@](C)(O)CC(=O)N1C[C@H]2C[C@@H]3CN(CCCO)C[C@]2(C1)O3 1131220276 KDUBMKNXSCXXSP-TXCZRRACSA-N 324.421 -0.002 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)[C@@H](C)CCOC)CC1 1131394984 NXEOEIPJWUKNOI-AWEZNQCLSA-N 309.410 -0.057 30 20 DBED Cc1c[nH]c(C(=O)N[C@@H]2CC[C@H](C)N(CC(=O)NCC#N)C2)n1 1132348375 LNNMNZOTYLTLKN-NWDGAFQWSA-N 318.381 -0.059 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)CCc1cnn[nH]1 1134014332 RSVDRROZUCZBPH-UHFFFAOYSA-N 321.385 -0.795 30 20 DBED C#CCCN[C@@H](C)C[C@H](C)NC(=O)c1cnc(O)n(C)c1=O 1135167487 UYHXXIINRRCXSU-QWRGUYRKSA-N 306.366 -0.004 30 20 DBED C=CCN[C@@H](C)C[C@H](C)NC(=O)CN1C(=O)C(=O)N(C)C1=O 1135598078 ZQNQRSLWWQNCCB-UWVGGRQHSA-N 310.354 -0.534 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@@H]1CCN(C(=O)CC)C1 1146896465 QUGVLCYSISLTBO-GFCCVEGCSA-N 310.398 -0.747 30 20 DBED COCC#CCN1CCCO[C@H](CNC(=O)c2cnccn2)C1 1149074271 IPNALQUCORAYOO-CQSZACIVSA-N 318.377 -0.053 30 20 DBED CN(C)C(=O)CCCC(=O)NC[C@H]1CN(CC#N)CCCO1 1150614240 VCNNQCXWVDCCCX-ZDUSSCGKSA-N 310.398 -0.024 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@H](C(C)C)N1CCCC1 1152464535 UYXIJBJNEWFSRZ-HNNXBMFYSA-N 308.426 -0.438 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@@H](C(C)C)N1CCCC1 1152474063 ZDWXNXPHUMYQIL-LSDHHAIUSA-N 322.453 -0.050 30 20 DBED COCC#CCNCCCNC(=O)C(=O)N1CCC[C@H](C)C1 1167736580 IEZMHQHQMMAVPZ-AWEZNQCLSA-N 309.410 -0.009 30 20 DBED C#CCCNCCCC[C@@H](C)NC(=O)Cn1cnc(C(N)=O)n1 1170879435 XIZJWHGKKKQOJJ-GFCCVEGCSA-N 320.397 -0.335 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)c1cnn2cc[nH]c12 1174612637 HODRHIVCBBEFCZ-NSHDSACASA-N 316.365 -0.490 30 20 DBED C[C@@H](CCCCNCC(=O)NCC#N)NC(=O)c1ncccn1 1175821818 WRYRMCJXNOXNJD-LBPRGKRZSA-N 318.381 -0.005 30 20 DBED C=CCNC(=O)CNCCCNC(=O)CCOCCOC 1177303738 CSNWXELUKPLHKR-UHFFFAOYSA-N 301.387 -0.562 30 20 DBED N#CCNCCCCCCNC(=O)Cn1cnc(C(N)=O)n1 1178521750 CWUPALLYRNKZIF-UHFFFAOYSA-N 307.358 -0.833 30 20 DBED C#CCN[C@H]1CCN(C(=O)CS(=O)(=O)NC(C)(C)C)[C@H]1C 1180156879 KMVPWXBUXGBPAV-RYUDHWBXSA-N 315.439 -0.084 30 20 DBED C#CCCN[C@@H]1CCN(C(=O)C2(n3cnnn3)CCOCC2)C1 1186235072 RBPAHMGXYFACMI-CYBMUJFWSA-N 318.381 -0.607 30 20 DBED C=CCOCCN[C@@H]1CCN(C(=O)[C@H]2CCCS2(=O)=O)C1 1187975643 JPTAZSXBUCQMHV-CHWSQXEVSA-N 316.423 -0.043 30 20 DBED C#CCN1C[C@@H]2CCN(C(=O)CNC(=O)c3ccccn3)[C@@H]2C1 1190311285 AAIRBCMWPUMFLO-DZGCQCFKSA-N 312.373 -0.023 30 20 DBED CN(CC(=O)NCC#N)[C@H]1CCN(C(=O)c2ccsn2)C1 1190846169 CPSCIXSMFGSOTA-JTQLQIEISA-N 307.379 -0.071 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)Cn2cncc2C)C1 1191360075 KRQJZHJIKGBEJA-AWEZNQCLSA-N 317.393 -0.526 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)CCOC[C@@H]2CCCO2)C1 1194342181 DPHIBOXZVZCYLH-RRFJBIMHSA-N 310.394 -0.243 30 20 DBED C=CCCCN1C[C@@H](O)[C@H](NC(=O)CCn2ncn(C)c2=O)C1 1194952665 QODHJLZZAABWBM-CHWSQXEVSA-N 323.397 -0.901 30 20 DBED N#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)CCCC2CC2)C1 1195453770 ZLBJZGLLOFTSSJ-CHWSQXEVSA-N 308.382 -0.632 30 20 DBED C=C[C@](C)(CC)C(=O)N[C@@H]1CN(CC(=O)N2CCC2)C[C@H]1O 1195932749 WQEYJMCFYCHQTR-XJKCOSOUSA-N 309.410 -0.018 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(C(N)=O)c2)C1 1198681149 WTJQAWKLAIPBDJ-CHWSQXEVSA-N 322.365 -0.909 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2cnnn2C)C[C@H]1O 1199313342 KAECZOGHOLCXDH-CYZMBNFOSA-N 309.370 -0.933 30 20 DBED C=CCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN2C(N)=O)C1 1199439230 MTNFMJLMFYTGCU-FRRDWIJNSA-N 310.398 -0.343 30 20 DBED N#Cc1c[nH]c(C(=O)N2CCC(NCC(=O)NC(N)=O)CC2)c1 1199980565 VDSKZLWIBYLYCQ-UHFFFAOYSA-N 318.337 -0.725 30 20 DBED C#CCNC(=O)CC(=O)N1CCC(NCc2cnsn2)CC1 1200171352 YOACWTIGYFZSNY-UHFFFAOYSA-N 321.406 -0.242 30 20 DBED Cc1ncc(CC(=O)N2CCC(NCC(=O)NCC#N)CC2)o1 1201029273 XKKRPKPLGSDMAN-UHFFFAOYSA-N 319.365 -0.254 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)c2ccc(C(N)=O)[nH]2)CCCO1 1201419173 FAVQHYXITKDFMU-GFCCVEGCSA-N 318.377 -0.042 30 20 DBED C#CCN[C@H]1C[C@H]2CC[C@H]1N(C(=O)CNS(=O)(=O)CC)C2 1204408590 PFIFWNJXTJMKKV-FRRDWIJNSA-N 313.423 -0.472 30 20 DBED C=CCCn1cc(C(=O)N2CCC(CNCC(N)=O)CC2)nn1 1206539854 JVCNYMOXOJHMEN-UHFFFAOYSA-N 320.397 -0.219 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(CC(=O)N(C)CC)C[C@H]1C 1206963740 NBJASEAFFYMOEI-HZSPNIEDSA-N 309.410 -0.061 30 20 DBED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)c1occc1C 1211845396 WFQWCHCUKUMMRK-VXGBXAGGSA-N 320.349 -0.343 30 20 DBED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)C(F)=C(C)C 1212120712 UDWDZIZXHPCLOK-GHMZBOCLSA-N 312.345 -0.295 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)CCn1c(C)csc1=O 1212405955 GICIXEZYAUVPQQ-VXGBXAGGSA-N 324.406 -0.053 30 20 DBED CC(=O)N[C@@H]1CN(CC(=O)NCC#Cc2ccccc2)C[C@@H]1O 1219082408 SZMQCUVRZYGYBM-CVEARBPZSA-N 315.373 -0.665 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@H](CC)OCC)C1 1219302692 SOEUEGFGOYMUDE-AGIUHOORSA-N 313.398 -0.735 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(Cc2nc(C(C)C)n[nH]2)C[C@@H]1O 1219362337 WMWBRRWKKVEXDU-NEPJUHHUSA-N 323.397 -0.208 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@H](C)NC(=O)c2cccs2)C1 1220101999 JLBSXPMGNKSPOP-TUAOUCFPSA-N 321.402 -0.339 30 20 DBED C=C(C)C(C)(C)C(=O)N[C@@H]1CN(Cc2nnnn2C)C[C@@H]1O 1220123765 MGZJXRBHSMIBKK-MNOVXSKESA-N 308.386 -0.526 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)CS(=O)(=O)C(C)(C)C)C1 1220759546 DTKWQNNASWKCJV-NEPJUHHUSA-N 316.423 -0.616 30 20 DBED COCC#CCN1CC[C@@H]2CN(C(=O)CCNC(N)=O)[C@@H]2C1 1222004173 YJEOPZKFGAHHLV-CHWSQXEVSA-N 308.382 -0.773 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)Cn2ccnc2)C1 1222097754 FKJSOMXREFWCQP-CYBMUJFWSA-N 303.366 -0.787 30 20 DBED CN1CCC[C@H]1C(=O)NC1CCN(CC(=O)NCC#N)CC1 1226608889 YOSNIWLZSZSEIP-ZDUSSCGKSA-N 307.398 -0.699 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)NC1CCN(CC(=O)NC)CC1 1229485985 LUHRMPRFHDVUNT-CQSZACIVSA-N 324.425 -0.216 30 20 DBED C=C(C)CN1CCC(NC(=O)CNC(=O)Cn2cncn2)CC1 1230349169 LVUWZZOYVVGPIL-UHFFFAOYSA-N 320.397 -0.449 30 20 DBED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1cccc(C(N)=O)c1 1256559935 IOMKZVKJAFELCG-GFCCVEGCSA-N 303.318 -0.386 30 20 DBED C=CCCCNC(=O)C(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 1261166484 OMNPNQBJHNHLPZ-LLVKDONJSA-N 317.411 -0.534 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@@H](NC(=O)c2ccnc(O)c2)C1 1318326479 PNRAFYHWMBVYJQ-WCQYABFASA-N 316.361 -0.271 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(F)c(C(N)=O)c2)CCO1 1318367544 AXFBMYAPQCLJAX-VIFPVBQESA-N 320.280 -0.386 30 20 DBED O=S1(=O)CC[C@H](NN=Cc2cn(Cc3cccnc3)nn2)C1 1320307764 JTPMGZBWVKVDBN-LBPRGKRZSA-N 320.378 -0.168 30 20 DBED C#C[C@@H](CC)NC(=O)C(=O)Nc1cccc(S(N)(=O)=O)c1 1320735672 VEKFHRZKUNOPRS-VIFPVBQESA-N 309.347 -0.200 30 20 DBED C=CCNC(=O)[C@@H](C)OC(=O)c1cn(Cc2noc(C)n2)nn1 1322215339 ZUWUPXFEQDYGGE-MRVPVSSYSA-N 320.309 -0.135 30 20 DBED CS(=O)(=O)c1cccc(NN=C2C(=O)NC(=O)NC2=O)c1 1324214946 VUGHDTCWDKIWHK-UHFFFAOYSA-N 310.291 -0.776 30 20 DBED C=CCn1cc(CNC(=O)C(=O)NCC2(C)CCNCC2)nn1 1325864989 YZBCNCAUTFVGBV-UHFFFAOYSA-N 320.397 -0.414 30 20 DBED C[C@@]1(c2cnccn2)NC(=O)N(CC(=O)NCCC#N)C1=O 1329447806 SZNGAEHWSGJGQR-ZDUSSCGKSA-N 302.294 -0.727 30 20 DBED C#CC1CCN(C(=O)C(=O)N2C[C@H](C)O[C@H](C(=O)OC)C2)CC1 1329711448 COJNFQQHMAXQCR-AAEUAGOBSA-N 322.361 -0.353 30 20 DBED COCCN1CCN(C(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)CC1 1332057963 FDJYZQGPKAWZRK-QWHCGFSZSA-N 308.382 -0.415 30 20 DBED C[C@H]1C[C@H](NC(=O)C(=O)N2CC[C@](O)(CC#N)C2)C[C@@H](C)O1 1345868029 JOCYWIJGTOSNDL-NWJSVONSSA-N 309.366 -0.064 30 20 DBED C#CCN(C)CCCNC(=O)N[C@@H](C)[C@@H]1CN(C)CCN1C 1346373495 GHIPIXQZNRNAAV-GJZGRUSLSA-N 309.458 -0.125 30 20 DBED C[C@H](N)[C@H]1CCN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1 1348715433 WTLFTTKHUKCDQU-OBJOEFQTSA-N 319.409 -0.619 30 20 DBED Cc1ccc(CNC(=O)Cn2cc(C#N)c(O)nc2=O)n1C 1362005980 WOMPHVVJBUNEQK-UHFFFAOYSA-N 301.306 -0.216 30 20 DBED CCOC1CC(C(=O)NCCn2cc(C#N)c(O)nc2=O)C1 1363288685 SFRBSCWTTPOQIE-UHFFFAOYSA-N 306.322 -0.248 30 20 DBED N#Cc1ccc([C@H](C(N)=O)N2CCn3c(CO)nnc3C2)cc1 1365272030 MCYRRAYIWYDYBK-CQSZACIVSA-N 312.333 -0.316 30 20 DBED Cc1noc(C2CN(C(=O)NCCn3cnc(C#N)n3)C2)n1 1365586442 JHEQRWFUVRZIMR-UHFFFAOYSA-N 302.298 -0.350 30 20 DBED N#C[C@H]1CN(S(=O)(=O)NCC2(C#N)CCOCC2)CCO1 1365748104 REPATZAJRYXMMX-NSHDSACASA-N 314.367 -0.634 30 20 DBED CCCN(CCNC(=O)[C@@H](C)C#N)C(=O)[C@H]1CN(C)CCO1 1374164910 ACEWPFLAOOYYGK-QWHCGFSZSA-N 310.398 -0.169 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)COCC2CC2)C1 1380123660 OISDMUAKEZXRJX-IAQYHMDHSA-N 309.366 -0.348 30 20 DBED CCOCC(=O)N[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1O 1384803236 LMTALGBLXSWETQ-NEPJUHHUSA-N 306.322 -0.776 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CCN(C(=O)COCc2ccnn2C)C1 1385170203 WYZUPEBUZRFZIX-NWDGAFQWSA-N 319.365 -0.187 30 20 DBED C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)[C@@H]1CCC(=O)N1 1386712511 JLDKMNYXSRTMHF-WPRPVWTQSA-N 303.322 -0.601 30 20 DBED C[C@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)[C@H]1CC(=O)N(C)C1 1386713580 KQCLQJMQUFAYSG-KOLCDFICSA-N 317.349 -0.401 30 20 DBED CCN(CCC#N)C(=O)CN[C@@H](C)CNC(=O)c1cnn(C)c1 1390301373 UHGOSUFUHBXCQI-LBPRGKRZSA-N 320.397 -0.110 30 20 DBED C[C@H](CNC(=O)CNC(=O)C1CC1)NC(=O)c1cc(C#N)c[nH]1 1392275321 KDUGTRQESLABTO-SECBINFHSA-N 317.349 -0.353 30 20 DBED C[C@@H](CNC(=O)c1cnnn1C)NC(=O)c1ccc(C#N)[nH]1 1392755267 FGDAYKMRSNNOEN-QMMMGPOBSA-N 301.310 -0.437 30 20 DBED C[C@@H](C#N)C(=O)NC1CCN(C(=O)C[C@@H]2CCC(=O)N2)CC1 1396831513 HLNILYXIPWRJMZ-JQWIXIFHSA-N 306.366 -0.078 30 20 DBED CCS(=O)(=O)CC(=O)N1CCC[C@H](NC(=O)[C@@H](C)C#N)C1 1398521656 SOEFZBJFVKGUOJ-QWRGUYRKSA-N 315.395 -0.312 30 20 DBED C=C(Cl)CN1CC[C@@H](NC(=O)CCS(=O)(=O)NC)C1 1400652965 JVDHZDQVEPFRPL-SNVBAGLBSA-N 309.819 -0.131 30 20 DBED Cc1nc(CC(=O)N2CCC[C@H](NC(=O)[C@H](C)C#N)C2)n[nH]1 1407388649 RJXHTHBIZGDWRL-KOLCDFICSA-N 304.354 -0.078 30 20 DBED N#Cc1cn(CCC(=O)NCCN2CCCCC2)c(=O)nc1O 1412424139 QBRFFDDTVGWNRG-UHFFFAOYSA-N 319.365 -0.187 30 20 DBED CC[C@@]1(O)CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)C1 1417723727 XSXNJLKKAHOCST-CQSZACIVSA-N 306.322 -0.416 30 20 DBED CCn1cc(C(=O)NCCn2cc(C#N)c(O)nc2=O)cn1 1418530173 YCQVWRPDDSMPSV-UHFFFAOYSA-N 302.294 -0.533 30 20 DBED Cc1nc(CN2CCN(CCN(C)C(=O)[C@H](C)C#N)CC2)n[nH]1 1418912780 LAXSCTLRSHQEOJ-GFCCVEGCSA-N 319.413 -0.151 30 20 DBED Cc1nc(CC(=O)NC[C@H](C)NC(=O)c2ccc(C#N)[nH]2)n[nH]1 1430522884 TXQLYGOCUVRRDL-QMMMGPOBSA-N 315.337 -0.210 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](C)NC(=O)c1ccnc2c1nnn2C 1430754708 QDGPPRUNZVWSTI-DTWKUNHWSA-N 315.337 -0.243 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1nccc2[nH]ccc12 1433342029 XVYGNODWSSHDQW-ZJUUUORDSA-N 315.333 -0.071 30 20 DBED CNC(=O)Cc1noc(CNC2(CNC(=O)[C@H](C)C#N)CC2)n1 1439597870 OJJPFGVNRSRHIU-SECBINFHSA-N 320.353 -0.744 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](NC(=O)Cn1cnnn1)C(C)(C)C 1444875981 TVKOAAGHZHHYKT-UWVGGRQHSA-N 307.358 -0.520 30 20 DBED CC1(C)OCC(NC(=O)CCn2cc(C#N)c(O)nc2=O)CO1 1447508369 DNNWIZQVKIZCMT-UHFFFAOYSA-N 322.321 -0.522 30 20 DBED N#Cc1ccc(OCC(=O)NC[C@]2(O)CCS(=O)(=O)C2)cc1 1449706492 YVBGKYIXQLHBFL-CQSZACIVSA-N 324.358 -0.397 30 20 DBED CCN(C(=O)Cc1nc[nH]n1)[C@@H]1CCN(C(=O)[C@H](C)C#N)C1 1450799988 RVCAWBBNXOLVDZ-GHMZBOCLSA-N 304.354 -0.044 30 20 DBED Cc1ncoc1C(=O)NC[C@@]1(O)CCN(C(=O)[C@@H](C)C#N)C1 1454077182 QBISTRHEWIGYNA-XPTSAGLGSA-N 306.322 -0.164 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)CCc1ccc(O)nc1 1458028141 WPUSMWLNWYBLPC-JQWIXIFHSA-N 320.349 -0.527 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N1CCN(c2nc[nH]n2)CC1 1464448433 FHTHLYJFDOJCAF-SNVBAGLBSA-N 313.387 -0.595 30 20 DBED CC(C)n1ccc(C(=O)N2CC[C@H](NCC(=O)NCC#N)C2)n1 1480117288 ULSNEIMFQGQIMD-LBPRGKRZSA-N 318.381 -0.092 30 20 DBED C[C@@H](CC(N)=O)C(=O)NC[C@@H](O)CNCc1ccc(C#N)s1 1482757825 RBIWDPHAACZVKB-UWVGGRQHSA-N 324.406 -0.302 30 20 DBED CCc1nc(C#N)cc(N2CCN3CCOC[C@@]3(CO)C2)n1 1548525073 RZMKEQBSZZAMIK-HNNXBMFYSA-N 303.366 -0.206 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](Nc2nccnc2-c2nn[nH]n2)C1 1573565286 PTQOHRXPIVZECC-IUCAKERBSA-N 313.325 -0.171 30 20 DBED C[C@H](OCc1cnn[nH]1)C(=O)NC1(CNCC#N)CCOCC1 1575845763 YDCAZMNRJMKZRI-NSHDSACASA-N 322.369 -0.512 30 20 DBED N#Cc1nc(N2CCC[C@H]2C2OCCO2)cnc1-c1nn[nH]n1 1581879746 WLYKXAFYWIWBRS-VIFPVBQESA-N 314.309 -0.130 30 20 DBED C#CC[C@H](NS(=O)(=O)c1cc(C(=O)O)cn1C)C(=O)OC 1588423594 MANQXELMESVZRN-VIFPVBQESA-N 314.319 -0.434 30 20 DBED C#CCN(CC(=O)O)c1nnnn1CCOC1CCOCC1 1588427286 SEIUXHVSNATOIE-UHFFFAOYSA-N 309.326 -0.607 30 20 DBED C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H](C#N)C2)C[C@@H](C(=O)O)O1 1599910590 ZWEKNLCENIVHED-DCAQKATOSA-N 309.322 -0.551 30 20 DBED C#C[C@H](NC(=O)N1C[C@@H](O)C[C@@H](C(=O)O)C1)C1CCOCC1 1602674856 WUZNWKUQEXWARS-AGIUHOORSA-N 310.350 -0.108 30 20 DBED N#CCCN1CCN(C(=O)NC[C@H]2CCO[C@H]2C(=O)O)CC1 1608184915 ZVARJCMEPSGPKD-VXGBXAGGSA-N 310.354 -0.283 30 20 DBED CNC(=O)CNC(=S)NN=C1CCN(CCC(=O)O)CC1 1610140521 ZZHNJQIMULPIGJ-UHFFFAOYSA-N 315.399 -0.877 30 20 DBED Cc1cccc(NC(=O)C(=O)NC[C@@](C)(O)C(=O)O)c1C#N 1611199045 WFDVZPIVXPHRGJ-CQSZACIVSA-N 305.290 -0.243 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)NCC1CCS(=O)(=O)CC1 1647179808 PGMHBZKNBTWDOD-SNVBAGLBSA-N 323.440 -0.263 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC[C@H](NC(=O)Cn2ccnc2)C1 1698549235 KVKGPJVNVQDYKL-OLZOCXBDSA-N 305.382 -0.236 30 20 DBED C=CCNC(=O)[C@H](C)N(C)CCCNC(=O)[C@]1(C)CCNC1=O 1752060254 OGOKFSQEJMXAQT-LRDDRELGSA-N 324.425 -0.359 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C1CCN(Cc2nnnn2C)CC1 1752300188 VPCCFMWQBBPJGP-GFCCVEGCSA-N 320.397 -0.329 30 20 DBED C=CCNC(=O)[C@H](C)N[C@H]1C[C@H](NC(=O)Cc2ccn(C)n2)C1 1752629351 UKXQQGWFAOYKEO-UBHSHLNASA-N 319.409 -0.110 30 20 DBED Cc1c(CC(=O)NC[C@@H](C)NCC(=O)NCC#N)cnn1C 1752880531 UXNMOKWPDIPKAZ-SNVBAGLBSA-N 306.370 -0.995 30 20 DBED N#CCNCCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CCCO2)C1 1752923688 FYEJSTWEDUXDKH-OLZOCXBDSA-N 308.382 -0.367 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@@H]1CCN(CCN2C(=O)CNC2=O)C1 1753432786 VYTCYSOSQQFMQW-GHMZBOCLSA-N 307.354 -0.769 30 20 DBED CC[C@H](CNC(=O)CSCC#N)N[C@H]1CCC(=O)NC1=O 1753466547 KXAOCUGVMYBCHQ-ZJUUUORDSA-N 312.395 -0.467 30 20 DBED C=C(C)CNC1(CNC(=O)c2cn(CC(N)=O)nn2)CCCC1 1753670957 OSTNYGSRZDMXIN-UHFFFAOYSA-N 320.397 -0.028 30 20 DBED C=C(C)CN(CC)C(=O)CNC[C@H]1CCC[C@@H]1NC(=O)C(N)=O 1753896846 YBPHKWJOOBEMJO-OLZOCXBDSA-N 324.425 -0.229 30 20 DBED C=CCNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)c1cncc(F)c1 1753908948 PQPNMKBLJYUQAJ-ZWNOBZJWSA-N 324.356 -0.408 30 20 DBED C=CCCCNC[C@@H](O)CNC(=O)[C@@H]1CCCN(C(N)=O)C1 1753918507 NZDGRVCRUHXGFF-CHWSQXEVSA-N 312.414 -0.190 30 20 DBED C=CCNC[C@@H](O)CNC(=O)c1ccc(-n2ccnc2)nn1 1753931677 YJHNAOPDJPHZEQ-LLVKDONJSA-N 302.338 -0.471 30 20 DBED CC#CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)CCn1cc[nH]c(=O)c1=O 1754428945 BPQXHHMBCVMBNB-DYEKYZERSA-N 316.361 -0.861 30 20 DBED C=CCN1CCOC[C@@H]1CNC(=O)Cn1nnnc1C(C)C 1754973108 WJLIRYVMNICOAK-LBPRGKRZSA-N 308.386 -0.201 30 20 DBED N#CCNC(=O)CNC[C@@H]1CN(C(=O)c2cc(F)c[nH]2)CCO1 1755004456 BKXNQOVOFVFAPW-LLVKDONJSA-N 323.328 -0.776 30 20 DBED CC#CCN(C)C1CCN(C(=O)c2cn(CC(N)=O)nn2)CC1 1755536158 JARXNJQZAVDTRW-UHFFFAOYSA-N 318.381 -0.677 30 20 DBED C[C@@H](NC[C@@H](O)CN(C)C(=O)C#CC(C)(C)C)C(=O)N(C)C 1755779083 COPFHRAVRBKHBR-CHWSQXEVSA-N 311.426 -0.079 30 20 DBED C#Cc1ccc(C(=O)NC[C@H](C)N(C)C(=O)CC(N)=O)nc1 1756050894 ASRIKBUWUQAJBH-JTQLQIEISA-N 302.334 -0.485 30 20 DBED C=CCOCC(=O)N[C@H](CO)CNC(=O)c1ccc(C)n1C 1756503281 DTHICUAEOYEVJA-LBPRGKRZSA-N 309.366 -0.257 30 20 DBED C=C[C@](C)(CC)C(=O)NC[C@H](O)CN(C)C(=O)Cn1cncn1 1756680215 VPKIOYIUNPVBPC-SWLSCSKDSA-N 323.397 -0.184 30 20 DBED O=C(C#CC1CC1)NC[C@H]1C[C@@H](NC(=O)Cn2cncn2)C1 1757318330 WUCKJSGLNRDLDT-BETUJISGSA-N 301.350 -0.298 30 20 DBED C#CCOCCC(=O)N1CC[C@H](NC(=O)CC2CC2)[C@H](O)C1 1757558780 GNHNLUQYGLDQEH-UONOGXRCSA-N 308.378 -0.096 30 20 DBED CC(C)(NS(=O)(=O)CCOC1(C#N)CCOCC1)C(=O)O 1776296912 IZWDNDHIMFAKNU-UHFFFAOYSA-N 320.367 -0.142 30 20 DBED C[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC#N)C[C@@H]21 1791049178 CILWFNWVLVSKFY-CYDGBPFRSA-N 309.366 -0.349 30 20 DBED Cn1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CC#N)cn1 1795078167 VDEZRDOMUMTCCY-DABQJJPHSA-N 317.349 -0.463 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)C(OC)OC)C2 1841598424 IUJLHWCULACHGU-LBPRGKRZSA-N 324.377 -0.153 30 20 DBED C#CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1nc(C)c(C)[nH]c1=O 1848322565 MMHXTBKXVUEZHF-RYUDHWBXSA-N 314.345 -0.165 30 20 DBED CNC(=O)COC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 22613059 GHDCXGCZCDEPDN-UHFFFAOYSA-N 311.319 -0.874 30 20 DBED N#Cc1ccc(CN2CCN(CC(=O)NC(N)=O)CC2)cc1 23258281 ZVXCHOMOTOYIHF-UHFFFAOYSA-N 301.350 -0.129 30 20 DBED Cc1nc(C#N)c(N2CCN(C(=O)CN(C)CCO)CC2)o1 123989792 WGILSQZSAQULDK-UHFFFAOYSA-N 307.354 -0.573 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N1CCN(c2cnn(C)c2)CC1 174901785 IYPMWERJVSMPOV-GFCCVEGCSA-N 320.397 -0.058 30 20 DBED Cn1cnc2c1c(=O)n(CC(=O)OC(C)(C)C#N)c(=O)n2C 181829013 FRKSVHSBTFOULM-UHFFFAOYSA-N 305.294 -0.721 30 20 DBED C/N=C(/NCCN1C(=O)CNC1=O)N1CC[C@]2(CCOC2)C1 261658946 ALVYGUIITSEKDC-AWEZNQCLSA-N 309.370 -0.774 30 20 DBED CCN(CC#N)C(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 266236679 DGLXHHRJPLRFLO-FPQZTECRSA-N 305.334 -0.089 30 20 DBED C[C@@H]1C(=O)NCCN1C(=O)C(=O)N(C)Cc1ccc(C#N)cc1 298773184 QVHATCSHROOOET-LLVKDONJSA-N 314.345 -0.136 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C)Cn2cccn2)C1=O 299536914 OGXPBRWJDGTOGC-SNVBAGLBSA-N 319.321 -0.635 30 20 DBED CCN1CCN(C/C(O)=N/[C@H]2CCC(=O)N(C)C2)C(=O)C1=O 329464486 UPQLDJFDTWYEQZ-JTQLQIEISA-N 310.354 -0.746 30 20 DBED C[C@H](O)CN1CCN(/C(O)=N/C[C@@H]2COCCO2)C[C@H]1C 329771221 GQUFXGBPMGYSEX-FRRDWIJNSA-N 301.387 -0.297 30 20 DBED COC/C(O)=N/C1CN(/C(O)=N/C[C@@H]2CN(C)CCN2C)C1 330068995 GUNDOAWTWCGELV-GFCCVEGCSA-N 313.402 -0.567 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1CCN(C(C)=O)CC1 330381266 VTUFHSGLJFKIPN-UHFFFAOYSA-N 318.399 -0.743 30 20 DBED CCS(=O)(=O)C[C@H](C)/N=C(/O)N1CCC[C@@H]1C(=O)NC 330439992 TZSBDCIATQJIRM-VHSXEESVSA-N 305.400 -0.066 30 20 DBED CNS(=O)(=O)C[C@@H]1CCCN1[C@H](C)C(=O)N(C)CCC#N 331186459 UAHIPMJEQAEKAC-NEPJUHHUSA-N 316.427 -0.239 30 20 DBED N#C[C@H]1COCCN1C(=O)CNC(=O)c1ccc2c(c1)OCO2 332095363 PIAYEZDZAGUBNM-NSHDSACASA-N 317.301 -0.104 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H](C)CS(C)(=O)=O 332450631 GMRPKNVWVTVKDF-ZJUUUORDSA-N 311.429 -0.265 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC[C@@H](S(N)(=O)=O)C1 336956877 ZYRXSGZTJNQJPX-VHSXEESVSA-N 324.428 -0.924 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CCC[C@@H](C(=O)NC)C1 337054702 AONMPAQXGADQNC-LLVKDONJSA-N 302.400 -0.075 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCCN([C@H](C)CO)CC1 337174260 HUVPTDNJRCXYAM-QWHCGFSZSA-N 318.443 -0.289 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N[C@@H]2C[C@H]3OCCC[C@@H]23)CCO1 337179731 LSFBZAFSUCXJLB-WRWGMCAJSA-N 301.368 -0.387 30 20 DBED C[C@H](CC#N)NC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 338082167 ROXAUNURLJCAQB-OLZOCXBDSA-N 308.382 -0.415 30 20 DBED CC[C@H](O)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N 341439622 YVYCXKRIXRGBOQ-JTQLQIEISA-N 307.354 0.335 30 20 DBED CO[C@H]1CN(CC#CCN2C[C@@H](OC)[C@H](OC)C2)C[C@H]1OC 342127253 KKISPJSORPNZTC-FPCVCCKLSA-N 312.410 -0.319 30 20 DBED N#CCNC(=O)CNC(=O)c1ccccc1N1CCOCC1 344170887 CPCWCAMHAPIVAN-UHFFFAOYSA-N 302.334 -0.107 30 20 DBED CN(C(=O)CNC(=O)NCC(=O)NCC#N)C1CCCCC1 345120553 RWDFIOXGPXLGQD-UHFFFAOYSA-N 309.370 -0.284 30 20 DBED COC[C@](C)(C#N)NC(=O)c1nc(S(C)(=O)=O)ncc1C 362538053 PVRCKZVVXLTZNA-LBPRGKRZSA-N 312.351 -0.153 30 20 DBED CS(=O)(=O)N1CCC[C@H](NC(=O)C2(C#N)CCOCC2)C1 400244983 YTUJDJYUUFSACM-NSHDSACASA-N 315.395 -0.153 30 20 DBED CC(C)[C@@H](C(=O)N1CCO[C@@H](C#N)C1)N1CCCS1(=O)=O 408080538 NIAUPJDSMVLEDW-RYUDHWBXSA-N 315.395 -0.203 30 20 DBED C=CCOC[C@@H](NC(=O)CCS(=O)(=O)N(C)C)C(=O)OC 435944073 QYBZMOSBRAFBHA-SNVBAGLBSA-N 322.383 -0.872 30 20 DBED COC(=O)[C@H](O)C1CCN(S(=O)(=O)CCCC#N)CC1 443495725 WKDNAEPMMMWNTQ-LLVKDONJSA-N 304.368 -0.134 30 20 DBED C#CCN(C)CCCNC(=O)C(=O)Nc1ccc(=O)n(C)c1 491126750 RSPXZFJCWMNWRV-UHFFFAOYSA-N 304.350 -0.605 30 20 DBED C#C[C@H](C)N(C)Cn1c(=O)n(CC=C)c(=O)n(CC=C)c1=O 491786329 SVGTXYWZNQPQAC-LBPRGKRZSA-N 304.350 -0.545 30 20 DBED C#CCNC(=O)CN1CCN(C[C@H]2CC3(CCC3)C(=O)O2)CC1 491813478 ATDLCRGXGVYOBA-CQSZACIVSA-N 319.405 -0.161 30 20 DBED COc1cc(C#N)ccc1NC(=O)C(=O)N(C)[C@H]1CCNC1=O 525907302 XLMOKZWNUOVHQM-NSHDSACASA-N 316.317 -0.148 30 20 DBED C[C@H]1CN(c2nccnc2C#N)CCN1c1nccn2nnnc12 531543995 ISGDQWHYMAFCJW-JTQLQIEISA-N 322.336 -0.104 30 20 DBED CCN1CCN(CC(=O)Nc2cc(CC#N)ccn2)C(=O)C1=O 531928601 VCSYQPYANSEPFQ-UHFFFAOYSA-N 315.333 -0.223 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)NCCN2CC=CCC2)CCO1 554540325 IOMCZHLPTLIYLZ-GFCCVEGCSA-N 300.384 -0.693 30 20 DBED CCC[C@@H](O)[C@@H](CO)NC(=O)C(=O)Nc1cccc(C#N)n1 563104747 WPAQAWAGTWAXBM-GHMZBOCLSA-N 306.322 -0.470 30 20 DBED COC(=O)CN(CCN1CCOCC1)c1cc(C#N)ncn1 579309329 ITMRTJGVIZMQMT-UHFFFAOYSA-N 305.338 -0.340 30 20 DBED C[C@@H]1CN(C(=O)NCC(=O)NCC#N)C[C@@H](C(F)(F)F)O1 588746497 JFSFRQLDYIVGRK-SFYZADRCSA-N 308.260 -0.013 30 20 DBED CCCN1CC[C@H](NS(=O)(=O)N2CCO[C@@H](C#N)C2)C1 595353328 FKHHTBHYACMZPG-RYUDHWBXSA-N 302.400 -0.471 30 20 DBED CN(C)C(=O)Cn1cnc(NC(=O)N2CCC[C@@H](CC#N)C2)n1 596768916 CAJQQIUTCDNCBD-NSHDSACASA-N 319.369 0.524 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N1CCc2cnc(N)nc2C1 598946140 CVHMZSIIGYBCCD-SECBINFHSA-N 304.354 -0.183 30 20 DBED C[C@H]1CC[C@@H](CNC(=O)C(=O)N2CCN(CCC#N)CC2)O1 602277922 HUXNMVFYYWXBSI-STQMWFEESA-N 308.382 -0.272 30 20 DBED N#CCC1(CN2CCN(C(=O)C(=O)N3CCOCC3)CC2)CC1 602758067 IWGAJFNZNCBAIH-UHFFFAOYSA-N 320.393 -0.317 30 20 DBED CC(C)C[C@@H](C#N)NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 611466307 FYSXYZFXCQDSGL-VIFPVBQESA-N 314.367 -0.699 30 20 DBED C=C[C@@H](O)C(=O)N(CCN(CC)CC)[C@H]1CCS(=O)(=O)C1 613013167 YIHTZEYRSWZMNJ-QWHCGFSZSA-N 318.439 -0.109 30 20 DBED C=C[C@H](O)C(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F 614693539 OYSQQFPDYTUBDL-NKWVEPMBSA-N 304.290 -0.528 30 20 DBED COCCN(CCC#N)S(=O)(=O)N(C)C[C@@H](O)C1CC1 619712699 GZWNUONFAABRPJ-GFCCVEGCSA-N 305.400 -0.204 30 20 DBED C#Cc1ccc(C(=O)N2CCNC(=O)[C@@H]2CC(=O)OC)nc1 728861919 RSVFBGCJABCVGL-LBPRGKRZSA-N 301.302 -0.433 30 20 DBED C#CCOc1ccc(NC(=O)C(=O)NC[C@@H](O)COC)cc1 735591535 DODSLZPYWCGMDX-GFCCVEGCSA-N 306.318 -0.239 30 20 DBED N#CCCCCS(=O)(=O)N1CCNC(=O)[C@H]1CC(=O)O 739069239 OEYYBLOHUQPPNU-SECBINFHSA-N 303.340 -0.715 30 20 DBED C#C[C@H](NC(=O)N1CCN(S(C)(=O)=O)CC1)[C@H]1CCCO1 773563104 VOFCDANUYLYVQG-NWDGAFQWSA-N 315.395 -0.546 30 20 DBED C=CCOCCOC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 797307197 YECVPIXOMOCOSM-UHFFFAOYSA-N 319.317 -0.008 30 20 DBED C#CCC[C@H](O)CNS(=O)(=O)c1c[nH]c(C(=O)OC)c1 798487694 WVMOUCOGDBZJTM-VIFPVBQESA-N 300.336 -0.146 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)O[C@H]2CCC(=O)NC2=O)cc1 798609884 PCLXMQRDRAWKQR-NSHDSACASA-N 315.285 -0.364 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1C[C@@H]2C[C@@]2(CO)C1 800122581 LSIQMYZTVCZVRB-RYUDHWBXSA-N 303.384 -0.593 30 20 DBED N#Cc1ncn(CCNC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)n1 805075450 XSVGOTRLWSKXNZ-VXGBXAGGSA-N 319.369 -0.688 30 20 DBED N#CCCn1ccc(NC(=O)C(=O)N2CCO[C@H](C(=O)O)C2)n1 819090866 IQTVLCZCMNHIHD-VIFPVBQESA-N 321.293 -0.953 30 20 DBED C#CCO[C@H](C)C(=O)OCC(=O)NC(=O)N[C@H](C)COC 837853503 WFNINHDPTNWJDU-NXEZZACHSA-N 300.311 -0.571 30 20 DBED C#CCNS(=O)(=O)N1CCN([C@@H](C)c2nccc(N)n2)CC1 846837536 OLNZSLAIZDILQE-NSHDSACASA-N 324.410 -0.795 30 20 DBED C#CCNS(=O)(=O)N1CCN([C@@H]2CC[C@H](OC)C2)CC1 851873523 CCUVFXNFCUFDHV-OLZOCXBDSA-N 301.412 -0.361 30 20 DBED C#C[C@H](NC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1OC)[C@@H]1CCCO1 852259140 DSQZEILXZXBGCM-WHOHXGKFSA-N 316.379 -0.722 30 20 DBED Cc1cnn(C)c1/C=C\C(=O)c1c(O)n(C)c(=O)n(C)c1=O 876498430 YXLNMQYDJJEUDX-WAYWQWQTSA-N 304.306 -0.272 30 20 DBED C#CCNS(=O)(=O)N1CCN(C[C@H]2CCO[C@H]2C)CC1 878314218 LUENLGSKSYSOJT-QWHCGFSZSA-N 301.412 -0.503 30 20 DBED C#CCNS(=O)(=O)N1CCN(Cc2ccc(O)nc2)CC1 895918864 PHFOPAIMEQRLQL-UHFFFAOYSA-N 310.379 -0.628 30 20 DBED C=CCNC(=O)[C@H](C#N)C(=O)Cn1nnc2ccccc2c1=O 916918080 PPPMUOFWHSMOHG-LLVKDONJSA-N 311.301 -0.197 30 20 DBED CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)N1CCC[C@H](C#N)C1 923245445 GJGZRLBYZDISJM-GMTAPVOTSA-N 301.368 -0.256 30 20 DBED C#CCN1CCC[C@H](NC(=O)[C@H](NC(=O)C2CC2)[C@H](C)O)C1 923562609 AXRDIZSCSKVUBT-FPMFFAJLSA-N 307.394 -0.524 30 20 DBED CCN(C[C@H](C)C#N)C(=O)COC(=O)[C@@H]1CSCC(=O)N1 923933628 OBZWYDCRNCVWGD-ZJUUUORDSA-N 313.379 -0.231 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CCn1cncn1 936407022 YQJSKPHCMIDJIS-WOPDTQHZSA-N 302.338 -0.360 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 942450053 BYGDAOIANAUWFI-UTUOFQBUSA-N 321.377 -0.440 30 20 DBED N#Cc1cc(C(=O)N2CCC3(CC2)CN(C(=O)C(N)=O)C3)c[nH]1 944917840 DRGWULAQMSRLHW-UHFFFAOYSA-N 315.333 -0.564 30 20 DBED Cn1nnc(C(=O)N2CC[C@H]2CNC(=O)c2ccc(C#N)[nH]2)n1 949448704 GUEFMFPPTWWJES-VIFPVBQESA-N 314.309 -0.946 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@]2(CCN(C(=O)C(N)=O)C2)C1 953209255 HSSDLVXCOPQZRV-WQGACYEGSA-N 321.377 -0.486 30 20 DBED C[C@@H](C#N)C(=O)N1CC(N(C)C(=O)[C@H]2CCc3nn[nH]c3C2)C1 954831162 IMQHUMZGQHUXEP-UWVGGRQHSA-N 316.365 -0.262 30 20 DBED C=CCN1C[C@H](CNC(=O)c2nc3nccc(C)n3n2)[C@@H](O)C1 958644389 JIGZRQSMFCQIKQ-RYUDHWBXSA-N 316.365 -0.359 30 20 DBED C#Cc1ccc(C(=O)N(C)[C@H]2CN(C(=O)COC)C[C@@H]2O)cn1 958907599 GUWVLFYMPIPQPJ-KBPBESRZSA-N 317.345 -0.647 30 20 DBED C#CCN1C[C@H]2C(NC(=O)Cn3nc4ccccn4c3=O)[C@@H]2C1 961413073 QKWUOUGVJCUKNL-VXGBXAGGSA-N 311.345 -0.824 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)c2ccnc(F)c2)C1 961817357 HKKJDBWSHBMENM-GDPRMGEGSA-N 306.297 -0.318 30 20 DBED Cc1nc(C)c(CC(=O)NC2[C@@H]3CN(CC#N)C[C@@H]23)c(O)n1 962542826 HLKQIEQKGODBMR-VXGBXAGGSA-N 301.350 -0.088 30 20 DBED C[C@H](C#N)C(=O)N1CCOC2(CN(C(=O)[C@H]3CCN(C)C3)C2)C1 965469221 XBBWBCDHWMPPRE-OLZOCXBDSA-N 320.393 -0.462 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(C2CN(C(C)=O)C2)CC1 967256469 XQHIBKSNCFJWBV-CABCVRRESA-N 307.394 -0.048 30 20 DBED Cn1cncc1CC(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 969074097 YOJDYVJTWGYYNW-KGLIPLIRSA-N 316.361 -0.936 30 20 DBED Cc1cc2[nH]c(=O)c(C(=O)N3CC[C@@H](NCC#N)C3)cn2n1 970261505 HXPDNSBZONALKD-SNVBAGLBSA-N 300.322 -0.341 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)c3cn(C)nn3)C[C@@H]2O)C1 970395225 ULXWANFYVUSFTA-PWSUYJOCSA-N 319.365 -0.527 30 20 DBED N#Cc1ccc(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@@H]3CC34CC4)C2)[nH]1 970917680 RQNCNSYIULNWDD-UHTWSYAYSA-N 314.345 -0.012 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)c3cncnc3O)C2)C1 972428493 KZBPLVUQCYCDOA-OAHLLOKOSA-N 302.334 -0.268 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)C[C@H]3CCNC3=O)[C@H]2C1 976644202 UAOFCBLZMNLCGB-YFVNTRNASA-N 304.350 -0.755 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)c3cc(=O)n(C)cn3)[C@H]2C1 976746699 GIBHKXDEHYVPOZ-DNJQJEMRSA-N 315.333 -0.873 30 20 DBED C#CCN1C[C@@H]2C(CNC(=O)[C@@H]3Cc4cncn4C(=O)N3)[C@H]2C1 978504512 AJFZYXUUCWFGTK-MCIONIFRSA-N 313.361 -0.707 30 20 DBED N#CCN1CCCC2(C1)CN(C(=O)CC1CS(=O)(=O)C1)C2 981858504 LKNXTXSZLAOXFA-UHFFFAOYSA-N 311.407 -0.131 30 20 DBED CN(C(=O)c1c[nH]c(C#N)c1)[C@@H]1CCCN(C(=O)C(N)=O)C1 984586678 SHRSXPKBYJALIH-LLVKDONJSA-N 303.322 -0.565 30 20 DBED Cc1n[nH]cc1C(=O)N[C@@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1O 991652834 ZLAAYZZZYBHOBY-KGLIPLIRSA-N 316.361 -0.177 30 20 DBED CC#CCN1CCC[C@H](NC(=O)CN2CC(=O)NC2=O)[C@@H]1C 994025447 SGKLWAUMCKIZDO-RYUDHWBXSA-N 306.366 -0.469 30 20 DBED CC1(C)CN(C(=O)CCN2C(=O)CCC2=O)C[C@@H]1NCC#N 996014738 AXXCIGMZMOPBKN-NSHDSACASA-N 306.366 -0.124 30 20 DBED C=CCN1CC[C@@H](N[C@@H]2CN(C(=O)C(N)=O)CC2(C)C)C1=O 996224388 BUPLUIKVMHEUDH-GHMZBOCLSA-N 308.382 -0.915 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CCCN2C)C1 1000005523 OZQHYBAEEXEKOG-RDBSUJKOSA-N 307.394 -0.001 30 20 DBED C#CCCN1CCC(N(C)C(=O)Cn2cnc(C(N)=O)n2)CC1 1005416274 RVVDJZDLJSMHIB-UHFFFAOYSA-N 318.381 -0.677 30 20 DBED O=C(NCC1[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]12)[C@H]1COCCO1 1008804404 AGSKFFRDGCXGFY-SOUVJXGZSA-N 318.373 -0.364 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2CCN(C(=O)CC(N)=O)[C@@H]2C)c1 1011590283 RIQHEQBEJOBUBB-ZWNOBZJWSA-N 314.345 -0.343 30 20 DBED C#Cc1cncc(C(=O)NC[C@@H]2CC[C@@H](NC(=O)C(N)=O)C2)c1 1015552286 PDGAHXNPFVHBGJ-DGCLKSJQSA-N 314.345 -0.437 30 20 DBED C=C(C)CN1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1ncn(C)c1=O 1017686007 HKARBQLWOGKCTR-BETUJISGSA-N 305.382 -0.167 30 20 DBED CC#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CCN(C)C(=O)C1 1017689400 HPXVQBLXGRKLCC-GASCZTMLSA-N 318.421 -0.541 30 20 DBED CC(C)(F)C(=O)N[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1O 1022890163 QRSAZTZUABVHEQ-GHMZBOCLSA-N 308.313 -0.064 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)C2CC(F)(F)C2)C1 1023347890 PVHIAZUNDVVWEV-SZEHBUNVSA-N 301.293 -0.121 30 20 DBED C[C@H](C(=O)NC1CC1)N1CC(NC(=O)c2c[nH]c(C#N)c2)C1 1030236903 UHKGFWQPDKUQCW-SECBINFHSA-N 301.350 -0.033 30 20 DBED C#CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cn([C@H]2CCOC2)nn1 1032722561 YEPFCDKPHNPLEV-AVGNSLFASA-N 301.350 -0.229 30 20 DBED C#CCN1CC[C@H](N(C)C(=O)CN2C(=O)NC(=O)C2(C)C)C1 1033556365 ZZIHUZBRPAAUOJ-NSHDSACASA-N 306.366 -0.517 30 20 DBED C#CCCN1CCO[C@H](CNC(=O)c2cn(CCOC)nn2)C1 1035360227 CELJJBNTVFSAEU-CYBMUJFWSA-N 321.381 -0.622 30 20 DBED CC#CCN1CCO[C@H](CNC(=O)c2cc(OC)ncn2)C1 1035366922 BGHHFSHPRCKHMV-GFCCVEGCSA-N 304.350 -0.061 30 20 DBED N#CCN1CCO[C@H](CNC(=O)[C@@H]2CCCS(=O)(=O)C2)C1 1035532528 YOHZQDNGDVTYCS-VXGBXAGGSA-N 315.395 -0.848 30 20 DBED C=CCN1CC[C@@H]2CN(C(=O)CN3CCOCC3=O)CC[C@H]21 1036738518 IWDORERGHAOKMU-ZIAGYGMSSA-N 307.394 -0.046 30 20 DBED C#CCCN1C[C@H]2C[C@H]1[C@H]2NC(=O)CN1CC(=O)N(C)C1=O 1037675513 VBIUOGXZLWUUAU-SUNKGSAMSA-N 304.350 -0.907 30 20 DBED Cc1c[nH]c(C(=O)N2CC[C@](O)(CNC(=O)C#CC3CC3)C2)n1 1039688634 MMXNIOBPOITGCH-INIZCTEOSA-N 316.361 -0.175 30 20 DBED N#CCN1CCC[C@@]2(CCN(C(=O)Cn3cnnc3O)C2)C1 1040171426 WIMUFOFLYIHNGT-CQSZACIVSA-N 304.354 -0.178 30 20 DBED CCn1cc(C(=O)NC[C@]2(O)CCN(C(=O)[C@H](C)C#N)C2)nn1 1040772474 MEXYUIDCJCHVHS-QMTHXVAHSA-N 320.353 -0.849 30 20 DBED Cc1nc(N2C[C@@H](O)[C@H](NC(=O)c3cn[nH]c3)C2)ccc1C#N 1040925241 ZGFUYGSOPWNUPY-CHWSQXEVSA-N 312.333 -0.036 30 20 DBED N#Cc1nccnc1N1C[C@@H](O)[C@H](NC(=O)Cc2cccnc2)C1 1040989585 DTMZNBOADFAUJE-ZIAGYGMSSA-N 324.344 -0.348 30 20 DBED Cc1cnoc1C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1O 1041152420 JMYOEGZXKRMXCX-GHMZBOCLSA-N 314.305 -0.376 30 20 DBED CO[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1NC(=O)[C@H]1CCCO1 1042749352 WNLXUVDINRGVDH-JHJVBQTASA-N 317.349 -0.153 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@@H](C)CO2)C1 1042937847 LYTAAMUWLMNIDZ-OLZOCXBDSA-N 308.378 -0.240 30 20 DBED C=C(C)C[C@H](C)C(=O)NCC1(O)CN(C(=O)c2cn(C)nn2)C1 1045055387 RBVZFKXMMRFGLN-NSHDSACASA-N 321.381 -0.280 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)c2ccc(O)nc2)C1 1046488739 VFTULVVUQIRHSP-UHFFFAOYSA-N 317.345 -0.106 30 20 DBED C#CCCN1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 1046968600 KKCSBVCEXTYKTN-QWRGUYRKSA-N 314.336 -0.236 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)C2CCC(C(N)=O)CC2)C1 1047437573 VNZIJWFPPRQDGI-HOAMVYINSA-N 307.394 -0.585 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CN(C(C)C)CCO2)C1 1047499580 NGIVWGQWKZFAFH-SOUVJXGZSA-N 309.410 -0.768 30 20 DBED C#CCOCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)OC)C1 1048433256 RJEKFHSEPCEHNI-AVGNSLFASA-N 312.366 -0.909 30 20 DBED C=CCCC(=O)N(C)[C@H]1CN(C(=O)[C@H](C)CC(N)=O)C[C@@H]1O 1048539100 BGSOFFQAYAXDHN-WOPDTQHZSA-N 311.382 -0.506 30 20 DBED CCn1cc(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)C#N)C2)cn1 1049388742 PXDOJRVNBYAAME-WXHSDQCUSA-N 319.365 -0.294 30 20 DBED N#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)CN1CCC(=O)NC1=O 1049830056 DQUUHCDMMNPHRH-NWDGAFQWSA-N 319.365 -0.483 30 20 DBED C=CCCC(=O)N1CC[C@H]([C@@H](C)NC(=O)Cn2cnnn2)C1 1050250611 AZVSVJWVRUUWDT-NEPJUHHUSA-N 306.370 -0.008 30 20 DBED C=CCCC(=O)N1CC[C@@H]([C@H](C)NC(=O)Cn2cnnn2)C1 1050250613 AZVSVJWVRUUWDT-NWDGAFQWSA-N 306.370 -0.008 30 20 DBED CCn1nncc1CN1CC2(C1)CN(C(=O)[C@@H](C)C#N)CCO2 1053191020 JOAUEEGXYBAOME-LBPRGKRZSA-N 318.381 -0.129 30 20 DBED N#CCN1CC2(C1)CN(C(=O)c1cccn3nnnc13)CCO2 1053273221 UOWSRMTXSYZCHK-UHFFFAOYSA-N 313.321 -0.825 30 20 DBED N#CCN1CC2(C1)CN(C(=O)CCc1ccncn1)CCO2 1053276022 HJHMVMIPYRAWIK-UHFFFAOYSA-N 301.350 -0.154 30 20 DBED CCN1CCO[C@@H](C(=O)N2CCOC3(CN(CC#N)C3)C2)C1 1053537527 HWSJNKWQSTXJJG-CYBMUJFWSA-N 308.382 -0.856 30 20 DBED Cc1cc(C#N)nc(NC[C@@H]2CN(C(=O)C(N)=O)C[C@H]2C)n1 1054531498 GUQPKMBLDRSFBO-PSASIEDQSA-N 302.338 -0.352 30 20 DBED CC(C)C#CC(=O)N1C[C@H]2CN(C(=O)c3nc[nH]n3)C[C@H]2C1 1055328636 RHQNWWJUFDLESJ-TXEJJXNPSA-N 301.350 -0.006 30 20 DBED N#Cc1nccnc1N1CCN(C(=O)[C@H]2CCNC(=O)C2)CC1 1055753041 JVXDMPXHQSBQOK-NSHDSACASA-N 314.349 -0.477 30 20 DBED C[C@@H](C#N)C(=O)N[C@]1(CO)CCCN(C(=O)c2cnco2)C1 1056096588 JBVZDVBAPXHSAO-IINYFYTJSA-N 306.322 -0.082 30 20 DBED Cc1n[nH]cc1C(=O)N1CCC[C@@](CO)(NC(=O)[C@H](C)C#N)C1 1056097840 WEUURQPZOLBZIM-MEBBXXQBSA-N 319.365 -0.039 30 20 DBED CCn1cc(C(=O)NC2[C@@H]3CN(c4ccc(C#N)nn4)C[C@@H]23)nn1 1056282258 JOXVLZLSBNKWRY-GHMZBOCLSA-N 324.348 -0.176 30 20 DBED CN(c1ccnc(C#N)n1)[C@H]1CCN(C(=O)Cn2nccn2)C1 1056972631 MYZIFJSXLAEAJD-NSHDSACASA-N 312.337 -0.323 30 20 DBED O=C(Cc1cc[nH]n1)NCCN(CCO)C(=O)C#CC1CC1 1057531408 MWHITLGHQWWZOW-UHFFFAOYSA-N 304.350 -0.697 30 20 DBED N#Cc1cnc(N2CC[C@@H](NC(=O)c3cc[n+]([O-])cc3)C2)cn1 1058276872 RVCYUEPIOCNILL-GFCCVEGCSA-N 310.317 -0.010 30 20 DBED C=CC(C)(C)C(=O)N(CCO)CCNC(=O)CNC(=O)OC 1058300337 GAHUNLDUXDUWIO-UHFFFAOYSA-N 315.370 -0.508 30 20 DBED CCn1ncc(C(=O)N[C@@H]2CCN(c3ccc(C#N)nn3)C2)n1 1058353431 GIMZBHOIYMEUAR-LLVKDONJSA-N 312.337 -0.032 30 20 DBED C=C(C)C[C@@H](C)C(=O)N(CCO)CCNC(=O)Cn1cnnn1 1058461892 CACOJOVTDZHGGK-GFCCVEGCSA-N 324.385 -0.788 30 20 DBED N#Cc1cnccc1N1CC[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1 1058531557 SMKOBTDTNBQAAT-GHMZBOCLSA-N 300.322 -0.670 30 20 DBED C[C@@]1(C(=O)N[C@@H]2CCN(c3nccnc3C#N)C2)CCC(=O)N1 1058536051 ANAFQBDKRGENAV-BMIGLBTASA-N 314.349 -0.288 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 1059049566 VPBVARCCTOWYAV-CMPLNLGQSA-N 300.322 -0.931 30 20 DBED Cn1cc(C(=O)N[C@H]2C[C@H](N=c3cc[nH]c(C#N)n3)C2)ccc1=O 1059465630 ZPBVADUCYBPRIW-HAQNSBGRSA-N 324.344 -0.158 30 20 DBED CNC(=O)NCC(=O)N1CC[C@@H](CCNC(=O)[C@H](C)C#N)C1 1059783826 XJSUMKANZFVDLC-GHMZBOCLSA-N 309.370 -0.570 30 20 DBED N#Cc1nccnc1N[C@@H]1CC[C@@H]2CN(C(=O)CC(N)=O)C[C@H]21 1060523201 LEHFVJRZZULHMT-GMTAPVOTSA-N 314.349 -0.127 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CCCCN1C(=O)[C@@H]1CNC(=O)N1 1062329555 ZQFAPAQDMXDYJA-OLZOCXBDSA-N 318.377 -0.422 30 20 DBED NC(=O)NCCC(=O)NCC1(NC(=O)C#CC2CC2)CCC1 1063003473 ZEJGKGQEDFBLAD-UHFFFAOYSA-N 306.366 -0.387 30 20 DBED N#Cc1cncc(N2CCO[C@@H](CNC(=O)[C@@H]3CCOC3)C2)n1 1063619667 YEEWZBWRUMSCLH-YPMHNXCESA-N 317.349 -0.294 30 20 DBED N#Cc1ccc(N2CCO[C@H](CNC(=O)c3cnn[nH]3)C2)nc1 1063674575 OLTPHDSUEJDVBX-LLVKDONJSA-N 313.321 -0.293 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(C(=O)c2cnsn2)CCO1 1064909591 ONTZVWKXUINHJM-NSHDSACASA-N 320.374 -0.091 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)[C@@H](C)OC)CCO1 1064919087 DHROSMHQOJBCBG-VXGBXAGGSA-N 300.355 -0.433 30 20 DBED CC#CCCCC(=O)NC[C@@H]1CN(C(=O)c2cnn[nH]2)CCO1 1065327607 BCMHTMYBRXLIEW-GFCCVEGCSA-N 319.365 -0.045 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CCCN(C(=O)CC(N)=O)CC1 1066106683 FVJQESHLUVKLJV-IAQYHMDHSA-N 311.382 -0.314 30 20 DBED CNC(=O)NCC(=O)N1CCC[C@H](NC(=O)C#CC2CC2)CC1 1066155434 GLZYGROGARSDJW-ZDUSSCGKSA-N 320.393 -0.174 30 20 DBED Cc1cc(C#N)nc(N2CC[C@H](NC(=O)C(N)=O)[C@@H](C)C2)n1 1067429147 GCSFVTRTGUOIRV-KWQFWETISA-N 302.338 -0.527 30 20 DBED CCc1nc(C#N)cc(N2CC[C@H](NC(=O)C(N)=O)[C@H](C)C2)n1 1067429886 OWGGCNSHSVLCBQ-KOLCDFICSA-N 316.365 -0.273 30 20 DBED C=CCCC(=O)N[C@@H]1COC2(C1)CN(C(=O)[C@H]1CCNC1=O)C2 1068751213 MJJAZOBCGAFYFA-RYUDHWBXSA-N 321.377 -0.425 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)C2=COCCC2)C1 1069902499 AIXUMGQKQHJRBI-KGLIPLIRSA-N 301.350 -0.053 30 20 DBED N#CCN[C@@H]1CN(C(=O)Cc2cccnc2)C[C@@H]1n1ccnn1 1070177668 HLTPTDPZIQLLHT-KGLIPLIRSA-N 311.349 -0.219 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)c2cnon2)CCOCC1 1070233021 XPXUUALNTOZBSR-SECBINFHSA-N 307.310 -0.376 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CCCN(C(=O)c2cnnn2C)C1 1070680667 WUMGYHVNNFUECV-IAQYHMDHSA-N 321.381 -0.137 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)[C@H]2C[C@H]2C(=O)OC)CC1 1070946195 XFTYGDYXFKYIHL-QWHCGFSZSA-N 323.393 -0.368 30 20 DBED C=CCOCC(=O)N1C[C@H](C)[C@@H](NC(=O)Cc2n[nH]c(C)n2)C1 1071808644 JTXNHXLOSNVRKF-JQWIXIFHSA-N 321.381 -0.179 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)c2cnnc(O)c2)C[C@@H]1C 1072305537 YSBPQAPEFOGTFG-CMPLNLGQSA-N 320.349 -0.039 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)c2cccnc2C(N)=O)C1 1073896150 LZIXGRIVRPBKFQ-GFCCVEGCSA-N 316.361 -0.366 30 20 DBED C#CCCN1CCO[C@H]2CCN(C(=O)c3cn(C)nn3)C[C@@H]21 1074232603 CLNHHZIXLYPOKD-KBPBESRZSA-N 303.366 -0.246 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@@H]3OCCN(CCO)[C@H]3C2)nc1 1074385027 QBXRZQLVNPEULM-HOTGVXAUSA-N 315.373 -0.030 30 20 DBED C[C@H](C#N)C(=O)N1CCC(O)(CNC(=O)CN2CCCC2)CC1 1074706363 JWVIRSKJGNFJKE-CYBMUJFWSA-N 322.409 -0.288 30 20 DBED C=CCOCC(=O)N1CC[C@H](NC(=O)C2(C(N)=O)CC2)C[C@@H]1C 1075140089 SZKQZPVDIHTXPC-RYUDHWBXSA-N 323.393 -0.050 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H](C)CCNC(=O)COCCOC 1075956130 PMESLPKJVOCQOD-WFASDCNBSA-N 316.398 -0.013 30 20 DBED C#CCCN1C[C@@H]2CCN(C(=O)CC[C@@H]3NC(=O)NC3=O)[C@@H]2C1 1076548769 HGKSZZXBZKECPM-RWMBFGLXSA-N 318.377 -0.469 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)c2cn(C[C@H]3CCOC3)nn2)C1 1077910412 SZIAYDAHOPNGSB-YRGRVCCFSA-N 321.381 -0.725 30 20 DBED N#CCN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)c1nccnc1C(N)=O)C2 1079102760 ZYROEGVWTRZXIQ-GMTAPVOTSA-N 314.349 -0.318 30 20 DBED CCN(C(=O)CCn1cnnn1)C1CN(C(=O)C#CC(C)C)C1 1080344066 JSTYZWCSXBALQK-UHFFFAOYSA-N 318.381 -0.218 30 20 DBED C[C@H](C#N)C(=O)NC1(CO)CCN(C(=O)c2cncn2C)CC1 1080981790 MAWJDBYQIWZMQE-LLVKDONJSA-N 319.365 -0.337 30 20 DBED N#Cc1c[nH]c(C(=O)N2C[C@H](CNC(=O)C(F)F)[C@@H](O)C2)c1 1081149035 DJKQDOXLPMGIIK-WPRPVWTQSA-N 312.276 -0.299 30 20 DBED Cc1nc(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C#CC3CC3)C2)co1 1081470415 ACQNQKZTRZZBHS-GXTWGEPZSA-N 317.345 -0.054 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CN([C@H](C)COC)C[C@H]2OC)nn1 1082214357 STSCZZZEPCORJF-YRGRVCCFSA-N 323.397 -0.072 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@H]2CCc3nnn(C)c3C2)C[C@H]1C 1082707785 CLJIJVVLNVKJKM-MBNYWOFBSA-N 301.394 -0.010 30 20 DBED CC[C@@H](C(N)=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)C#CC1CC1 1083077616 QDMVPVWOQGZYOM-MELADBBJSA-N 305.378 -0.425 30 20 DBED C[C@H](C(=O)N(C)C)N1C[C@H](O)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 1083413340 JVFTZRJBPLNYJJ-WQAKAFBOSA-N 319.365 -0.862 30 20 DBED Cc1[nH]nc2ncc(C(=O)N[C@@H]3CN(CC#N)C[C@@H]3O)cc12 1084057627 UFYIILFYZYDURJ-NEPJUHHUSA-N 300.322 -0.435 30 20 DBED C#CCN1CCC[C@H]2[C@H]1C(C)(C)[C@@H]2NC(=O)Cn1cnnn1 1087271707 WHDMBJKIPNPKRH-BNOWGMLFSA-N 302.382 -0.089 30 20 DBED C=C(Cl)CN1CC[C@@H](NC(=O)Cc2n[nH]c(C)n2)[C@H](O)C1 1090232929 CAOPJEALUXXXQM-GHMZBOCLSA-N 313.789 -0.040 30 20 DBED N#CCN1CC[C@H](NC(=O)c2ccc3c(c2)NC(=O)C3)[C@H](O)C1 1090278034 ANXFOWCWFCBFMY-GXTWGEPZSA-N 314.345 -0.130 30 20 DBED C=CCN1CC[C@@H](NC(=O)c2ccc3nn[nH]c3n2)[C@@H](O)C1 1090310410 MACSEOCDHZTFMX-SKDRFNHKSA-N 302.338 -0.296 30 20 DBED C=CCN1CC[C@@H](NC(=O)c2nc(OC)cc(OC)n2)[C@H](O)C1 1090364226 UXPJXFBSOKGKOK-GHMZBOCLSA-N 322.365 -0.155 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2cn(C)nc2OC)[C@@H](O)C1 1090487525 WDHIYXAMOKWWSC-STQMWFEESA-N 306.366 -0.383 30 20 DBED C#CCN1CC[C@@H](NC(=O)Cc2ncccc2OC)[C@@H](O)C1 1090520600 QFFXFOGYTUDRHE-OCCSQVGLSA-N 303.362 -0.183 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2cnn(C)c2OC)[C@@H](O)C1 1090759102 CUDAGPXYNCNRRX-OLZOCXBDSA-N 306.366 -0.383 30 20 DBED C#CCN1C[C@@H]2CN(C(=O)[C@@H]3CCS(=O)(=O)N3)C[C@]2(C)C1 1092282332 ORVWYHWYAWGAIW-DYEKYZERSA-N 311.407 -0.908 30 20 DBED C[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1CNC(=O)CC(N)=O 1092358393 SHGCLXVBISNQOS-NXEZZACHSA-N 302.338 -0.588 30 20 DBED CC#CCN1C[C@@H](C)[C@H](CNC(=O)[C@H]2CCS(=O)(=O)N2)C1 1093202997 CZTIGDZKVKNKJQ-JHJVBQTASA-N 313.423 -0.615 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1CN[C@H]1CCC(=O)NC1=O 1093762951 ONYGVCRMNJKTCZ-BNOWGMLFSA-N 317.389 -0.111 30 20 DBED C#CCCN1CCN(C(=O)c2ccc[nH]2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094606302 QLPJJORZGKFKJL-UONOGXRCSA-N 321.402 -0.039 30 20 DBED CC#CCN1CC(N2C[C@@H](NC(=O)C[C@@H]3CCOC3)CC2=O)C1 1094717869 PIEQBXYPLXIDBG-KBPBESRZSA-N 319.405 -0.162 30 20 DBED N#CCN1CC(N2C[C@H](NC(=O)c3cc(Cl)no3)CC2=O)C1 1094806557 SUGLGHRYSMWGCG-MRVPVSSYSA-N 323.740 -0.134 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)c3ccn(C)n3)CC2=O)C1 1094814310 DUYSYYONQRZYRF-LLVKDONJSA-N 303.366 -0.379 30 20 DBED CC(=O)N[C@@H](C)C(=O)NC1CCN(c2cncc(C#N)n2)CC1 1095387902 WRGCBNKGNYKYHZ-JTQLQIEISA-N 316.365 -0.042 30 20 DBED C[C@H](CC(N)=O)C(=O)NCCCN(C)c1cnc(C#N)cn1 1095704684 BFTOWNAJCWOLIO-SNVBAGLBSA-N 304.354 -0.198 30 20 DBED Cn1ccc(CC(=O)N2CCC(N(CC#N)CCO)CC2)n1 1098365724 PYKKZOSEEJGMHQ-UHFFFAOYSA-N 305.382 -0.229 30 20 DBED C[C@H]1C[C@@H](C(=O)N2CCC(N(CC#N)CCO)CC2)CC(=O)N1 1098414909 KWHXMLWNFFNUBB-QWHCGFSZSA-N 322.409 -0.290 30 20 DBED CC(=O)N(C)CC(=O)N[C@H]1CN(CC#N)CC2(CCOCC2)C1 1099567264 HDKVPPUQQQBJCH-CQSZACIVSA-N 322.409 -0.024 30 20 DBED N#CCSCC(=O)N[C@@H]1CCN(CCn2cccn2)C[C@@H]1O 1099687022 NXCOSWLSRKDOPA-OLZOCXBDSA-N 323.422 -0.309 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)c2cnc(C)[nH]2)[C@H](O)C1 1099728115 VUWFCBCFZDNKSP-WCQYABFASA-N 321.381 -0.815 30 20 DBED C#CCCCCCC(=O)N[C@@H]1CCN(CC(=O)NC)C[C@@H]1O 1099957619 UFPBPTDVFXVFKF-KGLIPLIRSA-N 309.410 -0.133 30 20 DBED CN(CCNC(=O)[C@@H]1CCNC(=O)C1)c1nccnc1C#N 1100006383 ADNPACWCJLXZCU-SNVBAGLBSA-N 302.338 -0.573 30 20 DBED C=CCN(CC=C)C(=O)CNC1CC(CNC(=O)CC(N)=O)C1 1100210804 OAPBLIHUVDGOOT-UHFFFAOYSA-N 322.409 -0.453 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)[C@H](OC)C2CC2)C1 1100295169 FVTQAFFJHNKNBS-ABIUDSBCSA-N 307.394 -0.355 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)c2nn(C)cc2C)C1 1100312608 XOGPKYMIQQYVQZ-UHFFFAOYSA-N 317.393 -0.424 30 20 DBED C=CCCNC1CC(CNC(=O)Cn2ccc(=O)n(C)c2=O)C1 1100382104 HLYMEHWCDYJKLL-UHFFFAOYSA-N 320.393 -0.393 30 20 DBED C=C(C)CNC1CC(CNC(=O)CNC(=O)CNC(C)=O)C1 1100454563 AEJPWFIKQGZSHK-UHFFFAOYSA-N 310.398 -0.701 30 20 DBED CCCN(C(=O)C(N)=O)[C@H]1CCN(c2cnc(C#N)cn2)C1 1102262259 UOFKAYJXBXGMIU-NSHDSACASA-N 302.338 -0.349 30 20 DBED Cc1nnc(CC(=O)NC[C@H](C)CN=c2cc[nH]c(C#N)n2)o1 1103929238 SQAIEQQNILOCSN-SECBINFHSA-N 315.337 -0.132 30 20 DBED C[C@H](CNc1ccc(C#N)nn1)N(C)C(=O)Cn1cnnn1 1104447366 AHTQNJDFAPGVRI-SECBINFHSA-N 301.314 -0.706 30 20 DBED CC(C)[C@@H](CNC(=O)c1ncn(C)n1)N=c1cc[nH]c(C#N)n1 1105178991 AWOXERHDQNBQBU-SNVBAGLBSA-N 314.353 -0.235 30 20 DBED C#CCN[C@@H]1C[C@]2(C[C@H]1O)CN(C(=O)CNC(C)=O)[C@H]2C(C)C 1105588681 ZMMMDWVBHNDVAN-JHNDHUHGSA-N 321.421 -0.278 30 20 DBED CC(=O)N[C@H](C)C(=O)NC[C@H](O)CNc1ccc(C#N)c(C)n1 1105734967 IBTRRVQOTJRBBN-ZWNOBZJWSA-N 319.365 -0.325 30 20 DBED CC(=O)N(C)CC(=O)NC[C@H](O)CNc1nc(C)cc(C#N)n1 1105755531 SXXUAOWYBGCABQ-LBPRGKRZSA-N 320.353 -0.976 30 20 DBED CN1CC[C@@H](C(=O)NC[C@H](O)CNc2ncc(C#N)cc2F)C1 1105853473 OOYKIZILHRGNIW-VXGBXAGGSA-N 321.356 -0.067 30 20 DBED N#Cc1cnc(NC[C@@H](O)CNC(=O)CCNC(N)=O)c(F)c1 1105853487 ORNQQFAVBCPLAH-VIFPVBQESA-N 324.316 -0.960 30 20 DBED CC(C)N(C)CC(=O)NC[C@@H](O)CN=c1cc[nH]cc1C#N 1105869573 WLBOQEITBRTGQZ-ZDUSSCGKSA-N 305.382 -0.396 30 20 DBED Cc1nc[nH]c1CC(=O)NC[C@H](O)CNc1nccnc1C#N 1105920513 HMWPGFVQMQOUAF-JTQLQIEISA-N 315.337 -0.489 30 20 DBED Cc1cnoc1C(=O)NC[C@@H](O)CN=c1cc[nH]cc1C#N 1105939663 XRIKSNXCAZJOAK-NSHDSACASA-N 301.306 -0.126 30 20 DBED CN(C)C1(C(=O)NC[C@H](O)CNc2cncc(C#N)n2)CCC1 1106003570 DQJSVIUYZCWHKE-GFCCVEGCSA-N 318.381 -0.278 30 20 DBED Cc1ccc(C#N)c(NC[C@H](O)CNC(=O)[C@H]2CCNC2=O)n1 1106052367 YMVNGBVAPFGMEC-RYUDHWBXSA-N 317.349 -0.713 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@H](O)CNc1cnc(F)cn1 1106154507 JVQAFFVWYWCBFQ-RYUDHWBXSA-N 321.356 -0.398 30 20 DBED CCC(=O)NCC(=O)N(CC)CCN=c1cc[nH]c(C#N)n1 1106706904 RKRPHVLRJGNFFP-UHFFFAOYSA-N 304.354 -0.443 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)Cc2nc[nH]n2)C[C@H]1C 1106858408 JIHDYDRIXZKNKS-CHWSQXEVSA-N 305.382 -0.319 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)c2nccnc2C(N)=O)C[C@H]1C 1106962705 RDXZBQWKBCUWGF-VXGBXAGGSA-N 315.377 -0.104 30 20 DBED C[C@@]1(C(=O)NC/C=C/CN=c2cc[nH]c(C#N)n2)CNC(=O)C1 1107422478 SFMZWFNOESQKNF-FAAWYNLUSA-N 314.349 -0.619 30 20 DBED COCC#CCN1CCO[C@](C)(CNC(=O)Cn2cccn2)C1 1107737790 JBTWQSIQKFOTKL-MRXNPFEDSA-N 320.393 -0.260 30 20 DBED CCN1CCO[C@@H](C(=O)N[C@H](C)CN=c2cc[nH]c(C#N)n2)C1 1107776150 SGABDEDLPDTQCQ-VXGBXAGGSA-N 318.381 -0.593 30 20 DBED C[C@H](CNc1nccnc1C#N)NC(=O)CCn1cnnn1 1107891235 RNROFWGCBPTSRU-SECBINFHSA-N 301.314 -0.658 30 20 DBED CC#CCN1CCO[C@@](C)(CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 1108024393 KABQMJFVROOUOE-INMHGKMJSA-N 323.437 -0.064 30 20 DBED C=CCCN1CCO[C@](C)(CNC(=O)[C@H]2CN(C)C(=O)N2)C1 1108119566 PJVQTAKAVMHYAO-IUODEOHRSA-N 310.398 -0.207 30 20 DBED C[C@@]1(CNC(=O)[C@H]2CC23CC3)CN(CC(=O)NCC#N)CCO1 1108240851 QGWXGKUPTLCPHV-IUODEOHRSA-N 320.393 -0.367 30 20 DBED C=CCOCCN1CCO[C@@](C)(CNC(=O)c2cnn(C)n2)C1 1108277942 BWGCPTYOEFMGET-HNNXBMFYSA-N 323.397 -0.162 30 20 DBED CC#CCN1CCO[C@](C)(CNC(=O)c2cc(C(N)=O)c[nH]2)C1 1108305070 WAKSUKYXGNWNSR-MRXNPFEDSA-N 318.377 -0.042 30 20 DBED CC(C)OCCN1CC(N2C[C@H](NC(=O)[C@@H](C)C#N)CC2=O)C1 1108527834 PJIFJTSAZBCLKJ-QWHCGFSZSA-N 322.409 -0.028 30 20 DBED C=C(C)CN1CC(N2C[C@@H](NC(=O)CC(=O)NC)CC2=O)C1 1108534903 UMYYXTLFYQAQBD-NSHDSACASA-N 308.382 -0.900 30 20 DBED C[C@H](CN(C)c1cnc(C#N)cn1)NC(=O)[C@]1(C)CNC(=O)C1 1109155556 NAROQVADEIMIPQ-BMIGLBTASA-N 316.365 -0.185 30 20 DBED CN(CCCNc1cnc(C#N)cn1)C(=O)Cn1cncn1 1109448820 OJRGNXXBOOGHOU-UHFFFAOYSA-N 300.326 -0.100 30 20 DBED CCC(=O)NCC(=O)N[C@@H]1[C@H]2C[C@H]1N(c1nccnc1C#N)C2 1109702817 QIVIKMACFBBGEC-DRCTWCGVSA-N 314.349 -0.432 30 20 DBED N#Cc1nccnc1N1C[C@H]2C[C@H]1[C@@H]2NC(=O)CCNC(N)=O 1109709169 WLYSLPXMSCSPEH-UBHAPETDSA-N 315.337 -0.900 30 20 DBED CN1C[C@@H](C(=O)NCC2(Nc3ccnc(C#N)n3)CC2)CC1=O 1110381100 UIHAKJHSKAPZFH-JTQLQIEISA-N 314.349 -0.113 30 20 DBED C[C@@]1(NC(=O)Cn2cnnn2)CCN(c2ccc(C#N)cn2)C1 1110710651 JGZZLQGYFKGINI-CQSZACIVSA-N 312.337 -0.275 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1COCCN1c1ncnc2[nH]cnc12 1111663440 WCXPHVUBKRKQAE-NXEZZACHSA-N 315.337 -0.166 30 20 DBED CN(CCCN(C)c1nccnc1C#N)C(=O)c1nnn(C)n1 1112156555 PZXNYPBAKCTTGN-UHFFFAOYSA-N 315.341 -0.530 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(c2nccn3nnnc23)C[C@@H]1O 1112714516 FLYBVBYZQZOSLQ-MNOVXSKESA-N 317.353 -0.601 30 20 DBED CC[C@H]1CC[C@H](C(=O)N2CCN(CC(=O)NCC#N)CC2)O1 1112902147 HQOOIIMKAAPYNA-QWHCGFSZSA-N 308.382 -0.272 30 20 DBED C[C@H](N=c1cc[nH]c(C#N)n1)[C@@H](C)NC(=O)Cc1nc[nH]n1 1113150649 PBDKCLQVHDXLJH-DTWKUNHWSA-N 300.326 -0.564 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)CCn2ccnc2)CC1 1113172484 KGVNDVADMCTNJY-UHFFFAOYSA-N 304.354 -0.943 30 20 DBED Cc1cc(C#N)nc(N(C)[C@@H](C)CNC(=O)[C@H](C)NC(N)=O)n1 1113577785 LAVVXQPAXNYHJY-UWVGGRQHSA-N 319.369 -0.346 30 20 DBED C[C@H](CNC(=O)C1(C(N)=O)CC1)N(C)c1cnc(C#N)cn1 1113846065 YKYKJWSAPYEBHR-SECBINFHSA-N 302.338 -0.445 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)c3ncc[nH]3)[C@H]2C1 1114236829 BGRDQVNMQNMWBY-NNYUYHANSA-N 301.350 -0.792 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)[C@@H]3CCC3(F)F)[C@@H]2C1 1114447683 SYVOKPMTLLQMLV-MXWKQRLJSA-N 311.332 -0.173 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)COCC(F)F)[C@H]2C1 1114619425 WITVUUUOKATBQX-UWVGGRQHSA-N 315.320 -0.936 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)[C@H](CC)N(C)C)[C@H]2C1 1114849154 LKNYTOJYOTZHLZ-AVGNSLFASA-N 306.410 -0.878 30 20 DBED C=C(C)CN1C[C@H]2[C@H](NC(=O)C(C)(C)NS(C)(=O)=O)[C@H]2C1 1114942294 KDFPWWPYDZHIHQ-GDNZZTSVSA-N 315.439 -0.063 30 20 DBED C[C@H](CN(C)C(=O)c1ncn(C)n1)N=c1cc[nH]c(C#N)n1 1115704246 ISQXCZPAZHXXHP-SECBINFHSA-N 300.326 -0.529 30 20 DBED C[C@H](CN(C)C(=O)Cn1cncn1)Nc1cnc(C#N)cn1 1115730286 DTQLIKXQKCKETI-SNVBAGLBSA-N 300.326 -0.101 30 20 DBED N#Cc1c[nH]ccc1=N[C@H](CO)CNC(=O)CCn1cccn1 1121073008 ILQKSRRBXIXARG-ZDUSSCGKSA-N 314.349 -0.449 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)CN2CCOCC2)nc1 1121345684 CSHOONUEOSJOMM-ZDUSSCGKSA-N 319.365 -0.826 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@H](CO)N=c1cc(C)[nH]cc1C#N 1121405688 OVHMDKVMFLHNOF-BBRMVZONSA-N 318.377 -0.100 30 20 DBED CN1CC[C@@H](CC(=O)NC[C@H](CO)Nc2nccnc2C#N)C1 1121807572 VVWDMFJGHBYCFY-NWDGAFQWSA-N 318.381 -0.421 30 20 DBED N#Cc1cncc(N[C@@H](CO)CNC(=O)CO[C@H]2CCOC2)n1 1122070737 NQHBFAOYISRTMV-NEPJUHHUSA-N 321.337 -0.957 30 20 DBED N#Cc1cnc(N[C@H](CO)CNC(=O)[C@@H]2[C@H]3COC[C@H]32)cn1 1122372440 OFTRWDNKVGKDCM-MEWQQHAOSA-N 303.322 -0.870 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]cc1C#N)C(=O)CC1(O)CCC1 1124283757 PLIYEQMPOMNEMW-ZDUSSCGKSA-N 318.377 -0.089 30 20 DBED COC[C@H](OC)C(=O)N(C)C[C@@H](O)CNc1ccc(C#N)nc1 1124722088 USCZBIGSVONTIK-KBPBESRZSA-N 322.365 -0.154 30 20 DBED COC[C@H](C)OC[C@@H](O)CNCCNC(=O)c1c[nH]c(C#N)c1 1125988076 KXOUZAGXYDVJIS-FZMZJTMJSA-N 324.381 -0.382 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)Cc1n[nH]c(C)n1 1126926074 FJPCMYZKRHKOSY-UHFFFAOYSA-N 320.397 -0.438 30 20 DBED C=CCOCCNCCNC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 1127260724 DVPAEEBMSPBDAB-LBPRGKRZSA-N 321.381 -0.329 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCNCCCN1CCCC1=O 1129791089 RFYRUFKIYYVQGD-HNNXBMFYSA-N 320.437 -0.198 30 20 DBED C#CCCN[C@@H]1CN(C(=O)c2n[nH]cc2F)C[C@@H]1n1ccnn1 1129995668 BTOWWAJPVWDFBH-NEPJUHHUSA-N 317.328 -0.181 30 20 DBED CC#CCN[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1n1ccnn1 1130049958 BJJNGGQYCIKUCQ-MNOVXSKESA-N 300.326 -0.925 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1c[nH]nc1C(C)C 1130730195 OKSMXZLVMQEXFF-LLVKDONJSA-N 305.382 -0.010 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2C[C@@H]3CN(C(=O)CC)C[C@@]3(C1)O2 1131170420 ABMNIEGTFCWROG-ZOMKSWQUSA-N 319.405 -0.164 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2C[C@@H]3CN(CCOCCO)C[C@]2(C1)O3 1131210704 VDPKEPHHRJHOTQ-IXYNUQLISA-N 323.393 -0.543 30 20 DBED C[C@@H]1CC[C@@H](NC(=O)c2n[nH]cc2F)CN1CC(=O)NCC#N 1132273978 MUBXRWDDMKUTNJ-NXEZZACHSA-N 322.344 -0.229 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)NCCNCCS(C)(=O)=O 1134816471 DKBXWEAPFYCTJF-GFCCVEGCSA-N 319.427 -0.792 30 20 DBED C=CCN[C@@H](C)C[C@@H](C)NC(=O)c1cn(C)c(=O)n(C)c1=O 1135613293 FAEWEBAGGDAQBJ-WDEREUQCSA-N 308.382 -0.244 30 20 DBED C#CCCN[C@H](C)C[C@H](C)NC(=O)c1cc(=O)n2[nH]cnc2n1 1135923130 HQUNJNPEJLMFNI-MNOVXSKESA-N 316.365 -0.073 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)[C@H]1CO[C@@H](C)C1)C2 1147812193 SBLJRAZXMXEQIU-UONOGXRCSA-N 319.405 -0.305 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1Cc2cccnc2C1 1149195852 JMCBPJFIVPGOJE-GXTWGEPZSA-N 314.389 -0.360 30 20 DBED C#CCNC(=O)CN1CCCO[C@@H](CNC(=O)C2(C)CC2)C1 1149746338 OLTDWCXQBUIHTC-ZDUSSCGKSA-N 307.394 -0.257 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cccc(NC(N)=O)c1 1150558028 VLHNVNOKSRHSIP-UHFFFAOYSA-N 317.349 -0.754 30 20 DBED COCC#CCN1CCCO[C@H](CNC(=O)c2nonc2C)C1 1150818678 SYYHYDXBNIEZQK-CYBMUJFWSA-N 322.365 -0.151 30 20 DBED C#CCN1CCC(C(=O)NCCNCc2ncnn2CC)CC1 1152334903 VHFSQKRVTCZGFE-UHFFFAOYSA-N 318.425 -0.151 30 20 DBED C=C(C)CN(CC)C(=O)[C@@H](C)NCCCNC(=O)CC(N)=O 1156029277 LWJMUHWBNGDOOC-GFCCVEGCSA-N 312.414 -0.229 30 20 DBED C=C(Br)CNCCCNC(=O)CNC(=O)NC 1159335133 SJMWIPZPEIRHEF-UHFFFAOYSA-N 307.192 -0.080 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)[C@@H]2CCCNC2=O)C1=O 1160433432 MODJPTGGOCLFBA-OLZOCXBDSA-N 322.409 -0.605 30 20 DBED N#CCNCC1(CCNC(=O)CCCn2c(O)nnc2O)CC1 1165877831 AHSUMHUPGZGHFO-UHFFFAOYSA-N 322.369 -0.131 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)CCc1cnn[nH]1 1166975262 ZRRVLIXLFMDCGG-NSHDSACASA-N 308.386 -0.476 30 20 DBED CN1CC[C@H](C(=O)NCCC2(CNCC(=O)NCC#N)CC2)C1 1168137471 OAZWFLBRHVRNCD-ZDUSSCGKSA-N 321.425 -0.546 30 20 DBED C=CCCCNCCCNC(=O)[C@@H](CCC(N)=O)NC(C)=O 1168504911 YARKBZTYKBUHOB-CYBMUJFWSA-N 312.414 -0.181 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)CCCn1cncn1 1170289998 YMXFOXBWJVAPAS-ZDUSSCGKSA-N 320.397 -0.708 30 20 DBED C#CCNCCCC[C@H](C)NC(=O)c1cnc(O)n(C)c1=O 1174624399 RNDBITGALNCXIU-NSHDSACASA-N 306.366 -0.003 30 20 DBED C#CCCN1CCO[C@@H]2CCN(C(=O)C3(C(=O)NC)CC3)C[C@H]21 1177112019 DIXXPFDYXKRBPJ-ZIAGYGMSSA-N 319.405 -0.162 30 20 DBED C[C@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)[C@]1(F)CCOC1 1179399502 WDQZIXUCECECLS-MJVIPROJSA-N 312.345 -0.666 30 20 DBED C=C(C)CCN[C@@H]1CCN(C(=O)CN2CCN(C)C(=O)C2)C1 1183783106 RBUIEYRRIKWNBD-CQSZACIVSA-N 308.426 -0.083 30 20 DBED C=C(Cl)CN[C@@H]1CCN(C(=O)[C@@H](C)NS(C)(=O)=O)C1 1185905762 ZIMBMPJDKXTTIM-NXEZZACHSA-N 309.819 -0.133 30 20 DBED C#CCNC[C@H]1CN(C(=O)Cc2nc[nH]n2)CC12CCOCC2 1186536774 KZLYZEQWKOEBEV-ZDUSSCGKSA-N 317.393 -0.175 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)C23CCN(CC2)C3)C1 1187126254 FBHIKCLHWOBCNM-UONOGXRCSA-N 318.421 -0.589 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3cnc(C)[nH]3)[C@@H]2C1 1187280325 JACLWBAPWHACSR-GXTWGEPZSA-N 315.377 -0.386 30 20 DBED C#CCCCC(=O)N1CC[C@H]2CN([C@H](C)C(=O)NC(N)=O)C[C@H]21 1187714549 TYPCRYQYXDAUCU-FRRDWIJNSA-N 320.393 -0.094 30 20 DBED CC[C@@H](C(=O)N1CC[C@H]2CN(CC(=O)NCC#N)C[C@H]21)N(C)C 1189144045 IFILYZOXXGDMNR-MELADBBJSA-N 321.425 -0.501 30 20 DBED CO[C@@H](C)CCC(=O)N1CC[C@H](N(C)CC(=O)NCC#N)C1 1189799085 VEXOEBNAMWUAFT-STQMWFEESA-N 310.398 -0.026 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)/C=C/c2ccco2)C1 1190702018 YUWSHEHIDQTKMH-QAMKJQMISA-N 319.361 -0.244 30 20 DBED C=CCOCCCC(=O)N[C@@H]1CN(Cc2cnnn2C)C[C@H]1O 1192054056 IYCDQSZZDJYFIU-ZIAGYGMSSA-N 323.397 -0.541 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(CC/C=C\CC)C[C@H]1O 1192395429 CYMKTOVTSLKVHG-HLMASZERSA-N 307.394 -0.357 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(Cc2coc(C)n2)C[C@H]1O 1192530878 QOBNCFVJVQGBDZ-UMVBOHGHSA-N 309.366 -0.029 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC2)C1 1194860125 JALVTPRUPJXWSN-FPCVCCKLSA-N 322.405 -0.387 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)c2ccnc(C)n2)C1 1198706449 IIWONSNICJGFML-ZIAGYGMSSA-N 306.366 -0.237 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)[C@@H]2CN(C)C(=O)N2)CCCO1 1201155049 KKDJQFDJCUJGTL-OLZOCXBDSA-N 308.382 -0.760 30 20 DBED C=CCOCCNC1CCN(C(=O)Cn2ncn(C)c2=O)CC1 1201364114 HPSAHDJKPHEPQD-UHFFFAOYSA-N 323.397 -0.635 30 20 DBED CCc1n[nH]cc1C(=O)N1CCC(NCC(=O)NCC#N)CC1 1201413740 MGJZUPGBKIXDPZ-UHFFFAOYSA-N 318.381 -0.194 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)[C@H]2C[C@@H]2OCC)CC1 1204613719 GKNXAXMGCDCHQO-GJZGRUSLSA-N 321.421 -0.011 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)CC2(O)CCC2)[C@H](C)C1 1206943092 ZSJCFESCZUNBNH-MGPQQGTHSA-N 321.421 -0.134 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)Cc2cnn(C)c2)C1 1207622034 BOAICOWLSNCRTN-AWEZNQCLSA-N 317.393 -0.707 30 20 DBED Cc1nn(C)cc1C(=O)N1CCC[C@@H](NCC(=O)NCC#N)C1 1207705331 LWMZNWRGTOHKGU-GFCCVEGCSA-N 318.381 -0.438 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)CCCF)[C@H](OC)C1 1213290512 RHONYPCSPDXFDP-YNEHKIRRSA-N 313.373 -0.311 30 20 DBED C#CCCN1C[C@@H](NC(=O)CCN2CCCC2=O)[C@H](OC)C1 1213870118 RCZOLKZCKAWCAE-ZIAGYGMSSA-N 307.394 -0.162 30 20 DBED C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1NCCOCCO 1214174006 QPRPBSCVCWRSOI-VXGBXAGGSA-N 301.412 -0.311 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)c2ccoc2)C1 1219178893 SDEQAMIVLOIMHF-RTXFEEFZSA-N 305.334 -0.808 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)c2cnn(C)c2C)C1 1219180517 GJLHXLXKYLQETJ-KGLIPLIRSA-N 308.382 -0.294 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)CCc2cnn(C)n2)C1 1220363537 BTTLGSBNEICZND-NEPJUHHUSA-N 313.789 -0.339 30 20 DBED C=C[C@](C)(O)CC(=O)N1C[C@H]2CCN(Cc3nnnn3C)C[C@H]21 1221516180 GFUFYUXGTOXKMS-JMSVASOKSA-N 320.397 -0.430 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)[C@@H]2CCN(C)C2)CC1 1225428242 YYHCOTPJRLZFFR-OAHLLOKOSA-N 320.437 -0.484 30 20 DBED COCC(C)(C)C(=O)NC1CCN(CC(=O)NCC#N)CC1 1228293890 FVYJKFVMSDPVAM-UHFFFAOYSA-N 310.398 -0.121 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)c2nonc2C)CC1 1230442456 LOXORBRMYYMDFM-UHFFFAOYSA-N 305.338 -0.678 30 20 DBED C=CCN(C(=O)Cn1ncn2nccc2c1=O)[C@H](C)COC 1261779976 BIJAKFHZDUYEDC-LLVKDONJSA-N 305.338 -0.060 30 20 DBED CN1CCC(C#N)(NC(=O)CN2CCCS2(=O)=O)CC1 1318359332 QKOMHKIANAGLDT-UHFFFAOYSA-N 300.384 -0.874 30 20 DBED C=CCS(=O)(=O)CCNC(=O)CC1(CS(C)(=O)=O)CC1 1323700526 GHPHCUFMBBFGTP-UHFFFAOYSA-N 323.436 -0.082 30 20 DBED O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CC(=O)N(C2CC2)C1 1326781435 KTMMIARUNSFIFG-PFONDFGASA-N 318.333 -0.306 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N1CC[C@H](CC(N)=O)C1 1329118017 BYHGVEXMCUSMJE-SNVBAGLBSA-N 303.384 -0.506 30 20 DBED C#CC[C@H](CCOC)NC(=O)[C@]1(OC)CCS(=O)(=O)C1 1333661819 JPCWTNCIZDGFIL-YPMHNXCESA-N 303.380 -0.265 30 20 DBED C#CCN(C(=O)C(=O)NCCS(=O)(=O)CC=C)C(C)C 1334925677 OBIGTQPBSOLINT-UHFFFAOYSA-N 300.380 -0.426 30 20 DBED CCOC[C@H]1CN(C(=O)C(=O)N2CC[C@@](F)(C#N)C2)CCO1 1335087501 ZRCMJBTXRZQZSH-BXUZGUMPSA-N 313.329 -0.286 30 20 DBED C=CCNC(=O)[C@H](C#N)C(=O)c1cn(CC2(C)COC2)nn1 1341915187 PLBLINDVKLEJBV-SNVBAGLBSA-N 303.322 -0.061 30 20 DBED C=C(C)Cn1c(C(N)=O)nnc1N1CCN2C(=O)CC[C@H]2C1 1342218358 MWUMDDKNYOVLTE-JTQLQIEISA-N 304.354 -0.236 30 20 DBED C=CC[C@@H]1NC(=O)N(c2ccn(CCN3CCNC3=O)n2)C1=O 1350693576 OGDYGCHPLTUXAI-JTQLQIEISA-N 318.337 -0.091 30 20 DBED C=CCn1c([C@H](O)COC)nnc1N1CCN2CCOC[C@@H]2C1 1356192294 HJFZZMIYSLPLTN-QWHCGFSZSA-N 323.397 -0.335 30 20 DBED Cc1nnc(CN(C)C(=O)CCn2cc(C#N)c(O)nc2=O)o1 1362936873 RZDSGZZXYWWQHN-UHFFFAOYSA-N 318.293 -0.439 30 20 DBED CN(C)[C@@H]1CCC[C@H]1NC(=O)Cn1cc(C#N)c(O)nc1=O 1362979072 RLTYIBKCTXRMIX-GHMZBOCLSA-N 305.338 -0.581 30 20 DBED CNC(=O)N[C@@H]1CCCN(C(=O)[C@H](C)n2cnc(C#N)n2)C1 1364787379 BKZQSBSMBALHPX-VHSXEESVSA-N 305.342 -0.369 30 20 DBED CCCN(CCC)C(=O)CN1CC(O)(CNC(=O)[C@H](C)C#N)C1 1368290464 QSCBRRFYOQCRAE-CYBMUJFWSA-N 324.425 -0.042 30 20 DBED C[C@@H](CC(N)=O)C(=O)N[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 1372277916 BSSVWOOXEVZJLF-ONGXEEELSA-N 317.349 -0.271 30 20 DBED C[C@H](C#N)C(=O)N[C@@H](CNC(=O)c1cn(C)c(=O)n1C)C1CC1 1372385863 AIDXWUXEQQTUAL-KOLCDFICSA-N 319.365 -0.492 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1occ2c1CCOC2 1376652249 BRZHVJKRPKPVSZ-MWLCHTKSSA-N 321.333 -0.281 30 20 DBED COC(=O)NCC(=O)N(C)C[C@H](C)NC(=O)c1c[nH]c(C#N)c1 1383659010 AIBVUAVBBXKGLE-VIFPVBQESA-N 321.337 -0.181 30 20 DBED CCO[C@H](C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 1383998314 RCIPJTFGTXQRGI-OASPWFOLSA-N 320.349 -0.387 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1C[C@@H](NC(=O)CN2CCOCC2)C1 1384548404 NWWARFCPSLPLFM-RWMBFGLXSA-N 308.382 -0.511 30 20 DBED COCCN(CCNC(=O)[C@@H](C)C#N)C(=O)Cc1ncc[nH]1 1396174408 RFCHJJTWDYZDKN-NSHDSACASA-N 307.354 -0.297 30 20 DBED C[C@H](C(=O)N(C)Cc1nnc2n1CCC2)n1cnc(C#N)n1 1411622548 PRKZQTXQGNGKEF-SECBINFHSA-N 300.326 -0.093 30 20 DBED N#Cc1cccc([C@H]2CN(C(=O)[C@H](CO)NC(N)=O)CCO2)c1 1412008366 QAHBYRFYYPLGCI-QWHCGFSZSA-N 318.333 -0.513 30 20 DBED CCc1nc(C)c(CNC(=O)Cn2cc(C#N)c(O)nc2=O)o1 1412996792 AMORBFBADJQWLI-UHFFFAOYSA-N 317.305 -0.004 30 20 DBED N#Cc1ncn(CCNC(=O)N2CCC(F)(F)[C@@H](CO)C2)n1 1413816592 JDWPJIDXTPIFQH-SECBINFHSA-N 314.296 -0.191 30 20 DBED N#Cc1c[nH]c(C(=O)NC2CN(C(=O)CCCC(N)=O)C2)c1 1415981770 FRXVDFUDMZKUGJ-UHFFFAOYSA-N 303.322 -0.517 30 20 DBED CC[C@@H](CNC(=O)c1cccc(C(N)=O)n1)NC(=O)[C@H](C)C#N 1416242021 NDUNYBVCILVLQK-ZJUUUORDSA-N 317.349 -0.035 30 20 DBED CC[C@@H]1CC[C@H](C(=O)NCCn2cc(C#N)c(O)nc2=O)O1 1418535857 DKKDOQYBOUKGBB-GHMZBOCLSA-N 306.322 -0.106 30 20 DBED C[C@H](C#N)C(=O)NC1CN(C[C@@H](O)COC2CCOCC2)C1 1421026701 UJRSJMHGWQXBGV-DGCLKSJQSA-N 311.382 -0.497 30 20 DBED C[C@@H](CNC(=O)c1ccc2nnnn2c1)N(C)C(=O)[C@H](C)C#N 1424202857 CIJHFWJQYCHHJT-ZJUUUORDSA-N 315.337 -0.139 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H]1CNC(=O)CNC(=O)C1CC1 1430935980 POMAYOSMSRSLOC-CMPLNLGQSA-N 306.366 -0.221 30 20 DBED C[C@H](C(=O)N1CCC2(CCNC2=O)CC1)n1cnc(C#N)n1 1434350767 PVSFPLSAEVTXIM-SNVBAGLBSA-N 302.338 -0.161 30 20 DBED C[C@H](C#N)C(=O)NCCN1CCN(C(=O)C2=CCOCC2)CC1 1446925995 ZZJKYWWAKWQBNO-CYBMUJFWSA-N 320.393 -0.247 30 20 DBED C[C@@H]1[C@H](NC(=O)N2CC[C@](O)(CC#N)C2)CCS1(=O)=O 1479096208 RDRAFJQHJTZXKC-CKYFFXLPSA-N 301.368 -0.378 30 20 DBED C[C@@H](C#N)C(=O)NCC1CN(C(=O)c2cc(=O)n(C)cn2)C1 1498678003 OFWFMGWTYBDGQP-VIFPVBQESA-N 303.322 -0.872 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)[C@H](C)S(C)(=O)=O)CC1 1506134246 JDMXIPNGBBMHIA-IUCAKERBSA-N 301.368 -0.656 30 20 DBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H](O)CC(=O)O 1573653803 CSKKSZFDKVOVLI-ONGXEEELSA-N 319.321 -0.779 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2CN(C(=O)O)C[C@@H]2CO)cc1O 1574245227 IVWKHDWQRUARPL-MNOVXSKESA-N 305.290 -0.036 30 20 DBED CN(C)C[C@]1(O)CCN(C(=O)C2CC3(CNC[C@H]3C#N)C2)C1 1578412847 VMKGBPCXMDACBL-QFXNTCPOSA-N 306.410 -0.349 30 20 DBED COCC#CCNCCN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 1579619376 QSPFGOBQOSIANY-UHFFFAOYSA-N 317.353 -0.494 30 20 DBED C#CCCCC(=O)NCCNc1ccc(-c2nn[nH]n2)nn1 1588340203 INFFFMWHFVJOQB-UHFFFAOYSA-N 300.326 -0.012 30 20 DBED C#CCCN1CCN(S(=O)(=O)C2(C(=O)O)CCC2)CC1 1588453741 QQUONXBJNDGZNN-UHFFFAOYSA-N 300.380 -0.036 30 20 DBED C[C@@](C#N)(CC(=O)O)C(=O)NC[C@]12COCCN1C(=O)OC2 1588557254 HZBMLETUFROLFQ-QWHCGFSZSA-N 311.294 -0.672 30 20 DBED O=C(NCC#CCO)C1=NN(c2ccccc2)[C@H](C(=O)O)C1 1594736355 DUAYWWDPCBZJJY-ZDUSSCGKSA-N 301.302 -0.182 30 20 DBED C#CCN(C)CCCNC(=O)COCc1ocnc1C(=O)O 1602713952 WZYVQFMXTLWIIF-UHFFFAOYSA-N 309.322 -0.039 30 20 DBED C[C@H](CNc1c(C#N)cccc1-c1nn[nH]n1)S(N)(=O)=O 1609114026 RLNIGJXDTRDHKQ-SSDOTTSWSA-N 307.339 -0.173 30 20 DBED CC(=O)NC[C@H]1CN(C(=O)NCc2ccc(C#N)cn2)CCO1 1649808402 PUQVFBWDJLYROM-AWEZNQCLSA-N 317.349 0.000 30 20 DBED CCOCCNC(=O)CN[C@H]1C[C@H](NC(=O)C#CC2CC2)C1 1752652539 LGCXTVNOIMQIHZ-HDJSIYSDSA-N 307.394 -0.211 30 20 DBED COCC#CCN[C@H]1C[C@H](NC(=O)c2c(C)ncnc2O)C1 1752655506 TZKYWZDKESHWDA-HAQNSBGRSA-N 304.350 -0.009 30 20 DBED C#CCNC(=O)CN[C@@H](C)CNC(=O)c1ccn(C(C)C)n1 1752905918 GZYYKEYFRNBOSW-LBPRGKRZSA-N 305.382 -0.079 30 20 DBED CN(CC(=O)NCC#N)[C@H]1CCCN(C(=O)COCC2CC2)C1 1752987996 XOVKSECKDHBWLG-AWEZNQCLSA-N 322.409 -0.024 30 20 DBED C=CCOCC(=O)N1CCC[C@@H](N(C)CC(=O)NCC#N)C1 1752988442 LKTFUEAHFIDNCF-CYBMUJFWSA-N 308.382 -0.248 30 20 DBED C#CCNC(=O)[C@H](C)N(C)C[C@H](C)NC(=O)c1nccnc1N 1754303804 BMBQHBYHCQPKAX-QWRGUYRKSA-N 318.381 -0.753 30 20 DBED C=CCCN1CCC[C@](CO)(NC(=O)CCS(C)(=O)=O)C1 1754854960 FEHBDSPSQVBKNJ-AWEZNQCLSA-N 318.439 -0.060 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)CN2CCCNC2=O)CCO1 1755005390 OIZJQDFFRDOQFC-CYBMUJFWSA-N 308.382 -0.758 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)C(=O)NCC(F)F)C[C@@H]1C 1755112295 UFEAPJSTXBEEJN-WDEREUQCSA-N 317.336 -0.546 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1(CCO)CN(CCCOC)C1 1755332715 JQJANIYQLYFXGQ-HNNXBMFYSA-N 323.437 -0.327 30 20 DBED C[C@@H](NC(=O)C#CC1CC1)C1CN(CCNS(C)(=O)=O)C1 1755374276 PSBYZVZVCCJNIV-LLVKDONJSA-N 313.423 -0.615 30 20 DBED CC(=O)Nc1ccc(C(=O)NC[C@@H](CO)NCC#N)cc1F 1755648713 IHLYMKZRLNLJGJ-NSHDSACASA-N 308.313 -0.012 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)c2nnn(C)c2C)[C@H]1C 1755650196 HZTHKCICMOWFFT-WCQYABFASA-N 305.382 -0.034 30 20 DBED C#CCNC(=O)CN[C@H]1CN(C(=O)[C@H](OC)C2CC2)CC1(C)C 1755754921 DMOTXTZLXCFSMA-DZGCQCFKSA-N 321.421 -0.013 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@@H](O)CN(C)C(=O)c1cc(C)no1 1755773706 UZSPLTOYGHTRAI-VXGBXAGGSA-N 322.365 -0.857 30 20 DBED CN(C[C@@H](O)CNCc1nnn(C)n1)C(=O)C#CC(C)(C)C 1755779798 QWOGXFRVRVSDGC-NSHDSACASA-N 308.386 -0.832 30 20 DBED C=CCNC(=O)[C@H](C)N(C)C[C@H](O)CN(C)C(=O)C#CC1CC1 1755800756 MTDTXDUGNMYAHM-ZFWWWQNUSA-N 321.421 -0.158 30 20 DBED CC(C)C#CC(=O)N(C)C[C@@H](O)CNC(=O)c1cnn(C)n1 1756661807 FYTFIDFUIJHFAZ-NSHDSACASA-N 307.354 -0.976 30 20 DBED CCOC1CC(C(=O)N2C[C@@H](O)[C@H](NC(=O)C#CC3CC3)C2)C1 1756993539 FHGHVSDOPSYGQN-NEXFUWMNSA-N 320.389 -0.097 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@]1(C)CCCN1)CCO2 1783052611 CBKBSAPVJZIPNH-HZPDHXFCSA-N 305.378 -0.408 30 20 DBED C#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)COCCO)CCO2 1785428145 PVWWTJUBKLBUPS-MRXNPFEDSA-N 324.377 -0.761 30 20 DBED CC[C@H](NC)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C#CC(=O)O)C2 1796180590 NPHJJHNXAGMVAX-RNJOBUHISA-N 321.377 -0.289 30 20 DBED C#CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CNC(N)=O)[nH]n1 1821878233 AUDVRZOMEYNIKT-JTQLQIEISA-N 318.337 -0.297 30 20 DBED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)[C@@H]2C=CCN2)C1 1843331877 QFFANWVEGVQQCS-KGLIPLIRSA-N 317.389 -0.244 30 20 DBED COC(=O)c1cc(C#N)c(=O)n(CC(=O)Nc2nc(C)no2)c1 108964430 MXGWHKBMETXFMN-UHFFFAOYSA-N 317.261 -0.163 30 20 DBED Cn1c(=O)c2ccc(C(=O)NC(C)(C)C#N)nc2n(C)c1=O 124406348 LDOGIKBSTBDMTR-UHFFFAOYSA-N 301.306 -0.336 30 20 DBED C=C(C)CNC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 152998462 PHZCTAZXGWPAFJ-WDEREUQCSA-N 300.380 -0.286 30 20 DBED C#CCN1CCN(C(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)CC1 176662945 GQKMFLHXWRQNQS-LBPRGKRZSA-N 301.350 -0.460 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(C)C[C@H]2CCOC2)C1=O 267442359 OJWMSMVAGBXJQN-SNVBAGLBSA-N 309.322 -0.542 30 20 DBED C=CCCO[C@H](C)C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)OC 273943631 DHRXDRUMYOIVHC-MNOVXSKESA-N 319.379 -0.234 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2[C@H]3CC[C@H]2CC(=O)C3)C1=O 275300386 YNTSLVFUHSNIPH-UWVGGRQHSA-N 319.317 -0.314 30 20 DBED CN1CCOC[C@@H]1/C(O)=N/[C@H]1CCN(c2cnn(C)c2)C1=O 329032350 QBBANAQYVRWRFO-NWDGAFQWSA-N 307.354 -0.188 30 20 DBED Cc1onc(CC(=O)N2CCN(C(=O)[C@@H](C)O)CC2)c1C#N 330764438 PQRAWRQAWLXCNU-SECBINFHSA-N 306.322 -0.551 30 20 DBED Cc1nc(S(=O)(=O)NCC(=O)N(C)C[C@H](C)C#N)cn1C 337998938 AIAMRHAUALRCFF-SECBINFHSA-N 313.383 -0.375 30 20 DBED CC(C)(C)[C@H]1NC(=O)CC[C@@H]1NC(=O)NCC(=O)NCC#N 347693527 XBLKVNRCZWIKND-CABZTGNLSA-N 309.370 -0.381 30 20 DBED CCC[C@H](NS(=O)(=O)N(CCC#N)CCOC)C(N)=O 352538238 HHLUWIDDVKMQHV-JTQLQIEISA-N 306.388 -0.663 30 20 DBED COCC[C@@H](NS(=O)(=O)N(C)[C@H](C)CC#N)C(=O)OC 352586051 LVNKHRSIUAEBJV-NXEZZACHSA-N 307.372 -0.367 30 20 DBED C=CCNC(=O)CNS(=O)(=O)[C@@H]1CCCC[C@H]1C(=O)OC 356617288 HPNJQDYVPWMMEN-GHMZBOCLSA-N 318.395 -0.060 30 20 DBED C=C[C@H](CO)NC(=O)c1cc(S(=O)(=O)NCCOC)c[nH]1 356849161 OEOUVIQGYCZGFN-SECBINFHSA-N 317.367 -0.784 30 20 DBED C=C[C@H](CO)NC(=O)NCCN1CCN(c2ncccn2)CC1 358523509 RXCWHRZDPVVFIZ-CYBMUJFWSA-N 320.397 -0.555 30 20 DBED C#CCCCS(=O)(=O)N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 376391142 JBAFGOCKBXISRE-LLVKDONJSA-N 313.379 -0.302 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2cc(C)n(C)n2)CC1 491166811 URPAHPVTOWISDS-UHFFFAOYSA-N 303.366 -0.764 30 20 DBED C[C@H](C#N)CNS(=O)(=O)c1cnc2c(c1)c(O)nc(=O)n2C 530586939 XEPPIYXRUSVSGV-SSDOTTSWSA-N 323.334 -0.528 30 20 DBED C[C@H]1COCCN1CCNC(=O)C(=O)Nc1cccc(C#N)n1 566204086 GEJAOBRLODVMCE-NSHDSACASA-N 317.349 -0.271 30 20 DBED COC(=O)C[C@@H](NS(=O)(=O)N(C)[C@H](C)CC#N)C(=O)O 570519734 YXZVAPKHYWAASW-HTQZYQBOSA-N 307.328 -0.929 30 20 DBED CCN(CCC#N)S(=O)(=O)N1C[C@@H](O)C[C@H](C(=O)OC)C1 592120611 YYYSULRYKGLFKC-QWRGUYRKSA-N 319.383 -0.677 30 20 DBED C=CCCSCCNC(=O)C(=O)N1CCO[C@H](C(N)=O)C1 595152249 ZEIULRYOQKEQNN-JTQLQIEISA-N 315.395 -0.875 30 20 DBED CCOC(=O)CNC(=O)[C@H]1COCCN1C(=O)[C@@H](C#N)CC 597631989 OUURODSKKWJGFB-GHMZBOCLSA-N 311.338 -0.557 30 20 DBED C[C@H]1CO[C@H](C)CN1CCNC(=O)[C@@H](C)n1cnc(C#N)n1 597992643 CIKFOZNDGHTBKH-QJPTWQEYSA-N 306.370 -0.064 30 20 DBED CC(C)(O)[C@H]1CCCN1C(=O)C(=O)N1CCN(CCC#N)CC1 601460667 XYPZDWCOCWSABD-CYBMUJFWSA-N 322.409 -0.194 30 20 DBED N#CCCN1CCN(C(=O)C(=O)N2CCOC3(CCC3)C2)CC1 601464646 MCHOZUCWLDPVKJ-UHFFFAOYSA-N 320.393 -0.174 30 20 DBED CNS(=O)(=O)CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 610585206 ITOFBOMFGRVVGC-NSHDSACASA-N 302.400 -0.772 30 20 DBED CNC(=O)Cn1nc(NC(=O)N2CCO[C@@H](C#N)C2)cc1C 611247064 GZOAOXQUUWLGOJ-JTQLQIEISA-N 306.326 -0.306 30 20 DBED C[C@H](C#N)CNC(=O)N[C@H]1CCN(CCN2CCOCC2)C1 611624033 QHBNPOJZWIJAFU-KGLIPLIRSA-N 309.414 -0.148 30 20 DBED C=C[C@H](O)C(=O)NCCNS(=O)(=O)c1ccc(C)s1 612708167 GMIXFWMSHFAORA-VIFPVBQESA-N 304.393 -0.002 30 20 DBED CC[C@](C)(C#N)NC(=O)C(=O)c1cc(S(N)(=O)=O)cn1C 667737210 HIGALYCGALBGLP-GFCCVEGCSA-N 312.351 -0.336 30 20 DBED CCc1nc(CN2CCN(CC(=O)NCCC#N)CC2)no1 750051240 VWNXAYQMKXPXBD-UHFFFAOYSA-N 306.370 -0.221 30 20 DBED CCCCCC=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 755803012 DIVPSFMHQQKINS-UHFFFAOYSA-N 316.383 -0.072 30 20 DBED C#C[C@@H](NC(=O)NCCCN(C)S(C)(=O)=O)[C@H]1CCCO1 773232543 TUMWVYSVFVISBD-VXGBXAGGSA-N 317.411 -0.252 30 20 DBED C#C[C@H](NC(=O)NC[C@H](O)COCCOCC)[C@H]1CCCO1 790503199 SSPKQONJPONQQQ-MELADBBJSA-N 314.382 -0.120 30 20 DBED C#CCC[C@@H](O)CNC(=O)NC1CCN(CC(=O)NC)CC1 798365535 UKFOLIGTDBXECN-CYBMUJFWSA-N 310.398 -0.730 30 20 DBED C#CCC[C@H](O)CNC(=O)NC[C@H]1CCCN1S(C)(=O)=O 798443379 JXLRCHOTUCIEKT-NEPJUHHUSA-N 317.411 -0.516 30 20 DBED C[C@H]1CC(=NC(=O)CNc2ccc(-c3nn[nH]n3)cn2)NO1 824883329 GMICISKAUDQIFP-ZETCQYMHSA-N 302.298 -0.088 30 20 DBED C#CCNS(=O)(=O)c1ccc(C(=O)NCC(=O)NCC)cc1 842264010 XVIBJCGBZJQRPK-UHFFFAOYSA-N 323.374 -0.536 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)CC1 859180131 RXYLVZAMUJZPRY-HOSILWTGSA-N 321.421 -0.061 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)N(CC)C(C)C)CC1 872515206 IMZNQWITUSGTPL-UHFFFAOYSA-N 316.427 -0.078 30 20 DBED COCCNC(=O)[C@H](C#N)C(=O)c1ccc(-n2cnnn2)cc1 916892720 ONCVXKISDHXRPD-GFCCVEGCSA-N 314.305 -0.253 30 20 DBED C#CCNC(=O)[C@@H](C)OC(=O)CNC(=O)OCC(F)(F)F 919558278 HEDCDYQSJXQVPY-SSDOTTSWSA-N 310.228 -0.044 30 20 DBED C[C@H](C#N)C(=O)N1CCC2(CC1)CN(C(=O)Cn1ncnn1)C2 945030282 HZBVSLBZXGBWPO-LLVKDONJSA-N 317.353 -0.716 30 20 DBED Cn1cnc(C(=O)NC[C@H]2CCN2C(=O)C#CC2CC2)cc1=O 950762517 UCNLTIHXJQTHLI-GFCCVEGCSA-N 314.345 -0.476 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CCC[C@H](C1)N2C(=O)Cn1cnnn1 952784727 RFUPCEAHYUAFBP-UTUOFQBUSA-N 317.353 -0.575 30 20 DBED C#CCCN1C[C@@H](O)[C@H](CNC(=O)c2nc[nH]c3nccc2-3)C1 958219568 KNHKADPZCHOLNI-DGCLKSJQSA-N 313.361 -0.045 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cnc3c(cnn3C)c2)C1 958527189 WUYSIWOKIFTHTJ-UONOGXRCSA-N 313.361 -0.376 30 20 DBED N#CCN1C[C@H](CNC(=O)c2cc(C(N)=O)cs2)[C@@H](O)C1 958728239 MOGBKKRNZPDVQT-UWVGGRQHSA-N 308.363 -0.607 30 20 DBED Cc1nc[nH]c1C(=O)N(C)[C@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1O 958888321 PPGRGCQBIGUMSS-MIMYLULJSA-N 305.338 -0.479 30 20 DBED C#CCN1C[C@H]2C(NC(=O)C3CC4(C3)CS(=O)(=O)C4)[C@@H]2C1 960555390 RLJAUORUIZWTQN-VXGBXAGGSA-N 308.403 -0.509 30 20 DBED C=CCN1CC[C@H](N2C[C@H]3C(NC(=O)c4cnn[nH]4)[C@@H]3C2)C1=O 960742912 NGPZVOWECJWODS-FOGDFJRCSA-N 316.365 -0.748 30 20 DBED C#CCOc1ncccc1C(=O)N1C[C@H](O)[C@H](NC(C)=O)C1 961071248 RMVDXRZPIYFAKS-OLZOCXBDSA-N 303.318 -0.585 30 20 DBED CC#CCN1CC[C@@H](C)[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 966165653 GYYZUQBERKTHBU-NEPJUHHUSA-N 318.381 -0.773 30 20 DBED CCN(C(=O)[C@@H]1CCC(=O)N1)C1CN(C(=O)C#CC2CC2)C1 968193189 AUBASRYZJAWFRF-ZDUSSCGKSA-N 303.362 -0.262 30 20 DBED C=CCN1CC[C@H](C)[C@@H](NC(=O)CN2CCC(=O)NC2=O)C1 968514929 ZXPWVNIFMWLFQM-RYUDHWBXSA-N 308.382 -0.059 30 20 DBED Cc1n[nH]cc1C(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 969439967 NBQLIGSRHAVVMW-OLZOCXBDSA-N 302.334 -0.567 30 20 DBED C[C@@H](NC(=O)c1c[nH]c(C#N)c1)C1CN(CCS(C)(=O)=O)C1 969526061 IVDOWJYKIPKZMB-SNVBAGLBSA-N 324.406 -0.019 30 20 DBED C=CCn1cc(C(=O)N[C@H](C)C2CN([C@@H]3CCNC3=O)C2)nn1 970544626 PQASEVGEDGOOTF-ZWNOBZJWSA-N 318.381 -0.597 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)C[C@@H]3COC(=O)C3)C2)C1 972344275 UQMJCTPYOUDPHQ-BBRMVZONSA-N 306.362 -0.124 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)C[C@@H]3CCC(=O)NC3)C2)C1 972408682 MGXOETLMTGRYQX-WMLDXEAASA-N 319.405 -0.161 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)CN3CCCC3=O)[C@H]2C1 976144943 ZAXXYRTTZXAZAG-PUHVVEEASA-N 304.350 -0.659 30 20 DBED N#CCN1C[C@H]2C(CNC(=O)C3CCN(C(N)=O)CC3)[C@@H]2C1 979050309 TXWUNAGYUQDRRL-STQMWFEESA-N 305.382 -0.405 30 20 DBED C=CCCN1C[C@H]2[C@H](CNC(=O)[C@H]3CCS(=O)(=O)N3)[C@H]2C1 979069503 BKANUXOCXYVRQZ-FVCCEPFGSA-N 313.423 -0.452 30 20 DBED C[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)CC(N)=O 987532192 CBPAFRAJKYGLLI-SCZZXKLOSA-N 303.322 -0.519 30 20 DBED C#Cc1ccc(C(=O)N2CC(NC(=O)[C@H]3COC(=O)N3)C2)cc1 991120860 QNHBRWJEGZRVOQ-CYBMUJFWSA-N 313.313 -0.283 30 20 DBED COCC(=O)N1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H](O)C1 991405075 UFFIRVOIFNGNAT-PWSUYJOCSA-N 306.322 -0.776 30 20 DBED C=CCN[C@H]1CN(C(=O)CCn2ncn(C)c2=O)CC1(C)C 996099557 MUHCRAWBKPIRLJ-LBPRGKRZSA-N 307.398 -0.016 30 20 DBED N#CCN1CC=C(CNC(=O)[C@H]2CCc3nnnn3CC2)CC1 1001178539 DJUIRBQENAZHJW-ZDUSSCGKSA-N 315.381 -0.103 30 20 DBED C[C@H](C#N)C(=O)N1CC(CNC(=O)[C@H]2CCCCN(C)C2=O)C1 1003313529 CYJZGMAUVRCTGF-DGCLKSJQSA-N 320.393 -0.021 30 20 DBED C#CCN1CCC[C@@H](NC(=O)c2coc(S(N)(=O)=O)c2)C1 1007676264 AAUKURTYKYPRRV-LLVKDONJSA-N 311.363 -0.246 30 20 DBED Cn1oc(C(=O)NC2[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]23)cc1=O 1013015038 YVRPHJUFUQXDPD-GHMZBOCLSA-N 315.329 -0.422 30 20 DBED COc1ccc(C(=O)NC2[C@@H]3CN(C(=O)[C@@H](C)C#N)C[C@@H]23)nn1 1013783366 SZOIGCMRVCCYFE-IVZWLZJFSA-N 315.333 -0.169 30 20 DBED N#Cc1cc(C(=O)N2CC[C@H](N[C@H]3CCCNC3=O)C2)c[nH]1 1018738010 NBENYFWNTGDWKU-AAEUAGOBSA-N 301.350 -0.031 30 20 DBED C[C@@H](C#N)C(=O)N1CCCO[C@H](CNC(=O)c2cccnn2)C1 1019657833 YLGDXBXSMOPKCY-NWDGAFQWSA-N 317.349 -0.016 30 20 DBED N#CCN1[C@H]2CC[C@H]1CC(NC(=O)CN1C(=O)CNC1=O)C2 1021454448 DMVYZPPLUOTHDR-QWRGUYRKSA-N 305.338 -0.827 30 20 DBED C=CCn1cc(C(=O)N2CCC[C@@H](N(C)[C@@H](C)C(N)=O)C2)nn1 1027606568 IDXPYOGSGQVCMU-NWDGAFQWSA-N 320.397 -0.126 30 20 DBED CC#CCN1CC[C@@H](CNC(=O)[C@@H]2CC(=O)N(CCOC)C2)C1 1028576535 BXSMNRGJOULZAP-LSDHHAIUSA-N 321.421 -0.057 30 20 DBED O=C(Cn1cnnc1O)NC1CN(CC#Cc2ccccc2)C1 1030237759 LBVVKVDOGQCBPC-UHFFFAOYSA-N 311.345 -0.164 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C[C@@H](O)Cn2cccn2)C1 1030979308 JYLVMNLWAGVHJT-KFWWJZLASA-N 320.393 -0.365 30 20 DBED CN(C(=O)CN1CCCS1(=O)=O)[C@H]1CCN(CC#N)C1 1033132126 QHCBDLFKXNLTKN-NSHDSACASA-N 300.384 -0.922 30 20 DBED C#CCN1CCO[C@H](CNC(=O)c2cn(C)nc2COC)C1 1035422716 JUVPODWHMIWKDP-GFCCVEGCSA-N 306.366 -0.370 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)c2ccc3nnc(O)n3c2)C1 1035548107 XIKZAZTWKLPSKK-LBPRGKRZSA-N 315.333 -0.501 30 20 DBED C#CCOCCC(=O)N1CC[C@](O)(CNC(=O)[C@@H](F)CC)C1 1040556025 DKOMIXSZCVUCJZ-WFASDCNBSA-N 314.357 -0.146 30 20 DBED C=CCN1CC[C@]2(CCN(C(=O)CN3CC(=O)NC3=O)C2)C1 1041744180 XWIWRWSJRJJSLG-HNNXBMFYSA-N 306.366 -0.351 30 20 DBED Cc1ncc(C(=O)NCC2(O)CN(C(=O)[C@H](C)C#N)C2)s1 1041897561 KMCUADXSCDVZPO-MRVPVSSYSA-N 308.363 -0.086 30 20 DBED CC#CCN1CC[C@H]2CCN(C(=O)CN3CC(=O)NC3=O)C[C@H]21 1042273588 SXQDVKUCBNIPCP-QWHCGFSZSA-N 318.377 -0.516 30 20 DBED C#CCCN1CC[C@H]2CCN(C(=O)CN3C(=O)CNC3=O)C[C@@H]21 1042345732 NBIHKBJNBIZQDK-STQMWFEESA-N 318.377 -0.516 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)[C@@H](COC)OC)C1 1042801633 OJAOTEAODFBYMU-GFCCVEGCSA-N 312.366 -0.859 30 20 DBED C#CCN1CC(N(C)C(=O)c2cccc(OCC(N)=O)c2)C1 1042843616 FPSFBLRBDGQINX-UHFFFAOYSA-N 301.346 -0.060 30 20 DBED O=C(NCC1(O)CN(C(=O)C#CC2CC2)C1)[C@H]1C[C@@H]1C(F)F 1042866841 MQNSCUKNPQDDFK-QWRGUYRKSA-N 312.316 -0.010 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)CC2(O)CCC2)C1 1042944737 ALMAZSBZBGFCTQ-UHFFFAOYSA-N 312.366 -0.816 30 20 DBED CC(C)[C@@H](O)C(=O)N1CC(O)(CNC(=O)C#CC(C)(C)C)C1 1042965488 ANGVRLWLBSGOBE-CYBMUJFWSA-N 310.394 -0.258 30 20 DBED CO[C@@H]1CN(c2nccnc2C#N)C[C@H]1NC(=O)c1cnn[nH]1 1043025105 IXIGOQOWBJWASA-GHMZBOCLSA-N 314.309 -0.900 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)CCSC)C1 1043042218 NGFHLUAQUYFZHH-LLVKDONJSA-N 314.407 -0.533 30 20 DBED CC(C)N1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@H](C)C#N)C1 1043043341 IPQVORYMIWHEDY-OLZOCXBDSA-N 322.409 -0.292 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCN(C)[C@@H]2C)C1 1043266293 HHLYSELFHAJVNB-CHWSQXEVSA-N 309.410 -0.018 30 20 DBED CCc1nc(C#N)cc(N2C[C@H](O)[C@H](NC(=O)C3CC3)C2)n1 1043823706 UDYNBAUSENTMJE-NEPJUHHUSA-N 301.350 -0.014 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)[C@H]2C[C@@H](C)CO2)C1 1044558361 URFWDGIZGODELE-CHWSQXEVSA-N 308.378 -0.240 30 20 DBED N#CCN1CC[C@H](N2CCN(C(=O)c3ccnnc3)CC2)C1 1046067552 OVMLWVWMKHLXCL-AWEZNQCLSA-N 300.366 -0.168 30 20 DBED COCCN1C[C@@H](C(=O)N[C@@]2(C)CCN(CC#N)C2)CC1=O 1046365325 MSYUBFKLIHPBMJ-WFASDCNBSA-N 308.382 -0.415 30 20 DBED C=CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1 1047384256 PARYXLQFJSGZSH-MQYQWHSLSA-N 309.410 -0.019 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)Cc2nnn(C(C)(C)C)n2)C1 1047394950 WMUJXUQKUYOBEK-RYUDHWBXSA-N 320.397 -0.893 30 20 DBED C=C1CC(C)(C(=O)N(C)[C@H]2CN(Cc3nc(O)n[nH]3)C[C@@H]2O)C1 1047519357 DPKAEFHBIMXNNO-QWRGUYRKSA-N 321.381 -0.130 30 20 DBED C#CCCCC(=O)N(C)[C@H]1CN(C(=O)CCN(C)C)C[C@@H]1O 1048757502 GXPSAHMZLPOIPA-KBPBESRZSA-N 309.410 -0.228 30 20 DBED C=C(C)CN1C[C@H]2CN(C(=O)[C@@H]3CCS(=O)(=O)N3)C[C@H]2C1 1049219049 CVPFJPIDNBNIER-XQQFMLRXSA-N 313.423 -0.356 30 20 DBED Cn1cnn(CC(=O)N2CCC[C@H]3[C@@H]2CCN3CC#N)c1=O 1049561404 KSGGRYFEQORUNI-RYUDHWBXSA-N 304.354 -0.829 30 20 DBED CC#CCN1CCOC[C@@H]1CNC(=O)c1nc2ncccn2n1 1051169975 HJMZDONJBADCRN-LBPRGKRZSA-N 314.349 -0.422 30 20 DBED C=CCN1CCOC[C@@H]1CNC(=O)c1cn([C@H]2CCOC2)nn1 1051202208 GUTCORLHLHYDCU-STQMWFEESA-N 321.381 -0.144 30 20 DBED C=C(C)CN1CCC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)CC1 1052393533 NTTHBOLAMVWRTI-LBPRGKRZSA-N 320.397 -0.076 30 20 DBED C#CCN1CC2(CC[C@@H](CNC(=O)[C@@H]3CCCNC3=O)O2)C1 1053614658 ZYVVDTCSMPHNEW-QWHCGFSZSA-N 305.378 -0.505 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)[C@H]3CC(=O)N(CCC)C3)CO2)C1 1053940815 LSYGITKYAMLBEL-UONOGXRCSA-N 319.405 -0.162 30 20 DBED COCC(=O)N[C@]1(CO)CCCN(C(=O)c2cc(C#N)c[nH]2)C1 1055705332 JUQYRKWWLIDFDS-OAHLLOKOSA-N 320.349 -0.384 30 20 DBED N#Cc1nccnc1N1CCN(C(=O)C[C@@H]2COC(=O)C2)CC1 1055769713 UMBNYQKDWZDORV-NSHDSACASA-N 315.333 -0.050 30 20 DBED CCc1nc(C#N)cc(N2C[C@H]3C(NC(=O)c4nc[nH]n4)[C@@H]3C2)n1 1056272511 POWVAUYPYZAYEM-NXEZZACHSA-N 324.348 -0.107 30 20 DBED Cc1nc(N[C@@H]2CCN(C(=O)Cn3ncnn3)C2)ccc1C#N 1056706919 OQBSKXYYZIPVGH-GFCCVEGCSA-N 312.337 -0.039 30 20 DBED C=C[C@](C)(O)CC(=O)NCCN(CCO)C(=O)CSC 1056899791 KEBGOAQUVVAHJY-ZDUSSCGKSA-N 304.412 -0.386 30 20 DBED N#Cc1ccc(N[C@H]2CCCN(C(=O)Cn3ncnn3)C2)nn1 1057697835 KEDJPNKBXHDBKZ-NSHDSACASA-N 313.325 -0.562 30 20 DBED C=CCO[C@H](C)C(=O)N(CCO)CCNC(=O)c1cccnn1 1057921939 TZFYGWALCHLHBI-GFCCVEGCSA-N 322.365 -0.382 30 20 DBED N#Cc1cnc(N2CCC[C@@H](NC(=O)[C@H]3CCC(=O)N3)C2)cn1 1058127533 VOVFCXSPUOJPBX-ZYHUDNBSSA-N 314.349 -0.288 30 20 DBED C#CCCCCCC(=O)N(CCO)CCNC(=O)CC(N)=O 1058307729 VCPHFCLMVQSFNZ-UHFFFAOYSA-N 311.382 -0.617 30 20 DBED C[C@H](C(=O)N[C@H]1CCN(c2cnc(C#N)cn2)C1)n1cncn1 1058324765 SRVJLTNLKXGMDR-MNOVXSKESA-N 312.337 -0.104 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)Cc1cnoc1 1058481844 CJOAKYSLYQWBNF-UHFFFAOYSA-N 307.350 -0.042 30 20 DBED N#Cc1nccc(N2CC[C@H](NC(=O)c3c[nH]c(=O)cn3)C2)n1 1058533043 SABZDSOEQRRNTM-VIFPVBQESA-N 311.305 -0.560 30 20 DBED N#Cc1nccnc1N[C@H]1C[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 1059392253 VSSKHQCVUWGINM-NQMVMOMDSA-N 301.310 -0.911 30 20 DBED N#Cc1ccc(N[C@H]2C[C@@H](NC(=O)[C@@H]3CCCNC3=O)C2)nn1 1059740865 YSPSPHXHVDWVOO-GRYCIOLGSA-N 314.349 -0.066 30 20 DBED O=C(C#CC1CC1)NCC[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 1060259253 WFUIAWFJJDHMIX-OLZOCXBDSA-N 318.377 -0.564 30 20 DBED N#CCSCC(=O)N1CCOC[C@H]1CNC(=O)C(F)F 1061149546 MMWMGFCRRGZRTF-MRVPVSSYSA-N 307.322 -0.148 30 20 DBED N#Cc1nccc(N2CC[C@H](CNC(=O)[C@H]3CCC(=O)N3)C2)n1 1061540021 VNNITINFHCKOAO-GHMZBOCLSA-N 314.349 -0.431 30 20 DBED N#Cc1cncc(NC[C@H]2CCCN2C(=O)[C@@H]2CNC(=O)N2)n1 1063552735 XYZGVRNQPIIUHQ-MNOVXSKESA-N 315.337 -0.567 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)C[C@@H]2CCC(=O)N2)CCC1 1063606451 JIXNBGLVTBVWPK-QWRGUYRKSA-N 306.366 -0.030 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)[C@@H]2COCCO2)CCO1 1064881309 ROHNNKNZPYSXIK-KBPBESRZSA-N 324.377 -0.595 30 20 DBED CCNC(=O)CC(=O)N1CCO[C@H](CNC(=O)[C@H](C)C#N)C1 1065066874 FATUHATXWBLPPO-GHMZBOCLSA-N 310.354 -0.984 30 20 DBED C=CCO[C@@H](C)C(=O)NC[C@H]1CN(C(=O)c2nc[nH]n2)CCO1 1065449737 OHADSIAAVGDCOV-QWRGUYRKSA-N 323.353 -0.647 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)Cc2cnoc2)CCO1 1065497307 VBXSBZHVDDWMCW-CYBMUJFWSA-N 323.349 -0.237 30 20 DBED C=CCCC(=O)N1CC2(CC[C@H](CNC(=O)CC(=O)NC)O2)C1 1068564177 OJSSZJQFFHLSHW-GFCCVEGCSA-N 323.393 -0.035 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(C[C@@H](NC(=O)CCCN(C)C)CO2)C1 1068988679 HFPSKIDTFDIGSN-QWHCGFSZSA-N 322.409 -0.026 30 20 DBED N#Cc1nc(=NC[C@H]2CC[C@H](NC(=O)c3cnn[nH]3)C2)cc[nH]1 1069518644 VSBVKVVKSOKZPA-UWVGGRQHSA-N 312.337 -0.101 30 20 DBED C#CCCN1CCNC(=O)CCN(C(=O)[C@@H]2CCCO2)CC1 1070936853 WTLIQYLOLNLESE-AWEZNQCLSA-N 307.394 -0.161 30 20 DBED C[C@H]1CN(C(=O)Cn2nccn2)C[C@@]2(CCN(CC#N)C2)O1 1071173552 KAMXEMKWUPKTST-JSGCOSHPSA-N 304.354 -0.507 30 20 DBED C#CCN1CC[C@]2(C1)CN(C(=O)C(C)(C)C(N)=O)C[C@@H](C)O2 1071178073 KIWZXPVVJOFSRM-WBMJQRKESA-N 307.394 -0.177 30 20 DBED CC(C)C#CC(=O)N[C@H]1CN(C(=O)Cn2cnnc2O)C[C@H]1C 1071943599 PEPQVKLJIMCHMT-NEPJUHHUSA-N 319.365 -0.394 30 20 DBED C#CCCCCC(=O)N[C@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1C 1072165132 KPIKKGSGFASBMW-STQMWFEESA-N 318.381 -0.170 30 20 DBED Cn1ncc(C(=O)N2CC[C@H]3OCCN(CC#N)[C@H]3C2)c1N 1074222824 NSLWBHNDGLMBBV-NWDGAFQWSA-N 304.354 -0.559 30 20 DBED CC[C@@H](C(=O)NCC1(O)CCN(C(=O)[C@@H](C)C#N)CC1)N(C)C 1074705628 VZOMTEKNNYJNLU-STQMWFEESA-N 324.425 -0.044 30 20 DBED C[C@@H]1C[C@@H](NC(=O)CNC(N)=O)CCN1C(=O)C#CC1CC1 1074818604 IXQDLBHBLFPYCP-PWSUYJOCSA-N 306.366 -0.436 30 20 DBED Cn1nnnc1CN1C[C@@H]2CCN(C(=O)C#CC3CC3)[C@@H]2C1 1075774587 HJDUYJFLBDKOEG-QWHCGFSZSA-N 300.366 -0.344 30 20 DBED C=CCCn1cc(C(=O)N2CC[C@H]3CN(CC(N)=O)C[C@H]32)nn1 1076344881 DHYMTXKYSVMJPZ-WCQYABFASA-N 318.381 -0.514 30 20 DBED C[C@@H](CCNC(=O)C#CC1CC1)NC(=O)[C@@H]1CCCN1C(N)=O 1076432483 SGKYMXWDXMQIRZ-AAEUAGOBSA-N 320.393 -0.046 30 20 DBED C=CCN1C[C@@H]2CCN(C(=O)[C@H]3CN(C(C)=O)CCO3)[C@@H]2C1 1076517473 MXQICLRZGPXIQZ-RRFJBIMHSA-N 307.394 -0.048 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)c2cn(CCOC)nn2)C1 1076984932 KYFIVFRJRWBEGM-DGCLKSJQSA-N 309.370 -0.725 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCC(=O)N2C)C1 1077499492 JHROPVJECPNJSF-QJPTWQEYSA-N 315.801 -0.089 30 20 DBED C[C@@H](CCNC(=O)[C@H](C)C#N)NC(=O)c1nc2ncccn2n1 1078132119 KFBJHKYHLJMKOJ-ZJUUUORDSA-N 315.337 -0.091 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2cnn(-c3ccccc3)n2)C1 1078156581 DCWBCQQKTAFDQA-ZIAGYGMSSA-N 312.333 -0.434 30 20 DBED Cn1cnc(C(=O)N2C[C@H]3CC[C@H]2[C@H](NCC#N)C3)cc1=O 1078970923 IPSFHTFFSMGWHL-LOWVWBTDSA-N 301.350 -0.113 30 20 DBED C=C[C@@](C)(O)CC(=O)N(CC)C1CN(C(=O)CNC(C)=O)C1 1079684613 MNLYVDOQYQGWHV-OAHLLOKOSA-N 311.382 -0.491 30 20 DBED C#CCOCCC(=O)N(CC)C1CN(C(=O)[C@H](C)NC(N)=O)C1 1079772186 KLFKZADOPFXYRD-NSHDSACASA-N 324.381 -0.858 30 20 DBED CCN(C(=O)C[C@@H]1CCNC1=O)C1CN(C(=O)C#CC2CC2)C1 1079896626 CUUAZDDSBSIZBN-ZDUSSCGKSA-N 317.389 -0.015 30 20 DBED CCN(CC1CCN(C(=O)C(N)=O)CC1)C(=O)C#CC1CC1 1081116257 DEVNKVYURRUTLJ-UHFFFAOYSA-N 305.378 -0.028 30 20 DBED C#CCCN1C[C@@H](NC(=O)Cn2cccc(C)c2=O)[C@H](OC)C1 1081659918 MQQICXUXMJCMHG-HUUCEWRRSA-N 317.389 -0.005 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2ncccn2)C1 1081686932 BXKHVFBUQWPJDX-VXGBXAGGSA-N 320.349 -0.772 30 20 DBED C=C(C)CCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2(C(N)=O)CC2)C1 1081717119 UHTCFYSVCHTOFR-NWDGAFQWSA-N 323.393 -0.456 30 20 DBED C=CCN1C[C@@H](NC(=O)[C@H]2CCc3nnc(O)n3C2)[C@H](OC)C1 1081870848 OPTARGSOMFAVQC-QJPTWQEYSA-N 321.381 -0.453 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1ccc2nnnn2c1 1083141906 ILBNKTGCYKCXNZ-QWHCGFSZSA-N 312.333 -0.717 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CC[C@@H](C(N)=O)C1 1083194447 OUAJBZDLSPQKKC-CBBWQLFWSA-N 319.405 -0.177 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCc3nc(C)[nH]c3C2)C1 1083583786 RNDLJTQIYLSILA-DFBGVHRSSA-N 302.378 -0.382 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCc3nncn3CC2)C1 1083652989 PTECJKCBIXYCRY-MCIONIFRSA-N 319.409 -0.032 30 20 DBED Cc1cccc2c1O[C@H](C(=O)N[C@@H]1CN(CC#N)C[C@@H]1O)C2 1084133640 MMTWPWUDQQQTKI-RDBSUJKOSA-N 301.346 -0.017 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@H](N[C@@H]2CCNC2=O)C1 1086482394 DALNFWZETNAEAM-KSTCHIGDSA-N 307.394 -0.050 30 20 DBED CN(C)CCn1ccc(C(=O)N[C@@H]2CCN(CC#N)C[C@@H]2O)n1 1090272305 NVSJXBWENJXGMO-OCCSQVGLSA-N 320.397 -0.867 30 20 DBED C=CCN1CC[C@H](NC(=O)c2cc(C(N)=O)cn2C)[C@H](O)C1 1090399130 LMTXWVDARYJZHQ-WCQYABFASA-N 306.366 -0.525 30 20 DBED C=CCN1CC[C@H](NC(=O)c2ccc(N(C)C)nn2)[C@@H](O)C1 1090735131 UXUAPUJVLDNFJG-AAEUAGOBSA-N 305.382 -0.106 30 20 DBED CCCN(C)CC(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@@H]1O 1091129678 AXEYQDBZIUNGCJ-KGLIPLIRSA-N 317.393 -0.039 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1091149835 FUDJOTCCBVPANF-OLZOCXBDSA-N 315.333 -0.946 30 20 DBED C#CCN1CC(OC2CCN(C(=O)C3(C(N)=O)CC3)CC2)C1 1093567199 DDDUGMUEJBKNSP-UHFFFAOYSA-N 305.378 -0.423 30 20 DBED Cc1cc(=NCCNC(=O)[C@]2(C)CCC(=O)N2)c(C#N)c[nH]1 1094103935 QKAMEJRWBPRADY-HNNXBMFYSA-N 301.350 -0.120 30 20 DBED N#Cc1c[nH]ccc1=NCCNC(=O)[C@@H]1CN2CCC[C@@H]2CO1 1094203005 JJLLFNWERGLGQX-HIFRSBDPSA-N 315.377 -0.234 30 20 DBED CCn1cc(C(=O)NCc2cn(C3CN(CC#N)C3)nn2)nn1 1094330320 ZFNZJYQWTKUKEV-UHFFFAOYSA-N 315.341 -0.800 30 20 DBED C=CCN1CC(n2cc(CNC(=O)[C@@H]3CCN(C)C3)nn2)C1 1094338199 BOLUILWWZWUEIL-GFCCVEGCSA-N 304.398 -0.111 30 20 DBED C[C@H](CC(=O)NCCCNc1ccc(C#N)nn1)NC(N)=O 1094593652 HEZHWMZJJKNSOG-SECBINFHSA-N 305.342 -0.287 30 20 DBED C#CCN1CCN(C(=O)c2c[nH]cc2C)[C@@H]2CS(=O)(=O)C[C@@H]21 1094679665 ZQWVQXNALILFAM-UONOGXRCSA-N 321.402 -0.120 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)[C@H]3CCN(C)C3)CC2=O)C1 1094814763 HZWVPSURKIDRSP-STQMWFEESA-N 306.410 -0.475 30 20 DBED CS(=O)(=O)CCC(=O)NCCCN=c1cc[nH]c(C#N)n1 1094876837 DCCNUFCSVONULZ-UHFFFAOYSA-N 311.367 -0.877 30 20 DBED CCC(=O)NCC(=O)N1CC[C@H](N(C)c2ccc(C#N)nn2)C1 1095099078 FUTGEFMSYSFZBJ-LBPRGKRZSA-N 316.365 -0.088 30 20 DBED CCNC(=O)CC(=O)N[C@H]1C[C@H](Nc2ccc(C#N)nn2)C1 1097023394 QYOVFALWGKXNAA-XYPYZODXSA-N 302.338 -0.066 30 20 DBED C[C@@H](CC(=O)N[C@H]1C[C@H](Nc2cncc(C#N)n2)C1)NC(N)=O 1097071762 PQLIPEIHRXQJFA-GUBZILKMSA-N 317.353 -0.146 30 20 DBED CN(C)C(=O)CC(=O)N[C@H]1C[C@H](Nc2cnc(C#N)cn2)C1 1097106474 RXYCNSNBXBCQNF-MGCOHNPYSA-N 302.338 -0.114 30 20 DBED C[C@H](NC(=O)C(N)=O)[C@@H]1CCCN(c2ccnc(C#N)n2)C1 1097548239 SCZDSGQCNXUXOH-VHSXEESVSA-N 302.338 -0.445 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CCC[C@@H](N=c2cc[nH]c(C#N)n2)C1 1098586017 YZDXGNJTYINBAF-VXGBXAGGSA-N 316.365 -0.254 30 20 DBED C[C@H]1CN(C(=O)Cn2ncnn2)CC2(CCN(CC#N)CC2)O1 1098600089 TYYNPZGOXFMRME-LBPRGKRZSA-N 319.369 -0.721 30 20 DBED C[C@@H](CCNC(=O)c1nccnc1N)N=c1cc[nH]c(C#N)n1 1098915411 GZNDRLRBTQLNEQ-VIFPVBQESA-N 312.337 -0.237 30 20 DBED C=C(Cl)CN1CC[C@H](NC(=O)CNC(=O)CC)[C@@H](O)C1 1099738448 NMRJUZFAGPSHFU-QWRGUYRKSA-N 303.790 -0.184 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(Cc2cnnn2C)C[C@H]1O 1099740368 BYQLFTZVQPKFHD-QWHCGFSZSA-N 309.370 -0.931 30 20 DBED CCC(=O)N[C@H](C)C(=O)NCC[C@H](C)N=c1cc[nH]c(C#N)n1 1099745309 NEYJIMWABMXWBW-WDEREUQCSA-N 318.381 -0.008 30 20 DBED C#CCC1(C(=O)N[C@H]2CCN(CC(=O)NCC)C[C@H]2O)CCC1 1099874826 RHJGAWLLCTXEND-UONOGXRCSA-N 321.421 -0.133 30 20 DBED C=CCCCN1CC[C@@H](NC(=O)CCS(C)(=O)=O)[C@H](O)C1 1099894464 LHEXTJPMOFFMIQ-CHWSQXEVSA-N 318.439 -0.061 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)c2n[nH]cc2F)[C@@H](O)C1 1099992320 XOFJXARRUMSJTC-NEPJUHHUSA-N 312.345 -0.084 30 20 DBED CN1CC[C@@H](C(=O)NCCN(C)c2ccc(C#N)cn2)C1=O 1100273061 DIDMBWTWPJATFW-LBPRGKRZSA-N 301.350 -0.016 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CC(CNC(=O)c2ncc[nH]2)C1 1100308142 SXUFHPJGWAJFLF-VOMCLLRMSA-N 303.366 -0.354 30 20 DBED N#CCNC(=O)CNC1CC(CNC(=O)CCc2ccon2)C1 1100504846 UUVFRZFFAGKDIT-UHFFFAOYSA-N 319.365 -0.269 30 20 DBED Cc1c(C(=O)N(C)CCNc2nccnc2C#N)nnn1C 1101534899 FICHOGYZWPKLMN-UHFFFAOYSA-N 300.326 -0.031 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1CNC(=O)C[C@@H]1CCCO1 1101759400 PDOOLGXHDKYKKT-MCIONIFRSA-N 322.409 -0.121 30 20 DBED N#Cc1cccnc1N1C[C@@H]2C[C@H]1CN2C(=O)CCNC(N)=O 1102551600 SUQWVWTUYRDVBM-RYUDHWBXSA-N 314.349 -0.199 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1CCNC(=O)[C@@H]1CCS(=O)(=O)N1 1103730060 AAAXPVIQZAMDKK-UTUOFQBUSA-N 314.411 -0.724 30 20 DBED CNC(=O)CC(=O)N1CCC[C@@H]1CNc1cnc(C#N)cn1 1103804288 FGYVZVIHQWUXAJ-LLVKDONJSA-N 302.338 -0.113 30 20 DBED CN(CCN(C)c1ccnc(C#N)n1)C(=O)C[C@H]1CCC(=O)N1 1105430392 JLAWGVBKZCDBKM-LLVKDONJSA-N 316.365 -0.088 30 20 DBED N#Cc1cncc(NC[C@H]2CCC[C@H]2NC(=O)CNC(N)=O)n1 1105635507 MVRZZGUQAABJNQ-MWLCHTKSSA-N 317.353 -0.287 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)C2CCOCC2)nn1 1105701347 WLXLCOUSWCNHNF-GFCCVEGCSA-N 305.338 -0.336 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@@H]1CN(C(=O)c2ncc[nH]2)C[C@H]1C 1106091955 MZZLUKSYUHJYDI-JHJVBQTASA-N 317.393 -0.155 30 20 DBED N#Cc1nccnc1NC[C@H](O)CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 1106110682 WSWDTXVUSLNELS-WGBDABJCSA-N 317.349 -0.195 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)[C@@]23COC[C@@H]2C3)nn1 1106145090 HFQDLRNPYJHOSP-CHIMOYNISA-N 303.322 -0.726 30 20 DBED C#CCN1CC(n2cc(CNC(=O)CN3CCC[C@H]3C)nn2)C1 1107209745 YKXPBSJZXQDTDK-CYBMUJFWSA-N 316.409 -0.132 30 20 DBED C=CCOCC(=O)NC[C@@]1(C)CN(Cc2cnnn2C)CCO1 1107811667 PCEJQFZTXPIVFN-HNNXBMFYSA-N 323.397 -0.275 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)C[C@@H]1CCC(=O)N1C 1108037140 MYJQMJNRIYRHGD-MNOVXSKESA-N 316.365 -0.302 30 20 DBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C#CC1CC1 1109251610 BUINYWUYIRDBGL-RDBSUJKOSA-N 300.362 -0.239 30 20 DBED CN(CCCNc1cncc(C#N)n1)C(=O)CCn1cnnn1 1109498648 HRYQOTXUXUVZDM-UHFFFAOYSA-N 315.341 -0.315 30 20 DBED C#CCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2[C@@H]1CCN(C)C1=O 1110551005 KXCQKSYXZLGSGJ-APIJFGDWSA-N 319.405 -0.022 30 20 DBED C[C@@]1(NC(=O)Cn2cnnn2)CCN(c2ccnc(C#N)n2)C1 1110710912 OVFALFPJCCBHFY-CYBMUJFWSA-N 313.325 -0.880 30 20 DBED C#CCOCCC(=O)N[C@]1(CO)CCCN(c2ncccn2)C1 1111361554 SRZRQMDWYSGJFT-MRXNPFEDSA-N 318.377 -0.036 30 20 DBED CO[C@H](C)C(=O)N(CCO)CCNc1nc(C)cc(C#N)n1 1111435107 XPTYZMOHAIERHZ-LLVKDONJSA-N 307.354 -0.076 30 20 DBED CN(CCCN(C)c1cnc(C#N)cn1)C(=O)C1(C(N)=O)CC1 1112175569 KPRIPXDLAUYUJJ-UHFFFAOYSA-N 316.365 -0.102 30 20 DBED C[C@H](NC(=O)Cn1ncnn1)[C@H](C)Nc1ccc(C#N)nc1 1113193126 FLBJDWAUSHEDIY-UWVGGRQHSA-N 300.326 -0.055 30 20 DBED CC#CCN1CCN(C(=O)CS(=O)(=O)N(CC)CC)CC1 1113396941 YCNCXOIAXVOYRQ-UHFFFAOYSA-N 315.439 -0.175 30 20 DBED Cc1nc(N(C)[C@H](C)CNC(=O)Cn2cnnn2)ccc1C#N 1113486689 DZLCJPHSZRCVRQ-SNVBAGLBSA-N 314.353 -0.111 30 20 DBED C[C@H](CNC(=O)C[C@H]1CCC(=O)N1)N(C)c1nccnc1C#N 1113652458 XONXCECCGULMIA-GHMZBOCLSA-N 316.365 -0.042 30 20 DBED C[C@@H](CNC(=O)CCn1cnnn1)N(C)c1cncc(C#N)n1 1113685905 LTLGZPYNMZIZHU-JTQLQIEISA-N 315.341 -0.634 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)CSC(C)C)[C@@H]2C1 1113891707 WMFKISDSOAGLLD-VXGBXAGGSA-N 309.435 -0.076 30 20 DBED C=CCOCCN1C[C@@H]2C(NC(=O)CCc3nc[nH]n3)[C@H]2C1 1114120024 IFWPNJDSHURMTK-RYUDHWBXSA-N 305.382 -0.014 30 20 DBED CC(C)(C)C#CC(=O)N[C@H]1[C@@H]2CN(CC(=O)NC(N)=O)C[C@@H]21 1114256102 UANPTRHJRFVJBN-IWIIMEHWSA-N 306.366 -0.723 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)[C@@H]3CCO[C@H]3CC)[C@@H]2C1 1114596733 CHMQKSOVPYACFU-SYQHCUMBSA-N 319.405 -0.403 30 20 DBED C=CCOCCN1C[C@@H]2C(NC(=O)[C@H]3C[C@H]3C(=O)N(C)C)[C@H]2C1 1114835848 RSYNZLMLUANCOD-CRWXNKLISA-N 321.421 -0.040 30 20 DBED C[C@H](CCCNc1cncc(C#N)n1)NC(=O)CNC(N)=O 1114836433 FEJFCFMBKXCKRP-SECBINFHSA-N 305.342 -0.287 30 20 DBED C=C(C)CN1C[C@H]2C(NC(=O)CN(C)S(=O)(=O)CC)[C@@H]2C1 1115049368 KKMLOOUEJZQKHA-VXGBXAGGSA-N 315.439 -0.110 30 20 DBED N#Cc1nc(=NCCCOCCNC(=O)c2cnon2)cc[nH]1 1115418768 XWZSYVWGVTZLIQ-UHFFFAOYSA-N 317.309 -0.598 30 20 DBED C#CCNC1(CNC(=O)CNC(=O)CNC(C)=O)CCCCC1 1115598269 LRNQVIDZHOCROH-UHFFFAOYSA-N 322.409 -0.719 30 20 DBED C[C@@H]1CC(=O)NCCN1C(=O)C(=O)Nc1ccn(CCC#N)n1 1116698520 ZGVFTPDAWFRIQL-SNVBAGLBSA-N 318.337 -0.528 30 20 DBED C#CCNC(=O)C1CCN(C(=O)C(=O)N2C[C@H]3C=C[C@H]2C3)CC1 1120384174 AZHUSFQXLNTXEQ-JSGCOSHPSA-N 315.373 -0.239 30 20 DBED C[C@H](CN(C)C(=O)[C@H]1CCC(=O)N1C)N=c1cc[nH]c(C#N)n1 1120501051 AICIXGYTJYYCLS-GHMZBOCLSA-N 316.365 -0.350 30 20 DBED Cc1cc(=N[C@H](CO)CNC(=O)C2CCOCC2)c(C#N)c[nH]1 1120987280 WDCCZQWCAMBEOJ-AWEZNQCLSA-N 318.377 -0.001 30 20 DBED Cc1ncncc1C(=O)NC[C@H](CO)N=c1cc[nH]cc1C#N 1121086302 QLUOUZCBTOESGU-GFCCVEGCSA-N 312.333 -0.324 30 20 DBED CCn1nccc1C(=O)NC[C@@H](CO)Nc1ccc(C#N)nn1 1121377431 OGGIDZUBZFBISR-NSHDSACASA-N 315.337 -0.233 30 20 DBED Cn1ncc(C(=O)NC[C@@H](CO)Nc2ncccc2C#N)n1 1121768864 BWKPMRVQKOPOTE-JTQLQIEISA-N 301.310 -0.715 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H](CO)Nc1nccc(OC)n1 1122034771 DNZOYVMWKYBEGJ-GHMZBOCLSA-N 308.338 -0.588 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)c2csc(O)n2)nn1 1122431766 YZDAAVZWSYFUTN-MRVPVSSYSA-N 320.334 -0.287 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]cc1C#N)C(=O)[C@@H]1COCCO1 1124047311 TXGBTFCVIQEMJC-OCCSQVGLSA-N 320.349 -0.978 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)C[C@H](C)OC 1124606620 IHBVWOBZELBKRA-QWRGUYRKSA-N 314.386 -0.483 30 20 DBED CN(C[C@H](O)CNc1nccnc1C#N)C(=O)c1cnn[nH]1 1124896031 LHNVQKWTTCIPSQ-MRVPVSSYSA-N 302.298 -0.989 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)c1ocnc1C 1125329913 HJGINHLMTHVULW-JTQLQIEISA-N 323.353 -0.297 30 20 DBED C#CCO[C@H](C)C(=O)NCCNCCN1C(=O)NC(C)(C)C1=O 1127056618 FQOKYHJOHDLZRW-LLVKDONJSA-N 324.381 -0.939 30 20 DBED C=CCOCCNCCNC(=O)[C@H]1CC(=O)N(CCOC)C1 1128656408 BRBQLFUQJNSCAB-ZDUSSCGKSA-N 313.398 -0.610 30 20 DBED C=C[C@](C)(CCOC)C(=O)NCCN[C@H](C)C(=O)NC(N)=O 1131869831 KCFBWNNSUPVUMR-QMTHXVAHSA-N 314.386 -0.496 30 20 DBED C[C@@H]1CC[C@H](NC(=O)C2=CCOCC2)CN1CC(=O)NCC#N 1131981432 WHKOLOZXBPIWRC-OCCSQVGLSA-N 320.393 -0.058 30 20 DBED N#CCOc1ccc(CNCCNC(=O)[C@@H]2CCNC2=O)cc1 1132355982 NFQYIGALIZVAKV-CQSZACIVSA-N 316.361 -0.069 30 20 DBED C=CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)CC(=O)NCC 1134142780 GSZKJQUIGBOCLC-RYUDHWBXSA-N 312.414 -0.312 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)C1CN(C(C)=O)C1 1134240239 OEHHUEWPBPWATR-VXGBXAGGSA-N 322.409 -0.913 30 20 DBED Cc1c[nH]nc1C(=O)N[C@H](C)C[C@H](C)NCC(=O)NCC#N 1134307520 MMSDGEDSUMDHMH-WDEREUQCSA-N 306.370 -0.156 30 20 DBED C#CCNC(=O)CNCCNC(=O)CCCc1cccnc1 1135936456 HGAJGKWQBVFZRG-UHFFFAOYSA-N 302.378 -0.141 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1cn(CC2CC2)nn1 1135973373 YZCYMPVAQGTCOT-LLVKDONJSA-N 318.381 -0.855 30 20 DBED C=CCNC(=O)CN1CCC2(C1)CN(C(=O)[C@H](C)NC(C)=O)C2 1146986975 YOGGRHCPIXKOAT-LBPRGKRZSA-N 322.409 -0.653 30 20 DBED CNC(=O)[C@H](C)N1CCC2(CN(C(=O)CSCC#N)C2)C1 1147031412 RWFFIPQXIFOLNU-NSHDSACASA-N 310.423 -0.088 30 20 DBED C#CCCCC(=O)N1CC2(CCN(CC(=O)NC(N)=O)C2)C1 1147428526 VGGJICAYPAWAQS-UHFFFAOYSA-N 306.366 -0.481 30 20 DBED CNC(=O)NCC(=O)N1CC2(CCN(CC#CCOC)C2)C1 1147669612 HQMSRQNSFVLEEX-UHFFFAOYSA-N 308.382 -0.901 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)[C@H]2CCCC(=O)N2C)C1=O 1149463688 GBMXJIMJHIMXKB-CHWSQXEVSA-N 322.409 -0.510 30 20 DBED CC1(C(=O)NC[C@@H]2CN(CC(=O)NCC#N)CCCO2)CC1 1149746953 YXRDCJJHVGVRID-GFCCVEGCSA-N 308.382 -0.367 30 20 DBED COCC(=O)N[C@H](C)C(=O)N1CCCC[C@@H]1CN(C)CC#N 1157999670 QEIGNIDGCTZMTP-CHWSQXEVSA-N 310.398 -0.026 30 20 DBED Cc1ccn(C[C@H](C)C(=O)NCCCNCC(=O)NCC#N)n1 1158843956 FSNVPZVSGJGHRT-LBPRGKRZSA-N 320.397 -0.437 30 20 DBED CCC(=O)NCC(=O)NCC1(COC)CCN(CC#N)CC1 1162171658 SXBNGICWYURLQV-UHFFFAOYSA-N 310.398 -0.119 30 20 DBED COCC#CCNCCCNC(=O)[C@H]1CCc2nncn2CC1 1162814629 GBHPKIDLPLMBTQ-AWEZNQCLSA-N 319.409 -0.024 30 20 DBED CCO[C@H]1C[C@H]1C(=O)NCCC1(CNCC(=O)NCC#N)CC1 1163594874 VJSKTCKMBJODHR-OLZOCXBDSA-N 322.409 -0.073 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NCCCNCC(=O)N(C)C 1167677628 DLYGBCRZZOAIOO-ZDUSSCGKSA-N 312.414 -0.359 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)CCCn1cccn1 1176406142 VMGSWAQZPNRKHT-AWEZNQCLSA-N 319.409 -0.103 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)C[C@H]2CCCO2)[C@H]1C 1178174457 HHLYPEPDUARGEY-MJBXVCDLSA-N 307.394 -0.116 30 20 DBED C#CCOCCC(=O)N1CC[C@H](N[C@@H](C)c2nnnn2C)[C@@H]1C 1178682245 ZOYVNOXILWVPBA-AVGNSLFASA-N 320.397 -0.110 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)c2ccncn2)[C@H]1C 1179754756 FSSQQBZYFSSKFJ-RYUDHWBXSA-N 303.366 -0.029 30 20 DBED C#CCNC[C@]1(C)CN(C(=O)[C@H]2CCS(=O)(=O)N2)C[C@H]1C 1183432414 FLRLRMXLXJMJDA-YRGRVCCFSA-N 313.423 -0.615 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)C2(CN(C)C)CC2)C1 1185221593 JVRIZWUBMWSZAB-CYBMUJFWSA-N 308.426 -0.179 30 20 DBED COCC#CCN(C)[C@H]1CCN(C(=O)C2CN(C(C)=O)C2)C1 1189846613 FZMOZIHNBIEGBM-HNNXBMFYSA-N 307.394 -0.353 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)CCOCC2CC2)C1 1192943019 KWVURBPCQBIRAM-HUUCEWRRSA-N 310.394 -0.386 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)Cc2nonc2C)C1 1193171712 ZYDMUOIKJPBJQV-GFCCVEGCSA-N 321.381 -0.245 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC[C@H](N(C)CC(=O)NC(N)=O)C1 1194397715 YNTIYIPGBVODGI-QWRGUYRKSA-N 312.370 -0.695 30 20 DBED CNC(=O)NCCC(=O)N1CCCN(CC#CCOC)CC1 1195737303 ZQSITSWHESBLPI-UHFFFAOYSA-N 310.398 -0.510 30 20 DBED C=CCC1(C(=O)N[C@@H]2CN(C[C@@H](C)O)C[C@H]2O)CCOCC1 1198239181 GWSUFKNCSBPFFO-MGPQQGTHSA-N 312.410 -0.099 30 20 DBED N#CCNC(=O)CNC1CCN(C(=O)c2ccccn2)CC1 1199092527 LCUJGZMXSLMJKK-UHFFFAOYSA-N 301.350 -0.084 30 20 DBED C=CCNC(=O)CNC[C@@H]1CN(C(=O)[C@H](C)C#N)CCCO1 1200116048 SAPDTDSWGNNINI-CHWSQXEVSA-N 308.382 -0.345 30 20 DBED C#CCCNC[C@H]1CN(C(=O)c2nnn(C)c2C)CCCO1 1200172846 IGPOPFIFCOQYBB-ZDUSSCGKSA-N 305.382 -0.032 30 20 DBED C#CCNC(=O)CNC[C@H]1CN(C(=O)/C=C\C2CC2)CCCO1 1200189535 HCPODBBFCQZYAX-XHPSBEMXSA-N 319.405 -0.091 30 20 DBED C#CCO[C@H](C)C(=O)N1CCCO[C@@H](CNCc2cnon2)C1 1200478588 KEORNEYIKQHSFO-OCCSQVGLSA-N 322.365 -0.185 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)[C@]2(C)CNC(=O)C2)CCCO1 1201053235 YZTULGPLHQBNLA-CJNGLKHVSA-N 307.394 -0.257 30 20 DBED CC(=O)N1CCC[C@@H]1C(=O)N1CCCO[C@@H](CNCC#N)C1 1202173725 LGQNFUBFVWJEAF-UONOGXRCSA-N 308.382 -0.272 30 20 DBED C=CCNC(=O)[C@H](C)NC1CCN(C(=O)C2(C(N)=O)CC2)CC1 1202260995 NCUCNBXGBYNSBX-NSHDSACASA-N 322.409 -0.477 30 20 DBED C#CCN[C@H]1C[C@H](NC(=O)CS(=O)(=O)N(C)C)C12CCC2 1203671607 UFFPKNSRVVPAPJ-RYUDHWBXSA-N 313.423 -0.472 30 20 DBED C[C@@H](C(=O)NC(N)=O)N1C[C@@H](NC(=O)C#CC2CC2)[C@H](C)C1 1206953186 VRAYPLOLOYBGHG-JFGNBEQYSA-N 306.366 -0.580 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCCN(C(=O)CCN(C)C)C1 1209444112 DFKDJZVQASBSIW-KBPBESRZSA-N 308.426 -0.343 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)CCCCC(N)=O)C1 1210575896 LNALKCIPYKDFIB-CYBMUJFWSA-N 322.409 -0.638 30 20 DBED C#CCCN[C@@H]1CCCN(C(=O)CC[C@H]2NC(=O)NC2=O)C1 1210982997 BOKULDCELWUKEW-VXGBXAGGSA-N 306.366 -0.422 30 20 DBED C#CCN1CCC(C(=O)N2CCC[C@H](NCC(=O)NC)C2)CC1 1211234285 XQWUCOGIOHOGQU-HNNXBMFYSA-N 320.437 -0.342 30 20 DBED C#CCN1C[C@@H](NC(=O)CCCCCS(N)(=O)=O)[C@H](C)C1 1211509038 WAOQZFOZNTWHOS-CHWSQXEVSA-N 315.439 -0.095 30 20 DBED CCn1ncnc1CN1C[C@@H](NC(=O)[C@@H](C)C#N)[C@H](OC)C1 1212039049 DYXYIZPEPUFZGF-QJPTWQEYSA-N 306.370 -0.227 30 20 DBED C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1NCCS(C)(=O)=O 1214407199 QIGFLOUTTHTPPJ-ZWNOBZJWSA-N 324.406 -0.019 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1C 1214558096 QYXNUSZVLVYOES-IJLUTSLNSA-N 318.381 -0.997 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)Cc2cnoc2)C[C@H]1C 1215385033 JMYRNOQWMSSCTA-YRGRVCCFSA-N 318.377 -0.209 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H](C)C#N 1217528832 WEAQBPMAFFFYSS-FRRDWIJNSA-N 306.366 -0.640 30 20 DBED COCC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CN1CCCC1 1219032147 RZQGHZVOSUCUTO-JKSUJKDBSA-N 321.421 -0.356 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(CCOCCOC)C[C@@H]1O 1219536161 MBZGQQGBJGJGLE-IPYPFGDCSA-N 316.398 -0.862 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2[nH]ccc2C)C1 1219541168 FFZTWCMGTOUREG-NEPJUHHUSA-N 306.366 -0.600 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)CNC(=O)c2ccncc2)C1 1219669628 GCSLBVQBNWNTOP-OLZOCXBDSA-N 304.350 -0.841 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)C[C@@H](C)OC)[C@@H]2C1 1221425881 BIYQWLIDLIXYDH-MGPQQGTHSA-N 307.394 -0.307 30 20 DBED C=C[C@@](C)(O)CC(=O)N1C[C@H]2CCN(Cc3nnn(C)n3)C[C@H]21 1221518080 SNUQNJRIRILISW-LALPHHSUSA-N 320.397 -0.430 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)CCN(C)CC)CC1 1225087905 PNZZHBZUDZFPOM-UHFFFAOYSA-N 322.453 -0.094 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)[C@@H](C)n1cncn1 1233750845 IYALTUCOXCBCKX-CHWSQXEVSA-N 318.381 -0.879 30 20 DBED C#CCCN1CC[C@@H]1CN(C)C(=O)CNS(=O)(=O)CC 1234976660 VEIQNWJQQQCDBX-GFCCVEGCSA-N 301.412 -0.518 30 20 DBED COC(=O)[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)C[C@H](C)O1 1261540538 MMACCMVQRYGXPT-YFKTTZPYSA-N 323.349 -0.416 30 20 DBED NS(=O)(=O)CCCCCC(=O)N[C@@H]1CCCN(O)C1=O 1261549866 HTMWJVMNMWYISN-SECBINFHSA-N 307.372 -0.668 30 20 DBED C=C[C@H](COC)NC(=O)CNS(=O)(=O)c1cnn(C)c1 1321269998 ARUFEQZQDZJZOU-SECBINFHSA-N 302.356 -0.984 30 20 DBED N#C[C@]1(F)CCN(C(=O)C(=O)NCCOC[C@H]2CCOC2)C1 1322813313 YRGHSYWJSIDIIZ-SMDDNHRTSA-N 313.329 -0.380 30 20 DBED C=CC1CCN(C(=O)C(=O)N2CCN3CCOC[C@H]3C2)CC1 1325229591 PMQTUHIXVRCKKN-CQSZACIVSA-N 307.394 -0.046 30 20 DBED COC(=O)c1cn(C2CCN(CC(=O)NCCC#N)CC2)nn1 1325399764 DSHOUEOISUVSHA-UHFFFAOYSA-N 320.353 -0.269 30 20 DBED CS(=O)(=O)CCCCNC(=O)C(=O)N1CC[C@](F)(C#N)C1 1325986902 REDKUWIQGJHJFK-LBPRGKRZSA-N 319.358 -0.608 30 20 DBED CN(CCN1CCCC1)C(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1326249752 QKSHEJRAAWAGOK-HNNXBMFYSA-N 308.382 -0.582 30 20 DBED CCONC(=O)CNC(=O)C(=O)Nc1ccc(OCC#N)cc1 1328725922 FETCYYUFYOQSGM-UHFFFAOYSA-N 320.305 -0.289 30 20 DBED CC(=O)c1cc(NC(=O)C(=O)NCC(=O)NCC#N)ccc1C 1329898476 QANOEOGBKZNJBO-UHFFFAOYSA-N 316.317 -0.108 30 20 DBED CC#CCCNC(=O)C(=O)NCCNC(=O)c1cccnc1 1345018016 AIDHIEGYILQSND-UHFFFAOYSA-N 302.334 -0.543 30 20 DBED CCN(Cc1cnn(C)c1)C(=O)Cn1cc(C#N)c(O)nc1=O 1361903377 IEQHXZDWFYZVOB-UHFFFAOYSA-N 316.321 -0.397 30 20 DBED N#Cc1cccc(C(=O)N2CCS(=O)(=O)[C@@H]3COCC[C@H]32)n1 1363252111 VZGWSYADPCFFJO-CHWSQXEVSA-N 321.358 -0.019 30 20 DBED N#CC1(CNC(=O)N2CCC(OCC(N)=O)CC2)CCOCC1 1365448805 YKANEHZQUWLVCE-UHFFFAOYSA-N 324.381 -0.017 30 20 DBED CCN(CCNC(=O)[C@@H]1COCCO1)C(=O)c1c[nH]c(C#N)c1 1388194227 QWRHASCPGZQHIP-ZDUSSCGKSA-N 320.349 -0.120 30 20 DBED CCN(CCNC(=O)[C@@H](C)C#N)C(=O)c1cc(C(N)=O)c[nH]1 1398134658 KAGTUMXWMSMHEB-VIFPVBQESA-N 305.338 -0.148 30 20 DBED CCN(C(=O)C1(NC(N)=O)CC1)[C@H]1CCN(C(=O)[C@H](C)C#N)C1 1398887798 WFGFDKPPJCJLAA-MNOVXSKESA-N 321.381 -0.204 30 20 DBED C[C@H](CNC(=O)Cn1cncn1)N(C)C(=O)c1ccc(C#N)[nH]1 1411710646 BPIMTDUZXSZYJY-SNVBAGLBSA-N 315.337 -0.245 30 20 DBED C[C@H](C#N)C(=O)NCC1CN(C(=O)CCCS(C)(=O)=O)C1 1416124746 ULGPVVQGCYNZCI-SNVBAGLBSA-N 315.395 -0.455 30 20 DBED C=C(Cl)CN1CC(O)(CNC(=O)c2cccc(C(N)=O)n2)C1 1423925073 YYAPPTWJIGCOIK-UHFFFAOYSA-N 324.768 -0.291 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](C)CN(C)C(=O)C(C)(C)S(C)(=O)=O 1427724159 ZNYNLHULIVOMSI-VHSXEESVSA-N 317.411 -0.068 30 20 DBED C=C(Cl)CNC[C@@H](C)N(C)C(=O)Cn1cnc(C(N)=O)n1 1438644228 QHYNOSRVJKOTNZ-SECBINFHSA-N 314.777 -0.434 30 20 DBED CC[C@@H]1CN(CC)CCN1C(=O)Cn1cc(C#N)c(O)nc1=O 1449470659 KBSXRIKTLCPIBX-GFCCVEGCSA-N 319.365 -0.237 30 20 DBED CCC1(C(=O)NC[C@@H](O)CNC(=O)[C@H](C)C#N)CCOCC1 1452393721 WJPHCVXGEHEVOA-NEPJUHHUSA-N 311.382 -0.054 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)[C@@H]2CCCS2(=O)=O)CC1 1453411894 XQWHMAPPQAZFDY-UWVGGRQHSA-N 313.379 -0.512 30 20 DBED CN1CCO[C@@H](C(=O)NCCN(C)C(=O)c2ccc(C#N)[nH]2)C1 1455205743 JHEYAUODYOBSGE-CYBMUJFWSA-N 319.365 -0.595 30 20 DBED N#Cc1cc(C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)c[nH]1 1515113138 GDPPUWOIGGYERU-NSHDSACASA-N 320.330 -0.534 30 20 DBED COCCNC(=O)[C@H](C#N)C(=O)C1CCN(C(=O)N(C)C)CC1 1516660525 ZJGRIUOZWSUXSU-GFCCVEGCSA-N 324.381 -0.149 30 20 DBED C=CCOCc1nnc(N2CCN(CCOC)C(=O)C2)n1C 1519814856 ZURSELGLNJGXJE-UHFFFAOYSA-N 309.370 -0.187 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H](O)CNC(=O)c2ccsn2)c1 1533222342 NFKRCMQNGFUOKQ-SECBINFHSA-N 319.346 -0.136 30 20 DBED C#CC[C@H](NC(=O)c1ccc(=O)n(-c2cnn(C)c2)c1)C(=O)O 1573303870 UIEBOVBYEZSRIZ-LBPRGKRZSA-N 314.301 -0.223 30 20 DBED C=CCOC[C@@H](NC(=O)c1cnc(C(=O)O)cn1)C(=O)OC 1573337794 UOEURWBVYMAIFA-SNVBAGLBSA-N 309.278 -0.351 30 20 DBED C=CC(C)(C)C(=O)NC1(CCO)CN(C(=O)[C@H]2C[C@H]2C(=O)O)C1 1573347907 QAAHPZSJVYJVDH-WDEREUQCSA-N 324.377 -0.001 30 20 DBED C#CCN(CC(=O)O)c1nnnn1CCc1cc(C)n(C)n1 1588427030 KKPRRKHYCDUZKY-UHFFFAOYSA-N 303.326 -0.518 30 20 DBED C=C(C)COCCNC(=O)C1(C(=O)O)CCS(=O)(=O)CC1 1588440267 RYFBWIPNIQGQIN-UHFFFAOYSA-N 319.379 -0.025 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)c1cnc(C(=O)O)cn1 1588465293 AVOOQQYGEKDTGZ-UHFFFAOYSA-N 308.250 -0.657 30 20 DBED C=C(C)C[C@H](NS(=O)(=O)N(C)CCC(=O)OC)C(=O)O 1588555363 GUDIJICOZNZRBG-VIFPVBQESA-N 308.356 -0.265 30 20 DBED COC[C@@]1(C(=O)O)CN(C(=O)c2cccc(C#N)n2)CCO1 1593981510 YFRZPZMJDHTVKX-CQSZACIVSA-N 305.290 -0.105 30 20 DBED CN(CCC#N)S(=O)(=O)N[C@@H](CCC1OCCO1)C(=O)O 1598468845 LZLIUYMFNAFGBT-VIFPVBQESA-N 321.355 -0.727 30 20 DBED C=CCN1CC[C@@H](N2CCN([C@]3(C(=O)O)CCOC3)CC2)C1=O 1602898364 QCJUBKVYRFEAHN-CZUORRHYSA-N 323.393 -0.365 30 20 DBED COc1ccc(-c2nn[nH]n2)cc1NC(=O)NCC#CCO 1605251515 YLIIJYLEINMONV-UHFFFAOYSA-N 302.294 -0.008 30 20 DBED N#Cc1nc(NC(=O)CC2OCCCO2)[nH]c1-c1nn[nH]n1 1606354866 WALGACNCLRBQFH-UHFFFAOYSA-N 304.270 -0.447 30 20 DBED N#CCNC(=O)CN[C@@H](CNC(=O)c1ccncc1)C1CC1 1752445046 NOZSEEYYNHOGOQ-ZDUSSCGKSA-N 301.350 -0.181 30 20 DBED N#CCNC(=O)CN[C@H](CNC(=O)CC1(O)CCC1)C1CC1 1752462424 FTLJALNKMJULNM-GFCCVEGCSA-N 308.382 -0.584 30 20 DBED C=CCOCC(=O)N[C@H]1C[C@H](NC[C@@H]2CCS(=O)(=O)C2)C1 1752621768 ITIDXILMJLSSPL-AVGNSLFASA-N 316.423 -0.140 30 20 DBED CC#CCNC[C@@H]1CCCN(C(=O)CN(C)C(=O)COC)C1 1752798624 FBRQPWQKNIDTFN-AWEZNQCLSA-N 309.410 -0.057 30 20 DBED C=CCNC(=O)CN1CC[C@@H](CNC(=O)[C@@H](CC)NC(C)=O)C1 1753135164 KRMQJUGEYNFHPH-UONOGXRCSA-N 324.425 -0.359 30 20 DBED C#CCCNCC1(NC(=O)CCS(=O)(=O)NC)CCCC1 1753503905 XEAZIEXBJWPTOS-UHFFFAOYSA-N 315.439 -0.032 30 20 DBED C#CCNC(=O)CNC[C@H](C)CNC(=O)c1c(C)cnn1C 1753639887 OAJNKRVYGSAVDR-NSHDSACASA-N 305.382 -0.567 30 20 DBED CC(C)C#CC(=O)N[C@@H](C)CCNCC(=O)N1CCOCC1 1753963585 OIAKYBRQOCYANX-AWEZNQCLSA-N 309.410 -0.011 30 20 DBED C#CCNC(=O)CNCCN(CC)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 1754057427 SNZQCJGZLAWAKS-OFQRWUPVSA-N 321.421 -0.011 30 20 DBED C#CCNC(=O)CN(C)C[C@H](C)NC(=O)c1snnc1CC 1754316621 XACBKKQJFVOVQD-JTQLQIEISA-N 323.422 -0.100 30 20 DBED C=CCOCCN1[C@H]2CC[C@H]1CN(C(=O)[C@@H]1CNC(=O)N1)CC2 1754659090 CKVNLXBMKNMWSY-IHRRRGAJSA-N 322.409 -0.064 30 20 DBED C#CCNC(=O)CN1CC[C@@](O)(CNC(=O)CC2(C)CC2)C1 1754756726 UGZNMTGWPUQHFN-MRXNPFEDSA-N 307.394 -0.521 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)C2=CCOCC2)C[C@@H]1C 1754810134 DHTBVDHAPFFMCU-DZGCQCFKSA-N 319.405 -0.233 30 20 DBED C=CCNCCN(CCO)C(=O)[C@@H](NC(N)=O)C(C)(C)C 1754897015 ZZDSQMMYAOEWSO-LLVKDONJSA-N 300.403 -0.334 30 20 DBED C=CCCN1CCN([C@@H]2CCN(C(=O)[C@H](C)NC(N)=O)C2)CC1 1755016977 IRRJKLRWGPXVRO-UONOGXRCSA-N 323.441 -0.162 30 20 DBED CCCNC(=O)CNCC1(O)CCN(C(=O)C#CC2CC2)CC1 1755148712 GRUISAAXCVXVIO-UHFFFAOYSA-N 321.421 -0.131 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@H]1C[C@H](NC(=O)c2ccn(C)n2)C1 1755483846 YIZMDUJHRDMNLK-JHJVBQTASA-N 317.393 -0.344 30 20 DBED C=C(C)CNCCC[C@@H](C)NC(=O)CN1C(=O)C(=O)N(C)C1=O 1755518107 IFHNAVLVBROBLR-LLVKDONJSA-N 324.381 -0.142 30 20 DBED C=C1CCC(C(=O)NC[C@@H](CO)NCC(=O)NCC#N)CC1 1755638422 UOTQEBAEAIIUEH-ZDUSSCGKSA-N 308.382 -0.561 30 20 DBED C=CCOCC(=O)N1C[C@@H](NCCNS(C)(=O)=O)C[C@H]1C 1755672147 HCWTWPMOLNHMMD-NEPJUHHUSA-N 319.427 -0.683 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@@H](C)N(C(=O)c2ncccc2O)C1 1755673027 FNOJYAVBDNYOJU-NEPJUHHUSA-N 316.361 -0.271 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)[C@@H](C)NC(C)=O)CC1(C)C 1755751006 FTPJPCWXSTVEBY-TZMCWYRMSA-N 309.410 -0.013 30 20 DBED C#CCN(C)C[C@H](O)CN(C)C(=O)[C@@H]1CCCCN(C)C1=O 1755806397 DRYMUNJVVOEEMH-UONOGXRCSA-N 309.410 -0.371 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H](C)N(C)C(=O)C1(NC(N)=O)CC1 1756027772 VDUQUAJCVZDEDV-GHMZBOCLSA-N 324.381 -0.811 30 20 DBED Cc1cc(C(=O)N[C@@H](CO)CNC(=O)CSCC#N)on1 1756503384 GUTSLXMCLWUPRZ-SECBINFHSA-N 312.351 -0.553 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccnc(O)c2)C1 1756989795 JPEBBJLZWJGNAY-CHWSQXEVSA-N 317.345 -0.252 30 20 DBED CO[C@H](CS(=O)(=O)N[C@H](CCC#N)C(=O)O)[C@H]1CCOC1 1777151766 KTHSZAYVCCAQAR-HBNTYKKESA-N 320.367 -0.286 30 20 DBED C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C)[nH]n3)C2)C1 1780267966 RJIOULUEMDASMH-OAHLLOKOSA-N 302.334 -0.205 30 20 DBED N#CCCC(=O)N1CCO[C@@]2(CCN(C(=O)CCC(N)=O)C2)C1 1783149446 YKHOCKBDKFXBHM-OAHLLOKOSA-N 322.365 -0.614 30 20 DBED CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1786399929 JXCCNJWKRLYIAP-SRVKXCTJSA-N 308.334 -0.536 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nccs1 1794899854 NGMSTESLMWWVLS-PEGIJTEDSA-N 305.359 -0.021 30 20 DBED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](CC)NC)C2 1802022038 QMZYKTJALYRCOX-HLPPOEQASA-N 321.421 -0.013 30 20 DBED C#CC(=O)N1CC2(CCCN2C(=O)Cn2ccncc2=O)C1 1845768180 ARNBWDOJJBZZKI-UHFFFAOYSA-N 300.318 -0.920 30 20 DBED C[C@@H](S)C(=O)N1CCCC12CN(C(=O)c1c[nH]c(=O)cn1)C2 1846369715 YUBNXESNZPHBGD-SECBINFHSA-N 322.390 -0.095 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN(C)C 1847803140 ROOYHZVQCRJXBY-IHRRRGAJSA-N 307.394 -0.212 30 20 DBED CCCN(CC#N)C(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C 56485001 AAAKFNWXKLIUQM-UHFFFAOYSA-N 301.306 -0.002 30 20 DBED CN(CC(=O)N(CCC#N)CCC#N)CC(=O)N1CCOCC1 71081300 ZMKDAOSTOFSLKV-UHFFFAOYSA-N 321.381 -0.567 30 20 DBED CS(=O)(=O)NCCN1CCN(c2ccc(C#N)cn2)CC1 170958438 BNBSMJIZWBXFMB-UHFFFAOYSA-N 309.395 -0.376 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H](O)[C@H](C)CC)C1=O 268655481 XBUZZVRPNDVVER-NXEZZACHSA-N 311.338 -0.514 30 20 DBED C=CCNC(=O)c1ccc(N2CCO[C@H](C(=O)NC)C2)nc1 273049972 BLADNNQTTZYNTI-LBPRGKRZSA-N 304.350 -0.051 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccncc2C)C1=O 275124492 LXLAYPYNZNGKRM-UHFFFAOYSA-N 316.317 -0.017 30 20 DBED C#CCOc1cc(F)ccc1NC(=O)C(=O)NC[C@H](O)CO 275779592 WYWAPPFCBWRLQA-JTQLQIEISA-N 310.281 -0.754 30 20 DBED C=CCSCCNC(=O)C(=O)N1CCN(CCOC)CC1 285522911 AHAVNCNYCCPAPY-UHFFFAOYSA-N 315.439 -0.188 30 20 DBED C#CCNC(=O)CCN(CCC)[C@H](CC(=O)NCCC)C(N)=O 294706669 UXTNMKUGRUJYPS-CYBMUJFWSA-N 324.425 -0.392 30 20 DBED C[C@@H](CN1CCN(C)CC1)/N=C(/O)CN1CCN(C)C(=O)C1 329614627 PGPHLGWUPSWQEJ-ZDUSSCGKSA-N 311.430 -0.647 30 20 DBED C[C@H](CN1CCCC1=O)/N=C(/O)N1CCN2C(O)=NC[C@@H]2C1 329769557 HWYGLDUDDUSVAB-GHMZBOCLSA-N 309.370 -0.175 30 20 DBED Cn1nnnc1C/N=C(/O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O 330077004 HFMCAHACAWQXEU-DTORHVGOSA-N 306.326 -0.158 30 20 DBED C/N=C(/O)NCC(=O)Nc1cnn(CCN2CCOCC2)c1 330499741 KTLWHLWBBWTDDD-UHFFFAOYSA-N 310.358 -0.713 30 20 DBED CC/N=C(/O)NC(=O)[C@H](C)N1CCO[C@@H](Cn2cncn2)C1 330638243 BNDDKJYWZNPBPN-WDEREUQCSA-N 310.358 -0.583 30 20 DBED Cn1c(N)c(C(=O)CN[C@H]2CCC[C@H]2C#N)c(=O)n(C)c1=O 330804291 BPFSWDNZDJTWEU-IUCAKERBSA-N 305.338 -0.869 30 20 DBED C[C@@H](C(=O)N(C)CCC#N)N1CCC2(CC1)NC(=O)N(C)C2=O 331559368 GKDUZSUEQINEOI-NSHDSACASA-N 321.381 -0.237 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@@]1(O)CCN(C)C1 336929499 AMJVAHPMCOCQNR-NEPJUHHUSA-N 304.416 -0.631 30 20 DBED COC(=O)C[C@@H]1CN(S(=O)(=O)N(C)C[C@@H](C)C#N)CCO1 336937884 HBRNRQFMXUSWJD-WDEREUQCSA-N 319.383 -0.413 30 20 DBED C[C@H](C#N)CN(C)C(=O)CN1CCN(S(C)(=O)=O)CC1 347486085 AIBXDDRNKIPRAD-LLVKDONJSA-N 302.400 -0.818 30 20 DBED CC(C)[C@H](C#N)NC(=O)Cn1ccc2c(=O)n(C)c(=O)n(C)c21 347502781 OAUWFMKPHOMJLH-NSHDSACASA-N 317.349 -0.297 30 20 DBED N#Cc1ccc(OC[C@H](O)CN2CCN(C(=O)CO)CC2)cc1 348288444 NVCUEFIGKOUQAK-CQSZACIVSA-N 319.361 -0.566 30 20 DBED C[C@H]([C@@H](C)S(C)(=O)=O)N(C)S(=O)(=O)N(C)CCC#N 354545783 XXFQMCXNKCKUGA-NXEZZACHSA-N 311.429 -0.170 30 20 DBED C=CCOC[C@@H](NC(=O)[C@H]1CCCCS1(=O)=O)C(=O)OC 360723734 WDFXIGHDWRMPJK-GHMZBOCLSA-N 319.379 -0.186 30 20 DBED C[C@H]1CNCCN1C(=O)C(=O)NCCOc1ccc(C#N)cc1 419467591 SWLCUWOOPUUFEM-LBPRGKRZSA-N 316.361 -0.126 30 20 DBED CCCN(C)C(=O)[C@@H]1CSCN1C(=O)Cn1cnc(C#N)n1 426421668 RJWOTXKCRBUMDG-JTQLQIEISA-N 322.394 -0.080 30 20 DBED CC#CCNC(=O)CCC(=O)Nc1ccc2nc(O)[nH]c2n1 429196692 LLDOADMXQUPKBI-UHFFFAOYSA-N 301.306 0.522 30 20 DBED C=C(C)CCNC(=O)N1CCN(C(=O)Cn2cnnn2)CC1 458996587 GXGBSGPQNOFKOX-UHFFFAOYSA-N 307.358 -0.507 30 20 DBED COCCN(CCC#N)S(=O)(=O)NC[C@H](C)CN(C)C 490046962 SDMROYLGQLLUJA-LBPRGKRZSA-N 306.432 -0.119 30 20 DBED C#CCN(C)CCCNC(=O)N[C@@H]1CCc2nnnn2CC1 491483508 CBEFYLZMPXITID-GFCCVEGCSA-N 305.386 -0.368 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@H](OC)[C@H](C)CC)CC1 491703672 NXWYMLAGTYYKCA-UKRRQHHQSA-N 309.410 -0.059 30 20 DBED C#CCN1CCN(C(=O)CN2CC[S@](=O)[C@@H](C)[C@@H]2C)CC1 491747969 XDKJLZQSUHLBAG-RXSFTSLZSA-N 311.451 -0.395 30 20 DBED CN(CCCNS(=O)(=O)c1ccc(C#N)o1)S(C)(=O)=O 588110697 UQQKNUZVLUIYCO-UHFFFAOYSA-N 321.380 -0.289 30 20 DBED CCS(=O)(=O)NCC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 611147486 SGNGIIDUMMZOKU-LBPRGKRZSA-N 316.427 -0.382 30 20 DBED C=CCn1cc(CNC(=O)N2CC(S(=O)(=O)CC)C2)nn1 665181837 AGWFTWRDIQUGIE-UHFFFAOYSA-N 313.383 -0.207 30 20 DBED C#CCNC(=S)NC1CCN(CCS(C)(=O)=O)CC1 758234614 MSYCXVONHCCNGA-UHFFFAOYSA-N 303.453 -0.407 30 20 DBED CS(=O)(=O)NN=C1CCN(CCN2CCOCC2)CC1 764706831 FWACWNVVQSCPGX-UHFFFAOYSA-N 304.416 -0.680 30 20 DBED C#CCN1CCN(C(=O)c2cnc3c(c2)NC(=O)CO3)CC1 770754973 YRRJGNQUFZGVRE-UHFFFAOYSA-N 300.318 -0.197 30 20 DBED C#C[C@@H](NC(=O)C(=O)Nc1cc(C)c(=O)n(C)c1)[C@H]1CCCO1 773791511 CIAXGCLBEWUAGK-CHWSQXEVSA-N 317.345 -0.071 30 20 DBED C=CCN(CC(=O)OCC)S(=O)(=O)[C@H](C)C(=O)N(C)C 774875103 HXIRXEXRTLXLDD-SNVBAGLBSA-N 306.384 -0.156 30 20 DBED CCS(=O)(=O)CCN(C)S(=O)(=O)N(C)C[C@H](C)C#N 800096662 YVGHERHZGVIDSF-SNVBAGLBSA-N 311.429 -0.311 30 20 DBED O=C(COc1ccccc1)NCC(=O)N[C@H]1CCCN(O)C1=O 816756506 YOKHTWCTUYFXQV-LBPRGKRZSA-N 321.333 -0.322 30 20 DBED C=CCNC(=O)CNC(=O)COc1cccc(-c2nn[nH]n2)c1 823919977 VHIHDVUWXQIZFD-UHFFFAOYSA-N 316.321 -0.336 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)C2(CC)COC2)CC1 831564715 DTRUZDPCFIAAJJ-UHFFFAOYSA-N 315.395 -0.975 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CCC=CO2)CC1 831568660 NHPYIEGEYDJBST-LBPRGKRZSA-N 313.379 -0.709 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](F)C(C)C)CC1 831569169 ZZOPGLJDICUCHZ-NSHDSACASA-N 305.375 -0.408 30 20 DBED CN(CCC#N)C[C@H](O)CN1CC(CNC(=O)C(F)(F)F)C1 871992336 WSWJIBPSRRJQLH-NSHDSACASA-N 322.331 -0.197 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)NCCN1CCCC1=O 875440807 MFUMOORZPCMZTQ-LBPRGKRZSA-N 309.366 -0.730 30 20 DBED C#C[C@@H](NC(=O)N(CCO)CCOCCO)[C@H]1CCCO1 875506907 RCZJFGFCCYWPRO-CHWSQXEVSA-N 300.355 -0.820 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)NCCC2CC2)CC1 893296966 HAGJCSVTQHDVOG-UHFFFAOYSA-N 314.411 -0.419 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@H](C)[C@H](O)CC)CC1 900585801 ZKBQFLVWSSGUQX-ZIAGYGMSSA-N 309.410 -0.323 30 20 DBED COC(=O)CN(CC#N)C(=O)[C@H]1CC[C@H](C(F)(F)F)NC1=O 906748248 AYZOWZMVVDRWGO-JGVFFNPUSA-N 321.255 -0.031 30 20 DBED C=C(Cl)CN[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@H]1C 939330774 VDKASUXZRGFKEB-PSASIEDQSA-N 314.773 -0.273 30 20 DBED C[C@H](C#N)C(=O)N1CCC2(CCN(C(=O)CC(N)=O)CC2)C1 944368012 JIRPQZSKHJDPQT-LLVKDONJSA-N 306.366 -0.137 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(NC(=O)C[C@@H]2CCNC2=O)CC1 948095934 CSPLHJGZBOZSHV-QWRGUYRKSA-N 306.366 -0.221 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(NC(=O)[C@H]2COCCN2C)CC1 948096250 IKZNIZAMFJLPSS-WCQYABFASA-N 308.382 -0.416 30 20 DBED C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1NC(=O)c1cnn[nH]1 948570527 VLBIHEGDEVSVFX-PRHODGIISA-N 313.321 -0.105 30 20 DBED CS(=O)(=O)CC(=O)N1CC[C@H]1CNC(=O)c1ccc(C#N)[nH]1 949445409 VVFABTFNONNJGY-JTQLQIEISA-N 324.362 -0.738 30 20 DBED C#Cc1cncc(C(=O)N(C)C2CN(C(=O)c3cnnn3C)C2)c1 955264130 SIQKRTQMDYOFIY-UHFFFAOYSA-N 324.344 -0.212 30 20 DBED CC#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cccc(C(N)=O)c2)C1 958190833 NYFZBBJFHMMQPP-LSDHHAIUSA-N 315.373 -0.169 30 20 DBED CC#CCN1C[C@@H](O)[C@H](CNC(=O)c2cn3cccnc3n2)C1 958214641 KIUWOIDRQGKHHR-TZMCWYRMSA-N 313.361 -0.225 30 20 DBED N#CCN1C[C@H]2[C@H](NC(=O)[C@@H]3OCCO[C@@H]3C(F)(F)F)[C@H]2C1 960554013 DKQDPQSYVLDJOA-KJPMQGKISA-N 319.283 -0.097 30 20 DBED N#CCN1C[C@H]2C(NC(=O)c3cnc4c(c3)NC(=O)CO4)[C@@H]2C1 960821984 ADDHQJLTHUPJDR-NXEZZACHSA-N 313.317 -0.404 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCCO3)C[C@@H]2O)[nH]1 962328847 NFVRUWGNNSROLZ-FRRDWIJNSA-N 318.333 -0.633 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)c2csc(O)n2)C1 969836236 CRKVKWUSGUPKIE-OOZYFLPDSA-N 310.335 -0.690 30 20 DBED C=CCN1C[C@H]2CC[C@H]1CN2C(=O)CCn1cc[nH]c(=O)c1=O 971926451 MOETYEHRMPNYOP-QWHCGFSZSA-N 318.377 -0.212 30 20 DBED C#CCN1C[C@H]2CC[C@H]1CN2C(=O)Cn1nc(C)n(C)c1=O 972070727 XXVMLPZFGOSWEH-QWHCGFSZSA-N 303.366 -0.801 30 20 DBED CN1C[C@H](C(=O)N[C@H]2[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]32)CC1=O 976657720 BSGJOYGBGBXVLM-FOCJUVANSA-N 315.373 -0.549 30 20 DBED CC1(C)CN(CC#N)C[C@@H]1NC(=O)CN1CCC(=O)NC1=O 977446244 JBGSSUALSLBRJT-JTQLQIEISA-N 307.354 -0.722 30 20 DBED C[C@@H]1C[C@H](CNCc2nnn(C)n2)CN1C(=O)C#CC1CC1 980575653 RHFSUAXFBKOZCP-DGCLKSJQSA-N 302.382 -0.050 30 20 DBED C#CCCN1CCCN(C(=O)CCc2nnc(O)nc2O)CC1 981535065 MXNHLYRNVLWSET-UHFFFAOYSA-N 319.365 -0.227 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC(NC(=O)C[C@H]2CCCO2)C1 990316372 ATSWTPGLMNBVMY-CABCVRRESA-N 319.405 -0.020 30 20 DBED C=CCn1cc(C(=O)N2CC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)nn1 991289904 HIJMOHQWVQSVPJ-MWLCHTKSSA-N 320.309 -0.930 30 20 DBED C#CCN1CC[C@]2(NC(=O)CN3CCN(C)C(=O)C3)CCC[C@@H]12 991469927 GUCSPKCAFYOUNU-RHSMWYFYSA-N 318.421 -0.493 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)[C@@H]3COCCO3)C2)cn1 997090668 QNIMUILRZMEXAX-AWEZNQCLSA-N 315.329 -0.581 30 20 DBED C[C@@H](C#N)C(=O)N1CC([C@H](C)NC(=O)C2CC(=O)NC(=O)C2)C1 1006419708 FXUZAOAOGZTJDN-IUCAKERBSA-N 320.349 -0.838 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CCN(C(=O)CC(N)=O)CC1 1010807890 SNFKLQNWINSPNP-NEPJUHHUSA-N 309.366 -0.486 30 20 DBED C#Cc1ccc(C(=O)NC2[C@@H]3CN(C(=O)c4cnn[nH]4)C[C@@H]23)nc1 1013514773 ZGVSPRSHWYWAFX-GHMZBOCLSA-N 322.328 -0.319 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCN(Cc3n[nH]c(C)n3)C2)nn1 1015810197 CDCSLLSBWUSFPW-LLVKDONJSA-N 316.369 -0.105 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2C[C@@H](NCCN3CCNC3=O)C2)[nH]1 1021981118 MRINGBCZLUVWBJ-TXEJJXNPSA-N 316.365 -0.238 30 20 DBED C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2O)CCN1C 1023970068 FIPMFKOZBZBGOO-NMFUWQPSSA-N 319.405 -0.572 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)C2(F)CCOCC2)C1 1024227649 QLGRQLDVSFCKOR-HBNTYKKESA-N 313.329 -0.647 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)COC)C[C@H]2O)cn1 1024926466 BQGKALYLXKFDEL-CHWSQXEVSA-N 303.318 -0.989 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccncn2)C1 1025231440 SCWGCEHQLLCXHC-VXGBXAGGSA-N 304.350 -0.010 30 20 DBED Cn1nnc(CNC[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)n1 1026794644 NHLGUSYVHJBUNB-SNVBAGLBSA-N 314.353 -0.338 30 20 DBED CC[C@@H](C(N)=O)N1CCO[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 1035327590 XDWQORUOAZPOIJ-AAEUAGOBSA-N 319.365 -0.419 30 20 DBED CC#CCN1CCO[C@@H](CNC(=O)c2ccc(C(N)=O)[nH]2)C1 1035511341 QEHNNOMYPJJDJE-NSHDSACASA-N 304.350 -0.433 30 20 DBED C=CCCn1cc(C(=O)NC[C@H]2CCN2[C@@H](CC)C(N)=O)nn1 1038790176 OQSKQEJFLGJRAO-YPMHNXCESA-N 320.397 -0.078 30 20 DBED C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1cnc(C(N)=O)n1 1039377370 ULULKDIKMWBSBZ-NEPJUHHUSA-N 316.365 -0.925 30 20 DBED C[C@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)c2cccnc2)C1 1040763020 MZGYTMGGCADYRI-IAQYHMDHSA-N 302.334 -0.066 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(O)(CNC(=O)c2cnn(C)c2)C1 1041413590 XXGDLUIKKUOCKF-CQSZACIVSA-N 322.365 -0.950 30 20 DBED Cn1c(O)ncc(C(=O)N2CC[C@]3(CCN(CC#N)C3)C2)c1=O 1041531821 KNKHKEMEJYMMGP-HNNXBMFYSA-N 317.349 -0.453 30 20 DBED C=CCN1CC[C@@H]2CCN(C(=O)CN3CCN(C)C(=O)C3)C[C@@H]21 1042122910 PDLFOMOVNDQJNU-CABCVRRESA-N 320.437 -0.131 30 20 DBED C=CCn1cc(C(=O)N2CC[C@@H]3CCN(CC(N)=O)[C@@H]3C2)nn1 1042263570 WFDHVIWRBGEENL-WCQYABFASA-N 318.381 -0.514 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)Cn2ccnc2C)C1 1042801728 RNTFTVVJZIUQEY-UHFFFAOYSA-N 318.377 -0.315 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@]23CCOC3)C1 1042937879 MNXKYHSWTCBRDN-BBRMVZONSA-N 320.389 -0.238 30 20 DBED CN(C(=O)Cn1nc2ccccn2c1=O)C1CN(CC#N)C1 1043499770 GEXNIQXHVGISGK-UHFFFAOYSA-N 300.322 -0.838 30 20 DBED N#Cc1nccnc1N1C[C@H](O)[C@H](NC(=O)c2cccnc2)C1 1043826993 ULPRBPVHRUBUMI-OLZOCXBDSA-N 310.317 -0.277 30 20 DBED C=C(C)C[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2cnn(C)n2)C1 1043891185 RHCXQPLXZXBYJA-LLVKDONJSA-N 321.381 -0.280 30 20 DBED C=C(C)C(C)(C)C(=O)NCC1(O)CN(C(=O)[C@H]2CCC(=O)N2)C1 1044409298 ANFGWYSANJMKMU-LLVKDONJSA-N 323.393 -0.443 30 20 DBED N#Cc1cnccc1N1C[C@H](O)[C@H](NC(=O)c2ccnnc2)C1 1044577313 WEMIKTFFGHVVFS-OCCSQVGLSA-N 310.317 -0.277 30 20 DBED C=CCC(C)(C)C(=O)N1CC(O)(CNC(=O)c2nnn(C)n2)C1 1044935673 WQJCDNNKAPQLMD-UHFFFAOYSA-N 322.369 -0.885 30 20 DBED Cc1c(CC(=O)N2CC(O)(CNC(=O)[C@@H](C)C#N)C2)cnn1C 1045551091 FHJJKNOWBKRFMW-JTQLQIEISA-N 319.365 -0.880 30 20 DBED C[C@]1(NC(=O)C2CC3(C2)NC(=O)NC3=O)CCN(CC#N)C1 1046697557 NDRZBLIPCLDLNM-IMXVTNBVSA-N 305.338 -0.921 30 20 DBED N#Cc1cnc(N[C@H]2C[C@H](CNC(=O)[C@@H]3COC(=O)N3)C2)cn1 1046809132 QSSXVKDLPYRGGX-QXEWZRGKSA-N 316.321 -0.237 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)Cc2cnn3c2CCCC3)C1 1047415502 CJKPKHVFEUTACY-HOTGVXAUSA-N 316.405 -0.101 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)c2ccccn2)C[C@@H]1O 1049388197 GWLDHTLJQLVSQO-WXHSDQCUSA-N 302.334 -0.115 30 20 DBED C#CCCN1CCOC[C@H]1CNC(=O)c1ccc(C(N)=O)nc1 1051269817 YEROZQHXPKVKGA-CYBMUJFWSA-N 316.361 -0.366 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@H]([C@@H](C)NC(=O)C(N)=O)C2)cn1 1051309928 YTWRAEANNPAJHA-PWSUYJOCSA-N 314.345 -0.485 30 20 DBED C=CCCN1CCN([C@@H]2CCN(C(=O)[C@H]3CNC(=O)N3)C2)CC1 1052072760 BVWSLQFHHDYXLQ-ZIAGYGMSSA-N 321.425 -0.538 30 20 DBED N#CCN1CCC[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)CC1 1052864262 DTRSELYZTLHAFK-JTQLQIEISA-N 315.337 -0.475 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)c3cc(=O)n(C)cn3)CO2)C1 1053836880 UAPUGDHMCJTHQP-LBPRGKRZSA-N 316.361 -0.623 30 20 DBED C#CCN[C@@H]1CN(C(=O)CN2CCCCS2(=O)=O)C[C@@H]1C 1054912520 VDCHCPJZNQLLPT-QWHCGFSZSA-N 313.423 -0.518 30 20 DBED C=CCCC(=O)N1C[C@H]2CN(C(=O)[C@@H]3CN(C)C(=O)N3)C[C@H]2C1 1055238786 VWDAMHKYGBVPGK-XQQFMLRXSA-N 320.393 -0.107 30 20 DBED C=CCCCC(=O)NCCN1CCC(NC(=O)C(N)=O)CC1 1055625763 IEXAKIHMVHWGAX-UHFFFAOYSA-N 310.398 -0.475 30 20 DBED C#CCNC(=O)CC(=O)N[C@]1(CO)CCCN(C(=O)CCC)C1 1055896632 KUJKPBOLAWNWFD-MRXNPFEDSA-N 323.393 -0.604 30 20 DBED C[C@H](C#N)C(=O)N[C@@]1(CO)CCCN(C(=O)c2cnnn2C)C1 1056094358 SBACXPYMMNFFLF-YGRLFVJLSA-N 320.353 -0.942 30 20 DBED N#Cc1nccc(N2C[C@@H]3C(NC(=O)Cn4cccn4)[C@H]3C2)n1 1056140994 MSSKBGCPECTGSU-QWRGUYRKSA-N 309.333 -0.204 30 20 DBED Cn1cc(CC(=O)NC2[C@H]3CN(c4nccnc4C#N)C[C@H]23)cn1 1056146213 FDEDCWHIZKJTNV-RYUDHWBXSA-N 323.360 -0.125 30 20 DBED N#Cc1nccc(N2C[C@H]3C(NC(=O)[C@H]4C[C@H]4C(N)=O)[C@@H]3C2)n1 1056407559 VDPOFLJRTYTCIF-UTINFBMNSA-N 312.333 -0.980 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)COCCC 1057193940 UZBXBODVNKRCET-UHFFFAOYSA-N 302.371 -0.447 30 20 DBED N#Cc1cncc(N[C@@H]2CCCN(C(=O)[C@H]3COC(=O)N3)C2)n1 1057631098 JKIOEBPRGZMRDD-MWLCHTKSSA-N 316.321 -0.140 30 20 DBED N#Cc1nccnc1N1CC[C@H](NC(=O)C[C@@H]2COC(=O)C2)C1 1058339531 UWFZKVYJIUWHDN-QWRGUYRKSA-N 315.333 -0.004 30 20 DBED N#Cc1ccc(N2CC[C@H](NC(=O)C[C@H]3CCC(=O)N3)C2)nn1 1058396890 XDIBJCBTFFGNOC-PWSUYJOCSA-N 314.349 -0.288 30 20 DBED C=C[C@H](C)[C@@H](C)C(=O)N(CCO)CCNC(=O)CNC(N)=O 1058433287 MZHCVQSOHHYOIF-WDEREUQCSA-N 314.386 -0.950 30 20 DBED CCOC1CC(C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N)C1 1058652854 GTLCIAPDLJMOTL-HIFPTAJRSA-N 311.382 -0.102 30 20 DBED CC[C@@H]1CCO[C@@H]1C(=O)NCCN(CCO)C(=O)[C@H](C)C#N 1058660430 AFXTWUODCYPENI-UPJWGTAASA-N 311.382 -0.102 30 20 DBED CN1CC[C@@H](C(=O)N[C@H]2C[C@@H](Nc3cnc(C#N)cn3)C2)C1=O 1059786497 UBJWBXLKSLJSBE-UMNHJUIQSA-N 314.349 -0.114 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H]1COCCN1C(=O)COCC 1061582099 YRTXQSXGCHBPNF-QWHCGFSZSA-N 312.366 -0.595 30 20 DBED C[C@H]1CN(C(=O)CC(N)=O)CC[C@H]1N=c1cc[nH]c(C#N)n1 1063712778 DFFMQGVLIIRBQV-VHSXEESVSA-N 302.338 -0.706 30 20 DBED CCS(=O)(=O)CC(=O)NC1(CNC(=O)[C@H](C)C#N)CCC1 1064308398 GJTRVSRSMQSHKT-SNVBAGLBSA-N 315.395 -0.264 30 20 DBED N#Cc1nccc(N2CC[C@H]3CC[C@@H](C2)N3C(=O)CC(N)=O)n1 1064466128 GPIRCWCQZSTAMP-MNOVXSKESA-N 314.349 -0.207 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)Cc2cc[nH]n2)CCO1 1065005579 UNNPYAOAKHDECP-AWEZNQCLSA-N 318.377 -0.045 30 20 DBED Cc1cc(C(=O)N2CCO[C@@H](CNC(=O)[C@@H](C)C#N)C2)cnn1 1065085112 GJERTCSWZUGNHZ-GWCFXTLKSA-N 317.349 -0.098 30 20 DBED CC(C)C#CC(=O)N1CCO[C@@H](CNC(=O)Cn2cncn2)C1 1065132357 CWTFQDINZHTWGS-ZDUSSCGKSA-N 319.365 -0.719 30 20 DBED CN(C(=O)C(N)=O)[C@H]1CCCN(c2nccnc2C#N)CC1 1067607646 FRCHUZNZAFJTPM-JTQLQIEISA-N 302.338 -0.349 30 20 DBED C=CCCC(=O)N1CC2(C[C@@H](NC(=O)CC(=O)N(C)C)CO2)C1 1068874476 QOGBVLMIYBOOHL-GFCCVEGCSA-N 323.393 -0.083 30 20 DBED C#CCCN1CCn2ncc(CNC(=O)[C@H]3CNC(=O)N3)c2C1 1069871490 DYIUKUHDROVSQE-GFCCVEGCSA-N 316.365 -0.980 30 20 DBED CC#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H]2CCOC2)C1 1069901622 MHLTUVOEACVMOQ-MCIONIFRSA-N 303.366 -0.321 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@@H]1n1ccnn1 1070209350 ZUOBSCSZHWNJSM-ILXRZTDVSA-N 316.409 -0.407 30 20 DBED N#CCN[C@@H]1CN(C(=O)Cc2cnc[nH]2)C[C@@H]1n1ccnn1 1070284565 JTFVCTCMRMQXOJ-NEPJUHHUSA-N 300.326 -0.891 30 20 DBED N#CCN1C[C@H]2C[C@@H]3CN(C(=O)[C@@H]4CCC(=O)N4)C[C@@]3(C1)O2 1070881888 DJHCGSCNHXVLFR-MCYUEQNJSA-N 304.350 -0.910 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)c2cnccn2)CC1 1070933418 LBKOVNBELNQFJL-UHFFFAOYSA-N 303.366 -0.073 30 20 DBED C#CCN1C[C@@H](NC(=O)Cn2ccc(O)nc2=O)CC[C@@H]1C 1071659342 IPAGPVMGWMWVCF-RYUDHWBXSA-N 304.350 -0.449 30 20 DBED C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1NC(=O)Cn1nccn1 1071661219 HJPIJEIGAVCXFL-GHMZBOCLSA-N 322.394 -0.502 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CCN(C(=O)COC)CC1 1074418732 WZVRNXINORTERX-GFCCVEGCSA-N 312.366 -0.859 30 20 DBED C#CCCCC(=O)N[C@H]1CCN(C(=O)Cn2cnnn2)[C@H](C)C1 1074960423 KQYVCQNGVXQLDI-OLZOCXBDSA-N 318.381 -0.028 30 20 DBED CC#CCN1C[C@@H]2CCN(C(=O)CN3C(=O)CN(C)C3=O)[C@@H]2C1 1076545146 LIIXFNVYNGRJIF-QWHCGFSZSA-N 318.377 -0.564 30 20 DBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[C@H](C)NC(=O)C(N)=O 1076706221 WSQZPMODRYOYEM-SRVKXCTJSA-N 311.382 -0.146 30 20 DBED C=CCOCC(=O)N[C@@H](C)CCNC(=O)c1cnc(O)n1C 1077729360 NFLUXJJZXPRMSR-JTQLQIEISA-N 310.354 -0.047 30 20 DBED C[C@@H](CCNC(=O)[C@H](C)C#N)NC(=O)CCc1cn(C)nn1 1078136605 QWBCEVNUQLGLAM-MNOVXSKESA-N 306.370 -0.082 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN2C(=O)CCC)C1 1078222456 BWRKSGCZEQDHFX-HZSPNIEDSA-N 307.394 -0.428 30 20 DBED C#CCN[C@@H]1C[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C12CCC2 1078630379 XUUBSIZRCXJPJS-GHMZBOCLSA-N 316.365 -0.973 30 20 DBED C[C@@H]1CN(Cc2nnn(C)n2)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 1079542331 RGCPTRIRBGQENL-BXKDBHETSA-N 314.353 -0.340 30 20 DBED Cc1nn(C)c(=O)c(C(=O)N[C@@H]2CN(CC#N)C[C@H]2C)c1C 1080237748 CIDNOPLVOIESOU-BXKDBHETSA-N 303.366 -0.029 30 20 DBED C[C@@H](C#N)C(=O)NC1(CO)CCN(C(=O)c2cnon2)CC1 1080981675 KEBSANDEZFLDQN-VIFPVBQESA-N 307.310 -0.687 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cnn(C)c2)C1 1081248362 OVMPKDIDLNTTNY-GXTWGEPZSA-N 318.377 -0.371 30 20 DBED Cc1cc(C(=O)NC[C@@H]2CN(C(=O)C#CC(C)C)C[C@@H]2O)n[nH]1 1081308646 ZMPOJMHPCBTHOA-OCCSQVGLSA-N 318.377 -0.073 30 20 DBED C=C(C)CCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cnn(C)n2)C1 1081599191 ZGERZTLPTNSAQD-WCQYABFASA-N 321.381 -0.280 30 20 DBED CCc1c(C(=O)N[C@@H]2CN(CC#N)C[C@H]2OC)nnn1CC 1082128274 TVMYZSQRKUWTOV-ZYHUDNBSSA-N 306.370 -0.187 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)C[C@@H]1CCCC(=O)N1 1083137869 VAEXPEICGFOYPO-MELADBBJSA-N 305.378 -0.410 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)Cc2ccccc2C(N)=O)C1 1083691515 RZRZLARFONPFRH-CABCVRRESA-N 315.373 -0.487 30 20 DBED Cc1cnc2c(C(=O)N[C@@H]3CN(CC#N)C[C@@H]3O)cnn2c1 1083826877 PELSWRLDNYVBLQ-NEPJUHHUSA-N 300.322 -0.664 30 20 DBED N#CCN1C[C@H]2[C@@H]3CC[C@@H](CN3C(=O)C3(C(N)=O)CC3)[C@H]2C1 1089859649 RGITYFJZPQAGFZ-LOWDOPEQSA-N 302.378 -0.056 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cnc(C)nc2OC)[C@H](O)C1 1090311001 PDIGVLWLQMLOOY-QWHCGFSZSA-N 304.350 -0.408 30 20 DBED C=CCN1CC[C@@H](NC(=O)c2ccnn2CCOC)[C@H](O)C1 1090348780 FRXFTORAOHBWNJ-TZMCWYRMSA-N 308.382 -0.120 30 20 DBED Cn1nnc2cc(C(=O)N[C@H]3CCN(CC#N)C[C@@H]3O)cnc21 1090440790 GVUNBLPAQKYQEL-JQWIXIFHSA-N 315.337 -0.948 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)c2cn(C)c(=O)cn2)[C@@H](O)C1 1090442208 QUVFLTJLZHDWJY-AAEUAGOBSA-N 306.366 -0.479 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)Cn2ccccc2=O)[C@H](O)C1 1090797961 IZAMHGLZBJCJFX-UONOGXRCSA-N 305.378 -0.024 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2cccnc2N(C)C)[C@@H](O)C1 1090805517 NRWXSNDIGXGHKT-KGLIPLIRSA-N 302.378 -0.054 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2ccc(C(N)=O)cn2)[C@H](O)C1 1090843032 FWGXBLRYPZJQKW-GXTWGEPZSA-N 316.361 -0.631 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(c2ncncc2Cl)C[C@@H]1O 1091152869 KTJARFSJZXQJOO-JLLWLGSASA-N 324.768 -0.166 30 20 DBED CCC(=O)NCC(=O)N1CCN(c2cncc(C#N)n2)CC1 1093150086 NBRNHNYINVJHSE-UHFFFAOYSA-N 302.338 -0.477 30 20 DBED CNC(=O)CC(=O)N[C@H]1[C@@H]2CN(c3nc(C)ccc3C#N)C[C@@H]21 1093242363 UACZMBRHSOBZDW-JYAVWHMHSA-N 313.361 -0.051 30 20 DBED N#Cc1cnc(NCCNC(=O)[C@@H]2CCc3nn[nH]c3C2)cn1 1093761158 SSXHIZQMPIDJMK-SECBINFHSA-N 312.337 -0.200 30 20 DBED N#Cc1nc(=NCCNC(=O)[C@H]2CCC[C@@H](C(N)=O)C2)cc[nH]1 1093861612 CJQYIURMCFESDK-MNOVXSKESA-N 316.365 -0.410 30 20 DBED COc1cc(O)ncc1C(=O)NCCN=c1cc[nH]c(C#N)n1 1094128772 BOJGJSASXIKZTA-UHFFFAOYSA-N 314.305 -0.279 30 20 DBED C#CCN1CC(n2cc(CNC(=O)[C@@H]3[C@H]4COC[C@H]43)nn2)C1 1094311005 DWAUMDLSGNGXFM-WDNDVIMCSA-N 301.350 -0.723 30 20 DBED Cc1nc(CC(=O)NCCCNc2cncc(C#N)n2)n[nH]1 1094401644 GTZXLDHIRDWDLW-UHFFFAOYSA-N 300.326 -0.064 30 20 DBED Cn1cc(C(=O)NCCCN=c2cc[nH]cc2C#N)n(C)c1=O 1094464718 WZXAPBWTOZKGIH-UHFFFAOYSA-N 314.349 -0.356 30 20 DBED CCN1CCN(C(=O)c2c[nH]c(C#N)c2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094618641 DGEODPRYFOVEPL-QWHCGFSZSA-N 322.390 -0.170 30 20 DBED N#CCN1CCN(C(=O)C=C2CCC2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094623335 WQCPGWBDJFZOMK-QWHCGFSZSA-N 309.391 -0.070 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)Cn3cc(C)cn3)CC2=O)C1 1094706447 CCXHLWNSWVLFLK-ZDUSSCGKSA-N 317.393 -0.221 30 20 DBED CC(=O)NCC(=O)N1CCC[C@H](Nc2cncc(C#N)n2)C1 1095272643 FCQWWDSFFCYBIX-NSHDSACASA-N 302.338 -0.113 30 20 DBED CCN(CCCNC(=O)c1nnn(C)n1)c1cncc(C#N)n1 1095944918 BYXRTLLEAVWUCY-UHFFFAOYSA-N 315.341 -0.482 30 20 DBED COCCOCC(=O)N[C@@H]1CCN(c2ccnc(C#N)n2)C1 1096341378 RDXDEIBTHGTRDI-LLVKDONJSA-N 305.338 -0.294 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCN(c2nccn3nnnc23)C1 1096440979 BVZYNNCRCGTRKB-LLVKDONJSA-N 315.337 -0.746 30 20 DBED N#Cc1ccc(N[C@H]2C[C@H](NC(=O)C(=O)NCC3CC3)C2)nn1 1097056080 CMIRSIDLKVEGMX-HAQNSBGRSA-N 314.349 -0.066 30 20 DBED C[C@@H](CNC(=O)CN1C(=O)CCC1=O)Nc1ccc(C#N)nn1 1097848836 YUFHIOLZOTXLRD-VIFPVBQESA-N 316.321 -0.586 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cnn2c(=O)cc[nH]c12 1097994906 YKKGCEXRKIGKSZ-RTXFEEFZSA-N 311.345 -0.009 30 20 DBED N#CCN(CCO)C1CCN(C(=O)[C@@H]2CCNC(=O)CC2)CC1 1098442669 JFRXSHDSCYTNPX-ZDUSSCGKSA-N 322.409 -0.288 30 20 DBED C#CCN(CCO)C1CCN(C(=O)[C@@]2(C)CCC(=O)NC2)CC1 1098458759 AVKWZTXKXDETES-KRWDZBQOSA-N 321.421 -0.179 30 20 DBED C#CCOCCC(=O)N1CC[C@H](n2cc(CNCC#N)nn2)C1 1098674075 YXERVZQOQHYTIH-AWEZNQCLSA-N 316.365 -0.295 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)c2ccc(C)o2)[C@H](O)C1 1099641778 HUCKWHPOYWSXHR-CHWSQXEVSA-N 319.361 -0.498 30 20 DBED COCC#CCN1CC[C@H](NC(=O)Cc2ccnn2C)[C@H](O)C1 1099794999 VJJMIOGXKHDHNJ-LSDHHAIUSA-N 320.393 -0.836 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2nccs2)[C@@H](O)C1 1100044456 WWKPKUUDANLYRS-RYUDHWBXSA-N 309.391 -0.042 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)CS(=O)(=O)N(C)C)[C@@H](O)C1 1100092167 KLRYLFPNXRSVCX-NEPJUHHUSA-N 319.427 -0.995 30 20 DBED C=CCNC1CC(CNC(=O)[C@@H](C)NS(=O)(=O)CC)C1 1100351009 IBACNUZCZZZYSU-VOMCLLRMSA-N 303.428 -0.015 30 20 DBED CN(CCNC(=O)c1cnc2[nH]nnc2c1)c1cnc(C#N)cn1 1100382658 NGGUZZOLCSVYEN-UHFFFAOYSA-N 323.320 -0.119 30 20 DBED C=CCNC(=O)CNC1CC(CNC(=O)c2cncnc2O)C1 1100430747 NPZLDWQAZCYGAT-UHFFFAOYSA-N 319.365 -0.418 30 20 DBED CC#CCNC1CC(CNC(=O)[C@H](CCC)S(N)(=O)=O)C1 1100536410 YQQAEJZCOZIQDO-BPCQOVAHSA-N 315.439 -0.049 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CCCN1c1nccn2nnnc12 1100810561 WQKRDMQWKYAVOR-NXEZZACHSA-N 300.326 -0.236 30 20 DBED C[C@H](CC(N)=O)C(=O)NC[C@H]1CCCN1c1ccc(C#N)nn1 1100886894 QIBHEFHDQRUJNE-ZYHUDNBSSA-N 316.365 -0.055 30 20 DBED CC[C@@H](CNC(=O)[C@@H]1COC(=O)N1)Nc1ccc(C#N)nn1 1103053437 UNRMVZTXYYOJOH-WPRPVWTQSA-N 304.310 -0.237 30 20 DBED CC#CCN1C[C@@H](C)[C@H](CCNC(=O)Cn2c(O)nnc2O)C1 1103678521 VQMBAQRDODGOHK-VXGBXAGGSA-N 321.381 -0.213 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CN(c2cnc(C#N)cn2)CCO1 1104301764 KLBBQHHVMAVDGY-ZYHUDNBSSA-N 300.322 -0.171 30 20 DBED CC(=O)N[C@H](C)C(=O)N(C)CCN(C)c1ccnc(C#N)n1 1105319281 GMQLNDPKSOYYFH-SNVBAGLBSA-N 304.354 -0.233 30 20 DBED C[C@@H](CCNc1cncc(C#N)n1)NC(=O)Cn1cncn1 1106332831 AJDMRGSOLNGHAJ-JTQLQIEISA-N 300.326 -0.053 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)[C@@H]2CCC(=O)NC2)C[C@H]1C 1106356912 OICAQKHFWANDSY-RBSFLKMASA-N 321.421 -0.154 30 20 DBED C[C@H](CCNc1cncc(C#N)n1)NC(=O)[C@H]1CCNC1=O 1106514874 CQLOFNKIPTZEFN-KOLCDFICSA-N 302.338 -0.209 30 20 DBED C=CCNC(=O)CNC[C@@H]1CN(C(=O)Cc2ncc[nH]2)C[C@H]1C 1106799684 MANYFTVWRBUCPL-CHWSQXEVSA-N 319.409 -0.062 30 20 DBED Cn1cncc1CC(=O)NC/C=C\CN=c1cc[nH]c(C#N)n1 1107263267 WAXGZEMAWOYHPV-IHWYPQMZSA-N 311.349 -0.169 30 20 DBED COCCn1nccc1C(=O)NC[C@@]1(C)CN(CC#N)CCO1 1108017606 UPCPLZJHYJQYBJ-HNNXBMFYSA-N 321.381 -0.126 30 20 DBED C#CCCN1CC(N2C[C@@H](NC(=O)[C@H](O)C(C)C)CC2=O)C1 1108543193 UNBWKAZMOSTRDX-SWLSCSKDSA-N 307.394 -0.572 30 20 DBED C[C@@H](CNc1ccc(C#N)cn1)NC(=O)CN1CCOCC1=O 1108753466 CQASTEHEUFQOMJ-NSHDSACASA-N 317.349 -0.271 30 20 DBED C[C@H](CN(C)c1cnc(C#N)cn1)NC(=O)CCn1cncn1 1108825965 PUMZYKVEXDRZON-LLVKDONJSA-N 314.353 -0.029 30 20 DBED C[C@H](CN(C)c1cncc(C#N)n1)NC(=O)CC(=O)N(C)C 1109264515 WESPWAAYIUCZPA-SNVBAGLBSA-N 304.354 -0.233 30 20 DBED CNC(=O)NCC(=O)N[C@H](C)CN(C)c1ccc(C#N)nc1 1109287753 QQFAHGMGGPLSRZ-SNVBAGLBSA-N 304.354 -0.177 30 20 DBED N#Cc1nccnc1NC[C@@H](NC(=O)C1(C(N)=O)CC1)C1CC1 1109963661 MBCWBLXPWODCKN-LLVKDONJSA-N 314.349 -0.080 30 20 DBED N#Cc1nc(=NC[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C2CC2)cc[nH]1 1109977999 GQMGUKBARTWNCU-VWYCJHECSA-N 314.349 -0.802 30 20 DBED C[C@H](C#N)C(=O)NC[C@]1(O)CCN(c2cncc(C#N)n2)C1 1111041478 ISCKGMUPKVPBNR-QMTHXVAHSA-N 300.322 -0.435 30 20 DBED CNC(=O)CC(=O)N1C[C@H](C)OC2(CCN(CC#N)CC2)C1 1111542287 OGNHLWYVVMYZBI-LBPRGKRZSA-N 308.382 -0.272 30 20 DBED CO[C@@H](C)C(=O)NC[C@@H]1COCCN1c1ccc(C#N)nn1 1111657918 VASFSBSPHVGINZ-CMPLNLGQSA-N 305.338 -0.295 30 20 DBED Cc1cc(N2CCOC[C@H]2CNC(=O)CC(N)=O)c(C#N)cn1 1111679138 FVGIJDSJHBWVGX-GFCCVEGCSA-N 317.349 -0.542 30 20 DBED CNS(=O)(=O)CC(=O)N[C@]12CCC[C@H]1CN(CC#N)C2 1111988998 VSOYPOVACAAOHG-JQWIXIFHSA-N 300.384 -0.970 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1CCN(C(=O)[C@H](C)C#N)CC1 1112718059 DTQWVOVGEGMYKH-NEPJUHHUSA-N 321.381 -0.309 30 20 DBED CC(=O)NCC(=O)N1CCC[C@@H]1CN(C)c1nccnc1C#N 1112778908 YDMOAGHWTYAGPF-GFCCVEGCSA-N 316.365 -0.088 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)Cc2ccnn2C)CC1 1112799679 SMHGOZFXYFPYFX-CYBMUJFWSA-N 317.393 -0.755 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)CCc2cnn[nH]2)CC1 1113357881 TVMACXMFVOYGAZ-GFCCVEGCSA-N 318.381 -0.981 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)N1CCN(CCCO)CC1 1113685368 NTMYNZUKOPJBGM-UHFFFAOYSA-N 312.414 -0.223 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)c3cnc(C)cn3)[C@@H]2C1 1113801383 SAIAHWJQYKFNTQ-VXGBXAGGSA-N 315.377 -0.253 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)c3cc[n+]([O-])cc3)[C@H]2C1 1113806182 LQSQGGAJHHZCQB-FICVDOATSA-N 301.346 -0.370 30 20 DBED CNC(=O)NCC(=O)NC[C@H](C)N(C)c1cncc(C#N)n1 1113938308 GYTSZNSBPVMJIM-VIFPVBQESA-N 305.342 -0.782 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)Cc3cc[nH]n3)[C@H]2C1 1114087884 DPJXQQZFKJIPDI-RYUDHWBXSA-N 303.366 -0.699 30 20 DBED N#Cc1cnc(N2CCCCC[C@H]2CNC(=O)C(N)=O)cn1 1114377707 QIUXPJZFYNPUFD-NSHDSACASA-N 302.338 -0.301 30 20 DBED C=CCCN1C[C@@H]2C(NC(=O)CCn3cc[nH]c(=O)c3=O)[C@H]2C1 1114986750 MCDWQTJXJDFRGN-RYUDHWBXSA-N 318.377 -0.451 30 20 DBED N#CC1CCC(CNC(=O)C(=O)N2CCO[C@@H](C(N)=O)C2)CC1 1117693839 JQSFZMPESJOZDM-HTAVTVPLSA-N 322.365 -0.855 30 20 DBED COC(=O)[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C#N)C2)CCO1 1120332588 OWSHQSCNBQOVNH-QWRGUYRKSA-N 309.322 -0.851 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)[C@@H]2CCCOC2)nn1 1121196918 DNQQELUQAGKDCI-ZYHUDNBSSA-N 305.338 -0.336 30 20 DBED Cc1nn(C)cc1C(=O)NC[C@H](CO)Nc1cnc(C#N)cn1 1121212944 KFPMUUWCJLNFHJ-LLVKDONJSA-N 315.337 -0.407 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](CO)Nc1cc(-n2ccnc2)ncn1 1121213769 UDBFFRZYVJXJGK-WDEREUQCSA-N 315.337 -0.289 30 20 DBED C=CCn1c(CCO)nnc1N1C[C@H](C)O[C@H](C(=O)OC)C1 1121620261 KPOBRXGBVSNQNK-QWRGUYRKSA-N 310.354 -0.234 30 20 DBED C=CCn1c([C@@H]2CCNC(=O)C2)nnc1N1CCN(C)C(=O)C1 1121664971 GPTVTNLCVYEQJP-LLVKDONJSA-N 318.381 -0.264 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H](CO)N=c2cc[nH]cc2C#N)nc1 1121846774 BLRJCNVNTOTBLC-AWEZNQCLSA-N 321.340 -0.046 30 20 DBED C#C[C@@H](C)N(C)c1nnc(-c2cn(C)c(=O)n(C)c2=O)n1CC 1121870707 FZIQRZGABYKHDZ-SNVBAGLBSA-N 316.365 -0.180 30 20 DBED C[C@H]1C[C@@H](Nc2nccnc2C#N)CN1C(=O)CCNC(N)=O 1123230256 HKSQPKMWDAVVNU-VHSXEESVSA-N 317.353 -0.192 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)[C@H](C)n1cccn1 1123917515 BEXWPVCVSDFPEA-NSHDSACASA-N 322.369 -0.838 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]cc1C#N)C(=O)CSCC#N 1124111552 JQAUVTZDPOGEMJ-GFCCVEGCSA-N 319.390 -0.137 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C[C@@H](O)CNc1cc(F)ncn1 1124520739 WMLCOXYMWFDYGG-MNOVXSKESA-N 310.329 -0.115 30 20 DBED CN(C[C@H](O)CNc1ccc(C#N)nn1)C(=O)C(C)(C)C(N)=O 1124555065 VMQPWPWFKFSXNI-SNVBAGLBSA-N 320.353 -0.909 30 20 DBED CC(C)(C)[C@H](CN=c1cc[nH]cc1C#N)NC(=O)CNC(N)=O 1125761868 ABBDRQXBQHZGSY-LBPRGKRZSA-N 318.381 -0.014 30 20 DBED COc1ccc(C#N)cc1CNCCNC(=O)[C@@H]1COC(=O)N1 1126549101 XHZVJKSWFRPFJF-LBPRGKRZSA-N 318.333 -0.119 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCNC[C@H]1CCc2ncnn21 1129770168 CGNGJRLMSVGPNK-KGLIPLIRSA-N 316.409 -0.431 30 20 DBED C=CCN[C@@H]1CN(C(=O)C(C)(C)NC(C)=O)C[C@@H]1n1ccnn1 1130043952 IKXVFRQOMISHBX-OLZOCXBDSA-N 320.397 -0.280 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)CCc1ccncc1 1130696066 JIXLVXKNILQIQQ-ZDUSSCGKSA-N 302.378 -0.142 30 20 DBED COCCOCC(=O)N1C[C@@H]2C[C@@H]3CN(CC#N)C[C@]2(C1)O3 1131209874 LMTNPBXIBQOHER-GZBFAFLISA-N 309.366 -0.525 30 20 DBED C=CCC[C@H](C)N1CCNC(=O)CCN(C(=O)CC(N)=O)CC1 1131342202 OVZQDIPQAXVMML-ZDUSSCGKSA-N 324.425 -0.133 30 20 DBED C#CCNC(=O)CNCCNC(=O)CCc1ccnc(C)n1 1131759398 BIVLWLVLPGIEAP-UHFFFAOYSA-N 303.366 -0.827 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1cc(-c2ccco2)on1 1132047858 ZOWWAMTUYAWZNP-UHFFFAOYSA-N 317.305 -0.106 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)c1c[nH]c(=O)cn1 1133013346 FCXLQBAGCLLRNF-UHFFFAOYSA-N 319.365 -0.710 30 20 DBED COCC#CCNCCNC(=O)c1ccc2ncn(C)c2n1 1133803815 HJQJYWASSFFULT-UHFFFAOYSA-N 301.350 -0.063 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)c1cnc(O)cc1OC 1134024931 JNMDRUMBURWSLH-SNVBAGLBSA-N 322.365 -0.194 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCCN[C@H](C)C(=O)NC(=O)NC 1134062114 SAVQOACXOHLFOP-MXWKQRLJSA-N 312.370 -0.873 30 20 DBED C#CCN[C@@H](C)C[C@@H](C)NC(=O)CN1C(=O)NC(=O)C1(C)C 1135881919 DXIUHRJCCBOINB-WDEREUQCSA-N 308.382 -0.177 30 20 DBED Cc1nc2ccc(C(=O)NCCNCC(=O)NCC#N)cc2[nH]1 1135892288 DICZDLYOAJFDEH-UHFFFAOYSA-N 314.349 -0.170 30 20 DBED N#CCNC(=O)CN1CCC2(C1)CN(C(=O)C[C@@H]1CCCO1)C2 1147039505 AMWZHXGMDKDBDP-ZDUSSCGKSA-N 320.393 -0.270 30 20 DBED COCC#CCNCCNC(=O)c1c[nH]nc1-c1cnn(C)c1 1147368570 BUWOKUOZYMJJHJ-UHFFFAOYSA-N 316.365 -0.221 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)Cc1cnoc1)C2 1148117548 VXCOJAUDSOBASS-UHFFFAOYSA-N 316.361 -0.499 30 20 DBED N#CCN1CCCO[C@@H](CNC(=O)CCN2CCOCC2)C1 1150453072 NGMKSCNEJBZSCR-AWEZNQCLSA-N 310.398 -0.561 30 20 DBED CC[C@@H](C)C(=O)NCC(=O)NC[C@@H]1CN(CC#N)CCCO1 1150732180 ZDPSPNYSWJGUBU-CHWSQXEVSA-N 310.398 -0.121 30 20 DBED C#CCOCCC(=O)NC[C@@H](C)N(CC)Cc1nc(=O)n(C)[nH]1 1153302859 UVIGXIJJYNRLSP-GFCCVEGCSA-N 323.397 -0.525 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)[C@@H]1CCC(=O)NC1 1154120011 UQCHFXIOPUBLCM-CHWSQXEVSA-N 322.409 -0.911 30 20 DBED C=CCOCCNCCCNC(=O)[C@H]1CCS(=O)(=O)C1 1162050598 WJJPUYHUUJYAQB-LBPRGKRZSA-N 304.412 -0.280 30 20 DBED C=C1CC(C)(C(=O)NCCCNCCNS(C)(=O)=O)C1 1166245968 XOAZRSAAMJCDHW-UHFFFAOYSA-N 303.428 -0.012 30 20 DBED CC#CCNCC1(CCNC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 1167345129 IZUIQSRFNITWSX-NSHDSACASA-N 306.366 -0.516 30 20 DBED C#CCCNCC1(CCNC(=O)c2cn(CC(N)=O)nn2)CC1 1168320598 FPFCKWANEKRUEO-UHFFFAOYSA-N 318.381 -0.724 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)[C@H]1CCCC(=O)N1C 1174936113 WPELYEPOVPNKJK-CHWSQXEVSA-N 322.409 -0.769 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)COCC=C)[C@H]1C 1178332587 WIDLNQUUZUVDTB-RDBSUJKOSA-N 307.394 -0.094 30 20 DBED C=CCCC(=O)N1CC[C@@H](NCc2cc(=O)n(C)c(=O)n2C)C1 1181542924 HIFFVOBPHZQJMX-GFCCVEGCSA-N 320.393 -0.259 30 20 DBED O=C(CN[C@@H]1CCN(C(=O)C#CC2CC2)C1)NC(=O)NC1CC1 1182389658 UUTSTAYSEPYQSB-CYBMUJFWSA-N 318.377 -0.422 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H](OC)C2CCC2)C1 1184652778 AKSGLRXPJKJYLG-HIFRSBDPSA-N 307.394 -0.259 30 20 DBED C#CCNC[C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)C[C@H]1C 1185326179 FGHDYNCSPMUKLG-NEPJUHHUSA-N 306.366 -0.754 30 20 DBED C=CCOCCN1C[C@@H]2CCN(C(=O)CCNC(N)=O)[C@@H]2C1 1190101277 URIPPLXQVFBRFA-QWHCGFSZSA-N 310.398 -0.220 30 20 DBED Cc1nc(CN2C[C@@H](O)[C@H](NC(=O)CSCC#N)C2)n[nH]1 1191162322 QJUNEMPTVBHDMA-NXEZZACHSA-N 310.383 -0.969 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)c2ncccc2C)C1 1192079103 USJDSCMNOWLFJW-ZIAGYGMSSA-N 303.362 -0.185 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(C[C@H]2CCc3ncnn32)C[C@H]1O 1192509593 APLZFDCIENWOCW-MGPQQGTHSA-N 317.393 -0.270 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCCN(C(=O)c2cn[nH]c2)CC1 1194945327 KACZILHNHNZFFJ-GFCCVEGCSA-N 303.366 -0.305 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)Cc2cnn(C)c2)CC1 1195199714 CSYJJEFEBQBRDS-UHFFFAOYSA-N 319.409 -0.201 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@@H]3C[C@@H]3C2)C1 1195517608 CKCIUDYIBHRNIR-BBZRCZKMSA-N 319.405 -0.668 30 20 DBED C#CCO[C@H](C)C(=O)N1CCCN([C@@H]2CCCNC2=O)CC1 1195791567 FGFUKSRKYHVLSR-ZIAGYGMSSA-N 307.394 -0.162 30 20 DBED C[C@@H]1CCN(CC(=O)N2CCCN(CC(=O)NCC#N)CC2)C1 1197150123 LQLFMKFRXAZQQJ-CQSZACIVSA-N 321.425 -0.498 30 20 DBED C[C@@H](C(=O)N1CCCO[C@@H](CNCC#N)C1)N1C(=O)CCC1=O 1200634832 MLHYZQXMCJFPDN-RYUDHWBXSA-N 322.365 -0.745 30 20 DBED CC#CCNC[C@H]1CN(C(=O)c2cc(C(N)=O)c[nH]2)CCCO1 1201718944 FSSDTDPSYLRCME-ZDUSSCGKSA-N 318.377 -0.042 30 20 DBED CC#CCNC1CCN(C(=O)[C@H]2CN(C(C)=O)CCO2)CC1 1203545500 ZAIODICLMYWVPX-OAHLLOKOSA-N 307.394 -0.162 30 20 DBED CNC(=O)NC(=O)CNCC1CCN(C(=O)C#CC2CC2)CC1 1205211306 PPYKFSOXIWMKNS-UHFFFAOYSA-N 320.393 -0.316 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2cnsn2)[C@H](C)C1 1206230722 OGSQDKCNDPBXHP-MWLCHTKSSA-N 307.379 -0.662 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)c2ccnn2C)[C@H](C)C1 1206447023 DRQFDOTVSRCXNH-JHJVBQTASA-N 317.393 -0.392 30 20 DBED C=CCOCCN[C@@H]1CCCN(C(=O)CN2C(=O)CNC2=O)C1 1210975442 OMPLJGLVBXAPFF-GFCCVEGCSA-N 324.381 -0.679 30 20 DBED CC/C(C)=C/C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1OC 1212221587 YLOOMHKTIYJIDC-PGJRDNSLSA-N 308.382 -0.202 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2nc(C)no2)C[C@H]1OC 1212260798 JQGYFQFFRXGFRS-CHWSQXEVSA-N 322.365 -0.267 30 20 DBED C#CCCN1C[C@@H](NC(=O)[C@@H](OC)c2cnn(C)c2)[C@H](OC)C1 1213228031 JHBAPUDFGWKWSO-KFWWJZLASA-N 320.393 -0.054 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)Cc2ccon2)C[C@H]1C 1214372903 GJUFATBSMIDPQN-DGCLKSJQSA-N 304.350 -0.597 30 20 DBED CC#CCN[C@@H]1CN(C(=O)[C@H](CCC(N)=O)NC(C)=O)C[C@H]1C 1215944271 DZZNFBYTHKGEAS-KWCYVHTRSA-N 322.409 -0.784 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)C(CC)CC)C1 1219228433 OCZLUGICBYRNNI-BNOWGMLFSA-N 309.410 -0.278 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)C2(CCC)CC2)C1 1220303455 OJUNOGRWMXCCIQ-MJBXVCDLSA-N 321.421 -0.134 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)c2cn(C(C)C)nn2)C1 1220637422 DSVQGGPWQWDKAX-OCCSQVGLSA-N 321.381 -0.716 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN([C@H]2CCCNC2=O)C[C@@H]1O 1221139645 HSMKGMHTEPUVOW-AGIUHOORSA-N 311.382 -0.981 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2cnsn2)C[C@@H]1O 1221143685 MZJHDCQTIKAMLX-JLLWLGSASA-N 312.395 -0.210 30 20 DBED C=CCN1CCC(CNC(=O)CNC(=O)CNC(C)=O)CC1 1223638079 CXIQMIKTZKDIOL-UHFFFAOYSA-N 310.398 -0.747 30 20 DBED C#CCCN1CCC(CNC(=O)C[C@@H]2CC(=O)NC2=O)CC1 1225703426 UPVMDMVKLHWVLN-CYBMUJFWSA-N 305.378 -0.109 30 20 DBED C=CCN(CC=C)C(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C(N)=O 1228296102 QUKVEURABNKYHM-CHWSQXEVSA-N 322.409 -0.311 30 20 DBED CCN(CCC#N)C(=O)CN1CC[C@@H]1CN(C)C(=O)COC 1230539006 PPGAQLCOGYPIGX-CYBMUJFWSA-N 310.398 -0.072 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)CCCNC(=O)c1cnc(C)[nH]1 1235805188 IFNKDFFXCWSUGR-LLVKDONJSA-N 305.382 -0.092 30 20 DBED C#CCCCNC(=O)C(=O)N[C@H]1CCN(C2CCOCC2)C1=O 1261927974 WMFVBVUZHZJHJT-ZDUSSCGKSA-N 321.377 -0.588 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(CC(N)=O)cc2)CCO1 1318333417 RMPWKGRTLNTKSK-LBPRGKRZSA-N 316.317 -0.596 30 20 DBED C=CCNC(=O)C[S@@](=O)Cc1nnnn1CC(F)(F)F 1321861856 XYHFQZCKKULXBB-FQEVSTJZSA-N 311.289 -0.214 30 20 DBED C=C(C)COCCNC(=O)C(=O)N(C)CCN1CCOCC1 1323604179 SWUFQRFVERLDSY-UHFFFAOYSA-N 313.398 -0.514 30 20 DBED C=CCN(C(=O)C(=O)N1C[C@@H](O)C[C@@H](C(=O)OC)C1)C1CC1 1326263033 CRIIXHAXGAXXFP-PWSUYJOCSA-N 310.350 -0.454 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@]3(CN)C2)CCO1 1327413566 UXVABRFCQLVZEO-ZOWXZIJZSA-N 306.366 -0.675 30 20 DBED C#CCOCCNC(=O)C(=O)NC[C@H]1COC2(CCCCC2)O1 1328984756 BTZPCTAUARISIJ-ZDUSSCGKSA-N 324.377 -0.056 30 20 DBED C=C(C)COCCNC(=O)C(=O)N1CC[C@@H]2NC(=O)CC[C@@H]2C1 1329030548 ABSKBDFEVQMINS-OLZOCXBDSA-N 323.393 -0.178 30 20 DBED O=C(C[C@H]1CCCS(=O)(=O)C1)N[C@H]1CCCN(O)C1=O 1332910206 ZFEUTYWPPFWAAV-ZJUUUORDSA-N 304.368 -0.302 30 20 DBED N#CC[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCS(=O)(=O)C2)C1 1334823634 ZKTIYSDHVFGSRF-WDEREUQCSA-N 313.379 -0.558 30 20 DBED C=CCn1c([C@H](C)O)nnc1N1CCN(CC(=O)NCC)CC1 1338807105 MTKPDROBTXWXHJ-LBPRGKRZSA-N 322.413 -0.225 30 20 DBED C=CCn1c(CCOCC)nnc1N1CCO[C@@H](C(=O)NC)C1 1339542625 WJDNYHMXGJDUIS-GFCCVEGCSA-N 323.397 -0.006 30 20 DBED C=CCCN(C)C(=O)C(=O)NC1CCN(CC(=O)N(C)C)CC1 1346199867 CTGKGOONZZVHCD-UHFFFAOYSA-N 324.425 -0.310 30 20 DBED Cc1nc(O)nc(O)c1CCC(=O)N[C@H]1CCCN(O)C1=O 1346477767 OLWJZNXMHFBDBH-VIFPVBQESA-N 310.310 -0.375 30 20 DBED N#Cc1ccc2c(c1)CC[C@H]2NC(=O)C(=O)N1CCNC(=O)C1 1346782248 AAMRZNNSCFNPFO-CYBMUJFWSA-N 312.329 -0.380 30 20 DBED C#CCOCCN(C)C(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 1348891652 PCWVWOVBJCTFAA-UHFFFAOYSA-N 301.302 -0.062 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N[C@H]1C[C@H](C(=O)OC)C1 1350960215 DZDFFOLYNLVKLQ-HAQNSBGRSA-N 310.350 -0.448 30 20 DBED C#CCNC(=O)CN1CCN(c2nnnn2CCCC)CC1 1354294337 SULFYCOXWQMRLG-UHFFFAOYSA-N 305.386 -0.655 30 20 DBED Cc1nnc(C(=O)NCCn2cc(C#N)c(O)nc2=O)s1 1362691397 VXLAOKUXQHTSKA-UHFFFAOYSA-N 306.307 -0.590 30 20 DBED COc1cc(C#N)ccc1OCC(=O)N1C[C@@H](O)[C@H](CO)C1 1363247550 LZVDGPLBCGHBOF-NWDGAFQWSA-N 306.318 -0.243 30 20 DBED CSc1nc(O)c(C(=O)N2C[C@H](O)[C@@H](CO)C2)cc1C#N 1363249370 QAOZRDOAOIHMPB-SCZZXKLOSA-N 309.347 -0.194 30 20 DBED N#Cc1ccc([C@H](O)CN2C[C@@H](C(N)=O)[C@@H](C(N)=O)C2)cc1 1364470600 XLGIELDCPMEITI-FRRDWIJNSA-N 302.334 -0.890 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N1CC[C@@H](C(=O)N(C)C)C1 1365418781 OLPMVPQTZVLVMC-GHMZBOCLSA-N 302.400 -0.267 30 20 DBED CC(C)NC(=O)NC(=O)[C@@H](C)N1CC(CNC(=O)[C@@H](C)C#N)C1 1377959529 HQLZWAXEPCCHLV-WDEREUQCSA-N 323.397 -0.183 30 20 DBED N#Cc1cn(CCC(=O)N[C@@H]2CCO[C@H]2C2CC2)c(=O)nc1O 1413541406 ZDKPEYMDPBMJPH-YPMHNXCESA-N 318.333 -0.106 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](NC(=O)Cn1ncnn1)C1CCCC1 1434133705 NSSSPWAXQHHZNP-CMPLNLGQSA-N 319.369 -0.376 30 20 DBED Cn1cc(C#N)c(NC(=O)N2CCC(C(=O)NCCO)CC2)n1 1434705642 FZXCSZVDVUPFIC-UHFFFAOYSA-N 320.353 -0.356 30 20 DBED CCS(=O)(=O)CC(=O)NC[C@@H](NC(=O)[C@@H](C)C#N)C1CC1 1447186874 VDABJCWRKBLFRS-GXSJLCMTSA-N 315.395 -0.408 30 20 DBED C[C@@H]1CCOCCN1C(=O)CCn1cc(C#N)c(O)nc1=O 1472247763 GGOUZUZPZNOYDR-SNVBAGLBSA-N 306.322 -0.152 30 20 DBED CCN(CCNC(=O)[C@@H](C)C#N)C(=O)[C@@H](C)CS(C)(=O)=O 1496938858 QNUGMLMOEJRXII-QWRGUYRKSA-N 317.411 -0.209 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 1523020907 WWYRHTOLCWKWMV-LLVKDONJSA-N 303.322 -0.647 30 20 DBED COC(=O)NCC(=O)N1CC[C@H](CN(C)C(=O)[C@@H](C)C#N)C1 1530136178 PZZWWJWGOIOLKW-WDEREUQCSA-N 310.354 -0.191 30 20 DBED N#Cc1ncc(NCC[C@]2(O)CCCOC2)nc1-c1nn[nH]n1 1570917598 BFZNTGNIZMOWNI-CYBMUJFWSA-N 316.325 -0.128 30 20 DBED CC(C)[C@@H]1C(=O)NCCN1c1cnc(-c2nn[nH]n2)c(C#N)n1 1574089226 DXJMYMKECWTEGO-LLVKDONJSA-N 313.325 -0.511 30 20 DBED C[C@@H](CN(C)CCCN(C)C)NC(=O)N[C@H]1CNC[C@@H]1C#N 1579397281 PJLHPBUJDITNFW-IHRRRGAJSA-N 310.446 -0.331 30 20 DBED CO[C@@H](CNc1cnc(C#N)c(-c2nn[nH]n2)n1)[C@@H]1CCOC1 1579593623 CCRMVQRFIAYYBX-SCZZXKLOSA-N 316.325 -0.008 30 20 DBED Cc1nc(-c2nn[nH]n2)c(C#N)n1CC(=O)N1CCO[C@@H](C)C1 1592335129 LOADUCHXEIVELT-QMMMGPOBSA-N 316.325 -0.509 30 20 DBED CN(C(=O)[C@H]1C[C@H]1C(=O)O)C1CN(C(=O)CSCC#N)C1 1597998214 IXVIYTDSOHGGJB-VHSXEESVSA-N 311.363 -0.367 30 20 DBED CN(CCC#N)S(=O)(=O)N[C@H](CCC1OCCO1)C(=O)O 1598468844 LZLIUYMFNAFGBT-SECBINFHSA-N 321.355 -0.727 30 20 DBED N#CCNC(=O)CNS(=O)(=O)[C@H]1CCCC[C@@H]1C(=O)O 1601074647 KOISFNGHFZJJTK-IUCAKERBSA-N 303.340 -0.811 30 20 DBED N#Cc1cc(F)cc(S(=O)(=O)N2CC[C@@](O)(C(=O)O)C2)c1 1601089858 VYBBSTVAJXEHFP-LBPRGKRZSA-N 314.294 -0.093 30 20 DBED C=CCOC[C@H](NC(=O)C1(C(=O)O)CCOCC1)C(=O)OC 1602723005 HJGFIUXGNUDKGW-JTQLQIEISA-N 315.322 -0.272 30 20 DBED C[C@H](C(=O)O)N(C(=O)Cn1cc(C#N)c(O)nc1=O)C1CC1 1602813958 BXJNNFWFQHTGLR-SSDOTTSWSA-N 306.278 -0.715 30 20 DBED CO[C@](C)(C(=O)O)C(=O)NS(=O)(=O)c1ccccc1C#N 1604463269 DHIQNOSXVOAUHU-LBPRGKRZSA-N 312.303 -0.147 30 20 DBED COC[C@@]1(C(=O)O)CCCN1S(=O)(=O)N(C)C[C@@H](C)C#N 1606834022 GLLNGWSRKZOSOM-CMPLNLGQSA-N 319.383 -0.112 30 20 DBED N#Cc1cn(CC(=O)N[C@@H](CC(=O)O)C2CC2)c(=O)nc1O 1608223524 XOZWEFFENDNRKR-VIFPVBQESA-N 306.278 -0.810 30 20 DBED C=CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)cc1 1609053899 UGLDHYRKSKQGJO-NSHDSACASA-N 316.321 -0.142 30 20 DBED Cn1cc(-c2nn[nH]n2)c(=O)n(Cc2ccc(C#N)cc2)c1=O 1609477358 QWPVGRNBXIWERR-UHFFFAOYSA-N 309.289 -0.353 30 20 DBED C=C1CCC(C(=O)NC[C@@H](O)CNC[C@H](O)COC)CC1 1715603295 JOBSKISLKHTWJO-KBPBESRZSA-N 300.399 -0.193 30 20 DBED C#CCNC(=O)CN(C)CCCNC(=O)c1[nH]cnc1CC 1752105372 BCDAINZLILSKMK-UHFFFAOYSA-N 305.382 -0.227 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)C(C)(C)N2CCCC2)C1 1752394427 OXLAFBDOGWXQND-AWEZNQCLSA-N 320.437 -0.199 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)CCNC(=O)c1cnn2c1CCC2 1753053814 VBLGCJTZZHAVHQ-GFCCVEGCSA-N 317.393 -0.371 30 20 DBED C#CCNC(=O)CN(CC)CCNC(=O)c1ncccc1O 1753080718 GGEGSSBOVNCDMB-UHFFFAOYSA-N 304.350 -0.412 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)CC(=O)NCC 1753419887 IIJIBOKBUWCVPC-AVGNSLFASA-N 322.409 -0.512 30 20 DBED N#CCNC(=O)CN1C[C@@H]2C[C@H]1CN2C(=O)C1(F)CCOCC1 1753421254 CEMKIIFFYNDHKZ-RYUDHWBXSA-N 324.356 -0.570 30 20 DBED C#CCNC(=O)CNC[C@@H](O)CNC(=O)Cc1ccc(F)cc1 1753936340 UUAYRFUXVGEVCK-CQSZACIVSA-N 321.352 -0.816 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@@H](C)NC(=O)c1cn(CCC)nn1 1754247118 KHLNZDVTYOVTGT-VXGBXAGGSA-N 320.397 -0.466 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCO[C@H](CNCc2ncnn2C)C1 1754999055 AMDAYCBUOOVLNY-IUODEOHRSA-N 323.397 -0.541 30 20 DBED COCC#CCN[C@]1(CO)CCCN(C(=O)c2cnsn2)C1 1755081380 IOEMTIQGYVUALY-CQSZACIVSA-N 324.406 -0.255 30 20 DBED CCN(CC#N)CC1CCN(C(=O)CN2C(=O)CNC2=O)CC1 1755185097 VPCJOIAYHUFOLP-UHFFFAOYSA-N 321.381 -0.378 30 20 DBED C#CCNC(=O)CN[C@H](C)[C@H](C)NC(=O)c1c[nH]nc1CC 1755242049 KPYXQTMTWFJRQV-MNOVXSKESA-N 305.382 -0.182 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H](NC(=O)CNC(C)=O)C(C)(C)C1 1755402864 BZAOVONABCRPAB-YPMHNXCESA-N 324.425 -0.360 30 20 DBED C=CCCCN[C@H](C)[C@@H]1CN(C(=O)c2nnn(C)n2)CCO1 1755446938 YTMYEMPXRMQFCV-NEPJUHHUSA-N 308.386 -0.005 30 20 DBED C=CCCC(=O)N[C@H](C)C1CN(C(=O)c2nnc(O)nc2O)C1 1756129982 JNXMKOCBSWPZPZ-MRVPVSSYSA-N 321.337 -0.174 30 20 DBED COCC(=O)NC[C@H]1CN(C(=O)CSCC#N)CCCO1 1756837534 DIDGNPQADUNYCK-NSHDSACASA-N 315.395 -0.377 30 20 DBED Cc1cc(C(=O)N[C@@H]2CN(C(=O)C#CC(C)C)C[C@H]2O)n[nH]1 1756981661 LYQGXOKPASKNEH-CHWSQXEVSA-N 304.350 -0.321 30 20 DBED C#CCCC(=O)N1CCO[C@@]2(CCN(C(=O)COCCO)C2)C1 1781320958 WMQDQSMYECHRFM-MRXNPFEDSA-N 324.377 -0.761 30 20 DBED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cn(C)cn3)C[C@@H]21 1790790814 KRPGZSNFCKQPAX-OBJOEFQTSA-N 316.361 -0.353 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)CC(=O)NC)C1 1841560455 UMVXORIVLIDMGD-LBPRGKRZSA-N 323.393 -0.083 30 20 DBED Cc1oncc1C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1842488397 NBBPFGURBNUWPT-UHFFFAOYSA-N 317.301 -0.112 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CNC(C)=O 1847804271 GNZOBNUNZDUDAM-UBHSHLNASA-N 321.377 -0.637 30 20 DBED C=CCN(CC=C)C(=O)CN1CCN(S(N)(=O)=O)CC1 73714084 BWJSUYHJYBOBJF-UHFFFAOYSA-N 302.400 -0.992 30 20 DBED C=CCN(C)CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 121395256 KDOKPIZJTYOKSH-ZDUSSCGKSA-N 315.439 -0.565 30 20 DBED CCN(CC#N)C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C 124164120 RWNMRAMBMHGLET-UHFFFAOYSA-N 301.306 -0.382 30 20 DBED CCOc1ccc(C#N)cc1NC(=O)C(=O)N(C)C[C@H](O)CO 275867398 JIHIKLJOEVPWFI-NSHDSACASA-N 321.333 -0.293 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)CC2OCCCO2)CC1 276641051 UZMRESBQGKJASO-UHFFFAOYSA-N 323.393 -0.577 30 20 DBED C=CCn1c(S(=O)(=O)[C@@H](C)C(=O)N(CC)CC)n[nH]c1=O 278507190 DOFSMOZYKJGETL-VIFPVBQESA-N 316.383 -0.212 30 20 DBED C[C@H]1OCCN(S(=O)(=O)c2cccc(C#N)c2)[C@@H]1C(N)=O 284717444 LCWWBGKPGBZNPX-SKDRFNHKSA-N 309.347 -0.178 30 20 DBED CCN1CCN(C/C(O)=N/Cc2nc(N(C)C)no2)C(=O)C1=O 329505539 LIIPJQYTFLBKPD-UHFFFAOYSA-N 324.341 -0.717 30 20 DBED CC[C@H](O)CN1CCN(S(=O)(=O)N(C)[C@@H](C)CC#N)CC1 330434662 YCDWZOWAXGKISW-STQMWFEESA-N 318.443 -0.146 30 20 DBED CCS(=O)(=O)N(C)CC(=O)NCC1CCN(CC#N)CC1 330930648 QEGCUSQNKJAZDM-UHFFFAOYSA-N 316.427 -0.380 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CC[C@H](S(N)(=O)=O)C1 336935069 FCPGIJIJMHNKRX-UWVGGRQHSA-N 324.428 -0.924 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N(CC)[C@H]1CCNC1=O 337186461 DEHPEQDZFNTKGR-QWRGUYRKSA-N 302.400 -0.077 30 20 DBED COCCN1CC[C@@H](NS(=O)(=O)N(C)[C@H](C)CC#N)C1 337789090 ZUFHAMQKOYSCMN-VXGBXAGGSA-N 304.416 -0.225 30 20 DBED N#CCNC(=O)CNC(=O)CCCNC(=O)[C@@H]1CC=CCC1 344146926 FMDPVPMCILNPLD-GFCCVEGCSA-N 306.366 -0.005 30 20 DBED N#CCNC(=O)CNC(=O)[C@@H]1CCN(c2ccc(F)cc2)C1=O 344170986 CWIDRMARWHTHTN-LBPRGKRZSA-N 318.308 -0.065 30 20 DBED COC(=O)CN(CC#N)C(=O)CC1(CS(C)(=O)=O)CC1 352445896 TZUVDITYMHVJOD-UHFFFAOYSA-N 302.352 -0.274 30 20 DBED N#C[C@H]1COCCN1C(=O)CNS(=O)(=O)c1ccccc1 354681410 UESPAKOGVJHKPK-NSHDSACASA-N 309.347 -0.284 30 20 DBED C=C[C@@H](CO)NC(=O)C(=O)Nc1cccc(-n2ccnn2)c1 354686359 ZRJWJXQZXZHELQ-JTQLQIEISA-N 301.306 -0.131 30 20 DBED C=CCCn1cc(C(=O)N2CCN(S(C)(=O)=O)CC2)nn1 424557436 IIMYMBVTBQMLSL-UHFFFAOYSA-N 313.383 -0.428 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](CCN)C(F)F)C1=O 563961024 ZABSLEKDZQHSJJ-ZETCQYMHSA-N 318.280 -0.938 30 20 DBED COCCN(CCC#N)S(=O)(=O)NC[C@H](CC(=O)O)OC 575063537 YXSQIJJCCHEFRP-JTQLQIEISA-N 323.371 -0.827 30 20 DBED N#CCN1CCN(C(=O)CNS(=O)(=O)c2cccnc2)CC1 597274048 LLRYNBSXXOFBFN-UHFFFAOYSA-N 323.378 -0.972 30 20 DBED C=CCNC(=O)CNc1ncnc(N2CCOCC2)c1[N+](=O)[O-] 598615386 XUDUCOZSAGMQQZ-UHFFFAOYSA-N 322.325 -0.065 30 20 DBED CC(C)(O)[C@@H]1CCCN1C(=O)C(=O)N1CCN(CCC#N)CC1 601460672 XYPZDWCOCWSABD-ZDUSSCGKSA-N 322.409 -0.194 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(Cc2cc(OC)no2)c1=O 629106016 CSTPTCOAOLPKNG-UHFFFAOYSA-N 320.305 -0.411 30 20 DBED CC#CC[C@H](CO)NC(=O)CN(C)C(=O)[C@H](C)n1cccn1 649189427 FJRGKCXNDNFHSH-QWHCGFSZSA-N 306.366 -0.207 30 20 DBED C=CC(C)(C)CNC(=O)N1CCN(S(=O)(=O)NC)CC1 665023473 GPAXHMBCPZWSDN-UHFFFAOYSA-N 304.416 -0.010 30 20 DBED C#CCCCS(=O)(=O)N1CCO[C@@](COC)(C(=O)O)C1 710582207 YWKMBSOGHLTYPB-LBPRGKRZSA-N 305.352 -0.468 30 20 DBED COC[C@H](C)NC(=O)NC(=O)COC(=O)c1ccc(C#N)cn1 730892254 KCEITXQZVHTWIC-VIFPVBQESA-N 320.305 -0.029 30 20 DBED N#CC1(NC(=O)Cn2cnnc2-c2nn[nH]n2)CCCCC1 737679192 NUXFOHCAANYEQB-UHFFFAOYSA-N 301.314 -0.199 30 20 DBED N#Cc1cnn2c(O)cc(COC(=O)[C@H]3COCCO3)nc12 782794098 YQUQQONKOWKCAA-SNVBAGLBSA-N 304.262 -0.235 30 20 DBED C#CCC[C@H](O)CNS(=O)(=O)N1CCC[C@@H]1C(=O)OCC 798486609 SMBHVONDEGUNIG-NWDGAFQWSA-N 318.395 -0.377 30 20 DBED CS(=O)(=O)CC1(CC(=O)N[C@H]2CCCN(O)C2=O)CC1 816759791 VAQBSMFCWBDNGD-VIFPVBQESA-N 304.368 -0.302 30 20 DBED C#C[C@H](NC(=O)N[C@@H]1CCc2nnnn2CC1)[C@H]1CCCO1 817781641 UAKZEGJILHBODE-GRYCIOLGSA-N 304.354 -0.142 30 20 DBED C#CCN1CCN(C(=O)CN(C[C@H](C)C(=O)O)C2CC2)CC1 825620035 SIMDCWDJTBVKLT-ZDUSSCGKSA-N 307.394 -0.051 30 20 DBED C#CCO[C@@H](C)C(=O)NCC#CCNC(=O)[C@H](C)OCC#C 828183932 OOBYPKMNIMCDOS-KBPBESRZSA-N 304.346 -0.701 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)CSC(C)C)CC1 831556850 WILRFZKNXIXPIU-UHFFFAOYSA-N 319.452 -0.260 30 20 DBED N#C[C@@H]1CNC[C@@H]1NC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 834517088 PYNSXJURVFFFOL-HLTSFMKQSA-N 304.272 -0.375 30 20 DBED CC(C)CN1C[C@@H](C(=O)NS(=O)(=O)CCC#N)CC1=O 835411407 MBWYXHVMLGAYQP-JTQLQIEISA-N 301.368 -0.149 30 20 DBED C/N=C(/NCCN1CCOCC1)NCCN1CCOC[C@@H]1C 849003571 SOCOLOAWLZIFJZ-AWEZNQCLSA-N 313.446 -0.796 30 20 DBED CNC(=O)[C@@H](O)CNS(=O)(=O)Cc1ccc(F)cc1C#N 849390149 KQHJTRIHIPSMKI-NSHDSACASA-N 315.326 -0.776 30 20 DBED C[C@@H](Nc1c(C#N)c(=O)n(C)c(=O)n1C)[C@H]1CN(C)CCN1C 895249324 RDGBDWCFLBLJHW-ZYHUDNBSSA-N 320.397 -0.998 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)/C=C(\C)Cl)CC1 913788855 PESFJMUSFMKWQN-MDZDMXLPSA-N 305.787 -0.259 30 20 DBED C#CC[C@H]1NC(=O)N(C2CCN(CCC(=O)N(C)C)CC2)C1=O 927498088 VRGGBCSDKZSAFJ-CYBMUJFWSA-N 320.393 -0.127 30 20 DBED C#CC1(O)CN([C@@H](C)C(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)C1 934441797 USLYEYLZLAAMLF-NWDGAFQWSA-N 314.407 -0.910 30 20 DBED Cc1c(C(=O)N2CCCN(C(=O)[C@@H](C)C#N)CC2)nnn1C 940586592 CDIMMUFPPBDOSD-JTQLQIEISA-N 304.354 -0.042 30 20 DBED O=C(N[C@@H]1CCN(C(=O)C#CC2CC2)C1)c1cnnc(O)c1 941031128 OCAKBAAHJIMPOL-GFCCVEGCSA-N 300.318 -0.074 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H]1CNC(=O)c1cc(C(N)=O)c[nH]1 944248652 ICYRBPAWSJCCRW-MWLCHTKSSA-N 317.349 -0.006 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)c2cnsn2)C1 944499031 WUBVIMKNIOUPJE-IUCAKERBSA-N 309.351 -0.345 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@H](CNC(=O)c2cncnc2)C1 944558805 JTZAYDHRJFFAJE-CMPLNLGQSA-N 303.322 -0.407 30 20 DBED O=C(Cn1cnnc1O)N[C@@H]1[C@H]2C[C@H]1N(C(=O)C#CC1CC1)C2 946958392 GVGSRPUNRWKLFR-MISXGVKJSA-N 315.333 -0.887 30 20 DBED O=C(N[C@@H]1[C@H]2C[C@H]1N(C(=O)C#CC1CC1)C2)c1cnnc(O)c1 947333108 QQDHGIMZZZZMJA-YWPYICTPSA-N 312.329 -0.075 30 20 DBED O=C(NC[C@@H]1CCN1C(=O)C#CC1CC1)c1ccc(O)nn1 948849268 DEARFCWKZJVDNP-NSHDSACASA-N 300.318 -0.074 30 20 DBED CC(=O)N1CC(C(=O)NC[C@@H]2CCN2C(=O)C#CC2CC2)C1 949608340 HNFZRBLFNSGJLC-AWEZNQCLSA-N 303.362 -0.405 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(CC)C1CN([C@@H]2CCNC2=O)C1 950533443 FVMLZDSKRGFARH-CABCVRRESA-N 318.421 -0.495 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2CCN2C(=O)c2nc[nH]n2)nc1 951377710 FMDCTGMPMCMTMU-LLVKDONJSA-N 310.317 -0.175 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@]2(CCCN(C(=O)CC(N)=O)C2)C1 952944482 FSFIVFULXRPKMN-XHDPSFHLSA-N 306.366 -0.137 30 20 DBED CO[C@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]c(C#N)c2)C1 958828817 WSNZUYQWDROPSY-ICCXJUOJSA-N 320.349 -0.435 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2CN(C(=O)C(N)=O)C[C@H]2C)cn1 959574405 YGMDLBUQGCFYAE-ZYHUDNBSSA-N 314.345 -0.628 30 20 DBED C#Cc1cncc(C(=O)NC2[C@@H]3CN([C@@H]4CCN(C)C4=O)C[C@@H]23)c1 961723443 RFZNKKWMXISUJX-RBSFLKMASA-N 324.384 -0.046 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)c1ccc(O)nn1 964084546 WASKLHWTLSOKGW-NXEZZACHSA-N 319.321 -0.701 30 20 DBED Cc1cnc(C(=O)NC[C@@H]2COCCN2C(=O)[C@H](C)C#N)cn1 964085165 WNJFQUOIVWRKPU-ZYHUDNBSSA-N 317.349 -0.098 30 20 DBED Cc1nc(C(=O)N2CC[C@@H](NCC#N)C2)nn1-c1nc[nH]n1 969524495 PEGCOTPCNJWXOL-SECBINFHSA-N 301.314 -0.979 30 20 DBED CC1(C)C(=O)NC(=O)N1CC(=O)N1C[C@H]2CC[C@H]1CN2CC#N 971985739 RSYZFZJXJSCFEY-MNOVXSKESA-N 319.365 -0.484 30 20 DBED NC(=O)[C@@H]1CC[C@H]1C(=O)N[C@H]1[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]21 976944673 IOZUYDBBFBYOEP-NTASLKFISA-N 315.373 -0.516 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]1CN(C)C(=O)c1nccnc1N 977485571 ISHOUZHRUXRVKS-UWVGGRQHSA-N 302.338 -0.109 30 20 DBED CC(C)N1CCO[C@H](C(=O)NC[C@H]2[C@@H]3CN(CC#N)C[C@H]23)C1 978642277 ULIBYVSZDYNBPS-XQLPTFJDSA-N 306.410 -0.087 30 20 DBED Cc1ccnc2nc(C(=O)NC[C@H]3[C@@H]4CN(CC#N)C[C@H]34)nn12 979026946 LCNKXCZITOSAAG-CNDDSTCGSA-N 311.349 -0.136 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CC[C@H]3CN(C(=O)C(N)=O)C[C@@H]32)c[nH]1 979938461 QSIOSYZRYJLJLU-KPXOXKRLSA-N 315.333 -0.662 30 20 DBED CSCC(=O)N1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H](O)C1 991385066 LRFUGXVINVFIPY-JQWIXIFHSA-N 322.390 -0.059 30 20 DBED O=C(N[C@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1O)c1cncnc1 991406351 IFEBIXRYIAYFIT-KBPBESRZSA-N 314.345 -0.418 30 20 DBED Cc1cccn(CC(=O)NC2CN(C(=O)[C@@H](C)C#N)C2)c1=O 991508660 WCJUCSDSUZUUFM-NSHDSACASA-N 302.334 -0.357 30 20 DBED C#CCN[C@@H]1CCC[C@@H]2CN(C(=O)C3CC(=O)NC(=O)C3)C[C@H]21 992836645 SRRJGTGZIVKZGG-MRVWCRGKSA-N 317.389 -0.111 30 20 DBED Cc1nn[nH]c1C(=O)NCC1CN(C(=O)c2ccc(C#N)[nH]2)C1 1003532233 PYMOUFRWOMDSHH-UHFFFAOYSA-N 313.321 -0.185 30 20 DBED C=C(C)CN1CCC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 1007368512 IAMPFMFFAIMHGT-LLVKDONJSA-N 306.370 -0.466 30 20 DBED CCn1ncc(C(=O)NC[C@H]2[C@@H]3CN(C(=O)[C@H](C)C#N)C[C@H]23)n1 1009045308 XKBVUNDVXSTNFO-KKOKHZNYSA-N 316.365 -0.108 30 20 DBED C=CCn1cccc1C(=O)N[C@H]1C[C@@H](C)N(C(=O)C(N)=O)C1 1013981561 CPCKZCBRUPPJGR-MNOVXSKESA-N 304.350 -0.121 30 20 DBED C[C@@H](C#N)C(=O)N1CCCO[C@H](CNC(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1019646930 VQJLABBRVNWTBR-MEBFFEOJSA-N 321.377 -0.228 30 20 DBED C=CCN1CC[C@@H](N[C@H]2C[C@@H](NC(=O)[C@@H]3CCNC3=O)C2)C1=O 1022540963 BASQLRQNFZFZEJ-YVECIDJPSA-N 320.393 -0.854 30 20 DBED O=C(C#CC1CC1)N1C[C@@H]2CCN(C(=O)Cc3nc[nH]n3)[C@@H]2C1 1022774180 HHZKIDCTHIKTRQ-QWHCGFSZSA-N 313.361 -0.180 30 20 DBED C=CCn1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)C3CC3)C2)nn1 1022868728 UJIGGOWISVUWJY-ZYHUDNBSSA-N 305.338 -0.824 30 20 DBED C=CCN1CC[C@@H](NC[C@H]2CCCN(C(=O)C(N)=O)C2)C1=O 1024126125 CVXSROVVYWACTD-VXGBXAGGSA-N 308.382 -0.913 30 20 DBED Cn1cc(C(=O)N2C[C@H]3[C@@H](NCC#N)CC[C@H]3C2)c(O)nc1=O 1026418970 MOGJAKOENXEMDP-UMNHJUIQSA-N 317.349 -0.550 30 20 DBED N#CCN1CCC[C@H]1CNC(=O)[C@@H]1Cc2cncn2C(=O)N1 1028043514 QLBSFWQDHJTKQC-JQWIXIFHSA-N 302.338 -0.530 30 20 DBED CC#CCN1CCC[C@@H]1CNC(=O)[C@H]1COCCN1C(C)=O 1028327120 UFJVWDZCESLVPA-HUUCEWRRSA-N 307.394 -0.162 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)[C@H]3CC(=O)N(C)C3)C2)C1=O 1030391220 WBIDRIKBZUOAKW-WCQYABFASA-N 320.393 -0.948 30 20 DBED C#CCCN1CC(NC(=O)c2cccc(OCC(N)=O)c2)C1 1030397083 RHTFLCDABCRRLT-UHFFFAOYSA-N 301.346 -0.012 30 20 DBED C#CCCN1CCO[C@@H](CNC(=O)[C@@H]2CCNC(=O)CC2)C1 1035459176 IRTSNYSZUVIJHX-KBPBESRZSA-N 307.394 -0.257 30 20 DBED CC#CCN1CCO[C@H](CNC(=O)[C@@H]2CCCN2C(N)=O)C1 1035623812 ITEBSGXCFJHRNB-OLZOCXBDSA-N 308.382 -0.630 30 20 DBED COc1c(O)nc(O)nc1C(=O)N1CC[C@@H](NCC#N)[C@@H](C)C1 1036255901 FBXGVVPCALUWHP-DTWKUNHWSA-N 321.337 -0.140 30 20 DBED C#CCN[C@H]1CCN(C(=O)CN2CC(=O)NC2=O)C[C@H]1CC 1037941795 RKGIGAICZNPNJM-NEPJUHHUSA-N 306.366 -0.612 30 20 DBED C#CCCCC(=O)NC[C@@]1(O)CCN(C(=O)CNC(=O)CC)C1 1039572849 COXGLPSNZGGDOY-INIZCTEOSA-N 323.393 -0.604 30 20 DBED CCO[C@H](C)C(=O)N1CC[C@@](O)(CNC(=O)C#CC2CC2)C1 1039676883 BOJDOQLHMNMUQI-MLGOLLRUSA-N 308.378 -0.096 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@]1(O)CCN(C(=O)c2ccon2)C1 1039722490 WUBOIBIWKYUKJA-IAQYHMDHSA-N 321.333 -0.594 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@@](O)(CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 1040932987 MRXKOAWXSPCYLI-OHUAYANFSA-N 323.393 -0.600 30 20 DBED Cc1noc(C)c1C(=O)NCC1(O)CN(C(=O)[C@H](C)C#N)C1 1041417657 RQNKALUPQHKGFD-MRVPVSSYSA-N 306.322 -0.246 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)CCn2cncn2)C1 1041952210 NETHKUJSCSEHBO-UHFFFAOYSA-N 307.354 -0.676 30 20 DBED C[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1NC(=O)[C@@H]1CCC(=O)N1 1042094118 UWRAVRYIBRSXKK-ADEWGFFLSA-N 314.349 -0.432 30 20 DBED Cc1cc(C(=O)NCC2(O)CN(C(=O)[C@@H](C)C#N)C2)ns1 1042815782 CEOUSTJGXSDEOY-QMMMGPOBSA-N 308.363 -0.086 30 20 DBED C#Cc1ccc(C(=O)NCC2(O)CN(C(=O)[C@@H](C)OC)C2)nc1 1044250938 BBCLDWLAFBLVSH-LLVKDONJSA-N 317.345 -0.599 30 20 DBED Cc1n[nH]cc1C(=O)NCC1(O)CN(C(=O)CSCC#N)C1 1044345890 NPBLFTVMQWNWBR-UHFFFAOYSA-N 323.378 -0.722 30 20 DBED C#CCN[C@H]1CCN(C(=O)CN2CCCS2(=O)=O)[C@@H](C)C1 1044622949 LKPXBZDCIALHSF-STQMWFEESA-N 313.423 -0.376 30 20 DBED C[C@H]1C[C@@H](NCC#N)CCN1C(=O)Cn1ccc(=O)n(C)c1=O 1044626747 SXHVQRAROMWYDU-RYUDHWBXSA-N 319.365 -0.960 30 20 DBED C[C@@H](C(=O)N1CC(O)(CNC(=O)[C@H](C)C#N)C1)n1cccn1 1045540979 NXDANYBGFWVWDI-MNOVXSKESA-N 305.338 -0.707 30 20 DBED C[C@@]1(NC(=O)c2cn([C@H]3CCOC3)nn2)CCN(CC#N)C1 1046756713 BLAXNCTUFQUUBI-SMDDNHRTSA-N 304.354 -0.043 30 20 DBED C=CCOCC(=O)N(C)[C@H]1CN(C(=O)Cc2cnc[nH]2)C[C@@H]1O 1048557405 CMDGREHNWGBKJE-STQMWFEESA-N 322.365 -0.815 30 20 DBED C=C[C@](C)(O)CC(=O)N(C)[C@H]1CN(C(=O)c2cnco2)C[C@@H]1O 1048762602 YEDCXDOILKZMFY-PGUXBMHVSA-N 323.349 -0.355 30 20 DBED O=C(C#CC1CC1)N1C[C@@H]2CN(Cc3nc(O)n[nH]3)C[C@@H]2C1 1048809916 BGCAQWXKUIROJI-TXEJJXNPSA-N 301.350 -0.186 30 20 DBED C=C(C)CN1C[C@H]2CN(C(=O)CN3CCNC(=O)C3)C[C@H]2C1 1048977848 NIYGMFXCFYPMRE-OKILXGFUSA-N 306.410 -0.616 30 20 DBED N#CCN1CCOC[C@H]1CNC(=O)c1ccnc2c1CC(=O)N2 1051005326 WZCXCGKVZUNMQQ-SNVBAGLBSA-N 315.333 -0.470 30 20 DBED C=CCOCC(=O)N1C[C@@H](C)[C@@H](CNC(=O)Cn2cnnn2)C1 1052215975 UROZZKVZEJFFEP-NEPJUHHUSA-N 322.369 -0.914 30 20 DBED N#CCN1CCC[C@H](NC(=O)[C@@H]2Cc3cncn3C(=O)N2)CC1 1052584205 OZLTUUOKOGVTSQ-AAEUAGOBSA-N 316.365 -0.140 30 20 DBED CNC(=O)NCC(=O)N1C[C@H](C)[C@H](CNC(=O)C#CC2CC2)C1 1052775059 APEQUDZYDTZZAG-WCQYABFASA-N 320.393 -0.461 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)[C@@H]1CC(=O)N[C@H](C)C1)CCO2 1053321703 OLNNFIIOLTXXFB-KGLIPLIRSA-N 319.405 -0.162 30 20 DBED COCCn1nccc1C(=O)N[C@@H]1COC2(C1)CN(CC#N)C2 1053838417 APSFTNPBBWLGKO-LBPRGKRZSA-N 319.365 -0.374 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)[C@H]3CCc4nncn4C3)CO2)C1 1054016515 DOMGTTNJFVZJCL-NWDGAFQWSA-N 316.365 -0.676 30 20 DBED C=CCCN1CC2(C[C@@H](NC(=O)C[C@H]3CC(=O)NC3=O)CO2)C1 1054026160 RCFUGTSUZBRYSA-NWDGAFQWSA-N 321.377 -0.425 30 20 DBED Cn1nccc1CC(=O)N[C@H]1[C@@H]2CN(c3cncc(C#N)n3)C[C@@H]21 1056173631 PYZNCFAVVULIRZ-VIKVFOODSA-N 323.360 -0.125 30 20 DBED N#Cc1ccc(N2C[C@H]3[C@H](NC(=O)[C@@H]4COC(=O)N4)[C@H]3C2)nc1 1056193951 JAFNPHDWHHDAIX-SRRSOLGSSA-N 313.317 -0.388 30 20 DBED CN(c1ccc(C#N)nn1)[C@@H]1CCN(C(=O)C(C)(C)C(N)=O)C1 1056977053 DUKGVEYCRXFKTM-LLVKDONJSA-N 316.365 -0.103 30 20 DBED C#CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)c1ncoc1C 1057129246 XXKKXTKRFOTAJX-LBPRGKRZSA-N 323.349 -0.428 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)C[C@@H](C)NC(N)=O 1057168342 BOWFPEWOHQUCER-LLVKDONJSA-N 314.386 -0.663 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)[C@H]1C[C@H]1C(=O)OC 1057177116 CVFDUBIBBHXWSY-NWDGAFQWSA-N 312.366 -0.301 30 20 DBED C#CCNC(=O)CC(=O)N(CCO)CCNC(=O)/C=C(/C)CC 1057390583 HKVUHMOUHCWIDD-QBFSEMIESA-N 323.393 -0.581 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)Cc1cncnc1 1057453970 DJKSOVFSSUOHBB-NSHDSACASA-N 305.338 -0.884 30 20 DBED N#Cc1nccc(N2CCC(NC(=O)[C@H]3COC(=O)N3)CC2)n1 1057864983 SMPRKJCFUGLAAL-SNVBAGLBSA-N 316.321 -0.458 30 20 DBED Cc1ccc(C#N)c(N2CC[C@@H](NC(=O)Cn3cnnn3)C2)n1 1058306989 VXVUCGAUFVAEOB-GFCCVEGCSA-N 312.337 -0.357 30 20 DBED N#Cc1cnccc1N1CC[C@@H](NC(=O)CN2CCOCC2)C1 1058324523 MBMOLDYJAZXJMG-CQSZACIVSA-N 315.377 -0.020 30 20 DBED N#Cc1cnc(N[C@@H]2CC[C@H]3CN(C(=O)CC(N)=O)C[C@@H]32)cn1 1060524004 SVLNNMFEAIBWLY-ZMLRMANQSA-N 314.349 -0.127 30 20 DBED C=CCOCC(=O)NC[C@@H]1COCCN1C(=O)c1cncnc1 1061423015 DJZOVJGJHWYDEL-CYBMUJFWSA-N 320.349 -0.364 30 20 DBED Cc1ccnn1CC(=O)NC[C@@H]1COCCN1C(=O)[C@H](C)C#N 1061592060 MMOLZBLHRKFCFV-DGCLKSJQSA-N 319.365 -0.305 30 20 DBED C=CCCOCC(=O)NC[C@H]1COCCN1C(=O)c1ncc[nH]1 1061666900 VNSODIYHJWTYFD-LBPRGKRZSA-N 322.365 -0.040 30 20 DBED Cc1nnsc1C(=O)N1CCOC[C@@H]1CNC(=O)[C@H](C)C#N 1061845476 IEKLOWHENAFJHO-SCZZXKLOSA-N 323.378 -0.037 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)c1cncn1C 1061852658 KZVQNBNDCPDPBA-QWRGUYRKSA-N 305.338 -0.463 30 20 DBED C=C1CC(C)(C(=O)NC[C@@H]2COCCN2C(=O)CC(N)=O)C1 1061883179 NOOVLBHBCSUUBQ-LLVKDONJSA-N 309.366 -0.438 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H]1CN(C(=O)CCOC)CCO1 1064723523 FFBPHDUJGGHZLB-OLZOCXBDSA-N 312.366 -0.595 30 20 DBED Cc1cnc(C(=O)N2CCO[C@@H](CNC(=O)[C@@H](C)C#N)C2)cn1 1064795212 FFLWITIYDMKGNK-JQWIXIFHSA-N 317.349 -0.098 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2nc(C)c[nH]2)CCO1 1065203027 XLBWYRFGQHLQBK-GFCCVEGCSA-N 322.365 -0.122 30 20 DBED COCCOCC(=O)NC[C@H]1CN(C(=O)[C@H](C)C#N)CCO1 1065556311 GLYYHKMWUJEVAR-NEPJUHHUSA-N 313.354 -0.847 30 20 DBED CN(C(=O)[C@@H]1CCOC1)[C@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1065573439 WMXLQWLAILAEGI-WXHSDQCUSA-N 317.349 -0.607 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](CNC(=O)c3cocn3)C2)nn1 1067654184 UGQLLJJPPIXAGY-SKDRFNHKSA-N 314.305 -0.437 30 20 DBED N#Cc1nccc(N2C[C@H](CNC(=O)c3ccc[nH]3)[C@@H](O)C2)n1 1067657114 XFBUVDWMHVISMQ-JQWIXIFHSA-N 312.333 -0.097 30 20 DBED Cn1ncc(C(=O)NCC2[C@@H]3CN(c4nccnc4C#N)C[C@@H]23)n1 1068178309 VCLLUPBPCWJOJJ-QWRGUYRKSA-N 324.348 -0.411 30 20 DBED COC[C@@H](C)C(=O)N1CCOC2(CN(C(=O)[C@H](C)C#N)C2)C1 1068351360 PMQLJOBWAKTSEF-VXGBXAGGSA-N 309.366 -0.132 30 20 DBED C[C@H]1[C@H](Nc2cncc(C#N)n2)CCN1C(=O)c1nnn(C)n1 1068932824 XZLDYBFUWGCZGC-WCBMZHEXSA-N 313.325 -0.413 30 20 DBED C=CCN[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C)C2)C[C@@H]1n1ccnn1 1070204501 AAAQMJWLHGYWOJ-UPJWGTAASA-N 318.381 -0.716 30 20 DBED Cc1nonc1C(=O)NCC1(NC(=O)[C@@H](C)C#N)CCOCC1 1070233668 BNLPDNRTFVFQAY-VIFPVBQESA-N 321.337 -0.067 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)[C@@H]4CCNC4=O)C[C@@]3(C1)O2 1070836086 PFRKEXUJDHURIF-BRXULGCHSA-N 303.362 -0.943 30 20 DBED C#CCN1CC[C@@]2(C1)CN(C(=O)CN1CCCC1=O)C[C@@H](C)O2 1071133520 CEMOQWXBIPWZQK-RHSMWYFYSA-N 319.405 -0.066 30 20 DBED C=CCC1(C(=O)N2C[C@@H](C)[C@@H](NC(=O)C(N)=O)C2)CCOCC1 1072512106 DKRNPQDSUFIMDZ-NEPJUHHUSA-N 323.393 -0.192 30 20 DBED C#CCO[C@H](C)C(=O)N1CCN(C2CN(C(=O)COC)C2)CC1 1073573138 XWGVXTSDNKTMPU-CYBMUJFWSA-N 323.393 -0.974 30 20 DBED C#CCCN1CCCO[C@@H](CNC(=O)[C@@H]2CCCN2C(N)=O)C1 1073908802 WTORTNGJFPWJLM-KBPBESRZSA-N 322.409 -0.240 30 20 DBED CC[C@H](C(=O)NCC1(O)CCN(C(=O)[C@H](C)C#N)CC1)N(C)C 1074705625 VZOMTEKNNYJNLU-CHWSQXEVSA-N 324.425 -0.044 30 20 DBED C[C@@H](CCNC(=O)c1cc(C#N)c[nH]1)NC(=O)[C@H]1CNC(=O)N1 1076074121 NDMVRXSONDFTAZ-GZMMTYOYSA-N 318.337 -0.808 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)c2ccc3c(c2)nnn3C)C1 1077231169 DILQOQNUVULRLW-UKRRQHHQSA-N 313.361 -0.234 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2COCCN2CC2CCC2)C1 1077447529 BRUZNDLSXNQEGT-BZUAXINKSA-N 323.437 -0.165 30 20 DBED C[C@@H](CCNC(=O)c1cnc(O)n(C)c1=O)NC(=O)[C@@H](C)C#N 1077709297 JEADLKCXXBVJJQ-IUCAKERBSA-N 321.337 -0.730 30 20 DBED C=CCN1CC[C@@H](N2C[C@@H](O)[C@H](NC(=O)C(C)(C)C)C2)C1=O 1078053252 BEGUVDHLXUSGCB-JHJVBQTASA-N 309.410 -0.019 30 20 DBED N#CCN[C@@H]1C[C@@H](NC(=O)CN2C(=O)CCC2=O)C12CCC2 1078804375 UYEBEUSOCKKMJA-GHMZBOCLSA-N 304.350 -0.324 30 20 DBED CCN(C(=O)CNC(C)=O)C1CN(C(=O)CSCC#N)C1 1079226475 BYNGNYYTUIKYQO-UHFFFAOYSA-N 312.395 -0.561 30 20 DBED CCN(C(=O)C1(C(N)=O)CC1)C1CN(C(=O)C#CC2CC2)C1 1080397012 UBWQVHHGZDBUQZ-UHFFFAOYSA-N 303.362 -0.275 30 20 DBED C=CCCC(=O)N1CCC(CO)(NC(=O)CNC(C)=O)CC1 1080686879 UXQNIUFMECNERS-UHFFFAOYSA-N 311.382 -0.442 30 20 DBED CC[C@@H](C(=O)NC1(CO)CCN(C(=O)[C@@H](C)C#N)CC1)N(C)C 1080919570 HFSVVEGEISULJA-STQMWFEESA-N 324.425 -0.044 30 20 DBED C=C[C@](C)(CC)C(=O)N1CCC(CO)(NC(=O)C(N)=O)CC1 1080976480 ZJSJFHZLGHLTBE-CQSZACIVSA-N 311.382 -0.456 30 20 DBED C[C@H](C#N)C(=O)NC1(CO)CCN(C(=O)[C@@]23COC[C@@H]2C3)CC1 1080983902 ZNKFPJBCZHTSLK-WQGACYEGSA-N 321.377 -0.348 30 20 DBED C#Cc1ccc(C(=O)N2C[C@H](CNC(=O)C(F)F)[C@@H](O)C2)cn1 1081153463 WWHPYKUVLLEZCA-JQWIXIFHSA-N 323.299 -0.123 30 20 DBED N#CCSCC(=O)NC[C@H]1CN(C(=O)c2ncc[nH]2)C[C@H]1O 1081285719 BTFYNMQKJFIYJC-VHSXEESVSA-N 323.378 -0.784 30 20 DBED N#CCSCC(=O)NC[C@H]1CN(C(=O)c2cc[nH]n2)C[C@@H]1O 1081286318 JXFXPZSFDRHPMR-ONGXEEELSA-N 323.378 -0.784 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C[C@H]1O 1081333088 ONOVDGFTWQGFGX-VVSAWPALSA-N 308.378 -0.220 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)CCn2ccnn2)C[C@H]1O 1081335835 PVOOPEKIGWKHLL-CHWSQXEVSA-N 321.381 -0.430 30 20 DBED C=C1CC(C)(C(=O)N2C[C@@H](O)[C@H](CNC(=O)CC(=O)NC)C2)C1 1081433026 GBYYJRGSWHZGQQ-VXGBXAGGSA-N 323.393 -0.586 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](O)[C@@H](CNC(=O)Cn2nccn2)C1 1081520535 REYHACIOGYONIG-NWDGAFQWSA-N 321.381 -0.574 30 20 DBED CC(C)C#CC(=O)N1C[C@H](CNC(=O)c2cnn[nH]2)[C@@H](O)C1 1081589789 IPFSFZGWVNWCTB-JQWIXIFHSA-N 305.338 -0.987 30 20 DBED CC#CCN1C[C@@H](NC(=O)c2cc(=O)n(C)cn2)[C@H](OC)C1 1081808133 AENQZROVXMJFTK-CHWSQXEVSA-N 304.350 -0.767 30 20 DBED C=CCN1C[C@@H](NC(=O)c2c(C)c[nH]c2CC(N)=O)[C@H](OC)C1 1082156617 RFXFKHQAJVNPSS-CHWSQXEVSA-N 320.393 -0.034 30 20 DBED Cn1ccnc1CCC(=O)N1CCO[C@@H]2CN(CC#N)C[C@@H]21 1083151785 UFXMIEAZPZHNTO-QWHCGFSZSA-N 303.366 -0.212 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CCNC(=O)CC1 1083153520 FGLILDNVZTXNKZ-QLFBSQMISA-N 319.405 -0.162 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCc3nncn3CC2)C1 1083652735 DRSUOKUDINGVDT-MCIONIFRSA-N 317.393 -0.585 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCCN2c2nccs2)C1 1083669279 BZALVCSFNPCZAY-UPJWGTAASA-N 320.418 -0.094 30 20 DBED C#CCN[C@@H]1CCCC[C@H]1NC(=O)Cn1ccc(=O)n(C)c1=O 1085217828 SOZSNCJIQSCWDH-CHWSQXEVSA-N 318.377 -0.803 30 20 DBED C=CCN1CC[C@@H](N2CC[C@@H]2CN(C)C(=O)c2nc[nH]n2)C1=O 1085881471 GHKOMNKMUAMBHX-VXGBXAGGSA-N 318.381 -0.262 30 20 DBED C[C@@H]1CCN(C(=O)[C@H](C)C#N)[C@H](CNCc2nc(=O)n(C)[nH]2)C1 1087135905 DHCHTMMORBYRSE-UTUOFQBUSA-N 320.397 -0.015 30 20 DBED CNC(=O)NCC(=O)N[C@H](C)C[C@H](C)Nc1cncc(C#N)n1 1089498813 JOYMHCNVGFTGGA-VHSXEESVSA-N 319.369 -0.028 30 20 DBED N#CCN1CC[C@H](NC(=O)c2cn(C3CCC3)nn2)[C@H](O)C1 1090274860 WYGZAVBQOUEMMC-WCQYABFASA-N 304.354 -0.308 30 20 DBED Cn1cnc2cncc(C(=O)N[C@@H]3CCN(CC#N)C[C@H]3O)c21 1090334178 OVANOUWLXPLDAE-DGCLKSJQSA-N 314.349 -0.343 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2cccc(C(N)=O)n2)[C@@H](O)C1 1090839355 KZCCJRPNCYZXQU-FZMZJTMJSA-N 316.361 -0.631 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1C[C@H](Nc2ccc3nnnn3n2)C1 1091444294 BJAXZVJGLOVCMN-GUBZILKMSA-N 300.326 -0.014 30 20 DBED COC(=O)NCC(=O)N1CCN(c2cncc(C#N)n2)CC1 1093134026 OOIQTUGSYONXLO-UHFFFAOYSA-N 304.310 -0.647 30 20 DBED N#Cc1ccc(NCCNC(=O)CCn2cnccc2=O)nn1 1093837538 UXUHIRQLBHOWNF-UHFFFAOYSA-N 313.321 -0.477 30 20 DBED COCC(=O)N[C@@H](C)C(=O)NCCNc1ccc(C#N)cn1 1094185071 GQDFSLLITWVOOF-JTQLQIEISA-N 305.338 -0.368 30 20 DBED C#CCN1CC(n2cc(CNC(=O)c3cc(C)no3)nn2)C1 1094274037 DZFIALRBYALPBZ-UHFFFAOYSA-N 300.322 -0.006 30 20 DBED N#Cc1c[nH]ccc1=NCCCNC(=O)C[C@@H]1CCC(=O)N1 1094494306 LEGMUCJERVILIT-LBPRGKRZSA-N 301.350 -0.038 30 20 DBED N#CCN1CC(N2C[C@@H](NC(=O)c3ncccc3O)CC2=O)C1 1094730553 DXSKLVPYMPRGFD-JTQLQIEISA-N 315.333 -0.674 30 20 DBED C[C@@]1(C(=O)NCCCNc2cnc(C#N)cn2)CCC(=O)N1 1094765631 VOZYESCUQORLSW-AWEZNQCLSA-N 302.338 -0.065 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)C[C@H]3CCCOC3)CC2=O)C1 1094818194 YRTFDTXTXKNGMN-KGLIPLIRSA-N 319.405 -0.162 30 20 DBED COCC(=O)N[C@@H](C)C(=O)NCCCNc1cncc(C#N)n1 1094844843 XDXZENPGZMQNTM-JTQLQIEISA-N 320.353 -0.582 30 20 DBED N#Cc1cncc(N[C@@H](CNC(=O)Cn2nccn2)C2CC2)n1 1096736479 NGRJZJGAWKCZMY-LBPRGKRZSA-N 312.337 -0.053 30 20 DBED C[C@H](CNC(=O)[C@H]1CCCS1(=O)=O)N=c1cc[nH]cc1C#N 1097882472 CYMYLJFSHXSCQS-ZWNOBZJWSA-N 322.390 -0.131 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCN(C)C1=O)Nc1ccc(C#N)nn1 1098193216 BOYIMEONXGMGAX-GXSJLCMTSA-N 302.338 -0.257 30 20 DBED C[C@@H](CNC(=O)CN1CCOCC1=O)Nc1ccc(C#N)cn1 1098357161 ZUHIVOSJJCGJQZ-NSHDSACASA-N 317.349 -0.271 30 20 DBED C#CCNCc1cn([C@H]2CCN(C(=O)Cc3nc[nH]n3)C2)nn1 1098763560 ZPYHICYNZXXGKP-LBPRGKRZSA-N 314.353 -0.865 30 20 DBED C[C@@H](CCNC(=O)Cn1cnnc1O)N=c1cc[nH]cc1C#N 1098989961 PJDFMOYNPMOUPQ-JTQLQIEISA-N 315.337 -0.321 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)c2ccccn2)[C@H](O)C1 1099618668 XNXMKWCZLHJJJV-TZMCWYRMSA-N 318.377 -0.451 30 20 DBED C[C@H](CCNC(=O)C1(C(N)=O)CC1)Nc1cncc(C#N)n1 1099658731 WOVYSWJWCMPKEH-SECBINFHSA-N 302.338 -0.080 30 20 DBED Cc1ncnc(O)c1CCC(=O)N[C@@H]1CCN(CC#N)C[C@H]1O 1099903177 BJUOUWBCZMCYHR-CHWSQXEVSA-N 319.365 -0.502 30 20 DBED C=C(Cl)CN1CC[C@H](NC(=O)C2(C(N)=O)CC2)[C@H](O)C1 1099978740 KQEGBKSVJADCNQ-VHSXEESVSA-N 301.774 -0.444 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)C2(CCC)CC2)[C@@H](O)C1 1099992268 WQEZGUMKQBYRJH-KBPBESRZSA-N 321.421 -0.133 30 20 DBED CN(CCNC(=O)Cn1cnnc1O)c1ncccc1C#N 1100030319 QVDRBAUHOWIHTH-UHFFFAOYSA-N 301.310 -0.497 30 20 DBED CN(CCNC(=O)[C@]1(C)CCC(=O)NC1)c1ccc(C#N)nn1 1100286253 OVUUBYALNDUYAQ-OAHLLOKOSA-N 316.365 -0.183 30 20 DBED CCn1ncc(C(=O)NCC2CC(NCC(=O)NCC#N)C2)n1 1100298048 VFXGMDQKSJYOBN-UHFFFAOYSA-N 319.369 -0.964 30 20 DBED CCN(CCNC(=O)[C@@H]1CN(C)CCO1)c1cnc(C#N)cn1 1100495871 JNBWZMDPISHNKY-ZDUSSCGKSA-N 318.381 -0.379 30 20 DBED N#CCNC(=O)CNC1CC(CNC(=O)[C@]2(F)CCOC2)C1 1100609994 XWWHEKDOLJAEJZ-MGULZYLOSA-N 312.345 -0.761 30 20 DBED CCN(CCNC(=O)[C@H]1CCC(=O)NC1)c1ccnc(C#N)n1 1100765382 GFJDYTZVBAXZIP-NSHDSACASA-N 316.365 -0.183 30 20 DBED CCNC(=O)CC(=O)NC[C@@H]1CCCN1c1ccc(C#N)nn1 1100832163 UGJYSAWHXBHNMU-LBPRGKRZSA-N 316.365 -0.041 30 20 DBED Cc1cc(C#N)nc(N2CCC[C@H](CCNC(=O)C(N)=O)C2)n1 1102942608 ZTVOPKQWZZBNMY-LLVKDONJSA-N 316.365 -0.135 30 20 DBED CO[C@H](C)C(=O)NC[C@H]1CN(c2ccnc(C#N)n2)CCO1 1104293245 QIPLWHNZWKEPBM-MNOVXSKESA-N 305.338 -0.295 30 20 DBED C[C@H](CN=c1cc[nH]cc1C#N)N(C)C(=O)Cn1cnnc1O 1104528665 YFCLWYMXPJZWSG-SNVBAGLBSA-N 315.337 -0.369 30 20 DBED C[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)N2)C[C@H]1CCNCC#N 1105023124 OXVZRODBGXEIFE-UTUOFQBUSA-N 314.411 -0.724 30 20 DBED N#CCNCc1cn(C2CN(C(=O)[C@@H]3CCCOC3)C2)nn1 1105187676 BTLIASFQXPCZDT-LLVKDONJSA-N 304.354 -0.299 30 20 DBED COCC1(C(=O)N2CC(n3cc(CNCC#N)nn3)C2)CC1 1105283113 FJYBEULJIMUHSU-UHFFFAOYSA-N 304.354 -0.299 30 20 DBED CN(CCN(C)c1cncc(C#N)n1)C(=O)CCn1cnnn1 1105446590 VAEVEXUSMJRAEB-UHFFFAOYSA-N 315.341 -0.680 30 20 DBED CN(CCN(C)c1cnc(C#N)cn1)C(=O)[C@@H]1CCC(=O)NC1 1105600002 XOVKLZZKLODTKE-LLVKDONJSA-N 316.365 -0.231 30 20 DBED CNC(=O)CCCC(=O)NC[C@H](O)CNc1cnc(C#N)cn1 1105794624 IFYXYXPOBGHVGT-LLVKDONJSA-N 320.353 -0.846 30 20 DBED CCc1nc(C#N)cc(NC[C@H](O)CNC(=O)CC(C)(C)O)n1 1105804270 NBBREHJKANYVQS-NSHDSACASA-N 321.381 -0.039 30 20 DBED CC(C)[C@@H](O)C(=O)NC[C@H](O)CNc1ncc(C#N)cc1F 1105839466 WCQMBCBIJURYDF-ZYHUDNBSSA-N 310.329 -0.002 30 20 DBED CNC(=O)CNC[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C 1105985300 GSQMQEYASCAJQG-ZYHUDNBSSA-N 303.366 -0.070 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H](O)CNC(=O)[C@]1(F)CCOC1 1106073364 SVLUHVWUXWNZGL-RISCZKNCSA-N 308.313 -0.607 30 20 DBED C[C@@H]1CCCN1CC(=O)NC[C@@H](O)CNc1cncc(C#N)n1 1106108821 PYHDTABQKPVRBR-YPMHNXCESA-N 318.381 -0.278 30 20 DBED CCC(=O)N[C@H](C)C(=O)NC[C@@H](O)CNc1ncccc1C#N 1106140499 KQZQGQMLSWIJCM-PWSUYJOCSA-N 319.365 -0.243 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)CCNC(N)=O)C[C@H]1C 1106965434 WAXDBZXJEDVKHN-CHWSQXEVSA-N 310.398 -0.621 30 20 DBED C#CCOCCC(=O)NCc1cn(C2CN(CCOC)C2)nn1 1107169619 OFPGIPAVGIHFJW-UHFFFAOYSA-N 321.381 -0.563 30 20 DBED CCN1C[C@H](C(=O)N[C@H](C)CN=c2cc[nH]c(C#N)n2)CC1=O 1108177975 MCYMIANOUNCEAV-GHMZBOCLSA-N 316.365 -0.445 30 20 DBED CC(=O)N1CC[C@@H](C(=O)NC[C@]2(C)CN(CC#N)CCO2)C1 1108369109 JZGPONIYMKQVMX-UKRRQHHQSA-N 308.382 -0.415 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)[C@H]2CN(C(C)=O)CCO2)C1 1108373248 SDYJRTBHOYPHAW-GDBMZVCRSA-N 323.393 -0.926 30 20 DBED CO[C@H](C)CN1CC(N2C[C@@H](NC(=O)C#CC3CC3)CC2=O)C1 1108545487 WWNLNIKIDIUAJL-OCCSQVGLSA-N 319.405 -0.164 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H](CC)OC 1109041934 CXVFFPMYENDFBL-ZOBORPQBSA-N 307.394 -0.118 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)COCCOC 1109090264 LIHFBESOFOXUOD-RDBSUJKOSA-N 323.393 -0.880 30 20 DBED C#CCOCCC(=O)N[C@@H](C)CN(C)c1nccn2nnnc12 1109102520 UNHAFWMCYMSPGD-NSHDSACASA-N 317.353 -0.500 30 20 DBED N#Cc1nccnc1NC[C@@H](NC(=O)Cn1cnnn1)C1CC1 1109775094 AGBXSHHGYLGSGH-LLVKDONJSA-N 313.325 -0.658 30 20 DBED C=CCOCC(=O)NC[C@]1(O)CCN(c2cc(F)ncn2)C1 1111039402 GIJUIRFHFRQWJC-CQSZACIVSA-N 310.329 -0.124 30 20 DBED CO[C@@H](C)CC(=O)NC[C@@]1(O)CCN(c2nccnc2C#N)C1 1111046013 VEAYDZGIQVLHQR-NHYWBVRUSA-N 319.365 -0.169 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCCC(N)=O 1111505219 JIHIDPABMAUWCP-UPJWGTAASA-N 320.393 -0.887 30 20 DBED COCCC(=O)NC[C@@H]1COCCN1c1ccnc(C#N)n1 1111649621 QIWPVBZRQTUTMY-LLVKDONJSA-N 305.338 -0.294 30 20 DBED CO[C@H](C)C(=O)NC1(CO)CCN(c2ccnc(C#N)n2)CC1 1112651300 LKMOKIJTWLUSSG-LLVKDONJSA-N 319.365 -0.169 30 20 DBED CCOCC(=O)NC[C@H]1CN(c2ncccc2C#N)C[C@H]1O 1112691496 FYTZDPNZKJKWEX-QWHCGFSZSA-N 304.350 -0.097 30 20 DBED C=CCOCCN1CCN(C(=O)[C@@H](C)NC(=O)COC)CC1 1112873404 LAXKYEIWWZOAII-CYBMUJFWSA-N 313.398 -0.516 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1C)N(C)c1ccnc(C#N)n1 1113813420 RTXJADXYOSYHHF-QWRGUYRKSA-N 316.365 -0.090 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)C[C@H]3CCCO3)[C@@H]2C1 1113925665 QQCIYEBJAUWYNW-JHJVBQTASA-N 307.394 -0.096 30 20 DBED COCCc1noc(CN2C[C@H]3C(NC(=O)[C@H](C)C#N)[C@@H]3C2)n1 1114063957 KDRLFXAGVGTSOT-GMTAPVOTSA-N 319.365 -0.035 30 20 DBED C#CCCCCC(=O)NC1[C@@H]2CN(Cc3nnnn3C)C[C@@H]12 1114159761 LGFPOSIKCLYSKG-VXGBXAGGSA-N 302.382 -0.050 30 20 DBED C#CCO[C@H](C)C(=O)NC1[C@@H]2CN(CC(=O)NCCCC)C[C@@H]12 1114271696 ZRYCYRCXUICJBH-MGPQQGTHSA-N 321.421 -0.013 30 20 DBED CCCN(CCO)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1116045556 YRACPVWIQDEMCJ-SEYXRHQNSA-N 310.354 -0.073 30 20 DBED C#C[C@H](C)N(C)C(=O)C(=O)Nc1ccn(CC(=O)N(C)C)n1 1116821075 GIBXHEPTZTXBIK-JTQLQIEISA-N 305.338 -0.610 30 20 DBED Cc1cc(N2CC[C@H](NC(=O)[C@H](N)CCCC#N)C2=O)n(C)n1 1118125535 SQIJFUKZKOWDGB-NEPJUHHUSA-N 318.381 -0.029 30 20 DBED Cc1ccc(C#N)c(N[C@@H](CO)CNC(=O)[C@@H]2CCC(=O)N2)n1 1121818009 GMMYAEMRDNREJN-NEPJUHHUSA-N 317.349 -0.571 30 20 DBED Cc1n[nH]c(C)c1C(=O)NC[C@H](CO)Nc1ccc(C#N)nn1 1121920521 LVRBQYPKNNGKLB-LLVKDONJSA-N 315.337 -0.109 30 20 DBED N#Cc1nc(=N[C@H](CO)CNC(=O)C2C=CC=CC=C2)cc[nH]1 1122158490 QQMMVWWZRFYDPT-ZDUSSCGKSA-N 311.345 -0.042 30 20 DBED C[C@@H]1CC[C@H](C(=O)NC[C@@H](CO)Nc2ccc(C#N)nn2)O1 1122659536 QHSIVRSRKZXOCO-ADEWGFFLSA-N 305.338 -0.195 30 20 DBED CC(=O)N[C@H](C)C(=O)N(C)C[C@@H](O)CNc1cnc(C#N)cn1 1124059925 NJNTXYBFOUPFPB-SKDRFNHKSA-N 320.353 -0.896 30 20 DBED CN(C[C@@H](O)CNc1ccc(C#N)nn1)C(=O)c1cncnc1 1124329620 NHCDTPMXYYZTRM-LBPRGKRZSA-N 313.321 -0.317 30 20 DBED CN(C[C@@H](O)CNc1ccc(C#N)nc1)C(=O)c1cnon1 1124466693 XNRPTTUCEQNWAE-NSHDSACASA-N 302.294 -0.119 30 20 DBED C#CCNC(=O)CC(=O)NCCNCCCOCC(F)(F)F 1125999117 XXPHHQAUPMNXCU-UHFFFAOYSA-N 323.315 -0.199 30 20 DBED C[C@H](NC(N)=O)C(=O)NCCNCc1cc(C#N)ccc1F 1126204659 UBDPXNXXUXDUIA-VIFPVBQESA-N 307.329 -0.040 30 20 DBED COCCN(CCNC(=O)c1cc[nH]n1)c1cnc(C#N)cn1 1126225576 XEMRCURUBNUYDL-UHFFFAOYSA-N 315.337 -0.046 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCNCC(=O)Nc1cc(C)no1 1126360053 HSHIMJIFXPHPCG-CQSZACIVSA-N 310.354 -0.046 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCNCCCNS(=O)(=O)CC 1126366030 PQWHSHGDHMIQMH-CYBMUJFWSA-N 321.443 -0.651 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCNCCCS(=O)(=O)CC 1126378965 VEDNLMXKZQXAGA-CYBMUJFWSA-N 306.428 -0.156 30 20 DBED COCCN(CCNC(=O)c1nc[nH]n1)c1ccc(C#N)nn1 1126384847 TZVSANFMZIJJET-UHFFFAOYSA-N 316.325 -0.651 30 20 DBED C#CCO[C@@H](C)C(=O)NCCN[C@H](C)c1nnnn1C1CC1 1127046610 TUKQNSORHYLGAR-MNOVXSKESA-N 306.370 -0.187 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1 1129477016 WNMSFLBTLJBYTG-OLZOCXBDSA-N 304.354 -0.264 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)Cc1ncc(CC)[nH]1 1129831486 WZVHPAARWZRAEC-NSHDSACASA-N 307.398 -0.089 30 20 DBED C=C(Cl)CNCCNC(=O)CN(C)CC(=O)NC(C)C 1130791425 RQPSQKKBARZPCK-UHFFFAOYSA-N 304.822 -0.099 30 20 DBED CCOCCN1CCNC(=O)CCN(C(=O)[C@@H](C)C#N)CC1 1131339562 HXEMNCHLSGTLKW-ZDUSSCGKSA-N 310.398 -0.167 30 20 DBED COCCC(=O)N1CCC[C@H](N2CCN(CC#N)CC2=O)C1 1131704163 RKWCUXMALUOIBE-ZDUSSCGKSA-N 308.382 -0.318 30 20 DBED C=CCNC(=O)CN1C[C@H](NC(=O)CN(C)C(C)=O)CC[C@H]1C 1131829524 HMPSPUAYZUNDEH-TZMCWYRMSA-N 324.425 -0.264 30 20 DBED C#CCNC(=O)CN1C[C@H](NC(=O)CNC(=O)CC)CC[C@@H]1C 1131911395 HLTXITZASFCOPV-QWHCGFSZSA-N 322.409 -0.769 30 20 DBED C#CCNC(=O)CNCCNC(=O)C[C@@H](C)n1ccc(C)n1 1132313448 XBPWFOUWBYRYQN-CYBMUJFWSA-N 305.382 -0.402 30 20 DBED C=CCOCC(=O)N1CC[C@H](C)[C@H](CNCc2nnnn2C)C1 1132705695 QJWSDQDNUYKBIZ-QWHCGFSZSA-N 322.413 -0.013 30 20 DBED C#CCNC[C@H]1CN(C(=O)CN(C)C(=O)COC)CC[C@@H]1C 1132874794 MYWOBJIRQQABGO-KBPBESRZSA-N 309.410 -0.201 30 20 DBED CCC(=O)NCC(=O)N[C@@H](C)C[C@H](C)NCC(=O)NCC#N 1133970104 RLEDGCRPHSPRGE-QWRGUYRKSA-N 311.386 -0.975 30 20 DBED Cc1nc(O)[nH]c1C(=O)N[C@H](C)C[C@H](C)NCC(=O)NCC#N 1134685877 WDNPJVYUKMNWJW-DTWKUNHWSA-N 322.369 -0.450 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1cnc(C)nc1C 1135490317 GRPQPYMLQNZGAC-LLVKDONJSA-N 303.366 -0.449 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1ncoc1-c1ccon1 1147986863 MYTOQLJBPSSXRS-UHFFFAOYSA-N 319.321 -0.049 30 20 DBED C#Cc1ccc(C(=O)NCCNCCN(C)S(C)(=O)=O)nc1 1148370372 UXFKUIMXRCNBJX-UHFFFAOYSA-N 324.406 -0.726 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)[C@@H](C)OCC=C)C2 1148881910 ZNWPQAYTXUQVGB-CQSZACIVSA-N 319.405 -0.139 30 20 DBED C#CCCN1CCCO[C@H](CNC(=O)CN2CCCC2=O)C1 1149159390 HGIIAWBRDLAQKS-CQSZACIVSA-N 307.394 -0.161 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(CCOCCO)CCCO1 1149383180 BAQDYAYYYWTZNL-AWEZNQCLSA-N 316.398 -0.595 30 20 DBED C=CCOCC(=O)NC[C@H]1CN([C@H]2CCNC2=O)CCCO1 1149384801 XFCPCJKXUKUMQX-STQMWFEESA-N 311.382 -0.715 30 20 DBED CCCC(=O)N1CCC[C@@H]1C(=O)NCCNCC(=O)NCC#N 1152102569 MPHJAIJUCMOCHR-GFCCVEGCSA-N 323.397 -0.877 30 20 DBED C=CCNC(=O)NC(=O)CNCCCNC(=O)c1cc(C)on1 1154432629 DODFTFMZPDCXHU-UHFFFAOYSA-N 323.353 -0.296 30 20 DBED CN(CCNCCCNC(=O)C#CC1CC1)S(C)(=O)=O 1157705256 UACATMFUELWLPJ-UHFFFAOYSA-N 301.412 -0.613 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)[C@H]1CCCCN1C 1161051959 DNKYFWPVRQTPQC-ZIAGYGMSSA-N 308.426 -0.296 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)c1coc(OCC)n1 1161844018 ROAURPYDUWMYJR-LLVKDONJSA-N 322.365 -0.079 30 20 DBED C#CCN1CCC(CNC(=O)CCn2cnnn2)(COC)CC1 1162558309 NOKTXFODOWGGDS-UHFFFAOYSA-N 320.397 -0.459 30 20 DBED CCc1cc(C(=O)NCCCNCC(=O)NCC#N)c(C)nn1 1163242027 HABOULQVZJAOOM-UHFFFAOYSA-N 318.381 -0.303 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@@H]1CCCCN(C)C1=O 1171018356 FGKRROVRSPXHPG-ZDUSSCGKSA-N 324.425 -0.357 30 20 DBED COCC#CCN1CCO[C@H]2CCN(C(=O)CCN(C)C)C[C@H]21 1177081555 QXMIIOWAPIIBOR-CVEARBPZSA-N 323.437 -0.110 30 20 DBED CC#CCNC[C@]1(C)CN(C(=O)C[C@@H]2NC(=O)NC2=O)C[C@H]1C 1181764619 SOCJTYGUVYBIDI-BFQNTYOBSA-N 320.393 -0.318 30 20 DBED C=CCOCCN[C@@H]1CCN(C(=O)CS(=O)(=O)N(C)C)C1 1187522178 JMEOPJNMHNYTGR-GFCCVEGCSA-N 319.427 -0.729 30 20 DBED CNC(=O)NCCC(=O)N1CC[C@H](N(C)CC#CCOC)C1 1189983105 FEWFGRFZIXQWOO-ZDUSSCGKSA-N 310.398 -0.512 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)c2ccc(C)nn2)C1 1192762305 VVNAFJHSLAVJCU-ZIAGYGMSSA-N 304.350 -0.790 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2nccn2C)C[C@H]1O 1192886586 TVLTZMDPINHTHC-CHWSQXEVSA-N 306.366 -0.879 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)NS(=O)(=O)CC)C1 1193141902 XCSLDXSWIMEATN-IJLUTSLNSA-N 319.427 -0.948 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCCN(Cc2nc(=O)n(C)[nH]2)CC1 1195652701 URDWAXMSWFRJJN-HNNXBMFYSA-N 323.397 -0.530 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCCN(C(=O)c2cn(C)nn2)CC1 1195710352 PLVITBBFTMSZIQ-GFCCVEGCSA-N 320.397 -0.346 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)[C@]2(F)CCOC2)CC1 1196910625 RHTDYZCFQUZLDI-HNNXBMFYSA-N 313.373 -0.049 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@H](C)Cc2cnn(C)c2)C1 1197349568 GTNLZIOAYNUTOB-BPLDGKMQSA-N 304.394 -0.217 30 20 DBED Cc1cc(C(=O)N2CCC(NCC(=O)NCC#N)CC2)nn1C 1199529361 GCZUVZGYPLQXAC-UHFFFAOYSA-N 318.381 -0.438 30 20 DBED N#CCNC(=O)CNC1CCN(C(=O)CCc2ncc[nH]2)CC1 1200290897 GDNXSAQTSYDYED-UHFFFAOYSA-N 318.381 -0.437 30 20 DBED CC(C)C#CC(=O)N1CCCO[C@H](CNCC(=O)NC(N)=O)C1 1200462652 OWVQHFGGFBBPEX-GFCCVEGCSA-N 324.381 -0.952 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)[C@H]2CCCC(=O)N2)CCCO1 1200767054 KWYPOAKABWUVQL-ZIAGYGMSSA-N 307.394 -0.115 30 20 DBED CN1CC[C@@H](C(=O)N2CCCO[C@H](CNCC#N)C2)CC1=O 1200824808 SDYCZAVQUBGUKQ-CHWSQXEVSA-N 308.382 -0.415 30 20 DBED CN(C)CCCC(=O)N1CCC(NCC(=O)NCC#N)CC1 1202217087 IIJFDXRWQZRCCL-UHFFFAOYSA-N 309.414 -0.451 30 20 DBED Cc1ccnc(C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@H]2C)n1 1206921238 GGBKPHCXKRJXNG-ZYHUDNBSSA-N 316.365 -0.525 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@H](Cn2cccn2)N(C)C)[C@H](C)C1 1207546908 FFXPMNZBLBFJIH-KFWWJZLASA-N 303.410 -0.117 30 20 DBED CC(C)(C)C(=O)C(=O)N1CCC[C@H](NCC(=O)NCC#N)C1 1207698151 NPLVDHVDGYYXMZ-NSHDSACASA-N 308.382 -0.178 30 20 DBED C[C@H]1CCN(CC(=O)N2CCC[C@@H](NCC(=O)NCC#N)C2)C1 1209643634 UOYRONZIMPSNPR-UONOGXRCSA-N 321.425 -0.451 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](N[C@H](C)C(=O)N(C)C)[C@H](C)C1 1214474120 ZYFYPICPEYHUAC-JHJVBQTASA-N 322.409 -0.961 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)CCCN(C)C)C[C@H]1C 1215421640 KGQBPIHEGHRNCN-ZIAGYGMSSA-N 308.426 -0.486 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(CCCCOC)C[C@@H]1O 1219821580 RUGXPALCTUXTIK-PMPSAXMXSA-N 323.437 -0.328 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@]2(C)C[C@@H]3C[C@@H]3C2)C1 1220051854 NSXFLFBSWCFCSK-XKSGDERDSA-N 321.421 -0.114 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@@H](CC(=C)C)NC(C)=O)C1 1220493219 KXMDHMQBFREPHN-KFWWJZLASA-N 307.394 -0.358 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N1CC[C@@H]2CN(C(C)=O)[C@@H]2C1 1221209348 QGFIYZSGCWSJIY-RAIGVLPGSA-N 308.382 -0.061 30 20 DBED C[C@H]1C[C@@H](C(=O)NCC2CCN(CC(=O)NCC#N)CC2)CO1 1223654280 KGVGSFCFZPQCGM-GXTWGEPZSA-N 322.409 -0.121 30 20 DBED C#CCN1CCC(CNC(=O)CN2C(=O)NC(C)(C)C2=O)CC1 1225317760 NGGKWFYJAOIJDH-UHFFFAOYSA-N 320.393 -0.222 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)c2cnn(C)c2N)CC1 1226951740 IBLQVEAEGWIWAL-UHFFFAOYSA-N 320.397 -0.501 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)C2(C(=O)NC)CC2)CC1 1229600799 AABRETWGMQRANZ-UHFFFAOYSA-N 322.409 -0.605 30 20 DBED C=CCCOCC(=O)NC1CCN(Cc2nc(=O)n(C)[nH]2)CC1 1230411528 LICGULQJELNNGU-UHFFFAOYSA-N 323.397 -0.218 30 20 DBED CN(C[C@@H]1CCN1CC(=O)NCC#N)C(=O)Cc1cnn(C)c1 1231161754 NTXBOLCAWNMPQO-ZDUSSCGKSA-N 318.381 -0.865 30 20 DBED N#Cc1cccc(NC(=O)C(=O)NCCS(=O)(=O)C2CC2)n1 1261460708 MLOUAOBJNLAEDF-UHFFFAOYSA-N 322.346 -0.415 30 20 DBED C=CCN(C(=O)C(=O)N1CCC(C(=O)NCCO)CC1)C1CC1 1261864283 APMRUTYGMRZFQN-UHFFFAOYSA-N 323.393 -0.490 30 20 DBED C#CC1CCN(c2nnnn2CCNS(=O)(=O)CC)CC1 1262404311 KRUPPXJWSGADTH-UHFFFAOYSA-N 312.399 -0.538 30 20 DBED CCNC(=O)[C@H](C)NC(=O)C(=O)Nc1cc(C)n(CCC#N)n1 1319670437 AJFBJOYWQTUFCP-JTQLQIEISA-N 320.353 -0.316 30 20 DBED Cc1cc(NC(=O)C(=O)NCC2(C)OCCO2)n(CCC#N)n1 1319794926 PUOGNRBMWCGHCB-UHFFFAOYSA-N 321.337 -0.077 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)NCC[C@H]2C[C@H]3CC[C@H]2O3)C1 1328317079 OWBXMFOCSHPICX-VLXAULBPSA-N 321.377 -0.063 30 20 DBED C[C@@H](CCO)N(C)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1328644463 ZQGHSTBTZVOWNE-AGKQBQDBSA-N 310.354 -0.075 30 20 DBED C[C@H]1CN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CCCO1 1331945264 FKMGZUDIRNQUIE-JSGCOSHPSA-N 320.393 -0.177 30 20 DBED C#CCOCCNC(=O)C(=O)N1CC(=O)N[C@@H]2CCCC[C@@H]21 1342446176 QYFUEKKVIMETKY-NEPJUHHUSA-N 307.350 -0.978 30 20 DBED N#CCCN1CCN(C(=O)C(=O)N2C[C@@H]3[C@@H](C2)C3(F)F)CC1 1351931663 RZVAFDKPTHUMJB-GHMZBOCLSA-N 312.320 -0.232 30 20 DBED Cc1cc(=O)n(C)cc1NC(=O)Cn1cc(C#N)c(O)nc1=O 1362379039 LZOHVYSTNYYSIH-UHFFFAOYSA-N 315.289 -0.534 30 20 DBED C[C@@H]1CC(=O)CC[C@H]1C(=O)NCCn1cc(C#N)c(O)nc1=O 1362690320 QSUQHHRFWZJFET-BXKDBHETSA-N 318.333 -0.058 30 20 DBED CCNS(=O)(=O)CCNC(=O)N1CCN(CCC#N)CC1 1364524136 LFYIKYZAHDJHHJ-UHFFFAOYSA-N 317.415 -0.833 30 20 DBED CCc1ocnc1C(=O)N(C)C[C@@H](O)CNC(=O)[C@H](C)C#N 1370974693 RPAJDEZCNZFTMB-ZJUUUORDSA-N 308.338 -0.054 30 20 DBED CCCC[C@H](NC(N)=O)C(=O)NC1CN(C(=O)[C@H](C)C#N)C1 1409071537 VREBULFZUKKNMA-KOLCDFICSA-N 309.370 -0.300 30 20 DBED Cn1c(C(=O)NCCn2cc(C#N)c(O)nc2=O)cnc1Cl 1412372456 IKQIGXHTYLAPBD-UHFFFAOYSA-N 322.712 -0.363 30 20 DBED CS(=O)(=O)N1CCC[C@@H]1C(=O)NCc1ccnc(C#N)c1 1412915767 LHCZUSIAONTHFX-GFCCVEGCSA-N 308.363 -0.007 30 20 DBED COC(=O)[C@@]1(C)CCCN(c2[nH]c(=O)n(C)c(=O)c2C#N)C1 1421162755 YRXYXLMSQZKGJF-AWEZNQCLSA-N 306.322 -0.275 30 20 DBED CC(C)Cc1noc(CNC[C@@H](O)CNC(=O)[C@H](C)C#N)n1 1422267369 RMVVFJHKZSXQIM-GHMZBOCLSA-N 309.370 -0.006 30 20 DBED COCC(=O)N(C)CC(=O)N(C)C[C@H]1CCN1C(=O)[C@@H](C)C#N 1426779560 YDIYDMCDNWVJAU-NWDGAFQWSA-N 324.381 -0.690 30 20 DBED N#Cc1ncn(CC(=O)NC[C@H](n2cncn2)C(F)(F)F)n1 1434280937 CVDQKTBIMNVZLS-ZETCQYMHSA-N 314.231 -0.339 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1C[C@@H](NC(=O)C[C@H]2CCC(=O)N2)C1 1445958558 OSPXTQRXDVHJMV-NNYUYHANSA-N 306.366 -0.174 30 20 DBED C[C@@H](CNC(=O)c1cnnn1C)NC(=O)c1c[nH]c(C#N)c1 1454607646 TWBVITFLSBJYKZ-QMMMGPOBSA-N 301.310 -0.437 30 20 DBED CC(=O)NCC(=O)N1CC[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 1454809099 SBTBITKIQLYHOG-LLVKDONJSA-N 317.349 -0.399 30 20 DBED COC[C@H](C)C(=O)NC[C@@H](O)CNC(=O)c1cc(C#N)c[nH]1 1457943033 OEUBZTDNZZJJIT-GXSJLCMTSA-N 308.338 -0.624 30 20 DBED CCN(CCC#N)S(=O)(=O)N[C@H](CO)C[C@H]1CCCO1 1464549612 ZJDILXFEXXCJBY-NWDGAFQWSA-N 305.400 -0.014 30 20 DBED CCN(CCC#N)C(=O)CN1CC(NC(=O)c2cnccn2)C1 1494334314 MNYZMWUOXRFIBO-UHFFFAOYSA-N 316.365 -0.347 30 20 DBED C[C@H](CCNC(=O)CN1CCC(=O)NC1=O)NC(=O)[C@H](C)C#N 1495717142 ZNLHGDNGWXDIQK-NXEZZACHSA-N 323.353 -0.901 30 20 DBED N#C[C@@H]1CNC[C@@H]1NC(=O)N1CCC(n2cnnc2O)CC1 1580044253 YTBBDECBOCCXJC-KOLCDFICSA-N 305.342 -0.558 30 20 DBED C#CCN(CC(=O)O)C(=O)c1cn(CCOC)c(C)cc1=O 1588418794 UCDQNFOPKPTPRZ-UHFFFAOYSA-N 306.318 -0.037 30 20 DBED C#CC[C@H](NS(=O)(=O)CCCN1CCN(C)CC1)C(=O)O 1588423436 HBKXOHSNTGGZLH-LBPRGKRZSA-N 317.411 -0.980 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NC[C@H](F)C(=O)O 1588534378 GASUMUFVTYEPKV-UTLUCORTSA-N 302.302 -0.377 30 20 DBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)COCC(=O)O 1589406099 GSXWUSKZVHEFLA-SNVBAGLBSA-N 319.321 -0.513 30 20 DBED CCC(CC)(C(=O)O)C(=O)NCCn1cc(C#N)c(O)nc1=O 1589474205 SAVQTRWNWMWHJI-UHFFFAOYSA-N 322.321 -0.172 30 20 DBED N#CCNC[C@@H](NC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C1CC1 1592678559 AMGTZKKIKFDOKP-LLVKDONJSA-N 300.326 -0.184 30 20 DBED COC(=O)[C@H]1CN(C(=O)c2ccc(C#N)nc2)C[C@H]1C(=O)O 1598815867 IUCJICCCBLQNGM-MNOVXSKESA-N 303.274 -0.101 30 20 DBED CO[C@@]1(C(=O)O)CCN(C(=O)C(=O)N2CC[C@@](C)(C#N)C2)C1 1599068388 XWJNMEJCQMEESF-KBPBESRZSA-N 309.322 -0.549 30 20 DBED C#C[C@@H](C)N(C)c1nnc(Cn2cnc(-c3nn[nH]n3)n2)n1C 1602690781 ZYWOSEXLFJLACN-MRVPVSSYSA-N 313.329 -0.907 30 20 DBED C/N=C(/NC[C@@H](C)C(=O)O)N1CCS(=O)(=O)C(C)(C)C1 1606258904 IRTQFWSNISHDOV-SECBINFHSA-N 305.400 -0.209 30 20 DBED N#Cc1cncc(NCCN(CCO)C(=O)[C@@H]2C[C@H]2C(=O)O)n1 1608222661 KDVSNUPHWIKUKA-GHMZBOCLSA-N 319.321 -0.698 30 20 DBED C=CCNC(=O)[C@H](C)N1CC[C@H](NC(=O)Cn2ccnc2)C1 1698549236 KVKGPJVNVQDYKL-STQMWFEESA-N 305.382 -0.236 30 20 DBED COCC(=O)NC[C@H](C)NCC(=O)NCC#Cc1ccccc1 1752856156 NXVWBNJVXMPXHP-AWEZNQCLSA-N 317.389 -0.105 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H](C)CCNC(=O)c1cnccn1 1753001822 MPDGXEGCQGASEL-VXGBXAGGSA-N 303.366 -0.288 30 20 DBED C#CCNC(=O)CN(C)CCNC(=O)c1n[nH]c2ccccc12 1753073466 YRBMBHFPLVCSRM-UHFFFAOYSA-N 313.361 -0.026 30 20 DBED C=CCNC(=O)CN1CCC[C@@H]1CNC(=O)C[C@H]1CCC(=O)N1 1753113586 QSPVECAXIRBRNK-CHWSQXEVSA-N 322.409 -0.462 30 20 DBED CCCN(C(=O)c1cn(CC(N)=O)nn1)[C@@H]1CCN(CC#N)C1 1753322260 GKOFRHBYIHZEPJ-LLVKDONJSA-N 319.369 -0.787 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@H](N(C)C(=O)Cc2cnoc2)C1 1753441119 CEXOFFAQLMIMEA-JSGCOSHPSA-N 318.377 -0.112 30 20 DBED CC#CCN[C@H](CC)CNC(=O)CCS(=O)(=O)N(C)C 1753496824 IMFDTGQBSBNYCC-GFCCVEGCSA-N 303.428 -0.224 30 20 DBED COCC#CCN(C)CCN(C)C(=O)c1ccc(C(N)=O)nc1 1753869882 JBYALFKHBFPTSI-UHFFFAOYSA-N 318.377 -0.166 30 20 DBED COCC#CCNC/C=C\CNC(=O)C[C@H]1CCC(=O)NC1 1754128146 CDUOLGCGDIMGNT-PYLYLYNFSA-N 307.394 -0.186 30 20 DBED N#CCNC(=O)CNC/C=C/CNC(=O)[C@@H]1C[C@H]2C=C[C@H]1O2 1754141769 KADAPBSCVXLLEL-RQXLUERRSA-N 304.350 -0.768 30 20 DBED C=CCNC(=O)CN(C)C[C@@H](C)NC(=O)c1cn(C)c(O)n1 1754324030 XQTQOEIFGJYSMD-SNVBAGLBSA-N 309.370 -0.522 30 20 DBED C=CCNC(=O)CN1C[C@H]2C[C@H]1[C@@H]2NC(=O)C(C)(C)NC(C)=O 1754429482 OFHXYBITXMWXEL-MBNYWOFBSA-N 322.409 -0.608 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CNC(=O)CC1CCN(C)CC1 1754495322 JBNLIXHFAOKUSG-OAHLLOKOSA-N 320.437 -0.342 30 20 DBED C#CCCNC1(CNC(=O)[C@@H]2CCNC(=O)C2)CCOCC1 1754738273 QMGCFTDHNCFNLE-CYBMUJFWSA-N 307.394 -0.209 30 20 DBED C=C(C)CN1CC(O)(CNC(=O)c2cc(C)c(C(N)=O)cn2)C1 1754774614 UKHMWPPLKYBNML-UHFFFAOYSA-N 318.377 -0.158 30 20 DBED C=CCOCCN1C[C@H]2CN(C(=O)[C@@H]3COC(=O)N3)C[C@H]2C1 1754842722 UQWHPFXYTGLMQW-XQQFMLRXSA-N 309.366 -0.312 30 20 DBED Cn1ncnc1CN1CC2(C[C@@H](NC(=O)C#CC3CC3)CO2)C1 1755061404 JYYUWNMJJPWTDX-CYBMUJFWSA-N 315.377 -0.312 30 20 DBED N#CCNCCCOC1CCN(C(=O)Cn2ncnn2)CC1 1755345533 ULDAIHBATWVRKS-UHFFFAOYSA-N 307.358 -0.816 30 20 DBED C=CCOCCN1C[C@H]2CC[C@H]1CN2C(=O)[C@H]1COC(=O)N1 1755395516 XFQPVBMDGVPBNT-YNEHKIRRSA-N 309.366 -0.027 30 20 DBED C#Cc1ccc(C(=O)N[C@H](C)[C@H](C)NC(=O)CC(N)=O)cn1 1755957507 CPUQQFJJWWWIOR-VHSXEESVSA-N 302.334 -0.439 30 20 DBED C[C@@H](CN(C)C(=O)c1cc(C#N)c[nH]1)NC(=O)C(C)(C)C(N)=O 1756440759 FVVRTTCDCXPDKP-VIFPVBQESA-N 319.365 -0.025 30 20 DBED CC(C)C#CC(=O)N[C@@H](C)CN(C)C(=O)[C@@H]1CN(C)CCO1 1756440928 HMRCGKLRCFQVOD-KBPBESRZSA-N 309.410 -0.061 30 20 DBED C#Cc1ccc(C(=O)N(C)C[C@H](C)NC(=O)CNC(C)=O)nc1 1756478011 DSOAYCWMHVEHOZ-NSHDSACASA-N 316.361 -0.224 30 20 DBED Cc1c(C(=O)NC[C@@H](CO)NC(=O)C#CC(C)(C)C)nnn1C 1756509893 BYLABHVNVDWURV-NSHDSACASA-N 321.381 -0.620 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)c2ncoc2C)C[C@H]1O 1756985980 YRDYMQWQWSLPGL-GHMZBOCLSA-N 309.322 -0.513 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC1(O)CCC1)C2 1800456350 XWJLPYJOCIGCSF-JJLQDPRZSA-N 306.362 -0.486 30 20 DBED Cn1cc(C#N)c(=O)n(CC(=O)NCc2ccc(F)cc2)c1=O 11457936 IDJLLJQCMHKNHN-UHFFFAOYSA-N 316.292 -0.126 30 20 DBED C#CCN1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 45944143 IMOHSDKQCBQGOE-CHWSQXEVSA-N 301.412 -0.409 30 20 DBED Cn1c(NCCOC[C@@H]2CCOC2)c(C#N)c(=O)n(C)c1=O 68771184 DOURKXHUEFAMHJ-SNVBAGLBSA-N 308.338 -0.579 30 20 DBED CS(=O)(=O)N1CCN(S(=O)(=O)CCCCC#N)CC1 68874687 HMPGIHQXWXXWAJ-UHFFFAOYSA-N 309.413 -0.413 30 20 DBED C#CCCCCC(=O)NCCS(=O)(=O)N1CCOCC1 119807701 UUTUFTMOSOKNDU-UHFFFAOYSA-N 302.396 -0.042 30 20 DBED C/N=C(/NC[C@@H]1CN2CCN1CC2)N(C)Cc1cnn(C)c1 178510160 AGTXQVGJGNYURQ-CQSZACIVSA-N 305.430 -0.573 30 20 DBED C=CCN1CC[C@H](N(C)Cc2cc(=O)n(C)c(=O)n2C)C1=O 281363036 NYJPKTIBTXDDCB-LBPRGKRZSA-N 306.366 -0.697 30 20 DBED C[C@@]1(c2ccc(C(=O)NCC#CCO)cc2)NC(=O)NC1=O 283063084 AELNIHDCWCVDJM-HNNXBMFYSA-N 301.302 -0.533 30 20 DBED CCC[C@@H](C)C(=O)NCCNc1c(C#N)c(=O)n(C)c(=O)n1C 292873400 YCFHSNOYJZLHJX-SNVBAGLBSA-N 321.381 -0.080 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)NC[C@H]2CC[C@@H](CO)O2)cc1 294578333 LPUBTAHATCNOPO-KGLIPLIRSA-N 317.345 -0.056 30 20 DBED COCCN1CCC(Nc2c(C#N)c(=O)n(C)c(=O)n2C)CC1 299247168 POTFRPXBPGULEY-UHFFFAOYSA-N 321.381 -0.522 30 20 DBED C/N=C(/O)NC1CN(/C(O)=N/C[C@@H]2CC(=O)N(C3CC3)C2)C1 328695301 KKYMLXVYHDTOSH-VIFPVBQESA-N 309.370 -0.271 30 20 DBED CN1CCN(CC/N=C(/O)CN2CCOCC2=O)CC1(C)C 328726294 UMMUPKXLAKJOHB-UHFFFAOYSA-N 312.414 -0.172 30 20 DBED CC(C)C/N=C(/O)NC(=O)[C@H](C)N1CCN(C(=O)CO)CC1 330487144 FQRXHDPVFTUTOD-NSHDSACASA-N 314.386 -0.802 30 20 DBED C/N=C(/O)NCC(=O)N1CCN([C@@H](C)c2nc(C)no2)CC1 330524721 JMINQUAMTBGVJS-VIFPVBQESA-N 310.358 -0.283 30 20 DBED COC[C@H](C)/N=C(/O)NC(=O)CN1C[C@H](C)O[C@@H](CO)C1 330983797 QGWCOYLNKJQDRI-GARJFASQSA-N 303.359 -0.867 30 20 DBED C=CCCC(=O)N1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 331042620 DELYOSRDWZZBBS-RYUDHWBXSA-N 302.396 -0.745 30 20 DBED N#CCC/N=C(/O)N1CCN(C(=O)CN2CCOCC2)CC1 331155979 PPSDLWRUJNRYIY-UHFFFAOYSA-N 309.370 -0.710 30 20 DBED C[C@](C#N)(NC(=O)CN1CCC[C@H](S(N)(=O)=O)C1)C1CC1 331918765 UYCSHOKVMWNTAM-WCQYABFASA-N 314.411 -0.452 30 20 DBED CCN(C[C@H]1CCCO1)S(=O)(=O)N1CCO[C@@H](C#N)C1 336928127 YQVYSYDMFQCHIE-NEPJUHHUSA-N 303.384 -0.044 30 20 DBED CC(C)[C@@H](NC(=O)c1ccco1)C(=O)NCC(=O)NCC#N 343541126 LDRNIKCMLUCGFK-GFCCVEGCSA-N 306.322 -0.210 30 20 DBED N#CCNC(=O)CNC(=O)CNC(=O)Cc1cccc(F)c1 344179788 LZYMUHWOHLXAKL-UHFFFAOYSA-N 306.297 -0.760 30 20 DBED C=C(C)CN1CCC(NC(=O)C(=O)NCC(F)(F)CN)CC1 419729583 OUUWFVYWFIQVHU-UHFFFAOYSA-N 318.368 -0.147 30 20 DBED N#C[C@H]1CC[C@@H](NC(=O)C2CCN(S(N)(=O)=O)CC2)C1 424975725 IIOFDEPURGTOBV-GXSJLCMTSA-N 300.384 -0.290 30 20 DBED Cc1nc(C#N)c(C#N)n1CC(=O)N1CCCC[C@@H]1C(N)=O 442913140 PEHGZIPUZPLYMP-LLVKDONJSA-N 300.322 -0.199 30 20 DBED C#CCNC(=O)CN1CCN(Cc2ncnn2CC(C)C)CC1 491096276 QVNRWJDJPWPXDG-UHFFFAOYSA-N 318.425 -0.199 30 20 DBED O=C1c2ccccc2C(=O)N1CC#CCN1C[C@@H](CO)[C@@H](O)C1 528519021 HQJADJIVJXZPSP-WFASDCNBSA-N 314.341 -0.429 30 20 DBED CC#CC[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)O 543786884 SIAHVUDBJNMFGW-NSHDSACASA-N 310.331 -0.070 30 20 DBED CC(C)(C#N)CCS(=O)(=O)NC[C@H](O)Cn1ccnn1 565237302 YYSPPCGGGJLUOL-JTQLQIEISA-N 301.372 -0.502 30 20 DBED CCN(C[C@H](C)C#N)C(=O)Cn1cnc2c(c1=O)CCNCC2 578984630 JMNFUKQEIJPTLC-GFCCVEGCSA-N 317.393 -0.060 30 20 DBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 583672367 MMTWXRKXIGSYFX-TUAOUCFPSA-N 322.365 -0.087 30 20 DBED CNC(=O)Cn1nc(NC(=O)N2CCO[C@H](C#N)C2)cc1C 611247065 GZOAOXQUUWLGOJ-SNVBAGLBSA-N 306.326 -0.306 30 20 DBED C=CCOCCNS(=O)(=O)C[C@@H]1CCCS(=O)(=O)C1 660085772 VMRZNTIPODQVTC-LLVKDONJSA-N 311.425 -0.067 30 20 DBED C=C[C@H](O)C(=O)NC[C@H](Cc1ccccc1)NC(=O)[C@@H](O)C=C 667260747 CXHUMILTFAISOA-KKUMJFAQSA-N 318.373 -0.076 30 20 DBED C#CCC[C@@H](O)CNS(=O)(=O)c1scnc1C(=O)OC 717920009 LVXLJMUQYMYIIH-MRVPVSSYSA-N 318.376 -0.018 30 20 DBED C#CCC[C@@H](O)CNS(=O)(=O)c1scnc1C(=O)O 717920762 QTHBDSSGIBSBCF-SSDOTTSWSA-N 304.349 -0.106 30 20 DBED CS(=O)(=O)CCNN=C1C(=O)Nc2ccc([N+](=O)[O-])cc21 733205396 UKAYQSWLHGXLMO-UHFFFAOYSA-N 312.307 -0.115 30 20 DBED CN(C)CCCN(CCC#N)C(=O)c1cn(C)c(=O)n(C)c1=O 735038613 LWBKYHLWXQUYKM-UHFFFAOYSA-N 321.381 -0.608 30 20 DBED N#Cc1cc(C(=O)O)cn(CCCOC(=O)NC(N)=O)c1=O 739092762 JHZCPUHEHSRGGF-UHFFFAOYSA-N 308.250 -0.387 30 20 DBED C=CCNC(=O)[C@@H](C)OC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 751680512 UNDXIGKRIIACEK-NXEZZACHSA-N 306.322 -0.004 30 20 DBED C#CCNC(=S)Nc1cnn(CC(=O)N2CCOCC2)c1 758249335 ZUDZEAWOQVGLQT-UHFFFAOYSA-N 307.379 -0.339 30 20 DBED C=CCNC(=O)COC(=O)c1ccc(S(=O)(=O)NC)nc1 770460104 UIJSJZXBZSSWCR-UHFFFAOYSA-N 313.335 -0.551 30 20 DBED C#C[C@H](NC(=O)CN(C)[C@H]1CCS(=O)(=O)C1)[C@H]1CCCO1 776262636 FPBHDDWALDZUQS-RWMBFGLXSA-N 314.407 -0.598 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N2CC(O)(c3ccccc3)C2)CCO1 796207455 RGFLAFFMBCPFIW-CYBMUJFWSA-N 323.374 -0.341 30 20 DBED C=CCOCCOC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C 797306642 RNBWHKZBZAKDFI-UHFFFAOYSA-N 321.333 -0.065 30 20 DBED C#C[C@@H](NS(=O)(=O)N(CCC#N)CCOC)[C@H]1CCCO1 800114041 XQWGHIQMKPPFAJ-CHWSQXEVSA-N 315.395 -0.136 30 20 DBED C#CCOCCC(=O)N1CCN(S(=O)(=O)CC)C[C@H]1C 805361045 PIWAQXYZCKORLS-GFCCVEGCSA-N 302.396 -0.091 30 20 DBED C#CCOCCNC(=O)N1CCC(CNS(C)(=O)=O)CC1 807106367 PIWPDGWTGJOAQV-UHFFFAOYSA-N 317.411 -0.393 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@@H]1CCN(C(=O)CC)C1)[C@H]1CCCO1 807840886 MUMALKPTRTXLAA-FRRDWIJNSA-N 321.377 -0.590 30 20 DBED C#C[C@H](NC(=O)C(=O)NCCN1CCOC[C@@H]1C)[C@H]1CCCO1 809310259 BMZKNLTUHVDBPF-MELADBBJSA-N 323.393 -0.880 30 20 DBED O=C(N[C@@H]1CCCN(O)C1=O)c1cnc2sccn2c1=O 816753520 JUMZZFVDYRBKPC-MRVPVSSYSA-N 308.319 -0.134 30 20 DBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCO[C@@H]2C[C@@H]21 816898169 UWCRQIWTIMZZEJ-WDEREUQCSA-N 321.358 -0.275 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@H](C)C(=O)N(C)OC 859413447 IEAZYTGIBQQWHH-SNVBAGLBSA-N 322.387 -0.909 30 20 DBED Cn1c(N[C@@H]2CCCC23OCCO3)c(C#N)c(=O)n(C)c1=O 882627711 SQBMUOIYYGLPKE-SNVBAGLBSA-N 306.322 -0.337 30 20 DBED C#CCNCC(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 912401065 JURGIGNXJLTJOH-UHFFFAOYSA-N 300.318 -0.100 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NN1C(=O)[C@@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C1=O 913768147 XEUZBFJWDNYOIL-NGFXDRFKSA-N 318.329 -0.063 30 20 DBED C#CCN[C@@H]1CN(C(=O)C2(n3cnnn3)CCOCC2)C[C@H]1C 939291173 BNGNQKDBVZDRKO-CHWSQXEVSA-N 318.381 -0.752 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CN2CCN(C)C(=O)C2)[C@H](C)C1 942201448 WARLPMISHRUNHU-HUUCEWRRSA-N 320.437 -0.390 30 20 DBED C=CCCN1CC[C@H](NC(=O)CN2CCNC(=O)C2)[C@H](C)C1 942560355 OMPYHDYWVDLFIA-KGLIPLIRSA-N 308.426 -0.179 30 20 DBED C=CCN1C[C@H]2CCN(C(=O)Cn3ncn(C)c3=O)CC[C@H]2C1 946654146 ZQBHQPFWWCYIRR-OKILXGFUSA-N 319.409 -0.062 30 20 DBED C=CCn1cc(C(=O)N2CC[C@@H]2CNC(=O)[C@@H]2CCCO2)nn1 948885380 LDUFMLAEGBPAKL-YPMHNXCESA-N 319.365 -0.026 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]1CNC(=O)c1ccc(=O)n(C)n1 952185750 YQIIUOGCWXSWBI-UWVGGRQHSA-N 303.322 -0.729 30 20 DBED CN(C(=O)c1cc(C#N)c[nH]1)C1CN(C(=O)c2cn(C)nn2)C1 953990153 NNGCBHVZRXIWHC-UHFFFAOYSA-N 313.321 -0.389 30 20 DBED C[C@@H]1CCN(C(=O)C(=O)N(C)C2CN(C(=O)C#CC3CC3)C2)C1 955385319 WFSUYOCSYRRFJS-GFCCVEGCSA-N 317.389 -0.063 30 20 DBED C#CCCN1C[C@H](CNC(=O)c2ccc(C(N)=O)o2)[C@@H](O)C1 958240008 XCYUFSXFWDTVQR-QWRGUYRKSA-N 305.334 -0.576 30 20 DBED Cc1cc(C)c(C(=O)NC[C@@H]2CN(CC#N)C[C@H]2O)c(O)n1 958300168 MAINGKVNIYNHBU-VXGBXAGGSA-N 304.350 -0.050 30 20 DBED C=CCN1CC[C@@H](NC[C@@H]2CCCCN2C(=O)C(N)=O)C1=O 960113888 HYHWAMOSYOHZJA-NWDGAFQWSA-N 308.382 -0.771 30 20 DBED C=CCCN1C[C@H]2[C@H](NC(=O)Cn3ccc(=O)n(C)c3=O)[C@H]2C1 960177007 UCBVHPSPJKQIGM-JYAVWHMHSA-N 318.377 -0.831 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1[C@@H]2CN(Cc3nncn3C)C[C@@H]12 961823122 HKWONALZFMVFOL-LPWJVIDDSA-N 317.393 -0.047 30 20 DBED N#CCN1C[C@H]2C(NC(=O)c3ccnc(-n4cncn4)c3)[C@@H]2C1 963014548 GBMNJDFTWOJULV-VXGBXAGGSA-N 309.333 -0.154 30 20 DBED CO[C@@H](C)C(=O)N1CCOC[C@@H]1CNC(=O)c1ccc(C#N)[nH]1 964159786 DYMGUJGMTCPJCE-JQWIXIFHSA-N 320.349 -0.122 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CN(C(=O)[C@H]3CCN(C)C3)CCO2)C1 965383616 YNZNTFUVNQZODL-OLZOCXBDSA-N 320.393 -0.462 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(C[C@H](NC(=O)[C@@H]3[C@H]4COC[C@H]43)CO2)C1 965775878 MFRDHNGJGBIJJL-JZRPKSSGSA-N 319.361 -0.475 30 20 DBED CC#CCN1CC[C@H](C)[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 966165655 GYYZUQBERKTHBU-RYUDHWBXSA-N 318.381 -0.773 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CSC)C[C@@H]1O 970702444 RMAQLJRCHBOFLJ-WYUUTHIRSA-N 314.407 -0.372 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)[C@@H]3CCC(=O)N3C)[C@H]2C1 976987652 BKQSGCVBLSGLNL-IIEKFROSSA-N 304.350 -0.660 30 20 DBED C=CCN[C@H]1C[C@@H](C)N(C(=O)CN2CCCS2(=O)=O)C1 988928298 NMBHKISQPSIKBX-NEPJUHHUSA-N 301.412 -0.213 30 20 DBED Cn1ccc(CC(=O)N2CC(NC(=O)c3ccc(C#N)[nH]3)C2)n1 990888776 VUUNEFIAGMRZOJ-UHFFFAOYSA-N 312.333 -0.197 30 20 DBED Cn1nnnc1CNC1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 991219903 FSOXLMZQIVDUQI-UHFFFAOYSA-N 314.353 -0.196 30 20 DBED C#CCN1CC[C@]2(NC(=O)Cn3c(O)nnc3O)CCC[C@H]12 992444612 IFRDRXJWSGLTOF-IINYFYTJSA-N 305.338 -0.564 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CN[C@H]2CCC(=O)NC2=O)CC1 997622760 DSGSOEDFIUAOOG-PWSUYJOCSA-N 306.366 -0.221 30 20 DBED COCCn1nc(C(=O)N(C)C2CC(NCC#N)C2)ccc1=O 999077902 WBLFIDKPOIOXBL-UHFFFAOYSA-N 319.365 -0.394 30 20 DBED C#CCN[C@H]1CCCN(C(=O)C[C@@]2(C)CCS(=O)(=O)N2)C1 1000789712 OTGUHLRMFINCDN-GXTWGEPZSA-N 313.423 -0.328 30 20 DBED C[C@@H]1CCN(C(=O)C(N)=O)C[C@@H]1NC(=O)c1ccc(C#N)[nH]1 1004730513 FAOWOGFSVOAKIO-KCJUWKMLSA-N 303.322 -0.662 30 20 DBED C[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1NC(=O)C(N)=O 1005209164 YOFFPYJQDWWDHT-GZMMTYOYSA-N 303.322 -0.662 30 20 DBED C[C@H](C#N)C(=O)N1CC([C@@H](C)NC(=O)c2cn(C)c(=O)cn2)C1 1006571007 VXCCIAGTOIXIGB-NXEZZACHSA-N 317.349 -0.483 30 20 DBED C=CC(C)(C)C(=O)N1CC([C@H](C)NC(=O)c2nnn(C)n2)C1 1006638689 FVIONWVBVUYPKH-VIFPVBQESA-N 306.370 -0.001 30 20 DBED COCCN1C[C@@H](C(=O)N[C@@H]2CCCN(CC#N)C2)CC1=O 1007447524 HWUDLDOAENWVRL-QWHCGFSZSA-N 308.382 -0.415 30 20 DBED N#CCN1CCC[C@@H](NC(=O)CN2CCCS2(=O)=O)C1 1007462947 HTWJUPHGUYMQMA-LLVKDONJSA-N 300.384 -0.874 30 20 DBED CN(C)C(=O)Cn1cc(C(=O)N[C@H]2CCCN(CC#N)C2)nn1 1009632947 FSGYJEWUKXLSMB-NSHDSACASA-N 319.369 -0.916 30 20 DBED C[C@H]1C[C@@H](CNC(=O)c2ccc(C#N)[nH]2)CN1C(=O)C(N)=O 1010285777 UDBOXPDVXGEEHQ-IUCAKERBSA-N 303.322 -0.662 30 20 DBED C=C(Cl)CN[C@H]1CCN(C(=O)[C@@H]2CCN(C)S2(=O)=O)C1 1019498691 NLEJFIHVJALZPD-QWRGUYRKSA-N 321.830 -0.037 30 20 DBED C[C@H](C#N)C(=O)N1CCCO[C@@H](CNC(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1019646929 VQJLABBRVNWTBR-BJJPWKGXSA-N 321.377 -0.228 30 20 DBED C#CCCN1[C@H]2CC[C@H]1CC(NC(=O)Cn1ncn(C)c1=O)C2 1021304961 NFBRVZKEZSBWAZ-KBPBESRZSA-N 317.393 -0.283 30 20 DBED N#CCOc1ccc(CN[C@H]2C[C@@H](NC(=O)C(N)=O)C2)cc1 1022633380 IJVRBNXZVGTGOC-TXEJJXNPSA-N 302.334 -0.189 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC3(F)F)C[C@H]2O)c1 1023327711 RWWBRKAPSMEOQZ-FBIMIBRVSA-N 324.287 -0.157 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)c3cc[nH]n3)C[C@H]2O)[nH]1 1023428983 JYFNAPBNXWFBDT-VXGBXAGGSA-N 314.305 -0.775 30 20 DBED CC#CCN1CC(NC(=O)c2cn(C[C@H]3CCOC3)nn2)C1 1031164636 NBIGLPMHAKVIHW-GFCCVEGCSA-N 303.366 -0.248 30 20 DBED C=CCN1CC[C@@H](N(CC)C(=O)[C@@H]2CCS(=O)(=O)N2)C1 1034044067 JNYVBQIUASREBC-NEPJUHHUSA-N 301.412 -0.213 30 20 DBED C#CCCN1CCCC[C@H](NC(=O)Cn2c(O)nnc2O)C1 1034510344 IDQKUNWESCSNAT-NSHDSACASA-N 307.354 -0.317 30 20 DBED CC(=O)N1CCO[C@H](C(=O)N2CCC3(CC2)CN(CC#N)C3)C1 1035844744 MXSCQOGGDCUOJW-AWEZNQCLSA-N 320.393 -0.318 30 20 DBED CC(C)C#CC(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1039665869 UVVKKQDXPYQCJZ-RPCCPQHDSA-N 320.389 -0.382 30 20 DBED C=C(C)CCC(=O)NC[C@@]1(O)CCN(C(=O)[C@H]2CCNC2=O)C1 1040047959 OXPKFEJDCIWZFM-LRDDRELGSA-N 323.393 -0.442 30 20 DBED Cc1nc(C(=O)N[C@@H]2CN(c3ccnc(C#N)n3)C[C@H]2O)co1 1040990694 VEFAXDGAHMAYBO-MWLCHTKSSA-N 314.305 -0.376 30 20 DBED C=CCn1cc(C(=O)N2CC(O)(CNC(=O)C3CCC3)C2)nn1 1041113353 WRSWETQUTXVWDT-UHFFFAOYSA-N 319.365 -0.433 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)CNC(=O)C2CC2)C1 1041952405 RMXQEDHXSMVQQC-UHFFFAOYSA-N 309.366 -0.832 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)c2ccc(C)nn2)C1 1042039827 IWTQLJMTPKVTJV-UHFFFAOYSA-N 320.349 -0.709 30 20 DBED N#Cc1c[nH]c(C(=O)NCC2(O)CN(C(=O)c3cc[nH]c3)C2)c1 1042403666 NARJRNIUYKWSMA-UHFFFAOYSA-N 313.317 -0.169 30 20 DBED CC(C)(F)C(=O)N1CC(O)(CNC(=O)c2c[nH]c(C#N)c2)C1 1042666920 QHBWFPHHLVQTBH-UHFFFAOYSA-N 308.313 -0.062 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)c2cccnn2)C1 1042799870 WYJMDROIDLWINH-UHFFFAOYSA-N 302.334 -0.417 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(O)CN(C(=O)[C@H](O)C(C)C)C1 1042807460 TXRFKMZLOSJVMQ-TZMCWYRMSA-N 314.382 -0.980 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(O)(CNC(=O)C#CC(C)C)C1 1042941858 UQVMCTMTXIILKA-KGLIPLIRSA-N 320.389 -0.074 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)CN2CCCC2)C1 1043128510 XENJTRYREPODPO-UHFFFAOYSA-N 309.410 -0.016 30 20 DBED CN(C(=O)[C@H]1CNC(=O)N1)C1CN(CC#Cc2ccccc2)C1 1043707605 DDIMTOXZVLYBCL-OAHLLOKOSA-N 312.373 -0.138 30 20 DBED C=CCCCC(=O)N1CC(O)(CNC(=O)[C@H]2CC[C@@H]2C(N)=O)C1 1044444931 WXADNBJCONIHRK-RYUDHWBXSA-N 323.393 -0.456 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)[C@@]23CCCN(CC2)C3)C1 1045545945 FCMGTURTCJVTQY-WFASDCNBSA-N 320.393 -0.679 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)c2cn(C)c(O)n2)C1 1045731354 KOMSZPCMTVMLCD-UHFFFAOYSA-N 320.349 -0.768 30 20 DBED C=C1CCC(C(=O)NCC2(O)CN(C(=O)CC(=O)NC)C2)CC1 1045768676 MMILYNKXPDRNQV-UHFFFAOYSA-N 323.393 -0.442 30 20 DBED C[C@H](C(N)=O)N1CC[C@@H](N2CCN(C(=O)C#CC3CC3)CC2)C1 1046027151 IMODSQVHDVPURG-UKRRQHHQSA-N 318.421 -0.508 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCS2(=O)=O)C1 1047633747 KLZHXJOGFFXPED-AVGNSLFASA-N 314.407 -0.910 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)COCCOC)C1 1048566530 SFYAPLSSMBOIEY-STQMWFEESA-N 314.382 -0.354 30 20 DBED CC(C)[C@@H](C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)C#N)C1)N(C)C 1049402781 XWGRLTRXLDIFFN-XUXIUFHCSA-N 324.425 -0.238 30 20 DBED Cn1cc(C(=O)N2CC3(CCN(CC#N)CC3)C2)n(C)c1=O 1050768424 SIUYBNWKNYVRHJ-UHFFFAOYSA-N 303.366 -0.215 30 20 DBED C=CCN1CCOC[C@@H]1CNC(=O)c1nc(O)nc(O)c1OC 1051210694 YRQODWULYFRFET-VIFPVBQESA-N 324.337 -0.487 30 20 DBED C[C@@H](C(=O)N1CC[C@@H](N2CCN(CC#N)CC2)C1)n1cncn1 1052017159 DROUQUDRXJIWDI-UONOGXRCSA-N 317.397 -0.419 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](C)[C@H](CNC(=O)Cn2cnnn2)C1 1052529041 HUTRQKQXAKMEHZ-CHWSQXEVSA-N 318.381 -0.457 30 20 DBED C#CCN1CC2(C1)CN(C(=O)[C@]1(C)CCC(=O)NC1)CCO2 1053389147 IYLLEAYIAPOFOZ-OAHLLOKOSA-N 305.378 -0.551 30 20 DBED N#CCN1CC2(CC[C@H](CNC(=O)c3cncnc3O)O2)C1 1053615328 JJCJDDZULXVYFC-SNVBAGLBSA-N 303.322 -0.331 30 20 DBED C#CCN1CC2(CC[C@H](CNC(=O)[C@@H]3CCC(=O)N(C)C3)O2)C1 1053701303 RKVLCVBOFNAUJS-ZIAGYGMSSA-N 319.405 -0.162 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1NCC(=O)N1CCOCC1 1054637073 LTKMHHFWZDPYIE-HIFRSBDPSA-N 319.405 -0.305 30 20 DBED CCOCC(=O)N1CCC[C@](CO)(NC(=O)C#CC2CC2)C1 1055936876 MXUYGFZUGJYAKK-INIZCTEOSA-N 308.378 -0.094 30 20 DBED N#Cc1nccc(N2C[C@H]3[C@H](NC(=O)c4cc[n+]([O-])cc4)[C@H]3C2)n1 1056100307 NPKMPTAXMPNJDA-JYAVWHMHSA-N 322.328 -0.154 30 20 DBED N#Cc1nccc(N2C[C@H]3[C@H](NC(=O)[C@H]4COCCO4)[C@H]3C2)n1 1056133446 AEPCODZTGDHKCK-DEKYYXRVSA-N 315.333 -0.686 30 20 DBED C[C@H](C(=O)N1CC[C@@H](N=c2cc[nH]cc2C#N)C1)S(C)(=O)=O 1056816709 MKFSUGGQKONTKB-ZYHUDNBSSA-N 322.390 -0.179 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)[C@H]1CC1(F)F 1057193243 CBFSUBWGYVHBEG-SNVBAGLBSA-N 306.309 -0.219 30 20 DBED C=CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)Cc1cc[nH]n1 1057258508 GTGRLXLBSQVXKZ-LBPRGKRZSA-N 324.381 -0.520 30 20 DBED C=CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)c1[nH]cnc1C 1057923721 ZYMIBWRGWURCDI-LBPRGKRZSA-N 324.381 -0.140 30 20 DBED CC(C)C#CC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1CCNC1=O 1061568701 OJKVKXAOYQRQNR-QWHCGFSZSA-N 321.377 -0.875 30 20 DBED C[C@H](Nc1ccc(C#N)nn1)[C@H]1CCCN(C(=O)C(N)=O)C1 1063904836 QQTXKTWWHCWIPT-UWVGGRQHSA-N 302.338 -0.127 30 20 DBED COc1nc(C(=O)N2CCO[C@H](CNC(=O)[C@@H](C)C#N)C2)co1 1065381035 ZACCTECDGXDHTJ-VHSXEESVSA-N 322.321 -0.200 30 20 DBED C#Cc1cncc(C(=O)N2CCO[C@H](CNC(=O)COC)C2)c1 1065596169 OGMZJWWKCFVEAM-CQSZACIVSA-N 317.345 -0.334 30 20 DBED C[C@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@H]1N=c1cc[nH]c(C#N)n1 1067161137 KVNDYLBPDVPNNW-VHSXEESVSA-N 316.365 -0.460 30 20 DBED N#Cc1cncc(N2C[C@@H]3CC[C@H](NC(=O)C(N)=O)C[C@H]3C2)n1 1068267338 QLVLTHPBNAYRKL-DCAQKATOSA-N 314.349 -0.445 30 20 DBED C=CCCC(=O)N1CC2(C1)CN(C(=O)[C@H]1CNC(=O)N1)CCO2 1068446507 YNHSRXAZLMDNHE-LLVKDONJSA-N 322.365 -0.926 30 20 DBED N#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2ccc(F)nc2)C1 1069902920 VMULYSOJAIWZAR-NEPJUHHUSA-N 315.312 -0.009 30 20 DBED C#CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2cn(C)cn2)C1 1069909847 SGKMAQHMOYGDDX-OCCSQVGLSA-N 313.365 -0.310 30 20 DBED N#CCN[C@@H]1CN(C(=O)C[C@H]2CCOC2)C[C@@H]1n1ccnn1 1070171828 LAAPFBJQPBKRJQ-UPJWGTAASA-N 304.354 -0.430 30 20 DBED CC#CCN1C[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)CC[C@H]1C 1071517187 FNWHZCQQGJTXBA-NEPJUHHUSA-N 318.381 -0.631 30 20 DBED C#CCN1C[C@@H](NC(=O)c2cnc(O)n(C)c2=O)CC[C@@H]1C 1071734865 BZMPACKCQRBEQZ-QWRGUYRKSA-N 304.350 -0.298 30 20 DBED CNC(=O)CC(=O)N1C[C@H](C)[C@H](NC(=O)CSCC#N)C1 1071963289 OMLIXRWCDPEEMA-VHSXEESVSA-N 312.395 -0.658 30 20 DBED C=CCC1(C(=O)N2C[C@H](C)[C@H](NC(=O)C(N)=O)C2)CCOCC1 1072512107 DKRNPQDSUFIMDZ-NWDGAFQWSA-N 323.393 -0.192 30 20 DBED C[C@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@@H]1NC(=O)CSCC#N 1072635029 CRTYELAHFRYCMG-UWVGGRQHSA-N 324.406 -0.528 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)c2cccn3nnnc23)C1 1073616303 USCPTNAUPPTDBZ-GFCCVEGCSA-N 314.349 -0.422 30 20 DBED C#CCN[C@H]1CCN(C(=O)[C@@H]2CCc3nnc(O)n3C2)[C@H]1C 1074718441 QUPBQUGTMGNLOQ-TUAOUCFPSA-N 303.366 -0.242 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)Cc1ccoc1 1076249622 SKURPKJGIUKIJM-LBPRGKRZSA-N 319.361 -0.027 30 20 DBED N#CCN1C[C@@H]2CCN(C(=O)C3CC4(C3)NC(=O)NC4=O)[C@@H]2C1 1076350586 FIOOTLRGPLGKCS-BFVXHGPNSA-N 317.349 -0.969 30 20 DBED C#CCOCCC(=O)NCC[C@H](C)NC(=O)[C@H]1CCNC(=O)C1 1076503921 CJAPJHMEJABGSO-STQMWFEESA-N 323.393 -0.437 30 20 DBED CC(=O)Nc1c[nH]c(C)c1C(=O)N[C@@H]1CN(CC#N)C[C@H]1O 1077268432 WMYQDPUZFGHZEI-VXGBXAGGSA-N 305.338 -0.420 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)c2cc(=O)c(OC)co2)C1 1077389177 NJGMMCCQTAXUHE-ZYHUDNBSSA-N 306.318 -0.553 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2ncoc2-c2ccon2)C1 1078016057 XEHGLLGMQOCFRM-NXEZZACHSA-N 303.278 -0.372 30 20 DBED C[C@@H](CCNC(=O)C1(C(N)=O)CC1)NC(=O)c1c[nH]c(C#N)c1 1078111614 GQWXMKGLWCABPS-VIFPVBQESA-N 317.349 -0.224 30 20 DBED Cc1sc(=O)n(CC(=O)N[C@@H]2CN(CC#N)C[C@H]2O)c1C 1078229512 MEVFTONFCILHCA-GHMZBOCLSA-N 310.379 -0.788 30 20 DBED C#CCN[C@H]1C[C@H](NC(=O)CN2CC(=O)NC2=O)C12CCC2 1078749332 LVOJQDBWWCZQQR-QWRGUYRKSA-N 304.350 -0.812 30 20 DBED C#CCN[C@H]1C[C@H](NC(=O)c2cn(C)c(=O)n2C)C12CCC2 1078823028 IPQZZKAYHRZBMY-STQMWFEESA-N 302.378 -0.012 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)C2=COCCO2)C1 1079248592 FIPZDURXLBBCSX-LBPRGKRZSA-N 322.361 -0.028 30 20 DBED C[C@@H](C#N)C(=O)NC1(CO)CCN(C(=O)c2ccnnc2)CC1 1080982106 TWXCICZMGREBAL-NSHDSACASA-N 317.349 -0.280 30 20 DBED C[C@@H](C#N)C(=O)NC1(CO)CCN(C(=O)CCN(C)C)CC1 1080982192 VQRGINCFKONZSS-LBPRGKRZSA-N 310.398 -0.433 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)C2(NC(N)=O)CC2)C[C@H]1O 1081336286 WKXHTUATNGAAEZ-WDEREUQCSA-N 324.381 -0.911 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)Cc2cnc[nH]2)C[C@@H]1O 1081338879 XVNZLHIDWYRTKH-AAEUAGOBSA-N 306.366 -0.146 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)Cc2ncc[nH]2)C[C@@H]1O 1081343920 JQJBZRQFXJGVTR-NEPJUHHUSA-N 322.365 -0.910 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2nc[nH]n2)C1 1081652616 DERQVBLKPOSMOR-MNOVXSKESA-N 305.338 -0.843 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2(C(N)=O)CC2)C1 1081721126 GVWQJJVHNAORAZ-WDEREUQCSA-N 323.393 -0.600 30 20 DBED NC(=O)NCCC(=O)NC[C@@H]1CCCCN1C(=O)C#CC1CC1 1082065647 GLQUPASTWRWIID-ZDUSSCGKSA-N 320.393 -0.045 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)Cn1ccc(C)cc1=O 1083210087 KLDNYYLNNSTCBX-LSDHHAIUSA-N 315.373 -0.298 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)c2cnn(CCOC)c2C)C1 1083458458 PDXZRBGLKLFMMB-KGLIPLIRSA-N 308.382 -0.201 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CCN(CC(N)=O)C[C@H]21 1084353330 FWMPOGHNONOLHQ-SYQHCUMBSA-N 307.394 -0.014 30 20 DBED CC(=O)N1CCOC[C@@H]1C(=O)NC[C@H]1CC[C@@H](NCC#N)C1 1086878800 FNKYOOMSYPQFHO-BFHYXJOUSA-N 308.382 -0.368 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)CN2CCN(C)C(=O)C2)[C@H]1C 1088675394 NYNNORZLUGFHNK-KGLIPLIRSA-N 308.426 -0.085 30 20 DBED N#CCN1CC[C@H](NC(=O)Cc2cn3c(n2)CCCC3)[C@H](O)C1 1090279755 OWTKHWJHFNXVPI-UONOGXRCSA-N 317.393 -0.163 30 20 DBED COCCn1ccc(C(=O)N[C@@H]2CCN(CC#N)C[C@@H]2O)n1 1090424097 WGWRXNQYVAZYRQ-YPMHNXCESA-N 307.354 -0.782 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CN(c2nccn3nnnc23)C[C@H]1C 1090687997 QOPBVFNBQVDGLF-IVZWLZJFSA-N 300.326 -0.380 30 20 DBED CCNC(=O)CC(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@@H]1O 1091095654 XXMOECVSFLCPGA-YPMHNXCESA-N 317.349 -0.855 30 20 DBED COCCC(=O)N[C@@H]1CCN(c2nc(C)cc(C#N)n2)C[C@@H]1O 1092132554 VETZTGSEPSJBQB-OLZOCXBDSA-N 319.365 -0.251 30 20 DBED N#Cc1cnc(N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)CC(N)=O)cn1 1092954982 KKNCTHLVEMPJDP-MXWKQRLJSA-N 300.322 -0.550 30 20 DBED CC(=O)NCC(=O)N1CCN(c2nc(C)cc(C#N)n2)CC1 1093131884 SUACJYRTEXFMKP-UHFFFAOYSA-N 302.338 -0.559 30 20 DBED Cc1ccnc2nc(C(=O)NCCNc3ccc(C#N)nn3)nn12 1093611094 HWJZJWDZQCMMGW-UHFFFAOYSA-N 323.320 -0.064 30 20 DBED C#Cc1ccc(C(=O)NCCNc2ncnc3c2nnn3C)cn1 1093766871 YKMLWLLYSRRIKI-UHFFFAOYSA-N 322.332 -0.024 30 20 DBED N#Cc1nc(=NCCNC(=O)[C@@H]2CCc3ncncc3C2)cc[nH]1 1093935461 WQMPDGOSULXMJC-LLVKDONJSA-N 323.360 -0.107 30 20 DBED N#Cc1cnc(NCCNC(=O)[C@H]2CCCN(C(N)=O)C2)cn1 1093992969 WBBPWBQJQDXLLV-JTQLQIEISA-N 317.353 -0.333 30 20 DBED C=CCN1CC(n2cc(CNC(=O)c3ccc(O)nn3)nn2)C1 1094271249 QNKJSQPYQQGQLO-UHFFFAOYSA-N 315.337 -0.254 30 20 DBED CCn1cc(CC(=O)NCCNc2ccc(C#N)nn2)nn1 1094281426 HGKOFZGADFACND-UHFFFAOYSA-N 300.326 -0.270 30 20 DBED C=CCN1CC(n2cc(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])nn2)C1 1094290471 DDQOTBLHVSQTKW-VXGBXAGGSA-N 306.326 -0.398 30 20 DBED N#Cc1nccnc1NCCCNC(=O)CCn1ccnn1 1094405351 SSKRTOHWLRIRAC-UHFFFAOYSA-N 300.326 -0.052 30 20 DBED C#CCO[C@H](C)C(=O)NCCCN=c1cc[nH]c(C(=O)OC)n1 1094594277 CSWMASUTVAPBQE-LLVKDONJSA-N 320.349 -0.358 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)c3cnn(C)c3N)CC2=O)C1 1094727445 MKKSAMJJLXGJJN-JTQLQIEISA-N 318.381 -0.797 30 20 DBED CC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C[C@@H]1NC(=O)NC1=O 1095554766 YRUKKQIPBJKNKM-RHYQMDGZSA-N 304.350 -0.671 30 20 DBED CN1CC[C@@H](C(=O)NCCCN(C)c2nccnc2C#N)C1=O 1095701655 RJRGDBWJMCVDKZ-NSHDSACASA-N 316.365 -0.231 30 20 DBED CC(=O)N(C)CC(=O)N[C@H]1CCN(c2nc(C)cc(C#N)n2)C1 1096329432 PDCCTZVNRRFBES-LBPRGKRZSA-N 316.365 -0.170 30 20 DBED CNC(=O)NCC(=O)N1CC[C@H](Nc2ccc(C#N)nn2)C1 1096979958 LRMMJVMGMXODIP-JTQLQIEISA-N 303.326 -0.710 30 20 DBED N#Cc1nc(=N[C@H]2C[C@H](NC(=O)CCn3cncn3)C2)cc[nH]1 1096988352 BZYJDKXCOLAXPK-XYPYZODXSA-N 312.337 -0.489 30 20 DBED CCn1cc(C(=O)NC[C@H](C)N=c2cc[nH]c(C#N)n2)nn1 1098016487 WAXIBDZQYSJWIP-VIFPVBQESA-N 300.326 -0.388 30 20 DBED C[C@H](CNC(=O)[C@@]1(C)CCNC1=O)Nc1cncc(C#N)n1 1098261882 UTYCQVVVMBZGAL-OTYXRUKQSA-N 302.338 -0.209 30 20 DBED C=CCNC(=O)CNCc1cn([C@@H]2CCN(C(=O)CC)C2)nn1 1098587856 AVHAWMQMXKPMDZ-CYBMUJFWSA-N 320.397 -0.147 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(Cc2csnn2)C[C@H]1O 1099741599 WAEWVIQBQUGHKD-NWDGAFQWSA-N 312.395 -0.208 30 20 DBED Cc1nnc(CC(=O)NCCN(C)c2ccnc(C#N)n2)o1 1100052211 FPKRFMINOLZAJT-UHFFFAOYSA-N 301.310 -0.165 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)c2cn(CC)nn2)[C@H](O)C1 1100053184 LKMMTGDFILZQOR-GXTWGEPZSA-N 323.397 -0.334 30 20 DBED C#CCN1CC[C@@H](NC(=O)COCc2cccnc2)[C@@H](O)C1 1100090325 SDUSCIXIOUKYMS-CABCVRRESA-N 303.362 -0.217 30 20 DBED CC(=O)NCCOCCNC1CC(CNC(=O)[C@H](C)C#N)C1 1100196159 APXDOSSDFXCFPR-LMWSTFAQSA-N 310.398 -0.217 30 20 DBED CS(=O)(=O)CC(=O)NC[C@H]1CCCN1c1ccnc(C#N)n1 1100801505 RJGHTIKULQJYHZ-SNVBAGLBSA-N 323.378 -0.522 30 20 DBED COCC#CCN1C[C@@H](C)[C@H](CNC(=O)Cc2n[nH]c(C)n2)C1 1101955740 DTUAYRYZSIJFCS-TZMCWYRMSA-N 319.409 -0.010 30 20 DBED CCN(C(=O)CC(=O)NC)[C@H]1CCN(c2nccnc2C#N)C1 1102795546 HHLFNHIAXFNULL-NSHDSACASA-N 316.365 -0.088 30 20 DBED CC[C@@H](CNC(=O)C[C@H](C)NC(N)=O)N=c1cc[nH]c(C#N)n1 1103196438 QODJXFPJRPLHIW-UWVGGRQHSA-N 319.369 -0.476 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1CCNC(=O)Cn1c(O)nnc1O 1103679170 IEUCISZPKAAEHD-NXEZZACHSA-N 308.342 -0.713 30 20 DBED COC(=O)NCC(=O)N(C)CCN(C)c1ccnc(C#N)n1 1105355117 FIKSCYZUFNGJIQ-UHFFFAOYSA-N 306.326 -0.401 30 20 DBED N#Cc1nccnc1NC[C@@H](O)CNC(=O)CC1OCCCO1 1105810002 LQUOPCVGKVVHET-JTQLQIEISA-N 321.337 -0.610 30 20 DBED Cc1nc[nH]c1CC(=O)NC[C@@H](O)CNc1nccnc1C#N 1105920514 HMWPGFVQMQOUAF-SNVBAGLBSA-N 315.337 -0.489 30 20 DBED COCCO[C@@H](C)C(=O)NC[C@H](O)CN=c1cc[nH]cc1C#N 1105963256 OSLCWPASTSMWDQ-WCQYABFASA-N 322.365 -0.684 30 20 DBED Cc1n[nH]cc1C(=O)NC[C@@H](O)CN=c1cc[nH]cc1C#N 1106062903 OCHUESXJKLYDQJ-NSHDSACASA-N 300.322 -0.391 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)Cc2cnc[nH]2)C[C@H]1C 1106704779 CHHUDTVOTJVJGF-CHWSQXEVSA-N 317.393 -0.614 30 20 DBED C#CCOCCC(=O)NCc1cn(C2CN(C[C@H](C)O)C2)nn1 1107171331 SOWCGBRZVYODJT-LBPRGKRZSA-N 321.381 -0.828 30 20 DBED CC#CCN1CC(n2cc(CNC(=O)CC(=O)N(C)C)nn2)C1 1107219278 OTUOIWLEFACFKH-UHFFFAOYSA-N 318.381 -0.747 30 20 DBED C[C@H](CC(=O)NC/C=C/CNc1nccnc1C#N)NC(N)=O 1107350757 JDWWWMILXQJSAS-VMZHVLLKSA-N 317.353 -0.121 30 20 DBED C[C@@]1(C(=O)NC/C=C\CNc2nccnc2C#N)CCNC1=O 1107508718 OAGVRPFZOFWILL-GWQWAINWSA-N 314.349 -0.041 30 20 DBED C#CCNC(=O)CN1CCO[C@@](C)(CNC(=O)CSC)C1 1107718249 CUEMGWBCJJAHMA-AWEZNQCLSA-N 313.423 -0.694 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)C[C@@H]1CCN(C)C1=O 1107981298 NCQAUQFAPZLYCN-MNOVXSKESA-N 316.365 -0.445 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)[C@]2(C)CCNC(=O)C2)C1 1108024540 MIMXBGGMYPWOBS-HZPDHXFCSA-N 307.394 -0.257 30 20 DBED CCNC(=O)CCCC(=O)N[C@@H](C)CN=c1cc[nH]c(C#N)n1 1108465297 PRJCVPXFHAKPQG-NSHDSACASA-N 318.381 -0.007 30 20 DBED C[C@@H](CNc1ccc(C#N)nn1)NC(=O)[C@H]1CCN(C)C1=O 1108647217 PQJDILRYVJTQBR-GXSJLCMTSA-N 302.338 -0.257 30 20 DBED C[C@@H](CNc1ncc(C#N)cc1F)NC(=O)[C@@H]1CNC(=O)N1 1108669087 MIIJNPCINNMIHD-XVKPBYJWSA-N 306.301 -0.310 30 20 DBED Cc1cc(N(C)C[C@H](C)NC(=O)Cn2cnnn2)c(C#N)cn1 1108851454 YKEFQKAHCFRVKX-NSHDSACASA-N 314.353 -0.111 30 20 DBED CC(=O)N[C@@H](C)C(=O)N[C@H](CN=c1cc[nH]c(C#N)n1)C1CC1 1109750856 OSBDCNHJVIHMKQ-JOYOIKCWSA-N 316.365 -0.399 30 20 DBED CCCOCC(=O)NC[C@@]1(O)CCN(c2cncc(C#N)n2)C1 1111038073 RDZDAQWKZQFGRU-HNNXBMFYSA-N 319.365 -0.168 30 20 DBED C=CCOCC(=O)NC[C@]1(O)CCN(c2ncc(F)cn2)C1 1111039324 DMGQAXGVEAHZOG-CQSZACIVSA-N 310.329 -0.124 30 20 DBED COC[C@@H](C)C(=O)NC[C@@]1(O)CCN(c2ccc(C#N)nn2)C1 1111043486 GLLGPKNNQFYWSV-ABAIWWIYSA-N 319.365 -0.312 30 20 DBED Cc1nc(N2CCC[C@@](CO)(NC(=O)C(N)=O)C2)ccc1C#N 1111363982 JKPSZOWNIRYVOZ-OAHLLOKOSA-N 317.349 -0.806 30 20 DBED C[C@@H]1CN(C(=O)CNC(N)=O)CC2(CCN(CC#N)CC2)O1 1111535483 OPDDCGXTJAMXTL-LLVKDONJSA-N 309.370 -0.740 30 20 DBED C[C@H](NC(N)=O)C(=O)N(C)CCCN(C)c1cncc(C#N)n1 1112069113 HQKCTBIQRAQLKP-JTQLQIEISA-N 319.369 -0.310 30 20 DBED CNC(=O)NCCC(=O)N[C@@H](C)[C@@H](C)Nc1ccc(C#N)nn1 1113002226 TXCYLKUGOKJOOC-ZJUUUORDSA-N 319.369 -0.028 30 20 DBED C[C@H](N=c1cc[nH]c(C#N)n1)[C@@H](C)NC(=O)c1cc(=O)n(C)o1 1113009742 OLXDKHZDURSDEJ-DTWKUNHWSA-N 316.321 -0.319 30 20 DBED C=CCOCCN1CCN(C(=O)CCN2C(=O)CCC2=O)CC1 1113080736 MRXUZXMBYLVTTA-UHFFFAOYSA-N 323.393 -0.128 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCCC(=O)N1)N(C)c1ccc(C#N)nn1 1113750129 ZFIFBFASQFZOQE-CMPLNLGQSA-N 316.365 -0.042 30 20 DBED N#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)CC[C@H]3CCOC3)[C@H]2C1 1114134136 JGBHABIQGDWGIO-BCUIYNNISA-N 320.393 -0.511 30 20 DBED N#Cc1nccnc1N1C[C@H]2[C@H](CNC(=O)Cc3nc[nH]n3)[C@H]2C1 1114571046 BUVPCHSYIBMWKE-RTCCRHLQSA-N 324.348 -0.493 30 20 DBED C=CCOCCN1C[C@H]2C(NC(=O)CCc3cnn(C)n3)[C@@H]2C1 1114843014 GLGHDAIKLYDCQZ-ZIAGYGMSSA-N 319.409 -0.003 30 20 DBED Cc1cc(NC(=O)C(=O)N2C[C@@H](O)[C@H](C)C2)n(CCC#N)n1 1116473899 SIHPBZPOFGBVPR-MWLCHTKSSA-N 305.338 -0.117 30 20 DBED C[C@H](Cn1cccn1)NC(=O)C(=O)NC1CCN(CC#N)CC1 1116951179 YSKDXSJUAQVOHP-GFCCVEGCSA-N 318.381 -0.508 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)NCc1ccc(NC(C)=O)nc1 1117523228 KGQQCPYUYZNFRR-GFCCVEGCSA-N 320.349 -0.027 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)CCn2cncn2)cn1 1121067530 NQVYFKNGXXGLHQ-CYBMUJFWSA-N 315.337 -0.476 30 20 DBED CNC(=O)CCCC(=O)NC[C@H](CO)Nc1ccc(C#N)nn1 1121463862 IHELJNSALFBKRC-LLVKDONJSA-N 320.353 -0.846 30 20 DBED CC(C)N(C)CC(=O)NC[C@H](CO)Nc1ccc(C#N)nn1 1121667685 CRKPIDYCKFMIAF-GFCCVEGCSA-N 306.370 -0.423 30 20 DBED CNC(=O)C1(C(=O)NC[C@@H](CO)Nc2ccc(C#N)nc2)CC1 1121756593 GWQLDKCQNHINQI-LBPRGKRZSA-N 317.349 -0.632 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H](CO)CNC(=O)[C@]1(F)CCOC1 1122411502 QJTXBMYSLXPPQL-RISCZKNCSA-N 308.313 -0.607 30 20 DBED Cc1cc(C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)ccn1 1122418847 AUQKDMLLVZOZJL-GFCCVEGCSA-N 321.358 -0.031 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)[C@@H]1CCCO1 1123159829 YRYKGRHTYVQTTI-QWRGUYRKSA-N 312.370 -0.729 30 20 DBED CN(C)S(=O)(=O)CCCNCCNC(=O)CSCC#N 1123798831 AWXZPPBNVBFPQW-UHFFFAOYSA-N 322.456 -0.770 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)C1CCOCC1 1124060098 RFIBMIUQKNCRBM-GFCCVEGCSA-N 319.365 -0.572 30 20 DBED CC(C)[C@@H](O)C(=O)N(C)C[C@H](O)CNc1nccnc1C#N 1124295504 DFTDXWOONOGIFQ-ZYHUDNBSSA-N 307.354 -0.404 30 20 DBED CN(C[C@H](O)CNc1ccc(C#N)nc1)C(=O)c1cnon1 1124466692 XNRPTTUCEQNWAE-LLVKDONJSA-N 302.294 -0.119 30 20 DBED C=CCOCCNCCNC(=O)[C@]12C[C@H]3C[C@H](C(=O)N1)[C@H]2C3 1130584771 MDUCLVRNKFVSFQ-BCUIYNNISA-N 307.394 -0.191 30 20 DBED C[C@H]1CN(C(=O)C(=O)NCC2CC2)C[C@@]2(CCN(CC#N)C2)O1 1131691973 BXRDLWMJISXKQE-LRDDRELGSA-N 320.393 -0.272 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)C(C)(C)C(N)=O)NCC(=O)NCC#N 1134657498 KVEVSMNLSPHISL-VHSXEESVSA-N 311.386 -0.989 30 20 DBED C=C(C)CN(CC)C(=O)CN[C@H](C)C[C@H](C)NC(=O)C(N)=O 1135341091 YDZGCJFMCJUNIB-NEPJUHHUSA-N 312.414 -0.231 30 20 DBED COc1ccc(C(=O)NCCNCC(=O)NCC#N)c(OC)c1 1148940693 VUFXTUKQQJYREO-UHFFFAOYSA-N 320.349 -0.337 30 20 DBED C[C@H]1C[C@@H]1C(=O)NC[C@@H]1CN(CC(=O)NCC#N)CCCO1 1150085302 MLIVBRFBXWSKHN-XQQFMLRXSA-N 308.382 -0.511 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)COc2cnn(C)c2)C1 1150179369 JXDVBJOVCDOBHJ-CYBMUJFWSA-N 306.366 -0.361 30 20 DBED C=CCCO[C@@H](C)C(=O)NCCCN[C@@H]1CCC(=O)NC1=O 1155446521 MCAPCWRMTUAKNI-NWDGAFQWSA-N 311.382 -0.131 30 20 DBED CN(CC#N)C[C@H]1CCCCN1C(=O)Cn1ccc(O)nc1=O 1158190223 DRNITAICXQOZMC-GFCCVEGCSA-N 319.365 -0.215 30 20 DBED C[C@@H](C(=O)NCCCNCC(=O)NCC#N)c1ccnn1C 1158295213 SLKDIRUCGPOQBL-LLVKDONJSA-N 306.370 -0.741 30 20 DBED CC#CCN(C)C[C@H]1CCCCN1C(=O)CN1C(=O)CNC1=O 1158837982 QVJDLYNOXLOWHV-CYBMUJFWSA-N 320.393 -0.126 30 20 DBED C=C(C)CNCC1(CCNC(=O)c2cn(CC(N)=O)nn2)CC1 1168321132 YORHNTLCZCRYFW-UHFFFAOYSA-N 320.397 -0.171 30 20 DBED C=CCNC(=O)CNCCCNC(=O)c1ccc(C(N)=O)nc1 1177419283 OFXRIJLLSZSMED-UHFFFAOYSA-N 319.365 -0.808 30 20 DBED C[C@]1(CCC(=O)NCCCNCC(=O)NCC#N)CCC(=O)N1 1177615517 ZRLYOTXVLZFYDI-HNNXBMFYSA-N 323.397 -0.829 30 20 DBED C#CCOCCC(=O)N1C[C@H]2CC[C@H]1[C@@H](CNCC(=O)NC)C2 1177753483 XYQBDGLWKXFDAX-ZNMIVQPWSA-N 321.421 -0.011 30 20 DBED COCC#CCNC[C@]1(C)CN(C(=O)C2(C(N)=O)CC2)C[C@H]1C 1182457134 XFVRIULBBCYYMZ-CZUORRHYSA-N 321.421 -0.024 30 20 DBED C#CCOCCC(=O)N1CC[C@H]2CN(Cc3nc(O)n[nH]3)C[C@H]21 1187873957 INXMKGRGSGKZMQ-NWDGAFQWSA-N 319.365 -0.417 30 20 DBED CN(CC(=O)NCC#N)[C@H]1CCN(C(=O)COCC2CC2)C1 1189048691 DHEDJCZXFXFWIT-ZDUSSCGKSA-N 308.382 -0.415 30 20 DBED Cc1nnc(CC(=O)N2CC[C@@H](N(C)CC(=O)NCC#N)C2)o1 1189964217 QKNNHBMGVMXRGY-LLVKDONJSA-N 320.353 -0.907 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2cccn2C)C1 1191034327 YYGOIONKOBSWTR-DGCLKSJQSA-N 306.366 -0.898 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN([C@@H](C)c2nncn2C)C[C@H]1O 1192762266 TYNQVFBJXOFVII-YNEHKIRRSA-N 305.382 -0.303 30 20 DBED COCC#CCN(C)[C@H]1CCN(C(=O)c2cc(C(N)=O)c[nH]2)C1 1193056424 IBAZKMHKTOEDFE-ZDUSSCGKSA-N 318.377 -0.090 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)CNC(=O)c2ccoc2C)C1 1193191133 NJVVARBBAGBDMO-ZIAGYGMSSA-N 319.361 -0.498 30 20 DBED C#CCC1(C(=O)N[C@@H]2CN([C@@H]3CCCNC3=O)C[C@H]2O)CCC1 1193685847 QCJRANFRMUSFNK-MGPQQGTHSA-N 319.405 -0.380 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C2(C3CC3)CC2)C1 1193978881 ZYECXLURXHMYFU-CHWSQXEVSA-N 307.394 -0.360 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN([C@@H]2CCCNC2=O)C[C@H]1O 1199292344 HSMKGMHTEPUVOW-JHJVBQTASA-N 311.382 -0.981 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)c2ccnn2C)CC1 1199621024 LUZAFFCTOBYKSJ-UHFFFAOYSA-N 303.366 -0.636 30 20 DBED CC(C)NC(=O)CNC[C@H]1CN(C(=O)[C@H](C)C#N)CCCO1 1200114374 CWSLGAWGDJTYMP-OLZOCXBDSA-N 310.398 -0.122 30 20 DBED C=C(C)CNC[C@H]1CN(C(=O)C2CS(=O)(=O)C2)CCCO1 1200583999 XRUYEQGDXNZADI-ZDUSSCGKSA-N 316.423 -0.186 30 20 DBED C#CCNCC1CCN(C(=O)CN2CCN(C)C(=O)C2)CC1 1205561034 DEVCYDLXMPKXCV-UHFFFAOYSA-N 306.410 -0.778 30 20 DBED C[C@@]1(C(=O)N2CCC(CNCC(=O)NCC#N)CC2)CCOC1 1206687588 BHNOEQJNZAYDPV-MRXNPFEDSA-N 322.409 -0.119 30 20 DBED Cc1cc(C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@H]2C)cnn1 1206899338 FZHVSXSQJIZJDN-ZWNOBZJWSA-N 316.365 -0.525 30 20 DBED C[C@@H]1CCN(CC(=O)N2CCC[C@H](NCC(=O)NCC#N)C2)C1 1209643633 UOYRONZIMPSNPR-KGLIPLIRSA-N 321.425 -0.451 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)[C@@H]2CC2(F)F)[C@H](OC)C1 1212219000 TWHVTLORICSOEI-HBNTYKKESA-N 317.336 -0.241 30 20 DBED CC#CCN[C@@H]1CN(C(=O)[C@@H](CCC(N)=O)NC(C)=O)C[C@H]1C 1215944273 DZZNFBYTHKGEAS-MRVWCRGKSA-N 322.409 -0.784 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H]2[C@@H](C1)OCCN2C(=O)COCC 1217242390 ORBXCVKFEZZDMQ-HZSPNIEDSA-N 323.393 -0.928 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)CCc2c(C)nc(O)nc2C)C1 1219796635 KHMOLVNTAPJIFG-KGLIPLIRSA-N 318.377 -0.474 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C2(CCF)CC2)C1 1220055163 LPFVGZMFTXXFHR-NEPJUHHUSA-N 313.373 -0.410 30 20 DBED CC1(C)CC[C@@H]1C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@@H]1O 1220178389 JGINQLVQESVQLE-UTUOFQBUSA-N 308.382 -0.776 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 1220389532 OMNBPDXGROLEIT-ZSAUSMIDSA-N 308.378 -0.635 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)CNC(=O)c2ccccc2F)C1 1220971385 GIDKCUXEYNAERM-KGLIPLIRSA-N 319.336 -0.650 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)c2cnn(C)n2)CC1 1224836029 HHXFWGCJUIMPNL-UHFFFAOYSA-N 318.381 -0.994 30 20 DBED C#CCNC(=O)CC(=O)N(C)C[C@@H]1CCN1Cc1cnsn1 1233809693 MVSCMIFJOCYGSY-LBPRGKRZSA-N 321.406 -0.290 30 20 DBED C=CCOCCN1CC[C@@H]1CN(C)C(=O)Cn1cnnc1O 1233845844 CLWYALNGKQIQAJ-GFCCVEGCSA-N 309.370 -0.281 30 20 DBED COC(=O)N(C)CCNC(=O)C(=O)N1CC[C@](F)(C#N)C1 1261618076 AQZLNTGJVAPQFD-LBPRGKRZSA-N 300.290 -0.735 30 20 DBED COCCN1CC[C@H](NC(=O)C(=O)N2CC[C@](F)(C#N)C2)C1 1322811943 QGDIERRFTPFOTM-FZMZJTMJSA-N 312.345 -0.713 30 20 DBED C#CCCCNC(=O)C(=O)N1CCC(C(=O)NCC#C)CC1 1322925842 MOGNUTYTNJGCFO-UHFFFAOYSA-N 303.362 -0.496 30 20 DBED O=C(CNC(=O)C(=O)NCC#Cc1ccccc1)NCC1CC1 1322988194 LAXONRAMVNVSID-UHFFFAOYSA-N 313.357 -0.203 30 20 DBED CCOC(=O)Cn1cnc(NC(=O)C(=O)N(CC)CCC#N)n1 1325947371 FAAQCVIXIFUMIE-UHFFFAOYSA-N 322.325 -0.458 30 20 DBED C[C@H]1CC(=O)NCCN1C(=O)C(=O)Nc1cnn(CC#N)c1 1326016710 URWCRYDJFPGGFC-VIFPVBQESA-N 304.310 -0.918 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)c2ocnc2C)CC1 1336049325 KOGKALCYHZADJM-UHFFFAOYSA-N 312.351 -0.792 30 20 DBED CC(C)(C)c1nsc(NC(=O)C(=O)NCC(=O)NCC#N)n1 1346618561 VBZYGGMPAILVKV-UHFFFAOYSA-N 324.366 -0.470 30 20 DBED COC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)C1(C#N)CCOCC1 1362988165 RCJIIVMFGJICFT-LLVKDONJSA-N 306.322 -0.070 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)NCCS(=O)(=O)C1CC1 1363943556 RKDNEACEWHTRDM-JTQLQIEISA-N 323.440 -0.120 30 20 DBED CCN(CCC#N)C(=O)CN(C)CCNC(=O)C1=COCCO1 1366506618 PNNDZEJGFRXPMD-UHFFFAOYSA-N 324.381 -0.315 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CCN(C(=O)CCc2nc[nH]n2)C1 1372072278 ZJOQTACYKDRYHS-QWRGUYRKSA-N 304.354 -0.044 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CN(C)C(=O)COc1cccnc1 1384245491 LIQRUBXGSSXUMU-VXGBXAGGSA-N 320.349 -0.444 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@@H]1CCCN(C(=O)CN2CCOCC2)C1 1387320615 HGMTWKKRLBRYOB-UONOGXRCSA-N 322.409 -0.072 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)COc1ccc(F)cc1 1399825011 GXQSNYVOHBDNBT-PWSUYJOCSA-N 323.324 -0.043 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNCc1ccc(C(N)=O)cc1 1401513503 YOVAGLBYYCYCIB-GWCFXTLKSA-N 304.350 -0.488 30 20 DBED COCC(=O)NC[C@@]1(O)CCN(C(=O)c2c[nH]c(C#N)c2)C1 1411151478 MUBMPTXGABDCPI-AWEZNQCLSA-N 306.322 -0.774 30 20 DBED CCO[C@H](C)C(=O)N1C[C@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 1414044860 RCIPJTFGTXQRGI-WQAKAFBOSA-N 320.349 -0.387 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](C1CC1)N(C)C(=O)C1(NC(N)=O)CC1 1424893356 UVPCWYCZUAPACX-MWLCHTKSSA-N 321.381 -0.300 30 20 DBED C=C(Cl)CNC[C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 1442161598 UQBWZLHNNMDRTF-LBPRGKRZSA-N 314.817 -0.391 30 20 DBED CCCn1cc(C(=O)NC[C@H](O)CNC(=O)[C@H](C)C#N)c(C)n1 1452378732 DJPUDVHOYFLKRX-ZYHUDNBSSA-N 321.381 -0.032 30 20 DBED N#Cc1ncn(CCNC(=O)N2CCN(C(=O)C3CC3)C2)n1 1470104095 QXJHYGKEBGBDFT-UHFFFAOYSA-N 303.326 -0.629 30 20 DBED C[C@@H](CCNC(=O)Cc1cnn(C)c1)NCC(=O)NCC#N 1484989546 JHQSBFHPFAQNSE-NSHDSACASA-N 306.370 -0.913 30 20 DBED CC[C@H](CNC(=O)Cc1nc[nH]n1)NC(=O)c1ccc(C#N)[nH]1 1499386421 MOFYXFDMHVRFHF-SECBINFHSA-N 315.337 -0.128 30 20 DBED C#CCCNC[C@H]1CCCN1C(=O)Cn1nc(C)n(C)c1=O 1499945979 RDVJMVDTXRVTNB-CYBMUJFWSA-N 305.382 -0.506 30 20 DBED C=CC1(CC(=O)N2CCC[C@H](NS(C)(=O)=O)C2)CNC1 1574881017 XGVANEZXGZSZMB-NSHDSACASA-N 301.412 -0.308 30 20 DBED COCCOC1CN(c2cnc(-c3nn[nH]n3)c(C#N)n2)C1 1579816872 IVFPBKASCRMOPU-UHFFFAOYSA-N 302.298 -0.620 30 20 DBED C#CC[C@H](NC(=O)CCN/C(O)=C1\N=CC=CC1=O)C(=O)O 1588405548 RHGSFNJIGVOKBO-XRNDOFNESA-N 305.290 -0.504 30 20 DBED C#CCNC(=O)CN1CCC(N(C)C(=O)[C@H]2C[C@H]2C(=O)O)CC1 1588483798 JGZBAHZAGIRHSY-QWHCGFSZSA-N 321.377 -0.621 30 20 DBED C[C@H](O)[C@H]1CN(c2cnc(-c3nn[nH]n3)c(C#N)n2)CCO1 1589996661 SIBSRENHXXSQTN-IONNQARKSA-N 302.298 -0.886 30 20 DBED CC[C@H]1NCC[C@@H]1C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[nH]1 1590526929 UUCDRENHYRTZBL-NKWVEPMBSA-N 301.314 -0.212 30 20 DBED Cn1nc(N)c2c1CN(c1cnc(-c3nn[nH]n3)c(C#N)n1)C2 1592595337 WKCZRWOJAIUBDF-UHFFFAOYSA-N 309.297 -0.636 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)NCCN(C)CC(=O)O 1596231540 PMBLIQPRFDVDHA-SNVBAGLBSA-N 306.388 -0.681 30 20 DBED N#Cc1ccnc(C(=O)N2CCC[C@H]2C(=O)NCC(=O)O)c1 1601127428 KXVLKRULQWYPNG-NSHDSACASA-N 302.290 -0.241 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@](C)(CC)C(=O)O)C1=O 1602894571 LGIMTJIKCRVWJO-CYBMUJFWSA-N 311.294 -0.667 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)[C@@H]1C[C@@H]1C(=O)O 1603700076 KEFHWMJALDSBCH-NEPJUHHUSA-N 310.350 -0.696 30 20 DBED CNC(=O)CN1CCCN(c2ccc(C(=O)O)nc2C#N)CC1 1606270598 IOVYLDYDWQIZJL-UHFFFAOYSA-N 317.349 -0.090 30 20 DBED Cn1cc(C(=O)N2CCCC[C@@H]2CNCC#N)c(O)nc1=O 1714141599 CHIRJIXJNQAKMN-SNVBAGLBSA-N 305.338 -0.406 30 20 DBED C=C(C)CCNC[C@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 1752963429 MYOBNRCDTBTHCT-GFCCVEGCSA-N 320.397 -0.219 30 20 DBED C#CCNC(=O)CN(CCNC(=O)[C@H]1C[C@H]1C(=O)OC)C1CC1 1753152858 PVFPASBKKFGNMJ-QWHCGFSZSA-N 321.377 -0.875 30 20 DBED C=C(C)CN1CCN(CCN(C)C(=O)[C@H]2CCC(=O)N2)CC1 1753344217 VOHUMTXMHDRCTB-CQSZACIVSA-N 308.426 -0.083 30 20 DBED COCC#CCN1CC(CNC(=O)c2ccc(C(N)=O)cn2)C1 1753415873 PBFUJTNFCHMWNY-UHFFFAOYSA-N 316.361 -0.508 30 20 DBED N#CCNC(=O)CNC[C@H](NC(=O)Cn1cccn1)C1CC1 1754434264 QBORKFQAZRATLT-LBPRGKRZSA-N 304.354 -0.993 30 20 DBED CC#CCN1CCC[C@@](CO)(NC(=O)[C@H]2CCCN2C(C)=O)C1 1754860736 INFJODQGMVLJDC-NVXWUHKLSA-N 321.421 -0.036 30 20 DBED C=CCN[C@]1(CO)CCCN(C(=O)CC2CS(=O)(=O)C2)C1 1755086234 PXRNYDVGZOCGCF-CQSZACIVSA-N 316.423 -0.450 30 20 DBED C=CCN[C@@H]1C[C@H](C)N(C(=O)CS(=O)(=O)CCOC)C1 1755680600 HRCOHRVZFYUKSX-NWDGAFQWSA-N 304.412 -0.187 30 20 DBED C[C@H]1C[C@@H](NCC(=O)NCC#N)CN1C(=O)c1ccc(O)nc1 1755689603 QLNLNJUUPKWANP-CMPLNLGQSA-N 317.349 -0.380 30 20 DBED CN(C[C@@H](O)CNCC#N)C(=O)CN(C)C(=O)c1cccs1 1755780478 HDUGDZDCPMLGNC-NSHDSACASA-N 324.406 -0.247 30 20 DBED C[C@H](C#N)C(=O)NCCOCCN(C)C(=O)c1cnnn1C 1756381995 WDBKQAMHQMCDFU-SNVBAGLBSA-N 308.342 -0.820 30 20 DBED C#CCOCCC(=O)NC[C@H](CO)NC(=O)c1ccc(C)nn1 1756521791 WIQZJCISOHYHNW-GFCCVEGCSA-N 320.349 -0.968 30 20 DBED C=C1CCC(C(=O)NC[C@@H](CO)NC(=O)Cn2cncn2)CC1 1756547451 HCRUYKICMKRCND-ZDUSSCGKSA-N 321.381 -0.382 30 20 DBED CNC(=O)CC(=O)N1CC[C@@H]2CN(C(=O)CSCC#N)[C@@H]2C1 1757218860 WHZDYLUSSKPPQQ-GHMZBOCLSA-N 324.406 -0.561 30 20 DBED Cn1c(CCO)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1772148218 MDUFPVIHYQOIGU-UHFFFAOYSA-N 313.365 -0.057 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CC)NC(C)=O 1792538911 SOCSOFILRKMTHP-XFMPKHEZSA-N 321.377 -0.876 30 20 DBED N#CCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cnnn1 1796296949 BUFRUQCQMYSGLO-ZSBIGDGJSA-N 317.353 -0.385 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C(\C)NC(C)=O)C2 1800455901 XIZLWQFJMPDKPY-DOFQFUKMSA-N 319.361 -0.751 30 20 DBED CN(C)CCN1C[C@@H](C(=O)N[C@]2(C#N)CCSC2)CC1=O 81024317 HBCOSGDNGBOUKV-FZMZJTMJSA-N 310.423 -0.088 30 20 DBED C#CCN1CCN(C(=O)CN2CC[C@@H](N3CCCC3)C2)CC1 81670576 OTANYFRSPNFOOU-MRXNPFEDSA-N 304.438 -0.066 30 20 DBED C#CCNC(=O)CN1CCCN(S(=O)(=O)CCCC)CC1 123547242 YCHMQPYHVGJYHG-UHFFFAOYSA-N 315.439 -0.127 30 20 DBED CCN(C[C@H](C)C#N)C(=O)Cn1c(=O)c(C#N)cn(C)c1=O 134705230 GHOBZDSXJVPJSY-SNVBAGLBSA-N 303.322 -0.573 30 20 DBED COC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(C#N)cc1 157085173 CIYQMSPLOYKKEV-JQWIXIFHSA-N 310.331 -0.145 30 20 DBED C#CC(C)(C)N(C)S(=O)(=O)c1cnc2[nH]c(=O)[nH]c(=O)c2c1 192850138 PYCRLKSSKTXYDJ-UHFFFAOYSA-N 322.346 -0.356 30 20 DBED CN1CCN(S(=O)(=O)Cc2cccc(C#N)c2)[C@@H](CN)C1 226607772 STHLMMQRFFWSGH-AWEZNQCLSA-N 308.407 -0.037 30 20 DBED N#C[C@@H]1CN(c2cc([N+](=O)[O-])ccc2S(N)(=O)=O)CCO1 272904629 MQWGRKAACXWWPZ-SECBINFHSA-N 312.307 -0.029 30 20 DBED CN(/C(O)=N/[C@H]1CCCN(S(C)(=O)=O)C1)[C@@H]1COC[C@H]1O 329249339 SYDVXDUUNZHYPE-HBNTYKKESA-N 321.399 -0.984 30 20 DBED C[C@H](O)CN1CCN(/C(O)=N/C[C@@H]2COCCO2)[C@@H](C)C1 329250301 UHACWEOXCMGTML-RWMBFGLXSA-N 301.387 -0.297 30 20 DBED CN1CCN(/C(O)=N/CCn2cncn2)C[C@@H]1c1nccn1C 329961910 OXKTWEDWJZNOMS-GFCCVEGCSA-N 318.385 -0.086 30 20 DBED CCN1CCN(CC(O)=Nc2cc(C)c(=O)n(C)c2)C(=O)C1=O 330182469 HGIVONLWJSJPGI-UHFFFAOYSA-N 320.349 -0.028 30 20 DBED C=CCOC[C@@H](NS(=O)(=O)N(C)C[C@@H](C)C#N)C(=O)OC 337159289 RPKRMQORSQHSJC-WDEREUQCSA-N 319.383 -0.344 30 20 DBED C[S@@](=O)C1(CNS(=O)(=O)N2CCO[C@H](C#N)C2)CCC1 337206249 MCTWGANEPXQAOG-GIGQVBGESA-N 321.424 -0.654 30 20 DBED C=CCNC(=O)NC(=O)CN1CCc2c(nnn2CCOC)C1 339304156 RKNOYQOJCNYZQE-UHFFFAOYSA-N 322.369 -0.706 30 20 DBED C=CCOCC(=O)NC[C@@H]1CCCCN1S(=O)(=O)N(C)C 346071685 MZBVYHYECSVSRH-LBPRGKRZSA-N 319.427 -0.034 30 20 DBED C=CCCN(C)C(=O)C(=O)NC[C@@H]1CCCN1S(C)(=O)=O 347319977 XYUOQABBSUTDJA-NSHDSACASA-N 317.411 -0.439 30 20 DBED N#Cc1ccc([C@@H](C(N)=O)N2CCC[C@H](S(N)(=O)=O)C2)cc1 347525567 CJQCRARQRPYXRN-STQMWFEESA-N 322.390 -0.162 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(C)Cc2cccn2C)C1=O 351107860 QJGKGHPPKHCFJL-UHFFFAOYSA-N 318.333 -0.040 30 20 DBED N#CCCn1ccc(NC(=O)C(=O)NCC2(CO)CCCC2)n1 352462375 UGJWSJDISNEPGI-UHFFFAOYSA-N 319.365 0.404 30 20 DBED N#C[C@@]1(NC(=O)CNS(=O)(=O)c2cccs2)CCOC1 358454915 WYPLRDTWQOUXOS-NSHDSACASA-N 315.376 -0.175 30 20 DBED C=CCNC(=O)NC(=O)CN1C[C@@H](N2CCOCC2)C[C@@H]1C 367575575 NBFFWDHXGGNQGK-STQMWFEESA-N 310.398 -0.207 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1CCNC(=O)C[C@H]1C 376984040 ALKARPRYZGMMKN-LLVKDONJSA-N 318.399 -0.696 30 20 DBED CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCC(C#N)CC1 408421868 NWVNJYCQZVQNEB-UHFFFAOYSA-N 323.440 -0.167 30 20 DBED C#CCNC(=O)C1CCN(C(=O)NCC(C)(C)C(=O)NC)CC1 491068013 MAQGKDFFMYKUGL-UHFFFAOYSA-N 322.409 -0.070 30 20 DBED COC[C@](C)(O)CNC(=O)C(=O)N1CCc2ccc(C#N)cc21 550520151 JQBRVGURQAVNKC-MRXNPFEDSA-N 317.345 -0.039 30 20 DBED C=CCSCCNC(=O)c1nc(N)nc(N2CCOCC2)n1 553555704 AIMMBXLYTWKZPO-UHFFFAOYSA-N 324.410 -0.061 30 20 DBED N#CCCC1CCN(C(=O)C(=O)NC[C@@H]2CNCCO2)CC1 565363682 OQBCTMXYELZOCD-ZDUSSCGKSA-N 308.382 -0.367 30 20 DBED C[C@@H]1CNCCN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 571923540 SJWOHDSUTYDPBI-LLVKDONJSA-N 322.390 -0.343 30 20 DBED CNC(=O)[C@H](CO)NS(=O)(=O)Cc1ccc(F)cc1C#N 579006797 RLWHCKFMMZZWEX-NSHDSACASA-N 315.326 -0.776 30 20 DBED CC[C@H](NC(=O)N1CC[C@@](O)(CC#N)C1)C(=O)N1CCOCC1 591974180 JJJMOQLADMYQHR-WFASDCNBSA-N 324.381 -0.316 30 20 DBED C=CCn1cc(CNC(=O)N2C[C@@H](O)C[C@H](C(=O)OC)C2)nn1 592030823 KGLYXHQVCUZWIJ-JQWIXIFHSA-N 323.353 -0.471 30 20 DBED C[C@@H]1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)C[C@H]1C(=O)O 592457658 RXIQVRWKAIHISX-GMTAPVOTSA-N 317.367 -0.502 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@]1(C(=O)O)CCOC1 593271330 KBPKZXCUQXCBCL-KOLCDFICSA-N 305.356 -0.454 30 20 DBED N#CCCN(CCN1CCOCC1)C(=O)c1cc(O)ncn1 599229917 JWUYRUKEOZWARM-UHFFFAOYSA-N 305.338 -0.130 30 20 DBED COCC1CN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 603149565 VZBVDYRRJKPOQB-UHFFFAOYSA-N 323.374 -0.059 30 20 DBED C=CCCn1cc(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2OC)nn1 617868042 BJRWOLCZFKSHME-GHMZBOCLSA-N 314.367 -0.604 30 20 DBED C=CCCn1cc(CNS(=O)(=O)C[C@@H](COC)OC)nn1 641638594 ZGKHWZCSYLCXEH-GFCCVEGCSA-N 318.399 -0.065 30 20 DBED CCn1cc(C#N)c(=O)n(CC(=O)NCc2ccccn2)c1=O 728791050 NQVMMYJISKYHAD-UHFFFAOYSA-N 313.317 -0.387 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCN(CC(=O)N(C)C)CC1 730272979 UNSCDJGNMNMNTL-AWEZNQCLSA-N 306.410 -0.684 30 20 DBED CCCCCCNC(=O)[C@@H](C#N)C(=O)c1cn(CC(N)=O)nn1 744023134 VHEUNRUKNJWQJG-JTQLQIEISA-N 320.353 -0.218 30 20 DBED C#CCNS(=O)(=O)N1CCN(CCC(=O)OCC)CC1 761031350 QJPTWBWCQLZLSE-UHFFFAOYSA-N 303.384 -0.975 30 20 DBED Cn1cnn(CCC(=O)[C@@H](C#N)C(=O)NC2CCCC2)c1=O 815913683 YTXABWWBRZPTQS-LLVKDONJSA-N 305.338 -0.260 30 20 DBED C#CC[C@@H](CO)NC(=O)[C@H](C(C)C)N1CCCS1(=O)=O 816671919 LCPNNONOODZRKQ-RYUDHWBXSA-N 302.396 -0.453 30 20 DBED CN(CCC(=O)O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 818432337 RUMYHFHUEDRKOE-VAWYXSNFSA-N 310.310 -0.371 30 20 DBED C=CCCn1cc(C(=O)OCC(=O)N[C@@H](C)C(=O)N(C)C)nn1 820976930 NOVSDUGQAURGQA-JTQLQIEISA-N 323.353 -0.396 30 20 DBED Cc1cccc2c(=O)n(CC(=O)N[C@@H]3CNC[C@@H]3C#N)cnc12 834512059 RJDNTCMNMQWQKE-WCQYABFASA-N 311.345 -0.067 30 20 DBED Cc1nn(CC(=O)OCC(=O)N[C@@](C)(C#N)C(C)C)c(=O)n1C 848846473 UULKJPOUAQSCLZ-AWEZNQCLSA-N 323.353 -0.512 30 20 DBED CNC(=O)[C@H](O)CNS(=O)(=O)Cc1ccc(F)cc1C#N 849390148 KQHJTRIHIPSMKI-LLVKDONJSA-N 315.326 -0.776 30 20 DBED N#CCCN1CCN(C(=O)C(=O)NCCC2CCNCC2)CC1 884773894 UYNOXTQQHUWFRX-UHFFFAOYSA-N 321.425 -0.450 30 20 DBED C#CC1(O)CN(C(=O)c2ccc3c(=O)n(CC)c(O)nc3c2)C1 890520723 MHYMMQIWUQZXIL-UHFFFAOYSA-N 313.313 -0.058 30 20 DBED CCn1cc(C=NNC(=S)NCCN2CCOCC2)nn1 901130521 TZYWKXVUMZTINI-UHFFFAOYSA-N 311.415 -0.572 30 20 DBED CN1C[C@@H](C(=O)N(C)[C@H]2CCN(C(=O)C#CC3CC3)C2)NC1=O 937349334 DHIBKINNNDXMOF-STQMWFEESA-N 318.377 -0.517 30 20 DBED Cc1c[nH]nc1C(=O)NC[C@@H]1CN(C(=O)[C@@H](C)C#N)CCO1 944585017 BHNBCWPKCLXYBS-GXSJLCMTSA-N 305.338 -0.165 30 20 DBED C#Cc1cncc(C(=O)N2CC[C@@H]2CNC(=O)c2cnn(C)n2)c1 951093809 DANQJLSLAGNMTF-CYBMUJFWSA-N 324.344 -0.164 30 20 DBED CN1C[C@H](C(=O)N(C)C2CN(C(=O)C#CC3CC3)C2)NC1=O 954964158 AWZHTFPDZKUJCR-GFCCVEGCSA-N 304.350 -0.907 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)C(N)=O)C[C@H]2C)cn1 955760280 KXIUQIDOGPKBOX-ZWNOBZJWSA-N 314.345 -0.343 30 20 DBED C#CCCN1C[C@H](CNC(=O)c2cn(C)c(C)cc2=O)[C@@H](O)C1 958152313 ODQBNDXXNFENOX-BBRMVZONSA-N 317.389 -0.260 30 20 DBED N#Cc1ccc(CN2C[C@H]3C(NC(=O)Cn4ncnn4)[C@@H]3C2)cc1 959904694 XCNGKHJITNXQQO-ZIAGYGMSSA-N 323.360 -0.209 30 20 DBED N#CCN1C[C@H]2C(NC(=O)c3cccc(OCC(N)=O)c3)[C@@H]2C1 960187565 XTYBHMLCTGYYLO-CHWSQXEVSA-N 314.345 -0.266 30 20 DBED Cc1cc(C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2O)n[nH]1 961750489 NSGBKEYSVRQLET-OLZOCXBDSA-N 302.334 -0.567 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@H]3C[C@@H]3C)C[C@@H]2O)nn1 963317838 RBAATOPXLBLHJK-KQXIARHKSA-N 319.365 -0.578 30 20 DBED C[C@H](C#N)C(=O)N1CC2(C1)CN(C(=O)[C@@H]1CCN(C)C1)CCO2 965383615 YNZNTFUVNQZODL-CHWSQXEVSA-N 320.393 -0.462 30 20 DBED C=C[C@@](C)(CC)C(=O)N1CCOC2(CN(C(=O)C(N)=O)C2)C1 965474144 WVZBEIZNWQNUTC-AWEZNQCLSA-N 309.366 -0.486 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1COCCO1 968561050 GQJVHTBTLAEESG-RVMXOQNASA-N 307.350 -0.237 30 20 DBED C[C@@H](NC(=O)[C@@H]1Cc2cncn2C(=O)N1)C1CN(CC#N)C1 970195184 NHQWBYQRFCWZMK-SKDRFNHKSA-N 302.338 -0.674 30 20 DBED Cc1nn(CC(=O)N2C[C@H]3CC[C@H]2CN3CC#N)c(=O)n1C 972070824 ZXWXIGWPHCSKOE-NEPJUHHUSA-N 304.354 -0.911 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)Cc3cncnc3)C2)C1 972362786 UEQQYXLODCHTKC-MRXNPFEDSA-N 300.362 -0.044 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)C[C@@H]3CCNC3=O)C2)C1 972411348 YTFYZWKTKUEPGL-BBRMVZONSA-N 305.378 -0.551 30 20 DBED C=CCn1cc(C(=O)N[C@H]2C[C@H](NC(=O)c3cnn[nH]3)C2)nn1 973290024 SREFSIRLBPKFCC-KYZUINATSA-N 316.325 -0.727 30 20 DBED CC#CCN1C[C@H](NC(=O)CN2CCC(=O)NC2=O)C(C)(C)C1 977489114 TVVAXVGTYBTBDB-LBPRGKRZSA-N 320.393 -0.222 30 20 DBED C=CCN1CCCN(C(=O)CN2CCCS2(=O)=O)CC1 981282607 FRWBXQYZZLNSFA-UHFFFAOYSA-N 301.412 -0.258 30 20 DBED C=CCCn1cc(C(=O)N2CC[C@@H](NCC(N)=O)[C@H]2C)nn1 987169628 QEYRFQNKIXCPQX-GHMZBOCLSA-N 306.370 -0.468 30 20 DBED C#CCN1CCC(C(=O)N[C@H]2CCN(C(C)=O)C[C@H]2O)CC1 991544324 NEXAURXUIYLYGC-LSDHHAIUSA-N 307.394 -0.571 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)c2cn(CC3CC3)nn2)C1 998771933 UOKPXSMFXBUJNN-VIFPVBQESA-N 302.338 -0.212 30 20 DBED C=C1CC(C)(C(=O)NC2CN(C(=O)Cn3c(O)nnc3O)C2)C1 999278321 ZTGJWWVTSZFXOU-UHFFFAOYSA-N 321.337 -0.627 30 20 DBED C#CCNC1CC(N(C)C(=O)c2nc(O)nc(O)c2OC)C1 999682243 NBYANGFMCAVZQI-UHFFFAOYSA-N 306.322 -0.278 30 20 DBED C[C@H](C#N)C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1ncn(C)n1 1002405222 IZVOKKGMRUZCNX-DBIOUOCHSA-N 302.338 -0.164 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H]2C(CNC(=O)c3nnn(C)n3)[C@@H]2C1 1009388921 BSHHNDHSPRXULJ-QWRGUYRKSA-N 318.381 -0.144 30 20 DBED C#Cc1cncc(C(=O)N2CC[C@@H](NC(=O)C(N)=O)[C@@H]2C)c1 1012053694 ZNAGZJBEFGNYHY-JOYOIKCWSA-N 300.318 -0.733 30 20 DBED C#CCN1CCC2(CC1)C[C@H]2NC(=O)c1cn(C)c(=O)cn1 1016741287 VHBPLQBDTMDSAG-CYBMUJFWSA-N 300.362 -0.002 30 20 DBED C#Cc1ccc(C(=O)N2C[C@@H](NC(=O)C(N)=O)CC[C@H]2C)nc1 1018375736 PUAXNKWJBFCIFG-PWSUYJOCSA-N 314.345 -0.343 30 20 DBED N#Cc1ccc(CN[C@H]2C[C@H](NC(=O)[C@H]3CNC(=O)N3)C2)cc1 1020532746 ZXKOUIAVHGGOFN-MGPQQGTHSA-N 313.361 -0.024 30 20 DBED C=CCN1CCC[C@@H](CNC(=O)[C@@H]2CCS(=O)(=O)N2)C1 1023753412 FJJPLOOEYUIMRS-RYUDHWBXSA-N 301.412 -0.308 30 20 DBED C#CCN1CCCC[C@H]1CNC(=O)C1CC2(C1)NC(=O)NC2=O 1024700775 FZRCVZQGSJSFSU-BGMSHATGSA-N 318.377 -0.422 30 20 DBED Cc1n[nH]cc1C(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1024968668 NBQLIGSRHAVVMW-CHWSQXEVSA-N 302.334 -0.567 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(=O)cn2)C1 1025348218 SDLPZRFHZWWVKF-GHMZBOCLSA-N 320.349 -0.716 30 20 DBED C#Cc1cncc(C(=O)N2C[C@H]3[C@@H](NCC(N)=O)CC[C@H]3C2)c1 1026354533 ALRHHMPTBIVIJX-CFVMTHIKSA-N 312.373 -0.012 30 20 DBED N#CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1cccc(-n2cncn2)n1 1037642350 VIWLSKBAKKKIJH-SCDSUCTJSA-N 309.333 -0.012 30 20 DBED CC[C@@H](OC)C(=O)N1CC[C@](O)(CNC(=O)C#CC2CC2)C1 1039677681 KYEZINVWKXAMBC-CJNGLKHVSA-N 308.378 -0.096 30 20 DBED N#CCN1CCC[C@]2(CCN(C(=O)CCn3cnnn3)C2)C1 1040469344 ZWWKWYMOFKKZBX-AWEZNQCLSA-N 303.370 -0.099 30 20 DBED CC(C)C#CC(=O)N1CC[C@](O)(CNC(=O)c2cnon2)C1 1040664659 DTTBWNFEHCPPPT-AWEZNQCLSA-N 306.322 -0.578 30 20 DBED N#CCSCC(=O)N1CC(O)(CNC(=O)c2ccoc2)C1 1041455456 DDRZIBMADMCVMW-UHFFFAOYSA-N 309.347 -0.161 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)C[C@@H]2CCN(C)C2)C1 1041956886 YWAOQDVOLSMVRD-ZDUSSCGKSA-N 309.410 -0.016 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)CCc2ccon2)C1 1042052911 WAQLPWBMYHOLHM-UHFFFAOYSA-N 323.349 -0.501 30 20 DBED C=CCN1CC[C@@H]2CCN(C(=O)Cn3ncn(C)c3=O)C[C@H]21 1042120813 BAVPWSKMEDBZAF-CHWSQXEVSA-N 305.382 -0.309 30 20 DBED C#CCCN1CC[C@@H]2CCN(C(=O)CN3CCNC(=O)C3)C[C@H]21 1042182153 CCJGOYJHCXVIPS-HUUCEWRRSA-N 318.421 -0.636 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)C2=CCOCC2)C1 1042732677 VFDKVMXBULJVAT-LBPRGKRZSA-N 324.377 -0.386 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)CCc2ccon2)C1 1042942119 ZFQUPLGSHYPOQF-UHFFFAOYSA-N 319.361 -0.044 30 20 DBED Cc1ccncc1CC(=O)NCC1(O)CN(C(=O)[C@@H](C)C#N)C1 1043651223 FRGYONLUNNUSCL-LBPRGKRZSA-N 316.361 -0.218 30 20 DBED CC(C)(C)C#CC(=O)N1CC(O)(CNC(=O)Cc2ncc[nH]2)C1 1045281547 LRNFODGNNPKDGG-UHFFFAOYSA-N 318.377 -0.309 30 20 DBED CC#CCN1CC[C@H](N2CCN(C(=O)[C@H]3CCNC3=O)CC2)C1 1046049588 SGMDCGYEKVKMPF-GJZGRUSLSA-N 318.421 -0.636 30 20 DBED C#CCN1CC[C@](C)(NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 1046521668 KQEPSDPHJFJBMP-AWEZNQCLSA-N 314.353 -0.479 30 20 DBED N#Cc1cc(C(=O)N2CC(O)(CNC(=O)[C@H]3CC34CC4)C2)c[nH]1 1047140819 LRUFYRZHZSWDED-GFCCVEGCSA-N 314.345 -0.010 30 20 DBED C#CCN1C[C@H]2CN(C(=O)[C@H](C)N3C(=O)CCC3=O)C[C@H]2C1 1048848349 OLQMHIDOZNPRDS-RWMBFGLXSA-N 303.362 -0.453 30 20 DBED CC(=O)NCC(=O)N1CC[C@@H]([C@@H](C)NC(=O)C#CC2CC2)C1 1049841449 YBJXFRZYAUHENF-BXUZGUMPSA-N 305.378 -0.111 30 20 DBED C#CCN1CCN([C@@H]2CCN(C(=O)[C@H]3CCNC(=O)C3)C2)CC1 1052011017 KKFRNVQTEVYGHI-LSDHHAIUSA-N 318.421 -0.636 30 20 DBED O=C1NCCC[C@H]1N1CC2(CN(C(=O)C#CC3CC3)CCO2)C1 1053249729 AVBTWPZNAXOFBU-CQSZACIVSA-N 317.389 -0.408 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)C3)CO2)C1 1053927593 GCDAABPBTIBIOZ-HZSPNIEDSA-N 319.405 -0.129 30 20 DBED Cc1cc(N2C[C@@H]3C(NC(=O)Cn4cnnn4)[C@H]3C2)c(C#N)cn1 1056127080 AXVBBYQTUSAICE-RYUDHWBXSA-N 324.348 -0.501 30 20 DBED Cc1cc(C#N)nc(N2C[C@@H]3C(NC(=O)Cn4nccn4)[C@H]3C2)n1 1056315444 BZBXFRLASONRMD-RYUDHWBXSA-N 324.348 -0.501 30 20 DBED C#CCNC(=O)CC(=O)NCCN(CCO)C(=O)[C@H](C)CC 1057017035 OORQJZHJPHLZQK-GFCCVEGCSA-N 311.382 -0.891 30 20 DBED C=CCOCCCC(=O)N(CCO)CCNC(=O)CCOC 1057266842 JWBYJLFIIKXRKB-UHFFFAOYSA-N 316.398 -0.057 30 20 DBED C[C@@H](C(=O)NCCN(CCO)C(=O)C#CC1CC1)n1cccn1 1057531402 MPADCSCSKIICOJ-ZDUSSCGKSA-N 318.377 -0.205 30 20 DBED Cn1nncc1C(=O)N[C@@H]1CCCN(c2cnc(C#N)cn2)C1 1058152117 KQDLLKCLFGGTPD-SNVBAGLBSA-N 312.337 -0.124 30 20 DBED C=C(C)CCC(=O)NCCN(CCO)C(=O)[C@@H]1CCC(=O)N1 1058243757 WJRGDUOMJSYNME-LBPRGKRZSA-N 311.382 -0.442 30 20 DBED C=C[C@H](C)[C@H](C)C(=O)NCCN(CCO)C(=O)c1nnn(C)n1 1058421767 GRTCLCUAQJWQPO-QWRGUYRKSA-N 324.385 -0.781 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)[C@H](C)OCC1CC1 1058652694 CKLHPAHKFFRBLD-RYUDHWBXSA-N 311.382 -0.102 30 20 DBED Cc1cc(O)ncc1C(=O)N(CCO)CCNC(=O)[C@H](C)C#N 1058786114 HQBKIGGIGIHWBH-LLVKDONJSA-N 320.349 -0.194 30 20 DBED N#Cc1nccnc1NC[C@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1 1060826735 DTTZDOHBXRFZJP-GHMZBOCLSA-N 314.349 -0.113 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)CN1CCCC1=O 1061277694 JYXJGFKBNQSMCQ-VXGBXAGGSA-N 322.365 -0.888 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@H]1COCCN1C(=O)COC 1061538172 LBDJLPQHGOQWKX-SMDDNHRTSA-N 300.355 -0.697 30 20 DBED COCCOCC(=O)N1CCOC[C@H]1CNC(=O)C#CC1CC1 1061570150 URZNBKIIXCIAAC-CQSZACIVSA-N 324.377 -0.594 30 20 DBED C[C@@H](C#N)C(=O)N1CCCC[C@@H]1CNC(=O)Cn1ncnn1 1062333472 SDAUXPLQLFEVAI-WDEREUQCSA-N 305.342 -0.670 30 20 DBED C=CCOCC(=O)NCC1(NC(=O)C[C@@H]2CCNC2=O)CCC1 1062703746 MYRAIYYQKKSSQU-LBPRGKRZSA-N 323.393 -0.130 30 20 DBED C[C@@H]1CN(C(=O)CC(N)=O)CC[C@@H]1Nc1cnc(C#N)cn1 1063714155 ULFNUNMSWLXGNS-KOLCDFICSA-N 302.338 -0.127 30 20 DBED CN(CCC1CCN(C(=O)C(N)=O)CC1)c1ccc(C#N)nn1 1063971478 ANEVRIOFNMLNRO-UHFFFAOYSA-N 316.365 -0.102 30 20 DBED N#Cc1nccnc1NC[C@@H]1CCCN1C(=O)[C@@H]1CNC(=O)N1 1064998377 XJDFWIPWQMSONL-ONGXEEELSA-N 315.337 -0.567 30 20 DBED N#Cc1cnc(NC[C@@H]2CCCN2C(=O)[C@H]2C[C@H]2C(N)=O)cn1 1065012301 KSJFEUUHRCXTBX-TUAOUCFPSA-N 314.349 -0.127 30 20 DBED C#CCCCCC(=O)NC[C@H]1CN(C(=O)c2nc[nH]n2)CCO1 1065447590 REIBLNUADAKHDZ-LBPRGKRZSA-N 319.365 -0.045 30 20 DBED CC(C)N(C)CC(=O)NC[C@@H]1CN(C(=O)[C@H](C)C#N)CCO1 1065559371 CCJZIEJXCFYQID-CHWSQXEVSA-N 310.398 -0.170 30 20 DBED C#CCCCC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CNC(=O)N2)CC1 1066100001 AHGGISQQVPHWNE-OLZOCXBDSA-N 320.393 -0.031 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCCN(C)C(=O)[C@H]1CN(C)CCO1 1067078496 BHBRPRWLHPAZHR-QWHCGFSZSA-N 310.398 -0.216 30 20 DBED C=CCOCC(=O)N[C@H]1COC2(C1)CN(C(=O)c1ccon1)C2 1068764219 MPWFKAKLJPXZEP-LLVKDONJSA-N 321.333 -0.023 30 20 DBED C[C@@H]1[C@H](N=c2cc[nH]c(C#N)n2)CCN1C(=O)c1nccnc1N 1068799529 ZFQRHQAWJIIXQC-NXEZZACHSA-N 324.348 -0.143 30 20 DBED CC(C)N(C)CC(=O)N[C@H]1COC2(C1)CN(C(=O)[C@@H](C)C#N)C2 1068899042 FAWJSWIMNUJWNU-QWHCGFSZSA-N 322.409 -0.028 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1COC2(C1)CN(C(=O)c1cncn1C)C2 1069003963 QVAOKULUXNVGAU-GHMZBOCLSA-N 317.349 -0.321 30 20 DBED CC[C@@H]1OCC[C@H]1C(=O)N1C[C@H](n2ccnn2)[C@H](NCC#N)C1 1070244009 YKOLVHWFHTXUSZ-MQYQWHSLSA-N 318.381 -0.042 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCCN(C(=O)C[C@H](C)OC)C1 1070528794 QMYULDBSIJHRON-QWHCGFSZSA-N 323.393 -0.342 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)Cn4nccn4)C[C@@]3(C1)O2 1070806456 LTTREVRXFCGTNP-GZBFAFLISA-N 301.350 -0.787 30 20 DBED CC(C)[C@@H](C(=O)N1CCC(=O)NCCN(CC#N)CC1)N(C)C 1070971478 BCXXELHSSLBUBX-HNNXBMFYSA-N 323.441 -0.253 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](NC(=O)C#CC2CC2)[C@H](C)C1 1071936422 PBOKSIQAFCYGGM-TZMCWYRMSA-N 315.373 -0.498 30 20 DBED CC#CCN1C[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)CC[C@@H]1C 1071990370 YYOYWUIELRWMBX-STQMWFEESA-N 320.393 -0.127 30 20 DBED C#CCCCC(=O)N1C[C@@H](NC(=O)Cn2cnnn2)[C@H](C)C1 1071995202 ILLRHZJIYZXCTF-VXGBXAGGSA-N 304.354 -0.560 30 20 DBED C=CCN1CCC2(C1)CN(C(=O)CC[C@@H]1NC(=O)NC1=O)C2 1073413142 RKGMQPIDHBWTLP-NSHDSACASA-N 306.366 -0.305 30 20 DBED C=C(C)CCN1CCCO[C@@H](CNC(=O)[C@H]2CNC(=O)N2)C1 1073751692 GLJOZIZWWHXLPF-QWHCGFSZSA-N 310.398 -0.159 30 20 DBED C#CCCN1CCO[C@H]2CCN(C(=O)c3cc(=O)n(C)o3)C[C@H]21 1074226468 QHOWWAHJQJGBLE-OLZOCXBDSA-N 319.361 -0.083 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(O)(CNC(=O)c2cnn(C)n2)CC1 1074704769 HVQHHUUBLHTVGZ-JTQLQIEISA-N 320.353 -0.942 30 20 DBED C=CCOCC(=O)N[C@@H](C)CCNC(=O)CCc1nc[nH]n1 1076083277 WGUJGEXBBWXKMY-NSHDSACASA-N 309.370 -0.049 30 20 DBED C=CCOCC(=O)N[C@@H](C)CCNC(=O)[C@@H]1COCCN1C 1076205931 SPUAYHYCUAWUGP-STQMWFEESA-N 313.398 -0.469 30 20 DBED C[C@@H](CCNC(=O)c1cnnn1C)NC(=O)c1cc(C#N)c[nH]1 1076334038 MKSHKHDUSFKAMJ-VIFPVBQESA-N 315.337 -0.047 30 20 DBED C=CCOCC(=O)N[C@@H](C)CCNC(=O)[C@H]1CC(=O)N(C)C1 1076890647 FUWFWVGVWDRLMA-RYUDHWBXSA-N 311.382 -0.322 30 20 DBED CCc1c(C(=O)N[C@@H]2CN(CC#N)C[C@H]2O)[nH]c(C)c1C(N)=O 1077128849 IEOJPDZOMNTNDU-GHMZBOCLSA-N 319.365 -0.717 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCS2(=O)=O)C1 1078204231 LAPSZPHHYDJFKG-IJLUTSLNSA-N 302.396 -0.699 30 20 DBED C=CCN[C@H]1C[C@H]2CC[C@H]1N(C(=O)Cn1cnc(C(N)=O)n1)C2 1078952586 ZRHJHVXWOROPSV-GRYCIOLGSA-N 318.381 -0.468 30 20 DBED C=CCCOCC(=O)N(CC)C1CN(C(=O)CNC(C)=O)C1 1079976335 DPNZZLZWBXKYSR-UHFFFAOYSA-N 311.382 -0.226 30 20 DBED C#CCCCC(=O)N1CCC(CO)(NC(=O)c2nc[nH]n2)CC1 1080942115 DBLYUMZYKVKRNZ-UHFFFAOYSA-N 319.365 -0.309 30 20 DBED CC(C)N(C)CC(=O)N1CCC(CO)(NC(=O)[C@H](C)C#N)CC1 1080983723 VKAJGKBRRGXDQJ-CYBMUJFWSA-N 324.425 -0.044 30 20 DBED C=CCCOCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cc[nH]n2)C1 1081294922 KSJWWZPLBHBBFL-WCQYABFASA-N 322.365 -0.449 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2ccnn2C)C1 1081322263 SMQBSSLMUWUWRE-DGCLKSJQSA-N 322.365 -0.828 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)C2=COCCC2)C[C@H]1O 1081345789 AEOXBZDFQIMFEM-ZIAGYGMSSA-N 324.377 -0.181 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](O)[C@H](CNC(=O)Cc2ccon2)C1 1081366624 ZMPHXLNKOCJOGJ-TZMCWYRMSA-N 319.361 -0.188 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2ocnc2C)C1 1081373262 FSEILSQDSVWVFI-VXGBXAGGSA-N 323.349 -0.265 30 20 DBED C#CCOCCC(=O)NC[C@H]1CN(C(=O)c2cc[nH]c2)C[C@@H]1O 1081488824 MLJUYJQPDSUUFF-KBPBESRZSA-N 319.361 -0.396 30 20 DBED CO[C@@H]1CN([C@@H]2CCNC2=O)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 1081563171 BNNPWKBDXPQMRZ-JHJVBQTASA-N 317.349 -0.796 30 20 DBED CN(C)CCC(=O)NC[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1081732054 BXYQEFFWPSQIRM-UONOGXRCSA-N 307.394 -0.713 30 20 DBED C#Cc1ccc(C(=O)N2CCCC[C@H]2CNC(=O)C(N)=O)nc1 1082192719 VNBXCMUMISSURE-LBPRGKRZSA-N 314.345 -0.341 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)C(=O)N1CCC[C@@H]1CC 1083243208 PUOJYWAECPYLDF-SOUVJXGZSA-N 319.405 -0.068 30 20 DBED CCc1nn(C)c(CC)c1CC(=O)N[C@@H]1CN(CC#N)C[C@@H]1O 1083532078 WPEWTZXQYQJKMV-HIFRSBDPSA-N 319.409 -0.228 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2COCCN2CC2CCC2)C1 1083670521 DAPIJZKYRPQIEK-PMPSAXMXSA-N 321.421 -0.718 30 20 DBED Cc1nn(C)c2ncc(C(=O)N[C@@H]3CN(CC#N)C[C@@H]3O)cc12 1083685674 GLKVYVJLEGYXMP-OLZOCXBDSA-N 314.349 -0.425 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)C1 1084046210 XDLJPVLRXAQYCY-YUELXQCFSA-N 319.405 -0.428 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)CN3CC(=O)N(C)C3=O)[C@@H]2C1 1084772127 QYSVJTMUFRULSN-VXGBXAGGSA-N 304.350 -0.954 30 20 DBED C#CCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1COCCN1C(C)=O 1085978934 GAYQARQLZUXEIT-CABCVRRESA-N 307.394 -0.210 30 20 DBED N#CCN[C@H]1C[C@@H](CNC(=O)C2CC3(C2)CS(=O)(=O)C3)C1 1086121292 LMIGSKQUXDUPMU-KLPPZKSPSA-N 311.407 -0.181 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CC[C@@H](C)N(c2cncc(C#N)n2)C1 1089129020 KFEHATMFXOFIJE-GHMZBOCLSA-N 316.365 -0.042 30 20 DBED CC1(C)C[C@H](NC(=O)CN2CC(=O)NC2=O)CCN(CC#N)C1 1089519119 IUCDKFJBRGGVDE-LLVKDONJSA-N 321.381 -0.331 30 20 DBED CCOCCCC(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1O 1090394463 DSPREWHUNLHGHE-VXGBXAGGSA-N 319.365 -0.169 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(c2ccc(C)nn2)C[C@H]1O 1090488665 NBXRWAOSDWJCQO-YNEHKIRRSA-N 304.350 -0.511 30 20 DBED C=CCN1CC[C@@H](NC(=O)c2ccc3nnc(O)n3c2)[C@H](O)C1 1090640088 GRMCNNLHMIATKQ-VXGBXAGGSA-N 317.349 -0.214 30 20 DBED N#CCNC1CC(CNC(=O)[C@@H]2CCc3nnc(O)n3C2)C1 1091105791 URABJHZLXJANFL-HSOILSAZSA-N 304.354 -0.446 30 20 DBED N#Cc1cccnc1N[C@H]1C[C@@H](CNC(=O)CNC(N)=O)C1 1091313731 ZRCKYVQTZXSEOQ-JGZJWPJOSA-N 302.338 -0.072 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)c3c[nH]c(=O)cn3)c3nccn32)C1 1092390799 GGLFENLLRZUOEK-LLVKDONJSA-N 324.344 -0.515 30 20 DBED N#Cc1cncc(N2C[C@@H]3C(NC(=O)C4(C(N)=O)CC4)[C@H]3C2)n1 1093355974 IRHDVDSSTQGEHO-UWVGGRQHSA-N 312.333 -0.835 30 20 DBED C#CCN1CC(OC2CCN(C(=O)Cn3cnnc3O)CC2)C1 1093528598 LBQLZRDXGHCUTN-UHFFFAOYSA-N 319.365 -0.691 30 20 DBED CCn1nncc1C(=O)NCc1cn(C2CN(CC#N)C2)nn1 1094288051 CVEQULFKJBPLIL-UHFFFAOYSA-N 315.341 -0.800 30 20 DBED CCn1cc(C(=O)N[C@@H]2CC(=O)N(C3CN(CC#N)C3)C2)cn1 1094715440 MDENQSUEYDNJDP-GFCCVEGCSA-N 316.365 -0.559 30 20 DBED COC[C@H](OC)C(=O)N1CCC[C@H](N=c2cc[nH]c(C#N)n2)C1 1095327607 ZHMPPOIXYQCEGQ-RYUDHWBXSA-N 319.365 -0.166 30 20 DBED C#CCNC(=O)CC(=O)NCCCN(C)c1ccnc(C#N)n1 1095541290 PVLNWFCKFGSALV-UHFFFAOYSA-N 314.349 -0.570 30 20 DBED CC(=O)N[C@@H](C)C(=O)N[C@H]1CCN(c2nccnc2C#N)C1 1096317710 YGZIBYKHXHKOHF-ONGXEEELSA-N 302.338 -0.432 30 20 DBED CNC(=O)NCC(=O)N[C@H]1C[C@@H](N=c2cc[nH]cc2C#N)C1 1097259308 QNUBKBSDULSKAV-PHIMTYICSA-N 302.338 -0.637 30 20 DBED Cc1nnc(CC(=O)NC[C@H](C)N=c2cc[nH]c(C#N)n2)o1 1097820551 FIRWCAIFLXCRBH-QMMMGPOBSA-N 301.310 -0.379 30 20 DBED C[C@@H](CNC(=O)C(=O)NCC(F)F)N=c1cc[nH]cc1C#N 1098134595 BVOWYJKAZQTNFZ-QMMMGPOBSA-N 311.292 -0.327 30 20 DBED C[C@@H](CNC(=O)[C@H]1CN(C)C(=O)N1)N=c1cc[nH]cc1C#N 1098213628 LZIDNMDTZUTECK-JOYOIKCWSA-N 302.338 -0.685 30 20 DBED C[C@@H]1CN(C(=O)Cn2nccn2)CC2(CCN(CC#N)CC2)O1 1098603726 VUBWSSMLKLVPMG-CYBMUJFWSA-N 318.381 -0.116 30 20 DBED C=CCOCC(=O)N1CC[C@@H](n2cc(CNCC#N)nn2)C1 1098645502 NYWODFYPDXUFPW-CYBMUJFWSA-N 304.354 -0.133 30 20 DBED CC(C)NC(=O)CN1CC[C@@H](NC(=O)C#CC2CC2)[C@@H](O)C1 1099826329 JKUCJQVYWSNPPB-KGLIPLIRSA-N 307.394 -0.524 30 20 DBED C=CCCCCCN1CC[C@@H](NC(=O)Cn2ncnn2)[C@H](O)C1 1099837903 FGKSBYJWLQPUDV-ZIAGYGMSSA-N 322.413 -0.029 30 20 DBED C#CCCN1CC[C@H](NC(=O)CCc2cncnc2)[C@@H](O)C1 1099925899 MMGGASLEEHUYML-GJZGRUSLSA-N 302.378 -0.016 30 20 DBED C=CCCCC(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[nH]2)C[C@@H]1O 1099976559 OSNCXWRLEWBMRD-RYUDHWBXSA-N 323.397 -0.484 30 20 DBED CN1C[C@@H](C(=O)NCCN(C)c2cnc(C#N)cn2)CC1=O 1100383614 HIZQVGYZGUKNGI-JTQLQIEISA-N 302.338 -0.621 30 20 DBED CCN(CCNC(=O)[C@@H]1COC(=O)N1)c1ccnc(C#N)n1 1100511193 PTCWAYXKDWDHNQ-VIFPVBQESA-N 304.310 -0.601 30 20 DBED C=CCO[C@@H](C)C(=O)NCC1CC(NCC(=O)NC(N)=O)C1 1101058919 ZAXJHLYXLNFJMK-WHXUTIOJSA-N 312.370 -0.743 30 20 DBED CN(CCNc1cncc(C#N)n1)C(=O)[C@H]1CC[C@H]1C(N)=O 1101902007 JKMCXKBCPDGUIF-MNOVXSKESA-N 302.338 -0.270 30 20 DBED CC(=O)N[C@@H](C)C(=O)N(C)[C@@H]1CCN(c2nccnc2C#N)C1 1102668840 VHWREOILAVEHPJ-CMPLNLGQSA-N 316.365 -0.090 30 20 DBED C[C@H](CNC(=O)Cn1cncn1)CNc1ccc(C#N)nn1 1103968965 DSALYWZODSKAMX-JTQLQIEISA-N 300.326 -0.196 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)CNc1ncc(C#N)cc1F 1104183238 CQFYMUPKQNUNCV-KCJUWKMLSA-N 320.328 -0.062 30 20 DBED C[C@@H](CNc1ccc(C#N)nn1)N(C)C(=O)[C@@H]1COC(=O)N1 1104546082 XHSKQLSMNFFXLH-WPRPVWTQSA-N 304.310 -0.285 30 20 DBED C=CCCOCC(=O)N1CC(n2cc(CNC[C@H](C)O)nn2)C1 1105380843 HZUZGNXXJIXZDB-LBPRGKRZSA-N 323.397 -0.276 30 20 DBED N#Cc1cncc(NC[C@@H](O)CNC(=O)Cc2cc[nH]n2)n1 1105761619 DJPXUEQUOYDLKT-LLVKDONJSA-N 301.310 -0.797 30 20 DBED N#Cc1cnc(NC[C@@H](O)CNC(=O)Cc2ccon2)cn1 1105763492 JHJWJYNPXKUSCC-LLVKDONJSA-N 302.294 -0.532 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)C[C@@H]1CCNC1=O 1106873683 XFLVKLVEUOSKAK-NSHDSACASA-N 316.365 -0.443 30 20 DBED Cc1cc(=NC/C=C/CNC(=O)c2nnn(C)n2)c(C#N)c[nH]1 1107451120 LQLPGRAVXFEWMZ-ONEGZZNKSA-N 312.337 -0.395 30 20 DBED CN1CC[C@@H](C(=O)NC/C=C\CNc2ccc(C#N)nn2)C1=O 1107459930 KMAZXHYDIVMZBC-DLGQBQFBSA-N 314.349 -0.089 30 20 DBED C[C@H](CNc1ccc(C#N)nc1)NC(=O)C1CC(=O)NC(=O)C1 1107831252 UQBNKKHBUMBDTL-SECBINFHSA-N 315.333 -0.077 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)[C@H]1CCNC(=O)CC1 1108024840 WOPBMRYXSUZWIT-GHMZBOCLSA-N 316.365 -0.397 30 20 DBED C=CCOCC(=O)N[C@@H](C)CNc1ncnc2c1nnn2C 1108307747 RGNIQBPMYCWWDC-VIFPVBQESA-N 305.342 -0.123 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)[C@H]1CCCNC1=O 1108570138 BLSISTFVIIGHIP-UWVGGRQHSA-N 302.338 -0.787 30 20 DBED C[C@H](CN(C)c1cnc(C#N)cn1)NC(=O)c1cn(C)nn1 1108925552 WAKOGGQFQZNXDZ-SECBINFHSA-N 300.326 -0.269 30 20 DBED CNC(=O)C1(C(=O)N[C@H](C)CN(C)c2ccnc(C#N)n2)CC1 1109018646 QBWXIBKUCKMFNG-SNVBAGLBSA-N 316.365 -0.185 30 20 DBED CCOCC(=O)NC[C@@]1(O)CCN(c2cnc(C#N)cn2)C1 1111022977 SNHLVLUUWMIYJT-AWEZNQCLSA-N 305.338 -0.558 30 20 DBED COC(=O)NCC(=O)N(CCO)CCNc1ncccc1C#N 1111425269 CFIZXPYCWBWFCS-UHFFFAOYSA-N 321.337 -0.458 30 20 DBED CCC[C@@H](OC)C(=O)N(CCO)CCN=c1cc[nH]c(C#N)n1 1111546625 SJRYEXVKEJKARY-GFCCVEGCSA-N 321.381 -0.182 30 20 DBED C#CCO[C@H](C)C(=O)N1CCN([C@H]2CCCN(C)C2=O)CC1 1112846760 XJWFSNAGQYOUJS-KGLIPLIRSA-N 307.394 -0.210 30 20 DBED C=C(Cl)CN1CCN(C(=O)CN(C)C(=O)COC)CC1 1112917448 CWYWFYQPWVPHDY-UHFFFAOYSA-N 303.790 -0.012 30 20 DBED CC(=O)N[C@H](C)C(=O)NC[C@@H](C)N(C)c1ccnc(C#N)n1 1113508642 KZPXYWUANILAES-NXEZZACHSA-N 304.354 -0.186 30 20 DBED CC(=O)N[C@@H](C)C(=O)NC[C@@H](C)N(C)c1ccc(C#N)nn1 1113508871 MYUPQABPFRVXCF-ZJUUUORDSA-N 304.354 -0.186 30 20 DBED C[C@H](CNC(=O)[C@H]1CCNC1=O)N(C)c1ccc(C#N)nn1 1113802521 OOBMSBIPUMGHQA-KOLCDFICSA-N 302.338 -0.575 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3ncoc3C)[C@H]2C1 1113952383 CSVRSRXZFVRBHY-QWRGUYRKSA-N 302.334 -0.608 30 20 DBED CCCC(=O)NCC(=O)NC1[C@@H]2CN(CC#CCOC)C[C@@H]12 1113967811 BPCZEXBJBQFTTA-CHWSQXEVSA-N 307.394 -0.401 30 20 DBED C[C@@H]1CCN(c2ccnc(C#N)n2)C[C@@H]1NC(=O)CC(N)=O 1114007017 BXYASKKRFFLIJF-ZJUUUORDSA-N 302.338 -0.445 30 20 DBED Cc1nn(C)cc1C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1114053762 FUQNZDJBRVWBBC-IMRBUKKESA-N 316.365 -0.972 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)[C@H](C)CSC)[C@@H]2C1 1114054059 KRQYBNVNHNRNGA-IJLUTSLNSA-N 309.435 -0.219 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@H]1[C@@H]2CN(Cc3cnnn3C)C[C@@H]21 1114193885 IPEKTPRDXKXZPH-MXYBEHONSA-N 305.382 -0.311 30 20 DBED C=CCN1C[C@H]2[C@H](NC(=O)CCCn3c(O)nnc3O)[C@H]2C1 1114496823 UBDNDFIDMFWCBA-IAZYJMLFSA-N 307.354 -0.298 30 20 DBED C=CCCN1C[C@H]2[C@H](NC(=O)CCc3nnc(O)nc3O)[C@H]2C1 1114512558 BWOURSUYXFSUHM-IWIIMEHWSA-N 319.365 -0.162 30 20 DBED CO[C@@H](C)CC(=O)NC[C@H](CO)Nc1nc(C)cc(C#N)n1 1121192511 XNVROAVBJQOVFH-CMPLNLGQSA-N 307.354 -0.029 30 20 DBED C[C@@H](C(=O)NC[C@@H](CO)N=c1cc[nH]cc1C#N)n1cccn1 1121211859 ABARNWRNINITLA-AAEUAGOBSA-N 314.349 -0.278 30 20 DBED Cc1cc(CC(=O)NC[C@@H](CO)Nc2ccc(C#N)nn2)n[nH]1 1121288097 OTDGGLQQFWXZRS-LBPRGKRZSA-N 315.337 -0.489 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)C[C@@H]2COC(=O)C2)nc1 1121304429 XNFPQTOVRSGVKI-NWDGAFQWSA-N 318.333 -0.205 30 20 DBED CCn1nccc1C(=O)NC[C@H](CO)N=c1cc[nH]cc1C#N 1121376533 IIFDHNVNDKDVTB-GFCCVEGCSA-N 314.349 -0.206 30 20 DBED N#Cc1nc(=N[C@H](CO)CNC(=O)C[C@@H]2CCCOC2)cc[nH]1 1121600052 XZDKNMOIIXYAOO-RYUDHWBXSA-N 319.365 -0.524 30 20 DBED CN(C[C@H](O)CNc1ccc(C#N)nn1)C(=O)c1cnccn1 1124045686 IDQMRJJAFATWSN-LLVKDONJSA-N 313.321 -0.317 30 20 DBED COC(=O)c1nc(=NC[C@@H](O)CN(C)C(=O)[C@@H](C)C#N)cc[nH]1 1124191768 PGYYWDLGVWAXPM-VHSXEESVSA-N 321.337 -0.924 30 20 DBED C=CCCO[C@@H](C)C(=O)NCCNCC(=O)NC(=O)NC 1124488823 VOARETICQWCQDI-JTQLQIEISA-N 300.359 -0.871 30 20 DBED CC(C)(C)[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)CNC(N)=O 1125763006 KSXCLVWOIAOTJN-SECBINFHSA-N 319.369 -0.619 30 20 DBED C#CCO[C@@H](C)C(=O)NCCNCc1noc2c1COCC2 1127052264 SVDZISQDJWRNHG-NSHDSACASA-N 307.350 -0.009 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CCCN1C(C)C 1127082788 YVEUIZRPHOZQBC-KGLIPLIRSA-N 308.426 -0.297 30 20 DBED CN(CCOCCN=c1cc[nH]c(C#N)n1)C(=O)[C@@H]1CCCO1 1127170564 SDLNUIOUIPOAIB-LBPRGKRZSA-N 319.365 -0.164 30 20 DBED N#CCNC(=O)CNCCNC(=O)Cn1ccc(C(F)F)n1 1129034347 ZPODNPLKPFUKJE-UHFFFAOYSA-N 314.296 -0.834 30 20 DBED N#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)CCc2cnc[nH]2)C1 1129049521 ZTYNDUOSJXUUAJ-OLZOCXBDSA-N 314.353 -0.501 30 20 DBED CC#CCN[C@@H]1CN(C(=O)Cn2cccn2)C[C@@H]1n1ccnn1 1129579274 ZQEJIMIXSLQJFV-KGLIPLIRSA-N 313.365 -0.460 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)CC[C@H]1CCCN1C 1129845927 KTUVZELVZXXHNT-UONOGXRCSA-N 308.426 -0.296 30 20 DBED CNC(=O)CC(=O)NCc1c[nH]nc1[C@H]1CCN(CC#N)C1 1130380844 KHMOCBNMNJNSHB-JTQLQIEISA-N 304.354 -0.525 30 20 DBED C=CCNC(=O)CN1CCOC[C@H]1c1n[nH]c(CNC(C)=O)n1 1130819883 JDSCZUBPYKVPQY-NSHDSACASA-N 322.369 -0.884 30 20 DBED COC[C@H](C)C(=O)NCc1nc([C@H]2COCCN2CC#N)n[nH]1 1130834645 DCKDRZFRMLVMHU-WDEREUQCSA-N 322.369 -0.400 30 20 DBED C#CCNC(=O)CN1CC[C@@]2(C1)CN(C(=O)CC)C[C@@H](C)O2 1131621109 PYIULLQWSUATHX-CZUORRHYSA-N 307.394 -0.162 30 20 DBED C=CCNC[C@H]1CN(C(=O)c2cn(CC(N)=O)nn2)CC[C@@H]1C 1133336550 CDXQNKFVMHTKES-RYUDHWBXSA-N 320.397 -0.363 30 20 DBED COCC#CCN[C@@H](C)C[C@H](C)NC(=O)C(=O)NCC(F)F 1134819955 FZQYIBUUPDVLDW-QWRGUYRKSA-N 319.352 -0.110 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)Cc2nonc2C)C1=O 1146237775 AFYKHEHPQKOYMY-LLVKDONJSA-N 307.354 -0.587 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(CC#CCOC)CCCO1 1149721203 JUMGSWUESYZZNG-MRXNPFEDSA-N 322.405 -0.117 30 20 DBED Cc1noc(CCCC(=O)NCCNCC(=O)NCC#N)n1 1150942387 FGPJHNBYZFUPRZ-UHFFFAOYSA-N 308.342 -0.954 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)CCc1cnc[nH]1 1153760529 MULLDMQPZXEMLY-CYBMUJFWSA-N 319.409 -0.082 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@H](C)N1CCOCC1 1153849309 YVZTVEBRSMGSCX-OLZOCXBDSA-N 312.414 -0.896 30 20 DBED C#CCNC(=O)CN1CC=C(CCNC(=O)[C@@H]2CCOC2)CC1 1159498142 HMGXPRRYVJNQBT-OAHLLOKOSA-N 319.405 -0.089 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)c1ccn(C)c(=O)c1 1161179031 ABPVAFGGICWJPY-LBPRGKRZSA-N 318.377 -0.767 30 20 DBED C=CCNC(=O)CNCCCNC(=O)c1c(O)nnc(C)c1C 1163716471 DRSHQJPFLQCTPW-UHFFFAOYSA-N 321.381 -0.189 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)[C@H]1CCCC(=O)N1C 1174942941 JDBCMVXIKVQCBY-CHWSQXEVSA-N 324.425 -0.216 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H](OCC)C(C)C)C1 1182465616 AROFIHJYMOGWEV-HIFRSBDPSA-N 309.410 -0.013 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2cc(OC)ncn2)C1 1182615526 HUVQUIKMXIDBCC-LLVKDONJSA-N 317.349 -0.961 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CCCN2CC#C)C1 1183354215 WGGBFSUSOMAIRW-CABCVRRESA-N 316.405 -0.976 30 20 DBED C#CCNC[C@H]1CN(C(=O)CNC(=O)OC)CC12CCOCC2 1186273093 KZJRNWGHICOKGM-ZDUSSCGKSA-N 323.393 -0.180 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H](NC(C)=O)C(C)C)C1 1187246099 JXGGJGSVIBHIOP-UKRRQHHQSA-N 324.425 -0.360 30 20 DBED COc1cc(CN2C[C@@H](O)[C@H](NC(=O)[C@H](C)C#N)C2)ccn1 1191853233 CUBFASBMRDXMKU-RAIGVLPGSA-N 304.350 -0.089 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H](N(C)CC(=O)N(C)C)C2)nn1 1192724013 PRNZXKVXNLYMMC-LBPRGKRZSA-N 320.397 -0.301 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)c2cnc(C3CC3)o2)C1 1193849107 HBINCANSUQSGFW-CHWSQXEVSA-N 319.361 -0.023 30 20 DBED N#CCNC(=O)CN1CCCN(C(=O)C2=COCCC2)CC1 1195182086 HCNMMIJRFYLTOW-UHFFFAOYSA-N 306.366 -0.145 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN([C@@H](C)c2nncn2C)C[C@H]1O 1199307264 GEFFYBCPBHBPIS-YNEHKIRRSA-N 323.397 -0.370 30 20 DBED Cn1cc(C(N)=O)cc1C(=O)N1CCCO[C@@H](CNCC#N)C1 1200894412 LNAHSXUSPADMNK-LBPRGKRZSA-N 319.365 -0.532 30 20 DBED C#CCNC[C@H]1CN(C(=O)COC2CCN(C)CC2)CCCO1 1201726712 MUIAVWSTFNTMSF-INIZCTEOSA-N 323.437 -0.063 30 20 DBED C#CCNC[C@H]1CN(C(=O)c2c[nH]c(C(N)=O)c2)CCCO1 1202071216 YQTSRAPIXCFPKR-LBPRGKRZSA-N 304.350 -0.433 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)Cn2ccc(C)n2)CC1 1202538944 GCGBRGUGUBANID-UHFFFAOYSA-N 317.393 -0.478 30 20 DBED C=CCOCCNC1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 1202688336 LDUFEGGRYUXFTJ-LBPRGKRZSA-N 324.381 -0.632 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)CCc2cn[nH]c2)CC1 1202854824 AEAFDDUSZTTWQJ-UHFFFAOYSA-N 317.393 -0.328 30 20 DBED C#CCCNC1CCN(C(=O)[C@@H]2CN(C(C)=O)CCO2)CC1 1203545478 YGFCJWDOJJOQIP-HNNXBMFYSA-N 307.394 -0.162 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)c2nnn(C)c2C)C1 1207732038 YXBFZBKNWGMMIJ-GFCCVEGCSA-N 318.381 -0.933 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)c2ocnc2C)C1 1207745949 WMCHMNABAWZPTP-GFCCVEGCSA-N 304.350 -0.073 30 20 DBED C#CCN[C@H]1CCCN(C(=O)[C@@H](C)NS(=O)(=O)CC)C1 1208110581 NZGBHNLQACABCH-NEPJUHHUSA-N 301.412 -0.472 30 20 DBED C#CCCN[C@H]1CCCN(C(=O)CCS(=O)(=O)N(C)C)C1 1211219654 RHYSTDSIUNJTHU-ZDUSSCGKSA-N 315.439 -0.128 30 20 DBED C=CCCN1C[C@@H](NC(=O)CC[C@@H]2NC(=O)NC2=O)[C@H](OC)C1 1213829350 QXHLOOYOPSTVMZ-QJPTWQEYSA-N 324.381 -0.634 30 20 DBED CCC(=O)N[C@@H](C)C(=O)N1C[C@@H](NCC#CCOC)[C@H](C)C1 1214692925 OIROMVRVPCKXBW-HZSPNIEDSA-N 309.410 -0.013 30 20 DBED CC#CCN[C@@H]1CN(C(=O)[C@@H]2Cc3cncn3C(=O)N2)C[C@H]1C 1215202115 OYOKFLLHTGAVKX-KWCYVHTRSA-N 315.377 -0.175 30 20 DBED C[C@@H]1CN(C(=O)Cc2ncc[nH]2)C[C@H]1NCC(=O)NCC#N 1216062130 ZGQRGOMNRIDZFU-GHMZBOCLSA-N 304.354 -0.972 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C(C)(C)C2CC2)C1 1220196380 OTVRRWUACDJYPH-OLZOCXBDSA-N 307.394 -0.667 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)N[C@@H]1CN(CCF)C[C@@H]1O 1221089798 QCFYHCVAZDZOMS-MNOVXSKESA-N 316.377 -0.619 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)c2ncccc2O)CC1 1226978643 YPDFTDLSUYFLJP-UHFFFAOYSA-N 316.361 -0.269 30 20 DBED COCC#CCN1CCC(NC(=O)[C@@H]2CC(=O)N(C)C2)CC1 1227629672 ZQXNCGRKCHKPNK-CYBMUJFWSA-N 307.394 -0.305 30 20 DBED CN(C)CCCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCC#N 1228255079 OYRQANFNMJPGEX-ZIAGYGMSSA-N 323.441 -0.015 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@H]1CN(C)C(=O)c1cn(C)cn1 1233612416 XEHMOWMBNZUCIS-STQMWFEESA-N 317.393 -0.296 30 20 DBED CC#CCN1CC[C@@H]1CN(C)C(=O)CNS(=O)(=O)CC 1234924350 RDEKNQIAYIEGIT-GFCCVEGCSA-N 301.412 -0.518 30 20 DBED C#CCCNC(=O)N(CC)CC(=O)N[C@H]1CCS(=O)(=O)C1 1261214542 YCAVDPUMKXNXCJ-NSHDSACASA-N 315.395 -0.656 30 20 DBED C[C@@H]1CN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)[C@H](C)CO1 1261850125 ZVIVOQNWRANRIM-YRGRVCCFSA-N 320.393 -0.179 30 20 DBED CCOCCS(=O)(=O)NCC(=O)N1CCC(C#N)CC1 1319086505 OPGFATNMXLVPDD-UHFFFAOYSA-N 303.384 -0.296 30 20 DBED COC[C@@](C)(C#N)NC(=O)c1ccnc2c(C(N)=O)cnn12 1319669957 ACONHLVCRRFGGG-CYBMUJFWSA-N 302.294 -0.513 30 20 DBED N#CCn1cc(NC(=O)C(=O)NCCOc2cccnc2)cn1 1322804704 MDWIGEDGGXBHNJ-UHFFFAOYSA-N 314.305 -0.065 30 20 DBED Cn1cc(CCCNC(=O)C(=O)N2CC[C@](O)(CC#N)C2)cn1 1326120748 NMCZTNNODMPOEZ-OAHLLOKOSA-N 319.365 -0.654 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@]3(CN)C2)CCO1 1327413564 UXVABRFCQLVZEO-HUBLWGQQSA-N 306.366 -0.675 30 20 DBED C=CCOCCNC(=O)C(=O)N1CCO[C@@H](COC(C)C)C1 1327424357 DJMWXIBWAYZDDU-CYBMUJFWSA-N 314.382 -0.042 30 20 DBED C=C(C)COCCNC(=O)C(=O)N[C@H]1CC(=O)N(C2CC2)C1 1329042078 RPQWRKXRKMCSML-NSHDSACASA-N 309.366 -0.425 30 20 DBED C=CCOCCNC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1329455942 WDMGRJXSVSTSDF-ZDUSSCGKSA-N 306.366 -0.496 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1Cn1nnnc1N1CCN(C)C(=O)C1 1334255957 QRSVMVUWQHNRBF-YPMHNXCESA-N 306.370 -0.067 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N1CC[C@H](C(=O)OCC)C1 1336440555 ODACRQZQJRAILQ-ZDUSSCGKSA-N 324.377 -0.104 30 20 DBED C#CCNC(=O)CCN[C@H](c1cnn(C)c1)c1noc(C)n1 1338547805 BGHVXLLLYBRGRS-CYBMUJFWSA-N 302.338 -0.070 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C)c2n[nH]c(C)n2)C1=O 1346132049 XPFBKJZBEZPSAM-SSDOTTSWSA-N 320.309 -0.733 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N2CC(=O)N[C@@H]3CCCC[C@@H]32)CCO1 1348209446 YXRXCVPPIUFILX-UTUOFQBUSA-N 320.349 -0.993 30 20 DBED CN1CCN(C(=O)C(=O)NCc2ccc(C#N)c(F)c2)CC1=O 1349737142 UFSFIELPSZQPJP-UHFFFAOYSA-N 318.308 -0.386 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)NCCCNC2CC2)CCN1C1CC1 1353049139 SCVISILTRLPCFR-CQSZACIVSA-N 319.409 -0.557 30 20 DBED C#CCN(C(=O)C(=O)N(C)CC(=O)N1CCOCC1)C(C)C 1356386260 OYFJANIURBPKPW-UHFFFAOYSA-N 309.366 -0.826 30 20 DBED N#Cc1cn(CCC(=O)NCCN2CCCC2)c(=O)nc1O 1362039681 VYEAWNHBPQMXGO-UHFFFAOYSA-N 305.338 -0.577 30 20 DBED C[C@H]1C[C@@H](NC(=O)CCn2cc(C#N)c(O)nc2=O)C(=O)O1 1363374535 RCVMBMSKTRNXFF-IONNQARKSA-N 306.278 -0.969 30 20 DBED CCCC(=O)NCC1(O)CN(CC(=O)N(CC)CCC#N)C1 1380573331 PORANXHLZKHVKZ-UHFFFAOYSA-N 310.398 -0.288 30 20 DBED CC(C)NC(=O)NCCN1CC(O)(CNC(=O)[C@@H](C)C#N)C1 1393307815 ZBUVEHWJWJVBCF-NSHDSACASA-N 311.386 -0.983 30 20 DBED CCCc1nc(C(=O)NC[C@H](O)CNC(=O)[C@H](C)C#N)co1 1399863922 IHQGPPFEZQQRMK-NXEZZACHSA-N 308.338 -0.006 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1ccnc(N(C)C)c1 1399869525 NPTGEGSVGBLQEX-JQWIXIFHSA-N 319.365 -0.486 30 20 DBED C[C@@H](C#N)C(=O)NCC1CN(C(=O)C[C@@H]2CCC(=O)NC2)C1 1416122501 XDFUCOYXHPLGSG-QWRGUYRKSA-N 306.366 -0.363 30 20 DBED C[C@H](C#N)C(=O)N1CCC(N(CCO)Cc2nnnn2C)CC1 1417861067 MAGVDFYFBWJNLW-LLVKDONJSA-N 321.385 -0.845 30 20 DBED C[C@H](O)[C@H](NC(=O)C1CCCC1)C(=O)N1CC[C@](O)(CC#N)C1 1418179920 YAFXMJPGCLUOLD-DETPVDSQSA-N 323.393 -0.081 30 20 DBED COCC(=O)NC[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)CCCO1 1426298518 RAAOUGBAIBKNGD-ZDUSSCGKSA-N 320.349 -0.120 30 20 DBED CCn1cc(C(=O)NCCN(C)C(=O)c2c[nH]c(C#N)c2)nn1 1431477486 DCEDWHONZHGCLT-UHFFFAOYSA-N 315.337 0.000 30 20 DBED CCN(CCNC(=O)[C@H](C)C#N)C(=O)c1cn(C)c(=O)n1C 1431686298 ARWZBASDIWXEEK-SNVBAGLBSA-N 307.354 -0.538 30 20 DBED C[C@H]1C[C@H](NC(=O)Cn2cc(C#N)c(O)nc2=O)C[C@@H](C)O1 1447255335 BWNQEUDVGNWMGR-DOFRTFSJSA-N 306.322 -0.107 30 20 DBED C[C@H]1[C@@H](O)CCN1C(=O)CNS(=O)(=O)c1cccc(C#N)c1 1457806366 MHOSBINNHCIDJF-GWCFXTLKSA-N 323.374 -0.182 30 20 DBED Cn1c(=O)[nH]c(NC[C@@H]2CN3CCC[C@@H]3CO2)c(C#N)c1=O 1472677091 GONFWBVIUWVWLS-NXEZZACHSA-N 305.338 -0.780 30 20 DBED C=CCCNC[C@@H]1CCCCN1C(=O)C[C@H](NC(C)=O)C(N)=O 1491263753 BBLBEQKSQOXZAG-KBPBESRZSA-N 324.425 -0.087 30 20 DBED CO[C@H](C)c1noc(CN2CC(O)(CNC(=O)[C@@H](C)C#N)C2)n1 1500805954 BUDNHHAUSZGSIM-VHSXEESVSA-N 323.353 -0.400 30 20 DBED COc1cnc(C(=O)N(C)C[C@@H](O)CNC(=O)[C@@H](C)C#N)nc1 1511579294 MTGWRXQUIXIBCO-UWVGGRQHSA-N 321.337 -0.806 30 20 DBED C#CC[C@H](C)OC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 1516697069 SVJXLRREOQSWOJ-JTQLQIEISA-N 318.333 -0.221 30 20 DBED COc1c(O)nc(O)nc1C(=O)N(CC#N)Cc1cnn[nH]1 1577038698 YKERDBSXDQCCMP-UHFFFAOYSA-N 305.254 -0.820 30 20 DBED CN1CCN(C)[C@H](CNc2cnc(C#N)c(-c3nn[nH]n3)n2)C1 1579374988 MOMZAQHLHFFLLH-SECBINFHSA-N 314.357 -0.814 30 20 DBED C#C[C@@H]1CCCN(C(=O)C(=O)N(CCOC)CCC(=O)O)C1 1588386678 UMZLYJTZMKKQKB-GFCCVEGCSA-N 310.350 -0.192 30 20 DBED C=CCN([C@H]1CCN(CC(=O)O)C1=O)[C@@H]1CCS(=O)(=O)C1 1588463207 CUDULYUYKQITLF-MNOVXSKESA-N 316.379 -0.653 30 20 DBED C#CCOCCC(=O)N[C@H]1CCN(c2ccnc(C(=O)O)n2)C1 1588490204 VQSSETFTTDLSTL-NSHDSACASA-N 318.333 -0.090 30 20 DBED N#C[C@H]1CC[C@@H](NC(=O)C(=O)N2CCO[C@@H](CC(=O)O)C2)C1 1601078997 BIQJTYHBLPRPDS-AXFHLTTASA-N 309.322 -0.503 30 20 DBED C#CC[C@@H](NC(=O)c1cccc(-n2[nH]nnc2=N)c1)C(=O)O 1602693060 FGZIRXMGPDIVQC-SNVBAGLBSA-N 300.278 -0.719 30 20 DBED C=CCn1cc(C(=O)N2CC(NC(=O)[C@H]3C[C@@H]3C(=O)O)C2)nn1 1602937588 AZYLUBRJEYLYRE-UWVGGRQHSA-N 319.321 -0.875 30 20 DBED C[C@]1(C#N)CN(C(=O)C(=O)N2CCC[C@H](C(=O)O)C2)CCO1 1603290898 YOTGUNHCSUNKSS-HZMBPMFUSA-N 309.322 -0.549 30 20 DBED COCCCNC(=O)Cn1c(C)nc(-c2nn[nH]n2)c1C#N 1605089038 KMQAEOYUIFVRAR-UHFFFAOYSA-N 304.314 -0.604 30 20 DBED CN(C(=O)COC(=O)Cn1cc(C(=O)O)cn1)C(C)(C)C#N 1605965942 PVZXHFABIHAENC-UHFFFAOYSA-N 308.294 -0.115 30 20 DBED N#Cc1cc(=O)n(CC(=O)Nc2cccc(-c3nn[nH]n3)c2)cn1 1606360316 SWTYIXJBHRQKGP-UHFFFAOYSA-N 322.288 -0.066 30 20 DBED Cc1ncc(S(=O)(=O)N2CC(C#N)C2)cc1-c1nn[nH]n1 1609456036 XTBGFPIFVOYBRP-UHFFFAOYSA-N 305.323 -0.286 30 20 DBED CC#CC[C@H](NS(=O)(=O)c1c[nH]c(C(=O)O)c1)C(=O)O 1609489240 XFLIDHYKEPPVHU-QMMMGPOBSA-N 300.292 -0.142 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@H]1CCCN(CC(=O)NC(N)=O)C1 1665050168 ORPTVWNGPGAPNO-HZMBPMFUSA-N 312.370 -0.911 30 20 DBED N#CCNC(=O)CN1C[C@H]2[C@H](CNC(=O)C[C@H]3CCOC3)[C@H]2C1 1675539100 LMPPNNITUDWZPB-SYQHCUMBSA-N 320.393 -0.653 30 20 DBED C#CCNC(=O)[C@H](C)N(CC)CCCNC(=O)[C@H]1COC(=O)N1 1752180115 AYAREYQYZSEOHG-NWDGAFQWSA-N 324.381 -0.939 30 20 DBED COCC#CCNC[C@@H]1CCN(C(=O)c2cn(C)c(O)n2)C1 1752950115 LWIUYZSYLXTNIV-LBPRGKRZSA-N 306.366 -0.173 30 20 DBED C#CCNC(=O)CN1CC[C@@H](CNC(=O)c2ccncn2)C1 1753135915 QGYZBJKDZVTJCL-LBPRGKRZSA-N 301.350 -0.722 30 20 DBED C#CCNC(=O)CN1CCO[C@@H](CNC(=O)/C=C(\C)CC)C1 1753650760 ZBNQXLICUHPADP-SSUFTNFISA-N 307.394 -0.091 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H](O)CNCc1cc(C)ncn1 1753911918 XOZOOEOOXDGSCP-JSGCOSHPSA-N 306.366 -0.610 30 20 DBED Cn1nnc(C(=O)NC[C@H](O)CNCC#N)c1C(F)(F)F 1753929406 BPXBVFOWZGRJTE-ZCFIWIBFSA-N 306.248 -0.962 30 20 DBED C=CC(C)(C)CC(=O)N[C@H](C)CNCC(=O)N1CCNC(=O)C1 1754227662 JVBXZWSNAJOWAL-GFCCVEGCSA-N 324.425 -0.359 30 20 DBED C=CCNC(=O)CN(C)C[C@H](C)NC(=O)[C@H]1CCCC(=O)N1C 1754343323 RTLFZZOWINEWKN-QWHCGFSZSA-N 324.425 -0.264 30 20 DBED C#CCNC[C@@H]1CCCN1C(=O)CS(=O)(=O)CCOC 1754613628 RDNYNCMBBAQAMZ-LBPRGKRZSA-N 302.396 -0.739 30 20 DBED C=C(C)CNC[C@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@H]1C 1754815919 ZYDHHCCHFXESEU-NEPJUHHUSA-N 320.397 -0.363 30 20 DBED N#CCNC1CCN(CCNC(=O)CN2CCCNC2=O)CC1 1754849491 UXQJCRAHYUVARX-UHFFFAOYSA-N 322.413 -0.905 30 20 DBED C#CCN1CC2(CC[C@H](CNC(=O)CO[C@@H]3CCOC3)O2)C1 1755054688 SPNBGGMDNHGPNN-ZIAGYGMSSA-N 308.378 -0.225 30 20 DBED C#CCN1CC[C@H](NC(=O)C[C@H](NC(C)=O)C(N)=O)C(C)(C)C1 1755142520 RQCHBYZKNHGGRI-STQMWFEESA-N 322.409 -0.784 30 20 DBED C#CCCN(C)[C@H](C)CNC(=O)[C@H](CCC)S(N)(=O)=O 1755309623 FIKCNMSTMZMGMY-NEPJUHHUSA-N 303.428 -0.097 30 20 DBED C#CCNC(=O)[C@H](C)N1CC(CCO)(NC(=O)C2CCCC2)C1 1755330310 QDTWCQHMWYHKIT-ZDUSSCGKSA-N 321.421 -0.133 30 20 DBED C#CCN[C@H](C)[C@@H]1CN(C(=O)c2cncc(OC)n2)CCO1 1755458187 CCBXWAYAETXBQA-YPMHNXCESA-N 304.350 -0.063 30 20 DBED C#Cc1ccc(C(=O)N2CCO[C@@H]([C@@H](C)NCC(N)=O)C2)cn1 1755462714 YNESKJZKQAEWBO-BXUZGUMPSA-N 316.361 -0.633 30 20 DBED C#CCNC[C@H]1C[C@H](NC(=O)Cn2c(C)cc(C)nc2=O)C1 1755479931 FLLBGUACSAZKRA-HDJSIYSDSA-N 302.378 -0.022 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H](CO)CNC(=O)C1CCCCC1 1755621303 LHJQKRPETNHDLU-GXTWGEPZSA-N 309.410 -0.229 30 20 DBED C=C[C@@](C)(O)CC(=O)N(C)C[C@H](O)CN(C)Cc1cnon1 1755800162 FHZYHHQLCHYIIH-TZMCWYRMSA-N 312.370 -0.352 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(CCO)(NC(=O)[C@@H](F)CC)C1 1756087102 VXVCELDYCXEGOU-NEPJUHHUSA-N 314.357 -0.148 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(C(=O)[C@@H](C)n2cncn2)C[C@H]1O 1756993953 XDXVFLQFYWQGPA-JHJVBQTASA-N 319.365 -0.814 30 20 DBED CC(=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC#N)C[C@@H]21 1786344064 QZPQWHGBTKCJQD-AVGNSLFASA-N 307.350 -0.141 30 20 DBED COCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CC1 1795408027 LRODUZIOYJNFMJ-PTEHBNRSSA-N 307.350 -0.474 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN)C3)c1 1798693874 AHMXIQZGIUIVND-GNXNZQSNSA-N 317.349 -0.952 30 20 DBED CN(CCC#N)S(=O)(=O)NCCCCN1CCC[C@@H]1CO 161695906 FUPKMNRHDRCFRC-CYBMUJFWSA-N 318.443 -0.097 30 20 DBED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NCCOCCOC 284339986 VEVWYBJFOWVJFC-QWHCGFSZSA-N 314.382 -0.137 30 20 DBED C=CCCOCCNC(=O)C(=O)N1CC(=O)N[C@H]2CCCC[C@@H]21 289418374 PKQAATDCNIUZAL-STQMWFEESA-N 323.393 -0.035 30 20 DBED C#CCNS(=O)(=O)c1cccc(C(=O)NCCC(=O)NC)c1 299075837 KWDDVBIERRELAL-UHFFFAOYSA-N 323.374 -0.536 30 20 DBED Cn1cc(/C(O)=N/[C@@H](CO)CN2CCCCC2)c(O)nc1=O 329166792 IGXFNEWHPGHXAV-SNVBAGLBSA-N 310.354 -0.363 30 20 DBED CCN(CC)C(=O)[C@H]1CCCN1/C(O)=N/Cc1nnn(C)n1 330313739 OVMGKYVVPGBWIQ-SNVBAGLBSA-N 309.374 -0.043 30 20 DBED CC(C)C/N=C(/O)NC(=O)[C@@H](C)N1CCN(C(=O)CO)CC1 330487143 FQRXHDPVFTUTOD-LLVKDONJSA-N 314.386 -0.802 30 20 DBED Cc1onc(CC(=O)N2CC(OCC(=O)N(C)C)C2)c1C#N 331762916 JPCGVOOEJNARJJ-UHFFFAOYSA-N 306.322 -0.287 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N1CCS(=O)(=O)CC[C@H]1C 332062805 ZFVLXVLEYXXNGT-GHMZBOCLSA-N 323.440 -0.168 30 20 DBED CC[C@@H]1CN(C(=O)Cn2cnc(C#N)n2)C[C@H]1N1CCOCC1 332199975 RKMMQNXEUYDULM-CHWSQXEVSA-N 318.381 -0.281 30 20 DBED CCOCCN1CCN(S(=O)(=O)N(C)C[C@H](C)C#N)CC1 337055965 CDDJTIWTBHQECR-CYBMUJFWSA-N 318.443 -0.023 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@@H]2[C@@H]4O)CCO1 337223220 CZQYVIWOVPGNKX-LSUSWQKBSA-N 313.379 -0.843 30 20 DBED Cn1c(=O)ccn(CC(=O)NC2(C#N)CCSCC2)c1=O 339488710 QKMXOTQXWNYJHP-UHFFFAOYSA-N 308.363 -0.547 30 20 DBED CC1CC(NS(=O)(=O)CCCS(=O)(=O)NCC#N)C1 349553173 OOJJUKUKKPTEKK-UHFFFAOYSA-N 309.413 -0.463 30 20 DBED C[C@@H](CC#N)NS(=O)(=O)c1cccc(S(N)(=O)=O)c1 351530153 REAYSTPNRAWFDL-QMMMGPOBSA-N 303.365 -0.086 30 20 DBED N#Cc1ccc(C(=O)CNC(=O)CN2CC(=O)NC2=O)cc1 356142291 STWDOKHMJQHOCU-UHFFFAOYSA-N 300.274 -0.591 30 20 DBED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2C[C@@H](C)[C@@H](CO)C2)n1 362031220 YWBBQMPXCHDCCD-ZYHUDNBSSA-N 319.365 0.361 30 20 DBED CCN(CC)CCN(CCOC)C(=O)Cn1cnc(C#N)n1 426459933 MIUYJYWVXWLLGM-UHFFFAOYSA-N 308.386 -0.033 30 20 DBED N#Cc1ccc(NCC(=O)N2CCC[C@@H](OCCO)C2)nc1 444533071 XRRVKNKAZCOJQP-CYBMUJFWSA-N 304.350 0.365 30 20 DBED CC(C)(C)OC(=O)NC1CC(=NNC(=S)NCC(N)=O)C1 495649980 GEQQNZDDPQETGY-UHFFFAOYSA-N 315.399 -0.021 30 20 DBED C[C@@H]1CN(CCNc2c(C#N)c(=O)n(C)c(=O)n2C)CCO1 523077580 FHEZYFRZMFJISQ-SNVBAGLBSA-N 307.354 -0.912 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H]([C@H](C)O)C2)C1=O 532628123 ZSXJXIRZIHKFGX-QWRGUYRKSA-N 323.349 -0.417 30 20 DBED N#Cc1cc(N2CCN(C(=O)C(=O)NC3CC3)CC2)ncn1 565929663 CYOWXXNVIXJSTM-UHFFFAOYSA-N 300.322 -0.725 30 20 DBED CN(C[C@@H](O)CNc1cc(C#N)cnn1)c1cc(C#N)cnn1 596241866 ITIVXHKECXBSSU-LBPRGKRZSA-N 310.321 -0.081 30 20 DBED C[C@@H](C(=O)N(C)CCCc1[nH]nc(N)c1C#N)[C@H]1CCC(=O)N1 599732158 LHUOBIMAYFDOSQ-MWLCHTKSSA-N 318.381 0.169 30 20 DBED N#C[C@]1(NC(=O)CCN2CCCS2(=O)=O)CCSC1 604174570 HXJXSJZKTABPQR-LLVKDONJSA-N 303.409 -0.073 30 20 DBED CNC(=O)[C@H]1CN(S(=O)(=O)c2cccc(CC#N)c2)CCO1 619496052 YFVOKXPMWYWGMX-CYBMUJFWSA-N 323.374 -0.112 30 20 DBED C=CCC[C@@H](CO)NS(=O)(=O)CCCN1CCN(C)CC1 632425462 SVTXEMJQJCMHGK-AWEZNQCLSA-N 319.471 -0.130 30 20 DBED Cn1c(=O)n(CCC(=O)OCC(=O)NCC#N)c2ccccc21 731237974 UPUUCRJXYBGXCM-UHFFFAOYSA-N 316.317 -0.087 30 20 DBED C[C@H](CC(=O)NCCO)/N=C1/NS(=O)(=O)c2ccccc21 768926669 WZDMXPDRVNTGMX-SECBINFHSA-N 311.363 -0.388 30 20 DBED COC(=O)Cn1cc(C(C)=NNc2ncnc3[nH]cnc23)nn1 772840929 PSBUHXMXTJENBH-UHFFFAOYSA-N 315.297 -0.047 30 20 DBED CC1(C)OCC(CO)(NCC(=O)N(CCC#N)CCC#N)CO1 787999493 OBPVXKAEOIQFQS-UHFFFAOYSA-N 324.381 -0.254 30 20 DBED COC(=O)N1CC(C)(Nc2c(C#N)c(=O)n(C)c(=O)n2C)C1 790086217 NQMHRNDMTASJJG-UHFFFAOYSA-N 307.310 -0.792 30 20 DBED Cc1cc(NC(=O)NC[C@H]2CC(C(N)=O)=NO2)nn1CCC#N 794253814 BOFQTALLNKFXQL-SECBINFHSA-N 319.325 -0.143 30 20 DBED N#CCNC(=O)CNC(=O)NCC[S@@](=O)Cc1ccccc1 805125805 KINYTCVEMMEHGS-JOCHJYFZSA-N 322.390 -0.126 30 20 DBED C[C@@](C#N)(CC(=O)O)C(=O)N1CCO[C@H](Cn2cncn2)C1 819824508 YQGQIEPQVDTSAX-GWCFXTLKSA-N 307.310 -0.490 30 20 DBED C#CCCN(CCOC)C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1OC 821141504 QGQHGVICSAHILA-VXGBXAGGSA-N 318.395 -0.520 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1cc(C(=O)O)no1 833376684 OMFSSDDVLCPBTG-ZCFIWIBFSA-N 311.250 -0.070 30 20 DBED C=CCN1CCN(CN2CCCN(S(C)(=O)=O)CC2)C1=O 839961260 WMSDYKFTZRKFHQ-UHFFFAOYSA-N 316.427 -0.165 30 20 DBED C#CCSCCNC(=O)c1nc(N)nc(N2CCOCC2)n1 845591014 YHNGRQQEPQHJGE-UHFFFAOYSA-N 322.394 -0.613 30 20 DBED C[C@@H](CN)NC(=O)C(=O)N1CCN(c2ccsc2C#N)CC1 851688748 FPSMLEUOJPEUFM-JTQLQIEISA-N 321.406 -0.268 30 20 DBED C#CCONC(=O)Cc1c(C(=O)NOCC#C)c(C)cn1C 855606968 TWBRDVKWDCSWKZ-UHFFFAOYSA-N 303.318 -0.148 30 20 DBED C#CCCN(CCOC)C(=O)C1CCN(S(N)(=O)=O)CC1 856386240 RQXDBYAZJUFJIL-UHFFFAOYSA-N 317.411 -0.600 30 20 DBED N#CCCN1CCN(C(=O)C(=O)N2CCC3(C2)OCCO3)CC1 867437720 BSYCJCYBVLWZIU-UHFFFAOYSA-N 322.365 -0.980 30 20 DBED C#C[C@H](NC(=O)N1CC(NS(C)(=O)=O)C1)[C@H]1CCCO1 875506914 REHNYXCNLYWEPT-WDEREUQCSA-N 301.368 -0.890 30 20 DBED CN(C)CC#CCNC(=O)c1ccc(S(=O)(=O)N(C)C)nc1 913521257 QYZKCEQTEUDXRY-UHFFFAOYSA-N 324.406 -0.373 30 20 DBED COCCOC1(CNC(=O)NCC#CCO)CCOCC1 923766216 LQILNFDOGVEVLP-UHFFFAOYSA-N 300.355 -0.507 30 20 DBED CCN(CCC#N)C(=O)CN1CCN(c2n[nH]c(C)n2)CC1 931626957 VWEGKYOYDOAGAD-UHFFFAOYSA-N 305.386 -0.003 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CN1CCCC1=O 936340937 CJVOTAIWWDJDFX-SRVKXCTJSA-N 304.350 -0.420 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@H](NC(=O)Cn3cncn3)C2)c1 938881556 KSUXUIQGYFMQDQ-NSHDSACASA-N 313.321 -0.491 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2nc(O)nc(O)c2OC)C[C@H]1C 939525961 XYZXAWJMDTWEHC-RKDXNWHRSA-N 306.322 -0.420 30 20 DBED C[C@H]1CN(CC#N)CC[C@@H]1NC(=O)c1cnc(O)n(C)c1=O 942552171 BXPOVLPFHNQIIW-ONGXEEELSA-N 305.338 -0.550 30 20 DBED Cn1ccc(C(=O)NC[C@@H]2CN(C(=O)C#CC3CC3)CCO2)n1 944600408 JUPGJXQELANMGV-CYBMUJFWSA-N 316.361 -0.209 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@H](CNC(=O)c2ccncn2)C1 944734619 RTYYCBOKPWEZEO-WDEREUQCSA-N 303.322 -0.407 30 20 DBED C#CCN1C[C@H]2CCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)CC[C@H]2C1 946800656 HRTRQVSEXBNIGF-XQQFMLRXSA-N 318.377 -0.612 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)C[C@H]1CCNC1=O)CCO2 949112069 KVUKBMACYNQPNM-CQSZACIVSA-N 319.405 -0.161 30 20 DBED C[C@H](C#N)C(=O)N1CC(N(C)C(=O)c2cccc(C(N)=O)n2)C1 954568562 ZLRSDLCIOUTSEI-SECBINFHSA-N 315.333 -0.377 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@@H]2CCC(=O)N2)C1 954918790 VSCJKRBLESTXQY-AGIUHOORSA-N 321.377 -0.475 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2CCCN2C(=O)CC(N)=O)cn1 955936991 SKNXNVVCTGYQPW-ZDUSSCGKSA-N 314.345 -0.341 30 20 DBED CC#CCN1C[C@H](O)[C@H](CNC(=O)c2c3c(nn2C)CCC3)C1 958588834 YYGWWOULDCYQJW-DOMZBBRYSA-N 316.405 -0.045 30 20 DBED CN1CC[C@@H](N2C[C@H]3[C@H](NC(=O)c4ccc(C#N)[nH]4)[C@H]3C2)C1=O 958589698 FKOWYJZEQMGVFP-WVWOOGAGSA-N 313.361 -0.223 30 20 DBED C=CCNC1CC2(C1)CC(NC(=O)CN1CCN(C)C(=O)C1)C2 964087436 BAFSGFUDIPWEDD-UHFFFAOYSA-N 320.437 -0.037 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CN(C(=O)CC(C)(C)O)CCO2)C1 965366449 YZHRZTRYAUXVOB-LLVKDONJSA-N 309.366 -0.253 30 20 DBED O=C(C#CC1CC1)N1CC2(C1)CN(C(=O)c1nc[nH]n1)CCO2 965447222 RCFCODXRBOOEJI-UHFFFAOYSA-N 315.333 -0.729 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)[C@@]3(C)CNC(=O)C3)C2)C1 972481061 XKNWBGYHKSRKPA-HZPDHXFCSA-N 305.378 -0.551 30 20 DBED N#Cc1cc(C(=O)N[C@H]2C[C@H](NC(=O)Cc3nc[nH]n3)C2)c[nH]1 973189472 VEFYIYKAXGYTFQ-MGCOHNPYSA-N 313.321 -0.376 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)c3nnn(C)n3)C[C@H]21 974983178 WEQAYBUWDYNAGA-IVZWLZJFSA-N 303.326 -0.957 30 20 DBED Cn1c(=O)ccn(CC(=O)N[C@H]2CCC[C@@H](NCC#N)C2)c1=O 981124688 LQDZVMJILPAQDK-NEPJUHHUSA-N 319.365 -0.912 30 20 DBED CC#CCN1C[C@@]2(C)CN(C(=O)[C@@H]3CNC(=O)N3)C[C@@]2(C)C1 982496730 MRNAIJVCAIKGHS-VBNZEHGJSA-N 304.394 -0.139 30 20 DBED C[C@@H]1[C@@H](NCC#N)CCN1C(=O)CN1C(=O)NC(C)(C)C1=O 987459249 KFTDBRRWUQARAU-ZJUUUORDSA-N 307.354 -0.581 30 20 DBED C#CCCN1CCCN(C(=O)CN2C(=O)NC(C)(C)C2=O)CC1 989607684 XFMCBJXJCPHYOV-UHFFFAOYSA-N 320.393 -0.126 30 20 DBED C[C@H]1C[C@@H](NCC#N)CN1C(=O)CN1C(=O)NC(=O)C1(C)C 989647433 WIUDQYVYMDMGDX-VHSXEESVSA-N 307.354 -0.581 30 20 DBED C=CCN1CC[C@@]2(NC(=O)CN3C(=O)CNC3=O)CCC[C@H]12 992476543 PEVPUOFJYQKJBJ-NHYWBVRUSA-N 306.366 -0.163 30 20 DBED N#CCN[C@@H]1CCC[C@@H]2CN(C(=O)Cn3cnnc3O)C[C@H]21 992699354 SUOHJWHNWCCPBL-IJLUTSLNSA-N 304.354 -0.276 30 20 DBED C[C@@H]1[C@H](NC(=O)CN2CCCS2(=O)=O)CCCN1CC#N 993411450 HWIAKVRJFVUBHP-VXGBXAGGSA-N 314.411 -0.485 30 20 DBED N#Cc1ccc(C(=O)N2CC(NC(=O)[C@H]3CCC(=O)NC3)C2)[nH]1 995137657 INUHBZQUJZJOIJ-VIFPVBQESA-N 315.333 -0.647 30 20 DBED C#Cc1cncc(C(=O)NC2CN(C(=O)Cc3ccnn3C)C2)c1 999305036 UQIPDGPAKPRTPE-UHFFFAOYSA-N 323.356 -0.020 30 20 DBED C=CCN1CC[C@H](n2cc(CNC(=O)[C@H]3CNC(=O)N3)nn2)C1 1000013256 HBPOVQUWYFLBSF-NWDGAFQWSA-N 319.369 -0.992 30 20 DBED C#CCN1CCC(C(=O)NCC2CCN(CC(N)=O)CC2)CC1 1002143996 CUQIGGRRUFPBET-UHFFFAOYSA-N 320.437 -0.355 30 20 DBED COCC(=O)N1C[C@H]2C(CNC(=O)c3cc(C#N)c[nH]3)[C@@H]2C1 1008903173 HZZYTEJUEUWSOY-RYUDHWBXSA-N 302.334 -0.033 30 20 DBED C#CCN1CCC[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)C1 1009203458 NFRIBLDGSYFQCU-JTQLQIEISA-N 300.322 -0.755 30 20 DBED CC(=O)N1CC(C(=O)NCC2=CCN(C(=O)[C@@H](C)C#N)CC2)C1 1017410858 OZOQHXNCLOTFJN-NSHDSACASA-N 318.377 -0.101 30 20 DBED C#CCN1CCC(C(=O)N[C@H]2C[C@H](N[C@H](C)C(N)=O)C2)CC1 1021090496 XHPDLYRZRPYSDT-MRVWCRGKSA-N 306.410 -0.558 30 20 DBED C=C(C)CN1[C@H]2CC[C@H]1CN(C(=O)Cn1cnc(C(N)=O)n1)C2 1029314289 MOKQLDBCPFCQHE-RYUDHWBXSA-N 318.381 -0.372 30 20 DBED C#CCCN1CC(NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 1030766331 YZJAINHRVGSBPX-UHFFFAOYSA-N 300.326 -0.869 30 20 DBED CC#CCN1CC(CNC(=O)[C@H]2CN3CC4CC3(CO2)C4)C1 1031856540 BREFFISVLQMRQB-GNHJJJEISA-N 303.406 -0.079 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CN([C@@H]2CCNC2=O)C1 1032047586 IFSAXMCAQKGRDR-MJBXVCDLSA-N 307.394 -0.096 30 20 DBED C[C@@H]1CN(C(=O)c2cnn3c(=O)cc[nH]c23)CC[C@@H]1NCC#N 1036218236 KEAXBXXHABCQCR-PWSUYJOCSA-N 314.349 -0.014 30 20 DBED C=CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)c1cn(CC(=O)N(C)C)nn1 1037739919 KOLUMSBBDAWENL-OSMZGAPFSA-N 318.381 -0.645 30 20 DBED C#CCOc1ccc(C(=O)NC[C@@H]2CCN2CC(N)=O)cc1 1038777225 CUGKZCMZSMGUDQ-ZDUSSCGKSA-N 301.346 -0.012 30 20 DBED CC(=O)N1CCOC[C@H]1C(=O)N1[C@H]2CC[C@H]1CN(CC#N)CC2 1039471502 AUVPMJCOPSEGLN-KKUMJFAQSA-N 320.393 -0.177 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@]1(O)CCN(C(=O)c2cocn2)C1 1039579024 CLHXWLZJAYLKBA-LSDHHAIUSA-N 323.349 -0.305 30 20 DBED C[C@@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)c2cccnn2)C1 1040760077 LYHCOYWLOVTXLJ-IINYFYTJSA-N 303.322 -0.671 30 20 DBED C=CCCC(=O)N1CC[C@](O)(CNC(=O)Cc2nonc2C)C1 1040779461 YJSINCDJRLPFGD-HNNXBMFYSA-N 322.365 -0.034 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)[C@@]3(F)CCOC3)C2)cn1 1041304010 FKNKXCJZNJHLSH-UMVBOHGHSA-N 320.324 -0.252 30 20 DBED CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2cc(C#N)c[nH]2)C1 1041626396 DVZOYUWZJNKNFZ-JTQLQIEISA-N 320.349 -0.386 30 20 DBED CS[C@H](C)C(=O)N1CC(O)(CNC(=O)c2ccc(C#N)[nH]2)C1 1042609053 PUPRUKLQZMDMHF-SECBINFHSA-N 322.390 -0.059 30 20 DBED Cc1ccn(C)c1C(=O)NCC1(O)CN(C(=O)[C@@H](C)C#N)C1 1042772322 BLEYWHNUHCZNQP-NSHDSACASA-N 304.350 -0.204 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1042802483 KDWYZIAMVUCMQG-GHMZBOCLSA-N 309.322 -0.855 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(O)CN(C(=O)C2=CCOCC2)C1 1042806345 FJQZSEPZFDVNSE-OAHLLOKOSA-N 324.377 -0.650 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(O)CN(C(=O)c2c[nH]cc2C)C1 1042811488 JEBWJDCAHZPRJR-HNNXBMFYSA-N 321.377 -0.047 30 20 DBED Cc1ncc(C(=O)N2CC(O)(CNC(=O)C#CC3CC3)C2)[nH]1 1042958306 JCLIVRZIKBCGTB-UHFFFAOYSA-N 302.334 -0.565 30 20 DBED C#CCCN1CC(N(C)C(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 1043501543 GHFHANDCZRDGNO-UHFFFAOYSA-N 314.353 -0.527 30 20 DBED CN1CCC[C@@H]1C(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1043873347 BDXRQPGJZRWIIC-UPJWGTAASA-N 316.365 -0.892 30 20 DBED N#Cc1cnccc1N1C[C@H](O)[C@H](NC(=O)c2cnon2)C1 1044122672 KUUNZMRRSGUFSO-PWSUYJOCSA-N 300.278 -0.684 30 20 DBED C=C[C@](C)(CC)C(=O)NCC1(O)CN(C(=O)C2(C(N)=O)CC2)C1 1045781997 AKCSIXKGDUUXEN-CQSZACIVSA-N 323.393 -0.456 30 20 DBED C=CCN1CC[C@@H](N2CCN(C(=O)c3cnnn3C)CC2)C1 1046029051 YBXAMJHEFSNNIM-CYBMUJFWSA-N 304.398 -0.167 30 20 DBED C#CCO[C@H](C)C(=O)N(C)[C@H]1CN(C(=O)[C@@H](C)OC)C[C@@H]1O 1048852609 QHSFSSFTCABDSZ-NDBYEHHHSA-N 312.366 -0.910 30 20 DBED C=C(C)CCC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CCC(=O)N2)C[C@@H]1O 1048937334 GILVVVQRVZNBBC-AVGNSLFASA-N 323.393 -0.349 30 20 DBED C=CCN1CCC2(CC1)CN(C(=O)CN1CCOCC1=O)C2 1050548352 RQYQEAKEOKQOCF-UHFFFAOYSA-N 307.394 -0.044 30 20 DBED CC(=O)N1CCOC[C@H]1C(=O)N1CC2(CCN(CC#N)CC2)C1 1050761243 JIBWTTMWVYBZHS-AWEZNQCLSA-N 320.393 -0.318 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)[C@@H]1CCc2nc[nH]c2C1 1051200800 WGSUMAWHUMPJOG-CHWSQXEVSA-N 302.378 -0.035 30 20 DBED C=C(C)CCN1CC2(C[C@H](NC(=O)Cn3cnnn3)CO2)C1 1053733614 ZWDITXUTZHJDAA-LBPRGKRZSA-N 306.370 -0.401 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)c3ccc(=O)n(C)c3)CO2)C1 1053856988 SHKPNKMNMQNGCZ-CYBMUJFWSA-N 301.346 -0.408 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)c3c[nH]c(=O)cn3)CO2)C1 1053908827 AXBFHWDGRGZHCY-NSHDSACASA-N 302.334 -0.634 30 20 DBED C=CCCN1CC2(C[C@H](NC(=O)[C@@H]3CC(=O)NC(=O)N3)CO2)C1 1053940689 JOFYXVWQZJOYOX-QWRGUYRKSA-N 322.365 -0.880 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)[C@H]3CCc4n[nH]cc4C3)CO2)C1 1053981565 OMNXEFNYELPSRL-WCQYABFASA-N 315.377 -0.002 30 20 DBED C=C(C)CN[C@@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@@H]1C 1054670539 ICLQWOHOTFCOCG-WDEREUQCSA-N 306.370 -0.610 30 20 DBED N#Cc1ccc(N2C[C@H]3[C@H](NC(=O)c4c[nH]c(=O)cn4)[C@H]3C2)cn1 1056389266 KTMDAQKOSGTUMP-JYAVWHMHSA-N 322.328 -0.099 30 20 DBED N#Cc1nccnc1N1C[C@@H]2C(NC(=O)[C@H]3C[C@H]3C(N)=O)[C@H]2C1 1056407076 LBUMKXZPIWDFSL-KATARQTJSA-N 312.333 -0.980 30 20 DBED N#Cc1cncc(N[C@@H]2CCN(C(=O)[C@@H]3CCCNC3=O)C2)n1 1056721203 CQVABPGKFGLAJL-ZYHUDNBSSA-N 314.349 -0.113 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)c1cc[n+]([O-])cc1 1056878914 JUEJGIOQIYHNMY-UHFFFAOYSA-N 323.349 -0.927 30 20 DBED CN(c1nccnc1C#N)[C@@H]1CCN(C(=O)c2cn(C)nn2)C1 1056917250 UHGCFZODWJPQNL-SNVBAGLBSA-N 312.337 -0.172 30 20 DBED CN(c1ccnc(C#N)n1)[C@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 1056998087 OVUMBRCWPVBLHY-QWRGUYRKSA-N 314.349 -0.479 30 20 DBED Cn1ncc(C(=O)N2CCCN(c3nccnc3C#N)CC2)n1 1057154690 MVTPAGLPNGDLMD-UHFFFAOYSA-N 312.337 -0.171 30 20 DBED CN1CC[C@H](C(=O)NCCN(CCO)C(=O)C#CC2CC2)C1 1057535863 GPRRDWRIWDOTPJ-AWEZNQCLSA-N 307.394 -0.711 30 20 DBED C#CCOCCC(=O)NCCN(CCO)C(=O)c1c[nH]cc1C 1057632939 ASWPPEMICDLVJI-UHFFFAOYSA-N 321.377 -0.086 30 20 DBED C=C(C)C[C@@H](C)C(=O)N(CCO)CCNC(=O)c1cnn(C)n1 1058463500 AQDJGWVBJPPSLG-GFCCVEGCSA-N 323.397 -0.032 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)C1(CN(C)C)CC1 1058600227 OYFDVRKSQYGFDX-LBPRGKRZSA-N 310.398 -0.575 30 20 DBED COC[C@H](OC)C(=O)N(CCO)CCNC(=O)C#CC(C)C 1058758896 ZMQUQCHTEBRYBH-ZDUSSCGKSA-N 314.382 -0.756 30 20 DBED CN1C(=O)CC[C@@H]1C(=O)N1CC[C@H](Nc2nccnc2C#N)C1 1059038260 TXBHVGRNUKUTHO-CMPLNLGQSA-N 314.349 -0.018 30 20 DBED C#CCOCCC(=O)NCC[C@@H]1CCN(C(=O)c2cnn[nH]2)C1 1059904009 PEMFDWAWGDYYJP-GFCCVEGCSA-N 319.365 -0.187 30 20 DBED Cn1nnc(C(=O)N2CC[C@H](CCNC(=O)C#CC3CC3)C2)n1 1060147238 OZVBMWMMCPNTMA-LBPRGKRZSA-N 316.365 -0.408 30 20 DBED Cc1cncn1CC(=O)NC[C@H]1COCCN1C(=O)[C@H](C)C#N 1061711306 HBYVBTPCGBXXCE-YPMHNXCESA-N 319.365 -0.305 30 20 DBED CN(C(=O)[C@H]1CCNC1=O)[C@@H]1CCN(c2nccnc2C#N)C1 1063004956 STOBJXQSRXCCLT-MNOVXSKESA-N 314.349 -0.479 30 20 DBED CC[C@@H]1CN(C(=O)C(N)=O)CC[C@H]1N=c1cc[nH]cc1C#N 1064413436 VHAZIJDNWNYIFV-ZWNOBZJWSA-N 301.350 -0.101 30 20 DBED C=CCOCC(=O)N(C)CCCN(C)C(=O)CS(C)(=O)=O 1066959505 POGCUQAWFZDXGW-UHFFFAOYSA-N 320.411 -0.460 30 20 DBED Cn1nnc(C(=O)NC2CC(CNc3ccc(C#N)nn3)C2)n1 1067879065 RXTAEQTWBSDEJR-UHFFFAOYSA-N 313.325 -0.508 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1COC2(C1)CN(C(=O)c1ncn(C)n1)C2 1069003479 NCWLGWBJFDOHST-VHSXEESVSA-N 318.337 -0.926 30 20 DBED CCC1(NC(=O)C(N)=O)CCN(C(=O)c2c[nH]c(C#N)c2)CC1 1069317836 MYVGYEXVFDLSBN-UHFFFAOYSA-N 317.349 -0.127 30 20 DBED N#CCN1CCn2ncc(CNC(=O)[C@H]3CCCC(=O)N3)c2C1 1069864357 LQCBDMZNSMNBLO-GFCCVEGCSA-N 316.365 -0.493 30 20 DBED CC#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2cnnn2C)C1 1069919283 GXWJAUOOFKJHHF-YPMHNXCESA-N 314.353 -0.915 30 20 DBED CC(=O)NCC(=O)NC1(CNC(=O)C#CC2CC2)CCOCC1 1069954021 LERGSBATHYGNJJ-UHFFFAOYSA-N 321.377 -0.683 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)c2nc[nH]n2)CCOCC1 1070194024 CIIXDFPJVXRKKN-SECBINFHSA-N 306.326 -0.640 30 20 DBED C=CCN1C[C@H]2C[C@@H]3CN(C(=O)[C@@H]4CN(C)C(=O)N4)C[C@@]3(C1)O2 1070836544 ZJESVUOQUHUWSF-NFFDBFGFSA-N 320.393 -0.502 30 20 DBED C=CCCOCC(=O)N1CCC[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 1070902413 FTPHHGLSEOQGMM-UPJWGTAASA-N 323.393 -0.192 30 20 DBED CC#CCN1CCNC(=O)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1070963097 AVGWGWVJIBKPNR-CHWSQXEVSA-N 322.365 -0.675 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)c2c[nH]nc2C)CC1 1070982988 XDNKQJFTVBSYFY-UHFFFAOYSA-N 303.366 -0.385 30 20 DBED CC(C)(O)CC(=O)N1CCC[C@@H](N2CCN(CC#N)CC2=O)C1 1071264543 ZKIYYRWTAXLMTQ-CYBMUJFWSA-N 322.409 -0.194 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H](C)[C@H](NC(=O)COCCC)C1 1071936469 PVSZAHOWMLNOJU-QWHCGFSZSA-N 323.393 -0.484 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)c2ccnn2CCOC)C1 1073652272 VEBDRHGGKQUJJW-CQSZACIVSA-N 320.393 -0.017 30 20 DBED C#CCOCCC(=O)N1CC[C@H](NC(=O)CNC(N)=O)C[C@@H]1C 1074819369 SDTRKUMEGFVBAI-RYUDHWBXSA-N 324.381 -0.810 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(C(=O)CNC(N)=O)[C@@H](C)C1 1074891895 MARVKNOZSJEHDA-QWRGUYRKSA-N 312.370 -0.647 30 20 DBED C=CCOCC(=O)N[C@@H](C)CCNC(=O)Cn1cnnc1O 1076225962 JVNHTHFTAVSESE-JTQLQIEISA-N 311.342 -0.803 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3nncn3CC2)C1 1077412213 PTECJKCBIXYCRY-MGPQQGTHSA-N 319.409 -0.032 30 20 DBED CCN(C(=O)c1cn(C)nn1)C1CN(C(=O)CSCC#N)C1 1079714799 RIDZNMRVRNJEHP-UHFFFAOYSA-N 322.394 -0.255 30 20 DBED N#Cc1ccc(C(=O)N2C[C@H](O)[C@H](CNC(=O)C(F)F)C2)[nH]1 1081149858 NURCEAYPHYYYKD-XCBNKYQSSA-N 312.276 -0.299 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)CN2CCCC2=O)C[C@H]1O 1081333001 NKKAWQLZOBGMGZ-CHWSQXEVSA-N 323.393 -0.490 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2[nH]nnc2C)C1 1081637704 PPSYKRFKQJIJAJ-GHMZBOCLSA-N 307.354 -0.372 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)Cc2ncc[nH]2)C1 1081692628 JJZYLAXZKLZJQA-VXGBXAGGSA-N 306.366 -0.146 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@H](CNC(=O)C2(CF)CC2)C1 1081755564 QRJRKNWUJCLPFF-VXGBXAGGSA-N 314.357 -0.126 30 20 DBED CC#CCN1C[C@@H](NC(=O)c2cc(=O)c(OC)c[nH]2)[C@H](OC)C1 1081947279 UYMOZGVEOKLZBG-IUODEOHRSA-N 319.361 -0.164 30 20 DBED CC[C@@H]1CCCN1C(=O)C(=O)N[C@@H]1CN(CC#N)C[C@H]1OC 1082310188 GBHPTJMPBCVHLL-JHJVBQTASA-N 308.382 -0.274 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H](C)n1cncn1 1083056124 AIPFUUWHHABLGV-MELADBBJSA-N 303.366 -0.226 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1COCCN1C 1083056185 DEKSQSNYOHXKST-RRFJBIMHSA-N 307.394 -0.748 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(Cc2ncnn2C)C[C@@H]1O 1083789919 FFEKZROXZIFHKA-NDBYEHHHSA-N 321.381 -0.933 30 20 DBED N#Cc1nccnc1NCC1(CCNC(=O)CNC(N)=O)CC1 1089903142 LBHLMLBPYYWNPA-UHFFFAOYSA-N 317.353 -0.285 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2c(C)nnn2CC)[C@@H](O)C1 1090322814 NPCHMFNXGSHYBC-OLZOCXBDSA-N 305.382 -0.205 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2cc(O)nc(C3CC3)n2)[C@@H](O)C1 1090340861 DSLODKFZAGXMIN-PWSUYJOCSA-N 317.349 -0.252 30 20 DBED CC(=O)N[C@@H](C)C(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@H]1O 1090368759 KNUMEDUENQBXBS-ZWKOPEQDSA-N 317.349 -0.856 30 20 DBED CC(=O)Nc1c[nH]c(C)c1C(=O)N[C@H]1CCN(CC#N)C[C@H]1O 1090377669 LPHZNUNPCPPYTM-WCQYABFASA-N 319.365 -0.030 30 20 DBED C=CCN1CC[C@H](NC(=O)c2ccn3nnnc3c2)[C@@H](O)C1 1090485022 FFYYBTGAJPBNNV-RYUDHWBXSA-N 302.338 -0.525 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2cn(CC3CC3)nn2)[C@@H](O)C1 1090684178 VVGBWYBQZIBXDI-OCCSQVGLSA-N 303.366 -0.514 30 20 DBED CC(C)(O)CC(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1091099918 XRJJUBRSTBYWDK-MNOVXSKESA-N 305.338 -0.825 30 20 DBED C=CCN1CC[C@@H](N2C[C@@H]3CN(C(=O)C(N)=O)C[C@]3(C)C2)C1=O 1091971326 ZFQMWBILCSLTEZ-HSMVNMDESA-N 320.393 -0.961 30 20 DBED CC#CCN1CC(N2C[C@H](NC(=O)[C@@H]3CCOC3)CC2=O)C1 1094713991 NMJSKAOLIHHJDL-CHWSQXEVSA-N 305.378 -0.553 30 20 DBED C#CCCN1CC(N2C[C@H](NC(=O)c3nc(C)c[nH]3)CC2=O)C1 1094795260 LMMFNHYKJALMEF-GFCCVEGCSA-N 315.377 -0.244 30 20 DBED C=C(C)CCN1CC(N2C[C@H](NC(=O)c3nc[nH]n3)CC2=O)C1 1094796794 DPJXAOJBMSONQS-LLVKDONJSA-N 318.381 -0.214 30 20 DBED C[C@H](NC(N)=O)C(=O)N1CCC[C@@H](Nc2cnc(C#N)cn2)C1 1095290885 PEPFOOVRGKJKPR-VHSXEESVSA-N 317.353 -0.192 30 20 DBED C[C@H](NC(N)=O)C(=O)NC1CCN(c2cncc(C#N)n2)CC1 1095408771 KLRPIJKYTUHHHT-VIFPVBQESA-N 317.353 -0.510 30 20 DBED C[C@@H](CC(N)=O)C(=O)NC1CCN(c2ccc(C#N)nn2)CC1 1095438170 CFNSUPZJLQDCSU-JTQLQIEISA-N 316.365 -0.055 30 20 DBED N#Cc1nccnc1N[C@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)C1CC1 1096809792 XWQRNIJDGNKZBO-JFGNBEQYSA-N 314.349 -0.224 30 20 DBED CNC(=O)CC(=O)N[C@H]1C[C@H](N=c2cc(C)[nH]cc2C#N)C1 1097009544 PXRDFYUSCLKADD-HAQNSBGRSA-N 301.350 -0.121 30 20 DBED C=CCCN(CCO)C1CCN(C(=O)[C@H]2CNC(=O)N2)CC1 1098463614 SJDXPIFIYCVAQY-CYBMUJFWSA-N 310.398 -0.471 30 20 DBED N#Cc1nccnc1NC[C@H]1CCN(C(=O)CCNC(N)=O)C1 1098529924 UDGOYYGDUUTCPX-SNVBAGLBSA-N 317.353 -0.333 30 20 DBED C#CCNCc1cn([C@@H]2CCN(C(=O)c3nonc3C)C2)nn1 1098789363 BQCNNAYPBBJHSX-GFCCVEGCSA-N 315.337 -0.220 30 20 DBED CCN(CCC#N)C(=O)CN1CC[C@@H](NC(=O)C2CC2)[C@@H](O)C1 1099607067 HRJSBIAYBISJES-KGLIPLIRSA-N 322.409 -0.290 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)c2cnn(C)c2)[C@H](O)C1 1099651728 WMAUOVCNUGDMQO-ZIAGYGMSSA-N 308.382 -0.212 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)c2ncn(C)n2)[C@@H](O)C1 1099802394 VAIRSZOQRWFQBZ-RYUDHWBXSA-N 309.370 -0.817 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CCN(CCNC(=O)C2CC2)C[C@@H]1O 1099821398 UMLLJTHIKIILJS-CABCVRRESA-N 321.421 -0.277 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CCN(CCn2cccn2)C[C@H]1O 1099827675 YHPPBTHMLHKMCS-HUUCEWRRSA-N 302.378 -0.152 30 20 DBED Cc1cc(COCC(=O)N[C@H]2CCN(CC#N)C[C@@H]2O)no1 1099891055 ZKGFFEYLLGPXIT-STQMWFEESA-N 308.338 -0.425 30 20 DBED C#CCNC(=O)[C@H](C)NC1CC(CNC(=O)c2ncn(C)n2)C1 1100299268 UDVYAASQUGHKRX-UNXYVOJBSA-N 318.381 -0.949 30 20 DBED C=CCn1cc(C(=O)NCCN(C)c2cncc(C#N)n2)nn1 1100360314 IKZRGGWRJJHUQH-UHFFFAOYSA-N 312.337 -0.008 30 20 DBED CN1CC[C@@H](C(=O)NCCN(C)c2cnc(C#N)cn2)CC1=O 1100398592 OHKKTJDXLATDDB-LLVKDONJSA-N 316.365 -0.231 30 20 DBED CNC(=O)NCC(=O)NC[C@@H]1CCCN1c1ncccc1C#N 1100915109 KTBSPBVYNDZWHJ-LBPRGKRZSA-N 316.365 -0.033 30 20 DBED CNC(=O)NCC(=O)NC[C@H]1CCN(c2ccc(C#N)cn2)C1 1101066132 NHZOTCFEHMTERU-GFCCVEGCSA-N 316.365 -0.175 30 20 DBED C=C[C@@](C)(O)CC(=O)N1C[C@H]2CN(CC(=O)NC)C[C@@]2(C)C1 1101219532 ZVDPXVKOWSJJEQ-UHOFOFEASA-N 309.410 -0.160 30 20 DBED CC[C@@H](CNC(=O)[C@H]1CNC(=O)N1)Nc1ccc(C#N)nn1 1103277891 QBBRNKHGRDCMBL-WCBMZHEXSA-N 303.326 -0.664 30 20 DBED CC(=O)NCC(=O)NCC[C@H]1CCCN1c1ccnc(C#N)n1 1103716368 MDZFXDKTBCUIEK-GFCCVEGCSA-N 316.365 -0.041 30 20 DBED COC(=O)NCC(=O)NC[C@H](C)CNc1cncc(C#N)n1 1103856951 OSHGIQJHRBWOBY-SECBINFHSA-N 306.326 -0.132 30 20 DBED CCNC(=O)CCC(=O)N1CC(n2cc(CNCC#N)nn2)C1 1105188101 NVWQHGFVYHBDHY-UHFFFAOYSA-N 319.369 -0.809 30 20 DBED C=CCNCc1cn(C2CN(C(=O)[C@@H]3CCCNC3=O)C2)nn1 1105264326 GAPHPNMAADTWHL-CYBMUJFWSA-N 318.381 -0.537 30 20 DBED C=CCNCc1cn(C2CN(C(=O)[C@H]3CCCC(=O)N3)C2)nn1 1105266034 MXTNRMSBJTYUKS-CYBMUJFWSA-N 318.381 -0.394 30 20 DBED C#CCNCc1cn(C2CN(C(=O)[C@H]3CN(C)C[C@@H]3C)C2)nn1 1105327013 OMOGAPKRABVKDR-WFASDCNBSA-N 316.409 -0.418 30 20 DBED N#Cc1cnc(NC[C@@H](O)CNC(=O)C[C@H]2CCCO2)cn1 1105717882 DBSBLUIDMBGRTG-VXGBXAGGSA-N 305.338 -0.194 30 20 DBED N#Cc1nc(=NC[C@H](O)CNC(=O)C[C@@H]2CCCO2)cc[nH]1 1105719024 WKVAVMBAYMOERA-QWRGUYRKSA-N 305.338 -0.772 30 20 DBED Cn1cc(CC(=O)NC[C@H](O)CNc2nccnc2C#N)cn1 1105783363 XYMFQQGEUAMMCV-NSHDSACASA-N 315.337 -0.787 30 20 DBED Cc1cc[nH]c1C(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1 1105833956 SWBCABHRNOOCAW-SNVBAGLBSA-N 300.322 -0.391 30 20 DBED Cc1nonc1CC(=O)NC[C@H](O)CNc1cnc(C#N)cn1 1105947464 FONJATFGNLQQAK-SNVBAGLBSA-N 317.309 -0.829 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)[C@]2(F)CCOC2)nc1 1106073709 XYVLAZZIUBBRKF-RISCZKNCSA-N 308.313 -0.029 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)c2cnc(O)n(C)c2=O)C[C@H]1C 1106513757 NCWOXEZKNQJKBU-VXGBXAGGSA-N 318.377 -0.193 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)[C@@H]1CC[C@H]1C(N)=O 1106909588 MOMVTMXKQSLBKQ-GHMZBOCLSA-N 316.365 -0.458 30 20 DBED C#CCNC[C@@H]1CN(C(=O)CS(=O)(=O)N(C)C)C[C@H]1C 1106934390 WFFXJDRDYKDNLH-VXGBXAGGSA-N 301.412 -0.805 30 20 DBED CC(C)C#CC(=O)NCc1cn(C2CN(CCCO)C2)nn1 1107169719 PYOGZJYKHZMWMB-UHFFFAOYSA-N 305.382 -0.207 30 20 DBED N#Cc1nc(=NC/C=C/CNC(=O)[C@@H]2CC[C@H]2C(N)=O)cc[nH]1 1107451292 KKZUYTPEJLMVIW-COUIAZAYSA-N 314.349 -0.634 30 20 DBED N#Cc1cncc(NC/C=C/CNC(=O)[C@@H]2CNC(=O)N2)n1 1107493027 XHYZXRCZODKASI-YOLVWIGZSA-N 301.310 -0.886 30 20 DBED C[C@H](C#N)C(=O)NC[C@@]1(C)CN(Cc2cnnn2C)CCO1 1107819309 NMSGKJSQHREDJB-RISCZKNCSA-N 306.370 -0.318 30 20 DBED C#CCCN1CCO[C@@](C)(CNC(=O)[C@H]2COCCN2CC)C1 1108041078 ZYACHZHMOICDCP-WBVHZDCISA-N 323.437 -0.063 30 20 DBED C[C@@H](CNc1ccc2nnnn2n1)NC(=O)CSCC#N 1108254360 CRDGBIBNQQYRCT-QMMMGPOBSA-N 306.355 -0.307 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)c2cncc(OC)n2)C1 1108263110 JRLISQCTICZZER-OAHLLOKOSA-N 304.350 -0.061 30 20 DBED Cc1cc(=NC[C@H](C)NC(=O)[C@@H]2COC(=O)N2)c(C#N)c[nH]1 1108359682 FQECMQQBTFEEDW-CABZTGNLSA-N 303.322 -0.291 30 20 DBED CCS(=O)(=O)CC(=O)NC[C@@]1(C)CN(CC#N)CCO1 1108419170 DGBQURKNIVQPNN-LBPRGKRZSA-N 303.384 -0.848 30 20 DBED C=CCOCCN1CCN(C(=O)CC)[C@@H]2CS(=O)(=O)C[C@@H]21 1108443554 NHTSTVTVWXAMOA-QWHCGFSZSA-N 316.423 -0.091 30 20 DBED C#CCCN1CCN(C(=O)COCC)[C@@H]2CS(=O)(=O)C[C@@H]21 1108453488 VFLOMVXJCYNYND-QWHCGFSZSA-N 314.407 -0.644 30 20 DBED C[C@H]1CCN(C(=O)C(=O)N[C@@H](C)CN=c2cc[nH]c(C#N)n2)C1 1108509084 ASVMTHORWWXGPH-QWRGUYRKSA-N 316.365 -0.445 30 20 DBED C#CCCN1CC(N2C[C@@H](NC(=O)CCCOC)CC2=O)C1 1108513156 BSJJJWRTVXMOSU-ZDUSSCGKSA-N 307.394 -0.162 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@H]1CC(=O)N(C2CN(CC#CC)C2)C1 1108538747 NGLAQOUVXXBAHO-SUMWQHHRSA-N 319.405 -0.262 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CN(C)c1cc(C)ncn1 1108940530 CJHPCXFRVWDJNE-LBPRGKRZSA-N 303.366 -0.135 30 20 DBED CN(CCCN=c1cc[nH]c(C#N)n1)C(=O)c1ccc(O)nn1 1109362332 LONYSIKMGYCISW-UHFFFAOYSA-N 313.321 -0.160 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1[C@H]2C[C@H]1N(c1ccc(C#N)nc1)C2 1109703888 GELYVETVEOIPML-KHIZAZIESA-N 323.356 -0.214 30 20 DBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1ccnnc1 1109755969 FTNXBOSCACPGEH-AGIUHOORSA-N 314.349 -0.549 30 20 DBED N#Cc1nc(=NC[C@@H](NC(=O)c2nccnc2N)C2CC2)cc[nH]1 1109801008 BGPGXFSTMUPPPP-SNVBAGLBSA-N 324.348 -0.237 30 20 DBED CN1CCO[C@@H](C(=O)NCC2(Nc3cnc(C#N)cn3)CC2)C1 1110090871 NRMYAIDIWYEZAI-GFCCVEGCSA-N 316.365 -0.260 30 20 DBED C=C[C@](C)(O)CC(=O)N(C)[C@H]1CN(c2ncccn2)C[C@@H]1O 1111179837 AHCLTTALMYDYIK-HUBLWGQQSA-N 306.366 -0.188 30 20 DBED Cc1cnoc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1111222888 PTNUPTZMIPOWPJ-UTUOFQBUSA-N 317.349 -0.042 30 20 DBED COC(=O)c1nc(=NCCN(CCO)C(=O)[C@@H](C)C#N)cc[nH]1 1111436054 PINHDXKTZZKXPT-JTQLQIEISA-N 321.337 -0.922 30 20 DBED CC(=O)NCC(=O)NCC1(Nc2cnc(C#N)cn2)CCC1 1111748103 HVBORVRNVIDMGN-UHFFFAOYSA-N 302.338 -0.065 30 20 DBED C=CCOCC(=O)N1C[C@@H](C)[C@@H](Nc2ccc3nnnn3n2)C1 1112310937 VKCFSHHPKBCWGE-MNOVXSKESA-N 317.353 -0.019 30 20 DBED C[C@@H]1CN(c2cnc(C#N)cn2)CC[C@H]1NC(=O)CC(N)=O 1112396442 VRNTXAPMZRCGKF-MWLCHTKSSA-N 302.338 -0.445 30 20 DBED CC[C@@H]1CC[C@H](C(=O)N2CCN(CC(=O)NCC#N)CC2)O1 1112902145 HQOOIIMKAAPYNA-CHWSQXEVSA-N 308.382 -0.272 30 20 DBED C[C@@H](CNC(=O)CCNC(N)=O)N(C)c1ccc(C#N)nc1 1113609608 OUADELAMWSAZSE-JTQLQIEISA-N 304.354 -0.047 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCCNC1=O)N(C)c1cncc(C#N)n1 1113744497 OYRGWKSKUUHPMH-JQWIXIFHSA-N 316.365 -0.185 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)CCCOCC)[C@@H]2C1 1113926417 ATFYSUPCMVGBNI-BFHYXJOUSA-N 321.421 -0.013 30 20 DBED C=CCCC(=O)NC1[C@H]2CN(CCNS(=O)(=O)CC)C[C@H]12 1114024524 BCZMYYZANQLQOB-RYUDHWBXSA-N 315.439 -0.062 30 20 DBED C#CCOCCC(=O)NC1[C@@H]2CN(CCN3CCNC3=O)C[C@@H]12 1114268308 JJKZWKOXAKXZJA-CHWSQXEVSA-N 320.393 -0.902 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)c3cnc(O)n3C)[C@@H]2C1 1114665714 MZCOEPKININOPE-GHMZBOCLSA-N 304.350 -0.565 30 20 DBED C=CC(C)(C)C(=O)NC1[C@H]2CN(Cc3nc(=O)n(C)[nH]3)C[C@H]12 1114671801 JXBBSJWGTDCIKV-UWVGGRQHSA-N 305.382 -0.133 30 20 DBED C=CC(C)(C)C(=O)NC1[C@@H]2CN([C@H](C)C(=O)NC(N)=O)C[C@@H]12 1114692225 CTWMRJBTXAPTEM-OPRDCNLKSA-N 308.382 -0.172 30 20 DBED CN(C)CC1(C(=O)NC2[C@H]3CN(CC(=O)NCC#N)C[C@H]23)CC1 1114743619 MVDSPBDRQVBASK-RYUDHWBXSA-N 319.409 -0.986 30 20 DBED C=CCCCN1C[C@@H]2C(NC(=O)C[C@H](NC(C)=O)C(N)=O)[C@H]2C1 1114933391 VBNVENWGLAVBLM-AVGNSLFASA-N 322.409 -0.621 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)c3nccs3)[C@@H]2C1 1115011286 UAUVEUZKKDUBEG-HBNTYKKESA-N 318.402 -0.059 30 20 DBED COCC#CCN1C[C@@H]2C(NC(=O)Cn3ccccc3=O)[C@H]2C1 1115219142 RINIRWVQGWXRMJ-KBPBESRZSA-N 315.373 -0.456 30 20 DBED C=CCOCCN1C[C@H]2C(NC(=O)[C@@H]3CCCN3C(N)=O)[C@@H]2C1 1115346048 QFJQKQZSFAJUAY-UPJWGTAASA-N 322.409 -0.222 30 20 DBED C[C@]1(O)CCCN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)CC1 1118186316 HKWRHRAUXKYUTP-LSDHHAIUSA-N 309.366 -0.373 30 20 DBED Cc1cc(C#N)nc(N[C@@H](CO)CNC(=O)c2cnccn2)n1 1121036483 HWPLGOUINKZPGK-LLVKDONJSA-N 313.321 -0.351 30 20 DBED Cc1cc(=N[C@H](CO)CNC(=O)[C@H]2CCOC2)c(C#N)c[nH]1 1121171351 GSNCLANTCVFTAN-AAEUAGOBSA-N 304.350 -0.391 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)c2nccnc2N)cn1 1121228125 CSOFHMPXNYJYMU-NSHDSACASA-N 313.321 -0.472 30 20 DBED CC(C)(C)C(=O)C(=O)NC[C@@H](CO)Nc1cnc(C#N)cn1 1121228520 JOIYGXDPMYJZLC-JTQLQIEISA-N 305.338 -0.148 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)Cc2cc[nH]n2)cn1 1121400318 ZEIJSMUSYVAFQZ-ZDUSSCGKSA-N 300.322 -0.192 30 20 DBED Cn1ncc2c(N[C@H](CO)CNC(=O)C#CC3CC3)ncnc21 1121439732 RQNLSTXUAAAOJT-NSHDSACASA-N 314.349 -0.334 30 20 DBED C#CCOCCC(=O)NC[C@H](CO)Nc1ncccc1C#N 1122029385 SVIZPROVKIMXON-CYBMUJFWSA-N 302.334 -0.118 30 20 DBED C[C@H]1[C@H](NC(=O)CNC(N)=O)CCCN1c1nccnc1C#N 1123512275 CSXOVMFUZSOLIL-VHSXEESVSA-N 317.353 -0.510 30 20 DBED C[C@@H](C#N)C(=O)N(C)C[C@@H](O)CNc1ncnc2c1ncn2C 1124192631 YAUMVVNYGFVQHD-UWVGGRQHSA-N 317.353 -0.246 30 20 DBED CNC(=O)CC(=O)N(C)C[C@H](O)CN(C)c1ccc(C#N)cn1 1125069045 DGTHZQAXPJOLFL-GFCCVEGCSA-N 319.365 -0.655 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCNCC(=O)NCc1ccco1 1126364902 CPUQOQDCNFWJHV-OAHLLOKOSA-N 309.366 -0.071 30 20 DBED C#CCOCCC(=O)NCCNCC(=O)Nc1nccs1 1127027755 YBIJWIKKVZDIHN-UHFFFAOYSA-N 310.379 -0.173 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCOCCNc1ccc2nnnn2n1 1127259193 PNBQDXDMIVEZCG-JTQLQIEISA-N 318.341 -0.434 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CN2CCC1CC2 1127466664 ZCEFPGMJRWOWEQ-GXTWGEPZSA-N 308.426 -0.275 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)CN(C)C(=O)C(C)C 1128595071 QQHVEWIGODOKAJ-LBPRGKRZSA-N 312.414 -0.503 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)Cc1cnn(C)c1C 1129064775 FIXYDFZLULGOBD-LLVKDONJSA-N 307.398 -0.332 30 20 DBED C=C(C)CN[C@@H]1CN(C(=O)[C@@H](COC)OC)C[C@@H]1n1ccnn1 1130002863 UHIXZEIBGLMRDF-HZSPNIEDSA-N 323.397 -0.143 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1cc(O)nc(C2CC2)n1 1130027147 UOEATWIGMNMRBF-UHFFFAOYSA-N 318.337 -0.981 30 20 DBED COCCOCC(=O)N1C[C@@H](NCC#N)[C@H](c2cn(C)cn2)C1 1130546686 NQJWAZCRDRYNOK-GXTWGEPZSA-N 321.381 -0.509 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1cc(O)nc(CC)c1 1131419399 DDBKINCRMCGORT-LLVKDONJSA-N 318.377 -0.193 30 20 DBED C[C@H]1CC[C@H](NC(=O)c2cncnc2)CN1CC(=O)NCC#N 1131973109 YFLBMYQXDZARPD-AAEUAGOBSA-N 316.365 -0.301 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1c(C)nn(C)c1C 1132060945 BQELCPQFDFVEPZ-LLVKDONJSA-N 305.382 -0.506 30 20 DBED NS(=O)(=O)CCCC(=O)NCCNCC#Cc1ccccc1 1133148105 FTLMKKCAFQLJRS-UHFFFAOYSA-N 323.418 -0.187 30 20 DBED C[C@@H]1CCN(C(=O)CN2CC(=O)N(C)C2=O)C[C@@H]1CNCC#N 1133249176 ANDPRRFWLDQEQT-NEPJUHHUSA-N 321.381 -0.522 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)CCc1cc(C)on1 1133673220 BPIDMHACIPTDMC-LBPRGKRZSA-N 306.366 -0.241 30 20 DBED C=CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)CNC(=O)CC 1133969607 NEULFELZFGLAPW-RYUDHWBXSA-N 312.414 -0.312 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)C[C@H](C)NCc1cnn(C)n1 1134130012 AZTPUVGXYFUVQO-RYUDHWBXSA-N 320.397 -0.673 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1cc(C(C)C)[nH]n1 1134161780 XOAMCHYBDPPNFH-NSHDSACASA-N 305.382 -0.010 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)C1(CN(C)C)CC1)NCC(=O)NCC#N 1135298945 RUQCMSQOFGGJNK-QWHCGFSZSA-N 323.441 -0.159 30 20 DBED C=CCN[C@@H](C)C[C@H](C)NC(=O)CNS(=O)(=O)N(C)C 1135568370 MQJZAFXCJBNRGL-QWRGUYRKSA-N 306.432 -0.559 30 20 DBED CNC(=O)CN1CCCO[C@@H](CNC(=O)C#CC(C)(C)C)C1 1149686981 KDEYQTIMUZKARD-ZDUSSCGKSA-N 309.410 -0.011 30 20 DBED C#CCNC(=O)CN1CCCO[C@H](CNC(=O)C#CC2CC2)C1 1149694019 GMKJYLBVCVFOKS-OAHLLOKOSA-N 317.389 -0.644 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)[C@@H](C)n1cncn1 1152834704 DIOKSDHOCHWLEU-CHWSQXEVSA-N 320.397 -0.585 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H](C)N(CC)Cc1cnnn1C 1152854950 PHQFMQCIMQMSSR-GFCCVEGCSA-N 320.397 -0.719 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1cnc(OCC)cn1 1153753183 TYNQBGLCWHTPFE-NSHDSACASA-N 319.365 -0.667 30 20 DBED N#CCNC(=O)CNCCCNC(=O)CCc1cncnc1 1162560286 JCGGRIALUIBXEG-UHFFFAOYSA-N 304.354 -0.855 30 20 DBED CCO[C@H]1C[C@@H]1C(=O)NCCC1(CNCC(=O)NCC#N)CC1 1163594876 VJSKTCKMBJODHR-STQMWFEESA-N 322.409 -0.073 30 20 DBED CC#CCNCC1(CCNC(=O)c2nnc(O)nc2O)CC1 1165992765 GRJUKMYRQLYBJM-UHFFFAOYSA-N 305.338 -0.204 30 20 DBED C#CCCNCC1(CCNC(=O)CN2CCNC(=O)C2)CC1 1166560948 QGQFKFLYILKLPI-UHFFFAOYSA-N 306.410 -0.682 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NCCCNCc1cn(C)nn1 1167684628 LNWNPZWGBVDZKU-AWEZNQCLSA-N 322.413 -0.118 30 20 DBED C[C@H](CCCCNCC#N)NC(=O)c1nccnc1C(N)=O 1176496354 RPXWBGDJVNNMGU-SNVBAGLBSA-N 304.354 -0.023 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)CN(C)C(=O)C3CC3)C[C@@H]21 1177029853 KJWQGBKYBRMCOH-GJZGRUSLSA-N 319.405 -0.210 30 20 DBED C=CCNC(=O)CNCCCNC(=O)COC[C@@H]1CCCO1 1177478384 UBBKMJFUHYAONA-ZDUSSCGKSA-N 313.398 -0.420 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)CCc2nc[nH]n2)C1 1181917466 TXAVDOBSJDLCQZ-LLVKDONJSA-N 306.370 -0.770 30 20 DBED C=CCOCCN[C@@H]1CCN(C(=O)c2cn(CCOC)nn2)C1 1182465879 DYLWTQCMDKRCFY-CYBMUJFWSA-N 323.397 -0.069 30 20 DBED N#CCNC(=O)CN1C[C@@H]2CCN(C(=O)C3=CCOCC3)[C@@H]2C1 1187639416 OQMUEYMPPWEAGZ-UONOGXRCSA-N 318.377 -0.494 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@H]2CN(Cc3ncnn3C)C[C@H]21 1187882778 VUEZQBCKMKJPFA-HZSPNIEDSA-N 317.393 -0.114 30 20 DBED C=CCOCCN1C[C@@H]2CCN(C(=O)CNC(=O)NC)[C@@H]2C1 1188151813 KRBYQLGCVWIEFS-QWHCGFSZSA-N 310.398 -0.349 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2ccc(C)nn2)C1 1190055496 ZMJRCHZGWDDTRL-CYBMUJFWSA-N 315.377 -0.319 30 20 DBED C#CCOCCC(=O)N1CC[C@H](N(C)Cc2cnnn2C)C1 1190120802 MBEUDWREOWLERF-ZDUSSCGKSA-N 305.382 -0.112 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)CC2CCCC2)C1 1190751336 XPUACRQXQYREKS-ZIAGYGMSSA-N 307.394 -0.523 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)[C@@H]2CCC(=O)NC2)C1 1191080568 JBVCFGKYGRIMAH-OLZOCXBDSA-N 322.409 -0.653 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CN(CC(=O)N2CCCCCC2)C[C@H]1O 1191854316 KXNAWSUYFJIKGP-MGPQQGTHSA-N 322.409 -0.290 30 20 DBED CCC(CC)NC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)C#N)C1 1191881877 JZUALAFNUIMESE-CYZMBNFOSA-N 310.398 -0.388 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)c2cccc(OC)n2)C1 1197404382 QHCPBANBGALFNI-ZIAGYGMSSA-N 319.361 -0.485 30 20 DBED C#CCNC(=O)[C@H](C)NC1CCN(C(=O)c2cnns2)CC1 1199504130 PCMYOGZMKKERKL-JTQLQIEISA-N 321.406 -0.130 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)Cc2n[nH]c(C)n2)CC1 1200435521 ZRDTYNKEHPOJLY-UHFFFAOYSA-N 320.397 -0.462 30 20 DBED C=C(C)CNC[C@H]1CN(C(=O)C[C@@H]2NC(=O)NC2=O)CCCO1 1200712127 DTUDTGVJLJNQEF-RYUDHWBXSA-N 324.381 -0.632 30 20 DBED C=CCCCNC[C@H]1CN(C(=O)[C@H]2CNC(=O)N2)CCCO1 1201268122 CIFZMDNRNXKCTA-QWHCGFSZSA-N 310.398 -0.159 30 20 DBED Cn1cnnc1COCC(=O)N[C@@H]1C[C@@H](NCC#N)C12CCC2 1203555110 IMJZHAOWAVEZRO-VXGBXAGGSA-N 318.381 -0.128 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)[C@H](O)C(C)C)CC1 1205158066 CVXBUJSVJYWEGU-OAHLLOKOSA-N 309.410 -0.419 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)c2cnn(C)c2)C1 1207251482 JQIDDDGEUTVCSW-TZMCWYRMSA-N 317.393 -0.248 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCN(C(=O)CSCC#N)C1 1207411035 ZPBDPWKUNBFZBV-LLVKDONJSA-N 309.395 -0.536 30 20 DBED CO[C@@H]1CN(Cc2nccn2C)C[C@H]1NC(=O)CSCC#N 1211888658 HYEXXWDJVMUZJW-VXGBXAGGSA-N 323.422 -0.008 30 20 DBED C=CCCN1C[C@@H](NC(=O)[C@H](C)S(C)(=O)=O)[C@H](OC)C1 1212474861 WDDQJCDDXPSRMJ-QJPTWQEYSA-N 304.412 -0.189 30 20 DBED C[C@@H]1CN(C(=O)c2cccnn2)C[C@H]1NCC(=O)NCC#N 1216025777 KRFVUBIZDQQYBM-ZYHUDNBSSA-N 302.338 -0.834 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)c2cc(C)[nH]n2)C1 1219269782 QFXFAGAKHOJJNR-UHTWSYAYSA-N 321.381 -0.816 30 20 DBED COCCOCCN1C[C@H](O)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 1219469687 UYMIXFDQLWFZTM-KGLIPLIRSA-N 322.365 -0.676 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(Cc2nnc(CC)n2C)C[C@@H]1O 1219531993 DTBSSYAXJSWNDR-OLZOCXBDSA-N 319.409 -0.158 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(Cc2cnn(CC)n2)C[C@@H]1O 1219532360 WDMQMWGGSZNDJA-KGLIPLIRSA-N 305.382 -0.237 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(CCc2cnn(C)c2)C[C@@H]1O 1219609474 UAADGMFIAQFWQF-CABCVRRESA-N 320.393 -0.836 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCCC[C@H]1NC(=O)CNC(C)=O 1224546843 LNUPNLUGKMSHSM-IACUBPJLSA-N 322.409 -0.723 30 20 DBED N#CCNC(=O)CN1CCC(NC(=O)c2ccc(O)nc2)CC1 1230170854 LOHWCFZUCPCTNV-UHFFFAOYSA-N 317.349 -0.379 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)c1cnn(C)c1 1230714964 NCRCRUQDMOGYMD-ZDUSSCGKSA-N 303.366 -0.684 30 20 DBED C=CCNC(=O)[C@H](C)N1CCC[C@H](NC(=O)Cn2cncn2)C1 1266248131 FTHUDHZGYPIMTC-STQMWFEESA-N 320.397 -0.451 30 20 DBED C[C@H](C#N)OCCN[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 1321298811 LZYTVIZFUHIKRU-FRRDWIJNSA-N 317.411 -0.998 30 20 DBED C=C[C@H]1CCCCN1C(=O)C(=O)N1CCO[C@H](C(=O)NC)C1 1325908654 YLSIMAMNHLMODR-RYUDHWBXSA-N 309.366 -0.473 30 20 DBED COCCN(CCN(C)C)C(=O)C(=O)N[C@@H]1CC[C@H](C#N)C1 1325987233 ZENDGAMKSGSSDO-QWHCGFSZSA-N 310.398 -0.169 30 20 DBED C[C@H]1CN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)C[C@@H](C)N1 1335585235 PRYBDSWOSUPTKM-MBNYWOFBSA-N 319.409 -0.606 30 20 DBED C=CCS(=O)(=O)CCn1nnnc1N1CCCOCC1 1335895173 GANSSZGRBLKBEA-UHFFFAOYSA-N 301.372 -0.499 30 20 DBED C=CC1CCN(C(=O)C(=O)N2CCO[C@@H](C(=O)OC)C2)CC1 1344756984 NEQLEXFYRUJTFV-GFCCVEGCSA-N 310.350 -0.189 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)N[C@H]2CCN3CCCC[C@H]23)C1 1349190602 WVQSYMBFTWLAMY-ZENOOKHLSA-N 320.393 -0.394 30 20 DBED C#CCN(C(=O)C(=O)N1CCN(C(=O)N(C)C)CC1)C(C)C 1353073572 IHWDCQIYFDCQLZ-UHFFFAOYSA-N 308.382 -0.318 30 20 DBED N#Cc1ccc(NCC(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)nc1 1362137191 WPFGTVNNFATUMT-WDEREUQCSA-N 303.322 -0.486 30 20 DBED N#Cc1cn(CCC(=O)N[C@@H](CCO)C2CC2)c(=O)nc1O 1362187994 CAUHIAXJMNNSCR-NSHDSACASA-N 306.322 -0.512 30 20 DBED C[C@@H](CCCO)CNC(=O)CCn1cc(C#N)c(O)nc1=O 1363095243 OODUVAONFMZUEI-JTQLQIEISA-N 308.338 -0.265 30 20 DBED CN(C[C@@H](O)c1cccnc1)c1[nH]c(=O)n(C)c(=O)c1C#N 1364222528 FCEMQUDBBUSTBG-LLVKDONJSA-N 301.306 -0.490 30 20 DBED CO[C@H]1CC[C@@H](NC(=O)NCCn2cc(C#N)c(O)nc2=O)C1 1365372495 SZVRJQZBEHJFNT-MNOVXSKESA-N 321.337 -0.313 30 20 DBED COC(=O)CC1(CS(=O)(=O)N2CCOC[C@@H]2C#N)CC1 1365653952 JJZKUJIDWOFCOK-JTQLQIEISA-N 302.352 -0.116 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H](CNC(=O)c1cnn(C)c1N)C1CC1 1372384409 UQVJXSUXHODPMT-KWQFWETISA-N 304.354 -0.213 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](NC(=O)CN(C)C(=O)C2CC2)C1 1372520281 DHDIRXAEVKMGMS-PWSUYJOCSA-N 306.366 -0.268 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CN([C@H](C)C(=O)NC(N)=O)C[C@@H]2C1 1380700086 MEURTQWFBIPSMU-DBIOUOCHSA-N 307.354 -0.880 30 20 DBED CC(C)NC(=O)NC(=O)[C@H](C)N(C)CCNC(=O)[C@H](C)C#N 1390742660 PYLZYGJQEUVRMM-MNOVXSKESA-N 311.386 -0.183 30 20 DBED CCN(CCC#N)C(=O)CN(C)CCNC(=O)c1cn[nH]c1 1399436171 WLSYHAQYBMXSGZ-UHFFFAOYSA-N 306.370 -0.167 30 20 DBED C=C(Cl)CN[C@@H](C)CNC(=O)c1c[nH]nc1S(N)(=O)=O 1402994176 BTHPRCAKTJWYNT-ZETCQYMHSA-N 321.790 -0.483 30 20 DBED CCN(CCC#N)C(=O)CNC[C@@H](C)NC(=O)c1ccnnc1 1406407475 VDXQWLPWYHGMIC-GFCCVEGCSA-N 318.381 -0.053 30 20 DBED CC(C)OCCC(=O)NC[C@H](O)CNC(=O)c1ccc(C#N)[nH]1 1410050123 HSMRBKMFIGFCSJ-LBPRGKRZSA-N 322.365 -0.092 30 20 DBED CCc1ncncc1C(=O)N(C)C[C@@H](O)CNC(=O)[C@@H](C)C#N 1413264542 KOCAPNLADAKTQO-QWRGUYRKSA-N 319.365 -0.252 30 20 DBED C[C@H](C#N)C(=O)N1CCC(C)(CNC(=O)[C@@H]2COC(=O)N2)CC1 1417397166 KJAQPZKRVSBMQS-MNOVXSKESA-N 322.365 -0.001 30 20 DBED CNC(=O)NCC(=O)N1CC[C@@H](CN(C)C(=O)[C@@H](C)C#N)C1 1430075885 GLLBEBLCQFRTIM-QWRGUYRKSA-N 309.370 -0.618 30 20 DBED Cn1c(=O)[nH]c(N[C@@H]2CCO[C@@]3(CCOC3)C2)c(C#N)c1=O 1472744439 RDLVVFRILYBUTG-OTYXRUKQSA-N 306.322 -0.305 30 20 DBED C[C@H](NC(=O)c1ccoc1)C(=O)NC1CN(C(=O)[C@H](C)C#N)C1 1498230330 ZTLPHUVWDCCRJP-ZJUUUORDSA-N 318.333 -0.115 30 20 DBED CCCC[C@@H](NC(N)=O)C(=O)N1CC(NC(=O)[C@H](C)C#N)C1 1498384081 SBKNUAPSORHRKG-MWLCHTKSSA-N 309.370 -0.300 30 20 DBED C[C@@H](CNC(=O)CCn1cnccc1=O)CNC(=O)[C@@H](C)C#N 1500332401 AGELTBHXFSGCRC-RYUDHWBXSA-N 319.365 -0.338 30 20 DBED C=C(Cl)CNCC1(O)CCN(C(=O)CNC(=O)NC)CC1 1502873185 MLKOHQLAJCBWNS-UHFFFAOYSA-N 318.805 -0.389 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCCN([C@H](C)C(=O)NC(N)=O)C2)C1 1506854730 DINOKTNNMFYRHY-WDEREUQCSA-N 321.381 -0.346 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCCN(CC(=O)NC(N)=O)C2)C1 1506858055 PEVVEVDJIAWBHZ-SNVBAGLBSA-N 307.354 -0.735 30 20 DBED N#C[C@@]1(F)CCN(C(=O)NCCOCCOCC(=O)O)C1 1574481044 SZUMEZKYTSHCDX-LBPRGKRZSA-N 303.290 -0.249 30 20 DBED CCOC(=O)CON=C(C(=O)N1CCC[C@@H]1CN)c1cc[nH]n1 1577954262 FUDRRLXDCLRZEO-SNVBAGLBSA-N 323.353 -0.357 30 20 DBED C#C[C@H]1CCCN(C(=O)C(=O)NCC2(C(=O)O)CCOCC2)C1 1588386630 SXOBTSQWZTYVLV-LBPRGKRZSA-N 322.361 -0.144 30 20 DBED C=CCOC[C@H](NC(=O)[C@H](NS(C)(=O)=O)C(C)C)C(=O)O 1588855884 QRMMSCBHECCPSI-VHSXEESVSA-N 322.383 -0.668 30 20 DBED COC(=O)[C@@H]1[C@H]2CN(c3cnc(C#N)c(-c4nn[nH]n4)n3)C[C@H]21 1591282496 ZXPHVCTVIRORDN-MTBHXBHISA-N 312.293 -0.616 30 20 DBED N#CCN1CCC(Nc2cnc(C#N)c(-c3nn[nH]n3)n2)CC1 1592677816 JVIGVNIIJBOQLJ-UHFFFAOYSA-N 310.325 -0.072 30 20 DBED N#Cc1nc(NCC2(O)CCOCC2)cnc1-c1nn[nH]n1 1592708030 PTLAEYBDBVPCPU-UHFFFAOYSA-N 302.298 -0.518 30 20 DBED N#Cc1ncc(N2CC[C@@H](O)C(F)(F)C2)nc1-c1nn[nH]n1 1592708405 PMNVWYVJCSSMBX-SSDOTTSWSA-N 308.252 -0.265 30 20 DBED CSCC[C@H](NC(N)=O)C(=O)N(CC#N)CCC(=O)O 1607400374 YVNBZVHPKNGAFY-QMMMGPOBSA-N 302.356 -0.397 30 20 DBED N#CCNC(=O)CNC(=O)CCc1ccc(-c2nn[nH]n2)cc1 1609496157 QTMGXZVFZMVITB-UHFFFAOYSA-N 313.321 -0.445 30 20 DBED CN(CCNS(C)(=O)=O)C(=O)Nc1ccn(CCC#N)n1 1649708835 UWWSHEPXWSDBOP-UHFFFAOYSA-N 314.371 -0.190 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)NC[C@H]2CCCS2(=O)=O)C1 1649842495 JTGXOMUJPUNZFK-ZYHUDNBSSA-N 301.368 -0.376 30 20 DBED C=CCOCCN1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CNC(=O)N1 1752543362 XEIKVNYBGKICNT-FRRDWIJNSA-N 308.382 -0.454 30 20 DBED C=CCNC(=O)CN(C)CCNC(=O)c1cc(CC)nn1C 1753068935 XYXPAGHHKDQUGW-UHFFFAOYSA-N 307.398 -0.054 30 20 DBED C#CCCCC(=O)NC[C@@H]1CCN(CCN2C(=O)CNC2=O)C1 1753124393 ZEGLABLIRXPDBU-ZDUSSCGKSA-N 320.393 -0.220 30 20 DBED C#CCNC(=O)CNC[C@H](C)CNC(=O)c1oc(C)nc1C 1753608244 GKXPMBMBQPQXDC-JTQLQIEISA-N 306.366 -0.004 30 20 DBED C#CCNC(=O)CNC[C@@H](C)N(C)C(=O)Cc1cccnc1 1753685446 MBOMPGILWLOGFT-CYBMUJFWSA-N 302.378 -0.190 30 20 DBED COCC#CCNC[C@@H](NC(=O)[C@H]1CN(C)C(=O)N1)C1CC1 1754448353 XSEBROOPKBOUTR-CHWSQXEVSA-N 308.382 -0.856 30 20 DBED CCNC(=O)CC(=O)N1CC[C@@H](NCC(=O)NCC#N)C[C@H]1C 1754593548 PIMPABOWFQQUMF-VXGBXAGGSA-N 323.397 -0.879 30 20 DBED C=CCOCCN1CC[C@@](C)(NC(=O)c2nnc(O)nc2O)C1 1754677084 ZQJDZHVRWVDYFV-CQSZACIVSA-N 323.353 -0.320 30 20 DBED C#CCN1CCC[C@](C)(CNC(=O)CN2C(=O)CNC2=O)C1 1754733676 NTEMNFVBFUYVKH-OAHLLOKOSA-N 306.366 -0.610 30 20 DBED C#CCN1CC[C@](O)(CNC(=O)COCc2ccnn2C)C1 1754753115 AUCKHILFFOQYBX-HNNXBMFYSA-N 306.366 -0.877 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC(O)(CNC(=O)C2(C3CC3)CC2)C1 1754769257 SKVWRDFVLJELKU-GFCCVEGCSA-N 319.405 -0.523 30 20 DBED CNC(=O)c1ccc(C(=O)N2CCO[C@H](CNCC#N)C2)cn1 1755015114 YLIPDQFVZDJHII-GFCCVEGCSA-N 317.349 -0.605 30 20 DBED C#CCCNCC1(O)CCN(C(=O)[C@H]2C[C@H]2C(=O)OC)CC1 1755147870 HYWDWJJLXIIRES-QWHCGFSZSA-N 308.378 -0.238 30 20 DBED N#CCN1CCN(CCCCCNC(=O)[C@@H]2COCCO2)CC1 1755173255 NQMNJTJJBZXOFB-HNNXBMFYSA-N 324.425 -0.171 30 20 DBED C#CCOCCC(=O)NCC1[C@@H]2CN(CC(=O)NC3CC3)C[C@@H]12 1755422843 KQUCUBSTYHMHTM-GJZGRUSLSA-N 319.405 -0.401 30 20 DBED C#CCCNC[C@@H](O)CN(C)C(=O)[C@@H](C)CN1CCOCC1 1755796848 UGGHYIJTRXXYCC-LSDHHAIUSA-N 311.426 -0.613 30 20 DBED CN(C(=O)C(=O)C(C)(C)C)C1CC(NCC(=O)NCC#N)C1 1755853512 AYMFFBWEVAKVIF-UHFFFAOYSA-N 308.382 -0.180 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC[C@H]1CN(C)C(=O)c1nc[nH]n1 1755914313 FTRMCZOKTCBNOH-RYUDHWBXSA-N 319.365 -0.094 30 20 DBED C=CC(C)(C)CC(=O)N1CCO[C@@]2(CCN(C(=O)C(N)=O)C2)C1 1756169064 MCJOQOXIYRHQLZ-INIZCTEOSA-N 323.393 -0.096 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C[C@@H](O)CNC(=O)c1[nH]ccc1C 1756662437 GKKZBOKBTUIJBW-STQMWFEESA-N 321.377 -0.089 30 20 DBED CN(C[C@@H](O)CNC(=O)C#CC1CC1)C(=O)Cn1ccnc1 1756668951 MHRXSKYFSUDHNW-ZDUSSCGKSA-N 304.350 -0.768 30 20 DBED CC(C)C#CC(=O)N(C)C[C@H](O)CN(C)C(=O)c1cnn[nH]1 1756685571 IPJSRCMQTLOIBF-NSHDSACASA-N 307.354 -0.645 30 20 DBED C=CCCC1(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cnn[nH]3)C2)CC1 1757020198 UZSHVFPAFPSDGH-VXGBXAGGSA-N 319.365 -0.147 30 20 DBED C#CC(=O)N1CCO[C@]2(CCN(C(=O)CCn3cncn3)C2)C1 1784341715 UQFZPYCNMCYGFX-HNNXBMFYSA-N 317.349 -0.869 30 20 DBED COC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC#N 1795083071 IWWCEWJWSGKSMH-QHBPRCKVSA-N 323.349 -0.557 30 20 DBED COC[C@H](NC(C)=O)C(=O)N1CCCC12CN(C(=O)CC#N)C2 1844383852 CIMDRLNVKQERBK-LBPRGKRZSA-N 322.365 -0.745 30 20 DBED C#CC(=O)N1CCCC12CN(C(=O)COC(=O)C(F)(F)F)C2 1845959514 YXJGKHVYXQXOST-UHFFFAOYSA-N 318.251 -0.072 30 20 DBED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)CC1(O)CCC1)C2 1846197292 PNFMGVYQHAQYNB-UHFFFAOYSA-N 320.345 -0.417 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C(O)O)c1 1847446164 CIXIONRVKQNTFP-QWRGUYRKSA-N 304.306 -0.988 30 20 DBED C=C(Cl)CN1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 51768522 SHBGFYZTIKKIPJ-UHFFFAOYSA-N 322.862 -0.151 30 20 DBED C#CCN1CCN(C(=O)CN(C)Cc2nnc3n2CCC3)CC1 85871216 UBCMLJRVEAUGDY-UHFFFAOYSA-N 316.409 -0.567 30 20 DBED C=CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)CC(=O)OCC 110055389 DBXDSRNGKVBDGP-NSHDSACASA-N 318.395 -0.659 30 20 DBED COCCN1CCN(S(=O)(=O)N(C)CCC#N)C[C@@H]1C 117369702 RPBIAFPSCATBBT-LBPRGKRZSA-N 304.416 -0.271 30 20 DBED CCc1c(C(=O)N[C@H](C)C#N)cnc2c1c(=O)n(C)c(=O)n2C 133318665 IUPXNGNRTZZIQM-MRVPVSSYSA-N 315.333 -0.164 30 20 DBED N#CCN(CC#N)C(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 264179482 LITGOJYCXPENQG-ZDUSSCGKSA-N 319.365 -0.957 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C)CCCCN)C1=O 292021546 FKLXTKUNWDIHQL-JTQLQIEISA-N 310.354 -0.403 30 20 DBED CCS(=O)(=O)NCCNC(=O)COc1ccccc1C#N 298417910 LFVTWJKAPFSFAS-UHFFFAOYSA-N 311.363 -0.007 30 20 DBED CN1C(O)=N[C@@H]2CN(/C(O)=N/[C@@H]3CC(=O)N(C4CC4)C3)CC[C@@H]21 329087366 VBWCJFIYQVNEAL-JLLWLGSASA-N 321.381 -0.034 30 20 DBED CCOC(=O)[C@H](C)[C@H](C)NS(=O)(=O)N1CCO[C@H](C#N)C1 336950591 SZUXXAYSHMOWRV-OUAUKWLOSA-N 319.383 -0.367 30 20 DBED C[C@@H]1CCCN(S(=O)(=O)N2CCO[C@H](C#N)C2)[C@H]1CO 336950729 TZEKDXFYYNQMIW-UTUOFQBUSA-N 303.384 -0.452 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)NC[C@H]2COCCO2)cc1 339154797 MQXJBRWWAJLLRZ-ZDUSSCGKSA-N 303.318 -0.180 30 20 DBED CNC(=O)N[C@@H]1CCN(C(=O)CNc2ccc(C#N)cn2)C1 344936896 GYTVPSSRUOTCCA-LLVKDONJSA-N 302.338 -0.105 30 20 DBED CCN(CCOC)C(=O)C(=O)Nc1cc(C)n(CCC#N)n1 348828286 PRZZNJVOYIKYPN-UHFFFAOYSA-N 307.354 0.539 30 20 DBED COC(=O)CN(CC#N)C(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O 353562447 CJPKRIQYHWFUHI-QWRGUYRKSA-N 321.333 -0.313 30 20 DBED C[C@](O)(CO)CNC(=O)C(=O)N1CCc2ccc(C#N)cc21 362209490 CFOXEYIKHALILS-OAHLLOKOSA-N 303.318 -0.693 30 20 DBED C=CCNC(=O)NC(=O)CN1CC[C@@H](OC)C[C@H]1C(=O)OC 370349453 QORLXGPMRSFIMH-MNOVXSKESA-N 313.354 -0.349 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N1CCN2C(=O)NC[C@@H]2C1 375699565 YISQGJOBXKLGLB-VHSXEESVSA-N 301.372 -0.825 30 20 DBED CN1C(=O)CC[C@H](NC(=O)CNc2ccc(C#N)cn2)C1=O 425086756 KTYDSWISBOIYNX-JTQLQIEISA-N 301.306 -0.371 30 20 DBED Cc1c(C#N)cccc1NC(=O)C(=O)NC[C@H](O)CN(C)C 431865970 DANPMZLJDJHDBB-LBPRGKRZSA-N 304.350 -0.156 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCCC[C@@H]2COC)C1=O 456931396 IHPNBZNJJSFPTM-LLVKDONJSA-N 323.349 -0.009 30 20 DBED CC#CCCNC(=O)CCNS(=O)(=O)c1cn(C)c(C)n1 543606197 HKSGVYFFJULOMN-UHFFFAOYSA-N 312.395 -0.073 30 20 DBED COc1cc(C#N)ccc1NC(=O)C(=O)N[C@@H](C)CC(N)=O 568823556 YVKAIQQMALPCCB-QMMMGPOBSA-N 304.306 -0.115 30 20 DBED C[C@@H]1CC[C@H](C(=O)O)CN1c1c(C#N)c(=O)n(C)c(=O)n1C 595973203 HHRCNAVONQYVTE-BDAKNGLRSA-N 306.322 -0.355 30 20 DBED CNS(=O)(=O)N1CCN(C(=O)NCC2(C#N)CC2)CC1 596588145 VAGILGOODMYRLI-UHFFFAOYSA-N 301.372 -0.918 30 20 DBED C[C@H]1CN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC[C@@H]1C(=O)O 600800458 LNDUAPSXEDYZRJ-IUCAKERBSA-N 306.322 -0.497 30 20 DBED C=C[C@@H](O)C(=O)N1CCN(CC(=O)NCc2ccccc2)CC1 646617768 GHIKWXURZIYFGN-OAHLLOKOSA-N 317.389 -0.006 30 20 DBED C=CCCOCCNC(=O)NCCNS(=O)(=O)N(C)C 665011346 DAGVBBKLCBHBKX-UHFFFAOYSA-N 308.404 -0.726 30 20 DBED N#C[C@H]1CN(C(=O)c2ccc(F)c(S(N)(=O)=O)c2)CCO1 729978895 WZTFHZMFYIXTKX-VIFPVBQESA-N 313.310 -0.162 30 20 DBED N#Cc1ccc([C@H](C(=O)O)N2CCN(CC(N)=O)CC2)cc1 739107756 ZIIAXVKADSOSHX-CQSZACIVSA-N 302.334 -0.213 30 20 DBED COC[C@@H](C)NC(=O)NC(=O)COC(=O)c1cc(C#N)c[nH]1 748222468 GFDWHVLRRWPKHL-MRVPVSSYSA-N 308.294 -0.096 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)OCC[C@H]2CCOC2=O)C1=O 754096795 SQVOWBVPYISTDB-VIFPVBQESA-N 324.289 -0.540 30 20 DBED C#CCNC(=O)COC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 766921674 HCGCMHJOGUBBKZ-GFCCVEGCSA-N 315.329 -0.277 30 20 DBED COC(=O)c1cn(CC(=O)O[C@H](C)C(=O)N(C)CCC#N)nn1 786545471 VQBWTZXMGMUAKS-SECBINFHSA-N 323.309 -0.632 30 20 DBED COCCNC(=O)[C@H](C#N)C(=O)[C@H]1CCc2cnn(C)c2C1 798816021 HATLVOHUBYUPQI-CMPLNLGQSA-N 304.350 -0.004 30 20 DBED C=CCS(=O)(=O)CCNS(=O)(=O)N(C)C[C@H](C)C#N 800107431 PQTVXRLRSANWTG-SNVBAGLBSA-N 309.413 -0.487 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)NCCN1C(=O)CSC1=O 800901128 OKMRVIJGDTYIHW-MRVPVSSYSA-N 320.396 -0.250 30 20 DBED N#Cc1ccc([C@H](O)CN2CCNC(=O)[C@@H]2CC(=O)O)cc1 833072916 SNHYXPBBOBLPRA-QWHCGFSZSA-N 303.318 -0.133 30 20 DBED CS(=O)(=O)c1ccccc1CC(=O)N[C@H]1CNC[C@@H]1C#N 834499815 NCRBKFURAKNJOM-RYUDHWBXSA-N 307.375 -0.140 30 20 DBED C#CCn1cc(CNC(=O)c2nc(N)nc(N(C)C)n2)cn1 834614857 UAXPVQFXIWCAPC-UHFFFAOYSA-N 300.326 -0.721 30 20 DBED C#CCN(C)CCCNC(=O)NC1CC(NS(C)(=O)=O)C1 836447320 VOJQOVDLMRVJIX-UHFFFAOYSA-N 316.427 -0.679 30 20 DBED CON=CC(=O)NCc1csc(N(C)C(=O)C=NOC)n1 843790150 BXTDMBIHWUQIQI-UHFFFAOYSA-N 313.339 -0.014 30 20 DBED C#CCNc1nc(NC/C=C\CO)nc(NC/C=C\CO)n1 853794966 HEPRAFYUZCPCGQ-GLIMQPGKSA-N 304.354 -0.163 30 20 DBED C#CCN1CCN(C(=O)[C@H]2CC(=O)N(c3cnn(C)c3)C2)CC1 859357070 HXPJDKDHLJRLMR-ZDUSSCGKSA-N 315.377 -0.450 30 20 DBED CCCCCCCNC(=O)C(=O)NCC(=O)N1CCNCC1 861777226 PZPRLSRBFOECEZ-UHFFFAOYSA-N 312.414 -0.379 30 20 DBED C#CCN1CCN(C(=O)Cn2cnc3onc(C)c3c2=O)CC1 865369602 CWRVGUCBFPSCOV-UHFFFAOYSA-N 315.333 -0.530 30 20 DBED C#CC[C@H](CO)NS(=O)(=O)N1CCC[C@@H](C(=O)OCC)C1 882342719 HJYAKUQXUDKVDD-VXGBXAGGSA-N 318.395 -0.520 30 20 DBED C#CC1(O)CN(C(=O)[C@H](C)NS(=O)(=O)c2cccs2)C1 890520599 KAZBRAQVVWJFCT-VIFPVBQESA-N 314.388 -0.379 30 20 DBED CN1CCN(c2ncccc2CNC(=O)NCC#CCO)CC1 923782296 NLNZZNHOTIJFFP-UHFFFAOYSA-N 317.393 -0.372 30 20 DBED C#CC1(O)CN(CC(=O)N(CCC(N)=O)c2ccc(F)cc2)C1 934441685 GXXJRRBYJREACS-UHFFFAOYSA-N 319.336 -0.286 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@H](NC(=O)CN2CCNC(=O)C2)C1 938405578 SDLLDGQRPBIKPL-LBPRGKRZSA-N 322.409 -0.653 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H]2CCCN2C(=O)CC(N)=O)c1 943920390 UHRWVJKGXGTSNH-SNVBAGLBSA-N 303.322 -0.517 30 20 DBED C#CCN1CCC[C@H](N(C)C(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 948821118 ZBEFUAVXNDUONH-RYUDHWBXSA-N 306.366 -0.469 30 20 DBED C=CCCn1cc(C(=O)N2CCN([C@H](C)C(=O)NC)CC2)nn1 951607912 ZLIQFNFDEALRSX-GFCCVEGCSA-N 320.397 -0.254 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H](NC(=O)Cn2cnnc2O)C1 951868076 PGCGLVJSCKNHFY-NXEZZACHSA-N 306.326 -0.749 30 20 DBED CN(C(=O)[C@@H]1CCNC(=O)C1)C1CN(C(=O)C#CC2CC2)C1 954033258 VVGMLIMUKSRACZ-GFCCVEGCSA-N 303.362 -0.405 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@@H]2COC(=O)N2)C1 954193434 LFHGFKICOZZEAF-WOPDTQHZSA-N 323.349 -0.645 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(C)(NC(=O)[C@H]2COC(=O)N2)CC1 956357568 WBVYRCBEGLPVHK-VHSXEESVSA-N 308.338 -0.248 30 20 DBED CC#CCN1C[C@H](O)[C@H](CNC(=O)c2cc3n(n2)CCC3)C1 958126109 HUGTVOGZHHJZNH-DOMZBBRYSA-N 302.378 -0.125 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](NC(=O)c2nnc(O)nc2O)[C@H](C)C1 958367939 GFPVQIYDDHBWDK-XLPZGREQSA-N 320.309 -0.981 30 20 DBED N#CCN1C[C@H](CNC(=O)c2cnc3cccnn23)[C@@H](O)C1 958468122 SBCBDKKIGABBDM-JQWIXIFHSA-N 300.322 -0.725 30 20 DBED C#CCN1CCC(C(=O)NC2[C@@H]3CN(CC(=O)NC)C[C@@H]23)CC1 962771645 HOKDXEHXIIUDGV-ZIAGYGMSSA-N 318.421 -0.876 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CCCN(C(=O)[C@@H]3CCC(=O)N3)[C@@H]2C1 963792730 WDVRXWLUURWXGV-MROQNXINSA-N 318.377 -0.126 30 20 DBED C#CCNC1CC2(C1)CC(NC(=O)c1cn(C)c(=O)nc1O)C2 965912615 NVDREOOKWWVCPZ-UHFFFAOYSA-N 316.361 -0.250 30 20 DBED C#Cc1ccccc1CC(=O)N1C[C@H](C)[C@@H](NC(=O)C(N)=O)C1 966644368 ADYYQNZQSSISEW-FZMZJTMJSA-N 313.357 -0.341 30 20 DBED CCN(C(=O)[C@H]1COCCN1C)C1CN(C(=O)[C@H](C)C#N)C1 967886442 KLPXJRAAPJRSKW-DGCLKSJQSA-N 308.382 -0.464 30 20 DBED C[C@@H]1CCN(CC#N)C[C@@H]1NC(=O)c1cnn2c(=O)cc[nH]c12 968399892 IPYIDJGZLZVJBQ-PWSUYJOCSA-N 314.349 -0.014 30 20 DBED CCc1n[nH]cc1C(=O)N[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1O 968684272 YKDLPOMTYIISRH-FXAINCCUSA-N 305.338 -0.567 30 20 DBED CN1CC[C@H](CC(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2O)C1 969066596 CFCUBUGVKONTLQ-KFWWJZLASA-N 319.405 -0.571 30 20 DBED N#CCN1CCO[C@]2(CCN(C(=O)CN3CCCCC3=O)C2)C1 972447629 SMRCFNHUJLZMNE-MRXNPFEDSA-N 320.393 -0.174 30 20 DBED C[C@]1(C(=O)N2CC[C@]3(CN(CC#N)CCO3)C2)CNC(=O)C1 972480002 GDNQCIMOIBJEBO-CABCVRRESA-N 306.366 -0.661 30 20 DBED CN1C(=O)CC[C@@H]1C(=O)N1CC[C@@]2(CN(CC#N)CCO2)C1 972513769 KDZCVBRZMUQAKN-IUODEOHRSA-N 306.366 -0.566 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1[C@@H]2CN(C(=O)C(F)F)C[C@@H]21 976743106 WEGRBALJPDTBJN-WHOHXGKFSA-N 311.332 -0.078 30 20 DBED C#CCN1C[C@H]2C(CNC(=O)c3cn(CCOC)nn3)[C@@H]2C1 978155042 MPYXGZOWMMFOJP-STQMWFEESA-N 303.366 -0.535 30 20 DBED N#CCN[C@@H]1CCC[C@@H](NC(=O)CN2CCC(=O)NC2=O)C1 981441156 OEIBRZBEZRYOPP-GHMZBOCLSA-N 307.354 -0.531 30 20 DBED C=CCN1CCCC2(C1)CN(C(=O)CN1C(=O)CN(C)C1=O)C2 982144072 VPNKQBCQQJFBFR-UHFFFAOYSA-N 320.393 -0.009 30 20 DBED C#CCN(C)C1CCN(C(=O)Cn2nc(C)n(C)c2=O)CC1 985774522 TZXGDMDFQFOTPM-UHFFFAOYSA-N 305.382 -0.554 30 20 DBED C=CCN[C@H]1CCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)[C@@H]1C 987104454 PUKGDFYKZUTDPL-ZJUUUORDSA-N 308.338 -0.828 30 20 DBED C#CCCN1CCCN(C(=O)CC[C@@H]2NC(=O)NC2=O)CC1 989625987 QVWDPFWYKQQTPB-LBPRGKRZSA-N 306.366 -0.468 30 20 DBED N#Cc1c[nH]c(C(=O)NC2CN(C(=O)CCc3cnn[nH]3)C2)c1 990708806 KMIWPRHYPKZALE-UHFFFAOYSA-N 313.321 -0.422 30 20 DBED N#Cc1c[nH]c(C(=O)NC2CN(C(=O)[C@@H]3CCC(=O)NC3)C2)c1 990724730 YUSPRHMEHRTFDQ-SNVBAGLBSA-N 315.333 -0.647 30 20 DBED Cn1ncc(C(=O)N2CC(NC(=O)c3ccc(C#N)[nH]3)C2)c1N 990890592 RUUUBNCEASQTCW-UHFFFAOYSA-N 313.321 -0.544 30 20 DBED C[C@H]1[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)CCCN1CC#N 994210218 LQOXWYVOANEJES-UWVGGRQHSA-N 315.337 -0.476 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C[C@@H]1CCCN1C(=O)C(N)=O 1002925256 WDSJRVNPLRRMMZ-XQQFMLRXSA-N 323.393 -0.098 30 20 DBED CC(=O)N1CC[C@@H](C(=O)NCC2CN(C(=O)[C@@H](C)C#N)C2)C1 1003641252 NZEBTUTZKQOMQR-GXFFZTMASA-N 306.366 -0.411 30 20 DBED C#Cc1cncc(C(=O)N2CCC[C@@H](NC(=O)C(N)=O)[C@@H]2C)c1 1015197586 ZVESLRMNZSQFIK-GXFFZTMASA-N 314.345 -0.343 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CCN(CCS(C)(=O)=O)C2)cn1 1016032337 XZRQDIXIFOAAFY-CQSZACIVSA-N 321.402 -0.088 30 20 DBED CC#CCN1CCC2(CC1)C[C@@H]2NC(=O)Cn1cnnc1O 1016585569 BUOOFEIIZUGNPO-LBPRGKRZSA-N 303.366 -0.022 30 20 DBED C=CCN1CC[C@H](N[C@H]2C[C@H](NC(=O)[C@H]3CCN(C)C3)C2)C1=O 1021049042 GBVFEGKPUNYNPV-AJNGGQMLSA-N 320.437 -0.038 30 20 DBED C#CCCN1[C@H]2CC[C@H]1CC(NC(=O)CN1CC(=O)NC1=O)C2 1021412636 GVNXMXONNVZNLG-STQMWFEESA-N 318.377 -0.327 30 20 DBED C=CCn1cc(C(=O)N[C@H]2C[C@@H](NCc3nncn3C)C2)nn1 1022824556 GWQCACGZJUTVEH-PHIMTYICSA-N 316.369 -0.357 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnn3c2CCC3)C1 1024220144 YVOOBKJVCURGSM-UFGOTCBOSA-N 317.349 -0.710 30 20 DBED CCn1cnc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2O)c1 1024794342 WHLAQGNGJSJRTH-CKYFFXLPSA-N 305.338 -0.636 30 20 DBED CCc1ncoc1C(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1025547424 GJOWKMMURQUYQU-CHWSQXEVSA-N 317.345 -0.048 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2cnc[nH]2)C1 1025803014 PVQSUJHQLRWBPC-VXGBXAGGSA-N 306.366 -0.148 30 20 DBED CN1CC[C@@H](C(=O)NC[C@@H]2CCCN2CC#N)S1(=O)=O 1028196338 IWVYHCIRJHYLBW-QWRGUYRKSA-N 300.384 -0.876 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCC1CN(Cc2cnn(C)n2)C1 1031740507 DQSWYKWUNVVOGJ-HNNXBMFYSA-N 316.409 -0.539 30 20 DBED C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)Cn1ccc(O)nc1=O 1032503897 XIVZZGCRXWDJLR-RYUDHWBXSA-N 304.350 -0.190 30 20 DBED C=CCN1CC[C@H](N2CC[C@H](NC(=O)[C@H]3CCC(=O)N3)C2)C1=O 1032824657 KYZBWKKZXUSQFZ-XQQFMLRXSA-N 320.393 -0.758 30 20 DBED C=C(C)CN1CCO[C@H](CNC(=O)c2cnc(O)n(C)c2=O)C1 1035467756 QQHBNUWXRVHIIR-LLVKDONJSA-N 322.365 -0.507 30 20 DBED Cc1ccnc(C(=O)NC[C@]2(O)CCN(C(=O)[C@H](C)C#N)C2)n1 1039596627 WCMZZJVAHADQKA-MEBBXXQBSA-N 317.349 -0.362 30 20 DBED C[C@H]1[C@@H](Nc2ccc(C#N)nn2)CCN1C(=O)[C@H]1CNC(=O)N1 1040234002 IJDSTNFMDALHHE-INTQDDNPSA-N 315.337 -0.569 30 20 DBED C=CCCC(=O)N1CC[C@](O)(CNC(=O)C[C@H]2CCC(=O)N2)C1 1040285671 UOXLIRLZCHZMAP-WBMJQRKESA-N 323.393 -0.299 30 20 DBED C[C@@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)c2cscn2)C1 1040762458 IILQZZGVHLZFDQ-TVQRCGJNSA-N 308.363 -0.004 30 20 DBED CC#CCCCC(=O)N1CC(O)(CNC(=O)CNC(C)=O)C1 1041215115 GIBPLCFUASQEQU-UHFFFAOYSA-N 309.366 -0.994 30 20 DBED CC(C)(C)C#CC(=O)N1CC(O)(CNC(=O)[C@H]2COCCO2)C1 1041593746 KNTNVINSCKEZOY-GFCCVEGCSA-N 324.377 -0.859 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@@H]2C(=O)OC)C1 1041981236 WVCJJUGBPUJOOH-MNOVXSKESA-N 324.377 -0.303 30 20 DBED C=CC(C)(C)CC(=O)N1CC(O)(CNC(=O)c2cnnn2C)C1 1042848051 ONOOLYQEBMRMCQ-UHFFFAOYSA-N 321.381 -0.280 30 20 DBED CC#CCCCC(=O)N1CC(O)(CNC(=O)c2cn(C)nn2)C1 1042885381 KHUWXJSQXDHUCI-UHFFFAOYSA-N 319.365 -0.688 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)[C@H](C)SC)C1 1043036920 UEPDJPAGABXESQ-QWRGUYRKSA-N 314.407 -0.534 30 20 DBED Cc1noc(CCC(=O)NCC2(O)CN(C(=O)[C@@H](C)C#N)C2)n1 1044341350 JAYBDYLHOLYKAG-VIFPVBQESA-N 321.337 -0.840 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)CCCC(N)=O)C1 1044463590 HCXFFZWMNZKGBR-UHFFFAOYSA-N 311.382 -0.456 30 20 DBED CCc1nc[nH]c1C(=O)NCC1(O)CN(C(=O)C#CC(C)C)C1 1044700036 HCBLIVWKACXVRS-UHFFFAOYSA-N 318.377 -0.065 30 20 DBED C=C[C@H](C)[C@@H](C)C(=O)NCC1(O)CN(C(=O)C2(C(N)=O)CC2)C1 1044980612 ONNUEXGGADAMCD-WDEREUQCSA-N 323.393 -0.600 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)COCC(F)F)C1 1045559670 NTHUKOBHVXMXMN-MRVPVSSYSA-N 305.281 -0.883 30 20 DBED N#CCN1CC[C@@H](N2CCN(C(=O)Cc3cc[nH]n3)CC2)C1 1046018420 WFSVSINLTHJXIL-CQSZACIVSA-N 302.382 -0.306 30 20 DBED N#CCN1CC[C@@H](N2CCN(C(=O)[C@@H]3CCC(=O)NC3)CC2)C1 1046042817 NJDNSPYBWKJNNN-ZIAGYGMSSA-N 319.409 -0.745 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)[C@H](COC)OC)C1 1046236911 NAKGFDYSOMTHIJ-LBPRGKRZSA-N 312.366 -0.859 30 20 DBED CC[C@@H](C(N)=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]c(C#N)c2)C1 1047354070 WBPSNZQVOSOTAJ-AVGNSLFASA-N 319.365 -0.733 30 20 DBED C=CCCN1C[C@H](O)[C@@H](N(C)C(=O)CN2CCCNC2=O)C1 1047443021 QDDHLBNZWQNHJI-STQMWFEESA-N 310.398 -0.519 30 20 DBED CN(C(=O)[C@@H]1CCc2nncn2CC1)[C@H]1CN(CC#N)C[C@@H]1O 1047462355 AOHVCSQZQNVZHW-AGIUHOORSA-N 318.381 -0.742 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCNC(=O)CC2)C1 1047470532 TUEMGKFBBDPSLL-RDBSUJKOSA-N 307.394 -0.571 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCc3nc[nH]c32)C1 1047525332 RUIJJGVVCXWHOZ-UBHSHLNASA-N 302.378 -0.034 30 20 DBED CN(C(=O)C#CC1CC1)[C@H]1CN(C(=O)Cc2ccon2)C[C@@H]1O 1048821170 ICYYNDREVPLQSS-KBPBESRZSA-N 317.345 -0.339 30 20 DBED CC(C)N(C)CC(=O)N(C)[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 1048972783 BZZDPLGVHYETQL-GJZGRUSLSA-N 321.421 -0.230 30 20 DBED CC#CCN1C[C@H]2CN(C(=O)c3cnc(O)n(C)c3=O)C[C@H]2C1 1048975561 RRKJVBDXZFYXMM-TXEJJXNPSA-N 316.361 -0.487 30 20 DBED Cn1nc(C(=O)N2CCC[C@@H]3[C@H]2CCN3CC#N)ccc1=O 1049882104 VCVKMLWZDRSANE-CHWSQXEVSA-N 301.350 -0.017 30 20 DBED C=CCOCC(=O)N1CC[C@H]([C@H](C)NC(=O)c2nnn(C)n2)C1 1050304175 MUHUIQYTOJVWKJ-QWRGUYRKSA-N 322.369 -0.621 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@H](CNCc2ccn(C)c(=O)c2)C1 1051494503 IWIAZRIGGMXBOC-GXTWGEPZSA-N 318.377 -0.138 30 20 DBED CN1CCC[C@@H](NC[C@H]2CN(C(=O)C#CC3CC3)CCO2)C1=O 1051609022 MOYHOXSRICYIDG-LSDHHAIUSA-N 319.405 -0.162 30 20 DBED O=C1CC[C@H](NC[C@@H]2CN(C(=O)C#CC3CC3)CCO2)C(=O)N1 1051609105 OBUKVUOUJBDEMW-OLZOCXBDSA-N 319.361 -0.978 30 20 DBED C#CCN1CCC(C(=O)N2CCOC3(CN(CC#C)C3)C2)CC1 1053541172 VHPIZAJWGAQOIW-UHFFFAOYSA-N 315.417 -0.122 30 20 DBED CN1CC[C@@H](C(=O)NC[C@H]2CCC3(CN(CC#N)C3)O2)CC1=O 1053619174 MWMJZJFQAIFCPU-CHWSQXEVSA-N 320.393 -0.272 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)C(=O)N3CCC(C)CC3)CO2)C1 1053948689 QRGQTLMLBFCCJE-AWEZNQCLSA-N 319.405 -0.162 30 20 DBED C#CCN1CC[C@]2(CCCN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)C1 1054147018 YHZZNNIMAQOVSG-BLLLJJGKSA-N 318.377 -0.468 30 20 DBED O=C(C#CC1CC1)N[C@]1(CO)CCCN(C(=O)c2nc[nH]n2)C1 1055938668 JVXASVXLMWNLPK-OAHLLOKOSA-N 317.349 -0.699 30 20 DBED C=C(C)C[C@H](C)C(=O)NCCN(CCO)C(=O)Cn1cnnn1 1056933341 XQIPTVFKOAEKDU-LBPRGKRZSA-N 324.385 -0.788 30 20 DBED Cc1cn(C)nc1C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N 1057545715 LTLCNYOWWZVLBR-JTQLQIEISA-N 307.354 -0.561 30 20 DBED Cc1nonc1CC(=O)N[C@@H]1CCN(c2cncc(C#N)n2)C1 1058430576 YBHXNADFTVREME-SNVBAGLBSA-N 313.321 -0.023 30 20 DBED Cc1cnn(CCC(=O)NCCN(CCO)C(=O)[C@@H](C)C#N)c1 1058660777 IIIXHWYBNWBTTE-ZDUSSCGKSA-N 321.381 -0.322 30 20 DBED N#Cc1nc(=N[C@@H]2CC[C@H]3CN(C(=O)CC(N)=O)C[C@H]32)cc[nH]1 1060524019 SZRGFFDQQGKTJK-HBNTYKKESA-N 314.349 -0.706 30 20 DBED C#Cc1cncc(C(=O)N2CCOC[C@H]2CNC(=O)COC)c1 1061203465 ZYAKRSLCTACEQL-CQSZACIVSA-N 317.345 -0.334 30 20 DBED C=CCOCC(=O)N1CCOC[C@H]1CNC(=O)C1=CCOCC1 1061523483 PKYYPLQMLWXADV-CQSZACIVSA-N 324.377 -0.121 30 20 DBED CCNC(=O)CC(=O)N1CCOC[C@@H]1CNC(=O)[C@H](C)C#N 1061845988 AFNYZXNCZGMLQZ-MNOVXSKESA-N 310.354 -0.984 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)C(=O)NCC1CC1 1061848787 VHYCCPRFNRSXSW-PWSUYJOCSA-N 322.365 -0.984 30 20 DBED C=CCOCC(=O)NCC1(NC(=O)[C@@H]2CC(=O)N(C)C2)CCC1 1062704388 JCTQKIUBLCZOPA-GFCCVEGCSA-N 323.393 -0.178 30 20 DBED C#CCO[C@@H](C)C(=O)NC1(CNC(=O)[C@@H]2COC(=O)N2)CCC1 1062904404 ZYSJNLJSHWTIMV-QWRGUYRKSA-N 323.349 -0.712 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(NC(=O)[C@H]2CCC(=O)N2)CCC1 1063041905 HKHVOVNCEGGWIH-NWDGAFQWSA-N 321.377 -0.542 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(NC(=O)CNC(=O)NC)CCC1 1063046400 LOSOBWAEYYWRPN-NSHDSACASA-N 324.381 -0.891 30 20 DBED C#CCCCCCC(=O)N1CCO[C@H](CNC(=O)CC(N)=O)C1 1065429465 RNIHDKZZLWIQHV-CYBMUJFWSA-N 323.393 -0.211 30 20 DBED N#Cc1cncc(N2C[C@H]3CN(C(=O)c4cnon4)C[C@H]3C2)n1 1066020477 PALGISMFQLMNRF-AOOOYVTPSA-N 311.305 -0.060 30 20 DBED N#Cc1c[nH]ccc1=NCC[C@H]1CCN(C(=O)CC(N)=O)C1 1066289757 GQWLZYSPKCQONS-NSHDSACASA-N 301.350 -0.099 30 20 DBED C#CCCCC(=O)N1CCC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)CC1 1066458609 JJOJBAJCOHXWJV-OLZOCXBDSA-N 320.393 -0.031 30 20 DBED N#Cc1nc(=NCC2CC(NC(=O)Cc3nc[nH]n3)C2)cc[nH]1 1067864826 QMLOGMJHOKPHKJ-UHFFFAOYSA-N 312.337 -0.562 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1COC2(C1)CN(C(=O)c1ncc[nH]1)C2 1069002330 DOMFQKICWXFYHG-ZJUUUORDSA-N 303.322 -0.331 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)[C@@H]2CCOC2)CCOCC1 1070025098 MTZOQZXQAYAPNZ-NWDGAFQWSA-N 309.366 -0.036 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CCCN(C(=O)CNC(C)=O)C1 1070368144 SQKONFCBOFMERY-WCQYABFASA-N 311.382 -0.179 30 20 DBED CC(C)(C)C#CC(=O)N[C@@H]1CCCN(C(=O)[C@H]2CNC(=O)N2)C1 1071207489 DFVQHVJWNSJKBV-VXGBXAGGSA-N 320.393 -0.176 30 20 DBED C#CCCCC(=O)N[C@H]1CN(C(=O)Cn2cnnc2O)C[C@H]1C 1071943436 OPWOXZXEQSZKGJ-NEPJUHHUSA-N 319.365 -0.250 30 20 DBED C=CCN1CCC2(C1)CN(C(=O)Cn1ccc(O)nc1=O)C2 1072901512 VIJDOFIKAAHBIT-UHFFFAOYSA-N 304.350 -0.331 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 1073772192 HXOXPJXHEVTKMB-HZSPNIEDSA-N 307.394 -0.272 30 20 DBED C=CCCC(=O)N[C@H]1CCN(C(=O)Cn2ncnn2)C[C@@H]1C 1073808772 LDJWDFPGGQOJNS-RYUDHWBXSA-N 306.370 -0.008 30 20 DBED C=CCCN1CCO[C@@H]2CCN(C(=O)Cn3cnnc3O)C[C@@H]21 1074219349 OIRLFQDEQRGPMM-QWHCGFSZSA-N 321.381 -0.139 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@H]3OCCN(CCO)[C@H]3C2)[nH]1 1074219797 WJFVUFKHQHPGMX-UONOGXRCSA-N 304.350 -0.206 30 20 DBED C#CCCCC(=O)NCC[C@H](C)NC(=O)CS(=O)(=O)NC 1076296599 LQMSXEMNEZYVMD-NSHDSACASA-N 317.411 -0.650 30 20 DBED C=C(C)CN1C[C@@H]2CCN(C(=O)Cn3c(O)nnc3O)[C@@H]2C1 1076499701 OZUZXVWNAFLBGJ-WDEREUQCSA-N 307.354 -0.202 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(Cc2csnn2)C[C@H]1O 1077694597 WFUWOKTVSYUHJY-LPWJVIDDSA-N 324.406 -0.210 30 20 DBED Cn1cc(C(=O)N2C[C@H]3CC[C@H]2[C@@H](NCC#N)C3)c(O)nc1=O 1079105754 QKMUJVVBZMFMLH-DLOVCJGASA-N 317.349 -0.408 30 20 DBED C#CCCCC(=O)N1CCOC2(CCN(C(=O)C(N)=O)CC2)C1 1079139989 PYVRWLNHDTZLHO-UHFFFAOYSA-N 321.377 -0.505 30 20 DBED CCN(C(=O)C#CC(C)C)C1CN(C(=O)[C@H](C)NC(N)=O)C1 1079724465 NYSNSSPIBHPHDI-NSHDSACASA-N 308.382 -0.238 30 20 DBED CC[C@H](C(=O)NC1(CO)CCN(C(=O)[C@H](C)C#N)CC1)N(C)C 1080902664 HFSVVEGEISULJA-CHWSQXEVSA-N 324.425 -0.044 30 20 DBED C[C@H](C#N)C(=O)NC1(CO)CCN(C(=O)Cc2ccon2)CC1 1080980051 IJYIKWXKJXFYBZ-LLVKDONJSA-N 320.349 -0.154 30 20 DBED C[C@@H](C#N)C(=O)NC1(CO)CCN(C(=O)Cc2ncc[nH]2)CC1 1080981733 LCCRNTZUHNHQHN-NSHDSACASA-N 319.365 -0.418 30 20 DBED C[C@H](C#N)C(=O)NC1(CO)CCN(C(=O)[C@H]2CCCO2)CC1 1080981775 LSRQQPKMQZTUFD-VXGBXAGGSA-N 309.366 -0.205 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)c2nnn(C)c2C)C[C@H]1O 1081333746 XIQOMHXMSBYVKU-NWDGAFQWSA-N 321.381 -0.361 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)c2n[nH]cc2F)C[C@H]1O 1081465454 HJPXUVTUYSCVHI-ZYHUDNBSSA-N 322.340 -0.243 30 20 DBED C=CCCC1(C(=O)N2C[C@H](O)[C@H](CNC(=O)C(N)=O)C2)CC1 1081719284 PBKJXJALIFGRIR-MNOVXSKESA-N 309.366 -0.846 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1cc2c(cn1)OCCO2 1081805266 ORWJKBIZYCBBIN-BXUZGUMPSA-N 318.333 -0.195 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCC(=O)N2C)C1 1083701211 PJHGPZCBQXQVLV-VWYCJHECSA-N 301.774 -0.479 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCCCN(C)C2=O)C1 1083947382 QXGUEOABHMBABZ-MCIONIFRSA-N 309.410 -0.018 30 20 DBED CC(=O)NCC(=O)N[C@H]1CC[C@H](C)N(c2cnc(C#N)cn2)C1 1089105301 IKTYJKAKNOOFHY-JQWIXIFHSA-N 316.365 -0.042 30 20 DBED C[C@H](C[C@@H](C)NC(=O)Cn1nccn1)N=c1cc[nH]c(C#N)n1 1089393033 GOONABUQERCLIW-GHMZBOCLSA-N 314.353 -0.243 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2cnn3c2OCCC3)[C@@H](O)C1 1090395839 GSVYVXOEZUHONC-NEPJUHHUSA-N 305.338 -0.646 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2nccn3ccnc23)[C@H](O)C1 1090582055 UZSKTRCGTFARIT-GHMZBOCLSA-N 300.322 -0.582 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(c2ccc(C)nn2)C[C@H]1C 1090702634 HCZFTTHYSWRPIB-DGCLKSJQSA-N 315.377 -0.135 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cccc(NC(N)=O)c2)[C@H](O)C1 1090799970 YFUUUEYYMKQRSA-UONOGXRCSA-N 316.361 -0.025 30 20 DBED CO[C@@H]1CN(c2cccc(F)c2C#N)C[C@H]1NC(=O)CC(N)=O 1090877727 VDOJUUKQXBERQR-DGCLKSJQSA-N 320.324 -0.107 30 20 DBED Cc1c[nH]c(CC(N)=O)c1C(=O)NCC1CC(NCC#N)C1 1091245286 UJAPPEDKPKEZCX-UHFFFAOYSA-N 303.366 -0.028 30 20 DBED N#Cc1ccc(NC2CC(CNC(=O)Cn3cnnn3)C2)nn1 1092185799 BNLXZXHGSJGWKX-UHFFFAOYSA-N 313.325 -0.658 30 20 DBED N#Cc1nc(=NC2CC(CNC(=O)Cn3cccn3)C2)cc[nH]1 1092189273 IOGLBZRXJIUMFE-UHFFFAOYSA-N 311.349 -0.026 30 20 DBED CC#CCN1C[C@@H]2CN(C(=O)CN3C(=O)CNC3=O)C[C@]2(C)C1 1092260560 XPZHFXNNBNJMIO-WBMJQRKESA-N 318.377 -0.658 30 20 DBED N#Cc1nccnc1NCCNC(=O)[C@H]1CCCS1(=O)=O 1093670153 PZAZSMOYBTZECV-SNVBAGLBSA-N 309.351 -0.546 30 20 DBED CC(=O)N1CCO[C@@H](C(=O)NCCNc2ccc(C#N)nc2)C1 1093798838 DGBPAYCOHYGNPJ-CQSZACIVSA-N 317.349 -0.271 30 20 DBED COc1c(C(=O)NCCN=c2cc[nH]c(C#N)n2)c(C)nn1C 1093868486 WBCCWJAJXFGNRN-UHFFFAOYSA-N 315.337 -0.337 30 20 DBED N#Cc1c[nH]ccc1=NCCNC(=O)[C@H]1CCCCS1(=O)=O 1093923044 RSZSATQZOBQHIB-CYBMUJFWSA-N 322.390 -0.129 30 20 DBED N#Cc1cncc(NCCNC(=O)C[C@H]2CCS(=O)(=O)C2)n1 1093991909 MXGPGGAPDZXNIP-SNVBAGLBSA-N 323.378 -0.299 30 20 DBED C[C@H](CC(N)=O)C(=O)N1CC[C@@H](N(C)c2ccc(C#N)nn2)C1 1095151047 RQMUGHSCKNRFMP-ZYHUDNBSSA-N 316.365 -0.103 30 20 DBED Cc1nc(N(C)CCCNC(=O)Cn2cnnn2)ccc1C#N 1095485283 MLTFMBBMUJFIBN-UHFFFAOYSA-N 314.353 -0.109 30 20 DBED CN(CCCNC(=O)Cn1cnnn1)c1ccc(C#N)cn1 1095485382 RVHGLWBIMCLHDC-UHFFFAOYSA-N 300.326 -0.418 30 20 DBED CC(=O)NCC(=O)N[C@H]1C[C@H](Nc2nc(C)cc(C#N)n2)C1 1096987764 XSLOWDCYZFSWJB-XYPYZODXSA-N 302.338 -0.148 30 20 DBED CN(C)C(=O)CC(=O)N[C@H]1C[C@H](N=c2cc[nH]cc2C#N)C1 1097106500 SRMHPXQRCJQFQJ-HAQNSBGRSA-N 301.350 -0.087 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H](C)Nc1cc(COC)ncn1 1097768705 QRVAHLYZXOGPLY-NSHDSACASA-N 319.365 -0.321 30 20 DBED C[C@@H](CNC(=O)CC1CS(=O)(=O)C1)Nc1nccnc1C#N 1098123593 FLPLSQXDIIELAX-VIFPVBQESA-N 323.378 -0.300 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)[C@H]1CCNC1=O)C[C@@H](C)O2 1098619273 AKQHUOMOJGSASI-KGLIPLIRSA-N 319.405 -0.162 30 20 DBED C[C@H](CCNC(=O)C1CS(=O)(=O)C1)N=c1cc[nH]cc1C#N 1099522315 SBKPIYQQPMGJNK-SNVBAGLBSA-N 322.390 -0.274 30 20 DBED N#CCNC(=O)CN1CC[C@@H](NC(=O)CC2CCCC2)[C@H](O)C1 1099630696 QFSJOWUGXCLDNR-ZIAGYGMSSA-N 322.409 -0.242 30 20 DBED C=C(Cl)CN1CC[C@H](NC(=O)CNC(=O)C2CC2)[C@@H](O)C1 1099704068 FQVWNNMMRLTNEA-RYUDHWBXSA-N 315.801 -0.184 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)C2=CCCC2)[C@H](O)C1 1099766036 FSNSJKQWXDJJFX-UONOGXRCSA-N 305.378 -0.603 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)c2cn(C)cn2)[C@H](O)C1 1099769625 VHMYXYBHIIEUAB-TZMCWYRMSA-N 308.382 -0.212 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)Cc2ccnn2C)[C@@H](O)C1 1099794996 VJJMIOGXKHDHNJ-CABCVRRESA-N 320.393 -0.836 30 20 DBED CC(C)C#CC(=O)N[C@H]1CCN(Cc2ncnn2C)C[C@@H]1O 1099821161 QKKWWENVSGSLJA-STQMWFEESA-N 305.382 -0.474 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CCN(CC(=O)NC(C)C)C[C@H]1O 1099821209 RCILPFYKJYPMAK-ZIAGYGMSSA-N 309.410 -0.278 30 20 DBED O=C(C#CC1CC1)N[C@H]1CCN(CC(=O)NC2CC2)C[C@H]1O 1099827270 UQHFEKROGTYJFX-UONOGXRCSA-N 305.378 -0.770 30 20 DBED Cc1ncnc(O)c1CCC(=O)N[C@H]1CCN(CC#N)C[C@@H]1O 1099903180 BJUOUWBCZMCYHR-STQMWFEESA-N 319.365 -0.502 30 20 DBED Cc1cnc(COCC(=O)N[C@H]2CCN(CC#N)C[C@H]2O)o1 1099914282 SQUDFAUFRMLVPH-NWDGAFQWSA-N 308.338 -0.425 30 20 DBED C=CCNC(=O)CNC1CC(CNC(=O)[C@H](C)n2cncn2)C1 1100258422 GPIAMYNYEAVMLA-HIFPTAJRSA-N 320.397 -0.374 30 20 DBED CN(CCNC(=O)[C@@]1(C)CCC(=O)NC1)c1nccnc1C#N 1100286220 NGHNHEKDMGFQTO-HNNXBMFYSA-N 316.365 -0.183 30 20 DBED C#CCNC(=O)CC(=O)NCCN(CC)c1ccnc(C)n1 1100492585 JLDKTPFQAKPLDD-UHFFFAOYSA-N 303.366 -0.133 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CC(CNC(=O)CN2CCCC2)C1 1100984293 CLLQFJVLSUHUBJ-WLYUNCDWSA-N 320.437 -0.296 30 20 DBED Cc1cc(C#N)nc(NCCN(C)C(=O)[C@H](C)NC(N)=O)n1 1101557335 HNUQBEZTPXZHNP-VIFPVBQESA-N 305.342 -0.416 30 20 DBED C[C@@H](C(=O)N(C)CCN=c1cc[nH]c(C#N)n1)N1CCOCC1 1101681498 MHJWSAWCPUZMEF-LBPRGKRZSA-N 318.381 -0.639 30 20 DBED CN(CCNc1cnc(C#N)cn1)C(=O)CC1CS(=O)(=O)C1 1101836031 GYSCUQQYLICENA-UHFFFAOYSA-N 323.378 -0.347 30 20 DBED C=CCOCCN1C[C@@H](C)[C@H](CNC(=O)c2nnn(C)n2)C1 1102241383 RHRBMHKEHMFGJE-VXGBXAGGSA-N 308.386 -0.290 30 20 DBED C[C@H](CN=c1cc[nH]cc1C#N)CNC(=O)CCn1cnnn1 1104048004 YXWZFDCADFENQI-LLVKDONJSA-N 314.353 -0.384 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)[C@@H]1[C@H]2COC[C@H]21 1104159625 XJDKRFNPWMIQDR-KZWBYHQPSA-N 301.350 -0.173 30 20 DBED Cc1cc(C#N)nc(NC[C@H](C)N(C)C(=O)CCNC(N)=O)n1 1104564408 ALBFOJAOVTWXKM-JTQLQIEISA-N 319.369 -0.026 30 20 DBED C[C@@H](CNc1nccnc1C#N)N(C)C(=O)[C@@H]1CCC(=O)N1 1104642465 DQZXIJXIIYAZDQ-UWVGGRQHSA-N 302.338 -0.114 30 20 DBED C[C@@H](CNc1ccc(C#N)nn1)N(C)C(=O)[C@@H]1CN(C)C(=O)N1 1104766783 RKJXDENZSIAXEE-ONGXEEELSA-N 317.353 -0.369 30 20 DBED N#CCSCC(=O)N1CCC(OC2CN(CCO)C2)CC1 1105691477 QESSEDSIWZPVGG-UHFFFAOYSA-N 313.423 -0.073 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC(OC2CN(CCO)C2)CC1 1105708589 PJXGQPPPVNTKFB-ZDUSSCGKSA-N 310.394 -0.291 30 20 DBED COCCOCCC(=O)NC[C@@H](O)CNc1ccc(C#N)cn1 1105880823 LDTSSCXZVQKQCN-ZDUSSCGKSA-N 322.365 -0.105 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)Cn2ccnc2)nc1 1105882365 FVXILNWDEOPIPE-LBPRGKRZSA-N 300.322 -0.261 30 20 DBED CCN(CCNc1nccnc1C#N)C(=O)[C@H]1CCC(=O)N1 1106705877 MQOLHSGZOIUMDF-SNVBAGLBSA-N 302.338 -0.113 30 20 DBED C[C@@H]1CN(C(=O)c2cn(C)c(=O)nc2O)C[C@H]1CNCC#N 1106979735 QQNYBXZJSIAUSF-NXEZZACHSA-N 305.338 -0.693 30 20 DBED C=C[C@@](C)(O)CC(=O)NCc1cn(C2CN(C[C@@H](C)O)C2)nn1 1107163837 DGMXGZXXQRHLPY-IAQYHMDHSA-N 323.397 -0.541 30 20 DBED CN1CC[C@@H](C(=O)NC/C=C/CNc2cncc(C#N)n2)C1=O 1107459873 JIGVXCCKKVJYKC-JDGPPOGSSA-N 314.349 -0.089 30 20 DBED C[C@@H](C#N)C(=O)NC[C@]1(C)CN(Cc2cnnn2C)CCO1 1107819310 NMSGKJSQHREDJB-SMDDNHRTSA-N 306.370 -0.318 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)CNC(=O)N2CCCC2)C1 1107939353 AAAGGIFGOUWYQL-INIZCTEOSA-N 322.409 -0.368 30 20 DBED C=CCCN1CCO[C@@](C)(CNC(=O)c2nnc(O)nc2O)C1 1108051288 HTHJMIFGQGZQSN-AWEZNQCLSA-N 323.353 -0.320 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)c2ccc(C(N)=O)[nH]2)C1 1108219357 DZNYIOZYUBHLAX-OAHLLOKOSA-N 304.350 -0.433 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)CNC(=O)c2ccco2)C1 1108379187 VKRODVVDUGEOEH-MRXNPFEDSA-N 319.361 -0.150 30 20 DBED C[C@@H](CNc1cnc(C#N)cn1)NC(=O)[C@@H]1CCN(C)C1=O 1108646443 AVWOGDHSZBGJCY-ONGXEEELSA-N 302.338 -0.257 30 20 DBED C[C@@H](CNc1cnc(C#N)cn1)NC(=O)c1cc(=O)n(C)cn1 1108761000 PDRAREYTBBYHMW-VIFPVBQESA-N 313.321 -0.328 30 20 DBED Cc1nc(N(C)C[C@@H](C)NC(=O)CNC(N)=O)ccc1C#N 1108816321 NREFPPRNNQJGPY-SECBINFHSA-N 304.354 -0.129 30 20 DBED CC(=O)N(C)CC(=O)N[C@@H]1[C@H]2C[C@H]1N(c1ccc(C#N)nn1)C2 1109682412 DNSVFVBNWBPPGO-JVLSTEMRSA-N 314.349 -0.480 30 20 DBED N#Cc1c[nH]ccc1=NC1(CNC(=O)CCn2cnnn2)CC1 1110207041 NVRMDBSEAGWACZ-UHFFFAOYSA-N 312.337 -0.487 30 20 DBED CN1C[C@@H](C(=O)NCC2(Nc3nccnc3C#N)CC2)CC1=O 1110381209 YNDATMIMSUSZIY-JTQLQIEISA-N 314.349 -0.113 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)N(C)C 1110546051 KEWJNFAXOGZAAO-SYQHCUMBSA-N 307.394 -0.166 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@]1(O)CCN(c2ncccn2)C1 1111097634 CYWNSLCPMAIPSY-IUODEOHRSA-N 304.350 -0.428 30 20 DBED Cc1c[nH]nc1C(=O)N(CCO)CCNc1ccc(C#N)nn1 1111463805 QZYBRTQWNQMEAQ-UHFFFAOYSA-N 315.337 -0.074 30 20 DBED COCC(=O)N[C@H](C)C(=O)N[C@]12CCC[C@H]1CN(CC#N)C2 1111759007 VMHMPTIWWZKXER-XUJVJEKNSA-N 308.382 -0.368 30 20 DBED CN(CCCN(C)c1cnc(C#N)cn1)C(=O)Cc1nc[nH]n1 1112121744 BXBGHLRYVCJBEB-UHFFFAOYSA-N 314.353 -0.006 30 20 DBED CNC(=O)CC(=O)N1C[C@H](C)[C@H](Nc2ccc(C#N)nn2)C1 1112308561 IZQQDLYIFNYGDK-GXSJLCMTSA-N 302.338 -0.257 30 20 DBED CC(C)NC(=O)NC(=O)[C@H](C)N1CCN(C(=O)[C@H](C)C#N)CC1 1112718415 JQMDYZVGSWIVEU-NEPJUHHUSA-N 323.397 -0.087 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 1113365556 OWKOKZVNLWEUHG-TUVASFSCSA-N 319.405 -0.164 30 20 DBED C=C(C)CCN1CCN(C(=O)CNS(=O)(=O)N(C)C)CC1 1113391622 MATBLSGMJMNAPQ-UHFFFAOYSA-N 318.443 -0.507 30 20 DBED C[C@@H](CNC(=O)CCn1cncn1)N(C)c1cncc(C#N)n1 1113493195 VTPOJTGWMOXYTA-NSHDSACASA-N 314.353 -0.029 30 20 DBED C=CCO[C@H](C)C(=O)N1CCN([C@@H]2CCC(=O)NC2=O)CC1 1113713288 NVBKIZLPTUPJFT-VXGBXAGGSA-N 309.366 -0.473 30 20 DBED C[C@H](CC(=O)NC[C@@H](C)N(C)c1nccnc1C#N)NC(N)=O 1113720824 UVHBZIITDPDHIG-NXEZZACHSA-N 319.369 -0.264 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)c3ccoc3C)[C@@H]2C1 1113831562 PKDFZXMZHVUYEE-CHWSQXEVSA-N 301.346 -0.003 30 20 DBED C[C@@H](C(=O)NC1CC1)N1C[C@H]2[C@H](NC(=O)CSCC#N)[C@H]2C1 1113899844 VQXNOZDDZDBVNR-PQFRYHKHSA-N 322.434 -0.043 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)Cc3n[nH]c(C)n3)[C@@H]2C1 1114246635 WOBNKGBYNNMBHW-GHMZBOCLSA-N 318.381 -0.996 30 20 DBED C=CCC(CC=C)C(=O)N[C@H]1[C@@H]2CN(CC(=O)NC(N)=O)C[C@@H]21 1114326729 VRFBNZGKHOLGMW-IMRBUKKESA-N 320.393 -0.004 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)CCN3CCOCC3)[C@@H]2C1 1114979974 IGQWTQVUBDLJPD-HUUCEWRRSA-N 321.421 -0.595 30 20 DBED CCNC(=O)CCCC(=O)N[C@H]1[C@@H]2CN(CC#CCOC)C[C@@H]21 1115138569 WJLPGRISJPGKFI-HALDLXJZSA-N 321.421 -0.011 30 20 DBED C[C@@H](CN(C)C(=O)C[C@H]1COC(=O)C1)N=c1cc[nH]c(C#N)n1 1115710783 BOSYRQBTTVYZES-WDEREUQCSA-N 317.349 -0.018 30 20 DBED C=CCn1cc(CNC(=O)C(=O)NC[C@@H]2CCCOC2)nn1 1118173124 NWBPJLBETFVSEE-NSHDSACASA-N 307.354 -0.377 30 20 DBED CCONC(=O)CNC(=O)C(=O)N[C@@H](C)c1cccc(C#N)c1 1119546481 SCHHXYWLGBNOSB-JTQLQIEISA-N 318.333 -0.081 30 20 DBED C[C@H](CN(C)C(=O)c1cn(C)c(O)n1)N=c1cc[nH]c(C#N)n1 1120569181 RHBBTNLOGXKLQJ-SECBINFHSA-N 315.337 -0.218 30 20 DBED CCn1ncc(C(=O)NC[C@H](CO)Nc2ccc(C#N)nn2)n1 1121472530 RZSFBBRWVRMMJS-SNVBAGLBSA-N 316.325 -0.838 30 20 DBED CC(=O)NC(C)(C)C(=O)NC[C@@H](CO)Nc1cncc(C#N)n1 1121776695 DLJAISVCYNSOPJ-NSHDSACASA-N 320.353 -0.848 30 20 DBED N#Cc1nc(=N[C@H](CO)CNC(=O)c2csc(O)n2)cc[nH]1 1122431017 RMTPRJLCNBZNBV-ZETCQYMHSA-N 320.334 -0.865 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)c1cc[n+]([O-])cc1 1123039791 IWRCDIJPZJKHHN-UHFFFAOYSA-N 319.365 -0.598 30 20 DBED C=CCOCCN1C[C@H]2C[C@@H]3CN(C(=O)CC(N)=O)C[C@@]3(C1)O2 1131204514 VNTGGVBTVNWJFJ-XJKCOSOUSA-N 323.393 -0.634 30 20 DBED C#CCNC(=O)CN1C[C@H](NC(=O)Cc2cnoc2)CC[C@H]1C 1132235319 LKZRSYUOWMGDFO-TZMCWYRMSA-N 318.377 -0.064 30 20 DBED Cc1ncc2n1CC[C@@H](C(=O)NCCNCC(=O)NCC#N)C2 1133869975 PELIPFOJFMRIGY-GFCCVEGCSA-N 318.381 -0.901 30 20 DBED N#CCNC(=O)CNCCNC(=O)Cc1csc(C2CC2)n1 1134851225 QOKQEZZJAZJGPI-UHFFFAOYSA-N 321.406 -0.091 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)C1(CN(C)C)CC1 1135299090 UEQRBHIWWOSDQA-ZIAGYGMSSA-N 322.453 -0.050 30 20 DBED C=CCNC(=O)CN1CCC2(C1)CN(C(=O)[C@@H]1COCCO1)C2 1147031499 WJIGONUINPSQQB-ZDUSSCGKSA-N 323.393 -0.762 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)[C@H]1CC[C@@H](C)O1)C2 1148305134 RYCPWYNQTSCMAN-ZIAGYGMSSA-N 319.405 -0.162 30 20 DBED COCC#CCNCCNC(=O)[C@@H](C(C)C)N1CCCC1=O 1153421444 YGIOONBPHSINFG-OAHLLOKOSA-N 309.410 -0.011 30 20 DBED CCN(CCC#N)C(=O)CNCCCNC(=O)c1cncnc1 1156981915 SGHAMPUURLSDER-UHFFFAOYSA-N 318.381 -0.052 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@@H]1CCN(C)C(=O)C1 1161148305 LEMYXCNUYCBULM-GFCCVEGCSA-N 310.398 -0.747 30 20 DBED C=CCNC(=O)CNCCCNC(=O)c1cccn(C)c1=O 1171540082 MPVNRUGSFSJYHY-UHFFFAOYSA-N 306.366 -0.603 30 20 DBED C#CCNC(=O)CN1CCO[C@H]2CCN(C(=O)CCOC)C[C@H]21 1176876294 MOGLOIZDDIKLJD-KGLIPLIRSA-N 323.393 -0.926 30 20 DBED C[C@H](C#N)C(=O)NCCCCCCNCCNS(C)(=O)=O 1178059241 LAXYUKPQQLRMLI-GFCCVEGCSA-N 318.443 -0.039 30 20 DBED C=CCN1CC[C@@H](NCCCCCCNC(=O)C(N)=O)C1=O 1179441055 MQJOHPDSHBZEJC-GFCCVEGCSA-N 310.398 -0.475 30 20 DBED C[C@H]1CCN(CC(=O)N2CC[C@H](NCC(=O)NCC#N)[C@@H]2C)C1 1179539134 PNGJMYRXDWRQPR-IHRRRGAJSA-N 321.425 -0.453 30 20 DBED C=CCOCCN[C@@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)C2)C1 1184058838 QHFUTQRJPYTSLY-QWHCGFSZSA-N 316.423 -0.186 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 1185455782 RRUJGYDPXSLINI-RRFJBIMHSA-N 322.453 -0.099 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)c2cnc(OC)nc2)C1 1186755092 UWNUHHIUYGDKGR-GFCCVEGCSA-N 319.365 -0.409 30 20 DBED COCC#CCN1C[C@@H]2CCN(C(=O)c3cn(C)nn3)[C@@H]2C1 1187762324 BXAZVIQZODEUSV-GXTWGEPZSA-N 303.366 -0.389 30 20 DBED C=CCOCCN(C)[C@H]1CCN(C(=O)CS(C)(=O)=O)C1 1189151654 OFFPMELOZHKYJF-LBPRGKRZSA-N 304.412 -0.234 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2[nH]c(O)nc2C)C1 1190808275 HNDMUBNFUHUBCN-LLVKDONJSA-N 319.365 -0.681 30 20 DBED C#CCCN(C)[C@H]1CCN(C(=O)CCc2nnc(O)nc2O)C1 1191119138 NETCRNLHYOLTQY-NSHDSACASA-N 319.365 -0.229 30 20 DBED Cc1nc([C@@H](C)N2C[C@@H](O)[C@H](NC(=O)CSCC#N)C2)n[nH]1 1191161759 KFNQZBDXHVRKTH-FBIMIBRVSA-N 324.410 -0.408 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)c2coc(C)n2)C1 1192430125 ZKMVNSRRICWYBF-IRUJWGPZSA-N 322.365 -0.551 30 20 DBED C=CCN(C)[C@H]1CCN(C(=O)[C@@H](CCC(N)=O)NC(C)=O)C1 1192887565 FHAIDQRDLPXPIV-QWHCGFSZSA-N 310.398 -0.525 30 20 DBED CC#CCN(C)[C@H]1CCN(C(=O)c2nccnc2C(N)=O)C1 1193914454 KTIFBIZMGWMOCK-NSHDSACASA-N 301.350 -0.255 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)CNC(=O)Nc2ccccc2)C1 1195119404 LKBDJJRBLJNUCE-ZIAGYGMSSA-N 316.361 -0.397 30 20 DBED Cc1ncoc1C(=O)N1CCCN(CC(=O)NCC#N)CC1 1195427161 QFEYLSVMFVPWLV-UHFFFAOYSA-N 305.338 -0.229 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2nncs2)C[C@H]1O 1199318054 JYRQGBLLDUCOEQ-GMTAPVOTSA-N 312.395 -0.210 30 20 DBED C[C@@H](CC(=O)N[C@@H]1CN(CC#N)C[C@H]1O)NC(=O)C1CCCC1 1199489694 LTWXYWKZEQGIMU-IACUBPJLSA-N 322.409 -0.244 30 20 DBED C#CCNC(=O)CC(=O)N1CCC(NCc2cnon2)CC1 1200170863 MUCPSWSDPCFQFO-UHFFFAOYSA-N 305.338 -0.710 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)C(=O)NCC2CC2)CCCO1 1201741046 QLVBBFHTQPMUMQ-CQSZACIVSA-N 307.394 -0.257 30 20 DBED CC#CCNC[C@H]1CN(C(=O)[C@@H]2CN(CC)CCO2)CCCO1 1202109275 OCZGPPLGHCAVOW-HOTGVXAUSA-N 323.437 -0.063 30 20 DBED C#CCCN[C@@H]1C[C@@H](NC(=O)CN2CCOCC2=O)C12CCC2 1203030476 ZBYMHMOLZBEOIW-ZIAGYGMSSA-N 319.405 -0.115 30 20 DBED CC#CCNCC1CCN(C(=O)CN2C(=O)CCC2=O)CC1 1206918500 FNEYKKDHZFRGBR-UHFFFAOYSA-N 305.378 -0.013 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCCN(C(=O)CSCC#N)C1 1207431472 QVPBTROGCCOTBR-OLZOCXBDSA-N 322.434 -0.038 30 20 DBED Cc1cc(C(=O)N2CCC[C@H](NCC(=O)NCC#N)C2)n[nH]1 1207540562 XDPFAVWLYJCLEJ-NSHDSACASA-N 304.354 -0.448 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@H](NCC(=O)NC(C)C)C1 1207870169 RMRQXLWXLXGMGV-ZDUSSCGKSA-N 322.409 -0.769 30 20 DBED C=C(C)CN[C@H]1CCCN(C(=O)CNC(=O)CNC(C)=O)C1 1208439080 NQGYRTDKGKOQRJ-ZDUSSCGKSA-N 310.398 -0.605 30 20 DBED C=CCOCCN[C@H]1CCCN(C(=O)CN2CCNC(=O)C2)C1 1208930882 PBMOYCXWUDBVJM-AWEZNQCLSA-N 324.425 -0.799 30 20 DBED COCC#CCN[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 1209650081 BYJTXTCQVAMVCH-KFWWJZLASA-N 321.421 -0.059 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN([C@H]2CCC(=O)NC2=O)C[C@H]1C 1211420757 PJNKDJRKHNIDTR-UPJWGTAASA-N 323.393 -0.179 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2[C@@H](C1)OCCN2C(=O)C1CCC1 1217172926 XJHLSECNGKQNIR-AEGPPILISA-N 319.405 -0.164 30 20 DBED COCC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cnc(C)[nH]1 1217516976 LRXLORJDJNIDBN-LSDHHAIUSA-N 318.377 -0.107 30 20 DBED C/C=C(/C)C(=O)N[C@@H]1CN(CC(=O)N(CC)CCC#N)C[C@@H]1O 1219434856 PGMRZLRBFQTJHN-RXAFCMNPSA-N 322.409 -0.124 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2oc(C)nc2C)C[C@@H]1O 1219609482 UKBXQYDQOJTRIJ-KGLIPLIRSA-N 321.377 -0.007 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC(NC(=O)[C@@H]2CCCO2)CC1 1225938330 WHQLTKRKQVEKQE-OCCSQVGLSA-N 307.394 -0.116 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC(NC(=O)Cc2nc[nH]n2)CC1 1229984803 BQKGZYBRIFUYKM-LLVKDONJSA-N 318.381 -0.934 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@H]1CN(C)C(=O)COCC=C 1231246125 CZCXXPYIDVGIPV-KBPBESRZSA-N 307.394 -0.140 30 20 DBED C=CCNC(=O)CN1CC[C@H]1CN(C)C(=O)C[C@H]1CCNC1=O 1235283255 WPPVWYGAZHMMRL-OLZOCXBDSA-N 322.409 -0.653 30 20 DBED CC(C)NC(=O)CCNC(=O)C(=O)Nc1cccc(C#N)n1 1261460344 ZXZBTOPQCZUSPL-UHFFFAOYSA-N 303.322 -0.077 30 20 DBED C=CCN(C(=O)c1c[nH]c(C(N)=O)c1)[C@H]1CCS(=O)(=O)C1 1319914226 CFWSOQOKDRFLKB-JTQLQIEISA-N 311.363 -0.071 30 20 DBED CCS(=O)(=O)C[C@@H](C)NC(=O)C(=O)Nc1ccc(C#N)cn1 1324954211 XWYYOUKTPAGAHR-SECBINFHSA-N 324.362 -0.169 30 20 DBED CC#CC[C@H](CO)NC(=O)C(=O)N=c1ccnc2n(C)[nH]cc1-2 1326834820 QSAJSBRNDMUJBO-SNVBAGLBSA-N 315.333 -0.829 30 20 DBED C#CC1CCN(C(=O)C(=O)N[C@H]2CC(=O)N(C(C)C)C2)CC1 1326879187 JLRTZJHKURSGEM-ZDUSSCGKSA-N 305.378 -0.016 30 20 DBED C=CCOCCNC(=O)C(=O)N1CCC[C@H](C(=O)NC2CC2)C1 1327094764 IDEUENXPRQMDRD-LBPRGKRZSA-N 323.393 -0.178 30 20 DBED C=CCn1cc(CNC(=O)NCCN2C(=O)CSC2=O)nn1 1332003332 SUYHNJYYTWLJQG-UHFFFAOYSA-N 324.366 -0.041 30 20 DBED C=CCN(C(=O)[C@@H]1CCNC(=O)C1)[C@H]1CCS(=O)(=O)C1 1340363526 HPPZZAXGZLDDCB-MNOVXSKESA-N 300.380 -0.286 30 20 DBED Cc1cnccc1CCNC(=O)C(=O)N1CC[C@](O)(CC#N)C1 1345867756 IHLSBPMOBAXZQQ-MRXNPFEDSA-N 316.361 -0.074 30 20 DBED C[C@H]1CNCCN1C(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1348617919 QYDDKDIIKSDLNU-WCQYABFASA-N 305.382 -0.995 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)NCc1nn(CC)nc1C 1349416222 KHAZOHHXEIUDMW-GFCCVEGCSA-N 321.381 -0.233 30 20 DBED N#Cc1cn(CC(=O)NCc2ncccc2F)c(=O)nc1O 1362791502 HOAKTEXXGYNAJD-UHFFFAOYSA-N 303.253 -0.329 30 20 DBED Cc1cc(NC(=O)CN2CCN(C(=O)[C@H](C)C#N)CC2)n(C)n1 1364942397 XUKIJOBKFXBHQA-LLVKDONJSA-N 318.381 -0.029 30 20 DBED CCCCS(=O)(=O)NCCn1cc(C#N)c(O)nc1=O 1365443603 CUGWDQNXDHQIDN-UHFFFAOYSA-N 300.340 -0.460 30 20 DBED COCCn1cc(C(=O)NC[C@H](C)CNC(=O)[C@@H](C)C#N)nn1 1375716604 UURGJIOZSJUMQH-MNOVXSKESA-N 322.369 -0.434 30 20 DBED CCN1CCO[C@@H](C(=O)N2CC(CNC(=O)[C@H](C)C#N)C2)C1 1398811260 FOGXKFBDKYHUKH-DGCLKSJQSA-N 308.382 -0.559 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H](O)CNC(=O)[C@H]2CCOC2)c1 1410075394 FNFTZDOYQCTDQR-WDEREUQCSA-N 306.322 -0.870 30 20 DBED CC(C)OC(=O)[C@@H](C)CNC(=O)Cn1cc(C#N)c(O)nc1=O 1412614115 BEPPKBURGCNDMC-VIFPVBQESA-N 322.321 -0.476 30 20 DBED COC(=O)c1cn(C2CN(C(=O)c3ccc(C#N)n3C)C2)nn1 1412814321 RXQBNDMBAFKZKN-UHFFFAOYSA-N 314.305 -0.028 30 20 DBED CCCNC(=O)CNC[C@H](O)CNC(=O)c1cc(C#N)c[nH]1 1420113864 PBPWZQJVDLAKAQ-NSHDSACASA-N 307.354 -0.907 30 20 DBED CCc1noc(CNC[C@@H](O)CNC(=O)c2cc(C#N)c[nH]2)n1 1422272851 MINNAHKVUMWIHA-SNVBAGLBSA-N 318.337 -0.288 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@@H](CNC(=O)[C@H]2CN(C)CCO2)C1 1429072364 MULHZBRLEZJRQE-FVCCEPFGSA-N 308.382 -0.512 30 20 DBED CC(=O)N1CCC[C@@H]1C(=O)N1CC[C@@H](NC(=O)[C@H](C)C#N)C1 1429522908 JRPMRFCKEKCACQ-RAIGVLPGSA-N 306.366 -0.126 30 20 DBED C[C@H](C#N)C(=O)N(CCNC(=O)[C@@H]1CCC(=O)NC1)C1CC1 1429939225 ZVDUEOPCINMGJG-GHMZBOCLSA-N 306.366 -0.221 30 20 DBED C[C@H](CNC(=O)c1cc(C#N)c[nH]1)N[C@H](C)c1nnnn1C 1437119640 GWPAAACBKWFOEO-RKDXNWHRSA-N 302.342 -0.121 30 20 DBED N#Cc1cn(CCC(=O)N2CCC(C#N)CC2)c(=O)nc1O 1442548328 PUDUAANMYQTISF-UHFFFAOYSA-N 301.306 -0.027 30 20 DBED C[C@H](C#N)C(=O)NCCN(C)C(=O)[C@H]1CCCCN1C(N)=O 1449182722 BJEQUAPDRZHMEQ-GHMZBOCLSA-N 309.370 -0.346 30 20 DBED C[C@H](CNC(=O)COCc1ccnn1C)CNC(=O)[C@@H](C)C#N 1451602025 MITOPAKZFZXSFS-NEPJUHHUSA-N 321.381 -0.035 30 20 DBED CCC[C@H](OC)C(=O)NC[C@H](O)CNC(=O)c1cc(C#N)c[nH]1 1452340242 ZIAQZCOKDLHMAO-YPMHNXCESA-N 322.365 -0.092 30 20 DBED CCN(CCC#N)C(=O)CNC[C@@H](C)NC(=O)c1[nH]nnc1C 1483155171 OJJYMYKPTFMFRG-SNVBAGLBSA-N 321.385 -0.417 30 20 DBED N#Cc1ncc(N2CCC(NC(N)=O)CC2)nc1-c1nn[nH]n1 1570919212 PEKHLNVNFVRGKH-UHFFFAOYSA-N 314.313 -0.835 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@H](C)N(CC)C(=O)CNC(=O)O 1573346671 GEDWFJFAQPXXPY-QMTHXVAHSA-N 315.370 -0.066 30 20 DBED C[C@@H](C#N)C(=O)NCC[C@@H](C)N=c1cc[nH]c(-c2nn[nH]n2)n1 1574587738 OPXOBFZTRMTIPF-DTWKUNHWSA-N 315.341 -0.455 30 20 DBED CC#CC[C@H](N)C(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 1574963487 VKWAVNMXQFZCCY-STQMWFEESA-N 313.423 -0.942 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C)[C@@H](C)C(=O)NCc1cnn[nH]1 1575179092 SLZUPKBOVJAKSY-UWVGGRQHSA-N 307.358 -0.983 30 20 DBED C#CCN(CC(=O)O)C(=O)c1cc(S(N)(=O)=O)c(Cl)o1 1588416262 KUKLNAKXHGYJNQ-UHFFFAOYSA-N 320.710 -0.260 30 20 DBED C#Cc1cncc(C(=O)N2CCS(=O)(=O)C[C@@H]2CC(=O)O)c1 1588529449 ZEBGVNBRIFLAHY-LBPRGKRZSA-N 322.342 -0.223 30 20 DBED C=CCOCC(=O)N[C@@H](C)CNc1cncc(-c2nn[nH]n2)n1 1588675497 HEHSDEAJHUQYJC-VIFPVBQESA-N 318.341 -0.224 30 20 DBED CN(CCNC(=O)C#CC1CC1)c1ccc(-c2nn[nH]n2)nn1 1591095799 LAHBLEOFJPABEK-UHFFFAOYSA-N 312.337 -0.378 30 20 DBED C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cc2C(=O)O)CC(=O)N1 1594553925 IITIHKMDOIJFBK-MRVPVSSYSA-N 323.330 -0.235 30 20 DBED N#CCN(CC(=O)O)C(=O)[C@H]1C[C@@H]2CC[C@H](C1)S2(=O)=O 1601069016 DMWMBAGDGZKSDY-OWUUHHOZSA-N 300.336 -0.221 30 20 DBED N#CCN(CC(=O)O)C(=O)CNC(=O)Cc1ccc(O)cc1 1601069039 BJIGWKRAUNMYNG-UHFFFAOYSA-N 305.290 -0.512 30 20 DBED C=CCO[C@H]1CCN(C(=O)C(=O)Nc2c(C(=O)O)cnn2C)C1 1602906215 AGSQLNPBQMUHJB-VIFPVBQESA-N 322.321 -0.140 30 20 DBED C[C@H](CC#N)C(=O)N1C[C@@H](N2C(=O)CNC2=O)C[C@H]1C(=O)O 1604059435 FJLADVBFQQZLEC-VGMNWLOBSA-N 308.294 -0.858 30 20 DBED C[C@@]1(CCC(=O)O)NC(=O)N(CN2CCOC[C@H]2C#N)C1=O 1604573070 YYSGOEQZYDJNIN-RNCFNFMXSA-N 310.310 -0.656 30 20 DBED COc1cc(C(=O)N2CCN(C(=O)C(=O)O)CC2)ccc1C#N 1604686560 KJCIKTPPMPDHDW-UHFFFAOYSA-N 317.301 -0.064 30 20 DBED COC(=O)[C@@H]1CCN(S(=O)(=O)CCCC#N)[C@H](C(=O)O)C1 1606413775 HNEOFUDAEDJTLM-ZJUUUORDSA-N 318.351 -0.042 30 20 DBED N#Cc1ccc(C(=O)N2CCC[C@@H]2C(=O)NCC(=O)O)cn1 1608199179 VYYSGYLEBDXTAB-LLVKDONJSA-N 302.290 -0.241 30 20 DBED O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1c[nH]c(C(=O)O)c1 1610883458 DMKJPYINQRMEGO-ACCUITESSA-N 318.289 -0.031 30 20 DBED CNC(=O)NC(=O)[C@@H](C)N[C@@H](C)CCNC(=O)C#CC1CC1 1714469407 LYTGXFUXKXPGGV-WDEREUQCSA-N 308.382 -0.272 30 20 DBED C=C(C)CN1CCN(CCNC(=O)CN2CCCNC2=O)CC1 1752366833 BISBNBXAQRGBMZ-UHFFFAOYSA-N 323.441 -0.288 30 20 DBED C#CCN[C@H](CNC(=O)[C@@H]1CCc2nnnn2CC1)C1CC1 1752484230 GQFAUJBCLCAPML-CHWSQXEVSA-N 302.382 -0.257 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@H]1C[C@H](N[C@H](C)C(=O)NC(N)=O)C1 1752628506 VPRWSSUXILIXJX-NZHONMPCSA-N 312.370 -0.866 30 20 DBED CC#CCN1CC[C@H](CNC(=O)CCn2ncn(C)c2=O)C1 1753130958 JVRMKPTVFKWFPY-CYBMUJFWSA-N 305.382 -0.567 30 20 DBED COCC#CCNC[C@@](C)(NC(=O)c1ncn(C)n1)C1CC1 1753516513 OREBTBKLOZURBP-OAHLLOKOSA-N 305.382 -0.047 30 20 DBED CC#CCN1CCO[C@H](CNC(=O)Cn2ccc(C)cc2=O)C1 1753653751 GZTKRZXFBIKQKO-OAHLLOKOSA-N 317.389 -0.003 30 20 DBED C=CCNC(=O)CN(C)CCN(C)C(=O)[C@@H](C)n1cncn1 1753851027 PXPBWSPAHAJFMX-GFCCVEGCSA-N 308.386 -0.469 30 20 DBED COCC#CCNC[C@@H](O)CNC(=O)c1ccnn1C(C)C 1753919225 DIOXPBKRFFIBEW-CYBMUJFWSA-N 308.382 -0.206 30 20 DBED C=CCNC(=O)[C@H](C)NCC[C@@H](C)NC(=O)c1cn(C)c(O)n1 1753997460 YWPZIWLSOYEZFE-MNOVXSKESA-N 323.397 -0.086 30 20 DBED COCC#CCNC/C=C\CNC(=O)[C@H]1CCc2nncn2C1 1754210079 QJNUOWGQFMMGCE-SFAKSCPVSA-N 317.393 -0.248 30 20 DBED C#CCNC(=O)CNC[C@H](C)NC(=O)c1ccc(N(C)C)nc1 1754274010 ORCBGKLSTQFACN-LBPRGKRZSA-N 317.393 -0.395 30 20 DBED C#CCN1CCC(C(=O)N[C@@H](C)CN(C)CC(=O)NCC)CC1 1754337653 XOMMHNQANLEEEL-AWEZNQCLSA-N 322.453 -0.096 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@@](C)(NC(=O)c2nc[nH]n2)C1 1754681118 AQGZPMJULDKDTQ-IINYFYTJSA-N 304.354 -0.863 30 20 DBED C#CCN1CC[C@@](O)(CNC(=O)c2cc(O)nc(C3CC3)n2)C1 1754755688 XODZOXMCWVSYSB-MRXNPFEDSA-N 316.361 -0.141 30 20 DBED C=CCCCN1CC[C@](O)(CNC(=O)C[C@@H]2CC(=O)NC2=O)C1 1754763872 HTQGOQNBXWJSTR-WBMJQRKESA-N 323.393 -0.442 30 20 DBED C[C@@H]1CN(C(=O)CSCC#N)C[C@@H]1CNCc1nnn(C)n1 1754814351 YPAZUSXHMJZHDB-MNOVXSKESA-N 323.426 -0.349 30 20 DBED C#CCCN1CCC[C@](CO)(NC(=O)c2cn(C)c(=O)n2C)C1 1754861448 MJCJDIOTLWLKOV-INIZCTEOSA-N 320.393 -0.696 30 20 DBED COCC#CCN1CCOC[C@@H]1CNC(=O)CCc1cnc[nH]1 1754967659 MHPHFDNOKWKVGT-HNNXBMFYSA-N 320.393 -0.191 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCCN(Cc2nnn(C)n2)CC1 1755023486 IXGJHDLEVKIIHO-CYBMUJFWSA-N 320.397 -0.279 30 20 DBED COCC#CCN[C@@H](C)[C@H](C)NC(=O)c1ccc(C(N)=O)cn1 1755271324 ZXDXYSAEMTWLBV-RYUDHWBXSA-N 318.377 -0.073 30 20 DBED N#CCNC(=O)CN1CC(CCO)(NC(=O)CC2CCC2)C1 1755331280 BCPBTMWNKYTDKK-UHFFFAOYSA-N 308.382 -0.631 30 20 DBED C[C@@H]1C[C@H](NCC(=O)NCC#N)CN1C(=O)c1ccns1 1755676143 NTYDUEZBLLNFMW-ZJUUUORDSA-N 307.379 -0.025 30 20 DBED C=CCOCC(=O)N1CCC[C@H]([C@H]2CCN(C(=O)C(N)=O)C2)C1 1755925393 UGMCHRRVZNSGLZ-STQMWFEESA-N 323.393 -0.239 30 20 DBED C#CCCCC(=O)NC1CC(CNC(=O)[C@@H]2COC(=O)N2)C1 1755933672 BWPZCEGLYLIFMA-MCIGGMRASA-N 307.350 -0.091 30 20 DBED C#CCOCCC(=O)N[C@H](C)C1CN(C(=O)CNC(=O)CC)C1 1756141697 HMQYPVGMLRBRBJ-GFCCVEGCSA-N 323.393 -0.484 30 20 DBED C=CCOCC(=O)N1CCO[C@@H]([C@@H](C)NC(=O)COC)C1 1756215734 GQQPZLGCPITOIO-VXGBXAGGSA-N 300.355 -0.433 30 20 DBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)S)C2)C1 1839810665 LEXBQALZZORSQN-FZMZJTMJSA-N 312.391 -0.606 30 20 DBED C/N=C(/NCCn1ccnc1)N1CCS(=O)(=O)C(C)(C)C1 261954278 IHUKFJKGQNEMID-UHFFFAOYSA-N 313.427 -0.033 30 20 DBED C#CCNC(=O)c1ccc(NCC(=O)N2CCOCC2)nc1 271804564 AUMXCKQAXMHMNL-UHFFFAOYSA-N 302.334 -0.285 30 20 DBED C#CCOc1cc(F)ccc1NC(=O)C(=O)N1C[C@@H](O)[C@H](O)C1 277641227 XZYCTQLJDXXZOF-VXGBXAGGSA-N 322.292 -0.660 30 20 DBED CN(CCC(N)=O)C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 290819808 GSOCTRGDBNCVAX-UHFFFAOYSA-N 324.362 -0.830 30 20 DBED N/C(=N/CCOC[C@H]1CCCO1)NCCCN1CCOCC1 304750070 ICHSNYDPFBLQPS-CQSZACIVSA-N 314.430 -0.191 30 20 DBED C[C@@H]1COCCN1CC/N=C(/O)CN1CCCS1(=O)=O 329080136 CLDBBHTZUAPVME-LLVKDONJSA-N 305.400 -0.301 30 20 DBED O=S1(=O)CCCC[C@@H]1C/N=C(/O)NC[C@]1(O)CCOC1 329568537 PMHDVRFESFFLBO-ZYHUDNBSSA-N 306.384 -0.391 30 20 DBED CC/N=C(/O)NC(=O)[C@@H](C)N1CCN(c2nccn2C)CC1 330522301 ONAVGPXRFHJYCD-LLVKDONJSA-N 308.386 -0.019 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CCSC[C@H]1C(N)=O 336951304 UOEFKQVVVUDVAO-VIFPVBQESA-N 306.413 -0.631 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2C[C@@H]2C(F)F)C1=O 345799930 IZJWDEWTOXYGJA-NKWVEPMBSA-N 301.249 -0.267 30 20 DBED CCCN(CC#N)S(=O)(=O)c1cnn(CC(=O)OC)c1 356072512 RDOFKUNFKLEQCH-UHFFFAOYSA-N 300.340 -0.020 30 20 DBED CN(CCC#N)S(=O)(=O)N1CCN(C2CCOCC2)CC1 408302508 ZWTNOJAYRQGODF-UHFFFAOYSA-N 316.427 -0.127 30 20 DBED COC(=O)Cn1cc(S(=O)(=O)N(C)C(C)(C)C#N)cn1 437923157 QFWHGHZVXAYDMK-UHFFFAOYSA-N 300.340 -0.021 30 20 DBED C=C[C@@H]1OCC[C@H]1NC(=O)NCCS(=O)(=O)NC(C)C 454430707 IMKYFKYZUQYBMR-MNOVXSKESA-N 305.400 -0.043 30 20 DBED C=CC[C@H](CO)CNC(=O)N[C@@H](CC)CNS(C)(=O)=O 458993941 WKYQCTAZGLFKGN-QWRGUYRKSA-N 307.416 -0.202 30 20 DBED C#CCN1CCN(C(=O)CN[C@@H](C)[C@H](C)C(=O)OCC)CC1 491192533 PRHAXTPHUCWKBL-KBPBESRZSA-N 309.410 -0.059 30 20 DBED C#CCN1CCN(S(=O)(=O)c2cnn3c2OCCC3)CC1 491524803 NVGLRKFEGSYAAD-UHFFFAOYSA-N 310.379 -0.395 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)NC1CN(C(=O)OC)C1 495713276 WSSLXUONLJDSSF-VIFPVBQESA-N 304.372 -0.247 30 20 DBED C=C[C@@H]1OCC[C@H]1NC(=O)c1nc(N)nc(N2CCOCC2)n1 571291886 WBZLWFMJXOZCIA-ZJUUUORDSA-N 320.353 -0.636 30 20 DBED N#Cc1cccc(S(=O)(=O)NCC(=O)NCCCC(N)=O)c1 574084512 QTJWFZJNNSNRQC-UHFFFAOYSA-N 324.362 -0.782 30 20 DBED C[C@@H]1[C@H](O)CCN1C(=O)CNS(=O)(=O)c1cccc(C#N)c1 591085037 MHOSBINNHCIDJF-ZWNOBZJWSA-N 323.374 -0.182 30 20 DBED C[C@H](C(=O)N1CCOC[C@@H]1C#N)n1cnc2c(N)ncnc21 597300156 XHBPOXRCJDKBDW-BDAKNGLRSA-N 301.310 -0.280 30 20 DBED CS(=O)(=O)N[C@@H]1CCCN(S(=O)(=O)CC2(C#N)CC2)C1 613261713 IFAWJKGHFLCGMN-SNVBAGLBSA-N 321.424 -0.366 30 20 DBED CC#CC[C@@H](CO)NC(=O)NCCC(=O)N1CCN(C)CC1 645159683 JHWMTYBAYXIUNQ-ZDUSSCGKSA-N 310.398 -0.776 30 20 DBED C=CCn1cc(C(=O)N2CCN(C(C)(C)C(N)=O)CC2)nn1 648802722 GKJCVQUBTBJFEY-UHFFFAOYSA-N 306.370 -0.514 30 20 DBED CC#CC[C@H](CO)NC(=O)c1nnn(-c2ccn(C)n2)c1C 649180745 LLQIQCISSKVYOU-LLVKDONJSA-N 302.338 -0.187 30 20 DBED C=CCN(Cc1nc2c(=O)n(C)c(=O)n(C)c2[nH]1)[C@@H](C)COC 661240706 QMGSXEOBGSNPSG-JTQLQIEISA-N 321.381 -0.017 30 20 DBED C#CCNC(=O)COC(=O)Cc1cccc(NS(C)(=O)=O)c1 730340011 WPWOUQWIZBLDGU-UHFFFAOYSA-N 324.358 -0.107 30 20 DBED C#Cc1cccc(NC(=O)C(=O)NCCN2C(=O)CNC2=O)c1 733668018 ANEYHXXPPKIMLG-UHFFFAOYSA-N 314.301 -0.726 30 20 DBED N#CC1(C(=O)NCCS(=O)(=O)N2CCOCC2)CCC1 736009676 XWPXPAHGMJDMAW-UHFFFAOYSA-N 301.368 -0.542 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)C(=O)c1cnn(C)c1 748428639 FTCCZMQSBRHMLY-QMMMGPOBSA-N 308.294 -0.454 30 20 DBED CNC(=O)CNC(=S)NN=C(CO)c1ccc(F)cc1F 749607885 DKWATSWSEBGXIF-UHFFFAOYSA-N 316.333 -0.129 30 20 DBED CCN(C[C@H](C)C#N)C(=O)COC(=O)CN(C)C(=O)COC 758800010 YYDCCFKSVQAZEU-LLVKDONJSA-N 313.354 -0.357 30 20 DBED COCC#CCOC(=O)CCn1cc(S(N)(=O)=O)cn1 762804526 BKOAVSAJDWIIMC-UHFFFAOYSA-N 301.324 -0.886 30 20 DBED C[C@@H](OC(=O)CNS(=O)(=O)c1ccccc1C#N)C(N)=O 769202028 CLLOYHCGXZIFFD-MRVPVSSYSA-N 311.319 -0.746 30 20 DBED COc1ncnc(N)c1C=NNCC(C)(C)S(C)(=O)=O 774484082 OBVWZHUXBBXAMH-UHFFFAOYSA-N 301.372 -0.186 30 20 DBED C=CCNc1ncc(C(=O)NCCN2CCNC(=O)C2)s1 781433504 IYIORHUXOAYNJR-UHFFFAOYSA-N 309.395 -0.097 30 20 DBED C#CCOc1ccc(F)cc1NC(=O)C(=O)N(C)C[C@H](O)CO 785116790 SSEYNFUTSKGCNY-NSHDSACASA-N 324.308 -0.412 30 20 DBED C=C(CO)C(=O)N1CCC(CNC(=O)c2cnn(C)c2)CC1 791342552 HTJHMTBEFBJIAG-UHFFFAOYSA-N 306.366 -0.063 30 20 DBED C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)N(C)C)CC1)C(C)C 798551999 DSQZQUOZABAOMU-GFCCVEGCSA-N 316.427 -0.222 30 20 DBED N#CCCCCNC(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 804057246 VXIQSNPBQTWSJE-STQMWFEESA-N 308.382 -0.224 30 20 DBED CN(C(=O)COC(=O)CCN1C(=O)CCC1=O)C(C)(C)C#N 805124509 OREAHASEQVHGAR-UHFFFAOYSA-N 309.322 -0.171 30 20 DBED N#Cc1c(N2CC[C@H](CO)[C@@H](O)C2)cccc1S(N)(=O)=O 811837781 DJLCRDKVIMRVND-SKDRFNHKSA-N 311.363 -0.615 30 20 DBED C#CCONC(=O)CNS(=O)(=O)c1c(F)cccc1F 812782257 UXWYCRQOLZUNEQ-UHFFFAOYSA-N 304.274 -0.076 30 20 DBED C[C@@H](OC(=O)[C@](C)(C#N)CC(=O)O)C(=O)NC(=O)NC1CC1 820161044 LTZHLMKXAXZJCZ-UHLUBPPHSA-N 311.294 -0.089 30 20 DBED CN(CCCN)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 832781547 ISTYWQKULTZNMY-UHFFFAOYSA-N 324.406 -0.078 30 20 DBED CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)N[C@H]1CNC[C@H]1C#N 834480973 YOWNKIQHHLDHPZ-KXUCPTDWSA-N 302.400 -0.822 30 20 DBED C=C[C@H](C)ONC(=O)NCCS(=O)(=O)N1CCOCC1 845642354 PKUSTXSVVRCCPD-JTQLQIEISA-N 307.372 -0.546 30 20 DBED C#C[C@@H](NC(=O)CCN1C(=O)CCNC1=S)[C@@H]1CCCO1 847758807 OPBDSIDTCWCLKT-MNOVXSKESA-N 309.391 -0.220 30 20 DBED CC1=C(C(=O)N2CC[C@](O)(CC#N)C2)[C@@H](C)n2nnnc2N1C 848237657 IUAZTNWKCRLIPO-QMTHXVAHSA-N 317.353 -0.165 30 20 DBED C#CCN1CCC[C@H](NC(=O)NC[C@H]2CC[C@H](C(N)=O)O2)C1 884218986 DNUMEOIZZAJRKX-YNEHKIRRSA-N 308.382 -0.584 30 20 DBED C#CC[C@@H](CO)NC(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O 920631928 OPSQCHCBLCCDFL-NWDGAFQWSA-N 319.365 -0.401 30 20 DBED C#CCN1CCC[C@@H](NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 923566129 KPZQROVNHMWAFV-GFCCVEGCSA-N 318.333 -0.030 30 20 DBED C#CCN1CCC(NC(=O)[C@@H]2CCc3nnnn3CC2)CC1 928650059 XGSOMSFUPUPLMJ-GFCCVEGCSA-N 302.382 -0.161 30 20 DBED C#CCN1CCC(NC(=O)[C@H]2CCc3nnnn3CC2)CC1 928650061 XGSOMSFUPUPLMJ-LBPRGKRZSA-N 302.382 -0.161 30 20 DBED C#CC1(O)CCN(CC(=O)N2CCN(C(=O)OCC)CC2)CC1 931143834 LHUYZFUPZZACPQ-UHFFFAOYSA-N 323.393 -0.253 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CCN(C(=O)[C@@H]3COC(=O)N3)C2)c1 939930264 RCTHLPFJBXZPPB-KOLCDFICSA-N 317.305 -0.675 30 20 DBED O=C1C[C@H](C(=O)N[C@@H]2CCN(C(=O)C#CC3CC3)C2)CCN1 939994619 NIYPVAUVAZKCCE-CHWSQXEVSA-N 303.362 -0.357 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CC)C[C@H]1OC 942516757 SYKZSWPQOUPROO-HZSPNIEDSA-N 307.394 -0.164 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@@H]3[C@@H](CCN3C(=O)C(N)=O)C2)[nH]1 945933683 ZBHZBEKNMPFTAE-JOYOIKCWSA-N 315.333 -0.565 30 20 DBED CCN1CCO[C@H](C(=O)NC2CCN(C(=O)[C@@H](C)C#N)CC2)C1 948102561 OTTMWIHCPITRSW-JSGCOSHPSA-N 322.409 -0.026 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2CCCN(C(=O)CC(N)=O)C2)cn1 950262011 GSVHBFXIABNEDC-ZDUSSCGKSA-N 314.345 -0.341 30 20 DBED C#Cc1cncc(C(=O)N2CCN(Cc3nnn(C)n3)CC2)c1 950406803 JSQCFCLOTNRSHH-UHFFFAOYSA-N 311.349 -0.456 30 20 DBED C[C@H](C#N)C(=O)N1CCC(N(C)C(=O)Cn2cnnn2)CC1 953744631 LMKJXUWLIUGGQD-SNVBAGLBSA-N 305.342 -0.718 30 20 DBED CC(=O)N1CC[C@H](C(=O)N(C)C2CN(C(=O)[C@H](C)C#N)C2)C1 955004499 WIXIZBKVPYMKOS-PWSUYJOCSA-N 306.366 -0.316 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](NC(=O)c2nccnc2N)[C@H](C)C1 958367942 GGSVCFZTJVSPQA-IVZWLZJFSA-N 302.338 -0.205 30 20 DBED C=CCCN1C[C@@H](O)[C@@H](CNC(=O)c2cccc(=O)n2C)C1 958394327 CQGJXFFJDZJWAC-GXTWGEPZSA-N 305.378 -0.016 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@@H](CNC(=O)c2cn(C)c(=O)n2C)C1 958736627 SKYKAAGRXZTEIT-GXTWGEPZSA-N 322.409 -0.288 30 20 DBED CN(C(=O)CN1CCNC(=O)C1)C1CCC(NCC#N)CC1 963787960 KHYYWTVXQZLBRF-UHFFFAOYSA-N 307.398 -0.699 30 20 DBED C#Cc1cncc(C(=O)N[C@H]2CN(C(=O)C(N)=O)C[C@@H]2C)c1 966754645 OBTFNQBOCZIPHO-CABZTGNLSA-N 300.318 -0.875 30 20 DBED C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C1 968680767 DHDMDPLLUISFNV-MNOVXSKESA-N 306.370 -0.610 30 20 DBED C[C@@H](NC(=O)c1cc(C#N)c[nH]1)C1CN([C@@H]2CCNC2=O)C1 969463191 LBKVBJQVJXRXCJ-NOZJJQNGSA-N 301.350 -0.175 30 20 DBED C=C(C)CN[C@@H]1CCN(C(=O)[C@H]2CCN(C)S2(=O)=O)C1 970240142 WKFZJYSFEDAHOS-VXGBXAGGSA-N 301.412 -0.213 30 20 DBED Cc1ccoc1CC(=O)N[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1O 970377137 JWONIVHMCIVQHN-UTUOFQBUSA-N 305.334 -0.022 30 20 DBED C#CCN(C)[C@H]1CCN(C(=O)[C@H](Cn2cccn2)N(C)C)C1 971676169 CKNZCFAZHYPYEO-GJZGRUSLSA-N 303.410 -0.021 30 20 DBED C=CCN1CCO[C@]2(CCN(C(=O)[C@@H]3CC(=O)N(C)C3)C2)C1 972410916 XBKNCEXZIGXCQY-CZUORRHYSA-N 307.394 -0.046 30 20 DBED N#CCN1C[C@H]2[C@H](CNC(=O)c3ccc(S(N)(=O)=O)o3)[C@H]2C1 978432788 WNFODZFKQCXFGQ-OWUUHHOZSA-N 324.362 -0.642 30 20 DBED C#CCN1C[C@H]2[C@H](CNC(=O)c3cc(=O)c(OC)c[nH]3)[C@H]2C1 978474308 XVQQZHUKMSYGNA-CNDDSTCGSA-N 301.346 -0.076 30 20 DBED N#CCN1C[C@H]2[C@H](CNC(=O)c3cnn4c(=O)cc[nH]c34)[C@H]2C1 978833226 PEWDZJXOZGJSBF-WLLOZRIZSA-N 312.333 -0.546 30 20 DBED C[C@@]12CN(CC#N)C[C@]1(C)CN(C(=O)C1CC(=O)NC(=O)C1)C2 982645112 ABYQLDWJCHGOEO-IYBDPMFKSA-N 318.377 -0.267 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2C[C@H](CN[C@@H]3CCNC3=O)C2)[nH]1 983494785 BFDBECHQTQIWFA-YUSALJHKSA-N 301.350 -0.127 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)c3nnn(C)n3)C[C@@H]2C1 986523197 PPVDREFJAIFGKT-AXFHLTTASA-N 317.353 -0.710 30 20 DBED CN1CCC[C@@H]1C(=O)NC1CN(C(=O)c2cc(C#N)c[nH]2)C1 990507053 CVLHKQIFANKFSV-CYBMUJFWSA-N 301.350 -0.079 30 20 DBED CN1CCO[C@H](C(=O)NC2CN(C(=O)c3cc(C#N)c[nH]3)C2)C1 990615985 FHJKCIXMFBIGAI-ZDUSSCGKSA-N 317.349 -0.842 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@H](NC(=O)c2cnnn2C)[C@@H](O)C1 991445621 YROOWPGRYYSLPS-JQWIXIFHSA-N 321.381 -0.281 30 20 DBED C#CCN1CCC[C@@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)[C@@H]1C 993911877 BVNOMOOLJOSZMV-WDEREUQCSA-N 320.349 -0.991 30 20 DBED C[C@@H](C(=O)NC1CN(C(=O)C#CC2CC2)C1)N1CCOCC1 995262671 CQFYCXDIBJZJMD-LBPRGKRZSA-N 305.378 -0.553 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](NCC(=O)N2CCOCC2)C(C)(C)C1 995580645 LHGIOCBGZONYPE-OLZOCXBDSA-N 322.409 -0.169 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)C[C@@H]2CCCS2(=O)=O)C1 996549214 DBZDPGQKARRTLX-ONGXEEELSA-N 313.379 -0.560 30 20 DBED C#CCCN1CC[C@H](n2cc(CNC(=O)c3cnon3)nn2)C1 1000031785 AGHLRSIGEVOMGA-LBPRGKRZSA-N 315.337 -0.139 30 20 DBED C#CCN[C@H]1CCCN(C(=O)c2cc(=O)n3[nH]cnc3n2)C1 1000694389 LGYUGXFQTPNZCO-JTQLQIEISA-N 300.322 -0.755 30 20 DBED C=CCN1CC=C(CNC(=O)c2cn(C)c(=O)n(C)c2=O)CC1 1001218164 AYDOBFRTYFDBBP-UHFFFAOYSA-N 318.377 -0.368 30 20 DBED C[C@@]12CN(C(=O)C#CC3CC3)C[C@]1(C)CN(C(=O)C(N)=O)C2 1010976601 DWWXRXKFURKYNS-IYBDPMFKSA-N 303.362 -0.418 30 20 DBED C[C@@H](C#N)C(=O)N1CC=C(CNC(=O)[C@H]2C[C@H]2C(N)=O)CC1 1017737385 AIHBDZYDNYEEAA-WCQGTBRESA-N 304.350 -0.458 30 20 DBED CC#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CC(=O)NC(=O)N1 1018007116 HYOXBOMJGDAKAN-TUAOUCFPSA-N 304.350 -0.717 30 20 DBED C#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CN(C(C)=O)CCO1 1018226533 KMXSMFSXOVZGPA-ZNMIVQPWSA-N 305.378 -0.458 30 20 DBED C#CCCN1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1COCCN1C(C)=O 1018290752 AWGPUYAPKZKYLJ-OWCLPIDISA-N 319.405 -0.068 30 20 DBED C#CCN[C@H]1CCN(C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 1018838989 JVLRXDBAJHKYPS-NEPJUHHUSA-N 301.350 -0.414 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(C1)CN(C(=O)[C@@H]1CCC(=O)N1C)C2 1019291050 GVJJKPHXYIFCSL-RYUDHWBXSA-N 318.377 -0.172 30 20 DBED Cc1ncc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2O)n1C 1025216827 UCWCUADDAIMALU-MKPLZMMCSA-N 305.338 -0.810 30 20 DBED C#CCN1CC(NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 1030718193 OYEFYTKKMOAOMD-CABCVRRESA-N 307.394 -0.700 30 20 DBED C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)Cn1cnc(C(N)=O)n1 1032412126 JQTZYXZCIGVKMM-QWRGUYRKSA-N 304.354 -0.762 30 20 DBED C=CCn1cc(C(=O)N(CC)[C@@H]2CCN([C@@H](C)C(N)=O)C2)nn1 1033980164 QBQZJDAMZQFNIZ-NWDGAFQWSA-N 320.397 -0.126 30 20 DBED C=CCN1CCCC[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C1 1034232900 YYBVABGMJGQACT-CYBMUJFWSA-N 320.393 -0.296 30 20 DBED C#CCCN1CCO[C@@H](CNC(=O)c2ccc3nnnn3c2)C1 1035444756 ZGJUMDFIHVQNNX-ZDUSSCGKSA-N 314.349 -0.422 30 20 DBED C#CCN[C@@H]1CCN(C(=O)CN2CCC(=O)NC2=O)C[C@H]1CC 1037945014 BRUVAMQBSFKLMU-CHWSQXEVSA-N 320.393 -0.222 30 20 DBED N#Cc1cccc(CN2CC[C@@H]2CNC(=O)[C@H]2CNC(=O)N2)c1 1038653392 WVROODAHYFQSMN-ZIAGYGMSSA-N 313.361 -0.070 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2CCN2[C@@H]2CCCNC2=O)nn1 1038791322 OXESLVOVLHWSFR-WCQYABFASA-N 318.381 -0.453 30 20 DBED C#CCOCCC(=O)NC[C@@]1(O)CCN(C(=O)[C@H](C)C#N)C1 1039718666 FXSCPJOGBYFBJY-DOMZBBRYSA-N 307.350 -0.734 30 20 DBED CCc1nc(C#N)cc(N2C[C@@H]3CCN(C(=O)C(N)=O)[C@@H]3C2)n1 1040795367 WBBRCZOTLOETEL-GXSJLCMTSA-N 314.349 -0.567 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)Cn2cccn2)C1 1041467303 XCSXLNLCHQCVDI-UHFFFAOYSA-N 304.350 -0.624 30 20 DBED CO[C@@H](C)CC(=O)N1CC(O)(CNC(=O)CSCC#N)C1 1041569184 QRMOACYHSKIGCX-JTQLQIEISA-N 315.395 -0.642 30 20 DBED CC[C@@H](F)C(=O)N1CC(O)(CNC(=O)c2c[nH]c(C#N)c2)C1 1042672267 KDTYGAWWFARLRA-LLVKDONJSA-N 308.313 -0.062 30 20 DBED C=CCCCC(=O)N1CC(O)(CNC(=O)C2CN(C(C)=O)C2)C1 1042783702 BMCBNBMISABLLD-UHFFFAOYSA-N 323.393 -0.490 30 20 DBED C[C@@]1(C(=O)N[C@@H]2CN(c3cncc(C#N)n3)C[C@@H]2O)CCOC1 1044144340 HSXYOHGMUFCTBR-TYNCELHUSA-N 317.349 -0.559 30 20 DBED C=CCCO[C@H](C)C(=O)N1CC(O)(CNC(=O)[C@@H](C)C#N)C1 1045541634 ZQWDSGAKIXJGLM-NWDGAFQWSA-N 309.366 -0.183 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@H](C)C#N)C1 1045560142 SXZWDBQNFLSDTQ-UPJWGTAASA-N 321.377 -0.183 30 20 DBED CN(C(=O)[C@H]1CCc2cncn2C1)[C@H]1CN(CC#N)C[C@@H]1O 1047435736 NWQNIPABVFTIPU-UBHSHLNASA-N 303.366 -0.527 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC(=O)N2)C1 1048547713 MPZKPTUIXZSAOW-AGIUHOORSA-N 321.377 -0.901 30 20 DBED C=CCOCC(=O)N1CC[C@@H]([C@@H](C)NC(=O)CNC(C)=O)C1 1050296711 HVPFICWWVICHSQ-DGCLKSJQSA-N 311.382 -0.322 30 20 DBED N#CCN1CCOC[C@H]1CNC(=O)c1cn2cccnc2n1 1050999904 DNZDADMYEBUGPP-LLVKDONJSA-N 300.322 -0.317 30 20 DBED C=CCN1CCOC[C@H]1CNC(=O)[C@@H]1CCCS(=O)(=O)C1 1051143632 HYVRYNMNQYFXJJ-CHWSQXEVSA-N 316.423 -0.186 30 20 DBED C#CCCN1CCOC[C@@H]1CNC(=O)[C@H]1CCCC(=O)N1C 1051228981 STHRILGKJCYSDZ-UONOGXRCSA-N 307.394 -0.162 30 20 DBED Cn1ncc(C(=O)NCC2CC(N=c3cc[nH]c(C#N)n3)C2)n1 1051964608 YCIGIDVRUIDGOX-UHFFFAOYSA-N 312.337 -0.481 30 20 DBED C[C@H](CC(=O)N1CCOC2(CN(CC#N)C2)C1)N1CCCC1=O 1053506502 IIGASNREEMRFOU-CYBMUJFWSA-N 320.393 -0.176 30 20 DBED CC#CCN1CC2(CC[C@H](CNC(=O)c3cnn(C)n3)O2)C1 1053678955 QAFKEJTWVOQHET-GFCCVEGCSA-N 303.366 -0.198 30 20 DBED C=CCCN1CC2(C[C@H](NC(=O)Cn3ncn(C)c3=O)CO2)C1 1053851948 DGJCTKSJTODYFZ-LBPRGKRZSA-N 321.381 -0.883 30 20 DBED C=CCCN1CC2(C[C@H](NC(=O)CN3CC(=O)NC3=O)CO2)C1 1053959163 TUTLWWPDBCMQON-NSHDSACASA-N 322.365 -0.926 30 20 DBED N#Cc1cncc(N2CCN(C(=O)CO[C@H]3CCOC3)CC2)n1 1055910836 KAKCCHBVVASVGY-ZDUSSCGKSA-N 317.349 -0.198 30 20 DBED C=CCn1cc(C(=O)N[C@@]2(CO)CCCN(C(C)=O)C2)nn1 1055950398 AMMIQPOOEGDVHW-AWEZNQCLSA-N 307.354 -0.433 30 20 DBED N#Cc1cccnc1N1C[C@H]2C(NC(=O)[C@@H]3COCCO3)[C@@H]2C1 1056135416 PGDJWQMTABZDGM-UPJWGTAASA-N 314.345 -0.081 30 20 DBED N#Cc1ccc(N2C[C@@H]3C(NC(=O)c4c[nH]c(=O)cn4)[C@H]3C2)cn1 1056389268 KTMDAQKOSGTUMP-RYUDHWBXSA-N 322.328 -0.099 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]2[C@@H]1CCCN2C(=O)CCNC(N)=O 1056400350 SHRPLHIWTDQZQO-WOPDTQHZSA-N 321.381 -0.204 30 20 DBED N#Cc1nc(=N[C@@H]2CCN(C(=O)c3ccc(O)nn3)C2)cc[nH]1 1056564009 UUZDIDSLNLNHRY-SECBINFHSA-N 311.305 -0.408 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)c1ccnn1C 1057193916 URGSEXLYQSSJSR-UHFFFAOYSA-N 310.354 -0.827 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCN(CCO)C(=O)c1ccn(C)c1 1057342592 IJADGROPHLYFAD-MRXNPFEDSA-N 323.393 -0.097 30 20 DBED Cc1cc(C(=O)NCCN(CCO)C(=O)C#CC2CC2)ncn1 1057531183 IBJMTRQDHAXANH-UHFFFAOYSA-N 316.361 -0.251 30 20 DBED C[C@@H]1C[C@H](C(=O)NCCN(CCO)C(=O)C#CC2CC2)CO1 1057535430 AEHLUOMBPPMDLN-OCCSQVGLSA-N 308.378 -0.238 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)[C@@H](C)Cc1cnc[nH]1 1057710859 BJWKBZCLYJCBKG-RYUDHWBXSA-N 321.381 -0.315 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)[C@H]1CCN(C)C1=O 1058451458 UQOSDPFRNMYOIM-ZDUSSCGKSA-N 323.393 -0.939 30 20 DBED COc1cc(C(=O)NCCN(CCO)C(=O)[C@H](C)C#N)on1 1058652584 ASRSSMSFPNAVAU-SECBINFHSA-N 310.310 -0.606 30 20 DBED Cc1ccnn1CC(=O)N1CC[C@H](N=c2cc[nH]c(C#N)n2)C1 1059084424 SNVCCFNRNVOQQX-LBPRGKRZSA-N 311.349 -0.012 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@@H](CCNC(=O)C(N)=O)C2)c1 1059428423 WLHYPKPFCXARPD-SECBINFHSA-N 303.322 -0.660 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)c1ncccc1O 1061847256 JVHQIPAORIUHFV-GHMZBOCLSA-N 318.333 -0.096 30 20 DBED C#CCO[C@H](C)C(=O)NC1(CNC(=O)c2cnnn2C)CCC1 1062900867 HNWHVXFABPVHCF-LLVKDONJSA-N 319.365 -0.378 30 20 DBED CCn1ncc(C(=O)N[C@@H]2[C@H]3C[C@H]2N(c2cnc(C#N)cn2)C3)n1 1064246648 TWWDSFPQVOCSEL-MRCXROJRSA-N 324.348 -0.033 30 20 DBED C#CCCCC(=O)N1CCO[C@H](CNC(=O)Cc2nc[nH]n2)C1 1065095244 GOZYJWDVADGKPP-GFCCVEGCSA-N 319.365 -0.506 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)[C@@]2(C)CCNC2=O)CCO1 1065620369 IUPQFXWDILTVQY-WBMJQRKESA-N 323.393 -0.178 30 20 DBED C=CCOCCCC(=O)N1CCC[C@H](NC(=O)C(N)=O)CC1 1066470982 UCCLJUVWZHUXDY-LBPRGKRZSA-N 311.382 -0.048 30 20 DBED N#Cc1cccnc1N1C[C@@H](O)[C@@H](CNC(=O)c2cncnc2)C1 1067664645 FSLQZTXAAIKRBA-UONOGXRCSA-N 324.344 -0.030 30 20 DBED C=CCCC(=O)N1CCOC2(C1)CN(C(=O)[C@H]1CNC(=O)N1)C2 1068345868 AKRILLCACSQWIV-LLVKDONJSA-N 322.365 -0.926 30 20 DBED C#CCNC(=O)CC(=O)N1CC2(C[C@@H](NC(=O)CC)CO2)C1 1068642341 SABHONPRUKJZDZ-LLVKDONJSA-N 307.350 -0.978 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC2(C[C@H](NC(=O)COC)CO2)C1 1068656467 PDGRDZLYLXEHLD-RYUDHWBXSA-N 310.350 -0.843 30 20 DBED CN(C(=O)[C@@H]1COC(=O)N1)C1CC(Nc2cnc(C#N)cn2)C1 1069736149 YFRDLOJDEPNUIK-RFBVYIQQSA-N 316.321 -0.142 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2cc(C)n(C)n2)C1 1069900707 REOKGZOVZNFEGN-KGLIPLIRSA-N 313.365 -0.391 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)Cc2nc[nH]n2)CCOCC1 1070232664 OKNSZIJJKLUVCC-SNVBAGLBSA-N 320.353 -0.712 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)Cn4cccn4)C[C@@]3(C1)O2 1070758428 BFGLFUSEDVYXMT-SQWLQELKSA-N 300.362 -0.182 30 20 DBED C#CCCN1CC[C@@]2(C1)CN(C(=O)C1(C(N)=O)CC1)C[C@H](C)O2 1071205237 ZWTNCJUEFPVKHD-XJKSGUPXSA-N 319.405 -0.033 30 20 DBED Cn1c(C(=O)N2CC[C@@H]3OCCN(CC#N)[C@H]3C2)cnc1O 1074311904 DXMKWWNBXVGJAR-RYUDHWBXSA-N 305.338 -0.435 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H]3OCCN(CCO)[C@@H]3C2)nn1 1074354634 SZKMGIVIDFWKRM-ZIAGYGMSSA-N 321.381 -0.628 30 20 DBED C=C1CC(C)(C(=O)NCC2(O)CCN(C(=O)C(N)=O)CC2)C1 1074702338 XOHQVBBYBGXRQS-UHFFFAOYSA-N 309.366 -0.702 30 20 DBED C=CCOCC(=O)N1CC[C@H](NC(=O)Cn2ncnn2)C[C@@H]1C 1075004865 VWVBMJNYGDKIDZ-RYUDHWBXSA-N 322.369 -0.629 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC[C@H](C)NC(=O)CN(C)C(C)=O 1076300218 BQQIKCDWTHPPGC-XHDPSFHLSA-N 313.398 -0.197 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H](C)CCNC(=O)Cc1n[nH]c(C)n1 1076435509 UTKZOIPZXBIPHP-BONVTDFDSA-N 323.397 -0.006 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)Cc2cn3c(n2)CCCC3)C1 1077034233 ONANZPSPZZHXTM-HUUCEWRRSA-N 316.405 -0.054 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)c2cn(-c3cccnc3)nn2)C1 1077102829 WIRJFZIZBJLLJR-TZMCWYRMSA-N 314.349 -0.377 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3nnc(O)n3C2)C1 1077256036 YPHCCRVYHDACMR-IJLUTSLNSA-N 321.381 -0.717 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H](C)CCNC(=O)CCn1cnnn1 1078025341 ISGQWYJCSSPABH-RYUDHWBXSA-N 322.369 -0.888 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H](O)[C@H](CNC(=O)CCC=C)C1 1081336164 UUWDXOXUBMCJRO-OLZOCXBDSA-N 321.377 -0.972 30 20 DBED C=C(C)CCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)Cn2cncn2)C1 1081789292 WMTIJBGWFQQQJV-QWHCGFSZSA-N 321.381 -0.430 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1ccc2nc(O)[nH]c2n1 1082069458 KHFOCJCROOMQEH-GHMZBOCLSA-N 316.321 -0.384 30 20 DBED CC#CCN1C[C@@H](NC(=O)[C@@H]2CCCCC(=O)N2)[C@H](OC)C1 1082123108 UWIJPRBJASEEOU-BFHYXJOUSA-N 307.394 -0.116 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1nnn(C)c1C 1083033065 BWAFHFRTCUTULM-QWHCGFSZSA-N 303.366 -0.328 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)c2ncccc2NC(C)=O)C1 1083512026 VEBZLZBCOSCMRX-KGLIPLIRSA-N 316.361 -0.162 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)[C@H]2COCCN2C2CCCC2)C1 1083723072 UBCZVHBSTMLGHC-KFWWJZLASA-N 322.409 -0.685 30 20 DBED C#CCOc1ccc(C(=O)N[C@@H]2CN(C[C@H](C)O)C[C@@H]2O)cc1 1083842561 SDQWBTXFXXUYNY-MAZHCROVSA-N 318.373 -0.146 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2n[nH]c3c2C[C@H](C)CC3)C1 1083904834 CEQMOCARFFBQBV-HONMWMINSA-N 302.378 -0.057 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)C2CCC(NC(C)=O)CC2)C1 1084121690 QFGBDXVTZVFJEK-CVSAEHQPSA-N 307.394 -0.524 30 20 DBED C#CCCN1CC[C@H]1CN(C)C(=O)c1cn(C)c(=O)n(C)c1=O 1085850005 LTRBPKZMBUEZHD-LBPRGKRZSA-N 318.377 -0.746 30 20 DBED C=C(C)CN[C@H]1C[C@@H](CNC(=O)[C@@H]2CCS(=O)(=O)N2)C1 1086274465 ILNSWTRUQJLRAK-TUAOUCFPSA-N 301.412 -0.261 30 20 DBED CC[C@@H]1[C@@H](NC(=O)c2nccnc2C(N)=O)CCN1CC#N 1087822857 NPPLBRAUUHHFNU-VHSXEESVSA-N 302.338 -0.318 30 20 DBED CC1(C)C[C@H](NC(=O)CN2C(=O)CNC2=O)CCN(CC#N)C1 1089556322 PRSLICDBRJPAMB-LLVKDONJSA-N 321.381 -0.331 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@H]2CCC(=O)N2)CC2(CCOCC2)C1 1089931028 QWHJSMBZJFZGKI-UONOGXRCSA-N 319.405 -0.115 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2cn(C)c(C)cc2=O)[C@@H](O)C1 1090341978 MPVPWZSSNPCFBX-ZBFHGGJFSA-N 317.389 -0.118 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2ccnn2CCOC)[C@H](O)C1 1090348841 GIAVUOMGNFMUFB-DZGCQCFKSA-N 320.393 -0.282 30 20 DBED COc1nc(C)cc(N2C[C@@H](O)[C@H](NC(=O)[C@H](C)C#N)C2)n1 1090403857 CNDJFVJWPARIOB-FBIMIBRVSA-N 305.338 -0.381 30 20 DBED C=C(Cl)CN1CC[C@@H](NC(=O)c2nnn(C)n2)[C@@H](O)C1 1090495422 HFAYMDPOWQORDO-BDAKNGLRSA-N 300.750 -0.872 30 20 DBED N#CCN1CC[C@H](NC(=O)c2cccn3c(O)nnc23)[C@H](O)C1 1090720715 BOQLFAQFZNYRHO-WDEREUQCSA-N 316.321 -0.877 30 20 DBED N#CCN1CC[C@H](NC(=O)c2ccc(NC(N)=O)cc2)[C@H](O)C1 1090783256 LCWIZJCQDXFFJF-QWHCGFSZSA-N 317.349 -0.134 30 20 DBED CCNC(=O)CCC(=O)N1CCN(c2nccnc2C#N)CC1 1093139047 KZMWAUMERHRWGB-UHFFFAOYSA-N 316.365 -0.087 30 20 DBED N#Cc1cncc(N2C[C@H]3[C@H](NC(=O)CCn4ccnn4)[C@H]3C2)n1 1093261457 VPPBBMCVOAFMJS-JYAVWHMHSA-N 324.348 -0.419 30 20 DBED CN(C)C(=O)CC(=O)NC1[C@H]2CN(c3ccc(C#N)nn3)C[C@H]12 1093358064 NPDDLZHLNIAWMA-QWRGUYRKSA-N 314.349 -0.623 30 20 DBED N#Cc1cncc(NCCNC(=O)c2ccc(C(N)=O)cn2)n1 1093704645 BWPPTTRRUWHFBT-UHFFFAOYSA-N 311.305 -0.316 30 20 DBED CC(C)(C(=O)NCCNc1cncc(C#N)n1)S(C)(=O)=O 1093863462 NZNDDOOZLULZMO-UHFFFAOYSA-N 311.367 -0.300 30 20 DBED Cc1nocc1C(=O)N1CCN(CC#N)[C@H]2CS(=O)(=O)C[C@H]21 1094656630 DVMYDMGXTJGTLS-NWDGAFQWSA-N 324.362 -0.570 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)[C@@H]3CCCN3C)CC2=O)C1 1094714113 PLTJSTJSYOAKFH-JSGCOSHPSA-N 304.394 -0.885 30 20 DBED CC(=O)N[C@@H](C)C(=O)N1CC[C@@H](Nc2nccnc2C#N)C1 1095009885 NIYFMSYLUXTIGB-GXSJLCMTSA-N 302.338 -0.114 30 20 DBED CNC(=O)NCC(=O)N1CC[C@H](N(C)c2ccc(C#N)cn2)C1 1095157473 SSQSBMUJDKEEKB-LBPRGKRZSA-N 316.365 -0.081 30 20 DBED CN(CCCNC(=O)[C@H]1COCCO1)c1cnc(C#N)cn1 1095490027 OENXIFOMFDZULB-GFCCVEGCSA-N 305.338 -0.294 30 20 DBED C[C@H](C(=O)N[C@@H]1CCN(c2cnc(C#N)cn2)C1)S(C)(=O)=O 1096502547 QTUCUKNXUHCOKM-NXEZZACHSA-N 323.378 -0.524 30 20 DBED N#Cc1cnc(N[C@H](CNC(=O)CNC(N)=O)C2CC2)cn1 1096565879 OBODSQLPJGNBEO-SNVBAGLBSA-N 303.326 -0.677 30 20 DBED C[C@@H](CNC(=O)CCn1ccnn1)Nc1cncc(C#N)n1 1097779483 KPMPLYJFGGOZQF-JTQLQIEISA-N 300.326 -0.053 30 20 DBED C[C@H](CNC(=O)[C@H]1CN(C)C(=O)N1)Nc1ccc(C#N)nc1 1098213996 UIAYAIZIGCEWMK-BXKDBHETSA-N 302.338 -0.107 30 20 DBED C[C@@H](CNC(=O)[C@H]1OCCO[C@H]1C)N=c1cc[nH]c(C#N)n1 1098359918 RBEHWCLZVQUFGQ-KWBADKCTSA-N 305.338 -0.509 30 20 DBED C#CCNCc1cn([C@H]2CCN(C(=O)Cn3cccn3)C2)nn1 1098611932 VTSLWQNSFSCKTN-AWEZNQCLSA-N 313.365 -0.329 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@@H](C)N=c1cc[nH]c(C#N)n1 1098985062 RDWQUZPNUXRXEG-LLVKDONJSA-N 314.349 -0.784 30 20 DBED C[C@H](CCNC(=O)[C@H]1CCCNC1=O)N=c1cc[nH]c(C#N)n1 1099580584 WYZFSYFNIVHPMZ-MNOVXSKESA-N 316.365 -0.397 30 20 DBED C=CCCN1CC[C@H](NC(=O)CCn2ncn(C)c2=O)[C@@H](O)C1 1099934726 BLIZIQQQNTVRRC-STQMWFEESA-N 323.397 -0.901 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)C(=O)NCC(F)(F)F)[C@H](O)C1 1100053020 IOJIHRAOWYUYAA-NXEZZACHSA-N 323.315 -0.208 30 20 DBED CC(C)(CS(C)(=O)=O)C(=O)N[C@H]1CCN(CC#N)C[C@H]1O 1100136598 PIAFNKWEVARLNQ-WDEREUQCSA-N 317.411 -0.868 30 20 DBED CN(CCNC(=O)C1CS(=O)(=O)C1)c1ncccc1C#N 1100164929 DLPVCDUGRJGUNM-UHFFFAOYSA-N 308.363 -0.450 30 20 DBED C#CCNC1CC(CNC(=O)Cc2c(C)nc(O)nc2O)C1 1100783508 LGAQUDROTNBDKI-UHFFFAOYSA-N 304.350 -0.144 30 20 DBED C[C@H](CC(N)=O)C(=O)NC[C@H]1CCCN1c1cncc(C#N)n1 1100886530 KWSARAVNRLXRNR-ZYHUDNBSSA-N 316.365 -0.055 30 20 DBED CN(CCN=c1cc[nH]cc1C#N)C(=O)[C@]1(C)CCNC1=O 1101959284 NQHMVQVWYURXHW-OAHLLOKOSA-N 301.350 -0.228 30 20 DBED CC[C@H](CNC(=O)[C@H]1COC(=O)N1)Nc1cncc(C#N)n1 1103053302 RDKJLCKJTOVLSE-PSASIEDQSA-N 304.310 -0.237 30 20 DBED COCC#CCN1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CNC(=O)N2)C1 1103383908 PUDLXXGSFRLOMQ-MCIONIFRSA-N 322.409 -0.608 30 20 DBED Cc1cc(C#N)nc(N[C@@H](CNC(=O)CNC(N)=O)C(C)C)n1 1105106419 UQXYMMHBYQARMQ-NSHDSACASA-N 319.369 -0.122 30 20 DBED CC(C)[C@H](CNC(=O)c1nnn(C)n1)Nc1nccnc1C#N 1105265887 GZHFEEKCNNSBGY-JTQLQIEISA-N 315.341 -0.262 30 20 DBED CCc1cc(C(=O)NC[C@@H](O)CNc2cnc(C#N)cn2)n[nH]1 1105777526 ATDZMASULONYQF-NSHDSACASA-N 315.337 -0.163 30 20 DBED Cc1cc(=NC[C@H](O)CNC(=O)c2ccnn2C)c(C#N)c[nH]1 1105779787 JPASTGKXEZLAJY-LBPRGKRZSA-N 314.349 -0.380 30 20 DBED Cc1cc(=NC[C@H](O)CNC(=O)c2cn(C)cn2)c(C#N)c[nH]1 1105791557 AMNYBKYXSPLJNQ-LBPRGKRZSA-N 314.349 -0.380 30 20 DBED C[C@@H]1CN(C(=O)[C@@H]2CCOC2)C[C@H]1CNCC(=O)NCC#N 1105910746 XGMUHUDETHQATQ-JHJVBQTASA-N 308.382 -0.653 30 20 DBED COC[C@H](C)CC(=O)NC[C@H](O)CN=c1cc[nH]cc1C#N 1105940413 AHYOFAJMXIXBLT-DGCLKSJQSA-N 306.366 -0.063 30 20 DBED N#Cc1nc(=NC/C=C\CNC(=O)CN2CCCC2=O)cc[nH]1 1107027287 NCCYBQGQSMWAHG-UPHRSURJSA-N 314.349 -0.523 30 20 DBED N#CCN1CC(n2cc(CNC(=O)Cc3cncnc3)nn2)C1 1107164973 NLGBRRLIXYXHJG-UHFFFAOYSA-N 312.337 -0.693 30 20 DBED N#CCN1CC[C@@]2(CNC(=O)CN3CC(=O)NC3=O)CCC[C@@H]12 1107581856 OYJJEGWFDJMTPH-IAQYHMDHSA-N 319.365 -0.577 30 20 DBED C#CCNC(=O)CN1CCO[C@](C)(CNC(=O)C(F)F)C1 1107670642 HTDXIKWGVQVKHO-CYBMUJFWSA-N 303.309 -0.792 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)c1cn(C)c(=O)n1C 1107798528 MZHPETSNTOFKIK-SECBINFHSA-N 315.337 -0.962 30 20 DBED C[C@H](CNc1cncc(C#N)n1)NC(=O)[C@H]1CCS(=O)(=O)C1 1108000974 JEUWPOFKVMUMLO-ZJUUUORDSA-N 323.378 -0.300 30 20 DBED CCc1nc(C#N)cc(NC[C@H](C)NC(=O)Cn2cnnn2)n1 1108247681 YJQKTGAHPQASTK-VIFPVBQESA-N 315.341 -0.486 30 20 DBED C[C@@H](CNc1cnc(C#N)cn1)NC(=O)[C@@H]1CCCS1(=O)=O 1108405476 DPQVGXRGQWSPSK-ONGXEEELSA-N 323.378 -0.158 30 20 DBED CC#CCN1CCO[C@](C)(CNC(=O)[C@H](C)N2CCOCC2)C1 1108446696 GZAHCIWQAIALPK-DOTOQJQBSA-N 323.437 -0.063 30 20 DBED COC(=O)NCC(=O)N[C@@H]1[C@H]2C[C@H]1N(c1ccnc(C#N)n1)C2 1109685022 ZVYPVDKSZCTOLR-IGJMFERPSA-N 316.321 -0.602 30 20 DBED CNC(=O)NCC(=O)N[C@@H]1[C@H]2C[C@H]1N(c1ccncc1C#N)C2 1109743100 JJFIDEXIHUHFQJ-MRCXROJRSA-N 314.349 -0.424 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H](NC(=O)[C@H]1COC(=O)N1)C1CC1 1109832385 FRFKPMMLFILLLM-QWHCGFSZSA-N 315.333 -0.210 30 20 DBED C[C@H](C#N)C(=O)NC[C@@]1(O)CCN(c2ncnc3[nH]cnc23)C1 1111042242 RFEBXHNDNQCAOL-OTYXRUKQSA-N 315.337 -0.430 30 20 DBED N#Cc1cncc(N2CC[C@@](O)(CNC(=O)c3ccon3)C2)n1 1111052433 RCDFABJGKAABSZ-CQSZACIVSA-N 314.305 -0.293 30 20 DBED CCCOCC(=O)N(CCO)CCN=c1cc[nH]c(C#N)n1 1111445905 RZXFTBGYACHAES-UHFFFAOYSA-N 307.354 -0.570 30 20 DBED CO[C@H](C)CC(=O)N1CCO[C@@H](CN=c2cc[nH]c(C#N)n2)C1 1111937164 HKBSOOFKPLKZIQ-NEPJUHHUSA-N 319.365 -0.166 30 20 DBED C=CCNC(=O)NC(=O)CN1CCN(C(=O)C(C)(F)F)CC1 1112595991 BCKHBRXTFDMNPH-UHFFFAOYSA-N 318.324 -0.202 30 20 DBED CCOCC(=O)NC[C@H]1CN(c2ccc(C#N)cn2)C[C@H]1O 1112692347 LZWOMRQFGUMTLL-QWHCGFSZSA-N 304.350 -0.097 30 20 DBED C[C@H](CNC(=O)[C@@]1(C)CNC(=O)C1)N(C)c1cnc(C#N)cn1 1113783264 DESMMYIQFGPVIJ-MEBBXXQBSA-N 316.365 -0.185 30 20 DBED CC(C)OCCC(=O)NC1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]12 1113903659 BEZOGOHOQXQUGY-VXGBXAGGSA-N 308.382 -0.512 30 20 DBED N#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@H]3C[C@@H]3C(F)F)[C@H]2C1 1114220563 SYKMPOUTHHCSQQ-OFKSJOQMSA-N 312.320 -0.426 30 20 DBED Cc1nc(N2C[C@H]3[C@H](CNC(=O)CC(N)=O)[C@H]3C2)ccc1C#N 1114546948 MXLMHGBJXRGOHZ-XYYAHUGASA-N 313.361 -0.065 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)Cc3cscn3)[C@H]2C1 1114933178 QSAOKHJSGPGUDN-JYAVWHMHSA-N 318.402 -0.519 30 20 DBED C#CCCN1C[C@@H]2C(NC(=O)CCC(=O)N3CCOCC3)[C@H]2C1 1115208645 HJYWKWMMHYJONR-KBPBESRZSA-N 319.405 -0.305 30 20 DBED C#CCN1C[C@@H]2C(NC(=O)CNC(=O)NCc3ccco3)[C@H]2C1 1115288036 KGFAILCDKVHVOM-STQMWFEESA-N 316.361 -0.242 30 20 DBED C=CCCOCC(=O)N[C@H]1[C@@H]2CN([C@@H]3CCCNC3=O)C[C@@H]21 1115326796 SZVITVQWTMOXSH-COMQUAJESA-N 307.394 -0.096 30 20 DBED N#CCCCCN[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 1116345742 GGRWSSJTKAZTSS-CHWSQXEVSA-N 301.412 -0.232 30 20 DBED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(CC(N)=O)cc1 1116495810 GFQHIUJHOYXRPL-UHFFFAOYSA-N 318.333 -0.929 30 20 DBED COc1cc(NC(=O)C(=O)NCCn2cnc(C#N)n2)ccn1 1117461583 KBKFDWVZISGOSV-UHFFFAOYSA-N 315.293 -0.692 30 20 DBED C[C@H](CO)CCCNC(=O)C(=O)N1CCN(CCC#N)CC1 1119227348 ILDPTGDQMXDMSD-ZDUSSCGKSA-N 310.398 -0.431 30 20 DBED C#CCOCCNC(=O)C(=O)NCCNc1cccc(C)n1 1119808437 UHSIMVZUXCZFOX-UHFFFAOYSA-N 304.350 -0.316 30 20 DBED N#Cc1nc(=N[C@H](CO)CNC(=O)COCC2CC2)cc[nH]1 1121092455 NYJWAGJJHGOEQD-NSHDSACASA-N 305.338 -0.914 30 20 DBED COC(=O)NCC(=O)NC[C@H](CO)Nc1cccc(F)c1C#N 1121112780 FKSARUBAEYJSGR-SECBINFHSA-N 324.312 -0.058 30 20 DBED N#Cc1cnc(N[C@H](CO)CNC(=O)[C@H]2COCCO2)c(F)c1 1121142706 GTPBNXMZCKQLFX-CMPLNLGQSA-N 324.312 -0.603 30 20 DBED Cn1nccc1C(=O)NC[C@H](CO)Nc1nccnc1C#N 1121177138 GGBFEQPMSVQDNQ-SECBINFHSA-N 301.310 -0.715 30 20 DBED Cc1nnc(CC(=O)NC[C@@H](CO)Nc2ccc(C#N)nn2)o1 1121433598 XPHLWLORKZUUDI-JTQLQIEISA-N 317.309 -0.829 30 20 DBED C[C@]1(C(=O)NC[C@@H](CO)N=c2cc[nH]cc2C#N)CCOC1 1121913928 HZLIOSBERZCLIB-WFASDCNBSA-N 304.350 -0.309 30 20 DBED COC(=O)c1cnc(NC[C@@H](O)CN(C)C(=O)[C@@H](C)C#N)nc1 1124190168 DQQDJUOASRBQDN-GXSJLCMTSA-N 321.337 -0.346 30 20 DBED CN(C[C@H](O)CNc1nc(C#N)c(Cl)s1)C(=O)C(N)=O 1124703753 GGZFUGMXLYUKFX-RXMQYKEDSA-N 317.758 -0.615 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)C[C@@H](C)SC 1125872587 KRZWLOXBSKDYSY-SNVBAGLBSA-N 316.427 -0.154 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1ccn(C(F)F)n1 1128227709 BWFZMVNBEWVGKB-SECBINFHSA-N 313.308 -0.265 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)CCNC(=O)NC)C1 1128962008 MHVUNGWKUBWQKZ-NEPJUHHUSA-N 321.385 -0.875 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(CCCO)C[C@@H]1n1ccnn1 1128976370 RVMMBSKVLJOOEL-KGLIPLIRSA-N 321.381 -0.958 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cnc2[nH]c(C)nc2c1 1129112218 IZJIAWFYKVZKFH-UHFFFAOYSA-N 314.349 -0.665 30 20 DBED CC#CCN[C@@H]1CN(C(=O)c2c[nH]nc2C)C[C@@H]1n1ccnn1 1129952314 OMJSKIYZLFISED-KGLIPLIRSA-N 313.365 -0.012 30 20 DBED C=CCN[C@@H]1CN(C(=O)[C@@H](C)OCCOC)C[C@@H]1n1ccnn1 1130026240 IAAWLJUDCLAZOL-MCIONIFRSA-N 323.397 -0.143 30 20 DBED CO[C@H](C)C(=O)NCc1nc([C@H]2CCO[C@H]2CNCC#N)n[nH]1 1130187803 KCHPQGSLTHPPNF-VWYCJHECSA-N 322.369 -0.559 30 20 DBED C=CCN1C[C@H]2C[C@H]3CN(C(=O)CC(=O)N(C)C)C[C@@]3(C1)O2 1131274298 UIKVUOPHXILFOX-WOSRLPQWSA-N 307.394 -0.048 30 20 DBED Cc1cc(C(=O)N[C@H]2CC[C@H](C)N(CC(=O)NCC#N)C2)n[nH]1 1131861828 PTPRHUZIVPSOHT-RYUDHWBXSA-N 318.381 -0.059 30 20 DBED C=CCOCCNCCNC(=O)[C@H]1C[C@H](OC)CN1C(C)=O 1131905339 MIXKDTLXVFVIMW-UONOGXRCSA-N 313.398 -0.469 30 20 DBED C=C(C)CN(CC)C(=O)CNCCNC(=O)[C@H]1CC[C@@H]1C(N)=O 1132339055 YYHBZIBPDDQYRO-STQMWFEESA-N 324.425 -0.372 30 20 DBED C[C@H](C[C@@H](C)NC(=O)c1cnsn1)NCC(=O)NCC#N 1133779199 LWYQKVMPGILMAH-RKDXNWHRSA-N 310.383 -0.336 30 20 DBED C=CCOCCN1CCC2(C1)CN(C(=O)CS(C)(=O)=O)C2 1147083367 ZWHPTNRGFGLOCQ-UHFFFAOYSA-N 316.423 -0.232 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)Cc1ccnn1C 1157236515 FEKWJXSLZUQTPD-LBPRGKRZSA-N 307.398 -0.251 30 20 DBED C#CCCN(C)C[C@H]1CCCCN1C(=O)Cn1ncn(C)c1=O 1158164383 IQSGLVDMLMOGIY-CQSZACIVSA-N 319.409 -0.082 30 20 DBED CNC(=O)NC(=O)[C@@H](C)NCC1(CCNC(=O)[C@@H](C)C#N)CC1 1163840718 JNMYTVZLNKKXML-WDEREUQCSA-N 323.397 -0.134 30 20 DBED C#CCNC(=O)CNCC1(CCNC(=O)c2nc(C)c[nH]2)CC1 1167420368 ZSWDBLPJWJAEBN-UHFFFAOYSA-N 317.393 -0.043 30 20 DBED C=C(C)CCNCCCNC(=O)CNC(=O)Cn1cncn1 1176893926 JIJXQRJXNUZRKN-UHFFFAOYSA-N 308.386 -0.544 30 20 DBED C=CCCC(=O)N1CC[C@@H]2OCCN(CC(=O)NC(N)=O)[C@@H]2C1 1176955807 ZOBITUOERARCNS-NEPJUHHUSA-N 324.381 -0.551 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)C3(C(=O)NC)CC3)C[C@H]21 1177113122 PCNANNUVQKSAQD-CHWSQXEVSA-N 305.378 -0.553 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)CN(C)C(C)=O)[C@H]1C 1178162525 CHDKLTYWQLWQIM-OBJOEFQTSA-N 322.409 -0.818 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@H](NCC(=O)NCC#N)[C@@H]1C 1178679139 ZRFBDXPWTDQTJZ-XQQFMLRXSA-N 306.366 -0.757 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)C[C@H]2CCN(C)C2)[C@H]1C 1179925550 QLBIUULUKVHCBZ-ZNMIVQPWSA-N 320.437 -0.343 30 20 DBED C#CCNC(=O)CNC[C@H]1CCN(C(=O)c2nc[nH]n2)C[C@@H]1C 1185326452 GPRIIQMEXZFQOK-NWDGAFQWSA-N 318.381 -0.758 30 20 DBED C[C@H]1CN(C(=O)Cn2c(O)nnc2O)CC[C@@H]1CNCC#N 1185576247 ZQPRVAXNUOBBQQ-VHSXEESVSA-N 308.342 -0.713 30 20 DBED C[C@H](c1nncn1C)N1C[C@@H](O)[C@H](NC(=O)CSCC#N)C1 1191162393 UKSHANNCLUTPBW-GMTAPVOTSA-N 324.410 -0.706 30 20 DBED CO[C@H](C(=O)N1CC[C@@H](N(C)CC(=O)NCC#N)C1)C1CCC1 1191586860 OWMSKNJWFWKSNE-HIFRSBDPSA-N 322.409 -0.026 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C2[C@@H]3CCCC[C@@H]23)C1 1192030011 XLQRTNQHRSCPJX-AAVRWANBSA-N 319.405 -0.667 30 20 DBED CC#CCN(C)[C@@H]1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)C1 1192632848 SYWROIQRRRNHNP-GFCCVEGCSA-N 318.377 -0.746 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2ncc(C)o2)C[C@H]1O 1192885574 AFXVQBIVLGTRHW-CHWSQXEVSA-N 307.350 -0.316 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)COCc2ccnc(OC)c2)C1 1194117999 CEPAOBYIYXVITN-ZIAGYGMSSA-N 319.361 -0.599 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)c2ccnc(OC)c2)C1 1194321335 SGBDISBRSIPWEF-ZIAGYGMSSA-N 319.361 -0.485 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@H](NC(C)=O)C2CCCC2)C1 1194544349 GBIKKWURMUYHRL-BZUAXINKSA-N 321.421 -0.134 30 20 DBED C=CCOCCN1CCCN(C(=O)CN2CCNC(=O)C2)CC1 1196724337 HEHWKXBEFQQKKC-UHFFFAOYSA-N 324.425 -0.845 30 20 DBED CC(C)[C@H](NS(C)(=O)=O)C(=O)N1CCCN(CC#N)CC1 1197378586 BYGRXEGQFUVSJM-LBPRGKRZSA-N 316.427 -0.382 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)N[C@@H]1CN(CCC)C[C@H]1O 1199095764 KNVOUCHHVRUSIS-VXGBXAGGSA-N 312.414 -0.179 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)[C@H]2CCC(=O)N2)CC1 1199758391 GAPROACVFZCACQ-GFCCVEGCSA-N 308.382 -0.852 30 20 DBED C[C@@H](C#N)C(=O)N1CCCO[C@H](CNCC(=O)NCC2CC2)C1 1200115864 PACKZMGMROTJEY-GXTWGEPZSA-N 322.409 -0.121 30 20 DBED C=C(Cl)CNC[C@@H]1CN(C(=O)Cn2ncnn2)CCCO1 1200519471 GAARJSSDAWTPQH-LLVKDONJSA-N 314.777 -0.367 30 20 DBED Cn1nccc1COCC(=O)N1CCCO[C@@H](CNCC#N)C1 1200786842 JRUHTXZDICVKKV-AWEZNQCLSA-N 321.381 -0.333 30 20 DBED C#CCNC[C@H]1CN(C(=O)[C@@H]2CN(C(C)C)CCO2)CCCO1 1201245240 DXINPAOSGRYTLM-HOTGVXAUSA-N 323.437 -0.064 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)[C@H]2C[C@]23CCOC3)CC1 1203228050 CXPJCNYGTHGJCP-PBHICJAKSA-N 319.405 -0.257 30 20 DBED COCC#CCNC1CCN(C(=O)[C@@H]2CCCN2C(N)=O)CC1 1204101259 YBRMDKBSOKKYKX-AWEZNQCLSA-N 322.409 -0.240 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)[C@H]2CC[C@@H](C)O2)[C@H](C)C1 1208747989 XZOYLAYPDRTXBF-AAVRWANBSA-N 307.394 -0.260 30 20 DBED CO[C@@H]1CN(Cc2ccc(C#N)s2)C[C@H]1NC(=O)CC(N)=O 1212069293 SVBMQKHWBBQDGX-VXGBXAGGSA-N 322.390 -0.189 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(Cc2ccon2)C[C@H]1OC 1212141569 ZGJGENJNWIECPY-CHWSQXEVSA-N 320.349 -0.871 30 20 DBED CCN1C[C@H](C(=O)N2C[C@@H](NCC#CCOC)[C@H](C)C2)CC1=O 1214760097 QVZQFEWVMYUAOX-RBSFLKMASA-N 321.421 -0.059 30 20 DBED C#CCCN[C@@H]1CN(C(=O)Cn2ccc(O)nc2=O)C[C@H]1C 1215080600 RBOAIROAFRBYMP-VXGBXAGGSA-N 304.350 -0.591 30 20 DBED C#CCO[C@H](C)C(=O)NCC1CCN(CC(=O)NCC)CC1 1223182466 FEMPNYCDTBDHMU-CYBMUJFWSA-N 309.410 -0.011 30 20 DBED C#CCNC(=O)CC(=O)NC1CCN(CCn2cccn2)CC1 1226962042 YAWPNRDQXRYPRE-UHFFFAOYSA-N 317.393 -0.397 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)[C@@H]2[C@H]3COC[C@H]32)CC1 1228712613 XEOZRKGKTRXDPA-NHAGDIPZSA-N 307.394 -0.238 30 20 DBED C#CCCN[C@@H]1CCCC[C@H]1NC(=O)CN1CC(=O)NC1=O 1229180942 PBVYOJDMFXSOAA-VXGBXAGGSA-N 306.366 -0.422 30 20 DBED CCNC(=O)NC(=O)CN1CC[C@@H]1CN(C)C(=O)[C@@H](C)C#N 1231246958 JEUDHAVCIWVJIA-WDEREUQCSA-N 309.370 -0.476 30 20 DBED C=CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)c1ncn(C)n1 1234069724 WRLFEZSRERUYHL-LLVKDONJSA-N 306.370 -0.736 30 20 DBED C#C[C@@H](NC(=O)C(=O)Nc1cnn(CC(N)=O)c1)C(C)(C)C 1261098031 AEXPCYXRAZJPRL-SNVBAGLBSA-N 305.338 -0.529 30 20 DBED C=C(C)COCCNC(=O)C(=O)NC[C@@]1(OC)CCOC1 1261164511 TWHBJQYZWYUVCR-AWEZNQCLSA-N 300.355 -0.383 30 20 DBED C=CCn1c(CNS(=O)(=O)CC)nnc1N(C)CCOC 1262989723 CWTWTMDVAVJGER-UHFFFAOYSA-N 317.415 -0.014 30 20 DBED C#CCN1CCN(c2nnc([C@H](C)CO)n2CCOC)CC1 1263262046 WYWDNGZFPXGGSN-CYBMUJFWSA-N 307.398 -0.225 30 20 DBED COCC#CCN[C@H]1CCN(C(=O)c2cc(C(N)=O)c[nH]2)C1 1317307560 ZTIVEYHQVJMDEI-LBPRGKRZSA-N 304.350 -0.433 30 20 DBED C#C[C@@H](NC(=O)C(=O)Nc1cccc(C(N)=O)n1)[C@@H]1CCCO1 1320691829 SVXMTZSIHKPXGG-KOLCDFICSA-N 316.317 -0.584 30 20 DBED N#CCN1CCC(NC(=O)C(=O)NCCn2cccn2)CC1 1322343116 QRAYLMKMZJPFIE-UHFFFAOYSA-N 304.354 -0.897 30 20 DBED COC(=O)N1CC(NC(=O)C(=O)NCC#Cc2ccccc2)C1 1322987318 CYCMMWJQKAVDOG-UHFFFAOYSA-N 315.329 -0.279 30 20 DBED N#C[C@]1(F)CCN(C(=O)C(=O)NCc2nnnn2C2CC2)C1 1324002657 ZJYYFMBPKNTVCQ-GFCCVEGCSA-N 307.289 -0.912 30 20 DBED C#C[C@@H](NC(=O)C(=O)Nc1cccn(C)c1=O)[C@H]1CCCO1 1325764127 YMDDMQGQEOCGPY-ZYHUDNBSSA-N 303.318 -0.379 30 20 DBED C=CCN(CC=C)C(=O)C(=O)NC1CC(NS(C)(=O)=O)C1 1326475855 UGOBIGSAZZQBMF-UHFFFAOYSA-N 315.395 -0.617 30 20 DBED CC[C@]1(CO)CCCN1C(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1327024593 OGSXCETZSQEZHK-CABCVRRESA-N 309.366 -0.373 30 20 DBED C#CCCCNC(=O)C(=O)NCc1nnnn1-c1ccccc1 1328144622 HAFYFOWYARXVCH-UHFFFAOYSA-N 312.333 -0.192 30 20 DBED C#C[C@@H](NC(=O)C(=O)N(C)Cc1nc(C)no1)[C@@H]1CCCO1 1329999873 HYDPXFIUQWVYJH-MNOVXSKESA-N 306.322 -0.367 30 20 DBED C#CC1CCN(c2nnnn2CCN2CCCS2(=O)=O)CC1 1334048053 BSUCNWZOFBAASW-UHFFFAOYSA-N 324.410 -0.442 30 20 DBED CO[C@@H](C)CCC(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1 1346065239 POSSWQFUYJGTTK-QWRGUYRKSA-N 316.379 -0.233 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N1CC[C@H](C2OCCO2)C1 1351528896 IQWANIZMRSVMNF-QWHCGFSZSA-N 324.377 -0.248 30 20 DBED COCCN(CCC#N)S(=O)(=O)N(C)Cc1ccn(C)n1 1364062010 MVHHQCXDVDDIDT-UHFFFAOYSA-N 315.399 -0.041 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)[C@H]2C[C@H]2C(N)=O)CCCC1 1375312966 AJNFMNIDJGGINR-AXFHLTTASA-N 306.366 -0.187 30 20 DBED Cn1nncc1C(=O)NC[C@H](O)CNCc1ccccc1C#N 1379200511 TWTBVAJAFKPHTG-CYBMUJFWSA-N 314.349 -0.433 30 20 DBED C[C@@H](C#N)C(=O)NC1CCN(C(=O)c2c[nH]c(=O)cn2)CC1 1385457994 ZQESCCDHQBLOEP-VIFPVBQESA-N 303.322 -0.350 30 20 DBED C[C@H](CNC(=O)c1ccc(C#N)[nH]1)NC(=O)CS(C)(=O)=O 1386719447 JEDZIVPPUAHXJT-MRVPVSSYSA-N 312.351 -0.835 30 20 DBED CCN(C(=O)CCNC(=O)NC)[C@H]1CCN(C(=O)[C@@H](C)C#N)C1 1390110964 NYLFFNKWYMSYAT-RYUDHWBXSA-N 323.397 -0.085 30 20 DBED CN(CCNC(=O)c1cc(C#N)c[nH]1)CCNS(C)(=O)=O 1390747947 YDTINUNHMVFVKB-UHFFFAOYSA-N 313.383 -0.903 30 20 DBED CCCN(CCNC(=O)[C@@H](C)C#N)C(=O)CS(=O)(=O)CC 1398269382 JNMPDYWKCQLHQS-NSHDSACASA-N 317.411 -0.064 30 20 DBED CNC(=O)NCC(=O)N1CCC([C@H](C)NC(=O)[C@H](C)C#N)CC1 1398414323 XKJMDEZSEXQSCB-MNOVXSKESA-N 323.397 -0.182 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H](O)CNC(=O)Cc2ccco2)c1 1399822661 OALRPRZEWYSXQT-LLVKDONJSA-N 316.317 -0.071 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1cc2cnccc2[nH]1 1399867580 YNKCGZFHTPYYDF-GXSJLCMTSA-N 315.333 -0.071 30 20 DBED C=C(Cl)CNC[C@H](O)CNC(=O)C[C@H]1CCS(=O)(=O)C1 1401545301 SDIMPQLNBGIGDC-MNOVXSKESA-N 324.830 -0.370 30 20 DBED C[C@@H](CNC(=O)CN1CCCC1=O)NC(=O)c1ccc(C#N)[nH]1 1408073988 XVHJZNOFGIHACH-JTQLQIEISA-N 317.349 -0.257 30 20 DBED COC[C@H](OC)C(=O)N[C@@H](C)CNC(=O)c1cc(C#N)c[nH]1 1410461471 ITVFPYHKUZWWME-CABZTGNLSA-N 308.338 -0.218 30 20 DBED CN(C)C(=O)[C@@H]1CCCN(c2[nH]c(=O)n(C)c(=O)c2C#N)C1 1412923640 SLDLRKBHYSWHMU-SECBINFHSA-N 305.338 -0.750 30 20 DBED COCCN(CCNC(=O)Cc1cc[nH]n1)C(=O)[C@@H](C)C#N 1413489401 HITBRNNYQRZBSX-NSHDSACASA-N 307.354 -0.297 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(CC(=O)N2CCCCCC2)C1 1423827005 HAZQXXNZMCKUDO-CYBMUJFWSA-N 322.409 -0.288 30 20 DBED COCCN(CCNC(=O)[C@H](C)C#N)C(=O)[C@H]1COCCO1 1426071932 PCKVCQDDVPRBMZ-VXGBXAGGSA-N 313.354 -0.847 30 20 DBED CCS(=O)(=O)N[C@H](C)C(=O)N(C)CCNC(=O)[C@@H](C)C#N 1431476727 AETGSKUGSQGTOO-VHSXEESVSA-N 318.399 -0.952 30 20 DBED CCCn1cc(CNS(=O)(=O)N2CCO[C@H](C#N)C2)nn1 1434612150 ZYYMTZXAUODGBX-LLVKDONJSA-N 314.371 -0.753 30 20 DBED N#CC[C@]1(O)CCN(C(=O)c2nc3ncc(CCO)cn3n2)C1 1452240737 CCEQSHXPHIAOCF-AWEZNQCLSA-N 316.321 -0.850 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1cccc2[nH]ncc12 1452404244 PIUDMBYUWSEGME-UWVGGRQHSA-N 315.333 -0.071 30 20 DBED Cn1c(=O)[nH]c(N[C@H]2CC(=O)N(C(C)(C)C)C2)c(C#N)c1=O 1458228115 FBXCDGCUPIUNPA-QMMMGPOBSA-N 305.338 -0.243 30 20 DBED CCN(C(=O)Cn1cc(C#N)c(O)nc1=O)c1cnn(C)c1 1469560364 IUKYHLOLIIXVOG-UHFFFAOYSA-N 302.294 -0.393 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@H]1CCCN1C(=O)CCN(C)C 1495575884 IVIJSXHDCJINQT-UONOGXRCSA-N 308.426 -0.343 30 20 DBED C[C@H](C#N)C(=O)N1CC(CNC(=O)CCCn2cncn2)C1 1498696092 DPUZIQOOWNHNTO-LLVKDONJSA-N 304.354 -0.207 30 20 DBED C=C(C)Cn1c(N2CCN(C)C(=O)C2)nnc1[C@]1(O)CCOC1 1514897019 SLWLNDYQWLVHFV-HNNXBMFYSA-N 321.381 -0.260 30 20 DBED C[C@H](C#N)C(=O)NCCN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 1573584361 UYEZNLNHWNVPGV-MRVPVSSYSA-N 316.325 -0.457 30 20 DBED C#CCN(CC#C)c1nnc([C@@H]2CCCN2)n1CC(=O)N(C)C 1574632335 OYNOKMMUYPABNK-ZDUSSCGKSA-N 314.393 -0.136 30 20 DBED C[C@@H]1CC[C@@H](NC(=O)CCn2cc(C#N)c(O)nc2=O)CN1 1576657076 MFRSXEXPSSPIBB-MWLCHTKSSA-N 305.338 -0.533 30 20 DBED CN1CC2(CN(c3cnc(C#N)c(-c4nn[nH]n4)n3)C2)OC1=O 1579322713 FUSGNWUVKAENHD-UHFFFAOYSA-N 313.281 -0.831 30 20 DBED N#Cc1cccc(-c2nn[nH]n2)c1N1C[C@@H](CO)[C@H](CO)C1 1581874047 BLEJYHPYHDNDKS-QWRGUYRKSA-N 300.322 -0.225 30 20 DBED N#Cc1nc(N[C@@H](CO)[C@H]2CCCOC2)cnc1-c1nn[nH]n1 1581880834 WTIFBPOCSJCINU-WPRPVWTQSA-N 316.325 -0.272 30 20 DBED C#C[C@@H](CC)NC(=O)N1CCN([C@@]2(C(=O)O)CCOC2)CC1 1588369208 FKBDMNZDWJIFQP-WFASDCNBSA-N 309.366 -0.031 30 20 DBED C#CCCCNC(=O)C(=O)N1C[C@H]2COCC[C@@]2(C(=O)O)C1 1588446170 BYSBJORJDKFDFN-XHDPSFHLSA-N 308.334 -0.534 30 20 DBED C#CCOCCNC(=O)N1[C@H]2CC[C@H]1[C@H](C(=O)OC)[C@@H]2C(=O)O 1602728658 ZUSVSRSTGNGESQ-YFKTTZPYSA-N 324.333 -0.318 30 20 DBED C[C@H](C#N)C(=O)NC/C=C/CN=c1cc[nH]c(-c2nn[nH]n2)n1 1602982948 BQDWUEYDJWZLTH-GKQMSVHHSA-N 313.325 -0.677 30 20 DBED O=C(C#CC1CC1)NCCCN=c1cc[nH]c(-c2nn[nH]n2)n1 1606457178 LNEJFYMOGLPJGY-UHFFFAOYSA-N 312.337 -0.590 30 20 DBED N#CC[C@]1(O)CCN(C(=O)CN2CCC[C@H](C(=O)O)C2=O)C1 1608181425 JZSAVIWQWVPXCO-HZMBPMFUSA-N 309.322 -0.813 30 20 DBED C=CCCOCCNC(=O)[C@@H](C)n1cnc(-c2nn[nH]n2)n1 1609055075 PJJJHBBMQXVPDN-SECBINFHSA-N 306.330 -0.272 30 20 DBED COc1cc(C#N)ccc1OCC(=O)NC[C@](C)(O)C(=O)O 1610280094 UNGFWPLMDDUPJI-AWEZNQCLSA-N 308.290 -0.103 30 20 DBED Cc1[nH]nc(NC(=O)CN(C)[C@H]2CCS(=O)(=O)C2)c1C#N 1645779682 KGYNBZRQXLFLKT-VIFPVBQESA-N 311.367 -0.353 30 20 DBED CN(CC#N)C[C@H]1CCCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 1752516416 GKJWLLVNBIJBHL-MNOVXSKESA-N 307.354 -0.722 30 20 DBED C=CCNC(=O)NC(=O)CN[C@H]1C[C@@H](NC(=O)COCC)C1 1752713506 VOGAWJXKJJUWFW-PHIMTYICSA-N 312.370 -0.729 30 20 DBED C=C(C)CN1CC[C@H](CNC(=O)C[C@H](NC(C)=O)C(N)=O)C1 1753135900 PUJWWCJFJUNNCP-OLZOCXBDSA-N 310.398 -0.619 30 20 DBED C#CCNC(=O)CNCCN(C)C(=O)Cn1cc(Cl)cn1 1753235436 CQFYFPIYQUJORL-UHFFFAOYSA-N 311.773 -0.666 30 20 DBED C#CCNC(=O)CNC[C@@](C)(NC(=O)[C@@H]1COCCO1)C1CC1 1753513359 NLTABJHMQLGOQY-XJKSGUPXSA-N 323.393 -0.974 30 20 DBED C#CCN[C@@H](C)[C@@H]1CCCN(C(=O)Cn2ccc(O)nc2=O)C1 1753796256 ITLZBZIROLZEBE-QWHCGFSZSA-N 318.377 -0.201 30 20 DBED C=C(C)CCNC[C@H](O)CNC(=O)C1CCS(=O)(=O)CC1 1753929666 HCGYMZRFVQLAHK-ZDUSSCGKSA-N 318.439 -0.156 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CNC(=O)COc1cc(C)on1 1754486255 LHFNUFHUHLORLC-GFCCVEGCSA-N 320.349 -0.698 30 20 DBED CCS(=O)(=O)NCCNC1(CNC(=O)C#CC2CC2)CC1 1754514213 VBNPFGMRTMCAAA-UHFFFAOYSA-N 313.423 -0.423 30 20 DBED C#CCN1CCC(C)(CNC(=O)Cn2ccc(O)nc2=O)CC1 1754719715 YVLXATVXHNPVSR-UHFFFAOYSA-N 318.377 -0.200 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(CC[C@@H]2CCOC2)C1 1754767021 JGTSUGHWIYSZJU-ZIAGYGMSSA-N 310.394 -0.386 30 20 DBED CC#CCNC1CCN(CCNC(=O)C(C)(C)C(N)=O)CC1 1754849599 YVVNNUAWEYWKKZ-UHFFFAOYSA-N 308.426 -0.309 30 20 DBED C#CCNC(=O)CN[C@H]1CN(C(=O)c2cn(CC)cn2)C[C@H]1C 1755118618 JKOYQJQJDHRLCI-OLZOCXBDSA-N 317.393 -0.298 30 20 DBED Cc1nc(O)nc(O)c1CC(=O)N[C@H](C)C1CN(CC#N)C1 1755387357 IAIGJBRQWPGTQB-MRVPVSSYSA-N 305.338 -0.301 30 20 DBED CC#CCN[C@@H](CO)CNC(=O)[C@H](OCC)C1CCOCC1 1755634987 KELHYDQWAVOWPI-HUUCEWRRSA-N 312.410 -0.092 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H](CO)CNC(=O)C(C)(C)C(F)F 1755637489 AWCYQSZBYJZHSS-VHSXEESVSA-N 319.352 -0.518 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2ccnn2C)[C@H]1C 1755651349 CPZDKQVDZKACAV-NWDGAFQWSA-N 303.366 -0.638 30 20 DBED C=CCCC(=O)N[C@@H](C)[C@H](C)NC(=O)Cn1ncn(C)c1=O 1755954543 MPXFKCVNLLCIOW-QWRGUYRKSA-N 309.370 -0.443 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@H](C)N(C)C(=O)Cc1n[nH]c(C)n1 1756021869 YRUYVHUERVDITP-ZUZCIYMTSA-N 323.397 -0.054 30 20 DBED C[C@@H](CCCNC(=O)Cn1cnnn1)NC(=O)C#CC1CC1 1756304851 YTEQEZYOSRUNIQ-NSHDSACASA-N 304.354 -0.512 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H]1CN(C)C(=O)c1cn[nH]c1 1757276344 MJQXIERRXWSWJE-GFCCVEGCSA-N 317.349 -0.778 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccn(CC)n1)CCO2 1783049896 ZRAHJBLZHQSTCQ-INIZCTEOSA-N 316.361 -0.020 30 20 DBED O=C(O)C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1CC(=O)C1 1804167187 PTWYTWAMCDAYRY-ZSBIGDGJSA-N 318.329 -0.308 30 20 DBED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(=O)C1CC1)CCO2 1830606693 YCBDQFONUOMEEG-MRXNPFEDSA-N 320.345 -0.945 30 20 DBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnco1)CCO2 1831940365 IXUSXXUNRVYZDX-HNNXBMFYSA-N 319.317 -0.622 30 20 DBED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1CCC1)CCO2 1834638268 UGAICOCFWVMYBW-MRXNPFEDSA-N 306.362 -0.124 30 20 DBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cocn3)C2)C1 1839806843 LLCICHXTWQKQPC-HNNXBMFYSA-N 319.317 -0.622 30 20 DBED C=CCSCC(=O)N1CCCC12CN(C(=O)[C@@H](N)CN)C2 1841883752 GKLPXJBALMGHRQ-NSHDSACASA-N 312.439 -0.605 30 20 DBED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCNC(=O)C2)cc1 28622974 LXJKUWNCRVBVDR-UHFFFAOYSA-N 321.358 -0.830 30 20 DBED C=CCNC(=O)NC(=O)CN1c2ccccc2C[C@H]1C(N)=O 64344633 CYPJOLNTFAYMHY-LBPRGKRZSA-N 302.334 -0.085 30 20 DBED COCCN(C)S(=O)(=O)NCC1CCN(CC#N)CC1 151832787 ITIJLWWBGLPHBO-UHFFFAOYSA-N 304.416 -0.365 30 20 DBED C#CCN1CCN(C(=O)CSCCN2CCOCC2)CC1 159810313 NIKQSVRZLYNWLQ-UHFFFAOYSA-N 311.451 -0.171 30 20 DBED C#CCN(C)C(=O)CCC(=O)N1CCN(c2ncccn2)CC1 191146901 RCQZKLHOYYAGPP-UHFFFAOYSA-N 315.377 -0.003 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@](C)(CN)CC(C)C)C1=O 262577840 KJDXVMFNKUWHLR-HNNXBMFYSA-N 324.381 -0.157 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)CCO1 264352039 DFEYBSFFCXPNAP-LLVKDONJSA-N 320.334 -0.425 30 20 DBED CC(C)N1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC1=O 272408182 BTPLFBUAKAGUNE-UHFFFAOYSA-N 305.338 -0.987 30 20 DBED CC(C)N1C(=O)C[C@@H](NS(=O)(=O)c2cccnc2C#N)C1=O 277257894 WKVJTPIVRANZSF-SECBINFHSA-N 322.346 -0.233 30 20 DBED N#Cc1ncn(CCN[C@@H](Cc2ccc(F)cc2)C(N)=O)n1 285132276 OBGCMPPLCXJCDI-LBPRGKRZSA-N 302.313 -0.025 30 20 DBED CC(C)Nc1nc(NCCO)nc(N2CCO[C@@H](C#N)C2)n1 287410588 PUKSCRDRJRLQEN-JTQLQIEISA-N 307.358 -0.175 30 20 DBED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](CC)C(N)=O)c1 295769119 JNMHAFDIYIKXOX-GFCCVEGCSA-N 323.374 -0.408 30 20 DBED C[C@H](C(=O)N1CC[C@@H](N/C(O)=N/C2CC2)C1)N1CCN(C)CC1 329537724 VBLBLBGGTYSIHH-TZMCWYRMSA-N 323.441 -0.111 30 20 DBED CNC(=O)[C@@H]1CCC[C@H]1N/C(O)=N/CCCS(C)(=O)=O 330569423 MCSXJJHUSMLZLJ-NXEZZACHSA-N 305.400 -0.161 30 20 DBED Cc1onc(CC(=O)NC[C@](C)(O)CN2CCOCC2)c1C#N 332566111 UYPHSIRVXMVBOL-HNNXBMFYSA-N 322.365 -0.403 30 20 DBED CC[C@@H]1CO[C@H](C)CN1S(=O)(=O)N1CCO[C@H](C#N)C1 336917298 NKWKATSBHBFNPT-IJLUTSLNSA-N 303.384 -0.045 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N1CCN2C(=O)CC[C@@H]2C1 337758052 IQEJLNDYIQCGCV-WDEREUQCSA-N 300.384 -0.228 30 20 DBED N#CCCn1ccc(NC(=O)C(=O)N[C@H](CO)C2CCCC2)n1 354897847 ZOKIXLSNGWNKBT-GFCCVEGCSA-N 319.365 0.403 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)[C@H]2CC[C@H](C(=O)OC)O2)C1=O 356341742 LMPKWZGUAGTDRL-QJPTWQEYSA-N 310.350 -0.048 30 20 DBED N#Cc1ccc(Cl)c(NC(=O)C(=O)NCCn2ncnn2)c1 359370512 BSZSZCQGGURORH-UHFFFAOYSA-N 319.712 -0.047 30 20 DBED CC1(C)[C@H](O)C[C@H]1NC(=O)C(=O)Nc1ccn(CCC#N)n1 426848577 PMOCEJCELWRUQI-NXEZZACHSA-N 305.338 0.011 30 20 DBED N#CCCNS(=O)(=O)CCNS(=O)(=O)c1ccccc1 487394304 MLZSSAQUYHFRMF-UHFFFAOYSA-N 317.392 -0.202 30 20 DBED C=CCCn1cc(C(=O)N[C@H]2CCc3nnnn3CC2)nn1 516175474 BKKIESDPMDWHRA-JTQLQIEISA-N 302.342 -0.024 30 20 DBED O=C1c2ccccc2C(=O)N1CC#CCN1C[C@H](O)[C@H](O)C1 528400316 NEJTYTDVGOMPEG-OKILXGFUSA-N 300.314 -0.677 30 20 DBED COC(=O)CN(CC#N)S(=O)(=O)[C@H]1CCC[C@H]1C(=O)OC 530538092 AYYYJPVMCBGEDA-ZJUUUORDSA-N 318.351 -0.344 30 20 DBED N#Cc1ccc(N2CC[C@@H](C(=O)NC[C@H](O)C(N)=O)C2)c(F)c1 597587246 WQQSCIGDIIBRRQ-MFKMUULPSA-N 320.324 -0.514 30 20 DBED C[C@@H](CS(C)(=O)=O)NC(=O)N1CCN(CCC#N)CC1 601581804 QVFVIOPSVKVVAS-NSHDSACASA-N 302.400 -0.340 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N=c2cc[nH]cc2CC)C1=O 603790212 SWQKMKOAAVWEOO-UHFFFAOYSA-N 316.317 -0.019 30 20 DBED COC(=O)CNC(=O)[C@H](C)N1CCN([C@H](C#N)C(C)C)CC1 609537536 AJRZKWKJKOSQRT-QWHCGFSZSA-N 310.398 -0.170 30 20 DBED N#Cc1ccc(S(=O)(=O)NC2(C(N)=O)CCOCC2)s1 619548138 BJMBXMLPZCJEQF-UHFFFAOYSA-N 315.376 -0.067 30 20 DBED C=CCN(CC=C)C(=O)Cn1cc(C(=O)NCCOC)nn1 640791729 JTCTXAZUGUVJLA-UHFFFAOYSA-N 307.354 -0.145 30 20 DBED C=CCNC(=O)[C@@H](C)OC(=O)CN1C(=O)C(=O)N(CC=C)C1=O 726042357 AYLGJDJVDRXZOS-SECBINFHSA-N 323.305 -0.803 30 20 DBED C=C(C)CN(CC)C(=O)COC(=O)c1cn(C)c(=O)n(C)c1=O 735153599 PAFPDECFXBWCOW-UHFFFAOYSA-N 323.349 -0.335 30 20 DBED C#CCOCCNC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 753382072 MGUZCPWGNIPNOZ-CQSZACIVSA-N 322.409 -0.416 30 20 DBED N#CCOc1ccc(CC(=O)N2CCN(C(=O)CO)CC2)cc1 760211771 PKBKIIBVUHKIGW-UHFFFAOYSA-N 317.345 -0.205 30 20 DBED C#C[C@H](NC(=O)C(=O)NCCCn1ccnc1)[C@H]1CCCO1 774460584 DQIXWIRBRXYLSL-QWHCGFSZSA-N 304.350 -0.314 30 20 DBED COC[C@H](C#N)OC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 785091963 BLGDJIWMFJHDCC-ZIIUWJBSSA-N 304.302 -0.125 30 20 DBED C#CCOCCNC(=O)C(=O)Nc1cccc(-n2ccnn2)c1 785160901 OFSKLOQHLTUSAW-UHFFFAOYSA-N 313.317 -0.028 30 20 DBED C#CCCCNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 806911463 YRZPPFLTAKZVSD-CYBMUJFWSA-N 321.377 -0.634 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCCOC2CCC2)C1=O 807164571 MSPDSCROPRLRCE-CYBMUJFWSA-N 323.393 -0.083 30 20 DBED C#CCNC(=O)[C@@H](C)OC(=O)CNc1ccccc1C(N)=O 808583404 VRSYCFCULXTJEF-SNVBAGLBSA-N 303.318 -0.122 30 20 DBED C=CCN(CC(=O)OCC)C(=O)[C@H](C)NS(=O)(=O)CC 816955856 NYVFKNFWAPJDSU-JTQLQIEISA-N 306.384 -0.108 30 20 DBED C#C[C@H](NC(=O)N1C[C@@H](C(=O)OC)C[C@@H](O)C1)[C@H]1CCCO1 826946429 NRFHJXTZYVPPJC-QNWHQSFQSA-N 310.350 -0.267 30 20 DBED C[C@@H](N)CNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 834682106 OKMNXMWMFCNZBF-SECBINFHSA-N 310.379 -0.421 30 20 DBED N#C[C@@H]1CNC[C@H]1NC(=O)C(=O)NCCCc1ccccc1 843463029 UIJXETPBLAINCF-ZIAGYGMSSA-N 300.362 -0.037 30 20 DBED C#CCN(CC(=O)O)S(=O)(=O)N1CCC2(CC1)OCCO2 849219090 GNTVAANQLZDNPR-UHFFFAOYSA-N 318.351 -0.910 30 20 DBED O=C(OCCN1C(=O)CNC1=O)c1cccc(C#CCO)c1 860075339 BITYWAODNYHDTM-UHFFFAOYSA-N 302.286 -0.261 30 20 DBED C[C@@]1(CNC(=O)C(=O)N2CCN(CCC#N)CC2)CCCNC1 884710990 AYZOLVJPRRZPMA-MRXNPFEDSA-N 321.425 -0.450 30 20 DBED C#CCN1CCC[C@@H](NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 905461773 RZNCEPJGRBEPKP-OCCSQVGLSA-N 307.354 -0.161 30 20 DBED N#Cc1cc(C(=O)N2CC[C@H](NC(=O)[C@@H]3COCCO3)C2)c[nH]1 937699315 NMMXSNPIGRPXAB-AAEUAGOBSA-N 318.333 -0.368 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCN(C(=O)c3cn[nH]c3)C2)nn1 940504953 MRXQQVWTJCOSLO-LLVKDONJSA-N 315.337 -0.168 30 20 DBED C[C@@H](C#N)C(=O)N1CCCN(C(=O)c2cnn(C)c2N)CC1 940820945 WXBSYBIUXDLHKQ-JTQLQIEISA-N 304.354 -0.164 30 20 DBED C#CCN1C[C@H]2CCN(C(=O)C3CC(=O)NC(=O)C3)CC[C@H]2C1 946821717 QMKCAHUYJRIBPS-BETUJISGSA-N 317.389 -0.157 30 20 DBED C=CCn1cccc1C(=O)N1C[C@H]2C[C@H]1[C@H]2NC(=O)C(N)=O 947917608 LJUUXKYORPSGHJ-USWWRNFRSA-N 302.334 -0.512 30 20 DBED C[C@H](C#N)C(=O)N1CCC(NC(=O)[C@@H]2CCCN2C(N)=O)CC1 948109581 IFSRYJWUAQXMBO-PWSUYJOCSA-N 321.381 -0.204 30 20 DBED N#Cc1ccc(C(=O)NC[C@@H]2CCN2C(=O)c2cnon2)[nH]1 949453137 YZDOFVGFLHDJQV-VIFPVBQESA-N 300.278 -0.086 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2CCN2C(=O)Cn2ncnn2)cc1 951439308 IYRMIPTYEWRGJT-AWEZNQCLSA-N 324.344 -0.315 30 20 DBED Cc1cc2[nH]c(=O)c(C(=O)N3CCN(CC#N)CC3)cn2n1 951746575 OXXILXYAIDGCCH-UHFFFAOYSA-N 300.322 -0.388 30 20 DBED C[C@H](C#N)C(=O)N1CC(N(C)C(=O)[C@@H]2CCCS2(=O)=O)C1 954422457 RSCXWJVFVROGIN-KOLCDFICSA-N 313.379 -0.608 30 20 DBED C#CCCN1C[C@@H](O)[C@H](CNC(=O)c2c(C)nn(C)c2F)C1 958631549 SHPWXJNWGMKYQH-VXGBXAGGSA-N 308.357 -0.087 30 20 DBED C=C1CC(C)(C(=O)N(C)[C@H]2CN(C(=O)CC(N)=O)C[C@@H]2O)C1 958952055 PZRQDXLKCOHMEO-QWRGUYRKSA-N 309.366 -0.752 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1[C@H]2COC[C@H]21 960790678 QHNKAMCRQVQLPA-WCQYUDONSA-N 319.361 -0.523 30 20 DBED CC#CCN1C[C@H]2[C@H](NC(=O)[C@@H]3CCN(C)S3(=O)=O)[C@H]2C1 962005730 DGKJSBKGOPXEQX-QNWHQSFQSA-N 311.407 -0.910 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)CCn3cnnn3)C[C@@H]2C1 962209003 UUGMFQAXKPQOSO-UTUOFQBUSA-N 317.353 -0.860 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1NC(=O)Cn1cnnn1 966399420 LKXHURQKXMLLRI-PWSUYJOCSA-N 302.338 -0.950 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](NC(=O)C(N)=O)C(C)(C)C1 967124488 IELZWTYIVKUNQZ-WOPDTQHZSA-N 323.393 -0.194 30 20 DBED C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)CN2CC(=O)NC2=O)C1 968431113 JBCXWSVIATVIPT-RYUDHWBXSA-N 308.382 -0.059 30 20 DBED C[C@H](NC(=O)c1cc(C#N)c[nH]1)C1CN([C@H]2CCNC2=O)C1 969463194 LBKVBJQVJXRXCJ-ZANVPECISA-N 301.350 -0.175 30 20 DBED Cc1nc(C(=O)N[C@@H](C)C2CN(CC#N)C2)nn1-c1nc[nH]n1 970243400 UWYFVQGTEGBUKT-QMMMGPOBSA-N 315.341 -0.733 30 20 DBED C=C(C)CN1CC([C@H](C)NC(=O)[C@H]2CCS(=O)(=O)N2)C1 970890887 GQUAJYIOGCNXQX-CMPLNLGQSA-N 301.412 -0.309 30 20 DBED CN1CCO[C@H](C(=O)N2CC[C@@]3(CN(CC#N)CCO3)C2)C1 972314322 CNANRKNAGKSTGN-DZGCQCFKSA-N 308.382 -0.856 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2nc[nH]n2)C1 973508583 IOGGGLRUINZYQN-DBIOUOCHSA-N 305.338 -0.227 30 20 DBED C#CCCN1CCCC2(C1)CN(C(=O)C[C@H]1CC(=O)NC1=O)C2 982176102 CDEWYYJVTKUYPN-CYBMUJFWSA-N 317.389 -0.013 30 20 DBED C#CCN1CCN(C(=O)N2CCN(C(=O)[C@H](C)C#N)CC2)CC1 985824093 BUGACGKZASUOOB-CQSZACIVSA-N 317.393 -0.339 30 20 DBED C[C@@H]1[C@H](NCC#N)CCN1C(=O)Cn1[nH]cc2c(=O)ncnc1-2 987192309 ZWZHIUHOMFURIC-MWLCHTKSSA-N 315.337 -0.826 30 20 DBED C=CCN[C@H]1C[C@@H](C)N(C(=O)Cn2ncn3nccc3c2=O)C1 989511941 VOBDNBAJWMAZKY-NEPJUHHUSA-N 316.365 -0.344 30 20 DBED CSCC(=O)N1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H](O)C1 991385070 LRFUGXVINVFIPY-PWSUYJOCSA-N 322.390 -0.059 30 20 DBED CC#CCN1CC[C@@]2(NC(=O)Cn3ncn(C)c3=O)CCC[C@H]12 991475060 RYIWTXPSNAFTKF-BBRMVZONSA-N 317.393 -0.282 30 20 DBED C=CCCn1cc(C(=O)NC2CN(C(=O)CC(C)(C)O)C2)nn1 991980084 UNULCEXYLKOBQV-UHFFFAOYSA-N 321.381 -0.044 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN(C(=O)c2cncnc2)C1 994749755 DCMNGYMTZLYKCV-AWEZNQCLSA-N 313.361 -0.485 30 20 DBED N#CCN[C@@H]1CCCN(C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)C1 999730694 ALMSETHRJMMMGW-UPJWGTAASA-N 308.382 -0.096 30 20 DBED C=CCN1CC[C@H](n2cc(CNC(=O)c3nc[nH]n3)nn2)C1 1000030746 TWGKKDFEPGDGFC-NSHDSACASA-N 302.342 -0.241 30 20 DBED C=C1CC(C)(C(=O)N2CC(NC(=O)CN3C(=O)CNC3=O)C2)C1 1000135240 OIJULQJQWWECFM-UHFFFAOYSA-N 320.349 -0.779 30 20 DBED C[C@@H](C#N)C(=O)N1CC(CNC(=O)c2cc(C(N)=O)ccn2)C1 1003166691 WYBXHWURSUCKEF-VIFPVBQESA-N 315.333 -0.472 30 20 DBED C#CCCN1CCC[C@@H](NC(=O)[C@H]2CCN(C)S2(=O)=O)C1 1008840249 NGGZFIHUZWGIFZ-CHWSQXEVSA-N 313.423 -0.376 30 20 DBED C[C@@H]1C[C@H](CNC(=O)c2ccc(C#N)[nH]2)CN1C(=O)CC(N)=O 1010062758 DABRXZNAAXLQAL-NXEZZACHSA-N 317.349 -0.271 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C(=O)[C@@H]2CCCS2(=O)=O)CC1 1011216433 WFMIICOZEYHCNI-MNOVXSKESA-N 313.379 -0.606 30 20 DBED NC(=O)CC(=O)N1CC[C@@H]2OCCN(C(=O)C#CC3CC3)[C@H]2C1 1019864661 TXOJPUPOXZRNNZ-STQMWFEESA-N 319.361 -0.897 30 20 DBED C=CCN1CC[C@H](N[C@H]2C[C@H](NC(=O)Cc3cnc[nH]3)C2)C1=O 1020636651 CAJXVNDKZGTZPT-OBJOEFQTSA-N 317.393 -0.024 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CCN(C(=O)c3cnn(C)c3N)[C@@H]2C1 1021434819 SQJJGLZDYHKSQG-JFGNBEQYSA-N 316.365 -0.165 30 20 DBED Cc1nc(C)c(C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2O)[nH]1 1025699089 IWYRTDGTUQKNQG-CHWSQXEVSA-N 316.361 -0.259 30 20 DBED C=CCN[C@@H]1CC[C@H]2CN(C(=O)CN3CC(=O)NC3=O)C[C@@H]21 1026378693 YBHVFEVDNATYGT-SDDRHHMPSA-N 306.366 -0.449 30 20 DBED C#CCN1CCCC[C@H](NC(=O)CN2C(=O)CN(C)C2=O)C1 1034523966 QRSPKHUVNARKPH-LBPRGKRZSA-N 306.366 -0.516 30 20 DBED C#CCN1CCO[C@H](CNC(=O)c2cnc(O)cc2OC)C1 1035518733 PTVKVCOUBBSASS-LLVKDONJSA-N 305.334 -0.140 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2CN(C[C@H](C)O)CCO2)nn1 1035535291 HMCUXDFUKWMOMP-NWDGAFQWSA-N 309.370 -0.725 30 20 DBED C=CCN1CCO[C@@H](CNC(=O)[C@H]2CCc3nn[nH]c3C2)C1 1035572792 FJJCJUZVCZAWNY-RYUDHWBXSA-N 305.382 -0.087 30 20 DBED C#CCCCC(=O)NC[C@@]1(O)CCN(C(=O)c2cnccn2)C1 1039570628 YFCOZLRRGSHVHK-INIZCTEOSA-N 316.361 -0.027 30 20 DBED C[C@H]1[C@@H](Nc2ccc(C#N)nn2)CCN1C(=O)[C@H]1C[C@H]1C(N)=O 1040249027 KAXFACNIISPDKS-IELRGYKMSA-N 314.349 -0.129 30 20 DBED C[C@H]1[C@@H](N=c2cc[nH]cc2C#N)CCN1C(=O)[C@H]1C[C@H]1C(N)=O 1040249713 ZNKWTVYGHYBNFA-RYDUCSDGSA-N 313.361 -0.102 30 20 DBED N#Cc1ccc(N2C[C@@H]3CCN(C(=O)Cn4cnnn4)[C@@H]3C2)nc1 1040513290 RILZUNOJIJXKNV-QWHCGFSZSA-N 324.348 -0.323 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC[C@](O)(CNC(=O)c2cnon2)C1 1040667977 GQFOTVGWIITYNS-HZMBPMFUSA-N 324.337 -0.646 30 20 DBED Cc1ncc(C(=O)N2CC[C@](O)(CNC(=O)[C@@H](C)C#N)C2)[nH]1 1040760185 GCSJBXCIQSFDME-XPTSAGLGSA-N 305.338 -0.429 30 20 DBED Cc1ccnc(C(=O)N2CC[C@@](O)(CNC(=O)[C@@H](C)C#N)C2)n1 1040763485 PCQLECXFLZZQIT-ZUZCIYMTSA-N 317.349 -0.362 30 20 DBED CCN(C)CCC(=O)NC[C@]1(O)CCN(C(=O)C#CC2CC2)C1 1040902410 RYUSGXNDJZPUQA-QGZVFWFLSA-N 321.421 -0.179 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)[C@@H](C)OCC)C1 1041626109 ACTCXTMVTSXRSP-LLVKDONJSA-N 300.355 -0.697 30 20 DBED C[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1NC(=O)[C@@H]1COCCO1 1041786931 KTDMYPMJEQUVMM-RTXFEEFZSA-N 317.349 -0.295 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)CCCC(=O)NC)C1 1041956940 ZYVNXWBZCZAMPR-UHFFFAOYSA-N 311.382 -0.442 30 20 DBED C=CCN1CC[C@H]2CCN(C(=O)CN3CC(=O)NC3=O)C[C@H]21 1042271621 DACKZGFQRVCFRD-NWDGAFQWSA-N 306.366 -0.353 30 20 DBED C#CCCCCC(=O)NCC1(O)CN(C(=O)c2ccncn2)C1 1042659091 ZKAHQLNXVNJLAX-UHFFFAOYSA-N 316.361 -0.027 30 20 DBED CO[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1NC(=O)c1nc[nH]n1 1042871839 VVNBQPWVSRRJFA-NXEZZACHSA-N 314.309 -0.900 30 20 DBED O=C(C#CC1CC1)NCC1(O)CN(C(=O)c2cccnn2)C1 1042960742 NVXCHBRJAFASOO-UHFFFAOYSA-N 300.318 -0.807 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)[C@@H]2CCN(C)C2)C1 1043116750 QHICYLHQBBLGRN-CYBMUJFWSA-N 307.394 -0.713 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCCNC2=O)C1 1043478332 OFZSAWGNFYLJHI-LLVKDONJSA-N 309.366 -0.832 30 20 DBED CC#CCCCC(=O)N1CC(O)(CNC(=O)c2nonc2C)C1 1043718516 CZUHHFISDYAWIW-UHFFFAOYSA-N 320.349 -0.125 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CN(c3nccnc3F)C[C@@H]2O)[nH]1 1043892349 UGASUBCVSAFNIA-MNOVXSKESA-N 316.296 -0.205 30 20 DBED CC#CCCCC(=O)NCC1(O)CN(C(=O)Cc2ncc[nH]2)C1 1044994807 ZYXSMQXNDCFLFK-UHFFFAOYSA-N 318.377 -0.165 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)[C@H](F)C(F)(F)F)C1 1045559429 KJGZQEQGQGICDR-RQJHMYQMSA-N 311.235 -0.264 30 20 DBED C=CCN1CC[C@H](N2[C@H]3CC[C@H]2CN(C(=O)C(N)=O)CC3)C1=O 1045838296 QSGYKBDHDBQPEF-AVGNSLFASA-N 320.393 -0.676 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)[C@H]2CN(C)C[C@H]2C)C1 1046685250 RCKFEGKINQWAAV-KGLIPLIRSA-N 321.421 -0.467 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccn3nnnc3c2)C1 1047482978 RQTKSXMJXGXKHC-STQMWFEESA-N 314.349 -0.735 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cn(C)cn2)C1 1048678167 LMHYHPDHOSSOOV-KBPBESRZSA-N 318.377 -0.133 30 20 DBED N#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H]1NC(=O)NC1=O 1049526432 HWXAWWKAWSBYMG-HBNTYKKESA-N 305.338 -0.827 30 20 DBED N#CCN1C[C@@H]2CCCN(C(=O)[C@H]3CCS(=O)(=O)C3)[C@@H]2C1 1050088526 FXOOBCHKHCZRIC-RWMBFGLXSA-N 311.407 -0.133 30 20 DBED C[C@@H](NC(=O)C(N)=O)[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 1050404031 MXXLSICVSBOCIK-PSASIEDQSA-N 303.322 -0.662 30 20 DBED C[C@@H]1[C@@H](NC(=O)[C@H]2CCNC2=O)CCN1c1nccnc1C#N 1050849171 ATDJARWDFZMTFN-VWYCJHECSA-N 314.349 -0.432 30 20 DBED N#CCN1CCOC[C@@H]1CNC(=O)c1ccnc2c1CC(=O)N2 1051005325 WZCXCGKVZUNMQQ-JTQLQIEISA-N 315.333 -0.470 30 20 DBED N#Cc1ccc(N2CC[C@H](NC(=O)c3cc[nH]n3)[C@H](O)C2)nn1 1051611145 DQRGCUADPSQIBL-CMPLNLGQSA-N 313.321 -0.559 30 20 DBED C[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1CNC(=O)C(N)=O 1052385441 SSCSZHQFIVVUED-IUCAKERBSA-N 303.322 -0.804 30 20 DBED N#CCN1CC2(C1)CN(C(=O)[C@@H]1CCc3nccn3C1)CCO2 1053313847 FKFYKDLOMYQWHI-CYBMUJFWSA-N 315.377 -0.118 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)[C@@H]3CN(C)CCO3)CO2)C1 1053766416 MWWAWEPQRKTKMR-KGLIPLIRSA-N 307.394 -0.700 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)[C@@H]3CCN(C)C(=O)C3)CO2)C1 1053849353 IJZNXJRFOHOEDC-KGLIPLIRSA-N 319.405 -0.162 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NCCN1C(=O)CCC1=O 1054628977 ODWJCYZCBLMIGC-TZMCWYRMSA-N 317.389 -0.015 30 20 DBED CN1C[C@@H](C(=O)N2CCN(c3ccncc3C#N)CC2)NC1=O 1055975041 XFWSEYDDKVTHOG-LBPRGKRZSA-N 314.349 -0.375 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@](CO)(NC(=O)CCCN(C)C)C1 1056081340 CPHUJAYLQFJMAV-BBRMVZONSA-N 324.425 -0.042 30 20 DBED C=C1CC(C)(C(=O)NCCN(CCO)C(=O)[C@H]2CCC(=O)N2)C1 1057204420 XPROUZCYISJUQZ-GFCCVEGCSA-N 323.393 -0.442 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)[C@@H]1CCN(C)C1 1057447115 PELJGDBKTZZQLP-CQSZACIVSA-N 309.410 -0.321 30 20 DBED N#Cc1ccc(N2CCC[C@@H](NC(=O)Cn3ncnn3)C2)nn1 1058196892 IVOCYUAAILHVPE-LLVKDONJSA-N 313.325 -0.880 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)[C@@H]1CCC(=O)N1C 1058420454 PUOKVQHUMBPXBP-ZDUSSCGKSA-N 323.393 -0.652 30 20 DBED CC#CCCCC(=O)N(CCO)CCNC(=O)Cc1nc[nH]n1 1058442810 RUGBVQZLCORQLP-UHFFFAOYSA-N 321.381 -0.522 30 20 DBED N#Cc1cnc(N2CC[C@@H](NC(=O)[C@H]3CCC(=O)NC3)C2)cn1 1058594388 PWZGOQCVTKPGQS-WDEREUQCSA-N 314.349 -0.431 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)[C@H](COC)OC 1058757231 WHECDUWEXSOIKZ-ZDUSSCGKSA-N 314.382 -0.612 30 20 DBED Cc1cc(C#N)nc(N[C@H]2CCN(C(=O)Cn3nccn3)C2)n1 1058978043 IGDAHXNIASYXOD-NSHDSACASA-N 312.337 -0.039 30 20 DBED C#CCCCC(=O)N1CCOC[C@H]1CNC(=O)[C@H]1CCNC1=O 1061747965 CSGDXIRBDZXVFS-OLZOCXBDSA-N 321.377 -0.730 30 20 DBED C=C1CCC(C(=O)N2CCOC[C@@H]2CNC(=O)C(N)=O)CC1 1061840740 PDDUOYYWCHORHK-LBPRGKRZSA-N 309.366 -0.438 30 20 DBED C#CCNC(=O)CC(=O)N1CCCC[C@@H]1CNC(=O)C(F)F 1062143364 UVVHBWCZTCCRGJ-SNVBAGLBSA-N 315.320 -0.112 30 20 DBED C=C(C)[C@H](CC(=O)NCC1(NC(=O)C(N)=O)CCC1)OCC 1063274738 UEHFONIPXWDNSS-NSHDSACASA-N 311.382 -0.002 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)[C@H]2CN(C)C(=O)N2)CCO1 1065420949 PJJAELHEYLCBCC-VXGBXAGGSA-N 324.381 -0.680 30 20 DBED CN(C(=O)c1cnn[nH]1)[C@H]1CN(c2ccc(C#N)nc2)C[C@@H]1O 1065635819 SYNRDHIOOMYTNT-STQMWFEESA-N 313.321 -0.607 30 20 DBED Cn1nncc1C(=O)N1C[C@@H]2CN(c3cnc(C#N)cn3)C[C@@H]2C1 1065997290 AKMLMISRUQEVEH-PHIMTYICSA-N 324.348 -0.315 30 20 DBED N#Cc1ccc(N2CCOC[C@H]2CNC(=O)c2nc[nH]n2)nc1 1066494513 HJHGYEDVDFOLCO-LLVKDONJSA-N 313.321 -0.293 30 20 DBED Cn1nncc1C(=O)N1C[C@H]2CC[C@H]1CN2c1ccc(C#N)nn1 1068040442 FEGLATVAZRSKDR-NEPJUHHUSA-N 324.348 -0.030 30 20 DBED C[C@H]1C[C@H](CN=c2cc[nH]c(C#N)n2)CN1C(=O)CC(N)=O 1068303817 UHQSIWSMIOLDOF-VHSXEESVSA-N 302.338 -0.706 30 20 DBED C=CCOCC(=O)N1CC2(C[C@H](NC(=O)C(F)F)CO2)C1 1068639607 AKVNXLFXRFGLRY-VIFPVBQESA-N 304.293 -0.060 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@H]1COC2(C1)CN(C(=O)COC)C2 1068832668 IANLBTITBAHWNO-BXUZGUMPSA-N 312.366 -0.554 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1COC2(C1)CN(C(=O)COCC)C2 1068869493 ZGUSOXBOFIIGKG-STQMWFEESA-N 324.377 -0.453 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1COC2(C1)CN(C(=O)c1cccnn1)C2 1069004309 VJNQQJBYGCJPTG-QWRGUYRKSA-N 315.333 -0.264 30 20 DBED C#CCOCCC(=O)N1CCC(CC)(NC(=O)CC(N)=O)CC1 1069374683 TXYGCKABBHTKJH-UHFFFAOYSA-N 323.393 -0.211 30 20 DBED Cn1cnc([C@@H]2CN(C(=O)Cc3ncc[nH]3)C[C@H]2NCC#N)c1 1070549532 JSFORADVEVDMBF-WCQYABFASA-N 313.365 -0.207 30 20 DBED C=CCN1CC[C@@]2(C1)CN(C(=O)CCn1cnnn1)C[C@@H](C)O2 1071222812 HGZCMYUMUYHIDT-UKRRQHHQSA-N 320.397 -0.059 30 20 DBED C[C@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@@H]1NC(=O)C#CC1CC1 1072165481 OPQNBZFNLKQPSK-GWCFXTLKSA-N 324.402 -0.593 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(C)(NC(=O)Cn2cnnc2O)CC1 1073229191 SFOSQVQVAGHOGI-JTQLQIEISA-N 320.353 -0.359 30 20 DBED Cc1cc(NC(=O)C(=O)N2CC3(CCN(CC#N)C3)C2)no1 1073423459 MQDDGABWMCMHIO-UHFFFAOYSA-N 303.322 -0.021 30 20 DBED C=CCOCC(=O)NCC1(O)CCN(C(=O)c2cocn2)CC1 1074517123 YYKMOVDUXZQDDZ-UHFFFAOYSA-N 323.349 -0.040 30 20 DBED C=CCCC(=O)NCC[C@H](C)NC(=O)Cn1nc(C)n(C)c1=O 1075883513 HRFOBNLTKYJIEI-NSHDSACASA-N 323.397 -0.133 30 20 DBED C#Cc1ccc(C(=O)NCC[C@H](C)NC(=O)CNC(N)=O)cc1 1077701865 RHJRHNOLJGKLOP-NSHDSACASA-N 316.361 -0.039 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)[C@@H]1CCCN(C(=O)CC(N)=O)CC1 1078959649 MTRFPSCKYXHWRS-QWHCGFSZSA-N 323.393 -0.260 30 20 DBED C=CCC(CC=C)C(=O)N1CCC(CO)(NC(=O)C(N)=O)CC1 1080976217 POOBIIHTBHCERT-UHFFFAOYSA-N 323.393 -0.290 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2cccnc2)C1 1081191562 IWKXMNGVNSSTIO-ZIAGYGMSSA-N 319.361 -0.167 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)Cn2cccn2)C1 1081259638 NZAPPMFQASVHHX-UONOGXRCSA-N 318.377 -0.522 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)Cn2ccnc2)C[C@@H]1O 1081341816 UYFRATGFFWPUOU-OLZOCXBDSA-N 322.365 -0.979 30 20 DBED C=CCCCC(=O)NC[C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1O 1081705041 LNZGGPUZKQECEH-CHWSQXEVSA-N 321.381 -0.430 30 20 DBED C=CCCN1C[C@@H](NC(=O)C2CS(=O)(=O)C2)[C@H](OC)C1 1081728706 YZWRFAIWEARJQR-VXGBXAGGSA-N 302.396 -0.578 30 20 DBED N#CCN[C@H]1C[C@H](CNC(=O)c2cnn3c(=O)cc[nH]c23)C1 1086499116 SHROUTVPGDONAW-MGCOHNPYSA-N 300.322 -0.356 30 20 DBED CC#CCN1CC[C@@H]2CN(C(=O)C3CC(=O)NC(=O)C3)C[C@@H]2C1 1088139788 FAHVXQVIMNMZNN-OCCSQVGLSA-N 317.389 -0.157 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CO[C@H]2CCN(CC(N)=O)C2)CC1 1088230785 ZCWOUXXGVHHFBN-JSGCOSHPSA-N 322.409 -0.039 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2cccc3ncnn23)[C@H](O)C1 1090401027 ZPXCILPNOQCYSB-GXTWGEPZSA-N 313.361 -0.082 30 20 DBED CC[C@H](C(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@H]1O)N(C)C 1090455569 ZNNMBKKJYFFCFT-UMVBOHGHSA-N 317.393 -0.041 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2cn(CC3CC3)nn2)[C@@H](O)C1 1090682056 IGUNZOBNDAANND-HIFRSBDPSA-N 317.393 -0.124 30 20 DBED C=CCCN1CC[C@H](NC(=O)Cn2nc(C)ccc2=O)[C@@H](O)C1 1090750124 ZWKQYRVGVDQOAB-KBPBESRZSA-N 320.393 -0.321 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2cccc(NC(N)=O)c2)[C@H](O)C1 1090797931 IPSFOIPKPHWXKZ-CHWSQXEVSA-N 317.349 -0.134 30 20 DBED C[C@H](NC(N)=O)C(=O)N1C[C@@H](N=c2cc[nH]cc2C#N)[C@H](C)C1 1090968225 WXPSIBUVRHTSIB-GBIKHYSHSA-N 316.365 -0.309 30 20 DBED CCC[C@@H](OC)C(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1091165925 HYQVZTXRZZIURQ-FRRDWIJNSA-N 319.365 -0.171 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCC1CC(NCc2nnn(C)n2)C1 1091239499 XLDLTHGVYWGGTD-TUUUFIMRSA-N 320.397 -0.214 30 20 DBED CNC(=O)CC(=O)NC1[C@H]2CN(c3ccc(C#N)c(C)n3)C[C@H]12 1093241217 BCJUVHSIQWJUPQ-RYUDHWBXSA-N 313.361 -0.051 30 20 DBED CC(C)(C(=O)NCCNc1nccnc1C#N)N1CCOCC1 1093732897 DOZUHJQXCCUDQM-UHFFFAOYSA-N 318.381 -0.013 30 20 DBED COC[C@@]1(C(=O)NCCNc2cncc(C#N)n2)CCOC1 1094009517 DHHKHBDFVIZFQP-AWEZNQCLSA-N 305.338 -0.071 30 20 DBED C=CCN1CC(n2cc(CNC(=O)[C@@H]3CC[C@@H]3C(N)=O)nn2)C1 1094309861 TXIFNFUTWMSXRP-QWHCGFSZSA-N 318.381 -0.552 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)C3CC(OC)C3)CC2=O)C1 1094750212 YLPWTYZQGGOPKC-LXVYMNJGSA-N 307.394 -0.001 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)[C@H]3CCCCN3C)CC2=O)C1 1094751768 XERACXBRYTTZPO-DZGCQCFKSA-N 318.421 -0.495 30 20 DBED C=CCOCC(=O)N1CC[C@@H](Nc2ccc3nnnn3n2)C1 1095026196 BXQVMCIKQLFOIN-SNVBAGLBSA-N 303.326 -0.265 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](N(C)c2ccnc(C)n2)C1 1095111399 SFOZCISBSBWLQS-ZDUSSCGKSA-N 315.377 -0.038 30 20 DBED C[C@H](CC(N)=O)C(=O)N1CCCN(c2cnc(C#N)cn2)CC1 1095201859 DBXWJCVXHFIXPG-LLVKDONJSA-N 316.365 -0.102 30 20 DBED CC(=O)NC(C)(C)C(=O)N[C@@H]1CCN(c2cncc(C#N)n2)C1 1096401140 PSWCQNOUGOTKFC-LLVKDONJSA-N 316.365 -0.042 30 20 DBED C[C@H](CC(=O)N1CC[C@H](N=c2cc[nH]c(C#N)n2)C1)NC(N)=O 1096961192 QNCQJXJSWMQEJE-ZJUUUORDSA-N 317.353 -0.770 30 20 DBED N#Cc1ccc(N[C@H]2C[C@@H](NC(=O)CCNC(N)=O)C2)nn1 1097184357 XJMLRVMOIXJPCE-AOOOYVTPSA-N 303.326 -0.534 30 20 DBED C[C@@H](CNC(=O)[C@H]1COCCN1C)Nc1ccc(C#N)nn1 1097764131 BBXBWWLOLLSDIM-CMPLNLGQSA-N 304.354 -0.405 30 20 DBED C[C@@H](CNC(=O)C[C@@H]1CCNC1=O)Nc1ccc(C#N)nn1 1098097709 KZCOBRQHXWJQIA-UWVGGRQHSA-N 302.338 -0.209 30 20 DBED C[C@@H](CNC(=O)Cn1ncn(C)c1=O)Nc1ccc(C#N)cn1 1098123648 GKDIJZNGCIMXTD-JTQLQIEISA-N 315.337 -0.535 30 20 DBED Cc1cc(C#N)nc(N[C@H](C)CNC(=O)C2(C(N)=O)CC2)n1 1098226066 UTQVWJMTLGEJGV-SECBINFHSA-N 302.338 -0.161 30 20 DBED N#CCN(CCO)C1CCN(C(=O)[C@@H]2CCCNC2=O)CC1 1098399370 LQODHXZHHALZSP-CYBMUJFWSA-N 308.382 -0.679 30 20 DBED N#Cc1cncc(N[C@@H]2CCC[C@H](NC(=O)CNC(N)=O)C2)n1 1098590102 QNMGKJMPINMCHD-ZJUUUORDSA-N 317.353 -0.144 30 20 DBED C=CCNCc1cn([C@H]2CCN(C(=O)[C@H]3CCNC3=O)C2)nn1 1098698063 PDGOYBGDEDPCCP-STQMWFEESA-N 318.381 -0.537 30 20 DBED C#CCN1CC[C@@H](NC(=O)COCc2ncc(C)o2)[C@@H](O)C1 1099914018 QBUATSWQNCNBAA-OLZOCXBDSA-N 307.350 -0.316 30 20 DBED CC1(CC(=O)N[C@@H]2CCN(CC(=O)NCC#N)C[C@@H]2O)CC1 1099927910 GDUJBHMLBGLFPG-NEPJUHHUSA-N 308.382 -0.632 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CCN(CC(=O)NC(N)=O)C[C@@H]2O)C1 1099994928 YTWQEFFWWCBJFH-MNOVXSKESA-N 324.381 -0.911 30 20 DBED C=CCN1CC[C@H](NC(=O)COCc2nc(CC)no2)[C@@H](O)C1 1100072046 ODZNUNNHCKUGTA-RYUDHWBXSA-N 324.381 -0.114 30 20 DBED C#CCCN1CC[C@H](NC(=O)CNC(=O)C(C)(C)C)[C@@H](O)C1 1100107504 GNMHJCGGKGKLPU-STQMWFEESA-N 309.410 -0.277 30 20 DBED CN1C[C@@H](C(=O)NCCN(C)c2cnc(C#N)cn2)CCC1=O 1100150120 ARDSQFJNODQURC-NSHDSACASA-N 316.365 -0.231 30 20 DBED C=CCOCC(=O)N1C[C@H]2CN(C[C@@H](O)COC)C[C@@]2(C)C1 1101175457 ORMWSPDGRDGHPO-FMKPAKJESA-N 312.410 -0.023 30 20 DBED N#Cc1nccnc1N(CCNC(=O)[C@H]1CCNC1=O)C1CC1 1101419113 UUWYEKAHCOKATO-NSHDSACASA-N 314.349 -0.431 30 20 DBED CN(CCNc1ccc(C#N)nn1)C(=O)C[C@@H]1CCNC1=O 1101823151 PQGFUGXDKVJKKE-JTQLQIEISA-N 302.338 -0.255 30 20 DBED CC(=O)NCC(=O)N1C[C@@H]2CC[C@H](C1)N2c1cnc(C#N)cn1 1102182287 IFRVDMCTOIRZSY-BETUJISGSA-N 314.349 -0.336 30 20 DBED C#CCN1C[C@@H](C)[C@H](CNC(=O)COCc2nncn2C)C1 1102489373 FSTFBVHCFBUADW-CHWSQXEVSA-N 305.382 -0.351 30 20 DBED C=CCO[C@@H](C)C(=O)NC[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1102609568 DMTJUXLTNAFNEZ-HZSPNIEDSA-N 322.409 -0.099 30 20 DBED C[C@H](CNC(=O)Cn1cnnn1)CNc1ccc(C#N)nc1 1103851560 JXUSGJPOCBERKU-JTQLQIEISA-N 300.326 -0.196 30 20 DBED Cc1ccnc(C(=O)NC[C@@H](O)CNc2ccc(C#N)nn2)n1 1105802539 AXOTWRIIUCXNSF-NSHDSACASA-N 313.321 -0.351 30 20 DBED Cn1ccc(CC(=O)NC[C@@H](O)CNc2ccc(C#N)nn2)n1 1105818428 KWNXOIBEPKTSQP-LBPRGKRZSA-N 315.337 -0.787 30 20 DBED N#Cc1cnc(NC[C@@H](O)CNC(=O)Cc2cccnc2)cn1 1105820464 ZEYQUABENJKINX-CYBMUJFWSA-N 312.333 -0.125 30 20 DBED Cc1cc(C#N)nc(NC[C@H](O)CNC(=O)c2[nH]cnc2C)n1 1105888135 MWRINOCQOQQXQY-LLVKDONJSA-N 315.337 -0.109 30 20 DBED CC[C@H](C(=O)NC[C@@H](O)CN=c1cc[nH]cc1C#N)N(C)C 1105926382 UERMGFPBAVLZAS-GXTWGEPZSA-N 305.382 -0.396 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)c2cncnc2O)nn1 1106006817 DMBKSLLLMNWMHD-VIFPVBQESA-N 315.293 -0.953 30 20 DBED C=C(C)CNC[C@@H]1CN(C(=O)CNC(=O)CNC(C)=O)C[C@H]1C 1106332469 ITXBEISXIWLTPB-TZMCWYRMSA-N 324.425 -0.501 30 20 DBED CCN(CCNc1ccc(C#N)nn1)C(=O)Cn1cnnn1 1106679441 INOADDVITNDFGX-UHFFFAOYSA-N 301.314 -0.705 30 20 DBED C=CCCOCC(=O)NCc1cn(C2CN(C[C@H](C)O)C2)nn1 1107241531 YBEBJDHDJBOMTO-LBPRGKRZSA-N 323.397 -0.276 30 20 DBED C=CCOCC(=O)NC[C@@]1(C)CN(Cc2cnon2)CCO1 1107811244 KNCVRDRIVPTUMX-AWEZNQCLSA-N 310.354 -0.021 30 20 DBED C[C@@H](C#N)C(=O)NC[C@]1(C)CN(CCN2CCNC2=O)CCO1 1107820797 DBAGBGZXPDMHLY-SWLSCSKDSA-N 323.397 -0.622 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)[C@H]2COCCN2CC)C1 1108039766 FZITWJSORNHSBY-GDBMZVCRSA-N 309.410 -0.453 30 20 DBED C[C@H](CNc1ccc(C#N)nn1)NC(=O)c1cc(=O)n(C)cn1 1108186212 LUWGJIJVAAZARY-SECBINFHSA-N 313.321 -0.328 30 20 DBED CCN1CCO[C@H](C(=O)NC[C@]2(C)CN(CC#N)CCO2)C1 1108411112 WFRVCOSNCJCGSX-DZGCQCFKSA-N 310.398 -0.562 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)CCCCN(C)C)CC2=O)C1 1108587773 WSFTXAOLBMRSBQ-AWEZNQCLSA-N 320.437 -0.247 30 20 DBED CS(=O)(=O)CC(=O)N[C@H]1[C@H]2C[C@H]1N(c1nccnc1C#N)C2 1109693618 YNSDHZRYVNQQFO-XRNSZHNASA-N 321.362 -0.914 30 20 DBED C=CCCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C[C@H](NC(C)=O)C(N)=O 1111105584 GLPDXAIVAKUCRW-MQYQWHSLSA-N 322.409 -0.336 30 20 DBED CN(C(=O)C#CC1CC1)[C@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1111183824 ZGSQVSOLTBXIOM-STQMWFEESA-N 311.345 -0.230 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C(=O)NCC1CC1 1111194865 IJNRTHKSPXGTEY-KFWWJZLASA-N 319.405 -0.116 30 20 DBED COCC#CCN1CCN(C(=O)CCCn2ccnn2)CC1 1112956378 KYBVVLRSPOTLKT-UHFFFAOYSA-N 305.382 -0.148 30 20 DBED CCn1cc(C(=O)N2CCN(CC(=O)NCC#N)CC2)c(C)n1 1113389769 QUUCGMQHHPWKNN-UHFFFAOYSA-N 318.381 -0.391 30 20 DBED C[C@H](CNC(=O)C[C@@H]1CCC(=O)N1)N(C)c1cncc(C#N)n1 1113652519 YYBFVYVULUWBOM-MNOVXSKESA-N 316.365 -0.042 30 20 DBED C=CCOCCN1CCN(C(=O)C[C@H]2CC(=O)NC2=O)CC1 1113743346 HVYBOCKPRKNRQP-GFCCVEGCSA-N 309.366 -0.614 30 20 DBED C=CCN(CC=C)C(=O)CN1C[C@@H]2C(NC(=O)CC(N)=O)[C@H]2C1 1114099017 PLINZIRWKOJZLU-RYUDHWBXSA-N 320.393 -0.891 30 20 DBED C#CCOCCC(=O)NC1[C@@H]2CN(CC(=O)NC(C)C)C[C@@H]12 1114265814 JMDIIVWIKMKIMD-CHWSQXEVSA-N 307.394 -0.403 30 20 DBED C=CCCCN1C[C@H]2[C@H](NC(=O)CN(C)S(C)(=O)=O)[C@H]2C1 1114363650 HRRYJPLEFPZAJA-IMRBUKKESA-N 315.439 -0.110 30 20 DBED C=CCCCN1C[C@H]2C(NC(=O)CN(C)S(C)(=O)=O)[C@@H]2C1 1114363652 HRRYJPLEFPZAJA-VXGBXAGGSA-N 315.439 -0.110 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)[C@H]3CCCC(=O)N3)[C@@H]2C1 1114443187 XJMOUQMFFXDLQA-IJLUTSLNSA-N 320.393 -0.996 30 20 DBED COCC#CCN1C[C@@H]2C(NC(=O)c3cn(C)nc3OC)[C@H]2C1 1114662945 PWEHNBXAWOGHBN-RYUDHWBXSA-N 318.377 -0.262 30 20 DBED C=CCCCC(=O)NC1[C@@H]2CN([C@H](C)C(=O)NC(N)=O)C[C@@H]12 1114759214 DUBATGJDWHURKA-GMTAPVOTSA-N 308.382 -0.028 30 20 DBED C#CCCN1C[C@H]2[C@H](NC(=O)CN(C)S(=O)(=O)CC)[C@H]2C1 1115050095 QBCUQJHMBPUVQD-IMRBUKKESA-N 313.423 -0.662 30 20 DBED C[C@@H](CN(C)C(=O)[C@H]1CCN(C)C1)N=c1cc[nH]c(C#N)n1 1115739554 HRCOMTFOVSOLSH-RYUDHWBXSA-N 302.382 -0.019 30 20 DBED C=CCN1CCC(NC(=O)C(=O)N2CC(C(C)(C)O)C2)CC1 1117317359 USKHDQZYUAGUEU-UHFFFAOYSA-N 309.410 -0.018 30 20 DBED CN(C[C@H]1CCCCO1)C(=O)C(=O)N1CC[C@](O)(CC#N)C1 1118247484 KNCYLAMGKGQDJT-IUODEOHRSA-N 309.366 -0.109 30 20 DBED CO[C@H](C)C(=O)NC1CC2(CC(NCC(=O)NCC#N)C2)C1 1120732155 FMRBKQDUDUWBQT-VQZBUAOQSA-N 308.382 -0.322 30 20 DBED Cc1cnoc1C(=O)NC[C@@H](CO)Nc1ccc(C#N)nn1 1122003253 JSIVSXPRMLFPHM-JTQLQIEISA-N 302.294 -0.153 30 20 DBED CN1C(=O)CC[C@@H]1C(=O)NC[C@@H](CO)Nc1ccc(C#N)nc1 1122391579 PYPXZXWFJIKUHX-QWHCGFSZSA-N 317.349 -0.537 30 20 DBED CN1CC[C@H](C(=O)NC[C@H](CO)Nc2ccc(C#N)nc2)C1=O 1122431156 SVMNORMDWPVFCZ-CHWSQXEVSA-N 317.349 -0.679 30 20 DBED Cn1cc(C(=O)NC[C@H](CO)Nc2ncccc2C#N)nc1O 1122443811 AAMZJGXCIBMQEU-SNVBAGLBSA-N 316.321 -0.405 30 20 DBED C#CCN1CCN(c2nnc(-c3nc[nH]c3[N+](=O)[O-])n2C)CC1 1122907254 HVNUQSSWYSWGLB-UHFFFAOYSA-N 316.325 -0.131 30 20 DBED Cc1cc(C#N)nc(N[C@@H]2C[C@H](C)N(C(=O)CNC(N)=O)C2)n1 1123145920 HWNOUIBJVPEHOE-GXSJLCMTSA-N 317.353 -0.274 30 20 DBED CN(C[C@H](O)CNc1ccc(C#N)cn1)C(=O)Cc1nc[nH]n1 1124499128 RNFOYJVRGOFYMO-LLVKDONJSA-N 315.337 -0.455 30 20 DBED Cc1cc(N(C)C[C@@H](O)CN(C)C(=O)CC(N)=O)c(C#N)cn1 1125024345 PYZHJABOEYEIBK-GFCCVEGCSA-N 319.365 -0.607 30 20 DBED C#CCN1CCn2ncc(CNC(=O)[C@@H](C)S(C)(=O)=O)c2C1 1128397408 XJWXUVFWFOSEBJ-LLVKDONJSA-N 324.406 -0.619 30 20 DBED CC(C)C(=O)N1C[C@@H]2C[C@@H]3CN(CC(=O)NCC#N)C[C@]2(C1)O3 1131181327 SMPBOCQCRSJAJN-WOSRLPQWSA-N 320.393 -0.416 30 20 DBED CNC(=O)CC(=O)N1CC[C@H](C)[C@H](CNCC#CCOC)C1 1132774293 ZTDNKCCOUIYAEC-UONOGXRCSA-N 309.410 -0.154 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)CN2CCOCC2=O)CC[C@H]1C 1132900793 HMCKYSMFHUVYKJ-HUUCEWRRSA-N 321.421 -0.057 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)c1cnsn1)NCC(=O)NCC#N 1133779197 LWYQKVMPGILMAH-DTWKUNHWSA-N 310.383 -0.336 30 20 DBED C=C(C)CN[C@@H](C)C[C@H](C)NC(=O)CNC(=O)Cn1cncn1 1146560929 FBHJCFVSXFAXOM-STQMWFEESA-N 322.413 -0.157 30 20 DBED COCC#CCNCCNC(=O)c1cc2c(nc1O)CCOC2 1147382196 CNJOWECBGVRDHN-UHFFFAOYSA-N 319.361 -0.171 30 20 DBED CCN(C)C(=O)CN1CCCO[C@@H](CNC(=O)[C@@H](C)C#N)C1 1149397783 HCICYHXAPFXXPX-STQMWFEESA-N 310.398 -0.169 30 20 DBED C[C@@H](C(=O)NC[C@@H]1CN(CC#N)CCCO1)N1C(=O)CCC1=O 1149817102 LVTLCFDSDDIBOK-NWDGAFQWSA-N 322.365 -0.745 30 20 DBED C=CCN1CCCO[C@H](CNC(=O)CS(=O)(=O)N(C)C)C1 1150654270 VZNPBXYVVHZKDD-GFCCVEGCSA-N 319.427 -0.729 30 20 DBED C=CCCN1CCCO[C@@H](CNC(=O)CS(=O)(=O)NC)C1 1150731847 SDYOKXJTXWFNDZ-LBPRGKRZSA-N 319.427 -0.681 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)c1ccnnc1C 1154181648 CILQFASABKBJHM-GFCCVEGCSA-N 317.393 -0.025 30 20 DBED N#CCN1CC=C(CCNC(=O)CN2C(=O)CCC2=O)CC1 1161839404 QNLCSOVXPVCGQB-UHFFFAOYSA-N 304.350 -0.203 30 20 DBED C=CCn1cc(C(=O)NCCCN[C@H](C)C(=O)N(C)C)nn1 1167838340 DNCAOIKYSIHSBL-LLVKDONJSA-N 308.386 -0.350 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H]2OCCN(CC#CC)[C@@H]2C1 1176983491 UOCOGHVEJGJELF-HUUCEWRRSA-N 317.389 -0.549 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)CO[C@@H]2CCOC2)[C@H]1C 1178671710 MNSSZQVTFLEXCP-MJBXVCDLSA-N 323.393 -0.880 30 20 DBED C#CCNC[C@]1(C)CN(C(=O)[C@@H](C)NS(C)(=O)=O)C[C@H]1C 1182731819 IQLROFZBOJTERU-YRGRVCCFSA-N 315.439 -0.369 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)Cc2cc(C)nn2C)C1 1184220804 PXBNQFLIGPPTSJ-CYBMUJFWSA-N 319.409 -0.236 30 20 DBED COCC#CCNC[C@H]1CCN(C(=O)C2(C(N)=O)CC2)C[C@H]1C 1185041291 TTZFGDDZJWZCCK-ZIAGYGMSSA-N 321.421 -0.024 30 20 DBED Cn1cc(C(=O)N2C[C@H](CNCC#N)C3(CCOCC3)C2)nn1 1186368906 XWEHJNIBKSKCLG-LBPRGKRZSA-N 318.381 -0.203 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2cn(CC)cn2)C1 1187135456 PTWWHWWROOUEOS-GFCCVEGCSA-N 303.366 -0.544 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](N(C)CC(=O)NC(=O)NC2CC2)C1 1189388084 BUJWOAXCKKKHFR-CMPLNLGQSA-N 321.381 -0.333 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)C2(COC)CC2)C1 1191332237 XBJJSCLIGDXZAZ-ZDUSSCGKSA-N 307.394 -0.305 30 20 DBED C=C(C)CCN(C)[C@@H]1CCN(C(=O)CNS(=O)(=O)NC)C1 1191560553 GGMQLIBYLSPMCF-GFCCVEGCSA-N 318.443 -0.461 30 20 DBED C=CCOCC(=O)N[C@@H]1CN([C@H](C)c2n[nH]c(C)n2)C[C@H]1O 1191777466 MOWZSTUFZHXGIH-YUSALJHKSA-N 309.370 -0.462 30 20 DBED C/C=C(\C)C(=O)N[C@@H]1CN(CC(=O)N(CC)CCC#N)C[C@H]1O 1192119843 PGMRZLRBFQTJHN-AQIXGVPMSA-N 322.409 -0.124 30 20 DBED CCN1CC[C@H](N2C[C@@H](O)[C@H](NC(=O)C#CC(C)(C)C)C2)C1=O 1192813558 LGGWUKRKJSXCMD-HZSPNIEDSA-N 321.421 -0.182 30 20 DBED COCC#CCN1CCCN(C(=O)C(=O)NCC(F)F)CC1 1196389062 ZBOXLEOUOBBWBN-UHFFFAOYSA-N 317.336 -0.448 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)[C@H](C)OCCOC)C1 1196600616 VBDRQKMLZWNPHM-BFHYXJOUSA-N 316.398 -0.598 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)CNC(=O)CC2CCCCC2)C1 1199498565 PVTCNHGIPURKEE-HUUCEWRRSA-N 321.421 -0.133 30 20 DBED N#CCNC[C@H]1CN(C(=O)c2cnc3[nH]nnc3c2)CCCO1 1200696631 SHYCPPJLBHAZKM-NSHDSACASA-N 315.337 -0.303 30 20 DBED C#CCNC(=O)CN[C@@H]1C[C@@H](NC(=O)CCOC)C12CCC2 1202271420 WUUUQKSQGQJZLQ-CHWSQXEVSA-N 307.394 -0.211 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCC(NCc2nc(=O)n(C)[nH]2)CC1 1204029517 ZCBIUROSRVKIPW-NSHDSACASA-N 323.397 -0.220 30 20 DBED C[C@@H]1CN(CCOCCO)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 1206776324 MEKWCHBMZBBGJT-BXUZGUMPSA-N 306.366 -0.055 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)Cc2cc(C)[nH]n2)C1 1207777375 OTERLJPVLMTLIY-ZDUSSCGKSA-N 317.393 -0.409 30 20 DBED COCC#CCN[C@@H]1CCCN(C(=O)c2cc(=O)n(C)o2)C1 1207898099 JRHCEVSNDJEIEV-GFCCVEGCSA-N 307.350 -0.178 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCCN(C(=O)c2cncn2C)C1 1208504295 IJLSMIUKGBHZAD-OLZOCXBDSA-N 317.393 -0.248 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)CCC=C)[C@H](OC)C1 1212024472 USQGSEWXNPZYJV-MGPQQGTHSA-N 307.394 -0.094 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)COCCCC)C[C@H]1C 1214382227 JSOMXOLDPFUZJN-ZIAGYGMSSA-N 309.410 -0.011 30 20 DBED Cc1nc(C(=O)N2C[C@@H](NCC(=O)NCC#N)[C@H](C)C2)c(C)o1 1216045925 MUTAXYBQBQLDJE-BXKDBHETSA-N 319.365 -0.019 30 20 DBED CNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)C#CC(C)(C)C 1217840316 XJXFUWMCOOUUHB-QWHCGFSZSA-N 307.394 -0.307 30 20 DBED C=CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CCCS(N)(=O)=O 1218566752 VJLRWJVFZDBPSJ-NWDGAFQWSA-N 317.411 -0.847 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2noc(CC)n2)C[C@@H]1O 1221141518 UNYYCJWWGRKGNC-TUAOUCFPSA-N 324.381 -0.116 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3ccccn3)[C@@H]2C1 1221224312 VOZJSLOXVQCTFW-UKRRQHHQSA-N 312.373 -0.023 30 20 DBED C=C[C@](C)(O)CC(=O)N1C[C@H]2CCN(CC(=O)NCC#N)C[C@H]21 1221516480 QYLIYVWORYZAJM-IOASZLSFSA-N 320.393 -0.514 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@@H]2CN(C(=O)c3cnco3)[C@@H]2C1 1221721894 AAUZQSINSITSBZ-YNEHKIRRSA-N 316.361 -0.041 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1CCN(CC(=O)N(C)C)CC1 1223183219 VGRHXDDSKLZTRR-ZDUSSCGKSA-N 309.410 -0.059 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)NCC1CCN(CC(N)=O)CC1 1224752785 DWJQNXOUZUBLFE-CQSZACIVSA-N 324.425 -0.229 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)c2ccnn2C)CC1 1226414641 RVILZFXZHYOYBX-UHFFFAOYSA-N 305.382 -0.084 30 20 DBED CN(C[C@@H]1CCN1CC(=O)NCC#N)C(=O)CC[C@@H]1CCOC1 1233580275 KDITXQIKDYVIDF-KGLIPLIRSA-N 322.409 -0.024 30 20 DBED C=CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)[C@@H]1COCCN1C 1233706840 PDIIRNQVSVECJT-KGLIPLIRSA-N 324.425 -0.848 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC[C@H]1CN(C)C(=O)c1ncn(C)n1 1234058189 GXNCPSZOIGXRPC-NEPJUHHUSA-N 320.397 -0.348 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N[C@H]1CCC[C@@H]1C(=O)NC 1261151002 KKHWQTZUHOLERA-STQMWFEESA-N 303.362 -0.498 30 20 DBED C[C@@H](C(=O)O[C@@H]1COC[C@H]1n1ccnn1)n1cnc(C#N)n1 1263519090 CHOBNAYNXCQNCU-IVZWLZJFSA-N 303.282 -0.514 30 20 DBED N#CCN1CCC(NC(=O)NCc2nnnn2C2CC2)CC1 1318837273 FXXYPWXRHVBTBZ-UHFFFAOYSA-N 304.358 -0.205 30 20 DBED CC(C)(O)CCNC(=O)NCCN/C(O)=C1\N=CC=CC1=O 1321421250 UVLGNUTUKOFIPX-VAWYXSNFSA-N 310.354 -0.027 30 20 DBED C=CCN1CCC(NC(=O)C(=O)N(C)[C@H]2CCNC2=O)CC1 1323247250 RZXWWBFBBOZTKU-LBPRGKRZSA-N 308.382 -0.900 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N[C@@H](COC)C2CC2)nn1 1328099708 UGFCNGPKHPAQSI-LBPRGKRZSA-N 307.354 -0.379 30 20 DBED C#CC[C@@H](NC(=O)C(=O)NC[C@@H]1COCCN1)c1ccccc1 1328972152 IMYZWDKGWKYILX-HUUCEWRRSA-N 315.373 -0.028 30 20 DBED CC[C@@H]1C(=O)N(CC)CCN1C(=O)C(=O)N1CCO[C@H](C#N)C1 1331198104 SYWPJWVXAUUSDZ-VXGBXAGGSA-N 322.365 -0.793 30 20 DBED CC(C)CN1CCC(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)CC1 1340321821 DQJULLWFSUDFSQ-AWEZNQCLSA-N 322.409 -0.026 30 20 DBED C=C(C)Cn1c(CO)nnc1N1CCN(S(C)(=O)=O)CC1 1342052385 HBQSMEKTVQVLAE-UHFFFAOYSA-N 315.399 -0.572 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CCc2nnc(O)cc2C1 1343066921 CEKVOFIKVNHCTK-SNVBAGLBSA-N 306.322 -0.616 30 20 DBED C[C@H](C#N)CN(C)C(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1348615864 FBBWGZKTLNQLRZ-DGCLKSJQSA-N 303.366 -0.197 30 20 DBED CCS(=O)(=O)N(C)C1CCN(C(=O)C#CCOC)CC1 1350666488 GXAVCVXADYGPOL-UHFFFAOYSA-N 302.396 -0.091 30 20 DBED C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)Cn1cc(C#N)c(O)nc1=O 1362246295 SPEWEGGVMUWPAW-BXKDBHETSA-N 317.349 -0.581 30 20 DBED N#Cc1ccncc1C(=O)N1CCC(C(=O)NCCO)CC1 1363369013 WJFRUORLDVWKRL-UHFFFAOYSA-N 302.334 -0.086 30 20 DBED COC(=O)C1(NS(=O)(=O)N(C)[C@H](C)CC#N)CCOCC1 1363967262 LTDOTBOYDGWICC-SNVBAGLBSA-N 319.383 -0.223 30 20 DBED CCC[C@@H](NC(N)=O)C(=O)NCCN(C)c1cncc(C#N)n1 1366809512 PRKOOIAGORVREB-LLVKDONJSA-N 319.369 -0.262 30 20 DBED CCC(=O)NC[C@@H]1COCCN1CC(=O)N(CC)CCC#N 1368426788 OZOCHVUOFRMDEC-CYBMUJFWSA-N 310.398 -0.024 30 20 DBED C=C(Cl)CN1CC(O)(CNC(=O)c2ccc(C(N)=O)cn2)C1 1376310437 WDWTVNRLGAUXMK-UHFFFAOYSA-N 324.768 -0.291 30 20 DBED Cc1ncc(C(=O)N(C)C[C@H](O)CNC(=O)[C@@H](C)C#N)n1C 1384254230 LMNNNQMUNUOGSV-GXSJLCMTSA-N 307.354 -0.563 30 20 DBED CC(=O)NCC(=O)NC[C@H]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 1384437128 CLYWQCLQCNRHGC-KLPPZKSPSA-N 317.349 -0.353 30 20 DBED COC(=O)C[C@H]1C(=O)NCCN1C(=O)c1ccc(C#N)n1C 1411639949 DLEOGSRUCLIBHR-NSHDSACASA-N 304.306 -0.600 30 20 DBED N#Cc1cn(CCNC(=O)c2ccn(C(F)F)n2)c(=O)nc1O 1413308324 LEGGEIWWMBAINQ-UHFFFAOYSA-N 324.247 -0.158 30 20 DBED COCn1cc(NC(=O)CCn2cc(C#N)c(O)nc2=O)cn1 1418144481 NAQQMUVVSTWXEZ-UHFFFAOYSA-N 318.293 -0.350 30 20 DBED COC(=O)[C@H]1C[C@@H](C(=O)NCCn2cc(C#N)c(O)nc2=O)C1 1418536826 TYGMEBCALXCKTN-DTORHVGOSA-N 320.305 -0.864 30 20 DBED C[C@@H](C#N)C(=O)N(C)C[C@H]1CCCN1C(=O)c1c[nH]c(=O)cn1 1426313742 OLNQEAYEOOCUGX-WDEREUQCSA-N 317.349 -0.007 30 20 DBED C[C@H](C#N)C(=O)N(C)CCNC(=O)c1cccn2c(O)nnc12 1429392664 KXDMJTQYISYHON-SECBINFHSA-N 316.321 -0.217 30 20 DBED CC[C@@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)c1ncn(C)n1 1432639994 NMVVJYCVJWNXBE-JTQLQIEISA-N 315.337 -0.047 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1coc(CC2CC2)n1 1433334007 GFCRCCLCXURTBZ-GXSJLCMTSA-N 320.349 -0.006 30 20 DBED COc1ncc(NC(=O)NCC(=O)N2CCOCC2)cc1C#N 1434747809 FZEHFSNCKCCNRO-UHFFFAOYSA-N 319.321 -0.058 30 20 DBED CC(=O)N(C)CC(=O)NC[C@@H](C)NC(=O)c1ccc(C#N)[nH]1 1452496532 MWQSAZCKXPRIQK-SECBINFHSA-N 305.338 -0.401 30 20 DBED Cn1cnc(C(=O)NC2(CNC(=O)c3cc(C#N)c[nH]3)CC2)n1 1458899274 FYYNIWBPSFDQEQ-UHFFFAOYSA-N 313.321 -0.293 30 20 DBED C[C@@H](NS(=O)(=O)N1CCO[C@H](C#N)C1)c1nccc(N)n1 1464233128 QQWOZXHUXSAEAL-RKDXNWHRSA-N 312.355 -0.821 30 20 DBED CC(=O)N(C)CC(=O)NC[C@@H]1CCCN(C(=O)[C@H](C)C#N)C1 1494260647 DVTAKIZRFLXCGM-YPMHNXCESA-N 308.382 -0.021 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H](O)CNCC(=O)N2CCCC2)c1 1496958258 ARPGLSZLWSLDLH-GFCCVEGCSA-N 319.365 -0.811 30 20 DBED CC(C)c1nnnn1CC(=O)NC[C@H](C)CNC(=O)[C@H](C)C#N 1500240327 JXWROXBXHSAELH-WDEREUQCSA-N 321.385 -0.175 30 20 DBED CS(=O)(=O)C[C@H](O)CNc1c(C#N)cccc1-c1nn[nH]n1 1570929927 BSYSEQDRSGMOQL-SECBINFHSA-N 322.350 -0.444 30 20 DBED C[C@H](NC(=O)[C@H](C)NC(=O)N1CC[C@@](O)(CC#N)C1)C(=O)O 1571112948 UICVOJQUXWOALW-RVBZMBCESA-N 312.326 -0.976 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](C)N(C)c1cncc(-c2nn[nH]n2)n1 1573575970 CEKOKTNADQWYNP-IUCAKERBSA-N 315.341 -0.243 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@@H](Nc2nccnc2-c2nn[nH]n2)C1 1573585689 IEIBBOYKPILGMH-HLTSFMKQSA-N 313.325 -0.125 30 20 DBED C[C@H](C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[nH]1)[C@@H]1CCC(=O)N1 1573755496 QNEGPUAYMVOZMN-WDSKDSINSA-N 315.297 -0.685 30 20 DBED C#CCOCCNC(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 1574735643 LRHBXVSDPJIXMX-CYBMUJFWSA-N 306.370 -0.267 30 20 DBED C[C@@H](C(=O)NCCNc1ccc(C#N)cn1)N1CCNCC1=O 1575070363 YNVWCTQHOWGCOI-NSHDSACASA-N 316.365 -0.698 30 20 DBED C[C@H](O)C[C@H]1COCCN1c1cnc(-c2nn[nH]n2)c(C#N)n1 1575479647 GOGPFBJWOHWZPQ-IUCAKERBSA-N 316.325 -0.496 30 20 DBED CN1CCN(C)[C@@H](CNc2cnc(-c3nn[nH]n3)c(C#N)n2)C1 1579375028 PAMZOWWEUWOFLW-VIFPVBQESA-N 314.357 -0.814 30 20 DBED C#CC[C@@H](NS(=O)(=O)c1cc(C(=O)O)ccn1)C(=O)OC 1588424040 RGLJUVCPIRMOKK-SECBINFHSA-N 312.303 -0.377 30 20 DBED C=CCOCC(=O)NC[C@H](C)N=c1cc[nH]c(-c2nn[nH]n2)n1 1588674438 NVHQTKSLQSWIGN-VIFPVBQESA-N 318.341 -0.802 30 20 DBED Cn1cc(-c2nn[nH]n2)c(=O)n(Cc2cc(C#N)ccn2)c1=O 1592558165 RJNCYIJFAAQRBW-UHFFFAOYSA-N 310.277 -0.958 30 20 DBED N#CCSCC(=O)NCCNc1ccc(-c2nn[nH]n2)nn1 1592679171 HYRSXRYJQOVYOW-UHFFFAOYSA-N 319.354 -0.558 30 20 DBED N#CCN1CCC(NC(=O)C(=O)N2CCC[C@@H]2CC(=O)O)CC1 1601073464 WTKWSPDABDYMQT-GFCCVEGCSA-N 322.365 -0.444 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1602722286 KFBJWRITCIFZLL-NSHDSACASA-N 315.337 -0.741 30 20 DBED C=CC[C@H](CO)CNC(=O)C(=O)Nc1c(C(=O)O)cnn1C 1602837463 WAIMBCYAZZNTNK-QMMMGPOBSA-N 310.310 -0.642 30 20 DBED C[C@@H]1CCN(c2cnc(C#N)c(-c3nn[nH]n3)n2)C[C@@H]1CO 1603908568 DUMOWEHBTXJDTC-RKDXNWHRSA-N 300.326 -0.017 30 20 DBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@@]1(C(=O)O)CCCO1 1604174906 JVAICNZBFDKPHE-CQSZACIVSA-N 321.337 -0.112 30 20 DBED C#CCN1CCN(CCNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)CC1 1752371302 SLBNTYPHOFSPNK-HRCADAONSA-N 321.421 -0.595 30 20 DBED Cc1nnsc1C(=O)N[C@H]1C[C@@H](NCC(=O)NCC#N)C1 1752713648 VZDPDDAPEANBOB-DTORHVGOSA-N 308.367 -0.663 30 20 DBED C#CCNC(=O)CN1CC(NC(=O)c2cc(C3CC3)nn2C)C1 1753379193 KLRSISCNWVCBSQ-UHFFFAOYSA-N 315.377 -0.539 30 20 DBED COc1ccc(CC(=O)NC[C@@H]2CN(CC#N)CCO2)nc1 1753653153 WAIMKHIMBHMDEA-CQSZACIVSA-N 304.350 -0.027 30 20 DBED CC#CCNC[C@@H]1[C@H](C)CCCN1C(=O)CS(=O)(=O)NC 1753811830 AZBSGBKBHCEJBJ-CHWSQXEVSA-N 315.439 -0.224 30 20 DBED COCC#CCNC[C@@H](C)NC(=O)c1cnc2n1CCOC2 1754230344 PTSQRNMYZBUQHW-GFCCVEGCSA-N 306.366 -0.229 30 20 DBED C=CCNC(=O)[C@@H](C)NC[C@@H](C)NC(=O)c1cnc(O)n1C 1754238529 VJPYTHLTFDWAPK-NXEZZACHSA-N 309.370 -0.476 30 20 DBED COCC#CCNC[C@@H](NC(=O)C(=O)NCC(F)F)C1CC1 1754444085 CCPJHMRKLRGDDP-LLVKDONJSA-N 317.336 -0.498 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CCN1CCCN1C(=O)CNC1=O 1754484249 XZRBATYZXSZJAQ-CYBMUJFWSA-N 318.377 -0.468 30 20 DBED CC#CCN1CC[C@](C)(NC(=O)[C@@H](C)NS(=O)(=O)CC)C1 1754673855 IAMKOEALDAMQHP-OCCSQVGLSA-N 315.439 -0.082 30 20 DBED C#CCOCCC(=O)NC[C@]1(O)CCN(Cc2ccon2)C1 1754751016 CVJAPTGVSHPBQG-OAHLLOKOSA-N 307.350 -0.233 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)CNS(=O)(=O)NC)C[C@H]1C 1755159913 DSYQGJKPGCBDKZ-NEPJUHHUSA-N 318.443 -0.415 30 20 DBED C=CCCN1CC[C@@H](NC(=O)CNS(=O)(=O)NC)C[C@@H]1C 1755162755 YUFIRPCSPOUSGM-NWDGAFQWSA-N 318.443 -0.415 30 20 DBED CN(CC(C)(C)CNCC(=O)NCC#N)C(=O)c1cccnn1 1755284846 CQOCUMQZHISZDR-UHFFFAOYSA-N 318.381 -0.196 30 20 DBED C#CCN1CCCCC[C@H]1CNC(=O)CN1C(=O)CN(C)C1=O 1755367276 DYCKILIESXNCGB-ZDUSSCGKSA-N 320.393 -0.126 30 20 DBED C[C@H](CN(C)C(=O)C[C@@H]1CCCOC1)NCC(=O)NCC#N 1755618796 ZMKFPXHZCBDXFG-OLZOCXBDSA-N 310.398 -0.121 30 20 DBED C=CCN(C)C[C@@H](O)CN(C)C(=O)CCN1C(=O)CCC1=O 1755803143 NUWPHVKWRRSIKX-GFCCVEGCSA-N 311.382 -0.537 30 20 DBED C#CCOCCC(=O)N[C@@H](C)CN(C)C(=O)[C@@H]1COC(=O)N1 1756448552 VLOYRTVQSBRDIP-QWRGUYRKSA-N 311.338 -0.902 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H](CO)CNC(=O)/C=C(/C)C1CC1 1756506187 QBGWBFJYBKZENN-YTYACIELSA-N 308.378 -0.026 30 20 DBED CC[C@@H](C#N)C(=O)N[C@H](C)C(=O)N1CCS(=O)(=O)CC1 1771757858 GUUTXPDBXUSNFE-ZJUUUORDSA-N 301.368 -0.702 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1csc(N)n1)C2 1800451899 MWZYAWYLQPVIML-BZBKMWRSSA-N 320.374 -0.438 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)NCCC)c1=O 60892029 WPKQWGHAZVGSSW-UHFFFAOYSA-N 308.338 -0.930 30 20 DBED CNS(=O)(=O)c1ccc(C(=O)n2ncc(C#N)c2N)cc1 64446982 UQYIDPKQKICYFV-UHFFFAOYSA-N 305.319 -0.066 30 20 DBED N#CCCN(CCN1CCOCC1)CC(=O)NC[C@@H]1CCCO1 78720729 ZVKBGHXQXFZOFT-HNNXBMFYSA-N 324.425 -0.171 30 20 DBED CN1C(=O)C[C@H](NS(=O)(=O)c2ccc(CC#N)cc2)C1=O 92132426 LONIIDJVEOIEBW-NSHDSACASA-N 307.331 -0.212 30 20 DBED CC(C)(C/N=C(/N)N1CCN(c2ncccn2)CC1)C(N)=O 261986226 KACMRGXFZCUHHR-UHFFFAOYSA-N 305.386 -0.575 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)NCc1cnc(N(C)C)n1C 282720691 RQLUVHZZORSGOU-SNVBAGLBSA-N 314.415 -0.088 30 20 DBED C=CCCOCCNC(=O)C(=O)NC[C@H]1CN(C)CCN1C 286936231 LTDUVJCSWOGGIQ-ZDUSSCGKSA-N 312.414 -0.943 30 20 DBED C[C@@H]1C[C@H](/N=C(/O)N2CC[C@@H](S(N)(=O)=O)C2)CN1C1CC1 328822863 PGLHULALGPLDHH-JFGNBEQYSA-N 316.427 -0.112 30 20 DBED O=S1(=O)CCC[C@H](/N=C(/O)N2CCO[C@@]3(CCOC3)C2)C1 329918760 ZZYBYPNFKCTTPC-AAEUAGOBSA-N 318.395 -0.031 30 20 DBED CN(CC(=O)N1CCOCC1)/C(O)=N/[C@H]1CC(=O)N(C2CC2)C1 330263039 WAJOAIRQEYFPRY-NSHDSACASA-N 324.381 -0.546 30 20 DBED Cn1cc(CCCNS(=O)(=O)N2CCO[C@H](C#N)C2)cn1 337063023 IFQRFHVLUCCYFP-GFCCVEGCSA-N 313.383 -0.589 30 20 DBED CCN(CCC#N)S(=O)(=O)N[C@@H](CCSC)C(=O)NC 341667012 RASOBBWWWPNIBJ-JTQLQIEISA-N 322.456 -0.076 30 20 DBED C[C@H](C(=O)NCC(=O)NCC#N)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 344181213 RMAPEGNEQVLSRA-VWYCJHECSA-N 320.349 -0.694 30 20 DBED C=CCNC(=O)CNC(=O)Cn1cnc2sccc2c1=O 347893097 NLQPXVNWFIYPSV-UHFFFAOYSA-N 306.347 -0.124 30 20 DBED CC[C@@H](C)[C@@H](NC(=O)Cn1cncc(C#N)c1=O)C(=O)OC 351773771 MINRBEZUTCVIHD-BXKDBHETSA-N 306.322 -0.181 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N1C[C@@H](C)S(=O)(=O)[C@H](C)C1 352592762 IPNCJRAPIFAQAF-GMTAPVOTSA-N 323.440 -0.027 30 20 DBED C[C@@H]1CN(S(=O)(=O)NCCn2cnc(C#N)n2)[C@H](C)CO1 352650745 ZEOPDZNTFJUMAM-NXEZZACHSA-N 314.371 -0.907 30 20 DBED COCC(=O)N(C)CC(=O)NCC(=O)c1ccc(C#N)cc1 356165278 NPVVGPWTFYMHIC-UHFFFAOYSA-N 303.318 -0.038 30 20 DBED C=C[C@@H](CO)NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 356879163 YBQGLRUOYQATLF-NSHDSACASA-N 309.347 -0.500 30 20 DBED CN(CCC#N)S(=O)(=O)N[C@@H](CCO)C1CCOCC1 359194638 ALSRDPAXCJEDKE-LBPRGKRZSA-N 305.400 -0.156 30 20 DBED C[C@H](O)CN1CCN(S(=O)(=O)N(C)CCC#N)[C@H](C)C1 408422388 QTTGAFMCAYIRFZ-NEPJUHHUSA-N 304.416 -0.536 30 20 DBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC#CCO 412323285 INAKDVLGSFLFFS-LLVKDONJSA-N 321.358 -0.663 30 20 DBED C[C@@H]1CN(CCCNC(=O)Cn2cnc(C#N)n2)CCCO1 432547360 SIOBVLVECJWSCS-GFCCVEGCSA-N 306.370 -0.233 30 20 DBED N#Cc1ccc(S(=O)(=O)NCc2cc(C(N)=O)no2)cn1 443791966 SWRRXYVLIQOWOM-UHFFFAOYSA-N 307.291 -0.481 30 20 DBED C#CCNC(=O)CCN1CCC[C@@H](CN(C)S(C)(=O)=O)C1 491203036 RTEQUPSBUKVRJP-ZDUSSCGKSA-N 315.439 -0.271 30 20 DBED C#CCN(C)CCCNC(=O)c1cn(Cc2noc(C)n2)nn1 491693213 SUVOMZWHBWRVNM-UHFFFAOYSA-N 317.353 -0.297 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CC[C@H](O)CC2)C1=O 512676011 WYAIMASNJPAOPJ-MGCOHNPYSA-N 309.322 -0.617 30 20 DBED N#Cc1ccc(CNC(=O)CN2CC[C@H](CO)[C@@H](O)C2)cc1 521674810 PHXSCNQXIYYQMT-CABCVRRESA-N 303.362 -0.150 30 20 DBED C=CCOC[C@@H](NS(=O)(=O)c1c(C)cnn1C)C(=O)O 577219260 XLWJDCWGDOKWLK-SECBINFHSA-N 303.340 -0.337 30 20 DBED CCN(CCC#N)C(=O)CN1[C@H]2C[C@H]3[C@H]([C@@H]2O)[C@@H]2C[C@H]3[C@H](O)[C@H]21 581432968 RAAIAGMXMIGHNB-ABTAZAJSSA-N 319.405 -0.191 30 20 DBED C[C@H]1CN(C[C@@H](O)CNCCn2cnc(C#N)n2)C[C@@H](C)O1 591766634 QLRKRKGGYYCNQA-XQQFMLRXSA-N 308.386 -0.791 30 20 DBED CC[C@H](C#N)C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 593443434 ICJYIMCVLNHXAT-IJLUTSLNSA-N 315.395 -0.850 30 20 DBED COC(=O)c1coc(CNc2c(C#N)c(=O)n(C)c(=O)n2C)n1 593504075 FLNYZFOHSAVOGB-UHFFFAOYSA-N 319.277 -0.658 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N1C[C@@](C)(CO)[C@@](C)(CO)C1 599624765 WHWICJGOWDDKBW-DFBGVHRSSA-N 313.398 -0.301 30 20 DBED CC(C)(C#N)C[C@H](O)CN1CCOC[C@@H]1CNS(C)(=O)=O 599667683 SXMNGQYAISLPEA-RYUDHWBXSA-N 319.427 -0.463 30 20 DBED Cc1nc(NC(=O)C(=O)N[C@@H]2CCCN(C)C2=O)ccc1C#N 600025184 XJYMNTFMJDYJSX-LLVKDONJSA-N 315.333 -0.063 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(CCc2ccnn2C)c1=O 669963076 LXBPQAWSPLMREU-UHFFFAOYSA-N 317.349 -0.480 30 20 DBED C#CCSCCNC(=O)NCCOCCS(C)(=O)=O 743624064 PCNPZGWYPDCMCJ-UHFFFAOYSA-N 308.425 -0.287 30 20 DBED CC(C)[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1cnn(CC#N)c1 784413451 FBYARSHMXHMJGD-LLVKDONJSA-N 318.337 -0.672 30 20 DBED C#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@@H]1CNC(=O)C1 784868669 NQLMKRFKJCTDRK-JTQLQIEISA-N 319.292 -0.219 30 20 DBED Cc1cc(C#N)cnc1C(=O)NCCC(=O)NS(C)(=O)=O 816448441 CIINYXCMOBDISD-UHFFFAOYSA-N 310.335 -0.543 30 20 DBED C=CCS(=O)(=O)CCNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 823931971 JHHWYAVPUDJVCV-UHFFFAOYSA-N 310.339 -0.475 30 20 DBED COC[C@H](C)NC(=S)NN=C(C)c1cn(CC(=O)O)nn1 831644329 YFYSOTSABNUNJN-ZETCQYMHSA-N 314.371 -0.414 30 20 DBED CC(C)(C)OC(=O)C(=O)N1CCN(CC(=O)NCCC#N)CC1 844339534 MXWJGACBFYBUIR-UHFFFAOYSA-N 324.381 -0.498 30 20 DBED C#CCCN(CCOC)C(=O)Cn1nc2ccccn2c1=O 856386210 QICCPGABZDBTRX-UHFFFAOYSA-N 302.334 -0.006 30 20 DBED C#CCCCS(=O)(=O)N1CCN(c2nnc(C)n2C)CC1 867462020 IHWIVGNUFYWSDP-UHFFFAOYSA-N 311.411 -0.011 30 20 DBED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@H]1CO 889126349 SIXVCYYGYRPKNW-JTQLQIEISA-N 323.374 -0.292 30 20 DBED COC(=O)[C@](C)(CO)NC(=O)C#Cc1ccc2c(c1)OCO2 909593079 HMMSAQHQBAAPBP-HNNXBMFYSA-N 305.286 -0.193 30 20 DBED CNC(=O)[C@H](C#N)C(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O 917005264 QDJVLUPVWDZVOU-FEUHOPSXSA-N 320.349 -0.058 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]c(=O)cn1 937564916 AEPZIICCVDHASZ-UTLUCORTSA-N 301.306 -0.645 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](N(C)C(=O)Cn2cnnc2O)C1 939396795 KZLBEEQCEQRKEQ-VHSXEESVSA-N 306.326 -0.797 30 20 DBED CO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1NC(=O)c1nc(C)c[nH]1 941953696 ZKJROGZNDBKHIX-FBIMIBRVSA-N 305.338 -0.167 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H]1CNC(=O)[C@@H]1CCC(=O)N1C 944253253 NWYBDBZIESEJCU-TUAOUCFPSA-N 306.366 -0.126 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@H](CNC(=O)c2cnn(C)c2)C1 944478118 PVGMJJYGZMUWCD-CMPLNLGQSA-N 305.338 -0.463 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@H](CNC(=O)c2cccc(O)n2)C1 944535012 PCLCFZRYOPZLFI-WDEREUQCSA-N 318.333 -0.096 30 20 DBED CO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)c1nc[nH]n1 945038427 UPVNYVBRNWLMHU-GHMZBOCLSA-N 303.322 -0.826 30 20 DBED N#Cc1ccc(C(=O)NC[C@@H]2CCN2C(=O)[C@@H]2COCCO2)[nH]1 949444525 MWEXCMKGCRPUML-AAEUAGOBSA-N 318.333 -0.368 30 20 DBED C=C1CC(C)(C(=O)N(C)C2CN(C(=O)c3nnn(C)n3)C2)C1 955257406 KZTSWGHBBMYLSO-UHFFFAOYSA-N 304.354 -0.151 30 20 DBED CN1C[C@@H](C(=O)NC[C@@H]2CCCN2C(=O)C#CC2CC2)CC1=O 956007198 YBFDZKBHRRKIBG-KBPBESRZSA-N 317.389 -0.015 30 20 DBED C#CCCN1C[C@@H](O)[C@H](CNC(=O)c2cnn3ncccc23)C1 958139191 KUNJQCMGNFUNGK-IUODEOHRSA-N 313.361 -0.225 30 20 DBED COc1cc(C)cnc1C(=O)NC[C@H]1CN(CC#N)C[C@H]1O 958143964 ADLQLDDEICRMKG-NWDGAFQWSA-N 304.350 -0.055 30 20 DBED C=CCCn1cc(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)CC)C2)nn1 958371644 DJMPMSWOBFSVJX-STQMWFEESA-N 321.381 -0.092 30 20 DBED N#CCN1C[C@H](O)[C@H](CNC(=O)c2ccnc(C3CC3)n2)C1 958449391 UTOYLCMWLFMRMC-YPMHNXCESA-N 301.350 -0.100 30 20 DBED O=C(N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O)[C@@H]1CCCCO1 962308757 CFLRPLHWDBFVDA-RDBSUJKOSA-N 306.362 -0.343 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2CCCCN2C(=O)C(N)=O)nn1 964569503 UMNXQXIDRRSEAK-SNVBAGLBSA-N 320.353 -0.940 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2CN(C(=O)CC(N)=O)C[C@@H]2C)nc1 966279932 REDANDWGTYWFSL-GWCFXTLKSA-N 314.345 -0.485 30 20 DBED C[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)c1cnn(C)c1N 966399423 LLCLNKIYKZDZLE-GXFFZTMASA-N 315.377 -0.008 30 20 DBED CC(C)n1cc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)cn1 968939611 DYHFRKSCGMEOHY-RTXFEEFZSA-N 319.365 -0.075 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cnco2)C1 969187537 FNPLCUIXRPDERC-WYUUTHIRSA-N 321.333 -0.433 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)Cn3cnnn3)[C@@H]2C1 971256478 WRWIOPREFDKSPU-VXGBXAGGSA-N 318.381 -0.055 30 20 DBED N#Cc1cc(C(=O)N2CC[C@@]3(CN(CC(N)=O)CCO3)C2)c[nH]1 972353985 VLRBDSBZPHBXKK-OAHLLOKOSA-N 317.349 -0.711 30 20 DBED COc1ccc(C(=O)N2CC[C@@]3(CN(CC#N)CCO3)C2)nn1 972627551 JMHACRLGCHETNN-OAHLLOKOSA-N 317.349 -0.074 30 20 DBED Cn1cc(C(=O)N2CC[C@@]3(CN(CC#N)CCO3)C2)n(C)c1=O 972694636 OANPTGVRUORBEZ-OAHLLOKOSA-N 319.365 -0.836 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)c3cnnn3C)C2)nc1 973227997 PALVMOJZKATZBN-HAQNSBGRSA-N 324.344 -0.118 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]2CCN(C(=O)Cn3cnnn3)[C@H]2C1 975968000 LQXLLZCGQOEGBV-WOPDTQHZSA-N 317.353 -0.718 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)Cc3ccn(C)n3)[C@H]2C1 976494619 FATXBSJAFPESNR-PQFRYHKHSA-N 301.350 -0.305 30 20 DBED C[C@H](C#N)C(=O)N1CCCN(C[C@@H](O)Cn2cccn2)CC1 980840164 UPDDXASOMWYUDB-ZIAGYGMSSA-N 305.382 -0.062 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](CNC(=O)c2cnn(C)c2N)C1 983213889 GKUHJAFTNMUJSC-NXEZZACHSA-N 304.354 -0.260 30 20 DBED C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2ccc(-n3cnnn3)cn2)C1 989219631 CWJYEIIYNZYGHB-VXGBXAGGSA-N 311.349 -0.117 30 20 DBED N#Cc1ccc(C(=O)NC2CN(C(=O)C[C@@H]3CCNC3=O)C2)[nH]1 990896734 RTVLJWBPDLXCDS-VIFPVBQESA-N 315.333 -0.647 30 20 DBED C=CCn1cc(C(=O)NC2CN(C(=O)C[C@@H]3CCCO3)C2)nn1 991673601 NADRGJUEOJZIOS-LBPRGKRZSA-N 319.365 -0.026 30 20 DBED C=CCCn1cc(C(=O)NC2CN(C(=O)[C@@H](C)C#N)C2)nn1 991979208 FZFOXEQQDOBPEX-JTQLQIEISA-N 302.338 -0.046 30 20 DBED C#CCCN1CC[C@]2(NC(=O)Cn3c(O)nnc3O)CCC[C@@H]12 992451311 XQBUWDBAEUOAOP-IAQYHMDHSA-N 319.365 -0.174 30 20 DBED C=CC(C)(C)C(=O)N1CC(NC(=O)[C@@H]2CN(C(C)=O)CCO2)C1 997733884 PZBMATSOWDHSPO-ZDUSSCGKSA-N 323.393 -0.227 30 20 DBED C#Cc1cncc(C(=O)N2CC(NC(=O)[C@H]3C[C@H]3C(N)=O)C2)c1 999927224 VVTIDGXZKNHDKW-OLZOCXBDSA-N 312.329 -0.875 30 20 DBED Cn1cc(C(=O)NCC2CN(C(=O)c3ccc(C#N)[nH]3)C2)nn1 1001714664 ITUKRSVRCPIRSX-UHFFFAOYSA-N 313.321 -0.483 30 20 DBED C#CCN1CCC(C(=O)NCC2CN(C(=O)COC)C2)CC1 1002473883 MBGVQUIDLPLTMJ-UHFFFAOYSA-N 307.394 -0.447 30 20 DBED C=CCCN1CCC(NC(=O)Cn2ccc(=O)n(C)c2=O)CC1 1002956084 QDBVPRTWOHPMQZ-UHFFFAOYSA-N 320.393 -0.296 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1 1012568098 NHNIFJYRVFWMFM-NDBYEHHHSA-N 321.377 -0.630 30 20 DBED CC#CCN1CC[C@@H](NC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1 1015695855 QNJPQNRNRXCKNY-MCIONIFRSA-N 307.394 -0.164 30 20 DBED C#CCCN1CC[C@@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 1015865356 WQRMACLGGANVCJ-LLVKDONJSA-N 314.349 -0.715 30 20 DBED C[C@H](C#N)C(=O)N1CC=C(CNC(=O)[C@H]2COC(=O)N2)CC1 1017418982 CKZGMEONGKTPFJ-MWLCHTKSSA-N 306.322 -0.471 30 20 DBED C#CCCN1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1ncn(C)c1=O 1017685268 BAMMTZFZCUBKQC-BETUJISGSA-N 303.366 -0.720 30 20 DBED Cc1nc(CC(=O)N2C[C@@H]3CCN(C(=O)[C@H](C)C#N)[C@@H]3C2)n[nH]1 1022563748 BMKHXNAUFXFZQR-ADEWGFFLSA-N 316.365 -0.125 30 20 DBED CC#CCN1CCC[C@H]1CNC(=O)c1cc(=O)n2[nH]cnc2n1 1028261660 DIEIKIPCPHYVLQ-NSHDSACASA-N 314.349 -0.365 30 20 DBED C#CCN1CCC(C(=O)NC2CN([C@@H]3CCCNC3=O)C2)CC1 1031437052 UEKFUBKKQVIHIB-OAHLLOKOSA-N 318.421 -0.589 30 20 DBED COc1ccc(C#N)cc1CN1C[C@@H]2C[C@H]1CN2C(=O)C(N)=O 1032596942 XRJIOMVEVFXSPO-STQMWFEESA-N 314.345 -0.163 30 20 DBED C=CCN1CC[C@@H](N2CC[C@H](NC(=O)[C@H]3CCC(=O)N3)C2)C1=O 1032824658 KYZBWKKZXUSQFZ-YNEHKIRRSA-N 320.393 -0.758 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)[C@@H]2CCc3nn[nH]c3C2)C1 1035571179 BAEJTOHCCKIBPX-NEPJUHHUSA-N 303.366 -0.640 30 20 DBED C=CCN1CCO[C@@H](CNC(=O)c2nc(O)nc(O)c2OC)C1 1035574264 OSXWQQQBMKGFAA-VIFPVBQESA-N 324.337 -0.487 30 20 DBED C#CCCN1CCO[C@H](CNC(=O)C2CCN(C(N)=O)CC2)C1 1035601173 UYABVZISHPTVCV-CQSZACIVSA-N 322.409 -0.383 30 20 DBED C#CCN1CCO[C@H](CNC(=O)[C@H]2CCCS2(=O)=O)C1 1035611295 ROWAXXHZLCPITG-VXGBXAGGSA-N 300.380 -0.986 30 20 DBED C=CCN[C@H]1CCN(C(=O)CN2CC(=O)N(C)C2=O)C[C@@H]1C 1036256769 HTCWVZWOGOGNPC-RYUDHWBXSA-N 308.382 -0.107 30 20 DBED C#CCN[C@@H]1CCN(C(=O)CN2CCC(=O)NC2=O)C[C@H]1C 1036268779 YWTMWRBVSHFWDQ-VXGBXAGGSA-N 306.366 -0.612 30 20 DBED C#CCCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)Cn1ccc(O)nc1=O 1037494104 UTSJGYMBQQKVTC-UHIISALHSA-N 302.334 -0.839 30 20 DBED C#CCN[C@H]1CCN(C(=O)c2cnc(O)n(C)c2=O)C[C@H]1CC 1037904849 LQRHHMQHAANABL-YPMHNXCESA-N 318.377 -0.051 30 20 DBED C=CCn1cc(C(=O)NC[C@]2(O)CCN(C(=O)C3CC3)C2)nn1 1039753265 NLXRVJIZHJGGCE-OAHLLOKOSA-N 319.365 -0.433 30 20 DBED C#CCN1CCC(C(=O)NC[C@]2(O)CCN(C(C)=O)C2)CC1 1040100600 SRLWJEXJZXNOML-MRXNPFEDSA-N 307.394 -0.569 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@@](O)(CNC(=O)Cn2cncn2)C1 1040962739 OAPRLIDPPIBWNP-OAHLLOKOSA-N 321.381 -0.430 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)c2cncnc2C)C1 1041679447 WITAPPCBUMTHHF-UHFFFAOYSA-N 320.349 -0.709 30 20 DBED Cc1[nH]nc(C(=O)NCC2(O)CN(C(=O)[C@@H](C)C#N)C2)c1C 1042194499 SZWIXQYTFRQKOD-QMMMGPOBSA-N 305.338 -0.511 30 20 DBED C[C@@H]1CN(c2nccnc2C#N)C[C@H]1NC(=O)Cn1nccn1 1042243094 WSZAXVAGHDWUJE-ZYHUDNBSSA-N 312.337 -0.419 30 20 DBED C=CCCOCC(=O)N1CC(O)(CNC(=O)Cc2cc[nH]n2)C1 1042273494 QSASGUSGMRJACL-UHFFFAOYSA-N 322.365 -0.766 30 20 DBED C#CCCCCC(=O)NCC1(O)CN(C(=O)CC(=O)N(C)C)C1 1042664001 LEKCOTZGPMTMFE-UHFFFAOYSA-N 323.393 -0.652 30 20 DBED CO[C@@H]1CN(c2nccnc2C#N)C[C@H]1NC(=O)c1cc[nH]n1 1042764306 JLEMYZLSQYDPDK-VXGBXAGGSA-N 313.321 -0.295 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)c2cc[n+]([O-])cc2)C1 1042802730 NIVDROOULLWDCU-UHFFFAOYSA-N 317.345 -0.573 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)[C@H]2CCC(=O)NC2)C1 1042806084 XPHCLJQXWUVDKY-LBPRGKRZSA-N 321.377 -0.994 30 20 DBED CC[C@H](C(=O)N1CC(O)(CNC(=O)C#CC(C)C)C1)N(C)C 1042938424 WMRMCVHLPYVQEW-CYBMUJFWSA-N 309.410 -0.325 30 20 DBED CO[C@@H]1CN(c2ccncc2C#N)C[C@H]1NC(=O)c1cnn[nH]1 1043024934 GFTCCFRDSMJONN-DGCLKSJQSA-N 313.321 -0.295 30 20 DBED C=C(C)CCC(=O)NCC1(O)CN(C(=O)[C@@]2(C)CCNC2=O)C1 1043316112 WKLPEUIMPTVGGB-HNNXBMFYSA-N 323.393 -0.442 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)C2CCN(C)CC2)C1 1043708924 UMBAUNDBBMRZIR-UHFFFAOYSA-N 309.410 -0.016 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)[C@H]3CCCO3)C2)nc1 1043844204 CHXZQSOVPSRMRT-FRRDWIJNSA-N 302.334 -0.202 30 20 DBED CC(C)n1cnc(C(=O)N2CC(O)(CNC(=O)[C@@H](C)C#N)C2)c1 1045560205 TYNDQGMJRNPUMV-NSHDSACASA-N 319.365 -0.073 30 20 DBED N#CCN1CC[C@@]2(CCCCN(C(=O)[C@H]3CNC(=O)N3)C2)C1 1045961699 AEGRKRSYXHSVIA-DOMZBBRYSA-N 305.382 -0.104 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)[C@H]2OCC[C@H]2C)C1 1046777543 LYJOAWWZJPBUPL-OCCSQVGLSA-N 308.378 -0.096 30 20 DBED N#CCN1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCNC2=O)C1 1046961721 ACNNAPOQUODOTL-UWVGGRQHSA-N 300.309 -0.281 30 20 DBED CN(C(=O)c1cnc2cccnn12)[C@H]1CN(CC#N)C[C@@H]1O 1047554768 HKDOTWLMGNQFIQ-RYUDHWBXSA-N 300.322 -0.630 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2nnn(C(C)C)c2C)C1 1047580570 KVCOTCHCOFDDIL-STQMWFEESA-N 305.382 -0.082 30 20 DBED C#Cc1ccc(C(=O)N(C)[C@H]2CN(CCCO)C[C@@H]2O)nc1 1047601684 GMVSNHMXDXBXEC-GJZGRUSLSA-N 303.362 -0.438 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)SC)C1 1048335990 IAEMSIQIWAEZFQ-WOPDTQHZSA-N 316.423 -0.029 30 20 DBED Cn1nnnc1CN1C[C@H]2CN(C(=O)C#CC3CC3)C[C@H]2C1 1048810548 PDFMKSVSKTXIAW-BETUJISGSA-N 300.366 -0.486 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2ccn(C)n2)C1 1048874282 VXMGKNDJWSWSIF-STQMWFEESA-N 322.365 -0.734 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]nc2C)C1 1049155804 BXCOKHKHHZHUHS-STQMWFEESA-N 322.365 -0.436 30 20 DBED N#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)C[C@@H]1NC(=O)NC1=O 1049526430 HWXAWWKAWSBYMG-DCAQKATOSA-N 305.338 -0.827 30 20 DBED CN1C(=O)CN(CC(=O)N2CCC[C@H]3[C@H]2CCN3CC#N)C1=O 1049839090 HACWJAYAYDXRME-NWDGAFQWSA-N 319.365 -0.531 30 20 DBED CC#CCN1CCC2(CC1)CN(C(=O)C1CS(=O)(=O)C1)C2 1050529142 HQJQXWAXRDSMKR-UHFFFAOYSA-N 310.419 -0.021 30 20 DBED C=CCOCC(=O)N[C@H](C)[C@H]1CCN(C(=O)c2cn(C)nn2)C1 1050613103 VYWLBAPLMIMKKK-NEPJUHHUSA-N 321.381 -0.016 30 20 DBED N#CCN1CCOC[C@H]1CNC(=O)c1cnn2ncccc12 1050957537 MOSPXULMPMUAOA-LLVKDONJSA-N 300.322 -0.317 30 20 DBED CC#CCN1CCOC[C@H]1CNC(=O)c1cc(=O)n(C)cn1 1050966675 VFGXDRLNLMXFQO-GFCCVEGCSA-N 304.350 -0.766 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)[C@@H]1CCc2nncn2C1 1051254354 HMXIYCMHRXUAJX-OLZOCXBDSA-N 303.366 -0.709 30 20 DBED CC#CCN1CCOC[C@@H]1CNC(=O)[C@@H]1CCc2nncn2C1 1051256483 WMKHWGOZHAAXGJ-KGLIPLIRSA-N 317.393 -0.319 30 20 DBED N#Cc1nccnc1N1CC[C@H](NC(=O)c2ccon2)[C@@H](O)C1 1051632391 PYMPBMKHLSPFIT-CABZTGNLSA-N 314.305 -0.294 30 20 DBED C[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1CNC(=O)C(N)=O 1052391345 LJQCTXVJZBOTRT-WPRPVWTQSA-N 303.322 -0.804 30 20 DBED C=CCN1CC2(C1)CN(C(=O)[C@H]1CC(=O)N(CC)C1)CCO2 1053279168 GQXRAIMWVLLAIL-ZDUSSCGKSA-N 307.394 -0.046 30 20 DBED CC#CCN1CC2(CC[C@H](CNC(=O)[C@@H]3CN(C)CCO3)O2)C1 1053586888 YYQQXDTZTMGASV-CABCVRRESA-N 321.421 -0.310 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)Cc3cn(C)nc3C)CO2)C1 1053830701 JDKDVWKZKIXLBH-CQSZACIVSA-N 302.378 -0.136 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)[C@H]3CCN(C)C(=O)C3)CO2)C1 1053849799 VBWQHWOLTGDTGH-STQMWFEESA-N 305.378 -0.553 30 20 DBED C#CCCCC(=O)N1C[C@H]2CN(C(=O)CNC(C)=O)C[C@H]2C1 1055133113 YHCCEWNPDBTGPN-OKILXGFUSA-N 305.378 -0.157 30 20 DBED CC(=O)NC(C)(C)C(=O)N1C[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2C1 1055398900 VLYRKGZLPXZSFN-WCFLWFBJSA-N 320.393 -0.022 30 20 DBED N#Cc1ccc(NC[C@]23CCC[C@H]2CN(C(=O)C(N)=O)C3)nn1 1055680999 DCLLJPXYIJKBGG-BONVTDFDSA-N 314.349 -0.126 30 20 DBED O=C(C#CC1CC1)N[C@@]1(CO)CCCN(C(=O)c2nc[nH]n2)C1 1055938667 JVXASVXLMWNLPK-HNNXBMFYSA-N 317.349 -0.699 30 20 DBED Cc1nn[nH]c1C(=O)NC1[C@@H]2CN(c3nccnc3C#N)C[C@@H]12 1056361708 CNDOIMDQGGORII-RKDXNWHRSA-N 310.321 -0.361 30 20 DBED N#Cc1nc(=N[C@@H]2CCN(C(=O)c3c[nH]c(=O)cn3)C2)cc[nH]1 1056761813 HCIQTZCQUCAQPL-SECBINFHSA-N 311.305 -0.820 30 20 DBED Cc1c(C(=O)N(CCO)CCNC(=O)C#CC2CC2)cnn1C 1056974854 HXNAGAWQDVDBQQ-UHFFFAOYSA-N 318.377 -0.307 30 20 DBED C=C(C)CCC(=O)NCCN(CCO)C(=O)CCn1cncn1 1056993813 XPUSELBQOAWFLZ-UHFFFAOYSA-N 323.397 -0.038 30 20 DBED N#Cc1ccc(NC2CCN(C(=O)[C@H]3COC(=O)N3)CC2)nn1 1057320568 LLOVHQPYQGJGNI-LLVKDONJSA-N 316.321 -0.140 30 20 DBED N#Cc1cncc(N2CCC(NC(=O)[C@H]3CNC(=O)N3)CC2)n1 1057935470 GFNLWYVJQPARLG-LLVKDONJSA-N 315.337 -0.885 30 20 DBED C#CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)c1cncn1C 1058030986 WIGXXQKOTIRVCZ-LBPRGKRZSA-N 322.365 -0.991 30 20 DBED CCc1nc(C#N)cc(N2CCC(N(C)C(=O)C(N)=O)CC2)n1 1058080922 ILOWXUSHPCXKGM-UHFFFAOYSA-N 316.365 -0.177 30 20 DBED N#Cc1ccc(N2CC[C@H](NC(=O)CN3CCOCC3)C2)nn1 1058324247 BRSCMYADHWOJMN-ZDUSSCGKSA-N 316.365 -0.625 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)c1cc(C(N)=O)co1 1058656792 KLIAZQGRMPFHCK-SECBINFHSA-N 322.321 -0.911 30 20 DBED Cn1ncc(C(=O)N2[C@H]3CC[C@H]2CN(c2cnc(C#N)cn2)C3)n1 1058766007 ZCYHHYVFQMHMFA-RYUDHWBXSA-N 324.348 -0.030 30 20 DBED C=CCOCC(=O)N1CC[C@H](CCNC(=O)Cn2nccn2)C1 1059337452 IRLIUOVQLNOXII-ZDUSSCGKSA-N 321.381 -0.165 30 20 DBED N#Cc1nccnc1N[C@H]1C[C@H](NC(=O)c2c[nH]c(=O)cn2)C1 1059388076 LIXOWURPXTVIAG-KYZUINATSA-N 311.305 -0.196 30 20 DBED C#CCCCC(=O)N1CC[C@H](CCNC(=O)Cn2cnnn2)C1 1059552160 ZOZRPFRPEAACGF-ZDUSSCGKSA-N 318.381 -0.169 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](CCNC(=O)C2(NC(N)=O)CC2)C1 1060289520 ORKAVDRYFOFOIZ-WDEREUQCSA-N 321.381 -0.298 30 20 DBED C=CCOCC(=O)N1CCOC[C@@H]1CNC(=O)Cc1cc[nH]n1 1061457264 BJTOMDHVIQEGGY-ZDUSSCGKSA-N 322.365 -0.502 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)Cc1cc[nH]n1 1061846627 PJNSIRMPNOBXIQ-CMPLNLGQSA-N 305.338 -0.545 30 20 DBED C=CCCC(=O)NCC1(NC(=O)CN2CCNC(=O)C2)CCC1 1062687100 MWRVCQTZSMLEGG-UHFFFAOYSA-N 322.409 -0.461 30 20 DBED CN(C(=O)[C@H]1CNC(=O)N1)[C@H]1CCN(c2ccnc(C#N)n2)C1 1063024822 IOJRFZOMCQJJCB-VHSXEESVSA-N 315.337 -0.933 30 20 DBED N#Cc1nc(=NC[C@@H]2CCCC[C@@H]2NC(=O)C(N)=O)cc[nH]1 1064189222 PMTRBEOYIQTMRT-UWVGGRQHSA-N 302.338 -0.658 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)C[C@H]2CCC(=O)N2)CCC1 1064306281 GBIWWPXLHGZLSS-GHMZBOCLSA-N 306.366 -0.030 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)[C@]2(C)CCNC2=O)CCC1 1064540042 RSFJVHOKGLLXHZ-IINYFYTJSA-N 306.366 -0.173 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCO[C@@H](CNC(=O)C#CC2CC2)C1 1065153864 DMDFVXGYOGURCU-ZFWWWQNUSA-N 318.373 -0.218 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CCNC2=O)CCO1 1065423119 WXBURBHPRWHVBN-CHWSQXEVSA-N 321.377 -0.730 30 20 DBED C=CCO[C@@H](C)C(=O)NC[C@@H]1CN(C(=O)c2nc[nH]n2)CCO1 1065449738 OHADSIAAVGDCOV-WDEREUQCSA-N 323.353 -0.647 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(C(=O)Cc2nc[nH]n2)CCO1 1065642489 STJYGSOZRIKDPQ-GFCCVEGCSA-N 317.349 -0.896 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CN(c3nccn4nnnc34)C[C@@H]2C1 1065974926 SECQWNWNSJAKJP-GARJFASQSA-N 312.337 -0.426 30 20 DBED C=CCCC(=O)N1CCOC2(C1)CN(C(=O)c1cn(C)nn1)C2 1068346511 SYGUNLCCSYCABI-UHFFFAOYSA-N 319.365 -0.165 30 20 DBED CO[C@H](C)C(=O)N[C@H]1COC2(C1)CN(C(=O)C#CC1CC1)C2 1068732037 HLGCBHPSUBLYAH-DGCLKSJQSA-N 306.362 -0.079 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CCCN(C(=O)Cn2cncn2)C1 1071372709 UOMRYCMWNRMAFW-QWHCGFSZSA-N 321.381 -0.024 30 20 DBED CC#CCN1CCO[C@H]2CCN(C(=O)CCn3cnnn3)C[C@@H]21 1074369422 WHZVHRWQBJWUIQ-KBPBESRZSA-N 318.381 -0.612 30 20 DBED C[C@@H](CCNC(=O)[C@H]1COCCO1)NC(=O)CSCC#N 1075697000 ARNNFNHXDDWYBJ-WDEREUQCSA-N 315.395 -0.330 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3ncncc3C2)C1 1077116876 BXJUTNKXTQWARY-APHBMKBZSA-N 314.389 -0.234 30 20 DBED CCc1nc(C)c(CC(=O)N[C@@H]2CN(CC#N)C[C@H]2O)c(C)n1 1077412181 OKVCEBSIUPAOPO-ZIAGYGMSSA-N 317.393 -0.117 30 20 DBED C=CCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)Cn2ncnn2)C1 1079981210 LFONDPKMORFZKV-NSHDSACASA-N 322.369 -0.677 30 20 DBED C#CCOCCC(=O)N1CCC(CO)(NC(=O)[C@H](C)C#N)CC1 1080982109 TYHNVHNXLORJIB-CYBMUJFWSA-N 321.377 -0.344 30 20 DBED C=C(C)CCC(=O)NC[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1O 1081530812 KOYANMHQMDNSGL-MNOVXSKESA-N 307.354 -0.290 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1nc(C)c(C)[nH]c1=O 1081841986 XBZRPGHVUBFDKU-GHMZBOCLSA-N 305.338 -0.661 30 20 DBED C=C(C)CCN1C[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)[C@H](OC)C1 1082185210 STOSBTJKSBUHDD-QJPTWQEYSA-N 324.381 -0.634 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CCc1cnn(C)c1 1083283399 YSWMOIYOSDFPIJ-LSDHHAIUSA-N 302.378 -0.103 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)c2cn(C)nc2COC)C1 1083581934 QACGGMVQELBBLQ-OCCSQVGLSA-N 306.366 -0.635 30 20 DBED COCC(=O)NC[C@@H]1CN(c2cnc(C#N)cn2)CCCO1 1089512273 HDQPXGDNPJLFLG-GFCCVEGCSA-N 305.338 -0.294 30 20 DBED Cn1nnc(C(=O)N[C@@H]2CN(CC#N)CC3(CCOCC3)C2)n1 1089952396 VSXCVBCYCZBRCS-NSHDSACASA-N 319.369 -0.665 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2cc3n(n2)CCO3)[C@@H](O)C1 1090326784 LIYBYRYBVUSGFV-YPMHNXCESA-N 304.350 -0.536 30 20 DBED COCCC(=O)N[C@@H]1CN(c2ncc(C#N)cc2F)C[C@H]1O 1090361165 SLTOYBXKKDITCI-VXGBXAGGSA-N 308.313 -0.205 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cnc3[nH]c(O)nc3c2)[C@H](O)C1 1090379167 VNXGHZGOQJFCOG-CMPLNLGQSA-N 315.333 -0.538 30 20 DBED CCC[C@@H](OC)C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1O 1090511058 JLJDAEOGZLYPSQ-JHJVBQTASA-N 319.365 -0.171 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CCN(CCOC)C[C@@H]2O)nc1 1090737090 MRYOGOKRQBPULJ-HIFRSBDPSA-N 303.362 -0.126 30 20 DBED COCc1cc(N2C[C@H](O)[C@H](NC(=O)C#CC(C)C)C2)ncn1 1091096586 UQKZQZSSWJRIHC-KGLIPLIRSA-N 318.377 -0.052 30 20 DBED N#Cc1nccc(N2C[C@@H]3C(NC(=O)CCn4cncn4)[C@H]3C2)n1 1093213128 NJSPYSWYAXBRGW-QWRGUYRKSA-N 324.348 -0.419 30 20 DBED N#CCN1CC(OC2CCN(C(=O)[C@@H]3CC[C@H]3C(N)=O)CC2)C1 1093558119 ZZNSRYURSCBERZ-ZIAGYGMSSA-N 320.393 -0.287 30 20 DBED Cn1nnc2c(NCCNC(=O)c3c[nH]c(C#N)c3)ncnc21 1093558510 ZCSUEHMURYRHEF-UHFFFAOYSA-N 311.309 -0.200 30 20 DBED Cn1ccnc1COCC(=O)NCCNc1ccc(C#N)nn1 1093960206 CJQDUWWAIRDOTL-UHFFFAOYSA-N 315.337 -0.173 30 20 DBED C[C@@H](C(=O)NCCN=c1cc[nH]cc1C#N)[C@H]1CCC(=O)N1 1094133280 LTLNSTAMVZBJBF-ZYHUDNBSSA-N 301.350 -0.182 30 20 DBED C[C@@H](C(=O)NCCNc1cncc(C#N)n1)N1C(=O)CCC1=O 1094201758 PNKBHQSBDWLYID-VIFPVBQESA-N 316.321 -0.586 30 20 DBED C=CCN1CC(n2cc(CNC(=O)[C@H]3CCNC3=O)nn2)C1 1094309628 IESKVAKQNNRDTN-LBPRGKRZSA-N 304.354 -0.927 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)c3ccc(O)nn3)CC2=O)C1 1094698688 IJNMJUKIIBQNLG-JTQLQIEISA-N 317.349 -0.617 30 20 DBED C#CCCN1CC(N2C[C@H](NC(=O)c3cocn3)CC2=O)C1 1094715763 QDHJJOGRLDPGJF-LLVKDONJSA-N 302.334 -0.287 30 20 DBED CC#CCN1CC(N2C[C@@H](NC(=O)c3csnn3)CC2=O)C1 1094767297 YGUPZCBWZBYEJF-JTQLQIEISA-N 319.390 -0.424 30 20 DBED C[C@@H](C(=O)NCCCN=c1cc[nH]c(C#N)n1)[C@H]1CCC(=O)N1 1094796224 CBCPNYSBCFYMJU-GHMZBOCLSA-N 316.365 -0.397 30 20 DBED C#CCCN1CC(N2C[C@@H](NC(=O)c3[nH]cnc3C)CC2=O)C1 1094826194 CILAUCDLRZDHOC-LBPRGKRZSA-N 315.377 -0.244 30 20 DBED CC(=O)N[C@H](C)C(=O)N1CC[C@@H](N(C)c2cncc(C#N)n2)C1 1095090439 PEYUXKIYCIERIN-ZWNOBZJWSA-N 316.365 -0.090 30 20 DBED CC(=O)NCC(=O)N1CCC(Nc2cncc(C#N)n2)CC1 1095212060 AFSZGFBIHQXOHB-UHFFFAOYSA-N 302.338 -0.113 30 20 DBED C[C@H](C#N)C(=O)NCCN1CCN(c2ccc(C#N)nn2)CC1 1096277660 BWRZQQFVDOTCNW-GFCCVEGCSA-N 313.365 -0.254 30 20 DBED N#Cc1cnc(N2CC[C@@H](NC(=O)CNC(=O)C3CC3)C2)cn1 1096320331 ACMSTWRGUCLJTC-LLVKDONJSA-N 314.349 -0.431 30 20 DBED N#Cc1nccnc1N1CC[C@@H](NC(=O)CCCC(N)=O)C1 1096391101 BWILNDZMXLGRTH-SNVBAGLBSA-N 302.338 -0.301 30 20 DBED C#CCCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1nnc(O)nc1O 1097446383 TZMFDASRXOEPSA-BBBLOLIVSA-N 303.322 -0.359 30 20 DBED CNS(=O)(=O)CC(=O)NC[C@H](C)Nc1ccc(C#N)nc1 1097863976 PHBHRTJKGZCOBG-VIFPVBQESA-N 311.367 -0.581 30 20 DBED COCCOCC(=O)N1CC[C@@H](CN=c2cc[nH]c(C#N)n2)C1 1098505145 HZFQFKWJPBRQPQ-LBPRGKRZSA-N 319.365 -0.306 30 20 DBED C=CCN1CC[C@H](N2C[C@@H]3CCC[C@]3(NC(=O)C(N)=O)C2)C1=O 1099008044 DZBXPOZGCMQFKJ-MKBNYLNASA-N 320.393 -0.771 30 20 DBED Cc1cc[nH]c1C(=O)N[C@@H]1CCN(CC(=O)NCC#N)C[C@H]1O 1099798709 AYYYYMPNFRSFQF-VXGBXAGGSA-N 319.365 -0.872 30 20 DBED C#CCCN1CC[C@@H](NC(=O)COc2cc(C)on2)[C@@H](O)C1 1099884663 ARKGHZFLEYYJJT-OLZOCXBDSA-N 307.350 -0.063 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)c2c[nH]nc2C)[C@@H](O)C1 1099938514 XCWSQTSWQFFEHV-STQMWFEESA-N 321.381 -0.815 30 20 DBED CCNC(=O)CCC(=O)NCCN(C)c1ccc(C#N)nn1 1099963264 FGHWMPCEELJRGQ-UHFFFAOYSA-N 304.354 -0.183 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)COCc2nncn2C)[C@@H](O)C1 1100057985 LNFWCBRWWVSAQG-STQMWFEESA-N 323.397 -0.541 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CNC(=O)c2ccco2)[C@H](O)C1 1100096151 ANRSQMBQGGOMJU-CHWSQXEVSA-N 319.361 -0.416 30 20 DBED C#CCCN1CC[C@H](NC(=O)CS(=O)(=O)C(C)C)[C@@H](O)C1 1100116190 PNBNIKFWYCCZCY-STQMWFEESA-N 316.423 -0.616 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)[C@]2(F)CCOC2)C1 1100609592 JLCXGBPSSLZCDX-QOZQQMKHSA-N 311.357 -0.651 30 20 DBED CCN(CCNC(=O)[C@@H]1CC[C@H]1C(N)=O)c1cncc(C#N)n1 1100695250 QRPPEKHYCQUWJF-VXGBXAGGSA-N 316.365 -0.198 30 20 DBED N#Cc1cnc(N2CC[C@H](CNC(=O)CNC(N)=O)C2)c(F)c1 1100927554 KMBXNEXINHFYRK-SECBINFHSA-N 320.328 -0.297 30 20 DBED CC(C)(C(N)=O)C(=O)NC[C@H]1CCN(c2ccc(C#N)nn2)C1 1101022727 PRBXXPZDVDOJKA-SNVBAGLBSA-N 316.365 -0.198 30 20 DBED C=CCOCC(=O)N1C[C@H]2CN(CCOCCO)C[C@@]2(C)C1 1101173526 ZGAPJFPMIITXRL-ZBFHGGJFSA-N 312.410 -0.022 30 20 DBED C[C@H](C#N)C(=O)NCCN(c1ccc2nnnn2n1)C1CC1 1101320548 YAGGDTRCLYAOPN-SECBINFHSA-N 300.326 -0.236 30 20 DBED CNC(=O)NCCC(=O)N(C)CCN=c1cc[nH]cc1C#N 1101574635 VQJDMKKNKBQUJP-UHFFFAOYSA-N 304.354 -0.435 30 20 DBED C=CCCCN1CC2(C[C@H](NC(=O)C(N)=O)c3nccn32)C1 1101641294 MNNCAIBILGVNEV-NSHDSACASA-N 303.366 -0.094 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C)C#N)C1 1102784016 KXCSMYGZKFBWEE-BFHYXJOUSA-N 304.394 -0.030 30 20 DBED CC[C@H](CNC(=O)[C@@H]1CNC(=O)N1)Nc1nccnc1C#N 1103277600 LLLWJJYZQNCVRL-SCZZXKLOSA-N 303.326 -0.664 30 20 DBED C#CCCN1C[C@@H](C)[C@H](CCNC(=O)CN2C(=O)CNC2=O)C1 1103703844 HOMKNESUTCEUCB-CHWSQXEVSA-N 320.393 -0.364 30 20 DBED CNC(=O)NCCC(=O)NC[C@@H](C)CN=c1cc[nH]cc1C#N 1103929071 OCLDYMHKPPMGMV-NSHDSACASA-N 318.381 -0.142 30 20 DBED C=CCOCC(=O)N1C[C@@H](C)[C@H](CCNCc2nnn(C)n2)C1 1103988281 WDEIPHCLVJLLAS-CHWSQXEVSA-N 322.413 -0.013 30 20 DBED N#Cc1cnc(N2CCO[C@H](CNC(=O)CC(N)=O)C2)c(F)c1 1104305552 QQHZKFOXGLHPHD-SNVBAGLBSA-N 321.312 -0.711 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)[C@@H]1CCCNC1=O 1104715189 ZTUIAQIKADVYNH-GHMZBOCLSA-N 316.365 -0.445 30 20 DBED CNC(=O)NCC(=O)N(C)CCN(C)c1ccc(C#N)nn1 1105592661 SDNPSIOQECSCMC-UHFFFAOYSA-N 305.342 -0.828 30 20 DBED CCOCC(=O)NC[C@H](O)CNc1cc(C#N)nc(CC)n1 1105712777 LWEDYJBXMANEMO-LLVKDONJSA-N 307.354 -0.164 30 20 DBED N#Cc1cnc(NC[C@@H](O)CNC(=O)C2=CCOCC2)cn1 1105802178 HXSSTSDZWVYEFA-GFCCVEGCSA-N 303.322 -0.416 30 20 DBED CO[C@H](C(=O)NC[C@@H](O)CN=c1cc[nH]cc1C#N)C1CC1 1105834535 ZOLHEYYBFZHJFP-JSGCOSHPSA-N 304.350 -0.311 30 20 DBED CN1CCCC[C@H]1C(=O)NC[C@H](O)CNc1cnc(C#N)cn1 1106059692 HGHIQLXFMHPNIN-OLZOCXBDSA-N 318.381 -0.278 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)c2csnn2)C[C@H]1C 1106491518 OVGPXGDYMBKOLS-GHMZBOCLSA-N 321.406 -0.415 30 20 DBED C[C@@H]1CN(C(=O)CCCS(N)(=O)=O)C[C@H]1CNCC#N 1106612319 SVMVJAMMPNZDBA-GHMZBOCLSA-N 302.400 -0.737 30 20 DBED C[C@@](O)(CC(=O)NCc1cn(C2CN(CC#N)C2)nn1)C1CC1 1107160753 ICPZIULACLNNDC-OAHLLOKOSA-N 318.381 -0.174 30 20 DBED N#Cc1nc(=NC/C=C\CNC(=O)c2cnnc(O)c2)cc[nH]1 1107385656 TZQMHFSQKINHEM-UPHRSURJSA-N 311.305 -0.336 30 20 DBED C=CCOCC(=O)NC[C@]1(C)CN([C@H]2CCNC2=O)CCO1 1107811301 KTWBYNXGFRBUSD-SWLSCSKDSA-N 311.382 -0.715 30 20 DBED C[C@@]1(CNC(=O)C2=CCCC2)CN(CC(=O)NCC#N)CCO1 1107866836 WQGWHNDIJQWNFL-MRXNPFEDSA-N 320.393 -0.056 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)c2cc3n(n2)CCO3)C1 1108000269 RGKYHYKUGRKIII-HNNXBMFYSA-N 304.350 -0.271 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)[C@@H]1CCNC(=O)CC1 1108024841 WOPBMRYXSUZWIT-MNOVXSKESA-N 316.365 -0.397 30 20 DBED C[C@@H](CNc1ccc(C#N)nn1)NC(=O)c1cc(=O)n(C)o1 1108336052 PXPUVMNKXFKDOW-QMMMGPOBSA-N 302.294 -0.130 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)c2cncc(C(N)=O)c2)C1 1108402716 LKNQILITLDCPQP-MRXNPFEDSA-N 316.361 -0.366 30 20 DBED CN(CC(=O)N1C[C@H]2C[C@H](NCC#N)C[C@H]1C2)S(C)(=O)=O 1108700419 ZYMUYVJJFNEKMC-SDDRHHMPSA-N 314.411 -0.630 30 20 DBED C=CCN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CNC(=O)CNC(C)=O)C2 1108715304 YCLRXVZZAOFEPK-IHRRRGAJSA-N 322.409 -0.606 30 20 DBED C=CCNC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CNC(C)=O 1108872097 WOHBQOFGCDHUPD-ZZVYKPCYSA-N 322.409 -0.465 30 20 DBED C[C@@H](CN(C)c1ccnc(C#N)n1)NC(=O)[C@H]1CCCC(=O)N1 1109131868 SVGBXFDNBWWQFT-WDEREUQCSA-N 316.365 -0.042 30 20 DBED CN(CCCNc1ccc(C#N)nn1)C(=O)[C@H]1CNC(=O)N1 1109599075 XAAFLMLIDQBVAS-SNVBAGLBSA-N 303.326 -0.710 30 20 DBED CNC(=O)C1(C(=O)NCC2(Nc3cncc(C#N)n3)CC2)CC1 1110175592 NDAQHSMOYKGVPI-UHFFFAOYSA-N 314.349 -0.065 30 20 DBED C[C@H](C#N)C(=O)N[C@]1(C)CCN(c2ccc3nnnn3n2)C1 1110735496 FSHFLCCVCCRFPV-NOZJJQNGSA-N 300.326 -0.236 30 20 DBED CO[C@H](C)C(=O)NC[C@]1(O)CCN(c2ccc(C#N)nn2)C1 1111027056 ZORZDDQUDCZWJJ-QMTHXVAHSA-N 305.338 -0.559 30 20 DBED Cc1cc(N2C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)C#N)C2)nc(CO)n1 1111177133 YSMSMKFFUGUSPJ-USWWRNFRSA-N 319.365 -0.555 30 20 DBED CN(C)CCC(=O)NC[C@@H]1COCCN1c1cnc(C#N)cn1 1111719884 XYCCTWHDXKCTCF-CYBMUJFWSA-N 318.381 -0.379 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CCCN(c2cncc(C#N)n2)CC1 1111965044 QFYFJEIGGSLEQH-GFCCVEGCSA-N 316.365 -0.041 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)CCn2ccnn2)CC1 1112796266 YTZRZFHGFXSWOG-ZDUSSCGKSA-N 320.397 -0.497 30 20 DBED COCC#CCN1CCN(C(=O)[C@@H]2CN(C(C)C)CCO2)CC1 1113254475 AXDZOPGCXXGFBT-INIZCTEOSA-N 323.437 -0.110 30 20 DBED C[C@H](CNC(=O)CS(C)(=O)=O)N(C)c1ncccc1C#N 1113520928 LAXOKCZMZPBVBS-SNVBAGLBSA-N 310.379 -0.061 30 20 DBED C[C@H](CNC(=O)[C@@H]1CCNC(=O)C1)N(C)c1nccnc1C#N 1113575456 VVEFMMFIPCDQTQ-GHMZBOCLSA-N 316.365 -0.185 30 20 DBED N#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3cscn3)[C@H]2C1 1114038148 NBEZKQWRPZQKIB-GDGBQDQQSA-N 305.363 -0.557 30 20 DBED C#CCC1(C(=O)N[C@H]2[C@@H]3CN(Cc4nnnn4C)C[C@@H]32)CCC1 1114394679 GULNDSBNJMPJNQ-IMRBUKKESA-N 314.393 -0.050 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)[C@H]3CCN(C)C(=O)C3)[C@H]2C1 1114471316 DHSNJLXJFSUBQO-TTZDDIAXSA-N 319.405 -0.449 30 20 DBED C[C@@H]1CC[C@H](C(=O)NC2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]23)O1 1114856386 JOEFMKXZGXRJHE-DDHJBXDOSA-N 306.366 -0.760 30 20 DBED CN(CCOCCNC(=O)CNC(N)=O)c1ccc(C#N)cn1 1115166932 DPAQRGKWROLQTJ-UHFFFAOYSA-N 320.353 -0.809 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N1CCC[C@H](C2OCCO2)C1 1117545023 UIWSPAUIFUXZTI-RYUDHWBXSA-N 312.366 -0.085 30 20 DBED CCn1cc(CN(C)C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)cn1 1118249565 OBDGRDLGJQYLPM-HNNXBMFYSA-N 319.365 -0.262 30 20 DBED C=CCNC(=O)Cn1nnnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1120157290 ZWZWRIUIHOGXSK-FZMZJTMJSA-N 322.369 -0.641 30 20 DBED C[C@@H](CN(C)C(=O)[C@@H]1CNC(=O)N1)Nc1cnc(C#N)cn1 1120634721 PAJJWPOMSDPLOZ-WPRPVWTQSA-N 303.326 -0.712 30 20 DBED CN1CCC[C@@H]1C(=O)NC[C@H](CO)Nc1ccc(C#N)nn1 1121241293 LWNCHJQQRZESID-VXGBXAGGSA-N 304.354 -0.669 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H](CO)Nc1nc(C)ncc1C 1121353146 NAZQHNROPPIWBI-LBPRGKRZSA-N 319.365 -0.878 30 20 DBED C=CCO[C@@H](C)C(=O)NC[C@H](CO)Nc1nccnc1C#N 1121749594 PYEXMRKDTNNUEM-WDEREUQCSA-N 305.338 -0.172 30 20 DBED Cc1nonc1CC(=O)NC[C@H](CO)Nc1nccnc1C#N 1121956684 UJHOIOASWGOQCX-SECBINFHSA-N 317.309 -0.829 30 20 DBED C[C@H]1[C@H](Nc2cnc(C#N)cn2)CCN1C(=O)CNC(N)=O 1122932600 UTJNHZKHJCTYCL-WCBMZHEXSA-N 303.326 -0.582 30 20 DBED CN(C[C@H](O)CNc1ncc(C#N)cc1F)C(=O)c1nc[nH]n1 1124461134 VOGKHVMTYHIXMJ-SECBINFHSA-N 319.300 -0.245 30 20 DBED CNC(=O)CC(=O)N(C)C[C@@H](O)CN(C)c1ncccc1C#N 1125069138 FNPHSLGGVALMGM-GFCCVEGCSA-N 319.365 -0.655 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)CCC)C[C@@H]1n1ccnn1 1129521563 MGIZCVWVFJTNOG-OLZOCXBDSA-N 318.381 -0.831 30 20 DBED CC#CCN[C@@H]1CN(C(=O)Cc2ccon2)C[C@@H]1n1ccnn1 1129704318 XTTDSFPJMMYQFW-KGLIPLIRSA-N 314.349 -0.126 30 20 DBED C#CCN1C[C@@H](OC)C[C@H]1c1n[nH]c(CNC(=O)COCC)n1 1130253704 LEZQEXFCLBITHV-RYUDHWBXSA-N 321.381 -0.148 30 20 DBED C=CCN1C[C@H]2C[C@H]3CN(C(=O)CCNC(=O)NC)C[C@@]3(C1)O2 1131227230 KFRFPYOVRZGFJA-WOSRLPQWSA-N 322.409 -0.207 30 20 DBED COCCO[C@@H](C)C(=O)N1C[C@@H]2C[C@@H]3CN(CC#N)C[C@]2(C1)O3 1131274363 VLHFMNLXJGZJBU-TTZDDIAXSA-N 323.393 -0.137 30 20 DBED C[C@@H]1CC[C@@H](NC(=O)CCn2ncn(C)c2=O)CN1CC#N 1132198793 BLZDPTAAPKIOQL-VXGBXAGGSA-N 306.370 -0.535 30 20 DBED N#CCNC(=O)CNCCNC(=O)Cc1ccc(F)c(F)c1 1133042556 IMIHSBJJSIPFDI-UHFFFAOYSA-N 310.304 -0.147 30 20 DBED COCC#CCNCCNC(=O)COC[C@@H](C)N1CCCC1 1134020730 GIWZCQHUTOCESP-OAHLLOKOSA-N 311.426 -0.157 30 20 DBED CC[C@H](OC)C(=O)N1CC2(CCN(CC(=O)NCC#N)C2)C1 1147117238 QDOPDBDIQOABFV-LBPRGKRZSA-N 308.382 -0.415 30 20 DBED C=CCOCCN1CCCO[C@@H](CNC(=O)c2cn(C)nn2)C1 1149661118 XBMHMQOZIJQOIA-ZDUSSCGKSA-N 323.397 -0.162 30 20 DBED COc1ccccc1CC(=O)NCCNCC(=O)NCC#N 1150169964 IZTAPHYLOUIUTQ-UHFFFAOYSA-N 304.350 -0.417 30 20 DBED CC(C)Oc1ccc(C(=O)NCCNCC(=O)NCC#N)nc1 1153852022 SSLHLVKOVIEZRD-UHFFFAOYSA-N 319.365 -0.172 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)Cn1cncc1C 1154344670 IRCBCJUJKZKQNE-CYBMUJFWSA-N 320.397 -0.342 30 20 DBED C=CCNC(=O)CN1CC=C(CCNC(=O)c2cnn[nH]2)CC1 1160574413 TZEQFWXBTUNOIZ-UHFFFAOYSA-N 318.381 -0.141 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)c1ccc(C(N)=O)o1 1162194149 VJNJPDQKOFPHEG-JTQLQIEISA-N 322.365 -0.221 30 20 DBED N#CCNC(=O)CNCCCNC(=O)Cn1cc(Cl)cn1 1167412755 BNCCUPPCWORUMW-UHFFFAOYSA-N 312.761 -0.728 30 20 DBED C=CCC[C@H](C)NCCCNC(=O)C[C@H](NC(C)=O)C(N)=O 1167703627 BKXLOOIKKNBULJ-AAEUAGOBSA-N 312.414 -0.183 30 20 DBED C#CCNC(=O)CNCCCNC(=O)C1CCN(C(C)=O)CC1 1175687578 DDVPONFZRSLHQA-UHFFFAOYSA-N 322.409 -0.910 30 20 DBED C#CCNCCCC[C@H](C)NC(=O)c1cn(C)c(=O)nc1O 1176547903 RARAXASMMMTSCG-NSHDSACASA-N 306.366 -0.003 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)CCCC(N)=O)C1=O 1177392505 BVTLGARKVCJDOL-GFCCVEGCSA-N 310.398 -0.475 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)c2cnon2)[C@H]1C 1179751487 POTNUUNTBJWKNJ-VWYCJHECSA-N 307.354 -0.047 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2ccnn2CC)C1 1182163404 AZABSPSYNRQMIY-GFCCVEGCSA-N 303.366 -0.544 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)c2ccnn2CCOC)C1 1183507855 IZYICVILIYFHAA-CQSZACIVSA-N 320.393 -0.017 30 20 DBED C#CCNC[C@H]1CCN(C(=O)CN2CCN(C)C(=O)C2)C[C@H]1C 1184693750 UIEUCLTWAOUIJC-HUUCEWRRSA-N 320.437 -0.532 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1 1185207066 FGPFKMYWGHBFNB-GHMZBOCLSA-N 319.365 -0.735 30 20 DBED C#CCNC[C@H]1CCN(C(=O)CS(=O)(=O)NC)C[C@@H]1C 1185709979 PFUBCKZEJWXLSL-NWDGAFQWSA-N 301.412 -0.757 30 20 DBED COCC#CCN1C[C@@H]2CCN(C(=O)[C@H]3OCCO[C@H]3C)[C@@H]2C1 1188230779 KBQDNNIGQQWWDV-JONQDZQNSA-N 322.405 -0.027 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)[C@@H]2CCCNC2=O)C1 1190788782 MBFHCOJCWVDWQF-QWHCGFSZSA-N 322.409 -0.653 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2scnc2C)C1 1191217426 MENLOPGWGQIMMZ-GHMZBOCLSA-N 324.406 -0.471 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)CCN(C)CC)C1 1193278635 IGZBSXRAJQQISC-CQSZACIVSA-N 308.426 -0.390 30 20 DBED CC#CCN(C)[C@@H]1CCN(C(=O)[C@@H]2CN(C(C)=O)CCO2)C1 1193786063 DINNGWNYWQADEV-CABCVRRESA-N 307.394 -0.210 30 20 DBED C=CCC(C)(C)C(=O)N[C@@H]1CN([C@@H]2CCC(=O)NC2=O)C[C@H]1O 1196473819 CGBSVOPSBLVHOI-IJLUTSLNSA-N 323.393 -0.445 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CN(CC(=O)NC(C)C)C[C@H]1O 1199312958 IESLQJBIQSPUTL-YNEHKIRRSA-N 313.398 -0.737 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2cnnn2C)C[C@H]1O 1199313357 KAECZOGHOLCXDH-RAIGVLPGSA-N 309.370 -0.933 30 20 DBED C#CCNC(=O)CNC[C@H]1CN(C(=O)[C@@H](C)C#N)CCCO1 1200116538 XQFWVNMYWQSZOD-STQMWFEESA-N 306.366 -0.897 30 20 DBED Cn1ccc(=O)c(C(=O)N2CCCO[C@@H](CNCC#N)C2)c1 1200943751 BJQVCJXICQQXME-LBPRGKRZSA-N 304.350 -0.270 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)c2cn(C)c(=O)cn2)CCCO1 1201009431 GQTAUOXUUMIDHN-CYBMUJFWSA-N 318.377 -0.376 30 20 DBED C=CCN[C@H]1C[C@@H](NC(=O)CNS(=O)(=O)NC)C12CCC2 1203232511 WNEIFQQDCHNZHE-WDEREUQCSA-N 316.427 -0.757 30 20 DBED C=C(C)CN1C[C@@H](NC(=O)C[C@H](NC(C)=O)C(N)=O)[C@H](C)C1 1209197651 HAKPRRUPCXADQP-KGYLQXTDSA-N 310.398 -0.621 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2[nH]cnc2C)[C@H](C)C1 1211482259 LMWAACIKVSGIMB-ZYHUDNBSSA-N 303.366 -0.482 30 20 DBED COCC#CCN1C[C@@H](NC(=O)[C@@H](COC)OC)[C@H](OC)C1 1213414423 OXTWPZWQWTWFEY-MGPQQGTHSA-N 314.382 -0.887 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@@H](NCC(=O)NCC2CC2)[C@H](C)C1 1214602190 LQTQPRAPJFXXEF-UMVBOHGHSA-N 321.421 -0.013 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2[C@@H](C1)OCCN2C(=O)COCC 1217242391 ORBXCVKFEZZDMQ-MELADBBJSA-N 323.393 -0.928 30 20 DBED C=CCCC(=O)N1CCO[C@@H]2CN(CC(=O)NC(N)=O)C[C@@H]21 1217475950 NMYTUONSXVCEBP-WDEREUQCSA-N 310.354 -0.941 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2C2CCC2)C1 1220517130 XRRUALXKOICEKG-YJNKXOJESA-N 321.421 -0.114 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)C[C@@H](C)N2CCCC2=O)C1 1220753452 IBZZKGDCQNQMHY-MCIONIFRSA-N 307.394 -0.428 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CN(CCn2cccn2)C[C@@H]1O 1221146021 SHZYNWQMNWGLBF-MJBXVCDLSA-N 308.382 -0.365 30 20 DBED C=C[C@@](C)(O)CC(=O)NC1CCN(CCN2CCNC2=O)CC1 1227124016 LKVPUGSLLMKBQS-MRXNPFEDSA-N 324.425 -0.081 30 20 DBED CCN(C)CCC(=O)NC1CCN(CC(=O)NCC#N)CC1 1229896063 UCWIDTJVXFTFGJ-UHFFFAOYSA-N 309.414 -0.451 30 20 DBED C#CCNC(=O)CC(=O)N(C)C[C@H]1CCN1Cc1n[nH]c(C)n1 1233811674 ZRYOQVRRUPRYJU-GFCCVEGCSA-N 318.381 -0.715 30 20 DBED CC#CCN1CC[C@@H]1CN(C)C(=O)[C@@H](C)NS(=O)(=O)CC 1234446029 MQJSNOMHJJMHJG-CHWSQXEVSA-N 315.439 -0.130 30 20 DBED COC[C@](C)(C#N)NC(=O)CS[C@@H]1CCS(=O)(=O)C1 1252999358 AOGPWLAOXGURDF-KOLCDFICSA-N 306.409 -0.048 30 20 DBED CC(C)CC(=O)N1CCN(C(=O)NCC(=O)NCC#N)CC1 1261099867 AGNHZVFRRUCCTP-UHFFFAOYSA-N 309.370 -0.474 30 20 DBED COCC#CC(=O)N1CCC[C@@H](n2cc(C(=O)OC)nn2)C1 1261737742 WFRYWFAPYQNSNC-LLVKDONJSA-N 306.322 -0.122 30 20 DBED C#CCC[C@@H](O)CNC(=O)NCCCN1C(=O)NC(C)(C)C1=O 1263759396 AEZRJDIVISQYDL-LLVKDONJSA-N 324.381 -0.220 30 20 DBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N(C)[C@@H]1CCNC1=O 1324181834 QRHHVQFOCVVOBP-TUAOUCFPSA-N 309.366 -0.569 30 20 DBED C[C@@H]1C[C@H](CO)CN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)C1 1326229540 LHQCAMBQXWMOAB-TYNCELHUSA-N 309.366 -0.660 30 20 DBED N#C[C@@]1(F)CCN(C(=O)C(=O)N[C@@H]2CCc3c[nH]nc3C2)C1 1326641611 FPYXCYYWIMKSKM-YGRLFVJLSA-N 305.313 -0.153 30 20 DBED Cc1[nH]c2ccnn2c(=O)c1CC(=O)N1CCN(CC#N)CC1 1329194219 NQMIIAVMQQAADL-UHFFFAOYSA-N 314.349 -0.459 30 20 DBED CN(CC(C)(C)CO)C(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1329452354 HVLFKBOAJMGYSU-ZDUSSCGKSA-N 322.409 -0.338 30 20 DBED CCN(C(=O)C(=O)Nc1cc(C)c(C#N)cn1)[C@H]1CCNC1=O 1332894536 SJBNARMKKZTLGZ-NSHDSACASA-N 315.333 -0.063 30 20 DBED C#CCSCCn1nnnc1N1CCN(C(=O)N(C)C)CC1 1334667281 HVFLQBRMOHSABJ-UHFFFAOYSA-N 323.426 -0.157 30 20 DBED N#CCOc1ccc(NC(=O)C(=O)N(CCO)CCCO)cc1 1343337992 WRCTYPUBOFELQE-UHFFFAOYSA-N 321.333 -0.269 30 20 DBED C#CCN(C(=O)C(=O)N1CCC(C(=O)NOC)CC1)C(C)C 1345815793 LBUBDYKLWZWKBY-UHFFFAOYSA-N 309.366 -0.227 30 20 DBED C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)OCC(=O)NC1(C#N)CCC1 1346189527 IJEPYDGCBXQPJH-BXKDBHETSA-N 323.349 -0.632 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(CC)C2CCNCC2)C1=O 1346451849 QUXGJYYFPSXAFP-UHFFFAOYSA-N 322.365 -0.436 30 20 DBED Cc1nc([C@@H]2COCCN2C(=O)NCC(=O)NCC#N)no1 1346658443 NWKMCXMEGDTMOR-VIFPVBQESA-N 308.298 -0.899 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N[C@@H](C)[C@H](C)N1CCOCC1 1347010586 AJTJJADJRYGIBN-RWMBFGLXSA-N 313.398 -0.471 30 20 DBED CO[C@H](C)CN(C)C(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1351845674 BJAPDCGCVPLVHT-YPMHNXCESA-N 308.382 -0.322 30 20 DBED C[C@H](NC(=O)Cn1cc(C#N)c(O)nc1=O)C(=O)OC(C)(C)C 1362531083 SLQVMLBTDBXAPI-QMMMGPOBSA-N 322.321 -0.333 30 20 DBED C[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)CNc1ccc(C#N)cn1 1364880363 TYVQARFOXPXMQL-KOLCDFICSA-N 308.363 -0.086 30 20 DBED C[C@@H](C#N)C(=O)N(C)C[C@@H]1CCCN1C(=O)CN1CCOCC1 1380222736 ZHKCGHKMXZVHJH-KBPBESRZSA-N 322.409 -0.072 30 20 DBED COCCN(CCNC(=O)c1cnns1)C(=O)[C@@H](C)C#N 1383305069 RZOVWCKVNMRUDR-VIFPVBQESA-N 311.367 -0.097 30 20 DBED CCc1nc(C(=O)N(C)C[C@@H](O)CNC(=O)[C@@H](C)C#N)co1 1384220619 QMLKXGWWUVLPFM-UWVGGRQHSA-N 308.338 -0.054 30 20 DBED C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)CCn1ccnn1 1386710346 GFMMPHMJYWNMGA-JTQLQIEISA-N 315.337 -0.197 30 20 DBED C[C@H](C#N)C(=O)N1CCN(CCN(C)C(=O)c2cnn[nH]2)CC1 1388811065 MPULKSIPMKIYMN-LLVKDONJSA-N 319.369 -0.819 30 20 DBED C[C@H](CNCc1cc(C#N)ccc1F)NC(=O)Cn1ncnn1 1401619633 QIEZADAQFCBOKK-SNVBAGLBSA-N 317.328 -0.022 30 20 DBED CC(=O)N1CC(C(=O)NC[C@@H](NC(=O)[C@@H](C)C#N)C(C)C)C1 1409863809 JAVAGRXRWLZMFC-GXFFZTMASA-N 308.382 -0.119 30 20 DBED COCCN(CCNC(=O)[C@@H](C)C#N)C(=O)[C@@H]1CCC(=O)NC1 1413513382 FKTNLJRSUGZCNK-NWDGAFQWSA-N 324.381 -0.737 30 20 DBED CC(C)NC1(CO)CCN(c2[nH]c(=O)n(C)c(=O)c2C#N)CC1 1413896177 UOOVLZDVORKGQO-UHFFFAOYSA-N 321.381 -0.725 30 20 DBED CCS(=O)(=O)C[C@@H](C)Nc1[nH]c(=O)n(C)c(=O)c1C#N 1421086059 ZGGYBBYJGOEVES-SSDOTTSWSA-N 300.340 -0.820 30 20 DBED C[C@@H](C#N)C(=O)NCC1CN(C(=O)c2cccn3nnnc23)C1 1432475794 IPLWYRLQCOMPLC-VIFPVBQESA-N 313.321 -0.528 30 20 DBED CC[C@H](CNC(=O)CS(=O)(=O)CC)NC(=O)[C@H](C)C#N 1432711010 ITWJUTUZXSBFMW-NXEZZACHSA-N 303.384 -0.408 30 20 DBED Cc1nn(CC(=O)[C@@H]2CCS(=O)(=O)C2)c(=O)c(C#N)c1C 1434453666 RIKLEDPZZSEVRI-SNVBAGLBSA-N 309.347 -0.264 30 20 DBED C[C@H](CN(C)C(=O)c1cc(C#N)c[nH]1)NCc1nnnn1C 1441513294 ZHKDXLIKQGLFNM-SECBINFHSA-N 302.342 -0.340 30 20 DBED CCC(=O)NCC(=O)N[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1OC 1445619063 NESXLGUTPMYEIC-GMTAPVOTSA-N 310.354 -0.986 30 20 DBED CO[C@@H](C(=O)NC[C@@H](O)CNC(=O)c1cc(C#N)c[nH]1)C1CC1 1452321864 DCZNIVNIZFPCLO-WCQYABFASA-N 320.349 -0.482 30 20 DBED C[C@@H](CNC(=O)C[C@H]1CCC(=O)N1)NC(=O)c1cc(C#N)c[nH]1 1452764885 NMTQORFFCWNVIE-GXSJLCMTSA-N 317.349 -0.210 30 20 DBED N#Cc1cn(CC(=O)N2CCCN3CCC[C@H]3C2)c(=O)nc1O 1464576315 FLZVSPBBVRJNNH-LBPRGKRZSA-N 317.349 -0.483 30 20 DBED C[C@@H](CNCc1ccc(C#N)s1)NC(=O)Cn1ncnn1 1483228189 BWSRSHPLJOLMLW-VIFPVBQESA-N 305.367 -0.099 30 20 DBED C=CCn1cc(C(=O)N2CCCC[C@H]2CN[C@H](C)C(N)=O)nn1 1491265970 OEHCDXPAZBRWQL-NEPJUHHUSA-N 320.397 -0.078 30 20 DBED COc1cnc(C(=O)N(C)C[C@H](O)CNC(=O)[C@@H](C)C#N)nc1 1511579298 MTGWRXQUIXIBCO-VHSXEESVSA-N 321.337 -0.806 30 20 DBED CC[C@@H](CNC(=O)CCNS(C)(=O)=O)NC(=O)[C@@H](C)C#N 1531245811 ATHVVAOSWNBXBY-UWVGGRQHSA-N 318.399 -0.904 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](Nc2ccc(-c3nn[nH]n3)nn2)C1 1573564170 HHEJALBDOCJTBC-DTWKUNHWSA-N 313.325 -0.171 30 20 DBED C#CCN(C(=O)CN(C)CC(=O)NC(C)C)C1CCNCC1 1574583995 RZGZOGXTUZGGRD-UHFFFAOYSA-N 308.426 -0.343 30 20 DBED COC[C@H](N)C(=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1579082149 RRNDJWQARIWFPX-LBPRGKRZSA-N 321.333 -0.136 30 20 DBED CS(=O)(=O)C1(CNc2cnc(C#N)c(-c3nn[nH]n3)n2)CC1 1580155567 ZKKGAKYAQLCDTG-UHFFFAOYSA-N 320.338 -0.483 30 20 DBED N#CCN[C@H]1C[C@@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1581858744 UFXNBDLOTIPKIK-DTORHVGOSA-N 300.326 -0.184 30 20 DBED C#CCN(C)C[C@@H](O)CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 1588349173 GIMXQSRHVOQIBM-LLVKDONJSA-N 317.353 -0.807 30 20 DBED C#C[C@H](NC(=O)C(=O)NC[C@@H](CC(=O)O)C1CC1)[C@@H]1CCCO1 1588370867 PHFUQBQTXIQNPT-AGIUHOORSA-N 322.361 -0.100 30 20 DBED C=C(C)C[C@@H](CO)NS(=O)(=O)c1ccc(-c2nn[nH]n2)nc1 1588404222 FRDFMAUDYIJSLQ-VIFPVBQESA-N 324.366 -0.133 30 20 DBED C#CC[C@H](NC(=O)[C@H]1C[C@H](O)CN1c1ccncn1)C(=O)O 1588404822 AHVIWPFQMWVXKR-GARJFASQSA-N 304.306 -0.991 30 20 DBED C=C[C@H](O)C(=O)N1CCc2c(sc(N)c2-c2nn[nH]n2)C1 1588525408 HEELETPMCXYIGX-ZETCQYMHSA-N 306.351 -0.058 30 20 DBED C=C1CC(C)(C(=O)NC[C@@H](CO)N=c2cc[nH]c(C(=O)O)n2)C1 1588643629 OSTURQUEEXUZBT-JTQLQIEISA-N 320.349 -0.158 30 20 DBED C=CCO[C@@H]1CCN(C(=O)Cn2cnc(-c3nn[nH]n3)n2)C1 1588665244 ICTIKNMHVTVNBN-SECBINFHSA-N 304.314 -0.738 30 20 DBED C[C@H](NC(=O)[C@H](C)NC(=O)N1CCO[C@@](C)(C#N)C1)C(=O)O 1599895962 DXLLEMMJXUZBQY-RVBZMBCESA-N 312.326 -0.712 30 20 DBED Cc1cc(C#N)cnc1C(=O)N1CCNC(=O)[C@@H]1CC(=O)O 1600076252 QDYRIKAOSYXBQA-JTQLQIEISA-N 302.290 -0.323 30 20 DBED N#CC1(NC(=O)CN2CC[C@]3(CC(C(=O)O)=NO3)C2)CCC1 1601057262 QPOLTHVWZRLRQB-AWEZNQCLSA-N 306.322 -0.146 30 20 DBED C#CC[C@H](COC)NC(=O)C(=O)Nc1cnn(CC(=O)O)c1C 1602683532 RAKPMNYLEKBNTM-SNVBAGLBSA-N 322.321 -0.631 30 20 DBED CC(C)C[C@@H](CNC(=O)Cn1cc(C#N)c(O)nc1=O)C(=O)O 1603009020 OUZGSKNCTPAIQH-VIFPVBQESA-N 322.321 -0.316 30 20 DBED CCN1CCC[C@@H](Nc2cnc(-c3nn[nH]n3)c(C#N)n2)C1=O 1604340459 LBSIHJFPHIIFEO-MRVPVSSYSA-N 313.325 -0.049 30 20 DBED N#Cc1cn(CCC(=O)N(CC(=O)O)C2CC2)c(=O)nc1O 1608223215 ROLOVHSHNBRUFE-UHFFFAOYSA-N 306.278 -0.714 30 20 DBED C=CCN1CC[C@H](N(C)S(=O)(=O)C[C@@H](C)C(=O)O)C1=O 1609373816 REZDMEWPVDSEQI-ZJUUUORDSA-N 304.368 -0.244 30 20 DBED C#CCN1CCN(CCNC(=O)c2cncc(OC)n2)CC1 1752375053 ROPMIMSGDYWGMN-UHFFFAOYSA-N 303.366 -0.534 30 20 DBED C=CCNC(=O)[C@H](C)N[C@H]1C[C@@H](NC(=O)[C@H]2CCNC(=O)C2)C1 1752747873 FASZNOJCDNRLSB-ZDEQEGDKSA-N 322.409 -0.560 30 20 DBED CO[C@@H](C(=O)N1CCC[C@@H](N(C)CC(=O)NCC#N)C1)C1CC1 1752990016 NYYLZILNWQVPMG-UKRRQHHQSA-N 322.409 -0.026 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@H](CNC(=O)Cn2ccnc2)C1 1753141500 YUNUHUDSOVHBOE-ZIAGYGMSSA-N 317.393 -0.541 30 20 DBED C#CCO[C@@H](C)C(=O)NCCN(CCC)[C@@H]1CCC(=O)NC1=O 1753143326 PACPHLQRFOPGRC-QWHCGFSZSA-N 323.393 -0.342 30 20 DBED CN(CCN1CCN(CC#N)CC1)C(=O)[C@H]1CCNC(=O)C1 1753342332 QLLOECYWZZNSIT-ZDUSSCGKSA-N 307.398 -0.888 30 20 DBED C=CCNC(=O)CN1CC(NC(=O)c2c3c(nn2C)CCC3)C1 1753391036 GBADPNWKIKGXNE-UHFFFAOYSA-N 317.393 -0.375 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(Cc2cn(C)nn2)CCO1 1753649716 HWDQMTCFAGTRSS-AWEZNQCLSA-N 305.382 -0.064 30 20 DBED C=C(C)CCC(=O)N(CC)CCNCC(=O)N1CCNC(=O)C1 1754047317 GZWKZIONZCJWFA-UHFFFAOYSA-N 324.425 -0.261 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@@H](NC(=O)c1[nH]cnc1C)C1CC1 1754461911 XKEVEKQDKLPSHT-WCQYABFASA-N 317.393 -0.046 30 20 DBED CNC(=O)NCCC(=O)N[C@@H]1CCN(CC#CCOC)[C@H](C)C1 1755159276 FPKQYOKJLLGMOI-ZIAGYGMSSA-N 324.425 -0.076 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](C)N(C)Cc1nc(=O)n(C)[nH]1 1755316924 VRAAAUBFVAHMPJ-UTUOFQBUSA-N 323.397 -0.364 30 20 DBED Cn1nccc1CN1CC(CCO)(NC(=O)C#CC2CC2)C1 1755331266 IFLPIMMDHGFVOQ-UHFFFAOYSA-N 302.378 -0.114 30 20 DBED C[C@H](NCC(=O)NCC#N)[C@H]1CN(C(=O)C#CC2CC2)CCO1 1755441506 GSESBLBNEMWSAZ-GXTWGEPZSA-N 318.377 -0.755 30 20 DBED C=CCN[C@@H](C)[C@@H]1CN(C(=O)CS(=O)(=O)N(C)C)CCO1 1755448740 WQKMEPBULGDCSB-RYUDHWBXSA-N 319.427 -0.731 30 20 DBED N#CCNCCCOCCNC(=O)c1cnn2ncccc12 1755553716 MGZICFWMPOXXSO-UHFFFAOYSA-N 302.338 -0.021 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H](CO)NCc2ncccn2)nc1 1755644852 GCBZZECJRIBPFG-ZDUSSCGKSA-N 311.345 -0.267 30 20 DBED C#CCNC(=O)CNC[C@H]1CC[C@H](NC(=O)c2cc[nH]n2)C1 1755728039 CDKWMMVVPFWYQX-RYUDHWBXSA-N 303.366 -0.353 30 20 DBED CCc1nc[nH]c1C(=O)N(C)C1CC(NCC(=O)NCC#N)C1 1755864592 RXCDLBJWTWPBDL-UHFFFAOYSA-N 318.381 -0.196 30 20 DBED C=CCCCC(=O)N1CC(CCO)(NC(=O)[C@H]2C[C@H]2C(N)=O)C1 1756088879 JEYARVXTSNXKFU-NEPJUHHUSA-N 323.393 -0.456 30 20 DBED C#CCOCCC(=O)NCC1(NC(=O)C(N)=O)CCCCC1 1756114496 UVKHZLQJKONPRZ-UHFFFAOYSA-N 309.366 -0.553 30 20 DBED C=CC(C)(C)CC(=O)N[C@H](CO)CNC(=O)CNC(=O)OC 1756506134 OOIYVINXUCVCCA-JTQLQIEISA-N 315.370 -0.462 30 20 DBED C=C(C)CCC(=O)N1C[C@H](O)[C@H](NC(=O)[C@H](C)n2cncn2)C1 1757167383 UHJQJGLCMGHRKJ-XQQFMLRXSA-N 321.381 -0.117 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1[nH]nnc1C)CCO2 1783049234 TXCGOKBRWIJOND-CQSZACIVSA-N 303.322 -0.810 30 20 DBED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)CC(N)=O)C[C@@H]21 1790789548 DLMMSJMUNHIZPD-VOAKCMCISA-N 321.377 -0.889 30 20 DBED Cn1ncnc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CC#N 1795461536 HQMPLSWJJIZMAA-JGPRNRPPSA-N 302.338 -0.019 30 20 DBED C[C@@H](S)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CNC(=N)N 1795984711 NGDKULCEACNALI-DOLQZWNJSA-N 313.427 -0.574 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)CC(C)=O)C2 1800454890 OHWXHLJYHUTBJU-DNVSUFBTSA-N 306.362 -0.176 30 20 DBED C#CCCN1CCN(S(=O)(=O)CCCC(=O)OC)CC1 118428386 BQKFGYGSWMWXJS-UHFFFAOYSA-N 302.396 -0.090 30 20 DBED CN/C(N)=N/CCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] 195522965 BZLSQRGAKDIMMK-UHFFFAOYSA-N 315.355 -0.056 30 20 DBED N#C[C@@H]1CN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CCO1 264465673 HLLDBNVVDVEYBN-SNVBAGLBSA-N 312.307 -0.029 30 20 DBED N#C[C@H]1CN(C(=O)[C@@H]2Nc3ccccc3S(=O)(=O)N2)CCO1 267366632 IAPLZBAUXQTHCD-JOYOIKCWSA-N 322.346 -0.533 30 20 DBED C=CC[C@@H](CC)NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 281128885 TVLVEZGHOVDQGQ-SNVBAGLBSA-N 319.365 -0.095 30 20 DBED C#CCN(CC#N)C(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 282041338 QWNACSPOOICUHF-VXGBXAGGSA-N 323.374 -0.993 30 20 DBED CCn1c(O)nc2cc(C(=O)NCC#CCO)ccc2c1=O 282995317 VCEXONXLAPVUAJ-UHFFFAOYSA-N 301.302 -0.153 30 20 DBED C=CCN(CC=C)C(=O)CN1[C@H](C)C(=O)N(C)S1(=O)=O 283022205 MIOBDCVGNPZGIZ-SNVBAGLBSA-N 301.368 -0.406 30 20 DBED C=CCN1CCC(NC(=O)C(=O)N2C[C@@H](C)[C@H](CO)C2)CC1 286495122 KDEOJOLSQCYCNK-OLZOCXBDSA-N 309.410 -0.160 30 20 DBED N#Cc1cncc(S(=O)(=O)N[C@H](Cc2c[nH]cn2)C(=O)O)c1 319968513 RBXVLODBIDYOPK-LLVKDONJSA-N 321.318 -0.349 30 20 DBED O=C1CN=C(O)N1CC/N=C(/O)N1CCN(C2CCC2)CC1 329318935 DLTDVDHKBRZBTB-UHFFFAOYSA-N 309.370 -0.173 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCN(CCO)CC1 330380620 UXUSROOCONEFBX-GFCCVEGCSA-N 304.416 -0.677 30 20 DBED C/N=C(/O)NCC(=O)N(C)CC1CCN(C[C@@H](C)O)CC1 330630869 DUDOCAMLXJOVKR-LLVKDONJSA-N 300.403 -0.329 30 20 DBED CCC/N=C(/O)NC(=O)CN1CCO[C@@H](Cn2cncn2)C1 330653929 LSLHPLBVLWKMLT-LLVKDONJSA-N 310.358 -0.581 30 20 DBED N#CCCCC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 330912462 ZQZINXODBTVBDD-UHFFFAOYSA-N 320.349 -0.500 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CCN2C(=O)CC[C@@H]2C1 336887135 KNKOLABYYUULGE-LLVKDONJSA-N 300.384 -0.227 30 20 DBED C[C@H](NS(=O)(=O)N1CCO[C@H](C#N)C1)C(=O)NC(C)(C)C 336904534 DHKSAKVWRJWHJF-VHSXEESVSA-N 318.399 -0.652 30 20 DBED CCOC(=O)[C@H](C)N(C)S(=O)(=O)N1CCO[C@H](C#N)C1 337083733 BYBYPNMIBOVSCI-VHSXEESVSA-N 305.356 -0.661 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)NC[C@H](O)C1CCOCC1 337971947 PQEKVOXJZNIGIV-JQWIXIFHSA-N 305.400 -0.158 30 20 DBED COC(=O)[C@H]1CC[C@@H](NS(=O)(=O)N2CCO[C@@H](C#N)C2)C1 410402136 AWNXGLSFLQXVCQ-AXFHLTTASA-N 317.367 -0.613 30 20 DBED CN([C@H]1CCN(S(C)(=O)=O)C1)S(=O)(=O)CCCCC#N 490075196 KPFQNAWKIZKFAM-NSHDSACASA-N 323.440 -0.024 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@H](O)c2ccccc2)CC1 491707740 NUXNLRJKKBOKDQ-MRXNPFEDSA-N 315.373 -0.386 30 20 DBED CC(C)(C)OC(=O)N1CC(NC(=O)NCC(=O)NCC#N)C1 497182669 ZHQUISLYUZILHI-UHFFFAOYSA-N 311.342 -0.455 30 20 DBED CN(CCC#N)C[C@H](O)CNC[C@H]1CC[C@@H](C(=O)N(C)C)O1 515414349 IGCWDHIEAGLCSX-MCIONIFRSA-N 312.414 -0.582 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)CCC(=O)NCC)CC1 591067619 WQUPBBQWPHXXJS-UHFFFAOYSA-N 310.398 -0.651 30 20 DBED C=CCn1cc(C(=O)Nc2ccn(CC(=O)OCC)n2)nn1 594162272 OMOIJJBASUBQKB-UHFFFAOYSA-N 304.310 0.476 30 20 DBED N#Cc1ccn(CC(=O)N2CCN(C(=O)C3CC3)CC2)c(=O)c1 596320715 OLNWGTMGJAPYKB-UHFFFAOYSA-N 314.345 -0.199 30 20 DBED CCN(CCC#N)S(=O)(=O)N[C@@H](C)[C@H]1CN(C)CCO1 619712306 YOTNHNGKKRGOKX-NWDGAFQWSA-N 304.416 -0.225 30 20 DBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(CCO)CCOCCO 637117364 QBLMGHBHCIADDS-KBPBESRZSA-N 316.398 -0.020 30 20 DBED CC(C)[C@](C)(C#N)NC(=O)CN1[C@@H](C)C(=O)N(C)S1(=O)=O 752876557 BUQJPAFLAFDRTF-CABZTGNLSA-N 316.383 -0.552 30 20 DBED C#C[C@H](NC(=O)N1CCN(CCOC)C(=O)C1)[C@@H]1CCCO1 773550506 WNBDKDZFWCBTEC-STQMWFEESA-N 309.366 -0.333 30 20 DBED CCC(=O)N1CC[C@H](C(=O)NS(=O)(=O)CC2(C#N)CC2)C1 793203507 MMNVRDFHJCFIHE-JTQLQIEISA-N 313.379 -0.005 30 20 DBED N#Cc1ncn(CCNC(=O)NCCOc2cccnc2)n1 805115435 MYDFPODCMDPNOR-UHFFFAOYSA-N 301.310 -0.077 30 20 DBED CNS(=O)(=O)c1cc(C(=O)NCC#CCN(C)C)c(C)o1 824063771 BWOMOMVHIOQRSE-UHFFFAOYSA-N 313.379 -0.209 30 20 DBED C=CCNc1ncc(C(=O)NCC(=O)NCC(=O)OC)s1 848376554 BXYOXKNCKBSUTA-UHFFFAOYSA-N 312.351 -0.240 30 20 DBED C/N=C(/NCCN1CCOCC1)NCCN1CCSCC1 849005530 DZBFIQLYCXEDMO-UHFFFAOYSA-N 315.487 -0.468 30 20 DBED Cn1cc(/C=C2/S/C(=N/C3CC3)NC2=O)c(=O)n(C)c1=O 849252703 ZCXSSIPHLMTPRG-WEVVVXLNSA-N 306.347 -0.194 30 20 DBED C#CCN1CCC[C@@H](NC(=O)N2CC(NS(C)(=O)=O)C2)C1 890360780 BIKYADGNSZQQJA-LLVKDONJSA-N 314.411 -0.973 30 20 DBED C#CCn1ccc(CN(CC)C(=O)C[C@@H]2CC(=O)NC2=O)n1 935710895 YJRRUCLYVKXZLP-NSHDSACASA-N 302.334 -0.082 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](NC(=O)[C@@H]2CCCN2C(N)=O)C1 941320243 KGAKTZYTBZINLO-MXWKQRLJSA-N 307.354 -0.594 30 20 DBED Cc1noc(CN2CC(N3CCN(C(=O)[C@H](C)C#N)CC3)C2)n1 941345667 ZYGJRTZXUJAZPF-LLVKDONJSA-N 318.381 -0.134 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C2CN(Cc3cn(C)nn3)C2)CC1 941347807 CWUWDGGPPFOZTM-LBPRGKRZSA-N 317.397 -0.697 30 20 DBED C[C@H]1CN(CC#N)CC[C@@H]1NC(=O)CN1CCN(C)C(=O)C1 942201393 VAMVCDMTZZYUCM-STQMWFEESA-N 307.398 -0.889 30 20 DBED C=CCN1CC[C@@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)C[C@@H]1C 947776261 VFSDXVYGALNRAK-WDEREUQCSA-N 322.365 -0.438 30 20 DBED C=CCn1cccc1C(=O)N1CCC[C@H](NC(=O)C(N)=O)C1 951151293 DHPYOSVGTGBGSW-NSHDSACASA-N 304.350 -0.120 30 20 DBED Cc1nn[nH]c1C(=O)NC[C@H]1CCN1C(=O)c1cc(C#N)c[nH]1 951441841 GRKNTKVMVLWJGC-SNVBAGLBSA-N 313.321 -0.043 30 20 DBED CN(C(=O)[C@@H]1CCNC(=O)CC1)C1CN(C(=O)C#CC2CC2)C1 954852631 IREHJBMHJXQPBG-ZDUSSCGKSA-N 317.389 -0.015 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2cc3c([nH]2)CCOC3)C1 958130663 HQYGZSDOFUUHIK-IUODEOHRSA-N 303.362 -0.257 30 20 DBED C=C(C)CN1C[C@@H](O)[C@@H](CNC(=O)c2ccc(=O)n(C)c2)C1 958202635 JFAUCTFABCQOBX-UONOGXRCSA-N 305.378 -0.016 30 20 DBED C=C(C)CN1C[C@@H](O)[C@@H](CNC(=O)c2cc(C(N)=O)co2)C1 958389369 FETOTUFRFIJSBM-NWDGAFQWSA-N 307.350 -0.023 30 20 DBED C=CCN1C[C@@H](O)[C@@H](CNC(=O)C2CCN(C(C)=O)CC2)C1 958657271 GKHHTZHFKHDWHE-LSDHHAIUSA-N 309.410 -0.160 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](CNC(=O)c2cn(C)c(=O)n2C)C1 958736629 SKYKAAGRXZTEIT-OCCSQVGLSA-N 322.409 -0.288 30 20 DBED C#CCN1C[C@H](CNC(=O)c2cnc(COC)s2)[C@@H](O)C1 958744057 FEEJMBZQEXGCNQ-QWRGUYRKSA-N 309.391 -0.055 30 20 DBED C=CCN1C[C@H]2C(NC(=O)c3ccc(S(N)(=O)=O)o3)[C@@H]2C1 960777617 SENCUFIQTSFCOX-RKDXNWHRSA-N 311.363 -0.227 30 20 DBED C#CCN1C[C@H]2[C@H](NC(=O)C[C@@H]3CCCS(=O)(=O)C3)[C@H]2C1 962227309 JLLVTLNAXWOJCN-RMRHIDDWSA-N 310.419 -0.119 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CCCN(C(=O)c3nnn(C)n3)[C@@H]2C1 963804499 GBGBYSOJEXKQNJ-GARJFASQSA-N 317.353 -0.567 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC2(CN(C(=O)c3cn(C)cn3)C2)C1 965472485 KYANJYKAVJQKDL-NSHDSACASA-N 317.349 -0.367 30 20 DBED C[C@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)c1nnn(C)n1)C2 969811378 KXGCTGSNPSZBKH-UTLUCORTSA-N 303.326 -0.815 30 20 DBED N#CCN1CCO[C@]2(CCN(C(=O)[C@H]3CCNC(=O)CC3)C2)C1 972480695 QLURLLRJJSMUQK-CZUORRHYSA-N 320.393 -0.270 30 20 DBED N#CCN1CCO[C@]2(CCN(C(=O)C34CCN(CC3)C4)C2)C1 972639975 CSWLLMWCFDPUEI-MRXNPFEDSA-N 304.394 -0.091 30 20 DBED C=CCn1cc(C(=O)N[C@H]2C[C@@H](NC(=O)c3cc[nH]n3)C2)nn1 973907168 BYFCXNYDQAWSTR-AOOOYVTPSA-N 315.337 -0.122 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]2CCN(C(=O)Cn3ncnn3)C[C@@H]21 975727111 VPGHASFKMCTOMQ-SRVKXCTJSA-N 317.353 -0.718 30 20 DBED N#CCN1C[C@@H]2C(CNC(=O)[C@@H]3CCc4nnc(O)n4C3)[C@H]2C1 978410456 POVHGCHEJYXAPS-YUSALJHKSA-N 316.365 -0.636 30 20 DBED N#Cc1c[nH]c(C(=O)NC2CN(C(=O)CCn3ccnn3)C2)c1 990696367 SAFHRRSLECKWOC-UHFFFAOYSA-N 313.321 -0.491 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2CCCCO2)C1 990854612 ORKHZBAPMPITHH-LSDHHAIUSA-N 319.405 -0.020 30 20 DBED N#CCN[C@H]1CN(C(=O)Cn2cnnn2)CC[C@@H]1C(F)(F)F 998220934 CGEVVGJDLKFWAC-IUCAKERBSA-N 317.275 -0.434 30 20 DBED CN(C(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1)C1CC(NCC#N)C1 998761850 RFHNANWBWVYQBX-VOMCLLRMSA-N 316.365 -0.135 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCCN([C@@H]3CCNC3=O)C2)nn1 1008791967 CKOYJDAJISMCGV-DGCLKSJQSA-N 318.381 -0.453 30 20 DBED C#Cc1ccccc1CC(=O)N[C@H]1C[C@@H](C)N(C(=O)C(N)=O)C1 1013964882 CGWKRRRSNKGCAS-RISCZKNCSA-N 313.357 -0.199 30 20 DBED C=CCN1CC[C@@H](N2CC[C@H](NC(=O)Cc3ncc[nH]3)C2)C1=O 1015905708 RMUBNHPJNSDCIC-QWHCGFSZSA-N 317.393 -0.070 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCN(C(=O)c3nnn(C)n3)C2)C1 1019365252 XAWJTNNJXQDJRF-VIFPVBQESA-N 303.326 -0.956 30 20 DBED C[C@@H]1CN(C(=O)C(N)=O)CC[C@@H]1CNC(=O)c1c[nH]c(C#N)c1 1020798200 IPIZLYKPNSZJSX-NXEZZACHSA-N 317.349 -0.414 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CCN(C(=O)c3cc(=O)n(C)o3)[C@@H]2C1 1021471770 QEDPDHVFABAAAH-GARJFASQSA-N 318.333 -0.189 30 20 DBED C=CCCn1cc(C(=O)N[C@H]2C[C@@H](N[C@H](C)C(N)=O)C2)nn1 1022836009 QASVRONENFAZIO-MXWKQRLJSA-N 306.370 -0.422 30 20 DBED Cn1nnc(CNC[C@@H]2CCCN(C(=O)C#CC3CC3)C2)n1 1023979899 VQBZQOYSMKWTQB-ZDUSSCGKSA-N 302.382 -0.048 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)[C@@H]1CC(=O)N(C)C1 1026610107 YJRSBKOBOIPQNJ-MRVWCRGKSA-N 317.389 -0.159 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)[C@@H]3CC(=O)N(C)C3)C2)C1=O 1030391219 WBIDRIKBZUOAKW-DGCLKSJQSA-N 320.393 -0.948 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN(CCc2cnn(C)c2)C1 1030463222 GNZBRDFEHZYDGP-INIZCTEOSA-N 315.421 -0.139 30 20 DBED N#CCN1CC(CNC(=O)c2cn(C[C@H]3CCOC3)nn2)C1 1032083328 RJTDWEORNBSXNS-LLVKDONJSA-N 304.354 -0.500 30 20 DBED C#CCCN1CCO[C@H](CNC(=O)c2ccc(OC)nn2)C1 1035570714 QOYAXMSBYYXSFN-GFCCVEGCSA-N 304.350 -0.061 30 20 DBED CC#CCN1CCO[C@@H](CNC(=O)[C@H]2COCCN2C(C)=O)C1 1035607982 DONBRGXVKTWXLE-LSDHHAIUSA-N 323.393 -0.926 30 20 DBED N#CCN1CCO[C@H](CNC(=O)c2cccc(C(N)=O)n2)C1 1035626760 YVQYSZJGYSWTER-SNVBAGLBSA-N 303.322 -0.865 30 20 DBED C#CCCCC(=O)N1CC[C@](O)(CNC(=O)c2cn(C)nn2)C1 1039616905 YPTMTFSXRVHFQJ-HNNXBMFYSA-N 319.365 -0.688 30 20 DBED CCCN(C)CC(=O)NC[C@]1(O)CCN(C(=O)C#CC2CC2)C1 1040446784 MCFYYUBOSICRKL-QGZVFWFLSA-N 321.421 -0.179 30 20 DBED C=CCCC(=O)N1CC[C@@](O)(CNC(=O)[C@]2(C)CCNC2=O)C1 1040922426 XVBYUIQGARQZGD-HZPDHXFCSA-N 323.393 -0.442 30 20 DBED N#Cc1cncc(N2C[C@@H](O)[C@H](NC(=O)c3cscn3)C2)n1 1040945682 UYANJOMVYKROIG-MWLCHTKSSA-N 316.346 -0.216 30 20 DBED C=CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)CSC)C1 1041366084 YEEWINDRGDRUSP-SNVBAGLBSA-N 302.396 -0.370 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)c2cnn(C)c2C)C1 1041477687 AZEKEMJCWVQCTN-UHFFFAOYSA-N 306.366 -0.002 30 20 DBED Cc1cc(C#N)nc(NC[C@H]2CN(C(=O)C(N)=O)CCCO2)n1 1041525355 LQQQRIBFKBZYHS-NSHDSACASA-N 318.337 -0.829 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)CC(F)(F)F)C1 1041830903 LKSOYZUSQLRYLN-UHFFFAOYSA-N 322.283 -0.332 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)[C@H](C)n2cncn2)C1 1041956824 WUXASIQXXREYRJ-NSHDSACASA-N 307.354 -0.505 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)CN(C)C(C)C)C1 1042052133 CKMIWKOGQRLBOI-UHFFFAOYSA-N 313.398 -0.781 30 20 DBED CC[C@@H](F)C(=O)N1CC(O)(CNC(=O)c2ccc(C#N)[nH]2)C1 1042609126 RKTNAZRHSICSNA-SNVBAGLBSA-N 308.313 -0.062 30 20 DBED N#Cc1cc(C(=O)NCC2(O)CN(C(=O)[C@H]3CCOC3)C2)c[nH]1 1042669472 OGZZXRDXLCWJAJ-JTQLQIEISA-N 318.333 -0.774 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)c2cnsn2)C1 1042936404 GSXNJVBOIMXHKG-UHFFFAOYSA-N 308.363 -0.499 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)c2cccnn2)C1 1042938554 ZGZRRKRWFBJAHR-UHFFFAOYSA-N 302.334 -0.561 30 20 DBED C=CC(C)(C)CC(=O)NCC1(O)CN(C(=O)c2cnon2)C1 1043206986 ICQUAMVQSFVFSP-UHFFFAOYSA-N 308.338 -0.025 30 20 DBED Cc1nonc1C(=O)NCC1(O)CN(C(=O)C#CC(C)(C)C)C1 1043716748 GVQBWKZLZRYWST-UHFFFAOYSA-N 320.349 -0.269 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)[C@H]2CCCC(=O)N2)C1 1044474975 HKWFRMHVWVJWQC-LLVKDONJSA-N 323.393 -0.443 30 20 DBED C=C(C)C(C)(C)C(=O)N1CC(O)(CNC(=O)c2nnn(C)n2)C1 1044939526 NYZHDRNMIPGFIT-UHFFFAOYSA-N 322.369 -0.885 30 20 DBED CC(C)[C@@H](C(=O)N1CC(O)(CNC(=O)[C@H](C)C#N)C1)N(C)C 1045545709 AUEIXIGJANHPTM-NEPJUHHUSA-N 310.398 -0.578 30 20 DBED C=CCN1CC[C@H](N2CCN(C(=O)[C@@H]3CCNC(=O)C3)CC2)C1 1046020358 RDYGZBWAEBFGKI-CABCVRRESA-N 320.437 -0.083 30 20 DBED N#Cc1cncc(N[C@H]2C[C@H](CNC(=O)[C@H]3C[C@H]3C(N)=O)C2)n1 1047019066 FYYXQQYVYYWDLS-IQIPOGNMSA-N 314.349 -0.224 30 20 DBED CN1CCN(CC(=O)N[C@H]2C[C@H]3C[C@@H](C2)N(CC#N)C3)CC1=O 1047099173 UKNCTGUPDVIJMB-IHRRRGAJSA-N 319.409 -0.747 30 20 DBED CN(C(=O)c1ccc2nncn2c1)[C@H]1CN(CC#N)C[C@@H]1O 1047563953 GIAXIOMWSHQLEK-RYUDHWBXSA-N 300.322 -0.630 30 20 DBED CNC(=O)CCCC(=O)N(C)[C@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1O 1048718818 YRILVNOEURJKRX-SRVKXCTJSA-N 324.381 -0.908 30 20 DBED C=C[C@@](C)(O)CC(=O)N(C)[C@H]1CN(C(=O)c2cnco2)C[C@@H]1O 1048762603 YEDCXDOILKZMFY-ZIBATOQPSA-N 323.349 -0.355 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CCNC2=O)C1 1048953498 GUVWQAVSPOJDQX-AGIUHOORSA-N 323.393 -0.491 30 20 DBED N#Cc1ccc(N2CC[C@@H]3CN(C(=O)CC(N)=O)C[C@@H]3C2)nn1 1049270026 STRQDZUKPSNGTQ-MNOVXSKESA-N 314.349 -0.492 30 20 DBED N#CCN1C[C@@H]2CCCN(C(=O)Cn3c(O)nnc3O)[C@@H]2C1 1050191737 KPNYPBQOFDVSQI-VHSXEESVSA-N 306.326 -0.864 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)[C@@H]1CCCCN(C)C1=O 1051208853 DEWNNGHPWUMURF-KGLIPLIRSA-N 307.394 -0.305 30 20 DBED C=C(C)CN1CCOC[C@H]1CNC(=O)c1nccnc1C(N)=O 1051237550 VJHMECYXTZLVRM-LLVKDONJSA-N 319.365 -0.418 30 20 DBED CC#CCN1CCOC[C@@H]1CNC(=O)[C@H]1CCC(=O)N(C)C1 1051259312 VFMHDXNJECLSRY-KBPBESRZSA-N 307.394 -0.305 30 20 DBED C[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1CNC(=O)C(N)=O 1052385440 SSCSZHQFIVVUED-DTWKUNHWSA-N 303.322 -0.804 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)[C@]1(C)CNC(=O)C1)CCO2 1053357563 WMUNNFMUDPHPLF-HNNXBMFYSA-N 305.378 -0.551 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)[C@@H]3CCC(=O)N3C(C)C)CO2)C1 1053903931 AXDMOQIWHAKBTI-KBPBESRZSA-N 319.405 -0.022 30 20 DBED N#CCN1CC[C@@]2(CCCN(C(=O)CN3CCOCC3=O)C2)C1 1054146611 NUCUSXPDODZFNH-INIZCTEOSA-N 320.393 -0.317 30 20 DBED CNC(=O)NCC(=O)N1C[C@@H]2CN(C(=O)C#CC(C)C)C[C@@H]2C1 1055329360 PDDANZBJCCVNQN-BETUJISGSA-N 320.393 -0.508 30 20 DBED C=C[C@@](C)(CCOC)C(=O)N1C[C@H]2CN(C(=O)C(N)=O)C[C@H]2C1 1055407801 RDVQSKZGCJYMPO-OZVIIMIRSA-N 323.393 -0.383 30 20 DBED C=CCCC(=O)N[C@]1(CO)CCCN(C(=O)c2nc[nH]n2)C1 1055824170 PRBDJMSMYGBFIY-CQSZACIVSA-N 307.354 -0.146 30 20 DBED CC(C)N(C)CC(=O)N1CCC[C@](CO)(NC(=O)[C@H](C)C#N)C1 1056095774 DJBDBUCWMXAILQ-CJNGLKHVSA-N 324.425 -0.044 30 20 DBED Cc1cc(C(=O)N(CCO)CCNC(=O)[C@H](C)C#N)nn1C 1057107044 FKJBNSJEPBFEMG-SNVBAGLBSA-N 307.354 -0.561 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)c1ccc(F)nc1 1057216978 LVHKCTNGKIOESE-SNVBAGLBSA-N 308.313 -0.069 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)c1n[nH]cc1F 1057524699 NRVIKALZUVTOOH-UHFFFAOYSA-N 310.329 -0.241 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)Cn1ccnc1 1057993983 FLSVURYOQLMDIG-UHFFFAOYSA-N 310.354 -0.977 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)Cn1ccnc1 1057996494 MCGHWLGPCFJUNL-UHFFFAOYSA-N 306.366 -0.520 30 20 DBED C=C[C@H](CC)CC(=O)N(CCO)CCNC(=O)Cn1ncnn1 1058468740 PWSNTAXYKQLLAS-GFCCVEGCSA-N 324.385 -0.788 30 20 DBED CN1CC[C@@H](C(=O)N[C@H]2CCN(c3cnc(C#N)cn3)C2)C1=O 1058515061 UGQQDMYDDPXNDX-JQWIXIFHSA-N 314.349 -0.479 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](CCNC(=O)c2nnn(C)n2)C1 1060295387 VQELGYXWPPRWIZ-VHSXEESVSA-N 305.342 -0.662 30 20 DBED C=CCOCC(=O)N1CCOC[C@H]1CNC(=O)CSC 1061256223 LLYVJEUNZWFBCK-LLVKDONJSA-N 302.396 -0.104 30 20 DBED C=CCCC(=O)NC[C@H]1COCCN1C(=O)CN1CCCC1=O 1061396607 KDFCWVSACQBWKW-ZDUSSCGKSA-N 323.393 -0.081 30 20 DBED N#Cc1nccnc1N1CC[C@@H](CNC(=O)[C@H]2CCC(=O)N2)C1 1061538278 BHTIUDKVSZSDMZ-WDEREUQCSA-N 314.349 -0.431 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCOC[C@H]1CNC(=O)c1cnn[nH]1 1061696770 CBGCWPRTMXNWTQ-YGRLFVJLSA-N 323.353 -0.911 30 20 DBED N#Cc1nccc(N2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CCC(=O)N2)n1 1062459377 YHPCRZWVXCREGW-GARJFASQSA-N 312.333 -0.584 30 20 DBED CC[C@@H]1CN(C(=O)C(N)=O)CC[C@H]1Nc1ccc(C#N)nn1 1064413023 NLUOFFWPQVHFFL-MWLCHTKSSA-N 302.338 -0.127 30 20 DBED Cc1nnsc1C(=O)N1CCO[C@@H](CNC(=O)[C@@H](C)C#N)C1 1064842333 BQVIVAWFGOYIOK-WPRPVWTQSA-N 323.378 -0.037 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(C(=O)c2cn[nH]c2)CCO1 1064896294 PBQXGMDVKSXULT-CYBMUJFWSA-N 302.334 -0.220 30 20 DBED CC(C)C#CC(=O)N1CCO[C@H](CNC(=O)[C@H]2COCCO2)C1 1065128934 HCHQCKZGBHCFFX-ZIAGYGMSSA-N 324.377 -0.595 30 20 DBED COc1nc(C(=O)N2CCO[C@@H](CNC(=O)[C@H](C)C#N)C2)co1 1065381037 ZACCTECDGXDHTJ-ZJUUUORDSA-N 322.321 -0.200 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)[C@]2(C)CCNC2=O)CCO1 1065620367 IUPQFXWDILTVQY-MLGOLLRUSA-N 323.393 -0.178 30 20 DBED C[C@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1N=c1cc[nH]cc1C#N 1067042105 JWBKBNWOKDYXAX-GWCFXTLKSA-N 312.337 -0.679 30 20 DBED Cc1cc(C#N)nc(N[C@@H](C)[C@@H]2CN(C(=O)C(N)=O)CCO2)n1 1068244248 SUKVNZRVHWTGLH-ONGXEEELSA-N 318.337 -0.830 30 20 DBED C=CCN1CCn2ncc(CNC(=O)[C@H]3CN(C)C(=O)N3)c2C1 1069869567 RTWCLOVFIJQTQK-GFCCVEGCSA-N 318.381 -0.476 30 20 DBED Cn1cnc([C@@H]2CN(C(=O)c3cnnn3C)C[C@H]2NCC#N)c1 1070488915 LIQWFFOHZWNVEE-CMPLNLGQSA-N 314.353 -0.730 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C[C@H]1c1cn(C)cn1 1070524926 KEYDOIDOTXTOJG-QZPUYBJASA-N 314.389 -0.170 30 20 DBED N#CCN1C[C@H]2C[C@@H]3CN(C(=O)[C@@H]4CCNC(=O)C4)C[C@@]3(C1)O2 1070785233 NTFLOCZYNFPJFY-BRXULGCHSA-N 318.377 -0.662 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)[C@H](OC)C(C)C)CC1 1070996062 GSKGXKMETGJWGZ-OAHLLOKOSA-N 309.410 -0.059 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)COC(C)C)C1 1071937024 XBNXMCIOQCSWQW-OLZOCXBDSA-N 323.393 -0.486 30 20 DBED COCCC(=O)N1CCN(C2CN(C(=O)[C@@H](C)C#N)C2)CC1 1073520242 HSTMUCWKRDQPMQ-LBPRGKRZSA-N 308.382 -0.462 30 20 DBED C#Cc1cncc(C(=O)NC[C@@H]2CN(CCO)CCCO2)c1 1073762743 LOQKPTITIAQVNO-OAHLLOKOSA-N 303.362 -0.124 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(C(=O)c2cnn[nH]2)C[C@H]1C 1073820592 UTMSZMUIGGIQQA-MNOVXSKESA-N 307.354 -0.026 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)Cc3cncnc3)C[C@@H]21 1074225134 BOWUNBSUEFXKNQ-LSDHHAIUSA-N 300.362 -0.046 30 20 DBED C#CCCN1CCO[C@H]2CCN(C(=O)Cc3n[nH]c(C)n3)C[C@H]21 1074237680 DAVXRFWIFVWABT-KGLIPLIRSA-N 317.393 -0.019 30 20 DBED CC#CCN1CCO[C@@H]2CCN(C(=O)Cc3nc[nH]n3)C[C@@H]21 1074379860 KGXVCQSFYAANAW-QWHCGFSZSA-N 303.366 -0.328 30 20 DBED CS(=O)(=O)CCN1C[C@@H]2CCN(C(=O)C#CC3CC3)[C@@H]2C1 1075776544 UCKKKWXRMDKJJT-UONOGXRCSA-N 310.419 -0.023 30 20 DBED C#CCOCCC(=O)NCC[C@H](C)NC(=O)[C@H]1C[C@H]1C(N)=O 1076506201 NJWKSTPJKVEOAK-TUAOUCFPSA-N 309.366 -0.841 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC(=O)N(C)C2)C1 1077086585 ZCRDREICYTWZCF-GMTAPVOTSA-N 301.774 -0.622 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)c2cn3c(n2)COCC3)C1 1077230071 DFSWYVLBFZCYPD-DGCLKSJQSA-N 304.350 -0.789 30 20 DBED C#CCNC(=O)CC(=O)N(CC)C1CN(C(=O)COCC=C)C1 1079644976 ZSQTUUBEDYBTPK-UHFFFAOYSA-N 321.377 -0.612 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2CN([C@H](C)C(N)=O)C[C@H]2C)c1 1080409877 ODVBOJBVCFYLCB-JTNHKYCSSA-N 300.362 -0.013 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)C23CCN(CC2)C3)C[C@@H]1O 1081336180 UYZJNARPUYVGRL-KGLIPLIRSA-N 321.421 -0.016 30 20 DBED C=CCCCC(=O)NC[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@@H]1O 1081705811 VLCDHUQLWQUGNW-NEPJUHHUSA-N 323.393 -0.456 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CC(=O)N(C(C)C)C2)C1 1083503934 INPYOZXUNSZCQO-MCIONIFRSA-N 309.410 -0.019 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)c2ccc(C(N)=O)o2)C1 1083626086 CYAFPLWRHQUNLG-BDAKNGLRSA-N 313.741 -0.094 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)c2ccc3nnc(O)n3c2)C1 1083857462 WJZHLGDNBFEILV-MNOVXSKESA-N 303.322 -0.604 30 20 DBED Cn1cc([C@@H]2CN(C(=O)Cn3ccnc3)C[C@H]2NCC#N)cn1 1087012392 VNXHVENNQSGFOT-UONOGXRCSA-N 313.365 -0.276 30 20 DBED C[C@@H](C[C@H](C)NC(=O)c1cnn[nH]1)N=c1cc[nH]c(C#N)n1 1089509639 VIEHFFFWEKYGAS-IUCAKERBSA-N 300.326 -0.103 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2ccc3nc(O)[nH]c3n2)[C@H](O)C1 1090522544 JPKJJLCKSSDIAG-LDYMZIIASA-N 316.321 -0.648 30 20 DBED Cn1nc2c(c1C(=O)N[C@H]1CCN(CC#N)C[C@H]1O)CCC2 1090724214 GYZOVRBAFMHICJ-QWHCGFSZSA-N 303.366 -0.403 30 20 DBED COCc1nc(C)cc(N2C[C@H](O)[C@H](NC(=O)[C@@H](C)C#N)C2)n1 1091082859 LGCUAOOWMDPMPB-WCQGTBRESA-N 319.365 -0.243 30 20 DBED C#CCCN1C[C@@H](C)[C@H](CNC(=O)c2cnc(O)n(C)c2=O)C1 1092879377 NQTONTVJPCLFSD-VXGBXAGGSA-N 318.377 -0.193 30 20 DBED N#Cc1nccnc1NCCNC(=O)[C@H]1CCCCC(=O)N1 1094113606 XAUGWRYCHAWUTI-SNVBAGLBSA-N 302.338 -0.065 30 20 DBED N#Cc1nccnc1NCCNC(=O)[C@@H]1CN2CCC[C@@H]2CO1 1094202966 IIRNGBMERVEQKY-YPMHNXCESA-N 316.365 -0.260 30 20 DBED N#CCN1CC(N2C[C@@H](NC(=O)C3CCOCC3)CC2=O)C1 1094693520 QNNRVXNIIKZVKV-LBPRGKRZSA-N 306.366 -0.662 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)Cc3nonc3C)CC2=O)C1 1094803185 ITKJXUNXYJQPOP-NSHDSACASA-N 319.365 -0.492 30 20 DBED Cc1cc(=N[C@H]2C[C@H](NC(=O)CS(C)(=O)=O)C2)c(C#N)c[nH]1 1096995439 APJDYSZPZOYRKU-HAQNSBGRSA-N 322.390 -0.213 30 20 DBED C[C@H](CNC(=O)Cn1cnnc1O)Nc1cncc(C#N)n1 1097787543 IORPAKUDQPTMFK-MRVPVSSYSA-N 302.298 -0.738 30 20 DBED C[C@H](CNC(=O)C[C@H]1CC(=O)NC1=O)Nc1cncc(C#N)n1 1097945960 ZRYUGQRZPBYWII-BDAKNGLRSA-N 316.321 -0.682 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)c2ccon2)[C@H](O)C1 1099706945 KGDDQMUFQPPAHX-CMPLNLGQSA-N 308.338 -0.858 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)COCC=C)[C@H](O)C1 1099741384 SERBTJURRKPMQL-QWHCGFSZSA-N 311.382 -0.957 30 20 DBED CC(C)(C)/C=C/C(=O)N[C@@H]1CCN(CC(=O)NCC#N)C[C@H]1O 1099747359 WIEKEHQRUMRIFM-LOWFTVKWSA-N 322.409 -0.220 30 20 DBED C=CCCCN1CC[C@@H](NC(=O)CN2C(=O)CNC2=O)[C@@H](O)C1 1100101375 LMLRFMQGYWGKBB-NEPJUHHUSA-N 324.381 -0.944 30 20 DBED C=C(C)CCN1CC[C@@H](NC(=O)CS(=O)(=O)CC)[C@H](O)C1 1100129148 INGHPEODPPVQHG-CHWSQXEVSA-N 318.439 -0.061 30 20 DBED CN(CCNC(=O)[C@H]1CCCNC1=O)c1nccnc1C#N 1100185233 POQNVJDOJCQXFW-JTQLQIEISA-N 302.338 -0.573 30 20 DBED C[C@H](C#N)C(=O)NCC1CC(NCCN2C(=O)CCC2=O)C1 1100198253 UNENNYMQQGJGDG-VOMCLLRMSA-N 306.366 -0.221 30 20 DBED C#CCNC(=O)[C@H](C)NC1CC(CNC(=O)CCOCC#C)C1 1100323896 OSKLTRXWHXNWLC-NFOMZHRRSA-N 319.405 -0.351 30 20 DBED CCN1C[C@H](C(=O)NCCN(C)c2ccc(C#N)nn2)CC1=O 1100383728 LQWKDZDIXLCUEU-LLVKDONJSA-N 316.365 -0.231 30 20 DBED N#Cc1cncc(N2CCCC[C@H](NC(=O)CC(N)=O)C2)n1 1102863268 RUIFABZBYKEBMD-JTQLQIEISA-N 302.338 -0.301 30 20 DBED O=C(C#CC1CC1)N1CC(n2cc(CNCCCO)nn2)C1 1105237870 APSHHVIVVWDIIQ-UHFFFAOYSA-N 303.366 -0.453 30 20 DBED N#Cc1nc(=NC[C@H](O)CNC(=O)Cc2cccs2)cc[nH]1 1105710420 FGNXBSIKUBOOLQ-JTQLQIEISA-N 317.374 -0.037 30 20 DBED Cc1ocnc1C(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1 1105729944 VRMQXLHQRQHEMR-SECBINFHSA-N 302.294 -0.731 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](O)CNC(=O)COC(C)C)n1 1105731278 ATFOZQOJSDKOOJ-LBPRGKRZSA-N 307.354 -0.029 30 20 DBED N#Cc1cnc(NC[C@@H](O)CNC(=O)Cc2cc[nH]n2)cn1 1105762886 XBHKDIQNHBMWRQ-LLVKDONJSA-N 301.310 -0.797 30 20 DBED CCC(=O)NCC(=O)NC[C@@H](O)CNc1ncccc1C#N 1105771140 FRVSIQYUYUZIDW-LLVKDONJSA-N 305.338 -0.632 30 20 DBED C#CCCCC(=O)NC[C@H](O)CNc1ncc(C(=O)OC)cn1 1105798402 ATEJKALCIHYHIS-LBPRGKRZSA-N 320.349 -0.044 30 20 DBED Cn1ccc(CC(=O)NC[C@H](O)CN=c2cc[nH]cc2C#N)n1 1105819452 YXIZSKVDMFLDFK-CYBMUJFWSA-N 314.349 -0.760 30 20 DBED N#Cc1nccnc1NC[C@@H](O)CNC(=O)CN1CCCC1 1105855739 KIDYNHNEWWYOKW-NSHDSACASA-N 304.354 -0.667 30 20 DBED N#Cc1cnc(NC[C@H](O)CNC(=O)CN2CCCC2)cn1 1105856196 PJRWYJQSBSYWLG-LBPRGKRZSA-N 304.354 -0.667 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H](O)CNc1ccc(C#N)nn1 1105970615 KKAVZFKOERLUPV-ZYHUDNBSSA-N 303.322 -0.724 30 20 DBED N#Cc1cnc(NC[C@@H](O)CNC(=O)CCc2ccon2)cn1 1106019141 IVUNWKSOLCVJNO-GFCCVEGCSA-N 316.321 -0.142 30 20 DBED C[C@@H](CCNc1cncc(C#N)n1)NC(=O)[C@H]1CCNC1=O 1106514876 CQLOFNKIPTZEFN-ONGXEEELSA-N 302.338 -0.209 30 20 DBED N#Cc1nccnc1NC/C=C\CNC(=O)Cn1cnnc1O 1107133403 GKQLNDDEVCSDRP-UPHRSURJSA-N 314.309 -0.570 30 20 DBED Cc1cc(C#N)nc(NC/C=C\CNC(=O)[C@H](C)NC(N)=O)n1 1107168305 DHQPLHQHHCPBSY-XOULXFPDSA-N 317.353 -0.202 30 20 DBED N#Cc1cnc(NC/C=C/CNC(=O)[C@@H]2CC[C@H]2C(N)=O)cn1 1107452716 TYSAUJPOKJCFEN-NUYITTKVSA-N 314.349 -0.056 30 20 DBED C=CCN1CCO[C@](C)(CNC(=O)CN2CCCNC2=O)C1 1108049073 HJCWAOAEYPZMKC-OAHLLOKOSA-N 310.398 -0.205 30 20 DBED CNC(=O)NCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC#CCOC 1110526805 ZMIUOCABDLQLBB-MCIONIFRSA-N 322.409 -0.323 30 20 DBED CO[C@H](C)C(=O)N(C)[C@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1111171230 VHVZREMDELVAJV-USWWRNFRSA-N 305.338 -0.609 30 20 DBED N#Cc1ccc(NCCN(CCO)C(=O)c2cocn2)nn1 1111445225 QXAVRFUNTGEJNN-UHFFFAOYSA-N 302.294 -0.117 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cn1ccnc1 1111501698 VRGXQQSAQNPGDV-MCIONIFRSA-N 315.377 -0.646 30 20 DBED C=CCN1CCC2(CC1)CN(C(=O)CNC(N)=O)C[C@H](C)O2 1111535184 JZSQUGRBLSWHCY-LBPRGKRZSA-N 310.398 -0.077 30 20 DBED CNC(=O)CC(=O)N[C@H]1CCN(c2cnc(C#N)cn2)[C@H](C)C1 1112470481 XFLKMTVMSDFIEF-MNOVXSKESA-N 316.365 -0.042 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)c2snnc2C)CC1 1112606357 TWEBAYLCWCOQLU-LLVKDONJSA-N 321.406 -0.258 30 20 DBED CNC(=O)NCCC(=O)N[C@H](C)[C@@H](C)N=c1cc[nH]c(C#N)n1 1113000838 GPYDZIRHGWEKMR-NXEZZACHSA-N 319.369 -0.606 30 20 DBED CCNC(=O)NC(C)(C)C(=O)N1CCN(CC#CCOC)CC1 1113401798 REIICVMGYBEOKI-UHFFFAOYSA-N 324.425 -0.122 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)CCCCC(N)=O)CC1 1113518820 YURCSHWLNDLDTE-ZDUSSCGKSA-N 324.425 -0.133 30 20 DBED C[C@@H](CNC(=O)C[C@H]1CCC(=O)N1)N(C)c1ccnc(C#N)n1 1113651833 KLKRGKVACVKJEE-WDEREUQCSA-N 316.365 -0.042 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)CCOCC)[C@H]2C1 1114044886 OWDMBACTBRRBMU-CXTNEJHOSA-N 307.394 -0.403 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1[C@@H]2CN(CC(=O)N3CCOCC3)C[C@@H]21 1114067021 LRJABUFLHHFNFZ-CIQGVGRVSA-N 306.366 -0.949 30 20 DBED CCn1nnc(C)c1C(=O)NC1[C@@H]2CN(CC#CCOC)C[C@@H]12 1114393455 URAFWIXPWGXHJQ-CHWSQXEVSA-N 317.393 -0.084 30 20 DBED C#CCN1C[C@H]2[C@H](NC(=O)COCc3ccnc(O)c3)[C@H]2C1 1114466044 MRRQLZNOODFYFO-VIKVFOODSA-N 301.346 -0.017 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]12 1114857886 YLQUYUXYDASFOF-LPWJVIDDSA-N 318.377 -0.736 30 20 DBED C=CCNC1(CNC(=O)C[C@H](NC(C)=O)C(N)=O)CCCCC1 1115761199 NNQKERNTYGJMIG-ZDUSSCGKSA-N 324.425 -0.039 30 20 DBED C#CCOCCNC(=O)C(=O)N[C@H](C)C(=O)N1CCCC[C@H]1C 1117436016 BVCRMDFONLPWBV-CHWSQXEVSA-N 323.393 -0.342 30 20 DBED Cc1cc(=N[C@@H](C)CN(C)C(=O)Cn2ncnn2)c(C#N)c[nH]1 1120128891 SHTNDONMBDPHTA-NSHDSACASA-N 314.353 -0.371 30 20 DBED C=CCOCCn1nnnc1N1CCN(C(=O)N(C)C)CC1 1120179097 SUNOWBHZEGAVBN-UHFFFAOYSA-N 309.374 -0.321 30 20 DBED N#Cc1nccnc1N[C@H](CO)CNC(=O)COCC1CC1 1121092901 UDDMTNSZMMLWJW-NSHDSACASA-N 305.338 -0.336 30 20 DBED Cc1cc(=N[C@@H](CO)CNC(=O)[C@H]2CCCOC2)c(C#N)c[nH]1 1121205342 OCDBGTWCLJWHEJ-GXTWGEPZSA-N 318.377 -0.001 30 20 DBED COCCOCCC(=O)NC[C@@H](CO)Nc1ncccc1C#N 1121698662 IMOYOHWERZQBPA-ZDUSSCGKSA-N 322.365 -0.105 30 20 DBED Cc1c[nH]c(C(=O)N(C)C[C@H](O)CNc2nccnc2C#N)n1 1124828039 HKSGHTCPWROMLI-SNVBAGLBSA-N 315.337 -0.075 30 20 DBED C[C@@H](C#N)C(=O)NCCN[C@@H]1CCCN(c2ccn(C)n2)C1=O 1124902836 NHFAIYHALWXLGY-NWDGAFQWSA-N 318.381 -0.219 30 20 DBED COCCN(CCNC(=O)[C@H](O)C(C)C)c1ccc(C#N)nn1 1126315662 VSUKGRGZTOUYRN-CQSZACIVSA-N 321.381 -0.066 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)c1ncc[nH]1 1126828285 RJJPIAWZFQIADT-VIFPVBQESA-N 308.342 -0.871 30 20 DBED C#CCOCCC(=O)NCCNCC(=O)N(C)CC(F)(F)F 1127023448 MCPVHKBPKRIBIS-UHFFFAOYSA-N 323.315 -0.247 30 20 DBED CN(CCOCCNc1ccc(C#N)nn1)C(=O)c1cnon1 1127351140 APJJIPXZVMXEQU-UHFFFAOYSA-N 317.309 -0.068 30 20 DBED C=C(C)CNCc1nnc2n1CC[C@H](NC(=O)CC(N)=O)CC2 1127983901 DTSHOGQXHRTMJG-LLVKDONJSA-N 320.397 -0.360 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)CCc1cnc[nH]1 1128986005 AYXRFFCETNKNRW-UHFFFAOYSA-N 322.369 -0.940 30 20 DBED COCC(=O)NCc1nc([C@@H]2C[C@H](OC)CN2CC#N)n[nH]1 1130258079 JQHVQMSZEBWDLC-UWVGGRQHSA-N 308.342 -0.647 30 20 DBED C=CCCN1C[C@H]2C[C@@H]3CN(C(=O)CNC(N)=O)C[C@@]3(C1)O2 1131177817 LPUQCDUGWGPDAA-LALPHHSUSA-N 308.382 -0.468 30 20 DBED CC(C)C#CC(=O)N1C[C@H]2C[C@@H]3CN([C@@H](C)C(N)=O)C[C@]2(C1)O3 1131230353 JBWSHNBIMTWGTI-ZOMKSWQUSA-N 319.405 -0.179 30 20 DBED CCN(CC)CC(=O)N[C@@H]1CC[C@@H](C)N(CC(=O)NCC#N)C1 1132375526 DTIOHAMTQAINPS-ZIAGYGMSSA-N 323.441 -0.063 30 20 DBED Cc1nn(CC(=O)N2CC[C@H](C)[C@@H](CNCC#N)C2)c(=O)n1C 1133289397 UOFZAHOIANWQSP-AAEUAGOBSA-N 320.397 -0.512 30 20 DBED C#CCNC[C@@H]1CN(C(=O)CS(=O)(=O)NC)CC[C@@H]1C 1133332898 ARTIESQCZKZLHV-NWDGAFQWSA-N 301.412 -0.757 30 20 DBED C[C@@H](C[C@H](C)NC(=O)COCC1CC1)NCC(=O)NCC#N 1133779098 KOSNKPLBEPMXMH-RYUDHWBXSA-N 310.398 -0.074 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)c1cncnc1 1134153099 VMLDFPPVEBXDFV-NWDGAFQWSA-N 303.366 -0.288 30 20 DBED N#CCNC(=O)CN1CCC2(C1)CN(C(=O)c1cc[nH]c1)C2 1147610485 GJJLJYQMFUQAAJ-UHFFFAOYSA-N 301.350 -0.198 30 20 DBED C#CCCN1CCC2(C1)CN(C(=O)[C@H](C)NC(=O)COC)C2 1147610491 GPMNWIMULVULDV-ZDUSSCGKSA-N 307.394 -0.305 30 20 DBED COCC#CCN1CCCO[C@@H](CNC(=O)c2cnnn2C)C1 1149646417 LQQXQZGXNAPYAI-ZDUSSCGKSA-N 321.381 -0.714 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN([C@@H](C)C(N)=O)CCCO1 1149721190 JOLGMRAEJHBFFE-QWHCGFSZSA-N 311.382 -0.893 30 20 DBED C#CCCN1CCC(CCOC)(NC(=O)Cn2cnnn2)CC1 1150924363 CNNLPCISDHWXPV-UHFFFAOYSA-N 320.397 -0.316 30 20 DBED C=CCO[C@@H](C)C(=O)NCCNC[C@H](O)CN1CCCC1=O 1153135449 UCJYZAZBWLSFOE-STQMWFEESA-N 313.398 -0.733 30 20 DBED Cc1nn(C)c(C)c1[C@H](C)C(=O)NCCNCC(=O)NCC#N 1153655303 MVCRAWQYHRQKRL-JTQLQIEISA-N 320.397 -0.514 30 20 DBED C#CCN(CC)[C@H](C)CNC(=O)[C@@H]1CC(=O)N(CCOC)C1 1153682307 AAOWXSSDSPQREH-ZIAGYGMSSA-N 309.410 -0.059 30 20 DBED C[C@H](C#N)C(=O)NCCCNCc1nc(O)c2cnn(C)c2n1 1155836142 KLUHIFWPBLSRPF-SECBINFHSA-N 317.353 -0.176 30 20 DBED C=CCNC(=O)NC(=O)CNCCCNC(=O)Cc1cc[nH]n1 1156081656 ODUDVZZPBMEOCH-UHFFFAOYSA-N 322.369 -0.940 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)[C@H]2CCCNC2=O)C1=O 1160433434 MODJPTGGOCLFBA-STQMWFEESA-N 322.409 -0.605 30 20 DBED C=C(C)CN(CC)C(=O)CNCCCNC(=O)c1nnn(C)n1 1164153748 XHFJJFFKNVBPIE-UHFFFAOYSA-N 323.401 -0.656 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)c1cccnc1OC 1165759936 AWXSIWGRLBBYCI-GFCCVEGCSA-N 318.377 -0.062 30 20 DBED C=CCNC(=O)CNCCCNC(=O)COC[C@@H]1CCOC1 1167528540 YNFLJVHPUUVZMJ-CYBMUJFWSA-N 313.398 -0.562 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCCN[C@@H]1CCC(=O)NC1=O 1168101375 SBHCDNIEYQFVOE-SCRDCRAPSA-N 323.393 -0.131 30 20 DBED C[C@H](CCCCNCC#N)NC(=O)CCn1ncn(C)c1=O 1171912441 DBOPZKWNVXSQIV-GFCCVEGCSA-N 308.386 -0.240 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)CCC(=O)NCC)C[C@@H]21 1176962573 KGGIQRZDLZKDKW-KBPBESRZSA-N 307.394 -0.162 30 20 DBED C=CCOCCN1CCO[C@@H]2CCN(C(=O)c3cnn[nH]3)C[C@@H]21 1177042753 RNGZCCIZKRXZAU-UONOGXRCSA-N 321.381 -0.077 30 20 DBED CC#CCN1CCO[C@@H]2CCN(C(=O)CCCC(N)=O)C[C@@H]21 1177162598 MQXHIOWFXDJJBU-UONOGXRCSA-N 307.394 -0.033 30 20 DBED CCN(CCC#N)C(=O)CN[C@@H]1CCN(C(=O)[C@H](O)C(C)C)C1 1182295363 HFWNUOMOIFCWDL-UKRRQHHQSA-N 324.425 -0.044 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@@H](NCCN2CCCC2=O)C1 1182472843 IUCLBWXZLIQJGJ-ZIAGYGMSSA-N 307.394 -0.162 30 20 DBED C#CCNC[C@]1(C)CN(C(=O)CN2C(=O)CNC2=O)C[C@H]1C 1183356706 QSWDTHYRQPGQQY-IAQYHMDHSA-N 306.366 -0.754 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2ccc(C)nc2O)C1 1185904945 KGGPDVGYMDTUPC-GFCCVEGCSA-N 316.361 -0.351 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)CCc2cn[nH]c2)C1 1186205678 DATIHDXJRNZBMW-CYBMUJFWSA-N 305.382 -0.165 30 20 DBED N#CCNC[C@H]1CN(C(=O)[C@H]2CNC(=O)N2)CC12CCOCC2 1186463927 CHFRRYIDOYKPOB-NWDGAFQWSA-N 321.381 -0.964 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)CCCC(=O)NCC)C1 1187184455 IGKHFTSFEBDPSW-CYBMUJFWSA-N 322.409 -0.767 30 20 DBED Cc1nonc1CN1C[C@@H](O)[C@H](NC(=O)CSCC#N)C1 1191162346 RJWXYRJZBMPDOT-GHMZBOCLSA-N 311.367 -0.704 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)c2nccnc2N)C1 1191822222 BSZHXDRKAPPQKW-GHMZBOCLSA-N 307.354 -0.964 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2C)C1 1191931051 PAGPBUGOQBGROJ-CHWSQXEVSA-N 322.409 -0.558 30 20 DBED N#Cc1cccc(CN2C[C@@H](O)[C@H](NC(=O)CC(N)=O)C2)c1 1191967768 QNXLPNOFXJJEGJ-CHWSQXEVSA-N 302.334 -0.905 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(CCC(C)(C)C)C[C@H]1O 1192395911 IHNFIKZTMQKIFP-CHWSQXEVSA-N 309.410 -0.277 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)COc2ccccc2OC)C1 1198599436 FXGGGZPUIIOBAW-CHWSQXEVSA-N 304.346 -0.132 30 20 DBED C#CCN1CCC(C(=O)N[C@@H]2CN(CCCOC)C[C@H]2O)CC1 1199029597 MHNJGFHYERAPNK-HZPDHXFCSA-N 323.437 -0.471 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC(NCc2nncn2C)CC1 1200495906 YJADIOIVBAHSLU-LBPRGKRZSA-N 305.382 -0.066 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC(NCC(=O)NC2CC2)CC1 1200532766 XZMWVCUTXGBYIR-GFCCVEGCSA-N 307.394 -0.116 30 20 DBED COCC#CCNC1CCN(C(=O)C(=O)NCC(F)F)CC1 1201406037 IJFIYBJDMJEAAX-UHFFFAOYSA-N 317.336 -0.402 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)CCc2cnn[nH]2)CCCO1 1201431565 ZYTMLXPTOKWGEY-CQSZACIVSA-N 305.382 -0.032 30 20 DBED C=CCNC(=O)[C@@H](C)NC1CCN(C(=O)C2(C(N)=O)CC2)CC1 1202260994 NCUCNBXGBYNSBX-LLVKDONJSA-N 322.409 -0.477 30 20 DBED C#CCOCCC(=O)N1C[C@H]2CC[C@H]1[C@H](NCC(=O)NC)C2 1204332610 AUQHUSZAHKBNLQ-MJBXVCDLSA-N 307.394 -0.259 30 20 DBED CN(C)CC1(C(=O)N2CCC[C@H](NCC(=O)NCC#N)C2)CC1 1209277112 FZNGTZUZLPDNGY-ZDUSSCGKSA-N 321.425 -0.451 30 20 DBED C#CCCN[C@H]1CCCN(C(=O)CN2C(=O)CN(C)C2=O)C1 1210985259 RNHJJGAUKHPQHB-LBPRGKRZSA-N 306.366 -0.516 30 20 DBED C#CCCCC(=O)N[C@@H]1CN([C@@H](C)c2nnnn2C)C[C@H]1OC 1212187457 UCGHQIMUGVTETP-YNEHKIRRSA-N 320.397 -0.110 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)c2ccncc2)C1 1219098793 SAIKESSIFJOSGY-YUTCNCBUSA-N 318.377 -0.453 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(Cc2noc(C3CC3)n2)C[C@@H]1O 1219347696 POSKLMBDPBABOG-NEPJUHHUSA-N 322.365 -0.189 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2ncoc2CC)C1 1219403980 CFRZTNWFIZNVSI-MNOVXSKESA-N 322.365 -0.686 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(CC(=O)NCCC)C[C@@H]1O 1219536772 YVQDNRKELRAMRQ-XUJVJEKNSA-N 313.398 -0.999 30 20 DBED C=CCCCN1C[C@H](O)[C@H](NC(=O)c2nnc(O)nc2O)C1 1219947913 WVRLWZUVRBLAEI-BDAKNGLRSA-N 309.326 -0.976 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@H](OC)C(C)C)C1 1220282993 SELTWRPAAKLDGS-MBNYWOFBSA-N 313.398 -0.879 30 20 DBED C=CCC1(C(=O)N[C@@H]2CN(Cc3nc(O)n[nH]3)C[C@@H]2O)CCC1 1220293586 MRRWONRTJYKNGM-MNOVXSKESA-N 321.381 -0.082 30 20 DBED C=CCC(C)(C)C(=O)N[C@@H]1CN(Cc2nnn(C)n2)C[C@@H]1O 1220434575 QXDCCTMGJVUEOB-MNOVXSKESA-N 308.386 -0.526 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)CCNC(=O)c2cccs2)C1 1220958199 WYSKKUUZRNHKBQ-NEPJUHHUSA-N 321.402 -0.338 30 20 DBED C[C@@H](C(=O)NC(N)=O)N1CCC(CNC(=O)[C@H](C)C#N)CC1 1222663599 BQKXHUPOJSBLND-ZJUUUORDSA-N 309.370 -0.442 30 20 DBED C=C[C@@](C)(O)CC(=O)NC1CCN([C@H]2CCC(=O)NC2=O)CC1 1227124698 XIQCCSSYZMJVKE-BLLLJJGKSA-N 323.393 -0.301 30 20 DBED C#CCN1CCS(=O)(=O)[C@H](CCNC(=O)c2ccn(C)c2)C1 1230444332 IKOTYPNVHVVHIP-CQSZACIVSA-N 323.418 -0.123 30 20 DBED C=C[C@](C)(O)CC(=O)N(C)C[C@H]1CCN1CC(=O)NCC#N 1233977533 NPIKYHJPFNBPNU-DOMZBBRYSA-N 308.382 -0.514 30 20 DBED C=CCNC(=O)CN1CC[C@H]1CN(C)C(=O)c1cn(C)nn1 1234089948 WMZPDQPXYRRZGG-NSHDSACASA-N 306.370 -0.736 30 20 DBED CCN(C[C@H]1CCOC1)C(=O)C(=O)N1CC[C@](O)(CC#N)C1 1261484844 LNRQTPKNZYAEJY-IUODEOHRSA-N 309.366 -0.252 30 20 DBED C#CC[C@H](NC(=O)CCCCCS(N)(=O)=O)C(=O)OC 1261516831 AXJPEKHPXVRYDI-JTQLQIEISA-N 304.368 -0.484 30 20 DBED C#CCN1CCC[C@H](NC(=O)C(=O)Nc2ccc(=O)n(C)c2)C1 1262094106 VPTHYQRKOJONNI-LBPRGKRZSA-N 316.361 -0.462 30 20 DBED C=CCSCCNC(=O)C(=O)N1CCOC[C@H]1CCO 1262230450 FNNCDCCTRQTUCY-LLVKDONJSA-N 302.396 -0.368 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)OCc2nnc(C)o2)C1=O 1318195351 HKSXKHZDVUBRAD-UHFFFAOYSA-N 308.250 -0.602 30 20 DBED C#CCSCCNC(=O)C(=O)N1CCC[C@H](C(=O)NC)C1 1324963883 QXKTYEJJGBAPHJ-NSHDSACASA-N 311.407 -0.546 30 20 DBED C=C(CC)CNC(=O)C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 1325823153 PTHOZLZSAOVBBP-NSHDSACASA-N 317.411 -0.391 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)NCCc2ccccn2)C1 1326091410 CPPDQSJHZYTJTN-HNNXBMFYSA-N 302.334 -0.383 30 20 DBED C=CCn1c(-c2cnccn2)nnc1S(=O)(=O)[C@@H](C)C(N)=O 1327854096 URSABIPFKVLFIK-QMMMGPOBSA-N 322.350 -0.431 30 20 DBED C[C@@H]1CN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)CC[C@H]1O 1329511717 VAPLQLFKOJZUTO-MRVWCRGKSA-N 320.393 -0.586 30 20 DBED C#CCSCCNC(=O)C(=O)N1C[C@H](O)C[C@@H]1COC 1329830726 VEVZMHZVRYXXKW-GHMZBOCLSA-N 300.380 -0.923 30 20 DBED CCN(CC)C(=O)CNC(=O)CCN/C(O)=C1/N=CC=CC1=O 1329891612 NWZDWMRORBGUFV-PFONDFGASA-N 322.365 -0.113 30 20 DBED C#CC[C@H](CO)NC(=O)Cc1ccc(S(N)(=O)=O)s1 1330832337 QOIPJWAZRIXWEF-MRVPVSSYSA-N 302.377 -0.562 30 20 DBED C#CCOCCC(=O)N1CCC(n2cc(C(N)=O)nn2)CC1 1331809630 QYUCCFZRDRTTFD-UHFFFAOYSA-N 305.338 -0.420 30 20 DBED C[C@@H](O)CC(C)(C)CNC(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1332243234 IOYNXCWTDJPMFS-ABAIWWIYSA-N 311.382 -0.223 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCC(n2cc(C(N)=O)nn2)CC1 1335103872 XHCTVZYDLDYVIN-SNVBAGLBSA-N 306.370 -0.295 30 20 DBED C[C@H](CN1CCOCC1)N(C)C(=O)C(=O)N1CCC[C@@H](C#N)C1 1336473419 MCDGNLNANMBFGR-KGLIPLIRSA-N 322.409 -0.072 30 20 DBED C=CCOCCn1nnnc1N1C[C@H](C)S(=O)(=O)[C@@H](C)C1 1337243359 VDPDGLVSHUOGHW-QWRGUYRKSA-N 315.399 -0.113 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N[C@H]1CCO[C@@]2(CCOC2)C1 1342865504 PLSREEAYMNPDPG-XUJVJEKNSA-N 312.366 -0.242 30 20 DBED CC[C@@H]1C[C@H]1NC(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1346279116 ZIRHJKWUMCJZIJ-CMPZMUMBSA-N 320.349 -0.456 30 20 DBED C#CCSCCNC(=O)C(=O)N1CCN2CCOC[C@H]2C1 1346610599 OIWVSPRMKIXSFF-GFCCVEGCSA-N 311.407 -0.988 30 20 DBED C=CCOCCNC(=O)C(=O)N1CCC(C(=O)NOC)CC1 1352392195 VZNXGOOJRMWMHF-UHFFFAOYSA-N 313.354 -0.779 30 20 DBED C[C@@H](CN(C)C(=O)c1cc(C#N)c[nH]1)NC(=O)[C@H]1COC(=O)N1 1370471767 FIOOMONIWAFNBQ-GZMMTYOYSA-N 319.321 -0.429 30 20 DBED CCNC(=O)CN(CCO)C1CCN(C(=O)[C@@H](C)C#N)CC1 1375684300 DWCPHFPFQDYIMT-LBPRGKRZSA-N 310.398 -0.433 30 20 DBED C[C@H](C#N)C(=O)NCCN1CCN(CCc2cnn(C)c2)CC1 1389408879 KNUNHTJMUUNECP-CQSZACIVSA-N 318.425 -0.144 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1ccnc(C2CC2)n1 1392154023 BEORPTMVYJJCPP-MWLCHTKSSA-N 317.349 -0.279 30 20 DBED CC(C)[C@@H](O)C(=O)N1CCN(CCNC(=O)[C@@H](C)C#N)CC1 1396889554 OZCJQUDUOANMMW-QWHCGFSZSA-N 310.398 -0.577 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CCN(C(=O)c2cc(C(N)=O)c[nH]2)C1 1407564725 YHLPODDNSVWZDK-WCBMZHEXSA-N 303.322 -0.396 30 20 DBED CCS(=O)(=O)CC(=O)NC1CN(C(=O)c2ccc(C#N)[nH]2)C1 1409063181 RIDVSDZCQLBTFN-UHFFFAOYSA-N 324.362 -0.738 30 20 DBED C[C@@H](C#N)C(=O)NC1CCN(C(=O)[C@@H](C)S(C)(=O)=O)CC1 1414673660 QUQKJVGLNUHVEC-VHSXEESVSA-N 315.395 -0.314 30 20 DBED Cc1cc(C(=O)NCCN2CCN(C(=O)[C@H](C)C#N)CC2)n[nH]1 1414747464 LFUSUILJFQVOOC-LLVKDONJSA-N 318.381 -0.248 30 20 DBED C=C(Cl)CN[C@H](C)CNC(=O)CNS(=O)(=O)N(C)C 1419863077 PTIVYDZEHGGRRC-SECBINFHSA-N 312.823 -0.771 30 20 DBED COCC(=O)N(C)CC(=O)N(C)C[C@@H]1CCN1C(=O)[C@@H](C)C#N 1426779564 YDIYDMCDNWVJAU-RYUDHWBXSA-N 324.381 -0.690 30 20 DBED Cc1c[nH]nc1C(=O)N1CCN(CCNC(=O)[C@@H](C)C#N)CC1 1429800211 PGJVGSQPHBWPQS-NSHDSACASA-N 318.381 -0.248 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)c2ccc3nnnn3c2)CC1 1432299348 XBNNFSOWLVIZQA-VIFPVBQESA-N 313.321 -0.337 30 20 DBED C[C@@H](C#N)C(=O)N1CCCN(C(=O)CCS(C)(=O)=O)CC1 1453722748 PSHWSOSQAPNRNK-NSHDSACASA-N 315.395 -0.358 30 20 DBED C=C(Br)CNC[C@H](O)CNC(=O)[C@H]1CCN(C)C1 1482790652 GXDWPKZWJVXGPK-QWRGUYRKSA-N 320.231 -0.087 30 20 DBED C=CCn1c([C@@H](C)CO)nnc1N1CC[C@@H]2OCC(=O)N[C@H]2C1 1520497885 UDEQDHVMCNBTBN-SRVKXCTJSA-N 321.381 -0.346 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H](C)CN=c1cc[nH]c(C(=O)O)n1 1573311202 JWFMIQPHCYRSJL-ZJUUUORDSA-N 306.322 -0.448 30 20 DBED C#CCNC(=O)C1CCN(C(=O)c2cc(C(=O)O)n[nH]2)CC1 1573327680 TUXWKYTZJPOESU-UHFFFAOYSA-N 304.306 -0.291 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N1CC[C@@H]2[C@H](C1)[C@@H]2C(=O)O 1573396987 CBNXQOYUXXUQDK-CHWFTXMASA-N 301.368 -0.025 30 20 DBED CN(CCC#N)S(=O)(=O)NCc1ccnc(-c2nn[nH]n2)c1 1579107259 ZEIRQMGQPOYQFY-UHFFFAOYSA-N 322.354 -0.558 30 20 DBED COc1ccc(CNC(=O)[C@@H]2CN(C)C(=O)CN2)cc1C#N 1579213295 HWSIOLFCHFTPRZ-LBPRGKRZSA-N 302.334 -0.387 30 20 DBED CNC(=O)N[C@H]1CCN(c2cnc(C#N)c(-c3nn[nH]n3)n2)C1 1579402721 NLHJLYFZTPUSEG-ZETCQYMHSA-N 314.313 -0.964 30 20 DBED N#C[C@@H]1CSCCN1C(=O)C[C@@H]1CNCCS1(=O)=O 1580044916 MCOBNWFDUXBCOO-NXEZZACHSA-N 303.409 -0.769 30 20 DBED C#C[C@H](NC(=O)[C@H]1CCCN(CC(=O)O)C1=O)C1CCOCC1 1588387537 KEDCNUNIWKCGQS-OLZOCXBDSA-N 322.361 -0.146 30 20 DBED C#CCCN1CCN(C(=O)Cn2cccc(C(=O)O)c2=O)CC1 1588453571 CXHUBRKJAVOUEE-UHFFFAOYSA-N 317.345 -0.286 30 20 DBED C=CC(C)(C)C(=O)NC[C@@H](CO)N=c1cc[nH]c(C(=O)O)n1 1588672439 SDMFTKHQEGPBTG-VIFPVBQESA-N 308.338 -0.302 30 20 DBED COCC[C@@H]1COCCN1c1cnc(-c2nn[nH]n2)c(C#N)n1 1591403367 LZZCBXFOOHMKBV-SECBINFHSA-N 316.325 -0.230 30 20 DBED C[C@@H](C(=O)N(C)CC(=O)N(CC#N)CCC(=O)O)n1cccn1 1603133417 LHQUDLFRKCRIPX-NSHDSACASA-N 321.337 -0.271 30 20 DBED Cc1nc(C2CN(c3cnc(-c4nn[nH]n4)c(C#N)n3)C2)n[nH]1 1606040009 IAXSTVRUMHOZSX-UHFFFAOYSA-N 309.297 -0.441 30 20 DBED CN(CCC#N)C(=O)C(=O)Nc1cccc(-c2nn[nH]n2)n1 1609274420 LPDKBYGSBRBKLZ-UHFFFAOYSA-N 300.282 -0.428 30 20 DBED N#CCNC(=O)CNC[C@H]1CCCN1C(=O)Cc1ccon1 1666407373 PSSQKLRQDBGQFU-GFCCVEGCSA-N 305.338 -0.563 30 20 DBED CCNC(=O)NC(=O)CNC[C@H]1CCCN1C(=O)C#CC1CC1 1666415107 IDTNBDMUAPTMDU-CYBMUJFWSA-N 320.393 -0.174 30 20 DBED O=C(C#CC1CC1)N[C@H]1CCN(C[C@H](O)Cn2cccn2)C1 1713949983 BLVMHJVZMJGROF-GJZGRUSLSA-N 302.378 -0.152 30 20 DBED CC(C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1nnn(C)n1 1750652107 YOWZULXMLMAFAO-SNVBAGLBSA-N 317.357 -0.298 30 20 DBED COCC#CCN(C)CCCNC(=O)Cn1nnnc1C(C)C 1752077124 UGDYBRXANFGRPH-UHFFFAOYSA-N 322.413 -0.116 30 20 DBED Cc1nc(C(=O)NC[C@@H](NCC#N)C2CC2)nn1-c1nc[nH]n1 1752472457 JHYUGQFYUWCJHS-SNVBAGLBSA-N 315.341 -0.685 30 20 DBED C=C(C)CN(CC)C(=O)[C@H](C)N[C@H]1C[C@@H](NC(=O)C(N)=O)C1 1752757947 LVQSBBKDOCQCBA-SDDRHHMPSA-N 310.398 -0.478 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC[C@@H](CNC(=O)c2cnn[nH]2)C1 1752782495 MRAHZFOEKAJCCE-NEPJUHHUSA-N 318.381 -0.616 30 20 DBED C#CCNC(=O)CN1CC[C@H](CNC(=O)[C@H](CCC)OC)C1 1753131579 YFTRMQXIZMOWBG-KGLIPLIRSA-N 309.410 -0.011 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC(NC(=O)c2c(C)ccn2C)C1 1753375782 UWOFMDREBZKTSI-GFCCVEGCSA-N 302.378 -0.115 30 20 DBED C=CCOCCN1CC(CNC(=O)c2cc(=O)n(C)cn2)C1 1753404222 XDYCIJSPNTUUJI-UHFFFAOYSA-N 306.366 -0.356 30 20 DBED C#CCNC(=O)CNC[C@H](C)N(C)C(=O)Cc1cncs1 1753698106 WQALUKIQMQLAPI-NSHDSACASA-N 308.407 -0.129 30 20 DBED C=CCCNCC[C@@H](C)NC(=O)Cn1ccc(=O)n(C)c1=O 1753985767 WOEIMPWSRKKTCT-GFCCVEGCSA-N 308.382 -0.393 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H](C)CN(C)CC(=O)NCC#N 1754312527 BPASPIBXURGLIQ-KBPBESRZSA-N 319.409 -0.840 30 20 DBED C=CCNC(=O)[C@H](C)N1CC[C@@H]1CNC(=O)CNC(=O)C1CC1 1754473118 GXENUZDJTDSWSY-WCQYABFASA-N 322.409 -0.606 30 20 DBED C=C(Cl)CNC1(CNC(=O)CC[C@H]2NC(=O)NC2=O)CC1 1754533668 XJQMELAPZFNYPW-SECBINFHSA-N 314.773 -0.035 30 20 DBED C#CCNC(=O)CN1CC(N(C)C(=O)Cc2cnccc2C)C1 1754578881 VWCMFWJULICBRM-UHFFFAOYSA-N 314.389 -0.175 30 20 DBED C=CCNC(=O)CNC1(CNC(=O)[C@H]2C[C@@H]2C(=O)OC)CCC1 1754978632 MQGJMZCFKOIXQB-RYUDHWBXSA-N 323.393 -0.274 30 20 DBED C#CCCCC(=O)N[C@@H]1COC2(C1)CN(Cc1nnnn1C)C2 1755058734 KCEUQJDCEIWMAS-LBPRGKRZSA-N 318.381 -0.527 30 20 DBED C#CCCN1CCC(CO)(NC(=O)CCC(=O)NCC)CC1 1755180399 YLZBOXUKRLUSRC-UHFFFAOYSA-N 309.410 -0.131 30 20 DBED C=CCN1C[C@@H]2C(CNC(=O)Cn3nc(C)n(C)c3=O)[C@H]2C1 1755433065 ALWVLYWKAALMKA-CHWSQXEVSA-N 305.382 -0.630 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H](CO)CNC(=O)c1c(C)ccn1C 1755625347 JHHSVKFWGMNMGO-QWHCGFSZSA-N 322.409 -0.295 30 20 DBED C=CCN[C@@H](CO)CNC(=O)c1cn(C[C@H]2CCOC2)nn1 1755644008 VLNLYZMQMQNAJY-VXGBXAGGSA-N 309.370 -0.819 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H](NC(=O)COC)CC[C@H]1C 1756786292 DRXNIKQVLYCSGB-VXGBXAGGSA-N 309.366 -0.732 30 20 DBED COC(=O)c1c[nH]nc1S(=O)(=O)N[C@@H](CCC#N)C(=O)O 1777131138 KXAJEPINQRYUQL-ZETCQYMHSA-N 316.295 -0.768 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)Cc1cnccn1)CCO2 1783046065 JEQWWCOBYXWVTQ-INIZCTEOSA-N 314.345 -0.518 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cncn1C 1794836475 XJXAEFNTQMPIEB-GNXNZQSNSA-N 302.334 -0.744 30 20 DBED N#CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](N)CN)CC1 1827582265 JFBYDMNPSXZSOH-KBPBESRZSA-N 321.425 -0.194 30 20 DBED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(C)CC2)c1 55169259 LXIJGQHJFSQVGF-UHFFFAOYSA-N 321.402 -0.014 30 20 DBED C#CCCN1CCN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)CC1 64432528 JGIGHNJWDYILDL-UHFFFAOYSA-N 324.406 -0.546 30 20 DBED CC/N=C(/NCCOC)N1CCN(C(=O)[C@H]2CCCO2)CC1 114086427 VONFWHZPOBBCJD-CYBMUJFWSA-N 312.414 -0.079 30 20 DBED C#CCOCCC(=O)NC1CCN(S(=O)(=O)CC)CC1 179252200 UYOJNQMEMWGKRQ-UHFFFAOYSA-N 302.396 -0.043 30 20 DBED CCOC(=O)CO/N=C(/C(=O)Nc1ncn(C)n1)c1cc[nH]n1 294703691 VIAJJJRFTCEEQZ-VCHYOVAHSA-N 321.297 -0.539 30 20 DBED CCC1(O)CN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 298485687 RYCPMHFDYGKFNX-UHFFFAOYSA-N 323.374 -0.180 30 20 DBED CNC(=O)CO/N=C(\N)CN1CCN(c2ccccc2)CC1 299107619 XUWJVUYIJHJZEV-UHFFFAOYSA-N 305.382 -0.157 30 20 DBED C[C@@H](/N=C(/O)c1cnc2[nH]nnc2c1)C(=O)N1CCOCC1 329151260 SHVGSOPJQUWXBX-MRVPVSSYSA-N 304.310 -0.095 30 20 DBED CC(C)N1CC[C@H](/N=C(/O)N2CCN3C(O)=NC[C@H]3C2)C1=O 329787707 YYLZWVNGYTXGQQ-QWRGUYRKSA-N 309.370 -0.177 30 20 DBED CC[C@H](/N=C(/O)N1CC(=O)N(CC)C1)C(=O)N1CCOCC1 330160526 RGCMPWWETAOIRC-NSHDSACASA-N 312.370 -0.341 30 20 DBED COC(=O)[C@H](O)C(C)(C)NS(=O)(=O)N(C)[C@@H](C)CC#N 332518478 QJZFABDSDGYISE-IUCAKERBSA-N 307.372 -0.633 30 20 DBED C[C@H](C(=O)N(C)CCC#N)N1CCc2c(ncn(C)c2=O)C1 332718086 NCBVRAKSYSWSQZ-LLVKDONJSA-N 303.366 -0.101 30 20 DBED COC(=O)[C@H](C)CN(C)S(=O)(=O)N1CCO[C@H](C#N)C1 336898684 AKRDUBLCJWTNDT-NXEZZACHSA-N 305.356 -0.804 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@H](C)C[S@](C)=O 336938318 HNPIMNCHNHVYRL-MGNBDDOMSA-N 311.429 -0.550 30 20 DBED CC#CCNC(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 342430986 JQVPGAIUOHZKKQ-JTQLQIEISA-N 301.368 -0.998 30 20 DBED N#CCNC(=O)CNC(=O)CNC(=O)NCc1ccc(F)cc1 344183548 WSMHSTATAMZWBV-UHFFFAOYSA-N 321.312 -0.619 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 345636937 ZSLKMEWUUBLBNR-JTQLQIEISA-N 312.351 -0.192 30 20 DBED CC(C)NS(=O)(=O)CCCS(=O)(=O)NC1(C#N)CC1 349571133 FLVFFNZCOQRJJJ-UHFFFAOYSA-N 309.413 -0.320 30 20 DBED C[C@H]1OCC[C@]12CN(S(=O)(=O)N(C)CCC#N)CCO2 359932468 GREGDMZREPLKLA-NEPJUHHUSA-N 303.384 -0.044 30 20 DBED CC(C)OC[C@H]1CN(c2c(C#N)c(=O)n(C)c(=O)n2C)CCO1 364214617 HLARRZPIAUGMQB-LLVKDONJSA-N 322.365 -0.414 30 20 DBED CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@@H](O)[C@@H]1C(=O)OC 372556837 KUODZCLVWLPZSJ-YRGRVCCFSA-N 311.382 -0.007 30 20 DBED Cc1onc(N)c1S(=O)(=O)N1CCN(C2CC2)[C@H](C#N)C1 377884965 QGRCKSFNDBMMAD-SNVBAGLBSA-N 311.367 -0.074 30 20 DBED CC[C@H](C)N(CC(=O)O)S(=O)(=O)N1CCO[C@H](C#N)C1 417422094 NPOVTZCIZJWWPE-VHSXEESVSA-N 305.356 -0.359 30 20 DBED COCCCS(=O)(=O)NCC(=O)N[C@@H](C#N)C(C)(C)C 427487449 PFSAEIZQFREHJX-JTQLQIEISA-N 305.400 -0.003 30 20 DBED COC(=O)[C@@H](NS(=O)(=O)c1ccc(C#N)s1)[C@@H](C)O 435443529 QSDVZMXEXWGTIU-MUWHJKNJSA-N 304.349 -0.180 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@](C)(O)C(C)C)CC1 491014971 UMTMQQBRAFYUMP-MRXNPFEDSA-N 309.410 -0.323 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CCCCN2CC)CC1 491803700 JPEPTQOITYBWPI-OAHLLOKOSA-N 320.437 -0.246 30 20 DBED COC(=O)CNC(=O)CNC(=O)c1cc(C#N)cc(N(C)C)c1 572541301 YQMWJXDLYFBDIM-UHFFFAOYSA-N 318.333 -0.357 30 20 DBED COC(=O)c1ccc(N2CC[C@@H]3OCC(=O)N[C@H]3C2)c(C#N)n1 584301954 MEVCRKVRJDXMIW-AAEUAGOBSA-N 316.317 -0.166 30 20 DBED CN1CCN(CCCS(=O)(=O)N2CCOC[C@H]2C#N)CC1 601357446 CIWKNVOJKIZSGN-CYBMUJFWSA-N 316.427 -0.822 30 20 DBED N#CCC1(CN[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)CC1 602790447 JLYOPKSGHIPYRF-CHWSQXEVSA-N 313.423 -0.232 30 20 DBED CN1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CC1(C)C 603374720 NFPLPYSIIQLEAT-NSHDSACASA-N 302.400 -0.518 30 20 DBED Cc1onc(CC(=O)NC2CC(NS(C)(=O)=O)C2)c1C#N 619778774 SIAGCZBJDASNHZ-UHFFFAOYSA-N 312.351 -0.406 30 20 DBED CC#CC[C@H](CO)NC(=O)c1csc(S(N)(=O)=O)c1 649192748 OXCLNWOHTUAKNN-SECBINFHSA-N 302.377 -0.100 30 20 DBED COC(=O)C[C@H]1CCCN1C(=O)C(=O)Nc1cnn(CC#N)c1 746455955 VPNFIGUKZHTWOW-LLVKDONJSA-N 319.321 -0.101 30 20 DBED Cn1nncc1C=NNC(=S)NCCCN1CCOCC1 751129680 KBYNTLVKDATRHI-UHFFFAOYSA-N 311.415 -0.665 30 20 DBED CCS(=O)(=O)NCC(=O)OCC(=O)N[C@](C)(C#N)C1CC1 767386957 LYXWLAWORLRXQS-GFCCVEGCSA-N 317.367 -0.723 30 20 DBED Cc1cc(S(=O)(=O)NN2CC(=O)N(C)C2=O)ccc1C#N 767514941 OMIHOPFBJSVRGN-UHFFFAOYSA-N 308.319 -0.046 30 20 DBED CC(C)(NS(C)(=O)=O)C(=O)OC1CCN(CC#N)CC1 770784380 MHTQOXORBBZQAL-UHFFFAOYSA-N 303.384 -0.155 30 20 DBED CC1=CC(=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC1 771898310 WSFPOMPBLWDDOG-UHFFFAOYSA-N 312.351 -0.542 30 20 DBED C#C[C@H](N[C@H](C)C(=O)N1CCC[C@@H](C(N)=O)C1)[C@H]1CCCO1 775797099 ALESWDOCZSFQPB-YIYPIFLZSA-N 307.394 -0.131 30 20 DBED C#C[C@H](NC(=O)N1CCO[C@H](CNC(C)=O)C1)[C@H]1CCCO1 776231066 NOOKICZJPMJXTH-HZSPNIEDSA-N 309.366 -0.286 30 20 DBED N#CC1(CS(=O)(=O)NC(=O)[C@@H]2CCCCS2(=O)=O)CC1 793196055 RIZMEWYTJGKFNB-VIFPVBQESA-N 320.392 -0.297 30 20 DBED N#CCNC(=O)CNC(=O)c1cc([N+](=O)[O-])c2nsnc2c1 804819611 BLHXWEVDOYKRTM-UHFFFAOYSA-N 320.290 -0.031 30 20 DBED C#CCOCCC(=O)O[C@@H](C)C(=O)NCCN1CCOCC1 805970171 CJSQADLHNFLLHY-ZDUSSCGKSA-N 312.366 -0.594 30 20 DBED C#CCNC(=O)CCN[C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O 819123701 ZZZPSHNCDRZMFR-YPMHNXCESA-N 303.366 -0.357 30 20 DBED C=CCCn1cc(C(=O)NS(=O)(=O)[C@H]2CCOC2)nn1 820068032 MMNPCJBTANMTRT-VIFPVBQESA-N 300.340 -0.297 30 20 DBED CC1=NO[C@H](C(=O)NCC#CCNC(=O)[C@H]2CC(C)=NO2)C1 831957416 SFAXTBRABLUXAI-TXEJJXNPSA-N 306.322 -0.448 30 20 DBED C#CCN(C)CCCNC(=O)N[C@@H]1CCc2c(nnn2C)C1 847379373 SVXDUDUYPJBNFP-GFCCVEGCSA-N 304.398 -0.073 30 20 DBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@H]1CCOC(=O)N1 860463613 WYNQLIWYQNJEMJ-SNVBAGLBSA-N 306.326 -0.247 30 20 DBED COC(=O)C1(C#N)CCN(CN2CC3(COC3)CC2=O)CC1 872617219 NYGGSDVFWLADQI-UHFFFAOYSA-N 307.350 -0.028 30 20 DBED C#C[C@@H](NC(=O)N1CC(NS(C)(=O)=O)C1)[C@@H]1CCCO1 875506912 REHNYXCNLYWEPT-MNOVXSKESA-N 301.368 -0.890 30 20 DBED COCCN(CC#N)S(=O)(=O)c1cnn2c1OCCC2 886407621 YYMCHXPTXITLEC-UHFFFAOYSA-N 300.340 -0.174 30 20 DBED N#Cc1ccc(F)c(CNC(=O)C(=O)N2C[C@@H]3C[C@H]2CN3)c1 911404152 WFQSMBJWTMUCRL-RYUDHWBXSA-N 302.309 -0.114 30 20 DBED C#CCN(C)CCCNC(=O)N1CCC[C@H](S(N)(=O)=O)C1 922626731 FLRVIXFEDVWLTE-LBPRGKRZSA-N 316.427 -0.596 30 20 DBED C[C@@H]1COC[C@@H]1NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 928887328 ATHXOYVZGXGKDL-KOLCDFICSA-N 323.374 -0.124 30 20 DBED Cn1nnc(C(=O)N2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)n1 937853411 NYVRSGGACXHMKG-VIFPVBQESA-N 314.309 -0.946 30 20 DBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)[C@H]1CCN(C(=O)C(N)=O)C1 939383934 QJLQMUNTFDWFBJ-AVGNSLFASA-N 323.393 -0.098 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CCN(C(=O)[C@H]3COC(=O)N3)C2)c[nH]1 940099080 PYOLOIZKMJXWFT-MWLCHTKSSA-N 317.305 -0.675 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@@H](NC(=O)C(N)=O)C1 943489392 RRQWVLWEKYILRD-UTUOFQBUSA-N 309.366 -0.440 30 20 DBED N#Cc1ccc(CN2CCN(C(=O)[C@H]3CNC(=O)N3)CC2)s1 949953914 YSYGLPVTDLXXHA-GFCCVEGCSA-N 319.390 -0.055 30 20 DBED CN1CCO[C@@H](C(=O)N(C)C2CN(C(=O)C#CC3CC3)C2)C1 953958309 SLHZJDRCWFWIJF-CQSZACIVSA-N 305.378 -0.600 30 20 DBED COc1cc(C(=O)N(C)C2CN(C(=O)[C@@H](C)C#N)C2)nn1C 954889852 KFDQBZXLPXWXBS-VIFPVBQESA-N 305.338 -0.129 30 20 DBED C#CCN1C[C@H](CNC(=O)c2cn(CCC(C)C)nn2)[C@@H](O)C1 958403282 CGWYLRPRMFDYFO-ZFWWWQNUSA-N 319.409 -0.020 30 20 DBED C#CCOc1ncccc1C(=O)NC[C@H]1CN(CCO)C[C@@H]1O 958593620 ATJWBUFCMCQJDD-JSGCOSHPSA-N 319.361 -0.892 30 20 DBED Cn1ncnc1CN1C[C@H]2[C@H](NC(=O)c3ccc(C#N)[nH]3)[C@H]2C1 958601644 GCAHQBPWQOAFIC-YABSGUDNSA-N 311.349 -0.125 30 20 DBED C=C(C)CN1C[C@@H](O)[C@@H](CNC(=O)c2ccc(C(N)=O)nc2)C1 958747747 CDIYAQZKGJHFAN-GXTWGEPZSA-N 318.377 -0.221 30 20 DBED C#CCCN1C[C@H]2C(NC(=O)c3cn(CCOC)nn3)[C@@H]2C1 959882041 URUSMSOFXLEEQF-VXGBXAGGSA-N 303.366 -0.392 30 20 DBED CC(C)[C@@H](O)C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)C#CC1CC1 960365199 JKHAIVOJZDYUGC-SQWLQELKSA-N 320.389 -0.145 30 20 DBED CCCC(=O)N1CC(S(=O)(=O)N2CCN(CC#N)CC2)C1 961062723 BWEZTVZZPMFSDL-UHFFFAOYSA-N 314.411 -0.532 30 20 DBED C=C(C)CN1C[C@H]2C(NC(=O)CN3C(=O)C(=O)N(C)C3=O)[C@@H]2C1 961942039 XEMBODPMGVINPI-NXEZZACHSA-N 320.349 -0.971 30 20 DBED CC#CCN1C[C@H]2C(NC(=O)c3cn([C@@H]4CCOC4)nn3)[C@@H]2C1 962227668 GORHGLMHXKCGIR-JHJVBQTASA-N 315.377 -0.077 30 20 DBED Cn1cnn(CC(=O)NC2CC3(CC(NCC#N)C3)C2)c1=O 964120754 OYTYPOWTXDQGKY-UHFFFAOYSA-N 304.354 -0.878 30 20 DBED Cn1cc(C(=O)NC[C@@H]2COCCN2C(=O)C#CC2CC2)nn1 964192649 WWJBNVFBXHKLDO-GFCCVEGCSA-N 317.349 -0.814 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H](NC(=O)Cn2cnnc2O)CC1 964846476 UUGGGADYCZHGMG-MNOVXSKESA-N 320.353 -0.359 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2CCCN(C(=O)CC(N)=O)CC2)[nH]1 964853369 SPJMRYQXNVHYHB-JTQLQIEISA-N 317.349 -0.127 30 20 DBED COCC(=O)N1CCOC2(C1)CN(C(=O)c1cc(C#N)c[nH]1)C2 965268649 BMYJWGGGSIXTNR-UHFFFAOYSA-N 318.333 -0.414 30 20 DBED C#CCN1CC[C@H](C)[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C1 966528817 UHDCPFFASXUUJD-STQMWFEESA-N 318.377 -0.993 30 20 DBED C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C1 968682905 VOQDZWMAVNEIRY-RYUDHWBXSA-N 318.381 -0.773 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2CN(C(=O)CSC)C[C@@H]2O)c1 970409488 PRHCCVKOZUNFHQ-OLZOCXBDSA-N 319.386 -0.273 30 20 DBED C=CCN1CC([C@H](C)NC(=O)C2CC3(C2)NC(=O)NC3=O)C1 970565476 AIIRWIOETQOGNG-YLTRJXTNSA-N 306.366 -0.403 30 20 DBED O=C(N[C@@H]1CCN(C(=O)C#CC2CC2)C[C@H]1O)c1ncc[nH]1 991458387 QINQKVWOTIFJLE-VXGBXAGGSA-N 302.334 -0.485 30 20 DBED CN1CC(=O)N(CC(=O)N[C@@]23CCC[C@@H]2N(CC#N)CC3)C1=O 992475101 NCGKNQQKEUTWJB-XHDPSFHLSA-N 319.365 -0.483 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)[C@H]2CN3CC4CC3(CO2)C4)C1 997055943 VLQHWAKORJQXRZ-VIHGGKNESA-N 318.377 -0.664 30 20 DBED C[C@]1(CC(=O)N2CCC[C@@H](NCC#N)C2)CCS(=O)(=O)N1 1000789032 KTJAQRXSOXXLCX-DGCLKSJQSA-N 314.411 -0.438 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@@H]2CCCO2)C1 1000833306 PJCQMRSULOBIGI-GJZGRUSLSA-N 319.405 -0.162 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@H](C)[C@H](NC(=O)C(N)=O)C2)nc1 1005217951 PLHXHFIFMIFYFE-GXFFZTMASA-N 314.345 -0.485 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C(=O)C[C@H]2CCN(C)C2=O)CC1 1011275963 LXAJSQSOMRYSJZ-VXGBXAGGSA-N 306.366 -0.315 30 20 DBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1[C@@H]2CN(C(=O)C(N)=O)C[C@@H]12 1013168353 WISFKJLIEAREGU-WGBDABJCSA-N 321.377 -0.584 30 20 DBED C=CCCN1CC[C@H](NC(=O)CN2CCS(=O)(=O)CC2)C1 1016240916 WMHHMVROXZKZOH-ZDUSSCGKSA-N 315.439 -0.517 30 20 DBED C[C@H](C#N)C(=O)N1CC=C(CNC(=O)[C@@H]2CCC(=O)NC2)CC1 1017560710 LFPQNUFDOYSEQG-DGCLKSJQSA-N 318.377 -0.053 30 20 DBED C[C@H](C#N)C(=O)N1CCCO[C@@H](CNC(=O)c2cncn2C)C1 1019615332 KOZUVYBWBDTOKS-NEPJUHHUSA-N 319.365 -0.073 30 20 DBED C#CCN1CCC(C(=O)N2CC[C@H](N[C@@H]3CCNC3=O)C2)CC1 1019814109 SPSDVYJGMHVKRL-LSDHHAIUSA-N 318.421 -0.589 30 20 DBED O=C(N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O)[C@H]1C[C@@H]1C(F)F 1023570760 QVTNUOJSUOYBRO-NNYUYHANSA-N 312.316 -0.011 30 20 DBED Cc1n[nH]c(C)c1CC(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1O 1023680668 NQHGKNATFKVMTQ-ZEGGKSINSA-N 319.365 -0.583 30 20 DBED C=C(C)CN[C@@H]1CC[C@H]2CN(C(=O)CN3CC(=O)NC3=O)C[C@H]21 1026376547 CGUDGNIZUOXTTA-YNEHKIRRSA-N 320.393 -0.059 30 20 DBED N#CCN[C@@H]1CC[C@H]2CN(C(=O)CN3C(=O)CCC3=O)C[C@H]21 1026416044 PLNGXUFTEPWQPA-QJPTWQEYSA-N 304.350 -0.514 30 20 DBED C#CCOc1ncccc1C(=O)NC[C@@H]1CCCN1CC(N)=O 1028270939 WNSRQMRBDQMMJB-LBPRGKRZSA-N 316.361 -0.227 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2Cc1nc(=O)n(C)[nH]1 1029244585 JFENDRQZHQPFLN-GARJFASQSA-N 304.354 -0.557 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2CC(=O)N1CCOCC1 1029245097 PHUXAVXSVKPFOJ-MELADBBJSA-N 320.393 -0.320 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CN(Cc2nnnn2C)C1 1032047216 QYHREKIVWPWAPC-JSGCOSHPSA-N 320.397 -0.261 30 20 DBED C=CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC(=O)N(CCOC)C1 1032431366 DBVRGWIDRAJZGH-RDBSUJKOSA-N 307.394 -0.048 30 20 DBED CC(C)(C)n1cnc(C(=O)NC[C@H]2CN(CC#N)CCO2)n1 1035508311 ROZNHJZESYYMID-NSHDSACASA-N 306.370 -0.013 30 20 DBED C#CCN1CCO[C@H](CNC(=O)c2cnn(CCN(C)C)c2)C1 1035539433 JVJMHQDCBMNCSG-OAHLLOKOSA-N 319.409 -0.492 30 20 DBED C#CCCN1CCO[C@H](CNC(=O)c2cncc(C(N)=O)c2)C1 1035615245 XEAZZZLUVPXVFA-CQSZACIVSA-N 316.361 -0.366 30 20 DBED C#CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)Cn1nc2ccccn2c1=O 1037524918 CIPIURJJCFSICT-XUJVJEKNSA-N 311.345 -0.682 30 20 DBED C#CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1nc(O)nc(O)c1OC 1037675527 VEPJBYRHPZTUGV-HRDYMLBCSA-N 304.306 -0.668 30 20 DBED C#CCN[C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)C[C@@H]1CC 1037941798 RKGIGAICZNPNJM-NWDGAFQWSA-N 306.366 -0.612 30 20 DBED C#CCCN1CC[C@H]1CNC(=O)[C@H]1CCc2nnc(O)n2C1 1038421325 FGQFHGVDRFGJLM-RYUDHWBXSA-N 303.366 -0.240 30 20 DBED Cc1nc(C(=O)NC[C@H]2CCN2CC#N)nn1-c1nc[nH]n1 1038576146 QGLDXGUCPIMXEJ-SECBINFHSA-N 301.314 -0.979 30 20 DBED C#CCCCC(=O)N1CC[C@](O)(CNC(=O)c2cnnn2C)C1 1039610059 WQVCTSZXBDBXFX-HNNXBMFYSA-N 319.365 -0.688 30 20 DBED Cn1ncc(C(=O)N2CC[C@H]3CN(c4ccc(C#N)nn4)C[C@H]32)n1 1040665408 SSDHQHMPLLDFJF-GXFFZTMASA-N 324.348 -0.172 30 20 DBED C[C@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)c2ccc(O)nc2)C1 1040761522 UCCLHVCLTJYVDJ-MEBBXXQBSA-N 318.333 -0.360 30 20 DBED C[C@@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)CCc2cnc[nH]2)C1 1040765580 JJIJYQQBLVMTRR-XHDPSFHLSA-N 319.365 -0.418 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)[C@H](C)SC)C1 1041623084 HPZRRFGYQRTLCV-QWRGUYRKSA-N 314.407 -0.534 30 20 DBED C=CCN1CC[C@@]2(CCN(C(=O)CN3CC(=O)NC3=O)C2)C1 1041744181 XWIWRWSJRJJSLG-OAHLLOKOSA-N 306.366 -0.351 30 20 DBED CC(C)OCC(=O)NCC1(O)CN(C(=O)c2c[nH]c(C#N)c2)C1 1041843811 QLJVVOQWZUFEQS-UHFFFAOYSA-N 320.349 -0.386 30 20 DBED C=CCCO[C@H](C)C(=O)NCC1(O)CN(C(=O)C(F)F)C1 1041873797 JRUIZMFHKRBJBU-SECBINFHSA-N 306.309 -0.078 30 20 DBED C#CCN1CC[C@H]2CCN(C(=O)c3ccc(=O)n(C)n3)C[C@@H]21 1042340607 HEBXMSMAALHJSL-JSGCOSHPSA-N 300.362 -0.050 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)c2ncccc2C)C1 1042418890 UHXXBZNLPWEWFG-UHFFFAOYSA-N 319.361 -0.104 30 20 DBED C#CCCCCC(=O)NCC1(O)CN(C(=O)c2cn(C)cn2)C1 1042654877 CLDVBJRYHOHKLR-UHFFFAOYSA-N 318.377 -0.083 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)[C@H](COC)OC)C1 1042801634 OJAOTEAODFBYMU-LBPRGKRZSA-N 312.366 -0.859 30 20 DBED C=C(C)CCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCNC(=O)C2)C1 1043310298 DIOPNCKXZDZDDB-GFCCVEGCSA-N 323.393 -0.442 30 20 DBED C=C(C)CCC(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2C(=O)OC)C1 1043310976 IHYXBPZTLXGIQN-VXGBXAGGSA-N 324.377 -0.159 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)[C@@H]2CC23CCOCC3)C1 1045565316 VGTIAZZZLSXPKT-RYUDHWBXSA-N 321.377 -0.348 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)CCc2cnn[nH]2)C1 1046798314 LTGOMVUNPXSRGG-UHFFFAOYSA-N 307.354 -0.607 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)[C@@H](C)[C@H]2CCC(=O)N2)C1 1047048637 YTBRGLKYMCWIBB-NWDGAFQWSA-N 323.393 -0.443 30 20 DBED CCC(=O)N1CCC[C@@H](C(=O)N(C)[C@H]2CN(CC#N)C[C@@H]2O)C1 1047393203 ZKGFEEWJWQLGQX-RDBSUJKOSA-N 322.409 -0.338 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2cnn3ncccc23)C1 1047411792 CCZXOIXHCUOBMW-GJZGRUSLSA-N 313.361 -0.130 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)Cn2ccc(C)cc2=O)C1 1047550110 PDWQAMXXMOIDBU-KBPBESRZSA-N 303.362 -0.707 30 20 DBED C#CCCN1C[C@H]2CN(C(=O)CN3C(=O)CCC3=O)C[C@H]2C1 1049207145 UWZXZUMJQCDDSB-BETUJISGSA-N 303.362 -0.451 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)c1ccn(CCOC)n1 1051020121 QHKPRNJDGAVTMP-CYBMUJFWSA-N 306.366 -0.407 30 20 DBED CC(=O)Nc1cc(C(=O)NC[C@@H]2COCCN2CC#N)ccn1 1051171816 BJWZONMTUOIUQV-CYBMUJFWSA-N 317.349 -0.006 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)c1cn(C)nc1OC)CCO2 1053370695 QBJVITCZONNLNC-UHFFFAOYSA-N 318.377 -0.021 30 20 DBED N#CCN1CC[C@@]2(CCCN(C(=O)Cn3c(O)nnc3O)C2)C1 1054233963 UIIFTFXYDYNGNA-AWEZNQCLSA-N 320.353 -0.473 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)[C@H](C)CC(N)=O)C[C@@H]2C1 1055415873 KHZPUNIVNNLLDC-KXNHARMFSA-N 306.366 -0.426 30 20 DBED C=CCOCC(=O)N1CCC[C@@](CO)(NC(=O)[C@@H](C)C#N)C1 1056092422 AHTOBHBUAJGUAH-SWLSCSKDSA-N 309.366 -0.182 30 20 DBED CN(c1ccnc(C#N)n1)[C@H]1CCN(C(=O)c2cnn(C)n2)C1 1056938579 KNRWWKZVSGBHQA-JTQLQIEISA-N 312.337 -0.172 30 20 DBED O=C(NCCN(CCO)C(=O)C#CC1CC1)[C@H]1C[C@@]12CCOC2 1057535149 KAEYUKSGFRYXHJ-RHSMWYFYSA-N 320.389 -0.237 30 20 DBED Cc1nnc(CC(=O)N[C@@H]2CCN(c3cncc(C#N)n3)C2)o1 1058349161 ZTSVCPHEHLFTEB-SNVBAGLBSA-N 313.321 -0.023 30 20 DBED C=CCCCC(=O)NCCN(CCO)C(=O)c1nnn(C)n1 1058422149 VVWBSPUNIPFSGZ-UHFFFAOYSA-N 310.358 -0.883 30 20 DBED CN1CC[C@@H](C(=O)N[C@H]2C[C@@H](Nc3ccc(C#N)nn3)C2)C1=O 1059786381 OSWZFJLRQMPDBO-TUAOUCFPSA-N 314.349 -0.114 30 20 DBED C=CCOCC(=O)N1CCOC[C@H]1CNC(=O)[C@H](C)OCC 1061334135 HONMUXLQOMZCJK-QWHCGFSZSA-N 314.382 -0.042 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)CCn1ccnn1 1061532759 YNGSDXSUXNCSHM-VXGBXAGGSA-N 320.353 -0.829 30 20 DBED C=CCCCC(=O)NC[C@H]1COCCN1C(=O)CC(=O)NC 1061830085 DHVOZICFONBZBX-LBPRGKRZSA-N 311.382 -0.178 30 20 DBED Cc1ccc(C(=O)N2CCOC[C@@H]2CNC(=O)[C@@H](C)C#N)nn1 1061847354 KXHYLJITYBRPDP-JQWIXIFHSA-N 317.349 -0.098 30 20 DBED Cn1ncc(C(=O)N2C[C@@H]3CC[C@H](C2)N3c2cnc(C#N)cn2)n1 1061972949 KLKIZBKVQWXTPY-TXEJJXNPSA-N 324.348 -0.030 30 20 DBED C=CCCC(=O)NCC1(NC(=O)CN2CC(=O)NC2=O)CCC1 1062687939 USOYFNMWEJHGRT-UHFFFAOYSA-N 322.365 -0.341 30 20 DBED C[C@@H]1CCCN(C(=O)CC(N)=O)[C@@H]1CN=c1cc[nH]c(C#N)n1 1063932501 PZLSXOCXAGXLBT-GHMZBOCLSA-N 316.365 -0.315 30 20 DBED Cc1cc(C#N)nc(N2CC[C@@H]3CN(C(=O)C(N)=O)CC[C@H]32)n1 1064032673 DBOPCJYBWABFRI-ZYHUDNBSSA-N 314.349 -0.431 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)CS(C)(=O)=O)CCO1 1064930377 ZKSKSTMCNILYNS-LLVKDONJSA-N 318.395 -0.659 30 20 DBED CC(C)C#CC(=O)N1CCC[C@@H](NC(=O)c2nnn(C)n2)CC1 1066409474 QSEOBERKJYQEAX-GFCCVEGCSA-N 318.381 -0.020 30 20 DBED N#Cc1cnccc1N1C[C@H](CNC(=O)c2nc[nH]n2)[C@@H](O)C1 1067676065 LVDFXNICYBHVIH-JQWIXIFHSA-N 313.321 -0.702 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@@H](CNC(=O)c3ccncn3)C2)nc1 1067677105 YSNMNRXSJQHAFJ-GXTWGEPZSA-N 324.344 -0.030 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCOC2(CN(C(=O)CCOC)C2)C1 1068396251 JULKYERQXQMHSV-ZDUSSCGKSA-N 324.377 -0.499 30 20 DBED C=CCOCC(=O)NC1(CNC(=O)COC)CCOCC1 1070037858 LPPZSLLZMMORNV-UHFFFAOYSA-N 300.355 -0.383 30 20 DBED C=CCOCC(=O)N1CCC[C@@H](NC(=O)C(C)(C)C(N)=O)C1 1070552057 BDKQVSMMMDKSMG-LLVKDONJSA-N 311.382 -0.192 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)Cc2ccnn2C)CC1 1070958594 JBUZZMOCXPRXQK-UHFFFAOYSA-N 317.393 -0.754 30 20 DBED C=C[C@@](C)(CC)C(=O)N1CCC(=O)NCCN(CC(N)=O)CC1 1070994770 CWWUAPLHYAKIKU-INIZCTEOSA-N 324.425 -0.276 30 20 DBED C=C(C)CN1CCNC(=O)CCN(C(=O)Cn2cncn2)CC1 1071019481 NUIQKILERPYGCH-UHFFFAOYSA-N 320.397 -0.495 30 20 DBED COC(=O)NCC(=O)N1C[C@H](C)[C@H](NC(=O)C#CC2CC2)C1 1071714267 OFDNWZSHGSGKDE-CMPLNLGQSA-N 307.350 -0.281 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(C(=O)CC(=O)NC)C[C@H]1C 1071970803 OFRSHVDFHSRGAH-VXGBXAGGSA-N 311.382 -0.322 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1C 1072184441 WDZCOMHVSCGEDE-CHWSQXEVSA-N 321.381 -0.166 30 20 DBED CN1C[C@H](C(=O)NC[C@@H]2CN(CC#N)CCCO2)CCC1=O 1073902184 WYXPDDDKUHCVAK-CHWSQXEVSA-N 308.382 -0.415 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)CCc3cn(C)nn3)C[C@H]21 1074418933 BXHMCNOETMPWCQ-CABCVRRESA-N 317.393 -0.317 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)CCOCC#C 1076218073 VEIGUMBUHPEIRX-ZDUSSCGKSA-N 321.377 -0.823 30 20 DBED C[C@@H](CCNC(=O)C#CC1CC1)NC(=O)c1c[nH]c(=O)cn1 1076427955 WUEGESZANCVBAU-JTQLQIEISA-N 302.334 -0.192 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)c2cccn3nnnc23)C1 1077056426 VTZAHNBBQBDTCA-CHWSQXEVSA-N 316.365 -0.135 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)c2cn(C)c(=O)cn2)C1 1077414908 GFUPTPMPUBZAFZ-MWLCHTKSSA-N 312.757 -0.692 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2ccnc(-n3ccnc3)c2)C1 1078194682 VFZFGIOUHFASQV-CHWSQXEVSA-N 312.333 -0.434 30 20 DBED CN1CCN(CC(=O)N[C@H]2C[C@@H](NCC#N)C23CCC3)CC1=O 1078663729 SFHIFOGGFOACEN-OLZOCXBDSA-N 319.409 -0.699 30 20 DBED CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)[C@@H]2CN(C)C(=O)N2)C1 1080419614 CNDIKRNGPSFQGO-ONGXEEELSA-N 307.354 -0.771 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1O 1081441579 JOYXADFXIOTTKY-DGCLKSJQSA-N 319.365 -0.832 30 20 DBED C#CCCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2ncn(C)n2)C1 1081454815 FFKWJEMEQBFEKQ-VXGBXAGGSA-N 319.365 -0.832 30 20 DBED Cc1nonc1C(=O)N1C[C@H](O)[C@H](CNC(=O)C#CC(C)C)C1 1081463231 KQIZDRVQUFSVEW-NEPJUHHUSA-N 320.349 -0.413 30 20 DBED C#CCOCCC(=O)NC[C@H]1CN(C(=O)c2cocn2)C[C@@H]1O 1081488256 GDIUECLLFZDVJI-AAEUAGOBSA-N 321.333 -0.736 30 20 DBED C=C(Cl)C(C)(C)C(=O)NC[C@@H]1CN(C(=O)C(N)=O)C[C@@H]1O 1081513147 AYINDENSENQIGS-BDAKNGLRSA-N 317.773 -0.814 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1ccc2nncn2c1 1082232494 JNCKYQSYBUBENK-VXGBXAGGSA-N 300.322 -0.318 30 20 DBED Cn1nc2c(c1C(=O)N1CCO[C@@H]3CN(CC#N)C[C@@H]31)CCC2 1083246186 DMZXJLKPAXFXPS-UONOGXRCSA-N 315.377 -0.042 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)[C@H]2CC(=O)N(C(C)C)C2)C1 1083500619 AVGIFFGJBSGARB-MJBXVCDLSA-N 309.410 -0.019 30 20 DBED O=C(N[C@@H]1CN(CC#Cc2ccccc2)C[C@@H]1O)c1cnn[nH]1 1083597880 SLQOMBBRADPMMX-CABCVRRESA-N 311.345 -0.369 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2CN(Cc3cnon3)C[C@@H]2O)c1 1083764987 HULGHSMDBFHFCF-KGLIPLIRSA-N 313.317 -0.579 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN([C@@H](CC)C(N)=O)C[C@@H]2O)nc1 1083969711 RAJLVTJPPRVBBU-RDBSUJKOSA-N 316.361 -0.898 30 20 DBED N#CCN1C[C@H]2CC[C@H]1[C@H]1CN(C(=O)Cn3cnnn3)C[C@H]21 1087336331 ZWHVDXYTLCZDGV-NDBYEHHHSA-N 301.354 -0.635 30 20 DBED CCC(=O)NCC(=O)N[C@@H](C)C[C@H](C)N=c1cc[nH]c(C#N)n1 1089259615 ONOFVLXYHKOOCP-QWRGUYRKSA-N 318.381 -0.008 30 20 DBED CCOCCC(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1O 1090386352 WBIUHAPGIRHMCC-VXGBXAGGSA-N 305.338 -0.559 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2ccn(CCOC)n2)[C@@H](O)C1 1090419824 CRKSNNNXLIYUMN-HIFRSBDPSA-N 320.393 -0.282 30 20 DBED CCO[C@@H](C)C(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1091081721 HONZBUDZKSMOPI-WCQGTBRESA-N 305.338 -0.561 30 20 DBED CCCN(C)CC(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@@H]1O 1091130168 RTRJDJUHRYDNQW-KGLIPLIRSA-N 317.393 -0.039 30 20 DBED CC(C)c1nnnn1CC(=O)NCCNc1cncc(C#N)n1 1094170506 IGWZHZXARJMLDB-UHFFFAOYSA-N 315.341 -0.314 30 20 DBED C#CCN1CCN(C(=O)c2cc[nH]c2C)[C@@H]2CS(=O)(=O)C[C@@H]21 1094622827 JWHWVNFZNUQKDP-UONOGXRCSA-N 321.402 -0.120 30 20 DBED Cc1noc(C)c1C(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1 1094704335 UOUJAIYTFMVSBM-LLVKDONJSA-N 317.349 -0.170 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)c3cn(C)nc3C)CC2=O)C1 1094714664 ZIEVFXMUKGZSNV-LBPRGKRZSA-N 317.393 -0.071 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)Cn3cncc3C)CC2=O)C1 1094760559 ULAXUTQQWFXRHI-ZDUSSCGKSA-N 317.393 -0.221 30 20 DBED CC#CCN1CC(N2C[C@@H](NC(=O)Cc3cnc[nH]3)CC2=O)C1 1094789279 YWACPPYSCAQECH-ZDUSSCGKSA-N 315.377 -0.623 30 20 DBED C#CCCN1CC(N2C[C@H](NC(=O)c3cccnn3)CC2=O)C1 1094803113 GYHPDXIAZBKGDD-GFCCVEGCSA-N 313.361 -0.485 30 20 DBED N#Cc1nccnc1N1CCC(CNC(=O)CNC(N)=O)CC1 1095338595 GCGDPDDLSHJNBI-UHFFFAOYSA-N 317.353 -0.651 30 20 DBED CN(CCCNC(=O)[C@H]1CNC(=O)N1)c1ccncc1C#N 1095715437 POLHDVWOHFYNCE-LLVKDONJSA-N 302.338 -0.423 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CCCN(c2nccn3nnnc23)C1 1096153194 WTXVWNNUXLYDAN-ZJUUUORDSA-N 300.326 -0.236 30 20 DBED N#Cc1nc(=N[C@H](CNC(=O)[C@@H]2CCC(=O)N2)C2CC2)cc[nH]1 1096697242 JUEGPSIVDJSUAP-WDEREUQCSA-N 314.349 -0.645 30 20 DBED Cc1cc(C#N)nc(N[C@H]2C[C@@H](NC(=O)CCNC(N)=O)C2)n1 1097184243 RWOWMKOZPRBRCL-AOOOYVTPSA-N 317.353 -0.226 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CCCN1C(N)=O)Nc1cncc(C#N)n1 1097918719 AJPYFAXBIVDUOG-ONGXEEELSA-N 317.353 -0.192 30 20 DBED COCC(=O)NCCC(=O)NC[C@H](C)Nc1cnc(C#N)cn1 1098329568 IVYHREIQTQNYIH-JTQLQIEISA-N 320.353 -0.582 30 20 DBED Cn1nnc(C(=O)N2C[C@@H](NCC#N)[C@H](C(F)(F)F)C2)n1 1099292489 OQVVBAZNPWHBBU-RNFRBKRXSA-N 303.248 -0.674 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)c2cc(C)on2)[C@H](O)C1 1099651625 WFFIDICIUMFMNG-WCQYABFASA-N 322.365 -0.550 30 20 DBED Cc1c(CCC(=O)N[C@@H]2CCN(CC#N)C[C@@H]2O)cnn1C 1099853743 VIDREMWSMIWLMF-KGLIPLIRSA-N 305.382 -0.264 30 20 DBED CN1CCO[C@@H](C(=O)NCCN(C)c2ccc(C#N)cn2)C1 1099996848 SCIUMOWKKZWIBS-CYBMUJFWSA-N 303.366 -0.164 30 20 DBED C=CCN1CC[C@H](NC(=O)C2(S(C)(=O)=O)CCC2)[C@@H](O)C1 1100058196 OVQHXXDXDAZKQC-RYUDHWBXSA-N 316.423 -0.309 30 20 DBED C#CCNC(=O)CC(=O)NCC1CC(NCc2cnsn2)C1 1100261619 GSPQCCSXAPZEGA-UHFFFAOYSA-N 321.406 -0.338 30 20 DBED C#CCNC(=O)CC(=O)NCC1CC(NCc2ccon2)C1 1100261770 OFIXFHDPBIHYDJ-UHFFFAOYSA-N 304.350 -0.202 30 20 DBED CCN(CCNC(=O)CS(C)(=O)=O)c1ccc(C#N)nc1 1100470144 AKBPUHDRFXAQLL-UHFFFAOYSA-N 310.379 -0.060 30 20 DBED N#Cc1nccnc1N1CCC[C@@H]1CNC(=O)CNC(N)=O 1100779454 KTCRFHPODSOOTI-SECBINFHSA-N 303.326 -0.898 30 20 DBED N#Cc1nccnc1N1CC[C@@H](CNC(=O)C2(C(N)=O)CC2)C1 1101048806 QCWQSQSWXSWWLQ-JTQLQIEISA-N 314.349 -0.444 30 20 DBED C[C@@H](NS(C)(=O)=O)C(=O)N1C[C@H]2CN(CC#N)C[C@@]2(C)C1 1101375588 ZXDKXOFGCLVEMA-WZRBSPASSA-N 314.411 -0.772 30 20 DBED CN(CCNc1ccc(C#N)nc1)C(=O)CN1C(=O)CNC1=O 1101606677 KQILJPWNXIQSSS-UHFFFAOYSA-N 316.321 -0.625 30 20 DBED C[C@@H](C(=O)N(C)CCNc1cncc(C#N)n1)N1CCOCC1 1101681598 QXIRSCTVQDRGIF-LBPRGKRZSA-N 318.381 -0.061 30 20 DBED CCCn1cc(C(=O)N(C)CCN=c2cc[nH]c(C#N)n2)nn1 1101741710 KHUUCKVWKSCTEW-UHFFFAOYSA-N 314.353 -0.044 30 20 DBED C#CCNC(=O)CC(=O)N(C)[C@H]1CCN(c2cc(C)ncn2)C1 1102693943 QXOXPDFNVNILPX-ZDUSSCGKSA-N 315.377 -0.038 30 20 DBED CC[C@H](CNC(=O)[C@@H]1COC(=O)N1)N=c1cc[nH]cc1C#N 1103052862 LARJCTTWRVUZDI-PWSUYJOCSA-N 303.322 -0.210 30 20 DBED CC[C@@H](CNC(=O)Cn1cncn1)Nc1cncc(C#N)n1 1103085766 HHJDXBLEBSRIOR-JTQLQIEISA-N 300.326 -0.053 30 20 DBED CC(=O)N(C)CC(=O)NC[C@@H](C)CNc1ccc(C#N)nn1 1103876847 XCAHPSRIJVPTNZ-JTQLQIEISA-N 304.354 -0.009 30 20 DBED Cc1nc(CC(=O)N(C)[C@@H](C)CN=c2cc[nH]c(C#N)n2)n[nH]1 1104556509 MJQXBAPYQBDDFK-VIFPVBQESA-N 314.353 -0.302 30 20 DBED C#CCO[C@H](C)C(=O)N(C)[C@@H](C)CNc1nccn2nnnc12 1104682775 CDJPEXSFZDIVRJ-WDEREUQCSA-N 317.353 -0.184 30 20 DBED C=CCCCNCc1cn(C2CN(C(=O)CNC(C)=O)C2)nn1 1105142448 NGZKJLVVEGZFMB-UHFFFAOYSA-N 320.397 -0.147 30 20 DBED C#CCCNCc1cn(C2CN(C(=O)c3cn(C)cn3)C2)nn1 1105211116 HVJZHSJZLUZJCH-UHFFFAOYSA-N 313.365 -0.178 30 20 DBED C#CCCN[C@@H]1C[C@@]2(C[C@H]1O)CN(C(=O)CC(N)=O)[C@@H]2C(C)C 1105610587 LHRNWQKEZBQGID-BQGCOEIASA-N 321.421 -0.149 30 20 DBED Cc1cnn(CC(=O)NC[C@@H](O)CNc2cncc(C#N)n2)c1 1105733832 ZQCKJNBOABHVHQ-LBPRGKRZSA-N 315.337 -0.558 30 20 DBED Cc1cc(=NC[C@H](O)CNC(=O)[C@@H](C)CC(N)=O)c(C#N)c[nH]1 1106060562 XKROLVBXBGATFH-CABZTGNLSA-N 319.365 -0.916 30 20 DBED Cc1nocc1C(=O)NC[C@@H](O)CNc1ccc(C#N)nn1 1106082901 FEBZSACTSTZXLB-JTQLQIEISA-N 302.294 -0.153 30 20 DBED CNC(=O)NCCC(=O)N1C[C@@H](C)[C@H](CNCC#CCOC)C1 1106090201 GMMXWQAUWMQXAY-ZIAGYGMSSA-N 324.425 -0.361 30 20 DBED C[C@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)CCn1ccnn1 1106308191 MZLVRDLVQCCURE-LLVKDONJSA-N 314.353 -0.241 30 20 DBED CCN(CCNc1cncc(C#N)n1)C(=O)CNC(=O)NC 1106983488 QBGMZPOQXFWIHN-UHFFFAOYSA-N 305.342 -0.462 30 20 DBED CC#CCN1CC(n2cc(CNC(=O)CNC(=O)OC)nn2)C1 1107137415 WAPRUFRQSZKWTH-UHFFFAOYSA-N 320.353 -0.870 30 20 DBED CC(C)(C(N)=O)C(=O)NC/C=C/CNc1ccc(C#N)nn1 1107386139 DAUOWYVOLMLPPF-ONEGZZNKSA-N 302.338 -0.056 30 20 DBED CC(C)(F)C(=O)NC[C@]1(C)CN(CC(=O)NCC#N)CCO1 1107686911 FJJVYMSCGUAXGP-CQSZACIVSA-N 314.361 -0.419 30 20 DBED C=CCNC(=O)[C@H](C)N1CC(N2C[C@H](NC(=O)CC)CC2=O)C1 1108490801 AKEIWDNWWIKCPM-NWDGAFQWSA-N 322.409 -0.512 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CC(=O)N(C2CN(CCOC)C2)C1 1108546625 ZTCYSDRISJVQQT-QWHCGFSZSA-N 323.393 -0.928 30 20 DBED CCCCCCCN1CC(N2C[C@@H](NC(=O)C(N)=O)CC2=O)C1 1108566818 OIWOWGJTYHCHBH-LBPRGKRZSA-N 324.425 -0.157 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H]2C[C@H](NCCOC)C[C@H]1C2 1108664837 NSPUPDUGGOIWJU-MELADBBJSA-N 307.394 -0.259 30 20 DBED N#Cc1ccc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)CCn2cnnn2)nc1 1109719790 HFZYLNQKHOFOEJ-TYNCELHUSA-N 324.348 -0.277 30 20 DBED C=C(C)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CNC(=O)CNC(C)=O 1110734404 MUTQLKPICPSUEE-MCIONIFRSA-N 322.409 -0.464 30 20 DBED C[C@H](NC(N)=O)C(=O)N[C@]1(C)CCN(c2nccnc2C#N)C1 1110745238 GCAHKMBJFSLPFC-LKFCYVNXSA-N 317.353 -0.510 30 20 DBED C[C@H]1CN(C(=O)CNC(N)=O)C[C@@H]1CN=c1cc[nH]cc1C#N 1111241058 OANUJBMJSKFVDL-JQWIXIFHSA-N 316.365 -0.450 30 20 DBED N#Cc1ccc(N2C[C@H]3CN(C(=O)CNC(N)=O)C[C@H]3C2)nc1 1111286286 CUBFQHSQUIBUEO-TXEJJXNPSA-N 314.349 -0.484 30 20 DBED N#Cc1cnc(NC2(CNC(=O)Cn3cnnn3)CCC2)cn1 1111754841 WHTGFRPIDZCLMG-UHFFFAOYSA-N 313.325 -0.514 30 20 DBED CN(CCCN(C)c1nccnc1C#N)C(=O)[C@@H]1CCC(=O)N1 1112105449 MZPWDVHOEBSNLP-NSHDSACASA-N 316.365 -0.088 30 20 DBED C[C@@H]1C[C@@H](NC(=O)CC(N)=O)CCN1c1cncc(C#N)n1 1112461900 FWDSCWDQWGTWBB-ZJUUUORDSA-N 302.338 -0.303 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCN(Cc2nc(COC)no2)CC1 1112845012 QHKIZPPUBFZELT-LBPRGKRZSA-N 322.365 -0.102 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCN([C@H]2CCN(CC=C)C2=O)CC1 1112846247 JKQCTYYWQSMIEU-GJZGRUSLSA-N 319.405 -0.044 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)[C@]2(C)CCC(=O)N2)CC1 1113314936 SGKFBJDZLCMXSJ-LRDDRELGSA-N 322.409 -0.510 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)[C@@]2(C)CCNC2=O)CC1 1113340878 DGFVMEFBHMZWSA-WBMJQRKESA-N 322.409 -0.653 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)C3=COCCO3)[C@H]2C1 1113807053 RPLYSQCCRXUWPC-NMKXLXIOSA-N 321.377 -0.388 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3cccn3C)[C@H]2C1 1113860540 NJXMBMCQIIIPQW-RYUDHWBXSA-N 300.362 -0.566 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)COC3CCCC3)[C@@H]2C1 1113937431 FTRDNTKVQYGESK-ZIAGYGMSSA-N 319.405 -0.259 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CC(=O)N(C)C1)N(C)c1cncc(C#N)n1 1113943864 PLNXZGKEJHWEGT-WDEREUQCSA-N 316.365 -0.233 30 20 DBED C[C@H](C#N)C(=O)NC1[C@H]2CN(CCCN3C(=O)CNC3=O)C[C@H]12 1114067060 MERBSZUVOWKAAB-VWYCJHECSA-N 319.365 -0.866 30 20 DBED CNC(=O)CCCC(=O)NC1[C@H]2CN(CC#CCOC)C[C@H]12 1114171865 JUMUREHKSGHEBQ-STQMWFEESA-N 307.394 -0.401 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)CC3OCCCO3)[C@H]2C1 1114181871 AMFVLIPUVAZMGL-RYUDHWBXSA-N 323.393 -0.512 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)c3ccc(=O)n(C)c3)[C@H]2C1 1114516212 SWORWKJOUMZGHU-FOLVSLTJSA-N 315.373 -0.305 30 20 DBED N#CCNC(=O)CN1C[C@H]2C(NC(=O)C[C@H]3CCCOC3)[C@@H]2C1 1115247630 IMASUZPROPHALC-JHJVBQTASA-N 320.393 -0.511 30 20 DBED C#CCNC(=O)CC(=O)N(C)C[C@H](C)Nc1ccc(C#N)nn1 1115685855 PWGSPHTZRHKGJL-NSHDSACASA-N 314.349 -0.253 30 20 DBED C#CCSCCNC(=O)C(=O)N1C[C@H](C)O[C@H](COC)C1 1117461554 IYFBAFAJYBPGTC-RYUDHWBXSA-N 314.407 -0.269 30 20 DBED CC(C)NC(=O)[C@H](C)NC(=O)C(=O)Nc1cccc(C#N)n1 1118139512 KUMLCQVIYIEXNT-VIFPVBQESA-N 303.322 -0.079 30 20 DBED C=CCNC(=O)Cn1nnnc1N1CC[C@H](n2cc(C)cn2)C1 1120070619 UQELAAWYIXHGKS-LBPRGKRZSA-N 316.369 -0.068 30 20 DBED C[C@H](CN(C)C(=O)[C@H]1CCNC1=O)N=c1cc[nH]cc1C#N 1120410025 XSGDBXOLQRKGSC-PWSUYJOCSA-N 301.350 -0.230 30 20 DBED C[C@@H](CN(C)C(=O)[C@@H]1CNC(=O)N1)Nc1ccc(C#N)cn1 1120633411 HECOCBOTRXGPQN-ONGXEEELSA-N 302.338 -0.107 30 20 DBED C[C@H](CN(C)C(=O)[C@H]1C[C@H]1C(N)=O)Nc1cnc(C#N)cn1 1120705839 GVCDGXJQYGNGFW-IEBDPFPHSA-N 302.338 -0.272 30 20 DBED CC#CCNC1CC2(C1)CC(NC(=O)c1nnc(O)nc1O)C2 1121367935 IZNGTFVOPMXYPL-UHFFFAOYSA-N 317.349 -0.063 30 20 DBED Cc1cc(N[C@H](CO)CNC(=O)C#CC2CC2)nc(CO)n1 1121439322 HTJMYQOCXYIERY-LBPRGKRZSA-N 304.350 -0.420 30 20 DBED COC(=O)c1cnc(N[C@H](CO)CNC(=O)C#CC(C)C)nc1 1121528190 IYMJYFMRFRCITB-LBPRGKRZSA-N 320.349 -0.188 30 20 DBED CC(C)[C@H](C(=O)NC[C@@H](CO)Nc1cnc(C#N)cn1)N(C)C 1121838221 GKOIZPGTACNVJV-GXTWGEPZSA-N 320.397 -0.177 30 20 DBED N#Cc1cccnc1N[C@H](CO)CNC(=O)C[C@@H]1CCNC1=O 1122191415 USVBQOBPQQJUQW-JQWIXIFHSA-N 317.349 -0.632 30 20 DBED C=C(C)Cn1c(CCO)nnc1N1CCN(C(=O)NC)CC1 1122430460 SKYYFMQEFOZRMD-UHFFFAOYSA-N 308.386 -0.150 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H](CO)Nc1nccc(C)n1 1122769999 ODLPVKSGRVBARD-KGLIPLIRSA-N 317.393 -0.228 30 20 DBED C[C@@H]1C[C@@H](N=c2cc[nH]c(C#N)n2)CN1C(=O)CC(=O)N(C)C 1123333098 YKCZKJCKWJFERB-GHMZBOCLSA-N 316.365 -0.350 30 20 DBED CN1CC[C@H](C(=O)N(C)C[C@@H](O)CNc2nccnc2C#N)C1 1124353313 VIVIJABPGNABKH-RYUDHWBXSA-N 318.381 -0.469 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)CC(C)(C)O 1126467952 OBDSYSJKTJDMDP-JTQLQIEISA-N 314.386 -0.747 30 20 DBED CCOCC(=O)N(C)CCOCCN=c1cc[nH]c(C#N)n1 1127169142 RKEMTLKTZXNNMN-UHFFFAOYSA-N 307.354 -0.306 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)c1cnn2c1CCC2 1128930441 BSDCAYIXPWQMIJ-NSHDSACASA-N 305.382 -0.161 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)CS(=O)(=O)NC)CC[C@@H]1C 1133334384 WSMFHRTVKGSIOX-QWHCGFSZSA-N 315.439 -0.367 30 20 DBED C=CCNC(=O)CNCCNC(=O)CCNC(=O)C1CCC1 1135193923 CCKDYGXDSSFUEC-UHFFFAOYSA-N 310.398 -0.699 30 20 DBED Cc1nccn1CC(=O)N[C@@H](C)C[C@H](C)NCC(=O)NCC#N 1146334687 ZOVGXEZLIYDEDP-RYUDHWBXSA-N 320.397 -0.296 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)CCCC(N)=O 1146753795 BDFIYEYZHKBHHX-RYUDHWBXSA-N 310.398 -0.736 30 20 DBED N#CCNC(=O)CN1CCC2(C1)CN(C(=O)COCC1CC1)C2 1147044104 OLSPLJIXHALCET-UHFFFAOYSA-N 320.393 -0.413 30 20 DBED CC#CCN(CC)[C@H](C)CNC(=O)CNS(=O)(=O)N(C)C 1155528598 MEMWDMZCDBUDBM-GFCCVEGCSA-N 318.443 -0.768 30 20 DBED C#CCCN(CC)[C@H](C)CNC(=O)Cn1nc(C)n(C)c1=O 1156682466 AXSSDNJGOYJLDJ-GFCCVEGCSA-N 307.398 -0.260 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)Cc1cnn(C)c1C 1159608399 WQOJZYZURHDQKJ-LBPRGKRZSA-N 319.409 -0.495 30 20 DBED C#CCN1CCC(CNC(=O)[C@H]2CC(=O)N(C)C2)(COC)CC1 1162296673 ZZJKPBKIJDFCLD-AWEZNQCLSA-N 321.421 -0.057 30 20 DBED N#CCNC(=O)CNCCCNC(=O)c1ocnc1C1CC1 1166599853 XLXLVTLIPCRIEZ-UHFFFAOYSA-N 305.338 -0.099 30 20 DBED C=CCCn1cc(C(=O)NCCCNCC(=O)NCC)nn1 1167991110 HQZCYLAAFBBRQU-UHFFFAOYSA-N 308.386 -0.300 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)[C@H](C)c1cnn(C)c1 1177678071 FGWXAQPCDYKQFH-OLZOCXBDSA-N 319.409 -0.243 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)C[C@](C)(O)C2CC2)C1 1182051334 SQQGOZZMRQMSIK-CJNGLKHVSA-N 307.394 -0.523 30 20 DBED C=CCCCN[C@@H]1CCN(C(=O)[C@@H](CCC(N)=O)NC(C)=O)C1 1186377268 NDIPQHJKHOUPLZ-ZIAGYGMSSA-N 324.425 -0.087 30 20 DBED C#CCN1C[C@@H]2CCN(C(=O)COCc3ncnn3C)[C@@H]2C1 1189612149 HDQAAVGRYRUFMP-QWHCGFSZSA-N 303.366 -0.502 30 20 DBED Cc1conc1C(=O)N1CC[C@H]2CN(CC(=O)NCC#N)C[C@H]21 1189660501 SPWCZXVPEJWTAR-NWDGAFQWSA-N 317.349 -0.231 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)Cc2cccnc2)C1 1192223114 RPOQHHBPFJVQOH-HUUCEWRRSA-N 305.378 -0.012 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)CCn2c(C)csc2=O)C1 1193804724 DLEPSFHQNGVDJO-CHWSQXEVSA-N 323.418 -0.207 30 20 DBED N#CCNC(=O)CN1CCCN(C(=O)C[C@@H]2CCCO2)CC1 1194970495 BYVPOIJRBATWAK-ZDUSSCGKSA-N 308.382 -0.270 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CN(CCC[C@@H](C)O)C[C@H]2O)nn1 1196758154 RORYSATURJZBSZ-YRGRVCCFSA-N 323.397 -0.600 30 20 DBED CN(C)[C@@H](C(=O)N[C@@H]1CN(CC#N)C[C@H]1O)c1ccccc1 1199104509 NRUVAHLEVODNAS-RBSFLKMASA-N 302.378 -0.026 30 20 DBED N#CCNC[C@H]1CN(C(=O)CCCn2ccnn2)CCCO1 1200681342 ZRANEYOCPPJEED-ZDUSSCGKSA-N 306.370 -0.211 30 20 DBED COCC#CCNC[C@H]1CN(C(=O)[C@H]2CCN(C)C2)CCCO1 1202058605 LLVWEOYNLTUQTJ-HOTGVXAUSA-N 323.437 -0.205 30 20 DBED C=CCNC[C@@H]1CN(C(=O)[C@@H]2CCCN2C(N)=O)CCCO1 1202236166 QGWMGKRPZPEENH-OLZOCXBDSA-N 310.398 -0.077 30 20 DBED CNS(=O)(=O)CC(=O)N[C@H]1C[C@H](NCC#N)C12CCC2 1203742408 NFBFNICTLWUPTQ-UWVGGRQHSA-N 300.384 -0.924 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)[C@@H](C2CC2)N(C)C)[C@H](C)C1 1207550954 OQZAJEUOXZEPGE-XNRPHZJLSA-N 320.437 -0.488 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCC[C@H](NCc2nnnn2C)C1 1207951067 QEAZPBAHGCIMPN-FZMZJTMJSA-N 308.386 -0.382 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)CC2=CCOCC2)[C@H](C)C1 1208498602 YOKDGTLTXSURNV-UKRRQHHQSA-N 319.405 -0.091 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2nccs2)[C@H](C)C1 1209681093 WLOJCIAHWKHXPR-GHMZBOCLSA-N 306.391 -0.057 30 20 DBED CC#CCN[C@H]1CCCN(C(=O)CN2C(=O)NC(C)(C)C2=O)C1 1210925654 OLMDQJBHYNQTLZ-LBPRGKRZSA-N 320.393 -0.079 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2nnn(C)n2)C[C@H]1C 1211425242 JDMODTOOBDOJQU-GRYCIOLGSA-N 308.386 -0.262 30 20 DBED C#CCCN[C@@H]1CN(C(=O)CCS(=O)(=O)NC)C[C@H]1C 1214617227 JZRAFCAFBONMGF-VXGBXAGGSA-N 301.412 -0.615 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)CCS(C)(=O)=O)C[C@H]1C 1214976488 UGUIGJQVCFOICZ-CHWSQXEVSA-N 316.423 -0.493 30 20 DBED C#CCN1CCC(C(=O)N2C[C@@H](NCC(=O)NC)[C@H](C)C2)CC1 1216837678 MHAXBYCYAUASLG-UKRRQHHQSA-N 320.437 -0.486 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H]2[C@@H](C1)OCCN2C(=O)C1CCC1 1217172927 XJHLSECNGKQNIR-VHDGCEQUSA-N 319.405 -0.164 30 20 DBED COCC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CN(C)C(C)=O 1217337729 ZYNUFZCCRSPLKF-LSDHHAIUSA-N 323.393 -0.974 30 20 DBED N#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)CCC(F)(F)F)C1 1219414009 OURUOBLTMDXERV-BDAKNGLRSA-N 322.287 -0.870 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2coc(C)c2)C1 1219511256 MVAZFKSHPWOIHK-OLZOCXBDSA-N 307.350 -0.335 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@H]2CCN(Cc3cn(C)nn3)C[C@H]21 1221544008 JSNHRIRAWCQDOD-GZBFAFLISA-N 317.393 -0.114 30 20 DBED C[C@@H](C#N)C(=O)NCC1CCN([C@H](C)C(=O)NC(N)=O)CC1 1222663596 BQKXHUPOJSBLND-VHSXEESVSA-N 309.370 -0.442 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cc[nH]n1 1224903203 TZPYBMCCXHKPLT-GHMZBOCLSA-N 304.354 -0.320 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cnnn1C 1225954434 UYFIIVGTDYIMGM-VXGBXAGGSA-N 320.397 -0.252 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(N)=O 1226187344 JQIFVQMCIXKPSX-IJLUTSLNSA-N 324.381 -0.763 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)[C@@H](C1CC1)N(C)C 1235333274 CARVEVNSLLETPJ-GOEBONIOSA-N 320.437 -0.391 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)CCc2cnn[nH]2)C1 1267749656 QMCYYUUTZVYZGQ-GFCCVEGCSA-N 306.370 -0.770 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCC[C@](C)(O)C1 1323730564 XHTZNQSLMMDBJW-ZDUSSCGKSA-N 318.395 -0.923 30 20 DBED C[C@@H]1CN(C)C(=O)CN1C(=O)C(=O)N1CCC(CC#N)CC1 1328458094 ZMIQEJSHRSQTTN-LLVKDONJSA-N 306.366 -0.172 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CC[C@@H]3OCC[C@@H]3C2)nn1 1329367400 BRAWQWZJINUBAP-YPMHNXCESA-N 319.365 -0.282 30 20 DBED CNC(=O)[C@H](C)CN(C)C(=O)CCN/C(O)=C1/N=CC=CC1=O 1330777120 LWOZGPMDNOELCG-QMLLPTRZSA-N 322.365 -0.257 30 20 DBED C#CCn1ccc(CN(CC)S(=O)(=O)c2nncn2C)n1 1331928615 GKPMILFGFHQRKR-UHFFFAOYSA-N 308.367 -0.144 30 20 DBED CCN1C[C@H](C)N(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)C[C@H]1C 1332375365 CSSUVDUJJCAREY-WWGRRREGSA-N 322.409 -0.195 30 20 DBED C#C[C@@H]1COCCN1C(=O)C(=O)N1C[C@@H](C(=O)O)[C@H](C2CC2)C1 1333612828 ZHABUAQACKJRCA-FRRDWIJNSA-N 320.345 -0.584 30 20 DBED C#CCN(C(=O)C(=O)N1CCN([C@@H]2CCOC2)CC1)C(C)C 1338206649 INSBTWHBGYXNOA-CQSZACIVSA-N 307.394 -0.210 30 20 DBED COC(=O)c1cccn(CC(=O)Nc2cnn(CC#N)c2)c1=O 1361923090 LSHKOAAEQDIHLI-UHFFFAOYSA-N 315.289 -0.006 30 20 DBED COC[C@H](NC(=O)CCn1cc(C#N)c(O)nc1=O)C(C)C 1362165288 IXXXZRJCTKOHGB-NSHDSACASA-N 308.338 -0.002 30 20 DBED CN(CCS(N)(=O)=O)S(=O)(=O)c1ccccc1CC#N 1365731089 FOTBZVNTAJSIIU-UHFFFAOYSA-N 317.392 -0.338 30 20 DBED C=C(Br)CNC[C@H](O)CNC(=O)c1cnn(C)n1 1367662409 LQUXESFMVQCANO-QMMMGPOBSA-N 318.175 -0.596 30 20 DBED CCc1noc(COCC(=O)N[C@@H](C)CNC(=O)[C@@H](C)C#N)n1 1387081760 BCUHQCKLTHVCPE-UWVGGRQHSA-N 323.353 -0.071 30 20 DBED CN(CCN(C)C(=O)c1cc(C#N)c[nH]1)CCS(C)(=O)=O 1406087578 ZRGBJBXAKSRJFU-UHFFFAOYSA-N 312.395 -0.065 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CCN(C(=O)CCc2cnn[nH]2)C1 1408414025 PTTWMIJLTQFVSH-MNOVXSKESA-N 304.354 -0.138 30 20 DBED Cc1onc(CC(=O)NCC(=O)N2CCN(C)CC2)c1C#N 1413810031 HPXNLFHBTBGVQR-UHFFFAOYSA-N 305.338 -0.713 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CN(C)C(=O)CCc1cncn1C 1425853285 LCCLAPJKRKKGIE-DGCLKSJQSA-N 321.381 -0.552 30 20 DBED N#Cc1cn(CCNC(=O)N[C@@H]2CCSC2)c(=O)nc1O 1427465903 SYQRAROHAWMWIJ-SECBINFHSA-N 309.351 -0.375 30 20 DBED C[C@@H](C#N)C(=O)NCC1CCN(C(=O)[C@@H]2COC(=O)N2)CC1 1427596825 ZSMNATOGWLYCAO-ONGXEEELSA-N 308.338 -0.391 30 20 DBED CCCN(CCNC(=O)[C@@H](C)C#N)C(=O)c1ccc(=O)n(C)n1 1429845785 REJFWFHIGXCAIU-NSHDSACASA-N 319.365 -0.092 30 20 DBED CCCN(CCNC(=O)[C@@H](C)C#N)C(=O)C1(NC(N)=O)CC1 1429847658 ZZCKYYUCAGEGFR-JTQLQIEISA-N 309.370 -0.298 30 20 DBED C=C(Cl)CN1CC[C@](C)(NC(=O)CS(=O)(=O)NC)C1 1439876579 ZAMABVRLJOJQMB-NSHDSACASA-N 309.819 -0.131 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CC[C@H](CN[C@H](C)C(=O)NC(N)=O)CC1 1447078536 OLWGFQTZTBNMFS-USZNOCQGSA-N 323.397 -0.006 30 20 DBED CC(C)S(=O)(=O)CC(=O)NCC1CN(C(=O)[C@@H](C)C#N)C1 1450618367 VCHGAADVFKJGOO-JTQLQIEISA-N 315.395 -0.456 30 20 DBED CC(=O)N[C@H](C)C(=O)N[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 1453964503 NZXUCUTZHUTGRZ-BXKDBHETSA-N 317.349 -0.258 30 20 DBED C=CCN1CC[C@@H](NC/C=C/CNC(=O)CNC(=O)O)C1=O 1573368860 SJIJEPAISFUEAL-PGLGOXFNSA-N 310.354 -0.697 30 20 DBED C=CCn1cc(C(=O)N[C@H]2C[C@@H](NCc3cnn[nH]3)C2)nn1 1575111984 LVCGWLYYQQOQCR-AOOOYVTPSA-N 302.342 -0.367 30 20 DBED C[C@@H](OCc1cnn[nH]1)C(=O)NC[C@H]1COCCN1CC#N 1575864809 YAFDCEMNZIQMOU-PWSUYJOCSA-N 308.342 -0.950 30 20 DBED N#CCOc1ccc(CC(=O)N2CC(=O)NCC23CNC3)cc1 1580052828 XKMNOAKAVNZZIX-UHFFFAOYSA-N 314.345 -0.568 30 20 DBED Cn1c(=O)[nH]c(N2CCC[C@@](C)(C#N)C2)c(-c2nn[nH]n2)c1=O 1581747092 XMSIICQFNIIZBW-ZDUSSCGKSA-N 316.325 -0.616 30 20 DBED O=S(=O)(NCC#CCO)c1cc(F)cc(-c2nn[nH]n2)c1 1582794171 JZTSHZUNDCHDAV-UHFFFAOYSA-N 311.298 -0.720 30 20 DBED C#CCN1CCC[C@@H](NC(=O)NCCC(=O)NCCC(=O)O)C1 1588477039 UMWSNQSLIOUZOT-GFCCVEGCSA-N 324.381 -0.636 30 20 DBED C=CCN(CCOC)C(=O)[C@H](C)n1cnc(-c2nn[nH]n2)n1 1588632006 HAURYSQUWBOESV-VIFPVBQESA-N 306.330 -0.320 30 20 DBED C=CCNC(=O)CNS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 1588658861 WDTRNHJBOOQLOB-UHFFFAOYSA-N 322.350 -0.553 30 20 DBED Cn1ccc(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[nH]2)cc1=O 1592580253 WHQCENARYMAQJJ-UHFFFAOYSA-N 311.265 -0.588 30 20 DBED COc1cc(C#N)ccc1OCC(=O)NCC[C@H](O)C(=O)O 1599348042 RCMBRGDUOHHRFJ-JTQLQIEISA-N 308.290 -0.103 30 20 DBED COC(=O)C1(CS(=O)(=O)N(CC#N)CC(=O)O)CCCC1 1606351970 OGXTYAUNIVEXNE-UHFFFAOYSA-N 318.351 -0.040 30 20 DBED N#Cc1nc(NC(=O)C[C@@H]2COC(=O)C2)[nH]c1-c1nn[nH]n1 1606354894 XMWFPVABAGSTIO-YFKPBYRVSA-N 302.254 -0.647 30 20 DBED Cn1ccnc1[C@@H]1CNCCN1C(=O)Cn1cnc(C#N)n1 1647255839 HYGHAQDRKJJJOU-JTQLQIEISA-N 300.326 -0.944 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)c2cn(C)nc2C)C1 1660970689 CWVVEOXQSLZYEN-LBPRGKRZSA-N 305.382 -0.165 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)c2cc(OC)no2)C1 1660976425 HWAUMIIDQFEAQZ-SNVBAGLBSA-N 306.322 -0.763 30 20 DBED C=CCN1CC[C@@H](N[C@@H](C)CCNC(=O)C2(C(N)=O)CC2)C1=O 1714486191 HCESQLHQQLQEPN-NWDGAFQWSA-N 322.409 -0.477 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(C[C@@H]2CCS(=O)(=O)C2)C1 1752384041 YHPSMBHOLIAZRY-STQMWFEESA-N 316.423 -0.186 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCOC1 1752523921 KUXSBBNUVRKGDN-MCIONIFRSA-N 305.378 -0.553 30 20 DBED C[C@H]1OCC[C@@H]1C(=O)N1[C@H]2CC[C@H]1CN(CC(=O)NCC#N)C2 1752543253 LLIFOWWUSXSGDL-RFGFWPKPSA-N 320.393 -0.274 30 20 DBED C#CCNC(=O)CNC[C@H]1CCN(C(=O)Cc2cncn2C)C1 1752959943 ZXHQKBQQEOZNPN-CYBMUJFWSA-N 317.393 -0.850 30 20 DBED C=CCNC(=O)[C@@H](C)NCCN(C)C(=O)[C@@H]1CCC(=O)N1C 1753220458 CWAWCWOVKFOZLH-NEPJUHHUSA-N 310.398 -0.654 30 20 DBED C#CCN(C)C[C@H]1CCN(C(=O)CN2C(=O)CN(C)C2=O)C1 1753360630 WSFOGJGKUWEYPF-GFCCVEGCSA-N 306.366 -0.706 30 20 DBED C=C[C@@](C)(CC)C(=O)NC1CN(CCNS(C)(=O)=O)C1 1753387634 ZNEMBTVTPQPHRR-ZDUSSCGKSA-N 303.428 -0.062 30 20 DBED C[C@H](c1nnnn1C)N1CC(CNC(=O)CSCC#N)C1 1753402275 GRXKHCAIVJVTJU-SECBINFHSA-N 309.399 -0.424 30 20 DBED CCN(C(=O)c1nc(C)c[nH]1)[C@@H]1CCN(CC(=O)NCC#N)C1 1753459752 SSWQLPVAJFBAOT-GFCCVEGCSA-N 318.381 -0.106 30 20 DBED CC(C)C#CC(=O)NC[C@H](C)CNC[C@H](O)CN1CCCC1=O 1753612842 LCJCLQAWMHVUAG-CABCVRRESA-N 323.437 -0.029 30 20 DBED C[C@@H]1CCCN(C(=O)CN(C)S(C)(=O)=O)[C@@H]1CNCC#N 1753820613 ZDAVXJDPTKURGB-VXGBXAGGSA-N 316.427 -0.382 30 20 DBED C#CCNC(=O)[C@@H](C)NCCN(CC)C(=O)[C@H](C)n1cncn1 1754041243 IAMQYLCGENBSTQ-OLZOCXBDSA-N 320.397 -0.585 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)C[C@H](C)NC(=O)CCn1cncn1 1754302198 CJXFOSFKOUZKHN-QWHCGFSZSA-N 320.397 -0.757 30 20 DBED C=C[C@@](C)(O)CC(=O)N(C)C1CN(C[C@@H](O)Cn2cccn2)C1 1754574242 MKRJTKUDDFACHR-GDBMZVCRSA-N 322.409 -0.286 30 20 DBED C=CCOCCN1CC[C@@](O)(CNC(=O)Cc2nonc2C)C1 1754759800 KCSPDTSZOXCRPO-OAHLLOKOSA-N 324.381 -0.324 30 20 DBED C#CCNCCN(CCO)C(=O)c1cncc(-n2ccnn2)c1 1754888520 YUPIHBUWQFBDEE-UHFFFAOYSA-N 314.349 -0.680 30 20 DBED CNC(=O)[C@@H](C)NC[C@@H]1CN(C(=O)C#CC(C)(C)C)CCO1 1755002136 LOQAJICHJQYURB-CHWSQXEVSA-N 309.410 -0.013 30 20 DBED C#CCNC(=O)[C@H](C)N1CC([C@H](C)NC(=O)c2cncnc2)C1 1755374045 NSLNWFVBACBRMJ-RYUDHWBXSA-N 315.377 -0.335 30 20 DBED CN1CC[C@H](N2C[C@H]3[C@H](CNC(=O)C#CC4CC4)[C@H]3C2)C1=O 1755422887 LEMOZKPIVUSUOS-XQLPTFJDSA-N 301.390 -0.076 30 20 DBED C#CCNC(=O)CNC[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]3CC[C@H]2O3)C1 1755467204 PDFMHPXTKNIFQB-KJWHEZOQSA-N 319.405 -0.212 30 20 DBED CC#CCNC[C@H](O)CN(C)C(=O)[C@@H](CC)N1CCCC1=O 1755797289 YNWVZDCXXBCMCA-UONOGXRCSA-N 309.410 -0.180 30 20 DBED C#CCNC[C@@H](NC(=O)CS(=O)(=O)N(C)C)C(C)(C)C 1755837467 RFLOYRADAOIQKU-LLVKDONJSA-N 303.428 -0.369 30 20 DBED C#CCOCCC(=O)N[C@@H](C)[C@@H](C)NC(=O)Cn1nccn1 1755969766 KYKXRJKOTGDUMM-NWDGAFQWSA-N 307.354 -0.673 30 20 DBED C#CCNC(=O)CC(=O)N1CC([C@H](C)NC(=O)C[C@H](C)OC)C1 1756130789 VHXPBINAYGGTCO-RYUDHWBXSA-N 323.393 -0.486 30 20 DBED N#CCOc1cccc(CC(=O)N[C@@]2(C(N)=O)CCOC2)c1 1771767624 KQJWHCFYNDWWTA-HNNXBMFYSA-N 303.318 -0.108 30 20 DBED NS(=O)(=O)CCNN=C1CCCc2ncc(C(=O)O)cc21 1776046948 OXNJKFBZKACFCV-UHFFFAOYSA-N 312.351 -0.302 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N(CCN(C)C)CC(=O)O 1776857424 JYLQLRUHQQDEIN-LLVKDONJSA-N 320.415 -0.339 30 20 DBED C[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(C#N)CC3)[C@H]2C1 1786699674 UAUFXQRAVOSTII-VOAKCMCISA-N 321.377 -0.349 30 20 DBED CC(C)[C@H](S)C(=O)N1CC2(CCCN2C(=O)[C@@H](N)CN)C1 1843348052 DKOMVOLMDOKWDI-QWRGUYRKSA-N 314.455 -0.570 30 20 DBED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)c1ccncn1)C2 1846195592 IVVNIVYIBHHAQK-UHFFFAOYSA-N 314.301 -0.618 30 20 DBED COC(=O)c1cc(C#N)c(=O)n(CC(=O)NC[C@@H]2CCCO2)c1 25962528 SQGJHPZOOMUZRK-LBPRGKRZSA-N 319.317 -0.198 30 20 DBED Cn1c(=O)ccn(CC(=O)[C@@H](C#N)C(=O)NC2CCCC2)c1=O 51654184 WREZYPJQNUNVIA-LLVKDONJSA-N 318.333 -0.685 30 20 DBED C=C(Br)CNC(=O)NCCNS(C)(=O)=O 69244046 AZQZZGOFPWFXRQ-UHFFFAOYSA-N 300.178 -0.257 30 20 DBED C=C(C)CN1CCC(NC(=O)N2CCO[C@@H](C(N)=O)C2)CC1 106340962 UJWZIFUJVRILMU-CYBMUJFWSA-N 310.398 -0.077 30 20 DBED C[C@@H]1CN(S(=O)(=O)c2cccc(C#N)c2)C[C@H](C(N)=O)O1 268380813 UUXPFCRWJFIYBD-BXKDBHETSA-N 309.347 -0.178 30 20 DBED N#CCCNS(=O)(=O)c1ccc(C(=O)NCCCO)cc1 298458950 TVWQRMTVJDWQFW-UHFFFAOYSA-N 311.363 -0.009 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCCCC(=O)OC)C1=O 299583496 BZGKBESJAFKRKX-UHFFFAOYSA-N 311.294 -0.967 30 20 DBED C[C@@H]1[C@H](NS(=O)(=O)c2cncc(C#N)c2)CCS1(=O)=O 313185377 KZAVWWNACMPHEA-LDYMZIIASA-N 315.376 -0.193 30 20 DBED CC(C)[C@@H](/C(O)=N/CCn1ncnn1)N1CCCS1(=O)=O 329832192 KHUYFESHTJOVQO-JTQLQIEISA-N 316.387 -0.310 30 20 DBED C[C@@H]1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC[S@@]1=O 330251974 NXWNBMJLDOQKRE-BTKVJGODSA-N 310.379 -0.697 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N1CCO[C@@H](c2n[nH]c(C)n2)C1 334035530 OFXTWBJKRMXBOG-MWLCHTKSSA-N 322.369 -0.113 30 20 DBED N#C[C@H]1CN(S(=O)(=O)N2CCN(CC3CC3)CC2)CCO1 336910201 IFICXRSPGXLFCT-ZDUSSCGKSA-N 314.411 -0.517 30 20 DBED CN1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)C(C)(C)C1=O 336956533 ZPOHLHCREQYPRY-SNVBAGLBSA-N 316.383 -0.992 30 20 DBED CCN(CCC#N)S(=O)(=O)NC[C@H]1CN(C2CC2)CCO1 337101876 WRMCTTXORVSWCE-ZDUSSCGKSA-N 316.427 -0.080 30 20 DBED CC(=O)NCC(=O)NCC(=O)NCC#Cc1cccc(F)c1 338148510 AWUMSKJYSGUYAV-UHFFFAOYSA-N 305.309 -0.454 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2noc(C)c2C)C1=O 340414853 FWKIMDDXMLJFLC-LLVKDONJSA-N 320.349 0.475 30 20 DBED C=CCN1CCC(NC(=O)C(=O)N2C[C@H]3[C@H](O)CC[C@H]3C2)CC1 343770507 USLUDSZXDHPRER-NWANDNLSSA-N 321.421 -0.018 30 20 DBED CC[C@@](C)(C#N)C(=O)N1CCC[C@@H](CNS(N)(=O)=O)C1 349802929 LYKIQWZZOSCRKG-JQWIXIFHSA-N 302.400 -0.042 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@H](C)N(C)C[C@H]2C)C1=O 352003808 MUYHRTBBROVGTN-WDEREUQCSA-N 322.365 -0.486 30 20 DBED CC[C@H](C)[C@H](NS(C)(=O)=O)C(=O)N1CC(O)(CC#N)C1 356874215 LXGDMAGIEHHJDF-UWVGGRQHSA-N 303.384 -0.563 30 20 DBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCCCNC(C)=O 430385247 IHHCEFQETDUIJF-STQMWFEESA-N 311.382 -0.274 30 20 DBED C=CCOC[C@H](NC(=O)[C@@H](C)N1CCOCC1)C(=O)OC 435947458 FEDWTPDVGLTWIG-NEPJUHHUSA-N 300.355 -0.433 30 20 DBED Cc1cc(NC(=O)C(=O)N2CCN(C)C[C@H]2C)nn1CCC#N 440273787 POZNERDSLXVSFC-GFCCVEGCSA-N 318.381 0.206 30 20 DBED C#CCN1CCN(C(=O)CN2CC[C@](C)(C(=O)NC)C2)CC1 491289381 YQJCUDJYJKPBOJ-INIZCTEOSA-N 306.410 -0.778 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)[C@H]2CCCS2(=O)=O)C1=O 516782669 YXBNWYBKZSEYFD-GHMZBOCLSA-N 300.380 -0.191 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)[C@H](C)N2C(=O)CCC2=O)C1=O 545251242 IRODOKJZSZHRHT-QWRGUYRKSA-N 307.350 -0.231 30 20 DBED N#Cc1cc(F)ccc1S(=O)(=O)N(CC(=O)O)CC(=O)O 547881679 OIBWXTYIOGOKQH-UHFFFAOYSA-N 316.266 -0.143 30 20 DBED Cc1cc(NC(=O)NCCn2cnc(C#N)n2)c(=O)n(C)c1 588265557 FCTFELMUXUOJJD-UHFFFAOYSA-N 301.310 -0.021 30 20 DBED N#CC[C@@]1(O)CCN(CC(=O)NC(=O)NCc2ccco2)C1 592145255 PKESUKXTYBSETK-CQSZACIVSA-N 306.322 -0.044 30 20 DBED C[C@@H](NC(=O)CN1CC[C@](O)(CC#N)C1)C(=O)N1CCCCC1 592146852 KXAJWAWIAICXCQ-CZUORRHYSA-N 322.409 -0.146 30 20 DBED C[C@@H]1[C@H](NC(=O)Nc2ccn(CCC#N)n2)CCS1(=O)=O 599740811 KQBRQIXLMQLQKV-NXEZZACHSA-N 311.367 0.494 30 20 DBED C[C@H](CCN(C)C)NC(=O)C(=O)N1CCN(CCC#N)CC1 602238088 GDKRZCHHHGRASS-CYBMUJFWSA-N 309.414 -0.499 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)NCC(=O)NC1CCCC1 619709088 LORHGCXUVXECEF-JTQLQIEISA-N 302.400 -0.029 30 20 DBED C=C[C@H](CO)NCC(=O)N1CCN(C(=O)c2ccco2)CC1 662163680 IACOLLGUPIOAOU-GFCCVEGCSA-N 307.350 -0.300 30 20 DBED C#CCC[C@H](O)CNC(=O)C1CCN(S(C)(=O)=O)CC1 717944313 TZCWSSHYDSRKHY-LBPRGKRZSA-N 302.396 -0.452 30 20 DBED C=CCN1CC(=O)N(CCS(=O)(=O)N2CCOCC2)C1=O 761204910 SSRCWOPMPSYBKA-UHFFFAOYSA-N 317.367 -0.901 30 20 DBED COC(=O)[C@H]1CCN(C(=O)C(=O)Nc2cnn(CC#N)c2)[C@@H]1C 787914191 MIZHJOFFNCNDJC-KOLCDFICSA-N 319.321 -0.245 30 20 DBED CNC(=O)CNC(=S)NN=C1CCC[C@@H](S(C)(=O)=O)C1 788429208 GWKZLUQJXFULLV-SECBINFHSA-N 320.440 -0.460 30 20 DBED C#CCC[C@H](O)CNC(=O)CN(C)C(=O)[C@@H](C)n1cccn1 799077535 JVLCTOUESYYYOI-OLZOCXBDSA-N 306.366 -0.207 30 20 DBED C#CCNC(=O)CCN1CCN(C(=O)c2cccn2C)CC1 815019559 IHFXGSYCSROKIE-UHFFFAOYSA-N 302.378 -0.078 30 20 DBED CC[C@H]1CN(C)CCN1C(=O)C(=O)Nc1cnn(CC#N)c1 815871864 WZIBNEQJXCLCHX-LBPRGKRZSA-N 304.354 -0.102 30 20 DBED CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)NCC(=O)NCC#N 816656579 XNVDZKDNDCMHJM-IAZYJMLFSA-N 322.365 -0.145 30 20 DBED C#CCOCCNC(=O)[C@H]1CS(=O)(=O)C[C@H]1C(F)(F)F 821881302 JMKGWBIFGIBRHG-DTWKUNHWSA-N 313.297 -0.025 30 20 DBED COc1ccc(S(N)(=O)=O)cc1C(=O)N[C@@H]1CNC[C@H]1C#N 834511202 JHRXZPPUDJNMEN-LDYMZIIASA-N 324.362 -0.816 30 20 DBED C#CC[C@@H](CCOC)NC(=O)NCC1CN(S(C)(=O)=O)C1 858375140 JWUKCSKKZZWANC-LBPRGKRZSA-N 317.411 -0.395 30 20 DBED C=CCS(=O)(=O)CCNC(=O)Cn1cc(C(=O)OC)cn1 860731054 SDEYLDOCQSXSCQ-UHFFFAOYSA-N 315.351 -0.613 30 20 DBED C#CCN1CCC[C@@H](NC(=O)NCCS(=O)(=O)C2CC2)C1 884417175 ZTXZXKCVAQLPCJ-GFCCVEGCSA-N 313.423 -0.040 30 20 DBED C#CC1(O)CN(C(=O)N[C@H]2CCc3nc(COC)nn3C2)C1 893628442 XJELWHRXACLNDT-JTQLQIEISA-N 305.338 -0.871 30 20 DBED C[C@@]1(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)C[C@@H](O)CN1 911637899 YANKDRAXRPNZOF-CJNGLKHVSA-N 315.377 -0.285 30 20 DBED C[C@@H](C(=O)N1CCN(C(=O)[C@H](C)N(C)C)[C@H](C#N)C1)N(C)C 912534943 HUQRWCXQMSOALC-RWMBFGLXSA-N 309.414 -0.550 30 20 DBED C#CC[C@@H](CO)NC(=O)NCCCN1CCCS1(=O)=O 916079404 HAQJFNRNBFPYCS-NSHDSACASA-N 303.384 -0.905 30 20 DBED C#CCN1CCC[C@H](NC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)C1 923575574 JAMOZPZPMDEVLM-CABCVRRESA-N 320.437 -0.390 30 20 DBED C#C[C@@H](NC(=O)C(=O)NCC1CC2(C1)OCCO2)[C@@H]1CCCO1 930471981 ZUEIAKZYOQGCGR-OLZOCXBDSA-N 322.361 -0.447 30 20 DBED C[C@@H](C#N)C(=O)N1CCCN(C(=O)[C@@H]2CC(=O)N(C)C2)CC1 941316746 GHJFAEJOUYWCRI-NWDGAFQWSA-N 306.366 -0.315 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2nc[nH]n2)C1 942160738 XWYXWGZDRSOOIM-NEPJUHHUSA-N 316.365 -0.767 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)C(N)=O)C[C@@H]2C)cn1 945482229 CMVDIWICBUVHOA-GXFFZTMASA-N 314.345 -0.485 30 20 DBED C#CCN1C[C@H]2CCN(C(=O)Cn3cnnc3O)CC[C@H]2C1 946552687 MPMNYQBQMLPGCH-BETUJISGSA-N 303.366 -0.213 30 20 DBED CC(=O)N1CC(C(=O)N[C@@H]2[C@H]3C[C@H]2N(C(=O)C#CC2CC2)C3)C1 947018637 CLCPOTMMZMPESV-JGGQBBKZSA-N 315.373 -0.406 30 20 DBED N#CCN1CCC2(CC1)CN(C(=O)[C@@H]1COCCO1)CCO2 949038210 OGGCEKISQBCSKF-ZDUSSCGKSA-N 309.366 -0.381 30 20 DBED CS(=O)(=O)CC(=O)N1CC[C@H]1CNC(=O)c1cc(C#N)c[nH]1 949284222 YMTSLDUGGKNFLS-JTQLQIEISA-N 324.362 -0.738 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@]2(CCN(C(=O)CC(N)=O)C2)C1 952875418 OJLKCAUPOJXMHY-IAQYHMDHSA-N 306.366 -0.137 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](NC(=O)c2cn(C)c(=O)n2C)[C@H](C)C1 958382941 VMXYNAYANVUEEH-HBNTYKKESA-N 319.365 -0.540 30 20 DBED CC#CCN1C[C@@H](O)[C@@H](CNC(=O)C2CCN(C(C)=O)CC2)C1 958658287 XNQVXEFYXSGABX-JKSUJKDBSA-N 321.421 -0.323 30 20 DBED CC#CCN1C[C@H]2C(NC(=O)c3cn(CCOC)nn3)[C@@H]2C1 959848580 TTWJHQFODKRAEX-VXGBXAGGSA-N 303.366 -0.392 30 20 DBED Cc1nn(C)c(=O)c(C(=O)N[C@H]2[C@@H]3CN(CC#N)C[C@@H]32)c1C 961430504 VAURSDAEJTYJCV-PJXYFTJBSA-N 301.350 -0.419 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]2[C@H]1CCCN2C(=O)Cn1ncnn1 963116808 YOALSIRIVLPFHF-UTUOFQBUSA-N 317.353 -0.575 30 20 DBED C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)Cn2ncn(C)c2=O)C1 967034114 RSYBKBBBHVKZNI-CHWSQXEVSA-N 307.398 -0.016 30 20 DBED C=CCN1CCO[C@]2(CCN(C(=O)CN3CC(=O)NC3=O)C2)C1 972603540 XHZJLCISFWIVRO-OAHLLOKOSA-N 322.365 -0.973 30 20 DBED CN1CCO[C@H](C(=O)N(C)C[C@H]2CCN2C(=O)C#CC2CC2)C1 977530917 ZIANXXSHMSFXRG-CABCVRRESA-N 319.405 -0.210 30 20 DBED C[C@H](NCc1ccc(C#N)cc1)[C@H]1CN(C(=O)C(N)=O)CCO1 979356002 HTCDJQLFQJEOHG-SMDDNHRTSA-N 316.361 -0.251 30 20 DBED CN(C[C@@H]1CCN(C(=O)C#CC2CC2)C1)C(=O)[C@@H]1COC(=O)N1 987985954 QPEUHUIWCGRNEG-STQMWFEESA-N 319.361 -0.185 30 20 DBED C#CCN[C@H]1C[C@H](C)N(C(=O)CN2CCCCS2(=O)=O)C1 989196343 UMGJOGXJTKUNFR-STQMWFEESA-N 313.423 -0.376 30 20 DBED C=C(Cl)C(C)(C)C(=O)N1CC(NC(=O)Cn2ncnn2)C1 991875161 OULKMWAIWFIBBS-UHFFFAOYSA-N 312.761 -0.221 30 20 DBED N#CCN[C@@H]1CCC[C@H]2CN(C(=O)c3nnc(O)nc3O)C[C@H]21 992748647 YKCVIRCLCCLOCU-IVZWLZJFSA-N 318.337 -0.363 30 20 DBED CC(=O)N1CC(n2cc(CNC(=O)c3ccc(C#N)[nH]3)nn2)C1 994701991 RHQIRTZHZIEROL-UHFFFAOYSA-N 313.321 -0.189 30 20 DBED C#CCN[C@H]1CN(C(=O)CN2CCC(=O)NC2=O)CC1(C)C 996500807 VAVHNHMYNDGQCQ-NSHDSACASA-N 306.366 -0.612 30 20 DBED C#CCN[C@@H]1CCCN(C(=O)Cc2ccc(C(N)=O)nc2)C1 999492149 DUPVSHMYHIITJP-CYBMUJFWSA-N 300.362 -0.063 30 20 DBED O=C1NC[C@@H](C(=O)N2C[C@H]3CC[C@H]2CN3C(=O)C#CC2CC2)N1 1007314245 PERVBOSLJZJORY-AGIUHOORSA-N 316.361 -0.717 30 20 DBED C=C(Cl)CN1CCC[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 1007522694 NKJWZKBTPJMWFT-ZJUUUORDSA-N 314.773 -0.082 30 20 DBED C=C[C@](C)(CC)C(=O)N1CCO[C@]2(CCN(C(=O)C(N)=O)C2)C1 1007715247 OYTAFJFVNGHFLF-CVEARBPZSA-N 323.393 -0.096 30 20 DBED C#CCCN1CCC[C@@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)C1 1009420562 XCQFJOPKPPSKML-GFCCVEGCSA-N 320.393 -0.079 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CCN(Cc3nnnn3C)C2)cn1 1016027591 RDTCADMONVGTKB-CYBMUJFWSA-N 311.349 -0.409 30 20 DBED N#Cc1cc(C(=O)N2CC[C@H](N[C@@H]3CCC(=O)NC3=O)C2)c[nH]1 1018739191 YTZHCDODIOVHGR-CMPLNLGQSA-N 315.333 -0.504 30 20 DBED C=CCN1CC[C@@H](N[C@H]2C[C@H](NC(=O)Cn3nccn3)C2)C1=O 1020199479 SKECEFPVVXSRQD-JHJVBQTASA-N 318.381 -0.698 30 20 DBED CC#CCN1[C@H]2CC[C@H]1CN(C(=O)Cn1nc(C)n(C)c1=O)C2 1029570020 LMJBGNSKRUIZSD-KBPBESRZSA-N 317.393 -0.411 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)c3c(C)cnn3C)C2)C1=O 1030808652 VWLMHXIWPQVNFV-ZDUSSCGKSA-N 317.393 -0.071 30 20 DBED O=C(CN1C[C@@H]2C[C@H]1CN2C(=O)C#CC1CC1)N1CCOCC1 1032397048 KMZUVTZRXQKZAP-GJZGRUSLSA-N 317.389 -0.456 30 20 DBED C=C(C)CN1CC[C@H](N(C)C(=O)Cn2ccc(=O)n(C)c2=O)C1 1033126981 RGRYEFKRQHQARI-ZDUSSCGKSA-N 320.393 -0.344 30 20 DBED C=C(Cl)CN1CC[C@@H](N(C)C(=O)C[C@@H]2NC(=O)NC2=O)C1 1033158248 XASUGZPBTHUEAA-ZJUUUORDSA-N 314.773 -0.130 30 20 DBED CN1CCN(CC(=O)N[C@H]2CC[C@H](NCC#N)CC2)CC1=O 1034676790 VMBMTJHRFUKCDM-JOCQHMNTSA-N 307.398 -0.699 30 20 DBED C=C(C)CN1CCO[C@H](CNC(=O)c2cn(C)c(=O)cn2)C1 1035450292 PZACTVNVARGSES-GFCCVEGCSA-N 306.366 -0.213 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2CN(C[C@@H](C)O)CCO2)nn1 1035535296 HMCUXDFUKWMOMP-VXGBXAGGSA-N 309.370 -0.725 30 20 DBED N#CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1ccc2c(c1)C(=O)NC2=O 1037682527 BGLVCDQFBJBGAT-JIMOISOXSA-N 310.313 -0.104 30 20 DBED C[C@H]1[C@@H](Nc2cncc(C#N)n2)CCN1C(=O)[C@@H]1COC(=O)N1 1040113988 VFWQCCLYDLAPDL-LSJOCFKGSA-N 316.321 -0.142 30 20 DBED Cc1ncc(CC(=O)NC[C@@]2(O)CCN(C(=O)[C@H](C)C#N)C2)o1 1040116334 YPIHTTUCJZSCRI-BMIGLBTASA-N 320.349 -0.235 30 20 DBED Cc1nc(O)[nH]c1C(=O)NC[C@]1(O)CCN(C(=O)[C@@H](C)C#N)C1 1040131237 YOJVDCVWQZYMDW-RMLUDKJBSA-N 321.337 -0.723 30 20 DBED CC(C)C#CC(=O)N1CC[C@](O)(CNC(=O)c2cncn2C)C1 1040235341 SFPIEYXZNGGXQS-INIZCTEOSA-N 318.377 -0.227 30 20 DBED C=CCCCC(=O)NC[C@@]1(O)CCN(C(=O)c2cnn[nH]2)C1 1040733445 MSEIXBNRYGUTIW-AWEZNQCLSA-N 307.354 -0.146 30 20 DBED COc1nc(C(=O)N2CC[C@](O)(CNC(=O)[C@@H](C)C#N)C2)co1 1040765738 KPVSIENLKBFGBH-XPTSAGLGSA-N 322.321 -0.464 30 20 DBED Cn1ncc(C(=O)N[C@@H]2CN(c3ncccc3C#N)C[C@H]2O)n1 1041094455 GYVQWJVZDCOFEW-VXGBXAGGSA-N 313.321 -0.939 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)c2cnsn2)C1 1042040127 OHDINOZDZLEHRX-UHFFFAOYSA-N 312.351 -0.956 30 20 DBED Cc1ccc(CC(=O)NCC2(O)CN(C(=O)[C@@H](C)C#N)C2)o1 1042622118 MAFMKJIAPYGEQM-JTQLQIEISA-N 305.334 -0.020 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)c2cnn(C)c2N)C1 1042704130 ZRHMCGAAJVQZJH-UHFFFAOYSA-N 307.354 -0.728 30 20 DBED Cc1cc[nH]c1C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1043924585 KQLHNBUEHZBRLA-NEPJUHHUSA-N 312.333 -0.036 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)C[C@@H]2CCC(=O)N2C)C1 1044379855 OPHSMABOOUECCY-LBPRGKRZSA-N 323.393 -0.347 30 20 DBED C=C(C)C(C)(C)C(=O)NCC1(O)CN(C(=O)c2ncn(C)n2)C1 1044409391 FEPTXZPLBGIFKL-UHFFFAOYSA-N 321.381 -0.280 30 20 DBED C#CCN[C@@H]1CCN(C(=O)c2cnc(O)n(C)c2=O)[C@H](C)C1 1044709182 VHISHKKYMSTCMG-GHMZBOCLSA-N 304.350 -0.298 30 20 DBED C=CCCCC(=O)NCC1(O)CN(C(=O)C2(NC(N)=O)CC2)C1 1045451405 QLOBLMCKWZCOMA-UHFFFAOYSA-N 324.381 -0.767 30 20 DBED N#CCN1CC[C@H](N2CCN(C(=O)CCn3cncn3)CC2)C1 1046003087 VKKQENZNVQSHJO-AWEZNQCLSA-N 317.397 -0.590 30 20 DBED C=CCCN1CC[C@@H](N2CCN(C(=O)[C@H]3CNC(=O)N3)CC2)C1 1046058976 WRFYDYBQHDPVLH-ZIAGYGMSSA-N 321.425 -0.538 30 20 DBED N#Cc1nccnc1N[C@H]1C[C@@H](CNC(=O)[C@H]2CNC(=O)N2)C1 1046561766 AVTSQQQEZVZECG-WCABBAIRSA-N 315.337 -0.664 30 20 DBED C=C[C@@H](CC)CC(=O)N1CC(O)(CNC(=O)Cc2nc[nH]n2)C1 1046909159 IAMFCBNZZGZWIQ-NSHDSACASA-N 321.381 -0.361 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1C[C@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 1047009817 VAKZVQYIXWYFBT-GAFUQQFSSA-N 314.349 -0.637 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2COCCO2)C1 1047307534 OLAUVZKDHBSHIM-SRVKXCTJSA-N 304.774 -0.342 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cc3c(cn2)OCCO3)C1 1047412452 QJKWFJJWABTDPA-STQMWFEESA-N 317.345 -0.397 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cn3cccnc3n2)C1 1047441890 OPHFSUIHGBDUKN-KBPBESRZSA-N 313.361 -0.130 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@]2(C)CCC(=O)NC2)C1 1047497166 QFINSAMAVQRPFU-XEZPLFJOSA-N 307.394 -0.571 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)[C@H]1CCN(C(=O)COC)C1 1049766294 RYCXXOWJUPWXOA-NEPJUHHUSA-N 309.366 -0.875 30 20 DBED C=CCOCC(=O)N1CC[C@@H]([C@H](C)NC(=O)c2cn(C)nn2)C1 1050296491 GQPGPXLAYQUCRN-NWDGAFQWSA-N 321.381 -0.016 30 20 DBED N#CCN1CCOC[C@H]1CNC(=O)c1cnc2[nH]cnc2c1 1050939379 IUWJDCADLLDQPH-LLVKDONJSA-N 300.322 -0.088 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)c1cnn2c1OCCC2 1051004208 AZTHZWOJPSMCOR-GFCCVEGCSA-N 304.350 -0.271 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)[C@H]1CCc2nnn(C)c2C1 1051088115 TYCGIYYHZFBNRQ-QWHCGFSZSA-N 317.393 -0.630 30 20 DBED N#CCN1CCN([C@@H]2CCN(C(=O)CO[C@@H]3CCOC3)C2)CC1 1052027210 YRLVJFPBSVNDTQ-HUUCEWRRSA-N 322.409 -0.466 30 20 DBED C#CCN1CC2(CC[C@H](CNC(=O)[C@H]3CN(C)C[C@@H](C)O3)O2)C1 1053617593 BQQOJMCOIRDEMM-RBSFLKMASA-N 321.421 -0.312 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)c3ccnc4[nH]nnc34)CO2)C1 1053867442 KXXNZAWMHRXVEP-SECBINFHSA-N 313.321 -0.550 30 20 DBED N#Cc1ccccc1CN1CC2(C[C@H](NC(=O)C(N)=O)CO2)C1 1053911609 IGWMNSNBCPYXGK-ZDUSSCGKSA-N 314.345 -0.497 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)[C@H]3CCCN3C(C)=O)CO2)C1 1054019220 QDZLQYYZZDMWSN-LSDHHAIUSA-N 319.405 -0.020 30 20 DBED C[C@H](C#N)C(=O)NC1CCN(CCNC(=O)c2cn[nH]c2)CC1 1055530959 ZBSCJVWVGBIASU-LLVKDONJSA-N 318.381 -0.120 30 20 DBED O=C(N[C@@]1(CO)CCCN(C(=O)C#CC2CC2)C1)c1cc[nH]n1 1055790938 UKPGMMQERVWRGE-INIZCTEOSA-N 316.361 -0.094 30 20 DBED CN(C)CCC(=O)N[C@]1(CO)CCCN(C(=O)C#CC2CC2)C1 1056103785 RPFRBCPHVCAMKU-QGZVFWFLSA-N 321.421 -0.179 30 20 DBED C#CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)c1cc(C)[nH]n1 1057104216 NYFAJRIMUWIJLG-LBPRGKRZSA-N 322.365 -0.693 30 20 DBED C#CCNC(=O)CC(=O)N(CCO)CCNC(=O)/C(C)=C/CC 1057390996 YCPGLTCUHNWYLU-AWNIVKPZSA-N 323.393 -0.581 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)[C@]1(C)CCNC1=O 1057445164 KJCKHEXTYGNVKT-MRXNPFEDSA-N 323.393 -0.747 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)CCc1ncc[nH]1 1057457978 JTSJWJQEISENIF-NSHDSACASA-N 307.354 -0.561 30 20 DBED C=CCO[C@H](C)C(=O)NCCN(CCO)C(=O)c1cncn1C 1058029804 TXXJQRBETXLURV-GFCCVEGCSA-N 324.381 -0.438 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)CCn1cccn1 1058652612 BDODIYKJQAKWAT-GFCCVEGCSA-N 307.354 -0.630 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)CCCCC(N)=O 1058657398 YMYTZDSGIUXGCC-LLVKDONJSA-N 312.370 -0.871 30 20 DBED COC(=O)c1nc(=N[C@H]2CCN(C(=O)[C@H](C)C#N)C2)cc[nH]1 1058853889 SGVGNOIHOVNCMK-ZJUUUORDSA-N 303.322 -0.142 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)Cn1cncn1 1058884428 SUMQXRJIOOOFDA-UHFFFAOYSA-N 307.354 -0.981 30 20 DBED Cc1cc(=N[C@H]2CCN(C(=O)[C@@H]3CCC(=O)N3)C2)c(C#N)c[nH]1 1058935277 CSKICJGUVOPZGA-STQMWFEESA-N 313.361 -0.025 30 20 DBED C[C@@H](C(=O)N[C@H]1C[C@H](N=c2cc[nH]c(C#N)n2)C1)n1cncn1 1059187110 VXBSGJOFJCDLEC-DCAQKATOSA-N 312.337 -0.318 30 20 DBED O=C(NCC[C@H]1CCN(C(=O)C#CC2CC2)C1)[C@H]1CCNC1=O 1059622433 IITSJTHCGVHWDF-UONOGXRCSA-N 317.389 -0.109 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@H]1CC[C@H](CNC(=O)C(N)=O)CC1 1060721697 ZUHVJVJHZAAXSH-PGUXBMHVSA-N 311.382 -0.410 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 1060972279 HGVFNYOHTFSXKE-GXFFZTMASA-N 314.349 -0.683 30 20 DBED O=C(C#CC1CC1)NC[C@H]1COCCN1C(=O)c1cnon1 1061572138 PBDSBNTYKOSIQA-NSHDSACASA-N 304.306 -0.560 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)c1ccnc(O)c1 1061847508 LOIUYMYCDDPKEI-JQWIXIFHSA-N 318.333 -0.096 30 20 DBED C#CCCCC(=O)N1CCOC[C@@H]1CNC(=O)[C@H]1C[C@H]1C(N)=O 1061905492 GLVCGRSRPVVOFE-XQQFMLRXSA-N 321.377 -0.745 30 20 DBED C#CCNC(=O)CC(=O)NCC1(NC(=O)C[C@H](C)OC)CCC1 1062829142 AYEVNLAMFQEACX-LBPRGKRZSA-N 323.393 -0.294 30 20 DBED CN(C(=O)Cn1cncn1)[C@H]1CCN(c2ccnc(C#N)n2)C1 1062932851 HOSHBDQJHAOTJO-NSHDSACASA-N 312.337 -0.323 30 20 DBED Cn1ncc(C(=O)N[C@H]2[C@H]3C[C@H]2N(c2ccnc(C#N)n2)C3)n1 1064274962 IUGZXKFXEQCNKT-PLMOITTCSA-N 310.321 -0.516 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@@H]1CN(C(C)=O)CCO1 1064711944 UXRKBUHJMLIKNR-KGLIPLIRSA-N 311.382 -0.179 30 20 DBED CC(C)C#CC(=O)N1CCO[C@H](CNC(=O)CCNC(N)=O)C1 1065132177 AHTWFRDPVXPNFN-GFCCVEGCSA-N 324.381 -0.952 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CN(C(=O)c2cn(C)c(O)n2)CCO1 1065575149 UWJIBFUQFVBJLH-ZJUUUORDSA-N 321.337 -0.757 30 20 DBED CN(C(=O)c1cc[nH]c1)[C@H]1CN(c2nccnc2C#N)C[C@@H]1O 1065626414 RENDCYMFWZJBBN-STQMWFEESA-N 312.333 -0.002 30 20 DBED N#Cc1cccnc1N1CCOC[C@H]1CNC(=O)c1nc[nH]n1 1066495223 OSSDUQZAAAXRFS-LLVKDONJSA-N 313.321 -0.293 30 20 DBED C[C@H]1C[C@H](CNc2ccc(C#N)nn2)CN1C(=O)CC(N)=O 1068302691 JSITWOMBGHLWMT-VHSXEESVSA-N 302.338 -0.127 30 20 DBED C=C[C@@H](C)[C@H](C)C(=O)N1CC2(CN(C(=O)CC(N)=O)CCO2)C1 1068363216 IJWYDQOFVAUTCL-NEPJUHHUSA-N 323.393 -0.240 30 20 DBED C=CCC(CC=C)C(=O)N1CC2(C[C@H](NC(=O)C(N)=O)CO2)C1 1068992318 JAEMCGOLHKCCPF-LBPRGKRZSA-N 321.377 -0.274 30 20 DBED Cc1ncoc1C(=O)N1C[C@H](n2ccnn2)[C@H](NCC#N)C1 1070167265 ORHNISZDSLESHC-MNOVXSKESA-N 301.310 -0.247 30 20 DBED C#CCN[C@@H]1CN(C(=O)C[C@H]2CCN(C)C2)C[C@@H]1n1ccnn1 1070310133 PZSUCCSEFCMDKU-KFWWJZLASA-N 316.409 -0.405 30 20 DBED C#CCN[C@@H]1CN(C(=O)Cc2cncnc2)C[C@H]1c1cn(C)cn1 1070487573 NGOHDYRTNJNNQN-GOEBONIOSA-N 324.388 -0.030 30 20 DBED CC(C)[C@@H](O)C(=O)N1CCC[C@@H](N2CCN(CC#N)CC2=O)C1 1071264252 RNFGQWIRLRRVGX-UKRRQHHQSA-N 322.409 -0.338 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](NC(=O)CCNC(N)=O)[C@H](C)C1 1072049470 UFNKIQNYVKBFMD-VXGBXAGGSA-N 308.382 -0.333 30 20 DBED C[C@@H]1CN(C(=O)CCNC(N)=O)C[C@@H]1NC(=O)C#CC1CC1 1072066253 MEFXNSFDIJOVHJ-PWSUYJOCSA-N 306.366 -0.579 30 20 DBED CC#CCN1CCC2(C1)CN(C(=O)c1cn(C)c(=O)n1C)C2 1073467989 PORXDXLJRYCBIY-UHFFFAOYSA-N 302.378 -0.105 30 20 DBED CC#CCN1CCO[C@@H]2CCN(C(=O)C3CN(C(C)=O)C3)C[C@H]21 1074226385 OQFHVZKYSSBWAR-HZPDHXFCSA-N 319.405 -0.210 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(C(=O)Cn2nccn2)[C@H](C)C1 1074895184 ZSFDPLFBIQLQKI-CHWSQXEVSA-N 321.381 -0.024 30 20 DBED C=CCOCC(=O)NCC[C@H](C)NC(=O)[C@@]1(C)CCNC1=O 1075919802 CJWPPVVXCYOBFF-NHYWBVRUSA-N 311.382 -0.274 30 20 DBED C[C@@H](CCNC(=O)c1ccc(C#N)[nH]1)NC(=O)[C@@H]1CCC(=O)N1 1076179050 STFZSMBLHDRHMB-CABZTGNLSA-N 317.349 -0.210 30 20 DBED C#CCOCCC(=O)NCC[C@H](C)NC(=O)CC(=O)NCC 1076503982 GHPMNRTZMFZIIF-LBPRGKRZSA-N 311.382 -0.437 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2ccc3c(c2)N(C)CCO3)C1 1077226245 GPLHXMBTTOBOLO-UKRRQHHQSA-N 315.373 -0.077 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3ccnc3)nn2)C1 1077829224 YRHJJWVGDGWOKF-CHWSQXEVSA-N 312.333 -0.930 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CCCN(C(=O)Cn2ncnn2)CC1 1079061892 LTQRASONUBDATF-NEPJUHHUSA-N 319.369 -0.328 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)CCCOC)C[C@@H]1O 1081344905 WKHVGIDKSFQISB-OLZOCXBDSA-N 314.382 -0.449 30 20 DBED O=C(Cc1ccon1)NC[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1081365087 KVEHAKJJENCMPL-GXTWGEPZSA-N 317.345 -0.434 30 20 DBED C=CCCOCC(=O)NC[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 1081568850 IEESZDIXRZYNKY-GJZGRUSLSA-N 320.389 -0.072 30 20 DBED CC#CCCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2cnn[nH]2)C1 1081589141 AXDWICAOWSIQLP-DGCLKSJQSA-N 319.365 -0.453 30 20 DBED C#CCN1C[C@@H](NC(=O)c2cnc(C)nc2OC)[C@H](OC)C1 1081773159 RNYIZVIZHICBAL-CHWSQXEVSA-N 304.350 -0.144 30 20 DBED C=C(C)CN1C[C@@H](NC(=O)c2cc(=O)n(C)cn2)[C@H](OC)C1 1081808259 FJBNHJFIIBKBDU-CHWSQXEVSA-N 306.366 -0.215 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCCN(C(=O)CC)C2)C1 1083483537 YOBAQKPKMOMRPU-MCIONIFRSA-N 307.394 -0.571 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCCCN2C(=O)CC)C1 1083484729 WOUHOJGWCOGPOX-KFWWJZLASA-N 321.421 -0.038 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(Cc2ccn(C)n2)C[C@@H]1O 1083789907 DQRSPWHPVVDRIB-KBXIAJHMSA-N 320.393 -0.328 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)[C@@H]3Cc4cncn4C(=O)N3)[C@@H]2C1 1084538049 XSJFSXBBZCTEDE-KWCYVHTRSA-N 313.361 -0.469 30 20 DBED C=CCN[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2)C[C@H]1c1cnn(C)c1 1086971614 WHMJCZNEAHXAMH-BFHYXJOUSA-N 317.393 -0.231 30 20 DBED N#CCN1CC[C@H](NC(=O)c2cn3c(n2)CCCC3)[C@@H](O)C1 1090308841 YJXGDSLENHZVLX-AAEUAGOBSA-N 303.366 -0.092 30 20 DBED COC[C@H](OC)C(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1O 1090528471 TZYKXFDIUQXBFI-UPJWGTAASA-N 320.349 -0.720 30 20 DBED C#CCN1CC[C@H](NC(=O)c2ccc3oc(O)nc3n2)[C@H](O)C1 1090721937 JBLGSRTZBJHDEQ-GXSJLCMTSA-N 316.317 -0.273 30 20 DBED CNC(=O)NCC(=O)N1C[C@@H](Nc2ccc(C#N)nn2)[C@H](C)C1 1091027365 YYQWQULLCABLBQ-MWLCHTKSSA-N 317.353 -0.464 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCO[C@@H]2CN(c3ncccn3)C[C@@H]21 1091056902 YAQJOBGPISXAQM-MELADBBJSA-N 316.361 -0.069 30 20 DBED C[C@@H]1[C@@H](NC(=O)CNC(N)=O)CCN1c1nccnc1C#N 1091922729 MKQNGMSMOAEWHQ-BDAKNGLRSA-N 303.326 -0.900 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(c2cnc(F)cn2)C[C@@H]1O 1092153942 PBBZIPINTRCMCL-QWRGUYRKSA-N 310.329 -0.126 30 20 DBED C#CCNC1CCC2(CC1)CN(C(=O)[C@H]1COC(=O)N1)CCO2 1093396375 JQOOMROXQDKFIK-MFOWVQHXSA-N 321.377 -0.142 30 20 DBED CCCS(=O)(=O)CC(=O)NCCNc1nccnc1C#N 1093661397 WMYFBOJBXFNEBW-UHFFFAOYSA-N 311.367 -0.299 30 20 DBED C#CCO[C@@H](C)C(=O)NCCNc1ncnc2c1nnn2C 1093878374 NNCIPDJBCVQVAP-VIFPVBQESA-N 303.326 -0.675 30 20 DBED C#CCN1CC(n2cc(CNC(=O)c3cc(OC)no3)nn2)C1 1094284962 XPAKRTDWMPMRMP-UHFFFAOYSA-N 316.321 -0.305 30 20 DBED C#CCN1CCN(C(=O)C2CC=CC2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094617080 ILVLOOGFHIDOAC-UONOGXRCSA-N 308.403 -0.104 30 20 DBED Cc1ncc(C(=O)N[C@@H]2CC(=O)N(C3CN(CC#N)C3)C2)s1 1094713443 BANDHVIVGMLTHH-SNVBAGLBSA-N 319.390 -0.010 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)c3n[nH]c(C)c3C)CC2=O)C1 1094714254 TZIMSUXWQAWCTC-LBPRGKRZSA-N 315.377 -0.325 30 20 DBED CC#CCN1CC(N2C[C@@H](NC(=O)Cc3ncc[nH]3)CC2=O)C1 1094803259 LDOOGSPLGBZRBD-LBPRGKRZSA-N 315.377 -0.623 30 20 DBED CNC(=O)NCC(=O)N1CCCN(c2nccnc2C#N)CC1 1095208457 LIKNQZXLNWNBHE-UHFFFAOYSA-N 317.353 -0.684 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CCN(c2cc(C)ncn2)C1 1096359647 FLWPHTWHWPWYBZ-LBPRGKRZSA-N 301.350 -0.381 30 20 DBED CNC(=O)NCC(=O)NC[C@@H](Nc1ccc(C#N)nn1)C1CC1 1096837768 UMNJFIFUMPUSDX-LLVKDONJSA-N 317.353 -0.416 30 20 DBED C[C@H](CNC(=O)[C@@H]1CC(=O)N(C)C1)N=c1cc[nH]c(C#N)n1 1098346447 PZLSLXMSDCHTFO-NXEZZACHSA-N 302.338 -0.835 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@@H](n2cc(CNCCO)nn2)C1 1098673974 WTZCSACRVRRICC-TZMCWYRMSA-N 321.381 -0.828 30 20 DBED COCC#CCN1CC[C@H](NC(=O)COCC2CC2)[C@@H](O)C1 1099701746 IXDBBHTYWYYJAT-GJZGRUSLSA-N 310.394 -0.386 30 20 DBED Cn1nccc1CCN1CC[C@H](NC(=O)C#CC2CC2)[C@@H](O)C1 1099827329 VSRPUTYYIITKQT-HOTGVXAUSA-N 316.405 -0.073 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)c2cnco2)[C@@H](O)C1 1099936636 BKIKZFPODIFSLG-QWRGUYRKSA-N 308.338 -0.858 30 20 DBED C#CCN1CC[C@@H](NC(=O)C(C)(C)NC(=O)NCC)[C@H](O)C1 1100024948 RIQXZUJZUDHIOS-VXGBXAGGSA-N 310.398 -0.731 30 20 DBED C#CCO[C@H](C)C(=O)NCC1CC(NCCS(C)(=O)=O)C1 1100322505 KRACWDZMTRRFRJ-PNESKVBLSA-N 316.423 -0.446 30 20 DBED CCN(CCNC(=O)[C@H]1CN(C)C(=O)N1)c1ccc(C#N)nn1 1100684148 IOOXHNGLCVQAFR-LLVKDONJSA-N 317.353 -0.686 30 20 DBED N#Cc1cnc(N2CCC[C@@H]2CNC(=O)Cn2nccn2)cn1 1100872508 ZGWYIPBWRDPXNY-GFCCVEGCSA-N 312.337 -0.275 30 20 DBED CNC(=O)NCC(=O)NC[C@@H]1CCN(c2ccnc(C#N)n2)C1 1101065660 AXIPUGTVMIFGLN-JTQLQIEISA-N 317.353 -0.780 30 20 DBED COCC(=O)NCCC(=O)N(C)CCNc1ccc(C#N)cn1 1102004266 JPRRAJGHSSLVKS-UHFFFAOYSA-N 319.365 -0.024 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)[C@@H]1CN(C)CCO1 1103889830 IYCXXOHHXODTJL-RYUDHWBXSA-N 318.381 -0.735 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)[C@H]1CCC(=O)NC1 1104263822 RUDGSDMMQRFLTN-MNOVXSKESA-N 316.365 -0.539 30 20 DBED C[C@H](CNc1cnc(C#N)cn1)N(C)C(=O)c1nnn(C)n1 1104764308 PXJCGRLOIJZFSQ-MRVPVSSYSA-N 301.314 -0.556 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(n2cc(CNC[C@H](C)O)nn2)C1 1105227781 YRIXDSRDHBXJDL-NHYWBVRUSA-N 323.397 -0.541 30 20 DBED N#Cc1nc(=NC[C@H](O)CNC(=O)COCC2CC2)cc[nH]1 1105718781 QOIXVYBHIYNQFV-NSHDSACASA-N 305.338 -0.914 30 20 DBED C=CCCO[C@@H](C)C(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1 1105737890 LRGBBEDSCLZVFW-NWDGAFQWSA-N 319.365 -0.360 30 20 DBED Cc1conc1C(=O)NC[C@H](O)CNc1cnc(C#N)cn1 1105955070 LYVUUAHNAQTSJO-SNVBAGLBSA-N 302.294 -0.153 30 20 DBED C#CCOCCC(=O)NC[C@@H](O)CNc1ncccc1C#N 1105967248 YCBHBWCWBPRVLK-CYBMUJFWSA-N 302.334 -0.118 30 20 DBED C#Cc1cncc(C(=O)NC[C@H](O)CN=c2cc[nH]cc2C#N)c1 1106099830 HJMPPGOAMAGBAT-OAHLLOKOSA-N 321.340 -0.046 30 20 DBED C[C@@H](CCNc1cncc(C#N)n1)NC(=O)CCNC(N)=O 1106328617 PFDPOHXYHNRHQT-VIFPVBQESA-N 305.342 -0.287 30 20 DBED C=CCNC(=O)CNC[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1C 1106778299 FVONQTCRURBGNK-GHMZBOCLSA-N 306.370 -0.595 30 20 DBED N#Cc1c[nH]ccc1=NC/C=C\CNC(=O)C1CS(=O)(=O)C1 1107358362 AQPACNQLXRPOKE-UPHRSURJSA-N 320.374 -0.496 30 20 DBED CNC(=O)NCC(=O)NC/C=C\CNc1ccc(C#N)cn1 1107571216 ALHGYSQNRGQBEP-IHWYPQMZSA-N 302.338 -0.033 30 20 DBED C=CCCO[C@H](C)C(=O)NC[C@@]1(C)CN(CC(N)=O)CCO1 1107792050 FUJHRJQQRTWEOC-DOMZBBRYSA-N 313.398 -0.340 30 20 DBED C=CCOCC(=O)NC[C@@]1(C)CN(CCn2cncn2)CCO1 1107813215 PLZOAGICWSHBSR-HNNXBMFYSA-N 323.397 -0.312 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@]1(C)CN(Cc2cnn(C)n2)CCO1 1107819438 PFVNQMBJHZOGDX-FZMZJTMJSA-N 306.370 -0.318 30 20 DBED C#Cc1ccc(C(=O)NC[C@]2(C)CN(CC(N)=O)CCO2)nc1 1108351876 QJSHNFIMIAVGRW-MRXNPFEDSA-N 316.361 -0.631 30 20 DBED C=C(C)CCC(=O)N1CCN(CCO)[C@H]2CS(=O)(=O)C[C@H]21 1108476808 RBRVLPOIMBRGBD-QWHCGFSZSA-N 316.423 -0.355 30 20 DBED COCCC1(C(=O)N[C@H]2CC(=O)N(C3CN(CC#N)C3)C2)CC1 1108552744 UARBDMRHHQEPBO-LBPRGKRZSA-N 320.393 -0.272 30 20 DBED C[C@@H](CN(C)c1nccnc1C#N)NC(=O)[C@H]1CCNC(=O)C1 1108895168 QRAXVIKTUXVRIV-QWRGUYRKSA-N 316.365 -0.185 30 20 DBED N#Cc1ccc(NC[C@@H](NC(=O)CNC(N)=O)C2CC2)nc1 1109753779 JGPBQJSYKZOOSX-LLVKDONJSA-N 302.338 -0.072 30 20 DBED N#Cc1cncc(NC2(CNC(=O)Cn3cnnc3O)CC2)n1 1110099081 SKXZITTVUVBWPB-UHFFFAOYSA-N 314.309 -0.594 30 20 DBED N#Cc1cncc(NC2(CNC(=O)[C@H]3CCNC3=O)CC2)n1 1110302218 WKNWWWKESNGQCO-JTQLQIEISA-N 300.322 -0.455 30 20 DBED Cc1ccc(C#N)c(N2CCC[C@](CO)(NC(=O)C(N)=O)C2)n1 1111363787 FWWKZEICMBNEFB-HNNXBMFYSA-N 317.349 -0.806 30 20 DBED C[C@H]1CN(C(=O)CNC(N)=O)C[C@H]1Nc1cncc(C#N)n1 1112306393 FSEGBYJJUSGZRC-WCBMZHEXSA-N 303.326 -0.725 30 20 DBED COCCC(=O)NC[C@H]1CN(c2ccc(C#N)nc2)C[C@H]1O 1112689167 JLKIFDQTXHYJEK-SMDDNHRTSA-N 304.350 -0.097 30 20 DBED CN(C)CCC(=O)NC[C@@H]1CN(c2ccncc2C#N)C[C@H]1O 1112756031 SYBLCEPQYNKTCK-UKRRQHHQSA-N 317.393 -0.182 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)c2cnnn2CC)CC1 1112821222 QVDILAOEEAGEHC-LBPRGKRZSA-N 320.397 -0.254 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCN([C@@H](C)c2nnnn2C)CC1 1112846523 QXMNJRLCQYSTGF-RYUDHWBXSA-N 306.370 -0.546 30 20 DBED C[C@@H](CNC(=O)[C@@H]1COC(=O)N1)N(C)c1ccc(C#N)nn1 1113590355 BRDXJFBDXDEIQL-WPRPVWTQSA-N 304.310 -0.602 30 20 DBED C[C@@H](CNC(=O)C[C@H]1CCNC1=O)N(C)c1ccc(C#N)nn1 1113755438 CLZZMUKJSCHXKW-WDEREUQCSA-N 316.365 -0.185 30 20 DBED C[C@H](CNC(=O)C[C@@H]1CCNC1=O)N(C)c1nccnc1C#N 1113755530 FIULYEHEZRITFN-MNOVXSKESA-N 316.365 -0.185 30 20 DBED N#CCNC(=O)CN1C[C@@H]2C(NC(=O)COC3CCCC3)[C@H]2C1 1113937236 CAPCSBNEMOZYDO-STQMWFEESA-N 320.393 -0.368 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)CC(=O)N(C)C)[C@@H]2C1 1114947789 QUIILHRAPONOSI-QJPTWQEYSA-N 322.409 -0.798 30 20 DBED C[C@@H](CCCNc1ccc(C#N)nn1)NC(=O)Cn1ncnn1 1115012011 DLZFSETXGHKSPB-JTQLQIEISA-N 315.341 -0.268 30 20 DBED CNC(=O)CNC(=S)NN=Cc1ccc([S@@](C)=O)cc1 1116202706 PQYONEXQQISTDJ-HXUWFJFHSA-N 312.420 -0.032 30 20 DBED CC[C@@H](C#N)NC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 1116667823 LVWRDJAWNRQWON-OUAUKWLOSA-N 313.379 -0.560 30 20 DBED CN1CC[C@@H](C(=O)NC[C@H](CO)N=c2cc[nH]cc2C#N)C1 1121588981 DSFOGWUALJWFSL-DGCLKSJQSA-N 303.366 -0.784 30 20 DBED N#Cc1cccnc1N[C@H](CO)CNC(=O)CCCCC(N)=O 1122045780 WTNDTIBZIHJNIR-LBPRGKRZSA-N 319.365 -0.112 30 20 DBED Cn1c(C(=O)NC[C@H](CO)Nc2ncccc2C#N)cnc1O 1122304887 UAIKCAXMSSATNK-SNVBAGLBSA-N 316.321 -0.405 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)[C@H]2CCC(=O)NC2)nc1 1122830362 TZZGBFNRJJPXIP-RYUDHWBXSA-N 317.349 -0.632 30 20 DBED CN(C[C@H](O)CNc1cnc(C#N)cn1)C(=O)c1cnn(C)n1 1124416128 ZKOCUEJBWPWCDY-SNVBAGLBSA-N 316.325 -0.978 30 20 DBED COCCNCc1nnc2n1CC[C@@H](NC(=O)[C@@H](C)C#N)CC2 1127964490 LSXZETYAHFICEO-RYUDHWBXSA-N 320.397 -0.005 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)CCCn2ccnn2)C1=O 1129172742 UOLJRDQOAXLYSV-CYBMUJFWSA-N 320.397 -0.449 30 20 DBED COCC#CCNCCNC(=O)[C@H]1CCCCS1(=O)=O 1129335534 UQYKROZGPGRXDM-GFCCVEGCSA-N 302.396 -0.691 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2C[C@@H]3CN(CCOCCO)C[C@]2(C1)O3 1131210705 VDPKEPHHRJHOTQ-TTZDDIAXSA-N 323.393 -0.543 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2n[nH]cc2F)CC[C@H]1C 1132274323 RUOKFMUMBXKATE-MNOVXSKESA-N 321.356 -0.119 30 20 DBED C[C@@H]1CC[C@H](NC(=O)CCn2cc[nH]c(=O)c2=O)CN1CC#N 1132355155 VDEXVQINLFAGSP-NEPJUHHUSA-N 319.365 -0.581 30 20 DBED COCC#CCNC[C@H]1CN(C(=O)CNC(N)=O)CC[C@@H]1C 1132637432 JGAXFWMLUWHVKC-STQMWFEESA-N 310.398 -0.621 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCCNCC(=O)Nc1ccon1 1134062028 OLFITZJOLKQDSE-MNOVXSKESA-N 308.338 -0.090 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)CCCC(=O)NCCC 1148249830 NQHBREHYACBQBY-ZDUSSCGKSA-N 324.425 -0.473 30 20 DBED CC#CCN1CCCO[C@H](CNC(=O)CCn2ccnn2)C1 1149613976 AJRMSFJCCIUPHJ-CQSZACIVSA-N 305.382 -0.101 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)c1ccn(C)n1 1151089716 UIOYSVCISUZAFM-SNVBAGLBSA-N 322.369 -0.860 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)c2cnn(C)c2)C1=O 1154514200 WTSONFLFNWEHPW-ZDUSSCGKSA-N 305.382 -0.084 30 20 DBED C#CCNC(=O)CC(=O)NCCCNC[C@@H]1CCNC(=O)CC1 1156847787 HLXYFHXQXBXONA-ZDUSSCGKSA-N 322.409 -0.862 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@H]1CCc2nccn2C1 1161300311 JEOICEJYCLXVSW-ZDUSSCGKSA-N 317.393 -0.709 30 20 DBED C=CCC[C@@H](C)NCCCNC(=O)CNS(=O)(=O)NC 1163284302 ZDUQPQNNALCXJP-LLVKDONJSA-N 306.432 -0.509 30 20 DBED C#CCNC(=O)CNCCCNC(=O)CCc1ccc(O)nc1 1164539291 WDUAKWYJOZXBFB-UHFFFAOYSA-N 318.377 -0.435 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)CCCCN[C@@H]1CCNC1=O 1170310046 ATBBEPZVZDHQBH-CHWSQXEVSA-N 322.409 -0.721 30 20 DBED COCC#CCNCCCNC(=O)[C@H]1CCc2nn[nH]c2C1 1171063397 CWIUUJBZFFENIH-LBPRGKRZSA-N 305.382 -0.345 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H]2OCCN(CCF)[C@@H]2C1 1176983061 MTDIUBWGACHGRQ-CHWSQXEVSA-N 311.357 -0.603 30 20 DBED CCNC(=O)NC(=O)CN[C@H]1CCN(C(=O)C#CC2CC2)[C@H]1C 1178648647 KEAKHNKYSRNXQE-AAEUAGOBSA-N 320.393 -0.176 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](N[C@H](C)C(=O)NCC=C)C1 1182522977 SOJKROQJIAYDIC-ZIAGYGMSSA-N 307.394 -0.093 30 20 DBED C[C@H](CC(=O)N1CC[C@@H](NCC(=O)NCC#N)C1)n1ccnc1 1185959066 HMPBMKGTMDWMQX-CHWSQXEVSA-N 318.381 -0.336 30 20 DBED C[C@H](C(=O)N1CC[C@H](N(C)CC(=O)NCC#N)C1)n1cncn1 1189705001 FUTTZJXXPWRHJU-NEPJUHHUSA-N 319.369 -0.988 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@H]1CCN(C(=O)c2ncn(C)n2)C1 1189983240 HAURISWJJFVSBU-RYUDHWBXSA-N 318.381 -0.901 30 20 DBED CC(C)N(C)CC(=O)N1CC[C@H]2CN(CC(=O)NCC#N)C[C@H]21 1190350910 PAIZUAJONUHTLV-UONOGXRCSA-N 321.425 -0.501 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)CCn2ccnc2)C1 1191625290 LFODDMNHUDRLTO-AWEZNQCLSA-N 317.393 -0.445 30 20 DBED CC(C)[C@@H](C)CC(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1O 1191697852 PGFDEKSATXPPSW-YNEHKIRRSA-N 310.398 -0.530 30 20 DBED C#CCCCC(=O)N[C@@H]1CN([C@@H](C)C(=O)NCC=C)C[C@H]1O 1192524600 KKPUBUHZGGPDTD-BFHYXJOUSA-N 307.394 -0.358 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)Cc2ccn(C)n2)CC1 1195768370 COQXCXAYBAJQFS-UHFFFAOYSA-N 319.409 -0.201 30 20 DBED CCN(C)C(=O)CNC[C@@H]1CN(C(=O)[C@@H](C)C#N)CCCO1 1200115595 NTDXMNATSWQLEX-QWHCGFSZSA-N 310.398 -0.169 30 20 DBED C#CCNC(=O)CC(=O)N1CCC(NCC#CCOC)CC1 1200171149 SJRFJIJFOWHJSL-UHFFFAOYSA-N 305.378 -0.644 30 20 DBED C#CCNC(=O)CC(=O)N1CCC(NCc2ccon2)CC1 1200171301 WWFNWNZGDVOUEQ-UHFFFAOYSA-N 304.350 -0.105 30 20 DBED CC#CCNC[C@H]1CN(C(=O)Cn2cnnc2O)CCCO1 1200298286 FAEJQKFLJHMFTI-LBPRGKRZSA-N 307.354 -0.786 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)Cc2n[nH]c(C)n2)CCCO1 1200452193 CWOYFZZOOKKBKV-CYBMUJFWSA-N 305.382 -0.114 30 20 DBED Cc1ncn(C)c1C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1207637880 SUGNXABRCZDZKV-ZYHUDNBSSA-N 318.381 -0.582 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC[C@H](NCC(=O)N2CCC2)C1 1208014211 NNXWLMXKOIDAIN-KGLIPLIRSA-N 307.394 -0.162 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)[C@H]1CCN(C)C1 1211026121 SFMSAFQAXLGLEZ-FRRDWIJNSA-N 307.398 -0.986 30 20 DBED C=CCOCCCC(=O)N[C@@H]1CN(CC(=O)NC)C[C@H]1OC 1212092938 XQGJPGHHCIKWFX-CHWSQXEVSA-N 313.398 -0.469 30 20 DBED COc1cc(CN2C[C@H](O)[C@H](NC(=O)[C@@H](C)C#N)C2)ccn1 1219378713 CUBFASBMRDXMKU-UHTWSYAYSA-N 304.350 -0.089 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)/C=C(\C)CC)C1 1219583760 OBYDPXIOEOVGCC-RIUQNPMQSA-N 307.394 -0.358 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C(C)(C)C(F)F)C1 1220323080 OIGGSXRMKRKFQB-ZJUUUORDSA-N 317.336 -0.812 30 20 DBED C=CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3cnnn3C)[C@@H]2C1 1221519783 HKRGPLSLWLGXAR-DGCLKSJQSA-N 318.381 -0.736 30 20 DBED COCC#CCN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CNC(=O)N1 1228260487 BEXAXKCIEJFKRL-UPJWGTAASA-N 308.382 -0.665 30 20 DBED C=CCN1CCS(=O)(=O)[C@H](CCNC(=O)c2ccncn2)C1 1230512013 GQTKJVIYKFZHSZ-GFCCVEGCSA-N 324.406 -0.119 30 20 DBED C#CCNC(=O)CC(=O)N(C)C[C@H]1CCN1Cc1cnon1 1233809279 HVPMNZXHNWJOAD-GFCCVEGCSA-N 305.338 -0.758 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)[C@@H](C)OCC#C 1234227254 WNHGUIICICORCV-ZIAGYGMSSA-N 305.378 -0.693 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)[C@H](C)S(C)(=O)=O)C1 1316983367 WUWJVQIZMWIFDC-RYUDHWBXSA-N 304.412 -0.187 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N(C)[C@H]1CCS(=O)(=O)C1 1320138055 VEYVKEOEKBZXTP-JTQLQIEISA-N 324.424 -0.584 30 20 DBED C=CCSCCNC(=O)C(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1 1321939675 SJTGBNHJTRBYFW-UWVGGRQHSA-N 315.395 -0.829 30 20 DBED CC(C)CN(C)C(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1322760106 KXPCPHYYIKTJMQ-OUKQBFOZSA-N 322.365 -0.257 30 20 DBED CC1(C)CN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)CC[C@H]1O 1326241575 SCYMIAQCNJKUGA-ABAIWWIYSA-N 309.366 -0.517 30 20 DBED N#CC[C@@H]1CCCN(C(=O)C(=O)N2CCn3ncnc3C2)C1 1327690080 LSCZNKRIPAARSA-NSHDSACASA-N 302.338 -0.227 30 20 DBED C#CC[C@H](NC(=O)N(C)[C@@H]1CCS(=O)(=O)C1)C(=O)OC 1329368109 FRNVGQSNSAIGPD-ZJUUUORDSA-N 302.352 -0.620 30 20 DBED C[C@@H](NC(=O)C(=O)N1CC[C@@](O)(CC#N)C1)c1ccn(C)n1 1329372039 RWUMHOHPRMUYTB-YGRLFVJLSA-N 305.338 -0.526 30 20 DBED C#C[C@H](NC(=O)C(=O)Nc1ccnc(COC)n1)[C@H]1CCCO1 1330298726 GQTAAJVFVNHLHY-WDEREUQCSA-N 318.333 -0.142 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@H]1C[C@H](C(=O)OC)C1)[C@@H]1CCCO1 1330755280 LEGBABMPTFDGEZ-BJDJZHNGSA-N 308.334 -0.649 30 20 DBED C=C(C)CN(C)C(=O)C(=O)N[C@@H]1CCN(C2CCOCC2)C1=O 1331028398 FBMZKALGMCHSBT-CYBMUJFWSA-N 323.393 -0.083 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2C2OCCO2)CCO1 1335144801 XOHFYWSKIROFDO-MNOVXSKESA-N 309.322 -0.899 30 20 DBED N#C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H](C3OCCO3)C2)C1 1336487939 FAYLTOUPNLPTKD-RYUDHWBXSA-N 307.350 -0.030 30 20 DBED C=CCN(C(=O)C(=O)NCCS(=O)(=O)NCC)C1CC1 1341953860 MKBSLECWPCLACN-UHFFFAOYSA-N 303.384 -0.781 30 20 DBED CC(C)N1CCC[C@H](CNC(=O)C(=O)N2CCO[C@@H](C#N)C2)C1 1345494771 NIMXGWMAQUXOQK-KGLIPLIRSA-N 322.409 -0.026 30 20 DBED CC[C@@H]1CN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)C[C@H](C)O1 1345965453 IIIYXFWXFHBXMJ-YWPYICTPSA-N 309.366 -0.111 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)N2CC[C@H]([C@H]3CCOC3)C2)C1 1345972177 LLSPCPSOLWPSCF-XEZPLFJOSA-N 321.377 -0.252 30 20 DBED N#Cc1ccc(S(=O)(=O)CCNCCN2CCOCC2)nc1 1346123940 XOGVHNUXRCZWMC-UHFFFAOYSA-N 324.406 -0.351 30 20 DBED CC1(C)C[C@@H](O)CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)C1 1363233601 ROYYCZOKWOFXJS-NSHDSACASA-N 320.349 -0.170 30 20 DBED C[C@@H]1CC[C@H](CNC(=O)NCCn2cc(C#N)c(O)nc2=O)O1 1365396994 HINOMVWOTWXNOC-MWLCHTKSSA-N 321.337 -0.313 30 20 DBED COC[C@H](O)CN[C@H]1C[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 1365836741 SNRLWPFICFHREA-RAIGVLPGSA-N 306.366 -0.008 30 20 DBED C[C@@H](CN(C)C(=O)Cn1cncn1)NC(=O)c1c[nH]c(C#N)c1 1370620136 YNYHGWMSLGICDJ-JTQLQIEISA-N 315.337 -0.245 30 20 DBED CNC(=O)Cc1noc(CN(C)CCNC(=O)[C@H](C)C#N)n1 1371933254 JEXMYEQVQNYFKS-SECBINFHSA-N 308.342 -0.934 30 20 DBED COc1cc(C(=O)N(C)C[C@H](O)CNC(=O)[C@@H](C)C#N)ccn1 1384239664 XQJYSZJPNNGIRQ-CMPLNLGQSA-N 320.349 -0.201 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CCN(C(=O)c2cc(=O)n(C)cn2)C1 1385272588 XBIPNKSIGAHBGX-QWRGUYRKSA-N 317.349 -0.387 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1csc2cncn12 1389127566 NDIBZXAKKGLMCB-BDAKNGLRSA-N 321.362 -0.238 30 20 DBED N#Cc1ccc(CNC[C@H](O)CNC(=O)Cc2nc[nH]n2)cc1 1392427409 OXNBUOZBGLIYGM-ZDUSSCGKSA-N 314.349 -0.514 30 20 DBED CCOCC(=O)NC[C@@]1(O)CCN(C(=O)c2cc(C#N)c[nH]2)C1 1401056455 LTHSUYGSBIKSLF-HNNXBMFYSA-N 320.349 -0.384 30 20 DBED C[C@H](C#N)C(=O)NCCN(C)CC(=O)NCc1cccnc1 1403504228 FXNGJSHSSAXBCL-GFCCVEGCSA-N 303.366 -0.095 30 20 DBED CCO[C@H](C)C(=O)NC[C@H](O)CNC(=O)c1cc(C#N)c[nH]1 1410054142 KGKNIFQDHBQOQN-KOLCDFICSA-N 308.338 -0.482 30 20 DBED C[C@@H](C(=O)NCCn1cc(C#N)c(O)nc1=O)n1cccc1 1413313297 WBKUGBDNYZOPJX-JTQLQIEISA-N 301.306 -0.001 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CCCN(C(=O)CCN2CCOCC2)C1 1415960671 KWPOGDVXONQJOZ-KGLIPLIRSA-N 322.409 -0.024 30 20 DBED COc1cncc(C(=O)N(C)C[C@@H](O)CNC(=O)[C@@H](C)C#N)n1 1428189932 KFFWGIVRVKXBLB-UWVGGRQHSA-N 321.337 -0.806 30 20 DBED Cc1c(C(=O)NC[C@@H](NC(=O)[C@H](C)C#N)C2CC2)nnn1C 1429946647 MVPQAKVREYNNRV-LDYMZIIASA-N 304.354 -0.092 30 20 DBED C[C@H](C#N)C(=O)NCCN(C)C(=O)[C@@H]1CCS(=O)(=O)C1 1431476948 CTQSWUFSTRCGCX-NXEZZACHSA-N 301.368 -0.845 30 20 DBED C[C@@H](CNC(=O)[C@@H](C)C#N)NC(=O)COCc1ccnn1C 1431839134 KCWNHYMITYMZCO-QWRGUYRKSA-N 307.354 -0.283 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)c2cc(C(N)=O)ccn2)CC1 1433978169 ADFPBBQSSLHCBH-SECBINFHSA-N 315.333 -0.281 30 20 DBED CCC(=O)N1CC[C@@H](C(=O)N(C)CCNC(=O)[C@H](C)C#N)C1 1449187409 JJKPWMQKMIXVTF-VXGBXAGGSA-N 308.382 -0.021 30 20 DBED C=CCC[C@@H](C)N[C@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 1480122182 TUSKJKDKIUGCPQ-NEPJUHHUSA-N 320.397 -0.078 30 20 DBED Cc1nc(CC(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H](C)C#N)C2)n[nH]1 1489846670 VUYKWHNBGDPJNY-INTQDDNPSA-N 304.354 -0.174 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CCN(C(=O)CN2CCOCC2)C1 1495193324 GLDGIZJJZLLBSF-CHWSQXEVSA-N 308.382 -0.557 30 20 DBED CN1CCO[C@@H](C(=O)NCCN(C)C(=O)c2c[nH]c(C#N)c2)C1 1495927285 KSLOWUMPDCAMAX-CYBMUJFWSA-N 319.365 -0.595 30 20 DBED COc1ncnc(OC)c1C(=O)N(C)CCNC(=O)[C@H](C)C#N 1496502244 SCCKGTGIDDPWAU-SECBINFHSA-N 321.337 -0.158 30 20 DBED C=C(C)Cn1c([C@H](O)COC)nnc1N1CCN(C)C(=O)C1 1523759787 GEEMGNAOLQFMCL-LLVKDONJSA-N 309.370 -0.188 30 20 DBED C#CCCN1CCC(NC(=O)[C@H]2CN3CCN2C[C@H]3C)CC1 1527802414 ACZSUPBUTLTERH-GDBMZVCRSA-N 304.438 -0.021 30 20 DBED C#CCOCCC(=O)NC1CCN(C(=O)[C@H]2C[C@@H]2C(=O)O)CC1 1573310928 FHLNPYSGXXRYTF-STQMWFEESA-N 322.361 -0.146 30 20 DBED N#CC1(CS(=O)(=O)NCc2cncc(-c3nn[nH]n3)c2)CC1 1581857044 NQONWQDGEVKNSP-UHFFFAOYSA-N 319.350 -0.015 30 20 DBED C#CCN(CC(=O)O)c1nnnn1[C@H](C)CN1CCCC1=O 1588426911 GMLDUORBIGPVIU-SNVBAGLBSA-N 306.326 -0.619 30 20 DBED C=CCN1CCC(NC(=O)C(=O)N(C)C[C@H](C)C(=O)O)CC1 1588464145 GVFJPPALYURNCI-NSHDSACASA-N 311.382 -0.068 30 20 DBED C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N(CC#N)CCC(=O)O 1589356102 FJVJYRJKQPJSKR-WDEREUQCSA-N 310.354 -0.601 30 20 DBED Cn1c(=O)[nH]c(N[C@H]2C[C@H]3C[C@H](C(=O)O)C[C@@H]23)c(C#N)c1=O 1600893245 DNQVFSRSXBJMMR-JIOCBJNQSA-N 304.306 -0.144 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)NS(=O)(=O)CCCC(=O)O 1602755370 QQHVHPNTQQKAHE-SNVBAGLBSA-N 320.367 -0.232 30 20 DBED CN(CCN(C)c1ccc(C#N)nn1)C(=O)[C@@H]1C[C@@H]1C(=O)O 1606126650 KHFXSNWUXINUSI-MNOVXSKESA-N 303.322 -0.036 30 20 DBED COC(=O)[C@H](CC(=O)O)NS(=O)(=O)c1ccc(C#N)cc1 1606325080 GVLXLPPZISTCQX-JTQLQIEISA-N 312.303 -0.147 30 20 DBED C#C[C@H](Nc1c(-c2nn[nH]n2)c(=O)n(C)c(=O)n1C)C(C)C 1609020180 UGYYLNVBJPWZEX-QMMMGPOBSA-N 303.326 -0.666 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CCC[C@H]2CC(=O)O)nn1 1609485322 MLBXCDYDLWLDDG-NSHDSACASA-N 321.337 -0.454 30 20 DBED N#Cc1cccc(-c2nn[nH]n2)c1N1CC[C@H](CO)[C@@H](O)C1 1609499466 RIZAFCIXDGYRBN-PWSUYJOCSA-N 300.322 -0.082 30 20 DBED N#CCNC(=O)CN1CCC[C@H](NC(=O)c2csc(O)n2)C1 1660837862 HRODWMLNWWNONM-VIFPVBQESA-N 323.378 -0.317 30 20 DBED C=CCN1CC[C@@H](N[C@H](CNC(=O)CNC(C)=O)C2CC2)C1=O 1752445129 OASXUCMAGQAQFR-ZIAGYGMSSA-N 322.409 -0.606 30 20 DBED N#CCN[C@@H](CNC(=O)Cn1nc2ccccn2c1=O)C1CC1 1752471507 BXHALUUAMTYFMW-LBPRGKRZSA-N 314.349 -0.496 30 20 DBED C#CCNC(=O)CNC[C@@H]1CCCN(C(=O)[C@H]2CCN(C)C2)C1 1752812145 IHVGMWSAONRQCV-GJZGRUSLSA-N 320.437 -0.484 30 20 DBED C=CCN(C)[C@@H]1CCCN(C(=O)CS(=O)(=O)N(C)C)C1 1752997435 QBBJTZVPXVVFMH-GFCCVEGCSA-N 303.428 -0.013 30 20 DBED CC[C@H](CNC(=O)C[C@@H]1CCCOC1)NCC(=O)NCC#N 1753494754 MCWYWFQELZDNDT-QWHCGFSZSA-N 310.398 -0.073 30 20 DBED N#CCNCC[C@H]1CCCCN1C(=O)C[C@H]1CC(=O)NC1=O 1753790825 SXPZNUVHBXFYHT-VXGBXAGGSA-N 306.366 -0.076 30 20 DBED C#CCNC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CCCC1(C)C 1753924248 YBIBIARKTXXTNI-OLZOCXBDSA-N 309.410 -0.371 30 20 DBED C#CCNC(=O)CNC[C@@H](C)NC(=O)Cn1ccnc1C(C)C 1754243376 KOXBTZUCGVRPRT-CYBMUJFWSA-N 319.409 -0.150 30 20 DBED C=C(C)CN(CC)C(=O)[C@@H](C)NC[C@@H](NC(=O)C(N)=O)C1CC1 1754451016 ZERPIMBXLCYRCL-DGCLKSJQSA-N 324.425 -0.231 30 20 DBED CC1CCN(C(=O)CNCCN(CCO)C(=O)[C@@H](C)C#N)CC1 1754878369 QQWAOUPLZCDNKW-AWEZNQCLSA-N 324.425 -0.185 30 20 DBED CN1CC[C@@H](C(=O)NC2CC(CNCC(=O)NCC#N)C2)C1 1755220447 MTLVQGNFDMXVEK-OTTFEQOBSA-N 307.398 -0.938 30 20 DBED Cc1conc1C(=O)N1C[C@H]2CC[C@H]1CN2CC(=O)NCC#N 1755397993 CAMDGVCANZEDEJ-NEPJUHHUSA-N 317.349 -0.088 30 20 DBED C=CCCCN[C@H](CO)CNC(=O)[C@@]1(C)CCCS1(=O)=O 1755642127 PPPCLZPLHWDTMD-GXTWGEPZSA-N 318.439 -0.013 30 20 DBED CN(CCN1CCNC1=O)C[C@H](O)CN(C)C(=O)C#CC1CC1 1755800667 LDCOTWKOWUYINC-AWEZNQCLSA-N 322.409 -0.824 30 20 DBED C#CCNC(=O)CC(=O)N(C)[C@@H](C)CNC(=O)[C@@H](OC)C1CC1 1756020656 LMVNFRCKSPETFA-NHYWBVRUSA-N 323.393 -0.486 30 20 DBED C#CCCCC(=O)N(C)C[C@H](O)CNC(=O)c1csnn1 1756661387 YDTZMTSIHXFERI-SNVBAGLBSA-N 310.379 -0.109 30 20 DBED C[C@@H](C#N)C(=O)NCC1=CCN(C(=O)[C@@H]2CCN(C)C2=O)CC1 1756782773 BPBHKRMVZMHIBJ-WCQYABFASA-N 318.377 -0.101 30 20 DBED C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)n3ccnn3)C2)C1 1782762394 HUCCPEJGQKUNKR-IUODEOHRSA-N 317.349 -0.698 30 20 DBED CCC(=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)S 1800987078 GDFRGLZZRVQSLS-MWGHHZFTSA-N 314.407 -0.127 30 20 DBED CCn1cc(C#N)c(=O)n(CC(=O)NC(=O)NC(C)(C)C)c1=O 26158591 IGVORDFDODOXFO-UHFFFAOYSA-N 321.337 -0.474 30 20 DBED N#Cc1ccnc(N2CCN(CCN3C(=O)CNC3=O)CC2)c1 78339192 MWNXADMBWYSKFC-UHFFFAOYSA-N 314.349 -0.373 30 20 DBED C/N=C(/NCCN1CCCS1(=O)=O)NCc1ccnn1C 83859499 YBEMELARPBJXBH-UHFFFAOYSA-N 314.415 -0.879 30 20 DBED C=CCN(C(=O)[C@H]1CC(=O)N(C)C1)[C@H]1CCS(=O)(=O)C1 98100942 UGOPCJJMDSIJPT-QWRGUYRKSA-N 300.380 -0.334 30 20 DBED COCCn1c(N)c(C(=O)CN(C)[C@@H](C)CC#N)c(O)nc1=O 268329681 WVWRAADCYZTQMB-VIFPVBQESA-N 323.353 -0.406 30 20 DBED CC(C)(C#N)c1ccc(NC(=O)C(=O)NC[C@H](O)CO)cc1 275596619 FCOXODJYIALBRC-LBPRGKRZSA-N 305.334 -0.104 30 20 DBED C=CCNC(=O)CNC(=O)N[C@@H]1CCCN(c2ccnn2C)C1 278072576 GGPAEQFNABRAAC-GFCCVEGCSA-N 320.397 -0.010 30 20 DBED C=CCN(CC=C)[C@H](CNC(=O)[C@H](CO)NC(N)=O)C(C)C 295015147 YFBMZEYVFJQUFB-QWHCGFSZSA-N 312.414 -0.170 30 20 DBED C[C@H](C#N)CN(C)C(=O)C(=O)N1CC(=O)N[C@H]2CCCC[C@H]21 298829867 VLYWNIYPTPBGCP-GRYCIOLGSA-N 306.366 -0.126 30 20 DBED C[C@H]1C(O)=NCCN1/C(O)=N/C[C@H]1CCCN1S(C)(=O)=O 328731059 IGSQECGPMGXGMM-VHSXEESVSA-N 318.399 -0.015 30 20 DBED CS(=O)(=O)N1CCC[C@@H]1C/N=C(/O)NC[C@H](O)C1CC1 328762113 YNVOVYBBOAYXPI-MNOVXSKESA-N 305.400 -0.315 30 20 DBED O=S1(=O)CCCN1CCN/C(O)=N/CCC1(O)CCC1 328892030 SVCVNMZSFQRKCV-UHFFFAOYSA-N 305.400 -0.169 30 20 DBED COc1ccc(N=C(O)N2CCN3C(=O)C(=O)NC[C@H]3C2)cn1 330027113 MOZWFQDGPDEEGW-JTQLQIEISA-N 319.321 -0.722 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)NCCN1CCOC[C@H]1C 330410284 KSYOIKDHXCMUJF-NWDGAFQWSA-N 304.416 -0.225 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N1CCN2C(=O)CC[C@H]2C1 336883909 HLZSZGQXFJPKDL-MNOVXSKESA-N 300.384 -0.371 30 20 DBED COC(=O)[C@@H]1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)[C@H]1C 337174195 HQWRVCKXMYVBHP-GARJFASQSA-N 317.367 -0.661 30 20 DBED CN(C)c1cc(C#N)cc(C(=O)N(CC(N)=O)CC(N)=O)c1 339797492 MGUPTPJDAOFBPJ-UHFFFAOYSA-N 303.322 -0.963 30 20 DBED N#CC1(NC(=O)Cn2c(-c3cnccn3)noc2=O)CCC1 343846602 VSNYUDNRXRWKPG-UHFFFAOYSA-N 300.278 -0.144 30 20 DBED N#CCCCCS(=O)(=O)NCCC(=O)N1CCOCC1 345021954 PTCSPWMBHCIHDU-UHFFFAOYSA-N 303.384 -0.151 30 20 DBED COc1ccc(OC)c(S(=O)(=O)NCC(=O)NCC#N)c1 352537825 AUZAHIMFPPCDID-UHFFFAOYSA-N 313.335 -0.378 30 20 DBED N#Cc1cncc(S(=O)(=O)NCCCn2cc(CO)nn2)c1 352723676 CPGKXQBVVSTQJO-UHFFFAOYSA-N 322.350 -0.594 30 20 DBED CCOC[C@H](O)CNC(=O)CNC(=O)c1ccc(C#N)cc1 353624706 NRKUDTUNPSVJGC-CYBMUJFWSA-N 305.334 -0.198 30 20 DBED CCCCNC(=O)C1CCN(C(=O)NCC(=O)NCC#N)CC1 358280883 URPFFWSZLLFNRP-UHFFFAOYSA-N 323.397 -0.036 30 20 DBED C=CCNc1nnc(S(=O)(=O)CCCCC(N)=O)s1 358735209 MIFJKYVZOVOROX-UHFFFAOYSA-N 304.397 0.565 30 20 DBED C=CCN(CC=C)C(=O)CN1CCC[C@@H](S(N)(=O)=O)C1 364094708 ANPFIPTUIGJCOM-GFCCVEGCSA-N 301.412 -0.060 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](CN)C(C)(C)C)C1=O 423962390 UXTQGFXNFFLCPZ-VIFPVBQESA-N 310.354 -0.547 30 20 DBED COCCN(C)CCN1C[C@H](NC(=O)[C@]2(C#N)C[C@@H]2C)CC1=O 425310365 DUOXYKPGWGQJDQ-ZENOOKHLSA-N 322.409 -0.169 30 20 DBED CCOC(=O)[C@@](C)(O)CNS(=O)(=O)c1cccnc1C#N 428423675 PPGGWVLOIIUSKM-LBPRGKRZSA-N 313.335 -0.454 30 20 DBED C=CC(C)(C)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 448618616 OVBREWJTTXRBSR-UHFFFAOYSA-N 323.393 -0.272 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@](C)(CC)OC)C1=O 452731472 RVGAJABOIWXLMP-CQSZACIVSA-N 311.338 -0.106 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)Cc2ncccc2F)CC1 491278784 VRUUVYWJKQFSJC-UHFFFAOYSA-N 318.352 -0.343 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H](C(=O)O)[C@H]1CCOC1 565836706 FPXRSFIMBLVMJX-VWYCJHECSA-N 319.383 -0.208 30 20 DBED CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC[C@@H](O)C(N)=O 590337564 JIQDPFAQNMLDJL-DGCLKSJQSA-N 305.334 -0.076 30 20 DBED CC[C@@H](CNS(C)(=O)=O)NC(=O)N1CC[C@](F)(C#N)C1 590944187 RGHKBBHVQXFDEE-ONGXEEELSA-N 306.363 -0.039 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N1C[C@H](O)C[C@@H]1COC 593638430 WUYNYLQXJNSURD-IJLUTSLNSA-N 305.400 -0.206 30 20 DBED Cc1cc(NC(=O)C(=O)N2CCN(CCC#N)CC2)n(C)n1 602078366 PQWFRQGQIVNYJO-UHFFFAOYSA-N 304.354 -0.275 30 20 DBED N#CCCN(CCN1CCOCC1)C(=O)c1c[nH]c(C(N)=O)c1 604538433 KPYQMQBMVXVJRE-UHFFFAOYSA-N 319.365 -0.198 30 20 DBED CS(=O)(=O)Cc1nc(=NC(=O)N2CC[C@](F)(C#N)C2)o[nH]1 615541604 XIAMCUWLRYFFIQ-JTQLQIEISA-N 317.302 -0.494 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2CC[C@H](C(=O)N(C)C)O2)nn1 648345548 XVZSWYQRHORVFO-ZYHUDNBSSA-N 307.354 -0.170 30 20 DBED N#CCN(CC(=O)O)C(=O)Cn1nc(-c2ccccc2)oc1=O 739078800 MZXKTCKCOUSBIP-UHFFFAOYSA-N 316.273 -0.060 30 20 DBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NC1CCNCC1 746278406 IUQWFVNWDNYUOI-UHFFFAOYSA-N 322.390 -0.407 30 20 DBED C#CCOCCNC(=O)CNC(=O)CNC(=O)OC(C)(C)C 753225964 HSPLGRQECYTVCP-UHFFFAOYSA-N 313.354 -0.607 30 20 DBED CNS(=O)(=O)CCC(=O)OCC(=O)N(C)C(C)(C)C#N 767104118 KYSDDRPJNFBJBT-UHFFFAOYSA-N 305.356 -0.771 30 20 DBED C=CCS(=O)(=O)NC(=O)[C@H]1CCCCN1S(C)(=O)=O 772720766 SAQZLICXUIJDRY-SECBINFHSA-N 310.397 -0.568 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@@H]1CCc2n[nH]cc2C1)[C@@H]1CCCO1 788484124 IGEFUNXGYBHDCS-DYEKYZERSA-N 316.361 -0.320 30 20 DBED N#Cc1ccncc1N1CCN(C(=S)NCC(N)=O)CC1 793286290 IBBFZDGNBUNUIZ-UHFFFAOYSA-N 304.379 -0.565 30 20 DBED C=CCN1CC[C@@H](OC(=O)Cc2nc3ncccn3n2)C1=O 798595483 MFZVCIPCVSXYKY-SNVBAGLBSA-N 301.306 -0.003 30 20 DBED CNC(=O)C1(NS(=O)(=O)N2CCO[C@@H](C#N)C2)CCCC1 800041758 OYWROUQNAXAXCE-JTQLQIEISA-N 316.383 -0.896 30 20 DBED C#C[C@H](NC(=O)C(=O)NCCOC[C@@H]1CCCO1)[C@@H]1CCCO1 803560134 VYGNMIQIAWBAMA-IHRRRGAJSA-N 324.377 -0.405 30 20 DBED CCN1CCN(CC(=O)OCCCSCC#N)C(=O)C1=O 805402071 VIBRZTPISSWNBC-UHFFFAOYSA-N 313.379 -0.133 30 20 DBED C#CC[C@H](NC(=O)[C@@H]1CC(c2cn(C)nc2C)=NO1)C(=O)OC 822415013 CAXOJAWMHBMWKR-AAEUAGOBSA-N 318.333 -0.097 30 20 DBED N#CCCN(CC1CC1)C(=O)Cn1cnc(-c2nn[nH]n2)n1 822806436 MPGBYOWRSNENGK-UHFFFAOYSA-N 301.314 -0.390 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)NCCCn1ccnc1 826603827 NZLMXFDQEWEGTG-UHFFFAOYSA-N 306.366 -0.112 30 20 DBED N#C[C@@H]1CNC[C@H]1NC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 834517416 VEFVJMQVMSHLPU-YRGRVCCFSA-N 313.361 -0.342 30 20 DBED CN(C)S(=O)(=O)c1ccc(Cn2c(=O)[nH]cc(C#N)c2=O)o1 842615258 LZRZWZHOTGCMBU-UHFFFAOYSA-N 324.318 -0.700 30 20 DBED CC#CC[C@@H](CO)NC(=O)C1=CC=CN2CCS(=O)(=O)N=C12 844118031 KGNYOTVMQNOSHD-NSHDSACASA-N 323.374 -0.626 30 20 DBED C=C[C@H](C)ONC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 846551383 SFEDGJRVMPQAAV-QWHCGFSZSA-N 311.382 -0.211 30 20 DBED C#C[C@H](NC(=O)c1cc(S(N)(=O)=O)cnc1C)[C@H]1CCCO1 847758832 ORNBLOXJZXPBKA-QWHCGFSZSA-N 323.374 -0.052 30 20 DBED C#C[C@H](NS(=O)(=O)c1cc(C(=O)OC)no1)[C@@H]1CCCO1 859114245 GPHCLVHQNPZMIS-WPRPVWTQSA-N 314.319 -0.080 30 20 DBED CON=CC(=O)N1[C@H](C)SC[C@@H]1C(=O)NCCC(=O)OC 861984439 QMLMXIDBERNJRR-DTWKUNHWSA-N 317.367 -0.412 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N1CCn2cnnc2C1 875600447 YXQLYKYRNRCBDG-LLVKDONJSA-N 305.338 -0.835 30 20 DBED C=CCC1(O)CCN(C(=O)NCCNS(C)(=O)=O)CC1 884047789 LDNYQNXTAASAFA-UHFFFAOYSA-N 305.400 -0.352 30 20 DBED COC(=O)[C@H]1CSCCN1S(=O)(=O)N(C)CCC#N 885824663 GDXUMSKFKMRIJZ-SECBINFHSA-N 307.397 -0.333 30 20 DBED N#Cc1ccc(NCCNC(=O)[C@@H]2CCS(=O)(=O)C2)nc1 914859586 UXBFQJSLMBJXEK-LLVKDONJSA-N 308.363 -0.084 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)c3cn(C)nn3)C2)cn1 937902283 UYDWLSWTGCZVBT-ZDUSSCGKSA-N 324.344 -0.164 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](NC(=O)c2ccnc3[nH]nnc23)C1 938358012 HECXUSVNTCLBOG-BDAKNGLRSA-N 313.321 -0.157 30 20 DBED C=CCN1CC[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)[C@@H](C)C1 944490947 IPCBNZKHHPXDGQ-WCQYABFASA-N 307.398 -0.097 30 20 DBED C=CCn1cc(C(=O)N2CC[C@@H]2CNC(=O)[C@H]2CCCO2)nn1 948885378 LDUFMLAEGBPAKL-DGCLKSJQSA-N 319.365 -0.026 30 20 DBED C=C[C@@](C)(CC)C(=O)N1CC(N(C)C(=O)[C@H]2CNC(=O)N2)C1 955151097 HITXZUWKMZPCME-ABAIWWIYSA-N 308.382 -0.061 30 20 DBED C=C(Cl)CN1CC(N(CC)C(=O)[C@H]2CCS(=O)(=O)N2)C1 957402263 SFDYSVNAAJHURJ-LLVKDONJSA-N 321.830 -0.037 30 20 DBED C#CCCN1C[C@@H](O)[C@@H](CNC(=O)c2ccnc3ccnn23)C1 958135053 KBKKDVUJJWVOAA-GXTWGEPZSA-N 313.361 -0.225 30 20 DBED C#CCCN1C[C@H](O)[C@H](CNC(=O)c2ccnn2CCOC)C1 958170918 CBJBIQIKIFTHSY-HIFRSBDPSA-N 320.393 -0.425 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cc3n(n2)CCCO3)C1 958254736 ROSHPXKYRGHYMN-WCQYABFASA-N 304.350 -0.679 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cc2nc[nH]n2)C1 958970821 SJSMELNVGIICDR-QWRGUYRKSA-N 321.381 -0.411 30 20 DBED C[C@@H](NC(=O)c1cc(C#N)c[nH]1)[C@H]1CCN(C(=O)C(N)=O)C1 959259062 ZGAQLTLXODOEDO-SCZZXKLOSA-N 303.322 -0.662 30 20 DBED CC#CCN1CCN(S(=O)(=O)C2CN(C(=O)CC)C2)CC1 961054277 DMJNNZHGDPMLPG-UHFFFAOYSA-N 313.423 -0.422 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)C(F)F)C1 961079270 WFLLKUYQHYOOBD-ZNSHCXBVSA-N 318.320 -0.079 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)[C@H]3CC(=O)N(C)C3)C[C@@H]2C1 961733805 VUWKDCQIJAWHOJ-XQHKEYJVSA-N 318.377 -0.459 30 20 DBED C#CCCN1C[C@H]2[C@H](NC(=O)[C@H]3CCc4nnnn4CC3)[C@H]2C1 961851748 YOUOBGXLBIPALV-RMRHIDDWSA-N 314.393 -0.305 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CN(C(=O)[C@@H]3CN(C)C(=O)N3)C[C@H]2C1 962052217 HCNFCUHTYTVQOX-YFKTTZPYSA-N 319.365 -0.914 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H]2CN(C(=O)Cn3cncn3)C[C@H]21 963828521 OLGKZQJLGFQZDV-FRRDWIJNSA-N 316.365 -0.113 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H]2CN(C(=O)c3nnn(C)n3)C[C@H]21 963829385 ZKEKPEHNCYQQNA-GARJFASQSA-N 317.353 -0.567 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)c3ncn(C)n3)[C@@H]2C1 972029262 MZFGZRBZUWTKKF-HBNTYKKESA-N 302.338 -0.352 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@]2(CN(Cc3cn(C)nn3)CCO2)C1 972297969 OSUTXTWSUCRLBZ-SWLSCSKDSA-N 318.381 -0.222 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)[C@H]3CCC(=O)N(C)C3)C2)C1 972687854 KRUHZFGFAVSYQE-WMLDXEAASA-N 319.405 -0.209 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)c3ncn(C)n3)C2)nc1 974092486 MGCWKQQRMNIVHP-TXEJJXNPSA-N 324.344 -0.118 30 20 DBED N#CCN1C[C@H]2C[C@H](NC(=O)CN3C(=O)CNC3=O)CC[C@H]2C1 980249163 XDSXPGUXJRHEDK-QJPTWQEYSA-N 319.365 -0.722 30 20 DBED CN1CCN(CC(=O)N[C@]23CCC[C@H]2N(CC#N)CC3)CC1=O 991473381 OFDZSKAQRJLQPB-CJNGLKHVSA-N 319.409 -0.603 30 20 DBED CN1CC[C@@H](C(=O)NCc2cn([C@@H]3CCN(CC#N)C3)nn2)C1 1000046458 UEVKYBUOOTXEOX-TZMCWYRMSA-N 317.397 -0.384 30 20 DBED CC#CCN1CCC[C@H](NC(=O)C2CC3(C2)NC(=O)NC3=O)C1 1008845389 JMOVQAPVRNGNGZ-BGMSHATGSA-N 318.377 -0.422 30 20 DBED C=CCN1CCC[C@@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)C1 1009639673 ZDQXNMKEJUHUBC-GFCCVEGCSA-N 320.397 -0.254 30 20 DBED C=CCn1cc(C(=O)N[C@H]2C[C@H](N[C@@H]3CCN(C)C3=O)C2)nn1 1020700487 QVALKNDPXFEUTO-IJLUTSLNSA-N 318.381 -0.455 30 20 DBED C[C@H](NC(=O)c1cn(C)c(=O)nc1O)[C@@H]1CCCN(CC#N)C1 1025619235 UXJFAZBETZHSKB-WDEREUQCSA-N 319.365 -0.160 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2CCN([C@H]3CCNC3=O)C2)nn1 1028850941 BOWPOKMRTSKFNW-AAEUAGOBSA-N 318.381 -0.596 30 20 DBED C#CCN1CCO[C@H](CNC(=O)c2c[nH]nc2[C@@H]2CCOC2)C1 1035462274 YAKLRUCHEDTVBC-CHWSQXEVSA-N 318.377 -0.023 30 20 DBED C=CCCN1CC2(CCN(C(=O)CN3CCNC(=O)C3)CC2)C1 1035765369 XMWDULJNWNFAEV-UHFFFAOYSA-N 320.437 -0.081 30 20 DBED C[C@@H]1CN(C(=O)C(N)=O)CC[C@@H]1CNc1ccc(C#N)nn1 1040444126 YAKSQUUXXVDBKN-NXEZZACHSA-N 302.338 -0.270 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)c2cc(C)n(C)n2)C1 1041750329 JSGQRTJKRXAEJV-UHFFFAOYSA-N 306.366 -0.002 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)[C@@H](COC)OC)C1 1041960294 LNCSWEDXVKDMJE-LLVKDONJSA-N 300.355 -0.697 30 20 DBED C=CCOCCCC(=O)NCC1(O)CN(C(=O)c2cocn2)C1 1042307255 PAZGGIFAWQUWLT-UHFFFAOYSA-N 323.349 -0.040 30 20 DBED C=CCN1CC[C@H](N2CC(N(C)C(=O)c3ncc[nH]3)C2)C1=O 1042698490 WOWUTSLXZMUQSO-LBPRGKRZSA-N 303.366 -0.047 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)[C@H]2CC2(F)F)C1 1042936700 NDRRCJIPKZGYJZ-SNVBAGLBSA-N 300.305 -0.010 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)C2CC(OC)C2)C1 1043040985 DJRLKCKQTSMABD-HIFPTAJRSA-N 324.377 -0.861 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)CCCN2CCCC2)C1 1043418739 BHNSWGIDBHQOES-CYBMUJFWSA-N 322.409 -0.288 30 20 DBED N#CCSCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@@H]3C[C@@H]3C2)C1 1045082651 MCWMHEQTVQGFQH-GDNZZTSVSA-N 323.418 -0.021 30 20 DBED Cc1ncc(C(=O)N2CC(O)(CNC(=O)[C@H](C)C#N)C2)n1C 1045563995 ANOHDAAGAJGROS-SECBINFHSA-N 305.338 -0.809 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cnc(C3CC3)nc2O)C1 1047554533 AQKLAKUHSAAVIK-STQMWFEESA-N 316.361 -0.190 30 20 DBED COCC(C)(C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)C#N)C1 1049402522 UBEJVCTXIWJROO-SRVKXCTJSA-N 311.382 -0.151 30 20 DBED CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1nnc(O)nc1O 1049573854 XFOAFOLKSXELBA-WDEREUQCSA-N 317.349 -0.015 30 20 DBED CC(=O)N1CCO[C@@H](C(=O)N2CCC[C@H]3CN(CC#N)C[C@H]32)C1 1050192408 JUXODBCCVZXEDS-RRFJBIMHSA-N 320.393 -0.320 30 20 DBED C=CCOCC(=O)N1CC[C@H]([C@H](C)NC(=O)C2(C(N)=O)CC2)C1 1050297217 LWCNYELYMUFGID-RYUDHWBXSA-N 323.393 -0.192 30 20 DBED C#CCCN1CCOC[C@@H]1CNC(=O)[C@@H]1CC(=O)N(CC)C1 1050945006 HQTLOYBYCKUALH-KGLIPLIRSA-N 307.394 -0.305 30 20 DBED Cc1nc(O)c(C(=O)NC[C@@H]2COCCN2CC#N)nc1C 1050978113 JWQZDYILIBHKDU-LLVKDONJSA-N 305.338 -0.247 30 20 DBED CC#CCN1CCOC[C@H]1CNC(=O)[C@@H]1CN(C(C)C)CCO1 1051082208 VSQBKWACIXERID-CVEARBPZSA-N 323.437 -0.064 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@H]([C@@H](C)NC(=O)C(N)=O)C2)nc1 1051301361 ACAAVMHBWVSMHJ-PWSUYJOCSA-N 314.345 -0.485 30 20 DBED C=CCn1cccc1C(=O)N1C[C@@H](C)[C@@H](CNC(=O)C(N)=O)C1 1052814099 LDYGDIKVUPDQLY-NEPJUHHUSA-N 318.377 -0.016 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)c3cc(C(N)=O)c[nH]3)CO2)C1 1053967400 WESYLHZETHHFMJ-LBPRGKRZSA-N 316.361 -0.290 30 20 DBED N#Cc1cncc(N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)Cc2nc[nH]n2)n1 1055385599 QSPLQRGYAJASQM-UTUOFQBUSA-N 324.348 -0.065 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)[C@@H]1CC(=O)N(C)C1 1057174235 WFTDOLDWXVXPPD-GFCCVEGCSA-N 311.382 -0.632 30 20 DBED C=C(C)CCC(=O)N(CCO)CCNC(=O)[C@@H]1CCNC1=O 1057807933 WPNJPPOKKSQNAC-GFCCVEGCSA-N 311.382 -0.584 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)[C@H](F)C(F)(F)F 1057830929 XQECLPQDSQPXOF-SFYZADRCSA-N 313.251 -0.016 30 20 DBED N#Cc1cncc(N2CCC(NC(=O)[C@@H]3COCCO3)CC2)n1 1057840755 RDQFULRXIBEFTJ-ZDUSSCGKSA-N 317.349 -0.151 30 20 DBED C=CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)c1cnco1 1057922572 ACBGYMZWQNITLH-NSHDSACASA-N 311.338 -0.184 30 20 DBED N#Cc1cnc(N2CC[C@H](NC(=O)Cn3cnnn3)C2)c(F)c1 1058308415 PWBNHWBWBZMHTR-JTQLQIEISA-N 316.300 -0.526 30 20 DBED CN1CCOC[C@H]1C(=O)N[C@H]1C[C@@H](Nc2cnc(C#N)cn2)C1 1059598079 RWWNHHFRHKMBFR-LOWVWBTDSA-N 316.365 -0.262 30 20 DBED N#Cc1nc(=NC[C@@H]2CCN(C(=O)[C@H]3COCCO3)C2)cc[nH]1 1060821156 SEYBSVMWQXDZBN-NWDGAFQWSA-N 317.349 -0.554 30 20 DBED C=CCOCC(=O)N1CCOC[C@@H]1CNC(=O)C[C@@H](C)OC 1061405469 CTGKUHPOSTULSW-OLZOCXBDSA-N 314.382 -0.042 30 20 DBED N#Cc1cncc(N2CCO[C@@H](CNC(=O)c3cn[nH]c3)C2)n1 1063609507 LLLOARNEXPOVRJ-LBPRGKRZSA-N 313.321 -0.293 30 20 DBED C=CCCC(=O)N1CCO[C@H](CNC(=O)[C@H]2CCNC2=O)C1 1064959133 HGFBAWPCZNNHAH-NEPJUHHUSA-N 309.366 -0.568 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCO[C@@H](CNC(=O)c2cc[nH]n2)C1 1065277668 AJCQYAHOUSKOER-RYUDHWBXSA-N 322.365 -0.042 30 20 DBED Cc1nc[nH]c1CC(=O)N1CCO[C@@H](CNC(=O)[C@@H](C)C#N)C1 1065411462 UBAFOVYMNAGHQA-JQWIXIFHSA-N 319.365 -0.236 30 20 DBED N#Cc1cncc(N2CC[C@]3(CCCN(C(=O)C(N)=O)C3)C2)n1 1066869550 CJNCRJGHZLVUEC-OAHLLOKOSA-N 314.349 -0.348 30 20 DBED CN(CCCN(C)C(=O)C1(NC(N)=O)CC1)C(=O)C#CC1CC1 1067231440 QYICUZAUTZQTAW-UHFFFAOYSA-N 320.393 -0.092 30 20 DBED CNC(=O)CC(=O)N1CC2(CC[C@H](CNC(=O)[C@H](C)C#N)O2)C1 1068619996 FTACQTQJEJBLLT-GHMZBOCLSA-N 322.365 -0.842 30 20 DBED C=CCCC(=O)N1CC2(C[C@@H](NC(=O)C(C)(C)C(N)=O)CO2)C1 1068904938 DFUOSXFRZRDNRL-LLVKDONJSA-N 323.393 -0.050 30 20 DBED C[C@@H]1C[C@@H](N=c2cc[nH]c(C#N)n2)CN1C(=O)c1cnnn1C 1069084829 JWDOYROLIWREPV-NXEZZACHSA-N 312.337 -0.386 30 20 DBED CC1(C)CN(C(=O)CC(N)=O)C[C@H]1Nc1ccc(C#N)nn1 1069548572 WZKXKOXOPODPID-SNVBAGLBSA-N 302.338 -0.127 30 20 DBED CC(C)[C@@H](O)C(=O)NCC1(NC(=O)[C@H](C)C#N)CCOCC1 1070232598 MSOGXKKJXNJJNC-VXGBXAGGSA-N 311.382 -0.055 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)C[C@H]2COC(=O)C2)CC1 1070956013 GFVCOUIDEHFWRW-CYBMUJFWSA-N 321.377 -0.777 30 20 DBED C[C@@H](C#N)C(=O)NC1(C)CCN(C(=O)CCn2cnnn2)CC1 1073214515 KNTOCMNFXWOEFM-NSHDSACASA-N 319.369 -0.280 30 20 DBED C=CCCCC(=O)N1CCN(C2CN(C(=O)CC(N)=O)C2)CC1 1073596553 YMQAJIWQCVFDRI-UHFFFAOYSA-N 322.409 -0.427 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)[C@@H]2CCCN2CC#C)C1 1073642800 UQTUVBNVYUMKJN-HOTGVXAUSA-N 303.406 -0.076 30 20 DBED C=CCCn1cc(C(=O)NC[C@H]2CN(CCO)CCCO2)nn1 1073812717 BMAVEOJWTCGHFY-ZDUSSCGKSA-N 323.397 -0.333 30 20 DBED N#CCN1CCO[C@@H]2CCN(C(=O)Cc3cncnc3)C[C@@H]21 1074226229 MFNQQMSFZAOKAV-UONOGXRCSA-N 301.350 -0.156 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCN(C(=O)CC(=O)NC)[C@@H](C)C1 1074990935 NIJWJAJOZPGXQB-QWHCGFSZSA-N 323.393 -0.342 30 20 DBED C=CCN1C[C@@H]2CCN(C(=O)CN3CCCS3(=O)=O)[C@@H]2C1 1075858789 CQNNAEACAIWZAQ-QWHCGFSZSA-N 313.423 -0.259 30 20 DBED C#CCCCC(=O)NCC[C@H](C)NC(=O)CN1C(=O)CNC1=O 1076296814 VTLQMAWRGNIRRN-NSHDSACASA-N 322.365 -0.647 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)Cn2ncc3cccnc32)C1 1077409597 ANTZWXLWCDEFTP-ZIAGYGMSSA-N 313.361 -0.384 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2ccccc2-n2cnnn2)C1 1078163577 VQCKHSBXSJVZCC-TZMCWYRMSA-N 312.333 -0.930 30 20 DBED CC(C)C#CC(=O)N1CCOC2(CCN(C(=O)C(N)=O)CC2)C1 1079141251 VGNTZFBIWDEURP-UHFFFAOYSA-N 321.377 -0.649 30 20 DBED CCN(C(=O)CCS(C)(=O)=O)C1CN(C(=O)[C@@H](C)C#N)C1 1080055827 PKSAVUFKUTTYLF-JTQLQIEISA-N 315.395 -0.360 30 20 DBED CO[C@@H](C)C(=O)NC1(CO)CCN(C(=O)C#CC2CC2)CC1 1080751219 GFVSIWRSKQWCER-LBPRGKRZSA-N 308.378 -0.096 30 20 DBED Cc1c[nH]nc1C(=O)N1CCC(CO)(NC(=O)[C@@H](C)C#N)CC1 1080980639 ZOTVTLSEFJPWLA-JTQLQIEISA-N 319.365 -0.039 30 20 DBED N#CCSCC(=O)NC[C@@H]1CN(C(=O)c2ncc[nH]2)C[C@@H]1O 1081285720 BTFYNMQKJFIYJC-ZJUUUORDSA-N 323.378 -0.784 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2c[nH]nc2C)C[C@@H]1O 1081340441 CNOOVXSCTAKPEC-YPMHNXCESA-N 322.365 -0.530 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)c2ccnnc2)C[C@@H]1O 1081445484 WLDGDBMUXVAKEN-KGLIPLIRSA-N 316.361 -0.171 30 20 DBED Cc1c[nH]nc1C(=O)NC[C@H]1CN(C(=O)C#CC(C)C)C[C@@H]1O 1081466202 PWUAWWYXRSENKK-STQMWFEESA-N 318.377 -0.073 30 20 DBED CC(C)N(C)CC(=O)N1C[C@H](CNC(=O)C#CC2CC2)[C@@H](O)C1 1081474263 OYEVDBMBVQJVIY-GJZGRUSLSA-N 321.421 -0.325 30 20 DBED C#CCOCCC(=O)NC[C@H]1CN(C(=O)CCCF)C[C@@H]1O 1081489516 VYWBBNMEKIRZCR-STQMWFEESA-N 314.357 -0.289 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1cnc2[nH]ncc2c1 1081838841 ZUCNILDCFLGZOS-VXGBXAGGSA-N 300.322 -0.090 30 20 DBED C=CCOCC(=O)N1CCCC[C@H]1CNC(=O)Cn1nccn1 1081958200 ZYOSRSQLOJWRCB-ZDUSSCGKSA-N 321.381 -0.022 30 20 DBED C=C(Cl)CN1C[C@@H](NC(=O)[C@H]2CN(C)C(=O)N2)[C@H](OC)C1 1082023570 NZYZHZJMQIPHPK-GMTAPVOTSA-N 316.789 -0.422 30 20 DBED C#CCN1C[C@@H](NC(=O)c2c(OC)ncnc2OC)[C@H](OC)C1 1082396981 ZSXGLXYGKCCUIL-GHMZBOCLSA-N 320.349 -0.444 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CCC(=O)NC1 1083127410 NVDBLKGNLRXIRG-MELADBBJSA-N 305.378 -0.553 30 20 DBED C=CCN1CC[C@@H](N2C[C@H](O)[C@H](NC(=O)c3ccon3)C2)C1=O 1083356140 FDDFTWCNESLCSV-UPJWGTAASA-N 320.349 -0.764 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2c(O)nnc(CC)c2CC)C1 1083500742 HKQQWOFBIDMHLG-OLZOCXBDSA-N 318.377 -0.285 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCc3ncncc3C2)C1 1083516920 CQGXRRDGUKQDHW-GDLCADMTSA-N 301.350 -0.734 30 20 DBED COc1cccn2ncc(C(=O)N[C@@H]3CN(CC#N)C[C@@H]3O)c12 1083867514 ROZXDVNPCNACIB-NEPJUHHUSA-N 315.333 -0.359 30 20 DBED Cc1cc2[nH]c(=O)c(C(=O)NC[C@H]3C[C@@H](NCC#N)C3)cn2n1 1086225991 UPFRHQYNFGSQMF-PHIMTYICSA-N 314.349 -0.047 30 20 DBED Cn1cnn(CC(=O)N2CCCCC[C@@H](NCC#N)C2)c1=O 1088339075 WDCFEURHBIDZSN-GFCCVEGCSA-N 306.370 -0.534 30 20 DBED COCC(=O)N[C@@H]1CN(c2snc(Cl)c2C#N)C[C@@H]1O 1091062203 CSCSTGSJYIZSQA-SFYZADRCSA-N 316.770 -0.020 30 20 DBED N#Cc1nccc(N2C[C@H](O)[C@H](NC(=O)CC3(O)CCC3)C2)n1 1091097438 HUIWZLUHCBXBCT-MNOVXSKESA-N 317.349 -0.681 30 20 DBED CCC(=O)NCC(=O)NC[C@H]1C[C@@H](N=c2cc[nH]c(C#N)n2)C1 1091330842 UIGIHOYLIJMOSY-PHIMTYICSA-N 316.365 -0.397 30 20 DBED C#CCOCCC(=O)N[C@H]1CCN(c2nc(C)ns2)C[C@@H]1O 1092160979 BMTYBNHHJYEHDU-RYUDHWBXSA-N 324.406 -0.058 30 20 DBED CC(=O)N[C@H](C)C(=O)N1CCN(c2cncc(C#N)n2)CC1 1093131167 UYXRKXFTLCVHCF-SNVBAGLBSA-N 302.338 -0.479 30 20 DBED C#CCN1CC(OC2CCN(C(=O)Cn3cncn3)CC2)C1 1093595475 GFTXFWGRCMCMKV-UHFFFAOYSA-N 303.366 -0.397 30 20 DBED Cn1ccnc1COCC(=O)NCCNc1cncc(C#N)n1 1093961431 YWCCQXXGOMQCIT-UHFFFAOYSA-N 315.337 -0.173 30 20 DBED N#Cc1cc(C(=O)NCc2cn(C3CN(CCO)C3)nn2)c[nH]1 1094285207 DMOOKUAWTLMFQH-UHFFFAOYSA-N 315.337 -0.743 30 20 DBED Cc1n[nH]cc1C(=O)N1CCN(CC#N)[C@H]2CS(=O)(=O)C[C@H]21 1094651294 MSNZCEYADAINQF-NWDGAFQWSA-N 323.378 -0.835 30 20 DBED CC#CCN1CC(N2C[C@@H](NC(=O)[C@H]3OCC[C@H]3C)CC2=O)C1 1094787339 STIXMJXKFUCRTO-WWGRRREGSA-N 319.405 -0.164 30 20 DBED CS(=O)(=O)CC(=O)N[C@H]1CCN(c2ccncc2C#N)C1 1096342925 LTNUUGNQCFDJOP-NSHDSACASA-N 308.363 -0.307 30 20 DBED N#Cc1cncc(N2CC[C@H](NC(=O)CO[C@@H]3CCOC3)C2)n1 1096439080 CAYGEBSYCZXOII-WCQYABFASA-N 317.349 -0.151 30 20 DBED N#Cc1ccc(N[C@@H](CNC(=O)[C@H]2CCNC2=O)C2CC2)nn1 1096782594 FAOLCVRLUHGVQL-RYUDHWBXSA-N 314.349 -0.209 30 20 DBED CC(=O)N1CC(C(=O)NC[C@@H](C)Nc2nccnc2C#N)C1 1097780152 SZNIVISIBMVXRY-SECBINFHSA-N 302.338 -0.257 30 20 DBED C#CCNCc1cn([C@H]2CCN(C(=O)Cc3cnc[nH]3)C2)nn1 1098739744 JKXPKTYGTXSKLX-AWEZNQCLSA-N 313.365 -0.260 30 20 DBED C[C@@H](CCNC(=O)Cn1cnnc1O)Nc1cncc(C#N)n1 1098989164 JNXMUQRNIZIQEP-VIFPVBQESA-N 316.325 -0.348 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)C2CCOCC2)[C@@H](O)C1 1099609516 AYMOBDCGGLIMEL-CABCVRRESA-N 310.394 -0.386 30 20 DBED Cc1ccoc1C(=O)N[C@H]1CCN(CC(=O)NCC#N)C[C@H]1O 1099662718 CNNRXPDRUCPEJQ-NWDGAFQWSA-N 320.349 -0.607 30 20 DBED N#CCNC(=O)CN1CC[C@@H](NC(=O)C=C2CCC2)[C@@H](O)C1 1099764163 RAPQEWQSTUEZKH-OLZOCXBDSA-N 306.366 -0.712 30 20 DBED C#CCCCC(=O)N[C@H]1CCN(Cc2cnn(C)n2)C[C@H]1O 1099805070 WOJQGXAOKJIWCM-UONOGXRCSA-N 305.382 -0.330 30 20 DBED C#CCCCC(=O)N[C@H]1CCN(Cc2nnn(C)n2)C[C@H]1O 1099806787 GQEAYGOCCFXQKI-NWDGAFQWSA-N 306.370 -0.935 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2c(C)cnn2C)[C@@H](O)C1 1099946932 NPWZJMQIHFRHAN-KGLIPLIRSA-N 320.393 -0.457 30 20 DBED C=CCCOCC(=O)N[C@@H]1CCN(CC#CCOC)C[C@@H]1O 1100138465 IZRUOHQRQYRAIX-CABCVRRESA-N 310.394 -0.220 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)Cc2cc[nH]n2)C1 1100214655 YTUSODJVIWPRLM-UHFFFAOYSA-N 303.366 -0.814 30 20 DBED C#CCO[C@H](C)C(=O)NCC1CC(NCc2cnn(C)n2)C1 1100322482 KDIXAMARRUTJSB-PNESKVBLSA-N 305.382 -0.162 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1CC(NCC(=O)NCC=C)C1 1100322685 QZDZEEXQKHWSEB-HSBZDZAISA-N 307.394 -0.189 30 20 DBED CS(=O)(=O)CC(=O)NC[C@@H]1CCCN1c1cnc(C#N)cn1 1100800724 KEXLZECZKPUWED-NSHDSACASA-N 323.378 -0.522 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)c2ccc(O)nc2)C1 1100936514 PHCHTCWZZDIUJC-UHFFFAOYSA-N 316.361 -0.365 30 20 DBED N#Cc1nccc(N(CCNC(=O)CNC(N)=O)C2CC2)n1 1101280517 XMEUBNAHTCIJHA-UHFFFAOYSA-N 303.326 -0.898 30 20 DBED COCC(=O)N[C@H](C)C(=O)N(C)CCNc1ccc(C#N)nn1 1102008275 KXSDUXFGULFNKT-SNVBAGLBSA-N 320.353 -0.630 30 20 DBED COc1cnc(C(=O)N(C)CCN=c2cc[nH]c(C#N)n2)nc1 1102043099 KTZWMSGBGRTEQQ-UHFFFAOYSA-N 313.321 -0.247 30 20 DBED CC(=O)N(C)CC(=O)N(C)[C@H]1CCN(c2nccnc2C#N)C1 1102671309 JSTHEOCXXJANBS-LBPRGKRZSA-N 316.365 -0.136 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)c1cc[n+]([O-])cc1 1103848107 LNGRYRPOIBKOCM-NSHDSACASA-N 312.333 -0.118 30 20 DBED C[C@H](CNc1nccnc1C#N)N(C)C(=O)[C@H]1COCCN1C 1104527107 LDASWCWBCPQGNG-DGCLKSJQSA-N 318.381 -0.062 30 20 DBED CC(C)C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)CC(N)=O 1104919045 RONXHPJZEUEUMH-SNVBAGLBSA-N 304.354 -0.412 30 20 DBED COCC#CCNCc1cn(C2CN(C(=O)[C@@H](C)OC)C2)nn1 1105176684 UQYKZMRLBIYIAB-GFCCVEGCSA-N 321.381 -0.564 30 20 DBED N#Cc1ccc(C(=O)N2CC(n3cc(CNCCO)nn3)C2)[nH]1 1105216159 PIIABEUJZGXNSN-UHFFFAOYSA-N 315.337 -0.743 30 20 DBED N#Cc1cncc(NC[C@H](O)CNC(=O)C2=CCOCC2)n1 1105798918 OVEJXHASNKAALR-LBPRGKRZSA-N 303.322 -0.416 30 20 DBED Cc1nnc(CC(=O)NC[C@H](O)CNc2cncc(C#N)n2)o1 1105814945 AYNXRDUQFGODDG-SNVBAGLBSA-N 317.309 -0.829 30 20 DBED CN1CC[C@H](C(=O)NC[C@@H](O)CNc2ncccc2C#N)C1 1105853365 MRXWIMIONSZOCB-STQMWFEESA-N 303.366 -0.206 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H](O)CNc1ccc(C#N)nc1 1105970387 GROOLAGPVGUPMP-SMDDNHRTSA-N 302.334 -0.119 30 20 DBED CNC(=O)NCCC(=O)N[C@H](C)CCNc1cnc(C#N)cn1 1106317338 XTEKYHVFDYBBJN-SNVBAGLBSA-N 319.369 -0.026 30 20 DBED C[C@@H](CCNc1cncc(C#N)n1)NC(=O)[C@@H]1CCC(=O)N1 1106393533 RIMBVWLBAPTFDR-ONGXEEELSA-N 302.338 -0.066 30 20 DBED C#CCNC(=O)CC(=O)NC/C=C/CNc1nccnc1F 1107130339 KYSIRQCTJYGTSH-ONEGZZNKSA-N 305.313 -0.161 30 20 DBED COCC#CCN1CC(n2cc(CNC(=O)[C@H](C)C#N)nn2)C1 1107149361 COCVQPDSEJKUKO-GFCCVEGCSA-N 316.365 -0.440 30 20 DBED CNC(=O)NCCC(=O)NC/C=C\CNc1nccnc1C#N 1107151010 DBTQCZDGEZHJFL-IHWYPQMZSA-N 317.353 -0.248 30 20 DBED CN1CC[C@H](C(=O)NC/C=C/CNc2nccnc2C#N)C1=O 1107460583 XMWOCMJEEUTWSV-KXMPLOMGSA-N 314.349 -0.089 30 20 DBED C[C@@H](C(=O)NC/C=C\CNc1ccc(C#N)nn1)S(C)(=O)=O 1107576796 QKIVCTXEVPZUAH-XOULXFPDSA-N 323.378 -0.134 30 20 DBED COCC#CCN1CCO[C@@](C)(CNC(=O)c2cn(C)nn2)C1 1107918111 DXVPWMUAYYFNOO-HNNXBMFYSA-N 321.381 -0.714 30 20 DBED C[C@H](CNc1cnc(C#N)cn1)NC(=O)[C@H]1CCCNC1=O 1107989974 JJRWJXMJJFHATM-KOLCDFICSA-N 302.338 -0.209 30 20 DBED C[C@H](CN=c1cc[nH]cc1C#N)NC(=O)CCS(C)(=O)=O 1108198397 SNBDRBMBFUQYBP-SNVBAGLBSA-N 310.379 -0.274 30 20 DBED COCC#CCN1CCO[C@@](C)(CNC(=O)c2cccnn2)C1 1108298727 YRLKORKVJDMCGK-INIZCTEOSA-N 318.377 -0.053 30 20 DBED CC(=O)N(C)CC(=O)N[C@@H](C)CN(C)c1ccc(C#N)nn1 1108827030 DVDNHZMPSZCMCP-JTQLQIEISA-N 304.354 -0.233 30 20 DBED COC(=O)NCC(=O)N[C@H](C)CN(C)c1ccc(C#N)nn1 1108832269 PJFDGYFFFBHUTJ-SECBINFHSA-N 306.326 -0.355 30 20 DBED C[C@H](NC(N)=O)C(=O)N[C@H](C)CN(C)c1ccc(C#N)nc1 1108914986 BAOZRBOBQKBZTF-ZJUUUORDSA-N 304.354 -0.049 30 20 DBED C[C@@H](CN(C)c1cnc(C#N)cn1)NC(=O)C(=O)NCC1CC1 1109060734 LMLBONQILMUQDZ-JTQLQIEISA-N 316.365 -0.185 30 20 DBED C[C@H](CN(C)c1cncc(C#N)n1)NC(=O)[C@H]1CCN(C)C1=O 1109182594 BXPKUPYAJOVEEB-ZYHUDNBSSA-N 316.365 -0.233 30 20 DBED CNC(=O)CC(=O)N[C@@]1(C)CCN(c2nc(C)cc(C#N)n2)C1 1110745192 FBNQOPBRPMBXEN-HNNXBMFYSA-N 316.365 -0.122 30 20 DBED N#Cc1ccc(NCCN(CCO)C(=O)Cn2cccn2)nn1 1111418268 FZUJXGMSEXFOPT-UHFFFAOYSA-N 315.337 -0.522 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 1112774172 JVZLSSRQWMQTDV-LBPRGKRZSA-N 313.361 -0.218 30 20 DBED C[C@H](NC(=O)CS(C)(=O)=O)[C@@H](C)N=c1cc[nH]c(C#N)n1 1112926957 WMAQRSCMQMIHMW-BDAKNGLRSA-N 311.367 -0.880 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)Cc2ncc[nH]2)CC1 1113455582 OYISZOIAIMJFOH-LBPRGKRZSA-N 303.366 -0.766 30 20 DBED Cc1nc(CC(=O)NC[C@H](C)N(C)c2ccc(C#N)nn2)n[nH]1 1113586180 VONGNIOKRLQLRR-VIFPVBQESA-N 314.353 -0.042 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCC(=O)NC1)N(C)c1cnc(C#N)cn1 1113961617 RTYZAIXIQZLTAF-QWRGUYRKSA-N 316.365 -0.185 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@H]2CN(Cc3ccccn3)C[C@H]12 1114157647 JFFHKEZRNBUICY-KBPBESRZSA-N 312.373 -0.233 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3cc(C)co3)[C@H]2C1 1114710915 MUCZUOXINTYQHF-JYAVWHMHSA-N 301.346 -0.003 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)[C@@]3(C)CCC(=O)NC3)[C@H]2C1 1114721307 MUMHWAQJGVTXEF-SHFYGJNESA-N 319.405 -0.401 30 20 DBED C#Cc1cncc(C(=O)NC2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]23)c1 1114805822 KNVCNJMABHXSLX-ZIAGYGMSSA-N 323.356 -0.637 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)[C@@H]3CC34CCC4)[C@@H]2C1 1114888989 RREYFMHHNAETMV-UPJWGTAASA-N 301.390 -0.028 30 20 DBED C[C@H](CCCNc1cnc(C#N)cn1)NC(=O)c1nnn(C)n1 1115052743 RMUZCPYTNZEYMF-SECBINFHSA-N 315.341 -0.118 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)C(C)(C)CCOC)[C@@H]2C1 1115056335 YZAAPHDDVWXBIT-CHWSQXEVSA-N 321.421 -0.155 30 20 DBED C=CCOC[C@@H](NC(=O)C[C@@H]1C=CS(=O)(=O)C1)C(=O)OC 1116895196 ZKPBCESSPXVQAY-WDEREUQCSA-N 317.363 -0.205 30 20 DBED CS(=O)(=O)CCN(C(=O)C(=O)NCCCCC#N)C1CC1 1117306933 XUHFIBGXOINJLB-UHFFFAOYSA-N 315.395 -0.168 30 20 DBED N#CCNC(=O)CNC(=O)c1cc(N2CCNC2=O)ccc1F 1117460556 YXAJOCJPOGQMIZ-UHFFFAOYSA-N 319.296 -0.275 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCn3ccnc3C2)CCO1 1117556340 IMUCGWYFFBAPGX-WDEREUQCSA-N 303.322 -0.935 30 20 DBED N#CCSCC(=O)NC[C@H](CO)Nc1ccc(C#N)nn1 1121079168 OVOVUQFIUBBWNV-SNVBAGLBSA-N 306.351 -0.506 30 20 DBED C[C@@H](C(=O)NC[C@@H](CO)Nc1ncccc1C#N)n1cncn1 1121345894 HPGNUNHAVAIZRB-JQWIXIFHSA-N 315.337 -0.305 30 20 DBED CNC(=O)CCCC(=O)NC[C@@H](CO)Nc1nccnc1C#N 1121464744 NRTINVVMZZTOOR-JTQLQIEISA-N 320.353 -0.846 30 20 DBED Cn1ccc(CC(=O)NC[C@H](CO)Nc2ccc(C#N)cn2)n1 1121480596 MDQWVEDUKSCWMX-CYBMUJFWSA-N 314.349 -0.182 30 20 DBED CC(C)[C@@H](C(=O)NC[C@@H](CO)N=c1cc[nH]cc1C#N)N(C)C 1121841164 YJLLCSIFWWBREN-ZFWWWQNUSA-N 319.409 -0.150 30 20 DBED Cc1nc(N[C@@H](CO)CNC(=O)Cn2nccn2)ccc1C#N 1122098539 UTCGGGAHXGGNLV-GFCCVEGCSA-N 315.337 -0.558 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)[C@@]23COC[C@@H]2C3)nc1 1122762502 ZPNJIKAWJBQLJX-HUBLWGQQSA-N 302.334 -0.121 30 20 DBED C[C@@H]1OCCO[C@@H]1C(=O)NC[C@H](CO)N=c1cc[nH]cc1C#N 1122776622 YIVAWYVOAPRUFI-SUHUHFCYSA-N 320.349 -0.932 30 20 DBED CN(C[C@H](O)CNc1cncc(C#N)n1)C(=O)C1=CCOCC1 1124257137 QIBJBZKEUGGIMQ-CYBMUJFWSA-N 317.349 -0.074 30 20 DBED CN(C[C@@H](O)CNc1nccnc1C#N)C(=O)c1cnnn1C 1124273195 ZLGFGCIQIDUCQY-VIFPVBQESA-N 316.325 -0.978 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)CN1CCCC1 1124352026 JNONWVMFKQHBSJ-GFCCVEGCSA-N 318.381 -0.903 30 20 DBED COCCN(CCNC(=O)[C@H](O)C(C)C)c1ccnc(C#N)n1 1126315693 WUJDTJINHOZTKX-CQSZACIVSA-N 321.381 -0.066 30 20 DBED C[C@@H](C#N)C(=O)NCC1=CCN(c2ccc3nnnn3n2)CC1 1127587017 FCJAMGCWTWEGMW-JTQLQIEISA-N 312.337 -0.068 30 20 DBED C#CCNCc1nnc2n1CC[C@@H](NC(=O)c1cc[nH]n1)CC2 1127944820 XKVPPQFDUGONEX-NSHDSACASA-N 313.365 -0.141 30 20 DBED CC(C)C(=O)NCc1cnn2c1CN(CC(=O)NCC#N)CC2 1128214342 SCDIIWJUUKDQPA-UHFFFAOYSA-N 318.381 -0.389 30 20 DBED C=CCn1cccc1C(=O)NCCN[C@@H](C)C(=O)NC(N)=O 1129517093 CXZLKAXTSQAIIF-JTQLQIEISA-N 307.354 -0.423 30 20 DBED CC#CCN[C@@H]1CN(C(=O)[C@H]2CCCO2)C[C@@H]1n1ccnn1 1129552877 HDCAQCLSDXEOIP-HZSPNIEDSA-N 303.366 -0.178 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2csnn2)CC[C@H]1C 1132206883 OXYSJYHARPWLMN-MNOVXSKESA-N 321.406 -0.130 30 20 DBED COCC#CCN1CCC2(C1)CN(C(=O)c1cn(C)nn1)C2 1147474754 CUYRMCOJKPYTIX-UHFFFAOYSA-N 303.366 -0.387 30 20 DBED C=CCNC(=O)CN1CCCO[C@H](CNC(=O)CSC)C1 1149103488 FNIAZHZRADYMHZ-GFCCVEGCSA-N 315.439 -0.141 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)c1ccc2nn[nH]c2c1 1150710861 LGDPESBYTQOOOB-JTQLQIEISA-N 316.365 -0.032 30 20 DBED CNC(=O)CN1CCC(CCOC)(NC(=O)[C@H](C)C#N)CC1 1151021495 VMRZLESSLZYOBR-GFCCVEGCSA-N 310.398 -0.121 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1c(C)cc(O)nc1C 1151806778 LRINQPDRODIAIU-LBPRGKRZSA-N 318.377 -0.139 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@@]1(CC)CCNC1=O 1160290754 LDMZGRDUBCUBOL-OAHLLOKOSA-N 310.398 -0.699 30 20 DBED CC#CCNCC1(CCNC(=O)CNC(=O)CNC(C)=O)CC1 1165795940 HWRYGRMZOGTADV-UHFFFAOYSA-N 322.409 -0.862 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)CCNC(=O)COC)C[C@@H]21 1177029646 HSDHWXYNNZVISQ-KBPBESRZSA-N 323.393 -0.926 30 20 DBED C[C@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)c1ccc(O)nc1 1180066259 DZDKFKQMVUIBFW-JQWIXIFHSA-N 317.349 -0.380 30 20 DBED N#CCNCCCCCCNC(=O)[C@@H]1CCS(=O)(=O)N1 1180289996 UTGAEPLPWBTOIJ-NSHDSACASA-N 302.400 -0.532 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2n[nH]c(C)c2O)C1 1182042796 WILMVPYVXJBOTR-GHMZBOCLSA-N 321.381 -0.081 30 20 DBED Cc1c(C(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)ccn1C 1185493264 FSLOGGJLYOEUOP-GFCCVEGCSA-N 303.366 -0.223 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](N(C)Cc2nncs2)C1 1189769121 GKDKUDGQAHTNJE-NSHDSACASA-N 321.406 -0.290 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)[C@H]2CCCC(=O)N2)C1 1190819669 ZSOJLYFKGJEXCN-CHWSQXEVSA-N 322.409 -0.510 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)CCCCC)C1 1191063374 ZGWAKPORQIWIOS-BFHYXJOUSA-N 309.410 -0.134 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CN(Cc2nnc(C3CC3)o2)C[C@H]1O 1191854967 SXFRRZMMBPBUSW-JMJZKYOTSA-N 305.338 -0.232 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)n2cccc2)C1 1192258304 SSEVYPMOJYKLMD-MGPQQGTHSA-N 320.393 -0.487 30 20 DBED CN1CC[C@H](N2C[C@@H](O)[C@H](NC(=O)C#CC(C)(C)C)C2)C1=O 1192814131 WUZAOMXWIOKMGK-FRRDWIJNSA-N 307.394 -0.572 30 20 DBED C=CC(C)(C)CC(=O)N[C@@H]1CN(CC(=O)N2CCC2)C[C@H]1O 1193320359 SGGOLRWTJCITCM-CHWSQXEVSA-N 309.410 -0.018 30 20 DBED C=CCOCCN(C)[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 1193896503 GFPBBGXITSCRBP-GFCCVEGCSA-N 324.381 -0.727 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)C2(C)CCCC2)C1 1195081574 UNAVPIUXZQRKMH-BFHYXJOUSA-N 321.421 -0.134 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)C(C)(C)C(=C)C)C1 1195278450 VAFYXOQSKZQZFM-MGPQQGTHSA-N 321.421 -0.112 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2oncc2C)C1 1197466759 JVZKAUYYZZOOMS-GHMZBOCLSA-N 308.338 -0.940 30 20 DBED N#CCNC(=O)CNC[C@H]1CN(C(=O)c2ccco2)CCCO1 1199697400 HZWRVNLYWICGRN-LBPRGKRZSA-N 320.349 -0.260 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)C2(CN(C)C)CC2)CC1 1202225387 VXVKHOSQSDUSJG-UHFFFAOYSA-N 320.437 -0.342 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(CC(=O)NC(C)C)C[C@H]1C 1206963748 NGHDAVJFGSANTL-HZSPNIEDSA-N 309.410 -0.014 30 20 DBED COCC#CCN1C[C@@H](NC(=O)C[C@@H]2CCN(C)C2=O)[C@H](C)C1 1207659097 HWMMOBCUMQYQSO-QLFBSQMISA-N 321.421 -0.059 30 20 DBED C#CCCCC(=O)N1CCC[C@@H](NCCNS(C)(=O)=O)C1 1207934388 DAOANUDNIJEEIJ-CYBMUJFWSA-N 315.439 -0.080 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)c2cccnn2)C1 1210253018 FZNPGBKTSMSOFV-GFCCVEGCSA-N 301.350 -0.580 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)Cn2cncn2)C1 1210974694 JKUXZYNGKSGKDY-CHWSQXEVSA-N 320.397 -0.451 30 20 DBED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)CC(F)(F)F 1211975160 WRYSSVQYZWKMIA-RKDXNWHRSA-N 322.287 -0.606 30 20 DBED CCNC(=O)CN1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@H](OC)C1 1212141329 ONNUWTBGZCGONV-CHWSQXEVSA-N 319.365 -0.549 30 20 DBED CCN(CC)CC(=O)N[C@@H]1CN(CC#CCOC)C[C@H]1OC 1213597130 VTXBESPAFRRYME-HUUCEWRRSA-N 311.426 -0.207 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(Cc2nccc(C)n2)C[C@@H]1O 1219527319 LYOKFVZHPOSQTI-DVOMOZLQSA-N 320.393 -0.227 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)[C@@H](OC)c2cnn(C)c2)C1 1220081402 AIIWSPYKHIFVSH-RDBSUJKOSA-N 308.382 -0.155 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1CN([C@@H](C)c2nnnn2C)C[C@@H]1O 1220141328 PMPXPCQOMXGILC-AXFHLTTASA-N 308.386 -0.355 30 20 DBED CC#CCN1CCC(CNC(=O)[C@H](C)NC(=O)COC)CC1 1223294517 MLDKAQCDHUZYOH-ZDUSSCGKSA-N 309.410 -0.011 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC(NC(=O)c2ccnn2C)CC1 1226456039 LSTNWTDOYWBRET-LBPRGKRZSA-N 317.393 -0.248 30 20 DBED C#CCCN[C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1NC(=O)NC1=O 1226844790 UFSFTDQXOOETMQ-UTUOFQBUSA-N 306.366 -0.375 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC(NC(=O)CC(=O)N(C)C)CC1 1229517347 SYHWWFHLGPWUNH-LBPRGKRZSA-N 322.409 -0.817 30 20 DBED C#CCN1CCS(=O)(=O)[C@H](CCNC(=O)COCC)C1 1230413595 RXDXRWBRIYMXRW-GFCCVEGCSA-N 302.396 -0.739 30 20 DBED CN(C[C@H]1CCN1CC(=O)NCC#N)C(=O)Cc1ccon1 1231389007 ULUXULGXVAFRKZ-GFCCVEGCSA-N 305.338 -0.610 30 20 DBED O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)N1CCCC1 1256779756 NZELROAYIVCFCG-VAWYXSNFSA-N 306.322 -0.749 30 20 DBED C#C[C@@H](NC(=O)C(=O)NCCCn1cncn1)[C@@H]1CCCO1 1261921940 JYJNTRKKMAFFGJ-NEPJUHHUSA-N 305.338 -0.919 30 20 DBED O=C(CCn1cccn1)NCCN/C(O)=C1/N=CC=CC1=O 1318434740 SLSKDWBCINEYGQ-YPKPFQOOSA-N 303.322 -0.084 30 20 DBED C#C[C@H](CC)NC(=O)C(=O)Nc1cccc(S(N)(=O)=O)c1 1320735671 VEKFHRZKUNOPRS-SECBINFHSA-N 309.347 -0.200 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)NCCCSC 1321503405 LKWSVWLRMPYWDL-UHFFFAOYSA-N 308.425 -0.427 30 20 DBED CCOC(=O)c1cnn(C)c1NC(=O)C(=O)NCC1(C#N)CC1 1321572290 NYOVJJZZZBDLJU-UHFFFAOYSA-N 319.321 -0.045 30 20 DBED O=C(NCC#Cc1ccccc1)C(=O)N1CCn2ncnc2C1 1322988476 OXFUAZUJIQOGMF-UHFFFAOYSA-N 309.329 -0.212 30 20 DBED C#C[C@H](NC(=O)C(=O)NCC(=O)N1CCCC1)[C@@H]1CCCO1 1323780666 ANHBAOJQYUKZAX-RYUDHWBXSA-N 307.350 -0.978 30 20 DBED N#CCNC[C@H]1CCCN1C(=O)Cc1ccc(C(N)=O)nc1 1324182438 UZWDFINOEUFLFA-GFCCVEGCSA-N 301.350 -0.173 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N1CCC[C@@H](N2CCCC2=O)C1 1324239687 XKGCRPKHPYEMAX-QWHCGFSZSA-N 323.393 -0.083 30 20 DBED N#CCn1cc(NC(=O)C(=O)N2C[C@H]3CC[C@@H](O)C[C@H]3C2)cn1 1330322463 NJLVDLIXRRMXAV-NTZNESFSSA-N 317.349 -0.035 30 20 DBED C=CCNC(=O)NC(=O)CN1CC(F)(F)C[C@@H]1C(=O)OC 1331218809 CXVXIPIRSPGODY-MRVPVSSYSA-N 305.281 -0.119 30 20 DBED C[C@@H](CS(C)(=O)=O)N(C)C(=O)C(=O)NCCCCC#N 1346117539 HOCPLLXARLMTDM-JTQLQIEISA-N 303.384 -0.312 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2C[C@H](C)[C@](C)(CO)C2)nn1 1347645052 SFEHBLVFGKORIW-NHYWBVRUSA-N 321.381 -0.443 30 20 DBED C=CC[C@@H](C)NC(=O)C(=O)Nc1ncn(CC(=O)OCC)n1 1349015901 JMSWCBAXHAPUCR-SECBINFHSA-N 309.326 -0.140 30 20 DBED C#CCSCC(=O)NS(=O)(=O)C1CCN(C(C)=O)CC1 1353544657 PPQHJUBPYYMPAQ-UHFFFAOYSA-N 318.420 -0.190 30 20 DBED COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)C1(C#N)CCOCC1 1363100652 VFRBDDGAKSJNSV-UWVGGRQHSA-N 311.338 -0.511 30 20 DBED N#Cc1cn(CCC(=O)NC[C@H](CO)CC2CC2)c(=O)nc1O 1363999000 STDOPKRMEBKANT-LLVKDONJSA-N 320.349 -0.265 30 20 DBED N#Cc1cn(CCNC(=O)NCc2ccncc2)c(=O)nc1O 1367337269 REVJKHJMXAQOLG-UHFFFAOYSA-N 314.305 -0.285 30 20 DBED N#Cc1ccc(CNC[C@H](O)CNC(=O)[C@H]2C[C@H]2C(N)=O)cc1 1374652044 HVXGICYNITUMTE-MJBXVCDLSA-N 316.361 -0.754 30 20 DBED COCCN(CCNC(=O)C1CN(C(C)=O)C1)C(=O)[C@@H](C)C#N 1383320631 YMHAFTCHGUJRGZ-NSHDSACASA-N 324.381 -0.784 30 20 DBED Cc1c(CC(=O)N(C)C[C@H](O)CNC(=O)[C@@H](C)C#N)cnn1C 1405615252 PWQXLGLQQNUCRD-GXFFZTMASA-N 321.381 -0.634 30 20 DBED COCCN(CCNC(=O)[C@H](C)C#N)C(=O)c1cnc(O)n1C 1405760557 MJBVHNKPPONLBS-SNVBAGLBSA-N 323.353 -0.510 30 20 DBED C[C@@H](CNC(=O)CNC(=O)C1CC1)NC(=O)c1cc(C#N)c[nH]1 1408074531 KDUGTRQESLABTO-VIFPVBQESA-N 317.349 -0.353 30 20 DBED COC(=O)C1(C#N)CCN(C(=O)CN2CSCC2=O)CC1 1411372957 KJKPPQPPAOYENE-UHFFFAOYSA-N 311.363 -0.175 30 20 DBED CCC[C@@H]1CN(C(=O)Cn2cc(C#N)c(O)nc2=O)CCO1 1411935038 UCDYPGFBRQGHNK-LLVKDONJSA-N 306.322 -0.152 30 20 DBED C[C@H](C#N)C(=O)NCCN1CCN(C(=O)[C@H]2CCCN2C)CC1 1414758000 VCUXMXSMBBEBDQ-ZIAGYGMSSA-N 321.425 -0.499 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C)C(=O)[C@H]1CCCN(C(N)=O)C1 1415598561 NQZKQLXNLSQJLE-QWRGUYRKSA-N 309.370 -0.489 30 20 DBED C[C@@H](C#N)C(=O)NCC1CN(C(=O)[C@H]2CCS(=O)(=O)C2)C1 1416119030 HYTXWGPMPSWBBV-ONGXEEELSA-N 313.379 -0.845 30 20 DBED C[C@@H](C#N)C(=O)NCC1CN(CC(=O)Nc2cnccn2)C1 1421125880 CECUUSCKZCORCU-JTQLQIEISA-N 302.338 -0.377 30 20 DBED COCC(=O)N[C@@H](C)[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCO1 1424645965 AKVMMCXZTSJQOV-GXFFZTMASA-N 320.349 -0.122 30 20 DBED CCCC[C@H](NC(N)=O)C(=O)NCCN(C)C(=O)[C@H](C)C#N 1431334812 LXEBNEOIMJDBHI-MNOVXSKESA-N 311.386 -0.052 30 20 DBED C[C@H](C#N)C(=O)NCCN(C(=O)[C@H]1CCC(=O)NC1)C1CC1 1431917825 UGMBCVLETKABIZ-MNOVXSKESA-N 306.366 -0.221 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1cn(C)nc1C1CC1 1433294334 LKIDSZKJXVUBTE-GXSJLCMTSA-N 319.365 -0.336 30 20 DBED Cc1nnc(CNC[C@@H](O)CNC(=O)c2cc(C#N)c[nH]2)o1 1445152962 JXSCFSPNYPTQCZ-SNVBAGLBSA-N 304.310 -0.542 30 20 DBED CCN(C(=O)Cn1cnnn1)[C@H]1CCN(C(=O)[C@H](C)C#N)C1 1450759424 RERMHWOWESASSL-MNOVXSKESA-N 305.342 -0.718 30 20 DBED COC(=O)C1(C#N)CCN(C(=O)[C@H]2CN3CCCN2CC3)CC1 1457825002 XXQXWXYGHVGFCW-CYBMUJFWSA-N 320.393 -0.318 30 20 DBED CNC(=O)NCC(=O)NC1CN(Cc2cccc(C#N)c2)C1 1481561528 CUBQDNOAOYVEHT-UHFFFAOYSA-N 301.350 -0.212 30 20 DBED C[C@@H](C#N)C(=O)N1CC([C@@H](C)NC(=O)CCc2nc[nH]n2)C1 1487164261 QTBGJBQXVNGNAB-VHSXEESVSA-N 304.354 -0.140 30 20 DBED C[C@H](C#N)C(=O)N(CCNC(=O)c1cc(=O)n(C)cn1)C1CC1 1497473817 FTONUIZIIQVHEH-SNVBAGLBSA-N 317.349 -0.339 30 20 DBED N#Cc1nc(NC2CN(c3ccncn3)C2)cnc1-c1nn[nH]n1 1581880830 WPWYWBXASIFRSX-UHFFFAOYSA-N 321.308 -0.381 30 20 DBED C#C[C@@H](CO)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1F 1588328023 WYSREJKTFZZAPW-QMMMGPOBSA-N 311.298 -0.722 30 20 DBED C#Cc1ccc(CNC(=O)Cn2cnc(-c3nn[nH]n3)n2)cc1 1588373442 KHCIQVWLMNAZDG-UHFFFAOYSA-N 308.305 -0.244 30 20 DBED C[C@H](CNc1cnc(-c2nn[nH]n2)cn1)NC(=O)[C@H](C)C#N 1588931327 XGVSDVXZLJHMTG-HTQZYQBOSA-N 301.314 -0.267 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@H](CN=c2cc[nH]c(C(=O)O)n2)C1 1589329828 UBHMXIBOPCMGOP-NXEZZACHSA-N 319.321 -0.604 30 20 DBED C[C@H](CNc1cnc(C#N)c(-c2nn[nH]n2)n1)S(C)(=O)=O 1589879312 LGYSZWJALIIYBL-ZCFIWIBFSA-N 308.327 -0.627 30 20 DBED N#Cc1nc(N2C[C@@H]3C[C@H]2C[S@@]3=O)cnc1-c1nn[nH]n1 1592706393 YLGSRQLRGOQRBC-JBBQLFNJSA-N 302.323 -0.762 30 20 DBED N#Cc1ccc(NC(=O)C(=O)N2CCO[C@H](CC(=O)O)C2)nc1 1601107291 XCVTYRGVVHGNDA-SNVBAGLBSA-N 318.289 -0.406 30 20 DBED C=CCCn1cc(C(=O)N2CCC[C@@H]2C(=O)NCC(=O)O)nn1 1602884616 LKZSTJMJQXETIB-LLVKDONJSA-N 321.337 -0.340 30 20 DBED CO[C@@H]1COCC[C@@H]1CNc1cnc(-c2nn[nH]n2)c(C#N)n1 1605037027 NGENLYXNICCEDT-PSASIEDQSA-N 316.325 -0.008 30 20 DBED CCn1c([C@@H]2C[C@@H]2C#N)nnc1N1CCO[C@@H](C(=O)NC)C1 1646709516 RHZFWBGJVZNBTG-GMTAPVOTSA-N 304.354 -0.124 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)Cc2cncs2)C1 1713825503 FXNXZCPTCFWMIL-LLVKDONJSA-N 306.391 -0.375 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H](C)CCNC(=O)CN(C)C(C)=O 1753003509 STEVJIDVDFSGDS-NEPJUHHUSA-N 310.398 -0.913 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)NCCN(C)[C@H](C)C(N)=O 1753074909 WCVWFRNXAGGLAA-SNVBAGLBSA-N 313.402 -0.828 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC[C@H]1CNC(=O)Cc1cnoc1 1753110626 RGENCDIJJYBTSY-JSGCOSHPSA-N 318.377 -0.064 30 20 DBED CCNC(=O)NC(=O)CNCCN(C)C(=O)c1ccc(C#N)[nH]1 1753182467 WQZMRMMOGQWCCF-UHFFFAOYSA-N 320.353 -0.606 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC(CNC(=O)CC[C@H](C)OC)C1 1753400949 OBDFNDPUBNVZHS-QWHCGFSZSA-N 309.410 -0.013 30 20 DBED Cc1ccc(C(=O)N(C)[C@H](C)CNCC(=O)NCC#N)nn1 1753688531 DNYJCSBYPINSAH-LLVKDONJSA-N 304.354 -0.525 30 20 DBED C#CCNC(=O)[C@H](C)N(C)CCN(C)C(=O)CN1CCCC1=O 1753846813 MNVOFPUTQJIODC-ZDUSSCGKSA-N 322.409 -0.863 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H](O)CNCC#CCOC)nc1 1753933911 QNKMKPMXOOTMOF-AWEZNQCLSA-N 301.346 -0.607 30 20 DBED C#CCNC(=O)CNCC[C@H](C)NC(=O)[C@@]1(C)CCNC(=O)C1 1753975456 GBYLQAIYVGZRDH-LRDDRELGSA-N 322.409 -0.864 30 20 DBED C#CCNC(=O)[C@H](C)NC/C=C\CNC(=O)C[C@@H]1COC(=O)C1 1754110620 JRYWCHCYSZRHET-AIMRDXAKSA-N 321.377 -0.661 30 20 DBED C=CCNC(=O)CNC[C@H]1CCCC[C@H]1NC(=O)c1cnn[nH]1 1754346082 QVLDASROENOIKC-VXGBXAGGSA-N 320.397 -0.015 30 20 DBED CC[C@@H]1CN(C(=O)CCOC)CC[C@H]1NCC(=O)NCC#N 1754476339 JGIZXKRJYDCSPR-CHWSQXEVSA-N 310.398 -0.121 30 20 DBED C=C(C)CCN1CC(N(C)C(=O)C[C@H](NC(C)=O)C(N)=O)C1 1754583336 UPIDFBHBJPZQTP-ZDUSSCGKSA-N 310.398 -0.525 30 20 DBED C/C(=C/C(=O)N1CCO[C@H](CNCC(=O)NCC#N)C1)C1CC1 1754993875 CHEWZIGSGUOVPE-ICDLMJIXSA-N 320.393 -0.201 30 20 DBED C#CCNC(=O)CN[C@]1(CO)CCCN(C(=O)C2CCC2)C1 1755080706 LLGUBUALDMMWDO-MRXNPFEDSA-N 307.394 -0.521 30 20 DBED C#CCCNCC1CC(NC(=O)CCS(=O)(=O)NC)C1 1755211568 VFSCBSFPGKHTNG-UHFFFAOYSA-N 301.412 -0.567 30 20 DBED C=CCOCCN1C[C@H]2[C@H](CNC(=O)[C@H]3CCNC3=O)[C@H]2C1 1755427100 YWZQEOJVMYUNGA-XDQVBPFNSA-N 307.394 -0.381 30 20 DBED C#CCNC(=O)CN1C[C@H]2C[C@@H](NC(=O)COC)CC[C@H]2C1 1755449565 HCOXQQIVHVCMHN-MJBXVCDLSA-N 307.394 -0.401 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@H](C)N(C(=O)Cn2ccnc2C)C1 1755692440 LEPMWDDVNGXPMC-JSGCOSHPSA-N 317.393 -0.480 30 20 DBED C[C@@H]1[C@H](NC(=O)[C@@H]2[C@H]3COC[C@H]32)CCCN1CC(=O)NCC#N 1755716378 MAOSSVGEBFGSJJ-VVSAWPALSA-N 320.393 -0.512 30 20 DBED C#CCNC(=O)CN1CCC[C@H](NC(=O)c2cnn(C)n2)[C@H]1C 1755720555 GGERJBSWPYBBIQ-NEPJUHHUSA-N 318.381 -0.853 30 20 DBED C#CCCN(C)C[C@@H](O)CN(C)C(=O)c1cnc(N(C)C)cn1 1755799840 BLHNXPBLDFHABI-CYBMUJFWSA-N 319.409 -0.069 30 20 DBED C#CCNCCOCCN(C)C(=O)[C@H]1CCC[C@@H](C(N)=O)C1 1755876741 RFZCERUALFMYAK-KGLIPLIRSA-N 309.410 -0.024 30 20 DBED O=C(C#CC1CC1)NCC1[C@H]2CN(C(=O)Cc3nc[nH]n3)C[C@H]12 1756197038 GOUYEGRMGOFKEZ-CHWSQXEVSA-N 313.361 -0.419 30 20 DBED CNC(=O)CC(=O)N[C@H](C)[C@H]1CN(C(=O)C#CC(C)C)CCO1 1756216247 HNHQLROPZFQJJA-CHWSQXEVSA-N 323.393 -0.486 30 20 DBED C=CCOCC(=O)N[C@H]1CCC[C@@H](NC(=O)c2nnn(C)n2)C1 1756228952 OJXSUCSDIRCGHT-WDEREUQCSA-N 322.369 -0.430 30 20 DBED C=CCOCC(=O)N[C@@H](C)CN(C)C(=O)[C@H](C)S(C)(=O)=O 1756468026 FQOFCEUOARYRQP-QWRGUYRKSA-N 320.411 -0.415 30 20 DBED C=CCOCC(=O)NC[C@@H](CO)NC(=O)[C@@H](C)C(F)(F)F 1756519722 UEMWMDFTIQCJCL-BDAKNGLRSA-N 312.288 -0.019 30 20 DBED C#CCCCC(=O)N[C@@H](CO)CNC(=O)c1c(C)nn(C)c1F 1756543538 RLACGDGTGVZQNS-LLVKDONJSA-N 324.356 -0.122 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(C(=O)CCCC(N)=O)[C@@H]1C 1756565174 BYOVGPTZWIMLLL-VXGBXAGGSA-N 311.382 -0.050 30 20 DBED C[C@@H]1C[C@@H](NC(=O)CNC(N)=O)CN1C(=O)C#CC(C)(C)C 1756589393 DOVUXOHCKCGRRY-GHMZBOCLSA-N 308.382 -0.190 30 20 DBED C#CCOCCC(=O)N[C@@H]1C[C@H](C)N(C(=O)CCCC(N)=O)C1 1756591747 HMCZHUYSDUTCOV-QWHCGFSZSA-N 323.393 -0.213 30 20 DBED CC(C)(C)C#CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2nc[nH]n2)C1 1757023939 NCSPJDSHJUCTFU-NXEZZACHSA-N 305.338 -0.844 30 20 DBED C=CCCO[C@H](C)C(=O)N[C@@H]1CN(C(=O)COC)C[C@H]1OC 1757119120 DHWDYILZGJMIJZ-JHJVBQTASA-N 314.382 -0.044 30 20 DBED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](C)NC=O)C2 1781692479 PBCPWAJGEOYQFQ-WOSRLPQWSA-N 321.377 -0.732 30 20 DBED CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1786445302 COBBAKIXJVXHSB-AVGNSLFASA-N 322.361 -0.146 30 20 DBED N#CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H]1CCC(=O)N1)C2 1795461676 XOQITDFDUMXYHF-WRWGMCAJSA-N 304.350 -0.183 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)n1cncn1 1801360922 KIUBZBXDXQYBDN-NRWUCQMLSA-N 317.349 -0.938 30 20 DBED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)[C@H]2C[C@@H](O)C2)C1 1843843038 QUUHKGMEHDJGFH-MCIONIFRSA-N 320.389 -0.001 30 20 DBED N#CCOC(=O)[C@@H](CCC(N)=O)N1C(=O)c2ccccc2C1=O 17375587 KQTBUOPGMKXBRG-LLVKDONJSA-N 315.285 -0.017 30 20 DBED CN1C(=O)CC[C@@H](NS(=O)(=O)c2cccc(C#N)c2)C1=O 90030849 BTFDBNPJBNTTLO-LLVKDONJSA-N 307.331 -0.016 30 20 DBED CCOC(=O)CO/N=C(/C(=O)N1CC[C@](C)(O)C1)c1cc[nH]n1 277904515 FOGJZQATBRTPJY-IQGJIOQQSA-N 324.337 -0.323 30 20 DBED CC(C)C(=O)/C(C#N)=c1/s/c(=C\c2cnn(C)c2)c(=O)n1C 298874615 SAIGHDCZUJNKDU-GAZWWLAASA-N 316.386 -0.092 30 20 DBED COc1nnc(N/C(O)=N/[C@@H]2CCCS(=O)(=O)C2)s1 328749236 PYVCCCXYAYBJDM-ZCFIWIBFSA-N 306.369 0.450 30 20 DBED CN1C[C@H](N/C(O)=N/[C@@H]2CCCN(S(C)(=O)=O)C2)CC1=O 329938579 SNXLNTPPDBQRKX-NXEZZACHSA-N 318.399 -0.855 30 20 DBED CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)Cn2cnc(C#N)n2)C1 331172223 VUFLIFYKCVGHLL-GHMZBOCLSA-N 304.354 -0.087 30 20 DBED COCCN(CC(=O)N(C)C)S(=O)(=O)N(C)C[C@H](C)C#N 336912288 JDKZBIDAJGUUDD-LLVKDONJSA-N 320.415 -0.641 30 20 DBED CCN(CCC#N)S(=O)(=O)NC[C@H](C)N1CCN(C)CC1 337103960 YHEXLRCOZUAYMS-ZDUSSCGKSA-N 317.459 -0.308 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1C[C@@H](C)O[C@@H](CO)C1 337193098 UJCKGQJZSIVAAV-VXGBXAGGSA-N 321.399 -0.825 30 20 DBED CC[C@@H](C#N)NC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 343434423 UGYHSLNBIUKGQX-STQMWFEESA-N 308.382 -0.415 30 20 DBED COC[C@@H]1CN(C(=O)NCCn2cnc(C#N)n2)C[C@H](C)O1 347636954 QZAZULXMQQITKT-QWRGUYRKSA-N 308.342 -0.405 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)NC[C@H]1CN(C2CC2)CCO1 353002539 VQTSKLLCJADXLD-YPMHNXCESA-N 310.398 -0.161 30 20 DBED CS(=O)(=O)c1ccc(NC(=O)NCC(=O)NCC#N)cn1 353253931 MVJDLZPDJZAKMQ-UHFFFAOYSA-N 311.323 -0.754 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ncccc2O)C1=O 354162671 JZVKZGQKXYOBFD-UHFFFAOYSA-N 304.262 -0.298 30 20 DBED CCS(=O)(=O)NCCCNC(=O)Cc1noc(C)c1C#N 354435774 COTAJJHGBSYYMP-UHFFFAOYSA-N 314.367 -0.157 30 20 DBED Cc1cccc(NC(=O)C(=O)NC[C@H](O)CN(C)C)c1C#N 441595587 XVRUBKUSVQCSJM-NSHDSACASA-N 304.350 -0.156 30 20 DBED Cc1[nH]c(C#N)cc1C(=O)NCCNS(=O)(=O)NC(C)C 451183752 KLMSOFWWLYWFFI-UHFFFAOYSA-N 313.383 -0.243 30 20 DBED C=CCNC(=O)NC(=O)CN1CCC[C@@H](NC(=O)N(C)C)C1 451991858 SYMNCAHPBDVNBM-LLVKDONJSA-N 311.386 -0.266 30 20 DBED C#CCNC(=O)CN1CCN(CCCN2CCOCC2)CC1 491126379 NOIYRBPIADUEJZ-UHFFFAOYSA-N 308.426 -0.924 30 20 DBED C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)N1CCS(=O)(=O)CC1 514597885 BXLRJWXIGPDJHA-QWRGUYRKSA-N 324.424 -0.858 30 20 DBED CCO[C@@H]1COCC[C@H]1NC(=O)NCCn1cnc(C#N)n1 553747453 MCMOAPMZOGWQEO-GHMZBOCLSA-N 308.342 -0.357 30 20 DBED N#Cc1c(N2CCN3C(=O)C(=O)NC[C@@H]3C2)ncc2c1CCC2 563618674 CTDPSSBHDKUHQQ-LLVKDONJSA-N 311.345 -0.411 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)[C@@H]2CCc3nnnn3CC2)C1=O 569464650 SPASVTBJBBLDRZ-NEPJUHHUSA-N 318.381 -0.129 30 20 DBED CN(CCC#N)S(=O)(=O)N1C[C@@H](C(=O)O)[C@@]2(CCOC2)C1 578110614 WKXIXSSMBBLNHR-JQWIXIFHSA-N 317.367 -0.500 30 20 DBED CN(C)c1nc(N)nc(C(=O)NC[C@H]2CCCN(CC#N)C2)n1 584298840 OTYAWANDWMCRRC-SNVBAGLBSA-N 318.385 -0.515 30 20 DBED N#CC[C@]1(O)CCN(CC#CCN2CC[C@@](O)(CC#N)C2)C1 592153783 OPIXQGMRZHSAMV-HOTGVXAUSA-N 302.378 -0.309 30 20 DBED N#Cc1cccc(C(=O)NCc2cn(C[C@H](O)CO)nn2)c1 594643928 MYJLJVMSKGLZOX-ZDUSSCGKSA-N 301.306 -0.567 30 20 DBED N#CCCCC(=O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 597560910 AWOZEQZARLSJBS-UHFFFAOYSA-N 311.367 -0.064 30 20 DBED C[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N1CC[C@](F)(C#N)C1 615645363 NPYLPUIMAWJLAO-SCVCMEIPSA-N 303.359 -0.384 30 20 DBED CS(=O)(=O)NC1CN(C(=O)NCC#Cc2ccccc2)C1 636518142 IDLPKLLLFAMJMM-UHFFFAOYSA-N 307.375 -0.019 30 20 DBED CN1CC[C@](O)(CNC(=O)NCCNc2ncccc2C#N)C1 763017700 OSDWEBATAOZNAX-HNNXBMFYSA-N 318.381 -0.269 30 20 DBED O=C1N=C(NN=Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])NC1=O 766029166 JORFOCHPVHCHGJ-UHFFFAOYSA-N 306.194 -0.561 30 20 DBED C[C@H]1CN(S(=O)(=O)CC(C)(C)C#N)CCN1S(C)(=O)=O 790049844 WMVDXUYZJKAGRK-JTQLQIEISA-N 323.440 -0.168 30 20 DBED C#CCC[C@H](O)CNC(=O)Cn1nnc2ccccc2c1=O 799074031 YQZIWGZJSQVNTI-NSHDSACASA-N 300.318 -0.318 30 20 DBED CNC(=O)C1(NS(=O)(=O)N2CCO[C@H](C#N)C2)CCCC1 800041759 OYWROUQNAXAXCE-SNVBAGLBSA-N 316.383 -0.896 30 20 DBED O=C(Cn1nnc2ccccc2c1=O)N[C@@H]1CCCN(O)C1=O 816753678 NFWXCQXCEZDNGV-LLVKDONJSA-N 317.305 -0.712 30 20 DBED COC(=O)N(C)CCNC(=O)C(=O)NCc1cccc(C#N)c1 826915542 OIYSXAZHFRELSI-UHFFFAOYSA-N 318.333 -0.011 30 20 DBED Cc1ccc2c(c1)C(=O)N(CC(=O)N[C@@H]1CNC[C@H]1C#N)C2=O 834511762 NUBXNUQMHCVOJX-ZWNOBZJWSA-N 312.329 -0.181 30 20 DBED C#CC[C@@H](CO)NC[C@H](O)CN1C(=O)c2ccccc2C1=O 843077037 KQNSEYXNCPOLEO-RYUDHWBXSA-N 302.330 -0.383 30 20 DBED Cc1nnnn1-c1ccc(C(=O)NS(=O)(=O)CCC#N)cc1 845559375 CPFMKGDIHRUOMG-UHFFFAOYSA-N 320.334 -0.056 30 20 DBED COc1ccc(CNC(=O)[C@@H]2CCS(=O)(=O)N2)cc1C#N 845851274 XEOCHGHPBASYHB-NSHDSACASA-N 309.347 -0.125 30 20 DBED COc1cc(C#N)ccc1S(=O)(=O)NCCn1cnnn1 845950651 FWWIOWKFQRMPCW-UHFFFAOYSA-N 308.323 -0.468 30 20 DBED C=C(C)CONC(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1 846536584 RAGIYSLRRWWECV-VIFPVBQESA-N 302.356 -0.289 30 20 DBED N#Cc1ccc(NCC(=O)NN2CCS(=O)(=O)CC2)nc1 862734648 LXEFFOOTEYSOLL-UHFFFAOYSA-N 309.351 -0.873 30 20 DBED C#CCN1CCN(C(=O)CON=C(N)c2cc(C)ccn2)CC1 883054129 XSSPQJPUTQJZFE-UHFFFAOYSA-N 315.377 -0.196 30 20 DBED C=CCN(CC=C)C(=O)COC(=O)Cn1ccc(=O)n(C)c1=O 915233645 BTBYTCXJKVNEJC-UHFFFAOYSA-N 321.333 -0.709 30 20 DBED C#CC[C@H](CO)NC(=O)NC[C@@H](C)CN1CCN(CC)CC1 920462820 WLCCTUNVCUGNRM-HUUCEWRRSA-N 310.442 -0.057 30 20 DBED C#CCN1CCC[C@@H](NC(=O)[C@](C)(O)Cn2ccccc2=O)C1 923561161 STPAUBXZSUGKMO-RHSMWYFYSA-N 317.389 -0.187 30 20 DBED C#CC1(O)CN(CC(=O)NCc2ccc(S(C)(=O)=O)cc2)C1 934450694 OMDLHCSZUVJAAS-UHFFFAOYSA-N 322.386 -0.614 30 20 DBED C[C@@H]1CN(CC#N)CC[C@@H]1NC(=O)CN1CCCS1(=O)=O 942107438 WKHCZLJLWWAXRL-NEPJUHHUSA-N 314.411 -0.628 30 20 DBED C=CCN1CCC2(CC1)CN(C(=O)[C@H]1C[C@H]1C(N)=O)CCO2 949191913 YQDXBFZIBJOXDR-OLZOCXBDSA-N 307.394 -0.013 30 20 DBED CC#CCN1C[C@@H](O)[C@H](CNC(=O)c2cnn3cccnc23)C1 958309924 UGTWMFCCSGJSSE-TZMCWYRMSA-N 313.361 -0.225 30 20 DBED N#Cc1ccc(C(=O)NC2[C@@H]3CN(CC(=O)N4CCC4)C[C@@H]23)[nH]1 958597601 HOAMUAGBDADWTO-VXGBXAGGSA-N 313.361 -0.221 30 20 DBED C=CCCN1C[C@@H](O)[C@@H](CNC(=O)c2cccnc2C(N)=O)C1 958715267 IEXGPEQGWWAWJI-WCQYABFASA-N 318.377 -0.221 30 20 DBED Cc1c[nH]nc1C(=O)N(C)[C@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1O 958842708 OAENNJWPWVIXAG-LSJOCFKGSA-N 305.338 -0.479 30 20 DBED C#Cc1ccc(C(=O)N(C)[C@H]2CN(C(=O)C(F)F)C[C@@H]2O)cn1 958908382 XMOFSIFPHCQYTM-RYUDHWBXSA-N 323.299 -0.028 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)C(F)F)C1 961075638 GZXZIHRESPFZFZ-VLEAKVRGSA-N 318.320 -0.079 30 20 DBED N#CCN1C[C@H]2C(NC(=O)C3(n4cnnn4)CCCCC3)[C@@H]2C1 961470901 UTQUWEIRSNQDPV-VXGBXAGGSA-N 315.381 -0.098 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(C[C@H](NC(=O)C3=COCCO3)CO2)C1 965603809 ALXPZLJQTNHDPZ-QWRGUYRKSA-N 321.333 -0.480 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](C)[C@H](NC(=O)Cn2cnnn2)C1 966660596 GAJCOJTYEBIDGF-WDEREUQCSA-N 306.370 -0.152 30 20 DBED CCN(C(=O)c1cc(C#N)c[nH]1)C1CN(C(=O)CC(N)=O)C1 967866458 YNISZLBAFNHOAR-UHFFFAOYSA-N 303.322 -0.565 30 20 DBED CCN(C(=O)[C@H]1CCN(C)C1=O)C1CN(C(=O)C#CC2CC2)C1 968260533 IJQDODUTFAEDMQ-AWEZNQCLSA-N 317.389 -0.063 30 20 DBED C=CCN1CC[C@H](N[C@@H]2CCN(C(=O)Cc3cnc[nH]3)C2)C1=O 970103920 VKEVSYIFUAKRKP-OCCSQVGLSA-N 317.393 -0.070 30 20 DBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CCN(C(=O)C(N)=O)C1 983205173 NPDSNSHMCGFPQY-AVGNSLFASA-N 323.393 -0.192 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)c3cnnc(O)c3)C2)cn1 997101249 DZXYYXBYRVKMLY-UHFFFAOYSA-N 323.312 -0.187 30 20 DBED C#Cc1cncc(C(=O)N2CC(NC(=O)[C@@H]3CCC(=O)N3)C2)c1 997112484 PVEYXEPRAUHOSW-ZDUSSCGKSA-N 312.329 -0.718 30 20 DBED Cn1nncc1C(=O)NCC1CN(C(=O)c2cc(C#N)c[nH]2)C1 1001656671 MPSQRSLJXISBEL-UHFFFAOYSA-N 313.321 -0.483 30 20 DBED Cn1nnnc1CN1CCC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 1007142544 ICXBBDFAOYVGIF-LLVKDONJSA-N 314.353 -0.196 30 20 DBED COCC(=O)N1C[C@H]2[C@H](CNC(=O)c3ccc(C#N)[nH]3)[C@H]2C1 1008954819 WMNGDYCRAIJCAL-CNDDSTCGSA-N 302.334 -0.033 30 20 DBED COc1nccc(C(=O)NC2[C@@H]3CN(C(=O)[C@H](C)C#N)C[C@@H]23)n1 1013494317 DADNRAUPGNCHBX-OPRDCNLKSA-N 315.333 -0.169 30 20 DBED N#CCN1CCC2(CC1)C[C@H]2NC(=O)[C@@H]1CCS(=O)(=O)C1 1016716535 VTYNTIGWHDUYKF-VXGBXAGGSA-N 311.407 -0.085 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(CN(C(=O)c3cn(C)nn3)C2)C1 1018993385 AEWCDOPMWNBPRJ-JTQLQIEISA-N 302.338 -0.351 30 20 DBED Cc1cncc(CC(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2O)c1 1024816464 COJAHUNTOBKSRD-IACUBPJLSA-N 316.361 -0.220 30 20 DBED CC#CCN1C[C@H]2[C@H](NC(=O)[C@@H]3CN4CCC[C@H]4CO3)[C@H]2C1 1025798650 CIOJZSUTOUMMRO-ARKGTOAJSA-N 303.406 -0.081 30 20 DBED Cn1c(O)ncc(C(=O)N2C[C@@H]3CC[C@H](NCC#N)[C@H]3C2)c1=O 1026326022 GRSOFOFTNJZFJS-DLOVCJGASA-N 317.349 -0.550 30 20 DBED CN(C[C@H]1CCN(C(=O)C#CC2CC2)C1)[C@H]1CCC(=O)NC1=O 1029735662 ROYXZWQTPLLSSA-KGLIPLIRSA-N 317.389 -0.015 30 20 DBED CC(C)N1CCO[C@@H](C(=O)NC[C@H]2CN(CC#N)CCO2)C1 1035484327 ZPGDPOKBQYYTBO-UONOGXRCSA-N 310.398 -0.564 30 20 DBED C#CCN1CC[C@H]2CN(C(=O)CCn3ncn(C)c3=O)CC[C@@H]21 1036778575 VIOIPTZUTDHWLJ-KBPBESRZSA-N 317.393 -0.472 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)Cc2cncs2)C1 1040127396 IJKKPYIYLRPVDV-IINYFYTJSA-N 322.390 -0.075 30 20 DBED C[C@H]1[C@@H](N=c2cc[nH]cc2C#N)CCN1C(=O)c1nnn(C)n1 1040218675 ROXMTARWEWDEQC-ONGXEEELSA-N 312.337 -0.386 30 20 DBED N#CCSCC(=O)NCC1(O)CN(C(=O)c2cnco2)C1 1041575575 YFRRPWHFORNWRS-UHFFFAOYSA-N 310.335 -0.766 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)[C@H](C)C2CC2)C1 1042378673 YDQSFUAWZTUZPO-NEPJUHHUSA-N 308.378 -0.240 30 20 DBED C=CCN1CC[C@H](N2CC(N(C)C(=O)Cn3cccn3)C2)C1=O 1042475059 HHEQZGIGVZTIRE-AWEZNQCLSA-N 317.393 -0.187 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(O)(CNC(=O)c2n[nH]cc2C)C1 1042948511 CNDXXXGGWDTTLN-CQSZACIVSA-N 322.365 -0.652 30 20 DBED C=CCCOCC(=O)NCC1(O)CN(C(=O)c2ccnnc2)C1 1043568835 PCCLUVQJUMPIEJ-UHFFFAOYSA-N 320.349 -0.628 30 20 DBED C=C[C@@](C)(CC)C(=O)N1CC(O)(CNC(=O)c2cnn[nH]2)C1 1043806853 IOZARJPMSHZPER-ZDUSSCGKSA-N 307.354 -0.290 30 20 DBED C=C1CC(C)(C(=O)N2CC(O)(CNC(=O)c3cnn(C)n3)C2)C1 1043885557 GLCPRWYICATHRC-UHFFFAOYSA-N 319.365 -0.526 30 20 DBED N#Cc1cnc(N2C[C@H](O)[C@H](NC(=O)[C@@H]3CC3(F)F)C2)cn1 1043926112 AZYKYEPVBXOORJ-AEJSXWLSSA-N 309.276 -0.331 30 20 DBED COc1ncccc1C(=O)NCC1(O)CN(C(=O)[C@H](C)C#N)C1 1045703053 OBQDJECWJAPHGU-SNVBAGLBSA-N 318.333 -0.447 30 20 DBED Cc1cc(CCC(=O)NCC2(O)CN(C(=O)[C@@H](C)C#N)C2)no1 1046370695 DAANBRZAXLMNOD-JTQLQIEISA-N 320.349 -0.235 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2nocc2C)C1 1046560596 VIZSKGUDCSQXSL-NSHDSACASA-N 321.333 -0.676 30 20 DBED CN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CN(Cc2cnon2)C[C@@H]1O 1047353195 DCTMMRPOOFYHDG-STQMWFEESA-N 316.321 -0.413 30 20 DBED C=CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@]2(C)CCNC(=O)C2)C1 1047429114 YAYWKVZVNQCJOG-XEZPLFJOSA-N 309.410 -0.018 30 20 DBED CN(C(=O)c1c[nH]nc1[C@@H]1CCOC1)[C@H]1CN(CC#N)C[C@@H]1O 1047470854 DGLAGXDHZYLYSF-WXHSDQCUSA-N 319.365 -0.446 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCOCC)C1 1048535401 MUFORHYPFWWDFT-STQMWFEESA-N 314.382 -0.354 30 20 DBED C#Cc1cncc(C(=O)N2C[C@@H]3CN(CC(=O)NC)C[C@@H]3C2)c1 1049047254 CIRLHMZCUGVPBB-GASCZTMLSA-N 312.373 -0.187 30 20 DBED COCCn1cc(C(=O)NC[C@H]2COCCN2CC#N)cn1 1051228554 KDINKXNQSSVISB-ZDUSSCGKSA-N 307.354 -0.516 30 20 DBED CCn1nncc1CN1CC2(C1)CN(C(=O)[C@H](C)C#N)CCO2 1053191019 JOAUEEGXYBAOME-GFCCVEGCSA-N 318.381 -0.129 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)c1cnnn1CC)CCO2 1053244099 BEFKKFRJGNZZSM-UHFFFAOYSA-N 303.366 -0.152 30 20 DBED N#CCN1CC2(C1)CN(C(=O)Cc1ccc(O)nc1)CCO2 1053343414 LNOHKDKOMBWZRP-UHFFFAOYSA-N 302.334 -0.234 30 20 DBED C#CCN1CC2(C1)CN(C(=O)[C@H](C)[C@H]1CCC(=O)N1)CCO2 1053442332 JOOVLSQNTUBKJN-CHWSQXEVSA-N 305.378 -0.553 30 20 DBED C#CCN1CC2(C1)CN(C(=O)[C@@H]1CCc3nncn3C1)CCO2 1053540793 HFGGKJJGBZXXTN-CYBMUJFWSA-N 315.377 -0.613 30 20 DBED C#CCN1CC2(CC[C@@H](CNC(=O)[C@H]3CN(CC)CCO3)O2)C1 1053699867 KCCZCQIXTUQLPB-LSDHHAIUSA-N 321.421 -0.310 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1COC2(C1)CN(CC(N)=O)C2 1053805320 OTZQGRQIOBOFAC-XQQFMLRXSA-N 323.393 -0.588 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)[C@@H]3CCCCN3C(N)=O)CO2)C1 1053980556 QXWTYHJWSSLZAL-STQMWFEESA-N 320.393 -0.488 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2ccc(=O)n(CCOC)n2)C[C@@H]1C 1054879353 IHNUYFKJZJQYHM-GXTWGEPZSA-N 318.377 -0.427 30 20 DBED C=CCOCC(=O)N1CCC[C@](CO)(NC(=O)c2ncc[nH]2)C1 1055928531 AZQBQMHXQNKBET-HNNXBMFYSA-N 322.365 -0.304 30 20 DBED N#Cc1ccc(N2CCN(C(=O)[C@@H]3CNC(=O)N3)CC2)nc1 1055998496 IBNCCRHVUJOMOM-NSHDSACASA-N 300.322 -0.717 30 20 DBED Cn1cnc(C(=O)N[C@H]2[C@@H]3CN(c4ccc(C#N)nn4)C[C@@H]32)n1 1056204135 XBNSHDFDDAXLES-IAZYJMLFSA-N 310.321 -0.659 30 20 DBED N#Cc1cnc(N2CCC[C@H](NC(=O)Cn3ncnn3)C2)cn1 1058196675 BAOILVFSVOVEGR-JTQLQIEISA-N 313.325 -0.880 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)c1csc(O)n1 1058462088 IZJKHYAILRQRSL-QMMMGPOBSA-N 312.351 -0.441 30 20 DBED Cc1cc(O)ncc1C(=O)NCCN(CCO)C(=O)[C@H](C)C#N 1058656970 NVTPGLBGHKUXFW-LLVKDONJSA-N 320.349 -0.194 30 20 DBED C=CCOCC(=O)N1CC[C@H](CCNC(=O)Cn2cnnn2)C1 1059334503 FSAUJSKGOJLTOP-LBPRGKRZSA-N 322.369 -0.770 30 20 DBED N#Cc1ccc(N[C@@H]2CC[C@H]3CN(C(=O)CC(N)=O)C[C@H]32)nn1 1060522520 ADAAYIFHRAIZRU-MVWJERBFSA-N 314.349 -0.127 30 20 DBED C#CCCCCC(=O)NC[C@H]1COCCN1C(=O)CC(=O)NC 1061516127 VJKFEVHLCPDQNE-ZDUSSCGKSA-N 323.393 -0.340 30 20 DBED C#CCCCC(=O)NC[C@H]1COCCN1C(=O)c1cnn[nH]1 1061534410 NMGZTDPSMXPBSB-NSHDSACASA-N 305.338 -0.435 30 20 DBED C=CC(C)(C)CC(=O)NC[C@@H]1COCCN1C(=O)CC(N)=O 1061615611 RHRDRTDKQRTRRL-LLVKDONJSA-N 311.382 -0.192 30 20 DBED C=C(C)CCC(=O)NC[C@H]1COCCN1C(=O)CNC(N)=O 1061629291 PUCPSVUYTRSEGC-NSHDSACASA-N 312.370 -0.645 30 20 DBED C=C(C)CCC(=O)NC[C@@H]1COCCN1C(=O)Cn1ncnn1 1061631414 VNKYOUAFVKBXFP-GFCCVEGCSA-N 322.369 -0.627 30 20 DBED COCCOCC(=O)N1CCOC[C@H]1CNC(=O)[C@@H](C)C#N 1061845534 ISXIVFLEAWMEMX-NWDGAFQWSA-N 313.354 -0.847 30 20 DBED N#Cc1cncc(N2C[C@@H]3C[C@H]2CN3C(=O)CCn2ccnn2)n1 1062480044 AGJVWSFAGFAIDF-STQMWFEESA-N 324.348 -0.180 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)CCS(C)(=O)=O)CCC1 1063564370 NGLMLUCIFMAROO-SNVBAGLBSA-N 315.395 -0.264 30 20 DBED Cc1cc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)Cn2cnnn2)c(C#N)cn1 1064221349 RUZSVPDGFZLLQH-RIEGTJTDSA-N 324.348 -0.358 30 20 DBED C[C@H](CC(N)=O)C(=O)NC[C@@H]1CN(C(=O)C#CC2CC2)CCO1 1065136308 ADCHHOIGYAKJBO-DGCLKSJQSA-N 321.377 -0.745 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)Cn2ccnc2)CCO1 1065305794 UJKSFOZCVCZVNM-CQSZACIVSA-N 318.377 -0.114 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CN(C(=O)C(=O)NCC2CC2)CCO1 1065533028 WPSJFSSFRLLECD-PWSUYJOCSA-N 322.365 -0.984 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)CC2(O)CCC2)C1 1065557689 UJKYLSGGGYPWQO-RYUDHWBXSA-N 309.366 -0.205 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)CCc2nc[nH]n2)C1 1065557825 VSYMNZNAFQSXJK-QWRGUYRKSA-N 320.353 -0.759 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)Cc2cnc[nH]2)CCO1 1065672323 PSFCOZSGDQNRBE-CQSZACIVSA-N 318.377 -0.045 30 20 DBED N#Cc1cnc(NC[C@H]2CN(C(=O)c3nc[nH]n3)CCO2)cn1 1066638045 OCNLMKCNDRAZIS-JTQLQIEISA-N 314.309 -0.581 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCCN(C)C(=O)CN1CC(=O)NC1=O 1067927839 IWKUPFYJHVWHFI-JTQLQIEISA-N 323.353 -0.995 30 20 DBED N#Cc1cncc(N2C[C@H]3CC[C@H]2CN3C(=O)CC(N)=O)n1 1068034666 VIXBZRFKWHQITC-WDEREUQCSA-N 300.322 -0.597 30 20 DBED N#Cc1cncc(N2C[C@H]3C(CNC(=O)c4cnon4)[C@@H]3C2)n1 1068180308 HALQXDQDSMGPPX-QWRGUYRKSA-N 311.305 -0.157 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)c2cn(C)nn2)CCOCC1 1070101064 XCWGIMCYFCGVSZ-SNVBAGLBSA-N 320.353 -0.630 30 20 DBED C=CCN[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1c1cn(C)cn1 1070547156 SYLYEVJDSUAQGH-CMPLNLGQSA-N 301.354 -0.078 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)c2ncccn2)CC1 1071010385 JDTVDSCMZUACLM-UHFFFAOYSA-N 303.366 -0.073 30 20 DBED C#CCN1CCC2(C1)CN(C(=O)[C@H]1CCc3nnnn3CC1)C2 1073000732 DQBDHDUUTOTRTM-ZDUSSCGKSA-N 314.393 -0.207 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)COc3cnn(C)c3)C[C@H]21 1074321526 LQXINSCTKLPRBD-HUUCEWRRSA-N 318.377 -0.266 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)Cn3ccccc3=O)C[C@H]21 1074408046 PBBODRXKUAYBQW-HUUCEWRRSA-N 315.373 -0.217 30 20 DBED C#CCOCCC(=O)N[C@@H](C)CCNC(=O)CNC(=O)OC 1075763732 NOFCUALLWIKZCH-NSHDSACASA-N 313.354 -0.607 30 20 DBED C#CCCN1C[C@@H]2CCN(C(=O)c3cc(=O)n(C)cn3)[C@@H]2C1 1075901236 WMOOJCRGSSJVAL-GXTWGEPZSA-N 300.362 -0.050 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2cc(-c3ccn(C)c3)[nH]n2)C1 1077113712 WCOPFBJVSJCGCF-HUUCEWRRSA-N 313.361 -0.177 30 20 DBED C#CCN[C@@H]1C[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C12CCC2 1078818720 BIELRUFPCICVRF-VXGBXAGGSA-N 316.365 -0.973 30 20 DBED C=CCOCC(=O)N(CC)C1CN(C(=O)[C@H]2CCNC(=O)C2)C1 1079490474 QLABTSYATQXNJX-LBPRGKRZSA-N 323.393 -0.226 30 20 DBED CCN(C(=O)C#CC1CC1)C1CN(C(=O)CN2CCOCC2)C1 1079736787 KGKKZEDORRGLQG-UHFFFAOYSA-N 319.405 -0.209 30 20 DBED C#CCCN1C[C@@H](NC(=O)[C@H]2CC(=O)N(CCOC)C2)[C@H](C)C1 1079800638 XCZUWYYCVHLSKF-QLFBSQMISA-N 321.421 -0.059 30 20 DBED C=C(C)[C@H](CC(=O)N1CC(N(CC)C(=O)C(N)=O)C1)OCC 1080404268 ZUGGXYIIOALWTF-LBPRGKRZSA-N 311.382 -0.098 30 20 DBED C#CCCCC(=O)N1CC(N(CC)C(=O)[C@H]2C[C@H]2C(N)=O)C1 1080564330 SPZZHETXRVHNCT-OLZOCXBDSA-N 305.378 -0.029 30 20 DBED C=CCCC(=O)NC1(CO)CCN(C(=O)[C@@H]2CCNC2=O)CC1 1080769461 URMIRYPETKIQQX-GFCCVEGCSA-N 323.393 -0.442 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)c2cn(C)cn2)C[C@H]1O 1081442501 VSLLACJLHHQKKM-TZMCWYRMSA-N 318.377 -0.227 30 20 DBED C=CC(C)(C)C(=O)NC[C@@H]1CN(C(=O)Cc2nc[nH]n2)C[C@H]1O 1081642266 DNSFJYYSEKUPCP-GHMZBOCLSA-N 321.381 -0.505 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2oncc2C)C1 1081728969 DKSXXADRZUJCPO-NWDGAFQWSA-N 323.349 -0.265 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@@H]1CCc2nncn2C1 1082382446 FBYYGDHUMNKLFV-IJLUTSLNSA-N 304.354 -0.821 30 20 DBED CN1CC[C@H](N2C[C@H]3[C@@H](C2)OCCN3C(=O)C#CC2CC2)C1=O 1083077434 HMIJJBBWHDSDBI-SOUVJXGZSA-N 317.389 -0.458 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)Cc1ccc(O)nc1 1083146606 SSVFIPAAYRONRT-UONOGXRCSA-N 301.346 -0.126 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2cc3cc[nH]c(=O)c3s2)C1 1083586655 FZVUCBWWVYOFRC-MNOVXSKESA-N 317.370 -0.002 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2sccc2-n2cnnn2)C1 1083600601 CJGOXRYNZRFJAZ-KOLCDFICSA-N 318.362 -0.868 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)Cn2ncc3cccnc32)C1 1083651841 OHOZUNOILUMZTQ-OLZOCXBDSA-N 301.350 -0.221 30 20 DBED C#CCN[C@H]1C[C@@H](CNC(=O)c2coc(S(N)(=O)=O)c2)C1 1086125426 YVTNUUNXXIKCAJ-JGZJWPJOSA-N 311.363 -0.342 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)[C@@H](C)N3C(=O)CCC3=O)C[C@@H]2C1 1087985946 NARNIYZVUCSINZ-MCIONIFRSA-N 317.389 -0.063 30 20 DBED CC#CCN1CC[C@H](NC(=O)CN2CCCS2(=O)=O)[C@H]1C 1088606235 HEIKZPMOAWTQIS-OLZOCXBDSA-N 313.423 -0.376 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(c2ncnc3[nH]cnc23)C[C@H]1O 1090411126 NZTRIUYNXSNHRR-GHMZBOCLSA-N 314.349 -0.322 30 20 DBED C=C(C)CCN1CC[C@H](NC(=O)CN2CC(=O)NC2=O)[C@H](O)C1 1090654780 LKVADBMBMULNAP-NWDGAFQWSA-N 324.381 -0.944 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2cc3ncccn3n2)[C@@H](O)C1 1090660218 OZVMSNGLOLISAZ-OCCSQVGLSA-N 313.361 -0.082 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(c2ncc(F)cn2)C[C@H]1C 1090702450 AOLSWBARWVLGLU-ZYHUDNBSSA-N 319.340 -0.304 30 20 DBED CNC(=O)CC(=O)N[C@H]1[C@@H]2CN(c3ncc(C#N)cc3F)C[C@@H]21 1093241440 FCXGGXIYAWRHAR-MSRIBSCDSA-N 317.324 -0.221 30 20 DBED CCN1CCO[C@@H](C(=O)NCCNc2nccnc2C#N)C1 1093654619 ICEXPGPCZKRQRX-GFCCVEGCSA-N 304.354 -0.403 30 20 DBED N#Cc1cnc(NCCNC(=O)C[C@H]2CC(=O)NC2=O)c(F)c1 1093717546 NQWCZVFVWZQSCD-VIFPVBQESA-N 319.296 -0.327 30 20 DBED C[C@@H]1OCCO[C@@H]1C(=O)NCc1cn(C2CN(CC#N)C2)nn1 1094296869 HSCPJQQOXSYTRO-GWCFXTLKSA-N 320.353 -0.922 30 20 DBED CN1CCCC[C@H]1C(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1 1094750630 HYMGXRRMOFRVOX-OCCSQVGLSA-N 319.409 -0.604 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)c3nonc3C)CC2=O)C1 1094825258 OUYINQZRVPFYJO-JTQLQIEISA-N 303.322 -0.974 30 20 DBED C=CCN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1ncn(C)c1=O)C2 1094950775 QEYROQKEUREYSX-AVGNSLFASA-N 305.382 -0.263 30 20 DBED N#Cc1nccnc1N1CCCC[C@@H]1CNC(=O)CC(N)=O 1097401572 NSPPIJWTYMBBQK-SNVBAGLBSA-N 302.338 -0.301 30 20 DBED C#CCOCCC(=O)NC[C@@H](C)Nc1ccc2nnnn2n1 1098059428 RGOPQQGKPDNWMD-SNVBAGLBSA-N 303.326 -0.524 30 20 DBED CCc1nc(C#N)cc(N[C@H](C)CNC(=O)[C@H]2CNC(=O)N2)n1 1098249894 DKOXYICSNZMTKU-PSASIEDQSA-N 317.353 -0.491 30 20 DBED C[C@H](CNC(=O)[C@@]1(C)CCNC1=O)Nc1cnc(C#N)cn1 1098261826 SYMJBIDFOFNIDG-OTYXRUKQSA-N 302.338 -0.209 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cn(C)c(=O)nc1O 1098387114 ZANAKHUTNNUCQA-JLLWLGSASA-N 302.334 -0.546 30 20 DBED N#CCNCc1cn([C@H]2CCN(C(=O)C3=COCCO3)C2)nn1 1098608495 YLMCUFNASVZRJP-LBPRGKRZSA-N 318.337 -0.447 30 20 DBED Cn1nncc1C(=O)N1C[C@@H](NCC#N)[C@H](C(F)(F)F)C1 1099247017 PJCUOTCCLJBKBB-HTQZYQBOSA-N 302.260 -0.069 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)c2cc[nH]c2C)[C@H](O)C1 1099760468 JLBLHIDDSCRDAP-ZIAGYGMSSA-N 318.377 -0.762 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)C2(CF)CC2)[C@H](O)C1 1100000768 KUEZPRPCCIULEU-NWDGAFQWSA-N 311.357 -0.963 30 20 DBED C=CCCN1CC[C@@H](NC(=O)C(C)(C)S(C)(=O)=O)[C@H](O)C1 1100022020 GCMMMYPSGOLOML-VXGBXAGGSA-N 318.439 -0.063 30 20 DBED CN1C[C@@H](C(=O)NCCN(C)c2ccc(C#N)nn2)CC1=O 1100383871 QCEGLLOHVVGMES-JTQLQIEISA-N 302.338 -0.621 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1CCNC(=O)CN1C(=O)CNC1=O 1103704092 UBFAYWKUNUHKMX-GHMZBOCLSA-N 307.354 -0.864 30 20 DBED Cc1nn[nH]c1C(=O)NC[C@@H](C)CN=c1cc[nH]c(C#N)n1 1104149766 IGUXLBJTUXNAGK-QMMMGPOBSA-N 300.326 -0.325 30 20 DBED N#Cc1cnc(NC2(CNC(=O)CNC(N)=O)CCCC2)cn1 1104369412 NYVHVWIMYCABEV-UHFFFAOYSA-N 317.353 -0.143 30 20 DBED C=C(C)CNCc1cn(C2CN(C(=O)[C@@H]3COC(=O)N3)C2)nn1 1105224755 BJSPHMGUNFAJQN-LBPRGKRZSA-N 320.353 -0.565 30 20 DBED CN(CCN(C)c1nccnc1C#N)C(=O)CCn1cnnn1 1105446036 JSPNQEXSWJIHHH-UHFFFAOYSA-N 315.341 -0.680 30 20 DBED CN(CCN(C)c1ccc(C#N)nc1)C(=O)C1CS(=O)(=O)C1 1105479327 ADIJMTSCQWJZQS-UHFFFAOYSA-N 322.390 -0.108 30 20 DBED Cn1cnc(C(=O)NC[C@@H](O)CNc2ccc(C#N)nc2)c1 1105791661 DHTGHIJXOUIIFI-LBPRGKRZSA-N 300.322 -0.110 30 20 DBED N#Cc1nc(=NC[C@H](O)CNC(=O)CCOCC2CC2)cc[nH]1 1105973367 XRMXVHMJHORQBR-LBPRGKRZSA-N 319.365 -0.524 30 20 DBED N#Cc1nccnc1NC[C@@H](O)CNC(=O)COCC(F)F 1106032884 WSSXTUPMLSSHQY-QMMMGPOBSA-N 315.280 -0.481 30 20 DBED N#Cc1nccnc1NC[C@@H](O)CNC(=O)[C@@]12COC[C@@H]1C2 1106145866 USGBPWOPBOZZMT-RBZYPMLTSA-N 303.322 -0.726 30 20 DBED C[C@@H](CCNc1cncc(C#N)n1)NC(=O)[C@H]1COCCN1C 1106277552 IPRLIXWKBGHKFE-WCQYABFASA-N 318.381 -0.014 30 20 DBED N#Cc1nc(=NC/C=C/CNC(=O)Cn2ccccc2=O)cc[nH]1 1107193208 KRNZOZLDGQNMCT-NSCUHMNNSA-N 324.344 -0.284 30 20 DBED C#CCNC(=O)CN1CCO[C@@](C)(CNC(=O)CC2CC2)C1 1107681696 NMZFLFPOZQZCQF-INIZCTEOSA-N 307.394 -0.257 30 20 DBED COCC#CCN1CCO[C@@](C)(CNC(=O)c2cncnc2)C1 1107888121 JZEVPMAAPQZKMG-INIZCTEOSA-N 318.377 -0.053 30 20 DBED C[C@@H](CNc1ncccc1C#N)NC(=O)Cn1c(O)nnc1O 1108466280 VFSIXIZDZZHNDU-QMMMGPOBSA-N 317.309 -0.427 30 20 DBED Cc1cc(=O)c(C(=O)N[C@@H](C)CN=c2cc[nH]c(C#N)n2)c[nH]1 1108507692 UVWUUBKYAYXBKW-JTQLQIEISA-N 312.333 -0.003 30 20 DBED C#CCCCC(=O)N[C@@H]1CC(=O)N(C2CN([C@H](C)C(N)=O)C2)C1 1108538556 KHTCKGUTALDHCH-VXGBXAGGSA-N 320.393 -0.935 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C[C@](C)(O)C=C 1109212694 GNMPLQRJELMAEJ-XJIUQZFPSA-N 319.405 -0.216 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1[C@H]2C[C@H]1N(c1ncccc1C#N)C2 1109703910 GQZYYAPGMVOEIK-ZENOOKHLSA-N 323.356 -0.214 30 20 DBED CC(C)[C@@H](O)C(=O)N(C)[C@H]1CN(c2ccc(C#N)cn2)C[C@@H]1O 1111181479 YBJKFXBJPYOCAQ-KCQAQPDRSA-N 318.377 -0.022 30 20 DBED Cn1ncc(C(=O)N(CCO)CCNc2ccc(C#N)nn2)n1 1111484611 KJCHTWBFQLQGLM-UHFFFAOYSA-N 316.325 -0.977 30 20 DBED N#Cc1ccc(NCCN(CCO)C(=O)Cn2nccn2)nc1 1111516943 PZDXCQSTKLRSRQ-UHFFFAOYSA-N 315.337 -0.522 30 20 DBED N#Cc1ccc(NCC2(NC(=O)CC(N)=O)CCOCC2)nn1 1112245428 SBLFYLDRFZHOPE-UHFFFAOYSA-N 318.337 -0.699 30 20 DBED COCCCC(=O)NC[C@@H]1CN(c2nccnc2C#N)C[C@@H]1O 1112705394 QSFCZZJYPTYTGK-YPMHNXCESA-N 319.365 -0.312 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)c2cncnc2)CC1 1112784020 MKQRBTYONXKJCX-GFCCVEGCSA-N 303.366 -0.075 30 20 DBED Cc1cc(C(=O)NC2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]23)no1 1113820561 XZGHAHSZIQBEDH-NXEZZACHSA-N 303.322 -0.717 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@H]1[C@@H]2CN(Cc3ncnn3C)C[C@@H]21 1114193859 IKRJUFKUWQPEIU-DRABBMOASA-N 305.382 -0.311 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@H]1[C@@H]2CN(CC(=O)NC3CC3)C[C@@H]21 1114194839 WNXNWWSMLTYYCP-OJDYBEQGSA-N 307.394 -0.362 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)C3(CC#C)CCC3)[C@H]2C1 1114397376 MBGPAJGBZYQKJW-FOLVSLTJSA-N 313.401 -0.024 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CN(c2ccc(C#N)nn2)CC1(C)C 1114444198 QPOMUWLVUYMCKE-LLVKDONJSA-N 316.365 -0.185 30 20 DBED N#Cc1cnccc1N1C[C@H]2[C@H](CNC(=O)Cn3cnnn3)[C@H]2C1 1114508534 NRMJZSLFHIYVQP-XYYAHUGASA-N 324.348 -0.562 30 20 DBED CCC[C@H](C(=O)NC1[C@@H]2CN(CC#N)C[C@@H]12)S(N)(=O)=O 1114621351 IHMDOMRIRWFOFO-OPRDCNLKSA-N 300.384 -0.986 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)N[C@H]1[C@@H]2CN(CCCO)C[C@@H]21 1115302962 WREJUYUNBNKYIQ-ITGUQSILSA-N 324.425 -0.321 30 20 DBED COC(=O)NCC(=O)N(C)C[C@@H](C)Nc1cnc(C#N)cn1 1115620604 GXUOGTIXEQVBCB-SECBINFHSA-N 306.326 -0.037 30 20 DBED C[C@H](CN(C)C(=O)[C@H]1COCCO1)N=c1cc[nH]c(C#N)n1 1115654652 HSBKBZMUEKIAIY-GHMZBOCLSA-N 305.338 -0.556 30 20 DBED CNC(=O)C1CN(C(=O)C(=O)Nc2ccc(OCC#N)cc2)C1 1116639062 GJROVQNKGXXEAW-UHFFFAOYSA-N 316.317 -0.268 30 20 DBED CC#CCCNC(=O)C(=O)Nc1cnn(CC(=O)NC2CC2)c1 1116730637 XVZBRKLGBCHEHX-UHFFFAOYSA-N 317.349 -0.370 30 20 DBED O=C(NCCN/C(O)=C1\N=CC=CC1=O)N[C@H](CO)CC1CC1 1116825567 ILSRHCVICPQMCQ-JKJHPVACSA-N 322.365 -0.027 30 20 DBED Cc1nc2n(n1)C[C@H](NC(=O)C(=O)NCC1(CC#N)CC1)CC2 1117248661 KMPVCEJMXRLJCK-LLVKDONJSA-N 316.365 -0.172 30 20 DBED C[C@H](CN(C)C(=O)c1cnc(O)n1C)N=c1cc[nH]c(C#N)n1 1120410168 ZJNKEPFRCQTDND-SECBINFHSA-N 315.337 -0.218 30 20 DBED Cc1cc(=N[C@H](CO)CNC(=O)c2cnccn2)c(C#N)c[nH]1 1121036800 PXRNIJDJXANKMN-LBPRGKRZSA-N 312.333 -0.324 30 20 DBED Cn1nccc1C(=O)NC[C@@H](CO)Nc1ccc(C#N)nn1 1121178314 SLTINCAHYMONRY-JTQLQIEISA-N 301.310 -0.715 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@H](CO)Nc1cc(C)nc(CO)n1 1121406309 SSHWXSBNNXNYEK-NHYWBVRUSA-N 324.381 -0.507 30 20 DBED CCN(CC)CC(=O)NC[C@H](CO)Nc1cncc(C#N)n1 1121668368 HFZZLNXQLNQPBG-GFCCVEGCSA-N 306.370 -0.421 30 20 DBED Cc1cc(=N[C@@H](CO)CNC(=O)CCCC(N)=O)c(C#N)c[nH]1 1121710401 BMGZMDFLOKEVJC-GFCCVEGCSA-N 319.365 -0.772 30 20 DBED CCN(C)CCC(=O)NC[C@H](CO)Nc1cncc(C#N)n1 1122029865 YDPHBRSFTIGYBB-GFCCVEGCSA-N 306.370 -0.421 30 20 DBED COCCCOCC(=O)NC[C@@H](CO)N=c1cc[nH]cc1C#N 1122053243 WVTZHALDQPMBBM-ZDUSSCGKSA-N 322.365 -0.683 30 20 DBED N#Cc1cnc(N[C@H](CO)CNC(=O)Cn2nccn2)c(F)c1 1122098413 RJUFYUNPSDZGJI-JTQLQIEISA-N 319.300 -0.727 30 20 DBED CCc1nocc1C(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1 1122494941 WICRUBUEISQBOM-SECBINFHSA-N 316.321 -0.477 30 20 DBED CNC(=O)CC(=O)N1C[C@H](Nc2nccnc2C#N)C[C@@H]1C 1123200406 AKVBEDGNMMUZIT-VHSXEESVSA-N 302.338 -0.114 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)Cc1ccon1 1124201985 YSVURJYVGCUUBF-NSHDSACASA-N 316.321 -0.768 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]cc1C#N)C(=O)CCCC(N)=O 1124393168 DDDNZBOWYKNYIW-GFCCVEGCSA-N 319.365 -0.738 30 20 DBED Cc1n[nH]cc1C(=O)N(C)C[C@H](O)CNc1cncc(C#N)n1 1124628129 OFGBDZNTDBKICA-LLVKDONJSA-N 315.337 -0.075 30 20 DBED C#CCNC(=O)CC(=O)NCCN[C@@H]1CCN(C(C)(C)C)C1=O 1125997923 HDTYKYBFUNDHGS-GFCCVEGCSA-N 322.409 -0.769 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)Cc1cncnc1 1126403047 QNMPGNKDPRFXCV-UHFFFAOYSA-N 318.381 -0.513 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1cn(CCOC)nc1C 1127206579 QLWBRSHHXFZJSB-UHFFFAOYSA-N 323.397 -0.540 30 20 DBED C#CCC1(C(=O)NCCNCCN(C)S(C)(=O)=O)CCC1 1129124994 JLIGKCQNVXTZEX-UHFFFAOYSA-N 315.439 -0.223 30 20 DBED C=CCN[C@@H]1CN(C(=O)[C@H](COC)OC)C[C@@H]1n1ccnn1 1130002650 LQZJUPVEHIKULU-AGIUHOORSA-N 309.370 -0.533 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1cnn(C)c1CCC 1130775760 KSFQHSTWIAFALX-UHFFFAOYSA-N 307.398 -0.006 30 20 DBED C#CCN1C[C@@H](F)C[C@@H]1c1n[nH]c(CNC(=O)CC(=O)NC)n1 1131148982 PKKJGINXWRGPNU-VHSXEESVSA-N 322.344 -0.725 30 20 DBED C#CCOCCC(=O)N1C[C@H]2C[C@@H]3CN(C[C@@H](C)O)C[C@]2(C1)O3 1131227431 OPSXBWPVFOHLIR-KCYZZUKISA-N 322.405 -0.291 30 20 DBED C#CCCN1C[C@H]2C[C@H]3CN(C(=O)CCCC(N)=O)C[C@@]3(C1)O2 1131297600 GXJSKZFWXKFCNZ-JJRVBVJISA-N 319.405 -0.033 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1ccnc2ccncc12 1131848476 SVBIZCAGGHDXET-UHFFFAOYSA-N 311.345 -0.301 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)COC[C@@H]1CCOC1 1134655964 QSIGSJHSSBWTFC-QWHCGFSZSA-N 313.398 -0.564 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)CCc1cnn[nH]1 1135497828 VRGVFGUYZDGPMI-RYUDHWBXSA-N 320.397 -0.640 30 20 DBED C=CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)Cc1nc[nH]n1 1135906729 FEWCSNDWUCDWIC-GHMZBOCLSA-N 308.386 -0.478 30 20 DBED CCN(CC(=O)NC(N)=O)[C@H](C)CNC(=O)c1ccc(C#N)[nH]1 1152789527 JOBOKHLTKROTEB-SECBINFHSA-N 320.353 -0.479 30 20 DBED C=CCCOCC(=O)NCCNCC(=O)NC(=O)NC1CC1 1153085626 FIAPJOJXIXJRRY-UHFFFAOYSA-N 312.370 -0.727 30 20 DBED C=CCNC(=O)CN(CC)[C@H](C)CNC(=O)[C@@]1(C)CNC(=O)C1 1154448439 OSOJFZFGHJUOIZ-MLGOLLRUSA-N 324.425 -0.359 30 20 DBED C[C@@H](NC(=O)CNCCCNC(=O)C#CC1CC1)C(=O)N(C)C 1157719048 POWXTLCZZXIFMK-GFCCVEGCSA-N 322.409 -0.911 30 20 DBED N#CCNC(=O)CNCCCNC(=O)[C@H]1CCCc2c[nH]nc21 1158092893 JQBRMWDOKFCXPH-LBPRGKRZSA-N 318.381 -0.435 30 20 DBED COc1ccncc1CC(=O)NCCCNCC(=O)NCC#N 1160837404 CDGFIFOTJCWTTH-UHFFFAOYSA-N 319.365 -0.632 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1cn(C(C)C)cn1 1163261953 BWJSWKAOUUGEIS-UHFFFAOYSA-N 305.382 -0.077 30 20 DBED C=C(C)CN(CC)C(=O)CNCCCNC(=O)[C@H]1CCNC1=O 1163943658 KLYQZPUDKKTPTD-CYBMUJFWSA-N 324.425 -0.357 30 20 DBED C=CCNC(=O)CNCCCNC(=O)c1nnn(CC)c1CC 1166526354 VFYGVXXPWPCZLJ-UHFFFAOYSA-N 322.413 -0.128 30 20 DBED N#CCNC(=O)CNCCCNC(=O)[C@H]1Cc2ccncc2C1 1166721031 GBDWFAPQWQKALN-ZDUSSCGKSA-N 315.377 -0.468 30 20 DBED C#CCNC(=O)[C@H](C)NCC1(CCNC(=O)c2cnon2)CC1 1167494802 BUTFRBRBMKFHTB-NSHDSACASA-N 319.365 -0.303 30 20 DBED CCNC(=O)NC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)C#CC2CC2)C1 1182388090 AFUHGEGHYKAUFN-DGCLKSJQSA-N 320.393 -0.176 30 20 DBED C#CCNC(=O)CNC[C@H]1CCN(C(=O)CCN(C)C)C[C@@H]1C 1185071959 CDDGWFZQOYTSKV-LSDHHAIUSA-N 322.453 -0.238 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@@H](NCC(=O)N(C)C)C2)cn1 1187207489 CETQUIJKVKSCQT-CQSZACIVSA-N 300.362 -0.045 30 20 DBED Cc1cc(CC(=O)N2CC[C@H](N(C)CC(=O)NCC#N)C2)no1 1189419860 RVUNXAHXAUPSHB-ZDUSSCGKSA-N 319.365 -0.302 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2cncnc2)C1 1189760067 HAJMVNZCPSNIPY-CYBMUJFWSA-N 303.366 -0.075 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(CCC2CCCC2)C[C@H]1O 1192397072 UNCIAVWHNDEBRC-HUUCEWRRSA-N 321.421 -0.133 30 20 DBED CCS(=O)(=O)N(C)CC(=O)N1CC[C@@H](N(C)CC#N)C1 1193204814 KZMQRKRVSKKIAJ-LLVKDONJSA-N 302.400 -0.676 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(CCCOC)C[C@H]1O 1193850217 VSHRLNNPFQCVIP-QLFBSQMISA-N 309.410 -0.718 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)c2coc(OC)n2)C1 1195029296 CIUZPTGERAEVKK-ZYHUDNBSSA-N 311.338 -0.339 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)C2(C)CCOCC2)C1 1196940974 YLJCYHUHKZPOEH-ZIAGYGMSSA-N 310.394 -0.386 30 20 DBED C=C(C)CN1CCCN(C(=O)CS(=O)(=O)N(C)C)CC1 1197984885 RKATWYLLXNDIFB-UHFFFAOYSA-N 303.428 -0.012 30 20 DBED COc1ccc(OCC(=O)N[C@@H]2CN(CC#N)C[C@H]2O)cc1 1198591926 DVWZKZRAXQFRCX-ZIAGYGMSSA-N 305.334 -0.241 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CCN(C(=O)c2cnsn2)CC1 1199491768 YJOAIETZRPBCSC-SNVBAGLBSA-N 321.406 -0.130 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CCN(C(=O)CCOCC#C)CC1 1200523109 HWQDYJUBOASWQY-CQSZACIVSA-N 319.405 -0.255 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)[C@H]2CCC(=O)N2C)CC1 1202149416 IBTIRLLMMSBHJI-CYBMUJFWSA-N 322.409 -0.510 30 20 DBED C=CCOCCN[C@@H]1C[C@@H](NC(=O)CNC(N)=O)C12CCC2 1202431129 ZLSXSECQVJPHPR-VXGBXAGGSA-N 310.398 -0.126 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@@H](NC(=O)c2cnon2)C12CCC2 1203508593 ZHRDRWFTMHRCGP-NWDGAFQWSA-N 317.349 -0.550 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC(CNCC(=O)NCC)CC1 1205264408 FMQVCIMMUUHUIG-CYBMUJFWSA-N 309.410 -0.011 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCN(C(=O)COCC2CC2)C1 1207498598 LXPZAHNQKZZNMR-CYBMUJFWSA-N 308.382 -0.367 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)[C@@H]2CC23CCC3)[C@H](OC)C1 1213493872 KRMKOGPRHYEBJQ-BFHYXJOUSA-N 319.405 -0.259 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@@H](NCc2cnn(C)n2)[C@H](C)C1 1214602128 KQBRWHQIXHVOPO-MBNYWOFBSA-N 305.382 -0.210 30 20 DBED C#CCN[C@@H]1CN(C(=O)CNC(=O)c2ccncc2)C[C@H]1C 1214686208 MVQHJPZLEZHLGN-TZMCWYRMSA-N 300.362 -0.119 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)Cc2cc(C)on2)C1 1219389456 AYGJODWLSDDRDN-KGLIPLIRSA-N 307.350 -0.663 30 20 DBED N#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C(F)=C2CCCC2)C1 1219455653 UCAKFGMONBNZGC-NEPJUHHUSA-N 324.356 -0.415 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(CCn2cccn2)C[C@@H]1O 1219517044 OFNNIMUDTHMDLQ-VNHYZAJKSA-N 308.382 -0.629 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)c2c(C)nn(C)c2C)C1 1220097616 VJFSTUIPXYZEHO-KGLIPLIRSA-N 320.393 -0.538 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)c2ncccc2OC)C1 1220850619 QTEQREASEVODLS-OLZOCXBDSA-N 319.361 -0.485 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)c2[nH]cnc2C)C1 1221187972 GINGICBKYNJQLO-TUAOUCFPSA-N 321.381 -0.816 30 20 DBED N#CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3cccnn3)[C@@H]2C1 1221886587 MYOGFABFFWAJAH-DGCLKSJQSA-N 314.349 -0.737 30 20 DBED C#CCNC(=O)CC(=O)NCC1CCN(CC#CCOC)CC1 1222908358 XZWYBYHHXXYNNM-UHFFFAOYSA-N 319.405 -0.396 30 20 DBED CC[C@H](C(=O)NCC1CCN(CC(=O)NCC#N)CC1)N(C)C 1223604441 HZRHHLZQNDLYOK-CQSZACIVSA-N 323.441 -0.205 30 20 DBED CN(C)CCCC(=O)NCC1CCN(CC(=O)NCC#N)CC1 1224253220 IFVKAWTUWYWPLN-UHFFFAOYSA-N 323.441 -0.204 30 20 DBED C=CCNC(=O)[C@H](C)N1CCC(NC(=O)CC(=O)NC)CC1 1227050109 RUWMIYLBZHDEBL-NSHDSACASA-N 310.398 -0.606 30 20 DBED C#CCN1CCS(=O)(=O)[C@H](CCNC(=O)c2cc[nH]c2)C1 1230463224 YCDGVNLOJLPWOP-CYBMUJFWSA-N 309.391 -0.133 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC[C@H]1CN(C)C(=O)CN(C)C(C)=O 1230829049 HQQXSXYNGUIQAO-OCCSQVGLSA-N 324.425 -0.312 30 20 DBED C#CCN1CCC(C(=O)N[C@H]2CCN(C[C@@H](O)COC)C2)CC1 1267735445 VKGYRPGPOARWDX-JKSUJKDBSA-N 323.437 -0.471 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)NC[C@@H]1CCC=CO1 1323309661 JZYOSNYUHZYGRL-NSHDSACASA-N 316.379 -0.488 30 20 DBED C=CCCN(C)C(=O)C(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 1323651808 KFSULHMQPYJXIZ-NSHDSACASA-N 317.411 -0.581 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)C(=O)NCC[C@@H]2CCCCO2)C1 1326098172 UBURWZFBRWHSJU-SWLSCSKDSA-N 309.366 -0.061 30 20 DBED C[C@]1(CN)CCN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1 1330567887 NTMGAPTZBPROON-CZUORRHYSA-N 319.409 -0.618 30 20 DBED CN(Cc1ccncc1)C(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1332355454 GTDLWPWOPJKDDE-HNNXBMFYSA-N 302.334 -0.083 30 20 DBED C#CCNC(=O)CN1CCN(c2nccc(C(=O)OC)n2)CC1 1337837133 PQCJYLOTSSYBAJ-UHFFFAOYSA-N 317.349 -0.865 30 20 DBED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1cnc2c(c1)COCC2 1344553533 TZTVYUYYZXTMBE-CYBMUJFWSA-N 317.345 -0.017 30 20 DBED C=CCNC(=O)[C@H](C)S(=O)(=O)c1nncn1CCCOC 1345376151 CFNSLHXULNEFRL-JTQLQIEISA-N 316.383 -0.221 30 20 DBED C=CCNC(=O)[C@H](C#N)C(=O)c1nnn(-c2ccn(C)n2)c1C 1346088176 QYYFXHGTSMPGNX-SNVBAGLBSA-N 313.321 -0.066 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)NC[C@@]1(C)CCC(=O)N1 1349405479 BDWAOFCWGMSNDU-IAQYHMDHSA-N 309.366 -0.684 30 20 DBED CN(C)C(=O)NCCN(C)C(=O)C(=O)N1CCC[C@@H](C#N)C1 1352968394 JVCYRSWZHUNONC-NSHDSACASA-N 309.370 -0.522 30 20 DBED C=CCn1nnnc1N1CCC(C(=O)N2CCOCC2)CC1 1355457449 KWSFXZQIHRDQME-UHFFFAOYSA-N 306.370 -0.066 30 20 DBED CC[C@H](NC(=O)CCn1cc(C#N)c(O)nc1=O)C(=O)OC 1362182527 VNJIZYNFFFVYHR-VIFPVBQESA-N 308.294 -0.722 30 20 DBED CCN(CCNC(=O)c1ccc(C(N)=O)cn1)C(=O)[C@H](C)C#N 1373860786 BXQRGJQOKLKHFN-SNVBAGLBSA-N 317.349 -0.082 30 20 DBED CS(=O)(=O)CCCN1CC(CNC(=O)c2cc(C#N)c[nH]2)C1 1391470430 SNWZCUKQKLDANZ-UHFFFAOYSA-N 324.406 -0.017 30 20 DBED Cc1nn[nH]c1C(=O)NC[C@@H](O)CNCc1cccc(C#N)c1 1406247882 CSZWHDFTYCOXLA-ZDUSSCGKSA-N 314.349 -0.135 30 20 DBED C[C@H]1[C@@H](C)N(C(=O)Cn2cc(C#N)c(O)nc2=O)CC[S@]1=O 1412089252 WFCTWJWHSNAEFP-QURMUULBSA-N 324.362 -0.812 30 20 DBED CC(=O)N[C@@H](C)C(=O)N1CC[C@@H]1CNC(=O)c1cc(C#N)c[nH]1 1417019601 FTKJRGYEZVQNGA-JOYOIKCWSA-N 317.349 -0.258 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCN1CCN([C@@H]2CCN(C)C2=O)CC1 1420902087 RKTMDIIRIDMTNB-UONOGXRCSA-N 321.425 -0.547 30 20 DBED COC(=O)[C@@](C)(CO)NS(=O)(=O)Cc1cccc(C#N)c1 1434576301 FWUFEBMBTUQASP-CYBMUJFWSA-N 312.347 -0.098 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(O)(CN[C@@H](C)c2nnnn2C)CC1 1440631049 XMNDZWVXWGNDEE-QWRGUYRKSA-N 321.385 -0.626 30 20 DBED CNC(=O)NCCC(=O)N1CC[C@@H](CNC(=O)[C@H](C)C#N)C1 1495183633 CZPDSQRAXQCPRX-MNOVXSKESA-N 309.370 -0.570 30 20 DBED Cc1n[nH]c(C)c1CC(=O)NC[C@@H](O)CNC(=O)[C@@H](C)C#N 1501520168 XXHWWOYAIPMHME-GZMMTYOYSA-N 307.354 -0.678 30 20 DBED C[C@H](C#N)C(=O)NC1CC(N(C)C(=O)CNC(=O)C2CC2)C1 1511915279 KOPXCVWUTBARSU-OIKLOGQESA-N 306.366 -0.222 30 20 DBED CC[C@@H](CNC(=O)CCn1cnccc1=O)NC(=O)[C@H](C)C#N 1531452959 UOHVTRPCTADFIA-NEPJUHHUSA-N 319.365 -0.196 30 20 DBED CCn1cc(C(=O)NC[C@H](O)CNC(=O)[C@H](C)C#N)c(C)n1 1533264117 IBEDLFICWYKLAS-MWLCHTKSSA-N 307.354 -0.422 30 20 DBED CCN(CCC#N)S(=O)(=O)NCc1cc(C(=O)O)no1 1573771140 PCBAKOPUPHYLJN-UHFFFAOYSA-N 302.312 -0.057 30 20 DBED C#C[C@@H](NC(=O)C[C@H]1CNCCS1(=O)=O)C1CCOCC1 1574505556 TYTJSFBGEUWMBF-QWHCGFSZSA-N 314.407 -0.692 30 20 DBED C#CC[C@@H](NS(=O)(=O)C[C@@H](OC)C1CCOCC1)C(=O)O 1588423547 KKNJEXCYPJLHAM-VXGBXAGGSA-N 319.379 -0.176 30 20 DBED C=C[C@H](CO)NC[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 1588728882 WXVBYCDEJNJDFA-NEPJUHHUSA-N 305.338 -0.257 30 20 DBED C[C@@H](C(=O)NCC(=O)O)N1CCN(c2cc(C#N)ccn2)CC1 1589400467 MZGZMPCUPWGLLT-NSHDSACASA-N 317.349 -0.335 30 20 DBED N#Cc1ccncc1N1CCN(CC(=O)NCC(=O)O)CC1 1594631631 KABKYWDGMHXKDB-UHFFFAOYSA-N 303.322 -0.724 30 20 DBED N#Cc1cc(NC(=O)C(=O)NCCOCC(=O)O)ccc1F 1601090369 WZKAQWVFNMXPEE-UHFFFAOYSA-N 309.253 -0.147 30 20 DBED C#CCN(CC(=O)O)C(=O)c1ccc(S(N)(=O)=O)s1 1602692045 CGYSLPOVXUCYIS-UHFFFAOYSA-N 302.333 -0.445 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCc2cncn2C1)NCC(=O)NCC#N 1752882596 YPGUJZFYXBNLHS-RYUDHWBXSA-N 318.381 -0.820 30 20 DBED C=CCNC(=O)CNC[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1 1752957773 ACQKSUCWWIHINC-RYUDHWBXSA-N 308.382 -0.995 30 20 DBED C#CCNC(=O)CN1CC(CNC(=O)[C@@H](OCC)C(C)C)C1 1753403340 SBWMEYPKGITFQK-HNNXBMFYSA-N 309.410 -0.155 30 20 DBED COCC#CCN1CC(CNC(=O)[C@@]2(C)CCN(C(C)=O)C2)C1 1753413560 HNKJXTXJXNIJRQ-KRWDZBQOSA-N 321.421 -0.057 30 20 DBED N#CCNC(=O)CNC[C@H]1CCC[C@H]1NC(=O)C1CCOCC1 1753878860 XKRKCWCMFULVMX-ZIAGYGMSSA-N 322.409 -0.073 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NC/C=C\CN[C@H]1CCNC1=O 1754179321 FNVAGMKSTSXSDM-MRYXHSKJSA-N 322.409 -0.392 30 20 DBED CN(C(=O)c1conc1C1CC1)C1CN(CC(=O)NCC#N)C1 1754581419 GHSKTZBVHQZVIS-UHFFFAOYSA-N 317.349 -0.052 30 20 DBED C=CCOCC(=O)NC[C@]1(O)CCN([C@H](C)c2nncn2C)C1 1754745562 CKIPSSUIFHXRJD-IUODEOHRSA-N 323.397 -0.368 30 20 DBED C#CCN1CC[C@](O)(CNC(=O)[C@@H](NC(C)=O)C2CCCC2)C1 1754753311 YNGKULPBLZWFFV-RDJZCZTQSA-N 321.421 -0.133 30 20 DBED NC(=O)C(=O)NC[C@]1(O)CCN(CC#Cc2ccc(F)cc2)C1 1754756986 ACOFCVOYTGYMSR-MRXNPFEDSA-N 319.336 -0.785 30 20 DBED C#CCNC(=O)CN1CC[C@](O)(CNC(=O)c2nccs2)C1 1754760416 PASJKWZVEBMGCQ-AWEZNQCLSA-N 322.390 -0.941 30 20 DBED CC#CCN1CC[C@](O)(CNC(=O)[C@@H](C)CS(C)(=O)=O)C1 1754762856 ZIKAHRWMQMCUNQ-JSGCOSHPSA-N 316.423 -0.757 30 20 DBED CC[C@H](NC(C)=O)C(=O)NC[C@H]1CCC2(CN(CC#N)C2)O1 1755055862 PVOWLCYIOMHNES-OLZOCXBDSA-N 308.382 -0.226 30 20 DBED Cn1nnnc1CNCC1(NC(=O)C#CC2CC2)CCOCC1 1755095127 WTAXRIHHIVNDIF-UHFFFAOYSA-N 318.381 -0.622 30 20 DBED C#CCCNCC1(O)CCN(C(=O)[C@H](C)[C@@H]2CCC(=O)N2)CC1 1755153333 XZBPYJTVDQNMHQ-KGLIPLIRSA-N 321.421 -0.133 30 20 DBED COCC#CCN1CCO[C@@]2(CCN(C(=O)CNC(C)=O)C2)C1 1755399963 VXJGGODWTGKPNX-INIZCTEOSA-N 323.393 -0.924 30 20 DBED C#CCCN[C@@H]1CCN(C(=O)CCS(=O)(=O)NC)[C@H]1C 1755653179 FDNHILXVGUBJDQ-NWDGAFQWSA-N 301.412 -0.472 30 20 DBED C#CCNC[C@H]1CC[C@H](NC(=O)CN(C)CC(=O)NC(C)C)C1 1755738220 SAVBNTQWTGCMAP-GJZGRUSLSA-N 322.453 -0.050 30 20 DBED C=CCNC(=O)CNC[C@H](O)CN(C)C(=O)c1ccnnc1C 1755790254 FMJSRPNXMXZKIE-LBPRGKRZSA-N 321.381 -0.890 30 20 DBED C=C[C@@](C)(CC)C(=O)N[C@@H](CO)CNC(=O)c1c[nH]c(=O)cn1 1756544614 BOLJCPPJUWCPGN-BMIGLBTASA-N 322.365 -0.421 30 20 DBED C=CCCOCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ocnc2C)C1 1756988772 ZYECARPZQIOMRD-VXGBXAGGSA-N 323.349 -0.123 30 20 DBED CO[C@@H]1CN(C(=O)C#CC(C)C)C[C@H]1NC(=O)c1nc[nH]n1 1757141776 CUMPRRBWXNIZBG-GHMZBOCLSA-N 305.338 -0.580 30 20 DBED NS(=O)(=O)CCNN=Cc1cn(CC(=O)O)c2ccccc12 1776047173 YLNNVQXCGSRDEO-UHFFFAOYSA-N 324.362 -0.062 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cncnc1C)CCO2 1783055367 XYNDSXZONFEAKQ-INIZCTEOSA-N 314.345 -0.138 30 20 DBED CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)CC1 1795012745 CCXFYCDSDXBSKY-GNXNZQSNSA-N 320.345 -0.536 30 20 DBED C[C@H](S)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NNC(=O)C1 1798376618 VHRRFLDZZZWKEL-QEYWKRMJSA-N 324.406 -0.181 30 20 DBED C[C@@H](CN)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)S 1800983932 AVHTVNOFCVPEGI-MJDLHHQISA-N 315.439 -0.511 30 20 DBED C#CC(=O)N1CC2(CCCN2C(=O)[C@H](C)CS(C)(=O)=O)C1 1841619228 GOCXYNVNHSZNLC-LLVKDONJSA-N 312.391 -0.496 30 20 DBED N#CCC(=O)N1CCCC12CN(C(=O)CCN1CCOCC1)C2 1842621679 BMUZBWUKDPPDHF-UHFFFAOYSA-N 320.393 -0.174 30 20 DBED C#CCCCNC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 174085952 IONVEEFFZMDFFG-UHFFFAOYSA-N 306.366 -0.468 30 20 DBED C=CCNC(=O)[C@H](C)Nc1cnn(CC(=O)N2CCOCC2)c1 186344637 DTAXCMMMTYTIRI-LBPRGKRZSA-N 321.381 -0.156 30 20 DBED N#Cc1ccc(S(=O)(=O)NC[C@@H]2CCCS2(=O)=O)cn1 222196118 RDDNGKYOJRBZJH-JTQLQIEISA-N 315.376 -0.191 30 20 DBED CO/N=C(/C(=O)N(CC(=O)OC)CC(=O)OC)c1ccco1 266098958 CODGBKMWYKOXPH-WYMLVPIESA-N 312.278 -0.195 30 20 DBED CN(C)Cc1ccc(/C(N)=N/OCc2nc(N)nc(N)n2)cc1 267012945 NEGQGOIFGPLQBL-UHFFFAOYSA-N 316.369 -0.065 30 20 DBED N#Cc1ccnc(N2CCN(C(=O)C[C@@H]3CNCCO3)CC2)c1 269115000 SMAOUTXAJXBMRI-CQSZACIVSA-N 315.377 -0.020 30 20 DBED COCCCS(=O)(=O)NCC(=O)N(CCC#N)CCC#N 269298664 XLKAYYCKXRDKGZ-UHFFFAOYSA-N 316.383 -0.402 30 20 DBED N#Cc1ccc(S(=O)(=O)NC[C@H](CO)[C@@H]2CCOC2)cn1 281096095 WKNZMFHIZDEGPQ-GHMZBOCLSA-N 311.363 -0.123 30 20 DBED C[C@H](NC(=O)NCCn1cnc(C#N)n1)[C@@H](C)N1CCOCC1 287548500 VJTLRVJXBJUYMD-NWDGAFQWSA-N 321.385 -0.442 30 20 DBED Cc1nc2n(n1)C[C@H](/N=C(/O)N1CCN3CCOC[C@H]3C1)CC2 329767856 DHVMRBUDOIQBSL-CHWSQXEVSA-N 320.397 -0.168 30 20 DBED CCN(CCC#N)S(=O)(=O)NCCN1C(=O)CCC1=O 337055095 AUTPMTSSPQTSSQ-UHFFFAOYSA-N 302.356 -0.795 30 20 DBED COCCN(CCC#N)S(=O)(=O)N(C)[C@@H](C)C(=O)OC 337154048 MMFGZXSKYIZLSL-JTQLQIEISA-N 307.372 -0.413 30 20 DBED C=CC[C@@H](CO)CNC(=O)CN1C(=O)C(=O)N(CC=C)C1=O 342191398 DXYHKFQATKRREP-SNVBAGLBSA-N 309.322 -0.736 30 20 DBED C=CCN1CC[C@H](N(C)c2ccc(S(N)(=O)=O)cn2)C1=O 343044608 IFPIUTCNTVLVMS-NSHDSACASA-N 310.379 -0.048 30 20 DBED C=CCNC(=O)CNC(=O)C(=O)Nc1cc(C2CC2)n(CC)n1 347225958 CJZGYKLOLXARRT-UHFFFAOYSA-N 319.365 0.137 30 20 DBED CC#CCN(C)S(=O)(=O)CCCS(=O)(=O)N(C)CC#N 349455608 IAACAUUZRFOMLA-UHFFFAOYSA-N 321.424 -0.553 30 20 DBED N#CCC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 355739399 FSCCOZLQHQCQIL-UHFFFAOYSA-N 312.307 -0.097 30 20 DBED C[C@@H](C(=O)N1CCO[C@@H](C#N)C1)N1C(=O)NC2(CCCC2)C1=O 363391123 OVGADWHTSPZLAV-QWRGUYRKSA-N 320.349 -0.010 30 20 DBED N#CC1CCN(C(=O)NCCN2CCCS2(=O)=O)CC1 408085124 WYUCIDJTBNJPIM-UHFFFAOYSA-N 300.384 -0.033 30 20 DBED C[C@@H](C#N)S(=O)(=O)N1CCN(C(=O)CN2CCCC2)CC1 416383364 HKAAXTRVFRURCZ-LBPRGKRZSA-N 314.411 -0.532 30 20 DBED C=CCCO[C@H](C)C(=O)N1CCS(=O)(=O)[C@H](C(=O)O)C1 424238995 JEMJLPPWNRBGIZ-ZJUUUORDSA-N 305.352 -0.322 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N1CCC2(CC1)CNC(=O)N2C 425533595 AFXJZFOXWDXPFC-LLVKDONJSA-N 323.397 -0.124 30 20 DBED N#Cc1ncn(CC(=O)N2CCC[C@H]2CN2CCOCC2)n1 426184536 VJKYVFVTOVWKSF-LBPRGKRZSA-N 304.354 -0.527 30 20 DBED N#CCCN(CCN1CCOCC1)C(=O)Cn1cnc(C#N)n1 426432591 HZUCEQIFINIKOV-UHFFFAOYSA-N 317.353 -0.776 30 20 DBED N#Cc1ncn(CC(=O)N2CCS(=O)(=O)[C@@H]3CCCC[C@@H]32)n1 426875841 QCUQOKYKQQUHPL-WDEREUQCSA-N 323.378 -0.282 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@H](CO)[C@H]2C)C1=O 427845274 XEDJNSHBGPRNDN-NXEZZACHSA-N 309.322 -0.808 30 20 DBED COCCN([C@@H](C)C(N)=O)S(=O)(=O)c1cccnc1C#N 428250785 ZKGONXOWWCAEIR-VIFPVBQESA-N 312.351 -0.536 30 20 DBED C#CCN(CC#CC)C(=O)NCCn1cc(C(=O)OC)nn1 491692264 AQBPJLGBAKTGPB-UHFFFAOYSA-N 303.322 -0.267 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCN(S(=O)(=O)C2CC2)CC1 529722234 SJKLFFJYIBARPK-CYBMUJFWSA-N 302.396 -0.050 30 20 DBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)CN1CCCC1=O 537153908 HILVMNLXPSNVTL-UHFFFAOYSA-N 304.354 -0.123 30 20 DBED COc1cc(C#N)ccc1S(=O)(=O)N[C@@H](CO)C(=O)O 548207642 MINBFYQKVAPANY-QMMMGPOBSA-N 300.292 -0.709 30 20 DBED C[C@H](CC(=O)O)N(CCO)S(=O)(=O)c1cncc(C#N)c1 558593148 TUOBWFRAIJJAFP-SECBINFHSA-N 313.335 -0.201 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@H]1C=C[C@H](C(=O)O)C1 563227203 TZZNLGOGFGMRAN-QWRGUYRKSA-N 317.367 -0.288 30 20 DBED CN(CCC#N)S(=O)(=O)N[C@@H](C(=O)O)c1ccnn1C 569095627 UMQZXWCOKQBHHP-SECBINFHSA-N 301.328 -0.774 30 20 DBED C[C@H]1CC(=O)NCCN1C(=O)C(=O)NCc1cccc(C#N)c1 585711559 CXJKPFYPNAAJQZ-NSHDSACASA-N 314.345 -0.089 30 20 DBED CN(C)S(=O)(=O)NCC(=O)N1CCCC(C)(C)[C@@H]1C#N 590449170 VLGQEEUDVBGVNR-JTQLQIEISA-N 302.400 -0.077 30 20 DBED N#Cc1ccc(CNC(=O)C(=O)N2C[C@@H]3CNC[C@@H]3C2)c(F)c1 591388927 YXMRXRLLCJHRHM-BETUJISGSA-N 316.336 -0.009 30 20 DBED CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1ncc(C#N)cc1C 598020785 NDCRCEANLAKFAI-WDEREUQCSA-N 309.347 -0.197 30 20 DBED CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1ccc(C#N)c(O)c1 598029817 SPLNQDFZQYWYQX-CMPLNLGQSA-N 310.331 -0.194 30 20 DBED CC(C)(CNC(=O)N1CCO[C@H](C#N)C1)NS(C)(=O)=O 609470776 NXYDNNUXMZUZKG-SECBINFHSA-N 304.372 -0.752 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C2=NN3CCCN=C3N2)C1=O 614394872 UQKCAOMZOKJUHO-SNVBAGLBSA-N 304.354 -0.790 30 20 DBED CN1CCC(C#N)(NC(=O)c2ccc(-c3nn[nH]n3)nc2)CC1 736846995 SHYBHSCTXOQJFC-UHFFFAOYSA-N 312.337 -0.021 30 20 DBED C#CCCN1CCC(NC(=O)Cn2cc(C(=O)OC)nn2)CC1 747405016 SBRUUCAWXBHLBY-UHFFFAOYSA-N 319.365 -0.331 30 20 DBED CN1C[C@H](C(=O)OCc2cc(O)n3ncc(C#N)c3n2)CC1=O 782710778 FIIZJDVEJAXZMR-MRVPVSSYSA-N 315.289 -0.172 30 20 DBED C#CCC[C@H](O)CNC(=O)NCC1(CS(C)(=O)=O)CC1 798430977 ADGDDDQYFCKVCY-NSHDSACASA-N 302.396 -0.115 30 20 DBED CCOC(=O)CNC(=O)[C@H]1COCCN1CCO[C@H](C)C#N 801938543 GLASRGNSTFEBNF-VXGBXAGGSA-N 313.354 -0.705 30 20 DBED COc1cccc([C@@H](O)CNC(=O)NCC(=O)NCC#N)c1 807552172 QBCWDYNKUUXRKK-LBPRGKRZSA-N 306.322 -0.332 30 20 DBED CN(C)CCN1C[C@@H](C(=O)NCc2ccc(C#N)cn2)CC1=O 813705812 AKSKUAZPQLBNPZ-ZDUSSCGKSA-N 315.377 -0.020 30 20 DBED CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)[C@](C)(C#N)CC(=O)O)O1 820524246 NHSVZWUJPGDBAE-BFVZDQMLSA-N 311.338 -0.257 30 20 DBED COC[C@@H](C)NC(=S)NN=C(C)c1cn(CC(=O)O)nn1 831644328 YFYSOTSABNUNJN-SSDOTTSWSA-N 314.371 -0.414 30 20 DBED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)[C@@H]2CCNC2=O)C1 832161620 ASAMVSZXYYSDQA-HBNTYKKESA-N 322.365 -0.002 30 20 DBED N#C[C@@H]1CNC[C@@H]1NC(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O 834511530 LZIQBERSWRSBPD-VOAKCMCISA-N 318.377 -0.221 30 20 DBED C#C[C@H](NC(=O)C(=O)NC[C@@]1(C)CCCNC1)[C@@H]1CCCO1 842161387 BRGWNYWSGCECTK-XEZPLFJOSA-N 307.394 -0.211 30 20 DBED C#CCNC(=O)CN1CCN(S(=O)(=O)[C@H](C)CCC)CC1 845853240 YYGCBEFBHIMCCO-CYBMUJFWSA-N 315.439 -0.128 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)NOCC(=C)C)CC1 895575207 NRFSPOSFHHTOEQ-UHFFFAOYSA-N 316.383 -0.711 30 20 DBED Cc1ccn(C[C@](C)(O)C(=O)NCC#CCN(C)C)c(=O)c1 913521827 ONXRZPOCGGYWKS-INIZCTEOSA-N 305.378 -0.411 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC[C@@H]2CCN2C)C1=O 931886254 SVJZCYWBVUVZCU-NWDGAFQWSA-N 308.382 -0.948 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)c3cn(C)nn3)C2)cn1 940265359 UYDWLSWTGCZVBT-CYBMUJFWSA-N 324.344 -0.164 30 20 DBED CO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1NC(=O)c1n[nH]c(C)c1O 941546474 NJXYJUMPWVCYIA-FXBDTBDDSA-N 321.337 -0.461 30 20 DBED C[C@@H]1CN(CC#N)CC[C@@H]1NC(=O)Cn1ccc(O)nc1=O 942315731 WKNWSSXJPYERGS-MNOVXSKESA-N 305.338 -0.701 30 20 DBED COc1ncc(C(=O)N[C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)cn1 942332345 RPLHIVPCNIWVNJ-GXSJLCMTSA-N 303.322 -0.024 30 20 DBED CO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1NC(=O)c1nonc1C 942554343 CZAKIMHSTLXFOL-SZEHBUNVSA-N 307.310 -0.507 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)[C@]1(C)CCNC1=O)CCO2 949189530 YCMOKSZSOLJJTO-MRXNPFEDSA-N 319.405 -0.161 30 20 DBED N#Cc1cc(C(=O)NC[C@@H]2CCN2C(=O)C2(C(N)=O)CC2)c[nH]1 949499181 XRDUYPFQYYEEOR-NSHDSACASA-N 315.333 -0.517 30 20 DBED COc1cc(OC)nc(C(=O)NC[C@H]2CN(CC#N)C[C@H]2O)n1 958183336 MTLZLJKSRODBDE-VHSXEESVSA-N 321.337 -0.960 30 20 DBED C#CCCN1C[C@H](O)[C@H](CNC(=O)c2cn(C(C)C)nn2)C1 958550621 CXIHHIMCPKFLRM-OCCSQVGLSA-N 305.382 -0.095 30 20 DBED C#CCCN1C[C@H](O)[C@H](CNC(=O)c2cccnc2C(N)=O)C1 958715839 ITKAHMIQHNHJHA-YPMHNXCESA-N 316.361 -0.774 30 20 DBED COCCn1nc(C(=O)NC2[C@H]3CN(CC#N)C[C@H]23)ccc1=O 960933607 VAAYBSHCMHFASN-QWRGUYRKSA-N 317.349 -0.927 30 20 DBED O=C1N[C@@H](C(=O)N2C[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]3C2)CO1 961491461 QXIQTCLIXHBBPS-FRRDWIJNSA-N 317.345 -0.575 30 20 DBED CN1CC[C@H](C(=O)NC[C@@H]2COCCN2C(=O)C#CC2CC2)C1 964194624 YLVFFQJVERXNEX-LSDHHAIUSA-N 319.405 -0.305 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)c1csnn1 964269584 UWSREMAAWOZOCL-DTWKUNHWSA-N 309.351 -0.345 30 20 DBED C=C1CCC(C(=O)N2C[C@H](O)[C@H](NC(=O)c3nc[nH]n3)C2)CC1 969743185 QGBQSUVJHZNDIH-NEPJUHHUSA-N 319.365 -0.147 30 20 DBED C=C1CC(C)(C(=O)N2C[C@H](O)[C@H](NC(=O)c3cnon3)C2)C1 969997485 SRLLZFWREXUWBD-MNOVXSKESA-N 306.322 -0.273 30 20 DBED CC1CCN(CC(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)CC1 970070955 DNIRUSDANTZSKU-MCIONIFRSA-N 322.409 -0.434 30 20 DBED CC#CCN1CC([C@H](C)NC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 970193319 QHSGGYLNJFLDMN-FZMZJTMJSA-N 315.377 -0.175 30 20 DBED C=CCN1CC[C@@H](N2CC([C@@H](C)NC(=O)c3nc[nH]n3)C2)C1=O 970613576 RFEVAIVRLILKOD-ZYHUDNBSSA-N 318.381 -0.358 30 20 DBED C#CCN(C)[C@H]1CCN(C(=O)C2CC3(C2)CS(=O)(=O)C3)C1 971783910 GFSWGQHNHUJOFC-ZDUSSCGKSA-N 310.419 -0.023 30 20 DBED NC(=O)C(=O)N1CC[C@H]2[C@H](CCCN2C(=O)C#CC2CC2)C1 973740335 RRSYJKUXHFBSRJ-OLZOCXBDSA-N 303.362 -0.275 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)c3nnn(C)n3)C[C@H]21 974983181 WEQAYBUWDYNAGA-OPRDCNLKSA-N 303.326 -0.957 30 20 DBED COC(=O)[C@@H]1C[C@H]1C(=O)N1CC(NC(=O)c2c[nH]c(C#N)c2)C1 990921609 XCDQAAUINYRINL-VXGBXAGGSA-N 316.317 -0.364 30 20 DBED Cc1nnc2n1C[C@H](C(=O)NC1CN(C(=O)[C@H](C)C#N)C1)CC2 992757901 WPJBTKCRLMTDFL-MWLCHTKSSA-N 316.365 -0.364 30 20 DBED CC(=O)N1CCC[C@H](C(=O)NC2CN(C(=O)[C@@H](C)C#N)C2)C1 995428630 UKCLCQYIBCLHOM-JQWIXIFHSA-N 306.366 -0.268 30 20 DBED CC(C)C(=O)N[C@@H]1CC(=O)N(C2CN(C(=O)C#CC3CC3)C2)C1 995466402 DFAXVSLNDNFKGA-CYBMUJFWSA-N 317.389 -0.016 30 20 DBED C=CCn1cc(C(=O)N2CC(NC(=O)[C@]3(F)CCOC3)C2)nn1 998151364 TZDWDTHKPBRPHY-AWEZNQCLSA-N 323.328 -0.467 30 20 DBED N#CCN[C@@H]1CCCN(C(=O)c2coc(S(N)(=O)=O)c2)C1 999557268 SHRCETSFSOEGCE-SNVBAGLBSA-N 312.351 -0.355 30 20 DBED O=C(NC1CN(C(=O)C#CC2CC2)C1)[C@H]1CCCS(=O)(=O)C1 1000277263 NRBPXNFWZPWLDN-LBPRGKRZSA-N 324.402 -0.448 30 20 DBED C=CCn1cc(C(=O)NCC2CN(C(=O)c3cnco3)C2)nn1 1001974902 FIRBZUNGXKJDEK-UHFFFAOYSA-N 316.321 -0.046 30 20 DBED CC#CCN1CCC[C@@H](NC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 1008014853 HVWMIAWCKGKGHE-OCCSQVGLSA-N 315.377 -0.031 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C(=O)c2cccn3nnnc23)CC1 1011183716 QNSGHQXYQAYUPA-JTQLQIEISA-N 313.321 -0.432 30 20 DBED C=C(C)CCN1CC[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C1 1014631014 NWEKXDVRVQKWCF-CYBMUJFWSA-N 320.393 -0.296 30 20 DBED C=C(C)CN1CCC2(CC1)C[C@H]2NC(=O)CN1CCNC(=O)C1 1016760881 DGIIPNICWLNCCH-CQSZACIVSA-N 320.437 -0.035 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CCN(C(=O)c3cnn(C)n3)[C@@H]2C1 1022151145 BTNOBHBKCHZTBX-JFGNBEQYSA-N 302.338 -0.352 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]2CN(C(=O)c3nccnc3N)C[C@H]21 1022565267 UKNNCGVHPOETFC-GARJFASQSA-N 314.349 -0.109 30 20 DBED CCn1ccc(C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2O)n1 1023688225 ZJBDGDDROSTUCD-ZIAGYGMSSA-N 316.361 -0.382 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC(=O)N(C)C2)C1 1024113799 OWJCOWDUCOIBCN-IJLUTSLNSA-N 323.393 -0.635 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2csc(O)n2)C1 1025150892 CRKVKWUSGUPKIE-ZXFLCMHBSA-N 310.335 -0.690 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]nc2C2CC2)C1 1025443131 GALBGGSLNUPTSM-XXILOJSOSA-N 317.349 -0.252 30 20 DBED CC#CCN1CC(CNC(=O)[C@@H]2CN3CC4CC3(CO2)C4)C1 1031856541 BREFFISVLQMRQB-GULBITTBSA-N 303.406 -0.079 30 20 DBED CN(C(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1)[C@@H]1CCN(CC#N)C1 1033077371 QXGAKFAZVBCBQO-NWDGAFQWSA-N 316.365 -0.181 30 20 DBED C=C(Cl)CN1CC[C@@H](N(C)C(=O)CN2C(=O)CNC2=O)C1 1033645544 VZRBAHHXKVEBOT-SNVBAGLBSA-N 314.773 -0.177 30 20 DBED C#CCN1CCC(C(=O)N(C)[C@H]2CCN(CC(N)=O)C2)CC1 1033688168 PCHUYQNNVSIMIE-AWEZNQCLSA-N 306.410 -0.650 30 20 DBED C#CCN1CC[C@@H](N(CC)C(=O)[C@@H]2CCN(C)S2(=O)=O)C1 1033986758 YFIQAZKFWPQXDE-OLZOCXBDSA-N 313.423 -0.424 30 20 DBED Cn1cc(C(N)=O)cc1C(=O)NC[C@H]1CN(CC#N)CCO1 1035436341 QBLLSCPRHJMZNK-NSHDSACASA-N 305.338 -0.922 30 20 DBED N#CCN1CCO[C@@H](CNC(=O)c2ccnc3c2CC(=O)N3)C1 1035436721 UAAUEUNITVDUIF-JTQLQIEISA-N 315.333 -0.470 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@]1(O)CCN(C(=O)C(F)F)C1 1039578896 AYLFAXHHWJQGDW-CHWSQXEVSA-N 306.309 -0.342 30 20 DBED C[C@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)c2ccnc(O)c2)C1 1040759359 ADULTTUAYRCKGN-MEBBXXQBSA-N 318.333 -0.360 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)c2ccc(O)nn2)C1 1040759485 BLCKBWTXQAVUGJ-XPTSAGLGSA-N 319.321 -0.965 30 20 DBED Cc1cc(C(=O)N2CC[C@@](O)(CNC(=O)[C@@H](C)C#N)C2)n[nH]1 1040759597 BNMKXLAYFLMCOS-LKFCYVNXSA-N 305.338 -0.429 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)Cc3ccon3)C2)nn1 1040958417 GUUXVGMPRJCMAU-VXGBXAGGSA-N 314.305 -0.755 30 20 DBED C=CCN1CC[C@]2(CCN(C(=O)CN3CCOCC3=O)C2)C1 1041362280 GVAWYSZRFYWTJL-INIZCTEOSA-N 307.394 -0.044 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)C2CC(C)C2)C1 1042468739 PDNCCLHABFDWOI-OTTFEQOBSA-N 308.378 -0.240 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)C[C@H]2CCNC2=O)C1 1042801762 STRFRNXZZMLYGV-GFCCVEGCSA-N 321.377 -0.994 30 20 DBED C=CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)[C@@H]2CCOC2)C1 1043568710 BJPJYABPSRCOIV-VXGBXAGGSA-N 312.366 -0.697 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)c2n[nH]c3c2CCC3)C1 1043808808 WFMYWFJCCMCWRM-VIFPVBQESA-N 317.349 -0.639 30 20 DBED Cc1cc(C(=O)N[C@@H]2CN(c3cncc(C#N)n3)C[C@@H]2O)no1 1043826920 RVSJCHSEISBTJT-NEPJUHHUSA-N 314.305 -0.376 30 20 DBED N#Cc1cnc(N2C[C@H](O)[C@H](NC(=O)C3=COCCC3)C2)cn1 1043874762 JEEPNRLUUISTQP-OLZOCXBDSA-N 315.333 -0.292 30 20 DBED Cc1ncc(C(=O)N[C@@H]2CN(c3ccc(C#N)cn3)C[C@@H]2O)[nH]1 1043877110 KQIQTNKDHRKOKX-OLZOCXBDSA-N 312.333 -0.036 30 20 DBED N#Cc1cccnc1N1C[C@H](O)[C@H](NC(=O)Cc2cc[nH]n2)C1 1043894207 SCCBGCAPZFNKBP-OLZOCXBDSA-N 312.333 -0.415 30 20 DBED C=C(Cl)CN1CC(N(C)C(=O)Cn2nc(C)n(C)c2=O)C1 1044247269 XSQQFPVUZYVLJJ-UHFFFAOYSA-N 313.789 -0.215 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)C2(C(=O)NC)CCC2)C1 1044295061 ZLXKAXDBFCWRBO-UHFFFAOYSA-N 323.393 -0.442 30 20 DBED C#CCN1CCC(C(=O)N2CC[C@@H](NCC(N)=O)C[C@H]2C)CC1 1044871801 LXSQDNHDNITSSU-UKRRQHHQSA-N 320.437 -0.214 30 20 DBED Cn1cnc(C(=O)NC[C@H]2C[C@@H](N=c3cc[nH]c(C#N)n3)C2)n1 1046358967 NWMSDSWSGDEIRF-AOOOYVTPSA-N 312.337 -0.481 30 20 DBED CCN(C)CCC(=O)NCC1(O)CN(C(=O)C#CC(C)C)C1 1046526011 YLOFACQIWXXORB-UHFFFAOYSA-N 309.410 -0.323 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)N2C(=O)CCC2=O)C1 1047400925 PEEOBOGKSLQDMP-SRVKXCTJSA-N 309.366 -0.787 30 20 DBED C=CCCC(=O)N(C)[C@H]1CN(C(=O)COCCOC)C[C@@H]1O 1048510739 UNVOBESMTBMGFI-STQMWFEESA-N 314.382 -0.354 30 20 DBED N#Cc1c[nH]c(C(=O)N2C[C@@H]3CN([C@@H]4CCNC4=O)C[C@@H]3C2)c1 1048749508 GYOWHBHWUYYWFO-MBNYWOFBSA-N 313.361 -0.221 30 20 DBED N#CCN1C[C@H]2CN(C(=O)[C@@H]3CCc4nnc(O)n4C3)C[C@H]2C1 1048899341 VMTZWDLLASMHBR-UTUOFQBUSA-N 316.365 -0.540 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H]2[C@H]1CCN2Cc1nnn(C)n1 1049382462 ODCKSDYHRFFMHN-IJLUTSLNSA-N 303.370 -0.065 30 20 DBED C#CCCN1CCOC[C@@H]1CNC(=O)c1ccc(C(N)=O)nc1 1051269818 YEROZQHXPKVKGA-ZDUSSCGKSA-N 316.361 -0.366 30 20 DBED N#CCN1CCN([C@@H]2CCN(C(=O)c3cncnc3O)C2)CC1 1052041299 YIRZGOVVVMZEOV-GFCCVEGCSA-N 316.365 -0.462 30 20 DBED CN1CC(=O)N(CC(=O)N[C@@H]2CCCN(CC#N)CC2)C1=O 1052919239 ITHYHNWMMSJWDB-LLVKDONJSA-N 307.354 -0.625 30 20 DBED C=C[C@H](CC)CC(=O)N[C@@]1(CO)CCCN(C(=O)C(N)=O)C1 1056066045 SZOKUWJJULFLMT-ABAIWWIYSA-N 311.382 -0.456 30 20 DBED CCC(=O)NCC(=O)N1CCC[C@](CO)(NC(=O)[C@H](C)C#N)C1 1056092938 FQHOYPQKLCPGBC-ABAIWWIYSA-N 324.381 -0.858 30 20 DBED Cn1nncc1C(=O)NC1[C@@H]2CN(c3ccncc3C#N)C[C@@H]12 1056194594 OBZXMBRJDBDYLB-GHMZBOCLSA-N 309.333 -0.054 30 20 DBED C=CCOCC(=O)N1CC[C@H]2[C@@H]1CCCN2C(=O)CNC(C)=O 1056196166 ZBAZARSMYDFXMX-KBPBESRZSA-N 323.393 -0.083 30 20 DBED CCn1nncc1C(=O)NC1[C@@H]2CN(c3ccc(C#N)nn3)C[C@@H]12 1056204206 XPUUDWAYSYPLFR-GHMZBOCLSA-N 324.348 -0.176 30 20 DBED CN1C[C@H](C(=O)N2CC[C@@H](Nc3ccc(C#N)nc3)C2)NC1=O 1056745073 OSMTWTVLAFPOHR-CHWSQXEVSA-N 314.349 -0.010 30 20 DBED CN(c1nccnc1C#N)[C@@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 1056910418 TZISPRMISYMJJN-MWLCHTKSSA-N 316.321 -0.506 30 20 DBED CN(c1cncc(C#N)n1)[C@H]1CCN(C(=O)Cn2cncn2)C1 1056920289 VGOYGCXUYFSADV-LBPRGKRZSA-N 312.337 -0.323 30 20 DBED CN(c1ccc(C#N)cn1)[C@H]1CCN(C(=O)c2nnn(C)n2)C1 1057004764 VHRCHPFEMNZWLY-NSHDSACASA-N 312.337 -0.172 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCCN(CCO)C(=O)c1cocn1 1057201674 KWXOLJNDWYYKOG-YPMHNXCESA-N 323.349 -0.184 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)c1ccc(F)nc1 1057216977 LVHKCTNGKIOESE-JTQLQIEISA-N 308.313 -0.069 30 20 DBED CS(=O)(=O)CC(=O)N1CCC(Nc2ccc(C#N)nn2)CC1 1057292578 XTEJWQPTGVJBTN-UHFFFAOYSA-N 323.378 -0.204 30 20 DBED N#Cc1nc(=N[C@H]2CCCN(C(=O)[C@@H]3CCNC3=O)C2)cc[nH]1 1057724056 FCHKKASDTYLIHE-WDEREUQCSA-N 314.349 -0.691 30 20 DBED CN1CCOC[C@H]1C(=O)N[C@@H]1CCN(c2ccc(C#N)nn2)C1 1058318994 KIODIUGTMXVNOC-OLZOCXBDSA-N 316.365 -0.626 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)c1nocc1C 1058821192 HBSKFWRKZTXKSK-UHFFFAOYSA-N 311.338 -0.264 30 20 DBED Cc1cc(C#N)nc(N[C@H]2CCN(C(=O)[C@H]3CNC(=O)N3)C2)n1 1059049285 JFECEVSQNDATJH-GXSJLCMTSA-N 315.337 -0.649 30 20 DBED N#Cc1nccc(N2CC[C@H]3[C@H](CCCN3C(=O)C(N)=O)C2)n1 1059540741 XWIAUVLLYWKTOP-MNOVXSKESA-N 314.349 -0.349 30 20 DBED C=CCOCC(=O)N1CCOC[C@H]1CNC(=O)c1cn[nH]c1 1061331956 PPNIIPLBDKQYDY-GFCCVEGCSA-N 308.338 -0.431 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCOC[C@H]1CNC(=O)c1cn[nH]c1 1061347152 YFOQUIIHNPGUBC-WCQYABFASA-N 322.365 -0.042 30 20 DBED C#CCC1(C(=O)NC[C@@H]2COCCN2C(=O)C(N)=O)CCC1 1061636425 IEZNZKMZOPFBLB-LLVKDONJSA-N 307.350 -0.991 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)CCCN(C)C 1061827910 NJOGPZXDFOCQFJ-STQMWFEESA-N 310.398 -0.169 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)c1csnn1 1061853436 STMABRGUMQWSDS-BDAKNGLRSA-N 309.351 -0.345 30 20 DBED C=C[C@@](C)(O)CC(=O)NC1(CNC(=O)CNC(N)=O)CCC1 1062490204 SOPURCGHUMLGPR-CYBMUJFWSA-N 312.370 -0.863 30 20 DBED C=CCOCC(=O)NC1(CNC(=O)[C@H]2CCNC(=O)C2)CCC1 1062794611 KPPIDKSRQRBALT-LBPRGKRZSA-N 323.393 -0.130 30 20 DBED CN(C(=O)[C@H]1C[C@H]1C(N)=O)[C@@H]1CCN(c2nccnc2C#N)C1 1063031686 CTFMAVXPOQDOEC-MXWKQRLJSA-N 314.349 -0.493 30 20 DBED CCn1cc(C(=O)N[C@@H]2[C@H]3C[C@H]2N(c2ccc(C#N)nn2)C3)nn1 1064288994 JJMVAKIPJSSLLC-MRCXROJRSA-N 324.348 -0.033 30 20 DBED O=C(Cn1ccnc1)NC[C@@H]1CN(C(=O)C#CC2CC2)CCO1 1065136386 BDJOKUAMLHPHMZ-CQSZACIVSA-N 316.361 -0.360 30 20 DBED C=CC(C)(C)C(=O)NC[C@@H]1CN(C(=O)c2nnn(C)n2)CCO1 1065474602 FCWPFDBYNJTYID-SNVBAGLBSA-N 322.369 -0.621 30 20 DBED CC#CCCCC(=O)N1CCO[C@H](CNC(=O)CNC(N)=O)C1 1065481609 ZEPSTLSSZNRHNP-GFCCVEGCSA-N 324.381 -0.808 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)Cc2ncc[nH]2)C1 1065557636 SXFUIWKLERRUBO-MNOVXSKESA-N 305.338 -0.545 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H](NC(=O)C2(C(N)=O)CC2)CC1 1066461393 YWVJQIMGWRKMES-MNOVXSKESA-N 306.366 -0.091 30 20 DBED C[C@H](C#N)C(=O)N(C)CCCN(C)C(=O)[C@H]1CC(=O)N(C)C1 1067616536 CUTZWXVYUBHQFY-NEPJUHHUSA-N 308.382 -0.069 30 20 DBED N#Cc1nccc(N2C[C@H](CNC(=O)c3cccnc3)[C@@H](O)C2)n1 1067643456 WTIZBXQKAFFSFP-STQMWFEESA-N 324.344 -0.030 30 20 DBED C[C@H](C#N)C(=O)N(C)CCCN(C)C(=O)[C@@H]1CCCN1C(N)=O 1067718257 YVFXHBPJTNKFBP-NEPJUHHUSA-N 323.397 -0.004 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCCN(C)C(=O)[C@@H]1CN(C)C(=O)N1 1067899700 XQQIEDUTMPSHJL-QWRGUYRKSA-N 309.370 -0.523 30 20 DBED Cc1cnc(C(=O)N2C[C@H](n3ccnn3)[C@H](NCC#N)C2)cn1 1070131363 WCPLWHGIYBBUFU-OLZOCXBDSA-N 312.337 -0.445 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)c2ncn(C)n2)CCOCC1 1070232494 KQLXEIFGMXKFEU-SNVBAGLBSA-N 320.353 -0.630 30 20 DBED C#CCN1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2COCCO2)C1 1070397618 GFMNZYGSOMWEGA-GXTWGEPZSA-N 318.377 -0.136 30 20 DBED C#CCCCC(=O)N1CCC[C@@H](NC(=O)CNC(=O)NC)C1 1070667916 VVESRDAJMQKXHA-GFCCVEGCSA-N 308.382 -0.174 30 20 DBED C#CCCN1C[C@H]2C[C@H]3CN(C(=O)c4cn(C)nn4)C[C@@]3(C1)O2 1070796675 LJACPIZLUSVBKV-WOSRLPQWSA-N 315.377 -0.246 30 20 DBED C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1NC(=O)CNC(N)=O 1071918160 KXQNDUIRDGDMQX-KCJUWKMLSA-N 318.337 -0.869 30 20 DBED C=CCN1CCCO[C@@H](CNC(=O)c2cn(C)c(=O)nc2O)C1 1073883485 PAJJIVCXYRRLOH-NSHDSACASA-N 322.365 -0.507 30 20 DBED CC#CCN1CCO[C@H]2CCN(C(=O)CN3CCOCC3)C[C@@H]21 1074215372 HEKIWTWBVFXLAZ-HOTGVXAUSA-N 321.421 -0.356 30 20 DBED C=CCOCC(=O)N1CC[C@@H]2CN(C(=O)C(N)=O)C[C@@H]2CC1 1074308847 NWSYNOPBGCMLRQ-TXEJJXNPSA-N 309.366 -0.629 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CCN(C(=O)c2ncn(C)n2)CC1 1074573293 FKNCCPLCLNVLRI-JTQLQIEISA-N 320.353 -0.942 30 20 DBED C=CCCC(=O)NCC[C@H](C)NC(=O)[C@@H]1CCS(=O)(=O)N1 1075885852 QIDNWHJDCGYFSX-QWRGUYRKSA-N 317.411 -0.345 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC[C@H](C)NC(=O)C(C)(C)C(N)=O 1076306590 WCDIIEGJUQZXIP-ZUZCIYMTSA-N 313.398 -0.164 30 20 DBED CC#CCN1C[C@@H]2CCN(C(=O)c3cn(C)c(=O)nc3O)[C@@H]2C1 1076566010 GOXBOAPQIWREFL-WCQYABFASA-N 316.361 -0.345 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H](C)CCNC(=O)Cn1nccn1 1076696071 FDDBRPRXFWFWOO-RYUDHWBXSA-N 307.354 -0.673 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCS(=O)(=O)C2)C1 1077332181 RJRNEDDCQPRXSD-HBNTYKKESA-N 322.814 -0.665 30 20 DBED Cn1cc(C(=O)N[C@@H]2CN(CC#N)C[C@H]2O)c([C@@H]2CCOC2)n1 1077457411 NIYOLJTZANAXNV-RAIGVLPGSA-N 319.365 -0.778 30 20 DBED O=C(N[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1O)c1nc[nH]n1 1077862783 SXUMWMXCFVCGLD-ZIAGYGMSSA-N 311.345 -0.369 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)Cc2c(C)nc(C)nc2O)C1 1078168807 NHDGBNQITASRHT-CHWSQXEVSA-N 306.366 -0.311 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(N(CC)C(=O)CC(=O)NC)C1 1079659557 ZYGGDCOQULCMNK-HNNXBMFYSA-N 311.382 -0.491 30 20 DBED C#CCOCCC(=O)N(CC)C1CN(C(=O)c2[nH]nnc2C)C1 1079770498 FQYDCRMKQVTXKY-UHFFFAOYSA-N 319.365 -0.174 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)c2cccnn2)C[C@H]1O 1081334768 CICMOUXBYPXEDP-DGCLKSJQSA-N 304.350 -0.008 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](O)[C@H](CNC(=O)CC(C)(C)O)C1 1081447273 LWHLNVBCRKUVIB-CHWSQXEVSA-N 310.394 -0.258 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(C(=O)c2cnco2)C[C@H]1O 1081473775 KLWRZRBQVSZWJY-NWDGAFQWSA-N 303.318 -0.363 30 20 DBED C=CCCOCC(=O)NC[C@@H]1CN(C(=O)c2cn[nH]c2)C[C@H]1O 1081569997 WODRFUHEDOCEDA-CHWSQXEVSA-N 322.365 -0.449 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)C[C@H]1CCN(C)C1=O 1083115226 WTIVFGPKKKLPBP-QLFBSQMISA-N 319.405 -0.210 30 20 DBED C=CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cc(C(N)=O)c[nH]1 1083235090 MGCSCAACVCYBPN-QWHCGFSZSA-N 304.350 -0.175 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CCCC(=O)N1C 1083261150 GQWSYFNTNPYBHG-HZSPNIEDSA-N 305.378 -0.458 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)C1 1083504987 WWEAWCIOTDGZBR-MJBXVCDLSA-N 321.421 -0.182 30 20 DBED C#CCN1CC[C@@H]1CN(C)C(=O)c1nc(C)n(-c2nc[nH]n2)n1 1085752336 CRFAELVCUOQWQD-LLVKDONJSA-N 314.353 -0.527 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)c2cn(C)c(=O)cn2)[C@H](O)C1 1090442209 QUVFLTJLZHDWJY-DGCLKSJQSA-N 306.366 -0.479 30 20 DBED COCCC(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1OC 1090854148 SDUZBCAJJZBPTA-VXGBXAGGSA-N 305.338 -0.295 30 20 DBED Cc1cc(C#N)nc(N2C[C@@H]3C(NC(=O)CC(N)=O)[C@H]3C2)n1 1093228943 ODMZRCNAQYHOPA-UWVGGRQHSA-N 300.322 -0.917 30 20 DBED Cc1cc(NC(=O)C(=O)NCCNc2nccnc2C#N)no1 1093650050 FAPPRZAVFJLELI-UHFFFAOYSA-N 315.293 -0.189 30 20 DBED N#Cc1nccnc1NCCNC(=O)CN1CCCCC1=O 1094256908 SIZKZXIYXWUCLQ-UHFFFAOYSA-N 302.338 -0.111 30 20 DBED CNC(=O)C1(C(=O)NCCCNc2nccnc2C#N)CC1 1094496498 DVKGFOWQPJPQOS-UHFFFAOYSA-N 302.338 -0.207 30 20 DBED C[C@H](C(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1)n1cccc1 1094721733 JNYHFRDADLKKGH-OLZOCXBDSA-N 315.377 -0.026 30 20 DBED CN1C[C@H](C(=O)NCCCNc2cncc(C#N)n2)CC1=O 1094845259 AABAPTXHUMMQBI-SNVBAGLBSA-N 302.338 -0.255 30 20 DBED C[C@@H](C(=O)NCCCNc1ccc(C#N)nn1)S(C)(=O)=O 1094876854 DZADOOSMBABXOQ-VIFPVBQESA-N 311.367 -0.300 30 20 DBED CN(CCCNC(=O)Cn1ncnn1)c1ccncc1C#N 1095645170 FLXXEBSFLOXRDJ-UHFFFAOYSA-N 300.326 -0.418 30 20 DBED C[C@@H](CNC(=O)C[C@@H]1CC(=O)NC1=O)Nc1ccc(C#N)nn1 1097943491 FYPAQMGFSGPNNC-DTWKUNHWSA-N 316.321 -0.682 30 20 DBED C[C@H](CNC(=O)CCCn1cncn1)N=c1cc[nH]c(C#N)n1 1098028592 IHQCMZAQYQRGOP-LLVKDONJSA-N 314.353 -0.241 30 20 DBED CN(C)C(=O)CN(CCO)C1CCN(C(=O)C#CC2CC2)CC1 1098364634 GKHDMQIHJRIUGR-UHFFFAOYSA-N 321.421 -0.227 30 20 DBED C[C@@H](CNC(=O)CCS(C)(=O)=O)Nc1nccnc1C#N 1098392641 ICZFTDHEMCONMH-VIFPVBQESA-N 311.367 -0.300 30 20 DBED C[C@H](CNC(=O)[C@@H]1CCC(=O)NC1)N=c1cc[nH]cc1C#N 1098397885 WFSHZZWACGUQRZ-GHMZBOCLSA-N 301.350 -0.182 30 20 DBED COC(=O)NCC(=O)N1CC[C@@H](CN=c2cc[nH]c(C#N)n2)C1 1098502539 CCESWQSKUYJOCM-JTQLQIEISA-N 318.337 -0.613 30 20 DBED C[C@@H](CCNC(=O)CCn1cnnn1)Nc1cnc(C#N)cn1 1099418177 YUPLZWXEMKQPLZ-JTQLQIEISA-N 315.341 -0.268 30 20 DBED C[C@@H](CCNC(=O)[C@H]1C[C@H]1C(N)=O)N=c1cc[nH]cc1C#N 1099691514 IKXQRNYCMBFBKA-WCQGTBRESA-N 301.350 -0.197 30 20 DBED N#CCNC(=O)CN1CC[C@H](NC(=O)C2CC=CC2)[C@@H](O)C1 1099743393 IYFDCSUUISTPIP-STQMWFEESA-N 306.366 -0.856 30 20 DBED C#CCCCCC(=O)N[C@@H]1CCN(CC(=O)N(C)C)C[C@@H]1O 1099787239 VIZGUXUROVGHNH-KGLIPLIRSA-N 309.410 -0.180 30 20 DBED C=CCCCN1CC[C@@H](NC(=O)Cn2ncn(C)c2=O)[C@@H](O)C1 1099895557 YGUCMUZSWXCKKY-OLZOCXBDSA-N 323.397 -0.901 30 20 DBED COCC#CCN1CC[C@H](NC(=O)Cn2cncc2C)[C@@H](O)C1 1099918351 KNWKPKLDLXOWFH-GJZGRUSLSA-N 320.393 -0.607 30 20 DBED C[C@H]1C[C@H](C(=O)NCCN(C)c2ccnc(C#N)n2)CC(=O)N1 1100211297 JJRCYSSIPWHPDL-QWRGUYRKSA-N 316.365 -0.185 30 20 DBED CN(CCNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccnc(C#N)n1 1100227190 KNFCHBLOMJFKJF-JTQLQIEISA-N 323.378 -0.665 30 20 DBED CN(CCNC(=O)CN1CCCNC1=O)c1cncc(C#N)n1 1100409262 GAZXTLMDINJJID-UHFFFAOYSA-N 317.353 -0.684 30 20 DBED CCN(CCNC(=O)[C@H]1CC[C@H]1C(N)=O)c1cncc(C#N)n1 1100695247 QRPPEKHYCQUWJF-NEPJUHHUSA-N 316.365 -0.198 30 20 DBED N#Cc1cnccc1N1CCC[C@H]1CNC(=O)CNC(N)=O 1100779211 CRPQWFPSSKFLGH-NSHDSACASA-N 302.338 -0.293 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)c2cc[nH]n2)C1 1101742837 FDKIYBAZISDWPQ-VXGBXAGGSA-N 303.366 -0.543 30 20 DBED CCN(C(=O)CNC(N)=O)[C@H]1CCN(c2cnc(C#N)cn2)C1 1102779802 LWCVEUQWFSXJRH-NSHDSACASA-N 317.353 -0.556 30 20 DBED CC[C@H](CNC(=O)CNC(=O)NC)Nc1cncc(C#N)n1 1103352547 IZIKHFXUBLOUNX-SECBINFHSA-N 305.342 -0.416 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](C)[C@H](CCN[C@H](C)C(N)=O)C1 1104097082 AOKFYKWHRQRJBA-JHJVBQTASA-N 322.409 -0.926 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)[C@@H]1COCCO1 1104479249 INYKEKUZWVHQGV-QWRGUYRKSA-N 305.338 -0.556 30 20 DBED C[C@H](CNc1nccnc1C#N)N(C)C(=O)CS(C)(=O)=O 1104497350 DWXRNAUKKFABAT-SECBINFHSA-N 311.367 -0.348 30 20 DBED CC(C)[C@H](CNC(=O)[C@H]1COCCO1)N=c1cc[nH]c(C#N)n1 1105141038 MNAIDJBJFASJSJ-NWDGAFQWSA-N 319.365 -0.262 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)c2cc[n+]([O-])cc2)cn1 1105715154 MRGULNFYRWHITR-AWEZNQCLSA-N 313.317 -0.211 30 20 DBED N#Cc1c(F)cccc1NC[C@@H](O)CNC(=O)Cn1cnnn1 1105715927 DWAXXSMABBGVKY-SECBINFHSA-N 319.300 -0.727 30 20 DBED CC(=O)CCCC(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1 1105720575 WUMUFOQCWXDDGK-LLVKDONJSA-N 305.338 -0.582 30 20 DBED C=CCOCC(=O)NC[C@H](O)CN=c1ccc2ncc[nH]c-2n1 1105747581 JVRKYOJFPXQOOX-LLVKDONJSA-N 317.349 -0.510 30 20 DBED CCCCOCC(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1 1105763926 SCHGIWMPBXEZLO-NSHDSACASA-N 307.354 -0.524 30 20 DBED CC(C)(C(N)=O)C(=O)NC[C@@H](O)CNc1ncc(C#N)cc1F 1105999896 XRZIWKPDRZIOAI-VIFPVBQESA-N 323.328 -0.507 30 20 DBED C[C@H](NC(N)=O)C(=O)N[C@H](C)CCNc1cnc(C#N)cn1 1106298356 QNLQHTNQYMKXBF-BDAKNGLRSA-N 305.342 -0.288 30 20 DBED CCNC(=O)CC(=O)NC/C=C\CN=c1cc[nH]cc1C#N 1107131420 QAMDOFSDENUHCO-ARJAWSKDSA-N 301.350 -0.014 30 20 DBED C#CCCN1CC(n2cc(CNC(=O)C3(C(N)=O)CC3)nn2)C1 1107202561 LHULQHCOHCTXCD-UHFFFAOYSA-N 316.365 -0.960 30 20 DBED CNC(=O)C1(C(=O)N[C@H](C)CN=c2cc[nH]c(C#N)n2)CC1 1107829757 OLNLGTYZMCQZCF-SECBINFHSA-N 302.338 -0.787 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 1108217684 VCKORSLZYSYNNS-DVOMOZLQSA-N 307.394 -0.272 30 20 DBED C[C@@H](CNc1ncccc1C#N)NC(=O)C[C@H]1CC(=O)NC1=O 1108436206 YHOTUWLYGYCSEI-ONGXEEELSA-N 315.333 -0.077 30 20 DBED N#CCSCC(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1 1108511343 QGIRBMDBFPASCV-SNVBAGLBSA-N 307.379 -0.832 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)COCCOC)CC2=O)C1 1108528120 UCNAYTDIVVUFLG-GFCCVEGCSA-N 311.382 -0.763 30 20 DBED C[C@H](NC(N)=O)C(=O)N[C@H](C)CN(C)c1ccc(C#N)nn1 1108915041 CAFYATNVTJUXPP-BDAKNGLRSA-N 305.342 -0.654 30 20 DBED C[C@@H](CN(C)c1cnc(C#N)cn1)NC(=O)CCNC(N)=O 1108961948 RLHUZTISVXIODH-VIFPVBQESA-N 305.342 -0.652 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)CCCNc1ccc2nnnn2n1 1109529740 ZZNPGZMKPZMNFU-NSHDSACASA-N 317.353 -0.182 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H]1CCN(C)C1=O 1109622377 MEWVFPRDDJCFAC-KBXIAJHMSA-N 319.405 -0.164 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1[C@H]2C[C@H]1N(c1nc(C)ns1)C2 1109704446 TVAKOIFDKNBWGK-OPQQBVKSSA-N 319.390 -0.321 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H](CC)OC 1110368486 CXVFFPMYENDFBL-MQYQWHSLSA-N 307.394 -0.118 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1n[nH]cc1C 1110530462 DPRBOXPSHMQWGQ-UPJWGTAASA-N 315.377 -0.197 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)N(C)C 1110546050 KEWJNFAXOGZAAO-DGAVXFQQSA-N 307.394 -0.166 30 20 DBED CC(=O)NCC(=O)N[C@]1(C)CCN(c2cnc(C#N)cn2)C1 1110719706 YBZDZDVFXMUFDC-CQSZACIVSA-N 302.338 -0.431 30 20 DBED CNC(=O)CC(=O)NC[C@@H]1COCCN1c1ccc(C#N)nc1 1111675573 LQWLLMDCZDQDMO-CYBMUJFWSA-N 317.349 -0.589 30 20 DBED N#Cc1nccnc1N1CCC[C@@H](NC(=O)CNC(N)=O)CC1 1111966548 SGBWQAFJFCEWCA-SNVBAGLBSA-N 317.353 -0.508 30 20 DBED C=CCCC(=O)N1CCN(C[C@@H](O)CN2C(=O)CCC2=O)CC1 1112688316 NJDWNOVWPYPOKL-CYBMUJFWSA-N 323.393 -0.393 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1O 1112720330 ILPIUQMETKGLOB-CHWSQXEVSA-N 313.361 -0.079 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)c2ncn(C)n2)CC1 1112819976 PIZQXXWOPCTHSH-LLVKDONJSA-N 306.370 -0.736 30 20 DBED Cn1ncc(Cl)c1C(=O)N1CCN(CC(=O)NCC#N)CC1 1112857529 OUQGFJPFKMRIST-UHFFFAOYSA-N 324.772 -0.529 30 20 DBED CC(C)c1cc(C(=O)N2CCN(CC(=O)NCC#N)CC2)n[nH]1 1113368917 ZFPFLWYUOBFQAR-UHFFFAOYSA-N 318.381 -0.069 30 20 DBED C[C@@H](CNC(=O)c1cnn(C)c1N)N(C)c1cnc(C#N)cn1 1113574258 ZGEPOQQLJGFSOX-VIFPVBQESA-N 314.353 -0.081 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)CCCC(N)=O)CC1 1113731641 UPYAKCHZEAXMMS-GFCCVEGCSA-N 310.398 -0.523 30 20 DBED CNC(=O)NCC(=O)NC[C@@H](C)N(C)c1ccncc1C#N 1113939317 VGMYQOQYKBIRDT-SNVBAGLBSA-N 304.354 -0.177 30 20 DBED C#CCCCCC(=O)NC1[C@@H]2CN([C@H](C)C(=O)NC(N)=O)C[C@@H]12 1114163457 ICAZYHADMJBWPS-IJLUTSLNSA-N 320.393 -0.190 30 20 DBED C#CCCCC(=O)NC1[C@@H]2CN(CCNS(C)(=O)=O)C[C@@H]12 1114201372 OCTBCBZJQHWDKS-VXGBXAGGSA-N 313.423 -0.615 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)[C@@]34COC[C@@H]3C4)[C@H]2C1 1114306072 FOZFECCLQPWROD-YWDSYVAPSA-N 305.378 -0.629 30 20 DBED C=C(C)CCC(=O)NC1[C@@H]2CN(CC(=O)NC(=O)NC)C[C@@H]12 1114349328 WVWAPMSXVYSXFB-GHMZBOCLSA-N 308.382 -0.155 30 20 DBED N#CCNC(=O)CN1C[C@@H]2C(NC(=O)C[C@H]3CCOC3)[C@H]2C1 1114781934 ZDCDDGXAXJTZIY-WOPDTQHZSA-N 306.366 -0.901 30 20 DBED C=CCCN1C[C@H]2[C@H](NC(=O)[C@@H](C)NS(C)(=O)=O)[C@H]2C1 1114888660 LLOLZMPHRLIKGD-WYUUTHIRSA-N 301.412 -0.453 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)CN(CC)CC)[C@H]2C1 1114992402 URXYGZXPDAEHSE-STQMWFEESA-N 308.426 -0.323 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)c3oncc3C)[C@@H]2C1 1115065596 PAYSLRAUAPOKRI-QJPTWQEYSA-N 316.361 -0.219 30 20 DBED CN(CCOCCNC(=O)[C@H]1CCOC1)c1ccnc(C#N)n1 1115180706 UCQAGEAXGLUBCY-LBPRGKRZSA-N 319.365 -0.046 30 20 DBED N#CCN1C[C@H]2[C@H](NC(=O)COc3cccc(C(N)=O)c3)[C@H]2C1 1115292545 PWMLVRRHHMAVNW-NHAGDIPZSA-N 314.345 -0.266 30 20 DBED C#C[C@@H](C)NC(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 1116641816 IFOHZYJSYZAUBN-ZJUUUORDSA-N 301.368 -0.999 30 20 DBED Cc1ocnc1C(=O)NC[C@@H](CO)N=c1cc[nH]cc1C#N 1121166232 XWXHCOYDTHNYSK-NSHDSACASA-N 301.306 -0.126 30 20 DBED COC(=O)c1cnc(N[C@H](CO)CNC(=O)[C@H](C)C#N)nc1 1121212539 GRESZDUNWHNOLP-SCZZXKLOSA-N 307.310 -0.688 30 20 DBED C=CCOCCCC(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1 1121251668 UQQAGHRKVZBPIK-LBPRGKRZSA-N 319.365 -0.358 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)C[C@@H]2COC(=O)C2)nn1 1121303880 RPMRJCAXWPXKRI-ONGXEEELSA-N 319.321 -0.810 30 20 DBED Cc1nnc(CC(=O)NC[C@H](CO)Nc2ccc(C#N)nc2)o1 1121431868 FLKJIEOFQOCDNI-GFCCVEGCSA-N 316.321 -0.224 30 20 DBED C=CCNC(=O)CNC(=O)N1CCO[C@@H](c2ccnn2C)C1 1121910633 NEBWSAOOMXFWKN-GFCCVEGCSA-N 307.354 -0.195 30 20 DBED N#Cc1cnc(N[C@@H](CO)CNC(=O)c2csc(O)n2)cn1 1122429084 GJNUMVIBKUKSHL-MRVPVSSYSA-N 320.334 -0.287 30 20 DBED Cc1c[nH]c(C(=O)NC[C@@H](CO)Nc2ccc(C#N)nn2)n1 1122688588 UCAUZFOLRFCBLR-JTQLQIEISA-N 301.310 -0.417 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]cc1C#N)C(=O)Cn1cccn1 1124117859 YWQXBIFURRMDII-ZDUSSCGKSA-N 314.349 -0.497 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)C[C@@H]1CCOC1 1125118368 HYPKWHLARVHNFN-NSHDSACASA-N 312.370 -0.869 30 20 DBED C#CCCCCC(=O)NCCNCC(=O)N[C@H](C)C(=O)N(C)C 1125951361 MPUJOPBGVZTKJT-CYBMUJFWSA-N 324.425 -0.521 30 20 DBED C#CCNC(=O)CC(=O)NCCNCc1csc(COC)n1 1125978799 YLFTXWDDGKDVBJ-UHFFFAOYSA-N 324.406 -0.365 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)c1cnnc(C)c1 1126251403 XSCTVLPRHOUVSY-UHFFFAOYSA-N 320.353 -0.884 30 20 DBED Cc1cnc2cc(C(=O)NCCNCC(=O)NCC#N)ccn12 1127293268 RUBKSOLRKQRIPI-UHFFFAOYSA-N 314.349 -0.398 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CCc2nnc(CNCCO)n2CC1 1127965348 SMFRSVQDEBLBEG-QWRGUYRKSA-N 306.370 -0.659 30 20 DBED C=CCN[C@@H]1CN(C(=O)CCNC(=O)NC)C[C@@H]1n1ccnn1 1129808068 ZIIAXIDRRFBTIM-NEPJUHHUSA-N 321.385 -0.875 30 20 DBED C=CCO[C@H](C)C(=O)N1C[C@@H](NCCO)[C@H](c2cncn2C)C1 1131132971 VUYMCEIITWNVOG-MGPQQGTHSA-N 322.409 -0.113 30 20 DBED C=CCN1C[C@H]2C[C@@H]3CN(C(=O)C[C@@H](C)NC(N)=O)C[C@@]3(C1)O2 1131230071 DKMSCNZHAYFPJM-BRXULGCHSA-N 322.409 -0.079 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cnc2ccc(C)cn12 1131292228 ONDFPXVUWJFZSP-UHFFFAOYSA-N 313.361 -0.288 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)C[C@@H](C)c1cnn(C)c1 1131741516 IGHPTFNLSIQCEZ-OLZOCXBDSA-N 319.409 -0.243 30 20 DBED CC(C)Oc1cnccc1C(=O)NCCNCC(=O)NCC#N 1131751777 DOGIRSIAUFYNHQ-UHFFFAOYSA-N 319.365 -0.172 30 20 DBED CN(C)CC1(C(=O)NCCNCC(=O)NCC#N)CCCCC1 1131794411 YGBAXYYDSZSHIQ-UHFFFAOYSA-N 323.441 -0.156 30 20 DBED C#CCNC(=O)CN1C[C@H](NC(=O)c2cncn2C)CC[C@@H]1C 1132156417 FDPCZYCNFGJQIF-QWHCGFSZSA-N 317.393 -0.248 30 20 DBED C[C@H]1CC[C@H](NC(=O)CC(=O)N(C)C)CN1CC(=O)NCC#N 1132343558 JBSRCZJCTWUQPK-RYUDHWBXSA-N 323.397 -0.926 30 20 DBED CN1C[C@@H](C(=O)NCCNCC#Cc2ccccc2)NC1=O 1132382305 HUVFZFGWJKKXBF-AWEZNQCLSA-N 300.362 -0.233 30 20 DBED C=CCCCC(=O)NCCNC[C@H](O)CN1C(=O)CCC1=O 1133145423 YLIMBGRYOKKCBQ-LBPRGKRZSA-N 311.382 -0.442 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)CCc1cncs1 1133906025 NMQZLNBOFMOAJQ-NSHDSACASA-N 308.407 -0.081 30 20 DBED CCN(CC)S(=O)(=O)CC(=O)NCCNCC#CCOC 1134608868 CWQIOKVHLBIMRF-UHFFFAOYSA-N 319.427 -0.986 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@H]1CCCCN(C)C1=O 1147634134 FEKWZRXGFLIADL-GFCCVEGCSA-N 310.398 -0.747 30 20 DBED COCC#CCN1CCCO[C@@H](CNC(=O)c2cncn2C)C1 1149947118 UHRKTIZGVNPBBI-AWEZNQCLSA-N 320.393 -0.109 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)c2cc[n+]([O-])cc2)C1=O 1154377785 JGYKTSZLTZHFNB-AWEZNQCLSA-N 318.377 -0.184 30 20 DBED C[C@H](C#N)C(=O)NCCC1=CCN(CC(=O)NCC#N)CC1 1159587546 SYYBDGJOVIQWLR-GFCCVEGCSA-N 303.366 -0.076 30 20 DBED N#CCNCCCCCCNC(=O)CCCS(N)(=O)=O 1179425979 LWJILVVRIPQSOH-UHFFFAOYSA-N 304.416 -0.155 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)c2ccncn2)[C@H]1C 1179748915 PPFKHYWALYMZDT-AGIUHOORSA-N 315.377 -0.193 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](NC[C@H](O)CN2CCCC2=O)C1 1181653026 UISQNWSTXLKAHU-XQQFMLRXSA-N 308.382 -0.680 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2ccnnc2C)C1 1183978642 WFZIBQCHODZCDG-GFCCVEGCSA-N 301.350 -0.661 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)Cc2cncc(C)c2)C1 1184602101 TXCJXZBBAQEQQO-OAHLLOKOSA-N 314.389 -0.128 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)C2(CN(C)C)CC2)C1 1185229393 FCTAEXRMQNWOQJ-CYBMUJFWSA-N 306.410 -0.732 30 20 DBED CC(=O)NCC(=O)N1CCC[C@@H](n2cc(CNCC#N)nn2)C1 1185855261 FTVAJXZMMMRUKB-CYBMUJFWSA-N 319.369 -0.809 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H]2CCN(C(=O)CCOC)[C@@H]2C1 1186662194 DHYIOIOQXWHYEJ-HZSPNIEDSA-N 307.394 -0.307 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)CNC(=O)CC)C1 1189401110 SGEAOERPLKVSJM-GFCCVEGCSA-N 310.398 -0.653 30 20 DBED CN(CC(=O)NCC#N)[C@H]1CCN(C(=O)c2ncccc2O)C1 1189770408 UAGDCYISOKVQPC-NSHDSACASA-N 317.349 -0.427 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2cnn(CC)n2)C1 1189973749 QUXFMUOODMLKPO-LBPRGKRZSA-N 318.381 -0.806 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)[C@H]2CCCNC2=O)C1 1190788779 MBFHCOJCWVDWQF-OLZOCXBDSA-N 322.409 -0.653 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2ccoc2CC)C1 1192592175 ZBLCAFUHJSLPON-CHWSQXEVSA-N 321.377 -0.081 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)CCCC(N)=O)C1 1194485565 VUPSVZILGFHIIN-LBPRGKRZSA-N 310.398 -0.523 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)CNC(=O)Nc2ccccc2)C1 1195119219 BMFQJUFRQAIUDS-CHWSQXEVSA-N 317.349 -0.507 30 20 DBED C#CCNC(=O)[C@H](C)N1CCCN(C(=O)c2ccn(C)n2)CC1 1198105140 AAFSTNDKAOLJGB-ZDUSSCGKSA-N 317.393 -0.294 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)Cc2ccn(C)n2)CC1 1200456014 KQBYYTGXVVAXAX-UHFFFAOYSA-N 319.409 -0.155 30 20 DBED N#CCNC(=O)CNC1CCN(C(=O)[C@@]23COC[C@@H]2C3)CC1 1200651998 VRSGTPRPGIVLMV-NHYWBVRUSA-N 306.366 -0.757 30 20 DBED C=CCOCCN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)Cn1cnnn1)C2 1203942055 HNRCKCXDDUPCAE-MGPQQGTHSA-N 320.397 -0.155 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)CCOCC)CC1 1204758797 MSMPZPCIRIFPEW-UHFFFAOYSA-N 309.410 -0.009 30 20 DBED CN1CCC[C@H]1C(=O)N1CCC[C@@H](NCC(=O)NCC#N)C1 1207689017 VGYBQECVDHLUJQ-OLZOCXBDSA-N 307.398 -0.699 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC[C@@H](NCC(=O)NCC#N)C1 1208018414 OSNIMLDICRIIQO-CHWSQXEVSA-N 306.366 -0.755 30 20 DBED CC(C)[C@H](C(=O)N1CCC[C@@H](NCC(=O)NCC#N)C1)N(C)C 1209483685 AEPNTEWQKGSLPJ-UKRRQHHQSA-N 323.441 -0.207 30 20 DBED CC[C@H](C(N)=O)N1C[C@@H](NC(=O)CSCC#N)[C@H](OC)C1 1211888561 CFWMYLZSMJWVJM-GMTAPVOTSA-N 314.411 -0.678 30 20 DBED C=CCOCC(=O)N1CCO[C@@H]2CN([C@@H]3CCN(C)C3=O)C[C@@H]21 1217538297 RDHFDIACSKNVHF-HZSPNIEDSA-N 323.393 -0.669 30 20 DBED C=CCOCC(=O)N1CCO[C@@H]2CN([C@H](C)C(=O)NC)C[C@@H]21 1217538325 SDOYAPYRICLPPP-FRRDWIJNSA-N 311.382 -0.765 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(Cc2ccn(CC)n2)C[C@@H]1O 1219536714 XATGPDJBSAMFTG-IJEWVQPXSA-N 322.409 -0.109 30 20 DBED CCn1nc(C)c(CN2C[C@H](O)[C@H](NC(=O)C#CC(C)C)C2)n1 1219587588 MFPTYHGZFQWCAW-CABCVRRESA-N 319.409 -0.073 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2nonc2C)C[C@@H]1O 1219613246 BWAPEPVPKIUBPG-OLZOCXBDSA-N 308.338 -0.921 30 20 DBED C#CCC1(C(=O)N[C@@H]2CN([C@H](C)C(=O)NC)C[C@@H]2O)CCC1 1219785715 XWMNLMSDBHGLKW-UPJWGTAASA-N 307.394 -0.524 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)c2cccc(=O)n2C)C1 1220324855 QQGPTIPGXNEJMY-OCCSQVGLSA-N 321.377 -0.637 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)CCCC(=O)N(CC)CC)C1 1220558349 WHUCJVLAZGYYLA-KGLIPLIRSA-N 309.410 -0.180 30 20 DBED CC#CCN1CC[C@@H]2CN(C(=O)CNS(=O)(=O)CC)[C@@H]2C1 1221589394 MCPOPOHFVYPDDT-CHWSQXEVSA-N 313.423 -0.518 30 20 DBED C=CCNC(=O)CN1CC[C@@H]2CN(C(=O)[C@H]3CCN(C)C3)[C@@H]2C1 1222013901 NYUKHEDUIZRJNN-QLFBSQMISA-N 320.437 -0.227 30 20 DBED O=C(C#CC1CC1)NC1CCN([C@@H]2CCC(=O)NC2=O)CC1 1227298681 COFSPOWKGUUBBF-CYBMUJFWSA-N 303.362 -0.214 30 20 DBED COCCS(=O)(=O)CC(=O)NC1CCN(CC#N)CC1 1228024384 YPXYKRJTFJMAGJ-UHFFFAOYSA-N 303.384 -0.848 30 20 DBED CN(C[C@@H]1CCN1CC(=O)NCC#N)C(=O)c1cnccn1 1230637469 HQAXQZRWRXHEFY-NSHDSACASA-N 302.338 -0.737 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)Cc1cc(C)on1 1231334501 MCBLNOQXSSFMMF-CQSZACIVSA-N 318.377 -0.192 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)CCc1cnc[nH]1 1235124666 SHVNRQFTDPIIGG-CQSZACIVSA-N 317.393 -0.376 30 20 DBED COC[C@@](C)(C#N)NC(=O)CS[C@@H]1CCS(=O)(=O)C1 1252999359 AOGPWLAOXGURDF-MWLCHTKSSA-N 306.409 -0.048 30 20 DBED CC[C@H](C(=O)N(C)C[C@H](O)CNC(=O)C#CC(C)C)N(C)C 1288094125 GQZMSSJQRPGBNM-ZIAGYGMSSA-N 311.426 -0.079 30 20 DBED COC(=O)c1cnc(C(=O)NS(=O)(=O)CCCC#N)cn1 1319941793 RIIGVPGJABUZRS-UHFFFAOYSA-N 312.307 -0.373 30 20 DBED C=CCN(C)C(=O)C(=O)NCCS(=O)(=O)NCC1CCC1 1322733552 MHDNMZQCJXNPKM-UHFFFAOYSA-N 317.411 -0.534 30 20 DBED C=C[C@@H]1CCCCN1C(=O)C(=O)NCCN1C(=O)CNC1=O 1323025974 KRTQLHFJELWIFK-SNVBAGLBSA-N 308.338 -0.779 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)NC[C@@H]1CCCS1 1323698694 DYWCINVVKGNOBB-JTQLQIEISA-N 320.436 -0.285 30 20 DBED C#CCOCCNC(=O)C(=O)NC[C@H](C)CC1(C)OCCO1 1324879165 YPAVCDDPQSRYKD-GFCCVEGCSA-N 312.366 -0.342 30 20 DBED C=CCN1CCC(NC(=O)C(=O)N[C@@H](C)c2ncnn2C)CC1 1325780718 GJWZYLVMHGQXRK-NSHDSACASA-N 320.397 -0.241 30 20 DBED C=CCCC[C@@H](C)NC(=O)C(=O)N1CC[C@@H]2OCC(=O)N[C@H]2C1 1325851768 SQRPVSMTRURMNL-AGIUHOORSA-N 323.393 -0.037 30 20 DBED CC#CC[C@H](CO)NC(=O)C(=O)Nc1cccc(C(N)=O)n1 1326834835 RPAVMHQLKMVRFV-SECBINFHSA-N 304.306 -0.991 30 20 DBED C=CCOCCNC(=O)C(=O)N[C@@H]1CC(=O)N(C(C)(C)C)C1 1327782591 JOQYLOFIOSYVRB-LLVKDONJSA-N 311.382 -0.179 30 20 DBED CN(Cc1cccnc1)C(=O)C(=O)N1CC[C@](O)(CC#N)C1 1328411970 CMYDWBBSTKIYIQ-OAHLLOKOSA-N 302.334 -0.083 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N1CCC[C@@H](OCCO)C1 1344924356 HENYCHDDMSANSG-CYBMUJFWSA-N 314.382 -0.353 30 20 DBED C=CCOCCNC(=O)C(=O)N[C@H]1C[C@@H]2CCCCN2C1=O 1350858544 DSEHFHNRVJROPG-RYUDHWBXSA-N 309.366 -0.425 30 20 DBED CO[C@]1(C(=O)NCc2ccc(C#N)cn2)CCS(=O)(=O)C1 1361397924 PWINWVAIHPWKLE-CYBMUJFWSA-N 309.347 -0.227 30 20 DBED Cn1ccnc1[C@@H]1C[C@@H](NC(=O)Cn2cnc(C#N)n2)CCO1 1362535874 JYGVFTFSDIGNKA-QWRGUYRKSA-N 315.337 -0.080 30 20 DBED COC(=O)C1(C#N)CCN(C(=O)N[C@@H](C)C(=O)N(C)C)CC1 1364598342 PTRHVTYVPKOYJP-JTQLQIEISA-N 310.354 -0.049 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)CNC(=O)c2ccccc2)C1 1387814877 SZDYZCYWRVETRQ-NSHDSACASA-N 314.345 -0.097 30 20 DBED C[C@@H](C#N)C(=O)N(C)C1CCN(CC(=O)N2CCOCC2)CC1 1389335466 VOXSQCIKEBHXAH-ZDUSSCGKSA-N 322.409 -0.072 30 20 DBED CC[C@H](OC)C(=O)NC[C@@H](O)CNC(=O)c1c[nH]c(C#N)c1 1410082348 JGXBYJFJOUXYMW-RYUDHWBXSA-N 308.338 -0.482 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CCC(CO)(CO)CC1 1413425438 HMRDXNGWIIFVFV-UHFFFAOYSA-N 305.400 -0.466 30 20 DBED C[C@H](C#N)C(=O)NCCN(C(=O)CCN1CCOCC1)C1CC1 1415883594 SAZWVYAZWGRRMV-CYBMUJFWSA-N 322.409 -0.024 30 20 DBED CC1=NO[C@](C)(C(=O)NCCn2cc(C#N)c(O)nc2=O)C1 1418535901 GMUOAMFBSWLRTO-ZDUSSCGKSA-N 305.294 -0.508 30 20 DBED COCCN(CCNC(=O)[C@H](C)C#N)C(=O)Cc1ccn(C)n1 1426071859 ONJIRMOZVNMNME-GFCCVEGCSA-N 321.381 -0.287 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(N(C)C(=O)C2(NC(N)=O)CC2)CC1 1427335460 BTLSQTOYQBWUIC-JTQLQIEISA-N 321.381 -0.204 30 20 DBED CNC(=O)NCC(=O)N(C)CC1CCN(C(=O)[C@H](C)C#N)CC1 1432115124 CNRCWGSWKNLXLU-LLVKDONJSA-N 323.397 -0.228 30 20 DBED CC[C@]1(CO)CCCN1C(=O)Cn1cc(C#N)c(O)nc1=O 1433925659 UWSJMEUNGOGZNI-CQSZACIVSA-N 306.322 -0.416 30 20 DBED Cn1ccc(CCNC(=O)CCn2cc(C#N)c(O)nc2=O)n1 1447358781 KEEGKKVELURKFS-UHFFFAOYSA-N 316.321 -0.697 30 20 DBED CCOC(=O)[C@H](C)[C@H](C)NC(=O)Cn1cc(C#N)c(O)nc1=O 1466367689 HFHPLIJCJVAUKV-BDAKNGLRSA-N 322.321 -0.476 30 20 DBED C[C@H](C#N)C(=O)NCc1nc(O)cc(CNC(=O)C2CC2)n1 1489969233 CYEIWJIAZYQZEO-MRVPVSSYSA-N 303.322 -0.016 30 20 DBED C[C@H](C#N)C(=O)NCC1CN(C(=O)COC[C@@H]2CCCO2)C1 1498677502 KHVVKKPAZBOAAG-YPMHNXCESA-N 309.366 -0.084 30 20 DBED CO[C@@H](C)CC(=O)NC[C@H](O)CN(C)C(=O)c1cc(C#N)c[nH]1 1511516716 SJVWBZONMBJYAR-JQWIXIFHSA-N 322.365 -0.140 30 20 DBED C[C@@H](CC(N)=O)C(=O)NCC1CN(C(=O)c2cc(C#N)c[nH]2)C1 1530848546 SSYAKBPVNKIIFV-VIFPVBQESA-N 317.349 -0.414 30 20 DBED C#Cc1cncc(C(=O)N[C@@H](C)CCNC(=O)CNC(=O)O)c1 1573313127 BRGNKGXMANSISO-JTQLQIEISA-N 318.333 -0.045 30 20 DBED C[C@@H](CNC(=O)[C@H](C)C#N)N(C)c1ccc(-c2nn[nH]n2)nn1 1573576844 KHDVLUPETOLNDM-BDAKNGLRSA-N 315.341 -0.243 30 20 DBED Cc1nc(C(=O)N[C@H]2CN(C(=O)O)C[C@@H]2CO)ccc1C#N 1574180727 MCMYDHVJWMMCCI-PWSUYJOCSA-N 304.306 -0.038 30 20 DBED N#Cc1cn(CCNC(=O)[C@H]2CC[C@@H](C(=O)O)C2)c(=O)nc1O 1574248805 OEZMATYICZGDIC-DTWKUNHWSA-N 320.305 -0.562 30 20 DBED CC(C)C#CC(=O)N[C@]1(CO)CCCN(CCc2cnn[nH]2)C1 1575318180 HRTJIYZCOFMLDQ-MRXNPFEDSA-N 319.409 -0.050 30 20 DBED C[C@@H](CCNC(=O)C#CC1CC1)NCC(=O)NCc1cnn[nH]1 1577124387 YRJPGMZEUNEHJH-NSHDSACASA-N 318.381 -0.681 30 20 DBED Cc1c(C(=O)N2CCN(C3CNC3)CC2)cnn1CCC#N 1579521939 CWHNLRCHDZHUQJ-UHFFFAOYSA-N 302.382 -0.165 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)c1ccnc(-c2nn[nH]n2)c1 1588352964 BUVJLCDFJXNQQC-QMMMGPOBSA-N 300.278 -0.444 30 20 DBED C#CCN(CC(=O)O)S(=O)(=O)c1cc(C(=O)OC)no1 1588425492 VKPPFSBKNJWWAB-UHFFFAOYSA-N 302.264 -0.830 30 20 DBED O=S(=O)(CCNCC#CCO)c1cccc(-c2nn[nH]n2)c1 1593421545 FMBHKCVHRIWLJH-UHFFFAOYSA-N 321.362 -0.774 30 20 DBED CN(C(=O)[C@@](C)(C#N)CC(=O)O)[C@H]1CCN(S(C)(=O)=O)C1 1593676444 PNVCPLZEMCRHLK-JOYOIKCWSA-N 317.367 -0.517 30 20 DBED COC(=O)[C@@H](CCC(=O)O)NS(=O)(=O)c1ccc(C#N)o1 1598894004 UHSSMWIIJVRXQH-MRVPVSSYSA-N 316.291 -0.164 30 20 DBED C#CC[C@H](NS(=O)(=O)C[C@@]1(OC(C)C)CCOC1)C(=O)O 1602698746 UAXOVRGYWOSCSI-WCQYABFASA-N 319.379 -0.034 30 20 DBED CCn1c(Cn2cnc(C#N)n2)nnc1N1C[C@H]2COC[C@H]2C1 1647693314 BJTSVGGPIPLXCV-PHIMTYICSA-N 314.353 -0.108 30 20 DBED CC#CCNC[C@H]1CCCCN1C(=O)CCNS(C)(=O)=O 1673106784 HHBFNGAPAZHXGI-CYBMUJFWSA-N 315.439 -0.080 30 20 DBED COCC#CCN[C@@H](CNC(=O)c1cc(C(N)=O)c[nH]1)C1CC1 1752489889 HMVMGJZDWYDDON-AWEZNQCLSA-N 318.377 -0.139 30 20 DBED CNC(=O)NCC(=O)NC[C@H]1CCCN(CC#CCOC)C1 1752783531 JQVQPWGLWKIEJW-CYBMUJFWSA-N 310.398 -0.607 30 20 DBED CC#CCN(C)C[C@H]1CCN(C(=O)C[C@@H]2CC(=O)NC2=O)C1 1753361319 COTFZBXXUHUDPC-OLZOCXBDSA-N 305.378 -0.157 30 20 DBED C=CCOCCN1CC(NC(=O)c2ccnc3[nH]nnc23)C1 1753383009 NQEABGWNGKZSLS-UHFFFAOYSA-N 302.338 -0.031 30 20 DBED C#CCNC(=O)CN[C@@H](CC)CNC(=O)[C@H]1CN2CCC1CC2 1753474473 XRHHGFCHSFFDDR-GJZGRUSLSA-N 320.437 -0.438 30 20 DBED C#CCNC(=O)CNC[C@@H](C)CNC(=O)[C@@H]1CCCOCC1 1753610861 LENAEIGTPCDZCF-ZIAGYGMSSA-N 309.410 -0.106 30 20 DBED C#CCCNC[C@@H](O)CNC(=O)[C@H]1COc2ccccc2O1 1753936094 PRYLWBUMJZTIIA-IUODEOHRSA-N 304.346 -0.084 30 20 DBED C=CCNC(=O)[C@@H](C)NCC[C@@H](C)NC(=O)c1cn(C)c(O)n1 1753997459 YWPZIWLSOYEZFE-GHMZBOCLSA-N 323.397 -0.086 30 20 DBED C#CCNC(=O)CN(C)C[C@@H](C)NC(=O)CC1OCCCO1 1754307850 KKJXEJBBBNYUPZ-GFCCVEGCSA-N 311.382 -0.675 30 20 DBED C#CCNC(=O)CN(C)C[C@H](C)NC(=O)[C@H]1CCCN1C(C)=O 1754335758 GROQOPDFQFBLTN-GXTWGEPZSA-N 322.409 -0.817 30 20 DBED CC#CCN1CCC(C)(NC(=O)CCS(=O)(=O)NC)CC1 1754626723 NHCGKJGYTOUFTO-UHFFFAOYSA-N 315.439 -0.080 30 20 DBED C=CC(C)(C)C(=O)NC[C@]1(O)CCN(Cc2nnn(C)n2)C1 1754755896 ZPGHRMHYOIXHSP-CQSZACIVSA-N 308.386 -0.525 30 20 DBED C=C(C)CCN1CCC(CO)(NC(=O)CCNC(N)=O)CC1 1755181106 OKPHVCDMPCAVFG-UHFFFAOYSA-N 312.414 -0.046 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@H](CO)NCc1cnn(C)c1 1755630912 SYPAQJFMDXKYCG-GJZGRUSLSA-N 319.409 -0.916 30 20 DBED C=CCCNC[C@@H](O)CN(C)C(=O)c1cnc2[nH]nnc2c1 1755781515 GLQUCTRRTXSJIV-LLVKDONJSA-N 304.354 -0.049 30 20 DBED CN(C(=O)C[C@](C)(O)C1CC1)C1CC(NCC(=O)NCC#N)C1 1755855425 PYGDNMABXCYIIV-ZUEPYMLJSA-N 322.409 -0.244 30 20 DBED CCc1cc(C(=O)NC[C@H](CO)NC(=O)C#CC(C)C)n[nH]1 1756503692 NDCBSKPJENHCRQ-GFCCVEGCSA-N 306.366 -0.162 30 20 DBED C=CCO[C@H](C)C(=O)N[C@H](CO)CNC(=O)c1ncoc1C 1756508685 ZWEOAFAWUYPOFO-MNOVXSKESA-N 311.338 -0.219 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H](CO)CNC(=O)c1oc(C)nc1C 1756511092 UVWBCNYWZKXVGC-CMPLNLGQSA-N 323.349 -0.463 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H](CO)NC(=O)Cc1ccccc1 1756520726 BZCLAAVJPSGHLJ-ZFWWWQNUSA-N 318.373 -0.139 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)/C=C\C1CC1 1756530964 XBYDAKOMCYQZCS-CYSIVNQBSA-N 319.405 -0.357 30 20 DBED C=CCO[C@H](C)C(=O)N[C@H](CO)CNC(=O)c1cncn1C 1756532749 MCORHTDCXSPOHW-MNOVXSKESA-N 310.354 -0.782 30 20 DBED CC(C)C#CC(=O)N(C)C[C@@H](O)CNC(=O)c1cc(=O)n(C)o1 1756663915 ZUGLTSRIJPSRCM-NSHDSACASA-N 323.349 -0.813 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CN(C(=O)Cc2cccnc2)C[C@H]1O 1756993665 KESHFGKQAZFFNT-HUUCEWRRSA-N 313.357 -0.275 30 20 DBED C=CCCCC(=O)N[C@@H]1CN(C(=O)[C@H]2CCNC(=O)C2)C[C@H]1O 1757029080 WQVBRARVHYIWDZ-YNEHKIRRSA-N 323.393 -0.443 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@H](O)[C@H](NC(=O)c2occc2C)C1 1757154234 JIDJWRNDFWZMLH-XQQFMLRXSA-N 320.345 -0.072 30 20 DBED C=CCOCC(=O)N1CC[C@@H](NC(=O)c2ccccn2)[C@H](O)C1 1757560385 UYHFSVBMFWDHAL-TZMCWYRMSA-N 319.361 -0.024 30 20 DBED C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3ccnnc3O)C2)C1 1779918754 MFJOERBPCZNMRB-OAHLLOKOSA-N 316.317 -0.741 30 20 DBED N#CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccon1 1794925420 OPRUWAOUKUKXQG-DDFAGTSDSA-N 304.306 -0.209 30 20 DBED CC(C)N(C)CC(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846197307 QUTNTTDXYUCDCP-UHFFFAOYSA-N 321.377 -0.382 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCCCOC(C)C)C1=O 61348476 QMLBEIAIQKSWTA-UHFFFAOYSA-N 311.338 -0.106 30 20 DBED C#CCN(C)CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21 192223417 TXPILWHZFFPSNK-UHFFFAOYSA-N 307.375 -0.212 30 20 DBED N/C(=N\CCC(=O)N[C@H]1CCS(=O)(=O)C1)NC1CCCC1 261884220 RQLJJAUEAMDPKW-NSHDSACASA-N 316.427 -0.473 30 20 DBED C/N=C(/NCCn1cncn1)N1CCS(=O)(=O)C(C)(C)C1 261966223 LMSNLZICZHNHLF-UHFFFAOYSA-N 314.415 -0.638 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCCC[C@H]2[C@@H](C)N)C1=O 262747413 KZYWPEHMBQICHH-MNOVXSKESA-N 322.365 -0.309 30 20 DBED COC(=O)C[C@@H](NS(=O)(=O)c1ccc(C#N)nc1)C(=O)O 294385002 LPQCULBNTVBJSY-SECBINFHSA-N 313.291 -0.752 30 20 DBED Cc1nc2n(n1)CCN(/C(O)=N/CCN1CCN=C(O)C1)C2 329718809 ZLFDUCNIAYARQD-UHFFFAOYSA-N 307.358 -0.412 30 20 DBED COCC[C@@H]1COCCN1/C(O)=N/C[C@@H]1CN(C)CCO1 329796778 HBMPUAHPFVIWPC-CHWSQXEVSA-N 301.387 -0.032 30 20 DBED CN(CC(=O)N1CCOC[C@@H]1C#N)S(=O)(=O)c1cccnc1 330901491 PEPHPYRKDLSDEB-NSHDSACASA-N 324.362 -0.547 30 20 DBED CCn1cc(C#N)c(=O)n(CC2(CS(C)(=O)=O)CC2)c1=O 331363908 AVRWHIYHIVDZOB-UHFFFAOYSA-N 311.363 -0.274 30 20 DBED CC1(C)CCC[C@@]1(O)CNS(=O)(=O)N1CCO[C@@H](C#N)C1 339019243 BEKBUJAGRYIFDM-WCQYABFASA-N 317.411 -0.014 30 20 DBED CNC(=O)N[C@H]1CCN(S(=O)(=O)c2ccc(C#N)nc2)C1 341967705 QAWXQHIXCPDHNC-JTQLQIEISA-N 309.351 -0.355 30 20 DBED COC[C@@H]1CN(C(=O)NCCn2cnc(C#N)n2)C[C@@H](C)O1 347636262 QZAZULXMQQITKT-MNOVXSKESA-N 308.342 -0.405 30 20 DBED C=CCOCCCN(C)CC(=O)N[C@H]1CCS(=O)(=O)C1 348056844 OIPSLUXEXNJNFG-LBPRGKRZSA-N 304.412 -0.186 30 20 DBED N#CCNC(=O)CNC(=O)NCCC(=O)NCc1ccccc1 358319159 YJUVARDUFHAXJW-UHFFFAOYSA-N 317.349 -0.368 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N1CCOC[C@@]12CCOC2 369501749 ULHGMAZCVRRPTQ-NEPJUHHUSA-N 303.384 -0.186 30 20 DBED C=CCNC(=O)NC(=O)CN1C[C@@H](N)[C@H](c2cnn(C)c2)C1 424282793 ANRZEMUVYNXJAA-NWDGAFQWSA-N 306.370 -0.842 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C(=O)[C@H](C)C#N)C[C@H]1C(=O)N(C)C 434261768 RRUDGWJUCSXYKL-WOPDTQHZSA-N 319.365 -0.567 30 20 DBED CC[C@H]1CN(CCNS(=O)(=O)N(C)CCC#N)CCO1 487368413 UAOOBEFUJZLMQE-LBPRGKRZSA-N 304.416 -0.223 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)Cc2ncc(C)s2)CC1 491689829 KPCSTTFYIJKVNJ-UHFFFAOYSA-N 320.418 -0.112 30 20 DBED C[C@H](C#N)CNC(=O)Cn1ccc2c(=O)n(C)c(=O)n(C)c21 525801011 ZXKDJOZACBNYJL-SECBINFHSA-N 303.322 -0.685 30 20 DBED Cc1ccc(CCNS(=O)(=O)N2CCO[C@@H](C#N)C2)cn1 548766706 FNTNNEGZNFKPSA-ZDUSSCGKSA-N 310.379 -0.009 30 20 DBED CO[C@@H]1COC[C@H]1NC(=O)N(C)CCCc1[nH]nc(N)c1C#N 576460740 CBKUZQHZTMCNQX-VXGBXAGGSA-N 322.369 -0.149 30 20 DBED CCN(C)S(=O)(=O)CCCS(=O)(=O)NC(C)(C)C#N 580963450 ROJCQTOGYHRSSS-UHFFFAOYSA-N 311.429 -0.120 30 20 DBED CN(C)C[C@@](C)(C#N)NC(=O)CCN1CCCS1(=O)=O 584413998 FNFHHAGIKNLXKF-GFCCVEGCSA-N 302.400 -0.628 30 20 DBED N#Cc1ccc(S(=O)(=O)NCC(=O)NCC2(CO)CC2)cc1 589449948 FNNHFRPFZNDWOQ-UHFFFAOYSA-N 323.374 -0.275 30 20 DBED CCOC(=O)Cn1ccc(NC(=O)[C@H](C)n2cnc(C#N)n2)n1 594159270 BBRYJNXBHMRIJX-VIFPVBQESA-N 317.309 0.109 30 20 DBED N#CCc1cccc(S(=O)(=O)N[C@@]2(C(N)=O)CCOC2)c1 594493573 QLNHLUSCFWBUFI-ZDUSSCGKSA-N 309.347 -0.325 30 20 DBED C[C@H]1CN(C(=O)C(=O)N2CCN(CCC#N)CC2)[C@@H](C)CO1 601431962 UUYXFLCWPSLDMP-STQMWFEESA-N 308.382 -0.320 30 20 DBED C[C@](C#N)(NC(=O)Cn1cc(CN2CCNCC2)nn1)C1CC1 603182434 OCCFZIGFHIHFOW-OAHLLOKOSA-N 317.397 -0.508 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@]23CCC[C@@H]2CNC3)C1=O 634766917 AKGLTFBTSAHLQG-BMIGLBTASA-N 320.349 -0.779 30 20 DBED CC#CCNCc1cn(CC(=O)N(C)Cc2cnn(C)c2)nn1 641027218 SPIODGVIUIMCQE-UHFFFAOYSA-N 315.381 -0.217 30 20 DBED C=CCCS(=O)(=O)NC[C@H]1CCC[C@]12NC(=O)NC2=O 675756586 XVIKJJDNLBXZBI-SKDRFNHKSA-N 301.368 -0.140 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCCOC[C@@H]2C)C1=O 676507936 LTGFEZGKKMOXGM-JTQLQIEISA-N 309.322 -0.399 30 20 DBED Cn1c(=O)n(CC(=O)OCC(=O)NCC#N)c2ccccc21 731238144 XDOMRBOXRWIXFS-UHFFFAOYSA-N 302.290 -0.477 30 20 DBED COC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1C#N)C(N)=O 758480446 DLLGESIDQJVUQH-SECBINFHSA-N 317.754 -0.010 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCN(c2nc(N)ns2)CC1 758598303 ZREJHMMZQMOVPK-NSHDSACASA-N 320.422 -0.134 30 20 DBED C#C[C@H](NC(=O)N(C)[C@@H]1CCS(=O)(=O)C1)[C@H]1CCCO1 776224490 LCESBRUVRNWUAY-GRYCIOLGSA-N 300.380 -0.004 30 20 DBED C#CCCS(=O)(=O)NC(=O)c1cn(Cc2ccccn2)nn1 788072600 WLJVYRVLZJGHNE-UHFFFAOYSA-N 319.346 -0.196 30 20 DBED Cc1ccn(CC(=O)NS(=O)(=O)CC2(C#N)CC2)c(=O)c1 793211893 HAWBLPKQGSNKBT-UHFFFAOYSA-N 309.347 -0.094 30 20 DBED C=CCC(F)(F)C(=O)NCCS(=O)(=O)N1CCOCC1 815159086 HZJQYECQRDCKBO-UHFFFAOYSA-N 312.338 -0.024 30 20 DBED C#CCN(C(=O)Cn1cnc(-c2nn[nH]n2)n1)C1CCCC1 819697788 KTFYIYWUPFSIMC-UHFFFAOYSA-N 300.326 -0.137 30 20 DBED CCN1C(=O)[C@@H]2CN(C(=O)[C@](C)(C#N)CC(=O)O)CCN2C1=O 820348238 MSCARGJMEQNAPX-XPTSAGLGSA-N 322.321 -0.514 30 20 DBED N#CCCN(CCN1CCOCC1)C(=O)C[C@@H]1CCC(=O)N1 824902029 PJRSTNQWEROMPD-ZDUSSCGKSA-N 308.382 -0.270 30 20 DBED C=C[C@@H]1OCCC[C@H]1NC(=O)NCCS(=O)(=O)NCC 836292957 NKZJPDCCIPMTRQ-MNOVXSKESA-N 305.400 -0.042 30 20 DBED CC(C)(CN)NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 843336618 ASJXTGIZPNVFOZ-UHFFFAOYSA-N 324.406 -0.031 30 20 DBED CN(Cc1cn(C)nn1)c1cccc(S(N)(=O)=O)c1C#N 853860710 MXGDLSACXPIJQI-UHFFFAOYSA-N 306.351 -0.029 30 20 DBED CN1C(=O)CN(CC(=O)OCC(=O)N[C@@](C)(C#N)C2CC2)C1=O 860300918 GMJBXLWOZKAAIB-AWEZNQCLSA-N 322.321 -0.768 30 20 DBED CCS(=O)(CC)=NS(=O)(=O)N1CCN(CC#N)CC1 866696044 FYFLPUZKQSJAPW-UHFFFAOYSA-N 308.429 -0.120 30 20 DBED C#CCSCC(=O)OCC(=O)NCC(=O)NC(C)(C)C 885896736 QZLBHWMGIZRGDZ-UHFFFAOYSA-N 300.380 -0.073 30 20 DBED CNC(=O)[C@H](C#N)C(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 917004997 IIYMLGBVDIXDEW-DDLVRULKSA-N 301.302 -0.752 30 20 DBED Cn1cc(C(=O)N[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)nn1 937901773 GFILRZUTUHKAFO-JTQLQIEISA-N 313.321 -0.341 30 20 DBED N#Cc1cc(C(=O)N2CC[C@H](NC(=O)[C@@H]3CCNC3=O)C2)c[nH]1 938406767 LRQBOAIHXZLDMI-CMPLNLGQSA-N 315.333 -0.647 30 20 DBED C[C@H](C#N)C(=O)N1CC(N(C)C(=O)[C@@H]2CCCN2C(N)=O)C1 954671820 OGDUDRCFWXFBDX-KOLCDFICSA-N 307.354 -0.642 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(C)(NC(=O)[C@H]2CCC(=O)N2)CC1 956314616 JDRGFMDIPAHDBI-WDEREUQCSA-N 306.366 -0.078 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](CNC(=O)c2cnc(O)n2C)C1 958318683 FXIFBMCVULMLCE-KOLCDFICSA-N 314.773 -0.099 30 20 DBED C=CCCN1C[C@@H](O)[C@@H](CNC(=O)c2cc(C(N)=O)c[nH]2)C1 958524656 BIIBCPBSMSMLHY-WCQYABFASA-N 306.366 -0.288 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cnsn2)C1 958660003 IHHYKLOYGSTDMA-JEZHCXPESA-N 309.351 -0.659 30 20 DBED C#CCNC1CCC(N(C)C(=O)CN2CCN(C)C(=O)C2)CC1 963582231 OKVMGQAALBOEIH-UHFFFAOYSA-N 320.437 -0.247 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H]1COCCN1C(=O)COC 964233301 VVBWIYHKOPKJLI-KBPBESRZSA-N 323.393 -0.926 30 20 DBED C=CCCN1CC[C@H](C)[C@H](NC(=O)CN2C(=O)CNC2=O)C1 968628425 YIHFDGBOQBXYDB-NWDGAFQWSA-N 308.382 -0.059 30 20 DBED C=CCN1C[C@H]2CC[C@H]1CN2C(=O)CN1CC(=O)N(C)C1=O 972010453 OOYILTZLIYYNMO-NWDGAFQWSA-N 306.366 -0.258 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@]2(CN(Cc3nnnn3C)CCO2)C1 972296478 BQTBLMHIVDNKOZ-SMDDNHRTSA-N 319.369 -0.827 30 20 DBED CC#CCN1CCO[C@]2(CCN(C(=O)[C@@H]3CN(C)CCO3)C2)C1 972317254 SVQCOBXJTWRHSD-DOTOQJQBSA-N 321.421 -0.356 30 20 DBED N#Cc1cc(C(=O)N2CC[C@@]3(CN(CCO)CCO3)C2)c[nH]1 972352336 NDDNANPHPWSEPU-OAHLLOKOSA-N 304.350 -0.204 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2[C@@H]3CN(C(=O)CC(N)=O)C[C@@H]32)cn1 976914774 HFXHOVWCKOCIJA-JYAVWHMHSA-N 312.329 -0.875 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)CC(N)=O 977810660 UDFLQUWQVNVNGR-UPJWGTAASA-N 323.393 -0.098 30 20 DBED C#CCCN1CCCN(C(=O)C2CC3(C2)NC(=O)NC3=O)CC1 982172486 AMTPRAWWJRVNMP-UHFFFAOYSA-N 318.377 -0.468 30 20 DBED CN(CC#N)C1CCN(C(=O)c2cnc(O)n(C)c2=O)CC1 985570770 YDLNWRRZLDNUHR-UHFFFAOYSA-N 305.338 -0.454 30 20 DBED CN(C[C@H]1CCN(C(=O)C#CC2CC2)C1)C(=O)[C@@H]1COC(=O)N1 987985952 QPEUHUIWCGRNEG-OLZOCXBDSA-N 319.361 -0.185 30 20 DBED O=C(Cc1ncc[nH]1)N[C@H]1CCN(C(=O)C#CC2CC2)C[C@H]1O 991725346 VTOQVGZJAXHHST-QWHCGFSZSA-N 316.361 -0.556 30 20 DBED C#Cc1cncc(C(=O)NC2CN(C(=O)C(C)(C)C(N)=O)C2)c1 999316798 ALNYHXMURBGEQT-UHFFFAOYSA-N 314.345 -0.485 30 20 DBED C#Cc1cncc(C(=O)N2CC(CNC(=O)c3cn(C)nn3)C2)c1 1001719196 JGHVXXBJELUXHJ-UHFFFAOYSA-N 324.344 -0.307 30 20 DBED C#Cc1cncc(C(=O)NCC2CN(C(=O)c3nc[nH]n3)C2)c1 1004199519 RFXFITVDSGXHBF-UHFFFAOYSA-N 310.317 -0.317 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](NC(=O)CN2CCOCC2)C(C)(C)C1 1008053197 KQBOAHOFYXDJHV-STQMWFEESA-N 322.409 -0.169 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)C(N)=O)C1 1008200514 QFJIXIWTSBJFGY-BUWBCJGYSA-N 321.377 -0.440 30 20 DBED N#Cc1c[nH]c(C(=O)N2CCCC3(CN(C(=O)C(N)=O)C3)C2)c1 1010821627 SQNBTFUYAJKYOH-UHFFFAOYSA-N 315.333 -0.564 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCCN(C(=O)[C@@H]3COC(=O)N3)C2)C1 1010829253 CUMDDRMXQCFLFP-MNOVXSKESA-N 320.349 -0.295 30 20 DBED C[C@H]1[C@H](NC(=O)c2c[nH]c(=O)cn2)CCN1C(=O)C#CC1CC1 1011739866 VLBMERWTADVVQJ-CMPLNLGQSA-N 314.345 -0.098 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@]23CCC[C@H]2N(C(=O)C(N)=O)CC3)c1 1014232262 JZKOGAYTLOPUJZ-ABAIWWIYSA-N 315.333 -0.375 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NCc2ncnn2C)C1 1022221063 WNZFMEWHSVKXLA-MJBXVCDLSA-N 316.409 -0.351 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2CCN([C@@H](C)C(N)=O)C2)nn1 1028850902 ANWCWMBUZSIODQ-QWRGUYRKSA-N 306.370 -0.610 30 20 DBED CCN(C(=O)[C@H]1CCN(C)S1(=O)=O)[C@@H]1CCN(CC#N)C1 1033985948 KCCGFZYSIYLILX-VXGBXAGGSA-N 314.411 -0.533 30 20 DBED C#CCN[C@H]1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)CC1 1034649381 IEVXWALGHYHHAW-XYPYZODXSA-N 304.354 -0.973 30 20 DBED C#CCN[C@H]1CC[C@H](NC(=O)[C@@H]2CN(C(C)=O)CCO2)CC1 1034786403 WSRKIPQWNDTTNI-KKUMJFAQSA-N 307.394 -0.116 30 20 DBED C#CCCN1CCO[C@H](CNC(=O)[C@H]2CCN(C)C(=O)C2)C1 1035420870 SJRQUZAZEIBXHA-UONOGXRCSA-N 307.394 -0.305 30 20 DBED C#CCN1CCO[C@H](CNC(=O)c2cc(C(N)=O)cs2)C1 1035616851 NNFSPFWCQSSYFN-LLVKDONJSA-N 307.375 -0.089 30 20 DBED C#CCN1CC2(CCN(C(=O)CC[C@@H]3NC(=O)NC3=O)CC2)C1 1035849778 HOZMKRJVQNXGKL-LBPRGKRZSA-N 318.377 -0.468 30 20 DBED C=CCCn1cc(C(=O)N[C@@H]2[C@H]3C[C@H]2N(CC(=O)NC)C3)nn1 1037620938 TWJIDZBMNFHDDS-ZKYQVNSYSA-N 318.381 -0.597 30 20 DBED C#CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)Cn1nc2n(c1=O)CCCC2 1037665559 XQWBWLDLARSUQL-TYNCELHUSA-N 315.377 -0.797 30 20 DBED CC(C)C#CC(=O)NC[C@]1(O)CCN(C(=O)[C@H](O)C(C)C)C1 1039664752 WYRXSCAGOVTUHO-GDBMZVCRSA-N 310.394 -0.258 30 20 DBED Cc1cc(C(=O)N2CC[C@@](O)(CNC(=O)C#CC3CC3)C2)n[nH]1 1039676993 CGVZMYKORCOTTG-MRXNPFEDSA-N 316.361 -0.175 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)c2csnn2)C1 1040373629 CRCHZNWIUWKZOC-UFBFGSQYSA-N 309.351 -0.609 30 20 DBED C=CC(C)(C)C(=O)NC[C@@]1(O)CCN(C(=O)c2cnnn2C)C1 1040488346 LJXPKBXGBJORTH-HNNXBMFYSA-N 321.381 -0.280 30 20 DBED N#Cc1cnc(N2C[C@@H](O)[C@H](NC(=O)c3cnn[nH]3)C2)c(F)c1 1041434699 QBCWDNATTBRDOR-GHMZBOCLSA-N 317.284 -0.810 30 20 DBED C[C@@H]1C[C@@H]1CC(=O)N1CC(O)(CNC(=O)CSCC#N)C1 1041571412 YMBBWJFYZYZXBP-GHMZBOCLSA-N 311.407 -0.021 30 20 DBED C#CCN1CC[C@H]2CCN(C(=O)CN3C(=O)CCC3=O)C[C@H]21 1042346250 QRPINBUHWIVIBY-QWHCGFSZSA-N 303.362 -0.309 30 20 DBED N#Cc1c[nH]c(C(=O)NCC2(O)CN(C(=O)[C@@H]3CCCO3)C2)c1 1042391909 KJTBQLZRMOSHIM-LBPRGKRZSA-N 318.333 -0.632 30 20 DBED N#Cc1ccc(C(=O)NCC2(O)CN(C(=O)c3cocn3)C2)[nH]1 1042608472 DEVPNEGVRPTHOU-UHFFFAOYSA-N 315.289 -0.509 30 20 DBED Cn1cc(CC(=O)N2CC(O)(CNC(=O)C#CC3CC3)C2)cn1 1042957847 ALAQFLICHSRRBA-UHFFFAOYSA-N 316.361 -0.935 30 20 DBED C=C(C)CCC(=O)NCC1(O)CN(C(=O)c2cncnc2O)C1 1043319286 CULDYMMBULIHFI-UHFFFAOYSA-N 320.349 -0.158 30 20 DBED Cc1ncc(CC(=O)NCC2(O)CN(C(=O)C#CC3CC3)C2)o1 1043448344 FDVFRQZARRMOLT-UHFFFAOYSA-N 317.345 -0.372 30 20 DBED CNC(=O)CCCCC(=O)NCC1(O)CN(C(=O)[C@@H](C)C#N)C1 1043561952 JBWQPUXSFMVZNB-NSHDSACASA-N 324.381 -0.858 30 20 DBED C=CCCOCC(=O)NCC1(O)CN(C(=O)c2[nH]cnc2C)C1 1043569477 WSWHOBQWNGZNJO-UHFFFAOYSA-N 322.365 -0.386 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)[C@H](CCC)OC)C1 1044389767 DDWBENMMYNEJKV-LBPRGKRZSA-N 314.382 -0.306 30 20 DBED C=C1CC(C)(C(=O)N2CC(O)(CNC(=O)c3nc[nH]n3)C2)C1 1044770806 JUVNTABRCCVPEW-UHFFFAOYSA-N 305.338 -0.536 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(O)(CNC(=O)[C@H](F)CC)C1 1044801177 QBEQTRWBASFKFC-MFKMUULPSA-N 302.346 -0.249 30 20 DBED C=C[C@H](C)[C@@H](C)C(=O)NCC1(O)CN(C(=O)CNC(C)=O)C1 1044976353 UMVJIINVXJTGBE-WDEREUQCSA-N 311.382 -0.730 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCO[C@@H]2C)C1 1045293674 QEWZSTJJIFSNJQ-CHWSQXEVSA-N 308.378 -0.096 30 20 DBED CCO[C@H](C(=O)N1CC(O)(CNC(=O)[C@H](C)C#N)C1)C1CC1 1045551726 LGNQGBMGBCQBDE-PWSUYJOCSA-N 309.366 -0.349 30 20 DBED C#CCN1CC[C@@H](N2CCN(C(=O)[C@]3(C)CCNC3=O)CC2)C1 1046060958 GMLLRUFVBZAOSH-RHSMWYFYSA-N 318.421 -0.636 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)CC(C)(F)F)C1 1046172921 DHORZVONSCBSTJ-UHFFFAOYSA-N 318.320 -0.239 30 20 DBED C=CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2cc3n(n2)CCO3)C1 1047411577 ZOEGQMZFRSXVHU-STQMWFEESA-N 306.366 -0.031 30 20 DBED C=CCCC(=O)N(C)[C@H]1CN(C(=O)CCn2ccnn2)C[C@@H]1O 1048511001 ZSRIVHYLQJNRKS-STQMWFEESA-N 321.381 -0.336 30 20 DBED C#Cc1cncc(C(=O)N2C[C@@H]3CN([C@H]4CCNC4=O)C[C@@H]3C2)c1 1049047528 KKLVUPLKGQLSAO-XHSDSOJGSA-N 324.384 -0.045 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)C23CCN(CC2)C3)C[C@@H]1O 1049394162 ICWDIXQVPDEKKG-AVGNSLFASA-N 320.393 -0.728 30 20 DBED Cc1n[nH]c(C)c1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)C#N)C1 1049395114 QUYICUTZCZGBLH-ZHAHWJHGSA-N 319.365 -0.170 30 20 DBED N#CCN1CCOC[C@@H]1CNC(=O)c1cnn2ncccc12 1050957538 MOSPXULMPMUAOA-NSHDSACASA-N 300.322 -0.317 30 20 DBED C=CCOCC(=O)N[C@H](C)[C@@H]1CCN(C(=O)c2cnn(C)n2)C1 1051183057 WXIHSECISHXZHJ-VXGBXAGGSA-N 321.381 -0.016 30 20 DBED N#Cc1cccnc1N1CC[C@@H](NC(=O)c2cnn[nH]2)[C@@H](O)C1 1051807317 UAJWEZCGPAJQEF-PWSUYJOCSA-N 313.321 -0.559 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)Cc1nonc1C)CCO2 1053494232 ORZFTBLMEDCQDZ-UHFFFAOYSA-N 304.350 -0.143 30 20 DBED C=CC(C)(C)C(=O)NC1CCN(CCNC(=O)C(N)=O)CC1 1055629962 PHOPYPLSIHQFDF-UHFFFAOYSA-N 310.398 -0.619 30 20 DBED C[C@@H](C#N)C(=O)N[C@]1(CO)CCCN(C(=O)c2ccn(C)n2)C1 1056097731 UWWYCNBSCZWTQT-XHDPSFHLSA-N 319.365 -0.337 30 20 DBED Cn1cnc(C(=O)NC2[C@@H]3CN(c4ncccc4C#N)C[C@@H]23)n1 1056203267 RLFFUHPIPKLQRO-GHMZBOCLSA-N 309.333 -0.054 30 20 DBED N#Cc1cncc(N2C[C@H]3C(NC(=O)[C@H]4CCNC4=O)[C@@H]3C2)n1 1056355230 GXJWNJROFXRJJK-HBNTYKKESA-N 312.333 -0.965 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)Cc1cnn(C)c1 1057439530 QKWIISRRJOTTDF-UHFFFAOYSA-N 320.393 -0.297 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)c1cnn2cc[nH]c12 1058258716 HAANKTVOAQSWCG-JTQLQIEISA-N 318.337 -0.627 30 20 DBED C=C(C)CCC(=O)NCCN(CCO)C(=O)C1(C(N)=O)CC1 1058634466 VAWJWBMNVBEMLK-UHFFFAOYSA-N 311.382 -0.455 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)C(C)(C)N1CCCC1 1058660601 DHEMNZHZJYPGKD-ZDUSSCGKSA-N 324.425 -0.042 30 20 DBED CN1C[C@@H](C(=O)N2CC[C@H](Nc3ccc(C#N)cn3)C2)NC1=O 1059023554 YMBFHZUYKQHCKR-RYUDHWBXSA-N 314.349 -0.010 30 20 DBED C#CCO[C@H](C)C(=O)N1CCOC[C@@H]1CNC(=O)COCC=C 1061423283 GZSXJSLMJUUZPP-KGLIPLIRSA-N 324.377 -0.429 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)CN(C)C1CCC1 1061663924 RYKWAUODKWAHPT-GXTWGEPZSA-N 322.409 -0.026 30 20 DBED C#CCNC(=O)CC(=O)NCC1(NC(=O)[C@H](C)C#N)CCC1 1062829188 CNXJDANMWSEWGV-LLVKDONJSA-N 304.350 -0.559 30 20 DBED CN(C(=O)[C@H]1C[C@H]1C(N)=O)[C@@H]1CCN(c2cncc(C#N)n2)C1 1063029192 DXHQCBQERGMZSV-UTUOFQBUSA-N 314.349 -0.493 30 20 DBED CC(C)C#CC(=O)NC1(CNC(=O)CCn2cnnn2)CCC1 1064199988 OEIWQTFCTGOOAF-UHFFFAOYSA-N 318.381 -0.122 30 20 DBED COCCOCC(=O)N1CCO[C@H](CNC(=O)[C@H](C)C#N)C1 1064985300 HHSHNAAKDVGTSJ-VXGBXAGGSA-N 313.354 -0.847 30 20 DBED C=C(C)CCC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)CCO1 1065540738 VCQSMHUFVIKRCP-NEPJUHHUSA-N 324.381 -0.632 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)Cn2cncn2)CCO1 1065637699 GGBWDTRALWTKQH-GFCCVEGCSA-N 307.354 -0.412 30 20 DBED C#CCO[C@H](C)C(=O)N(C)CCCN(C)C(=O)C1(C(N)=O)CC1 1067431909 YULPSHBIFJGZJE-GFCCVEGCSA-N 323.393 -0.403 30 20 DBED C[C@@H]1C[C@H](CNc2ccc(C#N)nn2)CN1C(=O)CC(N)=O 1068302689 JSITWOMBGHLWMT-NXEZZACHSA-N 302.338 -0.127 30 20 DBED C=CCCC(=O)N1CC2(C[C@H](NC(=O)[C@H](C)NC(C)=O)CO2)C1 1068682097 LIKVSWVIPQXMPN-AAEUAGOBSA-N 323.393 -0.037 30 20 DBED C=CCCC(=O)N[C@@H]1COC2(C1)CN(C(=O)CNC(C)=O)C2 1068744670 OUTWFWUFUWXDEV-LBPRGKRZSA-N 309.366 -0.425 30 20 DBED C=CCOCC(=O)N[C@@H]1COC2(C1)CN(C(=O)c1ncc[nH]1)C2 1068764144 KRPOLFLMPWDJHM-NSHDSACASA-N 320.349 -0.288 30 20 DBED N#CCN1CCn2ncc(CNC(=O)C3=COCCO3)c2C1 1069851803 WOLHHHFKZPPNQH-UHFFFAOYSA-N 303.322 -0.273 30 20 DBED C=CCCC(=O)NC1(CNC(=O)CNC(N)=O)CCOCC1 1070030555 JTRWZGBBBYYBHV-UHFFFAOYSA-N 312.370 -0.598 30 20 DBED CNC(=O)CC(=O)NC1(CNC(=O)[C@H](C)C#N)CCOCC1 1070086515 YRBOPIBADPAUOY-SNVBAGLBSA-N 310.354 -0.936 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)Cn2ccnc2)CCOCC1 1070234112 NKWZXFYRHPAFIK-GFCCVEGCSA-N 319.365 -0.176 30 20 DBED N#CCN1C[C@H]2C[C@H]3CN(C(=O)CO[C@H]4CCOC4)C[C@@]3(C1)O2 1070799833 LMAKYJGBNQZCJN-TTZDDIAXSA-N 321.377 -0.383 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)C23CCN(CC2)C3)CC1 1071015778 SUXVXWPGLSRKHQ-UHFFFAOYSA-N 320.437 -0.081 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H](N2CCN(CCO)CC2=O)C1 1071259164 ZZOUXHNXDKQCET-STQMWFEESA-N 308.382 -0.726 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(C(=O)Cn2cccn2)C[C@@H]1C 1071598969 GPSXRAFAKKCNAE-UONOGXRCSA-N 318.377 -0.114 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@@H]1C 1071726076 HAZDUEAOIUDKLK-NWDGAFQWSA-N 314.407 -0.202 30 20 DBED C#CCCCC(=O)N1C[C@@H](NC(=O)CC(=O)NCC#C)[C@H](C)C1 1072000230 SXMMBWHMPOJEIG-ZIAGYGMSSA-N 317.389 -0.108 30 20 DBED COc1cncc(C(=O)NC[C@@H]2CN(CC#N)CCCO2)n1 1073804153 FIGOALRIEMKSGE-LLVKDONJSA-N 305.338 -0.171 30 20 DBED C=CCCn1cc(C(=O)NC[C@@H]2CN(CCO)CCCO2)nn1 1073812716 BMAVEOJWTCGHFY-CYBMUJFWSA-N 323.397 -0.333 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)c3nccnc3N)C[C@@H]21 1074195297 SMOWAQRTCKUGMN-RYUDHWBXSA-N 301.350 -0.393 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)c3coc(C(N)=O)c3)C[C@H]21 1074302950 ZWCHYFVOBORDNP-CHWSQXEVSA-N 317.345 -0.073 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](NC(=O)C(F)F)C[C@H]1C 1074749069 HZRMTKIFDVFXHT-ZJUUUORDSA-N 315.320 -0.113 30 20 DBED C[C@@H](CCNC(=O)c1c[nH]c(C#N)c1)NC(=O)[C@@H]1CCNC1=O 1076218974 NSVUTZIPWHJDLV-JOYOIKCWSA-N 317.349 -0.353 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CN(Cc3cnns3)C[C@H]2O)c1 1076856066 ZVWISADWJXAKPE-VXGBXAGGSA-N 318.362 -0.287 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC(=O)N(C(C)C)C2)C1 1077083605 AVGIFFGJBSGARB-MGPQQGTHSA-N 309.410 -0.019 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3cnn(C)c3C2)C1 1077573682 QDOUCVVATPYGKY-JGGQBBKZSA-N 316.405 -0.290 30 20 DBED CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)[C@@]2(C)CCNC2=O)C1 1080416827 QYSBPZWSAZYSGX-BONVTDFDSA-N 306.366 -0.268 30 20 DBED C#Cc1ccc(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)COC)C2)cn1 1081180230 BRVTZNQQDYQALB-GXTWGEPZSA-N 317.345 -0.742 30 20 DBED CCN(CC)CC(=O)N1C[C@H](O)[C@H](CNC(=O)C#CC(C)C)C1 1081463671 QKJYNPKNFKVIKH-CABCVRRESA-N 323.437 -0.077 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(C(=O)c2cnccn2)C[C@@H]1O 1081469491 XMUHLHFRJCAZSA-OCCSQVGLSA-N 314.345 -0.561 30 20 DBED C#CCCN1C[C@@H](NC(=O)[C@H]2C[C@@H](C)CC(=O)N2)[C@H](OC)C1 1081683991 ZWLAYESZYNEOMW-AAVRWANBSA-N 307.394 -0.260 30 20 DBED C=CCCN1C[C@@H](NC(=O)c2cc(=O)n(C)cn2)[C@H](OC)C1 1081808608 VFXQVNLADLVKLC-CHWSQXEVSA-N 306.366 -0.215 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)c2ccc(=O)n(C)n2)C1 1084028138 IMEWXUXKMQPINP-MNOVXSKESA-N 312.757 -0.692 30 20 DBED N#CCN1CC[C@@H]2CN(C(=O)c3cn([C@@H]4CCOC4)nn3)[C@@H]2C1 1084762629 HIISVZQEMAUANR-YRGRVCCFSA-N 316.365 -0.091 30 20 DBED C=CCN1CC[C@@H](NC(=O)c2cnc3[nH]nnc3c2)[C@H](O)C1 1090327355 QRGHFRJKGYNODL-ZYHUDNBSSA-N 302.338 -0.296 30 20 DBED CO[C@H](C)C(=O)N[C@@H]1CN(c2nc(C)cc(C#N)n2)C[C@H]1O 1090378060 QYBAHPFPRYWXLU-YUSALJHKSA-N 305.338 -0.643 30 20 DBED CN(C)c1ccc(C(=O)N[C@H]2CCN(CC#N)C[C@H]2O)cn1 1090384204 IMKILUNJTQGZGH-QWHCGFSZSA-N 303.366 -0.164 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CN(c2ncnc3scnc23)C[C@H]1O 1090404615 QXSCXEWUSKKMFI-DJLDLDEBSA-N 318.362 -0.088 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2cn(CC=C)nn2)[C@@H](O)C1 1090639127 VYGJRLTVAHAITB-JSGCOSHPSA-N 303.366 -0.348 30 20 DBED Cn1ncc2cc(C(=O)N[C@H]3CCN(CC#N)C[C@H]3O)cnc21 1090680602 WYSVPTBAKNZCOK-QWHCGFSZSA-N 314.349 -0.343 30 20 DBED CN(C)c1ccncc1C(=O)N[C@H]1CCN(CC#N)C[C@H]1O 1090733906 IHBGPTNLWLOLLN-GXTWGEPZSA-N 303.366 -0.164 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2noc3c2COCC3)[C@H](O)C1 1090822676 DSPCMSLZNNQMJU-GHMZBOCLSA-N 306.322 -0.564 30 20 DBED CC(=O)NCC[C@H]1CN(c2ccnc(C#N)n2)CCS1(=O)=O 1091303612 PTFOEYMKMJKQQR-NSHDSACASA-N 323.378 -0.522 30 20 DBED C[C@@H]1[C@@H](NC(=O)CC(=O)N(C)C)CCN1c1cnc(C#N)cn1 1092058693 AYDBQVZPCUWSEB-PWSUYJOCSA-N 316.365 -0.090 30 20 DBED Cc1nonc1C(=O)N[C@@H]1CC2(CN(CC#N)C2)n2ccnc21 1092414597 FYPCFMIJOHEWOH-SNVBAGLBSA-N 313.321 -0.016 30 20 DBED CNC(=O)CC(=O)NC1[C@@H]2CN(c3cncc(C#N)n3)C[C@@H]12 1093241851 MNHNGJMNWXIAEX-NXEZZACHSA-N 300.322 -0.965 30 20 DBED N#Cc1c[nH]ccc1=NCCNC(=O)[C@@H]1CCc2nncn2C1 1093668541 PPEUKEKLJBHSQR-LLVKDONJSA-N 311.349 -0.243 30 20 DBED C#CCN1CC(n2cc(CNC(=O)[C@@]34COC[C@@H]3C4)nn2)C1 1094293055 VGDPCFAKNDWXHT-NHYWBVRUSA-N 301.350 -0.579 30 20 DBED CN1C[C@@H](C(=O)NCCCNc2ccc(C#N)cn2)NC1=O 1094709454 PUZORCCAWUTTKV-NSHDSACASA-N 302.338 -0.105 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)c3ccc(C#N)[nH]3)CC2=O)C1 1094727774 NYMYOYOURYSZMO-GFCCVEGCSA-N 311.345 -0.466 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)[C@]3(C)CCNC3=O)CC2=O)C1 1094783640 UFNGVIOFQDNTFN-MEDUHNTESA-N 320.393 -0.900 30 20 DBED CC(=O)NCC(=O)N1CC[C@@H](N(C)c2ccc(C#N)nn2)C1 1095088035 LQSZVOGRZSLJTF-GFCCVEGCSA-N 302.338 -0.479 30 20 DBED Cc1cc(N(C)CCCNC(=O)CNC(N)=O)c(C#N)cn1 1095468722 AGASOBWMXMRQDS-UHFFFAOYSA-N 304.354 -0.128 30 20 DBED C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC#N)N1C(=O)CCC1=O 1095495619 WLGCPWAPIBDJBU-WYUUTHIRSA-N 304.350 -0.231 30 20 DBED CCN(CCCNC(=O)[C@H]1C[C@H]1C(N)=O)c1nccnc1C#N 1095971537 OSDAHOWDOZUFNN-MNOVXSKESA-N 316.365 -0.198 30 20 DBED C=C(C)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H]1CC(=O)NC(=O)N1 1096079111 MWAPXLWNGRZZOC-RHYQMDGZSA-N 306.366 -0.118 30 20 DBED CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCN(c2ccc(C#N)nn2)C1 1096317733 YPKVLIOXPWOFCG-JOYOIKCWSA-N 302.338 -0.432 30 20 DBED CNC(=O)NCCC(=O)N[C@H]1C[C@H](N=c2cc[nH]c(C#N)n2)C1 1097018063 HKPZQBNWCKWFMM-MGCOHNPYSA-N 317.353 -0.852 30 20 DBED CC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1CCOCC1=O 1097234443 KZRCFLCXIMSOPO-MCIONIFRSA-N 305.378 -0.410 30 20 DBED CNC(=O)C1(C(=O)NC[C@@H](C)N=c2cc[nH]cc2C#N)CC1 1097938635 PGYZRYUNAAKFCZ-SNVBAGLBSA-N 301.350 -0.182 30 20 DBED C[C@@H](CNC(=O)[C@@]1(C)CCNC1=O)Nc1cncc(C#N)n1 1098261883 UTYCQVVVMBZGAL-XPTSAGLGSA-N 302.338 -0.209 30 20 DBED C[C@H](CNC(=O)c1nnc(O)nc1O)N=c1cc[nH]cc1C#N 1098435611 PHGURUYGDJABEC-SSDOTTSWSA-N 315.293 -0.798 30 20 DBED C[C@H](CCNC(=O)CS(C)(=O)=O)Nc1nccnc1C#N 1098851923 GWZWQEMRKUQPAO-SECBINFHSA-N 311.367 -0.300 30 20 DBED CNC(=O)NCCC(=O)N1C[C@H]2CC[C@H]1[C@@H]1CN(CC#N)C[C@H]21 1099468096 JCQRHMJFMDUTQT-SYQHCUMBSA-N 319.409 -0.002 30 20 DBED N#CCNC(=O)CN1CC[C@H](NC(=O)c2ccsc2)[C@@H](O)C1 1099650220 BMSLFGRVTIIWLV-RYUDHWBXSA-N 322.390 -0.447 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)CCSC)[C@H](O)C1 1099655059 WMVXFIBUUMRTDY-NWDGAFQWSA-N 315.439 -0.407 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)c2coc(C)c2)[C@H](O)C1 1099788122 BQBYBXREWLVYBH-ZIAGYGMSSA-N 319.361 -0.498 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)C#CC(C)(C)C)[C@@H](O)C1 1099827400 WUHKHXQEVJZIKR-KBPBESRZSA-N 321.421 -0.111 30 20 DBED C#CCN1CC[C@@H](NC(=O)C(C)(C)NC(=O)NCC)[C@@H](O)C1 1100024942 RIQXZUJZUDHIOS-NEPJUHHUSA-N 310.398 -0.731 30 20 DBED CN(CCNC(=O)C[C@H]1CCNC1=O)c1cnc(C#N)cn1 1100193819 UPBPXDBLHMMDRP-SNVBAGLBSA-N 302.338 -0.573 30 20 DBED C=CCNC(=O)[C@@H](C)NC1CC(CNC(=O)c2cnnn2C)C1 1100292394 XMBZQIDDPSYTCC-VOMCLLRMSA-N 320.397 -0.396 30 20 DBED C[C@H](C(=O)NCCN(C)c1nccnc1C#N)[C@@H]1CCC(=O)N1 1100334103 RWFHKIISLCDWQS-QWRGUYRKSA-N 316.365 -0.185 30 20 DBED C=CCOCCNC1CC(CNC(=O)C[C@@H]2NC(=O)NC2=O)C1 1100417476 ROCOPHCCSNUDOS-MCIGGMRASA-N 324.381 -0.729 30 20 DBED CCN(CCNC(=O)Cn1cncn1)c1nccnc1C#N 1100528286 VELGWLFDIXJCOJ-UHFFFAOYSA-N 300.326 -0.418 30 20 DBED C#CCO[C@H](C)C(=O)NCCN(CC)c1nccn2nnnc12 1100620585 PMYYTPKPEZIHGB-LLVKDONJSA-N 317.353 -0.500 30 20 DBED CCN(CCNC(=O)[C@H]1CCC(=O)N1C)c1ccc(C#N)nn1 1100690324 XVABTCFKLOPDIR-GFCCVEGCSA-N 316.365 -0.088 30 20 DBED CNC(=O)C1(C(=O)N(C)CCNc2nccnc2C#N)CC1 1101682495 JUSNZHBURPULMN-UHFFFAOYSA-N 302.338 -0.255 30 20 DBED C[C@H](CNC(=O)[C@H]1COCCO1)CNc1cnc(C#N)cn1 1103877917 JAEKMXAXYVOQCM-CMPLNLGQSA-N 305.338 -0.072 30 20 DBED C=CCOCC(=O)NC[C@@H](C)CNc1ccc2nnnn2n1 1103899881 DLZPZFYVIYOXKE-JTQLQIEISA-N 305.342 -0.114 30 20 DBED C[C@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)CNc1cnc(C#N)cn1 1104208818 IRCDBIQSLLLFPW-GDPRMGEGSA-N 302.338 -0.366 30 20 DBED C[C@H](CNc1ccc(C#N)nn1)N(C)C(=O)[C@H]1COC(=O)N1 1104546079 XHSKQLSMNFFXLH-PSASIEDQSA-N 304.310 -0.285 30 20 DBED CN(CCN(C)c1ccnc(C#N)n1)C(=O)c1cnn(C)c1N 1105375426 XCDLAKWVUWMRDN-UHFFFAOYSA-N 314.353 -0.128 30 20 DBED CCOCCOCC(=O)N1CC(n2cc(CNCC#N)nn2)C1 1105378942 MMMHTGDLTLGLAJ-UHFFFAOYSA-N 322.369 -0.672 30 20 DBED Cc1nc(NC[C@@H](O)CNC(=O)[C@H](C)C#N)nc(N(C)C)n1 1105773844 NUMYOUWKQGCRTG-SCZZXKLOSA-N 307.358 -0.705 30 20 DBED COC1CC(C(=O)NC[C@@H](O)CN=c2cc[nH]c(C#N)n2)C1 1105997351 PMPVHMFJOROTKU-YVNMAJEFSA-N 305.338 -0.916 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)Cc2cscn2)nn1 1106126620 OHGQNEHJKIOOCA-NSHDSACASA-N 318.362 -0.064 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)c2cnon2)C[C@H]1C 1106782904 BQGYYQSYSIWUGD-GHMZBOCLSA-N 305.338 -0.883 30 20 DBED C#CCOCCC(=O)NC[C@]12CCC[C@H]1N(CC(N)=O)CC2 1107404862 RTGDAMBRJMQGBJ-CZUORRHYSA-N 307.394 -0.128 30 20 DBED Cn1cc(C(=O)NC[C@@]2(C)CN(CC#N)CCO2)ccc1=O 1108048426 ULDPCTRSNORXNR-HNNXBMFYSA-N 304.350 -0.270 30 20 DBED CC#CCN1CCO[C@](C)(CNC(=O)COCCN(C)C)C1 1108342006 BDUUMEMGTCTUHN-MRXNPFEDSA-N 311.426 -0.205 30 20 DBED Cc1nsc(N(C)C[C@H](C)NC(=O)CNC(N)=O)c1C#N 1108816010 HTPLCZFDFXRZSP-ZETCQYMHSA-N 310.383 -0.068 30 20 DBED C[C@H](CN(C)c1ccncc1C#N)NC(=O)Cn1cnnn1 1108851444 YFTRWXNEFMSNPM-SNVBAGLBSA-N 300.326 -0.419 30 20 DBED CO[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N)C1CC1 1109226240 LLLPOAQHPJURQQ-OSFYFWSMSA-N 320.393 -0.227 30 20 DBED C=CCOCCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cn1cnnc1O 1110460985 YOSTZYHFJNIARU-UPJWGTAASA-N 321.381 -0.092 30 20 DBED C[C@]1(NC(=O)CS(C)(=O)=O)CCN(c2ccc(C#N)nn2)C1 1110718504 IXAYZVHMQCDVIU-ZDUSSCGKSA-N 323.378 -0.522 30 20 DBED CNC(=O)CC(=O)N[C@]1(C)CCN(c2ccnc(C#N)n2)C1 1110745975 VDJLAAREVSNZBA-CQSZACIVSA-N 302.338 -0.431 30 20 DBED N#Cc1cncc(N2CC[C@@](O)(CNC(=O)c3cn[nH]c3)C2)n1 1111050984 SJYCPSBKKJXMEF-CQSZACIVSA-N 313.321 -0.557 30 20 DBED COC[C@H](C)C(=O)N(C)[C@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1111175645 NIQYLFDOTILYBS-DRZSPHRISA-N 319.365 -0.361 30 20 DBED C[C@]1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCC#N)CCOC1 1111183126 PZKLUOBUKSGEHQ-FOCJUVANSA-N 320.393 -0.226 30 20 DBED CC(=O)NCC(=O)N[C@H]1CCCN(c2cnc(C#N)cn2)CC1 1111965191 UDKBOFLCALDLQG-LBPRGKRZSA-N 316.365 -0.041 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)C[C@@H]2COC(=O)C2)CC1 1112767160 HIVJELHXHWGCKL-OLZOCXBDSA-N 323.393 -0.226 30 20 DBED CNC(=O)CC(=O)N1CCC[C@H]1CN(C)c1nccnc1C#N 1112790378 HICOHACKYIFLQF-NSHDSACASA-N 316.365 -0.088 30 20 DBED CC(C)(C(N)=O)C(=O)NC1CC(CN=c2cc[nH]c(C#N)n2)C1 1112858175 UEXUZFKXSKUGHP-UHFFFAOYSA-N 316.365 -0.412 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)[C@H]2CCCNC2=O)CC1 1112987295 CDQMREURXOIQHP-OLZOCXBDSA-N 322.409 -0.653 30 20 DBED C[C@H](N=c1cc[nH]c(C#N)n1)[C@H](C)NC(=O)c1cc(=O)n(C)o1 1113009743 OLXDKHZDURSDEJ-IUCAKERBSA-N 316.321 -0.319 30 20 DBED C[C@@H](CNC(=O)c1nccnc1N)N(C)c1cnc(C#N)cn1 1113525641 BJYCSLNKTCFGED-VIFPVBQESA-N 312.337 -0.025 30 20 DBED C[C@@H](CNC(=O)Cc1nc[nH]n1)N(C)c1cnc(C#N)cn1 1113714275 KKXAFMWSZHWSKX-VIFPVBQESA-N 300.326 -0.350 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)CCCOCC)[C@@H]2C1 1113924902 KCLCATVCLQXBSG-CHWSQXEVSA-N 307.394 -0.401 30 20 DBED C[C@H](C#N)C(=O)NC1[C@@H]2CN(Cc3nnc4n3CCOC4)C[C@@H]12 1114067569 UDVBHVINVUHZKJ-GMTAPVOTSA-N 316.365 -0.486 30 20 DBED C#CCOCCC(=O)NC1[C@@H]2CN([C@@H](C)C(=O)NC3CC3)C[C@@H]12 1114262272 AXTISEXRKTUUMT-IACUBPJLSA-N 319.405 -0.260 30 20 DBED C#CCOCCC(=O)N[C@H]1[C@@H]2CN(CC(=O)N(C)C3CC3)C[C@@H]21 1114262744 IXZZHACYPDRTDV-HALDLXJZSA-N 319.405 -0.307 30 20 DBED C=CCCN1C[C@H]2C(NC(=O)CN(C)S(=O)(=O)CC)[C@@H]2C1 1115051986 DGHGWJYTFNDZNV-VXGBXAGGSA-N 315.439 -0.110 30 20 DBED C[C@H](CN(C)C(=O)CNC(=O)C1CC1)N=c1cc[nH]c(C#N)n1 1115618408 ZONQKRJFOPPCEK-SNVBAGLBSA-N 316.365 -0.445 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCC[C@H]1c1nncn1C 1117437297 YCYFFERDNFUKBW-NSHDSACASA-N 305.338 -0.755 30 20 DBED N#Cc1ccsc1NC(=O)C(=O)NC[C@H]1CC[C@H](C(N)=O)O1 1117748531 CWQBAOHWEZTNHN-RKDXNWHRSA-N 322.346 -0.293 30 20 DBED C=CCC1(O)CCN(C(=O)C(=O)N[C@H]2C[C@@H](C(=O)OC)C2)CC1 1119497916 HDFJXJYHMQEMKZ-TXEJJXNPSA-N 324.377 -0.016 30 20 DBED C#CCn1ccc(CN(CC)c2nnnn2CCC(=O)NC)n1 1120042456 PZVSIGMBXIQYCE-UHFFFAOYSA-N 316.369 -0.335 30 20 DBED C#CCNC(=O)C1CCN(c2nnnn2[C@@H]2CO[C@H](C)C2)CC1 1120160348 QUQVLTFCORAKTN-YPMHNXCESA-N 318.381 -0.011 30 20 DBED N#Cc1cncc(N[C@H](CO)CNC(=O)c2c[nH]c(C#N)c2)n1 1121352843 GFRSFTIYHPVPGB-LBPRGKRZSA-N 311.305 -0.249 30 20 DBED CCn1cnc(C(=O)NC[C@H](CO)N=c2cc[nH]cc2C#N)c1 1121853486 BPWNQOYKLMKBCF-GFCCVEGCSA-N 314.349 -0.206 30 20 DBED COCCC(=O)NCCNCC(=O)NCC#Cc1ccccc1 1122394721 ZARRWHRUONWJIJ-UHFFFAOYSA-N 317.389 -0.103 30 20 DBED C[C@@H]1CCCN1CC(=O)NC[C@@H](CO)Nc1ccc(C#N)nn1 1122525249 BECKDCGVSBUKRI-YPMHNXCESA-N 318.381 -0.278 30 20 DBED CC[C@H](NC(C)=O)C(=O)NC[C@H](CO)N=c1cc[nH]cc1C#N 1122644840 OLUHZTROKHUBHH-OLZOCXBDSA-N 319.365 -0.821 30 20 DBED CN(C[C@H](O)CNc1ccc(C#N)nn1)C(=O)c1cc[nH]n1 1124047263 SLHDZWMWLTXHKU-SNVBAGLBSA-N 301.310 -0.384 30 20 DBED CN(C[C@H](O)CNc1cnc(C#N)cn1)C(=O)c1cnsn1 1124090601 KPGJBLPEAORGMT-SECBINFHSA-N 319.350 -0.255 30 20 DBED CO[C@H](C)CCC(=O)N(C)C[C@@H](O)CN=c1cc[nH]c(C#N)n1 1124329899 VMVQUYOPEYUBCK-NEPJUHHUSA-N 321.381 -0.184 30 20 DBED C[C@H](NCCNC(=O)C#CC1CC1)C(=O)Nc1ncccn1 1126875809 NUWROHUSQRRERE-NSHDSACASA-N 301.350 -0.077 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)C#CC1CC1 1126886558 XCWPUUOYOBVXEP-LLVKDONJSA-N 306.366 -0.494 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1cnn(CCOC)c1C 1127217032 NLBRRLMICMGOTR-UHFFFAOYSA-N 323.397 -0.540 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CCc2nccn2C1 1130481238 NRGZCCOCVMPEBM-CHWSQXEVSA-N 319.409 -0.158 30 20 DBED C=C(C)CN1C[C@@H](F)C[C@@H]1c1n[nH]c(CNC(=O)C(N)=O)n1 1131157054 OICJMVVPSRAYHN-DTWKUNHWSA-N 310.333 -0.433 30 20 DBED CC#CCN1C[C@H]2C[C@@H]3CN(C(=O)[C@@H](COC)OC)C[C@@]3(C1)O2 1131265158 YQBLBWZJCDZRBL-KCYZZUKISA-N 322.405 -0.027 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CC[C@@H](C)N(Cc2cnon2)C1 1131979922 DQBDYYYWLLEBCH-NEPJUHHUSA-N 319.365 -0.322 30 20 DBED Cc1n[nH]cc1C(=O)N[C@H]1CC[C@@H](C)N(CC(=O)NCC#N)C1 1132214681 LXVLZJGKEBWTQQ-PWSUYJOCSA-N 318.381 -0.059 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)[C@H]1CCCc2nn[nH]c21 1132997782 LOCIHJYJMDYUGI-QWRGUYRKSA-N 320.397 -0.379 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@H](C)Oc1cccnc1 1133625977 VLJNQCJEWARPSE-LBPRGKRZSA-N 304.350 -0.696 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NCCN[C@H](C)c1nnnn1C 1134816296 BJTJFQADAVUGID-PWSUYJOCSA-N 323.401 -0.552 30 20 DBED C=CCn1cc(C(=O)NCCNCc2ccnc(OC)n2)nn1 1134981272 WJGBLHNXXOADSQ-UHFFFAOYSA-N 317.353 -0.218 30 20 DBED C=C(C)CCN[C@@H](C)C[C@@H](C)NC(=O)CNS(=O)(=O)NC 1135119947 QWLUPIRSLMGMKO-NWDGAFQWSA-N 320.459 -0.121 30 20 DBED C=C(C)CN(CC)C(=O)CNCCNC(=O)C[C@H]1CCC(=O)N1 1135219682 SNICJWPKYKIAKE-CYBMUJFWSA-N 324.425 -0.215 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)[C@H]1CCOC1)C2 1147106509 RJQSYTLGAOURQR-ZDUSSCGKSA-N 305.378 -0.693 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)Cn2ccnc2C)C1=O 1151115367 WLYHZWQSBYPQJU-CYBMUJFWSA-N 305.382 -0.316 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1ncc2n1CCCC2 1151572278 RQTRCZQLDPXFDX-UHFFFAOYSA-N 303.366 -0.712 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)[C@H]1CCCN1C 1152386654 NTOOEKOZBNADBE-CHWSQXEVSA-N 309.414 -0.453 30 20 DBED CCN(CC#N)[C@H](C)CNC(=O)[C@H]1CCN(C)S1(=O)=O 1155751338 OHPQDCWVASVUSB-GHMZBOCLSA-N 302.400 -0.630 30 20 DBED C#CCCN(CC)[C@H](C)CNC(=O)C1CC2(C1)NC(=O)NC2=O 1155764109 MBUQEFCZNFXULS-OPGSHWCFSA-N 320.393 -0.176 30 20 DBED C#CCOCCC(=O)NCCC1=CCN(CC(=O)NC)CC1 1160107615 PLTROFNVNXFQBD-UHFFFAOYSA-N 307.394 -0.089 30 20 DBED C=CCNC(=O)[C@@H](C)NCC1(CCNC(=O)CC(=O)NC)CC1 1164263434 MMKIPINJYRSAAD-GFCCVEGCSA-N 324.425 -0.311 30 20 DBED N#CCNC(=O)CNCCCNC(=O)c1ccc2n[nH]cc2c1 1165287204 RSZGLWGKYHQYNR-UHFFFAOYSA-N 314.349 -0.088 30 20 DBED C=CCNCC1(CCNC(=O)CNC(=O)CNC(C)=O)CC1 1165796433 MOSIABLHOOCHAJ-UHFFFAOYSA-N 310.398 -0.699 30 20 DBED C#CCCNCC1(CCNC(=O)c2nnc(O)nc2O)CC1 1165992779 HKQDOIRFBNUKIB-UHFFFAOYSA-N 305.338 -0.204 30 20 DBED C#CCNC(=O)CNCC1(CCNC(=O)c2csnn2)CC1 1166431327 NPZRAKCYQLVFRX-UHFFFAOYSA-N 321.406 -0.223 30 20 DBED C=CCN(CC=C)C(=O)CNCCCNC(=O)c1cnn(C)n1 1168333343 LQBWDNNSUHUIGS-UHFFFAOYSA-N 320.397 -0.275 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)c1c(C)n[nH]c1C 1168578228 BQPKIKJLYTYINI-GFCCVEGCSA-N 305.382 -0.126 30 20 DBED C=CCNC(=O)NC(=O)CNCCCNC(=O)Cc1ccco1 1168908934 LLCYETTVIRGTFS-UHFFFAOYSA-N 322.365 -0.070 30 20 DBED C#CCNC(=O)CNCCCC[C@H](C)NC(=O)[C@@H](C)NC(C)=O 1168992107 JGZBONNUUVUJJE-QWHCGFSZSA-N 324.425 -0.475 30 20 DBED CC#CCN1CCO[C@@H]2CCN(C(=O)COCCOC)C[C@H]21 1176969954 QNDFKPBJXHDHTI-HUUCEWRRSA-N 310.394 -0.026 30 20 DBED C=CCN1CCO[C@@H]2CCN(C(=O)CS(=O)(=O)CC)C[C@H]21 1177149839 DFQRYWAKKAFLKG-CHWSQXEVSA-N 316.423 -0.091 30 20 DBED Cc1cnc(C(=O)N2CC[C@H](NCC(=O)NCC#N)[C@@H]2C)cn1 1178050803 DTVMTYNXEHIIRP-RYUDHWBXSA-N 316.365 -0.383 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)c2cnn[nH]2)[C@H]1C 1179045693 PKMVAEZZMSELNN-VWYCJHECSA-N 304.354 -0.865 30 20 DBED C=CCn1cc(C(=O)NCCCCCCNCC(N)=O)nn1 1179773109 KYZWEKMSKZDDNJ-UHFFFAOYSA-N 308.386 -0.171 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)c2nonc2C)[C@H]1C 1180288240 VKHZIDCCLSXVPV-WOPDTQHZSA-N 319.365 -0.291 30 20 DBED N#CCSCC(=O)N1CC[C@@H](NCc2nnnn2C2CC2)C1 1181107238 UINLSJNWGADOKX-SNVBAGLBSA-N 321.410 -0.045 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CCCO[C@H]2C=C)C1 1182670887 VOXKAVPVDRWRKS-KFWWJZLASA-N 319.405 -0.093 30 20 DBED CCN1C[C@@H](C(=O)N2CC[C@@H](NCC#CCOC)C2)CC1=O 1182981085 CZGANPGYLVJJSQ-UONOGXRCSA-N 307.394 -0.305 30 20 DBED CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CC[C@@H](NCC#N)C1 1185377256 FEYVTVMGCDYDEG-YPMHNXCESA-N 304.354 -0.829 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)C[C@H](C)n2ccnc2)C1 1185959429 KDQIOFJVPSXNTP-UONOGXRCSA-N 317.393 -0.226 30 20 DBED CC#CCN(C)[C@@H]1CCN(C(=O)Cn2ccc(O)nc2=O)C1 1191189618 ZJGWLZLJUWREHF-GFCCVEGCSA-N 304.350 -0.495 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)CCOCC(C)C)C1 1191255807 SRUHRVLVBAFZNW-HUUCEWRRSA-N 312.410 -0.140 30 20 DBED CC#CCN(C)[C@H]1CCN(C(=O)c2cnc(O)n(C)c2=O)C1 1191674488 JEJGFYCJCVVFIC-NSHDSACASA-N 304.350 -0.345 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)C[C@@](C)(O)C2CC2)C1 1192306720 OUUDMNZDSNJCIO-IIAWOOMASA-N 310.394 -0.651 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)Cc2ncc[nH]2)C1 1193047652 ICCLHNLZHKNSPK-LBPRGKRZSA-N 305.382 -0.213 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)CCCN2C(=O)CCC2=O)C1 1193520626 SLQADYSYWCKIGY-CHWSQXEVSA-N 321.377 -0.900 30 20 DBED C#CCN(C)[C@@H]1CCN(C(=O)CCNC(=O)c2cnccn2)C1 1194097663 DGYWMXOOGMRWPF-CYBMUJFWSA-N 315.377 -0.238 30 20 DBED C=CCC[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)CN2CC(=O)NC2=O)C1 1196985758 OGOGPRHLDSTPST-IJLUTSLNSA-N 324.381 -0.946 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H](C)CCOC)C1 1198810105 NUNBDQGJCLFXRY-JHJVBQTASA-N 313.398 -0.878 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)CCNC(=O)CC(C)C)C1 1199475030 UGJJFZBFAHQMLE-ZIAGYGMSSA-N 309.410 -0.277 30 20 DBED COCCCNC(=O)CNC1CCN(C(=O)[C@@H](C)C#N)CC1 1199825944 DJZMPSVXQPBVII-LBPRGKRZSA-N 310.398 -0.121 30 20 DBED N#CCNC(=O)CNC[C@@H]1CN(C(=O)c2ccoc2)CCCO1 1199847611 SMLJMKSFTSBPPN-CYBMUJFWSA-N 320.349 -0.260 30 20 DBED CO[C@H](C(=O)N1CCC(NCC(=O)NCC#N)CC1)C1CC1 1200340495 ASLRQRTWSJAWFM-AWEZNQCLSA-N 308.382 -0.368 30 20 DBED C#CCNC[C@H]1CN(C(=O)[C@H]2COCCN2C(C)=O)CCCO1 1202087924 OXFWDQITPFZOBT-LSDHHAIUSA-N 323.393 -0.926 30 20 DBED Cn1cnnc1COCC(=O)N[C@H]1C[C@H](NCC#N)C12CCC2 1203555109 IMJZHAOWAVEZRO-RYUDHWBXSA-N 318.381 -0.128 30 20 DBED CC#CCNCC1CCN(C(=O)CCn2ncn(C)c2=O)CC1 1205754917 QWSMYEGYAPCCES-UHFFFAOYSA-N 319.409 -0.177 30 20 DBED COCC#CCN1C[C@@H](NC(=O)Cn2cnnc2O)[C@H](C)C1 1206882145 HGEKGTPVPXVXDO-VXGBXAGGSA-N 307.354 -0.930 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)CN1CCC[C@H]1C 1208591509 ZBWMXGRTHNVBQL-MGPQQGTHSA-N 321.425 -0.453 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)Cc2cnoc2)C1 1209213297 MVVSCSJCVUMZRL-ZDUSSCGKSA-N 304.350 -0.453 30 20 DBED C=C(C)CCN1C[C@@H](NC(=O)CS(=O)(=O)NC)[C@H](C)C1 1211083913 NHMZJBUDIQYYGE-VXGBXAGGSA-N 303.428 -0.062 30 20 DBED C=CCCN1C[C@@H](NC(=O)CS(=O)(=O)CC)[C@H](OC)C1 1213925846 SJDWQYHBXDBTIE-VXGBXAGGSA-N 304.412 -0.187 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(Cc2nc(CCC)no2)C[C@@H]1O 1219361767 DMKQYSZXIMQIHL-NEPJUHHUSA-N 324.381 -0.114 30 20 DBED Cc1occc1C(=O)NCC(=O)N[C@@H]1CN(CC#N)C[C@@H]1O 1219676895 FRZNRXTVWZDFDM-NEPJUHHUSA-N 306.322 -0.997 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(CCOCC=C)C[C@@H]1O 1219821289 JJSPSOAJESACLU-PMPSAXMXSA-N 321.421 -0.552 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)CCCN2C(=O)CNC2=O)C1 1220944682 ZBQWRQRFXKDCIR-NEPJUHHUSA-N 324.381 -0.944 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](NC(=O)CS(=O)(=O)C(C)C)C1 1220999512 FGNYHRBJLSGSPW-OLZOCXBDSA-N 318.439 -0.063 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)Cc2ccnn2C)CC1 1227059933 BAPCJCFLYLLSGH-UHFFFAOYSA-N 317.393 -0.707 30 20 DBED CCn1ncc(C(=O)NC2CCN(CC(=O)NCC#N)CC2)n1 1227174387 UVDQJBRPAXSXOB-UHFFFAOYSA-N 319.369 -0.868 30 20 DBED C#CCO[C@H](C)C(=O)NCC[C@@H]1CN(CC)CCS1(=O)=O 1230461602 AGWXMYIERQAQDB-CHWSQXEVSA-N 316.423 -0.350 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cc(OC)n[nH]1 1261824219 SYEBRCDQPBBYDQ-UHFFFAOYSA-N 316.339 -0.926 30 20 DBED N#CCn1cc(NC(=O)C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)cn1 1319359239 QAPMYXYAIJTSLB-SECBINFHSA-N 316.321 -0.775 30 20 DBED C#CCNC(=O)C1CCN(C(=O)[C@H](C)N2C(=O)CCC2=O)CC1 1321289509 ZFNKDZYBEOQGMS-NSHDSACASA-N 319.361 -0.488 30 20 DBED CCOC(=O)C1(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1 1323380463 UAELBAMYGYVXNY-VAWYXSNFSA-N 321.333 -0.028 30 20 DBED C=CCCO[C@H](C)C(=O)OCC(=O)N[C@H]1CCS(=O)(=O)C1 1324480953 YJYSFZHBZMTAKX-MNOVXSKESA-N 319.379 -0.186 30 20 DBED N#C[C@H]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C1 1325927367 ZEIQKYNJAZXHEL-REWJHTLYSA-N 320.393 -0.226 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)NC[C@@H]1CCCOC1 1328955997 BTGKCGLTKFBRQO-NSHDSACASA-N 318.395 -0.754 30 20 DBED N#CCCCNC(=O)C(=O)NC[C@@H]1CCCCS1(=O)=O 1329818842 WKWKQHWCUAQZHQ-JTQLQIEISA-N 301.368 -0.510 30 20 DBED C=CCn1cc(CNC(=O)C(=O)NC[C@@H](C)N(C)C2CC2)nn1 1332041693 BFOPNDJCZFQCIU-LLVKDONJSA-N 320.397 -0.321 30 20 DBED COCCCN(C)CCNC(=O)C(=O)Nc1cnn(CC#N)c1 1334475749 NTTWLFLUHBFKAQ-UHFFFAOYSA-N 322.369 -0.570 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)NCC(=O)NCC1CC1 1336595035 VIDAAYOWLSHSCQ-LBPRGKRZSA-N 309.366 -0.827 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@H]([C@H](C)O)C2)C1=O 1337483380 QPBWZAPMMLBHPW-VHSXEESVSA-N 309.322 -0.808 30 20 DBED C#CCOCCn1nnnc1N1CC[C@H](CS(C)(=O)=O)C1 1352526405 GGTWFYOTJBUTHC-NSHDSACASA-N 313.383 -0.806 30 20 DBED CC1(CCNC(=O)CCn2cc(C#N)c(O)nc2=O)OCCO1 1362531412 HUWYBVWWWKJRHB-UHFFFAOYSA-N 322.321 -0.520 30 20 DBED COC(=O)[C@@H]1CN(C)CCN(C(=O)C2(C#N)CCOCC2)C1 1362792527 XQBXKFZOHGVJRW-GFCCVEGCSA-N 309.366 -0.130 30 20 DBED N#Cc1cccc([C@H](O)CN2CCN(CC(N)=O)C(=O)C2)c1 1365310696 SURONMKPNCIIPP-CYBMUJFWSA-N 302.334 -0.779 30 20 DBED CN(CCNC(=O)[C@@H]1CCCN1C(N)=O)c1ccc(C#N)nn1 1365771372 KZEYNFSOZHMQMG-NSHDSACASA-N 317.353 -0.556 30 20 DBED N#Cc1ccc(C(=O)NC[C@@H](O)CNC(=O)C2=COCCC2)[nH]1 1376548073 JCMZBJDXKICWOF-LBPRGKRZSA-N 318.333 -0.212 30 20 DBED COCCC(=O)N1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@H](OC)C1 1384791155 NUVQACJKCGLSQT-CHWSQXEVSA-N 320.349 -0.122 30 20 DBED CN(CCN1CCCCC1)C(=O)Cn1cc(C#N)c(O)nc1=O 1413222128 BVSFWLDGXAAHAZ-UHFFFAOYSA-N 319.365 -0.235 30 20 DBED CN(C)C(=O)CCCC(=O)NCCn1cc(C#N)c(O)nc1=O 1418529611 RABSMJBPMHJGFF-UHFFFAOYSA-N 321.337 -0.805 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CCN(C(=O)COCc2nncn2C)C1 1427802205 JCICTFDOFZVVEF-QWRGUYRKSA-N 320.353 -0.792 30 20 DBED Cc1cnc2nc(C(=O)N3CC(NC(=O)[C@H](C)C#N)C3)nn2c1 1430288836 GJYGWWRSMFNGLL-SECBINFHSA-N 313.321 -0.467 30 20 DBED C[C@H](C#N)C(=O)NCCN1CCN(CC(=O)N(C)C2CC2)CC1 1436697579 DANIILYOXFQRND-CYBMUJFWSA-N 321.425 -0.499 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H](O)CNCC(=O)NCC2CC2)c1 1445150105 GGFSRNURIOHJMS-GFCCVEGCSA-N 319.365 -0.907 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@@H](CNC(=O)[C@H]2CCC(=O)NC2)C1 1445921303 PJRMZFHYRIXDPE-FIQHERPVSA-N 306.366 -0.317 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H](C)CNC(=O)c1ccc(C(N)=O)cn1 1449986882 VGNYGHCMQFWQKW-VHSXEESVSA-N 317.349 -0.083 30 20 DBED COCc1cc(C(=O)NC[C@H](O)CNC(=O)[C@@H](C)C#N)no1 1452363142 WSMDTWOXNRWUMB-DTWKUNHWSA-N 310.310 -0.812 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)N[C@@H]2COCC[C@H]2O)cc1 1455011182 PXAQWJPQEITVPF-CHWSQXEVSA-N 303.318 -0.446 30 20 DBED CC(=O)NCC(=O)NCCN(C(=O)c1c[nH]c(C#N)c1)C1CC1 1455851123 OBYFOZPEMCDWDM-UHFFFAOYSA-N 317.349 -0.257 30 20 DBED C=C(Br)CNC(=O)Cn1cc(C#N)c(O)nc1=O 1464589627 WOTPZKWCVMFKFT-UHFFFAOYSA-N 313.111 -0.155 30 20 DBED CN(C)C(=O)Cn1cnc(NC(=O)N2CCO[C@@H](C#N)C2)n1 1476153738 DIGDDUDRBYCBGB-VIFPVBQESA-N 307.314 -0.877 30 20 DBED CCO[C@H](C)C(=O)NC1CN(CC(=O)N(CC)CCC#N)C1 1481545834 HFRQEUKLRCIQOV-GFCCVEGCSA-N 310.398 -0.026 30 20 DBED CC[C@@H](CNC(=O)C(C)(C)S(C)(=O)=O)NC(=O)[C@H](C)C#N 1531508204 RWYXHVUISPEFHL-ZJUUUORDSA-N 317.411 -0.020 30 20 DBED C[C@H](CS(C)(=O)=O)C(=O)NCC1(NC(=O)[C@H](C)C#N)CC1 1535534585 DIJWTEUMSOLCAO-NXEZZACHSA-N 315.395 -0.408 30 20 DBED COC[C@@]1(C(=O)O)CCN(C(=O)[C@@H](C)n2cnc(C#N)n2)C1 1574130784 ROZVPVKVNALILS-NOZJJQNGSA-N 307.310 -0.340 30 20 DBED CN1C[C@@H](N(C)c2cnc(-c3nn[nH]n3)c(C#N)n2)CCC1=O 1579320907 XVAKJTMEQCLBAW-QMMMGPOBSA-N 313.325 -0.415 30 20 DBED C#C[C@H](CO)NC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)O)C1 1588388755 ZMSADMKEUPJNHN-ZWNOBZJWSA-N 301.302 -0.184 30 20 DBED C#CCN(CC(=O)O)C(=O)C(=O)Nc1ccn(CCC#N)n1 1588397781 UGPDJRFLADRMKT-UHFFFAOYSA-N 303.278 -0.718 30 20 DBED C#CCN(CC(=O)O)c1nnc([C@H]2C[C@H](O)CN2C)n1CC 1588426750 AZAOQYJCWUBXLR-WDEREUQCSA-N 307.354 -0.440 30 20 DBED C=CCCOCCNC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O 1588813643 YTYXFVQLQCHWBZ-UWVGGRQHSA-N 301.343 -0.144 30 20 DBED C=CCN(CC(=O)OCC)S(=O)(=O)c1n[nH]cc1C(=O)O 1588823962 HLDWWMKHZPYZNX-UHFFFAOYSA-N 317.323 -0.152 30 20 DBED C=CCOC[C@@H](NS(=O)(=O)c1cccnc1C#N)C(=O)O 1588866696 PGQPUGHWXBACPV-SNVBAGLBSA-N 311.319 -0.113 30 20 DBED N#Cc1cccc([C@H](O)CN2CCS(=O)(=O)C[C@H]2C(=O)O)c1 1594626413 ZIBRJKNXXCYQGP-QWHCGFSZSA-N 324.358 -0.225 30 20 DBED N#Cc1cn(CCC(=O)N[C@H]2C[C@@H](C(=O)O)C2)c(=O)nc1O 1594632742 ATYQHOUNAUFZHV-OTSSQURYSA-N 306.278 -0.810 30 20 DBED COCCCn1nc(C(=O)N(CC#N)CC(=O)O)ccc1=O 1599230411 ZQVVTPBOMXFJGF-UHFFFAOYSA-N 308.294 -0.670 30 20 DBED N#Cc1ccc(C(=O)N2CC(NC(=O)[C@@H]3C[C@H]3C(=O)O)C2)[nH]1 1601092382 MIECXJKPVGUYRH-NXEZZACHSA-N 302.290 -0.452 30 20 DBED C#CC1(O)CN(CCC(=O)Nc2ccccc2-c2nn[nH]n2)C1 1602690347 CEIROWGVMFXXEN-UHFFFAOYSA-N 312.333 -0.125 30 20 DBED N#Cc1ccc([C@H](O)C(=O)N2C[C@@H](C(=O)O)C[C@@H](O)C2)cc1 1608201705 GMSFDPFSKVVVDY-XQQFMLRXSA-N 304.302 -0.114 30 20 DBED N#Cc1cn(CC(=O)Nc2cnc3ccnn3c2)c(=O)nc1O 1637326773 NDHLDDUETZWILB-UHFFFAOYSA-N 311.261 -0.498 30 20 DBED Cn1c(C#N)ccc1-c1nnc(N2CCO[C@H](C(N)=O)C2)n1C 1649244478 HFIBRKRFZGFFTK-NSHDSACASA-N 315.337 -0.617 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@@H](NC(=O)c2cc(CC)n(C)n2)C1 1752776206 LPYLRIVLEPLZNF-TXEJJXNPSA-N 317.393 -0.418 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H](C)CCNC(=O)CN(C)C(C)=O 1753003510 STEVJIDVDFSGDS-VXGBXAGGSA-N 310.398 -0.913 30 20 DBED C=CCN(CC)CCNC(=O)Cn1[nH]cc2c(=O)ncnc1-2 1753092289 WENKWXVHXSFWSS-UHFFFAOYSA-N 304.354 -0.305 30 20 DBED C#CCNC(=O)CNC1(CNC(=O)c2ncccn2)CCCC1 1753669729 CQPIGGYLQZRFBK-UHFFFAOYSA-N 315.377 -0.142 30 20 DBED Cn1cc(CCNC[C@@H](O)CNC(=O)c2c[nH]c(C#N)c2)cn1 1753908871 OPEWNSPJZDOSIU-CQSZACIVSA-N 316.365 -0.457 30 20 DBED C=CCNC(=O)CN(C)C[C@@H](C)NC(=O)[C@H]1CCCC(=O)N1 1754316287 NJLOEOMWGUFNPG-VXGBXAGGSA-N 310.398 -0.606 30 20 DBED C#CCNC(=O)CNC1(CNC(=O)c2ccncc2F)CC1 1754511830 OCMVVNBDWKAOEZ-UHFFFAOYSA-N 304.325 -0.178 30 20 DBED C#CCNC(=O)[C@@H](C)NC1(CNC(=O)[C@@H](C)OCC#C)CC1 1754515171 MNFYSBCZRFFFAG-CHWSQXEVSA-N 305.378 -0.599 30 20 DBED C=CCCCCCN1CC[C@](O)(CNC(=O)[C@@H]2CNC(=O)N2)C1 1754754355 KVTNKEDCQROABO-BBRMVZONSA-N 324.425 -0.033 30 20 DBED CCOc1cc(C(=O)N[C@H](C)[C@H](C)NCC(=O)NCC#N)on1 1755244610 RXROONTUFDDEHN-VHSXEESVSA-N 323.353 -0.191 30 20 DBED CN(C)S(=O)(=O)CCC(=O)NCC1[C@H]2CN(CC#N)C[C@H]12 1755436764 XHYJHPKTJIEMHB-VXGBXAGGSA-N 314.411 -0.915 30 20 DBED C=CCN1CC[C@@H](N[C@@H](CO)CNC(=O)c2ccco2)C1=O 1755621764 VSKNLYOPLZSULL-VXGBXAGGSA-N 307.350 -0.253 30 20 DBED COCC#CCN[C@H](CO)CNC(=O)c1cc(C)nnc1C 1755628684 BQUNANJQWZCIKX-ZDUSSCGKSA-N 306.366 -0.576 30 20 DBED C=CCn1cc(C(=O)NC[C@H](CO)NCc2cc(C)no2)nn1 1755640031 CFISOKVOPRFDLV-LLVKDONJSA-N 320.353 -0.359 30 20 DBED COCC#CCN[C@@H](CO)CNC(=O)[C@H]1Cc2cccnc2C1 1755645222 NVIYVGSCPHWQAP-LSDHHAIUSA-N 317.389 -0.487 30 20 DBED C#CCCN[C@@H]1C[C@H](C)N(C(=O)CCCN2C(=O)CNC2=O)C1 1755687913 DYDNSBLDCGXHDE-QWHCGFSZSA-N 320.393 -0.079 30 20 DBED CC(=O)N[C@H](C(=O)N(C)C[C@H](O)CN(C)CC#N)C(C)(C)C 1755808058 NTDZFXJVUUKYAI-CHWSQXEVSA-N 312.414 -0.188 30 20 DBED CC(C)(C)[C@@H](CNCC(=O)NCC#N)NC(=O)Cc1nc[nH]n1 1755836544 WIBSARBIYNNBPB-SNVBAGLBSA-N 321.385 -0.893 30 20 DBED CC(C)C#CC(=O)NC[C@@H](C)N(C)C(=O)C[C@@H]1CC(=O)NC1=O 1756023918 FAYZCMKWSMGVGG-NEPJUHHUSA-N 321.377 -0.338 30 20 DBED Cc1nn[nH]c1C(=O)N(C)C[C@@H](C)NC(=O)CSCC#N 1756479652 NKOGHCZGEQQVQN-MRVPVSSYSA-N 310.383 -0.053 30 20 DBED C=CCCOCC(=O)N[C@@H]1C[C@H](C)N(C(=O)Cn2ncnn2)C1 1756589774 ILVHKRLAFNLRCR-NWDGAFQWSA-N 322.369 -0.629 30 20 DBED CO[C@@H]1CN(C(=O)c2cc[n+]([O-])cc2)C[C@H]1NC(=O)[C@@H](C)C#N 1757145931 GDMVBFLBSNXZEL-CYZMBNFOSA-N 318.333 -0.565 30 20 DBED CC#CCCCC(=O)N(CCO)[C@H]1CCCN(C(=O)C(N)=O)C1 1757465652 OLYROXXDJVPZCU-ZDUSSCGKSA-N 323.393 -0.523 30 20 DBED C=CCCC(=O)N[C@@H]1CCN(C(=O)c2cn(C)nn2)C[C@H]1O 1757562472 OEXDWVIQNHKXRJ-ZYHUDNBSSA-N 307.354 -0.527 30 20 DBED C=CC[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)C(O)O)CCO2)C1 1783109550 SKAOBWUTKPBUAJ-IAQYHMDHSA-N 312.366 -0.661 30 20 DBED N#CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cn[nH]c1 1796570890 RNOZCWLHYSIYEG-PTEHBNRSSA-N 303.322 -0.473 30 20 DBED C[C@H](S)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)COCCO 1800153116 LYBCREFOUHIBMH-YFKTTZPYSA-N 316.423 -0.048 30 20 DBED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCC#N)CCO2 1835362597 OYSCUZBBBUXMAC-OAHLLOKOSA-N 305.334 -0.620 30 20 DBED N#Cc1cc(NC(=O)C(=O)N2CC[C@@H](C(N)=O)C2)ccc1F 77540257 GNDVHHDZKUDQDP-MRVPVSSYSA-N 304.281 -0.030 30 20 DBED C[C@H](NS(=O)(=O)N(C)CCC#N)[C@H](C)N1CCOCC1 104758098 GHBODZHBBCFMIF-RYUDHWBXSA-N 304.416 -0.225 30 20 DBED CCNC(=O)CN1CCN(C(=O)C2(C#N)CCOCC2)CC1 109139422 MLPTVHPIMAWHRQ-UHFFFAOYSA-N 308.382 -0.413 30 20 DBED C=CC1CCN(S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC1 111348989 WQDAMJNAVWYOPE-UHFFFAOYSA-N 313.379 -0.329 30 20 DBED C#CCNC(=O)COC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O 136151700 QJRAZGMVXAFUAP-QWRGUYRKSA-N 306.318 -0.546 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(C[C@@H](O)CSC)c1=O 187816144 DJEUEFLGBUKIHZ-SNVBAGLBSA-N 313.379 -0.732 30 20 DBED COc1ccccc1/C(N)=N/OCc1cc(=O)n(C)c(=O)n1C 198912402 RFJPEIYAMFBEOJ-UHFFFAOYSA-N 318.333 -0.070 30 20 DBED C/N=C(/NCCN1CCCS1(=O)=O)N(C)C[C@@H]1CCOC1 261671651 PGUIQWPSIGOHGN-LBPRGKRZSA-N 318.443 -0.434 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)C2=COCCO2)CC1 265001426 LHDPQGCYOCVOES-UHFFFAOYSA-N 307.350 -0.842 30 20 DBED C#Cc1cccc(NC(=O)C(=O)N2C[C@@H](C(N)=O)O[C@H](C)C2)c1 268466707 NLZMMLIJGIPMEK-MFKMUULPSA-N 315.329 -0.292 30 20 DBED N#Cc1cc(Cl)ccc1S(=O)(=O)NCCOCC(N)=O 269821590 YKDVELDRUDUISK-UHFFFAOYSA-N 317.754 -0.008 30 20 DBED N#C[C@@H]1CSCCN1C(=O)Cn1nc2ccccn2c1=O 271690081 DXNPUVFJXRFLKO-SNVBAGLBSA-N 303.347 -0.036 30 20 DBED C=CCN1CC[C@@H](N2CCN(CC(=O)NC(C)C)CC2)C1=O 282033352 QFKYTFCPHACJML-CQSZACIVSA-N 308.426 -0.085 30 20 DBED COC(=O)[C@]1(C)CN(c2c(C#N)c(=O)n(C)c(=O)n2C)C[C@H]1C 283642300 WJUYRUALTUOWRB-RFAUZJTJSA-N 320.349 -0.409 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCCC(C)(C)O)C1=O 288037118 OBJLSCLQFNADPY-NSHDSACASA-N 311.382 -0.491 30 20 DBED Cc1noc([C@@H]2CN(/C(O)=N/[C@H]3CCN(C)C3=O)CCN2C)n1 329001785 HRXIYEUIKQFDEL-QWRGUYRKSA-N 322.369 -0.189 30 20 DBED CCN1CCN(/C(O)=N/C[C@H]2CCCS(=O)(=O)C2)CC1=O 329479790 PBUBZHBVTRKKQE-LLVKDONJSA-N 317.411 -0.111 30 20 DBED Cn1nc2c(cc1=O)CN(/C(O)=N/CCN1CCOCC1)CC2 329769350 HRPNDWDYLWYRAS-UHFFFAOYSA-N 321.381 -0.615 30 20 DBED C=CCN(C(=O)[C@H](C)NS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 330476029 UMUJMBKKFRNNGM-UWVGGRQHSA-N 324.424 -0.874 30 20 DBED COC(=O)[C@](C)(O)CNC(=O)[C@@H]1CCCN1/C(O)=N/C(C)C 330882101 ALRZFUIIHJAZLC-IINYFYTJSA-N 315.370 -0.187 30 20 DBED COC(=O)C(C)(C)CN/C(O)=N/C[C@H]1CN(C)CCN1C 330924276 FHYMQZPVUJJWAQ-NSHDSACASA-N 300.403 -0.065 30 20 DBED CCS(=O)(=O)C[C@H](C)/N=C(/O)N[C@@H]1C(=O)NCC[C@@H]1C 331268644 KVUAOFOKYJLQQQ-GUBZILKMSA-N 305.400 -0.162 30 20 DBED CNS(=O)(=O)C[C@H]1CCCN1S(=O)(=O)CC1(C#N)CC1 331574782 ZDAAPTSAFBQBDF-SNVBAGLBSA-N 321.424 -0.366 30 20 DBED C[C@@H](CNS(=O)(=O)N1CCO[C@H](C#N)C1)CN1CCCC1 336929014 XXPNCCSEGIVQOE-QWHCGFSZSA-N 316.427 -0.223 30 20 DBED CCOC1CC(O)(CNS(=O)(=O)N(CC)CCC#N)C1 337187085 PJURMTFHBQMJFX-UHFFFAOYSA-N 305.400 -0.014 30 20 DBED CCC[C@H](C#N)N(C)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O 340371208 HBUJRVOQZTYPDA-SECBINFHSA-N 314.367 -0.603 30 20 DBED CC[C@@H](CO)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N 343705253 BTFNQHXUFQZUSL-JTQLQIEISA-N 307.354 0.335 30 20 DBED C=CCNC(=O)CNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O 346267672 TXAAGZSKVDYMGK-UHFFFAOYSA-N 314.323 -0.044 30 20 DBED COC(=O)CCN1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1=O 346735863 SXHQHFPJFLPSOL-LLVKDONJSA-N 304.306 -0.220 30 20 DBED C=CCOC[C@@H]1NC(=O)N(CCC(=O)N2CCOCC2)C1=O 348604636 IYETYHOLAMIQAV-NSHDSACASA-N 311.338 -0.642 30 20 DBED CN1C(=O)C(=O)N(CC(=O)NCc2ccc(C#N)cc2)C1=O 353363224 AMRJDUHRLIVIHM-UHFFFAOYSA-N 300.274 -0.405 30 20 DBED CCOC(=O)c1c[nH]nc1S(=O)(=O)N1CC(O)(CC#N)C1 358909621 VPOAHJGKQZWRCK-UHFFFAOYSA-N 314.323 -0.765 30 20 DBED C[C@H](O)CCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N 359251065 MEJZINHLFVKMJE-VIFPVBQESA-N 307.354 0.335 30 20 DBED C=CCNC(=O)c1cccc(S(=O)(=O)NCCC(N)=O)c1 360582642 LYTPQQYFQAKYMD-UHFFFAOYSA-N 311.363 -0.244 30 20 DBED N#Cc1ccncc1C(=O)N(CCO)CCN1CCOCC1 362900553 KTOBLZZQCGWQMG-UHFFFAOYSA-N 304.350 -0.280 30 20 DBED COCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@H](C)CN 419994172 GDQBTINEGDLAOA-GFCCVEGCSA-N 318.377 -0.003 30 20 DBED CN(C)C(=O)Cn1cnc(NC(=O)N[C@@H]2CC[C@H](C#N)C2)n1 425649015 HFINCDYEFLWBBV-VHSXEESVSA-N 305.342 0.180 30 20 DBED Cc1ccc(S(N)(=O)=O)c(C(=O)N2CC(O)(CC#N)C2)c1 430451435 SMAUWDWPLHAFLZ-UHFFFAOYSA-N 309.347 -0.257 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CCC=CO2)CC1 490925319 VGSOCAQYBDSVHG-CQSZACIVSA-N 305.378 -0.037 30 20 DBED C#CCN(CC#N)CC(=O)Nc1ccc(S(N)(=O)=O)cc1 491676061 NNVICNTYIBOIHA-UHFFFAOYSA-N 306.347 -0.269 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CC[C@@H]2NC(=O)OC[C@H]2C1 495780293 PCNROYXDIAENSM-MNOVXSKESA-N 316.383 -0.103 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 511411197 DKAQOWGDJQKYCT-GARJFASQSA-N 321.424 -0.416 30 20 DBED CN1CC[C@@]2(CCN(S(=O)(=O)N3CCO[C@@H](C#N)C3)C2)C1 566597021 QFHQCFBEJGQJNA-QWHCGFSZSA-N 314.411 -0.517 30 20 DBED Cc1nn(C)c(N2CCN([C@@H]3CC(=O)NC3=O)CC2)c1C#N 567363661 OFQOMOOOYCHADC-LLVKDONJSA-N 302.338 -0.863 30 20 DBED N#Cc1ccc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)o1 569140785 NTPZHIZQVJHJBB-WPRPVWTQSA-N 310.335 -0.916 30 20 DBED CO[C@@H]1COC[C@H]1NC(=O)CNC(=O)c1ccc(C#N)cc1 576638422 CKQSZWJXMXURKC-CHWSQXEVSA-N 303.318 -0.182 30 20 DBED N#Cc1nc(N2CCN3C(=O)C(=O)NC[C@H]3C2)sc1Cl 590586693 QQBKURDEBGDHKW-LURJTMIESA-N 311.754 -0.185 30 20 DBED Cn1c(NCC2(C(=O)O)CCOCC2)c(C#N)c(=O)n(C)c1=O 592419206 KOCUKEHBQSDBJJ-UHFFFAOYSA-N 322.321 -0.751 30 20 DBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H]1CCNC1=O 597373276 CINCCJUBXPLKPW-QWRGUYRKSA-N 314.349 -0.479 30 20 DBED CCN(CCC#N)C(=O)CN1CCC(NC(=O)COC)CC1 603882430 MGPBJJMFXNMNQC-UHFFFAOYSA-N 310.398 -0.024 30 20 DBED C#C[C@H](CO)NS(=O)(=O)c1ccc(F)c(C(=O)O)c1F 718157705 ZWBGDYMIBURQOI-ZCFIWIBFSA-N 305.258 -0.065 30 20 DBED C#CCOc1ccc(NC(=O)C(=O)NCCNC(C)=O)cc1 731122970 XBNVIPBAJHMWHV-UHFFFAOYSA-N 303.318 -0.111 30 20 DBED N#CCNC(=O)COC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 731240781 RNQAMQLWJUUTMQ-ZETCQYMHSA-N 307.228 -0.420 30 20 DBED N#CCN(CC(=O)O)C(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O 739077140 IUQUREATPLRQMM-UWVGGRQHSA-N 307.306 -0.402 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCN(C(C)(C)C(N)=O)CC1 747921264 PSOUECPHPUPOLZ-ZDUSSCGKSA-N 306.410 -0.508 30 20 DBED CO[C@@H]1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 752042152 JDVKNMAXILVKOQ-SNVBAGLBSA-N 323.374 -0.028 30 20 DBED CNC(=O)[C@H](C#N)C(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 766615897 GHWVBPYLGFBWJJ-ZYHUDNBSSA-N 300.318 -0.115 30 20 DBED CCOC(=O)CON=C(C(=O)NCc1cnc[nH]1)c1cc[nH]n1 772281333 NZBKJARBJGUGQN-UHFFFAOYSA-N 320.309 -0.267 30 20 DBED N#CC1(NC(=O)COC(=O)c2ccc3nnnn3c2)CCC1 786047615 CAFSZOXCSNFKMZ-UHFFFAOYSA-N 300.278 -0.156 30 20 DBED N#CCNC(=O)CNC(=O)[C@H]1CCCN1C(=O)C(F)(F)F 804820954 UGCVPVINQHKLKJ-SSDOTTSWSA-N 306.244 -0.704 30 20 DBED N#Cc1cncc(S(=O)(=O)NC(=O)c2coc(C(N)=O)c2)c1 813982586 NRUYPWZOWXERRT-UHFFFAOYSA-N 320.286 -0.236 30 20 DBED CC(=O)NCCN(C(=O)c1cc(C#N)cn1C)[C@@H](C)C(=O)O 819752720 BKULVBZCAQWXMI-VIFPVBQESA-N 306.322 -0.052 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N[C@H](C)Cn1cccn1 826974030 ZMKNJZOIBNQUQV-CYBMUJFWSA-N 306.366 -0.114 30 20 DBED CCS(=O)(=O)N[C@@H](C)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 827384402 RSFGYRDPBRNLKZ-JQWIXIFHSA-N 314.411 -0.487 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CCCOC2)CC1 831560914 KWVPRTJIKUNCKG-LBPRGKRZSA-N 315.395 -0.975 30 20 DBED C#CC[C@H](NC(=O)[C@H]1CCCCN1S(C)(=O)=O)C(=O)OC 837932569 ATIBAYOLGPYFKR-WDEREUQCSA-N 316.379 -0.518 30 20 DBED C#CCNC(=S)NCC1(N2CCOCC2)CCN(C)CC1 840853072 PPTAALLPACUCDV-UHFFFAOYSA-N 310.467 -0.120 30 20 DBED C=C[C@H](C)ONC(=O)N1CCC(NS(=O)(=O)NC)CC1 845621463 XMFSAKUKHJKHLN-VIFPVBQESA-N 306.388 -0.280 30 20 DBED N#CC1(CS(=O)(=O)NC(=O)c2ccn3nnnc3c2)CC1 850939793 AYJQVMRVDSWQJN-UHFFFAOYSA-N 306.307 -0.512 30 20 DBED C#CCCN1CCN(CC(=O)N=[S@](C)(=O)N(C)C)CC1 878313476 HOHATFCXWYPIDI-FQEVSTJZSA-N 300.428 -0.272 30 20 DBED Cn1ccc(N2CCC[C@H](NC(=O)NCC#CCO)C2=O)n1 923778792 DHJLXBINSIKBOA-NSHDSACASA-N 305.338 -0.790 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCCCN1C(=O)C(N)=O 937466347 YJQHNDZZUDADKG-STQMWFEESA-N 320.393 -0.933 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](N(C)C(=O)c2cnn(C)c2N)C1 939394990 BJYVPOPABXQUOO-UWVGGRQHSA-N 304.354 -0.165 30 20 DBED Cc1nn[nH]c1C(=O)N[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 941973502 BBSIZHYKKJLCFB-SNVBAGLBSA-N 313.321 -0.043 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)COC 943819590 BYMYLNSGZATYLU-KGLIPLIRSA-N 307.394 -0.162 30 20 DBED CO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)c1[nH]nnc1C 944345560 FTWQPNMZBBDDJM-VXGBXAGGSA-N 317.349 -0.518 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)CC)CCO1 944648268 SUBSUVHQPBMBFQ-KGLIPLIRSA-N 307.394 -0.162 30 20 DBED C=CCCN1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)C[C@H]1C 948070177 NDSQAFJPWKJPHQ-NEPJUHHUSA-N 320.397 -0.078 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]1CNC(=O)c1cn(C)c(=O)n1C 950633541 MINUVMNROSADQP-VHSXEESVSA-N 305.338 -0.786 30 20 DBED CC#CCN1CC(N(CC)C(=O)[C@@H]2CN(C(C)=O)CCO2)C1 957343647 VKXGHVGBYXSTLL-HNNXBMFYSA-N 307.394 -0.210 30 20 DBED CN(C)c1ccc(C(=O)NC[C@@H]2CN(CC#N)C[C@H]2O)cn1 958202273 CIVHOSHRJBHOTF-CHWSQXEVSA-N 303.366 -0.306 30 20 DBED C#CCCN1C[C@@H](O)[C@H](CNC(=O)c2c(OC)ccnc2O)C1 958595679 UFJIXKNMRHJYTP-VXGBXAGGSA-N 319.361 -0.158 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cc2cncs2)C1 958870793 QXSDQJWUCJZITH-DLOVCJGASA-N 322.390 -0.125 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1[C@H]2COC[C@H]21 960790676 QHNKAMCRQVQLPA-BSCCGWMCSA-N 319.361 -0.523 30 20 DBED C=CCn1cc(C(=O)N2C[C@H](O)[C@H](NC(=O)C(C)C)C2)nn1 961616139 JQYSXEALRQWLPL-PWSUYJOCSA-N 307.354 -0.578 30 20 DBED CN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)C1CCC(NCC#N)CC1 963908902 YUEGMDWNELXFMX-IFWUJCSASA-N 308.382 -0.098 30 20 DBED Cc1nc[nH]c1C(=O)NC[C@H]1COCCN1C(=O)[C@@H](C)C#N 964255189 UZGIELYKMKDHIS-ONGXEEELSA-N 305.338 -0.165 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CN(C(=O)c3cncn3C)CCO2)C1 965420292 KSHHCRVTDYGJMJ-LLVKDONJSA-N 317.349 -0.367 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC2(CN(C(=O)Cc3cnc[nH]3)C2)C1 965465833 LRTLPWCZJAWODE-NSHDSACASA-N 317.349 -0.448 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(C[C@@H](NC(=O)c3cnsn3)CO2)C1 965637894 KQDDFIRIDDENDX-DTWKUNHWSA-N 321.362 -0.203 30 20 DBED C=C1CC(C)(C(=O)N[C@H]2CN(C(=O)Cn3ncnn3)C[C@@H]2C)C1 966460515 CNJVZEGZDUHPRV-RYUDHWBXSA-N 318.381 -0.008 30 20 DBED CC#CCN1CC([C@@H](C)NC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 970193320 QHSGGYLNJFLDMN-RISCZKNCSA-N 315.377 -0.175 30 20 DBED C#CCN1C[C@H]2CC[C@H]1CN2C(=O)CN1CCN(C)C(=O)C1 971542153 KHKDRKMVLXKTSX-UONOGXRCSA-N 304.394 -0.931 30 20 DBED CN1C(=O)CCC[C@@H]1C(=O)N1CC[C@@]2(CN(CC#N)CCO2)C1 972659931 QKYQIVWRJVEHIX-CZUORRHYSA-N 320.393 -0.176 30 20 DBED C=CCn1cc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3CCOC3)C2)nn1 973934600 BFHANJWYVJADDB-SDDRHHMPSA-N 319.365 -0.122 30 20 DBED N#CCN1C[C@@H]2C(CNC(=O)[C@@H]3CCCCS3(=O)=O)[C@H]2C1 978254548 WYFRQHCNFRPJRR-UPJWGTAASA-N 311.407 -0.229 30 20 DBED C=CCN1C[C@H]2C[C@@H](NC(=O)CN3CC(=O)NC3=O)CC[C@H]2C1 980192353 GOVPYHWOCBFSBD-XQQFMLRXSA-N 320.393 -0.059 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H]2CC[C@@H](NC(=O)C(N)=O)C2)c1 981111725 XSKQCWDRXBGIDU-WCBMZHEXSA-N 303.322 -0.614 30 20 DBED CN(CC#N)C1CCN(C(=O)CCc2nnc(O)nc2O)CC1 985515022 MZESWIIKZSGIFZ-UHFFFAOYSA-N 320.353 -0.338 30 20 DBED C#Cc1cncc(C(=O)N[C@H]2CCN(C(=O)CC(N)=O)[C@@H]2C)c1 989805560 RIQHEQBEJOBUBB-MFKMUULPSA-N 314.345 -0.343 30 20 DBED CSCC(=O)N1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H](O)C1 991399887 HJZRJJOKYFNKBM-PWSUYJOCSA-N 322.390 -0.059 30 20 DBED O=C(N[C@@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1O)c1cnon1 991701083 IXVMOIOUSVBBJE-PWSUYJOCSA-N 304.306 -0.825 30 20 DBED N#CCN[C@@H]1CCC[C@@H]2CN(C(=O)c3nnc(O)nc3O)C[C@@H]21 992748648 YKCVIRCLCCLOCU-KXUCPTDWSA-N 318.337 -0.363 30 20 DBED CC(=O)N[C@H]1CC(=O)N(C2CN(C(=O)c3ccc(C#N)[nH]3)C2)C1 995454921 KABKSVNYVQGNRF-NSHDSACASA-N 315.333 -0.552 30 20 DBED O=C(C[C@H]1CCCC(=O)N1)NC1CN(C(=O)C#CC2CC2)C1 996796156 IXKNOOISVQGKKK-GFCCVEGCSA-N 303.362 -0.214 30 20 DBED C=CCN1CC[C@H](n2cc(CNC(=O)c3nnn(C)n3)nn2)C1 1000012502 GAKPDUPLPDTZBF-NSHDSACASA-N 317.357 -0.836 30 20 DBED C[C@@H](C#N)C(=O)N1CC(CNC(=O)[C@@H]2CCCS2(=O)=O)C1 1002280974 UEESIDMERPLWPQ-ONGXEEELSA-N 313.379 -0.702 30 20 DBED CC#CCN1CCC[C@@H](NC(=O)c2cnc(O)n(C)c2=O)C1 1008157269 KMDBAQSYRXFUAF-LLVKDONJSA-N 304.350 -0.297 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(C(=O)C(C)(C)C(N)=O)CC1 1011267249 UDVXGROOPBWLOT-NEPJUHHUSA-N 323.393 -0.240 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C(=O)[C@H]2CCCCN2C(N)=O)CC1 1012330561 HXXHBTCUDQBCIZ-NWDGAFQWSA-N 321.381 -0.250 30 20 DBED C=CCN1CC[C@H](N[C@H]2CCN(C(=O)c3ncn(C)n3)C2)C1=O 1018811266 QZWPWDQWGJHSDK-RYUDHWBXSA-N 318.381 -0.594 30 20 DBED N#CCN1CCCC[C@@H]1CNC(=O)c1nccnc1C(N)=O 1024790347 GIGRENYTXFSOLG-SNVBAGLBSA-N 302.338 -0.317 30 20 DBED Cn1cc(C(=O)NC[C@H]2CCCCN2CC#N)c(O)nc1=O 1024795729 QUAVSQMPCNJTKN-SNVBAGLBSA-N 305.338 -0.406 30 20 DBED C[C@H]1CCCN1CC(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1025683282 JWOCLTNZGXZMCR-NWANDNLSSA-N 319.405 -0.428 30 20 DBED Cc1ccn(CC(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2O)n1 1025701859 MTDMEAWLTYSWAV-ZIAGYGMSSA-N 316.361 -0.707 30 20 DBED C#Cc1ccc(C(=O)NCC2CN([C@H](C)C(=O)NC)C2)nc1 1032136739 GILWCWZBXJVXDZ-LLVKDONJSA-N 300.362 -0.141 30 20 DBED C=C(C)CN1CCO[C@@H](CNC(=O)[C@@H]2CCCN2C(N)=O)C1 1035623900 JTKRECKNDIGALS-STQMWFEESA-N 310.398 -0.077 30 20 DBED C[C@H]1CN(C(=O)C#CC2CC2)CC[C@H]1NCc1nnn(C)n1 1036024405 XFJRISJGDCDYCR-WCQYABFASA-N 302.382 -0.050 30 20 DBED Cn1cc(C(=O)N2CC[C@@H]3[C@H](CCN3CC#N)C2)c(O)nc1=O 1036893250 OCKXQOFFUGYLJY-ZYHUDNBSSA-N 317.349 -0.454 30 20 DBED O=C1NC[C@H](C(=O)NC[C@@H]2CCN2CC#Cc2ccccc2)N1 1038654058 GKCJFKIPAAKKPN-LSDHHAIUSA-N 312.373 -0.090 30 20 DBED CC(=O)N(C)CC(=O)N1CC[C@](O)(CNC(=O)C#CC(C)C)C1 1039663179 AYVDEDLTTYIGDN-INIZCTEOSA-N 323.393 -0.796 30 20 DBED Cc1c[nH]nc1C(=O)NC[C@@]1(O)CCN(C(=O)[C@@H](C)C#N)C1 1039668957 DOJYPDGBJCLAJH-XPTSAGLGSA-N 305.338 -0.429 30 20 DBED C[C@H]1[C@@H](Nc2nccnc2C#N)CCN1C(=O)[C@@H]1CNC(=O)N1 1040234963 XYTBJLIWUDYWTJ-QXEWZRGKSA-N 315.337 -0.569 30 20 DBED C#CCN1CCC[C@]2(CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)C1 1040392844 WVDHWQFCAIAEHR-VBQJREDUSA-N 319.405 -0.033 30 20 DBED C=CCOCC(=O)N1CC[C@@](O)(CNC(=O)c2ncccn2)C1 1040674306 VMVOWRAJQFTYQF-OAHLLOKOSA-N 320.349 -0.628 30 20 DBED C#CCN1CCC2(CC1)CCN(C(=O)CN1CCNC(=O)C1)C2 1040799367 AGQVOMYKXAJTFV-UHFFFAOYSA-N 318.421 -0.634 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)CCC=C)C1 1041973419 ZTYWHUZOKIIXNK-AWEZNQCLSA-N 319.405 -0.260 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@H]3CCN(CC(N)=O)[C@@H]3C2)c1 1042001154 UEPFASLUGKOAFO-DGCLKSJQSA-N 301.350 -0.092 30 20 DBED Cn1cc(C(=O)N2CC[C@H]3CCN(CC#N)[C@H]3C2)c(O)nc1=O 1042353219 JXSZJYRQABPXOC-PWSUYJOCSA-N 317.349 -0.454 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)c2cccc(O)n2)C1 1042357194 NFDZQZSWIVDQJP-UHFFFAOYSA-N 321.333 -0.707 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)[C@@H](C)C2CC2)C1 1042378675 YDQSFUAWZTUZPO-RYUDHWBXSA-N 308.378 -0.240 30 20 DBED C=C(C)CCC(=O)NCC1(O)CN(C(=O)[C@H](C)CC(N)=O)C1 1043314828 JBRFOHMBLIXZJM-LLVKDONJSA-N 311.382 -0.456 30 20 DBED N#Cc1cncc(N2C[C@H](O)[C@H](NC(=O)[C@@H]3CC3(F)F)C2)n1 1043927963 WUOFMRCFLGTVBX-AEJSXWLSSA-N 309.276 -0.331 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)[C@H](C)n2cncn2)C1 1044456070 PLCIJUREONRAHT-NSHDSACASA-N 321.381 -0.259 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)C2(N(C)C)CCC2)C1 1045551562 JRFDFBCQKQTUHK-LLVKDONJSA-N 308.382 -0.680 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)c2c(F)cncc2F)C1 1045552358 SGXOXSCOVFPJLN-QMMMGPOBSA-N 324.287 -0.177 30 20 DBED C=CCN1C[C@H]2CN(C(=O)[C@@H]3COCCN3C(C)=O)C[C@H]2C1 1049223160 IIWZGXNBKFISNB-ZNMIVQPWSA-N 307.394 -0.190 30 20 DBED C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)CN1C(=O)CNC1=O 1049880444 ANFZTMWNTVESDY-RYUDHWBXSA-N 304.350 -0.763 30 20 DBED CN(C)C(=O)CN1CCOC[C@@H]1CNC(=O)c1c[nH]c(C#N)c1 1050880686 WONIAYCXUGDHJH-ZDUSSCGKSA-N 319.365 -0.595 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)c1cnc2[nH]nnc2c1 1050956000 UOPWTEZGAKWOLN-LLVKDONJSA-N 300.322 -0.583 30 20 DBED CC#CCN1CCOC[C@@H]1CNC(=O)[C@@H]1CCc2nn[nH]c2C1 1051210019 RHXKTZDQKWAHBC-OLZOCXBDSA-N 317.393 -0.250 30 20 DBED COc1ccc(CNC[C@H]2CN(C(=O)[C@@H](C)C#N)CCO2)nn1 1051494299 HFMXYCMYHPUAHW-AAEUAGOBSA-N 319.365 -0.038 30 20 DBED CNC(=O)CN1CC2(C1)CN(C(=O)c1c[nH]c(C#N)c1)CCO2 1053221812 XPDCMJHIFUZJHS-UHFFFAOYSA-N 317.349 -0.841 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)c3c[nH]c(C(N)=O)c3)CO2)C1 1054009231 RSRUMQATVGOIBR-LLVKDONJSA-N 302.334 -0.680 30 20 DBED CCOCC(=O)N[C@@]1(CO)CCCN(C(=O)C#CC2CC2)C1 1055731920 NNKSAJINXHAPHW-INIZCTEOSA-N 308.378 -0.094 30 20 DBED N#Cc1cnccc1N1C[C@H]2[C@H](NC(=O)Cn3cnnn3)[C@H]2C1 1056127862 FHMDOPPDUDJGMS-YABSGUDNSA-N 310.321 -0.809 30 20 DBED CCn1ncc(C(=O)N[C@H]2[C@@H]3CN(c4cnc(C#N)cn4)C[C@@H]32)n1 1056204504 ZQVXBUATJQMBPM-YABSGUDNSA-N 324.348 -0.176 30 20 DBED CN1CC[C@@H](C(=O)N[C@H]2[C@@H]3CN(c4ccnc(C#N)n4)C[C@@H]32)C1 1056229495 XZBMWCNTXOJIAJ-FJJYHAOUSA-N 312.377 -0.149 30 20 DBED N#Cc1cnc(N[C@@H]2CCN(C(=O)C3(C(N)=O)CC3)C2)cn1 1056759566 HYZNYEMFHXURNJ-SECBINFHSA-N 300.322 -0.373 30 20 DBED N#Cc1ccc(C(=O)N(CCO)CCNC(=O)c2cnon2)[nH]1 1057369320 VZNSCRBXAALLNQ-UHFFFAOYSA-N 318.293 -0.866 30 20 DBED O=C(Cc1ncc[nH]1)NCCN(CCO)C(=O)C#CC1CC1 1057533430 NRUGINWWLLQHCC-UHFFFAOYSA-N 304.350 -0.697 30 20 DBED C#CCOCCC(=O)N(CCO)CCNC(=O)c1oncc1C 1057579002 GIQWFKCZBRILDU-UHFFFAOYSA-N 323.349 -0.426 30 20 DBED N#Cc1cc(C(=O)NCCN(CCO)C(=O)c2cnco2)c[nH]1 1058193170 IIXWXABIHSKTPS-UHFFFAOYSA-N 317.305 -0.261 30 20 DBED N#Cc1cncc(N2C[C@@H]3CC[C@H](C2)N3C(=O)Cn2cncn2)n1 1058759171 QTRUGPJYWPJZBL-BETUJISGSA-N 324.348 -0.180 30 20 DBED O=C(Cn1cnnn1)NCC[C@H]1CCN(C(=O)C#CC2CC2)C1 1059620882 KUENCUIXCLLLSK-ZDUSSCGKSA-N 316.365 -0.559 30 20 DBED C=CCOCC(=O)N1CCOC[C@H]1CNC(=O)c1ncccn1 1061810415 UOVBIJWNOWYOPH-GFCCVEGCSA-N 320.349 -0.364 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H]1CCCCN1C(=O)C(F)F 1061953704 YZBDAELUHCRMRB-SNVBAGLBSA-N 315.320 -0.112 30 20 DBED Cc1nc(CC(=O)N2C[C@@H]3C[C@H]2CN3c2ccnc(C#N)n2)n[nH]1 1062488093 LBESCBUJVZEPJX-QWRGUYRKSA-N 324.348 -0.193 30 20 DBED N#Cc1cncc(N2CCO[C@H](CNC(=O)c3cnon3)C2)n1 1063639025 KFZYRMHZHKVHGF-SNVBAGLBSA-N 315.293 -0.634 30 20 DBED N#Cc1ccc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)c2cncnc2O)nn1 1064309307 MTCZSOLELDKPTE-WLTAIBSBSA-N 323.316 -0.149 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCO[C@@H](CNC(=O)C(F)F)C1 1065155550 YHJNDUVEIYMJKC-UWVGGRQHSA-N 304.293 -0.367 30 20 DBED C[C@@]1(NC(=O)[C@@H]2COC(=O)N2)CCN(c2nccnc2C#N)C1 1065251100 PXFZWZPVQIRXOR-IINYFYTJSA-N 316.321 -0.458 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)Cn2ccnc2)C1 1065561224 PSOMOVXQCSEQES-NEPJUHHUSA-N 305.338 -0.614 30 20 DBED CN(C(=O)[C@H]1CCCO1)[C@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1065566619 RTPYTIAANSLKPX-RWMBFGLXSA-N 317.349 -0.465 30 20 DBED Cc1nn[nH]c1C(=O)N1C[C@@H]2CN(c3ccnc(C#N)n3)C[C@@H]2C1 1066050816 RTSWFMLHOLLVHV-PHIMTYICSA-N 324.348 -0.017 30 20 DBED N#Cc1ccc(N2CC[C@@H]3[C@H]2CCCN3C(=O)C(N)=O)nn1 1066183461 QMLPJGDTBOZOHN-GHMZBOCLSA-N 300.322 -0.597 30 20 DBED CC(=O)N1CC(C(=O)N(C)CCCN(C)C(=O)[C@H](C)C#N)C1 1067278043 RBRMWWDWEHXZSG-LLVKDONJSA-N 308.382 -0.069 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@H]2CCN(C)C2)C[C@H]1c1cn(C)cn1 1070563401 BKJCZDMOQXPSOZ-OFQRWUPVSA-N 315.421 -0.111 30 20 DBED N#CCN1CCOC[C@@H]1c1n[nH]c(CNC(=O)c2ncc[nH]2)n1 1070584939 LLISZFULBBKBLQ-SECBINFHSA-N 316.325 -0.645 30 20 DBED C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1NC(=O)c1cn(C)nn1 1071662423 VEFSBUICTXBZFA-NXEZZACHSA-N 322.394 -0.351 30 20 DBED COC(=O)NCC(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1C 1072050244 ZVCGEMAMTNBXTE-CMPLNLGQSA-N 307.350 -0.281 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1C 1072164030 COHOYLYQBBDWNL-NWDGAFQWSA-N 304.354 -0.560 30 20 DBED C#CCCCC(=O)N1CC[C@H](NC(=O)Cn2cnnn2)[C@@H](C)C1 1073691309 BLHXGPFQNSHWNW-STQMWFEESA-N 318.381 -0.170 30 20 DBED CC(C)C#CC(=O)N1CC[C@H](NC(=O)CNC(N)=O)C[C@H]1C 1074818542 ILFGAZGZUBRFGH-NEPJUHHUSA-N 308.382 -0.190 30 20 DBED C#CCO[C@H](C)C(=O)NCC[C@H](C)NC(=O)CN1CCCC1=O 1076508637 BXGNLYQQTOSNKA-QWHCGFSZSA-N 323.393 -0.342 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCN2c2nccs2)C1 1077446272 AOUWYWIYFXVHRE-IJLUTSLNSA-N 321.406 -0.203 30 20 DBED Cn1nncc1CNC[C@@H]1CN(C(=O)C#CC2CC2)CCCO1 1078398703 RLPZCOHUCVHRRG-OAHLLOKOSA-N 317.393 -0.064 30 20 DBED C=CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)Cn2ncnn2)C1 1079981209 LFONDPKMORFZKV-LLVKDONJSA-N 322.369 -0.677 30 20 DBED CCN(C(=O)CN1CCCNC1=O)C1CN(C(=O)[C@H](C)C#N)C1 1080067045 KYXZBPAHTLMQRL-LLVKDONJSA-N 321.381 -0.379 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(N(CC)C(=O)c2cnn(C)n2)C1 1080094127 LNGXZUPWONJZDZ-LLVKDONJSA-N 319.365 -0.474 30 20 DBED CC(F)(F)C(=O)NC[C@H]1CN(C(=O)CSCC#N)C[C@@H]1O 1081183952 MTBLZCDMNCKEGR-IUCAKERBSA-N 321.349 -0.166 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@H]1CCc2nn[nH]c2C1 1082324749 YZUGTSIUCZLDEA-ZWKOPEQDSA-N 304.354 -0.751 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CCc2nn[nH]c2C1 1083247536 UYAXETYKXMPTFE-TUKIKUTGSA-N 315.377 -0.546 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2csc(NC(C)=O)n2)C1 1083596742 NKTAIWJAFSKMSC-KOLCDFICSA-N 308.363 -0.490 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](NC(=O)c2nnc(O)nc2O)C1 1083606910 VYTICLUVAAKTNR-BDAKNGLRSA-N 309.326 -0.976 30 20 DBED C#CCCN1CC[C@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)[C@H]1CC 1087833088 KHBYWPDRISNZGA-RWMBFGLXSA-N 313.423 -0.330 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@@H]2CCNC2=O)CC2(CCOCC2)C1 1089947280 BDLHCFZKYWSWSG-UONOGXRCSA-N 319.405 -0.257 30 20 DBED C#CCN1CC[C@@H](NC(=O)C(C)(C)c2cnn(C)c2)[C@H](O)C1 1090686246 NBNGVERACISWTF-ZIAGYGMSSA-N 304.394 -0.118 30 20 DBED C#CCN1CC[C@H](NC(=O)Cc2c(C)nc(C)nc2O)[C@@H](O)C1 1090805220 MELAKHDFZCLNAH-KBPBESRZSA-N 318.377 -0.474 30 20 DBED CC(C)(O)CC(=O)N[C@@H]1CCN(c2ccnc(C#N)n2)C[C@H]1O 1092146794 WBYUIDAKTBUGIK-GHMZBOCLSA-N 319.365 -0.435 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@H]2CN(c3cnc(C#N)cn3)C[C@H]12 1093265263 BQYLGCXRWDFIFS-RYUDHWBXSA-N 324.344 -0.961 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H]1[C@@H]2CN(c3nccnc3C#N)C[C@@H]21 1093310123 FKDUVWOPHVKSQX-NMKXLXIOSA-N 311.345 -0.063 30 20 DBED CCC[C@@H](NC(N)=O)C(=O)NCCN=c1cc[nH]cc1C#N 1093775678 CWFRJONMXKIJLB-GFCCVEGCSA-N 304.354 -0.260 30 20 DBED CCn1cc(CC(=O)NCCNc2cnc(C#N)cn2)nn1 1094281549 JYEUSWZJURWFDQ-UHFFFAOYSA-N 300.326 -0.270 30 20 DBED N#CCN1CCN(C(=O)Cc2ccoc2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094625859 CNOXBNXTSMVJCB-QWHCGFSZSA-N 323.374 -0.345 30 20 DBED CN(CCCNC(=O)[C@@H]1CC[C@H]1C(N)=O)c1nccnc1C#N 1095696422 AJNOKVYGXPSUCS-GHMZBOCLSA-N 316.365 -0.198 30 20 DBED N#Cc1ccc(N2CC[C@@H](NC(=O)CCn3cnnn3)C2)nc1 1096415141 JFEYCPYAZIVTQS-GFCCVEGCSA-N 312.337 -0.275 30 20 DBED C[C@@H](CNC(=O)C1CC(=O)NC(=O)C1)Nc1nccnc1C#N 1097937365 URWVQMLQEYBGNX-QMMMGPOBSA-N 316.321 -0.682 30 20 DBED C#CCCN(CCO)C1CCN(C(=O)C[C@H]2CCC(=O)N2)CC1 1098498383 OITIJTPTWYXXSI-CQSZACIVSA-N 321.421 -0.036 30 20 DBED C#CCNCc1cn([C@H]2CCN(C(=O)c3cnns3)C2)nn1 1098626335 OPMHBLQBXZOKKL-NSHDSACASA-N 317.378 -0.060 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@H]2CCNC2=O)C[C@H]1C(F)(F)F 1099289454 NTVBLDDRJKQSIM-IVZWLZJFSA-N 303.284 -0.265 30 20 DBED C#CCCCC(=O)N[C@@H]1CCN(CCS(C)(=O)=O)C[C@H]1O 1099806710 FOLYZTMPZMUFKJ-CHWSQXEVSA-N 316.423 -0.614 30 20 DBED C#CCCCC(=O)N[C@@H]1CCN(CCS(C)(=O)=O)C[C@@H]1O 1099806711 FOLYZTMPZMUFKJ-OLZOCXBDSA-N 316.423 -0.614 30 20 DBED C[C@@H](C(=O)NCCN(C)c1ccc(C#N)nn1)n1cncn1 1100028303 NTUMFVZANIXXIB-JTQLQIEISA-N 300.326 -0.247 30 20 DBED CCCNC(=O)CCCC(=O)N[C@@H]1CCN(CC#N)C[C@H]1O 1100079212 VZULUBFGXGMJFN-CHWSQXEVSA-N 310.398 -0.242 30 20 DBED C=C(Cl)CN1CC[C@@H](NC(=O)CCCC(N)=O)[C@@H](O)C1 1100143193 PIVZMSFQFZAVCL-MNOVXSKESA-N 303.790 -0.054 30 20 DBED Cc1cc(C#N)nc(N(C)CCNC(=O)[C@@H]2CCNC2=O)n1 1100268463 ANVJDYBADOJJCF-LLVKDONJSA-N 302.338 -0.655 30 20 DBED CN(CCNc1cnc(C#N)cn1)C(=O)C[C@H]1CCC(=O)N1 1101678399 RLYGOCHQUZLXAU-SNVBAGLBSA-N 302.338 -0.113 30 20 DBED C[C@@H]1CN(Cc2nnn(C)n2)C[C@H]1CNC(=O)C#CC1CC1 1101951369 MPEAZNQEVZTCMX-DGCLKSJQSA-N 302.382 -0.192 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN([C@@H](C)C(=O)NC)C[C@H]1C 1101960794 MHVPDGBAFHNRKH-HZSPNIEDSA-N 309.410 -0.155 30 20 DBED C[C@H](CN=c1cc[nH]cc1C#N)CNC(=O)c1c[nH]c(=O)cn1 1104167411 VJAVBLRZBXPWAI-SNVBAGLBSA-N 312.333 -0.064 30 20 DBED C[C@H](CNc1cnc(C#N)cn1)N(C)C(=O)[C@@H]1CN(C)CCO1 1104537761 IJLKCMXAYONXPI-YPMHNXCESA-N 318.381 -0.062 30 20 DBED C[C@H](CN=c1cc[nH]cc1C#N)N(C)C(=O)CCNC(N)=O 1104564844 IGEKVHMIAINYDD-SNVBAGLBSA-N 304.354 -0.308 30 20 DBED N#CCNCc1cn(C2CN(C(=O)COCC3CC3)C2)nn1 1105171763 RPNOUYHNGGHPKN-UHFFFAOYSA-N 304.354 -0.299 30 20 DBED C=CCNCc1cn(C2CN(C(=O)[C@H]3C[C@H]3C(=O)OC)C2)nn1 1105188187 RAOSLJQYJQDWJV-QWHCGFSZSA-N 319.365 -0.254 30 20 DBED CN(CCN(C)c1ccnc(C#N)n1)C(=O)[C@@H]1CCC(=O)N1 1105440049 BRZWYUVIFJVVIG-JTQLQIEISA-N 302.338 -0.479 30 20 DBED C#CCO[C@H](C)C(=O)N(C)CCN(C)c1nccn2nnnc12 1105469172 NUWSGGUSJXGZHZ-LLVKDONJSA-N 317.353 -0.548 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)c2cnsn2)nn1 1105723315 MKCLZUXVTNGSHC-MRVPVSSYSA-N 305.323 -0.597 30 20 DBED COC(=O)NCC(=O)NC[C@@H](O)CNc1nc(C)ccc1C#N 1105723746 VPMDWEVMBMDGPH-LLVKDONJSA-N 321.337 -0.493 30 20 DBED Cc1nc(C(=O)NC[C@@H](O)CNc2ccc(C#N)nn2)co1 1105799283 ZHWLKVYTDPTTLQ-JTQLQIEISA-N 302.294 -0.153 30 20 DBED CC(C)OCCCC(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1 1105886531 PWXLOIMULKEHNY-GFCCVEGCSA-N 321.381 -0.136 30 20 DBED CO[C@@H](CC(C)C)C(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1 1106082544 ZJYYOVNPTGVACG-NEPJUHHUSA-N 321.381 -0.280 30 20 DBED C[C@@H]1CN(C(=O)CCn2ncn(C)c2=O)C[C@H]1CNCC#N 1106469994 UGLAYLMZVSXKSJ-VXGBXAGGSA-N 306.370 -0.820 30 20 DBED C=C(C)CN1CC(n2cc(CNC(=O)CNC(=O)NC)nn2)C1 1107178117 IDVGDCNVCZIONG-UHFFFAOYSA-N 321.385 -0.744 30 20 DBED C#CCCN1CCO[C@](C)(CNC(=O)[C@H]2CN(CC)CCO2)C1 1108410410 QSRXFURIYHHXRO-NVXWUHKLSA-N 323.437 -0.063 30 20 DBED CNC(=O)CC(=O)N[C@H](CNc1cncc(C#N)n1)C1CC1 1109841943 MSAKNRFPEIQWPQ-LLVKDONJSA-N 302.338 -0.209 30 20 DBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cn1cccn1 1110280243 SCGNQOBDGGDWFM-UPJWGTAASA-N 316.365 -0.756 30 20 DBED O=C(C#CC1CC1)N[C@@H]1C[C@H]2CC[C@@H]1N2[C@@H]1CCC(=O)NC1=O 1110539573 YTVQJAOTCBFPRX-YIYPIFLZSA-N 315.373 -0.074 30 20 DBED CC(=O)N(C)CC(=O)N[C@]1(C)CCN(c2nccnc2C#N)C1 1110722552 MEPFNWKDDURJBF-OAHLLOKOSA-N 316.365 -0.088 30 20 DBED CNC(=O)NCC(=O)N[C@@]1(C)CCN(c2ccnc(C#N)n2)C1 1110822919 YNCSGFKMBUFJHJ-AWEZNQCLSA-N 317.353 -0.638 30 20 DBED C#CCOCCC(=O)NC[C@]1(O)CCN(c2cnc(F)cn2)C1 1111098520 SKAAOWOVAJGHLW-OAHLLOKOSA-N 322.340 -0.287 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cn1cncn1 1111364803 KJSNGVPYNUMCMC-MCIONIFRSA-N 303.366 -0.351 30 20 DBED N#Cc1ccc(NCCN(CCO)C(=O)C2=COCCO2)nn1 1111424565 NLZUWBBRXJXQQQ-UHFFFAOYSA-N 319.321 -0.531 30 20 DBED N#Cc1cncc(NCCN(CCO)C(=O)C2=CCOCC2)n1 1111457147 LXIBCCQJONOVOU-UHFFFAOYSA-N 317.349 -0.072 30 20 DBED COC(=O)NCC(=O)N1C[C@H](C)[C@H](N=c2cc[nH]c(C#N)n2)C1 1112297519 CIOXEIJAXBCTFY-VHSXEESVSA-N 318.337 -0.615 30 20 DBED C#CCNC(=O)CC(=O)N1CCN(CCOCC(F)F)CC1 1112777628 FWUJHIVOUIDWGF-UHFFFAOYSA-N 317.336 -0.448 30 20 DBED C#CCO[C@H](C)C(=O)N1CCN(CCN2CCCC2=O)CC1 1112841670 HQHDUFQRVIGQAS-CQSZACIVSA-N 307.394 -0.209 30 20 DBED C#CCOCCC(=O)N1CCN(CCN2CCNC2=O)CC1 1112843675 ANOFONXMOSMDON-UHFFFAOYSA-N 308.382 -0.804 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCN(Cc2nnnn2CCC)CC1 1112846029 CTBHEZNFYCUTMC-ZDUSSCGKSA-N 320.397 -0.234 30 20 DBED COCC#CCN1CCN(C(=O)[C@H]2CN3CCC[C@@H]3CO2)CC1 1112868286 LEBJDLJLJPUZIX-HZPDHXFCSA-N 321.421 -0.356 30 20 DBED C[C@H](NC(=O)C1(C(N)=O)CC1)[C@H](C)Nc1ccc(C#N)nn1 1113274297 PHDWQPLTTDKOSA-IUCAKERBSA-N 302.338 -0.081 30 20 DBED C[C@H](CNC(=O)CCNC(N)=O)N(C)c1ccnc(C#N)n1 1113609436 KTVMJASQDJQUGX-SECBINFHSA-N 305.342 -0.652 30 20 DBED C[C@H](CNC(=O)Cn1nccn1)N(C)c1ccc(C#N)nn1 1113737339 RRPWMTCTTKMQEV-SNVBAGLBSA-N 300.326 -0.419 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)Cc3cc(C)on3)[C@H]2C1 1114074267 IVRUCQMRRZVPBT-STQMWFEESA-N 318.377 -0.126 30 20 DBED CNC(=O)NCCC(=O)N[C@H]1[C@@H]2CN(CC#CCOC)C[C@@H]21 1114222503 AACDRHWVNYBZHL-IMRBUKKESA-N 308.382 -0.998 30 20 DBED CC(C)(C)C#CC(=O)N[C@H]1[C@@H]2CN([C@@H]3CCC(=O)NC3=O)C[C@@H]21 1114255323 GTXWWNFSZQWQML-ZAZJYDDPSA-N 317.389 -0.113 30 20 DBED C=CCCN1C[C@H]2[C@H](NC(=O)CCn3ncn(C)c3=O)[C@H]2C1 1114619260 SUMKRTBHLRRURS-IMRBUKKESA-N 305.382 -0.406 30 20 DBED C=CCCC1(C(=O)N[C@H]2[C@@H]3CN(CC(=O)NC(N)=O)C[C@@H]32)CC1 1114794149 CSWHIMJZPUXWLW-PJXYFTJBSA-N 320.393 -0.026 30 20 DBED C=CCN1C[C@H]2C(NC(=O)CCn3cc[nH]c(=O)c3=O)[C@@H]2C1 1114986572 IIEPHPUTTSJESH-GHMZBOCLSA-N 304.350 -0.841 30 20 DBED C[C@@H](CCCNc1cnc(C#N)cn1)NC(=O)[C@@H]1CNC(=O)N1 1115062532 VISABQKGZZGLKT-ONGXEEELSA-N 317.353 -0.274 30 20 DBED C#Cc1ccc(C(=O)NC2[C@H]3CN(C[C@H](O)COC)C[C@H]23)cn1 1115140320 VOKJBFKWKYNBNQ-KKUMJFAQSA-N 315.373 -0.270 30 20 DBED C=CCO[C@H](C)C(=O)NC1[C@@H]2CN(Cc3nc(=O)n(C)[nH]3)C[C@@H]12 1115331972 HMORWBNTBLRZDX-GMTAPVOTSA-N 321.381 -0.754 30 20 DBED C=CCO[C@H](C)C(=O)NC1[C@H]2CN(Cc3cnnn3C)C[C@H]12 1115332604 PGIZJIXPTMXFAL-WXHSDQCUSA-N 305.382 -0.047 30 20 DBED C[C@](C#N)(NC(=O)CN1C(=O)N[C@@]2(CCOC2)C1=O)C1CC1 1116379209 VKORFWTXLNFOSH-ZIAGYGMSSA-N 306.322 -0.494 30 20 DBED C[C@H](O)C[C@@H](C)NC(=O)NCCN/C(O)=C1/N=CC=CC1=O 1116543586 YMALOLFKUIQTQB-FLNMKHRVSA-N 310.354 -0.029 30 20 DBED CC(C)[C@]1(CO)CCN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)C1 1118189460 PQEWWNGDPLHZNV-HZPDHXFCSA-N 323.393 -0.270 30 20 DBED C#CCNC(=O)CN1CCN(C[C@H]2CCNC(=O)CC2)CC1 1118368731 QJDYMPKRBDMVQV-CQSZACIVSA-N 306.410 -0.730 30 20 DBED Cc1cc(N[C@@H](CO)CNC(=O)C#CC2CC2)n2ncnc2n1 1121439463 LIXMCEWHQKLRKH-GFCCVEGCSA-N 314.349 -0.265 30 20 DBED Cc1c[nH]cc1C(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1 1121588945 DNNHLAROAUOQPD-SNVBAGLBSA-N 300.322 -0.391 30 20 DBED CCN(CC)CC(=O)NC[C@H](CO)N=c1cc[nH]cc1C#N 1121660130 VUDNSGRURFDEQS-CYBMUJFWSA-N 305.382 -0.394 30 20 DBED Cc1ccc(C#N)c(N[C@@H](CO)CNC(=O)[C@H]2C[C@H]2C(N)=O)n1 1122566942 GMJWUEABHNNCTN-UTUOFQBUSA-N 317.349 -0.728 30 20 DBED N#Cc1nc(=N[C@H](CO)CNC(=O)C2(F)CCOCC2)cc[nH]1 1122748447 SJQWHHCWWCXINT-JTQLQIEISA-N 323.328 -0.822 30 20 DBED Cc1nsc(NC[C@H](O)CN(C)C(=O)c2cnn[nH]2)c1C#N 1124895459 HYUJKKWNFOWCDV-QMMMGPOBSA-N 321.366 -0.014 30 20 DBED C#CCOCCC(=O)NCCN[C@H](C)C(=O)Nc1ncccn1 1127032122 UFJBHJQBCLLZIR-GFCCVEGCSA-N 319.365 -0.451 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1=O 1127558913 VGONYFMIJYIFHV-FRRDWIJNSA-N 322.409 -0.606 30 20 DBED C=CCCCN1C[C@H](n2ccnn2)[C@H](NC(=O)CC(=O)NC)C1 1128944892 KNBVGMNALDUWPF-OLZOCXBDSA-N 320.397 -0.278 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(CCF)C[C@@H]1n1ccnn1 1128962265 RHOGIMGLBPIWSM-DYEKYZERSA-N 311.361 -0.084 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CCn2ccnc2C1 1130484124 FTFYMDFQLHCPLI-OLZOCXBDSA-N 317.393 -0.711 30 20 DBED C#CCNC(=O)CNCCNC(=O)CCN(C)c1ccncc1 1130556702 TVVMNPHLTQMOOT-UHFFFAOYSA-N 317.393 -0.637 30 20 DBED C=CCCCN1C[C@H]2C[C@@H]3CN(C(=O)CNC(N)=O)C[C@@]3(C1)O2 1131177034 BNPCENQTWYABER-XJKCOSOUSA-N 322.409 -0.077 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1ccnc2ccncc12 1131848501 ULPZPSFJAHLBHW-UHFFFAOYSA-N 312.333 -0.411 30 20 DBED C#CCCN1C[C@H](NC(=O)CN(C)S(C)(=O)=O)CC[C@H]1C 1132079313 WQHAOXCHPHIEFM-CHWSQXEVSA-N 315.439 -0.130 30 20 DBED C#CCNC(=O)CN1C[C@H](NC(=O)Cc2nc[nH]n2)CC[C@H]1C 1132414457 QKIKFKLTXFWMOE-VXGBXAGGSA-N 318.381 -0.934 30 20 DBED C=CCNC(=O)CNC[C@H]1CN(C(=O)CC(=O)NC)CC[C@@H]1C 1132773618 NJFGVYKHGRACEU-STQMWFEESA-N 324.425 -0.501 30 20 DBED C=CCn1cc(C(=O)NCCNCc2nnc(C)n2CC)nn1 1134980459 FGDMABJPBKLKTA-UHFFFAOYSA-N 318.385 -0.096 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)Cn1ccnc1 1146771657 OYKNQEIFSPWBND-STQMWFEESA-N 305.382 -0.495 30 20 DBED C#CCCN1CCC(CCOC)(NC(=O)c2nnn(C)n2)CC1 1151243182 YOFBZHLMUAHCGR-UHFFFAOYSA-N 320.397 -0.166 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)CNC(=O)[C@H](C)CC)C1=O 1151366606 PAVXMBMESJADMT-OLZOCXBDSA-N 324.425 -0.359 30 20 DBED N#CCNC(=O)CNCCNC(=O)CCCCN1CCCC1 1153309027 HQZGPVFIPIDJEL-UHFFFAOYSA-N 309.414 -0.402 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)[C@@H](C)NC(C)=O)C1=O 1154373231 OTQAGRPIAJYHDU-YPMHNXCESA-N 310.398 -0.606 30 20 DBED C=C(C)CN(CC)[C@H](C)CNC(=O)C[C@H](NC(C)=O)C(N)=O 1155644813 OSHPIMCTKXLXEN-YPMHNXCESA-N 312.414 -0.231 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)c1cnn(CC)n1 1157526824 VFIBIQRTIZAKIS-LLVKDONJSA-N 308.386 -0.302 30 20 DBED N#Cc1ccc(CNCCCNC(=O)Cn2ncnn2)cc1F 1158163034 GYGGCHASVDLVFO-UHFFFAOYSA-N 317.328 -0.020 30 20 DBED C=CCN1CCC(CNC(=O)Cn2ncnn2)(COC)CC1 1162275414 PHFKQWFXRCJEGU-UHFFFAOYSA-N 308.386 -0.296 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@H](CC)N(CC)CC 1166432785 ODLKEVUPIZQYBJ-AWEZNQCLSA-N 310.442 -0.048 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)NCCCNCc1cnn(C)n1 1167678036 PHKXSPVFKJRSLH-CQSZACIVSA-N 322.413 -0.118 30 20 DBED CCCN(C)CC(=O)NCCC1(CNCC(=O)NCC#N)CC1 1167814843 HBCCPOSYLGBFCM-UHFFFAOYSA-N 323.441 -0.156 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)CCS(C)(=O)=O)C[C@@H]21 1177043672 YYXPYZLQMMFBLF-QWHCGFSZSA-N 314.407 -0.644 30 20 DBED CS(=O)(=O)CCC(=O)N1CC[C@@H]2OCCN(CC#N)[C@H]2C1 1177043767 ZUXTYXCPCZYPIC-RYUDHWBXSA-N 315.395 -0.754 30 20 DBED N#CCNC[C@@H]1C[C@H]2CC[C@H]1N(C(=O)CN1CCNC(=O)C1)C2 1177876161 HGVSIWFVZNIHSK-HZSPNIEDSA-N 319.409 -0.842 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)Cc2cnoc2)[C@H]1C 1179391994 CGHXPGXTHMCBRM-DYEKYZERSA-N 318.377 -0.066 30 20 DBED C#CCNCc1cn([C@H]2CCCN(C(=O)CC(N)=O)C2)nn1 1185898819 GZUWNRUDMXCWSG-LBPRGKRZSA-N 304.354 -0.960 30 20 DBED C=CCCOCC(=O)N1CC[C@@H](N(C)Cc2nnnn2C)C1 1194382047 STKRTFXHCUNWKN-GFCCVEGCSA-N 308.386 -0.165 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)CCn2cc(C)cn2)C1 1199057769 RYVXMVWIZUDXQZ-HUUCEWRRSA-N 320.393 -0.607 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)COCCOC)CC1 1199870336 MESBFHWZVIBASF-UHFFFAOYSA-N 313.398 -0.468 30 20 DBED C=CCOCC(=O)N1CCCO[C@H](CN[C@@H](CC)C(N)=O)C1 1200114709 HNHDEABWECRJGF-OLZOCXBDSA-N 313.398 -0.340 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCCO[C@@H](CNCC#CCOC)C1 1200479254 PCWMTGBIJBBLNG-HOTGVXAUSA-N 322.405 -0.118 30 20 DBED COCCn1cc(C(=O)N2CCCO[C@@H](CNCC#N)C2)cn1 1201959661 XGXYDVIKCPKQPK-AWEZNQCLSA-N 321.381 -0.126 30 20 DBED C=CCNC(=O)[C@H](C)NC1CCN(C(=O)c2nc[nH]n2)CC1 1202992248 ZIYAZERUIFOVCK-JTQLQIEISA-N 306.370 -0.310 30 20 DBED C#CCCN[C@H]1C[C@H]2CC[C@H]1N(C(=O)c1nnc(O)nc1O)C2 1204528653 DKWGVMKKJLGOAL-OUAUKWLOSA-N 317.349 -0.111 30 20 DBED C=CCCNCC1CCN(C(=O)CN2C(=O)CNC2=O)CC1 1206916350 GNJZGKRFGBIBID-UHFFFAOYSA-N 308.382 -0.058 30 20 DBED COCC#CCN[C@H]1CCCN(C(=O)[C@]2(C)CCNC2=O)C1 1209615611 WASZFHOGKZREPK-XJKSGUPXSA-N 307.394 -0.257 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)CC2CC2)[C@H](OC)C1 1211758914 BRTPAZZKSOFJJK-IACUBPJLSA-N 307.394 -0.260 30 20 DBED C#CCC1(C(=O)N[C@@H]2CN(CC(N)=O)C[C@H]2OC)CCOCC1 1212395263 DHEQDDNAMPXSQK-CHWSQXEVSA-N 323.393 -0.893 30 20 DBED C=CCN1C[C@@H](NC(=O)CCCS(N)(=O)=O)[C@H](OC)C1 1213354977 BNTMAEAQMHJNJQ-GHMZBOCLSA-N 305.400 -0.944 30 20 DBED CC#CCN1C[C@@H](NC(=O)CCCS(C)(=O)=O)[C@H](OC)C1 1213563625 LAHQPQVLQMWWEB-CHWSQXEVSA-N 316.423 -0.350 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@H](C)n2cccn2)C[C@H]1C 1214176438 DFIPBJKWGJFBRV-HZSPNIEDSA-N 317.393 -0.370 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@@H](NCC(=O)NCCC)[C@H](C)C1 1214604818 NTVMKHXQBYYWFC-HZSPNIEDSA-N 309.410 -0.013 30 20 DBED C[C@@H]1CN(C(=O)C[C@@H]2CCN(C)C2)C[C@H]1NCC(=O)NCC#N 1216383046 HBLKVMUOIVRJFU-HZSPNIEDSA-N 321.425 -0.596 30 20 DBED COCC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H](C)NC(C)=O 1217238199 WQAHJKKIFSDXLE-AEGPPILISA-N 323.393 -0.928 30 20 DBED C/C(=C\C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@@H]1O)C1CC1 1219279635 VSMPKDJVNHBLAW-QFPXWBCESA-N 306.366 -0.856 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CN(CC(=O)N2CCCCCC2)C[C@@H]1O 1219379000 KXNAWSUYFJIKGP-MJBXVCDLSA-N 322.409 -0.290 30 20 DBED C#CCCCCC(=O)N[C@@H]1CN(Cc2cnn(C)n2)C[C@@H]1O 1219482021 HVVABHAZMBHBKG-KGLIPLIRSA-N 305.382 -0.330 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2nc(C)no2)C[C@@H]1O 1219611799 JXZPLPQUGZRWEM-NEPJUHHUSA-N 308.338 -0.921 30 20 DBED N#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C2C=CC=CC=C2)C1 1219708921 HLZDAJIBQPQFKS-KGLIPLIRSA-N 316.361 -0.914 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)C2(NC(C)=O)CCCCC2)C1 1219895013 ZWTXRNVDLHXVHX-KGLIPLIRSA-N 307.394 -0.380 30 20 DBED C#CCCCCCC(=O)N[C@@H]1CN([C@H](C)C(=O)NC)C[C@@H]1O 1220146650 LLACSMCZCMKPGO-MCIONIFRSA-N 309.410 -0.134 30 20 DBED CN1CC[C@@H](C(=O)N2C[C@H]3CCN(CC(=O)NCC#N)C[C@H]32)C1 1222013573 GLTYEFFLJLUNLR-MGPQQGTHSA-N 319.409 -0.889 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)[C@H]2C[C@@H]2OCC)CC1 1226227823 BLICDSMIYRWWGG-KBPBESRZSA-N 307.394 -0.259 30 20 DBED COCC#CCN1CC[C@H]1CN(C)C(=O)c1nccnc1N 1231273849 XBSCNWRRHBEXFU-LBPRGKRZSA-N 303.366 -0.145 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)NCCOC[C@@H]1CCCO1 1257512120 JSGZZGLYGQEJJD-AWEZNQCLSA-N 306.362 -0.217 30 20 DBED COC[C@@H](NC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1)C(C)C 1261924745 DHJHBDJHNIOVJP-ZIAGYGMSSA-N 322.409 -0.028 30 20 DBED CC(=O)NCCNC(=O)CCC(=O)N[C@@]1(C#N)CCSC1 1318917171 AWUCGBJPGWYOKV-CYBMUJFWSA-N 312.395 -0.466 30 20 DBED COC[C@](C)(C#N)NC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 1319894444 PDKIGZMVYRWOJT-AWEZNQCLSA-N 302.290 -0.125 30 20 DBED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1c2c(nn1C)CCC2 1321178765 PSGHTJFNHCJFRP-SNVBAGLBSA-N 304.350 -0.262 30 20 DBED C#CCN1CCN(CN2C(=O)NC3(CCOCC3)C2=O)CC1 1321487439 CNJLTSLUEYRFAX-UHFFFAOYSA-N 306.366 -0.704 30 20 DBED CCS(=O)(=O)C[C@H](C)NC(=O)C(=O)N1CC[C@@](F)(C#N)C1 1322762389 GHGDCZQMNYFLRN-JOYOIKCWSA-N 319.358 -0.610 30 20 DBED C#CCSCCNC(=O)C(=O)N[C@H]1CCC[C@H]1C(=O)NC 1323044501 CQWJJLMHAOTGIU-MNOVXSKESA-N 311.407 -0.500 30 20 DBED O=C1C=CC=N/C1=C(/O)NCCC(=O)N1[C@H]2CC[C@H]1CNC2 1328471669 FKGVLSWBWVTEKT-VGOAHNGKSA-N 304.350 -0.134 30 20 DBED CN(C)c1cccc(CNC(=O)C(=O)N2CCO[C@@H](C#N)C2)n1 1329496462 YPJXSNFHWLBUNU-LBPRGKRZSA-N 317.349 -0.485 30 20 DBED N#CCN1CCN(C(=O)c2cnc3n(c2=O)CCS3)CC1 1330139460 DHUCXMDCXGOHKV-UHFFFAOYSA-N 305.363 -0.370 30 20 DBED NC(=O)C[C@H]1COCCN1C(=O)c1cccc(C#CCO)c1 1332164473 MAGTWLYYDOKAAX-AWEZNQCLSA-N 302.330 -0.253 30 20 DBED C=C(C)COCCn1nnnc1N1CCO[C@@H](C(=O)NC)C1 1337280147 NZLGEMFPIRWCMC-LLVKDONJSA-N 310.358 -0.783 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C)c2nnc(C)o2)C1=O 1340752477 XUQUWDZJINJRDB-ZETCQYMHSA-N 321.293 -0.468 30 20 DBED CS(=O)(=O)[C@H]1CCC[C@H](NC(=O)NCC(=O)NCC#N)C1 1342602426 UGFRZRDICWCJHM-UWVGGRQHSA-N 316.383 -0.719 30 20 DBED N#CCn1cc(NC(=O)C(=O)N2CC(=O)N(C3CC3)C2)cn1 1344121647 VVRJGKKNFVZRLD-UHFFFAOYSA-N 302.294 -0.864 30 20 DBED COC(=O)C[C@@H]1CCCN1C(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1345974704 YEYJGPNBDHQZQO-NHYWBVRUSA-N 323.349 -0.582 30 20 DBED COCC#CC(=O)NC[C@@H]1CCC[C@@H]1NC(=O)C#CCOC 1347561697 VAQUQXWOXJDOPU-KBPBESRZSA-N 306.362 -0.313 30 20 DBED N#Cc1ccc(NCC(=O)N2CCC[C@@H](S(N)(=O)=O)C2)nc1 1362605084 SCJXAFRFPCNUFL-LLVKDONJSA-N 323.378 -0.355 30 20 DBED COC(=O)[C@H](C)N(C)C(=O)CCn1cc(C#N)c(O)nc1=O 1364024798 RFRADMYWKVLJAR-QMMMGPOBSA-N 308.294 -0.769 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CCN(C(=O)CCN2CCOCC2)C1 1385614002 PISUBPJPXVDZQE-OLZOCXBDSA-N 308.382 -0.415 30 20 DBED C=C(Br)CNC[C@H](O)CNC(=O)[C@@H]1CCOC1 1401492166 MLGISCDEHFLDOM-ZJUUUORDSA-N 307.188 -0.002 30 20 DBED C[C@H](C#N)C(=O)NCCN(C)C(=O)c1ccnc2c1nnn2C 1408674112 QHJVROIKXMHZEW-SECBINFHSA-N 315.337 -0.289 30 20 DBED CCc1ncncc1C(=O)NC[C@@H](O)CNC(=O)[C@H](C)C#N 1410119226 ZFXGKCMTWREZMG-ZJUUUORDSA-N 305.338 -0.594 30 20 DBED C[C@H]1[C@@H](N(C)C)CCN1C(=O)Cn1cc(C#N)c(O)nc1=O 1413019261 RZEWOXRAYZJZOF-ONGXEEELSA-N 305.338 -0.628 30 20 DBED CC(=O)N1CC(C(=O)N[C@@H](C)CNC(=O)c2ccc(C#N)[nH]2)C1 1430508600 ZLMWUZMWIBFXAX-VIFPVBQESA-N 317.349 -0.401 30 20 DBED CC(=O)N1CC(C(=O)N2CC[C@H](CN(C)C(=O)[C@@H](C)C#N)C2)C1 1432058052 FZHPMDDLPFADQQ-WCQYABFASA-N 320.393 -0.069 30 20 DBED CCCNC(=O)C1CCN(c2[nH]c(=O)n(C)c(=O)c2C#N)CC1 1434435552 FNPINKVXBGWHCV-UHFFFAOYSA-N 319.365 -0.312 30 20 DBED CCN(CCC#N)C(=O)CNC[C@@H](C)N(C)C(=O)c1cnn[nH]1 1444627647 HMNQYCFAOLCKOP-LLVKDONJSA-N 321.385 -0.383 30 20 DBED C[C@]1(C#N)CCCN(C(=O)Cn2cc(C#N)c(O)nc2=O)C1 1466329558 SSHYTLZLJNKNQU-CQSZACIVSA-N 301.306 -0.027 30 20 DBED C#Cc1cncc(C(=O)NCC[C@H](C)NCc2nnnn2C)c1 1492080810 CQQGQCLFGCJBNR-NSHDSACASA-N 313.365 -0.115 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CCCN(C(=O)CS(C)(=O)=O)C1 1492196101 MHEZHRYPMIXJHC-UWVGGRQHSA-N 301.368 -0.702 30 20 DBED C=CCn1c([C@H](C)CO)nnc1N1CC[C@@H]2OCC(=O)N[C@H]2C1 1520497888 UDEQDHVMCNBTBN-WOPDTQHZSA-N 321.381 -0.346 30 20 DBED C=CCn1c(N2CCO[C@H](COC)C2)nnc1[C@]1(O)CCOC1 1520626860 DOOIVDNJPNSTJL-WFASDCNBSA-N 324.381 -0.076 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C(=O)[C@@H]1CC(=O)N(C)C1)C1CC1 1529853393 KODLLNZMKLYDMY-WDEREUQCSA-N 306.366 -0.268 30 20 DBED C#CCCCCNC(=O)C(=O)N1CCC([C@H](O)C(=O)O)CC1 1588442645 VMRAAMIDHCNLGP-LBPRGKRZSA-N 310.350 -0.410 30 20 DBED C#CCN1CCC[C@@H](NS(=O)(=O)[C@H]2C[C@@H](C(=O)O)C2)C1 1602720426 RQOPFTOCMIHYQC-UTUOFQBUSA-N 300.380 -0.133 30 20 DBED C[C@H](C#N)C(=O)NC/C=C\CNc1cnc(-c2nn[nH]n2)cn1 1602982966 CKBHHLWESVNEMS-PKRMOACSSA-N 313.325 -0.099 30 20 DBED C[C@H](NC(=O)CN1CCC(C#N)(C(=O)O)CC1)C(=O)N(C)C 1604274647 GPYWSFVWHQFDRB-JTQLQIEISA-N 310.354 -0.730 30 20 DBED C=CCn1c(O)nnc1SCCS(=O)(=O)CC(=O)O 1609636923 VURMCPHTWNHNMM-UHFFFAOYSA-N 307.353 -0.239 30 20 DBED C#CCNC(=O)CN[C@H](C)CNC(=O)[C@@H]1CCCCN(C)C1=O 1752913210 IOJVCYJCJHVQJL-OLZOCXBDSA-N 322.409 -0.911 30 20 DBED CC#CCNC[C@H](O)CNC(=O)c1cc([C@@H]2CCCN2C)[nH]n1 1753920406 USPGQHGCXOVBCJ-WFASDCNBSA-N 319.409 -0.120 30 20 DBED C#CCNC(=O)CNC[C@@H](C)NC(=O)C[C@@H](C)n1ccc(C)n1 1754237507 JHEPYLMSQLBYIU-ZIAGYGMSSA-N 319.409 -0.014 30 20 DBED Cn1ncnc1CN1C[C@H]2C[C@H]1[C@@H]2NC(=O)CSCC#N 1754420505 LLRFXUQCYDAZER-GBIKHYSHSA-N 306.395 -0.239 30 20 DBED C#CCNC[C@H](NC(=O)CN(C)C(=O)COC)C1CCCC1 1754648663 CCSVKHHQXKQNSA-AWEZNQCLSA-N 309.410 -0.011 30 20 DBED Cn1ccc(CN2CCOC[C@H]2CNC(=O)CSCC#N)n1 1754963145 AKCFUZQCQVQFOX-CYBMUJFWSA-N 323.422 -0.006 30 20 DBED C#CCN1CCC(CO)(NC(=O)c2ccc(C(N)=O)o2)CC1 1755178362 ABOGKJHPAMEAGQ-UHFFFAOYSA-N 305.334 -0.432 30 20 DBED C#CCCCC(=O)N1CC[C@]2(C1)CN([C@@H](C)C(N)=O)CCO2 1755400152 CUTRJFBISKZLOT-XJKSGUPXSA-N 307.394 -0.033 30 20 DBED CCC[C@@H](C(=O)N1C[C@@H](NCC#N)C(C)(C)C1)S(N)(=O)=O 1755760716 SLHLKJNHODBVLP-WDEREUQCSA-N 316.427 -0.206 30 20 DBED C=C(C)CNC[C@H](O)CN(C)C(=O)[C@H](C)N1C(=O)CCC1=O 1755780771 MDJOUTHZHDTMMY-RYUDHWBXSA-N 311.382 -0.491 30 20 DBED C=CCOCC(=O)N1C[C@H]2CC[C@H]1CN2C(=O)CC(=O)NC 1756163829 OVTSROXNBDYBCL-NEPJUHHUSA-N 309.366 -0.473 30 20 DBED C=C1CC(C)(C(=O)NC[C@@H](O)CN(C)C(=O)c2cnn(C)n2)C1 1756667990 AUZQNGVPMLYTCA-LLVKDONJSA-N 321.381 -0.280 30 20 DBED CN1CCO[C@@H](C(=O)N2CC[C@H]2CN(C)C(=O)C#CC2CC2)C1 1757288485 AUGLSIGVUMZDHK-LSDHHAIUSA-N 319.405 -0.210 30 20 DBED C=CCCC(=O)N1CC[C@@H](NC(=O)c2cnn(C)c2N)[C@H](O)C1 1757567344 QZGZWILIKMTRHX-VXGBXAGGSA-N 321.381 -0.340 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCC[C@@](O)(C(=O)O)C1 1776857416 GQMRQVZTFOMNRZ-PWSUYJOCSA-N 319.383 -0.376 30 20 DBED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)C(F)F)CCO2 1783561166 IMPPTOWTRNJTPJ-ZDUSSCGKSA-N 316.260 -0.831 30 20 DBED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(OC)OC)[C@H]2C1 1784291578 BJGXCDKYQKGFDC-SRVKXCTJSA-N 310.350 -0.782 30 20 DBED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCCO3)C[C@@H]21 1790793565 PBMSCUWIXFOGBS-XUXIUFHCSA-N 306.362 -0.222 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1[nH]cnc1C)C2 1800451740 BLTYFLGXBMYNKO-GNXNZQSNSA-N 302.334 -0.445 30 20 DBED C/C=C/C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1800462290 WXTCVNIDECBUBS-QPWQFZKUSA-N 306.318 -0.760 30 20 DBED COC[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC(=O)O 1801986685 WOPABCSUYQYKAU-FVCCEPFGSA-N 322.361 -0.005 30 20 DBED O=C(O)C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ncon1)C2 1801988379 AJZLTSUUYPOLJU-ILWJIGKKSA-N 318.289 -0.591 30 20 DBED C#CC(=O)N1CC2(CCCN2C(=O)[C@H](C)Cn2cncn2)C1 1844349897 VODGCUHNKTXZRC-GFCCVEGCSA-N 301.350 -0.249 30 20 DBED CC(C)(C)[C@@H](O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C#CC(=O)O 1847527499 RFWRIQOFBNODIU-MJVIPROJSA-N 322.361 -0.317 30 20 DBED Cn1c(NCCNc2ncccn2)c(C#N)c(=O)n(C)c1=O 47996264 QHHFAQVELRPNNM-UHFFFAOYSA-N 301.310 -0.730 30 20 DBED CN(C(=O)CN1CCN(CC(N)=O)CC1)C1(C#N)CCCCC1 54977833 LEGCISUGQMOTPQ-UHFFFAOYSA-N 321.425 -0.226 30 20 DBED N#Cc1cnn(C(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c1N 119477704 MCOZPBAOGJEINA-OSTYVCCYSA-N 311.301 -0.216 30 20 DBED COc1cc(C#N)ccc1CN1CCN2C(=O)C(=O)NC[C@@H]2C1 121239161 SVKWZSLSBMZBDW-CYBMUJFWSA-N 314.345 -0.291 30 20 DBED N#CCN1CCN(C(=O)Cn2nc3n(c2=O)CCCCC3)CC1 152713135 XRBMHKQSKJAJRZ-UHFFFAOYSA-N 318.381 -0.561 30 20 DBED C=CCN(CCOC)[C@H](C)C(=O)N[C@H]1CCS(=O)(=O)C1 191106552 ZODWJYKWBJBSNL-NEPJUHHUSA-N 304.412 -0.187 30 20 DBED CC(=O)NCCN([C@H](C)C(=O)O)S(=O)(=O)CCCCC#N 262485959 WPILIYSYNZEHEY-SNVBAGLBSA-N 319.383 -0.079 30 20 DBED N#CCN(CC#N)C(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 264179479 LITGOJYCXPENQG-CYBMUJFWSA-N 319.365 -0.957 30 20 DBED N#Cc1ccccc1OCC(=O)NCCN1C(=O)CNC1=O 264943215 IFUDGVFEFKJVIK-UHFFFAOYSA-N 302.290 -0.395 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@H](C)NC[C@H]2C)C1=O 272634744 WTKZCYCEJHRAHP-VHSXEESVSA-N 308.338 -0.828 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N[C@@H](C)CN1CCCC1=O 272882608 VXALTCCUFXJQJR-NSHDSACASA-N 317.411 -0.103 30 20 DBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC(C)(O)C1 277825046 WZRIVVPXKSYZOH-JTQLQIEISA-N 323.374 -0.182 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCC[C@H](C)C1 278464164 SHXZYODTRVAMAW-NSHDSACASA-N 302.396 -0.038 30 20 DBED C[C@H]1C(=O)N(C)S(=O)(=O)N1CC(=O)N[C@](C)(C#N)C1CC1 283201314 YJBJYZYKFVCLFZ-QPUJVOFHSA-N 314.367 -0.798 30 20 DBED CCn1nncc1C(=O)N(CCC#N)CCN1CCOCC1 293429323 NQJUABQGBYGFJA-UHFFFAOYSA-N 306.370 -0.014 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)CCn2ncn(C)c2=O)C1=O 293606787 LLSZDYQBFLITFL-LLVKDONJSA-N 307.354 -0.783 30 20 DBED C#CCCN1CCN(C(=O)[C@@H](CCSC)NC(N)=O)CC1 299325697 OCDHOFODNJASBW-GFCCVEGCSA-N 312.439 -0.056 30 20 DBED C[C@@H](C(=O)NC(C)(C)C)N(C)c1c(C#N)c(=O)n(C)c(=O)n1C 302519883 YRSSWQVYTLKZCB-VIFPVBQESA-N 321.381 -0.305 30 20 DBED CN1C[C@H](/N=C(/O)N2CCC3(CC2)N=C(O)N(C)C3=O)CC1=O 329375416 LILFOXIJIQZGKL-SECBINFHSA-N 323.353 -0.648 30 20 DBED C[C@H]1CS(=O)(=O)C[C@H]1/N=C(/O)N1C[C@H]2[C@@H](C1)OCCN2C 329675188 UHAIYKQKRZPBIV-WHOHXGKFSA-N 317.411 -0.652 30 20 DBED C[C@H](/N=C(/O)CN1CCN(S(C)(=O)=O)CC1)[C@@H]1CCOC1 329835164 LYTGXQFDUYDPJF-NWDGAFQWSA-N 319.427 -0.055 30 20 DBED CNS(=O)(=O)c1cc(/C(O)=N/[C@@H](C)C(=O)N(C)C)co1 330460176 QUFKQSQEHCCHPA-ZETCQYMHSA-N 303.340 -0.031 30 20 DBED CC/N=C(/O)NC(=O)[C@H](C)N1CCC[C@](O)(Cn2ccnn2)C1 330511799 BQAPIQVSSQITBN-SMDDNHRTSA-N 324.385 -0.456 30 20 DBED CNS(=O)(=O)C[C@H]1CCCN1[C@H](C)C(=O)N(C)CCC#N 331186462 UAHIPMJEQAEKAC-VXGBXAGGSA-N 316.427 -0.239 30 20 DBED CC[C@H]1CN(CCNC(=O)[C@H](C)n2cnc(C#N)n2)CCO1 337191763 XHAJBDSIGWVMRR-RYUDHWBXSA-N 306.370 -0.062 30 20 DBED CN(CC(=O)N1CCSC[C@@H]1C#N)[C@H]1CCS(=O)(=O)C1 342407390 KARIBQUJKSFSFT-QWRGUYRKSA-N 317.436 -0.427 30 20 DBED Cn1ccc2ccc(NC(=O)C(=O)NCC(=O)NCC#N)cc21 357285692 GVIBSGMOJRVWFK-UHFFFAOYSA-N 313.317 -0.127 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@@H]2CCC[C@]23NC(=O)NC3=O)c1 359525580 NDHRZUVNWSNRBG-XPTSAGLGSA-N 301.306 -0.006 30 20 DBED N#CC1(NC(=O)[C@@H]2CC[C@H](C(=O)N3CCOCC3)O2)CCC1 368006704 BHDZQPHCNIJUSM-NWDGAFQWSA-N 307.350 -0.045 30 20 DBED C=CCNC(=O)CNC(=O)Nc1ccn(C2CCN(C)CC2)n1 376049067 XYSHFYUYUJJWFV-UHFFFAOYSA-N 320.397 0.574 30 20 DBED N#CCCC[C@H](N)C(=O)NCCCn1nc2n(c1=O)CCCC2 424084691 ABHZLWCPPBUITG-LBPRGKRZSA-N 320.397 -0.091 30 20 DBED COCCn1cc(S(=O)(=O)Nc2nn(C)cc2C#N)cn1 439055629 JHHVOJWIYHNULQ-UHFFFAOYSA-N 310.339 -0.065 30 20 DBED CNS(=O)(=O)NCC(=O)N[C@@H](C#N)c1ccccc1F 448897758 SWAXEWVERARPQK-JTQLQIEISA-N 300.315 -0.440 30 20 DBED C=C(C)CCNC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 452725635 SPNQSFAXKBVGLR-UHFFFAOYSA-N 305.338 -0.484 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)CC2OCCO2)CC1 491525830 VREQMDDGJDXCCC-UHFFFAOYSA-N 309.366 -0.967 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)CCc2cccnc2)CC1 491665117 KESADKCCMWERBC-UHFFFAOYSA-N 314.389 -0.092 30 20 DBED C=CCN(C(=O)CNC(=O)C1CC1)[C@@H]1CCS(=O)(=O)C1 516699202 QGJSWBFNAYETJU-LLVKDONJSA-N 300.380 -0.286 30 20 DBED CS(=O)(=O)N1CCC[C@H](C(=O)N2CC(O)(CC#N)C2)C1 529067306 FMOMRHLMMUHUHE-JTQLQIEISA-N 301.368 -0.855 30 20 DBED CN(C)C[C@H](O)CNCCS(=O)(=O)c1ccc(C#N)cn1 571642756 SPDMITLTTNDCCU-GFCCVEGCSA-N 312.395 -0.761 30 20 DBED CN(C)c1nc(O)cc(C(=O)N2CCN(C(=O)CC#N)CC2)n1 572495355 NSHQUNDOXPHVJE-UHFFFAOYSA-N 318.337 -0.554 30 20 DBED C[C@@H](C#N)CN(C)C(=O)C(=O)N1CCN(C[C@H]2CCCO2)CC1 590974761 OYIXQSLFISVVKO-UONOGXRCSA-N 322.409 -0.072 30 20 DBED CN1C(=O)N[C@]2(CCC[C@H]2CN=c2nc[nH]cc2C#N)C1=O 591918052 IZTFFNAAGJVAJI-HZMBPMFUSA-N 300.322 -0.097 30 20 DBED COC(=O)[C@H]1C[C@@H](O)CN(Cc2cnc3c(C#N)cnn3c2)C1 592528751 BAKGGZKAOPEFOR-WCQYABFASA-N 315.333 -0.043 30 20 DBED C[C@H](O)CN(C(=O)C(=O)N1CCN(CCC#N)CC1)C1CC1 601502610 RDQYECYLSSOYHF-LBPRGKRZSA-N 308.382 -0.584 30 20 DBED C[C@H](C#N)CNC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 609523649 GQYXXBSDLFEIOX-SECBINFHSA-N 318.337 -0.900 30 20 DBED C[C@@H](CC#N)NC(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 610291421 XCVJJCZMUGSNOM-YQPPGCHHSA-N 305.334 -0.043 30 20 DBED C=CCNC(=O)NC(=O)CN(C)[C@@H](COCC)C(=O)OC 611208840 SUBHHZRLCSISBK-JTQLQIEISA-N 301.343 -0.492 30 20 DBED C=CCOC[C@@H](NC(=O)c1cc(C(=O)OC)no1)C(=O)OC 619511600 DESHOWBYRLLBJE-SECBINFHSA-N 312.278 -0.065 30 20 DBED CC#CC[C@H](CO)NC(=O)CCCN1C(=O)NC(C)(C)C1=O 649192422 HMJXWDJTHVVGNU-LLVKDONJSA-N 309.366 -0.013 30 20 DBED COC(=O)C[C@@H]1CCCN1C(=O)C(=O)Nc1cnn(CC#N)c1 746455957 VPNFIGUKZHTWOW-NSHDSACASA-N 319.321 -0.101 30 20 DBED C#CCNC(=O)COC(=O)c1cc(C)c(C)c(S(N)(=O)=O)c1 749724420 GVVSJWSOGDTDLK-UHFFFAOYSA-N 324.358 -0.143 30 20 DBED C#CCNC(=O)COC(=O)c1coc(S(=O)(=O)N(C)C)c1 756288031 KUUWWAINSSCLCJ-UHFFFAOYSA-N 314.319 -0.564 30 20 DBED CCN(C[C@H](C)C#N)C(=O)COC(=O)[C@@H](C)NS(C)(=O)=O 758488859 VXBNBADCSSBQPY-NXEZZACHSA-N 319.383 -0.525 30 20 DBED COCCN1C[C@H](C(=O)[C@@H](C#N)C(=O)c2nccn2C)CC1=O 770730444 NGXMUYLYISLWSM-GHMZBOCLSA-N 318.333 -0.193 30 20 DBED C[C@H]1CN=C(NN=Cc2cnc(N3CCN(C)CC3)nc2)N1 779797398 GMYQILGYMDQBFT-NSHDSACASA-N 302.386 -0.500 30 20 DBED Nc1ccc(C=NNC(=S)NCCN2CCOCC2)cn1 807947395 TYYMOQOQCLIIKJ-UHFFFAOYSA-N 308.411 -0.206 30 20 DBED C#CCNS(=O)(=O)N1CCN(Cc2ccncc2F)CC1 820370801 PQCIIGPFXDUFRS-UHFFFAOYSA-N 312.370 -0.194 30 20 DBED C#CCN(CC(=O)NCc1nc(O)n[nH]1)C(=O)OC(C)(C)C 829546180 GHPFQDDEASUJOH-UHFFFAOYSA-N 309.326 -0.003 30 20 DBED C#CC1CCN(CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 830334014 UBEVDDMEFJIQPO-UHFFFAOYSA-N 315.377 -0.221 30 20 DBED N#CCCN(CCC#N)C(=O)CN1CCC(O)(C(=O)O)CC1 833760395 PRBOAICAFWJEHO-UHFFFAOYSA-N 308.338 -0.446 30 20 DBED C[C@@H]1CN(C(=O)C(=O)NCCNc2ncccc2C#N)CCN1 842174574 HLZNZXVHUBGDHS-LLVKDONJSA-N 316.365 -0.698 30 20 DBED C=C[C@H](C)ONC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 846551384 SFEDGJRVMPQAAV-STQMWFEESA-N 311.382 -0.211 30 20 DBED C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N[C@H]1C=CCC1 852904539 LYZLJHNVOTYHRX-QWRGUYRKSA-N 321.424 -0.154 30 20 DBED C=CCS(=O)(=O)NC(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1 860631660 ZNIODVCWHYFTNR-SECBINFHSA-N 312.351 -0.595 30 20 DBED C#CCN(C)CCCNC(=O)N[C@H]1CS(=O)(=O)C[C@H]1C 884377622 PWNYPIKRBDEWTA-NEPJUHHUSA-N 301.412 -0.326 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)c1cccc(OCC(N)=O)c1 913320075 REZLARGNLSDPKL-JTQLQIEISA-N 304.302 -0.155 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2cn(C)c(=O)nc2O)[C@H](C)C1 944904956 AGTGNFPRLWFZDN-YPMHNXCESA-N 318.377 -0.051 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(NC(=O)CN2CCOCC2=O)CC1 948106533 RIPJMYPWNLKRLN-NSHDSACASA-N 322.365 -0.888 30 20 DBED N#Cc1ccc(C(=O)NC[C@H]2CCN2C(=O)Cn2cncn2)[nH]1 949452321 IPFLXEMSGRJSCR-LLVKDONJSA-N 313.321 -0.491 30 20 DBED N#CCN1CCOC2(CCN(C(=O)CCc3cnn[nH]3)CC2)C1 949474791 MXGMQGIYJKPLKF-UHFFFAOYSA-N 318.381 -0.046 30 20 DBED CC(C)N1CCO[C@@H](C(=O)N(C)C2CN(C(=O)[C@@H](C)C#N)C2)C1 955078840 OHJULTSAKUBNOG-GXTWGEPZSA-N 322.409 -0.076 30 20 DBED C=CCn1cccc1C(=O)N[C@@]1(C)CCN(C(=O)C(N)=O)C1 957133752 WRMATHGCULUJHN-HNNXBMFYSA-N 304.350 -0.120 30 20 DBED C=CCN1C[C@@H](O)[C@H](CNC(=O)c2cnc3[nH]c(O)nc3c2)C1 958195612 HVGJLBZSKINULA-ZYHUDNBSSA-N 317.349 -0.128 30 20 DBED CC#CCN1C[C@H](CNC(=O)c2ccnc3[nH]nnc23)[C@@H](O)C1 958248570 KVVLKYGAYLYJOK-JQWIXIFHSA-N 314.349 -0.601 30 20 DBED N#CCN1C[C@H](O)[C@H](CNC(=O)c2cc3n(n2)CCCO3)C1 958252691 CEUZLCRTZMFSOT-PWSUYJOCSA-N 305.338 -0.788 30 20 DBED C#CCCN1C[C@H](O)[C@H](CNC(=O)C2CCN(C(N)=O)CC2)C1 958657729 NFZQOYJKHVCUGD-KGLIPLIRSA-N 322.409 -0.791 30 20 DBED C=C(Cl)CN1C[C@H]2[C@H](NC(=O)Cn3ncn(C)c3=O)[C@H]2C1 960645396 GLARUFIHTMQQJW-IAZYJMLFSA-N 311.773 -0.619 30 20 DBED Cc1nccc(C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2O)n1 963735133 KUZQUMKZNJEOJF-KGLIPLIRSA-N 314.345 -0.500 30 20 DBED C[C@H](C#N)C(=O)N1CC2(C[C@H](NC(=O)c3csnn3)CO2)C1 965746870 BVSGAIPJPBYUSO-BDAKNGLRSA-N 321.362 -0.203 30 20 DBED C=CCCN1CC[C@H](C)[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 966171056 ZPLVXHWHQJTUPB-RYUDHWBXSA-N 320.397 -0.220 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC2(CCN(C(=O)CC(N)=O)CC2)C1 967702203 ODLFMUNZAHRDNS-NSHDSACASA-N 322.365 -0.759 30 20 DBED CCN1CCO[C@H](C(=O)N(CC)C2CN(C(=O)[C@@H](C)C#N)C2)C1 968018219 ZGHIHJPJRMVCOA-JSGCOSHPSA-N 322.409 -0.074 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)[C@H]3COCCN3C)C2)C1 972347918 CNXIZCBLFXNNFC-ZBFHGGJFSA-N 307.394 -0.747 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@H](C)N2C(=O)CCC2=O)C(C)(C)C1 974637636 ZWMNGHYFYBMWPP-NWDGAFQWSA-N 305.378 -0.016 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)[C@@]3(C)CCNC3=O)[C@H]2C1 977191922 VZPXWSMIMPOYRG-GPMNSPGJSA-N 304.350 -0.755 30 20 DBED N#CCN1CCCN(C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)CC1 981639077 FPRMSXUEIBGBIU-OLZOCXBDSA-N 308.382 -0.143 30 20 DBED C=CCN1CCCC2(C1)CN(C(=O)Cn1cnc(C(N)=O)n1)C2 981781254 XPXJEMCDWUHDGK-UHFFFAOYSA-N 318.381 -0.513 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)Cn3ncnn3)C[C@]2(C)C1 992944476 RPYWOCQNKIHVAF-UHIISALHSA-N 317.353 -0.860 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)c2cnnc(O)c2)C1 994038236 BKYPGWVOQRMRSU-NEPJUHHUSA-N 318.333 -0.286 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)[C@H]2CCc3nncn3CC2)C1 997010586 FMPJNHLTCJIYLX-QWRGUYRKSA-N 316.365 -0.283 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2nnn(C)n2)CC[C@@H]1C(F)(F)F 998276004 KYMKDWDKOOUQBE-DTWKUNHWSA-N 316.287 -0.174 30 20 DBED C=C1CC(C)(C(=O)N2CC([C@@H](C)NC(=O)[C@H]3CNC(=O)N3)C2)C1 1006744671 GIDKRZDKSLZKGN-ZYHUDNBSSA-N 320.393 -0.013 30 20 DBED C#CCCN1CCC[C@H](NC(=O)[C@@H]2CCN(C)S2(=O)=O)C1 1008840539 NGGZFIHUZWGIFZ-STQMWFEESA-N 313.423 -0.376 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@H](CNC(=O)c3cnc(O)n3C)[C@H]2C1 1009333758 FTCOWZMTBAJMDU-DBIOUOCHSA-N 317.349 -0.280 30 20 DBED O=C1NCC[C@H]1CC(=O)N1CCN(C(=O)C#CC2CC2)CC1 1011110212 PTNFXFQRMPVULT-ZDUSSCGKSA-N 303.362 -0.403 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C(=O)CCN2CCCC2=O)CC1 1011171375 AEWQXBHZXXCUKW-GFCCVEGCSA-N 306.366 -0.171 30 20 DBED CN1CC[C@H](C(=O)N2[C@H]3CC[C@H]2CN(CC#N)C3)S1(=O)=O 1018051427 GPCCPNPRFWBXLN-SDDRHHMPSA-N 312.395 -0.781 30 20 DBED C=C(C)CN1CCC[C@H](CNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 1023622109 WYGRGPNFTPKLJD-NEPJUHHUSA-N 308.382 -0.011 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCNC2=O)C1 1024073666 WGRAUXWOFGNPBY-QJPTWQEYSA-N 323.393 -0.587 30 20 DBED N#CCN1[C@H]2CC[C@H]1CN(C(=O)Cc1nc3ncccn3n1)C2 1029582328 ODLXNCMWDLAAEY-RYUDHWBXSA-N 311.349 -0.134 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)c3cccc(O)n3)C2)C1=O 1030183242 OEGZTYLRKRQCHA-ZDUSSCGKSA-N 316.361 -0.012 30 20 DBED C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)CC[C@@H]1NC(=O)NC1=O 1032772530 SPNZIUSTCPHELC-SRVKXCTJSA-N 304.350 -0.717 30 20 DBED C=CCCn1cc(C(=O)N(C)[C@H]2CCN([C@@H](C)C(N)=O)C2)nn1 1033484261 PYVIYQRGSCKVHP-RYUDHWBXSA-N 320.397 -0.126 30 20 DBED CCC(=O)N1CCC[C@H](C(=O)NC[C@@H]2CN(CC#N)CCO2)C1 1035374230 CIZAICCAIOCRFG-UONOGXRCSA-N 322.409 -0.024 30 20 DBED C#CCCN1CCO[C@H](CNC(=O)[C@@H]2CCCN(C(N)=O)C2)C1 1035434316 DYLWHYAFBHBGLY-ZIAGYGMSSA-N 322.409 -0.383 30 20 DBED Cn1nccc1[C@@H]1C[C@H]1C(=O)NC[C@@H]1CN(CC#N)CCO1 1035461106 UCMXCMDWHCYPAF-JHJVBQTASA-N 303.366 -0.136 30 20 DBED C=CCN1CCO[C@@H](CNC(=O)c2nccnc2C(N)=O)C1 1035603792 VPVPDGCJSZGVTL-JTQLQIEISA-N 305.338 -0.808 30 20 DBED C=C(Cl)CN1C[C@H]2C[C@H]1[C@H]2NC(=O)c1nnc(O)nc1O 1037489346 OCDMVNBCMBQGQZ-CSMHCCOUSA-N 311.729 -0.162 30 20 DBED CC[C@@H]1CN(C(=O)CN2CCC(=O)NC2=O)CC[C@H]1NCC#N 1037949980 XFUYQUDIYJETGC-VXGBXAGGSA-N 321.381 -0.331 30 20 DBED CN1CC[C@H](N2CC[C@@H]2CNC(=O)c2c[nH]c(C#N)c2)C1=O 1038169855 WRBTWJAAFRRWCR-OLZOCXBDSA-N 301.350 -0.079 30 20 DBED C#CCCN1CC[C@@H]1CNC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 1038255792 OVEIJQHHNAGUAA-QWHCGFSZSA-N 315.377 -0.024 30 20 DBED C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@@H](C(N)=O)O1 1039436199 ZPEQMVGITPLFCM-ZOBORPQBSA-N 305.378 -0.282 30 20 DBED C=CCCC(=O)N1CC[C@@](O)(CNC(=O)[C@H]2COC(=O)N2)C1 1039603038 SPUBVZBVZTYCDP-QMTHXVAHSA-N 311.338 -0.859 30 20 DBED C[C@@H]1CN(C(=O)C(N)=O)CC[C@H]1CNc1cnc(C#N)cn1 1040441691 KRAFOWGIXAEUHH-ZJUUUORDSA-N 302.338 -0.270 30 20 DBED Cn1nc(C(=O)N2CC[C@@]3(CCN(CC#N)C3)C2)ccc1=O 1041817864 NLTSFAOMKSDXBK-OAHLLOKOSA-N 301.350 -0.158 30 20 DBED C#CCN1CC[C@]2(CCN(C(=O)[C@@H]3COCCN3C(C)=O)C2)C1 1041839613 OWDALGZBQAOUFA-RDJZCZTQSA-N 319.405 -0.209 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)COCCC)C1 1041865034 GSQNTEGINPJMMX-LBPRGKRZSA-N 314.382 -0.306 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)C(=O)N2CC[C@@H](C)C2)C1 1041960780 VGFAOZQABUUKHE-GFCCVEGCSA-N 323.393 -0.490 30 20 DBED C[C@@](O)(CC(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1)C1CC1 1042627548 NCRJQPOVZBURQM-MRXNPFEDSA-N 320.389 -0.360 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(O)CN(C(=O)C#CC(C)C)C1 1042807215 QBAKMLUGCRSFFU-HNNXBMFYSA-N 308.378 -0.338 30 20 DBED CCn1cnc(C(=O)N2CC(O)(CNC(=O)C#CC3CC3)C2)c1 1042958291 IULPUVFDMHAFGC-UHFFFAOYSA-N 316.361 -0.381 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)C2(C3CC3)CC2)C1 1043042720 VCFQEUFGAXZLFQ-GFCCVEGCSA-N 320.389 -0.096 30 20 DBED Cc1cc(N2C[C@H](O)[C@H](NC(=O)[C@@H]3CCOC3)C2)c(C#N)cn1 1043866712 IZPYTUVGDMEDJF-KYOSRNDESA-N 316.361 -0.036 30 20 DBED C#CCN1CCC(C(=O)N(C)C2CN([C@@H](C)C(=O)NC)C2)CC1 1044334983 CVJBBQNDECFSKU-ZDUSSCGKSA-N 320.437 -0.391 30 20 DBED C=C(C)CCC(=O)N1CC(O)(CNC(=O)[C@@]2(C)CCNC2=O)C1 1046644655 VVXHVNCFMIDQNG-HNNXBMFYSA-N 323.393 -0.442 30 20 DBED C=CCN1C[C@H]2C[C@@H](NC(=O)CN3C(=O)CNC3=O)C[C@H]1C2 1047197758 KOBYHYWLGJBYDP-QJPTWQEYSA-N 306.366 -0.307 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cn3c(n2)COCC3)C1 1047427898 MTTVSSJYNAFSIH-KBPBESRZSA-N 318.377 -0.446 30 20 DBED CNC(=O)CCCC(=O)N(C)[C@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1O 1048718819 YRILVNOEURJKRX-WOPDTQHZSA-N 324.381 -0.908 30 20 DBED C#CCO[C@H](C)C(=O)N(C)[C@H]1CN(C(=O)[C@@H]2C[C@H]2C)C[C@@H]1O 1048844278 GLROPCLWDOBVFW-POQQGIQPSA-N 308.378 -0.289 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCc2cn[nH]c2)C1 1048912708 MRVYQQUHEZFEOC-WXHSDQCUSA-N 319.365 -0.468 30 20 DBED C=C(C)CN1C[C@H]2CN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C[C@H]2C1 1049084030 DBBVNDYEPANKGS-TUAOUCFPSA-N 306.366 -0.449 30 20 DBED CC#CCN1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1CC(=O)NC(=O)N1 1049751206 CLPBHIDKJCJWMV-XQQFMLRXSA-N 318.377 -0.327 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)c1cn(CCC=C)nn1 1051155851 KKTAJNPFDUKOCW-ZDUSSCGKSA-N 303.366 -0.082 30 20 DBED N#Cc1nccc(N2CC[C@H](NC(=O)c3cc[nH]n3)[C@H](O)C2)n1 1051610305 ACYHTLJAGHSOAM-GXSJLCMTSA-N 313.321 -0.559 30 20 DBED N#Cc1nccc(N2CC[C@H](NC(=O)c3cnco3)[C@H](O)C2)n1 1051756724 ZSTIHTNDMSRVBE-VHSXEESVSA-N 314.305 -0.294 30 20 DBED C=CCCN1CCN([C@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)C2)CC1 1052072754 BVWSLQFHHDYXLQ-KBPBESRZSA-N 321.425 -0.538 30 20 DBED C#CCN1CC2(C1)CN(C(=O)[C@@H]1CCC(=O)N1C(C)C)CCO2 1053391985 LANNHRWQINKBJF-AWEZNQCLSA-N 319.405 -0.068 30 20 DBED N#CCN1CC2(C1)CN(C(=O)[C@@H]1CCC[C@@H](C(N)=O)C1)CCO2 1053452928 JHEVDYJIWADGIL-CHWSQXEVSA-N 320.393 -0.285 30 20 DBED C#CCN1CC2(CC[C@@H](CNC(=O)C3CS(=O)(=O)C3)O2)C1 1053604898 SFHPGAOGWXOCKH-LBPRGKRZSA-N 312.391 -0.986 30 20 DBED C#CCN1CC2(CC[C@@H](CNC(=O)c3ccc(=O)n(C)c3)O2)C1 1053622383 VPIIFEVUDOBRBH-AWEZNQCLSA-N 315.373 -0.018 30 20 DBED CC#CCN1CC2(CC[C@H](CNC(=O)[C@H]3CCC(=O)N3C)O2)C1 1053649853 YLOGEOVSHIAUOC-ZIAGYGMSSA-N 319.405 -0.020 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)c3cccnc3C(N)=O)CO2)C1 1054012692 GRIIZALPPPFAOD-SNVBAGLBSA-N 315.333 -0.723 30 20 DBED C=CCOCC(=O)N[C@@]1(CO)CCCN(C(=O)[C@@H](C)OC)C1 1055832179 VKXMRKXMXZHZBA-DOMZBBRYSA-N 314.382 -0.306 30 20 DBED CN1C[C@@H](C(=O)N2CCN(c3nccnc3C#N)CC2)CC1=O 1056056839 FIAWTSRVZJDGNS-NSHDSACASA-N 314.349 -0.525 30 20 DBED N#Cc1nccc(N2C[C@@H]3C(NC(=O)[C@H]4C[C@H]4C(N)=O)[C@H]3C2)n1 1056407558 VDPOFLJRTYTCIF-KATARQTJSA-N 312.333 -0.980 30 20 DBED C[C@@]1(C(=O)N2CC[C@@H](N=c3cc[nH]cc3C#N)C2)CNC(=O)C1 1056739073 ZYXCZZSLIYUEKB-WBMJQRKESA-N 313.361 -0.086 30 20 DBED C#CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)c1ccco1 1056812533 GPOSBWZPCQDMFH-LBPRGKRZSA-N 308.334 -0.131 30 20 DBED C#CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)[C@@H]1CCCO1 1056895820 IEHMIUJGHYTVGY-STQMWFEESA-N 312.366 -0.859 30 20 DBED CN(c1ccnc(C#N)n1)[C@H]1CCN(C(=O)Cn2ncnn2)C1 1056967782 KAHVCWYQRZLCSO-JTQLQIEISA-N 313.325 -0.928 30 20 DBED CN(c1cnc(C#N)cn1)[C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 1057017511 CPHKMWFCGNTORS-WDEREUQCSA-N 315.337 -0.933 30 20 DBED Cc1[nH]nc(C(=O)N(CCO)CCNC(=O)C#CC2CC2)c1O 1057354063 LOCMMQAWPCJSDN-UHFFFAOYSA-N 320.349 -0.612 30 20 DBED CC(=O)N[C@H](C)C(=O)NCCN(CCO)C(=O)C#CC(C)C 1057517333 QPVVSOJHAHRRNP-GFCCVEGCSA-N 311.382 -0.893 30 20 DBED N#Cc1nccnc1N1CCC(NC(=O)Cn2nccn2)CC1 1057906341 WBOZRDFDPZVZHG-UHFFFAOYSA-N 312.337 -0.275 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)C1(C(=O)NC)CC1 1058077451 YSAXLEQNJGWGAR-UHFFFAOYSA-N 323.393 -0.747 30 20 DBED N#Cc1cccnc1N1CCC[C@@H](NC(=O)Cn2cnnn2)C1 1058118740 OSHLYJDBFKZTFI-GFCCVEGCSA-N 312.337 -0.275 30 20 DBED COc1cnc(C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N)nc1 1058207963 CLVOSVIOPMYBEY-JTQLQIEISA-N 321.337 -0.804 30 20 DBED N#Cc1cncc(N2CCC[C@H](NC(=O)[C@@H]3CCNC3=O)C2)n1 1058221159 WNWFTPRWUQOHPC-CMPLNLGQSA-N 314.349 -0.431 30 20 DBED Cc1cnn(C)c1C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N 1058427409 NQBFOFBTMNNOMI-JTQLQIEISA-N 307.354 -0.561 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)c1cn2c(n1)CCC2 1058661464 XCHULCGOBIZTFG-LLVKDONJSA-N 319.365 -0.460 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)[C@H]1CCN(C)[C@@H](C)C1 1058663082 HSMOWGWORFXZFV-IHRRRGAJSA-N 324.425 -0.187 30 20 DBED N#Cc1ccc(NC[C@H]2CCN(C(=O)Cn3ncnn3)C2)cn1 1060927235 KRCVDLHSPXUUCM-LLVKDONJSA-N 312.337 -0.100 30 20 DBED C#CCCCC(=O)N1CCOC[C@H]1CNC(=O)[C@@H]1CCNC1=O 1061747964 CSGDXIRBDZXVFS-CHWSQXEVSA-N 321.377 -0.730 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](CN(C)c2nccn3nnnc23)C1 1062095519 AAEPJNKHTAZYHO-WDEREUQCSA-N 314.353 -0.036 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)CN2CCOCC2)CCC1 1062821192 NDORPGFWQDLTNM-LBPRGKRZSA-N 308.382 -0.367 30 20 DBED C=CCOCC(=O)NC1(CNC(=O)CNC(=O)NC)CCC1 1063332351 QLTQHAZOXOLCGU-UHFFFAOYSA-N 312.370 -0.727 30 20 DBED N#Cc1cnc(N2CCO[C@H](CNC(=O)[C@H]3CCCO3)C2)cn1 1063605258 GDXMTMVNMFKEQB-CHWSQXEVSA-N 317.349 -0.151 30 20 DBED N#Cc1cnc(N2CCO[C@H](CNC(=O)c3cocn3)C2)cn1 1063618701 FAXSNGZUQIFMBW-LLVKDONJSA-N 314.305 -0.029 30 20 DBED C[C@H]1CCCN(C(=O)C(N)=O)[C@H]1CNc1cncc(C#N)n1 1063957821 YENWKIUKHKLNET-ONGXEEELSA-N 302.338 -0.127 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)[C@@H]2CCC(=O)NC2)CCC1 1064310678 ONLYLFUJSFGDDF-GHMZBOCLSA-N 306.366 -0.173 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CN(C(=O)c2cnns2)CCO1 1064907112 IGJRSLIRUASYBF-BDAKNGLRSA-N 309.351 -0.345 30 20 DBED Cn1nnc(C(=O)N2CCC[C@H]2CNc2cncc(C#N)n2)n1 1064989928 XMJQGVOSXNYXFR-JTQLQIEISA-N 313.325 -0.412 30 20 DBED O=C(Cn1nccn1)NC[C@H]1CN(C(=O)C#CC2CC2)CCO1 1065136517 DMDATTNDJOEDLM-ZDUSSCGKSA-N 317.349 -0.965 30 20 DBED CN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CN(c2ncccn2)C[C@@H]1O 1065581145 ZJTPQETYJZJLKY-STQMWFEESA-N 312.333 -0.002 30 20 DBED Cc1cc(C#N)nc(N2CCC[C@@H](N(C)C(=O)C(N)=O)CC2)n1 1067607620 FDUAWRMUMWLDFO-GFCCVEGCSA-N 316.365 -0.041 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCCN(C)C(=O)C[C@@H]1NC(=O)NC1=O 1067709001 ZVYVSVCRCLABAS-UWVGGRQHSA-N 323.353 -0.949 30 20 DBED C[C@@H](Nc1ccc(C#N)nn1)[C@@H]1CN(C(=O)CC(N)=O)CCO1 1068227984 SCLXANWYDXAQAP-KOLCDFICSA-N 318.337 -0.749 30 20 DBED C=CCOCC(=O)NC[C@H]1CCC2(CN(C(=O)COC)C2)O1 1068539790 SAODVLMBPBGRDW-GFCCVEGCSA-N 312.366 -0.288 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)CNC(N)=O)C1 1070407002 REMVLZJBTHVCFA-UTUOFQBUSA-N 324.381 -0.647 30 20 DBED C=CCOCC(=O)N1CCC[C@@H](NC(=O)CNC(=O)NC)C1 1070554142 IJVSDLIMPCVFHQ-LLVKDONJSA-N 312.370 -0.775 30 20 DBED C#CCCN1CCNC(=O)CCN(C(=O)Cn2cccn2)CC1 1070939346 GSVWJKSNMXXVEV-UHFFFAOYSA-N 317.393 -0.443 30 20 DBED C=C(C)CN1CCNC(=O)CCN(C(=O)Cn2nccn2)CC1 1070968084 NIBFYGXZYQXEAZ-UHFFFAOYSA-N 320.397 -0.495 30 20 DBED Cc1nc(C)c(C(=O)N2CCC(=O)NCCN(CC#N)CC2)[nH]1 1071000132 PNXITCMCPDYJDG-UHFFFAOYSA-N 318.381 -0.186 30 20 DBED N#CCN1CCNC(=O)CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 1071002862 HVMFOVCBOYUURG-MCIONIFRSA-N 320.393 -0.272 30 20 DBED CC#CCN1CCNC(=O)CCN(C(=O)[C@@H]2CCN(C)C2)CC1 1071020534 ICGGJCXKFNRIDP-OAHLLOKOSA-N 320.437 -0.388 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(C(=O)CNC(N)=O)C[C@@H]1C 1071581242 HIHVMROGWOIJRD-WDEREUQCSA-N 312.370 -0.790 30 20 DBED C=CCCOCC(=O)N1C[C@H](C)[C@@H](NC(=O)Cc2nc[nH]n2)C1 1072336330 KDYWWUYJMAGGDW-RYUDHWBXSA-N 321.381 -0.097 30 20 DBED C#CCCN1CCCO[C@@H](CNC(=O)[C@@H]2CC(=O)N(C)C2)C1 1073630222 PUILCKQIQGNQKU-KGLIPLIRSA-N 307.394 -0.305 30 20 DBED CC#CCN1CCCO[C@@H](CNC(=O)c2cc(C(N)=O)c[nH]2)C1 1073830264 HXOXQHMEEZOXHK-ZDUSSCGKSA-N 318.377 -0.042 30 20 DBED C=CCCC(=O)N1CC[C@H](NC(=O)Cn2ncnn2)[C@@H](C)C1 1073976784 GOQLJIJNGAEHCP-RYUDHWBXSA-N 306.370 -0.008 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(O)(CNC(=O)c2cnsn2)CC1 1074705652 WIAJLCCZKATYFP-VIFPVBQESA-N 323.378 -0.219 30 20 DBED C#CCOCCC(=O)N[C@@H](C)CCNC(=O)CCn1cncn1 1075641906 GMACBEHSUXVEOM-ZDUSSCGKSA-N 321.381 -0.281 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)Cc2n[nH]c3c2CCCC3)C1 1076999283 LSDDQNPAGOECKK-ZIAGYGMSSA-N 303.366 -0.484 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3nc[nH]c3C2)C1 1077962732 RPBOFTZUHFBDAZ-KCPJHIHWSA-N 302.378 -0.301 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2cccc(-n3ccnn3)c2)C1 1078281096 MLBOBRMMDIAAPU-ZIAGYGMSSA-N 312.333 -0.434 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC(=O)NC2=O)C1 1078289159 GDEAWHUQQGNQTQ-QJPTWQEYSA-N 309.366 -0.833 30 20 DBED C#CCN[C@H]1C[C@H]2CC[C@H]1N(C(=O)CN1CCNC(=O)C1)C2 1079013471 ZIIYBWJWJNCTJF-HZSPNIEDSA-N 304.394 -0.980 30 20 DBED CCN(C(=O)C#CC(C)C)C1CN(C(=O)[C@@H]2CNC(=O)N2)C1 1079730478 YCNBTHVABFFEMT-LBPRGKRZSA-N 306.366 -0.614 30 20 DBED CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)CN2CCCC2=O)C1 1080411034 CWQUWCSLBRYHDQ-LLVKDONJSA-N 306.366 -0.172 30 20 DBED C=CCN1C[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)[C@H](C)C1 1080774355 NGWUHTMNBYPKFW-MWLCHTKSSA-N 302.338 -0.346 30 20 DBED C[C@@H](C#N)C(=O)NC1(CO)CCN(C(=O)c2ccnn2C)CC1 1080979839 BZPDVOXEZZSUKL-NSHDSACASA-N 319.365 -0.337 30 20 DBED C[C@H](C#N)C(=O)NC1(CO)CCN(C(=O)c2cocn2)CC1 1080980347 QXKHMJASLXLLRW-SNVBAGLBSA-N 306.322 -0.082 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)Cc2nc[nH]n2)C[C@@H]1O 1081441794 MRCXPTYGXFNGDB-NEPJUHHUSA-N 319.365 -0.914 30 20 DBED CC(C)(C)C#CC(=O)NC[C@@H]1CN(C(=O)c2cnon2)C[C@H]1O 1081476666 JTFALRYURNNYLS-ZYHUDNBSSA-N 320.349 -0.332 30 20 DBED CC#CCN1C[C@@H](NC(=O)c2ccc(C(N)=O)o2)[C@H](OC)C1 1081923269 AJGHPSMCJBORBM-ZWNOBZJWSA-N 305.334 -0.169 30 20 DBED C=CCN1C[C@@H](NC(=O)[C@H]2CCc3nnnn3CC2)[C@H](OC)C1 1082154703 SOMNCJJXZDGFLD-YNEHKIRRSA-N 320.397 -0.373 30 20 DBED C=CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H](C)S(C)(=O)=O 1083121917 KHWUFBXBCLLFHU-SDDRHHMPSA-N 302.396 -0.483 30 20 DBED CN1C(=O)CC[C@H]1CC(=O)N1CCO[C@@H]2CN(CC#N)C[C@@H]21 1083161399 AQMKTWSWDHGLTF-RWMBFGLXSA-N 306.366 -0.568 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)c2cnn3c2OCCC3)C1 1083605294 QHTYMLZXEFZCNN-OLZOCXBDSA-N 304.350 -0.536 30 20 DBED Cn1nnc2c1C[C@@H](C(=O)N1C[C@H]3CCN(CC#N)C[C@H]31)CC2 1084611613 WNVUVUWRIKKFRL-YWPYICTPSA-N 314.393 -0.024 30 20 DBED CC#CCN1CC[C@@H]2CN(C(=O)CN3C(=O)CNC3=O)[C@@H]2C1 1084817925 ASNXINLXKOSQQL-VXGBXAGGSA-N 304.350 -0.906 30 20 DBED CC#CCN1CC[C@H]1CN(C)C(=O)[C@@H]1CCN(C)S1(=O)=O 1085868483 QPEGTGJOWFGJAF-STQMWFEESA-N 313.423 -0.424 30 20 DBED CNC(=O)CC(=O)N[C@H]1CC[C@H](C)N(c2ccc(C#N)nn2)C1 1089129898 SJUVFUOPSQNPMB-JQWIXIFHSA-N 316.365 -0.042 30 20 DBED Cc1[nH]nc2ncc(C(=O)N[C@@H]3CCN(CC#N)C[C@H]3O)cc12 1090818395 VFFHJLVIGLNVPB-CHWSQXEVSA-N 314.349 -0.045 30 20 DBED C[C@@]12CN(CC#N)C[C@@H]1CN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)C2 1092007970 PYFHMOOQAMZCBK-ZAZJYDDPSA-N 306.366 -0.677 30 20 DBED CC(C)(O)CC(=O)N[C@@H]1CCN(c2cnc(C#N)cn2)C[C@@H]1O 1092146946 YIKBJROOWMOHLO-NEPJUHHUSA-N 319.365 -0.435 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(c2cnc(F)cn2)C[C@H]1O 1092153940 PBBZIPINTRCMCL-GHMZBOCLSA-N 310.329 -0.126 30 20 DBED COCC(=O)NC[C@@]1(C)CN(c2nccnc2C#N)CCO1 1092719348 MXXNMXKDCUUERY-AWEZNQCLSA-N 305.338 -0.294 30 20 DBED N#Cc1ccc(N2C[C@@H]3CCC[C@]3(NC(=O)CC(N)=O)C2)nn1 1093073563 JNEFJFQFOVIDLD-BONVTDFDSA-N 314.349 -0.301 30 20 DBED N#Cc1nccnc1N1C[C@@H]2CCC[C@]2(NC(=O)CC(N)=O)C1 1093073682 OOOKMBHGDAXCIL-BONVTDFDSA-N 314.349 -0.301 30 20 DBED CN1CCOC[C@@H]1C(=O)N1CCC(OC2CN(CC#N)C2)CC1 1093528055 BORMDPWJKHVOJO-OAHLLOKOSA-N 322.409 -0.468 30 20 DBED N#Cc1ccc(NCCNC(=O)CC[C@H]2NC(=O)NC2=O)nc1 1093624378 HEZZBOQSAPPARP-SNVBAGLBSA-N 316.321 -0.530 30 20 DBED C#CCN1CCN(C(=O)[C@H](CC)OC)[C@@H]2CS(=O)(=O)C[C@@H]21 1094614398 FCRZYJLBFBTDPY-XQQFMLRXSA-N 314.407 -0.646 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)C[C@H]3CCCO3)CC2=O)C1 1094708849 GTOSTBUROMLCKE-TZMCWYRMSA-N 305.378 -0.410 30 20 DBED C=C(C)CN1CC(N2C[C@H](NC(=O)[C@H]3COC(=O)N3)CC2=O)C1 1094730336 YHBCZUCONQETAU-ZYHUDNBSSA-N 322.365 -0.928 30 20 DBED Cc1nnccc1C(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1 1094753513 MKTQPMDQASPJGY-LLVKDONJSA-N 314.349 -0.677 30 20 DBED C=C(C)CN1CC(N2C[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)CC2=O)C1 1094786788 BGYOKFLEUPADPT-UHTWSYAYSA-N 320.393 -0.915 30 20 DBED C#CCN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1nc(C)n(C)c1=O)C2 1095048255 ZSBINMZGDJJJHY-IHRRRGAJSA-N 317.393 -0.507 30 20 DBED Cc1nc(N(C)[C@H]2CCN(C(=O)CNC(N)=O)C2)ccc1C#N 1095091155 CVUAAGOEEVGGJX-LBPRGKRZSA-N 316.365 -0.033 30 20 DBED Cc1cc(C#N)nc(N2CCCN(C(=O)CNC(N)=O)CC2)n1 1095164091 JSLQKGVSCVXURP-UHFFFAOYSA-N 317.353 -0.636 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN1CCC(=O)NC1=O 1096293131 ALSHOIIQMJAGDC-WOPDTQHZSA-N 304.350 -0.717 30 20 DBED C#CCCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN1CC(=O)N(C)C1=O 1096334227 CSZRDIOEUNIACO-AGIUHOORSA-N 318.377 -0.375 30 20 DBED CCC(=O)NCC(=O)N[C@H]1C[C@H](N=c2cc[nH]c(C#N)n2)C1 1097002053 RSLDENAGPRVZNC-MGCOHNPYSA-N 302.338 -0.645 30 20 DBED N#Cc1nc(=N[C@H]2C[C@@H](NC(=O)CCn3ccnn3)C2)cc[nH]1 1097175750 MXCQIMKPZZZWJY-PHIMTYICSA-N 312.337 -0.489 30 20 DBED C[C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)N=c1cc[nH]cc1C#N 1098264855 VUGQZYXFNDBNJQ-TVYUQYBPSA-N 317.349 -0.675 30 20 DBED C[C@H](CNC(=O)c1ccn(C)c(=O)c1)N=c1cc[nH]c(C#N)n1 1098387764 KCGSSLXJUWMOKD-SNVBAGLBSA-N 312.333 -0.301 30 20 DBED CNC(=O)CN1C[C@@H](NC(=O)[C@@H](C)C#N)CC2(CCOCC2)C1 1099572268 TYSSTFVHVSASIM-STQMWFEESA-N 322.409 -0.121 30 20 DBED N#CCNC(=O)CN1CC[C@@H](NC(=O)C2=CCCC2)[C@H](O)C1 1099780718 LXQVJBJODARDEV-CHWSQXEVSA-N 306.366 -0.712 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2cncn2C)[C@@H](O)C1 1099907678 ZPLLDDQLQBFVIS-OCCSQVGLSA-N 306.366 -0.765 30 20 DBED CN(CCNC(=O)[C@H]1CCS(=O)(=O)C1)c1nccnc1C#N 1100227467 WDRFVZHGSOINNN-JTQLQIEISA-N 323.378 -0.665 30 20 DBED CN1CC[C@H](C(=O)NCCN(C)c2ncccc2C#N)C1=O 1100273214 KKFGTZBORUBHPE-GFCCVEGCSA-N 301.350 -0.016 30 20 DBED CCN(CCNC(=O)CNC(=O)OC)c1ccnc(C#N)n1 1100451429 LJHIMOWAEKHKPM-UHFFFAOYSA-N 306.326 -0.353 30 20 DBED CN(CCNc1cnc(C#N)cn1)C(=O)[C@@]1(C)CCNC1=O 1101959118 GOPANSMSYGRECZ-AWEZNQCLSA-N 302.338 -0.255 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@@H]1CN(CC(N)=O)C[C@H]1C 1102438852 GKRCKPWXKPMOSC-BNOWGMLFSA-N 324.425 -0.373 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CCN(c2nccn3nnnc23)C1 1102701946 LHKAYDUXYWSCLP-UWVGGRQHSA-N 300.326 -0.284 30 20 DBED CC[C@@H](CNC(=O)[C@H]1CN(C)CCO1)Nc1cnc(C#N)cn1 1103031067 QNFYFKZRUKWJAK-WCQYABFASA-N 318.381 -0.014 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)C[C@@H]1CCC(=O)N1 1104012239 CYDWLSYJGZAPLO-MNOVXSKESA-N 316.365 -0.397 30 20 DBED C#CCNC(=O)CC(=O)N(C)[C@@H](C)CNc1cncc(C#N)n1 1104531903 ZNBFQJRJXQFYQI-NSHDSACASA-N 314.349 -0.253 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNc1nc(O)c2cnn(C)c2n1 1105774933 XLFZXPCRVARDHP-YUMQZZPRSA-N 319.325 -0.882 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H](O)CNC(=O)C1=CCOCC1 1105802320 KXTVPUHJDIGSCD-CYBMUJFWSA-N 302.334 -0.389 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H](O)CNC(=O)Cc1cncnc1 1105805698 HGSMKSQROXFPPV-CYBMUJFWSA-N 312.333 -0.703 30 20 DBED COCC[C@@H](C)C(=O)NC[C@@H](O)CNc1cncc(C#N)n1 1105860424 VYVARCUGSQLKAL-PWSUYJOCSA-N 307.354 -0.090 30 20 DBED C=CCOCCNC[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)C[C@H]1C 1106604639 UEZXUGOAHAECPK-UPJWGTAASA-N 310.398 -0.446 30 20 DBED CC#CCN1CCO[C@](C)(CNC(=O)c2cnn(C)c2N)C1 1107888227 LJJMMPLHTYNZTP-OAHLLOKOSA-N 305.382 -0.154 30 20 DBED C#CCNC(=O)CN1CCO[C@@](C)(CNC(=O)C#CC(C)C)C1 1107926525 JEAOUNNRHFSADF-KRWDZBQOSA-N 319.405 -0.398 30 20 DBED C[C@H](CNc1nccnc1C#N)NC(=O)[C@H]1CCC(=O)N1C 1108060841 OOBRINWRCATQHA-MWLCHTKSSA-N 302.338 -0.114 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)[C@H](CC)OCC)CC2=O)C1 1108513464 KRFMWLAABTXPIN-JSGCOSHPSA-N 307.394 -0.164 30 20 DBED C#CCCN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1c(O)nnc1O)C2 1108809676 GGWJIMKCMDPVNE-TUAOUCFPSA-N 319.365 -0.318 30 20 DBED COC(=O)NCC(=O)N[C@@H](C)CN(C)c1nc(C)cc(C#N)n1 1108833087 YUWNAQBVSSWQFJ-JTQLQIEISA-N 320.353 -0.046 30 20 DBED N#Cc1nc(=NC[C@@H](NC(=O)[C@H]2CCC(=O)N2)C2CC2)cc[nH]1 1109794422 XSUHTKYITDAYCM-GHMZBOCLSA-N 314.349 -0.645 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H](NC(=O)CCNC(N)=O)C1CC1 1109850131 ODLQRODIPXETEP-ZDUSSCGKSA-N 316.365 -0.260 30 20 DBED CSCC(=O)NC[C@]1(O)CCN(c2cncc(C#N)n2)C1 1111032080 RWHSLKZFRYWCFE-CYBMUJFWSA-N 307.379 -0.231 30 20 DBED N#Cc1nc(=NCCN(CCO)C(=O)c2cnns2)cc[nH]1 1111425351 FZGXPNMSHVJEDF-UHFFFAOYSA-N 319.350 -0.832 30 20 DBED N#Cc1nc(=NCCN(CCO)C(=O)C[C@@H]2CCCO2)cc[nH]1 1111432230 FFXHGLYYMZXYPC-LBPRGKRZSA-N 319.365 -0.428 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCC[C@]2(NC(=O)COCC=C)C1 1111658728 NDPHFORGQHVBIT-YOEHRIQHSA-N 319.405 -0.091 30 20 DBED COC[C@@H](C)C(=O)NC[C@@H]1COCCN1c1ccc(C#N)nn1 1111665861 QKZNQICIOWLFTG-DGCLKSJQSA-N 319.365 -0.048 30 20 DBED C=CCOCC(=O)N1CCN(CCNS(=O)(=O)CC)CC1 1112703867 ICRXVPXGUWGWCW-UHFFFAOYSA-N 319.427 -0.728 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCN(C[C@@H](O)Cn2cccn2)CC1 1112805034 ZXJUDNYBFVYZLW-GDBMZVCRSA-N 322.409 -0.285 30 20 DBED CNC(=O)NCCC(=O)N[C@H](C)[C@H](C)Nc1ccc(C#N)nn1 1113002225 TXCYLKUGOKJOOC-VHSXEESVSA-N 319.369 -0.028 30 20 DBED C[C@H](CNC(=O)COCCN(C)C)N(C)c1ccnc(C#N)n1 1113659327 SMMWRZZPJRKHFK-GFCCVEGCSA-N 320.397 -0.133 30 20 DBED N#CCN1C[C@H]2[C@H](NC(=O)CCCN3C(=O)CCC3=O)[C@H]2C1 1114371732 JWAUDKLBFSLMQG-HBYGRHMLSA-N 304.350 -0.514 30 20 DBED N#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)Cc3cscn3)[C@H]2C1 1114932674 KGTKTZIRRXPEFN-YABSGUDNSA-N 319.390 -0.628 30 20 DBED C=CCCCN1C[C@H]2[C@H](NC(=O)C[C@H](NC(C)=O)C(N)=O)[C@H]2C1 1114933392 VBNVENWGLAVBLM-SFDCQRBFSA-N 322.409 -0.621 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]32)cn1 1115139639 HAOPFPDDZHBJHR-FOLVSLTJSA-N 323.356 -0.637 30 20 DBED CCN(C)C(=O)CNC(=O)NCCN/C(O)=C1\N=CC=CC1=O 1116655160 OZSVVARSDQMJIP-OUKQBFOZSA-N 323.353 -0.710 30 20 DBED C#CCCCNC(=O)C(=O)N1CCC([C@H](O)C(=O)OC)CC1 1117382985 XANFYTSLLRASCG-LBPRGKRZSA-N 310.350 -0.712 30 20 DBED C[C@@H](CN(C)C(=O)[C@H]1CN(C)C(=O)N1)Nc1nccnc1C#N 1120408571 NVRQWKGCVVYTIG-GXSJLCMTSA-N 317.353 -0.369 30 20 DBED C#CCN(C(=O)C(=O)N1C[C@@H](O)C[C@@H](C(=O)OC)C1)C(C)C 1120497697 KEDGQOZZZAJIPX-NEPJUHHUSA-N 310.350 -0.761 30 20 DBED Cn1cc(C(=O)NC[C@@H](CO)Nc2nccnc2C#N)cn1 1121024338 JYHONJZCVLXRLW-JTQLQIEISA-N 301.310 -0.715 30 20 DBED C=CCn1c(Cc2n[nH]c(C)n2)nnc1N1CCN(C)C(=O)C1 1121551322 AWMQMSKNANFRNE-UHFFFAOYSA-N 316.369 -0.240 30 20 DBED COCCOCCC(=O)NC[C@@H](CO)Nc1ccc(C#N)nn1 1121697990 DJHHJVMGYRHWEA-LBPRGKRZSA-N 323.353 -0.710 30 20 DBED COCCO[C@H](C)C(=O)NC[C@H](CO)Nc1cncc(C#N)n1 1122012137 GUOUXRLDFCZJSD-ZYHUDNBSSA-N 323.353 -0.711 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)c1cnccn1 1122826892 MNEKIWIDDFHACO-UHFFFAOYSA-N 304.354 -0.442 30 20 DBED Cc1cc(C#N)nc(N[C@H]2C[C@H](C)N(C(=O)CNC(N)=O)C2)n1 1123145923 HWNOUIBJVPEHOE-ONGXEEELSA-N 317.353 -0.274 30 20 DBED C[C@H]1[C@@H](NC(=O)CC(N)=O)CCCN1c1nccnc1C#N 1123523281 SOQCPLYXKMKGJQ-UWVGGRQHSA-N 302.338 -0.303 30 20 DBED Cc1nc(NC[C@H](O)CN(C)C(=O)CC(N)=O)ccc1C#N 1124201651 WFIVNPPFFNXGCZ-NSHDSACASA-N 305.338 -0.632 30 20 DBED C=CCCO[C@H](C)C(=O)NCCNCCN1C(=O)CCC1=O 1124495231 NSUXBKGEYHGYDS-GFCCVEGCSA-N 311.382 -0.178 30 20 DBED CO[C@H](C)C(=O)N(C)C[C@@H](O)CN(C)c1cnc(C#N)cn1 1124956124 AVMZICNWLHKOSN-PWSUYJOCSA-N 307.354 -0.361 30 20 DBED C#CCN1CCn2ncc(CNC(=O)Cc3cncnc3)c2C1 1128341691 JXOIIROTRLXRIC-UHFFFAOYSA-N 310.361 -0.019 30 20 DBED C#CCC1(C(=O)NCCNCC(=O)N(C)CC)CCOCC1 1129117141 UEPWTMLXBATTBK-UHFFFAOYSA-N 309.410 -0.009 30 20 DBED CO[C@@H](C)C(=O)NCc1nc([C@H]2COCCN2CC#N)n[nH]1 1130835036 JDSWRJMNBSWFQL-VHSXEESVSA-N 308.342 -0.647 30 20 DBED C[C@H]1CN(C(=O)CCNC(N)=O)C[C@@]2(CCN(CC#N)C2)O1 1131697910 STIAATPMIDZGPZ-FZMZJTMJSA-N 309.370 -0.740 30 20 DBED C[C@H]1CC[C@H](NC(=O)C2=CCOCC2)CN1CC(=O)NCC#N 1131981431 WHKOLOZXBPIWRC-JSGCOSHPSA-N 320.393 -0.058 30 20 DBED C=CCOCCN[C@@H](C)C[C@@H](C)NC(=O)CNC(=O)NC 1134525054 VQPDIWOIDZRTTN-NWDGAFQWSA-N 300.403 -0.009 30 20 DBED C=C(C)CN(CC)C(=O)[C@@H](C)NCCNC(=O)c1cnn(C)n1 1135286908 NUGPRYZRTMMZHY-GFCCVEGCSA-N 322.413 -0.052 30 20 DBED C=CCC[C@H](C)NCCNC(=O)[C@H](C)NC(=O)Cn1cnnn1 1147051979 ZKRNBTTUFALKEB-RYUDHWBXSA-N 323.401 -0.762 30 20 DBED CC(C)(C)OCC(=O)N1CC2(CCN(CC(=O)NCC#N)C2)C1 1147368754 KCWWVPHANBDKQT-UHFFFAOYSA-N 322.409 -0.024 30 20 DBED C#CCCN1CCCO[C@@H](CNC(=O)C[C@H](C)NC(N)=O)C1 1149721741 QLYUESLIKVNPPC-STQMWFEESA-N 310.398 -0.336 30 20 DBED N#Cc1ccc(F)c(CNCCNC(=O)CCNC(N)=O)c1 1150424254 OPCUZALGKWGQOZ-UHFFFAOYSA-N 307.329 -0.038 30 20 DBED C#CCO[C@@H](C)C(=O)NCCCNCc1noc(CCOC)n1 1157874322 NTZOALTTZAOAIF-LBPRGKRZSA-N 324.381 -0.107 30 20 DBED CN1C(=O)CN(CC(=O)NCCC2=CCN(CC#N)CC2)C1=O 1161689211 YNZANHRSSYWYPA-UHFFFAOYSA-N 319.365 -0.458 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)C[C@@H]1CCN(C)C1 1171226667 JCHDTTJAONNQQP-KBPBESRZSA-N 308.426 -0.438 30 20 DBED C=CCOCCNCCCNC(=O)Cn1nc(C)n(C)c1=O 1175018415 LLOWWEZLNQTLOO-UHFFFAOYSA-N 311.386 -0.811 30 20 DBED C#CCNC(=O)CNCCCNC(=O)COC[C@H]1CCCO1 1177478789 ZJYVNDBGIKJHAV-CYBMUJFWSA-N 311.382 -0.973 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2[nH]c(O)nc2C)[C@H]1C 1178948327 HBNKPTUSCMPUMM-QWRGUYRKSA-N 319.365 -0.634 30 20 DBED C#CCCN[C@H]1CCN(C(=O)CS(=O)(=O)CCOC)[C@H]1C 1179009832 SCFFZCXPYLWCSO-STQMWFEESA-N 316.423 -0.350 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)c2ccn(C)n2)[C@H]1C 1180128645 YJKYSRZCGIVUBY-AVGNSLFASA-N 317.393 -0.249 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1 1181609549 RDYAVAYIYABMLA-IJLUTSLNSA-N 308.382 -0.854 30 20 DBED C#CCNC(=O)CNC[C@@H]1CCN(C(=O)CC(C)(C)O)C[C@@H]1C 1184275028 VZFIWKNJCMCGFK-KBPBESRZSA-N 323.437 -0.029 30 20 DBED C[C@@H]1CN(C(=O)COCc2nncn2C)CC[C@H]1CNCC#N 1185423695 OAPVOSXNKQBYFB-OLZOCXBDSA-N 320.397 -0.071 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2ncccn2)C1 1186513035 VGSUGZYNTLTLCD-NWDGAFQWSA-N 303.366 -0.029 30 20 DBED CC#CCN[C@@H]1CCN(C(=O)Cn2nc3n(c2=O)CCCC3)C1 1186861993 LKWALDRUJJRMTI-CYBMUJFWSA-N 317.393 -0.405 30 20 DBED C=CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3cnns3)[C@@H]2C1 1186993975 LFTPOEOXAZRCMT-WDEREUQCSA-N 321.406 -0.013 30 20 DBED CC#CCN(C)[C@H]1CCN(C(=O)[C@H](C)NS(C)(=O)=O)C1 1192550640 JWBRWHIEEJIMIQ-RYUDHWBXSA-N 301.412 -0.520 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)CCc2cnn(C)n2)C1 1196235503 WQUFPBZZVHFUPM-ZIAGYGMSSA-N 307.398 -0.125 30 20 DBED COCC#CCN1CCCN(C(=O)[C@@H]2CC[C@H]2C(N)=O)CC1 1196724078 APWLGVBOVKBJNL-ZIAGYGMSSA-N 307.394 -0.318 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)Cc2ccco2)C1 1197066951 KRKWMBFEZBJFLY-CHWSQXEVSA-N 307.350 -0.714 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN([C@@H](C)C(=O)N(C)C)C[C@H]1O 1199308459 VVKLIKRGJQOIRH-YNEHKIRRSA-N 313.398 -0.783 30 20 DBED C#CCNC[C@@H]1CN(C(=O)c2ccc(OC)nn2)CCCO1 1201784598 NFJQBNFIFXISJW-GFCCVEGCSA-N 304.350 -0.061 30 20 DBED C=C(C)CN(CC)C(=O)[C@H](C)NC1CCN(C(=O)C(N)=O)CC1 1202273267 NAODNEWLZAWTLO-LBPRGKRZSA-N 324.425 -0.135 30 20 DBED CN(C)S(=O)(=O)CCC(=O)N1CCC(NCC#N)CC1 1203847497 SANYOMXLDCVZLO-UHFFFAOYSA-N 302.400 -0.628 30 20 DBED CC(C)OCC(=O)N1CCC(CNCC(=O)NCC#N)CC1 1204686544 OEZPWGXTPWOOQW-UHFFFAOYSA-N 310.398 -0.121 30 20 DBED CO[C@H](C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C)C1CC1 1206925599 GYOYDCZVBQKLLK-QKCSRTOESA-N 308.382 -0.512 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCN(C(=O)CCn2cccn2)C1 1207344086 RVHFQMWFTLDSOW-CYBMUJFWSA-N 318.381 -0.506 30 20 DBED COCC#CCN[C@@H]1CCCN(C(=O)[C@@H]2CCNC(=O)C2)C1 1207789980 PIXHGRNCZOKYHP-ZIAGYGMSSA-N 307.394 -0.257 30 20 DBED C#CCOCCC(=O)N1CCC[C@@H](NCCN2CCNC2=O)C1 1208025321 LNKYZQAMDAHNIT-CQSZACIVSA-N 322.409 -0.368 30 20 DBED COCC#CCN[C@@H]1CCCN(C(=O)C[C@@H]2CCNC2=O)C1 1208325600 SYRSUFDSPSDCAY-UONOGXRCSA-N 307.394 -0.257 30 20 DBED C#CCN[C@@H]1CCCN(C(=O)CS(=O)(=O)NC(C)(C)C)C1 1211133970 YDGDJWJWWUQINK-GFCCVEGCSA-N 315.439 -0.082 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)C2(CF)CC2)[C@H](OC)C1 1213425544 FVIDTAQOCYURAA-VXGBXAGGSA-N 311.357 -0.699 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)c2nccc(C)n2)C[C@H]1C 1214535228 LJSBNIMGXWIQNC-DGCLKSJQSA-N 315.377 -0.415 30 20 DBED C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1NCC(=O)NCC#N 1214847350 CBGFECBFEINCSE-CHWSQXEVSA-N 321.425 -0.453 30 20 DBED C=CCCO[C@H](C)C(=O)N1CCO[C@@H]2CN(CC(N)=O)C[C@@H]21 1217476029 QRYYAQNSUVJWQX-FRRDWIJNSA-N 311.382 -0.636 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(CCc2ccnn2C)C[C@@H]1O 1219363686 FDMVYJZFJNJUEM-KGLIPLIRSA-N 308.382 -0.674 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)Cc2ccoc2)C1 1219505849 OQGKWCAMYNKAGF-YUTCNCBUSA-N 321.377 -0.326 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H](C)C(C)(F)F)C1 1220380340 ZIELRTIWECZVHV-MXWKQRLJSA-N 317.336 -0.812 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2c[nH]cc2C)C1 1220976051 HHYWKDTYNVDSAR-OLZOCXBDSA-N 306.366 -0.600 30 20 DBED C=CCNC(=O)CN1CC[C@@H]2CN(C(=O)[C@H](O)C(C)C)[C@@H]2C1 1221519670 BBWHXGIYBZSOSH-UMVBOHGHSA-N 309.410 -0.162 30 20 DBED CNC(=O)NC(=O)[C@H](C)N1CCC(NC(=O)[C@@H](C)C#N)CC1 1226647824 DQGRDVMQUJAKID-UWVGGRQHSA-N 309.370 -0.429 30 20 DBED N#CCNC(=O)CN1CCC(NC(=O)CCc2cnc[nH]2)CC1 1227705715 KQMDGIGFYIHPCE-UHFFFAOYSA-N 318.381 -0.437 30 20 DBED O=C(NCCN/C(O)=C1\N=CC=CC1=O)NC[C@@H](O)C1CC1 1318421145 IJMDEOZTNZTGJQ-GXZRWPEMSA-N 308.338 -0.417 30 20 DBED N#CCCN(CC1CC1)C(=O)C(=O)Nc1cnn(CC(N)=O)c1 1320575483 DLKSPBYWAZWDHS-UHFFFAOYSA-N 318.337 -0.541 30 20 DBED C=CCN1C(=O)C(=O)N(Cc2nc(COCCOC)no2)C1=O 1323916320 PYSKVPZSQTZDNX-UHFFFAOYSA-N 324.293 -0.291 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)NCCCO[C@@H]1CCOC1 1324070502 KKUMTJHJUGFPTG-CQSZACIVSA-N 306.362 -0.217 30 20 DBED COC[C@H](NC(=O)C(=O)N1CC[C@](O)(CC#N)C1)c1ccco1 1328286211 MSHXLLIXJJVFSU-XHDPSFHLSA-N 321.333 -0.040 30 20 DBED C=CCN(C(=O)C(=O)N1C[C@H](C)O[C@H](C(=O)OC)C1)C1CC1 1329703476 KHOGVRYPUHLRSY-JQWIXIFHSA-N 310.350 -0.048 30 20 DBED COCC#CC(=O)N1CCN(S(=O)(=O)NC(C)C)CC1 1334437609 WFQWNWLUTIPZII-UHFFFAOYSA-N 303.384 -0.977 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@@H]1COCC[C@H]1OC)[C@@H]1CCCO1 1334906472 GGTIAPABBXYWRV-LOWDOPEQSA-N 310.350 -0.797 30 20 DBED C[C@@H]1CC(=O)NCCN1C(=O)CCN/C(O)=C1/N=CC=CC1=O 1339789522 PFAMOXRKALXIQM-ZEIZSXSISA-N 320.349 -0.360 30 20 DBED COCCN(C)CCNC(=O)C(=O)NCC#Cc1ccccc1 1340320457 HKGQSQOXCYEXEM-UHFFFAOYSA-N 317.389 -0.151 30 20 DBED CCN(C(=O)C(=O)Nc1ccc(C#N)cn1)[C@H]1CCNC1=O 1343926858 IVRFVTZYFSKZCM-JTQLQIEISA-N 301.306 -0.371 30 20 DBED CC(=O)c1ccc(NC(=O)C(=O)NCC(=O)NCC#N)cc1C 1346617128 JSLHNLHJHDLTGZ-UHFFFAOYSA-N 316.317 -0.108 30 20 DBED CO[C@H](CNC(=O)CCn1cc(C#N)c(O)nc1=O)C(C)C 1362179026 PGNACXQENUIGAY-LLVKDONJSA-N 308.338 -0.002 30 20 DBED C[C@H]1CCN(CC(=O)NCCn2cc(C#N)c(O)nc2=O)C1 1363285479 GCEWTXRZCVYLRQ-JTQLQIEISA-N 305.338 -0.721 30 20 DBED CCOCC1(C(=O)NCCn2cc(C#N)c(O)nc2=O)CC1 1363288392 QORNFRMGQKWMET-UHFFFAOYSA-N 306.322 -0.247 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@](C)(CO)C(=O)OC 1363936965 MCVZSELBHVIJSK-GXSJLCMTSA-N 307.372 -0.774 30 20 DBED N#Cc1cn(CCNC(=O)Cc2ccccc2O)c(=O)nc1O 1364110574 XIEXUIKLIXMWFO-UHFFFAOYSA-N 314.301 -0.115 30 20 DBED N#CCOc1ccc(CN2CCN(CC(N)=O)C(=O)C2)cc1 1365306438 WGIGMAANGYGRMR-UHFFFAOYSA-N 302.334 -0.282 30 20 DBED N#Cc1cccc(CN2CC[C@H]2CNC(=O)Cn2ncnn2)c1 1375312891 XKOBVNYZAVPUSE-AWEZNQCLSA-N 311.349 -0.065 30 20 DBED C=C(Br)CNC[C@@H](O)CNC(=O)[C@H](C)NC(C)=O 1379160207 IDMRYTLQYSFWJV-WCBMZHEXSA-N 322.203 -0.514 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNCC(=O)N(C)c1ccccc1 1379192129 VZKIRJGRHNMXGN-TZMCWYRMSA-N 318.377 -0.124 30 20 DBED COCCN(CCNC(=O)[C@H](C)n1cncn1)C(=O)[C@H](C)C#N 1396154860 BIRQXKHGZLDIHY-NEPJUHHUSA-N 322.369 -0.410 30 20 DBED COCc1cncc(C(=O)NC[C@@H](O)CNC(=O)[C@H](C)C#N)c1 1399873244 UNJXNYYTHCHUAH-MFKMUULPSA-N 320.349 -0.405 30 20 DBED CCCNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)c1cc(C#N)c[nH]1 1401498507 CVHDULSMMWMBIK-PWSUYJOCSA-N 321.381 -0.519 30 20 DBED N#Cc1ccc(CN2CC(CNC(=O)Cn3ncnn3)C2)cc1 1404876632 VDFSQJICMBWRER-UHFFFAOYSA-N 311.349 -0.207 30 20 DBED CCCC[C@@H](NC(N)=O)C(=O)NC1CN(C(=O)[C@@H](C)C#N)C1 1409071536 VREBULFZUKKNMA-GXSJLCMTSA-N 309.370 -0.300 30 20 DBED CN(Cc1cccc(O)n1)C(=O)Cn1cc(C#N)c(O)nc1=O 1413648586 QRMSPLABESPYGN-UHFFFAOYSA-N 315.289 -0.420 30 20 DBED CCOC(=O)C[C@H]1CCCN1c1[nH]c(=O)n(C)c(=O)c1C#N 1413884636 FGVFZCJJTWCECH-SECBINFHSA-N 306.322 -0.133 30 20 DBED C=C(Cl)CNC[C@H](O)CNC(=O)c1cc(OC)n(C)n1 1420149663 FRCSFVWOFLIHQN-VIFPVBQESA-N 302.762 -0.139 30 20 DBED COC1(CNC(=O)NCCn2cc(C#N)c(O)nc2=O)CCC1 1434812980 LTJUMUUBHVXPSD-UHFFFAOYSA-N 321.337 -0.311 30 20 DBED CCNC(=O)NC(=O)[C@H](C)N[C@H]1C[C@H](NC(=O)[C@H](C)C#N)C1 1436892262 ZADGPLQTGYTEDH-LMLFDSFASA-N 309.370 -0.383 30 20 DBED C=C(Cl)CN[C@H]1CN(C(=O)CS(=O)(=O)NC)C[C@H]1C 1440596010 GSUCQBQGLCVZEM-SCZZXKLOSA-N 309.819 -0.275 30 20 DBED CCN(CCNC(=O)c1cn(C)nn1)C(=O)c1ccc(C#N)[nH]1 1449371088 KDBKMZHGSGPWFO-UHFFFAOYSA-N 315.337 -0.093 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1cnn(CCF)c1 1452372763 BTCLLCMWLXMEAM-MWLCHTKSSA-N 311.317 -0.781 30 20 DBED C[C@H](NS(=O)(=O)N1CCO[C@@H](C#N)C1)c1nccc(N)n1 1464233126 QQWOZXHUXSAEAL-IUCAKERBSA-N 312.355 -0.821 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(Cc2ncnn2CCF)C1 1484263886 GQUXSPNCLCOICT-JTQLQIEISA-N 310.333 -0.930 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCN[C@H]1CCN(c2cnn(C)c2)C1=O 1493500915 QQCKVHWPBGETPP-AAEUAGOBSA-N 318.381 -0.267 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@@H](O)CNC(=O)[C@H]2CCCOC2)c1 1501455467 ANFQLKSRJSTQFS-RYUDHWBXSA-N 320.349 -0.480 30 20 DBED CN(CCNC(=O)c1cc(C#N)c[nH]1)C(=O)[C@@H]1CC[C@@H]1C(N)=O 1528019508 XRKMYWSIEBBCMV-WDEREUQCSA-N 317.349 -0.414 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C)C(=O)Cc1nc(C2CC2)nn1C 1528597501 SXUICSJLUMOOLS-JTQLQIEISA-N 318.381 -0.031 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@H](NC(=O)c2cc(CC)[nH]n2)C1 1566655277 IDYZYRLXRRAOJF-AAEUAGOBSA-N 317.393 -0.086 30 20 DBED C#CCNC(=O)CN1CC[C@H](CNC(=O)[C@H](CC)N(C)C)C1 1567415936 RATAENSFACXQGW-KGLIPLIRSA-N 308.426 -0.486 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)Cc2cnn(CC)c2)C1 1567899483 URMYDKMMIPYXEO-CQSZACIVSA-N 319.409 -0.062 30 20 DBED Cn1cc(C(=O)N2CCC(C#N)(C(=O)O)CC2)c(O)nc1=O 1571092867 XFLPDLXEZWJNTL-UHFFFAOYSA-N 306.278 -0.684 30 20 DBED C[C@H](CN(C)C(=O)NCCN/C(O)=C1\N=CC=CC1=O)C(=O)O 1573586515 DUXRMBNYDHTDEQ-JFJDQEMCSA-N 324.337 -0.125 30 20 DBED C#CC[C@@]1(C(=O)N[C@@H](C)c2nnc3c(=O)[nH]ccn23)CCCN1 1574517049 KNHUCLBQTVRDPX-BONVTDFDSA-N 314.349 -0.260 30 20 DBED COC(=O)[C@@H]1CCN(c2cnc(C#N)c(-c3nn[nH]n3)n2)[C@@H]1C 1579442303 DOYMQXHNCINBCO-HTQZYQBOSA-N 314.309 -0.084 30 20 DBED O=C(C#CC1CC1)N[C@H]1CCN(c2nccnc2-c2nn[nH]n2)C1 1581912802 ZICLLFXHWOHEQG-NSHDSACASA-N 324.348 -0.235 30 20 DBED C#CC[C@@H](NS(=O)(=O)c1ccc2[nH]c(=O)cnc2c1)C(=O)O 1588428751 ZZZFBVZQIPXYJL-SNVBAGLBSA-N 321.314 -0.322 30 20 DBED C=C(C)CN(C)C(=O)C(=O)N1CC[C@H](n2cc(C(=O)O)nn2)C1 1588561581 NWPQOCQEFRXGRC-JTQLQIEISA-N 321.337 -0.216 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)OCC2(CC(=O)O)CC2)C1=O 1588832742 WVHTUQIANILCAS-UHFFFAOYSA-N 324.289 -0.239 30 20 DBED C=CCOC[C@@H](NC(=O)[C@@H]1CC[C@H](C(=O)OC)O1)C(=O)O 1588856329 GXWKSBVNMJDWNE-KXUCPTDWSA-N 301.295 -0.521 30 20 DBED CC(C)c1nnc(Cn2c(=O)c(C#N)cn(CC(=O)O)c2=O)o1 1588976702 QDYGLFWGZMODSM-UHFFFAOYSA-N 319.277 -0.479 30 20 DBED C[C@H]1CN(CCn2c(N)nc(C#N)c2-c2nn[nH]n2)CCO1 1590308652 NRGWIIVFLFNPQE-QMMMGPOBSA-N 303.330 -0.762 30 20 DBED CCOC(=O)[C@H](CC)C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[nH]1 1590750539 BEAOBDGWYMATHT-ZCFIWIBFSA-N 318.297 -0.011 30 20 DBED COC(=O)C1(C)CN(c2cnc(-c3nn[nH]n3)c(C#N)n2)C1 1591244129 KJIXUIYLHFTCAH-UHFFFAOYSA-N 300.282 -0.472 30 20 DBED CN(CC(C)(C)CNCC(=O)NCC#N)C(=O)[C@H]1C[C@@H]1C(=O)O 1598423554 HTYYQMSTZAXZED-QWRGUYRKSA-N 324.381 -0.579 30 20 DBED C=C(Cn1cnc2c(cnn2CC(=O)O)c1=O)C(=O)OCC 1609259286 GKLFTELDXHTUQV-UHFFFAOYSA-N 306.278 -0.203 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H]1CCCN(Cc2cnn(C)n2)C1 1713789388 PODNUXZRNXFWFL-OLZOCXBDSA-N 305.382 -0.066 30 20 DBED N#CCN1CCN(CCNC(=O)[C@@H]2CN3CCC2CC3)CC1 1752366010 OIMKQEUAUVUCEU-OAHLLOKOSA-N 305.426 -0.414 30 20 DBED C#CCNC(=O)CNC[C@@H]1CCCN(C(=O)COCC2CC2)C1 1752791566 UNKJWNCRFFLRPL-HNNXBMFYSA-N 321.421 -0.009 30 20 DBED N#CCNC(=O)CNC[C@H]1CCN(C(=O)c2cnns2)C1 1752930025 BFLCLYNXMXUWGL-SECBINFHSA-N 308.367 -0.770 30 20 DBED C#CCO[C@H](C)C(=O)NCCN(C)CC(=O)Nc1ccon1 1753048932 KZKNXUPKIFEXBL-LLVKDONJSA-N 308.338 -0.301 30 20 DBED Cc1noc(C)c1C(=O)N(C)[C@@H](C)CNCC(=O)NCC#N 1753694376 WJOLPQKBTSUYOI-VIFPVBQESA-N 307.354 -0.019 30 20 DBED C#CCNC[C@H](O)CNC(=O)Cc1cc(OC)ccc1OC 1753914442 RVBALYURTKGWGY-ZDUSSCGKSA-N 306.362 -0.054 30 20 DBED Cc1nc(C(=O)N[C@@H](C)CN(C)CC(=O)NCC#N)c(C)o1 1754329344 ZUXRKWKGXJYUKD-VIFPVBQESA-N 307.354 -0.019 30 20 DBED CC#CCNC[C@@H](NC(=O)CCc1nnc(O)nc1O)C1CC1 1754444437 GTJXXZMBASRLMI-GFCCVEGCSA-N 319.365 -0.277 30 20 DBED N#CCNC(=O)CN1[C@H]2CCC[C@H]1CN(C(=O)[C@H]1CCOC1)C2 1754550018 CSIKNUMXFJCTGG-IHRRRGAJSA-N 320.393 -0.272 30 20 DBED C#CCNC1(CNC(=O)c2ccoc2CC(N)=O)CCOCC1 1754739286 HBGTWQFDRLXFHA-UHFFFAOYSA-N 319.361 -0.191 30 20 DBED C#CCN1CC[C@](O)(CNC(=O)CNC(=O)CC(C)(C)C)C1 1754762261 MIGRHHSNXYZXGT-INIZCTEOSA-N 309.410 -0.275 30 20 DBED C=CCC[C@@H](C)N1CC(O)(CNC(=O)C2CS(=O)(=O)C2)C1 1754768321 JEJGLEDBVRCOHR-LLVKDONJSA-N 316.423 -0.451 30 20 DBED CCCNC(=O)CN1CCC[C@@](CO)(NC(=O)C#CC2CC2)C1 1754856221 GYSIYCKDQUALIY-QGZVFWFLSA-N 321.421 -0.131 30 20 DBED C[C@@H](CNC(=O)CC[C@H]1CCCN1C)N(C)CC(=O)NCC#N 1755304485 ZVYJQRURJWDYEC-UONOGXRCSA-N 323.441 -0.063 30 20 DBED C#CCNC(=O)CN1CC([C@@H](C)NC(=O)C2CCN(C)CC2)C1 1755381300 FOKCMFQYIDWELW-CYBMUJFWSA-N 320.437 -0.486 30 20 DBED C#CCNCCC[C@H](C)NC(=O)Cn1[nH]cc2c(=O)ncnc1-2 1755519322 GBAKOIRMRSDMRZ-NSHDSACASA-N 316.365 -0.421 30 20 DBED C#Cc1ccc(C(=O)N(C)C[C@H](O)CNCc2cnon2)cn1 1755793500 FPONIDONWMIFBQ-CQSZACIVSA-N 315.333 -0.331 30 20 DBED C#CCNC(=O)CN(C)C[C@H](O)CN(C)C(=O)c1ocnc1C 1755799116 HMLVBFXFPRFVEF-LBPRGKRZSA-N 322.365 -0.903 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](C)N(C)C(=O)CCN1C(=O)CCC1=O 1756063338 JPFFBTSYBHSHTP-GHMZBOCLSA-N 322.365 -0.352 30 20 DBED C=CCOCC(=O)N[C@@H](CO)CNC(=O)c1ccc(C#N)[nH]1 1756513524 JLEGRBRSFKBFIA-LLVKDONJSA-N 306.322 -0.704 30 20 DBED CC(C)(C)C#CC(=O)N[C@@H](CO)CNC(=O)CCn1ccnc1 1756536594 ZIDVKBPZYBUCSA-CYBMUJFWSA-N 320.393 -0.084 30 20 DBED CN(C[C@H](O)CN(C)C(=O)CN1CCCC1)C(=O)C#CC1CC1 1756689553 ZJDYGBABDNQWCC-HNNXBMFYSA-N 321.421 -0.227 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)c2nc[nH]n2)CCCO1 1756841471 QIENGIPYXXGIQM-GFCCVEGCSA-N 319.365 -0.189 30 20 DBED CC(=O)NCC(=O)N1CCCO[C@H](CNC(=O)C#CC(C)C)C1 1756842231 YTTQTTZKDUYMBR-CQSZACIVSA-N 323.393 -0.484 30 20 DBED C#CCCCC(=O)N1C[C@@H](OCC)[C@H](CNC(=O)C(N)=O)C1 1757387449 GCHSPSUQJHPJQL-VXGBXAGGSA-N 309.366 -0.745 30 20 DBED N#CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CC[C@H](N)C(N)=O 1796079256 JGBAIRZLGGRHHE-USZNOCQGSA-N 321.381 -0.869 30 20 DBED C#CC(=O)N1CCC(N2CCC(NC(=O)COC)CC2)CC1 1834479092 WFRWEWDPOMWSJH-UHFFFAOYSA-N 307.394 -0.162 30 20 DBED N#Cc1ccccc1S(=O)(=O)NCC(=O)O[C@H]1CCOC1=O 5366656 CCXNXSFCADSNPI-JTQLQIEISA-N 324.314 -0.305 30 20 DBED C[C@@H](C#N)CN(C)C(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 64034650 SEALRFMTGFRGTL-KBPBESRZSA-N 322.409 -0.215 30 20 DBED COC(=O)[C@H](CO)NS(=O)(=O)c1cccc(F)c1C#N 70394727 GGZCVBRLJNENIN-VIFPVBQESA-N 302.283 -0.490 30 20 DBED C#CCN(CC(=O)O)S(=O)(=O)c1ccc(C)c(C(N)=O)c1 92479595 AGAKAESLUXFJPH-UHFFFAOYSA-N 310.331 -0.198 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N[C@H]1CCc2nc(C)nn2C1 105934485 LPJFIUMZQKIJLH-KOLCDFICSA-N 306.370 -0.109 30 20 DBED C#CCN(C)C(=O)[C@@H](C)NS(=O)(=O)c1c(C)nn(C)c1C 191031710 WXWWPDZXYMDWFC-SNVBAGLBSA-N 312.395 -0.205 30 20 DBED C=CCOC[C@@H](NC(=O)c1c(OC)ncnc1OC)C(=O)O 262918121 FYKRATWAHNLNPI-MRVPVSSYSA-N 311.294 -0.121 30 20 DBED COC[C@@](C)(C#N)NC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O 269637793 XKSCOYLNWAPQJF-KGLIPLIRSA-N 308.338 -0.248 30 20 DBED C[C@H](O)C(=O)N1CCN(c2nccc(C#N)c2[N+](=O)[O-])CC1 270752899 AZCHHEOXIGZVIB-VIFPVBQESA-N 305.294 -0.109 30 20 DBED C[C@@H](CO)N(CC1CCC1)c1c(C#N)c(=O)n(C)c(=O)n1C 280667421 CDTNONSAOFXTEO-JTQLQIEISA-N 306.366 -0.057 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)CS(=O)(=O)CCOC)C1=O 280995889 AUDSLBLEAHZAHA-LLVKDONJSA-N 318.395 -0.707 30 20 DBED N#Cc1ncn(CCNC(=O)CNC(=O)NC2CCCCC2)n1 286271475 OKOCWKCCESHBPA-UHFFFAOYSA-N 319.369 -0.102 30 20 DBED C=CCSCCNC(=O)C(=O)N[C@H]1CCN(CCOC)C1 286532590 PZVHZIAQHDWBLV-LBPRGKRZSA-N 315.439 -0.141 30 20 DBED CC(C)NC(=O)OC1CN(c2c(C#N)c(=O)n(C)c(=O)n2C)C1 288408225 GMDZGGMSXVUXPG-UHFFFAOYSA-N 321.337 -0.721 30 20 DBED C#CC[C@H](NS(=O)(=O)CC1(C(=O)OC)CCC1)C(=O)O 290936218 JVRPFVISTHNDTO-VIFPVBQESA-N 303.336 -0.274 30 20 DBED CNC(=O)NCC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 293677786 JBPRMQUGKYCJSS-LLVKDONJSA-N 303.322 -0.138 30 20 DBED C#CCN1CCN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC1 302138783 NUTFKEYMWKLZMK-UHFFFAOYSA-N 324.362 -0.003 30 20 DBED N#Cc1c(F)cccc1S(=O)(=O)N1C[C@@H](CO)[C@@H](O)C1 317653434 LXRSCTWUKQMWKV-KWQFWETISA-N 300.311 -0.329 30 20 DBED Cc1ccc(C#N)cc1S(=O)(=O)N1CCC(O)(C(N)=O)CC1 320413382 WSLRJZUHAPIUNO-UHFFFAOYSA-N 323.374 -0.132 30 20 DBED CS(=O)(=O)N1CCC[C@H](N/C(O)=N/C[C@@H]2COCCO2)C1 328678335 MLMYYEFTEMGNEN-WDEREUQCSA-N 321.399 -0.671 30 20 DBED CN1CCN(C(=O)CC/N=C(/O)Cn2cccnc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c1ccc(C(N)=O)cc1 343001745 GIGRKNYZYCVMCC-SNVBAGLBSA-N 323.374 -0.408 30 20 DBED N#CCCCNC(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 345297836 LRKROUBUTXNAQT-UHFFFAOYSA-N 320.353 0.167 30 20 DBED N#CC1(NC(=O)CN(CCO)CCN2CCOCC2)CCC1 347065790 YYSFYJINCFDNKE-UHFFFAOYSA-N 310.398 -0.825 30 20 DBED C=CCOC[C@H]1NC(=O)N(C[C@@H]2CN(C3CC3)CCO2)C1=O 349108532 KDJQPPBNFUDWEW-QWHCGFSZSA-N 309.366 -0.027 30 20 DBED C=CCCN(C)C(=O)C(=O)NCCCN1CCC[C@@H](C(N)=O)C1 358061666 MMJBFBDOYMDDGW-CYBMUJFWSA-N 324.425 -0.276 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCNC(=O)C[C@@H]1C 376569927 IGVKANZXLSQRKQ-MNOVXSKESA-N 302.400 -0.077 30 20 DBED CC(C)[C@]1(CO)CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)C1 377962496 CRPVQDBEIHXGCN-OAHLLOKOSA-N 306.366 -0.200 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCCCN2)CC1 387112519 WSHNAPLSEFGFBU-AWEZNQCLSA-N 308.426 -0.035 30 20 DBED N#Cc1ccnc(N2CCN(C(=O)Cn3cnc(C#N)n3)CC2)c1 425966627 LKUAZMXYLSUBTI-UHFFFAOYSA-N 322.332 -0.235 30 20 DBED C[C@H]1CC[S@@](=O)CCN1c1c(C#N)c(=O)n(C)c(=O)n1C 562421023 DHNCEDCALUGKSB-JLTPVHFHSA-N 310.379 -0.697 30 20 DBED CCCNCCNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 563158431 PKITWLXVORKDPN-UHFFFAOYSA-N 324.406 -0.048 30 20 DBED N#Cc1cnc(N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c([N+](=O)[O-])c1 565232444 GZGGPDYVFHFZMG-UWVGGRQHSA-N 302.294 -0.390 30 20 DBED C=CCOC[C@H](NS(=O)(=O)c1cnn(C)c1C)C(=O)O 572117713 AMRFUQDQUHCFBS-VIFPVBQESA-N 303.340 -0.337 30 20 DBED CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)N1CC[C@](O)(CC#N)C1 592846940 SSWVEYVLQPVFPW-ZWNOBZJWSA-N 317.411 -0.173 30 20 DBED CC1(C)C[C@@]1(C)NS(=O)(=O)CCCS(=O)(=O)NCC#N 595964340 YZMOZGILIWSBMN-LLVKDONJSA-N 323.440 -0.073 30 20 DBED N#CC1(CNC(=O)NCCOCCS(N)(=O)=O)CCC1 596623409 XOYYWVZOURTRFR-UHFFFAOYSA-N 304.372 -0.715 30 20 DBED CC(C)C[C@@H](C#N)NC(=O)[C@H]1CCCN(S(N)(=O)=O)C1 597073438 HUPLDKANNXZWNC-QWRGUYRKSA-N 302.400 -0.044 30 20 DBED N#Cc1ccsc1NC(=O)C(=O)NCCN1CC[C@H](O)C1 600100175 UTUQVGCKYMTYLF-JTQLQIEISA-N 308.363 -0.259 30 20 DBED N#CCCN(CCN1CCOCC1)C(=O)[C@H]1CCCNC1=O 601024394 YCHYBCZMLFWNRZ-ZDUSSCGKSA-N 308.382 -0.413 30 20 DBED C=C[C@H](CO)NC(=O)[C@H]1CC(C)C[C@@H]1C(=O)N[C@H](C=C)CO 620590947 WYQCNNJHQDCJHK-MQYQWHSLSA-N 310.394 -0.025 30 20 DBED CC[C@H](CC#N)N[C@@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O 653757461 VBIXYSKXXPVIIE-DTWKUNHWSA-N 307.354 -0.481 30 20 DBED C=C[C@H](CO)N[C@H](C)C(=O)N1CCN(c2ncccn2)CC1 662167712 GLPSXZWCJSGOKE-CHWSQXEVSA-N 305.382 -0.350 30 20 DBED C#CCOc1ccc(NC(=O)C(=O)NC[C@@H](O)CN(C)C)cc1 731123191 JJGXLCJIHJOSLU-CYBMUJFWSA-N 319.361 -0.324 30 20 DBED CNC(=O)NC(=O)COC(=O)C#Cc1ccc2c(c1)OCO2 761211344 AXIMXQXCAFDDOF-UHFFFAOYSA-N 304.258 -0.234 30 20 DBED C[C@H](OC(=O)CNS(=O)(=O)c1cccc(C#N)c1)C(N)=O 769777567 LMLCWDIEIOBQIS-QMMMGPOBSA-N 311.319 -0.746 30 20 DBED N#Cc1cnn(C(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)c1N 776229719 BCDPKUKCRXOBIJ-OYBPUVFXSA-N 315.289 -0.860 30 20 DBED CN(C)CC(=O)N1CCN(S(=O)(=O)CC(C)(C)C#N)CC1 777817592 NSFYTSCOWMJTPL-UHFFFAOYSA-N 316.427 -0.428 30 20 DBED CNS(=O)(=O)[C@@H]1CCN(C(=O)NCc2ccc(C#N)cn2)C1 780642763 AICAULNIRUPPNQ-GFCCVEGCSA-N 323.378 -0.214 30 20 DBED COC[C@@H](C#N)OC(=O)CNS(=O)(=O)c1cccc(C#N)c1 795328766 YMRIQSVXENFXHQ-LLVKDONJSA-N 323.330 -0.082 30 20 DBED CN(C[C@@H]1CCS(=O)(=O)C1)C(=O)[C@@](C)(C#N)CC(=O)O 820580269 ZIMCEBRPRQCWAP-JOYOIKCWSA-N 302.352 -0.116 30 20 DBED CC#CC[C@H](CO)NC(=O)NC[C@H]1COC2(CCOCC2)O1 826857048 OYICHZDEQRYJQL-OLZOCXBDSA-N 312.366 -0.018 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1cnc(C(=O)O)cn1 833376701 PDNGAUIZEZQYHO-ZETCQYMHSA-N 322.277 -0.268 30 20 DBED N#C[C@@H]1CNC[C@@H]1NC(=O)CNC(=O)Cc1cccc(F)c1 834490255 STZWPRRTUDPCQS-YPMHNXCESA-N 304.325 -0.288 30 20 DBED N#C[C@@H]1CNC[C@@H]1NC(=O)[C@@H]1COCCN1CC(F)(F)F 834506114 PVQVJSYSAAJEEB-UTLUCORTSA-N 306.288 -0.523 30 20 DBED CC(C)[C@@H](N)CNC(=O)C(=O)NCCNc1ccc(C#N)cn1 842249292 BCIZIKVJSDTXQV-LBPRGKRZSA-N 318.381 -0.419 30 20 DBED CN(C)C(=O)c1ccc(S(=O)(=O)O[C@H]2CNOC2)cc1 845932877 NQIHUEHQNGLVCP-JTQLQIEISA-N 300.336 -0.003 30 20 DBED Cn1cnc(NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1=O 888494197 NVQCCUMDTGLEFZ-LLVKDONJSA-N 302.338 -0.016 30 20 DBED C#CC1(O)CN(C(=O)NC(c2nccn2C)c2nccn2C)C1 895962510 IXGOUSOJZFOBEG-UHFFFAOYSA-N 314.349 -0.368 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N1CCc2ncncc2C1 898139706 CIERNWADIHRERT-CYBMUJFWSA-N 316.361 -0.094 30 20 DBED C#C[C@H](NC(=O)C(=O)NCCO[C@@H]1CCOC1)[C@H]1CCCO1 930467355 QOWUECDKDPSFOD-FRRDWIJNSA-N 310.350 -0.795 30 20 DBED C#CC1(O)CN(CC(=O)N2CCN(Cc3ccco3)CC2)C1 934447125 BITRGXZRHPKTKO-UHFFFAOYSA-N 303.362 -0.396 30 20 DBED Cn1cc(C(=O)NC[C@H]2CCCN2C(=O)C#CC2CC2)nn1 944007794 ODIBTKSTGZIIPG-GFCCVEGCSA-N 301.350 -0.051 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@H](CNC(=O)C2CCOCC2)C1 944444044 NVAWAGGTXFCHSL-DGCLKSJQSA-N 309.366 -0.084 30 20 DBED CO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)[C@@H]1[C@H]2COC[C@H]21 945462617 RAGWFFHRDPLLGP-SGPHBRAGSA-N 318.373 -0.366 30 20 DBED N#Cc1cc(C(=O)N2CC[C@H]3[C@@H](CCN3C(=O)C(N)=O)C2)c[nH]1 945929644 YBTPNDKYMXNTBB-CABZTGNLSA-N 315.333 -0.565 30 20 DBED CC#CCN1CCC2(CC1)CN(C(=O)C1(C(N)=O)CC1)CCO2 949174304 OVZFGHQKIZCEFH-UHFFFAOYSA-N 319.405 -0.031 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1cc[nH]n1 950752720 CWBBALFEZVYETK-OCCSQVGLSA-N 315.377 -0.162 30 20 DBED C#CCCN1C[C@H](CNC(=O)c2ccnn2CCOC)[C@@H](O)C1 958170920 CBJBIQIKIFTHSY-ZFWWWQNUSA-N 320.393 -0.425 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](NC(=O)c2cn(C)c(=O)n2C)[C@H](C)C1 958382940 VMXYNAYANVUEEH-GMTAPVOTSA-N 319.365 -0.540 30 20 DBED CN(C(=O)C1CC1)[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1O 958391503 OBDBQOYVDHGLSD-STQMWFEESA-N 302.334 -0.060 30 20 DBED Cc1cc(C(=O)N(C)[C@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)n(C)n1 958674405 JOPKCEAEYDPUPZ-ICCXJUOJSA-N 319.365 -0.468 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)Cn1cccn1 960021416 CCVIVBCIHIFYFM-RWMBFGLXSA-N 317.349 -0.519 30 20 DBED C#CCCN1C[C@H]2C(NC(=O)c3ccc(-n4cnnn4)cn3)[C@@H]2C1 961361143 UKZLNHRZASZZTA-CHWSQXEVSA-N 323.360 -0.259 30 20 DBED C#CCN1CC[C@@H](C)[C@@H](NC(=O)c2cn(C)c(=O)nc2O)C1 968639185 FPHCDCIVGZECBP-PWSUYJOCSA-N 304.350 -0.441 30 20 DBED N#CCN1CCCCC[C@@H]1CNC(=O)[C@@H]1CCS(=O)(=O)N1 969150059 CNZMKEODRZRTPT-NEPJUHHUSA-N 314.411 -0.438 30 20 DBED C=C(Cl)CN[C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 969939864 OSSWEXFRIYGYCZ-OUAUKWLOSA-N 301.774 -0.038 30 20 DBED C#CCCN1CCO[C@]2(CCN(C(=O)[C@H]3CC(=O)N(C)C3)C2)C1 972410357 VKAZAVGDUCFTJB-WMLDXEAASA-N 319.405 -0.209 30 20 DBED CC#CCN1CCO[C@@]2(CCN(C(=O)[C@@]3(C)CCNC3=O)C2)C1 972547454 AZTQNCPYPJYORV-IRXDYDNUSA-N 319.405 -0.161 30 20 DBED C=CCN1C[C@H]2C(CNC(=O)c3cn(C)c(=O)nc3O)[C@@H]2C1 979077926 YAVRWXSVJBAMTH-QWRGUYRKSA-N 304.350 -0.421 30 20 DBED C#CCN1CCCC2(C1)CN(C(=O)CC[C@H]1NC(=O)NC1=O)C2 982141418 DNLFJEAAYHCTOF-GFCCVEGCSA-N 318.377 -0.468 30 20 DBED C=C1CCC(C(=O)N2CC(NC(=O)Cn3ncnn3)C2)CC1 991875074 NOJUMXPAPXYIHJ-UHFFFAOYSA-N 304.354 -0.254 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)[C@H]3COCCO3)C2)cn1 997090673 QNIMUILRZMEXAX-CQSZACIVSA-N 315.329 -0.581 30 20 DBED C#Cc1cncc(C(=O)NC2CN(C(=O)[C@H]3CCNC3=O)C2)c1 999319903 NYSDFRBECIZZGT-ZDUSSCGKSA-N 312.329 -0.860 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(=O)NCCN(C(=O)C2CC2)CC1 1001778307 VLZRPTFAURQSDQ-NSHDSACASA-N 306.366 -0.267 30 20 DBED COc1nn(C)cc1C(=O)NCC1CN(C(=O)[C@@H](C)C#N)C1 1003545700 PIAHCOYILRYIQZ-VIFPVBQESA-N 305.338 -0.223 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(CNC(=O)c2cnon2)C1 1003815760 YIAANZSXRCZYEC-PWSUYJOCSA-N 306.322 -0.151 30 20 DBED C#Cc1cncc(C(=O)NCC2CN(C(=O)Cn3cncn3)C2)c1 1004198395 DHJCBJLMNROCIF-UHFFFAOYSA-N 324.344 -0.457 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2C(CNC(=O)c3cnnc(O)c3)[C@@H]2C1 1009167437 FPJLXRSYBSYZEF-ZHAHWJHGSA-N 315.333 -0.224 30 20 DBED C[C@@H](NC(=O)c1cnon1)[C@H]1CN(C(=O)C#CC2CC2)CCO1 1009698150 UUMOFGAUWQHEQW-ZWNOBZJWSA-N 318.333 -0.171 30 20 DBED CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CCN(C(=O)C#CC2CC2)CC1 1011109819 AOUFRKKKYGPAON-KGLIPLIRSA-N 317.389 -0.205 30 20 DBED C[C@H]1[C@@H](NC(=O)c2cnn(C)n2)CCN1C(=O)C#CC1CC1 1011739888 WAXDLFYFOXABDA-JQWIXIFHSA-N 301.350 -0.052 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCN(CC(=O)NC3CC3)C2)nn1 1015811647 KKWAEOZWAVCSEJ-GFCCVEGCSA-N 318.381 -0.453 30 20 DBED C=CCN1CC[C@@H](N[C@H]2CCN(C(=O)C3=COCCO3)C2)C1=O 1018459468 JYFAIZYTTFYRMJ-QWHCGFSZSA-N 321.377 -0.148 30 20 DBED N#Cc1ccc(C(=O)N2CC3(CCN(C(=O)C(N)=O)C3)C2)[nH]1 1018952328 RVXVLMSCKLCNPN-UHFFFAOYSA-N 301.306 -0.954 30 20 DBED C=CCN1CC[C@@H](N[C@H]2C[C@H](NC(=O)Cn3cccn3)C2)C1=O 1019988913 WHUFVEVVSCEOON-MGPQQGTHSA-N 317.393 -0.093 30 20 DBED C[C@H]1[C@@H](NC(=O)[C@@H]2CCC(=O)N2)CCN1C(=O)C#CC1CC1 1020249196 OSUSTCYUUFKGNT-DRZSPHRISA-N 303.362 -0.216 30 20 DBED C=CCN1CC[C@H](N[C@H]2C[C@@H](NC(=O)c3cnon3)C2)C1=O 1022872317 IEMCPIUJHUNSMW-AXFHLTTASA-N 305.338 -0.293 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CC2CC2)C1 1022888927 PJKDEEOSKKFOEU-QLFBSQMISA-N 319.405 -0.428 30 20 DBED CCc1oncc1C(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1O 1023742277 PJLWMHNEYLVEKX-JMJZKYOTSA-N 306.322 -0.302 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)Cn3nccc3C)C2)C1=O 1031030932 MPTLZBNNIZVZPU-CQSZACIVSA-N 317.393 -0.221 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)c2ccc(C(N)=O)nc2)C1 1035622564 RWYWCQOOOXVKRI-LBPRGKRZSA-N 302.334 -0.756 30 20 DBED C=CCN[C@H]1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)C[C@H]1C 1036052246 GGLDJAUIBNSOCU-OLZOCXBDSA-N 320.393 -0.440 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2CCN2[C@@H]2CCN(C)C2=O)nn1 1038784086 RJELAYBWLSGPIN-DGCLKSJQSA-N 318.381 -0.501 30 20 DBED C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CN1CCN(C)C(=O)C1 1039396910 MWQOLGMBRQQJMA-CABCVRRESA-N 318.421 -0.541 30 20 DBED CCn1nccc1C(=O)NC[C@@]1(O)CCN(C(=O)[C@@H](C)C#N)C1 1039549013 BUQQGDDGMOGFPL-NHYWBVRUSA-N 319.365 -0.244 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@]1(O)CCN(C(=O)CC2CC2)C1 1039720930 GPDRIKMHNKFSCD-BLLLJJGKSA-N 308.378 -0.096 30 20 DBED N#Cc1cncc(NC[C@H]2C[C@H]3CC[C@H]2N(C(=O)C(N)=O)C3)n1 1040021146 XWBIJGQLCSRJGB-CKYFFXLPSA-N 314.349 -0.127 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC[C@](O)(CNC(=O)c2cnon2)C1 1040664426 DDHINXJZAHIBLZ-KBPBESRZSA-N 324.337 -0.910 30 20 DBED N#Cc1cnc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCCO3)C2)c(F)c1 1040898181 JTGMNCVPNQTAOI-UPJWGTAASA-N 320.324 -0.063 30 20 DBED C=CCCC(=O)N1CC[C@@](O)(CNC(=O)Cn2cncn2)C1 1040961254 BFHMFEPJQQOSEB-CQSZACIVSA-N 307.354 -0.676 30 20 DBED C#CCCN1CC[C@]2(CCN(C(=O)c3nnc(O)nc3O)C2)C1 1041446516 TUUPOYWWVQLMBQ-HNNXBMFYSA-N 317.349 -0.156 30 20 DBED N#CCN1CC[C@]2(CCN(C(=O)Cn3ccc(O)nc3=O)C2)C1 1041449578 NEIGOOAQEBGNPT-HNNXBMFYSA-N 317.349 -0.603 30 20 DBED C=C(C)CCC(=O)N1CC(O)(CNC(=O)C[C@@H]2COC(=O)C2)C1 1042554970 QGCZLHAQDFVTKD-LBPRGKRZSA-N 324.377 -0.015 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2cncnc2)C1 1042713320 STRVVKUHZLMJFZ-NSHDSACASA-N 320.349 -0.629 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(O)CN(C(=O)[C@H](C)OC)C1 1042807743 YHONCMGEVZKUNN-GXFFZTMASA-N 300.355 -0.962 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(O)CN(C(=O)[C@@H](F)C(C)C)C1 1042815054 WLYLZMSUIOGREL-JSGCOSHPSA-N 316.373 -0.003 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)c2c(F)cncc2F)C1 1043310820 RBMDODITRNRVBU-QMMMGPOBSA-N 324.287 -0.177 30 20 DBED C=C(C)CCC(=O)N1CC(O)(CNC(=O)C(C)(C)C(N)=O)C1 1043466941 FURMJYWTYAEXCC-UHFFFAOYSA-N 311.382 -0.456 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)CC[C@@H]2CCCN2C)C1 1043659163 GXDGXAXFXUAXPA-OLZOCXBDSA-N 322.409 -0.290 30 20 DBED N#Cc1nccc(N2C[C@H](O)[C@H](NC(=O)C3CCOCC3)C2)n1 1043826932 IJWJJAYHFQYYRI-NEPJUHHUSA-N 317.349 -0.559 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)C[C@@H]2CCC(=O)N2)C1 1043841661 KXAIDDDELIRYFV-NSHDSACASA-N 323.393 -0.443 30 20 DBED CCn1ncc(C(=O)NCC2(O)CN(C(=O)[C@@H](C)C#N)C2)c1C 1045240833 WKEVQWYZOBRCCX-JTQLQIEISA-N 319.365 -0.326 30 20 DBED C=C(C)CCC(=O)N1CC(O)(CNC(=O)CCn2cnnn2)C1 1045259321 QRGOUYZSORHJAV-UHFFFAOYSA-N 322.369 -0.891 30 20 DBED C[C@H]1CCCN1CC(=O)N1CC(O)(CNC(=O)[C@H](C)C#N)C1 1045552176 QKZHNQGLLMCTSP-NEPJUHHUSA-N 308.382 -0.680 30 20 DBED C=CCn1cc(C(=O)N[C@@]2(C)CCN([C@@H](C)C(=O)NC)C2)nn1 1046681339 NNNMZNUHYBIIEL-NHYWBVRUSA-N 320.397 -0.207 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]2CC)C1 1047000132 KBROCDVJKOLPNA-CHWSQXEVSA-N 308.378 -0.238 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3nn[nH]c3n2)C1 1047402686 XPGWJBFLPZPLLN-RYUDHWBXSA-N 302.338 -0.344 30 20 DBED C=C(C)CN1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(=O)n(C)n2)C1 1047617848 CEDWGQHVCFDINV-STQMWFEESA-N 306.366 -0.527 30 20 DBED C=CCCC(=O)N(C)[C@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@@H]1O 1048528051 UURCSTOODPSOHB-RYUDHWBXSA-N 320.349 -0.620 30 20 DBED C#CCCCC(=O)N(C)[C@H]1CN(C(=O)c2cn[nH]c2)C[C@@H]1O 1048750622 YZTBSOWQOAXBCF-STQMWFEESA-N 304.350 -0.143 30 20 DBED N#Cc1cc(C(=O)NC[C@H]2COCCN2Cc2cnon2)c[nH]1 1050880850 YMNCBHCGLUXPQC-ZDUSSCGKSA-N 316.321 -0.100 30 20 DBED N#Cc1cnc(N2CC[C@@H](NC(=O)c3cc[nH]n3)[C@H](O)C2)cn1 1051614823 WVZYPHNGYMGMDZ-ZYHUDNBSSA-N 313.321 -0.559 30 20 DBED N#Cc1nccc(N2CC[C@@H](NC(=O)c3cocn3)[C@@H](O)C2)n1 1051637903 JOGNOTCWFFMDSE-KOLCDFICSA-N 314.305 -0.294 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1C 1052670069 XCGUGKKVSUVSIE-NWDGAFQWSA-N 306.370 -0.150 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)[C@H]3CN(C(C)C)CCO3)CO2)C1 1053904566 PXRLFLCQEUQJSA-HUUCEWRRSA-N 321.421 -0.312 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1NCc1nc(=O)n(C)[nH]1 1054640225 XUQPGUWWVUSALC-PWSUYJOCSA-N 303.366 -0.542 30 20 DBED C=CCCC(=O)N[C@@]1(CO)CCCN(C(=O)c2cn(C)nn2)C1 1055824596 XOADPHRPVRGZFI-HNNXBMFYSA-N 321.381 -0.135 30 20 DBED C=CCCC(=O)N1CCC[C@@](CO)(NC(=O)c2cnnn2C)C1 1055918131 JYUMHYIUZNOVTE-OAHLLOKOSA-N 321.381 -0.135 30 20 DBED C[C@@]1(C(=O)N2CCN(c3nccnc3C#N)CC2)CCC(=O)N1 1056001403 PPGXTEWFIZLCTR-HNNXBMFYSA-N 314.349 -0.334 30 20 DBED Cn1nncc1C(=O)NC1[C@H]2CN(c3cncc(C#N)n3)C[C@H]12 1056195925 WPVVBXADBKREJZ-UWVGGRQHSA-N 310.321 -0.659 30 20 DBED CNC(=O)NCC(=O)N1C[C@@H]2CCCN(C(=O)[C@H](C)C#N)[C@@H]2C1 1056713115 DGRNQJZVFXMLQJ-GRYCIOLGSA-N 321.381 -0.476 30 20 DBED CN(c1cnc(C#N)cn1)[C@H]1CCN(C(=O)c2ncn(C)n2)C1 1056909873 FJNXKHDNLNPJOH-NSHDSACASA-N 312.337 -0.172 30 20 DBED CN(c1cnc(C#N)cn1)[C@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 1056997441 BOWDYSOIOYEAFC-RYUDHWBXSA-N 314.349 -0.479 30 20 DBED CCN(CC)CC(=O)NCCN(CCO)C(=O)C#CC(C)C 1057519151 KFQXLWFVWNZTCR-UHFFFAOYSA-N 311.426 -0.075 30 20 DBED C#CCO[C@H](C)C(=O)N(CCO)CCNC(=O)CC(F)(F)F 1057583732 YLIKQQYCLNXDFC-SNVBAGLBSA-N 324.299 -0.086 30 20 DBED CN(C)C1(C(=O)N(CCO)CCNC(=O)C#CC2CC2)CCC1 1057873746 KOICURPNWJVZRC-UHFFFAOYSA-N 321.421 -0.179 30 20 DBED N#Cc1ccc(N2CC[C@@H](NC(=O)[C@@H]3COC(=O)N3)C2)cn1 1058349985 AUQXJMWOSSPZGY-PWSUYJOCSA-N 301.306 -0.243 30 20 DBED C=C1CC(C)(C(=O)NCCN(CCO)C(=O)C2(C(N)=O)CC2)C1 1058634230 KQTRCPSZEBTSMA-UHFFFAOYSA-N 323.393 -0.455 30 20 DBED N#Cc1nc(=N[C@H]2CCN(C(=O)C[C@@H]3CCC(=O)N3)C2)cc[nH]1 1058924366 JNUXLZJNJLGANK-QWRGUYRKSA-N 314.349 -0.548 30 20 DBED C[C@]1(C(=O)N2CC[C@H](Nc3ccc(C#N)nn3)C2)CCNC1=O 1059062988 KBQCYBZHPVYEBU-NHYWBVRUSA-N 314.349 -0.113 30 20 DBED N#Cc1nc(=N[C@H]2C[C@@H](NC(=O)C[C@H]3COC(=O)C3)C2)cc[nH]1 1059612517 WZYXRBRNRWUHRX-MXWKQRLJSA-N 315.333 -0.218 30 20 DBED C=CCCC(=O)N1CCOC[C@H]1CNC(=O)[C@@H]1CN(C)C(=O)N1 1061751689 AHQNLVPFIITWPQ-NEPJUHHUSA-N 324.381 -0.680 30 20 DBED N#Cc1ccc(N2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2C[C@H]2C(N)=O)nc1 1062580286 ODLCULSFDGQZMT-RVMXOQNASA-N 311.345 -0.136 30 20 DBED C[C@H]1CN(C(=O)CC(N)=O)CC[C@@H]1N=c1cc[nH]c(C#N)n1 1063712777 DFFMQGVLIIRBQV-UWVGGRQHSA-N 302.338 -0.706 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)C[C@@H]2CCNC2=O)CCO1 1065235251 SXCWSAUIMXLOJE-QWHCGFSZSA-N 323.393 -0.178 30 20 DBED C[C@@]1(NC(=O)[C@H]2C[C@H]2C(N)=O)CCN(c2nccnc2C#N)C1 1065329399 PFHHXTWAZALIMU-HFBDOXOYSA-N 314.349 -0.445 30 20 DBED Cc1cc(CC(=O)NC[C@H]2CN(C(=O)[C@@H](C)C#N)CCO2)n[nH]1 1065557845 WAXIYZUPCGOLTE-GWCFXTLKSA-N 319.365 -0.236 30 20 DBED C#CCN[C@@H]1CN(C(=O)Cc2nonc2C)C[C@@H]1n1ccnn1 1070306980 KJQMRLFNTSORAJ-OLZOCXBDSA-N 315.337 -0.813 30 20 DBED CN1CCC[C@H]1C(=O)N1C[C@@H](NCC#N)[C@H](c2cn(C)cn2)C1 1070475103 DLZWADCSIKELRM-CFVMTHIKSA-N 316.409 -0.078 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1c1cn(C)cn1 1070491614 VDFLEBHZGPRDBE-WCQYABFASA-N 313.365 -0.620 30 20 DBED Cc1nnc(CC(=O)N2C[C@@H]3C[C@@H]4CN(CC#N)C[C@]3(C2)O4)o1 1070796404 FJTZKENJEHXPLB-YWPYICTPSA-N 317.349 -0.254 30 20 DBED N#CCN1CCNC(=O)CCN(C(=O)c2ccsn2)CC1 1070973116 CQIHCRHLAYQKCI-UHFFFAOYSA-N 307.379 -0.069 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CCCN(C(=O)c2cnon2)C1 1071158346 KQKDMZFVUHFYCK-GHMZBOCLSA-N 306.322 -0.171 30 20 DBED C=CCOCC(=O)N[C@H]1CN(C(=O)c2cc(=O)n(C)o2)C[C@@H]1C 1071979577 WYSSUIJLSQGDIM-QWRGUYRKSA-N 323.349 -0.242 30 20 DBED C=CCCOCC(=O)N1C[C@H](C)[C@@H](NC(=O)c2cn(C)nn2)C1 1072334215 YAHUVZVPVKHWFK-RYUDHWBXSA-N 321.381 -0.016 30 20 DBED C[C@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@@H]1NC(=O)C#CC1CC1 1072635001 CNZWPBPAISLFMR-JQWIXIFHSA-N 303.362 -0.372 30 20 DBED N#CCN1CCC2(C1)CN(C(=O)[C@@H]1CCc3nn[nH]c3C1)C2 1073124707 ZSNCKHIUQGNNRU-LLVKDONJSA-N 300.366 -0.033 30 20 DBED C=CCOCC(=O)N1CC[C@H](NC(=O)CNC(C)=O)C[C@@H]1C 1074774178 WATPQASNXLQCHV-AAEUAGOBSA-N 311.382 -0.179 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](NC(=O)CC(N)=O)C[C@@H]1C 1074912656 WIZPRRGIJUXRAZ-NWDGAFQWSA-N 309.366 -0.603 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H](C)CCNC(=O)Cn1cccn1 1075610760 VTFRXDZNHBIEQD-STQMWFEESA-N 306.366 -0.068 30 20 DBED C=C(C)CN1C[C@@H]2CCN(C(=O)Cn3ncn(C)c3=O)[C@@H]2C1 1075969062 QFWNBPSEFZWILR-QWHCGFSZSA-N 305.382 -0.309 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)Cn2ccnc2)C1 1080034755 IJPUFWZPABJIPZ-ZDUSSCGKSA-N 318.377 -0.019 30 20 DBED CC(=O)N(C)CC(=O)N1CCC(CO)(NC(=O)[C@H](C)C#N)CC1 1080981800 MEDIJQKVURPDDO-LLVKDONJSA-N 324.381 -0.906 30 20 DBED C[C@@H](C#N)C(=O)NC1(CO)CCN(C(=O)Cn2ccnc2)CC1 1080983900 ZNIBCODLCGOGAH-LBPRGKRZSA-N 319.365 -0.488 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)Cc2cnn(C)c2)C[C@@H]1O 1081332068 ANLBHLPMYSOIJU-KGLIPLIRSA-N 320.393 -0.136 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCn3cc(C)nc3C2)C1 1083568804 OOMBQFLHOCLRAQ-KFWWJZLASA-N 316.405 -0.061 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN([C@H](C)C(N)=O)C[C@@H]2O)cc1 1083691298 INPSSMGEVMSABX-HONMWMINSA-N 301.346 -0.683 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)c2ccc(C(N)=O)s2)C1 1083858186 PXWXXOBLNZABJG-ZJUUUORDSA-N 307.375 -0.355 30 20 DBED C#CCN1CC[C@@H](NC(=O)CN2CC(=O)NC2=O)CC(C)(C)C1 1089518843 HYARJAKDXPXRHV-GFCCVEGCSA-N 320.393 -0.222 30 20 DBED C=CCN1CC[C@@H](NC(=O)c2ccn(CCN(C)C)n2)[C@@H](O)C1 1090271462 IODIIQJPHLCALF-HIFRSBDPSA-N 321.425 -0.204 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CN(c2ncnc3c2ncn3C)C[C@H]1O 1090404951 ZCLWBYHOKLEYRT-OPRDCNLKSA-N 315.337 -0.811 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(c2cc(C)ncn2)C[C@H]1O 1090408543 VBVHEVZRLSFDQT-LALPHHSUSA-N 306.366 -0.222 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)c2ccn3nnnc3c2)[C@H](O)C1 1090487782 ZUVHKPFTNMACBN-QWHCGFSZSA-N 316.365 -0.135 30 20 DBED CCc1nnc(N2C[C@H](O)[C@H](NC(=O)[C@H](C)C#N)C2)nc1CC 1091079885 YSSWMARVUUFRDL-WQAKAFBOSA-N 318.381 -0.178 30 20 DBED Cc1cc(N2C[C@H](O)[C@H](NC(=O)C#CC3CC3)C2)nc(CO)n1 1091097274 FFJSOYNSHUMPHB-OLZOCXBDSA-N 316.361 -0.644 30 20 DBED CO[C@H](C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@@H]1O)C1CC1 1091099122 CDCATCGXQMFCHI-AGIUHOORSA-N 317.349 -0.561 30 20 DBED C=CCn1cc(C(=O)NCC2CC(N[C@@H](CC)C(N)=O)C2)nn1 1091272692 YERHRPQUDPGUHU-MCIGGMRASA-N 320.397 -0.174 30 20 DBED CNC(=O)NCC(=O)NC[C@H]1C[C@H](Nc2cnc(C#N)cn2)C1 1091520948 XQENLCJFXYFMPT-MGCOHNPYSA-N 317.353 -0.416 30 20 DBED CC[C@@H]1[C@@H](NC(=O)CNC(C)=O)CCN1c1ccnc(C#N)n1 1091752569 QFDKLAHCUSGBMP-NWDGAFQWSA-N 316.365 -0.042 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(c2cnc(C#N)cn2)C[C@@H]1O 1092154597 YKQLJOBSBIONJK-OLZOCXBDSA-N 317.349 -0.393 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)Cn3cncn3)c3nccn32)C1 1092410927 PKSYLLXLDAPCJJ-LLVKDONJSA-N 312.337 -0.730 30 20 DBED COCC(=O)NC[C@]1(C)CN(c2cncc(C#N)n2)CCO1 1092719180 KCQGVVQAKWNLQA-CQSZACIVSA-N 305.338 -0.294 30 20 DBED C#CCNC(=O)CC(=O)N1CCN(c2ncccc2C#N)CC1 1093148784 QTNOEJDDOIRRSY-UHFFFAOYSA-N 311.345 -0.259 30 20 DBED C#CCOCCC(=O)NC1[C@@H]2CN(c3cnc(C#N)cn3)C[C@@H]12 1093312112 UHDGLTSHHWGRFN-CHWSQXEVSA-N 311.345 -0.061 30 20 DBED CCS(=O)(=O)CC(=O)NCCNc1nc(C)cc(C#N)n1 1093684848 ONCPGVOYNKOXEI-UHFFFAOYSA-N 311.367 -0.381 30 20 DBED N#Cc1nc(=NCCNC(=O)c2ccc3nncn3c2)cc[nH]1 1093727138 DAYPRYHFQHIDAX-UHFFFAOYSA-N 308.305 -0.345 30 20 DBED C#CCOCCC(=O)NCCNc1cncc(C(=O)N(C)C)n1 1093893211 QEDHIQVUAWYEFP-UHFFFAOYSA-N 319.365 -0.254 30 20 DBED Cn1nnc2c(C(=O)NCCNc3cncc(C#N)n3)ccnc21 1094071873 AVLFMJUQJQLHPK-UHFFFAOYSA-N 323.320 -0.133 30 20 DBED CCN1C[C@H](C(=O)NCCNc2nccnc2C#N)CC1=O 1094190130 BBQWGVHYDSBMAE-SNVBAGLBSA-N 302.338 -0.255 30 20 DBED CN1CC[C@H](C(=O)NCCN=c2cc[nH]cc2C#N)CC1=O 1094239638 WYRRLGYUQNMGRJ-NSHDSACASA-N 301.350 -0.228 30 20 DBED Cc1nc(C(=O)N[C@@H]2CC(=O)N(C3CN(CC#N)C3)C2)c(C)o1 1094803216 JNLVXWCNHDFZLX-LLVKDONJSA-N 317.349 -0.170 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)[C@H]3CCN(C)C3)CC2=O)C1 1094814762 HZWVPSURKIDRSP-QWHCGFSZSA-N 306.410 -0.475 30 20 DBED CN(c1ccncc1C#N)[C@@H]1CCN(C(=O)CNC(N)=O)C1 1095091928 WRRPJGMPXSYTDZ-LLVKDONJSA-N 302.338 -0.341 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H]1CCc2nnnn2CC1 1096040475 LUYWHOJHCJHBID-CRWXNKLISA-N 314.393 -0.020 30 20 DBED CCC(=O)NCC(=O)N[C@@H]1CCCN(c2cncc(C#N)n2)C1 1096148140 CNBZYBGDVBTNQL-LLVKDONJSA-N 316.365 -0.041 30 20 DBED C[C@@H](CNC(=O)c1cn(C)c(=O)n1C)N=c1cc[nH]cc1C#N 1097895456 XHDZFHIBJSCAJD-JTQLQIEISA-N 314.349 -0.357 30 20 DBED CC(=O)N1CC(C(=O)N2CCC(N(CC#N)CCO)CC2)C1 1098356125 HGHYNHUIIGCMJL-UHFFFAOYSA-N 308.382 -0.726 30 20 DBED C#CCN(CCO)C1CCN(C(=O)[C@H]2CCC(=O)N2C)CC1 1098459980 SKXZVGAQXFSEOJ-CQSZACIVSA-N 307.394 -0.474 30 20 DBED C#CCCN(CCO)C1CCN(C(=O)[C@]2(C)CCNC2=O)CC1 1098478184 ZPIIOGQFLRNDGC-QGZVFWFLSA-N 321.421 -0.179 30 20 DBED COC[C@@H](C)C(=O)N1CC[C@@H](n2cc(CNCC#N)nn2)C1 1098645609 RJYHBWGUEUZBTO-DGCLKSJQSA-N 306.370 -0.053 30 20 DBED CNC(=O)NCCC(=O)NCC[C@@H](C)Nc1nccnc1C#N 1099095768 KXMPXJHJJQKPGP-SNVBAGLBSA-N 319.369 -0.026 30 20 DBED C[C@@H](CCNC(=O)Cn1ncnn1)Nc1ccc(C#N)cn1 1099552576 AOZPQCVTVMBBJL-JTQLQIEISA-N 300.326 -0.053 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)c2cnsn2)[C@H](O)C1 1099690503 PKUQSHSYFFYOHO-CMPLNLGQSA-N 312.395 -0.094 30 20 DBED C[C@H](CCNC(=O)CCc1cnn[nH]1)N=c1cc[nH]c(C#N)n1 1099710734 FPADNUPVOCFEKU-SNVBAGLBSA-N 314.353 -0.172 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CCN(CC=C(C)C)C[C@H]1O 1099788540 GLZPJRNTTICEDG-UONOGXRCSA-N 307.394 -0.357 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)Cc2ccnn2C)[C@@H](O)C1 1099794029 GTEPFANVQJHKOR-GJZGRUSLSA-N 322.409 -0.283 30 20 DBED C#CCN1CC[C@H](NC(=O)CCc2cn(C)nc2C)[C@H](O)C1 1100025325 VNJSBIJJJFTFBX-LSDHHAIUSA-N 304.394 -0.154 30 20 DBED NC(=O)CN1CC[C@H](NC(=O)CC#Cc2ccccc2)[C@H](O)C1 1100119342 ILVXLAAVJRZGBC-LSDHHAIUSA-N 315.373 -0.535 30 20 DBED C=CCCOCC(=O)N[C@H]1CCN(CC#CCOC)C[C@@H]1O 1100138466 IZRUOHQRQYRAIX-GJZGRUSLSA-N 310.394 -0.220 30 20 DBED CCC(=O)N[C@H](C)C(=O)NCCN(C)c1ccnc(C#N)n1 1100377253 SAECSNZRAYRQKR-SNVBAGLBSA-N 304.354 -0.185 30 20 DBED CC#CCNC1CC(CNC(=O)[C@@H]2CCN(C)S2(=O)=O)C1 1100747382 JLTHZZGWCCLOAQ-BPCQOVAHSA-N 313.423 -0.472 30 20 DBED CC#CCNC1CC(CNC(=O)CS(=O)(=O)N(C)C)C1 1100931639 SLGXINIHAIMCFG-UHFFFAOYSA-N 301.412 -0.615 30 20 DBED CS(=O)(=O)CC(=O)NC[C@@H]1CCN(c2nccnc2C#N)C1 1100962343 ZVYIYVUNNJEQBB-JTQLQIEISA-N 323.378 -0.665 30 20 DBED CCCN(CCNC(=O)[C@H]1CCNC1=O)c1nccnc1C#N 1101220782 QPBKHTORCDVJFC-NSHDSACASA-N 316.365 -0.183 30 20 DBED COCC(=O)N[C@H](C)C(=O)N(C)CCNc1ncccc1C#N 1102007477 YJVVDBRENVYIOR-LLVKDONJSA-N 319.365 -0.025 30 20 DBED COCC(=O)N[C@H](C)C(=O)N(C)CCN=c1cc[nH]cc1C#N 1102008120 CQNWVULGEGBNKP-LLVKDONJSA-N 319.365 -0.603 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)CN1CCCC1=O 1103853962 UIBMEHCHVOSILB-LLVKDONJSA-N 316.365 -0.443 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H](C)CNc1ccc2nnnn2n1 1104090116 VZXZEAWPHZBBGV-WDEREUQCSA-N 317.353 -0.278 30 20 DBED C[C@@H](CNc1ccc(C#N)nn1)N(C)C(=O)Cn1ncnn1 1104688922 PGOUIEQBLMRIGB-VIFPVBQESA-N 301.314 -0.706 30 20 DBED CSC[C@H](C)C(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1 1105750284 JLTRYFUGKOINCV-UWVGGRQHSA-N 309.395 -0.342 30 20 DBED N#Cc1nc(=NC[C@H](O)CNC(=O)c2ccccc2O)cc[nH]1 1105755599 LRKAUBWUXFDTDJ-JTQLQIEISA-N 313.317 -0.321 30 20 DBED CCOCCOCC(=O)NC[C@H](O)CN=c1cc[nH]cc1C#N 1105872373 PYASBNWIZLKGDW-CYBMUJFWSA-N 322.365 -0.683 30 20 DBED CO[C@H](C(=O)N1C[C@@H](C)[C@H](CNCC(=O)NCC#N)C1)C(C)C 1106624923 AOSFRERLRSKCKV-NFAWXSAZSA-N 324.425 -0.019 30 20 DBED C[C@@]1(C(=O)NC/C=C/CN=c2cc[nH]cc2C#N)CNC(=O)C1 1107421860 LPEAWACPLYPCLS-KZSQQDEKSA-N 313.361 -0.014 30 20 DBED C[C@@]1(C(=O)NC/C=C/CN=c2cc[nH]cc2C#N)CCNC1=O 1107508837 QKYVUDTUERVAAR-KZSQQDEKSA-N 313.361 -0.014 30 20 DBED Cn1c(C(=O)NC/C=C\CN=c2cc[nH]c(C#N)n2)cccc1=O 1107517247 OHHDOFMFNNSREC-IHWYPQMZSA-N 324.344 -0.133 30 20 DBED COCC(=O)N(C)CC(=O)N[C@H](C)CNc1ncccc1C#N 1108174182 MZMCDZNOZKGZMT-LLVKDONJSA-N 319.365 -0.025 30 20 DBED CC#CCN1CC(N2C[C@H](NC(=O)CN(CC)CC)CC2=O)C1 1108581303 NGMPWKWDPPUOQA-CQSZACIVSA-N 320.437 -0.247 30 20 DBED CC(=O)N[C@@H](C)C(=O)N[C@@H](C)CN(C)c1cnc(C#N)cn1 1108818573 ORYSZHVFNQBTPW-UWVGGRQHSA-N 304.354 -0.186 30 20 DBED CNC(=O)NCC(=O)NCC1(Nc2ccnc(C#N)n2)CC1 1110380588 AITZCWFMZKSPMD-UHFFFAOYSA-N 303.326 -0.662 30 20 DBED CN(C(=O)C#CC1CC1)[C@H]1CN(c2nccnc2C#N)C[C@@H]1O 1111183518 JAPQFWAGMZUXFT-KBPBESRZSA-N 311.345 -0.230 30 20 DBED COCC#CCN1C[C@@H]2CCC[C@]2(NC(=O)CNC(N)=O)C1 1111586443 WTUPYFWVJLJDSS-WFASDCNBSA-N 308.382 -0.725 30 20 DBED CCCOCC(=O)NC[C@H]1CN(c2nccnc2C#N)C[C@@H]1O 1112710747 ZUSFCLHXHYTCHN-AAEUAGOBSA-N 319.365 -0.312 30 20 DBED N#Cc1cnc(N2C[C@@H](O)[C@H](CNC(=O)C#CC3CC3)C2)cn1 1112720140 GNFLVUAJGUSIAF-TZMCWYRMSA-N 311.345 -0.325 30 20 DBED CN(C)CCC(=O)NC[C@H]1CN(c2cnc(C#N)cn2)C[C@H]1O 1112754939 JATJPFGFQVPTFZ-WCQYABFASA-N 318.381 -0.787 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)Cn2nccn2)CC1 1112893579 QSZBQRLWZFRDKE-LBPRGKRZSA-N 306.370 -0.887 30 20 DBED COCC#CCN1CCN(C(=O)COCc2nccn2C)CC1 1112997755 OGJPOKPZCHOKJX-UHFFFAOYSA-N 320.393 -0.269 30 20 DBED C=CCC[C@H](C)N1CCN(C(=O)CN2CCNC(=O)C2)CC1 1113184429 GAGSMNALXRYUQX-AWEZNQCLSA-N 308.426 -0.083 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCN([C@@H]2CCC(=O)NC2=O)CC1 1113713286 NVBKIZLPTUPJFT-NWDGAFQWSA-N 309.366 -0.473 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)CCSC)[C@@H]2C1 1113844668 PQHMWLBNYFROET-QJPTWQEYSA-N 309.435 -0.076 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)CCn3cccn3)[C@H]2C1 1113876429 QTYUVEUBQZFLDA-STQMWFEESA-N 315.377 -0.931 30 20 DBED N#CCNC(=O)CN1C[C@H]2C(NC(=O)Cc3cccnc3)[C@@H]2C1 1114140088 ZOLINEBBBNZQTK-CHWSQXEVSA-N 313.361 -0.690 30 20 DBED C#CCN1C[C@H]2[C@H](NC(=O)CN(C)CC(=O)NC(C)C)[C@H]2C1 1114520934 DUSNRSIITLJILC-VIKVFOODSA-N 306.410 -0.878 30 20 DBED CCC[C@H](OCC)C(=O)NC1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]12 1114719361 FORMHLLUQPYINY-UPJWGTAASA-N 322.409 -0.122 30 20 DBED CC(C)[C@H](NS(C)(=O)=O)C(=O)NC1[C@@H]2CN(CC#N)C[C@@H]12 1114942603 NUHKMSJKLSXZQT-MXWKQRLJSA-N 314.411 -0.870 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)CN(CC)CC)[C@H]2C1 1115000622 JDZQZEMJNPWFIC-IHRRRGAJSA-N 320.437 -0.488 30 20 DBED C=CCCN1C[C@@H]2C(NC(=O)COCc3ncnn3C)[C@H]2C1 1115043435 BGHSWPHDDZEEBV-RYUDHWBXSA-N 305.382 -0.046 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN3CCC[C@H]3C2)CCO1 1117039529 ATRAOFYCCNHRSS-RWMBFGLXSA-N 306.366 -0.520 30 20 DBED C#CCN(C(=O)C(=O)NCc1nnn(C)n1)C1CCCCC1 1117429534 FCZQODADFFCJGD-UHFFFAOYSA-N 304.354 -0.379 30 20 DBED C#CCSCCNC(=O)C(=O)N[C@H]1CCn2ccnc2C1 1117461521 HUVMEFIFZFMUQG-NSHDSACASA-N 306.391 -0.203 30 20 DBED CC(=O)NCCN(C)C(=O)C(=O)NCc1ccc(C#N)cc1 1118146144 VLCAOEJBMNNMGE-UHFFFAOYSA-N 302.334 -0.231 30 20 DBED CC#CC[C@H](CO)NC(=O)C(=O)Nc1ccc(=O)n(CC)c1 1118204326 JCFLPONLKWYXFY-GFCCVEGCSA-N 305.334 -0.303 30 20 DBED C#CCn1ccc(CN(CC)C(=O)Cn2cnc(C(N)=O)n2)n1 1118291083 KRGGIRSCPVKORZ-UHFFFAOYSA-N 315.337 -0.745 30 20 DBED CC(=O)CCCC(=O)NC[C@@H](CO)Nc1ccc(C#N)nn1 1121051329 XBDLJUOGSMLZRB-LBPRGKRZSA-N 305.338 -0.003 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)C[C@H]2CCC(=O)N2)cn1 1121771858 YIXLVAWXGFPYOJ-MFKMUULPSA-N 317.349 -0.489 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)c2cnnc(O)c2)cn1 1122158055 GCZJOKRWCFEESR-GFCCVEGCSA-N 314.305 -0.348 30 20 DBED C[C@H](C(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1)C(C)(F)F 1122550668 QBRJEIPJPHUXMC-RKDXNWHRSA-N 313.308 -0.050 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](O)CN(C)C(=O)c2cc[nH]n2)n1 1124045448 HOQBVAJGYZIOIT-LLVKDONJSA-N 315.337 -0.075 30 20 DBED CC(C)N(C)CC(=O)N(C)C[C@@H](O)CNc1cnc(C#N)cn1 1124380978 GXWQDUFJSNUCSN-ZDUSSCGKSA-N 320.397 -0.080 30 20 DBED C#CCOCCC(=O)NCCNCCc1nnn(C(C)(C)C)n1 1127031993 NENMAKODMFKSIW-UHFFFAOYSA-N 322.413 -0.284 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H](C)c1ccnn1C 1127588535 DUQYYUNPWOOQOP-NWDGAFQWSA-N 305.382 -0.633 30 20 DBED C#CCNCc1nnc2n1CC[C@@H](NC(=O)c1cnon1)CC2 1128048583 OAZYOEYKWQTZDC-JTQLQIEISA-N 315.337 -0.481 30 20 DBED C=C(C)CCN1CCn2ncc(CNC(=O)CNC(N)=O)c2C1 1128218361 USTYKKCJZDZPBQ-UHFFFAOYSA-N 320.397 -0.051 30 20 DBED C#CCO[C@H](C)C(=O)NCc1cnn2c1CN(CCOC)CC2 1128351370 XFJUNHBZALLSEO-CYBMUJFWSA-N 320.393 0.000 30 20 DBED CC#CCN1CCn2ncc(CNC(=O)C(C)(C)C(N)=O)c2C1 1128386976 NPTCDUOSAMRSDZ-UHFFFAOYSA-N 317.393 -0.150 30 20 DBED C=C(C)CN1C[C@H](n2ccnn2)[C@H](NC(=O)CNC(=O)NC)C1 1129038042 MBAFENWWFVXPHV-NEPJUHHUSA-N 321.385 -0.875 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCNCC(=O)N[C@H](C)CC 1129771078 QIKOBMXHWYKDKN-KGLIPLIRSA-N 308.426 -0.296 30 20 DBED COCC1(C(=O)N2C[C@H](n3ccnn3)[C@H](NCC#N)C2)CCC1 1129938152 OVIXZRMNDMHGCB-OLZOCXBDSA-N 318.381 -0.040 30 20 DBED CN(C)CCOCC(=O)N1C[C@H]2C[C@@H]3CN(CC#N)C[C@]2(C1)O3 1131286445 XGEBNUCZCCXEJX-IIAWOOMASA-N 322.409 -0.610 30 20 DBED C#CCN1CC[C@@]2(C1)CN(C(=O)CCCC(N)=O)C[C@H](C)O2 1131704327 VNNRDZWTRABXLZ-XJKSGUPXSA-N 307.394 -0.033 30 20 DBED CCn1ncc(C(=O)N[C@@H](C)C[C@H](C)NCC(=O)NCC#N)n1 1134265227 KWSAWANQYUHQMQ-QWRGUYRKSA-N 321.385 -0.576 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NCCN[C@H](C)C(=O)N(C)C 1134817483 YCAFJDPYHHFKJM-YPMHNXCESA-N 312.414 -0.360 30 20 DBED N#CCNC(=O)CNCCNC(=O)CCCc1cccnc1 1135936506 INSAQVYAZLYCGP-UHFFFAOYSA-N 303.366 -0.250 30 20 DBED C#CCN[C@H](C)C[C@@H](C)NC(=O)CN1CCS(=O)(=O)CC1 1146314831 OGMDFHJSPZMXDU-CHWSQXEVSA-N 315.439 -0.777 30 20 DBED C#CCNC(=O)CC(=O)N1CC2(CCN(CC#CCOC)C2)C1 1147391433 FNDPMBWCIHYWLS-UHFFFAOYSA-N 317.389 -0.690 30 20 DBED COCc1ccc(C(=O)NCCNCC(=O)NCC#N)cc1F 1149100316 LLAHWONHGOFVAE-UHFFFAOYSA-N 322.340 -0.069 30 20 DBED Cc1n[nH]c(C)c1CCC(=O)NCCNCC(=O)NCC#N 1150717479 HYIGKQYCVCADFC-UHFFFAOYSA-N 306.370 -0.695 30 20 DBED C=CCN(CC=C)C(=O)CNCCCNC(=O)[C@@H](C)NC(C)=O 1154382975 ZGWYQDWJOLCHQM-CYBMUJFWSA-N 324.425 -0.193 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@H]1CCN(C)[C@@H]1CC 1158403350 GCJXAXQXNJZINI-UONOGXRCSA-N 308.426 -0.438 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)Cc1cc(C)nn1C 1162468815 JDTPZKCBEIQSEO-CYBMUJFWSA-N 319.409 -0.495 30 20 DBED C=CCOCC(=O)NCCC1(CNCc2nnnn2C)CC1 1163799378 FIQPDOQDKCJJGY-UHFFFAOYSA-N 308.386 -0.211 30 20 DBED C#CCNCC1(CCNC(=O)CCS(=O)(=O)NC)CC1 1164513302 ANIOFIANCWGPQC-UHFFFAOYSA-N 301.412 -0.565 30 20 DBED C=CCNC(=O)CNCCCNC(=O)C[C@@H](C)N1CCCC1=O 1171012511 YQUZKZSUZVTNCO-CYBMUJFWSA-N 324.425 -0.215 30 20 DBED C#CCNC(=O)CN1CCO[C@H]2CCN(C(=O)COCC)C[C@@H]21 1176900510 MILVRNRUWAJHTM-KBPBESRZSA-N 323.393 -0.926 30 20 DBED C=CCCOCC(=O)NCCCNCc1nnc2n1CCOC2 1177264404 HDTSJWUAOUDDCX-UHFFFAOYSA-N 323.397 -0.003 30 20 DBED COCC#CCNC[C@@H]1C[C@H]2CC[C@H]1N(C(=O)CNC(C)=O)C2 1177580369 CDESNTWYAXUJPO-OWCLPIDISA-N 321.421 -0.011 30 20 DBED C#CCN[C@H]1CCN(C(=O)CN(C)CC(=O)NC(C)C)[C@H]1C 1179055754 ANRXECGWNYIEKG-KBPBESRZSA-N 308.426 -0.345 30 20 DBED C[C@H](N[C@@H]1CCN(C(=O)CSCC#N)C1)c1nnnn1C 1181106374 BXSDMCHZLLXPLR-VHSXEESVSA-N 309.399 -0.282 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@@H](NCCN2CCCC2=O)C1 1182472842 IUCLBWXZLIQJGJ-UONOGXRCSA-N 307.394 -0.162 30 20 DBED C#CCNC[C@]1(C)CN(C(=O)[C@@H]2CN(C(C)=O)CCO2)C[C@H]1C 1183297532 IKEVOVXIRYTCEO-UKPHBRMFSA-N 321.421 -0.059 30 20 DBED C#CCNC[C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)C[C@@H]1C 1185326181 FGHDYNCSPMUKLG-RYUDHWBXSA-N 306.366 -0.754 30 20 DBED C#CCN[C@H]1CCO[C@H](C2CCN(C(=O)CNC(N)=O)CC2)C1 1186053783 ZGMPCSIJKFQMKP-KBPBESRZSA-N 322.409 -0.336 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)C(C)(C)CNC(C)=O)C1 1186258341 AREZRCGIPRVKJC-CYBMUJFWSA-N 324.425 -0.359 30 20 DBED C=CCCOCC(=O)N1CC[C@@H](NCCNS(C)(=O)=O)C1 1188301683 HKXBZWMYVBDOEK-GFCCVEGCSA-N 319.427 -0.681 30 20 DBED C[C@@H]1CCO[C@@H]1C(=O)N1CC[C@H]2CN(CC(=O)NCC#N)C[C@H]21 1189181783 IVWCNSKLVDIBBS-COMQUAJESA-N 320.393 -0.416 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](N(C)[C@H](C)C(=O)NC(N)=O)C1 1190113461 JKHPMFUYZWJGHV-VXGBXAGGSA-N 324.381 -0.858 30 20 DBED CC#CCN(C)[C@@H]1CCN(C(=O)CCNS(C)(=O)=O)C1 1190462386 HXCZHBROTVKRIO-GFCCVEGCSA-N 301.412 -0.518 30 20 DBED COCC#CCN(C)[C@H]1CCN(C(=O)[C@H]2CCCC(=O)N2)C1 1190818210 PIVIYXXTYFYCSJ-UONOGXRCSA-N 307.394 -0.162 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2coc(C)c2)C1 1192429606 MVAZFKSHPWOIHK-CHWSQXEVSA-N 307.350 -0.335 30 20 DBED C=CCOCCN(C)[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 1193896504 GFPBBGXITSCRBP-LBPRGKRZSA-N 324.381 -0.727 30 20 DBED C=CCC[C@H](C)N1C[C@@H](O)[C@H](NC(=O)CCn2cnnn2)C1 1197160267 AIMOKYIPOIBMLQ-YNEHKIRRSA-N 308.386 -0.421 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)COC2CCN(C)CC2)C1 1197320321 XQRUXCKALPOSDS-HUUCEWRRSA-N 309.410 -0.718 30 20 DBED CNC(=O)NCC(=O)NC[C@@H](NCC#N)c1ccccc1OC 1198750985 DBORNOKORKVLJO-GFCCVEGCSA-N 319.365 -0.105 30 20 DBED Cn1cc(CC(=O)N2CCC(NCC(=O)NCC#N)CC2)cn1 1199681609 FDDBWXKZJJCNIM-UHFFFAOYSA-N 318.381 -0.817 30 20 DBED CNC(=O)[C@H](C)NC[C@@H]1CN(C(=O)C#CC(C)C)CCCO1 1200470165 VIFDLDYIFFXOPO-UONOGXRCSA-N 309.410 -0.013 30 20 DBED COc1nn(C)cc1C(=O)N1CCCO[C@@H](CNCC#N)C1 1201120610 PQQQPJBPBLRXAZ-NSHDSACASA-N 307.354 -0.227 30 20 DBED C=CCNC[C@H]1CN(C(=O)C[C@@H]2CC(=O)NC2=O)CCCO1 1202251698 UEYDSFMDXGOYPU-RYUDHWBXSA-N 309.366 -0.568 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)c2cncnc2)CC1 1205044985 PUHQHPGBPILKTD-UHFFFAOYSA-N 315.377 -0.332 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)c1cccc(O)n1 1206759510 IKZPOVOADQVUCT-ZYHUDNBSSA-N 317.349 -0.523 30 20 DBED CCn1ncc(C(=O)N[C@@H]2CN(CC#CCOC)C[C@H]2C)n1 1206929304 DHCFEJCVWQAIEE-TZMCWYRMSA-N 305.382 -0.002 30 20 DBED CC[C@@H](C(N)=O)N1C[C@@H](NC(=O)CSCC#N)[C@H](OC)C1 1211888562 CFWMYLZSMJWVJM-OUAUKWLOSA-N 314.411 -0.678 30 20 DBED C=CCOCCN[C@@H]1CN(C(=O)[C@H]2CN(C)CCO2)C[C@H]1C 1214387142 UMVUZSYIHMFKCJ-RBSFLKMASA-N 311.426 -0.044 30 20 DBED CC(C)(C)C#CC(=O)N[C@@H]1CN(CC(=O)NC2CC2)C[C@@H]1O 1219596360 QSYWORHMWMIWSY-OLZOCXBDSA-N 307.394 -0.524 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)c2c[nH]nc2C)C1 1220107755 OQWVSQOZJVPCAT-RTXFEEFZSA-N 321.381 -0.816 30 20 DBED C#CCCCCCC(=O)N[C@@H]1CN([C@@H](C)C(=O)NC)C[C@@H]1O 1220146651 LLACSMCZCMKPGO-MJBXVCDLSA-N 309.410 -0.134 30 20 DBED C=C[C@H](CC)CC(=O)N[C@@H]1CN(CC(=O)N2CCC2)C[C@@H]1O 1220203921 UZARVDWNTNTLMZ-MCIONIFRSA-N 309.410 -0.018 30 20 DBED C=C1CCC(C(=O)N[C@@H]2CN(CCOCCO)C[C@@H]2O)CC1 1220275104 PEIYQTWQVBGBEY-CABCVRRESA-N 312.410 -0.097 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)Cc2ccc(C)nc2)C1 1220981595 YWVAIODERDVKDN-CVEARBPZSA-N 317.389 -0.256 30 20 DBED C=CCCCN1C[C@H](O)[C@H](NC(=O)CCc2cn(C)nn2)C1 1221189797 KZCCBOABBWYKPO-KGLIPLIRSA-N 307.398 -0.125 30 20 DBED C[C@H](C#N)C(=O)NCC1CCN(CCN2C(=O)CNC2=O)CC1 1222663740 DWKCCFVPOGEURM-LLVKDONJSA-N 321.381 -0.474 30 20 DBED C=CCN1CCC(CNC(=O)CN2C(=O)CN(C)C2=O)CC1 1225372133 IDNPEPGVMHASRE-UHFFFAOYSA-N 308.382 -0.105 30 20 DBED COCC#CCN1CCC(NC(=O)[C@@H]2CN(C)CCO2)CC1 1226723133 OOIDQGBNQMQERD-HNNXBMFYSA-N 309.410 -0.453 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)c2ccnn2CC)CC1 1227016819 DWGSJYAZFLORKT-UHFFFAOYSA-N 317.393 -0.153 30 20 DBED C#CCN1CCS(=O)(=O)[C@@H](CCNC(=O)c2ncccn2)C1 1230512086 INONBSVEMDAXCK-LBPRGKRZSA-N 322.390 -0.671 30 20 DBED C#CCNC(=O)[C@H](C)N(C)CCCNC(=O)C1=COCCO1 1233562780 SXILFWCQDCCFGJ-LBPRGKRZSA-N 309.366 -0.549 30 20 DBED C=CCOCCN1CC[C@@H]1CN(C)C(=O)C[C@@H]1NC(=O)NC1=O 1235474054 ZSVGPPLIAFRILO-NEPJUHHUSA-N 324.381 -0.680 30 20 DBED C[C@@]1(C#N)CCCN(C(=O)C(=O)N2CCN3CCOC[C@H]3C2)C1 1261328583 KQLJQYFOBBSJRK-CJNGLKHVSA-N 320.393 -0.318 30 20 DBED C[C@@H](CCNC(=O)c1cccn(C)c1=O)NCC(=O)NCC#N 1266182479 IVCOWUGZZSBYRQ-NSHDSACASA-N 319.365 -0.877 30 20 DBED CNC(=O)CCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N 1319915743 FMEFVIPADPKQGL-UHFFFAOYSA-N 320.353 -0.299 30 20 DBED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(OCC#N)cc1 1320675891 PAHJIRNRYMLPAS-UHFFFAOYSA-N 316.317 -0.054 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2cnc(C)nc2)C1=O 1321340821 YRRAKIQPDRPFFK-LBPRGKRZSA-N 317.349 -0.031 30 20 DBED Cc1nc(C(=O)NCc2ccc(C#N)cn2)nn1-c1nc[nH]n1 1324102629 YFOHNHBIIZCTJJ-UHFFFAOYSA-N 309.293 -0.110 30 20 DBED N#CC1CCC(CNC(=O)C(=O)N2CC[C@H](NC(N)=O)C2)CC1 1324189215 JEMNEVLTZYOELG-MCIGGMRASA-N 321.381 -0.298 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCC[C@H](CNC(C)=O)C1 1324878731 QWJRNRAWTZFSOX-CYBMUJFWSA-N 309.366 -0.873 30 20 DBED C[C@@H]1C(=O)NCCN1C(=O)C(=O)NCCc1ccc(C#N)cc1 1327289552 HJKYUJJEEQLKTA-LLVKDONJSA-N 314.345 -0.436 30 20 DBED Cc1c([C@@H](C)NC(=O)C(=O)N2CC[C@](O)(CC#N)C2)cnn1C 1332204230 URWBLTJKKLOEFJ-MEBBXXQBSA-N 319.365 -0.217 30 20 DBED C=CCn1nnnc1N1CCC(N(C)S(C)(=O)=O)CC1 1332489575 OGXPSMXCHLKQBV-UHFFFAOYSA-N 300.388 -0.281 30 20 DBED C=C(C)CN(C)C(=O)C(=O)N1CCC([C@H](O)C(=O)OC)CC1 1334709364 DNXGFQILQWUUDR-LBPRGKRZSA-N 312.366 -0.207 30 20 DBED C#CCN1CCN(c2nnc([C@@]3(C)CNC(=O)C3)n2CC)CC1 1343021718 RXFOVNNXRARALK-MRXNPFEDSA-N 316.409 -0.169 30 20 DBED C=CCOCCn1nnnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1344013145 NLKVWEVERVUWKP-MNOVXSKESA-N 308.342 -0.190 30 20 DBED C#CCN1CCN(c2nnc(C(C)(C)O)n2CCOC)CC1 1345664069 NGHNXQGBEDKEDW-UHFFFAOYSA-N 307.398 -0.093 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)CN2CCC(CO)CC2)C1=O 1347060064 IBZNAZITIOGDBY-CQSZACIVSA-N 309.410 -0.064 30 20 DBED C#CCOCCN(C)C(=O)c1cn(C[C@@H]2CNC(=O)O2)nn1 1348897953 AATMFHCHZABJFS-JTQLQIEISA-N 307.310 -0.892 30 20 DBED CC1CCN(CCNC(=O)Cn2cc(C#N)c(O)nc2=O)CC1 1361805540 UGMKTRCZPAJZKJ-UHFFFAOYSA-N 319.365 -0.331 30 20 DBED COCC(=O)NC1CCN(C(=O)[C@@H](C)n2cnc(C#N)n2)CC1 1362096262 BBFGLYFVSGXBLR-SNVBAGLBSA-N 320.353 -0.536 30 20 DBED CCC(=O)N1CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)C1 1362800267 PDVPGZDYXZLVJH-UHFFFAOYSA-N 319.321 -0.751 30 20 DBED CC(C)[C@H](C(=O)NCCn1cc(C#N)c(O)nc1=O)N(C)C 1363485196 UZQVPRRJWUNVKK-LLVKDONJSA-N 307.354 -0.477 30 20 DBED N#Cc1cn(CC(=O)N[C@H](CCO)C(F)(F)F)c(=O)nc1O 1363501018 OHUFBNPRUKKDMT-SSDOTTSWSA-N 320.227 -0.750 30 20 DBED N#Cc1ccc(S(=O)(=O)CCN2C[C@@H](CO)[C@H](CO)C2)cc1 1364777209 IRRNAMJBJCUXHQ-KBPBESRZSA-N 324.402 -0.135 30 20 DBED CC(=O)N1CC(C(=O)N(C)CCNC(=O)c2cc(C#N)c[nH]2)C1 1373395522 FZGZWKYRYCCDKZ-UHFFFAOYSA-N 317.349 -0.447 30 20 DBED N#Cc1ccc(CNC[C@H](O)CNC(=O)[C@@H]2CCC(=O)N2)cc1 1374669070 INHUZSLYJMJERA-KBPBESRZSA-N 316.361 -0.596 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)COCC2CC2)C1 1380123667 OISDMUAKEZXRJX-XHDPSFHLSA-N 309.366 -0.348 30 20 DBED COCCN(CCNC(=O)[C@@H](C)C#N)C(=O)C1CN(C(C)=O)C1 1396169240 DENAQJVZSLGAKC-NSHDSACASA-N 324.381 -0.784 30 20 DBED Cc1nonc1CC(=O)NCCN(C)c1nccnc1C#N 1396208892 KPXOUYGKXRMHDJ-UHFFFAOYSA-N 301.310 -0.165 30 20 DBED CNC(=O)NCC(=O)NC1CN(Cc2ccc(F)c(C#N)c2)C1 1400332680 INYJEVXBXSWOSE-UHFFFAOYSA-N 319.340 -0.073 30 20 DBED C=C(Cl)CN1CCO[C@H](CNC(=O)CN2CCOCC2)C1 1401154437 JNDSXJGYNGKXAZ-CYBMUJFWSA-N 317.817 -0.112 30 20 DBED C=C(Cl)CN1CC(O)(CNC(=O)CNC(=O)C2CC2)C1 1402305109 HYJDUHRHHMECCA-UHFFFAOYSA-N 301.774 -0.572 30 20 DBED C=C(Cl)CNC[C@@H](O)CNC(=O)c1ccc(=O)n(C)n1 1406274613 FYRULBBSIPOIHR-SECBINFHSA-N 300.746 -0.787 30 20 DBED CCc1ncncc1C(=O)N(C)C[C@H](O)CNC(=O)[C@H](C)C#N 1413264538 KOCAPNLADAKTQO-GHMZBOCLSA-N 319.365 -0.252 30 20 DBED CNC(=O)[C@H](O)CNC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1 1413850456 OLWHAWSSNINRFR-UONOGXRCSA-N 316.361 -0.250 30 20 DBED N#Cc1ccccc1OCCN1C[C@@H](C(N)=O)[C@H](C(N)=O)C1 1414017543 PMZVSWRLTCYGGL-VXGBXAGGSA-N 302.334 -0.544 30 20 DBED CN(CC1(O)CCOCC1)C(=O)NCCn1cnc(C#N)n1 1427472109 SBSYHLLPMFRXNG-UHFFFAOYSA-N 308.342 -0.667 30 20 DBED Cc1nn(C)c(C)c1[C@H](O)CNC(=O)[C@@H](C)n1cnc(C#N)n1 1457179144 LKNRJTDOHIITBO-GHMZBOCLSA-N 317.353 -0.089 30 20 DBED C[C@@H](Nc1[nH]c(=O)n(C)c(=O)c1C#N)[C@@H](C)N1CCOCC1 1458163119 DRYDYANKNFWLLJ-NXEZZACHSA-N 307.354 -0.534 30 20 DBED Cn1cc(N2CC[C@H](Nc3[nH]c(=O)n(C)c(=O)c3C#N)C2)cn1 1458204477 RNZNOCDIFZKVCJ-VIFPVBQESA-N 315.337 -0.630 30 20 DBED CN(CCC#N)S(=O)(=O)NC[C@@H]1CCCN(C(N)=O)C1 1475358941 XMICSFFVEVYSRM-JTQLQIEISA-N 303.388 -0.543 30 20 DBED C[C@H](C#N)C(=O)N1CC([C@@H](C)NC(=O)CCc2nc[nH]n2)C1 1487164259 QTBGJBQXVNGNAB-NXEZZACHSA-N 304.354 -0.140 30 20 DBED C[C@H](C#N)C(=O)NC1CCN(C(=O)[C@@H]2CCC(=O)NC2)CC1 1492105958 GLWSXPIYSJBNQL-GHMZBOCLSA-N 306.366 -0.221 30 20 DBED CCN(CCNC(=O)CNC(C)=O)C(=O)c1ccc(C#N)[nH]1 1496634746 YVBOEFPDDYKGOV-UHFFFAOYSA-N 305.338 -0.399 30 20 DBED C=CCNC(=O)CNC[C@H]1CCCN1C(=O)c1n[nH]c(C)c1O 1499886925 CFDNICUXZWVMNC-LLVKDONJSA-N 321.381 -0.080 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H](C)CCNC(=O)Cn1cccn1 1567210048 ZAWNERKIQLNGGG-QWHCGFSZSA-N 305.382 -0.495 30 20 DBED C#Cc1cncc(C(=O)N(C)C[C@@H](C)NC(=O)CNC(=O)O)c1 1573313859 SBTYGCVLBUIDBB-SNVBAGLBSA-N 318.333 -0.093 30 20 DBED CCOC(=O)[C@@H]1CCN(c2cnc(-c3nn[nH]n3)c(C#N)n2)C1 1578244277 RYFYZUVYMRWZIC-MRVPVSSYSA-N 314.309 -0.082 30 20 DBED CS(=O)(=O)[C@H]1CCN(c2cnc(C#N)c(-c3nn[nH]n3)n2)C1 1580154330 DJBRMTUGFOZPND-ZETCQYMHSA-N 320.338 -0.848 30 20 DBED N#Cc1c[nH]c(=O)n(Cc2ccc(-c3nn[nH]n3)c(F)c2)c1=O 1581861115 JNVFVJFUCCVLJY-UHFFFAOYSA-N 313.252 -0.224 30 20 DBED N#Cc1cc(C(=O)NCCn2cnc(-c3nn[nH]n3)n2)cs1 1581864587 CQXYLGPCRPGVMC-UHFFFAOYSA-N 315.322 -0.179 30 20 DBED C=CCCCC(=O)NCCn1cc(-c2nn[nH]n2)c(O)nc1=O 1588590421 MERAEQYDWJWDFW-UHFFFAOYSA-N 319.325 -0.399 30 20 DBED C=CCNC(=O)CN1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1C[C@H]1C(=O)O 1588839244 PWBDKNLSQYNKHW-YVECIDJPSA-N 321.377 -0.316 30 20 DBED C=CCn1cc(CNC(=O)N2C[C@H](O)C[C@@H](C(=O)O)C2)nn1 1588908958 BTQMCTCFVFEOAB-MWLCHTKSSA-N 309.326 -0.559 30 20 DBED COCC#CCn1c(=O)c(-c2nn[nH]n2)c(C)n(C2CC2)c1=O 1591364119 PTBFOLGXBJXPIB-UHFFFAOYSA-N 316.321 -0.517 30 20 DBED COCCCNC(=O)[C@H](C#N)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 1591416140 PQQROCLBRAYTDV-MRVPVSSYSA-N 317.309 -0.330 30 20 DBED COc1cc(C(=O)N[C@H]2CNC[C@@H]2C#N)ccc1-c1nn[nH]n1 1591512110 QUYPUDDZUIYGHR-ONGXEEELSA-N 313.321 -0.283 30 20 DBED C[C@@]1(C(=O)O)CCCN(C(=O)C(=O)N2CCO[C@H](C#N)C2)C1 1593762767 SNGHRSBVPKBBOP-QMTHXVAHSA-N 309.322 -0.549 30 20 DBED N#C[C@H](C(=O)CCCC(=O)O)C(=O)N1CCS(=O)(=O)CC1 1605575878 FHDDKKBIMXBTFB-SECBINFHSA-N 316.335 -0.793 30 20 DBED Cn1ccc([C@@H](NS(=O)(=O)c2cccnc2C#N)C(=O)O)n1 1608127321 XEORHYHQFDJINP-LLVKDONJSA-N 321.318 -0.209 30 20 DBED N#CCCNC(=O)C(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1 1609495461 OMQVFOKJZDXJFV-UHFFFAOYSA-N 303.257 -0.026 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCCN(C(=O)CCOCC#C)C1 1752991218 NIMWOEJATDHLFQ-HNNXBMFYSA-N 319.405 -0.302 30 20 DBED C#CCNC(=O)CN1CC(NC(=O)CCOC[C@H]2CCCO2)C1 1753381775 WDUJPEXCSSFKEV-CQSZACIVSA-N 323.393 -0.878 30 20 DBED N#CCNC(=O)CN1CC(NC(=O)[C@@H]2C[C@H]2c2ccco2)C1 1753387395 NNLWULVMLCQSRN-VXGBXAGGSA-N 302.334 -0.177 30 20 DBED C=CCNC(=O)CNC[C@H](C)CNC(=O)c1cc[n+]([O-])cc1 1753612043 FDVLZTWUDJPZNI-LBPRGKRZSA-N 306.366 -0.422 30 20 DBED C=CCNC(=O)[C@H](C)NC/C=C\CNC(=O)C1=COCCO1 1754092240 KAFWNVXQEMQAFJ-RXNFCKPNSA-N 309.366 -0.173 30 20 DBED CCCn1nccc1C(=O)N[C@H](C)CN(C)CC(=O)NCC#N 1754311050 OCEKEHDBTWMURR-GFCCVEGCSA-N 320.397 -0.017 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC[C@H]1CNC(=O)CNC(=O)C1CC1 1754473120 GXENUZDJTDSWSY-YPMHNXCESA-N 322.409 -0.606 30 20 DBED CCOc1nc(C(=O)N(C)C2CN(CC(=O)NCC#N)C2)co1 1754576997 HSZDZXMQHVIEIJ-UHFFFAOYSA-N 321.337 -0.531 30 20 DBED Cc1ocnc1C(=O)N1C[C@@H](C)[C@@H](NCC(=O)NCC#N)C1 1755106205 YGVHWYTXANNOCV-KOLCDFICSA-N 305.338 -0.327 30 20 DBED COCC#CCNCC1(O)CCN(C(=O)c2nc[nH]n2)CC1 1755155288 XQNZOYANPKXPGP-UHFFFAOYSA-N 307.354 -0.989 30 20 DBED CCn1cnc(C(=O)N2CC[C@@H](NCC(=O)NCC#N)[C@@H]2C)c1 1755663765 OCHSHCONJLZMJL-NWDGAFQWSA-N 318.381 -0.265 30 20 DBED COCC#CCN[C@H]1C[C@@H](C)N(C(=O)c2c[nH]c(C(N)=O)c2)C1 1755694874 WRZCTZZQODGXJD-YPMHNXCESA-N 318.377 -0.044 30 20 DBED N#CCSCC(=O)NC[C@H](CO)NC(=O)[C@H]1CCCO1 1756503242 CZYYFUSNSOPNOX-NXEZZACHSA-N 301.368 -0.985 30 20 DBED C=C(C)CCC(=O)N[C@@H]1CN(C(=O)c2nccnc2N)C[C@H]1O 1757003450 OFBUFEWRBLVSLB-GHMZBOCLSA-N 319.365 -0.283 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H]1CCN(C(=O)CC(=O)NC)[C@@H]1CC 1757442218 CJCBZWVDXZSJDT-RWMBFGLXSA-N 323.393 -0.344 30 20 DBED CN(C(=O)N[C@@H](CCC#N)C(=O)O)[C@@H]1CCS(=O)(=O)C1 1777022004 CYUDGJHKNHTJEE-BDAKNGLRSA-N 303.340 -0.428 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1csc(N)n1)CCO2 1783049475 AKJAGEZFIHWHJJ-CQSZACIVSA-N 320.374 -0.198 30 20 DBED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)NC(C)=O)C[C@@H]21 1790793618 RTPVPENQCRYGRD-PYJNHQTQSA-N 321.377 -0.876 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cn(C)cn1 1794905458 MWTCCIARUSFRSD-GNXNZQSNSA-N 302.334 -0.744 30 20 DBED N#CCC(=O)NC[C@H]1CCN(C(=O)CN)[C@H]1c1cccnc1 1806279499 MDXOUZHWFZUJPK-DOMZBBRYSA-N 301.350 -0.040 30 20 DBED C=CCC(=O)N1CC2(CCCN2C(=O)CN2CCNC2=N)C1 1842910803 POIKQWUOVQKYCF-UHFFFAOYSA-N 305.382 -0.394 30 20 DBED CCN(C[C@@H](C)C#N)C(=O)CN1CCN(C(=O)[C@H](C)O)CC1 152919968 LYCZPNVDMIUMMT-STQMWFEESA-N 310.398 -0.480 30 20 DBED C[N+]12CC(=O)O[B-]1(c1cc(C(F)(F)F)ccn1)OC(=O)C2 261507011 DLIDRBHWXWJXDT-UHFFFAOYSA-N 302.017 -0.194 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC2(CN)CCCC2)C1=O 262604135 RXPONJDWRIZWFR-UHFFFAOYSA-N 308.338 -0.649 30 20 DBED C=CCNC(=O)CNC(=O)NC1CCN([C@@H]2CCC[C@@H]2O)CC1 271937306 ASAVDICVYURBOS-KGLIPLIRSA-N 324.425 -0.034 30 20 DBED CCOC(=O)CO/N=C(/C(=O)N1CCC(O)CC1)c1cc[nH]n1 276613736 PUDWKJVLGNZPAF-GHRIWEEISA-N 324.337 -0.323 30 20 DBED Cn1c(NCc2ncnn2C(C)(C)C)c(C#N)c(=O)n(C)c1=O 283647398 WPALZUBDYGJCAU-UHFFFAOYSA-N 317.353 -0.086 30 20 DBED C=C[C@@H](CO)NC(=O)N[C@@H]1CCN(c2cc(C)nn2C)C1=O 291131495 WHPPHESNJBEEDG-WDEREUQCSA-N 307.354 -0.320 30 20 DBED CNS(=O)(=O)c1cc(/C(O)=N/[C@H]2CC(=O)N(C)C2)co1 330468826 YWEMVNPLLOYUSI-QMMMGPOBSA-N 301.324 -0.277 30 20 DBED C[C@H](N/C(O)=N/CCNS(C)(=O)=O)[C@H](C)N1CCOCC1 330632578 IFQKBNILGGABBI-QWRGUYRKSA-N 322.431 -0.852 30 20 DBED CC(C)N1C[C@H](N/C(O)=N/CC(=O)N2CCOCC2)CC1=O 330681185 OMTVDXFSCKYFJZ-LLVKDONJSA-N 312.370 -0.642 30 20 DBED CCN(CCC#N)S(=O)(=O)N[C@@H](C)CCS(C)(=O)=O 336939091 HXUOWUBWJLYEOH-JTQLQIEISA-N 311.429 -0.120 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1C[C@H](CO)OC[C@H]1C 336940590 JCHPDMXKASEODW-VXGBXAGGSA-N 321.399 -0.825 30 20 DBED CC(C)OC(=O)[C@H](C)N(C)S(=O)(=O)N1CCO[C@@H](C#N)C1 336948074 QBWYYIHUZACOHR-QWRGUYRKSA-N 319.383 -0.273 30 20 DBED COCCN(CCC#N)S(=O)(=O)NC[C@@H](O)[C@@H]1CCOC1 337089753 ITOQWWVLNWJUKW-VXGBXAGGSA-N 321.399 -0.920 30 20 DBED CC(C)OC(=O)[C@H](C)CNS(=O)(=O)N1CCO[C@H](C#N)C1 337106279 ZVNXSHZVBMKZMW-GHMZBOCLSA-N 319.383 -0.367 30 20 DBED C=C[C@@H](CO)NS(=O)(=O)C1CN(C(=O)C2CCCC2)C1 349782679 JSAUWRBFXQINKE-NSHDSACASA-N 302.396 -0.146 30 20 DBED Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC(=O)NCC#N 352538124 FSOABHUVUQMXAX-UHFFFAOYSA-N 312.307 -0.179 30 20 DBED C=CCn1cc(CNS(=O)(=O)C[C@H](C)C(=O)OC)nn1 425177953 JFRMSSYJXHGBKA-VIFPVBQESA-N 302.356 -0.307 30 20 DBED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)NCCCNC(C)=O 430385243 IHHCEFQETDUIJF-CHWSQXEVSA-N 311.382 -0.274 30 20 DBED C=CCOC[C@@H](NC(=O)CNc1ccc(C#N)cn1)C(=O)OC 435944414 SJZKWVADFPQGJF-GFCCVEGCSA-N 318.333 0.226 30 20 DBED CC(C)[C@@H](C#N)N1CCN(C(=O)CN(C)C(C)(C)C(N)=O)CC1 451137125 SJEJTCUOMYWISD-CYBMUJFWSA-N 323.441 -0.126 30 20 DBED C#CCN1CCN(C(=O)CN2CCC[C@H](n3ccnn3)C2)CC1 491554739 LTCRJUPXUCAXJZ-HNNXBMFYSA-N 316.409 -0.308 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)N2CC[C@H](CO)[C@H](O)C2)cc1 546697474 KDKBTKSHLQAQIH-ZIAGYGMSSA-N 317.345 -0.510 30 20 DBED CN(CCCc1[nH]nc(N)c1C#N)C[C@H](O)Cn1cccn1 551462481 GLADFCQPRIOKLD-NSHDSACASA-N 303.370 -0.014 30 20 DBED N#Cc1cccc(NC(=O)C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)n1 566204314 RZZVTAHSKKPKAH-SNVBAGLBSA-N 313.317 -0.229 30 20 DBED C[C@H]1CN(CCNS(=O)(=O)c2cccnc2C#N)CCO1 583541730 JFWSZIFDEUMUPE-NSHDSACASA-N 310.379 -0.048 30 20 DBED CCN(C[C@H](C)C#N)C(=O)CN1C[C@@H](C(=O)OC)C[C@@H](O)C1 592194977 GLFHMZNENAGZTP-FRRDWIJNSA-N 311.382 -0.150 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H]1C(=O)NCC1(C)C 595351747 NQVGMAHWAWCSEM-ZJUUUORDSA-N 302.400 -0.173 30 20 DBED COCCN(C)CCN1C[C@H](N=c2cc[nH]c(C#N)n2)CC1=O 601178265 NGEXPRPYNYXUJV-GFCCVEGCSA-N 318.381 -0.639 30 20 DBED CCN(C[C@@H](C)C#N)C(=O)COC(=O)C1CC(=O)NC(=O)C1 726817978 JVYZYJZNPYIAMT-VIFPVBQESA-N 309.322 -0.409 30 20 DBED C=CCN1C(=O)C(=O)N(CCCS(=O)(=O)CCOC)C1=O 741474611 OJPMMDBPYGBLAE-UHFFFAOYSA-N 318.351 -0.586 30 20 DBED C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)n1ncc(C#N)c1N 755735678 MTUPUIOMORTXPK-ZETCQYMHSA-N 323.338 -0.922 30 20 DBED CCNS(=O)(=O)[C@H]1CCN(Cn2cccc(C#N)c2=O)C1 758247194 GUKMMJGHASZMHF-LBPRGKRZSA-N 310.379 -0.309 30 20 DBED CS(=O)(=O)N1CCC[C@@H]1C(=O)NS(=O)(=O)CCCC#N 776116846 ADFCMODSUNNCEJ-SECBINFHSA-N 323.396 -0.840 30 20 DBED Cn1cnn(CC(=O)OCC(=O)Nc2ccc(C#N)cc2)c1=O 781265356 YVJVEDZZOAAKBP-UHFFFAOYSA-N 315.289 -0.365 30 20 DBED CC(C)(O)CCNC(=O)C(=O)NCCNc1ncccc1C#N 787776582 WBBUWGJMPFAUQQ-UHFFFAOYSA-N 319.365 -0.241 30 20 DBED CCOC(=O)c1cc(C=NNC(=S)NCC(N)=O)[nH]c1C 799480230 QMFBUYUTISGBDB-UHFFFAOYSA-N 311.367 -0.217 30 20 DBED C=C(C)CN(CC)C(=O)COC(=O)Cn1ccc(O)nc1=O 804553129 KGKJSQYFIXEQNK-UHFFFAOYSA-N 309.322 -0.083 30 20 DBED CN1C(=O)CC[C@H]1C(=O)NS(=O)(=O)c1cncc(C#N)c1 813984088 KFMQQAKSZJGDIN-JTQLQIEISA-N 308.319 -0.621 30 20 DBED C#CCn1c(=C(C#N)C#N)sc(=Cc2c[nH]c(C(=O)O)c2)c1=O 833368512 PMRUGCMGBLPPGV-UHFFFAOYSA-N 324.321 -0.404 30 20 DBED Cn1c(=O)c2nc(COC(=O)C#CC3CC3)[nH]c2n(C)c1=O 838368705 FIIRFSHPICRWKF-UHFFFAOYSA-N 302.290 -0.583 30 20 DBED CON=Cc1ccc(C(=O)NS(=O)(=O)CC(=O)OC)cc1 838804392 UKFGEDZIJSYTBY-UHFFFAOYSA-N 314.319 -0.101 30 20 DBED C=C(Br)CNC(=O)NCC(=O)N1CCNCC1 841745195 NLCZYYUFDAAEHO-UHFFFAOYSA-N 305.176 -0.374 30 20 DBED C=C(CN(C)C)C(=O)N1CCC(NS(=O)(=O)NC)CC1 846055031 CAZBIIVGPLLJNO-UHFFFAOYSA-N 304.416 -0.851 30 20 DBED C=C(C)CNC(=N)NCCN1CCN(S(C)(=O)=O)CC1 848995814 WPMQTUUAWGNHBP-UHFFFAOYSA-N 303.432 -0.746 30 20 DBED CCOC(=O)[C@@H](CC(=O)N[C@@H]1CCCN(O)C1=O)C(C)=O 854648199 ABPYVTHBRHVQOX-VHSXEESVSA-N 300.311 -0.359 30 20 DBED CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)COc1cccc(C#N)c1 855476300 MVNWLZOJFMPKOT-CHWSQXEVSA-N 324.358 -0.135 30 20 DBED COC(=O)CC(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 907663897 NERVIZFACHQRBK-UHFFFAOYSA-N 305.338 -0.188 30 20 DBED CN(C)CC#CCNC(=O)c1ccc2c(c1)NC(=O)CNC2=O 913522734 WQLFYLOZFZXHDI-UHFFFAOYSA-N 314.345 -0.337 30 20 DBED Cc1c(C(=O)N2CCCN(C(=O)[C@H](C)C#N)CC2)nnn1C 940586593 CDIMMUFPPBDOSD-SNVBAGLBSA-N 304.354 -0.042 30 20 DBED Cn1cc(C(=O)N[C@@H]2CCN(C(=O)C#CC3CC3)C2)n(C)c1=O 941118674 WNYAPMFRSYCTLV-GFCCVEGCSA-N 316.361 -0.532 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](NC(=O)C(C)(C)N2CCOCC2)C1 941571079 QUUIKOQNQQFSJZ-QWHCGFSZSA-N 322.409 -0.026 30 20 DBED C=CCCN1CC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)[C@H](C)C1 945179408 IJPABYAXXYMCHJ-VXGBXAGGSA-N 320.397 -0.220 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2CCN(C(=O)C(N)=O)C[C@H]2C)c1 945490297 MCJDXOJOTBPZBE-ZWNOBZJWSA-N 314.345 -0.485 30 20 DBED O=C(CN1CCOCC1)NC1CCN(C(=O)C#CC2CC2)CC1 946690747 UYWHHXDDCPXKCP-UHFFFAOYSA-N 319.405 -0.161 30 20 DBED C#CCN1C[C@H]2CCN(C(=O)[C@H]3CN(C)C(=O)N3)CC[C@H]2C1 946714213 JOMFSHFWPPGRNW-HZSPNIEDSA-N 304.394 -0.186 30 20 DBED N#CCN1C[C@H]2CCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)CC[C@H]2C1 946800997 VLOOUMXJHFSODL-TUAOUCFPSA-N 319.365 -0.722 30 20 DBED O=C1NCC[C@H]1NCC1(O)CCN(C(=O)C#CC2CC2)CC1 946922109 LIEVBXLNCILSEH-CYBMUJFWSA-N 305.378 -0.769 30 20 DBED CC[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)CC[C@@H]1NC(=O)C(N)=O 948384682 KUERTJUPGLJBLC-ONGXEEELSA-N 317.349 -0.271 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)[C@H]1CCCN(CC(N)=O)CC1 948449344 QSROKACXRLXMAK-GJZGRUSLSA-N 320.437 -0.118 30 20 DBED Cn1nnc(C(=O)N2CCOC3(CCN(CC#N)CC3)C2)n1 949162348 VXEGXVBAQZPLHJ-UHFFFAOYSA-N 305.342 -0.959 30 20 DBED N#Cc1cc(C(=O)NC[C@H]2CCN2C(=O)[C@H]2CCNC2=O)c[nH]1 949485304 CHZUWWRIVKYYHC-NEPJUHHUSA-N 315.333 -0.647 30 20 DBED C[C@@H](NC(=O)c1c[nH]c(C#N)c1)[C@H]1CCCCN1C(=O)C(N)=O 953650106 XYCWLNJEBLWSRQ-BXKDBHETSA-N 317.349 -0.129 30 20 DBED C[C@H]1CC(=O)N[C@@H](C(=O)N(C)C2CN(C(=O)[C@H](C)C#N)C2)C1 954400712 DEBRVNDOJGKDHU-CKYFFXLPSA-N 306.366 -0.270 30 20 DBED C=CCN1CC[C@H](N2CCN(C(=O)[C@@H]3CCOC3)CC2)C1=O 957056794 HSPHXZMXJKFEAP-KGLIPLIRSA-N 307.394 -0.046 30 20 DBED N#CCN1C[C@@H](O)[C@@H](CNC(=O)c2nc[nH]c2C(F)(F)F)C1 958139699 OCCWOTFREHADLE-JGVFFNPUSA-N 317.271 -0.025 30 20 DBED C=CCCN1C[C@H](O)[C@H](CNC(=O)c2cnc3[nH]nnc3c2)C1 958149456 SXPKGMGKEMKSQA-YPMHNXCESA-N 316.365 -0.049 30 20 DBED C#CCCN1C[C@@H](O)[C@@H](CNC(=O)c2cnc3nccn3c2)C1 958254966 UABWEUWCGANNOB-GXTWGEPZSA-N 313.361 -0.225 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cnn(C)n1 960633580 DDIWBYYBCOXRPG-ADEWGFFLSA-N 318.337 -0.973 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)Cn1cnnn1 963520960 QCVGJXJUAPWMCE-UTUOFQBUSA-N 317.353 -0.575 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)[C@@H]3CCCC(=O)N3C)[C@H]2C1 976974758 NFDMLXWTISOWQM-JLDUMIBSSA-N 318.377 -0.270 30 20 DBED C=C(C)C(C)(C)C(=O)N1C[C@H]2[C@H](NC(=O)c3nnn(C)n3)[C@H]2C1 976993770 JQJBRBFQVNTAAR-URLYPYJESA-N 318.381 -0.001 30 20 DBED C#Cc1cncc(C(=O)NC[C@H]2[C@@H]3CN([C@H]4CCNC4=O)C[C@H]23)c1 978704702 YJXWAOMFPAVCSU-JONQDZQNSA-N 324.384 -0.141 30 20 DBED N#CCN1C[C@H]2[C@H](CNC(=O)[C@@H]3CCCCN3C(N)=O)[C@H]2C1 978950582 OAIKENMSQXHFBD-RVMXOQNASA-N 305.382 -0.263 30 20 DBED C=CCN1C[C@H]2[C@H](CNC(=O)[C@H]3COCCN3C(C)=O)[C@H]2C1 979092456 POWJSWIYLXVOCC-APIJFGDWSA-N 307.394 -0.286 30 20 DBED C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2ccc(S(N)(=O)=O)o2)C1 989096675 YROVQJHFIZKLMK-NXEZZACHSA-N 311.363 -0.247 30 20 DBED C=CCN[C@@H]1C[C@H](C)N(C(=O)c2cn(CC(=O)N(C)C)nn2)C1 989832653 VIAZFOZGFIBJSD-NWDGAFQWSA-N 320.397 -0.255 30 20 DBED C#Cc1ccc(C(=O)N2CC(NC(=O)c3cn(C)nn3)C2)cn1 991156681 UVBKENMUOQNAOC-UHFFFAOYSA-N 310.317 -0.554 30 20 DBED Cn1nccc1C(=O)N[C@H]1CCN(C(=O)C#CC2CC2)C[C@H]1O 991322333 AXQSLPMPTNXRKP-GXTWGEPZSA-N 316.361 -0.475 30 20 DBED C[C@H]1[C@@H](NC(=O)CN2CCC(=O)NC2=O)CCCN1CC#N 994170131 UWMZKLHKVWLWGL-QWRGUYRKSA-N 307.354 -0.579 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)c2cnn(C)n2)C1 995707891 BHAVZPSOYSALPM-PWSUYJOCSA-N 305.338 -0.653 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)Cc3nc[nH]n3)C2)cn1 997102515 SJDOXLPTWZETLN-UHFFFAOYSA-N 310.317 -0.636 30 20 DBED C#Cc1ccc(C(=O)N2CC(NC(=O)[C@@H]3CCC(=O)N3)C2)cc1 997119026 KQAIQBJEJKNCCG-AWEZNQCLSA-N 311.341 -0.113 30 20 DBED C[C@@H](NC(=O)C1CS(=O)(=O)C1)C1CN(C(=O)C#CC2CC2)C1 1006146886 VQBFAKKXCPCSNX-SNVBAGLBSA-N 324.402 -0.593 30 20 DBED CC(=O)N1CCO[C@@H](C(=O)N(C)C2CCN(CC#N)CC2)C1 1006360621 GWXYWEFBYKHHRS-CQSZACIVSA-N 308.382 -0.320 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1[C@@H]2CN(C(=O)C(N)=O)C[C@H]12 1009109136 ZYGOWLSDBCHEJV-NWBUJAPZSA-N 321.377 -0.727 30 20 DBED C[C@H]1CC(=O)N[C@@H](C(=O)N2CCN(C(=O)C#CC3CC3)CC2)C1 1011111263 ILBYTZMVKUJMMJ-TZMCWYRMSA-N 317.389 -0.015 30 20 DBED C#Cc1ccc(C(=O)NC2[C@H]3CN(C(=O)c4nc[nH]n4)C[C@H]23)nc1 1013508426 LJMQMPFHRYHAGX-QWRGUYRKSA-N 322.328 -0.319 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCN(CCn3cncn3)C2)nn1 1015810468 JLHUARFSWHMQAF-LBPRGKRZSA-N 316.369 -0.440 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC2(CN(C(=O)C(N)=O)C2)C1 1019359068 LXZFDOWRCSFQES-NEPJUHHUSA-N 321.377 -0.486 30 20 DBED N#CCN1CCC[C@H]1CNC(=O)[C@@H]1CN2CC3CC2(CO1)C3 1028037041 MEOPWLZXPHXOKW-WJEHIRDRSA-N 304.394 -0.046 30 20 DBED C#CCN1CCC2(CCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)CC2)C1 1035231194 JIVJEPFGLXDLST-LBPRGKRZSA-N 318.377 -0.468 30 20 DBED C#CCCN1CCO[C@H](CNC(=O)c2ccoc2CC(N)=O)C1 1035485696 TYIVFDGIEVPZMC-GFCCVEGCSA-N 319.361 -0.239 30 20 DBED C=CCN1CCO[C@@H](CNC(=O)c2nc3ncccn3n2)C1 1035548996 DKSFWGUCKVTSKD-NSHDSACASA-N 302.338 -0.259 30 20 DBED C#CCN1CC[C@H]2CN(C(=O)c3cnc(O)n(C)c3=O)CC[C@@H]21 1036789951 ACCLNXXKMJDZPP-AAEUAGOBSA-N 316.361 -0.345 30 20 DBED C=CCN1CC[C@@H]2CN(C(=O)CN3C(=O)CNC3=O)CC[C@@H]21 1036888435 IVFMQFHFJPUETP-NEPJUHHUSA-N 306.366 -0.353 30 20 DBED C[C@@H]1CCN(C(=O)CC(N)=O)C[C@H]1CN=c1cc[nH]c(C#N)n1 1039854282 DQXPSYVEULZTEB-GHMZBOCLSA-N 316.365 -0.458 30 20 DBED C#CCN1[C@H]2CCC[C@H]1CN(C(=O)c1cn(C)c(=O)nc1O)C2 1039998997 IWQYVOJONRIXRC-RYUDHWBXSA-N 316.361 -0.202 30 20 DBED C#CCN1CCC[C@@]2(CCN(C(=O)C3CS(=O)(=O)C3)C2)C1 1040221386 RUQKHRLMIJMEJB-OAHLLOKOSA-N 310.419 -0.021 30 20 DBED Cc1nnccc1C(=O)NC[C@]1(O)CCN(C(=O)[C@H](C)C#N)C1 1040397415 UDSAOQJKORUKLJ-MEBBXXQBSA-N 317.349 -0.362 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)COCCCC)C1 1042198457 SMUCQBRWEIDIJH-UHFFFAOYSA-N 314.382 -0.305 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)[C@@H]2CC2(C)C)C1 1042601704 XUDMVDKLBTVMMX-RYUDHWBXSA-N 308.378 -0.240 30 20 DBED C#CCCCCC(=O)NCC1(O)CN(C(=O)Cc2ncc[nH]2)C1 1042658440 IYVUMOBIDLKJON-UHFFFAOYSA-N 318.377 -0.165 30 20 DBED O=C(C#CC1CC1)NCC1(O)CN(C(=O)[C@@H]2C[C@H]3C=C[C@H]2O3)C1 1042963824 WNNOTOKLOXKSFS-MGPQQGTHSA-N 316.357 -0.567 30 20 DBED C=C(C)CCC(=O)NCC1(O)CN(C(=O)[C@H]2CCC(=O)N2C)C1 1043319867 LAWJWGGDLWIESC-GFCCVEGCSA-N 323.393 -0.347 30 20 DBED N#Cc1cnc(N2C[C@H](O)[C@H](NC(=O)[C@@]3(F)CCOC3)C2)cn1 1044426777 QEDQMRVBDDTTEI-UHIISALHSA-N 321.312 -0.857 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)c2cnc3n2CCC3)C1 1045565407 WHSKFOUBWCGLCQ-SNVBAGLBSA-N 317.349 -0.708 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cn(C)c(C)cc2=O)C1 1047418091 AAYGUEQDRQHXBI-ZFWWWQNUSA-N 305.378 -0.003 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCCN(C)C2=O)C1 1047593603 OOTZKUCSXFOSEU-RDBSUJKOSA-N 307.394 -0.618 30 20 DBED C[C@@H](NCc1nnn(C)n1)[C@@H]1CCN(C(=O)C#CC2CC2)C1 1047850586 ZRTXXONBRBBFMQ-DGCLKSJQSA-N 302.382 -0.050 30 20 DBED C=CCOCC(=O)N[C@@H](C)[C@H]1CCN(C(=O)c2cnnn2C)C1 1050593899 DIUQYQFTMLWACX-RYUDHWBXSA-N 321.381 -0.016 30 20 DBED Cn1cnc2ccc(C(=O)NC[C@@H]3COCCN3CC#N)nc21 1051119553 ZRRQWGFXCIETRI-LLVKDONJSA-N 314.349 -0.078 30 20 DBED CC#CCN1CCOC[C@H]1CNC(=O)c1cc(C(N)=O)ccn1 1051274228 VIRPXPRJVWYUJO-CYBMUJFWSA-N 316.361 -0.366 30 20 DBED C#CCN1CCN([C@@H]2CCN(C(=O)c3cnc(O)n3C)C2)CC1 1052060549 HJUNBTXLNGOXGB-CYBMUJFWSA-N 317.393 -0.409 30 20 DBED C[C@H]1CN(C(=O)CC(N)=O)C[C@H]1CNC(=O)CSCC#N 1052259967 UKLYBHWLMOCGDC-VHSXEESVSA-N 312.395 -0.671 30 20 DBED C#CCN1CC2(C1)CN(C(=O)c1ccc(=O)n(C)c1)CCO2 1053326074 PZLHPQLQGROVFF-UHFFFAOYSA-N 301.346 -0.455 30 20 DBED C#CCCN1CC2(CC[C@H](CNC(=O)[C@@H]3CCCNC3=O)O2)C1 1053613349 BLAGYPCINLSRRS-ZIAGYGMSSA-N 319.405 -0.115 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)c3cc(C(N)=O)co3)CO2)C1 1053921532 HQKNRHXQVOQNDA-GFCCVEGCSA-N 317.345 -0.025 30 20 DBED C#CCN1CC[C@@]2(CCCN(C(=O)Cn3cnnc3O)C2)C1 1054118332 GDLLSYFRZGWXLD-HNNXBMFYSA-N 303.366 -0.069 30 20 DBED C=CCOCC(=O)N1C[C@@H]2CN(C(=O)C3(C(N)=O)CC3)C[C@@H]2C1 1055250110 PVLIXNIQLOPFQD-TXEJJXNPSA-N 321.377 -0.629 30 20 DBED N#Cc1cncc(N2CCN(C(=O)c3nccnc3N)CC2)n1 1055753450 KTEFEIOGEAUMBA-UHFFFAOYSA-N 310.321 -0.317 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@]1(CO)CCCN(C(=O)C2CC2)C1 1055947467 QDFBCEMHKRKIEU-LRDDRELGSA-N 308.378 -0.096 30 20 DBED N#Cc1ccc(N[C@@H]2CCN(C(=O)Cn3cnnc3O)C2)cn1 1056608973 DBWZIJAAWIKAHD-GFCCVEGCSA-N 313.321 -0.037 30 20 DBED C=C(C)C[C@@H](C)C(=O)NCCN(CCO)C(=O)CNC(N)=O 1056919199 KFYGIWHUUJWLGF-LLVKDONJSA-N 314.386 -0.806 30 20 DBED Cc1cnn(CC(=O)N(CCO)CCNC(=O)[C@@H](C)C#N)c1 1057116258 WARHTTUJBVVTER-LBPRGKRZSA-N 307.354 -0.712 30 20 DBED N#Cc1nccnc1N1CCCN(C(=O)Cc2nc[nH]n2)CC1 1057175516 NCNMYXICCLAKFG-UHFFFAOYSA-N 312.337 -0.252 30 20 DBED COC[C@@H](C)C(=O)NCCN(CCO)C(=O)c1ccc(C#N)[nH]1 1057367395 YOPOHAVUUXCURW-LLVKDONJSA-N 322.365 -0.280 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)c1cn(C)nn1 1057493967 JAEQRXHOMWHMGZ-UHFFFAOYSA-N 307.354 -0.975 30 20 DBED C[C@]1(C(=O)N[C@H]2CCN(c3ccnc(C#N)n3)C2)CNC(=O)C1 1058493829 DNEBNIVPMXRPEW-ZUZCIYMTSA-N 314.349 -0.431 30 20 DBED N#Cc1nccc(N2CC[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)n1 1058544695 GZXUYZBTMPVGEJ-BBBLOLIVSA-N 300.322 -0.835 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)c1n[nH]cc1F 1058751791 WIVNPLNAVBMGCS-UHFFFAOYSA-N 310.329 -0.097 30 20 DBED N#Cc1cnc(N2CC[C@H](CNC(=O)[C@H]3CCNC3=O)C2)cn1 1061695661 UMQZZJXLMBRDHB-PWSUYJOCSA-N 314.349 -0.573 30 20 DBED CC#CCCCC(=O)NC[C@@H]1COCCN1C(=O)c1nc[nH]n1 1061790277 FVYBSHMLCZCGJG-GFCCVEGCSA-N 319.365 -0.045 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCOC[C@H]1CNC(=O)c1cnon1 1061803952 DKFADNZISMLRGN-WDEREUQCSA-N 322.321 -0.935 30 20 DBED Cc1ncncc1C(=O)N1CCO[C@H](CNC(=O)[C@H](C)C#N)C1 1064903464 DMXFGOQVURJILI-ZYHUDNBSSA-N 317.349 -0.098 30 20 DBED C#CCOCCC(=O)NC[C@H]1CN(C(=O)c2cocn2)CCO1 1064969552 FAYKOLQRXPIHHC-LBPRGKRZSA-N 321.333 -0.328 30 20 DBED Cc1c[nH]nc1C(=O)N1CCO[C@@H](CNC(=O)[C@@H](C)C#N)C1 1065133152 PCKMMAIPGJKPFM-ONGXEEELSA-N 305.338 -0.165 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)[C@H](C)CC(N)=O)CCO1 1065419529 BWFAEUVYUVURCD-NEPJUHHUSA-N 311.382 -0.192 30 20 DBED C[C@H](N=c1cc[nH]c(C#N)n1)[C@H]1CCN(C(=O)c2cnn[nH]2)C1 1065784644 BYDLUHFLYHNSNE-UWVGGRQHSA-N 312.337 -0.149 30 20 DBED Cc1cc(C#N)nc(N2C[C@H]3CN(C(=O)c4cnn[nH]4)C[C@H]3C2)n1 1066084783 GJFDNEPSWTVHAU-PHIMTYICSA-N 324.348 -0.017 30 20 DBED C#CCO[C@H](C)C(=O)N1CC2(C[C@@H](NC(=O)C3CC3)CO2)C1 1068641715 GWXKZDQQWCETGV-DGCLKSJQSA-N 306.362 -0.079 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)Cc2nonc2C)C1 1070064571 YAHMUADQVZDZBI-OLZOCXBDSA-N 315.337 -0.813 30 20 DBED N#CCSCC(=O)N1CCC[C@@H](NC(=O)[C@H]2CCNC2=O)C1 1070454796 QKRHYBYXGAFHIW-MNOVXSKESA-N 324.406 -0.514 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)CN4CCOCC4)C[C@@]3(C1)O2 1070786623 JVXKENZBCWPIAD-ZMSDIMECSA-N 319.405 -0.747 30 20 DBED C#CCCN1CCNC(=O)CCN(C(=O)c2cn(C)cn2)CC1 1070956015 GHOIDVISWKWDHE-UHFFFAOYSA-N 317.393 -0.293 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)[C@H]2CO[C@H](C)C2)CC1 1070976617 KENMHLLNBCPCQM-ZIAGYGMSSA-N 307.394 -0.305 30 20 DBED CC(C)[C@H](C(=O)N1CCC(=O)NCCN(CC#N)CC1)N(C)C 1070995924 BCXXELHSSLBUBX-OAHLLOKOSA-N 323.441 -0.253 30 20 DBED C#CCN1CC[C@]2(C1)CN(C(=O)CCn1ccnn1)C[C@H](C)O2 1071159371 LAHLSUKFYNMRCN-HOCLYGCPSA-N 317.393 -0.007 30 20 DBED CO[C@H](C)CC(=O)N1CC(N2CCN(C(=O)[C@@H](C)C#N)CC2)C1 1073597169 RQXKGTPVBBSELY-QWHCGFSZSA-N 322.409 -0.074 30 20 DBED CC(C)C#CC(=O)N1CC[C@@H](NC(=O)Cn2cnnn2)C[C@H]1C 1074808588 RISXJOYACQZJMC-CHWSQXEVSA-N 318.381 -0.172 30 20 DBED C=CCOCC(=O)NCC[C@H](C)NC(=O)CCc1cnn[nH]1 1075919955 JIHOULQDBQLSRK-NSHDSACASA-N 309.370 -0.049 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CN(Cc3cnsn3)C[C@H]2O)c[nH]1 1076907320 KJOAZDBRDNANGA-VXGBXAGGSA-N 318.362 -0.287 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1 1077231264 IXZLYCPHALQXNP-DBIOUOCHSA-N 322.283 -0.873 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCn3ccnc3C2)C1 1077259031 GGMKLTAVJLNRLI-BFHYXJOUSA-N 302.378 -0.370 30 20 DBED C[C@@H](CCNC(=O)[C@H](C)C#N)NC(=O)CN1CCCNC1=O 1078130395 BTGGYZLOVDMALA-MNOVXSKESA-N 309.370 -0.428 30 20 DBED C#CCOCCC(=O)N[C@@H](C)CCNC(=O)c1cn(CC)nn1 1078145917 JGGYTLHIEXLIQJ-LBPRGKRZSA-N 321.381 -0.038 30 20 DBED C#CCCCC(=O)N1CC(N(CC)C(=O)CC(=O)NCC#C)C1 1079644617 MMFALBIKLAMGNW-UHFFFAOYSA-N 317.389 -0.011 30 20 DBED CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)[C@H]2CCC(=O)NC2)C1 1080421934 VOEMADVPALKCQW-MNOVXSKESA-N 306.366 -0.268 30 20 DBED CSCC(=O)NC[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1O 1081238240 ZYKGYCJCYUPQQP-CABZTGNLSA-N 322.390 -0.202 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1081346760 MIMKBNOECIQOFR-UONOGXRCSA-N 306.362 -0.462 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)Cc2ccon2)C[C@H]1O 1081463531 OYMNJXIQLXVTPY-GXTWGEPZSA-N 319.361 -0.188 30 20 DBED CO[C@@H]1CN([C@H](C)C(N)=O)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 1081501035 ZQTCSJMSTDSWRL-GGZOMVNGSA-N 305.338 -0.811 30 20 DBED C=C(C)CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1C[C@H]1C(N)=O 1083194869 PHVVNQCENLLCAX-ZOBORPQBSA-N 307.394 -0.014 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)c2cccc(C(N)=O)c2)C1 1083577950 OJMAUNWVGFLBSA-KGLIPLIRSA-N 301.346 -0.416 30 20 DBED N#CCN1C[C@H]2CC[C@H]1[C@@H]1CN(C(=O)C3CS(=O)(=O)C3)C[C@@H]21 1087359490 XRWNRALVFPWSNF-CABNGKKXSA-N 323.418 -0.277 30 20 DBED C[C@@H](C[C@@H](C)Nc1ccc(C#N)nn1)NC(=O)Cn1cnnn1 1089215403 PLUTZLHSFYPVPY-ZJUUUORDSA-N 315.341 -0.270 30 20 DBED C[C@H](NC(N)=O)C(=O)N1CC[C@H](Nc2cncc(C#N)n2)[C@@H]1C 1090215796 AQULANTYVYXBPQ-QXEWZRGKSA-N 317.353 -0.194 30 20 DBED C#CCCN1CC[C@H](NC(=O)Cn2cc(C3CC3)nn2)[C@H](O)C1 1090318190 GISTUDQSFNBEQT-DZGCQCFKSA-N 317.393 -0.270 30 20 DBED N#CCN1CC[C@H](NC(=O)c2cc3ncccn3n2)[C@@H](O)C1 1090660010 NGQROZLIMLHPET-JQWIXIFHSA-N 300.322 -0.582 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)c2cncc(C(N)=O)c2)[C@H](O)C1 1090820303 PTADKSGWGSBVOU-ZIAGYGMSSA-N 318.377 -0.078 30 20 DBED COCC(=O)N[C@@H]1CN(c2ncc(C#N)cc2Cl)C[C@@H]1O 1091062265 GXRREYDHJKUERG-MNOVXSKESA-N 310.741 -0.081 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(c2ccc(C)nn2)C[C@@H]1O 1091092714 MOHKPOGHUGUXCF-TYNCELHUSA-N 306.366 -0.222 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CN(c2ncc(F)cn2)C[C@@H]1O 1091118282 GPKDDCOWUYSWHQ-WCQGTBRESA-N 310.329 -0.128 30 20 DBED CCC(=O)NCC(=O)N[C@H]1CCN(c2cncc(C#N)n2)[C@@H]1C 1091943612 MCKHGZIVZQVREO-PWSUYJOCSA-N 316.365 -0.042 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@H]2CN(c3ccc(C#N)cn3)C[C@H]12 1093265354 DBXFSCSCVHCVTN-STQMWFEESA-N 323.356 -0.356 30 20 DBED C=C(Cl)CN1CC(OC2CCN(C(=O)C(N)=O)CC2)C1 1093567436 OMNCKINCQJISQI-UHFFFAOYSA-N 301.774 -0.084 30 20 DBED N#Cc1ccc(NCCNC(=O)[C@@H]2CCCS2(=O)=O)nn1 1093670146 PWZVWYFUIJNDAL-JTQLQIEISA-N 309.351 -0.546 30 20 DBED N#Cc1ccc(NCCNC(=O)c2cc(=O)n3[nH]cnc3n2)cn1 1093761651 QZVGGVHSJTUZKD-UHFFFAOYSA-N 324.304 -0.474 30 20 DBED N#Cc1c[nH]ccc1=NCCNC(=O)[C@@H]1CCCCC(=O)N1 1094113217 PWYAXJXDQMNAIM-ZDUSSCGKSA-N 301.350 -0.038 30 20 DBED C[C@H]1CN(C)C[C@H]1C(=O)NCCCN=c1cc[nH]c(C#N)n1 1094796107 IWSKJYFHVXOOEM-NWDGAFQWSA-N 302.382 -0.114 30 20 DBED CN(C)C(=O)CC(=O)N1CCCN(c2cncc(C#N)n2)CC1 1095207427 KOWBWCSBVCRIGU-UHFFFAOYSA-N 316.365 -0.135 30 20 DBED CCNC(=O)CC(=O)N[C@@H]1CCCN(c2ccc(C#N)nn2)C1 1096160876 MSGDYOBZTLCJDT-GFCCVEGCSA-N 316.365 -0.041 30 20 DBED N#Cc1cnccc1N1CCN(CCNC(=O)CC(N)=O)CC1 1096275215 TWTHWGRZIJYDEL-UHFFFAOYSA-N 316.365 -0.933 30 20 DBED C[C@@H](CC(=O)N[C@H]1C[C@H](Nc2cnc(C#N)cn2)C1)NC(N)=O 1097071863 SWHGPUJRMIKACV-GUBZILKMSA-N 317.353 -0.146 30 20 DBED C[C@H](C(=O)N[C@H]1C[C@H](Nc2cnc(C#N)cn2)C1)S(C)(=O)=O 1097113408 RZPFOTNSVHNLGK-OPRDCNLKSA-N 323.378 -0.160 30 20 DBED N#Cc1cncc(NC[C@H]2CCCN(C(=O)CNC(N)=O)C2)n1 1097351786 JZLVUHGOKCTFGX-SNVBAGLBSA-N 317.353 -0.333 30 20 DBED C[C@@H](CNC(=O)C(=O)NCC(F)F)Nc1nccnc1C#N 1098134771 FBFPMUHFHFBJLC-ZETCQYMHSA-N 312.280 -0.354 30 20 DBED C[C@H](CNC(=O)C(=O)NCC(F)F)Nc1ccc(C#N)nn1 1098134778 FGNSHPBJSOMATO-SSDOTTSWSA-N 312.280 -0.354 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCS(=O)(=O)C1)Nc1cncc(C#N)n1 1098136522 IGZXOTKRSDJEQO-UWVGGRQHSA-N 323.378 -0.300 30 20 DBED C=C(C)CNCc1cn([C@H]2CCN(C(=O)CC(N)=O)C2)nn1 1098641347 SAISHVGWAGFJSD-LBPRGKRZSA-N 306.370 -0.407 30 20 DBED C=CCNCc1cn([C@@H]2CCN(C(=O)Cc3nc[nH]n3)C2)nn1 1098761383 DTYLDSODFROZEV-GFCCVEGCSA-N 316.369 -0.312 30 20 DBED C[C@H](CCNC(=O)[C@@H]1CN(C)C(=O)N1)Nc1cnc(C#N)cn1 1099617906 ZTMXIOCUXKOMST-KOLCDFICSA-N 317.353 -0.321 30 20 DBED CN(CCNC(=O)CN1CCCC1=O)c1ccc(C#N)nn1 1099921929 MPMSKFRJLMGSFN-UHFFFAOYSA-N 302.338 -0.477 30 20 DBED CN(CCNC(=O)CNC(=O)C1CC1)c1cncc(C#N)n1 1099997673 CXLOTOCFPLTCTL-UHFFFAOYSA-N 302.338 -0.573 30 20 DBED C=CCN1CC[C@H](NC(=O)CNC(=O)c2ccco2)[C@H](O)C1 1100096564 JHJSZMZOXQGTHY-NWDGAFQWSA-N 307.350 -0.253 30 20 DBED CCC(=O)N[C@@H](C)C(=O)NCCN(C)c1ccc(C#N)nn1 1100377045 KHJWAPYEBMCVRL-JTQLQIEISA-N 304.354 -0.185 30 20 DBED CS(=O)(=O)CC(=O)NC[C@@H]1CCN(c2ccc(C#N)nc2)C1 1100961352 HPXUTHDQRMQQGO-NSHDSACASA-N 322.390 -0.060 30 20 DBED CNC(=O)NCC(=O)NC[C@@H]1CCN(c2cnc(C#N)cn2)C1 1101065694 BVITYRRQKAKYOG-JTQLQIEISA-N 317.353 -0.780 30 20 DBED C=CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)CC(=O)NCC)C1 1101899192 WXJBQHGWXXWQPK-CHWSQXEVSA-N 324.425 -0.501 30 20 DBED CN(CCNc1cncc(C#N)n1)C(=O)c1cc(=O)n(C)cn1 1102023452 VSLKKYZILUXFPP-UHFFFAOYSA-N 313.321 -0.374 30 20 DBED C=CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)c2cnn(C)n2)C1 1102463173 WSTYVZGQAHXCND-VXGBXAGGSA-N 320.397 -0.585 30 20 DBED C#CCCN1C[C@@H](C)[C@H](CNC(=O)CN2C(=O)CCC2=O)C1 1102564358 MRHIODIBFMWOOX-CHWSQXEVSA-N 305.378 -0.157 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CN(c2nccn3nnnc23)CCO1 1104301477 GCDJDBMCOIMLDO-NXEZZACHSA-N 316.325 -1.000 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)[C@H]1CCN(C)C1 1104580824 AOXHEBLIOYKROE-NEPJUHHUSA-N 302.382 -0.019 30 20 DBED CC(=O)N(C)CC(=O)NC[C@H](N=c1cc[nH]c(C#N)n1)C(C)C 1105140418 ZGSUBWIHEFITTH-LBPRGKRZSA-N 318.381 -0.199 30 20 DBED N#Cc1nccnc1NC[C@@H](O)CNC(=O)C[C@H]1CCCO1 1105718823 RSCGEWDQDCWNNG-WDEREUQCSA-N 305.338 -0.194 30 20 DBED Cc1cc(CC(=O)NC[C@H](O)CN=c2cc[nH]c(C#N)n2)no1 1105765871 IQFARZNZNYRDOW-LLVKDONJSA-N 316.321 -0.802 30 20 DBED Cn1ccc(C(=O)NC[C@@H](O)CNc2cncc(C#N)n2)c1 1105791931 HPFMWIMQMXJGGD-LBPRGKRZSA-N 300.322 -0.110 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)[C@@H](C)COC)C[C@H]1C 1105933580 GJKQPUVQJLJTFI-HZSPNIEDSA-N 309.410 -0.298 30 20 DBED N#Cc1cccnc1NC[C@H](O)CNC(=O)[C@H]1CCCNC1=O 1105998717 FBWNPJDHAQOUIB-RYUDHWBXSA-N 317.349 -0.632 30 20 DBED Cc1ncn(C)c1C(=O)NC[C@@H](O)CNc1cncc(C#N)n1 1105999864 XEIDTVIADFAEPP-NSHDSACASA-N 315.337 -0.407 30 20 DBED N#Cc1cnc(NC[C@H](O)CNC(=O)[C@]2(F)CCOC2)cn1 1106071750 ALJJPGYBWIEOPE-GWCFXTLKSA-N 309.301 -0.634 30 20 DBED N#Cc1c(F)cccc1NC[C@H](O)CNC(=O)[C@H]1C[C@H]1C(N)=O 1106119126 HDMIGROZVUIKSQ-AEJSXWLSSA-N 320.324 -0.292 30 20 DBED C[C@@H]1OCCO[C@@H]1C(=O)NC[C@@H](O)CNc1ccc(C#N)nn1 1106160729 FJSOOBHLQJGJAK-GAFUQQFSSA-N 321.337 -0.959 30 20 DBED C[C@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)C[C@@H]1CCC(=O)N1 1106376458 ZPAUXUPRJSYJRP-MNOVXSKESA-N 316.365 -0.254 30 20 DBED C[C@H](CCNc1ccc(C#N)nn1)NC(=O)Cn1ncnn1 1106454336 ITIPURYTLACMEU-SECBINFHSA-N 301.314 -0.658 30 20 DBED C[C@@H](C#N)C(=O)NC[C@]1(C)CN(CCNC(=O)C2CC2)CCO1 1107820963 GXCNFDCFRFAEFP-BLLLJJGKSA-N 322.409 -0.121 30 20 DBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C1CCOCC1 1108848161 HEDULFXCAMVCFB-RDBSUJKOSA-N 320.393 -0.226 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H](C)NC(N)=O 1109196685 GXFASDWHQRMAMW-RNJOBUHISA-N 308.382 -0.586 30 20 DBED CN1CCOC[C@H]1C(=O)NCC1(Nc2cnc(C#N)cn2)CC1 1110110121 BIYFKMJHUIUKCH-LBPRGKRZSA-N 316.365 -0.260 30 20 DBED C#CCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)N1CCC1 1110553371 MEWRWYWICKLKLD-KFWWJZLASA-N 319.405 -0.020 30 20 DBED CC(=O)N[C@H](C)C(=O)N[C@@]1(C)CCN(c2cnc(C#N)cn2)C1 1110717184 QSAYOKQAGMCPRZ-BMIGLBTASA-N 316.365 -0.042 30 20 DBED COCC(=O)N(C)[C@H]1CN(c2nc(C)ccc2C#N)C[C@@H]1O 1111168960 WADMSGIJFWTAHL-STQMWFEESA-N 304.350 -0.084 30 20 DBED CNC(=O)CC(=O)N1C[C@@H]2CN(c3cncc(C#N)n3)C[C@@H]2C1 1111293111 WLNFPBPQJYBWAW-PHIMTYICSA-N 314.349 -0.621 30 20 DBED CC(=O)NCC(=O)N[C@H]1CCCN(c2nccnc2C#N)CC1 1111965089 RFTLOOWZKKKILK-LBPRGKRZSA-N 316.365 -0.041 30 20 DBED N#Cc1nccc(N2CCC[C@H](NC(=O)CC(N)=O)CC2)n1 1111977831 NSKDWIDOZBLXPT-JTQLQIEISA-N 302.338 -0.301 30 20 DBED C=CCCC(=O)N1CCN(CC(=O)N[C@H](C)C(=O)N(C)C)CC1 1112690483 HMMINHQNZAFIEK-CYBMUJFWSA-N 324.425 -0.310 30 20 DBED CCc1nc(C#N)cc(N2C[C@H](O)[C@H](CNC(=O)COC)C2)n1 1112693107 XATVONUVFHJXFQ-PWSUYJOCSA-N 319.365 -0.530 30 20 DBED CNC(=O)CC(=O)NC[C@@H]1CN(c2ncccc2C#N)C[C@H]1O 1112709610 MADZIANWPGPDKH-VXGBXAGGSA-N 317.349 -0.997 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)[C@@H](C)N=c1cc[nH]cc1C#N 1112979275 UXGZXYADWFPKOR-NEPJUHHUSA-N 313.361 -0.180 30 20 DBED CCCn1cc(C(=O)N2CCN(CC(=O)NCC#N)CC2)cn1 1113389737 OUCIAVFKHRFJSY-UHFFFAOYSA-N 318.381 -0.309 30 20 DBED Cc1ncc(C(=O)N2CCN(CC(=O)NCC#N)CC2)c(C)n1 1113440662 IDTQOTJKNRHDSK-UHFFFAOYSA-N 316.365 -0.509 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)c2cnoc2C2CC2)CC1 1113487045 LKTUKUKAXYXFQA-UHFFFAOYSA-N 317.349 -0.050 30 20 DBED C[C@@H](C(=O)N1CCN(CC(=O)NCC#N)CC1)c1cccnc1 1113548822 PLUKXSVKUMKGIZ-CYBMUJFWSA-N 315.377 -0.031 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)N1CCN(C[C@@H](C)O)CC1 1113684036 KGUCFSXJCRONAJ-GFCCVEGCSA-N 312.414 -0.225 30 20 DBED Cc1ccc(C#N)c(N(C)[C@H](C)CNC(=O)Cn2ncnn2)n1 1113723662 RPGVQYSEFIEQEG-LLVKDONJSA-N 314.353 -0.111 30 20 DBED C[C@H]1CCN(c2ccc(C#N)nc2)C[C@@H]1NC(=O)CNC(N)=O 1113998475 YLVGYMDWJBIXGX-GWCFXTLKSA-N 316.365 -0.047 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)[C@H]3C[C@@H]3C(F)F)[C@@H]2C1 1114203257 APGHGWOFKVFBQU-UKKRHICBSA-N 311.332 -0.317 30 20 DBED C=CCOCCN1C[C@H]2[C@H](NC(=O)c3cn(C)c(=O)cn3)[C@H]2C1 1114590246 OAOCJYGKFPZBAX-JYAVWHMHSA-N 318.377 -0.357 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)C3(CCF)CC3)[C@H]2C1 1114613895 TYDWZADHJSQHCO-RYUDHWBXSA-N 307.369 -0.078 30 20 DBED C#CCOCCNC(=O)C(=O)NCc1cccc(C(=O)NC)c1 1117043413 SOWPBTLKAHGUKY-UHFFFAOYSA-N 317.345 -0.572 30 20 DBED C[C@@H](CN(C)C(=O)[C@@H]1CNC(=O)N1)Nc1nccnc1C#N 1120634657 NXBIDTUAXYKZPI-WPRPVWTQSA-N 303.326 -0.712 30 20 DBED Cn1cccc1C(=O)NC[C@H](CO)Nc1cncc(C#N)n1 1121067255 LOMIJKGGTXDCSA-LLVKDONJSA-N 300.322 -0.110 30 20 DBED CC(=O)NCC(=O)NC[C@H](CO)Nc1snc(C)c1C#N 1121129445 SETLYFPTWHFWTK-SECBINFHSA-N 311.367 -0.652 30 20 DBED N#Cc1ccc(C(=O)NC[C@@H](CO)N=c2cc[nH]cc2C#N)[nH]1 1121317777 REOGKCWTPFTGNC-LBPRGKRZSA-N 310.317 -0.222 30 20 DBED Cc1c(C(=O)NC[C@@H](CO)N=c2cc[nH]cc2C#N)nnn1C 1121404189 CWZXVXRBFUWDLG-NSHDSACASA-N 315.337 -0.985 30 20 DBED CCn1nncc1C(=O)NC[C@H](CO)Nc1ccc(C#N)cn1 1121471672 GIBDGXQSTBYYKI-LLVKDONJSA-N 315.337 -0.233 30 20 DBED N#Cc1nccnc1N[C@H](CO)CNC(=O)c1csc(O)n1 1122429083 GGPZPWMDYDGZKN-ZETCQYMHSA-N 320.334 -0.287 30 20 DBED C[C@@H]1[C@H](C(=O)NC[C@@H](CO)Nc2cncc(C#N)n2)CCN1C 1122751851 BMBYWZHKTFNPDR-KGYLQXTDSA-N 318.381 -0.423 30 20 DBED C#CCN1CCC(OC(=O)CCCN2C(=O)CNC2=O)CC1 1123349439 YAMWDOQHTVMDCL-UHFFFAOYSA-N 307.350 -0.041 30 20 DBED Cc1ncc(C(=O)N(C)C[C@@H](O)CNc2ccc(C#N)nn2)[nH]1 1124207988 ULYCMYUZAPALOR-NSHDSACASA-N 315.337 -0.075 30 20 DBED C[C@H](C#N)C(=O)NCCNCc1nnnn1CC(F)(F)F 1124895433 HKNAMXFELZOLHC-SSDOTTSWSA-N 305.264 -0.399 30 20 DBED CSCC(=O)N(C)C[C@H](O)CN(C)c1cnc(C#N)cn1 1124925833 PTFJYMYLVMNNTN-LLVKDONJSA-N 309.395 -0.033 30 20 DBED C#CCN1CCn2ncc(CNC(=O)[C@@H](COC)OC)c2C1 1128475698 FVQIHRWAGWCQSS-CQSZACIVSA-N 306.366 -0.391 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1c(Cl)n[nH]c1C1CC1 1129195552 ACLVUPCEAONLPJ-UHFFFAOYSA-N 324.772 -0.100 30 20 DBED CCOCC(=O)N1C[C@@H](c2n[nH]c(C)n2)C2(CN(CC#N)C2)C1 1130456141 KMJCTAMORKPZPO-LBPRGKRZSA-N 318.381 -0.099 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)CN2CCCCC2=O)C1=O 1130762515 WJDBMQSQEUIABZ-CYBMUJFWSA-N 322.409 -0.508 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1ccc2c(c1)CCOC2 1131203117 CDHDLEYHUTXAEU-UHFFFAOYSA-N 315.373 -0.172 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)[C@@H](C)NC(C)=O)CC1 1131325590 LZKFCEDVMDWWRY-GFCCVEGCSA-N 310.398 -0.653 30 20 DBED C=C(C)CN(CC)C(=O)CNCCNC(=O)c1cnc(O)n1C 1132367125 NHTVUZPSQJLVAA-UHFFFAOYSA-N 323.397 -0.130 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)CCN(C)C)CC[C@@H]1C 1133090198 DHVOFQJEJAGQMB-LSDHHAIUSA-N 322.453 -0.238 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)CCCN(C)C 1135317351 YBQRDCDSWMIQOQ-KBPBESRZSA-N 310.442 -0.050 30 20 DBED COCC#CCN[C@H](C)C[C@@H](C)NC(=O)CN1CC(=O)NC1=O 1135692269 HSZMKZPAFBCJEZ-VXGBXAGGSA-N 324.381 -0.939 30 20 DBED C=CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)Cc1nc[nH]n1 1135906732 FEWCSNDWUCDWIC-WDEREUQCSA-N 308.386 -0.478 30 20 DBED Cc1nonc1C(=O)N[C@H](C)C[C@@H](C)NCC(=O)NCC#N 1146743309 BEFBOQOKBHDWQG-RKDXNWHRSA-N 308.342 -0.496 30 20 DBED C#CCNC(=O)CN1CCCO[C@@H](CNC(=O)[C@H]2CCCO2)C1 1149090796 VTKPZXGSYGHJEO-UONOGXRCSA-N 323.393 -0.878 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(CC(=O)NC(N)=O)CCCO1 1149673751 QFORNKNDFGVJGT-GFCCVEGCSA-N 324.381 -0.952 30 20 DBED C=CCN1CCCO[C@H](CNC(=O)CN2CCCNC2=O)C1 1149946965 RQRRFEWFWORWJL-CYBMUJFWSA-N 310.398 -0.205 30 20 DBED C#CCN1CCC(C(=O)NCCN[C@H](C)c2nnnn2C)CC1 1152324460 WBJRJTBFNOAFSK-GFCCVEGCSA-N 319.413 -0.678 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)C[C@@H]1CCOC1 1152493754 HSNRZXBYRXCDSQ-OLZOCXBDSA-N 310.398 -0.121 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1cnn2ccncc12 1160010521 JVBRWUPZMDQHDU-UHFFFAOYSA-N 314.349 -0.812 30 20 DBED C#CCNC(=O)CNCCCNC(=O)CCc1cc(C)on1 1166415446 MCDQDVFCJFWJKI-UHFFFAOYSA-N 306.366 -0.239 30 20 DBED CC(C)(C)n1cnc(C(=O)NCCCNCC(=O)NCC#N)n1 1166616415 DZJHELGNFOYRCP-UHFFFAOYSA-N 321.385 -0.618 30 20 DBED COc1cc(CC(=O)NCCCNCC(=O)NCC#N)ccn1 1166714889 PQHRTENFGUAEEF-UHFFFAOYSA-N 319.365 -0.632 30 20 DBED N#CCNC(=O)CNCC1(CCNC(=O)c2n[nH]cc2F)CC1 1167101058 CFHYFZSNVFGOKG-UHFFFAOYSA-N 322.344 -0.322 30 20 DBED C#CCNCC1(CCNC(=O)CN2CC(=O)N(C)C2=O)CC1 1167720077 QCDSSZAENPERSI-UHFFFAOYSA-N 306.366 -0.610 30 20 DBED C=CCNC(=O)CNCCCNC(=O)c1cnc(OC)nc1 1170061287 ZVEOVXTXYGCFGV-UHFFFAOYSA-N 307.354 -0.503 30 20 DBED C#CCNCCCC[C@H](C)NC(=O)CCS(=O)(=O)NC 1170762986 XAQZMYCZUIGZRH-LBPRGKRZSA-N 303.428 -0.177 30 20 DBED C=CCNC(=O)CNCCCNC(=O)c1ccc(N(C)C)nn1 1171430630 NSYDWSWJHPJBNL-UHFFFAOYSA-N 320.397 -0.446 30 20 DBED C=CCCN1CCO[C@H]2CCN(C(=O)CCNC(N)=O)C[C@H]21 1177144194 LIYLWGGXHNTPBP-OLZOCXBDSA-N 310.398 -0.077 30 20 DBED COCC#CCN[C@H]1CCN(C(=O)[C@H]2COCCN2C)[C@H]1C 1178488884 KRLSEPOFPSYDTN-SOUVJXGZSA-N 309.410 -0.454 30 20 DBED C=CCOCC(=O)N1CC[C@@H](CNCc2nnn(C)n2)[C@H](C)C1 1184087756 FMFHHDODAAEFDN-OLZOCXBDSA-N 322.413 -0.013 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)C[C@H]2CCOC2)C1 1185430787 ZXGLAHYMDWUYDY-MGPQQGTHSA-N 307.394 -0.259 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)N1CC[C@@H](NCC(=O)NCC)C1 1186103820 MTKIQCHRPYZSPO-KGLIPLIRSA-N 324.425 -0.216 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2cccnn2)C1 1186521187 XLROWWPRDMODNH-NWDGAFQWSA-N 301.350 -0.581 30 20 DBED Cc1ccc(CC(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)cn1 1187851278 OFYICTHCHHGSLY-CQSZACIVSA-N 315.377 -0.237 30 20 DBED CCN(CCC#N)C(=O)CN(C)[C@H]1CCN(C(=O)COC)C1 1188528672 OCFBJRNDOIGUMO-ZDUSSCGKSA-N 310.398 -0.072 30 20 DBED CN(CC(=O)NCC#N)[C@@H]1CCN(C(=O)CCc2ccon2)C1 1191341525 OLFJKEWLWPYOGA-CYBMUJFWSA-N 319.365 -0.220 30 20 DBED C=CCCN(C)[C@@H]1CCN(C(=O)CNS(=O)(=O)NC)C1 1191543745 RTDNZFAZLZQYKH-LLVKDONJSA-N 304.416 -0.851 30 20 DBED COCC#CCN(C)[C@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 1192332549 JMCXYIVGHSCKND-MELADBBJSA-N 323.393 -0.798 30 20 DBED CC(C)(C)C#CC(=O)N[C@@H]1CN(CC(=O)NCC2CC2)C[C@H]1O 1192871536 SHVORHWPDXUBRN-ZIAGYGMSSA-N 321.421 -0.277 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)c2cc[nH]c2)C1 1193141981 YWUWEMXESIGWRX-RAIGVLPGSA-N 306.366 -0.520 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 1194026117 BBHPIERUZYCETK-CQSZACIVSA-N 306.410 -0.636 30 20 DBED N#CCNC(=O)CN1CCCN(C(=O)c2ccnc(O)c2)CC1 1195472640 IXTUGQXNOPQMOO-UHFFFAOYSA-N 317.349 -0.425 30 20 DBED C[C@H]1COCC[C@@H]1C(=O)N1CCCN(CC(=O)NCC#N)CC1 1197076327 FLXIGKHANHCIIP-KBPBESRZSA-N 322.409 -0.167 30 20 DBED N#CCNC[C@@H]1CN(C(=O)c2ccc(C(N)=O)[nH]2)CCCO1 1201421461 UYFUCMZNWOQMFH-SNVBAGLBSA-N 305.338 -0.542 30 20 DBED CC#CCNC[C@H]1CN(C(=O)C[C@H]2CC(=O)NC2=O)CCCO1 1202251680 UAHOENIMHUKKBU-OLZOCXBDSA-N 321.377 -0.730 30 20 DBED C#CCCN[C@@H]1C[C@@H](NC(=O)CN2CCNC(=O)C2)C12CCC2 1203256900 KCJOPLJJKZCLJK-ZIAGYGMSSA-N 318.421 -0.542 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(CC(=O)NC(=O)NC)C[C@H]1C 1206912284 DIZUODUOQLDLFK-VXGBXAGGSA-N 308.382 -0.318 30 20 DBED CC#CCNCC1CCN(C(=O)CN2C(=O)CN(C)C2=O)CC1 1206917470 HHULYMDUSLBPMN-UHFFFAOYSA-N 320.393 -0.268 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@H]2COCCN2C)C1 1207830164 XKEIHSWBTIJUAE-ZIAGYGMSSA-N 324.425 -0.800 30 20 DBED C=C(C)CN(CC)C(=O)[C@@H](C)N1C[C@@H](NC(=O)C(N)=O)[C@H](C)C1 1208455131 CJDWFLUDUSWLFR-JHJVBQTASA-N 324.425 -0.279 30 20 DBED Cc1ncc(C(=O)N2CCC[C@H](NCC(=O)NCC#N)C2)n1C 1209252560 WYKAYBOAYSBYFG-LBPRGKRZSA-N 318.381 -0.438 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1NC(=O)CNC(=O)c1ccccn1 1211261576 GSAUMQISFKNIRN-DGCLKSJQSA-N 301.350 -0.229 30 20 DBED C#CCCCC(=O)N1C[C@@H](NCC(=O)NC(=O)NC)[C@H](C)C1 1214529346 TYUBVDOLAQIXEJ-VXGBXAGGSA-N 308.382 -0.318 30 20 DBED C#CCOCCC(=O)N1C[C@@H](NCC(=O)N2CCC2)[C@H](C)C1 1214606550 JIOVQPLDMJPLQO-ZIAGYGMSSA-N 307.394 -0.305 30 20 DBED CCC[C@@H](C)C(=O)N1CCO[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1217578939 CIVFSZKMZPOHPE-HZSPNIEDSA-N 322.409 -0.026 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)Cc2cc(C)[nH]n2)C1 1219439335 MVXQRNCMWWZBCU-KGLIPLIRSA-N 306.366 -0.928 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)Cc2ccoc2)C1 1219505952 SKIFHYCJWNUMRH-YUTCNCBUSA-N 319.361 -0.879 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)c2ccncc2C)C1 1219568161 QQXBSHMWPQFPFY-CABCVRRESA-N 303.362 -0.185 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C[C@@H]2C=CCCC2)C1 1219862958 WBIBNEIFWNXTQZ-KFWWJZLASA-N 319.405 -0.357 30 20 DBED CC#CCCCC(=O)N[C@@H]1CN(CCN2CCCC2=O)C[C@@H]1O 1220182891 VFMYHLBKZPGSLX-CABCVRRESA-N 321.421 -0.036 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)[C@H](C)NC(=O)c2ccco2)C1 1221023004 XVTYDPZJWKAIQW-TUAOUCFPSA-N 307.350 -0.255 30 20 DBED Cn1nnc(CN2CCC(CNC(=O)C#CC3CC3)CC2)n1 1223130744 RUVUCCSSKUUAPC-UHFFFAOYSA-N 302.382 -0.048 30 20 DBED C[C@@H]1CCO[C@@H]1C(=O)NCC1CCN(CC(=O)NCC#N)CC1 1224583326 QFJFSSAQONTWPP-DOMZBBRYSA-N 322.409 -0.121 30 20 DBED N#CCNC(=O)CN1CCC(NC(=O)C[C@@H]2CCCO2)CC1 1226188403 ZXEPDOAEQMZBFQ-ZDUSSCGKSA-N 308.382 -0.224 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)CCc2nc[nH]n2)CC1 1226818407 KMCDYFMSUCJPNO-UHFFFAOYSA-N 318.381 -0.933 30 20 DBED N#CCNC(=O)CN1CCC(NC(=O)CCc2ccon2)CC1 1228266057 JXKJTBBWMNOCHL-UHFFFAOYSA-N 319.365 -0.172 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC(NC(=O)[C@@H]2[C@H]3COC[C@H]32)CC1 1228736686 KGCCVPIWTPBMJM-RZFFKMDDSA-N 319.405 -0.403 30 20 DBED N#CCN1CCS(=O)(=O)[C@@H](CCNC(=O)C2(CF)CC2)C1 1230497841 PTOMTOZYOURSBH-NSHDSACASA-N 317.386 -0.135 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)c1ncoc1C 1230947657 FUARHBQYMIYZQY-LBPRGKRZSA-N 304.350 -0.121 30 20 DBED O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CCC[C@H]1CO 1251956164 OLXBIMFTIOCIIE-AGKQBQDBSA-N 308.338 -0.321 30 20 DBED N#C[C@H]1CC[C@@H](NC(=O)C(=O)N2CCC3(CC2)COC(=O)N3)C1 1261450359 YUUDNFSQXHOACW-WDEREUQCSA-N 320.349 -0.104 30 20 DBED N#CCNC(=O)CN1CCC[C@@H](NC(=O)c2csnn2)C1 1267616210 BUABLUGNVJUOGA-SECBINFHSA-N 308.367 -0.628 30 20 DBED CS[C@H](CO)[C@H](C)NC(=O)C(=O)Nc1cnn(CC#N)c1 1319347188 JGKJDZBKCDYENS-WCBMZHEXSA-N 311.367 -0.426 30 20 DBED N#CCNC(=O)[C@@H](CC(N)=O)NC(=O)c1ccccc1Cl 1321171000 VXSPIWRDDGDUQP-SNVBAGLBSA-N 308.725 -0.046 30 20 DBED C[C@H](CNC(=O)C(=O)N1CCO[C@@H](C#N)C1)N1CCCCC1 1321736707 XGFUFOHYSGVPRH-OLZOCXBDSA-N 308.382 -0.272 30 20 DBED N#CCSCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 1321993310 CKGLCPWVGAFYIV-LLVKDONJSA-N 317.436 -0.426 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N1CCN(CC)C(=O)[C@@H]1CC 1323516989 FIOPQFJCBUTTQS-RYUDHWBXSA-N 311.382 -0.227 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N1CCOC[C@H]1c1noc(C)n1 1323823476 PKRUQECPNWIRFK-QWRGUYRKSA-N 324.337 -0.405 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N(C)[C@H](C)CS(=O)(=O)CC 1323824504 VWLNKLSUZWTNDW-MNOVXSKESA-N 320.411 -0.415 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)NCCCC2(O)CCC2)C1 1329367384 BKWHOUDAQJZMLC-HNNXBMFYSA-N 309.366 -0.325 30 20 DBED CCN1CCC[C@H](NC(=O)C(=O)N2CC[C@@](F)(C#N)C2)C1=O 1333247020 VZFOGMRSULALAI-IINYFYTJSA-N 310.329 -0.422 30 20 DBED C=C[C@@H](O)C(=O)N1CCN(c2nnc(C)c(C)c2C(N)=O)CC1 1333946307 USYNILCQVHIZLM-LLVKDONJSA-N 319.365 -0.612 30 20 DBED C#CCN1CCC[C@H](NC(=O)N[C@H](CO)c2cnn(C)c2)C1 1334060200 NKUGNTDWFMYIBA-UONOGXRCSA-N 305.382 -0.150 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)Nc1ccc(-n2cncn2)nc1 1338114359 ZGXPUVJZWSSRPN-JTQLQIEISA-N 316.321 -0.082 30 20 DBED C=CCn1c(CO)nnc1N1CCN(CC(=O)N(C)C)CC1 1340535023 QKDLDWXTWYXJGA-UHFFFAOYSA-N 308.386 -0.833 30 20 DBED COC[C@](C)(C#N)NC(=O)c1oc(S(N)(=O)=O)cc1C 1347679116 RAAYRYPGYOUPQG-NSHDSACASA-N 301.324 -0.106 30 20 DBED C=CCn1cc(CNC(=O)C(=O)NC[C@@H](OC)C(C)C)nn1 1349029867 ILIRPGJMUQSJJI-GFCCVEGCSA-N 309.370 -0.133 30 20 DBED CC(=O)N[C@H](C)C(=O)NC[C@H](O)CNCc1cccc(C#N)c1 1406184613 CQMWJNJJLGFCKX-IAQYHMDHSA-N 318.377 -0.350 30 20 DBED CNC(=O)CN1CCC(NC(=O)[C@H](C)n2cnc(C#N)n2)CC1 1412379806 ASXNHZJIELNBAB-JTQLQIEISA-N 319.369 -0.963 30 20 DBED C[C@@H]1CCC[C@@]1(O)CNC(=O)CCn1cc(C#N)c(O)nc1=O 1413019601 TZFJZOXASIZNBA-MEBBXXQBSA-N 320.349 -0.122 30 20 DBED COC[C@@H](OC)C(=O)NCC1CN(C(=O)c2cc(C#N)c[nH]2)C1 1416127818 FMPLHDQVYJMZAT-CYBMUJFWSA-N 320.349 -0.264 30 20 DBED CC(C)(C)OC(=O)[C@@](C)(O)CNC(=O)Cn1cnc(C#N)n1 1417707757 KEYFZQREZUMOAP-ZDUSSCGKSA-N 309.326 -0.641 30 20 DBED COCCN(CCNC(=O)[C@@H](C)C#N)C(=O)CN1CCCC1=O 1426069962 FRFLVAKHLMXUIS-LBPRGKRZSA-N 324.381 -0.640 30 20 DBED CC(C)c1nnnn1CC(=O)NCCN(C)C(=O)[C@H](C)C#N 1431272342 ZEHDOQLHIMTNBG-SNVBAGLBSA-N 307.358 -0.469 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C[C@H](O)CC(F)(F)F)C1 1446827646 HKVNRZUCABORQA-DTWKUNHWSA-N 309.288 -0.378 30 20 DBED CC(C)[C@@H](CNC(=O)CN1CCOCC1)NC(=O)[C@H](C)C#N 1451935963 DQHASPPQVZBOFP-CHWSQXEVSA-N 310.398 -0.265 30 20 DBED C=CCn1c([C@H](O)COC)nnc1N(C)Cc1cn(C)nn1 1520650333 XSJJBIMDSFJCED-LLVKDONJSA-N 307.358 -0.091 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H]1CNC(=O)CN1CCCC1=O 1529160184 JXDHLLCBHJTHOM-RYUDHWBXSA-N 306.366 -0.124 30 20 DBED CC(C)n1ccc(C(=O)NC[C@@H](O)CNC(=O)[C@H](C)C#N)n1 1533320500 LICNSVRPYFRYAV-MNOVXSKESA-N 307.354 -0.169 30 20 DBED C=CCOCCN1CC(NC(=O)[C@H](C)OCc2cnn[nH]2)C1 1575109611 ADVCVIBUOAWPES-NSHDSACASA-N 309.370 -0.287 30 20 DBED CC1(C)CNC[C@H]1C(=O)NCCn1cc(C#N)c(O)nc1=O 1576473223 NDQZQBWLRWMELO-JTQLQIEISA-N 305.338 -0.818 30 20 DBED C#CCN(CC(=O)O)CC(=O)NCC(C)(C)N1CCOCC1 1588419743 DBNBYVGRFDANFB-UHFFFAOYSA-N 311.382 -0.767 30 20 DBED C#CCN(CC(=O)O)c1nnnn1[C@@H]1CC=C(C(=O)OC)C1 1588427113 MPWJLDHTQGHONG-SNVBAGLBSA-N 305.294 -0.368 30 20 DBED C=CCNC(=O)Cn1cc(C(=O)OC)cc(-c2nn[nH]n2)c1=O 1588658245 DBSNINCJNKYQKG-UHFFFAOYSA-N 318.293 -0.883 30 20 DBED CC#CC[C@@H](CO)NS(=O)(=O)c1ccc(-c2nn[nH]n2)nc1 1588738897 VBNJSTCKQLPHSX-VIFPVBQESA-N 322.350 -0.686 30 20 DBED Cn1c(C(=O)N2CCO[C@](C)(C#N)C2)ccc1-c1nn[nH]n1 1592548472 AJBDWRRTXAMXSI-CYBMUJFWSA-N 301.310 -0.040 30 20 DBED C=CCn1cc(C(=O)N2C[C@H](C(=O)O)CC[C@H]2C(=O)OC)nn1 1602937841 KOROHPOIWZRFOM-KOLCDFICSA-N 322.321 -0.058 30 20 DBED N#CCCCNC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)cn1 1606348317 RISNILTVGHEAEC-UHFFFAOYSA-N 300.282 -0.380 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)C(=O)N2CCC(CC(=O)O)CC2)C1 1608181404 JUSORYWZKUYBAN-OAHLLOKOSA-N 323.349 -0.423 30 20 DBED N#Cc1ncn(CCNC(=O)N2CCC[C@]23CCOC3=O)n1 1645783882 WIHBOHDDKPUXAX-CYBMUJFWSA-N 304.310 -0.359 30 20 DBED C#CCNC(=O)CN1CCC[C@H](CNC(=O)C[C@H]2CCOC2)C1 1661708197 SJZUMKPVYMJPFP-HUUCEWRRSA-N 321.421 -0.009 30 20 DBED CCc1nc(C(=O)NCC[C@H](C)NCC(=O)NCC#N)co1 1700322531 YRMPYKDSPRNKQR-JTQLQIEISA-N 307.354 -0.025 30 20 DBED C#CCNC(=O)CNC[C@H]1CCCCN1C(=O)[C@@H]1CCN(C)C1 1733711041 DZQUOABXEPMCCN-HUUCEWRRSA-N 320.437 -0.342 30 20 DBED C#CCN[C@H](C)[C@H]1CCCCN1C(=O)CN1CCOCC1=O 1752146512 MQDXXXDMALDQLV-ZIAGYGMSSA-N 307.394 -0.162 30 20 DBED C[C@H](NCC#N)[C@H]1CCCCN1C(=O)CN1C(=O)CN(C)C1=O 1752157201 ODUPBLRSCQIRAQ-NWDGAFQWSA-N 321.381 -0.237 30 20 DBED C#CCNC(=O)CN[C@H](C)CNC(=O)c1cnc(C2CC2)nc1 1752903876 UCAKSXCWUQAPSW-LLVKDONJSA-N 315.377 -0.189 30 20 DBED N#CCNC(=O)CN1CC(NC(=O)c2cncnc2C2CC2)C1 1753391989 HWGQTRQDSSIWOM-UHFFFAOYSA-N 314.349 -0.592 30 20 DBED COCC#CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCNC(=O)CC1 1753423407 IYHCXGAOFZMOIC-ILXRZTDVSA-N 319.405 -0.162 30 20 DBED C=CCNC(=O)CN1CC[C@H]1CNC(=O)C12CCN(CC1)C2 1754499452 HATSTINLMSGFEY-ZDUSSCGKSA-N 306.410 -0.425 30 20 DBED N#CCN1CC(O)(CNC(=O)c2ccc(-n3cccn3)nc2)C1 1754772057 VRDJMQTZIKEECU-UHFFFAOYSA-N 312.333 -0.433 30 20 DBED C=C[C@](C)(CC)C(=O)NCC1(O)CN(CC(=O)N2CCC2)C1 1754773318 KZDFCQXNGWQQEL-OAHLLOKOSA-N 309.410 -0.016 30 20 DBED C[C@H](C(=O)N1CC[C@H](CCNCC#N)C1)N1C(=O)CCC1=O 1754917142 JNUPFMCFURKAHH-NEPJUHHUSA-N 306.366 -0.124 30 20 DBED C=CCCCNCC1(O)CCN(C(=O)CS(C)(=O)=O)CC1 1755148331 RMHZHTQYSOWUSX-UHFFFAOYSA-N 318.439 -0.060 30 20 DBED CC#CCN1CC(CCO)(NC(=O)[C@H](CC)N2CCCC2=O)C1 1755338405 UEJHRLUQZOYRDE-AWEZNQCLSA-N 321.421 -0.036 30 20 DBED C#CCNC(=O)[C@H](C)N1CC([C@@H](C)NC(=O)CC(C)(C)O)C1 1755374312 QLPQYSREQKCJME-NEPJUHHUSA-N 309.410 -0.278 30 20 DBED C=CCNC[C@H]1C[C@H](NC(=O)[C@@H](C)NS(=O)(=O)CC)C1 1755471894 SGFAJMKXSMNYLX-IJLUTSLNSA-N 303.428 -0.015 30 20 DBED C=CCNC(=O)CN[C@@H](CO)CNC(=O)c1sccc1F 1755626955 AEBWOBJJJYGZFL-SECBINFHSA-N 315.370 -0.130 30 20 DBED C#CCN(C)C[C@@H](O)CN(C)C(=O)[C@H]1CCCCN(C)C1=O 1755806396 DRYMUNJVVOEEMH-KGLIPLIRSA-N 309.410 -0.371 30 20 DBED C=CCNC(=O)CNC1CC(N(C)C(=O)CNC(=O)C2CC2)C1 1755852839 AIXVLFSOKOGIJD-UHFFFAOYSA-N 322.409 -0.606 30 20 DBED C=CCOCCNC1CC(N(C)C(=O)c2nnc(O)nc2O)C1 1755858938 XVMQMHPUIYXIJV-UHFFFAOYSA-N 323.353 -0.322 30 20 DBED C#CCOCCC(=O)N[C@H](C)CN(C)C(=O)C1CN(C(C)=O)C1 1756446632 LTIGSAUYNFVKOP-GFCCVEGCSA-N 323.393 -0.532 30 20 DBED C=CCCC(=O)N[C@@H]1CN(C(=O)[C@H]2CCNC(=O)C2)C[C@@H]1O 1757160914 KDRCISSPAWIYIK-TUAOUCFPSA-N 309.366 -0.833 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@H]1CCCCCN(C(=O)C(N)=O)C1 1757493177 BKJNFTCVIWYWJD-RYUDHWBXSA-N 311.382 -0.050 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC[C@H](NC(=O)Cn2cnnn2)[C@H]1C 1757498388 YAQVWWSOSHPIBO-UHIISALHSA-N 322.369 -0.894 30 20 DBED O=C(O)c1cc(C=NN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C=C[C@H]3O2)c[nH]1 1776102302 LZUZGWGDEWLBMC-GWOFURMSSA-N 301.258 -0.015 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)N(C)CC)C2 1800455438 APRYZMVVMWHNKI-GUIRCDHDSA-N 307.394 -0.451 30 20 DBED C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1CCCC1=O)C2 1801597499 AQEPUYXXSDBZNL-CLLJXQQHSA-N 303.362 -0.120 30 20 DBED C=CCC(=O)N1CCCC12CN(C(=O)[C@H](COC)NC(C)=O)C2 1846376965 AVOVBBGIAGBRPE-ZDUSSCGKSA-N 323.393 -0.083 30 20 DBED C=CCN(CC(=O)NC(=O)NCCC)[C@@H]1CCS(=O)(=O)C1 66559741 RVWNODZMIPWLGQ-LLVKDONJSA-N 317.411 -0.103 30 20 DBED N/C(=N\C[C@]1(N2CCOCC2)CCSC1)N1CCOCC1 261992794 MSOQHTYLCHLECH-CQSZACIVSA-N 314.455 -0.159 30 20 DBED C[C@@H]1CN(S(=O)(=O)c2ccccc2C#N)C[C@H](C(N)=O)O1 268369359 RGAAATVXUNMHIR-MWLCHTKSSA-N 309.347 -0.178 30 20 DBED CCOC(=O)CO/N=C(/C(=O)NC[C@H]1CCCO1)c1cc[nH]n1 276767850 XWDGZSOXPFNYDT-BPLQLKKBSA-N 324.337 -0.011 30 20 DBED O=C(CNC(=O)c1ccc(Br)o1)NCC#CCO 282979218 SVRITJXHBISZMZ-UHFFFAOYSA-N 315.123 -0.116 30 20 DBED CCN1CCN(/C(O)=N/CCN2CCCS2(=O)=O)CC1=O 329650331 CFQAKAJANLLNPM-UHFFFAOYSA-N 318.399 -0.900 30 20 DBED C[C@H](CN1CCOCC1)/N=C(/O)N1CCN2C(O)=NC[C@H]2C1 329776544 OFEKJZMNCSQPAP-NEPJUHHUSA-N 311.386 -0.465 30 20 DBED CC(C)N1C[C@@H](N/C(O)=N/CC(=O)N2CCOCC2)CC1=O 330681186 OMTVDXFSCKYFJZ-NSHDSACASA-N 312.370 -0.642 30 20 DBED CC[C@H](C#N)NC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cnn(C)c1 330991306 MWNCVSWCKMWNOQ-KGYLQXTDSA-N 305.338 -0.263 30 20 DBED C[C@H]1CN(CC(C)(C)O)CCN1C(=O)Cn1cnc(C#N)n1 331284084 MKQORZHSURDCIJ-NSHDSACASA-N 306.370 -0.547 30 20 DBED N#Cc1ccc(NCC(=O)N[C@H]2CCC(=O)N[C@H]2C2CC2)nc1 332796852 FKMYAWIDBYKHOF-LRDDRELGSA-N 313.361 0.539 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@@](C)(COC)C(=O)OC 336949106 RGUUUFPWSBWQEB-JQWIXIFHSA-N 321.399 -0.120 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)[C@H]2CCS(=O)(=O)C2)C1=O 337069378 MAVKOYWEORLKBS-WDEREUQCSA-N 300.380 -0.334 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CSC[C@@H]1C(=O)N(C)C 337080982 WCBZBYUSHROCFA-SNVBAGLBSA-N 320.440 -0.070 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)Cn2ccc(O)nc2=O)C1=O 337094648 PEECRKYYMQWATF-JTQLQIEISA-N 306.322 -0.806 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1CCOCC12CC2 338420405 FQRJQVDCWMHEAX-UHFFFAOYSA-N 303.384 -0.042 30 20 DBED N#Cc1ccc([C@H](C(N)=O)N2CCC[C@H](S(N)(=O)=O)C2)cc1 347525565 CJQCRARQRPYXRN-QWHCGFSZSA-N 322.390 -0.162 30 20 DBED CCN1CCN(C(=O)NCC(=O)NCC#N)C[C@@H]1c1ncc[nH]1 358287660 CXBXFQUQNPUFIE-LLVKDONJSA-N 319.369 -0.562 30 20 DBED N#Cc1cccc(CN2CCN3C(=O)C(=O)NC[C@H]3C2)c1F 408099569 MWPVVYUZBDHQJE-LBPRGKRZSA-N 302.309 -0.160 30 20 DBED COCCOCCS(=O)(=O)NCC1CCN(CC#N)CC1 443784446 WECJCAMNRBECNX-UHFFFAOYSA-N 319.427 -0.196 30 20 DBED C=CCNC(=O)NC(=O)CN1CCCC[C@@H]1CS(C)(=O)=O 451656367 HYSYMYNKLLHBTL-LLVKDONJSA-N 317.411 -0.103 30 20 DBED C#CCN(CC)C(=O)C(=O)Nc1cnc(OC)c(C(N)=O)c1 490832095 ZWZSOTOFIGFCPJ-UHFFFAOYSA-N 304.306 -0.391 30 20 DBED C#CCN1CCN(C(=O)CN2C[C@@H]3[C@H]4C=C[C@@H](O4)[C@H]3C2)CC1 491782836 MVIJYHHSTDXORW-CAOSSQGBSA-N 301.390 -0.351 30 20 DBED CC(C)[C@](C)(C#N)NC(=O)CN1C(=O)N[C@@]2(CCCNC2)C1=O 564925704 BEULXHRWCXWDJO-LSDHHAIUSA-N 321.381 -0.285 30 20 DBED CCC(=O)C[C@H](NS(=O)(=O)N(C)[C@H](C)CC#N)C(=O)O 567593144 RTNVWNIDYNBSNE-SCZZXKLOSA-N 305.356 -0.123 30 20 DBED C=CCSCCNC(=O)C(=O)N1CCO[C@H](C(=O)O)C1 591459204 QTQVGFCEAHSJFX-VIFPVBQESA-N 302.352 -0.666 30 20 DBED Cn1c(NCc2nnn(C(C)(C)C)n2)c(C#N)c(=O)n(C)c1=O 594596168 OJJXSEOKMCVYOV-UHFFFAOYSA-N 318.341 -0.691 30 20 DBED C[C@@](C#N)(NC(=O)Cn1cc(CN2CCNCC2)nn1)C1CC1 603182415 OCCFZIGFHIHFOW-HNNXBMFYSA-N 317.397 -0.508 30 20 DBED CC#CC[C@H](CO)NC(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O 649180862 OEYWXENPUVIHBW-UPJWGTAASA-N 304.346 -0.172 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC3(CN(C)C3)C2)C1=O 684172873 RKERUKMJSIPDQF-UHFFFAOYSA-N 320.349 -0.873 30 20 DBED CNC(=O)[C@H](C#N)C(=O)[C@H](C)N1C(=O)NC2(CCCC2)C1=O 726731896 PJFKJKTTWSJMLJ-DTWKUNHWSA-N 306.322 -0.306 30 20 DBED N#CCCNC(=O)COC(=O)CNC(=O)c1ccc(O)cc1 727538497 HJBYYUPPNZTYFQ-UHFFFAOYSA-N 305.290 -0.305 30 20 DBED C#CCNC(=O)COC(=O)c1ccc(CS(N)(=O)=O)cc1 746629802 GFGBJPMXVGDPNB-UHFFFAOYSA-N 310.331 -0.619 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@@H](C)CS(C)(=O)=O 747075895 LZNIGTKQLHPQPO-DTWKUNHWSA-N 320.367 -0.389 30 20 DBED COc1cc(C#N)ccc1COC(=O)CNC(=O)CNC(C)=O 766881869 GNAIGDCWOARBIK-UHFFFAOYSA-N 319.317 -0.138 30 20 DBED COc1cc(O)c(C=NNC(=S)NCC(N)=O)cc1OC 768361043 BCRNORYYLVTXEO-UHFFFAOYSA-N 312.351 -0.307 30 20 DBED CN1C(=O)CC[C@H]1C(=O)NS(=O)(=O)c1ccc(C#N)cc1 784815716 YKEGHXICIUDRNV-NSHDSACASA-N 307.331 -0.016 30 20 DBED COCC#CCOC(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 786365965 OTGDMEUKVWNFBP-HBJVGIJOSA-N 321.329 -0.268 30 20 DBED C#CCNC(=O)CN1CCc2c(cccc2S(=O)(=O)NC)C1 792920698 CRNVMHZMCXBDIV-UHFFFAOYSA-N 321.402 -0.298 30 20 DBED C#CCC[C@H](O)CNC(=O)c1cc(S(N)(=O)=O)ccc1F 803354734 CHQRJUBPZYQLFG-VIFPVBQESA-N 314.338 -0.023 30 20 DBED N#Cc1ncn(CCNc2cccc(S(N)(=O)=O)c2C#N)n1 804818387 QQTLUXFIPOCVJU-UHFFFAOYSA-N 317.334 -0.219 30 20 DBED C#C[C@H](NC(=O)C(=O)NC[C@H]1CC(=O)N(CC)C1)[C@H]1CCCO1 846737880 MTBPBJIQMVUEHD-FRRDWIJNSA-N 321.377 -0.732 30 20 DBED C#CCN(CC(=O)NCC(=O)N(C)OC)C(=O)OC(C)(C)C 854965237 ADBLXGGINODXMD-UHFFFAOYSA-N 313.354 -0.007 30 20 DBED C=CCNC(=O)[C@@H](C#N)C(=O)CN1C(=O)NC2(CCCC2)C1=O 916920811 NJJMZKKPOXZZSS-JTQLQIEISA-N 318.333 -0.138 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H]2CCN(C(=O)C3(C(N)=O)CC3)C2)c1 937799007 SRKFMQIHCVRARX-JTQLQIEISA-N 315.333 -0.517 30 20 DBED Cn1cc(C(=O)N2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)nn1 937851589 RBCXQXDSCMHXBA-JTQLQIEISA-N 313.321 -0.341 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](NC(=O)c2ccn3nnnc3c2)C1 938404064 HJWMKMKLHRRXGT-KOLCDFICSA-N 313.321 -0.385 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)C(N)=O)C1 938602960 VJSPUFDRCDEVJW-UTUOFQBUSA-N 309.366 -0.488 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CCN(C(=O)c3cnon3)C2)c[nH]1 940098624 CSBDSWUTWYEKRV-SECBINFHSA-N 300.278 -0.086 30 20 DBED CC(=O)N1CC(C(=O)NC2CCN(C(=O)[C@@H](C)C#N)CC2)C1 948099465 UHFUYNKFAUUGRD-JTQLQIEISA-N 306.366 -0.268 30 20 DBED O=C1CC[C@@H](C(=O)NC[C@H]2CCN2C(=O)C#CC2CC2)CN1 950964019 IVQYFEGUMNULEW-CHWSQXEVSA-N 303.362 -0.357 30 20 DBED C=C(C)CN1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)CC1 951777469 PKBVECAQXOCLGJ-UHFFFAOYSA-N 306.366 -0.353 30 20 DBED C#CCCN1C[C@@H](O)[C@@H](CNC(=O)c2cnc(N(C)C)cn2)C1 958070196 YBIZAQZXZSNOTH-GXTWGEPZSA-N 317.393 -0.412 30 20 DBED C#CCCN1C[C@H](CNC(=O)c2cnn3ncccc23)[C@@H](O)C1 958139193 KUNJQCMGNFUNGK-WFASDCNBSA-N 313.361 -0.225 30 20 DBED C=CCCN1C[C@H](O)[C@H](CNC(=O)c2cc(C(N)=O)cn2C)C1 958220312 WNUHLYUTQSTJEY-OCCSQVGLSA-N 320.393 -0.277 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2nnn(C(C)C)c2C)C1 958548367 PIRLTGOMDRYIGM-CHWSQXEVSA-N 305.382 -0.177 30 20 DBED COCCn1cc(C(=O)NC[C@H]2CN(CC#N)C[C@@H]2O)cn1 958634950 DIESJLVNKDPERP-AAEUAGOBSA-N 307.354 -0.924 30 20 DBED N#CCN1C[C@H](O)[C@H](CNC(=O)c2ccc(NC(N)=O)cc2)C1 958644636 LEUDDLDXDUCZST-YPMHNXCESA-N 317.349 -0.277 30 20 DBED O=C(N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O)C1=COCCC1 961859507 CWJXQKJWSOTBGN-KGLIPLIRSA-N 304.346 -0.218 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H](NC(=O)Cn2ncnn2)CC1 964929547 WCYKCFOFDZLEPE-MNOVXSKESA-N 305.342 -0.670 30 20 DBED Cc1nn[nH]c1C(=O)N1CC2(C1)CN(C(=O)[C@@H](C)C#N)CCO2 965471765 BIIXDZBWBNRIFS-VIFPVBQESA-N 318.337 -0.674 30 20 DBED C[C@H](C#N)C(=O)N1CC2(C[C@H](NC(=O)c3ccon3)CO2)C1 965636160 ACSSHEBPSDOBKW-ZJUUUORDSA-N 304.306 -0.066 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H](N(C)C(=O)Cn2ncnn2)CC1 967562318 WYLSVDZGXACGBJ-NWDGAFQWSA-N 319.369 -0.328 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)CO[C@H]3CCOC3)C2)C1 972378342 QTRQGJQWBJKFBA-GOEBONIOSA-N 308.378 -0.272 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)[C@H]3CCNC(=O)C3)[C@H]2C1 976353364 VRPLWFCZTPDLFU-OQEOFVATSA-N 304.350 -0.755 30 20 DBED CN(C[C@@H]1CCN1C(=O)C#CC1CC1)C(=O)[C@H]1CCNC(=O)C1 977558991 SWMRRIGPXWHMAY-KBPBESRZSA-N 317.389 -0.015 30 20 DBED CN(C[C@H]1CCN1C(=O)C#CC1CC1)C(=O)c1c[nH]c(=O)cn1 978283462 VWPZZTLGEZWTTQ-GFCCVEGCSA-N 314.345 -0.144 30 20 DBED C#CCN1C[C@H]2C[C@@H](NC(=O)C3CS(=O)(=O)C3)CC[C@H]2C1 979722250 BOWOUFBRSTUMPB-SCRDCRAPSA-N 310.419 -0.119 30 20 DBED C#CCCN1CCCC2(C1)CN(C(=O)[C@@H]1CC(=O)NC(=O)N1)C2 982042959 WPHWGOFGDASTIF-LBPRGKRZSA-N 318.377 -0.468 30 20 DBED C=C(C)CN(C)C1CCN(C(=O)CN2CCNC(=O)C2)CC1 985571441 OMXZTXBFHODBID-UHFFFAOYSA-N 308.426 -0.083 30 20 DBED CN1CC[C@H](C(=O)N2CC(NC(=O)c3c[nH]c(C#N)c3)C2)C1=O 990928908 ZYUOCVJSOVLENL-LBPRGKRZSA-N 315.333 -0.695 30 20 DBED O=C(Cc1ncc[nH]1)N[C@@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1O 991725344 VTOQVGZJAXHHST-OLZOCXBDSA-N 316.361 -0.556 30 20 DBED C=CCn1cc(C(=O)N2CC(NC(=O)[C@@]34COC[C@@H]3C4)C2)nn1 993533393 LBZNSKZWAYZYPQ-BONVTDFDSA-N 317.349 -0.559 30 20 DBED C[C@@H](C#N)C(=O)N1CC(CNC(=O)c2cnc3n2CCOC3)C1 1002870797 LQYLNUJJLPGKGZ-JTQLQIEISA-N 317.349 -0.239 30 20 DBED N#Cc1cc(C(=O)N2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c[nH]1 1011026000 LPIAIZGLYQHYJH-VXGBXAGGSA-N 317.305 -0.164 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(C(=O)c2nc[nH]n2)CC1 1012033875 IBXWAHDFIOWFCH-MNOVXSKESA-N 305.338 -0.320 30 20 DBED C[C@H]1C[C@@H](NC(=O)c2cnnn2C)CN1C(=O)C#CC1CC1 1012582977 VQJCWWIGLPVEGE-CMPLNLGQSA-N 301.350 -0.052 30 20 DBED CC(=O)N1CC(C(=O)NC2[C@@H]3CN(C(=O)[C@H](C)C#N)C[C@@H]23)C1 1013010605 PRSGVBBVPLLVSA-GGZOMVNGSA-N 304.350 -0.803 30 20 DBED C#Cc1ccc(C(=O)N2C[C@H](NC(=O)C(N)=O)CC[C@H]2C)cn1 1018374770 KKYKHYJTNNDJRW-ZWNOBZJWSA-N 314.345 -0.343 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCN(C(=O)[C@@H]3CCN(C)C3=O)C2)C1 1019364554 GUYLGSXRTFIOIS-VXGBXAGGSA-N 318.377 -0.315 30 20 DBED O=C(CC1OCCCO1)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1023512617 HYGKVOGXHOZKMT-CHWSQXEVSA-N 322.361 -0.759 30 20 DBED Cn1nnnc1CNC[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 1026788825 NJESKWBMEAMWPJ-SNVBAGLBSA-N 314.353 -0.338 30 20 DBED C=CCn1cc(C(=O)NC2CN(Cc3csnn3)C2)nn1 1031070164 RQXIQAQELLECGS-UHFFFAOYSA-N 305.367 -0.070 30 20 DBED C=CCCn1cc(C(=O)NC2CN(Cc3n[nH]c(C)n3)C2)nn1 1031079953 QUPFBUAUZNOLGH-UHFFFAOYSA-N 316.369 -0.105 30 20 DBED CN1CC[C@@H](N2CC(CNC(=O)c3ccc(C#N)[nH]3)C2)C1=O 1031619297 RMZFNOZUHWIZFM-CYBMUJFWSA-N 301.350 -0.221 30 20 DBED C#CCN1C[C@@H]2C[C@H]1CN2C(=O)C1CC2(C1)CS(=O)(=O)C2 1032475656 CBMURNWBFXYEQS-STQMWFEESA-N 308.403 -0.271 30 20 DBED Cn1cc(C(=O)N[C@@H]2CCCCN(CC#N)C2)c(=O)n(C)c1=O 1034423365 HEHMKFFEDIRYLX-LLVKDONJSA-N 319.365 -0.808 30 20 DBED C=C(C)CN1CCO[C@@H](CNC(=O)c2cn(CCOC)nn2)C1 1035362928 YGJNZMPTBDQTBL-ZDUSSCGKSA-N 323.397 -0.069 30 20 DBED N#CCN1CCO[C@H](CNC(=O)[C@H]2CCn3ccnc3C2)C1 1035418410 HIVZMGAQNMJXFB-QWHCGFSZSA-N 303.366 -0.214 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]2CN(c3nccn4nnnc34)C[C@H]21 1040541453 QWVFIEQFTZOVPE-GARJFASQSA-N 312.337 -0.284 30 20 DBED C=CCO[C@H](C)C(=O)N1CC[C@@](O)(CNC(=O)c2cnon2)C1 1040667984 GQFOTVGWIITYNS-QMTHXVAHSA-N 324.337 -0.646 30 20 DBED C#CCCN1CC[C@@]2(CCN(C(=O)CN3CCNC(=O)C3)C2)C1 1041539242 FZJUFKYCXDGMPT-QGZVFWFLSA-N 318.421 -0.634 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)CSCC#N)C1 1041568357 IPECUBRYMAVQBC-UHFFFAOYSA-N 313.379 -0.865 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)c2cc(C(N)=O)co2)C1 1041963723 YJRNJEAEOINDSR-UHFFFAOYSA-N 321.333 -0.352 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)[C@H]2CCCCO2)C1 1042936154 BOOSXRJMQFTUIH-CYBMUJFWSA-N 308.378 -0.096 30 20 DBED CN1CC[C@H](C(=O)N2CC(O)(CNC(=O)C#CC3CC3)C2)C1 1042963736 UDLDYUQBLZNTMO-ZDUSSCGKSA-N 305.378 -0.959 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)CCC(F)F)C1 1043039254 AVXOLRMKQLABRO-JTQLQIEISA-N 318.320 -0.241 30 20 DBED Cc1cc(C(=O)NCC2(O)CN(C(=O)[C@H](C)C#N)C2)c(C)nn1 1043209512 ZWMGOPDJCQSMMG-SECBINFHSA-N 317.349 -0.444 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)[C@@H]2CCN(C)[C@@H]2C)C1 1043265395 AAKMGMPSMYTSFQ-IJLUTSLNSA-N 308.382 -0.824 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(O)(CNC(=O)Cc2ccco2)C1 1045201896 OBMUMXUNSFFGOB-HNNXBMFYSA-N 322.361 -0.161 30 20 DBED C=C[C@@](C)(CC)C(=O)NCC1(O)CN(C(=O)c2nnn(C)n2)C1 1045782661 IMVGWEZBCDIFCV-ZDUSSCGKSA-N 322.369 -0.885 30 20 DBED C=CCN1CC[C@H](N2CCN(C(=O)[C@H]3CCC(=O)N3)CC2)C1 1046013298 WKBIKPYOBRMJSY-UONOGXRCSA-N 306.410 -0.331 30 20 DBED CN1CCOC[C@H]1C(=O)N1CCN([C@H]2CCN(CC#N)C2)CC1 1046019318 BYUGTKSECYMIHJ-GJZGRUSLSA-N 321.425 -0.941 30 20 DBED N#CCSCC(=O)N1C[C@H]2C[C@H](NC(=O)CC(N)=O)C[C@H]1C2 1047417371 UIMOHSXIYJFRMV-GARJFASQSA-N 324.406 -0.386 30 20 DBED CO[C@@H](C)C(=O)N(C)[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1O 1048415058 RLKTUOKVTLKLOA-XDTLVQLUSA-N 320.349 -0.435 30 20 DBED CN(C(=O)C#CC1CC1)[C@H]1CN(C(=O)c2csnn2)C[C@@H]1O 1048828344 NDRVGKWONNGVJG-RYUDHWBXSA-N 320.374 -0.405 30 20 DBED Cn1cnn(CCC(=O)N2CCC[C@H]3[C@H]2CCN3CC#N)c1=O 1049613029 ORVNLXKNJZGDEN-QWHCGFSZSA-N 318.381 -0.439 30 20 DBED CN(C)CCn1ccc(C(=O)NC[C@@H]2COCCN2CC#N)n1 1050921564 GVAIMANGYWCLDB-CYBMUJFWSA-N 320.397 -0.601 30 20 DBED COc1c[nH]c(C(=O)NC[C@@H]2COCCN2CC#N)cc1=O 1051028454 PDJOPUPSFNDQSA-SNVBAGLBSA-N 306.322 -0.662 30 20 DBED N#Cc1c[nH]ccc1=NC1CC(CNC(=O)[C@H]2CCNC2=O)C1 1052047140 RQYDPTXRIORTMV-GDKBPFBDSA-N 313.361 -0.182 30 20 DBED C=CCCN1CC2(C1)CN(C(=O)Cn1ncn(C)c1=O)CCO2 1053321072 UITDUZCMXXBYDJ-UHFFFAOYSA-N 321.381 -0.929 30 20 DBED CN1C(=O)CC[C@H]1C(=O)NC[C@@H]1CCC2(CN(CC#N)C2)O1 1053647041 LDICQWXLFIQHKJ-RYUDHWBXSA-N 306.366 -0.520 30 20 DBED C=CCN1CC2(C[C@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)CO2)C1 1053924292 PTTVAPTZTXRAPG-SDDRHHMPSA-N 309.366 -0.835 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)[C@@H]3CCCN3C(C)=O)CO2)C1 1053986957 YPRGHEXRBRAQDE-KBPBESRZSA-N 305.378 -0.410 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@@H]2CN(C(=O)COCC)C[C@@H]2C1 1055144014 AMLOBMQJVPRRHP-MCIONIFRSA-N 308.378 -0.022 30 20 DBED C[C@]1(C(=O)N2CCN(c3nccnc3C#N)CC2)CNC(=O)C1 1055962280 GPIMFVXVTZPNQS-OAHLLOKOSA-N 314.349 -0.477 30 20 DBED N#Cc1cnc(N2C[C@H]3C(NC(=O)[C@H]4COCCO4)[C@@H]3C2)cn1 1056135357 OIUHKFAUAZIOPO-IJLUTSLNSA-N 315.333 -0.686 30 20 DBED C=C(C)CCC(=O)NCCN(CCO)C(=O)[C@H](C)NC(C)=O 1056887340 KVOQTKBPEBZRJY-LBPRGKRZSA-N 313.398 -0.196 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)c1cc(C)on1 1056905959 TUYZABRFDIMAJP-UHFFFAOYSA-N 311.338 -0.264 30 20 DBED C=C[C@](C)(O)CC(=O)N(CCO)CCNC(=O)[C@@H]1CCOC1 1057450525 SLVISKSWWGNXKH-DOMZBBRYSA-N 314.382 -0.713 30 20 DBED CS(=O)(=O)CC(=O)N1CCC[C@@H](N=c2cc[nH]cc2C#N)C1 1057577408 NKRBWFGLXZAIEC-GFCCVEGCSA-N 322.390 -0.177 30 20 DBED C#CCOCCC(=O)N(CCO)CCNC(=O)[C@H]1CC1(F)F 1057581402 SAPFOGCSHAZJRF-LLVKDONJSA-N 318.320 -0.381 30 20 DBED N#Cc1cnc(N[C@H]2CCCN(C(=O)[C@@H]3CNC(=O)N3)C2)cn1 1057749105 PWMGGGMSSUKVOZ-ONGXEEELSA-N 315.337 -0.567 30 20 DBED N#Cc1cnc(N2CC[C@@H](NC(=O)[C@H]3CNC(=O)N3)C2)c(F)c1 1058531837 ZPWPLHGGRVQQTC-MWLCHTKSSA-N 318.312 -0.531 30 20 DBED Cc1ccc(C#N)c(N[C@H]2CCN(C(=O)[C@H]3CNC(=O)N3)C2)n1 1059047232 MBZGUYYIQDQVCH-NWDGAFQWSA-N 314.349 -0.044 30 20 DBED NC(=O)NCCC(=O)NCC[C@@H]1CCN(C(=O)C#CC2CC2)C1 1059623877 COCYUQZWUYUSEY-CYBMUJFWSA-N 320.393 -0.187 30 20 DBED CC(C)C#CC(=O)NCC[C@H]1CCN(C(=O)c2nnn(C)n2)C1 1060147048 LEFJTIBGDOKVFX-LBPRGKRZSA-N 318.381 -0.162 30 20 DBED N#Cc1cncc(N[C@@H]2CC[C@@H]3CN(C(=O)CC(N)=O)C[C@H]32)n1 1060522553 AQUHRVQWZCPOGM-YUSALJHKSA-N 314.349 -0.127 30 20 DBED N#Cc1nccnc1N1CCC[C@@H]1CNC(=O)[C@H]1CCC(=O)N1 1061327215 FDOJDWNEBGVUKJ-GHMZBOCLSA-N 314.349 -0.288 30 20 DBED C#CCCCC(=O)NC[C@@H]1COCCN1C(=O)c1cnn(C)n1 1061539839 CZVDOZKVLDBYHD-GFCCVEGCSA-N 319.365 -0.424 30 20 DBED C=CCCC(=O)N1CCOC[C@H]1CNC(=O)[C@H]1COC(=O)N1 1061545978 IXVCHELIJYAPIG-GHMZBOCLSA-N 311.338 -0.595 30 20 DBED Cn1ncc(C(=O)NC[C@H]2CCN(c3ccc(C#N)nn3)C2)n1 1061622968 NMQSEUBXWQCYTQ-SNVBAGLBSA-N 312.337 -0.267 30 20 DBED C=CCCOCC(=O)NC[C@H]1COCCN1C(=O)[C@@H](C)OC 1061666688 POQAVJMXYPPKKK-OLZOCXBDSA-N 314.382 -0.042 30 20 DBED CC(C)C#CC(=O)N1CCOC[C@@H]1CNC(=O)Cc1nc[nH]n1 1061919525 ORMOVMRUEBXGMN-LBPRGKRZSA-N 319.365 -0.650 30 20 DBED C#CCOCCC(=O)N1CCCC[C@@H]1CNC(=O)c1cnn[nH]1 1062212885 CTKWXFJVBIZCPE-GFCCVEGCSA-N 319.365 -0.045 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)[C@H]2CN(C)CCO2)CCC1 1064301988 BFOCYDOYUNBWKZ-NWDGAFQWSA-N 308.382 -0.368 30 20 DBED N#Cc1cncc(N2CC[C@]3(CCN(C(=O)C(N)=O)C3)C2)n1 1064640682 OXENTUSDDLBUCJ-AWEZNQCLSA-N 300.322 -0.738 30 20 DBED C=CCCC(=O)N1CCO[C@H](CNC(=O)[C@H](C)NC(N)=O)C1 1064955367 GOBDGIPVRIOBNY-WDEREUQCSA-N 312.370 -0.647 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CCCN(C(=O)CN2CCOCC2)CC1 1066474822 JTMPFOOZJIHFCU-ZIAGYGMSSA-N 322.409 -0.024 30 20 DBED C#CCNC(=O)CC(=O)N(C)CCCN(C)C(=O)C(F)F 1066574528 FSEIRPSWOGKEMZ-UHFFFAOYSA-N 303.309 -0.302 30 20 DBED C[C@H]1CN(C(=O)Cc2ncc[nH]2)C[C@H]1N=c1cc[nH]c(C#N)n1 1067140387 TWKVZLCYDIQQHK-WDEREUQCSA-N 311.349 -0.005 30 20 DBED N#Cc1nc(=NC[C@H]2C[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)cc[nH]1 1068588897 MOPQXNUZKGKXCD-DBIOUOCHSA-N 314.349 -0.802 30 20 DBED C=CCOCC(=O)N1CC2(C[C@H](NC(=O)c3cc[nH]n3)CO2)C1 1068709846 UKRFFOJLSKOUOZ-NSHDSACASA-N 320.349 -0.288 30 20 DBED C=CCOCC(=O)N1CC2(C[C@@H](NC(=O)c3cocn3)CO2)C1 1068759901 ZPBFPIBQPBJGSR-LLVKDONJSA-N 321.333 -0.023 30 20 DBED C#CCN1CCn2ncc(CNC(=O)[C@@H]3CCN(C)C3)c2C1 1069882417 HKXUUEJAMRVXAU-CYBMUJFWSA-N 301.394 -0.100 30 20 DBED N#CCN1CCNC(=O)CCN(C(=O)Cn2ccnc2)CC1 1071024328 OWHCTLRCAVGFHN-UHFFFAOYSA-N 304.354 -0.943 30 20 DBED N#CCN[C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CNC(=O)N2)CC1 1071082257 QYSFJAGHGZDGAZ-UPJWGTAASA-N 321.381 -0.823 30 20 DBED C=CCCC(=O)N[C@@H]1CN(C(=O)Cn2cnnc2O)C[C@H]1C 1071943983 UTLBUVXMDWEKAT-GHMZBOCLSA-N 307.354 -0.087 30 20 DBED C#CCOCCC(=O)N1C[C@H](C)[C@H](NC(=O)CN(C)C(C)=O)C1 1072098336 YGNKKCBOIVGNRN-GXTWGEPZSA-N 323.393 -0.532 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)c2ccc(C(N)=O)[nH]2)C1 1073767442 YRHOUVPZEOUGFE-LLVKDONJSA-N 304.350 -0.433 30 20 DBED C#CCCCC(=O)N[C@H]1CCN(C(=O)CNC(N)=O)C[C@@H]1C 1073918607 KMVHSTOLGUKZPW-RYUDHWBXSA-N 308.382 -0.189 30 20 DBED C=CCOCC(=O)N1CC[C@H](NC(=O)Cn2ncnn2)[C@H](C)C1 1073976730 FVRLLZQDECOGTC-NEPJUHHUSA-N 322.369 -0.771 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CCN(C(=O)c2cnccn2)CC1 1074436327 FPKFLQYTOPMLBS-LLVKDONJSA-N 317.349 -0.280 30 20 DBED C=CCOCC(=O)N1CC[C@@H](NC(=O)CC(=O)NC)C[C@@H]1C 1074951500 RIOWXUDRTNLCSU-NWDGAFQWSA-N 311.382 -0.179 30 20 DBED C=CCOCC(=O)N[C@@H](C)CCNC(=O)COCCOC 1075956153 QTVXETROMHYDAO-LBPRGKRZSA-N 302.371 -0.137 30 20 DBED CC#CCN1C[C@@H]2CCN(C(=O)Cn3ncn(C)c3=O)[C@@H]2C1 1075968781 LXWPPBYJRBHLFW-QWHCGFSZSA-N 303.366 -0.862 30 20 DBED C=C[C@](C)(O)CC(=O)NCC[C@H](C)NC(=O)Cc1n[nH]c(C)n1 1076300576 NZJVQJYTXONGLH-BONVTDFDSA-N 323.397 -0.006 30 20 DBED C=CCCn1cc(C(=O)NCC[C@H](C)NC(=O)CC(N)=O)nn1 1076712352 ZITWVNOOUPHTTO-JTQLQIEISA-N 322.369 -0.646 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN([C@H](C)c3nnnn3C)C[C@H]2O)C1 1077642064 VMTMIEUARDUANV-IJLUTSLNSA-N 320.397 -0.211 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)c2ccc(C(N)=O)s2)C1 1077829830 AODVDHUTWDFAEX-NXEZZACHSA-N 307.375 -0.355 30 20 DBED O=C1NCC[C@H]1NC[C@H]1CN(C(=O)C#CC2CC2)CCCO1 1078399055 WTVGKXDFIULQLG-UONOGXRCSA-N 305.378 -0.505 30 20 DBED C=CCOc1cccnc1C(=O)NCC[C@H](C)NC(=O)C(N)=O 1078599921 CYQGRUSNJJNGLG-JTQLQIEISA-N 320.349 -0.244 30 20 DBED CCN(C(=O)C#CC1CC1)C1CN(C(=O)C2(C(=O)NC)CC2)C1 1079736774 KBPFRXUCLFBZBB-UHFFFAOYSA-N 317.389 -0.015 30 20 DBED CCN(C(=O)C#CC1CC1)C1CN(C(=O)[C@H]2CCNC2=O)C1 1079742930 RACVFMXZKMKODZ-ZDUSSCGKSA-N 303.362 -0.405 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CO)(NC(=O)CC(=O)N(C)C)CC1 1080863760 BTFQXULHQATUBF-LLVKDONJSA-N 324.381 -0.906 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CO)(NC(=O)[C@@H]2[C@H]3COC[C@H]32)CC1 1080953398 JJZWMAWOWOTBCX-WUHRBBMRSA-N 321.377 -0.492 30 20 DBED C=CCOCC(=O)N1C[C@H](CNC(=O)c2cccn2C)[C@@H](O)C1 1081260530 YYIRTGCIQNOYPY-JSGCOSHPSA-N 321.377 -0.223 30 20 DBED Cc1nn[nH]c1C(=O)N1C[C@@H](O)[C@H](CNC(=O)C#CC(C)C)C1 1081463758 RRTBQESZTJKREY-VXGBXAGGSA-N 319.365 -0.678 30 20 DBED C=C1CC(C)(C(=O)NC[C@@H]2CN(C(=O)c3cnn[nH]3)C[C@@H]2O)C1 1081750501 WFROEQWHAMEIOQ-PWSUYJOCSA-N 319.365 -0.290 30 20 DBED C=CCN1C[C@@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)[C@H](OC)C1 1082355517 BCZZSULJDWVIGB-GHMZBOCLSA-N 324.381 -0.682 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cc[n+]([O-])cc1 1082987409 AZAWCLNNYMNIBW-LSDHHAIUSA-N 301.346 -0.132 30 20 DBED C#CCN1C[C@H]2[C@H]3CC[C@@H]([C@H]2C1)N(C(=O)CCn1cnnn1)C3 1089882323 XGBAUJCJAJXWFE-AJNGGQMLSA-N 314.393 -0.135 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2c(O)nnc(C)c2C)[C@@H](O)C1 1090478486 FYVNPXKXCKIRSM-OLZOCXBDSA-N 318.377 -0.013 30 20 DBED COCCOCC(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1C 1090688332 WDBXAFZMAQUZCD-DGCLKSJQSA-N 319.365 -0.048 30 20 DBED CN(C)c1ccc(C(=O)N[C@@H]2CCN(CC#N)C[C@H]2O)nn1 1090733612 HJSDNCWAVQMHJB-ZYHUDNBSSA-N 304.354 -0.769 30 20 DBED C#Cc1ccccc1CC(=O)N[C@@H]1CCN(CCO)C[C@@H]1O 1090763104 DJFJDSPUXBRHBM-CVEARBPZSA-N 302.374 -0.246 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2ccc(C(N)=O)nc2)[C@H](O)C1 1090852199 ODCYTUHWLYLNGS-GXTWGEPZSA-N 316.361 -0.631 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CN(c2ncnc3[nH]cnc23)C[C@@H]1O 1091079111 KEKPGCYHUBCIQH-HLTSFMKQSA-N 301.310 -0.822 30 20 DBED CCCOCC(=O)N[C@@H]1CCN(c2nccnc2C#N)C[C@@H]1O 1092143005 PPDFNRKZWURBDF-YPMHNXCESA-N 319.365 -0.169 30 20 DBED CS(=O)(=O)CCC(=O)N1CCN(c2ccnc(C#N)n2)CC1 1093206361 YUIACKDLUOOEPC-UHFFFAOYSA-N 323.378 -0.568 30 20 DBED C[C@H](CC(N)=O)C(=O)NC1[C@@H]2CN(c3ccnc(C#N)n3)C[C@@H]12 1093332265 ZMLLIXKYYUEJIY-OPRDCNLKSA-N 314.349 -0.589 30 20 DBED C=CCN1CC(n2cc(CNC(=O)[C@@]34COC[C@@H]3C4)nn2)C1 1094292792 HYPNIQFGGRBSED-NHYWBVRUSA-N 303.366 -0.027 30 20 DBED N#CCN1CC(N2C[C@@H](NC(=O)c3cncnc3)CC2=O)C1 1094726655 VUUZQUZYEUPBKF-NSHDSACASA-N 300.322 -0.985 30 20 DBED CC(=O)N[C@H](C)C(=O)N[C@H]1CCN(c2nccnc2C#N)C1 1096317708 YGZIBYKHXHKOHF-KOLCDFICSA-N 302.338 -0.432 30 20 DBED N#Cc1cncc(N2CC[C@H](NC(=O)CCn3cnnn3)C2)n1 1096415295 LQQDBKHPRVMFJG-JTQLQIEISA-N 313.325 -0.880 30 20 DBED N#Cc1cncc(N[C@H](CNC(=O)[C@H]2CCNC2=O)C2CC2)n1 1096783800 OFWYJXSSQQDOSP-NWDGAFQWSA-N 314.349 -0.209 30 20 DBED C[C@@H](CNC(=O)CCn1cnnn1)Nc1ccc(C#N)nc1 1098010768 DRAWAXFQIMAPHS-JTQLQIEISA-N 300.326 -0.053 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](n2cc(CNCC)nn2)C1 1098661053 BQQUGOVATXSIOR-CYBMUJFWSA-N 318.381 -0.700 30 20 DBED C#CCNCc1cn([C@@H]2CCN(C(=O)c3ncccn3)C2)nn1 1098757189 IXOHVUGXMXBGBB-CYBMUJFWSA-N 311.349 -0.122 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)c2cnns2)[C@@H](O)C1 1099695802 OBUZFQFTPLXBOY-MNOVXSKESA-N 312.395 -0.094 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2nn(C)cc2C)[C@H](O)C1 1099813785 UPNUCXPCOOTASS-ZIAGYGMSSA-N 320.393 -0.457 30 20 DBED C=C(C)C(C)(C)C(=O)N[C@@H]1CCN(Cc2nnn(C)n2)C[C@@H]1O 1099947551 XUEXSZSTVLPQLZ-NEPJUHHUSA-N 322.413 -0.136 30 20 DBED Cc1cc(C#N)nc(N(C)CCNC(=O)Cc2n[nH]c(C)n2)n1 1100063206 WCOIUPYPTUYDSW-UHFFFAOYSA-N 314.353 -0.122 30 20 DBED C#CCO[C@H](C)C(=O)NCC1CC(NCC(=O)N2CCC2)C1 1100322500 KPHDIFLMHSQRTE-IYXRBSQSSA-N 307.394 -0.259 30 20 DBED C#CCOCCC(=O)NCC1CC(NCC(=O)N(C)CC)C1 1100324909 KNXJMXYTKWDFLT-UHFFFAOYSA-N 309.410 -0.011 30 20 DBED CN(CCNC(=O)CCS(C)(=O)=O)c1cnc(C#N)cn1 1100394018 HSNMCBOGQOQGPQ-UHFFFAOYSA-N 311.367 -0.665 30 20 DBED CC[C@@]1(C(=O)NCCN(C)c2nccnc2C#N)CCNC1=O 1100402271 XVERSSDNXFHDOM-OAHLLOKOSA-N 316.365 -0.183 30 20 DBED C#CCNC(=O)[C@H](C)NC1CC(CNC(=O)c2cnn[nH]2)C1 1100475305 MOMPPMOZHVGYTG-WHXUTIOJSA-N 304.354 -0.959 30 20 DBED CCN(CCNC(=O)[C@H]1COCCO1)c1cncc(C#N)n1 1100479508 BLMNVHBUNJVZIP-GFCCVEGCSA-N 305.338 -0.294 30 20 DBED CC#CCNC1CC(CNC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 1100528940 ZSTDYGHNFYQORQ-YIZWMMSDSA-N 315.377 -0.127 30 20 DBED CS(=O)(=O)CC(=O)NC[C@@H]1CCN(c2cnc(C#N)cn2)C1 1100961261 GDGMNAZXXIEKDG-JTQLQIEISA-N 323.378 -0.665 30 20 DBED N#Cc1cncc(N(CCNC(=O)Cc2nc[nH]n2)C2CC2)n1 1101385271 NSNLQEKILQXNGS-UHFFFAOYSA-N 312.337 -0.206 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)c1cnn2cccnc12 1101884635 QRTKKSXZABMBLU-UHFFFAOYSA-N 322.332 -0.003 30 20 DBED CN1C[C@@H](C(=O)N(C)CCNc2cncc(C#N)n2)CC1=O 1102004364 NOZFRTAAZUAFBU-JTQLQIEISA-N 302.338 -0.303 30 20 DBED CN(CCNc1cncc(C#N)n1)C(=O)CCS(C)(=O)=O 1102039266 XGZCOPMSUNRSOR-UHFFFAOYSA-N 311.367 -0.347 30 20 DBED CNC(=O)NCC(=O)N(C)[C@H]1CCN(c2ccc(C#N)nn2)C1 1102767161 SXMBFOFZUGJKEK-NSHDSACASA-N 317.353 -0.686 30 20 DBED C[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1CCNCc1nnnn1C 1104004829 MLSYXBWHHNBSHX-IJLUTSLNSA-N 305.386 -0.056 30 20 DBED Cc1cc(=NC[C@@H](C)CNC(=O)c2nnn(C)n2)c(C#N)c[nH]1 1104181659 HCUQWDMJPYSMOF-SECBINFHSA-N 314.353 -0.315 30 20 DBED C[C@@H](CNc1nccnc1C#N)N(C)C(=O)Cn1ncnn1 1104689841 YIUPDQYPNWBKCP-VIFPVBQESA-N 301.314 -0.706 30 20 DBED C[C@H](CNc1nccnc1C#N)N(C)C(=O)[C@H]1CCNC1=O 1104763493 HPRBMNFBUSZTCP-ZJUUUORDSA-N 302.338 -0.257 30 20 DBED Cc1cc(C#N)nc(N(C)CCN(C)C(=O)[C@H]2COC(=O)N2)n1 1105393392 UJTZYTDSDIYVIF-LLVKDONJSA-N 318.337 -0.340 30 20 DBED N#Cc1nc(=NC[C@@H](O)CNC(=O)[C@@H]2CCCCO2)cc[nH]1 1105820193 SVTQIVSWCALWTO-MNOVXSKESA-N 305.338 -0.772 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)CN(C)C(=O)COC)C[C@H]1C 1106205462 PNLBASDMMWVCRE-ZIAGYGMSSA-N 309.410 -0.201 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](C)NC(=O)[C@H]2CN(C)C(=O)N2)n1 1108041137 DOKBWNHBWSGMPX-MWLCHTKSSA-N 317.353 -0.403 30 20 DBED CN(C)C(=O)CCCC(=O)NC[C@]1(C)CN(CC#N)CCO1 1108347097 GRCDMSQJULYRTM-OAHLLOKOSA-N 310.398 -0.024 30 20 DBED CC#CCN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1nnc(O)nc1O)C2 1108719937 FYWJKOLQTLQAJR-AXFHLTTASA-N 317.349 -0.111 30 20 DBED C[C@H](CN(C)c1cncc(C#N)n1)NC(=O)[C@H]1CC(=O)N(C)C1 1109296729 ZIJJNJNCHYFVHS-MNOVXSKESA-N 316.365 -0.233 30 20 DBED N#Cc1cncc(NC2(CNC(=O)[C@@H]3CCC(=O)NC3)CC2)n1 1110403861 XRSONXIVDKCHQH-SNVBAGLBSA-N 314.349 -0.065 30 20 DBED CS(=O)(=O)NCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC#N 1110618292 QIBYSUKSPCGGLZ-MXWKQRLJSA-N 300.384 -0.829 30 20 DBED N#CCNC[C@]12CCC[C@H]1CN(C(=O)C[C@@H]1NC(=O)NC1=O)C2 1112404301 SYFWESLNEVYOPK-PGUXBMHVSA-N 319.365 -0.674 30 20 DBED C=CCNC(=O)NC(=O)CN1CCN(C(=O)C(C)(C)F)CC1 1112596168 LNVOHEDGQCOBOD-UHFFFAOYSA-N 314.361 -0.110 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCN(CC(=O)NCC(C)C)CC1 1112846171 HWQRPUMBZUNSGA-AWEZNQCLSA-N 309.410 -0.059 30 20 DBED C[C@@H](CNC(=O)CN1CCOCC1)N(C)c1ccnc(C#N)n1 1113558600 QBWLKQLQJIZTFG-LBPRGKRZSA-N 318.381 -0.379 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)CCCC(C)=O)[C@H]2C1 1113859289 CFPDJKCNKGTTFH-STQMWFEESA-N 305.378 -0.459 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)Cc3cnc(C)o3)[C@@H]2C1 1114401495 RGLRSDWKKSXMHW-CHWSQXEVSA-N 318.377 -0.126 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)c3nc(C)c[nH]3)[C@H]2C1 1114948322 BDBFCSMEHMFQFT-NDBYEHHHSA-N 315.377 -0.484 30 20 DBED C[C@H](CCCN=c1cc[nH]c(C#N)n1)NC(=O)c1cnn[nH]1 1115114701 ONSQTTXIEZTNPT-SECBINFHSA-N 300.326 -0.101 30 20 DBED C[C@H](CN(C)C(=O)Cn1cncn1)Nc1ccc(C#N)nn1 1115728861 NLQKKLCASIMFHK-SNVBAGLBSA-N 300.326 -0.101 30 20 DBED C#Cc1ccc(C(=O)N2CCC[C@H](CNS(N)(=O)=O)C2)cn1 1116114040 BSAQVRQESOHGHI-LLVKDONJSA-N 322.390 -0.292 30 20 DBED C#C[C@@H](NC(=O)C(=O)Nc1cnn(CC(=O)N(C)C)c1)C(C)C 1116922164 NKHDWMDAABJXRV-GFCCVEGCSA-N 319.365 -0.316 30 20 DBED CC#CCCNC(=O)C(=O)NCCS(=O)(=O)NC(C)(C)C 1117054976 ZSDNAOZRSWGSTE-UHFFFAOYSA-N 317.411 -0.650 30 20 DBED CC[C@@]1(C)CN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)CCO1 1118186645 IXHCKJCCYRWXMI-LSDHHAIUSA-N 309.366 -0.109 30 20 DBED N#Cc1cc(C(=O)NC[C@H](CO)N=c2cc[nH]c(C#N)n2)c[nH]1 1121353206 NYMPSGJUMXDDCJ-LLVKDONJSA-N 311.305 -0.827 30 20 DBED N#Cc1nccnc1N[C@H](CO)CNC(=O)C[C@H]1CCOC1 1121399627 QEYWSRAUJSQMSK-MNOVXSKESA-N 305.338 -0.336 30 20 DBED Cn1cnc2c(N[C@H](CO)CNC(=O)C#CC3CC3)ncnc21 1121439428 KIWXCAYNYYKONE-NSHDSACASA-N 314.349 -0.334 30 20 DBED N#Cc1cncc(N[C@@H](CO)CNC(=O)[C@@H]2CCCCO2)n1 1121454112 GRYCLGWRANHVDE-NEPJUHHUSA-N 305.338 -0.194 30 20 DBED Cc1ncn(C)c1C(=O)NC[C@H](CO)Nc1cncc(C#N)n1 1122147930 PSNYFXOKJYSZBA-LLVKDONJSA-N 315.337 -0.407 30 20 DBED CN1C(=O)CC[C@@H]1C(=O)NC[C@H](CO)Nc1ccc(C#N)cn1 1122398978 WSDUKEQUBHMJQS-VXGBXAGGSA-N 317.349 -0.537 30 20 DBED N#Cc1ccc(NC[C@H]2CC[C@@H](NC(=O)CC(N)=O)C2)nn1 1123750310 ASBRFSYCPIBUCH-VHSXEESVSA-N 302.338 -0.080 30 20 DBED CC(=O)N[C@@H](C)C(=O)N(C)C[C@@H](O)CNc1ncccc1C#N 1124060202 UMDRPYHZGFCXBX-GWCFXTLKSA-N 319.365 -0.291 30 20 DBED Cc1c[nH]nc1C(=O)N(C)C[C@@H](O)CNc1cncc(C#N)n1 1124283603 OKQHHJCKFWCIPH-NSHDSACASA-N 315.337 -0.075 30 20 DBED CN(C[C@@H](O)CNc1cnc(C#N)cn1)C(=O)c1ccncn1 1124466433 QNUJPTJWNIZLKL-NSHDSACASA-N 313.321 -0.317 30 20 DBED Cc1c[nH]c(C(=O)N(C)C[C@@H](O)CNc2cnc(C#N)cn2)n1 1124828981 SOHBOWLBRASQKW-NSHDSACASA-N 315.337 -0.075 30 20 DBED N#Cc1ccc(N2CC=C(CNC(=O)CNC(N)=O)CC2)nc1 1127546773 JKHTZELNBDKQIE-UHFFFAOYSA-N 314.349 -0.126 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1cnn2ccncc12 1129569175 GKIYYZOHOXKSAO-LLVKDONJSA-N 314.349 -0.813 30 20 DBED CC[C@@H](C)OCC(=O)N1C[C@H](n2ccnn2)[C@H](NCC#N)C1 1129778592 XNUNRYOMVXSZIS-UPJWGTAASA-N 306.370 -0.042 30 20 DBED C#CCN1CC[C@@H](c2n[nH]cc2CNC(=O)CNC(C)=O)C1 1130338141 SQOJUEFJMDAIEC-GFCCVEGCSA-N 303.366 -0.416 30 20 DBED CC#CCN1CC[C@]2(C1)CN(C(=O)CNC(=O)NC)C[C@@H](C)O2 1131665878 KJHBTKVJRDVARP-CJNGLKHVSA-N 322.409 -0.370 30 20 DBED C#CCN1CC[C@]2(C1)CN(C(=O)COCCN(C)C)C[C@@H](C)O2 1131692783 KQYZZPNSDLSMQA-WBVHZDCISA-N 323.437 -0.110 30 20 DBED C=CCN1CC[C@@]2(C1)CN(C(=O)CCNC(N)=O)C[C@@H](C)O2 1131696834 BLPOPRMDPKJYDT-IUODEOHRSA-N 310.398 -0.077 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2cnn(C)c2)CC[C@@H]1C 1131772927 VRWCFVDSDSLXIX-JSGCOSHPSA-N 317.393 -0.248 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)[C@H](C)c1cncnc1 1132821836 CWQGYJHQEUBTAL-NEPJUHHUSA-N 305.382 -0.023 30 20 DBED C=CCNC[C@@H]1CN(C(=O)CN2CCNC(=O)C2)CC[C@H]1C 1133030482 CRKRXUMMWHTOQW-ZIAGYGMSSA-N 308.426 -0.322 30 20 DBED Cc1ncn(C)c1C(=O)N[C@@H](C)C[C@@H](C)NCC(=O)NCC#N 1134652027 DTQHEMILBOATTC-MNOVXSKESA-N 320.397 -0.145 30 20 DBED CNS(=O)(=O)CC(=O)N[C@H](C)C[C@@H](C)NCC#CCOC 1146466340 UUHPJBYJTOMRSJ-VXGBXAGGSA-N 319.427 -0.942 30 20 DBED C#CCNC(=O)CN1CCCO[C@@H](CNC(=O)c2cc[nH]c2)C1 1149737929 ANVLDMWFGIECLP-AWEZNQCLSA-N 318.377 -0.415 30 20 DBED CCc1ccccc1OCC(=O)NCCNCC(=O)NCC#N 1149818047 JYJICFYVLVVKMM-UHFFFAOYSA-N 318.377 -0.027 30 20 DBED C[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2CN(CC#N)CCCO2)C1 1150417408 KLMJEDVAGAULKY-KGLIPLIRSA-N 322.409 -0.024 30 20 DBED CC(C)(C)n1ccc(C(=O)NCCCNCC(=O)NCC#N)n1 1159195576 RHKTUHFDSQHQKI-UHFFFAOYSA-N 320.397 -0.013 30 20 DBED N#CCNC(=O)CNCCCNC(=O)[C@@H]1CCCc2nccn21 1159924543 LFSTTYSZIKMLGG-LBPRGKRZSA-N 318.381 -0.504 30 20 DBED N#CCN1CC=C(CCNC(=O)C[C@H]2CC(=O)NC2=O)CC1 1162017054 UDFZOPSDAFKFTD-LBPRGKRZSA-N 304.350 -0.299 30 20 DBED C#CCN1CCC(CNC(=O)C(C)(C)C(N)=O)(COC)CC1 1162314965 KMEMHINJRJKOTM-UHFFFAOYSA-N 309.410 -0.024 30 20 DBED COCC#CCNCCCNC(=O)CNC(=O)c1cccnc1 1167166132 YANBVXRTSLCAKX-UHFFFAOYSA-N 318.377 -0.443 30 20 DBED C#CCNC(=O)CNCCCC[C@@H](C)NC(=O)[C@@H](C)CC(N)=O 1174672924 SBCBPBHQTUFFSS-QWHCGFSZSA-N 324.425 -0.488 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@H]1CCc2nncn2C1 1176856659 MRMWPVGURNHUCQ-LBPRGKRZSA-N 320.397 -0.761 30 20 DBED N#CCNC(=O)CNCCCCCCNC(=O)[C@@H]1CCC(=O)N1 1180104267 ZOAKBXTXFNPVKE-LBPRGKRZSA-N 323.397 -0.829 30 20 DBED CC#CCN[C@@H]1CCN(C(=O)[C@H](C)NS(=O)(=O)CC)C1 1182755881 VZKRFYWVUSZTLP-NWDGAFQWSA-N 301.412 -0.472 30 20 DBED CC#CCN[C@@H]1CCN(C(=O)[C@@H]2CCc3nnc(O)n3C2)C1 1183737862 HESRJKCODNIWNW-VXGBXAGGSA-N 303.366 -0.240 30 20 DBED CO[C@H](CC(C)C)C(=O)N1CC[C@@H](NCC(=O)NCC#N)C1 1185476341 BHJWKGVLKJLYNP-CHWSQXEVSA-N 310.398 -0.122 30 20 DBED C#CCCNC[C@H]1CCN(C(=O)CS(=O)(=O)NC)C[C@@H]1C 1185718198 GNDQNOHMACPEFM-QWHCGFSZSA-N 315.439 -0.367 30 20 DBED CN(Cc1nnnn1C)[C@@H]1CCN(C(=O)CSCC#N)C1 1188959363 RMSGEFFFGBXAEE-SNVBAGLBSA-N 309.399 -0.500 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CN(CCCCCn2cncn2)C[C@H]1O 1191881951 MKYKSDRXUVUDNY-BFHYXJOUSA-N 320.397 -0.231 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@H]1CCN(C(=O)CCCN(C)C)C1 1192046280 MGUAHGQPJJWJIG-GJZGRUSLSA-N 322.453 -0.001 30 20 DBED C#CCCN(C)[C@@H]1CCN(C(=O)CCCS(N)(=O)=O)C1 1192093899 NWAFHDQXLOGYJQ-GFCCVEGCSA-N 301.412 -0.389 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(Cc2noc(CC)n2)C[C@H]1O 1192525671 XQRIMDMUUYJKAV-UEKVPHQBSA-N 324.381 -0.380 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)Cc2cscn2)C1 1192696878 YUTJABMASFXNDY-CYBMUJFWSA-N 320.418 -0.032 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2nncs2)C[C@H]1O 1192879369 YQRJCWMOAPIOCV-GHMZBOCLSA-N 310.379 -0.761 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)[C@]23CCC[C@H]2OCC3)C1 1194625313 LEGWGUIRYVWNBT-ANQUJSFKSA-N 322.405 -0.243 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H](CC(C)C)OC)C1 1196036198 ACPDHERMWYWZOX-RBSFLKMASA-N 312.410 -0.141 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1CN(CCCF)C[C@H]1O 1196692201 YQQDCSPWVUPIDA-BFHYXJOUSA-N 315.389 -0.022 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)[C@H](COC)OC)CC1 1197084779 YGYAIYJGYLJPKG-ZDUSSCGKSA-N 313.398 -0.516 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)Cn2ccnc2C)CC1 1198105990 OYZGKVGJZYRCMM-UHFFFAOYSA-N 317.393 -0.525 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)CCc2cncn2C)C1 1198292118 IRQHPEZDWCVICN-HUUCEWRRSA-N 322.409 -0.283 30 20 DBED N#CCNC[C@H]1CN(C(=O)CN2CCCCC2=O)CCCO1 1200872760 BCUCVJQRCJRTSU-ZDUSSCGKSA-N 308.382 -0.270 30 20 DBED C#CCNC[C@H]1CN(C(=O)CCCn2cncn2)CCCO1 1201801594 ZBHRUYFYPZFQIK-AWEZNQCLSA-N 305.382 -0.101 30 20 DBED C#CCN[C@@H]1C[C@H](NC(=O)CCNS(C)(=O)=O)C12CCC2 1202994336 DHAUBIUTRBKVLC-NEPJUHHUSA-N 313.423 -0.424 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2cnn(CC)n2)[C@H](C)C1 1206929522 NWQYGJOEVHLAAT-DGCLKSJQSA-N 318.381 -0.903 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 1209641345 ISMLRFXCGMQFBW-LSDHHAIUSA-N 320.437 -0.342 30 20 DBED C#CCNC(=O)CC(=O)N1CCO[C@@H]2CN(CCCF)C[C@@H]21 1217684177 JHKQKIPCJUEOFI-QWHCGFSZSA-N 311.357 -0.603 30 20 DBED C#CCOCCC(=O)N1CCO[C@@H]2CN(CCCOC)C[C@@H]21 1217868576 MGGXWSMSIRNASY-LSDHHAIUSA-N 310.394 -0.026 30 20 DBED COCC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)C[C@H]1CCOC1 1218582812 UOIBOERHLBYKGH-OWCLPIDISA-N 322.405 -0.026 30 20 DBED C=CCN1CC[C@H](N2C[C@H](O)[C@H](NC(=O)CSC)C2)C1=O 1219157404 VCRNHJLFKZTONU-WOPDTQHZSA-N 313.423 -0.702 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)COc2cccc(OC)c2)C1 1220399173 CWKQUTBDIIRVMK-CABCVRRESA-N 304.346 -0.132 30 20 DBED CC#CCN[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)NS(C)(=O)=O 1228791559 JUNIYPFZKHQWKH-YNEHKIRRSA-N 315.439 -0.036 30 20 DBED N#CCN[C@@H]1CCCC[C@H]1NC(=O)CCn1cc[nH]c(=O)c1=O 1229151092 PBNSKQZTCIGVDQ-VXGBXAGGSA-N 319.365 -0.533 30 20 DBED C=CCN1CCS(=O)(=O)[C@@H](CCNC(=O)[C@H]2CCCO2)C1 1230416341 GCJMTPXKTZUUKC-QWHCGFSZSA-N 316.423 -0.043 30 20 DBED C=CCNC(=O)NC(=O)CN1CC[C@@H]1CN(C)C(=O)[C@H](C)C#N 1231249088 YNBVRXJUNMVIBZ-VXGBXAGGSA-N 321.381 -0.309 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N(C)CCS(=O)(=O)CC 1261154888 VBZCYVOQUYEVMO-JTQLQIEISA-N 306.384 -0.803 30 20 DBED C#CCOc1ccccc1CNC(=O)C(=O)N1CCNCC1 1261378389 YBHFMQLBHPBZOK-UHFFFAOYSA-N 301.346 -0.253 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC[C@H](NC(=O)Cc2cnoc2)C1 1316948989 JXXIXJJZINKUQB-JSGCOSHPSA-N 318.377 -0.064 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](CO)CC(F)F)C1=O 1320760353 IFTCIRZINNBHAA-ZETCQYMHSA-N 319.264 -0.905 30 20 DBED CCC(=O)N1CC[C@@H](NC(=O)C(=O)N2CC[C@@](F)(C#N)C2)C1 1323278204 NEALZNUZKTXDPL-QMTHXVAHSA-N 310.329 -0.422 30 20 DBED C[C@@H](CNC(=O)C(=O)N1CC[C@@](O)(CC#N)C1)Cn1cccn1 1326069140 HXCWNQFUBFCRLB-WFASDCNBSA-N 319.365 -0.488 30 20 DBED C=CCn1cc(C(=O)N2CCC([C@@H](O)C(=O)OC)CC2)nn1 1326653513 JVATZZGTVGTEDJ-GFCCVEGCSA-N 308.338 -0.150 30 20 DBED CCCCCCCNC(=O)C(=O)N1CC[C@H](S(N)(=O)=O)C1 1329832145 ZNJWUOPGAOWKMR-NSHDSACASA-N 319.427 -0.038 30 20 DBED NC(=O)c1cnc(C(=O)N[C@H]2CCCN(O)C2=O)c(Cl)c1 1332906462 HMYRVXQVXDLOOD-QMMMGPOBSA-N 312.713 -0.056 30 20 DBED C#CCN(C(=O)C(=O)NCc1nnnn1CC1CC1)C(C)C 1333068650 RILIPRZQFFSZDG-UHFFFAOYSA-N 304.354 -0.431 30 20 DBED C#CCOCCn1nnnc1N1CCN(c2ncccn2)CC1 1336019088 RUVOHCNQAMZEQX-UHFFFAOYSA-N 314.353 -0.561 30 20 DBED C#CCCCn1nnnc1N1CCN(S(=O)(=O)CC)CC1 1343889685 UQPIIJYFDVJDKX-UHFFFAOYSA-N 312.399 -0.442 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N[C@@H]1CCCS(=O)(=O)C1 1346301927 GJKZFSVKIVANOH-GFCCVEGCSA-N 310.375 -0.835 30 20 DBED COCCN(Cc1cccnc1)C(=O)NCC(=O)NCC#N 1346659239 ROLLJFONAXVIEY-UHFFFAOYSA-N 305.338 -0.121 30 20 DBED CN1CCN(C(=O)CNC(=O)c2cccc(C#CCO)c2)CC1 1350848588 DSRZMRAHGBHVTN-UHFFFAOYSA-N 315.373 -0.466 30 20 DBED Cn1ccnc1[C@H]1C[C@@H](NC(=O)Cn2cnc(C#N)n2)CCO1 1362535878 JYGVFTFSDIGNKA-WDEREUQCSA-N 315.337 -0.080 30 20 DBED Cc1nc(CN(C)C(=O)Cn2cc(C#N)c(O)nc2=O)no1 1362782110 YWCDAUFPTBHOQT-UHFFFAOYSA-N 304.266 -0.829 30 20 DBED C[C@H](C(=O)N1CCC[C@H](NC(=O)N(C)C)C1)n1cnc(C#N)n1 1363024457 QUHWQUVPQJCPIL-MNOVXSKESA-N 319.369 -0.027 30 20 DBED C[C@H](CC(=O)NCCn1cc(C#N)c(O)nc1=O)n1cccn1 1363287897 PCKGACWNKXDTJV-SNVBAGLBSA-N 316.321 -0.215 30 20 DBED CNC(=O)Cc1noc(CN2CCC(C#N)(C(=O)OC)CC2)n1 1363794099 XCXNEHZBSSNFBG-UHFFFAOYSA-N 321.337 -0.363 30 20 DBED C[C@@H]1CCN(C(=O)NCCn2cnc(C#N)n2)CC[S@@]1=O 1365586931 PSVPUMWOTGPJBL-UZJPJQLHSA-N 310.383 -0.298 30 20 DBED COCCN(CCNC(=O)[C@@H](C)C#N)[C@H](C)c1nnnn1C 1380106991 VNXMEXJWKTWGRF-WDEREUQCSA-N 309.374 -0.505 30 20 DBED CCN1CCOC[C@H]1C(=O)NCC1(NC(=O)[C@H](C)C#N)CC1 1393720033 XRIRLAVYEXADET-NEPJUHHUSA-N 308.382 -0.368 30 20 DBED COCC(=O)NCCC(=O)N[C@@]1(C)CCN(C(=O)[C@@H](C)C#N)C1 1394284160 JIURRCPZQBJQHM-NHYWBVRUSA-N 324.381 -0.594 30 20 DBED COCCN(CCNC(=O)[C@@H](C)C#N)C(=O)c1c[nH]c(=O)cn1 1405765831 WUNQWDLSQYVOKK-JTQLQIEISA-N 321.337 -0.866 30 20 DBED C[C@@H](C#N)C(=O)NC1CN(C(=O)[C@@H]2CCCCN2C(N)=O)C1 1416047181 PERQNQDXBIUBHE-ONGXEEELSA-N 307.354 -0.594 30 20 DBED Cn1c(C#N)ccc1C(=O)NCCN1CCS(=O)(=O)CC1 1433657427 BCMQRWCPDVUSKO-UHFFFAOYSA-N 310.379 -0.643 30 20 DBED CC1CCN(C(=O)CNC[C@@H](O)CNC(=O)[C@H](C)C#N)CC1 1438981033 IUPKHUNFZCOGFA-CHWSQXEVSA-N 310.398 -0.529 30 20 DBED CN(CCNS(C)(=O)=O)Cc1cc(O)n2ncc(C#N)c2n1 1473157146 AOKGPCSBDXCAHT-UHFFFAOYSA-N 324.366 -0.712 30 20 DBED C=CCCOCC(=O)N1CC[C@H](N[C@@H]2CCC(=O)NC2=O)C1 1480624644 FPDALIHTEKGBLE-NWDGAFQWSA-N 309.366 -0.425 30 20 DBED CC(=O)N(C)CC(=O)NC[C@H]1CCCN(C(=O)[C@@H](C)C#N)C1 1494260646 DVTAKIZRFLXCGM-WCQYABFASA-N 308.382 -0.021 30 20 DBED C[C@@H](CNCc1nc(=O)n(C)[nH]1)CNC(=O)c1cc(C#N)c[nH]1 1495646494 ZVUOGJCUHBVYEE-VIFPVBQESA-N 317.353 -0.536 30 20 DBED Cc1ccnc(CNC[C@@H](O)CNC(=O)c2cc(C#N)c[nH]2)n1 1496961503 PLABTAVIHJNYPY-GFCCVEGCSA-N 314.349 -0.135 30 20 DBED CCc1n[nH]cc1C(=O)N1CC[C@H](NCC(=O)NCC#N)C1 1566768458 STIWVYIFAICCBF-JTQLQIEISA-N 304.354 -0.584 30 20 DBED C#CCOCCC(=O)NCC1(NC(=O)[C@@H]2C[C@H]2C(=O)O)CC1 1573311327 MPLYGVSAFUBGGJ-GHMZBOCLSA-N 308.334 -0.488 30 20 DBED C=CCNC(=O)CN1CCC(N(C)C(=O)[C@H]2C[C@@H]2C(=O)O)CC1 1573369030 VNVTZKOAKYTWSM-STQMWFEESA-N 323.393 -0.068 30 20 DBED CC(C)C(=O)NCCN(C)c1cnc(-c2nn[nH]n2)c(C#N)n1 1573965363 UDQOGKZJWMWSOH-UHFFFAOYSA-N 315.341 -0.263 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@H]1COCCN1CCc1cnn[nH]1 1575075034 ZCESGSLSULZRHA-UKRRQHHQSA-N 323.397 -0.509 30 20 DBED C=C(C)CNC[C@H](O)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 1588429198 QIPRTQIUGDHSEJ-JTQLQIEISA-N 305.342 -0.549 30 20 DBED C[C@](C#N)(NC(=O)CN1CCN(C(=O)C(=O)O)CC1)C1CC1 1588542708 CDRWOJFTVOTDCF-CQSZACIVSA-N 308.338 -0.976 30 20 DBED C[C@](C#N)(CC(=O)O)C(=O)NC[C@]12COCCN1C(=O)OC2 1588557249 HZBMLETUFROLFQ-CHWSQXEVSA-N 311.294 -0.672 30 20 DBED C=C(CCC(=O)O)C(=O)N1CC(n2cc(C(=O)OC)nn2)C1 1588613629 APUGRWVKEDGLTI-UHFFFAOYSA-N 308.294 -0.131 30 20 DBED C=CCOCC(=O)NC[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2C(=O)O)C1 1588851037 QIHSQINGPWIQRQ-DDHJBXDOSA-N 310.350 -0.079 30 20 DBED N#Cc1nc(N[C@@H](CO)[C@@H]2CCOC2)cnc1-c1nn[nH]n1 1592707907 JLQBFVXMMWKCLJ-APPZFPTMSA-N 302.298 -0.662 30 20 DBED C[C@@H]1CN(C(=O)C(=O)Nc2cnn(CC#N)c2)C[C@H]1C(=O)O 1599851975 ZNLGFTVQALPFBL-PSASIEDQSA-N 305.294 -0.476 30 20 DBED N#C[C@H]1CN(S(=O)(=O)NCc2ccc(C(=O)O)o2)CCO1 1601063451 RPVCCDWNYIHLIM-VIFPVBQESA-N 315.307 -0.463 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nn[nH]n3)n2)C1 1602983440 IYRNYMZDIOUKDC-HLTSFMKQSA-N 313.325 -0.125 30 20 DBED C#CC[C@@H](NC(=O)c1cc(C)c(-c2nn[nH]n2)cn1)C(=O)OC 1609019683 BUVYCMORKXNVQH-SNVBAGLBSA-N 314.305 -0.135 30 20 DBED CN(CCC#N)C[C@@H](O)CN[C@@H]1CCN(c2cnn(C)c2)C1 1645853552 OUSYUHGSYSQPIY-HIFRSBDPSA-N 306.414 -0.205 30 20 DBED C[C@@H](CNC(=O)N1CC[C@@](O)(CC#N)C1)N1CCN(C)CC1 1649321234 LJLUJIGRBWAWKI-ZFWWWQNUSA-N 309.414 -0.318 30 20 DBED Cn1c(=O)[nH]c(N[C@@H]2CCN(CC(F)(F)F)C2)c(C#N)c1=O 1650226225 KBMPHIIDPVWKEZ-SSDOTTSWSA-N 317.271 -0.006 30 20 DBED C#CCNC(=O)CN1CCC[C@H](NC(=O)CCN(C)CC)C1 1713793135 NMNBPHSZVWQNGQ-AWEZNQCLSA-N 308.426 -0.342 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC[C@H](NC(=O)c2nnn(C)c2C)C1 1713819225 AOLOUUQNMSRERH-NEPJUHHUSA-N 320.397 -0.382 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C1CCN(CCOCCO)CC1 1752299342 CXHDEFPYJBABHL-AWEZNQCLSA-N 312.410 -0.044 30 20 DBED C#CCNC(=O)CN1CCC[C@@H](CNC(=O)COCCC)C1 1752778451 JIGRIMMTQZVRTI-AWEZNQCLSA-N 309.410 -0.009 30 20 DBED C#CCNC(=O)CN[C@H](C)CNC(=O)c1ccc2nonc2c1 1752897892 JTIYTBWBLCBSGV-SNVBAGLBSA-N 315.333 -0.320 30 20 DBED COCC#CCN1CCC[C@H]1CNC(=O)CCn1cncn1 1753097766 AUCFAJQFSSCLBK-AWEZNQCLSA-N 305.382 -0.101 30 20 DBED C=CCOCCN1CC(NC(=O)[C@]2(C)CCCS2(=O)=O)C1 1753387866 BKZGTPVVFBTYQC-AWEZNQCLSA-N 316.423 -0.043 30 20 DBED C#CCCCC(=O)NCC1CN(CCCN2C(=O)CNC2=O)C1 1753401134 TZLHXLFPXRDSPQ-UHFFFAOYSA-N 320.393 -0.220 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@H]1CN(Cc2cn(C)nn2)CCO1 1753649941 KAFKTNNSBOCOHB-HIFRSBDPSA-N 323.397 -0.541 30 20 DBED Cn1cnnc1COCC(=O)N1CCC2(CC1)CN(CC#N)C2 1753677232 MSKREYWGDDZLTG-UHFFFAOYSA-N 318.381 -0.220 30 20 DBED Cn1ncc(C(=O)NC[C@H](O)CNCC#N)c1C(F)(F)F 1753918171 TZGFERVMIQXARS-SSDOTTSWSA-N 305.260 -0.357 30 20 DBED C#CCNC[C@@H]1CCCN1C(=O)CN1CCCCS1(=O)=O 1754614887 SPMDPAZINPWWMV-ZDUSSCGKSA-N 313.423 -0.374 30 20 DBED C#CCNC(=O)[C@H](C)N1CC(O)(CNC(=O)CC(C)(C)C=C)C1 1754768185 DSAUXZBULLWGAH-ZDUSSCGKSA-N 321.421 -0.111 30 20 DBED N#CCNC1CCN(CCNC(=O)CCCn2cncn2)CC1 1754849824 IHHDCWAZGOOESY-UHFFFAOYSA-N 319.413 -0.248 30 20 DBED C#CCCNCCN(CCO)C(=O)[C@@H]1CCCc2nn[nH]c21 1754890192 KKMMNJRIEMSVAZ-GFCCVEGCSA-N 305.382 -0.342 30 20 DBED CN1CCC(OCC(=O)NC2(CNCC#N)CCOCC2)CC1 1755098449 SVJFHSCUOIXMAH-UHFFFAOYSA-N 324.425 -0.124 30 20 DBED C=CCCCN1CC(CCO)(NC(=O)[C@@H]2CN(C)C(=O)N2)C1 1755335243 AAHGCLUFSFOBRV-LBPRGKRZSA-N 310.398 -0.471 30 20 DBED CNC(=O)CNCCCOC1CCN(C(=O)[C@@H](C)C#N)CC1 1755344462 YXXQSXSJSSJLME-LBPRGKRZSA-N 310.398 -0.121 30 20 DBED N#CCN1C[C@H]2CC[C@H]1CN2C(=O)CCCS(N)(=O)=O 1755397882 XNEBQINSEIQLDE-WDEREUQCSA-N 300.384 -0.746 30 20 DBED C=C(C)CN(CC)C(=O)[C@@H](C)NC[C@H]1C[C@H](NC(=O)C(N)=O)C1 1755477424 TYIBKQGQDLGXSL-JHJVBQTASA-N 324.425 -0.231 30 20 DBED CC(=O)NCC(=O)N[C@@H](C)[C@H](C)NC(=O)CSCC#N 1755947751 PRDCGNIOURJGOW-IUCAKERBSA-N 300.384 -0.611 30 20 DBED C#CCNC(=O)CC(=O)N(C)[C@H](C)CNC(=O)c1cncs1 1756005965 NUANJZLPAMJDHX-SNVBAGLBSA-N 322.390 -0.141 30 20 DBED C#CCOCCC(=O)N1CC([C@@H](C)NC(=O)[C@H]2CCN(C)C2)C1 1756143068 JBWGZANCVMYBMQ-KGLIPLIRSA-N 321.421 -0.059 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H](C2CC2)N(C)C(=O)C(N)=O)nc1 1756420861 JVYYXQWLAJCIKS-ZDUSSCGKSA-N 314.345 -0.485 30 20 DBED C=CC(C)(C)C(=O)N[C@@H](CO)CNC(=O)C[C@@H]1CCC(=O)N1 1756531517 AIYMGFIXSZFHBW-WDEREUQCSA-N 311.382 -0.539 30 20 DBED C#CCCCC(=O)N[C@H](CO)CNC(=O)c1[nH]cnc1CC 1756542769 MTBFSHCLSFMWKT-NSHDSACASA-N 306.366 -0.018 30 20 DBED C=CC[C@@]1(C(=O)O)CCN(Cc2cc(=O)n(C)c(=O)n2C)C1 1776162129 QNDFOZPVRMIOIZ-OAHLLOKOSA-N 307.350 -0.063 30 20 DBED COCCn1cc(Nc2c(C#N)c(=O)n(C)c(=O)n2C)cn1 76871804 OMXQUDUESMKMAF-UHFFFAOYSA-N 304.310 -0.458 30 20 DBED CCN(CCC#N)C(=O)CN(C)C[C@@H](O)CN1CCOCC1 83244961 ZJJIISBQQBEMFH-CQSZACIVSA-N 312.414 -0.627 30 20 DBED COCCOCCCCNc1c(C#N)c(=O)n(C)c(=O)n1C 154573540 CJAXSMSQYUHHKD-UHFFFAOYSA-N 310.354 -0.189 30 20 DBED CCOC(=O)CO/N=C(/C(=O)N1CC[C@H](CO)C1)c1cc[nH]n1 278448246 GAISQPMLMAAIDM-DLPJZNJTSA-N 324.337 -0.466 30 20 DBED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)NCCOCCOC 284339983 VEVWYBJFOWVJFC-CHWSQXEVSA-N 314.382 -0.137 30 20 DBED C=C[C@@H](CO)NC(=O)Nc1cnn(CCN2CCOCC2)c1 290524021 WYRICEAPWRKKOE-LBPRGKRZSA-N 309.370 -0.116 30 20 DBED COC(=O)[C@H](CNC(=O)C(=O)Nc1ccc(F)cc1C#N)OC 293342255 KOBJGCQSLLHINC-NSHDSACASA-N 323.280 -0.060 30 20 DBED C#CCNC(=O)[C@H](C)N(C)C[C@@H](O)CNC(=O)OC(C)(C)C 296982702 ZDVYQDGQAASKQN-RYUDHWBXSA-N 313.398 -0.058 30 20 DBED CCN1CCN([C@H](C)C/N=C(/O)Cn2ncn(C)c2=O)CC1 329082273 DNODXXTTXMXGBF-GFCCVEGCSA-N 310.402 -0.436 30 20 DBED C[C@H](C/N=C(/O)CN1CCOCC1=O)CN1CCN(C)CC1 329820719 AGMOJZGKWGPTRX-CYBMUJFWSA-N 312.414 -0.315 30 20 DBED C=CCn1c(O)nnc1S(=O)(=O)CC(=O)N1CCCCC1 331178769 MBEVHBDVRWUFAV-UHFFFAOYSA-N 314.367 -0.044 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)NC[C@@H]1CCCS1(=O)=O 336940855 JKWAWRVPBXAUCK-ZJUUUORDSA-N 309.413 -0.511 30 20 DBED CCN1CCCC[C@H]1CNS(=O)(=O)N1CCO[C@H](C#N)C1 337097968 SODGHTPBKHBBHT-QWHCGFSZSA-N 316.427 -0.080 30 20 DBED C=CC[C@@H](CO)CNC(=O)NC[C@H]1CCCN1S(C)(=O)=O 341846652 USQJVDJTUKTPPB-VXGBXAGGSA-N 319.427 -0.106 30 20 DBED C[C@@H](C(=O)NC1(C#N)CCC1)N(C)C[C@@H](O)CN1CCOCC1 346508249 RZVAIOALJNSLOJ-UONOGXRCSA-N 324.425 -0.438 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1C[C@H]2CCS(=O)(=O)[C@H]2C1 353136113 JUYGXOZSNXIEOX-AXFHLTTASA-N 315.395 -0.494 30 20 DBED Cn1ncc(C(=O)NCCCN2CCC[C@H](C(N)=O)C2)c1C#N 355542246 DWKRMYRUMXMRCK-NSHDSACASA-N 318.381 -0.391 30 20 DBED C=CCOC[C@@H](NC(=O)c1cnc2c(c1)nnn2C)C(=O)OC 360738314 OZIYBSFDBSDBOE-LLVKDONJSA-N 319.321 -0.163 30 20 DBED C=CCn1cc(CNC(=O)N[C@@H](C)CN2CCN(C)CC2)nn1 425461436 BUJLEESSSJJUQR-ZDUSSCGKSA-N 321.429 -0.101 30 20 DBED N#Cc1ncccc1S(=O)(=O)NCCNc1cnccn1 428263033 HTZFXNBVDARNTC-UHFFFAOYSA-N 304.335 0.134 30 20 DBED Cn1cc([C@@H](CO)NS(=O)(=O)c2cccnc2C#N)cn1 428371107 UOKALKALRRQGEW-LLVKDONJSA-N 307.335 -0.301 30 20 DBED C=CCNC(=O)NC(=O)CN1CCC([C@H](O)C(=O)OC)CC1 441239389 OKBPNWRAOIZFGN-LBPRGKRZSA-N 313.354 -0.756 30 20 DBED COC(=O)[C@@H]1COCCN1S(=O)(=O)CC1(CC#N)CC1 451268874 NHCCTCPBYWDYBF-JTQLQIEISA-N 302.352 -0.116 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@@H](C)OCCC=C)CC1 491127404 WLIRISYRPNQIDJ-CQSZACIVSA-N 307.394 -0.139 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)COc2ccccc2)CC1 491209970 OFWCPGNLHCOMIH-UHFFFAOYSA-N 315.373 -0.041 30 20 DBED COC(=O)N(C)CC(=O)NS(=O)(=O)c1cncc(C#N)c1 496307545 MLADAKNHNLKLSR-UHFFFAOYSA-N 312.307 -0.544 30 20 DBED C=CCOC[C@@H](NS(=O)(=O)c1c(N)noc1C)C(=O)O 517234042 ORRHSCFNXRFSTJ-SSDOTTSWSA-N 305.312 -0.501 30 20 DBED N#Cc1cc(F)c(S(=O)(=O)NC[C@H](O)C(=O)O)c(F)c1 548260020 KPWXDQOOSKKIPJ-QMMMGPOBSA-N 306.246 -0.440 30 20 DBED C[C@@H](C(=O)NC(N)=O)N1CCN(c2cnccc2C#N)CC1 559259551 GTULXLUARJNIHC-JTQLQIEISA-N 302.338 -0.341 30 20 DBED C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 565248969 CDNUJFLLLFYDQE-RVMXOQNASA-N 308.382 -0.327 30 20 DBED CN(C)C[C@@](C)(C#N)NC(=O)CCn1nc2ccccn2c1=O 571885450 NKNFQPUILVJMKU-OAHLLOKOSA-N 316.365 -0.154 30 20 DBED C[C@H]1CN(C(=O)Nc2nn(C)cc2C#N)C[C@H](C)S1(=O)=O 589333132 WIFYFDSYIPXAGW-IUCAKERBSA-N 311.367 0.331 30 20 DBED CCN(CC(=O)NCCCN(C)S(C)(=O)=O)[C@@H](C)C#N 595813401 MGGGLRZZMOLJDH-NSHDSACASA-N 304.416 -0.382 30 20 DBED N#Cc1ncn(CCNC(=O)[C@@H]2CC(=O)N[C@@H]3CCCC[C@@H]32)n1 597642565 GBPCHHKMMASMQY-IJLUTSLNSA-N 316.365 -0.039 30 20 DBED CN(CCC#N)S(=O)(=O)N1CCC(N2CCOCC2)CC1 599501538 ZLERODPCTYNBIP-UHFFFAOYSA-N 316.427 -0.127 30 20 DBED C[C@H](C(=O)N(C)CCCc1[nH]nc(N)c1C#N)[C@@H]1CCC(=O)N1 599732159 LHUOBIMAYFDOSQ-ONGXEEELSA-N 318.381 0.169 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H](C)[C@H]1CN(C)CCO1 619712241 MGPDKICBUHKYQG-GRYCIOLGSA-N 304.416 -0.369 30 20 DBED CC#CC[C@H](CO)NC(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 645211962 WOXIALIHIRSDNS-NWDGAFQWSA-N 317.411 -0.516 30 20 DBED C=CCOC[C@@H](NC(=O)Cc1nnn(C(C)(C)C)n1)C(=O)O 659157315 STPIJPIVCUBWAJ-SECBINFHSA-N 311.342 -0.257 30 20 DBED C=CCCC(=O)OCC(=O)N1CCN(CC(=O)N(C)C)CC1 726649875 HAGZCOXGOGERQG-UHFFFAOYSA-N 311.382 -0.272 30 20 DBED Cc1ccc(S(N)(=O)=O)cc1C(=O)OCC(=O)NCC#N 731234700 IUMYUPLPWIQDEY-UHFFFAOYSA-N 311.319 -0.561 30 20 DBED C#CCNC(=O)[C@@H](C)OC(=O)c1ccc(CS(N)(=O)=O)cc1 746628890 SALDGSUBZJCDBG-SNVBAGLBSA-N 324.358 -0.230 30 20 DBED O=C(C#Cc1ccc2c(c1)OCO2)N1CC[C@H](CO)[C@@H](O)C1 763265832 KGAKBPDWONGAFP-OLZOCXBDSA-N 303.314 -0.032 30 20 DBED Cc1onc(CC(=O)N2CCN(CC[S@](C)=O)CC2)c1C#N 779519301 JXVQEIHCCVZEPJ-QFIPXVFZSA-N 324.406 -0.080 30 20 DBED C#CCN1CCC(C(=O)N[C@@H](Cn2ccnc2)C(=O)OC)CC1 779565944 IGBYYTKGSMLTIK-AWEZNQCLSA-N 318.377 -0.114 30 20 DBED C#CCOCCNC(=O)N1CCN([C@H](C)C(=O)NC2CC2)CC1 784548063 BPSAFVZCTXMTMK-CYBMUJFWSA-N 322.409 -0.370 30 20 DBED C[C@H]1CN(C)C(=O)CN1C(=O)C(=O)NCc1cccc(C#N)c1 787344693 LWMWOGHRCHNBRW-NSHDSACASA-N 314.345 -0.136 30 20 DBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC(=O)O 818053488 PMTQGVHCLPKWIC-MRVPVSSYSA-N 312.303 -0.147 30 20 DBED C[C@@](C#N)(CC(=O)O)C(=O)N1CCC[C@H](NS(C)(=O)=O)C1 819810866 GVHMIOOLXZZHPP-CABZTGNLSA-N 317.367 -0.469 30 20 DBED C=CCn1cc(C(=O)OCCN2C(=O)NC(C)(C)C2=O)nn1 830131013 NTPRVPBTFDRDLO-UHFFFAOYSA-N 307.310 -0.049 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCC(C)(C(=O)O)CC1)[C@H]1CCCO1 843257480 PXIUETQUBYGRCX-NWDGAFQWSA-N 322.361 -0.003 30 20 DBED N#Cc1ccc(NCCNC(=O)C(=O)NCCCC(=O)O)nc1 843259663 QQLNMXOAMGXDQU-UHFFFAOYSA-N 319.321 -0.538 30 20 DBED C/N=C(/NCCc1cnc(C)cn1)NCCN1CCOCC1 849039792 RZNLSLBWTSDGRA-UHFFFAOYSA-N 306.414 -0.175 30 20 DBED C/N=C(/NCCN1CCOCC1)NCCS(=O)(=O)C(C)C 849079913 JLUFOARYRXIWNN-UHFFFAOYSA-N 320.459 -0.693 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2cnn(CC)c2C)CC1 865157484 VSWCZXFBIACMLC-UHFFFAOYSA-N 317.393 -0.281 30 20 DBED C=C(C)CN1CCC(NC(=O)N(C)CCS(N)(=O)=O)CC1 872882386 VYTIOCBGLXGGBH-UHFFFAOYSA-N 318.443 -0.043 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N1C[C@H](C)O[C@H](CO)C1 875596929 WPFHHFDDWBFPQG-XQQFMLRXSA-N 312.366 -0.861 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N(CCO)CC(F)F 875598553 ZVBJMPXRADQQSK-SNVBAGLBSA-N 306.309 -0.383 30 20 DBED C#Cc1ccc(C(=O)N(CC)[C@H]2CCN(C(=O)C(N)=O)C2)nc1 942893141 MCRGHZQXADOTNE-LBPRGKRZSA-N 314.345 -0.389 30 20 DBED C#CCN1CC[C@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)[C@@H](C)C1 943986848 HEPFHXDZFNKVGW-RYUDHWBXSA-N 320.393 -0.223 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCN(CC(=O)NC)[C@@H](C)C2)nn1 947792711 QTLCPTYHVJIJOW-RYUDHWBXSA-N 320.397 -0.207 30 20 DBED C=C(Cl)CN1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 950478723 HDPOOKPHCMEUDQ-WDEREUQCSA-N 301.774 -0.084 30 20 DBED CN(C(=O)[C@H]1CCNC1=O)C1CN(C(=O)c2c[nH]c(C#N)c2)C1 954962630 VDLJCWSKQOPFQW-LBPRGKRZSA-N 315.333 -0.695 30 20 DBED C[C@H](C#N)C(=O)N1CCCC[C@]2(CCN(C(=O)C(N)=O)C2)C1 956566130 VEWSVAVZGFYDDP-ABAIWWIYSA-N 306.366 -0.137 30 20 DBED COc1nc(C)ncc1C(=O)NC[C@H]1CN(CC#N)C[C@@H]1O 958122506 WRCGTMICVJCTDP-JQWIXIFHSA-N 305.338 -0.660 30 20 DBED CC(=O)Nc1cccnc1C(=O)NC[C@H]1CN(CC#N)C[C@@H]1O 958126277 LFFUMMLOTFSVDY-AAEUAGOBSA-N 317.349 -0.414 30 20 DBED Cc1c(C(=O)NC[C@H]2CN(CC#N)C[C@H]2O)c(Cl)nn1C 958630853 LZAOXXGOTHOUFJ-VHSXEESVSA-N 311.773 -0.072 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C#N)[nH]2)C1 958826222 LUGDZQXWXOBOPS-ICCXJUOJSA-N 315.333 -0.310 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2ccsn2)C1 958875716 YLBHDLCZHKOXRA-LSJOCFKGSA-N 308.363 -0.054 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C23CCN(CC2)C3)C1 958896787 AKMQXTLEVRHQMQ-AVGNSLFASA-N 320.393 -0.728 30 20 DBED Cc1ncncc1C(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 961707982 XZEHQYXUXOHPCT-KGLIPLIRSA-N 314.345 -0.500 30 20 DBED C#CCN1C[C@H]2C(NC(=O)c3ccc(-n4cnnn4)cc3)[C@@H]2C1 962482276 ZQTWATWQDWLQIG-ZIAGYGMSSA-N 308.345 -0.045 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)C(N)=O)CC1 965138537 BZDPBJZXKGOXOV-UTUOFQBUSA-N 309.366 -0.440 30 20 DBED C[C@H](C#N)C(=O)N1CC2(C[C@H](NC(=O)c3cnccn3)CO2)C1 965621521 DJHAFFSLFKMUBO-MNOVXSKESA-N 315.333 -0.264 30 20 DBED N#Cc1cc(C(=O)N[C@H]2[C@@H]3CN(C(=O)Cn4cccn4)C[C@@H]32)c[nH]1 976386197 KDYYKVOTTCMPEA-NHAGDIPZSA-N 324.344 -0.030 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)c3ccc(C(N)=O)[nH]3)[C@H]2C1 977213988 YIYSIPNXKDSZMJ-APOZVJGGSA-N 315.333 -0.540 30 20 DBED CC#CCN1C[C@@H]2C(CNC(=O)c3cnc(O)n(C)c3=O)[C@H]2C1 978591463 CNIQHYVIYHSQPW-CHWSQXEVSA-N 316.361 -0.583 30 20 DBED N#CCN1C[C@H]2[C@H](CNC(=O)[C@@H]3CCc4nncn4C3)[C@H]2C1 979088997 NVDPJELMBZGRMW-LPWJVIDDSA-N 300.366 -0.342 30 20 DBED C=CCN1CCCC2(C1)CN(C(=O)CN1CC(=O)NC1=O)C2 982073626 ZIONBQQLMADMTO-UHFFFAOYSA-N 306.366 -0.351 30 20 DBED C#Cc1cncc(C(=O)NC[C@@H]2CCN(C(=O)C(N)=O)C2)c1 983204692 ZAOLLVCNFRMIPL-NSHDSACASA-N 300.318 -0.874 30 20 DBED N#Cc1cc(C(=O)NC2CN(C(=O)CC3OCCCO3)C2)c[nH]1 990932594 XHDUHBXWQHABPO-UHFFFAOYSA-N 318.333 -0.020 30 20 DBED N#Cc1cc(C(=O)N2CC(NC(=O)Cc3cncnc3)C2)c[nH]1 991069573 DDLBXFAKEOCWKZ-UHFFFAOYSA-N 310.317 -0.140 30 20 DBED Cc1ccn(CC(=O)NC2CN(C(=O)[C@H](C)C#N)C2)c(=O)c1 991601245 NTNSGARKPZBCOW-LLVKDONJSA-N 302.334 -0.357 30 20 DBED CN(C)c1cnc(C(=O)NC2CN(C(=O)C#CC3CC3)C2)cn1 991845768 VYQABBVDLCONTG-UHFFFAOYSA-N 313.361 -0.103 30 20 DBED CC(C)c1nnnn1CC(=O)NC1CN(C(=O)[C@@H](C)C#N)C1 991955581 JSALMYYVUQKCBQ-VIFPVBQESA-N 305.342 -0.717 30 20 DBED N#Cc1cc(C(=O)N2CC(NC(=O)[C@@]34COC[C@@H]3C4)C2)c[nH]1 993474838 CZNIMQZGZVAFBR-BONVTDFDSA-N 300.318 -0.137 30 20 DBED C[C@H](C#N)C(=O)N1CC(NC(=O)[C@H]2CCc3cncn3C2)C1 994616747 SENYGGJITZCWOR-MNOVXSKESA-N 301.350 -0.068 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC2(CCC(NC(=O)C(N)=O)CC2)C1 994742352 GUQLNTHFOMKVNX-NLTNOIMHSA-N 322.365 -0.712 30 20 DBED O=C(C[C@@H]1CCCC(=O)N1)NC1CN(C(=O)C#CC2CC2)C1 996796158 IXKNOOISVQGKKK-LBPRGKRZSA-N 303.362 -0.214 30 20 DBED C#CCNC1CC(N(C)C(=O)Cc2ccc(C(N)=O)nc2)C1 998987586 ULJYYGYGCKJTIF-UHFFFAOYSA-N 300.362 -0.065 30 20 DBED COCCN1C[C@@H](C(=O)N2CCC[C@H](NCC#N)C2)CC1=O 999297498 HTWRWMOOZNVNMS-STQMWFEESA-N 308.382 -0.415 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C(N)=O 1003125195 RTGQVVGZVFMYCF-KVSVUVNWSA-N 321.377 -0.299 30 20 DBED C=CCCN1CCC(NC(=O)[C@H]2CCS(=O)(=O)N2)CC1 1004166738 KXLLXTPJLDOJMI-GFCCVEGCSA-N 301.412 -0.165 30 20 DBED CCC(=O)N1CC[C@@H](C(=O)NCC2CN(C(=O)[C@H](C)C#N)C2)C1 1004365852 JONFKIPKBVCUPM-DGCLKSJQSA-N 320.393 -0.021 30 20 DBED C#CCCN1CCC[C@H](NC(=O)[C@@H]2COCCN2C(C)=O)C1 1009579431 NXNUMEFHSVRBEI-GJZGRUSLSA-N 307.394 -0.162 30 20 DBED C[C@H]1C[C@@H](CNC(=O)c2c[nH]c(C#N)c2)CN1C(=O)CC(N)=O 1010078375 KFKOGPJPSYPPAE-UWVGGRQHSA-N 317.349 -0.271 30 20 DBED C#CCN1CC[C@H](NC(=O)[C@@H]2COCCN2CC(F)F)C1 1015397564 KMRQKAFKNWAOIQ-RYUDHWBXSA-N 301.337 -0.224 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2CCN(Cc3nc(O)n[nH]3)C2)nc1 1016020691 UEMWODNFLSXYPA-NSHDSACASA-N 312.333 -0.109 30 20 DBED C#CCN1CCC2(CC1)C[C@H]2NC(=O)C[C@@H]1CC(=O)NC1=O 1017003758 OGIPDYMDBPHRSN-VXGBXAGGSA-N 303.362 -0.357 30 20 DBED CC#CCN1CCC[C@@H](CNC(=O)c2nnc(O)nc2O)C1 1023468520 WQJKLKJPECCQFK-JTQLQIEISA-N 305.338 -0.252 30 20 DBED N#CCNC1CCC(NC(=O)[C@H]2CCS(=O)(=O)N2)CC1 1026607733 RXIQRCGDQOPDDH-VQXHTEKXSA-N 300.384 -0.781 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)[C@]1(C)CNC(=O)C1 1026622107 QMTWFQZEICWSAQ-NDGTYSDOSA-N 317.389 -0.111 30 20 DBED N#CCN1CC[C@H](CNC(=O)c2cn([C@H]3CCOC3)nn2)C1 1028917567 MSMVGGBESHBRMF-NEPJUHHUSA-N 304.354 -0.185 30 20 DBED C#Cc1ccc(C(=O)NCC2CN([C@H](CC)C(N)=O)C2)nc1 1032136793 GPJZIQYZRCIULZ-CQSZACIVSA-N 300.362 -0.012 30 20 DBED C#CCN1CCC2(CCN(C(=O)C[C@@H]3CC(=O)NC3=O)CC2)C1 1035260003 AGWVUFOTINGNJU-ZDUSSCGKSA-N 317.389 -0.013 30 20 DBED CC(C)N1C[C@@H](C(=O)NC[C@H]2CN(CC#N)CCO2)CC1=O 1035392816 WSXGKVPTPQNMCB-STQMWFEESA-N 308.382 -0.416 30 20 DBED C#Cc1cncc(C(=O)NC[C@@H]2CN(CCCO)CCO2)c1 1035506091 QQQYSGDHSQQOME-OAHLLOKOSA-N 303.362 -0.124 30 20 DBED C#CCCN1CCO[C@H](CNC(=O)c2cc(C(N)=O)ccn2)C1 1035632111 YLWNTXCVIIXFEK-CYBMUJFWSA-N 316.361 -0.366 30 20 DBED C#CCCN1CC2(CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)CC2)C1 1035793460 WSPRYSRWDKQACL-UONOGXRCSA-N 319.405 -0.033 30 20 DBED C=CCCC(=O)N1CC[C@](O)(CNC(=O)[C@@H](C)CC(N)=O)C1 1040476478 MAPOWJPQSCAGFY-NHYWBVRUSA-N 311.382 -0.456 30 20 DBED CC(C)C#CC(=O)N1CC[C@](O)(CNC(=O)Cc2ncc[nH]2)C1 1040694575 MJUPOGAXMQDCRM-INIZCTEOSA-N 318.377 -0.309 30 20 DBED Cc1c[nH]nc1C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1O 1041004894 SZYGKWBJIPAADN-GHMZBOCLSA-N 313.321 -0.641 30 20 DBED CCNC(=O)CCC(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1042013826 NAJXGMSPFYCCNM-UHFFFAOYSA-N 321.377 -0.994 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(O)(CNC(=O)[C@@H](C)COC)C1 1042022975 IBCANQFZWWCOBD-FZMZJTMJSA-N 314.382 -0.715 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)c2c(C)ncn2C)C1 1042052448 JXLNCXMZXDSNFC-UHFFFAOYSA-N 322.365 -0.766 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)CCc2ncc[nH]2)C1 1042823755 PGIXDJMDFPZTMD-UHFFFAOYSA-N 318.377 -0.165 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC(O)(CNC(=O)c3ncc[nH]3)C2)c1 1042930924 CVRRGTDAZURPAR-UHFFFAOYSA-N 314.305 -0.774 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)[C@H](C(C)C)N(C)C)C1 1042937779 LDNGHRUAWBZYOF-HNNXBMFYSA-N 323.437 -0.079 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)C#CC(C)(C)C)C1 1042966169 PVGOJENCAKHKMD-UHFFFAOYSA-N 308.378 -0.072 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2cc(C)no2)C1 1043035885 GAWAHSNHYIDMEI-NSHDSACASA-N 321.333 -0.676 30 20 DBED C[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2)C[C@H]1Nc1ccc(C#N)nn1 1043099441 RYJUYPAJPHEAMT-YUSALJHKSA-N 314.349 -0.114 30 20 DBED C=C(C)CCC(=O)N1CC(O)(CNC(=O)[C@H]2CCCC(=O)N2)C1 1043515423 RVEHNIAPDGYKPI-GFCCVEGCSA-N 323.393 -0.299 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)[C@H]2CCC2(F)F)C1 1043591680 NXDQCFXSZNHRAS-DTWKUNHWSA-N 301.293 -0.119 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CO[C@H](C)C2)C1 1043624216 KCLVSRHSPPQZDK-OLZOCXBDSA-N 308.378 -0.096 30 20 DBED N#Cc1cncc(N2C[C@H](O)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)n1 1043880093 KCPGDGGFTHFRMF-OLZOCXBDSA-N 323.316 -0.472 30 20 DBED C=C(C)C(C)(C)C(=O)NCC1(O)CN(C(=O)Cn2cncn2)C1 1044404189 AHUYKUYQFMAYLB-UHFFFAOYSA-N 321.381 -0.430 30 20 DBED C=C(C)C(C)(C)C(=O)NCC1(O)CN(C(=O)CNC(C)=O)C1 1044409658 JKENUAVFSGOYDM-UHFFFAOYSA-N 311.382 -0.586 30 20 DBED N#Cc1cnccc1N1C[C@H](O)[C@H](NC(=O)[C@@]23COC[C@@H]2C3)C1 1044696486 CVFVTNMECUJXHO-LMWOUKEDSA-N 314.345 -0.345 30 20 DBED C=C(C)C[C@H](C)C(=O)NCC1(O)CN(C(=O)[C@@H]2CCNC2=O)C1 1045063544 BKZPFEBUOFCUSW-NWDGAFQWSA-N 323.393 -0.586 30 20 DBED C[C@H](C(=O)N1CCN([C@H]2CCN(CC#N)C2)CC1)n1cncn1 1046022311 PAKYITAWAPGIJG-KGLIPLIRSA-N 317.397 -0.419 30 20 DBED CN(C(=O)C#CC1CC1)[C@H]1CN(C(=O)c2ncc[nH]2)C[C@@H]1O 1048820986 BHUOTVPYQAIQNA-RYUDHWBXSA-N 302.334 -0.533 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CN(C)C2CCC2)C1 1049003567 LVNNEKVZCVBHAO-UBHSHLNASA-N 322.409 -0.340 30 20 DBED C=CCN1C[C@H]2CN(C(=O)[C@H]3CCN(C)S3(=O)=O)C[C@H]2C1 1049109991 ZNOXACMOTIXTRQ-FRRDWIJNSA-N 313.423 -0.404 30 20 DBED Cc1nc[nH]c1CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)C#N)C1 1049395762 YCYHEAVTGKHSJG-ICCXJUOJSA-N 319.365 -0.550 30 20 DBED C[C@@H]1[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)CCN1c1cnc(C#N)cn1 1051011876 YBPWWUMDTJMHBB-YJQGPUDQSA-N 314.349 -0.447 30 20 DBED C#CCCN1CCOC[C@@H]1CNC(=O)[C@H]1COCCN1C(C)=O 1051249655 HBCJGDYWPZUJKQ-LSDHHAIUSA-N 323.393 -0.926 30 20 DBED C#CCCN1CCOC[C@H]1CNC(=O)[C@H]1CCCS1(=O)=O 1051254933 OQRFDXJBCNVQHQ-CHWSQXEVSA-N 314.407 -0.596 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@H](CNCc2nc(N(C)C)no2)C1 1051494326 HRMQJONPSWTXMC-WDEREUQCSA-N 322.369 -0.388 30 20 DBED C=CCCOCC(=O)N1C[C@H](CNC(=O)CC(N)=O)[C@@H](C)C1 1052833832 LVGIGXSRKOJREZ-RYUDHWBXSA-N 311.382 -0.335 30 20 DBED C=CCN1CC2(C1)CN(C(=O)C[C@@H]1CCN(C)C1=O)CCO2 1053297971 DWTZXHYBZMAISZ-ZDUSSCGKSA-N 307.394 -0.046 30 20 DBED C#CCN1CC2(C1)CN(C(=O)[C@H](OC)[C@@H]1CCOC1)CCO2 1053358363 PDBNPDTWSNAUDO-ZIAGYGMSSA-N 308.378 -0.416 30 20 DBED Cc1c(C(=O)NC[C@H]2CCC3(CN(CC#N)C3)O2)nnn1C 1053586523 TUTGCJVRAOJODR-LLVKDONJSA-N 304.354 -0.390 30 20 DBED CN1CCOC[C@@H]1C(=O)NC[C@H]1CCC2(CN(CC#N)C2)O1 1053591681 AULFDPPOFQUVPF-CHWSQXEVSA-N 308.382 -0.810 30 20 DBED COc1cc(C(=O)NC[C@H]2CCC3(CN(CC#N)C3)O2)nn1C 1053626034 LOGOSFNGEXSEEZ-LLVKDONJSA-N 319.365 -0.085 30 20 DBED C=CCN1CC2(C[C@H](NC(=O)[C@@H]3COCCN3C(C)=O)CO2)C1 1054013198 QDWLBSRHKZYMQM-KBPBESRZSA-N 323.393 -0.621 30 20 DBED C[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1NCc1nc(O)n[nH]1 1054568988 FPWBXVPBCYJKSS-GZMMTYOYSA-N 315.337 -0.040 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CN(C(=O)[C@H](C)NC(N)=O)C[C@H]2C1 1055302342 GFQLOSAKIUKUPP-XWLWVQCSSA-N 307.354 -0.880 30 20 DBED C=C[C@@](C)(CC)C(=O)NCCN1CCC(NC(=O)C(N)=O)CC1 1055636571 VZFLXTFJAMRSRO-INIZCTEOSA-N 324.425 -0.229 30 20 DBED C#CCCCCC(=O)N1CCC[C@@](CO)(NC(=O)CC(N)=O)C1 1055846041 OEXKIZDPRCKHBZ-MRXNPFEDSA-N 323.393 -0.475 30 20 DBED N#Cc1nccnc1N1C[C@H]2[C@H](NC(=O)[C@H]3COCCO3)[C@H]2C1 1056134728 KMDJZQGZGYHIMD-DNIRFERGSA-N 315.333 -0.686 30 20 DBED N#Cc1ccc(N2C[C@H]3C(NC(=O)[C@H]4CNC(=O)N4)[C@@H]3C2)cn1 1056391779 GVSBNAJCKXYXAH-IJLUTSLNSA-N 312.333 -0.815 30 20 DBED C=CCO[C@H](C)C(=O)NCCN(CCO)C(=O)Cc1cc[nH]n1 1057258507 GTGRLXLBSQVXKZ-GFCCVEGCSA-N 324.381 -0.520 30 20 DBED CCn1ncc(C(=O)NCCN(CCO)C(=O)C#CC2CC2)n1 1057531019 CFRURTXCTAFDNI-UHFFFAOYSA-N 319.365 -0.738 30 20 DBED C[C@@H](C(=O)N[C@@H]1CCN(c2cnc(C#N)cn2)C1)n1cncn1 1058324767 SRVJLTNLKXGMDR-WDEREUQCSA-N 312.337 -0.104 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)[C@@]1(F)CCOC1 1058493077 LVVCBHZAVPJVCG-ZWNOBZJWSA-N 301.318 -0.788 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)[C@H]1CCCCN1C 1058663005 FDKVRAYFBZDEJV-QWHCGFSZSA-N 310.398 -0.433 30 20 DBED CC(=O)N1CC(C(=O)N2CC[C@H](CCNC(=O)[C@H](C)C#N)C2)C1 1059543736 UMXVYCDCSQERBS-YPMHNXCESA-N 320.393 -0.021 30 20 DBED Cn1oc(C(=O)N[C@H]2C[C@@H](N=c3cc[nH]c(C#N)n3)C2)cc1=O 1059614999 CVICUVRYDCNHNR-DTORHVGOSA-N 314.305 -0.565 30 20 DBED C=CCCC(=O)NC[C@@H]1COCCN1C(=O)c1cnn(C)c1N 1061405743 FEZYBUFHUSSAIH-LLVKDONJSA-N 321.381 -0.074 30 20 DBED N#Cc1ccc(N2CC[C@@H](CNC(=O)[C@@H]3CNC(=O)N3)C2)nc1 1061718200 SHSMSVDQGVMPAJ-RYUDHWBXSA-N 314.349 -0.423 30 20 DBED CN(C(=O)Cc1nc[nH]n1)[C@@H]1CCN(c2ccnc(C#N)n2)C1 1062976716 SDDDXLVXBAOCAY-SNVBAGLBSA-N 312.337 -0.254 30 20 DBED C#CCO[C@@H](C)C(=O)NC1(CNC(=O)CNC(=O)NC)CCC1 1063334200 XYAJUFSVXPFGPR-NSHDSACASA-N 324.381 -0.891 30 20 DBED C=CCOCC(=O)N1CCO[C@H](CNC(=O)c2cncn2C)C1 1064972013 NLMUHMRYRUBYDP-GFCCVEGCSA-N 322.365 -0.420 30 20 DBED C=CCCCC(=O)NC[C@H]1CN(C(=O)[C@H]2CCC(=O)N2)CCO1 1064973929 IFLUIZIMBKJSEK-QWHCGFSZSA-N 323.393 -0.035 30 20 DBED C[C@]1(NC(=O)[C@H]2CCNC2=O)CCN(c2nccnc2C#N)C1 1065312118 FGVPMWCWYYMPEB-BONVTDFDSA-N 314.349 -0.431 30 20 DBED C[C@H](CC(N)=O)C(=O)N1CCO[C@H](CNC(=O)C#CC2CC2)C1 1065420486 LKLFXJMSXVXJHJ-DGCLKSJQSA-N 321.377 -0.745 30 20 DBED N#Cc1nccnc1N1CCOC[C@@H]1CNC(=O)[C@@H]1CCOC1 1066469885 IETYVFMRMFNAAA-NEPJUHHUSA-N 317.349 -0.294 30 20 DBED N#Cc1ccc(N2CCOC[C@@H]2CNC(=O)c2cnon2)nn1 1066497738 UNBFCPMXOHAAPI-JTQLQIEISA-N 315.293 -0.634 30 20 DBED C=CCOCC(=O)N1CCOC2(C1)CN(C(=O)[C@@H](C)C#N)C2 1068355185 JFIAAJKINNSIFK-LBPRGKRZSA-N 307.350 -0.212 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCOC2(CN(C(=O)COC)C2)C1 1068406759 CIXDLFLQAKSVTJ-LBPRGKRZSA-N 312.366 -0.336 30 20 DBED C=CCCC(=O)N[C@@H]1COC2(C1)CN(C(=O)CC(=O)NC)C2 1068752927 JHZVRIZKLCPYLM-NSHDSACASA-N 309.366 -0.425 30 20 DBED C=CCCC(=O)N[C@H]1COC2(C1)CN(C(=O)[C@@H](C)CC(N)=O)C2 1068756581 DWVYXVIQEBBQDH-NWDGAFQWSA-N 323.393 -0.050 30 20 DBED CCC1(NC(=O)[C@@H](C)C#N)CCN(C(=O)Cn2ncnn2)CC1 1069390265 KGXSUQHTGBGJIL-NSHDSACASA-N 319.369 -0.280 30 20 DBED Cn1cc(C(=O)N[C@@H]2CN(CC#N)C[C@@H]2n2ccnn2)cn1 1069894310 OGMYZTNJMIKDCD-NEPJUHHUSA-N 300.326 -0.810 30 20 DBED N#CCN[C@@H]1CN(C(=O)c2ccc(F)cn2)C[C@@H]1n1ccnn1 1070180880 KMXCQUUJCRPCAT-OLZOCXBDSA-N 315.312 -0.009 30 20 DBED C=CCCC(=O)N1CCC[C@@H](NC(=O)Cn2c(O)nnc2O)C1 1070534487 WVDCBXYFDZPQNM-SNVBAGLBSA-N 323.353 -0.237 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)c4cnnc(O)c4)C[C@@]3(C1)O2 1070813082 HUXZKGMOCNZPEW-XJKCOSOUSA-N 314.345 -0.269 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)c2cnn(C)c2)CC1 1070938291 MUHNUNZKSABLFQ-UHFFFAOYSA-N 305.382 -0.130 30 20 DBED C[C@@H]1CN(C(=O)CCc2cnn[nH]2)C[C@]2(CCN(CC#N)C2)O1 1071211584 KIHZVMNBHCQVFV-IUODEOHRSA-N 318.381 -0.047 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H](NC(=O)CCn2cncn2)C1 1071226818 OMQYKMOALKAHOL-NWDGAFQWSA-N 304.354 -0.065 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(C(=O)C2=COCCO2)C[C@@H]1C 1071523665 BOPLIPUODPUXAO-QWHCGFSZSA-N 322.361 -0.122 30 20 DBED C#CCOCCC(=O)N[C@H]1CN(C(=O)Cn2cccn2)C[C@@H]1C 1071598967 GPSXRAFAKKCNAE-KBPBESRZSA-N 318.377 -0.114 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(C(=O)COC(C)C)C[C@@H]1C 1071750097 OSSZDTAHSAMMFT-QWHCGFSZSA-N 323.393 -0.486 30 20 DBED C=CCOCC(=O)N1C[C@@H](NC(=O)c2cc(=O)n(C)o2)[C@H](C)C1 1071809795 YUARWZFEBAQUSO-GHMZBOCLSA-N 323.349 -0.242 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(C(=O)COCC=C)C[C@H]1C 1071809863 ZTKLURBJVIOWIE-CHWSQXEVSA-N 321.377 -0.708 30 20 DBED C#CCC1(C(=O)N2C[C@@H](C)[C@@H](NC(=O)C(N)=O)C2)CCOCC1 1072238623 YOHCUQRNNAVMGB-NEPJUHHUSA-N 321.377 -0.745 30 20 DBED C#CCCN1CCO[C@@H]2CCN(C(=O)CN3CCCC3=O)C[C@@H]21 1074161097 ZDLQWZIBRKXQFP-LSDHHAIUSA-N 319.405 -0.066 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)Cc3cncn3C)C[C@H]21 1074385165 RGLCYTOVABQTBU-CABCVRRESA-N 302.378 -0.103 30 20 DBED Cc1nc[nH]c1C(=O)NCC1(O)CCN(C(=O)[C@H](C)C#N)CC1 1074706243 IPVDUXDWHAOZGY-SNVBAGLBSA-N 319.365 -0.039 30 20 DBED C=CCOCC(=O)N[C@@H](C)CCNC(=O)c1nnn(C)c1C 1076018652 BQTNYJJRALYVNP-JTQLQIEISA-N 309.370 -0.049 30 20 DBED C#CCOCCC(=O)N[C@@H](C)CCNC(=O)CC(=O)NCC 1076222491 IOTGCCYPQFBJAC-LBPRGKRZSA-N 311.382 -0.437 30 20 DBED C=CCn1cccc1C(=O)N[C@@H]1CN([C@H]2CCNC2=O)C[C@H]1O 1077138962 RJZJIWWUBYMTIM-KWCYVHTRSA-N 318.377 -0.663 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2ncoc2-c2ccon2)C1 1078015581 CJGXDMSVBHRKHZ-GHMZBOCLSA-N 302.290 -0.262 30 20 DBED CCS(=O)(=O)NCC(=O)N[C@@H](C)CCNC(=O)[C@H](C)C#N 1078135203 SYKFPJPTINFGGC-ZJUUUORDSA-N 318.399 -0.904 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)C2CCN(C(N)=O)CC2)C1 1078154252 RBVNNKVEGJHMHP-CHWSQXEVSA-N 310.398 -0.486 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@H](CNC(=O)Cc2ccon2)C1 1081365050 KGXHPQCNJDJKIM-YPMHNXCESA-N 323.349 -0.645 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(C(=O)C2=CCOCC2)C[C@H]1O 1081471550 PDEHUCIODTYQCS-LSDHHAIUSA-N 318.373 -0.318 30 20 DBED C=CCCOCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C#CC2CC2)C1 1081474133 NTSQSBAWUIEIKZ-LSDHHAIUSA-N 320.389 -0.072 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(C(=O)C(C)(C)F)C[C@@H]1O 1081486747 WMTTYCNRWNNBTQ-NEPJUHHUSA-N 314.357 -0.290 30 20 DBED C#CCN1C[C@@H](NC(=O)c2cnc3[nH]nnc3c2)[C@H](OC)C1 1081803131 VEXYAERYKVOQLU-VXGBXAGGSA-N 300.322 -0.585 30 20 DBED C#CCN1C[C@@H](NC(=O)C[C@H]2CCS(=O)(=O)C2)[C@H](OC)C1 1081913345 VMXMNHKXOGSCIM-JHJVBQTASA-N 314.407 -0.740 30 20 DBED Cc1nnc(CN2C[C@H]3[C@@H](C2)OCCN3C(=O)[C@@H](C)C#N)o1 1083026191 QZTVIANPCZXGKF-ZMLRMANQSA-N 305.338 -0.051 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)C[C@H]1CCC(=O)N1 1083221960 AGAXNFNTCRGCJS-HZSPNIEDSA-N 305.378 -0.410 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)C[C@H]2COC(=O)C2)C1 1083406653 QNRLLNSIEDASFU-MXWKQRLJSA-N 302.758 -0.147 30 20 DBED C[C@H](C(=O)N[C@@H]1CN(CC#N)C[C@@H]1O)n1nnnc1C(C)(C)C 1083513732 WOICXFIBCRWTIV-MXWKQRLJSA-N 321.385 -0.784 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)c2ccc3nnnn3c2)C1 1083639560 VYOPDRZMENMNDN-NEPJUHHUSA-N 302.338 -0.525 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)c1ncn(C)n1)N=c1cc[nH]c(C#N)n1 1089290888 KGMBQBKUFDILDQ-VHSXEESVSA-N 314.353 -0.092 30 20 DBED C[C@H](C[C@@H](C)NC(=O)CCNC(N)=O)N=c1cc[nH]c(C#N)n1 1089317843 ANXIRBWIWAAUTL-NXEZZACHSA-N 319.369 -0.476 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2cc(CN(C)C)on2)[C@H](O)C1 1090383014 WCQUWIPCMCGADF-DZGCQCFKSA-N 320.393 -0.076 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cc3n(n2)CCCO3)[C@@H](O)C1 1090425773 SXKQLSGWXBUGMM-AAEUAGOBSA-N 304.350 -0.536 30 20 DBED CNC(=O)CC(=O)NC[C@H]1C[C@@H](N=c2cc[nH]c(C#N)n2)C1 1091340321 NARSVGBEKMUXNQ-AOOOYVTPSA-N 302.338 -0.787 30 20 DBED C#CCN1C[C@@H]2CN(C(=O)c3cnc(O)n(C)c3=O)C[C@]2(C)C1 1091905929 VWXTYTSKYLRRKP-BZNIZROVSA-N 316.361 -0.487 30 20 DBED CCCC(=O)NCC(=O)N1CCN(c2ccnc(C#N)n2)CC1 1093142622 VBAHETSPVXCPTD-UHFFFAOYSA-N 316.365 -0.087 30 20 DBED Cc1cc(C#N)nc(NCCNC(=O)CCc2nc[nH]n2)n1 1093566321 KQKHPSJEPFUELN-UHFFFAOYSA-N 300.326 -0.064 30 20 DBED Cc1cc(=NCCNC(=O)[C@@H]2CCN(C)C2=O)c(C#N)c[nH]1 1094047577 SZUSSXFXKRFGRW-LBPRGKRZSA-N 301.350 -0.310 30 20 DBED CN1C[C@H](C(=O)NCCCN=c2cc[nH]c(C#N)n2)CCC1=O 1094460596 POOLNHGLUQAUAO-LLVKDONJSA-N 316.365 -0.443 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)Cc3ccn(C)n3)CC2=O)C1 1094737624 WRRWUQNGSKGXHN-CYBMUJFWSA-N 317.393 -0.450 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)[C@@H]3CCC(=O)N3C)CC2=O)C1 1094771594 LBOCLXQFSPTZJK-AAEUAGOBSA-N 320.393 -0.806 30 20 DBED C[C@@H](CC(N)=O)C(=O)NC1CCN(c2nccnc2C#N)CC1 1095438127 AKQTVQGUFBEDJT-JTQLQIEISA-N 316.365 -0.055 30 20 DBED CC(=O)N[C@H](C)C(=O)N[C@@H]1CCN(c2ccc(C#N)nn2)C1 1096317731 YPKVLIOXPWOFCG-BXKDBHETSA-N 302.338 -0.432 30 20 DBED COC(=O)NCC(=O)N[C@@H]1CCN(c2cncc(C#N)n2)C1 1096319584 UHGAWBFBGMTAHE-SECBINFHSA-N 304.310 -0.601 30 20 DBED C[C@H](C(=O)N[C@H]1CCN(c2ccc(C#N)nn2)C1)S(C)(=O)=O 1096502931 XWGHBRZUALRFSI-KOLCDFICSA-N 323.378 -0.524 30 20 DBED Cc1cc(C#N)nc(N[C@@H](CNC(=O)CNC(N)=O)C2CC2)n1 1096566512 XDKMSCNXSOBZKZ-NSHDSACASA-N 317.353 -0.368 30 20 DBED CC(=O)NCC(=O)NC[C@H]1CCCN(c2cnc(C#N)cn2)C1 1097266744 AKCOXIXABZLQFV-GFCCVEGCSA-N 316.365 -0.183 30 20 DBED C=CCN(CCO)C1CCN(C(=O)c2nnc(O)nc2O)CC1 1098419000 VFDHBOYIDOGDTB-UHFFFAOYSA-N 323.353 -0.632 30 20 DBED C#CCN(CCO)C1CCN(C(=O)c2cn(CC)nn2)CC1 1098516439 VPXIAKLEDKWKGP-UHFFFAOYSA-N 305.382 -0.170 30 20 DBED Cc1occc1C(=O)N[C@H]1CCN(CC(=O)NCC#N)C[C@@H]1O 1099644939 LTRMJILKFNSXQU-STQMWFEESA-N 320.349 -0.607 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2ccn(C)c2)[C@@H](O)C1 1099766522 LYCJJCHLNWFSMN-CABCVRRESA-N 305.378 -0.160 30 20 DBED CN1CCO[C@@H](C(=O)NCCN(C)c2cnc(C#N)cn2)C1 1099996286 FHEADAHYPRJURU-GFCCVEGCSA-N 304.354 -0.769 30 20 DBED C=CCNC(=O)[C@@H](C)NC1CC(CNC(=O)c2cnn(C)n2)C1 1100756949 WNWGYBJTCCVLHA-VOMCLLRMSA-N 320.397 -0.396 30 20 DBED C=CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)[C@@H](C)NC(C)=O)C1 1101694536 BVNBSKPOQBODBA-YRGRVCCFSA-N 324.425 -0.503 30 20 DBED C=CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)CC(=O)N(C)C)C1 1102441224 OOWTWUVBAJBHGS-CHWSQXEVSA-N 324.425 -0.549 30 20 DBED CNC(=O)CC(=O)N(C)[C@H]1CCN(c2nc(C)cc(C#N)n2)C1 1102697851 PTPVJBPEJFKCLO-LBPRGKRZSA-N 316.365 -0.170 30 20 DBED CC[C@@H](CNC(=O)CNC(=O)NC)N=c1cc[nH]c(C#N)n1 1103352288 DORFRSLLYRZWQC-VIFPVBQESA-N 305.342 -0.994 30 20 DBED C=CCN1C[C@@H](C)[C@H](CCNC(=O)CN2C(=O)CNC2=O)C1 1103703818 GCYVVZUPBCAWKI-VXGBXAGGSA-N 308.382 -0.202 30 20 DBED C[C@@H]1CN(C(=O)c2cn[nH]c2)C[C@H]1CCNCC(=O)NCC#N 1103923695 JYUZDNYAFVCHIA-VXGBXAGGSA-N 318.381 -0.263 30 20 DBED CNC(=O)NCCC(=O)N1CCC(OC2CN(CC#N)C2)CC1 1105705315 GUFLJKHOSWYPRV-UHFFFAOYSA-N 323.397 -0.479 30 20 DBED Cc1[nH]nc(C(=O)NC[C@H](O)CNc2ccc(C#N)nn2)c1C 1105762817 VSWGKCMBGHDJOT-LLVKDONJSA-N 315.337 -0.109 30 20 DBED CCn1ccnc1C(=O)NC[C@H](O)CNc1ccc(C#N)nn1 1105802160 HIPWFDGDEFWHGM-LLVKDONJSA-N 315.337 -0.233 30 20 DBED CCN(CC)CC(=O)NC[C@@H](O)CN=c1cc(C)[nH]cc1C#N 1105869382 RFFRYASZVXCWJX-AWEZNQCLSA-N 319.409 -0.086 30 20 DBED C=C(C)CCC(=O)NC[C@H](O)CNc1nccn2nnnc12 1105986915 SWAINWMQOHYHLZ-JTQLQIEISA-N 305.342 -0.235 30 20 DBED CC(C)(C(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1)C(F)F 1106096853 RKTNBKAQSGQDBZ-MRVPVSSYSA-N 313.308 -0.050 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)CCNc1cnc(C#N)cn1 1106284533 BDCVXGQFYGBZRR-LLVKDONJSA-N 314.349 -0.206 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)CCN=c1cc[nH]c(C#N)n1 1106285199 MTRXBMXRGFHLMO-LLVKDONJSA-N 314.349 -0.784 30 20 DBED CCN(CCNc1ccc(C#N)nn1)C(=O)CN1CCOCC1 1106723616 UBOJUFDDUHQQJR-UHFFFAOYSA-N 318.381 -0.059 30 20 DBED CCOCCCC(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1 1108513395 JGWFZQNLOBXQMD-GFCCVEGCSA-N 308.382 -0.272 30 20 DBED Cc1cc(C#N)nc(NC[C@H](C)NC(=O)Cn2ncnn2)n1 1108540282 PQRDCYPCICBDFH-VIFPVBQESA-N 301.314 -0.740 30 20 DBED C#CCCN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1ncn(C)c1=O)C2 1108714110 GVQQEYOGHBNIHC-IHRRRGAJSA-N 317.393 -0.426 30 20 DBED C[C@@H](CN=c1cc[nH]cc1C#N)NC(=O)CN1CCOCC1=O 1108753468 CTEMQXBVZUAHAA-NSHDSACASA-N 317.349 -0.849 30 20 DBED C[C@@H](CNc1cnc(C#N)cn1)NC(=O)[C@@H]1CCC(=O)NC1 1108776851 QALSPFUQTRBSBM-VHSXEESVSA-N 302.338 -0.209 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)N1CCC1 1109266274 SCISMWULFCTUTI-KBXIAJHMSA-N 319.405 -0.022 30 20 DBED Cc1cc(C#N)nc(NC[C@H](NC(=O)CC(N)=O)C2CC2)n1 1109800015 ORJSFFKGGBUIMK-NSHDSACASA-N 302.338 -0.161 30 20 DBED CC(=O)NCC(=O)NC1(C)CCN(c2cncc(C#N)n2)CC1 1110567987 LAAFLROGLOVMPY-UHFFFAOYSA-N 316.365 -0.041 30 20 DBED COCC(=O)N(C)[C@H]1CN(c2ncc(C#N)cc2F)C[C@@H]1O 1111168601 BIURJJVNLONJTP-RYUDHWBXSA-N 308.313 -0.253 30 20 DBED CC1(C)CN(c2ccnc(C#N)n2)CC[C@@H]1NC(=O)CC(N)=O 1112371145 GCQRGIODRRFWSJ-JTQLQIEISA-N 316.365 -0.055 30 20 DBED CCOCC(=O)NC[C@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1112691239 DHJBURSMASUTDN-JQWIXIFHSA-N 305.338 -0.702 30 20 DBED CO[C@@H]1CCC[C@H]1C(=O)N1CCN(CC(=O)NCC#N)CC1 1113040451 MXECWLUPVJEDQH-CHWSQXEVSA-N 308.382 -0.415 30 20 DBED C[C@@H](CNC(=O)Cn1nccn1)N(C)c1ccc(C#N)nn1 1113737337 RRPWMTCTTKMQEV-JTQLQIEISA-N 300.326 -0.419 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)c3ccc(C)n3C)[C@@H]2C1 1113854511 IZUKOCPPMBCQPY-CHWSQXEVSA-N 314.389 -0.257 30 20 DBED C[C@H](CNC(=O)[C@@H]1CNC(=O)N1)N(C)c1ncc(C#N)cc1F 1113869428 MTKDDKZJQJACID-KCJUWKMLSA-N 320.328 -0.285 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)c3ccon3)[C@H]2C1 1113950939 QISMBXHXXGULID-MEWQQHAOSA-N 302.334 -0.528 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)C[C@@H]3CCCCO3)[C@H]2C1 1114117461 PNIVOFYZKNBXMF-SZOQZIPDSA-N 319.405 -0.259 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)Cc3nc[nH]n3)[C@H]2C1 1115098163 AVUAASVKVRFIOX-PUHVVEEASA-N 318.381 -0.916 30 20 DBED C=CCCOCCNC(=O)C(=O)NC[C@@H]1COC(C)(C)O1 1117465173 OPHVBWPMLDGWJJ-LLVKDONJSA-N 300.355 -0.037 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](CO)Nc1cncc(C(=O)N(C)C)n1 1121214380 ZTUUHPIQSFXSEB-NXEZZACHSA-N 320.353 -0.773 30 20 DBED O=C(C#CC1CC1)NC[C@@H](CO)N=c1ccc2ncc[nH]c-2n1 1121438883 APDXUOFJLAABNO-LBPRGKRZSA-N 311.345 -0.299 30 20 DBED Cc1ccc(C(=O)NC[C@@H](CO)Nc2cnc(C#N)cn2)nn1 1121446730 PEIBZXGCIFHPTD-NSHDSACASA-N 313.321 -0.351 30 20 DBED CN(C)[C@H](C(=O)NC[C@@H](CO)Nc1ccc(C#N)nn1)C1CC1 1122152618 IIRFQSWVVSIRPU-JSGCOSHPSA-N 318.381 -0.423 30 20 DBED CN(C)[C@H](C(=O)NC[C@@H](CO)Nc1cnc(C#N)cn1)C1CC1 1122154531 YZWIPIBZUXOXJB-JSGCOSHPSA-N 318.381 -0.423 30 20 DBED Cc1cncn1CC(=O)NC[C@@H](CO)N=c1cc[nH]cc1C#N 1122241157 ZUIMCEVTMMWCIV-ZDUSSCGKSA-N 314.349 -0.531 30 20 DBED N#Cc1nc(=N[C@H](CO)CNC(=O)c2cc(F)c[nH]2)cc[nH]1 1122267570 VKRRZTXLYPBJKC-VIFPVBQESA-N 304.285 -0.560 30 20 DBED CNC(=O)NCC(=O)N1C[C@H](Nc2nccnc2C#N)C[C@H]1C 1123319678 NJMXALYBVYAIKB-NXEZZACHSA-N 317.353 -0.321 30 20 DBED CN(C[C@@H](O)CNc1nccnc1C#N)C(=O)[C@@H]1CCOC1 1124140941 OOSWOZBPXAAHFN-MNOVXSKESA-N 305.338 -0.384 30 20 DBED C[C@H](NC(N)=O)C(=O)N(C)C[C@H](O)CNc1ccc(C#N)nc1 1124262301 LTPJLEDHSRUXRL-JOYOIKCWSA-N 320.353 -0.759 30 20 DBED C=C[C@@](C)(O)CC(=O)N(C)C[C@H](O)CN=c1cc[nH]c(C#N)n1 1124266650 KDLYEBYNTRQJGF-IAQYHMDHSA-N 319.365 -0.672 30 20 DBED C=CCCO[C@H](C)C(=O)NCCN[C@@H](C)C(=O)NC(=O)NC 1124493975 CWFARWREYVXJIT-WDEREUQCSA-N 314.386 -0.483 30 20 DBED C=C(C)CNCc1nnc2n1CC[C@H](NC(=O)C(N)=O)CC2 1128032299 CYCDDOILDICWIN-SNVBAGLBSA-N 306.370 -0.750 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1ccn(CC(C)C)n1 1128450915 SDBUAHFLHPVJTG-ZDUSSCGKSA-N 319.409 -0.004 30 20 DBED C#CCN1CCn2ncc(CNC(=O)CCc3cnn[nH]3)c2C1 1128504479 SJRWNUZSOAEWPZ-UHFFFAOYSA-N 313.365 -0.301 30 20 DBED C=CCCC(=O)N[C@@H]1CN([C@@H](CC)C(N)=O)C[C@@H]1n1ccnn1 1128821731 ZFMMZHUKWZNTOQ-AGIUHOORSA-N 320.397 -0.150 30 20 DBED COC(=O)NCC(=O)N1CCC([C@@H]2OCC[C@H]2NCC#N)CC1 1131437078 KMITZKHBDIDIMG-OCCSQVGLSA-N 324.381 -0.148 30 20 DBED C[C@H]1CC[C@H](NC(=O)CCc2nnc(O)nc2O)CN1CC#N 1132149195 HAUFKKAKTPCSMJ-UWVGGRQHSA-N 320.353 -0.292 30 20 DBED C=CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)COCCOC 1133926829 NKRGVEWXXYEQDC-STQMWFEESA-N 315.414 -0.176 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)C[C@H](C)NCc1nonc1C 1134130696 LJKGDMZEDTZVMU-QWRGUYRKSA-N 321.381 -0.110 30 20 DBED C#CCOCCC(=O)N[C@@H](C)C[C@H](C)NCC(=O)NC(N)=O 1134352373 QCSZCZUHLMDJHA-QWRGUYRKSA-N 312.370 -0.906 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)C[C@H](C)n1ccnc1 1134517901 WFTGYHGLGDGRMC-QWHCGFSZSA-N 305.382 -0.322 30 20 DBED COCC#CCNCCNC(=O)c1cn2nc(C)cc2[nH]c1=O 1135305116 JPVILQHTTPEHHA-UHFFFAOYSA-N 317.349 -0.700 30 20 DBED Cc1c[nH]c(C(=O)N[C@H](C)C[C@@H](C)NCC(=O)NCC#N)n1 1135655832 RXKSHLPCIFVTSR-NXEZZACHSA-N 306.370 -0.156 30 20 DBED C#CCCN[C@H](C)C[C@H](C)NC(=O)CS(=O)(=O)N(C)C 1136063350 PBKGEZZJZCFWRV-NEPJUHHUSA-N 303.428 -0.226 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC2(CCN(Cc3cnnn3C)C2)C1 1147530047 DUGALXAFRCMPAI-ZDUSSCGKSA-N 317.393 -0.112 30 20 DBED C#CCOCCC(=O)NCCCNC[C@@H](O)COCCOC 1157846198 OIKGIBUHBGDIRP-CQSZACIVSA-N 316.398 -0.854 30 20 DBED CC(C)[C@@H]1OCC[C@H]1C(=O)NCCCNCC(=O)NCC#N 1159605890 BLDAEARGGWXEJV-OCCSQVGLSA-N 310.398 -0.217 30 20 DBED C=CCNC(=O)CNCCCNC(=O)c1cc2n(n1)CCO2 1160034895 IPONALZBVIDCAM-UHFFFAOYSA-N 307.354 -0.713 30 20 DBED C=CCCn1cc(C(=O)NCCC2(CNCC(N)=O)CC2)nn1 1167428329 IZZFQUBGKJDCJI-UHFFFAOYSA-N 320.397 -0.171 30 20 DBED CNC(=O)c1ccc(C(=O)NCCCNCC#CCOC)cn1 1171444756 XTIIRHYIPGITCR-UHFFFAOYSA-N 318.377 -0.200 30 20 DBED C=CCNC(=O)CNCCCNC(=O)CCCC(=O)NCC 1171460083 ZRGOCBNBEUTDEF-UHFFFAOYSA-N 312.414 -0.309 30 20 DBED C#CCNC(=O)CNCCCC[C@@H](C)NC(=O)CC(=O)N(C)C 1175595974 ARLMJAWIHHKCBL-CYBMUJFWSA-N 324.425 -0.521 30 20 DBED C#CCNCCCC[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(C)=O 1175719163 GACVUECTRUCNMS-JSGCOSHPSA-N 324.425 -0.346 30 20 DBED C[C@H](C#N)C(=O)NCCCCCCN[C@H](C)C(=O)NC(N)=O 1178058479 FWLGKDNWWVERAV-GHMZBOCLSA-N 311.386 -0.004 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)Cn2cccn2)[C@H]1C 1178113396 CSZPEKMRHCGISW-RDBSUJKOSA-N 317.393 -0.400 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2OCC[C@H]2CC)C1 1183390124 HVKGIMLUBDSCJK-NFAWXSAZSA-N 307.394 -0.259 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)CCc2cnn[nH]2)C1 1185750519 ZJBAZFSTWOIHOL-GFCCVEGCSA-N 306.370 -0.770 30 20 DBED C#CCOCCC(=O)N1CC[C@H]2CN(Cc3nnn(C)n3)C[C@H]21 1187865772 UMJSVVAPVKMSQQ-QWHCGFSZSA-N 318.381 -0.717 30 20 DBED C=CCOCC(=O)N1CC[C@@H](N(C)C[C@@H](O)Cn2cccn2)C1 1189372348 XFFQUQMTWDAWCS-HUUCEWRRSA-N 322.409 -0.021 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)Cc2cncnc2)C1 1189873863 HANAPPQPHKYMFX-AWEZNQCLSA-N 315.377 -0.699 30 20 DBED CC(C)NC(=O)NCCN1C[C@@H](O)[C@H](NC(=O)[C@H](C)C#N)C1 1191873041 QZSOBRZQNFXEDW-IJLUTSLNSA-N 311.386 -0.985 30 20 DBED C=CCN(CC=C)C(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H](C)C#N)C1 1191882504 SUGPYURRVBZKPZ-MGPQQGTHSA-N 320.393 -0.492 30 20 DBED C=CCn1cc(C(=O)N2CCCN(CCOCCO)CC2)nn1 1197370441 YBOHHVQUYMJREF-UHFFFAOYSA-N 323.397 -0.379 30 20 DBED C[C@@H](C(=O)N1CCCO[C@H](CNCC(=O)NCC#N)C1)C1CC1 1200190002 MMFUIYJRGKTRMP-TZMCWYRMSA-N 322.409 -0.121 30 20 DBED C=C(C)CNC[C@@H]1CN(C(=O)CN2CCNC(=O)C2)CCCO1 1201138045 HJVFHTVJRCIWQZ-CQSZACIVSA-N 324.425 -0.799 30 20 DBED N#CCNC(=O)CN[C@@H]1C[C@@H](NC(=O)c2cnon2)C12CCC2 1203506687 KNOWPMQQTWFXND-GHMZBOCLSA-N 318.337 -0.660 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@@H](NCc2nc(C)no2)C1 1207869761 LFEYITWLQASUAC-GFCCVEGCSA-N 319.365 -0.402 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@]2(F)CCOC2)C1 1209242918 QVHGTSFWVPVVAJ-DOMZBBRYSA-N 313.373 -0.002 30 20 DBED N#CCN[C@H]1CCCN(C(=O)CNC(=O)c2cscn2)C1 1210512164 MMOZARVQRCAIER-JTQLQIEISA-N 307.379 -0.023 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)CCC2CC2)[C@H](OC)C1 1212060150 NOHXHAGPJXGBLE-ZIAGYGMSSA-N 307.394 -0.259 30 20 DBED C#CCN1C[C@@H](NC(=O)COCc2cc(C)no2)[C@H](OC)C1 1212453203 PUYYJWVGCCYKHK-ZIAGYGMSSA-N 307.350 -0.052 30 20 DBED COCC#CCN1C[C@@H](NC(=O)C[C@@H]2CCC(=O)N2)[C@H](OC)C1 1213562007 YWERPBGUNMNZHW-BFHYXJOUSA-N 323.393 -0.880 30 20 DBED CCC(CC)C(=O)NCC(=O)N[C@@H]1CN(CC#N)C[C@H]1OC 1214005013 CYDMNRQKWXEQJW-CHWSQXEVSA-N 310.398 -0.122 30 20 DBED C[C@@H]1CN(C(=O)CNC(=O)c2cscn2)C[C@H]1NCC#N 1216247909 AQTHLRKKSGSOSM-NXEZZACHSA-N 307.379 -0.167 30 20 DBED C=CCOCC(=O)N1CCO[C@@H]2CN(CC(=O)NC3CC3)C[C@@H]21 1217532479 KMLBNLCEZYPVRL-UONOGXRCSA-N 323.393 -0.621 30 20 DBED C#CCNC(=O)CC(=O)N1CCO[C@@H]2CN(CCCC)C[C@@H]21 1217684056 HHWSUZMISKQLSW-UONOGXRCSA-N 307.394 -0.162 30 20 DBED C#CCNC(=O)CC(=O)N1CCO[C@@H]2CN(CC#CC)C[C@@H]21 1217684215 KVBOGBGFNAODEZ-UONOGXRCSA-N 303.362 -0.939 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CNC(=O)C1CCC1 1219051102 YQZCWMQFFQAAGC-UONOGXRCSA-N 305.378 -0.553 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H](CCCC)NC(N)=O 1219068948 RANWZWLWLKDWOA-MELADBBJSA-N 322.409 -0.242 30 20 DBED COc1nccc(CN2C[C@H](O)[C@H](NC(=O)[C@@H](C)C#N)C2)n1 1219379776 YLRSEPWVEDXGEY-WCQGTBRESA-N 305.338 -0.694 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(CC(=O)NCC(C)C)C[C@@H]1O 1219587800 WOCFUUQMXTVUFY-KGLIPLIRSA-N 309.410 -0.421 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2cocc2C)C1 1220158248 OBLXUARQWGDJKV-OLZOCXBDSA-N 307.350 -0.335 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)c2cnn3cc[nH]c23)C1 1220848420 UVXFSJBEOLKANS-OLZOCXBDSA-N 317.349 -0.913 30 20 DBED COCC#CCN1CC[C@@H]2CN(C(=O)c3cncnc3O)[C@@H]2C1 1221637106 QZFRUYAZGQCROS-TZMCWYRMSA-N 316.361 -0.022 30 20 DBED COCC#CCN1CC[C@@H]2CN(C(=O)[C@@H]3CCNC3=O)[C@@H]2C1 1221733056 CXATZRPHPFRRCW-MGPQQGTHSA-N 305.378 -0.695 30 20 DBED C=CCN1CC[C@@H]2CCN(C(=O)CS(=O)(=O)NC)C[C@@H]21 1224162082 GGQPQARJKQCFFC-NEPJUHHUSA-N 301.412 -0.356 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1COC(=O)N1 1225975850 DMZRHQKIAOESQR-IJLUTSLNSA-N 324.381 -0.586 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)C2=CCOCC2)CC1 1226986230 QKYTYLJROPTSQO-UHFFFAOYSA-N 305.378 -0.337 30 20 DBED CNC(=O)NCCC(=O)NC1CCN(CC#CCOC)CC1 1227224998 MFBQOOYWLUBVIA-UHFFFAOYSA-N 310.398 -0.464 30 20 DBED C#CCN1CCS(=O)(=O)[C@H](CCNC(=O)CCN(C)C)C1 1230493935 CZYLPYFEOZZAIJ-CYBMUJFWSA-N 315.439 -0.823 30 20 DBED C=CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)[C@@H]1CN(C)CCO1 1231378206 QOKOWWOMELUTPW-KGLIPLIRSA-N 324.425 -0.848 30 20 DBED C=CCCOCCNC(=O)C(=O)NCC(=O)N1CCCCC1 1258082943 LIQSSLFWMFKBTH-UHFFFAOYSA-N 311.382 -0.176 30 20 DBED C=CCCC[C@H](C)NC(=O)C(=O)NCCNS(C)(=O)=O 1258480767 BBCYVFMLFGSNFN-JTQLQIEISA-N 305.400 -0.487 30 20 DBED COC[C@]1(C)CCN(C(=O)C(=O)N2CCN(CCC#N)CC2)C1 1261873059 KNZRGNIVFDBCOV-MRXNPFEDSA-N 322.409 -0.071 30 20 DBED N#CCNC(=O)CN1CCC[C@@H](NC(=O)Cc2cnoc2)C1 1266236789 NODIYAJRHDJVTM-GFCCVEGCSA-N 305.338 -0.563 30 20 DBED CNC(=O)CCNC(=O)C(=O)Nc1ccc(OCC#N)cc1 1317932758 MQLDEJYEOKHBEE-UHFFFAOYSA-N 304.306 -0.220 30 20 DBED C#CCOCCNC(=O)C(=O)NCC1(C(=O)N(C)C)CCCC1 1324877943 JBCVRINXCXJJLF-UHFFFAOYSA-N 323.393 -0.483 30 20 DBED C[C@@H]1CN(C)C(=O)CN1C(=O)C(=O)N1CCC[C@@](C)(C#N)C1 1325019675 YJHDCDXVNFRJHP-ABAIWWIYSA-N 306.366 -0.172 30 20 DBED CCCN(C(=O)C(=O)N1CCO[C@H](C#N)C1)[C@@H]1CCN(C)C1 1326264516 BXZUBXSALNRGFE-CHWSQXEVSA-N 308.382 -0.320 30 20 DBED N#CC[C@H]1CCCN(C(=O)C(=O)N2CCN3C(=O)NC[C@@H]3C2)C1 1327719347 ACEVVPFILHSWAI-VXGBXAGGSA-N 319.365 -0.625 30 20 DBED COCCn1ccc(NC(=O)C(=O)N2CC[C@](O)(CC#N)C2)n1 1328219529 FUTUQLOHQKPNRB-CQSZACIVSA-N 321.337 -0.655 30 20 DBED C#Cc1ccc(C(=O)NN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C=C[C@H]3O2)cn1 1330282620 RMAOWXULIHVOCK-FDYHWXHSSA-N 309.281 -0.354 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCc2ncccn2)C1=O 1330728707 SEYZDSHHLBUFRA-NSHDSACASA-N 317.349 -0.662 30 20 DBED C=CCn1nnnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1332473930 NUNXETVEYPTLNR-LLVKDONJSA-N 314.415 -0.033 30 20 DBED C[C@]1(C(N)=O)CCN(C(=O)C(=O)N2CCC[C@H](CC#N)C2)C1 1333415289 CHIXSJZXTYLELV-ABAIWWIYSA-N 306.366 -0.137 30 20 DBED C=CCOCCn1nnnc1N1CCC2(CC1)COC(=O)N2 1334238210 NZMDMVSFUQBQRJ-UHFFFAOYSA-N 308.342 -0.046 30 20 DBED C=C(C)Cn1nnnc1N1CCC[C@H](S(=O)(=O)NC)C1 1334454166 NOHKNFDMBZATKC-JTQLQIEISA-N 300.388 -0.233 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N1CCN(CCOCC)CC1 1344812337 CJMTZCQBIYWSGR-UHFFFAOYSA-N 319.405 -0.348 30 20 DBED CCn1cccc(NC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)c1=O 1345809197 FFQIRNBCNLXSSC-HNNXBMFYSA-N 318.333 -0.316 30 20 DBED C[C@]1(CNC(=O)C(=O)Nc2cccc(C#N)n2)CCC(=O)N1 1349139983 XWHVNEIMUPKFHK-CQSZACIVSA-N 301.306 -0.323 30 20 DBED N#C[C@H]1CCCN(C(=O)C(=O)N2CCN([C@@H]3CCOC3)CC2)C1 1353035712 LGZUFOGUDDKRDN-ZIAGYGMSSA-N 320.393 -0.318 30 20 DBED COC(=O)c1cccn(CC(=O)N2CC[C@@](O)(CC#N)C2)c1=O 1363461349 DDZNMWYOGDVGJP-HNNXBMFYSA-N 319.317 -0.488 30 20 DBED Cn1c(=O)[nH]c(N2CC(C(=O)OC(C)(C)C)C2)c(C#N)c1=O 1363747052 HNTDVIKPDDZFCL-UHFFFAOYSA-N 306.322 -0.277 30 20 DBED COC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@H](C)n1cnc(C#N)n1 1364285243 ATHGPFADTDSAHX-WCBMZHEXSA-N 317.309 -0.666 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)NC(C)(C)CNC(N)=O 1364990312 MLSRCFJIWBDWAT-VIFPVBQESA-N 305.404 -0.251 30 20 DBED C[C@H](C#N)C(=O)N1CCC(O)(CNCC(=O)N(C)C2CC2)CC1 1368679717 VCSDWXKTMYRUEY-GFCCVEGCSA-N 322.409 -0.290 30 20 DBED CO[C@@H](C)CC(=O)NCCN1CCN(C(=O)[C@H](C)C#N)CC1 1385548027 LIHOUIWMHZOQHY-OLZOCXBDSA-N 310.398 -0.169 30 20 DBED C[C@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)c1cnc(O)n1C 1386220710 XQVPEQHAGDULFR-MRVPVSSYSA-N 316.321 -0.126 30 20 DBED C[C@@H](C#N)C(=O)NCC1CN(C(=O)[C@@H]2CCCc3nn[nH]c32)C1 1387925570 QNBKBYKZCHXPRL-GXSJLCMTSA-N 316.365 -0.041 30 20 DBED Cc1cc(CCC(=O)NC[C@H](O)CNC(=O)[C@@H](C)C#N)no1 1389128650 OKDMTVWGLADJBD-CABZTGNLSA-N 308.338 -0.331 30 20 DBED CCN(CCNC(=O)[C@H](C)S(C)(=O)=O)C(=O)[C@@H](C)C#N 1398105805 PYQZDMLUTFEPQO-UWVGGRQHSA-N 303.384 -0.456 30 20 DBED C[C@H](C#N)C(=O)N(C)CCNC(=O)c1ccc2nnnn2c1 1408625174 XPDRTTWKJVTLTJ-SECBINFHSA-N 301.310 -0.528 30 20 DBED Cc1n[nH]cc1CN(C)C(=O)CCn1cc(C#N)c(O)nc1=O 1413193328 ZHYVXKXTVOUVQP-UHFFFAOYSA-N 316.321 -0.099 30 20 DBED C=C(Cl)CN1CCN(CCNC(=O)c2cnn(C)n2)CC1 1419137223 XHGAPFHACIXXAN-UHFFFAOYSA-N 312.805 -0.085 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CN(C)C(=O)c1ccn(C)c(=O)c1 1425833584 LHHHGZNTUMKOHP-JQWIXIFHSA-N 320.349 -0.906 30 20 DBED COCCC(=O)N[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1O 1426632159 RQAJGCICJYXCKM-NEPJUHHUSA-N 306.322 -0.776 30 20 DBED COC(=O)NCC(=O)N1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 1429821380 ONCAMYGBUKSILS-JTQLQIEISA-N 319.321 -0.427 30 20 DBED Cc1cc(N(C)CCNC(=O)Cn2ncnn2)c(C#N)cn1 1439248614 ZZFIFUPNQCVGKE-UHFFFAOYSA-N 300.326 -0.499 30 20 DBED C[C@H](C#N)C(=O)N1CCCCC[C@H]1CNC(=O)Cn1ncnn1 1450288217 LIMVVNPPIBRDJC-NEPJUHHUSA-N 319.369 -0.280 30 20 DBED CC(C)c1nnnn1CC(=O)NCC1CN(C(=O)[C@@H](C)C#N)C1 1450621760 PVRHNXYGZKXCPO-JTQLQIEISA-N 319.369 -0.469 30 20 DBED N#Cc1cn(CCC(=O)NCCC2CC(O)C2)c(=O)nc1O 1466831371 AIYCUXYVBXKFMS-UHFFFAOYSA-N 306.322 -0.512 30 20 DBED COC[C@H](O)CNC[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 1491796632 YKNPOSHVGPVFNZ-WCQYABFASA-N 306.366 -0.055 30 20 DBED C=C(Cl)CN1CC(CNC(=O)Cn2nc(C)n(C)c2=O)C1 1494617970 GDDJNQWVBFOMQG-UHFFFAOYSA-N 313.789 -0.309 30 20 DBED CCS(=O)(=O)CC(=O)NCC1CN(C(=O)[C@@H](C)C#N)C1 1530792264 WCNUBXSSKINYOW-VIFPVBQESA-N 301.368 -0.845 30 20 DBED C=CCNC(=O)CN1CC=C(CCNC(=O)CNC(=O)O)CC1 1573369481 ZXPFNDVQJGCKLI-UHFFFAOYSA-N 324.381 -0.305 30 20 DBED C#C[C@@H]1COCCN1C(=O)[C@H](O)c1ccc(-c2nn[nH]n2)cc1 1588331974 ZRFPMDYRLNPDJQ-CHWSQXEVSA-N 313.317 -0.239 30 20 DBED C#CCC1(O)CCN(C(=O)C(=O)N(C)C[C@@H](C)C(=O)O)CC1 1588391875 QDLMGUDPABAKRI-LLVKDONJSA-N 310.350 -0.458 30 20 DBED C#CCNC(=O)CN1CCC(N(C)C(=O)[C@@H]2C[C@H]2C(=O)O)CC1 1588483794 JGZBAHZAGIRHSY-CHWSQXEVSA-N 321.377 -0.621 30 20 DBED Cc1c(C(=O)N[C@H]2CCN(O)C2=O)cccc1-c1nn[nH]n1 1591807766 NCJAIFWLPVCCMG-JTQLQIEISA-N 302.294 -0.105 30 20 DBED CC1(NCC(=O)NCC#N)CCN(C(=O)[C@@H]2C[C@@H]2C(=O)O)CC1 1594061169 SSVQCTXGDGPPFJ-MNOVXSKESA-N 322.365 -0.682 30 20 DBED N#CCN(CCC(=O)O)C(=O)COc1ccc(C(N)=O)cc1 1601071202 VPOXUMMQWHASLH-UHFFFAOYSA-N 305.290 -0.009 30 20 DBED CCCc1noc(Cn2c(=O)c(C#N)cn(CC(=O)O)c2=O)n1 1603698701 NKPYNFUIAHHJOI-UHFFFAOYSA-N 319.277 -0.650 30 20 DBED C=CCN(CCOC)C(=O)C(=O)Nc1c(C(=O)O)cnn1C 1609371551 JXMOJEFKUOMWMU-UHFFFAOYSA-N 310.310 -0.282 30 20 DBED Cc1cc(NC(=O)C(=O)N(C)CCC(=O)O)nn1CCC#N 1611146426 SHXRVQPAWLWSAK-UHFFFAOYSA-N 307.310 -0.023 30 20 DBED N#CC1(c2nc(-c3cn(CCO)c(=O)nc3O)no2)CCC1 1647415620 ZSCFKKVIBXYYAK-UHFFFAOYSA-N 303.278 -0.064 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)NCC1(C(N)=O)CCOCC1 1649787208 BHSRNILXFOZAGU-JTQLQIEISA-N 318.399 -0.806 30 20 DBED CC(=O)NC[C@@H]1CN(C(=O)NCc2ccc(C#N)cn2)CCO1 1649808403 PUQVFBWDJLYROM-CQSZACIVSA-N 317.349 0.000 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@@H](NC(=O)CCc2nc[nH]n2)C1 1713820699 NHAWWFSDJFJFHS-NWDGAFQWSA-N 318.381 -0.934 30 20 DBED CCN(CC#N)CCCNC(=O)c1coc(S(N)(=O)=O)c1 1752193605 WLNDIFJDBONBNS-UHFFFAOYSA-N 314.367 -0.108 30 20 DBED C#CCN(CCCNC(=O)Cn1ccc(O)nc1=O)C(C)C 1753289864 YZTRGGOJLQQPJK-UHFFFAOYSA-N 306.366 -0.201 30 20 DBED CC[C@@H]1CCO[C@@H]1C(=O)NC[C@@H](C)CNCC(=O)NCC#N 1753620009 IPCIQPZEERQDMF-SCRDCRAPSA-N 310.398 -0.217 30 20 DBED C#CCNC(=O)CNC[C@@H]1CCC[C@H]1NC(=O)Cc1cc[nH]n1 1753882317 KOICASCSJDLWON-GXTWGEPZSA-N 317.393 -0.424 30 20 DBED C[C@@H](CCNCc1nc(=O)n(C)[nH]1)NC(=O)c1c[nH]c(C#N)c1 1753960320 YJFCYFDXKACNBU-VIFPVBQESA-N 317.353 -0.394 30 20 DBED C=CCN1CC[C@H](N2CC(O)(CNC(=O)c3ccon3)C2)C1=O 1754765528 NPWRVMHODOTLRC-LBPRGKRZSA-N 320.349 -0.762 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)[C@H](CC(=C)C)NC(C)=O 1754972121 FKWLDYWNAAQWNR-CABCVRRESA-N 307.394 -0.093 30 20 DBED C#CCCN1CCOC[C@@H]1CNC(=O)[C@H](C)CN1CCOCC1 1754975170 UVPBOVMHJBRKGK-CVEARBPZSA-N 323.437 -0.205 30 20 DBED C#CCCN1CCN([C@H]2CCN(C(=O)[C@H](C)NC(C)=O)C2)CC1 1755017932 SLWUUCOZYQVJOJ-HOCLYGCPSA-N 320.437 -0.247 30 20 DBED C=CCN1CCN([C@H]2CCN(C(=O)C[C@@H](C)NC(N)=O)C2)CC1 1755019787 RLXZAIVPNMABIG-KGLIPLIRSA-N 323.441 -0.162 30 20 DBED C#CCN(C)CCCN(C)C(=O)[C@H](C)NS(=O)(=O)CC 1755038394 WTNFEXJQEQYHRS-LBPRGKRZSA-N 303.428 -0.272 30 20 DBED C=CCNC(=O)[C@H](C)N1CC([C@@H](C)NC(=O)c2nc[nH]n2)C1 1755388360 ZVROGYXQFUGNFQ-ZJUUUORDSA-N 306.370 -0.455 30 20 DBED C=CCN1C[C@H]2C(CNC(=O)CN3CC(=O)N(C)C3=O)[C@@H]2C1 1755434615 UTOSIWGXMHIIPF-RYUDHWBXSA-N 306.366 -0.640 30 20 DBED Cc1nc([C@H](C)N[C@H](CO)CNC(=O)CSCC#N)no1 1755623400 FKIFTONMJUGUKY-WPRPVWTQSA-N 313.383 -0.238 30 20 DBED CC#CCN[C@@H](CO)CNC(=O)c1cnc2c(c1)nnn2C 1755633293 RDSHWLRYBCNYHS-LLVKDONJSA-N 302.338 -0.933 30 20 DBED C=CCN[C@H]1CN(C(=O)C[C@H](NC(C)=O)C(N)=O)CC1(C)C 1755763346 FHDFSOMEMCTOTN-RYUDHWBXSA-N 310.398 -0.621 30 20 DBED CCc1cc(C(=O)N(C)C[C@H](O)CNCC#CCOC)nn1C 1755796545 RCJDXRWTLVQMLV-CQSZACIVSA-N 322.409 -0.345 30 20 DBED C=CC(C)(C)CC(=O)N1CCO[C@]2(CCN(C(=O)C(N)=O)C2)C1 1756169065 MCJOQOXIYRHQLZ-MRXNPFEDSA-N 323.393 -0.096 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C[C@@H](C)NC(=O)c1cnc(O)n1C 1756453553 QCAUHWDRFARHIQ-MNOVXSKESA-N 322.365 -0.259 30 20 DBED C[C@@H]1CCN(CC(=O)NC[C@@H](CO)NC(=O)C#CC(C)(C)C)C1 1756549959 KGIXQYFGOAWIDI-KGLIPLIRSA-N 323.437 -0.029 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@H](O)CN(C)C(=O)c1cn[nH]c1 1756654768 YPYPTMVBELGSAS-BXUZGUMPSA-N 310.354 -0.714 30 20 DBED C#Cc1ccc(C(=O)N(C)C[C@@H](O)CN(C)C(=O)C(N)=O)cc1 1756687628 LINGXTBXEYVXOJ-CYBMUJFWSA-N 317.345 -0.956 30 20 DBED CN1CC(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C#CC(=O)O)C1 1801991527 OSLYDBSBYHUJQY-CLLJXQQHSA-N 319.361 -0.726 30 20 DBED C#CCCC(=O)N1CCC2(CCCN(C(=O)C(O)O)C2)CC1 1805288477 HUOQYPPERVKCGI-UHFFFAOYSA-N 308.378 -0.058 30 20 DBED O=C1CC[C@@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C#CC2CC2)N1 1847745367 JMWVUIKQYCYUOH-IHRRRGAJSA-N 315.373 -0.120 30 20 DBED COC[C@](C)(O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 86560600 NUSPQGMRZVDXKX-HNNXBMFYSA-N 304.350 -0.001 30 20 DBED CC(C)[C@H](C#N)N1CCN(C(=O)CN(C)CC(=O)N(C)C)CC1 92617199 PXBWQYKUTXEGFK-AWEZNQCLSA-N 323.441 -0.301 30 20 DBED CCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)N(C)CCC#N 105934729 RGXZMBNFYVNMHK-NSHDSACASA-N 323.440 -0.024 30 20 DBED Cc1ccc(C#N)cc1S(=O)(=O)N[C@@H]1CC(=O)N(C)C1=O 116074694 REJROIZASVVTTL-SNVBAGLBSA-N 307.331 -0.098 30 20 DBED C=CC[C@H](C)NS(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C 116905057 GLFOHJXNRIVLCE-QMMMGPOBSA-N 324.362 -0.135 30 20 DBED N#CCC1(O)CN(C(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)C1 186832026 NHMSYJHRQOVTDM-QMMMGPOBSA-N 305.256 -0.116 30 20 DBED C/N=C(/NCCn1cncn1)N1CCO[C@H](c2cnn(C)c2)C1 261859552 ZDAOPLRZJKHJEY-ZDUSSCGKSA-N 318.385 -0.340 30 20 DBED Cn1cc(C/N=C(/N)N2CCN(c3ncccn3)CC2)cn1 261968058 BZUMYCPNFNEIBN-UHFFFAOYSA-N 300.370 -0.153 30 20 DBED COCCN1CCN(S(=O)(=O)c2cccnc2C#N)CC1=O 277146728 KMLRZDXPOLWFMJ-UHFFFAOYSA-N 324.362 -0.567 30 20 DBED CN(C)S(=O)(=O)N(CC#N)CC(=O)NCc1ccccc1 283575049 QNQGOHJOXOOSRE-UHFFFAOYSA-N 310.379 -0.065 30 20 DBED C=CCNC(=O)CNC(=O)N1C[C@H](C)S(=O)(=O)[C@@H](CC)C1 286694722 IPTJSNVEBGOIGX-QWRGUYRKSA-N 317.411 -0.104 30 20 DBED N#Cc1ccc(S(=O)(=O)NC[C@H](O)CN2CCOCC2)o1 287774465 KBLKGUCEDAMROQ-JTQLQIEISA-N 315.351 -0.877 30 20 DBED COCCNC(=O)CN1CCN(c2ccc(C#N)nn2)CC1 301845645 SXPROTJMKDELAC-UHFFFAOYSA-N 304.354 -0.767 30 20 DBED CN1CC[C@@H]2OCCN(C(=O)CNc3ccc(C#N)cn3)[C@@H]2C1 329212435 ZXFUKFAABGXTEV-KGLIPLIRSA-N 315.377 0.297 30 20 DBED Cc1cc(N2CC[C@H](/N=C(/O)N3CC(CO)C3)C2=O)n(C)n1 330077753 FIRWZRUJXKZVKA-NSHDSACASA-N 307.354 -0.328 30 20 DBED CO[C@H]1CN(/C(O)=N/[C@@H](C)CN2CCOCC2)C[C@H]1OC 331117272 NXUQDIJFYLQCQQ-RWMBFGLXSA-N 301.387 -0.033 30 20 DBED CC[C@@H]1CN(C(=O)Cn2cnc(C#N)n2)C[C@@H]1N1CCOCC1 332199976 RKMMQNXEUYDULM-OLZOCXBDSA-N 318.381 -0.281 30 20 DBED N#Cc1ccc(OCC(=O)NCc2cn(CC(=O)O)nn2)cc1 336871887 NTWGETYFUCHAGO-UHFFFAOYSA-N 315.289 -0.070 30 20 DBED COCCN(CCC#N)S(=O)(=O)NC(C)(C)C(=O)OC 336916796 MVRREQJTAHGQPN-UHFFFAOYSA-N 307.372 -0.366 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCO[C@H](C(=O)NC)C1 336937292 GTMSLROUYFURQB-MNOVXSKESA-N 318.399 -0.840 30 20 DBED CN1CC[C@@H]2CCN(S(=O)(=O)N3CCO[C@H](C#N)C3)[C@H]2C1 336945256 NCPHEKVPBIIOCZ-UPJWGTAASA-N 314.411 -0.518 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1CC[C@@](C)(C(N)=O)C1 337154050 MMGUYXPHSJLLRF-GFCCVEGCSA-N 318.399 -0.709 30 20 DBED C=CCN(C[C@@](C)(O)C(=O)OCC)[C@H]1CCS(=O)(=O)C1 355073440 GQDYZFLSLRVFAY-WCQYABFASA-N 305.396 -0.024 30 20 DBED CC(C)C[C@H](NS(=O)(=O)[C@@H](C)C#N)C(=O)NCCN(C)C 416437954 IZPXLBBJSSKTCB-RYUDHWBXSA-N 318.443 -0.090 30 20 DBED CC1(C)CCCN[C@@H]1CNC(=O)C(=O)N1CCO[C@H](C#N)C1 420158312 HEKBYHFXWHMOFW-VXGBXAGGSA-N 308.382 -0.368 30 20 DBED Cn1cc(CN2Cc3nnc(O)n3C[C@H]2C(=O)O)cc1C#N 424414917 RGRRVHWIGLYLKH-JTQLQIEISA-N 302.294 -0.337 30 20 DBED COCCCS(=O)(=O)NCC(=O)N[C@H](C#N)C(C)(C)C 427487451 PFSAEIZQFREHJX-SNVBAGLBSA-N 305.400 -0.003 30 20 DBED N#C[C@H]1CN(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)CCO1 436133123 VGMOKAPLZARHFP-NSHDSACASA-N 324.362 -0.503 30 20 DBED CCN1C[C@@H](NS(=O)(=O)N(CC)C[C@H](C)C#N)CC1=O 451863516 FRXUDASCUOPAPF-MNOVXSKESA-N 302.400 -0.077 30 20 DBED N#CCNC(=O)CNS(=O)(=O)c1cc(F)cc(C(=O)O)c1 505858815 KRDGJKAVKLDTNQ-UHFFFAOYSA-N 315.282 -0.558 30 20 DBED C[C@H](C#N)CNC(=O)N1CCN(C(=O)CN2CCOCC2)CC1 542877403 MJXVZSTUEHATRF-CYBMUJFWSA-N 323.397 -0.668 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N[C@@H]2CCO[C@@H]2C2CC2)CCO1 554519276 CEALKYHVCSXSQT-IJLUTSLNSA-N 301.368 -0.387 30 20 DBED CS(=O)(=O)N1CC[C@H](NS(=O)(=O)CC2(CC#N)CC2)C1 572607912 MGEXBZNRYCQMQG-JTQLQIEISA-N 321.424 -0.366 30 20 DBED CCCn1c(N)c(C(=O)CN2CC(C)(C#N)C2)c(O)nc1=O 575759583 SWQVVGPOYKZZMA-UHFFFAOYSA-N 305.338 -0.031 30 20 DBED COc1cc(C#N)ccc1NC(=O)C(=O)N(C)CCOCCO 579448531 KJQIMKDGAPFBAG-UHFFFAOYSA-N 321.333 -0.027 30 20 DBED C[C@@H](O)C1(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 598387231 SIOKBGWUGBIIAY-SNVBAGLBSA-N 323.374 -0.134 30 20 DBED CS(=O)(=O)NCCNS(=O)(=O)c1cccc(CC#N)c1 619475073 SXZAYUGWHKQWBS-UHFFFAOYSA-N 317.392 -0.420 30 20 DBED C=C[C@H](CO)N[C@@H](C)C(=O)N(CC)[C@@H]1CCS(=O)(=O)C1 662168069 XLCNMRWCYHDGIY-QJPTWQEYSA-N 304.412 -0.453 30 20 DBED Cc1nc2nc(N)nn2c(C)c1CC(=O)n1ncc(C#N)c1N 746888910 LQKWGBQBJMHOBY-UHFFFAOYSA-N 311.309 -0.143 30 20 DBED C[C@@H](NC(=S)NN=Cc1cn(C)c(=O)n(C)c1=O)C1CC1 751531648 NAQRXJVCUSVXBO-MRVPVSSYSA-N 309.395 -0.320 30 20 DBED CCNS(=O)(=O)[C@@H]1CCN(Cn2ccc(C)c(C#N)c2=O)C1 758249000 ONBPLTAQEBSNTM-GFCCVEGCSA-N 324.406 -0.001 30 20 DBED COC[C@@H](C)NC(=S)NN=Cc1cn(CC(=O)O)nn1 768475901 DZZYINUCFVIDAE-SSDOTTSWSA-N 300.344 -0.804 30 20 DBED C=CCCOCC(=O)OCc1nc2c(=O)n(C)c(=O)n(C)c2[nH]1 785239502 PHUAOSVXSGDCLH-UHFFFAOYSA-N 322.321 -0.404 30 20 DBED C[C@H](OC(=O)[C@H](C)S(C)(=O)=O)C(=O)NC1(C#N)CCC1 787650958 JRSKWYYKZWDPSW-IUCAKERBSA-N 302.352 -0.086 30 20 DBED C[C@@H](OC(=O)[C@@H](C)S(C)(=O)=O)C(=O)NC1(C#N)CCC1 787650968 JRSKWYYKZWDPSW-RKDXNWHRSA-N 302.352 -0.086 30 20 DBED CCOC(=O)[C@H]1NC(=O)N(CCNc2ccc(C#N)cn2)C1=O 794781577 WPGOOGVZOKZFAW-NSHDSACASA-N 317.305 -0.151 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)OCc2ccnc(C)n2)C1=O 795485342 DKXDAMUXNYFDAL-UHFFFAOYSA-N 318.289 -0.195 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@@H]1CCN(CCOC)C1)[C@H]1CCCO1 804901700 YNAODMUDXYCSRH-HZSPNIEDSA-N 323.393 -0.880 30 20 DBED C#C[C@@H](NC(=O)C(=O)NCCc1ccn(C)n1)[C@H]1CCCO1 809175946 ICCQMJUUDVYQKP-CHWSQXEVSA-N 304.350 -0.624 30 20 DBED CC(=NNC1=NC[C@@H](C)N1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 811647176 ZOTQKBKIUAYHHY-SSDOTTSWSA-N 300.322 -0.122 30 20 DBED COC(=O)CCn1nc(C)c(C=Nn2c(O)nnc2O)c1C 814231740 MOJRMCJARJNSFC-UHFFFAOYSA-N 308.298 -0.052 30 20 DBED C=C[C@@H](C)ONC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 845640514 VUAUEYFHDAQREY-SNVBAGLBSA-N 310.354 -0.375 30 20 DBED C#CC(C)(C)NC(=O)CS(=O)(=O)CC(=O)NC(C)(C)C#C 847494121 UYRNXMGYCNAXPN-UHFFFAOYSA-N 312.391 -0.543 30 20 DBED C=CCOCCCC(=O)NS(=O)(=O)c1cc(C(N)=O)no1 847997660 WXLUYUILFAWFLE-UHFFFAOYSA-N 317.323 -0.439 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N1CCC[C@@H](CC(N)=O)C1 850712498 LSWMCXFRALLVAT-ZDUSSCGKSA-N 323.393 -0.401 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)Nc1ccnc(OC)n1 862192450 FFRYXQLEELIKCT-SNVBAGLBSA-N 306.322 -0.032 30 20 DBED C#CC1(O)CN(C(=O)[C@@]2(O)CCN(Cc3ccccc3)C2)C1 890522836 LZBKBSVRSDMJTQ-QGZVFWFLSA-N 300.358 -0.170 30 20 DBED C#CC1(O)CN(C(=O)c2ccc(C[C@@H]3CC(=O)NC3=O)cc2)C1 890523554 RZPVTGPVIGPXFS-CYBMUJFWSA-N 312.325 -0.288 30 20 DBED C#C[C@H](NC(=O)C(=O)N1C[C@H]2CC[C@@H](O)[C@H]2C1)[C@@H]1CCCO1 898004096 XVZIJIVFYLVJRD-HTOAHKCRSA-N 306.362 -0.487 30 20 DBED C#CC[C@@H](CO)NC(=O)NC[C@@H](C)CN1CCN(CC)CC1 920462818 WLCCTUNVCUGNRM-CABCVRRESA-N 310.442 -0.057 30 20 DBED C=CCOC[C@H]1NC(=O)N(CCc2nnc(S)n2C)C1=O 925302213 ZLXKKLLJGQQAMT-MRVPVSSYSA-N 311.367 -0.231 30 20 DBED CN1CCN(C(=O)C(=O)NCc2cc(C#N)ccc2F)CC1=O 931601399 ZHJYEYINUDLCIQ-UHFFFAOYSA-N 318.308 -0.386 30 20 DBED Cn1cc(C(=O)N[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)nn1 937902386 XTOAZADSAKLMBY-JTQLQIEISA-N 313.321 -0.341 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](N(C)C(=O)c2cc(=O)n(C)o2)C1 939398741 ZKIQHRQMWMHKKK-VHSXEESVSA-N 306.322 -0.189 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)c3ncn(C)n3)C2)nc1 940276448 XEMHHVLZPOQQBH-GFCCVEGCSA-N 324.344 -0.164 30 20 DBED CO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1NC(=O)c1cncnc1O 942333962 SWMZJRIXDFRLNP-JMJZKYOTSA-N 319.321 -0.703 30 20 DBED C=CCCn1cc(C(=O)N[C@@H]2CCN(CC(N)=O)C[C@H]2C)nn1 943495063 BUSVESYROWTVIX-VXGBXAGGSA-N 320.397 -0.220 30 20 DBED Cn1cc(C(=O)NC[C@@H]2CN(C(=O)C#CC3CC3)CCO2)nn1 944581782 IRJKCWHDMKCNIP-GFCCVEGCSA-N 317.349 -0.814 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2[C@H]3C[C@H]2N(C(=O)c2nc[nH]n2)C3)cn1 947673001 DCNFYFOWMNAWEF-UHTWSYAYSA-N 322.328 -0.176 30 20 DBED Cn1cc(C(=O)N2CCOC3(CCN(CC#N)CC3)C2)nn1 949087002 WFWNSMPHUPWHHP-UHFFFAOYSA-N 304.354 -0.354 30 20 DBED CNC(=O)[C@@H](C)N1CCOC2(CCN(C(=O)[C@@H](C)C#N)CC2)C1 949319877 DDTKFLLIBXFMCT-QWHCGFSZSA-N 322.409 -0.026 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2CCN2C(=O)Cn2cncn2)nc1 951382087 UDWRBVPHXRYURY-CYBMUJFWSA-N 324.344 -0.315 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H](NC(=O)CN2CCOCC2=O)C1 951870867 YIGSPMTWKSNLIE-NWDGAFQWSA-N 322.365 -0.888 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]1CNC(=O)c1ccc(=O)n(C)n1 952185752 YQIIUOGCWXSWBI-ZJUUUORDSA-N 303.322 -0.729 30 20 DBED C[C@@H](C#N)C(=O)N1CC(N(C)C(=O)C[C@H]2CCN(C)C2=O)C1 954532385 CJMQHOUSDVTLGM-WDEREUQCSA-N 306.366 -0.316 30 20 DBED COc1cnc(C(=O)N(C)C2CN(C(=O)[C@@H](C)C#N)C2)nc1 954887728 NOYRHTQOABIZSE-VIFPVBQESA-N 303.322 -0.072 30 20 DBED Cc1c(C(=O)NC[C@@H]2CN(CC#N)C[C@@H]2O)nn2c1OCCC2 958121436 GNDGGJICAOAGOB-NEPJUHHUSA-N 319.365 -0.480 30 20 DBED C=CCN1C[C@H](O)[C@H](CNC(=O)c2cc(=O)c(OC)co2)C1 958263571 QYAHQDITDXAWOC-PWSUYJOCSA-N 308.334 -0.143 30 20 DBED Cc1cn2nc(C(=O)N[C@H]3[C@@H]4CN(CC#N)C[C@@H]43)cc2c(=O)[nH]1 961347371 JETSWLCDBMVXCS-IWIIMEHWSA-N 312.333 -0.485 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CN(C(=O)[C@H]3CCCC(=O)N3)C[C@H]2C1 961775485 YITTVTNLJALEJA-WUHRBBMRSA-N 318.377 -0.268 30 20 DBED C=CCn1cc(C(=O)NC2[C@H]3CN(Cc4cnon4)C[C@H]23)nn1 961990980 FLGPAAYJIBMXDB-QWRGUYRKSA-N 315.337 -0.293 30 20 DBED Cc1nccc(C(=O)NC[C@H]2COCCN2C(=O)[C@H](C)C#N)n1 964197118 JKYCHCLMSSOPNM-PWSUYJOCSA-N 317.349 -0.098 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)C1(C(N)=O)CC1 969787386 JDFRCXGFKFJBIK-MXWKQRLJSA-N 304.350 -0.387 30 20 DBED C#CCN1C[C@H]2CC[C@H]1CN2C(=O)[C@H]1CN(C(C)=O)CCO1 972070106 OIJRIGWTLSMZRA-RRFJBIMHSA-N 305.378 -0.458 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CCN(C(=O)C(N)=O)C[C@H]21 972393824 IMJBIRMSLUJBLP-XQHKEYJVSA-N 321.377 -0.488 30 20 DBED N#CCN1CCO[C@]2(CCN(C(=O)[C@@H]3CCC(=O)NC3)C2)C1 972444937 XKJPJYIIIXNXJR-IUODEOHRSA-N 306.366 -0.661 30 20 DBED CC#CCN1CCO[C@]2(CCN(C(=O)[C@@H]3CN(C)C(=O)N3)C2)C1 972504566 OQYNTLCRABZROK-XJKSGUPXSA-N 320.393 -0.663 30 20 DBED C[C@H]1C[C@H](NCC#N)CN1C(=O)CN1CCCCS1(=O)=O 989193495 KBWUOFIZLZLJTI-RYUDHWBXSA-N 314.411 -0.485 30 20 DBED CN1C[C@H](C(=O)N2CC(NC(=O)c3cc(C#N)c[nH]3)C2)CC1=O 990703467 KEXIYKQNEIGELF-SNVBAGLBSA-N 315.333 -0.695 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)c3cnnn3C)C[C@]2(C)C1 992844527 NQPMXVGKUFECIN-HFAKWTLXSA-N 316.365 -0.105 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCCN(CC(=O)NC)[C@H]2C)nn1 993947115 FRVCICOCCKQLRJ-RYUDHWBXSA-N 320.397 -0.207 30 20 DBED C#CCNC1CCN(C(=O)[C@H]2C[C@H](OC)CN2C(C)=O)CC1 996844876 UFJKIDFCNQSRPD-LSDHHAIUSA-N 307.394 -0.164 30 20 DBED C[C@@H](C#N)C(=O)N1CC(CNC(=O)[C@H]2CCNC(=O)CC2)C1 1003344607 CSEDWKGBIWBPIR-CMPLNLGQSA-N 306.366 -0.363 30 20 DBED C[C@H]1CCN(C(=O)C(N)=O)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 1004745386 QNCORPNLKJMSQB-GZMMTYOYSA-N 303.322 -0.662 30 20 DBED CC#CCN1CCC[C@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)C1 1009091967 YXBVEPQJMLLITH-LBPRGKRZSA-N 320.393 -0.079 30 20 DBED NC(=O)CC(=O)N1CC2(CCCN(C(=O)C#CC3CC3)C2)C1 1010594075 WGNSMSAIPDAYMT-UHFFFAOYSA-N 303.362 -0.274 30 20 DBED C[C@@H](C(=O)N1CCN(C(=O)C#CC2CC2)CC1)[C@H]1CCC(=O)N1 1011110231 QNURJDLBIQEZIB-TZMCWYRMSA-N 317.389 -0.015 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCN(C(=O)[C@H]3CCN(C)C3=O)C2)C1 1019364551 GUYLGSXRTFIOIS-NEPJUHHUSA-N 318.377 -0.315 30 20 DBED Cc1cnn(C)c1C(=O)N[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1O 1025135949 JPJQGRDYKONFKB-FBIMIBRVSA-N 305.338 -0.810 30 20 DBED N#Cc1c[nH]c(C(=O)N2C[C@@H]3CC[C@@H](NCC(N)=O)[C@H]3C2)c1 1026230104 WKONJROFCPFYMC-SDDRHHMPSA-N 301.350 -0.188 30 20 DBED C=C(C)CN[C@@H]1CC[C@H]2CN(C(=O)CN3CCNC(=O)C3)C[C@@H]21 1026330570 JNXQYEVMSSIMQL-SOUVJXGZSA-N 320.437 -0.179 30 20 DBED CO[C@H]1C[C@H](C(=O)NC[C@@H]2CCN(CC#N)C2)N(C(C)=O)C1 1028716410 XOPUECINLSCCRH-MELADBBJSA-N 308.382 -0.416 30 20 DBED C=CCN1[C@H]2CC[C@H]1CN(C(=O)c1cn(C)c(=O)n(C)c1=O)C2 1029499982 WPFMMGJNNDYIPZ-RYUDHWBXSA-N 318.377 -0.441 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)c3cnn(C)n3)C2)C1=O 1031099630 OTZDEQPPKGXPRQ-LBPRGKRZSA-N 304.354 -0.984 30 20 DBED C#CCCN1CCO[C@H](CNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1035453830 GUDDUOCXHWHMAL-XUWVNRHRSA-N 322.405 -0.122 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)c2ccnc3nc(C)nn23)C1 1035574610 ROKGPALVHRZXNX-LBPRGKRZSA-N 314.349 -0.503 30 20 DBED C[C@H](c1nnnn1C)N1CC[C@H]1CNC(=O)c1ccc(C#N)[nH]1 1038172636 JCLAORPTZYBGQQ-KOLCDFICSA-N 314.353 -0.025 30 20 DBED Cn1c(O)ncc(C(=O)N2[C@H]3CC[C@H]2CN(CC#N)CC3)c1=O 1039415290 CESDFFAINFZDGW-QWRGUYRKSA-N 317.349 -0.312 30 20 DBED C=CC(C)(C)C(=O)NC[C@]1(O)CCN(C(=O)Cn2cncn2)C1 1040487871 FWZMSIFZIIMHMR-OAHLLOKOSA-N 321.381 -0.430 30 20 DBED C[C@@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)CCc2ccon2)C1 1040764979 DIHLTSBZEDKFOY-XHDPSFHLSA-N 320.349 -0.154 30 20 DBED C#CCN1CC[C@]2(CCN(C(=O)CN3CCCNC3=O)C2)C1 1041441345 XARCLIMELITHFW-INIZCTEOSA-N 304.394 -0.041 30 20 DBED Cc1cc(C#N)nc(N[C@@H]2C[C@H]3CC[C@H]2N(C(=O)C(N)=O)C3)n1 1041679921 WVZQLTIVLZQBPN-YUSALJHKSA-N 314.349 -0.067 30 20 DBED C[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1NC(=O)[C@H]1CCC(=O)N1 1041794238 DOYQPLVLDKWVGW-YUSALJHKSA-N 314.349 -0.432 30 20 DBED C[C@@H]1CN(c2nccnc2C#N)C[C@H]1NC(=O)c1cnn(C)n1 1042057743 GPSKYRNWLBKMBP-BXKDBHETSA-N 312.337 -0.269 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)c2cncnc2)C1 1042712777 IFSXOSRANMLJMI-UHFFFAOYSA-N 304.350 -0.008 30 20 DBED C=CCCCC(=O)N1CC(O)(CNC(=O)CCn2ccnn2)C1 1042780575 BGRDJLWFIAXKOF-UHFFFAOYSA-N 321.381 -0.286 30 20 DBED CCn1nncc1C(=O)N1CC(O)(CNC(=O)C#CC(C)C)C1 1042936479 JOLRVMJSYZDMSV-UHFFFAOYSA-N 319.365 -0.740 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)Cc2ccn(C)n2)C1 1042988431 WRVOIJRRJYXAOJ-UHFFFAOYSA-N 320.393 -0.136 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)C2(N(C)C)CCC2)C1 1043456359 UOWKROSFLTWKQB-UHFFFAOYSA-N 321.421 -0.180 30 20 DBED CO[C@@H](C)C(=O)N1CCO[C@@H]2CN(c3ccc(C#N)nn3)C[C@@H]21 1043671600 WISAZQJJSCYGPH-WCFLWFBJSA-N 317.349 -0.201 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H]2CN(c3cnc(C#N)cn3)C[C@@H]21 1043680711 LMAVFJYZWUSNEA-KGYLQXTDSA-N 312.333 -0.076 30 20 DBED Cn1cccc1C(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1043866195 ZJJAZNROGWUNPE-YPMHNXCESA-N 312.333 -0.334 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CN(Cc2nnnn2C)C1 1043896113 MRZSGZVAOIFQHS-NEPJUHHUSA-N 306.370 -0.556 30 20 DBED C[C@@H]1OCC[C@@]1(C)C(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1043950296 PPXJNSDWPLGAOU-BLLLJJGKSA-N 320.389 -0.096 30 20 DBED C#CCN1CCC(C(=O)N(C)C2CN([C@@H](CC)C(N)=O)C2)CC1 1044336122 YFINVSXOVTUJNA-HNNXBMFYSA-N 320.437 -0.262 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)[C@H](F)C(C)C)C1 1044965662 QESPTEJDSSTBIV-CYBMUJFWSA-N 314.357 -0.290 30 20 DBED COCCN1C[C@H](C(=O)N[C@]2(C)CCN(CC#N)C2)CC1=O 1046365323 MSYUBFKLIHPBMJ-IUODEOHRSA-N 308.382 -0.415 30 20 DBED Cc1nc(C(=O)N[C@]2(C)CCN(CC#N)C2)nn1-c1nc[nH]n1 1046521940 NTGGNRAWIWIGPM-CYBMUJFWSA-N 315.341 -0.588 30 20 DBED C#CCN1CC[C@](C)(NC(=O)[C@H]2CCc3nnnn3CC2)C1 1046638582 XNDLFIKNCNMUJG-WFASDCNBSA-N 302.382 -0.161 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2COCCN2CC)C1 1047434666 WUITVBDWMHVIHD-KKUMJFAQSA-N 309.410 -0.766 30 20 DBED C#Cc1ccc(C(=O)N(C)[C@H]2CN(CCCO)C[C@@H]2O)cn1 1047598966 CASRGIOQFTVANW-GJZGRUSLSA-N 303.362 -0.438 30 20 DBED CCCOCC(=O)N(C)[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 1048494879 JVUHXNBGRBOZQO-KBPBESRZSA-N 308.378 -0.144 30 20 DBED C=CCO[C@@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2ncc[nH]2)C1 1048799192 VJKVTAVTUCZUFQ-SRVKXCTJSA-N 322.365 -0.356 30 20 DBED CC[C@@H]1[C@@H](NC(=O)C(N)=O)CCN1c1nc(C)cc(C#N)n1 1048956735 ZIABENDWNOPTIP-WDEREUQCSA-N 302.338 -0.385 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cnnc(O)c2)C1 1048995542 FIEIVVGHBYJBLU-RYUDHWBXSA-N 320.349 -0.208 30 20 DBED C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)CC[C@@H]1NC(=O)NC1=O 1049883357 IUFBCFHXPGKCAD-YNEHKIRRSA-N 318.377 -0.327 30 20 DBED C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1cn(CC(N)=O)nn1 1049919748 PMLCSYTXEGKZMF-CHWSQXEVSA-N 316.365 -0.925 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)[C@H]1CCc2nccn2C1 1050988162 AZUVVHXAYOCGHP-KBPBESRZSA-N 302.378 -0.104 30 20 DBED CCc1nnc(CNC[C@H]2CN(C(=O)[C@H](C)C#N)CCO2)n1C 1051493905 BTFAVLUWUABFJQ-NEPJUHHUSA-N 320.397 -0.146 30 20 DBED N#Cc1ccc(N2CC[C@@H](NC(=O)c3nc[nH]n3)[C@H](O)C2)cn1 1051712294 LDNIWNDXJCJXEI-VXGBXAGGSA-N 313.321 -0.559 30 20 DBED C#CCN1CCN([C@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)CC1 1051996010 JNJSWXVSHFFECS-HOTGVXAUSA-N 304.438 -0.068 30 20 DBED C=CCOCC(=O)N1C[C@@H](C)[C@@H](CNC(=O)c2cnn(C)n2)C1 1052220603 LCDHRYJOTNSYGG-NEPJUHHUSA-N 321.381 -0.158 30 20 DBED C=CCOCC(=O)N1C[C@H](CNC(=O)c2ncn(C)n2)[C@@H](C)C1 1052222079 WQTNPCZWOPXLKY-RYUDHWBXSA-N 321.381 -0.158 30 20 DBED C=C[C@H](CC)CC(=O)NC1CCN(CCNC(=O)C(N)=O)CC1 1055629841 LUFUQXVGYRBXFQ-GFCCVEGCSA-N 324.425 -0.229 30 20 DBED COC(=O)[C@H]1C[C@H]1C(=O)N1CCN(c2ccnc(C#N)n2)CC1 1055734599 DCOLFOXDPDJWIG-MNOVXSKESA-N 315.333 -0.194 30 20 DBED CN1CCOC[C@H]1C(=O)N1CCN(c2ccnc(C#N)n2)CC1 1055754198 MTJQLTPQBNNKHX-LBPRGKRZSA-N 316.365 -0.673 30 20 DBED CC(=O)NCC(=O)N1CCC[C@@](CO)(NC(=O)C#CC(C)C)C1 1055935368 SFVIDWXDXAMVOM-MRXNPFEDSA-N 323.393 -0.748 30 20 DBED C[C@@]1(C(=O)N2CC[C@@H](Nc3ccc(C#N)nn3)C2)CCNC1=O 1056777096 KBQCYBZHPVYEBU-IAQYHMDHSA-N 314.349 -0.113 30 20 DBED C=C[C@H](CC)CC(=O)NCCN(CCO)C(=O)Cn1cnnn1 1056932818 BLWYQQRLSNXUDP-GFCCVEGCSA-N 324.385 -0.788 30 20 DBED CN(c1ccc(C#N)nn1)[C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 1057012704 MWMAMQOFFPGUBM-QWRGUYRKSA-N 315.337 -0.933 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)Cc1[nH]cnc1C 1058262043 PXOKCGUQSPEYEB-UHFFFAOYSA-N 324.381 -0.600 30 20 DBED N#Cc1cncc(N2CC[C@@H](NC(=O)C3=COCCO3)C2)n1 1058276257 BJJZACDXEAHXTQ-SNVBAGLBSA-N 301.306 -0.069 30 20 DBED CN1CCOC[C@H]1C(=O)N[C@H]1CCN(c2cnc(C#N)cn2)C1 1058318743 FPKLEKVPIDVFRP-AAEUAGOBSA-N 316.365 -0.626 30 20 DBED C[C@@]1(C(=O)N[C@H]2CCN(c3ccc(C#N)nn3)C2)CCC(=O)N1 1058536702 PTOSTEZCNMTSJS-NHYWBVRUSA-N 314.349 -0.288 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)CCc1cn[nH]c1 1058659260 WCIPRRSTDKEZSR-LLVKDONJSA-N 307.354 -0.561 30 20 DBED Cn1ncc(C(=O)N2CC[C@H](Nc3nccnc3C#N)C2)c1N 1058877873 KFAAQAJTNAKXMW-VIFPVBQESA-N 312.337 -0.009 30 20 DBED C=CCOCC(=O)N1CC[C@H](CCNC(=O)c2nnn(C)n2)C1 1059338074 XHTWZIVZQIFLRC-NSHDSACASA-N 322.369 -0.619 30 20 DBED C=CCCC(=O)N1CCOC[C@@H]1CNC(=O)CNC(=O)C1CC1 1061347163 YNWQXCPKVFZSOA-ZDUSSCGKSA-N 323.393 -0.178 30 20 DBED C=C(C)CCC(=O)NC[C@@H]1COCCN1C(=O)[C@H]1C[C@H]1C(N)=O 1061630686 AWZCWJHLJUDMBD-UPJWGTAASA-N 323.393 -0.192 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)c1ccc(O)nn1 1061845520 IMODMCLIZSGSCH-UWVGGRQHSA-N 319.321 -0.701 30 20 DBED Cc1cn(C)nc1C(=O)N1CCOC[C@@H]1CNC(=O)[C@H](C)C#N 1061847912 NTCOKOBHISPFDX-PWSUYJOCSA-N 319.365 -0.155 30 20 DBED C#CCNC(=O)CC(=O)N1CCCC[C@@H]1CNC(=O)[C@H](C)C#N 1062140725 SHRZFLOHDQIZND-CHWSQXEVSA-N 318.377 -0.217 30 20 DBED CNC(=O)NCC(=O)NC[C@H]1CCCCN1C(=O)[C@H](C)C#N 1062333966 IKOBSONHDOIKJN-GHMZBOCLSA-N 309.370 -0.428 30 20 DBED CN(C(=O)[C@@H]1COCCO1)[C@H]1CCN(c2ccc(C#N)nn2)C1 1062886010 LMEXKAUZBRHALN-STQMWFEESA-N 317.349 -0.199 30 20 DBED N#Cc1nc(=NC[C@H]2CCCN2C(=O)[C@@H]2COCCO2)cc[nH]1 1063439523 GCIROHQSDHAREI-NEPJUHHUSA-N 317.349 -0.412 30 20 DBED CCc1nc(C#N)cc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)C(N)=O)n1 1064336796 MRZLEJUMPSIFDC-VFWDIBGWSA-N 300.322 -0.911 30 20 DBED Cn1cnc(C(=O)N2C[C@@H]3CN(c4cncc(C#N)n4)C[C@@H]3C2)n1 1065999002 DTMLIGVMWLXXGF-PHIMTYICSA-N 324.348 -0.315 30 20 DBED C#CCO[C@H](C)C(=O)N(C)CCCN(C)C(=O)c1cnn[nH]1 1067429811 DLYFSDQOFKICJD-LLVKDONJSA-N 307.354 -0.237 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CN(C(=O)CCCN(C)C)CCO2)C1 1068446504 YMOJQFJZGWQAFE-ZDUSSCGKSA-N 322.409 -0.072 30 20 DBED C[C@@H]1C[C@@H](N=c2cc[nH]c(C#N)n2)CN1C(=O)Cn1nccn1 1069155336 SIYPORMOVDDKRJ-GHMZBOCLSA-N 312.337 -0.537 30 20 DBED N#CCN1C[C@H]2C[C@H]3CN(C(=O)[C@H]4CCCC(=O)N4)C[C@@]3(C1)O2 1070814764 IYEVBHIXURASIR-VPWBDBDCSA-N 318.377 -0.520 30 20 DBED C=CCO[C@H](C)C(=O)N1CCC[C@@H](NC(=O)C2(C(N)=O)CC2)C1 1070904631 YNIQHDWKHIJREU-VXGBXAGGSA-N 323.393 -0.050 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)C[C@@H]2CCOC2)CC1 1070949825 ZNXRLLQQXZUBMT-AWEZNQCLSA-N 307.394 -0.303 30 20 DBED C[C@H](C(=O)N1CCC(=O)NCCN(CC#N)CC1)[C@@H]1CCCO1 1070996529 WTTUVMDFJNUDNM-KBPBESRZSA-N 322.409 -0.024 30 20 DBED C#CCCN1CCC2(C1)CN(C(=O)CN1CC(=O)NC1=O)C2 1073060658 FNFJOQACGPRQBJ-UHFFFAOYSA-N 304.350 -0.904 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@@H](NC(=O)CC(N)=O)C(C)(C)C1 1073355583 QBKYEASWIOGCNT-VXGBXAGGSA-N 323.393 -0.357 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(C(=O)c2nnn(C)n2)C[C@H]1C 1073819207 ATDNFZGRDZTULV-GHMZBOCLSA-N 322.369 -0.621 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)c2c[nH]c(C(N)=O)c2)C1 1073885964 CNOPNISJRJZNKL-GFCCVEGCSA-N 304.350 -0.433 30 20 DBED C#CCCN1CCO[C@@H]2CCN(C(=O)c3cc(=O)n(C)o3)C[C@H]21 1074226467 QHOWWAHJQJGBLE-CHWSQXEVSA-N 319.361 -0.083 30 20 DBED Cn1cnc(C(=O)N2CC[C@H]3OCCN(CC#N)[C@H]3C2)cc1=O 1074268819 OROVIMMGODCWNJ-QWHCGFSZSA-N 317.349 -0.781 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)COc3cnn(C)c3)C[C@@H]21 1074321527 LQXINSCTKLPRBD-LSDHHAIUSA-N 318.377 -0.266 30 20 DBED C=CCOCC(=O)NCC[C@H](C)NC(=O)Cc1n[nH]c(C)n1 1075918022 SJFHIDHMCDZPKA-JTQLQIEISA-N 309.370 -0.131 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)c1ncc[nH]1 1076218972 NQODONLSBKVJGP-JTQLQIEISA-N 305.338 -0.826 30 20 DBED C#CCCCC(=O)NCC[C@H](C)NC(=O)C[C@@H]1NC(=O)NC1=O 1076303761 IGDPWGNBGZIMQA-QWRGUYRKSA-N 322.365 -0.601 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2c[nH]nc2-c2ccccn2)C1 1077110622 ZRBSXHGHMSFGTA-ZIAGYGMSSA-N 311.345 -0.120 30 20 DBED C=CCOc1cccnc1C(=O)N[C@@H]1CN(CC#N)C[C@H]1O 1077977797 PTHKSUGTJMGXGO-VXGBXAGGSA-N 302.334 -0.055 30 20 DBED C#CCCCCC(=O)NC1(CO)CCN(C(=O)CC(N)=O)CC1 1080823489 USZGZBNQJIBPNS-UHFFFAOYSA-N 323.393 -0.475 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)c2cccnn2)C[C@H]1O 1081440056 XLBIWDVWLGUHCK-GXTWGEPZSA-N 316.361 -0.171 30 20 DBED C=CCN1CC[C@H](N2C[C@H](O)[C@H](NC(=O)c3cnco3)C2)C1=O 1083681833 WBJFFIBNLBRAGR-WOPDTQHZSA-N 320.349 -0.764 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CN(CC[C@@H](C)F)C[C@@H]2O)nn1 1083843400 GCHQXOIYHCUGRG-WZRBSPASSA-N 311.361 -0.013 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)C2(N3CCOCC3)CCC2)C1 1083902189 FSWAMYQDRVGVJF-CABCVRRESA-N 321.421 -0.574 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2cn(C)cn2)C[C@H]1c1cnn(C)c1 1086975220 BFVMJQIFSMFFLL-UONOGXRCSA-N 312.377 -0.015 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CCN(Cc3cnon3)C[C@@H]2O)[nH]1 1090204991 YDKQRZWGEAMILL-YPMHNXCESA-N 316.321 -0.365 30 20 DBED C=CCN1CC[C@H](NC(=O)c2cnn(CCOC)c2)[C@@H](O)C1 1090765146 VIGHLYJORPXBIH-KBPBESRZSA-N 308.382 -0.120 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cccnc2N(C)C)[C@@H](O)C1 1090805515 NRWXSNDIGXGHKT-KBPBESRZSA-N 302.378 -0.054 30 20 DBED CS[C@H](C)C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1091066466 VYOXOVDQAPOCOA-BBBLOLIVSA-N 307.379 -0.235 30 20 DBED CO[C@@H](C)CC(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1091075185 WPRWEFYJKSTRAZ-WCQGTBRESA-N 305.338 -0.561 30 20 DBED N#Cc1cccnc1N[C@H]1C[C@H](CNC(=O)CNC(N)=O)C1 1091423508 ZRCKYVQTZXSEOQ-HOMQSWHASA-N 302.338 -0.072 30 20 DBED N#Cc1nc(=N[C@H]2C[C@H](CNC(=O)Cn3cncn3)C2)cc[nH]1 1091457718 SPCKFNHZGWRMTR-XYPYZODXSA-N 312.337 -0.631 30 20 DBED CC[C@@H]1[C@@H](NC(=O)CC(=O)NC)CCN1c1ccnc(C#N)n1 1091771817 ZQUGXSSTOXOMRX-WDEREUQCSA-N 316.365 -0.042 30 20 DBED C#CCN1C[C@@H]2CN(C(=O)c3cn(C)c(=O)cn3)C[C@]2(C)C1 1091868813 WPOGCSLOXQFSNC-WBMJQRKESA-N 300.362 -0.193 30 20 DBED CNC(=O)CC(=O)NC[C@@H]1CN(c2nccnc2C#N)C[C@H]1C 1092355568 ANNPIJQTUMUXQT-GHMZBOCLSA-N 316.365 -0.327 30 20 DBED CCC(=O)NCC(=O)N[C@H]1[C@@H]2CN(c3nccnc3C#N)C[C@@H]21 1093235106 OJAGZKUZIOFLDG-MSRIBSCDSA-N 314.349 -0.575 30 20 DBED N#Cc1c[nH]ccc1=NCCNC(=O)[C@@H]1CCS(=O)(=O)C1 1093979013 UVVKASREPMSRFK-SNVBAGLBSA-N 308.363 -0.662 30 20 DBED Cc1cc(=NCCNC(=O)[C@H]2CN(C)C[C@@H](C)O2)c(C#N)c[nH]1 1094227006 PCLRBIDYJSNWIE-IUODEOHRSA-N 317.393 -0.069 30 20 DBED C=CCN1CC(n2cc(CNC(=O)[C@@H]3COCCO3)nn2)C1 1094276395 NJLNVWNDAVMCKN-ZDUSSCGKSA-N 307.354 -0.648 30 20 DBED N#Cc1nccnc1NCCCNC(=O)C[C@@H]1CC(=O)NC1=O 1094485317 GHUAGOMANDJROI-SECBINFHSA-N 316.321 -0.681 30 20 DBED C#CCCN1CC(N2C[C@H](NC(=O)[C@@H]3CCCCO3)CC2=O)C1 1094722986 ZSGPPGFVPHMXKD-HIFRSBDPSA-N 319.405 -0.020 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)c3ncn(C)n3)CC2=O)C1 1094735325 KTJPRGGWUABVKL-JTQLQIEISA-N 304.354 -0.984 30 20 DBED C#CCCN1CC(N2C[C@H](NC(=O)c3[nH]cnc3C)CC2=O)C1 1094826193 CILAUCDLRZDHOC-GFCCVEGCSA-N 315.377 -0.244 30 20 DBED CN(C(=O)CNC(N)=O)C1CCN(c2cncc(C#N)n2)CC1 1096092963 HHFXVIAGRGYZRY-UHFFFAOYSA-N 317.353 -0.556 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@H](C)N=c1cc[nH]c(C(=O)OC)n1 1097793898 HBDMZQBYEGVMBP-MEBBXXQBSA-N 322.365 -0.071 30 20 DBED CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)Cn2c(O)nnc2O)C1 1099138924 RNRVPKFUCJUQKE-NHYWBVRUSA-N 319.365 -0.317 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)CCC(F)F)[C@@H](O)C1 1099922420 VUAYEPZGXXDFPB-MNOVXSKESA-N 317.336 -0.668 30 20 DBED C=C(C)C(C)(C)C(=O)N[C@H]1CCN(Cc2nnn(C)n2)C[C@H]1O 1099947552 XUEXSZSTVLPQLZ-NWDGAFQWSA-N 322.413 -0.136 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)c2c[nH]c(=O)cn2)[C@H](O)C1 1099966833 DBEGUXFNINNUEL-WCQYABFASA-N 322.365 -0.863 30 20 DBED CC#CCN1CC[C@H](NC(=O)C(=O)NCC(F)(F)F)[C@H](O)C1 1100053042 IUHRYBNFSHCHIT-VHSXEESVSA-N 321.299 -0.760 30 20 DBED COCCCn1cc(C(=O)N[C@@H]2CCN(CC#N)C[C@@H]2O)cn1 1100068808 BBTURPYUIFTHRF-KGLIPLIRSA-N 321.381 -0.392 30 20 DBED C#CCCN1CC[C@@H](NC(=O)C2(C(=O)N(C)C)CC2)[C@H](O)C1 1100072440 VQBIWZKPNJUWGE-CHWSQXEVSA-N 307.394 -0.571 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)c2cnnn2CC)C1 1100301256 ATVSGLRRVCOPGE-UHFFFAOYSA-N 318.381 -0.855 30 20 DBED Cc1cc(C#N)nc(N(C)CCNC(=O)CC(=O)N(C)C)n1 1100352542 DVPZYRPUVOYNNT-UHFFFAOYSA-N 304.354 -0.313 30 20 DBED C=C[C@](C)(O)CC(=O)NCCN(CC)c1nccn2nnnc12 1100503977 DWVKNSGFXFMQKG-AWEZNQCLSA-N 319.369 -0.211 30 20 DBED CCN(CCNC(=O)[C@H]1COC(=O)N1)c1cncc(C#N)n1 1100511445 ZJTMFHSFQUHXEY-SNVBAGLBSA-N 304.310 -0.601 30 20 DBED CCN(CCNC(=O)[C@@H]1CN(C)C(=O)N1)c1ncccc1C#N 1100695838 BKKRSEJXGFQVMU-LBPRGKRZSA-N 316.365 -0.081 30 20 DBED CCN(CCNC(=O)[C@H](COC)OC)c1ccc(C#N)nn1 1100711932 HPENJGFUUNBJMP-LBPRGKRZSA-N 307.354 -0.048 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)c2ccnc(C)n2)C1 1100991149 SFKBTNDQECSZAT-UHFFFAOYSA-N 315.377 -0.368 30 20 DBED CCCN(CCNC(=O)[C@H]1C[C@H]1C(N)=O)c1ccc(C#N)nn1 1101240543 NQULKMAGVNKTJN-NEPJUHHUSA-N 316.365 -0.198 30 20 DBED C#CCCCC(=O)N[C@H]1CC2(CN(CC(N)=O)C2)n2ccnc21 1101625723 LQGGZDQTVCNKAJ-LBPRGKRZSA-N 315.377 -0.256 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)c2cc(C)[nH]n2)C1 1101766662 QLIUTAJOIQYFFS-DGCLKSJQSA-N 317.393 -0.235 30 20 DBED C[C@H](C(=O)N(C)CCNc1ccc(C#N)nn1)S(C)(=O)=O 1102032677 UNBHDQCZDNZWJT-SECBINFHSA-N 311.367 -0.348 30 20 DBED CC(=O)NCC(=O)NCC[C@@H]1CCN(c2ccc(C#N)nn2)C1 1102268578 MJABFLOBSIAILY-GFCCVEGCSA-N 316.365 -0.183 30 20 DBED CC[C@@H](CNC(=O)Cn1cnnc1O)Nc1cncc(C#N)n1 1103066333 VCXHHGLNEIZOQE-VIFPVBQESA-N 316.325 -0.348 30 20 DBED CC[C@@H](CNC(=O)[C@H]1CCNC1=O)Nc1cnc(C#N)cn1 1103259735 RRCBDZVZUSVCSP-ONGXEEELSA-N 302.338 -0.209 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CCN(C)C1=O)CNc1nccnc1C#N 1104159250 NAVDNAITRJNTAW-MNOVXSKESA-N 316.365 -0.009 30 20 DBED C[C@@H](CNC(=O)c1nnn(C)n1)CNc1cnc(C#N)cn1 1104181499 CYVPKMCVMYNVOK-MRVPVSSYSA-N 301.314 -0.650 30 20 DBED CC(C)(C)C#CC(=O)N1CC(n2cc(CNCCO)nn2)C1 1105238240 RGDZFIDNBJQCMQ-UHFFFAOYSA-N 305.382 -0.207 30 20 DBED COC[C@H](OC)C(=O)NC[C@@H](N=c1cc[nH]c(C#N)n1)C(C)C 1105282385 FEONFJWLNVESDX-NEPJUHHUSA-N 321.381 -0.016 30 20 DBED CC(=O)N[C@H](C)C(=O)N(C)CCN(C)c1cncc(C#N)n1 1105319542 PLEBRRSBRZSJEA-SNVBAGLBSA-N 304.354 -0.233 30 20 DBED N#Cc1nc(=NC[C@@H](O)CNC(=O)C2CCC(O)CC2)cc[nH]1 1105804006 JDWXQYMKMXBLFT-HTAVTVPLSA-N 319.365 -0.790 30 20 DBED N#Cc1cnc(NC[C@H](O)CNC(=O)[C@H]2CCCCO2)cn1 1105819771 LIGFOBZFKHEQIX-NWDGAFQWSA-N 305.338 -0.194 30 20 DBED Cc1c[nH]nc1C(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1 1105825900 SZUKRMIVRARQCQ-SECBINFHSA-N 301.310 -0.996 30 20 DBED C#CCCCC(=O)NCc1cn(C2CN(C[C@H](C)O)C2)nn1 1107164452 BQQNFJRNOXWVJX-LBPRGKRZSA-N 305.382 -0.065 30 20 DBED CC[C@H](C(=O)NCc1cn(C2CN(CC#N)C2)nn1)N(C)C 1107181776 HMSYFXTWIVWLOT-CYBMUJFWSA-N 305.386 -0.385 30 20 DBED N#Cc1nccnc1NC/C=C\CNC(=O)C(=O)NCC1CC1 1107309696 LEGAMLVYFJXXQF-UPHRSURJSA-N 314.349 -0.041 30 20 DBED C[C@H](CNc1nccnc1C#N)NC(=O)C[C@@H]1CC(=O)NC1=O 1107825979 NAHNOYUAVTXKLV-RKDXNWHRSA-N 316.321 -0.682 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)[C@@H](CC(C)C)C(N)=O)C1 1108445885 VGZXOZWGBCZROC-XJKSGUPXSA-N 309.410 -0.026 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)CN(C)C(C)=O)CC2=O)C1 1108510699 CGTQFDCHEZGESE-LBPRGKRZSA-N 308.382 -0.948 30 20 DBED Cc1cc(=NC[C@H](C)NC(=O)Cn2ncnn2)c(C#N)c[nH]1 1108540262 PDKOTSIBRISISI-JTQLQIEISA-N 300.326 -0.713 30 20 DBED C=CCC(C)(C)C(=O)N[C@H]1CC(=O)N(C2CN(CCO)C2)C1 1108574763 APMRECKBRRRNDE-LBPRGKRZSA-N 309.410 -0.018 30 20 DBED COCC#CCN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CNC(C)=O)C2 1108607059 VKIBVPKSQVRFFP-KKUMJFAQSA-N 307.394 -0.259 30 20 DBED C[C@@H](CN(C)c1ccnc(C#N)n1)NC(=O)CN1CCCC1=O 1108851192 VWYWCLMYPWQVKY-NSHDSACASA-N 316.365 -0.088 30 20 DBED C[C@@H](CN(C)c1ccncc1C#N)NC(=O)Cn1cnnn1 1108851443 YFTRWXNEFMSNPM-JTQLQIEISA-N 300.326 -0.419 30 20 DBED C[C@H](CN(C)c1ccnc(C#N)n1)NC(=O)[C@@H]1CN(C)C(=O)N1 1109194748 VIFQBYUWIZBCLG-ZJUUUORDSA-N 317.353 -0.687 30 20 DBED CNC(=O)NCC(=O)N[C@H](C)CN(C)c1ccc(C#N)nn1 1109287320 JZBYLCVKHQFBKZ-SECBINFHSA-N 305.342 -0.782 30 20 DBED COCCC(=O)N[C@@]1(CO)CCCN(c2cnc(C#N)cn2)C1 1111329906 OAHFGUZLCBMEHE-HNNXBMFYSA-N 319.365 -0.168 30 20 DBED N#Cc1cnc(NCCN(CCO)C(=O)C2=CCOCC2)cn1 1111457419 XXEJYXMMTOOPJR-UHFFFAOYSA-N 317.349 -0.072 30 20 DBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cn1ccnc1 1111501619 QJJRQNRAWDUGBE-UPJWGTAASA-N 316.365 -0.756 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCC[C@]2(NC(=O)COCC)C1 1111574554 IRLIWEYMMYINNP-BBRMVZONSA-N 307.394 -0.257 30 20 DBED CO[C@H](C)C(=O)NC[C@@H]1COCCN1c1cnc(C#N)cn1 1111656735 IQBUVNFZFIPVIB-ZYHUDNBSSA-N 305.338 -0.295 30 20 DBED C[C@H](NC(=O)Cn1cnnn1)[C@H](C)Nc1cncc(C#N)n1 1112904934 FTGQCKCVKKQEHJ-IUCAKERBSA-N 301.314 -0.660 30 20 DBED C=CCOCCN1CCN(C(=O)CCNC(=O)COC)CC1 1112921237 RDHKAAUZIOZSDX-UHFFFAOYSA-N 313.398 -0.514 30 20 DBED CCNC(=O)CC(=O)N[C@@H](C)[C@@H](C)N=c1cc[nH]c(C#N)n1 1112977423 ANHDONNCQRXOQQ-ZJUUUORDSA-N 304.354 -0.399 30 20 DBED CCN(CCC#N)C(=O)CN1CCN(C(=O)c2cnn[nH]2)CC1 1113062266 SCGVYPNEGMJACM-UHFFFAOYSA-N 319.369 -0.675 30 20 DBED C=CCN1CC[C@H](N2CCN(C(=O)CCCC(N)=O)CC2)C1=O 1113731472 KYSDJUTXHVHNDS-ZDUSSCGKSA-N 322.409 -0.427 30 20 DBED C[C@@H](CNC(=O)C1(C(N)=O)CC1)N(C)c1ccc(C#N)nn1 1113845874 STDVBEIDOVCQQD-VIFPVBQESA-N 302.338 -0.445 30 20 DBED C=C[C@](C)(O)CC(=O)NC1[C@@H]2CN(Cc3nnn(C)n3)C[C@@H]12 1114194842 WNZGQBDLGCEWGN-RULNRJAQSA-N 306.370 -0.916 30 20 DBED CC(=O)NCCOCCN1C[C@H]2[C@H](NC(=O)C#CC(C)C)[C@H]2C1 1114247172 GGIHZUBDXJTSCC-QLPKVWCKSA-N 321.421 -0.155 30 20 DBED CC#CCN1C[C@H]2C(NC(=O)CCCn3c(O)nnc3O)[C@@H]2C1 1114494153 UDHVKDHAUSBISW-GHMZBOCLSA-N 319.365 -0.461 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3ccnnc3C)[C@H]2C1 1114523418 ASLPPYNHGNCLDL-STQMWFEESA-N 313.361 -0.806 30 20 DBED C=CCCCC(=O)NC1[C@H]2CN(CC(=O)NC(=O)NC)C[C@H]12 1114755796 QPPONCUIAWQFFK-QWRGUYRKSA-N 308.382 -0.155 30 20 DBED CNC(=O)CC(=O)N(C)[C@H](CN=c1cc[nH]c(C#N)n1)C1CC1 1115509428 DPTIYHJSJPCICF-LLVKDONJSA-N 316.365 -0.445 30 20 DBED C#C[C@H](NC(=O)C(=O)Nc1cnn(CC(=O)N(C)C)c1)C(C)C 1116922165 NKHDWMDAABJXRV-LBPRGKRZSA-N 319.365 -0.316 30 20 DBED CN1C[C@H](NC(=O)C(=O)NCc2cc(C#N)ccc2F)CC1=O 1119736584 AUZWXBVJFGXARB-LLVKDONJSA-N 318.308 -0.340 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)[C@@H]2COCCO2)cn1 1121135587 FENKZDOPUJMFFN-STQMWFEESA-N 306.322 -0.742 30 20 DBED COCC[C@H](C)C(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1 1121606457 DQPJRIWYHXZSSO-WDEREUQCSA-N 307.354 -0.668 30 20 DBED CC(=O)NCC(=O)N1C[C@H](N=c2cc[nH]cc2C#N)C[C@H]1C 1123122551 RZIMLJLLSZVKDN-ZWNOBZJWSA-N 301.350 -0.087 30 20 DBED CNC(=O)CC(=O)N[C@H]1CC[C@H](CN=c2cc[nH]c(C#N)n2)C1 1123769665 JPQKOUMKCCRXAQ-QWRGUYRKSA-N 316.365 -0.397 30 20 DBED COC(=O)NCC(=O)N(C)C[C@@H](O)CNc1ccc(C#N)nc1 1124090337 GSTGGMUQQFVYQO-LBPRGKRZSA-N 321.337 -0.460 30 20 DBED C=CCO[C@@H](C)C(=O)N(C)C[C@H](O)CN=c1cc[nH]c(C#N)n1 1124385846 LBAPYVKVGKMQIT-NWDGAFQWSA-N 319.365 -0.408 30 20 DBED C#CCNC(=O)CC(=O)NCCNCc1ccnc(N(C)C)c1 1125977776 FXZAEFIADAOBGL-UHFFFAOYSA-N 317.393 -0.507 30 20 DBED COCCCNC(=O)CNCCNC(=O)c1c[nH]c(C#N)c1 1125987791 CYOBVSHNWWZHGD-UHFFFAOYSA-N 307.354 -0.642 30 20 DBED C#CCNC(=O)CC(=O)NCCN[C@@H](C)C(=O)NCCCC 1125998423 QVHDJQBVVRROJE-LBPRGKRZSA-N 310.398 -0.864 30 20 DBED C#CCO[C@H](C)C(=O)NCCNCc1nc(CCOC)no1 1127039106 BZQLVCZDOKJCCR-LLVKDONJSA-N 310.354 -0.497 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)[C@H](C)NC(=O)CC)C1=O 1127945856 CUQQTBZTURVGAL-NWDGAFQWSA-N 310.398 -0.606 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CCc2nnc(CNCCO)n2CC1 1127965349 SMFRSVQDEBLBEG-WDEREUQCSA-N 306.370 -0.659 30 20 DBED C#CCCN[C@@H]1CN(C(=O)c2cnn[nH]2)C[C@@H]1n1ccnn1 1129923703 RHVLGCIIAHCXJY-NEPJUHHUSA-N 300.326 -0.925 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1Cc2ccccc2O1 1131021422 GTHBBLNTMIESTM-WFASDCNBSA-N 315.373 -0.166 30 20 DBED COCC#CCN1CCNC(=O)CCN(C(=O)[C@@H]2C[C@H]2C)CC1 1131323174 SICMAPSJHNISJT-HUUCEWRRSA-N 321.421 -0.057 30 20 DBED C[C@@H]1CC[C@@H](NC(=O)c2cnnn2C)CN1CC(=O)NCC#N 1132005763 CAMVRAASXFAYJS-GHMZBOCLSA-N 319.369 -0.962 30 20 DBED C#CCNC[C@@H]1CN(C(=O)CS(=O)(=O)N(C)C)CC[C@@H]1C 1133274062 ARFXEIWVZVLDJS-QWHCGFSZSA-N 315.439 -0.415 30 20 DBED C[C@H](C[C@@H](C)NC(=O)CN1CCCC1=O)NCC(=O)NCC#N 1133633096 NKFIIQIFQBCFNM-VXGBXAGGSA-N 323.397 -0.879 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)CN(C)C(C)=O 1133741413 NPPBSARFLJTXJX-NEPJUHHUSA-N 310.398 -0.913 30 20 DBED C#CCCN[C@H](C)C[C@@H](C)NC(=O)CCCS(N)(=O)=O 1135326182 TXGVSEZLMABKPO-VXGBXAGGSA-N 303.428 -0.049 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)c2coc(COC)n2)C1=O 1136033456 JXHGCZYBESNFJX-LLVKDONJSA-N 322.365 -0.073 30 20 DBED COCC#CCN1CCC2(C1)CN(C(=O)[C@@H]1CCN(C)C1=O)C2 1148096193 XMYSCCCUWHKFGO-CQSZACIVSA-N 319.405 -0.351 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1ccc2nn[nH]c2c1 1150703467 MLGRNKJKKYKZOU-UHFFFAOYSA-N 302.338 -0.421 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)[C@@H](C)CN2CCOCC2)C1 1150725842 WKUKJVUUOFVYGZ-JKSUJKDBSA-N 323.437 -0.205 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1nc(C)c(C)nc1C 1162198533 FEUPBUAIECHCBB-UHFFFAOYSA-N 317.393 -0.139 30 20 DBED CC#CCN1CCC(CNC(=O)[C@H]2CCNC2=O)(COC)CC1 1162392925 QZHZGBFQHYWBFM-AWEZNQCLSA-N 321.421 -0.009 30 20 DBED C#CCNC(=O)CC(=O)NCCC1(CN[C@@H](CC)C(N)=O)CC1 1164183002 SNICKIBZAQGMIS-LBPRGKRZSA-N 322.409 -0.734 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@@H]1C[C@H]1c1cncn1C 1166960981 LXFICTYLHQIPLN-CHWSQXEVSA-N 319.409 -0.078 30 20 DBED C=CCNCC1(CCNC(=O)c2cn(C)c(=O)n(C)c2=O)CC1 1167370352 LRDVMTVVNDSRGH-UHFFFAOYSA-N 320.393 -0.240 30 20 DBED C=CCn1cc(C(=O)NCCCNCc2cnn(C)n2)nn1 1167839188 WIQDUYGYKVAKAF-UHFFFAOYSA-N 304.358 -0.498 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)CCCC(=O)N(C)C 1171459063 IFCWMQCZJWXQTF-CYBMUJFWSA-N 324.425 -0.521 30 20 DBED C#CCNC(=O)CN1CCO[C@@H]2CCN(C(=O)CC3CC3)C[C@@H]21 1176882929 VXJWISKHEBVTBE-LSDHHAIUSA-N 319.405 -0.162 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)NCCCN[C@@H](C)C(N)=O 1176966731 IMTUUJHOPNYXBE-JTQLQIEISA-N 313.402 -0.780 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)c1cc(CC)n(C)n1 1177501241 LZVIHRSWRJPHLZ-LBPRGKRZSA-N 319.409 -0.170 30 20 DBED N#CCNC(=O)CNCCCCCCNC(=O)Cc1cc[nH]n1 1178093196 SZTOAIZQUFRQOO-UHFFFAOYSA-N 320.397 -0.142 30 20 DBED C=CCNCCCCCCNC(=O)Cn1cnc(C(N)=O)n1 1178521705 BWEPDVIUXPIPMX-UHFFFAOYSA-N 308.386 -0.171 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)c2ncn(C)n2)[C@H]1C 1178632041 BPUPVHUGGARUCL-SRVKXCTJSA-N 318.381 -0.854 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)c2cnn(C)n2)[C@H]1C 1179710587 SZNUTCQBCBXHMB-QWRGUYRKSA-N 306.370 -0.690 30 20 DBED C[C@@H]1CN(C(=O)[C@H]2CCCO2)C[C@@]1(C)CNCC(=O)NCC#N 1180495573 GAUWHNSWYQAJDB-XJKCOSOUSA-N 322.409 -0.121 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2cnc(C)cn2)C1 1180756284 FEHRSXUZEOBIDX-CHWSQXEVSA-N 315.377 -0.273 30 20 DBED CCO[C@H](C(=O)N1CC[C@@H](NCC(=O)NCC#N)C1)C1CC1 1182631627 SLBUUFCUALOFRV-OCCSQVGLSA-N 308.382 -0.368 30 20 DBED C#CCNC[C@]1(C)CN(C(=O)c2nccnc2C(N)=O)C[C@H]1C 1183356020 CBLZYXMKTUVTIG-BDJLRTHQSA-N 315.377 -0.104 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)c2ccnc(OC)n2)C1 1184154864 GAFFFDAFPCSJJJ-GFCCVEGCSA-N 304.350 -0.061 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CN(Cc2nc(CC3CC3)no2)C[C@H]1O 1191872799 PEEUCFYVAKDBTQ-MVWJERBFSA-N 319.365 -0.157 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2cnn(C)c2)C[C@H]1O 1192844378 QQJUQNRXSBHMDS-IACUBPJLSA-N 306.366 -0.880 30 20 DBED Cn1ncnc1CN1C[C@@H](O)[C@H](NC(=O)C#CC(C)(C)C)C1 1192870659 FVAFYWUCHAGYOZ-VXGBXAGGSA-N 305.382 -0.474 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)CNC(=O)c2ccoc2C)C1 1193190567 HPCOCZZSGFHUPJ-CHWSQXEVSA-N 305.334 -0.888 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)Cc2[nH]cnc2C)C1 1198133729 JHGPSSUMQJPOIZ-ZIAGYGMSSA-N 308.382 -0.375 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)CS(=O)(=O)CCCC)C1 1199136147 NQHZEJGQSVCBHV-CHWSQXEVSA-N 316.423 -0.614 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)Cn2cccn2)CC1 1199305818 YYIBPLCTAMXSLV-UHFFFAOYSA-N 303.366 -0.787 30 20 DBED C#CCNC(=O)CC(=O)N1CCCO[C@@H](CNCC#CC)C1 1200329175 HAJXQYXHVMEQOH-AWEZNQCLSA-N 305.378 -0.644 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CCN(C(=O)c2cnnn2C)CC1 1200349136 JNIPFJJFNJDOGQ-LLVKDONJSA-N 318.381 -0.853 30 20 DBED C#CCNC[C@H]1CN(C(=O)CNC(=O)[C@@H](C)CC)CCCO1 1202088824 XWGGMQLNQFJPJA-KBPBESRZSA-N 309.410 -0.011 30 20 DBED C=CCN1C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)CC)[C@H](C)C1 1207037998 ZDGKGQGEFSVHJT-GRYCIOLGSA-N 303.428 -0.063 30 20 DBED C#CCCN[C@@H]1CCCN(C(=O)CN(C)S(=O)(=O)CC)C1 1210406757 CWLYFMWLHRGBAX-CYBMUJFWSA-N 315.439 -0.128 30 20 DBED COCC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@]12COC[C@@H]1C2 1217953997 LAEWCYTXNUROCN-MPTYRVRUSA-N 320.389 -0.416 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)CC2CCC2)C1 1219415697 DRPKDIPLFBSHAB-YUTCNCBUSA-N 307.394 -0.524 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)CCNC(=O)NC)C1 1219565135 SDPVHJFWOGMFKT-ZJUUUORDSA-N 304.778 -0.781 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2nnc(CC)o2)C[C@@H]1O 1219613312 DUJQODDPKRWQGJ-NEPJUHHUSA-N 322.365 -0.667 30 20 DBED C=C(Cl)C(C)(C)C(=O)N[C@@H]1CN(CC(=O)NC)C[C@@H]1O 1219702355 JIDHPDNFWNAIFM-ZJUUUORDSA-N 303.790 -0.328 30 20 DBED C=C[C@@](C)(CCOC)C(=O)N[C@@H]1CN(CC(=O)NC)C[C@@H]1O 1220079807 AXGCVWXDWDLEHG-XUJVJEKNSA-N 313.398 -0.878 30 20 DBED C=CCOCCN1CC[C@@H]2CN(C(=O)[C@@H]3CN(C)C(=O)N3)[C@@H]2C1 1221731564 JYVXFRXGOBNAEI-HZSPNIEDSA-N 322.409 -0.255 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)Cn2ccnc2)C1 1222098445 MWRYXTNUCMHENA-ZDUSSCGKSA-N 305.382 -0.234 30 20 DBED CCO[C@H]1C[C@@H]1C(=O)NCC1CCN(CC(=O)NCC#N)CC1 1222477318 RQBOXRBKAXVAKW-KBPBESRZSA-N 322.409 -0.121 30 20 DBED C=CCOCC(=O)NCC1CCN([C@@H]2CCC(=O)NC2=O)CC1 1222636974 VNUUNEGMJLCJNH-CYBMUJFWSA-N 323.393 -0.178 30 20 DBED C=CCN1CCS(=O)(=O)[C@H](CCNC(=O)CCN(C)C)C1 1230495198 YGEGHOPVRKAIBF-CYBMUJFWSA-N 317.455 -0.271 30 20 DBED C#CCN1CCS(=O)(=O)[C@H](CCNC(=O)C2(CF)CC2)C1 1230497924 RJPVFKZLOPLEPT-GFCCVEGCSA-N 316.398 -0.025 30 20 DBED C#CCN(C)CCCNC(=O)Cn1nc2n(c1=O)CCCCC2 1261251317 STKMPMBAEJPSKA-UHFFFAOYSA-N 319.409 -0.158 30 20 DBED C=C[C@H](COC)NS(=O)(=O)N1CCC2(CC1)OCCO2 1320295017 TZUSKQQWEWVEJC-LLVKDONJSA-N 306.384 -0.139 30 20 DBED O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CC(=O)N(C2CC2)C1 1326781434 KTMMIARUNSFIFG-CCEZHUSRSA-N 318.333 -0.306 30 20 DBED CCn1nc(C)c(CNC(=O)C(=O)N2CC[C@](O)(CC#N)C2)n1 1328331480 CYIDLLOLYXOLCJ-CQSZACIVSA-N 320.353 -0.900 30 20 DBED N#C[C@]1(F)CCN(C(=O)C(=O)N[C@H]2CCn3ccnc3C2)C1 1347086460 URIMVZWGRFNGDT-IINYFYTJSA-N 305.313 -0.222 30 20 DBED C#CCNCC(=O)N1CCC(NC(=O)c2cc(C)on2)CC1 1357215048 RVONODQOMJJMRG-UHFFFAOYSA-N 304.350 -0.073 30 20 DBED CC(=O)N1CCC(NC(=O)Cn2ccc(C#N)cc2=O)CC1 1364618851 ZQDVMOYRAKFDME-UHFFFAOYSA-N 302.334 -0.153 30 20 DBED C[C@H](CNC(=O)CNC(=O)c1ccncc1)NC(=O)[C@H](C)C#N 1377281410 YKWFCASMVXFSMS-GHMZBOCLSA-N 317.349 -0.408 30 20 DBED CCCN(CCNC(=O)[C@H](C)C#N)CC(=O)NC(=O)NCC 1377478222 UOBLJFBAPPOVFT-LLVKDONJSA-N 311.386 -0.180 30 20 DBED CC(=O)NC1(C(=O)NC2CN(C(=O)[C@H](C)C#N)C2)CCCC1 1387777348 VWFXSCGHFMBWLI-SNVBAGLBSA-N 306.366 -0.078 30 20 DBED N#Cc1ccc(C(=O)NC[C@@H](O)CNC(=O)c2ccncc2)[nH]1 1389048319 ULFQSLLVDCKLHU-LBPRGKRZSA-N 313.317 -0.198 30 20 DBED Cc1onc(CC(=O)N2CCC(OCC(N)=O)CC2)c1C#N 1412601215 ZZZCVMOQZBJVLM-UHFFFAOYSA-N 306.322 -0.110 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)Cn1cc(Cl)cn1 1416757060 JCPALKOXWOEJDA-PSASIEDQSA-N 313.745 -0.711 30 20 DBED CC(=O)NCC(=O)NC[C@@H](C)CNC(=O)c1cc(C#N)c[nH]1 1430953086 HBCYIRSIFUGRHN-SECBINFHSA-N 305.338 -0.495 30 20 DBED COCc1nn(C)cc1C(=O)N1CC(NC(=O)[C@@H](C)C#N)C1 1432336703 HBPSRBLPLYQHKW-VIFPVBQESA-N 305.338 -0.333 30 20 DBED C[C@H](C#N)C(=O)NC[C@](C)(NC(=O)c1c[nH]c(=O)cn1)C1CC1 1432891943 ZUUTZIFANPCSFK-PSLIRLAXSA-N 317.349 -0.056 30 20 DBED CNC(=O)NCCC(=O)NC[C@@H](NC(=O)[C@@H](C)C#N)C(C)C 1433093530 OOVXZMXLIOAVEW-WDEREUQCSA-N 311.386 -0.278 30 20 DBED C[C@H](Cc1cccnc1)NC(=O)Cn1cc(C#N)c(O)nc1=O 1434412473 YUVXDDNCCREVQU-SNVBAGLBSA-N 313.317 -0.037 30 20 DBED CCN1CC[C@H](N(CCNC(=O)[C@@H](C)C#N)CCOC)C1=O 1442174148 PMXQGSYERFRDHV-STQMWFEESA-N 310.398 -0.169 30 20 DBED C=C(Cl)CNC[C@H](O)CNC(=O)[C@@H]1CCN(C)C(=O)C1 1445218978 YEEXCZMWRPBGCY-MNOVXSKESA-N 303.790 -0.326 30 20 DBED CO[C@@H]1C[C@@H](NC(=O)Cn2cc(C#N)c(O)nc2=O)C12CCC2 1451110060 UOAHXCMDKLBKOG-GHMZBOCLSA-N 318.333 -0.106 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)C2(NC(N)=O)CC2)CCCC1 1457035307 IRMKXMASCRATHH-SNVBAGLBSA-N 321.381 -0.108 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)C[C@@H](C)n2ccnc2)C1 1490843211 KDQIOFJVPSXNTP-KGLIPLIRSA-N 317.393 -0.226 30 20 DBED CC(=O)NCC(=O)N1CC[C@@H](N(C)C(=O)c2ccc(C#N)[nH]2)C1 1491914178 OVIZXPQFQAJYRY-GFCCVEGCSA-N 317.349 -0.305 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCNC(=O)[C@@H]1CCc2nncn2C1 1528262591 PSYMNRVPRLEFSJ-WDEREUQCSA-N 304.354 -0.425 30 20 DBED COc1ccccc1CC(=O)NC[C@@H](O)CNC(=O)[C@@H](C)C#N 1533320187 JKRAYMCOOJWAOM-WCQYABFASA-N 319.361 -0.009 30 20 DBED C[C@@H]1CN2CCN1C[C@@H]2C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1548647059 ZUYXKTLXBYJJOQ-BPLDGKMQSA-N 303.410 -0.427 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)[C@H]2CCCCN2C)C1 1566667001 WJAHOAKQQFGGCG-ZIAGYGMSSA-N 306.410 -0.589 30 20 DBED C#CCOCCC(=O)NCCNc1ccc(-c2nn[nH]n2)nc1 1588361408 MARFPGHNCDYKSW-UHFFFAOYSA-N 315.337 -0.170 30 20 DBED C#CCN(CC(=O)O)C(=O)[C@@H]1COCCN1CC(F)(F)F 1588399115 GPNALYACQMQZHL-VIFPVBQESA-N 308.256 -0.204 30 20 DBED C#CC[C@@H](NC(=O)C1CCC2(CC1)NC(=O)NC2=O)C(=O)O 1588405740 ISQWPGJFLJEYRG-ZYTOWTHASA-N 307.306 -0.653 30 20 DBED C#Cc1cncc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)O)c1 1588439053 HBZOPGMIRUYFRB-NSHDSACASA-N 308.315 -0.613 30 20 DBED C[C@](O)(CNC(=O)C(=O)Nc1cccc(CC#N)c1)C(=O)O 1589137830 CPWISMNEPLHWQY-AWEZNQCLSA-N 305.290 -0.357 30 20 DBED CC(C)C#CC(=O)NCCN(C)c1nccnc1-c1nn[nH]n1 1589390045 YRQVERBIKNNQIS-UHFFFAOYSA-N 314.353 -0.132 30 20 DBED Cc1c(C#N)c(NC(=O)[C@@H]2CCCN(CC(=O)O)C2=O)nn1C 1594253060 MSWXOKDDJCSDNY-VIFPVBQESA-N 319.321 -0.138 30 20 DBED N#Cc1ccc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)O)cc1O 1594617786 LMGDYRGGGSOHCN-JTQLQIEISA-N 324.314 -0.412 30 20 DBED Cc1onc(CC(=O)N2CCC[C@@H]2C(=O)NCC(=O)O)c1C#N 1600863369 YLDFUOYUMJNIBC-LLVKDONJSA-N 320.305 -0.411 30 20 DBED C#CCN(CC(=O)O)c1nnc([C@H]2CNC(=O)C2)n1CC1CC1 1602701073 UTPZSGLAKAMFOZ-LLVKDONJSA-N 317.349 -0.184 30 20 DBED C=CCCO[C@H](C)C(=O)NC[C@]1(C(=O)O)C[C@@H]1S(C)(=O)=O 1602881028 HVHYDNLYNMINHH-GBIKHYSHSA-N 319.379 -0.028 30 20 DBED CN(C)[S@@](C)(=O)=NC(=O)Cn1cnc(-c2nn[nH]n2)c1C#N 1604695093 UUDVDIUSTJKZFA-QFIPXVFZSA-N 323.342 -0.964 30 20 DBED N#Cc1cccc(-c2nn[nH]n2)c1N1CC[C@@H](CO)[C@@H](O)C1 1609499465 RIZAFCIXDGYRBN-JQWIXIFHSA-N 300.322 -0.082 30 20 DBED N#CCC1(O)CN(S(=O)(=O)CC2(C(=O)O)CCCC2)C1 1610620580 JJTOJLWTYDRXHX-UHFFFAOYSA-N 302.352 -0.078 30 20 DBED N#Cc1cncc(S(=O)(=O)N2CCC[C@@H](O)[C@@H]2C(=O)O)c1 1610633346 IDUVNVJVEPNMJP-GHMZBOCLSA-N 311.319 -0.448 30 20 DBED COCCn1cc(NC(=O)Cn2cnc(C#N)n2)ccc1=O 1649724701 FULYLWMANKXAJP-UHFFFAOYSA-N 302.294 -0.403 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)[C@H](NC(C)=O)C(C)C)C1 1690108804 SLVWRABEHGYZLO-DZGCQCFKSA-N 324.425 -0.360 30 20 DBED COCCN1C[C@@H](C(=O)N2CC[C@@H](CNCC#N)C2)CC1=O 1752938320 PESXSTWCCJCKTD-STQMWFEESA-N 308.382 -0.557 30 20 DBED C=CCN1CC[C@@H](N(C)CCNC(=O)c2ccnn2C)C1=O 1753045370 PUGSKHQOPUIMTE-CYBMUJFWSA-N 305.382 -0.131 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCN(C)[C@@H]1CCCN(C)C1=O 1753051491 FHEWIIZAXYDLPC-LSDHHAIUSA-N 320.437 -0.247 30 20 DBED COCC#CCN1CC[C@@H](CNC(=O)CS(C)(=O)=O)C1 1753122434 KBZSZVRVLKTPFP-LBPRGKRZSA-N 302.396 -0.881 30 20 DBED CCn1cc(C(=O)NC2CN(CC(=O)NCC#N)C2)c(C)n1 1753388421 DAOFVVBMLXDYDA-UHFFFAOYSA-N 304.354 -0.735 30 20 DBED C=CCOCCN1CC[C@@H]2CN(C(=O)Cn3ncnn3)CC[C@@H]21 1753872943 QATLCWGKDFJYKR-KGLIPLIRSA-N 320.397 -0.202 30 20 DBED C#CCNC(=O)CNC[C@H]1CCC[C@H]1NC(=O)c1ccncn1 1753900025 ROLSKJMVJAXRJY-CHWSQXEVSA-N 315.377 -0.286 30 20 DBED CCC(CC)NC(=O)CNC[C@@H](O)CNC(=O)C#CC1CC1 1753911100 KVFSMNHFOLXQBZ-CQSZACIVSA-N 309.410 -0.229 30 20 DBED C=CCNC(=O)CNCCN(CC)C(=O)[C@@H]1CCNC(=O)CC1 1754059430 YDZNPNLZUZYASB-ZDUSSCGKSA-N 324.425 -0.357 30 20 DBED C#CCNC(=O)[C@H](C)NC/C=C\CNC(=O)c1ccnnc1 1754174868 CVAJWOGUNYXVCY-RXNFCKPNSA-N 301.350 -0.510 30 20 DBED COCC#CCNC/C=C/CNC(=O)[C@H]1CCc2nncn2C1 1754210077 QJNUOWGQFMMGCE-HSWBROFVSA-N 317.393 -0.248 30 20 DBED C#CCNC(=O)CNCCCN(C)C(=O)C1(C(=O)NC)CCC1 1754408493 MZYSCXYESUQRCP-UHFFFAOYSA-N 322.409 -0.910 30 20 DBED C#CCNC(=O)CNC[C@@]1(C)CCN(C(=O)c2ccncn2)C1 1754707826 CUMXUGXRRRIHPW-MRXNPFEDSA-N 315.377 -0.332 30 20 DBED C#CCCCC(=O)NC[C@@]1(O)CCN(Cc2nncn2C)C1 1754748793 MVGUTRXPKQQOKD-HNNXBMFYSA-N 305.382 -0.328 30 20 DBED CC(C)(C)C#CC(=O)NC[C@]1(O)CCN(CC(=O)N2CCC2)C1 1754751002 CSIDFEBCLHGPRT-QGZVFWFLSA-N 321.421 -0.179 30 20 DBED C#CCCN1CC(O)(CNC(=O)CNC(=O)CC2CCCC2)C1 1754776286 SPRGKWAZQQBVKE-UHFFFAOYSA-N 321.421 -0.131 30 20 DBED C#CCNC[C@H]1CN(C(=O)[C@@H]2CCCc3nn[nH]c32)CCO1 1755011155 SFWWYXXGHJGNSU-NWDGAFQWSA-N 303.366 -0.325 30 20 DBED CO[C@H](C(=O)N[C@H](C)C1CN(CC(=O)NCC#N)C1)C1CC1 1755373559 KDIFFEWMLNBEDM-YGRLFVJLSA-N 308.382 -0.512 30 20 DBED COCC#CCN1C[C@H]2[C@H](CNC(=O)[C@H]3CCNC3=O)[C@H]2C1 1755426987 XDASREKPTXDUEC-XDQVBPFNSA-N 305.378 -0.934 30 20 DBED C#CCNCCC[C@@H](C)NC(=O)C[C@]1(C)CCS(=O)(=O)N1 1755522417 NKZNGUXECVCOPQ-OCCSQVGLSA-N 315.439 -0.034 30 20 DBED COCC#CCN[C@@H](CO)CNC(=O)c1cnn(C2CCC2)c1 1755627776 LOLBWCQLCFTUAZ-CQSZACIVSA-N 320.393 -0.062 30 20 DBED C=CCOCC(=O)NC[C@H](CO)NC(=O)[C@@H](C)C(F)(F)F 1756519725 UEMWMDFTIQCJCL-RKDXNWHRSA-N 312.288 -0.019 30 20 DBED C#CCOCCC(=O)NC[C@@H](CO)NC(=O)c1nccs1 1756521373 PAOHVIMCVDNAEV-JTQLQIEISA-N 311.363 -0.610 30 20 DBED C=CCOCC(=O)N1CCC2(C1)CN(C(=O)c1nnn(C)n1)C2 1756837632 SAZMLTCPMCALPM-UHFFFAOYSA-N 320.353 -0.913 30 20 DBED C[C@@H](OC(=O)CN1CCC(=O)NC1=O)C(=O)N(C)CCC#N 1771603381 CPMWOQWJFDWDMF-SECBINFHSA-N 310.310 -0.768 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](C)N(C)CC)CCO2 1783053916 ADHLCASKKHIIKR-XJKSGUPXSA-N 307.394 -0.210 30 20 DBED N#CCC(=O)N1CC2(CCCN2C(=O)c2cc(O)nc(O)n2)C1 1843357396 ZVDYXCQMPLXKRZ-UHFFFAOYSA-N 317.305 -0.382 30 20 DBED C#CCCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CNC(=O)O1 1847852330 DXNCUIQPHLKWON-SRVKXCTJSA-N 305.334 -0.290 30 20 DBED C=CCNc1ncc(C(=O)N2CCN(CC(N)=O)CC2)s1 178536084 TUHNIALFZBMPDL-UHFFFAOYSA-N 309.395 -0.016 30 20 DBED C=CCCOCCNC(=O)CNS(=O)(=O)CCOCC 270172001 DXRYYTKVCUCMBO-UHFFFAOYSA-N 308.400 -0.349 30 20 DBED CC[C@H](C#N)NC(=O)[C@H](C)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 270253378 GFHXTFAZECKVHQ-HDYISPSHSA-N 305.334 -0.044 30 20 DBED C=CCN(C(=O)[C@H](C)NC(=O)OC)[C@@H]1CCS(=O)(=O)C1 270505638 ZPIOBSVDWBFMNW-VHSXEESVSA-N 304.368 -0.067 30 20 DBED C=CCCCC(=O)N1CCN(S(=O)(=O)c2nnc[nH]2)CC1 274443356 IMHSTJKUZPKUJU-UHFFFAOYSA-N 313.383 -0.006 30 20 DBED CN(CC(N)=O)c1cc(N(C)CC(N)=O)c([N+](=O)[O-])cc1C#N 283663709 WDQRYSODGKAKLG-UHFFFAOYSA-N 320.309 -0.691 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCc2cc(C)ccn2)C1=O 294366039 XIJBDHHZEIAQIK-UHFFFAOYSA-N 316.317 -0.017 30 20 DBED CCN1CCN(CC(O)=Nc2cnc(N(C)C)nc2)C(=O)C1=O 328647896 HUJMFGHBQHKQLF-UHFFFAOYSA-N 320.353 -0.179 30 20 DBED C[C@@H](C/N=C(/O)CN1CCCS1(=O)=O)CN1CCOCC1 329662375 JBLQNDFJEHDULT-LBPRGKRZSA-N 319.427 -0.053 30 20 DBED O=S1(=O)CCCN1C/C(O)=N/CCN1CCCOCC1 329995462 NFMUDKOJZYGTST-UHFFFAOYSA-N 305.400 -0.299 30 20 DBED CN1CCC[C@H]1C(=O)N1CCN(/C(O)=N/[C@@H]2[C@H]3COC[C@H]32)CC1 330025267 KJBHKHXRNUUKNI-RFQIPJPRSA-N 322.409 -0.216 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)NCCN1CCOCC1 330371265 IFMHVDYOKXIDDD-LBPRGKRZSA-N 304.416 -0.365 30 20 DBED Cc1cccc(S(=O)(=O)N[C@H]2CC(=O)N(C)C2=O)c1C#N 330481600 RRJMSNSOIMPATH-JTQLQIEISA-N 307.331 -0.098 30 20 DBED C[C@H](CN1CCOCC1)C(=O)N(C)CC/N=C(/O)N(C)C 330662090 PEAMLEALZCOHDL-GFCCVEGCSA-N 300.403 -0.111 30 20 DBED C[C@](C#N)(NC(=O)CN1CC[C@@H](S(N)(=O)=O)C1)C1CC1 331703259 XFXCRVWKCAKDKC-ZYHUDNBSSA-N 300.384 -0.842 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)NCCN1CCSCC1 337088292 HBAZCIHMJMYHPZ-LLVKDONJSA-N 306.457 -0.039 30 20 DBED C[C@H](CO)N(CC1CCC1)S(=O)(=O)N1CCO[C@H](C#N)C1 337787512 YGIKIDMQHMSZEE-DGCLKSJQSA-N 317.411 -0.062 30 20 DBED CC#CCNC(=O)NC[C@H]1CCCCN1S(=O)(=O)N(C)C 341494241 GVTFOJHZTMESAB-GFCCVEGCSA-N 316.427 -0.030 30 20 DBED C=C[C@@H](CO)NS(=O)(=O)c1c(C)nn(CCN(C)C)c1C 349781989 HJJXCBJMGSCCLP-LBPRGKRZSA-N 316.427 -0.113 30 20 DBED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2C[C@@H](O)C[C@H]2C)n1 351049091 AXTDXXUPDJIQKI-KOLCDFICSA-N 305.338 0.256 30 20 DBED COC(=O)[C@@H](NCC(=O)NCC#N)c1ccc(OC)c(O)c1 351954023 OMNUDUZCGQAEDG-ZDUSSCGKSA-N 307.306 -0.156 30 20 DBED Cn1cc(CNc2cnn(CC(=O)NCCO)c2)cc1C#N 359682077 UEKUHQCSQYPJDN-UHFFFAOYSA-N 302.338 -0.186 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)c2nccn2CC)CC1 370476539 JEZMDJCZMPNDNU-UHFFFAOYSA-N 317.393 -0.200 30 20 DBED CC1CCN(C(=O)CN(CC#N)S(=O)(=O)N(C)C)CC1 408006702 DCCBSFVZKXSFSV-UHFFFAOYSA-N 302.400 -0.123 30 20 DBED Cn1cc(N2CCN(C(=O)[C@@H](N)CCCC#N)CC2=O)cn1 424125604 OEVFCOXBPMYJOC-LBPRGKRZSA-N 304.354 -0.384 30 20 DBED C#CCN1CCN(C(=O)CN2CC[C@](F)(C(=O)OC)C2)CC1 490866067 LRHXFSNGYAYFHU-OAHLLOKOSA-N 311.357 -0.649 30 20 DBED C#CCN(C)C(=O)C(=O)Nc1ccc(OC)c(-n2cnnn2)c1 491154346 IRPPAIZJRKZQHB-UHFFFAOYSA-N 314.305 -0.299 30 20 DBED C#CCNC(=O)CN1CCN([C@H]2CCN(C(C)C)C2=O)CC1 491741602 PINNAMMVACNGHP-AWEZNQCLSA-N 306.410 -0.637 30 20 DBED C#C[C@H](CCC)NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 491766384 GPSFRXMJKNCDNU-SNVBAGLBSA-N 317.349 -0.648 30 20 DBED C[C@@H]1OC(=O)N[C@@H]1C(=O)N(CCC#N)CCN1CCOCC1 496095510 ZTDWLTAAJFXWCB-RYUDHWBXSA-N 310.354 -0.442 30 20 DBED C=CCN(C(=O)CNC(=O)C1CC1)[C@H]1CCS(=O)(=O)C1 516699203 QGJSWBFNAYETJU-NSHDSACASA-N 300.380 -0.286 30 20 DBED N#Cc1cc(F)ccc1S(=O)(=O)N1C[C@@H](CO)[C@@H](O)C1 569745704 ZVZAMUDOURONKS-ONGXEEELSA-N 300.311 -0.329 30 20 DBED CC(C)(CCS(=O)(=O)N1CC(O)(CC#N)C1)S(C)(=O)=O 594766275 GOOWWNJMYZWMMV-UHFFFAOYSA-N 324.424 -0.510 30 20 DBED C[C@@H]1CC[C@@H](C(=O)O)CN1c1c(C#N)c(=O)n(C)c(=O)n1C 595973206 HHRCNAVONQYVTE-RKDXNWHRSA-N 306.322 -0.355 30 20 DBED CN(CCOCCN=c1nc[nH]cc1C#N)c1ncncc1C#N 596501170 COQAUKZOPWINJV-UHFFFAOYSA-N 324.348 -0.003 30 20 DBED Cc1nc(SCC(=O)NC[C@H](O)C(N)=O)c(C#N)c(C)c1C 597583435 DOHXHZUYBRYRPL-NSHDSACASA-N 322.390 -0.067 30 20 DBED COC(=O)C[C@@H](O)CNC(=O)CNC(=O)c1ccc(C#N)cc1 600458453 MBJKSSZQTLZLKX-GFCCVEGCSA-N 319.317 -0.672 30 20 DBED CC#CC[C@@H](CO)NC(=O)c1sccc1S(N)(=O)=O 616505231 JRELAYUPBQNLCV-QMMMGPOBSA-N 302.377 -0.100 30 20 DBED C=CCNC(=O)CNC(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1 626379036 NUOGRMKVJYGAKG-SNVBAGLBSA-N 305.338 -0.809 30 20 DBED C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[C@H]2CCN[C@@H]2C1 644225721 SATDLDMKBFQNTG-RQJABVFESA-N 307.394 -0.096 30 20 DBED C=C[C@H](O)C(=O)N1CCC(CNC(=O)c2cnn(C)c2)CC1 646791412 OLZROSDQSVOKRZ-ZDUSSCGKSA-N 306.366 -0.065 30 20 DBED C=C[C@@](C)(O)C(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 665457416 DTCVRGWDJFTEIU-WCQYABFASA-N 302.396 -0.745 30 20 DBED C=CC[C@@H](CO)CNC(=O)[C@@H]1CCCN1C(=O)CNC(C)=O 678800517 IQHFLDKDQIJMEU-OLZOCXBDSA-N 311.382 -0.586 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCC[C@@]12NC(=O)NC2=O 744627758 ZDAJRLAEAKGTGQ-BFQNTYOBSA-N 318.377 -0.422 30 20 DBED C[C@H](CS(C)(=O)=O)C(=O)OCC(=O)N(C)C(C)(C)C#N 747080101 MJGPLENOPDKLKR-SECBINFHSA-N 304.368 -0.029 30 20 DBED COCCNC(=O)[C@H](C#N)C(=O)CCn1cc([N+](=O)[O-])nc1C 750392042 JSSQFCISWAJHRH-SNVBAGLBSA-N 323.309 -0.039 30 20 DBED N#CCc1ccc(C(=O)OCC(=O)N2CCNC(=O)C2)cc1 758695702 JCWRMLBQSTYLJZ-UHFFFAOYSA-N 301.302 -0.132 30 20 DBED C=CCS(=O)(=O)CCNS(=O)(=O)CC1CCOCC1 782987834 RNNBAPJIIUFLLJ-UHFFFAOYSA-N 311.425 -0.067 30 20 DBED C#CCOCCNS(=O)(=O)N1CCC[C@H](C(=O)OCC)C1 784451101 CITKOTKCWHGFKM-LBPRGKRZSA-N 318.395 -0.254 30 20 DBED C=CC[C@H](NC(=O)C(=O)N1CCNC(=O)C1)c1ccncc1 805809901 ZNEWHTXIHSLIHS-LBPRGKRZSA-N 302.334 -0.227 30 20 DBED CC(C)[C@@H](C#N)N1CCN(C(=O)CN[C@]2(C)CCOC2=O)CC1 810096562 QOMPYXVNNCWLCP-CZUORRHYSA-N 322.409 -0.026 30 20 DBED Cn1cnn(CCC(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1=O 815574965 HELPGGODFYTTIN-GFCCVEGCSA-N 304.354 -0.829 30 20 DBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CNC(=O)O 826088197 WDFFVMUHSUFMPF-VIFPVBQESA-N 304.310 -0.347 30 20 DBED CCN1C[C@H](NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)CC1=O 836613159 ZHJDKBUCJLUDEK-DGCLKSJQSA-N 305.382 -0.011 30 20 DBED C#CCC[C@H](O)CNC(=O)[C@H](CO)NC(=O)c1cccc(F)n1 846064926 OOKNGNNGAZKGRL-JQWIXIFHSA-N 323.324 -0.798 30 20 DBED C#CCCN(CCOC)C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 854212320 YZXZNKCWBUOTGB-GFCCVEGCSA-N 317.411 -0.298 30 20 DBED C#CC[C@H](CCOC)NC(=O)N1CC[C@H](S(N)(=O)=O)C1 859018919 GDMSSROLTDRFJU-MNOVXSKESA-N 303.384 -0.513 30 20 DBED C#CCNC(=O)CN1CCN(CC(=O)NCC(C)(C)C)CC1 859118988 LGEIMENUYKSTCI-UHFFFAOYSA-N 308.426 -0.484 30 20 DBED C#CCN1CCC[C@@H](NC(=O)NCCCN2C(=O)CCC2=O)C1 884131477 MEBJLIUUXZJOGO-CYBMUJFWSA-N 320.393 -0.078 30 20 DBED C#CC1(O)CN(C(=O)NC[C@H](C(C)C)N2CCN(C)CC2)C1 891755572 XOUBOEPTBONXLP-CQSZACIVSA-N 308.426 -0.352 30 20 DBED O=C(NCC#CCO)NCc1cccc(N2CCOCC2)n1 923774725 XCWMTMADVXCZMY-UHFFFAOYSA-N 304.350 -0.287 30 20 DBED O=C1CC[C@@H](C(=O)N[C@H]2CCN(C(=O)C#CC3CC3)C2)CN1 938233884 YVDMYUJOWZFLHF-OLZOCXBDSA-N 303.362 -0.357 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](NC(=O)c2cn(C)ccc2=O)C1 938357190 KBSZXDOLRYFUKV-MNOVXSKESA-N 302.334 -0.124 30 20 DBED N#Cc1cc(C(=O)N2CC[C@@H](NC(=O)[C@H]3COC(=O)N3)C2)c[nH]1 940238316 IOXUGLRYFKIKKY-MWLCHTKSSA-N 317.305 -0.675 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)c2ccc(O)nc2)C1 944773463 WDNZFRBGZUANRX-PWSUYJOCSA-N 318.333 -0.096 30 20 DBED O=C(Cn1ncnn1)NC1CCN(C(=O)C#CC2CC2)CC1 946696673 XPTCBVZELBTSTN-UHFFFAOYSA-N 302.338 -0.806 30 20 DBED C#Cc1cncc(C(=O)NC2CCN(C(=O)C(N)=O)CC2)c1 948076888 GGCNCQXNVBOLJG-UHFFFAOYSA-N 300.318 -0.731 30 20 DBED Cn1ncc(C(=O)N2CC[C@@H]2CNC(=O)c2c[nH]c(C#N)c2)n1 949491548 QTIZKIPJGRBADQ-LLVKDONJSA-N 313.321 -0.341 30 20 DBED C[C@@H](C#N)C(=O)N1[C@H]2CCC[C@H]1CN(C(=O)[C@H]1COC(=O)N1)C2 952706807 DMFADUHIFKESGZ-FIQHERPVSA-N 320.349 -0.154 30 20 DBED CN(C(=O)c1nc2ncccn2n1)C1CN(C(=O)C#CC2CC2)C1 955086247 FMRARZGOMHQPEX-UHFFFAOYSA-N 324.344 -0.180 30 20 DBED C#CCOc1ncccc1C(=O)N1CCN(CC(=O)NC)CC1 957375109 BVALHUASEXCORA-UHFFFAOYSA-N 316.361 -0.403 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2n[nH]c3c2CCCC3)C1 958207046 QMPGHHMFBMOATE-RISCZKNCSA-N 302.378 -0.056 30 20 DBED C#CCOc1ncccc1C(=O)N1C[C@H](O)[C@@H](N(C)C(C)=O)C1 958353434 MUTKOMYAJDLDTA-KBPBESRZSA-N 317.345 -0.243 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2CN(CCOC)C[C@@H]2O)cn1 958602491 HABHTJYVZIVDCD-HIFRSBDPSA-N 303.362 -0.268 30 20 DBED C=CCn1cc(C(=O)N(C)[C@H]2CN(C(=O)C3CC3)C[C@@H]2O)nn1 958849314 LMXJEWBCYQAGEJ-STQMWFEESA-N 319.365 -0.482 30 20 DBED Cc1n[nH]cc1C(=O)N1CCO[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]21 960717589 MRWHJJXGHLKQQG-TVYUQYBPSA-N 317.349 -0.070 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@H](NC(=O)Cn2cccn2)C1 961569307 VBOPKNQVXHQGLY-NEPJUHHUSA-N 306.366 -0.217 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(C[C@H](NC(=O)c3cn(C)nn3)CO2)C1 965682464 CBEWHOFLOQOJMI-UWVGGRQHSA-N 318.337 -0.926 30 20 DBED CO[C@@H](C)C(=O)N1CC(N2CCN(C(=O)C#CC3CC3)CC2)C1 967209194 ASCFSJODHSIMEY-ZDUSSCGKSA-N 319.405 -0.210 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@H](NC(=O)c2cncn2C)C1 968563626 BMRCHIFZFKMXTM-PWSUYJOCSA-N 306.366 -0.066 30 20 DBED C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)CN2C(=O)CNC2=O)C1 968628432 YKSFXAHCQWJVQZ-NEPJUHHUSA-N 308.382 -0.059 30 20 DBED C#CCN1CCC(C(=O)N[C@H]2CN(CC(N)=O)CC[C@@H]2C)CC1 968682539 SCDJFSQZHDTUTF-ZFWWWQNUSA-N 320.437 -0.357 30 20 DBED C#Cc1ccc(C(=O)N2[C@H]3CC[C@H]2CN(C(=O)C(N)=O)C3)nc1 969496095 ZHYBUFQZJIWAQM-RYUDHWBXSA-N 312.329 -0.636 30 20 DBED C=CCN1CCO[C@@]2(CCN(C(=O)CS(C)(=O)=O)C2)C1 972283577 DMLJSBVFBCYHPP-ZDUSSCGKSA-N 302.396 -0.480 30 20 DBED Cc1cc(C)n(CC(=O)N2CC[C@H](N(C)CC#N)C2)c(=O)n1 972626363 RBRGQYMZEDJSRW-ZDUSSCGKSA-N 303.366 -0.084 30 20 DBED N#Cc1cc(C(=O)N[C@H]2C[C@H](NC(=O)Cn3cncn3)C2)c[nH]1 973189433 SNMVJHCQGRVJSH-XYPYZODXSA-N 313.321 -0.445 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)Cn3cncn3)[C@@H]2C1 975274810 BKNIYVUZCCHDSR-QJPTWQEYSA-N 302.338 -0.503 30 20 DBED CN(C[C@H]1CCN1C(=O)C#CC1CC1)C(=O)c1ncn(C)n1 977663876 NZEAHTZGHGKJKI-GFCCVEGCSA-N 301.350 -0.099 30 20 DBED CNC(=O)CN1C[C@H]2C(CNC(=O)c3ccc(C#N)[nH]3)[C@@H]2C1 978023046 RCUITLHNTKATIQ-RYUDHWBXSA-N 301.350 -0.460 30 20 DBED C#CCCN1C[C@@H]2C(CNC(=O)c3nnc(O)nc3O)[C@H]2C1 978417793 VMWLFMSZTARHNQ-NXEZZACHSA-N 303.322 -0.786 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCC1[C@@H]2CN(CC(=O)NC)C[C@@H]12 978724060 YTDAJCHEWMWUIN-SAXRGWBVSA-N 307.394 -0.383 30 20 DBED C=CCN1C[C@H]2[C@H](CNC(=O)c3nccnc3C(N)=O)[C@H]2C1 979055716 IUZBOYRWNPDRCN-RTCCRHLQSA-N 301.350 -0.331 30 20 DBED C=CCN[C@H]1CCC[C@H](NC(=O)CN2CCN(C)C(=O)C2)C1 981182239 PPOFHUCPFKZXRG-KBPBESRZSA-N 308.426 -0.037 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C(=O)N2CCN(CCO)CC2)CC1 985825526 PSXALURCGVYQRD-ZDUSSCGKSA-N 323.397 -0.980 30 20 DBED CC#CCN1CCC[C@H](NC(=O)CN2CCN(C)C(=O)C2)[C@@H]1C 993517915 GVCQTSKOGPSPNS-GJZGRUSLSA-N 320.437 -0.247 30 20 DBED C=CCn1cccc1C(=O)NC1CN(C(=O)Cn2ncnn2)C1 994197681 JRGXYGMHICNGFA-UHFFFAOYSA-N 315.337 -0.699 30 20 DBED N#CCNC1CCN(C(=O)c2cnn3c(=O)cc[nH]c23)CC1 997082304 ZYKLXFSZPIFWFU-UHFFFAOYSA-N 300.322 -0.260 30 20 DBED C=CCN1CC[C@H](N[C@@H]2CCCN(C(=O)c3nc[nH]n3)C2)C1=O 1000494328 KVZJDQBDLBCUBK-NEPJUHHUSA-N 318.381 -0.214 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(=O)NCCN(C(=O)[C@H](C)C#N)CC1 1001778421 WDRKMAOSASJPMY-NWDGAFQWSA-N 319.365 -0.517 30 20 DBED N#Cc1cc(C(=O)N2C[C@H]3CC[C@H]2CN3C(=O)C(N)=O)c[nH]1 1007272191 TXGBYPVZKHITLU-WDEREUQCSA-N 301.306 -0.813 30 20 DBED C[C@H]1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)CN1C(=O)CC(N)=O 1018072176 WKONLYMFKDYOBZ-GXSJLCMTSA-N 317.349 -0.129 30 20 DBED C[C@H]1CN(C(=O)C(N)=O)CC[C@H]1CNC(=O)c1c[nH]c(C#N)c1 1020798201 IPIZLYKPNSZJSX-UWVGGRQHSA-N 317.349 -0.414 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2CCCN([C@@H](C)C(N)=O)C2)nn1 1023638154 YNLOARQGHZIMKT-RYUDHWBXSA-N 320.397 -0.220 30 20 DBED C#Cc1ccc(C(=O)N2C[C@@H]3[C@@H](CC[C@H]3NCC(N)=O)C2)nc1 1026402087 GZOFUVIPHUTXEW-BFHYXJOUSA-N 312.373 -0.012 30 20 DBED CN(CC#N)[C@@H]1CCCN(C(=O)Cn2ccc(O)nc2=O)C1 1027483033 JYPDMPKICNHBEZ-LLVKDONJSA-N 305.338 -0.605 30 20 DBED N#CCN1CCC[C@H]1CNC(=O)[C@H]1CN2CC3CC2(CO1)C3 1028037038 MEOPWLZXPHXOKW-IOSBVQAASA-N 304.394 -0.046 30 20 DBED C=C(C)CN1CCC[C@H]1CNC(=O)[C@@H]1CCS(=O)(=O)N1 1028325153 HOYBZHACEPTHCG-RYUDHWBXSA-N 301.412 -0.165 30 20 DBED C#CCCN1CC[C@@H](N(C)C(=O)CN2CCN(C)C(=O)C2)C1 1033211276 IWKAYLXMEAJEDL-CQSZACIVSA-N 306.410 -0.684 30 20 DBED C#CCCN1CCCC[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 1034247288 MTCGJYHOHPLPIX-NEPJUHHUSA-N 306.366 -0.422 30 20 DBED Cn1cnc(C(=O)N2CC[C@@H]3[C@@H](CCN3CC#N)C2)cc1=O 1036739613 BKRMVZPSDYVKTG-WCQYABFASA-N 301.350 -0.160 30 20 DBED N#CCN1CC[C@H]2CN(C(=O)CN3C(=O)CCC3=O)CC[C@H]21 1036890680 WTSNCJFEUUEGBW-NWDGAFQWSA-N 304.350 -0.418 30 20 DBED C=CCCN1C[C@H]2C[C@H]1[C@H]2NC(=O)c1cn(C)c(=O)nc1O 1037716280 NANMAGWPJLAGAY-USWWRNFRSA-N 304.350 -0.136 30 20 DBED N#Cc1cccc(CN2CC[C@H]2CNC(=O)[C@@H]2CNC(=O)N2)c1 1038653389 WVROODAHYFQSMN-KBPBESRZSA-N 313.361 -0.070 30 20 DBED C#CCCCC(=O)NC[C@]1(O)CCN(C(=O)[C@H]2CCN(C)C2)C1 1039575858 HFZQYZACBYSMEE-WMLDXEAASA-N 321.421 -0.179 30 20 DBED O=C(C#CC1CC1)NC[C@]1(O)CCN(C(=O)C[C@@H]2CCOC2)C1 1039680967 RAUYUXRKENGIQR-WMLDXEAASA-N 320.389 -0.094 30 20 DBED C[C@H]1[C@@H](N=c2cc[nH]cc2C#N)CCN1C(=O)[C@@H]1CNC(=O)N1 1040233541 DNFSKDFYDJKSFL-GAFUQQFSSA-N 314.349 -0.542 30 20 DBED Cc1cnc(C(=O)NCC2(O)CN(C(=O)C#CC3CC3)C2)cn1 1041279359 BDUTWASKOFHUIV-UHFFFAOYSA-N 314.345 -0.498 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)[C@H]2C[C@@H](C)CO2)C1 1042039945 MIOHTQOVAOQPDT-VXGBXAGGSA-N 312.366 -0.697 30 20 DBED C#CCCCCC(=O)N1CC(O)(CNC(=O)CNC(=O)CC)C1 1042108077 HQMPZCHJUYLCMJ-UHFFFAOYSA-N 323.393 -0.604 30 20 DBED C#CCN1CC[C@@H]2CCN(C(=O)c3cn(C)c(=O)cn3)C[C@H]21 1042159930 IHDIIEWRYWPKAX-TZMCWYRMSA-N 300.362 -0.050 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)[C@H]2CN(C)C[C@@H]2C)C1 1042801873 XKMBVQDMQWNGPU-KBPBESRZSA-N 321.421 -0.323 30 20 DBED CO[C@H](C(=O)NCC1(O)CN(C(=O)C#CC(C)C)C1)C1CC1 1042840871 LLAGPEVXDBWHGN-AWEZNQCLSA-N 308.378 -0.240 30 20 DBED C[C@@H]1CN(C(=O)[C@H]2COCCO2)C[C@H]1N=c1cc[nH]c(C#N)n1 1043080877 VRADPGKHCPARIR-IJLUTSLNSA-N 317.349 -0.556 30 20 DBED N#Cc1nccc(N2C[C@H](O)[C@H](NC(=O)[C@@H]3CCOC3)C2)n1 1043866990 MXDJPFDYAPGHLM-MXWKQRLJSA-N 303.322 -0.950 30 20 DBED COCC1(C(=O)NCC2(O)CN(C(=O)[C@@H](C)C#N)C2)CCC1 1043920303 KBSOYSPNFGEFSR-NSHDSACASA-N 309.366 -0.348 30 20 DBED Cc1nsc(N2C[C@H](O)[C@H](NC(=O)c3cnn[nH]3)C2)c1C#N 1044788557 MQHFYPINPONDMP-ZJUUUORDSA-N 319.350 -0.579 30 20 DBED C=C[C@H](C)[C@@H](C)C(=O)NCC1(O)CN(C(=O)CC(=O)NC)C1 1044981454 WTPHDLSUXNHSHV-WDEREUQCSA-N 311.382 -0.730 30 20 DBED CC(=O)N(C)CCCC(=O)N1CC(O)(CNC(=O)[C@@H](C)C#N)C1 1045545975 GALJRBPITXZFMV-NSHDSACASA-N 324.381 -0.906 30 20 DBED CCCn1cc(C(=O)N2CC(O)(CNC(=O)[C@@H](C)C#N)C2)nn1 1045547169 WJAMLNIRWISKTJ-JTQLQIEISA-N 320.353 -0.849 30 20 DBED C=C[C@](C)(CC)C(=O)NCC1(O)CN(C(=O)c2ncn(C)n2)C1 1045777355 HPSZCFVCVLJPIP-CQSZACIVSA-N 321.381 -0.280 30 20 DBED C=CCN1CC[C@@H](N2CCN(C(=O)CS(C)(=O)=O)CC2)C1 1046009208 OPRZKSCJFQQODS-CYBMUJFWSA-N 315.439 -0.565 30 20 DBED C=CCN1CC[C@@H](N2CCN(C(=O)[C@H]3CCC(=O)N3)CC2)C1 1046013300 WKBIKPYOBRMJSY-ZIAGYGMSSA-N 306.410 -0.331 30 20 DBED C#CCN1CC[C@H](N2CCN(C(=O)c3cn(C)c(O)n3)CC2)C1 1046060920 HREDJVRKZLVWPL-ZDUSSCGKSA-N 317.393 -0.409 30 20 DBED C=CCN1CC[C@@H](N2C[C@H](O)[C@@H](N(C)C(=O)[C@H]3C[C@@H]3C)C2)C1=O 1047491890 UTWDVQFYHCDYAK-RMEBNNNOSA-N 321.421 -0.067 30 20 DBED COc1ncnc(OC)c1C(=O)N(C)[C@H]1CN(CC#N)C[C@@H]1O 1047645260 IVRFOFFWPJLUJG-UWVGGRQHSA-N 321.337 -0.866 30 20 DBED C=CCOCC(=O)N(C)[C@H]1CN(C(=O)c2cc(C)[nH]n2)C[C@@H]1O 1048554896 KEADFZYZWAMZCO-STQMWFEESA-N 322.365 -0.436 30 20 DBED C=CCN1C[C@H]2CN(C(=O)[C@H]3CN(C(C)=O)CCO3)C[C@H]2C1 1049197812 UBYSTBBXKMEFEJ-QLFBSQMISA-N 307.394 -0.190 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)[C@H]1CC(=O)N(C(C)C)C1 1050944938 GXAUWRFKZZAEFB-KBPBESRZSA-N 307.394 -0.307 30 20 DBED CC1(C)C[C@H](NC(=O)C(N)=O)CCN(c2cnc(C#N)cn2)C1 1051378106 ZCQKWAJQQASOAD-SNVBAGLBSA-N 316.365 -0.055 30 20 DBED N#Cc1nccnc1N1CC[C@@H](NC(=O)c2ccon2)[C@H](O)C1 1051632390 PYMPBMKHLSPFIT-BXKDBHETSA-N 314.305 -0.294 30 20 DBED N#Cc1ccc(N2CC[C@@H](NC(=O)c3cnon3)[C@H](O)C2)nc1 1051720399 XYFWVIVSLBMUSQ-ZYHUDNBSSA-N 314.305 -0.294 30 20 DBED C#CCN1CC2(C1)CN(C(=O)[C@@H]1CCC(=O)N(C)C1)CCO2 1053542324 DFNSJKYTIHPPFB-CYBMUJFWSA-N 305.378 -0.599 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@](CO)(NC(=O)c2cocn2)C1 1055834691 ZAEWDBHPOSAETM-IINYFYTJSA-N 306.322 -0.082 30 20 DBED N#Cc1ccc(N2C[C@H]3[C@H](NC(=O)Cc4nc[nH]n4)[C@H]3C2)nc1 1056297726 PSIACJXMBOEJNQ-HBYGRHMLSA-N 309.333 -0.135 30 20 DBED NC(=O)NCC(=O)N1CC[C@H]2[C@@H]1CCCN2C(=O)C#CC1CC1 1056389370 KOSLJKOJDNTBCB-STQMWFEESA-N 318.377 -0.340 30 20 DBED C=C[C@](C)(O)CC(=O)NCCN(CCO)C(=O)C#CC(C)C 1057517062 JMWXWRSCFOEDMZ-INIZCTEOSA-N 310.394 -0.090 30 20 DBED C=CC(C)(C)C(=O)N(CCO)CCNC(=O)CCn1cncn1 1058300250 CECVXJCGJFXTTQ-UHFFFAOYSA-N 323.397 -0.183 30 20 DBED CN1CCO[C@@H](C(=O)N[C@@H]2CCN(c3cncc(C#N)n3)C2)C1 1058317109 OVCHYVWDCGRVPL-DGCLKSJQSA-N 316.365 -0.626 30 20 DBED CC(C)(C)C#CC(=O)NCCN(CCO)C(=O)[C@H]1C[C@H]1C(N)=O 1058853595 GTBUIZUKZRJLQP-NEPJUHHUSA-N 323.393 -0.906 30 20 DBED C[C@H](C#N)C(=O)NCC[C@H]1CCN(C(=O)c2nnn(C)n2)C1 1060146932 IYKOWOHGPGTALR-ZJUUUORDSA-N 305.342 -0.662 30 20 DBED C#CCCCC(=O)NC[C@H]1COCCN1C(=O)CC(=O)NC 1061540372 JRCYIKQQZKCAKF-LBPRGKRZSA-N 309.366 -0.730 30 20 DBED C#CCCCC(=O)N1CCCC[C@@H]1CNC(=O)Cn1cnnn1 1062167994 TVPGFMOVXOCIKH-CYBMUJFWSA-N 318.381 -0.026 30 20 DBED CN(C(=O)[C@H]1COCCO1)[C@H]1CCN(c2cncc(C#N)n2)C1 1062890077 KJRLOHQDHDSBLA-QWHCGFSZSA-N 317.349 -0.199 30 20 DBED O=C(C#CC1CC1)NCC1(NC(=O)[C@H]2CCC(=O)N2)CCC1 1062974169 PCSGSTCKVXZZLN-GFCCVEGCSA-N 303.362 -0.167 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CN(C(=O)c2cnns2)CCO1 1064907115 IGJRSLIRUASYBF-RKDXNWHRSA-N 309.351 -0.345 30 20 DBED CCNC(=O)CCC(=O)N1CCO[C@@H](CNC(=O)[C@@H](C)C#N)C1 1064967342 GAHKSEMGEXQTPE-RYUDHWBXSA-N 324.381 -0.594 30 20 DBED Cc1nc[nH]c1C(=O)N1CCO[C@H](CNC(=O)[C@H](C)C#N)C1 1065330940 HBYCWAAUVAKYTP-MWLCHTKSSA-N 305.338 -0.165 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CN(C(=O)CCCN(C)C)CCO1 1065536009 UBYOJTNVYCPUCT-OLZOCXBDSA-N 310.398 -0.169 30 20 DBED C[C@@H](Nc1ccc(C#N)cn1)[C@H]1CN(C(=O)C(N)=O)CCO1 1068243605 KYDDTDYCNLAPDN-MWLCHTKSSA-N 303.322 -0.534 30 20 DBED C#CCN1CCOC[C@@H]1c1n[nH]c(CNC(=O)c2cnco2)n1 1070587997 LRDSFAXOSOAWKF-SNVBAGLBSA-N 316.321 -0.271 30 20 DBED C=C(C)CN1C[C@H]2C[C@H]3CN(C(=O)[C@@H]4COC(=O)N4)C[C@@]3(C1)O2 1070793165 AFVJLGVIKBBZDK-RSUWNVLCSA-N 321.377 -0.027 30 20 DBED C=CCN1C[C@H]2C[C@@H]3CN(C(=O)[C@@H]4CCNC4=O)C[C@@]3(C1)O2 1070836457 XNXZCSXWHIDCPB-BRXULGCHSA-N 305.378 -0.390 30 20 DBED C[C@]1(C(=O)N2C[C@H]3C[C@@H]4CN(CC#N)C[C@]3(C2)O4)CCNC1=O 1070854235 XBURNTPRNRYXOJ-AVRGHOLYSA-N 318.377 -0.662 30 20 DBED C=CCOCC(=O)N1C[C@H](C)[C@@H](NC(=O)CNC(=O)CC)C1 1071808573 IZGQJQJVQPRONY-RYUDHWBXSA-N 311.382 -0.322 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H](C)[C@@H](NC(=O)CC(C)(C)O)C1 1071936513 QDFWAGZJVDHMHO-RYUDHWBXSA-N 323.393 -0.750 30 20 DBED CC(C)C#CC(=O)N1C[C@H](C)[C@H](NC(=O)Cc2nc[nH]n2)C1 1072047204 AYXXUKXMRZWQFP-NWDGAFQWSA-N 303.366 -0.030 30 20 DBED C#CCOCCC(=O)N1C[C@H](C)[C@H](NC(=O)C(C)(C)C(N)=O)C1 1072097184 JXZBGHBNVYBJJM-NWDGAFQWSA-N 323.393 -0.499 30 20 DBED C[C@H](C#N)C(=O)N1CCC(O)(CNC(=O)Cc2cnoc2)CC1 1074706831 PPPUDPAWMCBDIM-LLVKDONJSA-N 320.349 -0.154 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCN(C(=O)CNC(N)=O)[C@@H](C)C1 1074990838 MAUHHLSONNZHHN-NWDGAFQWSA-N 324.381 -0.810 30 20 DBED CC(=O)NCC(=O)NCC[C@H](C)NC(=O)c1cc(C#N)c[nH]1 1075418253 CKOXYBNTJQANGP-VIFPVBQESA-N 305.338 -0.353 30 20 DBED C#CCCN1C[C@@H]2CCN(C(=O)CN3CCOCC3=O)[C@@H]2C1 1075888391 HBJRHCNBKJZYNU-UONOGXRCSA-N 305.378 -0.599 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)C[C@](C)(O)C=C 1076218990 OQZUCKWCFOOVSJ-BLLLJJGKSA-N 323.393 -0.536 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN([C@H]3CCN(C)C3=O)C[C@H]2O)C1 1077645628 PSWQXNARHLBBPX-FRRDWIJNSA-N 307.394 -0.265 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(Cc2nnc(C)o2)C[C@H]1O 1077694288 KWGZFDUQYZYSQZ-LPWJVIDDSA-N 322.365 -0.370 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C2CC2)N2CCOCC2)C1 1078213734 AFGUDMCKGWEXGB-BZUAXINKSA-N 323.437 -0.165 30 20 DBED C#CCN[C@@H]1C[C@H](NC(=O)c2cnc(O)n(C)c2=O)C12CCC2 1078698541 REFTYZRYBBWKDG-NEPJUHHUSA-N 316.361 -0.250 30 20 DBED CCN(C(=O)Cn1cncn1)C1CN(C(=O)C#CC2CC2)C1 1080584083 JNSFNCFUSMNTIE-UHFFFAOYSA-N 301.350 -0.249 30 20 DBED C=CCC(CC=C)C(=O)NC[C@@H]1CN(C(=O)CC(N)=O)C[C@@H]1O 1081512495 ZFGHIJRWWDZYSQ-OLZOCXBDSA-N 323.393 -0.434 30 20 DBED CC#CCN1C[C@@H](NC(=O)c2nnn(C(C)(C)C)n2)[C@H](OC)C1 1081700026 LVSMCJWTFXSFDN-VXGBXAGGSA-N 320.397 -0.120 30 20 DBED C=CCOCC(=O)N1C[C@H](CNC(=O)C2(CF)CC2)[C@@H](O)C1 1081755563 QRJRKNWUJCLPFF-RYUDHWBXSA-N 314.357 -0.126 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1noc2c1COCC2 1082378691 RVEQJZDVITUDSX-ZYHUDNBSSA-N 306.322 -0.300 30 20 DBED C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1N[C@H]1CCNC1=O 1082480180 LMWAUJZPGLZBMW-SUZMYJTESA-N 301.350 -0.175 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CCn2ccnc2C1 1083125069 CJPXHQUJVSKIRW-SOUVJXGZSA-N 314.389 -0.010 30 20 DBED C=CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1nc2ncccn2n1 1083228404 ADPNBUYGMDCFQQ-NWDGAFQWSA-N 314.349 -0.165 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CCCC(=O)N1C 1083261914 RZMTXRJKLKBMIL-QLFBSQMISA-N 319.405 -0.068 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2ccn(C3CCOCC3)n2)C1 1083460367 DJOAGHZNPZPLNL-KGLIPLIRSA-N 319.365 -0.467 30 20 DBED CCOCC(=O)N[C@@H]1CN(c2cc(C#N)nc(CC)n2)C[C@H]1O 1090365429 QVWZZTBETCDPSU-VXGBXAGGSA-N 319.365 -0.387 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2ccnc3c2CC(=O)N3)[C@H](O)C1 1090393386 KCYPCCITCJPRQI-VXGBXAGGSA-N 315.333 -0.735 30 20 DBED CC[C@@H](C)OCC(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1O 1090410394 ZQKFWPOFAXSXFC-RAIGVLPGSA-N 319.365 -0.171 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2cnc3nccn3c2)[C@H](O)C1 1090430500 MQHDEHODPCKBPY-UONOGXRCSA-N 313.361 -0.082 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2CCN(CCOC)C[C@@H]2O)c1 1090558072 CGVCGDIQTGNNOM-CABCVRRESA-N 303.362 -0.126 30 20 DBED C=C(C)CCN1CC[C@@H](NC(=O)CN2C(=O)CNC2=O)[C@H](O)C1 1090793716 LMQJOKSQUGTMNI-VXGBXAGGSA-N 324.381 -0.944 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)c2cn(C)c(=O)nc2O)[C@@H](O)C1 1090804852 LFRRACVLLKAGNI-NEPJUHHUSA-N 322.365 -0.773 30 20 DBED CC(C)(C)OCC(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@@H]1O 1091094449 PUHQBQRSHJCUTD-NEPJUHHUSA-N 319.365 -0.171 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1C[C@H](CNC(=O)Cn2nccn2)C1 1091482422 KMAWJACVYMSXFJ-AULYBMBSSA-N 311.349 -0.026 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CCN(c2ccncc2C#N)C[C@H]1O 1092130858 XVDAGBAMSOCIEC-TZMCWYRMSA-N 317.349 -0.855 30 20 DBED CC(=O)NCC(=O)N1C[C@@H](C)[C@H](CN=c2cc[nH]c(C#N)n2)C1 1092628818 PTTPQPROSXIAMK-ZYHUDNBSSA-N 316.365 -0.587 30 20 DBED C#CCCN1C[C@@H](C)[C@H](CNC(=O)[C@H]2CN(C(C)=O)CCO2)C1 1093170628 XRUCZMWOTHGFOW-FVQBIDKESA-N 321.421 -0.059 30 20 DBED CN(C)C(=O)CC(=O)NC1[C@H]2CN(c3ccc(C#N)cn3)C[C@H]12 1093358043 NIDWWSNXIGIAOW-RYUDHWBXSA-N 313.361 -0.018 30 20 DBED Cc1cn(C)nc1C(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1 1094736461 IVYNXLHNOPAQDW-LLVKDONJSA-N 316.365 -0.733 30 20 DBED CCc1ncoc1C(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1 1094782961 IJMPFGOEDDYVJT-JTQLQIEISA-N 317.349 -0.225 30 20 DBED C[C@H]1CC(=O)N[C@@H](C(=O)NCCCN=c2cc[nH]c(C#N)n2)C1 1094836861 AQSRJFMGSIMAGN-GHMZBOCLSA-N 316.365 -0.397 30 20 DBED CC(=O)N[C@@H](C)C(=O)N1CCCN(c2cncc(C#N)n2)CC1 1095161590 ZMUXTMUVPZNAOX-NSHDSACASA-N 316.365 -0.088 30 20 DBED CN(CCCNC(=O)[C@@H]1CCC(=O)N1)c1ccc(C#N)nn1 1095597371 FNUGYKAKGDISLF-NSHDSACASA-N 302.338 -0.431 30 20 DBED N#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1coc(S(N)(=O)=O)c1 1095639912 WPDUTCMMAFOWCB-VWYCJHECSA-N 324.362 -0.214 30 20 DBED CC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN1CCN(C)C(=O)C1 1095647234 KMCPOBBKOYPCHW-ILXRZTDVSA-N 318.421 -0.495 30 20 DBED CC(=O)N[C@@H](C)C(=O)N1CC[C@H](Nc2cnc(C#N)cn2)C1 1096913287 CMHSLSAQLQGRDT-ONGXEEELSA-N 302.338 -0.114 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1C[C@@H](Nc2ccc(C#N)nn2)C1 1097175868 HJTDWTNWRIQPDL-TXEJJXNPSA-N 312.333 -0.453 30 20 DBED C[C@H](CNC(=O)Cn1cnnn1)Nc1ncc(C#N)cc1F 1097697573 XFGQAYKBPFECPG-MRVPVSSYSA-N 304.289 -0.304 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)Nc1ccc(C#N)cn1 1098214049 VIEAEXITJLZDMO-ONGXEEELSA-N 302.338 -0.107 30 20 DBED C=CCN(CCO)C1CCN(C(=O)[C@H]2CN(C)C(=O)N2)CC1 1098447847 ZORAVUXSCZNHQB-CYBMUJFWSA-N 310.398 -0.519 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)Nc1ccc(C#N)nn1 1098985000 PZNKWYMFPHFQFD-NSHDSACASA-N 314.349 -0.206 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CCN(CC(=O)NC(N)=O)C[C@H]2O)C1 1099994927 YTWQEFFWWCBJFH-GHMZBOCLSA-N 324.381 -0.911 30 20 DBED C=CCN1CC[C@H](NC(=O)CCCN2C(=O)CNC2=O)[C@@H](O)C1 1100104000 VIIAROTTWQGEHI-RYUDHWBXSA-N 324.381 -0.944 30 20 DBED C#CCOCCC(=O)NCC1CC(NCc2nnn(C)n2)C1 1100325028 POQGOVPFMGXBEV-UHFFFAOYSA-N 306.370 -0.766 30 20 DBED C#CCCNC1CC(CNC(=O)[C@@H]2CC(=O)N(CCOC)C2)C1 1100377882 OCYLSYHVOPOMSJ-SHARSMKWSA-N 321.421 -0.011 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CC(CNC(=O)c2[nH]nnc2C)C1 1100558048 UWJFZXOUSNARIJ-VOMCLLRMSA-N 318.381 -0.651 30 20 DBED CCN(CCNC(=O)CC(=O)N(C)C)c1nccnc1C#N 1100743731 PNKSBLNDANTUAF-UHFFFAOYSA-N 304.354 -0.231 30 20 DBED N#Cc1cnc(N2CCC[C@@H]2CNC(=O)CNC(N)=O)c(F)c1 1100779473 LDZAQRHSIMKFSN-SNVBAGLBSA-N 320.328 -0.154 30 20 DBED COCC#CCN1C[C@@H]2CN(C(=O)[C@@H]3COCCO3)C[C@]2(C)C1 1101131169 QDUGQVVKVPUWSA-VYDXJSESSA-N 322.405 -0.168 30 20 DBED N#Cc1nccc(N(CCNC(=O)[C@H]2COCCO2)C2CC2)n1 1101285753 UJVQNMUPHFMBBA-GFCCVEGCSA-N 317.349 -0.151 30 20 DBED CC(=O)NCC(=O)N(C)[C@H]1CCN(c2cnc(C#N)cn2)C1 1102670427 ZXGRZBZUFYLLDK-LBPRGKRZSA-N 302.338 -0.479 30 20 DBED CNC(=O)NCCC(=O)N(C)[C@@H](C)CNc1nccnc1C#N 1104546776 GCCZTIBQLPAYPU-JTQLQIEISA-N 319.369 -0.074 30 20 DBED C#CCNCc1cn(C2CN(C(=O)CCC(=O)NCC)C2)nn1 1105187708 CSODLYKRKCYLCK-UHFFFAOYSA-N 318.381 -0.700 30 20 DBED C#CCNCc1cn(C2CN(C(=O)c3nocc3C)C2)nn1 1105356373 MQLJXCWRPXOUEV-UHFFFAOYSA-N 300.322 -0.006 30 20 DBED N#Cc1nc(=NC[C@@H](O)CNC(=O)C2(F)CCCC2)cc[nH]1 1106013307 HKHAJWVZGISZBD-SNVBAGLBSA-N 307.329 -0.059 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](C)[C@H](CNCC(=O)NC(N)=O)C1 1106099930 SPMLNKMQEUMGER-VXGBXAGGSA-N 308.382 -0.475 30 20 DBED C#CCOCCC(=O)NC[C@]1(C)CN([C@H]2CCNC2=O)CCO1 1107940842 XWQPOQREPGASSD-XJKSGUPXSA-N 323.393 -0.878 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)CC[C@H]3CCCO3)CC2=O)C1 1108506683 XKWMRDCSDHANQX-DZGCQCFKSA-N 319.405 -0.020 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CC(=O)N(C2CN(CCC)C2)C1 1108546292 TVFCHHMOPCMGRI-QWHCGFSZSA-N 307.394 -0.164 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)CCCC(N)=O)CC2=O)C1 1108595622 UCMUDBIFXULINV-LLVKDONJSA-N 308.382 -0.771 30 20 DBED C[C@@H](CNc1ccc(C#N)nn1)NC(=O)[C@H]1C[C@H]1C(=O)N(C)C 1108701301 QLIBIMOVMMZUEG-ZMLRMANQSA-N 316.365 -0.011 30 20 DBED CN(CCCN=c1cc[nH]c(C#N)n1)C(=O)Cn1nccn1 1109538972 BZJGTRKVWFKRBM-UHFFFAOYSA-N 300.326 -0.678 30 20 DBED CNC(=O)NCC(=O)N(C)CCCNc1cnc(C#N)cn1 1109655539 AWSKBHRNXNYKSV-UHFFFAOYSA-N 305.342 -0.462 30 20 DBED C=CCCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CNS(=O)(=O)NC 1110861387 POTSSSKRMQHVHC-UTUOFQBUSA-N 316.427 -0.662 30 20 DBED N#Cc1cncc(N2CC[C@@](O)(CNC(=O)c3cocn3)C2)n1 1111039212 BFDBQFYWTXJAOQ-CQSZACIVSA-N 314.305 -0.293 30 20 DBED CC(=O)NCC(=O)N1C[C@@H](C)[C@@H](CNc2cncc(C#N)n2)C1 1111232321 FNLGMRCWIMQKOQ-PWSUYJOCSA-N 316.365 -0.009 30 20 DBED N#Cc1cnc(NCCN(CCO)C(=O)C2=COCCO2)cn1 1111424975 XUJZGJXWQHZGAP-UHFFFAOYSA-N 319.321 -0.531 30 20 DBED N#Cc1cnc(NC2(CNC(=O)CNC(N)=O)CCC2)cn1 1111762439 VWZQOPHEEZOCAM-UHFFFAOYSA-N 303.326 -0.533 30 20 DBED C[C@H]1CN(C(=O)CCCC(N)=O)C[C@H]1N=c1cc[nH]c(C#N)n1 1112318482 QSGDNGYSSQCSLJ-WDEREUQCSA-N 316.365 -0.315 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)CC[C@H]2CCCO2)CC1 1112620648 IXXJVVFBFFTYKV-CYBMUJFWSA-N 308.382 -0.270 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)[C@H]2OCC[C@H]2C)CC1 1113357721 QOIFVOIHEIOKOM-MCIONIFRSA-N 307.394 -0.307 30 20 DBED C=CCN(CC=C)C(=O)CN1C[C@@H]2C(NC(=O)COC)[C@H]2C1 1113757916 OMPBXZNFHZPFJJ-STQMWFEESA-N 307.394 -0.120 30 20 DBED CCN(CCC#N)C(=O)CN1C[C@H]2[C@H](NC(=O)CCOC)[C@H]2C1 1113759308 BREKDLKFEWXIGV-VIKVFOODSA-N 322.409 -0.169 30 20 DBED CCOCC(=O)NC1[C@H]2CN(CC(=O)N(CC)CCC#N)C[C@H]12 1113818426 BQJAELQUHDLYHC-STQMWFEESA-N 322.409 -0.169 30 20 DBED C#CCOCCC(=O)NC1[C@@H]2CN(CC(=O)NCCCC)C[C@@H]12 1114266774 WFXWQDDICHMUII-ZIAGYGMSSA-N 321.421 -0.011 30 20 DBED CNC(=O)CC(=O)NC[C@H]1[C@@H]2CN(c3cnc(C#N)cn3)C[C@H]12 1114529740 DHQYISJYLLVDOR-CNDDSTCGSA-N 314.349 -0.717 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)c3cn(C)c(O)n3)[C@@H]2C1 1114772194 NJFVYTHNWNFFNN-NXEZZACHSA-N 319.365 -0.912 30 20 DBED C=CCCN1C[C@@H]2C(NC(=O)C(C)(C)NS(C)(=O)=O)[C@H]2C1 1114942156 IWOITCGFHHJXBI-QWRGUYRKSA-N 315.439 -0.063 30 20 DBED COC(=O)NCC(=O)N(C)C[C@H](C)N=c1cc[nH]cc1C#N 1115620444 CIDULJUXNMAQLS-JTQLQIEISA-N 305.338 -0.010 30 20 DBED N#C[C@H]1CN(C(=O)NC2CCC3(CC2)NC(=O)NC3=O)CCO1 1117430741 IGRRJYYDHOYGOK-XIRUVYRFSA-N 321.337 -0.559 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)C(=O)N(C[C@@H]2CCOC2)C2CC2)C1 1118182918 BFQYFCKMBXZFCZ-BLLLJJGKSA-N 321.377 -0.109 30 20 DBED CCc1nc(C#N)cc(N[C@H](CO)CNC(=O)[C@@H]2CCOC2)n1 1121171399 HKOJPGWGDMYPQU-PWSUYJOCSA-N 319.365 -0.164 30 20 DBED CN(C)CCOCC(=O)NC[C@@H](CO)Nc1ncccc1C#N 1121807362 SNVGSDCPTUWRBV-ZDUSSCGKSA-N 321.381 -0.580 30 20 DBED COCCO[C@@H](C)C(=O)NC[C@@H](CO)Nc1nccnc1C#N 1122012884 OOODRGQDEDHDPQ-QWRGUYRKSA-N 323.353 -0.711 30 20 DBED C#CCOCCC(=O)NC[C@H](CO)Nc1cnc(C#N)cn1 1122028127 LJVJUVXAHZXCAO-GFCCVEGCSA-N 303.322 -0.723 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)CCc2ccon2)nn1 1122234704 IRBZWADYXRILAP-GFCCVEGCSA-N 316.321 -0.142 30 20 DBED N#Cc1cncc(N[C@H](CO)CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)n1 1122635666 KDWJOVITBUQGJH-LOWDOPEQSA-N 317.349 -0.195 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H](CO)CNC(=O)CCc1cnc[nH]1 1122747215 HVYPXQJHYSKHPN-CYBMUJFWSA-N 314.349 -0.380 30 20 DBED C#CCN1CCn2ncc(CNC(=O)CCCC(N)=O)c2C1 1128599053 LQIRRJJOKGBYRP-UHFFFAOYSA-N 303.366 -0.396 30 20 DBED COCC#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H](C)C#N)C1 1128829756 JIQDRSKMYQQGFT-MCIONIFRSA-N 316.365 -0.571 30 20 DBED CNC(=O)NCC(=O)NCc1c[nH]nc1[C@H]1CCN(CC#N)C1 1130392562 OZXIYYHFSAHXJU-JTQLQIEISA-N 319.369 -0.732 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@H]1CCc2nc(C)[nH]c2C1 1130490366 BVCGDNHAWFJHLM-LBPRGKRZSA-N 319.409 -0.169 30 20 DBED CCOCCOCC(=O)N1C[C@H]2C[C@@H]3CN(CC#N)C[C@]2(C1)O3 1131291479 OXLPPVVWSWXGAB-IIAWOOMASA-N 323.393 -0.135 30 20 DBED C#CCCN1CC[C@@]2(C1)CN(C(=O)CNC(C)=O)C[C@@H](C)O2 1131625512 VGGJHAIQGHDQRG-CZUORRHYSA-N 307.394 -0.162 30 20 DBED C[C@@H](C[C@H](C)NC(=O)CCn1cncn1)NCC(=O)NCC#N 1133759319 ROKCJUGWDGEDKQ-RYUDHWBXSA-N 321.385 -0.819 30 20 DBED C#CCOCCC(=O)N[C@H](C)C[C@H](C)NCc1nc(O)n[nH]1 1134351309 FROIWVMKBJONCU-WDEREUQCSA-N 309.370 -0.077 30 20 DBED C=CCn1cc(C(=O)NCCNCCn2nc(C)nc2C)nn1 1134970120 QQLIKXBKYUXUNW-UHFFFAOYSA-N 318.385 -0.308 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)Cn1nc2ccccn2c1=O)NCC#N 1135167264 STBWVAIGERBWLQ-NWDGAFQWSA-N 316.365 -0.108 30 20 DBED CCO[C@@H]1C[C@H]1C(=O)N1CC2(CCN(CC(=O)NCC#N)C2)C1 1147079914 VNRQCADTWPROAH-CHWSQXEVSA-N 320.393 -0.415 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(CC(=O)NC(N)=O)CCCO1 1149639659 OOBNVDHWXXCKIW-LBPRGKRZSA-N 324.381 -0.808 30 20 DBED C=CCN1CCCO[C@@H](CNC(=O)CCCS(N)(=O)=O)C1 1150203501 QXNBJLWKQLJCTL-LBPRGKRZSA-N 319.427 -0.552 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)C1CCN(CC#C)CC1 1152330996 YQUXJBMBGOGUFL-AWEZNQCLSA-N 318.421 -0.825 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)c1ccnnc1C 1154179207 YDTRUAIAOMACKZ-LLVKDONJSA-N 318.381 -0.135 30 20 DBED C=CCN(CC)[C@H](C)CNC(=O)CN1CCS(=O)(=O)CC1 1156875675 HHAMPPKLLLEWHZ-CYBMUJFWSA-N 317.455 -0.271 30 20 DBED C=C[C@](C)(O)CC(=O)NCCCNCCNS(=O)(=O)CC 1157202201 QDNKLBIXMHCFJI-ZDUSSCGKSA-N 321.443 -0.651 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)c1cc(OC)ns1 1158323990 SMJATOPCCQCCSJ-SNVBAGLBSA-N 324.406 -0.001 30 20 DBED CC#CCNCC1(CCNC(=O)CNS(=O)(=O)CC)CC1 1165293676 RSKZYRQDZULVTM-UHFFFAOYSA-N 315.439 -0.175 30 20 DBED COCC#CCNCCCNC(=O)[C@@H]1CCc2nn[nH]c2C1 1171063396 CWIUUJBZFFENIH-GFCCVEGCSA-N 305.382 -0.345 30 20 DBED C#CCNC(=O)CNCCCNC(=O)COC[C@@H]1CCCO1 1177478790 ZJYVNDBGIKJHAV-ZDUSSCGKSA-N 311.382 -0.973 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC[C@H](NCCS(C)(=O)=O)[C@@H]1C 1178587181 BIQPXXHFUOBXJY-SGMGOOAPSA-N 318.439 -0.063 30 20 DBED C#CCCN[C@H]1CCN(C(=O)CCS(=O)(=O)NC)[C@H]1C 1178703836 FDNHILXVGUBJDQ-RYUDHWBXSA-N 301.412 -0.472 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)c2cnn(C)n2)[C@H]1C 1179714580 AQLWGWMGOVGYTN-SRVKXCTJSA-N 318.381 -0.854 30 20 DBED CCc1cnc(CC(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)[nH]1 1183369790 VOLRZLPAEDQFFQ-GFCCVEGCSA-N 318.381 -0.655 30 20 DBED C#CCNC(=O)CNCc1cn([C@H]2CCCN(C(C)=O)C2)nn1 1185821315 KUEGLSFPCWVUQP-AWEZNQCLSA-N 318.381 -0.700 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2ccnnc2)C1 1185881196 CXOFBGNXZQDKFZ-WCQYABFASA-N 303.366 -0.029 30 20 DBED COCC#CCN1C[C@@H]2CCN(C(=O)CN(C)C(C)=O)[C@@H]2C1 1186925033 OLFBRAQISCRKMD-LSDHHAIUSA-N 307.394 -0.353 30 20 DBED C=CCNC(=O)CN1C[C@@H]2CCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)[C@@H]2C1 1188867244 TZLPNBRIWGDSOC-ZHMBSYLPSA-N 319.405 -0.286 30 20 DBED N#CCNC(=O)CN1C[C@@H]2CCN(C(=O)Cc3cnoc3)[C@@H]2C1 1188909159 PEOCYWCPMKDTPI-QWHCGFSZSA-N 317.349 -0.610 30 20 DBED Cc1c[nH]nc1C(=O)N1CC[C@@H](N(C)CC(=O)NCC#N)C1 1190013177 AEZNWLPXVTXZJC-LLVKDONJSA-N 304.354 -0.496 30 20 DBED Cc1nn(C)cc1CN1C[C@@H](O)[C@H](NC(=O)CSCC#N)C1 1191162034 NSJMLQUIVYNFJD-CHWSQXEVSA-N 323.422 -0.353 30 20 DBED C#CCCN(C)[C@H]1CCN(C(=O)CN2C(=O)NC(=O)C2(C)C)C1 1193244817 TXPKZZAYBFOYMZ-LBPRGKRZSA-N 320.393 -0.127 30 20 DBED COCC#CCN1CCCN(C(=O)CCn2ccnn2)CC1 1195620723 PKTKONJIXQWXOS-UHFFFAOYSA-N 305.382 -0.148 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCCN(CC(=O)NCC#N)CC1 1195652217 LTHBZTYBFIAPKO-OAHLLOKOSA-N 308.382 -0.512 30 20 DBED C=CCC1(C(=O)N[C@@H]2CN(CC(=O)NC(N)=O)C[C@H]2O)CCC1 1195897302 ZHDVFAUXIPUPRO-GHMZBOCLSA-N 324.381 -0.911 30 20 DBED C=CCN1CCCN(C(=O)[C@@H](CCC(N)=O)NC(C)=O)CC1 1197460406 DPJCIWPJMLNWJX-CYBMUJFWSA-N 310.398 -0.523 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H](NC(N)=O)C(C)(C)C)C1 1197812174 HLGWOXDIWOIWCR-IJLUTSLNSA-N 310.398 -0.746 30 20 DBED C#CCNC[C@H]1CN(C(=O)c2ccn(C)c(=O)c2)CCCO1 1200824572 OSYADAUJXKQWBG-AWEZNQCLSA-N 303.362 -0.161 30 20 DBED N#CCNC[C@@H]1CN(C(=O)CNC(=O)c2ccco2)CCCO1 1201999494 YBASYPMCXMXWHL-GFCCVEGCSA-N 320.349 -0.260 30 20 DBED COCC#CCNCC1CCN(C(=O)[C@H]2CN(C)CCO2)CC1 1204876408 VLQKXHIAUIFIQJ-MRXNPFEDSA-N 323.437 -0.205 30 20 DBED N#CCNC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2CCCCO2)C1 1207808399 YRDCVPDRTSLSLW-STQMWFEESA-N 308.382 -0.224 30 20 DBED Cc1cncn1CC(=O)N1CCC[C@@H](NCC(=O)NCC#N)C1 1208570032 WPNFLANFJNKOTM-CYBMUJFWSA-N 318.381 -0.588 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)c2[nH]c(C)nc2C)C1 1209679164 QUABXSRWQGXHFF-ZDUSSCGKSA-N 317.393 -0.030 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)[C@]1(C)CCOC1 1209732063 KMCANKLVXXAEPI-LALPHHSUSA-N 308.382 -0.511 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)C23CCN(CC2)C3)[C@H](C)C1 1210330282 UOHPFYDCUFKMHW-ZIAGYGMSSA-N 318.421 -0.732 30 20 DBED CC#CCN[C@@H]1CCCN(C(=O)Cn2nc(C)n(C)c2=O)C1 1210898676 AUZMTDBOMGDBAI-CYBMUJFWSA-N 305.382 -0.506 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)C23CCN(CC2)C3)C[C@H]1C 1216405374 JXGLACMALKFDDO-ZIAGYGMSSA-N 320.437 -0.179 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(Cc2cccc(OC)n2)C[C@@H]1O 1219362156 RTUYNDYTVFBCHS-KGLIPLIRSA-N 321.377 -0.046 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(C[C@H](O)Cn2cccn2)C[C@@H]1O 1219573556 WQTBUHVYVWHJNI-ZNMIVQPWSA-N 320.393 -0.935 30 20 DBED Cn1ncnc1COCC(=O)NCC1CCN(CC#N)CC1 1225045785 ALHSVEOZSUSDSD-UHFFFAOYSA-N 306.370 -0.317 30 20 DBED CC#CCN1CCC(CNC(=O)CC[C@@H]2NC(=O)NC2=O)CC1 1225378481 UIOIRVFDVWCMBX-ZDUSSCGKSA-N 320.393 -0.174 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)CO[C@H]2CCOC2)CC1 1227352712 ISGIDAQMXZSJJH-AWEZNQCLSA-N 323.393 -0.878 30 20 DBED C=CCOCCN1CCC(NC(=O)[C@@H]2CN(C)C(=O)N2)CC1 1228597850 WNSDSTUZMMQPDI-ZDUSSCGKSA-N 310.398 -0.207 30 20 DBED Cc1cc(C(=O)N(C)C[C@@H]2CCN2CC(=O)NCC#N)nn1C 1230916008 KPJNYFAAOFHFBC-LBPRGKRZSA-N 318.381 -0.485 30 20 DBED C#CCC[C@H](O)CNC(=O)NCC1CCS(=O)(=O)CC1 1322566195 YQXCCCPYQGZWRZ-LBPRGKRZSA-N 302.396 -0.115 30 20 DBED N#CCCCNC(=O)C(=O)NCCCN1CCC[C@H](C(N)=O)C1 1322607444 GISGPUAUDAJBGI-LBPRGKRZSA-N 323.397 -0.890 30 20 DBED CCn1nc(C)c(CNC(=O)C(=O)N2CCO[C@H](C#N)C2)c1C 1324295868 DICZWHKJMFCUDU-GFCCVEGCSA-N 319.365 -0.113 30 20 DBED C#CCC[C@H](O)CNC(=O)C(=O)Nc1c(C(=O)OC)cnn1C 1324514366 RQQSQYWMALWYIQ-VIFPVBQESA-N 322.321 -0.964 30 20 DBED C[C@]1(C(N)=O)CCN(C(=O)C(=O)Nc2ccn(CCC#N)n2)C1 1325051624 QEKYFBYVYUBFOA-AWEZNQCLSA-N 318.337 -0.541 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)NC1CCN(C(=O)OC)CC1 1329246692 BORXPQBVRHPYGP-JTQLQIEISA-N 313.354 -0.349 30 20 DBED C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1CCO[C@@H](C#N)C1 1329644185 LAKJDRDVGRRAOT-WXHSDQCUSA-N 306.366 -0.664 30 20 DBED C#C[C@H](NC(=O)C(=O)NCc1cn(CC)nn1)[C@H]1CCCO1 1330998300 KCSZIWWQUMIYJO-NWDGAFQWSA-N 305.338 -0.789 30 20 DBED C#CCN1CCC[C@H](NC(=O)C(=O)Nc2cc(OC)n[nH]2)C1 1331409921 QYYULPHYZIWGGL-JTQLQIEISA-N 305.338 -0.429 30 20 DBED Cc1noc([C@H](C)N(C)C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)n1 1332978294 IGZUCAFUESZMLT-XPTSAGLGSA-N 321.337 -0.226 30 20 DBED N#Cc1ccc(CCNC(=O)C(=O)NCCn2cncn2)cc1 1350655272 FLPMRBXQSVWSQP-UHFFFAOYSA-N 312.333 -0.375 30 20 DBED C=CCn1c([C@@H]2CNC(=O)C2)nnc1N(C)CCC(=O)NC 1355379676 OPLPGPYMWDDXHX-JTQLQIEISA-N 306.370 -0.360 30 20 DBED CC(C)(CNC(=O)Cn1cnc(C#N)n1)C1(O)CCOCC1 1362789117 NIRKYQJOELIBRY-UHFFFAOYSA-N 307.354 -0.166 30 20 DBED CO[C@H](C(=O)NCCN1CCN(C(=O)[C@@H](C)C#N)CC1)C1CC1 1372214814 WLLYREQGBHNRPD-JSGCOSHPSA-N 322.409 -0.169 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](C)CN(C)C(=O)CN1CCCNC1=O 1382098117 VGZSSKRBMZWMJT-WDEREUQCSA-N 309.370 -0.476 30 20 DBED CCc1cnc(O)c(C(=O)NC[C@H](O)CNC(=O)[C@H](C)C#N)c1 1389131022 UFLWGRCPYPCEFI-MWLCHTKSSA-N 320.349 -0.284 30 20 DBED C[C@H](C#N)C(=O)NCCN1CCN(CCN2CCCC2=O)CC1 1398264274 DQVYALCUGXJULJ-CQSZACIVSA-N 321.425 -0.498 30 20 DBED C[C@@H](C(=O)NCCN(C(=O)[C@H](C)C#N)C1CC1)S(C)(=O)=O 1398338989 VZLVGNPPJVRBOE-ZJUUUORDSA-N 315.395 -0.314 30 20 DBED C[C@H](C#N)C(=O)N1CCCO[C@H](CNC(=O)Cn2cccn2)C1 1406039444 ZCTCUNKEOOCISF-CHWSQXEVSA-N 319.365 -0.224 30 20 DBED CCc1n[nH]cc1C(=O)N(C)C[C@@H](O)CNC(=O)[C@H](C)C#N 1413287964 FJUPGNAMVOIODO-ZJUUUORDSA-N 307.354 -0.319 30 20 DBED C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)NC[C@H](O)Cn1cccn1 1419708016 BIPHWMPEKJHHFY-AAEUAGOBSA-N 316.365 -0.148 30 20 DBED C[C@H](CNC(=O)[C@@H]1CCC(=O)N1)N(C)C(=O)c1c[nH]c(C#N)c1 1424241360 VIBJEATUFZAKOT-SKDRFNHKSA-N 317.349 -0.258 30 20 DBED CNC(=O)NCC(=O)N1CCC(CNC(=O)[C@@H](C)C#N)CC1 1429709707 JOKWVPUGFYLPSU-JTQLQIEISA-N 309.370 -0.570 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CNC(=O)Cc2nc[nH]n2)CC1 1429720222 CWLUDFCFVVJXNX-SNVBAGLBSA-N 304.354 -0.138 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1cc(C2CC2)no1 1431543425 UKNFKWBEDLIQNK-WCBMZHEXSA-N 306.322 -0.081 30 20 DBED CC(=O)NCC(=O)N1CC[C@@](C)(NC(=O)c2cc(C#N)c[nH]2)C1 1432540913 PHWBGHPXBXPDSM-OAHLLOKOSA-N 317.349 -0.257 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1ncc2ccccn12 1433309881 QKFUDFMMOICTHI-PWSUYJOCSA-N 315.333 -0.299 30 20 DBED CCc1nnc(N2CCO[C@H](C#N)C2)n1Cc1nncn1C 1434653968 UJWMHNPAGDPWJN-SNVBAGLBSA-N 302.342 -0.254 30 20 DBED CC(=O)NCC(=O)N1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@H]1C 1451602757 ZHCPSADPQIAOSU-NOZJJQNGSA-N 317.349 -0.258 30 20 DBED C[C@H](CCNC(=O)c1cnn(C)n1)NC(=O)c1c[nH]c(C#N)c1 1455067230 QEPIGROKODEKKS-SECBINFHSA-N 315.337 -0.047 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)CCc1ccc(O)nc1 1458028146 WPUSMWLNWYBLPC-PWSUYJOCSA-N 320.349 -0.527 30 20 DBED CC(C)(C#N)CS(=O)(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 1463997204 BLMBLXRVFFGBTO-SECBINFHSA-N 309.413 -0.511 30 20 DBED C[C@H](NC(=O)Cn1cc(C#N)c(O)nc1=O)[C@@H]1CCCOC1 1466325583 GSKNECWNENKYJF-VHSXEESVSA-N 306.322 -0.248 30 20 DBED CC(C)C[C@@H]1C(=O)NCCN1c1[nH]c(=O)n(C)c(=O)c1C#N 1472761433 AJCVQNLWJJSNNQ-SNVBAGLBSA-N 305.338 -0.704 30 20 DBED CSC[C@H](C)NC(=O)NCCn1cc(C#N)c(O)nc1=O 1477950040 DHVUEDGYKRTJAX-QMMMGPOBSA-N 311.367 -0.129 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CCN(C(=O)CS(C)(=O)=O)C1 1495154747 YPXKIQMJMSGHAM-UWVGGRQHSA-N 301.368 -0.845 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@H](NC(=O)c2cc(CC)[nH]n2)C1 1566655279 IDYZYRLXRRAOJF-YPMHNXCESA-N 317.393 -0.086 30 20 DBED C=C(Br)CNC[C@H](O)CNC(=O)CNC(=O)O 1573322434 YVAMFJFGLBJWBH-ZETCQYMHSA-N 310.148 -0.771 30 20 DBED C=CCNC(=O)CN1[C@H]2CC[C@H]1CN(C(=O)CNC(=O)O)C2 1573368713 PPPUUSDRIYNNKN-QWRGUYRKSA-N 310.354 -0.769 30 20 DBED C=CC1(CC(=O)N2CCO[C@@]3(CCS(=O)(=O)C3)C2)CNC1 1574879991 IRXMQSTUFXKGKJ-AWEZNQCLSA-N 314.407 -0.432 30 20 DBED CNC[C@H](O)[C@H](C)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 1578640356 GXIJBYKZJWGJGB-JSGCOSHPSA-N 317.393 -0.182 30 20 DBED CN(c1[nH]c(=O)n(C)c(=O)c1-c1nn[nH]n1)[C@H]1CCC[C@@H]1C#N 1579266057 BTCTYFOZEJQYLG-SFYZADRCSA-N 316.325 -0.618 30 20 DBED N#Cc1ccncc1N1CCN(C(=O)CN2CCNCC2)CC1 1580081117 TXWOWDYYMBGZAP-UHFFFAOYSA-N 314.393 -0.493 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N1C[C@@H](C)[C@H](C(=O)O)C1 1588447682 OBWIAJIVSXYQEQ-VXGBXAGGSA-N 310.350 -0.336 30 20 DBED C#CCN(C(=O)c1cc(C(=O)O)on1)[C@@H]1CCS(=O)(=O)C1 1588461641 WLTNSUPCVVJWBF-MRVPVSSYSA-N 312.303 -0.365 30 20 DBED C=CCCNC[C@@H](O)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 1588609203 LHCHRITWELXLJJ-SNVBAGLBSA-N 305.342 -0.549 30 20 DBED C=CCCC(=O)N1CC(CCO)(NC(=O)[C@@H]2C[C@H]2C(=O)O)C1 1588773664 DGQDDSNYXWDNBB-GHMZBOCLSA-N 310.350 -0.247 30 20 DBED COC[C@]1(C(=O)O)CN(C(=O)c2cccc(C#N)n2)CCO1 1593981508 YFRZPZMJDHTVKX-AWEZNQCLSA-N 305.290 -0.105 30 20 DBED N#Cc1ccc(CC(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)O)cn1 1601098817 YSBHXKIBVHGFHR-LLVKDONJSA-N 323.330 -0.794 30 20 DBED N#Cc1cccn(CN2CC[C@H](n3cc(C(=O)O)nn3)C2)c1=O 1601127041 AFLUCSQXLHNBPZ-NSHDSACASA-N 314.305 -0.086 30 20 DBED C=CCOC[C@@H](NC(=O)[C@@H]1CCc2nnn(C)c2C1)C(=O)O 1602910230 RANSNSUYPJPQSN-MWLCHTKSSA-N 308.338 -0.308 30 20 DBED CCN(CCNC(=O)[C@H](C)C#N)c1nccnc1-c1nn[nH]n1 1604303409 WYUKWSDFKGPEQN-SECBINFHSA-N 315.341 -0.241 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CCCN(CC(=O)NC(N)=O)C1 1664990044 ORPTVWNGPGAPNO-YGRLFVJLSA-N 312.370 -0.911 30 20 DBED CCCN1CCC[C@@H]1C(=O)N[C@H]1CCN(CC(=O)NCC#N)C1 1690093437 YGCNBAHJZNZJII-UONOGXRCSA-N 321.425 -0.309 30 20 DBED C#CCNC(=O)CN1CCC[C@@H](CNC(=O)c2cn[nH]c2)C1 1752780060 ZXZSAJKXMWEHEH-LBPRGKRZSA-N 303.366 -0.399 30 20 DBED C#CCN(C)C[C@@H]1CCN(C(=O)CCNS(C)(=O)=O)C1 1753351254 CXJCMHLXHGWTLD-LBPRGKRZSA-N 301.412 -0.661 30 20 DBED C#CCCCC(=O)N1C[C@@H]2C[C@H]1CN2CCN1C(=O)CNC1=O 1753420402 VXLBRSAJUFFVHU-STQMWFEESA-N 318.377 -0.373 30 20 DBED C#CCNC(=O)CN1CCO[C@@H](CNC(=O)c2cc[nH]c2)C1 1753648425 GCZCSWFPRMKZOJ-ZDUSSCGKSA-N 304.350 -0.805 30 20 DBED C=CCNC(=O)CN1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1cn(CC)nn1 1754429380 LTAVAWIAWDTNAI-SCDSUCTJSA-N 318.381 -0.597 30 20 DBED Cc1noc(C)c1C(=O)NC[C@@H]1CCN1CC(=O)NCC#N 1754472228 MULZQUNZKVXQAN-NSHDSACASA-N 305.338 -0.265 30 20 DBED Cn1ncc(C2CC2)c1C(=O)NC[C@@]1(O)CCN(CC#N)C1 1754755375 VSAGQMCKWRSJAO-HNNXBMFYSA-N 303.366 -0.012 30 20 DBED C=C(C)CCC(=O)NCC1(O)CN(CCS(C)(=O)=O)C1 1754768183 DPEBJIAVPQJPIY-UHFFFAOYSA-N 304.412 -0.450 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](CNC(=O)[C@@H](CC)OCC)[C@H]2C1 1755418745 YNLSKKZLFSHFDX-APIJFGDWSA-N 321.421 -0.155 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1[C@@H]2CN(Cc3nnn(C)n3)C[C@@H]12 1755419731 HRDFQNBXTXZWQL-HUBLWGQQSA-N 320.397 -0.669 30 20 DBED C#CCN1CCCC2(C1)CN(C(=O)CCCS(N)(=O)=O)C2 1755457810 SXHCQQNCFWAMKA-UHFFFAOYSA-N 313.423 -0.387 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H](CO)CNC(=O)C1CCOCC1 1755621447 OHGGLGISSAFRKJ-WCQYABFASA-N 313.398 -0.830 30 20 DBED C=CCCO[C@H](C)C(=O)NCC1[C@H]2CN(C(=O)CC(N)=O)C[C@H]12 1756191957 GJRKKPRMZBVWQL-RAIGVLPGSA-N 323.393 -0.336 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H](CO)CNC(=O)c1ccccn1 1756501733 YZFDFYOAPSWZMX-NWDGAFQWSA-N 305.334 -0.673 30 20 DBED C=CCOCC(=O)NC[C@@H](CO)NC(=O)c1cc(C)n(C)n1 1756518919 PCOFGWNMTJSHQQ-NSHDSACASA-N 310.354 -0.862 30 20 DBED C=C[C@H](CC)CC(=O)N[C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1O 1757025771 RDJBNDIHMPNUBG-NQBHXWOUSA-N 321.381 -0.281 30 20 DBED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)CC3(O)CCC3)C2)C1 1784828198 AOKBECHNJNHKBB-MRXNPFEDSA-N 306.362 -0.245 30 20 DBED C=CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)NC=O)[C@H]2C1 1789883183 GKVYVDMLMYMPFX-RFGFWPKPSA-N 323.393 -0.323 30 20 DBED N#CC1(C(=O)N2CC3(CCCN3C(=O)COCCO)C2)CC1 1845211553 IGEJTFZGAIQFEP-UHFFFAOYSA-N 307.350 -0.498 30 20 DBED CC(C)(C#N)C(=O)N1CC2(CCCN2C(=O)CNC(N)=O)C1 1847104677 DVUCSRAGTLZGCL-UHFFFAOYSA-N 307.354 -0.592 30 20 DBED C=CCN(CC=C)C(=O)CN1CCN(CC(=O)NCC)CC1 44739390 MNVRMZMRWXIXAP-UHFFFAOYSA-N 308.426 -0.059 30 20 DBED COC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1C#N 157086430 QIPATPWGWMLPIQ-QWRGUYRKSA-N 310.331 -0.145 30 20 DBED C=CCNC(=O)[C@@H](C)Nc1cnn(CC(=O)NCCOC)c1 186340344 PSIVPVHQMKIJFY-LLVKDONJSA-N 309.370 -0.252 30 20 DBED CC(=O)NCCN([C@H](C)C(=O)O)S(=O)(=O)CC1(C#N)CC1 262392398 ITMFHWIZZLPDRE-SECBINFHSA-N 317.367 -0.469 30 20 DBED COC(=O)CNS(=O)(=O)c1cccc(NC(=O)CC#N)c1 274751957 PNZOWEUNTLPUSM-UHFFFAOYSA-N 311.319 -0.010 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)CNS(=O)(=O)CC)C1=O 281595509 CVGAQVVUMLZOGT-JTQLQIEISA-N 303.384 -0.829 30 20 DBED C=CCN1CC[C@H](N(C)S(=O)(=O)CCCOC(C)=O)C1=O 287300600 JNCZNPROXWJNEF-LBPRGKRZSA-N 318.395 -0.012 30 20 DBED Cn1c(=O)ccn(CC(=O)Nc2[nH]nc(C3CC3)c2C#N)c1=O 290310808 CUJBPTDCXKGLEB-UHFFFAOYSA-N 314.305 -0.342 30 20 DBED COC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)Cc1ccc(C#N)cc1 317568461 VZIGSTLATPGGTO-STQMWFEESA-N 324.358 -0.004 30 20 DBED CC(C)N1C[C@H](/N=C(/O)N2CCN3C(O)=NC[C@H]3C2)CC1=O 329783524 VEMMIPWKJZUWMK-MNOVXSKESA-N 309.370 -0.177 30 20 DBED C=CCN(C(=O)CN(C)S(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 330473241 QDXVBMLHMNNTMI-SNVBAGLBSA-N 324.424 -0.921 30 20 DBED N#CCNC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 330531327 SEYZWGMFUGGDBG-UHFFFAOYSA-N 322.346 -0.940 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N2C[C@@H]3[C@H]4CC[C@@H](O4)[C@H]3C2)CCO1 337084989 CZECIMXGBBOGGJ-KSSYENDESA-N 313.379 -0.435 30 20 DBED CCN(CCC#N)S(=O)(=O)NCCSCC(=O)OC 337092305 MFCCWUPMKVEDJS-UHFFFAOYSA-N 309.413 -0.037 30 20 DBED Cc1cccc(CCNS(=O)(=O)N2CCO[C@@H](C#N)C2)n1 337180567 MFWQOJPRQNAQJU-ZDUSSCGKSA-N 310.379 -0.009 30 20 DBED CNC(=O)[C@@H](CCSC)NS(=O)(=O)N(C)CCC#N 341660346 QIDXHHPLGXLVHD-SECBINFHSA-N 308.429 -0.466 30 20 DBED C=CCOC[C@H]1NC(=O)N(C[C@@H]2CCCS(=O)(=O)C2)C1=O 348963183 YZYLOHFUJHQDLF-WDEREUQCSA-N 316.379 -0.066 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1C[C@@H]2CCS(=O)(=O)[C@H]2C1 353136115 JUYGXOZSNXIEOX-DCAQKATOSA-N 315.395 -0.494 30 20 DBED CNC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2C#N)CCO1 368075872 NEDJVUMVYMJXFU-LLVKDONJSA-N 309.347 -0.306 30 20 DBED N#Cc1ccc(S(=O)(=O)N2CCO[C@H](C(N)=O)C2)s1 408402949 JURQMHNNUPEANZ-QMMMGPOBSA-N 301.349 -0.505 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CCC[C@H](CNC)C2)nn1 424549079 QUJCDSXVZJGQBD-GFCCVEGCSA-N 320.397 -0.462 30 20 DBED Cc1cccc(NC(=O)C(=O)NCCOCC(N)=O)c1C#N 441882382 LIJNMECMTKFLQT-UHFFFAOYSA-N 304.306 -0.577 30 20 DBED C#C[C@@H](C)N(C)CC(=O)N(CCOC)[C@@H]1CCS(=O)(=O)C1 491497753 ZXLBKFVJAOVMEG-CHWSQXEVSA-N 316.423 -0.398 30 20 DBED C#CCN1CCN(C(=O)CN[C@H](CO)C2CCOCC2)CC1 491788245 WZPPRVUYYNPDLS-OAHLLOKOSA-N 309.410 -0.859 30 20 DBED CCOC[C@@H](NS(=O)(=O)N(CCC#N)CCOC)C(=O)O 566311394 BYECXUPAOAWMCP-SNVBAGLBSA-N 323.371 -0.827 30 20 DBED CN(CCC#N)S(=O)(=O)N(C)C1(C(=O)O)CCOCC1 569656041 GUVWUPPASXKRAN-UHFFFAOYSA-N 305.356 -0.358 30 20 DBED Cc1cc(=NCCN2CCN(S(C)(=O)=O)CC2)c(C#N)c[nH]1 591818200 ZHCZWXKVAKFYNH-UHFFFAOYSA-N 323.422 -0.327 30 20 DBED COc1ccc(F)cc1S(=O)(=O)NCC(=O)NCC#N 592052247 AJYFXKQLXPVCBK-UHFFFAOYSA-N 301.299 -0.248 30 20 DBED COC(=O)CCN1CC[C@H](Nc2ccn(CCC#N)n2)C1=O 594732301 XGRBTCBLIWDMHO-NSHDSACASA-N 305.338 0.373 30 20 DBED COC(=O)C[C@H](O)CNS(=O)(=O)c1ccc(F)cc1C#N 599461875 JGUAUZTWTJGBOA-JTQLQIEISA-N 316.310 -0.100 30 20 DBED CN(C)C1(CS(=O)(=O)NC2CCN(CC#N)CC2)CC1 601340581 VDBUZEGFSCXMDB-UHFFFAOYSA-N 300.428 -0.012 30 20 DBED C[C@H](NC(=O)C(=O)N1CCN(CCC#N)CC1)c1ccn(C)n1 602276882 NKJCPEHCSWQUDF-LBPRGKRZSA-N 318.381 -0.345 30 20 DBED CS(=O)(=O)N1CCN(CCN[C@H]2CC[C@@H](C#N)C2)CC1 619672732 XRYBYXODMJSFKK-OLZOCXBDSA-N 300.428 -0.155 30 20 DBED N#Cc1cccc(CNC(=O)COC(=O)C2=NNC(=O)CC2)c1 746531919 IPFSNKJAWGPFPI-UHFFFAOYSA-N 314.301 -0.016 30 20 DBED CC[C@@H](C#N)OC(=O)CNS(=O)(=O)c1cn(C)c(C)n1 781175943 RLJSINSETYDQQZ-VIFPVBQESA-N 300.340 -0.148 30 20 DBED N#Cc1ccc(CNC(=O)CCN2CCCS2(=O)=O)nc1 782020553 UQXVUZCCMBDKQJ-UHFFFAOYSA-N 308.363 -0.005 30 20 DBED C#C[C@H](NC(=O)C(=O)NCCCc1cnn(C)c1)[C@H]1CCCO1 804377294 YNGSHXSQKIRBQK-UONOGXRCSA-N 318.377 -0.234 30 20 DBED C#CCCCNC(=O)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O 806916926 WZYYYMMOEJMGGB-LBPRGKRZSA-N 317.349 -0.829 30 20 DBED CNS(=O)(=O)[C@@H]1CCCN(C(=O)[C@@](C)(C#N)CC(=O)O)C1 820640472 AULBUZHKEHWNAT-BXKDBHETSA-N 317.367 -0.469 30 20 DBED CN(C)S(=O)(=O)c1ccc(C(=O)N[C@H]2CNC[C@H]2C#N)o1 834516370 ICLBBXFHAHUUJW-BDAKNGLRSA-N 312.351 -0.629 30 20 DBED C#CCCN1CCN(C(=O)[C@@H]2CCc3nnnn3CC2)CC1 845364281 ZAKVGGJQDATIKJ-CYBMUJFWSA-N 302.382 -0.207 30 20 DBED CCCCCNC(=O)[C@H](C#N)C(=O)Cn1nc(C)n(C)c1=O 847622783 TVRKEIDJHCXNHS-LLVKDONJSA-N 307.354 -0.095 30 20 DBED C=CCN(CC=C)C(=O)COC(=O)Cn1nc(C)n(C)c1=O 848846168 NQRBSMFJYCEDPF-UHFFFAOYSA-N 308.338 -0.366 30 20 DBED C#CCNC(=O)[C@@H](C)OC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 860040637 ODJRJAQLIHSICY-MNOVXSKESA-N 316.379 -0.661 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@H](NC(=O)[C@@H]3COCCO3)C2)c1 937699050 LTWDVBIKKXLXAC-AAEUAGOBSA-N 318.333 -0.368 30 20 DBED O=C1NCCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C#CC2CC2)C1 938110548 QTIYJRHTUUNVJD-QWHCGFSZSA-N 303.362 -0.357 30 20 DBED Cc1ncn(C)c1C(=O)NC[C@@H]1CN(C(=O)[C@H](C)C#N)CCO1 944635264 MTQYCDYEEUVMGG-ZYHUDNBSSA-N 319.365 -0.155 30 20 DBED Cn1cc(C(=O)NC[C@H]2CCN2C(=O)c2cc(C#N)c[nH]2)nn1 949718538 PGADFLIJAXOPLM-SNVBAGLBSA-N 313.321 -0.341 30 20 DBED CN1CCO[C@H](C(=O)N[C@H]2CCCN(C(=O)C#CC3CC3)C2)C1 950758383 HZEZBCIRJUXFCX-GJZGRUSLSA-N 319.405 -0.162 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1nc[nH]n1 952174795 TUCUPTMUTIIFOB-AXFHLTTASA-N 305.338 -0.274 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1nnn(C)n1 952178762 IBGHGBRXIMNDHI-MXWKQRLJSA-N 320.353 -0.868 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@]2(CCN(C(=O)CC(N)=O)C2)C1 952875420 OJLKCAUPOJXMHY-XHDPSFHLSA-N 306.366 -0.137 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@]2(CCN(C(=O)Cc3nc[nH]n3)C2)C1 953210317 IWTQNLMQPBYLMG-NHYWBVRUSA-N 316.365 -0.042 30 20 DBED COc1ccc(C(=O)N(C)C2CN(C(=O)[C@H](C)C#N)C2)nn1 955300134 PCHJQPIQMJMVFS-SECBINFHSA-N 303.322 -0.072 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@H]2C[C@H]2C(N)=O)C1 955350148 QCENYHJKLPLRQG-NDBYEHHHSA-N 321.377 -0.632 30 20 DBED C=CCN1C[C@@H](O)[C@H](CNC(=O)c2nnn(C(C)(C)C)n2)C1 958076569 HWZXWKROIFWEKZ-GHMZBOCLSA-N 308.386 -0.363 30 20 DBED CC#CCN1C[C@@H](O)[C@@H](CNC(=O)c2ccoc2CC(N)=O)C1 958350591 SEYOKAQKZOXJOJ-WCQYABFASA-N 319.361 -0.647 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cnns2)C1 958663186 MLABOSRCJRTYBC-CIUDSAMLSA-N 309.351 -0.659 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C#N)c[nH]2)C1 958799822 XZKVNTMLSNDQIJ-XDTLVQLUSA-N 315.333 -0.310 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]c(C#N)c2)C1 958828580 MCYVRWGCAHEDCW-ICCXJUOJSA-N 315.333 -0.310 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)c2cncc(F)c2)C1 962211435 CDDJCMJJOSDACH-FXAINCCUSA-N 306.297 -0.318 30 20 DBED CC[C@@H](F)C(=O)N1C[C@H](O)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 962392663 WDMONLONKQMGMT-UTUOFQBUSA-N 308.313 -0.064 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@H](NC(=O)c2cnnn2C)C1 962608060 BMYQDXUGWKEION-KOLCDFICSA-N 307.354 -0.671 30 20 DBED C[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1NC(=O)Cn1cnnc1O 966397707 IGNHLDWWCFAGJA-JQWIXIFHSA-N 317.349 -0.640 30 20 DBED C=CCN1CC[C@@H](C)[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)C1 968626627 BVMNHHDRZCDHJJ-NEPJUHHUSA-N 308.382 -0.107 30 20 DBED C[C@@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)[C@@H]1CCCNC1=O)C2 969817069 HJLIMOJGQQVGNK-ZDEQEGDKSA-N 318.377 -0.126 30 20 DBED C#Cc1cncc(C(=O)N[C@H]2C[C@@H](NC(=O)c3nc[nH]n3)C2)c1 974368822 NAUMABCRTMIROM-TXEJJXNPSA-N 310.317 -0.128 30 20 DBED COCCn1nccc1C(=O)NC[C@H]1[C@@H]2CN(CC#N)C[C@H]12 978342859 GHHJNZJYARUFMG-XYYAHUGASA-N 303.366 -0.039 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2[C@@H]3CN([C@@H](C)C(N)=O)C[C@H]23)nc1 978993525 QLYJPDDVNPBYTD-DOERSZECSA-N 312.373 -0.156 30 20 DBED C#CCN1C[C@@H]2CC[C@H](NC(=O)Cn3c(O)nnc3O)C[C@H]2C1 980231315 MGHCVUHVIHDXPM-SRVKXCTJSA-N 319.365 -0.461 30 20 DBED C=C(C)CN[C@@H]1CCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)[C@H]1C 987103403 HIWWFQYIDLABIT-WDEREUQCSA-N 322.365 -0.438 30 20 DBED CC#CCN1CCC[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)[C@H]1C 994214595 UXIZYEYJRLFMAK-CHWSQXEVSA-N 320.393 -0.127 30 20 DBED C[C@H](C#N)C(=O)N1CC(NC(=O)[C@H]2CCn3ccnc3C2)C1 994605405 XAYPOMYDBIRXST-MNOVXSKESA-N 301.350 -0.068 30 20 DBED COc1ccnc(O)c1C(=O)NC1CN(C(=O)[C@H](C)C#N)C1 996479585 JEANPMMWGCALBL-MRVPVSSYSA-N 304.306 -0.104 30 20 DBED C#CCCN1CC[C@@H](n2cc(CNC(=O)c3nc[nH]n3)nn2)C1 1000030173 RJEDKVQHTRNMBC-GFCCVEGCSA-N 314.353 -0.404 30 20 DBED C=C(C)CN[C@H]1CCCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)C1 1000364646 AJIUZSDYFRYEMJ-NSHDSACASA-N 322.365 -0.436 30 20 DBED C=CCn1cc(C(=O)N2CC(CNC(=O)[C@H]3CCOC3)C2)nn1 1001135699 PQITUZJDUZKGSU-LBPRGKRZSA-N 319.365 -0.311 30 20 DBED N#Cc1c[nH]c(C(=O)NCC2CN(C(=O)[C@H]3CCNC3=O)C2)c1 1001347810 SXEMSYWRUZLHGM-NSHDSACASA-N 315.333 -0.789 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC(CNC(=O)c2ncc[nH]2)C1 1001779090 FCOPFNDOLUYLIF-ZDUSSCGKSA-N 315.377 -0.305 30 20 DBED C[C@H](C#N)C(=O)N1CC(CNC(=O)[C@H]2CCS(=O)(=O)C2)C1 1003183659 WJMLRIWQOGEHDB-KOLCDFICSA-N 313.379 -0.845 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC(CNC(=O)[C@H]3CCNC3=O)C2)c1 1003552889 FGTITLSMJHCTRO-NSHDSACASA-N 315.333 -0.789 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCN(C(=O)CC(N)=O)[C@@H]2C)nn1 1011586967 XOWKSEYIAKSOMG-NXEZZACHSA-N 320.353 -0.941 30 20 DBED C[C@@H](C#N)C(=O)N1CC=C(CNC(=O)[C@H]2CNC(=O)N2)CC1 1017688413 KHYXQTXUWNORGJ-GXSJLCMTSA-N 305.338 -0.898 30 20 DBED C[C@H](C#N)C(=O)N1CCC2(CN(C(=O)[C@@H]3COCCN3C)C2)C1 1018954994 RNDZIRITJQEUSP-OLZOCXBDSA-N 320.393 -0.462 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](NCCN2CCNC2=O)C1 1020604714 LJWMXZQIDQIYRH-SYQHCUMBSA-N 322.409 -0.161 30 20 DBED C=CCn1cc(C(=O)N[C@H]2C[C@H](NCc3cnn(C)n3)C2)nn1 1020700593 WHVDBWURGPWLIF-XYPYZODXSA-N 316.369 -0.357 30 20 DBED C#CCN[C@H]1C[C@@H](NC(=O)c2ccc(=O)n(CCOC)n2)C1 1022395774 OJYAZNCUMGOUPH-TXEJJXNPSA-N 304.350 -0.627 30 20 DBED COCCn1cc(C(=O)NC[C@@H]2CCCN(CC#N)C2)nn1 1023359764 AQUNYPCSFGFADC-LBPRGKRZSA-N 306.370 -0.110 30 20 DBED CN1CC[C@H](C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2O)C1 1023782688 XBWGIAPICLIYOT-BFHYXJOUSA-N 305.378 -0.961 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ncc(F)cc2F)C1 1024506171 LOKUYRFZEHOYPN-WHGOUJPWSA-N 324.287 -0.179 30 20 DBED C=C1CCC(C(=O)N[C@@H]2CN(C(=O)CC(N)=O)C[C@H]2O)CC1 1025485325 OIGCQZYUKHFOGX-VXGBXAGGSA-N 309.366 -0.704 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)CN2CCC(C)(C)C2)C1 1025688578 OTBWFHIWFDRFSW-JHJVBQTASA-N 322.409 -0.434 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H]2C[C@@H](NC(=O)C(N)=O)C23CCC3)c1 1025898336 HHKGABDRKQOHQV-WDEREUQCSA-N 315.333 -0.471 30 20 DBED Cn1nnc(CNC[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)n1 1026794643 NHLGUSYVHJBUNB-JTQLQIEISA-N 314.353 -0.338 30 20 DBED CC#CCN1[C@H]2CC[C@H]1CN(C(=O)c1cn(CC(N)=O)nn1)C2 1029597890 OGRQYCZDTDSVMG-RYUDHWBXSA-N 316.365 -0.925 30 20 DBED C=CCOc1cccnc1C(=O)NC1CN(CC(=O)NC)C1 1031231499 BQDGMDVLADLLML-UHFFFAOYSA-N 304.350 -0.194 30 20 DBED C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cn(C)c(=O)nc1O 1032780155 AEFBMEWRPPLJPZ-QWRGUYRKSA-N 302.334 -0.592 30 20 DBED C#CCOc1ncccc1C(=O)NC[C@@H]1CCN1CC(N)=O 1038927950 FLINOZYFMOBAOS-NSHDSACASA-N 302.334 -0.617 30 20 DBED Cn1ccc(C(=O)N[C@@H]2CN(c3nccnc3C#N)C[C@H]2O)n1 1041052956 IEJGLIZGLRNMND-VXGBXAGGSA-N 313.321 -0.939 30 20 DBED CC#CCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2COCCO2)C1 1041604142 PCGAMAHZWBKGEL-ZDUSSCGKSA-N 324.377 -0.715 30 20 DBED C#CCCN1CC[C@]2(CCN(C(=O)C[C@@H]3CC(=O)NC3=O)C2)C1 1041860870 KPLZWBUBHLYMLN-GUYCJALGSA-N 317.389 -0.013 30 20 DBED CCNC(=O)CCC(=O)NCC1(O)CN(C(=O)C#CC(C)C)C1 1042013655 LIYPNRZTNQBPEG-UHFFFAOYSA-N 323.393 -0.748 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)C2=CCOCC2)C1 1042716006 FYFABUTYRQOWHU-UHFFFAOYSA-N 306.362 -0.318 30 20 DBED CCn1ccnc1C(=O)NCC1(O)CN(C(=O)C#CC(C)C)C1 1042820660 MSNJJTKGSTYISL-UHFFFAOYSA-N 318.377 -0.135 30 20 DBED C[C@H]1COCC[C@H]1C(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042961428 YCXFBJGPVBKQJR-GXTWGEPZSA-N 320.389 -0.238 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)[C@H](C)C2CC2)C1 1043039498 GXAQGTBZJLVYAX-NEPJUHHUSA-N 308.378 -0.240 30 20 DBED C=CCCCC(=O)N1CC(O)(CNC(=O)CCCC(N)=O)C1 1043707250 ICHCWKHOMKVRGW-UHFFFAOYSA-N 311.382 -0.312 30 20 DBED C=CCC(C)(C)C(=O)N1CC(O)(CNC(=O)c2cnn(C)n2)C1 1043887787 XKHIMHWKAGKLAH-UHFFFAOYSA-N 321.381 -0.280 30 20 DBED Cc1cc(C(=O)N2CC(O)(CNC(=O)[C@@H](C)C#N)C2)cnn1 1045540464 IANFXLFXKDDEFN-VIFPVBQESA-N 303.322 -0.752 30 20 DBED Cc1nccn1CC(=O)N1CC(O)(CNC(=O)[C@@H](C)C#N)C1 1045554979 MCADIHFHQRHKRY-JTQLQIEISA-N 305.338 -0.959 30 20 DBED N#CCN1CC[C@@H](N2CCN(C(=O)C3=COCCO3)CC2)C1 1046000810 ZDVSPFAELSUELF-CYBMUJFWSA-N 306.366 -0.383 30 20 DBED C#CCCN1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CNC(=O)N2)C1 1046968601 KKCSBVCEXTYKTN-WDEREUQCSA-N 314.336 -0.236 30 20 DBED C=CCOCC(=O)N(C)[C@H]1CN(C(=O)c2cncn2C)C[C@@H]1O 1048558625 SZDWQOWKBBZDSR-STQMWFEESA-N 322.365 -0.734 30 20 DBED C=CC(C)(C)C(=O)N(C)[C@H]1CN(C(=O)c2cnon2)C[C@@H]1O 1049176107 HWFLECJIMHOJKK-QWRGUYRKSA-N 308.338 -0.075 30 20 DBED C#CCN1CCN([C@@H]2CCN(C(=O)[C@H]3CCN(C)C3)C2)CC1 1052117658 WKJRDZKFFPIQOP-JKSUJKDBSA-N 304.438 -0.210 30 20 DBED C#CCN1CC2(C1)CN(C(=O)C[C@@H]1CCC(=O)N1C)CCO2 1053369915 NKOJMFLDDUWPLZ-ZDUSSCGKSA-N 305.378 -0.456 30 20 DBED N#CCN1CC2(CC[C@@H](CNC(=O)[C@H]3CCNC(=O)C3)O2)C1 1053590128 ADZPKKMRRBBCTN-RYUDHWBXSA-N 306.366 -0.614 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)[C@H]3CCC(=O)N(C)C3)CO2)C1 1054017564 FFOCHLCNZDJXQY-QWHCGFSZSA-N 305.378 -0.553 30 20 DBED N#Cc1ccc(N2CCN(C(=O)CCn3cncn3)CC2)nn1 1055729607 LKDKPPQYDAXLBG-UHFFFAOYSA-N 312.337 -0.321 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@]1(CO)CCCN(C(=O)COC)C1 1055912122 MLJOYTVYCIUJHC-HUUCEWRRSA-N 314.382 -0.570 30 20 DBED CO[C@@H](C)C(=O)N1CCC[C@](CO)(NC(=O)C#CC2CC2)C1 1055936623 JSNQWKACEAQHBB-LRDDRELGSA-N 308.378 -0.096 30 20 DBED C[C@@H](C#N)C(=O)N[C@@]1(CO)CCCN(C(=O)Cn2ccnc2)C1 1056096522 IPRUPXUESTWNDE-WFASDCNBSA-N 319.365 -0.488 30 20 DBED Cn1cnc(C(=O)NC2[C@H]3CN(c4ccc(C#N)nc4)C[C@H]23)n1 1056203990 WJMDTVAXSQHMMM-RYUDHWBXSA-N 309.333 -0.054 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)[C@H]1C[C@@H]1OCC 1057087839 SHTCJFCRWFRBSS-STQMWFEESA-N 314.382 -0.449 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)C[C@@](C)(O)C=C 1057193133 ANMQLMVRRHNTPJ-HNNXBMFYSA-N 314.382 -0.547 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)[C@H](OC)C(C)C 1057194541 GKBSTRLRTAHMOQ-CQSZACIVSA-N 316.398 -0.203 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)c1c[nH]nc1C 1057196696 SGIYZBRUEGEIRQ-UHFFFAOYSA-N 310.354 -0.529 30 20 DBED N#Cc1nccnc1N1CCC[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1 1058231871 UOCQJXKLZRLNNA-MWLCHTKSSA-N 315.337 -0.885 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)c1cccc(=O)n1C 1058656659 HYFYPRCNDDCVTE-NSHDSACASA-N 320.349 -0.904 30 20 DBED N#Cc1ccc(N[C@H]2CCN(C(=O)C[C@H]3CCNC3=O)C2)nn1 1058982969 MRNKLFVRYSPXEL-PWSUYJOCSA-N 314.349 -0.113 30 20 DBED Cc1cc(C#N)nc(NC[C@H]2CCCN(C(=O)C(N)=O)C2)n1 1060079582 BZYKUMDHDODNBL-SNVBAGLBSA-N 302.338 -0.208 30 20 DBED N#Cc1ccc(NC[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)C2)cn1 1060972486 LQGUXCXHAKSZTM-GWCFXTLKSA-N 314.349 -0.105 30 20 DBED Cc1ccnc(C(=O)N2CCOC[C@@H]2CNC(=O)[C@H](C)C#N)n1 1061847143 JJPZWNIHSDYXBR-PWSUYJOCSA-N 317.349 -0.098 30 20 DBED C=CCCC(=O)NCC1(NC(=O)C[C@@H]2NC(=O)NC2=O)CCC1 1062686962 HFGGCBXSEAMDSE-JTQLQIEISA-N 322.365 -0.294 30 20 DBED N#Cc1cc(C(=O)NCC2(NC(=O)CNC(N)=O)CCC2)c[nH]1 1062828429 ZFOMQGCCDRRHBC-UHFFFAOYSA-N 318.337 -0.677 30 20 DBED Cn1ncc(C(=O)NC2(CNC(=O)C#CC3CC3)CCC2)n1 1062973859 CXRUNNSTQCRVRG-UHFFFAOYSA-N 301.350 -0.003 30 20 DBED N#Cc1cnc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)c2ccc(O)nn2)cn1 1064216109 KWNGTSGWKZEJHA-YKHWKNEFSA-N 323.316 -0.149 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CN(C)C(=O)N2)CCO1 1065420945 PJJAELHEYLCBCC-NEPJUHHUSA-N 324.381 -0.680 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)Cc2cnoc2)CCO1 1065497308 VBXSBZHVDDWMCW-ZDUSSCGKSA-N 323.349 -0.237 30 20 DBED Cn1ncc(C(=O)N2C[C@@H]3CN(c4cnc(C#N)cn4)C[C@@H]3C2)n1 1066013523 QGPOZRAJOOBLMR-PHIMTYICSA-N 324.348 -0.315 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CCCN(C(=O)CCn2cnnn2)CC1 1066478520 KLLPPUAXWCXIJW-VXGBXAGGSA-N 319.369 -0.280 30 20 DBED N#Cc1cnccc1N1CCOC[C@@H]1CNC(=O)c1cnn[nH]1 1066530345 DLNYPOAHVXJOLK-NSHDSACASA-N 313.321 -0.293 30 20 DBED Cc1nc(NC[C@H]2CN(C(=O)CC(N)=O)CCO2)ccc1C#N 1066607656 UFLZJBBCVCBKSW-LBPRGKRZSA-N 317.349 -0.224 30 20 DBED C[C@H](C#N)C(=O)N(C)CCCN(C)C(=O)CNC(=O)C1CC1 1066925042 PXOPMJCIAHZNEF-LLVKDONJSA-N 308.382 -0.021 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](CNC(=O)c3cnn[nH]3)C2)cn1 1067697078 AVGANERUXGVKBG-RNCFNFMXSA-N 313.321 -0.702 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1(CC)CCN(C(=O)C(N)=O)CC1 1069577090 WVKDTJIVZLHIKT-NEPJUHHUSA-N 323.393 -0.050 30 20 DBED N#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2ccnc(F)c2)C1 1069901703 PFRICPSKPRCBDP-NEPJUHHUSA-N 315.312 -0.009 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2cncnc2O)C1 1069955998 XSRUJGMUTYBQIX-NEPJUHHUSA-N 313.321 -0.938 30 20 DBED C#CCCCCC(=O)NCC1(NC(=O)CC(N)=O)CCOCC1 1070047216 KKIIQKPCIGIMPX-UHFFFAOYSA-N 323.393 -0.163 30 20 DBED N#CCN[C@@H]1CN(C(=O)C[C@H]2COC(=O)C2)C[C@@H]1n1ccnn1 1070176815 SKOUKYYFRGJGCL-UTUOFQBUSA-N 318.337 -0.904 30 20 DBED N#CCN[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1n1ccnn1 1070179818 JLDUMAOSDHQGAZ-OLZOCXBDSA-N 310.321 -0.343 30 20 DBED C=CCN[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@@H]1n1ccnn1 1070188914 SRQQJGGGVXHAAE-MNOVXSKESA-N 302.342 -0.752 30 20 DBED CC(=O)N1CC(C(=O)N2CCC[C@@H](NC(=O)[C@@H](C)C#N)C2)C1 1070660834 GTWCJSOZTPXCND-GXFFZTMASA-N 306.366 -0.268 30 20 DBED CNC(=O)CN1C[C@H]2C[C@H]3CN(C(=O)[C@H](C)C#N)C[C@@]3(C1)O2 1070771787 BRZRMDJNFDKKJW-NWJSVONSSA-N 306.366 -0.806 30 20 DBED CC#CCN1CCNC(=O)CCN(C(=O)c2csnn2)CC1 1070983973 OFVOLVIPNAVMFN-UHFFFAOYSA-N 321.406 -0.175 30 20 DBED C#CCOCCC(=O)N1C[C@H](C)[C@@H](NC(=O)c2cn(C)nn2)C1 1072096629 BPRUIHVPOIWESK-RYUDHWBXSA-N 319.365 -0.568 30 20 DBED CC1(C)CN(C(=O)C#CC2CC2)CC[C@H]1NC(=O)CNC(N)=O 1073306970 VWVATTFHCBQJDF-GFCCVEGCSA-N 320.393 -0.189 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(N2CCN(C(=O)C3CC3)CC2)C1 1073522130 RTWGYGWWLVVIEI-CYBMUJFWSA-N 319.405 -0.210 30 20 DBED O=C(C#CC1CC1)NCC1(O)CCN(C(=O)c2ncc[nH]2)CC1 1074577114 BDMYPVIHZIVKNA-UHFFFAOYSA-N 316.361 -0.094 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)c1ccnn1C 1075859319 DUUZDULEKZJYQV-NSHDSACASA-N 319.365 -0.816 30 20 DBED C[C@@H](CCNC(=O)c1c[nH]c(C#N)c1)NC(=O)[C@H]1CCC(=O)N1 1076215799 WKEKSMQYBBCURF-JOYOIKCWSA-N 317.349 -0.210 30 20 DBED C=CCCOCC(=O)N[C@@H](C)CCNC(=O)[C@@H]1COC(=O)N1 1076346758 FPAWRDULYNNWRR-QWRGUYRKSA-N 313.354 -0.302 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)c1ccn(C)n1 1076591197 UUIUAKKQPYOISX-NSHDSACASA-N 319.365 -0.816 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)Cc2cnn3c2CCCC3)C1 1077171583 JXMCIEJASBOOKF-GDBMZVCRSA-N 316.405 -0.054 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2cnn(C)c2C(F)(F)F)C1 1077296276 BBLCAAZHXVYPPP-NXEZZACHSA-N 316.283 -0.153 30 20 DBED C=CCOCC(=O)N1CCC[C@H](N(C)C(=O)CC(N)=O)CC1 1078893850 GZGLABOYVLIHQL-LBPRGKRZSA-N 311.382 -0.096 30 20 DBED CCN1CCO[C@@H](C(=O)N2CC(N(CC)C(=O)[C@H](C)C#N)C2)C1 1080418724 YAZLIZRLVPHAFC-TZMCWYRMSA-N 322.409 -0.074 30 20 DBED CC(=O)NCC(=O)NC1(CO)CCN(C(=O)C#CC2CC2)CC1 1080685637 RECZETOWXRPRHK-UHFFFAOYSA-N 321.377 -0.994 30 20 DBED C#CCN1C[C@@H](NC(=O)c2cn(C[C@@H]3CCOC3)nn2)[C@H](C)C1 1080688020 PRDCGKLGEPTESQ-HZSPNIEDSA-N 317.393 -0.002 30 20 DBED COCCC(=O)NC[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1O 1081150255 SCKOIYXRFYHHGM-YPMHNXCESA-N 320.349 -0.528 30 20 DBED C=CCCC(=O)N1C[C@H](CNC(=O)c2cnccn2)[C@@H](O)C1 1081205101 OWNSFTSZTUHWEJ-AAEUAGOBSA-N 304.350 -0.008 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cnn(C)c2)C1 1081247488 DPPLNPSPMPLDRO-OCCSQVGLSA-N 318.377 -0.227 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)CC2(O)CCC2)C[C@@H]1O 1081463343 LWKQETKJXDCZCD-KBPBESRZSA-N 322.405 -0.114 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2[nH]c(O)nc2C)C1 1081557157 YCLNWMSBRFDWBA-MNOVXSKESA-N 322.365 -0.061 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN(Cc3nnnn3C)C[C@H]2OC)C1 1082103057 RFXJPNCXOWHNIZ-VXGBXAGGSA-N 320.397 -0.118 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1cccn2c(O)nnc12 1082323768 LRQRCODSRPIPQW-GHMZBOCLSA-N 316.321 -0.613 30 20 DBED COc1nc(C)ncc1C(=O)N1CCO[C@@H]2CN(CC#N)C[C@@H]21 1083100348 GVXDXHYNZIHABZ-QWHCGFSZSA-N 317.349 -0.158 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CCn2ccnc2C1 1083125199 IVSCWMFDQWOVHP-MELADBBJSA-N 315.377 -0.119 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CC(=O)N(CC(C)C)C2)C1 1083503737 AEKYMKTZNVFXAZ-KFWWJZLASA-N 321.421 -0.325 30 20 DBED Cc1c[nH]c(CC(N)=O)c1C(=O)NC[C@H]1C[C@H](NCC#N)C1 1086482739 UJAPPEDKPKEZCX-XYPYZODXSA-N 303.366 -0.028 30 20 DBED C#CCN[C@@H]1CCCCCN(C(=O)CN2CCNC(=O)C2)C1 1088358450 CFZQMRWITHCQPO-CQSZACIVSA-N 306.410 -0.588 30 20 DBED C#CCN1C[C@@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2nnn(C)n2)C1 1089847232 RYGNTKLLYSMBIM-RVMXOQNASA-N 300.366 -0.374 30 20 DBED CCN(CC)CC(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1O 1090425912 DFCDXQSXDAPLQV-CHWSQXEVSA-N 318.381 -0.644 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCN(c2ncccn2)C[C@@H]1O 1092164543 NIOAWZABZJOMNY-OLZOCXBDSA-N 304.350 -0.428 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccn2nnnc12 1092967474 XXMJDOWPZHETFI-ZDCRXTMVSA-N 312.337 -0.095 30 20 DBED CCC(=O)NCC(=O)NC1[C@H]2CN(c3ccc(C#N)nn3)C[C@H]12 1093234056 GSQSJGVNYXIBIG-QWRGUYRKSA-N 314.349 -0.575 30 20 DBED C#CCN1CC(OC2CCN(C(=O)[C@@H]3CCCNC3=O)CC2)C1 1093545207 YRNVELKHFRWADG-OAHLLOKOSA-N 319.405 -0.162 30 20 DBED Cn1c(C(=O)N2CCC(OC3CN(CC#N)C3)CC2)cnc1O 1093560315 JHNJWGSYDMXMDX-UHFFFAOYSA-N 319.365 -0.045 30 20 DBED Cn1nnc2cc(C(=O)NCCNc3cnc(C#N)cn3)cnc21 1093999847 FMLKJCMQDBJLPN-UHFFFAOYSA-N 323.320 -0.133 30 20 DBED C=CCN1CCN(C(=O)c2cnccn2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094602068 RUXIHTQWWMNPJF-QWHCGFSZSA-N 322.390 -0.414 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)[C@@H]3CCCOCC3)CC2=O)C1 1094734014 PVHQSGHWQLZTAJ-ZIAGYGMSSA-N 319.405 -0.162 30 20 DBED CN(CCCNC(=O)c1c[nH]c(=O)cn1)c1nccnc1C#N 1095715006 CNFBJPMMNKVLQG-UHFFFAOYSA-N 313.321 -0.312 30 20 DBED CC(=O)NCC(=O)NC[C@H](N=c1cc[nH]cc1C#N)C1CC1 1096559244 IIHHNOJKGKBINY-AWEZNQCLSA-N 301.350 -0.182 30 20 DBED C[C@H](CNC(=O)[C@H]1CCS(=O)(=O)N1)Nc1ncccc1C#N 1097875621 VVDGQHCDKLUYNP-MWLCHTKSSA-N 323.378 -0.438 30 20 DBED C[C@@H](CNC(=O)COC[C@H]1CCCO1)N=c1cc[nH]c(C#N)n1 1097927715 GBPJLUXLLCGPTJ-NWDGAFQWSA-N 319.365 -0.118 30 20 DBED C[C@@H](CNC(=O)CCN1CCOCC1)Nc1cnc(C#N)cn1 1097945329 KLZVETDAENFVPB-LBPRGKRZSA-N 318.381 -0.013 30 20 DBED C[C@@H](CNC(=O)[C@H]1CN(C)C(=O)N1)Nc1nccnc1C#N 1098213054 BCSMBWPKHQRXSO-WCBMZHEXSA-N 303.326 -0.712 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@@H]2CN(C)C(=O)N2)C[C@H]1C(F)(F)F 1099288502 OUNVGVRQJRSVSZ-BBBLOLIVSA-N 318.299 -0.378 30 20 DBED C[C@@H]1OCCO[C@@H]1C(=O)NCC[C@@H](C)N=c1cc[nH]c(C#N)n1 1099767483 CECMECHBWOXGDF-SUNKGSAMSA-N 319.365 -0.119 30 20 DBED CC(C)(C(=O)N[C@@H]1CCN(CC(=O)NCC#N)C[C@H]1O)C1CC1 1099952529 UYIDJPVGDZIFLE-CHWSQXEVSA-N 322.409 -0.386 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)Cn2ccc(C)n2)[C@H](O)C1 1100005585 FDXQHVFULSCACX-HUUCEWRRSA-N 320.393 -0.607 30 20 DBED C#CCCN1CC[C@H](NC(=O)CCCC(=O)NCC)[C@H](O)C1 1100078642 MGVAORGKJBYTEG-UONOGXRCSA-N 309.410 -0.133 30 20 DBED CC(C)(C)CC(=O)NCC(=O)N[C@H]1CCN(CC#N)C[C@@H]1O 1100119185 GEEDQGMBQCKMCR-RYUDHWBXSA-N 310.398 -0.386 30 20 DBED N#Cc1cnccc1N(CCNC(=O)Cn1cnnn1)C1CC1 1101281181 MROKYGUDGXJTKC-UHFFFAOYSA-N 312.337 -0.275 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1CNC(=O)c1cncnc1 1101898060 WSEUASPNCWJUEX-DGCLKSJQSA-N 316.365 -0.586 30 20 DBED Cc1ccc(C#N)c(NCCN(C)C(=O)[C@@H]2CNC(=O)N2)n1 1101921518 UJNIBTFXNWZOSW-NSHDSACASA-N 302.338 -0.187 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H]1CN(CCOCCO)C[C@H]1C 1101964774 YAAHKFAXXCECOH-RBSFLKMASA-N 312.410 -0.282 30 20 DBED CC(=O)NCC(=O)N1CC[C@H](CN(C)c2ccnc(C#N)n2)C1 1102425426 WVTRMISCCROEHJ-GFCCVEGCSA-N 316.365 -0.231 30 20 DBED CC[C@@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)Nc1nccnc1C#N 1103305373 BAHRCMWMGMMCHX-AEJSXWLSSA-N 302.338 -0.224 30 20 DBED C[C@@H](CNC(=O)CCn1cnnn1)CNc1cnc(C#N)cn1 1104047847 UYBPHKMGFHOXPO-SNVBAGLBSA-N 315.341 -0.411 30 20 DBED COc1ccnc(N2CCO[C@H](CNC(=O)[C@@H](C)C#N)C2)n1 1104302174 QRTGOKDJGZKVAB-WDEREUQCSA-N 305.338 -0.034 30 20 DBED C=CCCCNCc1cn(C2CN(C(=O)CC(=O)NC)C2)nn1 1105221301 FEJWYJFZYWYFLL-UHFFFAOYSA-N 320.397 -0.147 30 20 DBED C#CCNCc1cn(C2CN(C(=O)CCc3ncc[nH]3)C2)nn1 1105223719 GNFZQYRRIDAAKA-UHFFFAOYSA-N 313.365 -0.260 30 20 DBED Cn1nccc1CC(=O)N1CC(n2cc(CNCC#N)nn2)C1 1105224031 UKUHMWRPZFWKRJ-UHFFFAOYSA-N 314.353 -0.749 30 20 DBED C=CCCNCc1cn(C2CN(C(=O)Cc3nc[nH]n3)C2)nn1 1105359690 RPOPTQITWNNXCK-UHFFFAOYSA-N 316.369 -0.312 30 20 DBED C#CCNC(=O)CC(=O)N(C)CCN(C)c1ccc(C#N)nn1 1105369118 PIHJCSNIZYHJEC-UHFFFAOYSA-N 314.349 -0.618 30 20 DBED C[C@H](CCNc1ccc(C#N)nn1)NC(=O)[C@@H]1CNC(=O)N1 1106543004 MWMYPKBPAQYOTR-SCZZXKLOSA-N 303.326 -0.664 30 20 DBED COC[C@H](C)CC(=O)N1C[C@@H](C)[C@H](CNCC(=O)NCC#N)C1 1106818613 TYVLSKPFLQVRNA-MGPQQGTHSA-N 324.425 -0.017 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)[C@@H]1CC[C@@H]1C(N)=O 1106909591 MOMVTMXKQSLBKQ-WDEREUQCSA-N 316.365 -0.458 30 20 DBED C#CCN1CC(n2cc(CNC(=O)Cc3ccn(C)n3)nn2)C1 1107167999 PKDDXBQMBKFKKQ-UHFFFAOYSA-N 313.365 -0.640 30 20 DBED C#CCN1CC(n2cc(CNC(=O)[C@]3(C)CCOC3)nn2)C1 1107223262 XBUWXNAJELLIEQ-OAHLLOKOSA-N 303.366 -0.189 30 20 DBED Cc1cc(C#N)nc(NC/C=C/CNC(=O)[C@H]2CNC(=O)N2)n1 1107492048 GCWVYIUWOGNDNW-KXMPLOMGSA-N 315.337 -0.578 30 20 DBED Cc1nc(CC(=O)N[C@H](C)CNc2cnc(C#N)cn2)n[nH]1 1107722113 YIHACOGGCBMKQU-MRVPVSSYSA-N 300.326 -0.066 30 20 DBED C[C@H](C#N)C(=O)NC[C@@]1(C)CN(CCN2CCNC2=O)CCO1 1107820795 DBAGBGZXPDMHLY-DOMZBBRYSA-N 323.397 -0.622 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)c2cnc(N(C)C)cn2)C1 1107946181 QMDBFKMHHSBQIE-INIZCTEOSA-N 317.393 -0.004 30 20 DBED C=C(C)CCN1CCO[C@](C)(CNC(=O)[C@H]2CNC(=O)N2)C1 1108166418 AVNCRLKGJZQCQR-IUODEOHRSA-N 310.398 -0.159 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC(N2C[C@H](NC(C)=O)CC2=O)C1 1108495075 PZXLRMUUALLGEP-ZYHUDNBSSA-N 308.382 -0.902 30 20 DBED C[C@@H](CN(C)c1cncc(C#N)n1)NC(=O)[C@H]1CCCC(=O)N1 1109131408 JINKELKCZCQARP-CMPLNLGQSA-N 316.365 -0.042 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1[C@H]2C[C@H]1N(c1ccc(C#N)nc1)C2 1109703887 GELYVETVEOIPML-FABXCBLPSA-N 323.356 -0.214 30 20 DBED C[C@@H](CC(N)=O)C(=O)N[C@]1(C)CCN(c2cncc(C#N)n2)C1 1110802728 UFUDDOXMNQNBRG-ZUZCIYMTSA-N 316.365 -0.055 30 20 DBED N#Cc1cccnc1NC1(CNC(=O)CC(N)=O)CCOCC1 1110979559 QPIVNIMSXCIIPV-UHFFFAOYSA-N 317.349 -0.094 30 20 DBED C[C@H]1CN(C(=O)CNC(N)=O)C[C@@H]1Nc1cnc(C#N)cn1 1112306972 PKCAZKXTULNJLG-WPRPVWTQSA-N 303.326 -0.725 30 20 DBED C=C(Br)CN1CCN(C(=O)CNC(=O)NC)CC1 1112924886 MVVPVZFKVYJWOQ-UHFFFAOYSA-N 319.203 -0.032 30 20 DBED CNC(=O)C1(C(=O)N[C@H](C)[C@@H](C)N=c2cc[nH]c(C#N)n2)CC1 1113086525 FXUDWXBGFVTVMV-NXEZZACHSA-N 316.365 -0.399 30 20 DBED C[C@H](NC(=O)[C@@H]1[C@H]2COC[C@H]21)[C@@H](C)N=c1cc[nH]c(C#N)n1 1113261146 ACXMZEPLVRKILD-TUYISWAISA-N 301.350 -0.032 30 20 DBED C[C@@H]1C[C@H](C(=O)N2CCN(CC(=O)NCC#N)CC2)CCO1 1113459268 WVALQTJUUFKEOV-CHWSQXEVSA-N 308.382 -0.415 30 20 DBED CC#CCN1CCN(C(=O)CNS(=O)(=O)CCCC)CC1 1113588366 KOOATMJVKZQXEX-UHFFFAOYSA-N 315.439 -0.127 30 20 DBED C=CCOCCN1C[C@H]2C(NC(=O)CN3CCCC3=O)[C@@H]2C1 1113834431 VFNDRADXIGXFJE-CHWSQXEVSA-N 307.394 -0.142 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)CCn3cccn3)[C@@H]2C1 1113876428 QTYUVEUBQZFLDA-CHWSQXEVSA-N 315.377 -0.931 30 20 DBED N#CCSCC(=O)N[C@H]1[C@@H]2CN(CCNC(=O)C3CC3)C[C@@H]21 1113899481 NPDQZSINCCHBRZ-IMRBUKKESA-N 322.434 -0.184 30 20 DBED CNC(=O)NCC(=O)NC[C@@H](C)N(C)c1nccnc1C#N 1113939476 ZIWSUEAOZZDING-SECBINFHSA-N 305.342 -0.782 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)c3nccnc3N)[C@H]2C1 1114058083 QGNRKRNNNZEKIB-UWVGGRQHSA-N 316.365 -0.979 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)Cc3cc[nH]n3)[C@@H]2C1 1114089026 ZAGSAHSFTKALFA-CYZMBNFOSA-N 317.393 -0.311 30 20 DBED C#CCOCCC(=O)N[C@H]1[C@@H]2CN([C@@H]3CCN(CC)C3=O)C[C@@H]21 1114268058 FECNSGUZTBJUHH-CTASWTNQSA-N 319.405 -0.307 30 20 DBED C=CCOCCN1C[C@H]2C(NC(=O)[C@@H]3CCC(=O)N3C)[C@@H]2C1 1114696382 VIQLSCYUJBDPOF-UPJWGTAASA-N 307.394 -0.144 30 20 DBED C=CCN1C[C@H]2[C@H](NC(=O)CCn3cc[nH]c(=O)c3=O)[C@H]2C1 1114986573 IIEPHPUTTSJESH-PJXYFTJBSA-N 304.350 -0.841 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)c3oncc3C)[C@H]2C1 1115065598 PAYSLRAUAPOKRI-WUHRBBMRSA-N 316.361 -0.219 30 20 DBED C=CCCCN1C[C@@H]2C(NC(=O)Cn3c(O)nnc3O)[C@H]2C1 1115172007 KEIJGGZEJUBNFE-UWVGGRQHSA-N 307.354 -0.298 30 20 DBED COC(=O)C[C@@H](NC(=O)C(=O)Nc1cnn(CC#N)c1)C1CC1 1116508783 FZIKCMWUFXEGMD-LLVKDONJSA-N 319.321 -0.197 30 20 DBED C#CCSCCNC(=O)C(=O)N[C@@H](C)c1nnnn1C1CC1 1119135385 KNNQTPCLJYTGCO-VIFPVBQESA-N 322.394 -0.332 30 20 DBED C[C@H](CN1CCOCC1)NC(=O)C(=O)N1CCC[C@H](C#N)C1 1119745357 BECQQMCJGHUKKE-CHWSQXEVSA-N 308.382 -0.415 30 20 DBED C#CCOCCn1nnnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1120253360 YXQAVKWOMSPETN-TZMCWYRMSA-N 307.354 -0.293 30 20 DBED Cc1cc(C(=O)NC[C@H](CO)Nc2ccc(C#N)nn2)no1 1121011412 WYMCXTSHBZTCJT-SNVBAGLBSA-N 302.294 -0.153 30 20 DBED Cc1cc(=N[C@H](CO)CNC(=O)Cn2cccn2)c(C#N)c[nH]1 1121054370 AZPMEVHWCNXEQK-ZDUSSCGKSA-N 314.349 -0.531 30 20 DBED Cc1cc(NC[C@H](O)CN(C)C(=O)C#CC2CC2)nc(CO)n1 1124283752 PHBHESBOWAXZPO-ZDUSSCGKSA-N 318.377 -0.078 30 20 DBED CN(C[C@@H](O)CNc1nccnc1C#N)C(=O)c1cncn1C 1124593253 XIYQVZLOKMUCLJ-JTQLQIEISA-N 315.337 -0.373 30 20 DBED C#CCN1CCn2ncc(CNC(=O)CCn3ccnn3)c2C1 1128320974 CXDOZMUVPQCCCU-UHFFFAOYSA-N 313.365 -0.370 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)c2cc3n(n2)CCC3)C1=O 1128905422 RUWKEEBLTZCHJR-ZDUSSCGKSA-N 317.393 -0.064 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cnc2nccnc2c1 1129628818 BCLDTBGGPDXCSR-UHFFFAOYSA-N 312.333 -0.906 30 20 DBED C#CCN1CC[C@@H](c2n[nH]cc2CNC(=O)C2(C(N)=O)CC2)C1 1130417174 FQFSJCOAJWUKEA-LLVKDONJSA-N 315.377 -0.286 30 20 DBED CNC(=O)NCCC(=O)N[C@H]1CC[C@H](C)N(CC#CCOC)C1 1132012933 FCPGSZMUJVYLQQ-KBPBESRZSA-N 324.425 -0.076 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)Cn1cc(C)cn1 1133834642 BPZUQVMQZKWHTK-UONOGXRCSA-N 319.409 -0.186 30 20 DBED C[C@H](C[C@@H](C)NC(=O)CN1C(=O)NC(C)(C)C1=O)NCC#N 1136112844 ZUUJQLCTSMAIKU-NXEZZACHSA-N 309.370 -0.287 30 20 DBED C#CCNC(=O)CN1CCCO[C@@H](CNC(=O)c2ccc[nH]2)C1 1149139289 YZDIMPONWXGHAE-ZDUSSCGKSA-N 318.377 -0.415 30 20 DBED Cc1cc(NC(=O)C(=O)NC[C@H]2CN(CC#N)CCCO2)no1 1150707403 XFPOGVMSDMLXNM-NSHDSACASA-N 321.337 -0.348 30 20 DBED CC#CCN1CCCO[C@H](CNC(=O)CCc2cn(C)nn2)C1 1150830228 DOXRPSKMLJGBLY-OAHLLOKOSA-N 319.409 -0.022 30 20 DBED C=CCC[C@H](C)NCCNC(=O)CN1CCS(=O)(=O)CC1 1151002918 CUHPRRUJYTWMBO-ZDUSSCGKSA-N 317.455 -0.223 30 20 DBED C=CCNC(=O)CNCCNC(=O)CCC(=O)N(CC)CC 1151980948 KQXWOLDXORAOHD-UHFFFAOYSA-N 312.414 -0.357 30 20 DBED C#CCO[C@H](C)C(=O)NCCCNCCOCCNC(C)=O 1157874517 RCYCFAYPTSCTLO-CYBMUJFWSA-N 313.398 -0.727 30 20 DBED COCC#CCNCCCNC(=O)[C@@]12C[C@H]3C[C@@H](C(=O)N1)[C@H]2C3 1161438103 GOBFJTMYJOPXMD-CFAJVAMVSA-N 319.405 -0.353 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)CN1CCCCC1=O 1161730197 QFIDNWMOSRXPBT-ZDUSSCGKSA-N 324.425 -0.215 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCCNCc1nnn(C)n1 1168100779 HGNVMJPWTIWAKC-AAEUAGOBSA-N 308.386 -0.213 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)CCCCNCc1cnon1 1170310616 KSDAHYCLCHOZMT-GFCCVEGCSA-N 321.381 -0.026 30 20 DBED N#CCN1CCO[C@@H]2CCN(C(=O)CNC(=O)C3CCC3)C[C@@H]21 1177158576 YLWOOPMPBWIJTG-UONOGXRCSA-N 320.393 -0.272 30 20 DBED C[C@@H]1CN(C(=O)[C@@H](C)NS(C)(=O)=O)C[C@@]1(C)CNCC#N 1182732496 OVBDNMHIYYTJGM-NQBHXWOUSA-N 316.427 -0.478 30 20 DBED CN(Cc1nc(O)n[nH]1)[C@@H]1CCN(C(=O)CSCC#N)C1 1188958182 DRFNITDNESEWRB-SECBINFHSA-N 310.383 -0.200 30 20 DBED CCNC(=O)CCC(=O)N1CC[C@H](N(C)CC(=O)NCC#N)C1 1189344884 HTNPKMVOLVAJTA-LBPRGKRZSA-N 323.397 -0.925 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H]2CCN(C(=O)c3nc[nH]n3)[C@@H]2C1 1189453224 FVTBLHZRXSZYNC-SDDRHHMPSA-N 318.381 -0.358 30 20 DBED COCC#CCN1C[C@@H]2CCN(C(=O)CCn3cnnn3)[C@@H]2C1 1189522875 PQURNTQFLBQCMU-UONOGXRCSA-N 318.381 -0.754 30 20 DBED C#CCCN(C)[C@H]1CCN(C(=O)CCNS(C)(=O)=O)C1 1190465081 ZONHLLYADCHLAS-LBPRGKRZSA-N 301.412 -0.518 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1O 1190709390 KXQHSVBVJFODNQ-HZPDHXFCSA-N 315.373 -0.665 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)Cc2ccc(C)o2)C1 1192258556 VMMLXGYLRAUXCT-ZIAGYGMSSA-N 321.377 -0.406 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C[C@@H]2C=CCCC2)C1 1194033067 WBIBNEIFWNXTQZ-RBSFLKMASA-N 319.405 -0.357 30 20 DBED CCCCCCCN1C[C@@H](O)[C@H](NC(=O)c2nnn(C)n2)C1 1195366465 NYYXRQGUJXEFJR-VXGBXAGGSA-N 310.402 -0.045 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)[C@H]2CCC(=O)N2C)CC1 1196895727 OKBLLDLSTRFUEU-CYBMUJFWSA-N 322.409 -0.556 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)CO[C@H](C)c2nccn2C)C1 1198233364 IMWNPTUIJIJTJA-JHJVBQTASA-N 306.366 -0.708 30 20 DBED COC[C@@H](O)CNC[C@H]1CN(C(=O)C#CC(C)C)CCCO1 1200469058 BBKZALZBKUIFAZ-GJZGRUSLSA-N 312.410 -0.140 30 20 DBED C#CCNC(=O)CNC[C@H]1CN(C(=O)[C@H]2CC23CC3)CCCO1 1201484660 XINYMSDOHQPUFV-UONOGXRCSA-N 319.405 -0.257 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCCN(C(=O)CC(C)(C)O)C1 1207924872 SQFAKSNJRSXQES-STQMWFEESA-N 309.410 -0.134 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)[C@@H](CCC)OC)[C@H](C)C1 1208289032 KRCSSCZKGGSTAB-MGPQQGTHSA-N 309.410 -0.013 30 20 DBED C#CCN[C@@H]1CCCN(C(=O)CNC(=O)C2CCOCC2)C1 1210198020 HDLCWOWXZLBUPH-CQSZACIVSA-N 307.394 -0.257 30 20 DBED COCC#CCN1C[C@@H](NC(=O)[C@H]2CCCOC2)[C@H](OC)C1 1211997115 HQMPBUKGICRVFO-RRFJBIMHSA-N 310.394 -0.122 30 20 DBED C#CCN1C[C@@H](NC(=O)C(C)(C)NC(=O)NCC=C)[C@H](OC)C1 1213922106 RIFBTRNZANCSIV-CHWSQXEVSA-N 322.409 -0.301 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@H](C)OCC2CC2)C[C@H]1C 1214272552 LMQIBXQPXPLPJQ-VNHYZAJKSA-N 321.421 -0.013 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)C[C@](C)(O)C=C)C[C@H]1C 1214520883 RFNXZBVPHSCECW-XJKCOSOUSA-N 307.394 -0.501 30 20 DBED C=CCN1CC[C@@H](N2C[C@H](O)[C@H](NC(=O)C=C(C)C)C2)C1=O 1219146287 ITQXKOMPZAVIBM-MCIONIFRSA-N 307.394 -0.099 30 20 DBED C#CCCCCC(=O)N[C@@H]1CN(CC(=O)N(C)CC)C[C@@H]1O 1219481905 BRBCKFWMZYWXSB-KGLIPLIRSA-N 309.410 -0.180 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)c2cnn3c2CCC3)C1 1219763368 MIIXHDGOUBCOKX-HIFRSBDPSA-N 320.393 -0.193 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](NC(=O)[C@@H](C)NS(C)(=O)=O)C1 1220427632 MEUVPGZWMSWXKD-UTUOFQBUSA-N 319.427 -0.948 30 20 DBED Cn1cnc(C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NCC#N)n1 1226011845 UOTBUILHHLPKBG-GHMZBOCLSA-N 319.369 -0.915 30 20 DBED Cc1ocnc1C(=O)NC1CCN(CC(=O)NCC#N)CC1 1226309851 REUGNQYYBPQEHK-UHFFFAOYSA-N 305.338 -0.183 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)c1cc(CC)[nH]n1 1230806740 RCDFAMOQMGNJAU-CYBMUJFWSA-N 317.393 -0.132 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)c1ccn(C)c1 1233601786 XOLAZZHNKBITTG-CQSZACIVSA-N 302.378 -0.079 30 20 DBED CCCNC(=O)CCNC(=O)C(=O)Nc1cnn(CC#N)c1 1253364402 WYTIHZKOPSGOSS-UHFFFAOYSA-N 306.326 -0.622 30 20 DBED CS(=O)(=O)CCNC(=O)C(=O)N1CCC[C@H](CC#N)C1 1261685846 WSSWNJSOVCBFCA-SNVBAGLBSA-N 301.368 -0.701 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)c2cccc(O)n2)C1 1318321011 UEQDHVYFKTVCGY-LLVKDONJSA-N 304.350 -0.107 30 20 DBED N#CCOc1cccc(NC(=O)C(=O)N(CCO)CCCO)c1 1320577832 QPIRZZSOJICTTF-UHFFFAOYSA-N 321.333 -0.269 30 20 DBED CN(C)c1c(C=NNc2ccn(C)n2)c(=O)n(C)c(=O)n1C 1323390470 KBPISQJIEQWEHQ-UHFFFAOYSA-N 305.342 -0.671 30 20 DBED CCN(CC)[C@H]1CCN(C(=O)C(=O)N2CCO[C@@H](C#N)C2)C1 1325101063 AYUONHKCHGQYDH-STQMWFEESA-N 308.382 -0.320 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CCOC(C)(C)C2)nn1 1325948051 RROYSSDVEPGCML-UHFFFAOYSA-N 307.354 -0.282 30 20 DBED CC#CC[C@@H](CO)NC(=O)CCc1nc(O)c2cnn(C)c2n1 1326676225 PWHYMDKPLQRJRG-JTQLQIEISA-N 317.349 -0.108 30 20 DBED C[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](C#N)C2)CC2(CCC2)O1 1327024637 OWQLFLGVTDJUMZ-NEPJUHHUSA-N 307.350 -0.093 30 20 DBED CC#CC[C@H](CO)NC(=O)C(=O)Nc1c(C(=O)OC)cnn1C 1329302489 JMGCBFXEZZEECI-SECBINFHSA-N 322.321 -0.964 30 20 DBED CN[C@@H]1CCCN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1 1329382961 MMALEECOQYXJMA-OCCSQVGLSA-N 319.409 -0.604 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3[C@H](C2)C3(F)F)CCN1C1CC1 1329455034 RYLTXTSEZILYMQ-UTUOFQBUSA-N 324.331 -0.091 30 20 DBED C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N1CCO[C@H](C#N)C1 1329644183 LAKJDRDVGRRAOT-RAIGVLPGSA-N 306.366 -0.664 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCN(C(C)=O)C1 1334685605 YQLLDSVSTLHDAJ-MCIONIFRSA-N 323.393 -0.179 30 20 DBED Cn1cc(C(=O)OCCOC2(C#N)CCOCC2)n(C)c1=O 1343489668 GMPWSHNUCOAEDQ-UHFFFAOYSA-N 309.322 -0.030 30 20 DBED C#CCOCCn1nnnc1N1CCO[C@@H](CC(=O)OC)C1 1344582611 CPPUAGXCWYUEPO-NSHDSACASA-N 309.326 -0.909 30 20 DBED COC(=O)N1CC(NC(=O)C(=O)N2CCC(CC#N)CC2)C1 1347268575 HMEHMFICIFPURP-UHFFFAOYSA-N 308.338 -0.295 30 20 DBED C=CCOC[C@H](NC(=O)[C@@H]1COCCN1CC(F)F)C(=O)O 1350770144 ZFHDIQYPLVHSTE-UWVGGRQHSA-N 322.308 -0.276 30 20 DBED C=CCn1c([C@@H]2CCNC(=O)C2)nnc1N1CCCNC(=O)C1 1351862682 WNRKJEYBLPIHRS-LLVKDONJSA-N 318.381 -0.216 30 20 DBED CN(C)[C@@H]1CCC[C@H](NC(=O)Cn2cc(C#N)c(O)nc2=O)C1 1362337521 RMNRYQQEDBXAMA-NWDGAFQWSA-N 319.365 -0.190 30 20 DBED C[C@@H]1O[C@H](C)[C@H](C(=O)NCCn2cc(C#N)c(O)nc2=O)[C@H]1C 1364106441 FMGZHDYZRDLYEK-UXCLJVHYSA-N 320.349 -0.004 30 20 DBED Cc1nc([C@@H]2CCN(c3[nH]c(=O)n(C)c(=O)c3C#N)C2)n[nH]1 1364206549 XZBUEQBUVADZOC-MRVPVSSYSA-N 301.310 -0.634 30 20 DBED CN(C[C@H](O)CNC(=O)c1c[nH]c(C#N)c1)C(=O)CC(C)(C)O 1382976229 XQDSFTZGJDUASW-GFCCVEGCSA-N 322.365 -0.404 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)CS(C)(=O)=O)CCCC1 1390769120 DUAWHUJONSDXGQ-SNVBAGLBSA-N 315.395 -0.264 30 20 DBED CCN(CCC#N)C(=O)CN1CC(NC(=O)C2=COCCO2)C1 1400326115 XSCHKXUOZCZTOZ-UHFFFAOYSA-N 322.365 -0.563 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)CCN2CCOCC2)CC1 1400646377 BRJRJHHXXWTLIC-LBPRGKRZSA-N 308.382 -0.367 30 20 DBED C[C@H](C#N)C(=O)NCCN(C)C(=O)C(C)(C)N1CCOCC1 1408673766 GYDXUWHRRVIIAV-GFCCVEGCSA-N 310.398 -0.169 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)Cn2cncn2)CCCC1 1409480607 ZPVZZEXYOSKLTH-LLVKDONJSA-N 304.354 -0.017 30 20 DBED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CC[C@@H]2CO)cc1 1412709448 RFNVGIPFYDZUFP-LLVKDONJSA-N 309.347 -0.570 30 20 DBED COC(=O)CNC(=O)CCN1CCC(C#N)(C(=O)OC)CC1 1412993686 SEDOGKRSADKWKC-UHFFFAOYSA-N 311.338 -0.556 30 20 DBED COc1c[nH]c(C(=O)N2CC[C@@H](NC(=O)[C@H](C)C#N)C2)cc1=O 1414558845 SFYIWLJTMMTBQW-NXEZZACHSA-N 318.333 -0.126 30 20 DBED C[C@H](C#N)C(=O)N(C)CCNC(=O)[C@H](C)CN1CCOCC1 1429269494 OTXFUPQWZYPGFG-CHWSQXEVSA-N 310.398 -0.311 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CN(C)C(=O)CCNC(N)=O)CC1 1430110489 QCNDSNXIEZWEKT-NSHDSACASA-N 323.397 -0.099 30 20 DBED N#C[C@H]1CSCCN1C(=O)c1cn(C[C@H]2CNC(=O)O2)nn1 1435720573 XZUMSONZBUJWIY-DTWKUNHWSA-N 322.350 -0.532 30 20 DBED COCCC(=O)N(C)C[C@H](O)CNC(=O)c1cc(C#N)c[nH]1 1451785567 VXQFBSYVFNQVQU-LLVKDONJSA-N 308.338 -0.528 30 20 DBED CCn1cccc(CNc2[nH]c(=O)n(C)c(=O)c2C#N)c1=O 1472773119 LWWBAYGFEZUKID-UHFFFAOYSA-N 301.306 -0.261 30 20 DBED C=C(Cl)CN1CCN(CCNC(=O)[C@H]2COCCO2)CC1 1490482323 PAHFUFGNSKJJSE-CYBMUJFWSA-N 317.817 -0.112 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C)C[C@H](O)COC1CCOCC1 1492216520 CUOMPVNYFLEYDU-STQMWFEESA-N 313.398 -0.249 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)C[C@@H]2CCN(C)C2)C1 1566677782 YCIXGFKGSABRAK-UONOGXRCSA-N 306.410 -0.732 30 20 DBED C=C(Cl)C[C@H](NC(=O)Cn1cc(C(=O)OC)nn1)C(=O)O 1573307560 KVMQCUHFZXWBEW-ZETCQYMHSA-N 316.701 -0.223 30 20 DBED C=CCCCC(=O)NCCN=c1cc[nH]c(-c2nn[nH]n2)n1 1573334663 HNAYFIZXVXSFMX-UHFFFAOYSA-N 302.342 -0.037 30 20 DBED CCN(CC)C(=O)CN(C)c1cnc(C#N)c(-c2nn[nH]n2)n1 1577877947 UBNMOJFCUHXEJO-UHFFFAOYSA-N 315.341 -0.167 30 20 DBED C[C@@]12CNC[C@@H]1CN(C(=O)CCN/C(O)=C1\N=CC=CC1=O)C2 1579474255 UHBHXAJVSMFLBZ-ZSDUCOJNSA-N 318.377 -0.029 30 20 DBED N#Cc1nc(N[C@@H](CO)[C@@H]2CCCOC2)cnc1-c1nn[nH]n1 1581880832 WTIFBPOCSJCINU-SCZZXKLOSA-N 316.325 -0.272 30 20 DBED C#CC[C@@H](NC(=O)CN1CCCC2(CC2)S1(=O)=O)C(=O)O 1588406145 YPBSCOSIXQIZPD-SNVBAGLBSA-N 314.363 -0.463 30 20 DBED C=C(C)CN(CC)C(=O)CN1CCS(=O)(=O)C[C@@H]1C(=O)O 1588440061 MJQWIVSBBKSKBT-LLVKDONJSA-N 318.395 -0.405 30 20 DBED C=C1CC(C)(C(=O)NC[C@H](CO)N=c2cc[nH]c(C(=O)O)n2)C1 1588643630 OSTURQUEEXUZBT-SNVBAGLBSA-N 320.349 -0.158 30 20 DBED CC#CC[C@H](CO)NC(=O)C(=O)Nc1cccc(C(=O)O)n1 1588926048 HAVXCBWGWXEDSE-SECBINFHSA-N 305.290 -0.391 30 20 DBED N#CCNC(=O)CNC(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1 1592678244 RTEJLLVNWLLHSL-UHFFFAOYSA-N 319.712 -0.110 30 20 DBED N#CCN1CCC(OC(=O)[C@@H]2CCCN(CC(=O)O)C2=O)CC1 1594609804 LNPORAFYLCEHEJ-GFCCVEGCSA-N 323.349 -0.159 30 20 DBED N#Cc1cn(CC(=O)O)c(=O)n(CCOC2CCCC2)c1=O 1594633087 MTWMKWVPNCMELG-UHFFFAOYSA-N 307.306 -0.075 30 20 DBED Cc1nc(O)c(C#N)c(C)c1CCC(=O)N[C@@H](CO)C(=O)O 1599940569 MHLQSCRMIQTYOX-NSHDSACASA-N 307.306 -0.230 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)c2cc(C(=O)O)nn2C)C1=O 1602722758 NCSNMBZXZCZOHL-JTQLQIEISA-N 306.322 -0.023 30 20 DBED C[C@@H](C(=O)O)N(C(=O)Cn1cc(C#N)c(O)nc1=O)C1CC1 1602813959 BXJNNFWFQHTGLR-ZETCQYMHSA-N 306.278 -0.715 30 20 DBED COC(=O)c1ccc(Cn2c(N)nc(-c3nn[nH]n3)c2C#N)o1 1609303354 PBEPBFVKGXLYRY-UHFFFAOYSA-N 314.265 -0.055 30 20 DBED C#CCNC[C@H]1[C@H](C)CCCN1C(=O)CN1CC(=O)N(C)C1=O 1753811211 HMGYUIPGSVHNFX-OLZOCXBDSA-N 320.393 -0.270 30 20 DBED N#CCNC/C=C\CNC(=O)CN1CCCCS1(=O)=O 1754150327 SYBPMYAIFWPATQ-UPHRSURJSA-N 300.384 -0.802 30 20 DBED COCC#CCN(C)C[C@H](C)NC(=O)CCN1CCOCC1 1754338501 ZLIKEGZQQSXMMX-HNNXBMFYSA-N 311.426 -0.205 30 20 DBED C=C(Cl)CN1CC[C@@H]1CNC(=O)CN1CC(=O)N(C)C1=O 1754501514 ZDWAVCSLBXZJNF-SNVBAGLBSA-N 314.773 -0.177 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@](O)(CNC(=O)CC2(C)CC2)C1 1754756132 HREQMPNZKPPZAU-DYVFJYSZSA-N 321.421 -0.133 30 20 DBED C=CCN1CCC[C@](CO)(NC(=O)C(=O)NCC(F)F)C1 1754855641 TYYNRPUENXVNRF-ZDUSSCGKSA-N 305.325 -0.503 30 20 DBED CNC(=O)NCCC(=O)N[C@@H]1CCCN(CC#CCOC)CC1 1755023575 KATGDSUOPAAAKV-CQSZACIVSA-N 324.425 -0.074 30 20 DBED CC[C@@H](C(N)=O)N1CCC(CO)(NC(=O)C#CC(C)C)CC1 1755177331 LSWDWBDEXSCEOW-ZDUSSCGKSA-N 309.410 -0.147 30 20 DBED C#CCNC1CCC(N(C)C(=O)CNS(=O)(=O)NC)CC1 1755274679 DQANDGNRLARZTF-UHFFFAOYSA-N 316.427 -0.967 30 20 DBED C#CCN[C@@H](CCN(C)C(=O)CN1CCNC(=O)C1)C(C)C 1755342035 VMQHTPLUXFHTIB-AWEZNQCLSA-N 308.426 -0.486 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H](CO)NCCn2cccn2)nc1 1755645967 YHEWXUBPMYDINV-AWEZNQCLSA-N 313.361 -0.360 30 20 DBED C#CCCNC[C@H]1CC[C@H](NC(=O)CS(=O)(=O)N(C)C)C1 1755746182 GPKMTGVGIPZMRJ-STQMWFEESA-N 315.439 -0.224 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@H]1CN(C(=O)CNC(C)=O)CC1(C)C 1755751754 WBYJGOJWNGEJPB-YPMHNXCESA-N 324.425 -0.360 30 20 DBED C#CCCNC[C@H](O)CN(C)C(=O)[C@@H]1CCc2nncn2C1 1755796916 WPPQAJIRZUNGKS-OLZOCXBDSA-N 305.382 -0.727 30 20 DBED C#Cc1ccccc1CC(=O)NC[C@H](CO)NC(=O)CCOC 1756537323 CJBOBGSENDBZHQ-OAHLLOKOSA-N 318.373 -0.160 30 20 DBED C=C[C@@H](CC)CC(=O)N[C@@H]1CN(C(=O)Cn2cncn2)C[C@@H]1O 1757202767 FMVPLIUEHIIXPF-XQQFMLRXSA-N 321.381 -0.432 30 20 DBED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)CN2CCCC2)C1 1841093195 REMXHOASBQYKPF-UHFFFAOYSA-N 319.361 -0.626 30 20 DBED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)[C@@H]2CCC=CO2)C1 1844248012 JACXOKZYDAWANR-LBPRGKRZSA-N 318.329 -0.030 30 20 DBED C#CC(=O)N1CC2(CCCN2C(=O)[C@@H](C)N2CCN(C)CC2)C1 1845100295 SMWVGFNZFMAJBV-CQSZACIVSA-N 318.421 -0.541 30 20 DBED C=CCNS(=O)(=O)c1ccc(C(=O)NCC(=O)NC)cc1 25267015 GRZJDCOLKBJUJI-UHFFFAOYSA-N 311.363 -0.373 30 20 DBED CN(C(=O)CN1CCO[C@@H](C(N)=O)C1)C1(C#N)CCCCC1 51131595 PFUFNNCTBKTSBR-GFCCVEGCSA-N 308.382 -0.143 30 20 DBED CN(CCC#N)CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 78645680 NGNCOGFKUKUEOE-UHFFFAOYSA-N 323.441 -0.109 30 20 DBED CNS(=O)(=O)CCNS(=O)(=O)c1ccccc1C#N 96696319 WEIAXHKIGVIAHX-UHFFFAOYSA-N 303.365 -0.614 30 20 DBED Cn1c(=O)[nH]c(=O)c2[nH]c(CCC(=O)OCC(C)(C)C#N)nc21 180134127 KLEDZKUIGKOLLH-UHFFFAOYSA-N 319.321 -0.025 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@H](C)C[C@@H]2CN)C1=O 261848777 QGCOZLUPBSBSJW-GHMZBOCLSA-N 322.365 -0.451 30 20 DBED CCC[C@H](NS(=O)(=O)N(CCC#N)CCOC)C(=O)O 263512309 YGXVUXNVJPFHAC-JTQLQIEISA-N 307.372 -0.064 30 20 DBED COCCN(C)CC/N=C(\N)N1CCN(c2ncccn2)CC1 264119663 UNMUOSBSPHJABP-UHFFFAOYSA-N 321.429 -0.509 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)Nc2c(C)c(C)nn2C)C1=O 264531620 RMDWUXVXALVSRF-UHFFFAOYSA-N 319.321 -0.048 30 20 DBED C[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(N)=O 268705120 BSXNBYBQSCTFPT-IUCAKERBSA-N 324.362 -0.785 30 20 DBED C#CCSCCNC(=O)NCCNS(=O)(=O)NC(C)C 277754568 WQDUSYQPDONBKZ-UHFFFAOYSA-N 322.456 -0.516 30 20 DBED C=CCN1CC[C@@H](N(C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1=O 281222130 DUYVEXFNKTXQFC-CHWSQXEVSA-N 323.353 -0.129 30 20 DBED Cn1cnc(S(=O)(=O)NCCn2cnc(C#N)n2)c1Cl 285238953 BOVQOUKCEMJYMH-UHFFFAOYSA-N 315.746 -0.485 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H]2CCOC[C@H]2C)C1=O 286507825 BEAUIWNMHWKLQQ-MNOVXSKESA-N 323.349 -0.248 30 20 DBED O=C1C[C@H](/N=C(/O)[C@H]2CCC(O)=N2)CN1CCN1CCOCC1 329594202 OMZIVLMDCZAMAL-NWDGAFQWSA-N 324.381 -0.005 30 20 DBED C[C@H](CCN1CCN(C)CC1)/N=C(/O)N[C@@H]1CC(=O)N(C)C1 329994746 ZNNPFRFBESUWTF-CHWSQXEVSA-N 311.430 -0.253 30 20 DBED CC/N=C(/O)NC(=O)[C@H](C)N1CCC[C@H]1CS(=O)(=O)NC 331144938 GWYGIHAFJIVLQQ-UWVGGRQHSA-N 320.415 -0.561 30 20 DBED N#Cc1ncn(CCNC(=O)N2CCOC[C@H]2[C@@H]2CCCO2)n1 332821608 NROCAXADQAZYHB-RYUDHWBXSA-N 320.353 -0.261 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H]1CCCC[C@@H]1C(N)=O 336936461 GCPAJRIJYFHNJF-OUAUKWLOSA-N 302.400 -0.044 30 20 DBED C[C@H](O)CN1CCN(S(=O)(=O)N(C)C[C@H](C)C#N)CC1 337154481 MXRLKDHJJMLWSN-NEPJUHHUSA-N 304.416 -0.679 30 20 DBED C[C@H](O)CN1CCN(S(=O)(=O)N(C)C[C@@H](C)C#N)CC1 337154483 MXRLKDHJJMLWSN-RYUDHWBXSA-N 304.416 -0.679 30 20 DBED N#CCNC(=O)CNC(=O)C(=O)N1CCC(C(F)(F)F)CC1 343503699 HBWJCNGOBRONHQ-UHFFFAOYSA-N 320.271 -0.457 30 20 DBED CC(=O)N1CCN(C(=O)CCNC(=O)NCCCC#N)CC1 343883849 UWMBNGJCSDUGFN-UHFFFAOYSA-N 309.370 -0.330 30 20 DBED CC(=O)NC[C@H]1CN([C@@H](C)C(=O)NC2(C#N)CCC2)CCO1 346244916 MQPSPLXTAFKTEI-AAEUAGOBSA-N 308.382 -0.226 30 20 DBED C[C@H](C(=O)NC1(C#N)CCC1)N1CC[C@H](S(N)(=O)=O)C1 346410798 JKIRRQPYJFQTPI-ZJUUUORDSA-N 300.384 -0.700 30 20 DBED COC(=O)CCN1CC[C@@H](NC(=O)c2ccc(C#N)nc2)C1=O 346907367 STHCDIMNVFXTAL-GFCCVEGCSA-N 316.317 -0.153 30 20 DBED N#Cc1ncccc1S(=O)(=O)NCCCn1cc(CO)nn1 349796798 BTLAGOZNBGHPAF-UHFFFAOYSA-N 322.350 -0.594 30 20 DBED Cc1nn(C)c(C)c1S(=O)(=O)NCCn1cnc(C#N)n1 352647057 RAIWDEPPXLHYKD-UHFFFAOYSA-N 309.355 -0.521 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)N2C[C@H](O)C[C@@H]2CO)cc1 373490100 OQZIUAOMGMGJLE-CHWSQXEVSA-N 303.318 -0.758 30 20 DBED Cc1ccc(C#N)cc1S(=O)(=O)N1CCN(C(=O)CO)CC1 408106031 WTXHCNUPVUCINF-UHFFFAOYSA-N 323.374 -0.308 30 20 DBED N#Cc1ccc(S(=O)(=O)NCc2ccc(C(N)=O)nc2)cn1 441547323 WGLZLJSGTGVQJR-UHFFFAOYSA-N 317.330 -0.074 30 20 DBED C#CCNS(=O)(=O)c1ccc(C(=O)NCCC(=O)O)cc1 490802389 AETFRYGNEFABHD-UHFFFAOYSA-N 310.331 -0.197 30 20 DBED C=CCN1CC[C@@H](N(C)CCN2CCCS2(=O)=O)C1=O 531699663 YBHTUGFMJGQIQM-GFCCVEGCSA-N 301.412 -0.259 30 20 DBED COC[C@@](C)(O)CNC(=O)C(=O)N1CCc2ccc(C#N)cc21 550520150 JQBRVGURQAVNKC-INIZCTEOSA-N 317.345 -0.039 30 20 DBED COC(=O)[C@@H](O)CNC[C@H](O)COc1ccc(CC#N)cc1 578652027 VKUAJXJEHKMEJP-JSGCOSHPSA-N 308.334 -0.384 30 20 DBED C[C@@H]1CN(S(=O)(=O)N2CCO[C@H](C#N)C2)C[C@@]1(C)CO 595381897 LMOKKXPXZHXVMP-UTUOFQBUSA-N 303.384 -0.594 30 20 DBED CS(=O)(=O)N1CCN(CCN[C@@H]2CC[C@H](C#N)C2)CC1 619672733 XRYBYXODMJSFKK-QWHCGFSZSA-N 300.428 -0.155 30 20 DBED CC#CC[C@@H](CO)NC(=O)NCCCN1CCCS1(=O)=O 645243131 ATKJQADOFDAUQI-LBPRGKRZSA-N 317.411 -0.515 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)CN2CCN(C)C(=O)C2)C1=O 684987668 JUTNJNGQDOVMAD-LBPRGKRZSA-N 308.382 -0.994 30 20 DBED COCC(=O)N(C)CC(=O)OCC(=O)N[C@](C)(C#N)C(C)C 758794688 JNARQIIGTWSSEV-CQSZACIVSA-N 313.354 -0.311 30 20 DBED C#C[C@H](NC(=O)N1CC[C@@H](S(=O)(=O)NC)C1)[C@H]1CCCO1 773561773 UHUQXEAHQGQDGE-GRYCIOLGSA-N 315.395 -0.500 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)OCc2nc(O)n[nH]2)cc1 774940672 GVAKYFZOZRXMTH-UHFFFAOYSA-N 301.262 -0.145 30 20 DBED COC(=O)[C@@H]1[C@H]2CN(CC(=O)N(CCC#N)CCC#N)C[C@H]21 794964357 PYOGVXZBHACKSR-IMRBUKKESA-N 304.350 -0.007 30 20 DBED C#CCNC(=O)CN1CCC(N(CCOC)CCOC)CC1 796515519 GUCMEGGXESUILO-UHFFFAOYSA-N 311.426 -0.205 30 20 DBED C#C[C@@H](NC(=O)C(=O)NCCn1ccnc1C)[C@H]1CCCO1 804030125 DIEAXOVVUQJGAI-CHWSQXEVSA-N 304.350 -0.395 30 20 DBED C[C@H](OC(=O)c1c[nH]c(C#N)c1)C(=O)NCCN1CCOCC1 805968958 JJAKBEXVUJQMIM-NSHDSACASA-N 320.349 -0.120 30 20 DBED C#CCn1cc(CNC(=O)C2=NN(CCO)C(=O)CC2)cn1 819537665 MJWTYLLUJLCQMX-UHFFFAOYSA-N 303.322 -0.897 30 20 DBED CC(C)NC(=O)CN1CCN(C(=O)[C@@](C)(C#N)CC(=O)O)CC1 820029496 CPVBKNQRKIDBMC-OAHLLOKOSA-N 324.381 -0.340 30 20 DBED CC(C)(C)C#CC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 837348393 OLYSWORCGCGZLR-UHFFFAOYSA-N 305.378 -0.015 30 20 DBED CC#CC[C@@H](CO)NC(=O)c1cc(S(N)(=O)=O)ccc1F 844116568 ZFMOKBBZESYCKJ-VIFPVBQESA-N 314.338 -0.023 30 20 DBED C#CCN(CC(=O)O)S(=O)(=O)c1cc(C(=O)OC)co1 849219448 VZWHFUQEZOFFTO-UHFFFAOYSA-N 301.276 -0.225 30 20 DBED C#CCNC(=O)CN1CCN(c2ccnc(O)c2[N+](=O)[O-])CC1 853267095 ZCHCJBVYMYQJFF-UHFFFAOYSA-N 319.321 -0.433 30 20 DBED CN(C)c1cc(C#N)cc(C(=O)NN2CCS(=O)(=O)CC2)c1 862731594 RIWBMBBEKVUKBH-UHFFFAOYSA-N 322.390 -0.001 30 20 DBED C#C[C@H](C)NC(=O)C1(C(=O)N[C@@H](C)C#C)C[C@@H]1S(C)(=O)=O 867501217 DRATVEYNYWUERZ-DCAQKATOSA-N 310.375 -0.935 30 20 DBED CN(CCC#N)S(=O)(=O)NC[C@@H]1CC2(CCNCC2)CO1 871809488 CTLWMKZRUVJXPL-LBPRGKRZSA-N 316.427 -0.175 30 20 DBED N#Cc1ccc(N2CCN(C(=O)C[C@H]3CNCCO3)CC2)cn1 877297966 YOQBMMHDDYNMNJ-HNNXBMFYSA-N 315.377 -0.020 30 20 DBED CNC(=O)[C@H](C#N)C(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1 917002622 LYWOPAZAVKLNSO-PWSUYJOCSA-N 313.317 -0.439 30 20 DBED CNC(=O)[C@@H](C#N)C(=O)CCN1C(=O)NC2(CCCC2)C1=O 917003128 RWOUBIAVSWAQEA-VIFPVBQESA-N 306.322 -0.304 30 20 DBED CN(C)C(=O)CNC(=S)NCCNc1ncccc1C#N 918720179 PCSUQOCEBFNEKF-UHFFFAOYSA-N 306.395 -0.083 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)Cn3cncn3)C2)cn1 936155228 WMRLJKXUTMHPPN-CQSZACIVSA-N 324.344 -0.315 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](NC(=O)c2cc(C(N)=O)cn2C)C1 941798293 YRSASCDJWZFXRO-GXSJLCMTSA-N 317.349 -0.386 30 20 DBED CO[C@@H](C)C(=O)N1CCO[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 944560849 RSOGKLBIWQODHD-GXFFZTMASA-N 320.349 -0.122 30 20 DBED C#CCN1C[C@H]2CCN(C(=O)[C@@H]3CN(C)C(=O)N3)CC[C@H]2C1 946714214 JOMFSHFWPPGRNW-MJBXVCDLSA-N 304.394 -0.186 30 20 DBED C[C@H](C#N)C(=O)N1CCC(NC(=O)C2CC(=O)NC(=O)C2)CC1 948098215 BAVOZDTVBFCKOM-SECBINFHSA-N 320.349 -0.694 30 20 DBED Cc1cc(=O)oc(C)c1C(=O)NC[C@H]1CN(CC#N)C[C@H]1O 958242984 GSXGZOVZHXKULK-NWDGAFQWSA-N 305.334 -0.197 30 20 DBED N#Cc1ccc(C(=O)NC2[C@H]3CN(Cc4nc(O)n[nH]4)C[C@H]23)[nH]1 958590348 PLLCBTYSMLYRCS-IUCAKERBSA-N 313.321 -0.430 30 20 DBED O=C(Cc1ccon1)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 961980943 SFBMQKMUBNOKAZ-OLZOCXBDSA-N 303.318 -0.682 30 20 DBED C=C1CC(C)(C(=O)N2C[C@H](O)[C@H](NC(=O)c3cn(C)nn3)C2)C1 962694684 VERMBJBUWZVAOG-PWSUYJOCSA-N 319.365 -0.527 30 20 DBED C#CCNC1CC2(C1)CC(NC(=O)CN1CC(=O)N(C)C1=O)C2 965848026 UKLDMORBHGGSON-UHFFFAOYSA-N 318.377 -0.469 30 20 DBED C=CCN1CC[C@H](C)[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C1 966520336 CPHVYTJGRKOZOW-STQMWFEESA-N 320.393 -0.440 30 20 DBED C#CCN1C[C@H]2CC[C@H]1CN2C(=O)c1ccc(S(N)(=O)=O)o1 971562420 KBBCLRMYUSEDQK-WDEREUQCSA-N 323.374 -0.151 30 20 DBED C#CCCN1CCO[C@@]2(CCN(C(=O)[C@@H]3COCCN3C)C2)C1 972349575 ZUWHBGZYPVEVIK-RDJZCZTQSA-N 321.421 -0.356 30 20 DBED N#CCN1C[C@@H]2C(CNC(=O)[C@@H]3CCCS(=O)(=O)C3)[C@H]2C1 978819986 CSOMSAHFVZHTRR-RAIGVLPGSA-N 311.407 -0.371 30 20 DBED C[C@@H](NCc1nc(O)n[nH]1)[C@@H]1CN(C(=O)C#CC2CC2)CCO1 979326463 DKZDLTVORDCNSG-PWSUYJOCSA-N 319.365 -0.371 30 20 DBED C#CCN[C@@H]1CCC[C@@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)C1 981504263 ZNKCHRXMUFNOQT-VXGBXAGGSA-N 320.393 -0.033 30 20 DBED N#CCN[C@H]1CCC[C@@H](NC(=O)c2nccnc2C(N)=O)C1 981510232 NXMKTMWEUVPABH-VHSXEESVSA-N 302.338 -0.270 30 20 DBED C#CCCN1CCCC2(C1)CN(C(=O)CN1C(=O)CNC1=O)C2 982141556 JVIVNNSHFTVUFT-UHFFFAOYSA-N 318.377 -0.514 30 20 DBED C#Cc1cncc(C(=O)N2CCC[C@H](N(C)C(=O)C(N)=O)C2)c1 984630873 DQCIUGMQCGJDFN-ZDUSSCGKSA-N 314.345 -0.389 30 20 DBED C[C@H]1[C@H](NC(=O)CN2CC(=O)N(C)C2=O)CCCN1CC#N 994208421 IBGQAOHZVPTUEV-WDEREUQCSA-N 307.354 -0.627 30 20 DBED O=C(NC1CN(C(=O)C#CC2CC2)C1)c1cnc2n1CCOC2 994827951 ADNHDQHCQAQVCY-UHFFFAOYSA-N 314.345 -0.233 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2cn(CCOC)nn2)CC1(C)C 995787027 PXZJWLJLDLSHRK-CYBMUJFWSA-N 305.382 -0.002 30 20 DBED O=C(NC1CN(C(=O)C#CC2CC2)C1)c1ccnc2[nH]nnc12 996880411 OBINVZBWYVSXBV-UHFFFAOYSA-N 310.317 -0.293 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)Cn3cccn3)C2)cn1 997091306 WPSIMCYJONQNJT-UHFFFAOYSA-N 309.329 -0.100 30 20 DBED C#Cc1ccc(C(=O)N2CC(CNC(=O)c3cnn(C)n3)C2)nc1 1003233010 HYZOGNDOSRAVGC-UHFFFAOYSA-N 324.344 -0.307 30 20 DBED C#Cc1ccc(C(=O)N2CC(CNC(=O)c3nc[nH]n3)C2)cn1 1003691917 DPQMYRKNMZQWND-UHFFFAOYSA-N 310.317 -0.317 30 20 DBED CC#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CN(C(C)=O)CCO1 1018226368 HWYZXRWMKRTQMG-XHSDSOJGSA-N 319.405 -0.068 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CC34CC4)C[C@H]2O)[nH]1 1023439501 QOGOKHQSCOKQBI-CYZMBNFOSA-N 314.345 -0.012 30 20 DBED C[C@]1(C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2O)CCCOC1 1025320031 UUJVSCGZDMQDSK-CPUCHLNUSA-N 320.389 -0.096 30 20 DBED CN1C[C@H](C(=O)NC2CN(Cc3ccc(C#N)cc3)C2)NC1=O 1030793339 NIDPLRSRJRMVBK-CQSZACIVSA-N 313.361 -0.118 30 20 DBED C#CCN1CCO[C@H](CNC(=O)[C@H]2CCCN(C(C)=O)C2)C1 1035436349 CBTNSQZCEODLNM-LSDHHAIUSA-N 307.394 -0.305 30 20 DBED C=CCCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)CN1CCCS1(=O)=O 1037425581 NPCBZVCEWRAYRA-MBNYWOFBSA-N 313.423 -0.213 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2CCN2[C@H]2CCCNC2=O)nn1 1038791326 OXESLVOVLHWSFR-YPMHNXCESA-N 318.381 -0.453 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@](O)(CNC(=O)Cn2nccn2)C1 1039829070 OEBJNKWGBCGQIE-HNNXBMFYSA-N 321.381 -0.430 30 20 DBED N#CCN1CCC[C@@]2(CCN(C(=O)C3CS(=O)(=O)C3)C2)C1 1040219872 GUNDETQCMGBXDZ-CQSZACIVSA-N 311.407 -0.131 30 20 DBED Cn1cnc(C(=O)N2CC[C@H]3CN(c4cnc(C#N)cn4)C[C@H]32)n1 1040603535 QCRLHEMTBBBKBT-CMPLNLGQSA-N 324.348 -0.172 30 20 DBED O=C(NC[C@@]1(O)CCN(C(=O)C#CC2CC2)C1)[C@@H]1[C@H]2COC[C@H]21 1040616313 SKUVVXHNNNXUKP-SHFYGJNESA-N 318.373 -0.628 30 20 DBED C=CC(C)(C)CC(=O)N1CC(O)(CNC(=O)CNC(C)=O)C1 1041210218 XZYGZAPPYCFFFZ-UHFFFAOYSA-N 311.382 -0.586 30 20 DBED C=C(C)CCC(=O)N1CC(O)(CNC(=O)Cn2nccn2)C1 1043210855 JTVQIFRQALNNLE-UHFFFAOYSA-N 307.354 -0.676 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCN(C)[C@@H]2C)C1 1043260705 BWOKBRGFNFYNRL-ZIAGYGMSSA-N 321.421 -0.180 30 20 DBED C=C(Cl)CN1CC(N(C)C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 1043983907 VOCFOYJOPDWLMM-VIFPVBQESA-N 300.746 -0.520 30 20 DBED C#CCCN1CC(N(C)C(=O)c2cc(=O)n3[nH]cnc3n2)C1 1044181676 FXAMEDHWJHTBJR-UHFFFAOYSA-N 300.322 -0.803 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)CCc2nccs2)C1 1045554276 BOEFJROGOPLQBO-JTQLQIEISA-N 322.390 -0.075 30 20 DBED C=CCCN1CC[C@@H](N2CCN(C(=O)[C@H]3COC(=O)N3)CC2)C1 1046023987 AZASLOJPQBZYDQ-ZIAGYGMSSA-N 322.409 -0.111 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCn3cncc3C2)C1 1047432938 OZNFFROGDISOAL-BPUTZDHNSA-N 316.405 -0.028 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)CN2CCCCC2=O)C1 1047438608 MVYAWPSVJCCBHY-KBPBESRZSA-N 307.394 -0.474 30 20 DBED CN(C(=O)C#CC(C)(C)C)[C@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1O 1048832121 AYSIVGLWUMPUMC-QWRGUYRKSA-N 319.365 -0.502 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2CN([C@@H](C)C(N)=O)C[C@@H]2C1 1048869647 CGPMHPUJENGPTJ-XQLPTFJDSA-N 318.421 -0.652 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)[C@@H]1CCN(C(=O)C2CC2)C1 1049685987 NLTYQQPKVCFKOS-DGCLKSJQSA-N 305.378 -0.111 30 20 DBED C#CCCN1C[C@@H]2CCCN(C(=O)Cn3ncn(C)c3=O)[C@@H]2C1 1050081571 HLFPJHCTTYGVSD-UONOGXRCSA-N 317.393 -0.472 30 20 DBED C#CCCCC(=O)N[C@H](C)[C@@H]1CCN(C(=O)Cn2ncnn2)C1 1050809930 WDGCVTZDYISEPO-CHWSQXEVSA-N 318.381 -0.170 30 20 DBED CC#CCN1CCOC[C@H]1CNC(=O)[C@H]1CCCN(C(N)=O)C1 1051011111 GYQKVDVYLGLQQG-UONOGXRCSA-N 322.409 -0.383 30 20 DBED C#CCOCCC(=O)N[C@H](C)[C@@H]1CCN(C(=O)c2nc[nH]n2)C1 1051337299 ISJKDKLABYPIRJ-VXGBXAGGSA-N 319.365 -0.189 30 20 DBED C#CCCCC(=O)N[C@H](C)[C@H]1CCN(C(=O)c2nnn(C)n2)C1 1051342639 XCFPSRIJUQZJDQ-NEPJUHHUSA-N 318.381 -0.020 30 20 DBED C#CCN1CCN([C@@H]2CCN(C(=O)[C@@H]3CCN(C)C3)C2)CC1 1052117657 WKJRDZKFFPIQOP-HZPDHXFCSA-N 304.438 -0.210 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(C(=O)c2cnn[nH]2)C[C@H]1C 1052930530 YIHIAUMVLIXGSH-VXGBXAGGSA-N 319.365 -0.331 30 20 DBED CC(=O)N1CCOC[C@H]1C(=O)N[C@@H]1CCCN(CC#N)CC1 1052946741 COJIPGPORBDFKY-KGLIPLIRSA-N 308.382 -0.272 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)c1n[nH]c(C)c1O)CCO2 1053226538 YNVODGZRGIWIOK-UHFFFAOYSA-N 304.350 -0.026 30 20 DBED C#CCN1CC2(C1)CN(C(=O)c1nc(C)c(C)[nH]c1=O)CCO2 1053299269 NGENQBIQQZTBJV-UHFFFAOYSA-N 316.361 -0.453 30 20 DBED C=CCCN1CC2(C[C@H](NC(=O)C[C@@H]3CC(=O)NC3=O)CO2)C1 1054026159 RCFUGTSUZBRYSA-NEPJUHHUSA-N 321.377 -0.425 30 20 DBED C=CC(C)(C)CC(=O)NCCN1CCC(NC(=O)C(N)=O)CC1 1055580702 QCACZTMMTFBSNX-UHFFFAOYSA-N 324.425 -0.229 30 20 DBED C[C@H](C(=O)N1CCN(c2cnc(C#N)cn2)CC1)n1cncn1 1055754042 KNIYTXDTYSQTQI-LLVKDONJSA-N 312.337 -0.150 30 20 DBED Cc1c(C(=O)NC2[C@@H]3CN(c4cnc(C#N)cn4)C[C@@H]23)nnn1C 1056176524 QGCQVXMRKNNQDO-GHMZBOCLSA-N 324.348 -0.350 30 20 DBED Cn1cnc(C(=O)N[C@H]2[C@@H]3CN(c4ccc(C#N)nc4)C[C@@H]32)n1 1056203988 WJMDTVAXSQHMMM-ITGUQSILSA-N 309.333 -0.054 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)[C@@H](C)SC 1057054147 SWNFAJCSARNTJL-LLVKDONJSA-N 304.412 -0.122 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)[C@H]1CCC(=O)NC1 1057175056 SMRLHGVIZQIKLE-LBPRGKRZSA-N 311.382 -0.584 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)c1cc(C)n(C)n1 1057193961 VJLBMTZLDWCPFY-UHFFFAOYSA-N 324.381 -0.518 30 20 DBED Cc1nn[nH]c1C(=O)N1CCC[C@H](N=c2cc[nH]c(C#N)n2)C1 1057730505 UACHVJMMRYZGQO-JTQLQIEISA-N 312.337 -0.087 30 20 DBED CCCN(C)CC(=O)N(CCO)CCNC(=O)C#CC1CC1 1058255185 GIWCCRAJQCXCBJ-UHFFFAOYSA-N 309.410 -0.321 30 20 DBED N#Cc1nccc(N2CC[C@@H](NC(=O)CN3CCOCC3)C2)n1 1058324358 HNHRCQFIODZTGZ-GFCCVEGCSA-N 316.365 -0.625 30 20 DBED Cc1nonc1CC(=O)N[C@H]1CCN(c2ccc(C#N)nn2)C1 1058430268 OKHHYNSQVFKYJY-NSHDSACASA-N 313.321 -0.023 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)C[C@H](C)n1ccnc1 1058659121 SYEXDDCELIOKFQ-STQMWFEESA-N 321.381 -0.069 30 20 DBED Cc1noc(C)c1CC(=O)NCCN(CCO)C(=O)[C@@H](C)C#N 1058659314 XGGQOKWKIDNTLK-JTQLQIEISA-N 322.365 -0.069 30 20 DBED C=CCCCC(=O)N1CCOC[C@H]1CNC(=O)Cn1cnnn1 1061278231 VLJJPABXTXZOBJ-GFCCVEGCSA-N 322.369 -0.627 30 20 DBED C#CCCCC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1COCCO1 1061321287 ASJFCDPDPJGRMG-KBPBESRZSA-N 324.377 -0.451 30 20 DBED C=CCOCC(=O)N1CCOC[C@@H]1CNC(=O)c1cc(C)[nH]n1 1061359868 GUMVZYRKEBYWKB-LBPRGKRZSA-N 322.365 -0.122 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)Cc1cncnc1 1061541924 FSXSOYKCPRJPMD-YPMHNXCESA-N 317.349 -0.478 30 20 DBED N#Cc1cnc(N2[C@H]3CC[C@H]2CN(C(=O)CC(N)=O)C3)cn1 1061938746 JAUNISOSEINYBV-QWRGUYRKSA-N 300.322 -0.597 30 20 DBED Cc1nn[nH]c1C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(C#N)nn1 1062553541 CUVNIWZOPAXVJO-QWRGUYRKSA-N 310.321 -0.122 30 20 DBED C#CCOCCC(=O)NCC1(NC(=O)[C@@H](C)NC(C)=O)CCC1 1063037241 UDTBLDWGIMHWLT-GFCCVEGCSA-N 323.393 -0.294 30 20 DBED C#CCCCC(=O)NC1(CNC(=O)CNC(=O)NC)CCC1 1063332239 MLNRJDKWPRIING-UHFFFAOYSA-N 308.382 -0.126 30 20 DBED C=CCO[C@H](C)C(=O)NC[C@@H]1CN(C(=O)c2cc[nH]n2)CCO1 1064890324 MBUPFKWBERKHGW-VXGBXAGGSA-N 322.365 -0.042 30 20 DBED CC(=O)NCC(=O)NC[C@H]1CN(C(=O)C#CC(C)(C)C)CCO1 1065136670 FWCWHQDPBLMKOJ-ZDUSSCGKSA-N 323.393 -0.484 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CN(C(=O)CN2CCCC2)CCO1 1065172163 TXLDQKDUGVRULP-OLZOCXBDSA-N 308.382 -0.415 30 20 DBED CC(C)(C)C#CC(=O)NC[C@H]1CN(C(=O)c2cnn[nH]2)CCO1 1065327261 XFZQOWKSZNBORJ-NSHDSACASA-N 319.365 -0.189 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CN(C(=O)c2ccncn2)CCO1 1065506519 ZPKNNLBEZCBVIC-WDEREUQCSA-N 303.322 -0.407 30 20 DBED CC(=O)NC(C)(C)C(=O)NC[C@@H]1CN(C(=O)[C@@H](C)C#N)CCO1 1065557261 OODMMHYMCXBXDW-CMPLNLGQSA-N 324.381 -0.596 30 20 DBED CC(C)C#CC(=O)N1CCC[C@@H](NC(=O)Cn2cnnn2)CC1 1065830493 DOLKWDCKEHVVAY-CYBMUJFWSA-N 318.381 -0.170 30 20 DBED C=CCOCC(=O)N1CCC[C@@H](NC(=O)Cn2nccn2)CC1 1066209637 OGGKTJGGBFFRGH-CYBMUJFWSA-N 321.381 -0.022 30 20 DBED COCC(=O)N1CCC[C@](CO)(N=c2cc[nH]cc2C#N)C1 1066879812 QBHAHFSNUIXMMB-HNNXBMFYSA-N 304.350 -0.213 30 20 DBED C#CCOCCC(=O)N(C)CCCN(C)C(=O)c1cnn[nH]1 1067427343 UYVQQBRKTFTHHA-UHFFFAOYSA-N 307.354 -0.235 30 20 DBED C=C(C)CCC(=O)N1CC2(C[C@H](NC(=O)CNC(C)=O)CO2)C1 1068670654 QDTKQQDGISIKHZ-ZDUSSCGKSA-N 323.393 -0.035 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1COC2(C1)CN(C(=O)C(F)F)C2 1068868257 LHUHYUGPLIRCHT-ZJUUUORDSA-N 316.304 -0.224 30 20 DBED CC#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2cncnc2)C1 1069913985 MGPYXQQMPIZRIJ-KGLIPLIRSA-N 311.349 -0.253 30 20 DBED C=C(C)CN1C[C@@H](NC(=O)CN2CCNC(=O)C2)CC[C@H]1C 1071738392 BRBGPLLOWGXDTI-KGLIPLIRSA-N 308.426 -0.037 30 20 DBED CC(C)C#CC(=O)N[C@H]1CN(C(=O)Cn2cncn2)C[C@H]1C 1072772934 MIERNMPVGSFBRU-OLZOCXBDSA-N 303.366 -0.099 30 20 DBED CCOCC(=O)N1CCN(C2CN(C(=O)[C@@H](C)C#N)C2)CC1 1073531303 SBMZRLMSKOCEKG-LBPRGKRZSA-N 308.382 -0.462 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)CN3CCOCC3)C[C@H]21 1074219197 MAAQZDIRUYDBMP-HUUCEWRRSA-N 307.394 -0.747 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](NC(=O)COCC)C[C@@H]1C 1074791900 NTWWNPVKGOJKOS-STQMWFEESA-N 323.393 -0.342 30 20 DBED C=CCOCC(=O)NCC[C@H](C)NC(=O)[C@H]1CCCNC1=O 1075920047 NFOPTFYEQYEJDT-RYUDHWBXSA-N 311.382 -0.274 30 20 DBED C#CCOCCC(=O)NCC[C@H](C)NC(=O)C[C@@H]1COC(=O)C1 1076504099 MGIJTSNHUJJUOT-STQMWFEESA-N 324.377 -0.010 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CN(CCn3cccn3)C[C@H]2O)[nH]1 1076890117 KDNAATHHGLIEJX-ZIAGYGMSSA-N 314.349 -0.442 30 20 DBED C[C@@H](CCNC(=O)CCCS(C)(=O)=O)NC(=O)[C@H](C)C#N 1077331714 BJECKWBLZVNVDR-MNOVXSKESA-N 317.411 -0.018 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)C2(n3cnnn3)CCCCC2)C1 1077506662 GBVXUESUJWZJLD-CHWSQXEVSA-N 320.397 -0.320 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCCN(C)C2=O)C1 1077995780 QXGUEOABHMBABZ-MGPQQGTHSA-N 309.410 -0.018 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2ccc(=O)n(CCCC)n2)C1 1078161134 GRDRVIWACCRFPG-ZIAGYGMSSA-N 318.377 -0.549 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)c2c(C)nn3cccnc23)C1 1078197538 NXSRFSVFNFMEPA-CHWSQXEVSA-N 313.361 -0.164 30 20 DBED C=CCCC(=O)N1CC(N(CC)C(=O)c2nnc(O)nc2O)C1 1080168026 MBSYVIKTFSATDS-UHFFFAOYSA-N 321.337 -0.078 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(N(CC)C(=O)[C@@H]2CNC(=O)N2)C1 1080385149 HULWENPZCWLCQS-XHDPSFHLSA-N 324.381 -0.946 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(C(=O)c2n[nH]cc2F)C[C@H]1O 1081471471 NXZFNBULIXQMSK-CMPLNLGQSA-N 320.324 -0.489 30 20 DBED C=CCN1C[C@@H](NC(=O)CC2CS(=O)(=O)C2)[C@H](OC)C1 1081871901 GYKOVDUSCNNIHD-VXGBXAGGSA-N 302.396 -0.578 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@H]2CCc3nc[nH]c3C2)[C@H](OC)C1 1082311761 ZDVGGVUBKMYYPR-NILFDRSVSA-N 302.378 -0.037 30 20 DBED C#CCCN1C[C@@H](NC(=O)[C@@H]2CN(C(C)=O)CCO2)[C@H](OC)C1 1082351530 YWBICLVPKFZLPP-KFWWJZLASA-N 323.393 -0.928 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2nnn(C)c2C(F)(F)F)C1 1083843403 GIGXCBPKEIFJBZ-SFYZADRCSA-N 317.271 -0.758 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCN(C(=O)CC)C2)C1 1083926555 CBBFBPZPLBCODY-MCIONIFRSA-N 307.394 -0.571 30 20 DBED C#CCN1CCC(C(=O)N[C@@H]2CN(CCOC)C[C@@H]2O)CC1 1084087993 KUQISFHHIMVALK-CABCVRRESA-N 309.410 -0.861 30 20 DBED C#Cc1cncc(C(=O)N2C[C@H]3CCN(CC(=O)NC)C[C@H]32)c1 1084647446 XMMZCRFPSAFECM-UKRRQHHQSA-N 312.373 -0.045 30 20 DBED CN(C[C@@H]1CCN1Cc1nnnn1C)C(=O)c1cc(C#N)c[nH]1 1085534409 JQDVBTUGKWSSLR-NSHDSACASA-N 314.353 -0.244 30 20 DBED CN(C[C@H]1CCN1[C@@H]1CCNC1=O)C(=O)c1ccc(C#N)[nH]1 1085553599 QKKBFZJAFKFWOW-DGCLKSJQSA-N 301.350 -0.079 30 20 DBED Cn1nnc2cc(C(=O)N[C@@H]3CCN(CC#N)C[C@H]3O)cnc21 1090440792 GVUNBLPAQKYQEL-ZYHUDNBSSA-N 315.337 -0.948 30 20 DBED Cc1cc(C(=O)N[C@@H]2CCN(CC#N)C[C@@H]2O)ncc1C(N)=O 1090574372 RVXIIDHUSZWDBB-YPMHNXCESA-N 317.349 -0.823 30 20 DBED N#CCN1CC[C@H](NC(=O)c2ccc3nc(O)[nH]c3c2)[C@H](O)C1 1090607548 WDULNUKCFUKCNX-WCQYABFASA-N 315.333 -0.043 30 20 DBED CC1CCN(C(=O)C(=O)N[C@@H]2CCN(CC#N)C[C@@H]2O)CC1 1090629076 FEPQRVRLRNVTGZ-OLZOCXBDSA-N 308.382 -0.680 30 20 DBED C=CCCN1CC[C@H](NC(=O)c2cc(C(N)=O)c[nH]2)[C@H](O)C1 1090674956 CHDILFSLWVVZCC-WCQYABFASA-N 306.366 -0.145 30 20 DBED CC(=O)N(C)CC(=O)NC1[C@@H]2CN(c3ccnc(C#N)n3)C[C@@H]12 1093216848 ALNUPNOSXGNHRF-GHMZBOCLSA-N 314.349 -0.623 30 20 DBED CN1C(=O)CCC[C@@H]1C(=O)NCCNc1ccc(C#N)nn1 1093786200 SOEHKOUCHSFHMV-LLVKDONJSA-N 302.338 -0.113 30 20 DBED N#CCN1CC(n2cc(CNC(=O)c3ccc(O)nn3)nn2)C1 1094270925 KHFQXLLVVQDLKL-UHFFFAOYSA-N 314.309 -0.916 30 20 DBED Cn1cccc1C(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1 1094708231 XTBZLXLMEBOXTJ-LLVKDONJSA-N 301.350 -0.436 30 20 DBED CC#CCN1CC(N2C[C@H](NC(=O)[C@]3(C)CCOC3)CC2=O)C1 1094801350 KXWKFBFLBAOQFQ-CXAGYDPISA-N 319.405 -0.162 30 20 DBED CN(CCCNC(=O)CCn1cnnn1)c1ccc(C#N)nn1 1095619478 ZJWDRCGBZADQJP-UHFFFAOYSA-N 315.341 -0.632 30 20 DBED C#CCO[C@@H](C)C(=O)NCCCN(C)c1nccn2nnnc12 1095639174 UJMSITIVDCJZSA-NSHDSACASA-N 317.353 -0.500 30 20 DBED CCN(CCCNC(=O)Cn1cnnn1)c1cncc(C#N)n1 1095824950 KJIRHZYVIBNXHY-UHFFFAOYSA-N 315.341 -0.632 30 20 DBED N#Cc1cnc(N2CCC[C@@H](NC(=O)CNC(N)=O)C2)c(F)c1 1096138562 WSAIPYFUMDYHIR-SNVBAGLBSA-N 320.328 -0.154 30 20 DBED N#Cc1nccnc1N1CC[C@H](NC(=O)CCCC(N)=O)C1 1096391099 BWILNDZMXLGRTH-JTQLQIEISA-N 302.338 -0.301 30 20 DBED CN(C)CCOCC(=O)N[C@@H]1CCN(c2cnc(C#N)cn2)C1 1096401414 TXPBBWMATVBKQN-GFCCVEGCSA-N 318.381 -0.379 30 20 DBED C[C@H](CC(N)=O)C(=O)N[C@H]1C[C@H](N=c2cc[nH]cc2C#N)C1 1097086689 UWNCSCKOQBNANL-YUSALJHKSA-N 301.350 -0.054 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H](C)Nc1cc(OCC)ncn1 1097768709 QVADJUCDLCAVRV-NSHDSACASA-N 319.365 -0.069 30 20 DBED C[C@H](CNC(=O)CCn1ccnn1)Nc1nccnc1C#N 1097780276 UMZRFJGOTUBULH-SNVBAGLBSA-N 300.326 -0.053 30 20 DBED C=CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cn(C)c(=O)n(C)c1=O 1097968191 OUDPETDZPYSITK-RTXFEEFZSA-N 318.377 -0.395 30 20 DBED C[C@H](CNC(=O)c1nc2ncccn2n1)N=c1cc[nH]c(C#N)n1 1097997953 AHSAGDKEFPFOOJ-SECBINFHSA-N 323.320 -0.562 30 20 DBED N#CCSCC(=O)N1CC[C@H](n2cc(CNCCO)nn2)C1 1098619067 RXOIATOHBFYWEC-LBPRGKRZSA-N 324.410 -0.610 30 20 DBED N#CCNCc1cn([C@@H]2CCN(C(=O)c3cc[nH]n3)C2)nn1 1098622154 BMTPKMRNRXNPNN-LLVKDONJSA-N 300.326 -0.298 30 20 DBED N#CCNCc1cn([C@@H]2CCN(C(=O)c3ccncn3)C2)nn1 1098750929 FPCOZBUXYCNBBT-GFCCVEGCSA-N 312.337 -0.232 30 20 DBED C[C@H](CCNC(=O)CS(C)(=O)=O)Nc1cncc(C#N)n1 1098854121 VPBGCXXLNOMGME-SECBINFHSA-N 311.367 -0.300 30 20 DBED C[C@@H](CCNC(=O)[C@]1(C)CNC(=O)C1)N=c1cc[nH]c(C#N)n1 1099597718 JEJXLMJMOPTFEW-BONVTDFDSA-N 316.365 -0.397 30 20 DBED C=C(C)CCN1CC[C@@H](NC(=O)CS(C)(=O)=O)[C@@H](O)C1 1099718383 LVXFLXGPWSILNW-NEPJUHHUSA-N 304.412 -0.451 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)c2nnn(C)c2C)[C@@H](O)C1 1099749432 JHJGAXURLGRHRG-OLZOCXBDSA-N 323.397 -0.509 30 20 DBED C=CCCOCC(=O)N[C@@H]1CCN(Cc2nncn2C)C[C@H]1O 1100136171 IPUXTYOSGDYYIE-CHWSQXEVSA-N 323.397 -0.541 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)c2c[nH]c(C#N)c2)C1 1100254678 HDUQBGUCJFCOLB-UHFFFAOYSA-N 313.361 -0.266 30 20 DBED C#CCNC1CC(CNC(=O)Cn2ncn3nccc3c2=O)C1 1100724279 RVBMWUYKXBCTNY-UHFFFAOYSA-N 314.349 -0.991 30 20 DBED CCC(=O)NCC(=O)NC[C@H]1CCCN1c1ccnc(C#N)n1 1100809457 CZUFTCOLHJEKMW-LLVKDONJSA-N 316.365 -0.041 30 20 DBED CNC(=O)NCC(=O)NC[C@@H]1CCCN1c1ccc(C#N)nc1 1100915157 MGRXZHGVPZLLGP-LBPRGKRZSA-N 316.365 -0.033 30 20 DBED C=CCOCC(=O)NCCN(c1nccn2nnnc12)C1CC1 1101302993 PFOAZOYNWNUDEC-UHFFFAOYSA-N 317.353 -0.193 30 20 DBED CN(CCNc1ccc(C#N)cn1)C(=O)CN1CC(=O)NC1=O 1101720082 PMCMKPDZWBDMJY-UHFFFAOYSA-N 316.321 -0.625 30 20 DBED Cc1cc(N2C[C@@H]3C[C@H]2CN3C(=O)CNC(N)=O)c(C#N)cn1 1102535987 CACRPDVLUMIUMI-RYUDHWBXSA-N 314.349 -0.281 30 20 DBED CCOCCOCC(=O)NC[C@@H](C)CN=c1cc[nH]c(C#N)n1 1103993594 GSYARKSXGKZRFS-LBPRGKRZSA-N 321.381 -0.013 30 20 DBED C#CCNC(=O)CC(=O)N1CC(n2cc(CNCC=C)nn2)C1 1105218135 ZGKWMXCZLJRIKI-UHFFFAOYSA-N 316.365 -0.924 30 20 DBED CC#CCNCc1cn(C2CN(C(=O)[C@@H](COC)OC)C2)nn1 1105323981 MYTRWVJQFJBZOD-CQSZACIVSA-N 321.381 -0.564 30 20 DBED C[C@H]1CCN(CC(=O)N2CC(n3cc(CNCC#N)nn3)C2)C1 1105326804 GWQAVKBPQUFMGI-LBPRGKRZSA-N 317.397 -0.384 30 20 DBED CN(CCN(C)c1nccnc1C#N)C(=O)[C@H]1COCCN1C 1105373021 ISTAVZVQUNVOEJ-CYBMUJFWSA-N 318.381 -0.427 30 20 DBED CN(CCN(C)c1cnc(C#N)cn1)C(=O)[C@@H]1CCCNC1=O 1105485860 CUHZWAIOVYBWHE-GFCCVEGCSA-N 316.365 -0.231 30 20 DBED CC(=O)N[C@@H](C)C(=O)NC[C@H](O)CNc1ncc(C#N)cc1F 1105735372 PWBKXEVRRSWLAL-GZMMTYOYSA-N 323.328 -0.494 30 20 DBED CN1CCC[C@H]1C(=O)NC[C@H](O)CNc1ccc(C#N)cn1 1105755656 LZSPXLFETHNZQU-OLZOCXBDSA-N 303.366 -0.064 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H](O)CNC(=O)C[C@@H]1CCOC1 1105760874 ZBOGZDZCJMBZDD-AAEUAGOBSA-N 304.350 -0.309 30 20 DBED COCCCOCC(=O)NC[C@H](O)CNc1cnc(C#N)cn1 1105960016 WNWYKGVPEHGFIC-GFCCVEGCSA-N 323.353 -0.710 30 20 DBED COCCCOCC(=O)NC[C@@H](O)CNc1cncc(C#N)n1 1105960073 XQYXVERSYIXYDM-LBPRGKRZSA-N 323.353 -0.710 30 20 DBED Cc1ncc(C(=O)NC[C@H](O)CN=c2cc[nH]cc2C#N)n1C 1106093036 SRDDLINHZFPUHC-GFCCVEGCSA-N 314.349 -0.380 30 20 DBED C[C@@H]1CN(C(=O)C(C)(C)NS(C)(=O)=O)C[C@H]1CNCC#N 1106743547 OWIBVPAJNBVXLO-GHMZBOCLSA-N 316.427 -0.478 30 20 DBED C#CCN1CC(n2cc(CNC(=O)CCCCC(N)=O)nn2)C1 1107227553 LNRLALMCLJJHSS-UHFFFAOYSA-N 318.381 -0.570 30 20 DBED CC#CCN1CCO[C@@](C)(CNC(=O)CN2CCOCC2=O)C1 1107997328 XDOCOMUELZJCQC-INIZCTEOSA-N 323.393 -0.924 30 20 DBED C#CCN1CCN(C(=O)COCCC)[C@@H]2CS(=O)(=O)C[C@@H]21 1108462371 QOVAHCRVOMFJQW-QWHCGFSZSA-N 314.407 -0.644 30 20 DBED C=C(Cl)CN1CC(N2C[C@H](NC(=O)CC(N)=O)CC2=O)C1 1108525361 LIBWPYNXGCJVKS-SECBINFHSA-N 314.773 -0.984 30 20 DBED CC(=O)N(C)CC(=O)N[C@H](C)CN(C)c1ccnc(C#N)n1 1108827340 LVQCGFSKFWJQJK-SNVBAGLBSA-N 304.354 -0.233 30 20 DBED C[C@@H](CN(C)c1cnc(C#N)cn1)NC(=O)[C@@H]1COCCN1C 1108942798 DTMUUBOUNBJZTC-AAEUAGOBSA-N 318.381 -0.380 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1[C@H]2C[C@H]1N(c1nccnc1C#N)C2 1109703913 GYCAAVWLLIJBRE-JVLSTEMRSA-N 324.344 -0.819 30 20 DBED CN1C[C@H](C(=O)NCC2(Nc3ccnc(C#N)n3)CC2)NC1=O 1110301401 HLIHLJJZIRDJRH-SECBINFHSA-N 315.337 -0.567 30 20 DBED CC(=O)N(C)CC(=O)N[C@@]1(C)CCN(c2ccnc(C#N)n2)C1 1110722119 HLGYCPWOQGHKBY-HNNXBMFYSA-N 316.365 -0.088 30 20 DBED CCOCC(=O)NC[C@]1(O)CCN(c2ccc(C#N)nn2)C1 1111023110 WDYATHDRBJMULO-CQSZACIVSA-N 305.338 -0.558 30 20 DBED CN(C)CCC(=O)N(CCO)CCNc1cncc(C#N)n1 1111553778 SZJHRWGVUJLPIA-UHFFFAOYSA-N 306.370 -0.467 30 20 DBED CNC(=O)NCC(=O)N(C)CCCN(C)c1nccnc1C#N 1112191923 ZZFARHDYBJCQBR-UHFFFAOYSA-N 319.369 -0.438 30 20 DBED C[C@H](NC(=O)c1nccnc1N)[C@@H](C)N=c1cc[nH]c(C#N)n1 1112937989 LLCKPEBHOYNEGG-BDAKNGLRSA-N 312.337 -0.239 30 20 DBED COCCC1(C(=O)N2CCN(CC(=O)NCC#N)CC2)CC1 1112942465 ZOYRYTVFAGUSFR-UHFFFAOYSA-N 308.382 -0.413 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)[C@@H](C)Nc1cnc(C#N)cn1 1112976159 PYXDKNKCVMOTNV-GHMZBOCLSA-N 314.349 -0.207 30 20 DBED COCC#CCN1CCN(C(=O)[C@H](NC(N)=O)C(C)(C)C)CC1 1113541950 JFWMWLHBPSTVRU-ZDUSSCGKSA-N 324.425 -0.137 30 20 DBED C=CCC[C@@H](C)N1CCN(C(=O)c2cn(CC(N)=O)nn2)CC1 1113681361 RNVPPOCBXCROMR-GFCCVEGCSA-N 320.397 -0.124 30 20 DBED Cn1nnnc1CN1C[C@H]2[C@H](NC(=O)CSCC#N)[C@H]2C1 1113891201 NZNXXJMSXCVTRD-GDGBQDQQSA-N 307.383 -0.987 30 20 DBED C[C@H]1CCN(c2ccc(C#N)nc2)C[C@H]1NC(=O)CNC(N)=O 1113998476 YLVGYMDWJBIXGX-GXFFZTMASA-N 316.365 -0.047 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)C[C@@H](C)SC)[C@@H]2C1 1114149159 PULFRILKSMFKGA-IJLUTSLNSA-N 309.435 -0.076 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)/C=C\c3ccc[nH]3)[C@@H]2C1 1114183633 CAQLVMGHTCLIPN-HLMASZERSA-N 312.373 -0.176 30 20 DBED C#CCOCCC(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC3CC3)C[C@@H]21 1114266043 LLPHDGUWMCEWOB-HALDLXJZSA-N 319.405 -0.401 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3[nH]c(C)nc3C)[C@H]2C1 1114840508 MBGOLCNYUXEKFO-JYAVWHMHSA-N 315.377 -0.564 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)Cc3ccc[nH]3)[C@H]2C1 1115268558 YJGHXPNCEKIZRG-YYWXWVFPSA-N 314.389 -0.259 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCC(C2(C)OCCO2)CC1 1117394430 AADNRHOAOVOYQP-UHFFFAOYSA-N 324.377 -0.246 30 20 DBED C#CCN1CCN(C(=O)Cn2ncc(N(C)C)cc2=O)CC1 1118596072 JYNNAZJAEVJKGA-UHFFFAOYSA-N 303.366 -0.913 30 20 DBED C[C@@H](CN(C)C(=O)c1nnn(C)n1)N=c1cc[nH]cc1C#N 1120501050 AEOVPHVZURVBOS-VIFPVBQESA-N 300.326 -0.529 30 20 DBED CC[C@@H](C)OCC(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1 1121316946 FPLGLRYPQUAABZ-GHMZBOCLSA-N 307.354 -0.526 30 20 DBED Cc1nc(C(=O)N(C)C[C@H](O)CN=c2cc[nH]c(C#N)n2)co1 1124255962 BKUGCTYGCFIGDB-SNVBAGLBSA-N 316.321 -0.388 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)Cc1ccon1 1125103643 IHHPBACGEHCQJK-UHFFFAOYSA-N 307.354 -0.315 30 20 DBED COCC#CCNCCNC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 1127262527 ORSDODASVPITLK-GFCCVEGCSA-N 319.365 -0.882 30 20 DBED C#CCN1CCn2ncc(CNC(=O)C(C)(C)NC(C)=O)c2C1 1128521352 OCEHGIOOLDMJHW-UHFFFAOYSA-N 317.393 -0.137 30 20 DBED CCOCC(=O)N1C[C@H](n2ccnn2)[C@H](NCC#CCOC)C1 1129565046 NYJKPWKCURHLNC-KGLIPLIRSA-N 321.381 -0.694 30 20 DBED C#CCN1CC[C@@H](c2n[nH]cc2CNC(=O)CNC(=O)CC)C1 1130361003 DJTBZBYLQAVCTE-GFCCVEGCSA-N 317.393 -0.025 30 20 DBED C#CCCN[C@@H]1CN(C(=O)CC(=O)NC)C[C@H]1c1cncn1C 1130973287 YXAMDMDTVXSOEO-CHWSQXEVSA-N 317.393 -0.537 30 20 DBED CC#CCN1CC[C@]2(C1)CN(C(=O)CNC(C)=O)C[C@H](C)O2 1131623755 AOCIVEMQSOPSEL-BBRMVZONSA-N 307.394 -0.162 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)c1cc(C)[nH]n1 1133866902 OHGJKOKDUDUWCZ-QWRGUYRKSA-N 305.382 -0.046 30 20 DBED C=CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)c1nccnc1N 1133952854 FMWRAWQGSOAGAR-WDEREUQCSA-N 320.397 -0.153 30 20 DBED C=CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)c1cnc(O)n1C 1135188402 KNCDZCLUCLDJAZ-QWRGUYRKSA-N 323.397 -0.086 30 20 DBED CC(C)c1nnsc1C(=O)NCCNCC(=O)NCC#N 1135620208 OCQQOOLNOLRQPH-UHFFFAOYSA-N 310.383 -0.379 30 20 DBED CC#CCN[C@@H](C)C[C@@H](C)NC(=O)CNC(=O)Cn1cncn1 1146561853 KSKBUGLTLLBIDI-QWHCGFSZSA-N 320.397 -0.710 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)[C@H](OC)C1CC1)C2 1147445849 LYRCYVBYSYAWFL-OAHLLOKOSA-N 319.405 -0.305 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)[C@H]1C[C@@H](C)CO1)C2 1147920191 IJLPJTMWZMRXPV-ZIAGYGMSSA-N 319.405 -0.305 30 20 DBED N#CCNC(=O)CN1CCC2(C1)CN(C(=O)[C@H]1CC13CC3)C2 1148335209 RKMJWGMOZLERSU-GFCCVEGCSA-N 302.378 -0.039 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)c2cnn3cc[nH]c23)C1=O 1149042101 IIXZJCBCXFBMJQ-LBPRGKRZSA-N 316.365 -0.231 30 20 DBED C=CCC1(C(=O)NCCN[C@H]2CCC(=O)NC2=O)CCOCC1 1149317792 OCNFMMXJKBAHNU-LBPRGKRZSA-N 323.393 -0.130 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@H]1CN(CCCO)CCCO1 1149623520 KQMSBBWZNJJFSQ-HIFRSBDPSA-N 300.399 -0.097 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)[C@]1(C)CCC(=O)NC1 1164441538 BKZXDEVGXMDRTD-BLLLJJGKSA-N 322.409 -0.864 30 20 DBED C=CCO[C@H](C)C(=O)NCCCNCCNS(C)(=O)=O 1177277642 UTLMWAQJYVRBIW-LLVKDONJSA-N 307.416 -0.777 30 20 DBED C#CCNC(=O)CNCCCCCCNC(=O)c1cn(C)nn1 1178383803 BJGDLUQJEMGBRE-UHFFFAOYSA-N 320.397 -0.556 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@]1(C)CN(C(=O)CC(N)=O)C[C@H]1C 1180961109 ZRYDGJJAEGIPSI-BFQNTYOBSA-N 322.409 -0.926 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](NCc2nnnn2CCC)C1 1182522982 SXAVNGHXMKUHIM-CYBMUJFWSA-N 320.397 -0.187 30 20 DBED C#CCNC[C@@H]1CCN(C(=O)CN2C(=O)CN(C)C2=O)C[C@@H]1C 1185642914 VPINPCAPKUBVFB-STQMWFEESA-N 320.393 -0.412 30 20 DBED CCC(=O)N1C[C@H](CNCC(=O)NCC#N)C2(CCOCC2)C1 1186203442 LZORVNNKVSMOBG-ZDUSSCGKSA-N 322.409 -0.119 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](N(C)Cc2nc(C)no2)C1 1189760228 JCGVESDPEHVUOT-LBPRGKRZSA-N 319.365 -0.450 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2c(C)ncn2C)C1 1190790442 ZJPUIPTXLIFGEL-CYBMUJFWSA-N 317.393 -0.376 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(Cc2nnnn2C(C)C)C[C@H]1O 1192722671 PNVMAQYPRWUKQA-CHWSQXEVSA-N 320.397 -0.425 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2noc(CC)n2)C[C@H]1O 1192886454 QJKYJZVGCPTKPW-VXGBXAGGSA-N 322.365 -0.667 30 20 DBED C=C(C)CCC(=O)N[C@@H]1CN(CCS(C)(=O)=O)C[C@H]1O 1193400623 UNPDHQVKPIMQCI-VXGBXAGGSA-N 304.412 -0.451 30 20 DBED C#CCCCCCC(=O)N[C@@H]1CN(CC(=O)NCC)C[C@H]1O 1195339521 YYYIRHACBGAZKD-ZIAGYGMSSA-N 309.410 -0.133 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)c2nonc2C)CC1 1198367872 BPJHXGKPMBDQRF-UHFFFAOYSA-N 307.354 -0.172 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)CNC(=O)c2cc(C)oc2C)C1 1198785769 RWSVGUBKFAXYAK-ZIAGYGMSSA-N 319.361 -0.579 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)CN(C)C(C)=O)CC1 1199406906 LVEUIGPYZFZJKS-UHFFFAOYSA-N 310.398 -0.653 30 20 DBED C=CCNC(=O)CNC[C@H]1CN(C(=O)CCOC)CCCO1 1199653266 MYPIEUSRCDGCHZ-ZDUSSCGKSA-N 313.398 -0.468 30 20 DBED C[C@H](C(=O)N1CCCO[C@@H](CNCC(=O)NCC#N)C1)C1CC1 1200190000 MMFUIYJRGKTRMP-JSGCOSHPSA-N 322.409 -0.121 30 20 DBED CC(C)C#CC(=O)N1CCC(NCc2nc(=O)n(C)[nH]2)CC1 1200442153 SQSYSCIUFXNVDE-UHFFFAOYSA-N 305.382 -0.152 30 20 DBED C=C(C)CNC[C@H]1CN(C(=O)[C@H]2CN(C)C(=O)N2)CCCO1 1201154052 BXXOOPDZGMVAFT-QWHCGFSZSA-N 310.398 -0.207 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CCN(C(=O)c2cnn[nH]2)CC1 1201428726 PERCDEZIXYQWBM-SNVBAGLBSA-N 304.354 -0.863 30 20 DBED C#CCNC(=O)CNC[C@H]1CN(C(=O)[C@@H]2C[C@H]2CC)CCCO1 1201448480 UBAKEWKIKLOMFZ-QLFBSQMISA-N 321.421 -0.011 30 20 DBED C#CCNC[C@H]1CN(C(=O)[C@@H](C)CS(C)(=O)=O)CCCO1 1202174152 QTPDMDZFFJDMKW-STQMWFEESA-N 316.423 -0.493 30 20 DBED CS(=O)(=O)NCCN[C@H]1CCCN(C(=O)C#CC2CC2)C1 1207998208 DIRIPEXVSYOLDX-ZDUSSCGKSA-N 313.423 -0.470 30 20 DBED CCc1n[nH]cc1C(=O)N1CCC[C@H](NCC(=O)NCC#N)C1 1208473962 HAYIZLVIDNUQLT-NSHDSACASA-N 318.381 -0.194 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(CC(=O)NCC)C[C@H]1OC 1212194840 YOBWXCVHZNGVAD-JMSVASOKSA-N 313.398 -0.735 30 20 DBED C#CCCN1C[C@@H](NC(=O)CCCCNC(N)=O)[C@H](OC)C1 1213137252 MGNSQJGNRNGHIO-CHWSQXEVSA-N 310.398 -0.336 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)Cn2cccn2)C[C@H]1C 1214137666 ONJXNUOVXRBDOF-CHWSQXEVSA-N 305.382 -0.378 30 20 DBED C=CCOCCN[C@@H]1CN(C(=O)CCn2cnnn2)C[C@H]1C 1216050028 NFCVPOJKMZSIDT-CHWSQXEVSA-N 308.386 -0.298 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2ccsc2)C1 1219155392 DWOMMBSLHPPOIO-NEPJUHHUSA-N 307.375 -0.728 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CN(CC(=O)Nc2ccccc2)C[C@@H]1O 1219366321 YMLYTSAIGIDQJQ-BNOWGMLFSA-N 316.361 -0.054 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(C[C@H]2CCCOC2)C[C@@H]1O 1219613991 XHRIILWZCPYGKI-KFWWJZLASA-N 310.394 -0.386 30 20 DBED C=CCNC(=O)CN1CC[C@@H]2CN(C(=O)[C@@H]3[C@H]4COC[C@H]43)[C@@H]2C1 1221752334 NWZRRCDKIREZQP-SSZWKKLZSA-N 319.405 -0.286 30 20 DBED C#CCN1CCC(CNC(=O)[C@@H](CCC(N)=O)NC(C)=O)CC1 1224854934 GSLAECGFNXVXOH-CQSZACIVSA-N 322.409 -0.782 30 20 DBED C#CCN1CCS(=O)(=O)[C@@H](CCNC(=O)c2cc(C)[nH]n2)C1 1230425108 BPCDHFIHIKYNQV-LBPRGKRZSA-N 324.406 -0.430 30 20 DBED C[S@@](=O)C1(CNC(=O)C(=O)N2CCO[C@H](C#N)C2)CCC1 1261198623 QTJVFYYOWYOQJW-LADRHHBVSA-N 313.379 -0.845 30 20 DBED N#Cc1ccsc1NC(=O)C(=O)NCCN1C(=O)CCC1=O 1261239695 XLPONNDRLLYDQB-UHFFFAOYSA-N 320.330 -0.177 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)C2CCC(O)CC2)C1 1269121629 HDHXLXJOVQPKEM-ROKHWSDSSA-N 307.394 -0.523 30 20 DBED C=CCN(CC(=O)OCC)C(=O)Cn1ncn2nccc2c1=O 1318420875 KPRYBDFQIVKQPI-UHFFFAOYSA-N 319.321 -0.531 30 20 DBED CC(C)(C)C(=O)NCC(=O)NCCN/C(O)=C1\N=CC=CC1=O 1318694181 KSWYRCRTZFYEID-OUKQBFOZSA-N 322.365 -0.209 30 20 DBED C[C@H](OC(=O)CCN/C(O)=C1/N=CC=CC1=O)C(=O)N(C)C 1319053989 OKZOQRLRQCPURY-LZTQFINJSA-N 309.322 -0.077 30 20 DBED C#CCOCCNC(=O)C(=O)Nc1cc(C)nn1CCC#N 1320339076 IISGIGZXXWCOCK-UHFFFAOYSA-N 303.322 -0.190 30 20 DBED N#CCNC(=O)CNC(=O)N1CC[C@H](C(=O)N2CCCC2)C1 1323414646 ZPQLNQROCDZUNP-NSHDSACASA-N 307.354 -0.720 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)NCC(C)(C)S(C)(=O)=O 1324202683 JCRJGLPBDQIYHB-SECBINFHSA-N 306.384 -0.757 30 20 DBED Cn1cnc(NC(=O)C(=O)NCCNc2ccc(C#N)cn2)n1 1324953451 IQVQIBIZCBFXPF-UHFFFAOYSA-N 314.309 -0.751 30 20 DBED C#CCNC(=O)CN1CCN(c2cc(C)nc(CO)n2)CC1 1326460620 KJATWLYLLGOTQB-UHFFFAOYSA-N 303.366 -0.851 30 20 DBED CNS(=O)(=O)[C@H]1CCCN(C(=O)[C@@H](N)CCCC#N)C1 1327855861 GIYCHJSPYKNBJA-QWRGUYRKSA-N 302.400 -0.452 30 20 DBED C=C(C)CN(C)C(=O)C(=O)N1CCN(C(C)(C)C(N)=O)CC1 1329557404 MTYDUIRAMJBJNG-UHFFFAOYSA-N 310.398 -0.571 30 20 DBED N#Cc1cnn2cc(CNCCCn3cc(CO)nn3)cnc12 1332435163 FUXTYXIZROJKOW-UHFFFAOYSA-N 312.337 -0.135 30 20 DBED C#CCOCCn1nnnc1N1CCC(N2CCOC2=O)CC1 1336017866 KWJILCMDGLTVTE-UHFFFAOYSA-N 320.353 -0.256 30 20 DBED COC(=O)C[C@H]1CN(C(=O)C(=O)N2CCC[C@H](C#N)C2)CCO1 1353023701 LUMMMZBIWBPKTJ-NEPJUHHUSA-N 323.349 -0.461 30 20 DBED CO[C@@H](CNC(=O)CCn1cc(C#N)c(O)nc1=O)C(C)C 1362179033 PGNACXQENUIGAY-NSHDSACASA-N 308.338 -0.002 30 20 DBED CC[C@H](CNC(=O)CN(C)C(C)=O)NC(=O)c1cc(C#N)c[nH]1 1388018987 ODMLJCLIWYNZIG-GFCCVEGCSA-N 319.365 -0.011 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CN(C)C(=O)Cn2ncnn2)CC1 1398510399 VZSBACJXSSZYQI-NSHDSACASA-N 319.369 -0.470 30 20 DBED CCCNC(=O)CN1CCN(CCN(C)C(=O)[C@H](C)C#N)CC1 1400199205 LMQDERIVLXDSIY-CQSZACIVSA-N 323.441 -0.252 30 20 DBED COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1ccc(C#N)cn1 1411493431 KFVSPDHDYWWOKB-IUCAKERBSA-N 304.306 -0.251 30 20 DBED C[C@H](C#N)C(=O)N(C)C1CCN(C(=O)Cn2cnnn2)CC1 1412267311 WKJCEDCSODTVAN-SNVBAGLBSA-N 305.342 -0.718 30 20 DBED C[C@H]1C[C@@H](C(=O)NCCn2cc(C#N)c(O)nc2=O)CCO1 1412369262 BWYKDKRXFOAIIW-UWVGGRQHSA-N 306.322 -0.248 30 20 DBED CCN(CCNC(=O)[C@@H]1COC(=O)N1)C(=O)c1cc(C#N)c[nH]1 1415662587 ACKWYECAMPIVCP-NSHDSACASA-N 319.321 -0.427 30 20 DBED CNS(=O)(=O)[C@@H]1CCN(C(=O)CNc2ccc(C#N)cn2)C1 1446521345 SQNRBBMJPKERKN-LLVKDONJSA-N 323.378 -0.485 30 20 DBED N#CCC1(CS(=O)(=O)NC[C@H]2CC(C(N)=O)=NO2)CC1 1475206297 ZFWCWSVBAHUIBT-MRVPVSSYSA-N 300.340 -0.770 30 20 DBED C[C@H](CC(N)=O)C(=O)NC[C@H](O)CNCc1ccc(C#N)s1 1482757824 RBIWDPHAACZVKB-NXEZZACHSA-N 324.406 -0.302 30 20 DBED C[C@@H]1CN(CC(=O)N(CCC#N)CCC#N)C[C@@H](C(=O)O)O1 1571102547 MYQTUFFGTAGGTM-NEPJUHHUSA-N 308.338 -0.184 30 20 DBED CN(c1[nH]c(=O)n(C)c(=O)c1-c1nn[nH]n1)[C@@H]1CCC[C@H]1C#N 1579266056 BTCTYFOZEJQYLG-JGVFFNPUSA-N 316.325 -0.618 30 20 DBED C#C[C@H](NC(=O)[C@@H]1CCCN(CC(=O)O)C1=O)C1CCOCC1 1588387541 KEDCNUNIWKCGQS-STQMWFEESA-N 322.361 -0.146 30 20 DBED CCCCOCCNC(=O)Cn1cnc(-c2nn[nH]n2)c1C#N 1590613401 YCHUUTXCUHDPAJ-UHFFFAOYSA-N 318.341 -0.132 30 20 DBED CN(C)C[C@@](C)(C#N)NC(=O)CN1CCC[C@H](C(=O)O)C1=O 1598199261 CZBOIPPMAZIIFH-IINYFYTJSA-N 310.354 -0.730 30 20 DBED CS(=O)(=O)CCS(=O)(=O)N1CCC(C#N)(C(=O)O)CC1 1599751902 UOFRFQGFVOKUJL-UHFFFAOYSA-N 324.380 -0.949 30 20 DBED N#Cc1ccc([C@H](C(N)=O)N2C[C@@H](O)C[C@@H](C(=O)O)C2)cc1 1601095106 HQEMURAKZMNWSU-FRRDWIJNSA-N 303.318 -0.148 30 20 DBED O=C(NCCN/C(O)=C1\N=CC=CC1=O)N[C@H]1C[C@@H](C(=O)O)C1 1601503199 BWJFJRUPKYYIJN-DDXZLFSCSA-N 322.321 -0.325 30 20 DBED C=CC[C@@H](C(=O)OC)N1CCN([C@@]2(C(=O)O)CCOC2)CC1 1602836381 OZVWBAUHYDCPLU-WFASDCNBSA-N 312.366 -0.035 30 20 DBED COC(=O)CCN(CC(=O)O)S(=O)(=O)CCCCC#N 1604317292 KYAFROYBSABOGH-UHFFFAOYSA-N 306.340 -0.040 30 20 DBED N#Cc1c[nH]c(C(=O)NC2(CNC(=O)[C@@H]3C[C@@H]3C(=O)O)CC2)c1 1608195847 YQVKCXAOYWUBPH-ZJUUUORDSA-N 316.317 -0.014 30 20 DBED C#C[C@H]1COCCN1S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 1609020383 ZWXUOAUEECBAKE-NSHDSACASA-N 319.346 -0.111 30 20 DBED C=CCNC(=O)CNC(=O)NCc1ccc(-c2nn[nH]n2)cn1 1609058590 IQDDILNMEOJOBO-UHFFFAOYSA-N 316.325 -0.637 30 20 DBED COc1cnc(C(=O)NCCN2CCN(CC#N)CC2)nc1 1752367769 SUMNTAQNTBVCOH-UHFFFAOYSA-N 304.354 -0.644 30 20 DBED CNC(=O)NCC(=O)NC[C@@H]1CCCN(CC#CCOC)C1 1752783532 JQVQPWGLWKIEJW-ZDUSSCGKSA-N 310.398 -0.607 30 20 DBED C[C@H](CNC(=O)[C@@H]1CCc2cncn2C1)NCC(=O)NCC#N 1752882597 YPGUJZFYXBNLHS-VXGBXAGGSA-N 318.381 -0.820 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@@H](CNCC(=O)N(C)C)C1 1752940814 SVZDGLYJIPRWRE-GJZGRUSLSA-N 320.437 -0.390 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)CCNC(=O)[C@H](NC(C)=O)C(C)C 1753071527 RNOFXCGVMGHTBS-TZMCWYRMSA-N 324.425 -0.667 30 20 DBED COCC#CCNCCN(C)C(=O)[C@H](C)CN1CCOCC1 1753262107 SADLREFTPFEYRQ-OAHLLOKOSA-N 311.426 -0.348 30 20 DBED C=C(C)CCC(=O)NC1CN(CC(=O)N[C@@H](C)C(=O)N(C)C)C1 1753379556 UJAAAYSIZRCKRR-LBPRGKRZSA-N 324.425 -0.264 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CN([C@@H](C)C(=O)NC(N)=O)C1 1753389044 YDMHMSAWTMJWQA-DLOVCJGASA-N 324.381 -0.649 30 20 DBED CCOCCC(=O)N(CC)[C@H]1CCN(CC(=O)NCC#N)C1 1753453111 LCMWOYXPUHXBPL-ZDUSSCGKSA-N 310.398 -0.024 30 20 DBED C=CCN1CC[C@H](NC[C@@H](C)CNC(=O)Cc2nc[nH]n2)C1=O 1753638226 LNWGGCGTSSZAKJ-NEPJUHHUSA-N 320.397 -0.524 30 20 DBED COc1cccc(OC)c1CC(=O)NC[C@@H](O)CNCC#N 1753918304 LWEOJHUDKLFSGE-NSHDSACASA-N 307.350 -0.163 30 20 DBED C#CCNC(=O)[C@H](C)N(C)C[C@@H](C)NC(=O)c1c(C)ncn1C 1754315985 LOBADKMCCHOZSO-YPMHNXCESA-N 319.409 -0.083 30 20 DBED C#CCNC(=O)CN1CC[C@@](C)(NC(=O)[C@H](OC)C2CC2)C1 1754672947 RIENTXOCKMLDSI-GDBMZVCRSA-N 307.394 -0.259 30 20 DBED C#CCN1CCC[C@](C)(CNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 1754730616 JKTNPDCXFXRDDU-XHDPSFHLSA-N 306.366 -0.564 30 20 DBED C#CCNC1(CNC(=O)CS(=O)(=O)CCC)CCOCC1 1754742310 ANDRIYVUBFLJKK-UHFFFAOYSA-N 316.423 -0.301 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@]1(O)CCN(Cc2nccn2C)C1 1754751544 OEQBXHASUYIIOG-CJNGLKHVSA-N 320.393 -0.489 30 20 DBED CC[C@H](C)NC(=O)[C@H](C)N1CC(O)(CNC(=O)C#CC2CC2)C1 1754767679 PLAOGZXESJJBJE-STQMWFEESA-N 321.421 -0.134 30 20 DBED C#CCNC(=O)CN(C)C[C@@H]1CCCN1C(=O)Cn1ccnc1 1755202502 GYLKACSWABRNCY-AWEZNQCLSA-N 317.393 -0.445 30 20 DBED C=CCNC(=O)CN(C)[C@@H](C)CNC(=O)[C@@H]1CCNC(=O)C1 1755298455 RNXJDTDDQGYEHC-NWDGAFQWSA-N 310.398 -0.749 30 20 DBED C=CCCN[C@H](C)CN(C)C(=O)CCn1cc[nH]c(=O)c1=O 1755612167 CVKSEOMMSPZHDS-GFCCVEGCSA-N 308.382 -0.061 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H](CO)CNC(=O)c1ncoc1CC 1755626270 CIGVAWMKRVQKRK-MNOVXSKESA-N 322.365 -0.945 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)c2ccn(C)n2)[C@@H]1C 1755666603 GLRPEVCWUGNIHM-NEPJUHHUSA-N 305.382 -0.085 30 20 DBED C#CCNC(=O)CN[C@@H]1C[C@H](C)N(C(=O)c2ccn(C)c2)C1 1755673003 FJGXQKDVKXZKID-GXTWGEPZSA-N 302.378 -0.033 30 20 DBED COCC#CCNC[C@H](O)CN(C)C(=O)c1cn2c(n1)CCC2 1755779502 LIBRTWWGLHGXCJ-ZDUSSCGKSA-N 320.393 -0.498 30 20 DBED C=C[C@](C)(O)CC(=O)NC1CC(CNC(=O)c2ncn(C)n2)C1 1755933822 HJVTVTCBAZKXBG-NWHVRFAMSA-N 321.381 -0.233 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CCN(C(=O)c2cc[nH]n2)[C@@H]1C 1756555770 OZYZAUNMXNJLIM-MNOVXSKESA-N 317.349 -0.732 30 20 DBED C[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC#N)[C@H]2C1 1786706452 XYFVJNJNOKGOEO-VOAKCMCISA-N 309.366 -0.349 30 20 DBED CNCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC#N 1795083029 FTZMAPWIFRSAJL-JJLQDPRZSA-N 308.382 -0.511 30 20 DBED N#CCCC(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834760545 NNTPAMZPSUZXMF-OAHLLOKOSA-N 320.349 -0.340 30 20 DBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/OCC)C2)C1 1839811403 RXLXBBQDWCNJLX-WHWKNOJMSA-N 322.361 -0.374 30 20 DBED C#CCCCNC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 172946562 OLKNYICRUYYRFZ-CQSZACIVSA-N 307.394 -0.303 30 20 DBED CC(C)[C@@H](C#N)N1CCN(C(=O)CNC(C)(C)CC(N)=O)CC1 186238397 HNFJYRKYMDJRBH-CYBMUJFWSA-N 323.441 -0.078 30 20 DBED COCC[C@@H](CO)NC(=O)CNC(=O)c1ccc(C#N)cc1 281143206 AHUBGVUFVOGEQN-ZDUSSCGKSA-N 305.334 -0.198 30 20 DBED CCCN1CCCN(C(=O)NCCn2cnc(C#N)n2)CC1=O 287745872 DSZGEHBJKGDFQO-UHFFFAOYSA-N 319.369 -0.196 30 20 DBED CC/N=C(/O)N1CC[C@H](NC(=O)CN(C)C(=O)COC)C1 330486920 FACYZRIILBNSLE-JTQLQIEISA-N 300.359 -0.784 30 20 DBED CC/N=C(/O)NC(=O)[C@H](C)N(CC)[C@H]1CCS(=O)(=O)C1 330606079 NHTYYCVTWQNJGR-UWVGGRQHSA-N 305.400 -0.066 30 20 DBED CN(CC1(O)CCOCC1)C(=O)CNc1ccc(C#N)cn1 331269151 FCKVBLJICLBDEN-UHFFFAOYSA-N 304.350 0.365 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CC[C@@H](S(C)(=O)=O)C1 337071423 YPGFZHCPUIHJKF-WDEREUQCSA-N 323.440 -0.168 30 20 DBED C[C@H](C#N)CN(C1CC1)S(=O)(=O)N1CCS(=O)(=O)CC1 338326015 UBQVTYBUQPEWRB-SNVBAGLBSA-N 321.424 -0.414 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N=c2cc[nH]cc2F)C1=O 339955542 ODHHRBCJTDVGAA-UHFFFAOYSA-N 306.253 -0.442 30 20 DBED CN(C)C(=O)[C@@H]1CC[C@@H](CNS(=O)(=O)N(C)CCC#N)O1 341227717 KFOYGHKVCALENQ-QWRGUYRKSA-N 318.399 -0.698 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O 346686301 KISXLIKGNPSTNX-YFKTTZPYSA-N 308.382 -0.028 30 20 DBED C[C@H]1CO[C@H](C)CN1S(=O)(=O)NCCn1cnc(C#N)n1 352650747 ZEOPDZNTFJUMAM-VHSXEESVSA-N 314.371 -0.907 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCO[C@@H](C)C2)C1=O 354235953 MPUUAXNVFWKGAE-XQQFMLRXSA-N 323.393 -0.085 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N1CCNC(=O)C[C@H]1C 374713231 DYHCXSRMKIUUBL-SNVBAGLBSA-N 303.384 -0.493 30 20 DBED C=CCS(=O)(=O)NC(=O)C1CCN(S(=O)(=O)CC)CC1 408271713 YJTJGNJOEDXOIZ-UHFFFAOYSA-N 324.424 -0.320 30 20 DBED C=CCCCS(=O)(=O)N(C)C[C@@H](O)CN1CCOCC1 489562769 VWGVGNITGHDXAN-CYBMUJFWSA-N 306.428 -0.093 30 20 DBED C#C[C@H](CC)NC(=O)C(=O)Nc1ccc(S(C)(=O)=O)nc1 491439048 HUWAOVAHJJNKIS-SECBINFHSA-N 309.347 -0.048 30 20 DBED C=CCNC(=O)CNc1cc(C)nc2nc(C(=O)OC)nn12 540710765 MVNMDPRMTJVKKS-UHFFFAOYSA-N 304.310 -0.067 30 20 DBED CC1(O)CN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1 562206372 BPYMRDIXUGQDCP-UHFFFAOYSA-N 309.347 -0.570 30 20 DBED C[C@@H]1C[C@H](CO)CN(S(=O)(=O)N2CCO[C@H](C#N)C2)C1 570060488 KSIGRNHRPYNLIY-GRYCIOLGSA-N 303.384 -0.594 30 20 DBED Cc1noc(C)c1S(=O)(=O)NCC(=O)NC[C@@H](C)C#N 571335302 MICHHWNEHKJKML-ZETCQYMHSA-N 300.340 -0.154 30 20 DBED COC(=O)[C@@H](CO)NCCS(=O)(=O)c1ccc(C#N)cc1 592429147 APEYCGSPNRWPQN-GFCCVEGCSA-N 312.347 -0.545 30 20 DBED C=CCCSCCNC(=O)C(=O)N1CCN(C)C[C@@H]1CN 595281377 AFYGPTNKTYGWKG-LBPRGKRZSA-N 314.455 -0.487 30 20 DBED C=CCOC[C@H]1NC(=O)N(CCCN(C)S(C)(=O)=O)C1=O 672060744 AFDFMYFDURUPQM-SNVBAGLBSA-N 319.383 -0.609 30 20 DBED C=CCC1(O)CCN(S(=O)(=O)C[C@@H]2CNCCO2)CC1 717855935 RQDLDYHVMYYZJS-LBPRGKRZSA-N 304.412 -0.292 30 20 DBED C#CCOCCC(=O)N(CCOC)[C@@H]1CCS(=O)(=O)C1 755863161 UUJATHIDOLQGMZ-GFCCVEGCSA-N 303.380 -0.312 30 20 DBED C#C[C@@H](CC)OC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 768058095 CQWIKVJTGOWDBL-JTQLQIEISA-N 318.333 -0.221 30 20 DBED C#C[C@H](NC(=O)N1CCN(CCOC)C(=O)C1)[C@H]1CCCO1 773550505 WNBDKDZFWCBTEC-QWHCGFSZSA-N 309.366 -0.333 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)c1cc(-c2nn[nH]n2)c[nH]1 819750631 HZIVOSUBDQACGB-UHFFFAOYSA-N 319.281 -0.637 30 20 DBED CC(C)(C)C(=O)Cn1cc(C(=O)N(CC#N)CC(=O)O)nn1 826130115 GHPYFGORAQDHGZ-UHFFFAOYSA-N 307.310 -0.056 30 20 DBED C=CCN(CC=C)C(=O)[C@@H](C)OC(=O)[C@@H]1CCS(=O)(=O)N1 845368011 LDJOBQPXBQATJR-MNOVXSKESA-N 316.379 -0.190 30 20 DBED Cc1c(C(=O)N[C@@H]2CCCN(O)C2=O)nnn1-c1cnn(C)c1 848131444 GMDXSMVKSPHCCO-SNVBAGLBSA-N 319.325 -0.581 30 20 DBED CCN1C[C@@H](CN/C(=N/C)NCCN2CCOCC2)CC1=O 849050007 WRJCUCAFJUOXQE-CYBMUJFWSA-N 311.430 -0.648 30 20 DBED C#CCN1CCC[C@@H](NS(=O)(=O)CCOCCOC)C1 885512707 YDSBGNZIBXRANG-CYBMUJFWSA-N 304.412 -0.334 30 20 DBED C#CCNC(=O)C1CCN(C(=O)N[C@@H]2C[C@H](C)OC2=O)CC1 896336186 LRVUMUXEEJAUNA-CMPLNLGQSA-N 307.350 -0.139 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@@H](C)c2cnccn2)CC1 906554520 DGGLWCZUHMSLRP-ZDUSSCGKSA-N 315.377 -0.526 30 20 DBED C[C@@H](NS(C)(=O)=O)C(=O)NCCNc1ccc(C#N)cn1 920299413 CWYYJRRHRCABGP-SECBINFHSA-N 311.367 -0.581 30 20 DBED C#CCN1CCC[C@@H](NC(=O)[C@H](NS(C)(=O)=O)C(C)C)C1 923564414 YBBZIKYFLOHYBK-CHWSQXEVSA-N 315.439 -0.226 30 20 DBED CN(C(=O)c1nc[nH]n1)[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 937177931 WOFOSSPTFJRECO-JTQLQIEISA-N 313.321 -0.009 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](NC(=O)c2cn(C)ccc2=O)C1 941821424 KBSZXDOLRYFUKV-GHMZBOCLSA-N 302.334 -0.124 30 20 DBED C[C@@H](C#N)C(=O)N1CCCN(C(=O)c2cc(C(N)=O)c[nH]2)CC1 942091849 NIDCUOBKNJUJQC-JTQLQIEISA-N 317.349 -0.052 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H]2CCN2C(=O)Cn2cncn2)c1 949292017 AUNUWLPWMDVKTA-LLVKDONJSA-N 313.321 -0.491 30 20 DBED O=C1CC[C@H](C(=O)N[C@H]2CCCN(C(=O)C#CC3CC3)C2)N1 950758894 OGDGLSPGZSLPTE-QWHCGFSZSA-N 303.362 -0.214 30 20 DBED C=CC(C)(C)C(=O)N1CCC[C@H](NC(=O)Cn2cnnn2)C1 951540495 SMWFAGHTOOKMBS-NSHDSACASA-N 306.370 -0.008 30 20 DBED C#Cc1cncc(C(=O)N(CC)C2CN(CC(=O)NC)C2)c1 951719312 PDRWKSUSGSBWEI-UHFFFAOYSA-N 300.362 -0.045 30 20 DBED C[C@H](C#N)C(=O)N1CC(N(C)C(=O)[C@@H]2CCC(=O)N(C)C2)C1 954503516 AKNHBKWWAJBEAN-GHMZBOCLSA-N 306.366 -0.316 30 20 DBED C[C@]1(NC(=O)[C@H]2C[C@H]2C(N)=O)CCN(C(=O)C#CC2CC2)C1 957615682 APWFHCXHXMLHGP-WQGACYEGSA-N 303.362 -0.372 30 20 DBED C#CCN1C[C@H](CNC(=O)c2nnn(C(C)(C)C)n2)[C@@H](O)C1 958077139 QFSZPPGXHYZGNJ-QWRGUYRKSA-N 306.370 -0.916 30 20 DBED C=C(Cl)CN1C[C@H](CNC(=O)c2cncnc2O)[C@@H](O)C1 958166767 AMKSVKQOWSVXLT-ONGXEEELSA-N 312.757 -0.043 30 20 DBED CC#CCN1C[C@H](O)[C@H](CNC(=O)c2nc[nH]c3nccc2-3)C1 958220153 UEMMBZHWPRWKTJ-YPMHNXCESA-N 313.361 -0.045 30 20 DBED CC#CCN1C[C@@H](O)[C@@H](CNC(=O)c2c(C)nn(C)c2OC)C1 958447868 KBGJIKLSPNFMHS-QWHCGFSZSA-N 320.393 -0.217 30 20 DBED C#CCOc1ncccc1C(=O)N(C)[C@H]1CN(C(C)=O)C[C@@H]1O 958905478 FEZMAPGYMJTRIL-KBPBESRZSA-N 317.345 -0.243 30 20 DBED C=CCN1CC[C@H](NC2CCC(N(C)C(=O)C(N)=O)CC2)C1=O 963854834 QWUBOODKQFIEQG-BPCQOVAHSA-N 322.409 -0.382 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC2(CN(C(=O)CC(C)(C)O)C2)C1 965472531 LEXKVUDIFYXGDH-NSHDSACASA-N 309.366 -0.253 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1NC(=O)c1cnnn1C 966399488 MCNDJBZQLFHLNP-PWSUYJOCSA-N 301.350 -0.195 30 20 DBED C=C1CC(C)(C(=O)N2C[C@H](C)[C@@H](NC(=O)Cn3ncnn3)C2)C1 966802104 UUSWCZQVJXUERN-RYUDHWBXSA-N 318.381 -0.008 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)OC)C[C@@H]2O)cn1 969351072 CVGXBEDKJIRSFL-HONMWMINSA-N 317.345 -0.601 30 20 DBED C=CCN1CC[C@@H](N(C)[C@@H]2CCN(C(=O)c3cnn[nH]3)C2)C1=O 971850257 HJRJCLICCQEYLJ-DGCLKSJQSA-N 318.381 -0.262 30 20 DBED CC#CCN1C[C@H]2CC[C@H]1CN2C(=O)CN1CC(=O)N(C)C1=O 972009653 DNOIKNJPWIERRB-QWHCGFSZSA-N 318.377 -0.421 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@]2(CN(Cc3nncn3C)CCO2)C1 972297977 OYOMDUZPANLSMP-SWLSCSKDSA-N 318.381 -0.222 30 20 DBED N#CCN1CCO[C@]2(CCN(C(=O)c3cc(C(N)=O)co3)C2)C1 972548995 LNZHXEGKLTUHRV-OAHLLOKOSA-N 318.333 -0.181 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3COCCO3)C2)c1 973899128 ZZGVXSFRIXGJLR-LOWVWBTDSA-N 318.333 -0.321 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3CCNC3=O)C2)c1 973994529 IHUMUQPMUIEUMD-AXFHLTTASA-N 315.333 -0.601 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)c3cnn(C)c3N)C[C@H]21 974976911 YXETZABEOFICDM-CKYFFXLPSA-N 316.365 -0.165 30 20 DBED Cc1nc[nH]c1CC(=O)N[C@H]1[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]21 976928571 WUCQLNWGMRLNQQ-HJUHTLPRSA-N 301.350 -0.007 30 20 DBED N#CCN1C[C@@H]2C(CNC(=O)[C@@H]3CCc4nnnn4CC3)[C@H]2C1 978743302 QMRJILOUQDSKGG-RAIGVLPGSA-N 315.381 -0.557 30 20 DBED C#CCN1C[C@H]2C[C@H](NC(=O)Cn3cnnc3O)CC[C@H]2C1 979619403 QHWWJXKZVMZTQI-YNEHKIRRSA-N 303.366 -0.166 30 20 DBED C=CCn1cc(C(=O)N2CCCN([C@H](C)C(=O)NC)CC2)nn1 982117599 CHTADYVTENJWOU-GFCCVEGCSA-N 320.397 -0.254 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H](N(C)C(=O)CN2CCOCC2)C1 984584704 JDYALXVVACLOAA-KBPBESRZSA-N 322.409 -0.072 30 20 DBED C=CCN[C@@H]1C[C@@H](C)N(C(=O)Cn2ccc(=O)n(C)c2=O)C1 988926083 FFGPCVTWCMLBRN-VXGBXAGGSA-N 306.366 -0.688 30 20 DBED CC(=O)N1CCC(C(=O)NC2CN(C(=O)[C@@H](C)C#N)C2)CC1 991348081 MXKZIBOENBLHGD-JTQLQIEISA-N 306.366 -0.268 30 20 DBED COCCn1cc(C(=O)NC2CN(C(=O)[C@H](C)C#N)C2)c(C)n1 991504900 BMIGIWJYIMJBHJ-SNVBAGLBSA-N 319.365 -0.062 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CN(C(=O)c2nnn(C)n2)C1 992037673 IEGNLZHPOJNMKH-QWRGUYRKSA-N 320.353 -0.868 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](C)[C@H](CNC(=O)c2cc(=O)n(C)o2)C1 993942879 OAMQVKYIIQXAOP-HBNTYKKESA-N 320.349 -0.038 30 20 DBED CO[C@H]1C[C@H](C(=O)N2CCC(NCC#N)CC2)N(C(C)=O)C1 996839672 BNNJTMUJJIIXBA-UONOGXRCSA-N 308.382 -0.274 30 20 DBED C=CCn1cc(C(=O)N2CC(NC(=O)Cc3cnc[nH]3)C2)nn1 1000576787 FDNYKYVFQAKQCE-UHFFFAOYSA-N 315.337 -0.630 30 20 DBED N#Cc1ccc(C(=O)N2CC(CNC(=O)C3=COCCO3)C2)[nH]1 1000785328 MXLXIKXJIUFPSF-UHFFFAOYSA-N 316.317 -0.037 30 20 DBED CC(=O)N1CCOC[C@@H]1C(=O)NCC1CCN(CC#N)CC1 1002138313 LERKFVAIAAPLHV-CQSZACIVSA-N 308.382 -0.415 30 20 DBED C[C@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1NC(=O)Cn1ncnn1 1004886692 XCYJFIYTPWEJHU-AAEUAGOBSA-N 316.365 -0.560 30 20 DBED C[C@H](NC(=O)c1cc(=O)n(C)o1)C1CN(C(=O)C#CC2CC2)C1 1005976996 DLVRYRGNIBSQSI-JTQLQIEISA-N 317.345 -0.032 30 20 DBED C=CCn1cc(C(=O)N2CCN(C(=O)c3cc[nH]n3)CC2)nn1 1010419072 QYBVRHBAPQVAAL-UHFFFAOYSA-N 315.337 -0.215 30 20 DBED C[C@H]1[C@H](NC(=O)CN2CCOCC2)CCN1C(=O)C#CC1CC1 1011739614 RPQNGUODIZONCX-DZGCQCFKSA-N 319.405 -0.162 30 20 DBED N#Cc1c[nH]c(C(=O)N2C[C@H]3C(NC(=O)c4cnon4)[C@@H]3C2)c1 1013641160 ZWMBVPXSMJLTFS-RKDXNWHRSA-N 312.289 -0.230 30 20 DBED C=CCCn1cc(C(=O)N[C@@H]2CCN([C@@H](C)C(=O)NC)C2)nn1 1015821632 YCLKHFBLDYLPPW-NWDGAFQWSA-N 320.397 -0.207 30 20 DBED C=CCN1CC[C@@H](N[C@H]2C[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)C1=O 1020597576 YKXDFWIRPGMFOK-NJMOYASZSA-N 320.393 -0.869 30 20 DBED C#Cc1ccc(C(=O)N2C[C@@H]3CC[C@@H](NCC(N)=O)[C@H]3C2)nc1 1026402089 GZOFUVIPHUTXEW-MELADBBJSA-N 312.373 -0.012 30 20 DBED C#CCCN1[C@H]2CC[C@H]1CN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)C2 1029471604 ISSBWFCQVXBBCZ-XDQVBPFNSA-N 305.378 -0.282 30 20 DBED C#CCN1[C@H]2CC[C@H]1CN(C(=O)c1cnn3c(=O)cc[nH]c13)C2 1029506680 VBGQBRFFGKKIKC-RYUDHWBXSA-N 311.345 -0.055 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1CCCN([C@H](C)C(=O)NC)C1 1030031484 QXUWOULZFDMJDN-ILXRZTDVSA-N 320.437 -0.201 30 20 DBED C=C(C)CCN1CC[C@H](N(C)C(=O)Cn2cnc(C(N)=O)n2)C1 1033097055 UQHRSRHZBSNUKM-LBPRGKRZSA-N 320.397 -0.124 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCCCN([C@H](C)C(N)=O)C2)nn1 1034433398 WHTFJQPPELJJSZ-VXGBXAGGSA-N 320.397 -0.078 30 20 DBED C#CCN1CCO[C@H](CNC(=O)c2cnc3c(c2)nnn3C)C1 1035446504 LMGDNUMJAFGMQV-GFCCVEGCSA-N 314.349 -0.573 30 20 DBED CC#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CN1CCOCC1=O 1039385700 IDKMUNLUHRHLDF-CABCVRRESA-N 319.405 -0.066 30 20 DBED C#CCCCC(=O)N1CC[C@@](O)(CNC(=O)c2cncn2C)C1 1040234660 JBPILDHHRWHVAL-MRXNPFEDSA-N 318.377 -0.083 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)c2cncn2C)C1 1040767036 VWDANXPURKSEGN-HZMBPMFUSA-N 305.338 -0.727 30 20 DBED N#Cc1ccc(N2C[C@@H]3CCN(C(=O)c4cnn[nH]4)[C@@H]3C2)nn1 1040883806 LHHGJWSOIGJLGM-JOYOIKCWSA-N 310.321 -0.183 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)CCn2ccnn2)C1 1041956445 MAJKLTZUUDEESC-UHFFFAOYSA-N 307.354 -0.676 30 20 DBED N#Cc1cncc(N2C[C@H](O)[C@H](NC(=O)c3cocn3)C2)n1 1043874438 LHUMURHGSPMAKB-KOLCDFICSA-N 300.278 -0.684 30 20 DBED CC[C@@H]1[C@@H](C(=O)N2CC(O)(CNC(=O)[C@@H](C)C#N)C2)CCN1C 1045559677 NWVSNAYTXAJTEY-RWMBFGLXSA-N 322.409 -0.434 30 20 DBED C=CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)N2C(=O)CCC2=O)C1 1047400809 KOPYEWMFYCFXIM-AGIUHOORSA-N 323.393 -0.397 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(=O)n(C)c2)C1 1047441195 IFTLTDPVTWVOSC-KBPBESRZSA-N 303.362 -0.474 30 20 DBED C=C(C)CCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC(=O)N2)C1 1048551438 HCKOWKSVOPHUDP-AGIUHOORSA-N 323.393 -0.349 30 20 DBED C=CCC(C)(C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CC(N)=O)C1 1048608715 OCZIJCPWAAFDFK-QWRGUYRKSA-N 311.382 -0.506 30 20 DBED CN(C(=O)C#CC1CC1)[C@H]1CN(C(=O)c2ccn(C)n2)C[C@@H]1O 1048825109 TVCSAHMVPIRTHI-KBPBESRZSA-N 316.361 -0.523 30 20 DBED COCC(=O)N1CCC[C@H](N(CCO)c2cnc(C#N)cn2)C1 1049132228 KZCBVDCBFUQIIK-ZDUSSCGKSA-N 319.365 -0.216 30 20 DBED C[C@@H]1[C@@H](NC(=O)c2ncn(C)n2)CCN1c1cnc(C#N)cn1 1050240404 MGUXGUUXNVFNEN-KOLCDFICSA-N 312.337 -0.126 30 20 DBED CN1C[C@@H](C(=O)NC[C@H]2CCC3(CN(CC#N)C3)O2)CCC1=O 1053701162 NPSIDWDZVIYBAR-QWHCGFSZSA-N 320.393 -0.272 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)c3ccc(C(N)=O)o3)CO2)C1 1053866169 UQPRJMZZWZHYEL-SNVBAGLBSA-N 303.318 -0.415 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)Cn3ccccc3=O)CO2)C1 1054004604 RPJGUJUNUFXAOY-CYBMUJFWSA-N 301.346 -0.559 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]2[C@H]1CCCN2C(=O)CNC(N)=O 1056221030 PCTIBLSRGQXMBW-GMTAPVOTSA-N 307.354 -0.594 30 20 DBED C=CCn1cc(C(=O)NCCN(CCO)C(=O)C2CCC2)nn1 1056765042 UOYGICDWGULSJM-UHFFFAOYSA-N 321.381 -0.185 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](N(C)c2ccc3nnnn3n2)C1 1056871405 KFOMOGJUEIRQKY-ZJUUUORDSA-N 300.326 -0.284 30 20 DBED C=CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)[C@H](C)COC 1057921484 ITDRTZSRQIEYGM-OLZOCXBDSA-N 316.398 -0.203 30 20 DBED Cc1nonc1C(=O)N(CCO)CCNC(=O)C#CC(C)C 1058003668 VTXYZVRFCPMEJX-UHFFFAOYSA-N 308.338 -0.412 30 20 DBED CC[C@H](F)C(=O)N(CCO)CCNC(=O)CSCC#N 1058380806 ONMVXIHOIJMXLZ-JTQLQIEISA-N 305.375 -0.072 30 20 DBED C#CCO[C@H](C)C(=O)NCCN(CCO)C(=O)[C@H](F)CC 1058386513 LEWLWLPFLDBIAA-VXGBXAGGSA-N 302.346 -0.290 30 20 DBED CN1C[C@H](C(=O)N[C@H]2CCN(c3ccc(C#N)nn3)C2)NC1=O 1058504083 FZKQAZMATXPMFK-WDEREUQCSA-N 315.337 -0.933 30 20 DBED C=CC(C)(C)C(=O)NCCN(CCO)C(=O)Cc1nc[nH]n1 1058891582 MOHWDWRXGQZAEK-UHFFFAOYSA-N 309.370 -0.504 30 20 DBED C=CCCC(=O)NC[C@H]1COCCN1C(=O)Cn1cnnc1O 1061407292 OXQVHQJXGBILTC-NSHDSACASA-N 323.353 -0.707 30 20 DBED C=CCCC(=O)NC[C@H]1COCCN1C(=O)COCCOC 1061409025 ZCQDAMVPWALCHS-ZDUSSCGKSA-N 314.382 -0.041 30 20 DBED C#CCOCCC(=O)N1CCOC[C@H]1CNC(=O)COCC=C 1061424323 SFIAJIRAMQHMJX-CQSZACIVSA-N 324.377 -0.428 30 20 DBED N#Cc1cnccc1N1C[C@@H]2C[C@H]1CN2C(=O)CCn1cnnn1 1062521173 NAFXTJIQQKVSLI-STQMWFEESA-N 324.348 -0.180 30 20 DBED C=CCOCC(=O)NCC1(NC(=O)C[C@H]2CCNC2=O)CCC1 1062703745 MYRAIYYQKKSSQU-GFCCVEGCSA-N 323.393 -0.130 30 20 DBED N#Cc1nccc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)c2cc[n+]([O-])cc2)n1 1064217502 YQTQYAJJFLOBMO-XUJVJEKNSA-N 322.328 -0.011 30 20 DBED N#CCSCC(=O)NC[C@@H]1CN(C(=O)c2cn[nH]c2)CCO1 1064895016 BWUIRXLZMALKQS-LLVKDONJSA-N 323.378 -0.376 30 20 DBED C=CCOCC(=O)N1CCO[C@H](CNC(=O)c2ccn(C)n2)C1 1064971509 CATWRYILBDIBFM-GFCCVEGCSA-N 322.365 -0.420 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCO[C@H](CNC(=O)c2cc[nH]n2)C1 1065095277 APQIRKBPKMJTMW-IAQYHMDHSA-N 322.365 -0.306 30 20 DBED Cc1nccc(C(=O)N2CCO[C@@H](CNC(=O)[C@@H](C)C#N)C2)n1 1065176066 KWDMTICOKDJEFP-JQWIXIFHSA-N 317.349 -0.098 30 20 DBED Cc1nsc(NC[C@H]2CN(C(=O)CC(N)=O)CCO2)c1C#N 1066607450 PDNRMDAGZOIBMA-VIFPVBQESA-N 323.378 -0.162 30 20 DBED N#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)C2CCOCC2)C1 1069888221 NIYMHGCBBRBPTJ-OLZOCXBDSA-N 304.354 -0.430 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)C2=CCOCC2)C1 1069914007 NDKPUVCVPBHSNR-KGLIPLIRSA-N 301.350 -0.401 30 20 DBED C=CCOCC(=O)N1CCC[C@@H](NC(=O)[C@H]2CCCC(=O)N2)C1 1070552071 BRORUOWFNCFLGL-CHWSQXEVSA-N 323.393 -0.035 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC[C@@H](NC(=O)CC(=O)NCC)C1 1070727073 ORHZWZZMSBHYEE-QWHCGFSZSA-N 323.393 -0.342 30 20 DBED C=CCCC(=O)N[C@@H]1CCCN(C(=O)CS(=O)(=O)NC)C1 1070762458 DCTZATJPMZWRBN-LLVKDONJSA-N 317.411 -0.391 30 20 DBED C#CCCN1C[C@H]2C[C@H]3CN(C(=O)[C@@H]4COCCO4)C[C@@]3(C1)O2 1070767101 QAGGSQXFUBYEIO-QSJFSLAZSA-N 320.389 -0.273 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2C[C@@H]3CN(CC(=O)N(C)C)C[C@]2(C1)O3 1070772283 GWRXRDQINMWHBS-OQMKEHIESA-N 320.393 -0.464 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)[C@H]2CC(=O)N(C)C2)CC1 1070966657 HKBIEROPFHQKRM-ZDUSSCGKSA-N 322.409 -0.699 30 20 DBED C=CCN[C@@H]1CCO[C@H]1C1CCN(C(=O)Cn2cnnn2)CC1 1071036304 HOOOFZMVOFQLJC-HIFRSBDPSA-N 320.397 -0.155 30 20 DBED CC(C)C#CC(=O)N1CCC(C)(NC(=O)CNC(N)=O)CC1 1073008357 WYXQQQLPNFCKGC-UHFFFAOYSA-N 308.382 -0.189 30 20 DBED C=CCOCCCC(=O)NC1(C)CCN(C(=O)C(N)=O)CC1 1073227924 FKRADXSMCAWZMY-UHFFFAOYSA-N 311.382 -0.048 30 20 DBED C=CCOCCCC(=O)N1CC[C@@H](NC(=O)C(N)=O)[C@H](C)C1 1074176756 ZTESDMWAJNPVNL-VXGBXAGGSA-N 311.382 -0.192 30 20 DBED C#CCCCC(=O)N1CCC(O)(CNC(=O)c2cnn[nH]2)CC1 1074566246 FGJZPZFJMJKITQ-UHFFFAOYSA-N 319.365 -0.309 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(O)(CNC(=O)c2cocn2)CC1 1074704521 CIJFUYNAYJFALA-JTQLQIEISA-N 306.322 -0.082 30 20 DBED C=CCOCC(=O)NCC[C@H](C)NC(=O)c1c[nH]c(C(N)=O)c1 1075920118 QMPJTAAFTDMKBV-JTQLQIEISA-N 322.365 -0.059 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)[C@@H]1[C@H]2COC[C@H]21 1076220115 PSCPTNYGMIJSJB-UUIJZJDISA-N 321.377 -0.971 30 20 DBED C#CCO[C@H](C)C(=O)NCC[C@H](C)NC(=O)c1c[nH]c(=O)cn1 1076509397 WMCPYXIOUOWINB-WDEREUQCSA-N 320.349 -0.567 30 20 DBED C=CCN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)CN1CC(=O)NC1=O)C2 1079063984 KMZDCXYQCCRYQY-IJLUTSLNSA-N 306.366 -0.307 30 20 DBED C=CCn1cccc1C(=O)N1CC(N(CC)C(=O)C(N)=O)C1 1080408299 IUDYAWHPZANUPO-UHFFFAOYSA-N 304.350 -0.168 30 20 DBED C[C@H](C#N)C(=O)NC1(CO)CCN(C(=O)[C@@H]2CCCN2C)CC1 1080980634 ZGJBHMWGYUHAGL-OLZOCXBDSA-N 322.409 -0.290 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@@H]2CN3CC4CC3(CO2)C4)C[C@H]1C 1082653706 ZINJGYMAVQSOEH-QVCPJDEESA-N 303.406 -0.081 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)c2ccc3c(c2)NC(=O)C3)C1 1083485609 IBQBCPOEUXPHFU-CABCVRRESA-N 313.357 -0.021 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)c2nc(OC)cc(OC)n2)C1 1083571781 LRRNEKXAPCHSPP-MNOVXSKESA-N 320.349 -0.708 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)C1 1083919003 CJZNDLNPLNBZJX-MNOVXSKESA-N 324.381 -0.946 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2c(C(F)(F)F)cnn2C)C1 1084013038 KOMLAVIYIIPPIK-ZJUUUORDSA-N 316.283 -0.153 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCCN2CC(F)(F)F)C1 1084090081 IZNMXASALNJRTB-UTUOFQBUSA-N 319.327 -0.192 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)CN3CCCNC3=O)C[C@@H]2C1 1088026255 ZMHOCTREPBLJNU-KGLIPLIRSA-N 304.394 -0.185 30 20 DBED C[C@@H](C[C@H](C)Nc1cncc(C#N)n1)NC(=O)Cn1ncnn1 1089399482 DBVQGPOHUBPRHT-UWVGGRQHSA-N 315.341 -0.270 30 20 DBED C=C1CC(C)(C(=O)N[C@H]2CCN(CC(=O)N(C)C)C[C@H]2O)C1 1090553622 PDNPSNCKTNYTAX-QWHCGFSZSA-N 309.410 -0.018 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2cncc(OC)n2)[C@@H](O)C1 1090625627 VSMUIBUFARQZGL-YPMHNXCESA-N 304.350 -0.327 30 20 DBED N#CCN1CC[C@H](NC(=O)c2cnn3c2CCCC3)[C@H](O)C1 1090699393 CCXBYFZOYYVMCY-GXTWGEPZSA-N 303.366 -0.092 30 20 DBED C=CCCN1CC[C@H](NC(=O)c2cn(C)c(=O)n2C)[C@H](O)C1 1090836513 NSQXAXCYZDELJB-WCQYABFASA-N 308.382 -0.535 30 20 DBED COC(=O)NCC(=O)N1C[C@@H](Nc2cncc(C#N)n2)[C@H](C)C1 1090961479 FQFICXKDSXQYSV-MWLCHTKSSA-N 318.337 -0.037 30 20 DBED CCO[C@H](CC)C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1091078286 JXZVIHUHLJDBLK-FRRDWIJNSA-N 319.365 -0.171 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1091118308 HKXOVTQVIKORSI-RTXFEEFZSA-N 317.349 -0.395 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(c2nc(CC)ns2)C[C@@H]1O 1091152976 NLWKLCOAHCCPRY-MXWKQRLJSA-N 324.406 -0.196 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)[C@H]3CCNC3=O)c3nccn32)C1 1092385774 XWKBBFYHWBZJBW-RYUDHWBXSA-N 313.361 -0.776 30 20 DBED COC[C@H](OC)C(=O)NC1[C@@H]2CN(c3ccnc(C#N)n3)C[C@@H]12 1093345563 PQBGXELHLXVRNQ-MXWKQRLJSA-N 317.349 -0.440 30 20 DBED CC(C)(C)CC(=O)NCC(=O)NCCN=c1cc[nH]c(C#N)n1 1093649359 YLLKRWYHORDXAQ-UHFFFAOYSA-N 318.381 -0.149 30 20 DBED CO[C@@H](C(=O)NCCNc1cncc(C#N)n1)[C@@H]1CCOC1 1094013080 XWBLNFZHNDLUEA-ZWNOBZJWSA-N 305.338 -0.072 30 20 DBED N#Cc1cnc(NCCCNC(=O)C[C@@H]2CCC(=O)N2)cn1 1094494838 YLJBDEQRINGLAZ-JTQLQIEISA-N 302.338 -0.065 30 20 DBED C#CCN1CCN(C(=O)Cc2cnoc2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094654892 XGBMDYRMLLTKKX-QWHCGFSZSA-N 323.374 -0.840 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)c3conc3CC)CC2=O)C1 1094784201 DAVNFJNBLVLKJU-LLVKDONJSA-N 316.361 -0.115 30 20 DBED Cc1conc1C(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1 1094802535 VQGAIUCTDYTNBK-SNVBAGLBSA-N 303.322 -0.479 30 20 DBED CN(CCCNC(=O)[C@@H]1CCC(=O)N1C)c1nccnc1C#N 1095696581 GOMZHSDKLUYZHE-LBPRGKRZSA-N 316.365 -0.088 30 20 DBED Cc1cc(N(C)CCCNC(=O)[C@@H]2CNC(=O)N2)c(C#N)cn1 1095715166 IOQFYAIEPSXHMW-LBPRGKRZSA-N 316.365 -0.114 30 20 DBED CC1(C)C(=O)NC(=O)N1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC#N 1096286213 XEBRXFSDNNWRKD-VWYCJHECSA-N 319.365 -0.438 30 20 DBED N#Cc1nc(=N[C@H](CNC(=O)CCNC(N)=O)C2CC2)cc[nH]1 1096668678 JXTZLRHFDXAPLZ-SNVBAGLBSA-N 317.353 -0.865 30 20 DBED N#Cc1cnc(N2C[C@@H]3CC[C@H](C2)N3C(=O)CNC(N)=O)cn1 1096882138 JXNSUXRRJJHZRP-PHIMTYICSA-N 315.337 -0.804 30 20 DBED N#Cc1nccnc1N1CCC[C@@H](CNC(=O)CNC(N)=O)C1 1097286330 KENIJGKZZSTROX-JTQLQIEISA-N 317.353 -0.651 30 20 DBED C[C@H](CNC(=O)C[C@H]1CC(=O)NC1=O)Nc1ccc(C#N)nc1 1097944365 WULBKQSCZVYCNG-ZJUUUORDSA-N 315.333 -0.077 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(Cc2cn(C)nc2C)C[C@H]1O 1099740393 CITKSDHUSLZIMX-LSDHHAIUSA-N 322.409 -0.017 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(Cc2cc(C)n(C)n2)C[C@H]1O 1099741180 OZJKAZLRNBFBPY-HUUCEWRRSA-N 322.409 -0.017 30 20 DBED CCn1cc(CN2CC[C@@H](NC(=O)C#CC3CC3)[C@@H](O)C2)nn1 1099826304 JGWFZFSDWGYNAC-CABCVRRESA-N 317.393 -0.237 30 20 DBED CC(C)(C)C(=O)NCCC(=O)N[C@@H]1CCN(CC#N)C[C@H]1O 1099942394 RBRMSEHVAOWZRX-VXGBXAGGSA-N 310.398 -0.386 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)Cc2cnoc2)[C@H](O)C1 1099962736 SUXKRUYMYPRBJF-QWHCGFSZSA-N 322.365 -0.929 30 20 DBED Cc1nsc(N(C)CCNC(=O)[C@H](C)NC(N)=O)c1C#N 1100025201 IEORHPWHIHFROO-QMMMGPOBSA-N 310.383 -0.068 30 20 DBED N#CCNC(=O)CN1CC[C@H](NC(=O)Cc2ccco2)[C@H](O)C1 1100042319 XQGSMKUIUCYJJW-QWHCGFSZSA-N 320.349 -0.987 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)c2c[nH]cc2C)[C@@H](O)C1 1100108114 QPTIWYOVJKPQOU-KGLIPLIRSA-N 318.377 -0.762 30 20 DBED CN(CC(=O)NCCN(C)c1nccnc1C#N)C(=O)C1CC1 1100375115 SMBCZLDBIADSBL-UHFFFAOYSA-N 316.365 -0.231 30 20 DBED CCC(=O)NCC(=O)NCCN(CC)c1ccc(C#N)nn1 1100469614 YGDGOCOXQHDCMJ-UHFFFAOYSA-N 304.354 -0.183 30 20 DBED CCN(CCNC(=O)[C@@H]1CCCNC1=O)c1ccnc(C#N)n1 1100640105 JHRYRMYEBDVCNL-LLVKDONJSA-N 316.365 -0.183 30 20 DBED C=CCN1C[C@@H]2CN(C(=O)[C@H](C)NS(C)(=O)=O)C[C@]2(C)C1 1101375149 DNFMCDGEBGBDKZ-SCRDCRAPSA-N 315.439 -0.110 30 20 DBED COCC#CCN1CC2(C[C@H](NC(=O)COC)c3nccn32)C1 1101602343 CYPGZRGJWKBYHM-ZDUSSCGKSA-N 318.377 -0.249 30 20 DBED CNC(=O)C1(C(=O)N(C)CCNc2cnc(C#N)cn2)CC1 1101682668 SLPKNWMBHYDIEY-UHFFFAOYSA-N 302.338 -0.255 30 20 DBED CC[C@H](CNC(=O)CS(C)(=O)=O)Nc1cncc(C#N)n1 1102997370 JKQMXWGTDCXFHF-SECBINFHSA-N 311.367 -0.300 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1CCNC(=O)CN1CC(=O)NC1=O 1103544108 FCNRXJDUIPZXNA-GHMZBOCLSA-N 307.354 -0.864 30 20 DBED C=CCCCNCc1cn(C2CN(C(=O)CC(N)=O)C2)nn1 1105196997 BKMJXBGHRKKKDM-UHFFFAOYSA-N 306.370 -0.407 30 20 DBED C=CCNCc1cn(C2CN(C(=O)Cc3nnc(C)o3)C2)nn1 1105227511 MSALPQCHZCHSKU-UHFFFAOYSA-N 317.353 -0.129 30 20 DBED Cc1cc(CC(=O)NC[C@@H](O)CN=c2cc[nH]cc2C#N)no1 1105765518 AQJYSHZTOHHPHB-ZDUSSCGKSA-N 315.333 -0.197 30 20 DBED N#Cc1cnc(NC[C@@H](O)CNC(=O)c2cccc(O)n2)cn1 1105776901 YCGCLDWIWWSXPQ-SNVBAGLBSA-N 314.305 -0.348 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@H](O)CNc1nc(C)cc(C#N)n1 1105805505 BQOLNQXJGRCFTD-WFASDCNBSA-N 319.365 -0.127 30 20 DBED C#CCOCCC(=O)NC[C@H](O)CNc1cc(C)nc(OC)n1 1105967150 WBUSPLAEXCEPMP-GFCCVEGCSA-N 322.365 -0.277 30 20 DBED CC(C)(C(N)=O)C(=O)NC[C@H](O)CNc1ccc(C#N)cn1 1105997167 KDTWBLZRCAAISU-SNVBAGLBSA-N 305.338 -0.646 30 20 DBED C[C@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)C1CS(=O)(=O)C1 1106459272 QVQGAOVICCKQAD-SECBINFHSA-N 323.378 -0.879 30 20 DBED C=CCCNC[C@@H]1CN(C(=O)CNS(=O)(=O)NC)C[C@H]1C 1106480645 CKQGQUPRLUPLQB-VXGBXAGGSA-N 318.443 -0.700 30 20 DBED Cc1nn[nH]c1C(=O)N[C@H](C)CCN=c1cc[nH]c(C#N)n1 1106513450 YXFIIFHBGGJFEX-MRVPVSSYSA-N 300.326 -0.183 30 20 DBED CNC(=O)C1(C(=O)NC/C=C/CN=c2cc[nH]c(C#N)n2)CC1 1107252499 MIPVLFSVQFHKNN-NSCUHMNNSA-N 314.349 -0.619 30 20 DBED COC1(CC(=O)N[C@@H]2CC(=O)N(C3CN(CC#N)C3)C2)CCC1 1108541274 SKLGFVOJENRFAG-GFCCVEGCSA-N 320.393 -0.130 30 20 DBED COCC#CCN1CC(N2C[C@H](NC(=O)C3(C)CC3)CC2=O)C1 1108546118 ORDTYHRYIGSSDU-CYBMUJFWSA-N 319.405 -0.162 30 20 DBED C[C@@H](CNc1ccc(C#N)nc1)NC(=O)[C@@H]1CN(C)C(=O)N1 1108636329 ZBSNMYBJIZHZCT-CABZTGNLSA-N 302.338 -0.107 30 20 DBED C[C@@H](CNc1nccnc1C#N)NC(=O)[C@H]1CC(=O)N(C)C1 1108748460 SKEPYXGNRVAJHD-UWVGGRQHSA-N 302.338 -0.257 30 20 DBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cc[nH]n1 1108953388 NPZMQFSFZQHHGN-USWWRNFRSA-N 302.338 -0.615 30 20 DBED CN(CCCN=c1cc[nH]c(C#N)n1)C(=O)c1cnc(O)n1C 1109579028 ZEIOFRQRVZTMPX-UHFFFAOYSA-N 315.337 -0.217 30 20 DBED CN1CCO[C@H](C(=O)NCC2(Nc3nccnc3C#N)CC2)C1 1110090839 MGMKXONMQYSUBZ-LBPRGKRZSA-N 316.365 -0.260 30 20 DBED N#Cc1cnc(NC2(CNC(=O)[C@H]3CC[C@@H]3C(N)=O)CC2)cn1 1110300012 MJLXTKJAFKWLMI-QWRGUYRKSA-N 314.349 -0.080 30 20 DBED N#Cc1ccc(NC2(CNC(=O)[C@H]3CNC(=O)N3)CC2)nc1 1110324348 KJVDEGJTESSRPL-SNVBAGLBSA-N 300.322 -0.305 30 20 DBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1ccncn1 1111168160 GFUCQCBSXDWUDV-RTXFEEFZSA-N 314.349 -0.549 30 20 DBED CNC(=O)CC(=O)N[C@H]1CCN(c2cncc(C#N)n2)C[C@@H]1C 1112400169 JMJMKSLQEYXQDT-JQWIXIFHSA-N 316.365 -0.185 30 20 DBED Cc1nc(N2C[C@H](CNC(=O)CC(N)=O)[C@@H](O)C2)ccc1C#N 1112724602 BFMAVYFUSXXJCE-RYUDHWBXSA-N 317.349 -0.950 30 20 DBED C[C@H]1CCN(CC(=O)N2CCN(CC(=O)NCC#N)CC2)C1 1113346029 MSOKBVXTPXIZCK-ZDUSSCGKSA-N 307.398 -0.888 30 20 DBED C#Cc1ccc(C(=O)N2CCN(C[C@@H](O)COC)CC2)cn1 1113557743 MIGZLUWBUBRKOP-OAHLLOKOSA-N 303.362 -0.172 30 20 DBED CC(=O)N1CC(C(=O)NC[C@@H](C)N(C)c2cnc(C#N)cn2)C1 1113579199 IBTGEEKNZXSILX-SNVBAGLBSA-N 316.365 -0.233 30 20 DBED C[C@@H](CNC(=O)Cn1cncn1)N(C)c1ccc(C#N)nn1 1113609246 FUZFMVKVKVUMML-JTQLQIEISA-N 300.326 -0.419 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)N(C)c1ccc(C#N)nc1 1113870426 YUMSUAVFWMAQSN-CABZTGNLSA-N 302.338 -0.424 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@@H]2CN(CCCCCOC)C[C@@H]12 1114170858 YORYJMKQLQCYFF-ZIAGYGMSSA-N 321.421 -0.011 30 20 DBED C#CCOCCC(=O)NC1[C@@H]2CN([C@@H](C)c3nnnn3C)C[C@@H]12 1114268230 IDACWYPGCFAEDN-QJPTWQEYSA-N 318.381 -0.643 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(c2ncccn2)CC1(C)C 1114446398 NMNUVFZRUGEPHC-GFCCVEGCSA-N 315.377 -0.053 30 20 DBED CC#CCN1C[C@H]2C(NC(=O)CN(C)CC(=O)NC(C)C)[C@@H]2C1 1114520885 CTHZGWQVGSTPLW-ZIAGYGMSSA-N 320.437 -0.488 30 20 DBED Cc1nnc(COCC(=O)N[C@H]2[C@@H]3CN(CC#N)C[C@@H]32)s1 1114527416 WLCKTYAHRGQPEP-IWIIMEHWSA-N 307.379 -0.067 30 20 DBED Cc1nc(N2C[C@H]3C(CNC(=O)CC(N)=O)[C@@H]3C2)ccc1C#N 1114546947 MXLMHGBJXRGOHZ-STQMWFEESA-N 313.361 -0.065 30 20 DBED C[C@H]1C[C@@H](CNc2nccnc2C#N)CN1C(=O)CNC(N)=O 1114666800 IBIOWGMSMZAFLS-UWVGGRQHSA-N 317.353 -0.335 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)CN(C)CCC)[C@H]2C1 1115159174 FSVFFYIJJKTGJK-STQMWFEESA-N 306.410 -0.876 30 20 DBED CO[C@@H](C)C(=O)NCCOCCN(C)c1nccnc1C#N 1115183666 VWFVKUJZTNXVLS-NSHDSACASA-N 307.354 -0.048 30 20 DBED CCC(=O)NCC(=O)N(C)C[C@@H](C)N=c1cc[nH]c(C#N)n1 1115658011 ICXSMRRMHZCXOF-SNVBAGLBSA-N 304.354 -0.445 30 20 DBED C[C@@H](CN(C)C(=O)CCn1cnnn1)Nc1cnc(C#N)cn1 1115808469 FZOLJFITNODWNM-JTQLQIEISA-N 315.341 -0.316 30 20 DBED CCOC(=O)[C@H](C)NC(=O)CCN/C(O)=C1\N=CC=CC1=O 1116063085 ZZMWFQYGAOGHAW-XRNDOFNESA-N 309.322 -0.029 30 20 DBED N#Cc1ccc(CCNC(=O)C(=O)N2C[C@@H](CO)[C@@H](O)C2)cc1 1118529299 ZDDXPRIHYZYKBF-KBPBESRZSA-N 317.345 -0.971 30 20 DBED CCC(=O)NCC(=O)NC[C@H](CO)N=c1cc(C)[nH]cc1C#N 1121242066 PFRYBOQRVSRPIF-GFCCVEGCSA-N 319.365 -0.901 30 20 DBED Cc1nsc(N[C@H](CO)CNC(=O)c2cn(C)nn2)c1C#N 1121433029 SCINIQDRSIURRN-QMMMGPOBSA-N 321.366 -0.346 30 20 DBED C#CCN1CCN(c2nnc(Cc3nnc(C)o3)n2C)CC1 1121465494 RARXEFIJGGQPGA-UHFFFAOYSA-N 301.354 -0.147 30 20 DBED C=CCn1c([C@H](O)COC)nnc1N1CCNC(=O)[C@H]1CC 1121633475 OHQQUYPBSSBCDT-GHMZBOCLSA-N 309.370 -0.141 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)C[C@H]2CCC(=O)N2)nc1 1121771537 UVFFGYMIZBAZLG-NEPJUHHUSA-N 317.349 -0.489 30 20 DBED N#Cc1cccnc1N[C@H](CO)CNC(=O)CO[C@@H]1CCOC1 1122069249 IYANINZFYTXXPB-QWHCGFSZSA-N 320.349 -0.352 30 20 DBED COCC1(C(=O)NC[C@H](CO)Nc2nc(C)cc(C#N)n2)CC1 1122246621 SJSXKXPHHAXHCT-GFCCVEGCSA-N 319.365 -0.028 30 20 DBED Cc1n[nH]cc1C(=O)NC[C@@H](CO)N=c1cc[nH]cc1C#N 1122292135 FBDPFKBMVLRGGZ-NSHDSACASA-N 300.322 -0.391 30 20 DBED N#Cc1nccnc1NC[C@@H]1CC[C@@H](NC(=O)CNC(N)=O)C1 1123720950 ZOOOZCGYSKKDHN-NXEZZACHSA-N 317.353 -0.287 30 20 DBED CNC(=O)CC(=O)N[C@H]1CC[C@@H](CN=c2cc[nH]c(C#N)n2)C1 1123769664 JPQKOUMKCCRXAQ-MNOVXSKESA-N 316.365 -0.397 30 20 DBED CC(=O)N[C@@H](C)C(=O)N(C)C[C@H](O)CNc1ccc(C#N)nc1 1124060123 RXNYQQDKWDKAEM-IINYFYTJSA-N 319.365 -0.291 30 20 DBED Cc1cc(C(=O)N(C)C[C@@H](O)CN=c2cc[nH]c(C#N)n2)on1 1124174348 MMMNGBJTBUNTLU-JTQLQIEISA-N 316.321 -0.388 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C[C@H](O)CNc1nccc(OC)n1 1124518779 CXVNBGKKNWAXLP-NWDGAFQWSA-N 322.365 -0.245 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)COCCCC 1125078923 VWDHGEAIBQIWGZ-UHFFFAOYSA-N 314.386 -0.479 30 20 DBED Cc1ccc(C#N)c(N(C)C[C@@H](O)CN(C)C(=O)C(N)=O)n1 1125246957 DWKPDTICPVELGM-LLVKDONJSA-N 305.338 -0.998 30 20 DBED CC[C@@H](NC(C)=O)C(=O)N1C[C@@H]2C[C@@H]3CN(CC#N)C[C@]2(C1)O3 1131274234 SBROZUURUBUXDB-DSJMHWKBSA-N 320.393 -0.274 30 20 DBED N#CCNC(=O)CNCCNC(=O)[C@@H](C1CC1)N1CCCC1 1131786530 VXIXHEGCOPWGFG-CQSZACIVSA-N 307.398 -0.794 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)c1cnn(C)c1 1133672069 ULGPZDCZRUYCCY-NWDGAFQWSA-N 305.382 -0.344 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)CCCC(=O)NC 1134131281 TXOYIESRXYHFIS-STQMWFEESA-N 324.425 -0.475 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)C(=O)N1CCC[C@H](C)C1 1134878059 QGXCJISMEVRFMU-QWHCGFSZSA-N 322.409 -0.911 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)C(C)(C)CNC(C)=O)C1=O 1135172944 QAYWCCJUSYJLPT-CYBMUJFWSA-N 324.425 -0.359 30 20 DBED C#CCCN[C@H](C)C[C@H](C)NC(=O)c1cn(C)c(=O)nc1O 1146314561 NDNUMOMWSLYSAR-MNOVXSKESA-N 306.366 -0.004 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)[C@@](C)(NC(C)=O)C1CC1 1147458134 KLIUZPLJJGSVBE-ZBEGNZNMSA-N 324.425 -0.312 30 20 DBED COCC#CCN1CCCO[C@H](CNC(=O)c2cnn(C)c2)C1 1149128633 BTZJQVGWLDHWMB-OAHLLOKOSA-N 320.393 -0.109 30 20 DBED COCC#CCN1CCCO[C@@H](CNC(=O)Cc2ncc[nH]2)C1 1150507608 ICXSBELHGXORFF-AWEZNQCLSA-N 320.393 -0.191 30 20 DBED C#CCN1CCC(CCOC)(NC(=O)[C@H]2CNC(=O)N2)CC1 1151281357 KAKTVOMKKFQCON-GFCCVEGCSA-N 308.382 -0.712 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1noc2c1COCC2 1151693139 DARMDZIWCIYCFO-UHFFFAOYSA-N 308.338 -0.631 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CCCCN1CC 1152458619 RRZIALYABGTWGT-KBPBESRZSA-N 308.426 -0.296 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)CCc1cncnc1 1162570767 JGYGIDOOCNSPGM-ZDUSSCGKSA-N 317.393 -0.357 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@@H](OC)[C@H]1CCOC1 1163359561 VQCIRVYCWIRTCF-JSGCOSHPSA-N 313.398 -0.564 30 20 DBED CC#CCNCC1(CCNC(=O)CN2CCOCC2=O)CC1 1165523408 PANMUOKQGVQLDE-UHFFFAOYSA-N 307.394 -0.255 30 20 DBED C=CCC(C)(C)C(=O)NCCCNCC(=O)N1CCNC(=O)C1 1167363332 SIHVNICGHPMFCA-UHFFFAOYSA-N 324.425 -0.357 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)NCCC1(CNCC(N)=O)CC1 1167391378 GFFBAQQAISWPQB-CYBMUJFWSA-N 324.425 -0.181 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](NCc2nc(C)no2)[C@@H]1C 1178508765 SVNREUYUIVGPMS-JQWIXIFHSA-N 319.365 -0.403 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2cccc(O)n2)C1 1181859776 MGBRIBHFGOZVDK-NWDGAFQWSA-N 316.361 -0.271 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1185012177 AFMUYBGVVREUPR-POQQGIQPSA-N 307.394 -0.240 30 20 DBED C#CCNC[C@H]1CN(C(=O)CNC(=O)CC)CC12CCOCC2 1186310584 NCQQKZNHLAGJSJ-AWEZNQCLSA-N 321.421 -0.009 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)c2cc(C)on2)C1 1190861053 UFDBQMZLGHDIAO-CYZMBNFOSA-N 322.365 -0.551 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@@H]1CCN(C(=O)c2cnco2)C1 1191617305 MGBHLHUPDICPMW-NWDGAFQWSA-N 304.350 -0.041 30 20 DBED COc1cc(CN2C[C@@H](O)[C@H](NC(=O)[C@@H](C)C#N)C2)ccn1 1191853225 CUBFASBMRDXMKU-CYZMBNFOSA-N 304.350 -0.089 30 20 DBED Cc1nc([C@@H](C)N2C[C@@H](O)[C@H](NC(=O)C#CC3CC3)C2)n[nH]1 1192820877 CXTJXUWIUFWASD-OASPWFOLSA-N 303.366 -0.251 30 20 DBED CNC(=O)C1(C(=O)N2CC[C@H](N(C)CC#CCOC)C2)CC1 1192844782 BBYYFWSIAYTVCZ-ZDUSSCGKSA-N 307.394 -0.305 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@H](OCC)C2CCOCC2)C1 1195030184 LXNZYLMZQFPWFH-RBSFLKMASA-N 310.394 -0.387 30 20 DBED CCN(CCC#N)C(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2C[C@@H]2C)C1 1195333850 PXVSVDKXDNRZAR-IGQOVBAYSA-N 322.409 -0.434 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)Cc2nnc(C)o2)CC1 1195710618 XZSSDFNXECWZRY-UHFFFAOYSA-N 321.381 -0.243 30 20 DBED N#CCNC(=O)CNC[C@H]1CN(C(=O)C2=CCCC2)CCCO1 1200270256 WMJNDPQRGHFAAA-AWEZNQCLSA-N 320.393 -0.056 30 20 DBED CC(C)N1C[C@H](C(=O)N2CCCO[C@H](CNCC#N)C2)CC1=O 1200634461 DUNXZVYTWUAKAL-ZIAGYGMSSA-N 322.409 -0.026 30 20 DBED N#CCNC[C@@H]1CN(C(=O)c2ccc3nnnn3c2)CCCO1 1200955356 IEFAQZMCSNXUGS-GFCCVEGCSA-N 315.337 -0.531 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@H]1CCCN(C(=O)C2(C(N)=O)CC2)C1 1209346126 QESJOISBTZBUCT-NEPJUHHUSA-N 322.409 -0.477 30 20 DBED C=CCOCCN1C[C@@H](NC(=O)CCn2cncn2)[C@H](OC)C1 1211871454 HDDQATPCEAVTMZ-ZIAGYGMSSA-N 323.397 -0.314 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)C2(CC)CC2)[C@H](OC)C1 1213387450 XDGJLDBKNKPJHA-CHWSQXEVSA-N 307.394 -0.259 30 20 DBED CCOCCn1cc(C(=O)N[C@@H]2CN(CC#N)C[C@H]2OC)cn1 1213625394 ZAKAYWVOCAXTGB-ZIAGYGMSSA-N 321.381 -0.128 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H](OC)C2CCC2)C[C@H]1C 1215249695 SRVJVYCKGXVHCZ-XPKDYRNWSA-N 321.421 -0.013 30 20 DBED COCC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)C1CCOCC1 1217172379 LUQUDGQRGZWIHP-JKSUJKDBSA-N 322.405 -0.026 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)c2cc(C)n(C)n2)C1 1219272572 OCIMPDODFHVFOT-KGLIPLIRSA-N 306.366 -0.847 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(CC(=O)N[C@@H](C)C(C)C)C[C@@H]1O 1219581093 GKETUFMLEFBXOC-ZNMIVQPWSA-N 323.437 -0.032 30 20 DBED CC[C@@H](C)NC(=O)CN1C[C@H](O)[C@H](NC(=O)C#CC(C)C)C1 1219581138 HXMQWSFLCWUCKU-MCIONIFRSA-N 309.410 -0.278 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2cnns2)C[C@@H]1O 1219605105 JEEBUAQORGNIDR-WCQGTBRESA-N 310.379 -0.762 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)Cc2cnccc2C)C1 1219821797 ZDZMOBZZELLTIK-CVEARBPZSA-N 317.389 -0.256 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)COc2ccccc2)C1 1220845785 CSUFENBQBKMGPY-CVEARBPZSA-N 318.373 -0.124 30 20 DBED Cc1ncc(C(=O)NCC2CCN(CC(=O)NCC#N)CC2)[nH]1 1222630413 AIJVCXYMOUXBGH-UHFFFAOYSA-N 318.381 -0.200 30 20 DBED COCC#CCN[C@H]1CCN(C(=O)CCCn2cncn2)C1 1317067693 YQXVSWBSVMJXKT-AWEZNQCLSA-N 305.382 -0.101 30 20 DBED Cc1nn(CCO)c(C)c1C=NNc1ccc(C(N)=O)nn1 1319136926 FTQMKEOKHNFMTC-UHFFFAOYSA-N 303.326 -0.173 30 20 DBED CN(CCNC(=O)C(=O)N1CCO[C@@H](C#N)C1)CC(F)(F)F 1322263606 ZENSWCDWIMPYRD-VIFPVBQESA-N 322.287 -0.652 30 20 DBED CCc1cc(CNC(=O)C(=O)NC2CCN(CC#N)CC2)on1 1322561201 AKZVJHCOIHVHKJ-UHFFFAOYSA-N 319.365 -0.043 30 20 DBED C[C@H]1CN(C)C(=O)CN1C(=O)C(=O)NCC#Cc1ccccc1 1322988163 KNVJVHHYSLOVGT-ZDUSSCGKSA-N 313.357 -0.157 30 20 DBED CN(C(=O)C(=O)Nc1cnn(CC#N)c1)[C@@H]1CC(C)(C)OC1=O 1324527774 JJBDHRZRCFZCIT-SNVBAGLBSA-N 319.321 -0.102 30 20 DBED C#CCNC(=O)C1CCN(C(=O)c2ccc(C(N)=O)o2)CC1 1325278368 KAFIWEDKCKWUQP-UHFFFAOYSA-N 303.318 -0.020 30 20 DBED COC(=O)CCCNC(=O)C(=O)NC1CCN(CC#N)CC1 1325369855 LBWCJRSMLHWKTN-UHFFFAOYSA-N 310.354 -0.840 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N[C@@H](C)[C@H]2CCCNC2)nn1 1325830325 RNSPYRVFMWTYNS-RYUDHWBXSA-N 320.397 -0.415 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CC[C@@H]2C[C@H]2C1 1328475550 JGNYZQPXPVWWBX-MNOVXSKESA-N 300.380 -0.428 30 20 DBED C[C@@H](CN1CCCC1=O)NC(=O)C(=O)N[C@@H]1CC[C@H](C#N)C1 1329197259 IJBBRJJDXCBKCH-SDDRHHMPSA-N 306.366 -0.078 30 20 DBED COC(=O)[C@@H]1CN(C(=O)C(=O)NCC2(CC#N)CC2)C[C@H](C)O1 1332816064 UVVCIGHNMJFFAW-QWRGUYRKSA-N 323.349 -0.415 30 20 DBED CCN1CCC[C@@H](NC(=O)C(=O)N2CC[C@@](F)(C#N)C2)C1=O 1333247022 VZFOGMRSULALAI-QMTHXVAHSA-N 310.329 -0.422 30 20 DBED C=CCN(C(=O)C1(NC(N)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1336789785 GCGMYXBGTNHWMT-SECBINFHSA-N 301.368 -0.611 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)CN2CCC(=O)NC2=O)C1=O 1344547593 BTQPKPPBFVBILR-SNVBAGLBSA-N 308.338 -0.826 30 20 DBED C=C(C)COCCNC(=O)C(=O)NCc1cnc(N(C)C)n1C 1347082035 SVTDFEVTQAYCFZ-UHFFFAOYSA-N 323.397 -0.189 30 20 DBED C=CCC(C)(C)Cn1nnnc1N1C[C@H]2C(=O)NC(=O)[C@H]2C1 1352405127 OZFADDBEFXVEON-AOOOYVTPSA-N 304.354 -0.016 30 20 DBED COC(=O)CN(C(=O)CCn1cc(C#N)c(O)nc1=O)C1CC1 1362415266 WOEDFNAIEWRYSY-UHFFFAOYSA-N 320.305 -0.625 30 20 DBED COC[C@H](NC(=O)CCn1cc(C#N)c(O)nc1=O)C1CC1 1362519173 XGECGGVEUQABGO-NSHDSACASA-N 306.322 -0.248 30 20 DBED C=C(Cl)CNC[C@@H](O)CNC(=O)[C@H](C)CN1CCOCC1 1367622969 IISCLDTZRJPXDS-DGCLKSJQSA-N 319.833 -0.226 30 20 DBED C=C(Cl)CN[C@@H](C)CN(C)C(=O)Cn1ncn(C)c1=O 1369267957 XRLJLOIJRFUZSW-JTQLQIEISA-N 301.778 -0.229 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)c2ccn(C)c(=O)c2)C1 1372574884 MQZTYEGAGPWJKE-DLOVCJGASA-N 302.334 -0.078 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)CCc3nc[nH]n3)[C@H]2C1 1372703610 FPVSUKFXVLEYGH-QISWUMQESA-N 302.338 -0.530 30 20 DBED CN(CCNC(=O)CCc1nc[nH]n1)C(=O)c1cc(C#N)c[nH]1 1373392995 CRIRWLZNAKAWRC-UHFFFAOYSA-N 315.337 -0.175 30 20 DBED C[C@H](C#N)C(=O)NCC1CN(C(=O)Cn2cc(C3CC3)nn2)C1 1389924182 RGNHVRGBBWQITC-SNVBAGLBSA-N 316.365 -0.110 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](C)CNC(=O)Cc1nnn(C(C)(C)C)n1 1400070299 SVIZLEMBMDFVHX-VHSXEESVSA-N 321.385 -0.249 30 20 DBED CC(=O)NCC(=O)N[C@@]1(C)CCN(C(=O)c2ccc(C#N)[nH]2)C1 1400868927 WYZZLSMNWLKIPN-HNNXBMFYSA-N 317.349 -0.257 30 20 DBED CNC(=O)NC(=O)CN1CCC(CCNC(=O)[C@@H](C)C#N)CC1 1405561667 JLPKKPQACLPYOY-NSHDSACASA-N 323.397 -0.180 30 20 DBED CNC(=O)NCCC(=O)N1[C@H]2CC[C@H]1CN(C(=O)[C@@H](C)C#N)C2 1407724082 JFKVFJHXKPEACM-SRVKXCTJSA-N 321.381 -0.333 30 20 DBED CS(=O)(=O)CC(=O)N[C@H]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 1407815837 UKQDCHCCJNWGMU-MGCOHNPYSA-N 324.362 -0.692 30 20 DBED C[C@@H](O)[C@H]1CCCCN1C(=O)Cn1cc(C#N)c(O)nc1=O 1411968836 USOBKIRDOUOCIX-MWLCHTKSSA-N 306.322 -0.418 30 20 DBED Cc1nn(CC(=O)N[C@H](C)C(=O)N(C)C)c(=O)c(C#N)c1C 1412922404 KIOWFXAAZBOYCK-SNVBAGLBSA-N 305.338 -0.675 30 20 DBED COC(=O)C1(C#N)CCN(C(=O)CS(=O)(=O)C2CC2)CC1 1417835073 CEBNQVJUYDQUKZ-UHFFFAOYSA-N 314.363 -0.131 30 20 DBED CC[C@@H]1CN(C)CCN1C(=O)Cn1cc(C#N)c(O)nc1=O 1417878282 KEUXLVIKQPMUAG-LLVKDONJSA-N 305.338 -0.627 30 20 DBED CCN(CCC#N)C(=O)CN1CCO[C@@H](CNC(=O)C2CC2)C1 1421780709 DUNIZTOPHRTALK-AWEZNQCLSA-N 322.409 -0.024 30 20 DBED N#Cc1ccc(C(=O)N2CC(CNC(=O)Cn3cncn3)C2)[nH]1 1432491597 QHMGZZHTHYFGQE-UHFFFAOYSA-N 313.321 -0.634 30 20 DBED COC(=O)c1c(S(=O)(=O)N2CC(O)(CC#N)C2)n[nH]c1C 1434567382 MWYPRHNHPGSSNV-UHFFFAOYSA-N 314.323 -0.846 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCN(C)Cc1nnc2n1CCOC2 1438863568 HNHYBXCQANYXMK-NSHDSACASA-N 306.370 -0.142 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)COCc2ccnn2C)C1 1450392984 MQWQDFORPVNAPP-JTQLQIEISA-N 305.338 -0.577 30 20 DBED CC[C@@H](O)[C@@H]1CCCCN1C(=O)Cn1cc(C#N)c(O)nc1=O 1469615020 HTQVPUPEXDFYFM-NWDGAFQWSA-N 320.349 -0.027 30 20 DBED COCCN(CCNC(=O)[C@H](C)C#N)C(=O)c1cncnc1 1488543441 WXTGLWGEGMRQJJ-LLVKDONJSA-N 305.338 -0.159 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1C[C@@H](NC(=O)[C@H]2CC(=O)N(C)C2)C1 1514931858 XEXBYMJRCBEYAA-FIQHERPVSA-N 306.366 -0.365 30 20 DBED CNC(=O)N[C@@H]1CCN(c2cnc(C#N)c(-c3nn[nH]n3)n2)C1 1579402720 NLHJLYFZTPUSEG-SSDOTTSWSA-N 314.313 -0.964 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N2CCC[C@@H]3CC[C@]32CN)CCO1 1580041943 KIQCILOMVNWDFC-UPJWGTAASA-N 314.411 -0.341 30 20 DBED C=C(CO)C(=O)N1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 1588444359 YKHTXXQGBPZKDO-UHFFFAOYSA-N 315.337 -0.541 30 20 DBED C[C@@](C#N)(CC(=O)O)C(=O)N1CC(C2CS(=O)(=O)C2)C1 1588536266 VFXKCJIKFUOORP-LBPRGKRZSA-N 300.336 -0.506 30 20 DBED C[C@@H](C(=O)O)N(C1CC1)S(=O)(=O)N1CCO[C@H](C#N)C1 1588592627 CYQUUEUMAQPIBO-WCBMZHEXSA-N 303.340 -0.607 30 20 DBED C=CCCC[C@H](NC(=O)CN1CCS(=O)(=O)CC1)C(=O)O 1588788412 BJXIORKPXNPSOK-NSHDSACASA-N 318.395 -0.358 30 20 DBED C=CCOC[C@@H](NC(=O)c1cccnc1OCCO)C(=O)O 1588861603 IMXBWFGYKHMRFU-LLVKDONJSA-N 310.306 -0.162 30 20 DBED CO[C@H](Cn1c(N)nc(-c2nn[nH]n2)c1C#N)[C@H]1CCOC1 1591333147 JEXXZQWFEOLQBZ-IONNQARKSA-N 304.314 -0.431 30 20 DBED C=C(C)CN(CC)C(=O)Cn1c(O)ncc(-c2nn[nH]n2)c1=O 1602758908 UOHVMWOQFFZGLE-UHFFFAOYSA-N 319.325 -0.446 30 20 DBED COCCOC[C@@H](C)Nc1cnc(-c2nn[nH]n2)c(C#N)n1 1605109577 PKVUFYLRAFLBJD-MRVPVSSYSA-N 304.314 -0.008 30 20 DBED C[C@H](NCC#N)[C@H]1CCCCN1C(=O)Cn1ccc(O)nc1=O 1752142455 JGNCHPSAOKLJDQ-NWDGAFQWSA-N 319.365 -0.168 30 20 DBED N#CCNC(=O)CN1C[C@@H]2CC[C@H](C1)N2C(=O)CC1(O)CCC1 1752534090 FZMIKXIKVJWNBI-BETUJISGSA-N 320.393 -0.394 30 20 DBED CN1CC(=O)N(CC(=O)N2CCC[C@H](CNCC#N)C2)C1=O 1752812762 PUTLHSYGOSSBPD-LLVKDONJSA-N 307.354 -0.768 30 20 DBED C#CCNC(=O)CNCCN(C)C(=O)c1cc(C2CC2)no1 1753237245 WSSIBKMZQWLHCR-UHFFFAOYSA-N 304.350 -0.037 30 20 DBED CC#CCNC[C@H](O)CNC(=O)c1cnoc1-c1cnn(C)c1 1753922902 YSFBWHHHANUKEO-LBPRGKRZSA-N 317.349 -0.221 30 20 DBED CNC(=O)NC(=O)CNCC[C@@H](C)NC(=O)CSCC#N 1753949658 ATONMVMJXJHZCW-SECBINFHSA-N 315.399 -0.817 30 20 DBED CC#CCN(C)C[C@H](C)NC(=O)CCS(=O)(=O)N(C)C 1754335552 FFEBQBLEQWEJED-LBPRGKRZSA-N 303.428 -0.272 30 20 DBED C=C(C)CN1CC[C@](O)(CNC(=O)[C@@H]2CN(CC)CCO2)C1 1754762399 OSHTVEHTIPLXAF-HOCLYGCPSA-N 311.426 -0.164 30 20 DBED C#CCNCCN(CCO)C(=O)[C@@H]1CCCCN1C(=O)CC 1754884706 PXLVCVDORDKXJO-AWEZNQCLSA-N 309.410 -0.179 30 20 DBED COCC#CCN[C@]1(CO)CCCN(C(=O)c2ncn(C)n2)C1 1755084952 WGIMMZKGKFQNGT-OAHLLOKOSA-N 321.381 -0.978 30 20 DBED CC1(NCC(=O)NCC#N)CCN(C(=O)c2cn[nH]c2)CC1 1755125746 FGNODEBARCRKHO-UHFFFAOYSA-N 304.354 -0.366 30 20 DBED C#CCCNCC1(O)CCN(C(=O)CO[C@@H]2CCOC2)CC1 1755154436 PAEYKTGRVYKPKJ-CQSZACIVSA-N 310.394 -0.242 30 20 DBED C#CCN(C)CCOCCNC(=O)[C@H]1CCc2nnc(O)n2C1 1755542060 WSDPIZFPPNHFFO-LBPRGKRZSA-N 321.381 -0.756 30 20 DBED N#CCNC(=O)CNC[C@H]1CC[C@@H](NC(=O)c2cn[nH]c2)C1 1755731971 ZWVGZMODKMCICQ-CMPLNLGQSA-N 304.354 -0.462 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@@H](O)CN(C)C(=O)c1ccsc1 1755771752 RSJUOGGZJOXOJN-DGCLKSJQSA-N 323.418 -0.092 30 20 DBED CCn1ccc(C(=O)N(C)C[C@H](O)CN(C)CC#CCOC)n1 1755804716 HCILQLACPQOHSI-CQSZACIVSA-N 322.409 -0.083 30 20 DBED C=C(C)CCC(=O)N[C@H](CO)CNC(=O)[C@@H](C)n1cncn1 1756513098 AKLGWBOCHYYLNB-NEPJUHHUSA-N 309.370 -0.211 30 20 DBED C=C(C)C[C@H](C)C(=O)N[C@H](CO)CNC(=O)Cc1n[nH]c(C)n1 1756520948 HERBIQFMNXESID-JQWIXIFHSA-N 323.397 -0.149 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H](CO)CNC(=O)c1ccnnc1C 1756534729 CIYHHQPOGYMFAN-VXGBXAGGSA-N 322.365 -0.417 30 20 DBED C#CCCCC(=O)N(C)C[C@@H](O)CNC(=O)[C@H]1CCCC(=O)N1 1756661331 XBDOHUJWWOMGCI-QWHCGFSZSA-N 323.393 -0.606 30 20 DBED C=C[C@](C)(CC)C(=O)N(C)C[C@@H](O)CNC(=O)c1cnnn1C 1756675345 CGVVGPBXQRFHKB-XHDPSFHLSA-N 323.397 -0.034 30 20 DBED C=C[C@@](C)(O)CC(=O)NC1CC(N(C)C(=O)Cn2cnnn2)C1 1756733964 JSMFSFJUYQFIGC-QIMFLAQGSA-N 322.369 -0.894 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1nccnc1C)CCO2 1783055066 SRYUYWNDYGVCJE-INIZCTEOSA-N 314.345 -0.138 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cc(C)cn1 1795888631 MTGPKIKYVWZVBT-YWVIFJGQSA-N 316.361 -0.586 30 20 DBED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)CNC(C)=O)C1 1845989660 OMXOZLJAECRBPJ-GFCCVEGCSA-N 321.377 -0.636 30 20 DBED COCCN(CCC#N)S(=O)(=O)c1[nH]ncc1C(=O)O 71228567 SBJWQZOSEMUFLN-UHFFFAOYSA-N 302.312 -0.341 30 20 DBED CC[C@H](C#N)NC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 102354108 GFGNJFAWKYTJTJ-MRVPVSSYSA-N 301.306 -0.336 30 20 DBED CNC(=O)[C@@H](NC(=O)CN1CCOC[C@H]1C#N)c1ccccc1 246222943 LRYAJGBLKCFKGQ-HIFRSBDPSA-N 316.361 -0.186 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCC(C)(C)CCO)C1=O 269524388 IJGZMLJBFQAPDK-UHFFFAOYSA-N 311.338 -0.512 30 20 DBED N#Cc1ncn(CCNC(=O)NCCNc2ccccn2)n1 286953405 MRSFYQCGMQNAIW-UHFFFAOYSA-N 300.326 -0.044 30 20 DBED COC(=O)[C@H](CC(C)C)NC(=O)Cn1cncc(C#N)c1=O 289311751 FAXODUPPVIZHDN-NSHDSACASA-N 306.322 -0.181 30 20 DBED CCC[C@H](C)C(=O)NCCNc1c(C#N)c(=O)n(C)c(=O)n1C 292873397 YCFHSNOYJZLHJX-JTQLQIEISA-N 321.381 -0.080 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@@H](C)OC[C@@H]2C)C1=O 299560555 SDEHSCKAQSTEEM-VHSXEESVSA-N 309.322 -0.401 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCOC[C@@]2(C)CC)C1=O 330629241 MRGCQJIXRJHCKJ-OAHLLOKOSA-N 323.349 -0.009 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@H]2CC[C@@H](C(=N)O)O2)CC1 331023835 MSLTZRIBZSRFNJ-NWDGAFQWSA-N 324.381 -0.484 30 20 DBED COCCCN1CCC(/N=C(/O)N2C[C@@H](O)C[C@H]2CO)CC1 331116210 MCHLTBXPGCSMAV-KBPBESRZSA-N 315.414 -0.171 30 20 DBED C[C@H]1COCCN1CCNC(=O)C(=O)Nc1ccc(C#N)cn1 339998600 GXCOCSPKMDULIU-NSHDSACASA-N 317.349 -0.271 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)c2nccn2CC)CC1 362459728 YKVCFYFIWURRAZ-UHFFFAOYSA-N 305.382 -0.037 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2C[C@@H]3CCNC[C@@H]3C2)nn1 424549545 RNOQRNFRXVJAQE-NWDGAFQWSA-N 318.381 -0.852 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C(=O)[C@H](C)C#N)C[C@@H]1C(=O)N(C)C 434261765 RRUDGWJUCSXYKL-GRYCIOLGSA-N 319.365 -0.567 30 20 DBED N#Cc1ccc(S(=O)(=O)N2CC[C@H](S(N)(=O)=O)C2)s1 435437595 LKYLQOGZAODLHH-QMMMGPOBSA-N 321.405 -0.329 30 20 DBED N#Cc1ncn(CC(=O)N2CC[C@H](OCCN3CCCC3)C2)n1 443867305 IUTVRXUVLXEIIF-ZDUSSCGKSA-N 318.381 -0.137 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)C(C)(C)CCOC)CC1 491220491 NXNOICWISQRUHP-UHFFFAOYSA-N 309.410 -0.057 30 20 DBED N#C[C@]1(NC(=O)Cn2cnc(C(N)=O)n2)CCc2ccccc2C1 593134358 YXMQKLQZEUUSIC-INIZCTEOSA-N 324.344 -0.056 30 20 DBED CC(C)[C@@H](C#N)N1CCN(C(=O)C2(S(N)(=O)=O)CC2)CC1 593443041 CGAVWCSDBHDGLE-LLVKDONJSA-N 314.411 -0.500 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)NCc1nc(C(N)=O)co1 594803440 NFWBEDKLRHDISS-SSDOTTSWSA-N 301.328 -0.801 30 20 DBED C=CCN([C@@H](C)COC)S(=O)(=O)N1CCO[C@H](C#N)C1 594807103 FPKGAHQALIHZLX-NWDGAFQWSA-N 303.384 -0.022 30 20 DBED N#Cc1ccc(NC(=O)C(=O)NCCN2CC[C@@H](O)C2)cc1F 600070157 FLHAOQBMZSZHGJ-GFCCVEGCSA-N 320.324 -0.181 30 20 DBED CN1CCN(C(=O)CN(C)CCC(=O)N(C)CCC#N)CC1 602989259 JKLPZTWVNCTYEN-UHFFFAOYSA-N 309.414 -0.546 30 20 DBED CC#CC[C@@H](CO)NC(=O)c1cc(S(=O)(=O)N(C)C)c[nH]1 649190125 UEKHSPIOTXOGQP-JTQLQIEISA-N 313.379 -0.231 30 20 DBED CC#CC[C@@H](CO)NC(=O)CNS(=O)(=O)c1cccs1 649191398 RKYAVNXBOAIUKJ-JTQLQIEISA-N 316.404 -0.083 30 20 DBED CC#CC[C@H](CO)NC(=O)Cn1nnc2ccccc2c1=O 649192388 GUZIZARUSKQHMB-LLVKDONJSA-N 300.318 -0.318 30 20 DBED CNC(=O)CNC(=S)NN=Cc1ccc2c(c1)nnn2C 737431367 GLMQQLCGPAPWIA-UHFFFAOYSA-N 305.367 -0.488 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@H](C)NC(=O)OC 761525677 LAPOZTJJUIUBMZ-YUMQZZPRSA-N 301.299 -0.326 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)c1ccc2nnnn2c1 786050442 YYEGLRJXUKQPFD-UHFFFAOYSA-N 304.266 -0.707 30 20 DBED N#C[C@@]1(F)CCN(C(=O)C2=CC=CN3CCS(=O)(=O)N=C23)C1 786233200 MWFZSQSQEYQHAD-ZDUSSCGKSA-N 324.337 -0.052 30 20 DBED CNC(=O)NCCC(=O)O[C@H](C(N)=O)c1ccc(C#N)cc1 795638303 SOZJTUCLQVSXOO-LBPRGKRZSA-N 304.306 -0.053 30 20 DBED C[C@@H](C(=O)NS(=O)(=O)CC1(C#N)CCC1)n1cnc(C#N)n1 798856513 MVONSBLMYGMAMD-VIFPVBQESA-N 322.350 -0.149 30 20 DBED C#C[C@@H](NC(=O)C(=O)N1CCC2(C1)OCCO2)[C@@H]1CCCO1 809309174 LYIBAHQHNKOGJP-NEPJUHHUSA-N 308.334 -0.741 30 20 DBED C#Cc1cccc(CNC(=O)C(=O)N(C[C@@H](C)O)[C@H](C)CO)c1 817846104 MYQMPRYSPIGPEP-CHWSQXEVSA-N 318.373 -0.126 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)Cc2ccncc2)CC1 831556397 MHIDKUPKPOZCEA-UHFFFAOYSA-N 322.390 -0.764 30 20 DBED C#CC[C@H](NS(=O)(=O)N1CCOC(C)(C)C1)C(=O)OC 841540913 OSOOXJUESXWZKO-JTQLQIEISA-N 304.368 -0.504 30 20 DBED C=CCn1cc(C(=O)NS(=O)(=O)CCCC(=O)OC)nn1 842717014 SUUNYBVIAHBDOO-UHFFFAOYSA-N 316.339 -0.523 30 20 DBED C[C@H](C(=O)N(C)CC(=O)N[C@@H]1CNC[C@@H]1C#N)n1cccn1 844194148 AHKYHTSYSAWKEG-GRYCIOLGSA-N 304.354 -0.870 30 20 DBED CN(C)S(=O)(=O)N(C)CC(=O)OCCCSCC#N 845201133 PZQJNKDXCVRFLY-UHFFFAOYSA-N 309.413 -0.085 30 20 DBED C#CC[C@@H](CO)NC(=O)c1cccc([C@]2(C)NC(=O)NC2=O)c1 854544523 QRENHHNQFSJPMA-LRDDRELGSA-N 315.329 -0.145 30 20 DBED C#CC1(O)CN(C(=O)[C@H]2CS(=O)(=O)C[C@@H]2C(F)(F)F)C1 890527442 SGIREMILPKBSFP-YUMQZZPRSA-N 311.281 -0.584 30 20 DBED C#CCSCC(=O)N1CCN(CC(=O)NCCOC)CC1 900019838 KFGVOXGLHURICN-UHFFFAOYSA-N 313.423 -0.740 30 20 DBED C#CCN1CCN(C(=O)CN2C(=O)NCC(C)(C)C2=O)CC1 902517572 TWWABHARBABIEJ-UHFFFAOYSA-N 306.366 -0.658 30 20 DBED C#CC1(O)CN(S(=O)(=O)c2cc(C(=O)OC)cs2)C1 908232516 ROIMIGWBZJUTOR-UHFFFAOYSA-N 301.345 -0.097 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@H]1CCN(C)C(=O)C1 912703216 CVTUICHNLNZCLW-UWVGGRQHSA-N 311.338 -0.202 30 20 DBED C#CC[C@H]1NC(=O)N(CCCN2CCC[C@H](C(N)=O)C2)C1=O 927425019 NLVLJCRBJISLOP-NWDGAFQWSA-N 306.366 -0.483 30 20 DBED C#CCN1CCC(NC(=O)C(C)(C)NS(C)(=O)=O)CC1 928654734 AZIKUNOPNZKJCL-UHFFFAOYSA-N 301.412 -0.472 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)Cc1cncn1C 937529829 YZDHKTFSSDMVDG-DRZSPHRISA-N 301.350 -0.066 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](N(C)C(=O)c2cn(C)c(=O)n2C)C1 939405782 HAVMDZTVEUCIJW-MNOVXSKESA-N 319.365 -0.444 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C2CN(Cc3ncnn3C)C2)CC1 941349518 YBFLHJYLJXXGTB-GFCCVEGCSA-N 317.397 -0.697 30 20 DBED CC#CCN1CC[C@H](NC(=O)CN2CCOCC2=O)[C@H](C)C1 942130071 LQYWJJGNHCADOM-KGLIPLIRSA-N 307.394 -0.305 30 20 DBED CC#CCN1CC[C@@H](NC(=O)Cn2c(O)nnc2O)[C@H](C)C1 944347006 NWBNUSFKSFXTRR-GHMZBOCLSA-N 307.354 -0.461 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@H](CNC(=O)[C@@H]2[C@H]3COC[C@H]32)C1 944725624 IPMUNKKCZTZTGQ-OBPIAQAESA-N 307.350 -0.618 30 20 DBED CN(C(=O)Cn1cnnc1O)C1CN(C(=O)C#CC2CC2)C1 954107958 GXEZKHAQNPMXMZ-UHFFFAOYSA-N 303.322 -0.934 30 20 DBED C=CCN1CC[C@@H](N2CCN(C(=O)Cn3cncn3)CC2)C1=O 957572509 MZLVPWVGESCMRP-CYBMUJFWSA-N 318.381 -0.791 30 20 DBED CC#CCN1C[C@H](CNC(=O)c2cnc3n2CCC3)[C@@H](O)C1 958149942 XQOPQIIRMKPYSQ-JSGCOSHPSA-N 302.378 -0.125 30 20 DBED N#CCN1C[C@@H](O)[C@H](CNC(=O)c2cn3cccnc3n2)C1 958215225 URXHBZFMISSPFU-ZYHUDNBSSA-N 300.322 -0.725 30 20 DBED Cc1nc(C)c(C(=O)NC[C@H]2CN(CC#N)C[C@H]2O)nc1C 958240212 YRCGSKCLKIUPGV-QWHCGFSZSA-N 303.366 -0.052 30 20 DBED Cn1ncc2cc(C(=O)NC[C@@H]3CN(CC#N)C[C@H]3O)cnc21 958525442 IBHNOXYZKWVUDN-CHWSQXEVSA-N 314.349 -0.486 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H]2CN(C(=O)c3ccn(C)n3)C[C@@H]21 960874193 JBNZAMWJNJPGQN-WCFLWFBJSA-N 317.349 -0.368 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CN(C(=O)[C@@H](C)n3cncn3)C[C@H]2C1 961408151 PQGWKQWLHUCATN-LPWJVIDDSA-N 316.365 -0.084 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CN(C(=O)[C@@H]3CCC(=O)N3C)C[C@H]2C1 962127042 MMDNCOOTNQUVGW-NDBYEHHHSA-N 318.377 -0.316 30 20 DBED COc1c(O)nc(O)nc1C(=O)NC1[C@@H]2CN(CC#N)C[C@@H]12 962278525 GYLGVRCGNBZWNR-RNFRBKRXSA-N 305.294 -0.920 30 20 DBED O=C(N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O)[C@@H]1CCCOCC1 962578085 RFQYJVDQSRSIRO-KFWWJZLASA-N 320.389 -0.096 30 20 DBED CN1C(=O)CN(CC(=O)N(C)C2CCC(NCC#N)CC2)C1=O 964185912 SCHWNKNBZBWDTK-UHFFFAOYSA-N 321.381 -0.237 30 20 DBED COc1nc(C(=O)NC[C@H]2COCCN2C(=O)[C@H](C)C#N)co1 964265234 DTXQLDBXGYVHDY-ZJUUUORDSA-N 322.321 -0.200 30 20 DBED C[C@@H]1CCCN1CC(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 970637541 JWOCLTNZGXZMCR-YUELXQCFSA-N 319.405 -0.428 30 20 DBED C=CCN1C[C@H]2CC[C@H]1CN2C(=O)CN1C(=O)CN(C)C1=O 972091948 XSZAQJJYXATMGU-NWDGAFQWSA-N 306.366 -0.258 30 20 DBED C#CCN1CCCN(C(=O)CN2C(=O)NC(=O)C2(C)C)CC1 989412179 HAJUBGJMCZRXGX-UHFFFAOYSA-N 306.366 -0.516 30 20 DBED O=C(N[C@@H]1CCN(C(=O)C#CC2CC2)C[C@H]1O)c1cnsn1 991307709 MOUSNFJZISKXCT-ZYHUDNBSSA-N 320.374 -0.357 30 20 DBED COCCn1ccc(C(=O)NC2CN(C(=O)C#CC3CC3)C2)n1 996867277 SNHDUFDPBICZJB-UHFFFAOYSA-N 316.361 -0.117 30 20 DBED C#Cc1ccc(C(=O)N2CC(NC(=O)[C@H]3C[C@H]3C(N)=O)C2)cc1 999914868 AFENQIJEDLFXOC-KGLIPLIRSA-N 311.341 -0.270 30 20 DBED COCCn1cc(C(=O)NCC2CCN(CC#N)CC2)nn1 1001394168 VHBAPIATVVYISK-UHFFFAOYSA-N 306.370 -0.110 30 20 DBED COc1cc(C(=O)NCC2CN(C(=O)[C@@H](C)C#N)C2)nn1C 1003411562 ARNKOTWPFIGQGC-VIFPVBQESA-N 305.338 -0.223 30 20 DBED CC#CCN1CCC(N(C)C(=O)c2nnc(O)nc2O)CC1 1005666806 HWUNESUPQSVMJP-UHFFFAOYSA-N 305.338 -0.158 30 20 DBED CC1(C)CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1NC(=O)C(N)=O 1008523303 UFPMUXMZQGSCIO-JTQLQIEISA-N 303.322 -0.662 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCN(C(=O)c2ncc[nH]2)CC1 1011100827 UIJGEMGXSZSTPG-ZDUSSCGKSA-N 315.377 -0.208 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C(=O)c2cc(C(N)=O)c[nH]2)CC1 1012237149 ZSKIZUQLJIDCSH-SECBINFHSA-N 303.322 -0.442 30 20 DBED CN1CC(=O)N(CC(=O)N[C@H]2CC23CCN(CC#N)CC3)C1=O 1016964341 JILRNKFAQRYXGT-NSHDSACASA-N 319.365 -0.625 30 20 DBED C[C@H](C#N)C(=O)N1CC=C(CNC(=O)[C@H]2C[C@H]2C(N)=O)CC1 1017737383 AIHBDZYDNYEEAA-JLLWLGSASA-N 304.350 -0.458 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(CN(C(=O)c3cnc(O)n3C)C2)C1 1019253065 LRGLJBVRSUAGGD-JTQLQIEISA-N 317.349 -0.040 30 20 DBED CC(F)(F)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 1023455169 MSDUQFKVLFXART-NXEZZACHSA-N 312.276 -0.157 30 20 DBED C#CCN[C@@H]1CC[C@H]2CN(C(=O)Cn3c(O)nnc3O)C[C@H]21 1026407293 MUXPQOJNQTZXST-HBNTYKKESA-N 305.338 -0.851 30 20 DBED C=CCN1CC[C@H](NC[C@@H]2CCN(C(=O)CC(N)=O)C2)C1=O 1026742627 CJYOSSKFFGDDIV-RYUDHWBXSA-N 308.382 -0.913 30 20 DBED CC#CCN1CCC[C@@H]1CNC(=O)[C@@H]1CCN(C)S1(=O)=O 1028196586 OCTGAGYPAXFLBQ-OLZOCXBDSA-N 313.423 -0.376 30 20 DBED C#CCCN1CC[C@@H](N(C)C(=O)[C@H]2COCCN2C(C)=O)C1 1033677240 YRZYTKAQVBXNOU-HUUCEWRRSA-N 307.394 -0.210 30 20 DBED C#CCCN1CCO[C@@H](CNC(=O)c2cc(C(N)=O)co2)C1 1035505921 KEJPSATXXMZZNJ-LBPRGKRZSA-N 305.334 -0.168 30 20 DBED N#CCN1CCO[C@@H](CNC(=O)c2nc3ncccn3n2)C1 1035549549 PEJLHKXKIAGFIL-JTQLQIEISA-N 301.310 -0.922 30 20 DBED N#CCN1CC[C@H]2CN(C(=O)CCN3C(=O)CCC3=O)CC[C@@H]21 1036766310 WWCIJOHDHJMVBO-STQMWFEESA-N 318.377 -0.028 30 20 DBED C=CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)c1nc(C)n(-c2nc[nH]n2)n1 1037539632 PLNVOLMPGVEYBD-VWYCJHECSA-N 314.353 -0.318 30 20 DBED Cn1c(C(=O)N[C@@H]2[C@H]3C[C@H]2N(CC#N)C3)c2n(c1=O)CCCC2 1037586577 IARCCJVLQRFBHQ-CYZMBNFOSA-N 315.377 -0.151 30 20 DBED C=CCN1CC[C@H](N2CC[C@@H]2CNC(=O)C2=COCCO2)C1=O 1038031999 KGQBNRLXRIIVHW-OLZOCXBDSA-N 321.377 -0.148 30 20 DBED C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CN1CCC(=O)NC1=O 1039459033 AMJOJNFAHXNXTM-OLZOCXBDSA-N 318.377 -0.373 30 20 DBED O=C(C#CC1CC1)NC[C@]1(O)CCN(C(=O)[C@@]2(F)CCOC2)C1 1039684921 GFNHTTOMHFQVJN-HZPDHXFCSA-N 324.352 -0.392 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@]1(O)CCN(C(=O)C2CCC2)C1 1039720773 DVLAGAKOHJPGMG-LRDDRELGSA-N 308.378 -0.096 30 20 DBED N#Cc1cncc(N2C[C@@H](O)[C@H](NC(=O)c3cocn3)C2)n1 1040950497 LHUMURHGSPMAKB-MWLCHTKSSA-N 300.278 -0.684 30 20 DBED C#CCN1CC[C@]2(CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)C1 1041675932 SRPCDXDNSOWEEA-ZENOOKHLSA-N 305.378 -0.423 30 20 DBED C[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1NC(=O)c1cnnn1C 1041871560 RTTYJBDBFPPHRX-MWLCHTKSSA-N 312.337 -0.269 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1043032821 IXVRFLCCGLKWHN-UHFFFAOYSA-N 304.346 -0.871 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)CCOCC(F)F)C1 1043174732 KLUPGVNFIIAAKB-SECBINFHSA-N 319.308 -0.493 30 20 DBED C=C(C)CCC(=O)NCC1(O)CN(C(=O)c2nccnc2N)C1 1043312389 SLYRTVQQQVTDBR-UHFFFAOYSA-N 319.365 -0.282 30 20 DBED Cc1nn(C)c(C)c1C(=O)NCC1(O)CN(C(=O)[C@H](C)C#N)C1 1044135586 XWVDDZJGGTZAQT-SECBINFHSA-N 319.365 -0.500 30 20 DBED C[C@@H]1C[C@H](NCc2nc(=O)n(C)[nH]2)CCN1C(=O)C#CC1CC1 1044603419 QKIWIGICBSMDDP-DGCLKSJQSA-N 317.393 -0.009 30 20 DBED CC[C@@H]1OCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@H](C)C#N)C1 1044618514 ZRBWZGBFFPNUDC-UTUOFQBUSA-N 309.366 -0.349 30 20 DBED C=CCCCC(=O)NCC1(O)CN(C(=O)[C@H](COC)OC)C1 1045458823 NHNKVHPEMZUZAA-LBPRGKRZSA-N 314.382 -0.306 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)C2(CN(C)C)CC2)C1 1045546520 NMSNPQMAIZPLMT-LLVKDONJSA-N 308.382 -0.823 30 20 DBED N#CCN1CC[C@H](N2CCN(C(=O)C[C@H]3CCNC3=O)CC2)C1 1046036012 YPBRCTDIWFKGLB-KGLIPLIRSA-N 319.409 -0.745 30 20 DBED C#CCCN1CC[C@H](N2CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)C1 1046078725 OTWFXYHGBLZCQM-GJZGRUSLSA-N 318.421 -0.493 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(O)(CNC(=O)C2(CF)CC2)C1 1046358769 FLVRFSZJKZHOOX-ZDUSSCGKSA-N 314.357 -0.247 30 20 DBED C=CCn1cc(C(=O)N[C@@]2(C)CCN([C@H](CC)C(N)=O)C2)nn1 1046680747 HSMVWDXBYNOEDZ-DOMZBBRYSA-N 320.397 -0.078 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CN(CC)CCO2)C1 1047634196 ZBCQVHXSXYSVIF-SOUVJXGZSA-N 309.410 -0.766 30 20 DBED C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)CN1C(=O)CNC1=O 1049886651 SUDXNLJYVAZFNY-NWDGAFQWSA-N 306.366 -0.211 30 20 DBED C=CCOCC(=O)N[C@H](C)[C@@H]1CCN(C(=O)CNC(N)=O)C1 1049984069 QNELPBYVOCFDMZ-GHMZBOCLSA-N 312.370 -0.790 30 20 DBED C=CCOCC(=O)N1CC[C@@H]([C@@H](C)NC(=O)c2cn(C)nn2)C1 1050296496 GQPGPXLAYQUCRN-VXGBXAGGSA-N 321.381 -0.016 30 20 DBED C#CCN1CCN([C@H]2CCN(C(=O)[C@H]3CC(=O)N(C)C3)C2)CC1 1052035453 JUFUEUQSUQGSHS-GJZGRUSLSA-N 318.421 -0.684 30 20 DBED C=CCN1CCN([C@H]2CCN(C(=O)C3(C(N)=O)CC3)C2)CC1 1052073669 LJQKVHRLPHMXCD-ZDUSSCGKSA-N 306.410 -0.344 30 20 DBED C[C@H]1CN(C(=O)c2nnn(C)n2)C[C@@H]1CNC(=O)C#CC1CC1 1053170905 GWYQWNQUAOQSCZ-JQWIXIFHSA-N 316.365 -0.552 30 20 DBED CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CCOC2(CN(CC#N)C2)C1 1053430008 HNSRVVYVVZXMPF-NEPJUHHUSA-N 306.366 -0.853 30 20 DBED C#CCN1CC2(CC[C@H](CNC(=O)c3cnnc(O)c3)O2)C1 1053613984 DNDXGUZHWORLNG-GFCCVEGCSA-N 302.334 -0.221 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)[C@@H]3CCNC(=O)CC3)CO2)C1 1053881670 MYJVXBNWPFMMFS-UONOGXRCSA-N 319.405 -0.115 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)C[C@H]3CCCCC(=O)N3)CO2)C1 1053993022 FNQFFBGGBAWXEC-OLZOCXBDSA-N 320.393 -0.082 30 20 DBED C#CCN[C@H]1CN(C(=O)Cn2nc3ccccn3c2=O)C[C@H]1C 1054951352 LZZMUJHOXQQRJH-OLZOCXBDSA-N 313.361 -0.434 30 20 DBED CN1C(=O)CC[C@@H]1C(=O)N1CCN(c2nccnc2C#N)CC1 1055987708 APJAXDSDKSVBKE-GFCCVEGCSA-N 314.349 -0.382 30 20 DBED NC(=O)NCC(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)C#CC1CC1 1056220703 NAPNOVSHZVVWGO-OLZOCXBDSA-N 318.377 -0.340 30 20 DBED CN1CCOC[C@@H]1C(=O)N1CC[C@@H](Nc2nccnc2C#N)C1 1056609365 XQRXTNNEBPPTRH-DGCLKSJQSA-N 316.365 -0.308 30 20 DBED CN(c1ccc(C#N)nc1)[C@H]1CCN(C(=O)Cn2cnnn2)C1 1056849684 LXHSNQMQAKNLMF-ZDUSSCGKSA-N 312.337 -0.323 30 20 DBED C=C[C@](C)(CC)C(=O)NCCN(CCO)C(=O)Cn1cnnn1 1056931325 MJYOWSUXYGDZLK-CQSZACIVSA-N 324.385 -0.788 30 20 DBED C=CCCO[C@@H](C)C(=O)N(CCO)CCNC(=O)c1cn[nH]c1 1057143758 BNFYXRGUFNTHSB-LBPRGKRZSA-N 324.381 -0.058 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)c1cn(C)c(=O)n1C 1057173744 CBAOVDMZIIRICZ-UHFFFAOYSA-N 324.381 -0.759 30 20 DBED Cc1nn[nH]c1C(=O)NCCN(CCO)C(=O)C#CC1CC1 1057537384 BKQROTNDYZRNHE-UHFFFAOYSA-N 305.338 -0.923 30 20 DBED CCn1ccc(C(=O)N(CCO)CCNC(=O)C#CC2CC2)n1 1057570913 XPHQNICXFSJTAO-UHFFFAOYSA-N 318.377 -0.133 30 20 DBED C=CCC(C)(C)C(=O)N(CCO)CCNC(=O)CC(=O)NC 1057601406 MLJXZQNYPXKCRC-UHFFFAOYSA-N 313.398 -0.338 30 20 DBED CC[C@@H]1[C@@H](C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N)CCN1C 1058661183 QMIWSTIYUIRCDY-MELADBBJSA-N 324.425 -0.187 30 20 DBED CCOCCOCC(=O)NCCN(CCO)C(=O)[C@H](C)C#N 1058661382 VCIMRJFTWVKHBF-GFCCVEGCSA-N 315.370 -0.864 30 20 DBED C[C@]1(C(=O)N[C@H]2C[C@H](Nc3cnc(C#N)cn3)C2)CNC(=O)C1 1059355427 PHVARDWYZAAEQN-IQMDTDKHSA-N 314.349 -0.066 30 20 DBED C=CCCC(=O)NC[C@@H]1COCCN1C(=O)Cc1n[nH]c(C)n1 1061405512 DETRKZYIWHJOBC-GFCCVEGCSA-N 321.381 -0.035 30 20 DBED C=CCCC(=O)N1CCOC[C@H]1CNC(=O)[C@@H]1CCNC1=O 1061748285 JNQQBCLRQPCWAJ-VXGBXAGGSA-N 309.366 -0.568 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CN(C(=O)C(C)(C)C(N)=O)CCO1 1065262571 KYKUURWALRMSNU-VHSXEESVSA-N 310.354 -0.999 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCO[C@H](CNC(=O)c2nc[nH]n2)C1 1065278483 KSECEHHUVOIJKV-WDEREUQCSA-N 323.353 -0.647 30 20 DBED COCC1(C(=O)N2CCO[C@@H](CNC(=O)[C@H](C)C#N)C2)CC1 1065340132 FVINLPGGOMMLHQ-NEPJUHHUSA-N 309.366 -0.084 30 20 DBED CC(=O)NC(C)(C)C(=O)NC[C@H]1CN(C(=O)[C@@H](C)C#N)CCO1 1065557262 OODMMHYMCXBXDW-JQWIXIFHSA-N 324.381 -0.596 30 20 DBED C[C@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1N=c1cc[nH]cc1C#N 1067149030 MCADSHWPFFDZST-GWCFXTLKSA-N 312.337 -0.679 30 20 DBED C=CCOCC(=O)N[C@@H]1COC2(C1)CN(C(=O)c1nc[nH]n1)C2 1068763703 AHBXJBLJCZAOGY-JTQLQIEISA-N 321.337 -0.893 30 20 DBED Cc1nonc1C(=O)N1CC2(C[C@H](NC(=O)[C@H](C)C#N)CO2)C1 1069009023 WWVXZUGFESKEDE-SCZZXKLOSA-N 319.321 -0.363 30 20 DBED Cn1cc(C(=O)NCc2cnn3c2CN(CC#N)CC3)nn1 1069859468 WKZOHRPODPCGAT-UHFFFAOYSA-N 300.326 -0.719 30 20 DBED C#CCCCC(=O)N1CCC[C@@H](NC(=O)Cn2ncnn2)C1 1070670696 FDEYZGXMKYQGBW-GFCCVEGCSA-N 304.354 -0.416 30 20 DBED C#CCN[C@@H]1CN(C(=O)Cn2ccnc2)C[C@H]1c1cncn1C 1070723804 RDZIMAAUNMIYPA-ZIAGYGMSSA-N 312.377 -0.166 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)Cc4nc[nH]n4)C[C@@]3(C1)O2 1070878838 FJMURBXTZJSHMK-LALPHHSUSA-N 301.350 -0.718 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)c2cnccn2)CC1 1070933588 USTJDAIZLXTWQS-UHFFFAOYSA-N 301.350 -0.626 30 20 DBED C#CCCN1CCNC(=O)CCN(C(=O)Cc2ccon2)CC1 1070948363 IWVZJPMBRDQDCD-UHFFFAOYSA-N 318.377 -0.109 30 20 DBED C=C[C@](C)(CC)C(=O)N1CCC(=O)NCCN(CC(N)=O)CC1 1070994771 CWWUAPLHYAKIKU-MRXNPFEDSA-N 324.425 -0.276 30 20 DBED C=CCOCC(=O)N1C[C@H](C)[C@@H](NC(=O)CNC(=O)NC)C1 1071804493 CHUYHSQDUGPLIQ-QWRGUYRKSA-N 312.370 -0.919 30 20 DBED C[C@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1NC(=O)C#CC1CC1 1072015087 YKHZIPKYKYGMCN-CMPLNLGQSA-N 301.350 -0.195 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1C 1072522397 SZCIQRKKYPBUPO-GHMZBOCLSA-N 305.338 -0.579 30 20 DBED N#CCN1CCCO[C@H](CNC(=O)[C@H]2CCc3nn[nH]c3C2)C1 1073859303 HALPYRVFPAZLSW-NWDGAFQWSA-N 318.381 -0.360 30 20 DBED Cn1ncc(CCC(=O)N2CC[C@@H]3OCCN(CC#N)[C@@H]3C2)n1 1074339496 VKPQKPCIMCKFSP-KGLIPLIRSA-N 318.381 -0.427 30 20 DBED C=CCOCC(=O)NCC1(O)CCN(C(=O)c2cnon2)CC1 1074687938 DWFHUXSZYYWDOA-UHFFFAOYSA-N 324.337 -0.645 30 20 DBED CC(C)C#CC(=O)NCC[C@H](C)NC(=O)Cn1c(O)nnc1O 1076412571 MEDHYKRAXWDCOI-JTQLQIEISA-N 323.353 -0.640 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)c2cnc(N(C)C)cn2)C1 1076994684 PSCVQIHWRKTGOM-CHWSQXEVSA-N 303.366 -0.659 30 20 DBED C[C@@H](CCNC(=O)CN1CCOCC1=O)NC(=O)C#CC1CC1 1077024117 JDTOZUQHIMZCOC-LBPRGKRZSA-N 321.377 -0.730 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1 1077231491 UBEKYPQZSSJFTF-DBIOUOCHSA-N 324.299 -0.320 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2c[nH]nc2[C@H]2CCOC2)C1 1077456063 VTGPBDKLBOKHBO-CYZMBNFOSA-N 304.350 -0.678 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H](C)CCNC(=O)Cn1cncn1 1078572658 NNGCAANBVPXFTK-NWDGAFQWSA-N 307.354 -0.673 30 20 DBED C#CCCN1C[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)[C@H](C)C1 1080872986 WBSFWMAJDLFRQL-DGCLKSJQSA-N 305.382 -0.650 30 20 DBED C=CCCOCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)COCC)C1 1081223357 MIQMPHJYNMLZCQ-QWHCGFSZSA-N 314.382 -0.449 30 20 DBED C=CCCC(=O)N1C[C@H](CNC(=O)CCn2ccnn2)[C@@H](O)C1 1081437513 YFLZKKKHKVSBTD-STQMWFEESA-N 321.381 -0.430 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@H]2CCCc3nn[nH]c32)[C@H](OC)C1 1082072908 NXPZKLBZWIDZHG-CYZMBNFOSA-N 303.366 -0.327 30 20 DBED C[C@H](O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1c[nH]c(C#N)c1 1083057191 WNEKNZBLNWQAIZ-LEWSCRJBSA-N 304.350 -0.208 30 20 DBED N#CCN1C[C@H]2CC[C@H]1[C@H]1CN(C(=O)Cn3nccn3)C[C@@H]21 1087361653 GQRLTBULRGLRNZ-RFGFWPKPSA-N 300.366 -0.030 30 20 DBED C#CCN1C[C@H]2CC[C@H]1[C@H]1CN(C(=O)CCn3cnnn3)C[C@H]21 1087399668 VUVVYNBWQQRRCI-KBXIAJHMSA-N 314.393 -0.135 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2cc(C(N)=O)co2)[C@H](O)C1 1090566409 LXZXDLJPQPDEOD-VXGBXAGGSA-N 305.334 -0.433 30 20 DBED C=CCN1CC[C@@H](NC(=O)Cn2nnnc2C(C)C)[C@H](O)C1 1090632659 JNVRNXAUZVKNKZ-VXGBXAGGSA-N 308.386 -0.466 30 20 DBED CCCn1nc(C(=O)N[C@H]2CCN(CC#N)C[C@@H]2O)ccc1=O 1090797118 UIDWGVHDKQSASS-AAEUAGOBSA-N 319.365 -0.658 30 20 DBED C#CCNC1CC(CNC(=O)c2nc(O)nc(O)c2OC)C1 1091324936 USTVUHCQALPESJ-UHFFFAOYSA-N 306.322 -0.372 30 20 DBED CC(C)(C(N)=O)C(=O)NCC1CC(N=c2cc[nH]c(C#N)n2)C1 1092243617 NVJFZRVYSIVKAB-UHFFFAOYSA-N 316.365 -0.412 30 20 DBED COC(=O)c1nccc(N2C[C@H]3[C@H](NC(=O)[C@@H](C)C#N)[C@H]3C2)n1 1093236932 LALFQDBOUIOSOD-UXCLJVHYSA-N 315.333 -0.026 30 20 DBED C[C@@H](C#N)C(=O)N1CC(n2cc(CNC[C@@H]3CCOC3)nn2)C1 1093311548 FGIGBWLTYCKFHO-RYUDHWBXSA-N 318.381 -0.053 30 20 DBED C#CCO[C@@H](C)C(=O)NCCN=c1cc[nH]c(C(=O)OC)n1 1093878635 VFFNYVSSFSCHGI-JTQLQIEISA-N 306.322 -0.749 30 20 DBED C#CCCN1CC(N2C[C@@H](NC(=O)[C@H]3CCCO3)CC2=O)C1 1094702406 ZFUONEAQBWXBRF-GXTWGEPZSA-N 305.378 -0.410 30 20 DBED Cc1cc(CC(=O)N[C@H]2CC(=O)N(C3CN(CC#N)C3)C2)no1 1094714605 YPNOUWIBWNRMHD-LBPRGKRZSA-N 317.349 -0.550 30 20 DBED Cc1ccn(C)c1C(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1 1094729989 PFBQKKJPTJUEHU-GFCCVEGCSA-N 315.377 -0.128 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)CN3CC[C@H](C)C3)CC2=O)C1 1094787176 NJUSCXNSBXCNGC-KBPBESRZSA-N 318.421 -0.637 30 20 DBED C[C@@H](CC(N)=O)C(=O)N1CC[C@@H](N(C)c2ccnc(C#N)n2)C1 1095150006 KXTCKLQNPRTCDG-WDEREUQCSA-N 316.365 -0.103 30 20 DBED N#Cc1cnccc1N1CCCN(C(=O)CNC(N)=O)CC1 1095164033 HSQISVVPLCRMDQ-UHFFFAOYSA-N 302.338 -0.340 30 20 DBED Cc1cc(C#N)nc(N[C@@H]2CCCN(C(=O)CNC(N)=O)C2)n1 1095274638 PHQPITPDQGMAQY-SNVBAGLBSA-N 317.353 -0.272 30 20 DBED N#Cc1nccc(N2CCC[C@@H](NC(=O)CCNC(N)=O)C2)n1 1096180398 FDLUERQJENJKIL-SNVBAGLBSA-N 317.353 -0.508 30 20 DBED N#Cc1nccnc1N[C@H](CNC(=O)[C@H]1COC(=O)N1)C1CC1 1096660702 YNQCEGOQWUOILM-GHMZBOCLSA-N 316.321 -0.237 30 20 DBED CS(=O)(=O)CC(=O)N[C@H]1C[C@H](Nc2cnc(C#N)cn2)C1 1096995842 KRCCXDKRZRWMPO-KYZUINATSA-N 309.351 -0.548 30 20 DBED N#Cc1cnc(N[C@H]2C[C@@H](NC(=O)C3(C(N)=O)CC3)C2)cn1 1097248168 AENMPRBGFSFFAH-DTORHVGOSA-N 300.322 -0.327 30 20 DBED CC(=O)NCC(=O)NC[C@@H]1CCCN(c2ccnc(C#N)n2)C1 1097267395 WZJMBQDDYFTLCZ-LBPRGKRZSA-N 316.365 -0.183 30 20 DBED CC#CCCCC(=O)N1CCC(N(CCO)CC(N)=O)CC1 1098455918 LGOMPEYJASFQTA-UHFFFAOYSA-N 309.410 -0.049 30 20 DBED C[C@H]1CN(C(=O)[C@@H]2CCC(=O)N2)CC2(CCN(CC#N)CC2)O1 1098654626 DIZDKVJJGJZXEU-STQMWFEESA-N 320.393 -0.130 30 20 DBED C#CCNCc1cn([C@H]2CCN(C(=O)c3ncccn3)C2)nn1 1098757191 IXOHVUGXMXBGBB-ZDUSSCGKSA-N 311.349 -0.122 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)/C=C\C2CC2)[C@@H](O)C1 1099769180 OFXJZQXSQYBHSE-LAWSMPECSA-N 305.378 -0.747 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)Cc2ccnn2C)[C@H](O)C1 1099794998 VJJMIOGXKHDHNJ-HUUCEWRRSA-N 320.393 -0.836 30 20 DBED C#CCCCC(=O)N[C@@H]1CCN(CC(=O)NC(C)C)C[C@H]1O 1099806613 DIKIMJBZDYKTPZ-ZIAGYGMSSA-N 309.410 -0.134 30 20 DBED CC#CCN1CC[C@@H](NC(=O)COc2cnn(C)c2)[C@@H](O)C1 1099972596 ZCFRMIOZUZTBLW-KGLIPLIRSA-N 306.366 -0.626 30 20 DBED Cc1nc(CC(=O)NCCN(C)c2cnc(C#N)cn2)n[nH]1 1100062901 CZFACVSUZBICDP-UHFFFAOYSA-N 300.326 -0.430 30 20 DBED CC(=O)N1CC(C(=O)NCCN(C)c2nccnc2C#N)C1 1100077772 WHIUTYXBGJOFLX-UHFFFAOYSA-N 302.338 -0.621 30 20 DBED C#CCN1CC[C@H](NC(=O)CNC(=O)c2cccs2)[C@@H](O)C1 1100097013 QCVXVTCMJSQTQL-RYUDHWBXSA-N 321.402 -0.338 30 20 DBED C=CCNC(=O)CNC1CC(CNC(=O)c2nccnc2N)C1 1100199673 VMJJTTMTKRLKFH-UHFFFAOYSA-N 318.381 -0.541 30 20 DBED CCN(CCNC(=O)Cc1n[nH]c(C)n1)c1cncc(C#N)n1 1100524389 WIXUGFWXYSJACK-UHFFFAOYSA-N 314.353 -0.040 30 20 DBED CCN(CCNC(=O)Cn1ncnn1)c1snc(C)c1C#N 1100625136 RVTNLHKHJFUMDC-UHFFFAOYSA-N 320.382 -0.048 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CC(CNC(=O)c2cnn(C)n2)C1 1100756749 MALVAUNTYMAGFP-VOMCLLRMSA-N 318.381 -0.949 30 20 DBED N#Cc1cncc(N2CCC[C@@H]2CNC(=O)Cn2cncn2)n1 1100832920 BQWFKDPPSOJJPF-GFCCVEGCSA-N 312.337 -0.275 30 20 DBED CN1CCO[C@H](C(=O)N(C)CCNc2nccnc2C#N)C1 1101538046 GPBLTNSMJPTYIB-LBPRGKRZSA-N 304.354 -0.451 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CC2(CN(CC(N)=O)C2)n2ccnc21 1101618624 DRRHLQDKIRXGDX-NXEZZACHSA-N 302.338 -0.900 30 20 DBED Cc1cc(=NCCN(C)C(=O)[C@H]2CNC(=O)N2)c(C#N)c[nH]1 1101921187 CQDIMTOXVWGMPD-GFCCVEGCSA-N 302.338 -0.765 30 20 DBED CCC(=O)NCC(=O)N(C)[C@H]1CCN(c2ccc(C#N)nn2)C1 1102701726 HJJCHNRVAKAAMR-LBPRGKRZSA-N 316.365 -0.088 30 20 DBED CCCC(=O)NCC(=O)N(C)[C@@H](C)CN=c1cc[nH]c(C#N)n1 1104492733 KHBJPWUGQLNMPR-NSHDSACASA-N 318.381 -0.055 30 20 DBED CC#CCNCc1cn(C2CN(C(=O)c3cnn(C)n3)C2)nn1 1105344034 IYLUAYXRBUWLJK-UHFFFAOYSA-N 314.353 -0.783 30 20 DBED CN(CCN(C)c1ccncc1C#N)C(=O)CS(C)(=O)=O 1105344456 FKKISIIACIJCRU-UHFFFAOYSA-N 310.379 -0.108 30 20 DBED CC(=O)NCC(=O)NC[C@@H](O)CNc1cccc(F)c1C#N 1105711323 APKJMKSBHWQUDO-JTQLQIEISA-N 308.313 -0.278 30 20 DBED CC(=O)N[C@@H](C)C(=O)NC[C@@H](O)CN=c1cc(C)[nH]cc1C#N 1105735714 YAPLDWSNOBRLIC-GWCFXTLKSA-N 319.365 -0.903 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CN=c1ccc2ncc[nH]c-2n1 1105773499 IOIAMMCJEIEBHM-NXEZZACHSA-N 300.322 -0.553 30 20 DBED Cc1nc2ncnn2c(NC[C@@H](O)CNC(=O)[C@@H](C)C#N)c1C 1105774656 VGMDNPNBQZBYCK-GZMMTYOYSA-N 317.353 -0.210 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H](O)CNC(=O)c1ccc(O)nc1 1105847926 HPFROBFETUZIEI-LBPRGKRZSA-N 313.317 -0.321 30 20 DBED C[C@@H]1CCN(CC(=O)NC[C@H](O)CNc2nccnc2C#N)C1 1106105674 WTGKGQOZTYXPMR-NEPJUHHUSA-N 318.381 -0.421 30 20 DBED C#CCN1CC(n2cc(CNC(=O)Cc3n[nH]c(C)n3)nn2)C1 1107171336 SRVWHTCWZILURR-UHFFFAOYSA-N 314.353 -0.947 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)C(=O)C(C)(C)C)CC2=O)C1 1108524850 DFCDQMZYAOBBET-LLVKDONJSA-N 305.378 -0.364 30 20 DBED COCC#CCN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CNC(=O)OC)C2 1108630459 JPHBKKNYUGGCTK-MJBXVCDLSA-N 323.393 -0.039 30 20 DBED C[C@H](CN(C)c1nccnc1C#N)NC(=O)[C@H](C)CC(N)=O 1109205939 QROGXDCBVSELBE-NXEZZACHSA-N 304.354 -0.199 30 20 DBED CS(=O)(=O)CC(=O)N[C@H]1[C@H]2C[C@H]1N(c1ccc(C#N)nc1)C2 1109692715 CVAUDTJFBANGTR-BHYNMZESSA-N 320.374 -0.309 30 20 DBED CNC(=O)NCC(=O)N[C@@H](CNc1ccc(C#N)nn1)C1CC1 1110004817 ACRISYOQLWFJNW-NSHDSACASA-N 317.353 -0.416 30 20 DBED N#Cc1nc(=NC[C@@H](NC(=O)CC(N)=O)C2CCCC2)cc[nH]1 1110646171 DHUBLTGWSGFLRI-LLVKDONJSA-N 316.365 -0.268 30 20 DBED C#CCO[C@H](C)C(=O)N(C)[C@H]1CN(c2cc(C)ncn2)C[C@@H]1O 1111190881 WMUXKOZSQCFFPS-RDBSUJKOSA-N 318.377 -0.169 30 20 DBED CO[C@@H](C(=O)N(CCO)CCN=c1cc[nH]c(C#N)n1)C(C)C 1111560574 SCEAXSCJOKAXHH-CQSZACIVSA-N 321.381 -0.326 30 20 DBED COCC(=O)NC[C@H]1CN(c2nc(C)cc(C#N)n2)C[C@H]1O 1112692265 LAPRYRGJXRWHSZ-CMPLNLGQSA-N 305.338 -0.784 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)/C=C/c2ccc[nH]2)CC1 1112788043 RBCZWHGXVDDJQA-ONEGZZNKSA-N 301.350 -0.188 30 20 DBED COC[C@@H](C)OC[C@H](O)CN1CCN(C(=O)C#CC2CC2)CC1 1112824933 LVWWQCUJWDTEMT-GDBMZVCRSA-N 324.421 -0.044 30 20 DBED C=CCOCCN1CCN(C(=O)C(=O)NCC(F)F)CC1 1113058620 GACLFVSKJSQUGO-UHFFFAOYSA-N 305.325 -0.286 30 20 DBED Cn1c(C(=O)N2CCN(CC(=O)NCC#N)CC2)cnc1Cl 1113099656 DQJBPCGPVAOOGB-UHFFFAOYSA-N 324.772 -0.529 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)c2coc(OC)n2)CC1 1113160607 GGMOQSOFTJJSSN-LLVKDONJSA-N 320.349 -0.421 30 20 DBED C[C@@H](CNC(=O)c1cnn(C)n1)N(C)c1ccc(C#N)nn1 1113652545 ZTIYQUCDLVDQSD-VIFPVBQESA-N 300.326 -0.269 30 20 DBED C[C@@H](CNC(=O)[C@]1(C)CCNC1=O)N(C)c1cnc(C#N)cn1 1113872121 ISCJVGGUINZSNC-ZUZCIYMTSA-N 316.365 -0.185 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3ccnn3CC)[C@H]2C1 1114174490 UVUJZVZXWSIYKE-JYAVWHMHSA-N 317.393 -0.135 30 20 DBED C[C@H](CC(F)F)C(=O)NC1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]12 1114581820 MOYHUJZWUDZWPB-OPRDCNLKSA-N 314.336 -0.036 30 20 DBED CC(C)[C@]1(CO)CCN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)C1 1118189458 PQEWWNGDPLHZNV-CVEARBPZSA-N 323.393 -0.270 30 20 DBED Cc1cc(C(=O)NC[C@@H](CO)Nc2ccc(C#N)nn2)no1 1121011409 WYMCXTSHBZTCJT-JTQLQIEISA-N 302.294 -0.153 30 20 DBED Cc1cnc(C(=O)NC[C@H](CO)N=c2cc[nH]c(C#N)n2)cn1 1121151347 VXZMPFWNVVKIML-SNVBAGLBSA-N 313.321 -0.929 30 20 DBED Cc1nn(C)cc1C(=O)NC[C@@H](CO)Nc1nccnc1C#N 1121214124 WWRTYZPYBKVBJF-JTQLQIEISA-N 315.337 -0.407 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H](CO)Nc1cncc(C#N)n1 1122034509 BASZVEHZHUKYRF-CMPLNLGQSA-N 303.322 -0.724 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H](CO)CNC(=O)CO[C@@H]1CCOC1 1122068054 AJWJKRQUEIEWEZ-CHWSQXEVSA-N 320.349 -0.930 30 20 DBED N#Cc1cnc(N[C@@H](CO)CNC(=O)c2cnnc(O)c2)cn1 1122158158 IURLYFZJOLCXBA-SNVBAGLBSA-N 315.293 -0.953 30 20 DBED CN(C)CCCC(=O)NC[C@@H](CO)N=c1cc[nH]cc1C#N 1122416620 KFPQSFCJWAUUNZ-ZDUSSCGKSA-N 305.382 -0.394 30 20 DBED CO[C@@H](C(=O)NC[C@H](CO)Nc1nccnc1C#N)C(C)C 1122445338 PKTXYJMFIRCFGH-ZYHUDNBSSA-N 307.354 -0.092 30 20 DBED COCCCNC(=O)[C@@H](C#N)C(=O)[C@@H]1CCCN(C(N)=O)C1 1122708406 VUYWBXVJHJXTEN-MNOVXSKESA-N 310.354 -0.361 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)c1cc[n+]([O-])cc1 1123046288 BXAPPPGEXSHYFL-UHFFFAOYSA-N 318.377 -0.160 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)CCCOC 1124096868 MOPWXAAMZYRVAA-NSHDSACASA-N 314.386 -0.481 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)c1ncccn1 1124453784 HXFCGQLFMAGQLN-JTQLQIEISA-N 313.321 -0.895 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)C1[C@@H]2CCC[C@@H]12 1125353966 DYWKBBFRPUVGJE-GHMZBOCLSA-N 308.382 -0.250 30 20 DBED Cc1cc(C#N)nc(N(C)CCN(C(=O)C(N)=O)C(C)C)n1 1125670627 RHPDPPHSSSJCJW-UHFFFAOYSA-N 304.354 -0.185 30 20 DBED C#CCO[C@@H](C)C(=O)NCCNCc1noc(CCOC)n1 1127046070 LASVWQVNHLWPFQ-NSHDSACASA-N 310.354 -0.497 30 20 DBED CN(C)[C@@H](C(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1)C1CC1 1129043177 LBEUSWHUUBQYRA-HZSPNIEDSA-N 317.397 -0.517 30 20 DBED C=CCOCCNCCNC(=O)[C@@H](Cn1cccn1)N(C)C 1129385307 CYBGRJMVBLLJJL-CQSZACIVSA-N 309.414 -0.278 30 20 DBED C#CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)CN(C)CCC)C1 1129407687 SZOAXNBIGMFKFR-CABCVRRESA-N 318.425 -0.015 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)Cc1cn(C)nc1C 1129601295 XWOMVIPWLZDXRP-LBPRGKRZSA-N 305.382 -0.885 30 20 DBED C#CCN1CCOC[C@H]1c1n[nH]c(CNC(=O)COCC=C)n1 1130834549 BLNZNDCBHAGSMC-LBPRGKRZSA-N 319.365 -0.370 30 20 DBED C#CCNC(=O)CNCCNC(=O)Cn1cnc2c1CCCC2 1131417672 HNKRZTKSSGKJET-UHFFFAOYSA-N 317.393 -0.783 30 20 DBED C#CCCN1CC[C@@]2(C1)CN(C(=O)CNC(=O)NC)C[C@H](C)O2 1131665035 CIJWGGVSNWXHDI-XJKSGUPXSA-N 322.409 -0.370 30 20 DBED C=C(C)CN(CC)C(=O)[C@H](C)NCCNC(=O)C1(C(N)=O)CC1 1133193743 YRXVLMZYPMZBKI-LBPRGKRZSA-N 324.425 -0.229 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)C[C@@H](C)NCC(=O)N1CCC1 1134130259 FJFVKEVXALGWLS-OLZOCXBDSA-N 322.409 -0.769 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)C[C@H](C)NCC(=O)NC1CC1 1134130296 FWJDAACOXAKUMW-RYUDHWBXSA-N 322.409 -0.723 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCN[C@@H](C)C(=O)NC(N)=O 1135145457 IYCUIIABXDOOPH-DCAQKATOSA-N 312.370 -0.743 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)c1cnn(C)n1 1135671818 XTROKSNHNJZMRM-QWRGUYRKSA-N 306.370 -0.949 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)c1ccon1)C2 1147071867 PNSPYVCBIQBILW-UHFFFAOYSA-N 302.334 -0.428 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)Cc1cnn(CC)c1 1147401828 GCECSDVGPMQKJD-LBPRGKRZSA-N 307.398 -0.158 30 20 DBED N#CCN1CCCO[C@@H](CNC(=O)CNC(=O)c2ccoc2)C1 1149752962 LTFKNVCWBXYYDS-ZDUSSCGKSA-N 320.349 -0.260 30 20 DBED N#Cc1cccc(CNCCNC(=O)c2nccnc2C(N)=O)c1 1150450297 HLENARQHLPLSLD-UHFFFAOYSA-N 324.344 -0.033 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)C(=O)NCC(F)(F)F)C1 1150516224 FNAMJKTXRSWYIV-JTQLQIEISA-N 321.299 -0.495 30 20 DBED C=CCNC(=O)CNCCNC(=O)CCNC(=O)CC(C)C 1153605929 VIMLAVPFRISXIR-UHFFFAOYSA-N 312.414 -0.453 30 20 DBED CC#CCN(CC)[C@H](C)CNC(=O)CCNS(C)(=O)=O 1153710243 HUSVHMSKUXTGRF-GFCCVEGCSA-N 303.428 -0.224 30 20 DBED C=CCNC(=O)CN(CC)[C@H](C)CNC(=O)c1cnc(O)n1C 1154602156 UOCGPFYZAIHOST-LLVKDONJSA-N 323.397 -0.132 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)[C@@H]1CCC(=O)N1C 1154682417 LAJWFHAXBRAUCG-NEPJUHHUSA-N 323.397 -0.926 30 20 DBED Cn1c(CNCCCNC(=O)C#CC2CC2)cc(=O)n(C)c1=O 1157711643 UZULERFLGGBTQS-UHFFFAOYSA-N 318.377 -0.907 30 20 DBED C#CCO[C@H](C)C(=O)NCCCNCC(=O)N(CC)CCC#N 1157870178 YBDXIOKXDYAGRD-CQSZACIVSA-N 322.409 -0.117 30 20 DBED C=CCNC(=O)CNCCCNC(=O)c1nnn(C(C)(C)C)n1 1158508319 VULGZTVPIASIMS-UHFFFAOYSA-N 323.401 -0.560 30 20 DBED COCC1(CNC(=O)[C@@H]2CC(=O)N(C)C2)CCN(CC#N)CC1 1162295398 BXUOHVVYFMVACD-CYBMUJFWSA-N 322.409 -0.167 30 20 DBED COCC#CCNCC1(CCNC(=O)[C@H]2COCCO2)CC1 1163515950 RYKJTVFOJMPARM-CQSZACIVSA-N 310.394 -0.072 30 20 DBED C[C@H](C(=O)NCCCNCC(=O)NCC#N)N1CCCCCC1 1167610554 SXVARQZEYVOJCE-CQSZACIVSA-N 323.441 -0.013 30 20 DBED CC(=O)N[C@@](C)(C(=O)NCCCNCC(=O)NCC#N)C1CC1 1170867342 DYLVIWRTGODBBJ-OAHLLOKOSA-N 323.397 -0.973 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)CCc1cnn(C)c1 1176879519 CREVFAQBEHTUDI-ZDUSSCGKSA-N 319.409 -0.414 30 20 DBED C#CCN[C@H]1CCN(C(=O)CNC(=O)C2CCOCC2)[C@H]1C 1179735665 RPUSJRCDWDKUJN-JSGCOSHPSA-N 307.394 -0.259 30 20 DBED CS(=O)(=O)CCN[C@@H]1CCN(C(=O)CSCC#N)C1 1181107218 STSIAQMPKRHYJE-SNVBAGLBSA-N 305.425 -0.522 30 20 DBED C[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@@]1(C)CNCC#N 1181952363 WFNZDQQBYUAFHC-BXUZGUMPSA-N 306.370 -0.820 30 20 DBED C[C@@H](C(=O)NC(N)=O)N1C[C@@H]2CCN(C(=O)C#CC3CC3)[C@@H]2C1 1187832904 DWWPJDLYMYUCGE-WCFLWFBJSA-N 318.377 -0.484 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)Cn2nccn2)C1 1190382559 ZMDYRJBLEUXZKW-GFCCVEGCSA-N 306.370 -0.887 30 20 DBED COCC#CCN(C)[C@H]1CCN(C(=O)CN2CCCNC2=O)C1 1191136959 PVSQHMLYATWZNM-AWEZNQCLSA-N 322.409 -0.416 30 20 DBED CCc1nc(CN2C[C@@H](O)[C@H](NC(=O)C#CC3CC3)C2)no1 1192770309 JCXDNCOVTJUAHH-VXGBXAGGSA-N 304.350 -0.293 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)C(C)(C)CN2CCOCC2)C1 1194075349 MBHVRCXAYYXKAK-ZIAGYGMSSA-N 311.426 -0.308 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)CC(=O)NCC)CC1 1195588179 BHZDCYUTPNZKMF-UHFFFAOYSA-N 310.398 -0.651 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCCN(C(=O)[C@@H]2COC(=O)N2)CC1 1195717397 OLMJRTHSOBDLJM-NEPJUHHUSA-N 324.381 -0.680 30 20 DBED C[C@@H]1OCC[C@]1(C)C(=O)N1CCCN(CC(=O)NCC#N)CC1 1196602599 OJIQUJGWTMBJHQ-BBRMVZONSA-N 322.409 -0.024 30 20 DBED COCC#CCN1CCCN(C(=O)[C@H]2CCC(=O)N2C)CC1 1196896197 ZAPWMRUEAVCZNS-CQSZACIVSA-N 307.394 -0.209 30 20 DBED C#CCCNC1CCN(C(=O)CCS(=O)(=O)NC)CC1 1200540474 CXOYEVGLPOYNDO-UHFFFAOYSA-N 301.412 -0.470 30 20 DBED CS(=O)(=O)CCCC(=O)N1CCCO[C@@H](CNCC#N)C1 1201629652 LDGOSBLLGXMBPE-LBPRGKRZSA-N 317.411 -0.458 30 20 DBED C#CCNC[C@@H]1CN(C(=O)[C@@H](C)CN2CCOCC2)CCCO1 1202071168 XPCYPYKWBGSYGA-JKSUJKDBSA-N 323.437 -0.205 30 20 DBED Cn1cnn(CCC(=O)N[C@@H]2C[C@@H](NCC#N)C23CCC3)c1=O 1203218398 BLXGUHQPXJLPLZ-VXGBXAGGSA-N 318.381 -0.488 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CN(CCN(C)S(C)(=O)=O)C[C@H]1C 1206660048 VELTVVAZRPENTF-QJPTWQEYSA-N 316.427 -0.526 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)CN(C)CCC)[C@H](C)C1 1210528936 NPPRTCNRJMQFDG-RBSFLKMASA-N 322.453 -0.097 30 20 DBED CCN(CC)C(=O)CN1C[C@@H](NC(=O)[C@H](C)C#N)[C@H](OC)C1 1212038984 CGGKOSNUCBMFQX-JHJVBQTASA-N 310.398 -0.170 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)c2cncs2)C[C@H]1C 1214230909 KMWGBPGWJTZYTC-GHMZBOCLSA-N 306.391 -0.057 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@@]23COC[C@@H]2C3)C[C@H]1C 1214667882 GDKSUGAPPIWGLB-IATRGZMQSA-N 307.394 -0.238 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)C2CC(=O)NC(=O)C2)C[C@H]1C 1215903734 AOFXVCUCXSKDBT-DGCLKSJQSA-N 321.377 -0.875 30 20 DBED CCC[C@@H](C)CC(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@@H]1O 1219340402 CKNLLHMZQXASNS-UPJWGTAASA-N 310.398 -0.386 30 20 DBED C/C=C(\C)C(=O)N[C@@H]1CN(CC(=O)N(CC)CCC#N)C[C@@H]1O 1219434857 PGMRZLRBFQTJHN-UEELJDNFSA-N 322.409 -0.124 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(CCCCCF)C[C@@H]1O 1219487025 BRFZPMGNUJISAJ-OLZOCXBDSA-N 313.373 -0.573 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)C2(C(F)F)CC2)C1 1219632732 IYNGPCJOCYIXFR-MNOVXSKESA-N 302.321 -0.157 30 20 DBED C#CCCCCCC(=O)N[C@@H]1CN(CC(=O)NCC#C)C[C@@H]1O 1220146462 HGLOLJHJCGQAGA-CABCVRRESA-N 319.405 -0.519 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@H](C)CC(=C)C)C1 1220201195 IVXDINZOHLZVMB-MCIONIFRSA-N 307.394 -0.501 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C(C2CC2)C2CC2)C1 1220722539 FIRFSHWCLFTWSZ-KGLIPLIRSA-N 319.405 -0.667 30 20 DBED C=CCC[C@H](C)N1C[C@H](O)[C@H](NC(=O)CN2C(=O)CCC2=O)C1 1220934455 ZXEMOHQHRQHSKA-XQQFMLRXSA-N 323.393 -0.349 30 20 DBED C=CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3cnns3)[C@@H]2C1 1221307216 KAVMXKMAEIGJLQ-GHMZBOCLSA-N 321.406 -0.013 30 20 DBED CNC(=O)NC(=O)CN1CCC(CNC(=O)C#CC(C)C)CC1 1223114979 ZVCSJJIYVUERNG-UHFFFAOYSA-N 322.409 -0.070 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC(NC(=O)[C@H]2COCCO2)CC1 1226127806 HZNFZQFPQUTSCC-TZMCWYRMSA-N 323.393 -0.880 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)[C@H]2C[C@@H]2C(=O)OC)CC1 1226471541 PRJSUHDEBXPMMW-STQMWFEESA-N 321.377 -0.875 30 20 DBED N#CCNC(=O)CN1CCC(NC(=O)c2cncnc2O)CC1 1227929694 JSCMNQHXSQWJEE-UHFFFAOYSA-N 318.337 -0.984 30 20 DBED Cc1n[nH]cc1C(=O)NC1CCN(CC(=O)NCC#N)CC1 1228525731 FOWISTQZZBLVSW-UHFFFAOYSA-N 304.354 -0.448 30 20 DBED C#CCN1CCS(=O)(=O)[C@H](CCNC(=O)c2c[nH]nc2C)C1 1230480553 DHMWUGBEOAGOGD-GFCCVEGCSA-N 324.406 -0.430 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)C[C@H]1COC(=O)C1 1233653443 LMSFCFSLFMBZNG-OLZOCXBDSA-N 321.377 -0.778 30 20 DBED CN(C[C@@H]1CCN1CC(=O)N1CCOCC1)C(=O)C#CC1CC1 1234179184 TVVDLVPGZKDSPD-HNNXBMFYSA-N 319.405 -0.209 30 20 DBED CN(C[C@H]1CCC[C@H]1O)C(=O)C(=O)NC1CCN(CC#N)CC1 1322621534 IPUOVPRFIHCGJW-TZMCWYRMSA-N 322.409 -0.290 30 20 DBED C#CCOCCNC(=O)C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 1323261884 WXWHDWGZBOVVKZ-UPJWGTAASA-N 306.362 -0.174 30 20 DBED C#CCSCCNC(=O)C(=O)N[C@H](C)CS(C)(=O)=O 1323329095 GDRVGNJYDSCPOA-SECBINFHSA-N 306.409 -0.982 30 20 DBED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NCCO)n1 1323934670 URGRRRQWTPZNEZ-UHFFFAOYSA-N 300.278 -0.814 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)NC[C@H]2CSCCS2)CCO1 1324694531 MFVIXLDSQJAKTH-UWVGGRQHSA-N 315.420 -0.298 30 20 DBED COC(=O)[C@@H]1CCN(C(=O)C(=O)N2CC[C@](F)(C#N)C2)[C@H]1C 1325460495 RQZSXTCYUGZMGN-RBZYPMLTSA-N 311.313 -0.139 30 20 DBED C[C@H]1[C@@H](C)N(C(=O)C(=O)N2CC[C@@](F)(C#N)C2)CC[S@@]1=O 1325834123 YERXTQYTDSFXHD-UQGZZDPPSA-N 315.370 -0.182 30 20 DBED Cn1ncc(C(=O)N[C@@H]2CCCN(O)C2=O)c1-n1cnnc1 1327111738 DGWZEERPZTVVNJ-SECBINFHSA-N 305.298 -0.889 30 20 DBED C=CCNC(=O)Cn1nnnc1N1CCO[C@H](C(F)F)C1 1337176485 WQVQCIJAUWFFNN-QMMMGPOBSA-N 302.285 -0.554 30 20 DBED C#CCN(C(=O)C(=O)N1CCC[C@@H](CNC(N)=O)C1)C(C)C 1338206000 FLRXOXSANQMJKN-LBPRGKRZSA-N 308.382 -0.237 30 20 DBED C#CCOCCNC(=O)C(=O)NCc1ccc(C(N)=O)cc1 1346542816 HZMGVGZKMNTCRC-UHFFFAOYSA-N 303.318 -0.832 30 20 DBED C[C@@H]1[C@H](NC(=O)NCCn2cnc(C#N)n2)CCS1(=O)=O 1365383519 BTMOIEUEJVSZKD-RKDXNWHRSA-N 312.355 -0.975 30 20 DBED C=C(Cl)CN1CC[C@H](NC(=O)CN(C)S(C)(=O)=O)C1 1367006427 KSPHPGWNILMWNI-JTQLQIEISA-N 309.819 -0.179 30 20 DBED CC[C@@H](OC)C(=O)NC1CN(CC(=O)N(CC)CCC#N)C1 1373415801 PEHMAANOGDYAQL-CYBMUJFWSA-N 310.398 -0.026 30 20 DBED CNC(=O)NCC(=O)NC[C@H](C)NC(=O)c1cc(C#N)c[nH]1 1377518841 GQHBPKPNFYAYEN-QMMMGPOBSA-N 306.326 -0.950 30 20 DBED C[C@H](C#N)C(=O)NCCN(C)C(=O)c1ccc2nnc(O)n2c1 1387083518 VHBOTBNBQIKXBB-SECBINFHSA-N 316.321 -0.217 30 20 DBED CCS(=O)(=O)CC(=O)N(C)C[C@@H](C)NC(=O)[C@H](C)C#N 1395601501 NVLZVOJDNBGBBG-NXEZZACHSA-N 303.384 -0.456 30 20 DBED CC(=O)NCC(=O)N1C[C@H](NC(=O)c2cc(C#N)c[nH]2)C[C@@H]1C 1395874722 XPEGBECMCOFOSW-JOYOIKCWSA-N 317.349 -0.258 30 20 DBED CCN(CCNC(=O)[C@H](C)C#N)C(=O)CCS(=O)(=O)NC 1398132394 FFDTXNSUXYZPJE-SNVBAGLBSA-N 318.399 -0.950 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1cncnc1C1CC1 1410142413 HFVYWXARIQOPCO-GXSJLCMTSA-N 317.349 -0.279 30 20 DBED CCc1c(C(=O)NC[C@H](O)CNC(=O)[C@H](C)C#N)ccn1C 1416783692 YTFNWCXETCYDFY-GHMZBOCLSA-N 306.366 -0.046 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](C)CNCC(=O)NC(=O)NC1CC1 1419461588 YOGMZCGTSVBLFJ-ZJUUUORDSA-N 309.370 -0.524 30 20 DBED C[C@H](CNCc1nnc2n1CCOC2)CNC(=O)[C@H](C)C#N 1421673824 IHODHPWOVKOZPO-GHMZBOCLSA-N 306.370 -0.190 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@H](NCC(=O)NC[C@@H]2CCCO2)C1 1436885543 JCMMTQSCNZIVIG-CYDGBPFRSA-N 308.382 -0.322 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1cc(Cl)no1 1452402338 CEBUAHJPCRTZFB-RNFRBKRXSA-N 300.702 -0.305 30 20 DBED CCN(CCNC(=O)CNC(C)=O)C(=O)c1c[nH]c(C#N)c1 1455499777 OUBUOJRARLGGAY-UHFFFAOYSA-N 305.338 -0.399 30 20 DBED C[C@@H](C#N)C(=O)NC1CN(C(=O)[C@H]2CCn3cncc3C2)C1 1456401415 YTZTUTRIOSWDFD-QWRGUYRKSA-N 301.350 -0.068 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)CCn2cnnn2)CCCC1 1457029097 CWJRMAUHLDKVKK-NSHDSACASA-N 319.369 -0.232 30 20 DBED CC(=O)N(C)CC(=O)NC[C@@H](C)N(C)C(=O)c1cc(C#N)c[nH]1 1486807221 SUMOVLAVNAZMFD-SNVBAGLBSA-N 319.365 -0.059 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H]1CNC(=O)CNC(=O)C1CC1 1497029637 POMAYOSMSRSLOC-JQWIXIFHSA-N 306.366 -0.221 30 20 DBED C=CCn1c(C[C@@H](C)O)nnc1N1CCO[C@@H](C(=O)NC)C1 1520355981 RFZDHUPNAUQQFH-GHMZBOCLSA-N 309.370 -0.661 30 20 DBED CCCNC(=O)NC(C)(C)C(=O)NC1CN(C(=O)[C@H](C)C#N)C1 1530491808 KAQFGMLLBZDRBF-SNVBAGLBSA-N 323.397 -0.039 30 20 DBED C#CCNC(=O)CNC[C@H]1CCCCN1C(=O)c1ncc[nH]1 1570083902 WUFKUIOJESMZNN-GFCCVEGCSA-N 303.366 -0.257 30 20 DBED N#C[C@@H]1CNCCN1C(=O)c1ccnc(N2CCOCC2)n1 1580045886 YBNJAJZTSGNGBE-LLVKDONJSA-N 302.338 -0.749 30 20 DBED C#CCN(CC(=O)O)c1nnc([C@](C)(O)c2ccncc2)n1C 1588426931 HHNYJVVHJCMZNS-OAHLLOKOSA-N 315.333 -0.010 30 20 DBED C=CCO[C@H]1CCN(C(=O)Cn2cnc(-c3nn[nH]n3)n2)C1 1588665245 ICTIKNMHVTVNBN-VIFPVBQESA-N 304.314 -0.738 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N1C[C@@H](C(=O)O)O[C@H](C)C1 1589330895 UISZLHGBAGBSNV-BBBLOLIVSA-N 305.356 -0.503 30 20 DBED C[C@@H](C(=O)NCC(=O)O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 1589396794 MJPRBZUUTMPBGA-CMPLNLGQSA-N 318.333 -0.004 30 20 DBED CC(C)NC(=O)CCNc1cnc(-c2nn[nH]n2)c(C#N)n1 1589719566 IJAYUHSNGXHSOL-UHFFFAOYSA-N 301.314 -0.145 30 20 DBED N#CC[C@]1(O)CCN(C(=O)NC2CCN(CC(=O)O)CC2)C1 1594606638 YJMJZKJIEDQGAH-AWEZNQCLSA-N 310.354 -0.405 30 20 DBED COC[C@@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)C(=O)O 1599169641 ZZXTVHQQXYCRHY-LLVKDONJSA-N 305.290 -0.496 30 20 DBED N#Cc1cc(C(=O)NCC2CN(C(=O)[C@@H]3C[C@@H]3C(=O)O)C2)c[nH]1 1601085538 BRAOCTLYMOVATD-NEPJUHHUSA-N 316.317 -0.205 30 20 DBED C=CCn1cc(C(=O)N2C[C@@H](C(=O)O)[C@@H](C(=O)OC)C2)nn1 1602938243 ZIEDCBGDIDBWBG-BDAKNGLRSA-N 308.294 -0.590 30 20 DBED Cn1c(=O)[nH]c(N2C[C@H]3CC[C@H]2[C@@H](C(=O)O)C3)c(C#N)c1=O 1608075383 AZNKSZPAAODGKI-NRPADANISA-N 304.306 -0.365 30 20 DBED CN(CCCNC(=O)c1ccc(C#N)[nH]1)Cc1nc(=O)n(C)[nH]1 1751962626 JTKVNIDFPSNVJE-UHFFFAOYSA-N 317.353 -0.440 30 20 DBED C#CCOCCC(=O)N(C)CCNCc1nnc2n1CCOC2 1753187985 DRZDMGLBMNEYIY-UHFFFAOYSA-N 321.381 -0.604 30 20 DBED C#CCO[C@@H](C)C(=O)NCC[C@@H]1CCN(CC(=O)NCC#N)C1 1753327822 JHMCLAVILBVEQM-UONOGXRCSA-N 320.393 -0.507 30 20 DBED C#CCNC(=O)CN1CC(NC(=O)c2csc(Cl)n2)C1 1753391607 YDDVMHBGZAIBLT-UHFFFAOYSA-N 312.782 -0.040 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@H](NC(=O)[C@H](CC)N(C)C)C1 1753428658 MQXFBAQFSZHLPG-IHRRRGAJSA-N 308.426 -0.345 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@@](C)(NC(=O)CNC(C)=O)C1CC1 1753512621 YUYPQUDUFCVEPM-BDJLRTHQSA-N 322.409 -0.865 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@@H](C)NC(=O)CCc1ccn(C)n1 1754227651 JJVNQIHUCISOBU-CHWSQXEVSA-N 319.409 -0.415 30 20 DBED COCC#CCN1CC(N(C)C(=O)c2cnc(OC)nc2)C1 1754584634 GKONSAXMKSFTEM-UHFFFAOYSA-N 304.350 -0.109 30 20 DBED CN(CCCN(C)C(=O)c1ccc(O)nn1)CC(=O)NCC#N 1755032720 BRDUULTXPCJTCN-UHFFFAOYSA-N 320.353 -0.784 30 20 DBED C#CCCNCC1(NC(=O)[C@@H](C)S(C)(=O)=O)CCOCC1 1755095252 BAUVISHDXBPLPL-GFCCVEGCSA-N 316.423 -0.302 30 20 DBED C=CCNC(=O)CN[C@H](C)[C@@H](C)NC(=O)c1ccnc(OC)n1 1755244664 SROMECMJRMGLSS-GHMZBOCLSA-N 321.381 -0.116 30 20 DBED C[C@H](CNC(=O)CCc1ccncn1)N(C)CC(=O)NCC#N 1755301643 PJYIGDNBVKQEJI-GFCCVEGCSA-N 318.381 -0.515 30 20 DBED C[C@@H]1C[C@@H](NCCS(C)(=O)=O)CN1C(=O)CSCC#N 1755668686 GPFRYGGJOAWVKN-GHMZBOCLSA-N 319.452 -0.133 30 20 DBED C=CCOCCN1CC[C@@]2(NC(=O)Cn3ncnn3)CCC[C@H]12 1755703310 WTKRCWVAJHTBRT-ZFWWWQNUSA-N 320.397 -0.011 30 20 DBED C=C(C)CN(C)C[C@H](O)CN(C)C(=O)c1cn(C)c(=O)nc1O 1755808469 XAAWEOBMPYFQLK-NSHDSACASA-N 324.381 -0.573 30 20 DBED C=CCOCC(=O)N1CCC[C@@H]1CN(C)C(=O)Cn1ncnn1 1755911185 ZOUYMAGJFNLUKQ-GFCCVEGCSA-N 322.369 -0.675 30 20 DBED COC(=O)NCC(=O)N1C[C@H]2C(CNC(=O)C#CC3CC3)[C@@H]2C1 1756198265 PJSIIVOTSCYIJB-STQMWFEESA-N 319.361 -0.424 30 20 DBED C#CCOCCC(=O)N[C@@H](CO)CNC(=O)c1cnc(C)cn1 1756502764 SRKODXQQNSUNRT-GFCCVEGCSA-N 320.349 -0.968 30 20 DBED C=CCn1cc(C(=O)NC[C@H](CO)NC(=O)[C@@H](F)CC)nn1 1756522480 KLPOROMCNMPPFC-ZJUUUORDSA-N 313.333 -0.581 30 20 DBED C=C[C@](C)(O)CC(=O)N(C)C[C@H](O)CNC(=O)Cc1ncc[nH]1 1756661302 WMQSQPHKJWMUEL-ABAIWWIYSA-N 324.381 -0.785 30 20 DBED C#CCCCC(=O)N(CC)[C@H](C)CNC(=O)c1nnn(C)n1 1756859367 MVBZRZUHPIAFSI-LLVKDONJSA-N 306.370 -0.020 30 20 DBED C=CCCC(=O)N[C@@H]1CN(C(=O)CCn2ccnc2)C[C@H]1O 1756984569 COKLZAYXWOCLRY-CHWSQXEVSA-N 306.366 -0.073 30 20 DBED N#Cc1cncc(S(=O)(=O)NC(=O)[C@@H]2CCNC(=O)C2)c1 1771715754 XIYWEWPFITXPIO-SECBINFHSA-N 308.319 -0.716 30 20 DBED CC(=O)O[C@H]1CCN(S(=O)(=O)N[C@H](CCC#N)C(=O)O)C1 1776208729 BIJMEHLTLYZSAK-VHSXEESVSA-N 319.339 -0.785 30 20 DBED C[C@H](CN)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1CC1 1793256787 NQOMCBQVSOEBBD-OEYIWLLWSA-N 319.405 -0.416 30 20 DBED C#CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](C)NC=O)CC2 1825022277 CQTUEKQMKMWZPW-BDAKNGLRSA-N 320.374 -0.177 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)CNC(N)=O)C2 1841612562 BRXDXVKTTZNYMC-NSHDSACASA-N 324.381 -0.551 30 20 DBED C=CCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1CC(=O)NC1=O 1848071255 QKDMBOGMWVWUNP-QWRGUYRKSA-N 320.349 -0.684 30 20 DBED C#Cc1cccc(NC(=O)C(=O)N2CCS(=O)(=O)CC2)c1 122291955 FGFNBTVZNDERQR-UHFFFAOYSA-N 306.343 -0.137 30 20 DBED Cn1c(N2CCO[C@@H]([C@@H]3CCCO3)C2)c(C#N)c(=O)n(C)c1=O 128872154 YNSWUYNADKUTDM-NWDGAFQWSA-N 320.349 -0.660 30 20 DBED C=CCN(C(=O)C1CN(C(C)=O)C1)[C@H]1CCS(=O)(=O)C1 191102000 IIDHENZAMAAEPY-LBPRGKRZSA-N 300.380 -0.334 30 20 DBED C#CCNS(=O)(=O)c1ccc(C(=O)NC2(C(=O)O)CC2)cc1 263169806 RFURIAHGBPSKTJ-UHFFFAOYSA-N 322.342 -0.055 30 20 DBED C=CCN1CCC(NC(=O)C(=O)N2CC[C@H](C)[C@@H]2CO)CC1 286692401 PLRLFKMVUBFIIJ-JSGCOSHPSA-N 309.410 -0.018 30 20 DBED C#CCCN1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 299578012 CPHXSPDCIQQDAH-UHFFFAOYSA-N 318.333 -0.076 30 20 DBED CCN(C[C@H](C)C#N)C(=O)CN1CC[C@H](S(N)(=O)=O)C1 330471459 NUZOVJUZDWULRE-MNOVXSKESA-N 302.400 -0.643 30 20 DBED CNS(=O)(=O)CC/N=C(/O)N1CCC[C@H]1CC(=O)OC 331268912 SNHUSALRNKDEMS-VIFPVBQESA-N 307.372 -0.523 30 20 DBED CC(C)(CO)CCCNS(=O)(=O)N1CCO[C@H](C#N)C1 337068175 MFBMZCMLAPHFDG-LLVKDONJSA-N 305.400 -0.156 30 20 DBED CNC(=O)N[C@H]1CCN(CC(=O)N(CCC#N)CCC#N)C1 342377510 QHHUVEBAZNSYSF-LBPRGKRZSA-N 306.370 -0.354 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)Cc2cc(C)on2)CC1 357822820 JBODEPKFIAJCQC-UHFFFAOYSA-N 306.366 -0.028 30 20 DBED Cc1cccc(OC[C@@H](O)CNC(=O)NCC(=O)NCC#N)c1 358303633 YNWDYMZFHFULAZ-LBPRGKRZSA-N 320.349 -0.326 30 20 DBED Cc1cccc(NC(=O)C(=O)N2C[C@H](O)C[C@@H]2CO)c1C#N 372653065 NNGDOMPYVLUCDY-GHMZBOCLSA-N 303.318 -0.241 30 20 DBED N#C[C@H]1CC[C@H](N2CCN(C(=O)C(=O)N3CCOCC3)CC2)C1 407986627 ATGCTOSCXZSXTN-KBPBESRZSA-N 320.393 -0.318 30 20 DBED CN1CCOC[C@@H]1C(=O)N1CCN(c2ncccc2C#N)CC1 408029810 JIPCWSCQRHAFIG-CQSZACIVSA-N 315.377 -0.068 30 20 DBED CN1C(=O)C(=O)N(CC(=O)N(C)c2ccc(C#N)cc2)C1=O 440062269 NKGVGMBLMQHSFY-UHFFFAOYSA-N 300.274 -0.058 30 20 DBED C#CCNC(=O)CCNC[C@H](O)C(=O)OCc1ccccc1 491677769 ZRGLPLBWGDJDTE-AWEZNQCLSA-N 304.346 -0.180 30 20 DBED N#Cc1ccc(N2C(=O)C[C@H](NCCn3ncnn3)C2=O)cc1 563350522 XOQNKZGUVWRRQV-LBPRGKRZSA-N 311.305 -0.534 30 20 DBED CC[C@]1(C)NC(=O)N(CC(=O)N[C@@](C)(C#N)CN(C)C)C1=O 564088848 DPGKBWAKBZBJRK-KBPBESRZSA-N 309.370 -0.333 30 20 DBED CC1CCN(C[C@@H](O)CNC[C@H](O)CN(C)CCC#N)CC1 583564856 IAOUWSDWVYNASX-HOTGVXAUSA-N 312.458 -0.125 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 595262376 GEPFRXLNUZDLHN-RFGFWPKPSA-N 322.409 -0.079 30 20 DBED N#Cc1ccc(CN2CC[C@@H](NC(=O)[C@@H]3CC(=O)N3)C2=O)cc1 597563175 RBVRUMPUVFBHDY-OLZOCXBDSA-N 312.329 -0.336 30 20 DBED N#Cc1cc(NC(=O)C(=O)N2CCO[C@H](C(=O)O)C2)ccc1F 739098920 LOZLRYYRYODOGC-NSHDSACASA-N 321.264 -0.052 30 20 DBED C#CCNC(=O)CN1CCC(n2cc(C(=O)OC)nn2)CC1 759889049 IXIHMGIJIHGTBC-UHFFFAOYSA-N 305.338 -0.549 30 20 DBED C[C@H](O)c1cn(CC(=O)NCCNc2ccc(C#N)cn2)nn1 763026120 WYEKTSOMAXENJU-JTQLQIEISA-N 315.337 -0.174 30 20 DBED C#C[C@@H](NC(=O)NCCN1CCCS1(=O)=O)[C@@H]1CCCO1 773258062 BGYPZRAAZZHGPJ-NEPJUHHUSA-N 315.395 -0.498 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C)[C@H]1CCCO1 774249957 NUNKOKODBOXNSL-CBBWQLFWSA-N 319.405 -0.022 30 20 DBED CCN(CC)c1ccnc(NN=C2C(=O)NC(=O)NC2=O)n1 814223408 HFPNRRRQMJHGBZ-UHFFFAOYSA-N 305.298 -0.543 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@](C)(C#N)CC(=O)O 819720346 XDTVHHBXVNXGKT-OQPBUACISA-N 311.294 -0.066 30 20 DBED C=CCNC(=O)CNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 823919952 UHJZNMGHAAIEOW-UHFFFAOYSA-N 304.270 -0.116 30 20 DBED C#CC[C@@H](NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1)C(=O)OC 837941098 CPOKBSBMFAYWQI-NWDGAFQWSA-N 309.366 -0.922 30 20 DBED C#CCCN1CCC(NC(=O)[C@H]2CCN(C)S2(=O)=O)CC1 843803638 QWQXRTIJWWEETD-CYBMUJFWSA-N 313.423 -0.376 30 20 DBED C#CCCN1CCN(C(=O)c2ccc(-n3cnnn3)cn2)CC1 847415950 GDSUUIAGKWTJDB-UHFFFAOYSA-N 311.349 -0.162 30 20 DBED O=C(N[C@H]1CCCN(O)C1=O)c1cnc2nc(O)nc(O)c2c1 848139549 YJDAIYOKBXOEGL-QMMMGPOBSA-N 319.277 -0.454 30 20 DBED C#CCN(C)C(=O)C(=O)N1C[C@H](C(=O)OCC)C2(COC2)C1 873011613 ATDDEKYYMJGFHN-LLVKDONJSA-N 308.334 -0.884 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCCC(C)(C)N)C1=O 885205313 ZEYQGKPNOFDRCP-NSHDSACASA-N 310.398 -0.525 30 20 DBED CNS(=O)(=O)c1csc(C(=O)NCC#CCN(C)C)c1 913519462 BBNGVBSVZYQQPR-UHFFFAOYSA-N 315.420 -0.049 30 20 DBED C=CCN(CC(=O)OCC)C(=O)CN1CCS(=O)(=O)CC1 921296283 DERGNZAXLVGNOU-UHFFFAOYSA-N 318.395 -0.706 30 20 DBED NC(=O)[C@@H]1CC[C@H](C(=O)N[C@H]2CCN(C(=O)C#CC3CC3)C2)O1 938812685 PDRXOFNZTIINHR-RWMBFGLXSA-N 319.361 -0.850 30 20 DBED C[C@@H](C#N)C(=O)N1CCCN(C(=O)C[C@@H]2CCNC2=O)CC1 941287137 ASDPAADTLKDISN-RYUDHWBXSA-N 306.366 -0.267 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H]1CNC(=O)c1cc(=O)n(C)o1 944249920 SWTUDFMTSIUPIW-NXEZZACHSA-N 306.322 -0.141 30 20 DBED Cn1nncc1C(=O)NC[C@H]1CN(C(=O)C#CC2CC2)CCO1 944579301 JYVFCGFJPQZZSC-LBPRGKRZSA-N 317.349 -0.814 30 20 DBED C=C(C)CN1CCC2(CC1)CN(C(=O)Cn1ncnn1)CCO2 949092328 USMKQUWCLHMMLG-UHFFFAOYSA-N 320.397 -0.057 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@]2(CCN(C(=O)Cn3cncn3)C2)C1 953210101 FPWSJKPRJSDBMM-WFASDCNBSA-N 316.365 -0.111 30 20 DBED C#CCCN1C[C@H](O)[C@H](CNC(=O)c2ccc(C(N)=O)cc2)C1 958661471 KTZYKIZXGGAYPA-CABCVRRESA-N 315.373 -0.169 30 20 DBED C=CCCN1C[C@@H](O)[C@H](CNC(=O)c2ccc(C(N)=O)nc2)C1 958749272 WDKUVYZYIMWTIO-TZMCWYRMSA-N 318.377 -0.221 30 20 DBED Cc1nn[nH]c1C(=O)N1CCO[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]21 960725593 PUELDTQBUQUDQM-DVVUODLYSA-N 318.337 -0.675 30 20 DBED N#Cc1c[nH]c(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@@H]3CCCO3)C2)c1 961387599 JUSAFDWSTXUSBI-AGIUHOORSA-N 318.333 -0.633 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CN(C(=O)c3cncnc3O)C[C@H]2C1 961798041 XENKLUFYMYXOJV-MXWKQRLJSA-N 315.333 -0.128 30 20 DBED CC#CCN1C[C@@H]2C(NC(=O)c3nc(O)nc(O)c3OC)[C@H]2C1 962283678 WOVKMMLUPOJUOF-IUCAKERBSA-N 318.333 -0.420 30 20 DBED C#CCCN1C[C@H]2[C@H](NC(=O)Cc3nc4ncccn4n3)[C@H]2C1 962562364 YXONNJZPOYVWTL-JYAVWHMHSA-N 310.361 -0.264 30 20 DBED C=C(C)CN1C[C@H]2[C@H](NC(=O)[C@@H]3COCCN3C(C)=O)[C@H]2C1 962614147 HBTXFNJRKANICX-LJISPDSOSA-N 307.394 -0.144 30 20 DBED C#CCNC1CCC(N(C)C(=O)CN2CC(=O)N(C)C2=O)CC1 964184342 AATGEZHRAWELBC-UHFFFAOYSA-N 320.393 -0.127 30 20 DBED C#CCNC1CC2(C1)CC(NC(=O)c1nccnc1C(N)=O)C2 965903045 DNTGSOWEOYEABG-UHFFFAOYSA-N 313.361 -0.161 30 20 DBED C#CCN1CC([C@H](C)NC(=O)[C@@H]2CC(=O)N(CCOC)C2)C1 969789785 RPULVTDJDUCJED-QWHCGFSZSA-N 307.394 -0.449 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 973550792 CWTZOAYGVQWSJV-PTEOKISQSA-N 321.377 -0.538 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2cnnn2C)C1 974083170 PFFJIUBCUHRPDK-XZUYRWCXSA-N 319.365 -0.217 30 20 DBED C=C[C@@](C)(CC)C(=O)N1C[C@H]2[C@H](NC(=O)Cn3cnnn3)[C@H]2C1 976141041 JDOZDYHXVVCZBV-MDHDOXDCSA-N 318.381 -0.152 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)CC(N)=O 978419417 BOOMNAMDYGWQMP-UTUOFQBUSA-N 309.366 -0.488 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2C[C@H](CNC(=O)c3cnn[nH]3)C2)[nH]1 980025993 CSCWMIMWPHWQDO-CZMCAQCFSA-N 313.321 -0.057 30 20 DBED C#CCN[C@H]1CCN(C(=O)Cc2c(C)nc(O)nc2O)[C@H]1C 987238376 RTDWBEZHNDOQAU-JQWIXIFHSA-N 304.350 -0.049 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCN(C(=O)COC)[C@@H]2C)nn1 988059938 AAAZXTUFZCIRIJ-MNOVXSKESA-N 307.354 -0.170 30 20 DBED C=CCn1cc(C(=O)NC2CN(C(=O)C3CCOCC3)C2)nn1 991674400 WPQWYAOEPFKGFA-UHFFFAOYSA-N 319.365 -0.169 30 20 DBED Cn1c(O)ncc(C(=O)N2C[C@H](NCC#N)C(C)(C)C2)c1=O 996123192 YMBMSMQMSMOTCU-JTQLQIEISA-N 305.338 -0.550 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)c3nnn(C)n3)C2)cc1 997338174 WHSXCIPKCGTUEA-UHFFFAOYSA-N 310.317 -0.554 30 20 DBED C[C@@]1(C(=O)NC2CN(C(=O)c3cc(C#N)c[nH]3)C2)CCC(=O)N1 999145420 PVXSRTBHYZTZGF-HNNXBMFYSA-N 315.333 -0.504 30 20 DBED C=C(Cl)CN[C@@H]1CCCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 999397047 JVAXMATZVCLWMW-ZJUUUORDSA-N 314.773 -0.082 30 20 DBED CC[C@H]1CCCN1C(=O)C(=O)NC1CN(C(=O)[C@@H](C)C#N)C1 999716995 DSROZNJTCZQCRS-JQWIXIFHSA-N 306.366 -0.126 30 20 DBED CCc1c(C(=O)NC2CN(C(=O)[C@H](C)C#N)C2)nnn1CC 999782617 FWNWAVYYUPNBPF-SECBINFHSA-N 304.354 -0.039 30 20 DBED C#CCN[C@@H]1CCCN(C(=O)[C@H]2C[C@H](OC)CN2C(C)=O)C1 999800514 PPUSKLMJGMETBU-QLFBSQMISA-N 307.394 -0.164 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H]1CN(C)C(=O)c1c[nH]c(=O)cn1 1002918460 ALAWRZFRFMEFJC-QWRGUYRKSA-N 317.349 -0.007 30 20 DBED C[C@@H](NC(=O)[C@H]1C[C@H]1C(N)=O)C1CN(C(=O)C#CC2CC2)C1 1006894584 WPKMWBVYQXRKQX-WQAKAFBOSA-N 303.362 -0.516 30 20 DBED C=C(Br)CN1CC[C@H](NC(=O)Cn2ncnn2)C1 1014424479 BVMANSBTQVBTMA-VIFPVBQESA-N 315.175 -0.228 30 20 DBED C=CCN1CC[C@@H](N2CC[C@@H](NC(=O)Cn3nccn3)C2)C1=O 1014563151 CSVCPYPOJZZTAI-CHWSQXEVSA-N 318.381 -0.745 30 20 DBED N#CCN1CC[C@H](NC(=O)c2cn(C[C@H]3CCOC3)nn2)C1 1015916940 UHFXHQKANNSVLK-NEPJUHHUSA-N 304.354 -0.358 30 20 DBED CC#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)c1nnc(O)nc1O 1017704178 CKBRIESISBQWKD-AOOOYVTPSA-N 303.322 -0.405 30 20 DBED C#CCN1CCC(C(=O)N[C@H]2C[C@H](N[C@@H]3CCNC3=O)C2)CC1 1021092327 KMGCASJSIUSTIZ-RBSFLKMASA-N 318.421 -0.543 30 20 DBED C#CCN1[C@H]2CC[C@H]1CC(NC(=O)[C@H]1CC[C@@H](C(N)=O)O1)C2 1021378454 KXIYXPKFRANFIM-XDQVBPFNSA-N 305.378 -0.236 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC(=O)NC2)C1 1024530126 RRTGDZBYYCAPTQ-QJPTWQEYSA-N 323.393 -0.587 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)CC2=CCOCC2)C1 1025492129 IZHGAZHPAKJSHJ-CYZMBNFOSA-N 307.350 -0.429 30 20 DBED C=CCNC1CCC(NC(=O)c2cn(CC(N)=O)nn2)CC1 1026609432 HWQMFSREVMJPES-UHFFFAOYSA-N 306.370 -0.420 30 20 DBED CC#CCN1CC[C@H](CNC(=O)c2cn(CCOC)nn2)C1 1028533466 WIBOJGGCGKZHHN-CYBMUJFWSA-N 305.382 -0.001 30 20 DBED CC#CCN1[C@H]2CC[C@H]1CN(C(=O)CN1CCC(=O)NC1=O)C2 1029542504 NSBUDXAJHLACTG-STQMWFEESA-N 318.377 -0.373 30 20 DBED CC#CCN1[C@H]2CC[C@H]1CN(C(=O)C[C@@H]1CC(=O)NC1=O)C2 1029611459 RKPHFOQMEJSGSM-AVGNSLFASA-N 303.362 -0.262 30 20 DBED C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)CN1C(=O)CNC1=O 1032771090 MMESOKZVLIJOPQ-RYUDHWBXSA-N 306.366 -0.211 30 20 DBED C#Cc1cncc(C(=O)N(C)[C@H]2CCN(CC(=O)NC)C2)c1 1033406221 STZZORRIKHYLTG-AWEZNQCLSA-N 300.362 -0.045 30 20 DBED CC#CCN1CC[C@H](N(CC)C(=O)c2cn(CC(N)=O)nn2)C1 1034048338 GQEUOVMUUHXBKP-LBPRGKRZSA-N 318.381 -0.677 30 20 DBED C=C(C)CCN1CCO[C@@H](CNC(=O)C2CC(=O)NC(=O)C2)C1 1035541294 HDDJMLXEILUNAM-ZDUSSCGKSA-N 323.393 -0.178 30 20 DBED CN1C(=O)CN(CC(=O)N2CC[C@@H]3[C@H](CCN3CC#N)C2)C1=O 1036868634 PWTQIOZQIXLHKW-VXGBXAGGSA-N 319.365 -0.673 30 20 DBED Cn1cc(C(=O)N2CC[C@H]3[C@@H](CCN3CC#N)C2)n(C)c1=O 1036905409 JQOILANSVUNSNI-RYUDHWBXSA-N 303.366 -0.216 30 20 DBED Cc1nc(O)nc(O)c1CC(=O)N[C@@H]1[C@H]2C[C@H]1N(CC#N)C2 1037635436 ONQAHKCFTWDMNC-MKPLZMMCSA-N 303.322 -0.549 30 20 DBED CC[C@@H]1CN(C(=O)Cn2nc(C)n(C)c2=O)CC[C@@H]1NCC#N 1037963222 PPLKCPHDBJHNGQ-OLZOCXBDSA-N 320.397 -0.370 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)CCc2ncc[nH]2)C1 1039590875 NSEOIMTYNGLNFG-IAQYHMDHSA-N 319.365 -0.418 30 20 DBED C#CCCCC(=O)N1CC[C@](O)(CNC(=O)CCOCC#C)C1 1039718562 CKGIAONMDOWQFN-KRWDZBQOSA-N 320.389 -0.091 30 20 DBED C#CCCN1[C@H]2CCC[C@H]1CN(C(=O)c1nnc(O)nc1O)C2 1039731596 YUFUSUZQYXPAOA-QWRGUYRKSA-N 317.349 -0.015 30 20 DBED C[C@@H]1CCN(C(=O)C(N)=O)C[C@@H]1CNc1cncc(C#N)n1 1039887444 HZSPZYHMFLRQJP-ZJUUUORDSA-N 302.338 -0.270 30 20 DBED CC#CCN1[C@H]2CCC[C@H]1CN(C(=O)CN1C(=O)CNC1=O)C2 1039995457 MTTZMPDTJQLVSL-STQMWFEESA-N 318.377 -0.373 30 20 DBED C#CCN1CCC[C@@]2(CCN(C(=O)CN3C(=O)CNC3=O)C2)C1 1040519316 KVAKWYAYGHOBNI-MRXNPFEDSA-N 318.377 -0.514 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)c3ccnnc3)C2)nn1 1041357369 FCEZCZBHITVINW-VXGBXAGGSA-N 311.305 -0.882 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)COCC(F)F)C1 1041969364 JURDNQFBGUSTMH-UHFFFAOYSA-N 306.309 -0.076 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)[C@H]2CCCOC2)C1 1042003990 SGQNNCFDXZXZIS-STQMWFEESA-N 324.377 -0.859 30 20 DBED N#CCN1CC[C@H]2CCN(C(=O)Cn3ccc(O)nc3=O)C[C@@H]21 1042142192 KCNCFPJFQGQNJH-RYUDHWBXSA-N 317.349 -0.605 30 20 DBED CC[C@@H](OC)C(=O)N1CC(O)(CNC(=O)c2cc(C#N)c[nH]2)C1 1042402366 YVUQQLIIVMYZPQ-GFCCVEGCSA-N 320.349 -0.386 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)CCc2ncc[nH]2)C1 1042823996 VGEVERAVAFNQCB-UHFFFAOYSA-N 318.377 -0.309 30 20 DBED C=C(C)CCC(=O)NCC1(O)CN(C(=O)[C@H]2COCCO2)C1 1043312137 PDFGJKZRMFGMIA-GFCCVEGCSA-N 312.366 -0.552 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)[C@H](C2CC2)N(C)C)C1 1043462176 HAAPATZFTHTDEJ-JQWIXIFHSA-N 308.382 -0.824 30 20 DBED C=C(Br)CN1CC(N(C)C(=O)c2nnn(C)n2)C1 1043556427 CZEQUPFACYVMHY-UHFFFAOYSA-N 315.175 -0.125 30 20 DBED N#Cc1nccnc1N1C[C@H](O)[C@H](NC(=O)c2cnccn2)C1 1043835619 XPBKFOSXZHZXNL-NEPJUHHUSA-N 311.305 -0.882 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)c2cnn(C)n2)C1 1043888173 CLPQCHXQVGHVBQ-UHFFFAOYSA-N 307.354 -0.670 30 20 DBED COCCN1C[C@@H](C(=O)N[C@]2(C)CCN(CC#N)C2)CC1=O 1046365324 MSYUBFKLIHPBMJ-SWLSCSKDSA-N 308.382 -0.415 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]c(C)cc2=O)C1 1047585763 MNWQISWPBJTLLF-ZFWWWQNUSA-N 303.362 -0.176 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C(C)(C)F)C1 1048003540 OQRXSKXWJMQOBA-QWRGUYRKSA-N 302.346 -0.033 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2ccon2)C1 1048378175 NWTMUAZVUFQWQB-WXHSDQCUSA-N 321.333 -0.643 30 20 DBED C=CCCCC(=O)N(C)[C@H]1CN(C(=O)c2cnn[nH]2)C[C@@H]1O 1049365796 HDRYCLUVAKTTCM-RYUDHWBXSA-N 307.354 -0.195 30 20 DBED N#CCN1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CC[C@@H](C(N)=O)O1 1049725252 WFBNQLPMYLCKTI-MROQNXINSA-N 306.366 -0.392 30 20 DBED C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1cn(CC(N)=O)nn1 1049918579 LYTBYNGWJGOCTH-OLZOCXBDSA-N 318.381 -0.372 30 20 DBED C=CCN1CCOC[C@@H]1CNC(=O)[C@@H]1Cc2cncn2C(=O)N1 1051042028 ZVGRMRHVXKSXQH-STQMWFEESA-N 319.365 -0.632 30 20 DBED C[C@@H](NC[C@H]1CN(C(=O)C#CC2CC2)CCO1)c1nnnn1C 1051609199 QLCCIRUCVKDQJN-YPMHNXCESA-N 318.381 -0.499 30 20 DBED N#Cc1nccnc1N1CC[C@H](NC(=O)c2cnon2)[C@@H](O)C1 1051716897 BYFHPPMOCXACDF-KWQFWETISA-N 315.293 -0.899 30 20 DBED C#CCN1CCC[C@H](NC(=O)CN2C(=O)CN(C)C2=O)CC1 1052919798 PEKKKBWXWXLBOB-LBPRGKRZSA-N 306.366 -0.516 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)c1cnnc(O)c1)CCO2 1053297615 TYDCFNWDWLCXGM-UHFFFAOYSA-N 302.334 -0.268 30 20 DBED C#CCN1CC2(CC[C@H](CNC(=O)[C@H]3CCCC(=O)N3C)O2)C1 1053693721 IPNNHISIMIIMTN-ZIAGYGMSSA-N 319.405 -0.020 30 20 DBED C#CCN1CC2(CC[C@H](CNC(=O)[C@@H]3CN(CC)CCO3)O2)C1 1053699860 KCCZCQIXTUQLPB-CABCVRRESA-N 321.421 -0.310 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)C[C@@H]3CCN(C)C3=O)CO2)C1 1053841154 BFBGEHJNKRRVKK-UONOGXRCSA-N 319.405 -0.162 30 20 DBED C[C@H]1CN(C(=O)CN2C(=O)CC(C)(C)C2=O)C[C@@H]1NCC#N 1054664974 ZIZLWVFZIHQDSS-QWRGUYRKSA-N 306.366 -0.268 30 20 DBED C[C@H](C#N)C(=O)N[C@]1(CO)CCCN(C(=O)c2cnns2)C1 1056092846 FFAXAGUSASFJCK-NOZJJQNGSA-N 323.378 -0.219 30 20 DBED N#Cc1cnccc1N1C[C@H]2[C@H](NC(=O)[C@H]3COC(=O)N3)[C@H]2C1 1056193679 GTQYNFUHLHFNSY-XZUYRWCXSA-N 313.317 -0.388 30 20 DBED N#Cc1cncc(N[C@@H]2CCN(C(=O)C[C@H]3CCNC3=O)C2)n1 1056716585 YDCCENXXZUUSFO-GHMZBOCLSA-N 314.349 -0.113 30 20 DBED CCO[C@@H]1C[C@H]1C(=O)N(CCO)CCNC(=O)C#CC1CC1 1057089004 LLPCJWGMSYBJER-ZIAGYGMSSA-N 308.378 -0.238 30 20 DBED C=C[C@](C)(O)CC(=O)NCCN(CCO)C(=O)Cc1ccc[nH]1 1057791963 OJUGQTQKRJNISJ-INIZCTEOSA-N 323.393 -0.179 30 20 DBED C=CCCOCC(=O)N(CCO)CCNC(=O)[C@@H](C)OC 1057918919 FGEBLFKBELCXDA-GFCCVEGCSA-N 302.371 -0.449 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)c1c(C)n[nH]c1C 1058366423 ARNGGZVCEQBPGZ-UHFFFAOYSA-N 324.381 -0.220 30 20 DBED CCc1nc[nH]c1C(=O)NCCN(CCO)C(=O)[C@H](C)C#N 1058654835 JSCLSYHBIVPNLZ-SNVBAGLBSA-N 307.354 -0.318 30 20 DBED CN1C[C@@H](C(=O)N2CC[C@H](Nc3ncccc3C#N)C2)NC1=O 1059022882 GLXLLCYNWXFJKQ-RYUDHWBXSA-N 314.349 -0.010 30 20 DBED Cc1cc(=N[C@H]2CCN(C(=O)c3nnn(C)n3)C2)c(C#N)c[nH]1 1059030739 ZONOOEBTUZTDHA-NSHDSACASA-N 312.337 -0.466 30 20 DBED CN1CCOC[C@H]1C(=O)N[C@H]1C[C@H](Nc2nccnc2C#N)C1 1059187058 TUHDQVKNEODLBW-GVXVVHGQSA-N 316.365 -0.262 30 20 DBED COC(=O)NCC(=O)NCC[C@@H]1CCN(C(=O)[C@H](C)C#N)C1 1060288969 HRBVLFNLXWFNPR-GHMZBOCLSA-N 310.354 -0.143 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1[C@H]2COC[C@H]21 1061568753 QBORPGXLQWERDU-NYTXWWLZSA-N 320.389 -0.118 30 20 DBED N#Cc1cncc(N2CCO[C@@H](CNC(=O)c3nc[nH]n3)C2)n1 1063639999 WJSUQLRFOHURNV-JTQLQIEISA-N 314.309 -0.898 30 20 DBED N#Cc1cncc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)Cc2nc[nH]n2)n1 1064293977 CZVDJMMFPZDBIZ-YACGNSKGSA-N 310.321 -0.598 30 20 DBED Cc1cc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)Cn2ncnn2)c(C#N)cn1 1064297954 QNPQJBFWDUBIHD-RIEGTJTDSA-N 324.348 -0.358 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)c2cnn(C)c2N)CCC1 1064302377 IKYLAYJNWOIODM-VIFPVBQESA-N 304.354 -0.069 30 20 DBED C=CCCC(=O)N1CCO[C@@H](CNC(=O)C[C@@H]2CCNC2=O)C1 1064957788 QDPMZQNHVQIPRQ-STQMWFEESA-N 323.393 -0.178 30 20 DBED N#Cc1ccc(N2C[C@H]3CN(C(=O)Cc4nc[nH]n4)C[C@H]3C2)nn1 1066029565 UATVVHIQLZIUIK-PHIMTYICSA-N 324.348 -0.396 30 20 DBED C=CCCC(=O)NC[C@H]1CCC2(CN(C(=O)CC(N)=O)C2)O1 1068533048 KTNVQOCZWQOXCK-LLVKDONJSA-N 309.366 -0.296 30 20 DBED C#CCCCC(=O)N[C@@H]1COC2(C1)CN(C(=O)CC(=O)NC)C2 1068836648 KSWPHIJIKOSNIB-LBPRGKRZSA-N 321.377 -0.588 30 20 DBED Cc1cc(=N[C@H]2C[C@@H](C)N(C(=O)CC(N)=O)C2)c(C#N)c[nH]1 1069049834 NPSJEVWXJLQYMD-PWSUYJOCSA-N 301.350 -0.040 30 20 DBED CCC1(NC(=O)[C@@H](C)C#N)CCN(C(=O)CNC(N)=O)CC1 1069158215 FELOOOVJCNRAPO-JTQLQIEISA-N 309.370 -0.298 30 20 DBED CCc1nc(C#N)cc(N2CCC[C@@H](NC(=O)C(N)=O)[C@@H]2C)n1 1069403598 BZYOWLOUIHKLLA-GXSJLCMTSA-N 316.365 -0.131 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H]2CCCN2C)C1 1069902096 HGMHBULBQAAFCY-MCIONIFRSA-N 302.382 -0.653 30 20 DBED C#CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)C2=CCOCC2)C1 1069914236 ZFZSPGXYOQBIQA-CABCVRRESA-N 315.377 -0.010 30 20 DBED Cc1nonc1C(=O)NC1(CNC(=O)[C@@H](C)C#N)CCOCC1 1070159315 YAKGRMAEFIUXFW-VIFPVBQESA-N 321.337 -0.067 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CCCN(C(=O)Cn2cnnc2O)C1 1070641570 ONSXOUXAZJZXIR-GFCCVEGCSA-N 317.349 -0.496 30 20 DBED Cn1oc(C(=O)N2C[C@@H]3C[C@@H]4CN(CC#N)C[C@]3(C2)O4)cc1=O 1070792376 UWMOBJBPVBWNMR-FIXISWKDSA-N 318.333 -0.583 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)Cc4cncnc4)C[C@@]3(C1)O2 1070794041 WVUQAMNZXIIQJN-BFYDXBDKSA-N 312.373 -0.046 30 20 DBED C=CCCN1CCNC(=O)CCN(C(=O)[C@@H]2CCC(=O)N2)CC1 1071016113 AMLACUZGLIYIEN-ZDUSSCGKSA-N 322.409 -0.508 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)CN2CCCC2=O)C[C@@H]1C 1071556465 JHVSXVOJBRYZCK-QWHCGFSZSA-N 323.393 -0.226 30 20 DBED C[C@@H]1CN(C(=O)CSCC#N)C[C@@H]1NC(=O)c1nc[nH]n1 1071661763 OBHMJNZVOLZTED-BDAKNGLRSA-N 308.367 -0.362 30 20 DBED C[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)CCNC(N)=O 1072038463 FKJKOTJXVBUCGV-CMPLNLGQSA-N 306.366 -0.579 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1NC(=O)C1(NC(N)=O)CC1 1072049425 SYNYALHXRNYOOL-PWSUYJOCSA-N 318.377 -0.436 30 20 DBED C#CCOCCC(=O)N1C[C@@H](NC(=O)CCN(C)C)[C@H](C)C1 1072101806 QSVYVMWTRJQQBN-ZIAGYGMSSA-N 309.410 -0.059 30 20 DBED C=C(C)CCC(=O)N1C[C@H](C)[C@H](NC(=O)Cn2cnnn2)C1 1072212975 ACCFJWHVKQUGIM-NWDGAFQWSA-N 306.370 -0.008 30 20 DBED CC#CCN1CCCO[C@@H](CNC(=O)c2cn(C)c(=O)cn2)C1 1073703346 LZHCNHGHYGYUAN-ZDUSSCGKSA-N 318.377 -0.376 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)c3cccc(=O)n3C)C[C@@H]21 1074335752 DILPJPXFYXJETI-LSDHHAIUSA-N 315.373 -0.066 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@H]2CCN(C(=O)C(N)=O)CC[C@H]2C1 1074360421 XRUKYKHAINXVMR-UPJWGTAASA-N 321.377 -0.793 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)CCN3CCCC3=O)C[C@@H]21 1074402582 IOUNQFKIELDKPX-LSDHHAIUSA-N 319.405 -0.066 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H](C)CCNC(=O)CNC(=O)CC 1075944132 POQAORVSYAMRPI-XHDPSFHLSA-N 313.398 -0.149 30 20 DBED C[C@@H](CCNC(=O)CC1CS(=O)(=O)C1)NC(=O)[C@@H](C)C#N 1077208470 NSHJXPFROFOMIE-UWVGGRQHSA-N 315.395 -0.408 30 20 DBED C[C@@H](CCNC(=O)[C@@H](C)C#N)NC(=O)COCc1nncn1C 1078136094 DMPMPEGULCDULO-QWRGUYRKSA-N 322.369 -0.498 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)Cc2ccc(C(N)=O)cc2)C1 1078254724 LSPUDIMZTHCZGC-HUUCEWRRSA-N 315.373 -0.487 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1c2ccccc2CCN1C(=O)C(N)=O 1079129297 QXNOSSBJXKNXGO-GWCFXTLKSA-N 314.345 -0.126 30 20 DBED C#CCOCCC(=O)N1CC(N(CC)C(=O)C2(C(N)=O)CC2)C1 1080399603 VAGFMEFEXHBGHJ-UHFFFAOYSA-N 321.377 -0.649 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cn[nH]c2)C1 1081295109 MMSKZZBWHHBPPT-NWDGAFQWSA-N 308.338 -0.839 30 20 DBED CCCOCC(=O)NC[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1081328287 VWDKOUSPQKLYBQ-ZIAGYGMSSA-N 308.378 -0.238 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)Cc2cnn(C)c2)C1 1081333391 SKGPIQSDUVAYIW-UONOGXRCSA-N 320.393 -0.136 30 20 DBED CC(C)(C)C(=O)C(=O)NC[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1081349259 NWSJFSRQKJYLSG-QWHCGFSZSA-N 320.389 -0.050 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]1O 1081463080 JEECVMLUOFPTPL-GJZGRUSLSA-N 323.437 -0.079 30 20 DBED O=C(CC1(O)CCC1)NC[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1081466006 NVIRZMOWXUHRDK-ZIAGYGMSSA-N 320.389 -0.360 30 20 DBED C=C(Cl)C(C)(C)C(=O)NC[C@H]1CN(C(=O)C(N)=O)C[C@H]1O 1081513148 AYINDENSENQIGS-DTWKUNHWSA-N 317.773 -0.814 30 20 DBED CC1(C(=O)NC[C@@H]2CN(C(=O)CSCC#N)C[C@@H]2O)CC1 1081539953 UFQKRJQEJWHGIP-MNOVXSKESA-N 311.407 -0.021 30 20 DBED CC#CCCCC(=O)NC[C@H]1CN(C(=O)CNC(C)=O)C[C@H]1O 1081669486 UDNDFIFDTLCCAN-UONOGXRCSA-N 323.393 -0.748 30 20 DBED C=CCCCC(=O)NC[C@H]1CN(C(=O)Cn2nccn2)C[C@@H]1O 1081705044 LNZGGPUZKQECEH-STQMWFEESA-N 321.381 -0.430 30 20 DBED C=CCC1(C(=O)NC[C@H]2CN(C(=O)C(N)=O)C[C@H]2O)CCC1 1081740831 BHIAEMPFDCYRNQ-WDEREUQCSA-N 309.366 -0.846 30 20 DBED C=CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CN1CCCNC1=O 1083130141 YJBCKTSPMYKZIN-QWHCGFSZSA-N 308.382 -0.501 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)[C@H]2CNC(=O)c3ccccc32)C1 1083527453 UTHDRXJSGLDQEK-MJBXVCDLSA-N 314.345 -0.802 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCc3nnn(C)c3C2)C1 1083730045 MHHUKYWAPZFHNV-LNSITVRQSA-N 317.393 -0.895 30 20 DBED C[C@H]1CC[C@H](NC(=O)CNC(N)=O)CN1c1cnc(C#N)cn1 1089108929 CXOYHLDPAOLWAV-UWVGGRQHSA-N 317.353 -0.510 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2cc(CN(C)C)on2)[C@@H](O)C1 1090382399 QZDCAUXZEJKXON-ZFWWWQNUSA-N 320.393 -0.076 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2cc(OC)n(C)n2)[C@@H](O)C1 1090422443 KWAIXHDFHZGYEJ-YPMHNXCESA-N 306.366 -0.383 30 20 DBED C=CCCN1CC[C@H](NC(=O)CN2CCC(=O)NC2=O)[C@@H](O)C1 1090710441 VCDHJKOEYCFSRV-RYUDHWBXSA-N 324.381 -0.944 30 20 DBED CC#CCN1CC[C@@H](NC(=O)C2CCN(C(C)=O)CC2)[C@H](O)C1 1090795839 ZMDDQNZDGWFCIT-HZPDHXFCSA-N 321.421 -0.180 30 20 DBED CCCOCC(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1091070341 DAECDCQZJRKCDM-NEPJUHHUSA-N 305.338 -0.559 30 20 DBED CC(C)(O)CC(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1091099573 OLKJCVFBEHJWHD-ZJUUUORDSA-N 305.338 -0.825 30 20 DBED CC(=O)N[C@H](C(=O)NCCN=c1cc[nH]c(C#N)n1)C(C)(C)C 1093713725 CZBSOFNGPDXRKA-CYBMUJFWSA-N 318.381 -0.151 30 20 DBED CCC[C@@H](NC(N)=O)C(=O)NCCNc1cncc(C#N)n1 1093776045 RZEPDEBGWOJOIE-SNVBAGLBSA-N 305.342 -0.287 30 20 DBED Cc1cccc(C(=O)N[C@@H]2CC(=O)N(C3CN(CC#N)C3)C2)n1 1094704289 STVAIDDKVCEKLV-GFCCVEGCSA-N 313.361 -0.072 30 20 DBED N#CCN1CC(N2C[C@H](NC(=O)c3ncccc3O)CC2=O)C1 1094730554 DXSKLVPYMPRGFD-SNVBAGLBSA-N 315.333 -0.674 30 20 DBED Cc1c[nH]c(C(=O)N[C@@H]2CC(=O)N(C3CN(CC#N)C3)C2)n1 1094792711 VAAJMYROEOOJEG-SNVBAGLBSA-N 302.338 -0.743 30 20 DBED CN(c1ccnc(C#N)n1)[C@H]1CCN(C(=O)CNC(N)=O)C1 1095091497 MVUOPNGYOMYAQD-VIFPVBQESA-N 303.326 -0.946 30 20 DBED CCNC(=O)CC(=O)NC1CCN(c2ccc(C#N)nn2)CC1 1095412873 PXQJLAZHMWNSSP-UHFFFAOYSA-N 316.365 -0.041 30 20 DBED CCN(CCCNC(=O)[C@@H]1CNC(=O)N1)c1ccc(C#N)nc1 1095960153 UMDUOFUCUXUOIK-ZDUSSCGKSA-N 316.365 -0.033 30 20 DBED N#Cc1cnc(N2CC[C@@H](NC(=O)C3(C(N)=O)CC3)C2)cn1 1096477516 ZZDNDLVTWISNMI-SECBINFHSA-N 300.322 -0.691 30 20 DBED Cc1cc(=N[C@H]2CCN(C(=O)CCNC(N)=O)C2)c(C#N)c[nH]1 1096938432 VMAPKUKAOQQHJU-LBPRGKRZSA-N 316.365 -0.245 30 20 DBED CCc1nc(C#N)cc(N[C@@H](C)CNC(=O)CC(=O)NC)n1 1097790338 WMQMVAHWCWQFQH-VIFPVBQESA-N 304.354 -0.037 30 20 DBED C#CCCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cn(C)c(=O)nc1O 1098387073 WUAOBXGWRRPUTH-RTXFEEFZSA-N 316.361 -0.156 30 20 DBED COCCCOCC(=O)N1CCC(N(CC#N)CCO)CC1 1098527004 RXGDOFLUZOEIHW-UHFFFAOYSA-N 313.398 -0.152 30 20 DBED CCN(CCC#N)C(=O)CN1CC[C@@H](NC(=O)C2CC2)[C@H](O)C1 1099607069 HRJSBIAYBISJES-ZIAGYGMSSA-N 322.409 -0.290 30 20 DBED C[C@H](CCNC(=O)[C@H]1CCNC1=O)N=c1cc[nH]cc1C#N 1099617300 SUFDEMVHPBSZDP-ZYHUDNBSSA-N 301.350 -0.182 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2cccn2C)[C@H](O)C1 1099669177 NPUXYQFUUCSOPY-DZGCQCFKSA-N 305.378 -0.160 30 20 DBED CC(C)(C)C#CC(=O)N[C@@H]1CCN(Cc2nc(O)n[nH]2)C[C@H]1O 1099830152 NMMXDZAJCFVVQE-GHMZBOCLSA-N 321.381 -0.389 30 20 DBED C#CCOCCC(=O)N[C@H]1CCN(Cc2nccn2C)C[C@@H]1O 1099833564 YDGHZKWYGFRMCJ-KBPBESRZSA-N 320.393 -0.489 30 20 DBED C#CCN1CC[C@@H](NC(=O)CCn2ccccc2=O)[C@H](O)C1 1099858873 SLFXETACCRONPO-ZIAGYGMSSA-N 303.362 -0.577 30 20 DBED C#CCC1(C(=O)N[C@H]2CCN(CCOCCO)C[C@@H]2O)CCC1 1099875001 UGUMHWIDGNRHEM-GJZGRUSLSA-N 324.421 -0.260 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)C(C)(C)CC=C)[C@H](O)C1 1100021065 XCYUGYMPYYAVJH-UONOGXRCSA-N 321.421 -0.111 30 20 DBED N#CCN1CC[C@@H](NC(=O)C2(NC(N)=O)CCCCC2)[C@H](O)C1 1100026940 KCCNOWGVALJMFY-VXGBXAGGSA-N 323.397 -0.567 30 20 DBED CN(CCNC(=O)C(=O)NCC(F)F)c1ccnc(C#N)n1 1100223654 FXXDMQIBCIYNPP-UHFFFAOYSA-N 312.280 -0.718 30 20 DBED CS(=O)(=O)NCCNC1CC(CNC(=O)C#CC2CC2)C1 1100315018 PZVKLXXDLCADAJ-UHFFFAOYSA-N 313.423 -0.567 30 20 DBED C=C(Cl)CNC1CC(CNC(=O)CNS(=O)(=O)NC)C1 1100538538 YQPZRQCPNYBUSS-UHFFFAOYSA-N 324.834 -0.723 30 20 DBED C=CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)c2cnon2)C1 1102474192 JXYWVPSWWVFCAD-GHMZBOCLSA-N 307.354 -0.331 30 20 DBED CC(=O)NCC(=O)N(C)[C@H]1CCN(c2ccnc(C#N)n2)C1 1102670233 USIWAYZQAXWOAY-NSHDSACASA-N 302.338 -0.479 30 20 DBED CC[C@@H](CNC(=O)Cn1cnnn1)Nc1nccnc1C#N 1102968516 DDXPNZTYSDKWNY-VIFPVBQESA-N 301.314 -0.658 30 20 DBED CC[C@@H](CNC(=O)[C@H]1COC(=O)N1)Nc1nccnc1C#N 1103052228 CHCGXIFBTLPIIL-WCBMZHEXSA-N 304.310 -0.237 30 20 DBED CC[C@@H](CNC(=O)[C@]1(C)CNC(=O)C1)N=c1cc[nH]c(C#N)n1 1103244511 RBSQITUPEUCERA-BONVTDFDSA-N 316.365 -0.397 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)C[C@@H](C)NC(N)=O 1104099782 QLLMGSICZDIGPV-VHSXEESVSA-N 319.369 -0.619 30 20 DBED C[C@@H](CC(=O)NC[C@H](C)CNc1cnc(C#N)cn1)NC(N)=O 1104100173 ZHGCMHUAQFPPOT-ZJUUUORDSA-N 319.369 -0.041 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)Cn1cncn1 1104570921 YSVODNVMNLKUFB-JTQLQIEISA-N 300.326 -0.679 30 20 DBED C#CCNCC[C@@H]1CN(C(=O)C[C@H]2CC(=O)NC2=O)C[C@H]1C 1105121746 XSMHFRRNQNZSAU-JHJVBQTASA-N 305.378 -0.253 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)CN2CCCC2=O)cn1 1105716382 QIOBHHXZPKMBAB-CYBMUJFWSA-N 317.349 -0.535 30 20 DBED C[C@@](O)(CC(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1)C1CC1 1105826551 HJHSZJZPKHGFTP-IAQYHMDHSA-N 319.365 -0.790 30 20 DBED CCn1cnc(C(=O)NC[C@@H](O)CNc2cncc(C#N)n2)c1 1105916606 QJACTABIMVQUAI-NSHDSACASA-N 315.337 -0.233 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)C[C@@H]2CCNC2=O)nc1 1106003137 WMIXEMKTNRPSKJ-NWDGAFQWSA-N 317.349 -0.632 30 20 DBED Cc1nnccc1C(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1 1106173643 ZKBUHWXUMQIWMN-JTQLQIEISA-N 313.321 -0.929 30 20 DBED Cc1cc(=NCC[C@@H](C)NC(=O)Cn2cnnn2)c(C#N)c[nH]1 1106195472 XZEKGTCSVWKIRE-SNVBAGLBSA-N 314.353 -0.323 30 20 DBED C#CCNC(=O)CC(=O)NC/C=C\CNc1cncc(C#N)n1 1107130518 POPOXCZQFOKNNH-ARJAWSKDSA-N 312.333 -0.428 30 20 DBED C#CCN1CC(n2cc(CNC(=O)CC3(O)CCC3)nn2)C1 1107167717 IGGVOWWFWYQGTL-UHFFFAOYSA-N 303.366 -0.311 30 20 DBED CN(C)CCOCC(=O)NC/C=C\CN=c1cc[nH]c(C#N)n1 1107273268 XQOBAEHMORBSOG-ARJAWSKDSA-N 318.381 -0.567 30 20 DBED N#Cc1nccnc1NC/C=C\CNC(=O)[C@H]1CCCNC1=O 1107389542 MVZLDFAIWIPVOY-RFMOXSJOSA-N 314.349 -0.041 30 20 DBED C=C(Cl)CN1CCO[C@@](C)(CNC(=O)CNC(N)=O)C1 1107723881 DKPFLYBROFVIHH-LBPRGKRZSA-N 304.778 -0.386 30 20 DBED C[C@@]1(CNC(=O)c2ccon2)CN(CC(=O)NCC#N)CCO1 1107773749 QXBRCAHKLIJFMG-CQSZACIVSA-N 321.337 -0.865 30 20 DBED C[C@H](CNc1ccc(C#N)nc1)NC(=O)[C@@H]1CCS(=O)(=O)N1 1107780881 VNKZQTVDHQDSHB-SKDRFNHKSA-N 323.378 -0.438 30 20 DBED C[C@@]1(CNC(=O)CCn2ccccc2=O)CN(CC#N)CCO1 1107983469 LZHZHZPTEHYIMV-MRXNPFEDSA-N 318.377 -0.031 30 20 DBED C[C@@H](CN=c1cc[nH]cc1C#N)NC(=O)C(=O)NCC(F)F 1108599879 ZIOXYIZBOLAQEE-QMMMGPOBSA-N 311.292 -0.327 30 20 DBED C[C@H](CN(C)c1ccc(C#N)nn1)NC(=O)C1(C(N)=O)CC1 1109217136 KWORDJZJRMGDAB-SECBINFHSA-N 302.338 -0.445 30 20 DBED C=CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H](CCC(N)=O)NC(C)=O 1109849362 OSNLQWGYHCVDJQ-MQYQWHSLSA-N 322.409 -0.336 30 20 DBED N#Cc1ccc(NC2(CNC(=O)[C@H]3COC(=O)N3)CC2)nn1 1110122006 VJQCZNORKAGRKA-SECBINFHSA-N 302.294 -0.483 30 20 DBED CN(C)CCOCC(=O)NCC1(Nc2ccnc(C#N)n2)CC1 1110190068 DPLXRYQJNJNBFV-UHFFFAOYSA-N 318.381 -0.013 30 20 DBED CN1CC[C@@H](C(=O)NCC2(Nc3cncc(C#N)n3)CC2)C1=O 1110307044 LNMBFJHHYZPBEV-NSHDSACASA-N 314.349 -0.113 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H]1CCCN1C(=O)CCNC(N)=O 1110544477 QKXPALFWTJDTDU-LBPRGKRZSA-N 316.365 -0.164 30 20 DBED CC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H](C)NS(C)(=O)=O 1111067279 FJTSZXQFABMESA-LOWDOPEQSA-N 313.423 -0.331 30 20 DBED COCCC(=O)N(C)[C@H]1CN(c2ccncc2C#N)C[C@@H]1O 1111167728 NRMSPFGKYWGWQR-KBPBESRZSA-N 304.350 -0.002 30 20 DBED COCCC(=O)N(C)[C@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1111168082 XKMXHHPJHJNEMB-RYUDHWBXSA-N 305.338 -0.607 30 20 DBED N#Cc1nccnc1NCCN(CCO)C(=O)c1cnccn1 1111411684 OITKQMKABISJLV-UHFFFAOYSA-N 313.321 -0.315 30 20 DBED Cn1cc(C(=O)N(CCO)CCNc2cncc(C#N)n2)cn1 1111417639 OVYMNWUGULNJSP-UHFFFAOYSA-N 315.337 -0.372 30 20 DBED Cc1ccc(C#N)c(NCCN(CCO)C(=O)CC(N)=O)n1 1111440730 BGFOAFVJVSHAQJ-UHFFFAOYSA-N 305.338 -0.630 30 20 DBED C[C@H](NC(N)=O)C(=O)NCC1(Nc2ccc(C#N)nn2)CCC1 1111786281 ISKHBUKPRRLFQL-VIFPVBQESA-N 317.353 -0.144 30 20 DBED CN(C)CCC(=O)NC[C@H]1CN(c2ccc(C#N)nc2)C[C@H]1O 1112754547 CDZLVYWHMKFWHR-SWLSCSKDSA-N 317.393 -0.182 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)c2nn(C)cc2C)CC1 1112834376 KZLJTURJKRAUCP-ZDUSSCGKSA-N 317.393 -0.376 30 20 DBED COCC#CCN1CCN(C(=O)COC[C@@H]2CCOC2)CC1 1113399151 RXEKKLAPDKPQCY-OAHLLOKOSA-N 310.394 -0.167 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)c3cnn(C)c3C)[C@@H]2C1 1113857292 KJUMXLNCXGHDPH-CHWSQXEVSA-N 315.377 -0.862 30 20 DBED C=CCCO[C@H](C)C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1113996758 ZOQGSAFYVFOFEN-CXTNEJHOSA-N 320.393 -0.346 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3[nH]ccc3C)[C@H]2C1 1114200619 CCBQHNKXWKSORR-RYUDHWBXSA-N 300.362 -0.267 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)c3nonc3C)[C@@H]2C1 1115346377 VLTCNJRBDNUNCP-HBNTYKKESA-N 319.365 -0.271 30 20 DBED CC#CCN(C)c1nnnn1[C@@H]1CCCN(S(C)(=O)=O)C1 1120130443 RARHHOYUOHJZSS-LLVKDONJSA-N 312.399 -0.271 30 20 DBED COCC#CCNC1CC2(C1)CC(NC(=O)[C@@H]1COC(=O)N1)C2 1121033458 DYYNUUPYRIUVME-KSISSFPLSA-N 321.377 -0.238 30 20 DBED Cc1cc(C(=O)NC[C@@H](CO)N=c2cc[nH]cc2C#N)n(C)n1 1121150341 JRHQSSOVMHAOTP-LBPRGKRZSA-N 314.349 -0.380 30 20 DBED Cc1cc(=N[C@@H](CO)CNC(=O)C2=CCOCC2)c(C#N)c[nH]1 1121338691 AURFBXULNUAIGN-CQSZACIVSA-N 316.361 -0.081 30 20 DBED C=CCn1c(N2CCN(C)C(=O)C2)nnc1[C@]1(O)CCOC1 1121625031 AKUSZICPYCDEHL-AWEZNQCLSA-N 307.354 -0.650 30 20 DBED CN(C)[C@@H](C(=O)NC[C@H](CO)Nc1nccnc1C#N)C1CC1 1122152940 LTJJCUOTFSMXBK-DGCLKSJQSA-N 318.381 -0.423 30 20 DBED N#Cc1cnc(N[C@@H](CO)CNC(=O)c2cnn[nH]2)c(Cl)c1 1122880588 UIQOVOGHLZPZKB-MRVPVSSYSA-N 321.728 -0.072 30 20 DBED CNC(=O)CC(=O)N[C@H]1CCCN(c2ccnc(C#N)n2)[C@@H]1C 1123538635 NQEOLPFFBADMQE-MNOVXSKESA-N 316.365 -0.042 30 20 DBED CN(C[C@H](O)CNc1cncc(C#N)n1)C(=O)[C@@H]1CCCN1C 1124206782 DHMMFOLGWWJJLE-OLZOCXBDSA-N 318.381 -0.326 30 20 DBED C#CCNC(=O)CC(=O)NCCNCc1c(C)noc1CC 1125997880 DSTKGTPAYKRFIK-UHFFFAOYSA-N 306.366 -0.109 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)/C=C\c1ccc[nH]1 1126238607 NUVDZRXIYYKALN-WAYWQWQTSA-N 319.365 -0.255 30 20 DBED N#Cc1ccc(N2CC=C(CNC(=O)Cn3cnnn3)CC2)cn1 1127551615 DKBROGRGBJUWLX-UHFFFAOYSA-N 324.348 -0.107 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1ccn(C(F)F)n1 1128227710 BWFZMVNBEWVGKB-VIFPVBQESA-N 313.308 -0.265 30 20 DBED C=CCCC(=O)N[C@@H]1CN(CC(=O)NC)C[C@@H]1n1ccnn1 1128803013 FEACAUWGJLIAIZ-NEPJUHHUSA-N 306.370 -0.668 30 20 DBED C=CCCC(=O)N[C@@H]1CN([C@@H](C)C(=O)NC)C[C@@H]1n1ccnn1 1128820561 AZVBHTMQIMDSQH-XQQFMLRXSA-N 320.397 -0.280 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(CCF)C[C@@H]1n1ccnn1 1128962266 RHOGIMGLBPIWSM-MBNYWOFBSA-N 311.361 -0.084 30 20 DBED N#CCNC(=O)CNCCNC(=O)[C@@H]1Cc2ccccc2O1 1131019187 UICPJXPDAGEGBI-ZDUSSCGKSA-N 302.334 -0.664 30 20 DBED C[C@@H]1CC[C@@H](NC(=O)CN(C)S(C)(=O)=O)CN1CC#N 1132076908 DLGKUOMZTPRFNY-GHMZBOCLSA-N 302.400 -0.630 30 20 DBED C#CCNC[C@@H]1CN(C(=O)C2CC(=O)NC(=O)C2)CC[C@@H]1C 1133165197 CRHACRALRROXKR-WCQYABFASA-N 305.378 -0.253 30 20 DBED CCC(=O)NCC(=O)N[C@H](C)C[C@H](C)NCC(=O)NCC#N 1133970105 RLEDGCRPHSPRGE-WDEREUQCSA-N 311.386 -0.975 30 20 DBED COCC#CCNCCNC(=O)CCCCN1CCOCC1 1135323352 QXFNRMBNFLYHAL-UHFFFAOYSA-N 311.426 -0.156 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)CN(C)CCC 1135976943 OLPLJALQKQHHLP-KGLIPLIRSA-N 310.442 -0.050 30 20 DBED C[C@@H]1CO[C@@H](C(=O)N2CC3(CCN(CC(=O)NCC#N)C3)C2)C1 1147919876 CQDNVAYKFJDKGB-QWHCGFSZSA-N 320.393 -0.415 30 20 DBED C[C@H]1CCN(C(=O)C(=O)NC[C@@H]2CN(CC#N)CCCO2)C1 1150572903 WXEVXVSUFROMSX-QWHCGFSZSA-N 308.382 -0.415 30 20 DBED C#CCN(C)C[C@H]1CCCCN1C(=O)CCNS(C)(=O)=O 1158035653 HAZLPTILLGWWHJ-CYBMUJFWSA-N 315.439 -0.128 30 20 DBED C#CCNC(=O)CNCCCNC(=O)CCc1nccn1C 1163044260 RFGUBJVHLPCOFK-UHFFFAOYSA-N 305.382 -0.802 30 20 DBED C#CCNC(=O)CNCCCNC(=O)C(=O)N1CCC(C)CC1 1167734098 LRPVGKAGWSEVIK-UHFFFAOYSA-N 322.409 -0.910 30 20 DBED C=CCNC(=O)CNCCCNC(=O)c1cnn(C)c1OC 1174753122 JTDWFYIWLBHGSX-UHFFFAOYSA-N 309.370 -0.560 30 20 DBED C=CCOCCNCCCNC(=O)CCS(=O)(=O)N(C)C 1176817477 FXWYCBBDQQSUIQ-UHFFFAOYSA-N 321.443 -0.434 30 20 DBED C#CCNC(=O)CNCCCC[C@H](C)NC(=O)CCCC(N)=O 1176825122 XERFHJPQDMZOES-ZDUSSCGKSA-N 324.425 -0.344 30 20 DBED C[C@@H](N[C@@H]1CCN(C(=O)C#CC(C)(C)C)C1)C(=O)NC(N)=O 1182442135 OSBCXVYMGRYKKF-GHMZBOCLSA-N 308.382 -0.190 30 20 DBED C#CCN[C@@H]1CCN(C(=O)[C@H](Cc2cnc[nH]2)NC(C)=O)C1 1185377730 LGFNHCVTBFITNC-OCCSQVGLSA-N 303.366 -0.719 30 20 DBED CC#CCN[C@H]1CCO[C@H](C2CCN(C(=O)C(N)=O)CC2)C1 1186086505 RFMCAWGCSYWICH-KBPBESRZSA-N 307.394 -0.129 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2c(C)n[nH]c2C)C1 1186377282 OCOFTJBIKOQYKT-GFCCVEGCSA-N 303.366 -0.420 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3cc(C)no3)[C@@H]2C1 1186802772 FBXSNEFPZUAAQL-QWHCGFSZSA-N 316.361 -0.121 30 20 DBED CCN1CCO[C@@H](C(=O)N2CC[C@@H](NCC#CCOC)C2)C1 1187982633 PDGAVRULJFEDIS-HUUCEWRRSA-N 309.410 -0.453 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)Cn2cccn2)C1 1188870950 WEQNJFKOXWNRON-ZDUSSCGKSA-N 305.382 -0.282 30 20 DBED CO[C@H](C(=O)N1CC[C@@H](N(C)CC(=O)NCC#N)C1)C1CC1 1189901679 JXVGNLBRKUBWCC-OCCSQVGLSA-N 308.382 -0.416 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)Cc2cccnc2)C1 1192223582 UYMXLEHFOQLASO-HUUCEWRRSA-N 303.362 -0.565 30 20 DBED C#CCCN(C)[C@@H]1CCN(C(=O)CC[C@@H]2NC(=O)NC2=O)C1 1193905306 IHBJYICOHNMQEM-NEPJUHHUSA-N 306.366 -0.469 30 20 DBED CN1CC[C@H](C(=O)N2CC[C@@H](N(C)CC(=O)NCC#N)C2)C1 1194002798 ZIDOUBYWDTVCME-QWHCGFSZSA-N 307.398 -0.889 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(CC(=O)NCC)C[C@H]2O)cc1 1195204965 JTTDRNGINNBAKO-HUUCEWRRSA-N 315.373 -0.421 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)[C@H]2CCN(C)C2=O)CC1 1196862403 IXQQODGQTJQODY-ZDUSSCGKSA-N 322.409 -0.699 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2cnsn2)C[C@H]1O 1199313944 MZJHDCQTIKAMLX-MVWJERBFSA-N 312.395 -0.210 30 20 DBED COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC(NCC(=O)NCC#N)CC1 1199667285 IETLRFZLVTYBPP-NWDGAFQWSA-N 322.365 -0.984 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCC(N[C@H]2CCC(=O)NC2=O)CC1 1200332597 BOOFSKFIEVDPHQ-BLLLJJGKSA-N 323.393 -0.301 30 20 DBED CC[C@@H](NC[C@@H]1CN(C(=O)C#CC2CC2)CCCO1)C(N)=O 1200453147 RHOHWADATYZTNY-ZIAGYGMSSA-N 307.394 -0.129 30 20 DBED C=C(Cl)CNC[C@@H]1CN(C(=O)c2nnn(C)n2)CCCO1 1201185744 DFBSQJLLGFHSOV-SNVBAGLBSA-N 314.777 -0.217 30 20 DBED CC#CCN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)CN1C(=O)CNC1=O)C2 1204948252 MJFUMIFTDAXZKA-JHJVBQTASA-N 318.377 -0.469 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC(CN[C@H](C)C(=O)NC)CC1 1205264900 JXQKXWGPUNDGCP-OLZOCXBDSA-N 309.410 -0.013 30 20 DBED C=CCNC(=O)CNCC1CCN(C(=O)[C@@H]2CCC(=O)N2)CC1 1206881869 WSSCHWHEMOBZSE-ZDUSSCGKSA-N 322.409 -0.605 30 20 DBED C=C(Cl)CN1C[C@@H](NC(=O)CNC(=O)OC)[C@H](OC)C1 1211944571 DFAAGRFWFIITPO-NXEZZACHSA-N 305.762 -0.090 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)CCNC(=O)[C@@H]1CCCO1 1213985562 BIARKOXCYNHHJS-FRRDWIJNSA-N 324.381 -0.989 30 20 DBED C=C[C@](C)(O)CC(=O)N1C[C@@H](NCC(=O)N2CCC2)[C@H](C)C1 1214520923 SIVRIEOGTRUIMH-IOASZLSFSA-N 309.410 -0.018 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)CNC(=O)CCC)C1 1219290647 AQPRDMCTWBLDGL-MNOVXSKESA-N 303.790 -0.184 30 20 DBED CCN(CCC#N)C(=O)CN1C[C@H](O)[C@H](NC(=O)[C@H](C)C#N)C1 1219379763 YGOPMFXWBAFNHY-UPJWGTAASA-N 321.381 -0.930 30 20 DBED CCn1ncc(CN2C[C@H](O)[C@H](NC(=O)C#CC(C)C)C2)n1 1219581782 UGSHNXVBFXOPKK-KGLIPLIRSA-N 305.382 -0.381 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)CNC(=O)N2CCCC2)C1 1219612128 ZZLYCOUNCSLNCC-OLZOCXBDSA-N 310.398 -0.471 30 20 DBED C#CCN1CC[C@@H]2CCN(C(=O)CNS(=O)(=O)CC)C[C@@H]21 1222810822 YLFQOBIINTWORM-OLZOCXBDSA-N 313.423 -0.518 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCC(NC(=O)[C@H]2CCC(=O)N2)CC1 1226549684 ULTPKYNHVNVIDP-DGCLKSJQSA-N 322.409 -0.464 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1CCCC[C@H]1NCC(N)=O 1228956955 QANVHWBOTYUDPN-MGPQQGTHSA-N 324.425 -0.040 30 20 DBED C=CCN[C@@H]1CCCC[C@H]1NC(=O)[C@H](CCC(N)=O)NC(C)=O 1229150363 GTUWQLRDOZOIIC-MCIONIFRSA-N 324.425 -0.040 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)CCCCC(N)=O)CC1 1229943495 KBKCOOKZTJUBID-UHFFFAOYSA-N 322.409 -0.638 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@H]1CN(C)C(=O)c1cnns1 1230860188 DMCSTNBJHSHSMO-QWRGUYRKSA-N 321.406 -0.178 30 20 DBED C=C(C)COCCNC(=O)C(=O)NCC1(S(C)(=O)=O)CC1 1261164671 ZJPCNFDNPLJTPZ-UHFFFAOYSA-N 318.395 -0.611 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2CO)CCN1C1CC1 1261849488 IGKSYOOHKCTEFN-QWHCGFSZSA-N 306.366 -0.832 30 20 DBED N#CCNC[C@H]1CCCCN1C(=O)Cn1ccc(O)nc1=O 1317189563 VXGYCBSIZOWHGF-LLVKDONJSA-N 305.338 -0.557 30 20 DBED CN(C)c1ncncc1NC(=O)C(=O)N1CCO[C@H](C#N)C1 1320181088 NFJDOZQXWSBYDW-SECBINFHSA-N 304.310 -0.768 30 20 DBED CC(=O)NCC[C@@H]1CCCN(C(=O)NCC(=O)NCC#N)C1 1323104421 ZUIVWRDRDFCRCC-LBPRGKRZSA-N 309.370 -0.426 30 20 DBED CC[C@H](C#N)NC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 1324007150 LVWRDJAWNRQWON-GMTAPVOTSA-N 313.379 -0.560 30 20 DBED CCC(=O)N1CCN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)C1 1331968673 BRCLLCFOJZEWOP-CCEZHUSRSA-N 320.349 -0.059 30 20 DBED N#CC[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H](NC(N)=O)C2)C1 1333435155 CEZZXMIUFPPERX-QWRGUYRKSA-N 307.354 -0.592 30 20 DBED C=CCn1c(CCOCC)nnc1N1CCO[C@H](C(=O)NC)C1 1339542626 WJDNYHMXGJDUIS-LBPRGKRZSA-N 323.397 -0.006 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCN(CC)C(=O)[C@H]1CC 1342445667 NZVLYENGVHWHMF-GFCCVEGCSA-N 309.366 -0.778 30 20 DBED C#CCCCn1nnnc1N1CCN(C(C)(C)C(N)=O)CC1 1343886734 CKCQMIMLDCGFHI-UHFFFAOYSA-N 305.386 -0.528 30 20 DBED C#CCOCCn1nnnc1N1CC[C@@H](N2CCCC2=O)C1 1344584372 RDDOYFAPFOUCQC-GFCCVEGCSA-N 304.354 -0.476 30 20 DBED C#CCOCCN(C)C(=O)Cn1nnc2ccccc2c1=O 1351157712 VKQAREMTEISACV-UHFFFAOYSA-N 300.318 -0.100 30 20 DBED COC(=O)[C@H]1CSCCN1C(=O)[C@@H](C)n1cnc(C#N)n1 1361897243 KANYVPWKSWGKOH-RKDXNWHRSA-N 309.351 -0.172 30 20 DBED C[C@@H](C(=O)N1CCC(S(C)(=O)=O)CC1)n1cnc(C#N)n1 1362064638 HBXWADRKTBMFRS-VIFPVBQESA-N 311.367 -0.254 30 20 DBED C[C@H]1C(=O)CCCN1C(=O)CCn1cc(C#N)c(O)nc1=O 1363809363 UTUVZVFCRILIJX-VIFPVBQESA-N 304.306 -0.209 30 20 DBED CC(C)(C#N)CS(=O)(=O)N1CCC[C@H](S(N)(=O)=O)C1 1363834287 QGHTUXPQUCVOHP-VIFPVBQESA-N 309.413 -0.381 30 20 DBED N#Cc1cn(CCNC(=O)NC[C@H]2CCCOC2)c(=O)nc1O 1364606378 POILLRHTANCWAX-SNVBAGLBSA-N 321.337 -0.454 30 20 DBED C[C@H](C#N)C(=O)NCCN(C(=O)CCS(C)(=O)=O)C1CC1 1374311619 JQQORBFUMJOYHU-SNVBAGLBSA-N 315.395 -0.312 30 20 DBED CNC(=O)NCC(=O)NCC1CN(C(=O)c2cc(C#N)c[nH]2)C1 1389741968 DWKJVOFEXKAYFH-UHFFFAOYSA-N 318.337 -0.996 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CCN(C(=O)c2ccc(=O)n(C)n2)C1 1427523404 ZHIGRCQHNGELOI-QWRGUYRKSA-N 317.349 -0.387 30 20 DBED C[C@@H](C#N)C(=O)NCC1CN(C(=O)c2ccc(=O)n(C)c2)C1 1432474665 RLGIAFMHGODPHK-JTQLQIEISA-N 302.334 -0.267 30 20 DBED CCN(CCNC(=O)Cn1cnnn1)C(=O)c1c[nH]c(C#N)c1 1449287534 IPGHJYHPEQTBQA-UHFFFAOYSA-N 316.325 -0.849 30 20 DBED COCC#CCN1CCC[C@@H](NC(=O)c2nccnc2N)C1 1479900418 PCBUSLYZQWNUCN-GFCCVEGCSA-N 303.366 -0.097 30 20 DBED CCN(CCC#N)C(=O)CN(C)CCNC(=O)c1cnn[nH]1 1480884968 RQTLTBHIIJCHMX-UHFFFAOYSA-N 307.358 -0.772 30 20 DBED C=CCN(C(=O)CN1C(=O)CCC1=O)[C@H]1CCS(=O)(=O)C1 1520702915 JUOCHPRCTPFGNH-JTQLQIEISA-N 314.363 -0.663 30 20 DBED C=CC(C)(C)C(=O)NC[C@@H]1CCN1CC(=O)NCc1cnn[nH]1 1575065670 KNGPILOBOWWLSO-LBPRGKRZSA-N 320.397 -0.176 30 20 DBED CC[C@]1(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)CCNC1 1577195170 AIDBAXNQMYWZEL-HNNXBMFYSA-N 317.349 -0.406 30 20 DBED CCN1CCCN(c2cnc(-c3nn[nH]n3)c(C#N)n2)CC1=O 1578221451 YGNQDRUKOJGSBQ-UHFFFAOYSA-N 313.325 -0.413 30 20 DBED CCOC(=O)[C@@H]1CCN(c2cnc(C#N)c(-c3nn[nH]n3)n2)C1 1578243996 HVCAVOIQCXSTEZ-MRVPVSSYSA-N 314.309 -0.082 30 20 DBED C#CC[C@@H](NC(=O)CN(C)C(=O)[C@@H](C)n1cccn1)C(=O)O 1588406113 YBKXLWFHEMHTBB-GHMZBOCLSA-N 306.322 -0.505 30 20 DBED C#CCN(CC(=O)O)C(=O)c1cnc2c(c1)NC(=O)CN2C 1588418522 KGPVMKNKTQOYJW-UHFFFAOYSA-N 302.290 -0.370 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCNc1ncc(C(=O)O)cn1 1588476872 HLCDSPBPLHVRAK-LBPRGKRZSA-N 317.349 -0.200 30 20 DBED COc1cc(CNC(=O)NCC(=O)NCC#N)ccc1C(=O)O 1599413994 UORZCTIKYGQIJH-UHFFFAOYSA-N 320.305 -0.168 30 20 DBED C=CCCC[C@H](NC(=O)Cn1ncn2nccc2c1=O)C(=O)O 1602866161 ZBWXYFCGQOBCOF-JTQLQIEISA-N 319.321 -0.183 30 20 DBED C=CCCC[C@H](NS(=O)(=O)N1CCO[C@@H](C#N)C1)C(=O)O 1602869072 AHJZUYCODBSGLG-QWRGUYRKSA-N 317.367 -0.145 30 20 DBED N#CCCC[C@@H](N)C(=O)N(CCN1CCOCC1)CC(=O)O 1608180329 LLGJQDCGTSCFAB-GFCCVEGCSA-N 312.370 -0.747 30 20 DBED N#C[C@@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)OCC(N)=O 1609493229 JWSMZFMQYOHKOZ-SNVBAGLBSA-N 300.278 -0.423 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@@H]1CCCN(C(=O)CCN(C)C)C1 1752995927 FEJAUOAMEJIGKP-LSDHHAIUSA-N 322.453 -0.001 30 20 DBED C#CCNC(=O)CN(CCNC(=O)[C@@H]1C[C@H]1C(=O)OC)C1CC1 1753152856 PVFPASBKKFGNMJ-CHWSQXEVSA-N 321.377 -0.875 30 20 DBED CN(CCNCC(=O)NCC#N)C(=O)c1coc(C2CC2)n1 1753238686 RANPJAAEESWKBZ-UHFFFAOYSA-N 305.338 -0.147 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@H]1CN(Cc2cn(C)nn2)CCO1 1753649940 KAFKTNNSBOCOHB-DZGCQCFKSA-N 323.397 -0.541 30 20 DBED CC#CCNC[C@@H]1CCC[C@@H]1NC(=O)c1cn(C)c(=O)nc1O 1753900625 AANGNRAXPKVABG-AAEUAGOBSA-N 318.377 -0.003 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@H](O)CNCc1cc(C)n(C)n1 1753909577 JCXVXZYVBYCUSG-DZGCQCFKSA-N 310.398 -0.378 30 20 DBED C#CCCNCC[C@@H](C)NC(=O)c1cn(CC(=O)N(C)C)nn1 1754025099 DSIWVMYADCWLNM-GFCCVEGCSA-N 320.397 -0.512 30 20 DBED C=CCNC(=O)[C@H](C)NC[C@@H](C)NC(=O)C(=O)NCC(F)F 1754231743 DGBUMBJJOSPCEJ-BDAKNGLRSA-N 320.340 -0.847 30 20 DBED C=C(C)CNC[C@@H](NC(=O)[C@H](C)NS(C)(=O)=O)C1CC1 1754453023 PHGZJYCVNPDADF-CMPLNLGQSA-N 303.428 -0.015 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC(N(C)C(=O)[C@H]2CCCCN2C)C1 1754576919 DFGSIIGBABHEHZ-UKRRQHHQSA-N 320.437 -0.249 30 20 DBED N#CCNC[C@@H]1CN(C(=O)CCCN2C(=O)CCC2=O)CCO1 1754999511 AUMINMNUJDEFDG-GFCCVEGCSA-N 322.365 -0.744 30 20 DBED CC/C=C(\C)C(=O)N[C@@H]1COC2(C1)CN(CC(=O)NCC#N)C2 1755059029 NFYLFZKKXREPDM-VFJIKVCNSA-N 320.393 -0.058 30 20 DBED COCC#CCN[C@@]1(CO)CCCN(C(=O)Cc2cnc[nH]2)C1 1755089725 VSMUFOWUXMMFHR-INIZCTEOSA-N 320.393 -0.455 30 20 DBED C#CCCN[C@H](C)[C@H](C)NC(=O)c1nc(C)n(-c2nc[nH]n2)n1 1755245687 GFYFFTRUQMHAAN-ZJUUUORDSA-N 316.369 -0.186 30 20 DBED C#CCNC[C@H]1CC2(CCN(C(=O)CNC(C)=O)CC2)CO1 1755465147 YDGWQDZEYPBPFW-CQSZACIVSA-N 307.394 -0.257 30 20 DBED CC(C)NC(=O)CN(C)CC(=O)N[C@H]1C[C@H](CNCC#N)C1 1755474694 OSPIPMCYKNPXEX-JOCQHMNTSA-N 309.414 -0.549 30 20 DBED C[C@@H](CN(C)C(=O)c1ncccc1F)NCC(=O)NCC#N 1755611907 WTJUKDWDLKMLSJ-JTQLQIEISA-N 307.329 -0.089 30 20 DBED C=CCCN[C@H](CO)CNC(=O)c1cnn2c(=O)cc[nH]c12 1755640147 FKTHNPRZVIRCNZ-JTQLQIEISA-N 305.338 -0.721 30 20 DBED CC#CCNC[C@H]1CC[C@H](NC(=O)CS(=O)(=O)NC)C1 1755750183 SKEHBPNPNUUYNY-RYUDHWBXSA-N 301.412 -0.567 30 20 DBED CNC(=O)CC(=O)N1CC([C@H](C)NC(=O)c2ccc(C#N)[nH]2)C1 1756139802 ZTKRCXHYYNMAJP-VIFPVBQESA-N 317.349 -0.401 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)c1ccncc1 1756550139 OOUGTPZEWKKJLD-MJBXVCDLSA-N 319.361 -0.120 30 20 DBED C#CCOCCC(=O)N1C[C@@H](O)[C@H](NC(=O)CCCOC)C1 1756981075 PWPLWUQAQDBQOI-CHWSQXEVSA-N 312.366 -0.859 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@H]1N(C(=O)COC)C2 1757043656 ZEOAIEUIGVMIHV-FRRDWIJNSA-N 321.377 -0.732 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(CCCCC(=O)O)c1=O 1776188632 DFQNHGGZXRTQMF-UHFFFAOYSA-N 309.322 -0.201 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)/C=C(/C)C(=O)O)CCO2 1783055085 MQONDJPCGLFLNR-QIENPNARSA-N 306.318 -0.520 30 20 DBED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CC)NC)C2 1802022036 QMZYKTJALYRCOX-FQLMCAECSA-N 321.421 -0.013 30 20 DBED C#CCN1CCN(C(=O)CSc2nnnn2C2CC2)CC1 128183125 IEQBQRLDKJMURY-UHFFFAOYSA-N 306.395 -0.123 30 20 DBED C#CCOCCC(=O)NCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 245882333 ICOXUOUWWDEQGT-DDHJSBNISA-N 316.357 -0.050 30 20 DBED CN(CC(=O)NCC#N)S(=O)(=O)c1cccc([N+](=O)[O-])c1 265630532 JHUOZMGDEHHNBS-UHFFFAOYSA-N 312.307 -0.145 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@](C)(O)CCC)C1=O 266605401 ZYHCWNACEXXLBI-AWEZNQCLSA-N 311.338 -0.370 30 20 DBED N#Cc1cccc(S(=O)(=O)NCCC(=O)NCC(=O)O)c1 278307532 SFEDNFHNPGAZTP-UHFFFAOYSA-N 311.319 -0.573 30 20 DBED CCc1nncn1CC/N=C(/N)NCCCN1CCOCC1 304629068 KKMYYCWIJHECLQ-UHFFFAOYSA-N 309.418 -0.533 30 20 DBED CC(C)N1CC[C@@H](/N=C(/O)c2cn(CC(=O)N(C)C)nn2)C1=O 329713609 RSTQCXLKLLNLLY-SNVBAGLBSA-N 322.369 -0.320 30 20 DBED C[C@@H](CC#N)NC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 338071742 XBIWYCKEVOTBPM-VIFPVBQESA-N 318.337 -0.758 30 20 DBED COC[C@H](O)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N 338419032 CNDURYHMWITQIJ-MRVPVSSYSA-N 315.307 -0.248 30 20 DBED Cn1cc(Br)c(Cn2c(=O)c(C#N)cn(C)c2=O)n1 338541596 WZTKFQDYNVWXDC-UHFFFAOYSA-N 324.138 -0.037 30 20 DBED N#Cc1ccc(S(=O)(=O)NCCCCS(N)(=O)=O)o1 339019555 AQGGWGCUMPESBP-UHFFFAOYSA-N 307.353 -0.502 30 20 DBED C[C@@H]1CCC[C@]1(O)CNS(=O)(=O)N1CCO[C@@H](C#N)C1 339094650 BZGMWEBCHPBYBU-WOPDTQHZSA-N 303.384 -0.404 30 20 DBED CCCCCS(=O)(=O)CC(=O)NCCn1cnc(C#N)n1 342888913 SDSACOYRQQUIRE-UHFFFAOYSA-N 313.383 -0.129 30 20 DBED N#CCNC(=O)CNS(=O)(=O)c1ccc2c(c1)CCCO2 352509711 GNZRDXATQTWZBX-UHFFFAOYSA-N 309.347 -0.070 30 20 DBED CN(C)C1CCN(CCNC(=O)N2CCO[C@H](C#N)C2)CC1 408010890 RDUNOBSOACONBJ-CQSZACIVSA-N 309.414 -0.054 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N1CCN(C[C@@H](C)O)CC1 410911003 PVBSSZRBXPDJEJ-CYBMUJFWSA-N 313.398 -0.828 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(CC[C@@H]2CCOC2)c1=O 418811193 PHXFWMKJKDBOAJ-GFCCVEGCSA-N 307.350 -0.030 30 20 DBED C#CCNC(=O)CCN1CCN(Cc2nc(COC)no2)CC1 491167694 ZCCSFKCPXYLRLZ-UHFFFAOYSA-N 321.381 -0.527 30 20 DBED CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC#CCO 496512188 JVCUNMBCRKFNGR-SNVBAGLBSA-N 314.338 -0.445 30 20 DBED CN(CCC#N)S(=O)(=O)N1CCC[C@@H](N2CCNC2=O)C1 523768730 AAPQONHMSMXVDH-LLVKDONJSA-N 315.399 -0.434 30 20 DBED CN(C)C(=O)CCNC(=O)N(C)CCCc1[nH]nc(N)c1C#N 541895914 HUPCSODKGOGBQF-UHFFFAOYSA-N 321.385 -0.084 30 20 DBED CC#CC[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)O 543786881 SIAHVUDBJNMFGW-LLVKDONJSA-N 310.331 -0.070 30 20 DBED COCCOc1ccc(CNC(=O)NCC(=O)NCC#N)cn1 553802725 ITIDHIHNTDXDFF-UHFFFAOYSA-N 321.337 -0.454 30 20 DBED CN(C)S(=O)(=O)NCCNC(=O)c1ccc(C#N)c(O)c1 579368875 ZAEPLEFMRNYJBL-UHFFFAOYSA-N 312.351 -0.610 30 20 DBED N#Cc1cccc(S(=O)(=O)NCC(=O)N(CCO)C2CC2)c1 582518265 NRIVDJYQUYSIHK-UHFFFAOYSA-N 323.374 -0.180 30 20 DBED COC(=O)c1cnn(C)c1NC(=O)C(=O)N1CC[C@](F)(C#N)C1 590253602 KCYKROBXUFFPOZ-ZDUSSCGKSA-N 323.284 -0.391 30 20 DBED CC1(C)CN(C(=O)C(=O)N2CCN(CCC#N)CC2)CC[C@@H]1O 601533854 RGHOPAXBMWLXTA-ZDUSSCGKSA-N 322.409 -0.336 30 20 DBED CCN(CCC#N)C(=O)CN1CCN(Cc2nc[nH]n2)CC1 602868155 SZEZLESJBNIZFU-UHFFFAOYSA-N 305.386 -0.316 30 20 DBED C[C@H](O)C(=O)N1CCN(C(=O)c2cc(O)cc(C#N)c2)CC1 614304833 IEDGZUPUMXNIQU-JTQLQIEISA-N 303.318 -0.071 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)NCCOC[C@H]2CCOC2)CCO1 619709590 GNSOXXPAXZKTLO-NWDGAFQWSA-N 319.383 -0.902 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@H]1CCN(C)C(=O)C1 619714325 SYDZBAQNTMGCDM-NSHDSACASA-N 318.399 -0.696 30 20 DBED C=CCCn1cc(CN[C@@H]2CS(=O)(=O)C[C@H]2OC)nn1 657603157 IRIUNRQDBSRRJX-VXGBXAGGSA-N 300.384 -0.244 30 20 DBED C=C[C@H](CO)N[C@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1 662168016 OXXINWATOCGXMW-NXEZZACHSA-N 313.379 -0.203 30 20 DBED C=C[C@](C)(O)C(=O)N(CC)CC(=O)N[C@H]1CCS(=O)(=O)C1 665919416 KYOKFBSFEMADNQ-GWCFXTLKSA-N 318.395 -0.925 30 20 DBED C=CCNC(=O)COC(=O)Cc1c(C)[nH]c2ccnn2c1=O 733546628 IDYLNGAUVAODOD-UHFFFAOYSA-N 304.306 -0.281 30 20 DBED N#Cc1nc(NC(=O)[C@H]2C[C@H]3CC[C@H]2O3)[nH]c1-c1nn[nH]n1 737704633 IGDUNTHBRKKMEG-GKROBHDKSA-N 300.282 -0.033 30 20 DBED Cc1nnnn1-c1cc(N)ccc1C(=O)OCC(=O)NCC#N 745101177 HUOZZPDXEASTNA-UHFFFAOYSA-N 315.293 -0.651 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)c1ccc(S(N)(=O)=O)nc1 762872683 HKVNMRGKWTUYIW-QMMMGPOBSA-N 311.319 -0.976 30 20 DBED C#CCCCS(=O)(=O)NCCCN1CCC[C@H](C(N)=O)C1 804986117 LGDBCISQUNHJDQ-ZDUSSCGKSA-N 315.439 -0.093 30 20 DBED CCn1ncn(N=Cc2c(C)nn(C)c2N2CCOCC2)c1=O 814235274 CPHRPYAWNGRPLW-UHFFFAOYSA-N 319.369 -0.175 30 20 DBED N#C[C@@H]1CNC[C@H]1NC(=O)CCc1ccc(S(N)(=O)=O)cc1 834511117 ILBQAPLLUNEQSF-DGCLKSJQSA-N 322.390 -0.506 30 20 DBED C#CC[C@H](NC(=O)CNC(=O)COc1ccccc1)C(=O)OC 837931557 OGBBGDXBOZMMHW-ZDUSSCGKSA-N 318.329 -0.137 30 20 DBED C#CCC[C@H](O)CNC(=O)c1cc(S(N)(=O)=O)ccc1O 847174658 VALRWVRQJLMDNA-VIFPVBQESA-N 312.347 -0.456 30 20 DBED NC(=O)Cn1cc(C=NNC[C@@H]2COc3ccccc3O2)nn1 863198540 KQBKSCBTAJGPBQ-LLVKDONJSA-N 316.321 -0.473 30 20 DBED C#CC1(O)CN(C(=O)CNS(=O)(=O)c2ccc(C)c(C)c2)C1 890519348 KZVWBWCVVKBPSF-UHFFFAOYSA-N 322.386 -0.212 30 20 DBED CN(C)CCCN(CCC#N)C(=O)C1CN(S(C)(=O)=O)C1 900377738 CWQPLJVKHJFQDL-UHFFFAOYSA-N 316.427 -0.428 30 20 DBED C=CCNC(=O)C[S@@](=O)CCN1C(=O)NC(C)(C)C1=O 914525824 FAHFONFQBNXPFI-FQEVSTJZSA-N 301.368 -0.632 30 20 DBED C#CCN1CCC[C@H](NC(=O)c2ccc(-n3cnnn3)cn2)C1 923558742 UTDZGVVOBWHMSA-LBPRGKRZSA-N 311.349 -0.115 30 20 DBED N#C[C@@H]1CCCN(C(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)C1 928221030 NGXCNQJAXXFRSD-QPKSUZNQSA-N 317.345 -0.089 30 20 DBED N#Cc1cc(C(=O)N2CC[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)c[nH]1 938832628 KUFWZPCOMSWQLC-WCQGTBRESA-N 315.333 -0.662 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](N(C)C(=O)c2cn(C)c(=O)n2C)C1 939405781 HAVMDZTVEUCIJW-GHMZBOCLSA-N 319.365 -0.444 30 20 DBED C[C@H](NC(=O)c1ccc(C#N)[nH]1)[C@@H]1CCCN(C(=O)C(N)=O)C1 945667894 KCJNZVHYVNKQJQ-VHSXEESVSA-N 317.349 -0.271 30 20 DBED C#CCN1C[C@H]2CCN(C(=O)C3CS(=O)(=O)C3)CC[C@H]2C1 946604911 DJZNWHGNRHVUAZ-BETUJISGSA-N 310.419 -0.165 30 20 DBED Cc1nc(CC(=O)N2CCC3(CC2)CN(CC#N)CCO3)n[nH]1 949362385 MCWGKGGAKAEZNB-UHFFFAOYSA-N 318.381 -0.127 30 20 DBED Cn1nnc(C(=O)N[C@H]2CCCN(C(=O)C#CC3CC3)C2)n1 950762309 WRZDKGRHJRVVGR-NSHDSACASA-N 302.338 -0.656 30 20 DBED C[C@@H]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)C(N)=O 955797299 SIDPKSXCAVDITC-PSASIEDQSA-N 303.322 -0.519 30 20 DBED C=CCN1C[C@H](CNC(=O)c2cnc3nccn3c2)[C@@H](O)C1 958258917 XNZBJVGBEHUONW-AAEUAGOBSA-N 301.350 -0.062 30 20 DBED Cn1nncc1CN1C[C@H]2C(NC(=O)c3ccc(C#N)[nH]3)[C@@H]2C1 958601819 LUJCFFHBJGGHLS-VXGBXAGGSA-N 311.349 -0.125 30 20 DBED C#CCCN1C[C@H]2[C@H](NC(=O)[C@H]3C[C@H](OC)CN3C(C)=O)[C@H]2C1 961354847 GKGHYHSNXYBACM-AALSBFMBSA-N 319.405 -0.308 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)c3cc[nH]c3)C[C@@H]2O)[nH]1 962340783 JQVWLRXZXLQCRK-OLZOCXBDSA-N 313.317 -0.170 30 20 DBED COCC(=O)N1CC2(C[C@@H](NC(=O)c3c[nH]c(C#N)c3)CO2)C1 965680311 KSKAUGKGHCQESV-GFCCVEGCSA-N 318.333 -0.368 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@@H]1CCNC1=O 969164512 UHJOINXGUXFQIF-ZDEQEGDKSA-N 318.377 -0.126 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)OC)C[C@@H]2O)nc1 969346533 BUMNDYMCTOOMAV-HONMWMINSA-N 317.345 -0.601 30 20 DBED C=CCN1CC([C@@H](C)NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 970243026 RRSXRKXSNYPBLH-SECBINFHSA-N 316.369 -0.070 30 20 DBED N#CCN[C@@H]1CCN(C(=O)COc2cccc(C(N)=O)c2)C1 970782245 MTOQCJFLTOMPJC-GFCCVEGCSA-N 302.334 -0.122 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)c3cncnc3O)[C@H]2C1 976715011 LYHNAVKTKWUKJL-SNXWAXQRSA-N 301.306 -0.472 30 20 DBED CC#CCN1C[C@H](NC(=O)Cn2nc(C)n(C)c2=O)C(C)(C)C1 977536946 FXWFCLBJBUWQAL-ZDUSSCGKSA-N 319.409 -0.260 30 20 DBED N#CCN1C[C@H]2C(CNC(=O)C3CCS(=O)(=O)CC3)[C@@H]2C1 978823427 JHVJCQVWSUJONA-STQMWFEESA-N 311.407 -0.371 30 20 DBED C#CCN1C[C@@H]2C(CNC(=O)[C@H]3COCCN3C(C)=O)[C@H]2C1 979086823 GAFLKPOIUZTQBW-RBSFLKMASA-N 305.378 -0.839 30 20 DBED C=C(C)CN(C)[C@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 980482862 CPWMQRMIEYQMHF-NSHDSACASA-N 306.370 -0.514 30 20 DBED C#Cc1cncc(C(=O)N[C@H]2CCC[C@H](NC(=O)C(N)=O)C2)c1 983706504 YAWBHVJTOGMSAQ-STQMWFEESA-N 314.345 -0.295 30 20 DBED Cc1nn(CC(=O)N[C@H]2CCCN(CC#N)[C@@H]2C)c(=O)n1C 994300108 ZVBUEHFKNHDGLE-PWSUYJOCSA-N 306.370 -0.617 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C2)nc1 997091411 YJXCEKGNABMKHX-NHAGDIPZSA-N 311.341 -0.104 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)c3[nH]nnc3C)C2)cn1 997103827 LLCHTTRCNVBRMX-UHFFFAOYSA-N 310.317 -0.256 30 20 DBED C[C@H](C#N)C(=O)N1CC(CNC(=O)[C@H]2CCCS2(=O)=O)C1 1002280971 UEESIDMERPLWPQ-MWLCHTKSSA-N 313.379 -0.702 30 20 DBED CC(=O)N1CCC[C@@H]1C(=O)NCC1CN(C(=O)C#CC2CC2)C1 1002646402 OHKAXQIMBIQWMW-OAHLLOKOSA-N 317.389 -0.015 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1[C@@H]2CN(C(=O)c3cnon3)C[C@@H]12 1013816759 OTVJZIHEWCIAMN-BFLSOPEQSA-N 318.333 -0.153 30 20 DBED O=C(N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O)c1cncs1 1023141258 XDLATTHXJNHWJE-GHMZBOCLSA-N 305.359 -0.142 30 20 DBED C=CCN1CC[C@@H](NC[C@H]2CCCCN2C(=O)CC(N)=O)C1=O 1024906773 UPARBTKBBKJCBO-CHWSQXEVSA-N 322.409 -0.381 30 20 DBED C=CCCn1cc(C(=O)N2C[C@@H]3CC[C@H](C2)N3CC(N)=O)nn1 1029508143 QCWSTNNARQVBQU-TXEJJXNPSA-N 318.381 -0.372 30 20 DBED C=CCn1cc(C(=O)NC2CN([C@H]3CCN(CC)C3=O)C2)nn1 1031071461 ULHFRNWGJCLOII-ZDUSSCGKSA-N 318.381 -0.501 30 20 DBED C=C(C)CCN1CC(CNC(=O)[C@@H]2CCS(=O)(=O)N2)C1 1032193981 KYLAFHDXEPXXNI-LBPRGKRZSA-N 301.412 -0.308 30 20 DBED C=CCCN1CC[C@H](N(C)C(=O)CN2C(=O)CN(C)C2=O)C1 1033643280 XHHIAELIUPPWIU-LBPRGKRZSA-N 308.382 -0.011 30 20 DBED C=CCn1cc(C(=O)N(CC)[C@H]2CCN(CC(=O)NC)C2)nn1 1033980699 XXKFJPVRHCFUSX-LBPRGKRZSA-N 320.397 -0.254 30 20 DBED C=CCCn1cc(C(=O)NC[C@H]2CN(C[C@H](C)O)CCO2)nn1 1035534519 ADIQSQPYIFVXJF-STQMWFEESA-N 323.397 -0.334 30 20 DBED CC#CCN1CCO[C@@H](CNC(=O)[C@@H]2CCc3nncn3C2)C1 1035610244 VMTBNYQXMZRLTG-KGLIPLIRSA-N 317.393 -0.319 30 20 DBED C[C@H]1CN(C(=O)CN2C(=O)NC(=O)C2(C)C)CC[C@@H]1NCC#N 1036247977 QOFAEHLHNGEWPB-QWRGUYRKSA-N 321.381 -0.333 30 20 DBED C=CCCN1CC[C@@H]1CNC(=O)[C@@H]1CCN(C)S1(=O)=O 1038801673 NNACXFWAAVBOCW-NEPJUHHUSA-N 301.412 -0.213 30 20 DBED CN(C[C@H]1CCCCN1C(=O)C(N)=O)c1cncc(C#N)n1 1039977274 JUWUPRXGZPGCOO-LLVKDONJSA-N 302.338 -0.349 30 20 DBED Cc1ccnc(C(=O)N2CC[C@@](O)(CNC(=O)[C@H](C)C#N)C2)n1 1040763484 PCQLECXFLZZQIT-MEBBXXQBSA-N 317.349 -0.362 30 20 DBED C[C@@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)CCn2ccnc2)C1 1040766890 TWMORWJHQZRWFY-SWLSCSKDSA-N 319.365 -0.488 30 20 DBED CN1CCC[C@H]1C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1O 1040946146 XITLTCVBXXUWBO-FRRDWIJNSA-N 316.365 -0.892 30 20 DBED N#Cc1cncc(N2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CCOC3)C2)n1 1040961128 BTTJKYUGDLATEZ-CYZMBNFOSA-N 317.349 -0.559 30 20 DBED N#Cc1cncc(N2C[C@@H](O)[C@H](NC(=O)c3cccnn3)C2)n1 1041139104 IPUDVMPJKPYZAQ-VXGBXAGGSA-N 311.305 -0.882 30 20 DBED N#Cc1cnc(N[C@H]2C[C@H]3CC[C@H]2N(C(=O)C(N)=O)C3)cn1 1041678807 MYNPSPRAVSTIDF-DVVUODLYSA-N 300.322 -0.375 30 20 DBED C=CCN1CC[C@H]2CCN(C(=O)Cn3ncn(C)c3=O)C[C@@H]21 1042120816 BAVPWSKMEDBZAF-STQMWFEESA-N 305.382 -0.309 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)C[C@@H]2CCC(=O)N2)C1 1042802490 KGSPZPLPCRJCTM-LBPRGKRZSA-N 321.377 -0.852 30 20 DBED CC(=O)NC(C)(C)C(=O)N1CC(O)(CNC(=O)C#CC(C)C)C1 1042937456 IARWYPMSFLBMLG-UHFFFAOYSA-N 323.393 -0.750 30 20 DBED CC[C@@H](C)OCC(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042958935 PKSUPIYYCOFPTP-GFCCVEGCSA-N 308.378 -0.096 30 20 DBED C[C@@H](Cc1cnc[nH]1)C(=O)NCC1(O)CN(C(=O)[C@H](C)C#N)C1 1043226242 SLGDHPPNCYHNDW-WDEREUQCSA-N 319.365 -0.563 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)Cc2ccc[nH]2)C1 1043292926 WFEWMHFOPQOABV-UHFFFAOYSA-N 303.362 -0.094 30 20 DBED Cc1cncc(CC(=O)NCC2(O)CN(C(=O)[C@H](C)C#N)C2)c1 1044063832 DYWDWQBOBWDIRZ-GFCCVEGCSA-N 316.361 -0.218 30 20 DBED C=C1CC(C)(C(=O)N2CC(O)(CNC(=O)[C@H]3CCNC3=O)C2)C1 1044453199 VZFHKHCHTPMFOL-NSHDSACASA-N 321.377 -0.832 30 20 DBED Cn1nnc(C(=O)NC[C@H]2CC3(CCN(CC#N)CC3)CO2)n1 1045676300 FCIPFBMRLBKISY-LLVKDONJSA-N 319.369 -0.665 30 20 DBED N#CCN1CCC2(CC1)CO[C@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)C2 1045681085 YCSCVLDWFCOESW-XQQFMLRXSA-N 320.393 -0.381 30 20 DBED C#CCCN1CC[C@H](N2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)C1 1046063522 QJNOPXPKRODFOP-ZNMIVQPWSA-N 318.421 -0.650 30 20 DBED C=CCN1CC[C@](C)(NC(=O)[C@H]2CCN(C)S2(=O)=O)C1 1046698888 INCSRPZXXVLUMR-YPMHNXCESA-N 301.412 -0.213 30 20 DBED C[C@@H]1CCN(C(=O)C(N)=O)[C@H](CNc2cncc(C#N)n2)C1 1048317703 ZNEQRTIZSGLZTF-KOLCDFICSA-N 302.338 -0.127 30 20 DBED C#CCNC(=O)CC(=O)N(C)[C@H]1CN(C(=O)CC(C)C)C[C@@H]1O 1048709464 ZNPXXQFQJWRITA-STQMWFEESA-N 323.393 -0.798 30 20 DBED CC#CCN1C[C@H]2CN(C(=O)[C@@H]3COCCN3C(C)=O)C[C@H]2C1 1049223080 GJKYLRURPRTYRN-XHSDSOJGSA-N 319.405 -0.353 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)Cc2cccnc2)C[C@@H]1O 1049388049 FGIQEEGRSGJSNR-XBFCOCLRSA-N 316.361 -0.186 30 20 DBED N#CCN1CC[C@H]2[C@H]1CCCN2C(=O)CN1C(=O)CCC1=O 1049889047 MVTJIIXALXFNNK-NEPJUHHUSA-N 304.350 -0.276 30 20 DBED C=CCOCC(=O)N[C@H](C)[C@H]1CCN(C(=O)CC(=O)NC)C1 1050537139 LULXEBMPOFKLOF-NEPJUHHUSA-N 311.382 -0.322 30 20 DBED CC(C)(C)N1C[C@@H](C(=O)NC[C@H]2COCCN2CC#N)CC1=O 1050945795 WPYHMOHDWAAEAK-STQMWFEESA-N 322.409 -0.026 30 20 DBED C[C@@H]1C[C@H](C(=O)N2CCOC3(CN(CC#N)C3)C2)CC(=O)N1 1053322192 WBJFEZABCOZAST-NEPJUHHUSA-N 306.366 -0.662 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)C3CN(C(C)=O)C3)CO2)C1 1053790384 VNFATDONUIBZTG-CQSZACIVSA-N 305.378 -0.553 30 20 DBED CCN1CCO[C@H](C(=O)N[C@@H]2COC3(C2)CN(CC#N)C3)C1 1054014279 KWACNDNPFHCTJR-STQMWFEESA-N 308.382 -0.810 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CC(N)=O 1054526507 BSMYWXODGGOALD-YFKTTZPYSA-N 306.366 -0.093 30 20 DBED C[C@H](C#N)C(=O)N(CCNC(=O)C(N)=O)Cc1ccccc1 1055101349 KGRXBNDEKCERAW-LLVKDONJSA-N 302.334 -0.224 30 20 DBED CC(=O)NCC(=O)N1C[C@H]2CN(C(=O)CSCC#N)C[C@H]2C1 1055130804 XXLTYATXRFHCPN-TXEJJXNPSA-N 324.406 -0.704 30 20 DBED C=CCCC(=O)N[C@]1(CO)CCCN(C(=O)CNC(N)=O)C1 1055821320 FYMWAIFGPYREIG-CQSZACIVSA-N 312.370 -0.909 30 20 DBED N#Cc1cccnc1N1C[C@@H]2C(NC(=O)Cn3cnnn3)[C@H]2C1 1056129441 SHYBTZVPIWJFEQ-QWRGUYRKSA-N 310.321 -0.809 30 20 DBED Cn1cnc(C(=O)N[C@H]2[C@@H]3CN(c4ccnc(C#N)n4)C[C@@H]32)c1 1056185627 HWZNQBUCSLFITK-MSRIBSCDSA-N 309.333 -0.054 30 20 DBED Cn1ncc(C(=O)NC2[C@H]3CN(c4ccncc4C#N)C[C@H]23)n1 1056258410 XTSKWYKSSSQBFS-QWRGUYRKSA-N 309.333 -0.054 30 20 DBED CN(c1cncc(C#N)n1)[C@H]1CCN(C(=O)Cc2nc[nH]n2)C1 1056964006 GXMXYHCJLMZMLH-NSHDSACASA-N 312.337 -0.254 30 20 DBED C#CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)[C@H](CC)OC 1057156606 GCYKFIUCPUQBAB-STQMWFEESA-N 314.382 -0.613 30 20 DBED C=C[C@](C)(O)CC(=O)NCCN(CCO)C(=O)C#CC1CC1 1057531184 IBYZZSILZTUTRP-INIZCTEOSA-N 308.378 -0.336 30 20 DBED C#CCO[C@H](C)C(=O)N(CCO)CCNC(=O)CCCOC 1057583109 HDYVGHMNYLOCJN-CYBMUJFWSA-N 314.382 -0.612 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)[C@H](C)Cc1cnc[nH]1 1057710857 BJWKBZCLYJCBKG-NEPJUHHUSA-N 321.381 -0.315 30 20 DBED C=CCO[C@H](C)C(=O)NCCN(CCO)C(=O)CCN(C)C 1058709353 RSRBUEYGVSCYEU-CYBMUJFWSA-N 315.414 -0.534 30 20 DBED N#Cc1nc(=N[C@H]2C[C@H](NC(=O)c3cnsn3)C2)cc[nH]1 1059156022 NLBBHAUFSNTPNY-ZKCHVHJHSA-N 301.335 -0.005 30 20 DBED N#Cc1ccc(N[C@H]2C[C@@H](NC(=O)[C@H]3COC(=O)N3)C2)nn1 1059625293 QXSWKLQPMBDHME-KXUCPTDWSA-N 302.294 -0.484 30 20 DBED C=CCn1cc(C(=O)N2CCOC[C@H]2CNC(=O)CC)nn1 1061156031 IFPDMHGRKUAQRK-LLVKDONJSA-N 307.354 -0.169 30 20 DBED C=CCCC(=O)N1CCOC[C@H]1CNC(=O)CS(C)(=O)=O 1061380289 HXUGCWIZDXMEEB-LLVKDONJSA-N 318.395 -0.659 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H]1COCCN1C(=O)c1cc[nH]n1 1061584843 NJTZTKOCYKUORI-VXGBXAGGSA-N 320.349 -0.595 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)C1=COCCO1 1061845098 CLDBXGDZCLLVRI-WDEREUQCSA-N 309.322 -0.622 30 20 DBED N#Cc1ccc(N2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2C[C@H]2C(N)=O)cn1 1062580118 FXJJINLSAPVDDP-FQUUOJAGSA-N 311.345 -0.136 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(NC(=O)[C@H]2CCC(=O)N2)CCC1 1062869558 FXKUWWBEPWISNV-IAQYHMDHSA-N 323.393 -0.253 30 20 DBED Cc1cc(C#N)nc(N2CC[C@H]3CCN(C(=O)C(N)=O)C[C@H]32)n1 1064699727 ZQYRPXBSLFYYCX-ZYHUDNBSSA-N 314.349 -0.431 30 20 DBED CC(C)C#CC(=O)N1CCO[C@@H](CNC(=O)c2cnon2)C1 1065129780 VEOAXKOXWCSHGB-NSHDSACASA-N 306.322 -0.314 30 20 DBED Cn1cc(C(=O)N[C@]2(C)CCN(c3cnc(C#N)cn3)C2)nn1 1065248714 WWIAQCBMSGDROY-CQSZACIVSA-N 312.337 -0.124 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H](NC(=O)CCNC(N)=O)CC1 1066161745 NUZHOGDINDJYQN-GHMZBOCLSA-N 309.370 -0.298 30 20 DBED COCC(=O)N1CCC[C@](CO)(Nc2cncc(C#N)n2)C1 1066880132 ZLMPDISSNJUQEQ-AWEZNQCLSA-N 305.338 -0.240 30 20 DBED Cc1ocnc1C(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1 1069901197 SKHRXNBXCVJOHW-MNOVXSKESA-N 301.310 -0.247 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2cnc(O)n2C)C1 1069997845 ZTBIGIXVBMRZRC-PWSUYJOCSA-N 317.353 -0.442 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)c2ncn(C)n2)CCOCC1 1070101896 VTRHDTSUYMOZEH-SNVBAGLBSA-N 320.353 -0.630 30 20 DBED Cn1cnc([C@@H]2CN(C(=O)c3ncn(C)n3)C[C@H]2NCC#N)c1 1070491541 QEFNURFQNFNXPD-CMPLNLGQSA-N 314.353 -0.730 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)c2cc(C)no2)CC1 1070938236 JXASGZUEBLOBNO-UHFFFAOYSA-N 304.350 -0.120 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)[C@@H]2C[C@@H]2C(=O)OC)CC1 1070946194 XFTYGDYXFKYIHL-OLZOCXBDSA-N 323.393 -0.368 30 20 DBED CC(C)(O)CC(=O)N1CCC[C@H](N2CCN(CC#N)CC2=O)C1 1071264544 ZKIYYRWTAXLMTQ-ZDUSSCGKSA-N 322.409 -0.194 30 20 DBED C=CCOCCCC(=O)N1C[C@H](C)[C@@H](NC(=O)CC(N)=O)C1 1071871653 NGMWNZBDFTUFJD-RYUDHWBXSA-N 311.382 -0.192 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(C(=O)CNC(=O)NC)C[C@@H]1C 1072268738 RLOAUGRXPKLAQL-NWDGAFQWSA-N 308.382 -0.318 30 20 DBED Cn1cncc1CC(=O)N1CC[C@H]2OCCN(CC#N)[C@@H]2C1 1074384949 PGOHWQCFQVKAMF-ZIAGYGMSSA-N 303.366 -0.212 30 20 DBED C=CCCC(=O)N1CCC(O)(CNC(=O)C2(C(N)=O)CC2)CC1 1074511720 TZJCGBNSERKEML-UHFFFAOYSA-N 323.393 -0.312 30 20 DBED C[C@@H](CCNC(=O)[C@H]1COC(=O)N1)NC(=O)CSCC#N 1076344306 JCHREEGQKHAVOJ-DTWKUNHWSA-N 314.367 -0.637 30 20 DBED C#CCO[C@@H](C)C(=O)NCC[C@H](C)NC(=O)c1ncn(C)n1 1076507343 DBZROQCSBIFARE-QWRGUYRKSA-N 307.354 -0.522 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2cnc3onc(C)c3c2)C1 1077484243 SNXNRWAANNSFBI-CHWSQXEVSA-N 300.318 -0.061 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)C(=O)N2CCC(C)CC2)C1 1077788536 CAACJWRCFODHJF-ZIAGYGMSSA-N 307.394 -0.571 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CN(C[C@@H](C)OC)C[C@H]2O)nn1 1077801572 XFIRDBWRZWPFKX-NQBHXWOUSA-N 309.370 -0.726 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@H]1CCc2nnc(O)n2C1 1079984969 SBJSPGVQVDEBJO-OUAUKWLOSA-N 304.354 -0.494 30 20 DBED CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)CCn2cncn2)C1 1080411635 PZBOTRGJJAXKCJ-NSHDSACASA-N 304.354 -0.113 30 20 DBED C=C(C)CN1C[C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)[C@H](C)C1 1080959966 YCPSQHVSRKFBCN-IJLUTSLNSA-N 301.412 -0.309 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2cnn(C)c2)C[C@@H]1O 1081344504 QVKFAIFONVPDCC-AAEUAGOBSA-N 322.365 -0.828 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2ccn(C)c2)C1 1081408528 OQCAOJOYOLFWBF-ZIAGYGMSSA-N 321.377 -0.223 30 20 DBED CC(C)C#CC(=O)N1C[C@H](CNC(=O)c2ncn(C)n2)[C@@H](O)C1 1081455218 JXTILUKAYHPHCT-RYUDHWBXSA-N 319.365 -0.976 30 20 DBED Cc1cc(C(=O)N2C[C@@H](O)[C@H](CNC(=O)C#CC3CC3)C2)n[nH]1 1081472401 XVMYAIYEVAWMKL-TZMCWYRMSA-N 316.361 -0.319 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CN2CCC1CC2 1083083589 BCRDLMATUBYXDB-SOUVJXGZSA-N 304.394 -0.237 30 20 DBED CO[C@H]1CCn2cc(C(=O)N[C@@H]3CN(CC#N)C[C@@H]3O)nc2C1 1083564096 OJQDMSKWYWCFAC-LOWVWBTDSA-N 319.365 -0.857 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2cccc(-n3cccn3)n2)C1 1083770686 WAJMPVYSRIJXFC-KGLIPLIRSA-N 311.345 -0.325 30 20 DBED N#Cc1c[nH]c(C(=O)N2C[C@H]3CCN([C@H]4CCNC4=O)C[C@H]32)c1 1084261338 FRMAEZDFXCBCJG-KWCYVHTRSA-N 313.361 -0.079 30 20 DBED CCN(c1ccncc1C#N)[C@H](C)CNC(=O)CNC(N)=O 1089572230 WUSSBJWUECUWPS-SNVBAGLBSA-N 304.354 -0.047 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)Cn2ccc(O)nc2=O)[C@@H](O)C1 1090405241 WLQFSODEEUBGJB-NEPJUHHUSA-N 322.365 -0.924 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(c2cccc(F)n2)C[C@H]1O 1090406583 DYZJOKGWQFDKHM-GHMZBOCLSA-N 320.324 -0.974 30 20 DBED CC#CCN1CC[C@@H](NC(=O)Cc2cc(C)nn2C)[C@H](O)C1 1090427696 NVPDKUVZDHBSSE-HUUCEWRRSA-N 304.394 -0.154 30 20 DBED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(N)=O)[C@H](O)C2)cc1 1090535984 YOBLDULEDTXCBX-CHWSQXEVSA-N 302.334 -0.905 30 20 DBED N#Cc1cccnc1N[C@H]1C[C@H](CNC(=O)Cn2cnnn2)C1 1091426659 YWGSCJHTBZXSTK-UMSPYCQHSA-N 312.337 -0.053 30 20 DBED C[C@H](OC[C@H]1CCCO1)C(=O)NCCN=c1cc[nH]c(C#N)n1 1093692912 JXLZNUOFAJEKJD-NWDGAFQWSA-N 319.365 -0.118 30 20 DBED N#Cc1ccc(NCCNC(=O)C[C@@H]2NC(=O)NC2=O)nc1 1094214018 ASMIWPUIKUMHLN-VIFPVBQESA-N 302.294 -0.921 30 20 DBED C=C(C)CN1CC(n2cc(CNC(=O)c3nnn(C)n3)nn2)C1 1094310046 CTBSRXGONLRDFK-UHFFFAOYSA-N 317.357 -0.836 30 20 DBED C#CCN1CCN(C(=O)/C=C\C2CC2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094616241 XTUZZCNNTXGBBV-MEWZEZIVSA-N 308.403 -0.104 30 20 DBED CC(=O)N[C@H](C)C(=O)N1CC[C@H](N(C)c2cncc(C#N)n2)C1 1095090438 PEYUXKIYCIERIN-MFKMUULPSA-N 316.365 -0.090 30 20 DBED CC(=O)N(C)CC(=O)N1CC[C@@H](N(C)c2ccnc(C#N)n2)C1 1095108980 MBMKGXVBFACODM-GFCCVEGCSA-N 316.365 -0.136 30 20 DBED CC(=O)N[C@H](C)C(=O)N[C@H]1CCCN(c2ccc(C#N)nn2)C1 1096133970 AKSZMUYTAGBKKE-MFKMUULPSA-N 316.365 -0.042 30 20 DBED CS(=O)(=O)CC(=O)N[C@H]1CCCN(c2ccc(C#N)nn2)C1 1096151239 HOVUIBNOGMEUPT-NSHDSACASA-N 323.378 -0.522 30 20 DBED Cc1nc(N2CC[C@H](NC(=O)CNC(N)=O)C2)ccc1C#N 1096321855 BKOFGEIKTIDPEE-NSHDSACASA-N 302.338 -0.375 30 20 DBED CS(=O)(=O)CC(=O)N[C@H]1C[C@@H](N=c2cc[nH]cc2C#N)C1 1097153760 QQHNTBCRGKBOHD-PHIMTYICSA-N 308.363 -0.521 30 20 DBED C=CCNCc1cn([C@H]2CCN(C(=O)Cn3nccn3)C2)nn1 1098679127 SEMPSNPFQYDPPU-ZDUSSCGKSA-N 316.369 -0.381 30 20 DBED C#CCCCC(=O)N[C@H]1CCN(CC(=O)NCC=C)C[C@@H]1O 1099807894 XLURTBSRFUOCMD-KBPBESRZSA-N 307.394 -0.357 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CCN(CC(=O)NC2CC2)C[C@H]1O 1099827271 UQHFEKROGTYJFX-ZIAGYGMSSA-N 305.378 -0.770 30 20 DBED C#CCC1(C(=O)N[C@H]2CCN(CC(=O)N(C)C)C[C@H]2O)CCC1 1099873942 CLXZORMBJAOBBQ-UONOGXRCSA-N 321.421 -0.180 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)C23CCN(CC2)C3)[C@@H](O)C1 1100074159 JTFAFMKEYCUVSX-GJZGRUSLSA-N 323.437 -0.164 30 20 DBED C=CCCOCC(=O)N[C@H]1CCN(Cc2cnnn2C)C[C@@H]1O 1100139657 VFUBEGGIQVDPBD-KBPBESRZSA-N 323.397 -0.541 30 20 DBED CN(CCNC(=O)C[C@H]1CCNC1=O)c1ccc(C#N)nn1 1100193317 BGJQRYZJVTVCGH-SNVBAGLBSA-N 302.338 -0.573 30 20 DBED CN(CCNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccncc1C#N 1100227189 KMPHPSSYWCOJGC-NSHDSACASA-N 322.390 -0.060 30 20 DBED CN1C[C@H](C(=O)NCCN(C)c2nccnc2C#N)CC1=O 1100384073 XYJBCAGVUHMVAF-SNVBAGLBSA-N 302.338 -0.621 30 20 DBED CCN(CCNC(=O)[C@@H](C)NC(C)=O)c1ccnc(C#N)n1 1100434874 RQRYGSKTMCMOQA-SNVBAGLBSA-N 304.354 -0.185 30 20 DBED C#CCNC1CC(CNC(=O)[C@H](CCC)S(N)(=O)=O)C1 1100536227 PUKWFHDCOJHFSN-MCIGGMRASA-N 301.412 -0.439 30 20 DBED CC(=O)N[C@@H](C)C(=O)NC[C@H]1CCN(c2cncc(C#N)n2)C1 1100922055 SPERSUCWVQQMQP-CMPLNLGQSA-N 316.365 -0.185 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H]1CCN(c2cc(C)ncn2)C1 1100974014 MSZJWXDTXBIEJU-CYBMUJFWSA-N 315.377 -0.133 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)Cc1ccc(O)nc1 1101871946 ZICLSBNFDZIHAT-UHFFFAOYSA-N 312.333 -0.016 30 20 DBED C=CCN1C[C@@H](C)[C@H](CNC(=O)CCNS(C)(=O)=O)C1 1102016543 BAIMNKRBRXKLEM-VXGBXAGGSA-N 303.428 -0.204 30 20 DBED CN(CCNc1ncccc1C#N)C(=O)c1nnc(O)nc1O 1102050308 HNOUTAXTMRIBML-UHFFFAOYSA-N 315.293 -0.266 30 20 DBED CN(C(=O)C#CC1CC1)[C@H]1CCN(c2nccn3nnnc23)C1 1102699701 BHHZFQJMEKUNGE-LBPRGKRZSA-N 311.349 -0.030 30 20 DBED N#Cc1cncc(N2CCC[C@H](CCNC(=O)C(N)=O)C2)n1 1102941369 HBWAVTDEDUAFHV-SNVBAGLBSA-N 302.338 -0.444 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H](C)CN=c1cc[nH]c(C#N)n1 1104089395 HGHUOAHUAVEIAP-NEPJUHHUSA-N 301.350 -0.027 30 20 DBED C[C@@H](CNc1nccnc1C#N)N(C)C(=O)Cn1cnnn1 1104447808 ODLAIZKIOGUKFK-VIFPVBQESA-N 301.314 -0.706 30 20 DBED C#CCNCC[C@@H]1CN(C(=O)c2cnc(O)n(C)c2=O)C[C@H]1C 1104476975 YMJBYCVGJVHJOK-VXGBXAGGSA-N 318.377 -0.193 30 20 DBED C#CCNCc1cn(C2CN(C(=O)[C@H]3C[C@H]3C(=O)OC)C2)nn1 1105187577 AVLJGTFDEAJDNA-QWHCGFSZSA-N 317.349 -0.807 30 20 DBED Cc1cc(C#N)nc(N(C)CCN(C)C(=O)[C@@H]2COCCO2)n1 1105339963 YTOFWIUESIWRFC-ZDUSSCGKSA-N 319.365 -0.033 30 20 DBED CN1CCC[C@H]1C(=O)NC[C@@H](O)CNc1cncc(C#N)n1 1105753960 CHVVYSWYCFOACG-RYUDHWBXSA-N 304.354 -0.669 30 20 DBED CN1CC[C@H](C(=O)NC[C@H](O)CNc2nccnc2C#N)C1 1105852899 BTFOCPNZVFLWMK-WDEREUQCSA-N 304.354 -0.811 30 20 DBED CCCN(C)CCC(=O)NC[C@@H](O)CNc1ccc(C#N)nn1 1105917488 JTEQNLLBSJYNCK-ZDUSSCGKSA-N 320.397 -0.031 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](O)CNC(=O)[C@H](C)CC(N)=O)n1 1106060089 NLJZEPYUBDQGTC-KCJUWKMLSA-N 320.353 -0.943 30 20 DBED Cc1cc(C#N)nc(NC[C@H](O)CNC(=O)[C@]2(F)CCOC2)n1 1106073836 ZAXGVXYVHXNLJN-RISCZKNCSA-N 323.328 -0.326 30 20 DBED C[C@H](CCN=c1cc[nH]cc1C#N)NC(=O)CCn1cnnn1 1106418896 UKAZBZKXTUOICQ-LLVKDONJSA-N 314.353 -0.241 30 20 DBED C=CCNC(=O)CNC[C@@H]1CN(C(=O)[C@@H]2CCN(C)C2)C[C@H]1C 1106983050 SIERIUARVPTMFF-RBSFLKMASA-N 322.453 -0.076 30 20 DBED CN1CC[C@H](C(=O)NC/C=C\CNc2nccnc2C#N)C1=O 1107460584 XMWOCMJEEUTWSV-OTDNITJGSA-N 314.349 -0.089 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)CNc1nc(C)cc(C#N)n1 1107695516 JGYRZMDSICZOOK-LLVKDONJSA-N 314.349 -0.287 30 20 DBED CNC(=O)C1(C(=O)N[C@H](C)CNc2cnc(C#N)cn2)CC1 1107829763 OVCDQXHWJXLNAM-SECBINFHSA-N 302.338 -0.209 30 20 DBED CC#CCN1CCO[C@](C)(CNC(=O)CCc2nc[nH]n2)C1 1107854150 AXBSLUWUHFNHSL-OAHLLOKOSA-N 305.382 -0.032 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)C3(COCC)CC3)CC2=O)C1 1108553146 HGHRDKFZSBMFBE-ZDUSSCGKSA-N 319.405 -0.162 30 20 DBED C[C@@H](CN(C)c1cnc(C#N)cn1)NC(=O)[C@H]1COC(=O)N1 1108926337 AWOZAIPJQRRCAA-WCBMZHEXSA-N 304.310 -0.602 30 20 DBED C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCS(C)(=O)=O 1109073109 YXTRHJKPFDDESX-AGIUHOORSA-N 316.423 -0.045 30 20 DBED C[C@H](CN(C)c1cncc(C#N)n1)NC(=O)[C@]1(C)CNC(=O)C1 1109157176 YDMSUCHOGPYYMP-BMIGLBTASA-N 316.365 -0.185 30 20 DBED C[C@H](CN(C)c1cnc(C#N)cn1)NC(=O)[C@@H]1CCC(=O)NC1 1109304508 CIQMVGICVVDJFB-GHMZBOCLSA-N 316.365 -0.185 30 20 DBED CN(CCCNc1ccc(C#N)nc1)C(=O)Cn1cnnn1 1109375070 LYJTUGXVGBYOPW-UHFFFAOYSA-N 300.326 -0.100 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H](NC(=O)Cn1ncnn1)C1CC1 1109917664 LQFXSBXBNXMVAP-CYBMUJFWSA-N 312.337 -0.631 30 20 DBED CNC(=O)CC(=O)N1CCC[C@H]1CN=c1cc[nH]c(C#N)n1 1110539944 TZUGRUJPZBOGSL-JTQLQIEISA-N 302.338 -0.691 30 20 DBED CCOCCC(=O)N(C)[C@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1111174423 KCQACZCXSBENAA-STQMWFEESA-N 319.365 -0.217 30 20 DBED CC(=O)NCC(=O)N1C[C@@H]2CN(c3ccncc3C#N)C[C@@H]2C1 1111286649 SDLSVQNGRDBZFC-OKILXGFUSA-N 313.361 -0.016 30 20 DBED C[C@H]1C[C@@H](NC(=O)CNC(N)=O)CCN1c1ccc(C#N)nn1 1112458225 YGDSDEHFYIJGDK-UWVGGRQHSA-N 317.353 -0.510 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(c2nccnc2F)C[C@H]1O 1112739426 YVPMDNOFXCWRJA-VXGBXAGGSA-N 322.340 -0.431 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)C[C@@](C)(O)C2CC2)CC1 1112770040 ANOWJDPIIXJFMZ-CXAGYDPISA-N 321.421 -0.180 30 20 DBED CC(=O)NCC(=O)N1CCC[C@@H]1CN(C)c1cnc(C#N)cn1 1112778483 MVOUAXKAVIIGOM-CYBMUJFWSA-N 316.365 -0.088 30 20 DBED C#CCNC(=O)CC(=O)N1CCN(CCOCC2CC2)CC1 1112779398 YBKWLCVCEGEIQS-UHFFFAOYSA-N 307.394 -0.303 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 1112987802 YMHBLFDLHMTICJ-GJZGRUSLSA-N 322.453 -0.145 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)CN2CC[C@H](C)C2)CC1 1113345645 APVZLZHHGPGCMV-GJZGRUSLSA-N 320.437 -0.390 30 20 DBED CCC(=O)NCC(=O)NC[C@H](C)N(C)c1cncc(C#N)n1 1113537686 RBUCKZOIILIAHP-JTQLQIEISA-N 304.354 -0.185 30 20 DBED COCC#CCN1CCN(C(=O)COC[C@H]2CCCO2)CC1 1113739151 SUTWNFDHKOUZNE-OAHLLOKOSA-N 310.394 -0.024 30 20 DBED C[C@H](CNC(=O)[C@@H]1CCCNC1=O)N(C)c1nccnc1C#N 1113744198 LORVTTHINZOIDF-GHMZBOCLSA-N 316.365 -0.185 30 20 DBED CCOCCCC(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1113924970 LDSPBCXMPAGQOH-JYAVWHMHSA-N 308.382 -0.511 30 20 DBED C=CCN(CC=C)C(=O)CN1C[C@H]2[C@H](NC(=O)CC(N)=O)[C@H]2C1 1114099016 PLINZIRWKOJZLU-ATCWAGBWSA-N 320.393 -0.891 30 20 DBED COCCC(=O)N1CCO[C@@H]([C@@H](C)N=c2cc[nH]c(C#N)n2)C1 1114628045 HQZXZPPAWZNLOT-VXGBXAGGSA-N 319.365 -0.166 30 20 DBED C=CCOCCN1C[C@@H]2C(NC(=O)[C@H]3CCC(=O)N3C)[C@H]2C1 1114727381 VIQLSCYUJBDPOF-RWMBFGLXSA-N 307.394 -0.144 30 20 DBED CC[C@H](NC(C)=O)C(=O)NC1[C@H]2CN(CC#CCOC)C[C@H]12 1114871770 HRRQAVULYLSLQQ-IHRRRGAJSA-N 307.394 -0.403 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)Cc3ccc[nH]3)[C@H]2C1 1115267699 JCGMJCORJFAIAM-VIKVFOODSA-N 300.362 -0.647 30 20 DBED N#C[C@@]1(F)CCN(C(=O)C(=O)NCc2cccc(C(N)=O)c2)C1 1117037907 NOQATTZDFPATEG-HNNXBMFYSA-N 318.308 -0.134 30 20 DBED CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@](O)(CC#N)C1 1118152555 NMMULFDWFXODGC-CZUORRHYSA-N 322.409 -0.146 30 20 DBED CCc1cc(C(=O)NC[C@@H](CO)N=c2cc[nH]c(C#N)n2)no1 1121838685 JTFCSZIKWHOVHR-VIFPVBQESA-N 316.321 -0.477 30 20 DBED CN1CC[C@@H](C(=O)NC[C@H](CO)Nc2ncccc2C#N)C1=O 1122430494 OQGWGFLXNRSYJK-NEPJUHHUSA-N 317.349 -0.679 30 20 DBED C[C@@]1(C(=O)NC[C@@H](CO)Nc2ncccc2C#N)CCC(=O)N1 1122487198 GJYHIOYDZMHXEP-NHYWBVRUSA-N 317.349 -0.489 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@H](CO)Nc1nccc(C)n1 1122769998 ODLPVKSGRVBARD-KBPBESRZSA-N 317.393 -0.228 30 20 DBED CNC(=O)CC(=O)N1C[C@@H](Nc2cnc(C#N)cn2)C[C@@H]1C 1123203801 RHGGZPUTQSTHHR-UWVGGRQHSA-N 302.338 -0.114 30 20 DBED COC(=O)NCC(=O)N1C[C@@H](N=c2cc[nH]c(C#N)n2)C[C@H]1C 1123213198 JVROOZDWIIXFAT-ZJUUUORDSA-N 318.337 -0.473 30 20 DBED C=CCCC(=O)NCCN[C@@H](C)C(=O)N1CCC(C(N)=O)CC1 1124651316 RWCRXHVPHCKHHN-LBPRGKRZSA-N 324.425 -0.229 30 20 DBED COCCCNC(=O)CNCCNC(=O)c1cc(C#N)c[nH]1 1125390984 MHKXSYFRYMZGLL-UHFFFAOYSA-N 307.354 -0.642 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)C[C@H](C)SC 1125872586 KRZWLOXBSKDYSY-JTQLQIEISA-N 316.427 -0.154 30 20 DBED C#CCNC(=O)CC(=O)NCc1cnn2c1CN(CC#C)CC2 1128312335 NVIAAGPLXKOIIT-UHFFFAOYSA-N 313.361 -0.912 30 20 DBED C=C(C)CCC(=O)NCCNCC(=O)N1CCC[C@@H](C(N)=O)C1 1128414289 XNEQSRSKMWVXDX-CYBMUJFWSA-N 324.425 -0.228 30 20 DBED C=C(Cl)CNCCNC(=O)[C@H]1CC(=O)N(CCOC)C1 1128651324 UDCGGZNTAVKJLK-NSHDSACASA-N 303.790 -0.060 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)CCCCC(N)=O)C1 1129384933 CARUWTKTZZWVMT-OLZOCXBDSA-N 318.381 -0.702 30 20 DBED COCC1(CC(=O)N2C[C@H](n3ccnn3)[C@H](NCC#N)C2)CC1 1129824858 FJSRQTIDZFYWMD-OLZOCXBDSA-N 318.381 -0.040 30 20 DBED C[C@@H](C#N)C(=O)NCc1c[nH]nc1[C@@H]1CCN(CC(N)=O)C1 1130364892 KIMGLGRFYLJNFJ-VHSXEESVSA-N 304.354 -0.540 30 20 DBED CN(C)C(=O)CC(=O)NCc1c[nH]nc1[C@@H]1CCN(CC#N)C1 1130431367 WLWOTVAZDLXOEL-LLVKDONJSA-N 318.381 -0.183 30 20 DBED C#CCCCC(=O)N1C[C@@H](NCC(N)=O)[C@H](c2cn(C)cn2)C1 1130578377 KBFZFIPHZSMSAE-GXTWGEPZSA-N 317.393 -0.407 30 20 DBED C=CCOCC(=O)N1C[C@@H]2C[C@@H]3CN(C[C@H](C)O)C[C@]2(C1)O3 1131213477 FTGJSNUOBXYVLP-TTZDDIAXSA-N 310.394 -0.129 30 20 DBED C=CCNC[C@H]1CN(C(=O)CNS(=O)(=O)NC)CC[C@@H]1C 1133010741 AHOJJXLSZSSORY-RYUDHWBXSA-N 318.443 -0.700 30 20 DBED C=C(Cl)CNCCNC(=O)c1cn(C)c(=O)n(C)c1=O 1134665455 MUQSEMWVDWTWET-UHFFFAOYSA-N 300.746 -0.844 30 20 DBED CC(C)c1nccn1CCC(=O)NCCNCC(=O)NCC#N 1134723375 GKXIXEWIQVVAGR-UHFFFAOYSA-N 320.397 -0.258 30 20 DBED COCC1(C(=O)N[C@H](C)C[C@@H](C)NCC(=O)NCC#N)CC1 1134974451 JTLAOFJREFEROP-VXGBXAGGSA-N 310.398 -0.074 30 20 DBED C#CCCN[C@@H](C)C[C@H](C)NC(=O)CCn1ncn(C)c1=O 1135070098 IHEHGRNPBMKLKW-STQMWFEESA-N 307.398 -0.132 30 20 DBED C#CCOCCC(=O)N1CC2(CCN(Cc3cn(C)nn3)C2)C1 1147534604 JGMJWDXUBWEAAH-UHFFFAOYSA-N 317.393 -0.111 30 20 DBED CCS(=O)(=O)N[C@H](C)C(=O)N1CC2(CCN(CC#N)C2)C1 1147611008 PQRJRLXYLMSZHC-LLVKDONJSA-N 314.411 -0.628 30 20 DBED C#CCCN1CCC2(C1)CN(C(=O)CNS(=O)(=O)CC)C2 1147658393 RVSWSIXOQZWWON-UHFFFAOYSA-N 313.423 -0.517 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@H](CC(C)C)NC(C)=O 1148472388 KATWPQUKWWWMDV-ZDUSSCGKSA-N 312.414 -0.455 30 20 DBED C#CCNC(=O)CN1CCCO[C@H](CNC(=O)[C@@H](C)C2CC2)C1 1149473741 PBCJGKHOETVCKB-DZGCQCFKSA-N 321.421 -0.011 30 20 DBED C=CCN1CCCO[C@H](CNC(=O)[C@@H](C)NS(C)(=O)=O)C1 1150380423 UQXMPSIXUHYUMA-VXGBXAGGSA-N 319.427 -0.683 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)[C@@H](COC)OC 1155105892 ZFJJADWBMWPXTJ-VXGBXAGGSA-N 314.386 -0.886 30 20 DBED C=CCOCC(=O)NCCCNCCNS(=O)(=O)CC 1155712915 VZYUQFWUDBMLDV-UHFFFAOYSA-N 307.416 -0.776 30 20 DBED O=C(C#CC1CC1)NCCCNCC(=O)NC[C@@H]1CCOC1 1157689847 MZDOEBFKSGKQBA-AWEZNQCLSA-N 307.394 -0.352 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)CCc1cnc[nH]1 1159540672 VLMOLQXYNFWWER-LBPRGKRZSA-N 305.382 -0.424 30 20 DBED N#CCNC(=O)CNCCCNC(=O)[C@@H]1CCCn2nccc21 1161255966 GEBVOCAOHWWHBW-GFCCVEGCSA-N 318.381 -0.504 30 20 DBED C=CCNCCCC[C@@H](C)NC(=O)Cn1ccc(=O)n(C)c1=O 1171121194 QWOPTTVKLGFVNE-CYBMUJFWSA-N 322.409 -0.002 30 20 DBED C=CCN1CCO[C@H]2CCN(C(=O)CS(=O)(=O)NC)C[C@@H]21 1177169816 FKXABSYLAOQJPW-RYUDHWBXSA-N 317.411 -0.977 30 20 DBED CCN(CCC#N)C(=O)CNCCCNC(=O)c1nonc1C 1177443562 GVWGELVKUUZSEI-UHFFFAOYSA-N 322.369 -0.150 30 20 DBED C=C(C)CN[C@H]1CCN(C(=O)CNS(=O)(=O)NC)[C@H]1C 1179244826 GEZZVBYJMGCCNT-QWRGUYRKSA-N 304.416 -0.805 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)[C@@H](COC)OC)[C@H]1C 1179502928 GXZBXJHQTLRHFJ-RWMBFGLXSA-N 313.398 -0.471 30 20 DBED C#CCNC(=O)CNC[C@]1(C)CN(C(=O)CCOC)C[C@H]1C 1180339071 MGGBCQIYHUEAHF-CZUORRHYSA-N 309.410 -0.154 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](C)[C@](C)(CNCc2nnnn2C)C1 1180912954 CZRZHKGDVFJLMV-MISXGVKJSA-N 305.386 -0.056 30 20 DBED N#CCNC(=O)CN[C@@H]1CCN(C(=O)CCc2ncc[nH]2)C1 1182204902 VMGAOGOTDMMPDA-LLVKDONJSA-N 304.354 -0.827 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@@H](NCC(=O)NC(=O)NCC)C1 1182505142 QQHTYIXFVFUCJP-NWDGAFQWSA-N 324.381 -0.939 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)Cc2cnc(C)o2)C1 1183229788 PKRFOEWNEVOFFX-DGCLKSJQSA-N 318.377 -0.146 30 20 DBED C#CCCN[C@@H]1CCN(C(=O)c2ccc(-n3cnnn3)cn2)C1 1184527700 NZVQVSZEPMRPLE-GFCCVEGCSA-N 311.349 -0.115 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@H]1CN(C(C)=O)CC12CCOCC2 1186212460 LGVDYUYYUFZEHB-ZFWWWQNUSA-N 321.421 -0.011 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@@H](N(C)Cc2nc(O)n[nH]2)C1 1190105634 POEJNBMVSIWSME-WDEREUQCSA-N 307.354 -0.419 30 20 DBED CN(CC(=O)NCC#N)[C@H]1CCN(C(=O)[C@@]23COC[C@@H]2C3)C1 1190260627 VKFKHQFSWDQXQM-HUBLWGQQSA-N 306.366 -0.805 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(Cc2ncnn2C(C)C)C[C@H]1O 1191807133 KFFWIHSULQPMLS-CHWSQXEVSA-N 323.397 -0.277 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)c2n[nH]cc2C)C1 1192731650 NRWSAGWRNPQMGU-IJLUTSLNSA-N 321.381 -0.816 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)c2cc[n+]([O-])cc2)CC1 1194725260 BJQODVFFWDKFOL-UHFFFAOYSA-N 318.377 -0.230 30 20 DBED C#CCNC[C@@H]1CN(C(=O)c2cccn3nnnc23)CCCO1 1200590990 UHIBAVRWIKWAKR-GFCCVEGCSA-N 314.349 -0.422 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)[C@H](C)NC(=O)CC)CC1 1200711474 VVORVJVNFXMVJW-LBPRGKRZSA-N 324.425 -0.216 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)CCCCC(N)=O)CC1 1203254860 CUJAQEXCGMZRGV-UHFFFAOYSA-N 322.409 -0.638 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)c2ncccn2)C1 1210263434 CHWVRRYYEMFDOK-CHWSQXEVSA-N 315.377 -0.191 30 20 DBED C=CCN1C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)CC)[C@H](OC)C1 1212308722 HBJXKIGZXIHNJA-QJPTWQEYSA-N 319.427 -0.684 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](NCC(=O)NC2CCOCC2)[C@H](C)C1 1214343767 FNGAQFDEFRGYNX-OUCADQQQSA-N 322.409 -0.122 30 20 DBED C#CCN[C@@H]1CN(C(=O)CNC(=O)c2ccccn2)C[C@H]1C 1216823055 LOJNPLWNGRYFSU-TZMCWYRMSA-N 300.362 -0.119 30 20 DBED CCCc1noc(CN2C[C@H](O)[C@H](NC(=O)[C@@H](C)C#N)C2)n1 1219379178 OAKCSZSAFSWOSM-AXFHLTTASA-N 307.354 -0.157 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CN(CC(=O)NCc2ccco2)C[C@@H]1O 1219379337 RMRVEHKMBYRCMX-RTXFEEFZSA-N 320.349 -0.783 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CN(Cc2noc(C3CC3)n2)C[C@@H]1O 1219383228 HHSICLPETPRZAO-IEBDPFPHSA-N 305.338 -0.232 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(Cc2nccc(C)n2)C[C@@H]1O 1219527322 LYOKFVZHPOSQTI-WWGRRREGSA-N 320.393 -0.227 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)Cc2cnn(C)c2C)C1 1219769399 VYUCROZTQOZITJ-CABCVRRESA-N 320.393 -0.918 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)COCCCOC)C1 1220710706 YUUVCEHHWXCSPQ-NEPJUHHUSA-N 306.790 -0.047 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@@H](C)NC(=O)c2ccccc2)C1 1220912625 OCYLIOPNQSCPCG-YUELXQCFSA-N 315.373 -0.401 30 20 DBED C=CCN1CC[C@@H]2CN(C(=O)CNC(=O)Cn3cncn3)[C@@H]2C1 1222044121 PMOXZITYXKRKFS-CHWSQXEVSA-N 318.381 -0.887 30 20 DBED C#CCO[C@H](C)C(=O)NCC1CCN(CC(=O)N(C)C)CC1 1223183218 VGRHXDDSKLZTRR-CYBMUJFWSA-N 309.410 -0.059 30 20 DBED C#CCCN1CCC(CNC(=O)C[C@@H]2NC(=O)NC2=O)CC1 1223495686 VVRMKRKIEAJURY-LBPRGKRZSA-N 306.366 -0.564 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@@H]1CN(C)C(=O)c1ccon1 1230888490 BNPPOMNLRPWREW-VXGBXAGGSA-N 304.350 -0.041 30 20 DBED C=C[C@](C)(O)CC(=O)N(C)C[C@H]1CCN1Cc1nnnn1C 1233976599 GZHAWDBZBVYYBN-RISCZKNCSA-N 308.386 -0.430 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C[C@@H]1CCN1CCn1cncn1 1234267379 YKMRONJIKLEQPN-KBPBESRZSA-N 305.382 -0.151 30 20 DBED C=CCCN1CC[C@@H]1CN(C)C(=O)Cn1ccc(=O)n(C)c1=O 1235003008 FMYMVDKNOQUNGN-CYBMUJFWSA-N 320.393 -0.344 30 20 DBED CN(CCC#N)C(=O)C(=O)Nc1ccc(OCC(N)=O)cc1 1256706074 QMUSGVJJOYMLNX-UHFFFAOYSA-N 304.306 -0.139 30 20 DBED C#CCSCCNC(=O)C(=O)NCCC(=O)OC(C)C 1256914204 KZXXUTFFCNPIFQ-UHFFFAOYSA-N 300.380 -0.073 30 20 DBED C=CCOCCNC(=O)C(=O)N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1261582540 VWNPVKXJZWJWOM-QWRGUYRKSA-N 320.411 -0.415 30 20 DBED C#CCN(C)c1nnc(C2CCN(S(N)(=O)=O)CC2)n1C 1262865680 UFPWJYYVQJIWDM-UHFFFAOYSA-N 312.399 -0.733 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)OCc2csnn2)C1=O 1318169726 HXKYPWNQOFFAIL-UHFFFAOYSA-N 310.291 -0.442 30 20 DBED CCOC(=O)C[C@H](C)NC(=O)C(=O)Nc1cnn(CC#N)c1 1320723680 SXRFJVCGBJNXPZ-VIFPVBQESA-N 307.310 -0.197 30 20 DBED CC#CCCNC(=O)C(=O)Nc1cc(C)n(CC(=O)NC)n1 1321671727 ABSDQFKKRWVFCW-UHFFFAOYSA-N 305.338 -0.594 30 20 DBED N#CC1(NC(=O)CN2CCC3(CC2)NC(=O)NC3=O)CCC1 1324488257 AQIFGQGBFYBXCD-UHFFFAOYSA-N 305.338 -0.777 30 20 DBED Cn1c(NN=C2C(=O)NC(=O)NC2=O)nnc1-c1ccccc1 1326194736 WQYDFBMHKDIXRW-UHFFFAOYSA-N 313.277 -0.384 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N[C@@H]1C[C@H](OCC)[C@@H]1OC 1329832249 AILIXLPFHYVGKD-FRRDWIJNSA-N 314.382 -0.044 30 20 DBED C#CCO[C@H](C)c1nc(-c2cn(CCO)c(=O)nc2O)no1 1334873789 PFORMDADRRYFEK-MRVPVSSYSA-N 306.278 -0.298 30 20 DBED C=CCCOCCn1nnnc1N1CC[C@@H]2OCC(=O)N[C@H]2C1 1337262335 RCYYIEIHOJOJRF-RYUDHWBXSA-N 322.369 -0.641 30 20 DBED C=C[C@H](COC)NC(=O)CCn1cc(S(N)(=O)=O)cn1 1342776516 FATGVQRSBDFJMX-SECBINFHSA-N 302.356 -0.762 30 20 DBED Cn1cc([C@@H](O)C(=O)N(CCC#N)CCN2CCOCC2)cn1 1361977877 KUTSMMNRGQFFSZ-CQSZACIVSA-N 321.381 -0.472 30 20 DBED Cc1cc(NC(=O)Cn2cc(C#N)c(O)nc2=O)cn(C)c1=O 1362226990 BWPPVBOQGOPCTF-UHFFFAOYSA-N 315.289 -0.534 30 20 DBED C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC(O)(CC#N)C1 1362627810 QZCUZUOUBJKMLI-ZJUUUORDSA-N 313.354 -0.253 30 20 DBED N#Cc1cn(CCC(=O)N2CCC[C@H](C#N)C2)c(=O)nc1O 1363550113 BQAMHAWDDKQMMA-SNVBAGLBSA-N 301.306 -0.027 30 20 DBED N#Cc1ncn(CC(=O)N2CC(CNC(=O)C(F)(F)F)C2)n1 1363705324 SBBCPOYRKICDQG-UHFFFAOYSA-N 316.243 -0.713 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)NC[C@H]1CCS(=O)(=O)C1 1363926882 KRWIPNNUXASJOJ-VHSXEESVSA-N 309.413 -0.653 30 20 DBED CN(CCC(=O)N(C)CCC#N)Cc1nnc2c(=O)[nH]ccn12 1364480720 UJXAJLTVDUCMJT-UHFFFAOYSA-N 317.353 -0.388 30 20 DBED Cc1cc(NC(=O)CN(C)CCNC(=O)[C@@H](C)C#N)n(C)n1 1366518132 IBHIKWSOCNLHKI-JTQLQIEISA-N 306.370 -0.125 30 20 DBED CC(=O)NCC(=O)N1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@H]1C 1370833737 YJAFOWRCUQBVJX-BXKDBHETSA-N 317.349 -0.258 30 20 DBED COCCN(CCNC(=O)c1ccn(C)n1)C(=O)[C@H](C)C#N 1371133343 ALVGWSOCLHVFOL-LLVKDONJSA-N 307.354 -0.215 30 20 DBED C[C@@H](CNC(=O)[C@@H](C)C#N)NC(=O)c1ccn(CCN(C)C)n1 1373076614 WHJHVJIYDXSZMM-RYUDHWBXSA-N 320.397 -0.161 30 20 DBED CCc1cc(C(=O)N(C)C[C@@H](O)CNC(=O)[C@H](C)C#N)n[nH]1 1384190831 YCZINHOAXMHPTM-KOLCDFICSA-N 307.354 -0.319 30 20 DBED Cc1nnc2n1C[C@@H](C(=O)N1CC(NC(=O)[C@@H](C)C#N)C1)CC2 1389399768 CZGMNXXISWBHOK-ONGXEEELSA-N 316.365 -0.364 30 20 DBED C=C(Cl)CN[C@H](C)CNC(=O)c1c[nH]nc1S(N)(=O)=O 1402994082 BTHPRCAKTJWYNT-SSDOTTSWSA-N 321.790 -0.483 30 20 DBED C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)N(C)Cc1nc(=O)n(C)[nH]1 1403120227 SHYYRRFZGBGRSB-VIFPVBQESA-N 317.353 -0.442 30 20 DBED CC(=O)N1CCC[C@@H]1C(=O)N1CC[C@H](NC(=O)[C@@H](C)C#N)C1 1407767603 JRPMRFCKEKCACQ-WCFLWFBJSA-N 306.366 -0.126 30 20 DBED CN(C[C@@H](O)C1CC1)C(=O)CCn1cc(C#N)c(O)nc1=O 1412647143 RIGCPHOFTDMYPK-LLVKDONJSA-N 306.322 -0.560 30 20 DBED C[C@H](C#N)C(=O)NCCN(C)C(=O)C1CCS(=O)(=O)CC1 1415600017 VPEVUUUFUMEBJR-SNVBAGLBSA-N 315.395 -0.455 30 20 DBED Cn1c(C#N)ccc1C(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 1416917404 CZNUDNFESZUVAZ-SNVBAGLBSA-N 310.379 -0.092 30 20 DBED C=C(Cl)CNC1(CNC(=O)CN2CCOCC2=O)CC1 1423233635 XBKGTEKFWDCRDY-UHFFFAOYSA-N 301.774 -0.164 30 20 DBED C[C@H](CNC(=O)Cn1cncn1)N(C)C(=O)c1c[nH]c(C#N)c1 1424318998 WMIGPUDVYDKRST-SNVBAGLBSA-N 315.337 -0.245 30 20 DBED COC(=O)NCC(=O)NC[C@H]1CCN1C(=O)c1ccc(C#N)[nH]1 1432011227 CQFQZYYWQZBDDS-SNVBAGLBSA-N 319.321 -0.427 30 20 DBED COCCN(CCNC(=O)Cn1nccc1C)C(=O)[C@@H](C)C#N 1444962114 SFTOWNUUHRRLGT-LBPRGKRZSA-N 321.381 -0.058 30 20 DBED CCN1C[C@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@H](C)C#N)C2)CC1=O 1454329595 VWOGBMJIVRPJBU-DDHJBXDOSA-N 306.366 -0.222 30 20 DBED COC(=O)C1(C#N)CCN(C(=O)NC[C@@H]2COCCO2)CC1 1468141977 SBDDFCSUXZNWHG-LLVKDONJSA-N 311.338 -0.110 30 20 DBED CN(C[C@@H](O)CNCc1ccc(C#N)s1)C(=O)c1cnn[nH]1 1486287839 GGHQURYRXQKNJJ-VIFPVBQESA-N 320.378 -0.039 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]1CN(C)C(=O)CN1CCCC1=O 1489710615 BDRTWIZAVCZDAB-RYUDHWBXSA-N 306.366 -0.172 30 20 DBED CCC[C@@H](NC(N)=O)C(=O)N[C@H]1C[C@@H](CNC(=O)[C@H](C)C#N)C1 1489846693 VXKYHCRRKVJPDN-WISYIIOYSA-N 323.397 -0.006 30 20 DBED C[C@H](C#N)C(=O)N1CCN(CCNC(=O)c2cnsn2)CC1 1524068510 NBWKBJBCVDBWQN-SNVBAGLBSA-N 322.394 -0.428 30 20 DBED COc1c[nH]c(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H](C)C#N)C2)cc1=O 1525129944 KSGBJMYQVNFSRX-GUBZILKMSA-N 318.333 -0.080 30 20 DBED C#CCN1CCCN(C(=O)[C@H]2CCCN(CC(=O)O)C2=O)CC1 1573328080 ZXXWVWQPZZXJQL-CYBMUJFWSA-N 321.377 -0.523 30 20 DBED C=CCOC[C@H](NC(=O)[C@H]1CCc2nnc(O)n2C1)C(=O)O 1573368414 DJKMOPULGKUSNV-IUCAKERBSA-N 310.310 -0.682 30 20 DBED C[C@H](OCc1cnn[nH]1)C(=O)NC1(CNC(=O)[C@H](C)C#N)CC1 1575176928 IVVVCAHBYBIDCQ-ZJUUUORDSA-N 320.353 -0.366 30 20 DBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)CCN 1576252658 RABGVPQXTDHIGA-JTQLQIEISA-N 310.379 -0.358 30 20 DBED CCOC(=O)[C@@H]1C[C@H]1C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[nH]1 1578249547 MBBGKRXUJKGCSE-PHDIDXHHSA-N 316.281 -0.401 30 20 DBED N#Cc1cn(C2CN(C(=O)C3=CC[C@@H](N)C3)C2)c(=O)nc1O 1580080954 MQGRVFVQFTXWMN-SNVBAGLBSA-N 301.306 -0.749 30 20 DBED C#C[C@@H](NC(=O)N1C[C@H]2COC[C@@]2(C(=O)O)C1)[C@H]1CCCO1 1588385729 HCCFHYNWTGQHTK-YFCNSXCBSA-N 308.334 -0.090 30 20 DBED C=C(C)C[C@@H](CO)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cn1 1588404175 DVKLAGZUQRSNOP-JTQLQIEISA-N 324.366 -0.133 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)[C@@H]1C[C@@H]1C(=O)O 1590926919 LQUJWOZDPXEVAB-NEPJUHHUSA-N 310.350 -0.696 30 20 DBED N#CCNC[C@H]1CCCN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1 1592678714 LWFVFPJKEBWPGE-SECBINFHSA-N 300.326 -0.087 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N1C[C@@H](O)C[C@@H](C(=O)O)C1 1596231470 OHWWCNZHVPBUIH-MXWKQRLJSA-N 319.383 -0.520 30 20 DBED N#CCN(CC(=O)O)C(=O)C1CCC2(CC1)NC(=O)NC2=O 1601070348 ZULGYXIJZKXERC-UHFFFAOYSA-N 308.294 -0.808 30 20 DBED N#Cc1cccc(S(=O)(=O)CCN2CC[C@@](O)(C(=O)O)C2)c1 1601121167 GJENFENAGYWDFM-AWEZNQCLSA-N 324.358 -0.147 30 20 DBED CC(=NNCCCN1CCOCC1)c1cn(CC(=O)O)nn1 1602736799 BOHMIWMJPLSEKC-UHFFFAOYSA-N 310.358 -0.601 30 20 DBED CC[C@H](C(=O)O)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1604874303 WHGKBMCZCBCRBY-HOTUBEGUSA-N 300.336 -0.506 30 20 DBED N#Cc1cc(CNC(=O)[C@H]2CCCN(CC(=O)O)C2=O)ccn1 1605591843 CHYRDUDVXSCLTA-GFCCVEGCSA-N 316.317 -0.107 30 20 DBED Cn1ccnc1[C@H]1CNCCN1C(=O)Cn1cnc(C#N)n1 1647255840 HYGHAQDRKJJJOU-SNVBAGLBSA-N 300.326 -0.944 30 20 DBED C[C@H](C#N)C(=O)NCCCN(C1CC1)[C@H](C)C(=O)NC(N)=O 1752247207 NACLVZMFPNLVNP-NXEZZACHSA-N 309.370 -0.300 30 20 DBED Cc1nnccc1C(=O)NC[C@@H]1CCCN1CC(=O)NCC#N 1753105104 ZTLISMHNTYXGAG-LBPRGKRZSA-N 316.365 -0.381 30 20 DBED COCC#CCN1[C@H]2CC[C@H]1CN(C(=O)[C@@H]1CCCNC1=O)C2 1753307525 XIWXKUPCZSAUSS-SOUVJXGZSA-N 319.405 -0.162 30 20 DBED C#CCNC(=O)CN1CC[C@H](N(C)C(=O)Cn2ccnc2C)C1 1753449743 MPLALBXEQARDJE-AWEZNQCLSA-N 317.393 -0.526 30 20 DBED C=CCNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)c1cncc(F)c1 1753908947 PQPNMKBLJYUQAJ-MFKMUULPSA-N 324.356 -0.408 30 20 DBED C=CCCNC[C@H](O)CNC(=O)c1ccnc2c1CC(=O)N2 1753917247 KOOOHJWHKUGQDN-JTQLQIEISA-N 304.350 -0.167 30 20 DBED C[C@H](CNCC(=O)NCC#N)NC(=O)[C@H](C)c1cccnc1 1754248940 CMVBTRDDKHNQAC-VXGBXAGGSA-N 303.366 -0.081 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@H](C)NC(=O)c1cn2c(n1)CCC2 1754267081 VYJIMALVZRZJBT-NWDGAFQWSA-N 317.393 -0.325 30 20 DBED N#CCNC(=O)CN1C[C@H]2C[C@H]1[C@H]2NC(=O)c1cc(Cl)no1 1754430589 QIVNIOKCBUROIS-LWINAJNOSA-N 323.740 -0.230 30 20 DBED C#CCN1CCC(N(CC#C)C(=O)c2cn(C)c(=O)n2C)CC1 1754643050 JEAKWKPIYNMHSR-UHFFFAOYSA-N 314.389 -0.103 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@](C)(NC(=O)c2nc[nH]n2)C1 1754681120 AQGZPMJULDKDTQ-YGRLFVJLSA-N 304.354 -0.863 30 20 DBED C#CCNC(=O)CN1CC(O)(CNC(=O)Cc2occc2C)C1 1754774485 OVEKPABMCXDACP-UHFFFAOYSA-N 319.361 -0.957 30 20 DBED COCC#CCN(C)CCCN(C)C(=O)[C@@H]1CCCNC1=O 1755039548 UGAHETAMPHCDJW-CQSZACIVSA-N 309.410 -0.057 30 20 DBED C#CCN(C)C[C@H]1CCCN1C(=O)CCCN1C(=O)CNC1=O 1755200192 HUYLOVZKPPPJHJ-CYBMUJFWSA-N 320.393 -0.126 30 20 DBED C#CCNC(=O)CN1CC(CCO)(NC(=O)CCC2CC2)C1 1755332302 VWLVETIQAKGWJF-UHFFFAOYSA-N 307.394 -0.521 30 20 DBED C=CC(C)(C)C(=O)NC1(CCO)CN(Cc2nnn(C)n2)C1 1755335686 RGWIJOAFRPQWAN-UHFFFAOYSA-N 308.386 -0.525 30 20 DBED C#CCCN1CC([C@@H](C)NC(=O)CNS(=O)(=O)CC)C1 1755378460 GMYYLLNWGQNBGV-LLVKDONJSA-N 301.412 -0.615 30 20 DBED C=CCCCN[C@@H](CO)CNC(=O)c1ccn2nnnc2c1 1755635063 SAJXXFJQQFLOBN-GFCCVEGCSA-N 304.354 -0.229 30 20 DBED COCC#CCN1CCC[C@@H](NC(=O)CNC(=O)OC)[C@H]1C 1755713971 GGFWSHAIULIGDK-CHWSQXEVSA-N 311.382 -0.039 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@H](O)CN(C)C(=O)C1CCCC1 1755770720 XSLCEXHIDQLLGL-JSGCOSHPSA-N 309.410 -0.277 30 20 DBED C[C@@H](CNC(=O)CSCC#N)N(C)C(=O)CCNC(N)=O 1756006327 QCDQFGVRLYMRPK-VIFPVBQESA-N 315.399 -0.735 30 20 DBED C#Cc1ccc(C(=O)N2C[C@H](O)[C@H](NC(=O)CCOC)C2)nc1 1757149918 BPWYLXSXUXHYFP-KGLIPLIRSA-N 317.345 -0.599 30 20 DBED CC[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC#N)[C@H]2C1 1786362057 HDVOOJJBDDCAKG-CYDGBPFRSA-N 309.366 -0.349 30 20 DBED C[C@H](NC=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC#N 1795421796 HLQUGGBDZGZIOO-FMSGJZPZSA-N 322.365 -0.986 30 20 DBED Cn1nncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CC#N 1795460452 XWQQKYODOITGDF-JGPRNRPPSA-N 302.338 -0.019 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(O)nc1)C2 1800453612 GFGPBTWISAUQII-JJLQDPRZSA-N 315.329 -0.376 30 20 DBED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CN(C)C1 1801561804 ZNRCRMPXSZYZCR-MIFYACCESA-N 319.405 -0.449 30 20 DBED COCCCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C#CC(=O)O 1847477900 WWSJJBWTXSPXGD-RYUDHWBXSA-N 308.334 -0.297 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C1CN(C)C1 1847803181 JRLOVZPHJXZHJB-SNPRPXQTSA-N 319.405 -0.212 30 20 DBED C=CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C#CC(=O)O 1847809264 ALPIGOAMNBONTN-AGIUHOORSA-N 320.345 -0.133 30 20 DBED N#Cc1ccc(OCC(=O)N2CCN(CC(N)=O)CC2)cc1 53945625 YQXGFCDCZUMHMA-UHFFFAOYSA-N 302.334 -0.433 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)Nc2nnc(C)s2)C1=O 198781530 KBZIHRXLSJFLTH-UHFFFAOYSA-N 309.307 -0.238 30 20 DBED C#CCNC(=O)[C@@H](C)Sc1n[nH]c(=O)n1C[C@H]1CCCO1 253489291 DTHRYYLGFWTJEC-NXEZZACHSA-N 310.379 -0.020 30 20 DBED C#C[C@H](C)NC(=O)C(=O)N1C[C@@H](C(=O)NC)Oc2ccccc21 275932246 IMNVVICIPIVLNT-GWCFXTLKSA-N 315.329 -0.336 30 20 DBED CC(C)NS(=O)(=O)NCC/N=C(\N)Nc1ccccn1 277165535 BLLSDOMIWJZCPX-UHFFFAOYSA-N 300.388 -0.359 30 20 DBED COC(=O)COCC(=O)N1CCN(c2cc(C#N)ccn2)CC1 287058184 KPNGAOWBSRRGEM-UHFFFAOYSA-N 318.333 -0.209 30 20 DBED C=C[C@@H](CO)NC(=O)NCCS(=O)(=O)N1CCSCC1 290955681 HEAFIMMBMZAUBG-JTQLQIEISA-N 323.440 -0.789 30 20 DBED C[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccc(C#N)c(F)c1 291403828 WQSGOBBIIHDOAJ-MRVPVSSYSA-N 304.281 -0.017 30 20 DBED C#CCN(C)CCCNC(=O)C(=O)Nc1cncnc1OC 293475926 VEVOFKHNSBEYTR-UHFFFAOYSA-N 305.338 -0.505 30 20 DBED C#CCOc1ccccc1NC(=O)C(=O)N1CC(=O)N[C@@H](C)C1 296108392 HZIXLIMUXIUQAP-NSHDSACASA-N 315.329 -0.016 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H]2CCCN2CC)C1=O 299613244 ZCJFBFVIEGZRED-LLVKDONJSA-N 322.365 -0.436 30 20 DBED O=S1(=O)CCCN1C/C(O)=N/[C@@H](CO)CN1CCCCC1 329482293 WCIHEVYGJADZRW-GFCCVEGCSA-N 319.427 -0.175 30 20 DBED CCN(C[C@@H](C)C#N)C(=O)CN1CC[C@H](S(N)(=O)=O)C1 330471460 NUZOVJUZDWULRE-QWRGUYRKSA-N 302.400 -0.643 30 20 DBED CC(C)[C@](C)(C#N)NC(=O)CN1CCC(S(N)(=O)=O)CC1 330504542 FCNWZUIEHJUVIT-ZDUSSCGKSA-N 316.427 -0.206 30 20 DBED CC(C)[C@H](C/N=C(/O)N1CCO[C@@H](CO)C1)N1CCOCC1 331170064 HYAXPYSVWGFICF-KGLIPLIRSA-N 315.414 -0.050 30 20 DBED CC1(C)C[C@]1(C#N)NC(=O)CN1CCN(S(C)(=O)=O)CC1 332104445 CNDQLNLQXAURPM-CYBMUJFWSA-N 314.411 -0.628 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)NC[C@@H]1CCCS1(=O)=O 337764509 LXTYIZNMBZMLOC-ZJUUUORDSA-N 309.413 -0.368 30 20 DBED C=CCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](C(N)=O)C1 337833271 AUTIEILUCQMSTD-SNVBAGLBSA-N 322.369 -0.707 30 20 DBED C[C@@H]1CN(C(=O)C(=O)NCc2cccc(C#N)c2)C[C@H](CO)O1 340146658 DYJDRUPRBCHBOL-BXUZGUMPSA-N 317.345 -0.217 30 20 DBED CN(CCC#N)S(=O)(=O)NCCCN1CCC[C@H]1C(N)=O 341217902 JBSKZWOWOTVWLG-NSHDSACASA-N 317.415 -0.994 30 20 DBED N#C[C@H]1CSCCN1C(=O)CN1CCS(=O)(=O)CC1 342077957 UIBSFGQEOVQEBA-JTQLQIEISA-N 303.409 -0.816 30 20 DBED CNC(=O)CNC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 342773082 BWGZYNNLPKUMRU-UHFFFAOYSA-N 324.362 -0.727 30 20 DBED CC(=O)NC[C@@H]1CN([C@@H](C)C(=O)NC2(C#N)CCC2)CCO1 346244918 MQPSPLXTAFKTEI-WCQYABFASA-N 308.382 -0.226 30 20 DBED C=CCN1C(=O)C(=O)N(CC2(CS(C)(=O)=O)CC2)C1=O 347858035 JZSCBYHWAWQASC-UHFFFAOYSA-N 300.336 -0.212 30 20 DBED C=CCOC[C@H]1NC(=O)N(CC2CCS(=O)(=O)CC2)C1=O 348493776 LBKSJSAPRDCGQO-LLVKDONJSA-N 316.379 -0.066 30 20 DBED C=C(C)CN(C)C(=O)C(=O)N[C@H](CC)C(=O)N1CCOCC1 360200770 TXYTZWAIONJRKW-GFCCVEGCSA-N 311.382 -0.226 30 20 DBED CCO[C@@H]1C[C@H](NC(=O)NCC(=O)NCC#N)[C@]12CCCO2 376523762 WUKWIOVINZTKQK-MISXGVKJSA-N 310.354 -0.348 30 20 DBED C=CCn1c(O)nnc1S(=O)(=O)CCCC(=O)N(C)C 429912150 ZOCNTMGUMDBLFW-UHFFFAOYSA-N 302.356 -0.188 30 20 DBED COC(=O)CC1(CS(=O)(=O)N2CCN(CC#N)CC2)CC1 437239802 WDSVNPWRIBVROK-UHFFFAOYSA-N 315.395 -0.199 30 20 DBED CNC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(C#N)cc1Cl 440086307 GHZKLNXYUGZVAQ-SECBINFHSA-N 317.754 -0.403 30 20 DBED COC(=O)Cn1cc(CNc2nccc(C#N)c2[N+](=O)[O-])nn1 441956346 SDBHPWCLHKGLNL-UHFFFAOYSA-N 317.265 0.238 30 20 DBED C#CCN1CCN(C(=O)CN2CCO[C@]3(CCO[C@H]3C)C2)CC1 491046262 PDWQYHYASLPSLL-DOTOQJQBSA-N 321.421 -0.356 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2c(O)cccc2O)CC1 491126052 KCHOQLCFPZZAEX-UHFFFAOYSA-N 317.345 -0.395 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2cnc(S)[nH]2)CC1 491697346 ZVGWWBZZUHBEFC-UHFFFAOYSA-N 307.379 -0.794 30 20 DBED COc1cc(C#N)ccc1NC(=O)C(=O)N[C@H]1CNC(=O)C1 527389669 SINRPXWQYVTUEZ-SECBINFHSA-N 302.290 -0.490 30 20 DBED CCOC(=O)[C@H]1CCCN(S(=O)(=O)N2CC(C#N)C2)C1 590089611 RAIMQLPECZQLFP-NSHDSACASA-N 301.368 -0.038 30 20 DBED C=CCOC[C@@H](NC(=O)c1ccn2nnnc2c1)C(=O)OC 597607631 YRSJCIVUZKRORQ-SNVBAGLBSA-N 305.294 -0.402 30 20 DBED C=CCCSCCNC(=O)Cn1cc(S(N)(=O)=O)cn1 597971840 IPEDVFVRCPBZQF-UHFFFAOYSA-N 318.424 -0.044 30 20 DBED CN(C)S(=O)(=O)N1CCN(Cc2cccc(C#N)n2)CC1 602440333 IJPHJXUKLSDYIW-UHFFFAOYSA-N 309.395 -0.123 30 20 DBED C[C@H](C(=O)N(C)CCC#N)n1cc(CN2CCN(C)CC2)nn1 603191124 XPNSJWADMYTXNH-CYBMUJFWSA-N 319.413 -0.041 30 20 DBED COC(=O)CNC(=O)[C@H](C)N1CCN([C@@H](C#N)C(C)C)CC1 609537537 AJRZKWKJKOSQRT-STQMWFEESA-N 310.398 -0.170 30 20 DBED CN(C)c1ncncc1NC(=O)C(=O)N1CC[C@](F)(C#N)C1 615629804 UBZHAONRGWKAAP-ZDUSSCGKSA-N 306.301 -0.055 30 20 DBED C[C@@H](C#N)N(CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)C1CC1 661557916 CJIKUOMVLSAXQK-QMMMGPOBSA-N 305.338 -0.775 30 20 DBED C#CCCCS(=O)(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 710227412 SBDHZQKHPWKERT-NSHDSACASA-N 308.425 -0.257 30 20 DBED Cc1ccc2c(c1)C(=O)N(CC(=O)OCC(=O)NCC#N)C2=O 731238589 CCMIBYXFXXKLIC-UHFFFAOYSA-N 315.285 -0.226 30 20 DBED C[C@@H](O)CN(C)C(=O)C(=O)NCCNc1ncccc1C#N 787776055 SRFKLAGVSJHBTD-SNVBAGLBSA-N 305.338 -0.679 30 20 DBED COC(=O)[C@@H]1CCN(C(=O)C(=O)Nc2cnn(CC#N)c2)[C@H]1C 787914188 MIZHJOFFNCNDJC-GXSJLCMTSA-N 319.321 -0.245 30 20 DBED CCNS(=O)(=O)[C@@H]1CCN(S(=O)(=O)CC(C)(C)C#N)C1 790041742 BWALJSKLTFVCJF-SNVBAGLBSA-N 323.440 -0.120 30 20 DBED COc1ccc([C@H](O)CNC(=O)NCC(=O)NCC#N)cc1 807551676 BSIKSHKEZGQPDU-GFCCVEGCSA-N 306.322 -0.332 30 20 DBED C=CCOCCOC(=O)C1=NC=CN2CCS(=O)(=O)N=C12 815170821 CBSPYZPBXPRCAV-UHFFFAOYSA-N 313.335 -0.298 30 20 DBED CC(C)C#CC(=O)N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 825089441 CSCWFNAZVQKQIP-QWHCGFSZSA-N 314.407 -0.740 30 20 DBED N#Cc1cc(-c2nn[nH]n2)c(SCc2nc(O)n[nH]2)nc1N 826383453 AZWFPLJYNYTNNG-UHFFFAOYSA-N 316.310 -0.168 30 20 DBED C#CC[C@@H](NS(=O)(=O)c1cn(C)c(Cl)n1)C(=O)OC 841540148 IXZRIDMJDNJORZ-SSDOTTSWSA-N 305.743 -0.083 30 20 DBED C#CC1(O)CN(C(=O)CC2CCN(S(C)(=O)=O)CC2)C1 890526740 WHKVWLMIXKNISF-UHFFFAOYSA-N 300.380 -0.745 30 20 DBED C#CC1(O)CN(S(=O)(=O)c2ccc(C(=O)OC)s2)C1 908229043 KSVXLLRIUGQSAH-UHFFFAOYSA-N 301.345 -0.097 30 20 DBED C#CCN1CCN(C(=O)CN2CCO[C@@H]3COCC[C@@H]32)CC1 933970807 OMZIWKNZKTZZTR-LSDHHAIUSA-N 307.394 -0.747 30 20 DBED O=C(NC[C@H]1CCCN1C(=O)C#CC1CC1)[C@H]1COCCO1 944007856 QALIYABMBCSRTR-ZIAGYGMSSA-N 306.362 -0.078 30 20 DBED N#CCN1CCOC2(CCN(C(=O)[C@H]3CCNC(=O)C3)CC2)C1 949340593 UZILSIHSKKRYEA-ZDUSSCGKSA-N 320.393 -0.270 30 20 DBED N#Cc1cc(C(=O)N2C[C@@H]3CCC[C@H](C2)N3C(=O)C(N)=O)c[nH]1 952701564 FAFDOOJSCXBNQX-TXEJJXNPSA-N 315.333 -0.423 30 20 DBED CN(C(=O)Cn1ccccc1=O)C1CN(C(=O)C#CC2CC2)C1 954254392 WPRWYHCIOZHNNO-UHFFFAOYSA-N 313.357 -0.069 30 20 DBED CN(C(=O)C[C@@H]1CCNC1=O)C1CN(C(=O)C#CC2CC2)C1 954463770 OELZYPNSEMLSFY-LBPRGKRZSA-N 303.362 -0.405 30 20 DBED C=C(C)CN1CCN(C(=O)CN2CCS(=O)(=O)CC2)CC1 957641950 IHRBMUWSRIAHLP-UHFFFAOYSA-N 315.439 -0.563 30 20 DBED CC#CCN1C[C@@H](O)[C@H](CNC(=O)c2ccn(CCOC)n2)C1 958248055 DQIXLIGDKIPMRA-UKRRQHHQSA-N 320.393 -0.425 30 20 DBED C=CCN1C[C@H]2[C@H](NC(=O)[C@@H]3CC(=O)N(CCOC)C3)[C@H]2C1 960167903 QKZDBDSASNWVHA-CXTNEJHOSA-N 307.394 -0.286 30 20 DBED N#CCN1CC[C@@H]([C@@H]2CCCN(C(=O)Cn3cnnn3)C2)C1 961099954 HSJPSPREAHPMDM-CHWSQXEVSA-N 303.370 -0.243 30 20 DBED C#CCN1C[C@H]2C(NC(=O)c3ccc4c(c3)C(=O)NC4=O)[C@@H]2C1 962340788 IJDZOKLUZQSHHN-CHWSQXEVSA-N 309.325 -0.137 30 20 DBED Cc1cc(C(=O)NC[C@@H]2COCCN2C(=O)[C@H](C)C#N)n[nH]1 964095203 TZSVGNLHCGRACK-MWLCHTKSSA-N 305.338 -0.165 30 20 DBED Cc1cc(C(=O)NC[C@@H]2COCCN2C(=O)[C@@H](C)C#N)nn1C 964114107 NPWQPHSQYDPCSL-CMPLNLGQSA-N 319.365 -0.155 30 20 DBED Cc1nc[nH]c1C(=O)NC[C@@H]1COCCN1C(=O)[C@@H](C)C#N 964255185 UZGIELYKMKDHIS-GXSJLCMTSA-N 305.338 -0.165 30 20 DBED CCn1cc(C(=O)NC[C@@H]2COCCN2C(=O)[C@H](C)C#N)nn1 964326734 MCYHCHKDOSIBNJ-GHMZBOCLSA-N 320.353 -0.585 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1COC2(C1)CN(C(=O)CC)C2 965735230 HVUIVVVMTBLWMK-KBPBESRZSA-N 319.405 -0.020 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(C[C@@H](NC(=O)c3n[nH]cc3F)CO2)C1 965801253 MRMUFDDGRQWLTN-DTWKUNHWSA-N 321.312 -0.192 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(C[C@@H](NC(=O)c3ccnnc3)CO2)C1 965830078 SAFNJONFMMZLNS-CMPLNLGQSA-N 315.333 -0.264 30 20 DBED C[C@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 966681884 KXFFYUZKDPXJNT-GZMMTYOYSA-N 313.321 -0.105 30 20 DBED Cc1cncn1CC(=O)N[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1O 968947363 XRIKYFZYZNODCB-JLLWLGSASA-N 305.338 -0.961 30 20 DBED C=CCN1CC([C@@H](C)NC(=O)c2c[nH]nc2S(N)(=O)=O)C1 970403251 AZHDVDIVBLNOSI-MRVPVSSYSA-N 313.383 -0.707 30 20 DBED CN(CC#N)[C@@H]1CCN(C(=O)CCc2nnc(O)nc2O)C1 971853870 KJJVUKHRNCWFTQ-SECBINFHSA-N 306.326 -0.728 30 20 DBED N#CCN1CCO[C@@]2(CCN(C(=O)c3cncnc3O)C2)C1 972428975 STSTWRPIHXQUQD-AWEZNQCLSA-N 303.322 -0.377 30 20 DBED Cn1cnc(C(=O)N[C@H]2C[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)n1 973190844 RDVIHLYZHGBSLZ-MGCOHNPYSA-N 313.321 -0.294 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)c3cnn[nH]3)C2)nc1 973436107 NSBIGUUDJSJFBG-XYPYZODXSA-N 310.317 -0.128 30 20 DBED CN(C)C(=O)CN1C[C@H]2[C@H](CNC(=O)c3cc(C#N)c[nH]3)[C@H]2C1 977973503 HOHNEJXVTLRALS-XYYAHUGASA-N 315.377 -0.118 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCCN([C@@H]3CCC(=O)NC3=O)C2)C1 981671746 GLOYYYIMBWFTDP-VXGBXAGGSA-N 318.377 -0.124 30 20 DBED N#Cc1ccc(C(=O)N2CC3(CCCN(CC(N)=O)C3)C2)[nH]1 981719231 YXKWCCRNFKIJGQ-UHFFFAOYSA-N 301.350 -0.090 30 20 DBED C=C(C)CN1CCCN(C(=O)c2cn(C)c(=O)n(C)c2=O)CC1 982067418 XWCRITMJKARPTO-UHFFFAOYSA-N 320.393 -0.192 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2CCN(C(=O)COC)C2)nn1 982353098 MNWKSLWOUYWBMV-NSHDSACASA-N 307.354 -0.311 30 20 DBED CN1CCOC[C@@H]1C(=O)NC[C@@H]1CCN(C(=O)C#CC2CC2)C1 982742159 LMHQEQZDCCFHSK-LSDHHAIUSA-N 319.405 -0.305 30 20 DBED C#CCN(C)C1CCN(C(=O)CN2CCCS2(=O)=O)CC1 985459354 KJIXVIRPJPSIAV-UHFFFAOYSA-N 313.423 -0.422 30 20 DBED C#CCN1CC[C@@]2(NC(=O)C[C@@H]3NC(=O)NC3=O)CCC[C@@H]12 991099803 JNTLFYLIHKXHQA-RWSFTLGLSA-N 304.350 -0.669 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(NC(=O)c2cnnn2C)C1 991106667 XVEYGYJETUMTMN-AAEUAGOBSA-N 319.365 -0.263 30 20 DBED C=CCCn1cc(C(=O)NC2CN(C(=O)c3ncc[nH]3)C2)nn1 991980489 ZKAHMHHKKKLMDR-UHFFFAOYSA-N 315.337 -0.168 30 20 DBED CC#CCN1CC[C@@]2(NC(=O)[C@@H]3CC(=O)NC(=O)N3)CCC[C@H]12 992289968 LUMKGHJXMKLFGE-MKBNYLNASA-N 318.377 -0.279 30 20 DBED N#CCN1CC[C@]2(NC(=O)CN3C(=O)CCC3=O)CCC[C@@H]12 992464127 KNWWLAHRHSHLRM-IAQYHMDHSA-N 304.350 -0.228 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC(NC(=O)C[C@@H]3CCNC3=O)C2)c1 993450055 PKJYRWAXVRXBDC-JTQLQIEISA-N 315.333 -0.647 30 20 DBED N#Cc1ccc(C(=O)N2CC(NC(=O)c3cncnc3O)C2)[nH]1 994427634 APHKNOVGKPVOER-UHFFFAOYSA-N 312.289 -0.364 30 20 DBED C[C@@]1(C(=O)NC2CN(C(=O)c3c[nH]c(C#N)c3)C2)CNC(=O)C1 996262589 YIJNJLHBXKVGTN-HNNXBMFYSA-N 315.333 -0.647 30 20 DBED Cn1nnnc1CN1CCC(NC(=O)c2cc(C#N)c[nH]2)CC1 1002551572 OKXYLNATUWRYHT-UHFFFAOYSA-N 314.353 -0.196 30 20 DBED C[C@@H](C#N)C(=O)N1CC([C@@H](C)NC(=O)c2ccc(O)nn2)C1 1005643494 VCCUVOCRJIMHON-DTWKUNHWSA-N 303.322 -0.081 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnon3)C2)C1 1007706666 POZHTDCEYLPEAU-YGRLFVJLSA-N 319.321 -0.327 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2C(CNC(=O)c3cnn(C)c3N)[C@@H]2C1 1008964318 FOYFMWPKLQEZNY-ZHAHWJHGSA-N 316.365 -0.404 30 20 DBED C=CCCN1CCC[C@H](NC(=O)c2cn(CC(N)=O)nn2)C1 1009631458 CMGZYUAIERDORR-NSHDSACASA-N 306.370 -0.466 30 20 DBED C[C@H]1C[C@@H](CNC(=O)c2nnn(C)n2)CN1C(=O)C#CC1CC1 1010157083 FVGVVPXHPDPQOI-JQWIXIFHSA-N 316.365 -0.410 30 20 DBED N#Cc1cc(C(=O)N2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)c[nH]1 1011028170 RQEYJOPVMGQNQB-NEPJUHHUSA-N 315.333 -0.708 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(C(=O)Cc2nc[nH]n2)CC1 1012576703 HMUMLGUUVYHXMQ-NEPJUHHUSA-N 319.365 -0.391 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2C(NC(=O)c3ccc(C(N)=O)[nH]3)[C@H]2C1 1013808956 YIYSIPNXKDSZMJ-VGMNWLOBSA-N 315.333 -0.540 30 20 DBED C[C@H](C#N)C(=O)N1CC=C(CNC(=O)[C@@H]2COCCO2)CC1 1017305422 LHKRFUJMIWFPKF-YPMHNXCESA-N 307.350 -0.164 30 20 DBED C[C@@H](C#N)C(=O)N1CC=C(CNC(=O)[C@@H]2CN(C)C(=O)N2)CC1 1017623621 WTJZSHVGDBJVMV-JQWIXIFHSA-N 319.365 -0.555 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H](NCC(=O)N3CCC3)C2)nn1 1019483320 NZUYLTQYHPZOEH-LBPRGKRZSA-N 318.381 -0.500 30 20 DBED C[C@H](C#N)C(=O)N1CCCO[C@@H](CNC(=O)c2cnn(C)n2)C1 1019623403 YYRIRMDJJJFUEI-MNOVXSKESA-N 320.353 -0.678 30 20 DBED C[C@H](C#N)C(=O)N1CCCO[C@@H](CNC(=O)c2cnon2)C1 1019655174 IGINQUUPOZAQST-ZJUUUORDSA-N 307.310 -0.423 30 20 DBED Cn1[nH]c(CN[C@H]2C[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)nc1=O 1021980941 CQEAUFXLRQLSHT-AOOOYVTPSA-N 315.337 -0.641 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]2CN(C(=O)c3cn(C)c(O)n3)C[C@H]21 1022566540 GOIXYQCMOFTOEN-JFGNBEQYSA-N 317.349 -0.042 30 20 DBED CC(=O)N1CCO[C@@H](C(=O)NC[C@H]2CCCN(CC#N)C2)C1 1023728635 AFMXNDHIGZQVQF-ZIAGYGMSSA-N 308.382 -0.415 30 20 DBED C=CCCn1cc(C(=O)NC[C@H]2CCCN2CC(N)=O)nn1 1028192321 KEFMPQPIILIIIC-LLVKDONJSA-N 306.370 -0.466 30 20 DBED C=CCN1CC[C@H](N2CC[C@@H](CNC(=O)c3cnn[nH]3)C2)C1=O 1028652888 GRZXWABHNOJYCP-AAEUAGOBSA-N 318.381 -0.357 30 20 DBED C#CCCN1CC[C@H](N(CC)C(=O)c2nnc(O)nc2O)C1 1033883245 LZLNNTZXDGKGNA-JTQLQIEISA-N 305.338 -0.158 30 20 DBED Cn1cc(C(=O)N2CC[C@H]3[C@@H](CCN3CC#N)C2)c(O)nc1=O 1036893248 OCKXQOFFUGYLJY-JQWIXIFHSA-N 317.349 -0.454 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCN1Cc1cn(C)nn1 1038366864 KAVBBQRGQKCLAW-GJZGRUSLSA-N 316.409 -0.397 30 20 DBED CC(C)(C)C#CC(=O)NC[C@@]1(O)CCN(C(=O)c2nc[nH]n2)C1 1039692568 ZIEHLYUHUPXSHD-HNNXBMFYSA-N 319.365 -0.453 30 20 DBED N#CCSCC(=O)N1CC[C@](O)(CNC(=O)c2cc[nH]c2)C1 1040082621 SWCZPLXNFGJTLG-AWEZNQCLSA-N 322.390 -0.035 30 20 DBED C=CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)COCC)C1 1041317046 ADQKOSKUGRTSHN-LLVKDONJSA-N 300.355 -0.697 30 20 DBED C[C@@H](C#N)C(=O)N1CCCO[C@H](CN=c2cc[nH]c(C#N)n2)C1 1041483634 UBOMBUKLVYSJQO-NWDGAFQWSA-N 314.349 -0.041 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]3C=C[C@H]2O3)C1 1041963729 YMNQQTQRJTZHCR-JHJVBQTASA-N 306.362 -0.014 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)[C@H]2C[C@H]3C=C[C@H]2O3)C1 1042801288 JGXQHNGKJKQOCB-HZSPNIEDSA-N 318.373 -0.177 30 20 DBED C=CCn1cc(C(=O)NCC2(O)CN(C(=O)CCC)C2)nn1 1043104790 BYJADTYXBBVWSO-UHFFFAOYSA-N 307.354 -0.433 30 20 DBED CO[C@@H]1CC[C@H](C(=O)NCC2(O)CN(C(=O)C#CC3CC3)C2)C1 1043638983 GPYIBXHFTLPSJP-UONOGXRCSA-N 320.389 -0.096 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)[C@H]2CC[C@@H]2C(N)=O)C1 1044464557 QAFPRLZATCFOGU-QWRGUYRKSA-N 323.393 -0.600 30 20 DBED N#CCN1CC[C@@H](N2CCN(C(=O)c3cc[n+]([O-])cc3)CC2)C1 1045999186 GBXOBEBHEAUATO-OAHLLOKOSA-N 315.377 -0.324 30 20 DBED C=CCN1CC[C@H](N2C[C@H](O)[C@@H](N(C)C(=O)[C@@H]3C[C@H]3C)C2)C1=O 1047485618 UTWDVQFYHCDYAK-MRLBHPIUSA-N 321.421 -0.067 30 20 DBED C#CCOCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cc[nH]c2)C1 1048958157 SNOJSNBPAQGOTI-KBPBESRZSA-N 319.361 -0.302 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[C@H]2C)C1 1049171239 AVDYJDFUCXUIDD-POQQGIQPSA-N 308.378 -0.289 30 20 DBED C=CCOCC(=O)N1CC[C@H]([C@H](C)NC(=O)Cn2cnnn2)C1 1050296347 DEENHMCENWHGNW-RYUDHWBXSA-N 322.369 -0.771 30 20 DBED C=CCOCC(=O)N1CC[C@H]([C@@H](C)NC(=O)CNC(N)=O)C1 1050297554 NLZJRQDEIRKYPH-MNOVXSKESA-N 312.370 -0.790 30 20 DBED CC#CCN1CCOC[C@H]1CNC(=O)c1cc(C(N)=O)cn1C 1051002988 JZSYHWYDEWDARW-CYBMUJFWSA-N 318.377 -0.422 30 20 DBED Cc1nonc1CN1CC2(C1)CN(C(=O)[C@H](C)C#N)CCO2 1053191098 LYRFEHLUVBCFRQ-SNVBAGLBSA-N 305.338 -0.049 30 20 DBED O=C(C#CC1CC1)N1CCOC2(CN(CCn3cncn3)C2)C1 1053251074 WWPOPGHELPDNJL-UHFFFAOYSA-N 315.377 -0.395 30 20 DBED Cn1cnc(C(=O)NC[C@@H]2CCC3(CN(CC#N)C3)O2)cc1=O 1053614158 SIMURJMQTXDTNB-NSHDSACASA-N 317.349 -0.733 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)[C@@H]3CCCN3C(N)=O)CO2)C1 1054024273 KKIPJGIURMQRMB-STQMWFEESA-N 320.393 -0.488 30 20 DBED C[C@H]1CN(C(=O)CCc2nnc(O)nc2O)C[C@@H]1NCC#N 1054848409 XCSIATVGTDZTPC-WPRPVWTQSA-N 306.326 -0.825 30 20 DBED C=CCC(C)(C)C(=O)NC1CCN(CCNC(=O)C(N)=O)CC1 1055628834 IHYMKMWJTCVYAW-UHFFFAOYSA-N 324.425 -0.229 30 20 DBED CN1CCOC[C@@H]1C(=O)N1CCN(c2nccnc2C#N)CC1 1055753750 BBAFNXXSTMLPKP-CYBMUJFWSA-N 316.365 -0.673 30 20 DBED C=CCCC1(C(=O)N2CCC[C@@](CO)(NC(=O)C(N)=O)C2)CC1 1056088596 VCFXISBXRIEDLU-MRXNPFEDSA-N 323.393 -0.312 30 20 DBED CC(=O)N(C)CC(=O)N1CCC[C@@](CO)(NC(=O)[C@@H](C)C#N)C1 1056093840 OCXOQJSBCZSNTC-XHDPSFHLSA-N 324.381 -0.906 30 20 DBED Cn1cc(C(=O)N[C@H]2[C@@H]3CN(c4nccnc4C#N)C[C@@H]32)cn1 1056133453 AIYXAXJVPFFIKC-PJXYFTJBSA-N 309.333 -0.054 30 20 DBED N#Cc1ccc(N2CCCN(C(=O)[C@@H]3CNC(=O)N3)CC2)nn1 1057216363 PMXCOWVDDKQPFG-NSHDSACASA-N 315.337 -0.932 30 20 DBED N#Cc1nccnc1N[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 1057759997 DWLLZARRHBVQSU-MXWKQRLJSA-N 314.349 -0.127 30 20 DBED Cc1ncc(CC(=O)N(CCO)CCNC(=O)C#CC2CC2)o1 1057872979 XAQWTIYECHZFCU-UHFFFAOYSA-N 319.361 -0.124 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)CCn1ccnc1 1058199366 NJXVPAXLTAIMRP-UHFFFAOYSA-N 324.381 -0.587 30 20 DBED C=CCCCC(=O)N(CCO)CCNC(=O)[C@@H](C)CC(N)=O 1058626677 UMFAGISZNKBCKL-LBPRGKRZSA-N 313.398 -0.209 30 20 DBED N#Cc1cncc(N[C@H]2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)n1 1059066967 LZGSMHZZYKJILE-GDPRMGEGSA-N 300.322 -0.518 30 20 DBED N#Cc1nccnc1N[C@H]1C[C@H](NC(=O)[C@H]2CCNC(=O)C2)C1 1059184922 WJPFYRNSZJPDKY-DCAQKATOSA-N 314.349 -0.066 30 20 DBED CC(=O)N1CC(C(=O)N[C@H]2C[C@@H](Nc3ccc(C#N)nn3)C2)C1 1059615348 JBGHAQUPSDBXEY-BETUJISGSA-N 314.349 -0.114 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](CCNC(=O)C(N)=O)C1 1060420831 WDBDLMSRQNCCOU-UTUOFQBUSA-N 309.366 -0.582 30 20 DBED N#Cc1ccc(NC[C@H]2CCN(C(=O)Cn3ncnn3)C2)nc1 1060927173 JJVHARDRVMNRNX-GFCCVEGCSA-N 312.337 -0.100 30 20 DBED C#CCNC(=O)CC(=O)N1CCOC[C@H]1CNC(=O)[C@@H](C)CC 1061313524 GKWUAUVUJNREMV-QWHCGFSZSA-N 323.393 -0.484 30 20 DBED C=CCCC(=O)NC[C@@H]1COCCN1C(=O)[C@H]1CCCC(=O)N1 1061410428 PXURPQGYNXRKNV-CHWSQXEVSA-N 323.393 -0.035 30 20 DBED C#CCCCC(=O)N1CCOC[C@H]1CNC(=O)c1cnnn1C 1061545986 IYZIGAYTJYAPSK-GFCCVEGCSA-N 319.365 -0.424 30 20 DBED C=CC(C)(C)C(=O)NC[C@H]1COCCN1C(=O)c1nc[nH]n1 1061752621 ITWOWSXUHOUBFZ-JTQLQIEISA-N 307.354 -0.026 30 20 DBED C=CC(C)(C)C(=O)NC[C@H]1COCCN1C(=O)Cn1cncn1 1061755890 UFHFVLOWVZFLPI-LBPRGKRZSA-N 321.381 -0.166 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)Cc1cncnc1 1061849032 YGRHRLOVSWNDKT-DGCLKSJQSA-N 317.349 -0.478 30 20 DBED Cn1cnc(C(=O)NC2(CNC(=O)CSCC#N)CCC2)n1 1062579403 LVAOVRSZUBOZFX-UHFFFAOYSA-N 322.394 -0.159 30 20 DBED N#Cc1ccc(N2CC[C@@]3(CCN(C(=O)CC(N)=O)C3)C2)nn1 1064610018 OYQWDQZCXVJLMV-OAHLLOKOSA-N 314.349 -0.348 30 20 DBED C=CCOCC(=O)N1CCO[C@@H](CNC(=O)CCN(C)C)C1 1064972142 QJTPEERRURQNQG-ZDUSSCGKSA-N 313.398 -0.516 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CN(C(=O)c2ccc(O)nc2)CCO1 1065608271 IZKYTPVOWZOGQN-JQWIXIFHSA-N 318.333 -0.096 30 20 DBED C=CCOCC(=O)N1CCC[C@H](NC(=O)[C@H]2CCC(=O)N2)CC1 1065984309 YZUNDEBPVAJAQJ-QWHCGFSZSA-N 323.393 -0.035 30 20 DBED C=CCOCC(=O)N[C@@H]1CCCN(C(=O)C2(C(N)=O)CC2)CC1 1065987784 TXFLFRKLAVRXCA-GFCCVEGCSA-N 323.393 -0.048 30 20 DBED C=C[C@](C)(O)CC(=O)N(C)CCCN(C)C(=O)Cn1ncnn1 1067292738 WKRQVRKLIIJESY-AWEZNQCLSA-N 324.385 -0.693 30 20 DBED N#Cc1cncc(N2C[C@@H](O)[C@H](CNC(=O)c3ccncc3)C2)n1 1067642342 BUMLWYRUNFIAMQ-TZMCWYRMSA-N 324.344 -0.030 30 20 DBED N#Cc1cnc(N2C[C@@H](O)[C@H](CNC(=O)c3cnco3)C2)cn1 1067688737 KHDYEPSBBCZDHW-MWLCHTKSSA-N 314.305 -0.437 30 20 DBED C=CCCC(=O)N1CC2(C[C@@H](NC(=O)CCNC(N)=O)CO2)C1 1068865234 SYGDSMZPJNHCRS-LLVKDONJSA-N 324.381 -0.503 30 20 DBED CCC1(NC(=O)CNC(=O)NC)CCN(C(=O)[C@H](C)C#N)CC1 1069582470 GWAPIKGOFNVZQM-LLVKDONJSA-N 323.397 -0.038 30 20 DBED C#CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2cocn2)C1 1069903347 RLUKSBZAIHIUNW-YPMHNXCESA-N 300.322 -0.055 30 20 DBED C[C@@H]1CCN(CC(=O)N2C[C@H](n3ccnn3)[C@H](NCC#N)C2)C1 1070275422 LPAWWGOMRKMACZ-MCIONIFRSA-N 317.397 -0.515 30 20 DBED C=CCO[C@H](C)C(=O)N1CCC[C@@H](NC(=O)[C@H]2CCC(=O)N2)C1 1070902830 VACHQXIOFHKULE-JHJVBQTASA-N 323.393 -0.037 30 20 DBED C#CCCN1CCNC(=O)CCN(C(=O)[C@@H]2COCCO2)CC1 1070941721 BDBVETQCTDFWLG-AWEZNQCLSA-N 323.393 -0.924 30 20 DBED C#CCN1CC[C@]2(C1)CN(C(=O)Cn1nccn1)C[C@H](C)O2 1071173534 JRASMGDAPDOTAP-ZFWWWQNUSA-N 303.366 -0.397 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCCN(C(=O)C2(C(N)=O)CC2)C1 1071217369 OORGRFWQKGKEGT-GFCCVEGCSA-N 321.377 -0.601 30 20 DBED C[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)COCCN(C)C 1072050192 ZFRGOXPQDSJRTO-DZGCQCFKSA-N 321.421 -0.059 30 20 DBED C#CCOCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)CCCC(N)=O)C1 1072094420 UDLKYVHSKTXUOT-OLZOCXBDSA-N 323.393 -0.355 30 20 DBED N#CCN1CCC2(C1)CN(C(=O)c1cc(=O)n3[nH]cnc3n1)C2 1073124286 GCLGDVBFDPTGPQ-UHFFFAOYSA-N 313.321 -0.911 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](NC(=O)CNC(N)=O)[C@@H](C)C1 1073704524 JCFXMYYDHUHZGL-NWDGAFQWSA-N 324.381 -0.952 30 20 DBED COc1nccc(C(=O)N2CC[C@H]3OCCN(CC#N)[C@H]3C2)n1 1074295410 YJRCHIFBNZQLLR-QWHCGFSZSA-N 317.349 -0.076 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2cccc(-c3nc[nH]n3)c2)C1 1077501837 QBEBABHHOXKSOR-ZIAGYGMSSA-N 311.345 -0.120 30 20 DBED C#CCNC(=O)CC(=O)N(CC)C1CN(C(=O)[C@H](CC)OC)C1 1079644852 VETOVYHPFLOZCR-ZDUSSCGKSA-N 323.393 -0.390 30 20 DBED C#CCOCCC(=O)N1C[C@H](O)[C@H](CNC(=O)C=C(C)C)C1 1081228994 VLRNSGOXQPXKGV-KGLIPLIRSA-N 308.378 -0.072 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(C(=O)c2cnns2)C[C@H]1O 1081468349 IQZZFGJUMZNSPM-GHMZBOCLSA-N 320.374 -0.499 30 20 DBED CC#CCCCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2nc[nH]n2)C1 1081658660 XVFQQNBCQKZWBN-NEPJUHHUSA-N 319.365 -0.453 30 20 DBED COc1coc(C(=O)N[C@@H]2CN(CC#N)C[C@H]2OC)cc1=O 1081945897 CZGAEGIPSJVYKX-BXKDBHETSA-N 307.306 -0.399 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)Cc1cnn(C)c1 1083022368 CMJGVSXPFQJOJV-LSDHHAIUSA-N 302.378 -0.103 30 20 DBED Cc1nonc1CN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H](C)C#N 1083026235 SQCZWOKFADAEHE-JIMOISOXSA-N 305.338 -0.051 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CCc1ccncn1 1083096199 UQPSRUGGHCFKTH-UONOGXRCSA-N 301.350 -0.156 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cnn2cccnc12 1083160239 PUHWSQQXPHOZLE-QWHCGFSZSA-N 312.333 -0.222 30 20 DBED C=C(C)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CN(C)C(=O)N1 1083163010 NGDDEZBZUADLBK-RWMBFGLXSA-N 308.382 -0.502 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)C1 1083483731 GMMLDNQTBIKNNQ-MCIONIFRSA-N 320.393 -0.680 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)c2cc3c(cn2)OCCO3)C1 1083532995 SRSQMZKZHJGERX-OLZOCXBDSA-N 317.345 -0.349 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2cnn3c2C[C@@H](C)CC3)C1 1084004943 AIBAGQIAUSNPMW-LNSITVRQSA-N 302.378 -0.127 30 20 DBED C[C@H](C(N)=O)N1CC[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)[C@@H]2C1 1084283619 HVSAGEMUPVNHLR-GIPNMCIBSA-N 301.350 -0.094 30 20 DBED CCO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1CNCc1nnn(C)n1 1087035939 RWCVMNFGPILFTJ-IJLUTSLNSA-N 321.385 -0.677 30 20 DBED C#CCN1CC[C@H](NC(=O)Cn2ncn(C)c2=O)CC(C)(C)C1 1089421874 YZVXMEQZBZRMAK-ZDUSSCGKSA-N 319.409 -0.178 30 20 DBED CCN(c1ccc(C#N)nn1)[C@H](C)CNC(=O)CC(=O)NC 1089630280 ZJYYYZUDEWUZRB-SNVBAGLBSA-N 304.354 -0.185 30 20 DBED COc1cc(C(=O)N[C@H]2CCN(CC#N)C[C@@H]2O)cc(OC)n1 1090395279 BAIAZNYQPYOSOR-RYUDHWBXSA-N 320.349 -0.213 30 20 DBED C=CCCN1CC[C@H](NC(=O)c2cc(C(N)=O)cn2C)[C@@H](O)C1 1090398934 JWFJLIHBAIUNGU-JSGCOSHPSA-N 320.393 -0.135 30 20 DBED C=CCN1CC[C@H](NC(=O)Cn2ccc(C)cc2=O)[C@H](O)C1 1090609040 JDYPTGXGXSBMOP-UONOGXRCSA-N 305.378 -0.106 30 20 DBED C=CCN1CC[C@H](NC(=O)Cn2c(C)cc(C)nc2=O)[C@@H](O)C1 1090674088 ORWXLVTYNQSGOV-KBPBESRZSA-N 320.393 -0.402 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2c(C)nn3cccnc23)[C@H](O)C1 1090821271 ZPYWWLGXXPVTOG-CHWSQXEVSA-N 313.361 -0.164 30 20 DBED CCOCCC(=O)N[C@@H]1CCN(c2cnc(C#N)cn2)C[C@@H]1O 1092154037 QOTFSPQRSZELDE-OLZOCXBDSA-N 319.365 -0.169 30 20 DBED CNC(=O)C1(C(=O)N2CCN(c3ccnc(C#N)n3)CC2)CC1 1093165181 JUFXVKQREAFYFY-UHFFFAOYSA-N 314.349 -0.477 30 20 DBED CCNC(=O)CC(=O)NC1[C@H]2CN(c3nccnc3C#N)C[C@H]12 1093266040 NAGIDDUHWLHPIW-UWVGGRQHSA-N 314.349 -0.575 30 20 DBED Cn1ncnc1COCC(=O)NCCNc1ncccc1C#N 1093838113 PPVOPZSDMBYICK-UHFFFAOYSA-N 315.337 -0.173 30 20 DBED Cc1nn(C)c(C)c1CC(=O)NCCN=c1cc[nH]c(C#N)n1 1094018556 DSHLTKRICNOQMN-UHFFFAOYSA-N 313.365 -0.109 30 20 DBED C#CCCN1CC(n2cc(CNC(=O)[C@H]3CCCN3C)nn2)C1 1094278401 GGYODXFGNZVUIT-OAHLLOKOSA-N 316.409 -0.132 30 20 DBED CC(=O)N[C@@H](C)C(=O)N1CCC(N=c2cc[nH]c(C#N)n2)CC1 1095212454 PKSHMGAFTJDKGZ-JTQLQIEISA-N 316.365 -0.302 30 20 DBED CN(CCCNC(=O)[C@H]1CCC(=O)N1)c1ccc(C#N)nn1 1095493600 FNUGYKAKGDISLF-LLVKDONJSA-N 302.338 -0.431 30 20 DBED CCC(=O)NCC(=O)NCCCN(C)c1cncc(C#N)n1 1095498542 UTCYAGVFWPWXFC-UHFFFAOYSA-N 304.354 -0.183 30 20 DBED CC[C@@H](NC(C)=O)C(=O)N[C@@H]1CCN(c2ccnc(C#N)n2)C1 1096486264 RYKCGUDNGYUNNS-VXGBXAGGSA-N 316.365 -0.042 30 20 DBED N#Cc1nccc(N2CCC3(CC2)C[C@@H]3NC(=O)CC(N)=O)n1 1096508003 UJXMOXDHOCQUGQ-JTQLQIEISA-N 314.349 -0.301 30 20 DBED CN(C)C(=O)CC(=O)N1CC[C@H](Nc2ccc(C#N)nn2)C1 1096979643 AUELMBPPHDVKGH-NSHDSACASA-N 302.338 -0.161 30 20 DBED C[C@@H](CNC(=O)c1c[nH]c(C#N)c1)Nc1ccc2nnnn2n1 1097766596 OBMCLNCGZPQGGE-QMMMGPOBSA-N 311.309 -0.051 30 20 DBED C[C@H](CNC(=O)[C@H]1CN(C)C[C@@H](C)O1)Nc1nccnc1C#N 1098362674 GCJKTEQHCHCING-NQBHXWOUSA-N 318.381 -0.016 30 20 DBED C#CCCN(CCO)C1CCN(C(=O)c2ncn(C)n2)CC1 1098363005 YEMOZRJKFVRQHL-UHFFFAOYSA-N 305.382 -0.263 30 20 DBED C[C@H](CNC(=O)[C@H]1CN(C)C[C@@H](C)O1)Nc1cnc(C#N)cn1 1098363458 XEZGJAZLLSRMRX-NQBHXWOUSA-N 318.381 -0.016 30 20 DBED C#CCOCCC(=O)N1CC[C@H](n2cc(CNCCO)nn2)C1 1098672449 FQHNLHVNSLKVPS-AWEZNQCLSA-N 321.381 -0.827 30 20 DBED C#CCO[C@@H](C)C(=O)NCC[C@@H](C)Nc1nccn2nnnc12 1099521137 LFOJTUSQYIRCKD-MNOVXSKESA-N 317.353 -0.136 30 20 DBED C#CCN1CC[C@@H](NC(=O)CCCC(=O)NCCC)[C@@H](O)C1 1100078929 QMNWIZRLBHROKJ-KGLIPLIRSA-N 309.410 -0.133 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2ccc(O)nc2)[C@@H](O)C1 1100094925 UVKHBSUSMIGSCI-KBPBESRZSA-N 319.361 -0.398 30 20 DBED C#CCN1CC[C@@H](NC(=O)CNC(=O)CC(C)(C)C)[C@@H](O)C1 1100119272 HNUIKBGHKIVKIM-OLZOCXBDSA-N 309.410 -0.277 30 20 DBED CN(CCNC(=O)[C@@H]1CC[C@@H]1C(N)=O)c1ccnc(C#N)n1 1100268741 HGPPMZRVQVSCKM-VHSXEESVSA-N 302.338 -0.588 30 20 DBED Cc1cc(C(=O)NCC2CC(NCC(=O)NCC#N)C2)cnn1 1100271988 YWJLPUQYSSMCTD-UHFFFAOYSA-N 316.365 -0.477 30 20 DBED CCN(CCNC(=O)c1cnnn1C)c1nccnc1C#N 1100509228 VKBFFDHSVBQRGK-UHFFFAOYSA-N 300.326 -0.267 30 20 DBED CN(CCNc1ncc(C#N)cc1F)C(=O)[C@@H]1CNC(=O)N1 1101921446 QNNMKLYGBOGZIR-JTQLQIEISA-N 306.301 -0.356 30 20 DBED CNC(=O)CC(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(C#N)n1 1102547809 PSLMUXJDVMPLFF-QWRGUYRKSA-N 300.322 -0.726 30 20 DBED CNC(=O)CC(=O)N[C@H]1CCCCN(c2nccnc2C#N)C1 1102854672 VZMNKIODMMITGY-NSHDSACASA-N 316.365 -0.041 30 20 DBED CC[C@H](CNC(=O)[C@H]1COC(=O)N1)N=c1cc[nH]cc1C#N 1103052863 LARJCTTWRVUZDI-ZYHUDNBSSA-N 303.322 -0.210 30 20 DBED C[C@@H](CN=c1cc[nH]cc1C#N)CNC(=O)[C@H]1COCCN1C 1103923495 ZKZCFNNMJFXCIC-SWLSCSKDSA-N 317.393 -0.130 30 20 DBED C[C@@H]1CN(C(=O)COCc2nncn2C)C[C@H]1CCNCC#N 1104856824 HPBIOHWYLXKMQV-CHWSQXEVSA-N 320.397 -0.071 30 20 DBED CC(C)[C@@H](CNC(=O)C1(C(N)=O)CC1)N=c1cc[nH]c(C#N)n1 1105271441 HWSDNELQXWUCEE-SNVBAGLBSA-N 316.365 -0.412 30 20 DBED C#CCNCc1cn(C2CN(C(=O)[C@@]3(F)CCOC3)C2)nn1 1105312244 GTWJDNMOSABIJS-CQSZACIVSA-N 307.329 -0.487 30 20 DBED CC(=O)CCCC(=O)NC[C@@H](O)CNc1nccnc1C#N 1105720493 UJRWLKQIAYPBSR-LLVKDONJSA-N 305.338 -0.003 30 20 DBED COC[C@H](OC)C(=O)N1CCC(OC2CN(CC#N)C2)CC1 1105724380 ZSNSLLRLHWWIRT-AWEZNQCLSA-N 311.382 -0.137 30 20 DBED Cc1cc(C(=O)NC[C@@H](O)CNc2nccnc2C#N)n[nH]1 1105726000 YHFFSCHLZRWGLB-VIFPVBQESA-N 301.310 -0.417 30 20 DBED CC(C)(C)C(=O)C(=O)NC[C@@H](O)CNc1cncc(C#N)n1 1105765587 CGTOTDLJJODZJA-JTQLQIEISA-N 305.338 -0.148 30 20 DBED C[C@@](O)(CC(=O)NC[C@@H](O)CNc1nccnc1C#N)C1CC1 1105826787 KIXQKQYIKRWWOT-IAQYHMDHSA-N 319.365 -0.212 30 20 DBED CCCN(C)CC(=O)NC[C@@H](O)CNc1nc(C)cc(C#N)n1 1105909063 CQUQSOMAXRVCFN-CYBMUJFWSA-N 320.397 -0.113 30 20 DBED C#CCCN1CC(n2cc(CNC(=O)COCC=C)nn2)C1 1107146736 PHKQOKVKXWHLSG-UHFFFAOYSA-N 303.366 -0.023 30 20 DBED C[C@@H](CC(=O)NC/C=C/CNc1nccnc1C#N)NC(N)=O 1107350752 JDWWWMILXQJSAS-PBKGFPTLSA-N 317.353 -0.121 30 20 DBED C[C@@]1(CNC(=O)C(F)F)CN(CC(=O)NCC#N)CCO1 1107671530 PLWWBBGMQDHJQJ-GFCCVEGCSA-N 304.297 -0.902 30 20 DBED C[C@H](CN=c1cc[nH]cc1C#N)NC(=O)[C@]1(C)CNC(=O)C1 1108016714 MYVLOKAGEMBTHI-BMIGLBTASA-N 301.350 -0.182 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)C[C@@H]1CCC(=O)NC1 1108574159 XTMLKVLUACMVSQ-QWRGUYRKSA-N 316.365 -0.397 30 20 DBED C[C@H](CN(C)c1ccnc(C#N)n1)NC(=O)[C@@H]1CCC(=O)N1 1109027446 OSAAWJAHGASZLG-ZJUUUORDSA-N 302.338 -0.432 30 20 DBED CCS(=O)(=O)N[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC#N 1109313425 FMUDFFWGSKNUMQ-WYUUTHIRSA-N 314.411 -0.441 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H]1CCC(=O)N1C 1109636654 OCMUCLZOSGLPBW-CBBWQLFWSA-N 319.405 -0.022 30 20 DBED C#CCNC(=O)CC(=O)NCC1(Nc2cncc(C#N)n2)CC1 1110105545 GPKIXRYTSKTMLF-UHFFFAOYSA-N 312.333 -0.452 30 20 DBED N#Cc1cnc(NC2(CNC(=O)C(=O)NCC3CC3)CC2)cn1 1110209788 ISKJWAIZFPMRLR-UHFFFAOYSA-N 314.349 -0.065 30 20 DBED C[C@@H](C#N)C(=O)NC[C@]1(O)CCN(c2nccnc2C#N)C1 1111041770 LMYJCLWKKCZGCO-IINYFYTJSA-N 300.322 -0.435 30 20 DBED C[C@@H]1CN(c2cncc(C#N)n2)CC[C@@H]1NC(=O)CNC(N)=O 1112392455 HATGFLKQMHRNDH-KOLCDFICSA-N 317.353 -0.652 30 20 DBED CC(C)[C@H]1OCC[C@H]1C(=O)N1CCN(CC(=O)NCC#N)CC1 1112939874 MFIFHYVIAZAMLQ-UKRRQHHQSA-N 322.409 -0.169 30 20 DBED C[C@H](CNC(=O)Cn1cnnc1O)N(C)c1nccnc1C#N 1113569287 WPEUNMKQRNCQMZ-SECBINFHSA-N 316.325 -0.714 30 20 DBED C[C@H](NC(N)=O)C(=O)NC[C@H](C)N(C)c1ccc(C#N)nc1 1113576838 YAKRBIGLWIXKKH-UWVGGRQHSA-N 304.354 -0.049 30 20 DBED C=CCO[C@H](C)C(=O)N1CCN(CCNS(C)(=O)=O)CC1 1113713505 RUPZDIRXBCLQPP-GFCCVEGCSA-N 319.427 -0.729 30 20 DBED N#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3cc(Cl)c[nH]3)[C@H]2C1 1113854111 BRLCYNUKDYUDCT-UWVGGRQHSA-N 321.768 -0.032 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)COCCC)[C@H]2C1 1113996104 OINFWSVSSQCFCP-CXTNEJHOSA-N 307.394 -0.403 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3cc(C)ncn3)[C@H]2C1 1114143756 TWGRDWHFOBOSFE-JYAVWHMHSA-N 315.377 -0.253 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)c3ccsn3)[C@H]2C1 1114450315 ZHMKDNXGBOFRDG-DCAQKATOSA-N 318.402 -0.059 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3cc(F)c[nH]3)[C@H]2C1 1114582314 WHVYKNASKXFTJK-YABSGUDNSA-N 304.325 -0.437 30 20 DBED C#Cc1ccc(C(=O)NC2[C@@H]3CN(C[C@H](O)COC)C[C@@H]23)cn1 1115140322 VOKJBFKWKYNBNQ-RRFJBIMHSA-N 315.373 -0.270 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)c3[nH]cnc3C)[C@H]2C1 1115356534 LPFDXEKPVFSIHR-NMKXLXIOSA-N 315.377 -0.484 30 20 DBED C[C@@H](CN(C)C(=O)c1ncn(C)n1)N=c1cc[nH]c(C#N)n1 1115704247 ISQXCZPAZHXXHP-VIFPVBQESA-N 300.326 -0.529 30 20 DBED C[C@H](CN(C)C(=O)Cn1cncn1)Nc1nccnc1C#N 1115731298 RNLQRIJJORWXGW-SNVBAGLBSA-N 300.326 -0.101 30 20 DBED Cc1cc(NC(=O)C(=O)N[C@H]2CC(=O)N(C)C2)n(CCC#N)n1 1116333496 KABIKIDHJYZZLD-JTQLQIEISA-N 318.337 -0.609 30 20 DBED COC[C@@H](NC(=O)C(=O)Nc1cnn(CC#N)c1)[C@H]1CCCO1 1116857946 ZOMNQAFFJDHDMW-VXGBXAGGSA-N 321.337 -0.345 30 20 DBED C=CCn1cc(Cn2nnnc2N2CCC(C)(O)CC2)nn1 1120215501 CHAMOCHBHZPFSY-UHFFFAOYSA-N 304.358 -0.150 30 20 DBED C[C@H](CN(C)C(=O)[C@@H]1CNC(=O)N1)Nc1ccc(C#N)cn1 1120633409 HECOCBOTRXGPQN-KOLCDFICSA-N 302.338 -0.107 30 20 DBED N#Cc1nc(=N[C@H](CO)CNC(=O)C[C@@H]2CCCO2)cc[nH]1 1121099955 MYELDSRMGRFEKE-QWRGUYRKSA-N 305.338 -0.772 30 20 DBED Cc1cc(C#N)nc(N[C@@H](CO)CNC(=O)[C@H]2CCOC2)n1 1121171697 JWRSJONDKMOVBU-CMPLNLGQSA-N 305.338 -0.418 30 20 DBED Cc1ccnc(C(=O)NC[C@@H](CO)N=c2cc[nH]cc2C#N)n1 1121506643 WRBAFUPGAGCSAP-LBPRGKRZSA-N 312.333 -0.324 30 20 DBED COCC[C@H](C)C(=O)NC[C@@H](CO)Nc1ccc(C#N)nn1 1121607169 NARUMEILUVSGBO-JQWIXIFHSA-N 307.354 -0.090 30 20 DBED Cc1nc[nH]c1CC(=O)NC[C@H](CO)N=c1cc[nH]cc1C#N 1121855026 RRKANAQTRIIAQF-GFCCVEGCSA-N 314.349 -0.462 30 20 DBED COCCNC(=O)[C@@H](C#N)C(=O)c1ccc2nnc(O)n2c1 1122414322 BOAUZAQJTPLNIU-VIFPVBQESA-N 303.278 -0.480 30 20 DBED N#Cc1c[nH]ccc1=N[C@H](CO)CNC(=O)Cc1cscn1 1122652271 MFUOTYBDLKZHFK-LBPRGKRZSA-N 317.374 -0.037 30 20 DBED CC(C)NC(=O)NCCNCCNC(=O)CSCC#N 1123791946 AMQGBPUKRKRVDU-UHFFFAOYSA-N 301.416 -0.343 30 20 DBED CS[C@H](C)C(=O)N(C)C[C@H](O)CN=c1cc[nH]c(C#N)n1 1124105438 NEYNGPSLNJZKGG-NXEZZACHSA-N 309.395 -0.247 30 20 DBED COCCN(CCNC(=O)c1nc[nH]n1)c1ccc(C#N)nc1 1126384063 LLKXAACFDICDRR-UHFFFAOYSA-N 315.337 -0.046 30 20 DBED Cc1nc2cc(C(=O)NCCNCC(=O)NCC#N)cnc2[nH]1 1129113116 TVNGDYGXTDGKJK-UHFFFAOYSA-N 315.337 -0.775 30 20 DBED C=C[C@@](C)(O)CC(=O)N1C[C@H](n2ccnn2)[C@H](NCC#N)C1 1129788462 JMDRHRFEGKXNRX-MBNYWOFBSA-N 304.354 -0.530 30 20 DBED C#CCN1CC[C@]2(C1)CN(C(=O)C1(C(=O)NC)CC1)C[C@H](C)O2 1131687520 BLZPQPCCWZZRAL-BBRMVZONSA-N 319.405 -0.162 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)[C@@H](OC)c1cnn(C)c1 1131877385 CSGXBLOKOKIIIU-AAEUAGOBSA-N 323.397 -0.496 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)c2coc(OC)n2)C1=O 1131924897 JDALSWCNULDWKH-JTQLQIEISA-N 308.338 -0.211 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)Cc1c(C)nn(C)c1C 1132047862 ZRIKKKYGOBTPAF-LBPRGKRZSA-N 319.409 -0.577 30 20 DBED C#CCCN1C[C@H](NC(=O)CCNS(C)(=O)=O)CC[C@@H]1C 1132078614 NGTLTZOMXJALGK-QWHCGFSZSA-N 315.439 -0.082 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@H]1C[C@H](C)Cc2c[nH]nc21 1132832874 ZRXYVINSSCILEQ-YPMHNXCESA-N 317.393 -0.469 30 20 DBED COc1cc(C(=O)NCCNCC(=O)NCC#N)cc(C)n1 1132975272 RWJSJWSFVFPVSC-UHFFFAOYSA-N 305.338 -0.642 30 20 DBED C#CCNC[C@@H]1CN(C(=O)CN2CCC(=O)NC2=O)CC[C@H]1C 1133234580 TXEHHQFUKGWSMX-CHWSQXEVSA-N 320.393 -0.364 30 20 DBED C[C@H]1CCN(C(=O)c2nccnc2C(N)=O)C[C@@H]1CNCC#N 1133298852 UDXDTIHOGCJXKD-QWRGUYRKSA-N 316.365 -0.213 30 20 DBED C#Cc1cncc(C(=O)NCCNCCNC(=O)C2CC2)c1 1133596987 GTZFGAIMKGOJES-UHFFFAOYSA-N 300.362 -0.092 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NCCN[C@@H](C)c1nnnn1C 1134816295 BJTJFQADAVUGID-JQWIXIFHSA-N 323.401 -0.552 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)c1c(C)n[nH]c1C 1135426727 ZPZYXYXMYUKEHW-UHFFFAOYSA-N 322.369 -0.642 30 20 DBED C[C@@H](C[C@@H](C)NCC#N)NC(=O)CCS(=O)(=O)N(C)C 1146570722 IJMQTOCMOMWREL-MNOVXSKESA-N 304.416 -0.336 30 20 DBED C#CCN[C@@H](C)C[C@@H](C)NC(=O)CCS(=O)(=O)N(C)C 1146572163 SRLQSJWYUQTPQN-NWDGAFQWSA-N 303.428 -0.226 30 20 DBED COCC#CCNCCNC(=O)CO[C@H](C)c1nccn1C 1149287679 LOEJGTBWGNZYGX-CYBMUJFWSA-N 308.382 -0.147 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H]1CN(CC#CCOC)CCCO1 1149707452 KIBTYOBDJGCPCU-CVEARBPZSA-N 322.405 -0.118 30 20 DBED Cc1noc(C)c1CCC(=O)NCCNCC(=O)NCC#N 1150618879 CDARCCNRHGRAMS-UHFFFAOYSA-N 307.354 -0.430 30 20 DBED C=CCNC(=O)NC(=O)CNCCCNC(=O)c1cnn(C)c1 1154510105 FMFUANLVTATURO-UHFFFAOYSA-N 322.369 -0.859 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)[C@H]1CN2CCC1CC2 1158202153 DOZKGFSPYCUYKD-ZFWWWQNUSA-N 320.437 -0.438 30 20 DBED COCC1(CNC(=O)[C@@H]2CNC(=O)N2)CCN(CC#N)CC1 1162440860 CQXNBZZVGUDASO-NSHDSACASA-N 309.370 -0.964 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1cnn2ccccc12 1168634321 QLMHAWWLDJZYJH-UHFFFAOYSA-N 313.361 -0.207 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)c1cn(CC)cn1 1171345880 CJWQSNRXIUMOHD-LBPRGKRZSA-N 305.382 -0.250 30 20 DBED C=C(C)CCN[C@H]1CCN(C(=O)CNS(=O)(=O)NC)[C@H]1C 1179248640 MCGLDFOZTABGGT-RYUDHWBXSA-N 318.443 -0.415 30 20 DBED C[C@H](CC(N)=O)C(=O)N1C[C@@H](CNCC#N)C2(CCOCC2)C1 1186446219 YMUOKVMFRHGYRR-CHWSQXEVSA-N 322.409 -0.134 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC[C@H]2CN(CC(=O)NCC)C[C@H]21 1187755185 JNXVYRNUJHDVRN-ZENOOKHLSA-N 309.410 -0.018 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)c2cn(C)c(=O)n2C)C1 1188204543 XWXFRKXXKKBTRE-GFCCVEGCSA-N 306.366 -0.822 30 20 DBED Cc1nc(O)[nH]c1C(=O)N1CC[C@H](N(C)CC(=O)NCC#N)C1 1190808791 KCLCNKQZTGZLRY-JTQLQIEISA-N 320.353 -0.790 30 20 DBED CC(C)NC(=O)CN(C)CC(=O)N1CC[C@@H](N(C)CC#N)C1 1191143401 BISNLJUAJDPALS-CYBMUJFWSA-N 309.414 -0.501 30 20 DBED Cc1cc(CN2C[C@@H](O)[C@H](NC(=O)CSCC#N)C2)on1 1191156623 MMGSEAKZSHCZNK-VXGBXAGGSA-N 310.379 -0.099 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)C2CCC(O)CC2)C1 1192590821 MBIREYGJMOODFF-NEXFUWMNSA-N 310.394 -0.651 30 20 DBED C=CCCN(C)[C@H]1CCN(C(=O)[C@H](CCC(N)=O)NC(C)=O)C1 1192888791 NLJPKKFTYKZQKK-KBPBESRZSA-N 324.425 -0.135 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)Cc2cncn2C)C1 1193462308 NAYSGXUDFIJDFL-ZDUSSCGKSA-N 317.393 -0.755 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCCN(C[C@H](O)COC)CC1 1195652849 ZKARAEKSPHOJDI-DZGCQCFKSA-N 300.399 -0.145 30 20 DBED C=CCCCN1CCCN(C(=O)Cn2cnc(C(N)=O)n2)CC1 1195894399 WIPYUWIQLNAELI-UHFFFAOYSA-N 320.397 -0.123 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)Cn2nccn2)CC1 1195966701 SLMYDNSBURZVSE-UHFFFAOYSA-N 306.370 -0.885 30 20 DBED C=CCOCCN1CCCN(C(=O)C[C@@H]2NC(=O)NC2=O)CC1 1196185167 OUQNCQUUMPDDAP-LBPRGKRZSA-N 324.381 -0.679 30 20 DBED C#CCOCCC(=O)N1CCC(N[C@@H](C)c2nnnn2C)CC1 1200523384 PJOYAAQTSMFBAN-LBPRGKRZSA-N 320.397 -0.108 30 20 DBED C=CCNC[C@H]1CN(C(=O)CCS(C)(=O)=O)CCCO1 1200824839 SNSOYFNVXIAHNC-LBPRGKRZSA-N 304.412 -0.186 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC(N[C@H](C)C(N)=O)CC1 1202802113 MQKLCWCBNDMXFE-RISCZKNCSA-N 324.425 -0.088 30 20 DBED NC(=O)NC(=O)CN[C@H]1C[C@H]2CC[C@H]1N(C(=O)C#CC1CC1)C2 1204295209 JILDEAYKEUSJQG-FRRDWIJNSA-N 318.377 -0.436 30 20 DBED C=CCNC(=O)[C@@H](C)NCC1CCN(C(=O)c2nc[nH]n2)CC1 1206634936 GGJYHCYYFWDSSX-LLVKDONJSA-N 320.397 -0.063 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)c2cncnc2)C1 1207870270 UUDZOQYTGRVJOC-CYBMUJFWSA-N 303.366 -0.027 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)[C@@]2(C)CNC(=O)C2)[C@H](C)C1 1208054373 AKMGDNDCJTXTLZ-XHBSWPGZSA-N 322.409 -0.749 30 20 DBED COCC#CCN1C[C@@H](NC(=O)[C@@]2(C)CNC(=O)C2)[C@H](C)C1 1208054381 AOMYBHJZYGAQBL-XJKCOSOUSA-N 307.394 -0.401 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCCN(C(=O)CC(=O)N(C)C)C1 1210027354 AUUREOMMXZVINZ-STQMWFEESA-N 322.409 -0.817 30 20 DBED C=CCN1CC[C@@H](N2C[C@@H](NC(=O)COC)[C@H](OC)C2)C1=O 1211750185 LIVSABKKGJTPLW-JHJVBQTASA-N 311.382 -0.765 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(CC(=O)NC(=O)NC)C[C@H]1OC 1212187451 TUSJZMFFZLQLFK-VXGBXAGGSA-N 324.381 -0.939 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2cc(C)co2)[C@H](OC)C1 1213297613 LWELLYQFMZWEPF-TZMCWYRMSA-N 319.361 -0.234 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@](C)(NC(C)=O)C(C)C 1213953293 AYRBMWQZJGVMPW-UMVBOHGHSA-N 310.398 -0.124 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2[nH]nnc2C)C[C@H]1C 1215291624 DOQRYOMRZCTKKI-YUSALJHKSA-N 320.397 -0.146 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@@H](NS(C)(=O)=O)C(C)C)C[C@H]1C 1215840460 ZHCFPQIIDITRCK-UPJWGTAASA-N 315.439 -0.370 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)[C@@H](C)OCC2CC2)C1 1219320935 XXRRFFVDTDHNPN-YUELXQCFSA-N 310.394 -0.387 30 20 DBED CCc1nnc(CN2C[C@H](O)[C@H](NC(=O)[C@@H](C)C#N)C2)n1C 1219379254 PMJAACCSTLEWSA-AXFHLTTASA-N 306.370 -0.802 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(Cc2cn(C)nc2C)C[C@@H]1O 1219527387 NXEKUSRRDVWVAL-IJEWVQPXSA-N 322.409 -0.283 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2nccn2CC)C[C@@H]1O 1219602880 JOHDVPPTBZYDQA-MCIONIFRSA-N 320.393 -0.397 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2ncc(CC)o2)C[C@@H]1O 1219605339 OZLZKSLHAJHOOL-YUTCNCBUSA-N 321.377 -0.063 30 20 DBED C=CCCCN1C[C@H](O)[C@H](NC(=O)COCc2nncn2C)C1 1220660776 BIVNTXWMLOEHTN-OLZOCXBDSA-N 323.397 -0.541 30 20 DBED CC#CCN1CCC(CNC(=O)CNS(=O)(=O)CC)CC1 1223375005 XCKCOMHPQOFWRD-UHFFFAOYSA-N 315.439 -0.223 30 20 DBED N#CCNC(=O)COC(=O)c1sccc1S(N)(=O)=O 1318330270 JXDWHKZAUIRZFH-UHFFFAOYSA-N 303.321 -0.808 30 20 DBED C=CCn1cc(CNC(=O)C(=O)NCCCn2ccnc2)nn1 1325911142 NTQUFPAZYDPSPU-UHFFFAOYSA-N 317.353 -0.517 30 20 DBED N#CCn1cc(NC(=O)C(=O)N[C@H]2CC[C@@H](C(=O)O)C2)cn1 1326198772 DJXVXMKNERVZJI-BDAKNGLRSA-N 305.294 -0.285 30 20 DBED C#C[C@@H](NC(=O)C(=O)N1CC[C@@H]2OCC[C@@H]2C1)[C@H]1CCCO1 1328303289 VYASWZRHYOJCNG-YIYPIFLZSA-N 306.362 -0.079 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1C 1332333941 CSBLYBAFZNKGEI-WDEREUQCSA-N 318.395 -0.803 30 20 DBED C#CCOCCn1nnnc1N1CCCN(C(=O)OCC)CC1 1334393378 PATUOIWUVFLQCE-UHFFFAOYSA-N 322.369 -0.009 30 20 DBED C=CCN1CC[C@H](n2cc(CN3CCS(=O)CC3)nn2)C1=O 1336896723 PXYBBZLWSAORSX-ZDUSSCGKSA-N 323.422 -0.198 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)NCc1c[nH]nc1C 1340608990 BTALBSAHLBRYOX-UHFFFAOYSA-N 314.367 -0.949 30 20 DBED C=CCn1c([C@@H](O)COC)nnc1N1CCN(C)C(=O)[C@@H]1C 1342472194 OMVLKSIKZKXDNJ-QWRGUYRKSA-N 309.370 -0.189 30 20 DBED CS(=O)(=O)c1cccnc1C(=O)NCCn1cnc(C#N)n1 1361641662 WCAOXGQNCZCYLR-UHFFFAOYSA-N 320.334 -0.622 30 20 DBED N#Cc1ccccc1N1CCN(C(=O)[C@@H](CO)NC(N)=O)CC1 1361715965 FNDNQMRJSGYHFL-GFCCVEGCSA-N 317.349 -0.764 30 20 DBED N#Cc1ccnc(C(=O)NCC2(O)CCS(=O)(=O)CC2)c1 1362657217 XEOWQEGQFVSFFD-UHFFFAOYSA-N 309.347 -0.377 30 20 DBED Cn1c(=O)[nH]c(N2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)c(C#N)c1=O 1364173596 WCYZHLXUDCPUKP-NRPADANISA-N 303.322 -0.965 30 20 DBED C[C@@H](C#N)C(=O)N(C)C[C@H]1CCCN1C(=O)Cn1cnnn1 1369595645 NNBREBBITYEJBH-WDEREUQCSA-N 305.342 -0.718 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C[C@@H](O)Cn1cccn1)C1CC1 1377521027 XIKFNHCXMGQHEK-GXTWGEPZSA-N 305.382 -0.016 30 20 DBED C[C@@H](C#N)C(=O)NCC1CCN(C(=O)[C@@H]2CCC(=O)N2)CC1 1385476147 NMPXPFFJOJADLD-JQWIXIFHSA-N 306.366 -0.221 30 20 DBED COc1ncnc(OC)c1C(=O)NCCN(C)C(=O)[C@H](C)C#N 1386970598 SHBRUEXTBVSTEA-SECBINFHSA-N 321.337 -0.158 30 20 DBED Cc1nn(CC(=O)NC[C@H](C)N(C)C(=O)[C@H](C)C#N)c(=O)n1C 1395147887 BIIFUSNBGPTQTE-ZJUUUORDSA-N 322.369 -0.987 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)c2cnccn2)C1 1401063155 WGXSZEKNTIFRMG-YGRLFVJLSA-N 303.322 -0.671 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CCc3nncn3C2)C1 1407820136 GLTADWYZRPSMCV-BJDJZHNGSA-N 316.365 -0.236 30 20 DBED CC1(C)C[C@@](C)(NC(=O)Cn2cc(C#N)c(O)nc2=O)C(=O)O1 1413004695 PXVRLHKFPBWAAI-CQSZACIVSA-N 320.305 -0.579 30 20 DBED COc1c[nH]c(C(=O)N2CC(NC(=O)[C@H](C)C#N)C2)cc1=O 1416047913 VFFGJJMOEZCTMB-MRVPVSSYSA-N 304.306 -0.516 30 20 DBED CC(C)OC(=O)CCNC(=O)CCn1cc(C#N)c(O)nc1=O 1417600366 LNECTVPOURPGMG-UHFFFAOYSA-N 322.321 -0.331 30 20 DBED N#Cc1cn(CCC(=O)N2CC[C@]3(CCOC3)C2)c(=O)nc1O 1417677503 UBIALJCGRLCBBV-HNNXBMFYSA-N 318.333 -0.150 30 20 DBED Cc1c(C(=O)N[C@H](C)CNC(=O)c2cc(C#N)c[nH]2)nnn1C 1428562102 SSGAKWTVHPQRHN-MRVPVSSYSA-N 315.337 -0.128 30 20 DBED C[C@H](C(=O)N[C@H]1C[C@H]2CCCCN2C1=O)n1cnc(C#N)n1 1433495031 BFDOAWDMWYHWNE-MXWKQRLJSA-N 302.338 -0.020 30 20 DBED COCc1ccc(C(=O)NC[C@H](O)CNC(=O)[C@@H](C)C#N)o1 1452383367 KHANVVLHIWOXSU-VHSXEESVSA-N 309.322 -0.207 30 20 DBED CCN1CCO[C@@H](C(=O)NC2(CNC(=O)[C@H](C)C#N)CC2)C1 1459100223 SSRHHDJMOXSZPH-VXGBXAGGSA-N 308.382 -0.368 30 20 DBED CS(=O)(=O)c1ccc(CNC(=O)Cn2cc(C#N)nn2)cc1 1459111977 KASAOGBOCNCYGE-UHFFFAOYSA-N 319.346 -0.130 30 20 DBED CCC[C@@](C)(CO)NC(=O)CCn1cc(C#N)c(O)nc1=O 1466461245 YQZXIIXYQGKQBM-AWEZNQCLSA-N 308.338 -0.122 30 20 DBED CCn1nc(C(=O)N2CC[C@@H](NC(=O)[C@@H](C)C#N)C2)ccc1=O 1491872528 FROPAYJNOOPPMU-WDEREUQCSA-N 317.349 -0.246 30 20 DBED CCCc1cc(C(=O)NC[C@H](O)CNC(=O)[C@@H](C)C#N)n[nH]1 1533310238 ZIGCIAMBTKFMSF-GXSJLCMTSA-N 307.354 -0.271 30 20 DBED C#CCOCCC(=O)NC[C@H]1CC[C@@H](NC(=O)c2cnn[nH]2)C1 1573173822 OPBVVXGQKRCXIU-NWDGAFQWSA-N 319.365 -0.141 30 20 DBED C[C@@]1(C(=O)O)CN(S(=O)(=O)c2cccnc2C#N)CCO1 1573605948 HDVWUWCJKPKMRB-LBPRGKRZSA-N 311.319 -0.183 30 20 DBED C#CCN(C(=O)c1cn(CC(=O)O)nn1)C1CCN(C)CC1 1588394331 AZJSXRCRPSKONY-UHFFFAOYSA-N 305.338 -0.468 30 20 DBED Cc1cc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)O)ncc1C#N 1594276276 YVVPNDOOESDNMY-NSHDSACASA-N 323.330 -0.415 30 20 DBED N#C[C@@]1(NC(=O)[C@@H]2CCCN(CC(=O)O)C2=O)CCSC1 1594602448 NZXVNMVJDXQESY-ZANVPECISA-N 311.363 -0.175 30 20 DBED N#Cc1ccc(C(=O)N2CCS(=O)(=O)C[C@H]2CC(=O)O)o1 1601091831 BFEODXTYWMJOQM-MRVPVSSYSA-N 312.303 -0.135 30 20 DBED N#Cc1cccnc1-n1cc(NC(=O)C(=O)NCC(=O)O)cn1 1605622956 KXSVSEQOQHXXCT-UHFFFAOYSA-N 314.261 -0.722 30 20 DBED O=C1CN=C(NN=C2CCCc3cc(-c4nn[nH]n4)ccc32)N1 1607047687 DEVNGXBZGHEIQT-UHFFFAOYSA-N 310.321 -0.018 30 20 DBED N#Cc1csc(CNC(=O)N2C[C@H](O)C[C@@H](C(=O)O)C2)n1 1608222850 YBTAWVJNACPQDT-VXNVDRBHSA-N 310.335 -0.008 30 20 DBED N#C[C@@H]1CN(C(=O)c2ccc(S(N)(=O)=O)s2)CCO1 1649697670 NMGVZWTYJIYZJD-SSDOTTSWSA-N 301.349 -0.240 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)CN2CCCC2=O)C1 1731645162 HZKKGRHZBIXHGA-OLZOCXBDSA-N 322.409 -0.510 30 20 DBED CC#CCN[C@@H](CNC(=O)CCn1ncn(C)c1=O)C1CC1 1752471223 ASTIJLKBZKERLI-ZDUSSCGKSA-N 305.382 -0.520 30 20 DBED CCCNC(=O)NC(=O)CN[C@H]1C[C@H](NC(=O)C#CC2CC2)C1 1752654518 WXIXCMOBMJPMRG-JOCQHMNTSA-N 320.393 -0.128 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1C[C@@H](NC(=O)Cc2cnc(C)o2)C1 1752733171 LRAHLUPVBAMHHJ-RTXFEEFZSA-N 318.377 -0.100 30 20 DBED C=CCn1cc(C(=O)NCCN(C)[C@H]2CCCNC2=O)nn1 1753066476 MBDFHQXRTNFCIZ-LBPRGKRZSA-N 306.370 -0.596 30 20 DBED C#CCNC(=O)CN(C)CCNC(=O)[C@@H]1CCN(C(=O)CC)C1 1753070024 SQASEZPKSCZDQS-CYBMUJFWSA-N 322.409 -0.958 30 20 DBED COCC#CCN(C)CC1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1 1753365584 GNDDANNAVVCLRK-CABCVRRESA-N 321.421 -0.072 30 20 DBED CC(C)C#CC(=O)NC1CN(CC(=O)NC[C@@H]2CCCO2)C1 1753376517 SQQWSGKQQFVIQV-AWEZNQCLSA-N 307.394 -0.259 30 20 DBED COCC#CCN1CCO[C@@H](CNC(=O)Cc2nnc(C)o2)C1 1753650801 ZYQLVZISUNXMOG-ZDUSSCGKSA-N 322.365 -0.613 30 20 DBED C=C(C)CCNC[C@@H](O)CNC(=O)[C@@H]1CCc2nnn(C)c2C1 1753925629 NAUSWQUFMUIDLW-CHWSQXEVSA-N 321.425 -0.047 30 20 DBED C#CCCNC[C@@H](O)CNC(=O)c1cc(C)nc2c1cnn2C 1753932417 NTPGRUUNZRHBIZ-GFCCVEGCSA-N 315.377 -0.020 30 20 DBED C[C@H](CN(C)CC(=O)NCC#N)NC(=O)c1c[nH]nc1C1CC1 1754330264 KDYVXGJMXDTTPB-SNVBAGLBSA-N 318.381 -0.023 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CNC(=O)C[C@](C)(O)C1CC1 1754480427 HBSMOSXOSQLQLF-BBRMVZONSA-N 307.394 -0.523 30 20 DBED C#CCNC(=O)CN1CCOC[C@H]1CNC(=O)c1coc(C)c1 1754965674 NVANZEXTNXHNOR-CQSZACIVSA-N 319.361 -0.232 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)[C@H](OC)c1cnn(C)c1 1754969741 GIDBRUFJFHEPEG-UONOGXRCSA-N 306.366 -0.442 30 20 DBED C=CCNC(=O)CN[C@@H](C)[C@@H](C)NC(=O)C1(C(=O)NC)CC1 1755255003 BTVXVZAFRSJRSW-WDEREUQCSA-N 310.398 -0.702 30 20 DBED C#CCOCCC(=O)NC[C@H]1[C@@H]2CN(CC(=O)NC3CC3)C[C@H]12 1755422845 KQUCUBSTYHMHTM-QKDCVEJESA-N 319.405 -0.401 30 20 DBED C=CCNC(=O)CNC[C@H]1C[C@H](NC(=O)CNC(=O)OC)C1 1755465952 BSMOHUWJDCZJIE-XYPYZODXSA-N 312.370 -0.871 30 20 DBED N#CCNC(=O)CNC[C@H]1CC[C@@H](NC(=O)Cn2cccn2)C1 1755727987 BLHNYRAJTSVCOJ-QWHCGFSZSA-N 318.381 -0.603 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C[C@H](O)CNCc1cncn1C 1755779704 OOPWZOPVYUDWAV-TZMCWYRMSA-N 308.382 -0.633 30 20 DBED Cc1nn[nH]c1C(=O)NCCOCCCNC(=O)C#CC1CC1 1756401453 WMUVWOFPHWUKJB-UHFFFAOYSA-N 319.365 -0.221 30 20 DBED Cc1nn[nH]c1C(=O)N(C)C[C@H](C)NC(=O)CSCC#N 1756479653 NKOGHCZGEQQVQN-QMMMGPOBSA-N 310.383 -0.053 30 20 DBED C=C(C)C[C@@H](C)C(=O)NC[C@@H](O)CN(C)C(=O)c1ncn(C)n1 1756660997 PYCPGGDPRIZFGI-VXGBXAGGSA-N 323.397 -0.034 30 20 DBED C=CCOCC(=O)N(C)C1CC(NC(=O)[C@@H]2CCC(=O)N2)C1 1756737259 ZQMICGITYAXPDU-MCIGGMRASA-N 309.366 -0.427 30 20 DBED N#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCOC1 1801510825 UYPBWUZEPBDPSS-XPCVCDNBSA-N 321.377 -0.084 30 20 DBED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)OC)CCO2 1829941258 AYHZDQHYWBQQHQ-MRXNPFEDSA-N 324.377 -0.499 30 20 DBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)CCCOC)C2)C1 1839805603 OLDIVQARKFDTDB-MRXNPFEDSA-N 324.377 -0.497 30 20 DBED N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCNC(=O)C2)cc1 44959883 USXCMNQMSUNKMX-UHFFFAOYSA-N 321.358 -0.569 30 20 DBED CCN(C[C@H](C)C#N)C(=O)CN1CCN(C(=O)CN(C)C)CC1 128713960 MBZAFJIRFBLEOO-CQSZACIVSA-N 323.441 -0.300 30 20 DBED C/N=C(/NCCNS(C)(=O)=O)NCc1c(C)noc1C 179010275 PBXBNUSHGFGOBN-UHFFFAOYSA-N 303.388 -0.494 30 20 DBED C#CCNC(=O)c1ccc(NCCNS(=O)(=O)CC)nc1 264884522 RSLBWNCENYOZTB-UHFFFAOYSA-N 310.379 -0.204 30 20 DBED N#CCN1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 265738545 FHWBQRQSZAVANE-UHFFFAOYSA-N 305.294 -0.576 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(C)C[C@@H]2CCOC2)C1=O 267442358 OJWMSMVAGBXJQN-JTQLQIEISA-N 309.322 -0.542 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@H](O)C(C)(C)C2)C1=O 275721818 ABAZSAJLFBGGGT-JTQLQIEISA-N 323.349 -0.417 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1CCS(=O)(=O)C[C@@H](C)C1 277587145 WJTPGJAXWAXFSZ-QWRGUYRKSA-N 317.411 -0.247 30 20 DBED CN(CC(=O)N1CCOCC1)S(=O)(=O)c1ccc(C#N)o1 286533429 OCRAFYLCSZTHGY-UHFFFAOYSA-N 313.335 -0.369 30 20 DBED C[C@@](CO)(CNS(=O)(=O)c1cncc(C#N)c1)CC(=O)O 290465241 DVQMFLVINOFSJB-LBPRGKRZSA-N 313.335 -0.295 30 20 DBED C#CCNC(=O)CCN1CCN(C(=O)[C@H]2CCCN2C)CC1 292845262 PYSRCRRLXCKURZ-CQSZACIVSA-N 306.410 -0.636 30 20 DBED CNC(=O)[C@H](C)NC(=O)C(=O)N1CCc2ccc(C#N)cc21 293458949 SOCZWFMPSYORHT-VIFPVBQESA-N 300.318 -0.302 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CCC[C@@](C)(O)C2)C1=O 297970998 VZTILEYNWNSEIP-BLLLJJGKSA-N 323.393 -0.395 30 20 DBED N#C[C@@H]1CC[C@H](N[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)C1 328825360 IYVZXHBCMGZQDA-XJFOESAGSA-N 313.423 -0.234 30 20 DBED CN1CCC(N(C)CCN(C)/C(O)=N/Cc2nnn(C)n2)CC1 330220579 KXQMPJPSAVZFSL-UHFFFAOYSA-N 324.433 -0.418 30 20 DBED COC(=O)C[C@H]1CCCN1/C(O)=N/CC(=O)N1CCOCC1 330691737 ZKSOKKPEZZKHGJ-LLVKDONJSA-N 313.354 -0.213 30 20 DBED N#Cc1ncn(CCNC(=O)c2ccccc2-n2cnnn2)n1 342881695 KPCNWIWPQPWZIB-UHFFFAOYSA-N 309.293 -0.445 30 20 DBED C[C@H]1CCN(S(=O)(=O)CCCS(=O)(=O)NCC#N)C1 349497864 CFPQMEZBAVIBCP-JTQLQIEISA-N 309.413 -0.509 30 20 DBED CC(C)N(C)C[C@@H](C)NS(=O)(=O)N1CCO[C@@H](C#N)C1 349785917 WDMZDWLAKOIVRC-NEPJUHHUSA-N 304.416 -0.226 30 20 DBED C=CCN1CC[C@@H](N(C)S(=O)(=O)C[C@H](C)C(=O)OC)C1=O 350223982 NBYBGXGHNQYNHH-WDEREUQCSA-N 318.395 -0.156 30 20 DBED C=C[C@@H](CO)NC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 356856925 QQDUZWPXWSSMMV-LBPRGKRZSA-N 323.374 -0.158 30 20 DBED N#CCNC(=O)CNC(=O)N1CC[C@H](Oc2ccncc2)C1 358268062 BAGNKUNPNZPZSB-LBPRGKRZSA-N 303.322 -0.116 30 20 DBED Cn1c(NCCCCS(C)(=O)=O)c(C#N)c(=O)n(C)c1=O 425265932 YEAMVZQOPVBKPZ-UHFFFAOYSA-N 314.367 -0.808 30 20 DBED C=CCOC[C@H](NC(=O)[C@H](C)N1CCN(C)CC1)C(=O)OC 435951320 WJZHZGJXGSICQR-STQMWFEESA-N 313.398 -0.517 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)c2cncnc2C)CC1 491094108 HEBHBCQIAORFED-UHFFFAOYSA-N 315.377 -0.318 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)c2cncn2C)CC1 491348534 CYWGBRLHCFHBNJ-UHFFFAOYSA-N 303.366 -0.683 30 20 DBED CN(C)CCN(C)CCCNC(=O)Nc1nn(C)cc1C#N 590819742 TZAKSPPVWDBLMQ-UHFFFAOYSA-N 307.402 0.297 30 20 DBED CO[C@@H]1COC[C@@H]1NCCS(=O)(=O)c1ccc(C#N)cn1 591770711 JLHUCSHXJQYJJI-NWDGAFQWSA-N 311.363 -0.270 30 20 DBED CN1C[C@@H](C(=O)N2CCN(c3ccc(C#N)cn3)CC2)NC1=O 596886790 QNIDYIVPQXWWDG-LBPRGKRZSA-N 314.349 -0.375 30 20 DBED CCN(CCC#N)C(=O)Cn1cc(CN2CCNCC2)nn1 603208694 JHWHIOAXDHMXLY-UHFFFAOYSA-N 305.386 -0.555 30 20 DBED CS(=O)(=O)NCCNC(=S)NNc1ccc(C#N)cc1 727076253 PZEWQSZHSUZZBE-UHFFFAOYSA-N 313.408 -0.102 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCN1CCN(C(C)=O)CC1 730279277 XDGUWOSRSHBQSR-HNNXBMFYSA-N 306.410 -0.636 30 20 DBED N#CCCNC(=O)COC(=O)Cn1cc([N+](=O)[O-])ccc1=O 748916915 LOXKYVNFHHCLGI-UHFFFAOYSA-N 308.250 -0.670 30 20 DBED CN(C)C(=O)Cn1cc(C(=O)OCc2ccnc(C#N)c2)nn1 754720974 ZMIUCARRERSNLU-UHFFFAOYSA-N 314.305 -0.010 30 20 DBED COCC(=O)N(C)CC(=O)NS(=O)(=O)CC1(C#N)CCC1 771075078 GQWRYOUDCFVSOY-UHFFFAOYSA-N 317.367 -0.769 30 20 DBED CCOC(=O)CON=C(C(=O)N1C[C@@H](O)[C@H](C)C1)c1cc[nH]n1 772523298 ZMDOXCWLXYFDQP-MWLCHTKSSA-N 324.337 -0.467 30 20 DBED Cn1c(=O)c2c(ncn2CC(=O)OCC2(C#N)CC2)n(C)c1=O 775827263 IQFAXQWYJSUVRT-UHFFFAOYSA-N 317.305 -0.719 30 20 DBED C=CCS(=O)(=O)CCNS(=O)(=O)c1ccnn1COC 795159203 GGMCSTDEWJPXED-UHFFFAOYSA-N 323.396 -0.634 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCc2ccon2)C1=O 806398805 UBVYZXGFVNXAID-LLVKDONJSA-N 306.322 -0.464 30 20 DBED C=CCC1(S(=O)(=O)NC(=O)c2cn(C)c(=O)nc2O)CC1 810983641 WKMYJFNONMBPDN-UHFFFAOYSA-N 313.335 -0.346 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@@](C)(O)C2CCC2)CC1 813442934 VJOFHPZYPJZCGL-KRWDZBQOSA-N 321.421 -0.179 30 20 DBED CNC(=O)CNC(=S)NN=Cc1ccc(C(=O)OC)n1C 814845213 UTQSGZURJGPEOT-UHFFFAOYSA-N 311.367 -0.644 30 20 DBED C#CCNC(=O)[C@@H](C)OC(=O)c1cc(-c2nn[nH]n2)cn1C 819701481 JAYKOUGIVLXCMM-MRVPVSSYSA-N 302.294 -0.500 30 20 DBED CCn1ncn(NC(=O)CNC(=O)c2ccc(C#N)cc2)c1=O 820397040 QOSXJPCRSFPXOH-UHFFFAOYSA-N 314.305 -0.564 30 20 DBED C[C@@H](CNC(=O)C(=O)NCCNc1ncccc1C#N)C(=O)O 848606924 MNKFLQYPJHVAOL-VIFPVBQESA-N 319.321 -0.682 30 20 DBED C#CCN(CC(=O)O)S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] 849218898 AZWCQUXZHCBCDH-UHFFFAOYSA-N 316.295 -0.480 30 20 DBED C=C[C@H](CO)NCCC(=O)NN1C(=O)NC2(CCCCC2)C1=O 852714337 IMLFFPWBFXZHDH-LLVKDONJSA-N 324.381 -0.201 30 20 DBED C#CCCN(CCOC)C(=O)NCCS(=O)(=O)N(C)C 854084128 CLGZVBNIGZMXQO-UHFFFAOYSA-N 305.400 -0.441 30 20 DBED C#CCNS(=O)(=O)N1CCN(c2nc(CC)ns2)CC1 872631845 JZZCGLKBIWVOID-UHFFFAOYSA-N 315.424 -0.310 30 20 DBED C#CCN1CCC[C@@H](NC(=O)[C@@H]2CC(=O)N(CCOC)C2)C1 923588160 HYZANKSTENWHDX-ZIAGYGMSSA-N 307.394 -0.305 30 20 DBED CN1CC[C@H]1CNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 928569407 UUGNZPAGYZTPJI-JTQLQIEISA-N 322.390 -0.455 30 20 DBED N#CCN1CCN(C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)CC1 933237311 HPXUUQVNQDRITG-CABCVRRESA-N 322.409 -0.466 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)CN2C(=O)CCC2=O)C1 937931374 XOCIVKDCOHIVPW-UWVGGRQHSA-N 306.322 -0.988 30 20 DBED C#CCCN1CC[C@H](NC(=O)Cn2c(O)nnc2O)[C@H](C)C1 944344554 AYLWSGVPMQGEEH-MNOVXSKESA-N 307.354 -0.461 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@H]3[C@H](CCN3C(=O)C(N)=O)C2)c1 945914948 QGOBAKBSWYBVGS-PWSUYJOCSA-N 315.333 -0.565 30 20 DBED C=CCN1CC[C@@H](N2CCN(C(=O)Cn3nccn3)CC2)C1=O 948545312 NANIFQWCJDNDAP-CYBMUJFWSA-N 318.381 -0.791 30 20 DBED Cn1nnc(C(=O)NCC2CCN(C(=O)C#CC3CC3)CC2)n1 948921101 XAMDEURVDNOVPK-UHFFFAOYSA-N 316.365 -0.408 30 20 DBED CC#CCN1CCC2(CC1)CN(C(=O)[C@H]1CNC(=O)N1)CCO2 949174244 MCXHFALFTBFYHW-CYBMUJFWSA-N 320.393 -0.616 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@@H]2CNC(=O)c2cnn[nH]2)cn1 950994606 FFMIWPCBZXCJGZ-GFCCVEGCSA-N 310.317 -0.175 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1cnn[nH]1 951000967 NRPFQLPCGPSZBT-FOGDFJRCSA-N 305.338 -0.274 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]1CNC(=O)c1ccn2nnnc2c1 951455958 ZACMOJRWKKEPTD-MWLCHTKSSA-N 313.321 -0.385 30 20 DBED C#CCCN1CCN(C(=O)c2nc(O)nc(O)c2OC)CC1 957315055 VFNFMBQAOBNQCR-UHFFFAOYSA-N 306.322 -0.323 30 20 DBED C#CCCN1C[C@@H](O)[C@@H](CNC(=O)c2cnc(O)cc2OC)C1 958412609 GWJADIDCLQBIGW-WCQYABFASA-N 319.361 -0.158 30 20 DBED C#CCN1C[C@H](CNC(=O)c2ccc(CNC(C)=O)o2)[C@@H](O)C1 958485408 LLBLXBHQGXHMQQ-JSGCOSHPSA-N 319.361 -0.429 30 20 DBED C[C@H](NC(=O)c1cc(C#N)c[nH]1)[C@@H]1CCN(C(=O)C(N)=O)C1 959259064 ZGAQLTLXODOEDO-WCBMZHEXSA-N 303.322 -0.662 30 20 DBED N#Cc1ccc(F)cc1CN1C[C@H]2[C@H](NC(=O)C(N)=O)[C@H]2C1 961635861 HAAFSZSHJGHDOA-ITGUQSILSA-N 302.309 -0.271 30 20 DBED CC#CCN1C[C@H]2C(NC(=O)c3cnn4c(=O)cc[nH]c34)[C@@H]2C1 961985472 UUACOVOBGCOQGF-VXGBXAGGSA-N 311.345 -0.294 30 20 DBED C=C[C@@](C)(CC)C(=O)N1C[C@H](O)[C@H](NC(=O)Cn2nccn2)C1 964029528 ZYIGADZQBPLELI-XUJVJEKNSA-N 321.381 -0.432 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CCNC1=O 969534621 CHIBRTDYIYTSOC-YFKTTZPYSA-N 304.350 -0.516 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C(F)F)C[C@@H]1O 970702684 XIVUZNAHFVZYAY-IMSYWVGJSA-N 304.293 -0.470 30 20 DBED C=CCCN1CCO[C@]2(CCN(C(=O)[C@@H]3CNC(=O)N3)C2)C1 972526426 JQHHUFIURUQGPK-SWLSCSKDSA-N 308.382 -0.453 30 20 DBED C=C(C)CN1CCO[C@]2(CCN(C(=O)[C@@H]3CNC(=O)N3)C2)C1 972527064 PYQRILGNKMHBGY-SWLSCSKDSA-N 308.382 -0.453 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)Cc3nc[nH]n3)C2)cn1 973485170 MWFAWVFMXSEUSZ-JOCQHMNTSA-N 324.344 -0.199 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@@H]2Cc3cncn3C(=O)N2)C(C)(C)C1 974880647 PQUIPRZPKFHCPQ-QWHCGFSZSA-N 315.377 -0.175 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)c3cnn(C)c3N)[C@H]2C1 976387389 IAKBBJZWBNIKAQ-CPOMMVLXSA-N 302.338 -0.651 30 20 DBED C#CCCN1C[C@@H]2C(CNC(=O)c3cc(=O)n(C)cn3)[C@H]2C1 978315395 ZVCOZJSGRCNMGL-CHWSQXEVSA-N 300.362 -0.289 30 20 DBED Cc1nnc2n1C[C@@H](C(=O)NC[C@H]1[C@@H]3CN(CC#N)C[C@H]13)CC2 979099642 HEPSMZPFJGUOAC-XDQVBPFNSA-N 314.393 -0.034 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](CN[C@@H]2CCNC2=O)C1 984826452 UGCWDIJLSGHPDX-KSTCHIGDSA-N 307.394 -0.050 30 20 DBED COc1c(O)nc(O)nc1C(=O)N1CC[C@@H](NCC#N)[C@H]1C 987347786 BGQAKIVOSXQFJV-HTQZYQBOSA-N 307.310 -0.387 30 20 DBED COc1c(O)nc(O)nc1C(=O)N1C[C@@H](NCC#N)C[C@H]1C 989677722 YFYAERYLPWGJLN-SFYZADRCSA-N 307.310 -0.387 30 20 DBED N#Cc1ccc(C(=O)N2CC(NC(=O)[C@H]3CCC(=O)N3)C2)[nH]1 990486702 NZOVEAJUOZTZEQ-SNVBAGLBSA-N 301.306 -0.894 30 20 DBED C=CCN1CC[C@]2(NC(=O)CN3CCNC(=O)C3)CCC[C@@H]12 992083056 DJWCMMUDILKGIT-CZUORRHYSA-N 306.410 -0.283 30 20 DBED C[C@H](C#N)C(=O)N1CC(N2C[C@@H](NC(=O)C(F)F)CC2=O)C1 995465268 PFSAVCCSGRPEBV-SFYZADRCSA-N 314.292 -0.661 30 20 DBED C#CCN1CCC(NC(=O)[C@@H]2Cc3cncn3C(=O)N2)CC1 1003366922 KRQBVHDKZXAPFH-ZDUSSCGKSA-N 301.350 -0.421 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@@]3(NC(=O)C(N)=O)CCC[C@H]23)c1 1014444518 JLIPXDVUJJFWHY-NHYWBVRUSA-N 315.333 -0.375 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 1015456840 PCDNJLCNMBAGTQ-NSHDSACASA-N 314.353 -0.479 30 20 DBED Cc1ccc(=O)n(CC(=O)N2[C@H]3CC[C@H]2CN(CC#N)C3)n1 1018204810 IQIZJCCWRDFQOM-STQMWFEESA-N 301.350 -0.250 30 20 DBED C=CCn1cc(C(=O)N[C@H]2C[C@H](NCc3nnn(C)n3)C2)nn1 1020700370 PAOQQXVZZSNHLQ-MGCOHNPYSA-N 317.357 -0.962 30 20 DBED N#Cc1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCO3)C2)[nH]1 1022991455 HZGGBLQQWCMBTO-JHJVBQTASA-N 318.333 -0.633 30 20 DBED CCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2O)c(C)n1 1023732942 ULWNLXMUJQTXQD-ZWKOPEQDSA-N 319.365 -0.327 30 20 DBED C=CCN1CCCC[C@@H]1CNC(=O)[C@H]1CCS(=O)(=O)N1 1024806801 MMRRGXPQLDRNBQ-VXGBXAGGSA-N 301.412 -0.165 30 20 DBED C[C@H](NC(=O)c1nccnc1C(N)=O)[C@H]1CCCN(CC#N)C1 1025614034 FGWKTDARWNYSSW-QWRGUYRKSA-N 316.365 -0.071 30 20 DBED C#CCN(C)[C@@H]1CCCN(C(=O)CN2C(=O)CN(C)C2=O)C1 1027674039 PRGBMOUGXOISQG-GFCCVEGCSA-N 306.366 -0.564 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)[C@H]1CCN(CC(=O)N(C)C)C1 1033163016 WZKFWFGMJURIJX-GJZGRUSLSA-N 320.437 -0.295 30 20 DBED COc1c(O)nc(O)nc1C(=O)N1CC[C@H](NCC#N)[C@H](C)C1 1036255900 FBXGVVPCALUWHP-BDAKNGLRSA-N 321.337 -0.140 30 20 DBED C#CCCN1CC[C@@H]2CN(C(=O)C3CC(=O)NC(=O)C3)CC[C@@H]21 1036843001 XSSONXFYXFWNJJ-OCCSQVGLSA-N 317.389 -0.015 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2[C@H]3C[C@H]2N(CCn2cncn2)C3)[nH]1 1037370017 CGZMVNBNAQIGFN-ZLKJLUDKSA-N 311.349 -0.019 30 20 DBED C=C(C)CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)CN1C(=O)CNC1=O 1037723417 UNPCQFHAVVDYNE-UHIISALHSA-N 306.366 -0.307 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2CCN2[C@@H]2CCNC2=O)nn1 1038788964 DAESMPAKQSAIKA-ZYHUDNBSSA-N 304.354 -0.843 30 20 DBED C#CCN1CCC(C(=O)NC[C@H]2CCN2CC(=O)N(C)C)CC1 1039041489 DTAWXVYVQJAYFT-OAHLLOKOSA-N 320.437 -0.390 30 20 DBED C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1nnc(O)nc1O 1039401977 YXGYAUBDHHZHDU-ZJUUUORDSA-N 303.322 -0.405 30 20 DBED O=C(C#CC1CC1)NC[C@]1(O)CCN(C(=O)c2cncnc2)C1 1039680864 OTMOAPJZKPVZPN-MRXNPFEDSA-N 314.345 -0.417 30 20 DBED COCC(=O)N1CC[C@@H]2OCCN(c3cnc(C#N)cn3)[C@@H]2C1 1039990094 NXFRJYNPCMGNPS-OLZOCXBDSA-N 317.349 -0.199 30 20 DBED C[C@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)c2cccn2C)C1 1040759365 AEXSXMKIOPYWOE-IAQYHMDHSA-N 304.350 -0.122 30 20 DBED Cc1cn(C)nc1C(=O)N1CC[C@](O)(CNC(=O)[C@H](C)C#N)C1 1040764244 VDLINQNOHSSQKT-BMIGLBTASA-N 319.365 -0.419 30 20 DBED C#CCCCC(=O)N1CC[C@@](O)(CNC(=O)Cn2cncn2)C1 1040963063 RVNNORYGTNPJJK-OAHLLOKOSA-N 319.365 -0.839 30 20 DBED C#Cc1ccc(C(=O)N2CC(O)(CNC(=O)COC)C2)cc1 1041159827 HJAINTWFJKGJDC-UHFFFAOYSA-N 302.330 -0.383 30 20 DBED C#Cc1ccc(C(=O)N2CC(O)(CNC(=O)CSC)C2)nc1 1041360862 KFCCJLMZXMATLX-UHFFFAOYSA-N 319.386 -0.271 30 20 DBED C=CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)c2cn[nH]c2)C1 1041662964 HGGYAPVTBXKWHG-SNVBAGLBSA-N 308.338 -0.696 30 20 DBED C=CCCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2cocn2)C1 1042047419 QDXULEIODCKVPO-NSHDSACASA-N 323.349 -0.041 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)COCC(F)F)C1 1042804664 FUVQOAABWLEHAK-UHFFFAOYSA-N 318.320 -0.239 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)c2ccccn2)C1 1043042839 XWKRUCGBQAZRQQ-GFCCVEGCSA-N 317.345 -0.577 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NCC1(O)CN(C(=O)C(F)F)C1 1043257636 VIYGBUYHXUBIAD-ZJUUUORDSA-N 318.320 -0.078 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)CCn2cccc2)C1 1045272922 RASMFMHCZSHDHI-LBPRGKRZSA-N 304.350 -0.273 30 20 DBED N#CCN1CC[C@H](N2CCN(C(=O)[C@H]3CCC(=O)NC3)CC2)C1 1046042814 NJDNSPYBWKJNNN-KBPBESRZSA-N 319.409 -0.745 30 20 DBED N#CCN1CC[C@@H](N2CCN(C(=O)[C@@]3(F)CCOC3)CC2)C1 1046055815 HWCDBXHJNMBZJL-UKRRQHHQSA-N 310.373 -0.143 30 20 DBED N#CCN1CC[C@@H](N2CCN(C(=O)Cn3cncn3)CC2)C1 1046083047 JTFGTHYMDLYBNU-CYBMUJFWSA-N 303.370 -0.980 30 20 DBED C=CCCOCC(=O)N1CC(O)(CNC(=O)c2nocc2C)C1 1046565231 RDJRLOJAQRIJPY-UHFFFAOYSA-N 323.349 -0.121 30 20 DBED CN(C(=O)c1cnc2[nH]cnc2c1)[C@H]1CN(CC#N)C[C@@H]1O 1047399745 LNQMHUCNLKWPQN-RYUDHWBXSA-N 300.322 -0.401 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C2(C)CC2)C1 1048957417 JHDWDGQHSBZOEI-AVGNSLFASA-N 308.378 -0.145 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCc2ccon2)C1 1049075466 PSJDNWIGEXXHRJ-DRZSPHRISA-N 320.349 -0.203 30 20 DBED CNC(=O)CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)C#N)C1 1049387914 CWBDMDOQGAYRRM-WOPDTQHZSA-N 324.381 -0.908 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCN(C)C)C1 1049429087 TUHFYGNMKVRSAH-STQMWFEESA-N 313.398 -0.829 30 20 DBED C[C@H](NC(=O)C#CC1CC1)[C@H]1CCN(C(=O)Cn2cnnn2)C1 1049966749 FIRIYICYKRQCOK-AAEUAGOBSA-N 316.365 -0.560 30 20 DBED C[C@@H]1[C@@H](NC(=O)[C@@H]2CNC(=O)N2)CCN1c1ccc(C#N)cn1 1050951618 CHAJPWGIBZQTTJ-USWWRNFRSA-N 314.349 -0.282 30 20 DBED CC#CCN1CCOC[C@H]1CNC(=O)c1ccnc2[nH]nnc12 1051018868 XVYBOWFPMJJCFP-LLVKDONJSA-N 314.349 -0.193 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)[C@@H]1CCc2cnn(C)c2C1 1051085971 ILBFQDGJPJUZTC-UKRRQHHQSA-N 316.405 -0.025 30 20 DBED C=CCN1CCN([C@H]2CCN(C(=O)[C@@H]3CN(C)CCO3)C2)CC1 1051999181 FYFGTBNLZBUNAM-HOTGVXAUSA-N 322.453 -0.279 30 20 DBED C[C@]1(C(=O)N2CC[C@@H](N3CCN(CC#N)CC3)C2)CCNC1=O 1052082720 VUTCXPYKFMOKGB-CJNGLKHVSA-N 319.409 -0.745 30 20 DBED CN1CC[C@H](N2CC3(CN(C(=O)C#CC4CC4)CCO3)C2)C1=O 1053244210 GQZRNXXLVHCRLN-AWEZNQCLSA-N 317.389 -0.456 30 20 DBED Cn1cncc1[C@@H]1C[C@H]1C(=O)N1CCOC2(CN(CC#N)C2)C1 1053435322 NUEIGKLZEQVDCV-CHWSQXEVSA-N 315.377 -0.040 30 20 DBED C=C(C)CN1CC2(C[C@@H](NC(=O)c3nnc(O)nc3O)CO2)C1 1053859005 XNWVLRPXFLZNOC-SECBINFHSA-N 321.337 -0.568 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)c3cccnc3C(N)=O)CO2)C1 1054012837 IYGKJDCOVOGBBB-NSHDSACASA-N 314.345 -0.613 30 20 DBED C=CCN1CC2(C[C@H](NC(=O)c3cc(C(N)=O)ccn3)CO2)C1 1054027686 SDLFLXGDSRBQOT-LBPRGKRZSA-N 316.361 -0.060 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2CN(C(=O)c3ncc[nH]3)C[C@@H]2C1 1055322316 AEEFBWGBHPGSOY-RWMBFGLXSA-N 316.361 -0.022 30 20 DBED CN1CC[C@@H](C(=O)N2CCN(c3ccc(C#N)nn3)CC2)C1=O 1055973411 HWCGDYDNHKAVKG-GFCCVEGCSA-N 314.349 -0.525 30 20 DBED N#Cc1nccnc1N[C@@H]1CCN(C(=O)[C@@H]2CCNC(=O)C2)C1 1056599794 OTPUELBXEXEVSU-GHMZBOCLSA-N 314.349 -0.113 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@H]2CN(C(=O)COC)C[C@H]21 1056645998 RCPYDMNCVNJZMN-QWHCGFSZSA-N 321.377 -0.778 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)Cn1cccn1 1057193887 SNGKLLUBWZCDLH-UHFFFAOYSA-N 310.354 -0.977 30 20 DBED C=C[C@](C)(O)CC(=O)NCCN(CCO)C(=O)c1cc[nH]c1 1057842240 QSTHRQAQIOAVJF-HNNXBMFYSA-N 309.366 -0.108 30 20 DBED C=CCCOCC(=O)N(CCO)CCNC(=O)CCN(C)C 1057920425 RLXRMEBGOKSHPR-UHFFFAOYSA-N 315.414 -0.532 30 20 DBED N#Cc1cnccc1N1CCC[C@@H](NC(=O)Cn2ncnn2)C1 1058197074 NSZDTRAWLGZULM-GFCCVEGCSA-N 312.337 -0.275 30 20 DBED C=CC(C)(C)C(=O)NCCN(CCO)C(=O)[C@H]1CCNC1=O 1058296678 OOJXWZDFCALQCL-NSHDSACASA-N 311.382 -0.728 30 20 DBED C[C@@]1(C(=O)N[C@@H]2CCN(c3ccc(C#N)nn3)C2)CCC(=O)N1 1058536701 PTOSTEZCNMTSJS-ABAIWWIYSA-N 314.349 -0.288 30 20 DBED N#Cc1ccc(N[C@H]2CCN(C(=O)Cn3cnnc3O)C2)nc1 1058855372 YMEVXVAPFDWODH-NSHDSACASA-N 313.321 -0.037 30 20 DBED CN1CCO[C@@H](C(=O)N2CC[C@H](N=c3cc[nH]c(C#N)n3)C2)C1 1058857119 KQKKTUOOBREKAT-NWDGAFQWSA-N 316.365 -0.886 30 20 DBED C=C[C@@](C)(CC)C(=O)NCCN(CCO)C(=O)Cc1nc[nH]n1 1058890875 NNMDPBPAUVPZAM-HNNXBMFYSA-N 323.397 -0.113 30 20 DBED CN1CC[C@H](C(=O)N[C@H]2C[C@@H](N=c3cc[nH]cc3C#N)C2)C1=O 1059786378 OSERIGMWNJCYFJ-FRRDWIJNSA-N 313.361 -0.087 30 20 DBED C=CCCO[C@H](C)C(=O)N1CCOC[C@@H]1CNC(=O)COC 1061193020 LONWUAQYKGYURB-OLZOCXBDSA-N 314.382 -0.042 30 20 DBED C#CCOCCC(=O)N1CCOC[C@@H]1CNC(=O)COCC 1061248847 ZKQKTLTYTQVPPO-ZDUSSCGKSA-N 312.366 -0.594 30 20 DBED CO[C@@H](C)C(=O)NC[C@@H]1COCCN1C(=O)c1ccc(C#N)[nH]1 1061367992 VRZOYNCTHDIYRA-CMPLNLGQSA-N 320.349 -0.122 30 20 DBED O=C(Cc1ncc[nH]1)NC[C@@H]1COCCN1C(=O)C#CC1CC1 1061816941 ACCYFAZTFTZMKG-CYBMUJFWSA-N 316.361 -0.291 30 20 DBED Cc1cnc(C(=O)N2CCOC[C@@H]2CNC(=O)[C@H](C)C#N)cn1 1061846929 QWLCMUMWDHMFPX-PWSUYJOCSA-N 317.349 -0.098 30 20 DBED C#CCCCC(=O)NCC1(NC(=O)Cn2cnnn2)CCC1 1062866605 JTTDMRWLQXSGHP-UHFFFAOYSA-N 304.354 -0.368 30 20 DBED CC(C)N(C)CC(=O)N1CCO[C@H](CNC(=O)[C@@H](C)C#N)C1 1065253935 ORCUKENFEKELKV-QWHCGFSZSA-N 310.398 -0.170 30 20 DBED C[C@]1(NC(=O)[C@@H]2CCNC2=O)CCN(c2ccnc(C#N)n2)C1 1065312603 UAJVBFOBMJSHAC-BMIGLBTASA-N 314.349 -0.431 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CCCN(C(=O)CC(N)=O)CC1 1066169888 NADBRKGHNMEMPQ-NWDGAFQWSA-N 309.366 -0.603 30 20 DBED N#Cc1cccnc1N1C[C@@H](O)[C@H](CNC(=O)c2cccnn2)C1 1067678990 XODYSBZPJHJWIV-TZMCWYRMSA-N 324.344 -0.030 30 20 DBED C[C@H](C#N)C(=O)N(C)CCCN(C)C(=O)[C@H]1CCN(C)C1=O 1067982471 UBASPCANUHGPLC-VXGBXAGGSA-N 308.382 -0.069 30 20 DBED C[C@@H]1[C@H](N=c2cc[nH]cc2C#N)CCN1C(=O)Cn1cnnn1 1068776245 DDNWZFYXRMDZTI-ZYHUDNBSSA-N 312.337 -0.537 30 20 DBED C=CCCC(=O)N1CC2(C[C@@H](NC(=O)[C@H]3CNC(=O)N3)CO2)C1 1068988203 CARWZNVVNHWNSB-GHMZBOCLSA-N 322.365 -0.880 30 20 DBED C=CCN[C@@H]1CN(C(=O)C[C@@H]2CCNC2=O)C[C@@H]1n1ccnn1 1070209122 NDAAXIYETTXCRM-XQQFMLRXSA-N 318.381 -0.668 30 20 DBED C=CCCC(=O)NCC1(NC(=O)[C@H]2C[C@H]2C(N)=O)CCOCC1 1070255533 GCAIFUKXFJEFKF-NEPJUHHUSA-N 323.393 -0.144 30 20 DBED C=C(C)CN[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@@H]1n1ccnn1 1070275639 XKGCOMTVSGNYHY-XQHKEYJVSA-N 318.381 -0.683 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)C[C@H]2COC(=O)C2)CC1 1070956549 ROUABGNPQHTVRE-CYBMUJFWSA-N 323.393 -0.224 30 20 DBED CC#CCN1CCN([C@@H]2CCCN(C(=O)CC(N)=O)C2)C(=O)C1 1071260505 SPUUZLBCEWDYGE-CYBMUJFWSA-N 320.393 -0.980 30 20 DBED C#CCOCCC(=O)N[C@H]1CN(C(=O)CC(=O)NC)C[C@H]1C 1071976247 YRSWBKPHRBMTRM-NEPJUHHUSA-N 309.366 -0.875 30 20 DBED C#CCCCC(=O)NCC1(O)CCN(C(=O)CNC(C)=O)CC1 1074429944 IMRGHZFEEMDNEZ-UHFFFAOYSA-N 323.393 -0.604 30 20 DBED C#CCCN1C[C@@H]2CCN(C(=O)c3cn(C)c(=O)cn3)[C@@H]2C1 1076064033 KJYNPUOVOXAPPF-GXTWGEPZSA-N 300.362 -0.050 30 20 DBED C[C@@H](C(=O)N(C)C)N1C[C@@H](O)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 1076898455 JVFTZRJBPLNYJJ-ZWKOPEQDSA-N 319.365 -0.862 30 20 DBED CCS(=O)(=O)CC(=O)NCC[C@H](C)NC(=O)[C@@H](C)C#N 1076921313 WHSDRQFUDKQSSM-UWVGGRQHSA-N 303.384 -0.408 30 20 DBED Cn1cc(-c2c[nH]cc2C(=O)N[C@@H]2CN(CC#N)C[C@H]2O)cn1 1076988371 GBEVFWZOFDXJTJ-ZIAGYGMSSA-N 314.349 -0.286 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCc3nn[nH]c32)C1 1077584845 GYMTVEHAWZWOBL-CYZMBNFOSA-N 303.366 -0.591 30 20 DBED O=C(N[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1O)c1cnon1 1077872242 HUZWBCUFUGIZDU-HUUCEWRRSA-N 312.329 -0.104 30 20 DBED C[C@@H](CCNC(=O)[C@@H](C)C#N)NC(=O)CN1C(=O)CCC1=O 1078139273 LPEZMWPLCVCMGP-UWVGGRQHSA-N 308.338 -0.694 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)c2cnc(OCC)cn2)C1 1078284681 FHBJWMQTEPIHPR-CHWSQXEVSA-N 304.350 -0.327 30 20 DBED C#CCN[C@@H]1C[C@H](NC(=O)CN2CCC(=O)NC2=O)C12CCC2 1078773841 OOSQXUHQOJVALK-NEPJUHHUSA-N 318.377 -0.422 30 20 DBED N#CCN[C@@H]1C[C@@H](NC(=O)c2nccnc2C(N)=O)C12CCC2 1078804285 TYSWVQXJQPHTIP-NXEZZACHSA-N 314.349 -0.270 30 20 DBED CCN(C(=O)CCNC(=O)NC)C1CN(C(=O)[C@@H](C)C#N)C1 1079717830 DXKPILHNPMPCDP-JTQLQIEISA-N 309.370 -0.476 30 20 DBED CCN(C(=O)CCc1cnn[nH]1)C1CN(C(=O)[C@@H](C)C#N)C1 1080574965 XSOHAZFQWLQXSJ-JTQLQIEISA-N 304.354 -0.044 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](CNC(=O)CNC(C)=O)[C@@H](O)C1 1081202869 VQZUCETXXNSEEY-RYUDHWBXSA-N 311.382 -0.730 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)c2cnn(C)c2)C[C@@H]1O 1081441236 GCJWMNSENQEYME-OCCSQVGLSA-N 318.377 -0.227 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@H](CNC(=O)c2ccn(C)n2)C1 1081496214 GYCVKLYEMUPEHW-OCCSQVGLSA-N 318.377 -0.371 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@H](CNC(=O)CCN(C)C)C1 1081730485 SVECDWZNEKFMLG-KGLIPLIRSA-N 309.410 -0.467 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CCCCN1C(=O)[C@H]1CCC(=O)N1 1081957653 BTZYJSHXTPKSHB-GRYCIOLGSA-N 306.366 -0.078 30 20 DBED C=CCOCC(=O)N1CCCC[C@H]1CNC(=O)[C@H]1CCC(=O)N1 1081957713 FKQIZDTZLGBDOZ-QWHCGFSZSA-N 323.393 -0.035 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)Cc2cc(CC)nn2C)C1 1083658813 RYRXCHUVGYJDHE-CABCVRRESA-N 304.394 -0.290 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CC[C@H](C)N(c2nccnc2C#N)C1 1089117136 YZUFKLABKVTKON-CMPLNLGQSA-N 316.365 -0.042 30 20 DBED C=CCCN1CC[C@H](NC(=O)c2cn(C)c(=O)nc2O)[C@H](O)C1 1090805669 PIKOIROXJUBZAZ-NWDGAFQWSA-N 322.365 -0.773 30 20 DBED C=CCCN1CC[C@H](NC(=O)c2cncc(C(N)=O)c2)[C@H](O)C1 1090820078 MIQQPEZPBWGOMK-UONOGXRCSA-N 318.377 -0.078 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(c2nccc(OC)n2)C[C@@H]1O 1091116072 INCIQMLXTMCWIE-NEPJUHHUSA-N 322.365 -0.256 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(c2nccc(C)n2)C[C@@H]1O 1091153284 ZEYTZYJMGNXKQJ-UPJWGTAASA-N 304.350 -0.511 30 20 DBED CNC(=O)CC(=O)NC[C@H]1C[C@H](Nc2cnc(C#N)cn2)C1 1091448864 OCLVMHCAZYZCGV-MGCOHNPYSA-N 302.338 -0.209 30 20 DBED CCOCCC(=O)N[C@H]1CCN(c2ccc(C#N)nn2)C[C@@H]1O 1092154131 RUEOXWJGAYORCF-STQMWFEESA-N 319.365 -0.169 30 20 DBED C=CCCOCC(=O)N1CCN(c2ccc3nnnn3n2)CC1 1093161311 UMGCNCKTJPBXTQ-UHFFFAOYSA-N 317.353 -0.239 30 20 DBED N#Cc1ccc(NCCNC(=O)c2cccn3c(O)nnc23)nn1 1093760607 BVUXZLLYHAWTFC-UHFFFAOYSA-N 324.304 -0.062 30 20 DBED Cn1ncc(C(=O)NCCN=c2cc[nH]c(C#N)n2)c1Cl 1094251560 POPJSUSSIXMNMB-UHFFFAOYSA-N 305.729 -0.001 30 20 DBED Cc1nc(C(=O)NCc2cn(C3CN(CC#N)C3)nn2)co1 1094286923 ZVBBEJZRQGYBJE-UHFFFAOYSA-N 301.310 -0.115 30 20 DBED C#CCN1CCN(C(=O)c2[nH]ccc2C)[C@@H]2CS(=O)(=O)C[C@@H]21 1094629604 MTPGVYOYHRVZOF-QWHCGFSZSA-N 321.402 -0.120 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)c3ccns3)CC2=O)C1 1094743557 IFRYVYASLREOBS-SNVBAGLBSA-N 304.375 -0.209 30 20 DBED N#Cc1cnc(NCCCNC(=O)c2nnc(O)nc2O)cn1 1094888306 MWJDKVNXZDDNQF-UHFFFAOYSA-N 316.281 -0.824 30 20 DBED COC(=O)NCC(=O)N1CC[C@H](N(C)c2cncc(C#N)n2)C1 1095093464 OKOZXJAYPPALPP-NSHDSACASA-N 318.337 -0.259 30 20 DBED COC(=O)NCC(=O)NC1CCN(c2nccnc2C#N)CC1 1095394478 NSISOQDAQBOZNT-UHFFFAOYSA-N 318.337 -0.211 30 20 DBED CNC(=O)NCCC(=O)N[C@@H]1CCN(c2ccncc2C#N)C1 1096369171 UCOSTNZRMXNTGF-GFCCVEGCSA-N 316.365 -0.033 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC[C@H](Nc2nccn3nnnc23)C1 1096933052 XRHHNPYDHSKXIF-HZMBPMFUSA-N 317.353 -0.141 30 20 DBED C[C@@H](CNC(=O)CCc1nc[nH]n1)N=c1cc[nH]c(C#N)n1 1097778813 AJFJTIAHLZSWJS-VIFPVBQESA-N 300.326 -0.562 30 20 DBED C[C@@H](CNC(=O)C[C@@H]1CCC(=O)N1C)N=c1cc[nH]c(C#N)n1 1098184891 IHUQDGKPOAUTLO-QWRGUYRKSA-N 316.365 -0.302 30 20 DBED C=CCCN(CCO)C1CCN(C(=O)[C@H]2COC(=O)N2)CC1 1098360136 YDBBVORVMPKLPZ-CYBMUJFWSA-N 311.382 -0.044 30 20 DBED C[C@H](CC(=O)N1CCC(N(CC#N)CCO)CC1)NC(N)=O 1098368886 LLIDRIBRPNTXEV-LLVKDONJSA-N 311.386 -0.758 30 20 DBED C[C@@H]1CN(C)C[C@H](C(=O)N2CCC(N(CC#N)CCO)CC2)O1 1098404535 OUKALYQQEAJWRW-UKRRQHHQSA-N 324.425 -0.486 30 20 DBED C=CCOCC(=O)N1CC[C@H](n2cc(CNCCCO)nn2)C1 1098636664 CXIVDIWTLMCCEF-AWEZNQCLSA-N 323.397 -0.274 30 20 DBED C=CCNCc1cn([C@@H]2CCN(C(=O)CC(=O)N(C)C)C2)nn1 1098744888 DDTPHYCDZZYRFF-CYBMUJFWSA-N 320.397 -0.195 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)c2cnsn2)[C@@H](O)C1 1099690505 PKUQSHSYFFYOHO-PWSUYJOCSA-N 312.395 -0.094 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)c2cn(C)nn2)[C@@H](O)C1 1099802575 XSZJRQFUZYBYKR-YPMHNXCESA-N 309.370 -0.817 30 20 DBED CCn1cc(CN2CC[C@@H](NC(=O)C#CC3CC3)[C@H](O)C2)nn1 1099826306 JGWFZFSDWGYNAC-HUUCEWRRSA-N 317.393 -0.237 30 20 DBED CN(CCNC(=O)CCn1cncn1)c1cncc(C#N)n1 1099934541 XQQAHZCFOPKEDN-UHFFFAOYSA-N 300.326 -0.418 30 20 DBED CCn1cc(C(=O)N[C@@H]2CCN(CC#CCOC)C[C@H]2O)nn1 1100054151 UFUITHWSCFHSEZ-TZMCWYRMSA-N 321.381 -0.887 30 20 DBED CCn1ncc(C(=O)NCCN(C)c2nccnc2C#N)n1 1100061341 ZNYOEPNKJXGJCX-UHFFFAOYSA-N 300.326 -0.174 30 20 DBED CN1CC[C@H](CC(=O)NCCN(C)c2cncc(C#N)n2)C1=O 1100194792 NTJWYJRSSCYFIK-LLVKDONJSA-N 316.365 -0.231 30 20 DBED CCN(CCNC(=O)C1CS(=O)(=O)C1)c1ccc(C#N)cn1 1100623997 OQTZTTJIUHFQFM-UHFFFAOYSA-N 322.390 -0.060 30 20 DBED CN(CCN=c1cc[nH]cc1C#N)C(=O)[C@@H]1CCNC(=O)C1 1101548505 STRYSJPRYBGOMA-LLVKDONJSA-N 301.350 -0.228 30 20 DBED COCC1(C(=O)NC[C@@H]2CN(CC(=O)NCC#N)C[C@H]2C)CC1 1102149631 CRTNBQVDRQQIDJ-CHWSQXEVSA-N 322.409 -0.263 30 20 DBED N#CCNCc1cn(C2CN(C(=O)CO[C@@H]3CCOC3)C2)nn1 1105238422 ZHKIFAUAQJKWAU-CYBMUJFWSA-N 320.353 -0.920 30 20 DBED Cn1nccc1C(=O)NC[C@@H](O)CNc1ccc(C#N)nc1 1105740284 WROHABPDSXGVJJ-LBPRGKRZSA-N 300.322 -0.110 30 20 DBED C[C@@H](C(=O)NC[C@H](O)CNc1ccc(C#N)nn1)n1cccn1 1105766745 DXLUSHJQRRETFD-CMPLNLGQSA-N 315.337 -0.305 30 20 DBED COCCOCC(=O)NC[C@@H](O)CNc1nc(C)cc(C#N)n1 1105773565 JQZJHDKBBFWHPB-GFCCVEGCSA-N 323.353 -0.791 30 20 DBED Cc1nc(NC[C@@H](O)CNC(=O)c2cnon2)ccc1C#N 1105928886 VCCUJWYBBGECGK-SNVBAGLBSA-N 302.294 -0.153 30 20 DBED C[C@@H](CCNc1nccnc1C#N)NC(=O)[C@H]1CN(C)CCO1 1106294131 OYVURBONKNSGEN-WCQYABFASA-N 318.381 -0.014 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)CCCS(N)(=O)=O)C[C@H]1C 1106611684 AOCSFHWPYRXPRF-CHWSQXEVSA-N 315.439 -0.238 30 20 DBED CCN(CCNc1cncc(C#N)n1)C(=O)CCNC(N)=O 1106764368 YAUCEZUYDPNBFZ-UHFFFAOYSA-N 305.342 -0.333 30 20 DBED CCN(CCNc1cncc(C#N)n1)C(=O)Cn1ncnn1 1106852025 SKWMTLZTJVEJQK-UHFFFAOYSA-N 301.314 -0.705 30 20 DBED C=CCO[C@@H](C)C(=O)NCc1cn(C2CN(CC#N)C2)nn1 1107240860 HNDZUFXJSZVZSU-NSHDSACASA-N 304.354 -0.134 30 20 DBED CNC(=O)CN1CCO[C@](C)(CNC(=O)C#CC(C)(C)C)C1 1107934601 GKZMGMFZOAJKCA-MRXNPFEDSA-N 309.410 -0.011 30 20 DBED COCCn1cc(C(=O)NC[C@]2(C)CN(CC#N)CCO2)nn1 1107940271 RIVQHYHUNHNOAD-CQSZACIVSA-N 322.369 -0.731 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)c1cnc(O)n1C 1108041150 FHAVIPIBRCWQSE-MRVPVSSYSA-N 301.310 -0.560 30 20 DBED C[C@@H](CNc1ccc(C#N)nn1)NC(=O)[C@H]1CCS(=O)(=O)C1 1108604528 JUZPQHGMLYNAHM-UWVGGRQHSA-N 323.378 -0.300 30 20 DBED Cn1nccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1109025234 INYKBQHYFXHUOO-WOPDTQHZSA-N 316.365 -0.605 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C[C@H]1CCNC1=O 1109396375 BSCHZTLNVRRXOF-KBXIAJHMSA-N 319.405 -0.116 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H](NC(=O)CNC(N)=O)C1CC1 1109754376 ZFQGZNZABKDQQZ-LBPRGKRZSA-N 302.338 -0.650 30 20 DBED CC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CS(=O)(=O)N(C)C 1110050121 OSBQYGLDIUTFIG-AGIUHOORSA-N 313.423 -0.377 30 20 DBED N#Cc1cnc(NC2(CNC(=O)[C@H]3CCC(=O)N3)CC2)cn1 1110082239 YXJVKNBAKLRWCP-SNVBAGLBSA-N 300.322 -0.312 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cn1cccn1 1110280239 RZERLHQHBJCDRM-MCIONIFRSA-N 315.377 -0.646 30 20 DBED C[C@H](CC(N)=O)C(=O)N[C@@]1(C)CCN(c2ccc(C#N)nn2)C1 1110802599 REZKUKOARJXZJM-BMIGLBTASA-N 316.365 -0.055 30 20 DBED COc1ccnc(N2CC[C@](O)(CNC(=O)[C@@H](C)C#N)C2)n1 1111041532 IYJLJELEEYMUMA-HZMBPMFUSA-N 305.338 -0.298 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cnn(C)n1 1111141168 KVHQQCKFZYARRA-BZPMIXESSA-N 303.366 -0.200 30 20 DBED N#Cc1nc(=NCCN(CCO)C(=O)[C@H]2CCCCO2)cc[nH]1 1111457286 RCXLAWWPUIQINK-GFCCVEGCSA-N 319.365 -0.428 30 20 DBED CNC(=O)NCC(=O)N(CCO)CCNc1ccc(C#N)cn1 1111578674 NGBJKQJMCXYZGZ-UHFFFAOYSA-N 320.353 -0.885 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)[C@@H]2CC(=O)N(C)C2)CC1 1112908677 CSPRGAXBHZKPNE-CHWSQXEVSA-N 322.409 -0.700 30 20 DBED CCNC(=O)CC(=O)NC[C@@H](C)N(C)c1nccnc1C#N 1113566870 DAZUJHAHLIDYPG-SNVBAGLBSA-N 304.354 -0.185 30 20 DBED C[C@H]1CCN(c2ccnc(C#N)n2)C[C@@H]1NC(=O)CC(N)=O 1114007015 BXYASKKRFFLIJF-UWVGGRQHSA-N 302.338 -0.445 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)CO[C@@H]3CCOC3)[C@H]2C1 1114273056 GQJISULJOMFWBW-FOCJUVANSA-N 323.393 -0.860 30 20 DBED CC[C@H](C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21)N(C)C 1114461004 LGCIIYBINDMIAD-CZXHOFHRSA-N 307.398 -0.987 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)Cn3ccc(C)n3)[C@@H]2C1 1114845700 DDJVEGQSVJIIQE-ZIAGYGMSSA-N 302.378 -0.112 30 20 DBED CNC(=O)NCC(=O)N[C@@H](C)CCCNc1cncc(C#N)n1 1115107895 CZSSRWVBCPPKGX-JTQLQIEISA-N 319.369 -0.026 30 20 DBED COCC#CCN1C[C@@H]2C(NC(=O)CCCN(C)C(C)=O)[C@H]2C1 1115181188 YATKLKZOCCLOSJ-GJZGRUSLSA-N 321.421 -0.059 30 20 DBED C[C@@H](CN(C)C(=O)CN1CCOCC1)Nc1cnc(C#N)cn1 1115677630 BFIZAGGSPFUXCE-LBPRGKRZSA-N 318.381 -0.061 30 20 DBED C=CCNC(=O)CNC(=O)C(=O)Nc1cc(C)n(CCC#N)n1 1116496080 QMFNHLNARMZAEV-UHFFFAOYSA-N 318.337 -0.538 30 20 DBED C[C@]1(CO)CCCN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)C1 1118185342 ZIQUHTIWQGGTAC-GJZGRUSLSA-N 309.366 -0.516 30 20 DBED CCN(CC)C[C@@H](C)NC(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1118210827 NENDPRHXOFBNTM-DOMZBBRYSA-N 310.398 -0.290 30 20 DBED C#CCNC(=O)CN1CCN(C[C@H](O)c2ccccn2)CC1 1118495254 SCUZBCIZSRZRSU-HNNXBMFYSA-N 302.378 -0.518 30 20 DBED Cn1nccc1CC(=O)NC[C@H](CO)Nc1cnc(C#N)cn1 1121411634 FXIAGAQNDPTQKT-LLVKDONJSA-N 315.337 -0.787 30 20 DBED CC(C)C#CC(=O)NC[C@H](CO)Nc1ccc2nnnn2n1 1121520468 NIFSWJRTVGSFMV-SNVBAGLBSA-N 303.326 -0.932 30 20 DBED C[C@]1(C(=O)NC[C@@H](CO)N=c2cc[nH]c(C#N)n2)CCOC1 1121914601 PNJMHCYKHDIDFE-HZMBPMFUSA-N 305.338 -0.914 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H](CO)Nc1cc(OCC)ncn1 1122035201 FZTMCGRLSWOUKT-RYUDHWBXSA-N 322.365 -0.197 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)[C@@]2(F)CCOC2)cn1 1122411106 NYYNEIMZGMEGCA-GXTWGEPZSA-N 308.313 -0.029 30 20 DBED N#Cc1cccnc1N[C@@H](CO)CNC(=O)CCc1cnn[nH]1 1122585163 QHISRUYJLJRKNP-GFCCVEGCSA-N 315.337 -0.407 30 20 DBED CNC(=O)NCC(=O)N1C[C@@H](Nc2cncc(C#N)n2)C[C@H]1C 1123318512 HCEGNSWNQXPBQG-ZJUUUORDSA-N 317.353 -0.321 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)c1cnn(C)c1 1123363205 DDKXJONIXFUPOI-SNVBAGLBSA-N 322.369 -0.860 30 20 DBED CCO[C@H](C)C(=O)N(C)C[C@H](O)CN=c1cc[nH]c(C#N)n1 1124103848 HBFQWWJBEWSNGA-GHMZBOCLSA-N 307.354 -0.574 30 20 DBED Cc1cc(=NC[C@@H](O)CN(C)C(=O)c2cnn[nH]2)c(C#N)c[nH]1 1124897504 SZPXYRDTDVWDDQ-LLVKDONJSA-N 315.337 -0.653 30 20 DBED C[C@H](C#N)C(=O)NCCNCC(=O)NC(=O)NCC(F)(F)F 1124909024 XXIGVMFDAKQKBC-SSDOTTSWSA-N 323.275 -0.760 30 20 DBED C#CCNC(=O)CC(=O)NCCN[C@H](C)C(=O)NCCCC 1125998421 QVHDJQBVVRROJE-GFCCVEGCSA-N 310.398 -0.864 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cc(C)n(C(F)F)n1 1128310536 NDQNSRRLMLNRGI-UHFFFAOYSA-N 313.308 -0.345 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN([C@@H](C)C(N)=O)C[C@@H]1n1ccnn1 1128972009 SHSUWKBPPSTOQC-XQQFMLRXSA-N 318.381 -0.847 30 20 DBED C[C@H]1CC[C@@H](NC(=O)c2ccn(C)n2)CN1CC(=O)NCC#N 1132490235 SASCJYGTINAFTH-NWDGAFQWSA-N 318.381 -0.357 30 20 DBED COCCC(=O)N1CC[C@H](C)[C@@H](CNCC(=O)NCC#N)C1 1132581464 ABVBHWPIPVFRDX-STQMWFEESA-N 310.398 -0.263 30 20 DBED C=CCNC[C@@H]1CN(C(=O)CNS(=O)(=O)NC)CC[C@@H]1C 1133010740 AHOJJXLSZSSORY-NWDGAFQWSA-N 318.443 -0.700 30 20 DBED C=CCNC[C@H]1CN(C(=O)CN2CCNC(=O)C2)CC[C@H]1C 1133030480 CRKRXUMMWHTOQW-KGLIPLIRSA-N 308.426 -0.322 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1noc2c1C[C@@H](C)CC2 1146327982 VNPCPVSQPXKCQY-NSHDSACASA-N 318.377 -0.132 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)c1cnsn1)C2 1147056694 LGSJPAQTVIVLAS-UHFFFAOYSA-N 319.390 -0.565 30 20 DBED COCc1ccsc1C(=O)NCCNCC(=O)NCC#N 1147743625 LQBYULSXNVRAGN-UHFFFAOYSA-N 310.379 -0.146 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)C[C@@H](C)COC)C2 1148531427 YXKCDIJLAYGCPQ-CQSZACIVSA-N 321.421 -0.057 30 20 DBED COCC#CCN1CCCO[C@H](CNC(=O)c2cn(C)nn2)C1 1149661005 WQJIODRRZMAQRK-CYBMUJFWSA-N 321.381 -0.714 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H](NC(C)=O)[C@@H](C)CC 1151889041 AZJYBHWARRBYCI-SCRDCRAPSA-N 324.425 -0.619 30 20 DBED CN(C)c1noc(CNCCCNC(=O)CSCC#N)n1 1154803198 VDMVVTVQQVMLLO-UHFFFAOYSA-N 312.399 -0.012 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)c1cn(C)c(O)n1 1155046256 SMELWODTWIIIER-SNVBAGLBSA-N 322.369 -0.794 30 20 DBED CO[C@H](C)C(=O)N1CCCC[C@@H]1CN(C)CC(=O)NCC#N 1157614625 PPKKCFUXZBWKDN-CHWSQXEVSA-N 310.398 -0.026 30 20 DBED C=CCN1CC=C(CCNC(=O)CN2C(=O)CNC2=O)CC1 1161839378 PCNFSYVQNRHYDD-UHFFFAOYSA-N 306.366 -0.137 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H](C)CCCCNCC(N)=O 1171307400 IOOZPIJYTGOVPO-KBPBESRZSA-N 308.426 -0.166 30 20 DBED C#CCNC(=O)CNCCCNC(=O)Cc1ccc(C)nc1 1176169363 KEFQJHNYIHOQSS-UHFFFAOYSA-N 302.378 -0.222 30 20 DBED C#CCCNCCCC[C@@H](C)NC(=O)c1cn(CC(N)=O)nn1 1176754001 PNUKPAPRQLFEBZ-GFCCVEGCSA-N 320.397 -0.335 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)CCS(C)(=O)=O)C[C@H]21 1177043661 YYXPYZLQMMFBLF-CHWSQXEVSA-N 314.407 -0.644 30 20 DBED CCN(CCC#N)C(=O)CNCCCNC(=O)Cn1ccnc1 1177401580 WCCIBDNDCBJYQU-UHFFFAOYSA-N 320.397 -0.259 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)Cc2ccnn2C)[C@H]1C 1178560042 SXRBYAIPWQCZKW-JSGCOSHPSA-N 319.409 -0.156 30 20 DBED CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)CCN1C 1182693517 VNCYNZRRULSKKR-HZSPNIEDSA-N 321.425 -0.453 30 20 DBED CCS(=O)(=O)NCC(=O)N1CC[C@H](CNCC#N)[C@H](C)C1 1184525910 ZUUYZCRMQQNNQC-VXGBXAGGSA-N 316.427 -0.477 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)c2coc(OC)n2)C1 1184628220 FOXYPIMOTNSTMA-SNVBAGLBSA-N 308.338 -0.211 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)c2cnn(CCOC)c2)C1 1187466764 DAWIOQSMBPYCKU-OAHLLOKOSA-N 320.393 -0.017 30 20 DBED CCc1noc(C)c1C(=O)N1CC[C@@H](NCC(=O)NCC#N)C1 1187756638 VZVOJVMTISQBGX-LLVKDONJSA-N 319.365 -0.011 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CN(CC(=O)NC3CC3)C[C@H]21 1187882172 KDTFAANDOZKWFY-KCQAQPDRSA-N 319.405 -0.164 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)Cn2ccnc2)C1 1188377010 SUKIQFJQMCNIJB-QWHCGFSZSA-N 305.382 -0.236 30 20 DBED C=CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3ccnnc3)[C@@H]2C1 1189217723 GFRFFBQBZMXBKT-UONOGXRCSA-N 315.377 -0.075 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@H](N(C)Cc2cn(C)nn2)C1 1190105795 QEQALRSGTXUNEU-JSGCOSHPSA-N 305.382 -0.114 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)c2ccc(C)n2C)C1 1190999646 LHTOURIVMQQLGV-UKRRQHHQSA-N 305.378 -0.242 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2cc(OC)no2)C[C@H]1O 1192891332 KZAWEHRARNFMIN-CYZMBNFOSA-N 323.349 -0.617 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)C(C)(C)NC(C)=O)C1 1192896719 OYKJJTPWOPOQFW-ZDUSSCGKSA-N 322.409 -0.817 30 20 DBED C=CCCCN1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCN(C)C2=O)C1 1193987793 LRCSBWQAEPLUIQ-MGPQQGTHSA-N 309.410 -0.018 30 20 DBED COC1CC(C(=O)N2CCCN(CC(=O)NCC#N)CC2)C1 1196231921 ORKQUXOKTLZTSO-UHFFFAOYSA-N 308.382 -0.415 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H](C)C2CCCC2)C1 1197650833 SMYKLUAQQBVGCA-BPLDGKMQSA-N 321.421 -0.277 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(Cc2cnnn2C)C[C@H]1O 1199292381 HZOQPQBLPSSJAA-CHWSQXEVSA-N 309.370 -0.931 30 20 DBED COCC#CCNC1CCN(C(=O)c2nnn(C)c2C)CC1 1199936060 MBBAPGHHKPHBJW-UHFFFAOYSA-N 305.382 -0.032 30 20 DBED C#CCNC[C@@H]1CN(C(=O)Cn2ccc(C)cc2=O)CCCO1 1201525930 XNOFVFVHBCKYJZ-OAHLLOKOSA-N 317.389 -0.003 30 20 DBED C#CCNC(=O)[C@H](C)NC1CCN(C(=O)c2csnn2)CC1 1201870238 UJNYUVWOJPTSGR-JTQLQIEISA-N 321.406 -0.130 30 20 DBED C#CCNC(=O)[C@H](C)NC1CCN(C(=O)c2n[nH]cc2F)CC1 1202372583 SXSAWVQJHSNQIS-JTQLQIEISA-N 321.356 -0.119 30 20 DBED N#CCNC(=O)CNCC1CCN(C(=O)Cn2ccnc2)CC1 1206970755 GRZDJDQEGIRGOJ-UHFFFAOYSA-N 318.381 -0.649 30 20 DBED C=C(C)CN(CC)C(=O)CN[C@H]1CCCN(C(=O)CC(N)=O)C1 1207725257 LOCVPYCVRBAOMI-ZDUSSCGKSA-N 324.425 -0.133 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)[C@H]2COCCN2C)C1 1207830163 XKEIHSWBTIJUAE-UONOGXRCSA-N 324.425 -0.800 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)[C@H]2CCN(C)C2=O)[C@H](C)C1 1208368197 JCCPZQVVSDPGSP-JHJVBQTASA-N 322.409 -0.797 30 20 DBED COCC#CCN[C@H]1CCCN(C(=O)[C@@H]2CCC(=O)NC2)C1 1208475355 TUORPPKMWUYGLE-KGLIPLIRSA-N 307.394 -0.257 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)[C@]1(C)CCCOC1 1209784810 XUEOJNCOMKBEJV-XJKCOSOUSA-N 322.409 -0.121 30 20 DBED C=CCn1cc(C(=O)N2CCC[C@H](NC[C@H](O)COC)C2)nn1 1210009113 CUSQHYWHTJJIEC-STQMWFEESA-N 323.397 -0.334 30 20 DBED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)C1CC=CC1 1212058004 RLAWZXRZONSFNF-CHWSQXEVSA-N 306.366 -0.592 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C)C2)C[C@H]1C 1216299360 NFVQEQKLNOXLHQ-RRFJBIMHSA-N 321.421 -0.059 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H]2[C@@H](C1)OCCN2C(=O)COC 1217145266 FQMWMPUGYRZPMH-RWMBFGLXSA-N 311.382 -0.765 30 20 DBED N#CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1ccoc1 1217275184 CKJRYZBFDUDIFC-QWHCGFSZSA-N 318.333 -0.555 30 20 DBED CCN(CC)CC(=O)N1CCO[C@@H]2CN(CC#CCOC)C[C@@H]21 1218814708 VRSGWGHSEZQCII-JKSUJKDBSA-N 323.437 -0.110 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)c2cncs2)C1 1219271489 VQXYJRBBGIVCMV-AXFHLTTASA-N 324.406 -0.391 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2c(C)noc2C)C[C@@H]1O 1219609394 ORVJVJXVNNGWIY-CABCVRRESA-N 321.377 -0.007 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)c2ccns2)C1 1219719050 ZJAWFYMBSDARMC-MXWKQRLJSA-N 324.406 -0.391 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@]2(C)C=CCC2)C1 1220144464 GOKPMAGWXOWBCA-DVOMOZLQSA-N 305.378 -0.747 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCC(C)(C)C2)C1 1220305773 PJFCJWKMTUPUDR-MCIONIFRSA-N 321.421 -0.277 30 20 DBED CC(C)[C@@H](C(=O)N[C@@H]1CN(CC#N)C[C@@H]1O)N1CCCC1=O 1221167284 GUZKPRKXSKTPDZ-DYEKYZERSA-N 308.382 -0.682 30 20 DBED C#CCCCC(=O)N1C[C@H]2CCN(CC(=O)NC(N)=O)C[C@H]21 1221514174 LTKZFMIMFZTOTM-VXGBXAGGSA-N 306.366 -0.483 30 20 DBED COCC#CCN[C@@H]1CCCN(C(=O)C[C@@H]2CC(=O)NC2=O)C1 1222156233 CKMFRVNWLJEIBN-QWHCGFSZSA-N 321.377 -0.730 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)c2cocn2)CC1 1222612572 GJMOXCSNCYUSEZ-UHFFFAOYSA-N 304.350 -0.134 30 20 DBED C=CCOCC(=O)NCC1CCN(Cc2nnn(C)n2)CC1 1222637027 WQIXTXRHIIONFV-UHFFFAOYSA-N 308.386 -0.259 30 20 DBED C=CCN1CCS(=O)(=O)[C@H](CCNC(=O)COCC)C1 1230413419 NAEWJGUEGMSELO-GFCCVEGCSA-N 304.412 -0.186 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)c1cn(C)nc1C 1231255631 ORAZRGQQHNNOMH-ZDUSSCGKSA-N 317.393 -0.376 30 20 DBED CN(CCCNC(=O)CSCC#N)CCS(C)(=O)=O 1234155349 YJOIYQFILGPBKO-UHFFFAOYSA-N 307.441 -0.274 30 20 DBED C=C[C@H](CO)NC(=O)c1cnn2c1C[C@@H](CNC(C)=O)CC2 1261756965 YNINJKQDFSCIBK-NWDGAFQWSA-N 306.366 -0.142 30 20 DBED C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CC[C@](O)(CC#N)C1 1326107758 NFFOSYBMNNRJJF-CZUORRHYSA-N 322.409 -0.146 30 20 DBED C#CC1CCN(C(=O)C(=O)NC[C@H]2CN(C)CCN2C)CC1 1326409714 DUCDHLYXPZEGLG-AWEZNQCLSA-N 306.410 -0.780 30 20 DBED CNC(=O)[C@@]1(C)CCN(C(=O)C(=O)Nc2ccc(C#N)cn2)C1 1327835285 UVVNWMVUKAYUHL-HNNXBMFYSA-N 315.333 -0.124 30 20 DBED C#CC1CCN(C(=O)C(=O)N2CCN3CCOC[C@@H]3C2)CC1 1328427997 XHGVEDYOQUOEKZ-AWEZNQCLSA-N 305.378 -0.599 30 20 DBED C=CC[C@@H](NC(=O)N1CCS(=O)(=O)CC1)C(=O)OCC 1339459309 SHSADZODWUZDOP-SNVBAGLBSA-N 304.368 -0.066 30 20 DBED N#Cc1cn(CC(=O)N2CCCC[C@H]2CCO)c(=O)nc1O 1361908210 RNPBZRIXONUXSS-NSHDSACASA-N 306.322 -0.416 30 20 DBED N#Cc1cn(CC(=O)N[C@@H](CO)CC2CCCC2)c(=O)nc1O 1362417069 HMMXQZWSGLIUOI-GFCCVEGCSA-N 320.349 -0.122 30 20 DBED CC1(C)CNC(=O)[C@H]1NC(=O)CNC(=O)c1ccc(C#N)cc1 1362691728 WQHMHINNEUUMEW-CYBMUJFWSA-N 314.345 -0.071 30 20 DBED COC[C@H](NC(=O)Cn1cc(C#N)c(O)nc1=O)[C@@H]1CCCO1 1363093967 WCBQHYKNWWGLAV-QWRGUYRKSA-N 322.321 -0.869 30 20 DBED CS(=O)(=O)C1CN(S(=O)(=O)c2cncc(C#N)c2)C1 1365418760 OHGMKPQDURFPMO-UHFFFAOYSA-N 301.349 -0.629 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](C)NC(=O)C(C)(C)S(C)(=O)=O 1373073979 OWJSJVGZPQSEGI-DTWKUNHWSA-N 303.384 -0.410 30 20 DBED CNC(=O)NCC(=O)N(C)[C@H](C)CNC(=O)c1cc(C#N)c[nH]1 1380678516 INWGSOQXTCYMQO-SECBINFHSA-N 320.353 -0.608 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H](CNC(=O)Cn2ncnn2)C1 1386034871 CBRIJMKBOBXHAO-QWRGUYRKSA-N 305.342 -0.812 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H](O)CNCC2CCOCC2)c1 1392364897 MBMALHQDDUKOPD-CYBMUJFWSA-N 306.366 -0.007 30 20 DBED C[C@H](C#N)C(=O)NC1CCN(C(=O)c2cn(C)c(=O)n2C)CC1 1396827322 LTFVQBMZXLCJMO-SNVBAGLBSA-N 319.365 -0.396 30 20 DBED C[C@@H](CNC(=O)c1nc2ncccn2n1)N(C)C(=O)[C@H](C)C#N 1404475253 ZZGBWVQQWDMQGN-ZJUUUORDSA-N 315.337 -0.139 30 20 DBED N#Cc1cc(CNC(=O)c2ccnc(S(N)(=O)=O)c2)ccn1 1412913933 DMVQXYKQWUTLCU-UHFFFAOYSA-N 317.330 -0.074 30 20 DBED CC(C)(C#N)CS(=O)(=O)NCCS(=O)(=O)NC1CC1 1413280435 ZDINKFBUHHOMMC-UHFFFAOYSA-N 309.413 -0.463 30 20 DBED CN1CCC[C@@H](CN(C)C(=O)Cn2cc(C#N)c(O)nc2=O)C1 1417647644 SAFILOPYBDSUTB-LLVKDONJSA-N 319.365 -0.379 30 20 DBED CCOCC1(C(=O)N(C)C[C@H](O)CNC(=O)[C@H](C)C#N)CC1 1428227285 REQHXNRKXAQHIR-VXGBXAGGSA-N 311.382 -0.102 30 20 DBED CCS(=O)(=O)N[C@@H](C)C(=O)N(C)CCNC(=O)[C@H](C)C#N 1431476728 AETGSKUGSQGTOO-ZJUUUORDSA-N 318.399 -0.952 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)N[C@@H](CO)[C@H]2CCOC2)cc1 1433869473 SBIGLEXCLCNHMJ-KBPBESRZSA-N 317.345 -0.198 30 20 DBED C=C(Cl)CNC[C@@H](NC(=O)[C@@H]1CC(=O)NC(=O)N1)C1CC1 1439484401 QIQFBWNOJSQVJU-VHSXEESVSA-N 314.773 -0.179 30 20 DBED C[C@H](C#N)C(=O)N1CCN(CCNC(=O)c2ccon2)CC1 1446900502 CQGDMGCLPJRGBW-LLVKDONJSA-N 305.338 -0.292 30 20 DBED C[C@H]1COC(C)(C)CN1C(=O)Cn1cc(C#N)c(O)nc1=O 1449010843 KLOMKJNEVSBJMC-VIFPVBQESA-N 306.322 -0.154 30 20 DBED Cc1nn(C)cc1CCC(=O)NC[C@@H](O)CNC(=O)[C@@H](C)C#N 1452411977 QUEURYFEZHRAIQ-GXFFZTMASA-N 321.381 -0.586 30 20 DBED CCc1cc(C(=O)NCCn2cc(C#N)c(O)nc2=O)n(C)n1 1453841593 NEGLLRYULCPNBP-UHFFFAOYSA-N 316.321 -0.454 30 20 DBED N#Cc1cc(C(=O)N2CC(CNC(=O)Cc3nc[nH]n3)C2)c[nH]1 1498708547 KZVXIJHOWDKHJO-UHFFFAOYSA-N 313.321 -0.565 30 20 DBED CCc1cc(C(=O)NC[C@@H](O)CNC(=O)[C@H](C)C#N)n(C)n1 1501605892 VBGFEAVTELJSPK-KOLCDFICSA-N 307.354 -0.651 30 20 DBED N#CCNC(=O)CN1CC[C@@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 1567896969 YLCOTHCDHQGTEK-LPWJVIDDSA-N 306.366 -0.616 30 20 DBED CN(CCN1CCCC1=O)c1cnc(-c2nn[nH]n2)c(C#N)n1 1579163368 JWKMTYURXHAMST-UHFFFAOYSA-N 313.325 -0.413 30 20 DBED N#C[C@@]12CN(C(=O)[C@H]3CCCC[C@H]3N)C[C@H]1CS(=O)(=O)C2 1580056190 NKBIMASZLYBREH-FMSGJZPZSA-N 311.407 -0.099 30 20 DBED N#C[C@]12CN(C(=O)[C@@H]3CCCCCN3)C[C@H]1CS(=O)(=O)C2 1580057551 ZLSVANRVLIGZLC-SGMGOOAPSA-N 311.407 -0.085 30 20 DBED N#Cc1ccc(N2CC[C@H](N3C(=O)O[C@H]4CNC[C@H]43)C2)nn1 1580066957 AVVVPGUROGJFTH-TUAOUCFPSA-N 300.322 -0.280 30 20 DBED O=C1C=CC=N/C1=C(/O)NCCNC(=O)C12CCC(CC1)N2 1580839571 UBIFFZRUDXOHPS-OUKQBFOZSA-N 304.350 -0.086 30 20 DBED C=C[C@H](NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)C(=O)O 1588700457 IEOUKTYDAGOXFW-ZDUSSCGKSA-N 317.345 -0.013 30 20 DBED CCCCS(=O)(=O)NCC(=O)N(CC#N)CCC(=O)O 1595787986 WDSIHGUVVVWZIV-UHFFFAOYSA-N 305.356 -0.467 30 20 DBED N#Cc1ccc(CNC(=O)COC(=O)COCC(=O)O)cc1 1601099630 DEBBKIPXBFECGE-UHFFFAOYSA-N 306.274 -0.181 30 20 DBED C#CC[C@H](COC)NC(=O)C(=O)N[C@@H]1CC[C@H](CC(=O)O)C1 1602683702 TWNBYBRQNWWFJK-QJPTWQEYSA-N 310.350 -0.100 30 20 DBED C=CCOC[C@H](NC(=O)CCC(=O)N1CCOCC1)C(=O)O 1602910316 UVNZJENORLYKTC-NSHDSACASA-N 314.338 -0.603 30 20 DBED COCCn1nnc2c1CCN(C(=O)[C@](C)(C#N)CC(=O)O)C2 1604638918 GRCPXJGBNFDMHZ-AWEZNQCLSA-N 321.337 -0.186 30 20 DBED Cc1nc2c(-c3nn[nH]n3)cnn2c(C)c1CCC(=O)NO 1606081552 KNYFKJVFOVZURX-UHFFFAOYSA-N 302.298 -0.036 30 20 DBED CN1CC[C@H](CC(=O)N[C@@H]2CCCN(CC(=O)NCC#N)C2)C1 1665023296 ZFSYYCWAWWYIHS-ZIAGYGMSSA-N 321.425 -0.451 30 20 DBED C#CCNC(=O)CN1CCC[C@@H](NC(=O)C2=COCCO2)C1 1713786436 VPBKCKYGCLZBOP-GFCCVEGCSA-N 307.350 -0.795 30 20 DBED COCCn1nc(C(=O)NCC[C@@H](C)NCC#N)ccc1=O 1753010513 CVDFFLLBKQUUCG-LLVKDONJSA-N 307.354 -0.489 30 20 DBED C#CCNC(=O)[C@H](C)NCCN(C)C(=O)c1ccnn1CC 1753183649 UAHACVPNNIYRAJ-LBPRGKRZSA-N 305.382 -0.298 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@@H](CCNC(=O)c2cn[nH]c2)C1 1753323410 VXFQHIASYACHOL-CHWSQXEVSA-N 317.393 -0.011 30 20 DBED C=CCNC(=O)CN(C)C[C@H](C)NC(=O)C1(C(=O)NC)CCC1 1754330647 KBRCAFTVKHDJQS-LBPRGKRZSA-N 324.425 -0.359 30 20 DBED CC#CCN[C@H]1CCN(C(=O)CCS(=O)(=O)NC)[C@H](C)C1 1754594798 HAANNPHJKQFRQO-OLZOCXBDSA-N 315.439 -0.082 30 20 DBED C#CCOCCC(=O)N1CC[C@@](C)(CN[C@@H](C)C(=O)NC)C1 1754694579 GQCZQXIHSVPSTC-BBRMVZONSA-N 309.410 -0.011 30 20 DBED C#CCNC(=O)CNCCN(CCO)C(=O)c1ccccc1F 1754876181 WPUVWLWYSWTBJV-UHFFFAOYSA-N 321.352 -0.401 30 20 DBED N#CCNC(=O)CNC[C@H]1CN(C(=O)CC2CCC2)CCO1 1754998131 IRORUYHONSMUIA-ZDUSSCGKSA-N 308.382 -0.367 30 20 DBED C=CCNC(=O)CN(C)CCCN(C)C(=O)[C@H]1CCC(=O)N1C 1755042682 SVTSEBZXWHBUOW-CYBMUJFWSA-N 324.425 -0.310 30 20 DBED CC#CCN(C)[C@H](C)CNC(=O)CCCN1C(=O)CNC1=O 1755325935 FVPLVSOXSRIUNJ-GFCCVEGCSA-N 308.382 -0.222 30 20 DBED Cc1cccn2cc(CC(=O)NC[C@H](CO)NCC#N)nc12 1755642045 OALMYCZWTBJZPP-CYBMUJFWSA-N 301.350 -0.225 30 20 DBED C=C[C@](C)(O)CC(=O)N(C)C[C@H](O)CNCc1nncs1 1755778421 VVSYDEUSTCDPTG-MFKMUULPSA-N 314.411 -0.226 30 20 DBED CN(C[C@H](O)CNCc1nnn(C)n1)C(=O)C#CC(C)(C)C 1755779797 QWOGXFRVRVSDGC-LLVKDONJSA-N 308.386 -0.832 30 20 DBED C[C@@H](NC(=O)C#CC1CC1)C1CN(C(=O)[C@@H]2CNC(=O)N2)C1 1756149546 FCAIPIGSKMMQIF-SKDRFNHKSA-N 304.350 -0.956 30 20 DBED C[C@H]1C[C@H](NC(=O)C2(C(N)=O)CC2)CN1C(=O)C#CC1CC1 1756588910 XNYBQCKLSLQCAE-JQWIXIFHSA-N 303.362 -0.229 30 20 DBED C=CCCOCC(=O)N[C@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)[C@@H]1C 1757521340 AGKYUWPQHUEBFK-NDBYEHHHSA-N 323.393 -0.194 30 20 DBED C=CCOCC(=O)N1CC[C@H](NC(=O)c2cc[nH]n2)[C@H](O)C1 1757561370 HMCZBDXKOVBWRK-CMPLNLGQSA-N 308.338 -0.696 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](O)[C@H](C)CC)CCO2 1783046162 CIFQECBHTYSFDF-XPKDYRNWSA-N 308.378 -0.144 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccnn1C)CCO2 1783048361 ZGEFHAWCXPFJQR-OAHLLOKOSA-N 302.334 -0.503 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1csc(N)n1 1795664888 PABHOSDXBUATDS-BZBKMWRSSA-N 320.374 -0.438 30 20 DBED C#CCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)O)C2 1800995492 KIZMIUNDAOATHK-XPCVCDNBSA-N 308.378 -0.240 30 20 DBED CC1(C(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)COC1 1846194549 PZUCLCYLZHRKGX-UHFFFAOYSA-N 306.318 -0.686 30 20 DBED C[C@@H]1C(=O)N(C)CCN1C(=O)CNC(=O)c1ccc(C#N)cc1 186828434 WHGRHIROBNOCTK-LLVKDONJSA-N 314.345 -0.023 30 20 DBED COC(=O)C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)O 216273498 OJCXTKXPJUIJTK-SNVBAGLBSA-N 312.303 -0.147 30 20 DBED C[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1cccnc1C#N 235587502 NWMVVUVRAHIEJM-VIFPVBQESA-N 315.376 -0.239 30 20 DBED C#CCOc1cccc(NC(=O)C(=O)N(C)C[C@H](O)CO)c1 275878501 KOWISCHDTSKDCQ-LBPRGKRZSA-N 306.318 -0.551 30 20 DBED COC(=O)[C@H]1C[C@H](O)CN1CC(=O)NCc1ccc(C#N)cc1 276672218 VARGOHQTNYDEDO-UONOGXRCSA-N 317.345 -0.217 30 20 DBED COCCN1CN(S(=O)(=O)c2ccccc2C#N)CC1=O 282507303 SLUIEQOAARLCFB-UHFFFAOYSA-N 309.347 -0.005 30 20 DBED N#Cc1ccc(O[C@H]2CCN(CC(=O)N3CCNC3=O)C2)nc1 292360366 XZWPBQLGPKZMKN-LBPRGKRZSA-N 315.333 -0.042 30 20 DBED CN1C[C@H](/N=C(/O)N2CCC[C@@H]2[C@@H]2COCC[C@@H]2O)CC1=O 329674137 VGVJALCDNYQUOO-XQHKEYJVSA-N 311.382 -0.007 30 20 DBED Cn1cc(N2CCN(/C(O)=N/[C@@H]3CC[S@](=O)C3)CC2)cn1 330028359 OJANTQARRLKFIE-FIKIJFGZSA-N 311.411 -0.023 30 20 DBED Cn1nccc1N1CCC[C@@H](/N=C(/O)Cn2cnnc2O)C1=O 330148435 MFERNEIPXTZYDH-SECBINFHSA-N 319.325 -0.131 30 20 DBED C/N=C(/O)NC(=O)CN1CCC(n2cc(C(=O)OC)nn2)CC1 330800428 COQBOKWWSQYKST-UHFFFAOYSA-N 324.341 -0.638 30 20 DBED C=C[C@@H]1OCC[C@H]1NC(=O)N1CCC[C@@H](N2CCNCC2=O)C1 333809776 PJVWLQPOXPROQD-MCIONIFRSA-N 322.409 -0.064 30 20 DBED Cc1nc2cc(O)nn2c(C)c1CC(=O)NCC(=O)NCC#N 343523006 KYFVTKRJUAYQJM-UHFFFAOYSA-N 316.321 -0.650 30 20 DBED COCCOCCOCCCNC(=O)N1CCO[C@H](C#N)C1 347378023 MVJOBMSGMWLRHW-CYBMUJFWSA-N 315.370 -0.010 30 20 DBED C=C(C)COCCN1C(=O)[C@H]2CS(=O)(=O)CCN2C1=O 349106071 FWFUMQVCRWFIIK-SNVBAGLBSA-N 302.352 -0.360 30 20 DBED N#Cc1ccccc1OCC(=O)N1CC[C@H](S(N)(=O)=O)C1 351836546 XVTHOLGTEIWREL-NSHDSACASA-N 309.347 -0.174 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccncc2)C1=O 354224784 ZLNFMLPKXYHJJT-UHFFFAOYSA-N 302.290 -0.325 30 20 DBED CN1CC[C@@](O)(CNC(=O)C(=O)Nc2ccc(C#N)cc2F)C1 358391970 JMSQOVFNYCRZJM-OAHLLOKOSA-N 320.324 -0.181 30 20 DBED CN(C)c1noc(CNC(=O)Nc2ccn(CCC#N)n2)n1 361819541 OYFBVNWAXDTXOM-UHFFFAOYSA-N 304.314 0.567 30 20 DBED Cn1c(N[C@@H]2CC(=O)N3CCCC[C@H]23)c(C#N)c(=O)n(C)c1=O 374586532 SEPLOMOICCIRPK-GHMZBOCLSA-N 317.349 -0.479 30 20 DBED C=C(C)CN(C)C(=O)C(=O)N1CCCN(CCOC)C(=O)C1 410937170 JTEVBQRPRIBQFL-UHFFFAOYSA-N 311.382 -0.272 30 20 DBED C#CCN1CCN(C(=O)CN[C@H]2CCCC[C@@H]2C(N)=O)CC1 490715229 VKGTWDOHNDQXAB-KBPBESRZSA-N 306.410 -0.603 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)CC[C@@H]2CCCO2)CC1 491210560 WCTKQKISCHGXGT-AWEZNQCLSA-N 307.394 -0.161 30 20 DBED C#CCN1CCN(C(=O)CN(CCCCC)CC(N)=O)CC1 491537834 UCTZJGGZEJPYNE-UHFFFAOYSA-N 308.426 -0.259 30 20 DBED CC(C)c1ncc(S(=O)(=O)NCCn2cnc(C#N)n2)[nH]1 586774231 PZCRIMCQRPGOKJ-UHFFFAOYSA-N 309.355 -0.025 30 20 DBED N#Cc1ccc(CNC(=O)NCC(=O)N2CCNCC2)c(F)c1 591350925 OAUQVARMLRNHRA-UHFFFAOYSA-N 319.340 -0.072 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)Cn2cc(C(=O)OC)cn2)C1=O 599891112 LVWUEIOIYHLOKU-LBPRGKRZSA-N 320.349 -0.085 30 20 DBED COc1cc(C#N)ccc1OCCCC(=O)NC[C@@H](O)C(N)=O 618923384 IAMKNPWPXLAENQ-LLVKDONJSA-N 321.333 -0.312 30 20 DBED C=CCN1CC[C@H](N(C)S(=O)(=O)CCCN(C)C)C1=O 632301828 ODBXTORZCRXFGT-LBPRGKRZSA-N 303.428 -0.013 30 20 DBED C=CCCOCCNC(=O)C(=O)N1CCC(CO)(OC)CC1 673595064 KAGSLJDOLYUPNQ-UHFFFAOYSA-N 314.382 -0.305 30 20 DBED C#CC[C@H](COC)NS(=O)(=O)N1CCC(C(=O)O)CC1 716822483 UBCDCZIOLDKYFX-LLVKDONJSA-N 304.368 -0.344 30 20 DBED N#CCOc1ccc(CC(=O)OCC(=O)NCC(=O)O)cc1 739089038 XWFGYJYWFPMIKX-UHFFFAOYSA-N 306.274 -0.125 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)C[C@@H]2CCOC2)CC1 739720091 HMZCHZNWOMHGEB-AWEZNQCLSA-N 307.394 -0.303 30 20 DBED C#CCNC(=O)COC(=O)c1cc(N)cc(S(C)(=O)=O)c1 747723198 OCQNURGQDHMJDU-UHFFFAOYSA-N 310.331 -0.422 30 20 DBED CCN1CCO[C@H](C(=O)OCC(=O)N(CCC#N)CCC#N)C1 748461516 VNTFPRRHWWBCHH-ZDUSSCGKSA-N 322.365 -0.094 30 20 DBED COc1cc(C=NN[C@@H](C)CO)cc(OC)c1OCC(N)=O 749814887 DGXTXJSNXSIKQP-VIFPVBQESA-N 311.338 -0.128 30 20 DBED C#C[C@H](NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)[C@H]1CCCO1 775339037 FHXXIQYMJZWENG-HZSPNIEDSA-N 307.394 -0.307 30 20 DBED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1ccc(C(N)=O)cc1F 799287328 OURJDLMXXMVILZ-SNVBAGLBSA-N 321.308 -0.246 30 20 DBED C[C@H](NC(=O)COC(=O)c1cccc(C#N)n1)C(=O)N(C)C 811253839 PZCDUCBGGARVID-VIFPVBQESA-N 304.306 -0.297 30 20 DBED CC(=NN[C@@H](C)CO)c1ccc(S(=O)(=O)CC(N)=O)cc1 814865516 XJDYPUBMMCQDQV-VIFPVBQESA-N 313.379 -0.360 30 20 DBED C#CCN1CCN(C(=O)Cn2cc(C)c(-c3nn[nH]n3)c2)CC1 819702311 YFCPEJYJHIJHJL-UHFFFAOYSA-N 313.365 -0.246 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CCCCO2)CC1 831565315 QHZJGSYBKOUQNB-GFCCVEGCSA-N 315.395 -0.833 30 20 DBED N#C[C@@H]1CNC[C@@H]1NC(=O)CCn1nnc2ccccc2c1=O 834510291 AACOHDLROSBRTE-MFKMUULPSA-N 312.333 -0.591 30 20 DBED CC(C)(O)[C@@H]1CCCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)C1 872539850 WQCPVNOSSHMKCN-NEPJUHHUSA-N 317.411 -0.062 30 20 DBED COc1cc(C#N)ccc1C(=O)N1CCN(CC(N)=O)CC1 930818340 VQZSQCKPSBUXKU-UHFFFAOYSA-N 302.334 -0.190 30 20 DBED C#CCCN1CC[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)[C@H](C)C1 944531898 KKTWMAXTALYVGI-TZMCWYRMSA-N 319.409 -0.260 30 20 DBED C#CCCN1C[C@H]2CCN(C(=O)Cn3cnnn3)CC[C@H]2C1 946471377 JNGCCJDDTRDEKG-OKILXGFUSA-N 302.382 -0.133 30 20 DBED CC#CCN1C[C@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)CC[C@H]2C1 946743208 PDPHANIJQOJCSS-MJBXVCDLSA-N 304.394 -0.139 30 20 DBED C=CCCN1CCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)CC1 951166132 LEOVJZDYQAAVTR-UHFFFAOYSA-N 308.338 -0.873 30 20 DBED Cn1nnc(C(=O)NC[C@@H]2CCN2C(=O)c2c[nH]c(C#N)c2)n1 951620537 KSBPHUXKFVRGPG-JTQLQIEISA-N 314.309 -0.946 30 20 DBED COc1cc(OC)nc(C(=O)NC[C@@H]2CN(CC#N)C[C@@H]2O)n1 958183337 MTLZLJKSRODBDE-ZJUUUORDSA-N 321.337 -0.960 30 20 DBED N#CCN1C[C@H](CNC(=O)c2n[nH]c3c2CCCC3)[C@@H](O)C1 958205572 AVTFIEYTEOFOCL-GWCFXTLKSA-N 303.366 -0.165 30 20 DBED Cc1cc(C)c(C(=O)NC[C@@H]2CN(CC#N)C[C@@H]2O)c(O)n1 958300165 MAINGKVNIYNHBU-NEPJUHHUSA-N 304.350 -0.050 30 20 DBED N#CCN1C[C@@H](O)[C@@H](CNC(=O)c2ccc3nonc3c2)C1 958361240 TUHOREDYISHHEH-GXFFZTMASA-N 301.306 -0.231 30 20 DBED CC#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cn(C(C)C)nn2)C1 958547228 GRDIMBCZZGITKA-GXTWGEPZSA-N 305.382 -0.095 30 20 DBED CN(C(=O)c1cnns1)[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 958662969 HAESKXLXJBJUIH-QWRGUYRKSA-N 320.374 -0.405 30 20 DBED Cc1ncc(C(=O)N(C)[C@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)[nH]1 958745765 JPZCMTFBCUNRDJ-ZHAHWJHGSA-N 305.338 -0.479 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CN(C(=O)c3cnn(C)c3N)C[C@H]2C1 961425417 YPVCLSZAJKBHIM-GARJFASQSA-N 316.365 -0.308 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)c1csc(O)n1 964303049 FEBOLYBCWYDKND-RKDXNWHRSA-N 324.362 -0.034 30 20 DBED CO[C@H](C)C(=O)N1CCOC2(CN(C(=O)C#CC3CC3)C2)C1 965319696 KRQGTVULMOLILJ-GFCCVEGCSA-N 306.362 -0.126 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CN(C(=O)[C@@H]3CCCN3C)CCO2)C1 965329708 BWJJVADQMLXSGM-OLZOCXBDSA-N 320.393 -0.320 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CN(C(=O)c3ncccn3)CCO2)C1 965461378 XTEYXRSHPNABBW-NSHDSACASA-N 315.333 -0.310 30 20 DBED CO[C@H](C)C(=O)N1CC(N2CCN(C(=O)[C@H](C)C#N)CC2)C1 967244683 OGPPWHHAWJNHGZ-VXGBXAGGSA-N 308.382 -0.464 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CCCNC1=O 969214079 GEICPOYUVQBNCE-RVMXOQNASA-N 318.377 -0.126 30 20 DBED C[C@H]1[C@H](NCC(=O)N2CCOCC2)CCN1C(=O)C#CC1CC1 986278085 KIEIOPZTFCXSHF-DZGCQCFKSA-N 319.405 -0.162 30 20 DBED Cc1cc(C)n(CC(=O)N2CC[C@H](NCC#N)[C@H]2C)c(=O)n1 987270188 VBSJWOQKKADOFT-OLZOCXBDSA-N 303.366 -0.037 30 20 DBED COC(=O)[C@@H]1C[C@@H]1C(=O)NC1CN(C(=O)c2c[nH]c(C#N)c2)C1 990466869 FSTKKPHNRQOMJM-NWDGAFQWSA-N 316.317 -0.364 30 20 DBED N#Cc1ccc(C(=O)NC2CN(C(=O)C[C@H]3COC(=O)C3)C2)[nH]1 990887759 GJRHUMVPHFNVKW-SECBINFHSA-N 316.317 -0.220 30 20 DBED Cc1ncc(C(=O)N[C@H]2CCN(C(=O)C#CC3CC3)C[C@@H]2O)[nH]1 991340316 HHCJAPGWDPJYSL-JSGCOSHPSA-N 316.361 -0.177 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)[C@H]3CCC(=O)N3)C2)cc1 997329920 XRUJPPCQRLBNAM-CQSZACIVSA-N 311.341 -0.113 30 20 DBED C=CCNC1CC(N(C)C(=O)CN2C(=O)C(=O)N(C)C2=O)C1 999503420 SGMMUHAENFGECS-UHFFFAOYSA-N 308.338 -0.828 30 20 DBED O=C(C#CC1CC1)N1C[C@H]2CC[C@H]1CN2C(=O)Cn1cncn1 1007314168 MZQTVWLVNCXGBY-UONOGXRCSA-N 313.361 -0.107 30 20 DBED C#CCCN1CCC[C@@H](NC(=O)CN2CCCS2(=O)=O)C1 1007466163 WPNHRGUIYXCEOT-CYBMUJFWSA-N 313.423 -0.374 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@H](CNC(=O)c3cnnc(O)c3)[C@H]2C1 1009167433 FPJLXRSYBSYZEF-HKWIRBFKSA-N 315.333 -0.224 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCN(CC(=O)N(C)C)C1 1014768336 BZVAQFBPAILAHL-KGLIPLIRSA-N 306.410 -0.637 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCN(C(=O)c3nccnc3N)C2)C1 1019361391 FRCHFMBHFYDZIK-SNVBAGLBSA-N 314.349 -0.107 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)C(C)(C)N2CCCC2)C1 1024998670 AVSGWBHRDYLTEJ-YNEHKIRRSA-N 322.409 -0.292 30 20 DBED C=C(C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnon2)C1 1025242608 LPIXTNDOMZYEGE-GHMZBOCLSA-N 308.338 -0.027 30 20 DBED N#CCN1CCC[C@@H]1CNC(=O)[C@@H]1CCc2nnc(O)n2C1 1027978539 OGUWENPXVGPWRC-GHMZBOCLSA-N 304.354 -0.350 30 20 DBED C=C(C)CCN1CCC[C@@H]1CNC(=O)c1cn(CC(N)=O)nn1 1028335197 PMSACFVJRDADML-GFCCVEGCSA-N 320.397 -0.076 30 20 DBED C#Cc1cncc(C(=O)NC[C@H]2CCN([C@H](C)C(N)=O)C2)c1 1028792623 KNXJLMIMKNXEHR-DGCLKSJQSA-N 300.362 -0.012 30 20 DBED C#Cc1cncc(C(=O)NC2CN(CCN3CCNC3=O)C2)c1 1030928346 ONJWVMCOZRWPTJ-UHFFFAOYSA-N 313.361 -0.498 30 20 DBED C#CCN1CCC(C(=O)N[C@@H]2CCCCN(CC(N)=O)C2)CC1 1034537835 FJJMZFCOOAZXSF-OAHLLOKOSA-N 320.437 -0.212 30 20 DBED C#CCCN1CCO[C@H](CNC(=O)[C@H]2COCCN2CC)C1 1035423005 KJLDCBAOLOKWSC-HUUCEWRRSA-N 309.410 -0.453 30 20 DBED CC#CCN1CCO[C@@H](CNC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 1035515454 GKVWWPZAJNJLQJ-MELADBBJSA-N 307.394 -0.449 30 20 DBED C=CCN1CCO[C@@H](CNC(=O)c2cn([C@@H]3CCOC3)nn2)C1 1035573873 OJRKNELTUSWWRM-OLZOCXBDSA-N 321.381 -0.144 30 20 DBED C#CCCN1CCO[C@H](CNC(=O)[C@H]2CCN(C(C)=O)C2)C1 1035593187 MQXSEPQWSXWUBZ-LSDHHAIUSA-N 307.394 -0.305 30 20 DBED C#CCCN1CCO[C@@H](CNC(=O)c2nccnc2C(N)=O)C1 1035598060 RSPBYBBBJPPQNA-NSHDSACASA-N 317.349 -0.971 30 20 DBED C=CCCN1CCO[C@@H](CNC(=O)[C@H]2CCS(=O)(=O)N2)C1 1035614237 PBTGRSWUUSIROI-NWDGAFQWSA-N 317.411 -0.929 30 20 DBED C=CCN[C@@H]1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)C[C@H]1C 1036052215 GGLDJAUIBNSOCU-CHWSQXEVSA-N 320.393 -0.440 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2[C@H]3C[C@H]2N(CC(=O)NC2CC2)C3)[nH]1 1037365385 NNZAWUXIWSNMTL-JBCWJZNQSA-N 313.361 -0.033 30 20 DBED COc1ccc(CN2C[C@H]3C[C@H]2[C@@H]3NC(=O)C(N)=O)cc1C#N 1037563475 DZVIAVKDRUANCY-MBNYWOFBSA-N 314.345 -0.259 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@]1(O)CCN(C(=O)c2ncc[nH]2)C1 1039580595 WZHPNIAXZKHYEB-HUUCEWRRSA-N 322.365 -0.570 30 20 DBED O=C(CC1(O)CCC1)NC[C@]1(O)CCN(C(=O)C#CC2CC2)C1 1039668786 BQWYAAPUBPNCOR-QGZVFWFLSA-N 320.389 -0.216 30 20 DBED COCC(=O)N1CC[C@H]2OCCN(c3cncc(C#N)n3)[C@H]2C1 1039990827 YOJGKKIFGXXYCO-QWHCGFSZSA-N 317.349 -0.199 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)CCn2cncn2)C1 1041524814 WCJXFYUCEQOGEP-UHFFFAOYSA-N 321.381 -0.430 30 20 DBED N#CCN1CC[C@]2(CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)C1 1041676113 VATQOJGDNLNCOO-ZOWXZIJZSA-N 306.366 -0.533 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@@H]2C(=O)OC)C1 1041985584 VPNRNAXQMLJYGQ-MNOVXSKESA-N 310.350 -0.549 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)C[C@H]2CCN(C)C2)C1 1042799394 LNQVLKWVKWYYAB-CQSZACIVSA-N 321.421 -0.179 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)CN2CC[C@@H](C)C2)C1 1042801179 FSHXFUBDMDPBEC-CQSZACIVSA-N 321.421 -0.179 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)[C@H]2CC23CC3)C1 1043042393 OOBLSDWXJJCXRL-VXGBXAGGSA-N 306.362 -0.486 30 20 DBED CC[C@@H]1CCO[C@@H]1C(=O)NCC1(O)CN(C(=O)[C@H](C)C#N)C1 1043659587 RECSKHQSGJBHAJ-UTUOFQBUSA-N 309.366 -0.349 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(O)(CNC(=O)c2cnco2)C1 1044119182 VEEISHGQTDFUIG-ZDUSSCGKSA-N 309.322 -0.695 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)c2c[nH]nc2C)C1 1044345865 MRGGOZUPZFWKAP-UHFFFAOYSA-N 308.338 -0.776 30 20 DBED C#CCCCCCC(=O)NCC1(O)CN(C(=O)CC(=O)NC)C1 1044469594 CYDLFXUCOCOFIL-UHFFFAOYSA-N 323.393 -0.604 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)CCc2ccncn2)C1 1045550874 AVEWJYZXGHBFCJ-NSHDSACASA-N 317.349 -0.742 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)[C@H](C)c2cnn(C)c2)C1 1045551661 KOGAZWCNAQYXKA-WDEREUQCSA-N 319.365 -0.627 30 20 DBED CN(C(=O)c1cnn2ncccc12)[C@H]1CN(CC#N)C[C@@H]1O 1047412484 SSKWMOIQGCGHPF-STQMWFEESA-N 300.322 -0.630 30 20 DBED CN(C(=O)C(N)=O)[C@H]1CN(CC#Cc2ccccc2)C[C@@H]1O 1047506650 APBKKDSDIDFYPS-KBPBESRZSA-N 301.346 -0.973 30 20 DBED C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cn(CC(N)=O)nn1 1049919758 PMLCSYTXEGKZMF-QWHCGFSZSA-N 316.365 -0.925 30 20 DBED C=CCCN1CCOC[C@H]1CNC(=O)[C@H]1CCCS1(=O)=O 1051254348 HCHRCBCDJQZKKJ-CHWSQXEVSA-N 316.423 -0.043 30 20 DBED C#CCN1CC2(C1)CN(C(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@@H]31)CCO2 1053347666 OTZWQGGCNBJLIA-SEBNEYGDSA-N 302.374 -0.044 30 20 DBED C=C(C)CN1CC2(C1)CN(C(=O)[C@@H]1CC(=O)NC(=O)N1)CCO2 1053450639 LDLFLUOKFRZDCI-NSHDSACASA-N 322.365 -0.926 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)Cc3n[nH]c(C)n3)CO2)C1 1053797152 VFXSBIRPJCCCJN-GFCCVEGCSA-N 303.366 -0.362 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)Cn3cc(C4CC4)nn3)CO2)C1 1053827118 RXIUESVSTMQKQT-CYBMUJFWSA-N 315.377 -0.252 30 20 DBED C=C(C)CN1CC2(C[C@H](NC(=O)[C@@H]3CN(C)C(=O)N3)CO2)C1 1053890449 AXGUGNIJGLVTRU-RYUDHWBXSA-N 308.382 -0.454 30 20 DBED C=CCN[C@H]1CN(C(=O)CCc2nnc(O)nc2O)C[C@@H]1C 1054847173 CXHAGJZWLSWRFC-ONGXEEELSA-N 307.354 -0.162 30 20 DBED C=CCOCC(=O)N[C@@]1(CO)CCCN(C(=O)c2ncc[nH]2)C1 1055831080 JQMIEUJVUHVJDJ-HNNXBMFYSA-N 322.365 -0.304 30 20 DBED Cn1ccc(C(=O)NC2[C@H]3CN(c4ccc(C#N)nn4)C[C@H]23)n1 1056225081 JFWGNSIHETWPFN-QWRGUYRKSA-N 309.333 -0.054 30 20 DBED Cn1ncc(C(=O)N2CC[C@@H](Nc3cnc(C#N)cn3)C2)c1N 1056610199 MXRHCYQRGWQRKI-SECBINFHSA-N 312.337 -0.009 30 20 DBED N#Cc1cnc(N[C@@H]2CCN(C(=O)[C@@H]3CCNC3=O)C2)cn1 1056745106 PXNWOLSZOYFHJL-MWLCHTKSSA-N 300.322 -0.503 30 20 DBED CN(c1ccc(C#N)nn1)[C@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 1056910288 PQMLQTDGNMMUNC-QWRGUYRKSA-N 316.321 -0.506 30 20 DBED C=CCCOCC(=O)NCCN(CCO)C(=O)[C@@H](C)OC 1057114245 KIGBEKYCQQZLBX-GFCCVEGCSA-N 302.371 -0.449 30 20 DBED N#CCSCC(=O)NCCN(CCO)C(=O)[C@@H]1CCOC1 1057145594 FBZZOFMDNBGLSS-LLVKDONJSA-N 315.395 -0.783 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)CNC(=O)CCC 1057170038 UFWXMZCOPTYNDA-UHFFFAOYSA-N 313.398 -0.194 30 20 DBED CC(C)(C)C#CC(=O)N(CCO)CCNC(=O)C1(C(N)=O)CC1 1057540144 IQXNDHPJZSNATI-UHFFFAOYSA-N 323.393 -0.762 30 20 DBED Cc1cncn1CC(=O)N(CCO)CCNC(=O)[C@@H](C)C#N 1058111470 ZHBOEPSKXXHEMW-NSHDSACASA-N 307.354 -0.712 30 20 DBED N#Cc1cncc(N[C@H]2C[C@@H](NC(=O)[C@@H]3COC(=O)N3)C2)n1 1059626960 RIUJZLJIHAIUDX-XKSSXDPKSA-N 302.294 -0.484 30 20 DBED C=C(C)CCC(=O)N1CCOC[C@@H]1CNC(=O)CNC(C)=O 1061224068 LGVRJMVDEBJTNN-ZDUSSCGKSA-N 311.382 -0.178 30 20 DBED C=CCOCC(=O)NC[C@@H]1COCCN1C(=O)c1ccnn1C 1061420835 DMHXMNYOXCBHSG-GFCCVEGCSA-N 322.365 -0.420 30 20 DBED C#CCOCCC(=O)NC[C@@H]1COCCN1C(=O)c1cocn1 1061581005 JNBYRAHRRZUODF-GFCCVEGCSA-N 321.333 -0.328 30 20 DBED C=CC(C)(C)C(=O)NC[C@H]1COCCN1C(=O)[C@@H]1CNC(=O)N1 1061753574 OMYVPMNCHCOFCO-QWRGUYRKSA-N 324.381 -0.776 30 20 DBED Cc1cnn(CC(=O)N2CCOC[C@H]2CNC(=O)[C@@H](C)C#N)c1 1061847635 UREISZRPFADSPU-QWHCGFSZSA-N 319.365 -0.305 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)c1ccnnc1 1061852835 NHVDFQWXAXOFEL-JQWIXIFHSA-N 303.322 -0.407 30 20 DBED CNC(=O)NCC(=O)NC[C@H]1CCCCN1C(=O)[C@@H](C)C#N 1062333967 IKOBSONHDOIKJN-WDEREUQCSA-N 309.370 -0.428 30 20 DBED C=CCOCC(=O)NC[C@H]1CCCCN1C(=O)Cn1cncn1 1062355626 ANLVEESIXDLUOM-CYBMUJFWSA-N 321.381 -0.022 30 20 DBED CN(C(=O)[C@@H]1CCC(=O)N1)[C@@H]1CCN(c2cnc(C#N)cn2)C1 1062960480 WAFDHLHRPFVSDW-NEPJUHHUSA-N 314.349 -0.336 30 20 DBED N#Cc1cnc(NCC[C@H]2CCCN(C(=O)C(N)=O)C2)cn1 1063291754 ABIVEUCVYCWICD-SNVBAGLBSA-N 302.338 -0.126 30 20 DBED Cc1nc(CC(=O)N[C@H]2[C@H]3C[C@H]2N(c2cnc(C#N)cn2)C3)n[nH]1 1064249270 AUVRYEFCEDAQLV-ISOBSLSZSA-N 324.348 -0.289 30 20 DBED Cc1cc(C#N)nc(N2CC[C@]3(CCN(C(=O)C(N)=O)C3)C2)n1 1064640880 WCKCGNLJHAFHJQ-HNNXBMFYSA-N 314.349 -0.429 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)[C@@H]2COC(=O)N2)CCO1 1065104125 BTQUDHUSLZKNBC-QWRGUYRKSA-N 311.338 -0.595 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(C(=O)Cc2cnc[nH]2)CCO1 1065671404 DLIDWHYYGSVLPN-CQSZACIVSA-N 316.361 -0.291 30 20 DBED Cc1cc(C#N)nc(N2C[C@H]3[C@H](CNC(=O)c4cnn[nH]4)[C@H]3C2)n1 1068210259 ULYGRJIEPSFKBX-CNDDSTCGSA-N 324.348 -0.113 30 20 DBED N#Cc1ccc(N2C[C@@H]3CC[C@H](NC(=O)C(N)=O)C[C@H]3C2)nn1 1068268147 WVDGPZOAMWMCHY-DCAQKATOSA-N 314.349 -0.445 30 20 DBED C=CCOCC(=O)N1CCOC2(C1)CN(C(=O)c1ccon1)C2 1068355568 RLCLJXYLDQBFFR-UHFFFAOYSA-N 321.333 -0.069 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1COC2(C1)CN(C(=O)c1n[nH]cc1F)C2 1069009399 ZDOJBJAJKSWALM-RKDXNWHRSA-N 321.312 -0.192 30 20 DBED N#Cc1nccnc1N1CC[C@]2(NC(=O)C(N)=O)CCC[C@H]12 1069282630 PBYNQFRQNDEHMG-IINYFYTJSA-N 300.322 -0.549 30 20 DBED CC#CCN1C[C@H]2C[C@H]3CN(C(=O)C4(C(N)=O)CC4)C[C@@]3(C1)O2 1070847870 LDUUNEDEHHBLTO-OGHNNQOOSA-N 317.389 -0.423 30 20 DBED C=CCCOCC(=O)N1CCC[C@@H](NC(=O)Cn2nccn2)C1 1070902793 TTXVKQNFRWLPJU-CYBMUJFWSA-N 321.381 -0.022 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CCCN(C(=O)Cc2nc[nH]n2)C1 1071378962 SZMNZZJLQZQRKE-ABAIWWIYSA-N 321.381 -0.219 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(C(=O)CC(=O)NCC)C[C@H]1C 1071943751 RBEGDIHSQFTJEY-CHWSQXEVSA-N 323.393 -0.484 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(C(=O)c2ncc[nH]2)C[C@@H]1C 1072025318 QSTRXSCJZGNOOF-WDEREUQCSA-N 317.349 -0.874 30 20 DBED CNC(=O)NCC(=O)N[C@H]1CN(C(=O)C#CC(C)C)C[C@H]1C 1072053252 VDZKRSKGNDNABI-NEPJUHHUSA-N 308.382 -0.462 30 20 DBED C#CCC1(C(=O)N2C[C@@H](NC(=O)CNC(N)=O)[C@H](C)C2)CCC1 1072236716 GKFITMUBPBGIKP-VXGBXAGGSA-N 320.393 -0.189 30 20 DBED C=CCOCC(=O)NC1(C)CCN(C(=O)C2(C(N)=O)CC2)CC1 1073225378 HAOOBIDNTAJUIM-UHFFFAOYSA-N 323.393 -0.048 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)CCCOC 1075742705 LIPVXVXMWIHASI-LBPRGKRZSA-N 311.382 -0.437 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2cnnn2-c2ccccc2)C1 1077756781 JEKRWJHEFCAOBX-TZMCWYRMSA-N 312.333 -0.434 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)c2ccnc3nc(C)nn23)C1 1077994709 WHYJPGXTKMIJAW-DGCLKSJQSA-N 314.349 -0.769 30 20 DBED C#CCCCC(=O)N1CC(N(CC)C(=O)[C@@H]2COC(=O)N2)C1 1079701741 MKHXMWUMPFLZDL-LBPRGKRZSA-N 307.350 -0.042 30 20 DBED C#CCOCCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2ccon2)C1 1081302073 GKUYPMXUBJTJDQ-YPMHNXCESA-N 321.333 -0.736 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2cc(C)no2)C[C@H]1O 1081343935 JTNAVQCEMNAEHM-VXGBXAGGSA-N 323.349 -0.265 30 20 DBED CNC(=O)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C#CC(C)(C)C)C1 1081472975 BFURIXMIHZTBPQ-NWDGAFQWSA-N 323.393 -0.893 30 20 DBED C=CCC(CC=C)C(=O)NC[C@H]1CN(C(=O)CC(N)=O)C[C@H]1O 1081512496 ZFGHIJRWWDZYSQ-QWHCGFSZSA-N 323.393 -0.434 30 20 DBED C=C(C)CN1C[C@@H](NC(=O)[C@H]2CCS(=O)(=O)C2)[C@H](OC)C1 1081914317 LWRGNZXZHOZPFO-YNEHKIRRSA-N 316.423 -0.187 30 20 DBED C#CCN1C[C@@H](NC(=O)c2ccc(C(=O)NC)nc2)[C@H](OC)C1 1082330984 SOMUMIIVPYILIF-ZIAGYGMSSA-N 316.361 -0.497 30 20 DBED C#CCCN1C[C@@H](NC(=O)[C@H]2CCc3nncn3C2)[C@H](OC)C1 1082382338 ZSHHJEOIYZCDMV-BFHYXJOUSA-N 317.393 -0.321 30 20 DBED C=CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)C[C@H]1CCN(C)C1=O 1083112526 DYAXRNFPYMCWCU-HZSPNIEDSA-N 307.394 -0.048 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H]2CN(CCCO)C[C@@H]21 1083198483 XRHJUDFFVZVDDS-CBBWQLFWSA-N 310.394 -0.129 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(C/C=C\Cl)C[C@@H]1O 1083537515 ZTNFLQBHQASSJJ-BYENDBNQSA-N 311.813 -0.002 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2ccc(-n3cccn3)nc2)C1 1083686453 SHZSHGSYXVBLGV-OLZOCXBDSA-N 312.333 -0.434 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCCN(CC(F)F)C2)C1 1083733828 GGCWNQYTANQAFU-UPJWGTAASA-N 315.364 -0.242 30 20 DBED C=CCCn1cc(C(=O)N[C@@H]2CN(CCCO)C[C@@H]2O)nn1 1083849108 NLAOJPLJDUHLGG-YPMHNXCESA-N 309.370 -0.989 30 20 DBED N#CCN1CC[C@@H]2CN(C(=O)C3CC4(C3)CS(=O)(=O)C4)[C@@H]2C1 1084450674 SUFVCGTZIXIMGU-DGCLKSJQSA-N 323.418 -0.133 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]2CCN(Cc3nnnn3C)[C@H]2C1 1084906418 QLRQVADIIPLZGO-UTUOFQBUSA-N 303.370 -0.207 30 20 DBED C#CCN[C@H]1C[C@H](CNC(=O)c2ccc(-n3cnnn3)cn2)C1 1086438554 VIIBUXPXGHSQBG-HAQNSBGRSA-N 311.349 -0.212 30 20 DBED Cn1cc(C(=O)N[C@H]2CCN(CC#N)C[C@@H]2O)c(C2CC2)n1 1090301189 OTPDBRWLAMYQIZ-STQMWFEESA-N 303.366 -0.014 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2cc(=O)c(OC)c[nH]2)[C@@H](O)C1 1090433621 RLOOZJRVFNPDJZ-FZMZJTMJSA-N 319.361 -0.428 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2CCN(CC(N)=O)C[C@H]2O)cc1 1090484037 VUFVOZPPQXHVHF-UONOGXRCSA-N 301.346 -0.682 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2cnn3cc[nH]c23)[C@@H](O)C1 1090764089 QGSVXLMASOGSMF-STQMWFEESA-N 301.350 -0.149 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(c2cccc(F)n2)C[C@@H]1O 1091153226 WQNCJBDRHDMYIA-UTUOFQBUSA-N 307.325 -0.075 30 20 DBED CN(CCOCCN(C)c1ncc(C#N)cc1F)C(=O)C(N)=O 1091901083 KOQHVHMDCRJUIQ-UHFFFAOYSA-N 323.328 -0.511 30 20 DBED N#Cc1ccc(NC2CC(CNC(=O)Cn3cnnn3)C2)cn1 1092186622 WAIOPELFSAEAJE-UHFFFAOYSA-N 312.337 -0.053 30 20 DBED C[C@@]12CN(CC#N)C[C@@H]1CN(C(=O)C[C@@H]1CC(=O)NC1=O)C2 1092330266 HQGYCZIZWJEKFG-RWSFTLGLSA-N 304.350 -0.657 30 20 DBED CCNC(=O)CC(=O)NC1[C@@H]2CN(c3ccc(C#N)nn3)C[C@@H]12 1093267066 UDSGZYFKWPPUAZ-GHMZBOCLSA-N 314.349 -0.575 30 20 DBED N#Cc1nccnc1NCCNC(=O)Cc1nc2ncccn2n1 1093638676 GAJNGXCJWYZONM-UHFFFAOYSA-N 323.320 -0.443 30 20 DBED CC(=O)N1CCOC[C@H]1C(=O)NCCNc1cncc(C#N)n1 1093653190 JJESIHLISSLGSO-LBPRGKRZSA-N 318.337 -0.876 30 20 DBED CCc1nc(C#N)cc(NCCNC(=O)CC(=O)N(C)C)n1 1094160623 YWRFEPMCAFTOHK-UHFFFAOYSA-N 304.354 -0.083 30 20 DBED C[C@@H]1CCO[C@@H]1C(=O)NCc1cn(C2CN(CC#N)C2)nn1 1094320662 MZKIJMFFLFEQDW-MFKMUULPSA-N 304.354 -0.300 30 20 DBED C=CCN1CCN(C(=O)c2cnco2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094649767 MNFJLQKITXAVGR-WDEREUQCSA-N 311.363 -0.216 30 20 DBED CC(=O)N[C@H](C)C(=O)N1CC[C@H](N(C)c2ccc(C#N)nn2)C1 1095090085 JEWUXCYTDYUQDW-MFKMUULPSA-N 316.365 -0.090 30 20 DBED CNC(=O)NCC(=O)N1CCCN(c2cncc(C#N)n2)CC1 1095208804 TUEKEDNBLPALTA-UHFFFAOYSA-N 317.353 -0.684 30 20 DBED CN(CCCNC(=O)C[C@@H]1CCNC1=O)c1ccc(C#N)nn1 1095654671 BERZFBFSGJIHCD-NSHDSACASA-N 316.365 -0.183 30 20 DBED CC(=O)N[C@H](C)C(=O)N[C@H]1CCCN(c2cncc(C#N)n2)C1 1096134871 OWYKUSLYFYQSIT-PWSUYJOCSA-N 316.365 -0.042 30 20 DBED C[C@H](CC(=O)N[C@H]1CCN(c2nccnc2C#N)C1)NC(N)=O 1096440012 QETFESALNWRZFN-ZJUUUORDSA-N 317.353 -0.510 30 20 DBED N#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cc1nc2ncccn2n1 1096536596 AEZGACSGXGOGQO-WOPDTQHZSA-N 311.349 -0.088 30 20 DBED CNS(=O)(=O)CC(=O)N1CC[C@H](Nc2ccc(C#N)nc2)C1 1096938737 HFBVOYUJFPXTSY-LBPRGKRZSA-N 323.378 -0.485 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1C[C@H](Nc2cc(C)ncn2)C1 1097014760 AGEYNSAVZPPIQR-HAQNSBGRSA-N 301.350 -0.016 30 20 DBED C[C@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)Nc1cncc(C#N)n1 1098213247 DTFCDAKNTBEFBB-SCZZXKLOSA-N 303.326 -0.712 30 20 DBED C[C@H](CNC(=O)CN1CCOCC1=O)Nc1nccnc1C#N 1098355663 IKSILWCLBXCAML-SNVBAGLBSA-N 318.337 -0.876 30 20 DBED C=CCNCc1cn([C@H]2CCN(C(=O)CCCC(N)=O)C2)nn1 1098790367 SVIJCLGYSIVYJH-ZDUSSCGKSA-N 320.397 -0.017 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)COCCC)[C@@H](O)C1 1099733092 RJKYCFADTDHWSV-OLZOCXBDSA-N 313.398 -0.733 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CCN(CCC(C)C)C[C@H]1O 1099789253 LYNMWIAWDICCSE-UONOGXRCSA-N 309.410 -0.277 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)CNC(=O)N2CCCC2)[C@@H](O)C1 1099830344 QFBLPSRBXITXNP-KBPBESRZSA-N 324.425 -0.081 30 20 DBED C=CC(C)(C)CC(=O)N[C@H]1CCN(CC(=O)NCC#N)C[C@@H]1O 1099850007 LFGMVDBMJZNMLB-STQMWFEESA-N 322.409 -0.220 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)CNS(=O)(=O)CC)[C@@H](O)C1 1099860468 CDVWAFXWFLOWJG-NEPJUHHUSA-N 319.427 -0.947 30 20 DBED C#CCN1CC[C@H](NC(=O)C(=O)Nc2ccccc2)[C@@H](O)C1 1099904133 QWTAFVRISKKOGO-KBPBESRZSA-N 301.346 -0.190 30 20 DBED C=CCNC(=O)NC(=O)CNC1CC(CNC(=O)[C@@H](C)C#N)C1 1100191685 UAJLUVYHFYNOJG-UNXYVOJBSA-N 321.381 -0.358 30 20 DBED CN(CCNC(=O)c1cn(C)c(=O)cn1)c1ncccc1C#N 1100417750 IEZNENLWXDETPS-UHFFFAOYSA-N 312.333 -0.087 30 20 DBED CCN(CCNC(=O)CNC(N)=O)c1cc(C)ncc1C#N 1100458396 AITFRRAIMAZAFW-UHFFFAOYSA-N 304.354 -0.128 30 20 DBED CCN(CCNC(=O)CN1CCOCC1)c1nccnc1C#N 1100513369 RRNRYTPYEXAICW-UHFFFAOYSA-N 318.381 -0.377 30 20 DBED CN(C)C(=O)CC(=O)NC[C@@H]1CCN(c2cncc(C#N)n2)C1 1101062292 GDJVFIWTBXCLRV-NSHDSACASA-N 316.365 -0.231 30 20 DBED CCCN(CCNC(=O)Cn1nccn1)c1nccnc1C#N 1101189893 VSMNTMCRKBNLBR-UHFFFAOYSA-N 314.353 -0.027 30 20 DBED C=C[C@](C)(O)CC(=O)N(C)CCN=c1cc[nH]c(C(=O)OC)n1 1101586384 YCDSDVDPZAPXHQ-HNNXBMFYSA-N 322.365 -0.118 30 20 DBED CN1C[C@@H](C(=O)N(C)CCNc2cnc(C#N)cn2)NC1=O 1101903338 ZNTYMTFMFXYOEF-JTQLQIEISA-N 303.326 -0.758 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)CC(C)(C)O)C1 1102926489 FFPWIRPEHXXUQZ-ZIAGYGMSSA-N 323.437 -0.029 30 20 DBED C[C@H](CNC(=O)c1cnnn1C)CNc1cnc(C#N)cn1 1103962199 SIOVJJPDZIGFLT-VIFPVBQESA-N 300.326 -0.045 30 20 DBED C[C@H](CNc1nccnc1C#N)N(C)C(=O)Cn1ncnn1 1104689839 YIUPDQYPNWBKCP-SECBINFHSA-N 301.314 -0.706 30 20 DBED CC(C)[C@@H](CNC(=O)Cn1cnnn1)Nc1cncc(C#N)n1 1105106202 NYLFGJVOUVLIIH-LLVKDONJSA-N 315.341 -0.412 30 20 DBED CC#CCNCc1cn(C2CN(C(=O)CNC(=O)OC)C2)nn1 1105173990 CPRVKSYIIJGIPU-UHFFFAOYSA-N 320.353 -0.870 30 20 DBED CN(C)CCOCC(=O)N(C)CCN(C)c1ccc(C#N)nn1 1105430617 QFUINTSSEVHBPZ-UHFFFAOYSA-N 320.397 -0.179 30 20 DBED N#Cc1nc(=NC[C@@H](O)CNC(=O)Cc2cccs2)cc[nH]1 1105710421 FGNXBSIKUBOOLQ-SNVBAGLBSA-N 317.374 -0.037 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](O)CNC(=O)[C@H]2CCCN2C)n1 1105754566 HIKZEXSZPBCEAE-QWHCGFSZSA-N 318.381 -0.360 30 20 DBED Cc1ccnc(C(=O)NC[C@H](O)CNc2cncc(C#N)n2)n1 1105804653 XCDQHQFHOKNXTL-LLVKDONJSA-N 313.321 -0.351 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@@H](O)CNc2ccc(C#N)nn2)c1 1105809138 WUUYWRSZJYJTRN-NSHDSACASA-N 311.305 -0.249 30 20 DBED CS[C@H](C)CC(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1 1105827505 TUBBWVIHJRLKFU-ZJUUUORDSA-N 309.395 -0.199 30 20 DBED COC[C@@H](OC)C(=O)NC[C@H](O)CNc1ccc(C#N)c(C)n1 1106087302 NYRDEVMAPWTDJC-CHWSQXEVSA-N 322.365 -0.188 30 20 DBED C#CCNC[C@@H]1CN(C(=O)CN2C(=O)NC(=O)C2(C)C)C[C@H]1C 1106834531 BTNKSWOSBNCAEL-VXGBXAGGSA-N 320.393 -0.366 30 20 DBED Cn1oc(C(=O)NC/C=C\CN=c2cc[nH]c(C#N)n2)cc1=O 1107170947 XSNLXWQTLWNIPN-IHWYPQMZSA-N 314.305 -0.540 30 20 DBED COC[C@H](C)CC(=O)NCc1cn(C2CN(CC#N)C2)nn1 1107226312 QEQJSQFIIYUEPJ-LLVKDONJSA-N 306.370 -0.053 30 20 DBED C[C@@]1(CNC(=O)c2ccco2)CN(CC(=O)NCC#N)CCO1 1107695157 WVOIPXHKAALGSO-OAHLLOKOSA-N 320.349 -0.260 30 20 DBED C=CCOCCN1CCO[C@](C)(CNC(=O)CNC(N)=O)C1 1107724149 KMLGFAYQBKAXFY-CQSZACIVSA-N 314.386 -0.936 30 20 DBED C[C@H](CNc1nccnc1C#N)NC(=O)C[C@@H]1CCC(=O)N1 1107838357 BQWRZRYYXTWQDY-ZJUUUORDSA-N 302.338 -0.066 30 20 DBED C[C@H](CNc1ccc(C#N)nc1)NC(=O)C[C@@H]1NC(=O)NC1=O 1108193881 FLYLSSSBRTYGEE-KCJUWKMLSA-N 316.321 -0.532 30 20 DBED C#CCCN1CCO[C@@](C)(CNC(=O)C[C@@H]2CC(=O)NC2=O)C1 1108446796 JLYBVGSDGZHULA-WBMJQRKESA-N 321.377 -0.730 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CC(=O)N(C2CN(C[C@@H](C)O)C2)C1 1108543654 ZCDIZGTXKKGGLR-CHWSQXEVSA-N 307.394 -0.572 30 20 DBED C[C@@H](CN(C)c1ccc(C#N)nn1)NC(=O)[C@H]1COCCO1 1108829774 URLIKEPUJKVVAQ-CMPLNLGQSA-N 305.338 -0.295 30 20 DBED C[C@H](CN(C)c1nccnc1C#N)NC(=O)[C@H]1COCCN1C 1108942645 AUCNBJIFBQDFAJ-DGCLKSJQSA-N 318.381 -0.380 30 20 DBED Cc1cc(C#N)nc(N(C)C[C@@H](C)NC(=O)[C@@H]2CCC(=O)N2)n1 1109027738 WWPLOESDEPWJEI-PWSUYJOCSA-N 316.365 -0.124 30 20 DBED C[C@H](CN(C)c1cnc(C#N)cn1)NC(=O)[C@@H]1CCC(=O)N1C 1109179730 UZHOJQRFKQGRPV-PWSUYJOCSA-N 316.365 -0.090 30 20 DBED N#Cc1nccnc1NC[C@H](NC(=O)CCNC(N)=O)C1CC1 1109850227 RCUYQWBNVHBGJH-NSHDSACASA-N 317.353 -0.287 30 20 DBED CN1CCOC[C@@H]1C(=O)NCC1(Nc2nccnc2C#N)CC1 1110110179 DJMJUJDFPCKVRJ-GFCCVEGCSA-N 316.365 -0.260 30 20 DBED N#Cc1cnc(NC2(CNC(=O)c3c[nH]c(=O)cn3)CC2)cn1 1110320416 SHUQNOGUSSBUNL-UHFFFAOYSA-N 311.305 -0.194 30 20 DBED Cc1cnoc1C(=O)N(CCO)CCN=c1cc[nH]c(C#N)n1 1111502281 ZFGWQSOAWZINJC-UHFFFAOYSA-N 316.321 -0.387 30 20 DBED C=CCNC(=O)CN1C[C@@H]2CCC[C@]2(NC(=O)CC(N)=O)C1 1111678437 DZLQTRRDLYFDLD-NHYWBVRUSA-N 308.382 -0.865 30 20 DBED CCCOCC(=O)NC[C@@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1112708850 AGZAEZYLNSMZAQ-YPMHNXCESA-N 319.365 -0.312 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCN(CC(=O)NCC2CC2)CC1 1112801347 OSOVYXCYMKOWFX-MRXNPFEDSA-N 309.410 -0.016 30 20 DBED COCC#CCN1CCN(C(=O)c2cnc(N(C)C)cn2)CC1 1112852041 NEACDUBSOHTONF-UHFFFAOYSA-N 317.393 -0.050 30 20 DBED C=CCOCC(=O)NC[C@H](C)N(C)c1ncnc2c1nnn2C 1113541187 MWKASDZUVLGABI-JTQLQIEISA-N 319.369 -0.098 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H](C)N(C)c1cnc(C#N)cn1 1113566933 FHBJMFQXLSABEA-LLVKDONJSA-N 314.349 -0.571 30 20 DBED C[C@@H](CNC(=O)Cc1nc[nH]n1)N(C)c1cncc(C#N)n1 1113715436 WMZUFURJBMEFOE-VIFPVBQESA-N 300.326 -0.350 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)CCn3cncn3)[C@H]2C1 1113871552 XIPZEDAIFVTXBP-NHAGDIPZSA-N 303.366 -0.636 30 20 DBED CC(C)C#CC(=O)NC1[C@@H]2CN([C@@H](C)c3nnnn3C)C[C@@H]12 1114247885 QIGJKZTUEUBURZ-QJPTWQEYSA-N 302.382 -0.023 30 20 DBED N#CCNC(=O)CN1C[C@@H]2C(NC(=O)C3(F)CCOCC3)[C@H]2C1 1114381447 VTMOXMUHSHVXIG-QWRGUYRKSA-N 324.356 -0.809 30 20 DBED CCC[C@@H](OC)C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1114669083 OJFQADYLVYZMNC-CZXHOFHRSA-N 308.382 -0.512 30 20 DBED N#Cc1ccc(NC[C@H]2C[C@H](NC(=O)CNC(N)=O)C2)cn1 1114736070 XIHBKEMSJCHQJB-OTCDBFHCSA-N 302.338 -0.072 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)[C@@H](OC)C(C)C)[C@@H]2C1 1114782002 ZYTWSAPZIPTYQH-JMSVASOKSA-N 307.394 -0.547 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)Cc3nonc3C)[C@@H]2C1 1115049876 NPXNFNOXRPEZFA-VXGBXAGGSA-N 304.350 -0.383 30 20 DBED C[C@@H](CCCNc1ccc(C#N)nn1)NC(=O)c1nnn(C)n1 1115052930 ULHWRSGMEJMHQN-VIFPVBQESA-N 315.341 -0.118 30 20 DBED N#CCN1C[C@@H]2C(NC(=O)COc3ccc(C(N)=O)cc3)[C@H]2C1 1115261276 NMQBTPJBZNCLBS-STQMWFEESA-N 314.345 -0.266 30 20 DBED C=CCCCN1C[C@@H]2C(NC(=O)c3cn(CC(N)=O)nn3)[C@H]2C1 1115295640 CSCCBCBDVUAXEP-QWRGUYRKSA-N 318.381 -0.610 30 20 DBED C[C@H](CN(C)C(=O)CCNC(N)=O)Nc1nccnc1C#N 1115727704 UIBYVEVBEYOMCV-SECBINFHSA-N 305.342 -0.335 30 20 DBED C=CCS(=O)(=O)CCNC(=O)c1cccc(C(=O)NC)n1 1116544315 MONFEMTXMCSKJT-UHFFFAOYSA-N 311.363 -0.228 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCO[C@]2(CCO[C@H]2C)C1 1117391325 OYFQGMWHPVOZNF-SWLSCSKDSA-N 310.350 -0.841 30 20 DBED CC(C)NC(=O)[C@@H](C)NC(=O)C(=O)Nc1cccc(C#N)n1 1118139511 KUMLCQVIYIEXNT-SECBINFHSA-N 303.322 -0.079 30 20 DBED N#CCN1CCC(NC(=O)C(=O)N2CCC(CCN)CC2)CC1 1118329663 XAKUDHSUEUIQJA-UHFFFAOYSA-N 321.425 -0.322 30 20 DBED C=CCOCCn1nnnc1N1CCS(=O)(=O)C[C@@H](C)C1 1120088244 ICOSKLSTSKVHAT-NSHDSACASA-N 315.399 -0.253 30 20 DBED C[C@H](CN(C)C(=O)Cn1ncnn1)N=c1cc[nH]cc1C#N 1120128216 HJRVIHXHKDDCSC-SNVBAGLBSA-N 300.326 -0.679 30 20 DBED C#CCNC(=O)CC(=O)NC1CC2(CC(NCCCO)C2)C1 1120980878 HYTAQWILKJCAGE-UHFFFAOYSA-N 307.394 -0.475 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H](CO)Nc2cncc(C#N)n2)c1 1121266587 WKRUHEOGAQZNJT-LLVKDONJSA-N 311.305 -0.249 30 20 DBED Cc1c(C(=O)NC[C@@H](CO)Nc2ccc(C#N)cn2)nnn1C 1121406300 SJZJYWJNQKDMFF-NSHDSACASA-N 315.337 -0.407 30 20 DBED C=CCn1c(N2CCN3CCOC[C@H]3C2)nnc1C1(O)CC1 1121637234 JDBZBXALXCMZQB-GFCCVEGCSA-N 305.382 -0.034 30 20 DBED CCN(C)CCC(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1 1122028871 PASWRRYHIVDYGB-LLVKDONJSA-N 306.370 -0.999 30 20 DBED COCC#CCNC1CC2(C1)CC(NC(=O)[C@@H]1CCC(=O)N1)C2 1122086695 AGKZRHADASYVOZ-XJIRZWNVSA-N 319.405 -0.068 30 20 DBED N#C[C@@H](C(=O)[C@@H]1CCSC1)C(=O)N1CCS(=O)(=O)CC1 1122500174 YWBBFRNBXLBXCY-ZJUUUORDSA-N 316.404 -0.295 30 20 DBED COCCCNC(=O)[C@@H](C#N)C(=O)CCn1cnccc1=O 1122507295 WVKRNCVZMDAUBO-NSHDSACASA-N 306.322 -0.505 30 20 DBED N#Cc1nc(=N[C@@H](CO)CNC(=O)C2CC3(CC3)C2)cc[nH]1 1122569232 WMWAAHBZVZMGBF-LLVKDONJSA-N 301.350 -0.151 30 20 DBED CN(C)C(=O)CC(=O)NC[C@H](CO)Nc1ncccc1C#N 1122629897 PZKNMINDUUZFLL-LLVKDONJSA-N 305.338 -0.679 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)c1ccc(C)n1C 1123492366 WPVGGEOMJMDGAH-UHFFFAOYSA-N 321.381 -0.335 30 20 DBED COC[C@@H](C)C(=O)N(C)C[C@@H](O)CNc1cnc(C#N)cn1 1124195825 BQSWLXWVHYHTGD-PWSUYJOCSA-N 307.354 -0.138 30 20 DBED CN(C[C@@H](O)CNc1cncc(C#N)n1)C(=O)c1ccn(C)n1 1124352018 JEROIYVFSRFDBQ-NSHDSACASA-N 315.337 -0.373 30 20 DBED CN(C[C@@H](O)CNc1ccc(C#N)nn1)C(=O)c1cnco1 1124622304 PEEOZMLUAQVRRZ-JTQLQIEISA-N 302.294 -0.119 30 20 DBED N#Cc1cc(CNCCNC(=O)Cn2ncnn2)ccc1F 1127433854 XLGBCNPLBWTUCP-UHFFFAOYSA-N 303.301 -0.410 30 20 DBED CCOCC(=O)N[C@@H]1CN(CC#CCOC)C[C@@H]1n1ccnn1 1128652147 GHPJCQIWUOZOCS-KGLIPLIRSA-N 321.381 -0.694 30 20 DBED C#CCC1(C(=O)NCCNCC(=O)N2CCOCC2)CCC1 1129120926 KCTXNSIYOPEDBK-UHFFFAOYSA-N 307.394 -0.255 30 20 DBED CC#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)CCN(C)C)C1 1129219635 HSIDUQAATRAQSQ-KGLIPLIRSA-N 304.398 -0.405 30 20 DBED CCOCCC(=O)NCc1nc([C@H]2COCCN2CC#N)n[nH]1 1130832022 RGIKPIDIYHLRQJ-LLVKDONJSA-N 322.369 -0.256 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)c2cc(COC)on2)C1=O 1134913331 PJTQNYZROVFVQX-LBPRGKRZSA-N 322.365 -0.073 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1csc(Cl)n1 1146814856 UTCNPFUNDMFEGY-UHFFFAOYSA-N 300.771 -0.135 30 20 DBED COCC#CCNCCNC(=O)c1cn(C2CCOCC2)nn1 1146943653 RAJMTQREWQODDO-UHFFFAOYSA-N 321.381 -0.401 30 20 DBED C=C(C)CN1CCCO[C@@H](CNC(=O)C[C@H]2CC(=O)NC2=O)C1 1150831059 KOWDPSIXQNQMRG-STQMWFEESA-N 323.393 -0.178 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)[C@@H]1CCCNC1=O 1153914455 MWIJKUJYYCYXII-CHWSQXEVSA-N 322.409 -0.911 30 20 DBED COC[C@@H](C)OC[C@H](O)CNCCCNC(=O)C#CC1CC1 1157682410 FTXZQUWHGYEMIM-UKRRQHHQSA-N 312.410 -0.092 30 20 DBED CNC(=O)NC(=O)CN(C)C[C@H]1CCCCN1C(=O)[C@@H](C)C#N 1157696533 XQRIRIGOBHYCSG-NWDGAFQWSA-N 323.397 -0.085 30 20 DBED N#CCNC(=O)CNCCCNC(=O)c1cc2cccn2cn1 1160764155 FZBOCANJEGOIDK-UHFFFAOYSA-N 314.349 -0.316 30 20 DBED CC(=O)N1CCO[C@@H](C(=O)NCCC2=CCN(CC#N)CC2)C1 1161801237 DRRCVBUWOZVSRH-OAHLLOKOSA-N 320.393 -0.104 30 20 DBED C#CCNC(=O)CNCC1(CCNC(=O)c2cnn(C)n2)CC1 1167450838 UDDVMOCBAJLQHR-UHFFFAOYSA-N 318.381 -0.946 30 20 DBED CN(C)c1cc(C(=O)NCCCNCC(=O)NCC#N)ccn1 1167497772 MFOGRPUGCIWFJG-UHFFFAOYSA-N 318.381 -0.503 30 20 DBED C#CCNC(=O)CN1CCO[C@H]2CCN(C(=O)C3(C)CC3)C[C@@H]21 1177011976 HTTGHVRMYMZWRO-KBPBESRZSA-N 319.405 -0.162 30 20 DBED C=C(C)CN[C@H]1CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)[C@H]1C 1179666769 CIJJMZNLISTBMC-DRZSPHRISA-N 310.398 -0.478 30 20 DBED C#CCNCCCCCCNC(=O)[C@@H](CCC(N)=O)NC(C)=O 1179832316 WFROUPFJGTYLIN-CQSZACIVSA-N 324.425 -0.344 30 20 DBED CC(C)C#CC(=O)N1CC[C@@H](NCCN(C)S(C)(=O)=O)C1 1182423039 NJPJPGXILJQRGM-CYBMUJFWSA-N 315.439 -0.272 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)[C@@H]2CCCN(C(N)=O)C2)C1 1184058154 IVMHZAZLXXFNKE-ZIAGYGMSSA-N 322.409 -0.383 30 20 DBED CNS(=O)(=O)CC(=O)N1CC[C@H](CNCC#N)[C@H](C)C1 1185708661 BYWDFYXUOLFDCT-GHMZBOCLSA-N 302.400 -0.867 30 20 DBED COC[C@H](O)CN1C[C@@H]2CCN(C(=O)CSCC#N)[C@@H]2C1 1186917764 ZLQPZTLRCFURKV-YNEHKIRRSA-N 313.423 -0.217 30 20 DBED CCO[C@H](CC)C(=O)N1CC[C@@H](N(C)CC(=O)NCC#N)C1 1189188082 GCXUPCYJUKJTDQ-CHWSQXEVSA-N 310.398 -0.026 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](N(C)CCn2cccn2)C1 1189759608 AKOSFXYFGNJPCA-CQSZACIVSA-N 317.393 -0.445 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC[C@@H](N(C)CC(=O)NCC#N)C1 1189919224 ZKZVXCHPBJWSIK-IUODEOHRSA-N 308.382 -0.514 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(CC(=O)N(CC)CC)C[C@H]1O 1191770191 AIZDOLBECQGWRD-CHWSQXEVSA-N 313.398 -0.781 30 20 DBED C[C@H](O)CCCN1C[C@@H](O)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 1192249309 QFSIENUYXDIIQG-ZLKJLUDKSA-N 306.366 -0.178 30 20 DBED CC(C)[C@H](C)NC(=O)CN1C[C@@H](O)[C@H](NC(=O)C#CC2CC2)C1 1192770164 GXZCFPOLBZDEEI-NWANDNLSSA-N 321.421 -0.278 30 20 DBED C[C@H](C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1O)C(C)(C)C 1194137555 VLLKEFPEJLCRNZ-IJLUTSLNSA-N 310.398 -0.530 30 20 DBED C#CCNC[C@H]1CN(C(=O)C(=O)N2CC[C@H](C)C2)CCCO1 1201824125 PSGPJIPIEVYUIM-KBPBESRZSA-N 307.394 -0.305 30 20 DBED C=C(C)CN1C[C@@H](NC(=O)CNS(=O)(=O)CC)[C@H](C)C1 1207283298 BDELYYWFWGSQLI-VXGBXAGGSA-N 303.428 -0.062 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)Cn2nccc2C)[C@H](C)C1 1208972247 VXEYZVNESDZXIV-TZMCWYRMSA-N 319.409 -0.070 30 20 DBED CC#CCN1C[C@@H](NC(=O)[C@@]2(CC)CCNC2=O)[C@H](OC)C1 1212425905 JXXNIJBHEGRERX-IOASZLSFSA-N 307.394 -0.259 30 20 DBED CCC[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1OC 1213403957 VITOOTPRDUGHKQ-AAVRWANBSA-N 322.409 -0.122 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)c2cnnn2CC)C[C@H]1C 1214559744 NCRLOVPSGGRDLL-VXGBXAGGSA-N 320.397 -0.350 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)c2ccco2)C1 1219105137 RBFCMGRPFBNSJA-UTUOFQBUSA-N 307.350 -0.255 30 20 DBED CC1(CC(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@@H]2O)CCCC1 1219567955 MVIISAYSKMGJSK-OLZOCXBDSA-N 322.409 -0.242 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)c2ccc(C)nn2)C1 1219585834 VVNAFJHSLAVJCU-KGLIPLIRSA-N 304.350 -0.790 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2nccn2CC)C[C@@H]1O 1219602881 JOHDVPPTBZYDQA-MJBXVCDLSA-N 320.393 -0.397 30 20 DBED N#CCN[C@@H]1CCCN(C(=O)CCCCCS(N)(=O)=O)C1 1222186010 SPGAWZMCRMJJNH-GFCCVEGCSA-N 316.427 -0.061 30 20 DBED Cn1ccc(C(=O)NC2CCN(CC(=O)NCC#N)CC2)n1 1230262553 FZEDWXFOZQMWRB-UHFFFAOYSA-N 304.354 -0.746 30 20 DBED C=C[C@](C)(O)CC(=O)N(C)C[C@H]1CCN1CCOCCO 1233935535 CEMKGRIZXXIMQL-HIFRSBDPSA-N 300.399 -0.145 30 20 DBED C=C[C@@](C)(O)CC(=O)N(C)C[C@H]1CCN1Cc1nnnn1C 1233976594 GZHAWDBZBVYYBN-BXUZGUMPSA-N 308.386 -0.430 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)c1cnnc(O)c1 1235603153 UNYQELWSFCVMMP-LBPRGKRZSA-N 317.349 -0.922 30 20 DBED C#CCCCNC(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1 1320747122 WBUDVQFASXKQCP-UHFFFAOYSA-N 309.347 -0.198 30 20 DBED N#CCNC(=O)[C@H](CC(N)=O)NC(=O)c1ccccc1Cl 1321170999 VXSPIWRDDGDUQP-JTQLQIEISA-N 308.725 -0.046 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)NC[C@@]1(C)CCOC1 1323699571 JQTXJAGKMRMECY-CYBMUJFWSA-N 318.395 -0.754 30 20 DBED COCC[C@H]1COCCN1C(=O)C(=O)Nc1cnn(CC#N)c1 1324717630 CCTUDAWSNDJFLU-LBPRGKRZSA-N 321.337 -0.391 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cccnc1F 1326037600 KQGUOBFHTWJBIS-UHFFFAOYSA-N 315.326 -0.124 30 20 DBED N#CCNC(=O)CNC(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 1326478372 BCGRYHOWQQWYNG-NSHDSACASA-N 315.333 -0.814 30 20 DBED COC(=O)C1CCC(NC(=O)C(=O)N2CCO[C@H](C#N)C2)CC1 1326499761 SXRDSYKVHYQANL-HTAVTVPLSA-N 323.349 -0.415 30 20 DBED CC#CC[C@H](CO)NC(=O)NCC1CCS(=O)(=O)CC1 1326766127 AZCFEOWNWASXFJ-GFCCVEGCSA-N 302.396 -0.115 30 20 DBED COCC[C@](C)(O)CNC(=O)C(=O)Nc1cccc(C#N)n1 1328223381 JQYLTWWGVOIFON-AWEZNQCLSA-N 306.322 -0.205 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)CC[C@@H]2NC(=O)NC2=O)C1=O 1328619849 AIRKLXZGQRUJPV-VHSXEESVSA-N 308.338 -0.780 30 20 DBED CCNCCCNC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1331307394 YDWHFTKFULWKSH-ZDUSSCGKSA-N 307.398 -0.699 30 20 DBED C=CCN(CC=C)C(=O)C(=O)N1CCC(C(=O)NCCO)CC1 1331987095 XSBXIUBBIYNKNM-UHFFFAOYSA-N 323.393 -0.466 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CCC[C@H](N)C2)C1=O 1333458039 ZDQSWEXRIRLXFX-AVGNSLFASA-N 322.409 -0.382 30 20 DBED CCN1CCC[C@H](NC(=O)C(=O)N2CCC[C@@H](C#N)C2)C1=O 1336250157 OEZKYTSSBARCOP-RYUDHWBXSA-N 306.366 -0.124 30 20 DBED C=CCn1c(CCOC)nnc1N1CCN(C(=O)COC)CC1 1338895115 FDKHTHIELHKDQH-UHFFFAOYSA-N 323.397 -0.052 30 20 DBED CCCNC(=O)[C@H](C)NC(=O)C(=O)Nc1cnn(CC#N)c1 1340052003 IWETXYWPXYPYDD-VIFPVBQESA-N 306.326 -0.624 30 20 DBED COCCCNC(=O)[C@H](C#N)C(=O)c1ccc(C(N)=O)nc1 1344557552 JXJPTWUKHHMQEM-SNVBAGLBSA-N 304.306 -0.344 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N[C@@H]1CCN(C(=O)CC)C1 1349334121 GXEWCLPVVGNZNU-QWHCGFSZSA-N 323.393 -0.342 30 20 DBED CN(C)C(=O)N[C@@H]1CCCN(C(=O)Cn2cnc(C#N)n2)C1 1363444461 OBDMLZJKXBHOIM-SNVBAGLBSA-N 305.342 -0.588 30 20 DBED COC(=O)Cn1ccc(NC(=O)N2CC[C@](O)(CC#N)C2)n1 1365030228 DGLFWXGJGFVWSW-CYBMUJFWSA-N 307.310 -0.062 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)NCc2nnc3n2CCOC3)C1 1365585392 FRLSFBYSPGHBGP-CYBMUJFWSA-N 306.326 -0.632 30 20 DBED C[C@H](C#N)C(=O)N(C)CCN(C)C(=O)[C@@H]1CCS(=O)(=O)C1 1376336299 CHFXLDRCZAXJJB-GHMZBOCLSA-N 315.395 -0.502 30 20 DBED C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)CNC(=O)C1CC1 1386711796 IAYXKCBGKHOKBS-VIFPVBQESA-N 317.349 -0.353 30 20 DBED C[C@@H](C#N)C(=O)N(C)C[C@H]1CCN(C(=O)CCn2cnnn2)C1 1388897488 XGFSUJBTAIDOJJ-NWDGAFQWSA-N 319.369 -0.470 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)[C@H]2CCS(=O)(=O)C2)CC1 1393819051 QEYSGDLKFGCQII-ZJUUUORDSA-N 313.379 -0.654 30 20 DBED CC(C)CNC(=O)NC(=O)CN[C@H]1C[C@H](NC(=O)[C@H](C)C#N)C1 1402504713 ZFPOEHJLZWHNPI-IJLUTSLNSA-N 323.397 -0.135 30 20 DBED CC(=O)N1CCC[C@@H]1C(=O)NC1(CNC(=O)[C@H](C)C#N)CC1 1410800543 BDEJMJIXKHEZAR-ZYHUDNBSSA-N 306.366 -0.078 30 20 DBED Cc1onc(CC(=O)N(C)N2CCS(=O)(=O)CC2)c1C#N 1413571918 ARQTWARWYYCCEN-UHFFFAOYSA-N 312.351 -0.499 30 20 DBED COC[C@H](C)C(=O)NCCN1CCN(C(=O)[C@@H](C)C#N)CC1 1414744262 ABNVLWXAUIICSJ-STQMWFEESA-N 310.398 -0.311 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CCCN(C(=O)CCn2cnnn2)C1 1428940902 AAELCVKPNYTJQW-RYUDHWBXSA-N 319.369 -0.328 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](C)CNC(=O)c1ccn2nnnc2c1 1431056977 SBXWEIIWZZWDQO-ZJUUUORDSA-N 315.337 -0.234 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CN(C)C(=O)CCc1cnc[nH]1 1444697227 WJJVKSSURSMNCS-JQWIXIFHSA-N 307.354 -0.563 30 20 DBED CCCN(C)CC(=O)NCCN1CCN(C(=O)[C@@H](C)C#N)CC1 1446910501 URCUDUQXILLEKP-AWEZNQCLSA-N 323.441 -0.252 30 20 DBED C[C@H](CNC(=O)c1cc(C#N)c[nH]1)N(C)C(=O)Cn1cnnn1 1486834726 JXSDKGSOKRZCBK-SECBINFHSA-N 316.325 -0.850 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CCN(C(=O)c2cc(C(N)=O)c[nH]2)C1 1495286270 TUDNSMXXDGCENC-UWVGGRQHSA-N 317.349 -0.148 30 20 DBED C#CCNCC(=O)N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1521170757 ABXUZSSUZDMFIH-OAHLLOKOSA-N 320.437 -0.246 30 20 DBED C=C[C@@](C)(CC)C(=O)N[C@@H]1CN(C(=O)CNC(=O)O)C[C@H]1O 1573347802 OICUITPKAJVBCA-RULNRJAQSA-N 313.354 -0.456 30 20 DBED C=CCCC(=O)N[C@@H](C)CN[C@H](C)C(=O)NCc1cnn[nH]1 1575087668 JSYBISOEBGGPFR-WDEREUQCSA-N 308.386 -0.130 30 20 DBED CC[C@H](NC(=O)Cn1cc(C#N)c(O)nc1=O)c1cnn[nH]1 1576279601 YAVOPGYZMQQNHG-QMMMGPOBSA-N 303.282 -0.794 30 20 DBED Cn1cc([C@@H]2C[C@H]2C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[nH]2)cn1 1581776831 XBNYDSQSIFANKM-JGVFFNPUSA-N 324.308 -0.063 30 20 DBED C#CCCCCCn1c(=O)c(-c2nn[nH]n2)cn(CCO)c1=O 1588345939 QIPYGVORIMEMNF-UHFFFAOYSA-N 318.337 -0.624 30 20 DBED C#CCN(CC(=O)O)c1nnc([C@@H]2CCNC(=O)C2)n1CC=C 1588427277 RYWIRYMREADPMZ-LLVKDONJSA-N 317.349 -0.018 30 20 DBED C=C(Br)CNC(=O)C(=O)NCCOCC(=O)O 1588438975 AXCISOGUCZEIGR-UHFFFAOYSA-N 309.116 -0.771 30 20 DBED COC(=O)[C@H]1CC[C@@H](C(=O)O)N(S(=O)(=O)CCCC#N)C1 1606395351 WWCHWEOAHNFCAO-UWVGGRQHSA-N 318.351 -0.042 30 20 DBED C=C[C@@](C)(CCOC)C(=O)NCCn1cnc(-c2nn[nH]n2)n1 1609052096 KXOPATUNVQULKW-ZDUSSCGKSA-N 320.357 -0.197 30 20 DBED C=CCNC(=O)NC(=O)CN[C@H]1CCN(C(=O)c2cc[nH]n2)C1 1714319089 MCSYQYACYREDHL-JTQLQIEISA-N 320.353 -0.774 30 20 DBED C=C1CC(C)(C(=O)NCCN2CCN([C@@H](C)C(N)=O)CC2)C1 1752373442 SVMVQOLPRCGUHK-ZDUSSCGKSA-N 308.426 -0.050 30 20 DBED C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@H]1CN(CC(=O)NCC#N)C2 1752543254 LLIFOWWUSXSGDL-XDQVBPFNSA-N 320.393 -0.274 30 20 DBED C=CCNC(=O)CNC[C@@H]1CCN(C(=O)[C@H]2CN(C)CCO2)C1 1752933909 DOHVUHAOSSHOAN-UONOGXRCSA-N 324.425 -0.943 30 20 DBED C#CCNC(=O)CN1CC[C@@H](CNC(=O)CC2(COC)CC2)C1 1753124720 LMCRTLZANXAUHG-AWEZNQCLSA-N 321.421 -0.009 30 20 DBED C#CCNC(=O)[C@H](C)NCCN(C)C(=O)CCn1cc(C)cn1 1753265727 MJRIPPXDGVYZKI-AWEZNQCLSA-N 319.409 -0.232 30 20 DBED C#CCOCCC(=O)N(C)C1CN(Cc2ncnn2CC)C1 1754574721 BRZVVXVGUOAHCX-UHFFFAOYSA-N 305.382 -0.020 30 20 DBED COCC#CCNC[C@H](NC(=O)CCNC(N)=O)C1CCCC1 1754656521 POJFSBLUEDXJHH-AWEZNQCLSA-N 324.425 -0.041 30 20 DBED C=C(C)CNC[C@@]1(C)CCN(C(=O)CNC(=O)CNC(C)=O)C1 1754698550 OKNBYFQHFAGPOK-MRXNPFEDSA-N 324.425 -0.357 30 20 DBED C#CCCN1CC(O)(CNC(=O)[C@@H]2CC(=O)N(CC(C)C)C2)C1 1754768633 VPOXBPHAECWLHH-CQSZACIVSA-N 321.421 -0.323 30 20 DBED Cc1cnc2c(cnn2CC(=O)N(CCO)CCNCC#N)c1 1754887446 YUJVKRHRWJKXIB-UHFFFAOYSA-N 316.365 -0.326 30 20 DBED C=CCOCC(=O)N1CCO[C@@H](CNCc2cn(CC)nn2)C1 1754997139 SKJDSIPTRQZGJS-AWEZNQCLSA-N 323.397 -0.182 30 20 DBED C#CCNC(=O)CN[C@]1(CO)CCCN(C(=O)/C(C)=C/C)C1 1755084826 UKFDEEMWNRXANS-ZUFYJRLNSA-N 307.394 -0.355 30 20 DBED C#CCNC(=O)CN(C)C[C@H]1CCCN1C(=O)Cn1ccnc1 1755202503 GYLKACSWABRNCY-CQSZACIVSA-N 317.393 -0.445 30 20 DBED C=CCCCN[C@H](CO)CNC(=O)[C@H]1CCc2nnnn2CC1 1755639534 RVRCNPAXUFIRQE-STQMWFEESA-N 322.413 -0.342 30 20 DBED C=CCN[C@H]1C[C@H](C)N(C(=O)CS(=O)(=O)CCOC)C1 1755680601 HRCOHRVZFYUKSX-RYUDHWBXSA-N 304.412 -0.187 30 20 DBED C#CCCNC[C@@H](O)CN(C)C(=O)c1ccc2oc(O)nc2n1 1755792350 UDVSPOCVMNWKTH-SNVBAGLBSA-N 318.333 -0.026 30 20 DBED C=CCCC(=O)N1CC(CCO)(NC(=O)C[C@H]2COC(=O)C2)C1 1756080004 BHROJRVXLBQVDV-GFCCVEGCSA-N 324.377 -0.015 30 20 DBED CCn1nccc1C(=O)N[C@H](CO)CNC(=O)C#CC(C)C 1756518357 XLNVKAYIODRLFE-LBPRGKRZSA-N 306.366 -0.231 30 20 DBED CC(C)C#CC(=O)NC[C@@H](O)CN(C)C(=O)CCn1cncn1 1756653533 GVJSQCWMQVAUHE-CYBMUJFWSA-N 321.381 -0.737 30 20 DBED CCC(=O)N[C@H](C)C(=O)NC[C@@H](O)CN(C)C(=O)C#CC1CC1 1756661641 BRCHWQDKHSKCMV-DGCLKSJQSA-N 323.393 -0.750 30 20 DBED COCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)S)C2 1795350645 FGIXCBHYZBGRCC-KQXIARHKSA-N 316.423 -0.069 30 20 DBED C#CCCC(=O)N1CCOC[C@@]2(CN(C(=O)C#C)CCO2)C1 1839811925 XCKLTWNSMOQBBD-MRXNPFEDSA-N 304.346 -0.511 30 20 DBED C=CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@@H](C)NC=O)C2 1841610469 MHPPBCLVPMFTSL-CHWSQXEVSA-N 323.393 -0.085 30 20 DBED N#CCCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1CCOC1=O 1847691152 DVSRWGJIBOZUCZ-RYUDHWBXSA-N 320.349 -0.056 30 20 DBED CN1CCC[C@H]1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C#CC(=O)O 1847964401 NWAIOVLPQOJNCD-AVGNSLFASA-N 319.361 -0.630 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC(C(=O)NCCCOC)CC1 56307753 BRWCDGFXMIQFBU-ZDUSSCGKSA-N 309.410 -0.011 30 20 DBED C#CCN(CC)S(=O)(=O)c1cccc(S(N)(=O)=O)c1 57022509 QZZWFQXYPSKQAE-UHFFFAOYSA-N 302.377 -0.022 30 20 DBED N#CCC[C@H](C#N)CN1CCN(C(=O)C(=O)NC2CC2)CC1 76512047 PFEPJDDVMQLXKF-GFCCVEGCSA-N 303.366 -0.147 30 20 DBED Cn1c(=O)c2c(ncn2CC(=O)O[C@@H](C#N)C2CC2)n(C)c1=O 80414848 BGNRGOBBSMWAIJ-VIFPVBQESA-N 317.305 -0.721 30 20 DBED CC(C)(CNC(=O)CN1CCO[C@@H](C#N)C1)N1CCOCC1 106306185 IAKWRGLCVJTUSD-ZDUSSCGKSA-N 310.398 -0.562 30 20 DBED CCNC(=O)[C@H](C)NC(=O)CNC(=O)c1ccc(C#N)cc1 263721347 BHBIVKUFLUOUFL-JTQLQIEISA-N 302.334 -0.071 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCCC[C@H]2O)C1=O 270265473 KMNCLCIBFPLKKL-VHSXEESVSA-N 309.322 -0.617 30 20 DBED C=CCS(=O)(=O)CCNC(=O)NCCCC(=O)N(C)C 272816209 IAVFXEXUDWAKFB-UHFFFAOYSA-N 305.400 -0.245 30 20 DBED C=C(C)CN1CCC(NC(=O)C(=O)N2CCNC(=O)[C@@H]2C)CC1 286866411 ZYOXNEPNJAUFCD-LBPRGKRZSA-N 322.409 -0.510 30 20 DBED CCNC(=O)[C@@H](NC(=O)NCCn1cnc(C#N)n1)C(C)C 292479707 DCFOBCZIEFRBSD-NSHDSACASA-N 307.358 -0.390 30 20 DBED C#CCNC(=O)CCN1CCN(c2ccc(C(N)=O)cn2)CC1 292852397 QSMMUXZBLPDWDO-UHFFFAOYSA-N 315.377 -0.558 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)NCCCN1CCC(O)CC1 330407461 GSEBWTONBNMSRR-LBPRGKRZSA-N 318.443 -0.098 30 20 DBED C=CCN(C(=O)[C@H]1CCC(=O)N1C)[C@H]1CCS(=O)(=O)C1 330753496 JCUDAEZFZDBLTP-WDEREUQCSA-N 300.380 -0.191 30 20 DBED C[C@H](O)C[C@@H]1COCCN1S(=O)(=O)N(C)C[C@@H](C)C#N 336938594 HRCYEALQPWORGH-SDDRHHMPSA-N 305.400 -0.206 30 20 DBED C=CCOC[C@@H](NC(=O)c1ccnc2c1nnn2C)C(=O)OC 338131132 ODHOAAJMTSCCSA-SNVBAGLBSA-N 319.321 -0.163 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H](O)CC2)C1=O 341342177 IKZUCERNHHFMOC-SNVBAGLBSA-N 309.322 -0.663 30 20 DBED N#C[C@@H]1COCCN1CC(=O)Nc1ccc(S(N)(=O)=O)cc1 348695627 BGFLXSDXVAFCIF-LLVKDONJSA-N 324.362 -0.503 30 20 DBED Cn1cc([C@@H](CO)NC(=O)CNc2ccc(C#N)cn2)cn1 351492243 NWDHQOUMBRSFTR-GFCCVEGCSA-N 300.322 -0.052 30 20 DBED C=C[C@H](CO)NC(=O)NCCN1CCN(C(=O)C2CCC2)CC1 358778164 IGWRDYOTIKJRJH-CQSZACIVSA-N 324.425 -0.223 30 20 DBED C=CCN(CCOC)S(=O)(=O)CCNS(=O)(=O)CC 360056748 SMHLZWWYAGWCIC-UHFFFAOYSA-N 314.429 -0.610 30 20 DBED C=C[C@@H](C)NC(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 362687364 BMZFETWIDQDLRH-LLVKDONJSA-N 307.354 0.438 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N[C@H]2CNCC[C@H]2C)nn1 424545251 LNHXXHHGTWKDMN-PWSUYJOCSA-N 306.370 -0.806 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CCC[C@@H](CNC)C2)nn1 424549081 QUJCDSXVZJGQBD-LBPRGKRZSA-N 320.397 -0.462 30 20 DBED CN1C(=O)CC[C@@H](NC(=O)C(=O)Nc2cccc(C#N)c2)C1=O 425825544 KBEJXRRGYZPQEC-LLVKDONJSA-N 314.301 -0.240 30 20 DBED Cn1nnc(CNC(=O)C(=O)Nc2ccc(C#N)cc2Cl)n1 427902731 OTOLVIJAIOAOOI-UHFFFAOYSA-N 319.712 -0.010 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCN[C@@H](C)C2)C1=O 447515381 BVYSLBQWBJBIIZ-VHSXEESVSA-N 308.338 -0.780 30 20 DBED C=C(C)CNC(=O)NCCNS(=O)(=O)Cc1ccon1 488585622 WXVJSZCKFGQPKS-UHFFFAOYSA-N 302.356 -0.031 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)CN(C)CCC)CC1 490697920 MATCXGDCXIUTLT-UHFFFAOYSA-N 308.426 -0.388 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2O[C@@H](C)C[C@@H]2C)CC1 491045298 KFRKXNBCQSAHAS-KCQAQPDRSA-N 307.394 -0.307 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@H]2C[C@H]3CC(=O)[C@@H]2C3)CC1 491538545 ZSNPKMIJHMFQGZ-MJBXVCDLSA-N 317.389 -0.505 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2cc(C=O)[nH]c2C)CC1 491781124 FXHDCHCLXGUKKW-UHFFFAOYSA-N 316.361 -0.357 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)c2cc(C)ncn2)CC1 536168529 QEMFDXMIQRLKRC-UHFFFAOYSA-N 303.366 -0.155 30 20 DBED COCC[C@@H](NS(=O)(=O)N(CCC#N)CCOC)C(=O)O 573124892 OJINEUDQCGMQQM-SNVBAGLBSA-N 323.371 -0.827 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H](CCOC)C(=O)O 574695287 IFPUKTBDFJSFEU-NXEZZACHSA-N 307.372 -0.208 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(CCC2CCNCC2)c1=O 575861274 QAWRRFJRCZYYRF-UHFFFAOYSA-N 320.393 -0.067 30 20 DBED COCCN(CCC(=O)O)S(=O)(=O)N(C)[C@H](C)CC#N 578898363 VSWHPWQLPNPIOW-SNVBAGLBSA-N 307.372 -0.112 30 20 DBED N#Cc1ccc(NCC(=O)NCC[C@@]2(O)CCCOC2)nc1 593881213 FGOQQGIDKGDWTC-HNNXBMFYSA-N 304.350 0.413 30 20 DBED CCOC(=O)[C@H](N)C(=O)Nc1n[nH]c2cc(C#N)c(C)cc12 595960864 XMQLNFHOBQTTIG-LLVKDONJSA-N 301.306 0.572 30 20 DBED COC[C@@H]1CCCN(C(=O)C(=O)N2CCN(CCC#N)CC2)C1 601456834 ZMVGQEMJDUSODO-CQSZACIVSA-N 322.409 -0.071 30 20 DBED CS(=O)(=O)N1CCN(CCNCc2ccc(C#N)o2)CC1 610270874 TWNMWWSEHCLLCB-UHFFFAOYSA-N 312.395 -0.182 30 20 DBED C=C[C@](C)(O)C(=O)N(C)CCOCCNC(=O)[C@](C)(O)C=C 619326295 OYOORRQFOHOGTH-CABCVRRESA-N 314.382 -0.548 30 20 DBED N#CCc1cccc(S(=O)(=O)NCC(=O)NCC(=O)O)c1 619461375 SRZGMONXAVYAAT-UHFFFAOYSA-N 311.319 -0.768 30 20 DBED C=CC[C@@H](CO)CNC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 626361996 YFNHJHXSDFWZDD-NEPJUHHUSA-N 304.412 -0.041 30 20 DBED N#Cc1ccc(S(=O)(=O)N2C[C@@H](CO)[C@@H](CO)C2)s1 705389584 LLHGYVKHOCVNDS-DTORHVGOSA-N 302.377 -0.159 30 20 DBED C#CC[C@@H](CO)NC(=O)[C@H](CCSC)NS(=O)(=O)CC 717769708 KQHLDCVSFQRABI-QWRGUYRKSA-N 322.452 -0.452 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2C[C@H]3CC[C@H]2O3)CC1 733775238 AQYIWVOCDXBBDW-RBSFLKMASA-N 319.405 -0.162 30 20 DBED N#Cc1cccc(OCCOC(=O)c2cn(CC(N)=O)nn2)c1 745468935 QXGLZKCDZHIEPY-UHFFFAOYSA-N 315.289 -0.129 30 20 DBED C#Cc1cccc(NC(=O)CNC(=O)C2=NN3CCCN=C3N2)c1 748033748 KXIGGUUTGXJXEY-UHFFFAOYSA-N 324.344 -0.299 30 20 DBED C#CCN1CCN(C(=O)CSCCS(C)(=O)=O)CC1 748654205 UCUSVBILGXUYBS-UHFFFAOYSA-N 304.437 -0.458 30 20 DBED C#CCOCCNC(=O)N1CCN(CC(=O)N(CC)CC)CC1 753378343 MZTDNZVPWVNUPQ-UHFFFAOYSA-N 324.425 -0.168 30 20 DBED C#C[C@H](NC(=O)C(=O)NCCc1ccn(C)n1)[C@@H]1CCCO1 809175950 ICCQMJUUDVYQKP-STQMWFEESA-N 304.350 -0.624 30 20 DBED C=CCOCCCC(=O)NN1C(=O)[C@@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C1=O 828677790 CKGDHXATRXMSDD-WFFHOREQSA-N 306.318 -0.061 30 20 DBED NC1(CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CCC1 831549624 HHCSVDUQHLEMHG-UHFFFAOYSA-N 322.390 -0.277 30 20 DBED N#C[C@@H]1CNC[C@@H]1NC(=O)CNC(=O)c1ccc(F)c(F)c1 834489891 QNXJHVQSVCSGBE-SKDRFNHKSA-N 308.288 -0.078 30 20 DBED Cc1cc(C(=O)N[C@H]2CNC[C@H]2C#N)cc(S(N)(=O)=O)c1C 843461179 KKAQGXIDGHCLPA-NEPJUHHUSA-N 322.390 -0.208 30 20 DBED C#C[C@@H](NC(=O)C(=O)NCCN1CCCC1=O)[C@@H]1CCCO1 846737701 MBJCYIPUDNVQDY-NEPJUHHUSA-N 307.350 -0.978 30 20 DBED C#C[C@](C)(CC)NC(=O)C(=O)c1cc(S(N)(=O)=O)cn1C 854703780 DJSZBVNJAHPFRK-CYBMUJFWSA-N 311.363 -0.227 30 20 DBED C=CCN1CC[C@@H](n2cc(CN3CCNC(=O)C3)nn2)C1=O 883997023 WTSYYWCPUOGAHI-GFCCVEGCSA-N 304.354 -0.831 30 20 DBED C#CC1(O)CN(S(=O)(=O)c2ccc(CCNC(C)=O)cc2)C1 908232845 YFDXKLPZHQWKBN-UHFFFAOYSA-N 322.386 -0.266 30 20 DBED C#CCN1CCC[C@H](NC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1 923551147 JVEBJXVXUIAISP-MJBXVCDLSA-N 307.394 -0.164 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](N(C)C(=O)CN2CCOCC2=O)C1 939406060 KOOYEIVZIOGGHQ-VXGBXAGGSA-N 322.365 -0.936 30 20 DBED CNC(=O)[C@H](C)N1CCC2(CC1)CN(C(=O)[C@@H](C)C#N)CCO2 949053735 HIZJRWVDGFLHRW-STQMWFEESA-N 322.409 -0.026 30 20 DBED C=C(C)CN1CC(N(CC)C(=O)c2cn(C)c(=O)n(C)c2=O)C1 952390324 VFVAXAMGPVNAKV-UHFFFAOYSA-N 320.393 -0.194 30 20 DBED COc1nn(C)cc1C(=O)N(C)C1CN(C(=O)[C@H](C)C#N)C1 954951743 FHYKDNNUCDGTIC-SECBINFHSA-N 305.338 -0.129 30 20 DBED CC#CCN1C[C@@H](O)[C@H](CNC(=O)c2cnc(N(C)C)cn2)C1 958068210 GBIGRKLYRKKHMS-TZMCWYRMSA-N 317.393 -0.412 30 20 DBED COc1cc(C(=O)NC[C@@H]2CN(CC#N)C[C@H]2O)cc(OC)n1 958219251 ICIABRSOTCHEJO-VXGBXAGGSA-N 320.349 -0.355 30 20 DBED C#CCCN1C[C@H](O)[C@H](CNC(=O)c2cnn3c2OCCC3)C1 958220376 XIZGIZSCFFOCBP-OCCSQVGLSA-N 318.377 -0.289 30 20 DBED Cn1cc(CC(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2O)cn1 961845898 HAYUSNBNNSUZQG-KGLIPLIRSA-N 316.361 -0.936 30 20 DBED C=CCN1C[C@@H]2C(NC(=O)Cn3nc4n(c3=O)CCCC4)[C@H]2C1 962240208 MMBHULSARJIFBE-RYUDHWBXSA-N 317.393 -0.387 30 20 DBED CCn1nncc1C(=O)NC[C@H]1COCCN1C(=O)[C@H](C)C#N 964177909 IHGSGACLWZFMEP-MNOVXSKESA-N 320.353 -0.585 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC2(C[C@H](NC(C)=O)CO2)C1 965586458 VMCIVPBQQSZFCF-KBPBESRZSA-N 305.378 -0.410 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)[C@]1(C)CCNC1=O 970002706 ZCSAHOOTSBYSDI-LSSIXWDNSA-N 318.377 -0.126 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)CCn3cncn3)[C@@H]2C1 971349440 URASZFWMAHWHQQ-JHJVBQTASA-N 316.365 -0.113 30 20 DBED N#CCN1CCO[C@]2(CCN(C(=O)CC3OCCCO3)C2)C1 972351329 FAMIKDAUKUUMMG-OAHLLOKOSA-N 309.366 -0.034 30 20 DBED CN(C)C(=O)[C@@H]1CC[C@H](C(=O)NCC2[C@H]3CN(CC#N)C[C@H]23)O1 978706302 NXJKPNYMFORDQA-SYQHCUMBSA-N 320.393 -0.560 30 20 DBED CC#CCN1CCCC2(C1)CN(C(=O)[C@H]1CN(C)C(=O)N1)C2 981936034 WFWPNJBLOYFQTO-CYBMUJFWSA-N 304.394 -0.042 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](NC(=O)CN2CCCC2=O)[C@H]1C 987302481 KNQUMCINXDFLQF-UTUOFQBUSA-N 306.366 -0.126 30 20 DBED Cc1nc(CC(=O)N[C@H]2CCN(C(=O)[C@@H](C)C#N)[C@@H]2C)n[nH]1 987873362 BJAREUDXALQSME-NGZCFLSTSA-N 304.354 -0.079 30 20 DBED C#CCN[C@H]1C[C@@H](C)N(C(=O)c2ccc(S(N)(=O)=O)o2)C1 989096683 YROVQJHFIZKLMK-ZJUUUORDSA-N 311.363 -0.247 30 20 DBED CC#CCN1CC[C@]2(NC(=O)CN3CC(=O)NC3=O)CCC[C@@H]12 992326816 GXBUXFZYWYZKGP-MLGOLLRUSA-N 318.377 -0.325 30 20 DBED C#Cc1cncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C(N)=O)c1 1000169492 VGNAUVZDINDXIY-AGIUHOORSA-N 312.329 -0.590 30 20 DBED C[C@@H](C#N)C(=O)N1CC(CNC(=O)c2ccoc2CC(N)=O)C1 1003893657 TWMACFJHEFORKL-VIFPVBQESA-N 318.333 -0.345 30 20 DBED CC1(C)NC(=O)N(CC(=O)NC2CCN(CC#N)CC2)C1=O 1004094328 LLRFUQRJMQSAOD-UHFFFAOYSA-N 307.354 -0.579 30 20 DBED COc1nn(C)cc1C(=O)NC1[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]12 1013537016 GPESKGWVJRITLM-IVZWLZJFSA-N 317.349 -0.225 30 20 DBED C#Cc1cncc(C(=O)NC2[C@@H]3CN(C(=O)c4nc[nH]n4)C[C@@H]23)c1 1013746888 BEEVXQHYEOYZRS-VXGBXAGGSA-N 322.328 -0.319 30 20 DBED C=CCN1CC[C@@H](N2CC[C@H](NC(=O)Cc3cnc[nH]3)C2)C1=O 1015766518 YUJFHIGSOPKMDW-GXTWGEPZSA-N 317.393 -0.070 30 20 DBED C=CCN1CC[C@H](N2C[C@@H]3CC[C@H](C2)N3C(=O)CC(N)=O)C1=O 1017431309 CXFVOKJDBJSCFK-XQQFMLRXSA-N 320.393 -0.676 30 20 DBED C=CCN1CC[C@@H](N[C@H]2CCN(C(=O)[C@H](O)C(C)C)C2)C1=O 1018801164 YZCMFVHFOSHOJB-BFHYXJOUSA-N 309.410 -0.019 30 20 DBED CCn1ccc(CC(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2O)n1 1023986985 RWEXMSHWOULHAW-CYZMBNFOSA-N 319.365 -0.707 30 20 DBED O=C(N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O)c1ccsn1 1024309612 PGIKEHJXSMXFJT-VXGBXAGGSA-N 305.359 -0.142 30 20 DBED Cn1[nH]c(CNC[C@H]2CCCCN2C(=O)C#CC2CC2)nc1=O 1024959998 LLPSKCKTEOUYKW-CYBMUJFWSA-N 317.393 -0.008 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H](N(C)CC(=O)N2CCOCC2)C1 1027335241 DSNHQJCVFHTLJT-KGLIPLIRSA-N 322.409 -0.072 30 20 DBED C#CCN1[C@H]2CC[C@H]1CN(C(=O)[C@@H]1CN(C(C)=O)CCO1)C2 1029569806 GEGNINMYJVOUIF-KKUMJFAQSA-N 305.378 -0.458 30 20 DBED C#CCCN1CC(NC(=O)Cn2nc3n(c2=O)CCCC3)C1 1031213565 CXLVOUDIGVFQOW-UHFFFAOYSA-N 303.366 -0.795 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@@H](NCC(N)=O)[C@H](C)C2)cn1 1036264160 LPVQGIKKPHJIOX-BXUZGUMPSA-N 300.362 -0.012 30 20 DBED C#CCN1CCC(C(=O)NC[C@@H]2CCN2[C@@H](CC)C(N)=O)CC1 1039042226 NSGIEHZDFUZEJU-GJZGRUSLSA-N 320.437 -0.214 30 20 DBED C=CCCC(=O)N1CC[C@](O)(CNC(=O)c2cnnn2CC)C1 1039642360 JBQSCLGLERNIEX-HNNXBMFYSA-N 321.381 -0.043 30 20 DBED CN1CC[C@H](C(=O)N2CC[C@@](O)(CNC(=O)C#CC3CC3)C2)C1 1039688096 ADWPRNJARYEAFF-WMLDXEAASA-N 319.405 -0.569 30 20 DBED N#CCN1CCC[C@@]2(CCN(C(=O)CN3C(=O)CNC3=O)C2)C1 1040519591 NRZWYJJXQVGUMU-OAHLLOKOSA-N 319.365 -0.624 30 20 DBED Cc1cc(C(=O)N2CC[C@@](O)(CNC(=O)[C@@H](C)C#N)C2)n(C)n1 1040763445 OSKKUUWBWKSQED-ZUZCIYMTSA-N 319.365 -0.419 30 20 DBED C=CCCC(=O)N1CC[C@](O)(CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 1040930031 WFTWHJSIXXMUDN-ZETOZRRWSA-N 309.366 -0.846 30 20 DBED N#Cc1cnc(N2C[C@@H](O)[C@H](NC(=O)c3cccnn3)C2)cn1 1041139592 SEWJVWGCRKVYBW-VXGBXAGGSA-N 311.305 -0.882 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(O)(CNC(=O)[C@@H](CC)OC)C1 1041904229 FBKMOMDQBHWWHC-RISCZKNCSA-N 314.382 -0.572 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)Cc2cncnc2)C1 1041956687 VPPNDMVVBLRPDO-UHFFFAOYSA-N 304.350 -0.325 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)C[C@](C)(O)C2CC2)C1 1042627732 PAVMBUFWZUKYOA-HZMBPMFUSA-N 309.366 -0.613 30 20 DBED C=C[C@H](C)[C@H](C)C(=O)N1CC(O)(CNC(=O)CC(=O)NC)C1 1042741220 IAJUKJBSFVONTO-QWRGUYRKSA-N 311.382 -0.730 30 20 DBED C=CCC(C)(C)C(=O)NCC1(O)CN(C(=O)[C@@H]2CCNC2=O)C1 1043061662 MFWCYDLLLCYGQK-LLVKDONJSA-N 323.393 -0.586 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)[C@@H]2CN3CCC2CC3)C1 1043180621 RAYRNRWBFGULBI-DGCLKSJQSA-N 320.393 -0.823 30 20 DBED C=CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2c[nH]nc2C)C1 1043577231 UPHOBCUZTWXPAE-NSHDSACASA-N 322.365 -0.388 30 20 DBED CCCc1n[nH]cc1C(=O)NCC1(O)CN(C(=O)[C@H](C)C#N)C1 1043803170 DGLFVGQBOANNKW-SNVBAGLBSA-N 319.365 -0.175 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)COCC(F)F)C1 1043960518 BANDSTUEFRAAQE-QMMMGPOBSA-N 305.281 -0.883 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)Cc3ncc[nH]3)C2)cn1 1044117531 KCUWNXIULILXGU-OLZOCXBDSA-N 312.333 -0.415 30 20 DBED CC#CCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCC(=O)N2)C1 1044269130 JCDIRNORJIWYOZ-LBPRGKRZSA-N 321.377 -0.852 30 20 DBED Cc1noc(C(=O)N2CC(O)(CNC(=O)[C@@H](C)C#N)C2)c1C 1045554620 HAFDKNRJUCDSIK-QMMMGPOBSA-N 306.322 -0.246 30 20 DBED C=C[C@@](C)(CC)C(=O)NCC1(O)CN(C(=O)[C@@H]2CCC(=O)N2)C1 1045778519 ZMCLBEBNWHGNOS-NHYWBVRUSA-N 323.393 -0.443 30 20 DBED C[C@@]1(NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)CCN(CC#N)C1 1046322759 WSDBSVAWQCWPJW-XHDPSFHLSA-N 316.365 -0.133 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC(O)(CNC(=O)[C@@H]3CC34CC4)C2)c1 1047140184 DDBHZVPCZCJALT-NSHDSACASA-N 314.345 -0.010 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3[nH]nnc3c2)C1 1047409377 JWNSOVULFHYUEV-RYUDHWBXSA-N 302.338 -0.344 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCCN(C)C2=O)C1 1047593766 VENSXLFOYLFAIQ-ILXRZTDVSA-N 321.421 -0.228 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)CN2C(=O)NC(C)(C)C2=O)C1 1047619011 ZIYLYDVGTFBDGF-QWRGUYRKSA-N 324.381 -0.994 30 20 DBED C#CCOCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)COCC=C)C1 1048554946 LWIQMGXURRVNEW-KBPBESRZSA-N 324.377 -0.741 30 20 DBED CCN(CC)CC(=O)N(C)[C@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1O 1048880709 MMWSPSCSHDGHDR-AVGNSLFASA-N 310.398 -0.482 30 20 DBED N#CCN1C[C@H]2CN(C(=O)c3nccnc3C(N)=O)C[C@H]2C1 1049206745 DMVPBCIAWYKCAI-AOOOYVTPSA-N 300.322 -0.897 30 20 DBED C=CCCCC(=O)N(C)[C@H]1CN(C(=O)Cn2nccn2)C[C@@H]1O 1049360659 GRLWKFMREKWRLB-STQMWFEESA-N 321.381 -0.336 30 20 DBED C#CCCN1CCOC[C@H]1CNC(=O)c1nc2ncccn2n1 1051174491 IYZRHHXXGUDFCS-GFCCVEGCSA-N 314.349 -0.422 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)c1ccc(N(C)C)nn1 1051207582 HIDIOYCNEDGLBC-LBPRGKRZSA-N 303.366 -0.394 30 20 DBED C=C(C)CN1CCOC[C@@H]1CNC(=O)[C@H]1CCS(=O)(=O)N1 1051247690 LIIWHOWSDQALFF-NWDGAFQWSA-N 317.411 -0.929 30 20 DBED C[C@H]1CN(C(=O)c2cnn[nH]2)C[C@H]1CNC(=O)CSCC#N 1052918864 ACUDWSFYSCEAHF-VHSXEESVSA-N 322.394 -0.114 30 20 DBED N#CCN1CC2(C1)CN(C(=O)c1ccc3nnnn3c1)CCO2 1053340533 HMKUTUSJIIPZGZ-UHFFFAOYSA-N 313.321 -0.825 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)[C@@]3(C)CCC(=O)NC3)CO2)C1 1053903076 LXILSZZVNWNDJB-BBRMVZONSA-N 319.405 -0.115 30 20 DBED COCc1nc(C(=O)N[C@@H]2COC3(C2)CN(CC#N)C3)co1 1053970045 DZNRTZRVBJCYDM-JTQLQIEISA-N 306.322 -0.082 30 20 DBED C=CCOCC(=O)N[C@]1(CO)CCCN(C(=O)c2nc[nH]n2)C1 1055830985 HYJJUIGEGDQCPM-CQSZACIVSA-N 323.353 -0.909 30 20 DBED N#Cc1cncc(N2CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)n1 1055862582 GTMMKSJLRPZHJK-NSHDSACASA-N 300.322 -0.725 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@]1(CO)CCCN(C(=O)COC)C1 1055945953 BXKIFGGQRUDGHR-DOMZBBRYSA-N 312.366 -0.859 30 20 DBED N#Cc1ccc(N2C[C@H]3C(NC(=O)CN4CCCC4)[C@@H]3C2)nn1 1056226885 YRLYSSRQUXITRT-CHWSQXEVSA-N 312.377 -0.005 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)Cc1cc[nH]n1 1057256662 PFWMBOINJXHJJM-UHFFFAOYSA-N 306.366 -0.451 30 20 DBED Cc1cncn1CC(=O)NCCN(CCO)C(=O)C#CC1CC1 1057538241 YTIYQYKTKROSMK-UHFFFAOYSA-N 318.377 -0.458 30 20 DBED C#CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)Cc1ccon1 1057583296 MTAWMCMPLDYMOS-LBPRGKRZSA-N 323.349 -0.808 30 20 DBED N#Cc1ccc(N2CC[C@H](NC(=O)c3cncnc3O)C2)nn1 1058475885 CRQZJFOIYRXNSV-JTQLQIEISA-N 311.305 -0.147 30 20 DBED CN1CC[C@H](C(=O)N[C@@H]2CCN(c3cncc(C#N)n3)C2)C1=O 1058515215 WVCVSXLQUBRWKQ-ZYHUDNBSSA-N 314.349 -0.479 30 20 DBED C#CCO[C@H](C)C(=O)NCC[C@H]1CCN(C(=O)c2nc[nH]n2)C1 1060111559 DESLMVQRZONEAR-NEPJUHHUSA-N 319.365 -0.189 30 20 DBED C=CCCC(=O)NC[C@@H]1COCCN1C(=O)[C@H]1CCC(=O)N1 1061406473 JQFWTCGOUZCULU-VXGBXAGGSA-N 309.366 -0.425 30 20 DBED C=CCO[C@@H](C)C(=O)NCC1(NC(=O)[C@H]2C[C@H]2C(N)=O)CCC1 1063427261 CGNIOMSCTLRTTC-TUAOUCFPSA-N 323.393 -0.146 30 20 DBED N#Cc1nc(=NC[C@H]2CCCN2C(=O)C2(C(N)=O)CC2)cc[nH]1 1063549598 JGHPAIIXPCWBHN-SNVBAGLBSA-N 314.349 -0.561 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCO[C@H](CNC(=O)c2ncc[nH]2)C1 1065096870 LPHSHZKFJKIGOW-ABAIWWIYSA-N 322.365 -0.306 30 20 DBED C=CCO[C@H](C)C(=O)NC[C@H]1CN(C(=O)c2cnn[nH]2)CCO1 1065328739 XTXPSMDEIOYVRH-MNOVXSKESA-N 323.353 -0.647 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)[C@]2(C)CNC(=O)C2)CCO1 1065365621 KNLLHTHUURGDKX-LRDDRELGSA-N 323.393 -0.178 30 20 DBED CN(CCCN(C)C(=O)c1cnn(C)n1)C(=O)CSCC#N 1066871435 HOFLLPLYGOFFRK-UHFFFAOYSA-N 324.410 -0.008 30 20 DBED CN(C[C@H]1CCCN1C(=O)CC(N)=O)c1cnc(C#N)cn1 1067743929 NRTJGFNDNAWJAM-LLVKDONJSA-N 302.338 -0.349 30 20 DBED C#CCC1(C(=O)N2CCOC3(CN(C(=O)C(N)=O)C3)C2)CCC1 1068404094 GIDCDERORAGOBJ-UHFFFAOYSA-N 319.361 -0.895 30 20 DBED C=C(C)C[C@H](C)C(=O)NC[C@H]1CCC2(CN(C(=O)C(N)=O)C2)O1 1068609296 VFSMTNSGGNAOLY-NWDGAFQWSA-N 323.393 -0.050 30 20 DBED C[C@@H]1[C@@H](N=c2cc[nH]c(C#N)n2)CCN1C(=O)c1nnn(C)n1 1068929221 ZIJFDVOGRYGJCW-BDAKNGLRSA-N 313.325 -0.991 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC[C@]2(CCN(C(=O)C(N)=O)C2)C1 1069750806 KRCAIUYIFUINOX-WBMJQRKESA-N 321.377 -0.649 30 20 DBED C=CCN1C[C@H]2C[C@@H]3CN(C(=O)Cc4nc[nH]n4)C[C@@]3(C1)O2 1070879406 RWTGXWABRRCTDW-LALPHHSUSA-N 303.366 -0.165 30 20 DBED C#CCCCC(=O)N[C@H]1CCN(C(=O)Cn2ncnn2)C[C@H]1C 1073915468 AYYSHMRUVWRTAR-OLZOCXBDSA-N 318.381 -0.170 30 20 DBED Cn1ccc(CC(=O)N2CC[C@H]3OCCN(CC#N)[C@H]3C2)n1 1074239288 YHMUXLHMFZGBDC-UONOGXRCSA-N 303.366 -0.212 30 20 DBED C#CCOCCC(=O)NCC[C@H](C)NC(=O)c1cnn(C)c1N 1076503878 BGFGAEFGUOJXDM-NSHDSACASA-N 321.381 -0.333 30 20 DBED C=CCOCC(=O)N[C@@H](C)CCNC(=O)[C@]1(C)CCNC1=O 1078451116 PTUAWSALFAHQST-NHYWBVRUSA-N 311.382 -0.274 30 20 DBED C#CCOCCC(=O)N(CC)C1CN(C(=O)Cn2cccn2)C1 1079773451 LMBJLSWBPIGSBD-UHFFFAOYSA-N 318.377 -0.018 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(N(CC)C(=O)Cn2nccn2)C1 1079849620 ZJKLFJGXXQFAMY-GFCCVEGCSA-N 319.365 -0.624 30 20 DBED COCCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 1081377921 ZYKRSQVJCXDRST-YPMHNXCESA-N 320.349 -0.528 30 20 DBED C#CCCCCC(=O)N1C[C@H](CNC(=O)CC(=O)NC)[C@@H](O)C1 1081431747 UFDPVFSKTGBZEI-STQMWFEESA-N 323.393 -0.748 30 20 DBED N#CCSCC(=O)N1C[C@H](O)[C@H](CNC(=O)C#CC2CC2)C1 1081468722 NIBXJZYCTUUWDG-OLZOCXBDSA-N 321.402 -0.408 30 20 DBED C=C(C)CCC(=O)NC[C@H]1CN(C(=O)c2ncn(C)n2)C[C@@H]1O 1081531529 UGKADYYAKKVGLV-RYUDHWBXSA-N 321.381 -0.280 30 20 DBED C=CCN1CC[C@H](N2C[C@H](O)[C@H](NC(=O)c3cc[nH]c3)C2)C1=O 1083482643 NDFLDRUEDUKMIM-RDBSUJKOSA-N 318.377 -0.424 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)CN2CCCCCC2=O)C1 1084037776 JYQMQGDEVSNKQY-KGLIPLIRSA-N 307.394 -0.426 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCc3nnc(C)n3C2)C1 1084084537 ZFCJNWKOLRWVJC-MCIONIFRSA-N 319.409 -0.114 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)C3CC4(C3)CS(=O)(=O)C4)[C@@H]2C1 1084450675 SWRXTDRJFLMQLI-TZMCWYRMSA-N 322.430 -0.023 30 20 DBED C#CCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CN(C(C)=O)CCO1 1085952610 HMRYTQGWTDBUQC-CABCVRRESA-N 307.394 -0.210 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(c2cnc(F)cn2)C[C@H]1O 1090408035 JYYQTLSDGMAQRG-GPCCPHFNSA-N 310.329 -0.392 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)c2cccc(C(N)=O)n2)[C@H](O)C1 1090838182 BWZYATRYTCBBJB-BXUZGUMPSA-N 318.377 -0.078 30 20 DBED C#CCNC(=O)CC(=O)N1CCN(c2nccnc2F)CC1 1093149101 XMGVDPGBSKQONB-UHFFFAOYSA-N 305.313 -0.596 30 20 DBED CC(C)(C)n1nnc(C(=O)NCCN=c2cc[nH]c(C#N)n2)n1 1094203487 UZCQDOSDGQPIHK-UHFFFAOYSA-N 315.341 -0.646 30 20 DBED N#CCN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN1C(=O)CNC1=O)C2 1095052617 VMVFEMKBGOYSDD-DCAQKATOSA-N 305.338 -0.969 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H]1CCN(C(=O)C(=O)NCC2CC2)C1 1095054360 MSBIZYZRPYHEQK-CYBMUJFWSA-N 313.361 -0.086 30 20 DBED C#CCNC(=O)CC(=O)NCCCN(C)c1cc(C)ncn1 1095523379 GUCMFVLFFNGBLJ-UHFFFAOYSA-N 303.366 -0.133 30 20 DBED N#Cc1cccnc1N1CC[C@H](NC(=O)CCn2cnnn2)C1 1096416025 UUNYJCPSBMBQQL-LBPRGKRZSA-N 312.337 -0.275 30 20 DBED N#Cc1ccc(N2CC[C@H](NC(=O)C(=O)NCC(F)F)C2)nn1 1096445462 BKEFYWLBQJKNPB-VIFPVBQESA-N 324.291 -0.576 30 20 DBED COCCO[C@H](C)C(=O)NC[C@@H](C)N=c1cc[nH]c(C#N)n1 1098055431 ZYCMGDPVEIPCPX-GHMZBOCLSA-N 307.354 -0.262 30 20 DBED N#CCNC(=O)CN1CC[C@H](NC(=O)CC(F)(F)F)[C@H](O)C1 1099712736 QEZDJUHQVLDPJD-DTWKUNHWSA-N 322.287 -0.870 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)C2CC=CC2)[C@@H](O)C1 1099743422 JGYGFNMXKUYLEB-KBPBESRZSA-N 307.394 -0.194 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)c2cncnc2)[C@H](O)C1 1099786945 RXKCLTGTRBUHSJ-ZIAGYGMSSA-N 306.366 -0.156 30 20 DBED C=CCC(C)(C)C(=O)N[C@@H]1CCN(Cc2nnnn2C)C[C@@H]1O 1100020679 RAINKBHRQUOCHU-NEPJUHHUSA-N 322.413 -0.136 30 20 DBED N#CCN1CC[C@@H](NC(=O)CNC(=O)c2ccsc2)[C@H](O)C1 1100119986 SOANSESDXYJCAQ-VXGBXAGGSA-N 322.390 -0.447 30 20 DBED CCCCS(=O)(=O)CC(=O)N[C@@H]1CCN(CC#N)C[C@@H]1O 1100130008 WZBKWZMLHGDHJS-NEPJUHHUSA-N 317.411 -0.724 30 20 DBED Cc1cc(N(C)CCNC(=O)c2nnn(C)n2)c(C#N)cn1 1100265371 DKWAOCIECLLINO-UHFFFAOYSA-N 300.326 -0.349 30 20 DBED CC(C)C#CC(=O)NCC1CC(N[C@@H](C)C(=O)NC(N)=O)C1 1100310298 KZGXVYWDZMEWHO-UNXYVOJBSA-N 308.382 -0.286 30 20 DBED CCS(=O)(=O)N[C@H](C)C(=O)NCC1CC(NCC#N)C1 1100351040 JENOHJTZGHRINM-KPPDAEKUSA-N 302.400 -0.678 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CC(CNC(=O)CCN(C)CC)C1 1100827377 BIHQCHDFLJGTBO-WLYUNCDWSA-N 322.453 -0.050 30 20 DBED COCC(=O)N[C@H](C)C(=O)N1C[C@H]2CN(CC#N)C[C@@]2(C)C1 1101247957 ZHWARWYGZCRFRV-JMSVASOKSA-N 308.382 -0.559 30 20 DBED Cc1c(C(=O)N(C)CCN=c2cc[nH]c(C#N)n2)nnn1C 1101535055 OIGRUIRLDJMEAF-UHFFFAOYSA-N 300.326 -0.609 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H]1CN(Cc2nnn(C)n2)C[C@H]1C 1101958573 KZCNVOLIAGEURU-JHJVBQTASA-N 320.397 -0.568 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1CNC(=O)[C@@H](C)CS(C)(=O)=O 1102602824 GBNKRLMMPJXQBP-GRYCIOLGSA-N 301.412 -0.125 30 20 DBED CN(C(=O)CCNC(N)=O)[C@@H]1CCN(c2cnc(C#N)cn2)C1 1102710259 YYGJEWNQMCEQSH-LLVKDONJSA-N 317.353 -0.556 30 20 DBED COC(=O)NCC(=O)N1CCC[C@@H]1CN=c1cc[nH]c(C#N)n1 1103800981 LOZIONAQWGBYJK-SNVBAGLBSA-N 318.337 -0.471 30 20 DBED CNC(=O)CC(=O)NC[C@H](C)CN=c1cc(C)[nH]cc1C#N 1103926028 OEBGHAZXIJEMFR-SNVBAGLBSA-N 303.366 -0.016 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)Cn1cnnc1O 1104526532 JHSZPVCMXWZPJL-SECBINFHSA-N 316.325 -0.974 30 20 DBED C[C@H](CNc1cnc(C#N)cn1)N(C)C(=O)[C@H]1COCCN1C 1104526808 HSGZRLOBOYROBO-DGCLKSJQSA-N 318.381 -0.062 30 20 DBED CCNC(=O)CC(=O)N(C)CCN(C)c1cncc(C#N)n1 1105369369 ZTWSMLODDLIVCF-UHFFFAOYSA-N 304.354 -0.231 30 20 DBED CN(CCN(C)c1nccnc1C#N)C(=O)CCNC(N)=O 1105400400 YGCLXVGBOUEACD-UHFFFAOYSA-N 305.342 -0.699 30 20 DBED Cc1nccc(C(=O)NC[C@@H](O)CN=c2cc[nH]cc2C#N)n1 1105861731 KXYGRVWOYGOBPH-LBPRGKRZSA-N 312.333 -0.324 30 20 DBED C#CCN1CCC(C(=O)NC[C@H](O)CNc2ncccn2)CC1 1105880365 AKCISSMTHZTSNG-AWEZNQCLSA-N 317.393 -0.289 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)c1cn(C)nn1 1106749246 NVDQWQAARZLBSN-UHFFFAOYSA-N 300.326 -0.527 30 20 DBED C#CCO[C@H](C)C(=O)N(CC)CCNc1ccc2nnnn2n1 1106852773 ONNUPBVGGDWNIW-LLVKDONJSA-N 317.353 -0.182 30 20 DBED N#Cc1nc(=NC/C=C\CNC(=O)[C@H]2CCC(=O)N2)cc[nH]1 1107115889 SYYIADCIDPTTCB-JWXWKVPASA-N 300.322 -0.867 30 20 DBED CNC(=O)NCCC(=O)NC/C=C/CNc1ccc(C#N)nn1 1107151721 PWDSWIFOFGZNEV-NSCUHMNNSA-N 317.353 -0.248 30 20 DBED C=C[C@@H](C)[C@@H](C)C(=O)NCc1cn(C2CN(CC(N)=O)C2)nn1 1107198229 YBQCJEWLIANLNW-GHMZBOCLSA-N 320.397 -0.306 30 20 DBED C#CCO[C@H](C)C(=O)NC/C=C\CNc1ccc2nnnn2n1 1107346231 NGGXYOPOINYWLQ-DOGVGXBMSA-N 315.337 -0.358 30 20 DBED C#CCO[C@@H](C)C(=O)NC/C=C\CNc1nccn2nnnc12 1107347070 YJPVLWCFCZCJMM-WYGGZMRJSA-N 315.337 -0.358 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)[C@@H]2CCN(C)C(=O)C2)C1 1108031662 CMLXIRBIKOIOOW-CJNGLKHVSA-N 307.394 -0.305 30 20 DBED Cc1cc(=NC[C@H](C)NC(=O)CS(C)(=O)=O)c(C#N)c[nH]1 1108281574 QGKYDBLAFNOOOF-JTQLQIEISA-N 310.379 -0.355 30 20 DBED COCCOCC(=O)N[C@H](C)CN(C)c1nccnc1C#N 1108881710 BDKSBWOCMCRJHB-LLVKDONJSA-N 307.354 -0.048 30 20 DBED C#CCCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H](C)NC(=O)COC 1109325031 UBQODPYJBGQAGH-CRWXNKLISA-N 307.394 -0.118 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H]1CN(C)C(=O)N1 1109596017 CGRZDSVMVSEFKV-RFGFWPKPSA-N 320.393 -0.619 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(N)=O 1109804434 OWYYCOACKWXYSY-RQJABVFESA-N 322.409 -0.336 30 20 DBED CO[C@@H](C)C(=O)N(C)[C@H]1CN(c2nccnc2C#N)C[C@@H]1O 1111170861 GVOCFKLXBUSXFK-DLOVCJGASA-N 305.338 -0.609 30 20 DBED C#CCN1C[C@@H]2CCC[C@]2(NC(=O)CS(=O)(=O)N(C)C)C1 1111961157 KWTXOUVYWILJDP-JSGCOSHPSA-N 313.423 -0.518 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCN(CCCS(C)(=O)=O)CC1 1112813905 DLEPZDGBCWEFOY-AWEZNQCLSA-N 318.439 -0.108 30 20 DBED CC(C)C#CC(=O)N1CCN(CC(=O)NC[C@@H]2CCOC2)CC1 1112834260 FWYLFCODDIDOTP-HNNXBMFYSA-N 321.421 -0.057 30 20 DBED C#CCO[C@H](C)C(=O)N1CCN([C@H]2CCN(CC)C2=O)CC1 1112846766 XLGPTGMLKOIVPU-KGLIPLIRSA-N 307.394 -0.210 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)CN(C)C2CCC2)CC1 1112969547 MRJORHJWELFHBT-CQSZACIVSA-N 320.437 -0.247 30 20 DBED CCc1cc(C(=O)N2CCN(CC(=O)NCC#N)CC2)no1 1113554752 VBRFHDPYVGLSOO-UHFFFAOYSA-N 305.338 -0.365 30 20 DBED C[C@H]1CCN(c2cncc(C#N)n2)C[C@H]1NC(=O)CC(N)=O 1114007533 ILDTUHXRILTOHN-GXSJLCMTSA-N 302.338 -0.445 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)CNC(=O)CC)[C@H]2C1 1114059966 DJWUIAKQDABPFV-UUIJZJDISA-N 322.409 -0.750 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)c3cn(C)cn3)[C@H]2C1 1114139969 XMYUIQHSQGJRQB-QWRGUYRKSA-N 303.366 -0.618 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@H](C)n3cncn3)[C@H]2C1 1114147353 WSJWMHIXJGTKRP-CIQGVGRVSA-N 318.381 -0.812 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)[C@@H]3CCC(=O)NC3)[C@@H]2C1 1114501763 HUZMJNLPIJGXSR-JHJVBQTASA-N 305.378 -0.791 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@@H](CC(C)C)OC)[C@H]2C1 1114803042 FOIOHHMIDHFALP-CTASWTNQSA-N 321.421 -0.157 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1114857885 YLQUYUXYDASFOF-BIGJJFBESA-N 318.377 -0.736 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)c3ccncn3)[C@H]2C1 1114991759 IYTQYOXJOBJANJ-SRVKXCTJSA-N 315.377 -0.173 30 20 DBED C=CCNC(=O)Cn1nnnc1N1CC[C@H]([C@H]2CCOC2)C1 1120070452 RQDUFKXMLRUGHI-RYUDHWBXSA-N 306.370 -0.162 30 20 DBED C#CCN(C(=O)C(=O)N1CC[C@@H](NC(=O)NC2CC2)C1)C(C)C 1120498188 QDKUHEGNEZAPFP-CYBMUJFWSA-N 320.393 -0.081 30 20 DBED Cc1ocnc1C(=O)NC[C@H](CO)Nc1cnc(C#N)cn1 1121164957 IGVJMFNWEHSSRL-SNVBAGLBSA-N 302.294 -0.153 30 20 DBED Cc1nc(N[C@@H](CO)CNC(=O)[C@H]2C[C@H]2C(N)=O)ccc1C#N 1122567933 NCFBHOXQKXYIQR-UTUOFQBUSA-N 317.349 -0.728 30 20 DBED CCC(=O)NCC(=O)N(C)C[C@H](O)CNc1ccc(C#N)cn1 1124186006 VFGCNRFZDRDHQT-GFCCVEGCSA-N 319.365 -0.289 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C[C@@H](O)CNc1cnc(C#N)cn1 1124519611 NCYFQQHRZVTWCY-YPMHNXCESA-N 317.349 -0.382 30 20 DBED CN(C[C@H](O)CN(C)c1nccnc1C#N)C(=O)[C@H]1CCCO1 1124939237 HAEAKVFMCRXQGI-DGCLKSJQSA-N 319.365 -0.217 30 20 DBED CN(C[C@@H](O)CN(C)c1nccnc1C#N)C(=O)c1cocn1 1124989276 SSQVOOHDYUVDBX-JTQLQIEISA-N 316.321 -0.094 30 20 DBED CN(C[C@@H](O)CN(C)c1ccncc1C#N)C(=O)c1nc[nH]n1 1125140344 YCPWILJNFDKUPG-NSHDSACASA-N 315.337 -0.359 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C[C@@H](O)CN(C)c1cnc(F)cn1 1125161577 KPECLQJDEAVQRS-NEPJUHHUSA-N 324.356 -0.091 30 20 DBED C[C@@H](CC(N)=O)C(=O)NCc1cnn2c1CN(CC#N)CC2 1128431857 LXWBAVHJEUDBQV-JTQLQIEISA-N 304.354 -0.650 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1cn(C)nc1COC 1130449084 QRYPBHSMTLRJQM-LLVKDONJSA-N 321.381 -0.976 30 20 DBED C#CCN1CCN([C@@H]2CCCN(C(=O)CCN(C)C)C2)C(=O)C1 1131716045 BPNGLWVJJOVCQJ-OAHLLOKOSA-N 320.437 -0.294 30 20 DBED CC#CCN1C[C@H](NC(=O)CNS(=O)(=O)CC)CC[C@H]1C 1132077428 HLHYCDMWCWQNGH-CHWSQXEVSA-N 315.439 -0.082 30 20 DBED C=CCOCC(=O)N1CC[C@H](C)[C@H](CNCc2nnn(C)n2)C1 1132705363 LGBAXFOXCQUZDB-QWHCGFSZSA-N 322.413 -0.013 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@@H](CC)N(CC)CC 1133690920 WZTDHOUVFACMRR-UONOGXRCSA-N 310.442 -0.050 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)c1cccnn1 1135739752 RYWKPVVRUZPNLF-NEPJUHHUSA-N 303.366 -0.288 30 20 DBED CC#CCN[C@H](C)C[C@H](C)NC(=O)CS(=O)(=O)N(C)C 1136062926 IQJWVIAXDAHGRL-NEPJUHHUSA-N 303.428 -0.226 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)c1cnc(OC)nc1 1146519461 LUEBAJUTSMZXHH-SNVBAGLBSA-N 307.354 -0.505 30 20 DBED C=CCOCC(=O)N1CC2(CCN([C@@H]3CCN(C)C3=O)C2)C1 1147256528 XNTLTMVLZMIFJM-CYBMUJFWSA-N 307.394 -0.046 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)CC(C)(C)O)C2 1147462087 OCVODABRKBVKPJ-UHFFFAOYSA-N 307.394 -0.569 30 20 DBED C#CCNC(=O)CN1CCCO[C@@H](CNC(=O)[C@H]2CC23CC3)C1 1150363018 JJOGXRLHEDYLOE-UONOGXRCSA-N 319.405 -0.257 30 20 DBED C=CCNC(=O)CN(CC)[C@H](C)CNC(=O)CNC(=O)OC 1152134902 QGBKWAHFSIICLN-LLVKDONJSA-N 314.386 -0.529 30 20 DBED C#CCN1CCC(C(=O)NCCNCC(=O)NCC=C)CC1 1152331058 ZMAPGICHTAKIMW-UHFFFAOYSA-N 306.410 -0.660 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)[C@@H]2CCC(=O)N(C)C2)C1=O 1152509126 QNPRVGNIBVPAHX-OLZOCXBDSA-N 322.409 -0.653 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1cnn(C)c1C1CC1 1153544133 LGBOXHFEBWYFKI-NSHDSACASA-N 317.393 -0.245 30 20 DBED CC#CCN(CC)[C@H](C)CNC(=O)CNC(=O)CNC(C)=O 1154052908 GJUIIBYYQLGDQO-GFCCVEGCSA-N 310.398 -0.911 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)COCCOC 1155881532 RBBMLUKDBVGPRF-GFCCVEGCSA-N 301.387 -0.564 30 20 DBED CN(CC#N)C[C@H]1CCCCN1C(=O)CN1CC(=O)N(C)C1=O 1158750532 LSDFEBXDINEETL-GFCCVEGCSA-N 321.381 -0.283 30 20 DBED C#CCN(C)C[C@H]1CCCCN1C(=O)CS(=O)(=O)NC 1158876491 JTFGFAVZYQFLSP-GFCCVEGCSA-N 301.412 -0.518 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1cc(C)nnc1C 1158902035 RJOJMJGSVUUUGT-UHFFFAOYSA-N 303.366 -0.448 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)CN1CCC[C@@H]1C 1166626874 LIZCLIXSORBKEW-KBPBESRZSA-N 308.426 -0.296 30 20 DBED C#CCNC(=O)CNCCCNC(=O)COC1CCOCC1 1167524124 IMFQENBMMXZYJB-UHFFFAOYSA-N 311.382 -0.973 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)C(C)(C)NC(C)=O 1168493405 BSKFBBZJHZOFDE-NSHDSACASA-N 310.398 -0.865 30 20 DBED CCc1ncncc1C(=O)NCCCNCC(=O)NCC#N 1176232929 AZHOUDMPVVDPRM-UHFFFAOYSA-N 304.354 -0.612 30 20 DBED COCCOCCC(=O)N1CC[C@H]2OCCN(CC#N)[C@@H]2C1 1177161309 CAPZVHCWMYZODU-ZIAGYGMSSA-N 311.382 -0.135 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)c2cnnn2C)[C@H]1C 1178595066 NTJQMFUQPRKMFV-SRVKXCTJSA-N 318.381 -0.854 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](NCC(=O)Nc2nncs2)C1 1181653313 XOYZXVJDRIBTJI-RKDXNWHRSA-N 308.367 -0.173 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](NCc2ncc(C)o2)C1 1182134389 NTFNHKGASLEYQF-GFCCVEGCSA-N 304.350 -0.187 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)Cc2cn(C)nc2C)C1 1183317882 XMXXXCZXYUMEBT-CQSZACIVSA-N 317.393 -0.789 30 20 DBED COCC#CCN1C[C@@H]2CCN(C(=O)[C@@H](COC)OC)[C@@H]2C1 1189092433 BNSHIFWIBAENLH-RRFJBIMHSA-N 310.394 -0.170 30 20 DBED C=C(C)CN(CC)C(=O)CN(C)[C@@H]1CCN(C(=O)C(N)=O)C1 1192103295 ZROLJTLBYMVSAJ-GFCCVEGCSA-N 310.398 -0.571 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2cncc(C#C)c2)C1 1192284819 WZTFJJHDRADLGH-INIZCTEOSA-N 324.384 -0.041 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)CC2OCCCO2)C1 1192419441 CVHRVWJIRILUTG-CHWSQXEVSA-N 314.382 -0.497 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2nnc(CC)o2)C[C@H]1O 1192892100 SRWKETHSMNMJLA-QJPTWQEYSA-N 322.365 -0.668 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CN3CCC2CC3)C1 1193015343 BVIYQEKZWAEFFN-BZUAXINKSA-N 321.421 -0.861 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)Cc2cncn2C)C1 1193463998 YWNSFXWGRLMXHZ-CYBMUJFWSA-N 319.409 -0.203 30 20 DBED CC#CCCCC(=O)N[C@@H]1CN(CC(=O)NC(C)C)C[C@H]1O 1195467819 VTLDNNGAIILUCJ-ZIAGYGMSSA-N 309.410 -0.134 30 20 DBED C=C[C@H](CC)CC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[nH]2)C[C@H]1O 1195554507 KJSIIRRJNFEFDY-IJLUTSLNSA-N 323.397 -0.628 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(CC#CCOC)C[C@H]1O 1196275922 GTCYWJCJYHBITO-TUVASFSCSA-N 308.378 -0.611 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)CNC(=O)C(CC)CC)C1 1199633660 KJUDZTDQMQJQRL-ZIAGYGMSSA-N 309.410 -0.277 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)CCCCCS(N)(=O)=O)C1 1199633949 NSZOFJOURTWFNH-VXGBXAGGSA-N 319.427 -0.817 30 20 DBED COCC#CCNC1CCN(C(=O)[C@@H]2CN(C)CCO2)CC1 1199943164 FPSLYROQHMOWQQ-HNNXBMFYSA-N 309.410 -0.453 30 20 DBED C[C@H](C#N)C(=O)N1CCCO[C@H](CNCC(=O)N2CCC2)C1 1200114579 GAQMLSGQBWNYKU-CHWSQXEVSA-N 308.382 -0.415 30 20 DBED CNC(=O)NC(=O)[C@@H](C)NCC1CCN(C(=O)[C@@H](C)C#N)CC1 1204811849 RJLUTJZWJZOXTA-WDEREUQCSA-N 323.397 -0.182 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)[C@H]2CCC(=O)N2)[C@H](C)C1 1206565366 PWOLQBJTDGTXKT-IJLUTSLNSA-N 308.382 -0.996 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC[C@@H](NCC(=O)NCC=C)C1 1208014661 SAQGURBYMZBXPV-ZIAGYGMSSA-N 307.394 -0.093 30 20 DBED COCC#CCN1C[C@@H](NC(=O)c2c[nH]c(=O)cn2)[C@H](C)C1 1208428420 UYESOBHRKSWOFU-DGCLKSJQSA-N 304.350 -0.530 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)Cc2ncc[nH]2)[C@H](C)C1 1209713637 PDMOLEOFPZSRKF-VXGBXAGGSA-N 305.382 -0.309 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)c2ccc(O)nc2)C1 1210920235 RZHYVQWOXMPNCD-CYBMUJFWSA-N 316.361 -0.269 30 20 DBED C=C(C)CCN[C@@H]1CCCN(C(=O)c2cn(CC(N)=O)nn2)C1 1211256664 LKZMZNDDWDVMTC-GFCCVEGCSA-N 320.397 -0.076 30 20 DBED C[C@@H]1CN(C(=O)c2cnn(C)c2)C[C@H]1NCC(=O)NCC#N 1214104576 FKDUYOGZEARTTI-ZYHUDNBSSA-N 304.354 -0.890 30 20 DBED COCC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)Cc1ncc[nH]1 1218838362 CEHHUDVAFDYLOB-UONOGXRCSA-N 318.377 -0.486 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2nnc(C)o2)C[C@@H]1O 1219605696 ZSPBWXABRHJPDA-JLLWLGSASA-N 308.338 -0.922 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)[C@H](C(C)C)N2CCCC2=O)C1 1221167289 HEBCDZFSWJMGOM-IPYPFGDCSA-N 309.410 -0.019 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCC#N 1226178774 ZPRNEOYQGUOFGO-ZIAGYGMSSA-N 320.393 -0.317 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCCC[C@H]1NC(=O)c1nc[nH]n1 1229202460 TYHQQDAPAIZQQA-QJPTWQEYSA-N 318.381 -0.427 30 20 DBED Cc1cc(CC(=O)N(C)C[C@H]2CCN2CC(=O)NCC#N)n[nH]1 1233675605 ZYUAOBMYBAXUFB-CYBMUJFWSA-N 318.381 -0.567 30 20 DBED CN(C[C@@H]1CCN1CC(=O)NCC#N)C(=O)Cc1cncnc1 1234019889 GGAMZXLMSNIZIV-ZDUSSCGKSA-N 316.365 -0.808 30 20 DBED CCN(C)C[C@H]1CCN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)C1 1261486048 PEURBJNCSMDACJ-CZUORRHYSA-N 322.409 -0.336 30 20 DBED C#CCN1CCN(C(=O)CN2CCCN(C(=O)OC)CC2)CC1 1319379525 JLXGZQARPFFUBI-UHFFFAOYSA-N 322.409 -0.462 30 20 DBED CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NO)c1 1320545774 YSIYYJHTXYCLGK-UHFFFAOYSA-N 301.324 -0.828 30 20 DBED N#CCN1CCC(NC(=O)N2CC[C@@H](S(N)(=O)=O)C2)CC1 1320835946 JTWUCSGXZPQUBC-LLVKDONJSA-N 315.399 -0.953 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@H](C)C(=O)N1CCS(=O)(=O)CC1 1325291706 SENRAHIDTMLUQY-MFKMUULPSA-N 318.395 -0.925 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CC[C@H](C(=O)OC)[C@@H]1C)[C@H]1CCCO1 1325474676 LVXLZCBHBYEJPH-ZDEQEGDKSA-N 322.361 -0.307 30 20 DBED Cc1nc2n(n1)C[C@H](NC(=O)C(=O)N[C@@H]1CC[C@H](C#N)C1)CC2 1325962949 GMWJKHDBKVOQFA-QJPTWQEYSA-N 316.365 -0.174 30 20 DBED N#C[C@@]1(F)CCN(C(=O)C(=O)N2CCC[C@H](n3ccnn3)C2)C1 1326202550 XFWFLWHOKPUYPV-FZMZJTMJSA-N 320.328 -0.094 30 20 DBED CN(CC(C)(C)N)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1327457473 NWCMEZVFROPMNA-VAWYXSNFSA-N 309.370 -0.109 30 20 DBED C=CCOCCNC(=O)C(=O)N[C@H](COC)[C@@H]1CCCO1 1328145660 HLNZUQSRKYYHOX-NEPJUHHUSA-N 300.355 -0.385 30 20 DBED COC[C@@H](NC(=O)C(=O)N1CC[C@](O)(CC#N)C1)c1ccco1 1328286209 MSHXLLIXJJVFSU-IAQYHMDHSA-N 321.333 -0.040 30 20 DBED C#CCNC(=O)C1CCN(C(=O)[C@@H](C)[C@@H]2CCC(=O)N2)CC1 1331692836 AZSKPDZSRMBOJD-AAEUAGOBSA-N 305.378 -0.111 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H](CN)C2)CCN1C1CC1 1332117620 XDMRCAZHYYNYCX-JSGCOSHPSA-N 319.409 -0.618 30 20 DBED C=CCC1(O)CCN(C(=O)C(=O)NCc2ccn(C)n2)CC1 1333779705 RJMPELCSVZLGMX-UHFFFAOYSA-N 306.366 -0.034 30 20 DBED C=CCSCCn1nnnc1N1CC[C@@H]2OCC(=O)N[C@H]2C1 1333990248 LUJHZDUJKUTIRI-QWRGUYRKSA-N 324.410 -0.314 30 20 DBED COCC(=O)N1CCN(C(=O)C(=O)N2CCC[C@@H](C#N)C2)CC1 1335473067 GFEXFWMAKNKUDH-LBPRGKRZSA-N 322.365 -0.934 30 20 DBED C=CCn1c(C[C@H](C)O)nnc1N1CCN2C(=O)NC[C@H]2C1 1338821619 JSYRBPLJDCXLOQ-QWRGUYRKSA-N 306.370 -0.399 30 20 DBED C#CCNCC(=O)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1340240878 MNMVCPPDRXSWAF-AWEZNQCLSA-N 306.410 -0.636 30 20 DBED C=CCN(C)C(=O)C(=O)NC1CCN(S(C)(=O)=O)CC1 1340564575 UPIVEYAATPGUDD-UHFFFAOYSA-N 303.384 -0.829 30 20 DBED CS(=O)(=O)CCCNC(=O)C(=O)NCc1ccc(C#N)cc1 1340775303 BXGODLRDMMZUOL-UHFFFAOYSA-N 323.374 -0.275 30 20 DBED C#CCSCCNC(=O)C(=O)N(C)[C@H](C)CS(C)(=O)=O 1346609968 HOAWRFFSRKWQOQ-SNVBAGLBSA-N 320.436 -0.640 30 20 DBED C#CCSCCNC(=O)C(=O)N1CCn2nc(C)nc2C1 1346611029 USRSHTMEPQXBKL-UHFFFAOYSA-N 307.379 -0.589 30 20 DBED CN1CCN(C(=O)C(=O)NCc2ccc(C#N)cc2)CC1=O 1349686101 FCZXGVWUUYMPOX-UHFFFAOYSA-N 300.318 -0.525 30 20 DBED N#C[C@]1(F)CCN(C(=O)C(=O)N2CC[C@H](N3CCOC3=O)C2)C1 1350238337 DNWCAVIIKILUFZ-IINYFYTJSA-N 324.312 -0.496 30 20 DBED C[C@H]1CN(C(=O)CN(CCNC(=O)[C@H](C)C#N)C2CC2)CCO1 1366736707 CCMVNURSMWNJQA-OLZOCXBDSA-N 322.409 -0.026 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CCN(C(=O)c2ccc(=O)n(C)n2)C1 1385351785 SIPJIWCESDCDLD-VHSXEESVSA-N 303.322 -0.729 30 20 DBED CCN(CCNC(=O)c1cc(C#N)c[nH]1)C(=O)CNC(=O)OC 1387178926 QQDARUWWHYEVKE-UHFFFAOYSA-N 321.337 -0.179 30 20 DBED C[C@@H](CNC(=O)Cn1cnnn1)N(C)C(=O)c1ccc(C#N)[nH]1 1395035813 IBLIOBJHLPQNAR-VIFPVBQESA-N 316.325 -0.850 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CCN(C(=O)c2nc3ncccn3n2)C1 1396943440 MWDFDGDWYKMUSH-NXEZZACHSA-N 313.321 -0.385 30 20 DBED CC(C)(C)OC(=O)N1CCN(C(=O)Cn2ncnn2)[C@@H](C#N)C1 1411981088 QJGDENXCNLAPMN-JTQLQIEISA-N 321.341 -0.355 30 20 DBED COC[C@@H](OC)C(=O)NCCN(C)C(=O)c1cc(C#N)c[nH]1 1415609131 VZEWXYCNXWTDAZ-GFCCVEGCSA-N 308.338 -0.264 30 20 DBED CN(C)C(=O)Cn1cc(C(=O)Nc2nn(C)cc2C#N)nn1 1416152480 SGTXLZBWNUCCLV-UHFFFAOYSA-N 302.298 -0.776 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1cccc2c[nH]nc12 1416779311 RFRNGDSDLTWZNH-MWLCHTKSSA-N 315.333 -0.071 30 20 DBED Cc1onc(CC(=O)NC[C@@]2(O)CCS(=O)(=O)C2)c1C#N 1417868825 RGDYMBPEUDVEHR-LBPRGKRZSA-N 313.335 -0.937 30 20 DBED C[C@H](NC[C@@H](O)CNC(=O)c1cc(C#N)c[nH]1)C(=O)NC1CC1 1420118845 VHQFSGNNGRUKDY-JOYOIKCWSA-N 319.365 -0.766 30 20 DBED C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)N(C)C(=O)[C@H]1COC(=O)N1 1424099310 LAGHCVLBRYJISS-GZMMTYOYSA-N 319.321 -0.429 30 20 DBED N#Cc1cc(C(=O)NC[C@@H](O)CNC(=O)c2cncs2)c[nH]1 1433259742 WMNDNNSLWMLZRV-SNVBAGLBSA-N 319.346 -0.136 30 20 DBED C=C(Cl)CNC[C@@H](O)CNC(=O)c1nccnc1C(N)=O 1439047976 SWCJXODPBOCJMC-MRVPVSSYSA-N 313.745 -0.992 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(CCNC(=O)C[C@@H]2CCOC2)CC1 1446915672 SHYSCMXNHDEQJK-KBPBESRZSA-N 322.409 -0.167 30 20 DBED CCS(=O)(=O)CC(=O)NC1CCN(C(=O)[C@H](C)C#N)CC1 1453781328 RGSGPLSPSFWVJQ-SNVBAGLBSA-N 315.395 -0.312 30 20 DBED CCO[C@H]1C[C@@H](NC(=O)CCn2cc(C#N)c(O)nc2=O)C1 1468842605 WRHQDBIWHSUBAR-PHIMTYICSA-N 306.322 -0.106 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C(=O)c1ccc(=O)n(C)n1)C1CC1 1529853250 JDDADDIESBDJRR-JTQLQIEISA-N 317.349 -0.339 30 20 DBED C[C@H](C#N)C(=O)NC[C@@]1(C)CCN(C(=O)CN2CCOCC2)C1 1536993301 XKEYCIMWSRULFO-CZUORRHYSA-N 322.409 -0.167 30 20 DBED N#Cc1cncc(CNS(=O)(=O)N2CCC[C@@H]2C(=O)O)c1 1574249548 XHQYYCAMSUMUIK-LLVKDONJSA-N 310.335 -0.163 30 20 DBED COCC#CCNC[C@@H](C)N(C)C(=O)[C@@H](C)OCc1cnn[nH]1 1576954674 YMLLZDAQZDHEML-CHWSQXEVSA-N 323.397 -0.204 30 20 DBED N#Cc1ncc(NCCN2CCCOCC2)nc1-c1nn[nH]n1 1581884229 QICJROKGKCFFQR-UHFFFAOYSA-N 315.341 -0.337 30 20 DBED C#C[C@H]1COCCN1C(=O)C(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)O)C1 1588383487 BDEARQNIIXJKBK-LMCGPQHNSA-N 306.318 -0.784 30 20 DBED C[C@@H]1C[C@@H](C(=O)O)CN(C(=O)C(=O)N2CCO[C@@H](C#N)C2)C1 1589266352 RKVCDSXMLJSHAW-MXWKQRLJSA-N 309.322 -0.693 30 20 DBED CS(C)(=O)=NCCNc1cnc(-c2nn[nH]n2)c(C#N)n1 1591685546 VGCWUNRERXVHKJ-UHFFFAOYSA-N 307.343 -0.332 30 20 DBED Cc1c(C#N)cccc1NC(=O)C(=O)NC[C@@](C)(O)C(=O)O 1594252894 IUJGYEYBLLFZJI-CQSZACIVSA-N 305.290 -0.243 30 20 DBED N#Cc1cc(C(=O)N2CCN([C@@]3(C(=O)O)CCOC3)CC2)c[nH]1 1601084951 QGKYEOYQHVDLBZ-HNNXBMFYSA-N 318.333 -0.112 30 20 DBED N#Cc1ncn(CC(=O)N[C@H](Cc2ccncc2)C(=O)O)n1 1601135367 SBFRJMHPEHPWLC-SNVBAGLBSA-N 300.278 -0.643 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H](C)CN=c1cc[nH]c(C(=O)O)n1 1602813265 UUUAUANOQZAMNQ-LKFCYVNXSA-N 308.338 -0.160 30 20 DBED N#C[C@H]1CN(S(=O)(=O)N[C@H]2C[C@@H](C(=O)O)[C@@H]3C[C@H]23)CCO1 1608179800 OWZAJCWRDFQVCQ-HWUMTFDVSA-N 315.351 -0.846 30 20 DBED N#Cc1nccc(N2CCN(C(=O)[C@@H]3C[C@H]3C(=O)O)CC2)n1 1608225371 MZGOHUNQDNKRAG-NXEZZACHSA-N 301.306 -0.282 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)C(=O)N2CCC[C@@H]2CC(=O)O)C1 1610620904 QMNXLFKMKRHJKP-QMTHXVAHSA-N 309.322 -0.671 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@H]1CCCN1C(=O)Cn1cccn1 1714332179 CNMKPJMMMDOADR-UONOGXRCSA-N 317.393 -0.398 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@H]1C[C@H](NC(=O)c2n[nH]c(C)c2O)C1 1752626870 XZSHTPMAEQQAKJ-GMTAPVOTSA-N 321.381 -0.035 30 20 DBED COCC#CCN[C@H]1C[C@@H](NC(=O)c2cccn(C)c2=O)C1 1752772916 PPKFUHGZZDYBKZ-BETUJISGSA-N 303.362 -0.115 30 20 DBED C#CCCN(C)[C@@H]1CCCN(C(=O)Cn2ncn(C)c2=O)C1 1752993546 IXHJMBZCFMECIT-CYBMUJFWSA-N 305.382 -0.472 30 20 DBED C=CCNC(=O)[C@H](C)N(C)CCNC(=O)[C@@]1(F)CCOC1 1753061536 JXZLNTFYKFHSFS-SMDDNHRTSA-N 301.362 -0.146 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@H](CNC(=O)c2nc(C)c[nH]2)C1 1753135353 KIBYNAAPHVBDOQ-QWHCGFSZSA-N 317.393 -0.092 30 20 DBED CN(C(=O)c1csc(O)n1)[C@@H]1CCN(CC(=O)NCC#N)C1 1753441516 KWTIWGVBQRBYPY-SECBINFHSA-N 323.378 -0.365 30 20 DBED CCC[C@@H](C(=O)N(C)[C@@H]1CCN(CC#N)C1)S(N)(=O)=O 1753443595 ZTGSLSHGHJHQFZ-MNOVXSKESA-N 302.400 -0.500 30 20 DBED C#CCNC(=O)CNCC[C@@H]1CCCN(C(=O)[C@@H]2CCOC2)C1 1753542353 HGYFCHJJAQKXHT-LSDHHAIUSA-N 321.421 -0.009 30 20 DBED CCCNC(=O)NC(=O)CNC[C@H](C)CNC(=O)C#CC1CC1 1753612271 BWUFQTPJWVKGTD-LBPRGKRZSA-N 322.409 -0.023 30 20 DBED C=CCCCN1CCO[C@H](CNC(=O)C[C@@H]2CC(=O)NC2=O)C1 1753657869 ITNPMJDWEGWEMA-CHWSQXEVSA-N 323.393 -0.178 30 20 DBED C=CCCNC[C@H](C)N(C)C(=O)CN1C(=O)C(=O)N(C)C1=O 1753726615 MYMXDLXZXITANP-JTQLQIEISA-N 310.354 -0.580 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H](CNCc1nnn(C)n1)C1CC1 1754438809 GQGTXRZPODTKMA-CMPLNLGQSA-N 306.370 -0.767 30 20 DBED C#CCNC(=O)[C@H](C)NC1(CNC(=O)C2CCC(O)CC2)CC1 1754513344 PKVXOLUUUQFGTK-HSBZDZAISA-N 321.421 -0.086 30 20 DBED N#CCNC(=O)CNC[C@@H]1CCCN1C(=O)C12CCN(CC1)C2 1754619814 GLIGKZJLXQTOAJ-ZDUSSCGKSA-N 319.409 -0.697 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@](O)(CNC(=O)CC2(C)CC2)C1 1754756133 HREQMPNZKPPZAU-GUYCJALGSA-N 321.421 -0.133 30 20 DBED C#CCN1CC(O)(CNC(=O)c2cc3c(nc2O)CCOC3)C1 1754777963 INLFLYWUDDIPRT-UHFFFAOYSA-N 317.345 -0.730 30 20 DBED N#CCNC(=O)CN1CC2(C[C@@H](NC(=O)[C@H]3CC34CC4)CO2)C1 1755064393 SQJBRFRENGSBFT-VXGBXAGGSA-N 318.377 -0.614 30 20 DBED C=C[C@](C)(O)CC(=O)NC1CC(CNCC(=O)NCC#N)C1 1755210454 PYOGRDXJEARJLS-QOZQQMKHSA-N 308.382 -0.562 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NC1(CCO)CN(CC#N)C1 1755336834 JETZQXYHAHWGSN-ZDUSSCGKSA-N 308.382 -0.466 30 20 DBED C=CCOCC(=O)N1CCC[C@@H]([C@@H]2CCN(C(=O)C(N)=O)C2)C1 1755925390 UGMCHRRVZNSGLZ-CHWSQXEVSA-N 323.393 -0.239 30 20 DBED C=CCn1cc(C(=O)NC[C@@H](O)CN(C)C(=O)C(F)F)nn1 1756651967 PKLKVWRPTPFRMF-MRVPVSSYSA-N 317.296 -0.722 30 20 DBED C[C@H](NC(N)=O)C(=O)N1CC2(CCN(C(=O)C#CC3CC3)C2)C1 1756831223 NVNAMGISWMSKCL-NSHDSACASA-N 318.377 -0.483 30 20 DBED C#CCCCC(=O)N1CCC2(C1)CN(C(=O)[C@H]1C[C@H]1C(N)=O)C2 1756836198 FPCOCGXILZUIQG-OLZOCXBDSA-N 317.389 -0.028 30 20 DBED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)C(F)F)CCO2 1783561165 IMPPTOWTRNJTPJ-CYBMUJFWSA-N 316.260 -0.831 30 20 DBED C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(C)C(=O)CC1 1794040994 RWTPDHMLGCYLLH-ZSBIGDGJSA-N 316.361 -0.134 30 20 DBED C[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncc[nH]1 1794502532 YEQOLHACFOMWSE-CHWFTXMASA-N 324.406 -0.069 30 20 DBED COCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC#N)C2 1795348084 CNHBMPCDRYVZAL-JJLQDPRZSA-N 309.366 -0.084 30 20 DBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn[nH]c3)C2)C1 1839808382 PKDNRWOYFGQNGY-HNNXBMFYSA-N 318.333 -0.887 30 20 DBED C=CCC(=O)N1CC2(CCCN2C(=O)CN2CC(=O)NC2=O)C1 1841892648 DLLNVYWAUFGYQG-UHFFFAOYSA-N 320.349 -0.682 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)Cn2cc(C)cn2)CC1 55078555 QAQWJUMOIBVIDD-UHFFFAOYSA-N 305.382 -0.362 30 20 DBED C[C@@H](C(=O)N(C)CCC#N)N1CCC(CS(N)(=O)=O)CC1 89991826 NMKTWOKFILZUQI-NSHDSACASA-N 316.427 -0.253 30 20 DBED CN(CC#N)CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 103472685 OKJNTWNZZNVHLV-UHFFFAOYSA-N 324.406 -0.162 30 20 DBED C=CCN1CCC(NC(=O)Cn2cc(C(=O)OC)nn2)CC1 266966081 ACWITRWRXYMFIU-UHFFFAOYSA-N 307.354 -0.169 30 20 DBED C=CCCS(=O)(=O)N1CC[C@H](N2C[C@@H](C(=O)O)CC2=O)C1 275125445 OOTZSIJGAJHVQT-QWRGUYRKSA-N 316.379 -0.100 30 20 DBED CCNC(=O)NC1(C(=O)NCCn2cnc(C#N)n2)CCCC1 286795276 KCEVENXTYKUPQQ-UHFFFAOYSA-N 319.369 -0.102 30 20 DBED C#CCN1CCC(C(=O)N2CCNC(=O)[C@@H]2CC(=O)OC)CC1 299285611 AWTQOPCMAWZPFZ-ZDUSSCGKSA-N 321.377 -0.778 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCCN2CCCCC2)C1=O 299605330 YDLOZAFIOBWCQD-UHFFFAOYSA-N 322.365 -0.435 30 20 DBED C[C@@H]1CN(/C(O)=N/CC(=O)N2CCCC2)CCS1(=O)=O 329464524 URCYYSZJJXGERP-SNVBAGLBSA-N 303.384 -0.358 30 20 DBED C[C@H](C/N=C(/O)CN1CCN(C)C(=O)C1)N1CCN(C)CC1 329542759 DZQIKKPFDUYOOP-CYBMUJFWSA-N 311.430 -0.647 30 20 DBED C[C@H](N/C(O)=N/CCN1C(=O)CN=C1O)C1=CCN(C)CC1 329715925 VRYCWQCMPKGJTA-JTQLQIEISA-N 309.370 -0.103 30 20 DBED O=C1C[C@H](/N=C(/O)N2CCN3C(O)=NC[C@H]3C2)CN1C1CC1 329793415 BAQUDWOORCUSJQ-ONGXEEELSA-N 307.354 -0.423 30 20 DBED Cc1cc(N2CC[C@H](/N=C(/O)N[C@@H]3[C@H]4COC[C@H]43)C2=O)n(C)n1 329982253 AABUIOWHYDGKLH-SRRSOLGSSA-N 319.365 -0.018 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N1CC(=O)N(CCOC)C1 330418571 PQODTMUEUQKHAA-LLVKDONJSA-N 318.399 -0.539 30 20 DBED CCCCS(=O)(=O)NCC(=O)NC1(C#N)CCOCC1 330531578 MVILDOIHFHHMBK-UHFFFAOYSA-N 303.384 -0.105 30 20 DBED COC(=O)CN(CC#N)C(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 331427040 QZPBSOOSYCKJSR-NOZJJQNGSA-N 311.363 -0.034 30 20 DBED CCOC(=O)C[C@@H](C)CNS(=O)(=O)N1CCO[C@@H](C#N)C1 336887753 HEDNUFJAIXOJNL-MNOVXSKESA-N 319.383 -0.366 30 20 DBED CCOCCOC1CN(S(=O)(=O)N2CCO[C@H](C#N)C2)C1 336897704 UFEDRIAIZQDAPM-LLVKDONJSA-N 319.383 -0.807 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H](C(=O)OC)[C@@H](C)O 336930664 BCSJTKXBSKMJHB-BBBLOLIVSA-N 307.372 -0.775 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@H]1CCCS1(=O)=O 336938309 HMSJXCISIGUHKA-WDEREUQCSA-N 323.440 -0.120 30 20 DBED C[C@@H]1N(S(=O)(=O)N2CCO[C@H](C#N)C2)CCOC1(C)C 336943234 LCIVFKNBMOWANJ-WDEREUQCSA-N 303.384 -0.045 30 20 DBED CC[C@]1(O)CCN(S(=O)(=O)N(CCC#N)CCOC)C1 337130195 BRHGIRWRPMTVNP-LBPRGKRZSA-N 305.400 -0.060 30 20 DBED N#C[C@H]1CN(C(=O)NCCNC(=O)c2cnccn2)CCO1 358333403 WZFBFJGKYWOQSH-JTQLQIEISA-N 304.310 -0.860 30 20 DBED COC(=O)[C@@H]1C[C@H](O)CN1CC(=O)NCc1cccc(C#N)c1 376997746 PKYWIJHUHKJMGA-KBPBESRZSA-N 317.345 -0.217 30 20 DBED CNS(=O)(=O)[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2C#N)C1 378238041 SCVTYMWZLCHBRY-SNVBAGLBSA-N 311.323 -0.011 30 20 DBED C[C@H](C#N)CN(C)C(=O)C(=O)N1CCN(CC(C)(C)O)[C@@H](C)C1 410847476 LGDODTJJNLXCFP-OLZOCXBDSA-N 324.425 -0.092 30 20 DBED C=C(C)CCNC(=O)N1CC(S(=O)(=O)N2CCNCC2)C1 418241566 KDTBTERPDAEOOU-UHFFFAOYSA-N 316.427 -0.419 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N[C@@H](CN)C2CCCCC2)CCO1 419969001 RBHQGZCIAHHOSZ-OLZOCXBDSA-N 308.382 -0.239 30 20 DBED C=CCCO[C@@H](C)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)O)C1 424238993 JEMJLPPWNRBGIZ-VHSXEESVSA-N 305.352 -0.322 30 20 DBED C#CCN1CCN(C(=O)CN2CCN(C(C)=O)CC2(C)C)CC1 490914888 JWVVIRQJGSGGAL-UHFFFAOYSA-N 320.437 -0.294 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]c(C#N)n1)c1ccnc(C#N)n1 515433031 PLZYPQDJQFPVEP-JTQLQIEISA-N 310.321 -0.659 30 20 DBED O=C1c2ccccc2C(=O)N1CC#CCN1CCOC[C@H]1CO 528475583 KVIXECNFTZABLZ-CYBMUJFWSA-N 314.341 -0.021 30 20 DBED COC(=O)C[C@H](NS(=O)(=O)N(C)[C@H](C)CC#N)C(=O)O 565779899 YXZVAPKHYWAASW-SFYZADRCSA-N 307.328 -0.929 30 20 DBED Cc1cc(C(=O)NCC#CCO)cc(C(=O)NCC#CCO)c1 574890195 RNNGEOYDHPKRRF-UHFFFAOYSA-N 314.341 -0.554 30 20 DBED CC[C@H](CNS(C)(=O)=O)NC(=O)N1CC[C@](F)(C#N)C1 590944185 RGHKBBHVQXFDEE-KOLCDFICSA-N 306.363 -0.039 30 20 DBED COCCN(CCC#N)S(=O)(=O)N(CC(=O)O)CC1CC1 593222208 NRYBJTQIWNKOEN-UHFFFAOYSA-N 319.383 -0.110 30 20 DBED CC(C)[C@H](CNS(=O)(=O)N1CCO[C@H](C#N)C1)C(=O)O 593945665 VYKQAHGSVSKMPX-ZJUUUORDSA-N 305.356 -0.598 30 20 DBED N#Cc1ccc(NCCCCN2CCN(CCO)CC2)nc1N 594555390 CYESRPFEEMVGLD-UHFFFAOYSA-N 318.425 0.337 30 20 DBED C[C@@H](C#N)N(C(=O)CCn1cc(S(N)(=O)=O)cn1)C1CC1 598128978 DUAUYSATWRSWDE-VIFPVBQESA-N 311.367 -0.176 30 20 DBED COC(=O)CN(CC#N)C(=O)[C@H]1CCCN(S(C)(=O)=O)C1 599538239 WJNUCSGCBXJMSX-JTQLQIEISA-N 317.367 -0.817 30 20 DBED C[C@@H](NC(=O)C(=O)N1CCN(CCC#N)CC1)C1CCOCC1 602251965 OHDNLTUKIAOBNI-CYBMUJFWSA-N 322.409 -0.024 30 20 DBED COCCNCCc1cn([C@@H](C)C(=O)N(C)CCC#N)nn1 603190585 VZKUROMZJOXLHK-LBPRGKRZSA-N 308.386 -0.010 30 20 DBED C[C@H](C(=O)NC1(C#N)CCC1)n1cc(CN2CCNCC2)nn1 603238937 BUZATCMXPIVVML-GFCCVEGCSA-N 317.397 -0.193 30 20 DBED CS(=O)(=O)N1CCN(CCNc2ncccc2C#N)CC1 604429075 AYHXIAMRNFFGBR-UHFFFAOYSA-N 309.395 -0.058 30 20 DBED COC(=O)CNC(=O)[C@@H](C)N1CCN([C@H](C#N)C(C)C)CC1 609537534 AJRZKWKJKOSQRT-CHWSQXEVSA-N 310.398 -0.170 30 20 DBED N#Cc1ncn(CC(=O)N2CCc3ccccc3[C@H]2C(N)=O)n1 610884179 YOKWZALDYUAPHX-AWEZNQCLSA-N 310.317 -0.239 30 20 DBED C=CCn1cc(CNC(=O)[C@@H](C)NS(=O)(=O)CC)nn1 616410468 GWAKHDXPVBGJTR-SECBINFHSA-N 301.372 -0.592 30 20 DBED N#C[C@H]1CN(S(=O)(=O)NCCOC[C@H]2CCOC2)CCO1 619709591 GNSOXXPAXZKTLO-RYUDHWBXSA-N 319.383 -0.902 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@@H]1CCN(C)C(=O)C1 619714324 SYDZBAQNTMGCDM-LLVKDONJSA-N 318.399 -0.696 30 20 DBED C=C[C@@H](C(=O)OC)N1CCN([C@H](C=C)C(=O)OC)C[C@H](O)C1 619719792 FAOPMVJVAIJHDN-CLLJXQQHSA-N 312.366 -0.580 30 20 DBED C=CCN1CC[C@@H](N(C)S(=O)(=O)C[C@@H](COC)OC)C1=O 641475212 DZODSTPJMHRAPB-VXGBXAGGSA-N 320.411 -0.304 30 20 DBED C=CCn1cc(C(=O)N2CCN(c3nc(=N)[nH]s3)CC2)nn1 648818716 HUBYXOVVZCPBDL-UHFFFAOYSA-N 320.382 -0.309 30 20 DBED CC#CC[C@@H](CO)NC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 649193625 JUDYSMXYWIRZCA-ZCRGAIPPSA-N 316.357 -0.316 30 20 DBED C=C(C)CN1CCC(NC(=O)[C@H]2CCS(=O)(=O)N2)CC1 651273142 COEOMOPNPWJRCY-GFCCVEGCSA-N 301.412 -0.165 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(CC)c2cnn(C)c2)C1=O 655330812 HVLAGARNFUFVMD-UHFFFAOYSA-N 319.321 -0.250 30 20 DBED C=CC[C@@H](CO)CNC(=O)CNS(=O)(=O)c1cccnc1 685813552 DGBYLPNWUJBUJB-LLVKDONJSA-N 313.379 -0.339 30 20 DBED N#CCn1cc(NC(=O)C(=O)NCCN2CCCCC2)cn1 746354126 QVUQQEDJJQHYFC-UHFFFAOYSA-N 304.354 -0.053 30 20 DBED C#CCCN1CCN(S(=O)(=O)N(C)CCC(=O)OC)CC1 749286185 XPLYQSNCWMAQQP-UHFFFAOYSA-N 317.411 -0.633 30 20 DBED Cn1cnc(CNC(=O)NCCNc2ncccc2C#N)n1 768770295 PJRRWNBBYOOIRU-UHFFFAOYSA-N 300.326 -0.007 30 20 DBED C#C[C@H](NC(=O)NC[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCCO1 773166844 XRBXEOBWLSQGOM-SRVKXCTJSA-N 300.380 -0.099 30 20 DBED C=CC[C@@H](CO)CNS(=O)(=O)N1CCC2(CC1)OCCO2 774790468 VISFMMBJNAUUPB-GFCCVEGCSA-N 320.411 -0.156 30 20 DBED C#C[C@H](NC(=O)N(C)[C@H]1CCS(=O)(=O)C1)[C@H]1CCCO1 776224491 LCESBRUVRNWUAY-SDDRHHMPSA-N 300.380 -0.004 30 20 DBED COCCNC(=O)[C@H](C#N)C(=O)c1cn(CCOC)nc1C 782581499 MSMWOKRSAMYACC-LLVKDONJSA-N 308.338 -0.077 30 20 DBED C#CCC[C@@H](O)CNS(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] 798486954 YINHXSDHZGFMIW-SECBINFHSA-N 316.339 -0.136 30 20 DBED C#CCCCNC(=O)C(=O)N1CCN(c2ncc(F)cn2)CC1 806917881 QEKHPKJOAQVGNE-UHFFFAOYSA-N 319.340 -0.206 30 20 DBED Cc1ccccc1-n1cc(C=NNC(=S)NCC(N)=O)nn1 807972867 RIYOYZNRHLMMGT-UHFFFAOYSA-N 317.378 -0.141 30 20 DBED CON(C)C(=O)CNC(=O)NCCNc1ncccc1C#N 817794608 KWBTXODCVMVKEB-UHFFFAOYSA-N 306.326 -0.316 30 20 DBED C[C@H](CNC(=O)[C@@](C)(C#N)CC(=O)O)CN1CCN(C)CC1 820095479 FGPXNCNUXUQPAL-IUODEOHRSA-N 310.398 -0.009 30 20 DBED NS(=O)(=O)c1cc(C(=O)N[C@H]2CCCN(O)C2=O)cs1 820476104 HQHYJFIZBVOZDL-ZETCQYMHSA-N 319.364 -0.495 30 20 DBED C[C@@H]1CN(C(=O)Cn2cnc(C#N)c2-c2nn[nH]n2)C[C@@H](C)O1 824968094 PCRBOTDGOQQMFM-RKDXNWHRSA-N 316.325 -0.429 30 20 DBED Cc1cc(NC(=O)CSCC(=O)N[C@@H]2CNC[C@H]2C#N)no1 834506836 WKSXQPRIGRJVJY-NXEZZACHSA-N 323.378 -0.118 30 20 DBED C#Cc1cccc(CNC(=O)C(=O)N2CCCO[C@@H](CN)C2)c1 842033311 RFBIYXUMOUIJIG-HNNXBMFYSA-N 315.373 -0.140 30 20 DBED Cc1c(C(=O)N[C@@H]2CCCN(O)C2=O)nnn1-c1ccn(C)n1 848131397 FHVJDTYSGBBTPJ-SECBINFHSA-N 319.325 -0.581 30 20 DBED CC(C)[C@@H](NS(C)(=O)=O)C(=O)N[C@H]1CCCN(O)C1=O 848135797 QOVQCRDQASDOKM-DTWKUNHWSA-N 307.372 -0.943 30 20 DBED C#C[C@@H](CC)NC(=O)N1CCN(CC(=O)NCCOC)CC1 854072354 CJJHCIRUCMEXCR-ZDUSSCGKSA-N 310.398 -0.512 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(S(=O)(=O)N=S(C)(C)=O)CC1 854832353 UVLNXCMIOZUIOU-VIFPVBQESA-N 322.412 -0.737 30 20 DBED COC[C@H](O)C(=O)OCC#CCN1C(=O)c2ccccc2C1=O 859615829 LXNWXBHNKPTSNV-ZDUSSCGKSA-N 317.297 -0.164 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@H](C(=O)OC)CC[C@H]1C(=O)OC 862824371 MHLHELRYLAKXCU-UTUOFQBUSA-N 311.334 -0.022 30 20 DBED C#CCSCC(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)OCC 890277087 GTKHNGZCTDJUDB-VHSXEESVSA-N 300.380 -0.075 30 20 DBED C#CCN1CCC[C@H](NC(=O)[C@@H](NC(=O)C2CC2)[C@H](C)O)C1 923562613 AXRDIZSCSKVUBT-UBHSHLNASA-N 307.394 -0.524 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](NC(=O)c2cn(C)c(=O)cn2)C1 942055024 BQCDHIKMSDHAKY-NXEZZACHSA-N 303.322 -0.729 30 20 DBED N#Cc1ccc(C(=O)NC[C@H]2CCN2C(=O)C2(C(N)=O)CC2)[nH]1 949452969 VCRBBTAZRGXTII-SNVBAGLBSA-N 315.333 -0.517 30 20 DBED C=C(C)CN1CCN(C(=O)C2CC3(C2)NC(=O)NC3=O)CC1 951707142 UAKMZFAFQWIMNY-UHFFFAOYSA-N 306.366 -0.305 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(C)(NC(=O)c2nnn(C)n2)CC1 956453704 RMIDCCAHJAZNKI-VIFPVBQESA-N 305.342 -0.519 30 20 DBED C#CCN1C[C@H](CNC(=O)c2ccnc3[nH]c(C)nc23)[C@@H](O)C1 958271852 JFFFTWIKNKUABK-AAEUAGOBSA-N 313.361 -0.078 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2ccnc3c2ncn3C)C1 958400656 XYVZLMRBABCFKH-WCQYABFASA-N 313.361 -0.376 30 20 DBED N#CCN1C[C@H](O)[C@H](CNC(=O)c2cnc(C3CC3)nc2O)C1 958467947 PLBIFTDGGWERLU-PWSUYJOCSA-N 317.349 -0.394 30 20 DBED C=CCN1C[C@H](CNC(=O)c2ccc(C(=O)NC)nc2)[C@@H](O)C1 958597326 CSGIOMPZWFOAEM-JSGCOSHPSA-N 318.377 -0.350 30 20 DBED C=CCN1CC[C@@H](N2C[C@H]3[C@H](NC(=O)c4ncc[nH]4)[C@H]3C2)C1=O 958808898 QDTXJOIJTVDZEQ-XQHKEYJVSA-N 315.377 -0.143 30 20 DBED C#CCN1C[C@H]2C(NC(=O)c3ccc(S(N)(=O)=O)o3)[C@@H]2C1 960776253 QPGRNHGHEHWGNU-RKDXNWHRSA-N 309.347 -0.780 30 20 DBED CC#CCN1C[C@H]2C(NC(=O)Cn3ccc(O)nc3=O)[C@@H]2C1 960849736 CNQNIXMNBLZUTB-GHMZBOCLSA-N 302.334 -0.981 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)[C@H]3CCC(=O)NC3)C[C@@H]2C1 961898223 AHTQIUCFTQLWGJ-XQHKEYJVSA-N 318.377 -0.411 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)c1cn(C)c(O)n1 964335730 NNNRSSYMKDBUQV-ZJUUUORDSA-N 321.337 -0.757 30 20 DBED C[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1NC(=O)CN1CCOCC1 966402524 SVACNPNGEHWRIL-ZFWWWQNUSA-N 319.405 -0.305 30 20 DBED CC(C)[C@@H](O)C(=O)N1CCN(C2CN(C(=O)[C@@H](C)C#N)C2)CC1 967213881 ZJCFBRIVMXGOIG-GXTWGEPZSA-N 322.409 -0.482 30 20 DBED C#Cc1ccc(C(=O)N[C@H](C)C2CN(CC(=O)NC)C2)cn1 970767960 ZTKWMOIQDXTHLW-LLVKDONJSA-N 300.362 -0.141 30 20 DBED C#CCN1C[C@H]2CC[C@H]1CN2C(=O)CN1CC(=O)N(C)C1=O 972009901 HORSVEDICUWGOR-NWDGAFQWSA-N 304.350 -0.811 30 20 DBED CC#CCN1C[C@H]2CC[C@H]1CN2C(=O)CC[C@H]1NC(=O)NC1=O 972090879 BXPFJPZVIDDGCY-YNEHKIRRSA-N 318.377 -0.327 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CCC(=O)N2)C1 973101455 LIOCKKFNVGYVRI-VEGXAWMVSA-N 321.377 -0.381 30 20 DBED C[C@H](C(=O)N[C@H]1CN(CC#N)CC1(C)C)N1C(=O)CCC1=O 974630201 CINQNTQVSZKNBT-MNOVXSKESA-N 306.366 -0.126 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)C(N)=O)nn1 976686638 DKDWTFLEFYKORN-NXEZZACHSA-N 320.353 -0.893 30 20 DBED C[C@@H](C#N)C(=O)N1CCCN(CCN2C(=O)CCC2=O)CC1 980838104 GERSJLQSVSSBAR-LBPRGKRZSA-N 306.366 -0.171 30 20 DBED C#CCN[C@H]1CCC[C@H](NC(=O)CN2CCCS2(=O)=O)C1 981125080 QBPJXAKWZDBAQA-STQMWFEESA-N 313.423 -0.328 30 20 DBED C#CCN[C@H]1C[C@H](C)N(C(=O)Cn2nc3n(c2=O)CCCC3)C1 989650026 KDLMWXPPNRGANP-STQMWFEESA-N 317.393 -0.407 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC(NC(=O)[C@]3(F)CCOC3)C2)c1 998134413 IJUNJPXWTDGWRW-AWEZNQCLSA-N 306.297 -0.044 30 20 DBED C=C(Cl)CNC1CC(N(C)C(=O)CN2CC(=O)NC2=O)C1 999568746 KZCLOPYPXLLOKC-UHFFFAOYSA-N 314.773 -0.130 30 20 DBED C#CCN1CCC(CNC(=O)c2cn(C)c(=O)nc2O)CC1 1002114679 JPNULJZQTGUVHQ-UHFFFAOYSA-N 304.350 -0.439 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCC1CN(C(=O)c2cn[nH]c2)C1 1002829792 OLPQRGTXJLTUEY-AWEZNQCLSA-N 315.377 -0.305 30 20 DBED C#CCCN1CCC(NC(=O)Cn2ccc(O)nc2=O)CC1 1003256167 BLJNOPYGFATCQB-UHFFFAOYSA-N 304.350 -0.447 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C(=O)[C@@H]2CCC(=O)N(C)C2)CC1 1011257001 MDVPQWXMBSHBAB-VXGBXAGGSA-N 306.366 -0.315 30 20 DBED C[C@H]1[C@@H](NC(=O)Cn2cnnn2)CCN1C(=O)C#CC1CC1 1011738042 CPRUUNHVJDSQBZ-JQWIXIFHSA-N 302.338 -0.808 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NC1[C@H]2CN(C(=O)C(N)=O)C[C@H]12 1013183005 OMFULXGWMWURNS-RCWTZXSCSA-N 307.350 -0.974 30 20 DBED C[C@H]1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)CN1C(=O)C(N)=O 1018093112 QHAANVTUYQKHCK-WPRPVWTQSA-N 303.322 -0.519 30 20 DBED C=C[C@](C)(CC)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnnn2C)C1 1023566480 CMFIGHSRMDTSNM-IXPVHAAZSA-N 321.381 -0.281 30 20 DBED Cc1nc(CC(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2O)cs1 1025726581 XGBMJJOUSWDIFU-XXILOJSOSA-N 322.390 -0.158 30 20 DBED C#CCN[C@@H]1CC[C@@H]2CN(C(=O)c3cn(C)c(=O)n3C)C[C@@H]21 1026428890 OLNVWFGKCCTZDA-FRRDWIJNSA-N 302.378 -0.203 30 20 DBED N#CCN1CCC[C@@H]1CNC(=O)C1CC2(C1)NC(=O)NC2=O 1028196644 PVYQHPZOSCEEAL-OPASDULOSA-N 305.338 -0.921 30 20 DBED CC#CCN1CC[C@H](N(C)C(=O)Cn2ccc(O)nc2=O)C1 1033238946 BCSBJAYMFAYLRI-LBPRGKRZSA-N 304.350 -0.495 30 20 DBED C#CCOc1ncccc1C(=O)N(C)[C@H]1CCN(CC(N)=O)C1 1033591149 TZJIDSCKMZHNKX-LBPRGKRZSA-N 316.361 -0.275 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCCCN(CC(=O)NC)C2)nn1 1034432447 QIAQREXVIHZJPN-GFCCVEGCSA-N 320.397 -0.206 30 20 DBED N#CCN1CC[C@@H]2CN(C(=O)C3CC(=O)NC(=O)C3)CC[C@@H]21 1036842677 TWICUHXBOONHEX-PWSUYJOCSA-N 304.350 -0.514 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)CN3CC(=O)N(C)C3=O)CC[C@H]21 1036868683 QXXLLQIVZHNTHI-CHWSQXEVSA-N 318.377 -0.564 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)c3cn(C)c(=O)nc3O)CC[C@H]21 1036893244 NYAGRGRSITZVEX-DGCLKSJQSA-N 316.361 -0.345 30 20 DBED C#CCN1CCC(C(=O)NC[C@H]2CCN2CC(=O)NC)CC1 1039041422 CLVXWBGDXWWEJH-CQSZACIVSA-N 306.410 -0.732 30 20 DBED C[C@@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(Cc1nnnn1C)CC2 1039346384 GVGVEUMYUXECPD-SRVKXCTJSA-N 303.370 -0.065 30 20 DBED CC(C)C#CC(=O)NC[C@@]1(O)CCN(C(=O)c2cnsn2)C1 1039664762 XDMRWBXOCCZAQJ-AWEZNQCLSA-N 322.390 -0.109 30 20 DBED COCC1(C(=O)NC[C@]2(O)CCN(C(=O)[C@@H](C)C#N)C2)CC1 1040299072 YDHJCRUNQBPDGC-XHDPSFHLSA-N 309.366 -0.348 30 20 DBED C=CCCO[C@H](C)C(=O)N1CC(O)(CNC(=O)COC)C1 1041151677 QJEYEOOQNJKOJL-LLVKDONJSA-N 300.355 -0.697 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)c2cccnc2)C1 1041200608 VGGJYWIJMXTPOO-GFCCVEGCSA-N 317.345 -0.577 30 20 DBED C=CCCO[C@H](C)C(=O)N1CC(O)(CNC(=O)c2cn[nH]c2)C1 1041657081 DMBUFSDJINJRTE-LLVKDONJSA-N 322.365 -0.306 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)c2cn(CC=C)nn2)C1 1041965956 DVKYBQWOARPWCS-UHFFFAOYSA-N 319.365 -0.267 30 20 DBED Cc1[nH]nc(C(=O)NCC2(O)CN(C(=O)C#CC3CC3)C2)c1C 1042193659 ABGKYKOIPZMGPO-UHFFFAOYSA-N 316.361 -0.257 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)[C@@H]2[C@H]3CCC[C@H]32)C1 1042386655 LKVFBCUPQWPHDW-IMRBUKKESA-N 308.378 -0.075 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)c2ccc(C#N)[nH]2)C1 1042608355 COIRPXDVHMECKE-UHFFFAOYSA-N 318.333 -0.608 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(O)CN(C(=O)COCC)C1 1042809124 IMBTWZZOOZVAMZ-CYBMUJFWSA-N 300.355 -0.961 30 20 DBED CO[C@@H]1CN(c2ccncc2C#N)C[C@H]1NC(=O)c1cnon1 1042877596 YTIAAXQWJFRHTG-DGCLKSJQSA-N 314.305 -0.030 30 20 DBED C#CCCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCN(C)C2)C1 1043116456 NVMODULICTXRQP-CQSZACIVSA-N 321.421 -0.179 30 20 DBED C=C(C)CCC(=O)NCC1(O)CN(C(=O)[C@H]2COC(=O)N2)C1 1043311703 XRUGBEFWMWAYOX-SNVBAGLBSA-N 311.338 -0.859 30 20 DBED C=CCOCCCC(=O)N1CC(O)(CNC(=O)c2cnon2)C1 1045185139 YDXXMPXTHMGYRI-UHFFFAOYSA-N 324.337 -0.645 30 20 DBED C=CCN1CC[C@](C)(NC(=O)[C@@H]2CCN(C)S2(=O)=O)C1 1046698885 INCSRPZXXVLUMR-AAEUAGOBSA-N 301.412 -0.213 30 20 DBED C=CC(C)(C)CC(=O)N1CC(O)(CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 1046716828 ASQQTUIIOYGHQT-MNOVXSKESA-N 323.393 -0.600 30 20 DBED N#CCN1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCC(=O)N2)C1 1046989468 XPCBKTZFJDQOOU-UWVGGRQHSA-N 300.309 -0.138 30 20 DBED CN(C)c1cnc(C(=O)N(C)[C@H]2CN(CC#N)C[C@@H]2O)cn1 1047381329 JFAMUVRHTFBVRO-RYUDHWBXSA-N 304.354 -0.817 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CCC(=O)N2C)C1 1047481078 WEVQYRNKLBPCQJ-IHRRRGAJSA-N 307.394 -0.476 30 20 DBED C=CCOCC(=O)N(C)[C@H]1CN(C(=O)[C@H](C)OC)C[C@@H]1O 1048554790 HPHSPUNBCLPWPF-SRVKXCTJSA-N 300.355 -0.746 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CNC(=O)CC)C1 1048565565 FOPPFBDGYHJOGJ-STQMWFEESA-N 323.393 -0.654 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)CCn2cccn2)C[C@@H]1O 1049388723 PJNMZNDYRLCRRU-AGIUHOORSA-N 319.365 -0.537 30 20 DBED CC#CCN1CCOC[C@@H]1CNC(=O)c1cc2n(n1)CCO2 1050959231 WPRZRYPDWIXCMI-LBPRGKRZSA-N 304.350 -0.271 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1COCCN1Cc1cnon1 1051123827 HGFRMYRJEVVGFX-MJBXVCDLSA-N 322.365 -0.022 30 20 DBED N#Cc1cnccc1N1CC[C@@H](NC(=O)c2nc[nH]n2)[C@H](O)C1 1051710793 DDQFBRFXWPXHAG-ZYHUDNBSSA-N 313.321 -0.559 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(C(=O)CNC(C)=O)C[C@H]1C 1051852931 ZPSZIGWCXAKKMM-TZMCWYRMSA-N 323.393 -0.627 30 20 DBED C=CCN1CC2(CC[C@H](CNC(=O)c3cn(C)c(=O)cn3)O2)C1 1053629416 OZIRFKMSIFIPTI-GFCCVEGCSA-N 318.377 -0.071 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)[C@@]34CCCN(CC3)C4)CO2)C1 1053994797 MFGSFSQAOUISHO-ZFWWWQNUSA-N 304.394 -0.045 30 20 DBED N#Cc1ccc(N2C[C@@H]3CCC[C@]3(NC(=O)C(N)=O)C2)nn1 1055573702 STKSHGIBSCMJQY-XPTSAGLGSA-N 300.322 -0.691 30 20 DBED Cc1nonc1C(=O)N1CCC[C@](CO)(NC(=O)[C@H](C)C#N)C1 1056095500 CGKBZUBQHNLSKF-OTYXRUKQSA-N 321.337 -0.379 30 20 DBED C[C@H](C#N)C(=O)N[C@@]1(CO)CCCN(C(=O)c2cnn[nH]2)C1 1056097807 VRQJLXSORUJRHX-RNCFNFMXSA-N 306.326 -0.952 30 20 DBED N#Cc1cnccc1N1C[C@H]2[C@H](NC(=O)[C@H]3CCNC3=O)[C@H]2C1 1056354858 AICYXGXZLIOSAT-CIQGVGRVSA-N 311.345 -0.360 30 20 DBED C=CCO[C@H](C)C(=O)N1CCC[C@H]2[C@H]1CCN2C(=O)C(N)=O 1056449614 NWSMZWHTCCMYFS-GRYCIOLGSA-N 309.366 -0.345 30 20 DBED C=C[C@](C)(O)CC(=O)NCCN(CCO)C(=O)c1cccnc1 1056806804 DIBPCUHGIFPVPQ-INIZCTEOSA-N 321.377 -0.041 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)[C@@H]1CC[C@H]1C(N)=O 1057174037 ODNPVPQLFLBWJT-VXGBXAGGSA-N 311.382 -0.599 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)CCc1nc[nH]n1 1057298230 DHHZVRXLEUCVTO-UHFFFAOYSA-N 321.381 -0.522 30 20 DBED C=C[C@](C)(CC)C(=O)NCCN(CCO)C(=O)c1cn(C)nn1 1057494002 JYNTUIBVBLMBKN-OAHLLOKOSA-N 323.397 -0.032 30 20 DBED N#Cc1cnc(N[C@@H]2CCCN(C(=O)[C@@H]3CCNC3=O)C2)cn1 1057724988 PZGHEKFUAJTUEB-ZYHUDNBSSA-N 314.349 -0.113 30 20 DBED C=CC(C)(C)C(=O)NCCN(CCO)C(=O)CNC(=O)NC 1057855497 CMUNPNXCQQKWNY-UHFFFAOYSA-N 314.386 -0.935 30 20 DBED CN1CCOC[C@H]1C(=O)N[C@H]1CCN(c2nccnc2C#N)C1 1058318697 FCMBXHKGFWBRFW-AAEUAGOBSA-N 316.365 -0.626 30 20 DBED CN1CCOC[C@@H]1C(=O)N[C@H]1C[C@H](Nc2ccc(C#N)nn2)C1 1059186709 DTJFJLXRGZPVGJ-JHJVBQTASA-N 316.365 -0.262 30 20 DBED CN1CCOC[C@H]1C(=O)N[C@H]1C[C@H](Nc2cnc(C#N)cn2)C1 1059187028 RWWNHHFRHKMBFR-GVXVVHGQSA-N 316.365 -0.262 30 20 DBED COC(=O)[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@@H](N=c2cc[nH]c(C#N)n2)C1 1059576600 OGGVSKHBXDGCSK-LMLFDSFASA-N 315.333 -0.362 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@H]1CC[C@H](NC(=O)C(N)=O)CC1 1060805355 WQNTZPZJLLZLLP-UEKVPHQBSA-N 311.382 -0.410 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)CCn1cncn1 1061285280 HXUGLHDHRIYSJY-VXGBXAGGSA-N 320.353 -0.829 30 20 DBED C=CCCC(=O)N1CCOC[C@H]1CNC(=O)c1ncn(C)n1 1061552241 GRUGQUCTBQKVDY-LLVKDONJSA-N 307.354 -0.262 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCOC[C@@H]1CNC(=O)c1cnn[nH]1 1061696767 CBGCWPRTMXNWTQ-HZMBPMFUSA-N 323.353 -0.911 30 20 DBED Cc1nn[nH]c1C(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(C#N)cn1 1062553651 KNGNRDVOIKZUMZ-QWRGUYRKSA-N 310.321 -0.122 30 20 DBED CN(C(=O)c1cnn(C)n1)[C@H]1CCN(c2nccnc2C#N)C1 1062955612 VVBIIMQRTBYTKY-JTQLQIEISA-N 312.337 -0.172 30 20 DBED N#Cc1nccnc1N1C[C@H]2C[C@H]1[C@H]2NC(=O)Cc1nc[nH]n1 1064293983 DDBVFXULLGUKPJ-DVYJOKAKSA-N 310.321 -0.598 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)COCC)CCO1 1064801297 AXLABEVIQFVVFJ-LBPRGKRZSA-N 300.355 -0.431 30 20 DBED C=CCOCC(=O)N1CCO[C@H](CNC(=O)c2ccon2)C1 1064976644 NEQPCQIKCNMDJC-LLVKDONJSA-N 309.322 -0.166 30 20 DBED CN(C(=O)[C@@H]1CCCO1)[C@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1065565857 BFOPRHSBEXOKAA-AVGNSLFASA-N 317.349 -0.465 30 20 DBED C=C[C@H](CC)CC(=O)N1CCOC2(C1)CN(C(=O)CC(N)=O)C2 1068438191 OPPAEAGPCMCQAZ-GFCCVEGCSA-N 323.393 -0.096 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H]1C[C@H](NC(=O)Cn2cncn2)C1 1068490254 IXOZNHFSCIYJBD-AULYBMBSSA-N 311.349 -0.026 30 20 DBED N#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)CC2OCCCO2)C1 1069915041 IIOCVXKPFFQMQH-NEPJUHHUSA-N 320.353 -0.704 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@@H]2CCCCN2C)C[C@@H]1n1ccnn1 1070219644 BDODUZJYVNHOPM-ILXRZTDVSA-N 316.409 -0.263 30 20 DBED C=CCN[C@@H]1CN(C(=O)CCc2cnn[nH]2)C[C@@H]1n1ccnn1 1070283046 TVCPIVZISZZXNZ-OLZOCXBDSA-N 316.369 -0.444 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H](NC(=O)CCn2ccnn2)C1 1071229675 WTORNAQYFZFBQG-VXGBXAGGSA-N 304.354 -0.065 30 20 DBED CC#CCCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)CNC(N)=O)C1 1072553938 BDCZUFGBCROVHL-NEPJUHHUSA-N 308.382 -0.189 30 20 DBED N#CCN1CCCO[C@@H](CNC(=O)[C@H]2CCNC(=O)CC2)C1 1073713563 FACIKNNJMUVZGN-OLZOCXBDSA-N 308.382 -0.367 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)c3nnn(C)c3C)C[C@@H]21 1074197554 XOUMISAWEUFONZ-STQMWFEESA-N 303.366 -0.328 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)[C@@H]1CC1(F)F 1076391849 XOIQKENGOZLJJT-UWVGGRQHSA-N 315.320 -0.208 30 20 DBED C#CCOCCC(=O)NCC[C@H](C)NC(=O)COCCOC 1076504424 ZMJGKZRADKOSEH-ZDUSSCGKSA-N 314.382 -0.300 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3nc(C)nn3C2)C1 1077430239 DFAJTNXCTXJPQN-YNEHKIRRSA-N 305.382 -0.504 30 20 DBED CC(C)(C)N1CCC[C@H](C(=O)N[C@@H]2CN(CC#N)C[C@H]2O)C1=O 1077550103 RPMKFGBMJDRCNM-JHJVBQTASA-N 322.409 -0.292 30 20 DBED Cc1ccc(=O)n(CC(=O)NCC[C@H](C)NC(=O)[C@H](C)C#N)n1 1077655080 YYZMIIUNWSVXJE-MNOVXSKESA-N 319.365 -0.278 30 20 DBED CC#CCN1C[C@@H](NC(=O)[C@@H](C)N2C(=O)CCC2=O)[C@H](C)C1 1079803399 UKPUMRFMIGZRSB-JHJVBQTASA-N 305.378 -0.016 30 20 DBED C=CCCOCC(=O)N(CC)C1CN(C(=O)[C@@H]2CCNC2=O)C1 1079979672 KIYWXNSMVUJXCV-CYBMUJFWSA-N 323.393 -0.226 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(N(CC)C(=O)Cn2cncn2)C1 1080584221 OZFYJAQPSBKJLO-OAHLLOKOSA-N 321.381 -0.336 30 20 DBED C#CCCCC(=O)N1C[C@H](CNC(=O)CSCC#N)[C@@H](O)C1 1081287054 RYLKOYSJZRPKCS-STQMWFEESA-N 323.418 -0.018 30 20 DBED CC(C)C#CC(=O)N1C[C@H](CNC(=O)c2cnnn2C)[C@@H](O)C1 1081443824 DFDSHECPAWHUMZ-AAEUAGOBSA-N 319.365 -0.976 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)c2ccn(C)n2)C[C@H]1O 1081445170 RSVYYMAJYQZFBG-TZMCWYRMSA-N 318.377 -0.227 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C[C@H]1O 1081474873 VHXDEYHTDKREQR-ZHMBSYLPSA-N 318.373 -0.772 30 20 DBED C=CCCCC(=O)NC[C@H]1CN(C(=O)c2cn(C)nn2)C[C@@H]1O 1081703423 QFSBNRWGJFOPQU-AAEUAGOBSA-N 321.381 -0.280 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2cn(C)c(O)n2)C1 1081732643 JLVFXJYODBVMRW-ZYHUDNBSSA-N 322.365 -0.359 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](O)[C@@H](CNC(=O)Cn2cncn2)C1 1081787246 CTDHIZHWRLBDKZ-NWDGAFQWSA-N 321.381 -0.574 30 20 DBED CC(C)(C)n1nnc(C(=O)N2CCO[C@@H]3CN(CC#N)C[C@@H]32)n1 1083089877 XYCFQJUMDJXVOQ-WDEREUQCSA-N 319.369 -0.523 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)c2c(C)c(C)nn(C)c2=O)C1 1083689469 VUBMBTHSKQXYAB-OLZOCXBDSA-N 318.377 -0.805 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)C1 1083919113 JCZFKJLJVDZZMU-MNOVXSKESA-N 324.381 -0.946 30 20 DBED COCCN1C[C@@H](C(=O)N2C[C@H]3CCN(CC#N)C[C@H]32)CC1=O 1084385495 IOMCXLLQIZCBKP-HZSPNIEDSA-N 320.393 -0.462 30 20 DBED CC#CCN1CC[C@@H]2CN(C(=O)Cn3ccc(O)nc3=O)[C@@H]2C1 1084493977 MFNSCCFMIFPHHZ-CHWSQXEVSA-N 316.361 -0.495 30 20 DBED C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H]2CCS(=O)(=O)N2)C1 1086274849 AYZGCSZEOPCVEL-OUAUKWLOSA-N 321.830 -0.085 30 20 DBED C=CCCn1cc(C(=O)N[C@H]2CCN(CC(N)=O)[C@@H]2CC)nn1 1087755114 UYDCWYJNSMYWNE-WCQYABFASA-N 320.397 -0.078 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CCN(CCN3CCNC3=O)C[C@H]2C1 1087911762 JFTXDOKARNDOQC-MJBXVCDLSA-N 319.409 -0.048 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)Cn1ncnn1)N=c1cc[nH]c(C#N)n1 1089401805 ZKGLDFSPAYPPEG-VHSXEESVSA-N 315.341 -0.848 30 20 DBED CC(C)(C)n1nnc(CC(=O)N[C@H]2CCN(CC#N)C[C@H]2O)n1 1090294130 XBORSYPIDYWJTC-WDEREUQCSA-N 321.385 -0.954 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2c(C)nnn2CC)[C@H](O)C1 1090322813 NPCHMFNXGSHYBC-CHWSQXEVSA-N 305.382 -0.205 30 20 DBED COCc1nn(C)cc1C(=O)N[C@H]1CCN(CC#N)C[C@H]1O 1090370828 FUWZCYLEKRQBGN-WCQYABFASA-N 307.354 -0.745 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2ccc(C(N)=O)o2)[C@H](O)C1 1090415504 ATTYPELKXUDJQY-WDEREUQCSA-N 305.334 -0.433 30 20 DBED COc1ccnc(OC)c1C(=O)N[C@@H]1CCN(CC#N)C[C@H]1O 1090422237 IPFDUHSPNFNQII-GHMZBOCLSA-N 320.349 -0.213 30 20 DBED N#Cc1cccc(CN2CC[C@H](NC(=O)C(N)=O)[C@@H](O)C2)c1 1090531123 ILGWRMDGSOSSGR-STQMWFEESA-N 302.334 -0.905 30 20 DBED Cc1cc(C#N)nc(N2C[C@H](O)[C@H](NC(=O)CC(C)(C)O)C2)n1 1091099600 PJKWVMSWUGXBSS-NEPJUHHUSA-N 319.365 -0.517 30 20 DBED Cc1cc(N2CC[C@H](NC(=O)CC(N)=O)[C@H](O)C2)c(C#N)cn1 1092135180 VRKZILORNKFCAS-WCQYABFASA-N 317.349 -0.807 30 20 DBED C=CCN1C[C@@H]2CN(C(=O)CN3CC(=O)N(C)C3=O)C[C@]2(C)C1 1092195200 IIMFKBLHZWHUGG-WBMJQRKESA-N 320.393 -0.153 30 20 DBED C[C@]1(CNC(=O)C(N)=O)CN(c2ncccc2C#N)CCO1 1092775140 PFRBDSXWSMIROG-AWEZNQCLSA-N 303.322 -0.850 30 20 DBED N#CCN1CC(N2C[C@H](NC(=O)Cc3ccoc3)CC2=O)C1 1094732137 XSRSVVUQDDTDCG-GFCCVEGCSA-N 302.334 -0.253 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)[C@@H]3CCN(C)[C@@H]3C)CC2=O)C1 1094738185 HHMJHHNZLTUPNU-UMVBOHGHSA-N 320.437 -0.086 30 20 DBED Cc1cc(=NCCCNC(=O)[C@H]2C[C@H]2C(N)=O)c(C#N)c[nH]1 1094786211 YFDAAFRIVVYKCW-NEPJUHHUSA-N 301.350 -0.277 30 20 DBED C=C(C)CN1CC(N2C[C@@H](NC(=O)[C@@H]3CCC(=O)N3)CC2=O)C1 1094808186 IIJTXDRIVROGPN-AAEUAGOBSA-N 320.393 -0.758 30 20 DBED C#CCN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN1CCN(C)C(=O)C1)C2 1094950288 HJDWVOAOMSVICJ-KKUMJFAQSA-N 318.421 -0.637 30 20 DBED CN(CCCNC(=O)[C@]1(C)CCC(=O)N1)c1nccnc1C#N 1095731148 PHWIZKUABLJRKW-HNNXBMFYSA-N 316.365 -0.041 30 20 DBED COCCOCC(=O)N[C@H]1CCN(c2cncc(C#N)n2)C1 1096338664 DMYABXUZVLCJFS-NSHDSACASA-N 305.338 -0.294 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@H]1CCN(c2nccn3nnnc23)C1 1096359399 BYWYBPSAXUVYLX-HZMBPMFUSA-N 317.353 -0.459 30 20 DBED N#Cc1nccnc1N[C@H]1C[C@@H](NC(=O)CCNC(N)=O)C1 1097184423 YXZRDYRZNLJKTB-DTORHVGOSA-N 303.326 -0.534 30 20 DBED COCC(=O)N(C)CC(=O)NC[C@@H](C)Nc1ccc(C#N)cn1 1098329822 PCFRLXLDHMPCQS-LLVKDONJSA-N 319.365 -0.025 30 20 DBED N#Cc1ccc(NC[C@H]2CCN(C(=O)CNC(N)=O)C2)nc1 1098500866 MGTAFVDUMVJPIA-LLVKDONJSA-N 302.338 -0.118 30 20 DBED C#CCN(CCO)C1CCN(C(=O)[C@@H]2CCCN2C(C)=O)CC1 1098538824 ZKUKBZUIBLYTOB-INIZCTEOSA-N 321.421 -0.084 30 20 DBED C#CCN1C[C@@H]2CCC[C@]2(NC(=O)Cn2nc(C)n(C)c2=O)C1 1099143415 XCWFHSIQZAQIFM-BBRMVZONSA-N 317.393 -0.506 30 20 DBED C[C@H](CCNC(=O)[C@H]1CNC(=O)N1)Nc1ccc(C#N)nn1 1099682400 HEEJLCPTWVTGHY-PSASIEDQSA-N 303.326 -0.664 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)CCc2nc[nH]n2)[C@@H](O)C1 1099764487 WQGNLSZBDVTLFO-OLZOCXBDSA-N 323.397 -0.509 30 20 DBED C=CCCCN1CC[C@H](NC(=O)Cn2cnnc2O)[C@@H](O)C1 1099789388 NACUROYLEDPDKS-RYUDHWBXSA-N 309.370 -0.499 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)c2cnc(O)n2C)[C@H](O)C1 1099944376 MVJYMPRKOIWXKH-WCQYABFASA-N 324.381 -0.507 30 20 DBED C#CCCCCCC(=O)N[C@@H]1CCN(CC(=O)NC)C[C@H]1O 1099957621 UFPBPTDVFXVFKF-ZIAGYGMSSA-N 309.410 -0.133 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)Cn2ccnc2)[C@H](O)C1 1100136273 KKEGJKHYDMYBSS-UONOGXRCSA-N 308.382 -0.363 30 20 DBED CN(CCNC(=O)[C@H]1CCCNC1=O)c1ccnc(C#N)n1 1100184936 CTQCEAPYJVBLCB-JTQLQIEISA-N 302.338 -0.573 30 20 DBED N#CCNC1CC(CNC(=O)CN2CCCCS2(=O)=O)C1 1100512710 OKHXEYMNKFNFRX-UHFFFAOYSA-N 314.411 -0.580 30 20 DBED N#Cc1ccc(N2CC[C@@H](CNC(=O)CCNC(N)=O)C2)cn1 1100979945 DTZQGNGGKUTEAH-NSHDSACASA-N 316.365 -0.046 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)COC[C@H]1CCCO1 1101671000 JPNTTZHVUOPPFU-GFCCVEGCSA-N 319.365 -0.164 30 20 DBED C=CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)[C@@H](C)CC(N)=O)C1 1102216089 GFTJLJKQAJWAIN-YNEHKIRRSA-N 324.425 -0.516 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CCCCN(c2ccc(C#N)nn2)C1 1102854555 SOAVEGYVJPOSLM-GFCCVEGCSA-N 316.365 -0.041 30 20 DBED CC[C@@H](CNC(=O)[C@@H]1COCCO1)N=c1cc[nH]c(C#N)n1 1103010686 MWUCMNAYXNLANU-QWRGUYRKSA-N 305.338 -0.508 30 20 DBED CCC(=O)N[C@H](C)C(=O)NC[C@@H](CC)N=c1cc[nH]c(C#N)n1 1103345449 ILXVBSLPFLZDKR-GHMZBOCLSA-N 318.381 -0.008 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)[C@@H](C)n1cncn1 1103923064 QHXMWAOHKZCAMR-WDEREUQCSA-N 314.353 -0.213 30 20 DBED C[C@H](CNC(=O)C1CS(=O)(=O)C1)CNc1ccc(C#N)nn1 1104096571 MIYSRJIFWTTYEV-VIFPVBQESA-N 323.378 -0.443 30 20 DBED C[C@H]1OCC[C@H]1C(=O)N1CC(n2cc(CNCC#N)nn2)C1 1105349929 SZHBUYLKVIGCFT-ZWNOBZJWSA-N 304.354 -0.300 30 20 DBED CNC(=O)NCC(=O)N(C)CCN(C)c1cncc(C#N)n1 1105592624 QHHDFDVBVAMRIS-UHFFFAOYSA-N 305.342 -0.828 30 20 DBED N#Cc1c(F)cccc1NC[C@H](O)CNC(=O)Cn1nccn1 1105984868 BNBVEGGICBRQHU-JTQLQIEISA-N 318.312 -0.122 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)CCn2cnnn2)C[C@H]1C 1106797304 NBBOLTVAPQCGLP-ZIAGYGMSSA-N 320.397 -0.603 30 20 DBED C=CCCC(=O)NCc1cn(C2CN([C@H](CC)C(N)=O)C2)nn1 1107142625 MSCGWSGYVKZHRQ-CYBMUJFWSA-N 320.397 -0.019 30 20 DBED C=CCNC(=O)CN1CC[C@@]2(CNC(=O)CC(N)=O)CCC[C@@H]12 1107343514 AFDJQPKLPKCEQU-MLGOLLRUSA-N 322.409 -0.475 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)C(=O)NCC1CC1 1108488439 QYRURGIVCSJDBE-VIFPVBQESA-N 302.338 -0.787 30 20 DBED C#CCCCC(=O)N[C@@H]1CC(=O)N(C2CN(CCOC)C2)C1 1108538146 BZODZCUZRFZCGZ-CYBMUJFWSA-N 307.394 -0.162 30 20 DBED C[C@@H](CN(C)c1nccnc1C#N)NC(=O)[C@@H]1CCNC(=O)C1 1108895169 QRAXVIKTUXVRIV-WDEREUQCSA-N 316.365 -0.185 30 20 DBED C[C@H](CN(C)c1cnc(C#N)cn1)NC(=O)CCn1ccnn1 1108917410 CSOAYXWFLQCLOI-LLVKDONJSA-N 314.353 -0.029 30 20 DBED N#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCN1C(=O)CCC1=O 1109498931 GHVJPBUMAWZDLJ-WOPDTQHZSA-N 304.350 -0.229 30 20 DBED CN(CCCN=c1cc[nH]c(C#N)n1)C(=O)[C@@H]1CC[C@@H]1C(N)=O 1109580064 MZGOKAASCDERKF-WDEREUQCSA-N 316.365 -0.458 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)COCC1CC1 1110322845 NRPQVTVUOURCJJ-KFWWJZLASA-N 319.405 -0.116 30 20 DBED CN1CCC[C@@H]1C(=O)N(CCO)CCNc1cnc(C#N)cn1 1111429672 VUCKGXWGPBREID-CYBMUJFWSA-N 318.381 -0.325 30 20 DBED Cc1nn(C)cc1C(=O)N1CCN(CC(=O)NCC#N)CC1 1112729897 LWXUVIGAMLBBHC-UHFFFAOYSA-N 304.354 -0.874 30 20 DBED C#CCNC(=O)CC(=O)N1CCN(Cc2cnc(C)cn2)CC1 1112779031 CLXUTDNVZHYFIS-UHFFFAOYSA-N 315.377 -0.431 30 20 DBED CCn1nccc1C(=O)N1CCN(CC(=O)NCC#N)CC1 1112788178 WSJYUONHVSFAKM-UHFFFAOYSA-N 304.354 -0.699 30 20 DBED CC[C@@H]1[C@@H](C(=O)N2CCN(CC(=O)NCC#N)CC2)CCN1C 1112865095 SYZJDTKNMHUUMY-UONOGXRCSA-N 321.425 -0.499 30 20 DBED Cn1nc(C(=O)N2CCN(CC(=O)NCC#N)CC2)cc1Cl 1113086118 XYBSGYGRGLLTTF-UHFFFAOYSA-N 324.772 -0.529 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)c2[nH]cnc2C)CC1 1113740538 JNIUPQWCNOPRTH-LBPRGKRZSA-N 303.366 -0.386 30 20 DBED Cc1cc(C#N)nc(N(C)[C@@H](C)CNC(=O)[C@H]2CNC(=O)N2)n1 1113868645 AGMDLKAZHLWHIO-GXSJLCMTSA-N 317.353 -0.721 30 20 DBED CCNC(=O)CN1C[C@@H]2C(NC(=O)c3cc(C#N)c[nH]3)[C@H]2C1 1114103106 FXJIQIPLGHJSSJ-QWRGUYRKSA-N 301.350 -0.318 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)CC(=O)NCC)[C@H]2C1 1114170109 MNPPDXDZDZQTRE-SRVKXCTJSA-N 322.409 -0.750 30 20 DBED CCOCCNC(=O)CN1C[C@H]2[C@H](NC(=O)C#CC(C)C)[C@H]2C1 1114237419 LXOLAXUGGKCJHY-HALDLXJZSA-N 321.421 -0.155 30 20 DBED COCC1(C(=O)N[C@H]2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]32)CC1 1114559839 IETCACDIRSQBOZ-PJXYFTJBSA-N 306.366 -0.901 30 20 DBED C#Cc1cncc(C(=O)N[C@H]2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]32)c1 1114805820 KNVCNJMABHXSLX-FOLVSLTJSA-N 323.356 -0.637 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)CCn3cccc3)[C@H]2C1 1115015267 BMIKETUDLMICSG-KBPBESRZSA-N 314.389 -0.326 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)c3nonc3C)[C@H]2C1 1115346378 VLTCNJRBDNUNCP-MEWQQHAOSA-N 319.365 -0.271 30 20 DBED COC(=O)NCC(=O)N(C)C[C@H](C)Nc1nccnc1C#N 1115621249 ZJHXVJYYFMTEOX-VIFPVBQESA-N 306.326 -0.037 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N[C@@H]1COCC[C@H]1OC 1119869672 HMGOWHFAWHWJEF-VXGBXAGGSA-N 300.355 -0.433 30 20 DBED CCn1cc(C(=O)N(C)C[C@H](C)N=c2cc[nH]c(C#N)n2)nn1 1120043920 DGYJJPWHTMRMEF-JTQLQIEISA-N 314.353 -0.046 30 20 DBED Cc1cc(C#N)nc(N[C@H](CO)CNC(=O)COCC2CC2)n1 1121092919 USGGATWIYOIVIZ-ZDUSSCGKSA-N 319.365 -0.028 30 20 DBED N#Cc1cccnc1N[C@@H](CO)CNC(=O)C[C@H]1COC(=O)C1 1121304492 YKCPSGIENRBBSG-ZYHUDNBSSA-N 318.333 -0.205 30 20 DBED C[C@](O)(CC(=O)NC[C@@H](CO)N=c1cc[nH]cc1C#N)C1CC1 1121340474 XWMATKHISOBSHH-BBRMVZONSA-N 318.377 -0.185 30 20 DBED Cc1c[nH]nc1C(=O)NC[C@H](CO)Nc1cnc(C#N)cn1 1121527792 FBXMNYYHZIOVEE-SNVBAGLBSA-N 301.310 -0.417 30 20 DBED Cc1nccc(C(=O)NC[C@H](CO)N=c2cc[nH]c(C#N)n2)n1 1121659449 RDOGXKMNUAUFGU-SNVBAGLBSA-N 313.321 -0.929 30 20 DBED COCCOCCC(=O)NC[C@H](CO)Nc1ccc(C#N)nc1 1121699550 NFRNDAPZMZFONA-CQSZACIVSA-N 322.365 -0.105 30 20 DBED Cc1nc(N[C@@H](CO)CNC(=O)c2cnn(C)n2)ccc1C#N 1121771664 VWPDWGYKLNDNOG-LLVKDONJSA-N 315.337 -0.407 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)C[C@H]2CCNC2=O)cn1 1122192364 YGZVDFLPFMKNLB-MFKMUULPSA-N 317.349 -0.632 30 20 DBED N#Cc1c(F)cccc1N[C@H](CO)CNC(=O)[C@H]1C[C@H]1C(N)=O 1122566855 FSUFVTWPROXEHE-AEJSXWLSSA-N 320.324 -0.292 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)CC2OCCCO2)C1=O 1126227773 JNKUHFBSDJZQPQ-GFCCVEGCSA-N 311.382 -0.368 30 20 DBED C#CCC1(C(=O)NCCN[C@H]2CCC(=O)NC2=O)CCOCC1 1129116547 ALSKGUOBFPLNEW-LBPRGKRZSA-N 321.377 -0.683 30 20 DBED Cc1ccn2ncc(C(=O)NCCNCC(=O)NCC#N)c2c1 1129924148 NUMJLCQCXWCMTH-UHFFFAOYSA-N 314.349 -0.398 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)CCOCCOC)C[C@@]3(C1)O2 1131293917 BKOAZHVQDLQETA-BFYDXBDKSA-N 322.405 -0.026 30 20 DBED C[C@H]1CC[C@H](NC(=O)CCCN(C)C)CN1CC(=O)NCC#N 1132264712 ASTGXRRSIIFDGR-KBPBESRZSA-N 323.441 -0.063 30 20 DBED N#Cc1ccccc1CNCCNC(=O)CN1CCNC(=O)C1 1132317778 MSXXKHZJRJFIOR-UHFFFAOYSA-N 315.377 -0.804 30 20 DBED C#CCNC(=O)CNC[C@H]1CN(C(=O)c2ncc[nH]2)CC[C@@H]1C 1132805506 SZHPJFANUHKCPZ-STQMWFEESA-N 317.393 -0.153 30 20 DBED C#CCNC(=O)CNCCNC(=O)Cc1ccc(CC)cn1 1134084186 VNZQWOOKFWVDIT-UHFFFAOYSA-N 302.378 -0.358 30 20 DBED COCC#CCN[C@H](C)C[C@@H](C)NC(=O)CN1CCOCC1 1134128060 UUSSXJVDXVJAQY-HUUCEWRRSA-N 311.426 -0.159 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1oc(C2CC2)nc1C 1135019843 GUEMEXRMUFWWHL-UHFFFAOYSA-N 304.350 -0.071 30 20 DBED C#CCCN[C@@H](C)C[C@H](C)NC(=O)CN1C(=O)CN(C)C1=O 1136128788 ADFIPFUZMCTWES-RYUDHWBXSA-N 308.382 -0.223 30 20 DBED C=C(C)CN(CC)C(=O)[C@@H](C)NCCNC(=O)Cc1nc[nH]n1 1147271653 MCRPKCOVAWIQBL-GFCCVEGCSA-N 322.413 -0.134 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)c1nccnc1N 1152469963 GFRPILHABDKPQE-LLVKDONJSA-N 318.381 -0.752 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H](C)N(CC)Cc1nnn(C)n1 1153327621 QAQUIKBBLJXYFY-NEPJUHHUSA-N 308.386 -0.425 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@@H]1C[C@@H]2CCCCN2C1 1158039266 RWSTZUOQJPCCNY-CABCVRRESA-N 320.437 -0.294 30 20 DBED N#Cc1ccc(CNCCCNC(=O)[C@@H]2CNC(=O)N2)cc1F 1165469506 ZJMIYJMNJZLOHC-ZDUSSCGKSA-N 319.340 -0.025 30 20 DBED C=CCCn1cc(C(=O)NCCCNCCn2cncn2)nn1 1167999483 YOGZYXDFNRWFRF-UHFFFAOYSA-N 318.385 -0.145 30 20 DBED C=CCNC(=O)CNCCCC[C@H](C)NC(=O)Cn1nccn1 1170997920 MFYMNWUGVNDIRY-ZDUSSCGKSA-N 322.413 -0.155 30 20 DBED CNC(=O)C1(C(=O)N2CC[C@@H]3OCCN(CC#N)[C@H]3C2)CCC1 1177139670 SWSLMNHDXUPULU-STQMWFEESA-N 320.393 -0.272 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)[C@H]1CCCN1C(C)=O 1177147682 PLGLMUNNLUHIAT-GXTWGEPZSA-N 322.409 -0.769 30 20 DBED C#CCNC[C@@H]1C[C@H]2CC[C@H]1N(C(=O)CC(=O)NCC#C)C2 1177705987 LMKNMSSUJYRFBN-QLFBSQMISA-N 301.390 -0.024 30 20 DBED C[C@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)CCn1cccn1 1178131653 VXTQCTPTQYYHSK-STQMWFEESA-N 318.381 -0.508 30 20 DBED CC#CCN[C@H]1CCN(C(=O)Cn2nc(C)n(C)c2=O)[C@H]1C 1180037454 OKAKVITXUULNHQ-AAEUAGOBSA-N 305.382 -0.507 30 20 DBED C[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@@]1(C)CNCC(=O)NC(N)=O 1180914369 QDTUWFIUYRYUMT-GPCCPHFNSA-N 309.370 -0.585 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)CCCOCC=C)C1 1181898640 ZGJYSVOUXLQIKF-CQSZACIVSA-N 307.394 -0.091 30 20 DBED C#CCNC[C@]1(C)CN(C(=O)C2CC(=O)NC(=O)C2)C[C@H]1C 1182876593 HZALKOIMUOXXTC-BDJLRTHQSA-N 305.378 -0.253 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC[C@@H](N(C)Cc2nc(=O)n(C)[nH]2)C1 1189917876 LHTIZMZNSNFSPB-ABAIWWIYSA-N 323.397 -0.532 30 20 DBED CCCN(CCC)C(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H](C)C#N)C1 1191864708 QKLWEHZRYYNICA-MGPQQGTHSA-N 324.425 -0.044 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)CCNC(=O)NC)C1 1192702641 SDPVHJFWOGMFKT-NXEZZACHSA-N 304.778 -0.781 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN([C@H](C)c2nnnn2C)C[C@H]1O 1192762423 ZPYKKONWYCZGDB-IJLUTSLNSA-N 306.370 -0.908 30 20 DBED C[C@H](c1nncn1C)N1C[C@@H](O)[C@H](NC(=O)C#CC2CC2)C1 1192822015 RTUSEOCMILRIJO-RAIGVLPGSA-N 303.366 -0.549 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2cncc(F)c2)C[C@H]1O 1192891075 GYESYHHYGNKRAP-NILFDRSVSA-N 321.352 -0.080 30 20 DBED CC#CCN(C)[C@@H]1CCN(C(=O)CCS(=O)(=O)N(C)C)C1 1194202040 YTODASHXINCEQX-CYBMUJFWSA-N 315.439 -0.176 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCCN(CC(=O)NC(N)=O)CC1 1197195929 NHTCEWKLPRDYMJ-NEPJUHHUSA-N 324.381 -0.693 30 20 DBED C=C(C)CN1CCCN(C(=O)C[C@H](NC(C)=O)C(N)=O)CC1 1197354602 ZHFLDSWHDVXMLF-ZDUSSCGKSA-N 310.398 -0.523 30 20 DBED C#CCN1CCCN(C(=O)[C@@H](NC(=O)COC)C(C)C)CC1 1197379980 VANZMLXXLOSUIX-HNNXBMFYSA-N 309.410 -0.059 30 20 DBED CNC(=O)NC(C)(C)C(=O)N1CCCN(CC#CCOC)CC1 1198251815 IFPDUHOJZHOLAM-UHFFFAOYSA-N 324.425 -0.122 30 20 DBED C#CCNC(=O)CNC[C@H]1CN(C(=O)[C@H](C)CC)CCCO1 1199885692 BUTTXMUIAHRDQC-KGLIPLIRSA-N 309.410 -0.011 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)[C@@H]2CCCCO2)CC1 1200078061 FCRCEQXJGMJRLH-AWEZNQCLSA-N 307.394 -0.115 30 20 DBED C=CCNC[C@H]1CN(C(=O)c2cc(=O)n(C)cn2)CCCO1 1200712900 KUNSKAWQXHOQTQ-LBPRGKRZSA-N 306.366 -0.213 30 20 DBED C=CCNC(=O)CN[C@@H]1C[C@@H](NC(=O)CNC(C)=O)C12CCC2 1202344111 YIOVPYKHUZYSRF-CHWSQXEVSA-N 322.409 -0.558 30 20 DBED C#CCOCCC(=O)N1CCC(CNCC(=O)NCC)CC1 1205259389 YMXZZSACSIYMRA-UHFFFAOYSA-N 309.410 -0.009 30 20 DBED CS(=O)(=O)NCCC(=O)N1CCC(CNCC#N)CC1 1205415666 GHTWCSKCRKGWMR-UHFFFAOYSA-N 302.400 -0.723 30 20 DBED N#CCNCC1CCN(C(=O)c2cnn3c(=O)cc[nH]c23)CC1 1206513990 VTSIKWGDGXQGSD-UHFFFAOYSA-N 314.349 -0.012 30 20 DBED C=CCCNCC1CCN(C(=O)CS(=O)(=O)NC)CC1 1206934587 UBKDLZUVVMQAQL-UHFFFAOYSA-N 303.428 -0.060 30 20 DBED CN1CCC[C@H]1C(=O)N1CCC[C@H](NCC(=O)NCC#N)C1 1207689020 VGYBQECVDHLUJQ-STQMWFEESA-N 307.398 -0.699 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1 1207821590 YRNDVRUZJPLNQA-CYBMUJFWSA-N 313.361 -0.170 30 20 DBED CC#CCN[C@@H]1CCCN(C(=O)c2cc(=O)n3[nH]cnc3n2)C1 1210662444 YDVAVCYCDGZWBM-LLVKDONJSA-N 314.349 -0.365 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@@H](NCc2nc(O)n[nH]2)[C@H](C)C1 1214605098 VVCUPHXGOLLDKH-GMTAPVOTSA-N 307.354 -0.515 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)c2cnc(C)[nH]2)C1 1219365864 JWIVKPQLEGORIO-BIMULSAOSA-N 321.381 -0.816 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(C[C@@H](O)Cn2cccn2)C[C@@H]1O 1219523774 NTBUEIAYOBMNOZ-KFWWJZLASA-N 320.393 -0.791 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)C(=O)Nc2ccc(OC)cc2)C1 1219959830 OAEMBGHHSZYOAG-KGLIPLIRSA-N 317.345 -0.572 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C(C)(C)CC(C)C)C1 1220717221 GNSWOPDNTRCJLB-KGLIPLIRSA-N 323.437 -0.031 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)Cc2[nH]cnc2C)C1 1220852424 JHGPSSUMQJPOIZ-KGLIPLIRSA-N 308.382 -0.375 30 20 DBED COC1CC(C(=O)N2C[C@H]3CCN(CC(=O)NCC#N)C[C@H]32)C1 1221634945 QGGXDFQRWAHOAS-BLYZHGLHSA-N 320.393 -0.416 30 20 DBED N#CCNC(=O)CN1CC[C@@H]2CN(C(=O)Cc3ccc[nH]3)[C@@H]2C1 1222035463 DYTQXYXGPRRLDY-TZMCWYRMSA-N 315.377 -0.270 30 20 DBED CO[C@@H](C)CC(=O)N1CC[C@H]2CCN(CC(=O)NCC#N)[C@H]2C1 1222412168 OLKABPKFFOZJTE-MJBXVCDLSA-N 322.409 -0.026 30 20 DBED CS(=O)(=O)NCCC(=O)NCC1CCN(CC#N)CC1 1223375003 XBDMSZFMLMYDTD-UHFFFAOYSA-N 302.400 -0.723 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)CCC(=O)NCC 1231197451 CNNFDIVMWCBTIF-CYBMUJFWSA-N 322.409 -0.815 30 20 DBED CN(CCCNC(=O)c1cc[n+]([O-])cc1)CC(=O)NCC#N 1233572075 VDWYCBXBXFNYGY-UHFFFAOYSA-N 305.338 -0.989 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCc2ccccc2[C@H]1CO 1260310062 SKDPKUXVBDHMKJ-OAHLLOKOSA-N 316.357 -0.129 30 20 DBED C=CCOCCNC(=O)C(=O)N1CC[C@@H](C(=O)OC)[C@@H](C)C1 1261626851 GIASGPYCVQUVCR-NWDGAFQWSA-N 312.366 -0.037 30 20 DBED CN1N=C(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CCC1=O 1318654342 PJMBIOCPPZYCNN-OWBHPGMISA-N 319.321 -0.763 30 20 DBED N#C[C@@H]1COCCN1C(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 1319073531 SHPRVQXXIUZDJJ-SECBINFHSA-N 300.274 -0.419 30 20 DBED COCc1noc(CN2CCN(C(=O)NCCC#N)CC2)n1 1321080713 YRURFDKROADWSS-UHFFFAOYSA-N 308.342 -0.043 30 20 DBED C=C[C@H](COC)NC(=O)N(CCO)CCN1CCOCC1 1324031431 AEKAOBAOSVGLRX-CYBMUJFWSA-N 301.387 -0.477 30 20 DBED Cn1cc(CCCNC(=O)C(=O)N2CCO[C@H](C#N)C2)cn1 1324271588 XKIDRIUHXBLQSP-GFCCVEGCSA-N 305.338 -0.780 30 20 DBED COC[C@@](C)(C#N)NC(=O)c1nnn(-c2ccn(C)n2)c1C 1324532374 KTOFFHWYVDISLD-CYBMUJFWSA-N 303.326 -0.032 30 20 DBED C=CCn1cc(CNC(=O)C(=O)NC[C@H]2CC[C@@H](C)O2)nn1 1326253507 YCHCKCWUUMPOFN-ZYHUDNBSSA-N 307.354 -0.236 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)C(=O)N2CCC(CCCO)CC2)C1 1326529045 DXXPGNRARRINRZ-MRXNPFEDSA-N 323.393 -0.125 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)N2CCOC[C@@H]2C2CCC2)C1 1328445200 OZPNOGDNOMDRAM-CJNGLKHVSA-N 321.377 -0.109 30 20 DBED COC(=O)N(C)CCNC(=O)C(=O)N1CCC(CC#N)CC1 1328711201 VCBDWRQPDPDDCO-UHFFFAOYSA-N 310.354 -0.047 30 20 DBED C=CCn1cc(CNC(=O)N[C@@H]2CCS(=O)(=O)[C@@H]2C)nn1 1329754260 NJZRQDLGCCDTCK-MWLCHTKSSA-N 313.383 -0.161 30 20 DBED C#CCN1CCC[C@H](NC(=O)N2CCN(C(=O)COC)CC2)C1 1333488295 AINFRQQYURKMBA-AWEZNQCLSA-N 322.409 -0.416 30 20 DBED N#CCNC(=O)COC(=O)CNS(=O)(=O)c1ccccc1 1338738786 FKXMCVVQIGPDIR-UHFFFAOYSA-N 311.319 -0.852 30 20 DBED C=CCN1CCC(NC(=O)C(=O)NCCNC(=O)C2CC2)CC1 1341086456 IJXUSQAYULPYAM-UHFFFAOYSA-N 322.409 -0.605 30 20 DBED C[C@H](C(=O)NC[C@H]1CCCS(=O)(=O)C1)n1cnc(C#N)n1 1361484090 ZQNHILBERFMCJZ-NXEZZACHSA-N 311.367 -0.348 30 20 DBED CCO[C@H]1CCCN(C(=O)Cn2cc(C#N)c(O)nc2=O)C1 1362077927 QFPQMZHBNBVTPZ-NSHDSACASA-N 306.322 -0.152 30 20 DBED C[C@@H]1CN(c2[nH]c(=O)n(C)c(=O)c2C#N)CC2(CCOCC2)O1 1364170412 IEFOSUGABHLBLV-SNVBAGLBSA-N 320.349 -0.280 30 20 DBED CN(CCNC(=O)[C@@H]1CCCC(=O)N1C)c1cncc(C#N)n1 1366810553 RNLHFIPDNUPQBP-LBPRGKRZSA-N 316.365 -0.088 30 20 DBED C=C(Cl)CN1CC(O)(CNC(=O)Cc2nnc(C)o2)C1 1368298058 SUJJAAOWYSFTAW-UHFFFAOYSA-N 300.746 -0.164 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CCN(C(=O)CNC(=O)N2CCCC2)C1 1385612978 MKMFGVVEYYWKSU-RYUDHWBXSA-N 321.381 -0.331 30 20 DBED COC(=O)NCC(=O)N1[C@H]2CC[C@H]1CN(C(=O)[C@H](C)C#N)C2 1407728027 WNBXYXKJWKODCA-VWYCJHECSA-N 308.338 -0.296 30 20 DBED C[C@H](CNC(=O)[C@H](C)C#N)NC(=O)c1ccc2nnc(O)n2c1 1410244398 JATQIBLJUARRPZ-RKDXNWHRSA-N 316.321 -0.171 30 20 DBED N#Cc1cn(CCC(=O)NCC[C@H](O)C2CC2)c(=O)nc1O 1412784086 UWPCPOPXUZERTK-NSHDSACASA-N 306.322 -0.512 30 20 DBED CNC(=O)NC(=O)[C@@H](C)N[C@H]1C[C@@H](CNC(=O)[C@H](C)C#N)C1 1418615506 LQKVQOHJPFLLJI-DBIOUOCHSA-N 309.370 -0.525 30 20 DBED C[C@H](C#N)C(=O)NCC1(NCC(=O)Nc2cnccn2)CC1 1420918971 ITQWYLHWWFPLJQ-SNVBAGLBSA-N 302.338 -0.187 30 20 DBED Cn1c(C#N)ccc1C(=O)N1CCS(=O)(=O)[C@@H]2COCC[C@H]21 1434066637 SHHWOAQETSFMBQ-DGCLKSJQSA-N 323.374 -0.075 30 20 DBED CC(C)(C#N)CS(=O)(=O)NCC1(O)CCS(=O)(=O)CC1 1434571034 LYJOQRNLYHFDMV-UHFFFAOYSA-N 324.424 -0.605 30 20 DBED C[C@H](C#N)C(=O)N1CCC(O)(CN[C@H](C)C(=O)N(C)C)CC1 1440628229 NNDZXMBFPVTXMI-VXGBXAGGSA-N 310.398 -0.434 30 20 DBED CC(C)CNC(=O)NC(=O)[C@@H](C)N1CC(NC(=O)[C@@H](C)C#N)C1 1443460822 JYHLISMHVLXIAB-WDEREUQCSA-N 323.397 -0.183 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1cnn(CCF)c1 1452372756 BTCLLCMWLXMEAM-KOLCDFICSA-N 311.317 -0.781 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1noc2c1CCCC2 1458034459 KTDOUECRAWQCDG-ZJUUUORDSA-N 320.349 -0.080 30 20 DBED C=C(Cl)CNC[C@H](O)CNC(=O)CNC(=O)N1CCCC1 1496980529 GLXWDQZDUWCROF-NSHDSACASA-N 318.805 -0.389 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)[C@@H]2CCC(=O)N2)CCCC1 1499514081 WIKJVALSIRAJAJ-MNOVXSKESA-N 306.366 -0.030 30 20 DBED COC(=O)C1(C#N)CCN(C(=O)[C@@H]2NCc3n[nH]cc32)CC1 1578777315 JZYDVSHGQVGUCY-LLVKDONJSA-N 303.322 -0.141 30 20 DBED COC(=O)c1cnc(CNC(=O)N[C@@H]2CNC[C@H]2C#N)s1 1578882431 IHISIGCLJFSUPM-HTQZYQBOSA-N 309.351 -0.160 30 20 DBED CN(CCN1CCCC1=O)c1cnc(C#N)c(-c2nn[nH]n2)n1 1579163470 OGMWXWUTBZCTOI-UHFFFAOYSA-N 313.325 -0.413 30 20 DBED COC(=O)CCN(CC#N)C(=O)c1ccc(-c2nn[nH]n2)nc1 1579447787 SJVMHLGBMQUSOG-UHFFFAOYSA-N 315.293 -0.209 30 20 DBED C=CC[C@@H](CO)NS(=O)(=O)c1cccnc1-c1nn[nH]n1 1588546168 ZHYMRIAVLQGSCJ-QMMMGPOBSA-N 310.339 -0.523 30 20 DBED C=CCCC[C@@H](NC(=O)CN1CCS(=O)(=O)CC1)C(=O)O 1588788411 BJXIORKPXNPSOK-LLVKDONJSA-N 318.395 -0.358 30 20 DBED CC(C)NC(=O)[C@H](C#N)C(=O)[C@H](C)n1cnc(-c2nn[nH]n2)n1 1589719752 FWMFLHMEWZLKGJ-JGVFFNPUSA-N 317.313 -0.747 30 20 DBED N#CCN(CCC(=O)O)C(=O)c1csc(S(N)(=O)=O)c1 1601072304 REVURJVQRQMRMO-UHFFFAOYSA-N 317.348 -0.164 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H]1CCN(c2ccnc(C(=O)O)n2)C1 1602726508 QTUGAXCUEXBHQZ-MNOVXSKESA-N 318.333 -0.092 30 20 DBED C[C@H](CN(C1CC1)S(=O)(=O)N1CCO[C@@H](C#N)C1)C(=O)O 1604159069 KKHGMVGIKJULTA-KOLCDFICSA-N 317.367 -0.359 30 20 DBED CN(C)C(=O)CSc1nc(N)c(-c2nn[nH]n2)cc1C#N 1604668342 NXFUHBZHYBOVIL-UHFFFAOYSA-N 304.339 -0.104 30 20 DBED CN(CCN(C)c1cnc(C#N)cn1)C(=O)[C@H]1C[C@@H]1C(=O)O 1606127076 UAGSFKLYEQAVFP-QWRGUYRKSA-N 303.322 -0.036 30 20 DBED Cn1cc(-c2nn[nH]n2)c(=O)n(CC#Cc2ccccc2)c1=O 1606221796 PWULCAAKKWSDNZ-UHFFFAOYSA-N 308.301 -0.221 30 20 DBED N#Cc1ncn(CC(=O)N2CCOC3(CCOCC3)CC2)n1 1645685089 JBNZPXJTXQRYPF-UHFFFAOYSA-N 305.338 -0.052 30 20 DBED Cc1cc(C)n(CC(=O)NCCn2cnc(C#N)n2)c(=O)n1 1647187388 FPFDGSUHYWLVSD-UHFFFAOYSA-N 301.310 -0.860 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2nc(C)oc2C)C1 1662554059 IGGMPOMVDYYASD-LBPRGKRZSA-N 304.350 -0.155 30 20 DBED C=CCNC(=O)CN1CCC[C@@H](CNC(=O)[C@H](C)CC(N)=O)C1 1752784832 KMQUXSSROQNNFJ-OLZOCXBDSA-N 324.425 -0.372 30 20 DBED CC(=O)N[C@@H](C)C(=O)NC1CCC(NCC(=O)NCC#N)CC1 1752847611 XRQOQTRVSAPUSH-PKSQDBQZSA-N 323.397 -0.832 30 20 DBED C=CCN1CC[C@H](N(C)CCNC(=O)c2cnns2)C1=O 1753043047 MPYXUDBXTQCQLS-JTQLQIEISA-N 309.395 -0.013 30 20 DBED C#CCNC(=O)CN(CC)CCNC(=O)Cn1ccnc1C 1753094429 LKZKMWVIKMKWBH-UHFFFAOYSA-N 305.382 -0.621 30 20 DBED C#CCNC(=O)CN1CC(CNC(=O)c2snnc2C)C1 1753402413 LWWMDTCLCOZYSU-UHFFFAOYSA-N 307.379 -0.742 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@H](C)N(C)C(=O)C(C)(C)C(N)=O 1753697302 LSMJFUUNCNVQQE-WDEREUQCSA-N 310.398 -0.928 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@@H](C)N(C)C(=O)c1ccnc(C)n1 1753726443 MJLFXTXLPSZWNO-VXGBXAGGSA-N 317.393 -0.027 30 20 DBED C#CCNCC[C@H]1CCCCN1C(=O)CN1CCC(=O)NC1=O 1753784984 DOVQGKDHNWQCTH-CYBMUJFWSA-N 320.393 -0.078 30 20 DBED C#CCCNC[C@H](O)CNC(=O)c1cccc(-n2cccn2)n1 1753928265 YEJZWLQIPKOSSE-ZDUSSCGKSA-N 313.361 -0.029 30 20 DBED C=CCNC(=O)[C@@H](C)NC[C@@H](C)NC(=O)Cn1ccnc1C 1754253180 ASFGLBNXDHHVHE-VXGBXAGGSA-N 307.398 -0.023 30 20 DBED C[C@H](CN(C)CC(=O)NCC#N)NC(=O)C[C@@H]1CCCOC1 1754332466 DFXMMIDUWSRXLW-OLZOCXBDSA-N 310.398 -0.121 30 20 DBED COCC#CCN(CCOC)C1CCN(C(=O)C(N)=O)CC1 1754559289 NIXYXOAAXNCGSI-UHFFFAOYSA-N 311.382 -0.939 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)CCOCC#C)[C@H](C)C1 1754595671 RNRRLGWWYMOKSP-HUUCEWRRSA-N 319.405 -0.255 30 20 DBED C#CCOCCC(=O)N1CCC[C@H]1CNCc1nc(O)n[nH]1 1754609827 QOPMYMDPFDPTGG-NSHDSACASA-N 307.354 -0.369 30 20 DBED N#CCNC1(CNC(=O)[C@@H]2CCCN(C(N)=O)C2)CCOCC1 1754739087 YWBYBKCJLCWBGX-GFCCVEGCSA-N 323.397 -0.444 30 20 DBED C=C(C)CCN1CC[C@@](O)(CNC(=O)CCn2cnnn2)C1 1754761078 UJWRLAUPCBVTRT-CQSZACIVSA-N 308.386 -0.418 30 20 DBED CC#CCNC1CCN(CCNC(=O)CCNC(=O)NC)CC1 1754848611 NCTWILVNCIJUEO-UHFFFAOYSA-N 323.441 -0.501 30 20 DBED C=CCN1CCC(CO)(NC(=O)c2ccc3nnnn3c2)CC1 1755178405 AYJJLJPKBKWYHG-UHFFFAOYSA-N 316.365 -0.133 30 20 DBED CCS(=O)(=O)NCCN[C@@H](C)[C@@H](C)NC(=O)C#CC1CC1 1755252215 IOCVQBIEAIATCG-NWDGAFQWSA-N 315.439 -0.178 30 20 DBED C#CCN[C@@H](C)[C@@H](C)NC(=O)Cn1[nH]cc2c(=O)ncnc1-2 1755260486 QLZQADYLEFVDCP-VHSXEESVSA-N 302.338 -0.813 30 20 DBED C[C@H](CNC(=O)Cc1cncn1C)N(C)CC(=O)NCC#N 1755325443 VZFSGLQHXKPNMP-LLVKDONJSA-N 306.370 -0.961 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@H](CO)CNC(=O)c1c(C)ccn1C 1755625346 JHHSVKFWGMNMGO-OLZOCXBDSA-N 322.409 -0.295 30 20 DBED CC#CCN(C)C[C@H](O)CN(C)C(=O)[C@H]1CCS(=O)(=O)C1 1755802576 CVUYITQDNIFURF-STQMWFEESA-N 316.423 -0.805 30 20 DBED C[C@H](CNC(=O)C#CC1CC1)N(C)C(=O)C[C@@H]1CCNC1=O 1756024771 UOMIXUINXUQTAE-YPMHNXCESA-N 305.378 -0.111 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H](C)N(C)C(=O)Cn1cccn1 1756026756 KPOIKJSHDHANHG-CHWSQXEVSA-N 306.366 -0.116 30 20 DBED CC(=O)N[C@@H](C)C(=O)NC[C@H]1[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]12 1756189584 HZSRTVOIIAZZTD-FBUXBERBSA-N 317.389 -0.255 30 20 DBED CC(C)C#CC(=O)NCCOCCCNC(=O)c1nnn(C)n1 1756397764 YGSWMZXEVFTUOD-UHFFFAOYSA-N 322.369 -0.878 30 20 DBED C#Cc1ccc(C(=O)N[C@@H](CO)CNC(=O)c2ncc[nH]2)cn1 1756517740 NNVRNMSDIKASAZ-GFCCVEGCSA-N 313.317 -0.693 30 20 DBED C=CCOCC(=O)N[C@H]1CCCN(C(=O)CC(=O)NC)[C@@H]1C 1756625706 ZQHDIGQEXLKJSQ-NEPJUHHUSA-N 311.382 -0.179 30 20 DBED CC(C)C#CC(=O)N[C@H]1CC[C@@H](C)N(C(=O)Cn2ncnn2)C1 1756794588 YPRDLWQNXQWZQT-OLZOCXBDSA-N 318.381 -0.172 30 20 DBED C=CCCC(=O)N[C@@H]1CN(C(=O)C[C@H]2CCNC2=O)C[C@H]1O 1756984542 BEIFMUUSAHNZNM-IJLUTSLNSA-N 309.366 -0.833 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)c2ccc(C)nn2)C[C@@H]1O 1757161616 IUFWLMJGWLCALW-OLZOCXBDSA-N 320.349 -0.711 30 20 DBED NC(=O)CNC(=S)NN=Cc1ccn([C@H]2C[C@H](C(=O)O)C2)n1 1776042762 SVRSEDQPLQGODO-XWEPSHTISA-N 324.366 -0.798 30 20 DBED N#CC1(C(=O)N2CCCC3(CCN(C(=O)C(O)O)CC3)C2)CC1 1809495088 OVOOOCHMMPSRJL-UHFFFAOYSA-N 321.377 -0.168 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1841603180 GAJXRDJLLUKISM-LBPRGKRZSA-N 318.329 -0.684 30 20 DBED C#CCCCC(=O)N1CCCC12CN(C(=O)CNC(=N)N)C2 1846373082 JJZKHZZMLJVEHW-UHFFFAOYSA-N 305.382 -0.524 30 20 DBED C#CCN1CCC(C(=O)NCCCNS(C)(=O)=O)CC1 57154990 YIDUEYPBXUADOC-UHFFFAOYSA-N 301.412 -0.613 30 20 DBED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[C@H](CO)C2)CC1 91580874 YNCZWEZSEQKQRX-GJZGRUSLSA-N 308.426 -0.007 30 20 DBED CC(C)(CNC(=O)C1(C#N)CCOCC1)NS(C)(=O)=O 111770473 SNHPBZLHSSXXDG-UHFFFAOYSA-N 303.384 -0.249 30 20 DBED C[C@H](CN1CCOCC1)NS(=O)(=O)c1ccc(C#N)nc1 165955891 DTGLNGSNIUTQAS-LLVKDONJSA-N 310.379 -0.048 30 20 DBED CC(C)[C@H](C#N)NC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 266295652 BKUBZTUVRWVWFJ-GVFGIDLGSA-N 305.334 -0.187 30 20 DBED C=CCCOCCNC(=O)C(=O)N[C@H]1CCc2nc(C)nn2C1 285963225 APNQFTFTZCHLGJ-LBPRGKRZSA-N 321.381 -0.274 30 20 DBED COC(=O)C[C@H]1C(=O)NCCN1CC(=O)N[C@](C)(C#N)C(C)C 299269256 IAUCUGKVTBCLCS-XHDPSFHLSA-N 324.381 -0.596 30 20 DBED O=C1CN(/C(O)=N/[C@H]2CCS(=O)(=O)C2)CCN1C1CC1 328719607 QFUPNQKEFSHRQF-VIFPVBQESA-N 301.368 -0.606 30 20 DBED C/N=C(/O)CN1CCN(S(=O)(=O)CC[C@@H]2CCOC2)CC1 328768904 QKVNGZBFFKDEHU-LBPRGKRZSA-N 319.427 -0.053 30 20 DBED O=C1CCC(=O)N1CC/N=C(/O)N1CC[C@H](N2CCCC2=O)C1 330103428 ISIHFASUVASHAR-NSHDSACASA-N 322.365 -0.254 30 20 DBED CCOC(=O)CN1CCCN(C(=O)Cn2cnc(C#N)n2)CC1 331460861 MUSOOIDQUCILIB-UHFFFAOYSA-N 320.353 -0.753 30 20 DBED COCCN(CCC#N)S(=O)(=O)NCC(=O)NC(C)(C)C 336906424 FHTBOOCFHGAGQY-UHFFFAOYSA-N 320.415 -0.402 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC[C@@H](S(C)(=O)=O)C1 337809394 LEJWUBIQDMBWFY-WDEREUQCSA-N 323.440 -0.026 30 20 DBED N#Cc1cccc(NCC(=O)NC[C@@H](O)CN2CCOCC2)c1 340064081 QMMAQMMLNDQJNX-OAHLLOKOSA-N 318.377 -0.221 30 20 DBED C=CCOC[C@@H](NC(=O)c1cc([N+](=O)[O-])nn1C)C(=O)OC 360726870 SPRWZXIDOJCJBN-MRVPVSSYSA-N 312.282 -0.198 30 20 DBED CC[C@@H](O)CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 422125302 PHVSUUGFBHFLAH-LLVKDONJSA-N 311.363 -0.276 30 20 DBED CCN(CCC#N)C(=O)CN1CCN(C(C)(C)C(N)=O)CC1 430706858 DUCFJLGFDCHCSF-UHFFFAOYSA-N 309.414 -0.370 30 20 DBED CN(C)C[C@@H](O)CNC(=O)C(=O)Nc1ccc(F)cc1C#N 435635389 JMKGWZOFJKTQNB-NSHDSACASA-N 308.313 -0.325 30 20 DBED C=C[C@@H]1OCC[C@H]1NS(=O)(=O)N(CCOC)CCOC 451857239 GRHWMWQZIGRWEI-NEPJUHHUSA-N 308.400 -0.241 30 20 DBED C#CCN(CC#CC)C(=O)CN1C(=O)C(=O)N(CC=C)C1=O 490679955 WCFOTRNWDIJJAZ-UHFFFAOYSA-N 301.302 -0.552 30 20 DBED C#CCNC(=O)CN1CCN(Cc2ccc(OC)nn2)CC1 491148854 XLTJXNUOPXTJPV-UHFFFAOYSA-N 303.366 -0.648 30 20 DBED CCN1CCOC[C@H]1C(=O)N(C)CCCc1[nH]nc(N)c1C#N 538254988 IFCOETLGUSWOOL-ZDUSSCGKSA-N 320.397 -0.025 30 20 DBED N#Cc1c(NC(=O)CN2CCS(=O)(=O)CC2)n[nH]c1C1CC1 588767584 PVWRBTRXTFMNIJ-UHFFFAOYSA-N 323.378 -0.172 30 20 DBED Cc1cccc(=O)n1C[C@@](C)(O)C(=O)N1CC[C@](O)(CC#N)C1 592850712 YJOACVHASSDSSV-HZPDHXFCSA-N 319.361 -0.215 30 20 DBED CCN1CCN(C(=O)C(=O)N2CCN(CCC#N)CC2)CC1 601415390 FQNRGPAWJRVQCS-UHFFFAOYSA-N 307.398 -0.792 30 20 DBED CC[C@H]1CN(C(=O)C(=O)N2CCN(CCC#N)CC2)CCO1 601424163 ZVGHRWFYZXXWAM-ZDUSSCGKSA-N 308.382 -0.318 30 20 DBED N#CCCN1CCN(C(=O)[C@H]2CCc3nnnn3CC2)CC1 602201095 YTBBYPRKCWSUKM-LBPRGKRZSA-N 303.370 -0.317 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(C)C[C@H](O)C2CC2)C1=O 674814137 KNYGUDFMPJEUSC-JTQLQIEISA-N 309.322 -0.808 30 20 DBED C#CCOc1ccc(NC(=O)C(=O)N2CCNC(=O)C2)cc1 731124059 GWBBUEGMMCLDCM-UHFFFAOYSA-N 301.302 -0.405 30 20 DBED N#Cc1ccc(C(=O)NS(=O)(=O)N2CCOCC2)s1 750728527 IEXYFLRATCNLPX-UHFFFAOYSA-N 301.349 -0.073 30 20 DBED C#C[C@H](NC(=O)C(=O)N(C)Cc1cnn(C)c1)[C@H]1CCCO1 774248518 DWZMUWSHVWNDNQ-QWHCGFSZSA-N 304.350 -0.325 30 20 DBED COC[C@H](NS(=O)(=O)c1ccc(C#N)cc1Cl)C(N)=O 779917680 RIBXVPGHHADXPR-VIFPVBQESA-N 317.754 -0.010 30 20 DBED N#Cc1sc(N2CCN(S(N)(=O)=O)CC2)nc1Cl 787894870 QKPBQJCMFDGDTP-UHFFFAOYSA-N 307.788 -0.006 30 20 DBED C#CCNC(=O)[C@@H](C)OC(=O)[C@@](C)(O)Cn1c(C)cccc1=O 795774493 XNBVXDAWHWRGLG-WBMJQRKESA-N 320.345 -0.411 30 20 DBED C=CCOC[C@@H]1NC(=O)N(C[C@@H]2CN3CCC[C@@H]3CO2)C1=O 804155591 YLGGJWQUKYGVMN-AGIUHOORSA-N 309.366 -0.027 30 20 DBED C#CCCCNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 806911464 YRZPPFLTAKZVSD-ZDUSSCGKSA-N 321.377 -0.634 30 20 DBED C=CCNC(=O)CNC(=O)CNc1ccc(-c2nn[nH]n2)cc1 823919752 PDUUXMNYGCXCRC-UHFFFAOYSA-N 315.337 -0.303 30 20 DBED C=C[C@H](C)ONC(=O)CCc1nc2c(O)nc(=O)n(C)c2[nH]1 846551076 QRYJYZAFWQHZQY-ZETCQYMHSA-N 307.310 -0.083 30 20 DBED C=CCNC(=O)CNC(=O)N1CCC(N2CCOC2=O)CC1 852247293 TZQQAXUINZLPIS-UHFFFAOYSA-N 310.354 -0.085 30 20 DBED C#C[C@H](NC(=O)CN1CCCCS1(=O)=O)[C@H]1CCCO1 879537693 HQQSIRRYYJYMJR-NWDGAFQWSA-N 300.380 -0.291 30 20 DBED C#CC[C@H](CO)NS(=O)(=O)C[C@@]1(OC(C)C)CCOC1 882341287 UAZWYCHWIWDKKH-CHWSQXEVSA-N 305.396 -0.126 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N1C[C@H]2[C@@H](O)CC[C@H]2C1 898140288 MNSRLPQGHWERFZ-FQUUOJAGSA-N 308.378 -0.240 30 20 DBED Cc1[nH]c2ccnn2c(=O)c1CC(=O)NCC#CCN(C)C 913518402 NQOURYRGOGVJNR-UHFFFAOYSA-N 301.350 -0.445 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](N(C)C(=O)Cn2cnnc2O)C1 939396793 KZLBEEQCEQRKEQ-NXEZZACHSA-N 306.326 -0.797 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@@H]2CCN2C(=O)[C@@H]2CCNC2=O)c1 949301964 NCSFJYGEQIPYAY-WDEREUQCSA-N 315.333 -0.647 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CCN(C(=O)C(N)=O)CC1 949383620 HQOUVRQPHXIJSX-STQMWFEESA-N 323.393 -0.192 30 20 DBED N#Cc1cc(C(=O)NC[C@@H]2CCN2C(=O)[C@@H]2CCNC2=O)c[nH]1 949485305 CHZUWWRIVKYYHC-NWDGAFQWSA-N 315.333 -0.647 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@@H]2CNC(=O)[C@@H]2COC(=O)N2)c1 949690313 NUBSPVXDSJORLM-KOLCDFICSA-N 317.305 -0.675 30 20 DBED C#Cc1cncc(C(=O)N2CC[C@@H]2CNC(=O)c2nc[nH]n2)c1 951593295 ATMSMVVCVBBBPN-GFCCVEGCSA-N 310.317 -0.175 30 20 DBED N#Cc1cc(C(=O)N2CC[C@@H]3CCN(C(=O)C(N)=O)[C@H]3C2)c[nH]1 953304855 BDSCVYGRNPJIPP-SKDRFNHKSA-N 315.333 -0.565 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@@H]3CCN(C(=O)C(N)=O)[C@H]3C2)[nH]1 953308738 DCEAQLCMLHLUDI-SKDRFNHKSA-N 315.333 -0.565 30 20 DBED C[C@@H]1CN(C)C[C@H](C(=O)N(C)C2CN(C(=O)[C@H](C)C#N)C2)O1 954645825 QKZKUUXBAVVKPP-NQBHXWOUSA-N 308.382 -0.466 30 20 DBED C=C[C@](C)(CC)C(=O)N1CC(N(C)C(=O)[C@@H]2CNC(=O)N2)C1 955151100 HITXZUWKMZPCME-XHDPSFHLSA-N 308.382 -0.061 30 20 DBED CN1C[C@@H](C(=O)N[C@]2(C)CCN(C(=O)C#CC3CC3)C2)CC1=O 957063847 VSVFUOFEPOFFEC-SUMWQHHRSA-N 317.389 -0.015 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@](C)(NC(=O)c2ccc(=O)n(C)n2)C1 957649211 XQLNGTJDJQKZAC-MEBBXXQBSA-N 317.349 -0.339 30 20 DBED Cc1cc(=O)c(C(=O)NC[C@H]2CN(CC#N)C[C@@H]2O)cn1C 958151568 KAROXSOOCAIVGV-FZMZJTMJSA-N 304.350 -0.760 30 20 DBED C=CCCN1C[C@H](O)[C@H](CNC(=O)c2c[nH]c(C(N)=O)c2)C1 958683119 DMNSITJBWXPVHL-YPMHNXCESA-N 306.366 -0.288 30 20 DBED C#CCCN1C[C@H]2[C@H](NC(=O)Cn3ccc(O)nc3=O)[C@H]2C1 960868989 ZVYJCKBSZZGHMW-YABSGUDNSA-N 302.334 -0.981 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H]2CN(C(=O)C3=CCOCC3)C[C@@H]21 960884517 RWGVRUXVZNBGNC-KWCYVHTRSA-N 319.361 -0.069 30 20 DBED O=C1CC[C@@H](C(=O)N2C[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]3C2)N1 961540609 CZCFOOIBTQSWJO-MJBXVCDLSA-N 315.373 -0.405 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)c2cccc(O)n2)C1 962073289 WFVDILLIBKYQGE-IEBDPFPHSA-N 304.306 -0.752 30 20 DBED C[C@H](C#N)C(=O)N1CC2(C[C@@H](NC(=O)CN3CCCC3)CO2)C1 965703257 VIFSIROPJQIRDB-CHWSQXEVSA-N 320.393 -0.272 30 20 DBED Cc1nnccc1C(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 969223183 BEHAWTHLBPLTCA-KGLIPLIRSA-N 314.345 -0.500 30 20 DBED COc1ccnc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)c1 969486523 QFTJQHMRDRYUDT-BIMULSAOSA-N 318.333 -0.449 30 20 DBED C=CCn1cc(C(=O)N[C@@H](C)C2CN([C@@H](CC)C(N)=O)C2)nn1 970545471 ZRKQRJAENKNGFQ-GWCFXTLKSA-N 320.397 -0.222 30 20 DBED CN(CC#N)[C@H]1CCN(C(=O)c2ccc(S(N)(=O)=O)o2)C1 971862299 YKIDNHBBNCTYFN-VIFPVBQESA-N 312.351 -0.403 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2cn[nH]c2)C1 973918753 UUGGAARDBKJUEJ-MJBXVCDLSA-N 315.377 -0.116 30 20 DBED N#Cc1ccc(C(=O)NCC2[C@@H]3CN([C@@H]4CCNC4=O)C[C@@H]23)[nH]1 978022763 QEXOUMRRTVKTDG-SGMGOOAPSA-N 313.361 -0.318 30 20 DBED C=CCN1C[C@H]2[C@H](CNC(=O)[C@H]3CC(=O)N(CCOC)C3)[C@H]2C1 978241418 ILWQNYPNUROALI-ZQDZILKHSA-N 321.421 -0.039 30 20 DBED Cn1cnn(CCC(=O)N2CC3(CCCN(CC#N)C3)C2)c1=O 981915067 VYXDOYVWXODKTB-UHFFFAOYSA-N 318.381 -0.580 30 20 DBED C#CCN[C@H]1CCN(C(=O)c2coc(S(N)(=O)=O)c2)[C@H]1C 986442003 RYDULIRLVJUKBR-ONGXEEELSA-N 311.363 -0.247 30 20 DBED COc1c(O)nc(O)nc1C(=O)N1CC[C@H](NCC#N)[C@H]1C 987347788 BGQAKIVOSXQFJV-SFYZADRCSA-N 307.310 -0.387 30 20 DBED C[C@@H]1[C@@H](NC(=O)c2cnnn2C)CCN1C(=O)C#CC1CC1 987784934 WVXQNYNTGZUULI-PWSUYJOCSA-N 301.350 -0.052 30 20 DBED CC#CCN1CCC[C@@H](NC(=O)CN2CCNC(=O)C2)[C@H]1C 993695636 BDOOFKTXCYEYDM-ZIAGYGMSSA-N 306.410 -0.589 30 20 DBED COCCN1C[C@@H](C(=O)N2C[C@H](NCC#N)C(C)(C)C2)CC1=O 995874299 UBKVDMCPIWHAQE-STQMWFEESA-N 322.409 -0.169 30 20 DBED C#CCN[C@H]1CN(C(=O)c2nc(O)nc(O)c2OC)CC1(C)C 996512333 NQICMYLPEYMMEJ-VIFPVBQESA-N 320.349 -0.030 30 20 DBED C#Cc1ccc(C(=O)N2CC(NC(=O)[C@@H]3CCNC3=O)C2)cn1 997414395 CLQILMRJDTVJGK-CYBMUJFWSA-N 312.329 -0.860 30 20 DBED COCCn1cc(C(=O)NCC2CN(C(=O)[C@@H](C)C#N)C2)cn1 1003647698 WJZPTJJQAOOVCP-NSHDSACASA-N 319.365 -0.123 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCC1CN(C(=O)Cc2nc[nH]n2)C1 1004536410 VBFIVRXYEKDBQN-NEPJUHHUSA-N 319.365 -0.487 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](NC(=O)Cn2cnnc2O)C(C)(C)C1 1008060575 ZQYGLVRLKPVJMK-UWVGGRQHSA-N 320.353 -0.503 30 20 DBED CC1(C)CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1NC(=O)C(N)=O 1008521178 KOHUYEGTLTXFHI-JTQLQIEISA-N 303.322 -0.662 30 20 DBED C=CCn1cc(C(=O)N[C@H](C)[C@H]2CN(C(C)=O)CCO2)nn1 1009593146 POKOIZOQKMAUNO-ZWNOBZJWSA-N 307.354 -0.170 30 20 DBED CN1CCOC[C@@H]1C(=O)N1CCN(C(=O)C#CC2CC2)CC1 1011024839 JNRSEPSFRSIXLT-CQSZACIVSA-N 305.378 -0.599 30 20 DBED C#CCN1CCC(C(=O)NC2[C@H]3CN(C(=O)COC)C[C@H]23)CC1 1013244985 SJHGQUJWNYPJEC-KBPBESRZSA-N 319.405 -0.449 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2CCN(CCS(C)(=O)=O)C2)c1 1015679256 XCVPVFYUCBXYDI-CQSZACIVSA-N 321.402 -0.088 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCN([C@@H]3CCCNC3=O)C2)nn1 1015812573 XULKXGNIXPWCFU-WCQYABFASA-N 318.381 -0.453 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H](CN(C)Cc2nc(=O)n(C)[nH]2)C1 1017075488 AYXUWXGDASWHOU-RYUDHWBXSA-N 320.397 -0.062 30 20 DBED Cn1c(O)ncc(C(=O)N2[C@H]3CC[C@H]2CN(CC#N)C3)c1=O 1017789300 KWQZRTRRXGYXTH-UWVGGRQHSA-N 303.322 -0.702 30 20 DBED N#Cc1ccc(CN[C@H]2CCN(C(=O)[C@H]3CNC(=O)N3)C2)cc1 1019309037 NXLCEIBVKDDNHU-UONOGXRCSA-N 313.361 -0.070 30 20 DBED C=CCn1cc(C(=O)N[C@H]2C[C@H](NCc3cn(C)nn3)C2)nn1 1020700310 MRZCETCXAVUXPH-XYPYZODXSA-N 316.369 -0.357 30 20 DBED C#CCN(C)[C@@H]1CCCN(C(=O)CC[C@@H]2NC(=O)NC2=O)C1 1027673123 DEOZZIOXWFMDLZ-NEPJUHHUSA-N 306.366 -0.469 30 20 DBED N#CCN1CCC[C@@H]1CNC(=O)c1coc(S(N)(=O)=O)c1 1027977724 XPUPPTUSSQAYPS-SNVBAGLBSA-N 312.351 -0.355 30 20 DBED C#CCN1CCC(C(=O)NC[C@@H]2CCN(CC(N)=O)C2)CC1 1029003045 HHTLNMKODCXWFP-ZDUSSCGKSA-N 306.410 -0.745 30 20 DBED C#CCCN1[C@H]2CC[C@H]1CN(C(=O)CN1CCN(C)C(=O)C1)C2 1029368164 CCRJASQOODSWBU-GJZGRUSLSA-N 318.421 -0.541 30 20 DBED CC[C@H](C(N)=O)N1CCO[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 1035327592 XDWQORUOAZPOIJ-WCQYABFASA-N 319.365 -0.419 30 20 DBED C#CCCN1CCO[C@H](CNC(=O)c2ccnn2CCOC)C1 1035407102 HDDLRDCIOKLCKB-CQSZACIVSA-N 320.393 -0.017 30 20 DBED C=C(C)CN1CC[C@H]2CN(C(=O)CN3CCNC(=O)C3)CC[C@@H]21 1036793104 YRRHAMJLNITKEO-GJZGRUSLSA-N 320.437 -0.083 30 20 DBED COc1ncnc(OC)c1C(=O)N[C@H]1[C@H]2C[C@H]1N(CC#N)C2 1037748770 NUZCVPUMNBPSPX-NGZCFLSTSA-N 303.322 -0.180 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@](O)(CNC(=O)C#CC(C)C)C1 1039667574 FQUMDEUVEZCGSM-PBHICJAKSA-N 320.389 -0.236 30 20 DBED CN1CC[C@@H](C(=O)N[C@@H]2CN(c3ccc(C#N)cn3)C[C@H]2O)C1 1041049887 URRJMZXTPPAMCV-MGPQQGTHSA-N 315.377 -0.429 30 20 DBED N#CCN1CC[C@H]2CCN(C(=O)Cn3c(O)nnc3O)C[C@@H]21 1042327061 UOGBOBAFAJIWEH-UWVGGRQHSA-N 306.326 -0.864 30 20 DBED CN(C(=O)c1cc(C#N)c[nH]1)C1CN(Cc2nc(O)n[nH]2)C1 1042589712 MXDZLWDUHPCLAY-UHFFFAOYSA-N 301.310 -0.334 30 20 DBED CC(C)(C)C#CC(=O)NCC1(O)CN(C(=O)Cc2cnc[nH]2)C1 1042969978 DPHQDKHJCZNNLG-UHFFFAOYSA-N 318.377 -0.309 30 20 DBED C=CCCOCC(=O)NCC1(O)CN(C(=O)c2cc[nH]c2)C1 1043572031 UUROWRHLFKTCAU-UHFFFAOYSA-N 307.350 -0.090 30 20 DBED Cc1noc(C(=O)NCC2(O)CN(C(=O)[C@@H](C)C#N)C2)c1C 1043578597 MZQOSCJOLJXVSJ-QMMMGPOBSA-N 306.322 -0.246 30 20 DBED C=C(C)CN1CC(N(C)C(=O)Cn2ncn3nccc3c2=O)C1 1043997612 HDAHHHFMIBAALR-UHFFFAOYSA-N 316.365 -0.390 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)c2c[nH]c(=O)cn2)C1 1045397136 PIYWHULKDIXXRD-UHFFFAOYSA-N 306.322 -0.961 30 20 DBED C#CCN1[C@H]2CC[C@H]1CN(C(=O)CN1CC(=O)NC1=O)CC2 1045865377 SHXJCWFTLQBIEU-RYUDHWBXSA-N 304.350 -0.763 30 20 DBED N#CCN1CC[C@H](N2CCN(C(=O)c3cncnc3)CC2)C1 1046021753 DWLAGJFSZMTSTK-AWEZNQCLSA-N 300.366 -0.168 30 20 DBED C[C@@H](C(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1)[C@@H]1CCCO1 1046249417 FIGVEOLLOVZUTM-OCCSQVGLSA-N 320.389 -0.096 30 20 DBED CC#CCN1C[C@H]2C[C@H](NC(=O)CN3CCOCC3=O)C[C@H]1C2 1047090299 ZWFXRZGGILRFBN-SOUVJXGZSA-N 319.405 -0.162 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2cnc(O)cc2OC)C1 1047530290 XJSQYWATXASGEX-STQMWFEESA-N 319.361 -0.064 30 20 DBED C=CCCC(=O)N(C)[C@H]1CN(C(=O)c2cnn(CC)n2)C[C@@H]1O 1048524016 VPXFEZKVRKEFIM-STQMWFEESA-N 321.381 -0.092 30 20 DBED C#CCCCC(=O)N(C)[C@H]1CN(C(=O)Cc2ncc[nH]2)C[C@@H]1O 1048758057 VNWAXWWDDXFODF-STQMWFEESA-N 318.377 -0.214 30 20 DBED C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1cn(C)c(=O)nc1O 1049883723 BSPDZPRRGRWBTR-CHWSQXEVSA-N 316.361 -0.202 30 20 DBED CC(C)C#CC(=O)N1CC[C@H]([C@@H](C)NC(=O)c2nnn(C)n2)C1 1050648057 ICLKTPVNVIKZED-NEPJUHHUSA-N 318.381 -0.164 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)[C@H]1CCc2nncn2CC1 1051033489 HRQHVHLYCDGWMY-KBPBESRZSA-N 317.393 -0.319 30 20 DBED C=CCN1CCOC[C@H]1CNC(=O)[C@@H]1CN2CC3CC2(CO1)C3 1051038237 RJJAHGBRJVBLJH-DGNOSDGRSA-N 321.421 -0.147 30 20 DBED C[C@@H](NC(=O)C#CC1CC1)[C@@H]1CCN(C(=O)c2nnn(C)n2)C1 1051342055 MOWYWMOFDRFPIV-ZYHUDNBSSA-N 316.365 -0.410 30 20 DBED C#CCCN1CCC[C@H](NC(=O)Cn2ncn(C)c2=O)CC1 1052506395 DAGMUHJCYBHGIP-ZDUSSCGKSA-N 305.382 -0.424 30 20 DBED COc1c(C(=O)NC[C@@H]2CCC3(CN(CC#N)C3)O2)cnn1C 1053690630 PAULEKLZHRJVHP-NSHDSACASA-N 319.365 -0.085 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)c3cc(=O)c(OC)c[nH]3)CO2)C1 1053872020 QSXBKVIWFYPAGP-NSHDSACASA-N 317.345 -0.410 30 20 DBED C=C(C)CN1CC2(C[C@H](NC(=O)C[C@H]3CC(=O)NC3=O)CO2)C1 1054025641 DKRJTPTUMJZZBQ-RYUDHWBXSA-N 321.377 -0.425 30 20 DBED N#Cc1nccnc1N1CCN(C(=O)[C@H]2CCNC2=O)CC1 1055973849 IFKCQPNHUBYVJT-JTQLQIEISA-N 300.322 -0.867 30 20 DBED Cc1cc(=N[C@@H]2CCN(C(=O)[C@H]3COC(=O)N3)C2)c(C#N)c[nH]1 1056618471 CHXAISPOBURMQD-DGCLKSJQSA-N 315.333 -0.195 30 20 DBED N#Cc1cnc(N[C@@H]2CCN(C(=O)[C@@H]3CCCNC3=O)C2)cn1 1056721563 UXNUVQRRXPITAJ-ZYHUDNBSSA-N 314.349 -0.113 30 20 DBED C=C[C@H](C)[C@@H](C)C(=O)NCCN(CCO)C(=O)c1ncn(C)n1 1057498464 DWRSUBGOCGZDAD-NWDGAFQWSA-N 323.397 -0.176 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)Cn1cccn1 1057517615 YSTVCUXABOKHIF-UHFFFAOYSA-N 306.366 -0.520 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)c1cnnc(O)c1 1057524496 HHZXCCNHSTVXCR-UHFFFAOYSA-N 320.349 -0.608 30 20 DBED C#CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)C1=COCCC1 1057583682 WYNVOHLQKQFXQH-ZDUSSCGKSA-N 324.377 -0.344 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)Cn1nccc1C 1057612656 VEWAIOVMSOCJNE-UHFFFAOYSA-N 324.381 -0.669 30 20 DBED C=CCO[C@H](C)C(=O)N(CCO)CCNC(=O)Cc1cnc[nH]1 1057923321 RBTZJDASODGETA-GFCCVEGCSA-N 324.381 -0.520 30 20 DBED C=C[C@](C)(CC)C(=O)NCCN(CCO)C(=O)c1nnn(C)n1 1058422218 XXFADCHTIDYJOS-CQSZACIVSA-N 324.385 -0.637 30 20 DBED N#Cc1ccc(N[C@H]2CCN(C(=O)Cn3cnnc3O)C2)cn1 1058854460 DBWZIJAAWIKAHD-LBPRGKRZSA-N 313.321 -0.037 30 20 DBED C=C(C)CCC(=O)NCCN(CCO)C(=O)Cn1cncn1 1058884499 WELOJPWDHQGPFG-UHFFFAOYSA-N 309.370 -0.429 30 20 DBED CN1CCOC[C@@H]1C(=O)N[C@H]1C[C@@H](Nc2ccc(C#N)nn2)C1 1059597803 DTJFJLXRGZPVGJ-FRRDWIJNSA-N 316.365 -0.262 30 20 DBED COC(=O)NCC(=O)NCC[C@H]1CCN(C(=O)[C@@H](C)C#N)C1 1060288971 HRBVLFNLXWFNPR-QWRGUYRKSA-N 310.354 -0.143 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CC[C@H](CNC(=O)CNC(N)=O)CC1 1060812842 GTOQEPCWPLFSRZ-GMTAPVOTSA-N 309.370 -0.394 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H]1COCCN1C(=O)CCOC 1061584798 MZBQMWPJWGNGBY-CHWSQXEVSA-N 312.366 -0.595 30 20 DBED N#Cc1nccnc1N1CC[C@H](CNC(=O)[C@H]2CCNC2=O)C1 1061695641 UIIWJQDNSKHPBN-MNOVXSKESA-N 314.349 -0.573 30 20 DBED C=CCOCC(=O)N1CCOC[C@H]1CNC(=O)c1[nH]nnc1C 1061745723 GPBQYDPCEYWKNY-LLVKDONJSA-N 323.353 -0.727 30 20 DBED C=CCCCC(=O)N1CCOC[C@@H]1CNC(=O)c1nnn(C)n1 1061778011 HUHMNOBWOTWHDY-NSHDSACASA-N 322.369 -0.476 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)C12CCN(CC1)C2 1061847520 LPKWKZJXRHWTLC-CHWSQXEVSA-N 320.393 -0.415 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CN(C(=O)CCn2cncn2)CCO1 1064862965 MOVGOUQZKTWEOX-NEPJUHHUSA-N 320.353 -0.829 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCO[C@H](CNC(=O)COCC)C1 1065095259 AOTBCBHHHFHRSP-DOMZBBRYSA-N 314.382 -0.306 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CN(C(=O)CN2CCCC2)CCO1 1065172164 TXLDQKDUGVRULP-QWHCGFSZSA-N 308.382 -0.415 30 20 DBED C=C(C)CCC(=O)NC[C@H]1CN(C(=O)Cn2nccn2)CCO1 1065194893 HVPGRKQHUVULNY-ZDUSSCGKSA-N 321.381 -0.022 30 20 DBED Cn1nnc(C(=O)N[C@]2(C)CCN(c3ncccc3C#N)C2)n1 1065317106 VFIQNYCLWLUVJR-CQSZACIVSA-N 312.337 -0.124 30 20 DBED CN(C(=O)[C@@H]1CCOC1)[C@H]1CN(c2ncccc2C#N)C[C@@H]1O 1065573264 OTDOTSAYRFYSFK-RDBSUJKOSA-N 316.361 -0.002 30 20 DBED N#Cc1cnccc1N1C[C@H]2CN(C(=O)Cn3cnnn3)C[C@H]2C1 1065958280 HJSQYRZDOFSIAM-BETUJISGSA-N 324.348 -0.465 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)CCCN(C)C(=O)[C@@H]1CNC(=O)N1 1067431494 RFKMXHWDPRLQEJ-RYUDHWBXSA-N 324.381 -0.987 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](CNC(=O)c3ccncn3)C2)cn1 1067675404 BDXVDOIZVXKTNI-ABAIWWIYSA-N 324.344 -0.030 30 20 DBED C#CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2cnnn2C)C1 1069919624 ZMLWNTDNHGUTRU-YPMHNXCESA-N 314.353 -0.915 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@@H](OC)C(C)C)C[C@@H]1n1ccnn1 1070267884 VUNVWIVCKINJHC-RDBSUJKOSA-N 305.382 -0.076 30 20 DBED C=CCN[C@@H]1CN(C(=O)[C@@H]2COCCO2)C[C@H]1c1cncn1C 1070624873 MJQRBCJUVFOXNZ-NFAWXSAZSA-N 320.393 -0.095 30 20 DBED C=CCN1C[C@H]2C[C@H]3CN(C(=O)c4cn(C)nn4)C[C@@]3(C1)O2 1070795205 MQHVKWPVLQZPIV-YWPYICTPSA-N 303.366 -0.084 30 20 DBED N#CCN1CCNC(=O)CCN(C(=O)c2cccc(O)n2)CC1 1070949901 DKVMJLJVGUJDFC-UHFFFAOYSA-N 317.349 -0.425 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)c2n[nH]c(C)c2O)CC1 1070955354 SMERSIQFHXALRL-UHFFFAOYSA-N 321.381 -0.126 30 20 DBED C=C(C)CN1CCNC(=O)CCN(C(=O)c2cnn(C)n2)CC1 1071008050 GGSPZJALAJJJMU-UHFFFAOYSA-N 320.397 -0.345 30 20 DBED C=CCOCC(=O)N1C[C@H](C)[C@H](NC(=O)c2cnn(C)c2N)C1 1071809027 OYTQZCVQWHLASH-CMPLNLGQSA-N 321.381 -0.218 30 20 DBED C[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1NC(=O)CC(N)=O 1071917707 FMGWAGXJCJNLMH-GZMMTYOYSA-N 303.322 -0.662 30 20 DBED Cc1nn(CC(=O)N[C@@H]2CC[C@H](C)N(CC#N)C2)c(=O)n1C 1072033103 KGECWOMSQNUNJF-CMPLNLGQSA-N 306.370 -0.617 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](C)[C@@H](NC(=O)CCNC(N)=O)C1 1072049467 UFNKIQNYVKBFMD-NEPJUHHUSA-N 308.382 -0.333 30 20 DBED CNC(=O)NCCC(=O)N[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1C 1072050220 ZIOBUXDPUITQDV-YPMHNXCESA-N 320.393 -0.318 30 20 DBED C#CCCN1CCCO[C@H](CNC(=O)c2ccc(=O)n(C)n2)C1 1073880384 HVLQNWNYFDXQOS-CYBMUJFWSA-N 318.377 -0.376 30 20 DBED C=CCOCC(=O)N1CCC(O)(CNC(=O)c2cn[nH]c2)CC1 1074515877 QPBKVUDYSVUIJE-UHFFFAOYSA-N 322.365 -0.304 30 20 DBED C=CC(C)(C)C(=O)N[C@@H](C)CCNC(=O)C[C@@H]1NC(=O)NC1=O 1077122024 XFNBOKRMIRBAMH-UWVGGRQHSA-N 324.381 -0.192 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2c(NC(C)=O)c[nH]c2C)C1 1077267778 CRRIFCUIYZUIPM-CHWSQXEVSA-N 304.350 -0.310 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)c2cn([C@H]3CCOC3)nn2)C1 1077964285 WHEOVKNVQOCXEO-DMDPSCGWSA-N 307.354 -0.800 30 20 DBED Cc1nc(C)c(CC(=O)N[C@@H]2CN(CC#N)C[C@H]2O)c(O)n1 1078168776 LOXQTDPFQNSRMR-VXGBXAGGSA-N 305.338 -0.974 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)Cc2cc[nH]n2)C1 1081369450 XJCZCMMQPYJCAM-WCQYABFASA-N 306.366 -0.146 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)c2cnccn2)C[C@H]1O 1081441914 NTBULTYQWIUIQJ-GXTWGEPZSA-N 316.361 -0.171 30 20 DBED C=CCCCC(=O)N1C[C@H](CNC(=O)Cc2nc[nH]n2)[C@@H](O)C1 1081790136 AGSYDHCTACSQTE-RYUDHWBXSA-N 321.381 -0.361 30 20 DBED C=C(Cl)CN1C[C@@H](NC(=O)[C@@H]2CNC(=O)N2)[C@H](OC)C1 1082081704 RYTSXGHVVBBZMJ-IVZWLZJFSA-N 302.762 -0.764 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H]2CN(CC(=O)N(C)C3CC3)C[C@@H]21 1083024655 VNHCZBWKQMVEOA-KWCYVHTRSA-N 320.393 -0.322 30 20 DBED Cc1ccn(CC(=O)N2CCO[C@@H]3CN(CC#N)C[C@@H]32)c(=O)c1 1083210050 IPCOORAJRWOOJX-UONOGXRCSA-N 316.361 -0.408 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)c2cn(CCOC)nn2)C1 1083453059 OBQKIJUCFNUFAR-YPMHNXCESA-N 309.370 -0.725 30 20 DBED C#CCN1CC[C@@H]2CCN(C(=O)CC[C@@H]3NC(=O)NC3=O)C[C@@H]21 1085089553 KTMOFWZJYWTJIR-AGIUHOORSA-N 318.377 -0.469 30 20 DBED N#CCN[C@@H]1CC[C@H](CNC(=O)c2nccnc2C(N)=O)C1 1086870593 MRNUAJAJTOGLBK-VHSXEESVSA-N 302.338 -0.413 30 20 DBED C#CCCN1CC[C@H](NC(=O)CN2CCC(=O)NC2=O)[C@H]1CC 1087786081 LFPMOCGCFZEFGQ-QWHCGFSZSA-N 320.393 -0.079 30 20 DBED N#Cc1ccc(NCC2(CCNC(=O)CC(N)=O)CC2)nn1 1089922300 SWBVRUNJFQLXPJ-UHFFFAOYSA-N 302.338 -0.078 30 20 DBED CC(=O)NCC(=O)N1CC[C@H](N=c2cc[nH]cc2C#N)[C@@H]1C 1090195231 RQONPZVQAPPYIY-GWCFXTLKSA-N 301.350 -0.087 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cnc3[nH]nnc3c2)[C@@H](O)C1 1090325387 BFBORLZRUVVNFS-JQWIXIFHSA-N 300.322 -0.849 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2cc(OCC)n[nH]2)[C@@H](O)C1 1090354852 MLCRJFHPEULICG-AAEUAGOBSA-N 306.366 -0.003 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2cnc(O)cc2OC)[C@@H](O)C1 1090582450 APCRFHJMKCBPAS-NEPJUHHUSA-N 305.334 -0.406 30 20 DBED Cn1nc(C(=O)N[C@@H]2CCN(CC#N)C[C@H]2O)c2c1CCCC2 1090584990 XGHJJNOUIPJNRD-TZMCWYRMSA-N 317.393 -0.013 30 20 DBED CC#CCN1CC[C@H](NC(=O)CN2CCCCCC2=O)[C@H](O)C1 1090790024 KSZWHKOQNVQVMZ-LSDHHAIUSA-N 321.421 -0.036 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)c2cn(C)c(=O)nc2O)[C@@H](O)C1 1090804855 LFRRACVLLKAGNI-RYUDHWBXSA-N 322.365 -0.773 30 20 DBED CC[C@H](OC)C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1091087744 PTQQJMJLMGAMTQ-WOPDTQHZSA-N 305.338 -0.561 30 20 DBED COCCC(=O)N[C@H]1CCN(c2cncc(C#N)n2)C[C@@H]1O 1092129416 AANVCEZUUINPEJ-RYUDHWBXSA-N 305.338 -0.559 30 20 DBED CCc1nc(C#N)cc(NC2CC(CNC(=O)C(N)=O)C2)n1 1092260593 JAXGRJKZRVKRFT-UHFFFAOYSA-N 302.338 -0.297 30 20 DBED CC(=O)N1CCC[C@@H]1C(=O)NCCNc1ccc(C#N)nn1 1093684227 ZKGRGOWCQHQFFM-GFCCVEGCSA-N 302.338 -0.113 30 20 DBED C#CCO[C@@H](C)C(=O)NCCNc1ncc(C(=O)OC)cn1 1093877955 BBXQHKYXZRIFPX-JTQLQIEISA-N 306.322 -0.170 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)c3c(C)ncn3C)CC2=O)C1 1094747365 QIPWDHXYCAAKSU-LBPRGKRZSA-N 317.393 -0.071 30 20 DBED CC(=O)NCC(=O)NCC1CCN(c2ccc(C#N)nn2)CC1 1095334255 IEBOCCAMFCMJSC-UHFFFAOYSA-N 316.365 -0.183 30 20 DBED CN(CCCNC(=O)C(C)(C)C(N)=O)c1ccnc(C#N)n1 1095662217 MBNBRVPLNUYBJK-UHFFFAOYSA-N 304.354 -0.198 30 20 DBED CCNC(=O)CC(=O)N[C@H]1CCCN(c2cncc(C#N)n2)C1 1096161702 URFDVGPUPWMCBA-NSHDSACASA-N 316.365 -0.041 30 20 DBED N#Cc1nc(=N[C@H]2CCN(C(=O)C(=O)NCC3CC3)C2)cc[nH]1 1096953870 PBARLDADDDTZRU-NSHDSACASA-N 314.349 -0.691 30 20 DBED C#CCCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cn(CC(N)=O)nn1 1098463698 BMMLVWRIJSNZCA-WZRBSPASSA-N 316.365 -0.878 30 20 DBED C#CCNCc1cn([C@@H]2CCN(C(=O)Cn3ccnc3)C2)nn1 1098790322 SFYSZFQACQTIJG-CQSZACIVSA-N 313.365 -0.329 30 20 DBED C=CCOCCCC(=O)N[C@H]1CCN(CCCO)C[C@H]1O 1099766812 QNERAELNCGDJIB-UONOGXRCSA-N 300.399 -0.097 30 20 DBED C=CCCCN1CC[C@@H](NC(=O)CCNC(=O)NC)[C@@H](O)C1 1099813071 JNUVJLOGCHWHAG-OLZOCXBDSA-N 312.414 -0.177 30 20 DBED CCS(=O)(=O)CC(=O)NCCN(C)c1cnc(C#N)cn1 1100147959 FJPJGVPNRTVVNB-UHFFFAOYSA-N 311.367 -0.665 30 20 DBED N#CCNC(=O)CNC1CC(CNC(=O)CC[C@@H]2CCOC2)C1 1100234306 KMBQZDDUBLFORJ-IYXRBSQSSA-N 322.409 -0.073 30 20 DBED C=CCNC(=O)[C@H](C)NC1CC(CNC(=O)CC(=O)NC)C1 1100273803 JMYXAFNMOKLVMR-UNXYVOJBSA-N 310.398 -0.702 30 20 DBED CN(CCNC(=O)[C@H]1CCC(=O)NC1)c1nccnc1C#N 1100403833 ABNTWEUCQDHNES-JTQLQIEISA-N 302.338 -0.573 30 20 DBED CCN(CCNC(=O)[C@H]1CCNC1=O)c1nc(C)cc(C#N)n1 1100694705 JKRXHXSSSNOYOG-LBPRGKRZSA-N 316.365 -0.265 30 20 DBED CCCN(CCNC(=O)[C@@H]1CCC(=O)N1)c1ccnc(C#N)n1 1101163409 NEYYGPAWYZMPOB-NSHDSACASA-N 316.365 -0.041 30 20 DBED C#CCOCCC(=O)N1C[C@H]2CN([C@@H]3CCNC3=O)C[C@@]2(C)C1 1101235343 RWTQRDROZPJULD-CPUCHLNUSA-N 319.405 -0.305 30 20 DBED Cn1nnc(C(=O)NCCN(c2ccc(C#N)nc2)C2CC2)n1 1101423567 BRKBQEMAJVJPQI-UHFFFAOYSA-N 312.337 -0.124 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN([C@H](C)C(=O)NC(N)=O)C[C@H]1C 1101949114 UJRYYAYKQVQQME-JHJVBQTASA-N 322.409 -0.087 30 20 DBED CC[C@H](CNC(=O)Cn1cnnc1O)Nc1cnc(C#N)cn1 1103066276 SWKRHWIWOOZQPU-SECBINFHSA-N 316.325 -0.348 30 20 DBED CC[C@@H](CNC(=O)[C@H]1CNC(=O)N1)Nc1cnc(C#N)cn1 1103277993 SGVBBEUEZCLSNX-WCBMZHEXSA-N 303.326 -0.664 30 20 DBED CC[C@@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)Nc1ccc(C#N)nn1 1103305571 HAHVARVWRHXOQU-GDPRMGEGSA-N 302.338 -0.224 30 20 DBED C[C@@](CN=c1cc[nH]c(C#N)n1)(NC(=O)c1nc[nH]n1)C1CC1 1103539427 UOAIDARVEPWICI-AWEZNQCLSA-N 312.337 -0.101 30 20 DBED C[C@@H](CNC(=O)[C@H]1COC(=O)N1)CNc1ccc(C#N)nn1 1103945236 NEQVKIANRHEFAI-PSASIEDQSA-N 304.310 -0.379 30 20 DBED C[C@H](CNc1ccc(C#N)cn1)N(C)C(=O)[C@H]1CNC(=O)N1 1104785166 ODHJACZGAMXQTE-MWLCHTKSSA-N 302.338 -0.107 30 20 DBED Cc1nsc(N(C)CCN(C)C(=O)Cn2ncnn2)c1C#N 1105472856 IQFXKTLBXQGKRH-UHFFFAOYSA-N 320.382 -0.096 30 20 DBED Cc1cc(C(=O)NC[C@H](O)CNc2cncc(C#N)n2)no1 1105708940 DPHBAVYFNPWVQX-SNVBAGLBSA-N 302.294 -0.153 30 20 DBED N#Cc1cccnc1NC[C@H](O)CNC(=O)CN1CCCC1=O 1105716106 JARGJJQXHVSPQG-GFCCVEGCSA-N 317.349 -0.535 30 20 DBED Cc1cc(C(=O)NC[C@H](O)CN=c2cc[nH]cc2C#N)ncn1 1105788152 GATNWSIIXILPCZ-GFCCVEGCSA-N 312.333 -0.324 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)[C@H]2CCCNC2=O)nc1 1105999336 OYWPPFYXZACFPH-RYUDHWBXSA-N 317.349 -0.632 30 20 DBED N#Cc1cccnc1NC[C@H](O)CNC(=O)[C@@]1(F)CCOC1 1106073103 QGSMQNDMBSNRHM-SMDDNHRTSA-N 308.313 -0.029 30 20 DBED C#CCNC[C@@H]1CN(C(=O)CCS(=O)(=O)NC)C[C@H]1C 1106116923 SWKQFJFDISNSCQ-VXGBXAGGSA-N 301.412 -0.757 30 20 DBED C#CCCCC(=O)NC[C@@]1(C)CN([C@@H]2CCNC2=O)CCO1 1107901281 MJPBFAOTUZJZDY-CJNGLKHVSA-N 307.394 -0.115 30 20 DBED COCc1nn(C)cc1C(=O)NC[C@@]1(C)CN(CC#N)CCO1 1108036634 VIRRDNPQHZRIOW-HNNXBMFYSA-N 321.381 -0.089 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)[C@@H](C)OCC3CC3)CC2=O)C1 1108522235 PDGGIRPZNGADEI-TZMCWYRMSA-N 319.405 -0.164 30 20 DBED Cc1nsc(N(C)C[C@@H](C)NC(=O)CNC(N)=O)c1C#N 1108816009 HTPLCZFDFXRZSP-SSDOTTSWSA-N 310.383 -0.068 30 20 DBED COC[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1109057677 RMCPQVINHBLCFP-NDBYEHHHSA-N 308.382 -0.370 30 20 DBED C[C@H](CN(C)c1ccnc(C#N)n1)NC(=O)[C@H]1CCC(=O)N1C 1109187616 OCRCZFFYWMSMIA-GHMZBOCLSA-N 316.365 -0.090 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cn1nccn1 1109340202 NDJJDCSCFHDAGD-RDBSUJKOSA-N 303.366 -0.351 30 20 DBED CNC(=O)NCCC(=O)N(C)CCCNc1ccc(C#N)nn1 1109438186 FXKYMFSBYSGQND-UHFFFAOYSA-N 319.369 -0.072 30 20 DBED N#Cc1ccc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)C2(C(N)=O)CC2)cn1 1109739909 IBVYAPGOLQFWFW-JIMOISOXSA-N 311.345 -0.088 30 20 DBED N#Cc1cnc(N2CC[C@@](O)(CNC(=O)C#CC3CC3)C2)cn1 1111070943 NBIMSTHJCMHYLD-MRXNPFEDSA-N 311.345 -0.181 30 20 DBED N#Cc1cncc(NCCN(CCO)C(=O)[C@H]2CCCO2)n1 1111412747 CIYSUFJAJWBEFO-GFCCVEGCSA-N 305.338 -0.240 30 20 DBED Cc1cc(=NCCN(CCO)C(=O)c2cc[nH]n2)c(C#N)c[nH]1 1111426937 QSEWYMKRTROMCA-UHFFFAOYSA-N 314.349 -0.047 30 20 DBED C=CCCC(=O)N1CCN(CC(=O)N[C@@H](C)C(=O)N(C)C)CC1 1112690484 HMMINHQNZAFIEK-ZDUSSCGKSA-N 324.425 -0.310 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)C[C@H]2COC(=O)C2)CC1 1112767622 YWJRLHUTZXEVBQ-QWHCGFSZSA-N 321.377 -0.778 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)c2cn(CC)cn2)CC1 1113547027 ZTKGJCJMHBIWGX-CYBMUJFWSA-N 317.393 -0.201 30 20 DBED C#CCOCCC(=O)NC1[C@@H]2CN([C@H](C)c3nncn3C)C[C@@H]12 1114268364 KHDRFXMQHYGRRG-JHJVBQTASA-N 317.393 -0.038 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H]1[C@@H]2CN(Cc3cnn(CC)n3)C[C@@H]21 1114270138 ALELSABZNNULFD-RZFFKMDDSA-N 317.393 -0.117 30 20 DBED C=C(C)CN1C[C@H]2C(NC(=O)[C@H](C)NS(=O)(=O)CC)[C@@H]2C1 1114311745 SPRMMNIUAQFVCQ-QJPTWQEYSA-N 315.439 -0.063 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)CCn3ccnc3)[C@H]2C1 1114652381 LYUORPUUNOREDU-FOLVSLTJSA-N 302.378 -0.031 30 20 DBED C[C@H](CCCN=c1cc[nH]c(C#N)n1)NC(=O)C(C)(C)C(N)=O 1115011211 TVNSWTZCUYQOCR-SNVBAGLBSA-N 318.381 -0.022 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N[C@H]1CCc2nc(C)nn2C1 1117285211 LFRGWBFTQZMGGN-ZDUSSCGKSA-N 313.361 -0.497 30 20 DBED CN1C(=O)CN(CC(=O)NCC2(NCC#N)CCCCC2)C1=O 1120005367 OPDISDAIMRGIEN-UHFFFAOYSA-N 321.381 -0.187 30 20 DBED C#CCNC1(CNC(=O)CN2C(=O)CN(C)C2=O)CCCCC1 1120109538 CDQKWMSMCAOIQU-UHFFFAOYSA-N 320.393 -0.078 30 20 DBED COc1ccnc(N[C@@H](CO)CNC(=O)CSCC#N)n1 1121079999 XWMUCIPGDMLGFR-SECBINFHSA-N 311.367 -0.369 30 20 DBED Cc1cc(=N[C@@H](CO)CNC(=O)c2cc[nH]n2)c(C#N)c[nH]1 1121145245 WWFVKHFOFXBGQV-LLVKDONJSA-N 300.322 -0.391 30 20 DBED Cc1cc(CC(=O)NC[C@H](CO)N=c2cc[nH]cc2C#N)no1 1121228042 AKKSZYBOCRRJCQ-CYBMUJFWSA-N 315.333 -0.197 30 20 DBED Cc1ncn(C)c1C(=O)NC[C@@H](CO)Nc1nccnc1C#N 1122147548 MLONRLAMMCEYPE-JTQLQIEISA-N 315.337 -0.407 30 20 DBED Cc1cncn1CC(=O)NC[C@@H](CO)Nc1cncc(C#N)n1 1122240149 TUEVSARZISFIHM-LBPRGKRZSA-N 315.337 -0.558 30 20 DBED CCC[C@H](OCC)C(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1 1122431225 UNWSHCIIIUIYMD-RYUDHWBXSA-N 321.381 -0.136 30 20 DBED C[C@@H]1CCN(CC(=O)NC[C@@H](CO)Nc2nccnc2C#N)C1 1122527509 OYSIHFWEZWKWJW-NEPJUHHUSA-N 318.381 -0.421 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CCCN(c2cncc(C#N)n2)[C@H]1C 1123520504 AVNMAPQYILVLOG-GXFFZTMASA-N 316.365 -0.042 30 20 DBED CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)CSCC#N 1123787369 NHYDHDWYOKQXNS-SECBINFHSA-N 315.399 -0.817 30 20 DBED N#CCSCC(=O)NCCNC[C@@H]1CCCS(=O)(=O)C1 1123792308 ROMKBTPMVBQNBP-NSHDSACASA-N 319.452 -0.226 30 20 DBED CCO[C@@H](CC)C(=O)N(C)C[C@H](O)CN=c1cc[nH]c(C#N)n1 1124136370 YQCWGAUPBLNWFI-NEPJUHHUSA-N 321.381 -0.184 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]cc1C#N)C(=O)CC1(O)CCC1 1124283756 PLIYEQMPOMNEMW-CYBMUJFWSA-N 318.377 -0.089 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]cc1C#N)C(=O)c1cnco1 1124623625 XLKKXRNAWBRASE-NSHDSACASA-N 301.306 -0.092 30 20 DBED CN(C[C@@H](O)CNc1ccc(C#N)nn1)C(=O)Cc1cnoc1 1124689822 ZWXUYCUSLCZIEJ-LBPRGKRZSA-N 316.321 -0.190 30 20 DBED COC[C@@H](C)C(=O)N(C)C[C@@H](O)CN(C)c1ccc(C#N)nn1 1124989443 WMSLEOXVDWLQTF-YPMHNXCESA-N 321.381 -0.114 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)c1ocnc1C 1125317761 XOBTUNKJAUFKAN-UHFFFAOYSA-N 309.326 -0.686 30 20 DBED CS(=O)(=O)NCCC(=O)NCCNCC#Cc1ccccc1 1128600871 GXWSMUCPJBLFGL-UHFFFAOYSA-N 323.418 -0.317 30 20 DBED CCCc1cc(C(=O)NCCNCC(=O)NCC#N)ccn1 1129939160 PPMDYQFMGPGMMI-UHFFFAOYSA-N 303.366 -0.007 30 20 DBED C[C@H](C#N)C(=O)NCc1nc([C@H]2CC[C@@H](CNCC#N)O2)n[nH]1 1130769295 BMZUUWDTTWIFJJ-OUAUKWLOSA-N 317.353 -0.086 30 20 DBED CC#CCN1CCNC(=O)CCN(C(=O)CN(C)C(C)=O)CC1 1131334357 PHBGTXHZQBMFMR-UHFFFAOYSA-N 322.409 -0.862 30 20 DBED C#CCOCCC(=O)N1C[C@@H](C)O[C@@]2(CCN(CC(N)=O)C2)C1 1131662743 XHJHRTXVVKDWML-CZUORRHYSA-N 323.393 -0.797 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CC[C@H](C)N(CC(=O)NCC)C1 1131981213 UZJPKOLRTBFCTB-STQMWFEESA-N 322.409 -0.769 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)[C@@H](C)c1cncnc1 1132821841 CWQGYJHQEUBTAL-RYUDHWBXSA-N 305.382 -0.023 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1occc1CN(C)C 1132983952 RQRYBPCTCMMBHZ-UHFFFAOYSA-N 306.366 -0.590 30 20 DBED C=CCOCC(=O)N[C@@H](C)C[C@@H](C)NCC(=O)NC(=O)NC 1133909323 KACSUYWYLCLUGA-MNOVXSKESA-N 314.386 -0.483 30 20 DBED C=CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)c1cnnc(O)c1 1134674362 ARWUOICBXCYHCB-GHMZBOCLSA-N 321.381 -0.029 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)c1cnc(C)n1C 1135282282 OLVUFTHOQJABTE-RYUDHWBXSA-N 319.409 -0.036 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)C[C@@H](C)COC 1136118945 HYOJEFIQAJONHS-LLVKDONJSA-N 314.386 -0.623 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@@H]1CCO[C@@H](C(C)C)C1 1146769836 NVRJEANGGJKUTQ-ZIAGYGMSSA-N 309.410 -0.107 30 20 DBED COCC#CCN1CCC2(C1)CN(C(=O)[C@@H]1C[C@@H]1C(=O)OC)C2 1147173284 KMESPIUWZRQTLX-KGLIPLIRSA-N 320.389 -0.020 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1ccc2nccn2c1 1147434714 ILPFWZNXKHRDSM-UHFFFAOYSA-N 300.322 -0.707 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN([C@@H]2CCNC2=O)CCCO1 1149721265 LETMKBGSKKQEGH-ZIAGYGMSSA-N 323.393 -0.878 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)[C@@]2(C)CCNC(=O)C2)C1 1149886815 CGRHEWDEOXBHLT-BBRMVZONSA-N 307.394 -0.257 30 20 DBED COCC#CCNCCNC(=O)CCNC(=O)[C@@H]1CCCO1 1153598040 JUWJQGKVJXSRGC-ZDUSSCGKSA-N 311.382 -0.973 30 20 DBED C=CCNC(=O)NC(=O)CNCCCNC(=O)[C@@H]1CCCO1 1154412358 MFWMYGQXMIGPPQ-NSHDSACASA-N 312.370 -0.727 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)[C@H]1CCC(=O)N1C 1154795858 LAJWFHAXBRAUCG-VXGBXAGGSA-N 323.397 -0.926 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)[C@H](COC)OC 1155105891 ZFJJADWBMWPXTJ-NEPJUHHUSA-N 314.386 -0.886 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)C[C@@](C)(O)C1CC1 1156777010 IINJAJDORXJMAJ-BLLLJJGKSA-N 309.410 -0.229 30 20 DBED N#Cc1cc(C(=O)NCCCN[C@H]2CCC(=O)NC2=O)c[nH]1 1156841379 KEBMJDRDRLAOFA-NSHDSACASA-N 303.322 -0.599 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)C(=O)NCC(F)F)C[C@H]21 1177042694 RCWVUXHMSJZKGA-GHMZBOCLSA-N 315.320 -0.697 30 20 DBED C#CCCN1CCO[C@@H]2CCN(C(=O)CCCC(N)=O)C[C@@H]21 1177162460 LPBBAWZMAOKDEZ-UONOGXRCSA-N 307.394 -0.033 30 20 DBED C=CCNC(=O)NC(=O)CN[C@H]1CCN(C(=O)C(F)F)[C@H]1C 1177977960 PBDQXQNYGWPENH-IUCAKERBSA-N 318.324 -0.158 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2ccn(C)n2)[C@H]1C 1180127796 HLANCIFMCDBANS-RYUDHWBXSA-N 303.366 -0.638 30 20 DBED C[C@@H](C(=O)N1CC[C@@H](NCC(=O)NCC#N)C1)n1cccc1 1182023472 KEIBKAXNDUBHGS-QWHCGFSZSA-N 303.366 -0.121 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2c[nH]nc2CC)C1 1183878018 ZDZVRGBZLDMENJ-VXGBXAGGSA-N 317.393 -0.086 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](N(C)[C@@H](C)C(=O)N(C)C)C1 1189768768 BQFTURSYKRRFGM-QWHCGFSZSA-N 322.409 -0.865 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)C[C@H](C)SC)C1 1192313211 OYAHMNDBBUWEGY-YNEHKIRRSA-N 300.424 -0.061 30 20 DBED C#CCC1(C(=O)N[C@@H]2CN(CCn3cncn3)C[C@H]2O)CCC1 1193691664 SNADLQDJNNMWFD-ZIAGYGMSSA-N 317.393 -0.367 30 20 DBED Cc1nccc(C(=O)N2CC[C@@H](N(C)CC(=O)NCC#N)C2)n1 1194060830 QZSWAAACJCHYRU-GFCCVEGCSA-N 316.365 -0.429 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H](CC2CCC2)NC(C)=O)C1 1195588010 VCDMBDCKYNCPHZ-RBSFLKMASA-N 307.394 -0.524 30 20 DBED C=CCNC(=O)[C@H](C)N1CCCN(C(=O)c2nnn(C)n2)CC1 1196782648 PKDYHOJGAOUOQT-NSHDSACASA-N 321.385 -0.951 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)C2CCCC2)C1 1197650834 SMYKLUAQQBVGCA-NWANDNLSSA-N 321.421 -0.277 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)[C@H]2CCCO2)CCCO1 1199762678 OEQZDFGDJSVGBL-ZIAGYGMSSA-N 323.393 -0.878 30 20 DBED C=CCNC(=O)[C@@H](C)NC1CCN(C(=O)[C@H]2COC(=O)N2)CC1 1200348560 AIADIGOFFHIFQG-ZYHUDNBSSA-N 324.381 -0.634 30 20 DBED C=CCNC[C@H]1CN(C(=O)c2cn(CCOC)nn2)CCCO1 1200478669 LCRJCBPYBXMXQR-ZDUSSCGKSA-N 323.397 -0.069 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCCO[C@@H](CNCCOC)C1 1200721741 OPMATGHXZMVMOX-HOTGVXAUSA-N 323.437 -0.063 30 20 DBED C#CCNC[C@@H]1CN(C(=O)c2ccc(C(N)=O)[nH]2)CCCO1 1201421149 SNXZJAKKKNWIFK-LLVKDONJSA-N 304.350 -0.433 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CCN(C(=O)c2cnn(C)n2)CC1 1202939629 HAUVVNGGILMIBZ-LLVKDONJSA-N 318.381 -0.853 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@@H](NCc2csnn2)C1 1207869994 OCUNBLCCFLBYEK-LLVKDONJSA-N 321.406 -0.242 30 20 DBED COCCS(=O)(=O)CC(=O)N1CCC[C@H](NCC#N)C1 1208435906 QVNZILBHNGSRMG-NSHDSACASA-N 303.384 -0.848 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)c2c[nH]nc2C)C1 1208870367 WPAIZBBGDDVMNL-LBPRGKRZSA-N 303.366 -0.338 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)c2cnc(O)n2C)C1 1208944318 SIBOGPKOBPFSED-NSHDSACASA-N 321.381 -0.378 30 20 DBED CCN1CCO[C@H](C(=O)N2CCC[C@H](NCC#CCOC)C2)C1 1211177536 WZPCGJSMXMJZMQ-HOTGVXAUSA-N 323.437 -0.063 30 20 DBED C=CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)C2CC2)C[C@H]1C 1214021767 ULCWQMSKJXCIIM-ZYHUDNBSSA-N 308.382 -0.155 30 20 DBED C[C@@H]1CN(C(=O)C[C@H]2COC(=O)C2)C[C@H]1NCC(=O)NCC#N 1214441388 KXSHJLQVHKNDFP-IJLUTSLNSA-N 322.365 -0.984 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2c[nH]nc2C)C[C@H]1C 1215277140 KOCFCHOMKPBLBX-SCDSUCTJSA-N 317.393 -0.094 30 20 DBED C#CCCCC(=O)N1CCO[C@@H]2CN([C@H](C)C(=O)NC)C[C@@H]21 1217758697 QWGVLRJXQSSLLM-HZSPNIEDSA-N 307.394 -0.164 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)/C=C\c2ccco2)C1 1219113722 GGXBLFPLYBGNMY-QJTIAFMVSA-N 317.345 -0.797 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)CCCCOC)C1 1219333275 WNMMSPSANZBNQJ-OLZOCXBDSA-N 313.398 -0.733 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)c2ncccc2O)C1 1219497477 PPHQVGBNXZSMGW-YPMHNXCESA-N 307.350 -0.235 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)C/C=C(\C)C=C)C1 1220169666 PPWRLQRACWUCTA-VPSUEUMYSA-N 319.405 -0.192 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)CNC(=O)CCC(C)C)C1 1220559937 IKTXXRUMCFWHQW-KGLIPLIRSA-N 309.410 -0.277 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)C(=O)Nc2cc(C)on2)C1 1220973964 ITLYSPZRBNOWSW-MNOVXSKESA-N 308.338 -0.341 30 20 DBED COCC#CCN1CCC(NC(=O)CN2CCOCC2=O)CC1 1227825183 HBMGQWKORJGXJU-UHFFFAOYSA-N 323.393 -0.924 30 20 DBED N#CCN1CCC(NC(=O)CNC(=O)c2cccnc2)CC1 1229306021 OCNUUXMWPUTYPS-UHFFFAOYSA-N 301.350 -0.084 30 20 DBED CN(C[C@@H]1CCN1CC(=O)NCC#N)C(=O)c1ccc(C#N)[nH]1 1233681728 BKHUVNZHCDUSIQ-LBPRGKRZSA-N 314.349 -0.328 30 20 DBED CN(C[C@H]1CCN1CC(=O)NC(N)=O)C(=O)c1ccc(C#N)[nH]1 1233695324 RJDFYPJJEPHKLM-SNVBAGLBSA-N 318.337 -0.772 30 20 DBED C#CCOCCC(=O)N(C)C[C@@H]1CCN1Cc1nnn(C)n1 1234256720 ZLHSPGXRNWVVAG-LBPRGKRZSA-N 306.370 -0.717 30 20 DBED C=CCSCCNC(=O)C(=O)Nc1cnn(CC(N)=O)c1 1319966473 XUTDIDUMBOKWDA-UHFFFAOYSA-N 311.367 -0.658 30 20 DBED COCCn1cc(NC(=O)C(=O)NC[C@@H](C)C#N)ccc1=O 1320597339 LMUPZSVWAUZYEA-JTQLQIEISA-N 306.322 -0.291 30 20 DBED C#CCNC(=O)C1CCN(C(=O)C(=O)NCCOCC)CC1 1321460847 OYRMWGPYSOIRNU-UHFFFAOYSA-N 309.366 -0.873 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)NCCOC[C@@H]1CCOC1 1322608180 ILXGDYLNDBFHQJ-CQSZACIVSA-N 306.362 -0.359 30 20 DBED CCNC(=O)C1(CNC(=O)C(=O)N2CCO[C@@H](C#N)C2)CCC1 1323727396 FVYFQNCWHHDXCP-NSHDSACASA-N 322.365 -0.840 30 20 DBED N#CCN1CCC(NC(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)CC1 1323834381 DKAYHFDTTWLPBI-NWDGAFQWSA-N 309.370 -0.694 30 20 DBED C=CCN(C(=O)C(=O)NC[C@@H]1CC[C@H](C(=O)N(C)C)O1)C1CC1 1324403983 NJPQQUSICISNBY-QWHCGFSZSA-N 323.393 -0.085 30 20 DBED C#CCOCCNC(=O)C(=O)Nc1ccnn1C[C@@H]1CCOC1 1325240564 RTLZCIBAABQBST-LBPRGKRZSA-N 320.349 -0.376 30 20 DBED C[C@H]1C(=O)N(C)CCN1C(=O)C(=O)N1CCC(CC#N)CC1 1325726772 GSHMJDUVJDXYBV-NSHDSACASA-N 306.366 -0.172 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N[C@@H](COC)[C@@H]1CCCO1 1327299531 LCMGUQMKAAQIDF-KBPBESRZSA-N 306.362 -0.218 30 20 DBED N#CC[C@@H]1CCCN(C(=O)C(=O)NCc2nnnn2C2CC2)C1 1328109417 BLCVWAOSXZUHHC-JTQLQIEISA-N 317.353 -0.224 30 20 DBED C[C@@H](CN1CCOCC1)NC(=O)C(=O)N[C@@H]1CC[C@H](C#N)C1 1329197280 JCPVGCMJZIPSGH-RWMBFGLXSA-N 308.382 -0.368 30 20 DBED N#CCCN1CCN(C(=O)C(=O)NCCOC(F)(F)F)CC1 1330195913 CJIRUSIHASFBMK-UHFFFAOYSA-N 322.287 -0.303 30 20 DBED C=C(CC)CNC(=O)C(=O)N[C@H]1CCN(C2CCOCC2)C1=O 1330447423 ZOUUBUAFFGKVIA-ZDUSSCGKSA-N 323.393 -0.035 30 20 DBED COCCCn1cc(C(=O)NCCn2cnc(C#N)n2)cn1 1331732091 UWMMAWXWHCKFAC-UHFFFAOYSA-N 303.326 -0.187 30 20 DBED C#CCCCn1nnnc1N1CCC([C@H](O)C(=O)OC)CC1 1334116856 OSKLQRRCBUMOAF-LBPRGKRZSA-N 307.354 -0.163 30 20 DBED C=C(C)CN(C)C(=O)C(=O)N1CCC(S(=O)(=O)NC)CC1 1334720786 JSWVBSHUGOPEGL-UHFFFAOYSA-N 317.411 -0.439 30 20 DBED C=CCn1c(CCO)nnc1N1CCN([C@@H]2CCOC2)CC1 1339879953 IOZCLACKOIOKNF-CYBMUJFWSA-N 307.398 -0.090 30 20 DBED CC(C)(C)N1C[C@H](NC(=O)C(=O)N2CCO[C@@H](C#N)C2)CC1=O 1346995995 KOUZICFAKMQFEE-MNOVXSKESA-N 322.365 -0.747 30 20 DBED CC#CCn1nnnc1N1CCC(N(C)S(C)(=O)=O)CC1 1352510143 HZBGUSGBCFSOJN-UHFFFAOYSA-N 312.399 -0.443 30 20 DBED C#CCSCCNC(=O)C(=O)N1CCOC[C@H]1COC 1354623556 MYSVNCPMIVWPJY-LLVKDONJSA-N 300.380 -0.657 30 20 DBED C[C@H](O)C[C@H]1CCCN1C(=O)CCn1cc(C#N)c(O)nc1=O 1362341685 XGDHOLBOIKINNI-CMPLNLGQSA-N 320.349 -0.027 30 20 DBED CCCN(CC(=O)OC)C(=O)Cn1cc(C#N)c(O)nc1=O 1362355022 QCCRNNZHFQUQAX-UHFFFAOYSA-N 308.294 -0.768 30 20 DBED N#Cc1ncn(CC(=O)N2CC[C@H](CN3CCCC3=O)C2)n1 1362996184 FJJYMUYTPLKVJO-LLVKDONJSA-N 302.338 -0.379 30 20 DBED CC(C)(C)N1CC[C@H](NC(=O)Cn2cc(C#N)c(O)nc2=O)C1 1363476888 SFGGSSJHFAOUDD-NSHDSACASA-N 319.365 -0.190 30 20 DBED CO[C@@H]1COCC[C@@H]1CNC(=O)NCCn1cnc(C#N)n1 1364291559 QRULMZUZSCEJOB-GHMZBOCLSA-N 308.342 -0.500 30 20 DBED CNC(=O)NC(=O)[C@H](C)N1CCC(N(C)C(=O)[C@@H](C)C#N)CC1 1369761096 VMMNFVVJSGVSEI-QWRGUYRKSA-N 323.397 -0.087 30 20 DBED C[C@H](C#N)C(=O)NCCN(C)C(=O)Cn1nnc2c1CCCC2 1373650548 UZIGOCGLGYGAFO-LLVKDONJSA-N 318.381 -0.109 30 20 DBED C=C(Cl)CN1CC(O)(CNC(=O)[C@H]2CCNC(=O)C2)C1 1376161483 TWCKREHGEQBRKP-JTQLQIEISA-N 301.774 -0.572 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CCCN(C(=O)CN2CCOCC2=O)C1 1387654342 CBRLPFCIHRLFAY-NEPJUHHUSA-N 322.365 -0.888 30 20 DBED COC[C@@H](O)CN(CCO)C1CCN(C(=O)[C@@H](C)C#N)CC1 1397809542 HCZMXKQRRUMAQL-JSGCOSHPSA-N 313.398 -0.561 30 20 DBED CC(=O)NCC(=O)N(C)C[C@H](O)CNCc1ccccc1C#N 1403831624 MLBGKGVCAPHBRB-OAHLLOKOSA-N 318.377 -0.397 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CCN(C(=O)c2cccn3nnnc23)C1 1407565610 ZVYWOMSQOGODJX-UWVGGRQHSA-N 313.321 -0.385 30 20 DBED CO[C@@H]1CCC[C@H]1C(=O)NCCn1cc(C#N)c(O)nc1=O 1413311987 ZIGSYCIBZREHSU-GHMZBOCLSA-N 306.322 -0.248 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)CCc1ccncc1 1416769222 MXEBBMBATFJQMT-AAEUAGOBSA-N 304.350 -0.233 30 20 DBED C[C@H]1CC[C@@H](CNC(=O)CCn2cc(C#N)c(O)nc2=O)O1 1417926962 LVIHGTYSOJSICZ-ONGXEEELSA-N 306.322 -0.106 30 20 DBED CCN(CCC#N)C(=O)CNC[C@H](C)NC(=O)c1cncn1C 1420444846 IXPMKNZUCGYWQM-LBPRGKRZSA-N 320.397 -0.110 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCN1CCN(CC(=O)N2CCC2)CC1 1420902002 PUHQKTLQUDXSMP-AWEZNQCLSA-N 321.425 -0.546 30 20 DBED CC(=O)NCC(=O)NC[C@@H](NC(=O)c1c[nH]c(C#N)c1)C(C)C 1451887223 UORDSGRMNXJSRM-CYBMUJFWSA-N 319.365 -0.107 30 20 DBED CCN1C[C@H](C(=O)NCC[C@H](C)NCC#CCOC)CC1=O 1484993471 STIFHDWVPNLXOP-UONOGXRCSA-N 309.410 -0.011 30 20 DBED C=CCCOCC(=O)N1CC(N(C)C(=O)[C@@H]2C[C@H]2C(=O)O)C1 1573359910 AWYSFUYHVORYBH-VXGBXAGGSA-N 310.350 -0.031 30 20 DBED C[C@@H](C(=O)N(C)CCC#N)n1cc([N+](=O)[O-])c(-c2nn[nH]n2)n1 1588940459 PQBKFLHVZLDRAZ-ZETCQYMHSA-N 319.285 -0.096 30 20 DBED CC(C)(C)[C@H](NS(=O)(=O)N1CCO[C@H](C#N)C1)C(=O)O 1590445067 XSOOTYJHWFCMNH-RKDXNWHRSA-N 305.356 -0.456 30 20 DBED COC[C@H](NC(=O)CCN/C(O)=C1/N=CC=CC1=O)C(=O)O 1599168412 ABQIMGVKGKIUMT-WYNUBKAASA-N 311.294 -0.881 30 20 DBED N#Cc1ncc(N2CCC[C@H]2C(=O)NCC(=O)O)nc1C#N 1608225207 JPYNDYCNDKJSSX-JTQLQIEISA-N 300.278 -0.610 30 20 DBED C=CCO[C@@H]1CCN(C(=O)C(=O)N2CCO[C@@H](C(=O)O)C2)C1 1609636829 JTHZPFYTGDWBCR-GHMZBOCLSA-N 312.322 -0.898 30 20 DBED CC#CCN1CCN(CCCNC(=O)c2cn(C)nn2)CC1 1752343100 HVOOHXMVNLNSEK-UHFFFAOYSA-N 304.398 -0.424 30 20 DBED Cc1ncsc1C(=O)N[C@H]1C[C@H](NCC(=O)NCC#N)C1 1752614551 WJYBIPOHVGREDZ-MGCOHNPYSA-N 307.379 -0.058 30 20 DBED N#CCNC(=O)CN1C[C@@H]2C[C@H]1CN2C(=O)Cc1cncs1 1753422004 FRTNTWCDYXVXQP-QWRGUYRKSA-N 319.390 -0.390 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H](CC)CNC(=O)C1=CCOCC1 1753474032 XGIIAJDQNKYUCQ-JSGCOSHPSA-N 307.394 -0.045 30 20 DBED C#CCNC[C@H]1CCCN1C(=O)CN1CCCCS1(=O)=O 1753601127 SPMDPAZINPWWMV-CYBMUJFWSA-N 313.423 -0.374 30 20 DBED C=CCNC(=O)CN1CCO[C@@H](CNC(=O)c2cscn2)C1 1753655305 CRLLKRJWSBFIOB-NSHDSACASA-N 324.406 -0.124 30 20 DBED C#CCCNC[C@H]1[C@@H](C)CCCN1C(=O)CN1CCNC(=O)C1 1753808928 HOLNUXYEQQTCRU-GJZGRUSLSA-N 320.437 -0.342 30 20 DBED COCC#CCNCCCN(C)C(=O)c1ccc(=O)n(C)n1 1754411367 JYNGWEBATHBVPI-UHFFFAOYSA-N 306.366 -0.518 30 20 DBED C#CCNC(=O)CN1CC[C@@](O)(CNC(=O)C[C@@H](C=C)CC)C1 1754753623 AWZWKJYMMGPJKA-WMLDXEAASA-N 321.421 -0.109 30 20 DBED C=CCCCN1C[C@H]2CN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C[C@H]2C1 1754845651 RKDSOIYHUVQJDF-XQQFMLRXSA-N 320.393 -0.059 30 20 DBED C#CCNCC[C@@H]1CCN(C(=O)CN(C)S(=O)(=O)CC)C1 1754937914 MMFKATXBSDZQGF-CYBMUJFWSA-N 315.439 -0.271 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCO[C@@H](CNCc2csnn2)C1 1755001838 GCLJQNMUKLOLIN-AAEUAGOBSA-N 324.406 -0.107 30 20 DBED C#CCCN1CCN([C@@H]2CCN(C(=O)[C@@H](C)NC(C)=O)C2)CC1 1755017929 SLWUUCOZYQVJOJ-GDBMZVCRSA-N 320.437 -0.247 30 20 DBED C#CCNC(=O)CNCC1CC(NC(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1755216259 SMFNRTVOGHQQMI-KJZWCNOPSA-N 305.378 -0.887 30 20 DBED C=CCN1CC[C@H](N(C)[C@@H](C)CNC(=O)c2nnn(C)n2)C1=O 1755312203 CNBAWMBSJAEBGG-QWRGUYRKSA-N 321.385 -0.953 30 20 DBED C#CCCN1CC([C@H](C)NC(=O)CNS(=O)(=O)CC)C1 1755378461 GMYYLLNWGQNBGV-NSHDSACASA-N 301.412 -0.615 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H](CCNC(=O)c1nc[nH]n1)C(C)C 1755552504 OGQYZMXGGBJNFX-NWDGAFQWSA-N 320.397 -0.323 30 20 DBED C=CCC1(C(=O)NC[C@H](CO)NC[C@H](C)O)CCOCC1 1755645855 WTRSLBWDJNWBAJ-QWHCGFSZSA-N 300.399 -0.193 30 20 DBED COCC#CCNC[C@H](O)CN(C)C(=O)c1n[nH]c2c1CCC2 1755793380 PJAKWQWYWFEBOW-LBPRGKRZSA-N 320.393 -0.429 30 20 DBED C=CCNC(=O)CN(C)C[C@H](O)CN(C)C(=O)c1ccncc1 1755798223 QTJPFLZACLSPAY-AWEZNQCLSA-N 320.393 -0.252 30 20 DBED C=CCOCC(=O)NC[C@@H](C)N(C)C(=O)[C@@H]1CCNC(=O)C1 1756010903 KFTXVUDYLIBOGZ-VXGBXAGGSA-N 311.382 -0.322 30 20 DBED C#CCOc1ncccc1C(=O)N[C@@H](CO)CNC(=O)C1CC1 1756501560 VCCSVZSLDXOEOX-GFCCVEGCSA-N 317.345 -0.290 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H](CO)NC(=O)c1cnccc1C 1756521092 JQAKWVXWOVUJNK-OLZOCXBDSA-N 319.361 -0.365 30 20 DBED C=CCn1cc(C(=O)N(C)C[C@@H](O)CNC(=O)CC2CC2)nn1 1756662673 IPPBYUMCEIBNRD-LBPRGKRZSA-N 321.381 -0.187 30 20 DBED C#CCCCC(=O)N1CCC[C@H](N(CCO)C(=O)C(N)=O)C1 1757463772 ZDKHXNRBDCIVJF-LBPRGKRZSA-N 309.366 -0.913 30 20 DBED C#CCCCC(=O)N1CC[C@H](NC(=O)[C@@H]2CN(C)C(=O)N2)[C@H]1C 1757532196 KZUHOYDWXCDNIH-AGIUHOORSA-N 320.393 -0.081 30 20 DBED Cc1nn(C)cc1S(=O)(=O)NC(=O)[C@@H](C)n1cnc(C#N)n1 1771706876 UKMKZVIFZDCLLW-MRVPVSSYSA-N 323.338 -0.742 30 20 DBED C#CCNC(=O)CNS(=O)(=O)c1c(C)oc(C)c1C(=O)O 1776134774 SIERTTDJTQYWPU-UHFFFAOYSA-N 314.319 -0.378 30 20 DBED C=CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCNC(C)=O)C2 1801001417 NIEAADMFNMUAHH-YWVIFJGQSA-N 323.393 -0.322 30 20 DBED C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCN(CC(N)=O)CC1 74191512 WILATOPDSSFSRA-GFCCVEGCSA-N 315.377 -0.012 30 20 DBED C#CCNC(=O)[C@H](C)Sc1n[nH]c(=O)n1C[C@@H]1CCCO1 253489292 DTHRYYLGFWTJEC-UWVGGRQHSA-N 310.379 -0.020 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H]2CNC)C1=O 262579771 IQFOWFWOJXOCGM-JTQLQIEISA-N 308.338 -0.826 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H](N(C)C)C2)C1=O 264449157 NXDVCCXNOVUAJF-LLVKDONJSA-N 322.365 -0.484 30 20 DBED C#CCN(C(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)C1CC1 274012429 GXKBWUWGARNBCJ-OXHZDVMGSA-N 302.330 -0.227 30 20 DBED COC(=O)[C@H](NC(=O)C#Cc1ccc2c(c1)OCO2)[C@@H](C)O 274413921 CJDISCXBJGNCDV-YMTOWFKASA-N 305.286 -0.195 30 20 DBED CCOC(=O)CO/N=C(/C(=O)NC[C@H]1CCOC1)c1cc[nH]n1 276648971 WJRFIUPQAGJPTJ-BPLQLKKBSA-N 324.337 -0.154 30 20 DBED CN1CCN(CCCNc2c(C#N)c(=O)n(C)c(=O)n2C)CC1 291645555 OXPFCNAQFKAJHN-UHFFFAOYSA-N 320.397 -0.995 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)c2cnn(CC)n2)CC1 293005540 GNGOGNUTIQRIFA-UHFFFAOYSA-N 318.381 -0.805 30 20 DBED CN/C(=N\CCOc1cccnc1)NCCN1CCOCC1 304750543 INQILRHTJFUWSE-UHFFFAOYSA-N 307.398 -0.042 30 20 DBED C[C@@H](CN1CCOCC1)/N=C(/O)N1CCCS(=O)(=O)CC1 329155518 BQJPASOPIIRSLF-LBPRGKRZSA-N 319.427 -0.258 30 20 DBED CN1CC[C@@H](N(C)/C(O)=N/CC2(N3CCOCC3)CC2)C1=O 329389426 RUVSFIGPUMIWHZ-GFCCVEGCSA-N 310.398 -0.072 30 20 DBED CN(/C(O)=N/CC1(S(C)(=O)=O)CCC1)[C@@H]1COC[C@H]1O 329399349 XIDXETYWZLDJJT-NXEZZACHSA-N 306.384 -0.441 30 20 DBED CCN1CCCN(/C(O)=N/C[C@@H]2CN(C)CCN2C)CC1=O 329867724 WLIZXSZZECIEBM-CYBMUJFWSA-N 311.430 -0.300 30 20 DBED COC[C@@H]1CN(/C(O)=N/C[C@H](C)N2CCOCC2)CCO1 330934603 JNMOWWMHEASHBN-STQMWFEESA-N 301.387 -0.032 30 20 DBED CCN([C@H](C)CS(C)(=O)=O)S(=O)(=O)N(C)CCC#N 332427598 AMXVGGHKHJUXGA-SNVBAGLBSA-N 311.429 -0.168 30 20 DBED C[C@@H]1[C@@H](NS(=O)(=O)N2CCO[C@@H](C#N)C2)CCCN1C 336896525 NTEHYHYOYKPGPC-WOPDTQHZSA-N 302.400 -0.472 30 20 DBED COC(=O)[C@@H]1CN(C(=O)[C@@H](C)n2cnc(C#N)n2)C[C@H](C)O1 338198832 VAADVWWHDZOPPA-AEJSXWLSSA-N 307.310 -0.500 30 20 DBED C=CC[C@@H](CO)CNC(=O)C(=O)Nc1cc(C2CC2)n(C)n1 354323537 GYPYXTUXBPQYHA-SNVBAGLBSA-N 306.366 0.537 30 20 DBED CC(C)(CO)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N 354884000 RXUAQQPVDCDVHX-UHFFFAOYSA-N 307.354 0.335 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N1CCO[C@H](CC(=O)OC)C1 370164026 VQAMVEVWYFZUDZ-GHMZBOCLSA-N 313.354 -0.349 30 20 DBED C=CCN(C)C(=O)CCS(=O)(=O)NCC(=O)NC(C)C 428274579 CTDSDEKMQZCLQJ-UHFFFAOYSA-N 305.400 -0.535 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N[C@H]1CCS(=O)(=O)[C@H]1C 431629166 VPKNJJIZDJWPRH-GUBZILKMSA-N 309.413 -0.370 30 20 DBED CCn1cc(C(=O)C(=O)NCCCc2[nH]nc(N)c2C#N)cn1 436480969 LCZMHJICSPTQKX-UHFFFAOYSA-N 315.337 0.012 30 20 DBED C[C@H]1[C@@H](C)N(C)CCN1C(=O)C(=O)Nc1ccn(CCC#N)n1 442311760 XDUWRUWWNWIJIL-NEPJUHHUSA-N 318.381 0.286 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2cncc(Cl)n2)CC1 491071905 OKKJIBCRFBXNBD-UHFFFAOYSA-N 321.768 -0.363 30 20 DBED C#CCN(C)CCCNC(=O)C(=O)Nc1cc(C)c(=O)n(C)c1 491209984 OKJIOBOYGLTSAF-UHFFFAOYSA-N 318.377 -0.296 30 20 DBED CC(C)(C)N1CC[C@H](NC(=O)NCCn2cnc(C#N)n2)C1=O 570275206 BOTLYOLGADYMOH-JTQLQIEISA-N 319.369 -0.152 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)NCC[C@@]1(O)CCCOC1 593660596 LOMMKGHWARYKAP-RYUDHWBXSA-N 305.400 -0.156 30 20 DBED COC[C@@](C)(C#N)NC(=O)c1cc(S(N)(=O)=O)ccc1O 597381609 HNMVJDYOXQYCTF-GFCCVEGCSA-N 313.335 -0.302 30 20 DBED CC(=O)NCC(=O)NCC(=O)NCCc1ccc(C#N)cc1 597892623 YMDUJEWFDKTAPB-UHFFFAOYSA-N 302.334 -0.531 30 20 DBED C[C@H](NC(=O)C(=O)NC[C@H]1COCCN1)c1cccc(C#N)c1 599953402 YMZGCJQGCKHFFR-FZMZJTMJSA-N 316.361 -0.160 30 20 DBED C=C[C@](C)(O)C(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 612116770 VLXCEZFHWOBHNR-ZDUSSCGKSA-N 302.396 -0.004 30 20 DBED C=C[C@@H](O)C(=O)N1CCN(S(=O)(=O)CCCOC)CC1 612673827 MGDTWHQUVWYOHH-LLVKDONJSA-N 306.384 -0.956 30 20 DBED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)NC[C@H](O)CO 613163687 NGBQKJJPIKCSGX-NSHDSACASA-N 316.321 -0.078 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@@H](CC)NC(C)=O)CC1 630621544 YMPYRBJWTPPWDO-CYBMUJFWSA-N 310.398 -0.653 30 20 DBED C=CCN1CC[C@H](N(C)S(=O)(=O)C[C@H](COC)OC)C1=O 641475211 DZODSTPJMHRAPB-RYUDHWBXSA-N 320.411 -0.304 30 20 DBED C=CCOCCNS(=O)(=O)CCCS(=O)(=O)N(C)C 683701444 PMYALEBIYWSMHY-UHFFFAOYSA-N 314.429 -0.610 30 20 DBED N#CCNC(=O)COC(=O)CN1C(=O)c2ccccc2C1=O 731234814 QEHVDKPYPWTXMN-UHFFFAOYSA-N 301.258 -0.534 30 20 DBED N#CCOC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 734039063 HZUYSDSUMZVILW-SECBINFHSA-N 323.330 -0.246 30 20 DBED C#CCC[C@@H](O)CNC(=O)NCCS(=O)(=O)NC(C)C 798392595 BWJLJLIXQAYWKW-LLVKDONJSA-N 305.400 -0.612 30 20 DBED COCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](C#N)C1 802475567 FAWAFOJDHYUSQQ-NSHDSACASA-N 322.369 -0.209 30 20 DBED Cn1cc(S(=O)(=O)NCC(=O)OCCOCCC#N)cn1 815189798 KSHYYTRSGOLWEX-UHFFFAOYSA-N 316.339 -0.828 30 20 DBED CC#CCS(=O)(=O)NC(=O)c1nnn(-c2ccn(C)n2)c1C 816056296 MPINMYIUDVDEFE-UHFFFAOYSA-N 322.350 -0.608 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)CCCC(=O)O)CC1 833365952 YVUWVXJYYHSTHM-UHFFFAOYSA-N 309.366 -0.475 30 20 DBED C#C[C@H](NC(=O)N1CCN([C@H]2CCNC2)CC1)[C@H]1CCCO1 841879958 UKCGADDPWCUPCA-SOUVJXGZSA-N 306.410 -0.144 30 20 DBED C#CCSCCNC(=O)N1CCN(S(=O)(=O)NC)CC1 853774506 LNRAOFZAJXUHRU-UHFFFAOYSA-N 320.440 -0.856 30 20 DBED NS(=O)(=O)c1ccsc1C(=O)N[C@H]1CCCN(O)C1=O 854649318 VPAWOGXYOHABFC-LURJTMIESA-N 319.364 -0.495 30 20 DBED C[C@@H]1CCN(C(=O)C(=O)Nc2cnn(CC#N)c2)C[C@@H]1CO 857002869 LYUSHONJZDUKEB-GHMZBOCLSA-N 305.338 -0.178 30 20 DBED COCCN(C)CCN1C[C@@H](N=c2cc[nH]c(C#N)c2)CC1=O 912219592 XSFKDHCNAANJHI-HNNXBMFYSA-N 317.393 -0.034 30 20 DBED CCN(C[C@@H](C)C#N)C(=O)COC(=O)CN1C(=O)CN(C)C1=O 919019083 PDOMBOFXNVRMJK-JTQLQIEISA-N 324.337 -0.568 30 20 DBED C=C(Br)CNC(=O)C(=O)NCCO[C@H]1CCOC1 932852842 XBKHSGDPODPHKC-VIFPVBQESA-N 321.171 -0.067 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1cn(C)c(=O)n1C 937494903 RSVSHBXBPBRALL-VWYCJHECSA-N 317.349 -0.691 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](N(C)C(=O)c2cc(=O)n(C)o2)C1 939398739 ZKIQHRQMWMHKKK-NXEZZACHSA-N 306.322 -0.189 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C2CN(Cc3nncn3C)C2)CC1 941344183 DUICSPYGXSILKB-GFCCVEGCSA-N 317.397 -0.697 30 20 DBED C#Cc1ccc(C(=O)NC2CCN(C(=O)C(N)=O)CC2)nc1 948072531 WOOAOBJQSFMHNQ-UHFFFAOYSA-N 300.318 -0.731 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)C(N)=O)C[C@H]2C)nc1 955757755 CNNAAADYNUBOGO-ZYHUDNBSSA-N 314.345 -0.343 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2ccn(C)c2)C1 958822561 XLKDXJQKHTWYCR-DRZSPHRISA-N 304.350 -0.172 30 20 DBED C#CCN1C[C@@H]2C(NC(=O)c3nc(OC)cc(OC)n3)[C@H]2C1 960573993 ZVRUDWXIACLYNF-UWVGGRQHSA-N 302.334 -0.213 30 20 DBED C#Cc1ccc(C(=O)NC2[C@H]3CN(Cc4nc(O)n[nH]4)C[C@H]23)cn1 962324007 BUAHMDAGDGJECH-RYUDHWBXSA-N 324.344 -0.253 30 20 DBED C[C@H](C#N)C(=O)N1CC2(C[C@@H](NC(=O)c3cnn[nH]3)CO2)C1 965744783 SQTHKQDYOZXQSM-RKDXNWHRSA-N 304.310 -0.936 30 20 DBED CC#CCN1CC[C@@H](C)[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)C1 968538805 LDTNPBPZJIHAMV-OLZOCXBDSA-N 320.393 -0.270 30 20 DBED C[C@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)[C@H]1CN(C)CCO1)C2 969807645 RVESVAADBMVZIV-ZOBORPQBSA-N 320.393 -0.322 30 20 DBED O=C(C#CC1CC1)N1CC[C@@H]2CN(C(=O)Cn3cnnn3)[C@@H]2C1 971252545 CIEWBQLFSGVRMN-CHWSQXEVSA-N 314.349 -0.854 30 20 DBED C=CCN1CCO[C@]2(CCN(C(=O)c3nnc(O)nc3O)C2)C1 972453959 RPRAWFJGDAEFCY-CQSZACIVSA-N 321.337 -0.614 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H]2CCN(C(=O)[C@H]3CNC(=O)N3)C[C@H]21 974726481 ZICOGZQFXGNGNC-IJLUTSLNSA-N 320.393 -0.061 30 20 DBED C=CCN1C[C@@H]2CC[C@@H](NC(=O)CN3CCNC(=O)C3)C[C@H]2C1 980151179 FPDZVDJINWCTPU-SOUVJXGZSA-N 320.437 -0.179 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCCN([C@H](C)C(N)=O)CC1 981361349 GZXZKOYGQAYLFE-KGLIPLIRSA-N 306.410 -0.508 30 20 DBED CC[C@@H]1[C@@H](NC(=O)Cn2nccn2)CCN1C(=O)[C@H](C)C#N 984926032 AQZUGTVKEPGBEB-GRYCIOLGSA-N 304.354 -0.067 30 20 DBED C=CCn1cc(C(=O)NC2CN(C(=O)c3cnon3)C2)nn1 991673738 OKOWIWAVWSVVKX-UHFFFAOYSA-N 303.282 -0.899 30 20 DBED CC#CCN1CCC[C@H](NC(=O)c2cn(CC(N)=O)nn2)[C@@H]1C 994491810 YNUMWEBGGPLQHX-RYUDHWBXSA-N 318.381 -0.631 30 20 DBED COc1cc(O)ncc1C(=O)NC1CN(C(=O)[C@@H](C)C#N)C1 999981958 ICGKAANBURZIIP-QMMMGPOBSA-N 304.306 -0.104 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)C(C)(C)C(N)=O)C1 1000022532 QGNSXFRRYLUHAO-MNOVXSKESA-N 309.366 -0.584 30 20 DBED CC#CCN1CC=C(CNC(=O)c2cn(CC(N)=O)nn2)CC1 1001471960 OWRXJQBQOUCTTJ-UHFFFAOYSA-N 316.365 -0.851 30 20 DBED COc1ncc(C(=O)NCC2CN(C(=O)[C@H](C)C#N)C2)cn1 1004079194 YXMQNTMXFSIJEB-SECBINFHSA-N 303.322 -0.167 30 20 DBED Cn1nnnc1CN1CCC[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 1007055064 GDRHPNFPDOBCCF-NSHDSACASA-N 314.353 -0.196 30 20 DBED C=CCn1cc(C(=O)N[C@H]2C[C@H](C)N(C(=O)CC(N)=O)C2)nn1 1012411602 HTWOBSQQHUIVIK-UWVGGRQHSA-N 320.353 -0.941 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2C(NC(=O)CN3CCOCC3)[C@@H]2C1 1012968491 NOJSGXHXYRFHSR-IJLUTSLNSA-N 306.366 -0.949 30 20 DBED C#Cc1cncc(C(=O)NC2[C@@H]3CN(C(=O)CC(N)=O)C[C@@H]23)c1 1013744450 LIJRAOOIKHUNNF-VXGBXAGGSA-N 312.329 -0.875 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2cnn(C)n2)C1 1014768944 GNVXEQPSEUQJKQ-HIFRSBDPSA-N 316.409 -0.397 30 20 DBED C=C(C)C(C)(C)C(=O)N1CC[C@@H]2OCCN(C(=O)C(N)=O)[C@H]2C1 1019907695 GWOGVNPGJTYTNJ-RYUDHWBXSA-N 323.393 -0.098 30 20 DBED C#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)C2CC(=O)NC(=O)C2)C1 1021687530 ALJIWJDWKOYWLH-GXTWGEPZSA-N 317.389 -0.015 30 20 DBED C#Cc1ccc(C(=O)N2C[C@@H]3CC[C@H](NCC(N)=O)[C@H]3C2)nc1 1026402088 GZOFUVIPHUTXEW-IHRRRGAJSA-N 312.373 -0.012 30 20 DBED CN(C(=O)[C@H]1CCN(C)S1(=O)=O)[C@@H]1CCN(CC#N)C1 1033500875 FIZVPLLDVSSOSE-GHMZBOCLSA-N 300.384 -0.923 30 20 DBED C=C(C)CN1CC[C@@H](N(C)C(=O)CN2C(=O)CN(C)C2=O)C1 1033642144 IQMHFLKHJRHCEG-GFCCVEGCSA-N 308.382 -0.011 30 20 DBED CC#CCN1CCO[C@@H](CNC(=O)c2c[nH]c(C(N)=O)c2)C1 1035615331 XOAOWNVMKBLMPX-LBPRGKRZSA-N 304.350 -0.433 30 20 DBED C=CCN[C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C[C@H]1C 1036038084 LJYJMPAKZCZWMH-GHMZBOCLSA-N 306.370 -0.610 30 20 DBED C[C@H]1CN(C(=O)CCc2nnc(O)nc2O)CC[C@@H]1NCC#N 1036096263 IGNLOQVJBCBCFJ-UWVGGRQHSA-N 320.353 -0.434 30 20 DBED Cn1cncc1C(=O)N1CC[C@@](O)(CNC(=O)C#CC2CC2)C1 1039688145 BAEBNRYRJOBBAE-MRXNPFEDSA-N 316.361 -0.473 30 20 DBED C=CCN1CCC[C@]2(CCN(C(=O)CN3CCNC(=O)C3)C2)C1 1040329631 WJGHFSBSAHUTFL-KRWDZBQOSA-N 320.437 -0.081 30 20 DBED COCCC(=O)NCC1(O)CN(C(=O)c2cc(C#N)c[nH]2)C1 1041050451 IPLVBHNTKPWWPK-UHFFFAOYSA-N 306.322 -0.774 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)c3ncccn3)C2)nn1 1041137112 UGDQEDCFXNOHOP-GHMZBOCLSA-N 311.305 -0.882 30 20 DBED CO[C@H](C)CC(=O)NCC1(O)CN(C(=O)CSCC#N)C1 1041933024 MPWHOYUFYJLBFG-SNVBAGLBSA-N 315.395 -0.642 30 20 DBED C#CCCN1CC[C@H]2CCN(C(=O)Cn3ncn(C)c3=O)C[C@H]21 1042123237 QUDQUFDLTVDDDD-UONOGXRCSA-N 317.393 -0.472 30 20 DBED Cc1cc(CC(=O)NCC2(O)CN(C(=O)[C@@H](C)C#N)C2)no1 1042162741 VAXOYFAIRCVHGT-VIFPVBQESA-N 306.322 -0.625 30 20 DBED C#CCCCCC(=O)N1CC(O)(CNC(=O)Cn2nccn2)C1 1043212329 SCJPBGYACCYPKI-UHFFFAOYSA-N 319.365 -0.839 30 20 DBED C=CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)c2cccn2C)C1 1043568519 NKYJPYIMRNSALR-GFCCVEGCSA-N 321.377 -0.081 30 20 DBED N#Cc1nccnc1N1C[C@H](O)[C@H](NC(=O)C[C@@H]2CCCO2)C1 1043852125 BTCSQFVRBWRXDF-UHTWSYAYSA-N 317.349 -0.417 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)[C@@]2(C)CNC(=O)C2)C1 1043944229 KWOQVXZIAIXHAW-CQSZACIVSA-N 309.366 -0.832 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)c2cnco2)C1 1044126783 GURNCPMEUZAPGI-SNVBAGLBSA-N 307.306 -0.984 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)[C@@H](C)CC(N)=O)C1 1044426082 HQCCSEXPHMMGIT-JTQLQIEISA-N 311.382 -0.600 30 20 DBED C=C[C@@](C)(CC)C(=O)N1CC(O)(CNC(=O)[C@H]2CCNC2=O)C1 1044451141 DNBUDKULBZNJCM-NHYWBVRUSA-N 323.393 -0.586 30 20 DBED CC#CCN1[C@H]2CC[C@H]1CN(C(=O)c1nnc(O)nc1O)CC2 1045808450 DKUTWCAIVPGJFJ-QWRGUYRKSA-N 317.349 -0.015 30 20 DBED CN1CCOC[C@@H]1C(=O)N1CCN([C@H]2CCN(CC#N)C2)CC1 1046019320 BYUGTKSECYMIHJ-LSDHHAIUSA-N 321.425 -0.941 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)[C@H]2CN(C)C[C@H]2C)C1 1046686127 ZSPLFUYTAGBWDB-OLZOCXBDSA-N 309.410 -0.160 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)OCC)C1 1048343500 JULJUHKYMHKHJA-AVGNSLFASA-N 314.382 -0.356 30 20 DBED C=CCOCC(=O)N(C)[C@H]1CN(C(=O)Cc2ccon2)C[C@@H]1O 1048555422 XDMWOCKDXLPJRA-STQMWFEESA-N 323.349 -0.550 30 20 DBED C[C@@H]1[C@@H](NC(=O)c2cn(C)nn2)CCN1c1nccnc1C#N 1050240807 SPYRQHRRECHMPT-ZJUUUORDSA-N 312.337 -0.126 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2COCCN2C[C@@H](C)OC)nn1 1051155900 MEQVQFNLNVIRCJ-CHWSQXEVSA-N 323.397 -0.070 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)c1cn(CC2CC2)nn1 1051189528 PSDNCOXJTRKDRY-ZDUSSCGKSA-N 303.366 -0.248 30 20 DBED N#Cc1cccnc1N1CC[C@H](NC(=O)c2cnon2)[C@@H](O)C1 1051719693 UYBHSLGNULSPFI-JQWIXIFHSA-N 314.305 -0.294 30 20 DBED C=C(C)CN1CCN([C@@H]2CCN(C(=O)[C@H]3COC(=O)N3)C2)CC1 1052018025 AFDHQUDAJCWVOU-ZIAGYGMSSA-N 322.409 -0.111 30 20 DBED C#CCCN1CCC[C@H](NC(=O)CN2CCOCC2=O)CC1 1052447369 COJMOEMVIZMNQN-AWEZNQCLSA-N 307.394 -0.161 30 20 DBED CC#CCN1CCC[C@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)CC1 1052945164 DKPORGSMMSMVKV-STQMWFEESA-N 313.423 -0.328 30 20 DBED C#CCN1CC2(C1)CN(C(=O)[C@H]1CN3CCC[C@@H]3CO1)CCO2 1053263052 GXNDTWORRLHFSR-HUUCEWRRSA-N 319.405 -0.604 30 20 DBED C=C(C)CN1CC2(C[C@H](NC(=O)[C@@H]3COCCN3C)CO2)C1 1053782114 FSEPRXCFSORBFC-KBPBESRZSA-N 309.410 -0.147 30 20 DBED C=C(C)CN1CC2(C[C@H](NC(=O)C3CS(=O)(=O)C3)CO2)C1 1053814794 WYQQOGLXJJWZHS-LBPRGKRZSA-N 314.407 -0.433 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)c3cc(CN(C)C)on3)CO2)C1 1053853397 DYCSYXURZUCQCX-LBPRGKRZSA-N 318.377 -0.058 30 20 DBED C#CCCCC(=O)N1C[C@H]2CN(C(=O)C3(C(N)=O)CC3)C[C@H]2C1 1055310571 MGBCGWMVCAIVPQ-BETUJISGSA-N 317.389 -0.028 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@](CO)(NC(=O)CCCN(C)C)C1 1056081341 CPHUJAYLQFJMAV-CJNGLKHVSA-N 324.425 -0.042 30 20 DBED CN1CCC[C@@H]1C(=O)N[C@H]1[C@@H]2CN(c3cncc(C#N)n3)C[C@@H]21 1056149709 NNLOEPKVODZCPY-COMQUAJESA-N 312.377 -0.007 30 20 DBED CN1CC[C@@H](C(=O)N2CC[C@@H](N=c3cc[nH]c(C#N)n3)C2)C1 1056642297 IBYQZKSKJRRABO-VXGBXAGGSA-N 300.366 -0.265 30 20 DBED CNC(=O)CC(=O)N1CCC[C@H]2CN(C(=O)[C@H](C)C#N)C[C@H]21 1056650362 FECQFPGFOBMEEQ-GRYCIOLGSA-N 306.366 -0.268 30 20 DBED N#Cc1nc(=N[C@@H]2CCN(C(=O)C34CCN(CC3)C4)C2)cc[nH]1 1056670478 BTHVVRAPFRDWOC-GFCCVEGCSA-N 312.377 -0.121 30 20 DBED N#Cc1nccc(N2CCCN(C(=O)Cn3cncn3)CC2)n1 1057139652 QHMIRGFJNYIWBD-UHFFFAOYSA-N 312.337 -0.321 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)[C@@H](C)OCC 1057194041 XRQSELWYQJQAPF-GFCCVEGCSA-N 302.371 -0.449 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)COCC(F)F 1057525565 YQNOGUFIDIVSJJ-UHFFFAOYSA-N 320.336 -0.135 30 20 DBED C=CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)c1cc(C)[nH]n1 1057922253 ZYEFAFCJSFKMMP-LBPRGKRZSA-N 324.381 -0.140 30 20 DBED C=C(C)C(C)(C)C(=O)N(CCO)CCNC(=O)c1cn(C)nn1 1058286507 RGCYRHUWWYYIPK-UHFFFAOYSA-N 323.397 -0.032 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)[C@@]1(C)CCCOC1 1058589216 XJLKBEYTVGHIDY-WFASDCNBSA-N 311.382 -0.100 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](CCNC(=O)Cn2nccn2)C1 1060286054 ILVARXLIRAQHRE-VXGBXAGGSA-N 304.354 -0.207 30 20 DBED C#CCNC(=O)CC(=O)NC1(CNC(=O)[C@@H](C)OCC)CCC1 1062605991 MQJWXJHHUFFOIO-GFCCVEGCSA-N 323.393 -0.294 30 20 DBED CC(C)(C)C#CC(=O)NCC1(NC(=O)[C@@H]2CNC(=O)N2)CCC1 1062985183 LPKOKNZMLMWBDB-NSHDSACASA-N 320.393 -0.128 30 20 DBED N#Cc1cnc(N2CCC3(CCN(C(=O)C(N)=O)C3)CC2)cn1 1064587682 ISDHEONIQRCKOA-UHFFFAOYSA-N 314.349 -0.348 30 20 DBED Cc1cc(C(=O)N2CCO[C@@H](CNC(=O)[C@@H](C)C#N)C2)n[nH]1 1064912613 BOHBPNJUCCUSRE-ONGXEEELSA-N 305.338 -0.165 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CN(C(=O)CCc2ncc[nH]2)CCO1 1065101695 VAANFYWWPBMZCF-VXGBXAGGSA-N 319.365 -0.154 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)[C@@]23COC[C@@H]2C3)CCO1 1065234169 GWGVUVXQMLQVSB-ZENOOKHLSA-N 324.377 -0.431 30 20 DBED C=C(C)C[C@H](C)C(=O)NC1(CNC(=O)C(N)=O)CCOCC1 1070210363 ZWOUANZZFHPSAT-NSHDSACASA-N 311.382 -0.144 30 20 DBED C=C(C)CN[C@@H]1CN(C(=O)c2cnon2)C[C@@H]1n1ccnn1 1070299915 KTDQXQGMVOYKGO-NEPJUHHUSA-N 303.326 -0.108 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)c2ccnn2C)CC1 1070947059 HJPBXKYFCFVRCY-UHFFFAOYSA-N 305.382 -0.130 30 20 DBED Cc1ncoc1C(=O)N1CCC(=O)NCCN(CC#N)CC1 1070950169 NALLXUTVKZEDFX-UHFFFAOYSA-N 305.338 -0.229 30 20 DBED C=CCCN1CCNC(=O)CCN(C(=O)c2nnn(C)n2)CC1 1070988171 KSXREJUEODTAHP-UHFFFAOYSA-N 321.385 -0.950 30 20 DBED C#CCN1CC[C@]2(C1)CN(C(=O)c1cc(=O)n(C)o1)C[C@@H](C)O2 1071159880 SSJIPSBIPNXMAD-WBMJQRKESA-N 319.361 -0.083 30 20 DBED C[C@H]1CN(C(=O)c2cnc(O)n2C)C[C@@]2(CCN(CC#N)C2)O1 1071198791 DXOBAHNKMALZGR-NHYWBVRUSA-N 319.365 -0.045 30 20 DBED C=CCOCC(=O)N1C[C@H](C)[C@H](NC(=O)CCn2cnnn2)C1 1071808208 FUJCGXUKHPPVKQ-NWDGAFQWSA-N 322.369 -0.771 30 20 DBED C=CCOCC(=O)N[C@H]1CN(C(=O)c2cn(C)c(O)n2)C[C@@H]1C 1072675193 STCXYSGLQNEGRF-QWRGUYRKSA-N 322.365 -0.095 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)c2nccnc2C(N)=O)C1 1073880785 SPRQSXTUHUYZRP-NSHDSACASA-N 317.349 -0.971 30 20 DBED Cn1c(C(=O)N2CC[C@@H]3OCCN(CC#N)[C@@H]3C2)cccc1=O 1074336554 RLKZZGLGFQVDDW-KGLIPLIRSA-N 316.361 -0.176 30 20 DBED N#CCN1CCO[C@H]2CCN(C(=O)CCN3CCOCC3)C[C@@H]21 1074360670 PFIQVGMHLSOSAA-GJZGRUSLSA-N 322.409 -0.466 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)c2ccnc3c2CC(=O)N3)C1 1077303406 TVCKGSPFJNWURB-CHWSQXEVSA-N 314.345 -0.626 30 20 DBED C[C@@H](CCNC(=O)[C@H](C)C#N)NC(=O)CN1CC(=O)N(C)C1=O 1078132606 ZGJUIPWEQXKQFS-ZJUUUORDSA-N 323.353 -0.949 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](O)[C@H](CNC(=O)C2=COCCO2)C1 1081217044 BRUHXFAVTQFIHW-CHWSQXEVSA-N 322.361 -0.531 30 20 DBED N#CCSCC(=O)NC[C@@H]1CN(C(=O)C(F)F)C[C@@H]1O 1081286705 OJXSXFFBDWICDT-SFYZADRCSA-N 307.322 -0.556 30 20 DBED O=C(COCC1CC1)NC[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 1081297687 OEFPYOJXNSWYAP-CABCVRRESA-N 320.389 -0.238 30 20 DBED C#CCOCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CCC=C)C1 1081337873 JSXKZDXXOHLYIN-UONOGXRCSA-N 308.378 -0.072 30 20 DBED O=C(Cc1ccc[nH]1)NC[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1081526448 UDKXHKHVLRTYKA-DZGCQCFKSA-N 315.373 -0.094 30 20 DBED C=CCCOCC(=O)NC[C@@H]1CN(C(=O)c2cnco2)C[C@@H]1O 1081569053 KDFWKVCEMVXWSS-NEPJUHHUSA-N 323.349 -0.184 30 20 DBED Cc1nn[nH]c1C(=O)NC[C@H]1CN(C(=O)C#CC(C)C)C[C@@H]1O 1081637631 OOYPXAWBSMKURT-RYUDHWBXSA-N 319.365 -0.678 30 20 DBED CN(C)CCC(=O)NC[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@@H]1O 1081732113 CTEHPNDSNGOOPC-KGLIPLIRSA-N 323.437 -0.077 30 20 DBED C=C(Cl)CN1C[C@@H](NC(=O)[C@@H]2CCNC2=O)[C@H](OC)C1 1082019531 CPHKVILRFAGRIS-GMTAPVOTSA-N 301.774 -0.310 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H]1CCCCN1C(=O)CC(=O)NC 1082027605 OSBXYYPBMACLGP-OLZOCXBDSA-N 323.393 -0.342 30 20 DBED CCCN1C[C@@H](C(=O)N2CCO[C@@H]3CN(CC#N)C[C@@H]32)CC1=O 1083209120 RFYBMHNHIJJKLB-MELADBBJSA-N 320.393 -0.320 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CCCCN(C)C1=O 1083246896 PRQWWOKOPDAWJP-SOUVJXGZSA-N 319.405 -0.210 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)C1 1083483787 IJRTWEXZNOHMDC-ZNMIVQPWSA-N 319.405 -0.571 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)c2cnc3c(c2)ncn3C)C1 1083695402 YGVGCTKHYBLIBN-OLZOCXBDSA-N 301.350 -0.071 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCc3cnn(C)c3C2)C1 1083729353 QDOUCVVATPYGKY-XPKDYRNWSA-N 316.405 -0.290 30 20 DBED NC(=O)C(=O)N[C@@H]1CN(CC#Cc2ccccc2Cl)C[C@@H]1O 1083743919 NPBOHAIDKJLCLO-OLZOCXBDSA-N 321.764 -0.662 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCN(C(=O)CC)C2)C1 1083926695 JEELZAASYBPFBU-MCIONIFRSA-N 307.394 -0.571 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(Cc3ncccn3)C[C@@H]2O)nc1 1083965758 YEGGQCVSNRMJBT-CABCVRRESA-N 323.356 -0.172 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2cccc3nc(O)oc23)C1 1084131718 VGAKJAJQRMCIJF-MNOVXSKESA-N 302.290 -0.168 30 20 DBED C[C@@H]1CC2(CCN(CC#N)CC2)CN1C(=O)Cn1cnnn1 1086901266 BDMFDNPDODHLRL-GFCCVEGCSA-N 303.370 -0.100 30 20 DBED N#CCN1C[C@@H]2[C@@H]3CC[C@@H](CN3C(=O)Cn3cnnc3O)[C@H]2C1 1089796652 VAPUPWOMJOAVHB-RNJOBUHISA-N 316.365 -0.324 30 20 DBED Cc1cc(N2C[C@@H](O)[C@H](NC(=O)C#CC(C)C)C2)nc(CO)n1 1090411522 WAOZGBBWJKKHTN-CHWSQXEVSA-N 318.377 -0.398 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CN(c2cc(Cl)c(O)nn2)C[C@H]1O 1090414771 MBYNBDNBJFFVQF-GHMZBOCLSA-N 322.752 -0.085 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCN(CCOC)C[C@H]2O)nn1 1090632589 IOJAKORBTLAEMF-DGCLKSJQSA-N 309.370 -0.725 30 20 DBED Cn1ncc(C(=O)N[C@@H]2CCN(CC#N)C[C@H]2O)c1C1CC1 1090851625 GPYFWLPTHSHFAH-CHWSQXEVSA-N 303.366 -0.014 30 20 DBED C[C@H](NC(N)=O)C(=O)NC[C@H]1C[C@H](Nc2cnc(C#N)cn2)C1 1091454067 BFNUPJSYXCLYOW-GUBZILKMSA-N 317.353 -0.288 30 20 DBED CSCC(=O)N[C@@H]1CCN(c2ccnc(C#N)n2)C[C@H]1O 1092148807 UXZCTOOEYCFBOA-NXEZZACHSA-N 307.379 -0.233 30 20 DBED N#Cc1cncc(NCCNC(=O)CCn2cnccc2=O)n1 1093837521 TVWAUPGGPOFYCZ-UHFFFAOYSA-N 313.321 -0.477 30 20 DBED CC[C@]1(C(=O)NCCNc2cnc(C#N)cn2)CCNC1=O 1094218687 KGLOSQYCZHFIRG-AWEZNQCLSA-N 302.338 -0.207 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CC(=O)N(C3CN(CC#N)C3)C2)cn1 1094806602 UYNVUVDULCFFCH-CQSZACIVSA-N 323.356 -0.399 30 20 DBED CN(CCCNC(=O)C[C@@H]1CCNC1=O)c1cnc(C#N)cn1 1095654845 IYQMGTAISZGIIQ-NSHDSACASA-N 316.365 -0.183 30 20 DBED CN(CCCNC(=O)[C@@H]1CC[C@@H]1C(N)=O)c1cncc(C#N)n1 1095696761 LVTHYKJQDHAYHO-NWDGAFQWSA-N 316.365 -0.198 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CC(=O)N(C)C1)Nc1cncc(C#N)n1 1098345669 DKQQTIJPNMUBNG-VHSXEESVSA-N 302.338 -0.257 30 20 DBED C=CCNCc1cn([C@@H]2CCN(C(=O)COCCOC)C2)nn1 1098632247 ANNOKSFKKOJVLD-CQSZACIVSA-N 323.397 -0.010 30 20 DBED C#CCOCCC(=O)N[C@H]1CCN(Cc2ccnn2C)C[C@@H]1O 1099832125 BPYHUKOHHYTSLL-GJZGRUSLSA-N 320.393 -0.489 30 20 DBED COCC#CCN1CC[C@H](NC(=O)Cc2cncs2)[C@@H](O)C1 1099885998 WWAFDALBCZPNGR-KBPBESRZSA-N 323.418 -0.113 30 20 DBED C=C(C)CCN1CC[C@@H](NC(=O)CCS(C)(=O)=O)[C@H](O)C1 1099895100 ULJVDIFKQIDGSN-CHWSQXEVSA-N 318.439 -0.061 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2ccnnc2C)[C@@H](O)C1 1099907107 RVFJMRKWWAKOPR-CABCVRRESA-N 318.377 -0.400 30 20 DBED CN(CCNC(=O)[C@H]1CC[C@@H]1C(N)=O)c1cnc(C#N)cn1 1100269095 OPPQUHWENUPXHC-QWRGUYRKSA-N 302.338 -0.588 30 20 DBED C#CCCCC(=O)NCC1CC(N[C@H](C)C(=O)NC(N)=O)C1 1100285451 JEJWSULVNBEJCJ-VOMCLLRMSA-N 308.382 -0.142 30 20 DBED CN(CCNC(=O)c1nnc(O)nc1O)c1ccncc1C#N 1100416334 YWRNEZXXTRVDQN-UHFFFAOYSA-N 315.293 -0.584 30 20 DBED C=CCNC1CC(CNC(=O)CN2CCS(=O)(=O)CC2)C1 1100980725 DANLJMXBIYUJBO-UHFFFAOYSA-N 315.439 -0.613 30 20 DBED CCCN(CCNC(=O)CNC(N)=O)c1cnc(C#N)cn1 1101083659 ODXSBEQXPKCQHB-UHFFFAOYSA-N 305.342 -0.651 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1CNC(=O)c1n[nH]cc1F 1102331893 XQNGHGJJJURMST-NXEZZACHSA-N 322.344 -0.514 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@@H]1CN(CCCO)C[C@H]1C 1102891260 NCURNEUOVZQHSK-ZIAGYGMSSA-N 309.410 -0.418 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CN(c2ncnc3[nH]cnc23)CCO1 1104302044 OWLPSCGJPPMTEB-UWVGGRQHSA-N 315.337 -0.166 30 20 DBED C=CCNCC[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)C[C@H]1C 1104987037 JIMXIBREKCRHAC-VXGBXAGGSA-N 308.382 -0.202 30 20 DBED N#Cc1nc(=NC[C@@H](O)CNC(=O)Cc2cccnc2)cc[nH]1 1105820196 SZQRPSPSLZPOFL-GFCCVEGCSA-N 312.333 -0.703 30 20 DBED Cc1nc(NC[C@@H](O)CNC(=O)CCCC(N)=O)ccc1C#N 1105882609 JBBFEPGXIXYEHK-GFCCVEGCSA-N 319.365 -0.194 30 20 DBED Cc1nsc(NC[C@@H](O)CNC(=O)[C@H]2CCNC2=O)c1C#N 1106051895 OFUPQOGCYKOOIP-IUCAKERBSA-N 323.378 -0.652 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H](O)CNC(=O)CCc1cnn[nH]1 1106124003 VGRJVNXWDJHLNY-GFCCVEGCSA-N 315.337 -0.985 30 20 DBED C[C@@H]1CN(C(=O)[C@@H]2Cc3cncn3C(=O)N2)C[C@H]1CNCC#N 1106465013 FEFIDNGZNFEMRA-WZRBSPASSA-N 316.365 -0.427 30 20 DBED CCN(CCNc1cncc(C#N)n1)C(=O)[C@H]1CNC(=O)N1 1106928832 SNSLWOVJQLQINT-SNVBAGLBSA-N 303.326 -0.710 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)[C@H]1C[C@H]1C(N)=O 1106951892 IFBTWRIJTCUTBY-ZJUUUORDSA-N 302.338 -0.848 30 20 DBED COCCN1CC(n2cc(CNC(=O)CSCC#N)nn2)C1 1107129787 PKTWWUTYKNOWDJ-UHFFFAOYSA-N 324.410 -0.346 30 20 DBED C#CCCCC(=O)NC[C@@]1(C)CN(Cc2nnn(C)n2)CCO1 1107900778 BZWFYKHWHSVFKM-HNNXBMFYSA-N 320.397 -0.279 30 20 DBED CC#CCN1CCO[C@@](C)(CNC(=O)C[C@@H]2CCNC2=O)C1 1107995249 XJOIAGZKSBOMOO-BBRMVZONSA-N 307.394 -0.257 30 20 DBED C=CCN1CCO[C@](C)(CNC(=O)CN2CCN(C)C(=O)C2)C1 1108035984 MEQARYZAJSCBLZ-MRXNPFEDSA-N 324.425 -0.847 30 20 DBED CN1CCCC[C@@H](C(=O)NC[C@]2(C)CN(CC#N)CCO2)C1=O 1108338475 ISYXDBMZQLHRRT-XJKSGUPXSA-N 322.409 -0.024 30 20 DBED CCO[C@H](C(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1)C(C)C 1108544609 GXRJMJCZPZLWSG-DOMZBBRYSA-N 322.409 -0.028 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1 1108594220 MKRPMCLOYGLBCG-VXGBXAGGSA-N 306.366 -0.498 30 20 DBED COc1nccc(C(=O)N[C@@H](C)CN=c2cc[nH]c(C#N)n2)n1 1108795645 JGTNNQJTTLCJRQ-VIFPVBQESA-N 313.321 -0.201 30 20 DBED N#Cc1ccc(NC2(CNC(=O)[C@H]3CC[C@H]3C(N)=O)CC2)nn1 1110300347 VYWWBWJIVXIDFI-MNOVXSKESA-N 314.349 -0.080 30 20 DBED N#Cc1nccnc1NC[C@@H]1CCCN1C(=O)CCNC(N)=O 1110544485 QUYOHIBFIATOJG-JTQLQIEISA-N 317.353 -0.190 30 20 DBED C#CCNC(=O)CC(=O)N[C@@]1(C)CCN(c2ncccn2)C1 1110742281 ZYDKGJBCWZNPCN-HNNXBMFYSA-N 301.350 -0.299 30 20 DBED COCc1cc(N2CC[C@@](O)(CNC(=O)[C@H](C)C#N)C2)ncn1 1111042682 ZETROHIEPBTGFS-IAQYHMDHSA-N 319.365 -0.160 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@]1(O)CCN(c2cc(F)ncn2)C1 1111098989 YIHLKEJPBBWZLT-ABAIWWIYSA-N 322.340 -0.289 30 20 DBED COC[C@@H](C)C(=O)N(CCO)CCN=c1cc[nH]c(C#N)n1 1111438134 LZKKEIABYRBSHC-LLVKDONJSA-N 307.354 -0.715 30 20 DBED Cn1cnnc1COCC(=O)N[C@]12CCC[C@H]1CN(CC#N)C2 1111921575 SMRQRKYVDFYNIG-WFASDCNBSA-N 318.381 -0.174 30 20 DBED C#CCN1C[C@@H]2CCC[C@]2(NC(=O)CC[C@@H]2NC(=O)NC2=O)C1 1111975146 VAUXVQFNMKEAHI-MKBNYLNASA-N 318.377 -0.422 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)[C@H]2CN(C)CCO2)CC1 1112740056 UXCSWVGBTKRUFY-UONOGXRCSA-N 324.425 -0.848 30 20 DBED C[C@H](N=c1cc[nH]cc1C#N)[C@@H](C)NC(=O)Cn1ncnn1 1113194356 QOCIWVCFJIFYHH-VHSXEESVSA-N 300.326 -0.633 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)CCN(C)CC)CC1 1113495636 QKCHMLPLLFQRAV-AWEZNQCLSA-N 308.426 -0.390 30 20 DBED C=CCOCCN1C[C@H]2[C@H](NC(=O)c3nccnc3N)[C@H]2C1 1114057711 NVGNXKGICSFQCL-GDNZZTSVSA-N 303.366 -0.079 30 20 DBED C[C@H](C#N)C(=O)NC1[C@H]2CN(CC(=O)Nc3cnccn3)C[C@H]12 1114067844 XOVCCGKRGWEPGE-VWYCJHECSA-N 314.349 -0.379 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1[C@@H]2CN(CCC[C@H](C)O)C[C@@H]21 1114159778 LRQKTCHVVAPJPU-BCUIYNNISA-N 307.394 -0.667 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)COC(C)(C)C)[C@@H]2C1 1114164122 QTWCYJCWGHKBAV-VXGBXAGGSA-N 307.394 -0.403 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)c3cnnc(C)c3)[C@@H]2C1 1114175830 LNHFOUOSKCVRIV-CHWSQXEVSA-N 315.377 -0.253 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)C#CC(C)(C)C)[C@@H]2C1 1114255135 CTFZBWURAVJUNH-CHWSQXEVSA-N 301.390 -0.168 30 20 DBED CC[C@]1(C(=O)NC2[C@H]3CN(CC#CCOC)C[C@H]23)CCNC1=O 1114422605 FLKPTYJJLCGJFE-DCGLDWPTSA-N 319.405 -0.401 30 20 DBED C=CCOCCN1C[C@H]2C(NC(=O)[C@@H]3CCC(=O)NC3)[C@@H]2C1 1114502687 ZHKQZAJKJVYTDO-JHJVBQTASA-N 307.394 -0.238 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)c3cncn3C)[C@H]2C1 1114524570 XAZFEFRKTXECIR-CIQGVGRVSA-N 317.393 -0.229 30 20 DBED CCCn1cc(C(=O)NC2[C@@H]3CN(CC#CCOC)C[C@@H]23)nn1 1115025304 NCXKGUUZEXIZSE-CHWSQXEVSA-N 317.393 -0.002 30 20 DBED C#CCCN1C[C@H]2C(NC(=O)CCS(=O)(=O)N(C)C)[C@@H]2C1 1115282426 OJAMJIRKKQWBBF-VXGBXAGGSA-N 313.423 -0.662 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3[nH]cnc3C)[C@H]2C1 1115356728 OYLCWDRTJCCHRG-YABSGUDNSA-N 301.350 -0.872 30 20 DBED N#Cc1ccc(CNC(=O)C(=O)NCCNC(=O)C2CC2)cc1 1117160055 DDELVEHQKZWTFL-UHFFFAOYSA-N 314.345 -0.183 30 20 DBED CCn1cc(-c2nn(C)cc2C(=O)NCC(=O)NCC#N)cn1 1117459874 IWKYEZRHTKFNSB-UHFFFAOYSA-N 315.337 -0.327 30 20 DBED N#CCCN1CCN(C(=O)C(=O)N2CCC(F)(F)C2)CC1 1119010364 LCZXXYXCCJRKRM-UHFFFAOYSA-N 300.309 -0.088 30 20 DBED C=CCOCCn1nnnc1N(C)CCS(=O)(=O)CC 1120088315 KDKXFSZHSJZZBB-UHFFFAOYSA-N 303.388 -0.253 30 20 DBED C=C(C)COCCn1nnnc1N1CCN2C(=O)NC[C@H]2C1 1120100659 DTRZDRIHDGZBGB-NSHDSACASA-N 307.358 -0.520 30 20 DBED C[C@H](CN(C)C(=O)Cn1ncnn1)Nc1ccc(C#N)nc1 1120127876 CMQXNFYCCSXNBU-SNVBAGLBSA-N 300.326 -0.101 30 20 DBED Cc1ccc(C#N)c(N[C@@H](CO)CNC(=O)[C@H]2COCCO2)n1 1121136811 QZPVLIYKXUCJPN-CHWSQXEVSA-N 320.349 -0.434 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)c2ccc(O)nn2)nc1 1121177255 IGPURIZCNPDKKS-SNVBAGLBSA-N 314.305 -0.348 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](CO)Nc1cc(-n2ccnc2)ncn1 1121213768 UDBFFRZYVJXJGK-QWRGUYRKSA-N 315.337 -0.289 30 20 DBED N#Cc1cnc(N[C@@H](CO)CNC(=O)c2n[nH]cc2F)cn1 1122494063 MDTJJWROLNPBLY-MRVPVSSYSA-N 305.273 -0.587 30 20 DBED CCC(=O)NCC(=O)N1CC[C@@H](N=c2cc[nH]c(C#N)n2)[C@H]1C 1123004787 UWWKQRCQVCPANP-GHMZBOCLSA-N 316.365 -0.302 30 20 DBED CC(=O)NCC(=O)N1C[C@@H](Nc2cncc(C#N)n2)C[C@@H]1C 1123120276 FDCUGODXZKROFU-ONGXEEELSA-N 302.338 -0.114 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]cc1C#N)C(=O)c1cncn1C 1124591518 BVBYVZVLQYDNOJ-LBPRGKRZSA-N 314.349 -0.346 30 20 DBED C=CCOCC(=O)NCCNCC(=O)NC(=O)NCCC 1124764770 CHNAAKHJQOKAAZ-UHFFFAOYSA-N 300.359 -0.869 30 20 DBED C#CCNC(=O)CC(=O)NCCNCc1nc(C(C)(C)C)no1 1125977652 CGCNJIHTOKGTOE-UHFFFAOYSA-N 321.381 -0.288 30 20 DBED N#Cc1cc(C(=O)NCCNC[C@H](O)CN2CCCC2=O)c[nH]1 1125988260 RZDPSVACBGNPTR-ZDUSSCGKSA-N 319.365 -0.811 30 20 DBED C#CCOCCC(=O)NCCNCCn1c(C)csc1=O 1127023432 LSDTZXJSRROKBZ-UHFFFAOYSA-N 311.407 -0.036 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)c1cnc2[nH]nnc2c1 1129582438 BNFAATOWVAQSHH-VIFPVBQESA-N 317.353 -0.637 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)C[C@@H]1CCCC(=O)N1 1131110030 ZHAYVRWPAAQNRX-NEPJUHHUSA-N 310.398 -0.558 30 20 DBED C=CCOCC(=O)N1CC[C@H](C)[C@@H](CNCC(=O)NCC#N)C1 1132705493 NARNGVVFSLPWFH-KBPBESRZSA-N 322.409 -0.097 30 20 DBED C[C@H]1CCN(C(=O)COCc2ncnn2C)C[C@H]1CNCC#N 1133213319 LHENBRFLOKBASQ-QWHCGFSZSA-N 320.397 -0.071 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1cc(C(F)F)[nH]n1 1133655109 XJAHHSBULMNPAJ-UHFFFAOYSA-N 300.269 -0.694 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)CSCC#N)NCc1nnn(C)n1 1133735299 BXYPPQMMXFTWPQ-VHSXEESVSA-N 311.415 -0.160 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)NCCNCCOCCO 1134816687 HGNFZPAYGOKSHC-CYBMUJFWSA-N 301.387 -0.828 30 20 DBED CCO[C@H](C)C(=O)N1CC2(CCN(CC(=O)NCC#N)C2)C1 1147056280 DTYUPFHKZRAVIH-GFCCVEGCSA-N 308.382 -0.415 30 20 DBED COCC#CCN1CCCO[C@H](CNC(=O)c2cn[nH]c2)C1 1149215558 XMJRBSNCORFZGW-CQSZACIVSA-N 306.366 -0.120 30 20 DBED C=CCOCCNCCNC(=O)CN1C(=O)NC(C)(C)C1=O 1149924275 GORBAXIDJRDOBW-UHFFFAOYSA-N 312.370 -0.775 30 20 DBED Cn1cc(OCC(=O)NC[C@H]2CN(CC#N)CCCO2)cn1 1150179100 GADJXSSVQWKXTL-LBPRGKRZSA-N 307.354 -0.470 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)c1ccn(C)n1 1151083939 IUQBPPFNQXYXDA-UHFFFAOYSA-N 306.370 -0.498 30 20 DBED C[C@H]1c2ccccc2O[C@@H]1C(=O)NCCNCC(=O)NCC#N 1153642182 RVZBXXXOCANMBN-NHYWBVRUSA-N 316.361 -0.103 30 20 DBED C=CCNC(=O)CN(CC)[C@H](C)CNC(=O)c1cncnc1O 1153956672 HRFQRXOBBPQNFF-LLVKDONJSA-N 321.381 -0.075 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)CN(C)C(=O)C1CC1 1159218752 XMYYJZZOGDFUBL-LBPRGKRZSA-N 322.409 -0.911 30 20 DBED C=CCNCC1(CCNC(=O)CN2CC(=O)N(C)C2=O)CC1 1167719417 GPTFHPSKSJMYPI-UHFFFAOYSA-N 308.382 -0.058 30 20 DBED Cn1ccc(C(=O)NCCC2(CNCC(=O)NCC#N)CC2)n1 1168126395 JMWNJUAWPAVOAA-UHFFFAOYSA-N 318.381 -0.450 30 20 DBED C=CCOCCNCCCNC(=O)[C@H]1CCCS1(=O)=O 1176593031 HVLGVRDIVCAVQY-GFCCVEGCSA-N 304.412 -0.138 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2cnn(C)c2C)C1 1180973919 NOYJNGNVIFQNHR-GFCCVEGCSA-N 303.366 -0.718 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)[C@H]3CCCO3)[C@@H]2C1 1186741871 YYLVZRDEAIHCSE-BFHYXJOUSA-N 305.378 -0.553 30 20 DBED CCN1CCCC[C@H]1C(=O)N1CC[C@@H](NCC(=O)NCC#N)C1 1188138849 FGTSKBZADJDYOQ-KGLIPLIRSA-N 321.425 -0.309 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)C=C2CCC2)C1 1192138066 XQDZKRQGZPJFLU-MRVWCRGKSA-N 305.378 -0.604 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@H](C)NC(=O)C2CCCC2)C1 1193166557 MZFLRTCKXGFQLE-NWANDNLSSA-N 321.421 -0.134 30 20 DBED CC#CCCCC(=O)N[C@@H]1CN(Cc2nnnn2C)C[C@H]1O 1195467793 UWRMKWSOTWRZBS-VXGBXAGGSA-N 306.370 -0.935 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCCN(C(=O)c2ncccn2)CC1 1197520130 YXDSBZRNUROABL-CYBMUJFWSA-N 315.377 -0.238 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)CCOC2CCOCC2)C1 1197666902 LFCILUJQOKVBNT-HUUCEWRRSA-N 310.394 -0.243 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)C[C@H]2COC(=O)C2)CC1 1200071311 ZAUAFAITBODDNK-GFCCVEGCSA-N 323.393 -0.178 30 20 DBED C[C@@H](C#N)C(=O)N1CCCO[C@H](CNCCS(C)(=O)=O)C1 1200116276 VOIKXMLCZGPQMH-NWDGAFQWSA-N 317.411 -0.602 30 20 DBED C#CCNC[C@H]1CN(C(=O)c2ccc3nn[nH]c3n2)CCCO1 1200641558 FUJRPLFOILZRFX-NSHDSACASA-N 314.349 -0.193 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@H](NC(=O)c2cnon2)C12CCC2 1203508594 ZHRDRWFTMHRCGP-RYUDHWBXSA-N 317.349 -0.550 30 20 DBED C=CCNC(=O)CN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)c1cnon1)C2 1204805724 LUMGXFFOMFNRAA-NQBHXWOUSA-N 319.365 -0.046 30 20 DBED CNC(=O)NC(=O)[C@H](C)NCC1CCN(C(=O)[C@@H](C)C#N)CC1 1204811847 RJLUTJZWJZOXTA-QWRGUYRKSA-N 323.397 -0.182 30 20 DBED C=CCNCC1CCN(C(=O)CCNS(C)(=O)=O)CC1 1205415779 KRTFYTMYEMIXNM-UHFFFAOYSA-N 303.428 -0.060 30 20 DBED C#CCNCC1CCN(C(=O)CCn2ncn(C)c2=O)CC1 1205748395 AUHCZTBKQNWXSP-UHFFFAOYSA-N 305.382 -0.567 30 20 DBED CCO[C@@H](C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C)C1CC1 1206981268 DHZITXLKXWQYSM-UXIGCNINSA-N 322.409 -0.122 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)c2[nH]nnc2C)[C@H](C)C1 1208275513 JTBURUGFMIBGSO-YUSALJHKSA-N 320.397 -0.146 30 20 DBED C#CCN[C@H]1CCCN(C(=O)CS(=O)(=O)CCOC)C1 1208435892 QEFGRMOPGJIKNG-LBPRGKRZSA-N 302.396 -0.739 30 20 DBED COCC#CCN[C@H]1CCCN(C(=O)[C@H]2CCC(=O)NC2)C1 1208475354 TUORPPKMWUYGLE-KBPBESRZSA-N 307.394 -0.257 30 20 DBED CC#CCN[C@@H]1CCCN(C(=O)[C@H](C)NS(C)(=O)=O)C1 1209828876 RVNNKVVJSOCILI-NWDGAFQWSA-N 301.412 -0.472 30 20 DBED C#CCCCCC(=O)N[C@@H]1CN(Cc2nnn(C)n2)C[C@H]1OC 1212145927 DZFQWDXOXXNLSS-CHWSQXEVSA-N 320.397 -0.281 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[nH]2)C[C@H]1OC 1212187444 SVCSRWMYHJCULT-VXGBXAGGSA-N 321.381 -0.773 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2OCC[C@H]2CC)C[C@H]1C 1214891972 BQHRCASQKBFLJY-KQTLUZQSSA-N 321.421 -0.013 30 20 DBED C=CCOCC(=O)N1CCO[C@@H]2CN(CC(=O)N(C)C)C[C@@H]21 1217532121 DLFVGALJHOADMM-QWHCGFSZSA-N 311.382 -0.811 30 20 DBED CC[C@@H](C(=O)N1CCO[C@@H]2CN(CC#CCOC)C[C@@H]21)N(C)C 1218645943 MHVHMDFVCWJVJQ-HRCADAONSA-N 323.437 -0.112 30 20 DBED C=C[C@@](C)(CC)C(=O)N[C@@H]1CN(CCOCCO)C[C@@H]1O 1220293654 PLDBHBVBXDSPGK-IPYPFGDCSA-N 300.399 -0.241 30 20 DBED C=CCC(C)(C)C(=O)N[C@@H]1CN(CCN2CCNC2=O)C[C@@H]1O 1220435671 JBURNWBGGQLPLA-OLZOCXBDSA-N 324.425 -0.225 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)Cn2nccc2C)C1 1220436976 PBXGOEUHMCRKRJ-KGLIPLIRSA-N 308.382 -0.445 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H]2CCN(C[C@@H](C)OC)C[C@H]21 1221491261 BZCWQGOUGPBSBP-MGPQQGTHSA-N 307.394 -0.307 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3ncccn3)[C@@H]2C1 1221885824 YQAZGCKAXYZMHO-CHWSQXEVSA-N 313.361 -0.628 30 20 DBED C=CCO[C@@H](C)C(=O)NC1CCN([C@@H]2CCC(=O)NC2=O)CC1 1230407810 ZESGQZIBHOHVAI-WCQYABFASA-N 323.393 -0.037 30 20 DBED N#CCN1CCS(=O)(=O)[C@@H](CCNC(=O)[C@@H]2CCCO2)C1 1230416841 SITNFNSRSQNRHJ-RYUDHWBXSA-N 315.395 -0.706 30 20 DBED N#CCN1CCS(=O)(=O)[C@H](CCNC(=O)c2ccon2)C1 1230425140 CNQLBLPHXGJSFZ-SNVBAGLBSA-N 312.351 -0.583 30 20 DBED C#CCN1CCS(=O)(=O)[C@H](CCNC(=O)[C@@H](C)OCC)C1 1230425265 HHLQGMKFYHRHMN-CHWSQXEVSA-N 316.423 -0.350 30 20 DBED C#CCN1CCS(=O)(=O)[C@H](CCNC(=O)[C@H]2CC2(F)F)C1 1230461043 XAEYFMQXQVXZIW-GHMZBOCLSA-N 320.361 -0.120 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)[C@H](OC)C1CC1 1234051411 VBBWWWLJEWRABR-DZGCQCFKSA-N 307.394 -0.307 30 20 DBED N#Cc1ncn(CCNC(=O)c2cn(Cc3ccccn3)nn2)n1 1261116112 UENYOZCLSHCSSM-UHFFFAOYSA-N 323.320 -0.385 30 20 DBED C[C@@H](NC(=O)C(=O)Nc1cnn(CC#N)c1)C(=O)NC(C)(C)C 1319358665 LPEJNEOGFSQBAY-SECBINFHSA-N 320.353 -0.235 30 20 DBED C#C[C@@H](NC(=O)C(=O)Nc1ccc(=O)n(C)c1)[C@@H]1CCCO1 1320690994 LOHCVZSUSAEYRM-NEPJUHHUSA-N 303.318 -0.379 30 20 DBED C#CCSCCNC(=O)C(=O)NCCOC[C@H]1CCOC1 1322550927 KQSAUMBAFLENQR-LBPRGKRZSA-N 314.407 -0.362 30 20 DBED CC(C)(CNC(=O)C(=O)NCCCCC#N)NS(C)(=O)=O 1322572380 WPVXQJYTOMKCNL-UHFFFAOYSA-N 318.399 -0.760 30 20 DBED N#CCN1CCC(NC(=O)C(=O)NCCc2nccs2)CC1 1322595420 AONBNBFLQHZDOE-UHFFFAOYSA-N 321.406 -0.094 30 20 DBED CC(C)[C@@H](CO)NC(=O)NCCN/C(O)=C1/N=CC=CC1=O 1323580779 XIJJPTBEXLEKOG-JBEXSADBSA-N 310.354 -0.171 30 20 DBED C#C[C@H](NC(=O)C(=O)NCC(=O)N1CCCC1)[C@H]1CCCO1 1323780664 ANHBAOJQYUKZAX-NWDGAFQWSA-N 307.350 -0.978 30 20 DBED COC[C@]1(CO)CCN(C(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)C1 1326718343 IESJEYXALOXTQM-YWPYICTPSA-N 309.366 -0.348 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N1CCN(C(=O)OC)CC1 1327058547 JCTCRDDQRFGGJM-UHFFFAOYSA-N 305.334 -0.618 30 20 DBED C#CCCCNC(=O)C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 1327912935 AKUPRQVLOZDFMG-LLVKDONJSA-N 315.395 -0.944 30 20 DBED N#CCC1(CNC(=O)C(=O)N2CC[C@@H]3NC(=O)CC[C@@H]3C2)CC1 1329077359 SHEVHFSFNFBCSB-NEPJUHHUSA-N 318.377 -0.076 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCC(O)(C(F)(F)F)CC1 1329100678 WYZNVRIWGJAWSL-UHFFFAOYSA-N 322.283 -0.332 30 20 DBED Cn1nc2c(cc1=O)CN(C(=O)C#CC1CCNCC1)CC2 1329935995 AZQOHPIOTXMEAG-UHFFFAOYSA-N 300.362 -0.332 30 20 DBED CN1C(=O)COc2ccc(C(=O)NCC(=O)NCC#N)cc21 1332669276 ISYFBXZCWUCWSG-UHFFFAOYSA-N 302.290 -0.589 30 20 DBED N#C[C@@H]1CCCN(C(=O)C(=O)N2CCN3CCOC[C@@H]3C2)C1 1335526821 VWRDMKXNXRZUPR-STQMWFEESA-N 306.366 -0.708 30 20 DBED COCCNC(=O)[C@@H](C#N)C(=O)c1ccc(CNC(N)=O)cc1 1342516838 CECREAKAWONUJJ-LBPRGKRZSA-N 318.333 -0.060 30 20 DBED N#C[C@H]1CC[C@@H](NC(=O)C(=O)N2CC[C@@H]3NC(=O)OC[C@H]3C2)C1 1345711526 ICFHXQRAAFNDEN-QCNOEVLYSA-N 320.349 -0.248 30 20 DBED C=CCOCCNC(=O)C(=O)N(C)[C@H](C)CN1CCOCC1 1346713159 HSIQWFXDFIMNFZ-CYBMUJFWSA-N 313.398 -0.516 30 20 DBED Cn1cnc(C(=O)NC[C@H](O)CNCc2ccccc2C#N)n1 1367583552 MDLMCEXIVYIWBM-CYBMUJFWSA-N 314.349 -0.433 30 20 DBED N#Cc1cccc(CNC[C@@H](O)CNC(=O)Cn2cncn2)c1 1367634953 ZDLJVVOSZKXPSF-CQSZACIVSA-N 314.349 -0.583 30 20 DBED N#Cc1cc(C(=O)N2CC[C@H]2CNC(=O)Cn2cncn2)c[nH]1 1389766731 ZIJYNOFXHIBMMR-LBPRGKRZSA-N 313.321 -0.491 30 20 DBED Cc1nc(CC(=O)N[C@]2(C)CCN(C(=O)[C@@H](C)C#N)C2)n[nH]1 1390209055 MTOGWOWEELTECX-LKFCYVNXSA-N 304.354 -0.078 30 20 DBED COC(=O)NCC(=O)N[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 1407464863 MKKMEANNVRNHPX-JTQLQIEISA-N 319.321 -0.427 30 20 DBED C[C@H](CCNC(=O)c1cc(C#N)c[nH]1)NC(=O)c1cnn(C)n1 1408453027 JGQOICSVSSJACY-SECBINFHSA-N 315.337 -0.047 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)CN(C)CC(C)(C)C)C1 1414066802 XYWHXLYQJCHDBG-UPJWGTAASA-N 324.425 -0.188 30 20 DBED CCN(CCNC(=O)c1cc(=O)n(C)cn1)C(=O)[C@H](C)C#N 1415683479 DGWZERBPSFNKRQ-SNVBAGLBSA-N 305.338 -0.482 30 20 DBED C[C@H](C#N)C(=O)NC[C@@]1(C)CCN(C(=O)CCn2cnnn2)C1 1417393909 YJZDVKCBKCURCO-BXUZGUMPSA-N 319.369 -0.422 30 20 DBED CC(=O)NCC(=O)NC[C@H](C)N(C)C(=O)c1cc(C#N)c[nH]1 1424056677 TVHLHOYSZVOKFQ-VIFPVBQESA-N 305.338 -0.401 30 20 DBED C[C@H](C#N)C(=O)NCCN1CCN(C(=O)Cc2cnc[nH]2)CC1 1429801274 WKPUMTWFRNNQLK-GFCCVEGCSA-N 318.381 -0.628 30 20 DBED Cc1nnc(N2CC[C@@](F)(C#N)C2)n1CC(=O)N1CCOCC1 1434613058 RCPMXHQQFSRVHQ-CQSZACIVSA-N 322.344 -0.113 30 20 DBED Cc1nnc(CNC[C@@H](O)CNC(=O)c2cc(C#N)c[nH]2)s1 1438981781 NJKUMDBKKGJRDG-SNVBAGLBSA-N 320.378 -0.073 30 20 DBED N#Cc1ccc(C(=O)NC[C@H](O)CNC(=O)COCC2CC2)[nH]1 1452303065 YYPBIMDMTJFYDK-GFCCVEGCSA-N 320.349 -0.480 30 20 DBED C[C@@H](C#N)C(=O)NC1CN(C(=O)[C@@H]2CCCN(C(N)=O)C2)C1 1456388395 CQBLJUSPOSNFHA-VHSXEESVSA-N 307.354 -0.736 30 20 DBED C[C@@H](C#N)C(=O)NCC1CN(C(=O)c2coc(C(N)=O)c2)C1 1456596056 WZYWEFHSEXIRBA-QMMMGPOBSA-N 304.306 -0.274 30 20 DBED N#Cc1ncn(CC(=O)NC2CCN([C@H]3CCOC3)CC2)n1 1470312166 LZVAUVILIQSZOY-LBPRGKRZSA-N 304.354 -0.481 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H]1CNC(=O)CN1CCCC1=O 1529160178 JXDHLLCBHJTHOM-NEPJUHHUSA-N 306.366 -0.124 30 20 DBED CCc1cc(C(=O)NC[C@]2(O)CCN(C(=O)[C@@H](C)C#N)C2)n[nH]1 1537310302 YDUAQSGKGRELFV-ZUZCIYMTSA-N 319.365 -0.175 30 20 DBED N#CCN[C@H]1CCN(C(=O)CCCCCS(N)(=O)=O)C1 1567110618 UODAMUVFGICRKC-NSHDSACASA-N 302.400 -0.451 30 20 DBED C#CC[C@@H](NC(=O)C1(C2(O)CCNCC2)CCC1)C(=O)OC 1574504388 HWRDVOFNBDRDEH-GFCCVEGCSA-N 308.378 -0.048 30 20 DBED C#CCOc1ccc(C(=O)N2CCOC[C@@]2(CN)CO)cc1 1574736320 YVWIOVFQWFPXRC-MRXNPFEDSA-N 304.346 -0.139 30 20 DBED CC#CC[C@H](N)C(=O)N[C@@H](C(=O)OCC)[C@@H](O)c1cccnc1 1574962133 FZQMDHUKEAXAMU-MJBXVCDLSA-N 319.361 -0.096 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(CCc2cnn[nH]2)C[C@H]1O 1575110491 RECXUTZSZBPWRP-QWHCGFSZSA-N 309.370 -0.899 30 20 DBED C[C@H](C#N)C(=O)NCC1(NCC(=O)NCc2cnn[nH]2)CCC1 1575176624 GOVHCZALODKJIO-SNVBAGLBSA-N 319.369 -0.791 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@H](CNCC(=O)NCc2cnn[nH]2)C1 1575177887 MRWGTPXPOMGGAL-GMTAPVOTSA-N 319.369 -0.935 30 20 DBED C[C@@H]1CCN(c2cnc(-c3nn[nH]n3)c(C#N)n2)CC[S@@]1=O 1576213565 CUFOFEHDXAMPSI-PJLCYMMNSA-N 318.366 -0.124 30 20 DBED C#CCOCCC(=O)N[C@H](C)CN=c1cc[nH]c(C(=O)O)n1 1588489554 CXLDRWCGIGVJMB-SNVBAGLBSA-N 306.322 -0.447 30 20 DBED C=CC[C@H](C(=O)OC)N1CCS(=O)(=O)C[C@H]1CC(=O)O 1588731048 CHLOWLSVFCKIKD-NXEZZACHSA-N 305.352 -0.322 30 20 DBED C=CCC[C@H](CO)NC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O 1588778010 PETJYICCQNIAMF-LPEHRKFASA-N 301.343 -0.410 30 20 DBED C=CCOC[C@H](NC(=O)c1cccnc1OCCO)C(=O)O 1588861605 IMXBWFGYKHMRFU-NSHDSACASA-N 310.306 -0.162 30 20 DBED C[C@H](C(=O)NC1(C#N)CCOCC1)n1cnc(-c2nn[nH]n2)n1 1588970470 JRLVQDQGOLMUDM-MRVPVSSYSA-N 317.313 -0.792 30 20 DBED COC(=O)[C@H]1CCN(C(=O)Cn2cnc(C#N)n2)[C@@H](C(=O)O)C1 1598794944 STRFPJKPSQCXHS-DTWKUNHWSA-N 321.293 -0.985 30 20 DBED C[C@H](CN=c1cc[nH]c(C(=O)O)n1)NC(=O)CSCC#N 1599891944 VJYQQQISJDDECH-MRVPVSSYSA-N 309.351 -0.230 30 20 DBED C#CC[C@H](NS(=O)(=O)c1cc(C(=O)O)no1)C(=O)OC 1602698646 OYRWJGNHZSMYAN-LURJTMIESA-N 302.264 -0.784 30 20 DBED C[C@H]1CN(C(=O)C(=O)NCC(C)(C)CC#N)C[C@@H](C(=O)O)O1 1607467822 LJJDHRJJDZKNQX-UWVGGRQHSA-N 311.338 -0.257 30 20 DBED N#Cc1ccc(S(=O)(=O)N[C@@]2(CC(=O)O)CCOC2)cn1 1608211064 ZSFFPAWXPDOZPT-GFCCVEGCSA-N 311.319 -0.135 30 20 DBED O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1c[nH]c(C(=O)O)c1 1610883459 DMKJPYINQRMEGO-QBFSEMIESA-N 318.289 -0.031 30 20 DBED CS(=O)(=O)Nc1ccccc1CC(=O)N[C@@H]1CNC[C@H]1C#N 1649851196 LASIPVPVIKDCKK-DGCLKSJQSA-N 322.390 -0.172 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@H](NC(=O)c2cnccc2C)C1 1752619098 AZETXZVIZBDLFB-JOCQHMNTSA-N 300.362 -0.010 30 20 DBED CC#CCN(CC)CCNC(=O)CCc1nnc(O)nc1O 1753084612 WUOMWJWGKBDWRG-UHFFFAOYSA-N 307.354 -0.323 30 20 DBED CC#CCN(C)C[C@H]1CCN(C(=O)CCS(=O)(=O)NC)C1 1753349371 NSINOTQAJOOEBE-CYBMUJFWSA-N 315.439 -0.271 30 20 DBED N#CCNC[C@@H]1CCC[C@@H]1NC(=O)Cn1ccc(O)nc1=O 1753888079 HXRMZXRBQRGUSO-QWRGUYRKSA-N 305.338 -0.653 30 20 DBED CC#CCNC[C@H](O)CNC(=O)[C@H](C)NC(=O)c1ccco1 1753937908 RUPSDRKDJJSVPT-RYUDHWBXSA-N 307.350 -0.512 30 20 DBED C#CCNC(=O)[C@H](C)NC/C=C/CNC(=O)c1coc(C)n1 1754114915 MGNDORDKOZCLKB-QRGHLMKCSA-N 304.350 -0.003 30 20 DBED C=C(C)CCN1CC(O)(CNC(=O)[C@H]2CCCN(C(N)=O)C2)C1 1754770789 ZHMMHIRVYYVOJH-ZDUSSCGKSA-N 324.425 -0.094 30 20 DBED C#CCCNCCN(CCO)C(=O)[C@H]1CCC[C@@H](C(N)=O)C1 1754892897 DBHBZOYBULAIIN-KGLIPLIRSA-N 309.410 -0.288 30 20 DBED C#CCCNC[C@H]1CN(C(=O)COCc2nncn2C)CCO1 1755013527 WWVKTZOUIOYBLQ-ZDUSSCGKSA-N 321.381 -0.828 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@@H](C)CNC(=O)c1ccnc(C)n1 1755326700 VLMSEYOVKQLURI-NWDGAFQWSA-N 317.393 -0.027 30 20 DBED C#CCNC(=O)[C@H](C)N1CC([C@H](C)NC(=O)c2cnn(C)n2)C1 1755387403 INMFPTNFCQWOEI-QWRGUYRKSA-N 318.381 -0.997 30 20 DBED CC#CCN[C@@H]1C[C@H](C)N(C(=O)CN(C)S(=O)(=O)CC)C1 1755688682 DVYJFMNSULIZHD-QWHCGFSZSA-N 315.439 -0.130 30 20 DBED COCC#CCNC[C@@H](O)CN(C)C(=O)c1c[nH]nc1C1CC1 1755790607 BXHJPCHOVYMDTL-CYBMUJFWSA-N 320.393 -0.041 30 20 DBED CN1CCC(C(=O)N(C)C[C@@H](O)CNC(=O)C#CC2CC2)CC1 1756667872 CMFHFFFMDJUQJT-HNNXBMFYSA-N 321.421 -0.323 30 20 DBED CCN(C(=O)CC(=O)NC)[C@H](C)CNC(=O)CSCC#N 1756847516 VWTPBPSCJSDXOS-SNVBAGLBSA-N 314.411 -0.268 30 20 DBED Cc1nnc(S(=O)(=O)Cc2ccccc2C#N)n1CC(N)=O 1771691318 AOQHZHYMUGIAAM-UHFFFAOYSA-N 319.346 -0.083 30 20 DBED C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CCCCN3C)C2)C1 1781033122 OQGSWEBBUGVKPE-RHSMWYFYSA-N 319.405 -0.066 30 20 DBED C[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1CC1 1793261353 IZQUZTUXKCGGOE-DNVSUFBTSA-N 306.362 -0.630 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCCN1C 1793640750 LECFXYTVYGVGJM-XFMPKHEZSA-N 305.378 -0.697 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](N)[C@@H](C)CC 1795556128 GJDRGMGASIOQHZ-QIRZIZBZSA-N 307.394 -0.417 30 20 DBED C#CCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CNC(=N)N 1795984522 GLQAMJYZGGKZIH-ZSBIGDGJSA-N 305.382 -0.479 30 20 DBED CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)S)CCO2 1840158649 OCZHBPLQNAWQJJ-MFKMUULPSA-N 302.396 -0.219 30 20 DBED N#CCCC(=O)N1CC2(CCCN2C(=O)CC[C@H](N)C(N)=O)C1 1842944750 OAWBPPRKXNVAAD-NSHDSACASA-N 321.381 -0.914 30 20 DBED C#CC(=O)N1CCCC12CN(C(=O)CC(F)(F)C(=O)O)C2 1845958941 PHUWTDBBEYCNJE-UHFFFAOYSA-N 300.261 -0.067 30 20 DBED N#CC1(C(=O)N2CCCC23CN(C(=O)CNC(=N)N)C3)CCC1 1846976115 XBTNBEOMUKUQAI-UHFFFAOYSA-N 318.381 -0.633 30 20 DBED C#CCCC(=O)N1CCCC12CN(C(=O)CC[C@H](N)C(N)=O)C2 1846995641 BWVYKNGQWMXJRH-LBPRGKRZSA-N 320.393 -0.804 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN([C@@H](C)C(=O)NC2CC2)CC1 25319539 KAZYDNMJBKQKHN-STQMWFEESA-N 308.426 -0.038 30 20 DBED CNC(=O)C1CCC(Nc2c(C#N)c(=O)n(C)c(=O)n2C)CC1 63282380 JACBXNYPFNFIOG-UHFFFAOYSA-N 319.365 -0.328 30 20 DBED C=CCN(CC(=O)N1CCN(C)CC1)[C@@H]1CCS(=O)(=O)C1 179004819 XPXDRIIARPJAPY-CYBMUJFWSA-N 315.439 -0.565 30 20 DBED CC/N=C(/NC[C@@H]1CN2CCN1CC2)N[C@@H]1CCN(C2CC2)C1 261945713 LBKKXZUYHDOQNM-GDBMZVCRSA-N 320.485 -0.222 30 20 DBED C=CCN1CC[C@@H](N2C(=O)N[C@@](C)(c3cnn(C)c3)C2=O)C1=O 281004517 NXRDYEDIMVOENC-ABAIWWIYSA-N 317.349 -0.026 30 20 DBED C#Cc1cc(F)c(NC(=O)C(=O)N2C[C@H](O)[C@H](O)C2)c(F)c1 283578964 KGAKWPQTPPPRTG-PHIMTYICSA-N 310.256 -0.551 30 20 DBED Cc1nc(C(=O)NCCNS(=O)(=O)N(C)C)ccc1C#N 288289465 RVHQNKPOYSQSNN-UHFFFAOYSA-N 311.367 -0.613 30 20 DBED C=C[C@@H](CO)NS(=O)(=O)c1cccc(S(C)(=O)=O)c1 290143614 IGNHXEDFOLSKDF-VIFPVBQESA-N 305.377 -0.085 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1CC[C@@H](CS(C)(=O)=O)C1 292208953 MHRXVNVETFWFJO-WDEREUQCSA-N 317.411 -0.247 30 20 DBED Cn1c(NCc2ccnc3ccnn23)c(C#N)c(=O)n(C)c1=O 302060836 RDOLRTYUKULQEV-UHFFFAOYSA-N 311.305 -0.390 30 20 DBED CN1CCO[C@H]2CN(S(=O)(=O)c3cncc(C#N)c3)C[C@H]21 329777971 KUKJCEWHOSUCQI-OLZOCXBDSA-N 308.363 -0.343 30 20 DBED C[C@@H]1CN(C(=O)Cn2cnc(C#N)n2)C[C@@]2(CCO[C@@H]2C)O1 329887456 XLIAZEHZRIKLCI-JTNHKYCSSA-N 305.338 -0.055 30 20 DBED CCS(=O)(=O)C[C@H](C)/N=C(/O)N1CCO[C@H](C(=O)OC)C1 330756721 HNFFJUNHYYKFRG-UWVGGRQHSA-N 322.383 -0.403 30 20 DBED CNS(=O)(=O)c1cc(/C(O)=N/CC(=O)N(C)C)c(C)o1 331065445 QGXGCITXAGEFTD-UHFFFAOYSA-N 303.340 -0.111 30 20 DBED COCCO[C@@H]1CCN(/C(O)=N/CC(=O)N2CCOCC2)C1 331229850 PPUINNGDXUMGSX-GFCCVEGCSA-N 315.370 -0.504 30 20 DBED COC(=O)C1(NS(=O)(=O)N2CCO[C@@H](C#N)C2)CCC1 336934755 DXQSWOZCLLINJG-VIFPVBQESA-N 303.340 -0.859 30 20 DBED Cc1cc(NC(=O)C(=O)NC[C@H](C)CN(C)C)nn1CCC#N 340657082 GHQLLJGCBHZKKD-NSHDSACASA-N 320.397 0.358 30 20 DBED C=CC[C@@H](CO)CNC(=O)C(=O)Nc1nn(C(C)C)cc1C#N 341429604 HTFIKARNZYGCGB-LLVKDONJSA-N 319.365 0.575 30 20 DBED Cc1ccc(C#N)cc1NC(=O)C(=O)NC[C@]1(O)CCN(C)C1 358121231 LFUGNBJVVJUTHT-MRXNPFEDSA-N 316.361 -0.012 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N[C@H](CN)CCCC)nn1 424546722 NOWZPWHIKOAVLT-NSHDSACASA-N 308.386 -0.286 30 20 DBED C#C[C@@H](CC)NC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 491803482 JOJNFKPCSRKEDG-KGLIPLIRSA-N 307.394 -0.305 30 20 DBED N#Cc1c(N2CCN3C(=O)C(=O)NC[C@H]3C2)ncc2c1CCC2 563618675 CTDPSSBHDKUHQQ-NSHDSACASA-N 311.345 -0.411 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N(CCO)CCOCCO 569867697 LISZFYUEAIGYRE-LBPRGKRZSA-N 323.415 -0.984 30 20 DBED CC[C@@H](NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N)C(=O)O 572601997 DXFUFXBVCVGVNN-SECBINFHSA-N 321.337 0.428 30 20 DBED COC[C@]1(C(=O)O)CCN(S(=O)(=O)N(C)C[C@H](C)C#N)C1 593271729 PGGXLWHTZCZPBT-PWSUYJOCSA-N 319.383 -0.254 30 20 DBED Cc1cc(N(C)CCC(N)=O)c(C#N)c(N(C)CCC(N)=O)n1 596231039 GAAUZOIAEPYYKO-UHFFFAOYSA-N 318.381 -0.115 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCCC2CSC2)C1=O 616401700 VCRCGGLKLGTGSG-UHFFFAOYSA-N 311.363 -0.168 30 20 DBED CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)N1CCOC[C@@H]1C#N 619582646 SAXWEIJPQXRISD-QWRGUYRKSA-N 310.354 -0.856 30 20 DBED C[C@@]1(c2ccc(C#N)cc2)NC(=O)N(CC(=O)NCC#N)C1=O 728148435 DXOQDXNRZUEYLO-HNNXBMFYSA-N 311.301 -0.035 30 20 DBED N#Cc1ccc(C(=O)N(CCN2CCOCC2)CC(=O)O)cn1 739101705 KTAZXRMDVZPBKD-UHFFFAOYSA-N 318.333 -0.188 30 20 DBED C#CCCN1CCN(C(=O)CS(=O)(=O)NC(C)(C)C)CC1 744425538 PDNYQNILOGTHHJ-UHFFFAOYSA-N 315.439 -0.128 30 20 DBED C#CCNC(=O)COC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C 770097664 IWXRFCHECHQTOR-JTQLQIEISA-N 304.368 -0.757 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H]2CCC=CO2)C1=O 781496764 LXVKMRZFFJRQTD-JTQLQIEISA-N 307.306 -0.228 30 20 DBED C#CCNS(=O)(=O)N1CCN(C[C@@H](O)CCC(C)C)CC1 796451877 ZGJPOGYHKRBPGW-AWEZNQCLSA-N 317.455 -0.131 30 20 DBED C#C[C@H](NC(=O)C(=O)N(CCO)CC(F)F)[C@@H]1CCCO1 809308203 GSMSZMHJOLHHNW-UWVGGRQHSA-N 304.293 -0.631 30 20 DBED O=C(N[C@@H]1CCCN(O)C1=O)c1cn(Cc2ccccn2)nn1 820481926 BEZMWBGOQOOYDC-LLVKDONJSA-N 316.321 -0.169 30 20 DBED N#C[C@H]1CNC[C@@H]1NC(=O)CCNC(=O)Cc1ccccc1 834516982 OLKFZRIYEGFUIR-KBPBESRZSA-N 300.362 -0.037 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)Cn2nccc2C)CC1 859180444 XFJDSGHCBMOGDS-UHFFFAOYSA-N 303.366 -0.915 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)CC(=O)N1CCC[C@H](C(=O)O)C1 909434444 VJRVAUPWPMNPAU-RYUDHWBXSA-N 310.350 -0.194 30 20 DBED CC(C)OCCS(=O)(=O)NCC(=O)NCC#CCN(C)C 913518920 GQFCOAGLVOLNKV-UHFFFAOYSA-N 319.427 -0.988 30 20 DBED CO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1NC(=O)c1cncnc1 941594800 MGTRLVFKKMPXMI-YUSALJHKSA-N 303.322 -0.408 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CN2CCN(C)C(=O)C2)[C@H](C)C1 942199559 DUJFHNDUCZTCTE-HUUCEWRRSA-N 320.437 -0.390 30 20 DBED Cn1cncc1C(=O)NC[C@@H]1CN(C(=O)C#CC2CC2)CCO1 944658234 OYGFGGFWOKGFKO-CYBMUJFWSA-N 316.361 -0.209 30 20 DBED N#CCN1CCC2(CC1)CN(C(=O)[C@H]1CCCC(=O)N1)CCO2 949121238 YYWGCDLZWZMPCX-CYBMUJFWSA-N 320.393 -0.128 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H](NC(=O)c2cc(=O)n(C)o2)C1 951867392 FZFAITUWNQDFCH-VHSXEESVSA-N 306.322 -0.141 30 20 DBED CCN1C[C@H](C(=O)N(C)C2CN(C(=O)[C@H](C)C#N)C2)CC1=O 954485701 FTEFDSWDROAJRG-GHMZBOCLSA-N 306.366 -0.316 30 20 DBED N#Cc1ccc(C(=O)NC2[C@@H]3CN(Cc4nc(O)n[nH]4)C[C@@H]23)[nH]1 958590349 PLLCBTYSMLYRCS-RKDXNWHRSA-N 313.321 -0.430 30 20 DBED Cc1cccnc1C(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1O 962141589 AFMYVJIJFJFUQQ-TUAOUCFPSA-N 302.334 -0.149 30 20 DBED Cc1cc(C)n2nc(C(=O)NC3[C@H]4CN(CC#N)C[C@H]34)nc2n1 962457270 UFEGXZMFVOPZHQ-QWRGUYRKSA-N 311.349 -0.075 30 20 DBED O=C1CC[C@@H](C(=O)NC[C@@H]2COCCN2C(=O)C#CC2CC2)N1 964276792 GCAXIXQZFOFKBU-OLZOCXBDSA-N 319.361 -0.978 30 20 DBED C[C@H](C#N)C(=O)N1CC2(C[C@@H](NC(=O)c3cnon3)CO2)C1 965794080 XLXQDFVBLTYCCC-RKDXNWHRSA-N 305.294 -0.671 30 20 DBED CCN(C(=O)[C@@H]1CCC(=O)N1C)C1CN(C(=O)[C@H](C)C#N)C1 968243683 MMEAXEHGDPROLN-PWSUYJOCSA-N 306.366 -0.174 30 20 DBED C=CCN1CC[C@H](C)[C@H](NC(=O)c2cn(CC(N)=O)nn2)C1 968680773 DHDMDPLLUISFNV-WDEREUQCSA-N 306.370 -0.610 30 20 DBED C#CCCN1C[C@H]2CC[C@H]1CN2C(=O)CN1CCC(=O)NC1=O 971994989 RUFJUZBIHUPIGA-QWHCGFSZSA-N 318.377 -0.373 30 20 DBED C#CCCN1CCO[C@]2(CCN(C(=O)[C@H]3CN(C)CCO3)C2)C1 972316330 LOTJQUJQLKEWEL-NVXWUHKLSA-N 321.421 -0.356 30 20 DBED N#CCN1CCO[C@@]2(CCN(C(=O)Cn3ccccc3=O)C2)C1 972669022 HBGVMCXCZVUAEF-INIZCTEOSA-N 316.361 -0.325 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)CCc3cn(C)nn3)C2)C1 972705240 SXTJMRSMSGZUMR-INIZCTEOSA-N 317.393 -0.316 30 20 DBED C=CCN1C[C@H](NC(=O)Cn2nc(C)n(C)c2=O)C(C)(C)C1 977538868 JUIDECKYUBUBML-LBPRGKRZSA-N 307.398 -0.097 30 20 DBED C#CCCN1C[C@@H]2C(CNC(=O)c3cn(C)c(=O)n3C)[C@H]2C1 979106522 VQMNSHASIAPBRM-CHWSQXEVSA-N 302.378 -0.345 30 20 DBED C[C@H](NCc1cn(C)nn1)[C@H]1CN(C(=O)C#CC2CC2)CCO1 979325631 CDHVJNVGYRCNTQ-SWLSCSKDSA-N 317.393 -0.066 30 20 DBED C[C@]1(C(=O)N2CC(NC(=O)c3ccc(C#N)[nH]3)C2)CCNC1=O 990893664 TWNZSWRKKPOHGH-HNNXBMFYSA-N 315.333 -0.647 30 20 DBED C=C[C@@](C)(CC)C(=O)N1CC(NC(=O)c2nnc(O)nc2O)C1 996747324 YHHFUMYKBPLHEC-AWEZNQCLSA-N 321.337 -0.174 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C(N)=O 996922588 XIUMHKSMEVPBQD-MOLYVOAJSA-N 321.377 -0.299 30 20 DBED C#Cc1cncc(C(=O)NC2CN(C(=O)c3cnn(C)c3N)C2)c1 999301904 DRCSFWMSZZKEER-UHFFFAOYSA-N 324.344 -0.367 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CCC(=O)N2)C1 1000005468 NHCRFLITHZRTQS-UTUOFQBUSA-N 307.350 -0.817 30 20 DBED C[C@H](C#N)C(=O)N1CC(NC(=O)[C@H]2CCCCN2C(N)=O)C1 1000218654 NTHQHDUTNSXADV-MWLCHTKSSA-N 307.354 -0.594 30 20 DBED C#CCN1CC=C(CNC(=O)c2cn(CCOC)nn2)CC1 1000666711 OJMBHHZZYNKAAN-UHFFFAOYSA-N 303.366 -0.080 30 20 DBED C[C@@H](C#N)C(=O)N1CC(CNC(=O)c2ccnc3[nH]nnc23)C1 1003418848 PQDWBACYLUKATE-QMMMGPOBSA-N 313.321 -0.299 30 20 DBED NC(=O)[C@@H]1CC[C@H]1C(=O)NCC1CN(C(=O)C#CC2CC2)C1 1003547107 DWDANDHEOFWAKD-CHWSQXEVSA-N 303.362 -0.514 30 20 DBED O=C(C#CC1CC1)N1CCN(C(=O)CCn2cncn2)CC1 1010375332 GDHADGDORJHEDY-UHFFFAOYSA-N 301.350 -0.248 30 20 DBED O=C1NCCC[C@@H]1C(=O)NC1[C@H]2CN(C(=O)C#CC3CC3)C[C@H]12 1013259411 SAEJWNHGHZTRLI-AVGNSLFASA-N 315.373 -0.501 30 20 DBED C=C(Br)CN1CC[C@@H](NC(=O)Cn2ncnn2)C1 1014424460 BVMANSBTQVBTMA-SECBINFHSA-N 315.175 -0.228 30 20 DBED C[C@H](C#N)C(=O)N1CC=C(CNC(=O)[C@@H]2CCNC(=O)C2)CC1 1017375927 TWZIDBMGYLRYAP-DGCLKSJQSA-N 318.377 -0.053 30 20 DBED C=CCN1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(=O)n2[nH]cnc2n1 1018168984 GREZFPWSWCKPGT-PHIMTYICSA-N 314.349 -0.108 30 20 DBED N#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)CN2CCOCC2=O)C1 1021605876 OAUYKRHIWQYPRQ-UONOGXRCSA-N 320.393 -0.318 30 20 DBED C=C(C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnn[nH]2)C1 1024552082 KLTQYJVTFGEVOE-GHMZBOCLSA-N 307.354 -0.292 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1[C@@H]2CN([C@H](C)C(N)=O)C[C@@H]21 1025790051 XAROWKPJVYIDKH-TVQXOTEMSA-N 307.394 -0.112 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)[C@H]3OCCO[C@H]3C)C2)C1=O 1030466157 VUIVIWFXWAYYQD-UBHSHLNASA-N 323.393 -0.622 30 20 DBED C=C(Cl)CN1CCO[C@H](CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 1035513843 IQHNJOPQYXIKHZ-MXWKQRLJSA-N 301.774 -0.323 30 20 DBED C#CCN1CCO[C@H](CNC(=O)[C@@H]2CCCS(=O)(=O)C2)C1 1035530973 PEXDSFFCOVPFQE-CHWSQXEVSA-N 314.407 -0.739 30 20 DBED CC[C@H]1CN(C(=O)CN2C(=O)CNC2=O)CC[C@@H]1NCC#N 1037987466 UYPJOOZVKQEMQU-QWRGUYRKSA-N 307.354 -0.722 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2CCN2CC(=O)N2CCC2)nn1 1038784802 VODZPQMTELRKJY-LBPRGKRZSA-N 318.381 -0.500 30 20 DBED N#CCN1CC[C@H](C2CCN(C(=O)[C@H]3CNC(=O)N3)CC2)C1 1039155870 VWRXRKLJTUSPAF-QWHCGFSZSA-N 305.382 -0.248 30 20 DBED CC(=O)N[C@H](C)C(=O)N1CC[C@@](O)(CNC(=O)C#CC(C)C)C1 1039664480 QTODKHZTPPKMOR-MLGOLLRUSA-N 323.393 -0.750 30 20 DBED C=CCC(CC=C)C(=O)NC[C@@]1(O)CCN(C(=O)CC(N)=O)C1 1039805531 BMBAAEVLEJPIPT-INIZCTEOSA-N 323.393 -0.290 30 20 DBED COCC(=O)N1CC[C@@H]2OCCN(c3cncc(C#N)n3)[C@@H]2C1 1039990826 YOJGKKIFGXXYCO-OLZOCXBDSA-N 317.349 -0.199 30 20 DBED N#Cc1cnc(N2C[C@@H]3CCN(C(=O)C(N)=O)[C@@H]3C2)c(F)c1 1040795375 WQQNODXAMXNTDN-GXSJLCMTSA-N 303.297 -0.385 30 20 DBED N#Cc1cncc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCCO3)C2)n1 1040898151 JECYFZLZQSYYLT-UTUOFQBUSA-N 303.322 -0.807 30 20 DBED N#Cc1nccnc1N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCOC2)C1 1040943540 CHWIHVWEPPFNAN-CYZMBNFOSA-N 317.349 -0.559 30 20 DBED C=CCCCC(=O)N1CC[C@](O)(CNC(=O)Cn2cncn2)C1 1040961261 BGFKYVBMJXKSST-HNNXBMFYSA-N 321.381 -0.286 30 20 DBED N#Cc1nccc(N2C[C@@H](O)[C@H](NC(=O)c3csnn3)C2)n1 1041263652 UNWCQEAPTMXNSH-VXNVDRBHSA-N 317.334 -0.821 30 20 DBED CCO[C@@H](CC)C(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1041823701 OHADUPREUXAHMI-ZDUSSCGKSA-N 308.378 -0.096 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)C[C@@H]2CCOC2)C1 1042802452 JHZFGCLNJJZEFD-ZDUSSCGKSA-N 308.378 -0.094 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC(O)(CNC(=O)[C@@H]3CC3(F)F)C2)c1 1042909581 DNEWQGUCUHFWSZ-VIFPVBQESA-N 324.287 -0.155 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)[C@H]2CC23CC3)C1 1043035747 COLXCGBDVPSYDL-GFCCVEGCSA-N 306.362 -0.484 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)c2ncn(C)n2)C1 1044456048 PGGRBBVOFAGNCW-UHFFFAOYSA-N 307.354 -0.670 30 20 DBED CC(C)(C)C#CC(=O)N1CC(O)(CNC(=O)c2cnon2)C1 1045184404 HMDSTJWGRGCEJV-UHFFFAOYSA-N 306.322 -0.578 30 20 DBED C=CCN1CC[C@@H](N2CCN(C(=O)c3cnn(C)n3)CC2)C1 1046069846 LSSDEKLYBUYPMH-CYBMUJFWSA-N 304.398 -0.167 30 20 DBED C=CCN1CC[C@@H](N2CC[C@](C)(NC(=O)c3cnn[nH]3)C2)C1=O 1046441726 MYCFEAZUVDPMNC-DOMZBBRYSA-N 318.381 -0.214 30 20 DBED N#Cc1cnc(N[C@H]2C[C@@H](CNC(=O)[C@H]3C[C@H]3C(N)=O)C2)cn1 1046593538 VNRUFBJLWATWFD-DMWPJOQESA-N 314.349 -0.224 30 20 DBED COCc1cncc(C(=O)N(C)[C@H]2CN(CC#N)C[C@@H]2O)c1 1047413933 BJOQRCDOPXPRFS-KBPBESRZSA-N 304.350 -0.131 30 20 DBED CN(C(=O)[C@@H](C1CC1)N1CCCC1)[C@H]1CN(CC#N)C[C@@H]1O 1047470031 FAJIJBULMWWLTJ-SOUVJXGZSA-N 306.410 -0.112 30 20 DBED C=CCOCC(=O)N(C)[C@H]1CN(C(=O)c2ccn(C)n2)C[C@@H]1O 1048558031 KHZMIHQYPCESFU-STQMWFEESA-N 322.365 -0.734 30 20 DBED C=C[C@@](C)(O)CC(=O)N(C)[C@H]1CN(C(=O)c2cc[nH]c2)C[C@@H]1O 1048761771 HSNMTKFLEXSYAR-HEHGZKQESA-N 321.377 -0.015 30 20 DBED CC[C@@H](C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C#CC2CC2)C1)N(C)C 1048821148 HVOHDNQSCYBXSD-KKUMJFAQSA-N 321.421 -0.230 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cc2nc[nH]n2)C1 1049593375 AIGLMQDRYFRRTR-RYUDHWBXSA-N 319.365 -0.819 30 20 DBED C#CCOCCC(=O)N[C@@H](C)[C@@H]1CCN(C(=O)CC(=O)NC)C1 1050558378 NDNIJZSKSFHSRV-QWHCGFSZSA-N 323.393 -0.484 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)[C@H]1CCCCS1(=O)=O 1050953530 GTDNPPALGFAMJX-QWHCGFSZSA-N 314.407 -0.596 30 20 DBED C=CCN1CCN([C@H]2CCN(C(=O)c3c[nH]c(=O)cn3)C2)CC1 1052071523 URVQRNDZKXODRL-ZDUSSCGKSA-N 317.393 -0.212 30 20 DBED C#CCN1CCN([C@@H]2CCN(C(=O)C[C@H]3CCC(=O)N3)C2)CC1 1052096416 KACWENKQODSAQJ-HUUCEWRRSA-N 318.421 -0.493 30 20 DBED C=C(Cl)CN1CC2(C1)CN(C(=O)[C@@H]1COC(=O)N1)CCO2 1053241036 DYMGYFAMBCFJSI-JTQLQIEISA-N 315.757 -0.240 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)c3cc(C(N)=O)cs3)CO2)C1 1054017614 HGSYMCOMGXBNPY-JTQLQIEISA-N 320.374 -0.056 30 20 DBED N#Cc1ccc(N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)Cn2cncn2)nn1 1055333455 IGRBOHDLSOGMBN-UPJWGTAASA-N 324.348 -0.134 30 20 DBED N#Cc1nccnc1N1CCN(C(=O)[C@@H]2COCCO2)CC1 1055727882 LZXFTUMAGFRDOH-LBPRGKRZSA-N 303.322 -0.588 30 20 DBED C=CCC(CC=C)C(=O)N[C@@]1(CO)CCCN(C(=O)C(N)=O)C1 1055958541 LUKSVPUUSKFJSD-INIZCTEOSA-N 323.393 -0.290 30 20 DBED N#Cc1ccc(N2CCN(C(=O)c3c[nH]c(=O)cn3)CC2)cn1 1055989712 BQWLBJGUXLOXMI-UHFFFAOYSA-N 310.317 -0.001 30 20 DBED C[C@@H](C#N)C(=O)N[C@]1(CO)CCCN(C(=O)c2cnccn2)C1 1056094056 PLWKZSXPYVLOKC-XHDPSFHLSA-N 317.349 -0.280 30 20 DBED Cc1cc(C(=O)N2CCC[C@@](CO)(NC(=O)[C@@H](C)C#N)C2)n[nH]1 1056095019 ZYTZYJXRWPOUEN-ZUZCIYMTSA-N 319.365 -0.039 30 20 DBED N#Cc1nccnc1N1C[C@@H]2C(NC(=O)Cn3nccn3)[C@H]2C1 1056315665 HBLHMVNCCLVRTD-UWVGGRQHSA-N 310.321 -0.809 30 20 DBED Cn1cnc(C(=O)N2CCCN(c3nccnc3C#N)CC2)n1 1057132611 UCTOYACYSGRGBM-UHFFFAOYSA-N 312.337 -0.171 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)c1cncnc1O 1057172756 QMSXFHMEQWIDGY-UHFFFAOYSA-N 308.338 -0.301 30 20 DBED C#CCO[C@H](C)C(=O)N(CCO)CCNC(=O)COC(C)C 1057583607 UWSSCLCELNZLLD-CYBMUJFWSA-N 314.382 -0.613 30 20 DBED Cn1nnc(C(=O)NC2CCN(c3nccnc3C#N)CC2)n1 1057927757 NECNGHAXSKIFRH-UHFFFAOYSA-N 313.325 -0.729 30 20 DBED N#Cc1ccc(N2CC[C@@H](NC(=O)C[C@@H]3COC(=O)C3)C2)nn1 1058339035 ICWUAWXNGHUJBN-CMPLNLGQSA-N 315.333 -0.004 30 20 DBED C=CCCCC(=O)N(CCO)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1058621968 WGXTXROWMOCVKK-VXGBXAGGSA-N 313.354 -0.055 30 20 DBED COC(=O)NCC(=O)N1CC2(CCN(C(=O)[C@@H](C)C#N)CC2)C1 1060928709 IBXJABKADAUUNP-NSHDSACASA-N 322.365 -0.047 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCN(C(=O)CNC(N)=O)CC2)C1 1061112588 GXPJAOCAORXKJI-SNVBAGLBSA-N 307.354 -0.735 30 20 DBED C[C@H](CC(=O)NCC1(NC(=O)[C@H](C)C#N)CCC1)NC(N)=O 1063051504 SHNALYKLUYJOJL-NXEZZACHSA-N 309.370 -0.252 30 20 DBED C=CC(C)(C)C(=O)NC[C@H]1CN(C(=O)c2cnnn2C)CCO1 1065105839 VPBXFBMSINVSLD-NSHDSACASA-N 321.381 -0.016 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(C(=O)c2cnon2)CCO1 1065507795 SZFCFFMALFIPOC-NSHDSACASA-N 304.306 -0.560 30 20 DBED C=CCOCC(=O)N1CCC[C@H](NC(=O)Cn2cnnn2)CC1 1065830600 GTVLRBOCVWMJRE-LBPRGKRZSA-N 322.369 -0.627 30 20 DBED Cc1cc(C#N)nc(N2CC[C@@H]3[C@H]2CCCN3C(=O)C(N)=O)n1 1066183382 PFCXXKIWOIBLQT-VXGBXAGGSA-N 314.349 -0.288 30 20 DBED C=CCCOCC(=O)N(C)CCCN(C)C(=O)Cn1cnnn1 1066786296 PNMHPQZFVBDWBC-UHFFFAOYSA-N 324.385 -0.427 30 20 DBED C=CCOCC(=O)N(C)CCCN(C)C(=O)CCNC(N)=O 1067001458 ZTUVFBXIPHHNCG-UHFFFAOYSA-N 314.386 -0.446 30 20 DBED C=CCCC(=O)N[C@@H]1COC2(C1)CN(C(=O)Cn1nccn1)C2 1068754035 WEAMBNDDYZQJLI-LBPRGKRZSA-N 319.365 -0.270 30 20 DBED C=C[C@H](CC)CC(=O)N1CC2(C[C@@H](NC(=O)CC(N)=O)CO2)C1 1068781364 ANPFVSPXLBLLKC-VXGBXAGGSA-N 323.393 -0.050 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2cnc(C)cn2)C1 1069893121 GWNKHTVVVZAWEH-KGLIPLIRSA-N 311.349 -0.335 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H]2CCC(=O)NC2)C1 1069964505 PJDGGNIQIHFUBT-XQQFMLRXSA-N 318.381 -0.668 30 20 DBED C=C(C)CN1C[C@H]2C[C@@H]3CN(C(=O)Cn4cnnn4)C[C@@]3(C1)O2 1070757610 WQHKZNVUZSFLMK-UMVBOHGHSA-N 318.381 -0.449 30 20 DBED C#CCCN1C[C@H]2C[C@@H]3CN(C(=O)c4cnnn4C)C[C@@]3(C1)O2 1070795071 JOTAMYRRIZRIKD-XJKCOSOUSA-N 315.377 -0.246 30 20 DBED C=CCN1CC[C@@]2(C1)CN(C(=O)c1nnn(C)n1)C[C@@H](C)O2 1071196878 JVMFMUQDPRIPFP-BXUZGUMPSA-N 306.370 -0.299 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C 1071875603 WTPBWSZFNWTFEY-NOZJJQNGSA-N 317.349 -0.401 30 20 DBED C=C(C)CN1C[C@H](NC(=O)c2cn(CC(N)=O)nn2)CC[C@@H]1C 1072098932 INIPMGYVADVIJJ-NWDGAFQWSA-N 320.397 -0.078 30 20 DBED C#CCCN1CCC2(C1)CN(C(=O)c1nnc(O)nc1O)C2 1072898130 KKEYAQRSACVKHN-UHFFFAOYSA-N 303.322 -0.546 30 20 DBED C=CCC(C)(C)C(=O)NCC1(O)CCN(C(=O)C(N)=O)CC1 1074702538 BXESLLOWNAGPSU-UHFFFAOYSA-N 311.382 -0.456 30 20 DBED C[C@@H]1C[C@H](NC(=O)C#CC2CC2)CCN1C(=O)Cn1cnnn1 1074980290 WQEVJUCYENBIGC-DGCLKSJQSA-N 316.365 -0.418 30 20 DBED CC(C)C#CC(=O)N1CC[C@H](NC(=O)Cn2ncnn2)C[C@@H]1C 1075004146 LYLMPCPLBTVYPA-STQMWFEESA-N 318.381 -0.172 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)c2cc3c([nH]2)CCOC3)C1 1077121344 SIQKNXNOKKCXLY-HUUCEWRRSA-N 303.362 -0.114 30 20 DBED Cn1cnc2cncc(C(=O)N[C@@H]3CN(CC#N)C[C@H]3O)c21 1077166884 NKSJYZLNXWURBY-VXGBXAGGSA-N 300.322 -0.733 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)CC2CS(=O)(=O)C2)C1 1077263383 WHNOUHYLKWIGDJ-CHWSQXEVSA-N 316.423 -0.451 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCN(C(N)=O)C2)C1 1077336585 DGLMLTYZQZNDJW-BFHYXJOUSA-N 324.425 -0.095 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCc3nn[nH]c32)C1 1077584976 MABXXMXFRLVJCJ-CYZMBNFOSA-N 305.382 -0.038 30 20 DBED C=C1CCC(C(=O)N[C@@H]2CN(Cc3nc(O)n[nH]3)C[C@H]2O)CC1 1077622664 VUNKRIZNEFSUJA-VXGBXAGGSA-N 321.381 -0.082 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)c2ccc(=O)n(CCC)n2)C1 1078163602 WWLUWYSEADLYHW-CHWSQXEVSA-N 306.366 -0.386 30 20 DBED N#Cc1ccc(C(=O)N2C[C@H]3CC[C@H]2[C@@H](NCC(N)=O)C3)[nH]1 1078926541 OJTBLVFNEIBMRS-XDTLVQLUSA-N 301.350 -0.046 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(N(CC)C(=O)c2cn(C)nn2)C1 1079709504 FNCVOTOMPHTKMA-LLVKDONJSA-N 319.365 -0.474 30 20 DBED C#CCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)[C@H](C)NC(N)=O)C1 1079774529 FOFNZAYRTIWEJM-QWRGUYRKSA-N 324.381 -0.859 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CO)(NC(=O)Cn2ccnc2)CC1 1080905090 KKDGDKXWBPZRKV-GFCCVEGCSA-N 319.365 -0.488 30 20 DBED C[C@H](C#N)C(=O)NC1(CO)CCN(C(=O)c2cnco2)CC1 1080983878 YYLWWJQSUGWZFP-SNVBAGLBSA-N 306.322 -0.082 30 20 DBED C#CCC1(C(=O)N2C[C@@H](O)[C@H](CNC(=O)COC)C2)CCC1 1081185487 CMKZJCYUOCUOCL-CHWSQXEVSA-N 308.378 -0.238 30 20 DBED COCCC(=O)N1C[C@H](CNC(=O)CSCC#N)[C@@H](O)C1 1081286713 OLDWOLLOWJINQJ-QWRGUYRKSA-N 315.395 -0.785 30 20 DBED Cc1nonc1C(=O)NC[C@H]1CN(C(=O)C#CC(C)C)C[C@@H]1O 1081580503 PBZIIKLFLBJULV-RYUDHWBXSA-N 320.349 -0.413 30 20 DBED CCC(=O)N1CC[C@@H](C(=O)N[C@@H]2CN(CC#N)C[C@H]2OC)C1 1082308914 LHTLIVYNHVIQHY-JHJVBQTASA-N 308.382 -0.416 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cnn2ccncc12 1083107014 IEYMEYKBHMODGR-LSDHHAIUSA-N 311.345 -0.112 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCn3cc(C)nc3C2)C1 1083568805 OOMBQFLHOCLRAQ-ZNMIVQPWSA-N 316.405 -0.061 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCc3cnn(C)c3C2)C1 1083728261 NHBYSQZOMVJNBY-KYOSRNDESA-N 304.394 -0.128 30 20 DBED CN(C)C(=O)c1ccccc1C(=O)N[C@@H]1CN(CC#N)C[C@@H]1O 1083963763 FMJAOUIFGGMFGV-KGLIPLIRSA-N 316.361 -0.313 30 20 DBED CC#CCN1CC[C@@H]2CN(C(=O)CN3C(=O)CCC3=O)[C@@H]2C1 1084820763 NTCCAZGRHIZMIC-CHWSQXEVSA-N 303.362 -0.309 30 20 DBED C#CCN[C@H]1C[C@@H](CNC(=O)C2CC3(C2)CS(=O)(=O)C3)C1 1086121422 RUKUSTHCNTWFLP-BJHJDKERSA-N 310.419 -0.071 30 20 DBED CCN(c1cnc(C#N)cn1)[C@H](C)CNC(=O)[C@H]1C[C@H]1C(N)=O 1089752441 MZGNYTQCWILVRV-JLLWLGSASA-N 316.365 -0.199 30 20 DBED CCOCCC(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1O 1090385246 CJVJDWKEHBOKKM-VXGBXAGGSA-N 305.338 -0.559 30 20 DBED CC(C)[C@@H](O)C(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1091091511 KZKDTZHUAKZHSN-NTZNESFSSA-N 305.338 -0.969 30 20 DBED Cc1cc(N2C[C@H](O)[C@H](NC(=O)C#CC(C)C)C2)nc(CO)n1 1091096628 WAOZGBBWJKKHTN-OLZOCXBDSA-N 318.377 -0.398 30 20 DBED Cc1nc(C(=O)NCC2CC(NCC#N)C2)nn1-c1nc[nH]n1 1091172208 ZKLUYIWDJCMEDR-UHFFFAOYSA-N 315.341 -0.685 30 20 DBED N#Cc1nccnc1N[C@H]1C[C@H](CNC(=O)Cn2ncnn2)C1 1091482505 LBBMOEZAAZSJPM-MGCOHNPYSA-N 313.325 -0.658 30 20 DBED N#Cc1cncc(N2C[C@H]3C(NC(=O)CCc4cnn[nH]4)[C@@H]3C2)n1 1093361577 PFCLOOVGYHWRTI-VXGBXAGGSA-N 324.348 -0.350 30 20 DBED C#CCN1CC(n2cc(CNC(=O)[C@H]3CCO[C@H]3C)nn2)C1 1094330637 OCJLYXAKSSXOGK-FZMZJTMJSA-N 303.366 -0.191 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)c3cc(OC)no3)CC2=O)C1 1094727887 QMFXAKATIYCLKP-SNVBAGLBSA-N 320.349 -0.116 30 20 DBED CN(CCCNC(=O)Cc1nc[nH]n1)c1ccnc(C#N)n1 1095636727 IVWXFUXVGLHCHR-UHFFFAOYSA-N 300.326 -0.348 30 20 DBED CCC(=O)NCC(=O)N[C@@H]1CCCN(c2ccnc(C#N)n2)C1 1096150608 UMBSSEYTXIWGRK-LLVKDONJSA-N 316.365 -0.041 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CCN(c2ncc(C#N)cc2F)C1 1096309269 BBAWNYPXWXMZSY-LLVKDONJSA-N 305.313 -0.077 30 20 DBED N#Cc1cnc(N[C@H](CNC(=O)[C@@H]2CCNC2=O)C2CC2)cn1 1096782372 BERLNUKUNFLYSU-VXGBXAGGSA-N 314.349 -0.209 30 20 DBED Cc1cc(=N[C@H](C)CNC(=O)[C@H]2CCC(=O)N2)c(C#N)c[nH]1 1097721678 MOGBJYIBJRKUEE-ZYHUDNBSSA-N 301.350 -0.121 30 20 DBED CC#CCNCc1cn([C@@H]2CCN(C(=O)CC(N)=O)C2)nn1 1098639924 ARTONWFFPLZATJ-GFCCVEGCSA-N 304.354 -0.960 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2cnn(C)c2)[C@H](O)C1 1099651161 QARMDQLKLGTEBO-ZIAGYGMSSA-N 306.366 -0.765 30 20 DBED C=C(Cl)CN1CC[C@@H](NC(=O)CS(C)(=O)=O)[C@H](O)C1 1099718375 LTHPMTUGUBGUQH-NXEZZACHSA-N 310.803 -0.665 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)/C(C)=C\CC)[C@@H](O)C1 1099721121 OKHRHQPUVNXFNQ-MJMIMOCRSA-N 307.394 -0.357 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CCN(CCOCCO)C[C@H]2O)c[nH]1 1099783873 XUKZVFUYORXYFQ-ZIAGYGMSSA-N 322.365 -0.940 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)Cn2cncc2C)[C@@H](O)C1 1099918962 UPYALWNLFQQSRA-CABCVRRESA-N 322.409 -0.054 30 20 DBED C=CCOCC(=O)NCCN(C)c1ncnc2c1nnn2C 1099959369 UEWUWNFYVSIBQA-UHFFFAOYSA-N 305.342 -0.487 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)CC(C)(F)F)[C@H](O)C1 1099992304 XJPPWHFXGLZXDU-GHMZBOCLSA-N 319.352 -0.115 30 20 DBED C=CCCCN1CC[C@@H](NC(=O)CS(=O)(=O)CC)[C@@H](O)C1 1100129773 RTFPYODQYAUIAW-OLZOCXBDSA-N 318.439 -0.061 30 20 DBED CCN(CCNC(=O)COCCOC)c1nccnc1C#N 1100473104 XVVNQZQONFGGQM-UHFFFAOYSA-N 307.354 -0.046 30 20 DBED C#CCNC(=O)CC(=O)NCCN(CC)c1cc(F)ncn1 1100492444 DTJURGHUDJFOJJ-UHFFFAOYSA-N 307.329 -0.302 30 20 DBED CCN(CCNC(=O)C1CN(C(C)=O)C1)c1ccnc(C#N)n1 1100506087 GOQMXZWBIKRSKA-UHFFFAOYSA-N 316.365 -0.231 30 20 DBED COC(=O)NCC(=O)NC[C@@H]1CCN(c2ccnc(C#N)n2)C1 1100948266 MAVZCTDENMSIFX-JTQLQIEISA-N 318.337 -0.353 30 20 DBED C[C@H](CC(=O)N(C)CCNc1cncc(C#N)n1)NC(N)=O 1101785437 GURXXKCUHLDKKZ-SECBINFHSA-N 305.342 -0.335 30 20 DBED CC[C@H](CNC(=O)Cn1cncn1)Nc1ccc(C#N)nn1 1103086235 WGNRWBGBFWMQIB-SNVBAGLBSA-N 300.326 -0.053 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1CCNC(=O)C1CC(=O)NC(=O)C1 1103532930 YUZFNWCTLVCKKF-GHMZBOCLSA-N 306.366 -0.363 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)c2nc[nH]n2)C1 1103549721 HCOXHNYQIGPXLA-VXGBXAGGSA-N 318.381 -0.758 30 20 DBED CN1C[C@H](C(=O)N(C)CCN(C)c2ccc(C#N)nn2)CC1=O 1105584876 PUIFZTLKBXJHJQ-LLVKDONJSA-N 316.365 -0.279 30 20 DBED Cn1nccc1C(=O)NC[C@H](O)CNc1ncccc1C#N 1105740255 WEPSRAIBVOCCRL-LLVKDONJSA-N 300.322 -0.110 30 20 DBED Cc1cc(C(=O)NC[C@H](O)CNc2cncc(C#N)n2)on1 1105746912 REYRGZMSMWSQJX-SNVBAGLBSA-N 302.294 -0.153 30 20 DBED CN1CCC[C@@H]1C(=O)NC[C@@H](O)CN=c1cc[nH]cc1C#N 1105756114 PHUPCMVTUHFLLH-GXTWGEPZSA-N 303.366 -0.642 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H](O)CNC(=O)CCc1nc[nH]n1 1105784635 MBYKBUUYXJWFGM-NSHDSACASA-N 315.337 -0.985 30 20 DBED N#Cc1cncc(NC[C@H](O)CNC(=O)c2ccnc(O)c2)n1 1105818383 KDSCJEWTRSQQSC-NSHDSACASA-N 314.305 -0.348 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)CO[C@H]2CCOC2)cn1 1105973560 ZKOYXABFLMZWQZ-KBPBESRZSA-N 320.349 -0.352 30 20 DBED CCn1ccc(C(=O)NC[C@H](O)CN=c2cc[nH]cc2C#N)n1 1105982078 IXRNQSZGBQWOIV-GFCCVEGCSA-N 314.349 -0.206 30 20 DBED CN1C(=O)CC[C@H]1C(=O)NC[C@@H](O)CNc1ccc(C#N)nc1 1106056083 ZRXKZAQESOLMMW-STQMWFEESA-N 317.349 -0.537 30 20 DBED CN(C)CC1(C(=O)NC[C@@H](O)CN=c2cc[nH]c(C#N)n2)CC1 1106100747 WTOUMYYBMSEEOD-NSHDSACASA-N 318.381 -0.999 30 20 DBED C[C@@H](C#N)C(=O)NCc1cn(C2CN(C[C@@H]3CCOC3)C2)nn1 1107149552 INSVGXXXPNHUMX-RYUDHWBXSA-N 318.381 -0.053 30 20 DBED C#CCN1CC(n2cc(CNC(=O)[C@@H](C)OCCOC)nn2)C1 1107217440 LJNKKIHFKSVHQA-GFCCVEGCSA-N 321.381 -0.564 30 20 DBED N#Cc1ccc(NC/C=C/CNC(=O)[C@H]2CCNC2=O)nn1 1107453624 ZMUMQQDIMADPGM-FMBMQGQPSA-N 300.322 -0.431 30 20 DBED C#CCCN1CCO[C@](C)(CNC(=O)CNC(=O)C2CC2)C1 1107768497 VWVHKFKHOJSPQV-MRXNPFEDSA-N 307.394 -0.257 30 20 DBED Cc1nsc(NC[C@@H](C)NC(=O)[C@@H]2CNC(=O)N2)c1C#N 1108076077 LIFBUINEORWTOE-MUWHJKNJSA-N 308.367 -0.079 30 20 DBED COCCCN1CC(N2C[C@H](NC(=O)C#CC3CC3)CC2=O)C1 1108544624 HIUCJYILKVWATO-CQSZACIVSA-N 319.405 -0.162 30 20 DBED COCC1(C(=O)N[C@H]2CC(=O)N(C3CN(CC#N)C3)C2)CC1 1108557514 UPIFARMDKOHBLR-NSHDSACASA-N 306.366 -0.662 30 20 DBED CCC[C@@H](OC)C(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1 1108560568 LDDSPSRFQZJTOE-DGCLKSJQSA-N 308.382 -0.274 30 20 DBED C#CCN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)COCc1ncnn1C)C2 1108789683 ONVMGNVFMMCLHJ-MJBXVCDLSA-N 317.393 -0.066 30 20 DBED N#Cc1cnccc1N1C[C@H]2C[C@H]1[C@@H]2NC(=O)CCNC(N)=O 1109708736 MWQQKJMSXYQSSV-LJWDBELGSA-N 314.349 -0.295 30 20 DBED CN1CCOC[C@H]1C(=O)NCC1(Nc2ccnc(C#N)n2)CC1 1110110652 YOFFTCGAAJECJO-NSHDSACASA-N 316.365 -0.260 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H]1CCCNC1=O 1110690313 ZBULRPWKTCDECR-BARDWOONSA-N 319.405 -0.116 30 20 DBED N#CCSCC(=O)NC[C@@H]1CN(c2ncccn2)C[C@@H]1O 1112724941 GSZBVJLWTRYTHA-MNOVXSKESA-N 307.379 -0.353 30 20 DBED C#CCC1(C(=O)N2CCN(CC(=O)NC(=O)NC)CC2)CCC1 1112953278 ONNUTEIRPOQFAG-UHFFFAOYSA-N 320.393 -0.220 30 20 DBED CNC(=O)NCCC(=O)N[C@H](C)[C@H](C)Nc1nccnc1C#N 1113001602 LJSYTYYBCNVXGO-ZJUUUORDSA-N 319.369 -0.028 30 20 DBED COCC#CCN1CCN(C(=O)c2cccnc2C(N)=O)CC1 1113664821 AXXKPBYDHMDRIS-UHFFFAOYSA-N 316.361 -0.412 30 20 DBED C[C@@H](CNC(=O)C[C@@H]1CCNC1=O)N(C)c1ccc(C#N)nn1 1113755437 CLZZMUKJSCHXKW-QWRGUYRKSA-N 316.365 -0.185 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@@H]2CN(CCOCC(C)C)C[C@@H]12 1114160411 XMZIKTUETZXCOS-ZIAGYGMSSA-N 321.421 -0.155 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)C[C@](C)(O)C=C)[C@H]2C1 1114193895 ISWFKHJAUHYGCK-GUYJKWIASA-N 305.378 -0.891 30 20 DBED COC1(CC(=O)NC2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]23)CCC1 1114197285 WHDHMROMTIFHIT-VXGBXAGGSA-N 320.393 -0.368 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)c3n[nH]cc3C)[C@H]2C1 1114234471 LSTBVTMOKLKUBG-CIQGVGRVSA-N 315.377 -0.484 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)[C@H]3OCC[C@H]3C)[C@H]2C1 1114855787 DOCQWXMVJVAXHV-YXMPFFBPSA-N 307.394 -0.240 30 20 DBED C#CCNC1(CNC(=O)[C@@H](C)NS(C)(=O)=O)CCCCC1 1115748716 DZKBYADZBHARCV-GFCCVEGCSA-N 315.439 -0.034 30 20 DBED C=CCN(C(=O)C(=O)N1CC[C@](O)(CC#N)C1)[C@H](C)COC 1118468367 QREIHEVYFLRUNM-IUODEOHRSA-N 309.366 -0.087 30 20 DBED C=C(C)CN(CC)c1nnc(CCN(C)S(N)(=O)=O)n1C 1121327510 SOVBUZLRXQFJDI-UHFFFAOYSA-N 316.431 -0.105 30 20 DBED C#CCNC(=O)CNC1CC2(C1)CC(NC(=O)c1cnn[nH]1)C2 1121354176 PTXGZUXMDMQUPC-UHFFFAOYSA-N 316.365 -0.815 30 20 DBED COCCCNC(=O)CNCCNC(=O)CSCC#N 1123792292 RFRVHQCULZIVAA-UHFFFAOYSA-N 302.400 -0.898 30 20 DBED CN(C[C@@H](O)CNc1ccc(C#N)nn1)C(=O)[C@@H]1CCCO1 1124066216 STRAGLTVYUQSAW-RYUDHWBXSA-N 305.338 -0.242 30 20 DBED CN(C[C@@H](O)CNc1cncc(C#N)n1)C(=O)c1ccncn1 1124466269 LYWPRTZXQCCZFL-NSHDSACASA-N 313.321 -0.317 30 20 DBED CN(C[C@@H](O)CN(C)c1ccc(C#N)nn1)C(=O)[C@@H]1CCCO1 1124940481 SICBZTPAUCICFV-STQMWFEESA-N 319.365 -0.217 30 20 DBED COC[C@@H](C)OC[C@H](O)CNCCNC(=O)c1ccc(C#N)[nH]1 1125776234 KCBIBHPFIGADKP-DGCLKSJQSA-N 324.381 -0.382 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)c1ncccc1O 1126118688 HEHKNCYKFVSIDU-UHFFFAOYSA-N 319.365 -0.131 30 20 DBED C[C@H](NC(N)=O)C(=O)NCCNCc1cc(F)ccc1C#N 1126199552 VKFJBVYNCGLEKF-VIFPVBQESA-N 307.329 -0.040 30 20 DBED N#CCNCc1ccncc1O[C@H]1CCN(C(=O)CC(N)=O)C1 1127883901 WXJXWJJZRPBQHR-LBPRGKRZSA-N 317.349 -0.450 30 20 DBED C=C(C)[C@@H](CC(=O)NCCN[C@@H](C)C(=O)NC(N)=O)OCC 1128539739 IWYBPSHSJMBKDT-WDEREUQCSA-N 314.386 -0.353 30 20 DBED CC[C@@H](NC(C)=O)C(=O)N1C[C@H](n2ccnn2)[C@H](NCC#N)C1 1130020474 IMAVCOVWNHPTHR-UPJWGTAASA-N 319.369 -0.942 30 20 DBED CC#CCN1CCOC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](C)OC)n1 1130832599 YYCDIRZPSGRGAL-VXGBXAGGSA-N 321.381 -0.148 30 20 DBED CC#CCN1CC[C@]2(C1)CN(C(=O)CC(=O)NC)C[C@H](C)O2 1131653062 POKBNPUFYCXZEC-BBRMVZONSA-N 307.394 -0.162 30 20 DBED C[C@@H]1CC[C@@H](NC(=O)c2cnccn2)CN1CC(=O)NCC#N 1131748273 RCLPGVZEGNVSNP-VXGBXAGGSA-N 316.365 -0.301 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)[C@@H]2[C@H]3COC[C@H]32)CC[C@H]1C 1132228983 YXYTZZUVSATWLG-AQRJEWBLSA-N 319.405 -0.403 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCCNC[C@@H](C)CS(C)(=O)=O 1134054352 GPMLYWAUZZARIL-UPJWGTAASA-N 318.439 -0.036 30 20 DBED C#CCNC(=O)CNCCNC(=O)COCc1ccncc1 1135750869 QSSLZTYCNGOCDV-UHFFFAOYSA-N 304.350 -0.947 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)C12CCN(CC1)C2 1135939340 YOUISSGYZYJDOG-UONOGXRCSA-N 320.437 -0.296 30 20 DBED Cc1nccc(C(=O)N[C@H](C)C[C@H](C)NCC(=O)NCC#N)n1 1146383332 HZCPKLJKQKHYLW-WDEREUQCSA-N 318.381 -0.089 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)CN(C)C(C)C 1146591084 FUWNJKVNUSGSAW-UONOGXRCSA-N 310.442 -0.051 30 20 DBED C=CCNC(=O)CN1CCC2(C1)CN(C(=O)CN(C)C(C)=O)C2 1147034004 JWSRZUKVSZYTSH-UHFFFAOYSA-N 322.409 -0.699 30 20 DBED C#Cc1ccc(C(=O)NCCNCCN2C(=O)CCC2=O)cn1 1148389789 UZUKYRFEGVWOJZ-UHFFFAOYSA-N 314.345 -0.469 30 20 DBED C=C(Cl)CN1CCC2(C1)CN(C(=O)CS(=O)(=O)NC)C2 1148784835 YWSOXWIUKWGHGJ-UHFFFAOYSA-N 321.830 -0.178 30 20 DBED C#CCNC(=O)CNCCNC(=O)COCc1cccnc1 1149181695 NZDYUUAPXCGAKH-UHFFFAOYSA-N 304.350 -0.947 30 20 DBED C=CCCOCC(=O)NC[C@H]1CN([C@H](C)C(N)=O)CCCO1 1150803879 VAVTZYVIJBJXFT-OLZOCXBDSA-N 313.398 -0.340 30 20 DBED C=CCNC(=O)CNCCNC(=O)CCCc1nc(CC)no1 1150971180 DBIPYAZFOCAGKE-UHFFFAOYSA-N 323.397 -0.037 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)c1cnn(C)c1C 1151887151 TYVRUDNEDWDEQN-GFCCVEGCSA-N 319.409 -0.082 30 20 DBED C=CCOCC(=O)NCCCNC[C@@H]1CCS(=O)(=O)C1 1155707109 BLSPUAHKNCCUHK-LBPRGKRZSA-N 304.412 -0.280 30 20 DBED C#CCN1CC=C(CCNC(=O)c2cn(C)c(=O)nc2O)CC1 1161869862 OFJOZCHRKBJHDB-UHFFFAOYSA-N 316.361 -0.129 30 20 DBED C#CCNC(=O)CNCC1(CCNC(=O)[C@H]2CCOC2)CC1 1163718805 SWAMJGVHEUCXID-ZDUSSCGKSA-N 307.394 -0.352 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)NCCCN[C@@H]1CCN(C)C1=O 1167678062 QFTDSEJTTIDHEC-ZIAGYGMSSA-N 324.425 -0.216 30 20 DBED C#CCNC(=O)CNCC1(CCNC(=O)CN(C)CCC)CC1 1167814667 BBABZTMDUHQWHQ-UHFFFAOYSA-N 322.453 -0.046 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCCNCC(=O)NC(N)=O 1168101142 ODBSQKCCXNMEFN-JQWIXIFHSA-N 312.370 -0.742 30 20 DBED C#CCNC(=O)CNCCCC[C@@H](C)NC(=O)[C@H](C)CC(N)=O 1174672922 SBCBPBHQTUFFSS-CHWSQXEVSA-N 324.425 -0.488 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@H](NCc2nnn(C)n2)[C@@H]1C 1178678824 SQXWEJMEJWYMDS-TUAOUCFPSA-N 306.370 -0.673 30 20 DBED C[C@H](C(=O)N1CC[C@@H](NCC(=O)NCC#N)C1)n1cccn1 1181098082 RMFSYOYZUXUKKV-VXGBXAGGSA-N 304.354 -0.726 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@@H](NCC(=O)NCC(C)C)C1 1182505442 YOIKZHDHSFMVAM-ZIAGYGMSSA-N 309.410 -0.013 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2cnns2)C1 1189058316 GDYUGNGMJWMTBA-JTQLQIEISA-N 307.379 -0.566 30 20 DBED C=CCOCC(=O)N1CC[C@H](N(C)[C@H]2CCC(=O)NC2=O)C1 1189381515 YFTKCQQEHPIANX-RYUDHWBXSA-N 309.366 -0.473 30 20 DBED CCOC1CC(C(=O)N2CC[C@H](N(C)CC(=O)NCC#N)C2)C1 1189955456 AOPZOOKQMIYXQE-MOKVOYLWSA-N 322.409 -0.026 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2cccc(F)c2)C1 1190740775 BBNWHJKZZXRIRS-ZIAGYGMSSA-N 319.336 -0.650 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H](N(C)C[C@@H](O)COC)C2)nn1 1192724278 RMLVWLHFZALKKF-QWHCGFSZSA-N 323.397 -0.382 30 20 DBED C#CCCN(C)[C@H]1CCN(C(=O)[C@@H]2CCN(C)S2(=O)=O)C1 1192794638 MTPBZDDCFZRQQK-STQMWFEESA-N 313.423 -0.424 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2ncc(C)cn2)C[C@H]1O 1192890676 AWXIFURPHJYSES-BFHYXJOUSA-N 318.377 -0.515 30 20 DBED C=CCO[C@H](C)C(=O)N1CC[C@H](N(C)Cc2nnnn2C)C1 1194397301 SKJSPWZLFQKMFT-NEPJUHHUSA-N 308.386 -0.166 30 20 DBED CC#CCCCC(=O)N[C@@H]1CN([C@@H](C)C(=O)N(C)C)C[C@H]1O 1195472857 HBYNGGGDIWPZFN-BFHYXJOUSA-N 309.410 -0.182 30 20 DBED C=C(C)CN1CCCN(C(=O)CNS(=O)(=O)N(C)C)CC1 1197283378 LLMACYRPHXVWOM-UHFFFAOYSA-N 318.443 -0.507 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(Cc2cnn(C)n2)C[C@H]1O 1199292818 SBJQQNPEPXKWGK-CHWSQXEVSA-N 309.370 -0.931 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(CCC[C@@H](C)O)C[C@H]1O 1199308457 VTCNYUZPHOPBIE-MGPQQGTHSA-N 300.399 -0.099 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)C(C)(C)CS(C)(=O)=O)C1 1199317955 HBZYAHWRXBXPDK-GHMZBOCLSA-N 304.412 -0.596 30 20 DBED C#CCNC[C@H]1CN(C(=O)c2cccc(C(N)=O)n2)CCCO1 1202183013 JRPHKVBADYJOOS-LBPRGKRZSA-N 316.361 -0.366 30 20 DBED C#CCN[C@@H]1C[C@H](NC(=O)CCNC(=O)COC)C12CCC2 1202997203 WNWMTDCOVYHACB-OLZOCXBDSA-N 307.394 -0.211 30 20 DBED C=CCOCC(=O)N1C[C@H]2CC[C@H]1[C@H](NCC(=O)NC(N)=O)C2 1204095603 MOYYXKNBJMKKFC-TUAOUCFPSA-N 324.381 -0.647 30 20 DBED N#CCNCC1CCN(C(=O)CCCS(N)(=O)=O)CC1 1206100760 OPNSXVFFRDWYPR-UHFFFAOYSA-N 302.400 -0.593 30 20 DBED CCCCOCC(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1206732561 CYBSLTLMXWXHBR-CHWSQXEVSA-N 310.398 -0.121 30 20 DBED CC#CCN1C[C@@H](NC(=O)CCCS(N)(=O)=O)[C@H](C)C1 1208464459 AAAHOHWPNQHPBR-VXGBXAGGSA-N 301.412 -0.485 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(Cc2cnn(C)c2)C[C@H]1OC 1212029951 NLRBQJPZZVKZFH-ZIAGYGMSSA-N 308.382 -0.062 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(C[C@H](F)CC)C[C@H]1OC 1212149854 JAOXZRLNMVDKJU-JHJVBQTASA-N 313.373 -0.311 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)C2(CF)CC2)[C@H](OC)C1 1213425593 HTOOAIDITOXZMT-VXGBXAGGSA-N 313.373 -0.146 30 20 DBED C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1NCc1nnn(C)n1 1214167981 VPRVHMRRMAZNPJ-NXEZZACHSA-N 309.399 -0.597 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@@H](NCC(=O)NCC#N)[C@H](C)C1 1214602642 VTRPUZRYBNBNOX-FRRDWIJNSA-N 306.366 -0.899 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)c2ccccc2O)C1 1219194553 UKGRZPKDGZWHPP-HIFRSBDPSA-N 304.346 -0.183 30 20 DBED N#Cc1ccc(CN2C[C@H](O)[C@H](NC(=O)CC(N)=O)C2)c(F)c1 1219403257 XAWJUJRCXPNNOT-OLZOCXBDSA-N 320.324 -0.766 30 20 DBED CCn1cnc(C(=O)N[C@@H]2CN(CC#CCOC)C[C@@H]2O)c1 1220771312 NLISIKVXMIPXLN-OCCSQVGLSA-N 306.366 -0.672 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)CCNC(=O)c2ccco2)C1 1220923010 XXRQXLKJANTQLF-OLZOCXBDSA-N 319.361 -0.416 30 20 DBED C=C(C)CN1CCC(CNC(=O)Cn2ncn(C)c2=O)CC1 1223687493 PZJXFGLADVNGFC-UHFFFAOYSA-N 307.398 -0.014 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCCC[C@H]1N[C@H](C)C(=O)NC 1225789117 OGNBUPIVIPXFGT-JHJVBQTASA-N 322.409 -0.723 30 20 DBED C#CCNC(=O)CC(=O)NC1CCN([C@@H](C)C(=O)N(C)C)CC1 1226961520 GLAICJBBWBJLQF-LBPRGKRZSA-N 322.409 -0.817 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)[C@@H]2CCC(=O)NC2)CC1 1228123329 LHFMAXYXAUAUMJ-GFCCVEGCSA-N 322.409 -0.605 30 20 DBED CN(C[C@H]1CCN1CC(=O)NCC#N)C(=O)Cc1cncnc1 1234019885 GGAMZXLMSNIZIV-CYBMUJFWSA-N 316.365 -0.808 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)CCCNC(=O)Cn1cc(C)cn1 1234642332 YMJPGPOOQPLNGR-CQSZACIVSA-N 319.409 -0.232 30 20 DBED CC#CCN1CC[C@H]1CN(C)C(=O)CN1CCCS1(=O)=O 1235089403 JCODHBJFONAPAT-ZDUSSCGKSA-N 313.423 -0.422 30 20 DBED C#CCN(C)C(=O)C(=O)N1CCN(C(=O)c2cccn2C)CC1 1261629341 BZNAKHKAGWXKAL-UHFFFAOYSA-N 316.361 -0.599 30 20 DBED C=C[C@](C)(O)C(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CCNCC1 1263129318 INPAADONMCILMT-IOASZLSFSA-N 322.409 -0.330 30 20 DBED COC(=O)NC(C)(C)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1318404528 UPYKVCCPHNMKMC-ZHACJKMWSA-N 324.337 -0.236 30 20 DBED COC[C@@](C)(C#N)NC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 1319894445 PDKIGZMVYRWOJT-CQSZACIVSA-N 302.290 -0.125 30 20 DBED C=CC[C@@H](CO)CNC(=O)C(=O)Nc1cccc(C(N)=O)n1 1320056026 XEDWFOWVXBHGML-SECBINFHSA-N 306.322 -0.580 30 20 DBED CN1CCN(C(=O)C(=O)N2CCC[C@](C)(C#N)C2)[C@@H](CN)C1 1325756260 SHHNPXRMFWJOOZ-SWLSCSKDSA-N 307.398 -0.760 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)NCCCCS(C)(=O)=O 1326614862 NVSRAWAMRGZSCP-JTQLQIEISA-N 311.429 -0.120 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N[C@H]1CCOC[C@H]1OCC 1326818747 XSKMZIASBBWESE-UONOGXRCSA-N 306.362 -0.218 30 20 DBED C#CCNC(=O)C1CCN(c2nnnn2[C@H](C)COC)CC1 1332507251 ZKWZFBGMRTYHAT-LLVKDONJSA-N 306.370 -0.154 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)C(=O)NCCCC(=O)NC2CC2)C1 1345845043 IQXMXCYULHZBGK-OAHLLOKOSA-N 322.365 -0.962 30 20 DBED C=CCn1c(C(N)=O)nnc1N1CC[C@@H](CN2CCOCC2)C1 1351616694 SIRKLXZOUUCDRY-LBPRGKRZSA-N 320.397 -0.279 30 20 DBED N#Cc1cn(CC(=O)NCC[C@@H]2CCCCO2)c(=O)nc1O 1362686927 XCVRJRFIHSNMLU-NSHDSACASA-N 306.322 -0.104 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(N(CCO)Cc2cnnn2C)CC1 1368907930 UEUYVMJCRVORTG-LBPRGKRZSA-N 320.397 -0.240 30 20 DBED CC(=O)N(C)CC(=O)N(C)[C@@H](CNC(=O)[C@H](C)C#N)C1CC1 1383586235 FXFPGEGWBSYZRO-MFKMUULPSA-N 308.382 -0.022 30 20 DBED CC(C)CS(=O)(=O)CC(=O)N[C@@H](C)CNC(=O)[C@@H](C)C#N 1387084657 HTWKPBCDFKNABE-QWRGUYRKSA-N 317.411 -0.162 30 20 DBED C[C@@H](C#N)C(=O)NCC1CN(C(=O)C2CCN(C(N)=O)CC2)C1 1387930210 RXAPCTVGADGIIX-JTQLQIEISA-N 321.381 -0.489 30 20 DBED CCNC(=O)NC(=O)[C@@H](C)N[C@H]1C[C@@H](CNC(=O)[C@@H](C)C#N)C1 1388669055 BEQFZFNBHVCYDC-WHOHXGKFSA-N 323.397 -0.135 30 20 DBED CC(=O)N1CC(C(=O)N2CC[C@@H](CNC(=O)[C@@H](C)C#N)C2)C1 1397651963 GUGFOKPMWKWGAQ-JQWIXIFHSA-N 306.366 -0.411 30 20 DBED CCCNC(=O)[C@H](C)NC[C@H](O)CNC(=O)c1cc(C#N)c[nH]1 1401498505 CVHDULSMMWMBIK-JQWIXIFHSA-N 321.381 -0.519 30 20 DBED CCN(C)C(=O)CNC[C@@H](O)CNC(=O)c1cc(C#N)c[nH]1 1422287788 ODELFTKOFMJUER-LLVKDONJSA-N 307.354 -0.955 30 20 DBED C[C@@H](CNC(=O)COCc1nncn1C)NC(=O)[C@@H](C)C#N 1428799885 VLFSKLMEWYOIPY-UWVGGRQHSA-N 308.342 -0.888 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1C[C@@H](NC(=O)[C@H]2CCC(=O)NC2)C1 1445965489 ZWQJUXIHDZOVOX-FIQHERPVSA-N 306.366 -0.317 30 20 DBED C[C@@H](C#N)C(=O)NC1CN(C(=O)c2ccc(C(N)=O)nc2)C1 1450483463 URTKKSJIUNKZFV-QMMMGPOBSA-N 301.306 -0.719 30 20 DBED COCCN(CCNC(=O)[C@H](C)C#N)C(=O)c1[nH]c(O)nc1C 1452152513 SGUQFOBQHGQTER-SECBINFHSA-N 323.353 -0.212 30 20 DBED C[C@H](Nc1[nH]c(=O)n(C)c(=O)c1C#N)[C@@H](C)N1CCOCC1 1458163387 DRYDYANKNFWLLJ-VHSXEESVSA-N 307.354 -0.534 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)CCc1ccccn1 1533289517 LCVBHHXUELCGQL-YPMHNXCESA-N 304.350 -0.233 30 20 DBED C=C(C)C[C@H](NC(=O)c1nc(C)n(-c2nc[nH]n2)n1)C(=O)O 1573324363 QEVCXRCDRKYITA-QMMMGPOBSA-N 305.298 -0.157 30 20 DBED C#CCN(C(=O)NCC[C@H]1CNCCS1(=O)=O)C(C)C 1574591117 ZBKQYUSQVSPIJL-LBPRGKRZSA-N 301.412 -0.184 30 20 DBED C#CCN(CC(=O)O)C(=O)c1sccc1S(N)(=O)=O 1588418829 UPSZVTJIQIRCHK-UHFFFAOYSA-N 302.333 -0.445 30 20 DBED C#CCN(CC1CC1)C(=O)C(=O)Nc1ccn(CC(=O)O)n1 1588432401 QIPZFJBYRYWBHT-UHFFFAOYSA-N 304.306 -0.222 30 20 DBED C[C@@H](C#N)C(=O)NCCCN(C)c1ccnc(-c2nn[nH]n2)n1 1588929038 FMLGSZKATCIXFI-VIFPVBQESA-N 315.341 -0.241 30 20 DBED COCCNC(=O)[C@@H](C#N)C(=O)c1ccnc(-c2nn[nH]n2)c1 1591432695 UTAGMFPRHGVGIY-VIFPVBQESA-N 315.293 -0.653 30 20 DBED N#CC[C@H]1CCCN(C(=O)C(=O)N2CCO[C@H](C(=O)O)C2)C1 1594606211 QNERMJJTRVRUMA-MNOVXSKESA-N 309.322 -0.549 30 20 DBED N#CCCN1CCN(S(=O)(=O)c2cncc(C(=O)O)c2)CC1 1601068073 FNQMSKWUAZJLLX-UHFFFAOYSA-N 324.362 0.000 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC(n2cc(C(=O)O)nn2)C1 1602755443 UGGPIHSZGPLPTD-LLVKDONJSA-N 321.337 -0.170 30 20 DBED C=CCCC[C@@H](NC(=O)CN1CCCS1(=O)=O)C(=O)O 1602865061 CQAVUYFTGSDIQC-SNVBAGLBSA-N 304.368 -0.052 30 20 DBED CC(C)N(CCC(=O)O)S(=O)(=O)N1CCO[C@@H](C#N)C1 1603880008 XSCUIJCFAFDXPM-JTQLQIEISA-N 305.356 -0.359 30 20 DBED N#Cc1ccc(NCCNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)nn1 1606377531 JSIUKBKKILIEQK-UHFFFAOYSA-N 324.308 -0.302 30 20 DBED COC(=O)CN(CC(=O)O)Cn1cc2c(c(C#N)c1=O)CCC2 1606468478 FWXJXCXAEAHRKH-UHFFFAOYSA-N 319.317 -0.274 30 20 DBED Cn1c(=O)[nH]c(N[C@@H](CC2CCOCC2)C(=O)O)c(C#N)c1=O 1608076055 OKGAMSKZJUBCTP-JTQLQIEISA-N 322.321 -0.373 30 20 DBED CNC(=O)NC(=O)[C@H](C)N1CC[C@H](NC(=O)C#CC(C)C)C1 1692397097 MSYKRDXMYZROTL-RYUDHWBXSA-N 308.382 -0.320 30 20 DBED CCN1CCO[C@H](C(=O)NC[C@@H](NCC#CCOC)C2CC2)C1 1752498864 FTVQTXLLSLAORL-CVEARBPZSA-N 323.437 -0.159 30 20 DBED CC#CCN1CCC[C@@H]1CCCNC(=O)CN1C(=O)CNC1=O 1753037214 DFEMOKPSPDBIRE-ZDUSSCGKSA-N 320.393 -0.078 30 20 DBED COCC#CCN1CC(NC(=O)[C@H]2CCc3nnnn3CC2)C1 1753387676 SNTGIXGRRNWGCZ-LBPRGKRZSA-N 318.381 -0.924 30 20 DBED N#CCNC(=O)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCOCC1 1753420268 QVEVTUNTCVCNBY-RDBSUJKOSA-N 320.393 -0.272 30 20 DBED C=CCNC(=O)[C@H](C)NC[C@@H](C)CNC(=O)C1=COCCO1 1753611974 CZFMOFZCTHGJJT-NEPJUHHUSA-N 311.382 -0.093 30 20 DBED C#CCNC(=O)CN[C@@H](CNC(=O)c1cc(C)ncn1)C(C)C 1753827945 ZOBAAJDPZLBKKS-AWEZNQCLSA-N 317.393 -0.122 30 20 DBED C#CCNC[C@H]1CCC[C@@H]1NC(=O)CN1CCCS1(=O)=O 1753886418 ANAYSNFRBRRJLO-OLZOCXBDSA-N 313.423 -0.470 30 20 DBED C=CCNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)c1cccc(C)n1 1753904725 ACYAJHUGAUGDED-CHWSQXEVSA-N 320.393 -0.239 30 20 DBED COCC#CCNC[C@@H](O)CNC(=O)c1cnc2ccccn12 1753917969 QSQCXULBOYQCES-CYBMUJFWSA-N 316.361 -0.336 30 20 DBED C#CCOCCC(=O)N1CC[C@](C)(CNCC(=O)NCC#N)C1 1754695892 TUUCWHBIIGVOHX-MRXNPFEDSA-N 320.393 -0.506 30 20 DBED COCC#CCNCCN(CCO)C(=O)Cc1cncn1C 1754896906 WCFWFUSKCOYWBS-UHFFFAOYSA-N 308.382 -0.977 30 20 DBED C#CCCCC(=O)NC[C@H]1COCCN1Cc1cnn(C)n1 1754966645 XUJMOJCDUQPMJP-AWEZNQCLSA-N 305.382 -0.064 30 20 DBED C=CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)C2CC2)C[C@@H]1C 1755106430 ULCWQMSKJXCIIM-CMPLNLGQSA-N 308.382 -0.155 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)c2cc(OC)no2)C[C@@H]1C 1755106927 FAEWYZUBOKQFCD-WDEREUQCSA-N 320.349 -0.517 30 20 DBED C=C(C)CCC(=O)N1CCC(O)(CNCC(=O)NCC#N)CC1 1755154306 KMRDBAINAVUHMQ-UHFFFAOYSA-N 322.409 -0.074 30 20 DBED CCCN1CCC[C@@H]1C(=O)NC[C@H](C)N(C)CC(=O)NCC#N 1755301391 KXCIEQXXBHZCPW-UONOGXRCSA-N 323.441 -0.063 30 20 DBED CCOCCNC(=O)CN1CC([C@H](C)NC(=O)C#CC2CC2)C1 1755372305 ATCOEZHUJCSXPP-ZDUSSCGKSA-N 321.421 -0.011 30 20 DBED C=CCCC(=O)N1CCO[C@@H]([C@@H](C)NCc2nnnn2C)C1 1755438185 GZPLSRGVVCNYBV-VXGBXAGGSA-N 308.386 -0.118 30 20 DBED CN(CC1CC1)C(=O)CN[C@@H](CO)CNC(=O)C#CC1CC1 1755626968 AIUXZZSHDGWZRX-CQSZACIVSA-N 307.394 -0.665 30 20 DBED C#CCN(CCNC(=O)[C@H]1CCc2nnn(C)c2C1)CCOC 1755840863 NQAAYRBEVCRHQN-ZDUSSCGKSA-N 319.409 -0.382 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@H](CO)NC(=O)c1cc(CC)[nH]n1 1756515909 RIDUZOZKGUAADN-IAQYHMDHSA-N 324.381 -0.494 30 20 DBED C=CCCOCC(=O)N1C[C@@H](NC(=O)C2(C(N)=O)CC2)C[C@H]1C 1756593049 PTSOCUYBRSCYPB-NEPJUHHUSA-N 323.393 -0.050 30 20 DBED C=C[C@@](C)(O)CC(=O)N(C)C[C@H](O)CNC(=O)C1(CF)CC1 1756661376 YAGVWPUGXJDFOQ-BXUZGUMPSA-N 316.373 -0.001 30 20 DBED CC(=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)S)[C@H]2C1 1791260286 PWXDUEHHVBVNAC-BJDJZHNGSA-N 314.407 -0.127 30 20 DBED CN(C)C(=O)NCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CC#N)C2 1792698998 VAIUIKFWQLMRPW-ZSBIGDGJSA-N 321.381 -0.191 30 20 DBED Cc1nc(C(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)co1 1842457091 NTAQFSAAWJOROI-UHFFFAOYSA-N 317.301 -0.112 30 20 DBED N#CC1(C(=O)N2CCCC23CN(C(=O)COCCO)C3)CC1 1842808772 XQLKWAJKUOBIJS-UHFFFAOYSA-N 307.350 -0.498 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)CN1CCCCCC1=O 11384452 KHVINGRVVYGRBR-UHFFFAOYSA-N 311.338 -0.056 30 20 DBED CCCN(CC#N)C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 56484580 KHOKAXKGWFUDIY-UHFFFAOYSA-N 318.337 -0.804 30 20 DBED C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCN(C(=O)CO)CC1 89423187 LJSZUAUKHKKVGH-CYBMUJFWSA-N 322.409 -0.146 30 20 DBED N/C(=N/CCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)N1CCOCC1 151283533 UPEZZDSSVAZKQH-ZDEQEGDKSA-N 318.377 -0.560 30 20 DBED CN1CCC[C@H](CN(C)c2c(C#N)c(=O)n(C)c(=O)n2C)C1 265186408 GDLPNIVJIAUNAI-NSHDSACASA-N 305.382 -0.266 30 20 DBED C#CCOc1cc(F)ccc1NC(=O)C(=O)N(C)CC(=O)NC 266489309 AOCDFGQBWADYKJ-UHFFFAOYSA-N 321.308 -0.019 30 20 DBED CCNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)nc2)CC1 269336114 JKBWUTKSGJDKNA-UHFFFAOYSA-N 323.378 -0.011 30 20 DBED C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCNC(=O)C1 272632147 YYJJQQUOLVKDRY-SNVBAGLBSA-N 316.317 -0.126 30 20 DBED C[C@@H](C/N=C(/O)CN1CCN(C)C(=O)C1)N1CCN(C)CC1 329542760 DZQIKKPFDUYOOP-ZDUSSCGKSA-N 311.430 -0.647 30 20 DBED CN(C)/C(O)=N/CCNS(=O)(=O)c1cnn2c1OCCC2 330919163 YDGYVIYXIYQAJA-UHFFFAOYSA-N 317.371 -0.581 30 20 DBED CC[C@@]1(C)COCCN1S(=O)(=O)N1CCO[C@H](C#N)C1 336943427 LITXJELNGGDOEO-NEPJUHHUSA-N 303.384 -0.044 30 20 DBED CCOC[C@H]1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)C1 337063704 IXJQPYDVZQZUMR-NWDGAFQWSA-N 303.384 -0.186 30 20 DBED COCCN(CC(=O)OC)S(=O)(=O)N(C)C[C@H](C)C#N 337101428 WEPXSQLPKFMTPV-SNVBAGLBSA-N 307.372 -0.556 30 20 DBED COCCCNC(=O)[C@H](C)N1CCN(C(=O)[C@H](C)C#N)CC1 347103760 AMUONCDISRHFAG-OLZOCXBDSA-N 310.398 -0.169 30 20 DBED C=CCNC(=O)NC(=O)Cn1ncc(C(=O)OCC)c1C#N 352369107 MYYVPIXPNIZDCB-UHFFFAOYSA-N 305.294 -0.057 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)N[C@]2(CO)CCOC2)cc1 353829181 SPEIUZUNEHJYSH-HNNXBMFYSA-N 303.318 -0.444 30 20 DBED N#Cc1ccc(S(=O)(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)cc1 354079816 LQUOOXKMJHRLQN-NSHDSACASA-N 320.330 -0.517 30 20 DBED C=C[C@@H](CO)NC(=O)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C 354714482 RXROVJWVBDWPGX-VIFPVBQESA-N 318.333 -0.521 30 20 DBED CNC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1C#N 360146161 ABWQSAZTKIEADH-VIFPVBQESA-N 317.754 -0.403 30 20 DBED Cn1c(N2CCC(CCCO)CC2)c(C#N)c(=O)n(C)c1=O 360169329 DILORUDLNIRKBV-UHFFFAOYSA-N 306.366 -0.055 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CO[C@@H](C)C2)CC1 490713787 MFOWRSDUTLIVHL-UONOGXRCSA-N 307.394 -0.305 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)C[C@H](C)COC)CC1 490800049 MOTBBSICXHFHQO-AWEZNQCLSA-N 309.410 -0.057 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@@H](C)OCC(C)C)CC1 491128037 YVFOYXBRPLEQNV-CQSZACIVSA-N 309.410 -0.059 30 20 DBED CCN(CCC#N)C(=O)CN1C(=O)N[C@]2(CCCNC2)C1=O 517366555 HOVYXYLTNKKTBP-AWEZNQCLSA-N 307.354 -0.577 30 20 DBED N#CCC1(CS(=O)(=O)N2CC[S@](=O)C[C@H]2C(=O)O)CC1 578327174 SQSHYDVOGZZAKB-UGZDLDLSSA-N 320.392 -0.472 30 20 DBED N#CCNC(=O)CNC(=O)N[C@H]1CC[C@](O)(C(F)(F)F)C1 589931166 WLTQYQRBRJNOHV-OIBJUYFYSA-N 308.260 -0.229 30 20 DBED N#CCc1cccc(S(=O)(=O)N[C@]2(C(N)=O)CCOC2)c1 594493572 QLNHLUSCFWBUFI-CYBMUJFWSA-N 309.347 -0.325 30 20 DBED C[C@H]1CN(CCNS(=O)(=O)N(C)CCC#N)[C@@H](C)CO1 594817101 NNGNTCWVMZEBPG-RYUDHWBXSA-N 304.416 -0.225 30 20 DBED N#Cc1ccc(CCNC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)cc1 597888933 ATXRGZBRJNQNAN-RBSFLKMASA-N 302.330 -0.370 30 20 DBED CNS(=O)(=O)NC1CCN(C[C@H](O)CC(C)(C)C#N)CC1 598610543 HMAGZEYZENBQLB-GFCCVEGCSA-N 318.443 -0.195 30 20 DBED C[C@@H](N)[C@@H]1CCN(C(=O)C(=O)N2CCN(CCC#N)CC2)C1 601580169 BGIGCIIRJYECTA-CHWSQXEVSA-N 307.398 -0.760 30 20 DBED N#CC1(C(=O)N2CC(S(=O)(=O)N3CCNCC3)C2)CCC1 602510601 KBQYXIYSAGOUGC-UHFFFAOYSA-N 312.395 -0.874 30 20 DBED COCCN(CCC#N)C(=O)C(=O)Nc1cc(OC)ncn1 615256644 RYWAIOZSHNLHSC-UHFFFAOYSA-N 307.310 -0.188 30 20 DBED N#C[C@H]1CN(S(=O)(=O)NCC(=O)N2CCCCC2)CCO1 619707401 NYTCZGKVNKXSGH-NSHDSACASA-N 316.383 -0.942 30 20 DBED C=C[C@H](CO)NCC(=O)Nc1ccc(C)c(S(N)(=O)=O)c1 662165731 NISYVZSXDOUFRP-SNVBAGLBSA-N 313.379 -0.283 30 20 DBED C=CCN1CCC(NC(=O)C(=O)N(C)C[C@H](O)C2CC2)CC1 672355956 LNLCKOIBCXGQKH-AWEZNQCLSA-N 309.410 -0.018 30 20 DBED C=CCOCC(=O)OCCN(C)S(=O)(=O)N1CCOCC1 731291295 AYBMGENIFIBJHE-UHFFFAOYSA-N 322.383 -0.759 30 20 DBED C#CC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 753940972 ZSOMEOVUMQSGRW-UHFFFAOYSA-N 322.390 -0.717 30 20 DBED C=CCS(=O)(=O)NC(=O)[C@@H]1CCCCN1S(C)(=O)=O 772720772 SAQZLICXUIJDRY-VIFPVBQESA-N 310.397 -0.568 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C1(C(=O)NC2CC2)CC1 783616633 NGLDBORYUCBROL-UHFFFAOYSA-N 300.380 -0.238 30 20 DBED C[C@@H]1OC(=O)N[C@H]1C(=O)OCC(=O)N(CCC#N)CCC#N 786075686 ZQLPKGSSGNLVKY-GXSJLCMTSA-N 308.294 -0.318 30 20 DBED C#CCCOC(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1 786198385 QUZIUFSRIWSWCF-UHFFFAOYSA-N 300.292 -0.777 30 20 DBED C#C[C@@H](NC(=O)C(=O)NCC(C)(C)C(=O)NCC)[C@H]1CCCO1 808793587 LWLNGCSYEAXGPE-VXGBXAGGSA-N 323.393 -0.438 30 20 DBED CC(C)S(=O)(=O)NN=Cc1ccc(S(N)(=O)=O)cc1 811639794 GZDFLPCXHPNLPV-UHFFFAOYSA-N 305.381 -0.004 30 20 DBED C[C@@H](OC(=O)CCn1ncn(C)c1=O)C(=O)N(C)CCC#N 815270199 DUPXPNJRZVZCLM-SNVBAGLBSA-N 309.326 -0.724 30 20 DBED CN(Cc1cnn(C)c1)C(=O)COC(=O)[C@](C)(C#N)CC(=O)O 820607421 ATPYWKJTVMXYRS-AWEZNQCLSA-N 322.321 -0.074 30 20 DBED CNS(=O)(=O)C1CCN(C(=O)[C@](C)(C#N)CC(=O)O)CC1 820641176 MNKSZHPUCHTHJZ-LBPRGKRZSA-N 317.367 -0.469 30 20 DBED C#CCN1CCN(C(=O)CNC2(CC(=O)O)CCOCC2)CC1 825619327 KNHRSSPESGISTR-UHFFFAOYSA-N 323.393 -0.623 30 20 DBED CC(C)CS(=O)(=O)CCC(=O)N[C@H]1CCCN(O)C1=O 848139397 VIKFTIMIHFZWNB-JTQLQIEISA-N 306.384 -0.056 30 20 DBED C/N=C(/NCCN1CCOCC1)NC[C@@H](CO)Cc1ccco1 849055242 LYSHCJIMDQZZJM-AWEZNQCLSA-N 324.425 -0.072 30 20 DBED C#CC[C@@H](CCOC)NC(=O)N1CC[C@H](S(N)(=O)=O)C1 859018920 GDMSSROLTDRFJU-QWRGUYRKSA-N 303.384 -0.513 30 20 DBED C#CCN1CCN(C(=O)CN2C[C@H]3CN(C(C)=O)C[C@H]3C2)CC1 880309973 NANWJRLXBKGARK-IYBDPMFKSA-N 318.421 -0.826 30 20 DBED C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H]2CO)c1 889131075 WXRPVZRZVLMLAN-LBPRGKRZSA-N 308.359 -0.195 30 20 DBED CN(C)CC#CCNC(=O)C(F)(F)C(=O)N1CCOCC1 905152047 TWBQVPSRCKMTRA-UHFFFAOYSA-N 303.309 -0.838 30 20 DBED CCN1CCOC[C@H]1C(=O)N[C@H]1CCN(C(=O)C#CC2CC2)C1 938205892 PJMMQBAPZKIKCQ-GJZGRUSLSA-N 319.405 -0.162 30 20 DBED O=C1C[C@@H](CC(=O)N[C@H]2CCN(C(=O)C#CC3CC3)C2)C(=O)N1 938250074 BHSIRKXASZTQSK-NEPJUHHUSA-N 317.345 -0.830 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)C[C@H]1C 948071329 XACIHUAUPDEDRN-NEPJUHHUSA-N 320.397 -0.078 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCN(Cc2cnnn2C)CC1 948832193 YAEGNWUJTAHLLF-HNNXBMFYSA-N 316.409 -0.443 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]1CNC(=O)C1CCN(C(N)=O)CC1 949889897 QPFJQAQNDBIZNO-JQWIXIFHSA-N 321.381 -0.346 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2CCN2C(=O)[C@H]2CCOC2)nn1 950052865 NMLCWFYMRHYVIY-RYUDHWBXSA-N 319.365 -0.169 30 20 DBED C[C@@H](C#N)C(=O)N1CC(N(C)C(=O)Cn2cc(C3CC3)nn2)C1 954508089 AUTWEEFGCHPWTE-JTQLQIEISA-N 316.365 -0.016 30 20 DBED C=CCN1C[C@H](O)[C@H](CNC(=O)c2cnc3n2CCOC3)C1 958151016 CWWYZJPMWUQJPU-YPMHNXCESA-N 306.366 -0.378 30 20 DBED CNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)c3c[nH]c(C#N)c3)[C@@H]2C1 958619021 YQRIJDGJEXIVIZ-XXILOJSOSA-N 301.350 -0.319 30 20 DBED C#CCN1CCC(C(=O)NC[C@H]2CN(CC#C)C[C@H]2O)CC1 958724374 OFGSIDDPURMXOR-JKSUJKDBSA-N 303.406 -0.626 30 20 DBED CC#CCN1C[C@H](O)[C@H](CNC(=O)c2cc(C(N)=O)cs2)C1 958729477 WGGKALONEBOZNJ-NEPJUHHUSA-N 321.402 -0.107 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CC3(F)F)C[C@@H]2O)c1 962123121 RWWBRKAPSMEOQZ-GDPRMGEGSA-N 324.287 -0.157 30 20 DBED C=C(C)C(C)(C)C(=O)N1CCOC2(CN(C(=O)CC(N)=O)C2)C1 965434090 WGHXICCYACNZAN-UHFFFAOYSA-N 323.393 -0.096 30 20 DBED C[C@H](C#N)C(=O)N1CC2(C[C@H](NC(=O)C3=CCOCC3)CO2)C1 965677992 XUEHGIBZDTXTMW-YPMHNXCESA-N 319.361 -0.021 30 20 DBED C=CCCN1CC[C@@H](C)[C@@H](NC(=O)Cn2ncn(C)c2=O)C1 967028543 DUJHRJUPZKJOSY-OLZOCXBDSA-N 307.398 -0.016 30 20 DBED C#CCCN1CC([C@H](C)NC(=O)[C@H]2CCN(C)S2(=O)=O)C1 970570638 VTQFYKUZWXOLML-WCQYABFASA-N 313.423 -0.520 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CCOC2)C1 973932792 AUGKLTSIJFHGSG-XQLPTFJDSA-N 319.405 -0.116 30 20 DBED C#Cc1cncc(C(=O)N(C)C[C@@H]2CCN2C(=O)C(N)=O)c1 978358488 CWPBFSBXHCBDMD-LBPRGKRZSA-N 300.318 -0.779 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2[C@@H]3CN([C@H](C)C(N)=O)C[C@H]23)nn1 978822156 WIGLCDVDPNTTOG-KKOKHZNYSA-N 318.381 -0.755 30 20 DBED C#CCN1C[C@H]2[C@H](CNC(=O)[C@@H]3CCCS(=O)(=O)C3)[C@H]2C1 978830497 VCNHTZKBOPNLLX-SYQHCUMBSA-N 310.419 -0.262 30 20 DBED C#CCN(C)[C@H]1CCN(C(=O)C[C@@]2(C)CCS(=O)(=O)N2)C1 980262114 DMBSDFOPIZRXLX-GXTWGEPZSA-N 313.423 -0.376 30 20 DBED CN1CCN(CC(=O)N[C@H]2CCC[C@H](NCC#N)C2)CC1=O 981182644 SNRMXXVYVCNTNZ-STQMWFEESA-N 307.398 -0.699 30 20 DBED N#Cc1c[nH]c(C(=O)NC2CN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C2)c1 990723295 PVYDLHNEMIKBCN-PJXYFTJBSA-N 300.318 -0.281 30 20 DBED CC(=O)N1C[C@H](n2ccnn2)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 990840838 GRPFRUDJAMATFU-OLZOCXBDSA-N 313.321 -0.320 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NC1CN(C(=O)c2nc[nH]n2)C1 992066981 LRZCZHKNLBWWDZ-MNOVXSKESA-N 305.338 -0.274 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NC1CN(C(=O)C(C)(C)C(N)=O)C1 992071277 MHRDCXVRCBRLPT-NEPJUHHUSA-N 323.393 -0.194 30 20 DBED CCC(=O)N1CCN(C(=O)[C@@H](C)C#N)[C@H]2CS(=O)(=O)C[C@H]21 995417985 BWUGVGNWVORLEB-AXFHLTTASA-N 313.379 -0.608 30 20 DBED C=CCn1cc(C(=O)NCC2CN(C(=O)[C@@H](C)C#N)C2)nn1 1001959718 CVGZGSFLXXCSFU-JTQLQIEISA-N 302.338 -0.188 30 20 DBED Cn1[nH]c(CN2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)nc1=O 1010672349 VUOATILXOCLMBG-JTQLQIEISA-N 315.337 -0.688 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C(=O)[C@H](C)S(C)(=O)=O)CC1 1011412707 VGLOTAJGFDZWQJ-UWVGGRQHSA-N 301.368 -0.750 30 20 DBED C[C@@H]1[C@H](NC(=O)Cn2ncnn2)CCN1C(=O)C#CC1CC1 1011746397 MLDMFJMUZQYZHT-ZYHUDNBSSA-N 302.338 -0.808 30 20 DBED CN1C(=O)CN(CC(=O)N[C@@H]2CC23CCN(CC#N)CC3)C1=O 1016926130 LHDRQSCORRADNW-LLVKDONJSA-N 319.365 -0.625 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCN(C(=O)[C@H]3CCNC3=O)C2)C1 1019365242 WXKDCUBXJQMTGH-MNOVXSKESA-N 304.350 -0.657 30 20 DBED Cn1cc(C(=O)NC[C@@H]2CCCCN2CC#N)c(O)nc1=O 1024795728 QUAVSQMPCNJTKN-JTQLQIEISA-N 305.338 -0.406 30 20 DBED C#CCNC1CCC(NC(=O)c2nccnc2C(N)=O)CC1 1026602891 JKJYEBCJFHKUEW-UHFFFAOYSA-N 301.350 -0.161 30 20 DBED C#CCN1CCC(C(=O)NC[C@H]2CCN(CC(=O)NC)C2)CC1 1029001881 FEPBSAQGQNYPTO-CQSZACIVSA-N 320.437 -0.484 30 20 DBED C=C(C)CN1CC(CNC(=O)[C@@H]2CCN(C)S2(=O)=O)C1 1032045153 OYSYACKADPZDAZ-LBPRGKRZSA-N 301.412 -0.356 30 20 DBED C=C(Cl)CN1CC[C@@H](N(C)C(=O)CN2CCNC(=O)C2)C1 1033327011 FXNJFYBMSABTGL-GFCCVEGCSA-N 314.817 -0.297 30 20 DBED CC#CCN1CC[C@@H](N(C)C(=O)c2cn(C)c(=O)nc2O)C1 1033660852 PYBSXDNPXZVYNF-LLVKDONJSA-N 304.350 -0.345 30 20 DBED N#CCN1CCCC[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)C1 1034485508 GMNLMKWBCIVDFY-JTQLQIEISA-N 315.337 -0.475 30 20 DBED C=CCN1CCO[C@H](CNC(=O)c2cc(C(N)=O)ccn2)C1 1035625362 QLEVRVOIHAIPEE-GFCCVEGCSA-N 304.350 -0.203 30 20 DBED Cn1nc(C(=O)N2CCC3(CC2)CN(CC#N)C3)ccc1=O 1035846567 PGNKJOOVKPCMMX-UHFFFAOYSA-N 301.350 -0.158 30 20 DBED C#CCCN1CC[C@H]2CN(C(=O)CN3C(=O)CNC3=O)CC[C@H]21 1036887941 ADBAGEDEJWBIJV-QWHCGFSZSA-N 318.377 -0.516 30 20 DBED C=CCn1cc(C(=O)N2C[C@@H]3CCC[C@H](C2)N3CC(N)=O)nn1 1039940802 KQSJNRMODLDZOD-TXEJJXNPSA-N 318.381 -0.372 30 20 DBED C#Cc1ccc(C(=O)NC[C@]2(O)CCN(C(=O)COC)C2)nc1 1040428770 CLWLSRKKBKSLSZ-MRXNPFEDSA-N 317.345 -0.598 30 20 DBED N#Cc1ccc(C(=O)N2CC(O)(CNC(=O)[C@@H]3CCCO3)C2)[nH]1 1041350505 PTDPLZGAMMXBCU-LBPRGKRZSA-N 318.333 -0.632 30 20 DBED N#Cc1cncc(N[C@H]2C[C@H](NC(=O)C(N)=O)C23CCC3)n1 1041612650 RXBQDRUGCLAVGM-UWVGGRQHSA-N 300.322 -0.327 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)CCn2cccn2)C1 1041951969 JSHRTDQVSXHESU-UHFFFAOYSA-N 306.366 -0.071 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)c2cnns2)C1 1042039616 FHBAJBWHYAJOLW-UHFFFAOYSA-N 312.351 -0.956 30 20 DBED C#CCNC(=O)CC(=O)NCC1(O)CN(C(=O)/C=C(\C)CC)C1 1042672045 FTJAKPGOIGSMMT-KPKJPENVSA-N 321.377 -0.828 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)CN2CCCC2=O)C1 1042802223 GSEGHYRSPKSJHO-UHFFFAOYSA-N 321.377 -0.898 30 20 DBED C=C[C@H](C)[C@H](C)C(=O)N1CC(O)(CNC(=O)c2cn(C)nn2)C1 1042885808 SOPOSRUHJDTDSA-QWRGUYRKSA-N 321.381 -0.424 30 20 DBED CCC[C@H](OC)C(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042964493 GTBWOBVEDNPQSL-ZDUSSCGKSA-N 308.378 -0.096 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)[C@@H]3COCCO3)C2)cn1 1043862031 RRVGHIDARRQYBL-RDBSUJKOSA-N 318.333 -0.966 30 20 DBED N#CCN1CCC2(CC1)CO[C@@H](CNC(=O)[C@H]1CNC(=O)N1)C2 1045678688 ZMFLSCCBZBIWLB-VXGBXAGGSA-N 321.381 -0.821 30 20 DBED C#CCN1CC[C@@H](N2CCN(C(=O)c3cnn(CC)n3)CC2)C1 1046025551 ICFRBGJSPOQRMZ-CQSZACIVSA-N 316.409 -0.237 30 20 DBED C#CCN1CC[C@@H](N2CCN(C(=O)[C@@H]3CCN(C)C3=O)CC2)C1 1046055103 NWNJAGHMXYYCLT-HUUCEWRRSA-N 318.421 -0.684 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccnn2CCOC)C1 1047422373 PFRVBUJUXBJTAP-GJZGRUSLSA-N 320.393 -0.330 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)C(=O)N2CCC[C@@H](C)C2)C1 1047554823 LYDAZXAMJUHOCI-ILXRZTDVSA-N 321.421 -0.228 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)C2CCN(CC#C)CC2)C1 1047638138 CUAORGJKHXWYTE-IRXDYDNUSA-N 317.433 -0.142 30 20 DBED C#CCC1(C(=O)N(C)[C@H]2CN(C(=O)CC(N)=O)C[C@@H]2O)CCC1 1048954023 TVGMUSZXVVJSDG-RYUDHWBXSA-N 321.377 -0.915 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)c2ccccn2)C[C@@H]1O 1049388196 GWLDHTLJQLVSQO-DRZSPHRISA-N 302.334 -0.115 30 20 DBED C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)CN1CCC(=O)NC1=O 1049832863 ZIJMYLJEJBHJBG-STQMWFEESA-N 318.377 -0.373 30 20 DBED C#CCN1CCC(C(=O)NC[C@@H]2COCCN2CCOC)CC1 1051256530 WZZCHXKRVKUIDI-MRXNPFEDSA-N 323.437 -0.205 30 20 DBED N#CCN1CCN([C@H]2CCN(C(=O)[C@H]3CCNC(=O)C3)C2)CC1 1052011116 NBTVAZMUTZJUBB-KBPBESRZSA-N 319.409 -0.745 30 20 DBED N#Cc1cnc(NC2CC(CNC(=O)[C@H]3CNC(=O)N3)C2)cn1 1052073247 VNVRQPJTDLDOEZ-NWGYLPEXSA-N 315.337 -0.664 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H](C)[C@H](CNC(=O)C2CC2)C1 1052398124 UJMUXZXLUQUJAK-WCQYABFASA-N 305.378 -0.253 30 20 DBED CC(C)N1C(=O)CC[C@H]1C(=O)N1CCOC2(CN(CC#N)C2)C1 1053391928 IHXMMNPIUANIRM-ZDUSSCGKSA-N 320.393 -0.177 30 20 DBED C=CCN1CC2(C1)CN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)CCO2 1053428229 LAYNPGFFFIYZSE-NWDGAFQWSA-N 309.366 -0.882 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)[C@H](C)[C@@H]1CCC(=O)N1)CCO2 1053443357 VRGHSVSCEYWLNW-KGLIPLIRSA-N 319.405 -0.162 30 20 DBED C=CCN1CC2(C1)CN(C(=O)C(=O)N1CC[C@H](C)C1)CCO2 1053502376 SCPMPQPTEVIWAY-ZDUSSCGKSA-N 307.394 -0.046 30 20 DBED N#CCN1CC2(CC[C@H](CNC(=O)[C@H]3CCCNC3=O)O2)C1 1053613406 CVTVVTWJQUJXDF-NEPJUHHUSA-N 306.366 -0.614 30 20 DBED CC#CCN1CC2(CC[C@@H](CNC(=O)[C@@H]3CNC(=O)N3)O2)C1 1053653952 ALQADYWGAJEWBG-RYUDHWBXSA-N 306.366 -0.959 30 20 DBED N#CCN1CC2(CC[C@@H](CNC(=O)c3c[nH]c(C(N)=O)c3)O2)C1 1053698924 YTTWNFMPIIHUIQ-NSHDSACASA-N 317.349 -0.400 30 20 DBED COCCn1cc(C(=O)N[C@@H]2COC3(C2)CN(CC#N)C3)cn1 1053994540 HTAXBIRYHYNCPU-ZDUSSCGKSA-N 319.365 -0.374 30 20 DBED C=CCN1CC2(C[C@H](NC(=O)[C@H](C)N3CCOCC3)CO2)C1 1054026141 QSBQJBCIBRPFQQ-KBPBESRZSA-N 309.410 -0.147 30 20 DBED C[C@H]1CN(C(=O)CN2C(=O)CC(C)(C)C2=O)C[C@H]1NCC#N 1054664975 ZIZLWVFZIHQDSS-WDEREUQCSA-N 306.366 -0.268 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2CN(C(=O)c3cnon3)C[C@@H]2C1 1055337725 FWYCGLUZUYBNTB-SDDRHHMPSA-N 318.333 -0.362 30 20 DBED C=C(C)C[C@@H](C)C(=O)N1CCC[C@@](CO)(NC(=O)C(N)=O)C1 1056091322 SJCBYBNUDPRXMY-IAQYHMDHSA-N 311.382 -0.456 30 20 DBED CCN(CC)CC(=O)N1CCC[C@@](CO)(NC(=O)[C@@H](C)C#N)C1 1056096355 HIFHFMDBZIOIEE-XJKSGUPXSA-N 324.425 -0.042 30 20 DBED Cc1c(C(=O)N[C@H]2[C@@H]3CN(c4cnc(C#N)cn4)C[C@@H]32)nnn1C 1056176526 QGCQVXMRKNNQDO-YABSGUDNSA-N 324.348 -0.350 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)c1cc(C)nn1C 1057104791 DVENPYIBEHGRIP-UHFFFAOYSA-N 324.381 -0.518 30 20 DBED C#CCO[C@H](C)C(=O)NCCN(CCO)C(=O)COC(C)C 1057137765 RKTWYUBNVOOXPL-CYBMUJFWSA-N 314.382 -0.613 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)C1=CCOCC1 1057193872 RKIOKTGCEDGASN-UHFFFAOYSA-N 312.366 -0.527 30 20 DBED C=C[C@H](C)[C@@H](C)C(=O)NCCN(CCO)C(=O)Cn1ncnn1 1057675526 XKYJDUYOPHLYBM-NWDGAFQWSA-N 324.385 -0.932 30 20 DBED Cc1ncn(C)c1C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N 1057881152 MCOCSWOAYRABNH-JTQLQIEISA-N 307.354 -0.561 30 20 DBED CCOc1cc(C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N)on1 1058116102 IIKWFMZWJWHYNN-JTQLQIEISA-N 324.337 -0.216 30 20 DBED CN(C[C@H]1CCCN(C(=O)CC(N)=O)C1)c1ccc(C#N)nn1 1058681715 IXZDRCOAOFKFSH-LLVKDONJSA-N 316.365 -0.102 30 20 DBED Cn1cnc(C(=O)N2[C@H]3CC[C@H]2CN(c2ccc(C#N)nn2)C3)n1 1058753154 FQGCCXDZAORBAA-RYUDHWBXSA-N 324.348 -0.030 30 20 DBED N#Cc1cnc(N[C@H]2CCN(C(=O)[C@H]3COCCO3)C2)cn1 1058846032 DPJZTLUWAFJWFW-CMPLNLGQSA-N 303.322 -0.224 30 20 DBED Cn1oc(C(=O)N2CC[C@H](Nc3ccc(C#N)nn3)C2)cc1=O 1058855831 MVKQNNKCBLICFH-JTQLQIEISA-N 314.305 -0.033 30 20 DBED Cc1ccc(C#N)c(N[C@H]2CCN(C(=O)Cn3ncnn3)C2)n1 1058969640 AIKQWPVGEIWRLY-LBPRGKRZSA-N 312.337 -0.039 30 20 DBED CC(=O)N1CC(C(=O)N[C@H]2C[C@H](Nc3ccc(C#N)nn3)C2)C1 1059198888 JBGHAQUPSDBXEY-JOCQHMNTSA-N 314.349 -0.114 30 20 DBED C[C@]1(C(=O)N[C@H]2C[C@@H](N=c3cc[nH]cc3C#N)C2)CNC(=O)C1 1059773296 IHUXFZUEVQWLNL-BFQNTYOBSA-N 313.361 -0.040 30 20 DBED C#CCOCCC(=O)NCC[C@@H]1CCN(C(=O)c2nc[nH]n2)C1 1060112613 ZTLDPZZXHGUUDI-GFCCVEGCSA-N 319.365 -0.187 30 20 DBED Cn1nncc1C(=O)NC[C@H]1CCCN1c1cncc(C#N)n1 1061353655 NFMMRAYYMROSPL-LLVKDONJSA-N 312.337 -0.124 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)CCc1ncc[nH]1 1061848406 QOTYSIUGHKYNQV-VXGBXAGGSA-N 319.365 -0.154 30 20 DBED Cc1nnc(CC(=O)N2CCOC[C@H]2CNC(=O)[C@@H](C)C#N)o1 1061848411 QRMZYGDKOKHSBH-GXSJLCMTSA-N 321.337 -0.576 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)c2cnn(C)c2N)CCC1 1062836641 PUVFKNDPAVIKAF-SECBINFHSA-N 304.354 -0.069 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)C[C@@H]2CCC(=O)N2)CCO1 1065331164 ADEUYEBTYNQNQM-QWHCGFSZSA-N 323.393 -0.035 30 20 DBED C#CCCCCC(=O)NC[C@@H]1CN(C(=O)c2nc[nH]n2)CCO1 1065447589 REIBLNUADAKHDZ-GFCCVEGCSA-N 319.365 -0.045 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@@H](N2CCN(C(C)=O)CC2)C1 1065703922 HGTGNKUUVSLVDC-DZGCQCFKSA-N 307.394 -0.210 30 20 DBED CC1(C)CN(c2ccnc(C#N)n2)CC[C@@H]1NC(=O)C(N)=O 1067336214 HOMUNLUVXBDNSQ-VIFPVBQESA-N 302.338 -0.445 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](CNC(=O)c3cncnc3)C2)nc1 1067665890 VCKPJYIRVJHNEK-KGLIPLIRSA-N 324.344 -0.030 30 20 DBED N#CCN1CCn2ncc(CNC(=O)[C@@H]3CCNC(=O)C3)c2C1 1069856845 NTKJGRHBLQTZBX-LLVKDONJSA-N 316.365 -0.635 30 20 DBED Cc1nn[nH]c1C(=O)NCC1(NC(=O)[C@H](C)C#N)CCOCC1 1070233736 CWVJBFPJPNVZKE-SECBINFHSA-N 320.353 -0.332 30 20 DBED C=CCN1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CNC(=O)N2)C1 1070422795 IPKZZICZCASUBF-JQWIXIFHSA-N 318.381 -0.317 30 20 DBED Cn1ccc(C(=O)N2C[C@@H](NCC#N)[C@H](c3cncn3C)C2)n1 1070718055 KRTYJBDONYFVDP-DGCLKSJQSA-N 313.365 -0.125 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)c2nnn(C)c2C)CC1 1070949505 HYFGWGMRTYTQJS-UHFFFAOYSA-N 318.381 -0.979 30 20 DBED N#CCN1CCNC(=O)CCN(C(=O)CC[C@H]2CCOC2)CC1 1070951308 IZOXSUICDSXLQZ-AWEZNQCLSA-N 322.409 -0.023 30 20 DBED N#CCN1CCNC(=O)CCN(C(=O)CC2=CCOCC2)CC1 1070996572 XXZSWDYXZSSMFM-UHFFFAOYSA-N 320.393 -0.103 30 20 DBED COc1cnc(C(=O)NC[C@H]2CN(CC#N)CCCO2)nc1 1073690551 YYIJQJYDRPVEKA-LBPRGKRZSA-N 305.338 -0.171 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)[C@H]2CCc3nn[nH]c3C2)C1 1073859824 UAOJCRKEGJOAGA-QWHCGFSZSA-N 317.393 -0.250 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CCN(C(=O)CNC(N)=O)C[C@@H]1C 1073932376 FOIKARGNTBQNGT-NWDGAFQWSA-N 308.382 -0.333 30 20 DBED C#CCCCC(=O)N1CC[C@H](NC(=O)Cn2ncnn2)[C@H](C)C1 1073977299 MYICCPSWMPBPNS-OLZOCXBDSA-N 318.381 -0.170 30 20 DBED CC[C@@H](C(=O)N1CCC(O)(CNC(=O)[C@H](C)C#N)CC1)N(C)C 1074647199 OILZPTRFSIYQKV-OLZOCXBDSA-N 324.425 -0.044 30 20 DBED CCN(CC)CC(=O)NCC1(O)CCN(C(=O)[C@@H](C)C#N)CC1 1074704637 FFWQRFOYCMGHON-ZDUSSCGKSA-N 324.425 -0.042 30 20 DBED C#CCN1C[C@@H]2CCN(C(=O)[C@@H]3CCCS(=O)(=O)C3)[C@@H]2C1 1076311933 IQJNTWTWDIBKHW-BFHYXJOUSA-N 310.419 -0.023 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)c2nn3c(c2C)OCCC3)C1 1077099588 IWAJTFLCWBPDBD-CHWSQXEVSA-N 318.377 -0.228 30 20 DBED C[C@@H](CCNC(=O)c1nnc(O)nc1O)NC(=O)C#CC1CC1 1077578144 NTEWBTSCZYBSKJ-QMMMGPOBSA-N 319.321 -0.679 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)C2CCN(CC3CC3)CC2)C1 1077975619 RGVDPOVAZRIBMZ-HUUCEWRRSA-N 306.410 -0.207 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC(=O)N(C)C2)C1 1078234136 LQOVOHJXZKIYCI-QJPTWQEYSA-N 315.801 -0.231 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2ncccn2)C[C@@H]1O 1081343838 IMJCAJBHFCEDJD-RYUDHWBXSA-N 320.349 -0.772 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@@H]1O 1081441668 KWESHMNIOJNETO-RYUDHWBXSA-N 323.393 -0.763 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)c2ccncn2)C[C@@H]1O 1081464240 XIKIZLDOVUMGDP-OCCSQVGLSA-N 316.361 -0.315 30 20 DBED C=CCCC1(C(=O)NC[C@H]2CN(C(=O)C(N)=O)C[C@@H]2O)CC1 1081741709 KRGQLYGOQCADPK-QWRGUYRKSA-N 309.366 -0.846 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@H](CNC(=O)Cn2cncn2)C1 1081787377 FOXZDRSLUVLUIS-NEPJUHHUSA-N 307.354 -0.820 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CC(=O)N(CC)C1 1083098921 MGERDPSNDGZPIA-QLFBSQMISA-N 319.405 -0.210 30 20 DBED C=CCN1CC[C@@H]2CN(C(=O)Cn3ccc(=O)n(C)c3=O)[C@@H]2C1 1084388479 ZACMBBBKZYUYGA-CHWSQXEVSA-N 318.377 -0.734 30 20 DBED C#CCN1CC[C@@H]2CCN(C(=O)C[C@H]3CC(=O)NC3=O)C[C@@H]21 1085107972 YJIKNGZKBINVGG-UPJWGTAASA-N 303.362 -0.405 30 20 DBED C=CCn1cc(C(=O)N(C)C[C@H]2CCN2[C@H](C)C(N)=O)nn1 1085860838 JMNNYJRJSRSPKT-GHMZBOCLSA-N 306.370 -0.516 30 20 DBED C#CCN1CC[C@H](NC(=O)[C@@H]2CC(=O)N(CCOC)C2)[C@H]1C 1088601970 RSQQQWAXSOACNE-MCIONIFRSA-N 307.394 -0.307 30 20 DBED CNC(=O)NCC(=O)N[C@@H](C)C[C@@H](C)Nc1ccc(C#N)nn1 1089498842 JYHLZLMCGHTWMK-ZJUUUORDSA-N 319.369 -0.028 30 20 DBED C=CCN1C[C@@H](NC(=O)[C@H]2CNC(=O)N2)CC2(CCOCC2)C1 1089952224 GQYMGCLZENHPJP-QWHCGFSZSA-N 322.409 -0.159 30 20 DBED C=CCN1CC[C@H](NC(=O)c2nnn(C(C)(C)C)n2)[C@H](O)C1 1090278442 DPLXLJOIEFISDJ-WDEREUQCSA-N 308.386 -0.221 30 20 DBED C#CCN1CC[C@H](NC(=O)c2ccn(CC(F)F)n2)[C@@H](O)C1 1090345504 WWVRZXNYAGXWBU-JQWIXIFHSA-N 312.320 -0.054 30 20 DBED CSCCC(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1091067274 XCTJKIGFRYBNPE-MNOVXSKESA-N 307.379 -0.233 30 20 DBED COCCOCC(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@@H]1O 1091078884 FUURYTAIYHSVIA-KGLIPLIRSA-N 320.349 -0.718 30 20 DBED Cc1nc(N2C[C@H](O)[C@H](NC(=O)CCN(C)C)C2)ccc1C#N 1091177736 HRLQDMKNSUQHNO-KGLIPLIRSA-N 317.393 -0.121 30 20 DBED CC(=O)N(C)CC(=O)N[C@H]1CCN(c2ccc(C#N)nn2)[C@@H]1C 1091933330 CZKXGYOBUFCTPN-MFKMUULPSA-N 316.365 -0.090 30 20 DBED N#Cc1nccnc1N1CC[C@@]2(CNC(=O)C(N)=O)CCC[C@@H]12 1092712892 OXQNQXZQXJEPJA-IAQYHMDHSA-N 314.349 -0.301 30 20 DBED C=CCOCC(=O)N1CCN(c2ccc3nnnn3n2)CC1 1093141167 HJSKOERYBSOQDZ-UHFFFAOYSA-N 303.326 -0.630 30 20 DBED CC[C@@H](NC(C)=O)C(=O)N1CCN(c2cnc(C#N)cn2)CC1 1093196897 NAHRCKACZAJWIY-CYBMUJFWSA-N 316.365 -0.088 30 20 DBED C=CCN1CC(n2cc(CNC(=O)[C@H]3COC(=O)N3)nn2)C1 1094287893 UVWZNGKRZURMMN-LLVKDONJSA-N 306.326 -0.955 30 20 DBED Cc1nn(C)cc1C(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1 1094713704 FXTYBFHSJDWTEX-NSHDSACASA-N 316.365 -0.733 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)c3csnn3)CC2=O)C1 1094764212 BFOOXJCQCKTXKV-SECBINFHSA-N 305.363 -0.814 30 20 DBED C[C@H](NC(N)=O)C(=O)N1CC[C@@H](Nc2ccc(C#N)nn2)C1 1095029085 TULYPLXYYGKEOT-WCBMZHEXSA-N 303.326 -0.582 30 20 DBED Cc1cc(=N[C@@H]2CCN(C(=O)CCNC(N)=O)C2)c(C#N)c[nH]1 1095035282 VMAPKUKAOQQHJU-GFCCVEGCSA-N 316.365 -0.245 30 20 DBED CCc1nc(C#N)cc(N2CCC(CNC(=O)C(N)=O)CC2)n1 1095377268 PLOOQBOIYHXGPQ-UHFFFAOYSA-N 316.365 -0.271 30 20 DBED CC(=O)NCC(=O)NC1CCN(c2nccnc2C#N)CC1 1095387648 MWJDAAGNXAFTPT-UHFFFAOYSA-N 302.338 -0.431 30 20 DBED COCC(=O)NCCN1CCN(c2cncc(C#N)n2)CC1 1096268135 ZEXVBPPIFHNRSE-UHFFFAOYSA-N 304.354 -0.767 30 20 DBED CN(C)CCOCC(=O)N[C@H]1CCN(c2cnc(C#N)cn2)C1 1096401415 TXPBBWMATVBKQN-LBPRGKRZSA-N 318.381 -0.379 30 20 DBED C[C@@H](CNC(=O)[C@]1(C)CCC(=O)N1)Nc1ccc(C#N)nn1 1098238453 YJDBCKPTBPJCBG-XPTSAGLGSA-N 302.338 -0.066 30 20 DBED C[C@@H](C(=O)NC[C@@H](C)Nc1ccc(C#N)nn1)S(C)(=O)=O 1098392603 HGPYCSFTXCSLGW-BDAKNGLRSA-N 311.367 -0.302 30 20 DBED C#CCCN(CCO)C1CCN(C(=O)c2c[nH]c(=O)cn2)CC1 1098462528 ZAKHPEZBVPPBEY-UHFFFAOYSA-N 318.377 -0.308 30 20 DBED C=CCCCN(CCO)C1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 1098463457 MOASBRJIQAKEIM-AWEZNQCLSA-N 324.425 -0.081 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2ccnn2C)[C@@H](O)C1 1099711516 ATGKYWSNUVJRBD-JSGCOSHPSA-N 306.366 -0.765 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(CCc2ccnn2C)C[C@@H]1O 1099738555 PPJGVNFJFDSSLQ-GJZGRUSLSA-N 322.409 -0.283 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CCN(CC2CCC2)C[C@@H]1O 1099789694 QGACNTSVTCUDTF-KBPBESRZSA-N 307.394 -0.523 30 20 DBED CCn1ncnc1CN1CC[C@H](NC(=O)C#CC2CC2)[C@H](O)C1 1099824758 YQYQJQXYIBHFNT-UONOGXRCSA-N 317.393 -0.237 30 20 DBED C#CCOCCC(=O)N[C@H]1CCN(Cc2nonc2C)C[C@@H]1O 1099832993 PUJAHNBAKDGGAB-JSGCOSHPSA-N 322.365 -0.531 30 20 DBED C#CCN1CC[C@H](NC(=O)CCCN2C(=O)CCC2=O)[C@@H](O)C1 1099864716 UEIIKFNWOWGABI-STQMWFEESA-N 321.377 -0.900 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CCn2ccccc2=O)[C@@H](O)C1 1099866912 PIOQWTWITUJUEC-CABCVRRESA-N 317.389 -0.187 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)c2c[nH]nc2C)[C@H](O)C1 1099938511 XCWSQTSWQFFEHV-CHWSQXEVSA-N 321.381 -0.815 30 20 DBED CC#CCN1CC[C@H](NC(=O)CCCn2cncn2)[C@H](O)C1 1100065063 WXCZUVYCGGPGSM-UONOGXRCSA-N 305.382 -0.367 30 20 DBED C#CCN1CC[C@@H](NC(=O)CS(=O)(=O)C(C)(C)C)[C@H](O)C1 1100077180 YJKMFIIDNSGWTB-VXGBXAGGSA-N 316.423 -0.616 30 20 DBED C#CCN1CC[C@@H](NC(=O)C(C)(C)CS(C)(=O)=O)[C@@H](O)C1 1100136059 HFNLQHPNSGXWKF-NEPJUHHUSA-N 316.423 -0.758 30 20 DBED CC[C@@]1(C(=O)NCCN(C)c2cnc(C#N)cn2)CCNC1=O 1100402191 WHBPZGFDXCKUHY-OAHLLOKOSA-N 316.365 -0.183 30 20 DBED C=C(C)CNC1CC(CNC(=O)C[C@H](NC(C)=O)C(N)=O)C1 1100734876 BQWDZDZFIPIFPR-BPCQOVAHSA-N 310.398 -0.573 30 20 DBED CC#CCNC1CC(CNC(=O)CCn2cc[nH]c(=O)c2=O)C1 1100764091 PRTNNZCNOVEXOG-UHFFFAOYSA-N 318.377 -0.566 30 20 DBED C[C@@H](C(=O)NC[C@@H](C)CN=c1cc[nH]c(C#N)n1)n1cncn1 1103923063 QHXMWAOHKZCAMR-QWRGUYRKSA-N 314.353 -0.213 30 20 DBED C[C@@H](CNC(=O)c1nnn(C)n1)CNc1ccc(C#N)nn1 1104181487 CJWJBUDIFNDKES-MRVPVSSYSA-N 301.314 -0.650 30 20 DBED C[C@@H](CNC(=O)C1(C(N)=O)CC1)CNc1cnc(C#N)cn1 1104192244 WKAHJCJFWOYTFO-SECBINFHSA-N 302.338 -0.222 30 20 DBED COCC#CCNCC[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1C 1104199115 MQLYHOHLGQHPIE-ZIAGYGMSSA-N 320.397 -0.603 30 20 DBED N#CCNCc1cn(C2CN(C(=O)c3csnn3)C2)nn1 1105292160 BRROTVWQIDKIBP-UHFFFAOYSA-N 304.339 -0.560 30 20 DBED CN(CCN(C)c1cnc(C#N)cn1)C(=O)[C@H]1CCNC1=O 1105535629 PVQYESURMAUZQC-NSHDSACASA-N 302.338 -0.621 30 20 DBED CCc1nc(C#N)cc(NC[C@H](O)CNC(=O)CCOC)n1 1105696631 GYBKQMNWGWJIGV-NSHDSACASA-N 307.354 -0.164 30 20 DBED Cc1conc1C(=O)NC[C@H](O)CNc1ccc(C#N)nn1 1105954693 CNBDCZNGEUOUPZ-SNVBAGLBSA-N 302.294 -0.153 30 20 DBED C[C@@H](CCNc1ccc(C#N)nn1)NC(=O)CS(C)(=O)=O 1106238431 BSNGFPPUNDNZQQ-VIFPVBQESA-N 311.367 -0.300 30 20 DBED C=CCCC(=O)NCc1cn(C2CN([C@H]3CCNC3=O)C2)nn1 1107142814 QUUJPFCWJKOWDY-ZDUSSCGKSA-N 318.381 -0.394 30 20 DBED N#Cc1nc(=NC/C=C/CNC(=O)[C@]2(F)CCOC2)cc[nH]1 1107482720 QSLSEHHTFVHVCV-YUKKFKLSSA-N 305.313 -0.017 30 20 DBED Cn1cc(C(=O)NC/C=C/CN=c2cc[nH]cc2C#N)ncc1=O 1107611652 XGSTVLJTGWJFQV-NSCUHMNNSA-N 324.344 -0.133 30 20 DBED C=CCCC(=O)NC[C@]1(C)CN(Cc2nnn(C)n2)CCO1 1107801817 BQPWBEYWJMZSRX-CQSZACIVSA-N 308.386 -0.117 30 20 DBED CC#CCN1CCO[C@](C)(CNC(=O)c2cn(C)c(=O)cn2)C1 1108084746 MLOHXIOMNRPGOV-MRXNPFEDSA-N 318.377 -0.376 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)[C@H](C)CN2CCOCC2)C1 1108401185 OYYSZWQXSBZYNN-NVXWUHKLSA-N 323.437 -0.205 30 20 DBED C[C@]1(CNC(=O)COC[C@@H]2CCCO2)CN(CC#N)CCO1 1108441800 SLDCRBAXYUSBKV-ZFWWWQNUSA-N 311.382 -0.087 30 20 DBED CC#CCN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1cnnc1O)C2 1108663789 XOMXINAMONJAAM-XQQFMLRXSA-N 303.366 -0.024 30 20 DBED C[C@@H](CN(C)c1cncc(C#N)n1)NC(=O)[C@@H]1COCCN1C 1108943156 LVBLPUMKCAMHAV-AAEUAGOBSA-N 318.381 -0.380 30 20 DBED C[C@H](CN(C)c1cncc(C#N)n1)NC(=O)C(=O)NCC1CC1 1109060845 OMYKEGCROLXNTG-SNVBAGLBSA-N 316.365 -0.185 30 20 DBED C[C@H](CN(C)c1ccnc(C#N)n1)NC(=O)Cn1nccn1 1109103215 FFYJNQFPVLULNX-SNVBAGLBSA-N 300.326 -0.419 30 20 DBED CNC(=O)NCC(=O)N(C)CCCN=c1cc(C)[nH]cc1C#N 1109656611 BYUWFUOBTGDUHW-UHFFFAOYSA-N 318.381 -0.127 30 20 DBED N#Cc1ccc(NC[C@H](NC(=O)Cn2cnnn2)C2CC2)cn1 1109775461 KVXGDFKGFQAJIO-ZDUSSCGKSA-N 312.337 -0.053 30 20 DBED C[C@H](NC(N)=O)C(=O)N[C@@H](CNc1nccnc1C#N)C1CC1 1109842700 KBHVUYIHXBTWGZ-KWQFWETISA-N 317.353 -0.288 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C[C@@H](C)OC 1110369971 HXPRXZANHMJCRV-SYQHCUMBSA-N 307.394 -0.118 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC 1110546479 YRDPCQJVPQYQHR-SYQHCUMBSA-N 307.394 -0.118 30 20 DBED C[C@]1(NC(=O)CCNC(N)=O)CCN(c2nccnc2C#N)C1 1110760438 MCWNAFMSWXIFFA-AWEZNQCLSA-N 317.353 -0.508 30 20 DBED COCC(=O)NC[C@]1(O)CCN(c2ncc(C#N)cc2F)C1 1111033852 ZUWPVVKWJQCIOY-CQSZACIVSA-N 308.313 -0.204 30 20 DBED N#Cc1nc(=NCCN(CCO)C(=O)c2cnco2)cc[nH]1 1111533430 DYIWVRVGPXJVLP-UHFFFAOYSA-N 302.294 -0.695 30 20 DBED C[C@H](CNC(=O)[C@H]1CN(C)CCO1)N(C)c1cnc(C#N)cn1 1113534008 QEEFOXOSTPBRJS-DGCLKSJQSA-N 318.381 -0.380 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)c3cnn(C)c3)[C@H]2C1 1113841806 ICTOCUBLTCHSCO-DRZSPHRISA-N 315.377 -0.782 30 20 DBED C[C@H](CNC(=O)[C@]1(C)CCNC1=O)N(C)c1ccc(C#N)nn1 1113872136 JEAWGAORGFVFHY-MEBBXXQBSA-N 316.365 -0.185 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1[C@@H]2CN(CC(=O)NC3CCOCC3)C[C@@H]21 1114064142 MWYQNDCYBTWHMG-PBOSXPJTSA-N 320.393 -0.512 30 20 DBED COCC#CCN1C[C@@H]2C(NC(=O)c3c(C)ncnc3O)[C@H]2C1 1114721064 IWWHJWPSXBZTCD-RYUDHWBXSA-N 316.361 -0.200 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3csc(C)n3)[C@H]2C1 1114731097 OPNZIDSFUVISBT-YABSGUDNSA-N 318.402 -0.139 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)c3cnn(C)n3)[C@H]2C1 1114973501 XRXRUDZXHAPVPG-DCQANWLSSA-N 318.381 -0.834 30 20 DBED CN(c1cnc(C#N)cn1)C1CCN(C(=O)CNC(N)=O)CC1 1115129188 CGKAKIMTAXQYTE-UHFFFAOYSA-N 317.353 -0.556 30 20 DBED CC(C)[C@@H](O)C(=O)NCCOCCN(C)c1cncc(C#N)n1 1115208162 POOOTEBKDRZOJM-CQSZACIVSA-N 321.381 -0.066 30 20 DBED CCS(=O)(=O)NCCCNC(=O)C1(C#N)CCOCC1 1116015576 KZWPKWZAJSCZNN-UHFFFAOYSA-N 303.384 -0.248 30 20 DBED COCC#CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 1118549412 RGZJLPJEXDJDBI-UHFFFAOYSA-N 314.349 -0.338 30 20 DBED C#CCCCn1nnnc1N1CCN(c2cnn(C)c2)C(=O)C1 1120155289 CVIFZTWYLJYPJO-UHFFFAOYSA-N 314.353 -0.327 30 20 DBED C[C@@H](CC(N)=O)C(=O)N(C)C[C@@H](C)N=c1cc[nH]c(C#N)n1 1120399168 KAYKXSRBPGJZLU-VHSXEESVSA-N 304.354 -0.460 30 20 DBED Cn1cccc1C(=O)NC[C@@H](CO)Nc1cncc(C#N)n1 1121067257 LOMIJKGGTXDCSA-NSHDSACASA-N 300.322 -0.110 30 20 DBED CC[C@H](C(=O)NC[C@H](CO)N=c1cc(C)[nH]cc1C#N)N(C)C 1121812432 NGNAUQZQKKAYAL-UKRRQHHQSA-N 319.409 -0.087 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H](CO)N=c1cc(C)[nH]cc1C#N 1122037711 ZADCXMCPSIPENL-OCCSQVGLSA-N 316.361 -0.389 30 20 DBED Cc1cc(=N[C@H](CO)CNC(=O)c2cncn2C)c(C#N)c[nH]1 1122219216 RZWMKNABDILHCE-LBPRGKRZSA-N 314.349 -0.380 30 20 DBED C[C@H]1CCN(CC(=O)NC[C@@H](CO)N=c2cc[nH]c(C#N)n2)C1 1122528080 SBXQQGNDPOWBSJ-RYUDHWBXSA-N 318.381 -0.999 30 20 DBED C[C@@H]1CC[C@H](C(=O)NC[C@@H](CO)N=c2cc[nH]cc2C#N)O1 1122658790 AWXXDFNXTZTBDU-SCDSUCTJSA-N 304.350 -0.168 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)CCn1cccn1 1123712460 KHSJVGNZRZLOJK-UHFFFAOYSA-N 320.397 -0.259 30 20 DBED CCN(CC)CC(=O)N(C)C[C@@H](O)CN=c1cc[nH]cc1C#N 1124364647 KQNUIDPKYHAAFQ-AWEZNQCLSA-N 319.409 -0.052 30 20 DBED COC1CC(C(=O)N(C)C[C@H](O)CN=c2cc[nH]c(C#N)n2)C1 1124579160 YBFRSZONXBMVJK-MOENNCHZSA-N 319.365 -0.574 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)Cc2cnn(C)c2)C1=O 1124622231 VFJKAGMSMBQVGU-CYBMUJFWSA-N 305.382 -0.545 30 20 DBED C[C@H](CC(N)=O)C(=O)N(C)C[C@@H](O)CNc1ncccc1C#N 1124689505 SICUAIIZEKXWJU-PWSUYJOCSA-N 319.365 -0.304 30 20 DBED CC(C)[C@@H](O)C(=O)N(C)C[C@@H](O)CN(C)c1ccnc(C#N)n1 1125074402 DAMJTGRFCGKEEW-SMDDNHRTSA-N 321.381 -0.379 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)c1cn(C)nn1 1126659066 ZPLUPXBLBCWUGH-UHFFFAOYSA-N 306.370 -0.665 30 20 DBED C#CCNC(=O)CN1CCn2ncc(CNC(=O)CCC)c2C1 1128153044 AVFMZHMDPZGLNF-UHFFFAOYSA-N 317.393 -0.136 30 20 DBED N#CCN1CCn2ncc(CNC(=O)CCn3ccnn3)c2C1 1128321839 OUKQZCIXFXDGHW-UHFFFAOYSA-N 314.353 -0.480 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)CSC)C[C@@H]1n1ccnn1 1129547577 GAYTYBYJPFQNHB-OLZOCXBDSA-N 323.422 -0.368 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1Cc2ccccc2O1 1131021420 GTHBBLNTMIESTM-IUODEOHRSA-N 315.373 -0.166 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1cccnc1C(F)F 1131132146 DYPHJAFMOBOVTN-UHFFFAOYSA-N 311.292 -0.022 30 20 DBED C=CCCN1CCNC(=O)CCN(C(=O)[C@@H](C)NC(C)=O)CC1 1131325577 LTONNMADAUESGA-CYBMUJFWSA-N 324.425 -0.262 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)C2(CN(C)C)CC2)CC1 1131378917 MBBGZHQMKURDGZ-UHFFFAOYSA-N 320.437 -0.388 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](C)O[C@]2(CCN(CC)C2)C1 1131653502 SUZODCRGCIIPAX-CJNGLKHVSA-N 307.394 -0.162 30 20 DBED CNC(=O)C1(C(=O)N2C[C@@H](C)O[C@@]3(CCN(CC#N)C3)C2)CC1 1131688814 RWBJNVYOAZQDDY-IUODEOHRSA-N 320.393 -0.272 30 20 DBED C=CCOCCNCCNC(=O)c1ccc(-n2cnnn2)cn1 1131754604 FFSNZSHHBCPLTH-UHFFFAOYSA-N 317.353 -0.421 30 20 DBED C=CCOCCN1C[C@H](NC(=O)Cn2cnnn2)CC[C@@H]1C 1131783959 LZDDNYHDCMPNSU-QWHCGFSZSA-N 308.386 -0.155 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)CCOC)CC[C@@H]1C 1132579163 YDUUTAWWPIZYDA-UONOGXRCSA-N 309.410 -0.154 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@H](CC)N(CC)CC 1133690918 WZTDHOUVFACMRR-KGLIPLIRSA-N 310.442 -0.050 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)CCn1cccn1 1133726243 GBKUHJFLKKEHIN-KBPBESRZSA-N 319.409 -0.105 30 20 DBED COCCOCC(=O)N[C@@H](C)C[C@@H](C)NCC(=O)NCC#N 1133926310 GMWGUGPHKBYNOL-NEPJUHHUSA-N 314.386 -0.838 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)C[C@H](C)NCc1nnc(C)o1 1134131209 SAZLDPCKFWNFGD-WDEREUQCSA-N 321.381 -0.110 30 20 DBED C#CCNC(=O)CNCCNC(=O)COc1cccc(OC)c1 1134144837 DOBVTSKSBOUVJM-UHFFFAOYSA-N 319.361 -0.471 30 20 DBED C[C@H](C[C@@H](C)NC(=O)c1cnn(C)c1N)NCC(=O)NCC#N 1134198321 WDHUAELLCVBCMI-NXEZZACHSA-N 321.385 -0.871 30 20 DBED C=CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)c1cc(=O)n(C)o1 1134219346 LQUNJNOIBOGKLQ-GHMZBOCLSA-N 324.381 -0.233 30 20 DBED C[C@H](C[C@@H](C)NC(=O)c1cnnc(O)c1)NCC(=O)NCC#N 1134677234 XIAORHNWWOEUCY-NXEZZACHSA-N 320.353 -0.692 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NCCNCCOCCO 1134816688 HGNFZPAYGOKSHC-ZDUSSCGKSA-N 301.387 -0.828 30 20 DBED C=CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)c1c[nH]c(=O)cn1 1135321464 VMXGKYFFAGZITE-WDEREUQCSA-N 321.381 -0.441 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)CN(CC)CC 1135705861 KHQSQQJYBBHVLZ-UONOGXRCSA-N 310.442 -0.050 30 20 DBED C#CCNC(=O)CC(=O)N1CC2(CCN(CCC[C@@H](C)O)C2)C1 1147369079 UNZWOXVEJNLNPM-CQSZACIVSA-N 321.421 -0.179 30 20 DBED N#CCNC(=O)CN1CCC2(C1)CN(C(=O)[C@H]1CC1(F)F)C2 1147474734 CAWUXMWUPFFZHQ-SNVBAGLBSA-N 312.320 -0.184 30 20 DBED C=CCOCCCC(=O)NC[C@H]1CN(CC(N)=O)CCCO1 1149480806 CMYMQBFHZVKODI-ZDUSSCGKSA-N 313.398 -0.338 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@](C)(NC(C)=O)C(C)C 1152884307 HKGRIDCZSQKPEO-OAHLLOKOSA-N 312.414 -0.455 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)CCCC(N)=O 1153467016 IQKVNHVLJIQOPX-UHFFFAOYSA-N 310.398 -0.452 30 20 DBED CC(C)(C(=O)NCCCNCC(=O)NCC#N)N1CCCCC1 1158073156 JZABZGXLLUVYNQ-UHFFFAOYSA-N 323.441 -0.013 30 20 DBED COCC#CCNCCCNC(=O)[C@@]12C[C@H]3C[C@H](C(=O)N1)[C@H]2C3 1161438105 GOBFJTMYJOPXMD-ZJOBFFGXSA-N 319.405 -0.353 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@H](OC)[C@@H]1CCOC1 1163359563 VQCIRVYCWIRTCF-TZMCWYRMSA-N 313.398 -0.564 30 20 DBED N#CCNCC1(CCNC(=O)C2CC3(C2)NC(=O)NC3=O)CC1 1167438648 ZDOJYZKSDRCLFF-UHFFFAOYSA-N 319.365 -0.626 30 20 DBED C=CCCNCCCC[C@@H](C)NC(=O)CNS(=O)(=O)NC 1171924094 LTNGDJOTJALYEM-GFCCVEGCSA-N 320.459 -0.119 30 20 DBED C=CCNC(=O)CNCCCC[C@@H](C)NC(=O)[C@@H]1CCC(=O)N1 1176247266 RXQCNEQHOWFTFB-OLZOCXBDSA-N 324.425 -0.168 30 20 DBED CC#CCN1CCO[C@@H]2CCN(C(=O)CNC(=O)OC)C[C@H]21 1176937941 QDBGYPRTMSWKFN-CHWSQXEVSA-N 309.366 -0.333 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H]2OCCN(CCOC)[C@@H]2C1 1176982552 FNJNJIDWHQSYEA-ZIAGYGMSSA-N 323.393 -0.926 30 20 DBED CC#CCN1CCO[C@H]2CCN(C(=O)CC(=O)NCC)C[C@@H]21 1176996044 ZXMBOWJCLCRUEB-KBPBESRZSA-N 307.394 -0.162 30 20 DBED CC(C)C(=O)N(C)CC(=O)N1CC[C@H]2OCCN(CC#N)[C@H]2C1 1177030398 NLUFQKKNSGXMLV-UONOGXRCSA-N 322.409 -0.074 30 20 DBED N#CCN1CCO[C@H]2CCN(C(=O)CCCn3cncn3)C[C@H]21 1177126421 ZFRGBSRUQKBFDK-KGLIPLIRSA-N 318.381 -0.116 30 20 DBED N#CCNC(=O)CNCCCNC(=O)CCCn1ccnc1 1177347845 PIUCHWXSLGFJKN-UHFFFAOYSA-N 306.370 -0.601 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2n[nH]cc2C)[C@H]1C 1178641782 XBLGEWXKEMGZFL-RYUDHWBXSA-N 303.366 -0.340 30 20 DBED C[C@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)Cc1cncs1 1178941174 TZNJXYMOJDYNLW-JQWIXIFHSA-N 321.406 -0.096 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)CCc2ccncn2)C1 1182911980 BLDGBTCEXDUYFP-CQSZACIVSA-N 317.393 -0.098 30 20 DBED C=C(Cl)CN[C@@H]1CCN(C(=O)CN(C)S(C)(=O)=O)C1 1182998906 JHDOFBHQHXWLNQ-SNVBAGLBSA-N 309.819 -0.179 30 20 DBED Cn1ccnc1CCC(=O)N1CC[C@@H](NCC(=O)NCC#N)C1 1184492731 YVGKMMDGBMJYCU-GFCCVEGCSA-N 318.381 -0.817 30 20 DBED CC(=O)N1C[C@@H](CNCC(=O)NCC#N)C2(CCOCC2)C1 1186213102 PINGHMAJSITFOM-CYBMUJFWSA-N 308.382 -0.509 30 20 DBED Cc1nccn1CC(=O)N1CC[C@@H](NCC(=O)NCC#N)C1 1187842855 QNFDTCJGOCKQDP-GFCCVEGCSA-N 304.354 -0.978 30 20 DBED C#CCCCC(=O)N[C@@H]1CN([C@@H]2CCN(CC=C)C2=O)C[C@H]1O 1192503765 KMKRTHWFZUEGFQ-RBSFLKMASA-N 319.405 -0.262 30 20 DBED C=CCCN(C)[C@H]1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)C1 1192631681 HUXVJAXEBKXZGN-LBPRGKRZSA-N 320.393 -0.194 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(CC[C@H]2CCCO2)C[C@H]1O 1192886200 NTRUQKQLVKBEDB-RBSFLKMASA-N 310.394 -0.243 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C2(CCC)CCC2)C1 1195492458 WDNOQYDZPZVOEZ-ZIAGYGMSSA-N 321.421 -0.133 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)Cn2ccccc2=O)C1 1198507149 ILIXBPKCJXDVBG-ZIAGYGMSSA-N 321.377 -0.788 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)c2cnon2)CCCO1 1201688964 WQDUONITZTWEDI-GFCCVEGCSA-N 308.338 -0.460 30 20 DBED Cn1nccc1C(=O)N1CCC[C@@H](NCC(=O)NCC#N)C1 1207586092 ROLGDFRHJKNEMH-LLVKDONJSA-N 304.354 -0.746 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@H]1CCCN(C(=O)c2cnnn2C)C1 1207958099 LVBZKKUBLRXCAU-NEPJUHHUSA-N 320.397 -0.300 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CCCN(C(=O)c2ncn(C)n2)C1 1207982685 DBHNVEXIJIKEEW-NWDGAFQWSA-N 320.397 -0.300 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2CCNC2=O)C1 1208941674 HMZVOKBTSWKNLK-NWDGAFQWSA-N 308.382 -0.995 30 20 DBED C#CCCN1C[C@@H](NC(=O)[C@@H](CCC(N)=O)NC(C)=O)[C@H](C)C1 1209529953 CVZLQFSDEZSRJX-MRVWCRGKSA-N 322.409 -0.784 30 20 DBED COCC#CCN1C[C@@H](NC(=O)CCn2cnnn2)[C@H](C)C1 1209723811 XCYVKTJFDRJWJN-CHWSQXEVSA-N 306.370 -0.851 30 20 DBED CC(C)[C@H](NS(C)(=O)=O)C(=O)N1CCC[C@@H](NCC#N)C1 1210017714 DULSRLAUMYSZHX-NEPJUHHUSA-N 316.427 -0.336 30 20 DBED CCn1nncc1C(=O)N[C@@H]1CN(CC#CCOC)C[C@H]1OC 1212216814 VVYWTIIXTZQCHH-TZMCWYRMSA-N 321.381 -0.623 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2cncn2C)C[C@H]1OC 1212261313 ZPQPNBQQSPHDJW-HUUCEWRRSA-N 320.393 -0.225 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2ncc[nH]2)C[C@H]1C 1214569193 SPNDMLFHUIOZHO-IJLUTSLNSA-N 303.366 -0.402 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H](F)CC 1218428942 JEVUKJVGMAQRKO-FRRDWIJNSA-N 313.373 -0.052 30 20 DBED COCCc1nc(CN2C[C@H](O)[C@H](NC(=O)[C@@H](C)C#N)C2)no1 1219381604 XFVUQPUZHANEKH-AXFHLTTASA-N 323.353 -0.921 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)CCn2cnccc2=O)C1 1220644880 ZGBUMGZCDLXGDK-OLZOCXBDSA-N 306.366 -0.629 30 20 DBED CCC1(C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@@H]2O)CCCC1 1220666370 TZLSXAIABCUXIB-OLZOCXBDSA-N 322.409 -0.242 30 20 DBED C=CCC[C@H](C)N1C[C@H](O)[C@H](NC(=O)c2ccc(=O)n(C)n2)C1 1220919957 KWQHLWBBSKBACD-YUTCNCBUSA-N 320.393 -0.090 30 20 DBED C#CCN1CCC(NC(=O)[C@H](Cc2cnc[nH]2)NC(C)=O)CC1 1228971693 UBILHUKWGWSBQX-HNNXBMFYSA-N 317.393 -0.329 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC[C@H]1CN(CC)CCS1(=O)=O 1230455005 KKDFRGVDMJQQAX-GXTWGEPZSA-N 318.439 -0.061 30 20 DBED C=C(C)CN1CCC(NC(=O)C(=O)N[C@H]2CC(=O)N(C)C2)CC1 1258267069 PMTOAYZKLZXCBY-ZDUSSCGKSA-N 322.409 -0.510 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N1CC[C@H](N2CCOC2=O)C1 1261710584 CUBVSMLAQXIASM-QWRGUYRKSA-N 311.338 -0.643 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCC(F)CC1 1262135372 VIZMEZFIBIFSLP-UHFFFAOYSA-N 306.359 -0.336 30 20 DBED C=CCCn1cc(C(=O)N[C@H]2CCN(C[C@@H](O)COC)C2)nn1 1266347501 PPODSPBVHUEANX-QWHCGFSZSA-N 323.397 -0.334 30 20 DBED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(C(=O)NC)cc1 1319985522 XTRUXJPERRLLNR-UHFFFAOYSA-N 318.333 -0.597 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N[C@H]1CCOC[C@H]1OCC 1323723727 KKCVLKWDNVPNBA-GRYCIOLGSA-N 300.355 -0.386 30 20 DBED C#CCOCCN(C)[C@H](C)C(=O)N[C@H]1CCS(=O)(=O)C1 1324516457 OLSNKIDDNUMWSG-NEPJUHHUSA-N 302.396 -0.740 30 20 DBED CCCc1cnc(NC(=O)C(=O)NCC(=O)NCC#N)s1 1324974114 UMEOVUPJZHAMLG-UHFFFAOYSA-N 309.351 -0.210 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)NCCCc1cnn(C)c1 1326377580 LBYABCFCLFIQLQ-UHFFFAOYSA-N 300.362 -0.046 30 20 DBED N#CCCCCNC(=O)C(=O)NCc1nnnn1CC1CC1 1326457489 YSQWONVQVFKGBC-UHFFFAOYSA-N 305.342 -0.491 30 20 DBED C=C(C)CN(CC)C(=O)C(=O)N1CCN(CC(=O)N(C)C)CC1 1326826677 JAFLATITPBADEV-UHFFFAOYSA-N 324.425 -0.357 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N1CCN(C(=O)OC)CC1 1327176254 KJISEOFKRHWQIR-UHFFFAOYSA-N 313.354 -0.442 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CC([C@H]3CCOC3)C2)nn1 1329222485 LVRFZRKZRHSXFF-NSHDSACASA-N 319.365 -0.425 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N1CCCC[C@@H]1CNC(C)=O 1330731576 NVPXYGFOXRPOOV-QWHCGFSZSA-N 311.382 -0.179 30 20 DBED C#CCSCCn1nnnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1337201416 HRDVVAUITYCKLT-MNOVXSKESA-N 322.394 -0.026 30 20 DBED C=CCC1(O)CCN(C(=O)C(=O)N2CC[C@@H](CNC)C2)CC1 1337601786 LHFZVTFWEDMLCV-ZDUSSCGKSA-N 309.410 -0.016 30 20 DBED C=CC[C@H](NC(=O)CN1CCS(=O)(=O)CC1)C(=O)OCC 1337796157 RHFONCJDVDLGRN-NSHDSACASA-N 318.395 -0.659 30 20 DBED N#CCNC(=O)CNC(=O)N1CCOCC2(CCOCC2)C1 1346656368 BMNGWGNBBHTLLM-UHFFFAOYSA-N 310.354 -0.535 30 20 DBED CO[C@@H](C)CNC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N 1346881025 CVYNBNKMIXVBLX-VIFPVBQESA-N 322.369 -0.594 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N(C)Cc2ccon2)nn1 1349046405 UAWORGVNXLLGCL-UHFFFAOYSA-N 304.310 -0.273 30 20 DBED CC#CC[C@@H](CO)NC(=O)NCCN1CCC2(C1)OCCO2 1349066629 RPUFZLYBCSDXIO-ZDUSSCGKSA-N 311.382 -0.491 30 20 DBED CN(C)[C@@H]1CCCN(C(=O)Cn2cc(C#N)c(O)nc2=O)C1 1362221928 RCBUQRPTSCWTMM-LLVKDONJSA-N 305.338 -0.627 30 20 DBED CCN(C[C@H](C)C#N)C(=O)Cn1c(=O)c(C#N)c(C)n(C)c1=O 1364309368 MVCFAKSRRDIEAZ-SNVBAGLBSA-N 317.349 -0.265 30 20 DBED Cc1c[nH]ccc1=NC(=O)NCCn1cc(C#N)c(O)nc1=O 1365043697 PVPSHXRJQNTXCF-UHFFFAOYSA-N 314.305 -0.232 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N2CC[C@@H](c3nc[nH]n3)C2)CCO1 1365725657 VSBXRGBOZHSTDS-NXEZZACHSA-N 312.355 -0.937 30 20 DBED CC(=O)NCC(=O)N1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)C[C@H]1C 1370860315 RTFNRPKCMSVLQL-SKDRFNHKSA-N 317.349 -0.258 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CN(C)C(=O)CCc1ccnn1C 1371010512 YNVVABXXRKIYQY-WCQYABFASA-N 321.381 -0.552 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)[C@H]2CCC(=O)N2)CCCC1 1390730756 WIKJVALSIRAJAJ-WDEREUQCSA-N 306.366 -0.030 30 20 DBED CC1CCN(CC(=O)NC[C@H](O)CNC(=O)[C@@H](C)C#N)CC1 1392161209 LPLSSDJKMNESNA-STQMWFEESA-N 310.398 -0.529 30 20 DBED Cc1nn[nH]c1C(=O)N[C@@H](C)CNC(=O)c1c[nH]c(C#N)c1 1392984377 IZXYZJKOOFRZPQ-ZETCQYMHSA-N 301.310 -0.139 30 20 DBED C=C(Br)CNC[C@H](O)CNC(=O)Cc1nc[nH]n1 1406270357 BWHZASUZVSYMJB-QMMMGPOBSA-N 318.175 -0.678 30 20 DBED CC(=O)N1CC(C(=O)NC[C@@H](C)NC(=O)c2cc(C#N)c[nH]2)C1 1410197725 XMQYSHBBWAEHOQ-SECBINFHSA-N 317.349 -0.401 30 20 DBED COCCN(CCNC(=O)c1ccncn1)C(=O)[C@H](C)C#N 1413531987 ZDGFDVFMXUGPRH-LLVKDONJSA-N 305.338 -0.159 30 20 DBED CC(=O)NCC(=O)N[C@H]1CC12CCN(C(=O)[C@H](C)C#N)CC2 1414810126 ROMNSOFGVJVPQZ-PWSUYJOCSA-N 306.366 -0.221 30 20 DBED COCCn1cc(C(=O)N[C@H](C)CNC(=O)[C@@H](C)C#N)nn1 1415260391 WMWVFZXSBADXHM-VHSXEESVSA-N 308.342 -0.681 30 20 DBED C=C(Cl)CNC[C@@H](O)CNC(=O)c1cn(C)nc1COC 1422347109 KSPFMGPICAFHMD-SNVBAGLBSA-N 316.789 -0.001 30 20 DBED COC[C@@H](C)C(=O)NC[C@@H](O)CNC(=O)c1cc(C#N)c[nH]1 1457943053 OEUBZTDNZZJJIT-MWLCHTKSSA-N 308.338 -0.624 30 20 DBED CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1CCC(=O)NC 1460544171 ORYGCVFOZGYYDZ-NSHDSACASA-N 322.369 -0.321 30 20 DBED N#Cc1cn(CCNC(=O)Cc2cncs2)c(=O)nc1O 1470360814 KEPMBIQKLXPTSI-UHFFFAOYSA-N 305.319 -0.364 30 20 DBED CC(C)CN1CCN(c2[nH]c(=O)n(C)c(=O)c2C#N)[C@@H](C)C1=O 1472764475 ZDTFUVUKWUBUQP-JTQLQIEISA-N 319.365 -0.362 30 20 DBED COCC#CCN[C@@H](C)CCNC(=O)CCc1cnn(C)n1 1480793059 XRKLYAMHNMNEMZ-ZDUSSCGKSA-N 307.398 -0.118 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(Cc2nc(C(F)F)no2)C1 1500806236 LFSXKUDVURNNEB-ZETCQYMHSA-N 315.280 -0.170 30 20 DBED CCN(CCNC(=O)[C@@H](C)C#N)C(=O)CN1CCC(=O)NC1=O 1529069605 QHSLMYKDIORKSS-JTQLQIEISA-N 323.353 -0.947 30 20 DBED CCc1noc(COCC(=O)NC2CN(C(=O)[C@H](C)C#N)C2)n1 1530660355 PFCCHZUXZJRNNH-SECBINFHSA-N 321.337 -0.365 30 20 DBED C=C(C)C(C)(C)C(=O)N(C)C[C@H](O)CNC(=O)CNC(=O)O 1573321561 OUFWKRHSZYWKTL-SNVBAGLBSA-N 315.370 -0.208 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCN(C)c1ccc(-c2nn[nH]n2)nn1 1573561115 ISFKVUMYVTWGDW-VIFPVBQESA-N 315.341 -0.289 30 20 DBED C=CCOC[C@H](NC(=O)C1CC2(CNC[C@@H]2C#N)C1)C(=O)OC 1574944223 ZWDONRFSPZPZHC-BTJONVMOSA-N 321.377 -0.014 30 20 DBED C#C[C@@H](CO)NS(=O)(=O)c1ccc(OCCC(=O)O)cc1 1588370833 OJWDYXGPAQSRIB-JTQLQIEISA-N 313.331 -0.188 30 20 DBED C=CCOC[C@@H](NC(=O)Cc1nnc(NC)s1)C(=O)O 1588856136 CZBDEETWHLMPDU-SSDOTTSWSA-N 300.340 -0.106 30 20 DBED N#Cc1cn(CC(=O)O)c(=O)n(C[C@@H]2CC[C@@H](C3CC3)O2)c1=O 1594632839 DSFBVHLGRJTOBN-RYUDHWBXSA-N 319.317 -0.076 30 20 DBED CS(=O)(=O)[C@H]1C[C@]1(CNCc1nc(C#N)cs1)C(=O)O 1599763874 WBVPIYOSGDXOLE-GZMMTYOYSA-N 315.376 -0.008 30 20 DBED C=CC[C@H](OC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)C(=O)O 1602844438 BSKHHOOZIIIJIR-VZSYODPGSA-N 323.301 -0.279 30 20 DBED C=CCOCn1c(=O)c(-c2nn[nH]n2)c(C)n(C2CC2)c1=O 1602871451 UETSVLQRQVGCET-UHFFFAOYSA-N 304.310 -0.006 30 20 DBED C=CCOC[C@@H](NC(=O)CS(=O)(=O)NC(C)(C)C)C(=O)O 1602908838 GVGJZBFCUUIYEC-SECBINFHSA-N 322.383 -0.524 30 20 DBED C=CCS(=O)(=O)CCNC(=O)CC[C@@H]1C[C@H](C(=O)O)CO1 1602925165 TYTXFNOLTFFQNZ-WDEREUQCSA-N 319.379 -0.027 30 20 DBED C[C@@H]1CCN(c2cnc(C#N)c(-c3nn[nH]n3)n2)C[C@H]1CO 1603908565 DUMOWEHBTXJDTC-BDAKNGLRSA-N 300.326 -0.017 30 20 DBED N#CCC(=O)N1CCN(c2cnc(C#N)c(-c3nn[nH]n3)n2)CC1 1606345373 IPWBRBXHDLHSMQ-UHFFFAOYSA-N 324.308 -0.909 30 20 DBED C[C@H](NC(=O)C(N)=O)C1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 1721248650 RZONRMQTQBOHMQ-VIFPVBQESA-N 317.349 -0.271 30 20 DBED C#CCNC(=O)CN[C@H](CNC(=O)[C@]1(C)CCOC1)C1CC1 1752489439 DWSBHTJVZSKKNN-CZUORRHYSA-N 307.394 -0.353 30 20 DBED C=CCCNC[C@H]1CCCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 1752808284 YFJFUNGGQNPRIR-NEPJUHHUSA-N 308.382 -0.011 30 20 DBED C#CCNC(=O)CN[C@H](C)CNC(=O)CCc1cnn(C)c1 1752921075 LLPIBZKEBCABJM-GFCCVEGCSA-N 305.382 -0.804 30 20 DBED N#CCNC(=O)CN(CCNC(=O)[C@@H]1CC1(F)F)C1CC1 1753153507 VXWBRTMTNOLUBQ-JTQLQIEISA-N 300.309 -0.138 30 20 DBED C#CCNC(=O)[C@H](C)N1CC(NC(=O)C2(CCOC)CC2)C1 1753378782 WFYIIQDUTQMBOI-LBPRGKRZSA-N 307.394 -0.259 30 20 DBED C#CCNC(=O)CN1CC(CNC(=O)C[C@@H]2CCN(C)C2)C1 1753414095 ZCUYETAMLFVEMG-ZDUSSCGKSA-N 306.410 -0.874 30 20 DBED C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCS(=O)(=O)N1 1753427261 FHJGKFJPCOGBTL-RWMBFGLXSA-N 313.423 -0.071 30 20 DBED C=CCNC(=O)[C@H](C)N[C@H](CNC(=O)c1nc[nH]n1)C(C)C 1753839570 NBKAJDHGVMCULC-WDEREUQCSA-N 308.386 -0.161 30 20 DBED CC#CCN1CC[C@](C)(NC(=O)[C@H](C)NS(=O)(=O)CC)C1 1754673854 IAMKOEALDAMQHP-JSGCOSHPSA-N 315.439 -0.082 30 20 DBED N#CCNC(=O)CN1CC[C@@](O)(CNC(=O)CCC(F)F)C1 1754756759 VDPAHSHXUHLDCA-CYBMUJFWSA-N 318.324 -0.776 30 20 DBED CC#CCN1CC(O)(CNC(=O)CCc2cc(OC)no2)C1 1754768360 KHGABROCOCTEKH-UHFFFAOYSA-N 307.350 -0.198 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC(O)(CNC(=O)c2c[nH]nc2C)C1 1754772050 VJSOJFZWSXZBLI-LLVKDONJSA-N 321.381 -0.815 30 20 DBED CC[C@H](F)C(=O)N[C@]1(CO)CCCN(CC(=O)NCC#N)C1 1754858335 YQQMRXZVSKTXCU-SMDDNHRTSA-N 314.361 -0.683 30 20 DBED C=CCNC(=O)CNC1(C)CCN(C(=O)c2cn(C)nn2)CC1 1755127177 DTNFFKHVSYOMMZ-UHFFFAOYSA-N 320.397 -0.298 30 20 DBED C#CCN(C)C[C@H]1CCCN1C(=O)CCn1cc[nH]c(=O)c1=O 1755210001 MIRYTKRXBXGQEV-CYBMUJFWSA-N 318.377 -0.517 30 20 DBED C#CCNC(=O)CN1CC([C@H](C)NC(=O)c2csc(O)n2)C1 1755383348 HWYZGABLTYFJNR-VIFPVBQESA-N 322.390 -0.352 30 20 DBED CN(C(=O)CCCS(N)(=O)=O)[C@H](CNCC#N)C1CC1 1755566654 YGARTYWPVALXDS-LLVKDONJSA-N 302.400 -0.595 30 20 DBED CC#CCN1CCC[C@@H](NC(=O)CNC(=O)CNC(C)=O)[C@@H]1C 1755715591 AYPHONAVPUVVQC-GXTWGEPZSA-N 322.409 -0.769 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@H](O)CN(C)C(=O)/C=C(/C)C1CC1 1755773988 YJZNKWNAZWPVFY-DGUGNXMESA-N 321.421 -0.111 30 20 DBED CC(C)C#CC(=O)NC[C@@H](CO)NC(=O)[C@@]12CCCN(CC1)C2 1756516843 AALHANPSOKNKMI-YOEHRIQHSA-N 321.421 -0.275 30 20 DBED CN(C[C@@H](O)CN(C)C(=O)CSCC#N)C(=O)C#CC1CC1 1756683974 QATNFHVONQLTOE-CYBMUJFWSA-N 323.418 -0.066 30 20 DBED C[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3CC3)[C@H]2C1 1784387343 XXXGBGFOPMGKBG-MXAVVETBSA-N 320.389 -0.240 30 20 DBED C=CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)CNC(C)=O)C2 1841611119 VTFDHHQZGMOBAL-GFCCVEGCSA-N 323.393 -0.083 30 20 DBED C#CCCC(=O)N1CC2(CCCN2C(=O)[C@@H]2CCC(=O)N2)C1 1842738123 NNPOZRDZGRJZSR-LBPRGKRZSA-N 303.362 -0.118 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN(C)C 1847803143 ROOYHZVQCRJXBY-RDBSUJKOSA-N 307.394 -0.212 30 20 DBED CCN(C[C@H](C)C#N)C(=O)CN1CCN(C(=O)COC)CC1 77044398 HYKVZDUWOBDRIN-CYBMUJFWSA-N 310.398 -0.215 30 20 DBED COC(=O)[C@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(C#N)s1 230372041 NLLIXVGCQNSJGU-VXNVDRBHSA-N 316.360 -0.083 30 20 DBED CC/N=C(/NC[C@@H]1COCCO1)N1CCO[C@H](COC)C1 261981180 RKYXVDSHZLXGSF-OLZOCXBDSA-N 301.387 -0.286 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H]2CCO[C@H](C)C2)C1=O 271436907 GPMJXBPSQKJYSV-GHMZBOCLSA-N 323.349 -0.106 30 20 DBED COC(=O)C[C@H](NS(=O)(=O)N(C)C[C@@H](C)C#N)C(=O)OC 282922217 SSKSXSZEWXQNRG-IUCAKERBSA-N 321.355 -0.983 30 20 DBED COCCN(C)C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 289617503 OPWUWZBHNZNOSO-UHFFFAOYSA-N 311.363 -0.059 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CCSCC2)C1=O 297884514 PBOTVCBGNJZLHF-NSHDSACASA-N 311.407 -0.193 30 20 DBED OC1=NCCN(CC/N=C(/O)N2CCN3C(O)=NC[C@H]3C2)C1 329275500 BPMTWFVFZSILBM-JTQLQIEISA-N 310.358 -0.914 30 20 DBED CNS(=O)(=O)c1cc(/C(O)=N/[C@@H]2CC(=O)N(C)C2)co1 330468825 YWEMVNPLLOYUSI-MRVPVSSYSA-N 301.324 -0.277 30 20 DBED CN(CC(C)(C)CN1CCOCC1)C(=O)Cn1cnc(C#N)n1 332546691 GVHDGLWLSRBPNK-UHFFFAOYSA-N 320.397 -0.033 30 20 DBED CCN(CC)CCCNS(=O)(=O)N1CCO[C@@H](C#N)C1 336908532 GNMJOEJKAXYNJH-LBPRGKRZSA-N 304.416 -0.223 30 20 DBED C=CCOC[C@@H](NC(=O)C(C)(C)N1CCOCC1)C(=O)OC 338280647 NIVZJTFRXVLYKY-GFCCVEGCSA-N 314.382 -0.042 30 20 DBED Cn1c(=O)n(C)c2nc(NC(=O)CCC(=O)NCC#N)ccc21 339925066 KEUHNRUGTFOYLH-UHFFFAOYSA-N 316.321 -0.370 30 20 DBED Cn1ncc(C(=O)NCc2ccccc2S(N)(=O)=O)c1C#N 345804651 IXOVOOICLGPEJF-UHFFFAOYSA-N 319.346 -0.131 30 20 DBED CNS(=O)(=O)c1ccc(C(=O)N[C@](C)(C#N)COC)o1 353443339 WUMSFPIKGQDNDU-LLVKDONJSA-N 301.324 -0.154 30 20 DBED C=C[C@@H](CO)NC(=O)CNS(=O)(=O)c1c(F)cccc1F 356851850 VCTUPCXYKMQJKY-QMMMGPOBSA-N 320.317 -0.094 30 20 DBED Cn1nccc1N1CCC[C@H](NC(=O)NCC(=O)NCC#N)C1 358293885 MRAHHNKZTOUHIW-NSHDSACASA-N 319.369 -0.672 30 20 DBED C=CCOC[C@H](NC(=O)N1CCS(=O)(=O)CC1)C(=O)OC 360604832 NIHZLKYGOQVFRJ-JTQLQIEISA-N 320.367 -0.829 30 20 DBED CO[C@@H]1CN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C[C@H]1O 451757874 ISQGYWNTOLNCCE-RRFJBIMHSA-N 324.425 -0.630 30 20 DBED C=CCC[C@@H](NC(=O)CN1CCN(C)C(=O)C1)C(=O)OCC 456605799 KYUULNPJHXNIDI-GFCCVEGCSA-N 311.382 -0.226 30 20 DBED C#CCN(CC#CC)C(=O)C1=CC=CN2CCS(=O)(=O)N=C12 490680359 ZLMDSDKKBCYHSD-UHFFFAOYSA-N 317.370 -0.031 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)C[C@@H]2CCCCO2)CC1 491220509 OCKFMSPLQMHXIS-AWEZNQCLSA-N 307.394 -0.161 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N2CC[C@H](CCCO)C2)CCO1 571537396 IDSCOBIFSUYLDX-NWDGAFQWSA-N 303.384 -0.450 30 20 DBED C[C@H](CC(N)=O)NC(=O)CNS(=O)(=O)c1cccc(C#N)c1 589430382 BYOZATPGDNZMCK-SECBINFHSA-N 324.362 -0.783 30 20 DBED CC#CC[C@@H](CO)NS(=O)(=O)c1cnn([C@@H]2CCOC2)c1 645884149 WNECCWYVEISEKW-NWDGAFQWSA-N 313.379 -0.103 30 20 DBED C=C(Cn1c(=O)c(-c2nn[nH]n2)cn(CC)c1=O)C(=O)OCC 735402567 XHOXFUMKOJLXOA-UHFFFAOYSA-N 320.309 -0.671 30 20 DBED C#CCNC(=O)C1CCN(CCC(=O)N(C)CC(=O)O)CC1 736078647 CXFPMTFFEYJHRB-UHFFFAOYSA-N 309.366 -0.619 30 20 DBED N#Cc1cccc(S(=O)(=O)NCC(=O)O[C@@H]2CCOC2=O)c1 769825111 PGXUHVULJTZOHA-LLVKDONJSA-N 324.314 -0.305 30 20 DBED CCS(=O)(=O)CCN(C)S(=O)(=O)N(C)[C@H](C)CC#N 800925953 JQGKAWQNGLFFEB-SNVBAGLBSA-N 311.429 -0.168 30 20 DBED C#CCCCNC(=O)C(=O)N1CCN(c2cnn(C)c2)CC1 806908945 SWHDRGXWRLTWRI-UHFFFAOYSA-N 303.366 -0.402 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCC(O)(COC)CC1)[C@H]1CCCO1 809311842 WJEMDPYMBDNYLJ-QWHCGFSZSA-N 324.377 -0.717 30 20 DBED Cn1c2c(ccc1=O)C(=NNC(=S)NCC(N)=O)CCC2 814845210 UQFHUWMADMQCJW-UHFFFAOYSA-N 307.379 -0.625 30 20 DBED C#CC[C@H](CO)NC(=O)c1cc(S(=O)(=O)N(C)C)oc1C 820064775 LTGNDJWXJHXKMK-SNVBAGLBSA-N 314.363 -0.048 30 20 DBED C=CCN1CCN(CN2CC[C@@H](S(=O)(=O)NCC)C2)C1=O 840043446 QKNUCRLAHDTDOR-GFCCVEGCSA-N 316.427 -0.119 30 20 DBED COC(=O)CCN1CC[C@@H](OC(=O)CSCC#N)C1=O 849681218 OKBREXUINUWHQK-SECBINFHSA-N 300.336 -0.050 30 20 DBED CON1CCN(C(=O)CNC(=O)c2ccc(C#N)cc2)CC1 854858918 TZJSPKBLYXQJQT-UHFFFAOYSA-N 302.334 -0.006 30 20 DBED CN(CCOCCN)C(=O)NCCNc1ccc(C#N)cn1 861556361 KBVZBAQDQAMPMT-UHFFFAOYSA-N 306.370 -0.018 30 20 DBED C#CCN1CCC[C@H](NS(=O)(=O)C[C@@H](COC)OC)C1 885509220 PZIRLIOTEKDOJM-QWHCGFSZSA-N 304.412 -0.335 30 20 DBED C#CC1(O)CN(C(=O)N[C@H]2CCC[C@H](S(C)(=O)=O)C2)C1 893150591 NIAMLRXMZUPRSU-QWRGUYRKSA-N 300.380 -0.268 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC(NS(=O)(=O)CC)CC1 903005131 SDZMGHLVRYDEKI-LLVKDONJSA-N 301.412 -0.472 30 20 DBED C#CCCN1CC[C@H](NC(=O)Cn2c(O)nnc2O)C[C@@H]1C 947979080 AFDZHUSYDADFPW-QWRGUYRKSA-N 307.354 -0.318 30 20 DBED Cn1cnc(C(=O)N2CCC3(CC2)CN(CC#N)CCO3)n1 949358238 JYTDNXLGOBUMBH-UHFFFAOYSA-N 304.354 -0.354 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)[C@H](O)C(C)C 950755550 OQLDERLGFZPPLN-SOUVJXGZSA-N 321.421 -0.182 30 20 DBED C[C@@H](C#N)C(=O)N1CC(N(C)C(=O)[C@H]2CCCN(C(N)=O)C2)C1 954755788 UCTDAQLOWBWLQH-QWRGUYRKSA-N 321.381 -0.394 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)C(N)=O)[C@@H](C)C2)cn1 955795618 LDJHWXMLCZVPPH-GWCFXTLKSA-N 314.345 -0.343 30 20 DBED C=CCn1cc(C(=O)N[C@@]2(C)CCN(C(=O)CC(N)=O)C2)nn1 956927456 DKXCTDBZYSZBDO-AWEZNQCLSA-N 320.353 -0.940 30 20 DBED CC#CCN1C[C@@H](O)[C@H](CNC(=O)c2cn(CC3CC3)nn2)C1 958525803 KEIZMOVXKFGVJA-UKRRQHHQSA-N 317.393 -0.266 30 20 DBED C[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1CNC(=O)c1nnn(C)n1 959466319 FATHKXNLIOEJIO-JQWIXIFHSA-N 316.365 -0.552 30 20 DBED C=CCCN1C[C@H]2C(NC(=O)Cn3ccc(O)nc3=O)[C@@H]2C1 960867583 SRHARYXVRTYIGL-GHMZBOCLSA-N 304.350 -0.429 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)CCn3cnnn3)C[C@@H]2C1 962209002 UUGMFQAXKPQOSO-SDDRHHMPSA-N 317.353 -0.860 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)c2ccc(F)cn2)C1 962411292 RKKYMSHSZWVZRE-AXTRIDKLSA-N 306.297 -0.318 30 20 DBED N#CCN1C[C@@H]2C(NC(=O)c3cc4c(O)ncnc4cn3)[C@H]2C1 962442801 SGLYNFJFXIKRKJ-UWVGGRQHSA-N 310.317 -0.086 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H]2CN(C(=O)Cn3cnnn3)C[C@H]21 963826684 RDBFHQUODVICIL-SDDRHHMPSA-N 317.353 -0.718 30 20 DBED C[C@H](C#N)C(=O)N1CC2(C[C@H](NC(=O)c3cnsn3)CO2)C1 965637893 KQDDFIRIDDENDX-BDAKNGLRSA-N 321.362 -0.203 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(C[C@H](NC(=O)c3ccn(C)n3)CO2)C1 965710593 QTBJYUAGDNCXJG-QWRGUYRKSA-N 317.349 -0.321 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(C[C@H](NC(=O)c3cnn(C)n3)CO2)C1 965742291 HWCBFRIHLQKWCP-UWVGGRQHSA-N 318.337 -0.926 30 20 DBED C=C(Br)CN[C@@H]1CCN(C(=O)Cn2ncnn2)C1 968673254 TVXPTUDTHLBTCA-SECBINFHSA-N 315.175 -0.228 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H](N(C)C(=O)C(N)=O)C1 984349658 IRXYODVMTWYVMS-OLZOCXBDSA-N 320.393 -0.981 30 20 DBED C#Cc1ccc(C(=O)N2CC(NC(=O)[C@@H]3COCCO3)C2)nc1 990280983 DCANECCDLUSCES-AWEZNQCLSA-N 315.329 -0.581 30 20 DBED N#Cc1c[nH]c(C(=O)NC2CN(C(=O)[C@H]3CCCC(=O)N3)C2)c1 990711519 SMXAEFXLGHTFOQ-LLVKDONJSA-N 315.333 -0.504 30 20 DBED N#CCN1CC[C@@]2(NC(=O)CN3CCOCC3=O)CCC[C@H]12 991067769 MXJWFYQQHQHEGC-WFASDCNBSA-N 306.366 -0.518 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CN(C(=O)Cn3cnnn3)C[C@@]2(C)C1 993344502 NEEDDAUFIYUJFK-GYSYKLTISA-N 317.353 -0.860 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)Cc3cnn(C)c3)C2)cn1 997090874 SRWAQKSRVVINBZ-UHFFFAOYSA-N 323.356 -0.020 30 20 DBED C#CCN1CC[C@H](n2cc(CNC(=O)c3cnn[nH]3)nn2)C1 1000003260 ODRHOVRQHXKVBD-NSHDSACASA-N 300.326 -0.794 30 20 DBED C=C[C@](C)(CC)C(=O)N1CC(CNC(=O)[C@@H]2CNC(=O)N2)C1 1003948830 YAADLFLBLAGTNL-XHDPSFHLSA-N 308.382 -0.155 30 20 DBED C#CCCN1CC[C@@H](NC(=O)[C@@H]2CCc3nnnn3CC2)C1 1015731132 KFDSAWVXOKZWAA-CHWSQXEVSA-N 302.382 -0.161 30 20 DBED C#CCCN1CCC2(CC1)C[C@H]2NC(=O)C[C@@H]1NC(=O)NC1=O 1016665110 WKUDLDJPIMKYTD-NWDGAFQWSA-N 318.377 -0.422 30 20 DBED C[C@H]1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)CN1C(=O)CC(N)=O 1018088181 MWMIBFJRGTXVSE-GXSJLCMTSA-N 317.349 -0.129 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H]2C[C@@H](NCc3nc(O)n[nH]3)C2)c1 1021945866 DTMAWLIPTZFVCN-DTORHVGOSA-N 301.310 -0.239 30 20 DBED Cc1nnccc1C(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1024865517 BEHAWTHLBPLTCA-ZIAGYGMSSA-N 314.345 -0.500 30 20 DBED Cc1cc(=O)c(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2O)c[nH]1 1025456061 GVXBYTVJDYMGOE-RLCGTCKNSA-N 318.333 -0.856 30 20 DBED CN(CC#N)[C@H]1CCCN(C(=O)[C@@H]2CCN(C)S2(=O)=O)C1 1027612688 OCEVZRCSUQIAQR-RYUDHWBXSA-N 314.411 -0.533 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)C3=COCCO3)C2)C1=O 1030075865 VUAYFXKZAKMMLX-GFCCVEGCSA-N 307.350 -0.538 30 20 DBED C=CCCn1cc(C(=O)NCC2CN(CC(=O)NC)C2)nn1 1032041356 KLHXTGYHUUCWKE-UHFFFAOYSA-N 306.370 -0.738 30 20 DBED C=C(Cl)CN1CC(CNC(=O)[C@@H]2CCS(=O)(=O)N2)C1 1032192555 LCJKAFAIQYPJMW-JTQLQIEISA-N 307.803 -0.521 30 20 DBED CN(C(=O)CN1CCCCS1(=O)=O)[C@@H]1CCN(CC#N)C1 1033270702 GDPCUUISZFDJJG-GFCCVEGCSA-N 314.411 -0.532 30 20 DBED N#Cc1cc(C(=O)NC[C@@H]2CN([C@@H]3CCNC3=O)CCO2)c[nH]1 1035337435 VLILNUVBFSZWKX-CHWSQXEVSA-N 317.349 -0.795 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2CN(C[C@H](C)O)CCO2)cn1 1035586541 QXZQKBQPJQCYGC-WFASDCNBSA-N 303.362 -0.126 30 20 DBED C#CCN[C@@H]1CCN(C(=O)Cn2ccc(O)nc2=O)C[C@H]1C 1036097794 DDFPJYSHLDWCNN-VXGBXAGGSA-N 304.350 -0.591 30 20 DBED N#CCN1CC[C@@H]2CN(C(=O)CN3CCOCC3=O)CC[C@H]21 1036739339 XDXOKBYIDQGIGL-CHWSQXEVSA-N 306.366 -0.708 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)Cn3c(O)nnc3O)CC[C@@H]21 1036879668 RYUHFCPRBGFZSU-MNOVXSKESA-N 305.338 -0.755 30 20 DBED C#CCCCC(=O)NC[C@]1(O)CCN(C(=O)c2cnon2)C1 1039572622 AHKNCLZRRDLSIF-CQSZACIVSA-N 306.322 -0.434 30 20 DBED C=CCOCC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2CC2(F)F)C1 1039649734 FMJKHAUJIWGHLR-GXFFZTMASA-N 318.320 -0.076 30 20 DBED C#CCOCCC(=O)NC[C@]1(O)CCN(C(=O)c2cn[nH]c2)C1 1039719041 MBVYNFURWKNLOD-OAHLLOKOSA-N 320.349 -0.857 30 20 DBED Cn1cc(C(=O)N[C@@H]2CN(c3ccc(C#N)nc3)C[C@H]2O)cn1 1040938163 DGHDXAZMBWDSAS-ZIAGYGMSSA-N 312.333 -0.334 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)[C@H](C)OCC)C1 1041638234 RIDWSJNZAFYGSS-LBPRGKRZSA-N 312.366 -0.859 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)CS(=O)(=O)CC)C1 1041969045 APTPQNGGDCITEY-UHFFFAOYSA-N 318.395 -0.923 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)c2cnc(C)cn2)C1 1042803389 YBHGTZFZSLKPNX-UHFFFAOYSA-N 316.361 -0.108 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(O)CN(C(=O)c2cocn2)C1 1042807605 WUZFEJYYYAWUFG-CYBMUJFWSA-N 309.322 -0.695 30 20 DBED Cc1n[nH]cc1C(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042965135 VTLFDZPKBRUYGO-UHFFFAOYSA-N 302.334 -0.565 30 20 DBED Cc1cn(C)nc1C(=O)NCC1(O)CN(C(=O)C#CC(C)C)C1 1042984318 WDYZDVHYQCPHBZ-UHFFFAOYSA-N 318.377 -0.309 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)C(C)(F)F)C1 1043032849 KCBIQPLRVQZYQQ-UHFFFAOYSA-N 304.293 -0.629 30 20 DBED CCc1nnsc1C(=O)NCC1(O)CN(C(=O)[C@@H](C)C#N)C1 1043760865 OWRPRFQBVKDHSM-QMMMGPOBSA-N 323.378 -0.437 30 20 DBED CO[C@H](C(=O)NCC1(O)CN(C(=O)[C@@H](C)C#N)C1)C1CCC1 1044089393 QWIYHBIBUVVXFA-JQWIXIFHSA-N 309.366 -0.349 30 20 DBED C=C[C@@H](CC)CC(=O)NCC1(O)CN(C(=O)CC(=O)NC)C1 1045064641 WSYMHAZHVFLOOB-NSHDSACASA-N 311.382 -0.586 30 20 DBED CCc1oncc1C(=O)N1CC(O)(CNC(=O)[C@@H](C)C#N)C1 1045555667 UDLRSECSNDJVEZ-VIFPVBQESA-N 306.322 -0.300 30 20 DBED C#CCN1CC[C@@H](N2CCN(C(=O)C3(C(N)=O)CC3)CC2)C1 1046058769 SJSNDCOIENUZSF-CYBMUJFWSA-N 304.394 -0.896 30 20 DBED CC#CCN1C[C@H]2C[C@H](NC(=O)CN3C(=O)CNC3=O)C[C@H]1C2 1047198296 ZJTNTOUFNXCKDA-RWMBFGLXSA-N 318.377 -0.469 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CN(C[C@@H](O)Cn3cccn3)C[C@@H]2C1 1048725978 YAOKWDCMQVNCIS-BYNSBNAKSA-N 317.393 -0.206 30 20 DBED Cc1cc(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)C#N)C2)on1 1049388761 QJUXRWCVHRXJHJ-MIMYLULJSA-N 306.322 -0.214 30 20 DBED CC#CCN1CCOC[C@@H]1CNC(=O)c1ccnc2[nH]nnc12 1051018870 XVYBOWFPMJJCFP-NSHDSACASA-N 314.349 -0.193 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)[C@@H]1CN(C(C)C)CCO1 1051082348 YWEOEEZCQUAROY-CABCVRRESA-N 309.410 -0.454 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1cncn1C 1051122020 ZWHWSBBMBNRIJK-MGPQQGTHSA-N 302.378 -0.026 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)c1ccc2oc(O)nc2n1 1051207709 VBVQFZDMORGJKG-SNVBAGLBSA-N 316.317 -0.008 30 20 DBED COCCn1cc(C(=O)N2CCOC3(CN(CC#N)C3)C2)cn1 1053521026 XHWNOMQIWJCVSK-UHFFFAOYSA-N 319.365 -0.420 30 20 DBED C=CCN1CC2(C[C@@H](NC(=O)[C@H]3CN(CC)CCO3)CO2)C1 1054013932 DPNWQGBGBCNBNJ-ZIAGYGMSSA-N 309.410 -0.147 30 20 DBED N#Cc1cc(C(=O)N2CCN(c3nccn4nnnc34)CC2)c[nH]1 1055751102 PEMHRGYNSXJBOL-UHFFFAOYSA-N 323.320 -0.319 30 20 DBED C[C@H](C#N)C(=O)N[C@]1(CO)CCCN(C(=O)C2=CCOCC2)C1 1056094884 YCFNMTYBAJVDNJ-MLGOLLRUSA-N 321.377 -0.038 30 20 DBED N#Cc1cnc(N[C@@H]2CCN(C(=O)Cn3ncnn3)C2)c(F)c1 1056706796 HYGIUVSPUMPHTR-SNVBAGLBSA-N 316.300 -0.208 30 20 DBED CC(C)(O)CC(=O)NCCN(CCO)C(=O)c1cc(C#N)c[nH]1 1057291499 HBELRGMRHLGWRR-UHFFFAOYSA-N 322.365 -0.402 30 20 DBED CS(=O)(=O)CC(=O)N1CCC(Nc2cncc(C#N)n2)CC1 1057292555 WTGKODDQHBWBTC-UHFFFAOYSA-N 323.378 -0.204 30 20 DBED Cn1cnc(C(=O)N(CCO)CCNC(=O)C#CC2CC2)c1 1057345304 UOJXGIYFBQJVOW-UHFFFAOYSA-N 304.350 -0.616 30 20 DBED N#Cc1cnc(NC2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)cn1 1057427185 QBZGPIDKEOJOCG-NEPJUHHUSA-N 314.349 -0.127 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)CC(=O)NCC 1057439474 OLBJALKXPFRGKP-UHFFFAOYSA-N 311.382 -0.747 30 20 DBED Cc1cc(C(=O)NCCN(CCO)C(=O)C#CC2CC2)n(C)n1 1057531560 UKGOSZHHVRPDOD-UHFFFAOYSA-N 318.377 -0.307 30 20 DBED N#Cc1nccc(N2CCC[C@H](NC(=O)[C@H]3CCC(=O)N3)C2)n1 1058126947 DAODCNQGCAASBS-WDEREUQCSA-N 314.349 -0.288 30 20 DBED N#Cc1cnc(N2CC[C@@H](NC(=O)Cn3ccccc3=O)C2)cn1 1058367146 GITOBHTZCNYKQM-GFCCVEGCSA-N 324.344 -0.095 30 20 DBED N#Cc1cnc(N[C@H]2CCN(C(=O)C[C@H]3CCNC3=O)C2)cn1 1058982762 DSSKHFMCIDSCTK-MNOVXSKESA-N 314.349 -0.113 30 20 DBED C=CCCC(=O)NCC[C@@H]1CCN(C(=O)Cn2cnnn2)C1 1059129844 ROUYQXOKIVEIHZ-GFCCVEGCSA-N 306.370 -0.006 30 20 DBED C=CCCC(=O)N1CCOC[C@H]1CNC(=O)[C@H]1CCCC(=O)N1 1061657629 NBAQYFLUOHMNPK-CHWSQXEVSA-N 323.393 -0.035 30 20 DBED CC(C)(C)C#CC(=O)N1CCOC[C@H]1CNC(=O)c1nc[nH]n1 1061767106 WXXWRARJOXMCON-LLVKDONJSA-N 319.365 -0.189 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)Cc1ncc[nH]1 1061815665 AGAOYDAKSTUXSS-QWRGUYRKSA-N 305.338 -0.545 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(NC(=O)CNC(C)=O)CCC1 1063041879 HAKPNZBOEBNOFY-NSHDSACASA-N 309.366 -0.684 30 20 DBED N#Cc1ccc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)Cn2ncnn2)nc1 1064298212 VLXVVXGEXZTSCS-UHIISALHSA-N 310.321 -0.667 30 20 DBED C=CCOCC(=O)N1CCO[C@@H](CNC(=O)CSC)C1 1064976523 KPXUNZLMQJAOKI-NSHDSACASA-N 302.396 -0.104 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CN(C(=O)c2cccc(O)n2)CCO1 1065016633 RKYHUVDNCRBPTB-GHMZBOCLSA-N 318.333 -0.096 30 20 DBED N#Cc1cnc(N2C[C@@H](O)[C@H](CNC(=O)c3cn[nH]c3)C2)cn1 1067652077 UZSXARRVGCUBJM-ZYHUDNBSSA-N 313.321 -0.702 30 20 DBED C=C[C@@H](CC)CC(=O)N1CC2(C[C@H](NC(=O)CC(N)=O)CO2)C1 1068781362 ANPFVSPXLBLLKC-RYUDHWBXSA-N 323.393 -0.050 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1COC2(C1)CN(C(=O)Cc1cnc[nH]1)C2 1069009150 XEHUICNBLMYFDN-CMPLNLGQSA-N 317.349 -0.402 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1COC2(C1)CN(C(=O)c1n[nH]cc1F)C2 1069009397 ZDOJBJAJKSWALM-DTWKUNHWSA-N 321.312 -0.192 30 20 DBED CN(C(=O)c1nccnc1N)C1CC(N=c2cc[nH]c(C#N)n2)C1 1069716548 JRNKCYXAHBABII-UHFFFAOYSA-N 324.348 -0.143 30 20 DBED N#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)CC2CCOCC2)C1 1069904643 KDTJVEALWTXWND-KGLIPLIRSA-N 318.381 -0.040 30 20 DBED CC(C)[C@@H](O)C(=O)N1C[C@@H](NCC#N)[C@H](c2cncn2C)C1 1070644182 WCVGHTYFPVFLKG-YRGRVCCFSA-N 305.382 -0.155 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CCCN(C(=O)CC(=O)N(C)C)C1 1070752195 HBLLKFIDALYLAK-QWHCGFSZSA-N 323.393 -0.390 30 20 DBED C[C@H]1CN(C(=O)CSCC#N)C[C@H]1NC(=O)c1cnn[nH]1 1071659505 XJDPGTNXMGAWNS-WCBMZHEXSA-N 308.367 -0.362 30 20 DBED C=CCCC(=O)N[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@@H]1C 1071742706 VHJCMVSLPXXFEH-WDEREUQCSA-N 302.396 -0.040 30 20 DBED C#CCOCCC(=O)N1C[C@H](C)[C@@H](NC(=O)CNC(=O)CC)C1 1072096914 GBBBNCXWLQDDKT-STQMWFEESA-N 323.393 -0.484 30 20 DBED N#CCN1CCC2(C1)CN(C(=O)[C@H]1CN3CCC[C@@H]3CO1)C2 1072760938 VPWPZRGSFKFGRN-ZIAGYGMSSA-N 304.394 -0.093 30 20 DBED N#CCN1CCCO[C@@H](CNC(=O)[C@@H]2CCS(=O)(=O)C2)C1 1073684265 MJKHQTYHUFVWPB-NEPJUHHUSA-N 315.395 -0.848 30 20 DBED C=C(C)CN1CCCO[C@@H](CNC(=O)[C@@H]2CN(C)C(=O)N2)C1 1073727119 SZGQEKZNJIFCAF-STQMWFEESA-N 310.398 -0.207 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)CCc3cnn[nH]3)C[C@H]21 1074340051 FZDGCPZZLZGDKG-KGLIPLIRSA-N 303.366 -0.328 30 20 DBED Cn1cccc(C(=O)N2CC[C@H]3OCCN(CC#N)[C@@H]3C2)c1=O 1074382402 KFFZERXMRMSZHL-ZIAGYGMSSA-N 316.361 -0.176 30 20 DBED C[C@H](C#N)C(=O)N1CCC(O)(CNC(=O)c2cnco2)CC1 1074706372 KEBSXGBKOXRBOQ-SNVBAGLBSA-N 306.322 -0.082 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCN(C(=O)CNC(C)=O)[C@H](C)C1 1074990216 CMTBHBPPJKOGRH-TZMCWYRMSA-N 323.393 -0.342 30 20 DBED C[C@@H](C(N)=O)N1C[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)[C@@H]2C1 1075658911 ZNCVIUIGUNQCFF-XHVZSJERSA-N 301.350 -0.094 30 20 DBED C=CCCN1C[C@@H]2CCN(C(=O)CN3CCNC(=O)C3)[C@@H]2C1 1076128271 MNTCLHNOFXIMFO-UONOGXRCSA-N 306.410 -0.473 30 20 DBED C#CCN1CCC(C(=O)N2CC[C@H]3CN(CC(N)=O)C[C@H]32)CC1 1076604377 BFRBBMGOGXDLTK-LSDHHAIUSA-N 318.421 -0.650 30 20 DBED C=CCN1C[C@@H]2CCN(C(=O)c3cn(CC(N)=O)nn3)[C@@H]2C1 1076607529 LMWKPLIQQDAYQO-CMPLNLGQSA-N 304.354 -0.904 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)c2cn3nccc3nc2C)C1 1077916045 ZQADZNQTBYJYTF-CHWSQXEVSA-N 301.350 -0.001 30 20 DBED CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)[C@]2(C)CNC(=O)C2)C1 1080420072 MTVODCDSRKIFAS-BONVTDFDSA-N 306.366 -0.268 30 20 DBED CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)C[C@H]2CC(=O)NC2=O)C1 1080421740 OWGSHEXMFKKUMJ-NXEZZACHSA-N 320.349 -0.742 30 20 DBED CCN(C(=O)CCc1cnn[nH]1)C1CN(C(=O)[C@H](C)C#N)C1 1080574966 XSOHAZFQWLQXSJ-SNVBAGLBSA-N 304.354 -0.044 30 20 DBED COC[C@H](C)C(=O)NC1(CO)CCN(C(=O)[C@H](C)C#N)CC1 1080772519 YNVZUMJENBUFTC-NEPJUHHUSA-N 311.382 -0.102 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)COCCC)C1 1081327115 IWLIBWMKIYJSRR-QWHCGFSZSA-N 314.382 -0.449 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](CNC(=O)CC(=O)NC)C1 1081433975 PLGSGXOILJYXTJ-GHMZBOCLSA-N 311.382 -0.730 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)c2cccnn2)C[C@H]1O 1081462850 GGPCXKCLKUJDCM-TZMCWYRMSA-N 316.361 -0.315 30 20 DBED CCCOCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C#CC2CC2)C1 1081471385 MLRLDLJTWOKWEB-UONOGXRCSA-N 308.378 -0.238 30 20 DBED C=C(C)CCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cnon2)C1 1081682031 KZOBIDQXVUFPFG-CMPLNLGQSA-N 308.338 -0.025 30 20 DBED C=CCn1cccc1C(=O)N[C@@H]1CN([C@H](C)C(N)=O)C[C@H]1OC 1081798863 VHLZYSWAQWWAAP-YRGRVCCFSA-N 320.393 -0.023 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@H]2CCCN(C(N)=O)C2)[C@H](OC)C1 1081915722 SPQLZDOHSOPZTL-YNEHKIRRSA-N 308.382 -0.774 30 20 DBED C[C@H](NC(N)=O)C(=O)NC[C@@H]1CCCCN1C(=O)[C@H](C)C#N 1082267470 QOJSJJSLZDWLAC-VWYCJHECSA-N 309.370 -0.300 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2cnc3n2CCCCC3)C1 1083562252 YRXKWQFWFZKKMP-YPMHNXCESA-N 303.366 -0.092 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCCN2C(=O)C(C)C)C1 1084068697 DBFWWEKKZUNTIQ-KFWWJZLASA-N 321.421 -0.182 30 20 DBED C=CCN1CC[C@H](N2CC[C@H](NC(=O)c3nc[nH]n3)[C@H]2C)C1=O 1088929519 FFBTUTISRUQUOH-WOPDTQHZSA-N 318.381 -0.216 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2cc(C(N)=O)cn2C)[C@@H](O)C1 1090398600 FPXIHTAAGAFMJD-JSGCOSHPSA-N 318.377 -0.688 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)Cn2nnnc2C(C)C)[C@@H](O)C1 1090632324 FHFUCHCARRWGGW-STQMWFEESA-N 322.413 -0.076 30 20 DBED C#CCN1CC[C@@H](NC(=O)C2(N3CCOCC3)CCC2)[C@H](O)C1 1090687044 RJEQMJSKNGREBV-HUUCEWRRSA-N 321.421 -0.574 30 20 DBED CCC[C@@H](OC)C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1091166411 RXCSZCHZCXGAGG-GRYCIOLGSA-N 319.365 -0.171 30 20 DBED CNC(=O)C1(C(=O)NCCNc2nc(C)cc(C#N)n2)CC1 1093729544 YXCGFZSJMQEEKL-UHFFFAOYSA-N 302.338 -0.289 30 20 DBED C[C@H]1CCN(C(=O)C(=O)NCCNc2cncc(C#N)n2)C1 1093870108 MOVCBRIVGHOSDZ-JTQLQIEISA-N 302.338 -0.255 30 20 DBED COC(=O)c1nc(=NCCCNC(=O)CSCC#N)cc[nH]1 1094311546 GEMGZDNEVBLXNL-UHFFFAOYSA-N 323.378 -0.140 30 20 DBED N#Cc1nccnc1NCCCNC(=O)C1CS(=O)(=O)C1 1094610704 HSFGNFDYBLCSPY-UHFFFAOYSA-N 309.351 -0.689 30 20 DBED C#CCCN1CCN(C(=O)c2cocn2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094615021 YNWAMRKBZQVUCW-QWHCGFSZSA-N 323.374 -0.379 30 20 DBED N#CCN1CC(N2C[C@@H](NC(=O)[C@@H]3C[C@@H]4C[C@@H]4C3)CC2=O)C1 1094778338 LRUZAHSAGYBXAQ-LOWDOPEQSA-N 302.378 -0.043 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)CN3CCCC3)CC2=O)C1 1094817809 QYJWIDIVVXCCEN-CYBMUJFWSA-N 306.410 -0.331 30 20 DBED C[C@H](CC(=O)N1CC[C@@H](Nc2ccc(C#N)nn2)C1)NC(N)=O 1095062142 RZXOABXNXHBFLU-MWLCHTKSSA-N 317.353 -0.192 30 20 DBED C[C@@H](CC(N)=O)C(=O)N1CCCN(c2nccnc2C#N)CC1 1095202518 OKTGVPHHXCFLRL-NSHDSACASA-N 316.365 -0.102 30 20 DBED CN(CCCNC(=O)[C@]1(C)CCC(=O)N1)c1ccc(C#N)nn1 1095730984 FOVDCNZTIKFMOK-HNNXBMFYSA-N 316.365 -0.041 30 20 DBED N#Cc1ccc(N[C@@H](CNC(=O)Cn2cnnn2)C2CC2)nn1 1096568373 XLRXKKCYIUJPMP-NSHDSACASA-N 313.325 -0.658 30 20 DBED C[C@H](CNC(=O)[C@H]1COCCN1C)N=c1cc[nH]cc1C#N 1097765458 SWOYKGQNESZGEH-BXUZGUMPSA-N 303.366 -0.378 30 20 DBED Cc1cc(C#N)nc(N[C@@H](C)CNC(=O)Cn2ncnn2)n1 1098084852 WJDWVNOFNRQVHU-VIFPVBQESA-N 301.314 -0.740 30 20 DBED C[C@H](CNC(=O)[C@H]1CN(C)C(=O)N1)Nc1ncccc1C#N 1098213812 PZHCCGXVNWTQCZ-MWLCHTKSSA-N 302.338 -0.107 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CCN(CCC(=C)C)C[C@@H]1O 1099788990 KDVYKYYSBRPFKG-KBPBESRZSA-N 307.394 -0.357 30 20 DBED C=C(C)CCC(=O)N[C@H]1CCN(CC(=O)NCC#N)C[C@H]1O 1099855018 BDORGWUYOFAKSN-QWHCGFSZSA-N 308.382 -0.466 30 20 DBED C=CCCCC(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[nH]2)C[C@H]1O 1099976558 OSNCXWRLEWBMRD-NWDGAFQWSA-N 323.397 -0.484 30 20 DBED CCC(=O)NCC(=O)NCCN(C)c1cc(C#N)nc(CC)n1 1100002779 MORHDUPTWYVPGT-UHFFFAOYSA-N 318.381 -0.011 30 20 DBED C#CCCN1CC[C@H](NC(=O)CCn2cnccc2=O)[C@@H](O)C1 1100055444 CNHSJJDDMQAGJF-KBPBESRZSA-N 318.377 -0.792 30 20 DBED C#CCN1CC[C@H](NC(=O)COCc2nc(CC)no2)[C@@H](O)C1 1100072542 XDXCKDOUTHRYSE-RYUDHWBXSA-N 322.365 -0.667 30 20 DBED CCN(CCNC(=O)CCn1cncn1)c1ccnc(C#N)n1 1100474869 OIIBJAAAMXPBBZ-UHFFFAOYSA-N 314.353 -0.027 30 20 DBED N#Cc1ccc(N2CC[C@@H](CNC(=O)Cn3cnnn3)C2)cn1 1100928127 XIONSJQOXUVKGV-NSHDSACASA-N 312.337 -0.418 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H]1CN(Cc2nnnn2C)C[C@H]1C 1101958523 IVQSZESJKFNPAH-FRRDWIJNSA-N 320.397 -0.568 30 20 DBED CCN(C(=O)CNC(C)=O)[C@@H]1CCN(c2cnc(C#N)cn2)C1 1102771579 OIELBJYTVLXTJV-CYBMUJFWSA-N 316.365 -0.088 30 20 DBED CC[C@H](CNC(=O)[C@@H]1CC(=O)N(C)C1)N=c1cc[nH]c(C#N)n1 1103353189 WRNWDPONTKUSJJ-GHMZBOCLSA-N 316.365 -0.445 30 20 DBED CC#CCNCC[C@@H]1CN(C(=O)CN2CCOCC2=O)C[C@H]1C 1104297495 UHUWMRJTHSKUQX-HUUCEWRRSA-N 321.421 -0.057 30 20 DBED C[C@H](CNc1cnc(C#N)cn1)N(C)C(=O)Cn1cnnn1 1104447723 LYZDWWWBKHRUDX-SECBINFHSA-N 301.314 -0.706 30 20 DBED C#CCNCc1cn(C2CN(C(=O)[C@@H]3CCCN3C)C2)nn1 1105192497 RKGFCKOLWKNOJN-AWEZNQCLSA-N 302.382 -0.522 30 20 DBED C=C(C)CNCc1cn(C2CN(C(=O)Cn3ncnn3)C2)nn1 1105240559 ROZGEMQJRUQIMJ-UHFFFAOYSA-N 317.357 -0.986 30 20 DBED Cc1ncoc1C(=O)N1C[C@@H](C)[C@H](CNCC(=O)NCC#N)C1 1105981637 CTNPDJDGZFHHAB-ZYHUDNBSSA-N 319.365 -0.080 30 20 DBED N#Cc1cnc(NC[C@@H](O)CNC(=O)Cc2cscn2)cn1 1106126657 PBHWHBPPYBHDQT-LLVKDONJSA-N 318.362 -0.064 30 20 DBED C[C@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)COCCN(C)C 1106381787 QUCFILSQCBNJOB-GFCCVEGCSA-N 320.397 -0.345 30 20 DBED N#Cc1nc(=NC/C=C\CNC(=O)CNC(=O)C2CC2)cc[nH]1 1107061096 ITULYJBQIKSSPE-UPHRSURJSA-N 314.349 -0.619 30 20 DBED N#Cc1c[nH]ccc1=NC/C=C\CNC(=O)C[C@H]1CCNC1=O 1107375277 PGWGMGWLRRJZKZ-UDSFMNFJSA-N 313.361 -0.014 30 20 DBED C[C@@H](CNc1ccc(C#N)nn1)NC(=O)[C@@H]1CN(C)CCO1 1108303480 UAPNRJRKZKLGKH-JQWIXIFHSA-N 304.354 -0.405 30 20 DBED C[C@@H](O)CN1CC(N2C[C@H](NC(=O)C#CC3CC3)CC2=O)C1 1108545300 RUNJMFQEDFWFFI-DGCLKSJQSA-N 305.378 -0.818 30 20 DBED C[C@H](CN(C)c1ccnc(C#N)n1)NC(=O)[C@@H]1CCNC(=O)C1 1108894921 NQAYYJLEGIOZRB-GHMZBOCLSA-N 316.365 -0.185 30 20 DBED CN(C)CCC(=O)N[C@H]1[C@H]2C[C@H]1N(c1nccnc1C#N)C2 1109739555 BXYJTKWLDAMYPH-SUHUHFCYSA-N 300.366 -0.007 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H](NC(=O)Cn1cncn1)C1CC1 1109848762 RIHLPNCXNFTOEO-AWEZNQCLSA-N 311.349 -0.026 30 20 DBED COCC(=O)NC[C@@]1(O)CCN(c2cc(C)ncc2C#N)C1 1111033261 JTYPBFBHBAKQGU-HNNXBMFYSA-N 304.350 -0.035 30 20 DBED CN(C)CCCC(=O)N(CCO)CCNc1nccnc1C#N 1111551653 IIQPBMBYWWNONO-UHFFFAOYSA-N 320.397 -0.077 30 20 DBED CC(=O)NCC(=O)NCC1(N=c2cc[nH]cc2C#N)CCC1 1111748309 PJAOOVCQZMPCDG-UHFFFAOYSA-N 301.350 -0.038 30 20 DBED CC#CCN[C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1C(F)(F)F 1112045748 LPUFYZSVPNXFMA-RKDXNWHRSA-N 306.288 -0.343 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)[C@@H]2CCCCN2C)CC1 1113018785 AAWAXRIOUSGMFJ-GJZGRUSLSA-N 320.437 -0.247 30 20 DBED Cc1cc(C(=O)N[C@H]2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]32)no1 1113820560 XZGHAHSZIQBEDH-IWIIMEHWSA-N 303.322 -0.717 30 20 DBED CN1CCCC[C@@H]1C(=O)NC1[C@H]2CN(CC(=O)NCC#N)C[C@H]12 1114467305 WKLHPILZPMFKQO-RWMBFGLXSA-N 319.409 -0.843 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3ccnnc3)[C@H]2C1 1114875444 LRVXOGKULCOGSR-IMRBUKKESA-N 301.350 -0.561 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)CN(CC)CC)[C@H]2C1 1115000623 JDZQZEMJNPWFIC-NYTXWWLZSA-N 320.437 -0.488 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)[C@H](C)N3CCOCC3)[C@@H]2C1 1115357228 YIIVDMWHSDQGIZ-RRFJBIMHSA-N 321.421 -0.597 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)C(=O)NCc2ccc(F)cn2)C1 1118150200 ACKZXUNLTBJEMR-CQSZACIVSA-N 306.297 -0.286 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N[C@H](C)Cn2ccnc2)nn1 1118173922 VTYVNGQGVQBSJJ-LLVKDONJSA-N 317.353 -0.518 30 20 DBED C=C[C@H](O)C(=O)N1CCC(N2CCS(=O)(=O)CC2)CC1 1118694772 IVBGCLRYWKDHEJ-LBPRGKRZSA-N 302.396 -0.745 30 20 DBED N#Cc1cnc(N[C@H](CO)CNC(=O)[C@H]2CCCOC2)cn1 1121197106 GGNYSXGYHMFODF-JQWIXIFHSA-N 305.338 -0.336 30 20 DBED Cn1cnc(C(=O)NC[C@@H](CO)Nc2ccc(C#N)nc2)c1 1121304095 UHRXHFXDFBDTBS-LBPRGKRZSA-N 300.322 -0.110 30 20 DBED C=C1CCN(c2nnc(CCN(C)S(N)(=O)=O)n2C)CC1 1121327785 UFJSJYZJWVOSGU-UHFFFAOYSA-N 314.415 -0.351 30 20 DBED C#CCOCCC(=O)N(C)C[C@H](O)CNc1ncc(F)cn1 1124513320 QFIULFLIEBXOEN-GFCCVEGCSA-N 310.329 -0.113 30 20 DBED CN(C[C@H](O)CNc1ccc(C#N)cn1)C(=O)C(C)(C)C(N)=O 1124554657 PLEIKWDIMMIDME-LLVKDONJSA-N 319.365 -0.304 30 20 DBED COCCC(=O)N(C)C[C@@H](O)CN(C)c1cncc(C#N)n1 1124903533 TUQQXCVMQZXUCM-LBPRGKRZSA-N 307.354 -0.360 30 20 DBED CC(C)CNC(=O)NC(=O)[C@H](C)NCCNC(=O)[C@H](C)C#N 1124908103 DACDTRMYJOUHRW-MNOVXSKESA-N 311.386 -0.278 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)c1cnc2[nH]cnc2c1 1128432097 MRVGWHQDFCPDQO-JTQLQIEISA-N 316.365 -0.032 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H](n2ccnn2)[C@H](NC(=O)CC)C1 1128602798 XUIRWHPMWPHWIS-UPJWGTAASA-N 320.397 -0.280 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)CCc2cn[nH]c2)C1 1129312566 HHYLMFKKWFMIPU-KGLIPLIRSA-N 313.365 -0.391 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1cnc2n1CCC2 1129775528 QDICCRDKDNGKBY-NSHDSACASA-N 303.366 -0.713 30 20 DBED CCC[C@H](OC)C(=O)N1C[C@H](n2ccnn2)[C@H](NCC#N)C1 1129970669 YSUBFNQTOIUKLR-AGIUHOORSA-N 306.370 -0.042 30 20 DBED C=CCN[C@@H]1CN(C(=O)COCCCOC)C[C@@H]1n1ccnn1 1130077487 KWOBRNCMCJRBNT-KGLIPLIRSA-N 323.397 -0.141 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@@H]1CCn2cc(C)nc2C1 1130240778 BFOZJTOFTANPCC-CYBMUJFWSA-N 319.409 -0.238 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)C1CCC(C(N)=O)CC1 1130684391 POSYPKVLGIADGY-HIFPTAJRSA-N 322.409 -0.878 30 20 DBED COCC#CCN1CCNC(=O)CCN(C(=O)[C@H](C)C#N)CC1 1131339415 BWBJCHGCALWYLQ-CQSZACIVSA-N 320.393 -0.554 30 20 DBED CC#CCN1C[C@H](NC(=O)CNC(=O)CNC(C)=O)CC[C@@H]1C 1132131627 GZGXAXAKOKJPNI-GXTWGEPZSA-N 322.409 -0.769 30 20 DBED C=C(Cl)CNCCNC(=O)Cn1nc2ccccn2c1=O 1132133007 VRRWVBKQQRBKQM-UHFFFAOYSA-N 309.757 -0.046 30 20 DBED C=CCNC(=O)CNC[C@@H]1CN(C(=O)c2nc[nH]n2)CC[C@@H]1C 1133181998 MKDMAVKZCHXZED-NWDGAFQWSA-N 320.397 -0.205 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)Cn1cc(C)cn1 1133834643 BPZUQVMQZKWHTK-ZIAGYGMSSA-N 319.409 -0.186 30 20 DBED C#CCNC(=O)CC(=O)N1CC2(CCN([C@@H](C)COC)C2)C1 1147374963 YDVNZNHNEWGSDV-ZDUSSCGKSA-N 307.394 -0.305 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)C[C@@H](C)N1CCCC1=O 1147614655 GZRFZRCDECKDIF-CHWSQXEVSA-N 322.409 -0.769 30 20 DBED C=CCNC(=O)CN1CCC2(C1)CN(C(=O)Cn1nccn1)C2 1147624723 IJNBRWHKYATWGJ-UHFFFAOYSA-N 318.381 -0.885 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)CCC(=O)NCCC)C1=O 1148216625 IMTFERINEODJIA-CYBMUJFWSA-N 324.425 -0.215 30 20 DBED C=CCNC(=O)CN1CCC2(C1)CN(C(=O)CC(=O)N(C)C)C2 1148402525 WNGBWLJCBGHPED-UHFFFAOYSA-N 322.409 -0.699 30 20 DBED CN(C)S(=O)(=O)CC(=O)NCCNCc1cccc(C#N)c1 1149426851 FVIOYMSGGRWHRO-UHFFFAOYSA-N 324.406 -0.345 30 20 DBED Cn1nnnc1CN1CCCO[C@H](CNC(=O)C#CC2CC2)C1 1149688383 WTLTYGDXFYUBOZ-CYBMUJFWSA-N 318.381 -0.669 30 20 DBED C=CCN1CCCO[C@H](CNC(=O)CNS(=O)(=O)CC)C1 1149803852 FNFLRSWLRXCSGK-GFCCVEGCSA-N 319.427 -0.681 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)c2cnccn2)C1=O 1154256801 GEQIWRLSWIIITD-GFCCVEGCSA-N 303.366 -0.027 30 20 DBED C=C(C)CN(CC)C(=O)CNCCCNC(=O)Cn1cnnn1 1154503002 MUKLGTSGJVLFTO-UHFFFAOYSA-N 323.401 -0.806 30 20 DBED CCC(=O)NCC1(COC)CCN(CC(=O)NCC#N)CC1 1162032108 YMLGQYNAKAKFFT-UHFFFAOYSA-N 310.398 -0.119 30 20 DBED C#CCNCC1(CCNC(=O)CN2CCCS2(=O)=O)CC1 1165340364 DFBHOSSPLXQDCA-UHFFFAOYSA-N 313.423 -0.469 30 20 DBED C[C@H](CCCCNCCN1C(=O)CNC1=O)NC(=O)[C@H](C)C#N 1169830480 AFJDVEIZODLUKO-VXGBXAGGSA-N 323.397 -0.038 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)C1(C(=O)NC)CCC1 1171758369 ZRVZIGURIZSBPG-GFCCVEGCSA-N 324.425 -0.311 30 20 DBED N#CCSCC(=O)N1CC[C@@H]2OCCN(CC(N)=O)[C@H]2C1 1176929771 MEIZFLYCXKXRND-QWRGUYRKSA-N 312.395 -0.970 30 20 DBED C=CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)CNC(=O)CC)[C@H]1C 1178383611 CBCMQRFKIOUHBP-AVGNSLFASA-N 324.425 -0.218 30 20 DBED C#CCN[C@H]1CCN(C(=O)[C@@H](CCC)S(N)(=O)=O)[C@H]1C 1179230907 WGLPLHQKXLHBLB-SDDRHHMPSA-N 301.412 -0.344 30 20 DBED N#CCNCCCCCCNC(=O)c1cc(=O)n2[nH]cnc2n1 1180057208 YRTMYPLFBODBPH-UHFFFAOYSA-N 317.353 -0.179 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1 1182661084 IBDQIIASKJWCQQ-JHJVBQTASA-N 322.409 -0.606 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@H](N(C)Cc2cnn(C)n2)C1 1190094554 LOQPESNEKLGXRE-OCCSQVGLSA-N 305.382 -0.114 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)[C@@H](C)CCOC)[C@@H]2C1 1190272024 PPLZEWNTKOCAEA-SOUVJXGZSA-N 321.421 -0.059 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)COCCC=C)[C@@H]2C1 1190425175 PFFSYIXKMWPJSG-LSDHHAIUSA-N 319.405 -0.139 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2cncn2C)C1 1191170244 LHSLKZQUNHFYBF-GFCCVEGCSA-N 303.366 -0.684 30 20 DBED C#CCNC(=O)[C@H](C)N1CCCN(C(=O)c2ncccn2)CC1 1197520132 YXDSBZRNUROABL-ZDUSSCGKSA-N 315.377 -0.238 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCCN(C(=O)c2cccnn2)CC1 1197527360 AAPKIIKPQGFUTM-CYBMUJFWSA-N 315.377 -0.238 30 20 DBED C#CCNC(=O)CC(=O)N1CCC(NCc2cnn(C)c2)CC1 1200171319 XMJHLRJVLPPKFJ-UHFFFAOYSA-N 317.393 -0.360 30 20 DBED C#CCCCC(=O)N1CCC(NCC(=O)NC(=O)NC)CC1 1200325271 QSISWSKTYPMOGY-UHFFFAOYSA-N 308.382 -0.174 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)C[C@@](C)(O)C=C)CC1 1200334448 PYRRNUABMYGTCP-INIZCTEOSA-N 307.394 -0.357 30 20 DBED C=CCNC(=O)CNC[C@@H]1CN(C(=O)C#CC2CC2)CCCO1 1200452722 LKJZOANNZUIKCZ-OAHLLOKOSA-N 319.405 -0.091 30 20 DBED C#CCNC[C@@H]1CN(C(=O)[C@@H](C)S(C)(=O)=O)CCCO1 1200814587 KDNVQQKVNDOPNI-VXGBXAGGSA-N 302.396 -0.740 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)[C@H](CC)NC(C)=O)CC1 1202613532 QDTJZYBJBOSVKV-AWEZNQCLSA-N 322.409 -0.769 30 20 DBED C#CCCN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)CN1CCOCC1=O)C2 1204444922 SWYRMEKTCGNSMX-RBSFLKMASA-N 319.405 -0.162 30 20 DBED C=CCN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)CNS(=O)(=O)NC)C2 1204606223 FOFQEADXHNHJJY-IJLUTSLNSA-N 316.427 -0.805 30 20 DBED CC[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1208046987 SAXWEORIMVZCNP-SYQHCUMBSA-N 322.409 -0.122 30 20 DBED C=C(C)CN1C[C@@H](NC(=O)CCn2ncn(C)c2=O)[C@H](C)C1 1208073467 BUUGMEKVXYFGKW-CHWSQXEVSA-N 307.398 -0.016 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)/C=C(/C)C2CC2)[C@H](OC)C1 1211955218 YNPHJCRUZCETGR-QMPFAZFSSA-N 319.405 -0.093 30 20 DBED C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1NCC(=O)N1CCC1 1214167482 OBYFCLISZQJPBJ-VXGBXAGGSA-N 310.423 -0.088 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2COCCO2)C[C@H]1C 1214167803 SAEBUXFFCWBXGI-JHJVBQTASA-N 311.382 -0.860 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(Cc2cc(C)no2)C[C@@H]1O 1219527139 JXEVZDRIXJAAQN-IPYPFGDCSA-N 309.366 -0.029 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2conc2CC)C[C@@H]1O 1219613605 MCLUHORTLNPPJD-CABCVRRESA-N 321.377 -0.062 30 20 DBED C#CCC1(C(=O)N[C@@H]2CN([C@H](C)C(=O)N(C)C)C[C@@H]2O)CCC1 1219785397 NBOVQVFVQJCFCG-MCIONIFRSA-N 321.421 -0.182 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)COCc2nnc(C)s2)C1 1219953276 JXTVHBSLFCWACP-NEPJUHHUSA-N 324.406 -0.452 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@@H]2CN(C(=O)CCOC)[C@@H]2C1 1221222747 ZMTUTDSMFKDZJY-MGPQQGTHSA-N 307.394 -0.307 30 20 DBED C[C@@H](C#N)C(=O)NCC1CCN([C@@H]2CCC(=O)NC2=O)CC1 1222641085 HBOJJYUFHUWVAP-CMPLNLGQSA-N 306.366 -0.221 30 20 DBED COC1CC(C(=O)NCC2CCN(CC(=O)NCC#N)CC2)C1 1223541840 VORDEWRVGGTXFK-UHFFFAOYSA-N 322.409 -0.121 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CNC(C)=O 1224532270 JUWZEACJEVHWPU-CHWSQXEVSA-N 310.398 -0.558 30 20 DBED N#CCNC(=O)CN1CCC(NC(=O)[C@H]2CCCCO2)CC1 1226883513 GLCDCTRNAJLVCG-CYBMUJFWSA-N 308.382 -0.224 30 20 DBED C#CCOCCC(=O)NC1CCN([C@@H]2CCC(=O)NC2=O)CC1 1227322915 HTCNGPGMENBWAS-CYBMUJFWSA-N 321.377 -0.588 30 20 DBED N#CCN1CCS(=O)(=O)[C@H](CCNC(=O)c2cc[nH]c2)C1 1230461918 IDYCRFBQEIZEHM-GFCCVEGCSA-N 310.379 -0.243 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)Cc1cnn(C)c1 1231162345 RYIHSGCAFCKLGP-AWEZNQCLSA-N 317.393 -0.755 30 20 DBED C#CCC[C@H](O)CNS(=O)(=O)C[C@H]1CCCS(=O)(=O)C1 1261580093 IWONKABGQDBKBZ-RYUDHWBXSA-N 323.436 -0.495 30 20 DBED C[C@H](NC(=O)C(=O)N[C@@H]1CC[C@H](C#N)C1)c1nnnn1C1CC1 1261928627 KZUVGTWNAKWOPX-LPEHRKFASA-N 317.353 -0.006 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(F)nc1 1320292879 VRMOMEZNDMIYTH-UHFFFAOYSA-N 315.326 -0.124 30 20 DBED C#CCOCCNC(=O)C(=O)N[C@H]1CCC[C@H](C(=O)N(C)C)C1 1323259529 AJKOSWCDTBCVRU-STQMWFEESA-N 323.393 -0.484 30 20 DBED C=CCNC(=O)CNC[C@H]1CCCN1C(=O)Cc1cnc[nH]1 1324232912 CZNLRQHBNKCRNZ-CYBMUJFWSA-N 305.382 -0.165 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)NCCCO[C@@H]2CCOC2)CCO1 1325270560 JKJXDXJBBYQXPH-VXGBXAGGSA-N 311.338 -0.951 30 20 DBED C#CCSCCNC(=O)C(=O)N1CC[C@H]2NC(=O)CC[C@@H]2C1 1328075271 ZOTMPPRLICCRAF-VXGBXAGGSA-N 323.418 -0.404 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)N2CC[C@H](CO)C2)CCN1C1CC1 1332007635 WZTFSLJWNHXUQM-AAEUAGOBSA-N 306.366 -0.974 30 20 DBED C=CCOCCn1nnnc1N1CC[C@H](NC(=O)NC2CC2)C1 1334171939 KKWKUFMXGGEDAB-LBPRGKRZSA-N 321.385 -0.084 30 20 DBED C[C@H]1c2nncn2CCN1C(=O)C(=O)N1CCC[C@@H](C#N)C1 1335015120 HHXHUKXEXZSEBT-QWRGUYRKSA-N 302.338 -0.057 30 20 DBED O=C(CCN/C(O)=C1/N=CC=CC1=O)OCCN1CCOC1=O 1336960906 JHFBRFJYBMXJCK-SEYXRHQNSA-N 323.305 -0.102 30 20 DBED C[C@@H]1COCCN1C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1343835754 NHSSTYMBESDQTD-LRZCVGBLSA-N 308.338 -0.057 30 20 DBED CNC[C@@H]1CCN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1 1348714359 LUTHJGDTUWPWPU-GXTWGEPZSA-N 319.409 -0.747 30 20 DBED C=C(CC)C(=O)N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 1348748546 DMPXVKMBCOZQDN-NWDGAFQWSA-N 302.396 -0.433 30 20 DBED C=CCn1nnnc1N1CCC(N2CCCS2(=O)=O)CC1 1352157515 NNXWSMDAHVTEFM-UHFFFAOYSA-N 312.399 -0.137 30 20 DBED CC(C)(O)[C@@H]1CCCN(C(=O)Cn2cc(C#N)c(O)nc2=O)C1 1363386000 AFAIGAOORFKBCM-LLVKDONJSA-N 320.349 -0.170 30 20 DBED Cc1cnc(CCNC(=O)NCCn2cnc(C#N)n2)cn1 1365156523 TXAYZVXQRPMYII-UHFFFAOYSA-N 300.326 -0.210 30 20 DBED Cn1cc(C#N)c(NC(=O)N[C@H]2CCN(S(C)(=O)=O)C2)n1 1365159345 DMCLBNRCTXUNHS-VIFPVBQESA-N 312.355 -0.553 30 20 DBED COCCN(CCC#N)S(=O)(=O)NC[C@H]1CCN(C)C1 1365415045 JQPNKAAKBOHFKN-GFCCVEGCSA-N 304.416 -0.365 30 20 DBED CC(=O)N[C@H](C)C(=O)N[C@H](C)CNC(=O)c1cc(C#N)c[nH]1 1386717162 WAFRPYRLIFYJGG-RKDXNWHRSA-N 305.338 -0.355 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1cnn2ncccc12 1399846221 HPGXMOWRCQMAEN-UWVGGRQHSA-N 316.321 -0.904 30 20 DBED CC[C@H](CNC(=O)c1cn(C)c(=O)n1C)NC(=O)[C@H](C)C#N 1409305472 JLRQNOPPNLOOTI-NXEZZACHSA-N 307.354 -0.492 30 20 DBED COCCN1C[C@H](C(=O)NCCN(C)C(=O)[C@@H](C)C#N)CC1=O 1415516581 KQPJOEDHWDZTPV-NWDGAFQWSA-N 324.381 -0.784 30 20 DBED Cc1nccc(CCC(=O)NC[C@@H](O)CNC(=O)[C@@H](C)C#N)n1 1416778821 PGDBGZFHJDRUIP-GXFFZTMASA-N 319.365 -0.529 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNCC1(CS(C)(=O)=O)CC1 1420118891 YQOPKSVWVJBLSJ-MNOVXSKESA-N 317.411 -0.962 30 20 DBED C[C@H](C#N)C(=O)N(C)C1CCN(C(=O)CS(C)(=O)=O)CC1 1427315185 XGMNEYKPCKWQAE-SNVBAGLBSA-N 315.395 -0.360 30 20 DBED CC(=O)N(C)CC(=O)NC[C@H](O)CNCc1ccc(C#N)s1 1438972022 IMDVMIDOBNEXSF-LLVKDONJSA-N 324.406 -0.335 30 20 DBED CNC(=O)CN1CCC(NC(=O)c2ccc(C#N)n2C)CC1 1440965501 JAXIBDBIGZDRHS-UHFFFAOYSA-N 303.366 -0.163 30 20 DBED CCn1ccc(CC(=O)N(C)C[C@H](O)CNC(=O)[C@@H](C)C#N)n1 1444664674 PCRIAYXYXISFED-WCQYABFASA-N 321.381 -0.459 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@](C)(NC(=O)CCn2cnnn2)C1 1453878341 XFBGCGWMZHFKCK-ZWNOBZJWSA-N 305.342 -0.670 30 20 DBED CCN(C(=O)CCNC(N)=O)[C@@H]1CCN(C(=O)[C@@H](C)C#N)C1 1456652664 AVZBYQDSTQZDRP-WDEREUQCSA-N 309.370 -0.346 30 20 DBED N#Cc1cn(CC(=O)Nc2ccc3nncn3c2)c(=O)nc1O 1466358088 DXWFZJUXKUWVJS-UHFFFAOYSA-N 311.261 -0.498 30 20 DBED N#Cc1cn(CC(=O)N2CCC[C@H](CCO)CC2)c(=O)nc1O 1469124157 ZBHNPWNYHMNPNO-NSHDSACASA-N 320.349 -0.168 30 20 DBED CNC(=O)C[C@@H](C)NC(=O)N1CCC(C#N)(C(=O)OC)CC1 1470201677 RNQBXVXLJWPLGW-SNVBAGLBSA-N 310.354 -0.001 30 20 DBED CCCn1c(C)nnc1CNC[C@@H](O)CNC(=O)[C@@H](C)C#N 1496954506 HLZIFWPTWUXLSY-CMPLNLGQSA-N 308.386 -0.277 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H](O)CNC(=O)c2ccccn2)c1 1533150395 CANNUIMRTBCKOO-LLVKDONJSA-N 313.317 -0.198 30 20 DBED C[C@@H](CCNC(=O)c1cc(C#N)c[nH]1)N[C@@H]1CCC(=O)NC1=O 1570456536 SAYRUTAABSQGGE-GXSJLCMTSA-N 317.349 -0.210 30 20 DBED C#CCC1(C(=O)NC[C@H](O)CNC(=O)CNC(=O)O)CCC1 1573303393 NMVIRXHLQGXRDA-SNVBAGLBSA-N 311.338 -0.959 30 20 DBED C[C@H](C(=O)Nc1cccc(-c2nn[nH]n2)n1)n1cnc(C#N)n1 1573756198 NPTWEUSCTYNDRA-SSDOTTSWSA-N 310.281 -0.075 30 20 DBED CN1C[C@H](N(C)c2cnc(-c3nn[nH]n3)c(C#N)n2)CCC1=O 1579320905 XVAKJTMEQCLBAW-MRVPVSSYSA-N 313.325 -0.415 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N[C@H]2CNCCC2(F)F)CCO1 1580041736 GCAITJPQDKYMOQ-BDAKNGLRSA-N 310.326 -0.958 30 20 DBED CC#CCCCC(=O)N1CC(O)(CNC(=O)[C@H]2C[C@@H]2C(=O)O)C1 1588924804 FLTOGISTTGUDHL-RYUDHWBXSA-N 322.361 -0.410 30 20 DBED C[C@](O)(CNC(=O)C(=O)Nc1ccc(C#N)c(F)c1)C(=O)O 1589138871 VPRSRJJKNZTYPH-ZDUSSCGKSA-N 309.253 -0.412 30 20 DBED N#CCNC[C@H]1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1592678786 QLNWWMRQWUTFFW-SECBINFHSA-N 300.326 -0.230 30 20 DBED N#Cc1ccsc1NC(=O)C(=O)N1CCC[C@H](O)[C@@H]1C(=O)O 1601129501 HPARXBKNUNVJCI-DTWKUNHWSA-N 323.330 -0.005 30 20 DBED C#CC[C@@H](NC(=O)c1ccc(CNS(C)(=O)=O)o1)C(=O)O 1602693303 OWEHRVGTGJAKBJ-SECBINFHSA-N 314.319 -0.465 30 20 DBED C=CCN(CC=C)C(=O)Cn1c(N)nc(-c2nn[nH]n2)c1C#N 1602850874 XTWSVDANXPRTFN-UHFFFAOYSA-N 313.325 -0.282 30 20 DBED N#C[C@@H]1CN(C(=O)c2cnc(C(=O)O)cn2)CCN1C1CC1 1605583187 MWHSXBFHKAGOBG-SNVBAGLBSA-N 301.306 -0.013 30 20 DBED N#Cc1nc(N)n(CCOC2CCOCC2)c1-c1nn[nH]n1 1606389124 KRGBQEQQCPAIEM-UHFFFAOYSA-N 304.314 -0.287 30 20 DBED Cc1cc(C#N)c(O)nc1C(=O)N1CC(=O)N(C)C[C@H]1C(=O)O 1607564271 BVQZRQVQEIIFSG-VIFPVBQESA-N 318.289 -0.665 30 20 DBED N#CCN1CCC(NS(=O)(=O)c2n[nH]cc2C(=O)O)CC1 1608188244 RDYQPZKSQOYLFU-UHFFFAOYSA-N 313.339 -0.626 30 20 DBED Cc1onc(CC(=O)N2CCNC(=O)[C@@H]2CC(=O)O)c1C#N 1610589033 XBJBVLXBTFNTDJ-JTQLQIEISA-N 306.278 -0.801 30 20 DBED C=CCNC(=O)CNC[C@H]1CCCCN1C(=O)CNC(C)=O 1690461411 RXLAXCRAQWQYRB-CYBMUJFWSA-N 310.398 -0.605 30 20 DBED C#CCNC(=O)[C@H](C)N1CC(N(C)C(=O)[C@@H]2CCCCN2C)C1 1699716806 DFGSIIGBABHEHZ-ZFWWWQNUSA-N 320.437 -0.249 30 20 DBED CC#CCN1CCC[C@H](NC(=O)CNS(=O)(=O)CC)C1 1732091641 KFNFWUUNSJSLRZ-LBPRGKRZSA-N 301.412 -0.470 30 20 DBED C#CCNC(=O)CN[C@H](C)CNC(=O)C(C)(C)c1cnc[nH]1 1752914258 OSZFZTHXEZDPJI-LLVKDONJSA-N 305.382 -0.469 30 20 DBED COCC#CCN[C@@H](C)CNC(=O)c1cccnc1C(N)=O 1752920353 BPXPOTCMHYWTKD-NSHDSACASA-N 304.350 -0.462 30 20 DBED C#Cc1ccc(C(=O)NCCN(C)CCN2CCNC2=O)cn1 1753071269 GSBKFZPROJCFTO-UHFFFAOYSA-N 315.377 -0.250 30 20 DBED C=CCN1CC[C@@H](CNC(=O)CN2CCCS2(=O)=O)C1 1753127181 IYTGPQGOFSRISU-LBPRGKRZSA-N 301.412 -0.354 30 20 DBED COCC#CCNC[C@H](O)CNC(=O)c1ccnn1C(C)C 1753919226 DIOXPBKRFFIBEW-ZDUSSCGKSA-N 308.382 -0.206 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H](C)CNCc1nnn(C)n1 1754243530 PRDNAEZRPOULJT-ZYHUDNBSSA-N 323.401 -0.725 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@]1(O)CCN(CCn2cncn2)C1 1754748472 JQFNRECESQKWAI-GJZGRUSLSA-N 323.397 -0.842 30 20 DBED C#CCCN1CC[C@](O)(CNC(=O)[C@]2(CC)CCNC2=O)C1 1754754246 MZHGFDRMRVKGNP-JKSUJKDBSA-N 307.394 -0.521 30 20 DBED C[C@@]1(C(=O)N2C[C@@H]3CN(CC(=O)NCC#N)C[C@@H]3C2)CCOC1 1754844436 LAUIUIFESWSOPK-DVOMOZLQSA-N 320.393 -0.557 30 20 DBED C#CCNCCN(CCO)C(=O)CS(=O)(=O)C1CCCC1 1754886042 ZMJQAINCNMAIGI-UHFFFAOYSA-N 316.423 -0.613 30 20 DBED CC1(C)CC[C@H]1C(=O)N1CCO[C@H](CNCC(=O)NCC#N)C1 1755011303 VEXIXSCTCHAVAP-OLZOCXBDSA-N 322.409 -0.121 30 20 DBED N#CCNC(=O)CN1CCC[C@H](NC(=O)c2ncccn2)CC1 1755030672 FZNPCZIVXPOUIC-LBPRGKRZSA-N 316.365 -0.299 30 20 DBED C[C@@H]1C[C@H](NC(=O)C2=COCCO2)CCN1CC(=O)NCC#N 1755157368 HNEQQUPTAHPEPO-VXGBXAGGSA-N 322.365 -0.517 30 20 DBED Cc1cnn(CC(=O)N[C@@H](C)[C@@H](C)NCC(=O)NCC#N)c1 1755228920 VGYSTHGRLZCITN-NEPJUHHUSA-N 306.370 -0.686 30 20 DBED C#CCCN[C@@H](CO)CNC(=O)C[C@@H]1CCCS(=O)(=O)C1 1755644039 WDITXQUMQNPBRR-QWHCGFSZSA-N 316.423 -0.709 30 20 DBED CCC(=O)NCC(=O)N1C[C@@H](NCC#CCOC)C(C)(C)C1 1755753239 KFKDHIPGUWTEGD-CYBMUJFWSA-N 309.410 -0.011 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC(CCO)(NC(=O)c2ccon2)C1 1756077574 DFYYZUXKIQULEP-NSHDSACASA-N 323.349 -0.041 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@H](CO)NC(=O)c1ncccc1O 1756515471 MHTYRLHYCSPPHI-BONVTDFDSA-N 323.349 -0.679 30 20 DBED C=CCO[C@@H](C)C(=O)NC[C@@H](O)CN(C)C(=O)C#CC1CC1 1756663737 XVFYBUSWSTZDQG-GXTWGEPZSA-N 308.378 -0.074 30 20 DBED CC(C)C#CC(=O)N(C)C[C@H]1CCN1C(=O)[C@@H]1COC(=O)N1 1757286598 UYMPMSCDWHZGAJ-NEPJUHHUSA-N 307.350 -0.187 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)Cc1ncccn1)CCO2 1783048130 PQXGFYXDVWCCSU-INIZCTEOSA-N 314.345 -0.518 30 20 DBED C[C@@H](CN)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC#N)[C@H]2C1 1786703365 MFHCQVFVYHDXBJ-XUXIUFHCSA-N 322.409 -0.135 30 20 DBED N#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc[nH]1)C2 1795417579 WOCWIMYZYYRDDZ-GNXNZQSNSA-N 317.349 -0.083 30 20 DBED C#CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C#CC(=O)O)CC2 1825028108 XDFXGJXOTSNJSU-QMMMGPOBSA-N 317.326 -0.224 30 20 DBED C#CC(=O)N1CC2(CCCN2C(=O)CCNC(=S)NC)C1 1844267753 MDIALZRKPVQWDC-UHFFFAOYSA-N 308.407 -0.693 30 20 DBED CN1CCO[C@@H](C(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1 81283316 WOUREESKTHXYQH-CQSZACIVSA-N 315.377 -0.068 30 20 DBED C/N=C(/NCCN1CCOC[C@@H]1C)N1CCO[C@H](COC)C1 262002308 UGSUMIXKTYCZHC-KBPBESRZSA-N 314.430 -0.370 30 20 DBED COC(=O)[C@@H](c1cccc(C#N)c1)N1CCO[C@H](C(N)=O)C1 267660684 ZMYRVIJTFHPLTB-QWHCGFSZSA-N 303.318 -0.042 30 20 DBED C#CCOc1cccc(NC(=O)C(=O)NCCOCC(N)=O)c1 275922851 MLFPJPDUNIFEJG-UHFFFAOYSA-N 319.317 -0.745 30 20 DBED CN(CC#CCN(C)CC(=O)NC1CC1)CC(=O)NC1CC1 276288135 HGNPRPADKXWOHZ-UHFFFAOYSA-N 306.410 -0.589 30 20 DBED C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCCS(=O)(=O)NC 280975343 MACVRGHRTJADIS-WDEREUQCSA-N 305.400 -0.184 30 20 DBED C=CCS(=O)(=O)CCNS(=O)(=O)CCCOC(C)=O 287869922 PXQJLLMWXFYTGQ-UHFFFAOYSA-N 313.397 -0.540 30 20 DBED CNC(=O)NC(=O)CN1CCN(c2snc(C)c2C#N)CC1 289401384 FWCXVCLGFKNOHY-UHFFFAOYSA-N 322.394 -0.099 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCNC(=O)[C@@H]1C 292230476 AYFJSLNOBTUKKI-TUAOUCFPSA-N 309.366 -0.569 30 20 DBED COCCN1CCC(/N=C(/O)CN2CCN(C)C(=O)C2)CC1 329621112 RMBQQCADSBRGPB-UHFFFAOYSA-N 312.414 -0.172 30 20 DBED COCCN1CCN(S(=O)(=O)N(C)C[C@H](C)C#N)C[C@H]1C 330376570 DOIOZNSAXDCLRP-CHWSQXEVSA-N 318.443 -0.025 30 20 DBED CCN(CC(=O)N/C(O)=N/[C@@H]1CCS(=O)(=O)C1)C(C)C 330447320 FPRNWPSCSVAKSB-SNVBAGLBSA-N 305.400 -0.066 30 20 DBED COC[C@H](C)/N=C(/O)NC(=O)CN1CCNC(=O)[C@@H]1C(C)C 330658026 MNGYWBYUFQYOIJ-JQWIXIFHSA-N 314.386 -0.492 30 20 DBED CN1CC=C(CNS(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 336882560 FQWHOXKNZPAOKD-LBPRGKRZSA-N 300.384 -0.693 30 20 DBED C[C@H]1COC(C)(C)CN1S(=O)(=O)N1CCO[C@@H](C#N)C1 337159091 RJNKMTVIXKNNLE-QWRGUYRKSA-N 303.384 -0.045 30 20 DBED COCCN(CC(=O)OC)S(=O)(=O)N(C)[C@H](C)CC#N 337966242 ANXYGOIQUMEUIU-SNVBAGLBSA-N 307.372 -0.413 30 20 DBED CNC(=O)Cn1nc(N[C@@H](C)C(=O)N(C)CCC#N)cc1C 342435058 IDLWPHXWACDTPQ-NSHDSACASA-N 306.370 0.110 30 20 DBED N#CCCN(CCN1CCOCC1)C(=O)Cn1cccnc1=O 343039790 KFYWQFDWLKDLOZ-UHFFFAOYSA-N 319.365 -0.682 30 20 DBED N#Cc1ccc(S(=O)(=O)CCN2C[C@@H](O)C[C@H]2CO)nc1 343682931 HLGGQTQOHOEZIV-RYUDHWBXSA-N 311.363 -0.846 30 20 DBED C=C[C@@H](CO)NC(=O)NCCNS(=O)(=O)c1ccccc1 358449779 FXEYPWBXOHVRBE-NSHDSACASA-N 313.379 -0.189 30 20 DBED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NCC(F)(F)CN 418817567 BKAMTACPECRQSJ-VHSXEESVSA-N 305.325 -0.206 30 20 DBED C=CCN(CCC#N)CCn1cnc2c1c(=O)n(C)c(=O)n2C 428855456 GADRWLYLPZUNNN-UHFFFAOYSA-N 316.365 -0.165 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCC[C@@H](O)C2)CC1 439252038 YQVWTKYPRXHYJI-UONOGXRCSA-N 309.410 -0.016 30 20 DBED COC(=O)[C@@H]1CNC(=O)CN1CCOc1ccc(C#N)cc1 447903805 ILWGGCYFTXBOLN-ZDUSSCGKSA-N 303.318 -0.090 30 20 DBED COC(=O)NCCC(=O)N(CCC#N)CCN1CCOCC1 491267532 ZLGAYBAFTGUARG-UHFFFAOYSA-N 312.370 -0.193 30 20 DBED COC(=O)CN(CC#N)C(=O)CNC(=O)OCC(F)(F)F 491518679 NLORSUUNVVLTGA-UHFFFAOYSA-N 311.216 -0.200 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)CC2(O)CCCC2)CC1 491788711 YGBNELRHYXMJFM-UHFFFAOYSA-N 307.394 -0.425 30 20 DBED CCOC(=O)[C@H](CO)NC[C@H](O)COc1ccc(C#N)cc1 592430272 SHQFPGJPKYQYRX-JSGCOSHPSA-N 308.334 -0.188 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1CCC[C@@H]1[C@@H](C)O 594858927 ZVCBMWDFEFTHQK-VXGBXAGGSA-N 305.400 -0.062 30 20 DBED N#Cc1ccccc1S(=O)(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 594874762 TWZPLYDIJTWAFU-NWDGAFQWSA-N 320.374 -0.509 30 20 DBED CCN(CC)C[C@H](C)NC(=O)C(=O)N1CCN(CCC#N)CC1 602237927 FRLUYKWYMMAHRH-AWEZNQCLSA-N 323.441 -0.109 30 20 DBED C=C[C@@](C)(O)C(=O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 613974583 ODCGBFVHSCPHNB-GFCCVEGCSA-N 314.367 -0.820 30 20 DBED C#CCOCCN(C)C(=O)[C@H]1CCCCN1S(C)(=O)=O 688067613 PNUDRSXCFBEJKS-GFCCVEGCSA-N 302.396 -0.091 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCC(NS(C)(=O)=O)CC1 730097012 VTFYMBIRDRVSNC-ZDUSSCGKSA-N 313.423 -0.376 30 20 DBED C#CCOc1ccc(NC(=O)C(=O)NC[C@@]2(O)CCOC2)cc1 755087363 LAFPHMTVILXJIK-INIZCTEOSA-N 318.329 -0.095 30 20 DBED N#Cc1cnn(C(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)c1N 776229718 BCDPKUKCRXOBIJ-HZQMYPQZSA-N 315.289 -0.860 30 20 DBED C#CCN1CCN(C(=O)CN2CC[C@H](n3cncn3)C2)CC1 776878243 WHCSWFSFNOFJQE-AWEZNQCLSA-N 302.382 -0.698 30 20 DBED N#C[C@@H]1CNC[C@H]1NC(=O)CCOc1cccc(C(N)=O)c1 843461785 NNUOICGRQCOUNZ-DGCLKSJQSA-N 302.334 -0.218 30 20 DBED CON(C)C(=O)[C@H](C)NC(=O)CNC(=O)c1ccc(C#N)cc1 863630033 OHJUFNLYZPLBDG-JTQLQIEISA-N 318.333 -0.187 30 20 DBED C#CC[C@@H](CCOC)NC(=O)Cn1[nH]cc2c(=O)ncnc1-2 863786444 AEXSVYXWRKLYEL-JTQLQIEISA-N 303.322 -0.384 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N1C[C@H]2[C@@H](O)CC[C@H]2C1 898140287 MNSRLPQGHWERFZ-DGAVXFQQSA-N 308.378 -0.240 30 20 DBED CN(C)c1c(C=NN[C@@H]2CCCC[C@H]2O)c(=O)n(C)c(=O)n1C 901334383 LRCUDZFZVRQZST-VXGBXAGGSA-N 323.397 -0.623 30 20 DBED CN(C(=O)c1c[nH]c(C#N)c1)[C@H]1CCN(C(=O)CC(N)=O)C1 936947130 JCGFMKRWLCVWAU-NSHDSACASA-N 303.322 -0.565 30 20 DBED C[C@H](C#N)C(=O)N1CCCN(C(=O)c2cc(C(N)=O)c[nH]2)CC1 942091850 NIDCUOBKNJUJQC-SNVBAGLBSA-N 317.349 -0.052 30 20 DBED C[C@H](C#N)C(=O)N1CCCC[C@@H](NC(=O)c2nnn(C)n2)C1 943442353 HPXVMFDRTYRKMA-NXEZZACHSA-N 305.342 -0.519 30 20 DBED C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)CC[C@@H]1NC(=O)C(N)=O 945280896 ZDSVAZPKMBGZLN-SCZZXKLOSA-N 303.322 -0.662 30 20 DBED C#Cc1cncc(C(=O)N2CC[C@H](NC(=O)C(N)=O)[C@H](C)C2)c1 945512129 ITLQTOWWHJYHSH-MFKMUULPSA-N 314.345 -0.485 30 20 DBED CN1C[C@H](C(=O)N2CC[C@@H]3CN(CC#N)C[C@@H]3CC2)NC1=O 946714307 NTEPSCBXWMOHOU-FRRDWIJNSA-N 305.382 -0.296 30 20 DBED C[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 948037288 UVMNURDQHLAXCM-LDYMZIIASA-N 303.322 -0.662 30 20 DBED C#CCCN1CCC[C@@H](N(C)C(=O)CN2CC(=O)NC2=O)CC1 948865363 PKIGAWUXHKUFOE-CYBMUJFWSA-N 320.393 -0.126 30 20 DBED C#Cc1ccc(C(=O)N2CCC[C@H](NC(=O)C(N)=O)C2)nc1 951494916 SCMAGHAAXQEVRN-NSHDSACASA-N 300.318 -0.731 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H]1CNC(=O)c1ccc(=O)n(C)n1 956191036 WNMHKBNRWWOIEQ-MNOVXSKESA-N 317.349 -0.339 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H]1CNC(=O)c1c[nH]c(=O)cn1 956191188 XFEPHMPPRFNWRR-ZJUUUORDSA-N 303.322 -0.350 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2c3c(nn2C)CCCC3)C1 958101227 OHIFIQFWYQELAT-SWLSCSKDSA-N 316.405 -0.045 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2ccc3nc(O)[nH]c3n2)C1 958345720 QWJFQTUHVSVGAZ-SKDRFNHKSA-N 315.333 -0.681 30 20 DBED CC#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cnn(CCOC)c2)C1 958635252 GLNADUJOYFKREX-DZGCQCFKSA-N 320.393 -0.425 30 20 DBED N#CCN1C[C@H](CNC(=O)c2cccc(NC(N)=O)c2)[C@@H](O)C1 958658012 SKMQCKIJBOGJJH-AAEUAGOBSA-N 317.349 -0.277 30 20 DBED C#CCN1CCC(C(=O)NC[C@@H]2CN(CC=C)C[C@H]2O)CC1 958723697 IXGCXNLDQASRCV-HZPDHXFCSA-N 305.422 -0.074 30 20 DBED Cc1nonc1C(=O)N(C)[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 958881578 CMGLREZCVAWQOL-RYUDHWBXSA-N 318.333 -0.565 30 20 DBED C=C(Cl)CN1C[C@H]2C(NC(=O)c3cn(C)c(=O)nc3O)[C@@H]2C1 962531051 BQLWKLJMEHFGOI-RKDXNWHRSA-N 324.768 -0.102 30 20 DBED N#Cc1ccc(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@H]3CC3(F)F)C2)[nH]1 962751090 MZQWDXBJDBCMCE-IEBDPFPHSA-N 324.287 -0.157 30 20 DBED Cc1cn(C)nc1C(=O)NC[C@@H]1COCCN1C(=O)[C@@H](C)C#N 964177042 ALJSMQVJNKGHMN-CMPLNLGQSA-N 319.365 -0.155 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(C[C@@H](NC(=O)c3ccn(C)n3)CO2)C1 965710594 QTBJYUAGDNCXJG-WDEREUQCSA-N 317.349 -0.321 30 20 DBED CCN(C(=O)[C@H]1CCC(=O)NC1)C1CN(C(=O)C#CC2CC2)C1 968133178 SAZDYVSLADUVMA-ZDUSSCGKSA-N 317.389 -0.015 30 20 DBED C[C@@H]1CCN(CC#N)C[C@H]1NC(=O)c1cc(=O)n2[nH]cnc2n1 968543510 BWEJUSAMSFOZMZ-MWLCHTKSSA-N 315.337 -0.619 30 20 DBED O=C(N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O)c1csc(O)n1 969835527 SJOTUBNUNKROLB-KOLCDFICSA-N 321.358 -0.436 30 20 DBED CN(Cc1nnnn1C)[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 971365106 BHHAJONNBDGGNX-LLVKDONJSA-N 314.353 -0.244 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)[C@H]3CN(CC)CCO3)C2)C1 972682975 KHBRWMDAULINPR-WBVHZDCISA-N 321.421 -0.356 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)c3cn(C)c(=O)n3C)[C@H]2C1 976701899 YASVZVJUGYERKE-SVDPJWKOSA-N 317.349 -0.930 30 20 DBED C#CCN1C[C@@H](NC(=O)c2nccnc2C(N)=O)C(C)(C)C1 977564610 HDCJBGLRHSISDT-SNVBAGLBSA-N 301.350 -0.351 30 20 DBED C=C(C)CN1C[C@H]2[C@H](CNC(=O)C3CC(=O)NC(=O)C3)[C@H]2C1 978851355 DNISQHNZEVIJDK-XYYAHUGASA-N 305.378 -0.091 30 20 DBED N#Cc1cc(C(=O)N2CC(NC(=O)c3nccnc3N)C2)c[nH]1 990543629 ZDHWYGMUNCQDNJ-UHFFFAOYSA-N 311.305 -0.487 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@@H](NC(=O)C(F)F)[C@H](O)C2)c1 991168864 UICNRALYEZSWGI-PSASIEDQSA-N 312.276 -0.157 30 20 DBED C[C@@H](C(=O)NC1CN(C(=O)[C@H](C)C#N)C1)N1C(=O)CCC1=O 993793364 KUJMTJCMTCXPEE-BDAKNGLRSA-N 306.322 -0.989 30 20 DBED C[C@H](C#N)C(=O)N1CC(N2C[C@H](NC(=O)C3CCC3)CC2=O)C1 995477967 QGKVAGBOZIAZIS-ZYHUDNBSSA-N 318.377 -0.126 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CC(N)=O)[nH]1 996096411 HQNVDAXJFJCPOO-USWWRNFRSA-N 315.333 -0.377 30 20 DBED C[C@]1(C(=O)NC2CN(C(=O)C#CC3CC3)C2)CCC(=O)NC1 998029871 ONNJDKIZJDESBU-INIZCTEOSA-N 303.362 -0.357 30 20 DBED Cn1nc(C(=O)NC2CN(C(=O)C#CC3CC3)C2)ccc1=O 1000087921 TYVHEUGSOZDYCN-UHFFFAOYSA-N 300.318 -0.866 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)Cn2cnnn2)C1 1007006654 PYLWVNTYKQLGHC-MJVIPROJSA-N 317.353 -0.670 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CC[C@H]1CN2C(=O)C(N)=O 1007346014 XQQCMDUXUVZAQI-LOWDOPEQSA-N 321.377 -0.345 30 20 DBED C#CCCN1CCC[C@@H](NC(=O)c2cn(C)c(=O)nc2O)C1 1009499080 WZIFANGMSAAZFV-LLVKDONJSA-N 304.350 -0.297 30 20 DBED C=CCCN1CCC[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C1 1009557874 GHSSWMLUMLDSHX-NWDGAFQWSA-N 301.412 -0.165 30 20 DBED Cc1ccc(=O)n(CC(=O)N2CCN(C(=O)[C@H](C)C#N)CC2)n1 1011828630 KNVCTEZTNVLSGF-LLVKDONJSA-N 317.349 -0.618 30 20 DBED C=CCN1CC[C@@H](N2CC[C@H](NC(=O)c3cnn[nH]3)C2)C1=O 1015064666 AVFDRUKWQDRWTM-CMPLNLGQSA-N 304.354 -0.604 30 20 DBED CC#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)c1cn(CC(N)=O)nn1 1018309106 NYMKIWGVGIMTDQ-TXEJJXNPSA-N 316.365 -0.925 30 20 DBED CN(C[C@H]1CCCCN1C(=O)C(N)=O)C(=O)c1ccc(C#N)[nH]1 1019794883 YILJXSVQFKNELV-LLVKDONJSA-N 317.349 -0.175 30 20 DBED Cc1nc(CC(=O)N2C[C@@H]3CCN(C(=O)[C@@H](C)C#N)[C@@H]3C2)n[nH]1 1022563754 BMKHXNAUFXFZQR-ZMLRMANQSA-N 316.365 -0.125 30 20 DBED C=C(Cl)CN[C@H]1C[C@@H](NC(=O)CN2CC(=O)NC2=O)C1 1022862295 ZZXVIHBIDVOWIV-DTORHVGOSA-N 300.746 -0.473 30 20 DBED C=C(Cl)CN1CC(NC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 1030724203 VYNOWTYFSZHCGO-NSHDSACASA-N 309.757 -0.082 30 20 DBED C=CCn1cc(C(=O)NCC2CN(Cc3cnon3)C2)nn1 1032036061 PXKNQVWZCWAKGZ-UHFFFAOYSA-N 303.326 -0.291 30 20 DBED Cc1cc(C(=O)NC[C@@H]2CN(CC#N)CCO2)ncc1C(N)=O 1035509502 ZPWCMPLGPTZZQI-LLVKDONJSA-N 317.349 -0.557 30 20 DBED C#CCCN1CCO[C@@H](CNC(=O)c2ccc(=O)n(C)n2)C1 1035602811 LXQOSKWRWHVFQZ-LBPRGKRZSA-N 304.350 -0.766 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2[C@H]3C[C@H]2N(CCn2cncn2)C3)[nH]1 1037370016 CGZMVNBNAQIGFN-GDLCADMTSA-N 311.349 -0.019 30 20 DBED C=CCN[C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C[C@H]1CC 1037845735 PXQDJUIGGSLWQG-VXGBXAGGSA-N 320.397 -0.220 30 20 DBED COC1CC(C(=O)N2CC[C@@](O)(CNC(=O)C#CC3CC3)C2)C1 1039684859 FEDHVSSCODTRHW-MQBCKMQZSA-N 320.389 -0.096 30 20 DBED C=CCCC(=O)N1CC[C@](O)(CNC(=O)[C@H]2CCCNC2=O)C1 1040125306 XLIYQGPUJCEVAM-LRDDRELGSA-N 323.393 -0.442 30 20 DBED Cc1n[nH]cc1C(=O)N1CC[C@@](O)(CNC(=O)[C@H](C)C#N)C1 1040770709 UEWRNDOUVSXPBJ-YMTOWFKASA-N 305.338 -0.429 30 20 DBED Cc1cc(C#N)nc(N[C@H]2C[C@H](NC(=O)C(N)=O)C23CCC3)n1 1041610894 LGUOFPPKRBFLKH-QWRGUYRKSA-N 314.349 -0.019 30 20 DBED C=C(C)CCC(=O)N1CC(O)(CNC(=O)CCc2nc[nH]n2)C1 1042418653 NSSTZFZQKIGZJJ-UHFFFAOYSA-N 321.381 -0.217 30 20 DBED C=CCCCC(=O)N1CC(O)(CNC(=O)c2cnnc(O)c2)C1 1043480268 MVUHDPIUUAXIOH-UHFFFAOYSA-N 320.349 -0.158 30 20 DBED Cn1ncc(C(=O)N[C@@H]2CN(c3ccncc3C#N)C[C@@H]2O)n1 1044055976 UHLZHJJVWYRFIK-YPMHNXCESA-N 313.321 -0.939 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)CN(C)CC(C)(C)C)C1 1045554505 FJKVJQOWXIJIAY-GFCCVEGCSA-N 324.425 -0.187 30 20 DBED COc1cccc(C(=O)NCC2(O)CN(C(=O)[C@H](C)C#N)C2)n1 1045655398 KHJYTNYKKVFRMM-SNVBAGLBSA-N 318.333 -0.447 30 20 DBED C=CCN1CC[C@H](NC[C@]2(C)CCN(C(=O)C(N)=O)C2)C1=O 1046903161 OPWIMNOEQJNOCY-NHYWBVRUSA-N 308.382 -0.913 30 20 DBED C#CCN1C[C@H]2C[C@@H](NC(=O)Cn3ncn(C)c3=O)C[C@H]1C2 1047097056 IOAQUSZNZRQMGS-YNEHKIRRSA-N 303.366 -0.816 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2cn(C)ccc2=O)C1 1047453115 MYBYCPMAZVRMSD-ZFWWWQNUSA-N 303.362 -0.474 30 20 DBED C#CCCN1CCOC[C@@H]1CNC(=O)[C@@H]1CN(C(C)C)CCO1 1051080824 FASWYQRQCDFDEB-HOTGVXAUSA-N 323.437 -0.064 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)[C@H]1CCCCN1C(N)=O 1051202143 ZTWFVGJSVZZBOO-QWHCGFSZSA-N 308.382 -0.630 30 20 DBED C#Cc1cncc(C(=O)N2CC[C@H]([C@H](C)NC(=O)C(N)=O)C2)c1 1051551122 RXGMGFDYBDBQTM-JQWIXIFHSA-N 314.345 -0.485 30 20 DBED N#Cc1nccnc1N1CC[C@H](NC(=O)c2cnco2)[C@@H](O)C1 1051753844 IXWWYGMFZKNBID-ONGXEEELSA-N 314.305 -0.294 30 20 DBED C=CCN1CCN([C@@H]2CCN(C(=O)c3ncn(C)n3)C2)CC1 1052023864 ZDCWFFABNUGFCX-CYBMUJFWSA-N 304.398 -0.167 30 20 DBED N#CCN1CCN([C@H]2CCN(C(=O)c3cccnn3)C2)CC1 1052099974 VXXCXSZQPLWRIT-ZDUSSCGKSA-N 300.366 -0.168 30 20 DBED N#CCN1CCN([C@H]2CCN(C(=O)[C@@H]3CCC(=O)N3)C2)CC1 1052110487 RJVLTUOTLIUARO-STQMWFEESA-N 305.382 -0.993 30 20 DBED C#CCN1CCC[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)CC1 1052428996 LCYFJNBPSVONKA-ZDUSSCGKSA-N 318.377 -0.849 30 20 DBED C#CCN1CC2(C1)CN(C(=O)Cc1cn(CC)nn1)CCO2 1053353329 LOUHNHOVOPFJBX-UHFFFAOYSA-N 303.366 -0.613 30 20 DBED C[C@@H](CC(=O)N1CCOC2(CN(CC#N)C2)C1)N1CCCC1=O 1053506503 IIGASNREEMRFOU-ZDUSSCGKSA-N 320.393 -0.176 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)C[C@@H]3COC(=O)C3)CO2)C1 1053777615 NOISXPBPPUMZHG-STQMWFEESA-N 306.362 -0.078 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)[C@H]3CCCC(=O)N3)CO2)C1 1053842549 OYDTUQPNKVTZHX-CHWSQXEVSA-N 305.378 -0.362 30 20 DBED CC(=O)N1CCC[C@H]1C(=O)N[C@@H]1COC2(C1)CN(CC#N)C2 1053986954 YMNIAJVJOSJBRR-STQMWFEESA-N 306.366 -0.520 30 20 DBED N#CCSCC(=O)N1CCC[C@](CO)(NC(=O)C(F)F)C1 1055678999 AFJPCWDLDGYQCV-LBPRGKRZSA-N 321.349 -0.022 30 20 DBED N#Cc1ccc(N2C[C@H]3C(NC(=O)Cc4cnc[nH]4)[C@@H]3C2)nn1 1056427905 AIVVTDPRUWEILR-VXGBXAGGSA-N 309.333 -0.135 30 20 DBED C[C@@H](C(=O)N1CC[C@@H](Nc2nccnc2C#N)C1)S(C)(=O)=O 1056816757 OAPWGFJVYDEHSN-VHSXEESVSA-N 323.378 -0.206 30 20 DBED C=CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)c1cn[nH]c1 1057076286 BSCXLECOIMIPNX-NSHDSACASA-N 310.354 -0.449 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)[C@H]1CCN(C)C1 1057197859 DHUJINXVKYJLMD-ZDUSSCGKSA-N 313.398 -0.922 30 20 DBED C#CCNC(=O)CC(=O)N(CCO)CCNC(=O)C1CCCC1 1057391746 KTHJJXDGNSFPRB-UHFFFAOYSA-N 323.393 -0.747 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)c1cn(CC)nn1 1057441984 QRAHHKYDMNIWNJ-UHFFFAOYSA-N 321.381 -0.348 30 20 DBED C=C[C@@](C)(O)CC(=O)N(CCO)CCNC(=O)c1cc[nH]c1 1057451314 IVTPIGUMQQKJGS-OAHLLOKOSA-N 309.366 -0.108 30 20 DBED C=CCCCC(=O)NCCN(CCO)C(=O)c1ncn(C)n1 1057497973 JGJQNFYODSMYHP-UHFFFAOYSA-N 309.370 -0.278 30 20 DBED C#CCO[C@H](C)C(=O)N(CCO)CCNC(=O)C#CC1CC1 1057583452 PZLZYRCCUZTITQ-CYBMUJFWSA-N 306.362 -0.625 30 20 DBED C#CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)C(C)(C)F 1057583674 WTKHQRLWSUGNND-NSHDSACASA-N 302.346 -0.290 30 20 DBED CCO[C@@H](C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N)C1CC1 1057670147 QWUQBWBDMVCXRR-WCQYABFASA-N 311.382 -0.102 30 20 DBED C#CCO[C@H](C)C(=O)NCCN(CCO)C(=O)c1cnco1 1058196215 IVUIUPJIVVLRJN-LLVKDONJSA-N 309.322 -0.736 30 20 DBED Cc1cc(C#N)nc(N2CC[C@H](NC(=O)[C@@H]3CCC(=O)N3)C2)n1 1058408573 LNILUDPILKMZPV-JQWIXIFHSA-N 314.349 -0.370 30 20 DBED Cc1nn(C)cc1C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N 1058653031 KTCMTOYCXHGZHI-JTQLQIEISA-N 307.354 -0.561 30 20 DBED N#Cc1nc(=N[C@H]2CCN(C(=O)[C@H]3CCNC(=O)C3)C2)cc[nH]1 1058872451 PZYAEKLMLYHKJB-QWRGUYRKSA-N 314.349 -0.691 30 20 DBED C#CCO[C@H](C)C(=O)NCC[C@H]1CCN(C(=O)CC(N)=O)C1 1059380407 CWQVUKKKRNPNGN-NEPJUHHUSA-N 309.366 -0.745 30 20 DBED CS(=O)(=O)CC(=O)N1CC[C@@H](CN=c2cc[nH]cc2C#N)C1 1060825046 NJPJREGEDDQLFK-NSHDSACASA-N 322.390 -0.320 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)CNC(=O)C1CC1 1061345519 IJTODCOFDBAEQQ-JQWIXIFHSA-N 322.365 -0.984 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@H]1COCCN1C(=O)c1ncc[nH]1 1061541798 DJLKTGLSXJTVPK-IAQYHMDHSA-N 322.365 -0.306 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)CC1(O)CCC1 1061846779 HIFQHFJDGXCVHT-NEPJUHHUSA-N 309.366 -0.205 30 20 DBED CC(C)C#CC(=O)NC1(CNC(=O)Cn2cnnn2)CCC1 1062499693 TUYAGFWXICGOPZ-UHFFFAOYSA-N 304.354 -0.512 30 20 DBED N#Cc1nc(=NCC[C@H]2CCCN(C(=O)C(N)=O)C2)cc[nH]1 1063292337 DUWHPZKWUYGUNT-SNVBAGLBSA-N 302.338 -0.704 30 20 DBED N#Cc1ccc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)Cn2ncnn2)cn1 1064298120 SPVNYXBBAXPTBO-LJWDBELGSA-N 310.321 -0.667 30 20 DBED CN1CCC[C@@H]1C(=O)N1CCO[C@@H](CNC(=O)C#CC2CC2)C1 1064977233 CYQYEEOZXNKAPM-LSDHHAIUSA-N 319.405 -0.162 30 20 DBED C#CCCCCC(=O)N1CCO[C@@H](CNC(=O)CC(=O)NC)C1 1065061586 SSFNLCHVJVJELR-ZDUSSCGKSA-N 323.393 -0.340 30 20 DBED C=CCC1(C(=O)N2CCO[C@@H](CNC(=O)C(N)=O)C2)CCC1 1065582243 YJHZBBQHOOTRDY-NSHDSACASA-N 309.366 -0.438 30 20 DBED C=CCOCC(=O)N[C@@H]1CCCN(C(=O)c2nnn(C)n2)CC1 1065981031 KNUNTIWUNWZPRP-LLVKDONJSA-N 322.369 -0.476 30 20 DBED C[C@H](C#N)C(=O)N(C)CCCN(C)C(=O)Cn1ncn(C)c1=O 1067719966 LXHGNWLBTDRYTG-LLVKDONJSA-N 322.369 -0.952 30 20 DBED Cc1cc(C#N)nc(NC[C@H]2C[C@@H](C)N(C(=O)C(N)=O)C2)n1 1068369794 ZTGRAOSIRVETRF-NXEZZACHSA-N 302.338 -0.209 30 20 DBED O=C(C#CC1CC1)N[C@H]1COC2(C1)CN(C(=O)c1cnn[nH]1)C2 1068862252 AUHWQSDBPONZLV-LLVKDONJSA-N 315.333 -0.682 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCCN(C(=O)c2cn[nH]c2)C1 1070473375 YCUFFEOMHFAZBE-GFCCVEGCSA-N 317.349 -0.730 30 20 DBED C#CCOCCC(=O)N1CCC[C@@H](NC(=O)c2[nH]nnc2C)C1 1070730247 AGJZQGNIPWDORG-GFCCVEGCSA-N 319.365 -0.126 30 20 DBED N#CCN1CCNC(=O)CCN(C(=O)C2CCOCC2)CC1 1070931109 FOCQVNDEIHUICA-UHFFFAOYSA-N 308.382 -0.413 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)c2[nH]c(O)nc2C)CC1 1070971933 ZXIMOYZEAICLDW-UHFFFAOYSA-N 319.365 -0.679 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1C 1071556742 LTOPGBIDYNMAAE-VXGBXAGGSA-N 304.354 -0.704 30 20 DBED C=CCCOCC(=O)N1C[C@@H](C)[C@@H](NC(=O)CNC(N)=O)C1 1072329194 HUFKRRRSUAOICY-MNOVXSKESA-N 312.370 -0.790 30 20 DBED CNC(=O)NCC(=O)N1CC[C@@H](NC(=O)[C@@H](C)C#N)C(C)(C)C1 1073487520 UHMYQXZIXDPVRU-WDEREUQCSA-N 323.397 -0.182 30 20 DBED Cc1c(C(=O)N2CC[C@@H]3OCCN(CC#N)[C@H]3C2)nnn1C 1074196061 FXVYIQWQFSYLDM-RYUDHWBXSA-N 304.354 -0.438 30 20 DBED CC#CCN1CCO[C@H]2CCN(C(=O)c3cnn(C)n3)C[C@@H]21 1074360178 MAZHNCKKDVUMCO-KBPBESRZSA-N 303.366 -0.246 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H](C)CCNC(=O)CCn1cncn1 1075641947 HABKRFZGCKQJTP-STQMWFEESA-N 321.381 -0.283 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)c1nonc1C 1076219814 CLVXUORFQINZOG-VIFPVBQESA-N 321.337 -0.858 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCN(C)C(=O)C2)C1 1077245648 DBGPMXPDFNCZAF-QJPTWQEYSA-N 315.801 -0.231 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN(Cc3cn(C)nn3)C[C@H]2O)C1 1077641868 LJROVRGUDWVOQM-CHWSQXEVSA-N 305.382 -0.167 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H](C)CCNC(=O)CCc1cnn[nH]1 1078527881 FUPLUMBDJZIPLJ-NWDGAFQWSA-N 321.381 -0.213 30 20 DBED C#CCCN1C[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)[C@H](C)C1 1080771360 GDSKOHPPAUXHKA-VXGBXAGGSA-N 306.366 -0.660 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2cnco2)C[C@@H]1O 1081346936 ORMCIYHCYUSPMA-QWRGUYRKSA-N 309.322 -0.574 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(C(=O)Cn2cccn2)C[C@H]1O 1081469696 ZZGOTEUIAIUJTK-ZIAGYGMSSA-N 316.361 -0.768 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)C2(C(=O)NC)CC2)C1 1081594121 AUKAUZDKCVVTOT-VXGBXAGGSA-N 323.393 -0.586 30 20 DBED C=CCCCC(=O)N1C[C@H](CNC(=O)c2cnon2)[C@@H](O)C1 1081682112 LREDJYXZIDWSDV-JQWIXIFHSA-N 308.338 -0.025 30 20 DBED CC#CCN1C[C@@H](NC(=O)c2ccc3nnnn3c2)[C@H](OC)C1 1081940282 FTKHOOVBBSAIOD-CHWSQXEVSA-N 314.349 -0.423 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@H]1CCc2n[nH]cc2C1 1082324345 LHWQDMCJKNVHSE-ZLKJLUDKSA-N 303.366 -0.146 30 20 DBED CN(C[C@@H]1CCN1CC#N)C(=O)C1CC2(C1)CS(=O)(=O)C2 1085669927 KBVSOFAEQWQYCT-LBPRGKRZSA-N 311.407 -0.133 30 20 DBED CCN(c1ccnc(C#N)n1)[C@H](C)CNC(=O)[C@@H]1CNC(=O)N1 1089728239 GWLZEPUVBRAOJZ-ZJUUUORDSA-N 317.353 -0.639 30 20 DBED CCN(c1ncccc1C#N)[C@H](C)CNC(=O)[C@H]1CNC(=O)N1 1089728961 VQVUENFFENWICY-ZYHUDNBSSA-N 316.365 -0.034 30 20 DBED CC(C)Oc1cnc(C(=O)N[C@H]2CCN(CC#N)C[C@@H]2O)cn1 1090270790 ZSVCPKKUTNKEHP-AAEUAGOBSA-N 319.365 -0.048 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1O 1090407755 BDFDTJOAWZUBAX-LALPHHSUSA-N 317.349 -0.659 30 20 DBED C[C@H](CC(N)=O)C(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1O 1090513377 YMOWCVMFMDOQNV-YUSALJHKSA-N 317.349 -0.870 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2cnn(CCN(C)C)c2)[C@H](O)C1 1090637268 JGGJIMUQBPVFPE-HUUCEWRRSA-N 319.409 -0.757 30 20 DBED C[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1NC(=O)C(C)(C)C(N)=O 1090780638 LKKFXSJLLSZZHC-MWLCHTKSSA-N 316.365 -0.199 30 20 DBED COC[C@@H](C)C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1091088324 AJBCMDZTVXIJAX-JLLWLGSASA-N 305.338 -0.704 30 20 DBED CNS(=O)(=O)CC(=O)N1CCN(c2ccncc2C#N)CC1 1093159208 BJIQVBVUDHFHBJ-UHFFFAOYSA-N 323.378 -0.849 30 20 DBED N#Cc1ccc(NCCNC(=O)CC2CS(=O)(=O)C2)nn1 1093963461 MTMAXEIDHCKGGP-UHFFFAOYSA-N 309.351 -0.689 30 20 DBED CCS(=O)(=O)CC(=O)NCCCN=c1cc[nH]c(C#N)n1 1094455739 FSNIUGJJKYBQET-UHFFFAOYSA-N 311.367 -0.877 30 20 DBED N#CCN1CCN(C(=O)[C@@H]2CC2(F)F)[C@@H]2CS(=O)(=O)C[C@@H]21 1094630785 CHBCGGWYPMUWHP-LPEHRKFASA-N 319.333 -0.525 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)c3cnsn3)CC2=O)C1 1094708254 YHOQDTPPZNUKGO-VIFPVBQESA-N 305.363 -0.814 30 20 DBED CNC(=O)CC(=O)N(C)C1CCN(c2cnc(C#N)cn2)CC1 1096108098 KOAJLSRIGZPQJG-UHFFFAOYSA-N 316.365 -0.088 30 20 DBED COCC(=O)NCCN1CCN(c2ncccc2C#N)CC1 1096266306 JYVAWLYCZLMGKU-UHFFFAOYSA-N 303.366 -0.162 30 20 DBED CNC(=O)CC(=O)NC[C@H](N=c1cc[nH]cc1C#N)C1CC1 1096652233 VSSVSTIMJVOYFM-ZDUSSCGKSA-N 301.350 -0.182 30 20 DBED N#Cc1nc(=N[C@H](CNC(=O)Cn2nccn2)C2CC2)cc[nH]1 1096736642 RKTFMMIGNYANSD-LLVKDONJSA-N 312.337 -0.631 30 20 DBED CCCC(=O)NCC(=O)NC[C@@H](C)N=c1cc[nH]c(C#N)n1 1097699818 PVIPHQKMSJQRBN-SNVBAGLBSA-N 304.354 -0.397 30 20 DBED C[C@H](CNC(=O)CCN1CCOCC1)Nc1nccnc1C#N 1097945628 RLPJINLSXDPCKL-GFCCVEGCSA-N 318.381 -0.013 30 20 DBED COCC(=O)N[C@H](C)C(=O)NC[C@@H](C)N=c1cc[nH]cc1C#N 1098343133 WTYGIDZASHKLHN-GHMZBOCLSA-N 319.365 -0.557 30 20 DBED COc1cc(C(=O)N2CCC(N(CC#N)CCO)CC2)ncn1 1098367984 WSBDDEGCYJGOCO-UHFFFAOYSA-N 319.365 -0.092 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CCC[C@H](N=c2cc[nH]c(C#N)n2)C1 1098586015 YZDXGNJTYINBAF-NWDGAFQWSA-N 316.365 -0.254 30 20 DBED C[C@H](CCNC(=O)C1CS(=O)(=O)C1)Nc1nccnc1C#N 1099522286 RNGYGQYQGUXNIU-SECBINFHSA-N 323.378 -0.300 30 20 DBED C[C@H](CCNC(=O)[C@@H]1CN(C)C(=O)N1)Nc1cncc(C#N)n1 1099616274 GMEOKTCDAFABHC-KOLCDFICSA-N 317.353 -0.321 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)C2CCCCC2)[C@H](O)C1 1099622721 CGOTUEDNLNLFRK-LSDHHAIUSA-N 321.421 -0.133 30 20 DBED CNC(=O)NCC(=O)NCC[C@H](C)N=c1cc(C)[nH]cc1C#N 1099748122 PZSHYPVUMCYGEN-JTQLQIEISA-N 318.381 -0.081 30 20 DBED CN(CCNC(=O)[C@@H]1COCCN1C)c1nccnc1C#N 1100028065 DSGAHGMJYHPYSX-LBPRGKRZSA-N 304.354 -0.769 30 20 DBED N#CCN1CC[C@H](NC(=O)CCNC(=O)C2CCC2)[C@@H](O)C1 1100032483 WETADODPFPNEGN-STQMWFEESA-N 308.382 -0.632 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2c(C)n[nH]c2C)[C@H](O)C1 1100038086 DEOXFPGDKWOOKZ-ZIAGYGMSSA-N 320.393 -0.159 30 20 DBED C#CCCN1CC[C@H](NC(=O)C(=O)NCC(F)(F)F)[C@@H](O)C1 1100052885 GJGNXSBGGTXWRB-UWVGGRQHSA-N 321.299 -0.760 30 20 DBED CC#CCN1CC[C@H](NC(=O)CCC(=O)NCCC)[C@H](O)C1 1100078054 CKJYZVJXGWQGFG-UONOGXRCSA-N 309.410 -0.133 30 20 DBED C=CCNC1CC(CNC(=O)[C@H](C)NS(=O)(=O)CC)C1 1100351008 IBACNUZCZZZYSU-UNXYVOJBSA-N 303.428 -0.015 30 20 DBED C=CCNC1CC(CNC(=O)CNS(=O)(=O)N(C)C)C1 1100716177 AIVQVYFGOPYSRN-UHFFFAOYSA-N 304.416 -0.947 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)C[C@H](C)COC)C1 1100808768 JDQSQUDHBUQVON-HSBZDZAISA-N 309.410 -0.107 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CN(CCN2C(=O)CCC2=O)C[C@H]1C 1101827889 PQMWJRSRFQDCPJ-YNEHKIRRSA-N 320.393 -0.021 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)C[C@](C)(O)C=C)C1 1101917022 VXGBJGLLJFBUJX-CKEIUWERSA-N 321.421 -0.253 30 20 DBED CNC(=O)NCC(=O)NC[C@@H]1CN(CC#CCOC)C[C@H]1C 1102023765 IUPXXAAJUVKWGF-CHWSQXEVSA-N 310.398 -0.751 30 20 DBED C=CCN1C[C@@H](C)[C@H](CNC(=O)CNC(=O)Cn2cncn2)C1 1102596759 WTTCJMXDRBHCFH-CHWSQXEVSA-N 320.397 -0.736 30 20 DBED C=CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)CCCC(N)=O)C1 1102615900 XCLMQBVUMMSKIT-CHWSQXEVSA-N 324.425 -0.372 30 20 DBED CC(=O)N[C@H](C)C(=O)N(C)[C@H]1CCN(c2cncc(C#N)n2)C1 1102667946 AQGTULCPWMOFSB-MFKMUULPSA-N 316.365 -0.090 30 20 DBED COCC#CCN1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2COC(=O)N2)C1 1102936158 CNLHTHXWKILXNG-MCIONIFRSA-N 323.393 -0.181 30 20 DBED C[C@@](CN=c1cc[nH]c(C#N)n1)(NC(=O)CC(N)=O)C1CC1 1103507243 TYYSMDAMVDCUJI-AWEZNQCLSA-N 302.338 -0.658 30 20 DBED C[C@H](CNC(=O)Cn1cnnn1)CNc1ncccc1C#N 1103852415 WVBISYQBMLBKJC-SNVBAGLBSA-N 300.326 -0.196 30 20 DBED CC(C)[C@H](CNC(=O)[C@@H]1CCC(=O)N1)N=c1cc[nH]c(C#N)n1 1105206886 XJZMGULCKIDETQ-QWRGUYRKSA-N 316.365 -0.399 30 20 DBED C#CCCCC(=O)N1CC(n2cc(CNC[C@@H](C)O)nn2)C1 1105225267 OPISMGIKEQEBNG-GFCCVEGCSA-N 305.382 -0.065 30 20 DBED CC(C)[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)Nc1cncc(C#N)n1 1105277702 JRAGDCXHOVZEQT-MNOVXSKESA-N 317.353 -0.418 30 20 DBED C=C[C@H](CC)CC(=O)N1CC(n2cc(CNCC(N)=O)nn2)C1 1105310155 QWCXYVSAUIFLQK-LLVKDONJSA-N 320.397 -0.161 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H](O)CNC(=O)c1cnns1 1105723688 VCLQMKNVAMZFEK-SECBINFHSA-N 304.335 -0.571 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)c2c[nH]c(C#N)c2)nn1 1105830899 QMFBZLUDINREBO-LBPRGKRZSA-N 311.305 -0.249 30 20 DBED CC(C)[C@@H](O)C(=O)NC[C@@H](O)CNc1ncc(C#N)cc1F 1105839465 WCQMBCBIJURYDF-CMPLNLGQSA-N 310.329 -0.002 30 20 DBED C=CCNC(=O)[C@@H](C)NC[C@@H]1CN(C(=O)CC(=O)NC)C[C@H]1C 1106047028 CLDZUVHFKYJJGF-JHJVBQTASA-N 324.425 -0.503 30 20 DBED N#Cc1cnc(NC[C@H](O)CNC(=O)c2csnn2)cn1 1106053581 CORYHQSGUITFSP-QMMMGPOBSA-N 305.323 -0.597 30 20 DBED C[C@@H](CCNc1cncc(C#N)n1)NC(=O)[C@H]1COC(=O)N1 1106314019 UPXABTWNBKJXGV-WCBMZHEXSA-N 304.310 -0.237 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)Cc1nonc1C 1106834118 VQQBOAUUVIIJSZ-UHFFFAOYSA-N 315.337 -0.035 30 20 DBED CN1C[C@@H](C(=O)NC/C=C/CN=c2cc[nH]cc2C#N)NC1=O 1107450595 GTQWRIVHKRTYQC-IBUXWKBASA-N 314.349 -0.517 30 20 DBED C[C@H](CNc1cncc(C#N)n1)NC(=O)c1cnn(C)c1N 1107690325 UIBCGJWHMSIOIA-MRVPVSSYSA-N 300.326 -0.106 30 20 DBED CC#CCN1CCO[C@@](C)(CNC(=O)C2CS(=O)(=O)C2)C1 1107969466 OJMOMNUTXUKQEJ-AWEZNQCLSA-N 314.407 -0.739 30 20 DBED C=C(C)CCN1CCO[C@](C)(CNC(=O)c2nnn(C)n2)C1 1108136961 VYSGIDCYAVQGID-CQSZACIVSA-N 308.386 -0.003 30 20 DBED CC#CCN1CC(N2C[C@@H](NC(=O)CN(CC)CC)CC2=O)C1 1108581302 NGMPWKWDPPUOQA-AWEZNQCLSA-N 320.437 -0.247 30 20 DBED C[C@H](CN(C)c1cncc(C#N)n1)NC(=O)[C@@H]1CCC(=O)NC1 1109305955 WSLVQEXAIWAIHB-GHMZBOCLSA-N 316.365 -0.185 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H](NC(=O)Cn1cnnn1)C1CC1 1109775475 LASCGHRIWZFWDZ-ZDUSSCGKSA-N 312.337 -0.631 30 20 DBED C[C@]1(NC(=O)Cn2cncn2)CCN(c2ccc(C#N)nn2)C1 1110760894 YBLFFXCOUQQIGE-AWEZNQCLSA-N 312.337 -0.275 30 20 DBED C#CCOCCC(=O)N(CCO)CCNc1nccnc1C#N 1111510971 RNRUCFJDGLHKBL-UHFFFAOYSA-N 317.349 -0.379 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CCCN(c2ccnc(C#N)n2)CC1 1111965340 XZWCZVJVQMZHPQ-GFCCVEGCSA-N 316.365 -0.041 30 20 DBED CNC(=O)CC(=O)N[C@H]1CCN(c2cnc(C#N)cn2)[C@@H](C)C1 1112470482 XFLKMTVMSDFIEF-QWRGUYRKSA-N 316.365 -0.042 30 20 DBED C[C@H](CC(=O)NC[C@@H](C)N(C)c1cnc(C#N)cn1)NC(N)=O 1113719650 IMZMPMZQSSAOLD-NXEZZACHSA-N 319.369 -0.264 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)c3cn[nH]c3)[C@H]2C1 1113916088 LFUPBKGPXQICRE-FTYKPCCVSA-N 303.366 -0.240 30 20 DBED CNC(=O)NCC(=O)NC[C@@H](C)N(C)c1ccc(C#N)cn1 1113939469 ZGFDNUDOWHFQQH-SNVBAGLBSA-N 304.354 -0.177 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)c3cnc(C)[nH]3)[C@@H]2C1 1114038369 PIYXOPONFZYYCO-GHMZBOCLSA-N 301.350 -0.872 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)C[C@@](C)(O)C=C)[C@H]2C1 1114193897 ISWFKHJAUHYGCK-OJDYBEQGSA-N 305.378 -0.891 30 20 DBED C=C(Cl)CN1C[C@H]2[C@H](NC(=O)[C@@H](C)NC(=O)COC)[C@H]2C1 1114321458 NJOXYOGHWGQPNT-DCQANWLSSA-N 315.801 -0.064 30 20 DBED N#CCNC(=O)CN1C[C@H]2C(NC(=O)C3(C4CC4)CC3)[C@@H]2C1 1114436122 AIMXGWNGFXAGRN-VXGBXAGGSA-N 302.378 -0.137 30 20 DBED C=CCCN1C[C@@H]2C(NC(=O)CCc3nnc(O)nc3O)[C@H]2C1 1114512560 BWOURSUYXFSUHM-UWVGGRQHSA-N 319.365 -0.162 30 20 DBED Cc1conc1C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1115075106 ZASWKZYGZCMADP-IWIIMEHWSA-N 303.322 -0.717 30 20 DBED COCC#CCN1C[C@@H]2C(NC(=O)COCCCOC)[C@H]2C1 1115094884 BHBVNLMPNCYXAC-KBPBESRZSA-N 310.394 -0.264 30 20 DBED CCOCCOCC(=O)NC1[C@@H]2CN(CC#CCOC)C[C@@H]12 1115308365 AFUIYROUPOQPIS-ZIAGYGMSSA-N 310.394 -0.264 30 20 DBED N#CCN1C[C@H]2[C@H](NC(=O)CCNC(=O)[C@@H]3CCCO3)[C@H]2C1 1115350340 RKKFDTGZZVKJMB-KZVDOYCCSA-N 306.366 -0.758 30 20 DBED C#CCSCCNC(=O)C(=O)NCc1cnc(N(C)C)n1C 1117340296 UMDAOTHJUKRAKF-UHFFFAOYSA-N 323.422 -0.415 30 20 DBED C[C@H](CO[C@H]1CCOC1)NC(=O)C(=O)N1CCO[C@H](C#N)C1 1117489749 ZFMXJLBUZRRMSQ-GRYCIOLGSA-N 311.338 -0.952 30 20 DBED C#CCNC1CC2(C1)CC(NC(=O)CCS(=O)(=O)NC)C2 1121106873 HIWUYUCCIOPDJY-UHFFFAOYSA-N 313.423 -0.424 30 20 DBED C#CCNC1CC2(C1)CC(NC(=O)[C@H](C)NC(=O)COC)C2 1121155329 AJKINDYSMWWZPQ-KWDKGFIESA-N 307.394 -0.212 30 20 DBED Cn1ccc(C(=O)NC[C@@H](CO)Nc2cnc(C#N)cn2)c1 1121296043 QIQPNDNGFKHOKA-LBPRGKRZSA-N 300.322 -0.110 30 20 DBED N#Cc1cncc(N[C@@H](CO)CNC(=O)C[C@@H]2COC(=O)C2)n1 1121302930 JLPXKZFRMXOQPS-GXSJLCMTSA-N 319.321 -0.810 30 20 DBED N#Cc1cnc(N[C@H](CO)CNC(=O)c2ccnc(O)c2)cn1 1121311079 NVIFMWQVWOWSRQ-NSHDSACASA-N 314.305 -0.348 30 20 DBED Cc1cnoc1C(=O)NC[C@H](CO)Nc1cncc(C#N)n1 1122003534 LFEJQUDNMJEUFM-SNVBAGLBSA-N 302.294 -0.153 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H](CO)Nc1ccc(C#N)nn1 1122037653 YBRRCJFWGMMNFY-ZYHUDNBSSA-N 303.322 -0.724 30 20 DBED COCC1(C(=O)NC[C@@H](CO)N=c2cc[nH]c(C#N)n2)CCC1 1122259456 CKOURNDGFCKRPD-NSHDSACASA-N 319.365 -0.524 30 20 DBED CC(=O)NCC(=O)N1CC[C@H](Nc2cnc(C#N)cn2)[C@H]1C 1122905119 XHFLJARMJHICBO-SKDRFNHKSA-N 302.338 -0.114 30 20 DBED CN(C[C@H](O)CNc1ncccc1C#N)C(=O)CCCC(N)=O 1124394340 UEIKZPQGQXFYKU-GFCCVEGCSA-N 319.365 -0.160 30 20 DBED N#CCSCC(=O)N1C[C@H](n2ccnn2)[C@H](NCCF)C1 1129604009 TVPFKRGDSAAALH-MNOVXSKESA-N 312.374 -0.154 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1cnc(Cl)n1C 1131335056 YYOJHQYMGICXJE-SECBINFHSA-N 311.773 -0.469 30 20 DBED COCCOCC(=O)N1C[C@H](C)O[C@@]2(CCN(CC#N)C2)C1 1131641966 KIFBCGVKZNWCEP-DZGCQCFKSA-N 311.382 -0.135 30 20 DBED C[C@H]1CC[C@H](NC(=O)c2cnnn2C)CN1CC(=O)NCC#N 1132005767 CAMVRAASXFAYJS-QWRGUYRKSA-N 319.369 -0.962 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1cc(OC)ccn1 1132236344 HJJIWDAZILKRMW-NSHDSACASA-N 304.350 -0.453 30 20 DBED CNC(=O)CC(=O)N1CC[C@H](C)[C@@H](CNCC#CCOC)C1 1132774291 ZTDNKCCOUIYAEC-KBPBESRZSA-N 309.410 -0.154 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)CN2CCOCC2=O)CC[C@H]1C 1132900181 CBHZZSKSXKJGHL-HUUCEWRRSA-N 321.421 -0.057 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1ccc2nonc2c1 1133203693 SUCFQWAJSDBWCR-UHFFFAOYSA-N 301.306 -0.708 30 20 DBED Cc1cnc(C(=O)N[C@@H](C)C[C@H](C)NCC(=O)NCC#N)cn1 1133579066 XTNFRKYDWDQDMG-QWRGUYRKSA-N 318.381 -0.089 30 20 DBED C#CCCN[C@H](C)C[C@H](C)NC(=O)c1cnc(O)n(C)c1=O 1135167486 UYHXXIINRRCXSU-MNOVXSKESA-N 306.366 -0.004 30 20 DBED C=C(C)CCNCCNC(=O)Cn1[nH]cc2c(=O)ncnc1-2 1135465464 GXXOSQMUSRJTHG-UHFFFAOYSA-N 304.354 -0.257 30 20 DBED COCC#CCN[C@@H](C)C[C@@H](C)NC(=O)CN1C(=O)CCC1=O 1146193549 PHCBZASAJLGPRV-QWHCGFSZSA-N 323.393 -0.342 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC2(CCN(C[C@@H](O)COC)C2)C1 1147530261 HVNSRIKOARSRAD-UONOGXRCSA-N 310.394 -0.434 30 20 DBED C#CCOc1ncccc1C(=O)NCCNC[C@H](O)COC 1148302556 QBUONZYZUSOGQF-LBPRGKRZSA-N 307.350 -0.580 30 20 DBED C=CCN1CCCO[C@H](CNC(=O)CC[C@H]2NC(=O)NC2=O)C1 1150684867 CCWCGFUJLXNTEY-VXGBXAGGSA-N 324.381 -0.632 30 20 DBED C=CCNC(=O)CN(CC)[C@H](C)CNC(=O)CNC(=O)CC 1152443907 HHOPPWXGBDLUDU-GFCCVEGCSA-N 312.414 -0.359 30 20 DBED CCN(CC#N)[C@H](C)CNC(=O)[C@H](C)NS(=O)(=O)CC 1153492342 YGVHKRCZAHESAV-MNOVXSKESA-N 304.416 -0.336 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)c1cc[n+]([O-])cc1 1154386565 PJSIWYQFCVSVRQ-GFCCVEGCSA-N 306.366 -0.280 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)c1n[nH]c(C)c1O 1156633844 CSKIJEPHAYRGKW-JTQLQIEISA-N 307.354 -0.729 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)C12CCCN1CCC2 1161796034 XURUSRGBDIAIRQ-CQSZACIVSA-N 320.437 -0.151 30 20 DBED C#CCNCCCC[C@@H](C)NC(=O)c1cn(C)c(=O)nc1O 1176547902 RARAXASMMMTSCG-LLVKDONJSA-N 306.366 -0.003 30 20 DBED CC#CCN1CCO[C@H]2CCN(C(=O)CCNC(N)=O)C[C@H]21 1177142953 ABZPDNWEFUKNEG-OLZOCXBDSA-N 308.382 -0.630 30 20 DBED N#CCNC[C@H]1C[C@H]2CC[C@H]1N(C(=O)C1CS(=O)(=O)C1)C2 1177762508 ZIQZRRFTTXXQGS-NQBHXWOUSA-N 311.407 -0.229 30 20 DBED C#CCCNCCCCCCNC(=O)CNS(=O)(=O)NC 1179138979 GJLNYQLOORGDCR-UHFFFAOYSA-N 318.443 -0.670 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)COCC(F)F)C1 1184542852 ABDGCNWQZMBXJE-SNVBAGLBSA-N 303.309 -0.792 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)COc2cnn(C)c2)C1 1185189307 BOKVXZWBGGCAJF-CYBMUJFWSA-N 306.366 -0.361 30 20 DBED C[C@@H](CC(=O)N1CC[C@@H](NCC(=O)NCC#N)C1)n1ccnc1 1185959067 HMPBMKGTMDWMQX-QWHCGFSZSA-N 318.381 -0.336 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2cnn(CC)c2C)C1 1186519636 BHYBZUJUKZZCQT-CYBMUJFWSA-N 317.393 -0.235 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)[C@@H](OC)C3CC3)[C@@H]2C1 1187714393 PPMLGMDVNFPODP-LZWOXQAQSA-N 319.405 -0.307 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@H]1CCN(C(=O)CNC(=O)CC)C1 1189428923 RKNBLBUJLCUVBE-STQMWFEESA-N 322.409 -0.817 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)C[C@@](C)(O)C2CC2)C1 1189696521 ZNAAJJAWYIGFEB-RHSMWYFYSA-N 321.421 -0.180 30 20 DBED C=CCNC(=O)[C@@H](C)N(C)[C@H]1CCN(C(=O)CC(=O)NCC)C1 1189787669 PPDRTAPRZXQTQO-OLZOCXBDSA-N 324.425 -0.264 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC[C@@H](N(C)Cc2nnnn2C)C1 1189918329 PDJROWKGFCOYSX-BXUZGUMPSA-N 308.386 -0.430 30 20 DBED CCNC(=O)NC(=O)CN(C)[C@H]1CCN(C(=O)C#CC2CC2)C1 1190026305 ZCPMMENOUWESSS-ZDUSSCGKSA-N 320.393 -0.222 30 20 DBED COCC#CCN(C)[C@H]1CCN(C(=O)[C@@H]2CCC(=O)N2C)C1 1191797963 DFQOJTUJPJRUOV-KBPBESRZSA-N 307.394 -0.210 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2nnc(CC)o2)C[C@H]1O 1192892099 SRWKETHSMNMJLA-IJLUTSLNSA-N 322.365 -0.668 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)[C@H]2CCNC(=O)C2)CC1 1195474705 ZIKDGLNLZFIZHW-ZDUSSCGKSA-N 322.409 -0.651 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)[C@@H](C)NC(=O)CC)CC1 1195925742 HXJAXEAGDOYLEZ-CYBMUJFWSA-N 324.425 -0.262 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)C(C)(C)NC(C)=O)CC1 1197467963 UQEXEIDFZDJJDV-UHFFFAOYSA-N 324.425 -0.262 30 20 DBED C=CCN1CC[C@H](NC2CCN(C(=O)CNC(N)=O)CC2)C1=O 1199274050 HWPWXYBSRANCQV-LBPRGKRZSA-N 323.397 -0.978 30 20 DBED COCC#CCNC[C@H]1CN(C(=O)c2ncn(C)n2)CCCO1 1200435419 GPGVPWPMEDTIPA-ZDUSSCGKSA-N 321.381 -0.714 30 20 DBED CS(=O)(=O)CCC(=O)N1CCCO[C@H](CNCC#N)C1 1200824248 JWPJXDRCXOKIQV-LLVKDONJSA-N 303.384 -0.848 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)CCS(C)(=O)=O)CCCO1 1200824650 QQWIEIBMQYIZLT-CYBMUJFWSA-N 316.423 -0.349 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)c2cccnn2)CCCO1 1201701275 GEEAJKPYFCQZIN-CQSZACIVSA-N 318.377 -0.053 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)CCc2ncc[nH]2)[C@H](C)C1 1206919030 DZBRSCJDYAVZTA-CHWSQXEVSA-N 317.393 -0.472 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)Cc2n[nH]c(C)n2)C1 1208001813 JHJXAPKRUZSCKE-GFCCVEGCSA-N 320.397 -0.462 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)C1(NC(C)=O)CCCC1 1213561884 SVPVJKZMHNZOKP-CHWSQXEVSA-N 308.382 -0.226 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2cnccn2)C[C@H]1C 1214069718 BOVUBKBVAWODSG-MBNYWOFBSA-N 315.377 -0.335 30 20 DBED C=CCOCC(=O)N1CCO[C@@H]2CN(Cc3cnn(C)n3)C[C@@H]21 1217533624 YQDCWZLCYVXXTM-UONOGXRCSA-N 321.381 -0.571 30 20 DBED C=CCOCC(=O)N1CCO[C@@H]2CN([C@@H](CC)C(N)=O)C[C@@H]21 1217537995 MXJLYWSRSRRKEH-RWMBFGLXSA-N 311.382 -0.636 30 20 DBED C=CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)C[C@H](C)NC(N)=O 1217895751 UZJZNNLXEKARKG-RWMBFGLXSA-N 310.398 -0.079 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CN3CCC2CC3)C1 1219643540 XWXOUJRPIHDHGM-OAGGEKHMSA-N 323.437 -0.308 30 20 DBED CN(CC(=O)N[C@@H]1CN(CC#N)C[C@@H]1O)C(=O)c1cccs1 1219738255 BUPAQLQBFFVKBY-MNOVXSKESA-N 322.390 -0.495 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)c2ncn(C)n2)CC1 1223065870 SHYXBHDKQZQZLH-UHFFFAOYSA-N 318.381 -0.994 30 20 DBED C#CCO[C@H](C)C(=O)NC1CCN(Cc2cnnn2C)CC1 1227341777 BOYHQHIUNBQQCB-GFCCVEGCSA-N 305.382 -0.066 30 20 DBED C=CCCOCC(=O)NC1CCN(CC(=O)NC(N)=O)CC1 1230411877 VKOPCDGFPSZHCE-UHFFFAOYSA-N 312.370 -0.645 30 20 DBED C#CCC1(C(=O)N(C)C[C@H]2CCN2CC(N)=O)CCOCC1 1235142825 RIEMJJBYGDSKGM-CYBMUJFWSA-N 307.394 -0.176 30 20 DBED CC(C)[C@](C)(C#N)NC(=O)CN1CCC2(CC1)NC(=O)NC2=O 1253731526 UPIJUYLZHOJXEV-AWEZNQCLSA-N 321.381 -0.285 30 20 DBED C=C[C@@H](COC)NC(=O)C1=CC=CN2CCS(=O)(=O)N=C12 1255026087 OBAZXFATZQBXFK-JTQLQIEISA-N 311.363 -0.199 30 20 DBED C[C@H](CN1CCOCC1)NC(=O)C(=O)Nc1ccc(C#N)cn1 1261238874 VDMWGIVEYFLVNB-LLVKDONJSA-N 317.349 -0.271 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)c2cc(C)nn2CC)C1 1316988850 ZUMVIMKDMNIBQA-CYBMUJFWSA-N 317.393 -0.235 30 20 DBED C[C@@H](O)[C@@H]1CCCN(C(=O)C(=O)Nc2cnn(CC#N)c2)C1 1319461149 BWXBEKFXOSFJJM-GHMZBOCLSA-N 305.338 -0.035 30 20 DBED C=C(C)CS(=O)(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 1321014186 LDQBYIXROMUQNW-SNVBAGLBSA-N 324.424 -0.825 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)CC(=O)N3)CCO1 1322847295 STHZJQNSPGWUCZ-LLVKDONJSA-N 314.301 -0.129 30 20 DBED CC[C@H](C)NC(=O)CCNC(=O)C(=O)N1CC[C@@](F)(C#N)C1 1323453430 CRFYYOOIWIIZNK-IINYFYTJSA-N 312.345 -0.128 30 20 DBED N#CCCN1CCN(C(=O)C(=O)N2CC[C@](F)(C#N)C2)CC1 1330475467 CDHXFQOAJJPOSS-AWEZNQCLSA-N 307.329 -0.492 30 20 DBED C=CCN(C(=O)C(=O)N[C@@H]1CCN(C(C)=O)C1)[C@@H](C)COC 1331102208 XDIJMCJHWLGTSK-WCQYABFASA-N 311.382 -0.227 30 20 DBED C=CCn1cc(CNC(=O)C(=O)NCCN(C)C2CC2)nn1 1332026220 NATNBFZMKKBSQC-UHFFFAOYSA-N 306.370 -0.709 30 20 DBED CC(C)N(CCN(C)C)C(=O)C(=O)N1CC[C@](O)(CC#N)C1 1332371959 JOZHQGWLNWZMJN-OAHLLOKOSA-N 310.398 -0.338 30 20 DBED C[C@H](NC(=O)C(=O)N1CCC[C@@H](C#N)C1)[C@H](C)N1CCOCC1 1332670706 YGFWAQMVIVJUGN-IHRRRGAJSA-N 322.409 -0.026 30 20 DBED N#CCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1F 1335771899 IKYVKXTVKNHARJ-YPMHNXCESA-N 305.309 -0.030 30 20 DBED C=C(C)COCCn1nnnc1N1CCO[C@H](C(=O)NC)C1 1337280150 NZLGEMFPIRWCMC-NSHDSACASA-N 310.358 -0.783 30 20 DBED C#CCCn1nnnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1337416205 ZFXWTLLLDKAXCG-UHFFFAOYSA-N 303.326 -0.783 30 20 DBED C#C[C@H](NCC(=O)NC1CCN(C(C)=O)CC1)[C@H]1CCCO1 1338321054 YMGHHUJACRTPJO-LSDHHAIUSA-N 307.394 -0.116 30 20 DBED C#CCN(C)c1nnc([C@@H]2SCCNC2=O)n1CCOC 1341187307 JEYDWUPGTCDEIN-JTQLQIEISA-N 309.395 -0.102 30 20 DBED C#CC1(O)CCN(C(=O)NCCN2CCC3(C2)OCCO3)CC1 1349052227 MVUVDOHGARHTMV-UHFFFAOYSA-N 323.393 -0.395 30 20 DBED C=CCn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](C(N)=O)C1 1355929691 OEQJQYYRWYTYPU-MNOVXSKESA-N 307.354 -0.342 30 20 DBED C[C@H](C(=O)N1CCC(OCC(N)=O)CC1)n1cnc(C#N)n1 1362188759 PANGOXDAAHSWFB-SECBINFHSA-N 306.326 -0.796 30 20 DBED CCn1cc([C@H](C)NC(=O)Cn2cc(C#N)c(O)nc2=O)cn1 1362658777 JTRASRYDPLFTHE-VIFPVBQESA-N 316.321 -0.086 30 20 DBED N#CCc1ccc(C(=O)N2CCN(CC(N)=O)C(=O)C2)cc1 1363019301 LZCCAGZUCKOQRU-UHFFFAOYSA-N 300.318 -0.478 30 20 DBED Cn1cnc(NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)n1 1364090668 BRTZVAWKTWOIBJ-UHFFFAOYSA-N 320.334 -0.396 30 20 DBED CNC(=O)NCC(=O)N[C@H](CNC(=O)[C@H](C)C#N)C(C)(C)C 1371120908 XOFVSHDMPTUORV-NXEZZACHSA-N 311.386 -0.278 30 20 DBED N#Cc1ccc(C(=O)N[C@@H](CNC(=O)c2cnn[nH]2)C2CC2)[nH]1 1372394752 GYCDUYKOKMXDIK-NSHDSACASA-N 313.321 -0.057 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CCN(C(=O)c2ccc(C(N)=O)cn2)C1 1385847954 DJSMGMDMKWZCFO-ONGXEEELSA-N 315.333 -0.329 30 20 DBED C[C@@H](C#N)C(=O)N1CC(CNC(=O)COCc2nncn2C)C1 1387925657 FHQVUSQMZZYSQO-JTQLQIEISA-N 320.353 -0.934 30 20 DBED C[C@H](CNC(=O)[C@@H]1CCC(=O)N1)NC(=O)c1cc(C#N)c[nH]1 1392277062 PVEXQPDGIWLEJX-SCZZXKLOSA-N 303.322 -0.601 30 20 DBED C=C(Cl)CNC[C@H]1CN(C(=O)CS(C)(=O)=O)CCO1 1407840632 UWMXDYWNOINWEO-JTQLQIEISA-N 310.803 -0.400 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]1CNC(=O)CCN1CCOCC1 1410615858 OMQBHZIWJMVICN-OLZOCXBDSA-N 308.382 -0.415 30 20 DBED C[C@]1(CNC(=O)Cn2cc(C#N)c(O)nc2=O)CCCC[C@@H]1O 1411857623 ODIPKTXIIISOLH-XHDPSFHLSA-N 320.349 -0.122 30 20 DBED Cc1noc([C@@H](C)N(C)C(=O)Cn2cc(C#N)c(O)nc2=O)n1 1412296964 KQRHXKVJWQEXJZ-SSDOTTSWSA-N 318.293 -0.268 30 20 DBED CN(CCNC(=O)c1cnnn1C)C(=O)c1ccc(C#N)[nH]1 1415482252 MTYKFSKQSMWLMC-UHFFFAOYSA-N 301.310 -0.483 30 20 DBED C[C@H](CNC(=O)c1ccc2nnnn2c1)CNC(=O)[C@@H](C)C#N 1416481293 YPRKIRMRXFBLLT-UWVGGRQHSA-N 315.337 -0.234 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@H]2CNC(=O)CCCC(N)=O)c1 1417046968 JJIUTPDWOJZYGL-NSHDSACASA-N 317.349 -0.127 30 20 DBED C[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1NCCS(C)(=O)=O 1424465942 QIGFLOUTTHTPPJ-GXFFZTMASA-N 324.406 -0.019 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)[C@@H]2CCCN2C(N)=O)CC1 1433922617 SRLUDEDWZQQNKS-ZJUUUORDSA-N 307.354 -0.546 30 20 DBED CCN(CCC#N)C(=O)CN1CC[C@H](NC(=O)CCOC)C1 1438177890 DVQIXKIXCNWYHJ-ZDUSSCGKSA-N 310.398 -0.024 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](NC(=O)Cn1cnnn1)C(C)(C)C 1444875976 TVKOAAGHZHHYKT-NXEZZACHSA-N 307.358 -0.520 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)CCc2ccnn2C)C1 1445647821 TZTSUZWPLIXFOH-RTXFEEFZSA-N 319.365 -0.800 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CCN(C(=O)CCS(C)(=O)=O)C1 1454867640 GFAZFDMMCCBWEX-WDEREUQCSA-N 315.395 -0.455 30 20 DBED COCCn1ccc(C(=O)N(C)CCNC(=O)[C@@H](C)C#N)n1 1455436989 XTOWYKZNYPYPFS-NSHDSACASA-N 307.354 -0.123 30 20 DBED CC(=O)CCCC(=O)NC[C@@H](O)CNC(=O)c1cc(C#N)c[nH]1 1457908204 DAKXQMCVLYYVIJ-GFCCVEGCSA-N 320.349 -0.147 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N1CC[C@H]2OCC(=O)N[C@@H]2C1 1463838378 VZGVWYHNGDATCA-GMTAPVOTSA-N 316.383 -0.946 30 20 DBED Cn1c(O)nc(N2CC[C@H](NC(=O)C(C)(C)C#N)C2)cc1=O 1472122687 XAIDZOCKJPUZCX-VIFPVBQESA-N 305.338 -0.269 30 20 DBED Cn1cnc(CNC(=O)CCn2cc(C#N)c(O)nc2=O)c1 1472321116 NTRMLBYNWPJUIL-UHFFFAOYSA-N 302.294 -0.739 30 20 DBED COCCC(=O)N1CCN(CCN(C)C(=O)[C@H](C)C#N)CC1 1497859181 YSOWNCSZJUILIX-CYBMUJFWSA-N 310.398 -0.215 30 20 DBED CCN1C[C@@H](C(=O)N(C)CCN(C)C(=O)[C@@H](C)C#N)CC1=O 1501184084 GWKURRWUFNMZKJ-RYUDHWBXSA-N 308.382 -0.069 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)CNC(=O)O)c3nccn32)C1 1573311577 UJDXMPZGWHXMKG-JTQLQIEISA-N 303.322 -0.644 30 20 DBED C#Cc1ccc(C(=O)N(C)C[C@@H](C)NC(=O)CNC(=O)O)nc1 1573312622 XQCBQLHRSRYUOQ-SNVBAGLBSA-N 318.333 -0.093 30 20 DBED CC#CC[C@H](N)C(=O)N[C@H]1CC(=O)N(CCN(C)CCOC)C1 1574973137 SSUKXBJKTLIFLS-KBPBESRZSA-N 324.425 -0.978 30 20 DBED CO[C@@H](CS(=O)(=O)N1CCNC[C@@H]1C#N)C1CCOCC1 1578913328 VSEQJVMBGZJTTG-STQMWFEESA-N 317.411 -0.445 30 20 DBED N#CCCN1CCN(C(=O)NC[C@H]2CCC3(CNC3)O2)CC1 1580052149 YGMYWHGXFVTLLC-CYBMUJFWSA-N 307.398 -0.252 30 20 DBED CC1(C#N)CN(S(=O)(=O)c2cccnc2-c2nn[nH]n2)C1 1590056784 SNIQPYIKGNTISQ-UHFFFAOYSA-N 305.323 -0.204 30 20 DBED CC1(NCC(=O)NCC#N)CCN(C(=O)[C@H]2C[C@H]2C(=O)O)CC1 1594061171 SSVQCTXGDGPPFJ-WDEREUQCSA-N 322.365 -0.682 30 20 DBED N#CCN(CCC(=O)O)C(=O)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2 1601070718 SYZSAVGCYDYOTR-GCDPNZCJSA-N 308.290 -0.466 30 20 DBED N#Cc1ccc2ncc(CN3CCNC(=O)[C@@H]3CC(=O)O)n2c1 1601116586 WSHZOBOJSPBMSS-LBPRGKRZSA-N 313.317 -0.019 30 20 DBED C#CC1(O)CCN(C(=O)NCCn2cc(C(=O)O)nn2)CC1 1602677379 WCMMIQJRQLZUGI-UHFFFAOYSA-N 307.310 -0.854 30 20 DBED CC#CCS(=O)(=O)NC(=O)c1ccnc(-c2nn[nH]n2)c1 1602899497 ZGSRAGRMPLCJKU-UHFFFAOYSA-N 306.307 -0.655 30 20 DBED C=CCOC[C@@H](NC(=O)CN1C(=O)NC(=O)C1(C)C)C(=O)O 1602909382 UDBODLALBPYZHG-MRVPVSSYSA-N 313.310 -0.911 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 1605147098 DIDMAFKXYMDHND-GHMZBOCLSA-N 316.325 -0.853 30 20 DBED COC(=O)[C@H](CC(=O)O)NS(=O)(=O)c1cncc(C#N)c1 1606324618 DFQMOYNNJBVSHT-VIFPVBQESA-N 313.291 -0.752 30 20 DBED CC(=O)N1CCN(C(=O)[C@@H](C)N2CC[C@@](O)(CC#N)C2)CC1 1649847444 UCNWNWDCTYSFIA-DOMZBBRYSA-N 308.382 -0.584 30 20 DBED C#CCNC(=O)CNC[C@@H]1CCN(C(=O)[C@@H]2CCCCN2C)C1 1713346821 XUBUWIIWYIBIFV-GJZGRUSLSA-N 320.437 -0.342 30 20 DBED C#CCNC(=O)CN1CCCC[C@H]1CNC(=O)c1cnsn1 1752817861 QINICMXZNISTNY-NSHDSACASA-N 321.406 -0.128 30 20 DBED C#CCNC(=O)CN(C)CCNC(=O)[C@@H]1C[C@H]1c1cccnc1 1753065171 GOVSCUDEBTWPOK-LSDHHAIUSA-N 314.389 -0.018 30 20 DBED CC#CCN1CCN(CCN(C)C(=O)c2cnc(O)n2C)CC1 1753342634 ULNYYTUEGIAFJE-UHFFFAOYSA-N 319.409 -0.161 30 20 DBED CC#CCN1CCN(CCN(C)C(=O)C2(C(N)=O)CC2)CC1 1753343450 PXVPXZXZXTWUOO-UHFFFAOYSA-N 306.410 -0.649 30 20 DBED C#CCCN(C)C[C@H]1CCN(C(=O)CCS(=O)(=O)NC)C1 1753349949 ZBWUOENBXAPFKF-CYBMUJFWSA-N 315.439 -0.271 30 20 DBED Cc1ncccc1CC(=O)NC1CN(CC(=O)NCC#N)C1 1753387621 ZHFDJYWHUFPRSE-UHFFFAOYSA-N 301.350 -0.627 30 20 DBED C=CCNC(=O)[C@H](C)NC[C@@H](C)CNC(=O)c1cnn(C)n1 1753635087 WFOGVYYLAWFRQU-MNOVXSKESA-N 308.386 -0.539 30 20 DBED COCC#CCN[C@H](CNC(=O)[C@H]1CCCNC1=O)C(C)C 1753832954 XWSFEOOLSHSABE-UONOGXRCSA-N 309.410 -0.107 30 20 DBED Cc1ncncc1C(=O)N[C@H](C)CCNCC(=O)NCC#N 1753945782 MKEABOWYBDNWLU-SNVBAGLBSA-N 304.354 -0.477 30 20 DBED C[C@H](CN(C)[C@H](C)C(=O)NC(N)=O)NC(=O)CSCC#N 1754303385 UPMBABWUFZHVQS-RKDXNWHRSA-N 315.399 -0.737 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CNC(=O)c1ccnc(C)n1 1754503398 XIKWTOSAPJAWPM-LBPRGKRZSA-N 301.350 -0.661 30 20 DBED C=CCNC(=O)CN1CC(N(C)C(=O)C[C@@H]2CCC(=O)NC2)C1 1754576431 LUONMABSPRSCTR-LBPRGKRZSA-N 322.409 -0.653 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2csnn2)[C@@H](C)C1 1754599044 YOTMCVNSEQEHLK-WDEREUQCSA-N 321.406 -0.130 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCC2(CC1)CN(C(=O)C(N)=O)C2 1754960298 DZYHEYXOKMKPIY-LLVKDONJSA-N 308.382 -0.913 30 20 DBED C#CCCN1CCC(CO)(NC(=O)CCN2CCCC2=O)CC1 1755180672 FPUZJBJRHDJALZ-UHFFFAOYSA-N 321.421 -0.035 30 20 DBED C#CCNC(=O)CN(C)[C@H](C)CNC(=O)c1cn(C)nc1OC 1755311463 OUXLFGAIASCHHT-LLVKDONJSA-N 321.381 -0.772 30 20 DBED C#CCNC(=O)CN1CC(CCO)(NC(=O)Cc2ccco2)C1 1755337274 ATYHPCHQRYJDLH-UHFFFAOYSA-N 319.361 -0.876 30 20 DBED COCC#CCNC1CC(N(C)C(=O)[C@H]2CCNC(=O)C2)C1 1755855615 WZHZZHZVSRTQMJ-HSBZDZAISA-N 307.394 -0.259 30 20 DBED C=CCNC(=O)CN1CC=C(CNC(=O)[C@@H]2COCCO2)CC1 1755880706 FCRNFQGCHRORFM-AWEZNQCLSA-N 323.393 -0.548 30 20 DBED C=C1CC(C)(C(=O)N[C@H](CO)CNC(=O)[C@@H]2CCNC(=O)C2)C1 1756513150 BLCKDLFYEIWJFV-NEPJUHHUSA-N 323.393 -0.538 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)CCc2ccon2)C[C@@H]1O 1757162052 QNDNWOCEBYSDCU-OLZOCXBDSA-N 323.349 -0.502 30 20 DBED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)CC#N)C1 1842621012 JOYWEXARMZGMNK-PLNGDYQASA-N 316.361 -0.038 30 20 DBED C[C@H](C(=O)N1CC2(CCCN2C(=O)CC#N)C1)n1cncn1 1842624411 PZOSXPXEOZQHEE-LLVKDONJSA-N 302.338 -0.044 30 20 DBED CC(=O)C(C)(C)C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846194730 KOYHPQXAXAQDOB-UHFFFAOYSA-N 320.345 -0.107 30 20 DBED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)[C@H]1CCCOC1)C2 1846197452 OBECMVKUVUEULU-LBPRGKRZSA-N 320.345 -0.296 30 20 DBED C=C1CC(C(=O)N2CC3(CCCN3C(=O)CNC(N)=O)C2)C1 1847104722 FPQCKJIRZSPIET-UHFFFAOYSA-N 306.366 -0.176 30 20 DBED CCn1cc(C#N)c(=O)n(Cc2nsc(N(C)C)n2)c1=O 125476289 HBTUHSWPLKYKNL-UHFFFAOYSA-N 306.351 -0.133 30 20 DBED C#CCN1CCN(C(=O)CNC(=O)COc2ccccc2)CC1 128302049 LRGIZPNPKAVNLY-UHFFFAOYSA-N 315.373 -0.041 30 20 DBED C=CCN1CCC(N/C(=N\C)NC[C@H]2CN3CCN2CC3)CC1 179229264 BHWUZAGCMORVFG-INIZCTEOSA-N 320.485 -0.198 30 20 DBED C#CCOc1cccc(NC(=O)C(=O)N2CC[C@@H](C(N)=O)C2)c1 264776610 SPOREJXPPGFSNQ-LLVKDONJSA-N 315.329 -0.029 30 20 DBED C=CCCN(C)C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 297880288 PWNVTTAATXHXDP-ZDUSSCGKSA-N 323.393 -0.129 30 20 DBED COCC(=O)N1CCN(/C(O)=N/CCc2cnccn2)CC1 329294213 OCFODDHFFSARSZ-UHFFFAOYSA-N 307.354 -0.276 30 20 DBED N#Cc1ncn(CC/N=C(/O)N2CCOC[C@@H]2[C@@H]2CCCO2)n1 329374989 NROCAXADQAZYHB-NEPJUHHUSA-N 320.353 -0.056 30 20 DBED CN1CCN(C/C(O)=N/CCn2cnnc2C2CC2)CC1=O 329675735 UMQRQNPEGBIBJH-UHFFFAOYSA-N 306.370 -0.114 30 20 DBED CC(C)N1C[C@H](/N=C(/O)N2C[C@@H]3OCCN(C)[C@H]3C2)CC1=O 329963168 TVTSTUFVMYZRPQ-AGIUHOORSA-N 310.398 -0.076 30 20 DBED C[C@H](CS(C)(=O)=O)N(C)/C(O)=N/C[C@H]1CN(C)CCO1 330720388 BNSAXPVJIHCDGS-MNOVXSKESA-N 307.416 -0.404 30 20 DBED C=CC[C@@H](CO)NC(=O)C(=O)Nc1nn(C(C)C)cc1C#N 337272412 BTJGADLSPCEIAD-NSHDSACASA-N 305.338 0.327 30 20 DBED C=CCn1c(O)nnc1S(=O)(=O)CC(=O)N[C@@H](C)CC 341392804 ZVGHYSWTXOKMRG-QMMMGPOBSA-N 302.356 -0.142 30 20 DBED C=CCCOCCNC(=O)C(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@H]1[C@H]3O 342012197 BXZQDALRWZIGRO-HPCHECBXSA-N 308.378 -0.077 30 20 DBED COCCO[C@@H]1CCCN(C(=O)NCCn2cnc(C#N)n2)C1 347611007 KJYZVCASFOGIPF-GFCCVEGCSA-N 322.369 -0.013 30 20 DBED C=CCNC(=O)CNC(=O)c1cc(C)c2c(O)nc(O)nc2n1 347885903 DWNVCJPLFBVTQT-UHFFFAOYSA-N 317.305 -0.224 30 20 DBED C=CC[C@H](CO)NC(=O)[C@@H]1CC[C@@H](C(=O)N2CCOCC2)O1 357646825 CKLNWLOUPUZTQC-AGIUHOORSA-N 312.366 -0.554 30 20 DBED Cn1c(N[C@@H](CO)C2CCOCC2)c(C#N)c(=O)n(C)c1=O 360182342 RSZCVWRBWUNKKI-NSHDSACASA-N 308.338 -0.845 30 20 DBED CC#CCCNC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 361647477 YLWCGAPSPWDJJQ-UHFFFAOYSA-N 320.393 -0.124 30 20 DBED CNC(=O)[C@@H]1CCCCN1S(=O)(=O)N(C)C[C@@H](C)C#N 407952437 HHBAMQUZMNEEQI-QWRGUYRKSA-N 302.400 -0.077 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@]2(C)CCCO2)C1=O 446304377 LQGUCAJXJNFVRO-CQSZACIVSA-N 309.322 -0.352 30 20 DBED C=CCn1cccc1C(=O)NCCNS(=O)(=O)N(C)C 457794400 KHTRMXCUZPDJHQ-UHFFFAOYSA-N 300.384 -0.200 30 20 DBED C=C(C)COCCNC(=O)NCC1CN(S(C)(=O)=O)C1 488504908 LPKJAKHFXYUQDK-UHFFFAOYSA-N 305.400 -0.230 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CCOC[C@@H]2C)CC1 491505094 KKHCUGAPUZJKGL-LSDHHAIUSA-N 321.421 -0.057 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2nnc(C)s2)CC1 491795911 YAIYIYTYAOEAKO-UHFFFAOYSA-N 307.379 -0.646 30 20 DBED C=CCn1cc(CNc2nc3c(c(O)nc(=O)n3C)n2C)nn1 567720949 RNXDQWUGJAYOSE-UHFFFAOYSA-N 316.325 -0.238 30 20 DBED CO[C@@H]1COC[C@H]1NCC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 570160051 VBEDMEJNZXRBEB-QLFBSQMISA-N 324.425 -0.318 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)C[C@H]2CCCC(=O)N2)CC1 572160975 QZIWHGNAQUWFFK-CYBMUJFWSA-N 322.409 -0.508 30 20 DBED Cc1nsc(N2CCN(c3nc(=N)[nH]c(=N)[nH]3)CC2)c1C#N 599085253 NNQLMOWHWDMFNF-UHFFFAOYSA-N 317.382 -0.340 30 20 DBED C=C[C@](C)(O)C(=O)N1CCN(c2ncccc2C(N)=O)CC1 667584119 UFTYWGAAZBXSBC-HNNXBMFYSA-N 304.350 -0.234 30 20 DBED COCC/N=C1/NC(=O)[C@@H](CC(=O)NCCCN(C)C)S1 743277708 SOGHBDRRRNEZRV-SNVBAGLBSA-N 316.427 -0.322 30 20 DBED Cc1nn(C)cc1C=NNC(=S)NCCN1CCOCC1 755498352 HZVNOTFBFTWGHO-UHFFFAOYSA-N 310.427 -0.141 30 20 DBED CN1C(=O)CN(N=Cc2ccc(F)c(S(N)(=O)=O)c2)C1=O 807979224 DFRAVIHGCYWEQW-UHFFFAOYSA-N 314.298 -0.299 30 20 DBED CNC(=O)CNC(=S)NN=Cc1ccccc1-n1cncn1 814844117 BSIOXHDKNDSUCE-UHFFFAOYSA-N 317.378 -0.189 30 20 DBED C#CCN1CCN(c2nnc([C@H]3CNC(=O)C3)n2CC=C)CC1 818148195 PGQPCIIEASWPQC-CYBMUJFWSA-N 314.393 -0.177 30 20 DBED CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CNC[C@@H]2C#N)cc1 834516740 LOAWIGJGQGMGAP-AAEUAGOBSA-N 322.390 -0.174 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCCCCCCN)C1=O 843262487 RDUCBQUEGDJBJS-CYBMUJFWSA-N 324.425 -0.133 30 20 DBED C=C(C)CONC(=O)N1CCN(CC(=O)NCCOC)CC1 845597031 AEFGIDQLCVDOPM-UHFFFAOYSA-N 314.386 -0.416 30 20 DBED C=C[C@H](C(=O)O)N1CCN(S(=O)(=O)N(CC)CC)CC1 846234902 MEJKTELGPCZVFR-LLVKDONJSA-N 305.400 -0.170 30 20 DBED C=C(C)CONC(=O)CS(=O)(=O)CC(=O)NOCC(=C)C 848244323 GVTLABWREHGRJU-UHFFFAOYSA-N 320.367 -0.351 30 20 DBED C/N=C(/NCCN1CCCOCC1)NCCN1CCOCC1 849021013 GNNNGUZKZFQGAG-UHFFFAOYSA-N 313.446 -0.794 30 20 DBED N#CCCN1CCN(C(=O)C(=O)N[C@@H]2CCCNCC2)CC1 884716052 LHELNGDZJUVHQM-CYBMUJFWSA-N 307.398 -0.697 30 20 DBED CN1CCN(c2ncc(CN[C@H]3CCCN(O)C3=O)cn2)CC1 895167522 WZLLHGRHFLTBJP-ZDUSSCGKSA-N 320.397 -0.302 30 20 DBED C#CCN1CCC(C(=O)N2CCN(c3nc[nH]n3)CC2)CC1 898328919 GYFVYGZOCIQFMP-UHFFFAOYSA-N 302.382 -0.202 30 20 DBED C[C@@H]1CN(C(=O)CN2C(=O)NC(=O)C2(C)C)C[C@H]1NCC#N 939479925 MMTFTOOHCHOQRD-NXEZZACHSA-N 307.354 -0.723 30 20 DBED C[C@H]1CN(CC#N)CC[C@H]1NC(=O)CN1CCCS1(=O)=O 942107439 WKHCZLJLWWAXRL-NWDGAFQWSA-N 314.411 -0.628 30 20 DBED Cn1nncc1C(=O)N1CC[C@@H]1CNC(=O)c1c[nH]c(C#N)c1 949492034 XHQJGBVWKWVECV-LLVKDONJSA-N 313.321 -0.341 30 20 DBED C#Cc1cncc(C(=O)N2CC[C@@H](NC(=O)C(N)=O)C[C@@H]2C)c1 955813441 CHPKIYSPEWEVAC-GXFFZTMASA-N 314.345 -0.343 30 20 DBED C=CCN1C[C@@H](O)[C@H](CNC(=O)c2ccc3nn[nH]c3n2)C1 958120566 ABRHKWFUQKBCJC-BXKDBHETSA-N 302.338 -0.439 30 20 DBED CC#CCN1C[C@@H](O)[C@H](CNC(=O)c2c(C)ncnc2O)C1 958345488 NWCRZSOBQPEPOB-VXGBXAGGSA-N 304.350 -0.464 30 20 DBED CN(C(=O)[C@@H]1CCCO1)[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 958472060 HCJYWUATQBWIBG-IHRRRGAJSA-N 306.362 -0.391 30 20 DBED C=CCN1C[C@H](O)[C@H](CNC(=O)c2ccc(=O)n(CCC)n2)C1 958662538 VDCFLKQHVKYOCU-OCCSQVGLSA-N 320.393 -0.138 30 20 DBED C=C1CC(C)(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)c3cnn[nH]3)C2)C1 958886348 KRLTVLFNMMRPPR-RYUDHWBXSA-N 319.365 -0.195 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2csc(O)n2)C1 958925856 BIAAKAKXDYZCAG-HGNGGELXSA-N 324.362 -0.348 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)Cc1cc[nH]n1 960163208 ZECYIZJUNBYFQF-WCFLWFBJSA-N 317.349 -0.450 30 20 DBED C=C(C)CN1C[C@H]2[C@H](NC(=O)CN3CCN(C)C(=O)C3)[C@H]2C1 960633255 YDHJVXGAUFJDKT-VIKVFOODSA-N 306.410 -0.617 30 20 DBED N#Cc1ccc(CN2C[C@H]3[C@H](NC(=O)C(N)=O)[C@H]3C2)c(F)c1 961643367 WBINIYHFFQEQTG-PJXYFTJBSA-N 302.309 -0.271 30 20 DBED C=CCN1CC[C@H](N2C[C@H]3C(NC(=O)c4nc[nH]n4)[C@@H]3C2)C1=O 962085259 OPEVKOLMIWXHLM-MXWKQRLJSA-N 316.365 -0.748 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCOC3)C[C@@H]2O)c1 962132423 CEXPQSKECQIZDB-UHTWSYAYSA-N 318.333 -0.776 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2CCCN(C(=O)C(N)=O)CC2)c1 965166747 FEQFYPRYKLVNPT-CYBMUJFWSA-N 314.345 -0.341 30 20 DBED C#CCCN1CC[C@@H](C)[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)C1 968603012 UVAFVLIFGDWSRB-OCCSQVGLSA-N 319.409 -0.260 30 20 DBED C#CCN(C)[C@@H]1CCN(C(=O)[C@H]2C[C@H](OC)CN2C(C)=O)C1 972017351 RMFDCHPSTXZJBA-QLFBSQMISA-N 307.394 -0.212 30 20 DBED C#CCN(C)[C@H]1CCN(C(=O)Cn2nc3ccccn3c2=O)C1 972043984 FOBXPSPYFIZXQD-ZDUSSCGKSA-N 313.361 -0.338 30 20 DBED CN(CC#N)[C@@H]1CCN(C(=O)[C@H]2CCN(C)S2(=O)=O)C1 972526402 FRLKXZXLWIVYES-GHMZBOCLSA-N 300.384 -0.923 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3CCC(=O)N3)C2)c1 973098877 SAIQSZCMVQINTL-GMTAPVOTSA-N 315.333 -0.458 30 20 DBED COCCN1C[C@H](C(=O)N[C@@H]2CN(CC#N)CC2(C)C)CC1=O 974642924 MWPFCLAIZSSSSW-CHWSQXEVSA-N 322.409 -0.169 30 20 DBED C#CCN1CCC(C(=O)NCC2[C@H]3CN(CC(N)=O)C[C@H]23)CC1 979090212 OVBIMYFAHXRGQB-HUUCEWRRSA-N 318.421 -0.889 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)c1nnn(C)n1 984039731 HZTHNUKQGIVCHI-VWYCJHECSA-N 319.369 -0.273 30 20 DBED C[C@@H](C#N)C(=O)N1CCCCC[C@@H](NC(=O)Cn2cnnn2)C1 987129196 KDBJSVZFMPMPDB-NWDGAFQWSA-N 319.369 -0.280 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)COC)[C@@H]1C 988737539 FJBOHNMUVKXZKK-RDBSUJKOSA-N 307.394 -0.164 30 20 DBED N#Cc1c[nH]c(C(=O)NC2CN(C(=O)C3=COCCO3)C2)c1 990696860 VSMCIDHHHKQYRZ-UHFFFAOYSA-N 302.290 -0.285 30 20 DBED N#Cc1ccc(C(=O)N2CC(NC(=O)[C@@H]3CC[C@H]3C(N)=O)C2)[nH]1 997406191 QHAAOXHPRPPUJP-GHMZBOCLSA-N 315.333 -0.662 30 20 DBED C[C@H](NC(=O)[C@@H]1CCS(=O)(=O)N1)C1CCN(CC#N)CC1 997871215 NJNZSPRBEFALCY-JQWIXIFHSA-N 314.411 -0.582 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)c2cnn(C)c2)C1 999988410 QKGGHFVSFMYKGE-OLZOCXBDSA-N 304.350 -0.048 30 20 DBED N#CCN1CCC(NC(=O)c2ccc(S(N)(=O)=O)o2)CC1 1003243505 ATUNPUBEEQIKHK-UHFFFAOYSA-N 312.351 -0.355 30 20 DBED COc1cc(C(=O)NC2[C@@H]3CN(C(=O)[C@H](C)C#N)C[C@@H]23)ncn1 1013144896 FXROPTMPACYZGH-OPRDCNLKSA-N 315.333 -0.169 30 20 DBED N#Cc1ccc(CN2CC[C@@H](NC(=O)Cn3ncnn3)C2)s1 1014428888 MKXHPLGRBJARME-SNVBAGLBSA-N 317.378 -0.003 30 20 DBED C#CCN1CC[C@H]2[C@@H](CCCN2C(=O)C2CC(=O)NC(=O)C2)C1 1021687532 ALJIWJDWKOYWLH-JSGCOSHPSA-N 317.389 -0.015 30 20 DBED C=CCN1CC[C@H](N[C@H]2C[C@@H](NC(=O)[C@H]3COCCO3)C2)C1=O 1021854685 NAMTWPGJYDLNQD-RFQIPJPRSA-N 323.393 -0.575 30 20 DBED C=CCN1CC[C@@H](N[C@H]2C[C@@H](NC(=O)c3cnn[nH]3)C2)C1=O 1022354635 WVSMCUYLHJVTQR-OUAUKWLOSA-N 304.354 -0.558 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC(=O)N2)C1 1023203076 UMPKLPVESNTBJQ-GMTAPVOTSA-N 309.366 -0.835 30 20 DBED CC[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1024374047 WSQSYRBDSFIMBJ-KQTLUZQSSA-N 320.389 -0.097 30 20 DBED C=CCN[C@@H]1CC[C@@H]2CN(C(=O)CCn3ncn(C)c3=O)C[C@@H]21 1026314346 ADNDNVRKKBGFLV-HZSPNIEDSA-N 319.409 -0.016 30 20 DBED C#CCN[C@@H]1CC[C@H]2CN(C(=O)c3ccc(=O)n(C)n3)C[C@@H]21 1026415096 ZAJSEGCKCQLZPJ-RWMBFGLXSA-N 300.362 -0.146 30 20 DBED CC#CCN1[C@H]2CC[C@H]1CN(C(=O)CN1CCNC(=O)C1)C2 1029420298 WCZFHWPKLAWIDK-KBPBESRZSA-N 304.394 -0.883 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)[C@H]3CCCC(=O)N3)C2)C1=O 1030492325 PLJGXZRYJQUOTB-CHWSQXEVSA-N 320.393 -0.758 30 20 DBED Cc1cc(C)n(CC(=O)N2C[C@@H]3C[C@H]2CN3CC#N)c(=O)n1 1032702807 ZLIQZXIOCWNYAJ-STQMWFEESA-N 301.350 -0.331 30 20 DBED C=C(Cl)CN1CCO[C@H](CNC(=O)[C@H]2CN(C)C(=O)N2)C1 1035475815 MJMCKYBUUSXBOJ-GHMZBOCLSA-N 316.789 -0.421 30 20 DBED C=C(Cl)CN1CC[C@H]1CNC(=O)[C@@H]1CCS(=O)(=O)N1 1039022931 GOQYVTWLOKXHKS-UWVGGRQHSA-N 307.803 -0.379 30 20 DBED CC(C)C#CC(=O)N1CC[C@](O)(CNC(=O)c2cnn[nH]2)C1 1040265504 NDZDVNLVZKEZBI-AWEZNQCLSA-N 305.338 -0.843 30 20 DBED C#Cc1ccc(C(=O)N2CC(O)(CNC(=O)C(F)F)C2)nc1 1041076777 NWNKEELRKPQOCV-UHFFFAOYSA-N 309.272 -0.369 30 20 DBED Cc1nsc(NC[C@H]2CN(C(=O)C(N)=O)CCCO2)c1C#N 1041526036 STPMMTKNCYNRQF-VIFPVBQESA-N 323.378 -0.162 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H]3CCN(CC(N)=O)[C@H]3C2)nn1 1042263571 WFDHVIWRBGEENL-YPMHNXCESA-N 318.381 -0.514 30 20 DBED C[C@@H](c1nnnn1C)N1CC(N(C)C(=O)c2cc(C#N)c[nH]2)C1 1042590109 UBMTXXNKNOBTRS-VIFPVBQESA-N 314.353 -0.073 30 20 DBED C#CCCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1042661708 YXEWWDJCMAQUJS-NHAGDIPZSA-N 320.389 -0.238 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)c2cccc(O)n2)C1 1042936720 OEIQVUYEJAJQIA-UHFFFAOYSA-N 317.345 -0.250 30 20 DBED O=C(C#CC1CC1)NCC1(O)CN(C(=O)Cc2ccon2)C1 1042958196 GQLQMUUZRLQRMD-UHFFFAOYSA-N 303.318 -0.680 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)C#CC(C)(C)C)C1 1042968317 IXRLXQCEGZCESC-UHFFFAOYSA-N 320.389 -0.235 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)C#CC(C)(C)C)C1 1042969627 XHSQFWVPRJTCOG-ZDUSSCGKSA-N 320.389 -0.236 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)c2cc[nH]c2C)C1 1043032430 AVPQWFBCKGQZIY-UHFFFAOYSA-N 319.361 -0.334 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)c2[nH]c(O)nc2C)C1 1044475590 VITVLXCMEBTJKK-UHFFFAOYSA-N 322.365 -0.061 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@@H]2C(=O)OC)C1 1044483926 DAVHATCQHQEKBX-MNOVXSKESA-N 324.377 -0.303 30 20 DBED COCc1nc(C(=O)NCC2(O)CN(C(=O)[C@H](C)C#N)C2)co1 1045583443 YKDROVCMQTZGKZ-SECBINFHSA-N 322.321 -0.716 30 20 DBED C=CCN1CC[C@@H](N2CCN(C(=O)Cc3nc[nH]n3)CC2)C1 1046078703 MFKUMWCXFGZSDB-CYBMUJFWSA-N 304.398 -0.248 30 20 DBED N#Cc1ccc(C(=O)N2CC(O)(CNC(=O)C3(CF)CC3)C2)[nH]1 1046358421 BPOKYUHIUJAGLM-UHFFFAOYSA-N 320.324 -0.061 30 20 DBED C[C@H]1CCCN1CC(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1046664213 GBZNJUCSUPURHG-ZDUSSCGKSA-N 319.405 -0.426 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)CCc2cnn[nH]2)C1 1046803552 DVXNDBKQKQHGGW-UHFFFAOYSA-N 321.381 -0.361 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)Cc2cnc[nH]2)C1 1047188094 JCZKOOMTOPOMSI-UHFFFAOYSA-N 306.366 -0.146 30 20 DBED C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)CN1CCN(C)C(=O)C1 1049561353 JTXSZWMFJLGRPI-LSDHHAIUSA-N 318.421 -0.541 30 20 DBED C[C@@H]1[C@@H](NC(=O)Cn2cncn2)CCN1c1ccc(C#N)nn1 1050287992 ABTPRTULGSNOGO-PWSUYJOCSA-N 312.337 -0.277 30 20 DBED N#CCN1CCOC[C@@H]1CNC(=O)c1ccc2nc[nH]c2n1 1050979442 UUOSYDDCAOKFPJ-JTQLQIEISA-N 300.322 -0.088 30 20 DBED CC#CCN1CCN([C@@H]2CCN(C(=O)[C@H]3CCNC3=O)C2)CC1 1052059147 CSGMZDNLHVZZOH-CABCVRRESA-N 318.421 -0.636 30 20 DBED CN1CCN(CC(=O)N[C@H]2CCCN(CC#N)CC2)CC1=O 1052501783 GDELKJRQDAGRJZ-ZDUSSCGKSA-N 307.398 -0.745 30 20 DBED C#CCN1CC2(C1)CN(C(=O)[C@@H]1CC(=O)N[C@@H](CC)C1)CCO2 1053356010 IRRVVRLPPWRQQT-KBPBESRZSA-N 319.405 -0.162 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)CN3CCCCCC3=O)CO2)C1 1054002102 QMYYXQIVMKBKBL-CQSZACIVSA-N 319.405 -0.018 30 20 DBED C#CCN[C@@H]1CN(C(=O)CN2CCCCS2(=O)=O)C[C@H]1C 1054912518 VDCHCPJZNQLLPT-CHWSQXEVSA-N 313.423 -0.518 30 20 DBED COCCOCC(=O)N1C[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2C1 1055254240 CNTVTFOVXQVZHF-UPJWGTAASA-N 309.366 -0.274 30 20 DBED Cn1cncc1C(=O)N[C@H]1[C@@H]2CN(c3ccnc(C#N)n3)C[C@@H]21 1056335440 ITBLIFIBNBNCAE-MSRIBSCDSA-N 309.333 -0.054 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)Cc1ccoc1 1057193159 AXSCMLLJIKKQDM-UHFFFAOYSA-N 310.350 -0.038 30 20 DBED Cn1cnc(C(=O)N(CCO)CCNC(=O)C#CC(C)(C)C)n1 1057496459 QXUJPCXHZYHMOL-UHFFFAOYSA-N 321.381 -0.585 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)c1cncnc1 1057517306 PLHUSQVYRBEDEW-UHFFFAOYSA-N 304.350 -0.313 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCN(CCO)C(=O)C#CC1CC1 1057531185 IBYZZSILZTUTRP-MRXNPFEDSA-N 308.378 -0.336 30 20 DBED C=C(C)CCC(=O)NCCN(CCO)C(=O)[C@@H]1CCNC1=O 1058298433 CNOJIBCKMVAAKF-GFCCVEGCSA-N 311.382 -0.584 30 20 DBED Cc1cc(C#N)nc(N2CC[C@H](NC(=O)[C@@H]3COCCO3)C2)n1 1058304851 KXKUBPWBCBCRGW-AAEUAGOBSA-N 317.349 -0.233 30 20 DBED C=C[C@H](C)[C@H](C)C(=O)N(CCO)CCNC(=O)Cn1nccn1 1058437555 GTZKVWQLJBTXFD-STQMWFEESA-N 323.397 -0.327 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)c1c[nH]c(=O)cn1 1058602991 CSVBZAQCUPFOMV-UHFFFAOYSA-N 308.338 -0.713 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)[C@@]12CCCN(CC1)C2 1058654901 LKNOBHZWWLYRKM-BBRMVZONSA-N 322.409 -0.431 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)C1CCN(C)CC1 1058656935 NBYANPJXUCKRSA-LBPRGKRZSA-N 310.398 -0.575 30 20 DBED CS(=O)(=O)CC(=O)N1CC[C@H](CNc2ccc(C#N)nn2)C1 1060824914 LFTJBPOPGHBGAV-SNVBAGLBSA-N 323.378 -0.347 30 20 DBED CC#CCCCC(=O)N1CCOC[C@H]1CNC(=O)CNC(C)=O 1061206696 QGARCQVDRXRIKB-CQSZACIVSA-N 323.393 -0.340 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)Cc1ccnn1C 1061535663 IWNXTNPKNPICEX-AAEUAGOBSA-N 319.365 -0.534 30 20 DBED NC(=O)CCCC(=O)N1CCOC[C@@H]1CNC(=O)C#CC1CC1 1061573726 XIMQZCVDWXGAQB-ZDUSSCGKSA-N 321.377 -0.601 30 20 DBED Cc1nnccc1C(=O)N1CCOC[C@H]1CNC(=O)[C@H](C)C#N 1061848972 XMYCPNRLYMYTGP-ZYHUDNBSSA-N 317.349 -0.098 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H]1CN(C(=O)CCCC)CCO1 1064867090 XHRRGPDGXOXMDE-ZDUSSCGKSA-N 323.393 -0.340 30 20 DBED CC(C)(O)CC(=O)N1CCO[C@H](CNC(=O)C#CC2CC2)C1 1065100529 CUYQJBCFSCLVKS-CYBMUJFWSA-N 308.378 -0.096 30 20 DBED COC(=O)NCC(=O)N1CCC[C@@H](NC(=O)[C@H](C)C#N)CC1 1066474132 CJJMUKAFXSHNSR-GHMZBOCLSA-N 310.354 -0.001 30 20 DBED N#Cc1ccc(N2C[C@H](CNC(=O)c3ncccn3)[C@@H](O)C2)nc1 1067677529 GALMARIGFBFUQK-STQMWFEESA-N 324.344 -0.030 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](CNC(=O)c3ccnnc3)C2)cn1 1067693947 SALALYOJBHVYMB-IUODEOHRSA-N 324.344 -0.030 30 20 DBED N#Cc1nccc(N2C[C@H]3CC[C@H]2CN3C(=O)CC(N)=O)n1 1068033903 WYDQVYSFPSUCCL-VHSXEESVSA-N 300.322 -0.597 30 20 DBED N#Cc1nccnc1N1C[C@H]2CC[C@H]1CN2C(=O)Cn1nccn1 1068053724 SPLZAEDQKHEKPV-NEPJUHHUSA-N 324.348 -0.180 30 20 DBED N#Cc1nc(=NC[C@H]2C[C@H](NC(=O)[C@@H]3COCCO3)C2)cc[nH]1 1068448716 NHSCZZMACXWITO-SRVKXCTJSA-N 317.349 -0.508 30 20 DBED O=C(C#CC1CC1)N[C@@H]1COC2(C1)CN(C(=O)c1cnn[nH]1)C2 1068862254 AUHWQSDBPONZLV-NSHDSACASA-N 315.333 -0.682 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1COC2(C1)CN(C(=O)[C@@H]1[C@H]3COC[C@H]31)C2 1069007622 IMNJJLKYRCBJCQ-KVSVUVNWSA-N 319.361 -0.475 30 20 DBED CC(C)C#CC(=O)N1CCC[C@@]2(CCN(C(=O)C(N)=O)C2)C1 1069749052 KVSMOOMHEXAHEI-MRXNPFEDSA-N 305.378 -0.028 30 20 DBED N#CCSCC(=O)N1CC[C@]2(CCCN(C(=O)C(N)=O)C2)C1 1069775663 CRIZHDJTXBTMER-CQSZACIVSA-N 324.406 -0.430 30 20 DBED C=C(C)CN1C[C@H](n2ccnn2)[C@H](NC(=O)c2cnon2)C1 1070058833 XZVVXPANEKTEAZ-NEPJUHHUSA-N 303.326 -0.108 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)Cn2ccnc2)CCOCC1 1070159191 SNDDOJKXRREAED-LBPRGKRZSA-N 319.365 -0.176 30 20 DBED C=CCOCC(=O)N[C@@H]1CCCN(C(=O)Cn2nccn2)C1 1070793119 YKSBQEGTNCQMNG-GFCCVEGCSA-N 307.354 -0.412 30 20 DBED Cn1cc(C(=O)N2C[C@@H]3C[C@@H]4CN(CC#N)C[C@]3(C2)O4)nc1O 1070850108 FFJWCSMHQIDTHK-FIXISWKDSA-N 317.349 -0.435 30 20 DBED CC(C)C#CC(=O)N1C[C@H](C)[C@@H](NC(=O)CN2CCOCC2)C1 1072035004 GIYDSVXXZYEGAM-GJZGRUSLSA-N 321.421 -0.059 30 20 DBED C[C@H]1CN(C(=O)CC(=O)N(C)C)C[C@@H]1NC(=O)C#CC1CC1 1072130067 RREVAULMUIMJDU-AAEUAGOBSA-N 305.378 -0.159 30 20 DBED C=CCCC(=O)N[C@@H]1CN(C(=O)Cn2c(O)nnc2O)C[C@@H]1C 1072484125 MWNVBJNGDABKNT-VHSXEESVSA-N 323.353 -0.381 30 20 DBED C[C@@H](C#N)C(=O)NC1(C)CCN(C(=O)[C@H]2CNC(=O)N2)CC1 1073224110 PLIAXKQPCCLYQE-VHSXEESVSA-N 307.354 -0.675 30 20 DBED CC1(C)CN(C(=O)CNC(N)=O)CC[C@H]1NC(=O)C#CC1CC1 1073388714 NNQMMIZVFKDMGP-GFCCVEGCSA-N 320.393 -0.189 30 20 DBED C=C(C)CN1CCC2(C1)CN(C(=O)[C@@H]1CCS(=O)(=O)N1)C2 1073439306 TYMKYPZXSXTBHT-LBPRGKRZSA-N 313.423 -0.212 30 20 DBED C#CCCN1CCO[C@@H]2CCN(C(=O)c3c[nH]c(=O)cn3)C[C@H]21 1074324697 OAAMLWLWFOCLIZ-ZIAGYGMSSA-N 316.361 -0.292 30 20 DBED C#CCCCC(=O)NCC[C@H](C)NC(=O)CN1CCNC(=O)C1 1076303943 PLDYKVPBEXHVLC-ZDUSSCGKSA-N 322.409 -0.767 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CN3CC4CC3(CO2)C4)C1 1077418333 NVJHWTJNWQIFCN-WBDXWENLSA-N 307.394 -0.803 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)Cc2ccccc2C(N)=O)C1 1077496058 CBZWLRYJBYCGRG-ZIAGYGMSSA-N 301.346 -0.878 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCc3nn(C)cc32)C1 1077576440 NRKKZRXNVJTDNS-NILFDRSVSA-N 302.378 -0.366 30 20 DBED N#CCN[C@H]1C[C@H](NC(=O)CN2C(=O)CCC2=O)C12CCC2 1078804381 UYEBEUSOCKKMJA-QWRGUYRKSA-N 304.350 -0.324 30 20 DBED CCN(C(=O)C#CC1CC1)C1CN(C(=O)CN(C)C(C)=O)C1 1079737029 UFVKSVHPDOAAGH-UHFFFAOYSA-N 305.378 -0.063 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)Cc2ncc[nH]2)C[C@@H]1O 1081463881 TZLHZHUPBRGMPO-OLZOCXBDSA-N 318.377 -0.453 30 20 DBED C=CC(C)(C)CC(=O)NC[C@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1O 1081516762 IXVAKOQXTBAWAT-WDEREUQCSA-N 321.381 -0.044 30 20 DBED C=CCCOCC(=O)NC[C@H]1CN(C(=O)CCOC)C[C@@H]1O 1081569148 KXWSDOAUVNRLFX-STQMWFEESA-N 314.382 -0.449 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@H](CNC(=O)Cc2ncc[nH]2)C1 1081692169 CHYVPEQJUXPIDW-NEPJUHHUSA-N 322.365 -0.910 30 20 DBED CN(C)CCCC(=O)NC[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1081701677 YVUDDJRTZLGLAM-LSDHHAIUSA-N 321.421 -0.323 30 20 DBED C=C(C)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)C[C@H]1CC(=O)NC1=O 1083292465 HPNUTIYJCYVWKD-FRRDWIJNSA-N 321.377 -0.473 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCc3ncncc3C2)C1 1083517410 YYTNJAQXQZCKGG-DFBGVHRSSA-N 300.362 -0.624 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCCN2C(=O)CCC)C1 1084084925 GGEKBCULPQIFKP-KFWWJZLASA-N 321.421 -0.038 30 20 DBED N#CCN1CC[C@@H]2CN(C(=O)Cn3ccc(O)nc3=O)[C@@H]2C1 1084494136 UUZZBDQMUKJYLM-GHMZBOCLSA-N 303.322 -0.995 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cn3nccc3nc2C)[C@H](O)C1 1090687954 AXZLEKQKJJFQEZ-UONOGXRCSA-N 313.361 -0.164 30 20 DBED C=CCCN1CC[C@@H](NC(=O)C2CCN(C(N)=O)CC2)[C@H](O)C1 1090793967 JDONOCYAFNNUSL-ZIAGYGMSSA-N 324.425 -0.095 30 20 DBED COC[C@H](C)CC(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1091137769 VETBVBRQRICAQO-UTUOFQBUSA-N 319.365 -0.313 30 20 DBED CC#CCN1C[C@@H]2CN(C(=O)C[C@@H]3NC(=O)NC3=O)C[C@]2(C)C1 1091748898 YOBAZEAUBLKMFX-WQGACYEGSA-N 318.377 -0.612 30 20 DBED N#Cc1nccnc1NC1CC(CNC(=O)Cn2ncnn2)C1 1092241036 LBBMOEZAAZSJPM-UHFFFAOYSA-N 313.325 -0.658 30 20 DBED CC(=O)N[C@H](C)C(=O)NC1[C@@H]2CN(c3cncc(C#N)n3)C[C@@H]12 1093207438 HFNIVGABNVIKCT-GGZOMVNGSA-N 314.349 -0.576 30 20 DBED Cc1c(C(=O)NCc2cn(C3CN(CC#N)C3)nn2)cnn1C 1094275938 XSUICNPKIMCXKU-UHFFFAOYSA-N 314.353 -0.370 30 20 DBED C#CCCN1CC(N2C[C@@H](NC(=O)[C@@H]3CCN(C)C3)CC2=O)C1 1094815212 OHYNEUDPMSTUEU-KGLIPLIRSA-N 318.421 -0.637 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](N(C)c2cc(F)ncn2)C1 1095111397 SELBUASZGSXBIJ-NSHDSACASA-N 319.340 -0.208 30 20 DBED COC[C@@H](OC)C(=O)N1CCC[C@H](N=c2cc[nH]c(C#N)n2)C1 1095327606 ZHMPPOIXYQCEGQ-NWDGAFQWSA-N 319.365 -0.166 30 20 DBED CN(C)C(=O)CC(=O)N1CCC[C@H](N=c2cc[nH]c(C#N)n2)C1 1095328771 OWUWFVRRNIPTOT-NSHDSACASA-N 316.365 -0.349 30 20 DBED CC(=O)N[C@H](C)C(=O)N[C@@H]1CCCN(c2cncc(C#N)n2)C1 1096134872 OWYKUSLYFYQSIT-ZYHUDNBSSA-N 316.365 -0.042 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(c2ncnc3c2nnn3C)C1 1096334406 JLBXOKBIXWDCIG-SNVBAGLBSA-N 317.353 -0.344 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)C1CC1 1096801227 XIMSXLGFVOTJLQ-STQMWFEESA-N 314.349 -0.637 30 20 DBED CC(=O)NC(C)(C)C(=O)N[C@H]1C[C@@H](N=c2cc[nH]c(C#N)n2)C1 1097201060 YTWBZDHTFPXKTN-PHIMTYICSA-N 316.365 -0.256 30 20 DBED C[C@@H](CNC(=O)CNC(=O)C(C)(C)C)N=c1cc[nH]c(C#N)n1 1097855166 HXWOBIFBCFFHQA-JTQLQIEISA-N 318.381 -0.151 30 20 DBED C[C@H](CNC(=O)[C@H]1CCCNC1=O)N=c1cc[nH]c(C#N)n1 1098120993 RAJTZWHTCQLOFS-ZJUUUORDSA-N 302.338 -0.787 30 20 DBED C#CCCN(CCO)C1CCN(C(=O)Cn2cnnc2O)CC1 1098351828 UGYDNWFUNMJVGA-UHFFFAOYSA-N 321.381 -0.708 30 20 DBED CC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H]1COCCN1C(C)=O 1098441780 WMKZYOWZHZDPBJ-LVQVYYBASA-N 319.405 -0.022 30 20 DBED C=CCCCNCc1cn([C@@H]2CCN(C(=O)CC(N)=O)C2)nn1 1098639966 BUQZUPQFPGEEHA-CYBMUJFWSA-N 320.397 -0.017 30 20 DBED CCNC(=O)CN1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H](O)C1 1099783899 YADRUXCZHUQSIE-OLZOCXBDSA-N 319.365 -0.813 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)c2coc(C)c2)[C@@H](O)C1 1099788117 BQBYBXREWLVYBH-KGLIPLIRSA-N 319.361 -0.498 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)CC2(O)CCC2)[C@@H](O)C1 1099823573 FPZXEFGLVBVTME-KGLIPLIRSA-N 310.394 -0.507 30 20 DBED N#CCNC(=O)CN1CC[C@@H](NC(=O)CCCC2CC2)[C@H](O)C1 1099964139 HENLVCLYMOWNDB-ZIAGYGMSSA-N 322.409 -0.242 30 20 DBED Cc1cc(C#N)nc(N(C)CCNC(=O)[C@H]2C[C@H]2C(N)=O)n1 1100327883 CPKSWFYCNWOPLL-MNOVXSKESA-N 302.338 -0.670 30 20 DBED CCN(CCNC(=O)c1nnn(C)n1)c1ccnc(C#N)n1 1100678914 BVOBQVXTIUTAOU-UHFFFAOYSA-N 301.314 -0.872 30 20 DBED COC(=O)NCC(=O)NC[C@@H]1CCCN1c1nccnc1C#N 1100802566 PAQRMLNPXGKRQY-JTQLQIEISA-N 318.337 -0.211 30 20 DBED C#CCCNC1CC(CNC(=O)[C@H]2COCCN2C(C)=O)C1 1101004952 PEWCXFYXTBKCLQ-YMAMQOFZSA-N 307.394 -0.259 30 20 DBED C#CCCNC1CC(CNC(=O)CCS(=O)(=O)N(C)C)C1 1101019978 CFRASFBZHOEEJL-UHFFFAOYSA-N 315.439 -0.224 30 20 DBED CC(C)(C(N)=O)C(=O)NC[C@H]1CCN(c2cnc(C#N)cn2)C1 1101022395 GYBSSNLVKVGQFJ-SNVBAGLBSA-N 316.365 -0.198 30 20 DBED CNC(=O)CC(=O)NC1(CN=c2cc[nH]c(C#N)n2)CCCC1 1103421870 AZBKEUFIHCUPEA-UHFFFAOYSA-N 316.365 -0.253 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)[C@H](C)CC(N)=O 1104155528 GCYAEWIPMVVRME-VHSXEESVSA-N 304.354 -0.554 30 20 DBED CNC(=O)NCC(=O)NC[C@@H](C)CNc1nccnc1C#N 1104246340 PXRMKLCLCLXTAA-SECBINFHSA-N 305.342 -0.559 30 20 DBED C[C@H](CNc1ccc(C#N)nn1)N(C)C(=O)C1CS(=O)(=O)C1 1104698006 MJMHVQCMFYAYQI-SECBINFHSA-N 323.378 -0.348 30 20 DBED C[C@H](CC(N)=O)C(=O)N(C)[C@H](C)CN=c1cc[nH]c(C#N)n1 1104752585 QITDELBCCVMGOP-NXEZZACHSA-N 304.354 -0.460 30 20 DBED CC(=O)N[C@@H](C)C(=O)N(C)CCN(C)c1ccnc(C#N)n1 1105319280 GMQLNDPKSOYYFH-JTQLQIEISA-N 304.354 -0.233 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H](O)CNC(=O)c1cnnc(O)c1 1105992847 AZCKJAYLGGHQDL-LLVKDONJSA-N 314.305 -0.926 30 20 DBED C#CCCCC(=O)N1C[C@@H](C)[C@H](CNCC(=O)NC(N)=O)C1 1106065647 DFVYTDLCWBJWNW-VXGBXAGGSA-N 308.382 -0.331 30 20 DBED C[C@@H](CCNc1ncccc1C#N)NC(=O)[C@@H]1CNC(=O)N1 1106544337 ZKXRTFWWUKIRCT-ONGXEEELSA-N 302.338 -0.059 30 20 DBED CCN(CCNc1cnc(C#N)cn1)C(=O)CS(C)(=O)=O 1106686194 FEUPNBIHDLJPRM-UHFFFAOYSA-N 311.367 -0.347 30 20 DBED CCN(CCNc1ccc(C#N)nn1)C(=O)[C@H]1CCNC1=O 1106910347 ZYCWJKKIJZSWAR-NSHDSACASA-N 302.338 -0.255 30 20 DBED C[C@@H]1CN(C(=O)CN2C(=O)NC(C)(C)C2=O)C[C@H]1CNCC#N 1106948457 JEQUYQPEBVJBHO-GHMZBOCLSA-N 321.381 -0.476 30 20 DBED C=CCCN1CC(n2cc(CNC(=O)[C@H](C)NC(C)=O)nn2)C1 1107120242 ZYRCLTFUURBCNV-NSHDSACASA-N 320.397 -0.148 30 20 DBED CNC(=O)NCC(=O)NC/C=C/CN=c1cc[nH]cc1C#N 1107571467 DTVDOLFYOSDRCM-NSCUHMNNSA-N 302.338 -0.612 30 20 DBED C=CCN1CCO[C@](C)(CNC(=O)CS(=O)(=O)N(C)C)C1 1108372594 LGAHDLIEEGOFDA-CYBMUJFWSA-N 319.427 -0.729 30 20 DBED C=CCN1CCO[C@](C)(CNC(=O)CC[C@@H]2NC(=O)NC2=O)C1 1108385983 VFRHUSHIQJLFSO-XHDPSFHLSA-N 324.381 -0.632 30 20 DBED CC#CCN1CCO[C@](C)(CNC(=O)CN2C(=O)CCC2=O)C1 1108386377 DCTJUQGCTNXEGX-MRXNPFEDSA-N 321.377 -0.634 30 20 DBED C=C[C@@H](CC)CC(=O)N[C@@H]1CC(=O)N(C2CN(CCO)C2)C1 1108567181 YBLUVWSNRNBJEY-QWHCGFSZSA-N 309.410 -0.018 30 20 DBED CCc1nc(C#N)cc(NC[C@H](C)NC(=O)c2nnn(C)n2)n1 1108642001 KOWAVKCLQSDUII-QMMMGPOBSA-N 315.341 -0.335 30 20 DBED C[C@@H](CN(C)c1ccc(C#N)nn1)NC(=O)[C@H]1CN(C)CCO1 1108904975 GBANAHLKFBANMM-WCQYABFASA-N 318.381 -0.380 30 20 DBED CNS(=O)(=O)CC(=O)NCC1(Nc2ccc(C#N)cn2)CC1 1110148660 OLZZPSLOISQCLU-UHFFFAOYSA-N 323.378 -0.437 30 20 DBED N#Cc1ccc(NC2(CNC(=O)[C@H]3CCNC3=O)CC2)nn1 1110301167 CKRWICURDJBFHH-JTQLQIEISA-N 300.322 -0.455 30 20 DBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cccnn1 1111175263 WHFVCKXAPDVKRV-RTXFEEFZSA-N 314.349 -0.549 30 20 DBED CNC(=O)NCC(=O)N1C[C@@H](NCC#N)[C@H](C(F)(F)F)C1 1112111311 PZJWPGWGMYRCIQ-HTQZYQBOSA-N 307.276 -0.582 30 20 DBED N#CCNC[C@]12CCC[C@H]1CN(C(=O)CN1CC(=O)NC1=O)C2 1112547065 SBVXJPVEMMLLBA-NHYWBVRUSA-N 319.365 -0.720 30 20 DBED N#CCSCC(=O)N1CCN(CC(=O)NCC2CC2)CC1 1112629291 ZIQURBLQYMZZSX-UHFFFAOYSA-N 310.423 -0.086 30 20 DBED CNC(=O)CC(=O)NC[C@H]1CN(c2ccc(C#N)cn2)C[C@@H]1O 1112710101 SSBSWSSTWWBCLS-RYUDHWBXSA-N 317.349 -0.997 30 20 DBED COCC1(CC(=O)N2CCN(CC(=O)NCC#N)CC2)CC1 1112840900 YQEJAAUGTZFWKT-UHFFFAOYSA-N 308.382 -0.413 30 20 DBED C[C@H](C(=O)N1CCN(CC(=O)NCC#N)CC1)c1cncnc1 1113254814 PFHABJJQOBNNBX-LBPRGKRZSA-N 316.365 -0.636 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)C2(C(=O)NC)CC2)CC1 1113429161 MYQXKZHZDICWQW-GFCCVEGCSA-N 322.409 -0.653 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCNC(=O)C1)N(C)c1nccnc1C#N 1113575458 VVEFMMFIPCDQTQ-QWRGUYRKSA-N 316.365 -0.185 30 20 DBED C[C@H](CNC(=O)[C@@H]1CCC(=O)N1C)N(C)c1ccc(C#N)nn1 1113813899 WZQYESHKZXMHDE-PWSUYJOCSA-N 316.365 -0.090 30 20 DBED CNC(=O)NCC(=O)NC[C@@H](C)N(C)c1ncc(C#N)cc1F 1113939180 SETGUNWQPCFWPZ-SECBINFHSA-N 322.344 -0.038 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)c3ncc[nH]3)[C@H]2C1 1114237930 VSZNQNNKSSWDFZ-NNYUYHANSA-N 303.366 -0.240 30 20 DBED CNC(=O)NC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)C#CC3CC3)[C@H]2C1 1114257840 GXKKEMNQIOADFR-DLOVCJGASA-N 318.377 -0.710 30 20 DBED C#CCO[C@H](C)C(=O)NC1[C@@H]2CN(Cc3n[nH]c(C)n3)C[C@@H]12 1114270620 IRDQDOVACNZPTG-YUSALJHKSA-N 303.366 -0.302 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CN(c2cncc(C#N)n2)CC1(C)C 1114444112 PEWCWFCAOYPTNC-LLVKDONJSA-N 316.365 -0.185 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)[C@@H](C(C)C)N(C)C)[C@H]2C1 1114794417 INEBREYXSGNORW-HEHGZKQESA-N 320.437 -0.632 30 20 DBED C[C@@]1(C(=O)N[C@H]2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]32)CCCOC1 1115022612 DSLBYSUGBXXHPO-TWJWRFFLSA-N 320.393 -0.511 30 20 DBED COCCO[C@H]1CCN(C(=O)NCCn2cnc(C#N)n2)C1 1117311563 MLWJWYYRAJRIAR-NSHDSACASA-N 308.342 -0.403 30 20 DBED C#CCSCCNC(=O)C(=O)N1CCO[C@H](C(F)F)C1 1119074909 XYAMBEQZBPCSBE-VIFPVBQESA-N 306.334 -0.039 30 20 DBED C#CCOCCC(=O)N(C)C[C@H](C)Nc1nccn2nnnc12 1120093372 LNENKEZPWBLYIG-NSHDSACASA-N 317.353 -0.182 30 20 DBED C#CCOCCn1nnnc1N1CCN(C(=O)C2CC2)CC1 1120159755 DZJRIMGVDTVCDQ-UHFFFAOYSA-N 304.354 -0.619 30 20 DBED Cc1c[nH]nc1C(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1 1121529266 WTYPDFWHHAQEHA-SECBINFHSA-N 301.310 -0.996 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H](CO)CNC(=O)Cc1cncs1 1122152983 MRDXTKVBMSTRMX-LLVKDONJSA-N 317.374 -0.037 30 20 DBED Cc1cc(C#N)nc(N[C@@H](CO)CNC(=O)[C@@H]2[C@H]3COC[C@H]32)n1 1122372509 QGIUBNWMMGIIBM-NDBYEHHHSA-N 317.349 -0.562 30 20 DBED C[C@H]1CCN(CC(=O)NC[C@H](CO)Nc2cncc(C#N)n2)C1 1122526863 MSHIOSCYFUTVMH-WCQYABFASA-N 318.381 -0.421 30 20 DBED N#Cc1nc(=N[C@H](CO)CNC(=O)Cc2ccccc2)cc[nH]1 1122809367 VYSJUVPDSVCZFH-ZDUSSCGKSA-N 311.345 -0.098 30 20 DBED N#CCSCC(=O)NCCNCC(=O)NCc1cccnc1 1123787892 XGDKWBHJDDOFRW-UHFFFAOYSA-N 321.406 -0.340 30 20 DBED COC[C@H](C)C(=O)N(C)C[C@H](O)CN(C)c1ccc(C#N)nn1 1124989442 WMSLEOXVDWLQTF-WCQYABFASA-N 321.381 -0.114 30 20 DBED C#CCNC(=O)CC(=O)NCCNCc1ccc([N+](=O)[O-])cc1 1125977832 HCJIYKKAJVEBJW-UHFFFAOYSA-N 318.333 -0.060 30 20 DBED C=C(Br)CNCCNC(=O)Cn1cnnc1O 1126022167 ZLKNYFXKYIKXGL-UHFFFAOYSA-N 304.148 -0.402 30 20 DBED CNC(=O)NCC(=O)NCCNCc1ccc(C#N)cc1F 1128789909 OJQRMKBIEYJCBM-UHFFFAOYSA-N 307.329 -0.168 30 20 DBED CC#CCN[C@@H]1CN(C(=O)c2cnns2)C[C@@H]1n1ccnn1 1129607861 FLRIRDFGXWZREB-MNOVXSKESA-N 317.378 -0.192 30 20 DBED N#CCN1CCOC[C@@H]1c1n[nH]c(CNC(=O)C#CC2CC2)n1 1130849418 KDVWBQUZRBGWCZ-GFCCVEGCSA-N 314.349 -0.269 30 20 DBED CCOCC(=O)N1CC[C@H](N2C(=O)O[C@H]3CN(CC#N)C[C@H]32)C1 1131297944 PJWUCAADNOXPJT-XQQFMLRXSA-N 322.365 -0.348 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)[C@@H]1C[C@H](C)CO1 1131527713 ZVYICALNSWHTPJ-QWRGUYRKSA-N 312.370 -0.871 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](C)O[C@@]2(CCN(CC#N)C2)C1 1131652551 KEGBFAKUQQAXOI-CZUORRHYSA-N 318.377 -0.659 30 20 DBED C#CCN1C[C@@H](NC(=O)C(C)(C)NS(C)(=O)=O)CC[C@H]1C 1132340752 YLSSCLQTZFKSGY-NEPJUHHUSA-N 315.439 -0.084 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@H]1CCCc2nn(C)cc21 1132926596 HEOLNYKLUFYTQI-LBPRGKRZSA-N 319.409 -0.152 30 20 DBED C[C@H]1CCN(C(=O)c2nnc(O)nc2O)C[C@H]1CNCC#N 1132956075 XQEBIBIIJXFXKQ-DTWKUNHWSA-N 306.326 -0.506 30 20 DBED COCC#CCNC[C@H]1CN(C(=O)c2nnn(C)n2)CC[C@@H]1C 1133034493 DMSGKMHTHXMFIO-STQMWFEESA-N 320.397 -0.452 30 20 DBED C#Cc1cncc(C(=O)NCCNCCOCCNC(C)=O)c1 1133593302 YDXVDMTYWFYAKG-UHFFFAOYSA-N 318.377 -0.465 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)Cc1ccon1 1133987005 CBDZEYSYXGNTAA-RYUDHWBXSA-N 306.366 -0.161 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)c1cc(OC)no1 1134139754 SOJZWRWSXWVZHK-QWRGUYRKSA-N 322.365 -0.081 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)Cc1cncnc1 1134218276 BJBGPWUGPKNVLM-OLZOCXBDSA-N 317.393 -0.359 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)c1[nH]c(O)nc1C 1134681306 VFXVKDDCEQVBSJ-ZJUUUORDSA-N 321.381 -0.340 30 20 DBED C[C@@H](C[C@H](C)NC(=O)CN1CCS(=O)(=O)CC1)NCC#N 1146313605 HWDACDKXKLSVOM-RYUDHWBXSA-N 316.427 -0.887 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC2(CN(C(=O)[C@H]3CCOC3)C2)C1 1147104921 ASJBNCPWGKPXHN-KBPBESRZSA-N 319.405 -0.305 30 20 DBED CC(C)C#CC(=O)N1CC2(CCN(Cc3nc(=O)n(C)[nH]3)C2)C1 1147498690 FOLXRCMTUOKHKE-UHFFFAOYSA-N 317.393 -0.198 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)[C@@H]2CCN(C(C)=O)C2)C1=O 1149317846 PTJHQLJKRYQNNK-KGLIPLIRSA-N 322.409 -0.653 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)CN(C)C(=O)C(C)C)C1 1149804133 JYEUGRUEDMIUAQ-CQSZACIVSA-N 309.410 -0.059 30 20 DBED C=C(C)CN1CCCO[C@@H](CNC(=O)C[C@@H]2CC(=O)NC2=O)C1 1150831057 KOWDPSIXQNQMRG-OLZOCXBDSA-N 323.393 -0.178 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@H](C)OC[C@H]1CCCO1 1153177001 NCFJVPHZNDYMFV-QWHCGFSZSA-N 313.398 -0.422 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)CCC(=O)NCC 1155684301 QSIBSUAXIANKSE-GFCCVEGCSA-N 310.398 -0.864 30 20 DBED COCC(=O)N(C)CC(=O)NCCC1=CCN(CC#N)CC1 1160273494 CRTQOHQCNOSGJE-UHFFFAOYSA-N 308.382 -0.247 30 20 DBED C#CCNC(=O)CNCCCC[C@H](C)NC(=O)[C@H]1COC(=O)N1 1170492617 JMVQPYWGXBHUCL-NWDGAFQWSA-N 324.381 -0.891 30 20 DBED Cn1nncc1C(=O)NCCCCCCNCC(=O)NCC#N 1178369588 UAPJQTIHNGAVFQ-UHFFFAOYSA-N 321.385 -0.665 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC[C@H](NCCN2CCNC2=O)[C@@H]1C 1178572220 BAFKWASAKDLCFE-HEHGZKQESA-N 324.425 -0.082 30 20 DBED C#CCNCCCCCCNC(=O)c1cnc(O)n(C)c1=O 1179209095 YKPCYGGUPQHANH-UHFFFAOYSA-N 306.366 -0.001 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)CC[C@@H]2CCCN2C)C1 1183389255 CEDNAGGZQQOOPT-CABCVRRESA-N 320.437 -0.199 30 20 DBED C=CCNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CC23CC3)C1 1185890322 XZCBMQAKPGONIF-NEPJUHHUSA-N 320.393 -0.011 30 20 DBED N#CCNCc1cn([C@H]2CCCN(C(=O)c3cnn[nH]3)C2)nn1 1185963256 PRZCVCDLSLSRAN-NSHDSACASA-N 315.341 -0.513 30 20 DBED CNC(=O)NCC(=O)N1CC[C@H]2CN(CC#CCOC)C[C@H]21 1188152238 SRPDRJNGJYDVJW-QWHCGFSZSA-N 308.382 -0.902 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)CSCC#N)C1 1188959303 QLTZMJBQCVOSKV-LBPRGKRZSA-N 308.407 -0.475 30 20 DBED CCNC(=O)NC(=O)CN(C)[C@H]1CCN(C(=O)[C@@H](C)C#N)C1 1189389139 HNPYRFPHKKJNPM-QWRGUYRKSA-N 309.370 -0.476 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2noc(CC)n2)C[C@H]1O 1192844233 MRKBLLLBCWTNHS-QJPTWQEYSA-N 322.365 -0.668 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)C2(C3CC3)CC2)C1 1193978663 WCOWKPRIQRINFO-IACUBPJLSA-N 319.405 -0.524 30 20 DBED Cc1nccc(C(=O)N2CC[C@H](N(C)CC(=O)NCC#N)C2)n1 1194060831 QZSWAAACJCHYRU-LBPRGKRZSA-N 316.365 -0.429 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1CN([C@@H](C)c2nnnn2C)C[C@H]1O 1195312527 PMPXPCQOMXGILC-HBNTYKKESA-N 308.386 -0.355 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)c2cccnc2C)C1 1195683497 BJAOQTBGJUJTKG-HUUCEWRRSA-N 303.362 -0.185 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)CCCS(C)(=O)=O)C1 1196844500 FYHQRDCSHSIZOW-CHWSQXEVSA-N 318.439 -0.061 30 20 DBED N#CCNC(=O)CN1CCCN(C(=O)Cc2cnc[nH]2)CC1 1197269588 QFXQVRKXDJXNLB-UHFFFAOYSA-N 304.354 -0.874 30 20 DBED C=CCNC(=O)NC(=O)CNC[C@H]1CN(C(C)=O)CCCO1 1199598953 AZPSUTRVONKHQG-LBPRGKRZSA-N 312.370 -0.775 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)c2cn(C)cn2)CC1 1200056630 BXHIRWTUBJHWRU-UHFFFAOYSA-N 305.382 -0.084 30 20 DBED COCC#CCNC[C@H]1CN(C(=O)Cc2cnc[nH]2)CCCO1 1201484428 UJDQZXYWKHAKSH-HNNXBMFYSA-N 320.393 -0.191 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)[C@]2(C)CCNC2=O)CC1 1202479209 KWAYGCKLJZKUBG-MRXNPFEDSA-N 322.409 -0.605 30 20 DBED CN(C)CCC(=O)N[C@H]1C[C@H](NCC(=O)NCC#N)C12CCC2 1203347565 AJHFFBANEMBQTG-STQMWFEESA-N 321.425 -0.405 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)CC[C@@H](C)OC)[C@H](C)C1 1206894866 WQNJJJBFJSSSMQ-MGPQQGTHSA-N 309.410 -0.013 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)[C@@H]1CCCOCC1 1206909967 FEUHLNVAMBTZQK-MGPQQGTHSA-N 322.409 -0.121 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCCN(C(=O)c2cnns2)C1 1207506229 GWKXOUDYRBVHSM-MNOVXSKESA-N 321.406 -0.130 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)C[C@@](C)(O)C2CC2)C1 1207820039 OJNZGNVOGAYBJS-RHSMWYFYSA-N 321.421 -0.133 30 20 DBED C=CCOCCN1C[C@@H](NC(=O)[C@@H]2CN(C)C(=O)N2)[C@H](C)C1 1208298381 LRYRALZBSOHSIN-UPJWGTAASA-N 310.398 -0.351 30 20 DBED CO[C@@H]1CN(CC(=O)N2CCC2)C[C@H]1NC(=O)C#CC(C)C 1212231088 LCEWRGVPZCNOLN-ZIAGYGMSSA-N 307.394 -0.307 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2n[nH]c(C)n2)C[C@H]1OC 1212257387 ABGQYLGYKCWLEK-CYZMBNFOSA-N 321.381 -0.533 30 20 DBED C[C@@H]1CN(C(=O)c2ccncc2)C[C@H]1NCC(=O)NCC#N 1214044891 XZKYQXBDBNZEDI-DGCLKSJQSA-N 301.350 -0.229 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)Cc2[nH]cnc2C)C[C@H]1C 1216561493 WOOGGJYITADVQU-BXUZGUMPSA-N 319.409 -0.001 30 20 DBED CCc1nc[nH]c1C(=O)N1C[C@@H](NCC(=O)NCC#N)[C@H](C)C1 1216617908 DKLSELISJHHUEW-ZYHUDNBSSA-N 318.381 -0.338 30 20 DBED COCC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H](OC)C1CC1 1217743776 GCHPGYRSTSQUQN-XHSDSOJGSA-N 322.405 -0.027 30 20 DBED C=C(C)CN(CC)C(=O)CN1C[C@H](O)[C@H](NC(=O)[C@H](C)C#N)C1 1219378811 GDAWDSMNCZWVAH-MCIONIFRSA-N 322.409 -0.268 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)c2cnnc(C)c2)C1 1219512977 HZNUBHDCQJLGCJ-KGLIPLIRSA-N 304.350 -0.790 30 20 DBED C=C(C)C[C@H](C)C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[nH]2)C[C@@H]1O 1220190277 HRWIUMHMYAUOLD-TUAOUCFPSA-N 323.397 -0.628 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C2(C(C)C)CC2)C1 1220325023 UISYNZZDYRTDHV-OLZOCXBDSA-N 307.394 -0.667 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)C2(S(C)(=O)=O)CCC2)C1 1220655074 YUSMDSUQEWLPBG-NEPJUHHUSA-N 316.423 -0.309 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(CCC[C@@H](C)O)C[C@@H]2O)cn1 1220793008 MFJYQPOJNOODLD-WQVCFCJDSA-N 317.389 -0.001 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC(NC(=O)CCN(C)C)CC1 1229008492 OMCDUJQSSXTZNO-CYBMUJFWSA-N 308.426 -0.343 30 20 DBED C=CCNC(=O)CN1CC[C@H]1CN(C)C(=O)CN(C)C(C)=O 1230819404 UHIFJMFJCLSTJZ-ZDUSSCGKSA-N 310.398 -0.700 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C[C@H]1CCN1CC(=O)NCC#N 1234215357 KGVDEBJGFDZPDX-CHWSQXEVSA-N 306.366 -0.803 30 20 DBED N#CCn1cc(NC(=O)C(=O)N2CC[C@@H]3OCC[C@@H]3C2)cn1 1261460726 MXIOTWRTXHHSSV-PWSUYJOCSA-N 303.322 -0.017 30 20 DBED C#CC1CCN(C(=O)C(=O)NCc2cnc(N(C)C)n2C)CC1 1326100392 SPTLYZGXSPAPNS-UHFFFAOYSA-N 317.393 -0.026 30 20 DBED C=CCNC(=O)[C@H](C)S(=O)(=O)Cc1ncnn1CCF 1327048516 MICPBMIEQWINDF-VIFPVBQESA-N 304.347 -0.147 30 20 DBED C=CCOCCNC(=O)C(=O)N1C[C@H](CO)OC(C)(C)C1 1327104529 QFMQQYOJPLZKMU-LLVKDONJSA-N 300.355 -0.697 30 20 DBED C=CCOCCNC(=O)C(=O)N[C@H]1CCN(C(=O)OCC)C1 1327818683 MWUZUHBSOHDLIS-NSHDSACASA-N 313.354 -0.348 30 20 DBED C=CCN(C(=O)C(=O)NC[C@H](C)S(C)(=O)=O)[C@@H](C)COC 1328008537 ONINBLAAZHCFLL-QWRGUYRKSA-N 320.411 -0.415 30 20 DBED C=CCOCCNC(=O)C(=O)N1CCC[C@@H](S(C)(=O)=O)C1 1328698189 ZIKZWQQIARKPKX-LLVKDONJSA-N 318.395 -0.659 30 20 DBED CCO[C@@H]1CCCN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)C1 1329448304 NXPAFRWCPWWRJS-IUODEOHRSA-N 309.366 -0.109 30 20 DBED CON(C)C(=O)[C@H](C)NC(=O)C(=O)Nc1ccn(CCC#N)n1 1330086183 VWLXGJPIAJKORU-VIFPVBQESA-N 322.325 -0.740 30 20 DBED N#Cc1ccc(CNC(=O)C(=O)NC[C@@H]2COCCN2)cc1 1331581451 CEXBVKJLOZZNHE-CYBMUJFWSA-N 302.334 -0.721 30 20 DBED C#CCCN(CCOC)c1nnnn1CCCN1CCOCC1 1334462708 NUMDJSZEDMMEQA-UHFFFAOYSA-N 322.413 -0.129 30 20 DBED CNC(=O)[C@H]1CCCN(C(=O)C(=O)N2CCC[C@H](C#N)C2)C1 1334963248 PZBCSCPQVSSVGZ-NEPJUHHUSA-N 306.366 -0.267 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)NCC[C@H]2CCNC2)CCN1C1CC1 1337470294 ACXDVKZGDPTBFE-OCCSQVGLSA-N 319.409 -0.699 30 20 DBED C#C[C@H](NC(=O)C(=O)NC[C@H](OC)C(F)(F)F)[C@H]1CCCO1 1347010928 FQCPNHZRWOTTDB-AEJSXWLSSA-N 322.283 -0.023 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)NCc1ccco1 1347178033 DSMHDOKTWYBYGE-UHFFFAOYSA-N 300.336 -0.387 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)[C@H]2CCc3nnc(O)n3C2)C1=O 1353678536 LRZAHLUIJCFDQL-QWRGUYRKSA-N 319.365 -0.209 30 20 DBED COc1ncccc1NC(=O)Cn1cc(C#N)c(O)nc1=O 1361938601 XOUPSQJIJCUFBD-UHFFFAOYSA-N 301.262 -0.137 30 20 DBED C[C@H]1[C@@H](C)N(C)CCN1C(=O)CCn1cc(C#N)c(O)nc1=O 1362256105 UMGIEFBUEWQLNL-MNOVXSKESA-N 319.365 -0.238 30 20 DBED C[C@H]1[C@@H](C)N(C(=O)CCn2cc(C#N)c(O)nc2=O)CCN1C 1362256122 UMGIEFBUEWQLNL-WDEREUQCSA-N 319.365 -0.238 30 20 DBED C[C@@H]1CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)[C@@H]1CO 1362503748 UEOPBRDKOVQZNQ-MWLCHTKSSA-N 306.322 -0.560 30 20 DBED N#Cc1c(F)cccc1C(=O)NC[C@@]1(O)CCS(=O)(=O)C1 1362693551 ONVGPAMMOUUEDC-ZDUSSCGKSA-N 312.322 -0.023 30 20 DBED COc1cc(C#N)ccc1OCC(=O)N1C[C@@H](O)[C@@H](CO)C1 1363247559 LZVDGPLBCGHBOF-VXGBXAGGSA-N 306.318 -0.243 30 20 DBED C=C(Br)CNC(=O)NC[C@@H]1CC(C(N)=O)=NO1 1367854194 MMQBTKKEPFBGES-LURJTMIESA-N 305.132 -0.176 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CCN(C(=O)c2cccc(C(N)=O)n2)C1 1372306197 WXFXKLZNXRXMKG-VHSXEESVSA-N 315.333 -0.329 30 20 DBED C[C@@H](CNC(=O)[C@H](C)C#N)NC(=O)c1ccc2nn[nH]c2n1 1373057763 AHYKRCPUUOQIJG-SFYZADRCSA-N 301.310 -0.253 30 20 DBED C[C@@H](C#N)C(=O)NCC1(C)CCN(C(=O)[C@H]2COC(=O)N2)CC1 1379990681 FSSGRRQAIDHQAS-WDEREUQCSA-N 322.365 -0.001 30 20 DBED COc1cc(CN2CC(O)(CNC(=O)[C@@H](C)C#N)C2)ccn1 1380581892 QIMNJOAWACHWAG-NSHDSACASA-N 304.350 -0.087 30 20 DBED Cc1nn[nH]c1C(=O)N[C@H](C)CNC(=O)c1c[nH]c(C#N)c1 1389242360 IZXYZJKOOFRZPQ-SSDOTTSWSA-N 301.310 -0.139 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)COCc2ccnn2C)CC1 1389965305 WYJWIURPQMBQRP-LLVKDONJSA-N 319.365 -0.139 30 20 DBED CCN(CCNC(=O)[C@@H](C)C#N)CC(=O)NC[C@H]1CCCO1 1390884906 GQGRPCOUWRCGFF-QWHCGFSZSA-N 310.398 -0.121 30 20 DBED COCC(=O)NCCC(=O)N(C)C[C@@H](C)NC(=O)[C@@H](C)C#N 1395591850 CBKMCCHYQJRJNT-WDEREUQCSA-N 312.370 -0.738 30 20 DBED Cc1nnc(N2CCO[C@H](C#N)C2)n1CC(=O)NCC(F)F 1395864797 LDPHOLCEDXZNMJ-SECBINFHSA-N 314.296 -0.303 30 20 DBED C[C@@H](CNC(=O)[C@@H](C)C#N)NC(=O)Cn1cc(C2CC2)nn1 1408307899 LMDDZKYQMFYFCH-UWVGGRQHSA-N 304.354 -0.064 30 20 DBED COC(=O)C1(C#N)CCN(C(=O)[C@@H]2CCS(=O)(=O)C2)CC1 1412102610 SMPKGWANSHBHCJ-SNVBAGLBSA-N 314.363 -0.274 30 20 DBED C[C@H](C#N)C(=O)NCCN(C)C(=O)c1cccn2nnnc12 1415599856 SPVMWTPBIFZNAZ-SECBINFHSA-N 301.310 -0.528 30 20 DBED CC(=O)N[C@@H](C)C(=O)NC[C@@H](O)CNCc1ccc(C#N)s1 1422283354 SLOGORUBACOXJA-ONGXEEELSA-N 324.406 -0.289 30 20 DBED CC(C)[C@@H](O)C(=O)N[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1O 1426523587 UWTOPHFNCMGMRH-JHJVBQTASA-N 320.349 -0.795 30 20 DBED CC(C)c1nnnn1CC(=O)NCCN(C)C(=O)[C@@H](C)C#N 1431272339 ZEHDOQLHIMTNBG-JTQLQIEISA-N 307.358 -0.469 30 20 DBED CC(=O)NCC(=O)N1CCC[C@H]1C(=O)Nc1n[nH]cc1C#N 1452036630 WWIBLWLOUPLVGX-JTQLQIEISA-N 304.310 -0.653 30 20 DBED Cn1cnc(C(=O)NCC2(NC(=O)c3ccc(C#N)[nH]3)CC2)n1 1453379398 MAKFHYCNYIAEER-UHFFFAOYSA-N 313.321 -0.293 30 20 DBED Cc1cc(C(=O)N(C)C[C@H](O)CNC(=O)[C@@H](C)C#N)ncn1 1488348296 NXOHXWRZTIMFOS-GXSJLCMTSA-N 305.338 -0.506 30 20 DBED CCN(CCNC(=O)[C@@H](C)C#N)C(=O)CN1CCCNC1=O 1496940025 ZBQBBYMBULTJFB-NSHDSACASA-N 309.370 -0.474 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H](CNC(=O)c1cnnc(O)c1)C1CC1 1524440040 JHFRJOVYMCJUHG-KWQFWETISA-N 303.322 -0.034 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1c[nH]c2ncccc12 1533269000 OWFPIIASNALREM-NXEZZACHSA-N 315.333 -0.071 30 20 DBED C#CCN(C(=O)CNC(=O)O)C1CCN([C@H](C)C(N)=O)CC1 1573301779 JXICGRFRHAOOFB-SNVBAGLBSA-N 310.354 -0.946 30 20 DBED C[C@H](CCN=c1cc[nH]c(-c2nn[nH]n2)n1)NC(=O)[C@H](C)C#N 1574671935 CSSKOFDKIYYTAH-RKDXNWHRSA-N 315.341 -0.455 30 20 DBED NC1(CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 1580145045 QVHSOBRIEHHWBZ-UHFFFAOYSA-N 322.390 -0.277 30 20 DBED C#C[C@H]1COCCN1CN1C(=O)N[C@](C)(CCC(=O)O)C1=O 1588383818 LRHHNHPGFLJBQC-IINYFYTJSA-N 309.322 -0.547 30 20 DBED C=CCNC[C@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCO1 1588663638 OFEAVGCVCNDHNN-NSHDSACASA-N 317.353 -0.189 30 20 DBED C=CCOC[C@H](NC(=O)Cc1nnc(NC)s1)C(=O)O 1588856138 CZBDEETWHLMPDU-ZETCQYMHSA-N 300.340 -0.106 30 20 DBED C[C@H](C(=O)N1CCC(C#N)(C(=O)O)CC1)N1C(=O)CCC1=O 1589345700 FVPHRUIYRKWDOW-SECBINFHSA-N 307.306 -0.259 30 20 DBED CN1C(=O)CC[C@H](Nc2cnc(-c3nn[nH]n3)c(C#N)n2)C1=O 1591163810 YDIVSFSENPGYGP-LURJTMIESA-N 313.281 -0.912 30 20 DBED COC(=O)[C@@H]1CC[C@H](C(=O)O)CN1C(=O)Cn1cnc(C#N)n1 1598764976 GNQCWOQGBRRISI-IUCAKERBSA-N 321.293 -0.985 30 20 DBED Cn1cc(N2C[C@@H](C(=O)N(CC#N)CC(=O)O)CCC2=O)cn1 1600962560 YALXRDGZDVCUNR-JTQLQIEISA-N 319.321 -0.400 30 20 DBED CO[C@@H](C(=O)O)C(=O)N1CCN(c2ccc(C#N)nc2)CC1 1604420701 AXMZHBJKUMQLDY-GFCCVEGCSA-N 304.306 -0.299 30 20 DBED CC(C)[C@](C)(C#N)NC(=O)CN1CCN(C)C[C@@H](C(=O)O)C1 1609684067 QKFMEJWMYKGJPX-DOMZBBRYSA-N 310.398 -0.011 30 20 DBED Cn1c(CCO)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1646671717 ZQMVGYUVMGLSDU-UHFFFAOYSA-N 313.365 -0.057 30 20 DBED CN1CCCC[C@H]1C(=O)N1CC[C@H](NCC(=O)NCC#N)C1 1713148379 MSVHUDUHDMDDSZ-STQMWFEESA-N 307.398 -0.699 30 20 DBED C=CCNC(=O)CN[C@H]1C[C@H](NC(=O)c2cnn(C)c2OC)C1 1752680100 JEKBOVCZGOACLN-XYPYZODXSA-N 321.381 -0.419 30 20 DBED N#CCNC(=O)CNC[C@H]1CCCN(C(=O)C2CCOCC2)C1 1752792544 OBBYWLZMIKWQCO-CYBMUJFWSA-N 322.409 -0.119 30 20 DBED C=C(Cl)CN1CC(CNC(=O)C[C@@H]2NC(=O)NC2=O)C1 1753403670 DPMYPYNZWZTRKM-VIFPVBQESA-N 300.746 -0.615 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)CCN(C)C(=O)c1c(C)ncn1C 1753856037 RSWZCTKBBMQCBA-CYBMUJFWSA-N 319.409 -0.130 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CNC(=O)CCc1ccn(C)n1 1754485257 RLLOUMFWFJMKLE-AWEZNQCLSA-N 317.393 -0.707 30 20 DBED C#CCN(C(=O)c1ccnnc1)C1CCN(CC(=O)NC)CC1 1754640916 JEVZYRNOEYSMTQ-UHFFFAOYSA-N 315.377 -0.238 30 20 DBED C#CCNC(=O)CN1CC2(C1)CN(C(=O)c1ccc[nH]1)CCO2 1755048587 BCJAQNITSKSJIX-UHFFFAOYSA-N 316.361 -0.709 30 20 DBED COCCOCCNCC1(O)CCN(C(=O)[C@@H](C)C#N)CC1 1755147715 FFBQZYPZKPCWHD-ZDUSSCGKSA-N 313.398 -0.248 30 20 DBED C=CCNC(=O)[C@H](C)NCC1CC(NC(=O)c2cnnn2C)C1 1755209413 GZOPLARLFZSWPB-UNXYVOJBSA-N 320.397 -0.396 30 20 DBED Cc1noc(C)c1C(=O)NC[C@H](C)N(C)CC(=O)NCC#N 1755290850 MVNORBKPZDXJCM-VIFPVBQESA-N 307.354 -0.019 30 20 DBED CCN(C)C(=O)CN1CC(CCO)(NC(=O)C#CC2CC2)C1 1755331404 KASNDGPIDAMDLA-UHFFFAOYSA-N 307.394 -0.569 30 20 DBED N#CCN[C@H](CO)CNC(=O)c1cc(-c2cccnc2)on1 1755636746 MQXDXMKPGNFHSR-NSHDSACASA-N 301.306 -0.060 30 20 DBED C[C@H](CCCNC(=O)CN1C(=O)CNC1=O)NC(=O)[C@H](C)C#N 1756342406 XZDGNTVWTHRHCF-NXEZZACHSA-N 323.353 -0.901 30 20 DBED CC(C)(C)C#CC(=O)NC[C@@H](CO)NC(=O)CCc1cnn[nH]1 1756520020 SNWOLBJKKNJAJK-LBPRGKRZSA-N 321.381 -0.620 30 20 DBED C#CCN1CCC(C(=O)NC[C@@H](CO)NC(=O)[C@H](C)C#N)CC1 1756529202 YXVDSCHXGJSHLO-OCCSQVGLSA-N 320.393 -0.915 30 20 DBED CN(C[C@H](O)CNC(=O)C#CC1CC1)C(=O)C[C@@H]1CCCO1 1756653510 GNKSECYTCQEGDU-KGLIPLIRSA-N 308.378 -0.096 30 20 DBED C=C[C@@](C)(CC)C(=O)N(C)C[C@H](O)CNC(=O)Cn1cncn1 1756675762 JFNSOQJLXYGTRN-DOMZBBRYSA-N 323.397 -0.184 30 20 DBED CC(C)N(CCN(C)C(=O)[C@@H]1CCNC1=O)C(=O)[C@H](C)C#N 1756699685 GTEBXPANDMGRLY-VXGBXAGGSA-N 308.382 -0.022 30 20 DBED C=CCOCC(=O)N(C)C[C@H]1CCN1C(=O)c1cnnn1C 1757279342 WOFGVAFAFLYHEL-LLVKDONJSA-N 307.354 -0.309 30 20 DBED CC(=O)NC[C@@H]1CN(S(=O)(=O)c2cncc(C#N)c2)CCO1 1771708601 WOACUDAPMIYPSP-GFCCVEGCSA-N 324.362 -0.521 30 20 DBED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)Cc3cc[nH]n3)C2)C1 1782797143 KDQHPFNEWWJLOW-OAHLLOKOSA-N 302.334 -0.585 30 20 DBED CC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC#N)COC1 1795416472 WAPTYOWFPSBOOC-DABQJJPHSA-N 321.377 -0.084 30 20 DBED N#CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C(O)O)CC1 1826317243 SCAROSOKRLYDAL-GFCCVEGCSA-N 309.366 -0.170 30 20 DBED CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C#CC1CC1)CCO2 1831213275 NPKIVHLPGUWKMI-MRXNPFEDSA-N 306.362 -0.124 30 20 DBED CC[C@@H](NC(N)=O)C(=O)N1CCCC12CN(C(=O)CC#N)C2 1843336060 ZWHMLUSLALAJGA-SNVBAGLBSA-N 307.354 -0.450 30 20 DBED CCS(=O)(=O)N1CCC[C@@H](C(=O)/N=C2/N=C(O)CN2)C1 50174946 PAIFZQPGHWVWNK-MRVPVSSYSA-N 302.356 -0.510 30 20 DBED N#CCCN(CCN1CCOCC1)C[C@H](O)Cn1cccn1 81515425 VGZPWRIXVVDSTA-HNNXBMFYSA-N 307.398 -0.208 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)CN(CC)C2CC2)CC1 132150675 NAIVTHBPRSSGJD-UHFFFAOYSA-N 320.437 -0.246 30 20 DBED C[C@@H](CC#N)NC(=O)Cn1cc(Br)c(=O)[nH]c1=O 194659748 PIQLPGWJTMBVOO-LURJTMIESA-N 315.127 -0.283 30 20 DBED CNC(=NCc1cccc(S(=O)(=O)NCCOC)c1)NC 267478066 ZYSAZIQXOCVSCM-UHFFFAOYSA-N 314.411 -0.094 30 20 DBED CCOC(=O)CO/N=C(/C(=O)N1CCC(=O)CC1)c1cc[nH]n1 276684499 PFIFPRRNMJDQBV-GHRIWEEISA-N 322.321 -0.115 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)[C@H](NC(=O)C2CC2)[C@@H](C)O)C1=O 281695753 LSJXCIDGNMCRSC-KGYLQXTDSA-N 323.393 -0.493 30 20 DBED C[C@H]1CN(CCS(=O)(=O)c2ccc(C#N)cn2)CC(=O)N1 296261853 PXHPXUNWEFDFJJ-JTQLQIEISA-N 308.363 -0.453 30 20 DBED CNC(=O)CN1CCN(C(O)=Nc2ccnc(OC)n2)CC1 331071641 SSJQZMNOLYLRKO-UHFFFAOYSA-N 308.342 -0.606 30 20 DBED C=CC[C@H](CO)CNC(=O)NC[C@@H]1CS(=O)(=O)CCO1 341851072 HMWAAKXDRXIINC-WDEREUQCSA-N 306.384 -0.716 30 20 DBED CC(=O)NCCNC(=O)CCC(=O)N1CCSC[C@H]1C#N 342216771 LRSGYJIMHYLDBZ-LLVKDONJSA-N 312.395 -0.514 30 20 DBED COC(=O)c1cc(S(=O)(=O)N2CCO[C@@H](C#N)C2)cn1C 342278811 CRGAPRNUOWYSSE-VIFPVBQESA-N 313.335 -0.275 30 20 DBED N#Cc1ccc(NCC(=O)NCCCN2CCNC(=O)C2)cc1 344712254 RENALGOJVLPAJC-UHFFFAOYSA-N 315.377 -0.092 30 20 DBED CC(C)[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N(C)C 349580235 ZATFSGSDANOYMY-SNVBAGLBSA-N 311.429 -0.265 30 20 DBED Cn1ncc(C(=O)NCCCN2CCC[C@H]2C(N)=O)c1C#N 355830685 PHSDQDHZSLTGFN-NSHDSACASA-N 304.354 -0.639 30 20 DBED C[C@@H]1CN(C(=O)c2cnn(C)c2C#N)CCN1S(C)(=O)=O 356705674 SUJSTYYLPAKJMM-SECBINFHSA-N 311.367 -0.602 30 20 DBED C=CC[C@H](CO)NC(=O)[C@H]1CC[C@@H](C(=O)N2CCOCC2)O1 357646831 CKLNWLOUPUZTQC-UPJWGTAASA-N 312.366 -0.554 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N(C)CC1(O)CCOCC1 407955831 JCYSVFAXIHPBAD-LLVKDONJSA-N 305.400 -0.204 30 20 DBED CN1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)CCC#N)CC1 408462404 YUUSQGDFCUSQKD-GFCCVEGCSA-N 314.411 -0.532 30 20 DBED C#CCNC(=O)C1CCN([C@H](C)C(=O)NCC(=O)OC)CC1 491201350 GUUNPQCOELUPSB-LLVKDONJSA-N 309.366 -0.875 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2cc(C3CC3)[nH]n2)CC1 491566844 IDZCEMLMYTZRBM-UHFFFAOYSA-N 315.377 -0.206 30 20 DBED C#CCN1CCC(C(=O)N[C@H]2CCN(S(C)(=O)=O)C2)CC1 491690614 BZQCCHARVBLESP-ZDUSSCGKSA-N 313.423 -0.518 30 20 DBED N#Cc1c(Cl)cccc1S(=O)(=O)N[C@H](CO)C(=O)O 548533090 ALWFDXUABFNEAV-MRVPVSSYSA-N 304.711 -0.065 30 20 DBED COc1cc(C#N)ccc1OCC(=O)N[C@H]1CC(=O)N(C)C1=O 550154768 AQZPBZGDNQFNMM-JTQLQIEISA-N 317.301 -0.181 30 20 DBED CN(CCCc1[nH]nc(N)c1C#N)CCS(=O)(=O)N(C)C 560915985 YIYVSJFPRFUPGI-UHFFFAOYSA-N 314.415 -0.381 30 20 DBED C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 565248962 CDNUJFLLLFYDQE-LOWDOPEQSA-N 308.382 -0.327 30 20 DBED Cn1c(N2CCC[C@H](CCO)CC2)c(C#N)c(=O)n(C)c1=O 577091408 DREBIUKJQNFPJQ-NSHDSACASA-N 306.366 -0.055 30 20 DBED Cn1c(N2CCC3(CCNC3)CC2)c(C#N)c(=O)n(C)c1=O 596013219 FIUXHCPKGJFVFZ-UHFFFAOYSA-N 303.366 -0.464 30 20 DBED CN1CC[C@@H](N2CCC(N=c3nc[nH]cc3C#N)CC2)C1=O 601178461 RBLLIVKJPLSPMT-CYBMUJFWSA-N 300.366 -0.123 30 20 DBED Cc1nc(S(=O)(=O)NCCC(=O)NC2(C#N)CC2)cn1C 609990922 SBAGXJDJOUMEQM-UHFFFAOYSA-N 311.367 -0.431 30 20 DBED CC#CC[C@H](CO)NC(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 649193623 JUDYSMXYWIRZCA-CWFCOSEVSA-N 316.357 -0.316 30 20 DBED C=CC[C@H](CO)CNC(=O)N[C@H]1CS(=O)(=O)C[C@@H]1OC 666104674 XCSMQJWBMCGZOZ-DCAQKATOSA-N 306.384 -0.718 30 20 DBED N#C[C@@]1(F)CCN(CC(=O)c2c(O)nc(=O)n(C3CC3)c2N)C1 682436528 ZKHZCBORSYAUER-AWEZNQCLSA-N 321.312 -0.014 30 20 DBED N#Cc1ccc([C@@H](NCCN2C(=O)CNC2=O)C(=O)O)cc1 739107518 RNMIONZINDTJRN-GFCCVEGCSA-N 302.290 -0.175 30 20 DBED C#CCOCCC(=O)OCC(=O)N1CCC2(CC1)OCCO2 756301368 IIJZHPDCKGJBKV-UHFFFAOYSA-N 311.334 -0.065 30 20 DBED CC#CCCOC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 760290299 XWSHBBDEQYHLPZ-NEPJUHHUSA-N 313.375 -0.021 30 20 DBED C#C[C@@H](NCc1nc2c(=O)n(C)c(=O)n(C)c2[nH]1)[C@@H]1CCCO1 775796392 XTNMIOVGYWSFIS-ZJUUUORDSA-N 317.349 -0.769 30 20 DBED CCS(=O)(=O)NCC(=O)OCC(=O)NC1(C#N)CCC1 784232153 QJPCHPHJUAWJGK-UHFFFAOYSA-N 303.340 -0.969 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(CCO[C@H](C)C#N)c1=O 801655978 QDZGXULPWHFLTL-LLVKDONJSA-N 306.322 -0.528 30 20 DBED CC(C)C1(O)CN(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1 806782199 VSJKBWFBHSMGMJ-SEYXRHQNSA-N 322.365 -0.075 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@H](C)C[S@@](C)=O)[C@H]1CCCO1 809223813 ULTGZSWMAJJHAS-LREIFRQCSA-N 300.380 -0.833 30 20 DBED C=C[C@H](O)C(=O)OCC(=O)N1CCN(c2cnccn2)CC1 814550289 RNPBCPSHDDHRDH-NSHDSACASA-N 306.322 -0.785 30 20 DBED CCOCCCNC(=O)[C@@H](C#N)C(=O)CCn1ncn(C)c1=O 815904730 ODCQRQGXOYUIDX-NSHDSACASA-N 323.353 -0.776 30 20 DBED C#CC[C@H](CO)NC(=O)CN1C(=O)NC2(CCCCC2)C1=O 816670087 LNSPVPBXAPPTES-LLVKDONJSA-N 307.350 -0.259 30 20 DBED CCN(CCC#N)c1c(-c2nn[nH]n2)c(=O)n(C)c(=O)n1C 821207018 IEYFQXFOXAJGBP-UHFFFAOYSA-N 304.314 -0.996 30 20 DBED C=C(CNC(=O)CN1CCCC1)CNC(=O)CN1CCCC1 824735301 CNUGVXLOKVBQGM-UHFFFAOYSA-N 308.426 -0.033 30 20 DBED C#CCN1CCN(C(=O)c2nnn(-c3cnn(C)c3)c2C)CC1 825287483 SEYCCJQGAZJANP-UHFFFAOYSA-N 313.365 -0.300 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CC2(F)F)CC1 831579476 DSEFNNIEJUNZKW-SECBINFHSA-N 307.322 -0.747 30 20 DBED N#CCCS(=O)(=O)NC(=O)C1(n2cnnn2)CCCCC1 845559819 IBJUFVAISSRUQJ-UHFFFAOYSA-N 312.355 -0.308 30 20 DBED C#CC[C@H](NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)C(=O)OC 861950417 FJBQTOHHQMXPRH-QWRGUYRKSA-N 316.379 -0.661 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N1CC[C@@](COC)(C(=O)O)C1 868335262 HUOVSBRRJYUHSM-MRXNPFEDSA-N 320.345 -0.579 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)NCC(C)(C)C(=O)NC 875596491 NWPLRRZZESMLDB-LLVKDONJSA-N 311.382 -0.581 30 20 DBED C#CC[C@H](CO)NS(=O)(=O)C1CCN(C(=O)OCC)CC1 882343399 UJBKCOKLXPMNGT-LLVKDONJSA-N 318.395 -0.089 30 20 DBED C#CCN1CCC[C@@H](NC(=O)N(C)CC(=O)N2CCOCC2)C1 890372564 JZTQSJBQIFPJQS-CQSZACIVSA-N 322.409 -0.416 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CCO[C@H]2C2CC2)CC1 906555855 MKBPTFRGEGRWRC-ZBFHGGJFSA-N 319.405 -0.305 30 20 DBED N#C[C@H]1CN(C(=O)C2CC(=O)C2)CCN1C(=O)C1CC(=O)C1 912535239 KLWSVYAODAEEPB-NSHDSACASA-N 303.318 -0.492 30 20 DBED CCOC(=O)[C@@H]1CCCN(CC(=O)NCC#CCN(C)C)C1 913525455 YCVPTAUWYAVHRL-CQSZACIVSA-N 309.410 -0.057 30 20 DBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)Nc1nc[nH]n1 914532711 SGGWESORKJJFNR-UHFFFAOYSA-N 306.307 -0.518 30 20 DBED C=CCCOCC(=O)O[C@H](C)C(=O)N[C@H]1CCS(=O)(=O)C1 920724518 FERAAHAJAWNLDR-MNOVXSKESA-N 319.379 -0.186 30 20 DBED C#CCNC(=O)CN1CCN([C@@H](C(=O)OC)[C@@H](C)CC)CC1 929510663 IVTPEXRKVNNJEY-DZGCQCFKSA-N 309.410 -0.059 30 20 DBED C#CCN1CCN(C(=O)CN2C[C@H]3CCN(C)C[C@H]3C2)CC1 931435129 HHLYXTZLGXEWNF-CVEARBPZSA-N 304.438 -0.353 30 20 DBED CN(C(=O)c1c[nH]c(C#N)c1)[C@@H]1CCN(C(=O)c2nc[nH]n2)C1 939082047 QTCVSMUMRYKQGM-LLVKDONJSA-N 313.321 -0.009 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1 942447733 CRXOXTYTQSUBKD-LPWJVIDDSA-N 321.377 -0.427 30 20 DBED C[C@@H](C#N)C(=O)N1CCCC[C@H](NC(=O)Cn2nccn2)C1 943273603 PPDXKNFYVNCCLO-RYUDHWBXSA-N 304.354 -0.065 30 20 DBED CO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)c1ccncn1 946033197 BFLMBPUIGHTURE-ZIAGYGMSSA-N 314.345 -0.154 30 20 DBED CO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1NC(=O)Cn1ccc(C)n1 946804440 MHZQGTDHVAGRIA-CYZMBNFOSA-N 319.365 -0.307 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)C[C@@H]1CCNC1=O)CCO2 949112068 KVUKBMACYNQPNM-AWEZNQCLSA-N 319.405 -0.161 30 20 DBED N#Cc1c[nH]c(C(=O)NCC2CCN(C(=O)C(N)=O)CC2)c1 949374391 DNQVKVLZALEZHB-UHFFFAOYSA-N 303.322 -0.660 30 20 DBED N#Cc1cc(C(=O)NC[C@@H]2CCN2C(=O)Cn2cncn2)c[nH]1 949497089 DWJJROBOGILWIM-LBPRGKRZSA-N 313.321 -0.491 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CCCN(C(=O)CC(N)=O)C2)nc1 950262636 OEQDBWFKLPEYEI-GFCCVEGCSA-N 314.345 -0.341 30 20 DBED CCN(C(=O)[C@H]1CCc2nnnn2CC1)C1CN(CC#N)C1 952297031 HQJLTQGNHXAEBL-NSHDSACASA-N 303.370 -0.318 30 20 DBED C#CCCN1C[C@@H](O)[C@@H](CNC(=O)c2cc3n(n2)CCC3)C1 958125799 CFCYOIQEDJKXLH-SWLSCSKDSA-N 302.378 -0.125 30 20 DBED C#Cc1cncc(C(=O)NC2[C@@H]3CN(Cc4nnn(C)n4)C[C@@H]23)c1 961709238 AUWSKTDGDSCKSV-CHWSQXEVSA-N 323.360 -0.553 30 20 DBED C=C(C)CCN1C[C@H]2[C@H](NC(=O)CN3CC(=O)N(C)C3=O)[C@H]2C1 962289276 RTNYGAJJQXBTPB-JYAVWHMHSA-N 320.393 -0.107 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)c3ccc[nH]3)C[C@@H]2O)[nH]1 962328356 FCIRBBUCNGZPCP-OLZOCXBDSA-N 313.317 -0.170 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]2[C@H]1CCCN2C(=O)c1nnn(C)n1 963466386 OCIFYODWOCVVRD-GMTAPVOTSA-N 317.353 -0.425 30 20 DBED Cc1ccc(C(=O)NC[C@@H]2COCCN2C(=O)[C@@H](C)C#N)nn1 964180907 LZQBFNAKXWCQNL-CMPLNLGQSA-N 317.349 -0.098 30 20 DBED O=C(NC[C@@H]1COCCN1C(=O)C#CC1CC1)c1cnon1 964309407 OFUXEGYZKBNJHE-LLVKDONJSA-N 304.306 -0.560 30 20 DBED N#Cc1ccc(C(=O)NC[C@H]2CCCCN2C(=O)CC(N)=O)[nH]1 964451701 MOBFAWUNBKRJFK-LLVKDONJSA-N 317.349 -0.127 30 20 DBED C[C@H]1CN(C(=O)CC(N)=O)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 966251257 SNTYQNWRXCIDPQ-GZMMTYOYSA-N 303.322 -0.662 30 20 DBED C[C@H](C#N)C(=O)N1CC(N2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 967177256 GAIPDWYWZMRLNR-OCCSQVGLSA-N 320.393 -0.320 30 20 DBED C=C(C)CN1CC[C@H](C)[C@H](NC(=O)CN2C(=O)CNC2=O)C1 968628433 YKSFXAHCQWJVQZ-NWDGAFQWSA-N 308.382 -0.059 30 20 DBED Cc1nc(C(=O)N[C@H](C)C2CN(CC#N)C2)nn1-c1nc[nH]n1 970243399 UWYFVQGTEGBUKT-MRVPVSSYSA-N 315.341 -0.733 30 20 DBED C=C(Cl)CN[C@@H]1CCN(C(=O)Cn2c(O)nnc2O)C1 970581095 CZKWXJRCHTZXLA-MRVPVSSYSA-N 301.734 -0.368 30 20 DBED Cn1oc(C(=O)N2CC(NC(=O)c3ccc(C#N)[nH]3)C2)cc1=O 990888210 RKMBEDOXRHGQSV-UHFFFAOYSA-N 315.289 -0.568 30 20 DBED CC#CCN1CCC[C@@H](NC(=O)CN2CC(=O)NC2=O)[C@H]1C 994025449 SGKLWAUMCKIZDO-VXGBXAGGSA-N 306.366 -0.469 30 20 DBED C#CCN[C@H]1CN(C(=O)Cn2ncnn2)CC[C@H]1C(F)(F)F 998262652 QLXXZFNAEJBYAM-ZJUUUORDSA-N 316.287 -0.325 30 20 DBED C#Cc1cncc(C(=O)NC2CN(C(=O)c3cnnc(O)c3)C2)c1 999318965 HJWWIDZJUSOTPR-UHFFFAOYSA-N 323.312 -0.187 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(CNC(=O)c2cnn[nH]2)C1 1003126875 NZAJFMRTDOVXHD-PWSUYJOCSA-N 305.338 -0.416 30 20 DBED C=C1CCC(C(=O)NCC2CN(C(=O)[C@@H]3CNC(=O)N3)C2)CC1 1004120297 URHHFNIZCXTFTM-ZDUSSCGKSA-N 320.393 -0.011 30 20 DBED C#CCN1CCC(N(C)C(=O)[C@@H]2CCN(C)S2(=O)=O)CC1 1006119416 CAUUDJMHJFFQSS-ZDUSSCGKSA-N 313.423 -0.424 30 20 DBED C[C@H](NC(=O)c1cn(C)c(=O)n1C)C1CN(C(=O)[C@H](C)C#N)C1 1006278189 IKOLGMCYKDCNQN-ZJUUUORDSA-N 319.365 -0.540 30 20 DBED C#Cc1cncc(C(=O)N[C@@H](C)C2CN(C(=O)C(N)=O)C2)c1 1006831961 HGHVEEHLBWMVOD-VIFPVBQESA-N 300.318 -0.875 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCCN(C(=O)Cn3ncnn3)C2)C1 1010829788 JQTSDINMDSQUDL-NSHDSACASA-N 317.353 -0.716 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C(=O)c2ccc(N(C)C)nn2)CC1 1011672482 PZZKXXKGVNMVAB-NSHDSACASA-N 316.365 -0.013 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H]2C(NC(=O)Cn3ncnn3)[C@H]2C1 1013151914 CNYGSKDBGDHYLZ-UWVGGRQHSA-N 304.354 -0.542 30 20 DBED C#CCCN1C[C@@H]2CC[C@H](C1)N2C(=O)c1nnc(O)nc1O 1017705106 RAAZIDCBJWLIMY-AOOOYVTPSA-N 303.322 -0.405 30 20 DBED C=CCn1cc(C(=O)N2CC[C@@H]3OCCN(C(C)=O)[C@H]3C2)nn1 1019881900 GGMSHVGDKOPYJW-KBPBESRZSA-N 319.365 -0.074 30 20 DBED C#CCN1[C@H]2CC[C@H]1CC(NC(=O)Cn1ncn(C)c1=O)C2 1021305263 UBCCSBYOEVBUKD-STQMWFEESA-N 303.366 -0.673 30 20 DBED C#Cc1cncc(C(=O)N[C@H]2C[C@@H](NCc3nnnn3C)C2)c1 1022685476 QBIMULQMXLVVRH-BETUJISGSA-N 311.349 -0.363 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc[n+]([O-])cc2)C1 1022981040 VXVOOCVEIXMKCI-CHWSQXEVSA-N 319.361 -0.166 30 20 DBED Cc1nn(CC(=O)N2C[C@@H]3CC[C@H](C2)N3CC#N)c(=O)n1C 1029569857 IAQQGIMTBXLPHI-TXEJJXNPSA-N 304.354 -0.911 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)c3ccc(O)nn3)C2)C1=O 1030079735 KMTXWAAKFWDHMT-LBPRGKRZSA-N 317.349 -0.617 30 20 DBED C#CCCN1CCO[C@H](CNC(=O)c2cnc3n2CCOC3)C1 1035403528 DGOUSBPJGZTKEQ-CYBMUJFWSA-N 318.377 -0.133 30 20 DBED C#CCCN1CCO[C@@H](CNC(=O)c2ccn3nnnc3c2)C1 1035473899 WXQGUFICBUNYAC-ZDUSSCGKSA-N 314.349 -0.422 30 20 DBED C#CCN[C@H]1CCN(C(=O)c2cn(C)c(=O)nc2O)C[C@H]1C 1036292511 RWGFGBLIBCTTBY-PWSUYJOCSA-N 304.350 -0.441 30 20 DBED C=C(C)CN1C[C@H]2C[C@H]1[C@@H]2NC(=O)CN1CCC(=O)NC1=O 1037658724 FMSWMDXHFLQQLO-UHIISALHSA-N 306.366 -0.307 30 20 DBED N#Cc1cc(C(=O)NC[C@H]2CCN2CC(=O)NC2CC2)c[nH]1 1038174410 GVEPHVSAMIXLIJ-CYBMUJFWSA-N 301.350 -0.031 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)CCc2cn[nH]c2)C1 1039829507 ZJJCIIBHTMYUNW-IAQYHMDHSA-N 319.365 -0.418 30 20 DBED C=CCCCC(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2CNC(=O)N2)C1 1040729501 QJXLAGPPERMBTK-XHDPSFHLSA-N 324.381 -0.896 30 20 DBED N#Cc1cnccc1N1C[C@@H](O)[C@H](NC(=O)[C@@H]2COCCO2)C1 1040928705 SXQQCHFOCIWHGN-BNOWGMLFSA-N 318.333 -0.966 30 20 DBED C#CCN1CC[C@]2(CCN(C(=O)Cn3nc(C)n(C)c3=O)C2)C1 1041811687 SHTFPKTUHZYNEU-INIZCTEOSA-N 317.393 -0.552 30 20 DBED Cc1nn(CC(=O)N2CC[C@]3(CCN(CC#N)C3)C2)c(=O)n1C 1041812375 YWXYLYYFYIOTPY-HNNXBMFYSA-N 318.381 -0.662 30 20 DBED C[C@@H]1CN(c2nccnc2C#N)C[C@H]1NC(=O)c1cn(C)nn1 1041857350 GNIBKDJWWNXEJB-MWLCHTKSSA-N 312.337 -0.269 30 20 DBED N#Cc1cc(C(=O)N2CC(O)(CNC(=O)[C@@H]3CCOC3)C2)c[nH]1 1041874297 QDFYZKAPNJXOCU-SNVBAGLBSA-N 318.333 -0.774 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)[C@H]2CCNC(=O)C2)C1 1041956654 UCNRDPZNZGBDKP-NSHDSACASA-N 309.366 -0.832 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)[C@H]2C[C@@H]2OCC)C1 1042802911 OZFNTMWSDIVUPM-STQMWFEESA-N 308.378 -0.096 30 20 DBED CC(C)(C)C(=O)C(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042958160 GDZIRQKXCNEHBJ-UHFFFAOYSA-N 306.362 -0.296 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)C2CC(OC)C2)C1 1043040986 DJRLKCKQTSMABD-PNESKVBLSA-N 324.377 -0.861 30 20 DBED Cc1nc[nH]c1C(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1043825446 BZZSETMQOFBXCQ-UHFFFAOYSA-N 302.334 -0.565 30 20 DBED Cc1cc(C#N)nc(N2C[C@H](O)[C@H](NC(=O)[C@@H]3CCCO3)C2)n1 1043845319 LKTXCKXXONMBPV-AGIUHOORSA-N 317.349 -0.499 30 20 DBED C=C[C@@](C)(CC)C(=O)NCC1(O)CN(C(=O)C2(C(N)=O)CC2)C1 1045781996 AKCSIXKGDUUXEN-AWEZNQCLSA-N 323.393 -0.456 30 20 DBED C=C1CC(C)(C(=O)NCC2(O)CN(C(=O)C(C)(C)C(N)=O)C2)C1 1046312364 WNZVHACEFRUVTB-UHFFFAOYSA-N 323.393 -0.456 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC(=O)N(C(C)C)C2)C1 1047401682 CWAIHWJQAOIUTI-KKUMJFAQSA-N 321.421 -0.230 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(CCF)c2)C1 1047436691 BWZMGSYUCRLWKR-KBPBESRZSA-N 308.357 -0.007 30 20 DBED CCCN(C)CCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)C#N)C1 1049395300 SMBIJBISQIKHQA-IHRRRGAJSA-N 324.425 -0.092 30 20 DBED C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)C[C@@H]1NC(=O)NC1=O 1049527322 OWMDPDIDGVCORC-TUAOUCFPSA-N 306.366 -0.164 30 20 DBED CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC(=O)NC(=O)N1 1049751205 CLPBHIDKJCJWMV-RWMBFGLXSA-N 318.377 -0.327 30 20 DBED N#CCN1CC[C@H]2[C@H]1CCCN2C(=O)Cn1c(O)nnc1O 1049867788 PATIXCAQQMWADF-ZJUUUORDSA-N 306.326 -0.722 30 20 DBED C#CCOCCC(=O)N[C@@H](C)[C@@H]1CCN(C(=O)CNC(N)=O)C1 1049990549 OTEWQWZUYQPVQK-NWDGAFQWSA-N 324.381 -0.952 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)c1ccnc2c1nnn2C 1051085060 ZSRGYWVHNKWJGK-NSHDSACASA-N 314.349 -0.573 30 20 DBED C#CCN1CC2(C1)CN(C(=O)[C@@H]1COCCN1CC)CCO2 1053321252 CECSZKYKCADDEA-AWEZNQCLSA-N 307.394 -0.747 30 20 DBED N#CCN1CC2(C1)CN(C(=O)COC1CCOCC1)CCO2 1053454141 SKBQJGFCEONRPW-UHFFFAOYSA-N 309.366 -0.381 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)c3ccc(O)nn3)CO2)C1 1053729483 OHGGYYQQPXPKBK-NSHDSACASA-N 302.334 -0.221 30 20 DBED CNC(=O)CN1CC2(C[C@@H](NC(=O)c3ccc(C#N)[nH]3)CO2)C1 1053774347 YGTHHVCNMMRGBV-LLVKDONJSA-N 317.349 -0.795 30 20 DBED C=CCCN1CC2(C[C@H](NC(=O)c3ccc(=O)n(C)n3)CO2)C1 1054002063 QCKLMTBQIDZSBZ-LBPRGKRZSA-N 318.377 -0.071 30 20 DBED N#Cc1cnccc1N1CCN(C(=O)Cn2cnnc2O)CC1 1055773776 FHOFJFWRCIBYGA-UHFFFAOYSA-N 313.321 -0.401 30 20 DBED C=C[C@@H](CC)CC(=O)N1CCC[C@@](CO)(NC(=O)C(N)=O)C1 1056090322 COLIBYAOOUELQT-XHDPSFHLSA-N 311.382 -0.456 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]2[C@@H]1CCCN2C(=O)CNC(N)=O 1056221033 PCTIBLSRGQXMBW-VWYCJHECSA-N 307.354 -0.594 30 20 DBED CC(C)(C)C#CC(=O)N(CCO)CCNC(=O)C1=COCCO1 1057538519 BCWBWCKTOBMLBN-UHFFFAOYSA-N 324.377 -0.139 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)CCOCC#C 1057580244 ALMBGRWQBBUHOQ-UHFFFAOYSA-N 308.378 -0.233 30 20 DBED N#Cc1ccc(N2CC[C@@H](NC(=O)[C@H]3CNC(=O)N3)C2)cn1 1058531702 WISFLBNHIZALFW-ZYHUDNBSSA-N 300.322 -0.670 30 20 DBED Cc1[nH]nc(C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N)c1C 1058653229 POQYEJWBOIUNHP-VIFPVBQESA-N 307.354 -0.263 30 20 DBED CN1CC[C@@H](C(=O)N[C@H]2C[C@H](Nc3nccnc3C#N)C2)C1=O 1059376663 HOJVJEGQGATVFF-DCAQKATOSA-N 314.349 -0.114 30 20 DBED C=CCCC(=O)NC[C@@H]1COCCN1C(=O)c1c[nH]c(=O)cn1 1061412779 SKKIHSPMBHFHKJ-LLVKDONJSA-N 320.349 -0.307 30 20 DBED N#Cc1nccnc1N1CC[C@@H](CNC(=O)[C@H]2COCCO2)C1 1061526173 XMUUHPPAVYCIKW-WCQYABFASA-N 317.349 -0.294 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1COCCN1C(=O)[C@@H]1CCCO1 1061570320 YQNHYVOFSAJTHY-KGLIPLIRSA-N 306.362 -0.078 30 20 DBED C#CCCCC(=O)N1CCOC[C@@H]1CNC(=O)CC(=O)N(C)C 1061597083 NOKLNKZTSKLNIJ-ZDUSSCGKSA-N 323.393 -0.388 30 20 DBED C#CCNC(=O)CC(=O)NCC1(NC(=O)[C@@H]2CCCO2)CCC1 1062829651 WAHDCAUZAIVWFD-LBPRGKRZSA-N 321.377 -0.540 30 20 DBED C#CCO[C@@H](C)C(=O)NC1(CNC(=O)CC(=O)NC)CCC1 1062844465 BTSONAWTKNFHCB-NSHDSACASA-N 309.366 -0.684 30 20 DBED C#CCOCCC(=O)NC1(CNC(=O)[C@@H]2COC(=O)N2)CCC1 1062903788 RSHCFAXIYUCLCJ-NSHDSACASA-N 323.349 -0.710 30 20 DBED CN(C(=O)Cn1cncn1)[C@@H]1CCN(c2nccnc2C#N)C1 1062932926 JRYLIRHPHMBGNP-LLVKDONJSA-N 312.337 -0.323 30 20 DBED N#Cc1ccc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)c2cc[n+]([O-])cc2)nn1 1064217596 ZTNUQBJNRSRANR-OSAQELSMSA-N 322.328 -0.011 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)CNC(=O)C2CC2)CCO1 1064904114 RMXDQMJPGWHHNK-ZDUSSCGKSA-N 323.393 -0.178 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)[C@@H]2COC(=O)N2)CCO1 1065109495 ZKWZVJDUCQGJJX-RYUDHWBXSA-N 323.349 -0.758 30 20 DBED Cn1cnc(C(=O)N[C@@]2(C)CCN(c3cnc(C#N)cn3)C2)n1 1065247609 GPJGIYIULPHGPW-AWEZNQCLSA-N 312.337 -0.124 30 20 DBED N#Cc1cncc(N2CC[C@@H]3[C@@H]2CCCN3C(=O)C(N)=O)n1 1066182825 ISDGZOKIPVCLJN-WDEREUQCSA-N 300.322 -0.597 30 20 DBED CCN(C)CCC(=O)N1CCOC2(C1)CN(C(=O)[C@@H](C)C#N)C2 1068461981 XMPIPNYYCXZUGE-ZDUSSCGKSA-N 322.409 -0.072 30 20 DBED C=CCOCC(=O)N1CCC[C@@H](NC(=O)Cn2nccn2)C1 1070552356 ORVCZWQXAIEJDW-GFCCVEGCSA-N 307.354 -0.412 30 20 DBED C=CCOCC(=O)N1C[C@@H](C)[C@@H](NC(=O)C(=O)NCC2CC2)C1 1071808309 GOFOFMTYCGKTKG-YPMHNXCESA-N 323.393 -0.322 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)CC[C@H]1NC(=O)CNC(N)=O 1073704590 JXMFCLBPMBALMH-ZYHUDNBSSA-N 306.366 -0.579 30 20 DBED C#CCCN1CCO[C@H]2CCN(C(=O)CS(C)(=O)=O)C[C@H]21 1074177050 FOYGSBNTQKMVJJ-OLZOCXBDSA-N 314.407 -0.644 30 20 DBED C#CCCN1CCO[C@@H]2CCN(C(=O)c3cnnn3C)C[C@@H]21 1074229909 PEYDZCNYBLSCHA-UONOGXRCSA-N 303.366 -0.246 30 20 DBED N#CCN1CCO[C@H]2CCN(C(=O)c3cnnc(O)c3)C[C@@H]21 1074270326 FYFSZHAQAPBRNI-RYUDHWBXSA-N 303.322 -0.379 30 20 DBED C[C@@H](CCNC(=O)CCn1cncn1)NC(=O)CSCC#N 1075637900 COPZSIMAZXNQAD-NSHDSACASA-N 324.410 -0.064 30 20 DBED C[C@@H](C(N)=O)N1C[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)[C@@H]2C1 1075703739 NXWOIXWDDHKFOZ-OUJBWJOFSA-N 301.350 -0.094 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)[C@@H]1CCOC1 1075848368 YSBODOVWLAKFCM-NWDGAFQWSA-N 309.366 -0.827 30 20 DBED C[C@@H](CCNC(=O)c1ccc(C#N)[nH]1)NC(=O)c1cn(C)nn1 1076177610 IJSJODDZQYYUPD-VIFPVBQESA-N 315.337 -0.047 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)c1cc(C)on1 1076217687 DCDVYPOAZGDPHM-JTQLQIEISA-N 320.349 -0.253 30 20 DBED C#CCOCCC(=O)N[C@@H](C)CCNC(=O)c1cnnn1C 1076342114 WNUPKBOMRYIJMX-NSHDSACASA-N 307.354 -0.520 30 20 DBED Cc1cccn2cc(CC(=O)N[C@@H]3CN(CC#N)C[C@H]3O)nc12 1077837652 GEWUMCIYPPYTFC-ZIAGYGMSSA-N 313.361 -0.130 30 20 DBED C[C@@H](C#N)C(=O)N1CCCO[C@H](CNCc2ncnn2C)C1 1078357688 ACVITFSSXQXBMW-NWDGAFQWSA-N 306.370 -0.318 30 20 DBED CN(C(=O)C#CC1CC1)[C@H]1CCCN(C(=O)CNC(N)=O)CC1 1078951793 ZXMMQORTODAPKU-ZDUSSCGKSA-N 320.393 -0.092 30 20 DBED C=CCOCC(=O)N(CC)C1CN(C(=O)CS(C)(=O)=O)C1 1079490484 RCXVTPIMDIVFGL-UHFFFAOYSA-N 318.395 -0.707 30 20 DBED C=CCOCC(=O)N1CC(N(CC)C(=O)[C@@H]2CN(C)C(=O)N2)C1 1080215827 DJEWONHZBKMNJN-LBPRGKRZSA-N 324.381 -0.728 30 20 DBED CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)[C@@H]2CCC(=O)NC2)C1 1080421933 VOEMADVPALKCQW-GHMZBOCLSA-N 306.366 -0.268 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1O 1081439690 SRPCFIXVDBAJCK-QWRGUYRKSA-N 305.338 -0.843 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(C(=O)C(C)(F)F)C[C@@H]1O 1081487032 ZZIXLFVKUMDOPP-MNOVXSKESA-N 318.320 -0.383 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2c[nH]nc2C)C1 1081636458 AIKYQHMTOUHLSG-DGCLKSJQSA-N 322.365 -0.530 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2cnon2)C1 1081684651 IVPJAKSNIZCQIX-ZYHUDNBSSA-N 306.322 -0.722 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)c2ncccc2NC(C)=O)C1 1083512108 ZLEDIXKGDBXPAT-KGLIPLIRSA-N 316.361 -0.162 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCN(CC(F)(F)F)C2)C1 1083729599 KGEAJHWCMFWHTE-MXWKQRLJSA-N 320.315 -0.445 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)c2cn([C@H]3CCOC3)nn2)C1 1083930169 YSSRWKDRAPKKBS-SCRDCRAPSA-N 321.381 -0.410 30 20 DBED C=CCCn1cc(C(=O)N(C)C[C@H]2CCN2CC(=O)NC)nn1 1085862984 NPLWHDHUTSVTGZ-GFCCVEGCSA-N 320.397 -0.254 30 20 DBED C=CCCN1CC[C@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)[C@H]1C 1088895614 MRPKKENCQHBCLH-MNOVXSKESA-N 322.365 -0.438 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2nc3nccc(C)n3n2)[C@@H](O)C1 1090774874 NAMQSZBJHQOXFF-NEPJUHHUSA-N 314.349 -0.769 30 20 DBED C[C@@]12CN(CC(N)=O)C[C@@H]1CN(C(=O)c1c[nH]c(C#N)c1)C2 1091612716 ANWJOIQBRIILNA-ABAIWWIYSA-N 301.350 -0.234 30 20 DBED Cn1nnc2c(C(=O)NCCN=c3cc[nH]c(C#N)n3)ccnc21 1094071963 DIAYGDYOOLPMPC-UHFFFAOYSA-N 323.320 -0.711 30 20 DBED C[C@H]1C[C@H](C(=O)NCc2cn(C3CN(CC#N)C3)nn2)CO1 1094301814 FVYIUNOPYSFHKU-QWRGUYRKSA-N 304.354 -0.300 30 20 DBED CCN1CCO[C@H](C(=O)NCCCNc2cnc(C#N)cn2)C1 1094446418 CANNYRYCGFKCQO-ZDUSSCGKSA-N 318.381 -0.013 30 20 DBED CN1C[C@@H](C(=O)NCCCN=c2cc[nH]c(C#N)n2)CCC1=O 1094460597 POOLNHGLUQAUAO-NSHDSACASA-N 316.365 -0.443 30 20 DBED COCC(=O)N[C@H](C)C(=O)NCCCN=c1cc[nH]cc1C#N 1094844903 ZOQBQFWZPYWNRZ-LLVKDONJSA-N 319.365 -0.556 30 20 DBED C[C@H](NC(N)=O)C(=O)N[C@H]1CCN(c2ccc(C#N)cn2)C1 1096356603 WZZJRRWQWQCNOU-ONGXEEELSA-N 302.338 -0.295 30 20 DBED CN(C)CCOCC(=O)N[C@H]1C[C@H](Nc2cnc(C#N)cn2)C1 1097049599 LUYDCRVPCAXIRH-HAQNSBGRSA-N 318.381 -0.014 30 20 DBED N#Cc1nccnc1N[C@H]1C[C@H](NC(=O)C(=O)NCC(F)F)C1 1097077792 ACLQZSMEPKBAGX-ZKCHVHJHSA-N 324.291 -0.211 30 20 DBED C=CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1CCCS1(=O)=O 1097177812 DLKKEVXFLLMTOH-UPJWGTAASA-N 313.423 -0.071 30 20 DBED C[C@H](CNC(=O)CN1CCCNC1=O)Nc1ccc(C#N)nn1 1098420237 JTVSOQWADRFCIG-SNVBAGLBSA-N 317.353 -0.320 30 20 DBED C=C(C)CN(CCO)C1CCN(C(=O)CCn2cnnn2)CC1 1098509304 AMOAMGXVIUHPQA-UHFFFAOYSA-N 322.413 -0.075 30 20 DBED Cc1nonc1C(=O)N1CC[C@@H](n2cc(CNCC#N)nn2)C1 1098789502 DKRFYSIRUJEFAP-LLVKDONJSA-N 316.325 -0.330 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H]2CC[C@H]1[C@@H]1CN(CC#N)C[C@H]21 1099468230 KXADALUYZPJIPR-TUVASFSCSA-N 314.389 -0.182 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)/C=C\C(C)(C)C)[C@@H](O)C1 1099749160 GXWICNCTQHMFHQ-KQYOJSHESA-N 321.421 -0.111 30 20 DBED C=CCCCN1CC[C@@H](NC(=O)CN2CCOCC2)[C@@H](O)C1 1099779192 XSCVDEDFHQMYFN-CABCVRRESA-N 311.426 -0.164 30 20 DBED C#CCCCCC(=O)N[C@H]1CCN(Cc2nnn(C)n2)C[C@H]1O 1099787121 UDHZRWXXHOWGIE-QWHCGFSZSA-N 320.397 -0.545 30 20 DBED Cc1occc1C(=O)NCC(=O)N[C@@H]1CCN(CC#N)C[C@H]1O 1099847492 NOFNJTIOOPHCQV-CHWSQXEVSA-N 320.349 -0.607 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)c2cc(F)c[nH]2)[C@@H](O)C1 1099920813 GFLULARTXVOFQQ-AAEUAGOBSA-N 322.340 -0.932 30 20 DBED CC#CCCCC(=O)N[C@@H]1CCN(Cc2nc(O)n[nH]2)C[C@H]1O 1099962561 QLHNMSILMKCOTP-VXGBXAGGSA-N 321.381 -0.245 30 20 DBED C#CCCN1CC[C@H](NC(=O)CNC(=O)C2CCC2)[C@@H](O)C1 1100125032 QZJCQWPUJBVPBQ-KBPBESRZSA-N 307.394 -0.523 30 20 DBED CN(CCNC(=O)[C@@H]1CCCNC1=O)c1ccnc(C#N)n1 1100184937 CTQCEAPYJVBLCB-SNVBAGLBSA-N 302.338 -0.573 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H]1CCCN1c1cc(F)ncn1 1100831928 MNFBGXVKZNESFW-LLVKDONJSA-N 319.340 -0.160 30 20 DBED CN(CCNc1cncc(C#N)n1)C(=O)[C@@H]1CCNC(=O)C1 1101548237 JIDABFNDFMWBCH-SNVBAGLBSA-N 302.338 -0.255 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)C2CCOCC2)C1 1101658420 SGEYEMAPVBCORA-UKRRQHHQSA-N 321.421 -0.154 30 20 DBED COCC(=O)N[C@@H](C)C(=O)N(C)CCNc1ccc(C#N)nn1 1102008274 KXSDUXFGULFNKT-JTQLQIEISA-N 320.353 -0.630 30 20 DBED C#CCN1C[C@@H](C)[C@H](CNC(=O)CS(=O)(=O)CCOC)C1 1102095584 XZWYBHSAANSQKO-CHWSQXEVSA-N 316.423 -0.635 30 20 DBED COCC#CCN1C[C@@H](C)[C@H](CNC(=O)Cn2cncn2)C1 1102559579 FAVJEXJTNJPJAG-ZIAGYGMSSA-N 305.382 -0.388 30 20 DBED C=CCOCCNCC[C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1C 1103866344 KWXDINAQEXWTKY-ZIAGYGMSSA-N 322.413 -0.050 30 20 DBED C[C@@H](CNC(=O)[C@H]1CN(C)C(=O)N1)CNc1ccc(C#N)nn1 1104177084 LTECMFNJMIRNBP-MWLCHTKSSA-N 317.353 -0.464 30 20 DBED CNC(=O)CC(=O)NC[C@H]1CN(c2ncccc2C#N)CCO1 1104308453 LKONQOIGVJIBPW-LBPRGKRZSA-N 317.349 -0.589 30 20 DBED CN(CCN(C)c1ccc(C#N)nn1)C(=O)[C@H]1CCNC(=O)C1 1105358675 VKCRHSWOINFSBC-NSHDSACASA-N 316.365 -0.231 30 20 DBED CN(CCN(C)c1cnc(C#N)cn1)C(=O)CCCC(N)=O 1105419302 QPNMTJWUIGWWLH-UHFFFAOYSA-N 304.354 -0.102 30 20 DBED Cc1nn[nH]c1C(=O)N(C)CCN(C)c1ccc(C#N)nn1 1105515116 UWFUXJLBMQFBDZ-UHFFFAOYSA-N 300.326 -0.017 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)CCn2cncn2)nc1 1105758930 YDFGXQUDOMKOGY-LBPRGKRZSA-N 315.337 -0.476 30 20 DBED CC(=O)N1CC(C(=O)NC[C@@H](O)CNc2ccc(C#N)nc2)C1 1105796658 RTZAZIHMAPYBIV-AWEZNQCLSA-N 317.349 -0.679 30 20 DBED CCOCCOCC(=O)NC[C@@H](O)CNc1ccc(C#N)nn1 1105871023 DKCOBSHUPMGOSL-LBPRGKRZSA-N 323.353 -0.710 30 20 DBED CC[C@@H](C(=O)NC[C@H](O)CNc1cncc(C#N)n1)N(C)C 1105925904 JCJLXBKPKKITJV-NEPJUHHUSA-N 306.370 -0.423 30 20 DBED Cc1cc(=NC[C@@H](O)CNC(=O)c2n[nH]cc2F)c(C#N)c[nH]1 1106082825 CKJZPKSMFPLQBP-SNVBAGLBSA-N 318.312 -0.251 30 20 DBED C#CCNC[C@@H]1CN(C(=O)[C@@H]2CCc3nnnn3CC2)C[C@H]1C 1106682412 IIEKTUCDMLODCF-MGPQQGTHSA-N 316.409 -0.057 30 20 DBED CC#CCCCC(=O)NCc1cn(C2CN(CCO)C2)nn1 1107197911 MIOKFJMKVTXZOH-UHFFFAOYSA-N 305.382 -0.063 30 20 DBED COCC[C@@H](C)C(=O)NCc1cn(C2CN(CC#N)C2)nn1 1107238151 JIOAVBMYPDGDES-LLVKDONJSA-N 306.370 -0.053 30 20 DBED C#CCNC(=O)CN1CCO[C@](C)(CNC(=O)[C@H](C)CC)C1 1107752034 NMLGIXSHXGWZCM-CZUORRHYSA-N 309.410 -0.011 30 20 DBED C#CCNC(=O)CN1CCO[C@](C)(CNC(=O)COCC=C)C1 1107811231 KECKBYRIIOKWAO-MRXNPFEDSA-N 323.393 -0.855 30 20 DBED CN1CC[C@@H](N2CCO[C@](C)(CNC(=O)C#CC3CC3)C2)C1=O 1107932431 KMSYZEDGPHXPON-RHSMWYFYSA-N 319.405 -0.162 30 20 DBED C=CCN1CCO[C@@](C)(CNC(=O)CC2CS(=O)(=O)C2)C1 1108038319 QSKADNNWWFAXFN-AWEZNQCLSA-N 316.423 -0.186 30 20 DBED C[C@@H](CN(C)c1nccnc1C#N)NC(=O)c1cnn(C)c1N 1108932809 FUCZQSFCUGRMNN-VIFPVBQESA-N 314.353 -0.081 30 20 DBED CN(CCCNc1ccc(C#N)cn1)C(=O)[C@@H]1CNC(=O)N1 1109598898 QHGBITDJDSHIQO-NSHDSACASA-N 302.338 -0.105 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCCN1C(=O)CNC1=O 1110082379 KFELABLXMYXULP-AGIUHOORSA-N 318.377 -0.327 30 20 DBED CNS(=O)(=O)CC(=O)NCC1(Nc2ncccc2C#N)CC1 1110148500 DYLFCKRRHFHPJM-UHFFFAOYSA-N 323.378 -0.437 30 20 DBED N#Cc1ccc(NC2(CNC(=O)CC(N)=O)CCOCC2)nc1 1110979563 QSRPGHZJPDIBAQ-UHFFFAOYSA-N 317.349 -0.094 30 20 DBED N#CCSCC(=O)NC[C@@]1(O)CCN(c2ncccn2)C1 1111024577 TXXNDNDNRSQYOA-ZDUSSCGKSA-N 307.379 -0.209 30 20 DBED N#Cc1nccc(N2CC[C@](O)(CNC(=O)[C@@H]3CCCO3)C2)n1 1111031005 BDERSLMFSVDHPI-NHYWBVRUSA-N 317.349 -0.415 30 20 DBED C#CCO[C@H](C)C(=O)N(C)[C@H]1CN(c2nccnc2F)C[C@@H]1O 1111190521 FZQIKVRVIDUZTB-WOPDTQHZSA-N 322.340 -0.338 30 20 DBED C[C@@H]1CN(C(=O)CNC(N)=O)C[C@@H]1CN=c1cc[nH]cc1C#N 1111241059 OANUJBMJSKFVDL-PWSUYJOCSA-N 316.365 -0.450 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCOC2)C1 1111634585 BYRQMVDURUZDHL-KEYYUXOJSA-N 319.405 -0.257 30 20 DBED COCCC(=O)N1CCO[C@@H](CN=c2cc[nH]c(C#N)n2)C1 1111929731 QNMYEGOVXGNUFX-NSHDSACASA-N 305.338 -0.554 30 20 DBED CN(CCCN(C)c1nccnc1C#N)C(=O)[C@@H]1CCNC1=O 1112151138 AIRHOPFLIJGQEE-LLVKDONJSA-N 316.365 -0.231 30 20 DBED CC(C)CNC(=O)NC(=O)CN1CCN(C(=O)[C@@H](C)C#N)CC1 1112711062 OTTODYQECVSAAG-LBPRGKRZSA-N 323.397 -0.228 30 20 DBED CCC(=O)NCC(=O)NC1CC(CN=c2cc[nH]c(C#N)n2)C1 1112827526 MSKTVVRUCXQSPX-UHFFFAOYSA-N 316.365 -0.397 30 20 DBED C[C@H](N=c1cc[nH]c(C#N)n1)[C@@H](C)NC(=O)CN1CCOCC1 1112970691 GYUQUKSCDWZBPF-NWDGAFQWSA-N 318.381 -0.593 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@H](C)N(C)c1nccn2nnnc12 1113582827 QDKDXAOUWKEMHK-IINYFYTJSA-N 319.369 -0.213 30 20 DBED C[C@H](CNC(=O)Cn1ncnn1)N(C)c1ncc(C#N)cc1F 1113723381 NMJCLBXQWWBJCU-SECBINFHSA-N 318.316 -0.280 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)CSCC#N)[C@H]2C1 1113890430 AHPAZAKTCOYBBG-YABSGUDNSA-N 308.407 -0.408 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@H]1[C@@H]2CN(Cc3cnn(C)n3)C[C@@H]21 1114194096 LGXNMBTXZZTLNQ-PAPYEOQZSA-N 305.382 -0.311 30 20 DBED C#CCCCC(=O)NC1[C@@H]2CN([C@H]3CCC(=O)NC3=O)C[C@@H]12 1114199558 WSMWJCPACKASIH-UTUOFQBUSA-N 303.362 -0.359 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3coc(OC)n3)[C@H]2C1 1114623624 BZGAYAGIJAWARM-IWIIMEHWSA-N 320.349 -0.355 30 20 DBED C=CCCCN1C[C@@H]2C(NC(=O)CN3CCNC(=O)C3)[C@H]2C1 1114662866 OFUBNOCJECYCIM-STQMWFEESA-N 306.410 -0.569 30 20 DBED CO[C@H](CC(C)C)C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1114803681 MPVWLWLFEWCTDY-COMQUAJESA-N 322.409 -0.266 30 20 DBED C#Cc1cncc(C(=O)NC2[C@@H]3CN(C[C@@H](O)COC)C[C@@H]23)c1 1114807744 DZTCSWKCAWWUMK-RBSFLKMASA-N 315.373 -0.270 30 20 DBED COCC#CCN1C[C@@H]2C(NC(=O)COC3CCOCC3)[C@H]2C1 1114913346 WIQDXBYWNMPDFK-GJZGRUSLSA-N 322.405 -0.122 30 20 DBED C#CCCN1C[C@H]2C(NC(=O)CCn3cnccc3=O)[C@@H]2C1 1115049495 KTRWQPAYIUBLOK-CHWSQXEVSA-N 300.362 -0.297 30 20 DBED C=CCOCCN1C[C@@H]2C(NC(=O)C(C)(C)NC(=O)NC)[C@H]2C1 1115293926 FHINNLOSQHXSLJ-RYUDHWBXSA-N 324.425 -0.057 30 20 DBED C=CCNC1(CNC(=O)Cn2cnc(C(N)=O)n2)CCCCC1 1115545179 VSRLSIYAKJMORS-UHFFFAOYSA-N 320.397 -0.028 30 20 DBED C[C@H](O)CN(C(=O)C(=O)N1CCC[C@@H](CC#N)C1)[C@@H](C)CO 1118512238 AENOFOCAMFNNPW-AVGNSLFASA-N 311.382 -0.271 30 20 DBED C=C(C)C[C@H](NC(=O)[C@H](C)N1CCNCC1=O)C(=O)OCC 1119309092 VATPKBYHTLNWJU-RYUDHWBXSA-N 311.382 -0.179 30 20 DBED N#Cc1nccnc1N[C@H](CO)CNC(=O)c1cccc(O)n1 1121426448 RIQFKUJTJFQPLT-VIFPVBQESA-N 314.305 -0.348 30 20 DBED CN(C)CCCCC(=O)NC[C@@H](CO)Nc1cncc(C#N)n1 1121846813 CAVSUDMHGJLGNH-ZDUSSCGKSA-N 320.397 -0.031 30 20 DBED N#Cc1nccnc1N[C@@H](CO)CNC(=O)CO[C@@H]1CCOC1 1122071994 UACZSYXFMQCDKQ-GHMZBOCLSA-N 321.337 -0.957 30 20 DBED C[C@H]1CCCN1CC(=O)NC[C@H](CO)N=c1cc[nH]cc1C#N 1122526492 LADDVPJAQSDULR-GXTWGEPZSA-N 317.393 -0.252 30 20 DBED C[C@]1(C(=O)NC[C@H](CO)Nc2ncccc2C#N)CCNC1=O 1122543679 OXCRFTSPRSCJNS-ABAIWWIYSA-N 317.349 -0.632 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)c1ccnn1C 1124150711 WWUHYFTVONJJFG-JTQLQIEISA-N 315.337 -0.951 30 20 DBED Cc1ncc(C(=O)N(C)C[C@@H](O)CNc2cncc(C#N)n2)[nH]1 1124206630 CBXBVPNZWHABEG-NSHDSACASA-N 315.337 -0.075 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)c1csnn1 1124627154 BNZQHERMUPSTRM-QMMMGPOBSA-N 319.350 -0.833 30 20 DBED C#CCNC(=O)CC(=O)NCCNC[C@@H](O)CC(F)(F)F 1125982353 YLXRJYFNQOBDDF-VIFPVBQESA-N 309.288 -0.855 30 20 DBED C[C@@H](NC(=O)C(N)=O)C1CCN(c2nccnc2C#N)CC1 1126676301 VKOGYDZBZGDZLJ-SECBINFHSA-N 302.338 -0.445 30 20 DBED CNC(=O)CC(=O)N(C)CCOCCN=c1cc[nH]cc1C#N 1127275441 QLGIREZCIIVXQU-UHFFFAOYSA-N 319.365 -0.602 30 20 DBED C#CCNCc1nnc2n1CC[C@H](NC(=O)[C@@H]1CCOC1)CC2 1127958852 MBXHIPMTHNRBSW-CHWSQXEVSA-N 317.393 -0.142 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@H](n2ccnn2)[C@H](NCC=C)C1 1129837355 CEYUAJXWHNAXQU-MJBXVCDLSA-N 303.366 -0.156 30 20 DBED COCC#CCNCCNC(=O)c1ccc2c(c1)NC(=O)CO2 1129911062 XVPLAOZBMQJHPC-UHFFFAOYSA-N 317.345 -0.013 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1ccc2nc[nH]c2n1 1130128987 NOVYEVVMPJFYEM-JTQLQIEISA-N 314.349 -0.585 30 20 DBED C#CCCN1CCOC[C@H]1c1n[nH]c(CNC(=O)[C@H](C)C#N)n1 1130834518 AUEMXKQNTCOEPT-NEPJUHHUSA-N 316.365 -0.023 30 20 DBED C=CCN1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)CC(N)=O)n1 1130877674 BVQBJRIKQKMZJE-NWDGAFQWSA-N 321.381 -0.028 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)[C@@H](C)OCCOC)C[C@@]3(C1)O2 1131274413 WDBCIMCXPLJROO-KCYZZUKISA-N 322.405 -0.027 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2cnon2)CC[C@@H]1C 1132369528 YLQQKDSHTGHLFA-QWRGUYRKSA-N 305.338 -0.598 30 20 DBED C#CCNC(=O)CN1C[C@H](NC(=O)c2nonc2C)CC[C@@H]1C 1132537711 QDTRPYNZAIOMLN-CMPLNLGQSA-N 319.365 -0.290 30 20 DBED C=CCNC(=O)NC(=O)CN1CCC2(C1)CN(C(=O)C1CC1)C2 1146860805 MCWHNNBCZOHHHZ-UHFFFAOYSA-N 320.393 -0.058 30 20 DBED C=C(Cl)CNCCNC(=O)Cn1nc2n(c1=O)CCCC2 1146889890 ORYCCFVTLXMSKC-UHFFFAOYSA-N 313.789 -0.161 30 20 DBED C=CCN(CC=C)C(=O)CN(CC)[C@H](C)CNC(=O)C(N)=O 1154969907 ZBOFRVJFWDPJSU-GFCCVEGCSA-N 310.398 -0.501 30 20 DBED C[C@H](C#N)C(=O)NCCCN[C@H]1CCN(c2cnn(C)c2)C1=O 1155848852 QIHIWRXSJNLUOQ-YPMHNXCESA-N 318.381 -0.219 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)c2nccnc2N)C1=O 1155946466 NWBDDVHZVAFAMV-LLVKDONJSA-N 318.381 -0.445 30 20 DBED C#CCNC(=O)CC(=O)NCCCN[C@H](C)C(=O)NCCC 1156857606 XGXAIVOGPPWJPB-GFCCVEGCSA-N 310.398 -0.864 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)[C@H](C)NC(=O)CC)C1=O 1158644888 FBHUVBRRSCZYGC-STQMWFEESA-N 324.425 -0.216 30 20 DBED N#CCNCCN(CCc1ccccc1)C(=O)Cn1ncnn1 1162810633 ODUBJCNAVKSTLF-UHFFFAOYSA-N 313.365 -0.142 30 20 DBED C=CCN(CC=C)C(=O)CNCCCNC(=O)CCCC(N)=O 1177401648 XFSHSNBCFIECAG-UHFFFAOYSA-N 324.425 -0.062 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@H](NCC(=O)N2CCC2)[C@@H]1C 1178679066 XUYDOKLIRXEOHQ-MJBXVCDLSA-N 307.394 -0.164 30 20 DBED C[C@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)CCCCN(C)C 1179968385 SOPHXRNABGNEAI-KBPBESRZSA-N 323.441 -0.063 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)CCn2ccnc2)C1 1184709881 HEWLAGADFIEKCP-CYBMUJFWSA-N 305.382 -0.234 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H](C)c2cncnc2)C1 1185129652 WFIKYWWJDMHHTM-TZMCWYRMSA-N 315.377 -0.480 30 20 DBED CC#CCN[C@@H]1CCN(C(=O)Cn2ncn3nccc3c2=O)C1 1186032188 QZQHSYPORQVZRQ-GFCCVEGCSA-N 314.349 -0.895 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2cn(CC)nn2)C1 1186672320 XKRRMRXRPYYOSK-NWDGAFQWSA-N 318.381 -0.760 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2n[nH]c(C)c2O)C1 1189663961 JIKGQWMBAAHRAS-LLVKDONJSA-N 321.381 -0.128 30 20 DBED CN(CC(=O)NCC#N)[C@@H]1CCN(C(=O)Cc2ccnn2C)C1 1189867758 ZEIJVQDMCBPLBA-CYBMUJFWSA-N 318.381 -0.865 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@H](N(C)Cc2nnnn2C)C1 1190094928 OOIMYHGHXIKRBQ-RYUDHWBXSA-N 306.370 -0.719 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H](C)C2CCC2)C1 1194024231 ZATJZTLYSNQNHE-MRVWCRGKSA-N 309.410 -0.114 30 20 DBED C#CCCCCCC(=O)N[C@@H]1CN(CC(=O)NCC#C)C[C@H]1O 1195306780 HGLOLJHJCGQAGA-HUUCEWRRSA-N 319.405 -0.519 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@]2(C)C=CCC2)C1 1195317997 GOKPMAGWXOWBCA-IOASZLSFSA-N 305.378 -0.747 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCCN([C@@H](C)C(=O)NC(N)=O)CC1 1195805955 IOAPRORRWWYELX-RYUDHWBXSA-N 324.381 -0.858 30 20 DBED CN(C)[C@@H](C(=O)N1CCCN(CC(=O)NCC#N)CC1)C1CC1 1196162950 DHMGGQLCQNWYJP-OAHLLOKOSA-N 321.425 -0.499 30 20 DBED Cc1c(C(=O)N2CCC(NCC(=O)NCC#N)CC2)cnn1C 1199312445 ROCVWIDULXOLIN-UHFFFAOYSA-N 318.381 -0.438 30 20 DBED N#CCNC[C@H]1CN(C(=O)CNC(=O)c2ccoc2)CCCO1 1200583725 UWNDGOGANOVDAO-ZDUSSCGKSA-N 320.349 -0.260 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)c2ccc(=O)n(C)n2)CCCO1 1202006660 SYQSQJSWLNMYNJ-CYBMUJFWSA-N 318.377 -0.376 30 20 DBED C=CCCNC[C@H]1CN(C(=O)C[C@H]2CC(=O)NC2=O)CCCO1 1202252497 YYCHJWYZEVBTFL-OLZOCXBDSA-N 323.393 -0.178 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)[C@@H](COC)OC)CC1 1202415564 SIYQXRMPJCCCIN-CYBMUJFWSA-N 313.398 -0.469 30 20 DBED N#CCNC(=O)CN[C@@H]1C[C@H](NC(=O)c2cn[nH]c2)C12CCC2 1202492310 YTNRDBZSVHWCCS-NEPJUHHUSA-N 316.365 -0.320 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)c2ccc(O)nc2)CC1 1203567372 DWZNMJNAGOWCFR-UHFFFAOYSA-N 316.361 -0.269 30 20 DBED CNC(=O)CN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)CSCC#N)C2 1204013954 LVAMPZIVEMZBFO-IJLUTSLNSA-N 310.423 -0.042 30 20 DBED N#CCN[C@H]1C[C@H]2CC[C@H]1N(C(=O)CCCS(N)(=O)=O)C2 1204677200 XKFOPUGDMQKVAK-GRYCIOLGSA-N 314.411 -0.452 30 20 DBED COCC#CCNCC1CCN(C(=O)[C@@H]2CN(C)C(=O)N2)CC1 1205866561 MMKNHNZEIBUIAW-AWEZNQCLSA-N 322.409 -0.512 30 20 DBED C#CCCNCC1CCN(C(=O)C[C@@H]2CC(=O)NC2=O)CC1 1206979520 ARXPXCYFTFZHJZ-ZDUSSCGKSA-N 305.378 -0.109 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)c2cnccn2)C1 1207109136 RUINYNYPCNOOQN-GFCCVEGCSA-N 301.350 -0.580 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)CCC(=O)NCC)C1 1207656657 KXDFLMSQQNYOPH-CYBMUJFWSA-N 322.409 -0.767 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)c2cncnc2O)C1 1208394510 YGEUKYKZDDCOHM-LLVKDONJSA-N 319.365 -0.321 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)c2cnn(C)n2)C1 1210109264 ZLBRMBFGHKBYBI-NSHDSACASA-N 306.370 -0.689 30 20 DBED Cc1nc[nH]c1C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1211482496 XJJQSNJKBGNZIQ-MWLCHTKSSA-N 304.354 -0.592 30 20 DBED C#CCCN1C[C@@H](NC(=O)COc2cnn(C)c2)[C@H](OC)C1 1213338217 YEYPKNFPISUHRP-ZIAGYGMSSA-N 306.366 -0.362 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2cnc(C)[nH]2)C[C@H]1C 1214326756 DYGWFCCZESKWHY-UHIISALHSA-N 317.393 -0.094 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)CN2CCCC2)C[C@H]1C 1216756128 TVWINWYIOSWGCB-ZIAGYGMSSA-N 306.410 -0.732 30 20 DBED C=C(Br)CN1C[C@H](O)[C@H](NC(=O)CNC(C)=O)C1 1219104941 KJZZTUVYXZMPSN-ZJUUUORDSA-N 320.187 -0.808 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2CC=CCC2)C1 1219173661 QNAXRANZHRBEPC-MCIONIFRSA-N 305.378 -0.747 30 20 DBED Cc1nc(C)n(CCN2C[C@H](O)[C@H](NC(=O)[C@H](C)C#N)C2)n1 1219379395 SHZLSEZYDOZTNA-WQAKAFBOSA-N 306.370 -0.784 30 20 DBED C[C@H](C(=O)N(C)C)N1C[C@H](O)[C@H](NC(=O)C#CC(C)(C)C)C1 1219598274 QMICJEWVYKTJCI-UPJWGTAASA-N 309.410 -0.326 30 20 DBED C#CCCCCCC(=O)N[C@@H]1CN([C@H]2CCNC2=O)C[C@@H]1O 1220147048 YUTJZBHAMQVLDB-RDBSUJKOSA-N 307.394 -0.380 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)CCc2nccs2)C1 1221009892 PEUAKCBMNOHVKW-OLZOCXBDSA-N 323.418 -0.113 30 20 DBED N#CCNC(=O)CN1CCC(CNC(=O)c2cocn2)CC1 1222619140 MUINRPCHINYWFJ-UHFFFAOYSA-N 305.338 -0.244 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)c2cnsn2)CC1 1226220622 VUZFPOVZTDPSLD-UHFFFAOYSA-N 307.379 -0.518 30 20 DBED CN(C)[C@@H](C(=O)NC1CCN(CC(=O)NCC#N)CC1)C1CC1 1227818627 XZRYXPCISYTSRN-OAHLLOKOSA-N 321.425 -0.453 30 20 DBED COCC#CCN1CCC(NC(=O)[C@H]2C[C@H]2C(=O)N(C)C)CC1 1229193876 REHKGAFBQRACSG-LSDHHAIUSA-N 321.421 -0.059 30 20 DBED CCCCOCC(=O)N(C)C[C@@H]1CCN1CC(=O)NCC#N 1231367926 HDYIOUQFXNYGHJ-ZDUSSCGKSA-N 310.398 -0.024 30 20 DBED C=C(C)Cn1nnnc1N(CCOC)[C@H]1CCS(=O)(=O)C1 1262211351 BPSYDCXUELTMMQ-NSHDSACASA-N 315.399 -0.111 30 20 DBED C#CCCCNC(=O)C(=O)N1CCC[C@H](S(C)(=O)=O)CC1 1323216350 AXJQRZCJTPUILA-LBPRGKRZSA-N 314.407 -0.058 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCCOCC(=C)C)C1=O 1323604155 SIKNOEMZYWXFEL-ZDUSSCGKSA-N 323.393 -0.059 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCC[C@@H]1CC(=O)OCC 1323698666 KVLCESPDIMYROI-GFCCVEGCSA-N 310.350 -0.303 30 20 DBED CN1C(=O)CN(NS(=O)(=O)c2ccc(CC#N)cc2)C1=O 1323985971 NMUNQBUBGGHGBZ-UHFFFAOYSA-N 308.319 -0.160 30 20 DBED C=CCCn1cc(C(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)nn1 1326162031 ZQHNORRGTFFJHE-SNVBAGLBSA-N 304.310 -0.770 30 20 DBED C[C@@H](CN1CCOCC1)N(C)C(=O)C(=O)N[C@@H]1CC[C@H](C#N)C1 1326719423 VVXLUPWBJBAWMD-MELADBBJSA-N 322.409 -0.026 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N[C@H](COC)[C@@H]1CCCO1 1327299532 LCMGUQMKAAQIDF-KGLIPLIRSA-N 306.362 -0.218 30 20 DBED C=CC[C@H](NS(=O)(=O)[C@@H](C)C(=O)N(C)C)C(=O)OCC 1339289005 UDPPDNRLWPABCZ-UWVGGRQHSA-N 306.384 -0.110 30 20 DBED C=CCn1c(N2CCN(C)C(=O)C2)nnc1C1(O)CCOCC1 1351968533 PFXMGGMTNCXKPJ-UHFFFAOYSA-N 321.381 -0.260 30 20 DBED C#CCSCCn1nnnc1N1CC[C@H](S(C)(=O)=O)C1 1352339230 GWLBQBMOFDOZIR-JTQLQIEISA-N 315.424 -0.337 30 20 DBED N#CC1(CNC(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)CCOCC1 1364240930 SQHKCQMRBBNRSY-QWRGUYRKSA-N 310.354 -0.361 30 20 DBED N#Cc1cnn2c(O)cc(CN3C[C@@H](CO)[C@@H](CO)C3)nc12 1364783778 LEPABDCOGIEKGS-PHIMTYICSA-N 303.322 -0.661 30 20 DBED C=C(Cl)CN1CC(CNC(=O)[C@@H](C)NS(C)(=O)=O)C1 1373534497 DMCUGVVCRZGARF-SECBINFHSA-N 309.819 -0.275 30 20 DBED N#Cc1cc(C(=O)NC[C@@H](O)CNC(=O)c2ccc[nH]2)c[nH]1 1376500744 SELRDCIQCBASNX-LLVKDONJSA-N 301.306 -0.265 30 20 DBED C[C@@H](CNC(=O)[C@H](C)C#N)NC(=O)CCCS(C)(=O)=O 1386454779 CPIUABRBJMAWJM-ZJUUUORDSA-N 303.384 -0.408 30 20 DBED CN(CCN(C)C(=O)[C@@H]1COC(=O)N1)C(=O)c1cc(C#N)c[nH]1 1391804260 XVFRVHJVRAJPCZ-NSHDSACASA-N 319.321 -0.475 30 20 DBED CC(=O)NCC(=O)N1CCC[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 1398504091 LEINLMNNIPOAQH-LBPRGKRZSA-N 317.349 -0.257 30 20 DBED C=C(Cl)CNC[C@@H](C)N(C)C(=O)c1cn(CC(N)=O)nn1 1405912191 KZHLFNSCMBUSQV-SECBINFHSA-N 314.777 -0.434 30 20 DBED COCCN(CCNC(=O)[C@H]1CCC(=O)N1C)C(=O)[C@@H](C)C#N 1413527889 KNWAVEFDOIFDQL-NWDGAFQWSA-N 324.381 -0.642 30 20 DBED CC(=O)N1CC[C@](C)(C(=O)NCCN(C)C(=O)[C@H](C)C#N)C1 1415619707 QQAXJSXVGLBVSS-ABAIWWIYSA-N 308.382 -0.021 30 20 DBED Cc1cc(COCC(=O)N2CC(NC(=O)[C@@H](C)C#N)C2)no1 1416048386 XFRWTLKRBBEACD-VIFPVBQESA-N 306.322 -0.014 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CN(C)C(=O)c1cccc(=O)n1C 1425860251 PZVJATDPVASLMD-GHMZBOCLSA-N 320.349 -0.906 30 20 DBED Cc1cc(C(=O)NCCN(C)C(=O)[C@H](C)C#N)ncc1C(N)=O 1429511836 UCZJPZPXSXMCCJ-SNVBAGLBSA-N 317.349 -0.163 30 20 DBED CCN(CCNC(=O)C[C@@H]1CCN(C)C1=O)C(=O)[C@H](C)C#N 1429611617 NJCDVMUEMYCOMA-NEPJUHHUSA-N 308.382 -0.021 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNCc1nnsc1Cl 1445166721 ZBPBSIADDLZGKK-BQBZGAKWSA-N 303.775 -0.082 30 20 DBED C[C@@H](O)[C@H]1CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)C1 1446736669 SCSNJNFWOCCNRY-ZJUUUORDSA-N 306.322 -0.560 30 20 DBED CCn1cc(C(=O)NC[C@@]2(O)CCN(C(=O)[C@@H](C)C#N)C2)cn1 1454083048 PIKGSFMREVRTEC-NHYWBVRUSA-N 319.365 -0.244 30 20 DBED CN(CCNC(=O)[C@@H]1CCNC(=O)C1)C(=O)c1cc(C#N)c[nH]1 1455200644 INFXVTSXRZJYIC-LLVKDONJSA-N 317.349 -0.399 30 20 DBED C[C@@H](C#N)C(=O)NCC1CN(C(=O)c2ccn3nnnc3c2)C1 1456589003 QLNAIHWDAFGWKX-VIFPVBQESA-N 313.321 -0.528 30 20 DBED Cn1c(=O)[nH]c(NCCS(=O)(=O)CC2CC2)c(C#N)c1=O 1458246409 SVXOXWKSYIJUQJ-UHFFFAOYSA-N 312.351 -0.818 30 20 DBED CCN(CCC#N)S(=O)(=O)NC1(C(=O)OC)CCOCC1 1463705523 ZTNVKBYSXABOPF-UHFFFAOYSA-N 319.383 -0.221 30 20 DBED CC(=O)N1CCC(CNc2[nH]c(=O)n(C)c(=O)c2C#N)CC1 1472688722 HVHBGURQJDJHRT-UHFFFAOYSA-N 305.338 -0.384 30 20 DBED C[C@@](O)(CC(=O)N1CC[C@H](NCC(=O)NCC#N)C1)C1CC1 1491721086 HUGGDUSFOXQXRJ-SWLSCSKDSA-N 308.382 -0.632 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CN(C)C(=O)C12CCCN1CCC2 1511579969 QQBNFCVPBJOJHC-OLZOCXBDSA-N 322.409 -0.290 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C)C(=O)[C@H](C)CS(C)(=O)=O 1528596988 PLYUZIZYDROCQG-VHSXEESVSA-N 303.384 -0.599 30 20 DBED C=C[C@](C)(O)CC(=O)NC1CC(CNC(=O)CNC(=O)O)C1 1573347917 QDUPMRLZMRQSSJ-FDZGAKKTSA-N 313.354 -0.408 30 20 DBED C#CCOCCNC(=O)N1C[C@H]2C[C@H](N)C[C@@]2(C(=O)OC)C1 1574735630 LFXQZJQPETWZBZ-TYNCELHUSA-N 309.366 -0.442 30 20 DBED C[C@@H](CN1CCOCC1)Cn1c(N)nc(-c2nn[nH]n2)c1C#N 1574832300 RTRLSRRWCIDQEV-VIFPVBQESA-N 317.357 -0.515 30 20 DBED CC#CC[C@H](N)C(=O)N[C@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 1574971353 CMXZPKIOKPDISY-SGMGOOAPSA-N 314.407 -0.420 30 20 DBED CN(C(=O)[C@H]1NCCc2cc(C#N)ccc21)[C@@H]1COC[C@H]1O 1578373329 YTWIOXIOEGHGKE-KFWWJZLASA-N 301.346 -0.037 30 20 DBED N#C[C@]12CN(C(=O)[C@H]3CCCCCN3)C[C@H]1CS(=O)(=O)C2 1580057550 ZLSVANRVLIGZLC-OUCADQQQSA-N 311.407 -0.085 30 20 DBED N#Cc1ccnc(CN2CC(S(=O)(=O)N3CCNCC3)C2)c1 1580079676 BSVVQIBTWIRWNW-UHFFFAOYSA-N 321.406 -0.628 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N1C[C@H](C)O[C@H](C(=O)O)C1 1588464671 CLMUDXUFOPFCPT-RYUDHWBXSA-N 306.318 -0.828 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCCCN(CC(=O)O)C2=O)nn1 1588474736 OBYMUNTYEUTVIR-SNVBAGLBSA-N 321.337 -0.340 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N1CC[C@@](OC)(C(=O)O)C1 1588692904 MNXLDTYVBCMBKG-ZANVPECISA-N 300.311 -0.994 30 20 DBED COC(=O)CN(CC#N)C(=O)c1ccc(-c2nn[nH]n2)n1C 1591267073 KBPUSBVSHFONDI-UHFFFAOYSA-N 303.282 -0.656 30 20 DBED N#CCNC[C@H](NC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C1CC1 1592678560 AMGTZKKIKFDOKP-NSHDSACASA-N 300.326 -0.184 30 20 DBED N#Cc1ccc([C@H](C(N)=O)N2CCC(O)(C(=O)O)CC2)cc1 1601095239 LDIAFRUKQSPMRF-GFCCVEGCSA-N 303.318 -0.004 30 20 DBED C[C@@](C#N)(CC(=O)O)C(=O)NC1CCN([C@H]2CCOC2=O)CC1 1602780599 JLHLTTAZYLOXSM-NHYWBVRUSA-N 323.349 -0.113 30 20 DBED C#CCOc1ccccc1NC(=O)C(=O)NC[C@@](C)(O)C(=O)O 1609623859 KPZDGPJKYYLYAC-OAHLLOKOSA-N 320.301 -0.411 30 20 DBED CC[C@H](C(=O)N[C@H]1CCCN(CC(=O)NCC#N)CC1)N(C)C 1724840403 ADFXCLLXAPBYEX-UONOGXRCSA-N 323.441 -0.063 30 20 DBED COC[C@@H](O)CNC[C@H](O)CNC(=O)CC#Cc1ccccc1 1732666877 ZUROGVVPLVLDDA-HOTGVXAUSA-N 320.389 -0.498 30 20 DBED C#CCNC(=O)CN[C@@H](CNC(=O)CC1OCCCO1)C1CC1 1752458083 LLSLDJMSEQHXMK-ZDUSSCGKSA-N 323.393 -0.627 30 20 DBED C=CCNC(=O)CN[C@H]1C[C@H](NC(=O)c2n[nH]c(C)c2O)C1 1752626064 KSEGYEVDNYEYFO-MGCOHNPYSA-N 307.354 -0.424 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1C[C@@H](NC(=O)c2cn(C)c(O)n2)C1 1752757507 DPLHADMZSWFDBD-GARJFASQSA-N 319.365 -0.886 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC[C@H](CNC(=O)c2cnn[nH]2)C1 1752782496 MRAHZFOEKAJCCE-NWDGAFQWSA-N 318.381 -0.616 30 20 DBED C#CCNC(=O)CNC[C@H]1CCCN(C(=O)c2ncc[nH]2)C1 1752797732 LXAXYPBLZKHKBR-GFCCVEGCSA-N 303.366 -0.399 30 20 DBED C#CCNC(=O)CN1CC[C@@H](CCNC(=O)C2CC(OC)C2)C1 1753330447 JHRBBRNIGLQMAW-WLYUNCDWSA-N 321.421 -0.011 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccon1 1753419629 QBSSLRGXVRZLRI-XBFCOCLRSA-N 316.361 -0.360 30 20 DBED N#CCNCC[C@H]1CCCCN1C(=O)C[C@@H]1CC(=O)NC1=O 1753790823 SXPZNUVHBXFYHT-NWDGAFQWSA-N 306.366 -0.076 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC[C@@](C)(CNCc2nnn(C)n2)C1 1754692142 HVJLAWMILGPAOV-LSDHHAIUSA-N 322.413 -0.135 30 20 DBED C#CCCN1CCOC[C@@H]1CNC(=O)Cn1ccc(C)cc1=O 1754972881 QYIYSEZOKUKBHF-HNNXBMFYSA-N 317.389 -0.003 30 20 DBED COCC#CCN[C@@]1(CO)CCCN(C(=O)c2cnn(C)c2)C1 1755080511 HAEJFHLASBOMTC-INIZCTEOSA-N 320.393 -0.373 30 20 DBED C=C(C)CN1CCC(CO)(NC(=O)C(=O)NCC(F)F)CC1 1755178993 ZCGGPOMCTYYWPH-UHFFFAOYSA-N 319.352 -0.113 30 20 DBED C[C@H](CNC(=O)c1ccc(S(N)(=O)=O)o1)N(C)CC#N 1755307081 YODPHNKUAZUFKF-MRVPVSSYSA-N 300.340 -0.499 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@H]1C[C@H](NC(=O)[C@@H]2CCCO2)C1 1755467863 DGAZBYRHRZUVHD-XUXIUFHCSA-N 307.394 -0.212 30 20 DBED CN1C[C@H](c2ccccc2)[C@@H](C(=O)NC[C@@H](CO)NCC#N)C1 1755638874 FNIMPRVMZLLTMM-XHSDSOJGSA-N 316.405 -0.078 30 20 DBED COCC#CCN1CCC([C@H](C)NC(=O)[C@H]2CNC(=O)N2)CC1 1755847729 HPTIRPAAQUKKAA-GXTWGEPZSA-N 322.409 -0.466 30 20 DBED C#CCNC(=O)CNC1CC(N(C)C(=O)Cc2cnc(C)o2)C1 1755857305 HHZKATAPMNKIEF-UHFFFAOYSA-N 318.377 -0.146 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CC(NC(=O)CC(N)=O)C1 1755931522 BFYSIBSZPHPZLV-UFDFEIGVSA-N 323.393 -0.146 30 20 DBED CC(C)C#CC(=O)N[C@@H](C)[C@@H](C)NC(=O)CN1C(=O)CNC1=O 1755967420 QLKAQGCCSQQDNJ-WDEREUQCSA-N 322.365 -0.793 30 20 DBED C#CCNC(=O)CC(=O)N(C)[C@@H](C)CNC(=O)c1ccsn1 1756039058 CTVJJRZLUXMBCL-JTQLQIEISA-N 322.390 -0.141 30 20 DBED Cc1nnccc1C(=O)NC[C@H](CO)NC(=O)C#CC(C)C 1756534970 GFTFVJDOTRUUOR-GFCCVEGCSA-N 304.350 -0.349 30 20 DBED C=CCC1(C(=O)NC[C@@H](CO)NC(=O)CNC(C)=O)CCC1 1756548695 SVZPLLVGLIEVFN-LBPRGKRZSA-N 311.382 -0.538 30 20 DBED C=C1CC(C)(C(=O)NC[C@H](CO)NC(=O)c2cc[n+]([O-])cc2)C1 1756549012 SARFPZPSPAUZTJ-CYBMUJFWSA-N 319.361 -0.117 30 20 DBED CC(C)C#CC(=O)N(C)C[C@H](O)CNC(=O)[C@@]1(C)CNC(=O)C1 1756661988 HIVABMQHLIXDHT-MLGOLLRUSA-N 323.393 -0.893 30 20 DBED NC(=O)CNC(=S)NN=C1CCc2cccc(C(=O)O)c21 1776042367 IWIGCFQIXPDVQV-UHFFFAOYSA-N 306.347 -0.016 30 20 DBED C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2CN(C)C2)C1 1782748192 RUZWLKKYESKKFI-RHSMWYFYSA-N 319.405 -0.305 30 20 DBED C=CCC(=O)N1CC[C@]2(C1)CN(C(=O)COCCO)CCO2 1783917037 CDFMXKDDJJAVPQ-HNNXBMFYSA-N 312.366 -0.599 30 20 DBED C/C=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)CC#N)CCO2 1834767627 VRRBKGBYDIPERM-FAAWYNLUSA-N 307.350 -0.067 30 20 DBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cocn3)C2)C1 1839806844 LLCICHXTWQKQPC-OAHLLOKOSA-N 319.317 -0.622 30 20 DBED C[C@@H](NC=O)C(=O)N1CC2(CCCN2C(=O)C#CC2CC2)C1 1841542273 BBLKACOHUSITKN-GFCCVEGCSA-N 303.362 -0.262 30 20 DBED Cn1ncnc1C(=O)N1CC2(CCCN2C(=O)CCC#N)C1 1842812493 IWUBIPKATXTHSZ-UHFFFAOYSA-N 302.338 -0.064 30 20 DBED C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCO[C@H](C(N)=O)C1 51106462 VNJDWKNSTNYMBB-NEPJUHHUSA-N 308.382 -0.096 30 20 DBED C#CCOCCC(=O)N1CCN(CCS(C)(=O)=O)CC1 130100357 GAHLLPSQKXLBHB-UHFFFAOYSA-N 302.396 -0.785 30 20 DBED CCN(CC)[C@@H]1CCN(/C(=N\C)NC[C@H]2CN3CCN2CC3)C1 261671395 GZZVTYYEOCOQGZ-CVEARBPZSA-N 322.501 -0.022 30 20 DBED N#CCNC(=O)C/N=C(/N)N1CCN(c2ccc(F)cc2)CC1 262679047 VFYXCMYAXMYCRW-UHFFFAOYSA-N 318.356 -0.098 30 20 DBED C#CCOc1cccc(NC(=O)C(=O)NCCS(C)(=O)=O)c1 265493894 BZLANLNMEMCUEL-UHFFFAOYSA-N 324.358 -0.202 30 20 DBED CC(C)NS(=O)(=O)CCNS(=O)(=O)c1ccc(C#N)o1 286785950 GNZLVCQNCPITOK-UHFFFAOYSA-N 321.380 -0.243 30 20 DBED C=C[C@@H](CO)NC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C 291232845 KTJIAZBGVZWHLQ-STQMWFEESA-N 312.414 -0.225 30 20 DBED C#CCN(C)CCCNC(=O)Cn1cc([N+](=O)[O-])ccc1=O 293875077 CEDIZQOORNEXPO-UHFFFAOYSA-N 306.322 -0.172 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(Cc2nnc(C)n2C)c1=O 299587840 JTOAGHOOAKIIFL-UHFFFAOYSA-N 318.337 -0.971 30 20 DBED O=S(=O)(CC/N=C(/O)N1CCOCC1)N1CCSCC1 328646286 GTVYXYXTXVSZJX-UHFFFAOYSA-N 323.440 -0.389 30 20 DBED COCCOC1CN(/C(O)=N/[C@@H]2CS(=O)(=O)C[C@@H]2C)C1 329738723 MXDYMLJKUTVALQ-GXSJLCMTSA-N 306.384 -0.319 30 20 DBED C=CCCCC(=O)N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 330981652 OCGXRSIRHXTLSO-CHWSQXEVSA-N 316.423 -0.355 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)NCc1ccnc(N(C)C)n1 336903033 RTJNXEGLAVTSSB-JTQLQIEISA-N 312.399 -0.032 30 20 DBED CO[C@@H]1CCC[C@@H]1CNS(=O)(=O)N1CCO[C@@H](C#N)C1 336948120 QDZUDAGMTAEGFE-GRYCIOLGSA-N 303.384 -0.140 30 20 DBED COc1ccc(CNS(=O)(=O)N2CCO[C@H](C#N)C2)nc1 337152034 KKRSJKOEBMNUSD-GFCCVEGCSA-N 312.351 -0.351 30 20 DBED C[C@H](NC(=O)CCc1ccccc1)C(=O)NCC(=O)NCC#N 344188198 XNLZWLZAWWKIPD-LBPRGKRZSA-N 316.361 -0.120 30 20 DBED CCS(=O)(=O)N(C)CCCNS(=O)(=O)CCCC#N 348153574 IUQLANRXUGRIOH-UHFFFAOYSA-N 311.429 -0.119 30 20 DBED COc1ccccc1NC(=O)C(=O)NCCn1cnc(C#N)n1 357138733 OOJFUYXQTMZWLX-UHFFFAOYSA-N 314.305 -0.087 30 20 DBED COc1ccc(C(=O)Nc2nn(C)cc2C#N)cc1-n1cnnn1 359080102 YWAXOSLTHFXTDS-UHFFFAOYSA-N 324.304 0.528 30 20 DBED N#Cc1ccncc1C(=O)NCCN1CCS(=O)(=O)CC1 362621771 IBARGCDISRQNTJ-UHFFFAOYSA-N 308.363 -0.587 30 20 DBED COC(=O)CCN1CC[C@@H](NC(=O)c2ccc(C#N)n2C)C1=O 450326441 HQPPMVJAIYFWOJ-LLVKDONJSA-N 318.333 -0.209 30 20 DBED COC(=O)N1C[C@H]2C=C[C@H]1[C@@H](C(=O)NCC(=O)NCC#N)C2 496065520 XORHYOFOMPKTBT-DCAQKATOSA-N 306.322 -0.615 30 20 DBED COc1ncnc(N(C)C)c1NC(=O)C(=O)NC[C@H](C)C#N 539268832 VGFWHBSMEIRTNC-MRVPVSSYSA-N 306.326 -0.234 30 20 DBED N#Cc1ncn(CCNC(=O)[C@H]2COCCN2CC(F)F)n1 553497977 MJOZXVSAARXVHV-SECBINFHSA-N 314.296 -0.768 30 20 DBED Cc1nc(NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)n[nH]1 589429358 WJMVAAWFBPXQKA-UHFFFAOYSA-N 320.334 -0.098 30 20 DBED N#CCCCCNC(=O)C(=O)N1CCN([C@H]2CCOC2)CC1 597257480 SXABBCHBOPRUHD-ZDUSSCGKSA-N 308.382 -0.270 30 20 DBED N#CCCN1CCN(C(=O)C(=O)NC[C@H]2CCCCO2)CC1 602237923 FJIPHTGMICQOOF-CYBMUJFWSA-N 308.382 -0.270 30 20 DBED C=C[C@H](O)C(=O)N1CCN(CC(=O)NCc2ccccc2)CC1 646617767 GHIKWXURZIYFGN-HNNXBMFYSA-N 317.389 -0.006 30 20 DBED C#CCCN(CCOC)S(=O)(=O)N(C)CCC(=O)OC 697538264 HYBHUDDNKXTWPI-UHFFFAOYSA-N 306.384 -0.302 30 20 DBED C#C[C@@H](NS(=O)(=O)N(CCOC)CCOC)[C@@H]1CCCO1 773058341 UAHKCJSOTMMZPR-OLZOCXBDSA-N 320.411 -0.404 30 20 DBED C=CCNC(=O)CNC(=O)NCCS(=O)(=O)CC1CC1 776925029 VVXCNLLYCLBJCA-UHFFFAOYSA-N 303.384 -0.587 30 20 DBED CC(C)(C(N)=O)C(=O)OCc1cc(O)n2ncc(C#N)c2n1 785020470 WCLUXRLGQYFHIZ-UHFFFAOYSA-N 303.278 -0.139 30 20 DBED C[C@@H]1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)[C@H]([C@@H](C)O)C1 800123839 PZIYNQDIYGQHBW-LPWJVIDDSA-N 317.411 -0.063 30 20 DBED N#Cc1ncn(CCNC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)n1 805075448 XSVGOTRLWSKXNZ-NWDGAFQWSA-N 319.369 -0.688 30 20 DBED C#CCC[C@H](O)CNC(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O 816567124 QXRRXTOLWUMMHA-RWMBFGLXSA-N 304.346 -0.172 30 20 DBED C#C[C@@H](CCC)NC(=O)N1CCN(C(=O)Cn2cnnn2)CC1 820636259 RUSWBUZDZGZZGK-LBPRGKRZSA-N 319.369 -0.671 30 20 DBED C#CCN(C)CCCNC(=O)N1C[C@@H](C(=O)OC)C[C@@H](O)C1 827114557 MGOXMZKFYQYNRB-QWHCGFSZSA-N 311.382 -0.493 30 20 DBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@H]1CCCN1C=O 831346528 KPUXIOHZQMGFMS-GFCCVEGCSA-N 304.354 -0.125 30 20 DBED C#CC[C@@H](NC(=O)CN1C(=O)c2ccccc2C1=O)C(=O)OC 837932271 XBRUVEMYEFAMOF-GFCCVEGCSA-N 314.297 -0.036 30 20 DBED C#CC[C@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)C(=O)OC 837949847 ZEFHXEGJTZHJPD-ZDUSSCGKSA-N 313.313 -0.031 30 20 DBED C=CCn1cc(C(=O)N2CCN(CC[S@](C)=O)CC2)nn1 843805297 OQUKHJGXCWRXSN-NRFANRHFSA-N 311.411 -0.400 30 20 DBED CC(C)NC(=O)[C@@H](C#N)C(=O)Cn1nc2n(c1=O)CCCC2 845443268 OUHXFHUSVHTHNM-JTQLQIEISA-N 305.338 -0.385 30 20 DBED C#CCN1CCN(C(=O)CN2CCCC[C@H]2CNC(C)=O)CC1 860174963 CECISIMBMVEQJB-INIZCTEOSA-N 320.437 -0.246 30 20 DBED C#CCCCNC(=O)C(=O)N1C[C@@H](C(=O)OCC)C2(COC2)C1 875240261 RZNLLFGTBFONTE-LBPRGKRZSA-N 322.361 -0.446 30 20 DBED Cc1cnn(C)c1/C=C/C(=O)c1c(O)n(C)c(=O)n(C)c1=O 876498429 YXLNMQYDJJEUDX-AATRIKPKSA-N 304.306 -0.272 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)NOCCC)CC1 895512984 FOEYBOCXYXAHIH-UHFFFAOYSA-N 304.372 -0.877 30 20 DBED C#CCNCC(=O)NS(=O)(=O)c1cccc(C(=O)N(C)C)c1 901030864 CISMRZWWZURXKL-UHFFFAOYSA-N 323.374 -0.584 30 20 DBED CN(C)CC#CCNC(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 913515158 LFEOGBALYNOVOS-DDHJSBNISA-N 315.373 -0.525 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CN2CCC(=O)NC2=O)[C@@H](C)C1 944032407 GWFZNAKZDIIXLO-QWHCGFSZSA-N 320.393 -0.222 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H]1CNC(=O)c1nccnc1N 944250067 VCSZUYBYKGQVHA-NXEZZACHSA-N 302.338 -0.061 30 20 DBED C[C@H]1CN(CC#N)CC[C@@H]1NC(=O)CN1C(=O)NC(C)(C)C1=O 944650428 AJKNCVLCUACJIE-QWRGUYRKSA-N 321.381 -0.333 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2[C@H]3C[C@H]2N(C(=O)c2cnn[nH]2)C3)cn1 947673558 SPXQQFHZWQXDLT-GDLCADMTSA-N 322.328 -0.176 30 20 DBED C#CCN1CCC[C@H](N(C)C(=O)C2CC(=O)NC(=O)C2)CC1 948851995 GWQAYWTVDGIXON-ZDUSSCGKSA-N 305.378 -0.015 30 20 DBED C#Cc1cncc(C(=O)N2CCN([C@H](C)C(=O)NC)CC2)c1 950407062 XGDXXDVVLQPJRN-GFCCVEGCSA-N 300.362 -0.045 30 20 DBED CN(C(=O)c1cnn(C)n1)C1CN(C(=O)c2c[nH]c(C#N)c2)C1 954779363 PFXHOQGYZFVJKS-UHFFFAOYSA-N 313.321 -0.389 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N(C)C(=O)c2cnon2)C1 955089007 CERTXLFFNIDZPP-PWSUYJOCSA-N 306.322 -0.057 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H]1CNC(=O)c1c[nH]c(C(N)=O)c1 956192934 PEFHJVURYORQMK-ONGXEEELSA-N 317.349 -0.006 30 20 DBED CN1CC[C@@H](C(=O)N[C@]2(C)CCN(C(=O)C#CC3CC3)C2)C1=O 957352541 CKMOQXCUMFOIQR-SUMWQHHRSA-N 317.389 -0.015 30 20 DBED C=CCN1C[C@@H](O)[C@H](CNC(=O)c2ccn(CCN(C)C)n2)C1 958077584 WQNYHJMDIAMTMN-UKRRQHHQSA-N 321.425 -0.347 30 20 DBED C=CCn1cccc1C(=O)N[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C 958341869 WSIZXAKOMLOSJW-GHMZBOCLSA-N 304.350 -0.264 30 20 DBED C#CCCN1C[C@@H](O)[C@H](CNC(=O)c2ccc(=O)n(CC)n2)C1 958494329 OEQGLZMFTZHYFL-TZMCWYRMSA-N 318.377 -0.691 30 20 DBED C=CCN1C[C@H]2[C@H](NC(=O)c3ccc(=O)n(CCOC)n3)[C@H]2C1 960929271 LJBIAADGVTYJNN-JYAVWHMHSA-N 318.377 -0.264 30 20 DBED C#CCN1CCC(C(=O)N2C[C@H](O)[C@H](NC(=O)C3CC3)C2)CC1 961104096 XTKBBLGBVNSDLQ-CABCVRRESA-N 319.405 -0.571 30 20 DBED C#Cc1cncc(C(=O)N[C@H]2[C@@H]3CN([C@H](C)C(=O)NC)C[C@@H]32)c1 961723863 UAYZSWKQIFEAGE-RABLLNBGSA-N 312.373 -0.143 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1[C@H]2CN(Cc3nncn3C)C[C@H]12 961823124 HKWONALZFMVFOL-VOAKCMCISA-N 317.393 -0.047 30 20 DBED C#CCN1CC[C@@H](C)[C@H](NC(=O)Cn2ccc(O)nc2=O)C1 967274715 RXEHIGKQIGGQFK-VXGBXAGGSA-N 304.350 -0.591 30 20 DBED COc1c(O)nc(O)nc1C(=O)N[C@@H](C)C1CN(CC#N)C1 970734654 GWWGMBWKFPBKBU-ZETCQYMHSA-N 307.310 -0.530 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@]2(CN(CC(=O)N3CCC3)CCO2)C1 972297164 HBWHIKSIGBMFKE-CJNGLKHVSA-N 320.393 -0.318 30 20 DBED N#CCN1CCO[C@@]2(CCN(C(=O)[C@H]3CCNC(=O)C3)C2)C1 972337784 AJFASKFRQKHPHY-WFASDCNBSA-N 306.366 -0.661 30 20 DBED CN1C[C@H](C(=O)N2CC[C@@]3(CN(CC#N)CCO3)C2)CCC1=O 972689403 XMILOLXSPNFUMT-CZUORRHYSA-N 320.393 -0.318 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)Cn3cncn3)C[C@H]21 974989854 YKQGOQVYXFPXCE-IJLUTSLNSA-N 302.338 -0.503 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)c2ccc(O)nn2)C1 990156776 JZPBPMVIRLGVNN-PWSUYJOCSA-N 318.333 -0.286 30 20 DBED C#CCN1CC[C@@]2(NC(=O)CN3CCN(C)C(=O)C3)CCC[C@H]12 991469932 GUCSPKCAFYOUNU-YOEHRIQHSA-N 318.421 -0.493 30 20 DBED Cc1nc(C)c(CC(=O)NC2CN(C(=O)[C@@H](C)C#N)C2)c(O)n1 991686380 JVEKEZNIXVUVJR-QMMMGPOBSA-N 317.349 -0.172 30 20 DBED Cn1c(O)ncc(C(=O)N[C@@]23CCC[C@H]2N(CC#N)CC3)c1=O 992101183 VQZGCXQOKLPVLE-IAQYHMDHSA-N 317.349 -0.264 30 20 DBED N#CCN1CCN(C2CCC(NC(=O)c3cnn[nH]3)CC2)CC1 996782099 HBFNRNMWRKKIII-UHFFFAOYSA-N 317.397 -0.013 30 20 DBED C[C@@H](C#N)C(=O)N1CC(CNC(=O)[C@H]2CCc3nn[nH]c3C2)C1 1003315963 ZMBNXMYBCQGWIE-ONGXEEELSA-N 316.365 -0.356 30 20 DBED C[C@H]1CCN(C(=O)C(=O)N2CCN(C(=O)C#CC3CC3)CC2)C1 1011109363 BBOKABCRKVWKHL-ZDUSSCGKSA-N 317.389 -0.061 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C(=O)c2ccn(C)c(=O)c2)CC1 1011423530 YCFKUNGJSCQZFQ-NSHDSACASA-N 302.334 -0.171 30 20 DBED N#Cc1ccc(C(=O)NC2[C@@H]3CN(C(=O)c4nc[nH]n4)C[C@@H]23)[nH]1 1012972312 SPCIEVZMZYTPLL-RKDXNWHRSA-N 311.305 -0.495 30 20 DBED C#Cc1ccccc1CC(=O)N1C[C@H](NC(=O)C(N)=O)C[C@@H]1C 1013489679 BLDISNZEVKSNSA-SMDDNHRTSA-N 313.357 -0.199 30 20 DBED C[C@H](C#N)C(=O)N1CCC2(C1)CN(C(=O)[C@]1(C)CCC(=O)N1)C2 1019399554 SOKDZDZRXYMBEY-ABAIWWIYSA-N 318.377 -0.124 30 20 DBED N#CCN[C@H]1C[C@@H](NC(=O)c2cnc3c(c2)NC(=O)CO3)C1 1022374647 KBHFRZUTMVGVQU-AOOOYVTPSA-N 301.306 -0.214 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H]2CCN([C@H]3CCNC3=O)C2)c1 1028470306 HGCWQSAOZLWCNZ-MFKMUULPSA-N 301.350 -0.173 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN(CCn2cccn2)C1 1030462949 BHWLSYMYESGBTD-HNNXBMFYSA-N 301.394 -0.219 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)[C@]3(F)CCOC3)C2)C1=O 1030839168 CAMJZYIFFQDSNJ-DOMZBBRYSA-N 311.357 -0.298 30 20 DBED CC#CCN1CCCC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C1 1034542956 CYKWUDFTFYFBDR-GFCCVEGCSA-N 318.381 -0.629 30 20 DBED N#CCN1CCO[C@@H](CNC(=O)c2cncc3nc[nH]c23)C1 1035380738 YVSCVMYYCCKUQO-JTQLQIEISA-N 300.322 -0.088 30 20 DBED CC#CCN1CC[C@H]2CN(C(=O)Cn3ncn(C)c3=O)CC[C@H]21 1036753749 VWUNIFVXXUHDMU-UONOGXRCSA-N 317.393 -0.472 30 20 DBED C=C(C)CCC(=O)NC[C@@]1(O)CCN(C(=O)Cn2cncn2)C1 1040040803 JMLXSPKDVZJZJZ-HNNXBMFYSA-N 321.381 -0.286 30 20 DBED C[C@H]1CN(C(=O)C(N)=O)CC[C@@H]1CN=c1cc[nH]cc1C#N 1040439578 AAAGSFZHLIPZEE-WDEREUQCSA-N 301.350 -0.243 30 20 DBED C[C@@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)CN(C)C2CCC2)C1 1040766281 OBBOEWMVWKJZOX-BLLLJJGKSA-N 322.409 -0.290 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@@]2(CCN(CC(N)=O)C2)C1 1041368294 LKXYMVIKRIGSAM-WMLDXEAASA-N 318.421 -0.506 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)c2ccoc2C)C1 1041393858 YIEVPFOTOLYOKB-GFCCVEGCSA-N 320.345 -0.071 30 20 DBED CC(C)OCCC(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1041583772 XRLOJFIIQUHPCI-UHFFFAOYSA-N 308.378 -0.096 30 20 DBED CC#CCN1CC[C@]2(CCN(C(=O)C[C@H]3CC(=O)NC3=O)C2)C1 1041862359 YTQKYVWHEVHYNJ-DYVFJYSZSA-N 317.389 -0.013 30 20 DBED C#CCN1CC[C@H]2CCN(C(=O)c3cn(C)c(=O)cn3)C[C@H]21 1042159927 IHDIIEWRYWPKAX-GXTWGEPZSA-N 300.362 -0.050 30 20 DBED C[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1NC(=O)Cc1nc[nH]n1 1042191171 JTRIMOMLLGBHAW-NXEZZACHSA-N 312.337 -0.350 30 20 DBED Cc1n[nH]c(C)c1C(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042961006 REFCXEMJJGXSEV-UHFFFAOYSA-N 316.361 -0.257 30 20 DBED CCO[C@@H](C(=O)NCC1(O)CN(C(=O)[C@@H](C)C#N)C1)C(C)C 1043034750 SMMOEJRMZBDNPI-NWDGAFQWSA-N 311.382 -0.103 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)C=C2CCC2)C1 1043040853 YGZAKEYALQYZAQ-GFCCVEGCSA-N 306.362 -0.176 30 20 DBED Cc1ncc(C(=O)N[C@@H]2CN(c3ccncc3C#N)C[C@@H]2O)[nH]1 1043878659 YHOYYBVWBBUGKQ-OCCSQVGLSA-N 312.333 -0.036 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)Cn2cncc2C)C1 1043909303 GFKYWBYMMCKZIB-UHFFFAOYSA-N 318.377 -0.315 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)C[C@H]2CCN(C)C2)C1 1044010880 FMIDICMSAHIBEL-CQSZACIVSA-N 321.421 -0.323 30 20 DBED CN(C(=O)[C@H]1CCc2ncncc2C1)[C@H]1CN(CC#N)C[C@@H]1O 1047406934 AKDSRKXBTAEKRZ-CQDKDKBSSA-N 315.377 -0.391 30 20 DBED C=CCCC(=O)N(C)[C@H]1CN(C(=O)Cc2ncc[nH]2)C[C@@H]1O 1048527625 KUQGNDOVLYNKFD-RYUDHWBXSA-N 306.366 -0.052 30 20 DBED C#CCN1C[C@H]2CN(C(=O)c3cn(CCOC)nn3)C[C@H]2C1 1048816138 RZECIHKWJSJXAS-BETUJISGSA-N 303.366 -0.439 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)[C@@H]1CCc2nn[nH]c2C1 1051209792 NJKWPKHQOYFYRT-VXGBXAGGSA-N 303.366 -0.640 30 20 DBED C#CCCN1CCOC[C@@H]1CNC(=O)[C@H]1CCCS1(=O)=O 1051254936 OQRFDXJBCNVQHQ-QWHCGFSZSA-N 314.407 -0.596 30 20 DBED C[C@@H](O)CN1CC2(C1)CN(C(=O)c1c[nH]c(C#N)c1)CCO2 1053227197 SBMYDQBVIDSWMB-LLVKDONJSA-N 304.350 -0.206 30 20 DBED C#CCN1CC2(CC[C@@H](CNC(=O)[C@H]3C[C@@H](C)CC(=O)N3)O2)C1 1053602321 GLJQYWOIMZXCPO-HZSPNIEDSA-N 319.405 -0.116 30 20 DBED C#CCN1CC2(CC[C@@H](CNC(=O)c3c[nH]c(=O)cn3)O2)C1 1053654354 JUKJNNDQWCOWTK-NSHDSACASA-N 302.334 -0.634 30 20 DBED C[C@@H](C(N)=O)N1CC2(C[C@H](NC(=O)c3cc(C#N)c[nH]3)CO2)C1 1053766748 UVJMIDBSIZBXIJ-ONGXEEELSA-N 317.349 -0.667 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)Cc3ccnn3C)CO2)C1 1053789099 WDQLOHJMINCPSU-CYBMUJFWSA-N 302.378 -0.055 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)c3cc4n(n3)CCCO4)CO2)C1 1053867628 ODDGPTVRLKBKCI-LBPRGKRZSA-N 316.361 -0.128 30 20 DBED N#Cc1cncc(N2CCN(C(=O)[C@@H]3CCC(=O)NC3)CC2)n1 1056079429 OQODNYGRYKRKGS-LLVKDONJSA-N 314.349 -0.477 30 20 DBED N#Cc1cccnc1N1C[C@@H]2C(NC(=O)Cc3nc[nH]n3)[C@H]2C1 1056297899 RFWTXRLDIDWPBC-QWRGUYRKSA-N 309.333 -0.135 30 20 DBED C=CCCOCC(=O)N1C[C@@H]2CCCN(C(=O)C(N)=O)[C@@H]2C1 1056711435 OQRZFBDBUBAEBY-NWDGAFQWSA-N 309.366 -0.486 30 20 DBED CN(c1ccc(C#N)nn1)[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1 1056947346 BASKZBWOTHPWJX-NEPJUHHUSA-N 314.349 -0.336 30 20 DBED COC[C@@H](C)C(=O)NCCN(CCO)C(=O)c1cc(C#N)c[nH]1 1057291540 IKGIUONUZGZSQB-LLVKDONJSA-N 322.365 -0.280 30 20 DBED N#Cc1nc(=NC2CCN(C(=O)[C@H]3COC(=O)N3)CC2)cc[nH]1 1057320408 FOSSYBXGSIEZNL-SNVBAGLBSA-N 316.321 -0.719 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)c1ccncn1 1057441262 GESIEOZALDZQFS-UHFFFAOYSA-N 304.350 -0.169 30 20 DBED CCCN(C)CC(=O)NCCN(CCO)C(=O)C#CC1CC1 1057533258 LCJBZZIWUZDCFN-UHFFFAOYSA-N 309.410 -0.321 30 20 DBED N#Cc1nccc(N2CC[C@@H](NC(=O)Cn3ccccc3=O)C2)n1 1058367026 BQKIZUFAKYIJGZ-GFCCVEGCSA-N 324.344 -0.095 30 20 DBED COc1ncccc1C(=O)NCCN(CCO)C(=O)[C@H](C)C#N 1058656822 LEPYMXQBPLQDCF-LLVKDONJSA-N 320.349 -0.199 30 20 DBED Cc1cc(=N[C@H]2C[C@H](NC(=O)[C@@H]3CNC(=O)N3)C2)c(C#N)c[nH]1 1059392190 UMUSYSISALTZTI-GVXVVHGQSA-N 314.349 -0.576 30 20 DBED CNC(=O)NCC(=O)N1CC[C@H](CCNC(=O)C#CC(C)C)C1 1059782465 GUZFGMKQNRGMPT-ZDUSSCGKSA-N 322.409 -0.070 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](CCNC(=O)CN2CCOCC2)C1 1060288828 GBEFWQGEZNTMMJ-KGLIPLIRSA-N 322.409 -0.167 30 20 DBED C=C(C)C[C@@H](C)C(=O)NC[C@@H]1COCCN1C(=O)CC(N)=O 1061794637 NJPKLRWEUTUZBZ-VXGBXAGGSA-N 311.382 -0.192 30 20 DBED C=CCOCC(=O)NCC1(NC(=O)[C@H](C)NC(C)=O)CCC1 1062702609 WYFPVKQRUXOMFV-NSHDSACASA-N 311.382 -0.131 30 20 DBED C#CCNC(=O)CC(=O)NCC1(NC(=O)c2cc[nH]c2)CCC1 1062830388 YQJXAEPDFVWHMI-UHFFFAOYSA-N 316.361 -0.077 30 20 DBED CN(C(=O)[C@H]1CCC(=O)N1)[C@H]1CCN(c2ccnc(C#N)n2)C1 1062900088 SIXRJKIQJHRSDY-WDEREUQCSA-N 314.349 -0.336 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CN(C(=O)c2cnn(C)c2)CCO1 1064842498 FRGJEKIHYXZVRR-PWSUYJOCSA-N 305.338 -0.463 30 20 DBED C#CCNC(=O)CC(=O)N1CCO[C@H](CNC(=O)CC2CC2)C1 1065064133 TYZMSCGUOWUROV-CYBMUJFWSA-N 321.377 -0.730 30 20 DBED CC(C)(C)C#CC(=O)N1CCO[C@@H](CNC(=O)c2nc[nH]n2)C1 1065139878 FTIORLMRCXWQKS-NSHDSACASA-N 319.365 -0.189 30 20 DBED N#Cc1nccnc1N1CCOC[C@@H]1CNC(=O)c1cc[nH]n1 1066463969 IWROFIDJZAYKMA-JTQLQIEISA-N 313.321 -0.293 30 20 DBED C=CC(C)(C)C(=O)N1CC2(C[C@@H](NC(=O)CNC(C)=O)CO2)C1 1068666107 KHCXVNRYAUMFON-GFCCVEGCSA-N 323.393 -0.179 30 20 DBED C=C(C)CCC(=O)N1CC2(C[C@@H](NC(=O)CNC(C)=O)CO2)C1 1068670653 QDTKQQDGISIKHZ-CYBMUJFWSA-N 323.393 -0.035 30 20 DBED C=C(C)C[C@@H](C)C(=O)N1CC2(C[C@@H](NC(=O)CC(N)=O)CO2)C1 1068781892 GNTAQCHMRVXDPN-VXGBXAGGSA-N 323.393 -0.050 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1COC2(C1)CN(C(=O)c1cn[nH]c1)C2 1069003771 PPKABXUGFVFTAV-GXSJLCMTSA-N 303.322 -0.331 30 20 DBED CC(=O)N[C@@H](C)C(=O)NC1(CNC(=O)[C@H](C)C#N)CCOCC1 1069969965 OPWCVWUHLXTUCE-MNOVXSKESA-N 324.381 -0.548 30 20 DBED C#CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1070002917 ALIJYSSXPGEADQ-SEBNEYGDSA-N 315.377 -0.465 30 20 DBED N#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2csc(O)n2)C1 1070003034 HVKVENLRUMTLGC-SCZZXKLOSA-N 319.350 -0.381 30 20 DBED C=CCN[C@@H]1CN(C(=O)CN2CCCC2=O)C[C@@H]1n1ccnn1 1070137509 MJDUVFOMMPJSFE-OLZOCXBDSA-N 318.381 -0.572 30 20 DBED C=CCOCC(=O)N1CCC[C@@H](NC(=O)CN(C)C(C)=O)C1 1070553332 KIURYQVBOSDZOW-CYBMUJFWSA-N 311.382 -0.226 30 20 DBED C=C(C)CN1C[C@H]2C[C@H]3CN(C(=O)Cn4ncnn4)C[C@@]3(C1)O2 1070800164 UYUWMWMAMAABMF-GZBFAFLISA-N 318.381 -0.449 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)[C@@H]4[C@H]5COC[C@H]54)C[C@@]3(C1)O2 1070839543 LSSOYIWVVOXJHT-FWIYDHSISA-N 302.374 -0.186 30 20 DBED N#CCN[C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1 1071087045 HTBLLJVTCPSMSD-RQJABVFESA-N 320.393 -0.383 30 20 DBED C[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@@]2(CCN(CC#N)C2)O1 1071202543 WQZFGMNWHSDAQH-ABAIWWIYSA-N 317.349 -0.401 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1NC(=O)C1(C(N)=O)CC1 1072039297 PTNVPASAMVZHHG-PWSUYJOCSA-N 303.362 -0.372 30 20 DBED C#CCOCCC(=O)N1C[C@H](C)[C@@H](NC(=O)c2nonc2C)C1 1072094008 NTNUUVMHKOKQEI-JQWIXIFHSA-N 320.349 -0.005 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(C(=O)Cc2nc[nH]n2)C[C@H]1C 1072779081 ZAIVSVKPRJRFQO-VXGBXAGGSA-N 303.366 -0.030 30 20 DBED C#Cc1ccc(C(=O)N2CC3(CCN(CC(=O)NC)C3)C2)cn1 1073137933 UCHBPVROPFAKQT-UHFFFAOYSA-N 312.373 -0.043 30 20 DBED N#CCN1CCCO[C@@H](CNC(=O)[C@@H]2CCCN(C(N)=O)C2)C1 1073687004 GZNCZJKLCFMHPX-OLZOCXBDSA-N 323.397 -0.492 30 20 DBED C=CCN1C[C@@H]2CCN(C(=O)Cn3ccc(=O)n(C)c3=O)[C@@H]2C1 1075857696 AHLAFSSANASOSD-QWHCGFSZSA-N 318.377 -0.734 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3cnc(C)n3C2)C1 1077583695 IXQHTUYJBFTCBG-FVQBIDKESA-N 316.405 -0.061 30 20 DBED CCN(C(=O)CC(=O)NC)C1CN(C(=O)c2c[nH]c(C#N)c2)C1 1079658680 FFXGYUIEROIMNM-UHFFFAOYSA-N 317.349 -0.305 30 20 DBED C#CCOCCC(=O)N(CC)C1CN(C(=O)CNC(C)=O)C1 1079773385 IRQNLGSGQPMUHO-UHFFFAOYSA-N 309.366 -0.778 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2ccnn2C)C1 1081320817 IEHMCTJVRZFIFA-OCCSQVGLSA-N 318.377 -0.227 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)COCC=C)C[C@@H]1O 1081347321 UYXNRNQCINAPEH-STQMWFEESA-N 312.366 -0.673 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)CN2CCCC2)C[C@@H]1O 1081465243 DHJVDVVTTGDMKN-CABCVRRESA-N 321.421 -0.323 30 20 DBED Cn1cnc(C(=O)N2C[C@@H](O)[C@H](CNC(=O)C#CC3CC3)C2)c1 1081472582 ZQJMFQIYVLXHDT-TZMCWYRMSA-N 316.361 -0.617 30 20 DBED C=CC(C)(C)C(=O)NC[C@H]1CN(C(=O)CC(=O)NC)C[C@@H]1O 1081640667 PIAYDAJTKMAYDM-QWRGUYRKSA-N 311.382 -0.730 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CCCCN1C(=O)CCn1cnnn1 1082250177 MWPDGKCQYVPWTO-RYUDHWBXSA-N 319.369 -0.280 30 20 DBED C[C@@H](C#N)C(=O)N1CCCC[C@H]1CNC(=O)C1(C(N)=O)CC1 1082267292 LYKAFEOCUHFZJB-QWRGUYRKSA-N 306.366 -0.091 30 20 DBED C=CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1ccc(=O)n(CC)n1 1083226053 DSDCCLQKPPYVDF-UONOGXRCSA-N 318.377 -0.026 30 20 DBED CCC(=O)N1CCC[C@H](C(=O)N[C@@H]2CN(CC#N)C[C@@H]2O)C1 1083484157 XEXNVVZIRPGSSB-XQQFMLRXSA-N 308.382 -0.680 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)Cn2cc(C3CC3)nn2)C1 1083522397 FFDUENDLFFNFRS-KGLIPLIRSA-N 305.382 -0.107 30 20 DBED C[C@@H](C[C@H](C)Nc1ccc(C#N)nn1)NC(=O)Cn1cnnn1 1089215401 PLUTZLHSFYPVPY-UWVGGRQHSA-N 315.341 -0.270 30 20 DBED C[C@H](C[C@@H](C)NC(=O)Cn1ncnn1)N=c1cc[nH]cc1C#N 1089401152 SLQDGUPXVUSOPS-GHMZBOCLSA-N 314.353 -0.243 30 20 DBED CCO[C@H](C)C(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1O 1090391239 GNGIXHXTQNVUHI-YUSALJHKSA-N 305.338 -0.561 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2cnc(O)cc2OC)[C@@H](O)C1 1090578611 WZQOVVABMFLOHL-STQMWFEESA-N 319.361 -0.016 30 20 DBED C[C@H](NC(N)=O)C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1C 1090699743 MYSZLJXAORYBRI-WCABBAIRSA-N 317.353 -0.654 30 20 DBED C=CCN1CC[C@@H](NC(=O)Cn2c(C)csc2=O)[C@H](O)C1 1090797157 UYTBCKUXBYBNPF-VXGBXAGGSA-N 311.407 -0.044 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1091118529 NRFWPSIPAWJGKQ-UHTWSYAYSA-N 317.349 -0.395 30 20 DBED CC(=O)NCC[C@@H]1CN(c2ccc(C#N)nn2)CCS1(=O)=O 1091303288 BCQTUCOEEOOWFN-GFCCVEGCSA-N 323.378 -0.522 30 20 DBED CCCOCC(=O)N[C@@H]1CCN(c2cnc(C#N)cn2)C[C@H]1O 1092143837 VANZDXNEZBRDIH-CHWSQXEVSA-N 319.365 -0.169 30 20 DBED CN(C)CCC(=O)NC1[C@H]2CN(c3cncc(C#N)n3)C[C@H]12 1093342671 QOQNIEGDLPFNIV-RYUDHWBXSA-N 300.366 -0.149 30 20 DBED N#Cc1ccc(NCCNC(=O)C[C@@H]2NC(=O)NC2=O)cn1 1094214252 HADWNDYOVWAUCT-JTQLQIEISA-N 302.294 -0.921 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)c3coc(CC)n3)CC2=O)C1 1094728709 ZWBSCJOLIRMUHC-NSHDSACASA-N 316.361 -0.115 30 20 DBED CCC(=O)NCC(=O)NC1CCN(c2ccnc(C#N)n2)CC1 1095397945 NXTOHGGLUYECSP-UHFFFAOYSA-N 316.365 -0.041 30 20 DBED CC(=O)N[C@@H](C)C(=O)N[C@H]1C[C@@H](N=c2cc[nH]cc2C#N)C1 1097144433 GRKPLSSKBWIAFE-TVYUQYBPSA-N 301.350 -0.041 30 20 DBED C[C@H](CNC(=O)[C@@H]1COCCN1C)Nc1cncc(C#N)n1 1097765850 ZHHDDSIDYJNFKC-PWSUYJOCSA-N 304.354 -0.405 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCCNC1=O)Nc1nccnc1C#N 1098120631 JLUXGWNIXVBUQR-UWVGGRQHSA-N 302.338 -0.209 30 20 DBED C[C@H](CNC(=O)CN1CCNC(=O)C1)Nc1ncccc1C#N 1098188733 XWUJNABHXFTANX-LLVKDONJSA-N 316.365 -0.698 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1CCC[C@@H](NC(=O)CNC(N)=O)C1 1098590672 VGQZERPCOIECHZ-NWDGAFQWSA-N 316.365 -0.117 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2cscn2)[C@H](O)C1 1099716332 UOWCJTZLVQUVQL-DGCLKSJQSA-N 309.391 -0.042 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(Cc2ncnn2C)C[C@H]1O 1099741423 SWWHZJHWPPVVSK-NWDGAFQWSA-N 309.370 -0.931 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2cncnc2)[C@H](O)C1 1099785917 KCTTUOJVYCKUFC-ZIAGYGMSSA-N 304.350 -0.709 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2[nH]c(C)nc2C)[C@H](O)C1 1100006993 VZSRJGAUQDTUEK-UONOGXRCSA-N 320.393 -0.159 30 20 DBED C#CCNC(=O)CC(=O)NCCN(C)c1cc(C)ncc1C#N 1100037839 VXCBELIXTIUUBP-UHFFFAOYSA-N 313.361 -0.046 30 20 DBED C#CCN1CC[C@@H](NC(=O)COCc2cccnc2)[C@H](O)C1 1100090327 SDUSCIXIOUKYMS-HUUCEWRRSA-N 303.362 -0.217 30 20 DBED C=C(C)CNC1CC(CNC(=O)CCNS(C)(=O)=O)C1 1100379716 YIGHPALNRNCDLP-UHFFFAOYSA-N 303.428 -0.014 30 20 DBED N#CCNC(=O)CNC1CC(CNC(=O)CN2CCCC2)C1 1100984794 SBVRXTQGRQEZRW-UHFFFAOYSA-N 307.398 -0.794 30 20 DBED C=CCCNC1CC(CNC(=O)c2cn(CC(N)=O)nn2)C1 1101033141 DMUMNOBWQDUOKI-UHFFFAOYSA-N 306.370 -0.563 30 20 DBED C#CCOCCC(=O)N1C[C@H]2CN([C@@H](C)C(N)=O)C[C@@]2(C)C1 1101234477 ABSNNSVEPHNNOV-ZENOOKHLSA-N 307.394 -0.320 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1CNC(=O)c1cnns1 1101760877 ZPUDVOZCEIOQTP-NXEZZACHSA-N 322.394 -0.524 30 20 DBED COC[C@H](OC)C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(C#N)nn1 1102571001 DXQDWOSLSJLFNE-AVGNSLFASA-N 317.349 -0.201 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)[C@@H]1CCCNC1=O 1104107323 VSXYVCATJXUYEM-GHMZBOCLSA-N 316.365 -0.539 30 20 DBED C[C@H](CN=c1cc[nH]cc1C#N)N(C)C(=O)[C@H]1CN(C)CCO1 1104539274 XOXLTYNTMKTDSB-IUODEOHRSA-N 317.393 -0.035 30 20 DBED CC(C)[C@@H](CNC(=O)[C@H](C)NC(N)=O)Nc1ccc(C#N)nn1 1105178175 RCXLPULFNWICIU-GXSJLCMTSA-N 319.369 -0.042 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H](O)CNC(=O)C1=COCCO1 1105714651 FFUCZVKTZDTKGY-LLVKDONJSA-N 304.306 -0.848 30 20 DBED Cc1nc[nH]c1C(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1 1105888654 VWTAYJKONYCERG-SECBINFHSA-N 301.310 -0.996 30 20 DBED Cc1ccc(C#N)c(NC[C@@H](O)CNC(=O)c2cnn(C)n2)n1 1105899152 YLHTUETVNNLWRS-LLVKDONJSA-N 315.337 -0.407 30 20 DBED CC(C)[C@H](C(=O)NC[C@H](O)CNc1ccc(C#N)nn1)N(C)C 1105917591 KUPAQLBIVRIQJH-TZMCWYRMSA-N 320.397 -0.177 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](O)CNC(=O)c2cccnn2)n1 1105936342 ZCJDEZBKTVPSSW-NSHDSACASA-N 313.321 -0.351 30 20 DBED CC(=O)N1CC(C(=O)N[C@H](C)CCN=c2cc[nH]c(C#N)n2)C1 1106307623 HICUPQCMWALPKR-SNVBAGLBSA-N 316.365 -0.445 30 20 DBED C[C@H](CN=c1cc[nH]cc1C#N)NC(=O)c1cn(C)c(=O)n1C 1107798126 AZWFOIZNTOGCLY-SNVBAGLBSA-N 314.349 -0.357 30 20 DBED C=CCN1CCO[C@@](C)(CNC(=O)C(=O)NCC(F)F)C1 1108039839 GTVVVOBEVSWZKB-ZDUSSCGKSA-N 305.325 -0.239 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)[C@H]2COCCN2C(C)=O)C1 1108407916 FICBPFIXYZMNJN-ZBFHGGJFSA-N 323.393 -0.926 30 20 DBED N#CCN1CC(N2C[C@H](NC(=O)CC[C@@H]3CCCO3)CC2=O)C1 1108506737 YVHHACHULCRXFY-OCCSQVGLSA-N 320.393 -0.130 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H]1CC(=O)N(C2CN(C(C)C)C2)C1 1108546363 VDSFUXALCCYSJQ-STQMWFEESA-N 307.394 -0.166 30 20 DBED N#CCN1CC(N2C[C@H](NC(=O)CCc3cnc[nH]3)CC2=O)C1 1108549821 QEOCFQOWZMYTLF-GFCCVEGCSA-N 316.365 -0.733 30 20 DBED COCC1(C(=O)N[C@@H]2CC(=O)N(C3CN(CC#N)C3)C2)CC1 1108557511 UPIFARMDKOHBLR-LLVKDONJSA-N 306.366 -0.662 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCOCC 1109175689 WOSJUACOQIHWTJ-RDBSUJKOSA-N 307.394 -0.116 30 20 DBED CN(CCCN=c1cc[nH]c(C#N)n1)C(=O)C[C@@H]1COC(=O)C1 1109435997 WMOJNGLVZDKUOS-NSHDSACASA-N 317.349 -0.016 30 20 DBED Cc1nn[nH]c1C(=O)N(C)CCCN=c1cc[nH]c(C#N)n1 1109574768 RHKCCCKZLQYKLC-UHFFFAOYSA-N 300.326 -0.229 30 20 DBED N#Cc1cncc(NC[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C2CC2)n1 1109978799 XWJXUISISPQDGC-WOPDTQHZSA-N 314.349 -0.224 30 20 DBED C[C@@]1(NC(=O)Cn2ncnn2)CCN(c2ncccc2C#N)C1 1110785551 AHPRKWFPENVVQD-CQSZACIVSA-N 312.337 -0.275 30 20 DBED CCOCC(=O)N[C@@]1(CO)CCCN(c2cnc(C#N)cn2)C1 1111326112 GBLJFWXSOFUYPX-HNNXBMFYSA-N 319.365 -0.168 30 20 DBED C#CCOCCC(=O)N[C@@]1(CO)CCCN(c2ncccn2)C1 1111361553 SRZRQMDWYSGJFT-INIZCTEOSA-N 318.377 -0.036 30 20 DBED CC(=O)NCC(=O)N1CCO[C@H](CNc2ccc(C#N)cn2)C1 1111930023 UIVLMNSUNUJBOB-CYBMUJFWSA-N 317.349 -0.271 30 20 DBED Cc1nsc(N2C[C@@H](O)[C@H](CNC(=O)CC(N)=O)C2)c1C#N 1112724832 FKLIMCAZOGFTTF-PSASIEDQSA-N 323.378 -0.888 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)C[C@H]2CCCCO2)CC1 1112761779 LDVNXFHRCYUPSQ-CYBMUJFWSA-N 308.382 -0.270 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCN([C@H](C)C(=O)NCC=C)CC1 1112841549 BWYROOYHPRHKOP-KGLIPLIRSA-N 307.394 -0.140 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)[C@@H](C)NC(=O)CC)CC1 1112880068 MDPXQUYWXYWPAX-CHWSQXEVSA-N 324.425 -0.264 30 20 DBED CNC(=O)C1(C(=O)N[C@@H](C)[C@@H](C)N=c2cc[nH]c(C#N)n2)CC1 1113086528 FXUDWXBGFVTVMV-ZJUUUORDSA-N 316.365 -0.399 30 20 DBED CN(CC(C)(C)CN=c1cc[nH]c(C#N)n1)C(=O)CC(N)=O 1113412610 GQDMGDYCPBHNRN-UHFFFAOYSA-N 304.354 -0.458 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)C(C)(C)NC(C)=O)CC1 1113434633 SFBYRUFRQSQMIC-GFCCVEGCSA-N 322.409 -0.817 30 20 DBED CC[C@H](C)C(=O)NCC(=O)N1CCN(CC#CCOC)CC1 1113641953 VRWOCPFGOMZWAJ-AWEZNQCLSA-N 309.410 -0.057 30 20 DBED Cc1nc(CN2C[C@H]3[C@H](NC(=O)CSCC#N)[C@H]3C2)n[nH]1 1113896360 AGVPUJCHNDTYKA-IWIIMEHWSA-N 306.395 -0.084 30 20 DBED Cc1ncc(C(=O)NC2[C@H]3CN(CC(=O)NCC#N)C[C@H]23)s1 1113983408 KIYBYBNMIFTCFD-UWVGGRQHSA-N 319.390 -0.249 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@@H](OC)C3CC3)[C@H]2C1 1114208767 FHNXFXYYCUYUMV-MXYBEHONSA-N 307.394 -0.240 30 20 DBED C#CCN1C[C@H]2[C@H](NC(=O)CCNC(=O)c3ccncc3)[C@H]2C1 1114366088 KJUIHEHMXFNMSY-FOLVSLTJSA-N 312.373 -0.119 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)CC(=O)N(C)C)[C@H]2C1 1114947788 QUIILHRAPONOSI-FJJYHAOUSA-N 322.409 -0.798 30 20 DBED C=CCCCNC(=O)C(=O)N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1117544555 WQAGUEQNRRCWOV-LLVKDONJSA-N 322.365 -0.436 30 20 DBED CCn1nc(C)c(CNC(=O)C(=O)N2CCC(C#N)CC2)n1 1118116879 OPJWDRNCFGJNDT-UHFFFAOYSA-N 304.354 -0.015 30 20 DBED C[C@@H](CN(C)C(=O)[C@@H]1CN(C)C(=O)N1)N=c1cc[nH]c(C#N)n1 1120407459 ITNVQIRWUDXGPK-UWVGGRQHSA-N 317.353 -0.947 30 20 DBED Cc1cc(C#N)nc(N[C@@H](CO)CNC(=O)c2cc[nH]n2)n1 1121143062 JBPVESLHPKGQIF-SNVBAGLBSA-N 301.310 -0.417 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)c2ccc(C#N)[nH]2)nn1 1121317325 KQPQFBGQIYTVLC-NSHDSACASA-N 311.305 -0.249 30 20 DBED CCn1nncc1C(=O)NC[C@@H](CO)N=c1cc[nH]cc1C#N 1121473725 ZOEKLPUQVDLPIX-NSHDSACASA-N 315.337 -0.811 30 20 DBED CC(=O)N(C)CC(=O)N1C[C@H](N=c2cc[nH]c(C#N)n2)C[C@H]1C 1123156843 LCXFTOLRBDWELY-ZYHUDNBSSA-N 316.365 -0.350 30 20 DBED CN(C[C@H](O)CNc1ccc(C#N)cn1)C(=O)CCCC(N)=O 1124394602 YJFQKPACCDCFAL-GFCCVEGCSA-N 319.365 -0.160 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C[C@H](O)CN(C)c1ncc(F)cn1 1125163169 XFKHBBYJOADQEJ-AAEUAGOBSA-N 324.356 -0.091 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H](CC)NC(C)=O)C1 1129280947 UWARZYDANDXCOL-MJBXVCDLSA-N 320.397 -0.280 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(CCCO)C[C@@H]1n1ccnn1 1129482231 SFBVRGJMVBWEDS-MCIONIFRSA-N 323.397 -0.407 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@H]1CCCn2nccc21 1130438500 TXICMISDRVWALU-LBPRGKRZSA-N 303.366 -0.784 30 20 DBED C#Cc1ccc(C(=O)NCCNCCN2C(=O)CNC2=O)cc1 1132226976 XFLXESVMYKVEAS-UHFFFAOYSA-N 314.345 -0.461 30 20 DBED COCC#CCN1C[C@H](NC(=O)CCNC(N)=O)CC[C@@H]1C 1132478186 JSWHQDCLFCCOBC-QWHCGFSZSA-N 310.398 -0.336 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)c1cc(C)nn1C 1133831780 XDJHFBNQAYDBMC-RYUDHWBXSA-N 319.409 -0.036 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCCNCc1nc(N(C)C)no1 1134062027 OISPGBMLHAWNJF-MNOVXSKESA-N 309.370 -0.068 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H](C)Cc1cnc[nH]1 1135071133 AOHIHEOOVNYRJF-NWDGAFQWSA-N 305.382 -0.568 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)c1coc(OC)n1 1135092071 HMTWEGXHKIBULM-GHMZBOCLSA-N 322.365 -0.081 30 20 DBED C#CCOCCC(=O)N1CC2(CCN([C@@H](C)C(=O)NC)C2)C1 1147534262 BOVSBCOJWJMJCJ-ZDUSSCGKSA-N 307.394 -0.305 30 20 DBED C#CCNC(=O)CN1CCCO[C@@H](CNC(=O)/C(C)=C/C)C1 1149506219 VDTQLNIQFDDOCK-GUVYXZIWSA-N 307.394 -0.091 30 20 DBED COCC#CCNCCNC(=O)c1ccc(-n2cnnn2)cc1 1150210057 CMMMATQDKOVORI-UHFFFAOYSA-N 314.349 -0.369 30 20 DBED COCC#CCNCCNC(=O)CS(=O)(=O)NC(C)(C)C 1151386431 XSQHOQOJUWSMPB-UHFFFAOYSA-N 319.427 -0.940 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)Cc1ccon1 1152515352 VHIMKODKRBLSLH-GFCCVEGCSA-N 306.366 -0.207 30 20 DBED COCC#CCNCCNC(=O)c1ccnc(-n2cncn2)c1 1153507427 IXJWOUGDSLVXFD-UHFFFAOYSA-N 314.349 -0.369 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)CN(C)C(C)=O)C1=O 1154825206 YWWWIZKTVZOSTM-CYBMUJFWSA-N 310.398 -0.653 30 20 DBED C#CCCNCCCNC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 1158036635 DWKYAGJJRQUYKD-GFCCVEGCSA-N 303.366 -0.118 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@H]1CC(=O)N[C@@H](CC)C1 1163079656 HCECYDKYJXASGP-OLZOCXBDSA-N 322.409 -0.864 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)[C@@H](COC)OC)C1=O 1166164239 JFPDHCSFNLKSKZ-QWHCGFSZSA-N 313.398 -0.469 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)[C@@]1(C)CCNC1=O 1166546094 WEQDMNFMMFXVMA-XHDPSFHLSA-N 310.398 -0.701 30 20 DBED C=CCOCCN1CCO[C@@H]2CCN(C(=O)CC(N)=O)C[C@@H]21 1176949556 PKMHZBLIEKUPBX-QWHCGFSZSA-N 311.382 -0.634 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)C[C@H]2CCC(=O)NC2)C1 1183214713 URYGJORXSKEPGY-ZIAGYGMSSA-N 307.394 -0.257 30 20 DBED C=CCOCCNC[C@H]1CCN(C(=O)Cn2cnnn2)C[C@@H]1C 1183851558 XWEUJUPOMKWCNL-UONOGXRCSA-N 322.413 -0.050 30 20 DBED CC#CCN[C@@H]1CCN(C(=O)CCc2nnc(O)nc2O)C1 1183901855 DEBMTOBAUOZTQI-SNVBAGLBSA-N 305.338 -0.571 30 20 DBED C#CCNC(=O)CNC[C@@H]1CCN(C(=O)c2nc[nH]n2)C[C@H]1C 1185326451 GPRIIQMEXZFQOK-NEPJUHHUSA-N 318.381 -0.758 30 20 DBED C=CCOCCN(C)[C@@H]1CCN(C(=O)Cn2cnnc2O)C1 1189734878 KQEOTYSBFOISCH-GFCCVEGCSA-N 309.370 -0.281 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2cccc(C)c2)C1 1190758336 UBWVAVUTPWNDNI-HUUCEWRRSA-N 315.373 -0.481 30 20 DBED CCN(C)C(=O)CN1C[C@@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 1192038504 VPDVELOMTMAYQI-CHWSQXEVSA-N 319.365 -0.860 30 20 DBED CC(C)CS(=O)(=O)CCC(=O)N[C@@H]1CN(CC#N)C[C@H]1O 1194184450 GLDQTOSEEPHTII-VXGBXAGGSA-N 317.411 -0.868 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)CCS(=O)(=O)CC(C)C)C1 1194185117 RUUBQBKFOHXCRG-CHWSQXEVSA-N 318.439 -0.205 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)COCC2CC2)CC1 1199471517 ZQFCIGXRAPMSOD-UHFFFAOYSA-N 307.394 -0.257 30 20 DBED C#CCNC(=O)CC(=O)N1CCC(NCc2nncn2C)CC1 1200170565 BOFOHNQANOTSSO-UHFFFAOYSA-N 318.381 -0.965 30 20 DBED C=CCNC(=O)[C@@H](C)NC1CCN(C(=O)CC(=O)NCC)CC1 1200186611 FFKVRWCWEGULPR-GFCCVEGCSA-N 324.425 -0.216 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCCO[C@H](CNCC(=O)NC)C1 1200366274 BFNPBBYHTRXTGB-IUODEOHRSA-N 313.398 -0.733 30 20 DBED CNC(=O)C1(C(=O)N2CCCO[C@@H](CNCC#N)C2)CCC1 1201925004 WLYXRYQSLMWBJZ-LBPRGKRZSA-N 308.382 -0.367 30 20 DBED CC#CCNC1CCN(C(=O)[C@H]2CCN(C)S2(=O)=O)CC1 1202872614 JLHXYKGFKWSPTP-CYBMUJFWSA-N 313.423 -0.376 30 20 DBED C#CCN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)CN(C)C(=O)COC)C2 1204407880 JYNJUKYGFUOATQ-MGPQQGTHSA-N 307.394 -0.307 30 20 DBED C=CCNC(=O)CN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)c1nc[nH]n1)C2 1204804975 CZJVPUBCYMQGOY-IJLUTSLNSA-N 318.381 -0.310 30 20 DBED CCNC(=O)CCC(=O)N[C@@H]1CN(CC#CCOC)C[C@H]1C 1206564556 AUPYHPWZBRUBAX-ZIAGYGMSSA-N 309.410 -0.011 30 20 DBED C[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1NC(=O)C#CC1CC1 1206951903 NYLGDPKFIMXJCN-DGCLKSJQSA-N 313.423 -0.615 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCN(C(=O)C[C@H]2COC(=O)C2)C1 1207814699 XJQPMDGKMFDQBS-VXGBXAGGSA-N 322.365 -0.840 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CCCN(C(=O)c2cnnn2C)C1 1207958100 LVBZKKUBLRXCAU-NWDGAFQWSA-N 320.397 -0.300 30 20 DBED C#CCOCCC(=O)N1CCC[C@H](NCc2nc(O)n[nH]2)C1 1208032444 RBKVOMVPCKJLCK-NSHDSACASA-N 307.354 -0.369 30 20 DBED C#CCN1C[C@@H](NC(=O)CNC(=O)C2CCOCC2)[C@H](C)C1 1209566159 QNISBXRRAPXVNY-TZMCWYRMSA-N 307.394 -0.401 30 20 DBED CN1CC[C@@H](C(=O)N2CCC[C@@H](NCC(=O)NCC#N)C2)C1 1211065512 WCGCUNGKCHSIGQ-CHWSQXEVSA-N 307.398 -0.842 30 20 DBED COCC#CCN1C[C@@H](NC(=O)[C@H]2CCCN2C)[C@H](OC)C1 1212026599 QMLAAZOBPUYVIL-RBSFLKMASA-N 309.410 -0.454 30 20 DBED COCC#CCN1C[C@@H](NC(=O)c2nccnc2N)[C@H](OC)C1 1212039532 NSBGCGCHRKUJRP-VXGBXAGGSA-N 319.365 -0.862 30 20 DBED C=C(C)CN1C[C@@H](NC(=O)CCNS(C)(=O)=O)[C@H](OC)C1 1212359237 RXHRKKYQEJPSID-VXGBXAGGSA-N 319.427 -0.683 30 20 DBED C=CCO[C@@H](C)C(=O)N1C[C@@H](NCc2nnnn2C)[C@H](C)C1 1216930077 HVRJTEFROUBMSJ-GRYCIOLGSA-N 308.386 -0.262 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H]2CN(CC(=O)NCC3CC3)C[C@@H]21 1217528815 VEPKGWFFFUWAKJ-KWCYVHTRSA-N 320.393 -0.416 30 20 DBED C=CCCC(=O)N[C@@H]1CN(Cc2nnc3n2CCOC3)C[C@@H]1O 1219333185 SCZDBWRQVPUSQW-NEPJUHHUSA-N 321.381 -0.564 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)CC2=CCCCC2)C1 1219355976 SHFYHXSJJCSOOC-CABCVRRESA-N 319.405 -0.212 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C2CC(F)(F)C2)C1 1219438404 QNHFWKVPFQZVRE-MNOVXSKESA-N 317.336 -0.505 30 20 DBED CCCCCCCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 1220237017 NBDUKOYRUWQRLL-XQQFMLRXSA-N 312.414 -0.201 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2ccn(C)n2)C[C@@H]1O 1221143535 IFIVZULLOBYKKU-YUTCNCBUSA-N 308.382 -0.328 30 20 DBED N#CCNC(=O)CN1CCC(CNC(=O)C2CCOCC2)CC1 1222199781 WNYTVIXBTBMLBA-UHFFFAOYSA-N 322.409 -0.119 30 20 DBED C#CCN1CCS(=O)(=O)[C@H](CCNC(=O)Cn2ccnc2)C1 1230526689 FJQARKKYIWMNSF-CYBMUJFWSA-N 324.406 -0.878 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)CCO1 1261168925 FIPGQDFCXHSPLW-XQHKEYJVSA-N 319.361 -0.189 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CCC[C@H](CN)C2)nn1 1261434897 BAJWXWARFDDLTG-LLVKDONJSA-N 306.370 -0.722 30 20 DBED COCC#CCN[C@@H](C)CCNC(=O)CCS(C)(=O)=O 1267135521 PLSIEMUFJMJRJI-LBPRGKRZSA-N 304.412 -0.445 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 1321003503 KAVJKPFBFLFJFJ-GXTWGEPZSA-N 316.423 -0.355 30 20 DBED C=CCOC[C@H](NC(=O)c1cccc(C(=O)NC)n1)C(=O)OC 1321107496 SRXZGZDMBCJSJX-LBPRGKRZSA-N 321.333 -0.085 30 20 DBED C=CCN1CCC(NC(=O)C(=O)NCCc2cnccn2)CC1 1323392624 UJQXTOZRYCDHSA-UHFFFAOYSA-N 317.393 -0.098 30 20 DBED C#CCSCCNC(=O)C(=O)NCCOC[C@H]1CCCO1 1325957231 ZIUWOEZNDSUNBB-GFCCVEGCSA-N 314.407 -0.219 30 20 DBED CCS(=O)(=O)CCCNC(=O)C(=O)N[C@@H]1CC[C@H](C#N)C1 1326253379 VADLRMRFSSNHPM-WDEREUQCSA-N 315.395 -0.264 30 20 DBED C#CC[C@H](NC(=O)C(=O)NC[C@@H]1COCCN1)c1ccccc1 1328972146 IMYZWDKGWKYILX-CABCVRRESA-N 315.373 -0.028 30 20 DBED C#CCN(CC#CC)c1nnnn1CCCN1CCOCC1 1334464503 WADHAIKNUXXAHI-UHFFFAOYSA-N 302.382 -0.142 30 20 DBED COC[C@@H]1CN(C(=O)C(=O)Nc2cnn(CC#N)c2)CCO1 1334476538 SQYQPJRFMMHFQU-NSHDSACASA-N 307.310 -0.781 30 20 DBED CCN1CCC[C@H](NC(=O)C(=O)N2CCC(C#N)CC2)C1=O 1335100052 PFPLEQJSFUVAQZ-LBPRGKRZSA-N 306.366 -0.124 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCc2nnc(C)s2)C1=O 1342023265 VROWITPIQTULEX-UHFFFAOYSA-N 323.334 -0.560 30 20 DBED C#CCN(C)C(=O)C(=O)Nc1ccc(S(=O)(=O)NC)cc1 1344730649 RFJCBPXDHOUKES-UHFFFAOYSA-N 309.347 -0.375 30 20 DBED C=CCOCCNC(=O)C(=O)N1CCC(O)(C(F)F)CC1 1350022238 AABRSFWZDDIOGG-UHFFFAOYSA-N 306.309 -0.076 30 20 DBED C#CCN(CC)c1nnnn1C[C@H]1CC[C@@H](C(=O)N(C)C)O1 1352613487 ZFDCSLBUTGCHFH-NEPJUHHUSA-N 306.370 -0.232 30 20 DBED N#Cc1cn(CCC(=O)N2CCC[C@@H](CO)C2)c(=O)nc1O 1362038098 CKAUNFARUPCUDI-SNVBAGLBSA-N 306.322 -0.558 30 20 DBED COCCS(=O)(=O)CC(=O)NCC1(C#N)CCOCC1 1363902702 FYDVLHPHWBIGRR-UHFFFAOYSA-N 304.368 -0.516 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)NC[C@@H]1CCS(=O)(=O)C1 1363926887 KRWIPNNUXASJOJ-ZJUUUORDSA-N 309.413 -0.653 30 20 DBED N#Cc1cc(S(=O)(=O)N2C[C@@H](CO)[C@@H](CO)C2)ccc1F 1365454679 RFQQHQXRRSAWGK-PHIMTYICSA-N 314.338 -0.081 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1cnc2cccnn12 1376629387 PAEPDURGTBRQOP-ZJUUUORDSA-N 316.321 -0.904 30 20 DBED C[C@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)[C@@H]1CCNC(=O)C1 1386218324 ROASEFWAUCOMTR-MWLCHTKSSA-N 317.349 -0.353 30 20 DBED CS(=O)(=O)CCC(=O)NC1CN(C(=O)c2cc(C#N)c[nH]2)C1 1389279213 NYQYILNYJLBIJN-UHFFFAOYSA-N 324.362 -0.738 30 20 DBED CCCN(C(=O)Cn1cnnn1)[C@@H]1CCN(C(=O)[C@@H](C)C#N)C1 1408963911 BOAYVLAKGGRMJE-NWDGAFQWSA-N 319.369 -0.328 30 20 DBED C[C@H]1CSC[C@@H]1NC(=O)NCCn1cc(C#N)c(O)nc1=O 1413813930 GALPSONYTRILHX-WPRPVWTQSA-N 323.378 -0.129 30 20 DBED C[C@H](C#N)C(=O)NC[C@@]1(C)CCN(C(=O)CS(C)(=O)=O)C1 1417359287 MCEUDCDIMXJHLG-ZWNOBZJWSA-N 315.395 -0.455 30 20 DBED C[C@@H](CNc1[nH]c(=O)n(C)c(=O)c1C#N)N1CCCCC1=O 1421132347 QTEIUFPOJARQDD-VIFPVBQESA-N 305.338 -0.242 30 20 DBED C[C@H]1CO[C@@H](CO)CN1Cc1cc(O)n2ncc(C#N)c2n1 1421590607 NKORNDMFXXDANC-JOYOIKCWSA-N 303.322 -0.112 30 20 DBED Cc1nn(CC(=O)[C@H]2CCS(=O)(=O)C2)c(=O)c(C#N)c1C 1434453662 RIKLEDPZZSEVRI-JTQLQIEISA-N 309.347 -0.264 30 20 DBED C=C(Cl)CNC[C@H](O)CNC(=O)[C@@H]1CN(CC)CCO1 1439062994 UMZMPQHHKKFTHU-RYUDHWBXSA-N 305.806 -0.474 30 20 DBED COCC1(C(=O)NCCn2cc(C#N)c(O)nc2=O)CCC1 1453841221 IJDDPNULPYCUIO-UHFFFAOYSA-N 306.322 -0.247 30 20 DBED CN(CCNC(=O)c1cnn(C)c1N)C(=O)c1ccc(C#N)[nH]1 1495973298 WZILGQFSOQWNIQ-UHFFFAOYSA-N 315.337 -0.296 30 20 DBED C=CCC1(O)CCN(C(=O)N[C@H]2CC(=O)N(C3CNC3)C2)CC1 1574900329 UTQBSOCJZZKOPV-LBPRGKRZSA-N 322.409 -0.328 30 20 DBED C=CCNC[C@H](O)CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 1588662815 BCUDDOQLCWQPIU-VIFPVBQESA-N 305.342 -0.597 30 20 DBED C[C@@H]1C[C@H](C(=O)O)CN(C(=O)C(=O)N2CCO[C@H](C#N)C2)C1 1589266353 RKVCDSXMLJSHAW-OUAUKWLOSA-N 309.322 -0.693 30 20 DBED N#CCCN1CCN(c2cnc(-c3nn[nH]n3)c(C#N)n2)CC1 1592678460 XKMXOIZKIKWXAN-UHFFFAOYSA-N 310.325 -0.436 30 20 DBED C[C@@H](C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[nH]1)c1cnccn1 1603029667 DANYJASRFMEHAG-ZCFIWIBFSA-N 310.281 -0.006 30 20 DBED Cc1cc(Cn2c(=O)c(C#N)cn(CCO)c2=O)oc1C(=O)O 1607656765 HJTOIKIUUABJBL-UHFFFAOYSA-N 319.273 -0.478 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H](C)CCNC(=O)c1cn(C)nn1 1700323143 RJCUNZWIVNBDCN-QWRGUYRKSA-N 308.386 -0.396 30 20 DBED COC[C@H](O)CN[C@@]1(CO)CCCN(C(=O)C#CC2CC2)C1 1717252441 FCDLCPWBYXWELH-ZBFHGGJFSA-N 310.394 -0.650 30 20 DBED C[C@H](NCC#N)[C@@H]1CCCCN1C(=O)Cn1ncn(C)c1=O 1752141016 BTPNILYMGZCGDA-RYUDHWBXSA-N 306.370 -0.535 30 20 DBED C=CCOCCN1CC(CNC(=O)Cn2nc(C)n(C)c2=O)C1 1753414976 WRGJMOUAIINOOM-UHFFFAOYSA-N 323.397 -0.859 30 20 DBED CCN(C(=O)Cc1cnoc1)[C@H]1CCN(CC(=O)NCC#N)C1 1753459435 NGBQZJZYWUXHNC-ZDUSSCGKSA-N 319.365 -0.220 30 20 DBED CCc1nc[nH]c1C(=O)NC[C@@H](C)CNCC(=O)NCC#N 1753640518 IZWOPCBNEGYFKN-JTQLQIEISA-N 306.370 -0.433 30 20 DBED CC(C)N(C)CC(=O)N1CC[C@@H](NCC(=O)NCC#N)[C@H](C)C1 1753768721 LVWUZWQUWZKKHI-ZIAGYGMSSA-N 323.441 -0.207 30 20 DBED CC#CCNC[C@H](O)CNC(=O)c1cnn(-c2ccccn2)c1 1753931155 XFHAXFQKQOBRDP-AWEZNQCLSA-N 313.361 -0.029 30 20 DBED C#CCNC(=O)[C@@H](C)NCCN(CC)C(=O)[C@@H]1CCN(C)C1=O 1754063033 YYKYBOTZOHNCIL-CHWSQXEVSA-N 322.409 -0.959 30 20 DBED C=C(C)CNC[C@@H](NC(=O)CN1C(=O)CN(C)C1=O)C1CC1 1754459593 ALDYYNBHMODXNR-GFCCVEGCSA-N 308.382 -0.059 30 20 DBED C#CCNC1(CNC(=O)C2(n3cnnn3)CCOCC2)CC1 1754528469 JJAWGNIHNSYRPI-UHFFFAOYSA-N 304.354 -0.950 30 20 DBED C#CCNC(=O)CN1CCC(C)(NC(=O)c2cccnn2)CC1 1754630882 OWODXALTGOOWSC-UHFFFAOYSA-N 315.377 -0.190 30 20 DBED C=CCN1CC[C@H](N2CC(O)(CNC(=O)[C@@H]3C[C@H]3C)C2)C1=O 1754771970 SFWXMUWNGLLXKE-UPJWGTAASA-N 307.394 -0.408 30 20 DBED C=CCNC(=O)CNC[C@H]1CN(C(=O)c2cnn[nH]2)C[C@H]1C 1754820183 WITUVPCGTBRIAH-MNOVXSKESA-N 306.370 -0.595 30 20 DBED C#CCNCCN(CCO)C(=O)c1ccnc(N2CCCC2)n1 1754885372 MMLBKIGYCYSJCF-UHFFFAOYSA-N 317.393 -0.266 30 20 DBED NC(=O)C(=O)N(CCO)CCNCC#Cc1cccc(Cl)c1 1754889890 BGRGJMJYHMEBSS-UHFFFAOYSA-N 323.780 -0.413 30 20 DBED CC(C)(C)[C@H](NC(N)=O)C(=O)NC[C@@H]1COCCN1CC#N 1754975006 SVAXUOYDXTYPDU-GHMZBOCLSA-N 311.386 -0.590 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)[C@H](NC(C)=O)C(C)C)CO2)C1 1755065010 CACVWOGMRZREJQ-UONOGXRCSA-N 307.394 -0.260 30 20 DBED COCC#CCNCC1(O)CCN(C(=O)c2ccn(C)n2)CC1 1755156614 VAQYPFDAXSWIMH-UHFFFAOYSA-N 320.393 -0.373 30 20 DBED CN1CC[C@@H](N2C[C@H]3[C@H](CNC(=O)C#CC4CC4)[C@H]3C2)C1=O 1755422884 LEMOZKPIVUSUOS-APIJFGDWSA-N 301.390 -0.076 30 20 DBED CC(C)(C)C(=O)C(=O)N[C@H]1C[C@H](CNCC(=O)NCC#N)C1 1755467425 WRIIWRDGQYYEQN-XYPYZODXSA-N 308.382 -0.274 30 20 DBED C=C(C)CNC[C@@H](C1CC1)N(C)C(=O)CN1C(=O)CNC1=O 1755571800 NORFXDZNFPDGLD-LBPRGKRZSA-N 308.382 -0.059 30 20 DBED C=CCCCN[C@@H](CO)CNC(=O)[C@@]1(C)CCCS1(=O)=O 1755642130 PPPCLZPLHWDTMD-TZMCWYRMSA-N 318.439 -0.013 30 20 DBED C=CCNC[C@H](O)CN(C)C(=O)c1ccc(-n2cnnn2)cc1 1755797271 YHFFQQXUZOOVIJ-AWEZNQCLSA-N 316.365 -0.129 30 20 DBED C#CCNC(=O)CNC[C@H](NC(=O)c1ccnn1C)C(C)(C)C 1755822890 YQUWHIXLLGOQQY-ZDUSSCGKSA-N 319.409 -0.096 30 20 DBED C[C@H](CN(C)C(=O)[C@H]1CCNC1=O)NC(=O)CSCC#N 1756480429 CWIXQBDRACVFIW-ZJUUUORDSA-N 312.395 -0.658 30 20 DBED CCOc1cc(C(=O)NC[C@@H](CO)NC(=O)C#CC2CC2)on1 1756535835 JGDWQJAYBRUGHK-NSHDSACASA-N 321.333 -0.306 30 20 DBED C=CCOCC(=O)N[C@H]1C[C@@H](CNC(=O)c2[nH]nnc2C)C1 1757325779 RUMZQBLLQAHXQS-PHIMTYICSA-N 307.354 -0.060 30 20 DBED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1C=CCN1)C2 1781692854 KYHBEKKSOONPKR-JJRVBVJISA-N 317.389 -0.339 30 20 DBED C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(N)=O)C1 1781771148 BQAHJBVFQSSXBS-MLGOLLRUSA-N 321.377 -0.601 30 20 DBED C[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)S)C2 1800755702 LVZZSOJPRMGQLA-MVCUBJFGSA-N 302.396 -0.725 30 20 DBED N#CC1(C(=O)N2CC3(CCCN3C(=O)[C@@H]3CCC(=O)N3)C2)CC1 1842735892 XKKYLVGCHQRFOW-NSHDSACASA-N 316.361 -0.228 30 20 DBED Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)OCC(=O)NC(N)=O 17222883 VMFVMUVWTINTSA-UHFFFAOYSA-N 320.305 -0.466 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)NCC2CC2)c1=O 73624882 LZHHNNWXHCKJFY-UHFFFAOYSA-N 320.349 -0.930 30 20 DBED Cn1ncc2c(=O)n(CC(=O)NC3(C#N)CCCCC3)nnc21 154466694 BCUSPRKLIKVCFN-UHFFFAOYSA-N 315.337 -0.132 30 20 DBED C#CCN(CC#C)C(=O)[C@H]1CC[C@H](C(=O)N(CC#C)CC#C)O1 190012328 DITLQIAHEAQPOY-HZPDHXFCSA-N 310.353 -0.276 30 20 DBED CNS(=O)(=O)CCNS(=O)(=O)c1cccc(F)c1C#N 221088227 XKWUJNKKTIHFAT-UHFFFAOYSA-N 321.355 -0.475 30 20 DBED C[C@H]1CN([C@H](C)C(=O)N(C)CCC#N)CCN1S(C)(=O)=O 245604173 HCGJRWOIMSLLAE-NWDGAFQWSA-N 316.427 -0.287 30 20 DBED C/N=C(/NC[C@]1(O)CCSC1)N[C@H]1CCc2nc(C)nn2C1 262426044 RQHPEFPOEQOUKK-SMDDNHRTSA-N 324.454 -0.066 30 20 DBED COC(=O)NCC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 268360012 KFWDVBMMLIBCII-JTQLQIEISA-N 318.337 -0.259 30 20 DBED COC(=O)[C@H]1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)C[C@H]1C 276924969 PBCXKTOEXQLOQX-ZJUUUORDSA-N 320.349 -0.409 30 20 DBED C#CCN(C)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 282745754 ZQGUFNFWQVBJGE-UHFFFAOYSA-N 305.338 -0.161 30 20 DBED C=C[C@@H](CO)NC(=O)c1cc(S(=O)(=O)N(C)C)cn1C 290600438 NBCPVKUKRVQUIU-VIFPVBQESA-N 301.368 -0.448 30 20 DBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1C[C@@H](O)C1 298355872 LGHFNCJXCJTYMK-ZMLRMANQSA-N 323.374 -0.135 30 20 DBED N#Cc1ccc(N2CCN(C(=O)CN3CCOCC3)CC2)nn1 301850243 WKMSRPHNDXFHHJ-UHFFFAOYSA-N 316.365 -0.671 30 20 DBED CN1CCN(CC(=O)N2CCC[C@H]2/C(O)=N/C2CC2)CC1=O 329541219 DGQGPGJORHOGKS-LBPRGKRZSA-N 308.382 -0.130 30 20 DBED CCOC(=O)CCCNS(=O)(=O)N1CCO[C@H](C#N)C1 336925487 WIZAAXPZGVWDES-SNVBAGLBSA-N 305.356 -0.612 30 20 DBED CCOC(=O)[C@@H]1CC[C@H](C(=O)OCC)N1CC(=O)NCC#N 338327275 YUCXUTIHFKNFEN-PHIMTYICSA-N 311.338 -0.415 30 20 DBED CN(CCC#N)S(=O)(=O)N[C@H](C1CC1)[C@]1(CO)CCCO1 339145954 YWCUZPBROGUCAZ-CHWSQXEVSA-N 317.411 -0.014 30 20 DBED C=CCNC(=O)CNC(=O)C(=O)Nc1cnn(C(C)(C)C)c1 347232952 NXQJNKJXHFTDSL-UHFFFAOYSA-N 307.354 -0.005 30 20 DBED COC(=O)CN(CC#N)C(=O)CCCN1C(=O)NC(C)(C)C1=O 348784598 NOJSPYAAOMXSKF-UHFFFAOYSA-N 324.337 -0.378 30 20 DBED N#Cc1ccc(S(=O)(=O)NCCCn2cc(CO)nn2)cn1 349771840 AVYRYFTZDWHRCS-UHFFFAOYSA-N 322.350 -0.594 30 20 DBED C[C@@H]1COCC[C@@H]1CNS(=O)(=O)N1CCO[C@@H](C#N)C1 352346051 PYULIKOIRJOLAO-UTUOFQBUSA-N 303.384 -0.282 30 20 DBED CN1CC(=O)N(CC(=O)NCC(=O)c2ccc(C#N)cc2)C1=O 356200837 FPNLOWOIYASDBP-UHFFFAOYSA-N 314.301 -0.249 30 20 DBED CCOc1cccc(NC(=O)C(=O)NCC(=O)NCC#N)c1 357289457 MHBWFTAXMIQBSY-UHFFFAOYSA-N 304.306 -0.220 30 20 DBED CC(C)[C@H](CNC(=O)NCC(=O)NCC#N)N1CCN(C)CC1 358317383 VCOMUOYSRSOKFU-ZDUSSCGKSA-N 324.429 -0.803 30 20 DBED C#CCSCCNC(=O)N1CCC[C@H](S(N)(=O)=O)C1 369106640 KMGLYYCRICFODC-JTQLQIEISA-N 305.425 -0.185 30 20 DBED C=C(C)CN(C)C(=O)C(=O)N1CCCC[C@H]1CNC(=O)CCN 423654410 ARLGPSXXSZWIJG-ZDUSSCGKSA-N 324.425 -0.133 30 20 DBED C=CCn1cc(CNC(=O)N(C)CCNC(=O)N(C)C)nn1 425885029 XXRQTYBBKBLPHN-UHFFFAOYSA-N 309.374 -0.123 30 20 DBED COC1(C)CN(C(=O)C(=O)Nc2nn(C(C)C)cc2C#N)C1 440505201 NOXXXGLNMXMLOE-UHFFFAOYSA-N 305.338 0.521 30 20 DBED C=C(C)CN(C)C(=O)C(=O)N1CCN(CC(=O)NCC)CC1 459941805 JANMSBKFEWPPOD-UHFFFAOYSA-N 310.398 -0.699 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)c2ocnc2C)CC1 490778898 OBVLMXNVEDIEEK-UHFFFAOYSA-N 304.350 -0.120 30 20 DBED C#CCN1CCN(C(=O)CN2CCN(CC)C(=O)C2(C)C)CC1 491037581 FCHNHZRNYOPUDV-UHFFFAOYSA-N 320.437 -0.294 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)CCc2ccccn2)CC1 491440054 NECHSKHHCJPARX-UHFFFAOYSA-N 314.389 -0.092 30 20 DBED C#CCN(Cc1ccccc1)C(=O)C(=O)NCC(=O)N(C)C 491538301 XXWBUNJOAWQUTC-UHFFFAOYSA-N 301.346 -0.147 30 20 DBED C#C[C@@H](CC)NC(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1 491709750 XEUMVSFFEXVXOK-QMMMGPOBSA-N 313.335 -0.815 30 20 DBED C#CCN(C)CCCNC(=O)N1CCN(C)C[C@@H](C(=O)OC)C1 491735196 JSBBQCFHCKYKTF-CQSZACIVSA-N 324.425 -0.312 30 20 DBED N#Cc1ncn(CC(=O)NC[C@H](O)COc2ccccc2)n1 532865211 LTBDDBOQWJRYPY-NSHDSACASA-N 301.306 -0.294 30 20 DBED C[C@H](NS(=O)(=O)N1CCO[C@H](C#N)C1)[C@H]1CCCOC1 572137107 ZFNQAYFKRLZRFP-SDDRHHMPSA-N 303.384 -0.140 30 20 DBED N#Cc1ccc(OCC(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)cc1 572984526 GIIHRVALOBHUOW-VXGBXAGGSA-N 310.331 -0.789 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H]2CCC[C@H](N)C2)C1=O 574150689 KAZSIGHSVCSQFK-QWRGUYRKSA-N 322.365 -0.403 30 20 DBED Cc1cc(NCCNC(=O)[C@H](C)n2cnc(C#N)n2)n(C)n1 574923568 IBBZIJCTWQHEBC-JTQLQIEISA-N 302.342 -0.019 30 20 DBED CCN1CCC[C@H]1CN1C[C@@H](C(=O)NCC#CCO)CC1=O 577160202 LGDHYCKDUFTNRB-KBPBESRZSA-N 307.394 -0.569 30 20 DBED CC(C)NS(=O)(=O)N1CCN(c2ccnc(C#N)n2)CC1 577410875 DJNAVPHVXSPXBK-UHFFFAOYSA-N 310.383 -0.287 30 20 DBED N#CCC1(CS(=O)(=O)N[C@@H](CCC(=O)O)C(=O)O)CC1 580651614 RNSGLKMNECEREV-QMMMGPOBSA-N 304.324 -0.082 30 20 DBED N#Cc1cccc(C(=O)NCC(=O)NCCN2CCOCC2)n1 589837265 SJVFFPOVKKJCKQ-UHFFFAOYSA-N 317.349 -0.869 30 20 DBED C=CCOC[C@@H](NC(=O)[C@@H]1CCCS(=O)(=O)C1)C(=O)OC 593678654 RYPCFTUPSDSQHO-GHMZBOCLSA-N 319.379 -0.328 30 20 DBED CC(C)[C@@H](C#N)N1CCN(C(=O)[C@@H]2CC[C@H](C(N)=O)O2)CC1 599247584 FIGCVSSTZSXCCX-UPJWGTAASA-N 308.382 -0.288 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCCN2C)CC1 599389661 KAZURBRRJKDCJQ-AWEZNQCLSA-N 308.426 -0.083 30 20 DBED C=CCNC(=O)NC(=O)CN1CCN(Cc2cn[nH]c2)CC1 599440849 SWCWLJVQPUVQCD-UHFFFAOYSA-N 306.370 -0.461 30 20 DBED CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CCN(CCC#N)CC1 601497357 SYIJUKJVRSJJJZ-AWEZNQCLSA-N 321.425 -0.403 30 20 DBED CC(C)[C@H](C#N)N1CCN(C(=O)Cn2ncn(C)c2=O)CC1 611512693 DKGIMKNEQPQORZ-LBPRGKRZSA-N 306.370 -0.726 30 20 DBED C[C@@H](C#N)CNC(=O)N[C@H]1CCN(CCN2CCOCC2)C1 611624030 QHBNPOJZWIJAFU-KBPBESRZSA-N 309.414 -0.148 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@](F)(C#N)C2)C1=O 615596704 YJRSDOPSJYYIEM-ZDUSSCGKSA-N 308.269 -0.573 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(CN(C)CC(F)F)c1=O 728901536 QUQBDGDRHTUDJF-UHFFFAOYSA-N 316.308 -0.302 30 20 DBED CCS(=O)(=O)N1CCC[C@H](C(=O)N(CC#N)CC(=O)O)C1 737222587 DNHBHNBMFTZTMT-JTQLQIEISA-N 317.367 -0.515 30 20 DBED C#C[C@@H](CC)OC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 768054720 DPRXELQTDAQFKD-VIFPVBQESA-N 304.306 -0.611 30 20 DBED C[C@@H](C#N)COC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 770945507 WAMILQHQWYIIPC-QMMMGPOBSA-N 305.294 -0.863 30 20 DBED C#CCNC(=O)CN[C@@H](C)c1cccc(S(=O)(=O)NC)c1 775336883 XSYRBKVXIZYDSH-NSHDSACASA-N 309.391 -0.005 30 20 DBED C#CCOc1cccc(NC(=O)C(=O)N2C[C@H](O)C[C@H]2CO)c1 784853258 KBEOOSGVUISIEJ-QWHCGFSZSA-N 318.329 -0.409 30 20 DBED C#C[C@H](NC(=O)C(=O)NCC1(OC)CCOCC1)[C@H]1CCCO1 807060933 IGAPLQNNBMMUJE-QWHCGFSZSA-N 324.377 -0.405 30 20 DBED C#CCOCCNC(=O)N1CCC[C@@H]1C[C@]1(C)NC(=O)NC1=O 807107060 XTTZAAPHKCHKOZ-ABAIWWIYSA-N 322.365 -0.202 30 20 DBED C#CCONC(=O)CNS(=O)(=O)c1ccc(C(C)=O)cc1 812785991 WMTQOOMGKUSPPB-UHFFFAOYSA-N 310.331 -0.152 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@]3(CCCN3)C2)C1=O 818612174 OTHQBCKPDSPZFJ-HNNXBMFYSA-N 320.349 -0.682 30 20 DBED CC(C)NS(=O)(=O)CCNC(=O)[C@](C)(C#N)CC(=O)O 820029885 VRSXWCHBFJGFJU-NSHDSACASA-N 305.356 -0.565 30 20 DBED C[C@H]1CN(c2nccnc2C#N)CCN1CC(=O)NCC(=O)O 820251848 MUFRTZYMEJLWDL-JTQLQIEISA-N 318.337 -0.940 30 20 DBED C#Cc1cc(F)c(NC(=O)C(=O)NC(C)(CO)CO)c(F)c1 845963374 DHRUTDHWARFVPJ-UHFFFAOYSA-N 312.272 -0.256 30 20 DBED C#CC[C@H](CO)NS(=O)(=O)c1cnn(C)c1Br 882339231 BFEBKELWRBSGNY-SSDOTTSWSA-N 322.184 -0.155 30 20 DBED C#CC1(O)CN(C(=O)CNS(=O)(=O)c2ccccc2F)C1 890519317 KFGQCOHETMUBGP-UHFFFAOYSA-N 312.322 -0.690 30 20 DBED C#CC1(O)CN(CC(=O)N[C@H](Cc2ccccc2)C(C)=O)C1 934442846 DGWKDLNAKPNVCY-OAHLLOKOSA-N 300.358 -0.017 30 20 DBED O=C(N[C@@H]1CCN(C(=O)C#CC2CC2)C1)c1cncnc1O 941167311 FLDKMBLWMGUBRD-LLVKDONJSA-N 300.318 -0.074 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@H](O)C(C)C)C1 941238102 UKCXJKGFKIGMRB-QLFBSQMISA-N 321.421 -0.182 30 20 DBED C#CCCN1CC[C@@H](NC(=O)Cn2ccc(O)nc2=O)[C@@H](C)C1 942313320 HJXNSHKIBXOPGP-QWHCGFSZSA-N 318.377 -0.201 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H]1CNC(=O)c1cnn(C)c1N 944249485 OVGBRPFZCYLLFJ-VHSXEESVSA-N 304.354 -0.117 30 20 DBED C=CC(C)(C)C(=O)N1CCO[C@@H](CNC(=O)[C@H]2CCNC2=O)C1 944704701 SWCOCMDBDWLLBW-RYUDHWBXSA-N 323.393 -0.322 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)COC)C[C@H]1C 947130581 OXIYTNMJPSGKCX-MCIONIFRSA-N 307.394 -0.307 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CNC(=O)[C@@H]2CC(=O)N(C)C2)CC1 949390449 FYQNSZRJVHSSEV-WCQYABFASA-N 320.393 -0.021 30 20 DBED CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(C(=O)c2ccc(C#N)[nH]2)C1 954239594 DAKNAAPGSOHIMQ-ZYHUDNBSSA-N 317.305 -0.166 30 20 DBED C#Cc1cncc(C(=O)N[C@H]2CCN(C(=O)C(N)=O)[C@@H](C)C2)c1 955808805 KPVCTWNMKSPRBJ-GWCFXTLKSA-N 314.345 -0.343 30 20 DBED CC#CCN1C[C@H](O)[C@H](CNC(=O)c2cnc3[nH]nnc3c2)C1 958149424 SDFZTBPMFGKIHJ-YPMHNXCESA-N 314.349 -0.601 30 20 DBED N#Cc1ccc(CN2C[C@H]3[C@H](NC(=O)Cn4cnnn4)[C@H]3C2)cc1 958181705 PMQIIUJZAJOSGP-FOLVSLTJSA-N 323.360 -0.209 30 20 DBED CC#CCN1C[C@@H](O)[C@@H](CNC(=O)c2nccn3ccnc23)C1 958419161 YOWGFEFIDIHAIP-QWHCGFSZSA-N 313.361 -0.225 30 20 DBED N#Cc1c[nH]c(C(=O)NC2[C@@H]3CN(CC(=O)NC4CC4)C[C@@H]23)c1 958501307 ZEYTWYXSOQWIPV-VXGBXAGGSA-N 313.361 -0.175 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H]2CN(C(=O)Cn3cccn3)C[C@@H]21 960879284 ATTLESNEPZEEPF-FRRDWIJNSA-N 317.349 -0.519 30 20 DBED Cn1nnnc1CNCC1CC(NC(=O)c2ccc(C#N)[nH]2)C1 961729279 UFXDFMXFTDOEPW-UHFFFAOYSA-N 314.353 -0.292 30 20 DBED N#Cc1cc(C(=O)N2C[C@H](O)[C@H](NC(=O)c3cocn3)C2)c[nH]1 961878386 YFGGCMAEHPKNCZ-PWSUYJOCSA-N 315.289 -0.510 30 20 DBED CCN(C(=O)[C@H]1CC(=O)N(C)C1)C1CN(C(=O)[C@H](C)C#N)C1 968047459 RBGNFEQCRHNYBA-MNOVXSKESA-N 306.366 -0.316 30 20 DBED CN(CC#N)[C@H]1CCN(C(=O)[C@@H](Cn2cccn2)N(C)C)C1 971679442 UCUSUKYDTLSVEI-UONOGXRCSA-N 304.398 -0.130 30 20 DBED COc1c(O)nc(O)nc1C(=O)N1C[C@H]2CC[C@H]1CN2CC#N 972013474 RACLIROWSFMVSX-BDAKNGLRSA-N 319.321 -0.291 30 20 DBED CCn1cc(CC(=O)N2CC[C@]3(CN(CC#N)CCO3)C2)nn1 972479613 XDNFAICHFXSSHN-HNNXBMFYSA-N 318.381 -0.333 30 20 DBED C=CCCN1CCO[C@]2(CCN(C(=O)[C@H]3CNC(=O)N3)C2)C1 972526425 JQHHUFIURUQGPK-IUODEOHRSA-N 308.382 -0.453 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)[C@@H]3CN(C)CCO3)[C@H]2C1 976311184 NFIVUPONNIASPL-IEECTRCBSA-N 306.366 -0.950 30 20 DBED CC1(C)CN(CC#N)C[C@H]1NC(=O)CN1C(=O)NC(=O)C1(C)C 977420767 PGOFIQBJSMQRMG-SNVBAGLBSA-N 321.381 -0.333 30 20 DBED CN1CCO[C@H](C(=O)N2CC(NC(=O)c3cc(C#N)c[nH]3)C2)C1 990695161 JOXYRQMATKCKID-ZDUSSCGKSA-N 317.349 -0.842 30 20 DBED N#Cc1ccc(C(=O)NC2CN(C(=O)C34CCN(CC3)C4)C2)[nH]1 990888254 RVFABGHQPAQJTJ-UHFFFAOYSA-N 313.361 -0.077 30 20 DBED C#CCOc1ncccc1C(=O)N[C@@H]1CCN(C(C)=O)C[C@@H]1O 991638295 LYDRYSTZWOHNRN-KGLIPLIRSA-N 317.345 -0.195 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)[C@H]3CCC(=O)N3)C2)nc1 997087229 FSSLUKRDJZXZNI-CYBMUJFWSA-N 312.329 -0.718 30 20 DBED CC[C@@H]1CCCN1C(=O)C(=O)NC1CN(C(=O)[C@@H](C)C#N)C1 999716989 DSROZNJTCZQCRS-CMPLNLGQSA-N 306.366 -0.126 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(CCCN(C(=O)C(N)=O)C2)C1 1010876544 JLBQQIDCYSBERW-NEPJUHHUSA-N 321.377 -0.486 30 20 DBED C[C@@H]1[C@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)CC(N)=O 1011591680 PNFCQWYVHYHJLX-LDYMZIIASA-N 303.322 -0.519 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)C(N)=O)[C@@H]2C)cn1 1011938152 PRXCBLLHNIXTKQ-CABZTGNLSA-N 300.318 -0.733 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2C[C@@H](C)N(C(=O)C(N)=O)C2)nc1 1013966035 JLOHEGADYISYSZ-MWLCHTKSSA-N 300.318 -0.733 30 20 DBED N#CCN1CC[C@H](NC(=O)CN2CCCCS2(=O)=O)C1 1015288187 CRRGCSIFJUWHBA-NSHDSACASA-N 300.384 -0.874 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2CC[C@H](NC(=O)C(N)=O)C2)cn1 1015551974 NLRJKQSENPBVIF-MFKMUULPSA-N 314.345 -0.437 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CCN(CC(=O)N(C)C)C2)cn1 1016031113 NMKIXXJGCPAHPX-CQSZACIVSA-N 300.362 -0.045 30 20 DBED C=CCN1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnc(O)n(C)c1=O 1017789181 IGTCKLWIHNKJIQ-PHIMTYICSA-N 304.350 -0.039 30 20 DBED C=CCN1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1nc(C)n(C)c1=O 1018227913 QBNZDOLAEBBGRO-BETUJISGSA-N 305.382 -0.249 30 20 DBED C[C@@H]1CCN(C(=O)C(N)=O)C[C@H]1CNC(=O)c1cc(C#N)c[nH]1 1018620841 YSDRYQNIRBGXPM-MWLCHTKSSA-N 317.349 -0.414 30 20 DBED NC(=O)C1(C(=O)N2C[C@@H]3CCN(C(=O)C#CC4CC4)[C@@H]3C2)CC1 1021591920 YTBDGKMMPMLWKH-QWHCGFSZSA-N 315.373 -0.275 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCOC3)C[C@H]2O)c1 1023326871 CEXPQSKECQIZDB-RAIGVLPGSA-N 318.333 -0.776 30 20 DBED C=CCCn1cc(C(=O)NC[C@H]2CCCN(CC(N)=O)C2)nn1 1023639947 RUUJJKIQJHOJKE-GFCCVEGCSA-N 320.397 -0.219 30 20 DBED C=CCN1CC[C@H](NC[C@@H]2CCCN(C(=O)C(N)=O)C2)C1=O 1024126124 CVXSROVVYWACTD-RYUDHWBXSA-N 308.382 -0.913 30 20 DBED C=C1CC(C)(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)C1 1025692784 FEMYSWJZDRRQRY-WRWGMCAJSA-N 321.377 -0.848 30 20 DBED C=CCN1CC[C@H](N(C)[C@H]2CCCN(C(=O)CC(N)=O)C2)C1=O 1027340203 BKQUJWVWVQCSQI-STQMWFEESA-N 322.409 -0.429 30 20 DBED C#CCN1CCC[C@@H]1CNC(=O)c1cn(CC(=O)N(C)C)nn1 1028335187 PHKZHGFAKIBUBC-GFCCVEGCSA-N 318.381 -0.806 30 20 DBED C[C@H](NCc1nc(=O)n(C)[nH]1)C1CCN(C(=O)[C@H](C)C#N)CC1 1029068632 JHLWFMKZIGBMIS-MNOVXSKESA-N 320.397 -0.015 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1CCCN([C@@H](C)C(=O)NC)C1 1030031485 QXUWOULZFDMJDN-KKUMJFAQSA-N 320.437 -0.201 30 20 DBED C#Cc1ccc(C(=O)NC2CN([C@H](C)c3nnnn3C)C2)nc1 1031278275 JSGSKSRZOFNYIF-SNVBAGLBSA-N 311.349 -0.238 30 20 DBED C=C(Cl)CN1CC[C@H](N(C)C(=O)[C@H]2CCS(=O)(=O)N2)C1 1033671965 RQRMGWMRPWLXJB-WDEREUQCSA-N 321.830 -0.037 30 20 DBED C#CCN1CCCC[C@H](NC(=O)C2CC3(C2)NC(=O)NC3=O)C1 1034436177 PEIRYNPORWXZIH-BGMSHATGSA-N 318.377 -0.422 30 20 DBED C#CCN[C@@H]1CCN(C(=O)c2cn(C)c(=O)nc2O)C[C@H]1C 1036292513 RWGFGBLIBCTTBY-ZYHUDNBSSA-N 304.350 -0.441 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2CCN2[C@H](CC)C(N)=O)nn1 1038793082 ZOGRPXLPDVNMFQ-ZYHUDNBSSA-N 306.370 -0.468 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@]1(O)CCN(C(=O)c2ncc[nH]2)C1 1039580596 WZHPNIAXZKHYEB-LSDHHAIUSA-N 322.365 -0.570 30 20 DBED O=C(C#CC1CC1)NC[C@]1(O)CCN(C(=O)c2cocn2)C1 1039678510 XXFYIEYYNAHSEV-OAHLLOKOSA-N 303.318 -0.219 30 20 DBED C=CC(C)(C)C(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2CCC(=O)N2)C1 1040487947 HHQNLLNBBGKQJO-ZBEGNZNMSA-N 323.393 -0.443 30 20 DBED C=CCCCC(=O)NC[C@@]1(O)CCN(C(=O)[C@H]2CCC(=O)N2)C1 1040728066 WDFSVWYTSPOLEB-WBMJQRKESA-N 323.393 -0.299 30 20 DBED N#Cc1nccc(N2C[C@@H](O)[C@H](NC(=O)c3ccncn3)C2)n1 1041130275 IRABDOUXANLIKU-GHMZBOCLSA-N 311.305 -0.882 30 20 DBED Cc1cc(C(=O)NCC2(O)CN(C(=O)C#CC(C)C)C2)n[nH]1 1041727039 NUMNMHHWYLKDRK-UHFFFAOYSA-N 304.350 -0.319 30 20 DBED C#CCNC(=O)CC(=O)N1CC(O)(CNC(=O)/C(C)=C/CC)C1 1041788680 APGKXZBSTGTVGF-WUXMJOGZSA-N 321.377 -0.828 30 20 DBED C=CCN1CC[C@@]2(CCN(C(=O)[C@H]3CCS(=O)(=O)N3)C2)C1 1041835482 GTTYHOWSENBLQG-TZMCWYRMSA-N 313.423 -0.212 30 20 DBED C#CCCCCC(=O)NCC1(O)CN(C(=O)[C@H]2CCNC2=O)C1 1042661229 QHCYIBBBPBNGQU-LBPRGKRZSA-N 321.377 -0.994 30 20 DBED C=C[C@H](CC)CC(=O)N1CC(O)(CNC(=O)c2cnnn2C)C1 1042858286 YRPFAFNXDZAOPZ-LLVKDONJSA-N 321.381 -0.280 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)CCn2ccnc2)C1 1044137648 PBAGFLZRSSHZOY-UHFFFAOYSA-N 322.365 -0.835 30 20 DBED C=C[C@H](C)[C@H](C)C(=O)N1CC(O)(CNC(=O)c2cnon2)C1 1045197246 OUQFAWWALXDVPE-UWVGGRQHSA-N 308.338 -0.169 30 20 DBED C=C(C)CCC(=O)N1CC(O)(CNC(=O)c2cn(CC)nn2)C1 1045577984 NTTYWYPUNHSETP-UHFFFAOYSA-N 321.381 -0.043 30 20 DBED C=C1CC(C)(C(=O)NCC2(O)CN(C(=O)CNC(=O)CC)C2)C1 1046306527 IVIUALCDLLSDAE-UHFFFAOYSA-N 323.393 -0.442 30 20 DBED CC(C)C#CC(=O)N(C)[C@H]1CN(C(=O)c2cnn(C)c2)C[C@@H]1O 1048798948 PFJKNZCQYJUDNM-KBPBESRZSA-N 318.377 -0.277 30 20 DBED C#CCOCCC(=O)N(C)[C@H]1CN(C(=O)CCOC)C[C@@H]1O 1048847413 IYXSXQGMYZAAAJ-STQMWFEESA-N 312.366 -0.907 30 20 DBED Cc1nc(C(=O)N2C[C@@H]3CN(CC#N)C[C@@H]3C2)c(=O)[nH]c1C 1048884877 IRXPWYIDPBODSB-TXEJJXNPSA-N 301.350 -0.086 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C(C)(C)C(N)=O)C1 1048990179 MZOMXNLNPVQXJA-RYUDHWBXSA-N 323.393 -0.813 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H]([C@@H](C)NC(=O)CCOC)C1 1050492920 VTWSBQLGHMWADM-OLZOCXBDSA-N 323.393 -0.484 30 20 DBED N#CCN1CCOC[C@H]1CNC(=O)c1ccc(C(N)=O)s1 1051167516 VNJKQIHTUITPLH-SECBINFHSA-N 308.363 -0.199 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)Cn2cnnn2)C[C@H]1C 1051921671 LZSKWLOJIBXVIM-OLZOCXBDSA-N 318.381 -0.313 30 20 DBED C=CCN1CCN([C@H]2CCN(C(=O)C3CN(C(C)=O)C3)C2)CC1 1052018857 RSLOCWMCFULQOY-INIZCTEOSA-N 320.437 -0.131 30 20 DBED CNC(=O)CC(=O)N1C[C@@H](C)[C@@H](CNC(=O)C#CC2CC2)C1 1052434118 CLWHOYHOGRUDGL-YPMHNXCESA-N 305.378 -0.253 30 20 DBED N#CCN1CCC[C@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)CC1 1052946414 SFDWEJJMXBLFOI-QWRGUYRKSA-N 300.384 -0.828 30 20 DBED CC#CCN1CC2(CC[C@@H](CNC(=O)[C@H]3CN(C)C(=O)N3)O2)C1 1053642956 QAWRRHLGNNKNLH-QWHCGFSZSA-N 320.393 -0.617 30 20 DBED CN1C[C@H](C(=O)NC[C@@H]2CCC3(CN(CC#N)C3)O2)CCC1=O 1053701161 NPSIDWDZVIYBAR-OLZOCXBDSA-N 320.393 -0.272 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)c3cc(=O)c(OC)co3)CO2)C1 1053871314 CAPZQMUDKXHVIF-NSHDSACASA-N 318.329 -0.145 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)C[C@H]3CCC(=O)N3C)CO2)C1 1053889172 CMEZQOZIWFLJKZ-QWHCGFSZSA-N 305.378 -0.410 30 20 DBED C#CCN[C@H]1CN(C(=O)c2ccc(-n3cnnn3)cn2)C[C@@H]1C 1054931227 ZSHIZTSOTOECIP-FZMZJTMJSA-N 311.349 -0.259 30 20 DBED C=CCOCC(=O)N1C[C@@H]2CN(C(=O)CNC(=O)CC)C[C@@H]2C1 1055248358 IIEORPUWQHGCCC-BETUJISGSA-N 323.393 -0.368 30 20 DBED C=C(C)CCC(=O)N1C[C@H]2CN(C(=O)[C@@H]3CNC(=O)N3)C[C@H]2C1 1055361545 BHUIAICDUWNGCQ-XQQFMLRXSA-N 320.393 -0.059 30 20 DBED C[C@H](C#N)C(=O)NCCN1CCC(NC(=O)c2nc[nH]n2)CC1 1055631655 JQYBCRUZYULSIM-SNVBAGLBSA-N 319.369 -0.725 30 20 DBED N#Cc1ccc(N2C[C@H]3C(NC(=O)c4nccnc4N)[C@@H]3C2)nn1 1056154032 WADOVVNXUUUNHR-NXEZZACHSA-N 322.332 -0.415 30 20 DBED Cc1nc(CC(=O)NC2[C@@H]3CN(c4cncc(C#N)n4)C[C@@H]23)n[nH]1 1056204716 TVAQFUXRPLJHIK-GHMZBOCLSA-N 324.348 -0.432 30 20 DBED Cn1cncc1CC(=O)NC1[C@H]2CN(c3cnc(C#N)cn3)C[C@H]12 1056254875 SWUYXWRZTRCOHV-STQMWFEESA-N 323.360 -0.125 30 20 DBED N#Cc1cnc(N2C[C@H]3C(NC(=O)[C@@H]4[C@H]5COC[C@H]54)[C@@H]3C2)cn1 1056365303 KNVJYQAYUGZLSW-SSKLVLDBSA-N 311.345 -0.209 30 20 DBED CN1CCOC[C@H]1C(=O)N1CC[C@@H](Nc2ccc(C#N)nn2)C1 1056609194 OQCOCZDDCRFQJD-OLZOCXBDSA-N 316.365 -0.308 30 20 DBED Cn1cc(C(=O)N2CCCN(c3ccc(C#N)nn3)CC2)nn1 1057135773 FAASLRPMCPKJQR-UHFFFAOYSA-N 312.337 -0.171 30 20 DBED C=C[C@@](C)(O)CC(=O)N(CCO)CCNC(=O)c1ccncc1 1057450740 YCPJPBABZPHIRK-MRXNPFEDSA-N 321.377 -0.041 30 20 DBED C=CCO[C@H](C)C(=O)NCCN(CCO)C(=O)C#CC1CC1 1057537357 APICZUXFPGUNTF-CYBMUJFWSA-N 308.378 -0.072 30 20 DBED C=CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)c1nc(C)c[nH]1 1057709538 NBMWVBIWIXGVMU-LBPRGKRZSA-N 324.381 -0.140 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)Cc1ncccc1F 1058498830 HDVYAGLSTPKODU-LLVKDONJSA-N 322.340 -0.140 30 20 DBED C=CCO[C@H](C)C(=O)NCCN(CCO)C(=O)c1ccnnc1 1058938468 WWXDLARXKRNSCW-GFCCVEGCSA-N 322.365 -0.382 30 20 DBED N#Cc1nc(=N[C@H]2C[C@H](NC(=O)C[C@H]3CCNC3=O)C2)cc[nH]1 1059323945 CAYHRJJVOIHUCL-GMTAPVOTSA-N 314.349 -0.645 30 20 DBED N#Cc1nccnc1NC[C@H]1CCN(C(=O)Cc2nc[nH]n2)C1 1060918226 JNVHHYWNBZZNNX-SNVBAGLBSA-N 312.337 -0.031 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC2(CCN(C(=O)CC(N)=O)CC2)C1 1060989656 OLRNVACLEWTWKN-HNNXBMFYSA-N 323.393 -0.360 30 20 DBED CCC(=O)NCC(=O)NC[C@H]1COCCN1C(=O)[C@@H](C)C#N 1061430115 XYRFUWBYCZCSAK-QWRGUYRKSA-N 310.354 -0.984 30 20 DBED Cc1cn(C)nc1C(=O)N1CCOC[C@H]1CNC(=O)[C@@H](C)C#N 1061847909 NTCOKOBHISPFDX-CMPLNLGQSA-N 319.365 -0.155 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)c1cn(C)cn1 1061848924 WUAQHSTUVSHGLV-MNOVXSKESA-N 305.338 -0.463 30 20 DBED C=C[C@](C)(CC)C(=O)NC[C@@H]1COCCN1C(=O)CC(N)=O 1061866858 AYKLYZBCABJZAY-IAQYHMDHSA-N 311.382 -0.192 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@H]1CN(C(=O)C(F)F)CCO1 1064717886 WAPCHPIUFANQOC-NOZJJQNGSA-N 306.309 -0.078 30 20 DBED C=CCOCC(=O)N1CCO[C@@H](CNC(=O)c2cocn2)C1 1064976715 OOCTWMAICAYPLX-NSHDSACASA-N 309.322 -0.166 30 20 DBED Cc1nn(C)cc1C(=O)N1CCO[C@H](CNC(=O)[C@H](C)C#N)C1 1064986796 UIUOXWFRZLMVCT-ZYHUDNBSSA-N 319.365 -0.155 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CN(C(=O)CCCN(C)C)CCO1 1065536011 UBYOJTNVYCPUCT-STQMWFEESA-N 310.398 -0.169 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)Cc2ccnn2C)C1 1065556895 KWHOFDROLRECQC-AAEUAGOBSA-N 319.365 -0.534 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC[C@@H](NC(=O)CNC(C)=O)CC1 1065777378 VZGLLFCISLKXCG-GXTWGEPZSA-N 323.393 -0.342 30 20 DBED CN(CCCN(C)C(=O)Cn1cnnn1)C(=O)C#CC1CC1 1066783585 MPGFVXRNLNJDBV-UHFFFAOYSA-N 304.354 -0.607 30 20 DBED Cn1nncc1C(=O)NCC1[C@H]2CN(c3cncc(C#N)n3)C[C@H]12 1068172824 WWMPJJDHXXGSMH-VXGBXAGGSA-N 324.348 -0.411 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1COC2(C1)CN(C(=O)c1ccon1)C2 1069004082 SVKODTJTNLEYPW-ZJUUUORDSA-N 304.306 -0.066 30 20 DBED CN(C(=O)[C@@H]1COC(=O)N1)C1CC(N=c2cc[nH]c(C#N)n2)C1 1069735641 CRCYDUJFKDJXDX-RTBKNWGFSA-N 316.321 -0.720 30 20 DBED CN1CCC[C@H]1C(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1 1069902071 GPCHWJILWOXRCS-AGIUHOORSA-N 303.370 -0.763 30 20 DBED C=CCN1C[C@H]2C[C@H]3CN(C(=O)Cn4ncnn4)C[C@@]3(C1)O2 1070798552 UYOVKFRPELZPAB-OUCADQQQSA-N 304.354 -0.839 30 20 DBED C#CCCN1CCNC(=O)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1070963501 USTOGCCYYCVIAQ-CHWSQXEVSA-N 322.365 -0.675 30 20 DBED C=CCCC(=O)N1C[C@H](C)[C@@H](NC(=O)CN2C(=O)CNC2=O)C1 1071785997 XTNBHJILHHPEJV-QWRGUYRKSA-N 322.365 -0.533 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CCN(C(=O)CC(N)=O)CC1(C)C 1073393607 MLGSOVCUKWTXRT-NWDGAFQWSA-N 323.393 -0.357 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CCN(C(=O)CNC(N)=O)CC1(C)C 1073483618 ZIIZSMHCIMZUMQ-ZJUUUORDSA-N 309.370 -0.442 30 20 DBED C=C(C)CN1CCCO[C@H](CNC(=O)C2CS(=O)(=O)C2)C1 1073620919 RGDGESITVUTPRJ-CYBMUJFWSA-N 316.423 -0.186 30 20 DBED CC(=O)N1CC(C(=O)N2CC[C@H]3OCCN(CC#N)[C@H]3C2)C1 1074225357 DWPFYRRIZFYMOP-UONOGXRCSA-N 306.366 -0.710 30 20 DBED CCN(CC)CC(=O)NCC1(O)CCN(C(=O)[C@H](C)C#N)CC1 1074704636 FFWQRFOYCMGHON-CYBMUJFWSA-N 324.425 -0.042 30 20 DBED Cc1n[nH]cc1C(=O)NCC1(O)CCN(C(=O)[C@@H](C)C#N)CC1 1074707384 ZDHHVJBONGCIKU-JTQLQIEISA-N 319.365 -0.039 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CCN(C(=O)CCOC)[C@H](C)C1 1074940562 AJJRDCUMVVRNJM-OLZOCXBDSA-N 323.393 -0.342 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3nc[nH]c3C2)C1 1077963980 ODMBZLAOBKQVOL-NILFDRSVSA-N 302.378 -0.301 30 20 DBED C#CCN[C@H]1C[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)C12CCC2 1078797189 HLEYPTKJPVCBIQ-QWHCGFSZSA-N 317.393 -0.460 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(N(CC)C(=O)Cn2nccn2)C1 1079847001 MKCUQYNXLDSOOC-HNNXBMFYSA-N 321.381 -0.336 30 20 DBED CSCC(=O)NC[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1O 1081238241 ZYKGYCJCYUPQQP-JOYOIKCWSA-N 322.390 -0.202 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CCCC)C1 1081270828 MSDPPIFEGTXYQQ-QWHCGFSZSA-N 323.393 -0.748 30 20 DBED C=CCCC(=O)N1C[C@H](CNC(=O)c2ncn(C)n2)[C@@H](O)C1 1081456462 ZPHCCSOJERCPKN-QWRGUYRKSA-N 307.354 -0.670 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(C(=O)Cc2ccc[nH]2)C[C@H]1O 1081475151 XRFHIASGSSBIEJ-UKRRQHHQSA-N 315.373 -0.094 30 20 DBED C#CCOCCC(=O)NC[C@H]1CN(C(=O)c2ccco2)C[C@H]1O 1081485335 HCXQYSKYXQIWEB-QWHCGFSZSA-N 320.345 -0.131 30 20 DBED C=CCC(C)(C)C(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cnn[nH]2)C1 1081589392 DTAJATQVCMLUBX-CMPLNLGQSA-N 321.381 -0.044 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cnn(C)n2)C1 1081600429 GAJSSJKZWQFRAC-PWSUYJOCSA-N 307.354 -0.670 30 20 DBED C=C1CC(C)(C(=O)NC[C@@H]2CN(C(=O)CNC(C)=O)C[C@@H]2O)C1 1081752342 IBJUKHJJHCTQJC-OLZOCXBDSA-N 323.393 -0.586 30 20 DBED C=CCN1CC[C@@H](N[C@@H]2CN(C(=O)c3cnon3)C[C@H]2C)C1=O 1082816919 HEKFYNNUZLXSQF-NQBHXWOUSA-N 319.365 -0.093 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CN(CC(=C)Cl)C[C@@H]2O)nn1 1083843568 NTUIAIAJMHFRIL-PWSUYJOCSA-N 311.773 -0.009 30 20 DBED C[C@@H](C[C@H](C)NC(=O)c1ncn(C)n1)N=c1cc[nH]c(C#N)n1 1089290887 KGMBQBKUFDILDQ-UWVGGRQHSA-N 314.353 -0.092 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2cc(OC)n(C)n2)[C@H](O)C1 1090422441 KWAIXHDFHZGYEJ-WCQYABFASA-N 306.366 -0.383 30 20 DBED C=CCN1CC[C@H](NC(=O)C2CCS(=O)(=O)CC2)[C@H](O)C1 1090610550 SIHDLUQEVZMTQL-QWHCGFSZSA-N 316.423 -0.451 30 20 DBED N#CCN1CC[C@H](NC(=O)C2(N3CCOCC3)CCC2)[C@@H](O)C1 1090686834 QCMCZEDTBLKADJ-KBPBESRZSA-N 322.409 -0.684 30 20 DBED N#CCNC1CC(CNC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 1091026023 DGPSOOVSIBDNEW-MOENNCHZSA-N 316.365 -0.229 30 20 DBED C#CCNC1CC(CNC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1 1091232414 NZLWOSSIGYPZKL-PQAZSJQKSA-N 307.394 -0.260 30 20 DBED CNC(=O)CC(=O)NC1[C@H]2CN(c3nc(C)ccc3C#N)C[C@H]12 1093242364 UACZMBRHSOBZDW-RYUDHWBXSA-N 313.361 -0.051 30 20 DBED CC(C)[C@@H]1N(C(=O)c2cnn[nH]2)C[C@]12C[C@@H](O)[C@H](NCC#N)C2 1093460230 YLDKGUMGIOWSES-PBOSXPJTSA-N 318.381 -0.092 30 20 DBED N#CCN1CC(OC2CCN(C(=O)[C@H]3CCC(=O)N3)CC2)C1 1093516149 INDRYZLNZHAVOO-CYBMUJFWSA-N 306.366 -0.520 30 20 DBED N#Cc1cccnc1NCCNC(=O)CN1C(=O)CNC1=O 1093622190 NBJYPSTWABRBMZ-UHFFFAOYSA-N 302.294 -0.967 30 20 DBED Cc1cc(C#N)nc(NCCNC(=O)[C@H]2CN(C)C(=O)N2)n1 1094060573 JPIMLCPZCMRTAI-SNVBAGLBSA-N 303.326 -0.792 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)c3cnn(C)c3)CC2=O)C1 1094701049 NAJVEFSODTVYCK-LBPRGKRZSA-N 303.366 -0.379 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)c3coc(OC)n3)CC2=O)C1 1094767256 XTGRMRBKXKFUIX-JTQLQIEISA-N 320.349 -0.116 30 20 DBED N#Cc1cncc(NC2CCN(C(=O)CCNC(N)=O)CC2)n1 1095228731 UALGVEMMSFPKPM-UHFFFAOYSA-N 317.353 -0.190 30 20 DBED CN(CCCNC(=O)[C@H]1COCCO1)c1ccnc(C#N)n1 1095490171 UFUHJRQUWAALQY-LLVKDONJSA-N 305.338 -0.294 30 20 DBED C=C(C)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cn1ncn(C)c1=O 1095649417 VVXNWVNICMIPAU-AGIUHOORSA-N 305.382 -0.121 30 20 DBED CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCCN(c2cncc(C#N)n2)C1 1096134796 OWYKUSLYFYQSIT-CMPLNLGQSA-N 316.365 -0.042 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CCCN(c2nccn3nnnc23)C1 1096153192 WTXVWNNUXLYDAN-UWVGGRQHSA-N 300.326 -0.236 30 20 DBED CC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1CC(=O)NC1=O 1098055505 DMCOFBUWJROBRS-UTUOFQBUSA-N 304.350 -0.717 30 20 DBED C[C@H]1CN(C(=O)[C@@H](C)C#N)CC2(CCN(CC(N)=O)CC2)O1 1098574026 FAUYVEGJSCMJGI-RYUDHWBXSA-N 308.382 -0.287 30 20 DBED C#CCNCc1cn([C@@H]2CCN(C(=O)[C@@H](C)OCC#C)C2)nn1 1098673936 WIEHHNPNKOOBFV-UKRRQHHQSA-N 315.377 -0.187 30 20 DBED C#CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cn(C)c(=O)n2C)C1 1099178379 OHHDQTCVVOJHFL-LRDDRELGSA-N 302.378 -0.059 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(Cc2ncccn2)C[C@@H]1O 1099741463 UJMCLLHKPHBFFQ-OLZOCXBDSA-N 306.366 -0.269 30 20 DBED C#CCCCC(=O)N[C@H]1CCN(Cc2n[nH]c(C)n2)C[C@H]1O 1099804910 UCQVGZBXXFWECN-QWHCGFSZSA-N 305.382 -0.032 30 20 DBED COCC#CCN1CC[C@H](NC(=O)Cc2cnc(C)o2)[C@@H](O)C1 1099869663 SLQOBPGALRZBRR-GJZGRUSLSA-N 321.377 -0.273 30 20 DBED COCC#CCN1CC[C@H](NC(=O)CCc2cnc[nH]2)[C@H](O)C1 1099871739 JROLTKPSISSAOM-LSDHHAIUSA-N 320.393 -0.457 30 20 DBED Cc1cc(C#N)nc(N(C)CCNC(=O)[C@H]2COCCO2)n1 1099945212 XHLSRWWMPYBEHM-GFCCVEGCSA-N 305.338 -0.376 30 20 DBED CN(CCNc1cnc(C#N)cn1)C(=O)[C@@]1(C)CNC(=O)C1 1101877361 VTOUQCNRVYTGNQ-CQSZACIVSA-N 302.338 -0.255 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H]1CN(CC(=O)N2CCC2)C[C@H]1C 1101958379 CLSBMYQUEVCWCT-QLFBSQMISA-N 321.421 -0.059 30 20 DBED CN(C(=O)CNC(N)=O)[C@H]1CCN(c2ccncc2C#N)C1 1102668051 CNORMGSVLKZFFZ-NSHDSACASA-N 302.338 -0.341 30 20 DBED CC[C@H](CNC(=O)[C@H]1CCNC1=O)Nc1cnc(C#N)cn1 1103259733 RRCBDZVZUSVCSP-KOLCDFICSA-N 302.338 -0.209 30 20 DBED C#CCNC(=O)[C@H](C)NCC[C@@H]1CN(C(=O)COC)C[C@H]1C 1103794515 TYNHMFSZDLANOB-HZSPNIEDSA-N 309.410 -0.155 30 20 DBED CC(=O)N1CC(C(=O)NC[C@H](C)CNc2nccnc2C#N)C1 1103941271 JXJMCUOPCWJVMJ-SNVBAGLBSA-N 316.365 -0.009 30 20 DBED C[C@H](CNc1cnc(C#N)cn1)N(C)C(=O)Cn1cnnc1O 1104526514 JDXUTRXAKYIWKX-SECBINFHSA-N 316.325 -0.396 30 20 DBED CN(CCN(C)c1ccnc(C#N)n1)C(=O)[C@@H]1COC(=O)N1 1105393114 JWNCCEUTWBMFRX-VIFPVBQESA-N 304.310 -0.649 30 20 DBED C#CCCCC(=O)NC[C@@H](O)CNc1ccc2nnnn2n1 1105798579 GTXSMWZZOVYANE-JTQLQIEISA-N 303.326 -0.788 30 20 DBED N#Cc1nccnc1NC[C@@H](O)CNC(=O)Cc1ccc[nH]1 1105863952 WIRICJZBGPJLIX-NSHDSACASA-N 300.322 -0.192 30 20 DBED CNC(=O)C1(C(=O)NC[C@@H](O)CNc2ncccc2C#N)CC1 1105895081 BHUSTMSVZLMPAQ-NSHDSACASA-N 317.349 -0.632 30 20 DBED Cc1noc(C(=O)NC[C@@H](O)CN=c2cc[nH]c(C#N)n2)c1C 1106006648 BGJUXVUNIGYGHZ-JTQLQIEISA-N 316.321 -0.422 30 20 DBED N#Cc1c(F)cccc1NC[C@@H](O)CNC(=O)[C@@H]1CCNC1=O 1106052303 XQVURARHMWMCKL-NXEZZACHSA-N 320.324 -0.278 30 20 DBED CN(C)CCC(=O)NC[C@@H](O)CNc1ncc(C#N)cc1F 1106085136 OPWZHCFZPQYDER-LLVKDONJSA-N 309.345 -0.067 30 20 DBED C[C@H](CCNc1cncc(C#N)n1)NC(=O)[C@@H]1COCCN1C 1106277554 IPRLIXWKBGHKFE-YPMHNXCESA-N 318.381 -0.014 30 20 DBED CC(C)C(=O)NCc1cn(C2CN(CC(=O)NCC#N)C2)nn1 1107125925 GEZNZXGTNHNKBP-UHFFFAOYSA-N 319.369 -0.953 30 20 DBED C[C@@H](C(=O)NC/C=C\CN=c1cc[nH]c(C#N)n1)S(C)(=O)=O 1107576878 QZYVMGJRWADXNA-XOULXFPDSA-N 323.378 -0.712 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)CO[C@@H]1CCOC1 1107950331 GAJOBZXAERIMBE-GHMZBOCLSA-N 305.338 -0.508 30 20 DBED C[C@H](CC(=O)N[C@H](C)CN=c1cc[nH]c(C#N)n1)NC(N)=O 1107950722 SXVLPODZLYDDHM-RKDXNWHRSA-N 305.342 -0.866 30 20 DBED C=CCO[C@@H](C)C(=O)NC[C@@]1(C)CN(CC(=O)NC)CCO1 1108432191 DOQMBFBQHGQFLE-WFASDCNBSA-N 313.398 -0.469 30 20 DBED C=CCCC(=O)N[C@H]1CC(=O)N(C2CN(CC(=O)NC)C2)C1 1108519746 IPHFFCGQHSEAOB-NSHDSACASA-N 308.382 -0.900 30 20 DBED C=CCOCCN1CC(N2C[C@H](NC(=O)[C@@H](C)C#N)CC2=O)C1 1108528297 VLOCIZZVJYNRQP-QWHCGFSZSA-N 320.393 -0.250 30 20 DBED C[C@H](CN(C)c1ccc(C#N)nn1)NC(=O)CC(=O)N(C)C 1109263477 IDLQXTGBOXZYHJ-SNVBAGLBSA-N 304.354 -0.233 30 20 DBED N#Cc1cccnc1N1C[C@H]2C[C@H]1[C@@H]2NC(=O)CNC(N)=O 1109679796 NJSPCAWZRLNHND-JFGNBEQYSA-N 300.322 -0.685 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H](COC)OC 1109695672 DGJJDZCVLVCZDZ-RFGFWPKPSA-N 323.393 -0.881 30 20 DBED C=CCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NC(N)=O 1110179185 ZXJBODGTGQKAKT-WOPDTQHZSA-N 324.381 -0.505 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCOCCO 1110547228 FKCSYTNRVUHFTN-TUVASFSCSA-N 310.394 -0.245 30 20 DBED N#Cc1nccc(N2CC[C@](O)(CNC(=O)[C@@H]3CCOC3)C2)n1 1111044190 UADTWCDQAGYAAF-ABAIWWIYSA-N 317.349 -0.558 30 20 DBED COc1ccnc(N2CC[C@@](O)(CNC(=O)C#CC3CC3)C2)n1 1111069332 OCVCTHCDPIXOFO-MRXNPFEDSA-N 316.361 -0.044 30 20 DBED C#CCO[C@H](C)C(=O)N(CCO)CCNc1nccnc1C#N 1111510709 HVJMQRCOXJYHPK-GFCCVEGCSA-N 317.349 -0.381 30 20 DBED COC[C@H](OC)C(=O)N(CCO)CCN=c1cc[nH]cc1C#N 1111556982 CEYZTGRCAOWPHI-AWEZNQCLSA-N 322.365 -0.731 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)CNC(=O)OC)CC1 1112652323 GFFYEOOPFCFVCK-LLVKDONJSA-N 312.370 -0.823 30 20 DBED Cc1ccc(C#N)c(N2C[C@H](O)[C@H](CNC(=O)CC(N)=O)C2)n1 1112723300 UMPIMMIFYIZWKR-NEPJUHHUSA-N 317.349 -0.950 30 20 DBED C#CCNC(=O)CC(=O)N1CCN([C@@H](CCCC)C(N)=O)CC1 1112778984 ABUOIOMFVVFJPT-ZDUSSCGKSA-N 322.409 -0.686 30 20 DBED C=CCN(CC=C)C(=O)CN1CCN(C(=O)CC(=O)NC)CC1 1112791394 IMZJLWLGBZNGNY-UHFFFAOYSA-N 322.409 -0.533 30 20 DBED COCC#CCN1CCN(C(=O)CCNC(=O)[C@@H]2C[C@H]2C)CC1 1112910752 KGZWGLHIUZIQTI-HUUCEWRRSA-N 321.421 -0.057 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)[C@H](C)Nc1cnc(C#N)cn1 1112976161 PYXDKNKCVMOTNV-QWRGUYRKSA-N 314.349 -0.207 30 20 DBED C[C@H](NC(=O)Cn1cncn1)[C@H](C)Nc1cnc(C#N)cn1 1113030645 DWMWILQDZJPYLJ-UWVGGRQHSA-N 300.326 -0.055 30 20 DBED C[C@H](Nc1nccnc1C#N)[C@@H](C)NC(=O)Cn1cncn1 1113031051 KCZGXRQJYSSGGF-ZJUUUORDSA-N 300.326 -0.055 30 20 DBED C=CCCCN1CCN(C(=O)CN2CCN(C)C(=O)C2)CC1 1113047053 STDDWPNKPQDHKJ-UHFFFAOYSA-N 308.426 -0.129 30 20 DBED C=CCCCN1CCN(C(=O)CNS(=O)(=O)NC)CC1 1113156394 CKNGCMMZXOUPTF-UHFFFAOYSA-N 304.416 -0.849 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CN(C)C[C@H]2C)CC1 1113345905 JMVIDPOSMGXNRK-KGLIPLIRSA-N 306.410 -0.922 30 20 DBED CNC(=O)NCC(=O)N[C@@H](C)[C@@H](C)Nc1cnc(C#N)cn1 1113350433 UDWUUFGGAJHTJR-BDAKNGLRSA-N 305.342 -0.418 30 20 DBED C[C@@H](CNC(=O)[C@H]1CN(C)C(=O)N1)N(C)c1ccc(C#N)cn1 1113802134 IGYCYGVFPYCMJL-CMPLNLGQSA-N 316.365 -0.082 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)c3n[nH]cc3C)[C@@H]2C1 1114231432 AWTGMZAMHMAVPH-GHMZBOCLSA-N 303.366 -0.320 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)C[C@@H](C)NC(N)=O)[C@@H]2C1 1114277355 AMYDOKSZONOLPI-IJLUTSLNSA-N 308.382 -0.871 30 20 DBED COC[C@H](OC)C(=O)N[C@H]1C[C@H](CN=c2cc[nH]c(C#N)n2)C1 1114813947 YWEVGCKZCFRZFA-SRVKXCTJSA-N 319.365 -0.262 30 20 DBED C=CCOCCN1C[C@@H]2C(NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)[C@H]2C1 1114829511 YANKXUAIZLPFTG-ZDEQEGDKSA-N 323.393 -0.732 30 20 DBED C#CCN1C[C@@H]2C(NC(=O)C(C)(C)NC(=O)NCC=C)[C@H]2C1 1115296107 LRKMAMVLXNPIOC-RYUDHWBXSA-N 304.394 -0.070 30 20 DBED CN(C1CCOCC1)S(=O)(=O)NC1CCN(CC#N)CC1 1116115586 NZNJSDMHFHWKJO-UHFFFAOYSA-N 316.427 -0.080 30 20 DBED C[C@H](CS(C)(=O)=O)NC(=O)C(=O)N1CCC(C#N)CC1 1117380043 OUWPEVQYKYLKDZ-SECBINFHSA-N 301.368 -0.702 30 20 DBED C=C(C)CNC(=O)C(=O)Nc1nnn(Cc2noc(C)n2)c1C 1117711875 ORXZAUUFVROPLT-UHFFFAOYSA-N 319.325 -0.043 30 20 DBED Cc1noc([C@@H](C)NC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)n1 1118152975 RFAMRMOFGXSOSE-OQPBUACISA-N 307.310 -0.568 30 20 DBED C[C@@]1(O)CCCN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1 1118949293 YFOXALYIYIWZBA-XJKSGUPXSA-N 320.393 -0.441 30 20 DBED COCC#CCNC1CC2(C1)CC(NC(=O)CNC(C)=O)C2 1120545302 XBRQXQJLYDAVPN-UHFFFAOYSA-N 307.394 -0.211 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@@H](CO)N=c2cc[nH]c(C#N)n2)c1 1121266349 UCODVIRWVWJHQX-JTQLQIEISA-N 311.305 -0.827 30 20 DBED Cn1cnc(C(=O)NC[C@@H](CO)N=c2cc[nH]cc2C#N)c1 1121304375 WHLQFPJEMFVAGT-NSHDSACASA-N 300.322 -0.689 30 20 DBED N#Cc1cncc(N[C@H](CO)CNC(=O)Cc2cccnc2)n1 1121445820 DSTCDFMMMFQINY-ZDUSSCGKSA-N 312.333 -0.125 30 20 DBED CC[C@H](NC(C)=O)C(=O)NC[C@@H](CO)Nc1ccc(C#N)nc1 1122645233 YDRRPQPXCXUUKJ-KBPBESRZSA-N 319.365 -0.243 30 20 DBED C=CCn1cc(C(=O)NC[C@@H](CO)Nc2ccc(C)nn2)nn1 1122673240 KVZGHPVMOVCNSW-NSHDSACASA-N 317.353 -0.235 30 20 DBED C[C@H]1C[C@@H](N=c2cc[nH]cc2C#N)CN1C(=O)CCNC(N)=O 1123231787 NUHQFXSNYMQGGF-CMPLNLGQSA-N 316.365 -0.165 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CC[C@@H](CN=c2cc[nH]c(C#N)n2)C1 1123769663 JPQKOUMKCCRXAQ-GHMZBOCLSA-N 316.365 -0.397 30 20 DBED Cc1cc(=NC[C@@H](O)CN(C)C(=O)c2cn[nH]c2)c(C#N)c[nH]1 1124180501 URDCRDMXFOVBHZ-CYBMUJFWSA-N 314.349 -0.048 30 20 DBED CN(C[C@H](O)CNc1nccnc1C#N)C(=O)c1ncccn1 1124456475 WHPREFBQRUXWLN-SNVBAGLBSA-N 313.321 -0.317 30 20 DBED COCCOC[C@H](O)CNCCNC(=O)C#CC(C)(C)C 1126915565 FMCSKYPCQSLRRV-CYBMUJFWSA-N 300.399 -0.234 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)Cc2n[nH]c(C)n2)C1=O 1126920860 DAIQAIZBKGYVSF-NSHDSACASA-N 306.370 -0.852 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1126931838 BCZYTBWKTCLICB-GHMZBOCLSA-N 311.342 -0.880 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)Cc1cn(C)nc1C 1129601292 XWOMVIPWLZDXRP-GFCCVEGCSA-N 305.382 -0.885 30 20 DBED CO[C@H]1C[C@@H](c2n[nH]c(CNC(=O)[C@H](C)OC)n2)N(CC#N)C1 1130253945 XOBXXLWUZUKBLM-DCAQKATOSA-N 322.369 -0.259 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)Cc1cnoc1 1132761745 ABSYVWUKZFPALX-SNVBAGLBSA-N 323.353 -0.677 30 20 DBED COCC#CCNCCNC(=O)c1cc(C)c(C(N)=O)cn1 1134089901 CBBBYIMUKVGGTD-UHFFFAOYSA-N 304.350 -0.542 30 20 DBED N#CCNC(=O)CN1CCC2(C1)CN(C(=O)c1n[nH]cc1F)C2 1148235175 JZWXXERFIVBVDN-UHFFFAOYSA-N 320.328 -0.664 30 20 DBED C#CCNC(=O)CNCCNC(=O)CCCC(=O)NC(C)C 1148248999 DRGXUPHGKUHWPG-UHFFFAOYSA-N 310.398 -0.864 30 20 DBED C#Cc1ccccc1CC(=O)NCCNCCNS(C)(=O)=O 1149129485 DNUUNXUMMJCOLM-UHFFFAOYSA-N 323.418 -0.535 30 20 DBED COCCC1(NC(=O)Cn2cncn2)CCN(CC#N)CC1 1151406459 JQYPFSAGKOCGSA-UHFFFAOYSA-N 306.370 -0.211 30 20 DBED C=CCNC(=O)CN(CC)[C@H](C)CNC(=O)CCc1nc[nH]n1 1152627364 AUSBKPRJFKTSTB-GFCCVEGCSA-N 322.413 -0.134 30 20 DBED CCN(CCN1C(=O)CNC1=O)[C@H](C)CNC(=O)C#CC1CC1 1153281535 RYVXOIKDHLBHFX-GFCCVEGCSA-N 320.393 -0.222 30 20 DBED CCN(CC#N)[C@H](C)CNC(=O)[C@H]1C[C@H](OC)CN1C(C)=O 1154485401 WOUHAQJAMPYUCQ-KWCYVHTRSA-N 310.398 -0.028 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)CCc1ccn(C)n1 1159100750 WWKFTFBPJYZLEH-CYBMUJFWSA-N 319.409 -0.414 30 20 DBED C#CCCN1CC=C(CCNC(=O)Cn2c(O)nnc2O)CC1 1161779480 JILBHNKHVCRACH-UHFFFAOYSA-N 319.365 -0.149 30 20 DBED COCC1(CNC(=O)[C@H](C)C#N)CCN([C@H]2CCNC2=O)CC1 1162165945 RCDNCGIUBQHHNL-OLZOCXBDSA-N 322.409 -0.121 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@@H](C)NC(=O)C(C)(C)C 1163648047 DOWNDCKNUXDDDL-GFCCVEGCSA-N 324.425 -0.618 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)Cc1nonc1C 1169887336 NPJFXLALMFJECD-LLVKDONJSA-N 309.370 -0.293 30 20 DBED COCC#CCNCCCNC(=O)C1CCN(C(N)=O)CC1 1175689446 ZHDGTPZKHCYGCW-UHFFFAOYSA-N 310.398 -0.477 30 20 DBED CCOCC(=O)N1CC[C@@H]2OCCN(CC#CCOC)[C@H]2C1 1176901019 UWYIPJGISUJIGB-GJZGRUSLSA-N 310.394 -0.026 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2ccncn2)[C@H]1C 1179748843 MORFRIMPDGAHOI-RYUDHWBXSA-N 301.350 -0.581 30 20 DBED C#CCCCC(=O)N1CC[C@@H](NCCN2C(=O)CNC2=O)C1 1182214609 BVTQQXNPGDYLDW-GFCCVEGCSA-N 306.366 -0.468 30 20 DBED Cc1ccoc1CC(=O)N1CC[C@@H](NCC(=O)NCC#N)C1 1185567338 LXSURAOESJZCTJ-GFCCVEGCSA-N 304.350 -0.039 30 20 DBED C#CCCN[C@@H]1CCN(C(=O)CNS(=O)(=O)CCCC)C1 1187451820 YLMXOHCMAJHUDO-CYBMUJFWSA-N 315.439 -0.080 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 1189388391 FJGAQDJKNDRVNL-KGLIPLIRSA-N 308.426 -0.085 30 20 DBED C=CCOCC(=O)N[C@@H]1CN([C@@H](C)c2cnccn2)C[C@H]1O 1191772348 ZBAZECWVMDRZNM-IACUBPJLSA-N 306.366 -0.099 30 20 DBED CC#CCN1CCCN(C(=O)[C@@H](C)NS(C)(=O)=O)CC1 1197278640 XSWQFYHITOLHOP-GFCCVEGCSA-N 301.412 -0.518 30 20 DBED C=CCCCN1C[C@@H](O)[C@H](NC(=O)Cn2ccccc2=O)C1 1198514536 VBUCTYUMPRKIFK-ZIAGYGMSSA-N 305.378 -0.024 30 20 DBED C=CCCCN1C[C@@H](O)[C@H](NC(=O)c2cccnc2C(N)=O)C1 1198905007 TWOOSIROEATCEY-CHWSQXEVSA-N 318.377 -0.078 30 20 DBED C[C@H](NC[C@H]1CN(C(=O)CSCC#N)CCCO1)C(N)=O 1199913120 JCBMXQBFBPTHON-QWRGUYRKSA-N 314.411 -0.676 30 20 DBED C=C(C)CCNC[C@H]1CN(C(=O)Cn2ncnn2)CCCO1 1200520439 UXHVRSIHHKKDKU-ZDUSSCGKSA-N 308.386 -0.154 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2C)CCCO1 1201186641 KJAXWBWHQCOYER-KGLIPLIRSA-N 307.394 -0.162 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)CCn2cnnn2)CCCO1 1201713825 ZWZGEACJJIZUSK-CYBMUJFWSA-N 306.370 -0.706 30 20 DBED N#CCNCC1CCN(C(=O)Cn2ccc(O)nc2=O)CC1 1205636389 LXKSCRSYFHVGQT-UHFFFAOYSA-N 305.338 -0.699 30 20 DBED CC#CCNCC1CCN(C(=O)CN2CC(=O)NC2=O)CC1 1206616105 UIHWAVMXKPTDKO-UHFFFAOYSA-N 306.366 -0.610 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)c2ccc(O)nn2)C1 1207191700 JZVYMGGLOVFOCF-LLVKDONJSA-N 319.365 -0.321 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)Cc2nnc(C)o2)C1 1207972655 XOUDBLCDICTSIU-LBPRGKRZSA-N 321.381 -0.197 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@H]2CC2(F)F)C1 1207985936 BWXIFJPZDZCDAQ-NXEZZACHSA-N 300.309 -0.138 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CCCN(C(=O)Cn2nccn2)C1 1208231199 UHCWRWGJGXEHEV-QWHCGFSZSA-N 320.397 -0.451 30 20 DBED C=CCCCN1C[C@@H](NC(=O)c2cn(CC(N)=O)nn2)[C@H](C)C1 1211344017 XTEUTTJTNVSPDY-VXGBXAGGSA-N 320.397 -0.220 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)CNC(C)=O)C[C@H]1C 1214063309 GUJOUWMIELQJFP-NTZNESFSSA-N 310.398 -0.750 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)COCC2CC2)C[C@H]1C 1214206764 NEPTXWLROLDYOF-TZMCWYRMSA-N 307.394 -0.401 30 20 DBED Cc1nc(C(=O)N2C[C@@H](NCC(=O)NCC#N)[C@H](C)C2)co1 1214497635 QHDAELAJDIUMDB-MWLCHTKSSA-N 305.338 -0.327 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)c2coc(COC)n2)C1 1220644700 VOPHDCDGUKFKBP-YPMHNXCESA-N 323.349 -0.754 30 20 DBED CC(C)C#CC(=O)N1CC[C@H]2CCN(CC(=O)NC(N)=O)[C@H]2C1 1222652070 RQUPWUZYDAUWFW-OLZOCXBDSA-N 320.393 -0.237 30 20 DBED C#CCN1CC[C@@H]2CCN(C(=O)CCNC(=O)COC)C[C@@H]21 1222799088 FUINBOBGQYRABB-KGLIPLIRSA-N 307.394 -0.305 30 20 DBED CN1CCC[C@@H]1C(=O)NC1CCN(CC(=O)NCC#N)CC1 1226608888 YOSNIWLZSZSEIP-CYBMUJFWSA-N 307.398 -0.699 30 20 DBED C#CCN1CCS(=O)(=O)[C@@H](CCNC(=O)c2cnn(C)c2)C1 1230416670 ODLRIKUHIRGINK-ZDUSSCGKSA-N 324.406 -0.728 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2COCCN2CC)C1 1317302281 QAEXKPNPGZQLOR-KBPBESRZSA-N 324.425 -0.800 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@H](NC(=O)c2ccnc(O)c2)C1 1318245137 PNRAFYHWMBVYJQ-AAEUAGOBSA-N 316.361 -0.271 30 20 DBED C[C@@H](CS(C)(=O)=O)NC(=O)C(=O)NCC1(CC#N)CC1 1322763521 OKSRNSXAHSKGRI-VIFPVBQESA-N 301.368 -0.654 30 20 DBED C#CCCCCNC(=O)C(=O)N1CCC(NC(=O)COC)CC1 1323643017 ITOVURLIAKUXNL-UHFFFAOYSA-N 323.393 -0.340 30 20 DBED C=CCCCNC(=O)C(=O)N1CCc2nn(C)c(=O)cc2C1 1323678767 WJVQDKCBQBETNG-UHFFFAOYSA-N 304.350 -0.253 30 20 DBED C#C[C@@H](CC)NC(=O)C(=O)Nc1ccn(CC(=O)N(C)C)n1 1324551898 MHAUHNWZJLLICU-JTQLQIEISA-N 305.338 -0.562 30 20 DBED COCC#CC(=O)Nc1ccccc1C(=O)NCCC(N)=O 1328759214 NLTKPCZVKFGQMA-UHFFFAOYSA-N 303.318 -0.120 30 20 DBED CC(=O)N1CCN(CCNC(=O)[C@H](N)CCCCC#N)CC1 1329099277 HXMIXTJKINGKLZ-CQSZACIVSA-N 309.414 -0.322 30 20 DBED C[C@H]1CS(=O)(=O)CCN1C(=O)C(=O)Nc1cccc(C#N)n1 1329297692 DTUKOQPPLQJZQQ-VIFPVBQESA-N 322.346 -0.463 30 20 DBED C#Cc1cncc(C(=O)NN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C=C[C@H]3O2)c1 1329881254 JXZWIVUNGOCDNC-FDYHWXHSSA-N 309.281 -0.354 30 20 DBED CN1CCN(C(=O)C(=O)NCC2CCC(C#N)CC2)CC1=O 1332814462 KIEGGHYWPKYRTR-UHFFFAOYSA-N 306.366 -0.267 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N[C@@H]1CCCN(C)C1=O 1332869076 XOERIVOEYSKYAF-NWDGAFQWSA-N 309.366 -0.732 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1C[C@H]2CCC[C@H]2C1 1333546072 WSPWEPQRIGBXLU-TXEJJXNPSA-N 314.407 -0.038 30 20 DBED C=CCn1c([C@@H]2CNC(=O)C2)nnc1N1CCNC(=O)[C@H]1CC 1339609654 ONPIZPDZBGKDCJ-WDEREUQCSA-N 318.381 -0.218 30 20 DBED CC1(C)OCC(NC(=O)C(=O)N2CC[C@](O)(CC#N)C2)CO1 1349215116 PGEHFUJFDHZQJP-CQSZACIVSA-N 311.338 -0.869 30 20 DBED C=C(CC)CNC(=O)C(=O)N1CCN(S(=O)(=O)CC)CC1 1354528134 NBKVPHKMPJRKDI-UHFFFAOYSA-N 317.411 -0.437 30 20 DBED CC(C)C[C@@H](CNC(=O)Cn1cc(C#N)c(O)nc1=O)N(C)C 1362117566 IVRIGAHPKLRZHR-LBPRGKRZSA-N 321.381 -0.087 30 20 DBED CS(C)(=O)=NC(=O)[C@@H]1CCCN1C(=O)Cn1cnc(C#N)n1 1362982703 OLRSYHCEURJLOM-VIFPVBQESA-N 324.366 -0.605 30 20 DBED CCCN1C[C@H](CNS(=O)(=O)N(C)CCC#N)CC1=O 1363931049 WNMLMSYTHLOGOJ-NSHDSACASA-N 302.400 -0.075 30 20 DBED C[C@H](C#N)C(=O)NC[C@]1(C)CCN(C(=O)Cn2cnnn2)C1 1379799779 GVHPSSQWUIQYBU-MFKMUULPSA-N 305.342 -0.812 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@@H](CNC(=O)CN2CCOCC2=O)C1 1384506408 VOSXYEQVRCANAX-UTUOFQBUSA-N 322.365 -0.984 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CCCN(C(=O)CN2CCOCC2)C1 1387320613 HGMTWKKRLBRYOB-KBPBESRZSA-N 322.409 -0.072 30 20 DBED CCN(CCNC(=O)[C@H](C)C#N)C(=O)CN(C)S(C)(=O)=O 1388404836 CERNXEADBQHWPM-SNVBAGLBSA-N 318.399 -0.998 30 20 DBED C[C@H](CNC(=O)[C@H]1CCNC(=O)C1)NC(=O)c1cc(C#N)c[nH]1 1389163376 KUSWUXLTGPDGFS-KOLCDFICSA-N 317.349 -0.353 30 20 DBED CCN(CCNC(=O)[C@H](C)C#N)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 1398135704 LKIUNEWJJMCUJE-OUAUKWLOSA-N 310.354 -0.856 30 20 DBED CNC(=O)NC(=O)CN[C@H](C)CCNC(=O)c1cc(C#N)c[nH]1 1399304301 OFFNVFFIVUMWIV-SECBINFHSA-N 320.353 -0.560 30 20 DBED COCCN(CCNC(=O)CN1CCCC1=O)C(=O)[C@H](C)C#N 1405770072 IHXSZEZSFZJRFM-GFCCVEGCSA-N 324.381 -0.640 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(CCNC(=O)CC(C)(C)O)CC1 1407427703 JBJGTOVSDJFPDH-LBPRGKRZSA-N 310.398 -0.433 30 20 DBED CCN(CCC#N)S(=O)(=O)N[C@@H](C(N)=O)c1ccccn1 1413350359 DGCVODPGOFLCEB-LLVKDONJSA-N 311.367 -0.322 30 20 DBED N#Cc1cn(CCC(=O)NCCn2ccnc2)c(=O)nc1O 1417609596 JPNDSUJINHDNCQ-UHFFFAOYSA-N 302.294 -0.776 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](C1CC1)N(C)C(=O)c1cnnn1C 1424899357 AMMBZGCKRNLDDS-GXSJLCMTSA-N 304.354 -0.058 30 20 DBED COc1ncc(C(=O)N(C)C[C@H](O)CNC(=O)[C@H](C)C#N)cn1 1428248884 IZRVLELITBGFCF-MWLCHTKSSA-N 321.337 -0.806 30 20 DBED CCn1cc(CC(=O)N(C)C[C@@H](O)CNC(=O)[C@@H](C)C#N)cn1 1428271713 LAWSOAZFJISNHJ-AAEUAGOBSA-N 321.381 -0.459 30 20 DBED C[C@H](C#N)C(=O)NCCN(C)C(=O)c1cccc(C(N)=O)n1 1429456630 ZKXDTGGZZUEKPA-SECBINFHSA-N 303.322 -0.472 30 20 DBED CCN(CCNC(=O)[C@@H](C)C#N)C(=O)[C@H](C)NS(C)(=O)=O 1429683148 LXQSDUUACMGELP-UWVGGRQHSA-N 318.399 -0.952 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1nccc2[nH]ccc12 1433341990 XVYGNODWSSHDQW-NXEZZACHSA-N 315.333 -0.071 30 20 DBED CCc1nnc(N2CCO[C@@H](C#N)C2)n1Cc1nncn1C 1434653960 UJWMHNPAGDPWJN-JTQLQIEISA-N 302.342 -0.254 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C)C(=O)[C@@H](C)CN1CCOCC1 1455432281 IARHTBQPGKYHEP-STQMWFEESA-N 310.398 -0.311 30 20 DBED C[C@@H](C#N)C(=O)NC1(CN[C@H](C)C(=O)NC(N)=O)CCCC1 1481892208 OVFSVVQYQRZBQC-VHSXEESVSA-N 309.370 -0.252 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1n[nH]c2c1CCC2 1533299725 ONEWSHXEQZRJFP-RKDXNWHRSA-N 305.338 -0.735 30 20 DBED Cc1ccc(Cn2c(=O)c(C#N)cn(C)c2=O)cc1-c1nn[nH]n1 1581202189 MGOCYBPHDYUHQP-UHFFFAOYSA-N 323.316 -0.045 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N1CCC[C@@H]1CC(=O)O 1588390487 WCRHSDFSXVNHBK-NWDGAFQWSA-N 310.350 -0.003 30 20 DBED C#CC[C@@H](NC(=O)CNC(=O)c1ccc2c(c1)OCO2)C(=O)O 1588406197 ZGOZYZHXPHTOSH-SNVBAGLBSA-N 318.285 -0.262 30 20 DBED C=CC[C@@H]1NC(=O)N([C@@H]2CCCCN(CC(=O)O)C2=O)C1=O 1588457167 NSZQUIPMBYGSIB-VHSXEESVSA-N 309.322 -0.051 30 20 DBED C=CCCC[C@H](NC(=O)C1(CS(C)(=O)=O)COC1)C(=O)O 1588789339 BDHSAZNGAXMWDJ-JTQLQIEISA-N 319.379 -0.027 30 20 DBED C=CCCOCC(=O)NCC1CN(C(=O)[C@H]2C[C@H]2C(=O)O)C1 1588810573 YJRVFMZPPBXSNF-NWDGAFQWSA-N 310.350 -0.126 30 20 DBED CC(C)C#CC(=O)NCCOCCN(C)C(=O)[C@@H]1C[C@@H]1C(=O)O 1590928203 WOARPQOLHBWCTP-OLZOCXBDSA-N 324.377 -0.042 30 20 DBED COC[C@H](O)CNS(=O)(=O)c1ccc(C#N)cc1C(=O)O 1599277400 ISEMIKVKVZLLOO-SECBINFHSA-N 314.319 -0.458 30 20 DBED N#Cc1cccc(NC(=O)C(=O)N2CCC[C@H](O)[C@H]2C(=O)O)c1 1601122565 QAYFXFGIAAEENP-RYUDHWBXSA-N 317.301 -0.067 30 20 DBED C#CCN(CC(=O)O)S(=O)(=O)c1ccc(-n2cnnn2)cc1 1602699007 AUNMOLZMBZCATG-UHFFFAOYSA-N 321.318 -0.629 30 20 DBED CNC(=O)CNC(=S)NN=Cc1ccc(C(=O)O)s1 1604237161 YHGGCCNLURMPRW-UHFFFAOYSA-N 300.365 -0.010 30 20 DBED COC(=O)COCC(=O)Nc1ccc(-c2nn[nH]n2)c(C#N)c1 1604941477 ZWNKVIIJZHYFAT-UHFFFAOYSA-N 316.277 -0.134 30 20 DBED CN(CCN(C)c1ccc(C#N)nn1)C(=O)[C@H]1C[C@@H]1C(=O)O 1606126651 KHFXSNWUXINUSI-QWRGUYRKSA-N 303.322 -0.036 30 20 DBED N#CCC(=O)N1CCN(C(=O)CC[C@@H]2C[C@H](C(=O)O)CO2)CC1 1608179743 OADHGJLBNLPGDG-NWDGAFQWSA-N 323.349 -0.159 30 20 DBED N#Cc1ncn(CCNC(=O)c2cscc2-c2nn[nH]n2)n1 1609501151 DHGBZYPWZITDCV-UHFFFAOYSA-N 315.322 -0.179 30 20 DBED COC(=O)c1coc(CNS(=O)(=O)N(C)CCC#N)n1 1647254220 VOMCIMFKDCPNML-UHFFFAOYSA-N 302.312 -0.359 30 20 DBED COC(=O)[C@@H](O)CNC(=O)CCc1c(C)nn(CCC#N)c1C 1649738184 TXJZKTZOWKGPGL-ZDUSSCGKSA-N 322.365 -0.004 30 20 DBED C=CCCO[C@H](C)C(=O)N[C@H]1C[C@@H](NCc2nnn(C)n2)C1 1752714742 OWLHAAAGYYCFPZ-UTUOFQBUSA-N 308.386 -0.072 30 20 DBED N#CCNCCNC(=O)[C@@H]1CCCN(C(=O)c2cc[nH]n2)C1 1752923271 APTZXYOXRBEKPU-LLVKDONJSA-N 304.354 -0.509 30 20 DBED C#CCCN1CCN(CCN(C)C(=O)[C@@H]2CCC(=O)NC2)CC1 1753342771 XEAYTYHTRIZKPX-OAHLLOKOSA-N 320.437 -0.388 30 20 DBED CN(CC#N)C[C@@H]1CCN(C(=O)COCc2nncn2C)C1 1753360212 NNQKKMWZYOUEEW-LBPRGKRZSA-N 306.370 -0.364 30 20 DBED O=C(C#CC1CC1)NCC1CN(CC(=O)N2CCOCC2)C1 1753401860 UCOWARFYZITLBB-UHFFFAOYSA-N 305.378 -0.693 30 20 DBED C=C(C)CCN1CC(CNC(=O)CCNS(C)(=O)=O)C1 1753404859 VQGZWJVQSWPKAS-UHFFFAOYSA-N 303.428 -0.060 30 20 DBED C#CCNC(=O)CN1CC[C@H](N(C)C(=O)C[C@@H]2CCOC2)C1 1753431801 JOJLGMNISGLDAM-KBPBESRZSA-N 307.394 -0.305 30 20 DBED C=CCN1CC[C@@H](NC[C@@H](C)CNC(=O)Cc2nc[nH]n2)C1=O 1753638229 LNWGGCGTSSZAKJ-VXGBXAGGSA-N 320.397 -0.524 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@H](C)CNC(=O)c1[nH]cnc1C 1753646971 BKAGZZDZYUNSFP-JQWIXIFHSA-N 305.382 -0.188 30 20 DBED C[C@@H]1CN(C(=O)Cc2ccon2)CC[C@H]1NCC(=O)NCC#N 1753769333 PNGPRZDCUBQFLF-DGCLKSJQSA-N 319.365 -0.317 30 20 DBED C=CCNC(=O)CNCC[C@H](C)NC(=O)[C@]1(C)CCC(=O)N1 1753997592 ZFUYTUHKYJKFHJ-NHYWBVRUSA-N 310.398 -0.558 30 20 DBED C=CCNC(=O)[C@@H](C)NC[C@@H](C)NC(=O)c1ccc(OC)nn1 1754248118 NKLCEGOLBDXURM-GHMZBOCLSA-N 321.381 -0.116 30 20 DBED C=C(C)CN1CC[C@](O)(CNC(=O)[C@@H]2CCCS2(=O)=O)C1 1754762354 OBZZADLADLNBMJ-JSGCOSHPSA-N 316.423 -0.307 30 20 DBED CC(C)(C)N1C[C@H](C(=O)NCC2(O)CN(CC#N)C2)CC1=O 1754768568 RZQHTSYHVMJBEH-LLVKDONJSA-N 308.382 -0.680 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCO[C@@H](CNCc2ncnn2C)C1 1754999057 AMDAYCBUOOVLNY-WFASDCNBSA-N 323.397 -0.541 30 20 DBED N#CCN1CCC(CO)(NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC1 1755178078 OYFRUXXUVUMAKD-VXGBXAGGSA-N 303.366 -0.020 30 20 DBED CN(C(=O)c1n[nH]cc1F)[C@@H](CNCC(=O)NCC#N)C1CC1 1755565655 COHNFEGQTLGMFT-NSHDSACASA-N 322.344 -0.371 30 20 DBED C=CCNC(=O)CN[C@H]1C[C@H](C)N(C(=O)c2nccnc2N)C1 1755675317 XLWFHSWUPFWGJY-QWRGUYRKSA-N 318.381 -0.446 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@@H](O)CN(C)C(=O)C1CCCC1 1755770722 XSLCEXHIDQLLGL-TZMCWYRMSA-N 309.410 -0.277 30 20 DBED CCN(CCC#N)C(=O)CN[C@@H]1CN(C(=O)C(N)=O)CC1(C)C 1755775909 UCXZFPQULSTTKU-LLVKDONJSA-N 323.397 -0.940 30 20 DBED CN(C[C@@H](O)CNCC(=O)NCC#N)C(=O)[C@@H]1CC12CCCC2 1755790800 DHSCHMUXMUYAIZ-STQMWFEESA-N 322.409 -0.385 30 20 DBED C#CCNC(=O)CNC[C@H](NC(=O)[C@H](C)CC(N)=O)C(C)(C)C 1755829859 GXYUVFZBSVVFJD-NEPJUHHUSA-N 324.425 -0.632 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC(CCO)(NC(=O)CCC)C1 1756075801 UKNLZVVONXOXPO-AWEZNQCLSA-N 321.421 -0.036 30 20 DBED C[C@@H](NC(=O)Cn1cnnn1)C1CN(C(=O)C#CC(C)(C)C)C1 1756127495 SUPPNLIVVYTJHI-LLVKDONJSA-N 318.381 -0.314 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@H](CO)NC(=O)c1cc(CC)[nH]n1 1756515911 RIDUZOZKGUAADN-XHDPSFHLSA-N 324.381 -0.494 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@H](CO)NC(=O)c1cc(C)on1 1756515925 RMQUIBHTWDSFPV-YGRLFVJLSA-N 311.338 -0.483 30 20 DBED C=CCOCC(=O)NC1CC(N(C)C(=O)c2cn(C)nn2)C1 1756738559 SWIQOZTVUPEYAL-UHFFFAOYSA-N 307.354 -0.263 30 20 DBED C=CCCCC(=O)N[C@@H]1CN(C(=O)c2cnn(C)c2N)C[C@H]1O 1757028472 GAGNKVWVZINTCQ-VXGBXAGGSA-N 321.381 -0.340 30 20 DBED C#CCCCCC(=O)N[C@@H]1CN(C(=O)CN2CCCC2)C[C@@H]1O 1757167465 NRHNYKJWIHAMOP-CABCVRRESA-N 321.421 -0.036 30 20 DBED C=CCCCC(=O)N(CCO)C1CCN(C(=O)C(N)=O)CC1 1757554959 LWHOZLCWVVXVCD-UHFFFAOYSA-N 311.382 -0.360 30 20 DBED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3C[C@@H](O)C3)[C@H]2C1 1788124202 XAWRPZQFENBIQC-HPCHECBXSA-N 306.362 -0.630 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccnn1CC)C2 1800450825 KGYSMPQFBKFLTK-JJLQDPRZSA-N 316.361 -0.261 30 20 DBED CCC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC(=O)O 1801993513 VNDWWVARBMVPCT-JGPRNRPPSA-N 306.318 -0.308 30 20 DBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCCO1)CCO2 1840015275 JLZUHCCURDAMGN-BBRMVZONSA-N 322.361 -0.745 30 20 DBED CCNC(=O)N[C@@H](C)C(=O)N1CC2(CCCN2C(=O)CC#N)C1 1842622391 IQGOUBYUJIKYOB-NSHDSACASA-N 321.381 -0.189 30 20 DBED C[C@H](C(=O)N1CC2(CCCN2C(=O)CC#N)C1)n1ccnn1 1842623723 YZMIBQSEFRAKKL-LLVKDONJSA-N 302.338 -0.044 30 20 DBED Cc1ccc(C#N)cc1S(=O)(=O)N[C@@H](CC(N)=O)C(=O)O 70430302 AXTPYCFCVLYFJC-VIFPVBQESA-N 311.319 -0.526 30 20 DBED CCCCOCCNC(=O)Cn1c(=O)c(C#N)cn(C)c1=O 134722168 AXEVPKULQICXDC-UHFFFAOYSA-N 308.338 -0.648 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2C[C@@H]2OCC)CC1 171975974 IQOXRECSZUYQIB-KGLIPLIRSA-N 307.394 -0.305 30 20 DBED N/C(CN1CCOCC1)=N\OCc1nnnn1-c1ccccc1 177595516 FTMPOGNMNMCXCL-UHFFFAOYSA-N 317.353 -0.217 30 20 DBED C=C(C)[C@H](CC(=O)N1CCN(S(N)(=O)=O)CC1)OCC 270127852 XALGSDOLACMGPM-NSHDSACASA-N 305.400 -0.295 30 20 DBED CC(C)(C#N)c1ccc(C(=O)N(CC(N)=O)CC(N)=O)cc1 280346773 SLWGSXOGMWJHDO-UHFFFAOYSA-N 302.334 -0.099 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCc2cccn2C)C1=O 284087457 OXESLLALWSCTGF-ZDUSSCGKSA-N 318.377 -0.113 30 20 DBED C=CCC(C)(C)CNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 292450056 AKKPDIQFHDYLLL-UHFFFAOYSA-N 315.395 -0.035 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC(C)(C)C(=O)OC)C1=O 299561767 ZYWBNEVDJGOETH-UHFFFAOYSA-N 311.294 -0.969 30 20 DBED N#Cc1cncc(S(=O)(=O)N2CCN([C@H]3CCNC3)CC2)c1 320582960 NOPMVLYKWQHQRQ-ZDUSSCGKSA-N 321.406 -0.379 30 20 DBED C[C@H](C[S@](C)=O)N/C(O)=N/CCC(=O)N1CCOCC1 330828916 IGBDMIVZIJKECH-SBKAZYGRSA-N 305.400 -0.494 30 20 DBED CN(C)S(=O)(=O)NCC/N=C(/O)NCC1CCOCC1 331229167 FXZLFYISAQVXPY-UHFFFAOYSA-N 308.404 -0.687 30 20 DBED C[C@@](C#N)(NC(=O)CN1CC[C@@H](S(N)(=O)=O)C1)C1CC1 331703258 XFXCRVWKCAKDKC-PWSUYJOCSA-N 300.384 -0.842 30 20 DBED COCCN(CCC#N)S(=O)(=O)NCCCn1ccnn1 336950719 TYNFGDPGBYUFSF-UHFFFAOYSA-N 316.387 -0.635 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N1CCCN([C@@H](C)CO)CC1 337174259 HUVPTDNJRCXYAM-OLZOCXBDSA-N 318.443 -0.289 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC[C@H](OCCO)C1 337777354 QVBLNQVWKONGIL-RYUDHWBXSA-N 305.400 -0.062 30 20 DBED C=CC[C@H](CO)CNC(=O)NCCS(=O)(=O)NC(C)C 341801602 OQLIPPOTVBUCGF-NSHDSACASA-N 307.416 -0.202 30 20 DBED C=CC[C@H](CO)CNC(=O)c1cnc2c(c1)c(O)nc(=O)n2C 342179240 KYUCRHMJNACRGM-VIFPVBQESA-N 318.333 -0.052 30 20 DBED C=CCN(CC=C)C(=O)C(=O)NCC1CN(S(C)(=O)=O)C1 346647602 RGTAAAGTOPIORG-UHFFFAOYSA-N 315.395 -0.805 30 20 DBED CC(C)(C(N)=O)N1CCN(C(=O)c2cnccc2C#N)CC1 358842920 WOOKEWIIYBTLOU-UHFFFAOYSA-N 301.350 -0.025 30 20 DBED N#C[C@H]1CCC[C@@H]1NS(=O)(=O)N1CCS(=O)(=O)CC1 360469637 VEUZAZYMDHRWQR-ZJUUUORDSA-N 307.397 -0.757 30 20 DBED N#Cc1nc(NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)[nH]c1C#N 361542374 YJSDYBYKENVYBF-SSDOTTSWSA-N 310.277 -0.132 30 20 DBED C[C@H]1CC(=NC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)NO1 378305118 GUYXBJDFELSPAI-NWDGAFQWSA-N 324.381 -0.594 30 20 DBED O=C(CCNS(=O)(=O)c1ccccc1F)NCC#CCO 412325124 SVAVJLKBQKIETQ-UHFFFAOYSA-N 314.338 -0.394 30 20 DBED C=CCC[C@H]1NC(=O)N(CCNS(=O)(=O)NC(C)C)C1=O 419941436 WSXJOJDYWJAOKM-SNVBAGLBSA-N 318.399 -0.295 30 20 DBED C=CCN1CC[C@@H](N2CCC[C@H](N3CCNCC3=O)C2)C1=O 420304883 JIKRFNQIMIAFQZ-UONOGXRCSA-N 306.410 -0.331 30 20 DBED N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1CNC(=O)C1 444181698 JKWWEFSMFUEQAV-SSDOTTSWSA-N 310.291 -0.367 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C)[C@@H](OC)C2CC2)C1=O 456593536 NARNHOWCNXORJO-JOYOIKCWSA-N 323.349 -0.107 30 20 DBED C#CCN1CCN(C(=O)CN2CCN(C[C@@H](C)O)C[C@@H]2C)CC1 491143595 GLEDBWAWWXZXCU-JKSUJKDBSA-N 322.453 -0.849 30 20 DBED C#CCNC(=O)CCN1CCC(n2cc(C(=O)OC)nn2)CC1 491165211 JGHUBLIAFIDMCB-UHFFFAOYSA-N 319.365 -0.159 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)Cn2cncc2C)CC1 527744268 JXLOBONFXBFTTL-UHFFFAOYSA-N 305.382 -0.362 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N1C[C@@](C)(CO)[C@@](C)(CO)C1 528542366 RRKMQMUKIQRRHQ-RWMBFGLXSA-N 319.427 -0.222 30 20 DBED N#Cc1ccc(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)O)c(F)c1 548201739 SGEPTTCSDGBNHR-QMMMGPOBSA-N 315.282 -0.696 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1CCC[C@@]1(C)CO 548838724 QFCJGPIAFFIYHJ-LBPRGKRZSA-N 305.400 -0.060 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@H](C)CC(=O)N2)CC1 555138824 ZHYKBFPKFGRAGV-STQMWFEESA-N 322.409 -0.653 30 20 DBED N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@H]2CCCNC2)cc1 582421897 UQJOEZNUOMQKNX-LBPRGKRZSA-N 322.390 -0.295 30 20 DBED CC1(C)CN(S(=O)(=O)N2CC[C@](O)(CC#N)C2)CCO1 592078210 NVKZGBZUXJHLEA-GFCCVEGCSA-N 303.384 -0.308 30 20 DBED CCN1C[C@H](CNS(=O)(=O)N(C)[C@H](C)CC#N)CC1=O 593642027 XDLRDRGJKMHWPJ-MNOVXSKESA-N 302.400 -0.077 30 20 DBED N#Cc1cnnc(NCCN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 596162769 ILHIOGMYTXLTMT-AUZPSNTRSA-N 309.329 0.567 30 20 DBED CN(CCNS(=O)(=O)N1CCO[C@H](C#N)C1)CC(F)F 599518831 HOAJCWDWTBCGNV-SECBINFHSA-N 312.342 -0.758 30 20 DBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H]1CCNC1 599940317 LDAMYZRGZVRVJV-NWDGAFQWSA-N 315.381 -0.070 30 20 DBED C[C@@H]1O[C@H](C)C[C@H]1CNC(=O)C(=O)N1CCN(CCC#N)CC1 602277861 XWXQPYNLZOYCQB-RDBSUJKOSA-N 322.409 -0.026 30 20 DBED C=CCOCCNC(=O)N(C)[C@H]1CCN(S(C)(=O)=O)C1 644225382 XXYWMXCOKCXQGQ-NSHDSACASA-N 305.400 -0.136 30 20 DBED C=C[C@@H](O)C(=O)N1CCN(c2ncnc3c2cnn3C)CC1 646617696 AGQVWMCSNZFVCK-LLVKDONJSA-N 302.338 -0.441 30 20 DBED CCN(C[C@H](C)C#N)C(=O)COC(=O)Cn1ccc(O)nc1=O 728319755 FQADWABTFUTBMK-SNVBAGLBSA-N 322.321 -0.500 30 20 DBED C#CCOc1ccc(NC(=O)C(=O)N2CC[C@H](C(N)=O)C2)cc1 731127092 SHSLUMNKWHAHMR-NSHDSACASA-N 315.329 -0.029 30 20 DBED C#CCNC(=O)[C@@H](C)OC(=O)[C@@H]1CCCCN1S(C)(=O)=O 744775525 VTPKOJDLODIDHH-MNOVXSKESA-N 316.379 -0.518 30 20 DBED CNS(=O)(=O)C[C@@H]1CCCN1Cn1cccc(C#N)c1=O 758229173 DQCPEZQATUUBOK-LBPRGKRZSA-N 310.379 -0.309 30 20 DBED N#Cc1ccncc1C(=O)OCC(=O)NCC(=O)N1CCCC1 805717013 QVZLXPOVIJDJNP-UHFFFAOYSA-N 316.317 -0.151 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2OCC)CC1 831556479 OVBQKDXQILACRA-NEPJUHHUSA-N 315.395 -0.977 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)C(=O)C(C)(C)C)CC1 831560722 FXICIBBXLRJUSU-UHFFFAOYSA-N 315.395 -0.787 30 20 DBED C#CCCNS(=O)(=O)CCCS(=O)(=O)Nc1ccon1 848965439 PMHDZOFHKXRYBK-UHFFFAOYSA-N 321.380 -0.251 30 20 DBED COCCCNC(=O)[C@H](C#N)C(=O)Cn1cc(C(=O)OC)cn1 860461062 DWROOCGZTONPIV-LLVKDONJSA-N 322.321 -0.469 30 20 DBED N#Cc1ccc(NCCNC(=O)[C@H]2CCS(=O)(=O)C2)nc1 914859589 UXBFQJSLMBJXEK-NSHDSACASA-N 308.363 -0.084 30 20 DBED CO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1NC(=O)c1cnccn1 941066119 PDPJIOAJIOQESM-MVWJERBFSA-N 303.322 -0.408 30 20 DBED Cc1cc(C(=O)NC[C@@H]2CN(C(=O)[C@H](C)C#N)CCO2)n[nH]1 944504222 RGGRQBJXXMTSDK-MWLCHTKSSA-N 305.338 -0.165 30 20 DBED C#CCN1CCC(C(=O)N[C@@H]2[C@H]3C[C@H]2N(C(=O)COC)C3)CC1 947312751 QKJSHKDSRAXLSW-SQWLQELKSA-N 319.405 -0.307 30 20 DBED N#Cc1ccc(C(=O)N2C[C@H]3C[C@H]2[C@@H]3NC(=O)c2nc[nH]n2)[nH]1 947756740 WDWSQENPEOLPST-PPKCKEKNSA-N 311.305 -0.353 30 20 DBED C=CCN1CC[C@H](N2CCN(C(=O)c3cncn3C)CC2)C1=O 949125107 ZJUADNCDNJYZSH-ZDUSSCGKSA-N 317.393 -0.035 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)[C@H]1CCN(C)C1=O)CCO2 949162219 PKNWGLUSLIQVES-AWEZNQCLSA-N 319.405 -0.209 30 20 DBED CN(C(=O)c1cc(C#N)c[nH]1)C1CN(C(=O)c2cnon2)C1 953990876 BTLLSHCJFWFKEY-UHFFFAOYSA-N 300.278 -0.134 30 20 DBED COc1c[nH]c(C(=O)N(C)C2CN(C(=O)[C@@H](C)C#N)C2)cc1=O 954773065 YEMSOWXRTWHSJU-VIFPVBQESA-N 318.333 -0.174 30 20 DBED C[C@H](C#N)C(=O)N1CC(N(C)C(=O)c2cn(C)ccc2=O)C1 954892047 JTESCNKKXTZOMF-SNVBAGLBSA-N 302.334 -0.172 30 20 DBED C[C@H](C#N)C(=O)N1CC(N(C)C(=O)c2ccnc3[nH]nnc23)C1 954892079 LAAUGANBPTXCJY-MRVPVSSYSA-N 313.321 -0.205 30 20 DBED CC#CCN1CCN(C(=O)c2nc(O)nc(O)c2OC)CC1 957314399 FOHOBQKBQHATMY-UHFFFAOYSA-N 306.322 -0.323 30 20 DBED C=CCN1C[C@@H](O)[C@@H](CNC(=O)c2cccc(C(N)=O)n2)C1 958736444 OQJNAUAVRNJFPV-GXFFZTMASA-N 304.350 -0.611 30 20 DBED C=C(Cl)CN1C[C@H]2[C@H](NC(=O)[C@@H]3CCS(=O)(=O)N3)[C@H]2C1 962601328 BMMDUINYWOYCGG-ZRUFSTJUSA-N 319.814 -0.523 30 20 DBED C[C@H](C#N)C(=O)N1CC2(C[C@H](NC(=O)c3ccnn3C)CO2)C1 965648281 YRORMDCZWOCGIS-MNOVXSKESA-N 317.349 -0.321 30 20 DBED C#Cc1cncc(C(=O)N[C@@H](C)C2CN([C@@H](C)C(N)=O)C2)c1 970402281 WOHWLIGOFKJRRJ-QWRGUYRKSA-N 300.362 -0.013 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)c3cn(C)nn3)C2)nc1 974095066 UIXCWPVFSJWQGU-TXEJJXNPSA-N 324.344 -0.118 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)[C@@H]3CCCN3C(N)=O)[C@H]2C1 976776020 IMAXVKAJRTYDEY-HHHUOAJASA-N 319.365 -0.738 30 20 DBED COCCN1C[C@H](C(=O)NCC2[C@H]3CN(CC#N)C[C@H]23)CC1=O 978240519 HHHYPBZKUFHNPZ-MRVWCRGKSA-N 320.393 -0.701 30 20 DBED C#CCN1C[C@H]2[C@H](CNC(=O)c3cc(C(N)=O)cn3C)[C@H]2C1 978448037 XECZKRNJLODSNH-XYYAHUGASA-N 300.362 -0.335 30 20 DBED C#Cc1cncc(C(=O)N2CCCN(CC(=O)NC)CC2)c1 981923633 WVQKHHPMXAJIIM-UHFFFAOYSA-N 300.362 -0.043 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CC(N)=O)[C@@H]1C 988310669 MDBVMZFEWPSGDZ-NDBYEHHHSA-N 323.393 -0.051 30 20 DBED C=CCN[C@H]1C[C@@H](C)N(C(=O)c2cn(CC(=O)N(C)C)nn2)C1 989832652 VIAZFOZGFIBJSD-NEPJUHHUSA-N 320.397 -0.255 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)C3=COCCO3)C2)cn1 997089376 DUQLTVURPQPMCK-UHFFFAOYSA-N 313.313 -0.108 30 20 DBED C#CCN1CC[C@@H](n2cc(CNC(=O)c3n[nH]cc3F)nn2)C1 1000018708 ZSCWBNSSLTVQAG-LLVKDONJSA-N 317.328 -0.050 30 20 DBED C#Cc1cncc(C(=O)NCC2CCN(CC(N)=O)CC2)c1 1001812358 LEOSPPIIVQVLEJ-UHFFFAOYSA-N 300.362 -0.010 30 20 DBED C#CCN1CC[C@H](NC(=O)Cn2nc3n(c2=O)CCCC3)C1 1015953800 IUQPMOVRPFUICI-LBPRGKRZSA-N 303.366 -0.795 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1[C@H]2CC[C@H]1CN([C@@H](C)C(N)=O)C2 1017628247 IHFFDSHCLZRAMK-AJNGGQMLSA-N 318.421 -0.367 30 20 DBED C=CCN[C@@H]1CC[C@@H]2CN(C(=O)CN3CCN(C)C(=O)C3)C[C@@H]21 1026296734 CCGPMYAGGLURHV-QLFBSQMISA-N 320.437 -0.227 30 20 DBED C#CCN1CC[C@H](CNC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 1028536535 VDLZSUYYNWDUCG-CHWSQXEVSA-N 315.377 -0.166 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)c3cc(=O)n(C)o3)C2)C1=O 1030255798 CMWMEDSPZUQDPX-LLVKDONJSA-N 320.349 -0.821 30 20 DBED C=C(Cl)CN1CC(NC(=O)Cn2ccc(=O)n(C)c2=O)C1 1030399519 XIEGIVDAONAWLZ-UHFFFAOYSA-N 312.757 -0.900 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCC1CN(Cc2nc(O)n[nH]2)C1 1031741351 XBZIYUFYBAOIMK-LBPRGKRZSA-N 318.381 -0.844 30 20 DBED C=CCCN1CCCC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C1 1034544357 QNKGPYGWYQFAMD-GFCCVEGCSA-N 320.397 -0.076 30 20 DBED C#CCN1CCC2(CCN(C(=O)[C@@H]3CN(C)C(=O)N3)CC2)C1 1035211850 ONZDDCGBLLSCNG-ZDUSSCGKSA-N 304.394 -0.042 30 20 DBED Cc1ccnc2nc(C(=O)NC[C@H]3CN(CC#N)CCO3)nn12 1035598236 SFJDNWFWWVYVHB-NSHDSACASA-N 315.337 -0.613 30 20 DBED C=C(C)CCC(=O)NC[C@@]1(O)CCN(C(=O)[C@H]2CCC(=O)N2)C1 1039986817 IANNUOANFMYKNE-WBMJQRKESA-N 323.393 -0.299 30 20 DBED C[C@H]1[C@@H](Nc2nccnc2C#N)CCN1C(=O)CS(C)(=O)=O 1040052692 WFIHRJPHEJLYCL-UWVGGRQHSA-N 323.378 -0.206 30 20 DBED C=CCO[C@H](C)C(=O)NC[C@@]1(O)CCN(C(=O)c2cocn2)C1 1040160557 DRHLQEHAKPTKMJ-ABAIWWIYSA-N 323.349 -0.041 30 20 DBED Cc1ccc(C(=O)N2CC[C@@](O)(CNC(=O)[C@@H](C)C#N)C2)nn1 1040764650 XCUHHAVDZBRTPK-ZUZCIYMTSA-N 317.349 -0.362 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2cscn2)C1 1042022720 FWVITEQOERLXTP-JTQLQIEISA-N 323.374 -0.516 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)[C@@H](CC)OC)C1 1042040873 ZWJNSIVMLPGXIX-LLVKDONJSA-N 300.355 -0.697 30 20 DBED CC(C)(C)C#CC(=O)N1CC(O)(CNC(=O)c2cncnc2)C1 1042710001 NSQANWFVKRVTQD-UHFFFAOYSA-N 316.361 -0.171 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)[C@H]2CO[C@@H](C)C2)C1 1042801146 FEBVMSIFFYOBAC-QWHCGFSZSA-N 308.378 -0.096 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)[C@]2(C)CCOC2)C1 1043040139 OIEUGWUAEKHFHP-SWLSCSKDSA-N 324.377 -0.859 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)[C@@H]2CC23CC3)C1 1043042386 OOBLSDWXJJCXRL-NEPJUHHUSA-N 306.362 -0.486 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)[C@H]2CO[C@H](C)C2)C1 1043624214 KCLVSRHSPPQZDK-CHWSQXEVSA-N 308.378 -0.096 30 20 DBED C=CCCO[C@H](C)C(=O)N1CC(O)(CNC(=O)[C@H](C)C#N)C1 1045541636 ZQWDSGAKIXJGLM-VXGBXAGGSA-N 309.366 -0.183 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@@H](C)C#N)C1 1045560143 SXZWDBQNFLSDTQ-XQQFMLRXSA-N 321.377 -0.183 30 20 DBED C=CCN1CC[C@H](N2CC[C@@](C)(NC(=O)c3nc[nH]n3)C2)C1=O 1046712438 WBSBUYCWZZYIMO-XHDPSFHLSA-N 318.381 -0.214 30 20 DBED N#Cc1ccc(C(=O)N2CC(O)(CNC(=O)[C@H]3CC34CC4)C2)[nH]1 1047141689 WEGRBWSKSUNAKN-LLVKDONJSA-N 314.345 -0.010 30 20 DBED C=C(C)CCN1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]c(=O)cn2)C1 1047505594 NYARAJHSOBXYTJ-STQMWFEESA-N 306.366 -0.147 30 20 DBED C=CCCn1cc(C(=O)N(C)[C@H]2CN(C[C@@H](C)O)C[C@@H]2O)nn1 1047557693 IDXQWPZVJLQWHM-XBFCOCLRSA-N 323.397 -0.648 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cn[nH]c2)C1 1048351227 ZWRYNGJNYVPJCI-STQMWFEESA-N 304.350 -0.287 30 20 DBED C=CCOCC(=O)N(C)[C@H]1CN(C(=O)c2nocc2C)C[C@@H]1O 1048557473 DPKBXDWAJHKUDH-RYUDHWBXSA-N 323.349 -0.171 30 20 DBED Cc1ncn(C)c1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)C#N)C1 1049401882 LSWCADVKGUFUNK-USWWRNFRSA-N 319.365 -0.468 30 20 DBED CN1C(=O)CN(CC(=O)N2CCC[C@@H]3[C@H]2CCN3CC#N)C1=O 1049839095 HACWJAYAYDXRME-VXGBXAGGSA-N 319.365 -0.531 30 20 DBED N#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H]1CC(=O)NC1=O 1049933340 KNCJUOPNFYULOG-SDDRHHMPSA-N 304.350 -0.372 30 20 DBED CC(C)C#CC(=O)N1CC[C@H]([C@H](C)NC(=O)CNC(N)=O)C1 1050643299 ZUSVAFDGCAREGQ-RYUDHWBXSA-N 308.382 -0.333 30 20 DBED C=C(Cl)CN1CCOC[C@H]1CNC(=O)[C@H]1COCCN1C 1050878936 DOKXIWIVHWKJHD-CHWSQXEVSA-N 317.817 -0.114 30 20 DBED COCCn1cc(C(=O)NC[C@@H]2COCCN2CC#N)c(C)n1 1050918898 BKTHTAZNBGQSTB-CYBMUJFWSA-N 321.381 -0.208 30 20 DBED N#CCN1CCN([C@@H]2CCN(C(=O)Cc3cncnc3)C2)CC1 1052022543 WENNPTVFGRFNMU-OAHLLOKOSA-N 314.393 -0.239 30 20 DBED CC#CCN1CCN([C@H]2CCN(C(=O)Cn3nccn3)C2)CC1 1052032309 FLGYLAKXPBXYKE-HNNXBMFYSA-N 316.409 -0.480 30 20 DBED C=C(C)CN1CC2(CC[C@H](CNC(=O)[C@H]3CNC(=O)N3)O2)C1 1053655479 LZQFWQZEXUSDDD-VXGBXAGGSA-N 308.382 -0.407 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)CO2)C1 1053924626 YYAMDSJEJAVHPQ-FRRDWIJNSA-N 321.377 -0.998 30 20 DBED C[C@H](C#N)C(=O)N[C@@]1(CO)CCCN(C(=O)Cc2ncc[nH]2)C1 1056098039 YPFUESDWUKPRLL-ABAIWWIYSA-N 319.365 -0.418 30 20 DBED N#Cc1cnc(N2C[C@H]3[C@H](NC(=O)[C@@H]4CCC(=O)N4)[C@H]3C2)cn1 1056265046 YYVYRRHHGLIZOF-BBGACYKPSA-N 312.333 -0.822 30 20 DBED C#CCCCCC(=O)N(CCO)CCNC(=O)c1cnn[nH]1 1057387993 BMAWBBHKWHBRBA-UHFFFAOYSA-N 307.354 -0.451 30 20 DBED C#CCO[C@H](C)C(=O)N(CCO)CCNC(=O)C[C@H](C)OC 1057583575 UCIBEQNNTVGTJC-QWHCGFSZSA-N 314.382 -0.613 30 20 DBED C#CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)c1cnco1 1057584158 GESXHSUWJAIJLF-NSHDSACASA-N 309.322 -0.736 30 20 DBED N#Cc1cnc(N2CCC[C@@H](NC(=O)Cc3nc[nH]n3)C2)cn1 1058194491 XVVHIDNOYDHCHB-SNVBAGLBSA-N 312.337 -0.206 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)[C@@H](C)CC(N)=O 1058292405 YWMCMNCNOSHQBI-LBPRGKRZSA-N 311.382 -0.762 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)[C@H](C)c1cnn(C)c1 1058895275 SYWOCIPVNNPMRU-VXGBXAGGSA-N 321.381 -0.380 30 20 DBED N#Cc1cnc(N[C@H]2CCN(C(=O)C3(C(N)=O)CC3)C2)cn1 1059039471 HYZNYEMFHXURNJ-VIFPVBQESA-N 300.322 -0.373 30 20 DBED C#Cc1ccc(C(=O)N2CCOC[C@H]2CNC(=O)COC)cn1 1061200293 ZLGVMIZDKBYRCN-CQSZACIVSA-N 317.345 -0.334 30 20 DBED C#CCOCCC(=O)N1CCOC[C@H]1CNC(=O)CSC 1061262011 RRQRSMXICMYYRN-GFCCVEGCSA-N 314.407 -0.267 30 20 DBED C=CCCC(=O)NC[C@@H]1COCCN1C(=O)CC(=O)N(C)C 1061411144 YAIYYGTUDBLQEO-GFCCVEGCSA-N 311.382 -0.226 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)c1ccc(O)nc1 1061852887 NTNUMQJIVIBISZ-ZYHUDNBSSA-N 318.333 -0.096 30 20 DBED C=CCOCC(=O)NC1(CNC(=O)[C@H](C)NC(N)=O)CCC1 1062848423 FSBOCHMVAQHDEM-JTQLQIEISA-N 312.370 -0.599 30 20 DBED C=C[C@](C)(O)CC(=O)NC1(CNC(=O)c2cn(C)nn2)CCC1 1062922492 NLTXIOLTJDUZTL-AWEZNQCLSA-N 321.381 -0.089 30 20 DBED N#CCSCC(=O)NC1(CNC(=O)c2nc[nH]n2)CCC1 1063999566 HVJLEOCXRCKNLX-UHFFFAOYSA-N 308.367 -0.170 30 20 DBED Cn1cnc(C(=O)N[C@H]2[C@H]3C[C@H]2N(c2cncc(C#N)n2)C3)n1 1064242348 MVIUCRVKRASPCL-XRNSZHNASA-N 310.321 -0.516 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCO[C@@H](CNC(=O)c2cnco2)C1 1065153441 WESYYTYMWFDMEW-RYUDHWBXSA-N 321.333 -0.330 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CNC(=O)N2)CC1 1066147254 HGZWITCPADWBIE-OLZOCXBDSA-N 320.393 -0.176 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H]1CCCN(C(=O)CNC(N)=O)CC1 1066166255 JRWPCIIHBGAFHY-NEPJUHHUSA-N 324.381 -0.810 30 20 DBED N#Cc1ccc(NC[C@@H]2CN(C(=O)CC(N)=O)CCO2)nc1 1066607629 SZMKFBDHZZJEDA-LLVKDONJSA-N 303.322 -0.532 30 20 DBED Cc1ccc(C#N)c(N[C@@]2(CO)CCCN(C(=O)C(N)=O)C2)n1 1066920573 UWTBGKFOFGFGJJ-HNNXBMFYSA-N 317.349 -0.488 30 20 DBED C=C[C@@](C)(O)CC(=O)N(C)CCCN(C)C(=O)CC(=O)NC 1067261311 VSHIRSYGZKOZTR-OAHLLOKOSA-N 313.398 -0.244 30 20 DBED N#Cc1cncc(N2C[C@H](O)[C@H](CNC(=O)c3cn[nH]c3)C2)n1 1067651560 NGQVILKZWQSMBA-PWSUYJOCSA-N 313.321 -0.702 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H]1C[C@H](NC(=O)[C@@H]2COC(=O)N2)C1 1068481095 DFJRVORKSAZCAF-GAFUQQFSSA-N 315.333 -0.210 30 20 DBED C=CCN1CCn2ncc(CNC(=O)[C@@H]3CC(=O)N(C)C3)c2C1 1069862309 JSLQBBWSUBIODV-GFCCVEGCSA-N 317.393 -0.021 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2cncc(C#C)c2)C1 1070022385 MPZPUJBVPIKQEW-CVEARBPZSA-N 320.356 -0.057 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2cnnc(C)c2)C[C@@H]1n1ccnn1 1070187933 XQCOCXRELANVDC-KGLIPLIRSA-N 311.349 -0.335 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)c2cnon2)CCOCC1 1070214355 BBWZMYHETPQUPQ-VIFPVBQESA-N 307.310 -0.376 30 20 DBED N#Cc1cc(C(=O)N2CCC[C@@H](NC(=O)CC(N)=O)C2)c[nH]1 1070633609 PMSRWXGHVAPRDQ-SNVBAGLBSA-N 303.322 -0.517 30 20 DBED C=CCCOCC(=O)N1C[C@@H](NC(=O)CNC(C)=O)[C@H](C)C1 1072329334 JLDBBGGCVWYMIX-DGCLKSJQSA-N 311.382 -0.322 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCN(C[C@@H](O)Cn3cccn3)C2)C1 1072544102 AXWMFNDHLNRPHX-ZIAGYGMSSA-N 317.393 -0.062 30 20 DBED CC#CCN1CCO[C@H]2CCN(C(=O)c3nnn(C)n3)C[C@@H]21 1074317720 VAAPUIPPGXNBLN-RYUDHWBXSA-N 304.354 -0.851 30 20 DBED CCNC(=O)CC(=O)NCC1(O)CCN(C(=O)[C@H](C)C#N)CC1 1074705685 XDXSJFDZOUUTJW-LLVKDONJSA-N 324.381 -0.858 30 20 DBED C#CCOCCC(=O)N[C@H]1CCN(C(=O)c2cnn[nH]2)[C@@H](C)C1 1074990279 DCLPIYQRWLIXCL-RYUDHWBXSA-N 319.365 -0.046 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)c2cc(OC)n(C)n2)C1 1077357161 UJSQUYCARVDBGB-GHMZBOCLSA-N 314.773 -0.044 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCCS2(=O)=O)C1 1077451829 VBYPSXITENBCPN-JHJVBQTASA-N 316.423 -0.309 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCc3nn(C)cc32)C1 1077576439 NRKKZRXNVJTDNS-KCPJHIHWSA-N 302.378 -0.366 30 20 DBED C#CCN[C@H]1C[C@@H](NC(=O)CN2CCC(=O)NC2=O)C12CCC2 1078773842 OOSQXUHQOJVALK-NWDGAFQWSA-N 318.377 -0.422 30 20 DBED C#CCNC(=O)CC(=O)N1CC(N(CC)C(=O)[C@H](C)COC)C1 1079483253 FUONMRUUVYJERQ-GFCCVEGCSA-N 323.393 -0.532 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)N1CC(N(CC)C(=O)C(N)=O)C1 1080404257 ZDWHXZJRJJAKNG-LBPRGKRZSA-N 324.381 -0.998 30 20 DBED C#CCO[C@@H](C)C(=O)NC1(CO)CCN(C(=O)C(F)F)CC1 1080860918 CPNIWOOKGKFIBG-JTQLQIEISA-N 318.320 -0.241 30 20 DBED N#CCSCC(=O)NC[C@@H]1CN(C(=O)c2ccc[nH]2)C[C@@H]1O 1081286945 RCIHMWNZUMQLIX-PWSUYJOCSA-N 322.390 -0.179 30 20 DBED C#CCCCC(=O)N1C[C@H](CNC(=O)c2cn[nH]c2)[C@@H](O)C1 1081295775 VCLAEXRKVPYQJP-STQMWFEESA-N 304.350 -0.238 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)CCN(C)C)C[C@H]1O 1081344420 PVPJLNKOUBWTAV-CHWSQXEVSA-N 313.398 -0.924 30 20 DBED C#CCCCC(=O)N1C[C@H](CNC(=O)c2cnn(C)n2)[C@@H](O)C1 1081600796 KBFQMZWQIRTRKW-AAEUAGOBSA-N 319.365 -0.832 30 20 DBED C#CCN1C[C@@H](NC(=O)c2nc(C)c(C)[nH]c2=O)[C@H](OC)C1 1081842009 XYFAKBXOHIKMJH-VXGBXAGGSA-N 304.350 -0.551 30 20 DBED C=CCCOCC(=O)NC[C@@H]1CCCCN1C(=O)CC(N)=O 1081974217 DUYBPMUNJDYXED-LBPRGKRZSA-N 311.382 -0.048 30 20 DBED C=CCCN1C[C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)[C@H](OC)C1 1082374570 IIXIDNIUESXBFC-IJLUTSLNSA-N 317.411 -0.930 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)Cn2nc(C)cc2C(F)F)C1 1083490088 NNMAPGFKDCDHRA-PWSUYJOCSA-N 312.320 -0.076 30 20 DBED COCc1nc(CC(=O)N[C@@H]2CN(CC#N)C[C@@H]2O)cs1 1083931962 JSXCRGHFRRCJNH-MNOVXSKESA-N 310.379 -0.483 30 20 DBED C=CCCN1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)[C@H]1C 1089060514 QIIAPIABDJHSDR-MNOVXSKESA-N 306.370 -0.468 30 20 DBED C[C@@H](C[C@H](C)NC(=O)Cn1cnnn1)N=c1cc[nH]cc1C#N 1089214584 IXAIWADVTSKGRB-QWRGUYRKSA-N 314.353 -0.243 30 20 DBED C=CCOc1cccnc1C(=O)N[C@@H]1CCN(CCO)C[C@@H]1O 1090716275 NAKSGOPQSZOMSP-OLZOCXBDSA-N 321.377 -0.196 30 20 DBED CC(=O)CCCC(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1091063116 KNENOGHPWCLHCV-OLZOCXBDSA-N 317.349 -0.227 30 20 DBED CN(C)C(=O)CC(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@@H]1O 1091187872 MZANCZQKTJRGDR-NEPJUHHUSA-N 317.349 -0.903 30 20 DBED CC#CCN1C[C@@H]2CN(C(=O)CN3CCOCC3=O)C[C@]2(C)C1 1091741792 LDBRKBNHMXNLEA-PBHICJAKSA-N 319.405 -0.351 30 20 DBED N#Cc1cnc(N2C[C@H]3[C@H](NC(=O)CC(N)=O)[C@H]3C2)c(F)c1 1093227593 BSJCPIGINYTKLT-WOFXILAISA-N 303.297 -0.481 30 20 DBED N#Cc1nccnc1N1C[C@@H]2C(NC(=O)CCCC(N)=O)[C@H]2C1 1093277768 GDYYZCHGJWVEPG-UWVGGRQHSA-N 314.349 -0.445 30 20 DBED Cn1c(C(=O)NCCN=c2cc[nH]c(C#N)n2)cnc1Cl 1093990884 WEZUFDNYCKAQGK-UHFFFAOYSA-N 305.729 -0.001 30 20 DBED Cc1cc(C#N)nc(NCCNC(=O)[C@H](C)S(C)(=O)=O)n1 1094239297 UXJRMRDEZNSGAY-VIFPVBQESA-N 311.367 -0.382 30 20 DBED CC#CCN1CCN(C(=O)[C@H]2C[C@@H]2C)[C@@H]2CS(=O)(=O)C[C@@H]21 1094652661 NADCXVXHCKXZOA-XDQVBPFNSA-N 310.419 -0.025 30 20 DBED C[C@@H](C(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1)n1cccc1 1094721735 JNYHFRDADLKKGH-STQMWFEESA-N 315.377 -0.026 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)C3CC(OCC)C3)CC2=O)C1 1094729972 OYNXLMSITGPLQJ-OWYJLGKBSA-N 319.405 -0.164 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)Cc3ccc[nH]3)CC2=O)C1 1094818437 BTQLSQFXWRHDLR-ZDUSSCGKSA-N 300.362 -0.408 30 20 DBED CC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cnc(O)n(C)c1=O 1095859503 YPDAVNQNPPYJPQ-WXHSDQCUSA-N 316.361 -0.156 30 20 DBED C#CCCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN1CCNC(=O)C1 1095865858 VQXQMNRSGSHUEJ-RDBSUJKOSA-N 304.394 -0.837 30 20 DBED COC[C@H](OC)C(=O)N[C@H]1CCN(c2nccnc2C#N)C1 1096481996 FWFLDSBYJWWMFB-JQWIXIFHSA-N 305.338 -0.295 30 20 DBED N#Cc1ccc(N2CCC[C@@H](CNC(=O)CC(N)=O)C2)nn1 1097289548 ORWGVWMZOBZROV-JTQLQIEISA-N 302.338 -0.444 30 20 DBED C[C@H](CNC(=O)CCc1cn(C)nn1)N=c1cc[nH]c(C#N)n1 1097933820 XVDLFUWCUWWWNV-SNVBAGLBSA-N 314.353 -0.552 30 20 DBED C[C@@H](CNC(=O)C(=O)NCC1CC1)Nc1cnc(C#N)cn1 1098012977 VPMLRKVXMGBCKR-VIFPVBQESA-N 302.338 -0.209 30 20 DBED C[C@H](CNC(=O)C[C@@H]1CCC(=O)NC1)N=c1cc[nH]c(C#N)n1 1098096542 XGBQQXXIYCYGLL-MNOVXSKESA-N 316.365 -0.397 30 20 DBED C[C@H](CNC(=O)[C@H]1CC(=O)N(C)C1)Nc1ccc(C#N)nn1 1098346586 RQSXTYAUIGXRQQ-ZJUUUORDSA-N 302.338 -0.257 30 20 DBED C[C@@H](CNC(=O)CCS(C)(=O)=O)N=c1cc[nH]cc1C#N 1098392436 FSFVLGLSCDHOTN-JTQLQIEISA-N 310.379 -0.274 30 20 DBED N#CCNCc1cn([C@@H]2CCN(C(=O)c3cnon3)C2)nn1 1098752525 YROLFENJUQXNCC-SNVBAGLBSA-N 302.298 -0.639 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(CC(=O)NC2CC2)C[C@H]1O 1099740890 KRYRQAVSCTWSNS-CHWSQXEVSA-N 311.382 -0.981 30 20 DBED CC(=O)NC1(C(=O)N[C@H]2CCN(CC#N)C[C@@H]2O)CCCC1 1100032087 OUMHBJRSDIXOGZ-STQMWFEESA-N 308.382 -0.490 30 20 DBED CCc1noc(COCC(=O)N[C@@H]2CCN(CC#N)C[C@@H]2O)n1 1100072053 OJTABUOZGUFXLJ-MNOVXSKESA-N 323.353 -0.776 30 20 DBED CC#CCN1CC[C@H](NC(=O)CNC(=O)C(C)(C)C)[C@@H](O)C1 1100108196 RVWLMRDOVWVOMB-STQMWFEESA-N 309.410 -0.277 30 20 DBED CNS(=O)(=O)CC(=O)NCCN(C)c1ncccc1C#N 1100140453 PFBDXDFCPDYHGE-UHFFFAOYSA-N 311.367 -0.945 30 20 DBED CN(CCNC(=O)C(=O)NCC(F)F)c1ccc(C#N)cn1 1100223827 OMPOZBCJNOCAGF-UHFFFAOYSA-N 311.292 -0.113 30 20 DBED CN(CCNC(=O)[C@H]1CCS(=O)(=O)C1)c1ncccc1C#N 1100227222 MHAJXHHDPBVENI-LBPRGKRZSA-N 322.390 -0.060 30 20 DBED C#CCNC(=O)[C@H](C)NC1CC(CNC(=O)CC(C)(C)O)C1 1100291349 UEFUSZPGFSFHHL-HIFPTAJRSA-N 309.410 -0.230 30 20 DBED CN(C)CCCC(=O)NCC1CC(NCC(=O)NCC#N)C1 1100618559 NTBMYLYSKCLNKY-UHFFFAOYSA-N 309.414 -0.548 30 20 DBED C#CCO[C@@H](C)C(=O)NCCN(CC)c1nccn2nnnc12 1100620586 PMYYTPKPEZIHGB-NSHDSACASA-N 317.353 -0.500 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CCN(c2nccn3nnnc23)C1 1100971940 BSFOORLTHYJRBT-GFCCVEGCSA-N 311.349 -0.125 30 20 DBED CNS(=O)(=O)CCC(=O)N1C[C@H]2CN(CC#N)C[C@@]2(C)C1 1101237492 VMHXJXONSZXBHV-YPMHNXCESA-N 314.411 -0.770 30 20 DBED C[C@@H](CC(N)=O)C(=O)N[C@@H]1CC2(CN(CC#N)C2)n2ccnc21 1101635794 SCQHOYPNDRKXBJ-WDEREUQCSA-N 316.365 -0.510 30 20 DBED C=CCN1C[C@@H](C)[C@H](CNC(=O)CN2CCN(C)C(=O)C2)C1 1102106589 VLFWLEKTCQRJCC-ZIAGYGMSSA-N 308.426 -0.370 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)[C@@]2(C)CCOC2)C1 1102481904 YVMXAMYRCPABSI-CPUCHLNUSA-N 321.421 -0.154 30 20 DBED CCN(C(=O)CC(=O)NC)[C@@H]1CCN(c2cncc(C#N)n2)C1 1102796190 QWRBHQVPBUMPBH-GFCCVEGCSA-N 316.365 -0.088 30 20 DBED CC[C@H](CNC(=O)[C@H]1COCCN1C)Nc1nccnc1C#N 1103036746 QTRSJKWNEJMSIE-DGCLKSJQSA-N 318.381 -0.014 30 20 DBED CC[C@@H](CNC(=O)C1CS(=O)(=O)C1)N=c1cc[nH]c(C#N)n1 1103200414 XMURHXXBEYQPIU-JTQLQIEISA-N 323.378 -0.879 30 20 DBED CC[C@H](CNC(=O)[C@]1(C)CCNC1=O)N=c1cc[nH]c(C#N)n1 1103322748 FGAHTJXNFGRALO-MEBBXXQBSA-N 316.365 -0.397 30 20 DBED C[C@@H](CNC(=O)[C@H]1CN(C)CCO1)CNc1ccc(C#N)nn1 1103890475 YFMZOMRNRBAMTC-DGCLKSJQSA-N 318.381 -0.157 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)[C@@]1(C)CNC(=O)C1 1104139394 FUWLWRVWZHRNJO-MEBBXXQBSA-N 316.365 -0.539 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CC(=O)N(C)C1)CNc1ccc(C#N)nn1 1104254916 QZVQPBIPOACLQW-GHMZBOCLSA-N 316.365 -0.009 30 20 DBED C#CCNCc1cn(C2CN(C(=O)[C@@H]3CCC(=O)N3C)C2)nn1 1105305959 VCCBKRHLWFGMBM-ZDUSSCGKSA-N 316.365 -0.995 30 20 DBED Cc1nc(NC[C@H](O)CNC(=O)[C@H](C)C#N)nc(N(C)C)n1 1105773839 NUMYOUWKQGCRTG-PSASIEDQSA-N 307.358 -0.705 30 20 DBED N#Cc1cccnc1NC[C@H](O)CNC(=O)C[C@H]1COC(=O)C1 1105819561 GDXMPKHAQNOKGF-ZYHUDNBSSA-N 318.333 -0.205 30 20 DBED CC[C@@H](OC)C(=O)N1C[C@@H](C)[C@H](CNCC(=O)NCC#N)C1 1105906266 JSNIWMZYVOVSBQ-JHJVBQTASA-N 310.398 -0.265 30 20 DBED C[C@@H]1CCCN1CC(=O)NC[C@H](O)CNc1nccnc1C#N 1106108037 FVUDNFXEXZJUSM-NEPJUHHUSA-N 318.381 -0.278 30 20 DBED C#CCNC[C@@H]1CN(C(=O)CN(C)CC(=O)NC(C)C)C[C@H]1C 1106373654 NUTJSOZJULXOGO-HUUCEWRRSA-N 322.453 -0.240 30 20 DBED N#Cc1ccc(NC/C=C\CNC(=O)[C@H]2CCNC(=O)C2)nn1 1107122037 KOCLOOKLHKHXCB-BVBSBALXSA-N 314.349 -0.041 30 20 DBED CC#CCN1CC(n2cc(CNC(=O)Cc3ncc[nH]3)nn2)C1 1107222617 PPVUQKDQSNNFIK-UHFFFAOYSA-N 313.365 -0.260 30 20 DBED Cc1cc(C#N)nc(NC/C=C/CNC(=O)Cn2ncnn2)n1 1107355130 SCOXWWASGKNIEE-NSCUHMNNSA-N 313.325 -0.572 30 20 DBED N#Cc1c[nH]ccc1=NC/C=C\CNC(=O)[C@@H]1CC[C@H]1C(N)=O 1107453470 YUEDAKXWYCKWSW-IKGCNYHESA-N 313.361 -0.029 30 20 DBED C[C@@H](C#N)C(=O)NC[C@]1(C)CN(Cc2nnn(C)n2)CCO1 1107818771 FPHUQNOHWKOLPS-GXFFZTMASA-N 307.358 -0.923 30 20 DBED C#CCCN1CCO[C@@](C)(CNC(=O)[C@H]2CCNC(=O)C2)C1 1107864391 STTUHITZZZUBRN-BBRMVZONSA-N 307.394 -0.257 30 20 DBED C#CCCN1CCO[C@@](C)(CNC(=O)Cc2n[nH]c(C)n2)C1 1107936130 KTAVBGGHWWYEHP-HNNXBMFYSA-N 305.382 -0.114 30 20 DBED C[C@H](CNc1ccc(C#N)cn1)NC(=O)Cn1ncn(C)c1=O 1107996199 KHXINVQEGXGRGN-SNVBAGLBSA-N 315.337 -0.535 30 20 DBED C[C@@H](CNc1ccc(C#N)nn1)NC(=O)COCCN(C)C 1108453603 GDFQPFSPSASIBL-NSHDSACASA-N 306.370 -0.157 30 20 DBED C#CCCN1CC(N2C[C@H](NC(=O)[C@@H](C)COC)CC2=O)C1 1108523263 FWSJNWKMYNEFKT-QWHCGFSZSA-N 307.394 -0.307 30 20 DBED CC(C)(C)OCC(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1 1108536842 JANKRSIVYKKMRT-LLVKDONJSA-N 308.382 -0.274 30 20 DBED C[C@H](CN(C)c1cnc(C#N)cn1)NC(=O)CN1CCOCC1 1108903977 SBXGVJDINSMYOQ-GFCCVEGCSA-N 318.381 -0.379 30 20 DBED COC[C@@H](O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CSCC#N 1108951620 AWNWSMJHIXBDHD-VOAKCMCISA-N 313.423 -0.028 30 20 DBED C[C@@H](CN(C)c1ccc(C#N)cn1)NC(=O)CCNC(N)=O 1108961855 OUHZDTUASVPMSS-JTQLQIEISA-N 304.354 -0.047 30 20 DBED Cc1cc(C#N)nc(NC2(CNC(=O)C(N)=O)CCOCC2)n1 1110999868 LJDKTXNFDOCGEK-UHFFFAOYSA-N 318.337 -0.781 30 20 DBED CO[C@@H](C)C(=O)NC[C@]1(O)CCN(c2cnc(C#N)cn2)C1 1111025848 LDRLTWYHTQJGFC-IINYFYTJSA-N 305.338 -0.559 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@]1(O)CCN(c2ncc(F)cn2)C1 1111097796 GQQJNXWBPFXRLH-IAQYHMDHSA-N 322.340 -0.289 30 20 DBED Cc1cc(N2C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)C#N)C2)nc(CO)n1 1111177132 YSMSMKFFUGUSPJ-DLOVCJGASA-N 319.365 -0.555 30 20 DBED C[C@H]1CN(c2cncc(C#N)n2)CC[C@H]1NC(=O)CNC(N)=O 1112392454 HATGFLKQMHRNDH-GXSJLCMTSA-N 317.353 -0.652 30 20 DBED CO[C@@H](C)C(=O)NC1(CO)CCN(c2cnc(C#N)cn2)CC1 1112651628 SLZLXXMIDVWXSH-NSHDSACASA-N 319.365 -0.169 30 20 DBED Cc1nc(C)c(C(=O)N2CCN(CC(=O)NCC#N)CC2)o1 1112739592 FGJVGODOJOUVQH-UHFFFAOYSA-N 305.338 -0.311 30 20 DBED CN(C)CCC(=O)NC[C@@H]1CN(c2ccncc2C#N)C[C@@H]1O 1112756030 SYBLCEPQYNKTCK-HIFRSBDPSA-N 317.393 -0.182 30 20 DBED C[C@H](NC(N)=O)C(=O)NC[C@H](C)N(C)c1ccc(C#N)nn1 1113577720 JPKQOMIAILNSHE-IUCAKERBSA-N 305.342 -0.654 30 20 DBED C=CCOCCN1CCN(C(=O)CS(=O)(=O)CC)CC1 1113684017 IRWISOLLQBKWHH-UHFFFAOYSA-N 304.412 -0.232 30 20 DBED C[C@@H](CNC(=O)Cn1ncnn1)N(C)c1ncccc1C#N 1113722639 CCKCNYNSFXWOGQ-JTQLQIEISA-N 300.326 -0.419 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)c3cccnc3)[C@H]2C1 1113777062 CYTBUEWDXMYUMY-SPWCGHHHSA-N 312.373 -0.121 30 20 DBED C[C@H](CNC(=O)[C@@H]1CCNC1=O)N(C)c1cnc(C#N)cn1 1113802284 KWODOXTWZIHPOY-MWLCHTKSSA-N 302.338 -0.575 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)c3ncn(C)n3)[C@H]2C1 1114223468 GTIVNTYKQCTJTO-DCAQKATOSA-N 318.381 -0.834 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3ccc(C)nn3)[C@H]2C1 1114246480 UFYODUTVTSQFAY-JYAVWHMHSA-N 313.361 -0.806 30 20 DBED CN(C)[C@H](Cn1cccn1)C(=O)N[C@H]1[C@@H]2CN(CC#N)C[C@@H]21 1114405494 TZGHKQRBTZSBLT-RQJABVFESA-N 302.382 -0.617 30 20 DBED Cc1ncc(C(=O)NC2[C@H]3CN(CC(=O)NCC#N)C[C@H]23)n1C 1114730768 INPATQWDCIRSKI-QWRGUYRKSA-N 316.365 -0.972 30 20 DBED C[C@H](NC(N)=O)C(=O)N[C@H]1C[C@H](CNc2nccnc2C#N)C1 1114767760 AVMVZBQRCSVZDA-GUBZILKMSA-N 317.353 -0.288 30 20 DBED COCCC(=O)NCCOCCN(C)c1ccc(C#N)nn1 1115163464 OROHWNGWQKOCOD-UHFFFAOYSA-N 307.354 -0.046 30 20 DBED C=CCCCN1C[C@H]2C(NC(=O)CS(=O)(=O)NC)[C@@H]2C1 1115253401 AKBANIUVMJEFIN-GHMZBOCLSA-N 301.412 -0.452 30 20 DBED C[C@H](CN(C)C(=O)CCn1cnnn1)N=c1cc[nH]c(C#N)n1 1115808686 LQBMEIDSAMVECL-SNVBAGLBSA-N 315.341 -0.894 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CCC[C@@H](n2ccnn2)C1 1118176398 OODYUIOFXNLBCC-VXGBXAGGSA-N 307.354 -0.241 30 20 DBED CN1C[C@@H](NC(=O)C(=O)NCc2cc(C#N)ccc2F)CC1=O 1119736585 AUZWXBVJFGXARB-NSHDSACASA-N 318.308 -0.340 30 20 DBED CO[C@H](C)CC(=O)NC[C@@H](CO)Nc1nc(C)cc(C#N)n1 1121192513 XNVROAVBJQOVFH-PWSUYJOCSA-N 307.354 -0.029 30 20 DBED N#Cc1ccc(C(=O)NC[C@@H](CO)N=c2cc[nH]c(C#N)n2)[nH]1 1121316874 FOTPWKQGWIRFEI-JTQLQIEISA-N 311.305 -0.827 30 20 DBED Cc1n[nH]c(C)c1C(=O)NC[C@@H](CO)Nc1cncc(C#N)n1 1121920074 GVBHWEQDNKFWKK-NSHDSACASA-N 315.337 -0.109 30 20 DBED COCC(C)(C)C(=O)NC[C@@H](CO)Nc1ccc(C#N)nn1 1122229589 GRVZRDAPTNCADE-NSHDSACASA-N 307.354 -0.090 30 20 DBED C[C@H]1CCN(CC(=O)NC[C@@H](CO)Nc2cncc(C#N)n2)C1 1122526859 MSHIOSCYFUTVMH-AAEUAGOBSA-N 318.381 -0.421 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CCCN(c2nccnc2C#N)[C@H]1C 1123537138 FSKPIZNYCCYCOY-WDEREUQCSA-N 316.365 -0.042 30 20 DBED N#Cc1cncc(NC[C@@H]2CC[C@@H](NC(=O)CNC(N)=O)C2)n1 1123718907 JOQQRDSIRFTQFN-NXEZZACHSA-N 317.353 -0.287 30 20 DBED CN(C[C@H](O)CNc1cncc(C#N)n1)C(=O)CC1(O)CCC1 1124283776 QASMBBMXJXUYKX-GFCCVEGCSA-N 319.365 -0.115 30 20 DBED COC[C@@H](OC)C(=O)N(C)C[C@@H](O)CN=c1cc[nH]cc1C#N 1124720790 DAEIBKGFIVMJHR-GXTWGEPZSA-N 322.365 -0.732 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)C[C@H]1CCC(=O)NC1 1129270049 SNTWUBZOKDGGFV-NWDGAFQWSA-N 310.398 -0.701 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1cn(C)nc1COC 1130445565 QPLUGGQYZBPLCX-UHFFFAOYSA-N 309.370 -0.812 30 20 DBED C#CCCN1CCNC(=O)CCN(C(=O)[C@H](C)OCC#C)CC1 1131364860 ZVXAGSDGKBMSDI-HNNXBMFYSA-N 319.405 -0.302 30 20 DBED CC(=O)N(C)CC(=O)N1C[C@@H](C)O[C@]2(CCN(CC#N)C2)C1 1131639322 UDKYTJVBEVQWKX-DOMZBBRYSA-N 308.382 -0.320 30 20 DBED C[C@H]1CC[C@H](NC(=O)c2ccn(C)n2)CN1CC(=O)NCC#N 1132490236 SASCJYGTINAFTH-RYUDHWBXSA-N 318.381 -0.357 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)Cn2ccnc2)CC[C@H]1C 1132532302 ASICKMHRJLHKJL-KGLIPLIRSA-N 317.393 -0.398 30 20 DBED C[C@@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1CNCC(=O)NC(N)=O 1132819443 PCSHHICCOWIABW-YPMHNXCESA-N 320.393 -0.331 30 20 DBED C=CCNC[C@H]1CN(C(=O)CN2CCNC(=O)C2)CC[C@@H]1C 1133030479 CRKRXUMMWHTOQW-KBPBESRZSA-N 308.426 -0.322 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)CC(=O)N(C)C 1135636388 TZTWQTSPROAXTL-VXGBXAGGSA-N 310.398 -0.913 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)C(=O)NCC2CC2)C1=O 1135906674 CYNSRRAEXIIDRK-LBPRGKRZSA-N 308.382 -0.995 30 20 DBED C=CCNC(=O)CN1CCC2(C1)CN(C(=O)c1cc[nH]n1)C2 1147026723 ZOUDGFWKLSYNOA-UHFFFAOYSA-N 303.366 -0.140 30 20 DBED C#CCOc1ncccc1C(=O)NCCNCC(=O)N(C)CC 1148302504 PCXACEACODYNEE-UHFFFAOYSA-N 318.377 -0.109 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1cc(C(N)=O)cs1 1152604146 VWNUQHJNQRHURD-SECBINFHSA-N 322.390 -0.696 30 20 DBED C=CCCOCC(=O)NCCNCc1cc(=O)n2nccc2[nH]1 1153085507 DETYSZWTKBCIMR-UHFFFAOYSA-N 319.365 -0.179 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)CC[C@@]1(C)CCC(=O)N1 1153905985 MXMNZRPVPWNPDN-WBMJQRKESA-N 322.409 -0.721 30 20 DBED COCC#CCNCCCNC(=O)CN1C(=O)CC(C)(C)C1=O 1158121773 BJVREZZOHRZYRD-UHFFFAOYSA-N 323.393 -0.483 30 20 DBED C#CCNC(=O)CNCCCNC(=O)C(C)(C)c1cnc[nH]1 1171251712 NSLRIAGLMJNZIG-UHFFFAOYSA-N 305.382 -0.467 30 20 DBED C=CCN(CC=C)C(=O)CNCCCNC(=O)[C@@H]1CCC(=O)N1 1171620939 NBRVHOBVGCXARN-ZDUSSCGKSA-N 322.409 -0.439 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@@H](C)CS(C)(=O)=O 1177090319 KDMLUEIDTRFADW-NSHDSACASA-N 319.427 -0.935 30 20 DBED C=CCNC(=O)NC(=O)CN[C@H]1CCN(C(=O)[C@@H](C)C#N)[C@H]1C 1178366655 KXQSSHCUVIBIHS-SRVKXCTJSA-N 321.381 -0.263 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](N[C@H](C)C(=O)NC2CC2)C1 1182523205 XTZXQTRFGOZFGF-TZMCWYRMSA-N 307.394 -0.116 30 20 DBED C#CCNC[C@@H]1CCN(C(=O)CS(=O)(=O)NC)C[C@@H]1C 1185709980 PFUBCKZEJWXLSL-RYUDHWBXSA-N 301.412 -0.757 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)COc2cccnc2)C1 1186355505 CDJQFUCRGIWCAV-CYBMUJFWSA-N 316.361 -0.600 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@@H](NCC(=O)NC(N)=O)C2)cn1 1187207782 GRPFSDFSKIMMNJ-GFCCVEGCSA-N 315.333 -0.938 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)[C@@H]2CN(C(C)=O)CCO2)C1 1187516511 UWCWRHITCPKWHD-CABCVRRESA-N 323.393 -0.926 30 20 DBED Cc1nc(C(=O)N2CC[C@H]3CN(CC(=O)NCC#N)C[C@H]32)co1 1187673787 HWUPDVYKZWIWER-WCQYABFASA-N 317.349 -0.231 30 20 DBED CC#CCN1C[C@@H]2CCN(C(=O)CCNC(=O)COC)[C@@H]2C1 1188118657 KGAQTJWBFXOXGU-UONOGXRCSA-N 307.394 -0.305 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(Cc2ncnn2CC)C[C@H]1O 1192504257 ZEHYTNFOWHYFOA-CHWSQXEVSA-N 305.382 -0.237 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)[C@H](C)NC(=O)CC(F)(F)F)C1 1193173696 CQMXHTJLQZJYDO-IVZWLZJFSA-N 323.315 -0.209 30 20 DBED C=C[C@H](CC)CC(=O)N[C@@H]1CN(CCS(C)(=O)=O)C[C@H]1O 1195554746 OGWJKGQHJYKTAI-JHJVBQTASA-N 318.439 -0.205 30 20 DBED CCN(C)CCC(=O)N1CCCN(CC(=O)NCC#N)CC1 1197708202 ZYILKQCBXWOBEY-UHFFFAOYSA-N 309.414 -0.498 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@H]1CN(C(=O)C(F)F)CCCO1 1199634714 VWWDZSXWCQRJLX-QWRGUYRKSA-N 317.336 -0.404 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(NC[C@H](O)Cn2cccn2)CC1 1199870850 YPFMFLPYSAMKNU-JSGCOSHPSA-N 305.382 -0.016 30 20 DBED CC#CCN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)Cn1c(O)nnc1O)C2 1204926682 WSXPFCSQOWAFCD-IJLUTSLNSA-N 319.365 -0.318 30 20 DBED CCOCCNC(=O)CN[C@@H]1CCCN(C(=O)[C@@H](C)C#N)C1 1207689189 WQCDOWZUBRNHKO-QWHCGFSZSA-N 310.398 -0.121 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@@H](NCc2nccn2C)C1 1207870342 WOJOPWSZRHLIOU-CYBMUJFWSA-N 317.393 -0.360 30 20 DBED COc1cc(CCC(=O)N[C@@H]2CN(CC#N)C[C@H]2OC)on1 1212342635 KFDWVRLZTSOJCM-VXGBXAGGSA-N 308.338 -0.045 30 20 DBED CC#CCN1C[C@@H](NC(=O)[C@@]2(COC)CCOC2)[C@H](OC)C1 1213226206 GEFKAYWBZJMTDS-IIAWOOMASA-N 310.394 -0.122 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)Cc2cnc[nH]2)[C@H](OC)C1 1213489510 VTOIUTDGBVKVCT-CHWSQXEVSA-N 321.381 -0.930 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cnco1 1218389479 QAKLJNCPSCTCIQ-WCQYABFASA-N 320.349 -0.498 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CCNC(=O)C1CCC1 1218771631 JKUYFLSVXVKAKQ-LSDHHAIUSA-N 319.405 -0.162 30 20 DBED CC[C@@H](CN1C[C@H](O)[C@H](NC(=O)CSCC#N)C1)OC 1219218705 WCXLNFATGLXYFT-TUAOUCFPSA-N 301.412 -0.171 30 20 DBED CCC[C@H](C)CC(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@@H]1O 1219340403 CKNLLHMZQXASNS-XQQFMLRXSA-N 310.398 -0.386 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1CN(CCCF)C[C@@H]1O 1220491027 YQQDCSPWVUPIDA-MJBXVCDLSA-N 315.389 -0.022 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)CNC(=O)c2ccccn2)C1 1221046470 ODGSRLQJLUBKGK-KGLIPLIRSA-N 318.377 -0.451 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC(NC(=O)CC(=O)NCC)CC1 1227006718 SQSRXUOZDHJBDR-GFCCVEGCSA-N 322.409 -0.769 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)Cc1cnoc1 1228144639 MZHVCIQLUZQNFF-CHWSQXEVSA-N 319.365 -0.126 30 20 DBED CN(C)CCCCC(=O)NC1CCN(CC(=O)NCC#N)CC1 1230091254 UKUFXCDNKAJARG-UHFFFAOYSA-N 323.441 -0.061 30 20 DBED CCOCCNC(=O)CN1CC[C@@H]1CN(C)C(=O)[C@H](C)C#N 1231246852 INFWEEVLNSNTRX-CHWSQXEVSA-N 310.398 -0.169 30 20 DBED C=CCNC(=O)CN(C)CCCNC(=O)c1cc[n+]([O-])cc1 1233572296 ZUQVMXUQUOQQGB-UHFFFAOYSA-N 306.366 -0.326 30 20 DBED C#CCNC(=O)CC(=O)N(C)C[C@@H]1CCN1CC(=O)NCCC 1233810962 SSFBFVMOQZJOCD-ZDUSSCGKSA-N 322.409 -0.815 30 20 DBED CO[C@H](C(=O)N(C)C[C@H]1CCN1CC(=O)NCC#N)C1CC1 1234049981 NEQLHRPCQMFWBT-OCCSQVGLSA-N 308.382 -0.416 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N(C)CC(=O)N1CCCC1 1261629467 HKFAJEKUGRNEBU-UHFFFAOYSA-N 323.393 -0.435 30 20 DBED C#CCN(CC1CC1)S(=O)(=O)CCNS(=O)(=O)CC 1322962621 WYOIOJPMRJPXOG-UHFFFAOYSA-N 308.425 -0.399 30 20 DBED C#CCCCCNC(=O)C(=O)N1CCN(CCOC)C(=O)C1 1326757734 PMWJDZYPKANFHF-UHFFFAOYSA-N 309.366 -0.777 30 20 DBED O=C(NCC#CCO)[C@H]1CC[C@H](C(=O)NCC#CCO)CC1 1326766855 FQVJEZZSUMDYAQ-HDJSIYSDSA-N 306.362 -0.983 30 20 DBED CN(C)C(=O)N1CCN(C(=O)C(=O)N(C)CC(C)(C)C#N)CC1 1327003334 PHRGSKQABBZKAM-UHFFFAOYSA-N 323.397 -0.180 30 20 DBED C=CCN(C(=O)C(=O)NCCNC(=O)C1CC1)[C@@H](C)COC 1327856681 WSMVMCLWAHQUIY-NSHDSACASA-N 311.382 -0.322 30 20 DBED C#CCSCCNC(=O)C(=O)NCCCNC(=O)C(C)C 1329184017 SYCDAXCKAYVHNT-UHFFFAOYSA-N 313.423 -0.253 30 20 DBED C#CCN(C)c1nnc(Cn2cc(CCO)nn2)n1CC=C 1339923620 JRTPINJKYMUREV-UHFFFAOYSA-N 301.354 -0.292 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(Cc2nnc3n2CCCC3)C1 1368291260 SMEXPVPJDHHCSF-LLVKDONJSA-N 318.381 -0.563 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@@H](O)CNC(=O)Cc2ccoc2)c1 1376569067 KZECGXVUEABDCF-LBPRGKRZSA-N 316.317 -0.071 30 20 DBED C[C@H](CNC(=O)Cn1cnnn1)NCc1ccc(C#N)cc1F 1376685935 DRELKBGFXOBERJ-SNVBAGLBSA-N 317.328 -0.022 30 20 DBED CCC[C@H](C(=O)N(C)CCNC(=O)[C@@H](C)C#N)S(N)(=O)=O 1398015384 RAUHSLPFBPEWMW-VHSXEESVSA-N 318.399 -0.822 30 20 DBED N#Cc1cc(C(=O)NC[C@@H](O)CNC(=O)c2cscn2)c[nH]1 1399793712 JZXYXSNQGHFSNT-SNVBAGLBSA-N 319.346 -0.136 30 20 DBED CNC(=O)NC(=O)[C@@H](C)NCCN(C)C(=O)c1cc(C#N)c[nH]1 1400064880 ZPDGWQRGIGCGGX-SECBINFHSA-N 320.353 -0.608 30 20 DBED COC[C@H](O)CN1CC[C@@](O)(CNC(=O)c2cc(C#N)c[nH]2)C1 1402278332 VVOHZMHPMZEMCN-IUODEOHRSA-N 322.365 -0.940 30 20 DBED C[C@H](C#N)C(=O)N(C)CC(C)(C)CNC(=O)[C@H]1C[C@H]1C(N)=O 1411467701 RRGQDPKUMOADSQ-MXWKQRLJSA-N 308.382 -0.132 30 20 DBED C[C@@H](CNC(=O)[C@@H](C)C#N)NC(=O)COCc1nncn1C 1415256618 JJUZEMFHKVQJAC-UWVGGRQHSA-N 308.342 -0.888 30 20 DBED N#Cc1cn(CC(=O)Nc2cccc(CO)c2)c(=O)nc1O 1433590658 HDHNSYYEHIRONB-UHFFFAOYSA-N 300.274 -0.048 30 20 DBED CCn1nc(C(=O)NC[C@@H](C)N(C)C(=O)[C@@H](C)C#N)ccc1=O 1442886430 ZFMIYYSKAOXFEY-WDEREUQCSA-N 319.365 0.000 30 20 DBED CO[C@@H](C)C(=O)NCc1nc(O)cc(CNC(=O)[C@H](C)C#N)n1 1446056206 QLPKTLBDLBRTGR-BDAKNGLRSA-N 321.337 -0.391 30 20 DBED CS[C@@H](C)C(=O)NC[C@@H](O)CNC(=O)c1cc(C#N)c[nH]1 1452289352 OOXKFPRKZNQPMA-WCBMZHEXSA-N 310.379 -0.155 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1C[C@@H](NC(=O)CS(C)(=O)=O)C1 1452979965 PRCFXHRLXCMILV-BBBLOLIVSA-N 301.368 -0.798 30 20 DBED C=C(Cl)CN1CC(O)(CNC(=O)c2cc(C(N)=O)c[nH]2)C1 1484304546 WREYGFLSGCJPCJ-UHFFFAOYSA-N 312.757 -0.357 30 20 DBED COc1c(C(=O)NC[C@@H](O)CNC(=O)[C@H](C)C#N)c(C)nn1C 1501605530 NPKIRPBZNDNVRQ-SCZZXKLOSA-N 323.353 -0.896 30 20 DBED N#Cc1ncc(NCC[C@@]2(O)CCCOC2)nc1-c1nn[nH]n1 1570917602 BFZNTGNIZMOWNI-ZDUSSCGKSA-N 316.325 -0.128 30 20 DBED Cc1c(C#N)c(=O)n(Cc2cccc(-c3nn[nH]n3)c2)c(=O)n1C 1570931747 MSEJHJWMHRSPIZ-UHFFFAOYSA-N 323.316 -0.045 30 20 DBED C[C@@]1(C(=O)N2CCN(c3cnccc3C#N)CC2)C[C@H](O)CN1 1576333557 LYFNBXKLLGZQOE-BBRMVZONSA-N 315.377 -0.285 30 20 DBED C[S@@](=O)C1(C(=O)NCC2(C#N)CCOCC2)CCNCC1 1579354978 OYAVSHMADYAMGH-OAQYLSRUSA-N 313.423 -0.076 30 20 DBED N#Cc1nc(NCC2(CO)CCOCC2)cnc1-c1nn[nH]n1 1581880811 WBBPUXBYRISWFV-UHFFFAOYSA-N 316.325 -0.271 30 20 DBED C=CCNC(=O)Cn1cc(CN2CCC(C(=O)O)CC2)nn1 1588465572 UJRCCWFOPDYWTP-UHFFFAOYSA-N 307.354 -0.123 30 20 DBED C[C@H](C(=O)OC[C@H]1CCCN1CC(=O)O)n1cnc(C#N)n1 1588606392 DYMBMFDOAYUOPN-NXEZZACHSA-N 307.310 -0.197 30 20 DBED C=CCNC(=O)CN1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1C[C@H]1C(=O)O 1588839241 PWBDKNLSQYNKHW-QNWHQSFQSA-N 321.377 -0.316 30 20 DBED CCN(CCC#N)S(=O)(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O 1596299793 BSXNXDUYXIZKKJ-IUCAKERBSA-N 320.371 -0.966 30 20 DBED CN(CCN(C)c1nccnc1C#N)C(=O)[C@H]1C[C@@H]1C(=O)O 1598487569 WHGSPGLBHSMMFB-UWVGGRQHSA-N 303.322 -0.036 30 20 DBED N#Cc1ccc(S(=O)(=O)N(CCO)CCO)c(C(=O)O)c1 1601110738 JKTSOOWJWMBVEN-UHFFFAOYSA-N 314.319 -0.768 30 20 DBED N#Cc1nc(=N[C@H]2C[C@@H](CNC(=O)[C@H]3C[C@@H]3C(=O)O)C2)cc[nH]1 1601134045 FNWKPTWQOFIVQJ-VLEAKVRGSA-N 315.333 -0.202 30 20 DBED C[C@@](C#N)(CC(=O)O)C(=O)N1CCC[C@@]2(C1)NC(=O)NC2=O 1602778441 ISJONTJHCABPIA-STQMWFEESA-N 308.294 -0.808 30 20 DBED N#Cc1cnn(C(=O)CNc2ccc(-c3nn[nH]n3)cn2)c1N 1606388384 ADVXJGXXCKQJGF-UHFFFAOYSA-N 310.281 -0.336 30 20 DBED N#Cc1ccc(O[C@@H]2CCN(CC(=O)NCC(=O)O)C2)nc1 1608209011 HYQXGRGYEMVEQL-LLVKDONJSA-N 304.306 -0.393 30 20 DBED CC(C)(C#N)CCN1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 1645658720 BSZSXHYVEXAKMJ-STQMWFEESA-N 315.439 -0.298 30 20 DBED CCN(C[C@@H](C)C#N)C(=O)COC(=O)COCc1nncn1C 1645803021 ONTQMXVGELEWGB-NSHDSACASA-N 323.353 -0.117 30 20 DBED C=CCNC(=O)CN1CCC(N(C)C(=O)[C@H]2CCNC2=O)CC1 1752304944 XBFQNTYKJIORIF-ZDUSSCGKSA-N 322.409 -0.653 30 20 DBED C[C@@H](C#N)C(=O)NCCCN1CCN([C@@H]2CCNC2=O)CC1 1752341717 NPWLXMWJWPLRQU-QWHCGFSZSA-N 307.398 -0.842 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2C[C@H](NCC(=O)NC(N)=O)C2)cc1 1752652291 JDMPUDMQZLATOZ-JOCQHMNTSA-N 314.345 -0.287 30 20 DBED CC#CCN(CC)CCNC(=O)Cn1[nH]cc2c(=O)ncnc1-2 1753092083 QHMWDCQDYSDGLH-UHFFFAOYSA-N 316.365 -0.467 30 20 DBED C=CCNC(=O)CN1CC[C@@H](CNC(=O)c2cnc(O)n2C)C1 1753131505 WUXYSAIAMMMXLG-NSHDSACASA-N 321.381 -0.520 30 20 DBED C#CCCN1CC[C@@H](N(CC)C(=O)CN2CC(=O)N(C)C2=O)C1 1753460888 BJYBQUKPGCJPMT-CYBMUJFWSA-N 320.393 -0.174 30 20 DBED C[C@@H](CNCCS(C)(=O)=O)N(C)C(=O)c1ccc(C#N)[nH]1 1753685420 LOWCKTVLTDFRBW-JTQLQIEISA-N 312.395 -0.019 30 20 DBED C=CCNC(=O)CN(C)C[C@H](C)NC(=O)[C@H]1CCCC(=O)N1 1754316286 NJLOEOMWGUFNPG-NWDGAFQWSA-N 310.398 -0.606 30 20 DBED CS(=O)(=O)NCCC(=O)N1CC[C@]2(CCN(CC#N)C2)C1 1754565303 NKOJWKOOPSCWAZ-ZDUSSCGKSA-N 314.411 -0.626 30 20 DBED COCC#CCN1CCC(C)(NC(=O)CN2CCOCC2)CC1 1754626091 QESMYPQWADIVSQ-UHFFFAOYSA-N 323.437 -0.061 30 20 DBED C=CCN(CC=C)C(=O)CNC[C@@]1(C)CCN(C(=O)C(N)=O)C1 1754704136 DOFUIXOZOIWSBB-MRXNPFEDSA-N 322.409 -0.500 30 20 DBED C=CCN1CC(O)(CNC(=O)C2(NC(N)=O)CCCCC2)C1 1754774946 BVEHWGXDUNIBHT-UHFFFAOYSA-N 310.398 -0.294 30 20 DBED C#CCNC(=O)CN1C[C@H]2CN(C(=O)[C@H]3CO[C@@H](C)C3)C[C@H]2C1 1754845485 HKEOAKBPMOOUKB-LJISPDSOSA-N 319.405 -0.449 30 20 DBED CC#CCN1CC2(CC[C@@H](CNC(=O)[C@H](C)NC(C)=O)O2)C1 1755052640 FTZCIHXENYOMTM-JSGCOSHPSA-N 307.394 -0.116 30 20 DBED Cn1nnnc1CNC1(C)CCN(C(=O)CSCC#N)CC1 1755125971 MTXANLIBQICQLM-UHFFFAOYSA-N 323.426 -0.062 30 20 DBED C#CCNC1(C)CCN(C(=O)CNS(=O)(=O)CC)CC1 1755129894 XBNQEXKGXOCOBQ-UHFFFAOYSA-N 301.412 -0.470 30 20 DBED C#CCN1CCC(CO)(NC(=O)c2cn(CCOC)nn2)CC1 1755177271 KFLDSMDZZBLFET-UHFFFAOYSA-N 321.381 -0.886 30 20 DBED COCC#CCN1CC(CCO)(NC(=O)Cc2cc[nH]n2)C1 1755332229 STISJOHXNHBIFT-UHFFFAOYSA-N 306.366 -0.845 30 20 DBED C=CCCN[C@@H](C)CN(C)C(=O)CCn1cc[nH]c(=O)c1=O 1755612168 CVKSEOMMSPZHDS-LBPRGKRZSA-N 308.382 -0.061 30 20 DBED C=CCNC(=O)CN[C@H](CO)CNC(=O)c1ccnc(F)c1 1755622590 KOSQKTRYPCFRBL-NSHDSACASA-N 310.329 -0.797 30 20 DBED COCC#CCN[C@@H](CO)CNC(=O)c1cnc2nccn2c1 1755632255 CKRNZAOZHHXTPI-CYBMUJFWSA-N 317.349 -0.941 30 20 DBED C#CCCN[C@H](CO)CNC(=O)c1cccc(-n2cnnn2)c1 1755647004 VWOYCOYMDVQQNV-ZDUSSCGKSA-N 314.349 -0.634 30 20 DBED C=C(C)CNC[C@@H](O)CN(C)C(=O)[C@@H](C)N1C(=O)CCC1=O 1755780772 MDJOUTHZHDTMMY-VXGBXAGGSA-N 311.382 -0.491 30 20 DBED C=C[C@@](C)(O)CC(=O)N(C)C1CCC(NC(=O)C(N)=O)CC1 1755982085 GBLAIHUAUKDPRO-QKFMDRJYSA-N 311.382 -0.315 30 20 DBED COCCN(CCNC(=O)[C@@H](C)C#N)C(=O)[C@H]1CCN(C)C1=O 1756729273 NRRWMFQKNQWFED-RYUDHWBXSA-N 324.381 -0.784 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H]2CCN(C(=O)CC3CC3)[C@@H]2C1 1756941891 LCPSZSLPZPELLF-UONOGXRCSA-N 317.389 -0.015 30 20 DBED N#C[C@H]1CN(c2cc(N3CCO[C@@H](C#N)C3)ncn2)CCO1 1771658560 UCXAEALAJVQLCN-RYUDHWBXSA-N 300.322 -0.066 30 20 DBED C=CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1ccnn1 1795894372 LNLAASFBONSYLK-JJLQDPRZSA-N 319.365 -0.556 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C)on1)C2 1800451125 NZHVGOYFHXMWME-GNXNZQSNSA-N 303.318 -0.181 30 20 DBED C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](COC)NC(C)=O)C2 1801599741 NNBGBFBZNXKPFR-XJFOESAGSA-N 321.377 -0.591 30 20 DBED COCC(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834759691 ABAWFUKAOCKMJT-AWEZNQCLSA-N 311.338 -0.997 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1841611976 VDFGGFWWMPWLAR-LBPRGKRZSA-N 320.345 -0.131 30 20 DBED O=C(C#CC1CC1)N1CC2(CCCN2C(=O)Cn2cncn2)C1 1843079738 ALDZECDIFCNTHE-UHFFFAOYSA-N 313.361 -0.105 30 20 DBED C[C@@H](S)C(=O)N1CCCC12CN(C(=O)C1=NNC(=O)C1)C2 1846369165 QEOAIVTYILTVPI-MRVPVSSYSA-N 310.379 -0.616 30 20 DBED CN(CCC#N)S(=O)(=O)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 49333983 DZYUUJIOHMDZDG-LLVKDONJSA-N 321.424 -0.272 30 20 DBED Cn1c(NCc2ccc(C(N)=O)cc2)c(C#N)c(=O)n(C)c1=O 54359400 MYUXRPGWYDGIAA-UHFFFAOYSA-N 313.317 -0.333 30 20 DBED CC(C)[C@@H](C#N)OC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 80391352 UQKFDVBVVCXXFV-SECBINFHSA-N 319.321 -0.475 30 20 DBED C#C[C@H](C)NC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 186074517 LZYKLLYRRPVSGV-LBPRGKRZSA-N 306.366 -0.516 30 20 DBED Cc1cc(NC(=O)CO/N=C(\N)CN2CCOCC2)n(C)n1 267892616 URXBRNGMSKJIQT-UHFFFAOYSA-N 310.358 -0.712 30 20 DBED COCCOCCNC(=O)C(=O)NCc1cccc(C#N)c1 284021447 OFCUQGVDOFKUAS-UHFFFAOYSA-N 305.334 -0.046 30 20 DBED C[C@H]1CN(C(=O)C(=O)Nc2ccc(C#N)c(F)c2)CC(=O)N1 296189563 MXVKHPUPVXQTLP-QMMMGPOBSA-N 304.281 -0.017 30 20 DBED CC(C)(C/N=C(/O)NC[C@@]1(O)CCOC1)N1CCOCC1 328863164 VUNAMINQSFXGOB-AWEZNQCLSA-N 301.387 -0.248 30 20 DBED CN(C(=O)C/N=C(/O)c1ccc2c(c1)OCO2)[C@@H]1COC[C@H]1O 329395572 UDEFOQPXFNZMFB-GHMZBOCLSA-N 322.317 -0.062 30 20 DBED N#Cc1ncn(CC(=O)N2CSC[C@H]2C(=O)N2CCCC2)n1 330290874 CORQMRGDFOZJLY-JTQLQIEISA-N 320.378 -0.326 30 20 DBED C/N=C(/O)NCC(=O)N1CCN(c2ccnc(N(C)C)n2)CC1 330530770 MCGHTOVSRAYZHL-UHFFFAOYSA-N 321.385 -0.675 30 20 DBED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCO[C@@H](CO)C2)CC1 330650857 PPEACRDONOGEOM-HUUCEWRRSA-N 324.425 -0.628 30 20 DBED COC(=O)c1cn(CC/N=C(/O)N2CCC(C)(O)CC2)nn1 330761841 NQEVGEDZBWWQJL-UHFFFAOYSA-N 311.342 -0.175 30 20 DBED C[C@H](C[S@@](C)=O)N(C)S(=O)(=O)N1CCO[C@@H](C#N)C1 336951597 UWUUHLVWKYBZFM-AUSHCKSDSA-N 309.413 -0.846 30 20 DBED COC(=O)[C@@H]1CC[C@H](NC(=O)NCCn2cnc(C#N)n2)C1 346328887 TUXMKQNHCSDUNX-ZJUUUORDSA-N 306.326 -0.209 30 20 DBED C[C@@H]1COCC[C@H]1CNS(=O)(=O)N1CCO[C@@H](C#N)C1 352346052 PYULIKOIRJOLAO-WOPDTQHZSA-N 303.384 -0.282 30 20 DBED C=C(C)COCCNC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 354041320 HYXVBFBSFYDISK-HBJVGIJOSA-N 322.361 -0.142 30 20 DBED C=CCN(C)C(=O)C(=O)NCCCN1CCC[C@H](C(N)=O)C1 358092720 XIXFALCEKJWSSK-LBPRGKRZSA-N 310.398 -0.666 30 20 DBED CCOC(=O)[C@@](C)(O)CNC(=O)Nc1ccn(CCC#N)n1 360044397 DWNWSWLPTGBQFW-ZDUSSCGKSA-N 309.326 0.232 30 20 DBED C[C@H](C(=O)N1CCOC[C@H]1C#N)N1C(=O)NC2(CCCC2)C1=O 362907224 RKNJRGGZFDAMFY-GHMZBOCLSA-N 320.349 -0.010 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@@H]1CCN(C(C)=O)C1 407953462 LSIKOLPIYWQSDM-CMPLNLGQSA-N 302.400 -0.077 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N1CCC[C@@H](CC(N)=O)C1 407959689 XAUPUQOPNITAHF-MNOVXSKESA-N 302.400 -0.090 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)C2SCCS2)CC1 491119496 ITXVSUYDIXHVQZ-UHFFFAOYSA-N 313.448 -0.314 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CCO[C@H]2C(C)C)CC1 491179290 DTXQEBFPWMSKKY-ZBFHGGJFSA-N 321.421 -0.059 30 20 DBED N#Cc1ccc(NCC(=O)NC[C@]2(O)CN3CCC2CC3)nc1 515867755 YGQNROAYBBMQBP-INIZCTEOSA-N 315.377 -0.062 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N1C[C@@](C)(CO)[C@@](C)(CO)C1 528542367 RRKMQMUKIQRRHQ-UPJWGTAASA-N 319.427 -0.222 30 20 DBED Cc1nn(C)c(N2CCN(c3nccn4nnnc34)CC2)c1C#N 530359796 MVCZASBXPMPPHP-UHFFFAOYSA-N 324.352 -0.241 30 20 DBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)CN1CCOCC1 540453866 JYVSQIGGMLBRRU-UHFFFAOYSA-N 306.370 -0.413 30 20 DBED N#Cc1cnccc1N1CCN(C(=O)CN2CCOCC2)CC1 547361134 IGFJGMCOTKZHFU-UHFFFAOYSA-N 315.377 -0.066 30 20 DBED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)CN(C)S(=O)(=O)N(C)C 566349166 NFICNMNHRMZKNI-DGCLKSJQSA-N 319.427 -0.178 30 20 DBED C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 567917586 WFRMTRBQABBRFR-RNJOBUHISA-N 308.382 -0.469 30 20 DBED C[C@@H]1CN(CCNC(=O)C(=O)Nc2cccc(C#N)n2)CCO1 572999550 GUAPKAXLLPTEGK-LLVKDONJSA-N 317.349 -0.271 30 20 DBED N#CC[C@]1(O)CCN(CC(=O)NC(=O)NCc2ccco2)C1 592145244 PKESUKXTYBSETK-AWEZNQCLSA-N 306.322 -0.044 30 20 DBED CC[C@@H]1CN(S(=O)(=O)N2CCO[C@H](C#N)C2)[C@H](C)CO1 593641665 IZIZFUBLSMLLNX-IJLUTSLNSA-N 303.384 -0.045 30 20 DBED CO[C@H]1CS(=O)(=O)C[C@H]1NS(=O)(=O)CC1(C#N)CC1 594823058 QPYXFAMNBDZLFI-BDAKNGLRSA-N 308.381 -0.978 30 20 DBED C[C@H]1CCN(C(=O)C(=O)N2CCN(CCC#N)CC2)[C@H]1CO 601461331 AZPWEWADDUMBAC-STQMWFEESA-N 308.382 -0.726 30 20 DBED CC#CCNCc1cn(CC(=O)N(C)CC(=O)OCC)nn1 603216473 DRUGZLNXGVKJAF-UHFFFAOYSA-N 307.354 -0.588 30 20 DBED CC#CC[C@@H](CO)NC(=O)c1ccc2c(c1)NC(=O)CNC2=O 649181215 VXNGSJYNHZBKKR-NSHDSACASA-N 315.329 -0.127 30 20 DBED CN(C)C(=S)NN=Cc1nc2c(c(O)nc(=O)n2C)n1C 731557902 BRSPUFDNOARBMA-UHFFFAOYSA-N 309.355 -0.857 30 20 DBED CC(=NNCCS(C)(=O)=O)c1cccc(S(N)(=O)=O)c1 733203845 BWYQMBNCJWRWFE-UHFFFAOYSA-N 319.408 -0.308 30 20 DBED C#C[C@@H](NC(=O)NCCN1CCCS1(=O)=O)[C@H]1CCCO1 773258070 BGYPZRAAZZHGPJ-VXGBXAGGSA-N 315.395 -0.498 30 20 DBED Cc1nn(C)c(N2CCN(CCS(C)(=O)=O)CC2)c1C#N 788274886 FUFKRNOFNGVTGR-UHFFFAOYSA-N 311.411 -0.233 30 20 DBED C#CCSCCNC(=O)C1CCN(S(=O)(=O)NC)CC1 796596284 SINCANZMWNEJCK-UHFFFAOYSA-N 319.452 -0.355 30 20 DBED C=CCNC(=O)CNC(=O)c1cc(S(N)(=O)=O)ccc1F 798337217 FTUVLZPSOJFTIB-UHFFFAOYSA-N 315.326 -0.495 30 20 DBED CC(C)OCCON=Cc1c(N(C)C)n(C)c(=O)n(C)c1=O 812237578 GZKBGRBHUDKLSH-UHFFFAOYSA-N 312.370 -0.075 30 20 DBED C[C@@](C#N)(CC(=O)O)C(=O)N[C@@H]1CCN(C2CCOCC2)C1=O 819820982 BVCLBXFVDGTEGY-ABAIWWIYSA-N 323.349 -0.113 30 20 DBED Nc1ncc(C=NNc2nccc(N3CCOCC3)n2)c(N)n1 842526650 ASRLVQHBTYLJIW-UHFFFAOYSA-N 315.341 -0.286 30 20 DBED CS(=O)(=O)Nc1ccccc1C(=O)N[C@@H]1CNC[C@H]1C#N 843459675 GKDUNTUGNDXWCZ-BXKDBHETSA-N 308.363 -0.101 30 20 DBED Cc1cc(C(=O)N[C@@H]2CNC[C@H]2C#N)c2c(O)nn(C)c2n1 844194955 OGVCBWPDYWENMF-PSASIEDQSA-N 300.322 -0.176 30 20 DBED C#CCOCCOC(=O)CCn1cc(S(N)(=O)=O)cn1 853896515 YEWRGVBKSGXQDR-UHFFFAOYSA-N 301.324 -0.886 30 20 DBED Nc1ncnc2c1ncn2CCC(=O)N[C@H]1CCCN(O)C1=O 854648612 GLCSBYLOZYXKIR-QMMMGPOBSA-N 319.325 -0.705 30 20 DBED CC(C)(C)OC(=O)N[C@H](CO)C(=O)N[C@@H]1CCCN(O)C1=O 861826862 AYUYKLQBLQRQDF-RKDXNWHRSA-N 317.342 -0.632 30 20 DBED N#CCOc1ccc(CC(=O)NN2CCS(=O)(=O)CC2)cc1 862735713 NVPNBSDPVFTSGU-UHFFFAOYSA-N 323.374 -0.107 30 20 DBED C#CCN1CCC[C@H](NC(=O)N2C[C@@H](O)C[C@H](C(=O)OC)C2)C1 890363554 PHFZIQKIQVHSIY-IHRRRGAJSA-N 323.393 -0.351 30 20 DBED C#CC1(O)CN(C(=O)NCCNC(=O)c2ccc(OC)cc2)C1 892122246 XRGPVFAHFXBGCB-UHFFFAOYSA-N 317.345 -0.186 30 20 DBED C#CCN(C)C(=O)[C@@H](CC(N)=O)NC(=O)Cc1cccc(F)c1 907682789 SNALBFMXUFSOBP-CYBMUJFWSA-N 319.336 -0.180 30 20 DBED C#CCN(C(=O)NCCS(=O)(=O)N1CCOCC1)C(C)C 915500709 QDNZRVSMOVOVJC-UHFFFAOYSA-N 317.411 -0.298 30 20 DBED C=CCN(C(=O)C1=NN(C)C(=O)CC1)[C@@H]1CCS(=O)(=O)C1 919989896 YEELUXGFPXIFRN-SNVBAGLBSA-N 313.379 -0.204 30 20 DBED C#CC1(O)CN(CC(=O)N[C@@H](Cc2ccccc2)C(C)=O)C1 934442845 DGWKDLNAKPNVCY-HNNXBMFYSA-N 300.358 -0.017 30 20 DBED C#CCCN1CC[C@H](NC(=O)Cn2ccc(O)nc2=O)[C@@H](C)C1 942313321 HJXNSHKIBXOPGP-STQMWFEESA-N 318.377 -0.201 30 20 DBED O=C(CN1CCCC1=O)N[C@@H]1[C@H]2C[C@H]1N(C(=O)C#CC1CC1)C2 946653188 MXLICQDUBLZDKR-OGHNNQOOSA-N 315.373 -0.262 30 20 DBED C[C@H]1C[C@H](NC(=O)c2cnc(O)n(C)c2=O)CCN1CC#N 947602677 MZRVSYTZLCYGCR-VHSXEESVSA-N 305.338 -0.408 30 20 DBED C=CCN1CC[C@@H](N2CCN(C(=O)c3cnon3)CC2)C1=O 952335620 WBUCVFVPOQJLBA-GFCCVEGCSA-N 305.338 -0.386 30 20 DBED CN(C(=O)c1cc(C#N)c[nH]1)C1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 953997712 ISFYNRGYXRHBFP-MNOVXSKESA-N 315.333 -0.709 30 20 DBED C=CCN1CC[C@@H](N2CCN(C(=O)[C@@H]3CCOC3)CC2)C1=O 957056795 HSPHXZMXJKFEAP-ZIAGYGMSSA-N 307.394 -0.046 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cnc3nccnc3c2)C1 958139734 OPMXBBWHXPVAEO-GXTWGEPZSA-N 311.345 -0.320 30 20 DBED C#CCCN1C[C@@H](O)[C@H](CNC(=O)c2ccc3nncn3c2)C1 958481135 NLHHVGUBGIBTTE-ZIAGYGMSSA-N 313.361 -0.225 30 20 DBED CCc1cnc(O)c(C(=O)NC[C@H]2CN(CC#N)C[C@H]2O)c1 958549292 WFUGDSYFHOFDOK-WCQYABFASA-N 304.350 -0.104 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)Cc3nc[nH]n3)C[C@@H]2C1 962261452 YDJOTOJUUCGGEZ-MXWKQRLJSA-N 302.338 -0.576 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(CC1)C[C@@H]2NC(=O)Cn1cnnn1 962968251 IHUQEVCPDSHYCL-QWRGUYRKSA-N 317.353 -0.670 30 20 DBED Cc1nonc1C(=O)N1CC2(C1)CN(C(=O)[C@H](C)C#N)CCO2 965479412 ZVKSXQQUWWTRGV-SECBINFHSA-N 319.321 -0.409 30 20 DBED CCN(C(=O)c1nccnc1N)C1CN(C(=O)[C@H](C)C#N)C1 967853824 YRWNLRSMYZWHCC-SECBINFHSA-N 302.338 -0.109 30 20 DBED C=CCN1CC[C@@H](N[C@@H]2CCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C2)C1=O 969645556 HQPDPGDDNMXOAM-QMIVOQANSA-N 319.405 -0.144 30 20 DBED C[C@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)[C@@H]1CCC(=O)N1)C2 969805037 IWDBYASEHLGKLF-RHYQMDGZSA-N 304.350 -0.374 30 20 DBED CCn1cc(CC(=O)N[C@H]2[C@@H]3CN(C(=O)[C@@H](C)C#N)C[C@@H]32)nn1 976969365 AXULWZZSUKZLKT-PQFRYHKHSA-N 316.365 -0.427 30 20 DBED CN1C(=O)CN(CC(=O)N[C@@H]2CN(CC#N)CC2(C)C)C1=O 977471623 TYFZVDMFVCMOEH-SNVBAGLBSA-N 307.354 -0.769 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)C(N)=O)C1 981447711 BTUGHXSWIAWJRU-RNJOBUHISA-N 323.393 -0.146 30 20 DBED C=CCn1cccc1C(=O)NC[C@H]1CCN(C(=O)C(N)=O)C1 983205433 DRIADKMEVOQTPN-LLVKDONJSA-N 304.350 -0.262 30 20 DBED C[C@H]1[C@H](NCC#N)CCN1C(=O)CN1C(=O)CC(C)(C)C1=O 986279371 KLCRWXAKALTFMY-WDEREUQCSA-N 306.366 -0.126 30 20 DBED C=CCn1cc(C(=O)N[C@@]23CCC[C@H]2N(CC(N)=O)CC3)nn1 992307268 QXZDUIHAISWGMD-IUODEOHRSA-N 318.381 -0.324 30 20 DBED C#CCN1CC[C@]2(NC(=O)Cn3c(O)nnc3O)CCC[C@@H]12 992444614 IFRDRXJWSGLTOF-QMTHXVAHSA-N 305.338 -0.564 30 20 DBED NC(=O)c1ccc(C(=O)NC2CN(C(=O)C#CC3CC3)C2)cn1 994929677 XKQXRQBPEJMFRY-UHFFFAOYSA-N 312.329 -0.466 30 20 DBED N#CCNC1CCN(C(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)CC1 996500090 BTTBRACNURQXDL-NSHDSACASA-N 316.365 -0.133 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(NC(=O)[C@@H]2CCC(=O)N2)C1 997121008 XIDFOMTULHCXBC-OBJOEFQTSA-N 321.377 -0.427 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CCC(=O)N2C)C1 997865314 HYLJGZXPKIKRLK-AGIUHOORSA-N 321.377 -0.475 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(NC(=O)c2nnn(C)n2)C1 997876085 QXMJCWKCBYPMKC-QWRGUYRKSA-N 320.353 -0.868 30 20 DBED C#CCCN1CC[C@@H](n2cc(CNC(=O)c3cnn[nH]3)nn2)C1 1000002411 JNOAXIGWGLMTGS-GFCCVEGCSA-N 314.353 -0.404 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CC[C@H]1CN2C(=O)c1nnn(C)n1 1007468734 NHZZPCCZNQXAPV-KXUCPTDWSA-N 303.326 -0.815 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2C[C@H](NCCN3CCNC3=O)C2)[nH]1 1020085291 MRINGBCZLUVWBJ-HAQNSBGRSA-N 316.365 -0.238 30 20 DBED C=CCN[C@@H]1CC[C@@H]2CN(C(=O)c3nnc(O)nc3O)C[C@H]21 1026304890 RGMBDUKMFAWNCL-OPRDCNLKSA-N 305.338 -0.091 30 20 DBED C#CCCN1CC[C@H](CNC(=O)C2CC3(C2)NC(=O)NC3=O)C1 1028863875 FVWGOJXYCQOGEB-OPGSHWCFSA-N 318.377 -0.564 30 20 DBED C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cn(C)c(=O)nc1O 1032779904 OONZXPGLUNGROT-QWRGUYRKSA-N 304.350 -0.039 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@H](NCC(N)=O)[C@@H](C)C2)nc1 1036259164 WEMHLBONOHIWIW-AAEUAGOBSA-N 300.362 -0.012 30 20 DBED N#Cc1cc(C(=O)N2CC[C@@H]3[C@H](CCN3CC(N)=O)C2)c[nH]1 1036684642 LHTUZEJYRQZXRV-ZWNOBZJWSA-N 301.350 -0.092 30 20 DBED C=CCCCC(=O)N1CC[C@@](O)(CNC(=O)[C@H]2CCNC2=O)C1 1040486707 VYPLXKXTIBWOBL-BLLLJJGKSA-N 323.393 -0.442 30 20 DBED Cc1nc(O)[nH]c1C(=O)N1CC[C@@](O)(CNC(=O)[C@H](C)C#N)C1 1040762018 YNOWZVAUVIDVNP-XLKFXECMSA-N 321.337 -0.723 30 20 DBED C=CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)[C@H](C)OCC)C1 1041634011 AXAORDBHXNIROY-NWDGAFQWSA-N 314.382 -0.308 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)[C@H](C)n2cncn2)C1 1042648271 PKGXNFBLGXBTMP-NSHDSACASA-N 321.381 -0.259 30 20 DBED CCn1ccc(C(=O)NCC2(O)CN(C(=O)C#CC(C)C)C2)n1 1043024233 ZPMBAFCEANBPJU-UHFFFAOYSA-N 318.377 -0.135 30 20 DBED N#Cc1cncc(N2C[C@H](O)[C@H](NC(=O)c3cnsn3)C2)n1 1043864275 WGYCASMVJMKSHS-ZJUUUORDSA-N 317.334 -0.821 30 20 DBED C=C(C)CCC(=O)N1CC(O)(CNC(=O)[C@H]2CCC(=O)N2C)C1 1045116643 MAEWQEYSZBXYPT-GFCCVEGCSA-N 323.393 -0.347 30 20 DBED CCN(C)C(C)(C)C(=O)N1CC(O)(CNC(=O)[C@@H](C)C#N)C1 1045554359 DGQDQIUJYWXPMY-NSHDSACASA-N 310.398 -0.434 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)c2c[nH]nc2C2CC2)C1 1045660190 AAWNSVVRAFWPPA-SECBINFHSA-N 317.349 -0.250 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)C[C@H]2C[C@H]2C)C1 1045757365 ACLAKAAFEZTRAY-CHWSQXEVSA-N 308.378 -0.238 30 20 DBED C=CCN1CC[C@@H](N2CCN(C(=O)[C@@H]3COCCN3C)CC2)C1 1046022637 VFARWLNZEUPPNU-CVEARBPZSA-N 322.453 -0.279 30 20 DBED C=C(Cl)CN1CC[C@H](N2CCN(C(=O)C(N)=O)CC2)C1 1046058742 RZACVEIXPXESRF-NSHDSACASA-N 300.790 -0.557 30 20 DBED C#CCN1CC[C@H](N2CCN(C(=O)C[C@H]3CCC(=O)N3)CC2)C1 1046069096 AWIYFFRJCKJAQI-CABCVRRESA-N 318.421 -0.493 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@]2(C)CCCS2(=O)=O)C1 1047560461 GNJDLCBRXRZFLH-OBJOEFQTSA-N 314.407 -0.910 30 20 DBED C=CCOCC(=O)N(C)[C@H]1CN(C(=O)CCCOC)C[C@@H]1O 1048555048 OCVYYJPGICDYAW-STQMWFEESA-N 314.382 -0.354 30 20 DBED C#CCNC(=O)CC(=O)N(C)[C@H]1CN(C(=O)C=C(C)C)C[C@@H]1O 1048709093 REFBBBZTLMWATJ-STQMWFEESA-N 321.377 -0.878 30 20 DBED C#Cc1ccc(C(=O)N2C[C@@H]3CN([C@H]4CCNC4=O)C[C@@H]3C2)cn1 1049177909 URVJQPQJYARQNS-LZWOXQAQSA-N 324.384 -0.045 30 20 DBED C[C@H](NC(=O)C#CC1CC1)[C@H]1CCN(C(=O)CCNC(N)=O)C1 1050702922 CMRCYMRZLAGSHD-AAEUAGOBSA-N 320.393 -0.189 30 20 DBED N#Cc1cncc(N2CC[C@@H](NC(=O)c3ccon3)[C@@H](O)C2)n1 1051631840 LYVFTHATTVOCSC-PWSUYJOCSA-N 314.305 -0.294 30 20 DBED C=CCOCC(=O)N1C[C@@H](C)[C@H](CNC(=O)Cn2cnnn2)C1 1052215978 UROZZKVZEJFFEP-VXGBXAGGSA-N 322.369 -0.914 30 20 DBED C=CCCOCC(=O)NC[C@H]1CN(C(=O)CC(N)=O)C[C@H]1C 1052264220 FHIXTOXBYKXTFP-NEPJUHHUSA-N 311.382 -0.335 30 20 DBED C#CCCN1CC2(CC[C@@H](CNC(=O)[C@@H]3CCN(C)C3=O)O2)C1 1053642972 QPMQODAUWVEYNF-KBPBESRZSA-N 319.405 -0.162 30 20 DBED C=CCCN1CC2(C[C@H](NC(=O)c3cc(=O)n(C)cn3)CO2)C1 1053836886 UEXRMSCUKYEZIJ-LBPRGKRZSA-N 318.377 -0.071 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)[C@@H]3CCN(C)C(=O)C3)CO2)C1 1053849373 IUJNPBPQTABMON-KGLIPLIRSA-N 319.405 -0.162 30 20 DBED C[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1CN=c1cc[nH]cc1C#N 1054457098 ZSZGAFOUNQYPQO-ZYHUDNBSSA-N 301.350 -0.243 30 20 DBED COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCN(c2cnc(C#N)cn2)CC1 1055735202 KTLYEQGEADCIHV-NWDGAFQWSA-N 315.333 -0.194 30 20 DBED Cc1nc(CC(=O)N[C@H]2[C@@H]3CN(c4cncc(C#N)n4)C[C@@H]32)n[nH]1 1056204717 TVAQFUXRPLJHIK-HBYGRHMLSA-N 324.348 -0.432 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@H]2[C@@H]1CCN2C(=O)COC 1056350231 HUQTWFGRHIUCNW-STQMWFEESA-N 321.377 -0.636 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)Cc1nonc1C 1057168641 NWHJTEVNLNGLCT-UHFFFAOYSA-N 310.354 -0.176 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)[C@@H]1CCN(C)C1=O 1057174878 LZGSFVDFELGYPA-LBPRGKRZSA-N 311.382 -0.632 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)Cc1cnn(C)c1 1057517176 KQQBAPCLMCAJQD-UHFFFAOYSA-N 320.393 -0.441 30 20 DBED N#Cc1cncc(N[C@@H]2CCCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)n1 1057760446 SBGMCWINCPIBEB-JLLWLGSASA-N 314.349 -0.127 30 20 DBED C=CCO[C@H](C)C(=O)N(CCO)CCNC(=O)CCCOC 1057922206 ZHPDFDOLHFRSMT-CYBMUJFWSA-N 316.398 -0.059 30 20 DBED N#Cc1cnc(N2CCC[C@@H](NC(=O)[C@H]3COC(=O)N3)C2)cn1 1058151870 FKEFSZCAULLDSN-MWLCHTKSSA-N 316.321 -0.458 30 20 DBED Cc1nc(CC(=O)N[C@@H]2CCN(c3ccnc(C#N)n3)C2)n[nH]1 1058352275 PRNNCMCIFYQVCS-SNVBAGLBSA-N 312.337 -0.288 30 20 DBED N#Cc1cnc(N2C[C@@H]3CC[C@H](C2)N3C(=O)c2cnn[nH]2)cn1 1058815680 MHZVIFADVPONHZ-PHIMTYICSA-N 310.321 -0.040 30 20 DBED C=CCOCC(=O)N1CC[C@@H](CCNC(=O)c2cnn(C)n2)C1 1059335147 NRDVRBQGZVDBRS-GFCCVEGCSA-N 321.381 -0.014 30 20 DBED CN1CCO[C@@H](C(=O)N[C@H]2C[C@@H](Nc3ccc(C#N)nn3)C2)C1 1059587214 LCNAONBDSWJLQE-FRRDWIJNSA-N 316.365 -0.262 30 20 DBED C[C@]1(C(=O)N[C@H]2C[C@@H](Nc3cnc(C#N)cn3)C2)CCNC1=O 1059822909 CNCOJPQBZNACFW-WMFXKJRFSA-N 314.349 -0.066 30 20 DBED N#Cc1ccc([N+](=O)[O-])c(N2C[C@H]3[C@H](NC(=O)C(N)=O)[C@H]3C2)c1 1060469742 ICENAFLKKMLEJR-GDGBQDQQSA-N 315.289 -0.497 30 20 DBED C#CCOCCC(=O)N1CCOC[C@H]1CNC(=O)c1cnon1 1061805384 SBUYHMALFAMSHP-LLVKDONJSA-N 322.321 -0.933 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)Cn1cccn1 1061845091 CIQYZWVWYSXMDP-NEPJUHHUSA-N 305.338 -0.614 30 20 DBED C=CCOCCCC(=O)NC[C@H]1CCCCN1C(=O)C(N)=O 1062332450 HWSQYYGKBHENFU-GFCCVEGCSA-N 311.382 -0.048 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(NC(=O)c2cn(C)nn2)CCC1 1062869712 JIMZTWHXLFLKHZ-CQSZACIVSA-N 321.381 -0.089 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)c2cn(C)c(=O)n2C)CCC1 1063410458 AXEMGVHCFSNOJX-SNVBAGLBSA-N 319.365 -0.348 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)C[C@H]2CCNC2=O)CCC1 1064305579 UWHYMGXWSMMTDZ-GHMZBOCLSA-N 306.366 -0.173 30 20 DBED N#CCSCC(=O)NC[C@H]1CN(C(=O)C(F)F)CCO1 1064717051 MUKKAJSDZJSTPT-QMMMGPOBSA-N 307.322 -0.148 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2cn[nH]c2)CCO1 1064895612 JDAXQKMGTXNSTK-GFCCVEGCSA-N 308.338 -0.431 30 20 DBED C#CCOCCC(=O)NC[C@H]1CN(C(=O)C#CC2CC2)CCO1 1065136911 IWIHEAQUOJVXRT-HNNXBMFYSA-N 318.373 -0.217 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@H](CNC(=O)CCCC(N)=O)C1 1065562018 VTRUAAMXTLDIAP-GHMZBOCLSA-N 310.354 -0.855 30 20 DBED Cc1cc(=N[C@H]2CN(C(=O)CC(N)=O)C[C@@H]2C)c(C#N)c[nH]1 1067061249 FCSVPDQKXSDUNO-ZANVPECISA-N 301.350 -0.182 30 20 DBED CC(C)C#CC(=O)N(C)CCCN(C)C(=O)Cn1ncnn1 1067360113 WITDPOOQVHQPNQ-UHFFFAOYSA-N 306.370 -0.361 30 20 DBED Cc1ccc(C#N)c(NCC2(O)CCN(C(=O)C(N)=O)CC2)n1 1067485023 IQFWVYFKUSUCPK-UHFFFAOYSA-N 317.349 -0.488 30 20 DBED N#Cc1nc(=NCC2CC(NC(=O)[C@@H]3COC(=O)N3)C2)cc[nH]1 1067846063 TXEJBSVCCLGFTB-RTBKNWGFSA-N 316.321 -0.815 30 20 DBED Cc1cc(=N[C@H](C)[C@H]2CN(C(=O)C(N)=O)CCO2)c(C#N)c[nH]1 1068243224 GWPVTRLLDBXBKW-ZWNOBZJWSA-N 317.349 -0.803 30 20 DBED C=CCCC(=O)NCC1(NC(=O)CNC(C)=O)CCOCC1 1069952901 IGOBTIMMRIXLJM-UHFFFAOYSA-N 311.382 -0.130 30 20 DBED CCn1nccc1C(=O)N1C[C@H](n2ccnn2)[C@H](NCC#N)C1 1070184337 UQNCETVKDCJMSL-YPMHNXCESA-N 314.353 -0.327 30 20 DBED C[C@H]1C[C@@H]1C(=O)NCc1nc([C@H]2COCCN2CC#N)n[nH]1 1070589725 KKEMOCIUFYHCIX-GARJFASQSA-N 304.354 -0.026 30 20 DBED C=C(Cl)CN1CC[C@@]2(C1)CN(C(=O)C(N)=O)C[C@@H](C)O2 1071206687 NUHSROWXZUPANM-ZWNOBZJWSA-N 301.774 -0.084 30 20 DBED C#CCN1CCC(C(=O)N2C[C@H](C)[C@@H](NC(=O)COC)C2)CC1 1072275664 LQOTYRVPWBXYLG-ZFWWWQNUSA-N 321.421 -0.059 30 20 DBED C#CCCCC(=O)N[C@H]1CN(C(=O)c2nnn(C)n2)C[C@@H]1C 1072542963 DXPFVDRPNRCSCQ-QWRGUYRKSA-N 304.354 -0.410 30 20 DBED C#CCNC(=O)CC(=O)NC1(C)CCN(C(=O)[C@@H](C)C#N)CC1 1073228929 MDQUFGXINXHNJC-LBPRGKRZSA-N 318.377 -0.217 30 20 DBED C=CCC(C)(C)C(=O)N1CCC(O)(CNC(=O)C(N)=O)CC1 1074589690 SGGTXCVQSJJFKJ-UHFFFAOYSA-N 311.382 -0.456 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H](C)CCNC(=O)CCc1nc[nH]n1 1076084063 DERDIGOPPOXRNM-RYUDHWBXSA-N 321.381 -0.213 30 20 DBED C[C@@H](CCNC(=O)c1cn(C)nn1)NC(=O)CSCC#N 1076365298 RBVQPKDXCSXWIA-VIFPVBQESA-N 310.383 -0.304 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)C(=O)N2CC[C@@H](C)C2)C1 1077970627 XKFJMFSZPUSSGG-MGPQQGTHSA-N 309.410 -0.018 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)c2cccn(C)c2=O)C1 1078024809 HGSPRDBKCWBZKF-VXGBXAGGSA-N 311.769 -0.087 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)Cn2nc(C)n(C)c2=O)C1 1078099980 BWFCLRNVNZAPEZ-CHWSQXEVSA-N 323.397 -0.982 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCN2CC(F)(F)F)C1 1078232259 BVXOHQBXGWZYHX-GMTAPVOTSA-N 320.315 -0.302 30 20 DBED N#CCN[C@H]1C[C@@H](NC(=O)CN2CCC(=O)NC2=O)C12CCC2 1078774364 WTLAAPSISOJKNY-WDEREUQCSA-N 319.365 -0.531 30 20 DBED C#Cc1ccc(C(=O)N2CC(N(CC)C(=O)C(N)=O)C2)nc1 1080401799 RPAPKTTVKBPCIR-UHFFFAOYSA-N 300.318 -0.779 30 20 DBED CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)[C@@H]2CC(=O)N(C)C2)C1 1080420068 MPQQMFNSHSTEBA-WDEREUQCSA-N 306.366 -0.316 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CO)(NC(=O)c2cnccn2)CC1 1080691603 YRQYZTUGFJWOFE-NSHDSACASA-N 317.349 -0.280 30 20 DBED O=C(C#CC1CC1)NC1(CO)CCN(C(=O)c2cnn[nH]2)CC1 1080855691 XHWBBYJCGHAPMX-UHFFFAOYSA-N 317.349 -0.699 30 20 DBED C=CCOCC(=O)N1CCC(CO)(NC(=O)[C@H](C)C#N)CC1 1080980470 UZLDUEDGOVKSIU-GFCCVEGCSA-N 309.366 -0.182 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)c2ncn(C)n2)C[C@@H]1O 1081442904 ZUDYSJJHCCJIFJ-RYUDHWBXSA-N 319.365 -0.832 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1ccc(CNC(C)=O)o1 1082243591 IHLOZBYXEDFVLL-TZMCWYRMSA-N 320.349 -0.132 30 20 DBED C=CCN1C[C@@H](NC(=O)c2cn([C@H]3CCOC3)nn2)[C@H](OC)C1 1082310292 JWSIRXBUEWDMMK-OUCADQQQSA-N 321.381 -0.146 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CCCCC(=O)N1 1083188701 IDEZCVORCBWQRX-MELADBBJSA-N 305.378 -0.410 30 20 DBED CCCN1C[C@H](C(=O)N2CCO[C@@H]3CN(CC#N)C[C@@H]32)CC1=O 1083209119 RFYBMHNHIJJKLB-HZSPNIEDSA-N 320.393 -0.320 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCn3cncc3C2)C1 1083579872 GOXPJDFPVAIQTN-YUELXQCFSA-N 302.378 -0.370 30 20 DBED C#CCOc1ncccc1C(=O)N[C@@H]1CN(CCCO)C[C@@H]1O 1083967538 MAAJCGSEPIBDRO-KGLIPLIRSA-N 319.361 -0.749 30 20 DBED N#CCN[C@H]1C[C@@H](CNC(=O)[C@@H]2COCCN2CC(F)F)C1 1086158947 CYJUSOQCZUVYHX-TUAOUCFPSA-N 316.352 -0.040 30 20 DBED C[C@H](C[C@@H](C)NC(=O)CNC(N)=O)N=c1cc[nH]cc1C#N 1089214140 FXACVCQSKSNUDB-NXEZZACHSA-N 304.354 -0.261 30 20 DBED CNC(=O)CC(=O)N1CC[C@H](N=c2cc[nH]cc2C#N)[C@@H]1C 1090211942 YMMCWTQKEZWHFV-JQWIXIFHSA-N 301.350 -0.087 30 20 DBED N#Cc1nccnc1N[C@@H]1CC[C@H](CNC(=O)CNC(N)=O)C1 1091534743 LBWBLGSVBPMFEM-VHSXEESVSA-N 317.353 -0.287 30 20 DBED C[C@H](CC(=O)N1CCN(c2nccnc2C#N)CC1)NC(N)=O 1093178249 ZYIDCWGCCLCGMO-SNVBAGLBSA-N 317.353 -0.556 30 20 DBED CCc1nc(C#N)cc(NCCNC(=O)[C@@]2(C)CNC(=O)C2)n1 1094006181 ZQEVRKKANXMUCO-OAHLLOKOSA-N 316.365 -0.035 30 20 DBED C[C@H](C(=O)NCCN=c1cc[nH]c(C#N)n1)[C@H]1CCC(=O)N1 1094133014 JQISHLVQZRHZTB-VHSXEESVSA-N 302.338 -0.787 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)CN3CCC[C@H]3C)CC2=O)C1 1094783657 UQPAWCWHQSYTPB-KGLIPLIRSA-N 318.421 -0.495 30 20 DBED CN(CCCNC(=O)[C@H]1CC[C@H]1C(N)=O)c1ccc(C#N)nn1 1095697236 ZYWAYDOQRBROGU-NEPJUHHUSA-N 316.365 -0.198 30 20 DBED CCNC(=O)CC(=O)NC[C@H](N=c1cc[nH]c(C#N)n1)C1CC1 1096649897 IKVKEDJVTCAWFF-NSHDSACASA-N 316.365 -0.397 30 20 DBED N#Cc1nc(=N[C@H](CNC(=O)Cc2nc[nH]n2)C2CC2)cc[nH]1 1096731323 AGGKKDZTTHALFU-SNVBAGLBSA-N 312.337 -0.562 30 20 DBED Cc1cc(C#N)nc(N[C@H]2CCN(C(=O)CNC(N)=O)C2)n1 1096916000 FQQUCYUPAZEFQL-VIFPVBQESA-N 303.326 -0.662 30 20 DBED COc1cc(C(=O)NC[C@H](C)N=c2cc[nH]c(C#N)n2)on1 1097787363 FJOISAHAKMXRBS-QMMMGPOBSA-N 302.294 -0.003 30 20 DBED C#CCN(CCO)C1CCN(C(=O)[C@@H](C)[C@@H]2CCC(=O)N2)CC1 1098485138 NWWNIDKNAJWSHK-ZFWWWQNUSA-N 321.421 -0.180 30 20 DBED N#Cc1nc(=NC[C@@H]2CCN(C(=O)CCNC(N)=O)C2)cc[nH]1 1098529607 OWWMUSUUQVYQAS-JTQLQIEISA-N 317.353 -0.911 30 20 DBED C#CCN(CCO)C1CCN(C(=O)[C@H](C)N2CCOCC2)CC1 1098587133 VBJRXIDWULCJOY-HNNXBMFYSA-N 323.437 -0.374 30 20 DBED C=CCNCc1cn([C@H]2CCN(C(=O)CNC(=O)OC)C2)nn1 1098626367 PPHBAIOWSCDJSV-LBPRGKRZSA-N 322.369 -0.317 30 20 DBED C[C@H](CCNC(=O)[C@@H]1CCNC1=O)Nc1ccc(C#N)nn1 1099617140 QUKSPNKUXOGGBT-KOLCDFICSA-N 302.338 -0.209 30 20 DBED N#Cc1ccc(CN2CC[C@H](NC(=O)CC(N)=O)[C@@H](O)C2)cc1 1099758877 ZDOUYUDLXGNOBX-KBPBESRZSA-N 316.361 -0.515 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2nn(C)cc2C)[C@H](O)C1 1099813784 UPNUCXPCOOTASS-UONOGXRCSA-N 320.393 -0.457 30 20 DBED CC(C)(C)C#CC(=O)N[C@H]1CCN(CC(=O)NCC#N)C[C@H]1O 1099827646 YFKOQSBAUFMTGT-QWHCGFSZSA-N 320.393 -0.773 30 20 DBED CN(CCNC(=O)C[C@H]1COC(=O)C1)c1ccnc(C#N)n1 1100012532 YRLZLBNNMMEFAB-SNVBAGLBSA-N 303.322 -0.146 30 20 DBED CCNC(=O)NC(C)(C)C(=O)N[C@@H]1CCN(CC#N)C[C@@H]1O 1100025799 ZJNPNKPOQJOLGC-MNOVXSKESA-N 311.386 -0.841 30 20 DBED C#CCN1CC[C@@H](NC(=O)COCc2ccncc2)[C@@H](O)C1 1100052940 HNMVNGJLLSVQTP-CABCVRRESA-N 303.362 -0.217 30 20 DBED CN(CCNC(=O)[C@@]1(C)CNC(=O)C1)c1nccnc1C#N 1100246630 INMBNMLJCUVTII-CQSZACIVSA-N 302.338 -0.573 30 20 DBED Cc1nsc(N(C)CCNC(=O)[C@@H]2CN(C)C(=O)N2)c1C#N 1100255226 FJUNQWKSYRMMJP-JTQLQIEISA-N 322.394 -0.101 30 20 DBED CCN(CCNC(=O)Cn1nccn1)c1ccc(C#N)nn1 1100626899 VOAZNRHTNSIHAN-UHFFFAOYSA-N 300.326 -0.418 30 20 DBED CCN(CCNC(=O)[C@H]1CN(C)C(=O)N1)c1cnc(C#N)cn1 1100696043 HMOUDGCJDDCYLF-LLVKDONJSA-N 317.353 -0.686 30 20 DBED C=CCNC(=O)CNC1CC(CNC(=O)c2nonc2C)C1 1101071688 VEHYWQWDPBOONB-UHFFFAOYSA-N 307.354 -0.222 30 20 DBED COc1ncc(C(=O)N(C)CCN=c2cc[nH]c(C#N)n2)cn1 1101753718 RWMTXRWOJPNLAU-UHFFFAOYSA-N 313.321 -0.247 30 20 DBED C#CCOCCC(=O)N(C)CCNc1ncc([N+](=O)[O-])c(N)n1 1101781568 XBYGTFOWCKUZTD-UHFFFAOYSA-N 322.325 -0.123 30 20 DBED C#CCCN1C[C@@H](C)[C@H](CCNC(=O)c2nnc(O)nc2O)C1 1103190627 MGUMKGGRBJILEX-GHMZBOCLSA-N 319.365 -0.006 30 20 DBED C[C@@H](CNc1cnc(C#N)cn1)N(C)C(=O)Cc1nc[nH]n1 1104672877 IPJZWQLQTLFGMP-VIFPVBQESA-N 300.326 -0.032 30 20 DBED C[C@@H]1CC[C@H](C(=O)N2CC(n3cc(CNCC#N)nn3)C2)O1 1105332110 WXCOYAXDCKRNEW-ZWNOBZJWSA-N 304.354 -0.158 30 20 DBED CCNC(=O)CCC(=O)NC[C@H](O)CNc1ncccc1C#N 1105746265 GASYQAGBIRIKCG-LBPRGKRZSA-N 319.365 -0.241 30 20 DBED CN1CCO[C@H](C(=O)NC[C@@H](O)CNc2ncccc2C#N)C1 1105770207 WMTKEWBKFNFVSO-STQMWFEESA-N 319.365 -0.827 30 20 DBED N#Cc1cnc(NC[C@H](O)CNC(=O)c2ccc(C#N)[nH]2)cn1 1105788041 DSIKBCQHBJLCQX-NSHDSACASA-N 311.305 -0.249 30 20 DBED CC(C)N(C)CC(=O)NC[C@@H](O)CNc1cncc(C#N)n1 1105869505 VCJUCZQMTDWYIB-LBPRGKRZSA-N 306.370 -0.423 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H](O)CNc2ccc(C#N)nn2)nc1 1105908700 XAVLBBIUJDLKLS-ZDUSSCGKSA-N 322.328 -0.073 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H](O)CNC(=O)C12CCN(CC1)C2 1105918041 VGWGVWLNPJVJOZ-ZDUSSCGKSA-N 315.377 -0.640 30 20 DBED Cc1ncn(C)c1C(=O)NC[C@H](O)CNc1ccc(C#N)nn1 1105999074 KXANFMSEPLJAOR-LLVKDONJSA-N 315.337 -0.407 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)CC2(O)CCC2)C[C@H]1C 1106096076 UOUASHRUPMUANX-ZIAGYGMSSA-N 321.421 -0.275 30 20 DBED Cc1ccn(CC(=O)NC[C@H](O)CNc2nccnc2C#N)n1 1106110733 XLNYRNGQDHZQGM-NSHDSACASA-N 315.337 -0.558 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@H](O)CNc1ccc(C)nn1 1106154677 MQDSHXBXPJPZJP-KBPBESRZSA-N 317.393 -0.228 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)[C@@H]2CCN(C)C2=O)C[C@H]1C 1106554246 FZEMFNDDWJIVTL-RBSFLKMASA-N 321.421 -0.201 30 20 DBED C#CCNC[C@@H]1CN(C(=O)c2cc(=O)n3[nH]cnc3n2)C[C@H]1C 1106873068 RJRNDLYZOMLHIU-GHMZBOCLSA-N 314.349 -0.652 30 20 DBED Cc1cc(C#N)nc(NC/C=C\CNC(=O)CNC(N)=O)n1 1107069862 PBVRPVNEHQKGJK-IHWYPQMZSA-N 303.326 -0.591 30 20 DBED CCN1CCO[C@@H](C(=O)N[C@H](C)CNc2nccnc2C#N)C1 1107776215 VPZPHVDIOWJNAY-DGCLKSJQSA-N 318.381 -0.014 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@]1(C)CN(CCCF)CCO1 1107884733 LINYMCQWGAUHNQ-HNNXBMFYSA-N 313.373 -0.307 30 20 DBED C=C(Cl)CN1CCO[C@@](C)(CNC(=O)Cn2ncnn2)C1 1107946493 VQSBULFPCREPHH-LBPRGKRZSA-N 314.777 -0.367 30 20 DBED C[C@H](CNc1cnc(C#N)cn1)NC(=O)CN1CCOCC1=O 1108179831 VEMZBYHYSRKDPZ-SNVBAGLBSA-N 318.337 -0.876 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)[C@@H]2CCCCC(=O)N2)C1 1108207815 RPJCUTHVKFABRV-XJKSGUPXSA-N 307.394 -0.115 30 20 DBED C[C@@H](CNc1cncc(C#N)n1)NC(=O)[C@H]1CCCS1(=O)=O 1108405781 RMIFKNSGXURZPK-GXSJLCMTSA-N 323.378 -0.158 30 20 DBED C#CCCN1CC(N2C[C@H](NC(=O)[C@H](C)COC)CC2=O)C1 1108523261 FWSJNWKMYNEFKT-CHWSQXEVSA-N 307.394 -0.307 30 20 DBED C=CCOCC(=O)N[C@@H]1[C@H]2C[C@H]1N(c1nccn3nnnc13)C2 1109703129 ZKTFLUSSNKGOTG-HOSYDEDBSA-N 315.337 -0.585 30 20 DBED C=CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H](C)NS(C)(=O)=O 1109760876 WQDRKNPHGRRKPI-USZNOCQGSA-N 301.412 -0.168 30 20 DBED CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1110318491 QKWKCLQNFDNBLL-LOWDOPEQSA-N 308.382 -0.227 30 20 DBED CC(C)C#CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2[C@H](C)C(=O)NC(N)=O 1110539153 HKNSYKNQIQRXIC-LPWJVIDDSA-N 320.393 -0.049 30 20 DBED Cn1nncc1C(=O)N(CCO)CCNc1nccnc1C#N 1111459988 MEALFSGQWLDTHN-UHFFFAOYSA-N 316.325 -0.977 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1COCCN1c1nccn2nnnc12 1111663315 SZMSLNROURAMEI-ZJUUUORDSA-N 316.325 -1.000 30 20 DBED C=CCCC(=O)NC[C@H]1COCCN1c1ccc2nnnn2n1 1111673749 NVKNBRPJFOQLMT-NSHDSACASA-N 317.353 -0.193 30 20 DBED N#Cc1nccc(N2CCC[C@@H](NC(=O)CNC(N)=O)CC2)n1 1111966558 SRHAIXWWDPRUSZ-SNVBAGLBSA-N 317.353 -0.508 30 20 DBED COCCC(=O)NC[C@@H]1CN(c2ncccc2C#N)C[C@@H]1O 1112688059 ADGKCCDDOZIYSL-OLZOCXBDSA-N 304.350 -0.097 30 20 DBED C[C@H](C(=O)NC(N)=O)N1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 1112774273 PBEHHWHRIAGCLD-SECBINFHSA-N 318.337 -0.772 30 20 DBED CCn1cc(CC(=O)N2CCN(CC#CCOC)CC2)nn1 1113133829 DBCLYRPVCWMMOO-UHFFFAOYSA-N 305.382 -0.366 30 20 DBED CNC(=O)NCC(=O)N[C@H](C)[C@@H](C)N=c1cc[nH]c(C#N)n1 1113350628 WQYSZBNGDAYMFF-RKDXNWHRSA-N 305.342 -0.996 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H](C)N(C)c1nc(C)ns1 1113566927 FERARIWNBCZPEU-SECBINFHSA-N 309.395 -0.073 30 20 DBED CCN(CCC#N)C(=O)CN1C[C@H]2[C@H](NC(=O)COC)[C@H]2C1 1113750522 VVSMWZBYCNJAFV-JYAVWHMHSA-N 308.382 -0.559 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@H](C)OCC(C)C)[C@H]2C1 1113965447 NVUNMSHXCNQXET-TTZDDIAXSA-N 321.421 -0.157 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@H]1[C@@H]2CN(CC(=O)NCCC)C[C@@H]21 1114195017 ZGPVIBXVWXMUOK-GUYJKWIASA-N 309.410 -0.114 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)c3cc(Cl)no3)[C@@H]2C1 1115150184 QOVBSVLHTXVEQS-RKDXNWHRSA-N 322.752 -0.263 30 20 DBED CCCNC(=O)CCC(=O)NCCN/C(O)=C1/N=CC=CC1=O 1116037885 YPXPPGIRUAEYHR-PFONDFGASA-N 322.365 -0.065 30 20 DBED CN1CCC(O)(CNC(=O)NC2CCN(CC#N)CC2)CC1 1116122184 QNHNEUXFAVAPBA-UHFFFAOYSA-N 309.414 -0.270 30 20 DBED C=CCn1cnnc1S(=O)(=O)CC(=O)NC[C@@H]1CCCO1 1116242950 BEZPYEMMSRWQKW-JTQLQIEISA-N 314.367 -0.467 30 20 DBED Cc1cc(NC(=O)C(=O)NCC2(CO)CC2)nn1CCC#N 1116434321 HOUQZZMLZBGCGJ-UHFFFAOYSA-N 305.338 -0.068 30 20 DBED C#C[C@@H](NC(=O)C(=O)NCCCC(=O)N(C)C)[C@@H]1CCCO1 1117117276 HNGUKNBGBXCEAG-NEPJUHHUSA-N 309.366 -0.732 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N[C@H](C)CS(=O)(=O)CC 1117334379 IWUHOTBUTQYVIA-LLVKDONJSA-N 320.411 -0.413 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)N(C[C@@H]2CCOC2)C2CC2)C1 1118182919 BFQYFCKMBXZFCZ-LRDDRELGSA-N 321.377 -0.109 30 20 DBED C#CCCN(CCOC)C(=O)c1cn(C[C@H]2CNC(=O)O2)nn1 1119329071 ZKCQXBXJFIYZGB-LLVKDONJSA-N 321.337 -0.502 30 20 DBED C#CCOCCn1nnnc1N1CCC(Cn2ccnn2)CC1 1120251535 IRXFKDGNVFYUPY-UHFFFAOYSA-N 316.369 -0.169 30 20 DBED C[C@H](C(=O)NC[C@@H](CO)Nc1cncc(C#N)n1)n1cccn1 1121220467 GFTRYSXSWVCELX-PWSUYJOCSA-N 315.337 -0.305 30 20 DBED CCn1cc(C(=O)NC[C@H](CO)Nc2cnc(C#N)cn2)cn1 1121228456 HIOKRFIMIIQVLQ-GFCCVEGCSA-N 315.337 -0.233 30 20 DBED C=CCn1c(C[C@H](C)O)nnc1N1CCO[C@@H](C(=O)NC)C1 1121527365 RFZDHUPNAUQQFH-WDEREUQCSA-N 309.370 -0.661 30 20 DBED COCC1(C(=O)NC[C@H](CO)N=c2cc[nH]c(C#N)n2)CCC1 1122259455 CKOURNDGFCKRPD-LLVKDONJSA-N 319.365 -0.524 30 20 DBED C#CCN(C)c1nnc(Cn2cnc(C#N)n2)n1CCOC 1122352074 FACXJPTWRDMNJK-UHFFFAOYSA-N 300.326 -0.495 30 20 DBED N#Cc1nccnc1N[C@H](CO)CNC(=O)CCc1cnc[nH]1 1122747640 LJRUFUIEVYBQCA-NSHDSACASA-N 315.337 -0.407 30 20 DBED CCNC(=O)CC(=O)N(C)C[C@@H](O)CNc1ccc(C#N)cn1 1124315595 YDDUIRJKJMZUEN-LBPRGKRZSA-N 319.365 -0.289 30 20 DBED C=CCCO[C@@H](C)C(=O)NCCNCCOCCNC(C)=O 1124488905 VYPDGUPKRMKWGR-ZDUSSCGKSA-N 315.414 -0.174 30 20 DBED COCCC(=O)N(C)C[C@H](O)CN(C)c1ccc(C#N)nn1 1124902787 ONMNNOFWNJOGNI-GFCCVEGCSA-N 307.354 -0.360 30 20 DBED C#CCNC(=O)CC(=O)NCCNCc1cc2n(n1)CCCC2 1125998348 OXXOMAMQDNQKJG-UHFFFAOYSA-N 317.393 -0.435 30 20 DBED COCCN(CCNC(=O)CNC(C)=O)c1cncc(C#N)n1 1126181032 MZFBIFSATIZZQR-UHFFFAOYSA-N 320.353 -0.947 30 20 DBED COCC(=O)NCCC(=O)NCCNCc1cccc(C#N)c1 1128686935 ZDMNHIAJDJMGGU-UHFFFAOYSA-N 318.377 -0.083 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@H]1CCN(CC(C)C)C1 1129327786 IXOZGENPXUOETA-AWEZNQCLSA-N 308.426 -0.581 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CN(CCO)C[C@@H]1n1ccnn1 1129481208 ISQBABMQHDPVCU-XQQFMLRXSA-N 309.370 -0.797 30 20 DBED CC#CCN[C@@H]1CN(C(=O)c2[nH]cnc2C)C[C@@H]1n1ccnn1 1130158580 METRXDAAINCGDQ-OLZOCXBDSA-N 313.365 -0.012 30 20 DBED CNC(=O)NCC(=O)NCc1c[nH]nc1[C@@H]1CCN(CC#N)C1 1130392563 OZXIYYHFSAHXJU-SNVBAGLBSA-N 319.369 -0.732 30 20 DBED CC(=O)N(C)CC(=O)N1C[C@@H]2C[C@@H]3CN(CC#N)C[C@]2(C1)O3 1131194752 RTQOXSUUVIBXDK-GZBFAFLISA-N 306.366 -0.710 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)CCCC(=O)NC)C[C@@]3(C1)O2 1131220874 SVVQKBUCSPHISQ-CKEIUWERSA-N 319.405 -0.162 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)[C@H]2CCNC(=O)CC2)C1=O 1131844468 IPJNNHUGXGWPDP-CHWSQXEVSA-N 322.409 -0.605 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)[C@H]2CCCCC(=O)N2)C1=O 1133681134 ISWWPVGBBRAGBA-OLZOCXBDSA-N 322.409 -0.462 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)c1coc(OC)n1 1135092074 HMTWEGXHKIBULM-WDEREUQCSA-N 322.365 -0.081 30 20 DBED COCC#CCN[C@H](C)C[C@@H](C)NC(=O)CN1C(=O)CCC1=O 1146193545 PHCBZASAJLGPRV-CHWSQXEVSA-N 323.393 -0.342 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1c(C)nn(C)c1F 1149364849 QWBWVNMPZOAEQG-JTQLQIEISA-N 309.345 -0.675 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)[C@H]2CCC(=O)N(C)C2)C1=O 1152509128 QNPRVGNIBVPAHX-STQMWFEESA-N 322.409 -0.653 30 20 DBED C#CCO[C@@H](C)C(=O)NCCCNCC(=O)N(C)CC1CC1 1157869293 ISUWMYXLGPZNKJ-ZDUSSCGKSA-N 309.410 -0.011 30 20 DBED C#CCCN1CCC(CNC(=O)Cn2ncnn2)(COC)CC1 1162275304 KMQKGMDEXSFTAU-UHFFFAOYSA-N 320.397 -0.459 30 20 DBED C#CCNC(=O)CNCCCNC(=O)Cc1cncc(C)c1 1163324604 KZTMOLHIDPTTCT-UHFFFAOYSA-N 302.378 -0.222 30 20 DBED CN(C)Cc1ccoc1C(=O)NCCCNCC(=O)NCC#N 1165246528 SRFOKQNDPOUPKC-UHFFFAOYSA-N 321.381 -0.310 30 20 DBED C#CCNC(=O)CNC[C@]1(C)CN(C(=O)c2cc[nH]n2)C[C@H]1C 1180668106 DTGCLAQUWBHRQR-MLGOLLRUSA-N 317.393 -0.153 30 20 DBED C=CCN1CC[C@@H](N[C@@H]2CCN(C(=O)CNC(=O)CC)C2)C1=O 1181690883 VKGUJBZJIFCCSC-CHWSQXEVSA-N 322.409 -0.510 30 20 DBED C=CCNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)c2ncc[nH]2)C1 1182352380 SIBJWUOICSHTHZ-SNVBAGLBSA-N 320.353 -0.774 30 20 DBED CC(=O)NCCOCCN[C@@H]1CCN(C(=O)C#CC2CC2)C1 1182390141 ZLNNPGIVGTVYGA-OAHLLOKOSA-N 307.394 -0.257 30 20 DBED CN(CC(=O)NCC#N)[C@H]1CCN(C(=O)CC2OCCCO2)C1 1189819696 WRZFBQIKFYVAKU-LBPRGKRZSA-N 324.381 -0.688 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@H](N(C)CC(=O)NC2CC2)C1 1190093744 ANGCZUPJSRCRIO-OCCSQVGLSA-N 307.394 -0.164 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2[C@H]3CCCC[C@H]32)C1 1192029479 PYFOZCZRWPOIJJ-SGPHBRAGSA-N 321.421 -0.114 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(CCOCC(C)C)C[C@H]1O 1192886712 XEOBAAKAIINKDA-HUUCEWRRSA-N 312.410 -0.140 30 20 DBED N#CCNC(=O)CN1CCCN(C(=O)c2cnsn2)CC1 1194971429 ZGKMUFKBJKMWFE-UHFFFAOYSA-N 308.367 -0.674 30 20 DBED CC1(C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@H]2O)CCCC1 1195058984 VLISEWJMVKMOLI-VXGBXAGGSA-N 308.382 -0.632 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C(C)(C)C2CC2)C1 1195518243 OTVRRWUACDJYPH-CHWSQXEVSA-N 307.394 -0.667 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)c2cn(C)nn2)CC1 1195703079 QTSSEHYVNSXRJA-UHFFFAOYSA-N 306.370 -0.735 30 20 DBED C#CCNC[C@H]1CN(C(=O)c2ccc(=O)n(CC)n2)CCCO1 1201660206 WMOIVSINWCQNIO-ZDUSSCGKSA-N 318.377 -0.283 30 20 DBED C=CCCNC[C@H]1CN(C(=O)CCn2cnnn2)CCCO1 1201710401 BGEUUDRBHJVOFQ-ZDUSSCGKSA-N 308.386 -0.154 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)[C@@]2(F)CCOC2)CC1 1202172434 VQHLLJMDPNRKNL-OAHLLOKOSA-N 311.357 -0.555 30 20 DBED COCC#CCNC1CCN(C(=O)c2c[nH]c(=O)cn2)CC1 1202207500 UGDMSBFGKAJPAZ-UHFFFAOYSA-N 304.350 -0.386 30 20 DBED C=CCOCC(=O)N[C@@H]1CN([C@H](C)c2nnnn2C)C[C@H]1C 1206614557 VLVPFVIHRZSIBM-IJLUTSLNSA-N 308.386 -0.090 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@@H](Cn1cccn1)N(C)C 1207547145 MJQXEBJGYYBHOP-MGPQQGTHSA-N 304.398 -0.227 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)Cc2cncnc2)C1 1207919495 BWSVXGZTNSNLNP-CQSZACIVSA-N 317.393 -0.098 30 20 DBED COCC#CCN[C@@H]1CCCN(C(=O)CCN2CCOCC2)C1 1210147076 ZCIYYMZQYRMVKQ-MRXNPFEDSA-N 323.437 -0.061 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2nc(C)no2)C[C@H]1OC 1212255557 MUUURDXAXUVNDH-CYZMBNFOSA-N 322.365 -0.268 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)CCc1c(C)ncnc1O 1212510064 SSCAXOOTRKJGDM-CHWSQXEVSA-N 319.365 -0.238 30 20 DBED C[C@@H](CC(=O)N[C@@H]1CN(CC#N)C[C@@H]1O)N1CCCCC1=O 1219629023 WLOMTQNZKBMUTD-XQQFMLRXSA-N 308.382 -0.538 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(Cc2nncs2)C[C@@H]1O 1221139657 IAXGSQFCYAYBRT-MNOVXSKESA-N 312.395 -0.208 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)N1C[C@H]2CCN(CC(N)=O)C[C@H]21 1221851943 KQAHGUPGNDOXIQ-MGPQQGTHSA-N 322.409 -0.525 30 20 DBED C#CCOCCC(=O)NC1CCN([C@H]2CCC(=O)NC2=O)CC1 1227322916 HTCNGPGMENBWAS-ZDUSSCGKSA-N 321.377 -0.588 30 20 DBED C#CCO[C@@H](C)C(=O)NC1CCN([C@@H](C)c2nnnn2C)CC1 1227342480 OJBXTRZSDISZQS-RYUDHWBXSA-N 320.397 -0.110 30 20 DBED C[C@H](C#N)C(=O)N(C)C[C@@H]1CCN1CC(=O)NC1CCOCC1 1231247543 OVLZCYTWBCKHSB-OCCSQVGLSA-N 322.409 -0.026 30 20 DBED C=CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)c1[nH]c(O)nc1C 1235636001 WMOVBNUMLORLNC-LLVKDONJSA-N 321.381 -0.128 30 20 DBED C#CCN(CC1CC1)C(=O)CCn1cc(S(N)(=O)=O)cn1 1253580108 RBAWWTAMMWYGCD-UHFFFAOYSA-N 310.379 -0.208 30 20 DBED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(=O)n(CC)c1 1254238751 VOLVMJQMUNLXQJ-UHFFFAOYSA-N 306.322 -0.775 30 20 DBED COC(=O)c1ccc(N2C[C@H]3C(=O)NC(=O)[C@H]3C2)c(C#N)n1 1261559216 FAUKURQQEIOMIM-OCAPTIKFSA-N 300.274 -0.551 30 20 DBED C#Cc1ccc(C(=O)OCC(=O)N[C@@H]2CCS(=O)(=O)C2)nc1 1318507117 JRCHZVULARIZRB-LLVKDONJSA-N 322.342 -0.477 30 20 DBED COCCOCCCCNS(=O)(=O)N1CCO[C@H](C#N)C1 1321367713 YHHHYWZICUSWFZ-GFCCVEGCSA-N 321.399 -0.512 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N(C)[C@@H](C)CN1CCOCC1 1323824637 XALKNYDQSWTBAX-QWHCGFSZSA-N 313.398 -0.517 30 20 DBED CN1C(=O)CN(NC(=O)C(=O)Nc2sccc2C#N)C1=O 1324512753 BHSXQGGYINGODE-UHFFFAOYSA-N 307.291 -0.517 30 20 DBED C#CC1CCN(C(=O)C(=O)N2CCCN(CC)C(=O)C2)CC1 1326534380 WUEFTZHLDHZZDT-UHFFFAOYSA-N 305.378 -0.061 30 20 DBED COC[C@]1(CO)CCN(C(=O)C(=O)N2CCC[C@H](CC#N)C2)C1 1327749720 PNXBUZNFSONVBU-CZUORRHYSA-N 323.393 -0.004 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)c2ccncc2)CC1 1330297648 ILESUNVIAOYPCY-UHFFFAOYSA-N 308.363 -0.693 30 20 DBED CO[C@@H]1CCCN(C(=O)C(=O)N2CCN(CCC#N)CC2)C1 1332000559 CSQZPBDYHQTLPD-CYBMUJFWSA-N 308.382 -0.318 30 20 DBED CN(Cc1cnccn1)C(=O)C(=O)N1CCN(CCC#N)CC1 1332005103 ZTLUDVCNUOZPMQ-UHFFFAOYSA-N 316.365 -0.507 30 20 DBED N#C[C@@H](C(=O)CCCN1C(=O)CNC1=O)C(=O)N1CCCC1 1343271768 FHVWVHASXINMIJ-JTQLQIEISA-N 306.322 -0.350 30 20 DBED C=C/C=C\CCNC(=O)C(=O)NCCS(=O)(=O)CC=C 1353753221 BDVQJRWXPBXSBU-WAYWQWQTSA-N 300.380 -0.048 30 20 DBED CC[C@]1(NC(=O)CCn2cc(C#N)c(O)nc2=O)CCOC1 1363139050 WOLKPGKJJWLLDA-AWEZNQCLSA-N 306.322 -0.104 30 20 DBED COCCN(CCC#N)S(=O)(=O)NCC(C)(C)C(=O)OC 1364078838 YKIXCOCCMCOJMZ-UHFFFAOYSA-N 321.399 -0.118 30 20 DBED COc1c[nH]c(C(=O)N(C)CCNC(=O)[C@@H](C)C#N)cc1=O 1373649952 PZBORBAXMVWWFX-VIFPVBQESA-N 306.322 -0.269 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CN(C)C(=O)CCN1CCCCC1 1383004053 SCTYTBYBEIFUBI-KGLIPLIRSA-N 324.425 -0.042 30 20 DBED CC(C)[C@@H](O)C(=O)N(C)C[C@@H](O)CNC(=O)c1c[nH]c(C#N)c1 1384221047 PCRQBRLXDZZTEC-QWHCGFSZSA-N 322.365 -0.548 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CCN(C(=O)c2c[nH]c(C(N)=O)c2)C1 1385842055 QOTIQCOIXQISFX-SCZZXKLOSA-N 303.322 -0.396 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1ccnc(C2CC2)n1 1392154029 BEORPTMVYJJCPP-ONGXEEELSA-N 317.349 -0.279 30 20 DBED C=C(Cl)CNC[C@@H]1CCCN1C(=O)CN1CCNC(=O)C1 1393050469 PXNCYVUOGRLBAM-LBPRGKRZSA-N 314.817 -0.249 30 20 DBED C[C@H](C#N)C(=O)N(CCNC(=O)CNC(=O)C1CC1)C1CC1 1398292946 MXYJSTNWTLCMJW-SNVBAGLBSA-N 306.366 -0.221 30 20 DBED C=C(Cl)CN1CCO[C@H](CNC(=O)[C@H](C)NC(N)=O)C1 1405731900 ICIHDWXIPXFPHI-VHSXEESVSA-N 304.778 -0.387 30 20 DBED C=C(Br)CNC[C@H](O)CNC(=O)[C@H](C)CC(N)=O 1406246520 AXCUGCNFPSPOIB-APPZFPTMSA-N 322.203 -0.527 30 20 DBED C[C@@H](CN(C)Cc1nnn(C)n1)NC(=O)c1cc(C#N)c[nH]1 1406614304 NPLXQIQAOXXOKQ-VIFPVBQESA-N 302.342 -0.340 30 20 DBED N#Cc1cccc(CNC(=O)CN2CCC(O)(C(N)=O)CC2)c1 1412984304 RNZSRSBHUXWCFN-UHFFFAOYSA-N 316.361 -0.513 30 20 DBED CCNC(=O)CCC(=O)NC[C@]1(O)CCN(C(=O)[C@H](C)C#N)C1 1417438591 UNZTVNHUFYOXLP-IAQYHMDHSA-N 324.381 -0.858 30 20 DBED CCc1nn(C)cc1C(=O)NC[C@@H](O)CNC(=O)[C@@H](C)C#N 1431553739 UJNGYVUBEIXRCM-UWVGGRQHSA-N 307.354 -0.651 30 20 DBED C[C@]1(C(=O)NC[C@@H](O)CNC(=O)c2cc(C#N)c[nH]2)CCOC1 1452327982 JQOTYNGGLKNKKL-NHYWBVRUSA-N 320.349 -0.480 30 20 DBED C[C@H](C#N)C(=O)N(C)C1CCN(C(=O)[C@H]2CN(C)CCO2)CC1 1510152467 AXICJZUIKFUJJQ-TZMCWYRMSA-N 322.409 -0.074 30 20 DBED C[C@H]1CN2CCN1C[C@H]2C(=O)NCC1CCN(CC#N)CC1 1527843798 BTXKSRHELXRUSY-ZFWWWQNUSA-N 305.426 -0.274 30 20 DBED CCN1CCO[C@@H](C(=O)NCCN(CC)C(=O)[C@H](C)C#N)C1 1528882167 KHXAGTBDZYTREO-CHWSQXEVSA-N 310.398 -0.169 30 20 DBED CC[C@H](CNC(=O)C(C)(C)S(C)(=O)=O)NC(=O)[C@H](C)C#N 1531508201 RWYXHVUISPEFHL-NXEZZACHSA-N 317.411 -0.020 30 20 DBED C=C(CCC(=O)O)C(=O)N[C@H]1CN(C(=O)OCC)C[C@@H]1CO 1573333150 WGTNPRVYEUPTBW-MNOVXSKESA-N 314.338 -0.027 30 20 DBED Cn1cc(C#N)c(NC(=O)N[C@H]2CN(C(=O)O)C[C@@H]2CO)n1 1574211177 CZWIBIJTBRHALU-BDAKNGLRSA-N 308.298 -0.616 30 20 DBED C[C@@H]1[C@H](NCC#N)CCN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1 1575901909 RLDXESHQNZZZJK-RKDXNWHRSA-N 300.326 -0.089 30 20 DBED CC1(C)CNC[C@@H]1C(=O)NCCn1cc(C#N)c(O)nc1=O 1576473224 NDQZQBWLRWMELO-SNVBAGLBSA-N 305.338 -0.818 30 20 DBED CNCCCC(=O)N1CCC(NC(=O)NCC#CCO)CC1 1578680157 CAUYUQDNEBWQEO-UHFFFAOYSA-N 310.398 -0.728 30 20 DBED Cn1c(=O)[nH]c(N2CCC[C@](C)(C#N)C2)c(-c2nn[nH]n2)c1=O 1581747091 XMSIICQFNIIZBW-CYBMUJFWSA-N 316.325 -0.616 30 20 DBED N#Cc1nc(N[C@H]2CCCC[C@H]2C(N)=O)cnc1-c1nn[nH]n1 1581880217 CVRKWHBQDDDJEN-SFYZADRCSA-N 313.325 -0.016 30 20 DBED C#CCO[C@H](C)C(=O)O[C@@H]1COC[C@H]1n1cc(C(=O)O)nn1 1588490676 VCRRCPTUNMIWFU-FBIMIBRVSA-N 309.278 -0.502 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN(C)C[C@@H](C(=O)O)C1 1588547460 KFKBIMAYHJKMKM-CHWSQXEVSA-N 311.382 -0.068 30 20 DBED N#Cc1cn(CC(=O)N[C@H]2CC[C@@H](C(=O)O)C2)c(=O)nc1O 1594632897 HNYLITFYLBSSLO-APPZFPTMSA-N 306.278 -0.810 30 20 DBED CN(CCNC(=O)c1c[nH]c(C#N)c1)C(=O)[C@H]1C[C@@H]1C(=O)O 1598492887 VCAALLLDZYHKHT-QWRGUYRKSA-N 304.306 -0.205 30 20 DBED Cn1c(N2CCC[C@](C)(C(=O)O)C2)c(C#N)c(=O)n(C)c1=O 1600920131 IVNOCBSKWRDDPJ-AWEZNQCLSA-N 306.322 -0.353 30 20 DBED N#C[C@]12CN(C[C@@H]3[C@@H](C(=O)O)C3(F)F)C[C@H]1CS(=O)(=O)C2 1601080012 SUIHZSYTNLSMPX-QCBRBAQYSA-N 320.317 -0.178 30 20 DBED N#Cc1cccc(NC(=O)C(=O)N2CCO[C@H](C(=O)O)C2)n1 1601122851 UPWNMDCZBULLAP-VIFPVBQESA-N 304.262 -0.796 30 20 DBED C#CC[C@@H](NC(=O)C1(S(C)(=O)=O)CCOCC1)C(=O)O 1602685694 XWTHLZAXQBWDJW-SECBINFHSA-N 303.336 -0.827 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)O 1606885024 XREXFAXEQGXTTP-GHMZBOCLSA-N 319.383 -0.064 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)N[C@H]2C[C@@H](C(=O)O)C2)CC1 1609398731 FHYMFGUNYKNFCL-TXEJJXNPSA-N 324.381 -0.521 30 20 DBED N#C[C@@H]1CN(C(=O)c2cc(O)cc(-c3nn[nH]n3)c2)CCO1 1609494353 AWPWGNAHRDRWNQ-LLVKDONJSA-N 300.278 -0.063 30 20 DBED CN(C(=O)COC(=O)Cc1nc2ncccn2n1)C(C)(C)C#N 1645528975 FKGJDMBSSDVNQF-UHFFFAOYSA-N 316.321 -0.029 30 20 DBED C#CCCN(C)CCCNC(=O)CN1CCCCS1(=O)=O 1752023365 LFANFKSCMAEPLX-UHFFFAOYSA-N 315.439 -0.127 30 20 DBED C=CCNC(=O)[C@H](C)N[C@H]1C[C@@H](NC(=O)[C@@H]2CCNC(=O)C2)C1 1752747871 FASZNOJCDNRLSB-QNWHQSFQSA-N 322.409 -0.560 30 20 DBED CCO[C@H](C)C(=O)N1CCC[C@@H](N(C)CC(=O)NCC#N)C1 1752987244 NXXQTVVDVNDAIB-CHWSQXEVSA-N 310.398 -0.026 30 20 DBED C#CCCN(CC)CCNC(=O)Cn1[nH]cc2c(=O)ncnc1-2 1753091794 KHIGYWDHUFGQLV-UHFFFAOYSA-N 316.365 -0.467 30 20 DBED CC#CCN(C)C[C@@H]1CCN(C(=O)C[C@@H]2CC(=O)NC2=O)C1 1753361321 COTFZBXXUHUDPC-STQMWFEESA-N 305.378 -0.157 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC(NC(=O)CCc2ccccn2)C1 1753383516 IMAYWWCIPOFWKJ-CYBMUJFWSA-N 314.389 -0.048 30 20 DBED C#CCNC(=O)CN1CC(NC(=O)[C@@H]2[C@H]3[C@@H]4CC[C@@H](C4)[C@H]32)C1 1753394365 XTHBUJMWGOLBBO-WMKFIOFKSA-N 301.390 -0.172 30 20 DBED C[C@@H](CNCC(=O)NCC#N)N(C)C(=O)Cc1cncn1C 1753720726 FSZPOEUSKIAFGB-NSHDSACASA-N 306.370 -0.961 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](O)CNCCc1cnn(C)c1 1753929114 URPZOVDMVFSLOT-ZNMIVQPWSA-N 322.409 -0.380 30 20 DBED COc1ccc(C(=O)N[C@@H](C)CNCC(=O)NCC#N)cn1 1754275400 XOYDKTUSHSTQEP-JTQLQIEISA-N 305.338 -0.562 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCN([C@H]2CCN(CCCO)C2)CC1 1754663204 OBRWPNJUZWZTEB-HOTGVXAUSA-N 323.437 -0.374 30 20 DBED CN(CC(=O)NCC1(NCC#N)CCOCC1)C(=O)C1CC1 1754736678 WOKXMPAWZWTLDN-UHFFFAOYSA-N 308.382 -0.367 30 20 DBED CCC[C@H](C)C(=O)NC[C@]1(O)CCN(CC(=O)NCC#N)C1 1754749083 AXWRKXCYDWFXKP-SWLSCSKDSA-N 310.398 -0.385 30 20 DBED COCC#CCN1CC(O)(CNC(=O)c2cncc(F)c2)C1 1754766334 NCSAKXRVGNYRGP-UHFFFAOYSA-N 307.325 -0.353 30 20 DBED C#CCCN1CC(O)(CNC(=O)c2ccoc2CC(N)=O)C1 1754772388 HCHWZTKKSSRNOQ-UHFFFAOYSA-N 305.334 -0.893 30 20 DBED C#CCNC(=O)CNCC[C@@H]1CCN(C(=O)[C@@H](OC)C2CC2)C1 1754912373 FAMACYSYNDLJOK-CJNGLKHVSA-N 321.421 -0.011 30 20 DBED C=CCNCC[C@@H]1CCN(C(=O)CNS(=O)(=O)CC)C1 1754917352 NLQMOLFNETXMGW-GFCCVEGCSA-N 303.428 -0.060 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)CCCCNC(N)=O)CO2)C1 1755063937 RLNOXLHUJDSIGO-LBPRGKRZSA-N 308.382 -0.582 30 20 DBED C#CCNCC1(O)CCN(C(=O)C2CCN(CC#C)CC2)CC1 1755156015 LVCRPOYPTIGVCM-UHFFFAOYSA-N 317.433 -0.092 30 20 DBED C[C@H]1C[C@@H](NC(=O)c2cncn2C)CCN1CC(=O)NCC#N 1755160891 ISPMZUHZDOFSBR-RYUDHWBXSA-N 318.381 -0.357 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)N1C[C@H]2CC[C@H]1CN2CC(N)=O 1755398554 YSEDFJVQQXGZDX-RDBSUJKOSA-N 322.409 -0.382 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)[C@H](C)NC(=O)CC)C2)C1 1755402508 UWMJEEQJUVLOQI-XJKSGUPXSA-N 307.394 -0.162 30 20 DBED C#CCNC[C@H](C1CC1)N(C)C(=O)CN1CCC(=O)NC1=O 1755568954 OYEHGOFBOCCFOG-GFCCVEGCSA-N 306.366 -0.612 30 20 DBED COCCn1nc(C(=O)N(C)C[C@H](C)NCC#N)ccc1=O 1755596594 FUBPUSLMBIJANJ-NSHDSACASA-N 307.354 -0.537 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2ccnn2C)[C@@H]1C 1755651350 CPZDKQVDZKACAV-VXGBXAGGSA-N 303.366 -0.638 30 20 DBED CNS(=O)(=O)CCC(=O)N1C[C@@H](NCC#N)C(C)(C)C1 1755759014 JHCXJXQEZBXVBT-SNVBAGLBSA-N 302.400 -0.724 30 20 DBED COCC#CCNC[C@H](O)CN(C)C(=O)[C@@H](C)n1cccn1 1755772488 CDOBGOLMPCPTNC-KGLIPLIRSA-N 308.382 -0.497 30 20 DBED C=CCOCC(=O)N[C@@H](C)C1CN(C(=O)[C@H]2CCC(=O)N2)C1 1756129744 GWWCCQDZLHUNGF-CMPLNLGQSA-N 309.366 -0.569 30 20 DBED CC(C)C#CC(=O)N[C@H]1CN(C(=O)Cn2cnnn2)CC1(C)C 1756176689 OWPRDEWRSLDHDJ-LBPRGKRZSA-N 318.381 -0.314 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C[C@@H](C)NC(=O)CNC(=O)OC 1756453560 QDNDRAQHUIHKIR-GHMZBOCLSA-N 313.354 -0.656 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H](CO)CNC(=O)c1ccc(F)nc1 1756509649 TWPCIUNIUSVMLU-JQWIXIFHSA-N 323.324 -0.534 30 20 DBED Cc1cc(C(=O)NC[C@H](CO)NC(=O)C#CC(C)C)c(C)nn1 1756524467 WQZMTTBVKOHGDS-CYBMUJFWSA-N 318.377 -0.040 30 20 DBED C=C(C)CCC(=O)N1C[C@H](O)[C@H](NC(=O)[C@@H](C)n2cncn2)C1 1757167382 UHJQJGLCMGHRKJ-UPJWGTAASA-N 321.381 -0.117 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(C(=O)c2cncn2C)C[C@H]1O 1757562099 FBJFZMRXTQDMSW-DGCLKSJQSA-N 322.365 -0.686 30 20 DBED C[C@@H](NC=O)C(=O)N1CC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1781246123 XZNSPFNZAZRJCD-DOMZBBRYSA-N 322.365 -0.745 30 20 DBED C#CCCC(=O)N1CCO[C@@]2(CCN(C(=O)C3CN(C)C3)C2)C1 1784788669 AOVLWDGSJCXQFB-KRWDZBQOSA-N 319.405 -0.209 30 20 DBED N#CC1(C(=O)N2CC3(CCCN3C(=O)Cn3cnnn3)C2)CC1 1843083278 IRINITFTPUHXPR-UHFFFAOYSA-N 315.337 -0.820 30 20 DBED C=CCNC(=O)NC(=O)CN1CCC[C@@H](NS(C)(=O)=O)C1 41621863 OIEOYKHZIJOPNZ-SNVBAGLBSA-N 318.399 -0.988 30 20 DBED C[C@@H](CNc1c(C#N)c(=O)n(C)c(=O)n1C)CN1CCOCC1 77995728 SKGJCMLFGIKFRF-NSHDSACASA-N 321.381 -0.664 30 20 DBED COCCOC[C@H]1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)C1 266224690 IGDWLCHDXLTKNK-NSHDSACASA-N 322.365 -0.555 30 20 DBED C#Cc1cccc(NC(=O)C(=O)N2CCO[C@H](C(=O)NC)C2)c1 272738523 BXLSYSRLKSTGLE-ZDUSSCGKSA-N 315.329 -0.420 30 20 DBED CN(C)c1cc(C#N)cc(C(=O)NC[C@H]2CC(C(N)=O)=NO2)c1 295035323 XWVWVURZCGYPFN-GFCCVEGCSA-N 315.333 -0.016 30 20 DBED C/N=C(/O)C1(C(=O)Nc2ccn(CCN3CCOCC3)n2)CC1 329217463 QEFOWMNOWKVOJI-UHFFFAOYSA-N 321.381 0.520 30 20 DBED CN1CC[C@H](N(C)/C(O)=N/[C@H]2CCCS(=O)(=O)C2)C1=O 329388038 RENWMBQTLIIWIW-UWVGGRQHSA-N 303.384 -0.360 30 20 DBED C[C@H](CN1CCCC1=O)/N=C(/O)N1CCN2C(O)=NC[C@H]2C1 329769558 HWYGLDUDDUSVAB-MNOVXSKESA-N 309.370 -0.175 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)NCCCN1CCC(O)CC1 330392516 PSYZYIAUHSSICI-LBPRGKRZSA-N 318.443 -0.241 30 20 DBED CCNC(=O)CN/C(O)=N/C[C@H]1CCCN1S(C)(=O)=O 330409925 IWCBKONNTLIXTL-SECBINFHSA-N 306.388 -0.950 30 20 DBED C=CCNC(=O)CN1CCC(N2CCS(=O)(=O)CC2)CC1 330702920 INEGKUGJLZLDMD-UHFFFAOYSA-N 315.439 -0.517 30 20 DBED C=C[C@](C)(O)CC(=O)NCCC(=O)N1CCN(C(C)=O)CC1 330990117 YCOJRCSADWVWTH-HNNXBMFYSA-N 311.382 -0.490 30 20 DBED N#CC1(NC(=O)CNC(=O)c2ncccc2O)CCOCC1 337910642 PPWQSBHOPZYADX-UHFFFAOYSA-N 304.306 -0.294 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N[C@H]1CS(=O)(=O)C[C@@H]1C 341949373 HMFZPCSINRVHJA-UTLUCORTSA-N 309.413 -0.655 30 20 DBED C=CCN1CCC(NC(=O)C(=O)NCCn2cccn2)CC1 342923546 QZRSQVZLOSJAIU-UHFFFAOYSA-N 305.382 -0.234 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCCC[C@@H](O)CC)C1=O 352401709 RSFFUPNDFDTZQV-JTQLQIEISA-N 311.338 -0.370 30 20 DBED C=CCOC[C@H](NC(=O)CN(C)S(=O)(=O)CC)C(=O)OC 360724550 CKTBXQVDAJAZAP-JTQLQIEISA-N 322.383 -0.872 30 20 DBED N#CCC1(O)CN(C(=O)[C@H]2COCCN2CC(F)(F)F)C1 377324309 XCBJLSNXYZTEJR-SECBINFHSA-N 307.272 -0.264 30 20 DBED C=CCn1cc(CNC(=O)CCC(=O)N2CCOCC2)nn1 424927645 XBKPACKISIILNC-UHFFFAOYSA-N 307.354 -0.281 30 20 DBED CC(C)NS(=O)(=O)NCCNC(=O)N(C)C[C@H](C)C#N 429142014 MNUSCJQSXNTKIT-SNVBAGLBSA-N 305.404 -0.380 30 20 DBED C=CCNC(=O)C(=O)Nc1ccc(OC)c(-n2cnnn2)c1 441588564 SJIBQVKVDPGJOO-UHFFFAOYSA-N 302.294 -0.088 30 20 DBED COCCN(CC#N)C(=O)CN1C(=O)NC2(CCCC2)C1=O 457184691 SNURVYCNXITRNM-UHFFFAOYSA-N 308.338 -0.150 30 20 DBED COC(=O)[C@H](NS(=O)(=O)c1cnc(C)c(C#N)c1)[C@@H](C)O 489652994 KAQUIFHYKYXXTQ-LDYMZIIASA-N 313.335 -0.538 30 20 DBED C#CCN(CC#N)C(=O)c1cc(S(N)(=O)=O)ccc1OC 491023466 XQPLKLVACJXXJL-UHFFFAOYSA-N 307.331 -0.058 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2cc(C)nn2C)CC1 491125738 GTFKNYKYAPMESA-UHFFFAOYSA-N 303.366 -0.764 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@@]2(C)CCCOC2)CC1 491429927 WMYONTZKNXZPTJ-INIZCTEOSA-N 307.394 -0.303 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@@H]1C=C[C@H](C(=O)O)C1 563227205 TZZNLGOGFGMRAN-WDEREUQCSA-N 317.367 -0.288 30 20 DBED N#C[C@H]1CN(S(=O)(=O)N2CCC[C@H](CCO)CC2)CCO1 566493141 MIFIOTATOZBMRT-STQMWFEESA-N 317.411 -0.060 30 20 DBED N#Cc1ccc(F)c(CS(=O)(=O)N2C[C@@H](O)[C@@H](CO)C2)c1 581558794 AMBWUICQBQEEHU-DGCLKSJQSA-N 314.338 -0.188 30 20 DBED CS(=O)(=O)c1ncn(C[C@H](O)COc2ccc(C#N)cc2)n1 611112653 SCIYLXDDXUOOCS-NSHDSACASA-N 322.346 -0.007 30 20 DBED C#CCOCCC(=O)N(CCN1CCOCC1)CC(=O)OC 755880729 QTJCWMPUQXUFOK-UHFFFAOYSA-N 312.366 -0.640 30 20 DBED CN1CC[C@@](O)(CNC(=O)C#Cc2ccc3c(c2)OCO3)C1 762723727 UKSFDGPDDLBIDJ-MRXNPFEDSA-N 302.330 -0.050 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N1CCN(C[C@H](C)O)CC1 807097999 UYIUSCIUTDBHJF-LBPRGKRZSA-N 319.427 -0.705 30 20 DBED CN(C)c1ccc(NC(=O)C(=O)NCC(=O)NCC#N)cc1 807403112 ULXBYQXBRZZPGJ-UHFFFAOYSA-N 303.322 -0.553 30 20 DBED N#CCNC(=O)CNC(=O)N1CCC[C@@H](N2CCCCC2=O)C1 807553846 ZRWNCNNFJMRTKY-GFCCVEGCSA-N 321.381 -0.187 30 20 DBED C#C[C@H](NC(=O)C(=O)N1[C@H]2CC[C@H]1CC(O)C2)[C@H]1CCCO1 809307501 DUUMCMXNWZLRRM-AUZPSNTRSA-N 306.362 -0.202 30 20 DBED CC#CCS(=O)(=O)NC(=O)[C@H]1CCCCN1S(C)(=O)=O 810778821 NXVRYHKQAOKNHP-SNVBAGLBSA-N 322.408 -0.730 30 20 DBED CC(=NNC[C@@H](C)O)c1ccc(S(=O)(=O)CC(N)=O)cc1 814965875 PQQOQQFOMHTDMN-SECBINFHSA-N 313.379 -0.360 30 20 DBED N#CCCS(=O)(=O)NC(=O)CCn1cc([N+](=O)[O-])cn1 821582114 CZFWVRVHCNJQGU-UHFFFAOYSA-N 301.284 -0.459 30 20 DBED COC(=O)CN(CC(=O)O)C(=O)C#Cc1ccc2c(c1)OCO2 831164698 SOOYMESYUYHMBG-UHFFFAOYSA-N 319.269 -0.147 30 20 DBED CNS(=O)(=O)c1csc(C(=O)N[C@H]2CNC[C@H]2C#N)c1 834480555 RZFJQAWHNWQQAN-APPZFPTMSA-N 314.392 -0.502 30 20 DBED C[C@H]1CN(C(=O)NCCNc2ncccc2C#N)CC(=O)N1 837859332 MOQUKUDCMZFDKK-JTQLQIEISA-N 302.338 -0.105 30 20 DBED C=CCN1CCN(CN(C)[C@@H]2CCN(S(C)(=O)=O)C2)C1=O 840078399 PMJDVDGUZBTTFZ-GFCCVEGCSA-N 316.427 -0.167 30 20 DBED C#CC[C@@H](CCOC)NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 863786940 KPKLRSOICWZDDF-KBPBESRZSA-N 309.410 -0.059 30 20 DBED C#C[C@H](NC(=O)C(=O)NCCO[C@H]1CCOC1)[C@@H]1CCCO1 930467354 QOWUECDKDPSFOD-AVGNSLFASA-N 310.350 -0.795 30 20 DBED CCn1cc(CC(=O)N[C@@H]2CCN(C(=O)C#CC3CC3)C2)nn1 942089926 AZKUOYFXNJTXMY-CYBMUJFWSA-N 315.377 -0.029 30 20 DBED C[C@@H]1CN(CC#N)CC[C@H]1NC(=O)CN1CCN(C)C(=O)C1 942201390 VAMVCDMTZZYUCM-CHWSQXEVSA-N 307.398 -0.889 30 20 DBED C#Cc1ccc(C(=O)N(CC)[C@H]2CCN(C(=O)C(N)=O)C2)cn1 942892971 LJBMIJPINAYADZ-ZDUSSCGKSA-N 314.345 -0.389 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CN2C(=O)CCC2=O)[C@@H](C)C1 944832873 XUQGNWOYHXKGAK-QWHCGFSZSA-N 305.378 -0.015 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(CC1)CN(C(=O)Cc1nc[nH]n1)C2 945030521 KRHLZOYKPATMGL-NSHDSACASA-N 316.365 -0.042 30 20 DBED CN1CCO[C@H](C(=O)N2CCOC3(CCN(CC#N)CC3)C2)C1 949061386 YUDFPCVFNREDHZ-AWEZNQCLSA-N 322.409 -0.466 30 20 DBED CC#CCN1CCOC2(CCN(C(=O)Cn3ncnn3)CC2)C1 949366136 WETFEGWLLSOQJW-UHFFFAOYSA-N 318.381 -0.610 30 20 DBED C#CCCN1CC(N(CC)C(=O)c2cnc(O)n(C)c2=O)C1 951120876 ZVVSNWVJJJHVGO-UHFFFAOYSA-N 304.350 -0.345 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@]2(CCN(C(=O)Cn3nccn3)C2)C1 953174133 GJQCJMICTKRQNI-SWLSCSKDSA-N 316.365 -0.111 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@@H](CNC(=O)C2CS(=O)(=O)C2)C1 958095790 BUFZBILAKFSOMC-GXSJLCMTSA-N 322.814 -0.808 30 20 DBED C=CCN1C[C@@H](O)[C@@H](CNC(=O)c2cnn3c2OCCC3)C1 958220276 WEOTWCSTDZHIDH-WCQYABFASA-N 306.366 -0.126 30 20 DBED CC#CCN1C[C@H](CNC(=O)c2cccc(=O)n2C)[C@@H](O)C1 958393938 AXVFJWIESBRGMN-JSGCOSHPSA-N 303.362 -0.569 30 20 DBED C#CCCN1C[C@@H](O)[C@H](CNC(=O)c2cccnc2C(N)=O)C1 958715837 ITKAHMIQHNHJHA-DGCLKSJQSA-N 316.361 -0.774 30 20 DBED C#CCCN1C[C@H](CNC(=O)c2ccc(C(N)=O)cn2)[C@@H](O)C1 958744404 MQIGEGZOYCYNBA-JSGCOSHPSA-N 316.361 -0.774 30 20 DBED CN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CN(C(=O)C(F)F)C[C@@H]1O 958826622 CCAKREHHTJRKEJ-UWVGGRQHSA-N 312.276 -0.205 30 20 DBED Cn1nnc(C(=O)NC2[C@@H]3CN(CC#Cc4ccccc4)C[C@@H]23)n1 961506499 SBNGQCZFTYKPQT-ZIAGYGMSSA-N 322.372 -0.078 30 20 DBED Cn1nccc1C(=O)NC[C@@H]1COCCN1C(=O)C#CC1CC1 964118608 PCYOYDVONKDTRP-CYBMUJFWSA-N 316.361 -0.209 30 20 DBED C=C1CC(C)(C(=O)N2CC3(CN(C(=O)CC(N)=O)CCO3)C2)C1 965332165 GAELJQNVMKOYJK-UHFFFAOYSA-N 321.377 -0.342 30 20 DBED O=C(N[C@H]1COC2(C1)CN(C(=O)C#CC1CC1)C2)c1nc[nH]n1 965768495 DMHZMGQEMUKGRR-LLVKDONJSA-N 315.333 -0.682 30 20 DBED N#CCN1CCCCC[C@@H]1CNC(=O)[C@@H]1CC(=O)NC(=O)N1 969053853 NBBCHWBDYJIMGU-MNOVXSKESA-N 307.354 -0.531 30 20 DBED C=CCN1C[C@H](NC(=O)Cn2ccc(O)nc2=O)C(C)(C)C1 974782469 KRDBJRDXGIOZCA-NSHDSACASA-N 306.366 -0.039 30 20 DBED C#CCN1C[C@H](NC(=O)Cn2nc(C)n(C)c2=O)C(C)(C)C1 977536862 DZZISLNNTJNDML-LBPRGKRZSA-N 305.382 -0.650 30 20 DBED Cn1nnnc1CN1CCCN(C(=O)c2c[nH]c(C#N)c2)CC1 981001544 OQEUWKBGIWHCPS-UHFFFAOYSA-N 314.353 -0.242 30 20 DBED C#CCN1CCCC2(C1)CN(C(=O)CN1CCOCC1=O)C2 981816325 WYWLVAHRYJFLNN-UHFFFAOYSA-N 305.378 -0.597 30 20 DBED NC(=O)C(=O)N1C[C@H]2CC[C@H]1[C@@H]1CN(C(=O)C#CC3CC3)C[C@@H]21 984252451 NVUQCOHXQUZILN-RQJABVFESA-N 315.373 -0.420 30 20 DBED CC[C@@H]1[C@@H](NC(=O)Cn2ncnn2)CCN1C(=O)[C@H](C)C#N 984912151 UUAFTZZJJFSZEW-OUAUKWLOSA-N 305.342 -0.672 30 20 DBED CN(C[C@H]1CCN(C(=O)C#CC2CC2)C1)C(=O)c1nnn(C)n1 987984173 BACXCQGMSGLRBZ-GFCCVEGCSA-N 316.365 -0.456 30 20 DBED Cc1c[nH]c(C(=O)N[C@H]2CCN(C(=O)C#CC3CC3)C[C@H]2O)n1 991508662 MCBQREWMQKEBLK-QWHCGFSZSA-N 316.361 -0.177 30 20 DBED C#CCN1CCC(C(=O)N2CC(NC(=O)c3cnco3)C2)CC1 996673806 INNYEGHIYSIIDW-UHFFFAOYSA-N 316.361 -0.040 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)Cn3cnnn3)C2)cc1 997335791 WWOQUXRCWZCJDF-UHFFFAOYSA-N 310.317 -0.705 30 20 DBED COCCN1C[C@@H](C(=O)N(C)C2CC(NCC#N)C2)CC1=O 998863519 SDMDWGMAHLQCMJ-HIFPTAJRSA-N 308.382 -0.416 30 20 DBED C=C(Cl)CN[C@@H]1CCCN(C(=O)CN2CC(=O)NC2=O)C1 1000477855 XRJWOMJNBMGMNC-SNVBAGLBSA-N 314.773 -0.129 30 20 DBED N#Cc1c[nH]c(C(=O)NCC2CN(C(=O)[C@H]3COCCO3)C2)c1 1001333279 AXWOKNKSZQFSFY-CYBMUJFWSA-N 318.333 -0.510 30 20 DBED N#Cc1ccc(C(=O)NCC2CN(C(=O)c3cnon3)C2)[nH]1 1001481673 CAHLMPJSSPARGT-UHFFFAOYSA-N 300.278 -0.229 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@H](CNC(=O)c3cnnn3C)[C@H]2C1 1009002276 MSCCJMOFAZSTMV-DBIOUOCHSA-N 302.338 -0.591 30 20 DBED C=CCCn1cc(C(=O)N2CCN(C(=O)CC(N)=O)CC2)nn1 1010813797 YCBWTXGVSPFVGU-UHFFFAOYSA-N 320.353 -0.986 30 20 DBED C[C@@H](C#N)C(=O)N1CC=C(CNC(=O)[C@@H]2CCNC2=O)CC1 1017619314 XLGWTONZHYKXKM-CMPLNLGQSA-N 304.350 -0.443 30 20 DBED N#Cc1c[nH]c(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCOC3)C2)c1 1023158047 XYGRETGIJRHPOO-RAIGVLPGSA-N 318.333 -0.776 30 20 DBED C#CCCN1C[C@H]2[C@H](NC(=O)[C@]34C[C@H]5C[C@H](C(=O)N3)[C@H]4C5)[C@H]2C1 1025838352 VPFHANDNCYRTAI-KTDVTOOXSA-N 313.401 -0.029 30 20 DBED C=C(Cl)CN1CC[C@H](CNC(=O)[C@@H]2CCS(=O)(=O)N2)C1 1028990781 QQWFEINBTQXLLM-MNOVXSKESA-N 321.830 -0.131 30 20 DBED C#CCCN1[C@H]2CC[C@H]1CN(C(=O)[C@H]1CN(C(C)=O)CCO1)C2 1029570449 YLFRKKJKWNBECP-HRCADAONSA-N 319.405 -0.068 30 20 DBED C=C(Br)CN1CC(NC(=O)[C@H]2CCC(=O)N2)C1 1030154868 MTQFWRDTZXNQAN-SECBINFHSA-N 302.172 -0.026 30 20 DBED CC#CCN1CC(CNC(=O)c2cn([C@@H]3CCOC3)nn2)C1 1032112899 OCLBAZCXOJLWBF-CYBMUJFWSA-N 303.366 -0.076 30 20 DBED C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)CCc1nnc(O)nc1O 1032495666 UNQRRPMZXJGZRW-QWRGUYRKSA-N 317.349 -0.476 30 20 DBED C=CCCN1CCO[C@H](CNC(=O)C2CC(=O)NC(=O)C2)C1 1035548166 ZJYLSTLAVOFUIX-GFCCVEGCSA-N 309.366 -0.568 30 20 DBED C#CCCN1CCO[C@H](CNC(=O)c2cccn(C)c2=O)C1 1035587115 WEHUSIHKUOKERT-CYBMUJFWSA-N 303.362 -0.161 30 20 DBED C#CCN1CC[C@H]2CN(C(=O)Cn3ccc(O)nc3=O)CC[C@@H]21 1036763478 BFBKZQCUOTZZJE-STQMWFEESA-N 316.361 -0.495 30 20 DBED Cc1ccnc(C(=O)NC[C@@]2(O)CCN(C(=O)[C@H](C)C#N)C2)n1 1039596621 WCMZZJVAHADQKA-BMIGLBTASA-N 317.349 -0.362 30 20 DBED C=CCOCC(=O)N1CC[C@@](O)(CNC(=O)c2nonc2C)C1 1040221584 WASTVUNGKLAJPU-CQSZACIVSA-N 324.337 -0.726 30 20 DBED C=C(C)CCC(=O)N1CC[C@](O)(CNC(=O)c2cnn(C)n2)C1 1040303223 UAWZVGMFNGUKJX-HNNXBMFYSA-N 321.381 -0.135 30 20 DBED Cc1c[nH]cc1C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1O 1041050650 GFOATSNZZYMFLN-CHWSQXEVSA-N 312.333 -0.036 30 20 DBED N#Cc1cncc(N2C[C@@H](O)[C@H](NC(=O)Cc3ccc[nH]3)C2)n1 1041058619 YMHDAEYIVJRTIX-CHWSQXEVSA-N 312.333 -0.415 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2cnccn2)C1 1041262262 SZUYFNJULHHRJQ-NSHDSACASA-N 320.349 -0.629 30 20 DBED CC[C@@H](F)C(=O)N1CC(O)(CNC(=O)CSCC#N)C1 1041575677 ZXUGUVRAPYVWCT-SECBINFHSA-N 303.359 -0.319 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)Cc2nonc2C)C1 1041960213 IKRFORYHGHIPCH-UHFFFAOYSA-N 308.338 -0.424 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@@H](C)CO2)C1 1042039942 MIOHTQOVAOQPDT-NEPJUHHUSA-N 312.366 -0.697 30 20 DBED N#CCN1CC[C@@H]2CCN(C(=O)CN3CCCNC3=O)C[C@H]21 1042136170 RPLBIZZAWNPFMN-CHWSQXEVSA-N 305.382 -0.152 30 20 DBED C=CCC(CC=C)C(=O)N1CC(O)(CNC(=O)CC(N)=O)C1 1042220263 ORPFUHOGAWVWQV-UHFFFAOYSA-N 309.366 -0.680 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)[C@@H](C)C2CC2)C1 1042378416 RPIRTXGBOSLGEZ-LBPRGKRZSA-N 308.378 -0.238 30 20 DBED COC1(CC(=O)NCC2(O)CN(C(=O)[C@H](C)C#N)C2)CCC1 1042797564 PQFGVIHTZNDVPB-LLVKDONJSA-N 309.366 -0.205 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(O)CN(C(=O)[C@H](F)CC)C1 1042815011 VGTAHBJVPMFSKQ-ZWNOBZJWSA-N 302.346 -0.249 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2C2CC2)C1 1043040962 CWVRRRHWOYOWPS-KWCYVHTRSA-N 320.389 -0.240 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CO[C@@H](C)C2)C1 1043632697 MFIUJRYAHBGWTL-STQMWFEESA-N 324.377 -0.859 30 20 DBED C#CCCN1CC(N(C)C(=O)[C@H]2CCc3nnnn3CC2)C1 1043931422 GFCIDQYESCFCEY-LBPRGKRZSA-N 302.382 -0.209 30 20 DBED N#CCN1CC[C@H](N2CCN(C(=O)[C@@]3(F)CCOC3)CC2)C1 1046055812 HWCDBXHJNMBZJL-DZGCQCFKSA-N 310.373 -0.143 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@@H](N(C)C(=O)c2nnn(C)c2C)C1 1047334296 CYQMXEKWZMGJBR-QWRGUYRKSA-N 313.789 -0.007 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@]23CCCN(CC2)C3)C1 1047611996 PAPAYMMQFDQUSJ-ZOBUZTSGSA-N 305.422 -0.001 30 20 DBED C=C(C)CN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCN2C(N)=O)C1 1047645110 GAJGHPXERSQZSK-AVGNSLFASA-N 310.398 -0.391 30 20 DBED C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C1CC(=O)NC(=O)C1 1049783703 QXBGIFGBCUAIHV-CHWSQXEVSA-N 303.362 -0.262 30 20 DBED C#CCCN1CCOC[C@H]1CNC(=O)[C@H]1CN(C)C[C@@H](C)O1 1050987991 WMIAPOPTPAYZQX-RBSFLKMASA-N 309.410 -0.454 30 20 DBED N#Cc1nccnc1N1CC[C@@H](NC(=O)c2cocn2)[C@@H](O)C1 1051637323 HPCBUUNBNMAJQS-SKDRFNHKSA-N 314.305 -0.294 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H]1CN(C(=O)CCOC)C[C@H]1C 1051720480 HXYWXZLXPAOTQE-OLZOCXBDSA-N 323.393 -0.627 30 20 DBED N#CCN1CCN([C@@H]2CCN(C(=O)Cc3nc[nH]n3)C2)CC1 1052106588 OUOVOPHPKBJYDJ-GFCCVEGCSA-N 303.370 -0.911 30 20 DBED C=CCn1cc(C(=O)N[C@H]2COC3(C2)CN(C[C@H](C)O)C3)nn1 1053949389 GDTPOWGFVLBYEH-NWDGAFQWSA-N 321.381 -0.582 30 20 DBED N#Cc1cnc(N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)Cc2nc[nH]n2)cn1 1055097819 CLIKMWLMRUQPAX-WOPDTQHZSA-N 324.348 -0.065 30 20 DBED Cn1ncc(C(=O)NC2[C@@H]3CN(c4nccnc4C#N)C[C@@H]23)n1 1056257356 PYVSOIFPUAZIOX-RKDXNWHRSA-N 310.321 -0.659 30 20 DBED CN(c1nccnc1C#N)[C@@H]1CCN(C(=O)Cn2ncnn2)C1 1056967709 IJEINFJEYWHVRM-SNVBAGLBSA-N 313.325 -0.928 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)[C@@H](OC)C1CC1 1057465528 KAVWDYXPCDVXAU-AWEZNQCLSA-N 314.382 -0.449 30 20 DBED C#CCOCCC(=O)N(CCO)CCNC(=O)[C@H](C)OCC#C 1057581088 LLBYZAWPKPLYGI-AWEZNQCLSA-N 324.377 -0.998 30 20 DBED C#CCO[C@H](C)C(=O)N(CCO)CCNC(=O)c1cc[nH]c1C 1057583147 IBFVQVKKWSTEAL-CYBMUJFWSA-N 321.377 -0.088 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)c1ccn(C)n1 1057637024 DPGRYPCJZVFORD-UHFFFAOYSA-N 310.354 -0.827 30 20 DBED C[C@]1(C(=O)N[C@@H]2CCN(c3ccnc(C#N)n3)C2)CNC(=O)C1 1058493828 DNEBNIVPMXRPEW-MEBBXXQBSA-N 314.349 -0.431 30 20 DBED Cn1ncc(C(=O)N2CC[C@H](Nc3cncc(C#N)n3)C2)c1N 1058879101 NHBZCLHXNAZOET-VIFPVBQESA-N 312.337 -0.009 30 20 DBED C=CCOCC(=O)N1CC[C@@H](CCNC(=O)Cc2nc[nH]n2)C1 1059338019 WHFNBFRJTMCYJW-GFCCVEGCSA-N 321.381 -0.095 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](CCNC(=O)CC(=O)N(C)C)C1 1060294632 LLXQCIQEIPBFSW-VXGBXAGGSA-N 308.382 -0.021 30 20 DBED C=CCOCC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1CCOC1 1061387059 XXNRZSQVNQBDPU-OLZOCXBDSA-N 312.366 -0.431 30 20 DBED C=CCOCC(=O)NC[C@H]1COCCN1C(=O)[C@H](O)C(C)C 1061423886 NVFUZAHSNAJZMK-GXTWGEPZSA-N 314.382 -0.451 30 20 DBED CCNC(=O)CC(=O)N1CCOC[C@@H]1CNC(=O)C#CC1CC1 1061569475 FVLQAXPKKFZNGK-ZDUSSCGKSA-N 321.377 -0.730 30 20 DBED C=CCCC(=O)N1CCOC[C@H]1CNC(=O)Cn1nccn1 1061616308 HPWRIESFDKTVBN-GFCCVEGCSA-N 307.354 -0.412 30 20 DBED CC(C)N(C)CC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H](C)C#N 1061852507 JBVNGPUUCDUYGM-STQMWFEESA-N 310.398 -0.170 30 20 DBED C=CCOCC(=O)NCC1(NC(=O)Cn2nccn2)CCC1 1062703773 OGBOJBRJDOWCTJ-UHFFFAOYSA-N 307.354 -0.364 30 20 DBED N#Cc1cnc(N2CCO[C@H](CNC(=O)[C@@H]3CCCO3)C2)cn1 1063605259 GDXMTMVNMFKEQB-OLZOCXBDSA-N 317.349 -0.151 30 20 DBED Cc1cc(=N[C@H]2CCN(C(=O)C(N)=O)[C@@H](C)C2)c(C#N)c[nH]1 1064823005 KZVCLRQZOHOJGP-JQWIXIFHSA-N 301.350 -0.040 30 20 DBED C#CCCCC(=O)N1CCO[C@H](CNC(=O)CN(C)C(C)=O)C1 1065100082 VRVJBPVICSDXMC-CQSZACIVSA-N 323.393 -0.388 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)Cn2nccn2)CCO1 1065194312 BMLLDJIJRKRWAY-LBPRGKRZSA-N 307.354 -0.412 30 20 DBED N#Cc1c[nH]c(C(=O)N2CCC[C@@H](NC(=O)CC(N)=O)CC2)c1 1066008599 PSYVJXAJXQYYSP-LLVKDONJSA-N 317.349 -0.127 30 20 DBED N#Cc1ccc(N2CCOC[C@H]2CNC(=O)c2cn[nH]c2)nn1 1066467053 YRRGIJZIOXOBAR-GFCCVEGCSA-N 313.321 -0.293 30 20 DBED CN(CCCN(C)C(=O)Cn1nccn1)C(=O)CSCC#N 1066871707 KQMMWBXQDFFYAM-UHFFFAOYSA-N 324.410 -0.158 30 20 DBED CC(C)C#CC(=O)N1CC2(C[C@H](NC(=O)CC(N)=O)CO2)C1 1068778077 AFRNBBMGNCNZKY-NSHDSACASA-N 307.350 -0.993 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1COC2(C1)CN(C(=O)CCC)C2 1068818742 BFDWPIIXXXTJJC-GFCCVEGCSA-N 321.377 -0.588 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1COC2(C1)CN(C(=O)c1cnccn1)C2 1069003158 KLHJKHCABCQXDC-MNOVXSKESA-N 315.333 -0.264 30 20 DBED Cn1cnc([C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2NCC(N)=O)c1 1070492409 XJYCADFNUQQOJN-GXTWGEPZSA-N 315.377 -0.797 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCCN(C(=O)COC(C)C)C1 1070509921 OICDQIIAVZPYSO-CYBMUJFWSA-N 323.393 -0.342 30 20 DBED C=CCOCC(=O)N1CCC[C@@H](NC(=O)[C@H]2CCNC(=O)C2)C1 1070554678 ZVFITYVGYVAIPX-QWHCGFSZSA-N 323.393 -0.178 30 20 DBED C=C(C)CN1C[C@H]2C[C@H]3CN(C(=O)Cn4cnnn4)C[C@@]3(C1)O2 1070757609 WQHKZNVUZSFLMK-GZBFAFLISA-N 318.381 -0.449 30 20 DBED C[C@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@]2(CCN(CC#N)C2)O1 1071202546 WQZFGMNWHSDAQH-XHDPSFHLSA-N 317.349 -0.401 30 20 DBED C#CCOCCC(=O)N[C@H]1CN(C(=O)c2[nH]nnc2C)C[C@H]1C 1072494420 YIAPADKASWTKDT-PWSUYJOCSA-N 319.365 -0.270 30 20 DBED C=C(C)CN1CCC2(C1)CN(C(=O)C[C@@H]1NC(=O)NC1=O)C2 1072822640 QXFFSZUFBHPSKH-NSHDSACASA-N 306.366 -0.305 30 20 DBED CC#CCN1CCO[C@@H]2CCN(C(=O)CCn3ccnn3)C[C@@H]21 1074225094 BITPXXXLMRCHSF-LSDHHAIUSA-N 317.393 -0.007 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CCN(C(=O)CSCC#N)CC1 1074486444 YKNSIAVPBZONCJ-LLVKDONJSA-N 324.406 -0.127 30 20 DBED C[C@H]1C[C@@H](NC(=O)CC(N)=O)CCN1C(=O)c1cc(C#N)c[nH]1 1074908195 WIRMUZZGNAYVFA-ONGXEEELSA-N 317.349 -0.129 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CNC(=O)c3ccccc32)C1 1077147081 ASFAAOFCHTWAEF-RRFJBIMHSA-N 315.373 -0.139 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCS(=O)(=O)C2)C1 1077333828 QALGQGZQAZCMRI-JHJVBQTASA-N 316.423 -0.451 30 20 DBED C[C@@H]1CN(CCS(C)(=O)=O)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 1079543765 RVYDIZJSCRSCPW-ZWNOBZJWSA-N 324.406 -0.019 30 20 DBED C#CCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)CCCC(N)=O)C1 1079778061 OSFHJRNIZOSAET-LBPRGKRZSA-N 323.393 -0.260 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(N(CC)C(=O)[C@@H]2CCC(=O)N2)C1 1080183818 IBBRCODZQOZSBU-BLLLJJGKSA-N 323.393 -0.349 30 20 DBED C#CCOCCC(=O)N1CC(N(CC)C(=O)[C@H](C)CC(N)=O)C1 1080217921 PEBWTGMPZIVABP-GFCCVEGCSA-N 323.393 -0.403 30 20 DBED CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)c2cnc(O)n2C)C1 1080420368 SODKCGKGCCRDNG-VIFPVBQESA-N 305.338 -0.042 30 20 DBED C#CCCCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CNC(C)=O)C1 1081204091 DVNDYABFAVVYQV-UONOGXRCSA-N 323.393 -0.748 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)c2[nH]c(O)nc2C)C[C@H]1O 1081338291 ORXVWNYNPLQSNJ-GHMZBOCLSA-N 322.365 -0.061 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(C(=O)/C(C)=C\C)C[C@H]1O 1081488438 IFSFRRJCQMTTNM-SNBRUFEUSA-N 308.378 -0.072 30 20 DBED C=CCC(C)(C)C(=O)NC[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1O 1081490321 CWIGFLYHANPFNG-GHMZBOCLSA-N 311.382 -0.600 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)c2ccn(CCN(C)C)n2)C1 1083470233 GRDAAVBEYATJDK-CABCVRRESA-N 319.409 -0.757 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCc3n[nH]cc3C2)C1 1083948597 AJEHSIYJJCIMJW-GLQYFDAESA-N 302.378 -0.301 30 20 DBED C#CCCN1CC[C@@H]2CN(C(=O)CCn3ncn(C)c3=O)[C@@H]2C1 1084545375 HKGZALNTQIFJOD-ZIAGYGMSSA-N 317.393 -0.472 30 20 DBED C=CCN1CC[C@@H]2CCN(C(=O)[C@H]3CCS(=O)(=O)N3)C[C@@H]21 1085095726 HMZOZSZLCKNNJK-UPJWGTAASA-N 313.423 -0.213 30 20 DBED C#CCN1CC[C@H](NC(=O)Cn2cc(C3CC3)cn2)[C@@H](O)C1 1090376404 WPYCNBQFRGAWRG-GJZGRUSLSA-N 302.378 -0.055 30 20 DBED COC[C@@H](OC)C(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@@H]1O 1091177054 APEXDTFNZUYWEQ-KWCYVHTRSA-N 320.349 -0.720 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)c3nccnc3N)c3nccn32)C1 1092355321 BDEYZYLYNWGYSJ-SNVBAGLBSA-N 324.348 -0.335 30 20 DBED N#Cc1cccnc1N1C[C@H]2C(NC(=O)C3(C(N)=O)CC3)[C@@H]2C1 1093357351 XPHREQGHGJFNTP-GHMZBOCLSA-N 311.345 -0.230 30 20 DBED Cc1nc(C(=O)N2CCN(CC#N)[C@H]3CS(=O)(=O)C[C@H]32)co1 1094626233 YNHSGERLLJTREW-NWDGAFQWSA-N 324.362 -0.570 30 20 DBED C#CCN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN1C(=O)CN(C)C1=O)C2 1095052723 YHUNFJPASDZQOV-AVGNSLFASA-N 318.377 -0.517 30 20 DBED N#Cc1ccc(N2CCC(CNC(=O)CC(N)=O)CC2)nn1 1095344822 QCSQIRUXWWMEKJ-UHFFFAOYSA-N 302.338 -0.444 30 20 DBED CNC(=O)CC(=O)NC1CCN(c2nc(C)cc(C#N)n2)CC1 1095406840 UUQSZCPBTZKGNR-UHFFFAOYSA-N 316.365 -0.122 30 20 DBED CCNC(=O)CC(=O)N[C@@H]1CCN(c2cncc(C#N)n2)C1 1096359623 FDKKGZVPVUSTIS-SNVBAGLBSA-N 302.338 -0.431 30 20 DBED C[C@H](CC(N)=O)C(=O)N1CC[C@H](Nc2ccc(C#N)nn2)C1 1096973824 TUXOZMLMZFUEDR-KOLCDFICSA-N 302.338 -0.127 30 20 DBED C[C@H](CC(=O)N[C@H]1C[C@@H](Nc2cncc(C#N)n2)C1)NC(N)=O 1097225183 PQLIPEIHRXQJFA-BBBLOLIVSA-N 317.353 -0.146 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CCS(=O)(=O)N1)Nc1ccc(C#N)cn1 1097874562 JCXOWPDSEAPRKZ-ONGXEEELSA-N 323.378 -0.438 30 20 DBED C#CCCN(CCO)C1CCN(C(=O)CCn2cnnn2)CC1 1098509355 DDXBTUFGLYWSTQ-UHFFFAOYSA-N 320.397 -0.628 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)[C@H]1COC(=O)N1)C[C@@H](C)O2 1098592479 NHZVFPRYFNZIML-CHWSQXEVSA-N 321.377 -0.190 30 20 DBED CC(=O)NCC(=O)N[C@H]1CN(CC#N)CC2(CCOCC2)C1 1099559741 HKHIHBRWUVCSPX-CYBMUJFWSA-N 308.382 -0.367 30 20 DBED C=C(Cl)CN1CC[C@H](NC(=O)CNC(=O)NC)[C@H](O)C1 1099858576 NMXCPPCGCSGOJW-VHSXEESVSA-N 304.778 -0.781 30 20 DBED C=C(C)C(C)(C)C(=O)N[C@H]1CCN(CC(=O)NCC#N)C[C@@H]1O 1099947534 XDABOKSAWLFKAG-STQMWFEESA-N 322.409 -0.220 30 20 DBED C=CCCCN1CC[C@@H](NC(=O)c2c[nH]c(=O)cn2)[C@@H](O)C1 1099970463 YAUOWWVBUXNRSN-YPMHNXCESA-N 306.366 -0.099 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)c2ncccn2)[C@H](O)C1 1100040885 BHDCRVKFSVSPTP-CHWSQXEVSA-N 306.366 -0.156 30 20 DBED CCN(CCNC(=O)C[C@@H](C)NC(N)=O)c1ccnc(C#N)n1 1100621828 PSSZOVPZHPLGHO-SNVBAGLBSA-N 319.369 -0.262 30 20 DBED CC(=O)N(C)CC(=O)NC[C@H]1CCN(c2cnc(C#N)cn2)C1 1100960441 ZRBUQFPFWBBUKI-GFCCVEGCSA-N 316.365 -0.231 30 20 DBED N#Cc1nccc(N(CCNC(=O)[C@@H]2CCC(=O)N2)C2CC2)n1 1101368271 LRHSTWKHWZOFCI-NSHDSACASA-N 314.349 -0.288 30 20 DBED C#CCOCCC(=O)N[C@@H]1CC2(CN(CCO)C2)n2ccnc21 1101629117 KICZVMSPJJAEOE-CYBMUJFWSA-N 318.377 -0.513 30 20 DBED C=C(C)CN1C[C@@H](C)[C@H](CNC(=O)C[C@@H]2NC(=O)NC2=O)C1 1102056234 XJKMWAHNOUNUIX-UTUOFQBUSA-N 308.382 -0.155 30 20 DBED CCC(=O)NCC(=O)N(C)[C@@H]1CCN(c2cncc(C#N)n2)C1 1102702023 MNTRNGFEFYDJQD-GFCCVEGCSA-N 316.365 -0.088 30 20 DBED CC[C@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)Nc1nccnc1C#N 1103305374 BAHRCMWMGMMCHX-BBBLOLIVSA-N 302.338 -0.224 30 20 DBED CC[C@H](CNC(=O)[C@@H](CC)NC(C)=O)N=c1cc[nH]c(C#N)n1 1103317100 AGDMPJIMYNBVAO-VXGBXAGGSA-N 318.381 -0.008 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CN(c2ccc(C#N)nn2)CCO1 1104302570 YCLMPIGECRSIPB-ZYHUDNBSSA-N 300.322 -0.171 30 20 DBED C[C@H](CNc1nccnc1C#N)N(C)C(=O)Cn1cncn1 1104570796 VNTMVOMFEGZDJG-SNVBAGLBSA-N 300.326 -0.101 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)[C@H]1CCN(C)C1 1104580827 AOXHEBLIOYKROE-RYUDHWBXSA-N 302.382 -0.019 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)c1cncnc1O 1104717389 XKGBWSYWKRYMFF-VIFPVBQESA-N 313.321 -0.162 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)[C@H]1CCNC1=O 1104764107 OMDIYDYNKLTEND-ZJUUUORDSA-N 302.338 -0.835 30 20 DBED Cc1cc(=NC[C@H](C)N(C)C(=O)c2nnn(C)n2)c(C#N)c[nH]1 1104764753 TWULSNUHNHKMQS-JTQLQIEISA-N 314.353 -0.220 30 20 DBED C#CCNCc1cn(C2CN(C(=O)Cc3nonc3C)C2)nn1 1105351884 MFGUONSBIPVRNP-UHFFFAOYSA-N 315.337 -0.682 30 20 DBED N#Cc1nc(=NC[C@@H](O)CNC(=O)C2=COCCC2)cc[nH]1 1105742067 NUVQNRUVLDTYHF-LLVKDONJSA-N 303.322 -0.647 30 20 DBED COc1ccnc(NC[C@H](O)CNC(=O)c2ccc(C#N)[nH]2)n1 1105788169 GOZIYFQMGAOQPV-SNVBAGLBSA-N 316.321 -0.112 30 20 DBED CN1CC[C@@H](C(=O)NC[C@@H](O)CNc2ccc(C#N)nn2)C1 1105853080 GRBNFFCSPYOUDG-PWSUYJOCSA-N 304.354 -0.811 30 20 DBED CCn1cc(C(=O)NC[C@H](O)CNc2ccc(C#N)cn2)nn1 1105954492 XYSSOTYJCNCYQI-LLVKDONJSA-N 315.337 -0.233 30 20 DBED Cc1cncn1CC(=O)NC[C@@H](O)CNc1cnc(C#N)cn1 1106026563 KQKONATZPXRLTB-LBPRGKRZSA-N 315.337 -0.558 30 20 DBED CCC[C@@H](OCC)C(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1 1106064149 OVJYUYCFMNFDDI-NWDGAFQWSA-N 321.381 -0.136 30 20 DBED C[C@H](C(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1)C(C)(F)F 1106118055 GZSKJBWDFBIHDU-RKDXNWHRSA-N 313.308 -0.050 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1C 1106183984 YHDGWCZAKIKINE-ZIAGYGMSSA-N 305.382 -0.388 30 20 DBED C=CCOCC(=O)NC/C=C/CNc1nccn2nnnc12 1107074218 DJWQRLINXJDEKY-ONEGZZNKSA-N 303.326 -0.194 30 20 DBED C=CCCOCC(=O)N1CCN(CC)[C@H]2CS(=O)(=O)C[C@H]21 1108494082 HOFPKAOLUKFFQZ-QWHCGFSZSA-N 316.423 -0.091 30 20 DBED CC1(NC(=O)CC(N)=O)CCN(c2ccc(C#N)nn2)CC1 1110589137 AXCKQNRBLZZFAR-UHFFFAOYSA-N 302.338 -0.301 30 20 DBED N#Cc1cnc(N2CC[C@](O)(CNC(=O)c3ccon3)C2)cn1 1111051948 FGFFDXVCNSPHKV-AWEZNQCLSA-N 314.305 -0.293 30 20 DBED COCCCCC(=O)N(CCO)CCN=c1cc[nH]c(C#N)n1 1111432443 MRZOYGDKOMMXMZ-UHFFFAOYSA-N 321.381 -0.180 30 20 DBED Cc1nsc(NCCN(CCO)C(=O)CC(N)=O)c1C#N 1111441052 SNZNIVMZIVBMDU-UHFFFAOYSA-N 311.367 -0.569 30 20 DBED N#CCSCC(=O)N(CCO)CCN=c1cc[nH]c(C#N)n1 1111442055 XMQNUNKLGNGJJT-UHFFFAOYSA-N 320.378 -0.740 30 20 DBED N#Cc1c[nH]ccc1=NCCN(CCO)C(=O)C1=CCOCC1 1111457318 RZKHBGHERMZECG-UHFFFAOYSA-N 316.361 -0.045 30 20 DBED Cc1nn[nH]c1C(=O)N(CCO)CCNc1ncccc1C#N 1111535096 LMMSGNOBXMNZQJ-UHFFFAOYSA-N 315.337 -0.074 30 20 DBED Cc1c[nH]c(C(=O)N(CCO)CCN=c2cc[nH]cc2C#N)n1 1111575221 QBPKXFBKPUZLBE-UHFFFAOYSA-N 314.349 -0.047 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CCN(c2ccc(C#N)nn2)C[C@H]1C 1112401163 XLVCVJWHCJVPFU-ZYHUDNBSSA-N 316.365 -0.185 30 20 DBED CCOCCC(=O)NC[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1O 1112703162 YJLWZJJWPRNALJ-DGCLKSJQSA-N 319.365 -0.312 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)CNC(=O)CC)CC1 1112724078 MRQVVCSYXCJSLC-LBPRGKRZSA-N 310.398 -0.653 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)c2c(C)ncn2C)CC1 1112987437 IAZPDXBUBFLXOQ-ZDUSSCGKSA-N 317.393 -0.376 30 20 DBED C=C(C)CN1CCN(C(=O)CS(=O)(=O)CCOC)CC1 1113025297 MWNMQTKSCAPTLL-UHFFFAOYSA-N 304.412 -0.232 30 20 DBED COCC1(C(=O)N2CCN(CC(=O)NCC#N)CC2)CCC1 1113117993 YDQQJPATOVRJBJ-UHFFFAOYSA-N 308.382 -0.413 30 20 DBED C=CCC[C@@H](C)N1CCN(C(=O)CNS(=O)(=O)NC)CC1 1113156566 LWPDCBIGYHFYPI-GFCCVEGCSA-N 318.443 -0.461 30 20 DBED C[C@H](CNC(=O)CN1CCOCC1)N(C)c1ccnc(C#N)n1 1113558599 QBWLKQLQJIZTFG-GFCCVEGCSA-N 318.381 -0.379 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)CCc2cscn2)CC1 1113710482 MSZFRMXGUOZGSA-UHFFFAOYSA-N 321.406 -0.140 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)[C@@H](C)n3cccn3)[C@@H]2C1 1113892884 FNLMSMVHVDDTQP-JHJVBQTASA-N 315.377 -0.760 30 20 DBED C=CCOCC(=O)NC1[C@@H]2CN(Cc3nnnn3CCC)C[C@@H]12 1114047527 HLOJCXHURGSBGV-VXGBXAGGSA-N 320.397 -0.168 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)[C@@H]3CCCNC3=O)[C@H]2C1 1114433525 LGHDXVGHQUOMBB-MQYQWHSLSA-N 305.378 -0.791 30 20 DBED CC(=O)NCC(=O)NCC1[C@H]2CN(c3ccc(C#N)cn3)C[C@H]12 1114503817 VIUFMTRJUVOPFY-ZIAGYGMSSA-N 313.361 -0.112 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)[C@]3(F)CCOC3)[C@@H]2C1 1114730483 BVXDDPKYFKBVEC-HFAKWTLXSA-N 311.357 -0.536 30 20 DBED CNC(=O)NCC(=O)N[C@H]1C[C@H](CNc2cnc(C#N)cn2)C1 1114821046 UWSNFOYRSMXFPC-MGCOHNPYSA-N 317.353 -0.416 30 20 DBED CN(C(=O)c1cnn[nH]1)[C@H](CN=c1cc[nH]c(C#N)n1)C1CC1 1115588291 NISACWPQCWLERY-LLVKDONJSA-N 312.337 -0.149 30 20 DBED C[C@@](C#N)(NC(=O)CN1CCC(S(N)(=O)=O)CC1)C1CC1 1116401984 VAVQIGTXPRTJMA-ZDUSSCGKSA-N 314.411 -0.452 30 20 DBED C=C[C@H]1CCCCN1C(=O)C(=O)N1CCN2C(=O)NC[C@H]2C1 1117912933 VZHKRMOLCUIMCB-RYUDHWBXSA-N 306.366 -0.211 30 20 DBED CC[C@@H](CN1CCOCC1)NC(=O)C(=O)N1CCC(C#N)CC1 1119913786 UAHJLRUUOOFGOH-AWEZNQCLSA-N 322.409 -0.024 30 20 DBED C#CC(=O)N[C@@H](C(=O)N(C)Cc1nnc2n1CCC2)C(C)C 1120043326 JLIKRYKWVORQCB-CQSZACIVSA-N 303.366 -0.043 30 20 DBED C#CCNC(=O)CNC1CC2(C1)CC(NC(=O)COCC=C)C2 1120821150 XQXVXEDLBOVUQQ-UHFFFAOYSA-N 319.405 -0.045 30 20 DBED C[C@@H](C(=O)NC[C@H](CO)Nc1cncc(C#N)n1)n1cccn1 1121220464 GFTRYSXSWVCELX-CMPLNLGQSA-N 315.337 -0.305 30 20 DBED C=CCOCC(=O)NC[C@H](CO)Nc1ncnc2c1ncn2C 1121325070 VBSYFSPYUGYKSM-SNVBAGLBSA-N 320.353 -0.545 30 20 DBED N#Cc1cnc(N[C@@H](CO)CNC(=O)C2CCC(O)CC2)cn1 1121498205 UAOBPHVSOLPWGC-YXMLORGKSA-N 319.365 -0.212 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H](CO)Nc2cncc(C#N)n2)nc1 1121848447 YCYVNHXCLCPZBC-ZDUSSCGKSA-N 322.328 -0.073 30 20 DBED C[C@H]1[C@H](NC(=O)CC(N)=O)CCCN1c1cncc(C#N)n1 1123522696 MBKBNJJVXCMKIH-GXSJLCMTSA-N 302.338 -0.303 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)[C@@H](OC)C1CC1 1126486758 IGAIDPMLEMPHRL-AWEZNQCLSA-N 310.398 -0.121 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)[C@H](C2CC2)N(C)C)C1=O 1129443034 GXEFSQNEOKCPEZ-KBPBESRZSA-N 308.426 -0.181 30 20 DBED CCOCC(=O)N1C[C@@H]2C[C@@H]3CN(CC#CCOC)C[C@]2(C1)O3 1131174068 KTLZSHQUTCBYRY-ZMSDIMECSA-N 322.405 -0.026 30 20 DBED C=C(Cl)CNCCNC(=O)CN1CCCCS1(=O)=O 1131389188 UIIINSFQLLTCHD-UHFFFAOYSA-N 309.819 -0.130 30 20 DBED C=C(Br)CNCCNC(=O)CN1CCNC(=O)C1 1132318212 STVGQPWNALLYPD-UHFFFAOYSA-N 319.203 -0.967 30 20 DBED C#Cc1cncc(C(=O)NCCNC[C@H]2CCS(=O)(=O)C2)c1 1133592752 AIBSTGMGVUUESZ-CYBMUJFWSA-N 321.402 -0.183 30 20 DBED C=CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)CS(C)(=O)=O 1133834815 CYTGDJCSQUCHLC-GHMZBOCLSA-N 319.427 -0.794 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)C[C@@H](C)NCc1nc(O)n[nH]1 1134130210 DTUVCUSQGYMUMM-NXEZZACHSA-N 322.369 -0.977 30 20 DBED Cc1nc(CC(=O)N[C@@H](C)C[C@H](C)NCC(=O)NCC#N)n[nH]1 1134357645 YOFKALJIGMRBNU-UWVGGRQHSA-N 321.385 -0.832 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)Cc1c(C)n[nH]c1C 1150823307 UDQRHQGKMFDFJM-LBPRGKRZSA-N 307.398 -0.034 30 20 DBED C#CCCN1CCC(CCOC)(NC(=O)CNC(=O)NC)CC1 1151156001 ZCVNSTGWGQHDFC-UHFFFAOYSA-N 324.425 -0.074 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@@](C)(NC(C)=O)C(C)C 1152884306 HKGRIDCZSQKPEO-HNNXBMFYSA-N 312.414 -0.455 30 20 DBED CC#CCN(CC)[C@H](C)CNC(=O)C1CC2(C1)NC(=O)NC2=O 1155764583 XBQCAXQNAFPXTH-OPGSHWCFSA-N 320.393 -0.176 30 20 DBED C[C@@H](C#N)C(=O)NCCCN[C@H]1CCN(c2ccn(C)n2)C1=O 1155847561 ABEWDTPOGHXOII-RYUDHWBXSA-N 318.381 -0.219 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)NCCCNC(=O)[C@@H](C)C#N 1155860936 ZRQWADICSYBBHB-QWRGUYRKSA-N 309.370 -0.358 30 20 DBED C#CCN(CC)[C@H](C)CNC(=O)c1cc(=O)n2[nH]cnc2n1 1156359635 YHJCSVPOURLMME-SNVBAGLBSA-N 302.338 -0.509 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)c1cn(C)nc1CC 1160550495 CTMIDZIFBRCKEV-LBPRGKRZSA-N 319.409 -0.170 30 20 DBED N#CCNC(=O)CNCCCNC(=O)C1CCC(C(N)=O)CC1 1161594878 FOQXNLGUEUJUFF-UHFFFAOYSA-N 323.397 -0.986 30 20 DBED C=C[C@H](C)[C@H](C)C(=O)NCCCNCC(=O)N1CCNC(=O)C1 1164223998 ZAXQFSVSBUNMRY-STQMWFEESA-N 324.425 -0.501 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@@H]1CCC(=O)N1C(C)C 1164503665 RWVYBANVOUXOHC-ZDUSSCGKSA-N 322.409 -0.769 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)[C@@H](COC)OC)C1=O 1166164236 JFPDHCSFNLKSKZ-CHWSQXEVSA-N 313.398 -0.469 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)c1ccc(C(N)=O)[nH]1 1166839012 YQVRTDGROOSLKJ-SNVBAGLBSA-N 321.381 -0.486 30 20 DBED C#CCNC(=O)CNCC1(CCNC(=O)c2nc[nH]n2)CC1 1167480610 NFOBKHJMJBENNM-UHFFFAOYSA-N 304.354 -0.956 30 20 DBED COCC#CCNCCCNC(=O)[C@H](NC(N)=O)C(C)(C)C 1171135236 ADPOPRCPOLUJGU-LBPRGKRZSA-N 312.414 -0.185 30 20 DBED C=CCN(CC=C)C(=O)CNCCCC[C@H](C)NC(=O)C(N)=O 1175033322 MVUMEMSGVORYJB-ZDUSSCGKSA-N 324.425 -0.063 30 20 DBED Cc1cnn(CC(=O)N2CC[C@H](NCC(=O)NCC#N)[C@@H]2C)c1 1178224476 BVBVXEBHLSMENE-STQMWFEESA-N 318.381 -0.590 30 20 DBED N#Cc1ccc(CN[C@@H]2CCN(C(=O)CNC(N)=O)C2)s1 1180897807 UBUPLFDCPRCIAA-SECBINFHSA-N 307.379 -0.021 30 20 DBED Cn1cc(Cl)c(C(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)n1 1182818313 DOETYZMYWVRQRD-SECBINFHSA-N 324.772 -0.483 30 20 DBED CC#CCN[C@@H]1CCN(C(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 1184499852 LELRBHLVYVXIPD-YPMHNXCESA-N 301.350 -0.421 30 20 DBED COCCCC(=O)N1CC[C@H]2CN(CC(=O)NCC#N)C[C@H]21 1187031314 CCTSCFMIAMCPLJ-QWHCGFSZSA-N 308.382 -0.415 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)CCCC(C)=O)C1 1191027699 NJUOTSDSNJFLHH-MGPQQGTHSA-N 323.393 -0.955 30 20 DBED Cc1nocc1C(=O)N1CC[C@H](N(C)CC(=O)NCC#N)C1 1192102969 WSRBVULDVKCPPD-NSHDSACASA-N 305.338 -0.231 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(C[C@H](C)CC(C)C)C[C@H]1O 1192397389 YAXFPTUMGWAJHC-RBSFLKMASA-N 323.437 -0.031 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(Cc2cnsn2)C[C@H]1O 1192530151 LBWOQPSRGCRNSW-NQBHXWOUSA-N 312.395 -0.474 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H](C)CCCC)C1 1192600183 WAMAKJSBHOZDJE-MGPQQGTHSA-N 309.410 -0.277 30 20 DBED C=CCCOCCCCC(=O)N[C@@H]1CN(CCO)C[C@H]1O 1192916400 MHXBUOMDZMQYRY-ZIAGYGMSSA-N 300.399 -0.097 30 20 DBED COC[C@@H](O)CN1CCCN(C(=O)CSCC#N)CC1 1194919229 OCUVRZAAKDCMCS-LBPRGKRZSA-N 301.412 -0.215 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)CCCNC(=O)C(C)(C)C)C1 1195158422 YDSQOWOFVRVUPQ-CHWSQXEVSA-N 309.410 -0.277 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1CN(CCCO)C[C@H]1O 1196692038 RJSVMVRLBDEAAK-BFHYXJOUSA-N 313.398 -0.999 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)c2nc(C)c[nH]2)CC1 1197396959 WKXRUBJWZPMRTC-UHFFFAOYSA-N 303.366 -0.385 30 20 DBED C[C@@H](C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1O)C1CCCC1 1197650399 OBGQREPVSBCJBX-MRVWCRGKSA-N 322.409 -0.386 30 20 DBED N#CCNC[C@H]1CN(C(=O)[C@H]2CCCc3nn[nH]c32)CCCO1 1201262093 SWCHSOVOCNLQFP-RYUDHWBXSA-N 318.381 -0.045 30 20 DBED COCCC(=O)N[C@H]1C[C@H](NCC(=O)NCC#N)C12CCC2 1202271094 UJZKGEQJOFDROA-RYUDHWBXSA-N 308.382 -0.320 30 20 DBED CN(CC(=O)N1C[C@H]2CC[C@H]1[C@@H](NCC#N)C2)S(C)(=O)=O 1204399171 LTQBOQMWZBPLHX-SRVKXCTJSA-N 314.411 -0.630 30 20 DBED N#CCNC(=O)CNCC1CCN(C(=O)c2csnn2)CC1 1205782645 IDOQIHPRCOHCOW-UHFFFAOYSA-N 322.394 -0.380 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)c2cc[nH]n2)[C@H](C)C1 1206083668 VAPBSXZZUJFKGC-NQBHXWOUSA-N 303.366 -0.402 30 20 DBED COC[C@@H](O)CN1C[C@@H](NC(=O)CSCC#N)[C@H](C)C1 1206089918 HSEDIQDJDVUNHR-GRYCIOLGSA-N 301.412 -0.313 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@H]1CCCN(C(=O)c2ncn(C)n2)C1 1207982684 DBHNVEXIJIKEEW-NEPJUHHUSA-N 320.397 -0.300 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)[C@@H]2[C@H]3COC[C@H]32)[C@H](C)C1 1208366374 AKZPHOJOCYXHCW-DXUDUQDWSA-N 319.405 -0.547 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)[C@H](C)CC(N)=O)C1 1208980345 QWXXHMDJGJQAOE-NEPJUHHUSA-N 310.398 -0.619 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)C(C)(F)F)[C@H](OC)C1 1211761792 MLRRTJGRRUIGNZ-NXEZZACHSA-N 305.325 -0.241 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(Cc2ncnn2CC)C[C@H]1OC 1212032258 RVBOEIJUGOTEEH-CHWSQXEVSA-N 323.397 -0.184 30 20 DBED CO[C@@H]1CN(Cc2cnn(C)n2)C[C@H]1NC(=O)C#CC(C)C 1212233545 BQZPISUUKBLUKA-ZIAGYGMSSA-N 305.382 -0.210 30 20 DBED CC[C@@H](C(=O)N[C@@H]1CN(CC#CCOC)C[C@H]1OC)N(C)C 1213457739 CGIURINTQJLIEZ-QLFBSQMISA-N 311.426 -0.208 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@H](CC(C)C)NC(C)=O)[C@H](OC)C1 1213750176 XFJVCOWWCOCOSS-RRFJBIMHSA-N 309.410 -0.014 30 20 DBED C=CCCOCC(=O)N1C[C@@H](NCc2nnn(C)n2)[C@H](C)C1 1216913580 VADKWPPVPYMJAY-VXGBXAGGSA-N 308.386 -0.261 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C(=O)C(C)(C)C)C1 1219374048 HHYKIXDIEKNNJC-MNOVXSKESA-N 311.382 -0.935 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2nccs2)C[C@@H]1O 1219613290 DOEHSLSAADKKDJ-NEPJUHHUSA-N 309.391 -0.156 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)CC(C)(F)F)C1 1220285374 XTDGCDKYAOEZHY-ZJUUUORDSA-N 305.325 -0.505 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(CC#CCOC)C[C@@H]1O 1220524509 UHQLUCQUGHSVIJ-FZKCQIBNSA-N 322.405 -0.221 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2ncnn2C)C[C@@H]1O 1221143985 YZLWPZZPHUYSNZ-UTUOFQBUSA-N 309.370 -0.933 30 20 DBED CSCCC(=O)N1C[C@H]2CCN(CC(=O)NCC#N)C[C@H]21 1221248570 BDSIHSHTKBWJER-VXGBXAGGSA-N 310.423 -0.088 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@H]2CCN(CC(=O)NCC#N)C[C@H]21 1221538792 BUAKIIAVIWCZPU-BFHYXJOUSA-N 318.377 -0.803 30 20 DBED CCCN(C)CC(=O)N1C[C@H]2CCN(CC(=O)NCC#N)C[C@H]21 1221968261 KMOIAMVFEVKIFL-ZIAGYGMSSA-N 321.425 -0.499 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)CN(C)C(C)C)[C@@H]2C1 1222049560 FTXMCQYGNFBXNW-HUUCEWRRSA-N 320.437 -0.391 30 20 DBED NC(=O)NC(=O)CN1CC[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21 1222641109 XIMVQTIPWMFNKM-OLZOCXBDSA-N 318.377 -0.483 30 20 DBED COCC#CCN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1COCCN1C 1225707530 IFKVSSXLMFFINY-OAGGEKHMSA-N 323.437 -0.016 30 20 DBED N#CCNC(=O)CN1CCC(NC(=O)[C@@H]2CC2(F)F)CC1 1227191525 AWEPPXIDBHYOMU-JTQLQIEISA-N 300.309 -0.138 30 20 DBED C=CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)CCC(=O)NCC 1231208829 NCRXJMPIWCQQPA-CYBMUJFWSA-N 324.425 -0.262 30 20 DBED C#CCNC(=O)CC(=O)N(C)C[C@H]1CCN1Cc1ccn(C)n1 1233809707 NAAKONFZFGYSHS-CQSZACIVSA-N 317.393 -0.408 30 20 DBED C=CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)Cc1n[nH]c(C)n1 1234205282 IBUNVPUFRTYDFM-GFCCVEGCSA-N 320.397 -0.509 30 20 DBED C=CCN(C(=O)[C@H](C)S(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1251870971 YCTVINGEUKYDTJ-UWVGGRQHSA-N 309.409 -0.379 30 20 DBED C=CCN(CCOC)C(=O)C(=O)NCCn1cnnc1CC 1261092585 HWHWKUPNEIBQED-UHFFFAOYSA-N 309.370 -0.382 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CCC(Cn2cncn2)CC1 1261155064 YKLUMKXQQBJQLZ-CYBMUJFWSA-N 321.381 -0.166 30 20 DBED CN(CCO)C(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 1261203353 XLJYLKAYOUYCLB-UHFFFAOYSA-N 314.305 -0.472 30 20 DBED CC(=O)N[C@@H](C(=O)NCCN/C(O)=C1\N=CC=CC1=O)C(C)C 1318397892 LQSAEWCNRDGZDG-ODHUPUGDSA-N 322.365 -0.210 30 20 DBED CCN1C[C@H](C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1=O 1318695191 UYXYBXSBARRCLT-NIZNLAEJSA-N 320.349 -0.503 30 20 DBED N#Cc1cccnc1NCCNC(=O)NCC1(CO)COC1 1319358863 VFEFEQSLXMSJPR-UHFFFAOYSA-N 305.338 -0.327 30 20 DBED C=CCNC(=O)CNC(=O)NCc1ccc(-n2cncn2)nc1 1319971468 WZANBWAZZXNOLW-UHFFFAOYSA-N 315.337 -0.236 30 20 DBED Cc1nc(C#N)c(NNC(=S)NCCNS(C)(=O)=O)o1 1325835286 NOHRGTQBMYIZKT-UHFFFAOYSA-N 318.384 -0.805 30 20 DBED C[C@@H]1COCCN1C(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1329274882 XSGLWAZHCBDYEJ-DGCLKSJQSA-N 306.366 -0.568 30 20 DBED C#CCN(C)CCCNC(=O)[C@@H](O)CNC(=O)OC(C)(C)C 1337288514 BLQLOGUVFQCTDH-LBPRGKRZSA-N 313.398 -0.057 30 20 DBED C=CCn1c(N(C)C[C@@H](C)C(=O)NC)nnc1[C@]1(O)CCOC1 1340772296 QRDUYFNYVBETAJ-ABAIWWIYSA-N 323.397 -0.110 30 20 DBED Cc1noc(CCCNC(=O)C(=O)N2CC[C@@](F)(C#N)C2)n1 1346044921 SYUWOUBMJDTCAH-CYBMUJFWSA-N 309.301 -0.109 30 20 DBED N#CCC1(CNC(=O)C(=O)NCC(=O)N2CCCCC2)CC1 1346056218 JBVFBLZCNUQULG-UHFFFAOYSA-N 306.366 -0.075 30 20 DBED C=CCCN(C)C(=O)C(=O)NC1CC(NS(C)(=O)=O)C1 1346131861 UFSUWZJQLIIYPW-UHFFFAOYSA-N 303.384 -0.783 30 20 DBED CN1CCC[C@H](NC(=O)C(=O)N2CCC[C@@](C)(C#N)C2)C1=O 1352329888 MOOUGMNAMBEHKH-NHYWBVRUSA-N 306.366 -0.124 30 20 DBED CC[C@@H](C)[C@](C)(O)CNC(=O)Cn1cc(C#N)c(O)nc1=O 1361970735 NQTIKGSSVSNARP-YMTOWFKASA-N 308.338 -0.266 30 20 DBED N#Cc1ccc(F)c(C(=O)N2C[C@@H](C(N)=O)[C@H](C(N)=O)C2)c1 1362707051 NTRZJNKVOIWELR-NXEZZACHSA-N 304.281 -0.644 30 20 DBED C[C@H](C#N)C(=O)N(C)CCN(C)C[C@H]1CCS(=O)(=O)C1 1367511189 PSFJBRQXIUDKAF-VXGBXAGGSA-N 301.412 -0.029 30 20 DBED CC(=O)N(C)CC(=O)N[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 1372234410 PJGQZNDCVDWASC-LBPRGKRZSA-N 317.349 -0.305 30 20 DBED C=C(Br)CNC[C@@H](O)CNC(=O)CNC(C)=O 1374571896 IOVXZTCCBRBLDK-SECBINFHSA-N 308.176 -0.902 30 20 DBED COCCN(CCNC(=O)[C@@H](C)C#N)C(=O)[C@@H]1CCC(=O)N1 1396172475 LOSZDSNCBQAUGN-QWRGUYRKSA-N 310.354 -0.984 30 20 DBED CC[C@H](CNC(=O)c1ncn(C)n1)NC(=O)c1ccc(C#N)[nH]1 1398945761 MPXXEXSCCZXTMU-SECBINFHSA-N 315.337 -0.047 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)[C@H](C)CN2CCOCC2)CC1 1400569908 IZQURONEZCBZGP-CHWSQXEVSA-N 322.409 -0.121 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CCN(C(=O)c2ccc(C(N)=O)[nH]2)C1 1407548167 FHHMBGAJPBAWMJ-RKDXNWHRSA-N 303.322 -0.396 30 20 DBED COCCN(CCC#N)S(=O)(=O)NCCc1cnoc1 1414333325 YSMKAVQYBXTZRW-UHFFFAOYSA-N 302.356 -0.086 30 20 DBED COc1ccc(C(=O)NC[C@H](O)CNC(=O)[C@H](C)C#N)cn1 1416782518 ZQKRFLWJGQSXPQ-MWLCHTKSSA-N 306.322 -0.543 30 20 DBED N#Cc1cn(CCC(=O)N2CC[C@@]3(CCOC3)C2)c(=O)nc1O 1417677504 UBIALJCGRLCBBV-OAHLLOKOSA-N 318.333 -0.150 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCN1CCN([C@H]2CCN(C)C2=O)CC1 1420902083 RKTMDIIRIDMTNB-KBPBESRZSA-N 321.425 -0.547 30 20 DBED CC(C)S(=O)(=O)CC(=O)NC1CN(C(=O)[C@H](C)C#N)C1 1430197338 NNIPFRIDZRMIMN-SECBINFHSA-N 301.368 -0.704 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCNC(=O)c1nc2ncccn2n1 1431460819 VASJOIVKZXCINE-VIFPVBQESA-N 301.310 -0.528 30 20 DBED CC(C)(C)OCC(=O)NC[C@@H](O)CNC(=O)c1c[nH]c(C#N)c1 1431524736 FFHQXXKCBHDSRD-GFCCVEGCSA-N 322.365 -0.092 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1cnn(C(F)F)c1 1431570439 MXAXWSSBFPEUDN-CBAPKCEASA-N 315.280 -0.355 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)CCn2cnccc2=O)C1 1447485153 PYOZRUMWHPQVSL-IJLUTSLNSA-N 317.349 -0.444 30 20 DBED CCC[C@@H](NC(N)=O)C(=O)NCCN(CC)C(=O)[C@@H](C)C#N 1449474304 BHMMQFLRTGYWQP-WDEREUQCSA-N 311.386 -0.052 30 20 DBED C[C@@H](C#N)C(=O)NC1CN(C(=O)[C@H]2CCCN(C(N)=O)C2)C1 1456388392 CQBLJUSPOSNFHA-UWVGGRQHSA-N 307.354 -0.736 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1coc(C2CC2)n1 1458000945 MPABXNCQXJFXHB-WCBMZHEXSA-N 306.322 -0.081 30 20 DBED C[C@H](CNC(=O)CCn1cnccc1=O)CNC(=O)[C@H](C)C#N 1500332402 AGELTBHXFSGCRC-VXGBXAGGSA-N 319.365 -0.338 30 20 DBED C[C@@H](CN(C)C(=O)Cn1ccc(O)nc1=O)NC(=O)[C@@H](C)C#N 1510650280 XXLHPWDASWCTRX-UWVGGRQHSA-N 321.337 -0.928 30 20 DBED C#CCOCCC(=O)N[C@H]1CCN(C(=O)c2cn(C)nn2)[C@@H]1C 1511163881 JLXLXPXZGSZLSW-NEPJUHHUSA-N 319.365 -0.426 30 20 DBED C#CCOCCN(C)C(=O)c1cn(C)c2c(cnn2C)c1=O 1521017832 JNJYPNUQDDLRDB-UHFFFAOYSA-N 302.334 -0.006 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C(=O)CCCS(C)(=O)=O)CC1 1522461180 SHXZOLMYLVBONU-NSHDSACASA-N 315.395 -0.358 30 20 DBED Cc1nnc(N2CCO[C@H](C#N)C2)n1CCCS(C)(=O)=O 1543340370 USYGSGLANGYBAA-LLVKDONJSA-N 313.383 -0.250 30 20 DBED C#CCC1(O)CCN(C(=O)CN2CCC[C@H](C(=O)O)C2=O)CC1 1588431922 RBJBOOLCRWOWCL-LBPRGKRZSA-N 322.361 -0.314 30 20 DBED C#CCN1C(=O)C[C@H](N2CCc3ccc(C(=O)O)nc3C2)C1=O 1588471717 YHCKGGVAFNDJJW-ZDUSSCGKSA-N 313.313 -0.101 30 20 DBED C#CCN(CC(=O)O)C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 1602682076 FKORPPQRXZBQLZ-UHFFFAOYSA-N 323.330 -0.970 30 20 DBED CC(C)(CCNC(=O)C(=O)N1CC[C@](O)(CC#N)C1)C(=O)O 1602938738 UVBVTBNDOWEWRG-CQSZACIVSA-N 311.338 -0.519 30 20 DBED COC[C@@H](CCNc1cnc(-c2nn[nH]n2)c(C#N)n1)OC 1605052783 OQORJKVIEALMEB-MRVPVSSYSA-N 304.314 -0.008 30 20 DBED CN1C[C@@H](C(=O)O)N(C(=O)Cc2ccc(C#N)cc2)CC1=O 1606199790 IYTJPRVWUHPCEJ-LBPRGKRZSA-N 301.302 -0.145 30 20 DBED C#CCNC(=O)C1CCN(c2cnc(-c3nn[nH]n3)cn2)CC1 1609021334 TUXHPLWIOHKUSH-UHFFFAOYSA-N 312.337 -0.378 30 20 DBED C#CCCS(=O)(=O)NC1(CC(=O)O)CCS(=O)(=O)CC1 1609137152 AUHZIJGHNYGBFI-UHFFFAOYSA-N 323.392 -0.649 30 20 DBED N#Cc1cccc(-c2nn[nH]n2)c1N1CC[C@H](CO)[C@H](O)C1 1609499467 RIZAFCIXDGYRBN-ZYHUDNBSSA-N 300.322 -0.082 30 20 DBED C=CCCO[C@H](C)C(=O)NCC1CN([C@@H]2CCC(=O)NC2=O)C1 1753397809 UQOOYAAVCBYSKC-DGCLKSJQSA-N 323.393 -0.179 30 20 DBED CC[C@@H](CNC(=O)C[C@@H]1CCCOC1)NCC(=O)NCC#N 1753494755 MCWYWFQELZDNDT-STQMWFEESA-N 310.398 -0.073 30 20 DBED N#CCNCC[C@H]1CCCCN1C(=O)c1nnc(O)nc1O 1753782334 ZUTOBVMEDJZRIU-SECBINFHSA-N 306.326 -0.219 30 20 DBED COCC#CCNC[C@H](O)CNC(=O)Cc1cnccc1C 1753913607 JKMJIMAWFGHDBX-HNNXBMFYSA-N 305.378 -0.351 30 20 DBED C#CCNC(=O)CNCC[C@H](C)NC(=O)C[C@H]1CCCC(=O)N1 1753980313 FIAUCBORDYBKGE-QWHCGFSZSA-N 322.409 -0.721 30 20 DBED COCC#CCNC/C=C/CNC(=O)c1cnc2n1CCOC2 1754133753 NXGOYAUWCFRYNA-NSCUHMNNSA-N 318.377 -0.061 30 20 DBED CCn1nc(C(=O)N[C@@H](C)CN(C)CC#CCOC)ccc1=O 1754338104 QJFZTTKANQIUPH-ZDUSSCGKSA-N 320.393 -0.037 30 20 DBED COCC#CCNCCCN(C)C(=O)[C@H]1CCNC(=O)CC1 1754386140 MTAHXDBXMAXJLJ-CQSZACIVSA-N 309.410 -0.009 30 20 DBED C=CCN1CC[C@H](N2CC[C@@H]2CNC(=O)CCNC(N)=O)C1=O 1754503063 STLGFXBKBMJSTJ-NEPJUHHUSA-N 323.397 -0.978 30 20 DBED C=CCNC(=O)CNC1(CNC(=O)[C@@H]2CN3CCC2CC3)CC1 1754515656 WXCPTCMXRFLKSL-CQSZACIVSA-N 320.437 -0.131 30 20 DBED C#CCNC(=O)[C@H](C)N1CC(O)(CNC(=O)/C=C/C(C)(C)C)C1 1754764491 FBVXCCOOMFZXTB-GWJCSSMESA-N 321.421 -0.111 30 20 DBED C#CCNC(=O)CNCC1CC(NC(=O)c2oncc2C)C1 1755219366 OBQSTXPEHUVLLJ-UHFFFAOYSA-N 304.350 -0.170 30 20 DBED C=CCCN1CC(CCO)(NC(=O)[C@@H](C)S(C)(=O)=O)C1 1755333091 WVYMESDJQMEOQA-LLVKDONJSA-N 304.412 -0.451 30 20 DBED C=CCCN1CC(CCO)(NC(=O)[C@H]2CCCN(C(N)=O)C2)C1 1755333860 LJUIRBLSVACCBS-ZDUSSCGKSA-N 324.425 -0.094 30 20 DBED O=C(C#CC1CC1)NCCOCCCNC(=O)[C@@H]1CCC(=O)N1 1756397701 VYLJJXPJFFGKAL-ZDUSSCGKSA-N 321.377 -0.683 30 20 DBED C#CCCCC(=O)N(C)C[C@H](O)CNC(=O)c1cccnn1 1756661484 ZNXJBALGVSVWGT-GFCCVEGCSA-N 304.350 -0.171 30 20 DBED C=C[C@@H](CC)CC(=O)N[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1O 1757025725 PITMZIGUNWFZIB-HBNTYKKESA-N 322.369 -0.886 30 20 DBED C=CCCOCC(=O)N1C[C@H](O)[C@H](NC(=O)[C@@H](C)COC)C1 1757162798 WWLLBLCYZHCACV-XQQFMLRXSA-N 314.382 -0.451 30 20 DBED C=CCCC(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C[C@H]1O 1757561437 IFPZCDAUAOYPHV-ZYHUDNBSSA-N 320.349 -0.572 30 20 DBED COCCN(CCC#N)S(=O)(=O)NC12CC(C(=O)O)(C1)C2 1777210136 VWEPTKMXEFEAQE-UHFFFAOYSA-N 317.367 -0.310 30 20 DBED CC(C)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783561316 NKFNUOZSXDSKEV-OAHLLOKOSA-N 308.334 -0.440 30 20 DBED C[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)C#N)C[C@@H]21 1791046339 ZOFRTZDDFZMDRK-CYDGBPFRSA-N 323.393 -0.103 30 20 DBED N#CCNC(=O)CN1CCN(S(=O)(=O)c2ccccc2)CC1 76667797 PARKCYBQEUDFKB-UHFFFAOYSA-N 322.390 -0.367 30 20 DBED Cn1c(NC[C@](C)(O)c2ccco2)c(C#N)c(=O)n(C)c1=O 78376884 OCVGBOATOQMKAG-AWEZNQCLSA-N 304.306 -0.132 30 20 DBED COCCNC(=O)CN1CCN(C[C@@H](C#N)CCC#N)CC1 78615474 KBPSENOOTJMJBY-CQSZACIVSA-N 307.398 -0.190 30 20 DBED CCN(CC#N)C(=O)c1cnc2c(c1C)c(=O)n(C)c(=O)n2C 162891074 ZICRDLDCANRXEN-UHFFFAOYSA-N 315.333 -0.074 30 20 DBED C#Cc1cccc(NC(=O)C(=O)N2CCN3C(=O)NC[C@H]3C2)c1 177314541 MAKQKLFMXXFXJZ-ZDUSSCGKSA-N 312.329 -0.158 30 20 DBED C/N=C(\NCCOC)NCC1CCN(S(C)(=O)=O)CC1 261650705 MKJRBZYATQTICW-UHFFFAOYSA-N 306.432 -0.531 30 20 DBED C[C@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)C(=O)NCCF 282650628 XSRKREHMNTYFEH-JTQLQIEISA-N 320.324 -0.122 30 20 DBED CCN(CC#CCN(CC)[C@@H]1CCNC1=O)[C@H]1CCNC1=O 284795736 OFMCGWCXOIEPLM-OKILXGFUSA-N 306.410 -0.589 30 20 DBED CN(C(=O)C(=O)Nc1ccc(C#N)cc1F)[C@@H]1COC[C@H]1O 289082085 OSIZYCOMSYZMHR-VXGBXAGGSA-N 307.281 -0.146 30 20 DBED C#CCNC(=O)c1ccc(NC[C@@H]2CC(C(N)=O)=NO2)nc1 289814638 ZQTSZIUAXDOKBG-JTQLQIEISA-N 301.306 -0.513 30 20 DBED C#CCNC(=O)CCN(CCC)[C@@H](CC(=O)NCCC)C(N)=O 294706671 UXTNMKUGRUJYPS-ZDUSSCGKSA-N 324.425 -0.392 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(OC)CC2)C1=O 299489949 FTWYOHIOKNBZPT-UHFFFAOYSA-N 309.322 -0.399 30 20 DBED C[C@H](C/N=C(/O)NCC1(O)CCOCC1)CN1CCOCC1 329801812 YUUPVLNESIPKIW-CYBMUJFWSA-N 315.414 0.000 30 20 DBED O=C1CCC(=O)N1CC/N=C(/O)N1CCO[C@]2(CCOC2)C1 329870909 CAMCMDZFEJHMMR-CQSZACIVSA-N 311.338 -0.459 30 20 DBED C/N=C(/O)N1CCN(C(=O)CCN2CCCS2(=O)=O)CC1 329958331 QAKWNKJFBRKIQY-UHFFFAOYSA-N 318.399 -0.900 30 20 DBED CCN(CC)C(=O)[C@H]1CSCN1C(=O)CN/C(O)=N/C 330500844 RKGIFXIHLRVSEU-SECBINFHSA-N 302.400 -0.110 30 20 DBED CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCN2C(=O)NC(=O)[C@@H]2C1 330706766 MBEWMRIUCWFKMD-JRPNMDOOSA-N 321.381 -0.335 30 20 DBED COC(=O)C1(O)CCN(CC(=O)N[C@@](C)(C#N)C2CC2)CC1 331818080 OATSSSHAWMQXPF-AWEZNQCLSA-N 309.366 -0.205 30 20 DBED CC(C)(CC#N)CNC(=O)C(=O)N1CCN2CCOC[C@H]2C1 332735556 UXPILYCCTAXAKS-GFCCVEGCSA-N 308.382 -0.415 30 20 DBED C[C@@](C#N)(NC(=O)CN1CCN2C(=O)NC(=O)[C@H]2C1)C1CC1 332754370 FEOXCMBSTDEPAF-YGRLFVJLSA-N 305.338 -0.969 30 20 DBED CCN(CC)C(=O)CN(C)S(=O)(=O)N1CCO[C@@H](C#N)C1 336892723 KRJDRQUKMFENLU-NSHDSACASA-N 318.399 -0.744 30 20 DBED COCCC(=O)N1CCN(C(=O)[C@H](C)n2cnc(C#N)n2)CC1 337077005 CNQDOGNAWHIOHE-NSHDSACASA-N 320.353 -0.582 30 20 DBED C[C@@H]1CCC[C@@]1(O)CNC(=O)C(=O)Nc1ccn(CCC#N)n1 343671726 XJSAOWSEMBKGKM-IAQYHMDHSA-N 319.365 0.403 30 20 DBED N#Cc1ncn(CCNC(=O)Nc2ccc(-n3cnnn3)cc2)n1 348087719 RAGKLMHWDXSPDD-UHFFFAOYSA-N 324.308 -0.053 30 20 DBED CN([C@@H]1CC1(C)C)S(=O)(=O)CCCS(=O)(=O)NCC#N 349488907 GDIQDUMWGDDLHD-SNVBAGLBSA-N 323.440 -0.120 30 20 DBED CC[C@H]1CN(C)CCCN1S(=O)(=O)N1CCO[C@H](C#N)C1 349632065 XVIURXBVSGYGSF-QWHCGFSZSA-N 316.427 -0.128 30 20 DBED N#Cc1ccc(NCC(=O)N2CCOC[C@H]2c2ncon2)nc1 352662510 APPCOMMMDOOZME-NSHDSACASA-N 314.305 0.348 30 20 DBED N#CCCC[C@@H](N)C(=O)NCCCn1nc2n(c1=O)CCCC2 424084687 ABHZLWCPPBUITG-GFCCVEGCSA-N 320.397 -0.091 30 20 DBED C[C@@H](C#N)N(C)C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 436727504 ZFRHWEUXWVXMMX-QMMMGPOBSA-N 301.306 -0.384 30 20 DBED N#CCCn1ccc(NC(=O)NCCCN2C(=O)CCC2=O)n1 438320519 JYSRPNAMBHBBOQ-UHFFFAOYSA-N 318.337 0.457 30 20 DBED C=CC[C@@H](CC)NC(=O)C(=O)Nc1cc(C)n(CC(=O)NC)n1 440264034 DAFPPHKZBDPWSM-LLVKDONJSA-N 321.381 0.347 30 20 DBED C#CCNC(=O)CN1CCN(CC(=O)N(CC)CCC#N)CC1 491071900 OILCYWSZHSXUSU-UHFFFAOYSA-N 319.409 -0.884 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)CCCC(=O)N(C)C)CC1 491658640 LLVKRCLRYFVCJY-UHFFFAOYSA-N 322.409 -0.862 30 20 DBED CC[C@@H](C)[C@@H](NC(=O)Cn1cnc(C#N)cc1=O)C(=O)OC 514672045 IYBQLWIBFOYWMD-NOZJJQNGSA-N 306.322 -0.181 30 20 DBED COC(=O)[C@H](NC[C@@H](O)COc1ccc(C#N)cc1)[C@H](C)O 567873056 MIGIERFRHRMMRZ-ZKYQVNSYSA-N 308.334 -0.190 30 20 DBED CN(C)C[C@@H](O)CNCCS(=O)(=O)c1ccc(C#N)cc1 578013400 PBROFKJWEHVRQW-ZDUSSCGKSA-N 311.407 -0.156 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)NCCCC2(O)CCC2)CCO1 580843910 ISLUHMURGQAXLP-LLVKDONJSA-N 303.384 -0.260 30 20 DBED Cc1cc(NC(=O)CCn2ncn(C)c2=O)nn1CCC#N 581062893 QONSTINDKDCTMN-UHFFFAOYSA-N 303.326 0.029 30 20 DBED CCNC(=O)N1CC[C@H](NC(=O)N2CC[C@](O)(CC#N)C2)C1 591988189 PQQCAYIIQCTEHG-SMDDNHRTSA-N 309.370 -0.150 30 20 DBED Cc1nn(C)c(N2CCN(C(=O)[C@@H]3CC(=O)N3)CC2)c1C#N 597551557 DDNZPBACUROQPU-NSHDSACASA-N 302.338 -0.863 30 20 DBED N#C[C@@H]1CN(C(=O)[C@H]2CCOC2)CCN1C(=O)[C@H]1CCOC1 602355361 DHMDZURMBKAURT-RWMBFGLXSA-N 307.350 -0.378 30 20 DBED CC#CC[C@@H](CO)NC(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O 645301171 UQZFRRXRTORCSD-WCQYABFASA-N 319.365 -0.401 30 20 DBED O=C(O)CSCC(=O)NCCN/C(O)=C1/N=CC=CC1=O 740487022 FZPSTUVTHIYVHA-QXMHVHEDSA-N 313.335 -0.553 30 20 DBED CNC(=O)[C@H](O)CNS(=O)(=O)c1ccc(C#N)cc1Cl 757728917 RULRZSQEJDPNHV-SECBINFHSA-N 317.754 -0.403 30 20 DBED C=C(C)CN(CC)C(=O)[C@H](C)OC(=O)Cn1ncn(C)c1=O 781264800 SKZKSIGHBDMNDM-NSHDSACASA-N 310.354 -0.062 30 20 DBED CN1C(=O)NC2(CCN(C(=O)[C@](C)(C#N)CC(=O)O)CC2)C1=O 820614740 MZCRBUIDVLCAMK-ZDUSSCGKSA-N 322.321 -0.466 30 20 DBED C#CCN(C)CCCNC(=O)C[C@]1(C)CCS(=O)(=O)N1 820688683 YTLYPUHYZTYTIM-ZDUSSCGKSA-N 301.412 -0.470 30 20 DBED Cn1nc2c(cc1=O)CN(C(=O)[C@](C)(C#N)CC(=O)O)CC2 821314877 BJHPQXXKSLBWSM-AWEZNQCLSA-N 304.306 -0.330 30 20 DBED C=CC[C@@H](CO)CNC(=O)CNc1ccc(-c2nn[nH]n2)cn1 823888700 UIZBLCOLJVVFQS-SNVBAGLBSA-N 317.353 -0.026 30 20 DBED N#CCN(CC(=O)O)CC(=O)N1CCN(c2cnccn2)CC1 833066366 WHOJVTMCCFTWET-UHFFFAOYSA-N 318.337 -0.965 30 20 DBED C#CC[C@H](NS(=O)(=O)N(CC)C[C@@H](C)C#N)C(=O)OC 841540765 QRNDBSWNNWUHEQ-QWRGUYRKSA-N 301.368 -0.133 30 20 DBED N#Cc1nc(N2CCN(S(N)(=O)=O)CC2)sc1Cl 853128272 PGPPRSKSQMNMKM-UHFFFAOYSA-N 307.788 -0.006 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N[C@H]1CCc2c[nH]nc2C1 875218482 BSZXVCIJSSLLND-STQMWFEESA-N 318.377 -0.072 30 20 DBED C#CCN(CC#CC)C(=O)NCCCN1CCC[C@H]1C(N)=O 875800633 OLCWKQUMDIEFFE-AWEZNQCLSA-N 304.394 -0.006 30 20 DBED COC/C=C\C(=O)N1CCN(C(=O)/C=C/COC)[C@H](C#N)C1 912536871 UZVSCDXSAMSNLZ-GPSBZNINSA-N 307.350 -0.045 30 20 DBED C[C@@H]1C(=O)N(NC(=O)c2cccc(C#CCO)c2)C(=O)N1C 912817092 NBWXMVLMXRGWPI-SNVBAGLBSA-N 301.302 -0.042 30 20 DBED COCCNC(=O)[C@@H](C#N)C(=O)[C@H](C)NC(=O)c1ccoc1 916890737 LOVNZXMVWNVHHQ-ONGXEEELSA-N 307.306 -0.131 30 20 DBED C#CCN(CC(=O)NCCCN(C)S(C)(=O)=O)C(C)C 932390558 NIAKQQCFRJYPCS-UHFFFAOYSA-N 303.428 -0.272 30 20 DBED CN(C(=O)C[C@@H]1CCNC1=O)[C@H]1CCN(C(=O)C#CC2CC2)C1 937352917 JUVRAMLXTLXPOV-KBPBESRZSA-N 317.389 -0.015 30 20 DBED COc1ncc(C(=O)N[C@H]2CCN(C(=O)[C@H](C)C#N)C2)cn1 938631737 RPLHIVPCNIWVNJ-KOLCDFICSA-N 303.322 -0.024 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](N(C)C(=O)Cn2cnnc2O)C1 939396797 KZLBEEQCEQRKEQ-ZJUUUORDSA-N 306.326 -0.797 30 20 DBED COc1cnc(C(=O)NC[C@H]2CCN2C(=O)[C@@H](C)C#N)nc1 951316456 RDIZLOVWUDEOMM-VHSXEESVSA-N 303.322 -0.024 30 20 DBED C=CCn1cc(C(=O)N2CCN([C@H]3CCN(C)C3=O)CC2)nn1 951559837 QAXAQBVQAKDYLD-ZDUSSCGKSA-N 318.381 -0.547 30 20 DBED CN(C(=O)c1c[nH]c(C#N)c1)C1CN(C(=O)[C@H]2COCCO2)C1 954103504 PGENTKWOMRHYQH-CYBMUJFWSA-N 318.333 -0.415 30 20 DBED C=CCn1cc(C(=O)N(C)C2CN(C(=O)[C@H](O)C(C)C)C2)nn1 954307699 BFVDXOYATNEVJY-CYBMUJFWSA-N 321.381 -0.236 30 20 DBED C#Cc1ccc(C(=O)N2CC(N(C)C(=O)Cc3nc[nH]n3)C2)nc1 955387418 RGEIUEVMVSUXEY-UHFFFAOYSA-N 324.344 -0.294 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2cc(O)nc(C3CC3)n2)C1 958155278 BYIALRXKZVQNJV-YPMHNXCESA-N 316.361 -0.285 30 20 DBED C#CCCN1C[C@H](CNC(=O)c2ccnc(OC)n2)[C@@H](O)C1 958248913 QIGOFKWYVAQMRW-AAEUAGOBSA-N 304.350 -0.469 30 20 DBED C=CCCN1C[C@@H](O)[C@@H](CNC(=O)c2nc3ncccn3n2)C1 958506976 JBZYMDCQKNJPQG-NWDGAFQWSA-N 316.365 -0.277 30 20 DBED C=CCN1C[C@@H]2C(NC(=O)Cn3[nH]cc4c(=O)ncnc3-4)[C@H]2C1 962072330 HLSGZIJFURAKJR-QWRGUYRKSA-N 314.349 -0.696 30 20 DBED C#CCCN1C[C@H]2C(NC(=O)[C@H]3CCCCN3C(N)=O)[C@@H]2C1 962274471 STLBNWODMXNPHE-JHJVBQTASA-N 304.394 -0.011 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2CCCN(C(=O)C(N)=O)[C@@H]2C1 963825519 HGUBSQDOBAGNIN-LOWDOPEQSA-N 321.377 -0.488 30 20 DBED CC1(C(=O)N[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@@H]2O)CC1 965903569 FTCKIERVGRUHHB-NEPJUHHUSA-N 302.334 -0.012 30 20 DBED C[C@H]1CCN(CC#N)C[C@@H]1NC(=O)Cn1ccc(O)nc1=O 967273262 KMWRWQOSIYEHIW-QWRGUYRKSA-N 305.338 -0.701 30 20 DBED C#Cc1cncc(C(=O)N2[C@H]3CC[C@H]2CN(C(=O)C(N)=O)C3)c1 969934401 KFCMVSHEOHRBDK-STQMWFEESA-N 312.329 -0.636 30 20 DBED C[C@@]1(C(=O)N[C@H]2[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]32)CNC(=O)C1 976857298 YSDCJHNYWAPCHP-NENTXLIVSA-N 315.373 -0.501 30 20 DBED C=CCN1CCCC2(C1)CN(C(=O)CN1CCOCC1=O)C2 981816105 LDMAMUUMEIFQHY-UHFFFAOYSA-N 307.394 -0.044 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCN(C(=O)CC(N)=O)C1 982566895 HPRFWLMGFVTDHC-XUJVJEKNSA-N 323.393 -0.192 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C(N)=O)[C@@H]1C 988309601 GXYYNXRYUQVVNO-WYUUTHIRSA-N 309.366 -0.442 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H](NC(=O)[C@H]2CCCC(=O)N2)C1 989266068 XLBXKZKIPJKEDI-SDDRHHMPSA-N 306.366 -0.078 30 20 DBED CC#CCN1CCN(C2CCC(NC(=O)C(N)=O)CC2)CC1 996789154 PQFXUJBYCJWMSA-UHFFFAOYSA-N 306.410 -0.460 30 20 DBED C=CCNC1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)CC1 997055861 ZNWCNWXHLVULJU-UHFFFAOYSA-N 306.366 -0.536 30 20 DBED C#Cc1ccc(C(=O)N2CC(NC(=O)[C@@H]3[C@H]4COC[C@H]43)C2)nc1 997930533 QAWXBOFCSYRMDK-NHAGDIPZSA-N 311.341 -0.104 30 20 DBED N#CCN1CC[C@H](n2cc(CNC(=O)C3=COCCO3)nn2)C1 999938987 OUSGDKDFBDWYTQ-LBPRGKRZSA-N 318.337 -0.447 30 20 DBED C#CCN1CC[C@@H](n2cc(CNC(=O)[C@H]3CCN(C)C3)nn2)C1 1000043356 KEPKOCAILVZARE-DZGCQCFKSA-N 316.409 -0.274 30 20 DBED C[C@@H]1CCN(C(=O)C#CC2CC2)C[C@H]1NC(=O)Cn1ncnn1 1004886693 XCYJFIYTPWEJHU-DGCLKSJQSA-N 316.365 -0.560 30 20 DBED C[C@@H](C#N)C(=O)N1CC([C@H](C)NC(=O)c2nccnc2N)C1 1005836405 QNAGDBUSOLTXCL-IUCAKERBSA-N 302.338 -0.205 30 20 DBED Cn1nnnc1CN1CCC[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 1007142546 ICXBBDFAOYVGIF-NSHDSACASA-N 314.353 -0.196 30 20 DBED N#CCN1CCC[C@H](NC(=O)CN2CCCS2(=O)=O)C1 1007462949 HTWJUPHGUYMQMA-NSHDSACASA-N 300.384 -0.874 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@]2(CN(C(=O)c3nc[nH]n3)CCO2)C1 1007710444 HQDFRMJRDJNKQJ-QMTHXVAHSA-N 318.337 -0.592 30 20 DBED Cn1cc(C(=O)N2CCN(C(=O)c3c[nH]c(C#N)c3)CC2)nn1 1011026205 QCGUQKHWXPVDBS-UHFFFAOYSA-N 313.321 -0.387 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2CCN(CC(=O)N(C)C)C2)nc1 1016024941 TTWSNDGZWRAWII-ZDUSSCGKSA-N 300.362 -0.045 30 20 DBED NC(=O)CC(=O)N1CCO[C@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21 1019879268 HMTYKTPROIPOIW-STQMWFEESA-N 319.361 -0.897 30 20 DBED Cc1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2O)nc(C)n1 1024654701 NZXGFNLXXFJXRU-ZEGGKSINSA-N 317.349 -0.445 30 20 DBED CC(=O)N1CCOC[C@H]1C(=O)N1CCC[C@H](N(C)CC#N)C1 1027688151 DBSZADFNDJRXGX-KBPBESRZSA-N 308.382 -0.320 30 20 DBED C#CCN1CC[C@H](CNC(=O)[C@H]2C[C@H](OC)CN2C(C)=O)C1 1028715526 FXIBMDBJNRSSFN-QLFBSQMISA-N 307.394 -0.307 30 20 DBED CN(C(=O)C1(n2cnnn2)CCOCC1)[C@@H]1CCN(CC#N)C1 1033489026 DHOSMGFJFDYEOK-GFCCVEGCSA-N 319.369 -0.765 30 20 DBED C=CCN1CCO[C@@H](CNC(=O)[C@@H]2CCCCS2(=O)=O)C1 1035393377 ZMYGXQKEGKILRV-STQMWFEESA-N 316.423 -0.043 30 20 DBED C=CCN1CCO[C@H](CNC(=O)[C@@H]2CCc3nnn(C)c3C2)C1 1035490875 LVKXYTDRCBNTBU-CHWSQXEVSA-N 319.409 -0.077 30 20 DBED CC#CCN1CCO[C@@H](CNC(=O)[C@H]2CCCS2(=O)=O)C1 1035606127 ADUJZQWUBNXMOY-QWHCGFSZSA-N 314.407 -0.596 30 20 DBED CC#CCN1CCO[C@H](CNC(=O)[C@H]2CCCN2C(C)=O)C1 1035620016 PESKTWWYALQCMD-HUUCEWRRSA-N 307.394 -0.162 30 20 DBED CC#CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)c1cn(CCOC)nn1 1037397472 ZYCQAVXGQCUUAT-XBFCOCLRSA-N 303.366 -0.250 30 20 DBED C=CCCN1CC[C@H]1CNC(=O)C1CC2(C1)NC(=O)NC2=O 1038803561 GSFHLFNBSLQIGV-VTWZXRTESA-N 306.366 -0.259 30 20 DBED N#Cc1cnccc1N1C[C@@H](O)[C@H](NC(=O)c2cnon2)C1 1041134841 KUUNZMRRSGUFSO-ZYHUDNBSSA-N 300.278 -0.684 30 20 DBED C=CCCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)COC)C1 1041151679 QJEYEOOQNJKOJL-NSHDSACASA-N 300.355 -0.697 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)c2n[nH]cc2C)C1 1042039811 IMCGHONXKVKDHB-UHFFFAOYSA-N 308.338 -0.776 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCNC(=O)C2)C1 1042522079 OTUWHDRULXRVBK-GFCCVEGCSA-N 321.377 -0.994 30 20 DBED COc1cc(C(=O)NCC2(O)CN(C(=O)[C@@H](C)C#N)C2)on1 1042688195 MJLADZUMLXQULK-QMMMGPOBSA-N 308.294 -0.854 30 20 DBED COc1cc(C(=O)NCC2(O)CN(C(=O)[C@H](C)C#N)C2)sn1 1043257172 NNKZTHFRQWZXLI-MRVPVSSYSA-N 324.362 -0.386 30 20 DBED C[C@H]1C[C@@H](NCC#N)CCN1C(=O)CN1C(=O)NC(=O)C1(C)C 1044810526 VDYCLDBQHWKOOJ-QWRGUYRKSA-N 321.381 -0.191 30 20 DBED C#CCC1(C(=O)N2CC(O)(CNC(=O)C(N)=O)C2)CCCCC1 1045504759 RUKGNOPJANYSKQ-UHFFFAOYSA-N 321.377 -0.865 30 20 DBED Cc1ccc(C(=O)N2CC(O)(CNC(=O)[C@@H](C)C#N)C2)nn1 1045540357 GMGHGXRQHXKJGF-VIFPVBQESA-N 303.322 -0.752 30 20 DBED C#CCN1CC[C@@H](N2CCN(C(=O)Cc3cnn(C)c3)CC2)C1 1046012005 KKBJSOXLHNMLLL-MRXNPFEDSA-N 315.421 -0.186 30 20 DBED Cn1cnc(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)N(CC#N)C3)cc1=O 1047087627 CESACKZERUGESO-TUAOUCFPSA-N 301.350 -0.113 30 20 DBED CN(C(=O)c1ccnc2ccnn12)[C@H]1CN(CC#N)C[C@@H]1O 1047407682 OMWMMTZUFSGHJT-RYUDHWBXSA-N 300.322 -0.630 30 20 DBED C#CCN1C[C@H]2CN(C(=O)[C@H]3CCN(C)S3(=O)=O)C[C@H]2C1 1049109535 UHNZDAOWJWLDEH-FRRDWIJNSA-N 311.407 -0.956 30 20 DBED CC#CCN1C[C@H]2CN(C(=O)c3cn(C)c(=O)nc3O)C[C@H]2C1 1049212063 NMWAGXOGFSNXFS-TXEJJXNPSA-N 316.361 -0.487 30 20 DBED C[C@@H]1[C@@H](NC(=O)[C@H]2COC(=O)N2)CCN1c1cncc(C#N)n1 1050214732 FJYVGJMPZOFDGC-DVVUODLYSA-N 316.321 -0.460 30 20 DBED CC1(C)C[C@@H](NC(=O)C(N)=O)CCN(c2ccc(C#N)nn2)C1 1051377094 OQRIWAFOLSTZPH-JTQLQIEISA-N 316.365 -0.055 30 20 DBED C=CCN1CCN([C@@H]2CCN(C(=O)C[C@@H]3CCNC3=O)C2)CC1 1052035465 CNEAXLPNSJXGSQ-LSDHHAIUSA-N 320.437 -0.083 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)C3CCN(C(C)=O)CC3)CO2)C1 1054004560 QCQYAZKBBZBPOD-HNNXBMFYSA-N 319.405 -0.162 30 20 DBED C=CCN1CC2(C[C@@H](NC(=O)c3cncc(C(N)=O)c3)CO2)C1 1054009884 HPKNCICBYZICNP-CYBMUJFWSA-N 316.361 -0.060 30 20 DBED C=C(Cl)CN[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@H]1C 1054820950 WPIUJCISYVBCFX-MWLCHTKSSA-N 313.789 -0.229 30 20 DBED N#Cc1cncc(N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)Cn2cncn2)n1 1055021266 ITDAOKBVJMVZPQ-AGIUHOORSA-N 324.348 -0.134 30 20 DBED N#Cc1cccnc1N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cn1ncnn1 1055392074 BXSHDVOAPLSYQF-UPJWGTAASA-N 324.348 -0.134 30 20 DBED C#CCOCCC(=O)N[C@]1(CO)CCCN(C(=O)C(F)F)C1 1055946195 QNSRBNVMXHYEDA-CQSZACIVSA-N 318.320 -0.239 30 20 DBED C[C@H](C#N)C(=O)N[C@@]1(CO)CCCN(C(=O)c2ncn(C)n2)C1 1056094261 RIYYBHHHHYHPIB-YGRLFVJLSA-N 320.353 -0.942 30 20 DBED N#Cc1ccc(N2C[C@H]3C(NC(=O)Cn4cncn4)[C@@H]3C2)cn1 1056217992 RJDHTUFSTIXOHT-CHWSQXEVSA-N 309.333 -0.204 30 20 DBED N#Cc1ccc(N2C[C@H]3C(NC(=O)[C@@H]4[C@H]5COC[C@H]54)[C@@H]3C2)nn1 1056365626 OVFLXBNPONRLNR-SSKLVLDBSA-N 311.345 -0.209 30 20 DBED N#Cc1cnccc1N1C[C@H]2[C@H](NC(=O)[C@@H]3CNC(=O)N3)[C@H]2C1 1056392806 PNFMGMNTWUFXGT-SRRSOLGSSA-N 312.333 -0.815 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@H]1CCCN2C(=O)C(N)=O 1056537952 QPIHECUKPSLICO-UTUOFQBUSA-N 307.350 -0.898 30 20 DBED Cn1ccc(CC(=O)NCCN(CCO)C(=O)C#CC2CC2)n1 1057531248 KPZZTKQSKMBBNQ-UHFFFAOYSA-N 318.377 -0.687 30 20 DBED C=CCCOCC(=O)N(CCO)CCNC(=O)Cc1cc[nH]n1 1057919155 OSJWVDUQZWCVHZ-UHFFFAOYSA-N 324.381 -0.518 30 20 DBED N#Cc1cnc(N2CCC[C@@H](NC(=O)[C@H]3CNC(=O)N3)C2)cn1 1058231249 CIDACPWMFGRNJN-MWLCHTKSSA-N 315.337 -0.885 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)[C@@H]1CCO[C@H]1C1CC1 1058341527 OVZXPKQZAXDNRV-BNOWGMLFSA-N 323.393 -0.102 30 20 DBED C=C[C@@H](CC)CC(=O)N(CCO)CCNC(=O)c1ncn(C)n1 1058469109 ZEFYNVUPMWOYDO-LBPRGKRZSA-N 323.397 -0.032 30 20 DBED C=CCCOCC(=O)NCCN(CCO)C(=O)c1cccnn1 1058532138 MYPOWHJISHYZKB-UHFFFAOYSA-N 322.365 -0.380 30 20 DBED C#CCCCC(=O)N1CC[C@@H](CCNC(=O)Cn2cnnn2)C1 1059552159 ZOZRPFRPEAACGF-CYBMUJFWSA-N 318.381 -0.169 30 20 DBED N#Cc1cncc(N[C@H]2C[C@@H](NC(=O)[C@H]3COCCO3)C2)n1 1059563605 GRQDKVAEPMPKJP-JFGNBEQYSA-N 303.322 -0.177 30 20 DBED CN1CCOC[C@H]1C(=O)N[C@H]1C[C@@H](Nc2ccc(C#N)nn2)C1 1059597804 DTJFJLXRGZPVGJ-XQQFMLRXSA-N 316.365 -0.262 30 20 DBED N#Cc1ccc(NC[C@H]2CCN(C(=O)Cc3nc[nH]n3)C2)nn1 1060919245 ZLOOTWCYXKIDMH-SNVBAGLBSA-N 312.337 -0.031 30 20 DBED N#Cc1nccnc1N1CCC[C@@H]1CNC(=O)[C@H]1CNC(=O)N1 1061440248 CDCMYJAHWMGEKY-MWLCHTKSSA-N 315.337 -0.885 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H]1COCCN1C(=O)COCC 1061582097 YRTXQSXGCHBPNF-CHWSQXEVSA-N 312.366 -0.595 30 20 DBED Cc1cnn(CC(=O)N2CCOC[C@@H]2CNC(=O)[C@@H](C)C#N)c1 1061847636 UREISZRPFADSPU-STQMWFEESA-N 319.365 -0.305 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)CCc1cnn[nH]1 1061853210 QQEZAAWJSISIQU-PWSUYJOCSA-N 320.353 -0.759 30 20 DBED N#Cc1cncc(N2CCO[C@H](CNC(=O)c3cnn[nH]3)C2)n1 1063674897 UZOOUXYAUSFKQE-SNVBAGLBSA-N 314.309 -0.898 30 20 DBED N#Cc1cnc(NC[C@@H]2CCCC[C@@H]2NC(=O)C(N)=O)cn1 1064188026 KLXSLBZFVDWPGS-ONGXEEELSA-N 302.338 -0.080 30 20 DBED N#Cc1nccnc1N1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1nccnc1N 1064225872 RVGCZTNYFRTEQM-DVVUODLYSA-N 322.332 -0.272 30 20 DBED CC[C@H]1CN(C(=O)C(N)=O)CC[C@@H]1Nc1cnc(C#N)cn1 1064413584 XNEGFUQAISCZLG-ONGXEEELSA-N 302.338 -0.127 30 20 DBED N#Cc1nccnc1N1[C@H]2CCC[C@H]1CN(C(=O)CC(N)=O)C2 1064513230 RSUCXVDWJNYNBB-QWRGUYRKSA-N 314.349 -0.207 30 20 DBED C=CC(C)(C)C(=O)NC[C@@H]1CN(C(=O)Cn2cnnn2)CCO1 1064840149 IYYHFFOOMAPLSU-LLVKDONJSA-N 322.369 -0.771 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)[C@H](C)OC)CCO1 1064919086 DHROSMHQOJBCBG-RYUDHWBXSA-N 300.355 -0.433 30 20 DBED N#Cc1nc(=NC[C@@H]2CCCN2C(=O)C2(C(N)=O)CC2)cc[nH]1 1064996095 JGHPAIIXPCWBHN-JTQLQIEISA-N 314.349 -0.561 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)CC(=O)NCC)CCO1 1065066994 HMVJHLQRXLLIGN-CYBMUJFWSA-N 323.393 -0.340 30 20 DBED C=CCOCC(=O)N[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1 1065987067 KKPCGPXFOKOCEB-UPJWGTAASA-N 323.393 -0.192 30 20 DBED Cc1cc(C#N)nc(N2CC[C@@H](NC(=O)C(N)=O)C[C@H]2C)n1 1067566584 VIGROQSFYSXZHH-NXEZZACHSA-N 302.338 -0.385 30 20 DBED COCC(=O)N1CC[C@@]2(C1)CN(c1cnc(C#N)cn1)CCO2 1068075193 SDDLMAMAGMOQBX-HNNXBMFYSA-N 317.349 -0.198 30 20 DBED C[C@H]1[C@H](N=c2cc[nH]c(C#N)n2)CCN1C(=O)c1cn(C)nn1 1068827190 DMQODMMDOYMQJM-VHSXEESVSA-N 312.337 -0.386 30 20 DBED C#CCCN1CCn2ncc(CNC(=O)[C@H]3CCC(=O)N3)c2C1 1069855133 NZQUGRXERGGWNP-CYBMUJFWSA-N 315.377 -0.383 30 20 DBED C=CCCOCC(=O)N[C@@H]1CCCN(C(=O)Cn2ncnn2)C1 1070775446 FRAFEGOGBWSGPV-GFCCVEGCSA-N 322.369 -0.627 30 20 DBED Cn1ccc(CC(=O)N2C[C@H]3C[C@@H]4CN(CC#N)C[C@]3(C2)O4)n1 1070800297 XPTWDLMNQLCYSN-XNRPHZJLSA-N 315.377 -0.212 30 20 DBED C[C@@H]1CN(C(=O)c2cnn(C)c2N)C[C@@]2(CCN(CC#N)C2)O1 1071158733 ALQQOQFTCPEHDL-ABAIWWIYSA-N 318.381 -0.169 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CCCN(C(=O)CCn2cnnn2)C1 1071173098 YUPYQWQLMOQYLS-WDEREUQCSA-N 305.342 -0.670 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CN(C(=O)c2cocn2)C[C@H]1C 1071805000 JKZUANICLJLFML-MNOVXSKESA-N 318.333 -0.609 30 20 DBED C=CCOCC(=O)N[C@H]1CN(C(=O)c2cn(C)nn2)C[C@@H]1C 1072010081 GCOVEXANRCHQCO-QWRGUYRKSA-N 307.354 -0.406 30 20 DBED CNC(=O)NCCC(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1C 1072050219 ZIOBUXDPUITQDV-WCQYABFASA-N 320.393 -0.318 30 20 DBED N#CCN1CCC2(C1)CN(C(=O)[C@@H]1CN3CCC[C@H]3CO1)C2 1072760935 VPWPZRGSFKFGRN-KBPBESRZSA-N 304.394 -0.093 30 20 DBED C=CCN1CCC2(C1)CN(C(=O)CN1CCN(C)C(=O)C1)C2 1072875141 LPYMIVDKFGVCCS-UHFFFAOYSA-N 306.410 -0.519 30 20 DBED C=CCOCC(=O)N1CCC(O)(CNC(=O)c2cocn2)CC1 1074515729 MBDMNKBVPRDKBE-UHFFFAOYSA-N 323.349 -0.040 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2cnc3[nH]c(O)nc3c2)C1 1077266935 QEZTWOCUWBTKBC-GHMZBOCLSA-N 301.306 -0.928 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)c2ccc(N(C)C)nn2)C1 1078020218 DXPYUXZVBRMFDV-CHWSQXEVSA-N 305.382 -0.106 30 20 DBED CCCC(=O)N1CCC[C@H](C(=O)N[C@@H]2CN(CC#N)C[C@H]2O)C1 1078222952 YLTWDTZTOXEDGJ-BFHYXJOUSA-N 322.409 -0.290 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN2CC(F)(F)F)C1 1078232299 IZNMXASALNJRTB-GRYCIOLGSA-N 319.327 -0.192 30 20 DBED C=CCN[C@H]1C[C@H](NC(=O)CN2CCNC(=O)C2)C12CCC2 1078695204 JMROECJGTQQWCQ-STQMWFEESA-N 306.410 -0.379 30 20 DBED C=CCOCC(=O)N(CC)C1CN(C(=O)CN(C)C(C)=O)C1 1079490679 ZOMNUGKDXXOAGR-UHFFFAOYSA-N 311.382 -0.273 30 20 DBED C=CCn1cc(C(=O)N2CCC(CO)(NC(C)=O)CC2)nn1 1080656645 RAWRMCSPVBAUEC-UHFFFAOYSA-N 307.354 -0.433 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC(CO)(NC(=O)[C@H](C)C#N)CC1 1080982257 WXYWQZMBWRICAW-OLZOCXBDSA-N 321.377 -0.346 30 20 DBED CC1(C(=O)N2C[C@H](CNC(=O)CSCC#N)[C@@H](O)C2)CC1 1081290258 VGIREIBFDSVDDU-QWRGUYRKSA-N 311.407 -0.021 30 20 DBED C#CCCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)CNC(=O)CC)C1 1081349793 UEXGJVVLZXDXMA-CHWSQXEVSA-N 323.393 -0.748 30 20 DBED CO[C@@H]1CN(Cc2cnon2)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 1081540554 HVNZFDFCZSNVRT-CHWSQXEVSA-N 316.321 -0.101 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](O)[C@H](CNC(=O)C(C)(C)C(N)=O)C1 1081557870 BTJFKRFVPBPBFH-VXGBXAGGSA-N 323.393 -0.907 30 20 DBED C=CC(C)(C)C(=O)NC[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@@H]1O 1081640687 PNWOFHFNZXVZGY-PWSUYJOCSA-N 321.381 -0.424 30 20 DBED C=C(C)CCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2nc[nH]n2)C1 1081654740 ZSAFLXGJZPZXDN-WDEREUQCSA-N 307.354 -0.290 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1ccn2nnnc2c1 1082017329 CDNZYMPJEKICQZ-GHMZBOCLSA-N 301.310 -0.923 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)C1CCC(C(N)=O)CC1 1083127618 VNFICNOASWZABE-CLRIEMFWSA-N 320.393 -0.287 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cc(OC)n(C)n1 1083138700 MFCWCZMSIYCDCA-UONOGXRCSA-N 318.377 -0.023 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cn(CC)nn1 1083235822 WSKAZRMHAPHHAJ-UONOGXRCSA-N 303.366 -0.154 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2COc3ccccc3C2)C1 1083623280 ZUVCQJBQKIHDAZ-MJBXVCDLSA-N 301.346 -0.077 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)[C@H]1C 1088979933 NTJRYPRVHGHGGD-MNOVXSKESA-N 314.349 -0.367 30 20 DBED C[C@@H]1CC[C@H](NC(=O)CC(N)=O)CN1c1ccnc(C#N)n1 1089127216 ONYFYDWUGVYWSA-ZJUUUORDSA-N 302.338 -0.303 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2c(C)c(C)nn(C)c2=O)[C@H](O)C1 1090478637 HJTPAVQJZHMQIT-CHWSQXEVSA-N 318.377 -0.805 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(c2ncc(F)cn2)C[C@H]1O 1090495505 VFKIKZNSJXSKHY-VXGBXAGGSA-N 308.313 -0.679 30 20 DBED N#Cc1cncc(N2C[C@@H](O)[C@H](NC(=O)C3(CF)CC3)C2)n1 1090528022 JOVRCMZCUFBWED-GHMZBOCLSA-N 305.313 -0.236 30 20 DBED CO[C@@H](C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1O)C(C)C 1090534615 BPWLFXJGIGVYIW-JHJVBQTASA-N 319.365 -0.315 30 20 DBED N#CCN1CC[C@@H](NC(=O)CN2CCCCCC2=O)[C@H](O)C1 1090791764 VUJHRTUPKPZHLZ-CHWSQXEVSA-N 308.382 -0.536 30 20 DBED CCCOCC(=O)N[C@@H]1CCN(c2ccnc(C#N)n2)C[C@H]1O 1092143355 SFAYTVICSPRNCO-VXGBXAGGSA-N 319.365 -0.169 30 20 DBED C[C@@H](C#N)C(=O)NCC1CC(Nc2nccn3nnnc23)C1 1092208541 JLKSOXOFCSJKDA-IDKOKCKLSA-N 300.326 -0.014 30 20 DBED CNC(=O)CC(=O)NC1[C@H]2CN(c3ncc(C#N)cc3F)C[C@H]12 1093241442 FCXGGXIYAWRHAR-UWVGGRQHSA-N 317.324 -0.221 30 20 DBED N#CCN1CC(OC2CCN(C(=O)CCc3cnn[nH]3)CC2)C1 1093576385 ZLOVNVNHCDVUTK-UHFFFAOYSA-N 318.381 -0.047 30 20 DBED CNC(=O)NC(C)(C)C(=O)NCCNc1nc(C)cc(C#N)n1 1093673648 XLYRSHHCLNVKKK-UHFFFAOYSA-N 319.369 -0.108 30 20 DBED N#Cc1nc(=NCCNC(=O)C[C@@H]2CCCCC(=O)N2)cc[nH]1 1093775980 QCAKYIGPZCASQY-NSHDSACASA-N 316.365 -0.253 30 20 DBED CN1C(=O)CC[C@@H]1CC(=O)NCCN=c1cc[nH]cc1C#N 1094056057 XSDATNNPTRNLTR-GFCCVEGCSA-N 301.350 -0.086 30 20 DBED C=C(C)CN1CC(n2cc(CNC(=O)[C@@H]3COCCO3)nn2)C1 1094276466 PGJZJOFFILZGRA-AWEZNQCLSA-N 321.381 -0.258 30 20 DBED N#CCN1CC(n2cc(CNC(=O)c3ccc(C#N)[nH]3)nn2)C1 1094285727 YEUVOPKSIUDPSN-UHFFFAOYSA-N 310.321 -0.212 30 20 DBED C=CCN1CC(n2cc(CNC(=O)[C@@H]3COC(=O)N3)nn2)C1 1094287894 UVWZNGKRZURMMN-NSHDSACASA-N 306.326 -0.955 30 20 DBED C#CCN1CC(n2cc(CNC(=O)c3cnc(O)n3C)nn2)C1 1094311109 ISXMTYBQWFAHHZ-UHFFFAOYSA-N 315.337 -0.863 30 20 DBED N#Cc1ccc(NCCCNC(=O)CN2C(=O)CNC2=O)cn1 1094425153 XYXOUOYKMOHMLA-UHFFFAOYSA-N 316.321 -0.577 30 20 DBED N#Cc1c[nH]ccc1=NCCCNC(=O)[C@H]1CC[C@H]1C(N)=O 1094704227 XKIZNFUOWDAZKS-NEPJUHHUSA-N 301.350 -0.195 30 20 DBED C=C(C)CN1CC(N2C[C@H](NC(=O)[C@@H]3COCCO3)CC2=O)C1 1094709556 LLMGRKVBOARPLQ-OCCSQVGLSA-N 323.393 -0.621 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)c3ccnc(O)c3)CC2=O)C1 1094721507 CDFAILUQPYZWIR-GFCCVEGCSA-N 316.361 -0.012 30 20 DBED CN1CCO[C@H](C(=O)NCCCN(C)c2ccnc(C#N)n2)C1 1095521904 XMYYYDQXWKYZJJ-LBPRGKRZSA-N 318.381 -0.379 30 20 DBED CCN(CCCNC(=O)Cn1cnnn1)c1nccnc1C#N 1095835313 GPKMZHGXLSNAHS-UHFFFAOYSA-N 315.341 -0.632 30 20 DBED N#Cc1cnc(N2CC[C@H](NC(=O)CCn3cncn3)C2)cn1 1096314964 DIELCECQDZAOKO-NSHDSACASA-N 312.337 -0.275 30 20 DBED N#Cc1nccnc1N1CC[C@@H](NC(=O)CCn2cnnn2)C1 1096416013 USGAQVSIFGOWLJ-SNVBAGLBSA-N 313.325 -0.880 30 20 DBED COC[C@@H](OC)C(=O)N[C@H]1CCN(c2ccnc(C#N)n2)C1 1096483282 XXFQWOHNFMIJSI-WDEREUQCSA-N 305.338 -0.295 30 20 DBED CNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cc(C#N)c[nH]1 1096930078 FMQHTLLGYHZKPK-WZRBSPASSA-N 301.350 -0.033 30 20 DBED C[C@@H](CNC(=O)C1CS(=O)(=O)C1)Nc1cnc(C#N)cn1 1098070673 BUGXQFCMQYYSAL-QMMMGPOBSA-N 309.351 -0.691 30 20 DBED N#CCN(CCO)C1CCN(C(=O)CCc2cnn[nH]2)CC1 1098482351 CUHYKPAVEZVWCI-UHFFFAOYSA-N 306.370 -0.454 30 20 DBED C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)CN1C(=O)CNC1=O 1099329720 RJJHVCKGVSSDLF-GFCCVEGCSA-N 320.393 -0.222 30 20 DBED N#CCNC(=O)CN1CC[C@@H](NC(=O)C2CCCC2)[C@@H](O)C1 1099611402 QISJNOHQBMVMKD-OLZOCXBDSA-N 308.382 -0.632 30 20 DBED N#CCSCC(=O)N[C@@H]1CCN(Cc2ncccn2)C[C@@H]1O 1099688797 AVAPEOHHQCPKSU-NEPJUHHUSA-N 321.406 -0.215 30 20 DBED COCC#CCN1CC[C@H](NC(=O)Cc2ccn(C)n2)[C@H](O)C1 1099815209 CTJLITCFUZJASD-LSDHHAIUSA-N 320.393 -0.836 30 20 DBED N#CCN1CC[C@@H](NC(=O)CCCNC(=O)C2CC2)[C@H](O)C1 1099863012 HDKBXIKIGPNCBC-CHWSQXEVSA-N 308.382 -0.632 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)CCCC=C)[C@@H](O)C1 1099973262 ANMWGVIXZBGCET-KGLIPLIRSA-N 307.394 -0.357 30 20 DBED CN(CCNC(=O)C[C@H]1COC(=O)C1)c1cncc(C#N)n1 1100012190 ISSVQKYWWCCDTJ-SNVBAGLBSA-N 303.322 -0.146 30 20 DBED C#CCN1CC[C@H](NC(=O)CNC(=O)CC2CCCC2)[C@@H](O)C1 1100031985 MWMFMBSNVQHNAA-GJZGRUSLSA-N 321.421 -0.133 30 20 DBED N#CCN1CC[C@H](NC(=O)CCCCN2CCOCC2)[C@H](O)C1 1100035217 YSVDJOZHXUNBGE-LSDHHAIUSA-N 324.425 -0.436 30 20 DBED CN(CCNC(=O)c1ccc(C#N)[nH]1)c1ccc2nnnn2n1 1100035446 CLOZZGHUASHSJK-UHFFFAOYSA-N 311.309 -0.415 30 20 DBED CC#CCN1CC[C@H](NC(=O)CNC(=O)c2ccco2)[C@H](O)C1 1100096153 ANRSQMBQGGOMJU-QWHCGFSZSA-N 319.361 -0.416 30 20 DBED CN(CCNC(=O)CCN1CCCC1=O)c1ccc(C#N)nn1 1100140111 CJSZEENCROMAPT-UHFFFAOYSA-N 316.365 -0.087 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)c2ccc(C)nn2)C1 1100309394 SYBJRCXOJROXAL-UHFFFAOYSA-N 315.377 -0.368 30 20 DBED CCN(CCNC(=O)CS(C)(=O)=O)c1ccc(C#N)cn1 1100470432 MQYKJYYDWLNTPJ-UHFFFAOYSA-N 310.379 -0.060 30 20 DBED COCC#CCNC1CC(CNC(=O)[C@H]2CCC(=O)NC2)C1 1100470932 HZFBFBHKMDPSKX-MOKVOYLWSA-N 307.394 -0.353 30 20 DBED CCO[C@@H](C)C(=O)N1C[C@H]2CN(CC(=O)NCC#N)C[C@@]2(C)C1 1101137826 PJZAGBTYFJKRSB-ZENOOKHLSA-N 322.409 -0.169 30 20 DBED Cc1cc(=NCCN(C)C(=O)[C@@H]2COCCN2C)c(C#N)c[nH]1 1101564148 GQQXBVCOWMKLRQ-HNNXBMFYSA-N 317.393 -0.116 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)C3(C(N)=O)CC3)c3nccn32)C1 1101641642 WACTZLAKDYPDMH-NSHDSACASA-N 313.361 -0.646 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)C[C@@H]1CCN(C)C1=O 1101825986 YJCZKOVJAROJFC-NSHDSACASA-N 316.365 -0.491 30 20 DBED COCC#CCN1C[C@@H](C)[C@H](CNC(=O)C(=O)NCC2CC2)C1 1102486888 ZLIVRLGTPAVFHV-UKRRQHHQSA-N 321.421 -0.154 30 20 DBED C[C@H](CC(N)=O)C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(C#N)nn1 1102570106 OUGJJPKXJREEOM-USWWRNFRSA-N 314.349 -0.351 30 20 DBED C[C@@H](CNC(=O)c1cn(C)nn1)CNc1cncc(C#N)n1 1103929154 QDYFQODMWIYWNE-SECBINFHSA-N 300.326 -0.045 30 20 DBED C[C@H](CNC(=O)C1CS(=O)(=O)C1)CNc1cnc(C#N)cn1 1104096419 IPQUWYYEXFSDOC-VIFPVBQESA-N 323.378 -0.443 30 20 DBED C#CCCNCc1cn(C2CN(C(=O)c3ccn(C)n3)C2)nn1 1105372429 GRWOWCVJCPLGNC-UHFFFAOYSA-N 313.365 -0.178 30 20 DBED CN(CCN(C)c1ccc(C#N)nc1)C(=O)CCNC(N)=O 1105400007 CYPMUIYGUIZJAU-UHFFFAOYSA-N 304.354 -0.094 30 20 DBED C#CCN[C@@H]1C[C@@]2(C[C@H]1O)CN(C(=O)CNC(C)=O)[C@@H]2C(C)C 1105588683 ZMMMDWVBHNDVAN-MUIFIZLQSA-N 321.421 -0.278 30 20 DBED Cc1ocnc1C(=O)NC[C@H](O)CNc1cncc(C#N)n1 1105729709 SHVSPOKICVMRKK-SNVBAGLBSA-N 302.294 -0.153 30 20 DBED CCn1cccc1C(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1 1105856005 LVYHTYKOLFZZCW-LLVKDONJSA-N 314.349 -0.206 30 20 DBED Cc1cc(C#N)nc(NC[C@H](O)CNC(=O)c2ncccn2)n1 1105933928 DHTINCPBAIWNNY-LLVKDONJSA-N 313.321 -0.351 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H](O)CNc1nccnc1C#N 1105970426 HNUZICFJGQSNTH-GHMZBOCLSA-N 303.322 -0.724 30 20 DBED C#CCOCCC(=O)NC[C@@H](O)CN=c1cc(C)[nH]cc1C#N 1105970474 IEFSZXCSCTWWIH-AWEZNQCLSA-N 316.361 -0.388 30 20 DBED C[C@@H](CC(=O)NC[C@@H](O)CNc1ccc(C#N)nc1)NC(N)=O 1105973519 YMTGINUYOUEKDA-CABZTGNLSA-N 320.353 -0.711 30 20 DBED N#Cc1cncc(NC[C@H](O)CNC(=O)[C@@]2(F)CCOC2)n1 1106072478 IPGNIDTUMRNVEH-GXFFZTMASA-N 309.301 -0.634 30 20 DBED C[C@@H](CCNc1ncccc1C#N)NC(=O)Cn1cnnn1 1106193333 SFGKRLNRYWNCFM-JTQLQIEISA-N 300.326 -0.053 30 20 DBED C#CCN1CC(n2cc(CNC(=O)Cn3cc(C)cn3)nn2)C1 1107139097 MKHRYSHRBFKNJT-UHFFFAOYSA-N 313.365 -0.411 30 20 DBED CNC(=O)CC(=O)NC/C=C\CNc1nc(C)cc(C#N)n1 1107166229 JJGVQQGJGUFLBH-ARJAWSKDSA-N 302.338 -0.123 30 20 DBED CCN1CCO[C@H](C(=O)N[C@@H](C)CN=c2cc[nH]c(C#N)n2)C1 1108396572 SGABDEDLPDTQCQ-RYUDHWBXSA-N 318.381 -0.593 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)[C@@H](C)CS(C)(=O)=O)C1 1108424753 ROETYIJHPYEGCN-JSGCOSHPSA-N 316.423 -0.493 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)[C@H](OC)C3CC3)CC2=O)C1 1108541295 SXQQWEUZRVEXLB-IUODEOHRSA-N 305.378 -0.554 30 20 DBED NC(=O)NC(=O)CN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C#CC1CC1)C2 1108679114 USGMMDYJUQQQJK-XQQFMLRXSA-N 318.377 -0.436 30 20 DBED Cc1cc(C#N)nc(N(C)C[C@H](C)NC(=O)CNC(N)=O)n1 1108816336 NUBXMMKGPSINOM-VIFPVBQESA-N 305.342 -0.734 30 20 DBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H]1CCOC1 1109040605 XYAYFQABTSNUEJ-RNJOBUHISA-N 306.366 -0.616 30 20 DBED N#Cc1cnc(NC2(CNC(=O)[C@@H]3CNC(=O)N3)CC2)c(F)c1 1110324209 CTPBBJPKKOXCJE-JTQLQIEISA-N 318.312 -0.166 30 20 DBED COCCC(=O)NC[C@]1(O)CCN(c2nc(C)cc(C#N)n2)C1 1111015435 GEHQSUANWLNPGQ-OAHLLOKOSA-N 319.365 -0.249 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CNC(=O)C1CCOCC1 1111163948 BIYODPCEZUDJRX-KFWWJZLASA-N 319.405 -0.116 30 20 DBED C=CCOCC(=O)N(C)[C@H]1CN(c2cnc(F)cn2)C[C@@H]1O 1111175516 JGEJIYUCRJHXRU-QWRGUYRKSA-N 310.329 -0.174 30 20 DBED Cc1cc(=NC2(CNC(=O)CNC(N)=O)CCC2)c(C#N)c[nH]1 1111762252 JIBPRFCEUCLBMA-UHFFFAOYSA-N 316.365 -0.197 30 20 DBED COCC(=O)N(C)CC(=O)N1C[C@@H]2CCC[C@]2(CNCC#N)C1 1112382310 QSKIEWKVLYOOKK-BBRMVZONSA-N 322.409 -0.167 30 20 DBED COCC(=O)NC[C@@H]1CN(c2nc(C)ccc2C#N)C[C@@H]1O 1112693222 YPOJNXLCKQLWEE-OLZOCXBDSA-N 304.350 -0.179 30 20 DBED COCCCC(=O)NC[C@H]1CN(c2cncc(C#N)n2)C[C@H]1O 1112704543 FHKZGNYHVGPFOE-WCQYABFASA-N 319.365 -0.312 30 20 DBED C[C@H](N=c1cc[nH]c(C#N)n1)[C@H](C)NC(=O)CCn1ccnn1 1113016830 JKPIEDHZMJPZEA-QWRGUYRKSA-N 314.353 -0.243 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)c2ncccc2F)CC1 1113454094 AHLCKCVRSPINKB-UHFFFAOYSA-N 305.313 -0.382 30 20 DBED CNC(=O)C1(C(=O)NC[C@H](C)N(C)c2nccnc2C#N)CC1 1113661013 ZAFDMLNRWQDECM-JTQLQIEISA-N 316.365 -0.185 30 20 DBED N#CCSCC(=O)NC1[C@@H]2CN([C@@H]3CCC(=O)NC3=O)C[C@@H]12 1113897373 UECARUUYVOUWNA-OPRDCNLKSA-N 322.390 -0.905 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)c3cccnn3)[C@@H]2C1 1115007981 SGTGHTAAKMSTNF-QJPTWQEYSA-N 313.361 -0.726 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)NCCCS(C)(=O)=O 1118660295 QBVCHIDZPQSIIF-UHFFFAOYSA-N 318.395 -0.964 30 20 DBED COC(=O)[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C#N)C2)C[C@H](C)O1 1120472620 AHPHKJZZMZBKJB-SRVKXCTJSA-N 323.349 -0.463 30 20 DBED Cc1cc(=N[C@H](CO)CNC(=O)c2ccon2)c(C#N)c[nH]1 1121113336 QCOLDGFCRBNQOG-NSHDSACASA-N 301.306 -0.126 30 20 DBED Cc1cnn(CC(=O)NC[C@@H](CO)Nc2ccc(C#N)nn2)c1 1121160336 YQSMRYULLJZNDM-LBPRGKRZSA-N 315.337 -0.558 30 20 DBED C#CCN1CCN(c2nnc(C[C@@H]3CCNC(=O)C3)n2C)CC1 1121369776 GOYGWLHYHYUTCN-ZDUSSCGKSA-N 316.409 -0.361 30 20 DBED C=CCn1c(CCC)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1121515065 IGKFMVINHIEFHR-LLVKDONJSA-N 318.381 -0.436 30 20 DBED Cc1ncn(C)c1C(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1 1122148387 VLNNMBOHZZXOOK-JTQLQIEISA-N 315.337 -0.985 30 20 DBED CNC(=O)CC(=O)N1C[C@@H](Nc2ccc(C#N)nn2)C[C@H]1C 1123204833 WOZFBIJDFPHMJA-KOLCDFICSA-N 302.338 -0.114 30 20 DBED CN(C[C@@H](O)CNc1ccc(C#N)nn1)C(=O)[C@H]1CCOC1 1124142230 ZAGFNLRSPUVKQF-JQWIXIFHSA-N 305.338 -0.384 30 20 DBED Cc1c[nH]nc1C(=O)N(C)C[C@@H](O)CNc1nccnc1C#N 1124284378 XNTLTMYYPSABCG-JTQLQIEISA-N 315.337 -0.075 30 20 DBED C=CCOCC(=O)NCCNC[C@@H](O)COC[C@@H]1CCCO1 1124773191 OIKWKFKVBMJMJF-KGLIPLIRSA-N 316.398 -0.549 30 20 DBED CN(C[C@H](O)CNc1ncccc1C#N)C(=O)c1cnn[nH]1 1124897416 SAKSHVGGPVFIBC-SNVBAGLBSA-N 301.310 -0.384 30 20 DBED CN(C[C@H](O)CN(C)c1cncc(C#N)n1)C(=O)c1cnn[nH]1 1125373501 FJKQGWRFZFVULW-SNVBAGLBSA-N 316.325 -0.964 30 20 DBED CN(C)c1noc(CNCCNC(=O)c2cc(C#N)c[nH]2)n1 1125390920 JMRFFUAGDLZGSM-UHFFFAOYSA-N 303.326 -0.145 30 20 DBED CCC(=O)N1CCCC[C@H]1C(=O)NCCNCC(=O)NCC#N 1128017992 DINCMNUCTJEZQL-LBPRGKRZSA-N 323.397 -0.877 30 20 DBED CC#CCN1CCn2ncc(CNC(=O)[C@@H](COC)OC)c2C1 1128476489 VDYMRYQJYRZFBL-OAHLLOKOSA-N 320.393 0.000 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)[C@H]2CCCNC2=O)C1=O 1129957722 SADJUJMDAVQRRR-RYUDHWBXSA-N 308.382 -0.995 30 20 DBED C#CCNC(=O)CN1C[C@H](NC(=O)c2cccnn2)CC[C@H]1C 1132368130 JKNYOCOWUNDFFF-CHWSQXEVSA-N 315.377 -0.191 30 20 DBED Cc1cnn(CC(=O)N[C@@H](C)C[C@@H](C)NCC(=O)NCC#N)c1 1133843983 LNBYIHSVEFHMHE-OLZOCXBDSA-N 320.397 -0.296 30 20 DBED C#CCN[C@@H](C)C[C@H](C)NC(=O)C(C)(C)NS(C)(=O)=O 1135639568 OCLQAPXDNCXSGE-QWRGUYRKSA-N 303.428 -0.180 30 20 DBED C=CCCN1CCC2(C1)CN(C(=O)C[C@H](NC(C)=O)C(N)=O)C2 1148390333 DKNCDNURUXYKRL-ZDUSSCGKSA-N 322.409 -0.523 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(Cc2cnon2)CCCO1 1149383530 HYQFSEAFURZOTH-ZDUSSCGKSA-N 310.354 -0.021 30 20 DBED C#CCNC(=O)CN1CCCO[C@H](CNC(=O)C2(C)CC2)C1 1149746337 OLTDWCXQBUIHTC-CYBMUJFWSA-N 307.394 -0.257 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)c1cc(C)n(C)n1 1152153261 BJBGVHOWSUBZOW-CYBMUJFWSA-N 319.409 -0.082 30 20 DBED C=CCCCCCNCCNC(=O)CNC(=O)Cn1cncn1 1152254425 KMWIMYXOGZHIDD-UHFFFAOYSA-N 322.413 -0.154 30 20 DBED C=CCO[C@@H](C)C(=O)NCCNC[C@H](C)CS(C)(=O)=O 1153160270 PSTIIVYJQJJWHE-RYUDHWBXSA-N 306.428 -0.036 30 20 DBED N#CCNC(=O)CN1CC=C(CCNC(=O)[C@@H]2CCOC2)CC1 1159487841 DVYWYVSBIDLFOJ-CQSZACIVSA-N 320.393 -0.199 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)CCCC(=O)NCC 1171468958 RAHQRCXYCJUVPH-ZDUSSCGKSA-N 324.425 -0.473 30 20 DBED C=CCCCNCCCNC(=O)CN1CCS(=O)(=O)CC1 1176027166 VWDFAIBTVQQVJU-UHFFFAOYSA-N 317.455 -0.221 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)CCCC(=O)NC)[C@H]1C 1178516099 CDKQEUPJRGWPJL-STQMWFEESA-N 324.425 -0.216 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)Cc2cc(C)[nH]n2)C1 1181950469 LSJDSEQVDBJVQT-CHWSQXEVSA-N 317.393 -0.411 30 20 DBED C=CCOCCNC[C@H]1CCN(C(=O)Cn2cnnn2)C[C@H]1C 1183851560 XWEUJUPOMKWCNL-ZIAGYGMSSA-N 322.413 -0.050 30 20 DBED C=CCNC[C@H]1CCN(C(=O)Cn2c(O)nnc2O)C[C@@H]1C 1185575918 XTHABKQSNMRQGR-WDEREUQCSA-N 309.370 -0.051 30 20 DBED C#CCCNC[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C[C@H]1C 1185640773 KMZHWKXTEXAMOV-OLZOCXBDSA-N 320.393 -0.364 30 20 DBED Cn1cnc(C(=O)N2CC[C@H]3CN(CC(=O)NCC#N)C[C@H]32)c1 1187523520 QBSFJURBBFBEEA-WCQYABFASA-N 316.365 -0.794 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)N1CC[C@@H](NCCCO)C1 1188150838 NEQMKCUVTBUVQG-GFCCVEGCSA-N 312.414 -0.177 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)CN2CCCC2=O)C1 1188792591 HUSCZIOHGUPGAG-CYBMUJFWSA-N 322.409 -0.556 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@@H]1CCN(C(=O)c2cncnc2)C1 1189788027 SYJDOCXTOLJZCS-GXTWGEPZSA-N 315.377 -0.239 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)CSC(C)C)C1 1191126926 CQCUKMMSMIBYHD-VXGBXAGGSA-N 315.439 -0.409 30 20 DBED CCCCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)C#CC2CC2)C1 1192862463 SHGHFWDHFPOEHK-BPLDGKMQSA-N 321.421 -0.134 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)C2(F)CCOCC2)C1 1193595303 QBLDFVZPSNQDCR-CHWSQXEVSA-N 314.357 -0.684 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)[C@H]2CCCNC2=O)CC1 1196215461 JKPMTLMBITYUBV-ZDUSSCGKSA-N 322.409 -0.651 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H](CC(=C)C)NC(C)=O)C1 1196691819 KXMDHMQBFREPHN-RBSFLKMASA-N 307.394 -0.358 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)c2cnnn2CC)CC1 1200397474 TWYPRQYSMYYYFR-UHFFFAOYSA-N 320.397 -0.206 30 20 DBED CC(C)C#CC(=O)N[C@@H]1C[C@@H](NCC(=O)NC(N)=O)C12CCC2 1202878051 QEUFVLPODNLDQJ-VXGBXAGGSA-N 320.393 -0.142 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)C[C@](C)(O)C=C)CC1 1205119635 XMUYIQCODBWLFI-QGZVFWFLSA-N 321.421 -0.109 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)C[C@@H]2CCOC2)[C@H](C)C1 1206695696 MCZSFYWWJIDQLT-HZSPNIEDSA-N 307.394 -0.401 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 1207685147 XLXIMNOIASFTMZ-UONOGXRCSA-N 306.410 -0.589 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2cnc(C)n2C)[C@H](C)C1 1208409635 KYLZRZCZAWFXJX-DGCLKSJQSA-N 317.393 -0.472 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)Cn2cncc2C)C1 1208568444 JEHIHUYERCNXMI-CQSZACIVSA-N 317.393 -0.478 30 20 DBED COCC#CCN[C@H]1CCCN(C(=O)C[C@H]2CCC(=O)N2)C1 1210080684 SGBLMAHWIPMHFR-KGLIPLIRSA-N 307.394 -0.115 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(CC(=O)N2CCC2)C[C@H]1OC 1212256080 UJVBGHGEADHJJC-BFHYXJOUSA-N 323.393 -0.928 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN([C@H]2CCN(C)C2=O)C[C@H]1OC 1212257742 HWHJJGYNWKETOL-HZSPNIEDSA-N 323.393 -0.928 30 20 DBED CC#CCN1C[C@@H](NC(=O)[C@@H](C)S(C)(=O)=O)[C@H](OC)C1 1212474832 VQLBUQQIROAYFS-IJLUTSLNSA-N 302.396 -0.742 30 20 DBED C=CCOCCN1C[C@@H](NC(=O)Cn2cncn2)[C@H](OC)C1 1213821380 TUHMANXBGPZFSV-CHWSQXEVSA-N 309.370 -0.704 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)[C@@H]2CN(C)CCO2)C[C@H]1C 1214388617 DVLVQQKGYSFSML-KFWWJZLASA-N 309.410 -0.597 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(CC(=O)NCC2CCC2)C[C@@H]1O 1219531929 ASWDAMPEQYKRBZ-CABCVRRESA-N 321.421 -0.133 30 20 DBED Cc1nn(C)c(C)c1OCC(=O)N[C@@H]1CN(CC#N)C[C@@H]1O 1219643041 CMXXXOZRHNEGEV-NEPJUHHUSA-N 307.354 -0.899 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)c2ccon2)CC1 1222486305 JTUMVKOAJFTAHF-UHFFFAOYSA-N 304.350 -0.134 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC(NC(=O)Cc2cc[nH]n2)CC1 1226707845 HZGBCLDRIAEFBB-LBPRGKRZSA-N 317.393 -0.329 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCC(NC(=O)[C@@H]2COC(=O)N2)CC1 1227131819 PETQSFMVIVBQEW-PWSUYJOCSA-N 324.381 -0.634 30 20 DBED C=CCSCCNC(=O)C(=O)NC[C@H]1CC[C@@H](C(N)=O)O1 1321939677 SJTGBNHJTRBYFW-ZJUUUORDSA-N 315.395 -0.829 30 20 DBED C[S@](=O)C1(CNC(=O)C(=O)N2CC[C@](F)(C#N)C2)CCC1 1324554195 IWEQNFLYAROUHF-QKVFXAPYSA-N 315.370 -0.132 30 20 DBED C#CC1CCN(C(=O)C(=O)N2CCC(OCC(N)=O)CC2)CC1 1326226477 FEDPWBVRUYGUCM-UHFFFAOYSA-N 321.377 -0.649 30 20 DBED C[C@@](C#N)(NC(=O)Cn1cnc2c(c1=O)CCNCC2)C1CC1 1326328425 BACFKBCMRJQWDE-INIZCTEOSA-N 315.377 -0.260 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)C(=O)N2CCC(CCO)CC2)C1 1328446899 ZLUQIUPOYKSJEN-OAHLLOKOSA-N 309.366 -0.516 30 20 DBED CNC(=O)[C@@]1(C)CCN(C(=O)C(=O)N2CCC[C@H](C#N)C2)C1 1336466474 WUEHPIMCFCCYLQ-ABAIWWIYSA-N 306.366 -0.267 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCS[C@H](C)C1 1352607809 LWVLEGFCOVBVBX-SNVBAGLBSA-N 320.436 -0.333 30 20 DBED Cc1cc(CNC(=O)CCn2cc(C#N)c(O)nc2=O)on1 1361680774 DUCSAOZMIGMORA-UHFFFAOYSA-N 303.278 -0.177 30 20 DBED N#Cc1cn(CC(=O)NC[C@H]2CCC[C@@H](O)C2)c(=O)nc1O 1362333586 RPKQESYAUBWNJR-GXSJLCMTSA-N 306.322 -0.512 30 20 DBED CN(C[C@@H]1CCC[C@@H]1O)C(=O)CCn1cc(C#N)c(O)nc1=O 1362597310 KBGFOLMLBXCPRY-JQWIXIFHSA-N 320.349 -0.170 30 20 DBED CC[C@H](CN1CCOCC1)NC(=O)NCCn1cnc(C#N)n1 1369786593 TXXPVCSRLBDNLC-GFCCVEGCSA-N 321.385 -0.440 30 20 DBED C[C@H](C#N)C(=O)NC[C@](C)(NC(=O)c1cnnn1C)C1CC1 1375352943 KUKZOXIOOALBBU-OTYXRUKQSA-N 304.354 -0.011 30 20 DBED CN(CCN(C)C(=O)c1cnnn1C)C(=O)c1cc(C#N)c[nH]1 1376228882 CUOSHIKLOBNODP-UHFFFAOYSA-N 315.337 -0.141 30 20 DBED Cc1cnc2nc(C(=O)NC[C@H](C)NC(=O)[C@H](C)C#N)nn2c1 1386334149 FIXVFWAEZAIHPC-ZJUUUORDSA-N 315.337 -0.173 30 20 DBED C[C@H](CCNC(=O)c1cn(C)nn1)NC(=O)c1ccc(C#N)[nH]1 1386686283 WLXMTJPNBVVRDS-SECBINFHSA-N 315.337 -0.047 30 20 DBED C[C@H](C#N)C(=O)N(C)C[C@@H]1CCCN(C(=O)Cn2ncnn2)C1 1397084925 UKVNQLMVPXYZIU-NEPJUHHUSA-N 319.369 -0.470 30 20 DBED COC(=O)NCC(=O)N1CCC[C@H]1CN(C)C(=O)[C@H](C)C#N 1404040029 KYTAXQJOIIIQRU-MNOVXSKESA-N 310.354 -0.049 30 20 DBED COCC(=O)N(C)CC(=O)NC1CCN(C(=O)[C@H](C)C#N)CC1 1414680208 RECAMPBBFMGJGT-LLVKDONJSA-N 324.381 -0.642 30 20 DBED C[C@]1(CO)CCCN1C(=O)CCn1cc(C#N)c(O)nc1=O 1417707559 BZUDOIVAALIWMO-CQSZACIVSA-N 306.322 -0.416 30 20 DBED CN(CCS(N)(=O)=O)S(=O)(=O)c1ccc(C#N)c(F)c1 1424575460 JPWNOYAVMOBDIV-UHFFFAOYSA-N 321.355 -0.394 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CCN(C(=O)c2ccc(C(N)=O)[nH]2)C1 1429624998 YOCQRODJANTBBE-ZJUUUORDSA-N 317.349 -0.054 30 20 DBED C[C@H](C#N)C(=O)N1CC(CNC(=O)COC[C@@H]2CCCO2)C1 1430391252 QMCBVNRBSOPEJA-YPMHNXCESA-N 309.366 -0.084 30 20 DBED CC(C)[C@@H](CNC(=O)CN1CCCNC1=O)NC(=O)[C@H](C)C#N 1433107047 POVKTOKGGBGUJI-VXGBXAGGSA-N 323.397 -0.182 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N[C@@H](C(N)=O)c1ccccn1 1434575819 MYHMZTOHNNZPBC-MWLCHTKSSA-N 311.367 -0.324 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1C[C@@H](NC(=O)c2cnc(O)n2C)C1 1489845908 LNKQGAXPCXYEMN-LPEHRKFASA-N 305.338 -0.090 30 20 DBED CN(CCNC(=O)c1cnn(C)c1N)C(=O)c1c[nH]c(C#N)c1 1495972677 LRKAZGWCTORTAQ-UHFFFAOYSA-N 315.337 -0.296 30 20 DBED C#CCOCCC(=O)N1CC2(CCCN(C[C@@H](O)COC)C2)C1 1506862513 URRHCTXJDXAFSM-OAHLLOKOSA-N 324.421 -0.042 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(CCNC(=O)c2cnns2)CC1 1524067144 FUQFFABPLVTRGG-JTQLQIEISA-N 322.394 -0.428 30 20 DBED COCC(=O)N(C)CC(=O)N1CC[C@@H](CNC(=O)[C@@H](C)C#N)C1 1527189014 PUQOPKQTUZAQCP-RYUDHWBXSA-N 324.381 -0.784 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1ccc(N(C)C)nc1 1533294389 XESVSUMXPYIAOU-CMPLNLGQSA-N 319.365 -0.486 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)Cc2c(C)noc2C)C1 1566679976 NWLYJRIVPAKZSX-ZDUSSCGKSA-N 318.377 -0.226 30 20 DBED N#Cc1cn(CC(=O)N(CCC(=O)O)CC2CC2)c(=O)nc1O 1574248761 NSUVLZFMXAQPEC-UHFFFAOYSA-N 320.305 -0.466 30 20 DBED C[C@@H](CNc1nccnc1-c1nn[nH]n1)NC(=O)C#CC1CC1 1580300802 ZVDLUKMXVUYSJX-VIFPVBQESA-N 312.337 -0.013 30 20 DBED C#CCNC(=O)COC(=O)c1cc(O)cc(-c2nn[nH]n2)c1 1588353653 ABZHZXVDFYYAOW-UHFFFAOYSA-N 301.262 -0.522 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)O)C1)[C@@H]1CCCO1 1588370632 JGVTURXKWBGGHW-VZTWBHMWSA-N 320.345 -0.347 30 20 DBED C=CC[C@H](C(=O)O)N(CC)CC(=O)N[C@H]1CCS(=O)(=O)C1 1588729693 SZEUUZFPIBEZQE-WDEREUQCSA-N 318.395 -0.359 30 20 DBED C[C@@H](CNC(=O)[C@@H](C)C#N)N=c1cc[nH]c(-c2nn[nH]n2)n1 1589849756 LRHVABWQLXOIBN-YUMQZZPRSA-N 301.314 -0.845 30 20 DBED COCC#CCN1CC2(C1)CN(C(=O)[C@H]1C[C@@H]1C(=O)O)CCO2 1599139084 SPZPDYDKIWEBAG-STQMWFEESA-N 322.361 -0.730 30 20 DBED C=CCCCNC(=O)C(=O)N1CC[C@@H](n2cc(C(=O)O)nn2)C1 1602875110 WMXZLCSEMSAYGG-SNVBAGLBSA-N 321.337 -0.168 30 20 DBED CC(C)NC(=O)CN(C)c1cnc(-c2nn[nH]n2)c(C#N)n1 1603338076 YONHLZVNYAXCSE-UHFFFAOYSA-N 301.314 -0.511 30 20 DBED N#C[C@H]1CSCCN1C(=O)CN1CCC[C@@H](C(=O)O)C1=O 1608178878 CTNRMDRJCFSCIO-VHSXEESVSA-N 311.363 -0.223 30 20 DBED N#CCN(CC(=O)O)C(=O)Cn1nnnc1-c1ccsc1 1608183596 DTEMROQFZSSHFT-UHFFFAOYSA-N 306.307 -0.162 30 20 DBED N#Cc1cn(CCC(=O)N2CCC[C@H]2CC(=O)O)c(=O)nc1O 1608223021 NOBMUCFBJQEIIQ-JTQLQIEISA-N 320.305 -0.324 30 20 DBED C#CCOCCNC(=O)C(=O)NCc1ccc(C(=O)O)s1 1609167651 OWWGAOHUBKATJT-UHFFFAOYSA-N 310.331 -0.172 30 20 DBED COc1cccnc1CC(=O)NCCN1CCN(CC#N)CC1 1752373685 YPXGYOSMXOAZTQ-UHFFFAOYSA-N 317.393 -0.110 30 20 DBED CN(CC#N)C[C@H]1CCCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 1752517227 LWYZZYUKBOOPBE-FRRDWIJNSA-N 308.382 -0.287 30 20 DBED C=CCNC(=O)[C@H](C)N[C@H]1C[C@H](NC(=O)[C@H]2CCC(=O)N2C)C1 1752655659 VPAWVRPQPPYCMH-ZDEQEGDKSA-N 322.409 -0.465 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCCN(C(=O)c2cncnc2)C1 1752989388 CTYCUIUVLJXJQV-AWEZNQCLSA-N 315.377 -0.238 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCCN(C(=O)CCCC(N)=O)C1 1753000531 IKIIOESHXVZCPK-ZDUSSCGKSA-N 324.425 -0.133 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@@H](CNC(=O)C2(COC)CC2)C1 1753130003 WSILDFPQDLQOMQ-KBPBESRZSA-N 321.421 -0.011 30 20 DBED COCC#CCN(C)C[C@@H]1CCN(C(=O)[C@H]2CCC(=O)NC2)C1 1753350620 NCRRYQVSKIANOF-GJZGRUSLSA-N 321.421 -0.057 30 20 DBED C#CCNC(=O)CN1CC(NC(=O)c2cccc(CC)n2)C1 1753378096 AZEDHQCPHJQFIX-UHFFFAOYSA-N 300.362 -0.193 30 20 DBED O=C(NC[C@@H](O)CNCC#Cc1ccc(F)cc1)c1nc[nH]n1 1753931126 PRXNXTOQFHHUFK-ZDUSSCGKSA-N 317.324 -0.324 30 20 DBED C#CCNC(=O)CNCC[C@H](C)NC(=O)[C@]1(C)CCNC(=O)C1 1753975455 GBYLQAIYVGZRDH-BLLLJJGKSA-N 322.409 -0.864 30 20 DBED C=CCNC(=O)CNC[C@@H]1CCCN1C(=O)c1cnn(CC)n1 1754610145 DNLNDFPTWWSGIX-LBPRGKRZSA-N 320.397 -0.206 30 20 DBED C#CCN1CC[C@@](O)(CNC(=O)c2c(O)nnc(C)c2C)C1 1754756562 PYSASNNSWZOPTQ-OAHLLOKOSA-N 304.350 -0.401 30 20 DBED CC#CCNC1(CNC(=O)CCNS(C)(=O)=O)CCC1 1754983253 QGYOQWKYWRAQPS-UHFFFAOYSA-N 301.412 -0.423 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)c2cncnc2)CCO1 1755000171 PKFVSIIRRLKHCF-CQSZACIVSA-N 304.350 -0.443 30 20 DBED C#CCNC(=O)CNCC1(O)CCN(C(=O)[C@@H]2C[C@H]2CC)CC1 1755152653 KSBRWFFFPFHOAK-ZIAGYGMSSA-N 321.421 -0.275 30 20 DBED C=CCOCCN1CC(CCO)(NC(=O)c2cccnn2)C1 1755337679 PZYFVHOGEPYSIN-UHFFFAOYSA-N 306.366 -0.154 30 20 DBED C#CCCNC[C@@H](C1CC1)N(C)C(=O)c1nnc(O)nc1O 1755560674 BVURMQDHOXSAPG-JTQLQIEISA-N 305.338 -0.254 30 20 DBED C=CCN1CC[C@@H](N[C@H](CO)CNC(=O)c2ccco2)C1=O 1755621762 VSKNLYOPLZSULL-NWDGAFQWSA-N 307.350 -0.253 30 20 DBED C#CCNC(=O)CN[C@H](CO)CNC(=O)[C@@H]1C[C@H]1C(C)(C)C 1755633200 PHWXIPBGUHAGJO-YNEHKIRRSA-N 309.410 -0.515 30 20 DBED Cn1ncc(C(F)(F)F)c1C(=O)NC[C@@H](CO)NCC#N 1755645935 XRBFJCPAWXGOBQ-ZETCQYMHSA-N 305.260 -0.357 30 20 DBED C#CCOCCC(=O)NC[C@H](C)N(C)C(=O)[C@H]1C[C@H]1C(N)=O 1756027002 MYZUANZMCUKEJD-TUAOUCFPSA-N 309.366 -0.889 30 20 DBED C[C@H](CN(C)C(=O)[C@H](C)C#N)NC(=O)CN1C(=O)CN(C)C1=O 1756490346 ULILCWAASNQGAR-NXEZZACHSA-N 323.353 -0.997 30 20 DBED CC#CCCCC(=O)NC[C@@H](CO)NC(=O)[C@@H]1CCC(=O)NC1 1756543397 PHRATPLYYIZYCA-OLZOCXBDSA-N 323.393 -0.701 30 20 DBED C=CCOCCCC(=O)N1C[C@@H](NC(=O)CC(N)=O)C[C@@H]1C 1756584472 WSLYUZICOBRXEN-RYUDHWBXSA-N 311.382 -0.050 30 20 DBED C#CCOCCC(=O)N1CCCO[C@@H](CNC(=O)COC)C1 1756838266 OLUXERWKWNQNBN-ZDUSSCGKSA-N 312.366 -0.594 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@H](NC(=O)C2CC(OC)C2)C1 1757183880 HLYZCXORTKIOCB-PQAZSJQKSA-N 308.378 -0.097 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)Cn1ccnc1)CCO2 1783049869 YRUADUGILVKISW-OAHLLOKOSA-N 302.334 -0.654 30 20 DBED CN(C)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1CC1)C2 1795179807 DQTXHKGLZWJKDF-XOIINTDNSA-N 319.405 -0.449 30 20 DBED C#CC(=O)N1CCC2(CCCN(C(=O)[C@@H]3CNC(=O)O3)C2)CC1 1806116976 IHYJHGRUYNZWRJ-LBPRGKRZSA-N 319.361 -0.041 30 20 DBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/OCC)C2)C1 1839811402 RXLXBBQDWCNJLX-CDVVCGDMSA-N 322.361 -0.374 30 20 DBED C#CCNC(=O)COC(=O)CNC(=O)c1ccccc1OC 7726748 UCPIMXDQLANRHI-UHFFFAOYSA-N 304.302 -0.282 30 20 DBED C[C@@H](C(=O)N1CCCC1)N1CCN(CC(=O)NCC#N)CC1 88594535 KZUKLTDHLBJCIR-ZDUSSCGKSA-N 307.398 -0.745 30 20 DBED C#CCSCCNC(=O)N1CCN(CC(=O)NC2CC2)CC1 121504772 AFHSAIYPGRQWKC-UHFFFAOYSA-N 324.450 -0.041 30 20 DBED CCN1CCC[C@@H]1CN/C(N)=N/C[C@@H]1CCS(=O)(=O)C1 261975496 FWMDJRQTCXUJEK-NWDGAFQWSA-N 302.444 -0.190 30 20 DBED C[C@@H]1C[C@H](C(=O)O)CN(c2c(C#N)c(=O)n(C)c(=O)n2C)C1 263181162 KHJNBSUYGWRMKH-BDAKNGLRSA-N 306.322 -0.497 30 20 DBED N#C[C@@H]1COCCN1CCOc1ccc(S(N)(=O)=O)cc1 266847436 AYKDOWBPOHCJLQ-LLVKDONJSA-N 311.363 -0.063 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H]2C[C@H](C)O)C1=O 269865780 DRSALJUHONDXKL-QWRGUYRKSA-N 323.349 -0.275 30 20 DBED C=CCS(=O)(=O)CCNS(=O)(=O)c1cncc(OC)c1 282780724 YEDLNCXCKBXXCW-UHFFFAOYSA-N 320.392 -0.031 30 20 DBED CCn1cc(C#N)c(=O)n(CC2CCS(=O)(=O)CC2)c1=O 328843242 QJJCZUVCQNTCTG-UHFFFAOYSA-N 311.363 -0.274 30 20 DBED C[C@H]1CN(C(O)=Nc2nccn(C)c2=O)C[C@H]1N1CCOCC1 329399926 AXCVGQHPZUTBJU-NWDGAFQWSA-N 321.381 -0.022 30 20 DBED O=C1C[C@H](/N=C(/O)N2CCN3CCOC[C@@H]3C2)CN1C1CC1 329781572 NIQQRXPZDQNSPP-AAEUAGOBSA-N 308.382 -0.320 30 20 DBED C[C@@H]1CCS(=O)(=O)CCN1/C(O)=N/C[C@H]1CN(C)CCO1 330332588 PBLLAZBDGPZBOR-NEPJUHHUSA-N 319.427 -0.260 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)NCc2ccn(C)n2)CC1 346532086 MDZAKPBHESFYMC-UHFFFAOYSA-N 320.397 -0.451 30 20 DBED C=CCCS(=O)(=O)N[C@@H]1CCN(CCC(=O)OC)C1=O 347154332 JIVAHDDKRAXSGM-SNVBAGLBSA-N 304.368 -0.354 30 20 DBED CC(C)(CO)[C@H](NS(=O)(=O)N1CCO[C@H](C#N)C1)C1CC1 352585634 HFGMTOSXWKVUCX-VXGBXAGGSA-N 317.411 -0.158 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)c2cnn(C)c2C#N)CC1 353829709 UPIWMGAAEUSVBN-UHFFFAOYSA-N 316.365 -0.648 30 20 DBED COC(=O)CNC(=O)CN1CC[C@@H](Oc2ccc(C#N)cn2)C1 366426491 ZCIQLAOHCHEZNN-GFCCVEGCSA-N 318.333 -0.304 30 20 DBED C[C@@H]1CN(CC(=O)NCc2cccc(C#N)c2)C[C@H](C(N)=O)O1 370480412 KXDKQGMSLFCIGT-BXUZGUMPSA-N 316.361 -0.251 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)c2cnnc(C)c2)CC1 490717922 FZWIWBHICVZZOO-UHFFFAOYSA-N 315.377 -0.318 30 20 DBED N#Cc1ccc(C(=O)NCCN2CCS(=O)(=O)CC2)nc1 521672741 RHXDLQNUASKYHP-UHFFFAOYSA-N 308.363 -0.587 30 20 DBED CC(C)NS(=O)(=O)NCCNC(=O)c1ccc(C#N)cn1 565517092 XRNMMKRZDPNJEZ-UHFFFAOYSA-N 311.367 -0.485 30 20 DBED N#CC[C@@]1(O)CCN(CC(=O)NC(=O)NCC(F)(F)F)C1 592147035 HPGZIFBRBUYIMA-SNVBAGLBSA-N 308.260 -0.275 30 20 DBED CCOC(=O)[C@@H](CO)NC[C@H](O)COc1ccc(C#N)cc1 592430271 SHQFPGJPKYQYRX-GXTWGEPZSA-N 308.334 -0.188 30 20 DBED CNS(=O)(=O)CCN1CCN(c2ccc(C#N)cn2)CC1 598586682 WJQKCILHVBDHTD-UHFFFAOYSA-N 309.395 -0.376 30 20 DBED COCCOCCS(=O)(=O)N1CCN(CCC#N)CC1 601536522 PDYNZMLPTCYIAZ-UHFFFAOYSA-N 305.400 -0.490 30 20 DBED CCNC(=O)CN(C)C(=O)CNC(=O)c1ccc(C#N)cc1 608890324 QFPCMYDXGNHEID-UHFFFAOYSA-N 302.334 -0.117 30 20 DBED N#Cc1ccc(N2CCC(NC(=O)Cn3cnnn3)CC2)nc1 608951641 QQDANZDAYBUNAA-UHFFFAOYSA-N 312.337 -0.275 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(CC(C)=O)C(C)C)C1=O 633223464 AZAVJQXJXPSQGY-UHFFFAOYSA-N 309.322 -0.211 30 20 DBED C=CCn1cc(CNS(=O)(=O)N2CCCOCC2)nn1 651746925 JAVMBSZCYHEKSK-UHFFFAOYSA-N 301.372 -0.479 30 20 DBED CC#CC[C@H](CO)NC(=O)C(=O)Nc1ccnc(OCCO)c1 658041590 CXTVRJYXFLQBKJ-GFCCVEGCSA-N 321.333 -0.718 30 20 DBED COC1(C)CN(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1 753166749 JPHNPTKVLXPMGJ-VAWYXSNFSA-N 308.338 -0.057 30 20 DBED C#C[C@H](NC(=O)CCC(=O)NCCNC(C)=O)[C@@H]1CCCO1 772881576 SDRIQGOBDQXHQS-STQMWFEESA-N 309.366 -0.684 30 20 DBED C#C[C@H](NC(=O)NCCCNS(=O)(=O)CC)[C@@H]1CCCO1 773277087 QPSBWPFZRDUWES-RYUDHWBXSA-N 317.411 -0.204 30 20 DBED C#C[C@H](NC(=O)N1CC[C@@H](S(N)(=O)=O)C1)[C@@H]1CCCO1 774976662 IUJMFABDOANOTE-VWYCJHECSA-N 301.368 -0.760 30 20 DBED C#CCC[C@@H](O)CNC(=O)CN(C)C(=O)[C@H](C)n1cccn1 799077536 JVLCTOUESYYYOI-QWHCGFSZSA-N 306.366 -0.207 30 20 DBED C[C@@H](C#N)OCCN1CCN(CCO[C@H](C)C#N)C[C@H](O)C1 801936473 QFYMVGJIANRNER-FICVDOATSA-N 310.398 -0.178 30 20 DBED C#CC[C@@H](CO)NC(=O)CCn1c(=O)nc(O)c2ccccc21 816672923 NIECXZOPYNGBPC-NSHDSACASA-N 315.329 -0.007 30 20 DBED C[C@@](C#N)(CC(=O)O)C(=O)Nc1nc(S(C)(=O)=O)n[nH]1 819865063 GPYYWQNQBXNKQC-VIFPVBQESA-N 301.284 -0.849 30 20 DBED N#Cc1nc(NC(=O)[C@@H]2[C@@H]3CCCO[C@@H]32)[nH]c1-c1nn[nH]n1 826382382 BRJYUGLSWVGENS-KWPFTWCOSA-N 300.282 -0.175 30 20 DBED C=CCn1cc(C(=O)OCC(=O)N(C)CC(=O)NCCC)nn1 830135312 ARHPUVOZAKPJJD-UHFFFAOYSA-N 323.353 -0.395 30 20 DBED C=CCn1cc(C(=O)NS(=O)(=O)C[C@H]2CCCO2)nn1 842755937 XNUSEFOOWYBTEA-SECBINFHSA-N 300.340 -0.297 30 20 DBED CCN(C[C@H](C)C#N)C(=O)COC(=O)C1(S(N)(=O)=O)CC1 845205352 YZBFQMLLGXHKNJ-SECBINFHSA-N 317.367 -0.641 30 20 DBED C#CCC[C@@H](O)CNC(=O)N[C@H]1CCN(S(C)(=O)=O)C1 845423551 UPPNRENLFMOCIE-WDEREUQCSA-N 303.384 -0.906 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N1CC[C@](C)(C(=O)NC)C1 850712877 VTEQSCPZIJHNEG-INIZCTEOSA-N 323.393 -0.531 30 20 DBED C#CC[C@@H](CO)NC(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1 854546520 HPBUHEBHUMKFGI-JOYOIKCWSA-N 309.347 -0.783 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)NCc1cc(C)ncn1 875215171 VVMREPCOKXPDOJ-GFCCVEGCSA-N 304.350 -0.054 30 20 DBED CC(C)[C@@H](C#N)N1CCN(C(=O)[C@H]2OCCN(C)C2=O)CC1 900480377 NMUIEGPSZZWVTC-OLZOCXBDSA-N 308.382 -0.464 30 20 DBED C#CCNCC(=O)Nc1ccc([C@@]2(C)NC(=O)NC2=O)cc1 912285500 UVHPPKKTHWDDEW-OAHLLOKOSA-N 300.318 -0.098 30 20 DBED CCN(CCC#N)S(=O)(=O)N[C@H](C)[C@H]1CN(C)CCN1C 919991237 UWQQZDRVKUODMT-CHWSQXEVSA-N 317.459 -0.309 30 20 DBED C#CCNS(=O)(=O)N1CCN(Cc2cnc(CC)o2)CC1 930119138 ORZSKGZUDVQTSP-UHFFFAOYSA-N 312.395 -0.178 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)c2cn(CC)nn2)CC1 932038547 LOCZOQYNLHGPIV-UHFFFAOYSA-N 318.381 -0.805 30 20 DBED O=C(N[C@@H]1CCN(C(=O)C#CC2CC2)C1)c1ccc2nnnn2c1 941529393 KPOYYSQQGZZRMJ-CYBMUJFWSA-N 324.344 -0.132 30 20 DBED C=CCn1cc(C(=O)N2CCO[C@@H](CNC(=O)C3CC3)C2)nn1 944438784 ISAHJXZYOFQKIF-LBPRGKRZSA-N 319.365 -0.169 30 20 DBED C=CCN1CC[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C[C@@H]1C 947369689 OPDHMOKSOUQWIN-QWHCGFSZSA-N 320.393 -0.298 30 20 DBED CN1C[C@@H](C(=O)N2CCC3(CC2)CN(CC#N)CCO3)NC1=O 949433309 NSAIFWPOKTZNLE-LBPRGKRZSA-N 321.381 -0.773 30 20 DBED N#Cc1ccc(C(=O)NC[C@H]2CCN2C(=O)[C@@H]2COC(=O)N2)[nH]1 949452082 FVCBJLUVVQIPQY-KOLCDFICSA-N 317.305 -0.675 30 20 DBED C=CCn1cc(C(=O)N2CC(N(C)C(=O)[C@H]3CCCO3)C2)nn1 953674003 ZIZVQUUTPFACGR-CYBMUJFWSA-N 319.365 -0.074 30 20 DBED C=CCn1cc(C(=O)N[C@@]2(C)CCN(C(=O)COC)C2)nn1 956930784 XDHLJUCMPQAGHX-AWEZNQCLSA-N 307.354 -0.169 30 20 DBED C#Cc1ccc(C(=O)N[C@]2(C)CCN(C(=O)CC(N)=O)C2)cn1 957251769 KKFJDJRDZNQKFS-MRXNPFEDSA-N 314.345 -0.341 30 20 DBED CN(C)c1ccc(C(=O)NC[C@@H]2CN(CC#N)C[C@@H]2O)cn1 958202274 CIVHOSHRJBHOTF-OLZOCXBDSA-N 303.366 -0.306 30 20 DBED Cc1cnc(C(=O)N(C)[C@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)cn1 958460947 KZRXBAXYEAGMSP-ICCXJUOJSA-N 317.349 -0.412 30 20 DBED COCc1ncsc1C(=O)NC[C@H]1CN(CC#N)C[C@@H]1O 958471415 JVRVPJWEBXSRFL-ONGXEEELSA-N 310.379 -0.164 30 20 DBED Cc1ncc(C(=O)N2CCO[C@@H]3CN(C(=O)[C@H](C)C#N)C[C@@H]32)[nH]1 960134258 HQWXFLPQSDLYDO-JIMOISOXSA-N 317.349 -0.070 30 20 DBED C[C@@H]1C[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 962391712 PSZWKLGSUUTVQE-STRQVWJDSA-N 302.334 -0.156 30 20 DBED C=C[C@@](C)(CC)C(=O)N1CC2(CN(C(=O)C(N)=O)CCO2)C1 965474661 UIZDJBZMXOYDSU-AWEZNQCLSA-N 309.366 -0.486 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C2(C)CC2)C[C@@H]1O 968348023 LHOXOXVDZYDHQE-RDBSUJKOSA-N 319.405 -0.428 30 20 DBED N#Cc1cccc(CN[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)C2)c1 969766338 LVUOLQRQJYENQE-KGLIPLIRSA-N 313.361 -0.070 30 20 DBED C[C@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)[C@@H]1COCCO1)C2 969803799 CXIOIEJLXZYYGG-VOAKCMCISA-N 307.350 -0.237 30 20 DBED C=CCn1cc(C(=O)N2CC[C@@H](NCc3cnnn3C)C2)nn1 970206324 VKDPRHNGUBGVRZ-LLVKDONJSA-N 316.369 -0.403 30 20 DBED N#Cc1ccc(C(=O)N2C[C@H]3CCN(C(=O)C(N)=O)C[C@H]32)[nH]1 971848235 SHQRUZHJKXSLQL-LDYMZIIASA-N 301.306 -0.955 30 20 DBED C=CCN1C[C@H]2C(CNC(=O)c3nccnc3C(N)=O)[C@@H]2C1 979055711 IUZBOYRWNPDRCN-QWRGUYRKSA-N 301.350 -0.331 30 20 DBED C#CCN[C@@H]1CCC[C@@H]2CN(C(=O)C3CS(=O)(=O)C3)C[C@@H]21 992707282 HCLIZARFVBBXHT-KWCYVHTRSA-N 310.419 -0.119 30 20 DBED C=CCNC1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)CC1 996646923 SVDWBQRVZGYWIK-UHFFFAOYSA-N 306.366 -0.686 30 20 DBED C=CCOc1ccccc1C(=O)N1CC(NC(=O)C(N)=O)C1 998726881 IGXRGYURHLLFIM-UHFFFAOYSA-N 303.318 -0.323 30 20 DBED C=CCn1cc(C(=O)N2CC(NC(=O)[C@H]3OCC[C@H]3C)C2)nn1 999998990 BMAWZFRRIULABE-MFKMUULPSA-N 319.365 -0.170 30 20 DBED CC#CCN1CCC[C@H](NC(=O)c2nccnc2C(N)=O)C1 1009458890 JPWOYMUECFYMDW-NSHDSACASA-N 301.350 -0.207 30 20 DBED Cn1[nH]c(CN2CC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)nc1=O 1010457892 PDGGXZVMEXJHNI-SNVBAGLBSA-N 315.337 -0.688 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C(=O)C[C@@H]2CCCC(=O)N2)CC1 1011743217 WMYHAIYGSQZNSF-NEPJUHHUSA-N 306.366 -0.124 30 20 DBED C#Cc1ccccc1CC(=O)NC1[C@@H]2CN(C(=O)C(N)=O)C[C@@H]12 1013521646 WNTSEJCSPWLIQG-CHWSQXEVSA-N 311.341 -0.731 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H]2C(NC(=O)c3nnn(C)n3)[C@@H]2C1 1013596393 LRZJFJXMQLIWJM-RKDXNWHRSA-N 304.354 -0.391 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCN(Cc3cnnn3C)C2)nn1 1015811512 HSQGMPIXRRQVCE-NSHDSACASA-N 316.369 -0.403 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCN(C(=O)[C@]3(C)CCC(=O)N3)C2)C1 1019364604 HZBTVFHJZNSIIM-NHYWBVRUSA-N 318.377 -0.124 30 20 DBED C[C@H](C#N)C(=O)N1CCCO[C@@H](CNC(=O)c2nc[nH]n2)C1 1019644868 MRRARBWIKCVGHP-ZJUUUORDSA-N 306.326 -0.688 30 20 DBED C=CCN1CC[C@H]2[C@@H](CCCN2C(=O)CN2CCNC(=O)C2)C1 1021653216 VPKKWEZVDVHCHG-GJZGRUSLSA-N 320.437 -0.083 30 20 DBED C=CCN1CC[C@H](N[C@H]2C[C@@H](NC(=O)[C@@H]3[C@H]4COC[C@H]43)C2)C1=O 1022572232 QVIDFZZYKDTMGT-ZLCQRPCESA-N 319.405 -0.098 30 20 DBED Cc1nn(C)c(C)c1C(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1O 1024852649 ICLCBNYVISAKQZ-XXILOJSOSA-N 319.365 -0.502 30 20 DBED O=C(C#CC1CC1)N1C[C@@H](O)[C@H](NC(=O)[C@@]2(F)CCOC2)C1 1025205356 IZDOUQDXIAYRKP-LALPHHSUSA-N 310.325 -0.784 30 20 DBED CC1CCN(CC(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2O)CC1 1025290269 DNIRUSDANTZSKU-MGPQQGTHSA-N 322.409 -0.434 30 20 DBED C#Cc1ccc(C(=O)NC2CN([C@H]3CCC(=O)NC3=O)C2)cn1 1031278391 KQQNTWZJQDGNJB-ZDUSSCGKSA-N 312.329 -0.718 30 20 DBED N#CCN1CCO[C@@H](CNC(=O)c2cc(C(N)=O)ccn2)C1 1035625918 WIQDAUZNVAFTMN-NSHDSACASA-N 303.322 -0.865 30 20 DBED CC#CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)Cn1nc(C)n(C)c1=O 1037698383 UVMSXZJXATXZDX-MBNYWOFBSA-N 303.366 -0.898 30 20 DBED C#CCN[C@@H]1CCN(C(=O)c2cn(C)c(=O)nc2O)C[C@H]1CC 1037975767 VWRGENFJJLLRFF-DGCLKSJQSA-N 318.377 -0.051 30 20 DBED C=CCCC(=O)N1CC[C@@](O)(CNC(=O)c2cnn(CC)n2)C1 1039631708 ITTQCSLFRNMZNE-OAHLLOKOSA-N 321.381 -0.043 30 20 DBED O=C(C#CC1CC1)NC[C@@]1(O)CCN(C(=O)CN2CCCC2)C1 1039688146 BBUZUZQSGKOXTO-KRWDZBQOSA-N 319.405 -0.425 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@]1(O)CCN(C(=O)c2cc[nH]c2)C1 1039725316 GJWDHHHRDRXSES-MLGOLLRUSA-N 319.361 -0.254 30 20 DBED C#CCN1CCC2(CC1)CCN(C(=O)CN1C(=O)CNC1=O)C2 1040930848 XTTXBANPGANUAM-UHFFFAOYSA-N 318.377 -0.514 30 20 DBED CC(=O)N1CCOC[C@H]1C(=O)N1CC[C@]2(CCN(CC#N)C2)C1 1041839755 POVCJGZLOTVIHN-HOCLYGCPSA-N 320.393 -0.318 30 20 DBED CC(C)OCC(=O)NCC1(O)CN(C(=O)CSCC#N)C1 1041840980 HNYSAAULNUHKJI-UHFFFAOYSA-N 315.395 -0.642 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)[C@@H](C)CSC)C1 1042082614 KFNZQLNOPRLZEY-NSHDSACASA-N 316.423 -0.122 30 20 DBED C[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1NC(=O)[C@@H]1CCNC1=O 1042401575 WLGJCIMTQRLUQS-GMTAPVOTSA-N 314.349 -0.575 30 20 DBED CCN(C)CCC(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042961050 SOIJOVZYCQIEPH-UHFFFAOYSA-N 307.394 -0.569 30 20 DBED O=C(C#CC1CC1)NCC1(O)CN(C(=O)C[C@@H]2CCCOC2)C1 1042963497 NZUWRQWFLGQTFH-AWEZNQCLSA-N 320.389 -0.094 30 20 DBED CC(C)(C)C#CC(=O)NCC1(O)CN(C(=O)[C@H]2COCCO2)C1 1042966445 WXWBRWPRWREHMQ-GFCCVEGCSA-N 324.377 -0.859 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)[C@H]2CC23CCC3)C1 1043035661 ABHLKHFKJMVIOD-CYBMUJFWSA-N 320.389 -0.094 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)CCc2nccs2)C1 1043163577 FQOLWLWPWWZFJW-SNVBAGLBSA-N 322.390 -0.075 30 20 DBED C[C@H]1C[C@@H](NCC#N)CCN1C(=O)CCc1nnc(O)nc1O 1044655445 CEMHCHPNRORFQD-UWVGGRQHSA-N 320.353 -0.292 30 20 DBED C=CCCN1CC[C@H](N2CCN(C(=O)[C@@H]3COC(=O)N3)CC2)C1 1046023984 AZASLOJPQBZYDQ-KBPBESRZSA-N 322.409 -0.111 30 20 DBED C=CCn1cc(C(=O)N[C@]2(C)CCN([C@H](C)C(N)=O)C2)nn1 1046681303 MTXBLCCMIKYXHZ-QMTHXVAHSA-N 306.370 -0.468 30 20 DBED Cc1cn2c(n1)C[C@@H](C(=O)N(C)[C@H]1CN(CC#N)C[C@@H]1O)CC2 1047428078 WSDZVSANVCVOMB-IHRRRGAJSA-N 317.393 -0.219 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)C(=O)N2CC[C@H](C)C2)C1 1047592783 IEFDGKUKCRHTOB-IHRRRGAJSA-N 307.394 -0.618 30 20 DBED C=CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC(=O)N2)C1 1048551120 CECVJGQRUXDVHP-AGIUHOORSA-N 323.393 -0.349 30 20 DBED C#CCCN1CCC2(CC1)CN(C(=O)Cn1ncn(C)c1=O)C2 1050571063 LBVGPOWASFLSTB-UHFFFAOYSA-N 317.393 -0.471 30 20 DBED C#CCCN1CCC2(CC1)CN(C(=O)CN1CC(=O)NC1=O)C2 1050701939 SYQSLBZGQSCGRE-UHFFFAOYSA-N 318.377 -0.514 30 20 DBED C=CCN1CCN([C@H]2CCN(C(=O)[C@H]3COCCO3)C2)CC1 1051986533 HLTYBTCBYWUAFV-LSDHHAIUSA-N 309.410 -0.194 30 20 DBED C#CCCN1CCN([C@H]2CCN(C(=O)c3cnnn3C)C2)CC1 1052021799 GBDYJNMVYTUFFM-AWEZNQCLSA-N 316.409 -0.330 30 20 DBED C#CCCN1CC2(CC[C@@H](CNC(=O)[C@@H]3CCC(=O)N3)O2)C1 1053690768 NSLNHVVTXPZLIY-STQMWFEESA-N 305.378 -0.362 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)c3cnc4[nH]nnc4c3)CO2)C1 1053830900 OMBWOGCXBJGYLB-JTQLQIEISA-N 313.321 -0.550 30 20 DBED N#Cc1ccc(N2CCN(C(=O)Cn3ccccc3=O)CC2)nn1 1055813827 RDANLVVKUBFSDS-UHFFFAOYSA-N 324.344 -0.141 30 20 DBED Cc1cc(C#N)nc(N2CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)n1 1055862601 HTCOOHVODARFAB-LBPRGKRZSA-N 314.349 -0.416 30 20 DBED C[C@@H](C#N)C(=O)N[C@@]1(CO)CCCN(C(=O)CSCC#N)C1 1056094110 QBZRIGOPPXUGCT-FZMZJTMJSA-N 324.406 -0.127 30 20 DBED CCc1nc(C#N)cc(N2C[C@H]3[C@H](NC(=O)c4nc[nH]n4)[C@H]3C2)n1 1056272510 POWVAUYPYZAYEM-IWIIMEHWSA-N 324.348 -0.107 30 20 DBED O=C(C#CC1CC1)NCCN(CCO)C(=O)C1=COCCO1 1056877025 DBOUAPMLJKYSIJ-UHFFFAOYSA-N 308.334 -0.775 30 20 DBED CN(c1ccncc1C#N)[C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 1057012545 JRRWXFNJNKDQAZ-VXGBXAGGSA-N 314.349 -0.328 30 20 DBED Cn1ncc(C(=O)N2CCCN(c3cncc(C#N)n3)CC2)n1 1057154728 PDXSCCGZIDZVOJ-UHFFFAOYSA-N 312.337 -0.171 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)CCc1nc[nH]n1 1057298419 LNZSWHFPRZLRNY-UHFFFAOYSA-N 321.381 -0.666 30 20 DBED CC(C)(C(N)=O)C(=O)N1CCC(N=c2cc[nH]c(C#N)n2)CC1 1057383012 ZQRIALJZKPAASP-UHFFFAOYSA-N 316.365 -0.315 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)[C@H]1CCCNC1=O 1057444992 BNLRPJIFJCPZDR-ZDUSSCGKSA-N 323.393 -0.747 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)C[C@@H]1CCNC1=O 1057524684 MZGBYMWGIPTZET-ZDUSSCGKSA-N 323.393 -0.891 30 20 DBED C#CCOCCC(=O)N(CCO)CCNC(=O)C[C@H](C)OC 1057581357 QQIAOWJHVYPJFR-ZDUSSCGKSA-N 314.382 -0.612 30 20 DBED CCc1oncc1C(=O)N(CCO)CCNC(=O)[C@H](C)C#N 1057615745 UACQLVZCNQAADB-SNVBAGLBSA-N 308.338 -0.053 30 20 DBED C=CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)Cn1cccn1 1057921873 RLQJOJMSZXYMGM-ZDUSSCGKSA-N 324.381 -0.589 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)c1csc(O)n1 1058462087 IZJKHYAILRQRSL-MRVPVSSYSA-N 312.351 -0.441 30 20 DBED CC(C)n1cc(C(=O)N(CCO)CCNC(=O)[C@H](C)C#N)nn1 1058664840 OXQUEGMJGGBWMI-LLVKDONJSA-N 322.369 -0.431 30 20 DBED N#Cc1nccnc1N1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1nc[nH]n1 1058775671 PQFQZANDJIRNPV-PHIMTYICSA-N 324.348 -0.111 30 20 DBED N#Cc1cncc(N[C@H]2C[C@H](NC(=O)[C@@H]3COC(=O)N3)C2)n1 1059212100 RIUJZLJIHAIUDX-NRPADANISA-N 302.294 -0.484 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCC2(CC1)CN(C(=O)C(N)=O)C2 1061112064 UMAWBTGEDOJKPZ-CQSZACIVSA-N 309.366 -0.750 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@H]1COCCN1C(=O)CCOC 1061543097 OYUAUOMJSYFIIW-DOMZBBRYSA-N 314.382 -0.306 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H]1COCCN1C(=O)c1cnon1 1061587450 NNEQOPZNIGCONN-GHMZBOCLSA-N 322.321 -0.935 30 20 DBED C#CCCCC(=O)N1CCOC[C@@H]1CNC(=O)Cn1nccn1 1061616481 KUKARCVVWAHTDQ-ZDUSSCGKSA-N 319.365 -0.575 30 20 DBED CN(C(=O)Cn1cnnn1)[C@H]1CCN(c2ccncc2C#N)C1 1062883977 ONXVGUXWXGHQKM-LBPRGKRZSA-N 312.337 -0.323 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)c2nccnc2N)CCO1 1064992343 CDQOFEBKUTXHKW-NSHDSACASA-N 319.365 -0.018 30 20 DBED C#CCNC(=O)CC(=O)N1CCO[C@@H](CNC(=O)CCCC)C1 1065064136 UACYMEAUTLDKLP-ZDUSSCGKSA-N 323.393 -0.340 30 20 DBED CCn1nncc1C(=O)N1CCO[C@@H](CNC(=O)[C@@H](C)C#N)C1 1065117413 NXBBUYDWPUZGSM-QWRGUYRKSA-N 320.353 -0.585 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CN(C(=O)CN(C)C2CCC2)CCO1 1065270993 IGWIUNAHIJXZGJ-JSGCOSHPSA-N 322.409 -0.026 30 20 DBED Cn1nnc(C(=O)N[C@@]2(C)CCN(c3nccnc3C#N)C2)n1 1065316542 FXXJOKFCCLFAAN-ZDUSSCGKSA-N 313.325 -0.729 30 20 DBED C=C(C)CCC(=O)NC[C@@H]1CN(C(=O)c2nnn(C)n2)CCO1 1065470238 WUFNDCZRBHPSCW-LLVKDONJSA-N 322.369 -0.476 30 20 DBED C=CC(C)(C)C(=O)NC[C@H]1CN(C(=O)[C@@H]2CNC(=O)N2)CCO1 1065541874 ZKGOKRCAVJEHNF-QWRGUYRKSA-N 324.381 -0.776 30 20 DBED CN(C(=O)c1ccon1)[C@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1065564998 VEJJEZSYIAQOGC-RYUDHWBXSA-N 314.305 -0.342 30 20 DBED C#CCO[C@H](C)C(=O)N(C)CCCN(C)C(=O)c1ncn(C)n1 1067332859 APWBCWQORIWQIE-GFCCVEGCSA-N 321.381 -0.226 30 20 DBED C[C@H](N=c1cc[nH]cc1C#N)[C@H]1CN(C(=O)CC(N)=O)CCO1 1068227996 SJKNFSGIBYSYJV-GXFFZTMASA-N 317.349 -0.722 30 20 DBED C[C@H]1C[C@H](Nc2cnc(C#N)cn2)CN1C(=O)Cn1ncnn1 1069151947 JSLZFUYTLUMHEX-UWVGGRQHSA-N 313.325 -0.564 30 20 DBED C#CCN[C@@H]1CN(C(=O)CCc2nc[nH]n2)C[C@@H]1n1ccnn1 1070172116 PSFSYLKPYYWRDA-NEPJUHHUSA-N 314.353 -0.996 30 20 DBED C#CCCN1CC[C@]2(C1)CN(C(=O)C1(C(N)=O)CC1)C[C@@H](C)O2 1071205235 ZWTNCJUEFPVKHD-CJNGLKHVSA-N 319.405 -0.033 30 20 DBED CC#CCN1C[C@H](NC(=O)c2cn(CC(N)=O)nn2)CC[C@@H]1C 1072099408 QJCCIQUSABGOSQ-NWDGAFQWSA-N 318.381 -0.631 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(C(=O)CCN(C)C)C[C@H]1C 1072671927 OICPBSAZDMSKQQ-CHWSQXEVSA-N 322.409 -0.959 30 20 DBED C=C(C)C[C@H](C)C(=O)N1CC(N2CCN(C(=O)C(N)=O)CC2)C1 1073596116 FLSZXIRXPYCORN-LBPRGKRZSA-N 322.409 -0.571 30 20 DBED C=CCOCC(=O)N1CC[C@@H](NC(=O)c2nc[nH]n2)[C@H](C)C1 1074107207 NLFXQSOPGRNLLI-GHMZBOCLSA-N 307.354 -0.026 30 20 DBED C=CCCN1CCO[C@@H]2CCN(C(=O)Cn3cnnn3)C[C@@H]21 1074159759 JYUPXYDJBKMGJU-QWHCGFSZSA-N 306.370 -0.449 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)c3cc(=O)n(C)o3)C[C@H]21 1074226562 SEEYSSWXNXFFDG-VXGBXAGGSA-N 305.334 -0.473 30 20 DBED CCn1nncc1C(=O)N1CC[C@@H]2OCCN(CC#N)[C@H]2C1 1074237298 XCMMXUJSESAOMC-STQMWFEESA-N 304.354 -0.263 30 20 DBED C#CCOCCC(=O)NCC[C@H](C)NC(=O)Cn1cccn1 1076504339 WMPYMMKESWFTII-ZDUSSCGKSA-N 306.366 -0.066 30 20 DBED Cc1nc(CN2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)n[nH]1 1076907625 VZZZCAOUTIDLBY-VXGBXAGGSA-N 315.337 -0.712 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)Cc2ncccc2OC)C1 1077573921 WVVRIDOCNSACLC-ZIAGYGMSSA-N 303.362 -0.183 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)c2cccc(C(=O)NC)n2)C1 1078098713 BBMNKEZVOKZYOW-CHWSQXEVSA-N 304.350 -0.598 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)c2nc3nc(C)cc(C)n3n2)C1 1078123315 MZFSZAWJDAOOQQ-VXGBXAGGSA-N 316.365 -0.298 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)c2cncc(C(N)=O)c2)C1 1078194517 NLYZXPIAVDOYQK-CHWSQXEVSA-N 304.350 -0.469 30 20 DBED C[C@H](C#N)C(=O)N1CCCO[C@H](CNCc2nncn2C)C1 1078359716 CHNGGYHKZIHORZ-VXGBXAGGSA-N 306.370 -0.318 30 20 DBED N#CCN[C@@H]1C[C@H](NC(=O)Cn2c(O)nnc2O)C12CCC2 1078793983 DDAMWTSXHJDWCX-BDAKNGLRSA-N 306.326 -0.770 30 20 DBED C=CCO[C@H](C)C(=O)N1CC(N(CC)C(=O)CNC(C)=O)C1 1079229285 UDKPHGPKZZBKGK-LLVKDONJSA-N 311.382 -0.227 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(N(CC)C(=O)CNC(N)=O)C1 1079279305 CVJANVHBDIRVFT-AWEZNQCLSA-N 312.370 -0.959 30 20 DBED C#CCNC(=O)CC(=O)N(CC)C1CN(C(=O)CC2CC2)C1 1079637722 IYXDFZMBDTVCQU-UHFFFAOYSA-N 305.378 -0.015 30 20 DBED C=C[C@](C)(O)CC(=O)N(CC)C1CN(C(=O)[C@H]2CNC(=O)N2)C1 1079686849 KZSDGDGIIDZNGR-ABAIWWIYSA-N 324.381 -0.946 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC(N(CC)C(=O)C(N)=O)C1 1080404256 ZDWHXZJRJJAKNG-GFCCVEGCSA-N 324.381 -0.998 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)COCC=C)C[C@H]1O 1081347320 UYXNRNQCINAPEH-QWHCGFSZSA-N 312.366 -0.673 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@@H]1CCCN(C(C)=O)C1 1081914454 QAOCZHOTCTVRRG-MGPQQGTHSA-N 308.382 -0.416 30 20 DBED C=CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cn(C)c(=O)cn1 1083149054 WLHSBLIRVRJIQD-QWHCGFSZSA-N 304.350 -0.509 30 20 DBED C=CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cn(C)c(=O)nc1O 1083273359 NJHZYOJTKDEXNM-NWDGAFQWSA-N 320.349 -0.803 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)C[C@@H]2CCCS2(=O)=O)C1 1083669764 VBYPSXITENBCPN-XQQFMLRXSA-N 316.423 -0.309 30 20 DBED CC(=O)NCc1ccc(C(=O)N[C@@H]2CN(CC#N)C[C@@H]2O)s1 1083815064 GEZULILUKVJGGE-NEPJUHHUSA-N 322.390 -0.317 30 20 DBED CNC(=O)Nc1cccc(C(=O)N[C@@H]2CN(CC#N)C[C@@H]2O)c1 1083955031 UEYCQBCHVDUIIQ-OLZOCXBDSA-N 317.349 -0.264 30 20 DBED C#Cc1ccccc1CC(=O)N[C@@H]1CN([C@H](C)C(N)=O)C[C@@H]1O 1083998671 ILBVHOTUBHJFOT-DFBGVHRSSA-N 315.373 -0.755 30 20 DBED C=CCN1CC[C@@H](NC(=O)c2ccnc3[nH]nnc23)[C@@H](O)C1 1090419019 CDAICEURXUVYSD-MNOVXSKESA-N 302.338 -0.296 30 20 DBED CC[C@H](C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O)N(C)C 1091123521 VWNNOVMAOQYFBX-UTUOFQBUSA-N 318.381 -0.646 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(c2nccc(OC)n2)C[C@@H]1O 1091152642 FLYXJKIBHCZWFP-UTUOFQBUSA-N 320.349 -0.811 30 20 DBED N#Cc1ccc(N[C@@H]2CCCC[C@H]2NC(=O)CNC(N)=O)nn1 1091231957 BPQJXLVXOPJXOU-GHMZBOCLSA-N 317.353 -0.144 30 20 DBED COC(=O)NCC(=O)NC[C@H]1C[C@H](N=c2cc[nH]c(C#N)n2)C1 1091425483 RPCHJPOLUXNLCD-MGCOHNPYSA-N 318.337 -0.567 30 20 DBED N#Cc1nc(=N[C@H]2C[C@H](CNC(=O)Cn3ccnc3)C2)cc[nH]1 1091464674 VWGTYYYYKGUFIF-HAQNSBGRSA-N 311.349 -0.026 30 20 DBED CNC(=O)CC(=O)N[C@H]1CCN(c2ccc(C#N)cn2)C[C@H]1O 1092149342 XNMQETKJUUNGRZ-NWDGAFQWSA-N 317.349 -0.855 30 20 DBED N#Cc1cncc(NCCNC(=O)C[C@H]2CCCC(=O)N2)n1 1094259228 KEABUUYSGYKASL-SNVBAGLBSA-N 302.338 -0.065 30 20 DBED Cc1ncc(C(=O)NCc2cn(C3CN(CC#N)C3)nn2)n1C 1094313874 GYBBQLVXRXDCNU-UHFFFAOYSA-N 314.353 -0.370 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)[C@@H]3CC(=O)N(C)C3)CC2=O)C1 1094742236 PKRACRIYZLVNTG-VXGBXAGGSA-N 320.393 -0.948 30 20 DBED CN(C)C(=O)CC(=O)N[C@@H]1CCCN(c2nccnc2C#N)C1 1096237222 FAIJZVVHEFITHQ-LLVKDONJSA-N 316.365 -0.088 30 20 DBED COC[C@@H](OC)C(=O)N[C@H]1CCN(c2nccnc2C#N)C1 1096481991 FWFLDSBYJWWMFB-CMPLNLGQSA-N 305.338 -0.295 30 20 DBED Cn1nnc(C(=O)NC[C@@H](Nc2cnc(C#N)cn2)C2CC2)n1 1096788237 JYXNWUQMGCUPQI-SNVBAGLBSA-N 313.325 -0.508 30 20 DBED C[C@H](CNC(=O)c1c[nH]c(C(N)=O)c1)N=c1cc[nH]c(C#N)n1 1097860441 KSUUAJMDHYYWDF-MRVPVSSYSA-N 313.321 -0.572 30 20 DBED C[C@H](CNC(=O)c1cnc(O)n1C)N=c1cc[nH]c(C#N)n1 1098213076 BROHYRRZNHYGIO-MRVPVSSYSA-N 301.310 -0.560 30 20 DBED C[C@@H](CNC(=O)c1cc(=O)n(C)cn1)N=c1cc[nH]cc1C#N 1098363139 OQAKHSPGCGUTHO-JTQLQIEISA-N 312.333 -0.301 30 20 DBED C=CCn1cc(C(=O)N[C@]23CCC[C@H]2CN(CC(N)=O)C3)nn1 1099069130 LAUOVCSIGPBYKX-NHYWBVRUSA-N 318.381 -0.466 30 20 DBED C#CCN1C[C@@H]2CCC[C@]2(NC(=O)CN2CC(=O)N(C)C2=O)C1 1099117403 FHSQTBMPYSMUCB-LRDDRELGSA-N 318.377 -0.516 30 20 DBED N#CCSCC(=O)N1C[C@H]2CC[C@H]1[C@@H]1CN(CC(N)=O)C[C@H]21 1099425236 OTOJEIRZQAOGEA-LPWJVIDDSA-N 322.434 -0.103 30 20 DBED C[C@H](NC(N)=O)C(=O)N[C@@H]1CN(CC#N)CC2(CCOCC2)C1 1099577204 USQSKXDPDJIIIT-RYUDHWBXSA-N 323.397 -0.446 30 20 DBED CCc1nc(C#N)cc(N(C)CCNC(=O)[C@@H](C)NC(C)=O)n1 1099910210 ROOOEWVAJZDICU-SNVBAGLBSA-N 318.381 -0.012 30 20 DBED COCC#CCN1CC[C@H](NC(=O)Cn2nccc2C)[C@H](O)C1 1100022584 OGFBTMXKMQPJIZ-LSDHHAIUSA-N 320.393 -0.607 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)Cc2ccon2)C1 1100205841 SUTLYDAMLQNGAO-UHFFFAOYSA-N 304.350 -0.549 30 20 DBED Cc1cc(C#N)nc(N(C)CCNC(=O)[C@H](C)CC(N)=O)n1 1100268630 DRJCTYDBBFSGHD-SECBINFHSA-N 304.354 -0.279 30 20 DBED CN(C)C(=O)CC(=O)NC[C@@H]1CCCN1c1nccnc1C#N 1100913787 QBMCOMKFIFPMOR-NSHDSACASA-N 316.365 -0.088 30 20 DBED Cc1ccc(C#N)c(N2CC[C@H](CNC(=O)CNC(N)=O)C2)n1 1100928090 WUFQKWLDAMETTH-LLVKDONJSA-N 316.365 -0.128 30 20 DBED CCN1CCO[C@@H](C(=O)N(C)CCNc2cnc(C#N)cn2)C1 1101638482 VEPCHLMJQFSSEA-CYBMUJFWSA-N 318.381 -0.061 30 20 DBED CNC(=O)C1(C(=O)N(C)CCN=c2cc[nH]cc2C#N)CC1 1101682727 WZYCVMHAXFZNRR-UHFFFAOYSA-N 301.350 -0.228 30 20 DBED CCN1CCOC[C@@H]1C(=O)N(C)CCNc1cnc(C#N)cn1 1101837141 JEUUHFOCVTUXIN-CYBMUJFWSA-N 318.381 -0.061 30 20 DBED C[C@@H](C(=O)N(C)CCN=c1cc[nH]c(C#N)n1)[C@@H]1CCC(=O)N1 1101966065 VQYRORZVALZWOP-MNOVXSKESA-N 316.365 -0.445 30 20 DBED CC[C@@H](CNC(=O)CS(C)(=O)=O)N=c1cc[nH]c(C#N)n1 1102997553 NGGBTQDXIPJBTP-VIFPVBQESA-N 311.367 -0.879 30 20 DBED CC[C@@H](CNC(=O)[C@@H]1COC(=O)N1)N=c1cc[nH]c(C#N)n1 1103052416 GRRNQUXILIGHDE-IUCAKERBSA-N 304.310 -0.815 30 20 DBED CC[C@H](CNC(=O)[C@@H]1CNC(=O)N1)Nc1ccc(C#N)nc1 1103277404 HUYCMCWEZDHRDC-SKDRFNHKSA-N 302.338 -0.059 30 20 DBED CC[C@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)N=c1cc[nH]c(C#N)n1 1103306070 VPPBVLYBLDFEGT-BBBLOLIVSA-N 302.338 -0.802 30 20 DBED CNC(=O)CC(=O)NCC[C@H]1CCCN1c1ccc(C#N)nn1 1103741926 DMORSKGERLAMGQ-GFCCVEGCSA-N 316.365 -0.041 30 20 DBED C#CCNCc1cn(C2CN(C(=O)[C@@]34COC[C@@H]3C4)C2)nn1 1105243900 LDLRWNCNAQFAKO-NHYWBVRUSA-N 301.350 -0.579 30 20 DBED C[C@@H]1CN(C)C[C@H]1C(=O)N1CC(n2cc(CNCC#N)nn2)C1 1105326744 DWDDGJSCMZXZRK-BXUZGUMPSA-N 317.397 -0.528 30 20 DBED CN1CCC(C(=O)NC[C@H](O)CN=c2cc[nH]c(C#N)n2)CC1 1105883705 XQWUAUWZMYIUKE-GFCCVEGCSA-N 318.381 -0.999 30 20 DBED C[C@H]1CCCN1CC(=O)NC[C@@H](O)CNc1cncc(C#N)n1 1106108818 PYHDTABQKPVRBR-AAEUAGOBSA-N 318.381 -0.278 30 20 DBED C[C@H](CCNc1cncc(C#N)n1)NC(=O)CN1CCOCC1 1106280980 FZEKJKZVBRBNFF-GFCCVEGCSA-N 318.381 -0.013 30 20 DBED C[C@H](CCNc1cncc(C#N)n1)NC(=O)Cn1cnnc1O 1106286856 BBYXEPLGZXBOJT-SECBINFHSA-N 316.325 -0.348 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)[C@H]2CN(C)C(=O)N2)C[C@H]1C 1106524983 XKYLZBCWSWDKQI-MGPQQGTHSA-N 322.409 -0.656 30 20 DBED N#Cc1c[nH]ccc1=NC/C=C/CNC(=O)CNC(=O)C1CC1 1107061520 NMNFTMHKFOJHKZ-OWOJBTEDSA-N 313.361 -0.014 30 20 DBED N#Cc1nc(=NC/C=C/CNC(=O)[C@@H]2CCC(=O)N2)cc[nH]1 1107280734 SYYIADCIDPTTCB-YOLVWIGZSA-N 300.322 -0.867 30 20 DBED C[C@H](CNc1cnc(C#N)cn1)NC(=O)c1cn(C)c(=O)n1C 1107798146 BUAGPQCCRQRZAJ-SECBINFHSA-N 315.337 -0.384 30 20 DBED C=CCCC(=O)NC[C@]1(C)CN(CC(=O)NC(N)=O)CCO1 1107802749 YOXZJRWHLQEJKK-CQSZACIVSA-N 312.370 -0.645 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)CNC(=O)CC)CC2=O)C1 1108523205 DUBAREGZLDCXEK-LLVKDONJSA-N 308.382 -0.900 30 20 DBED C#CCNC(=O)CN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cc[nH]n1)C2 1108625123 UXPUMMWOTWUZHD-XQQFMLRXSA-N 315.377 -0.258 30 20 DBED C[C@H](CN(C)c1nccnc1C#N)NC(=O)[C@H]1COCCO1 1108829547 ONNLWNMBEQUXCP-ZYHUDNBSSA-N 305.338 -0.295 30 20 DBED C[C@@H](CN(C)c1ccnc(C#N)n1)NC(=O)c1nnn(C)n1 1109179169 MIUMZLICBAAUIG-QMMMGPOBSA-N 301.314 -0.874 30 20 DBED C[C@@H](CN(C)c1ccnc(C#N)n1)NC(=O)[C@H]1CCNC1=O 1109206156 SZVRMGRZVXDMGR-UWVGGRQHSA-N 302.338 -0.575 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1[C@H]2C[C@H]1N(c1cc(F)ncn1)C2 1109704059 KMLDAWKSYMPGQK-FEUHOPSXSA-N 317.324 -0.552 30 20 DBED CNC(=O)NCCC(=O)NCC1(Nc2ccc(C#N)nn2)CC1 1110129463 IHMTWGVWSOVMNJ-UHFFFAOYSA-N 317.353 -0.272 30 20 DBED COC[C@@H](O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CSCC#N 1110300499 AWNWSMJHIXBDHD-XQHKEYJVSA-N 313.423 -0.028 30 20 DBED C[C@@]1(NC(=O)Cn2ncnn2)CCN(c2cncc(C#N)n2)C1 1110786060 MLNWSJYAVWDTCP-CYBMUJFWSA-N 313.325 -0.880 30 20 DBED CCO[C@@H]1C[C@@H]1C(=O)N(CCO)CCN=c1cc[nH]c(C#N)n1 1111425363 GQJRZABLZZTAIV-NWDGAFQWSA-N 319.365 -0.572 30 20 DBED Cn1cc(C(=O)N(CCO)CCNc2ccc(C#N)nn2)nn1 1111460776 MSPNPANPFOURNZ-UHFFFAOYSA-N 316.325 -0.977 30 20 DBED CC(=O)NCC(=O)NC[C@@H]1COCCN1c1ccc(C#N)nc1 1111649958 YUAUUXQTCFOILD-CQSZACIVSA-N 317.349 -0.589 30 20 DBED C[C@@H]1C[C@H](NC(=O)CNC(N)=O)CCN1c1cncc(C#N)n1 1112457009 GRWSYGGACAQFCZ-NXEZZACHSA-N 317.353 -0.510 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)c2cc(CC)[nH]n2)CC1 1112620571 GOMYTSDKTARWCS-GFCCVEGCSA-N 317.393 -0.132 30 20 DBED C[C@@H](N=c1cc[nH]c(C#N)n1)[C@@H](C)NC(=O)c1nccnc1N 1112937992 LLCKPEBHOYNEGG-RKDXNWHRSA-N 312.337 -0.239 30 20 DBED COCC#CCN1CCN(C(=O)[C@H]2CCCS2(=O)=O)CC1 1113659712 BVWQANTVYRYRDO-CYBMUJFWSA-N 314.407 -0.642 30 20 DBED C[C@H](CNC(=O)[C@H]1CN(C)C(=O)N1)N(C)c1nccnc1C#N 1113802044 GLDJUGBAINMZNX-MWLCHTKSSA-N 317.353 -0.687 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1[C@@H]2CN(CCN(C)S(C)(=O)=O)C[C@@H]21 1114066532 DLWHODATAPQOKF-WYUUTHIRSA-N 314.411 -0.916 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)Cc3cc(C)[nH]n3)[C@@H]2C1 1114118464 ZAAHKMWMIHWARO-CHWSQXEVSA-N 317.393 -0.391 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)[C@H](C3CC3)N(C)C)[C@@H]2C1 1114410375 UVWNMMYPWCDINH-IOASZLSFSA-N 318.421 -0.878 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3cocc3C)[C@H]2C1 1114683992 YUTPLNMVJXKTPM-RYUDHWBXSA-N 301.346 -0.003 30 20 DBED CC#CCCCC(=O)N[C@H]1[C@@H]2CN([C@H](C)C(=O)NC(N)=O)C[C@@H]21 1114710292 BBDZPCSYZZZSFD-NMKXLXIOSA-N 320.393 -0.190 30 20 DBED C=CCC1(C(=O)NC2[C@H]3CN(CC(N)=O)C[C@H]23)CCOCC1 1115182447 LPCODONNIDPPEP-RYUDHWBXSA-N 307.394 -0.109 30 20 DBED CN(C(=O)CC(N)=O)[C@H](CN=c1cc[nH]c(C#N)n1)C1CC1 1115486166 FXQDLGMTGHQDLZ-SNVBAGLBSA-N 302.338 -0.706 30 20 DBED CNC(=O)CNC(=S)NN=Cc1ccc([S@](C)=O)cc1 1116202705 PQYONEXQQISTDJ-FQEVSTJZSA-N 312.420 -0.032 30 20 DBED N#Cc1ccnc(N2CCN3C(=O)NC(=O)[C@@H]3C2)c1[N+](=O)[O-] 1116495591 YPVZIQDRGMQAEX-QMMMGPOBSA-N 302.250 -0.398 30 20 DBED CCN(C)C(=O)CNC(=O)NCCN/C(O)=C1/N=CC=CC1=O 1116655161 OZSVVARSDQMJIP-SEYXRHQNSA-N 323.353 -0.710 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)NCCOc2ccccc2)CCO1 1116984389 RXXYFZKQOLKCHP-ZDUSSCGKSA-N 303.318 -0.067 30 20 DBED CC#CCCNC(=O)C(=O)N[C@H]1CCC[C@H](S(C)(=O)=O)C1 1117470766 SIRKUFLCFACWLL-RYUDHWBXSA-N 314.407 -0.012 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N1CCC[C@H](n2ccnn2)C1 1118176395 OODYUIOFXNLBCC-RYUDHWBXSA-N 307.354 -0.241 30 20 DBED C#CCSCCNC(=O)C(=O)N[C@H](C)c1nnnn1C1CC1 1119135384 KNNQTPCLJYTGCO-SECBINFHSA-N 322.394 -0.332 30 20 DBED CC(C)(CC#N)CNC(=O)C(=O)N1CC(N2CCCC2=O)C1 1119878148 GJZLPCIBANTZSC-UHFFFAOYSA-N 306.366 -0.124 30 20 DBED C[C@@H](CN(C)C(=O)c1cn(C)c(O)n1)N=c1cc[nH]c(C#N)n1 1120569182 RHBBTNLOGXKLQJ-VIFPVBQESA-N 315.337 -0.218 30 20 DBED CCc1nc(C#N)cc(N[C@@H](CO)CNC(=O)[C@@H]2CCOC2)n1 1121171400 HKOJPGWGDMYPQU-ZYHUDNBSSA-N 319.365 -0.164 30 20 DBED CCNC(=O)CCC(=O)NC[C@@H](CO)N=c1cc[nH]cc1C#N 1121205025 KPERJCPLOYUKJQ-LBPRGKRZSA-N 319.365 -0.820 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](CO)Nc1ncnc2c1ncn2C 1121211923 ASZJZXCDFJINKS-RKDXNWHRSA-N 303.326 -0.588 30 20 DBED C=CCn1c([C@H]2CNC(=O)C2)nnc1N1CCN(C)C(=O)[C@H]1C 1121283430 QCUWVGHMMKDEKL-GHMZBOCLSA-N 318.381 -0.266 30 20 DBED Cc1nnc(CC(=O)NC[C@H](CO)N=c2cc[nH]cc2C#N)o1 1121432618 OHGADHWDNRSBNL-LLVKDONJSA-N 316.321 -0.802 30 20 DBED Cc1nc(N[C@@H](CO)CNC(=O)Cn2cncn2)ccc1C#N 1121537472 YGBPGAFWCCVAGH-GFCCVEGCSA-N 315.337 -0.558 30 20 DBED Cc1nccc(C(=O)NC[C@@H](CO)Nc2nccnc2C#N)n1 1121657285 ACHUJNQVVZXWOS-JTQLQIEISA-N 313.321 -0.351 30 20 DBED CCOCCOCC(=O)NC[C@@H](CO)Nc1nccnc1C#N 1121678780 VVWXTRCJBMOPMA-NSHDSACASA-N 323.353 -0.710 30 20 DBED Cc1nc[nH]c1C(=O)NC[C@H](CO)Nc1cncc(C#N)n1 1121724612 RRMUXRWAPGJOHT-SNVBAGLBSA-N 301.310 -0.417 30 20 DBED N#Cc1nc(=N[C@@H](CO)CNC(=O)c2ncccc2F)cc[nH]1 1121893325 MXHMPIDANDZYTA-SECBINFHSA-N 316.296 -0.493 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)c2cnnc(O)c2)nn1 1122158321 MVOAEXRVJOJXGS-JTQLQIEISA-N 315.293 -0.953 30 20 DBED Cc1nn[nH]c1C(=O)NC[C@@H](CO)Nc1ncccc1C#N 1122384353 BQUQPTZHCGHDTN-JTQLQIEISA-N 301.310 -0.417 30 20 DBED C[C@@H]1C[C@H](Nc2cnc(C#N)cn2)CN1C(=O)CCNC(N)=O 1123232588 RDLMCEAEJXAIRG-ZJUUUORDSA-N 317.353 -0.192 30 20 DBED COC(=O)c1cnc(NC[C@@H](O)CN(C)C(=O)[C@H](C)C#N)nc1 1124190170 DQQDJUOASRBQDN-MWLCHTKSSA-N 321.337 -0.346 30 20 DBED Cc1nc(N(C)C[C@@H](O)CN(C)C(=O)CC(N)=O)ccc1C#N 1125024425 ROFLQTFOTADVKV-GFCCVEGCSA-N 319.365 -0.607 30 20 DBED CCOCCNC(=O)CNCCNC(=O)c1ccc(C#N)[nH]1 1125776063 GBTPJTVTSNULMH-UHFFFAOYSA-N 307.354 -0.642 30 20 DBED C#CCO[C@H](C)C(=O)NCCNC[C@@H](C)CS(C)(=O)=O 1127051238 DIQXKINKPFENGL-VXGBXAGGSA-N 304.412 -0.589 30 20 DBED C#CCO[C@H](C)C(=O)NCCNCCCS(=O)(=O)C(C)C 1127051283 FIFZEOHOPWUICM-CYBMUJFWSA-N 318.439 -0.056 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1cccc2nn[nH]c12 1128055858 RADCYNWAVLUFPU-UHFFFAOYSA-N 302.338 -0.421 30 20 DBED N#CCN1CCn2ncc(CNC(=O)C[C@H]3CCC(=O)N3)c2C1 1128521832 SDJFTKZNXUNKFH-GFCCVEGCSA-N 316.365 -0.493 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1cnn2ncccc12 1129582771 IEJZPHYTBDQKND-UHFFFAOYSA-N 302.338 -0.649 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1ccnc(C2CC2)c1 1130877064 JPFTZDACJQQYSJ-UHFFFAOYSA-N 301.350 -0.082 30 20 DBED C#CCN1CC[C@@]2(C1)CN(C(=O)C(=O)NCC1CC1)C[C@H](C)O2 1131692595 JINOOPXOJDYWIE-SUMWQHHRSA-N 319.405 -0.162 30 20 DBED CN1C[C@H](C(=O)NCCNCc2ccc(C#N)s2)NC1=O 1132382516 LHSMZPFGFMOSGH-LLVKDONJSA-N 307.379 -0.151 30 20 DBED CC#CCCCC(=O)NCCNCc1nc(CC(=O)NC)no1 1132592853 FTTHHKMDGPBGQN-UHFFFAOYSA-N 321.381 -0.243 30 20 DBED COCC#CCNC[C@H]1CN(C(=O)c2nnn(C)n2)CC[C@H]1C 1133034491 DMSGKMHTHXMFIO-OLZOCXBDSA-N 320.397 -0.452 30 20 DBED C[C@H]1CCN(C(=O)CN2CCC(=O)NC2=O)C[C@@H]1CNCC#N 1133234630 UWZHGTPUFDFBOQ-RYUDHWBXSA-N 321.381 -0.474 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)C[C@H](C)NCc1cnon1 1134131117 QSAPCVWYXQFNOU-WDEREUQCSA-N 307.354 -0.418 30 20 DBED C=CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)c1ncn(C)n1 1134303199 PIVVIEKETNDMBS-GHMZBOCLSA-N 308.386 -0.396 30 20 DBED C[C@H](C[C@@H](C)NC(=O)CN1CCCS1(=O)=O)NCC#N 1134552787 GKQKZTPDBKPJIS-GHMZBOCLSA-N 302.400 -0.582 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1ccnc(N(C)C)c1 1134596314 DMNVHTKXHYLKAG-UHFFFAOYSA-N 305.382 -0.231 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)c1cc(C(N)=O)c[nH]1 1135826716 YDOGZBJYRKEDTE-VIFPVBQESA-N 307.354 -0.876 30 20 DBED C#CCCN[C@@H](C)C[C@H](C)NC(=O)c1cn(C)c(=O)nc1O 1146314562 NDNUMOMWSLYSAR-QWRGUYRKSA-N 306.366 -0.004 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1c[nH]c2cccnc12 1147928260 IRLASXXBYMIFKI-UHFFFAOYSA-N 300.322 -0.478 30 20 DBED CN(C)S(=O)(=O)CC(=O)NCCNCc1ccc(C#N)cc1 1149433507 WOKVSROCXNKFCQ-UHFFFAOYSA-N 324.406 -0.345 30 20 DBED C=CCNC(=O)CN1CCCO[C@H](CNC(=O)c2ncc[nH]2)C1 1149672604 FWWXVWGBWYEBPX-GFCCVEGCSA-N 321.381 -0.467 30 20 DBED C#CCCN1CCCO[C@@H](CNC(=O)C[C@H]2CCC(=O)N2)C1 1150436753 WRQUMHOPQZCIOB-KGLIPLIRSA-N 307.394 -0.115 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)C[C@@H]1CCNC1=O 1159809917 WKVLJZAXAPYQTF-RYUDHWBXSA-N 310.398 -0.701 30 20 DBED C#CCNCCN(CCc1ccccc1)C(=O)CNC(N)=O 1162689072 XPMZXRRBJZDHSJ-UHFFFAOYSA-N 302.378 -0.051 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)[C@@]1(F)CCOC1 1164563674 RDXVMJIIIQZRML-SMDDNHRTSA-N 301.362 -0.098 30 20 DBED C#CCNC(=O)CNCC1(CCNC(=O)c2[nH]nnc2C)CC1 1166519378 OWEZUTFVAGCEMC-UHFFFAOYSA-N 318.381 -0.648 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)CCCN(C)C(C)=O 1174795477 NZUYUJMIBJFVCP-ZDUSSCGKSA-N 324.425 -0.521 30 20 DBED CCN1CCCC[C@H]1C(=O)NCCCNCC(=O)NCC#N 1176986224 IAJHRIZZRFPJOD-ZDUSSCGKSA-N 309.414 -0.404 30 20 DBED C#CCNCCCCCCNC(=O)CC[C@H]1NC(=O)NC1=O 1180224334 WELWBSPMGZKKLQ-GFCCVEGCSA-N 308.382 -0.126 30 20 DBED COCC#CCN[C@H]1CCN(C(=O)c2cn(C)c(=O)n2C)[C@H]1C 1180231299 YULGHEBDMQUNHB-STQMWFEESA-N 320.393 -0.434 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CCCOCC2)C1 1182203953 JCBKVLBIONBSQL-ZIAGYGMSSA-N 307.394 -0.257 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)C(=O)Nc2cc(C)on2)C1 1187788661 KIVFDGHCQNUSBT-GFCCVEGCSA-N 320.349 -0.238 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)[C@@H]2CCCOC2)C1 1189301122 QLZKUTJHBCGZAW-KGLIPLIRSA-N 307.394 -0.305 30 20 DBED CN(CC(=O)NC(N)=O)[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 1189564356 AWZHAMXHTFEUKZ-JTQLQIEISA-N 318.337 -0.772 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)Cc2cccnc2)C1 1189663491 FFWPVJRIJRYBEO-HNNXBMFYSA-N 314.389 -0.094 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2ccc(F)cc2)C1 1190658760 DFQKTPQPUXAZHL-ZIAGYGMSSA-N 319.336 -0.650 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)CCSC)C1 1190929989 HTZGSSFKXQWKAV-QJPTWQEYSA-N 313.423 -0.961 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@H]1CCN(C(=O)c2cncn2C)C1 1191177954 NSARETHZKUXORV-OLZOCXBDSA-N 317.393 -0.296 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2ccc(F)nc2)C1 1191822143 AHSFJYWJALWIKT-VXGBXAGGSA-N 322.340 -0.702 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)/C=C/C2CC2)C1 1192070652 OCBYAJGHPBBPOG-KEQXITEKSA-N 305.378 -0.748 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(CCc2ccnn2C)C[C@H]1O 1192761401 ICVOQDJPWKRLQG-HUUCEWRRSA-N 304.394 -0.217 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)Cc2cnn(C)c2C)C1 1193628773 BSSBWTZPVXKOTG-HUUCEWRRSA-N 322.409 -0.365 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)[C@@H](C)C2CC2)CCCO1 1200189994 MKMAOHAHCTXVJS-DZGCQCFKSA-N 321.421 -0.011 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)[C@H]2CCCNC2=O)CCCO1 1200738602 XSBBCESDZVHFOR-KGLIPLIRSA-N 307.394 -0.257 30 20 DBED CN1C(=O)CC[C@@H]1CC(=O)N1CCCO[C@@H](CNCC#N)C1 1201128485 IECZODXOOKSOLP-OLZOCXBDSA-N 308.382 -0.272 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)c2ccnnc2)CC1 1202644331 XOEQLVZZLOAIRY-UHFFFAOYSA-N 303.366 -0.027 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1 1207857457 ZGMZIZLWMICXMM-ZDUSSCGKSA-N 313.361 -0.170 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)C1(S(C)(=O)=O)CCC1 1213652168 QEGKXCQSNLSDKJ-GHMZBOCLSA-N 315.395 -0.707 30 20 DBED C[C@@H]1CN(C(=O)CNC(=O)c2ccncc2)C[C@H]1NCC#N 1214686124 JFBNEVKFECXEMU-DGCLKSJQSA-N 301.350 -0.229 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)CCCCNC(N)=O)C[C@H]1C 1215087849 AXMLXGGUOLGPQJ-ZIAGYGMSSA-N 324.425 -0.089 30 20 DBED C=CCCN[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)N2)C[C@H]1C 1216766566 FWWDFVHRSAPIPM-GRYCIOLGSA-N 301.412 -0.309 30 20 DBED C[C@H](CC(F)F)C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@@H]1O 1220027583 JALJAOSLSHANRQ-BBBLOLIVSA-N 318.324 -0.921 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)CCCCN(C)C)C1 1220807278 TWHMSODBRZOGHL-CABCVRRESA-N 311.426 -0.471 30 20 DBED C=CCO[C@H](C)C(=O)N1CCC[C@H](NCc2nc(=O)n(C)[nH]2)C1 1222067993 OKVDIWLMGXEWDN-NEPJUHHUSA-N 323.397 -0.220 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)CCC(=O)NCC)CC1 1226555604 YOJFKZFUNIZYBW-UHFFFAOYSA-N 324.425 -0.215 30 20 DBED C[C@@H](C#N)C(=O)NC1CCN(C[C@H](O)CN2CCCC2=O)CC1 1226640882 QWNMFZVGCXWKCZ-JSGCOSHPSA-N 322.409 -0.290 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)c2ncccn2)CC1 1229686638 WKKSOUKUUWEFAR-UHFFFAOYSA-N 303.366 -0.027 30 20 DBED C#CCN1CCS(=O)(=O)[C@@H](CCNC(=O)CCOC)C1 1230398950 MDTUSDULFLWFEL-LBPRGKRZSA-N 302.396 -0.739 30 20 DBED N#CCN1CCS(=O)(=O)[C@@H](CCNC(=O)[C@H]2CCCO2)C1 1230416840 SITNFNSRSQNRHJ-NWDGAFQWSA-N 315.395 -0.706 30 20 DBED C#CCNC(=O)CC(=O)N1CCC([C@H]2CCCN2CCO)CC1 1230552650 RPPVMDIQMXHOPQ-OAHLLOKOSA-N 321.421 -0.179 30 20 DBED CO[C@H](C)CS(=O)(=O)NCCN/C(O)=C1/N=CC=CC1=O 1256167611 JVEYCIWWUOIUPK-NPAAXYOMSA-N 317.367 -0.533 30 20 DBED C=CCN(CC(=O)OCC)CC(=O)N1CCC(C(N)=O)CC1 1318055035 ZEBQIRCNIZUPSC-UHFFFAOYSA-N 311.382 -0.239 30 20 DBED CN(Cc1cccc(C(N)=O)c1)C(=O)NCC(=O)NCC#N 1323174286 LBPWGPFLQRJGOX-UHFFFAOYSA-N 303.322 -0.433 30 20 DBED C#CC[C@H](CO)NC(=O)[C@H](C)S(=O)(=O)C1CCOCC1 1326345239 YMTSDOIQUMBHLD-WDEREUQCSA-N 303.380 -0.531 30 20 DBED N#C[C@@]1(F)CCN(C(=O)C(=O)N[C@H]2CCc3c[nH]nc3C2)C1 1326641602 FPYXCYYWIMKSKM-HZMBPMFUSA-N 305.313 -0.153 30 20 DBED C#CCOCCNC(=O)C(=O)N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1329098701 JFDYKRXTGXHNIZ-VHSXEESVSA-N 322.283 -0.069 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N[C@H]1CC(=O)N(C(C)C)C1 1331207433 KHJFLVOBKZEZLP-STQMWFEESA-N 323.393 -0.344 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCC([C@@H](O)C(=O)OC)CC1 1331911420 RSLKUQOKLUPCNS-UONOGXRCSA-N 308.378 -0.144 30 20 DBED C=C(C)Cn1nnnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1340232205 IURCDEPGMVEGFZ-SNVBAGLBSA-N 300.388 -0.233 30 20 DBED COC(=O)[C@H](C)CNC(=O)C(=O)Nc1cc(C)n(CCC#N)n1 1341494536 VKOHGTYCZPYQIP-SECBINFHSA-N 321.337 -0.031 30 20 DBED C=CCn1c([C@H](C)CO)nnc1N1C[C@H]2C(=O)N(C)C(=O)[C@H]2C1 1342299662 QDRZBIRSPPFOLX-MXWKQRLJSA-N 319.365 -0.389 30 20 DBED C=C(C)COCCNC(=O)C(=O)N1CCO[C@@H](COC)C1 1343168588 IGDQRGNNCRHEFE-GFCCVEGCSA-N 300.355 -0.431 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)NC[C@@]1(N(C)C)CCSC1 1345067536 RIQOHRIPHALLTQ-FZMZJTMJSA-N 315.439 -0.143 30 20 DBED C#CCOCCNC(=O)C(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 1346544526 UWSAKKHHBZKGLA-ZIAGYGMSSA-N 309.410 -0.011 30 20 DBED CC[C@@H]1OCC[C@H]1NC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1349091963 VJGUIMSQZFORGH-MCIONIFRSA-N 320.393 -0.131 30 20 DBED N#Cc1cn(CCC(=O)NCC(=O)OCC2CC2)c(=O)nc1O 1361885019 YBLSSWRHUJJUTJ-UHFFFAOYSA-N 320.305 -0.720 30 20 DBED N#Cc1ccncc1C(=O)N1CCS(=O)(=O)[C@@H]2COCC[C@@H]21 1363250112 PZMQWMLUVVWIDS-QWHCGFSZSA-N 321.358 -0.019 30 20 DBED C[C@H]1COC[C@H]1NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1363616820 UMBKYFKXUOSJNB-GXFFZTMASA-N 323.374 -0.012 30 20 DBED CCCn1cc(C(=O)NCCn2cc(C#N)c(O)nc2=O)cn1 1364109355 QWPPXZCZUVMKJE-UHFFFAOYSA-N 316.321 -0.143 30 20 DBED CCOC(=O)CCC(=O)Cn1c(=O)c(C#N)c(C)n(C)c1=O 1364614865 QGPCDAJPOULUDF-UHFFFAOYSA-N 307.306 -0.361 30 20 DBED CC[C@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)c1cnn[nH]1 1375039239 PJNMMGWUKFNLHO-SECBINFHSA-N 301.310 -0.057 30 20 DBED C=C(Cl)CN1CC[C@@H](NC(=O)CCCS(N)(=O)=O)C1 1405091589 CHWGOJYVUNENSC-SNVBAGLBSA-N 309.819 -0.002 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CCc3nncn3C2)C1 1407820167 GLTADWYZRPSMCV-WRWGMCAJSA-N 316.365 -0.236 30 20 DBED CC[C@H](CNC(=O)c1nc2ncccn2n1)NC(=O)[C@H](C)C#N 1409412259 VHXIYCSPGNVUFN-NXEZZACHSA-N 315.337 -0.091 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)CCc2cn[nH]c2)C1 1413970445 OSBQWCXWGCMZBK-MVWJERBFSA-N 305.338 -0.810 30 20 DBED C[C@@H](C(=O)N[C@@H](CC(N)=O)C1CCOCC1)n1cnc(C#N)n1 1416148291 SAASVMPSBBWZSH-ONGXEEELSA-N 320.353 -0.502 30 20 DBED N#Cc1c[nH]c(C(=O)NC2(CNC(=O)[C@H]3CCC(=O)N3)CC2)c1 1417117032 DBXBDUWOQXQKJL-SNVBAGLBSA-N 315.333 -0.456 30 20 DBED C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCNC(=O)C1 1417460010 MOWNBMGIUNDDKS-SECBINFHSA-N 324.772 -0.082 30 20 DBED N#Cc1cccc(CNC[C@@H](O)CNC(=O)[C@H]2COC(=O)N2)c1 1420111784 NCWGPXJJCIXOOS-CHWSQXEVSA-N 318.333 -0.767 30 20 DBED C=C(Cl)CN(C)C[C@H](C)NC(=O)CNC(=O)CNC(C)=O 1422855066 JRORZKMYHXWQGQ-JTQLQIEISA-N 318.805 -0.572 30 20 DBED C[C@H](C#N)C(=O)N1CCC(NC(=O)CCn2cncn2)CC1 1427574004 PQXJOJABGZJKTN-LLVKDONJSA-N 304.354 -0.065 30 20 DBED COC[C@@H](OC)C(=O)N1CC2(CCN(C(=O)[C@@H](C)C#N)C2)C1 1428606727 RRYLKKNPAJGOGQ-NWDGAFQWSA-N 309.366 -0.132 30 20 DBED CC[C@@H](CNC(=O)CNC(C)=O)NC(=O)c1c[nH]c(C#N)c1 1430506214 SXUSBBZQWGYYHS-NSHDSACASA-N 305.338 -0.353 30 20 DBED COC(=O)NCC(=O)NCC1(NC(=O)c2cc(C#N)c[nH]2)CC1 1432161819 VKUSRSIUMFHYMT-UHFFFAOYSA-N 319.321 -0.379 30 20 DBED COC(=O)NCC(=O)NCC1CN(C(=O)c2c[nH]c(C#N)c2)C1 1432378067 PXHUNBQRKDTXSJ-UHFFFAOYSA-N 319.321 -0.569 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@@H](CNC(=O)[C@H]2CCCC(=O)N2)C1 1452942456 OEPFVFXLAGGCPD-NNYUYHANSA-N 306.366 -0.174 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C)C(=O)Cn1cc(C2CC2)nn1 1455431706 GKLXWYZIFHXQNY-JTQLQIEISA-N 304.354 -0.110 30 20 DBED C[C@@H](C#N)C(=O)N(C)C1CCN(C(=O)[C@@H]2CCC(=O)N2)CC1 1487565956 FPJRQWHOZCKHPM-JQWIXIFHSA-N 306.366 -0.126 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CCN(C(=O)c2ccc(O)nn2)C1 1495131305 NGGMZLXGZYBRCQ-NXEZZACHSA-N 303.322 -0.080 30 20 DBED COCCNC(=O)C1(NC(=O)C2CC3(CNC[C@H]3C#N)C2)CC1 1579037136 GXGDJKKZYAKGHW-MQYJIDSJSA-N 320.393 -0.463 30 20 DBED C#CC[C@H](NC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O)C(=O)O 1588404659 FEFCXMBPDQVKTJ-LKFCYVNXSA-N 307.306 -0.700 30 20 DBED C#CCN(CC(=O)O)C(=O)c1cc(S(=O)(=O)NC)oc1C 1588416282 LLBXHCZAKCJEKB-UHFFFAOYSA-N 314.319 -0.344 30 20 DBED C#CCN(CC(=O)O)c1nnc(-c2nnn(C)c2C)n1CC 1588427070 LIYSDTZBQDEGGS-UHFFFAOYSA-N 303.326 -0.074 30 20 DBED C#CCCNC1CCN(CCNC(=O)[C@H]2C[C@H]2C(=O)O)CC1 1588453720 OWUJEZJWLIGWNM-UONOGXRCSA-N 307.394 -0.099 30 20 DBED C=C(CCC(=O)O)C(=O)N[C@H](C)C(=O)N[C@@H](C)C(=O)OCC 1588619121 LLCFSLBDTLHQHC-ZJUUUORDSA-N 314.338 -0.020 30 20 DBED C=CCOC[C@@H](NC(=O)C[C@@H]1CCCS1(=O)=O)C(=O)O 1588854286 UQNUOPJONPHBKI-VHSXEESVSA-N 305.352 -0.274 30 20 DBED N#Cc1nc(NC[C@H]2CSCCN2)cnc1-c1nn[nH]n1 1592707750 ABCPNEMNSBRSJK-ZETCQYMHSA-N 303.355 -0.355 30 20 DBED CCC[C@@H](C(=O)N1CCC(C#N)(C(=O)O)CC1)S(N)(=O)=O 1595533494 XWMQTGOATLUHMB-VIFPVBQESA-N 317.367 -0.339 30 20 DBED C[C@H]1CN(S(=O)(=O)c2cncc(C#N)c2)C[C@@H](C(=O)O)O1 1599932371 OQHXAJKGELYETH-KWQFWETISA-N 311.319 -0.184 30 20 DBED N#Cc1cnn2c(O)cc(COC(=O)COCC(=O)O)nc12 1601130692 JWPWTVKONYWJRS-UHFFFAOYSA-N 306.234 -0.549 30 20 DBED C#CCN(CC(=O)O)c1nnc([C@@H]2CNC(=O)C2)n1CC1CC1 1602701074 UTPZSGLAKAMFOZ-NSHDSACASA-N 317.349 -0.184 30 20 DBED N#Cc1cn(CCC(=O)N2CC[C@@](F)(C(=O)O)C2)c(=O)nc1O 1608223452 VPOGQGRYRFPBOE-ZDUSSCGKSA-N 324.268 -0.764 30 20 DBED N#Cc1ccsc1NC(=O)C(=O)N1CCC(O)(C(=O)O)CC1 1610633934 WVOKRXAGMCRIEY-UHFFFAOYSA-N 323.330 -0.004 30 20 DBED N#Cc1ccc(CNC(=O)c2cnn(C[C@H](O)CO)c2)nc1 1645987221 AWPGKDVMSCWVJE-ZDUSSCGKSA-N 301.306 -0.567 30 20 DBED C=CCCOCC(=O)N[C@H]1CCN(C(=O)c2nnn(C)n2)[C@@H]1C 1740081514 NXHXWXBGTBTNIZ-MNOVXSKESA-N 322.369 -0.478 30 20 DBED C[C@H](NCC(=O)NCC#N)C1CCN(C(=O)[C@@H]2CCOC2)CC1 1753271953 ZMLFUEXMZWBEED-GXTWGEPZSA-N 322.409 -0.121 30 20 DBED Cc1c(CC(=O)N(C)CCN2CCN(CC#N)CC2)cnn1C 1753341840 DQTLNEAHTZFSRY-UHFFFAOYSA-N 318.425 -0.129 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(Cc2cnnn2C)CCO1 1753659674 ZJFISMWEBDALNE-ZDUSSCGKSA-N 309.370 -0.665 30 20 DBED C=CCOCC(=O)N1CCC2(CC1)CN(CC(=O)NCC#N)C2 1753672854 OISRJOBOQXWBPL-UHFFFAOYSA-N 320.393 -0.247 30 20 DBED C#Cc1ccc(C(=O)NC[C@H](O)CNCC(=O)NCCC)nc1 1753934222 UCJPVUDKWNRFOL-CYBMUJFWSA-N 318.377 -0.731 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC(N(C)C(=O)CCc2ccon2)C1 1754578040 RPOYFYKXCPFXBY-GFCCVEGCSA-N 318.377 -0.112 30 20 DBED C=CCCOCC(=O)N1CCN([C@@H]2CCN(CCO)C2)CC1 1754663836 AABAGHPGWSUPPU-OAHLLOKOSA-N 311.426 -0.210 30 20 DBED C#CCNCC[C@@H]1CCN(C(=O)CN(C)S(C)(=O)=O)C1 1754916746 BMUBYJDKGIFBOK-GFCCVEGCSA-N 301.412 -0.661 30 20 DBED C#CCCN1CCOC[C@@H]1CNC(=O)[C@@H](C)CN1CCOCC1 1754975171 UVPBOVMHJBRKGK-HOTGVXAUSA-N 323.437 -0.205 30 20 DBED C#CCN1CC2(CC[C@H](CNC(=O)[C@@]3(C)CCC(=O)NC3)O2)C1 1755056192 XKYWTSWPVACJTL-CJNGLKHVSA-N 319.405 -0.115 30 20 DBED CCC(=O)N[C@H](C)C(=O)NCC1[C@@H]2CN(CC#CCOC)C[C@@H]12 1755424589 ZYMQYYPMJQJRIT-SNPRPXQTSA-N 321.421 -0.155 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(CNC(=O)c3ccnnc3)[C@@H]2C1 1755431748 LZDNGDOMMUYRNN-KBPBESRZSA-N 315.377 -0.314 30 20 DBED C=CCCC(=O)N1CCO[C@@H]([C@H](C)NCc2nnnn2C)C1 1755438183 GZPLSRGVVCNYBV-NWDGAFQWSA-N 308.386 -0.118 30 20 DBED C#CCCN[C@@H]1CCN(C(=O)CCc2nnc(O)nc2O)[C@H]1C 1755656562 PYSXOAKCLLXKSW-WDEREUQCSA-N 319.365 -0.182 30 20 DBED CN(C[C@@H](O)CNCC#N)C(=O)c1ccnn1CC(F)(F)F 1755781319 DFTLULPWIBYDIE-VIFPVBQESA-N 319.287 -0.009 30 20 DBED CC#CCNCCOCCN(C)C(=O)c1ccc(C(N)=O)nc1 1755879101 YJJLUCOTCGFWSM-UHFFFAOYSA-N 318.377 -0.118 30 20 DBED C#CCCCC(=O)N[C@@H](C)[C@H](C)NC(=O)CN1C(=O)CNC1=O 1755964211 IPQGXZXGZNBMFO-QWRGUYRKSA-N 322.365 -0.649 30 20 DBED CC(C)C#CC(=O)N(C)C[C@@H](C)NC(=O)Cn1cnnc1O 1756448944 CKOIWOUJAOJBHL-LLVKDONJSA-N 307.354 -0.394 30 20 DBED C#CCC1(C(=O)NC[C@H](CO)NC(=O)C(N)=O)CCCCC1 1756532059 PBAGHAOMPYPOAZ-LLVKDONJSA-N 309.366 -0.961 30 20 DBED C=CCOCC(=O)NCC1=CCN(C(=O)[C@@H]2COC(=O)N2)CC1 1756762287 YJTMGCBQBNEKSW-LBPRGKRZSA-N 323.349 -0.428 30 20 DBED C=C1CC(C)(C(=O)N2C[C@@H](O)[C@H](NC(=O)C(C)(C)C(N)=O)C2)C1 1757007571 OHLAQMYCRIQFHC-GHMZBOCLSA-N 323.393 -0.458 30 20 DBED N#CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1CNC(=O)O1)C2 1795459725 PBLZRSQVKBSMEU-VLEAKVRGSA-N 306.322 -0.353 30 20 DBED CC[C@@H](C)[C@H](O)C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1841638022 KVKHAXMEOXDRPZ-RISCZKNCSA-N 322.361 -0.315 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)[C@@H]2C=CCN2)C1 1843331876 QFFANWVEGVQQCS-KBPBESRZSA-N 317.389 -0.244 30 20 DBED COC(=O)NCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C#CC1CC1 1847746457 YSCLDNWNSBVKQY-STQMWFEESA-N 319.361 -0.042 30 20 DBED CC(C)Cn1c(N)c(C(=O)Cn2cnnc2C#N)c(=O)[nH]c1=O 54747022 WSOBNHFFHDAFRY-UHFFFAOYSA-N 317.309 -0.879 30 20 DBED CC[C@@H](C#N)NC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 102354105 GFGNJFAWKYTJTJ-QMMMGPOBSA-N 301.306 -0.336 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 162723808 ZMUYIMICBODKMO-KGLIPLIRSA-N 308.426 -0.085 30 20 DBED C=CCN(CCC(=O)N1CCNCC1)[C@H]1CCS(=O)(=O)C1 261955431 ACWDXXHEWYREJP-ZDUSSCGKSA-N 315.439 -0.517 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N(CC)CCS(C)(=O)=O 269967633 PCXXGBPOBNKSIT-SNVBAGLBSA-N 305.400 -0.247 30 20 DBED CCOC(=O)C(=O)N1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 272331629 NPVMBRMUWSRDFZ-UHFFFAOYSA-N 304.306 -0.266 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N1CCNC(=O)[C@H]1C(C)C 272904553 ZJDSJSCKIZHFFK-LLVKDONJSA-N 317.411 -0.247 30 20 DBED COC(=O)COCC(=O)N1CCN(c2ccc(C#N)cn2)CC1 287574176 QLLUXNDVEVCQMT-UHFFFAOYSA-N 318.333 -0.209 30 20 DBED N#Cc1ccc2c(c1)N(C(=O)C(=O)N1CCOC[C@@H](O)C1)CC2 296279141 HHDUFTWIGZKDKZ-ZDUSSCGKSA-N 315.329 -0.333 30 20 DBED O=C1[C@H]2CCCC[C@H]2C(=O)N1C/C(O)=N/CCn1ncnn1 328717485 FJCNFNDHIAYSMD-AOOOYVTPSA-N 306.326 -0.195 30 20 DBED COCCN1CCN(/C(O)=N/[C@H]2CCCS(=O)(=O)C2)CC1 329803844 ZUHBSAKMQLBDKZ-LBPRGKRZSA-N 319.427 -0.258 30 20 DBED Cn1c(N2CCO[C@@H](C(=O)C3CC3)C2)c(C#N)c(=O)n(C)c1=O 330016000 OXTOQBDYERARBY-LLVKDONJSA-N 318.333 -0.860 30 20 DBED CC[C@H](N/C(O)=N/CCNS(=O)(=O)N(C)C)[C@@H]1CCCO1 331360654 YBXXRGRJKUIWQE-QWRGUYRKSA-N 322.431 -0.156 30 20 DBED C[C@@](C#N)(NC(=O)CN1CCC[C@@H](S(N)(=O)=O)C1)C1CC1 331918768 UYCSHOKVMWNTAM-YPMHNXCESA-N 314.411 -0.452 30 20 DBED CCO[C@@H]1C[C@@H](NC(=O)Cn2cnc(C#N)n2)[C@]12CCCO2 332897501 KKVOLBPIQWEWMI-JTNHKYCSSA-N 305.338 -0.007 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N2CC[C@@H](N3CC=CC3)C2)CCO1 337095080 PSXOVECBEDBJLN-CHWSQXEVSA-N 312.395 -0.598 30 20 DBED C=CCN1CCC(NC(=O)C(=O)N2CCC[C@@H](CO)C2)CC1 339308536 YGCNLRCJMXLLBU-CYBMUJFWSA-N 309.410 -0.016 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N1[C@H](CO)CC[C@H]1CO 344925580 XNOKRDHKGAYGNT-WOPDTQHZSA-N 305.400 -0.470 30 20 DBED CN1CCC(O)(CNS(=O)(=O)c2cccnc2C#N)CC1 397495625 DJPFHNDQRWQTEN-UHFFFAOYSA-N 310.379 -0.312 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N(C)[C@@H]1CCS(=O)(=O)C1 407976815 VNZURPRXAKVCEF-NXEZZACHSA-N 309.413 -0.416 30 20 DBED CN[C@@H]1CCN(C(=O)C(=O)NCCOc2ccc(C#N)cc2)C1 419467575 STXZXKCJUBORIM-CYBMUJFWSA-N 316.361 -0.126 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2cncc(O)c2)CC1 491209654 JZFNHVLKFKJVLA-UHFFFAOYSA-N 302.334 -0.706 30 20 DBED N#Cc1ccc(S(=O)(=O)N(CCO)CCOCCO)o1 569356931 QKUALLRNFJHTBA-UHFFFAOYSA-N 304.324 -0.857 30 20 DBED C=CCOC[C@@H](NC(=O)[C@H]1CC(=O)N(C2CC2)C1)C(=O)OC 582820399 BQSHAWQRLLONHI-CMPLNLGQSA-N 310.350 -0.142 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@H](N)C[C@H]2C)C1=O 584477706 QRKRPAWYWKMCMG-NXEZZACHSA-N 308.338 -0.699 30 20 DBED CC(C)[C@H](C#N)N1CCN(C(=O)[C@@H]2CC[C@H](C(N)=O)O2)CC1 599247585 FIGCVSSTZSXCCX-XQQFMLRXSA-N 308.382 -0.288 30 20 DBED CN(C)[C@H]1CCCN(C(=O)C(=O)N2CCN(CCC#N)CC2)C1 601449341 PHNQKJMLWIZPOZ-AWEZNQCLSA-N 321.425 -0.403 30 20 DBED CC(C)[C@@H](C#N)N1CCN(C(=O)Cn2ccc(O)nc2=O)CC1 604561318 SSTAVNVPPAUONT-GFCCVEGCSA-N 319.365 -0.359 30 20 DBED CC(C)[C@@H](C#N)NC(=O)C(=O)c1cc(S(N)(=O)=O)cn1C 613587524 MXBFZEZWVXOTQK-SECBINFHSA-N 312.351 -0.480 30 20 DBED C=CCn1cc(C(=O)NCCCN2CCC[C@H]2C(N)=O)nn1 628585187 XZZQUODHISIHBF-LBPRGKRZSA-N 306.370 -0.466 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H](O)c2ccco2)C1=O 748558362 SARXXZPRJQKPAX-VIFPVBQESA-N 321.289 -0.594 30 20 DBED CN1C(=O)CN(N=C2CCN(CCN3CCOCC3)CC2)C1=O 768380063 NCXJLVXCSDJLSK-UHFFFAOYSA-N 323.397 -0.336 30 20 DBED C=CCNS(=O)(=O)c1ccc(C(=O)NOCC(N)=O)cc1 772937213 WZPLJKRTILBMDO-UHFFFAOYSA-N 313.335 -0.702 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N2CCC[C@@]23CCOC3=O)CCO1 800116102 ADGTVBBMZMHQLA-PWSUYJOCSA-N 315.351 -0.763 30 20 DBED N#C[C@@H]1CNC[C@@H]1NC(=O)CCc1ccc(S(N)(=O)=O)cc1 834511121 ILBQAPLLUNEQSF-YPMHNXCESA-N 322.390 -0.506 30 20 DBED C#CCC[C@H](O)CNC(=O)N[C@H]1CCN(S(C)(=O)=O)C1 845423550 UPPNRENLFMOCIE-QWRGUYRKSA-N 303.384 -0.906 30 20 DBED C#CC[C@H](CO)NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 854547845 KEYWKPAUPDALCF-GFCCVEGCSA-N 321.358 -0.663 30 20 DBED C#CCN1CCC[C@@H](NC(=O)C(=O)Nc2cc(C)nn2C)C1 891606620 OHQIWIMAEFKAHW-GFCCVEGCSA-N 303.366 -0.119 30 20 DBED C#CCN1CCC[C@H](NC(=O)CCC(=O)NCCNC(C)=O)C1 923577970 CAIGRFYLGOSEPS-AWEZNQCLSA-N 322.409 -0.767 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CCN1CCCC1=O 937231140 WGSGXUFVWSFRBL-AVGNSLFASA-N 318.377 -0.030 30 20 DBED O=C(Cn1cnnc1O)N[C@@H]1CCN(C(=O)C#CC2CC2)C1 940100611 JDOFSKFQAGGGLT-LLVKDONJSA-N 303.322 -0.886 30 20 DBED C[C@@H](C#N)C(=O)N1CCCN(C(=O)c2cn(C)c(=O)n2C)CC1 941405525 PAXRUIXKEQIXIE-NSHDSACASA-N 319.365 -0.442 30 20 DBED C[C@@H]1CCCN(C(=O)C(N)=O)[C@H]1CNC(=O)c1ccc(C#N)[nH]1 945800874 OHDPLPBAJOQZMX-SKDRFNHKSA-N 317.349 -0.271 30 20 DBED CN1CCO[C@H](C(=O)NC[C@H]2CCN2C(=O)C#CC2CC2)C1 949238742 MCOCSEIIXZLQAI-KGLIPLIRSA-N 305.378 -0.553 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@]2(CCCN(C(=O)CC(N)=O)C2)C1 952944479 FSFIVFULXRPKMN-ABAIWWIYSA-N 306.366 -0.137 30 20 DBED CC[C@@H](C(N)=O)N1C[C@H]2[C@H](NC(=O)c3cc(C#N)c[nH]3)[C@H]2C1 958505086 OJQIMHMRVFMKKR-JULQROHOSA-N 301.350 -0.190 30 20 DBED C#CCCN1C[C@H](CNC(=O)c2ccc(N(C)C)nn2)[C@@H](O)C1 958600211 YFDZYPWZDFKHOK-JSGCOSHPSA-N 317.393 -0.412 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC34CC4)C[C@@H]2O)c1 962134524 PENHEMLOMBHVAC-RTXFEEFZSA-N 314.345 -0.012 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 962387774 LUXLBSUEKFEMBG-AXTRIDKLSA-N 301.306 -0.652 30 20 DBED C=CCCN1CC[C@H](C)[C@H](NC(=O)Cn2ncn(C)c2=O)C1 967028545 DUJHRJUPZKJOSY-QWHCGFSZSA-N 307.398 -0.016 30 20 DBED C=CCCN1CC[C@@H](C)[C@H](NC(=O)CN2CCNC(=O)C2)C1 967721940 MMLZSICRNGRQJF-ZIAGYGMSSA-N 308.426 -0.179 30 20 DBED C=C(Cl)CN[C@@H]1CCN(C(=O)CN2CCN(C)C(=O)C2)C1 969138426 ULYMQQFCXRTREJ-GFCCVEGCSA-N 314.817 -0.297 30 20 DBED C[C@@H](NC(=O)c1ccc(C#N)[nH]1)C1CN([C@H]2CCNC2=O)C1 969515115 XDKAUGBCSTUWGV-RNCFNFMXSA-N 301.350 -0.175 30 20 DBED C=CCN1CC[C@@H](N[C@@H]2CCN(C(=O)[C@@H]3CCC(=O)N3)C2)C1=O 970524365 MWAOFPUWTDJGJN-FRRDWIJNSA-N 320.393 -0.758 30 20 DBED C=C(Cl)CN1CC([C@@H](C)NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 970897665 GFEAEEVPLWXUKJ-KOLCDFICSA-N 321.830 -0.133 30 20 DBED C#CCN[C@@H]1C[C@H](C)N(C(=O)CN2CCCCS2(=O)=O)C1 989196341 UMGJOGXJTKUNFR-QWHCGFSZSA-N 313.423 -0.376 30 20 DBED C#CCN1CC[C@]2(NC(=O)C[C@@H]3NC(=O)NC3=O)CCC[C@@H]12 991099801 JNTLFYLIHKXHQA-FIXISWKDSA-N 304.350 -0.669 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)C2CCN(C(N)=O)CC2)C1 991339477 MXUXWJLOSKWLFH-VIFPVBQESA-N 307.354 -0.736 30 20 DBED N#CCN1CC[C@@]2(NC(=O)Cn3ccc(O)nc3=O)CCC[C@H]12 991660426 YUHRRBQSBQMZST-NHYWBVRUSA-N 317.349 -0.414 30 20 DBED C=CCNC1CCN(C(=O)c2c[nH]nc2S(N)(=O)=O)CC1 996989336 RBBZFMRZFSXHHW-UHFFFAOYSA-N 313.383 -0.563 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)c3cnn(C)c3N)C2)nc1 997088759 VONQTIBWJKEKIM-UHFFFAOYSA-N 324.344 -0.367 30 20 DBED CNC(=O)c1cccc(C(=O)NC2CN(C(=O)[C@H](C)C#N)C2)n1 997711408 BPJUOGPNHVVYBD-SECBINFHSA-N 315.333 -0.459 30 20 DBED C=CCOc1ccc(C(=O)N2CC(NC(=O)C(N)=O)C2)cc1 998727835 RBASMSKRAHTNDE-UHFFFAOYSA-N 303.318 -0.323 30 20 DBED C=C(C)CN[C@@H]1CCCN(C(=O)c2cn(C)c(=O)n(C)c2=O)C1 1000366626 GNZDDZPVINDWLH-GFCCVEGCSA-N 320.393 -0.146 30 20 DBED O=C1N[C@@H](C(=O)NC[C@H]2[C@@H]3CN(C(=O)C#CC4CC4)C[C@H]23)CO1 1009022567 XQIMZNJPBWFRSR-FVCCEPFGSA-N 317.345 -0.671 30 20 DBED Cn1nnnc1CN1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 1010650884 OCRPOHNDMNNQNP-SNVBAGLBSA-N 300.326 -0.586 30 20 DBED Cc1nonc1CC(=O)NC1[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]12 1013701038 YLJDQLDLZZVDKI-SZEHBUNVSA-N 303.322 -0.347 30 20 DBED C=CCN1CC[C@H](N2CCC3(CC2)C[C@@H]3NC(=O)C(N)=O)C1=O 1016803610 OBPOZANBIWOBAM-RYUDHWBXSA-N 320.393 -0.771 30 20 DBED C[C@@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(CCN1C(=O)CCC1=O)C2 1017411972 PHLPXTCZZPLGPB-AVGNSLFASA-N 318.377 -0.030 30 20 DBED CC(C)(F)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 1023429689 VWHIBNGBQOMFAR-GHMZBOCLSA-N 308.313 -0.064 30 20 DBED C=C1CC(C)(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCN(C)C3)C2)C1 1023783269 GETACZOHRLKCMT-MGPQQGTHSA-N 321.421 -0.018 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1[C@@H]2CN([C@@H]3CCNC3=O)C[C@@H]21 1025814014 BISYPRLEQRZJFU-XPABHHOTSA-N 316.405 -0.981 30 20 DBED C#CCNC1CCC(NC(=O)CN2C(=O)NC(C)(C)C2=O)CC1 1026601447 PNLCBBUUFFXYQG-UHFFFAOYSA-N 320.393 -0.033 30 20 DBED C=CCn1cccc1C(=O)NC1CN(Cc2nnn(C)n2)C1 1030446779 QOXDTMMAOPTMRY-UHFFFAOYSA-N 301.354 -0.188 30 20 DBED C=CCN1CC[C@@H](N2CC(CNC(=O)c3ccn(C)n3)C2)C1=O 1032185192 YBBMIMWDJAJFQN-CQSZACIVSA-N 317.393 -0.131 30 20 DBED C#CCN1CCCC[C@H](NC(=O)[C@H]2CCN(C)S2(=O)=O)C1 1034442797 SEAFQPXWBYUVRQ-QWHCGFSZSA-N 313.423 -0.376 30 20 DBED C=CCN[C@H]1CC[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)CC1 1034659409 SVRFLJYXNZCDRQ-JOCQHMNTSA-N 320.393 -0.250 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H]1CN(CCCO)CCO1 1035400724 RLRCBDLOMQSNNL-GJZGRUSLSA-N 309.410 -0.717 30 20 DBED C#CCN1CC[C@H]2CN(C(=O)c3cn(C)c(=O)cn3)CC[C@@H]21 1036776016 FMZZCHBGEIKZGD-JSGCOSHPSA-N 300.362 -0.050 30 20 DBED C=CCN1CC[C@H]2CN(C(=O)CN3CC(=O)NC3=O)CC[C@@H]21 1036843661 KBTLQVYGHCUBKE-RYUDHWBXSA-N 306.366 -0.353 30 20 DBED C#CCN[C@H]1CCN(C(=O)Cn2ccc(O)nc2=O)C[C@@H]1CC 1037879270 YFDOERJMNYPMJV-STQMWFEESA-N 318.377 -0.201 30 20 DBED COc1nc(C(=O)N2CC[C@@](O)(CNC(=O)[C@@H](C)C#N)C2)co1 1040765735 KPVSIENLKBFGBH-LKFCYVNXSA-N 322.321 -0.464 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)c2ccc(O)nc2)C1 1040892093 DOEQVAQKQIZEQZ-MEBBXXQBSA-N 318.333 -0.360 30 20 DBED C#CCN1CC[C@]2(CCN(C(=O)c3cnc(O)n(C)c3=O)C2)C1 1041530802 BMIKIVKNHZNIAP-INIZCTEOSA-N 316.361 -0.343 30 20 DBED COCCCCC(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1041919867 OQLPVKSMFPRGNR-UHFFFAOYSA-N 308.378 -0.094 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)[C@H]2CCCOC2)C1 1041995113 SKNWSBMDWAHKMY-ZDUSSCGKSA-N 308.378 -0.238 30 20 DBED C#CCCCCC(=O)N1CC(O)(CNC(=O)[C@H]2CCCN2C)C1 1042097804 JYTQUNNLMPNOOH-CQSZACIVSA-N 321.421 -0.036 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(O)CN(C(=O)[C@@H](F)CC)C1 1042815008 VGTAHBJVPMFSKQ-GXFFZTMASA-N 302.346 -0.249 30 20 DBED CCc1oncc1C(=O)NCC1(O)CN(C(=O)[C@H](C)C#N)C1 1043088578 KXLXBDINHFBBBP-SECBINFHSA-N 306.322 -0.300 30 20 DBED C=C(C)CCC(=O)NCC1(O)CN(C(=O)Cc2ncc[nH]2)C1 1043311252 RMPVVPSZLXUKTK-UHFFFAOYSA-N 306.366 -0.002 30 20 DBED Cc1cc(OCC(=O)NCC2(O)CN(C(=O)[C@H](C)C#N)C2)no1 1043462458 YBZAGWVDYDDWBB-SECBINFHSA-N 322.321 -0.789 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)CC(C)C)C1 1043649595 OTJGNYSHOHEMEQ-AWEZNQCLSA-N 321.421 -0.180 30 20 DBED Cn1nc(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)N(CC#N)C3)ccc1=O 1047193745 JGEGPIXPLAQTGH-TUAOUCFPSA-N 301.350 -0.113 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CCN(C)C2=O)C1 1047417304 MQFMJYGESBZHSL-IHRRRGAJSA-N 307.394 -0.618 30 20 DBED C=C(C)CCN1C[C@H](O)[C@@H](N(C)C(=O)CN2CC(=O)NC2=O)C1 1047567346 FBGKWLPRCYQZDF-RYUDHWBXSA-N 324.381 -0.992 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CN(CCN3C(=O)CCC3=O)C[C@@H]2C1 1048724981 MDOBMDIPWMGMKM-UPJWGTAASA-N 318.377 -0.315 30 20 DBED C#CCOCCC(=O)N(C)[C@H]1CN(C(=O)[C@H]2C[C@@H]2C)C[C@@H]1O 1048847235 DVXNDBDCQMBQSN-XUXIUFHCSA-N 308.378 -0.288 30 20 DBED COc1c(O)nc(O)nc1C(=O)N1C[C@@H]2CN(CC#N)C[C@@H]2C1 1049169401 NRDRIFDAVFKYJH-DTORHVGOSA-N 319.321 -0.576 30 20 DBED CCn1cc(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)C#N)C2)cn1 1049388741 PXDOJRVNBYAAME-DRZSPHRISA-N 319.365 -0.294 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)c2ccncc2)C[C@@H]1O 1049389246 VSKIMAOQRROXLP-DRZSPHRISA-N 302.334 -0.115 30 20 DBED Cc1nonc1CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)C#N)C1 1049395705 WUADAUVTUCWXAA-ZHAHWJHGSA-N 321.337 -0.890 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCN([C@H]3CCC(=O)NC3=O)CC2)C1 1050463087 INVCHNJRHWKTJH-RYUDHWBXSA-N 318.377 -0.124 30 20 DBED C#CCCN1CCOC[C@H]1CNC(=O)c1nnn(C(C)(C)C)n1 1050927873 SBZHNWLDQRRDPO-GFCCVEGCSA-N 320.397 -0.118 30 20 DBED CNC(=O)NCC(=O)N1CC[C@@H]([C@@H](C)NC(=O)C#CC2CC2)C1 1050934891 QKVXOKVIBHCLTR-DGCLKSJQSA-N 320.393 -0.318 30 20 DBED C=CCN1CCOC[C@H]1CNC(=O)[C@@H]1CCc2nnn(C)c2C1 1051088098 TUYDPIXQTYOBTH-CHWSQXEVSA-N 319.409 -0.077 30 20 DBED N#Cc1nccnc1N1CC[C@@H](NC(=O)c2cnon2)[C@H](O)C1 1051716899 BYFHPPMOCXACDF-LDYMZIIASA-N 315.293 -0.899 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1CNC(=O)Cn1ncnn1 1052554795 RQYQDPBVZUXZIU-YPMHNXCESA-N 316.365 -0.703 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)[C@H]1COCCN1CC)CCO2 1053320898 NKLGXVUYSDGARB-OAHLLOKOSA-N 321.421 -0.356 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)c1ccc(C(N)=O)o1)CCO2 1053333260 BNEPKAGTTREBQW-UHFFFAOYSA-N 317.345 -0.071 30 20 DBED CN1C(=O)CCC[C@@H]1C(=O)NC[C@@H]1CCC2(CN(CC#N)C2)O1 1053694745 YOIMGLSISIMDKO-QWHCGFSZSA-N 320.393 -0.130 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)[C@@H](C)N3C(=O)CCC3=O)CO2)C1 1053820815 MJIHOQKLPKYJIJ-VXGBXAGGSA-N 319.361 -0.883 30 20 DBED COCc1nocc1C(=O)N[C@@H]1COC2(C1)CN(CC#N)C2 1053979897 ZRODLGGPONHANM-JTQLQIEISA-N 306.322 -0.082 30 20 DBED N#CCN1CC[C@]2(CCCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)C1 1054195701 BKMZCGIADJKJGL-WOSRLPQWSA-N 320.393 -0.143 30 20 DBED CN1CC[C@@H](C(=O)N[C@H]2[C@@H]3CN(c4cncc(C#N)n4)C[C@@H]32)C1 1056229730 ZNHDGQCOXDMZTH-PBOSXPJTSA-N 312.377 -0.149 30 20 DBED N#Cc1cncc(N2C[C@H]3[C@H](NC(=O)[C@@H]4CCNC4=O)[C@H]3C2)n1 1056355228 GXJWNJROFXRJJK-DCQANWLSSA-N 312.333 -0.965 30 20 DBED CN(c1cnc(C#N)cn1)[C@@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 1056997442 BOWDYSOIOYEAFC-VXGBXAGGSA-N 314.349 -0.479 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)[C@@H]1COCCO1 1057169967 QLDRQNBARSPORE-LBPRGKRZSA-N 300.355 -0.695 30 20 DBED Cn1nnc(C(=O)N2CCCN(c3ccc(C#N)nn3)CC2)n1 1057211765 NADUXMLAIDQYGJ-UHFFFAOYSA-N 313.325 -0.776 30 20 DBED COc1cc(C(=O)N(CCO)CCNC(=O)C#CC(C)C)on1 1057398046 IUZFVXXDHINJAF-UHFFFAOYSA-N 323.349 -0.107 30 20 DBED C=C[C@](C)(O)CC(=O)N(CCO)CCNC(=O)c1n[nH]cc1C 1057450568 UDNKFZWJPRAHII-HNNXBMFYSA-N 324.381 -0.404 30 20 DBED C=CCO[C@H](C)C(=O)N(CCO)CCNC(=O)Cc1cc[nH]n1 1057921630 LZKJGMZATLQRET-GFCCVEGCSA-N 324.381 -0.520 30 20 DBED C=C[C@@H](C)[C@H](C)C(=O)NCCN(CCO)C(=O)c1nc[nH]n1 1058388386 CXECZEKIDQGYCR-MNOVXSKESA-N 309.370 -0.186 30 20 DBED N#Cc1cnc(N2CC[C@H](NC(=O)C[C@H]3CCC(=O)N3)C2)cn1 1058396563 PJXLOJYAAMYYBL-MNOVXSKESA-N 314.349 -0.288 30 20 DBED C[C@@H](C#N)C(=O)NCC[C@H]1CCN(C(=O)CCn2cnnn2)C1 1060228347 LAZARMNHEOZFIJ-RYUDHWBXSA-N 319.369 -0.422 30 20 DBED C#CCO[C@H](C)C(=O)N1CC2(CCN(C(=O)CC(N)=O)CC2)C1 1061008342 AIRFAAGEODHXIB-GFCCVEGCSA-N 321.377 -0.649 30 20 DBED C=CCOCC(=O)N1CCOC[C@H]1CNC(=O)[C@H](C)COC 1061416966 SCPBNMIPUVWRRI-CHWSQXEVSA-N 314.382 -0.185 30 20 DBED Cc1cnn(CC(=O)N2CCOC[C@@H]2CNC(=O)[C@H](C)C#N)c1 1061847634 UREISZRPFADSPU-OLZOCXBDSA-N 319.365 -0.305 30 20 DBED C=CCn1cc(C(=O)NC2(CNC(=O)CC(N)=O)CCC2)nn1 1062735525 HHVLHLCBJHGPCN-UHFFFAOYSA-N 320.353 -0.892 30 20 DBED CC(C)(C)C#CC(=O)NCC1(NC(=O)Cn2ncnn2)CCC1 1062983406 XLALFIGVUJCCMO-UHFFFAOYSA-N 318.381 -0.122 30 20 DBED COCC(=O)N[C@H](C)C(=O)NCC1(NC(=O)[C@H](C)C#N)CCC1 1063323922 CHENJZLWPYUCKR-GHMZBOCLSA-N 324.381 -0.548 30 20 DBED C=CCOCC(=O)N1CCO[C@H](CNC(=O)CCN(C)C)C1 1064972141 QJTPEERRURQNQG-CYBMUJFWSA-N 313.398 -0.516 30 20 DBED C=CCC(C)(C)C(=O)NC[C@H]1CN(C(=O)CC(N)=O)CCO1 1064999231 UEKWKWXRRKJMIV-NSHDSACASA-N 311.382 -0.192 30 20 DBED C#CCCCC(=O)N1CCO[C@@H](CNC(=O)c2cn(C)nn2)C1 1065093093 QXOZNBNCNJYJMY-LBPRGKRZSA-N 319.365 -0.424 30 20 DBED N#Cc1ccc(N2C[C@H]3CN(C(=O)Cn4ncnn4)C[C@H]3C2)cn1 1066029314 CRNFBGFZDQOCTR-TXEJJXNPSA-N 324.348 -0.465 30 20 DBED CC[C@H](OC)C(=O)N1CCO[C@@H](CN=c2cc[nH]c(C#N)n2)C1 1066602515 PLTSKDCDZQPXBY-RYUDHWBXSA-N 319.365 -0.166 30 20 DBED C#CCCCCCC(=O)N1CCOC2(C1)CN(C(=O)C(N)=O)C2 1068422595 PEDZMEGDHYNCRE-UHFFFAOYSA-N 321.377 -0.505 30 20 DBED N#Cc1nc(=N[C@@H]2CCC[C@@H]3CN(C(=O)C(N)=O)C[C@H]32)cc[nH]1 1069319094 PMUSRWKNYFAJHL-GMTAPVOTSA-N 314.349 -0.706 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)Cn2cc(C)cn2)C1 1069899133 RCOVURSRRJLIMP-KGLIPLIRSA-N 313.365 -0.542 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CCCN(C(=O)CN2CCOCC2)C1 1070626939 TXVUHBMVQYECGS-QWHCGFSZSA-N 308.382 -0.415 30 20 DBED C#CCCCCC(=O)N1CCC[C@@H](NC(=O)CNC(N)=O)C1 1070634797 HZBQNLXEXYQLQQ-GFCCVEGCSA-N 308.382 -0.045 30 20 DBED C=CCN1C[C@H]2C[C@H]3CN(C(=O)[C@H]4C[C@H]4C(N)=O)C[C@@]3(C1)O2 1070855732 UGCCFNGEZXXXMV-SUNOKAMTSA-N 305.378 -0.405 30 20 DBED CC#CCN1C[C@H]2C[C@@H]3CN(C(=O)Cc4nc[nH]n4)C[C@@]3(C1)O2 1070877809 VDFHKCJFWBXCJT-XJKCOSOUSA-N 315.377 -0.328 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)c2c(C)cnn2C)CC1 1070990185 UTYRRFNBPPHGCL-UHFFFAOYSA-N 317.393 -0.374 30 20 DBED C[C@@H]1OCC[C@@H]1C(=O)N1CCC(=O)NCCN(CC#N)CC1 1071010291 DZXFISODEQEPOL-STQMWFEESA-N 308.382 -0.415 30 20 DBED C#CCOCCC(=O)N[C@H]1CN(C(=O)C2=COCCO2)C[C@@H]1C 1071523666 BOPLIPUODPUXAO-STQMWFEESA-N 322.361 -0.122 30 20 DBED C=CCCC(=O)N1C[C@@H](NC(=O)c2nnc(O)nc2O)[C@H](C)C1 1071787546 PIZKJLHTARHDOR-RKDXNWHRSA-N 321.337 -0.174 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H](C)[C@H](NC(=O)CCOC)C1 1071937284 ZWDCGIMLZLEJSG-NWDGAFQWSA-N 309.366 -0.875 30 20 DBED C[C@@H]1CN(C(=O)c2cc(=O)n(C)o2)C[C@@H]1NC(=O)C#CC1CC1 1071977182 ADSLDWKGHWUIKJ-PWSUYJOCSA-N 317.345 -0.032 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1C 1072535341 VZYPBLMHDAWJKN-NXEZZACHSA-N 306.370 -0.001 30 20 DBED N#CCN1CCO[C@@H]2CCN(C(=O)CC3OCCCO3)C[C@H]21 1074222707 MAUWPNWHKYRKPQ-CHWSQXEVSA-N 309.366 -0.035 30 20 DBED Cn1c(C(=O)N2CC[C@H]3OCCN(CC#N)[C@@H]3C2)cnc1O 1074311905 DXMKWWNBXVGJAR-VXGBXAGGSA-N 305.338 -0.435 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)CNC(N)=O)C[C@@H]2CC1 1074361547 HGWGAAFDBLVSCP-SDDRHHMPSA-N 321.381 -0.489 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(O)(CNC(=O)c2cncn2C)CC1 1074707408 ZODZJBNKRKDUES-NSHDSACASA-N 319.365 -0.337 30 20 DBED C=C[C@](C)(CC)C(=O)N1CCC(O)(CNC(=O)C(N)=O)CC1 1074717954 PYHJMIQNNCTNBU-CQSZACIVSA-N 311.382 -0.456 30 20 DBED C[C@H]1[C@@H](NCC#N)CCN1C(=O)[C@H]1CCc2nnnn2CC1 1074901496 MCAWFITZHUARNL-SRVKXCTJSA-N 303.370 -0.272 30 20 DBED C#CCN1CCC(C(=O)N[C@@H](C)CCNC(=O)COC)CC1 1075363350 CFJCQLVWZFCDAO-ZDUSSCGKSA-N 309.410 -0.011 30 20 DBED C[C@@H](CCNC(=O)c1nnn(C)n1)NC(=O)CSCC#N 1077879860 ZKWLNYNUCLCFHI-QMMMGPOBSA-N 311.371 -0.909 30 20 DBED C=CCOCC(=O)N[C@@H](C)CCNC(=O)[C@@H]1CCN(C)C1=O 1077909119 ACVWMELXUZEAQM-RYUDHWBXSA-N 311.382 -0.322 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)Cc2cccc(NC(C)=O)c2)C1 1078048187 CDJJUZPSZOEPNH-HZPDHXFCSA-N 315.373 -0.018 30 20 DBED N#CCN[C@H]1C[C@@H](NC(=O)CC2CS(=O)(=O)C2)C12CCC2 1078661584 VIOSOAGNEGQESH-NWDGAFQWSA-N 311.407 -0.038 30 20 DBED C=CCOCC(=O)N(CC)C1CN(C(=O)CNC(=O)CC)C1 1079490592 WLGBPMVOJJKDJV-UHFFFAOYSA-N 311.382 -0.226 30 20 DBED C=CCOCC(=O)N(CC)C1CN(C(=O)Cn2nccn2)C1 1079491431 HZEAGRDFRBEIME-UHFFFAOYSA-N 307.354 -0.460 30 20 DBED C#CCCCC(=O)N1CC(N(CC)C(=O)Cn2cnnc2O)C1 1079648582 APKPHXBXRNPSFF-UHFFFAOYSA-N 319.365 -0.154 30 20 DBED CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)c2cc(C(N)=O)c[nH]2)C1 1080414777 SKQKQFLUXBMUQK-SECBINFHSA-N 317.349 -0.054 30 20 DBED CC#CCN1C[C@@H](NC(=O)C[C@@H]2CCN(C)C2=O)[C@H](OC)C1 1081831708 QUZKBGRJLYIFNM-BFHYXJOUSA-N 307.394 -0.307 30 20 DBED CC#CCN1C[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)C2)[C@H](OC)C1 1081914312 LWDCNFXBGPEVAY-JHJVBQTASA-N 314.407 -0.740 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CN(C[C@@H](C)O)C[C@H]2OC)nn1 1082213238 RFYQKJQATSIFCG-NQBHXWOUSA-N 309.370 -0.726 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CCc1cncnc1 1083143059 OATZHVKBMCSZKR-UONOGXRCSA-N 301.350 -0.156 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)c2ccc(-n3cncn3)nc2)C1 1083685603 BTYMBYJLSRPEGM-OLZOCXBDSA-N 314.349 -0.377 30 20 DBED CCn1nc(C(=O)N2C[C@H]3CCN(CC#N)C[C@H]32)ccc1=O 1084727665 VJRKNSQEDCYUJV-DGCLKSJQSA-N 301.350 -0.067 30 20 DBED N#CCN1C[C@H]2[C@@H]3CC[C@@H](CN3C(=O)C3CS(=O)(=O)C3)[C@H]2C1 1089805953 MPAXHZJIGBIHMG-ASEORRQLSA-N 323.418 -0.277 30 20 DBED N#CCN1CC[C@H](NC(=O)Cn2cc(C3CC3)nn2)[C@@H](O)C1 1090317935 DVIGBCSKTLOSSZ-AAEUAGOBSA-N 304.354 -0.770 30 20 DBED COc1coc(C(=O)N[C@@H]2CCN(CC#N)C[C@H]2O)cc1=O 1090432031 HKNPQXZHADPHMQ-MWLCHTKSSA-N 307.306 -0.663 30 20 DBED C[C@@H](CC(N)=O)C(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1O 1090513375 YMOWCVMFMDOQNV-MVWJERBFSA-N 317.349 -0.870 30 20 DBED C=CCCN1CC[C@@H](NC(=O)Cn2ccccc2=O)[C@H](O)C1 1090797798 GJESJOFXRGTNFM-ZIAGYGMSSA-N 305.378 -0.024 30 20 DBED CCOCC(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1OC 1090858054 KHCYPFJVZOIZNL-VXGBXAGGSA-N 305.338 -0.295 30 20 DBED CO[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1NC(=O)[C@H](C)C#N 1090864592 ISTSBQCOWPZMKK-GMTAPVOTSA-N 300.322 -0.172 30 20 DBED CC(C)OCCC(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1091076922 JVURHOSTVODZFB-NEPJUHHUSA-N 319.365 -0.171 30 20 DBED C=CCNC1CC(CNC(=O)c2c[nH]nc2S(N)(=O)=O)C1 1091225870 DLPROSLSXHEKPZ-UHFFFAOYSA-N 313.383 -0.659 30 20 DBED CS(=O)(=O)CC(=O)NC[C@H]1C[C@@H](Nc2cnc(C#N)cn2)C1 1091318115 KLMCVXURVZBVPE-AOOOYVTPSA-N 323.378 -0.300 30 20 DBED CC(C)(O)CC(=O)N[C@@H]1CCN(c2ccc(C#N)nn2)C[C@H]1O 1092144840 FBRVIQZIAZHGBG-VXGBXAGGSA-N 319.365 -0.435 30 20 DBED COc1ccnc(N2CC[C@@H](NC(=O)C#CC3CC3)[C@H](O)C2)n1 1092151045 JEVMMCWLHDAEDJ-CHWSQXEVSA-N 316.361 -0.046 30 20 DBED C[C@H](NC(N)=O)C(=O)NC1[C@@H]2CN(c3ccncc3C#N)C[C@@H]12 1093258526 MKISXCLHZZYSKH-JMJZKYOTSA-N 314.349 -0.439 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1[C@@H]2CN(c3ncccc3C#N)C[C@@H]21 1093267142 VQGHRXNKYIEZEM-VIKVFOODSA-N 323.356 -0.356 30 20 DBED CS(=O)(=O)C1(C(=O)NCCN=c2cc[nH]cc2C#N)CCC1 1093827136 RCIABCWWJDXNKM-UHFFFAOYSA-N 322.390 -0.129 30 20 DBED C=C(C)CN1CCN(C(=O)c2ncc[nH]2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094630038 VRAMEUPOJUQANF-NWDGAFQWSA-N 324.406 -0.091 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)c3cnnc(C)c3)CC2=O)C1 1094730294 WXFGCRVAOPOMSN-ZDUSSCGKSA-N 315.377 -0.014 30 20 DBED Cc1noc(C(=O)N[C@H]2CC(=O)N(C3CN(CC#N)C3)C2)c1C 1094750084 VOMYXDDZQYGTDT-NSHDSACASA-N 317.349 -0.170 30 20 DBED Cc1nc(C)c(C(=O)N[C@@H]2CC(=O)N(C3CN(CC#N)C3)C2)[nH]1 1094786703 YPXNLSGGNQNACS-LLVKDONJSA-N 316.365 -0.435 30 20 DBED COc1cc(C(=O)NCCCN=c2cc[nH]c(C#N)n2)nn1C 1094895173 CWBWPAPJQWPAQS-UHFFFAOYSA-N 315.337 -0.256 30 20 DBED C#CCN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1ncn(C)c1=O)C2 1094950864 TVHFOOPLXYDYAT-XQQFMLRXSA-N 303.366 -0.816 30 20 DBED C[C@H](CC(N)=O)C(=O)NCCCN(C)c1ccnc(C#N)n1 1095704972 PENXRDXCQADDNH-SNVBAGLBSA-N 304.354 -0.198 30 20 DBED CNS(=O)(=O)CC(=O)N[C@H]1CCN(c2ccc(C#N)nc2)C1 1096381452 FGKUUCLAPNOOFZ-NSHDSACASA-N 323.378 -0.803 30 20 DBED CS(=O)(=O)CCC(=O)N[C@H]1CCN(c2cnc(C#N)cn2)C1 1096501662 BXQUKLQMGOVVSI-JTQLQIEISA-N 323.378 -0.522 30 20 DBED CNC(=O)NCCC(=O)NC[C@H](C)Nc1cncc(C#N)n1 1097806870 XOWNWIYYOXYTNN-VIFPVBQESA-N 305.342 -0.416 30 20 DBED C#CCN(CCO)C1CCN(C(=O)Cc2cn(CC)nn2)CC1 1098439155 WAYOQCMVEBYXHL-UHFFFAOYSA-N 319.409 -0.241 30 20 DBED C#CCCN(CCO)C1CCN(C(=O)CC(=O)N(C)C)CC1 1098493825 GOYPFDGSMSHZPD-UHFFFAOYSA-N 309.410 -0.227 30 20 DBED CNC(=O)CC(=O)N1CC[C@@H](CNc2cnc(C#N)cn2)C1 1098521385 CAVRTETUYIWZDB-JTQLQIEISA-N 302.338 -0.255 30 20 DBED C=CCOCCCC(=O)N[C@H]1CCN(CCCO)C[C@@H]1O 1099766810 QNERAELNCGDJIB-KBPBESRZSA-N 300.399 -0.097 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)CCc2ncc[nH]2)[C@H](O)C1 1099803759 CWEDEJHCQCUAGW-ZIAGYGMSSA-N 320.393 -0.457 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCN(Cc2nonc2C)C[C@H]1O 1099832995 PUJAHNBAKDGGAB-TZMCWYRMSA-N 322.365 -0.531 30 20 DBED C=C(C)CCC(=O)N[C@@H]1CCN(Cc2nc(=O)n(C)[nH]2)C[C@@H]1O 1099855336 GMZYRZQYVVHLIA-NEPJUHHUSA-N 323.397 -0.484 30 20 DBED C#CCC1(C(=O)N[C@H]2CCN(CC(=O)NCC)C[C@@H]2O)CCC1 1099874824 RHJGAWLLCTXEND-KBPBESRZSA-N 321.421 -0.133 30 20 DBED C=CCCN1CC[C@@H](NC(=O)COc2cnn(C)c2)[C@@H](O)C1 1099971444 IBUUISNHCKNWDR-KGLIPLIRSA-N 308.382 -0.074 30 20 DBED CC#CCN1CC[C@@H](NC(=O)COC2CCN(C)CC2)[C@@H](O)C1 1100050059 BLHDFVNABZSLRQ-CVEARBPZSA-N 323.437 -0.328 30 20 DBED C=CCN1CC[C@@H](NC(=O)CC(=O)NCC(F)(F)F)[C@H](O)C1 1100055776 IRYSKBTZOWZCCE-NXEZZACHSA-N 323.315 -0.208 30 20 DBED CN(CCNC(=O)CCn1ccnn1)c1nccnc1C#N 1100075341 GIQHJSTWZYDNGJ-UHFFFAOYSA-N 300.326 -0.418 30 20 DBED CC(C)(C)S(=O)(=O)CC(=O)N[C@@H]1CCN(CC#N)C[C@H]1O 1100076649 ORLZYVDPLNZWLG-GHMZBOCLSA-N 317.411 -0.725 30 20 DBED C=CCCCN1CC[C@@H](NC(=O)c2ccc(=O)n(C)n2)[C@H](O)C1 1100096586 JQSOUTNYIDTGMR-TZMCWYRMSA-N 320.393 -0.089 30 20 DBED N#CCNC(=O)CNC1CC(CNC(=O)[C@H]2CCCOCC2)C1 1100281415 XLTZMNJZWXDGTR-MOKVOYLWSA-N 322.409 -0.073 30 20 DBED C[C@H](CC(N)=O)C(=O)NC[C@@H]1CCN(c2cnc(C#N)cn2)C1 1101035457 FGORFQVAACDXFF-MNOVXSKESA-N 316.365 -0.198 30 20 DBED C=CCO[C@@H](C)C(=O)NCC1CC(NCc2nnn(C)n2)C1 1101057641 QRWVJBHBTWVWKY-UNXYVOJBSA-N 308.386 -0.214 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CN(C(=O)[C@@H](CC)OC)C[C@]2(C)C1 1101153723 BHWOQCSOPFUSID-CPUCHLNUSA-N 321.421 -0.059 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)c1cnn(C)c1N 1101579103 OEKIVHOUGPZGPX-UHFFFAOYSA-N 300.326 -0.730 30 20 DBED CNC(=O)C1(C(=O)N(C)CCNc2ccc(C#N)nn2)CC1 1101682650 RTZVJCZKICWXKF-UHFFFAOYSA-N 302.338 -0.255 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1CNC(=O)CN1C(=O)CN(C)C1=O 1102560977 XSXUGXZQMNAMIR-GHMZBOCLSA-N 307.354 -0.912 30 20 DBED CNC(=O)CC(=O)N(C)[C@@H]1CCN(c2cncc(C#N)n2)C1 1102697712 MKAWWHQUUBCENW-LLVKDONJSA-N 302.338 -0.479 30 20 DBED N#Cc1cncc(NC[C@H]2CCCN2C(=O)CNC(N)=O)n1 1103789409 ZXKMFVIVGSBRDJ-SNVBAGLBSA-N 303.326 -0.581 30 20 DBED C[C@@H](CNC(=O)Cn1cncn1)CNc1cnc(C#N)cn1 1103969096 IARSWQCBWTTYKH-SNVBAGLBSA-N 300.326 -0.196 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(n2cc(CNC[C@@H](C)O)nn2)C1 1105240260 GCMUPDHYIRMGMW-NEPJUHHUSA-N 321.381 -0.830 30 20 DBED CC#CCNCc1cn(C2CN(C(=O)Cc3nc[nH]n3)C2)nn1 1105359872 ZBSJANYUQZNPOX-UHFFFAOYSA-N 314.353 -0.865 30 20 DBED C#CCCCC(=O)NC[C@@H](O)CN=c1cc[nH]c(C(=O)OC)n1 1105804456 RPRZMISYNLEBRB-NSHDSACASA-N 320.349 -0.622 30 20 DBED Cc1nccn1CC(=O)NC[C@@H](O)CNc1cncc(C#N)n1 1105867514 XVKWZVJEDDASNC-LBPRGKRZSA-N 315.337 -0.558 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)CNC(=O)C2CC2)C[C@H]1C 1105868087 CLHSXCVQJDZGDK-UKRRQHHQSA-N 321.421 -0.154 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)CO[C@H]2CCOC2)nc1 1105972407 IZCVGHNROCOOHO-STQMWFEESA-N 320.349 -0.352 30 20 DBED C=CCNC[C@@H]1CN(C(=O)CCS(=O)(=O)NC)C[C@H]1C 1106116806 OACKKTXHVFYGDR-VXGBXAGGSA-N 303.428 -0.204 30 20 DBED C[C@@H]1[C@H](C(=O)NC[C@H](O)CNc2cnc(C#N)cn2)CCN1C 1106152885 JXRNLURUJWYGPC-RAIGVLPGSA-N 318.381 -0.423 30 20 DBED CCc1n[nH]cc1C(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1 1106163052 KTHRCIGFAZRUGL-VIFPVBQESA-N 315.337 -0.742 30 20 DBED C[C@@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)[C@@H]1CC(=O)N(C)C1 1106613543 JIQILMSBPGCNKC-WDEREUQCSA-N 316.365 -0.445 30 20 DBED C=C[C@H](CC)CC(=O)NCc1cn(C2CN(CC(N)=O)C2)nn1 1107198431 GYMCGLRHOMRQPH-LLVKDONJSA-N 320.397 -0.161 30 20 DBED CNC(=O)C1(C(=O)NC/C=C\CN=c2cc[nH]c(C#N)n2)CC1 1107252498 MIPVLFSVQFHKNN-IHWYPQMZSA-N 314.349 -0.619 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CNc1cc(C)nc(CO)n1 1108320956 DYNFDKPALUMFMP-NSHDSACASA-N 319.365 -0.667 30 20 DBED C[C@@H](CNc1ncccc1C#N)NC(=O)C1CC(=O)NC(=O)C1 1108440682 FDGIGGPJLPETEZ-VIFPVBQESA-N 315.333 -0.077 30 20 DBED C[C@@H](CN=c1cc[nH]cc1C#N)NC(=O)[C@@H]1CCN(C)C1=O 1108646821 JRIVXXZUZMXGFW-JQWIXIFHSA-N 301.350 -0.230 30 20 DBED C[C@@H](CNc1nccnc1C#N)NC(=O)[C@]1(C)CCNC1=O 1108694410 QYJSIHGGFNTUPN-LKFCYVNXSA-N 302.338 -0.209 30 20 DBED CN(CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC#N)S(C)(=O)=O 1109365275 KNXGLNALLVXLTN-VWYCJHECSA-N 300.384 -0.877 30 20 DBED N#Cc1cnc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)C2(C(N)=O)CC2)cn1 1109739526 ANETVBHLUNJHRV-UBHAPETDSA-N 312.333 -0.693 30 20 DBED N#Cc1c[nH]ccc1=NC1(CNC(=O)[C@@H]2CCCNC2=O)CC1 1110257227 GYOYWMMZLRZEQQ-GFCCVEGCSA-N 313.361 -0.038 30 20 DBED CC(=O)N[C@H](C)C(=O)N[C@@]1(C)CCN(c2ccc(C#N)nn2)C1 1110716824 KIXYFAHHKRROAZ-BMIGLBTASA-N 316.365 -0.042 30 20 DBED COCCC(=O)NC[C@H]1COCCN1c1ccnc(C#N)n1 1111649622 QIWPVBZRQTUTMY-NSHDSACASA-N 305.338 -0.294 30 20 DBED CO[C@@H](C)C(=O)NC[C@@H]1COCCN1c1nccnc1C#N 1111656527 DKTRRUUIEIATMN-WDEREUQCSA-N 305.338 -0.295 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1COCCN1c1ccc(C#N)nn1 1111663348 UIJSQCRNDOIMNI-CMPLNLGQSA-N 300.322 -0.171 30 20 DBED C=CCOCC(=O)NC[C@@H]1COCCN1c1ccc(C#N)nn1 1111672095 SPOITXVSHATXOG-CYBMUJFWSA-N 317.349 -0.128 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(c2ccnc(C#N)n2)C[C@H]1O 1112701294 FZPLGHCBCZHWAI-NWDGAFQWSA-N 317.349 -0.536 30 20 DBED CNC(=O)CC(=O)NC1CC(CNc2cnc(C#N)cn2)C1 1112830574 WRVRCOQNUOFEAJ-UHFFFAOYSA-N 302.338 -0.209 30 20 DBED C[C@H](Nc1cncc(C#N)n1)[C@@H](C)NC(=O)CCn1cnnn1 1113123887 FVHDCOZMGRDLMC-VHSXEESVSA-N 315.341 -0.270 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)C(C)(C)N2CCCC2)CC1 1113183812 YSEUYLQSTXCENU-UHFFFAOYSA-N 320.437 -0.246 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)C[C@@H]2CCC(=O)N2)CC1 1113422433 PILAOXKWTDKRET-OLZOCXBDSA-N 322.409 -0.510 30 20 DBED C[C@@H](CNC(=O)C[C@@H]1CCC(=O)N1)N(C)c1ccnc(C#N)n1 1113651832 KLKRGKVACVKJEE-QWRGUYRKSA-N 316.365 -0.042 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)[C@@H]3CCCOC3)[C@@H]2C1 1114001630 GBJKMTFXOPYULV-JHJVBQTASA-N 305.378 -0.791 30 20 DBED N#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3cscn3)[C@H]2C1 1114038149 NBEZKQWRPZQKIB-IUCAKERBSA-N 305.363 -0.557 30 20 DBED N#Cc1cncc(N2C[C@H]3C(CNC(=O)Cn4nccn4)[C@@H]3C2)n1 1114580812 UMCZDCZPOSQODJ-STQMWFEESA-N 324.348 -0.562 30 20 DBED C=CCCN1C[C@H]2[C@H](NC(=O)[C@H](CCC(N)=O)NC(C)=O)[C@H]2C1 1114978322 SGXVABPBEVEMDA-SFDCQRBFSA-N 322.409 -0.621 30 20 DBED COCC[C@H](C)C(=O)NC1[C@H]2CN(CC(=O)NCC#N)C[C@H]12 1115266665 XQVUCLKKRZBPQA-SRVKXCTJSA-N 308.382 -0.655 30 20 DBED C#CCC[C@@H](O)CNC(=O)NCCOCCS(C)(=O)=O 1116896740 AAIBDVHQNNRDAU-LLVKDONJSA-N 306.384 -0.879 30 20 DBED C=C(C)COCCNC(=O)C(=O)N[C@@H]1COCC[C@H]1OC 1119865265 URNBQMJBWYVADL-VXGBXAGGSA-N 300.355 -0.385 30 20 DBED Cc1nccn1CC(=O)NC[C@@H](CO)Nc1ccc(C#N)nn1 1121598370 KGXZPUWYXWMCTJ-LBPRGKRZSA-N 315.337 -0.558 30 20 DBED CCc1nc[nH]c1C(=O)NC[C@H](CO)Nc1ccc(C#N)nn1 1121874533 HPBUPZAMICYRQW-SNVBAGLBSA-N 315.337 -0.163 30 20 DBED CO[C@@H](C(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1)C(C)C 1122445784 SVKGDKBURCIRJG-ZWNOBZJWSA-N 307.354 -0.670 30 20 DBED C[C@@H]1OCCO[C@@H]1C(=O)NC[C@@H](CO)Nc1cncc(C#N)n1 1122775890 JWCWYZDJAVDKMC-GAFUQQFSSA-N 321.337 -0.959 30 20 DBED N#CCSCC(=O)NCCNCC[C@@H]1CCS(=O)(=O)C1 1123792143 KFDSXXUANUBUEL-LLVKDONJSA-N 319.452 -0.226 30 20 DBED CCOCCC(=O)N(C)C[C@@H](O)CN=c1cc[nH]c(C#N)n1 1124191277 LQIHGDFIYSRJJC-NSHDSACASA-N 307.354 -0.572 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)C[C@H](C)OC 1124594702 MAMOLHSTDXLPLP-JTQLQIEISA-N 300.359 -0.871 30 20 DBED C#CCN1CCn2ncc(CNC(=O)C[C@H](C)NC(N)=O)c2C1 1128350692 GLBFDSVIXQMZHQ-NSHDSACASA-N 318.381 -0.605 30 20 DBED N#CCN[C@@H]1CN(C(=O)CCCCC(N)=O)C[C@@H]1n1ccnn1 1130079359 GTYHSHRLUUHPGR-NEPJUHHUSA-N 319.369 -0.811 30 20 DBED N#CCN1CC[C@H](c2n[nH]cc2CNC(=O)Cn2cncn2)C1 1130446839 SDOLDGULYFYYEA-NSHDSACASA-N 314.353 -0.370 30 20 DBED COCC#CCNCCNC(=O)c1sccc1-n1cnnn1 1130793393 IZNAMTQBRABOAA-UHFFFAOYSA-N 320.378 -0.307 30 20 DBED COCC#CCNCCNC(=O)[C@H]1CCc2nc(C)nn2C1 1131637098 ZWGRQICUEZIPPT-ZDUSSCGKSA-N 305.382 -0.495 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)Cc1c(C)nn(C)c1C 1132046944 HIGTTXHQQWGLMY-GFCCVEGCSA-N 321.425 -0.024 30 20 DBED CN1C[C@H](C(=O)NCCNCC#Cc2ccc(F)cc2)NC1=O 1132382353 IXLFJQPNYOPRFH-CQSZACIVSA-N 318.352 -0.093 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)[C@]1(F)CCOC1 1132864589 YASRQLCFYWWPQB-AWEZNQCLSA-N 314.361 -0.417 30 20 DBED N#Cc1ccc(CNCCNC(=O)[C@@H]2CNC(=O)N2)c(F)c1 1133111806 OMFRISZBXHVKCR-LBPRGKRZSA-N 305.313 -0.415 30 20 DBED C#CCNC[C@@H]1CN(C(=O)c2cn(C)c(=O)nc2O)CC[C@@H]1C 1133315597 VNQOVHFECRUZLI-NWDGAFQWSA-N 318.377 -0.193 30 20 DBED C[C@@H](C[C@H](C)NC(=O)c1cnn(C)c1)NCC(=O)NCC#N 1133666288 GLPJHDRVOJZTAS-QWRGUYRKSA-N 306.370 -0.454 30 20 DBED C[C@@H]1CCC[C@@H](OCC(=O)NCCNCC(=O)NCC#N)C1 1134619667 YTOLVMCWLMKFDF-CHWSQXEVSA-N 310.398 -0.073 30 20 DBED C=CCn1cc(C(=O)NCCNCC(=O)N[C@@H](C)CC)nn1 1134969489 HNTUHVWPXJXITG-NSHDSACASA-N 308.386 -0.302 30 20 DBED C=CCCn1cc(C(=O)NCCNCc2cn(C)nn2)nn1 1135075715 VWSTZHAKYMGKBP-UHFFFAOYSA-N 304.358 -0.498 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)c1ccc2nncn2c1 1135250023 IWNMFAZLPODNDI-LLVKDONJSA-N 316.365 -0.261 30 20 DBED C#CCN[C@H](C)C[C@@H](C)NC(=O)C(C)(C)NS(C)(=O)=O 1135639566 OCLQAPXDNCXSGE-GHMZBOCLSA-N 303.428 -0.180 30 20 DBED C#CCO[C@H](C)C(=O)N1CC2(CCN(Cc3cn(C)nn3)C2)C1 1147530744 QLJYAQUPOTTYSB-CYBMUJFWSA-N 317.393 -0.112 30 20 DBED CC#CCN1CCCO[C@H](CNC(=O)CN2CCCNC2=O)C1 1149946224 HKZGPONIWUVGCB-CQSZACIVSA-N 322.409 -0.368 30 20 DBED CCNC(=O)NC(=O)CNCCCNC(=O)CSCC#N 1154802968 QLDRKNVOKONUIX-UHFFFAOYSA-N 315.399 -0.815 30 20 DBED C=CCNC(=O)CN(C)C[C@H]1CCCCN1C(=O)CC(=O)NC 1157864653 HTCWYJFMPGFITN-CYBMUJFWSA-N 324.425 -0.262 30 20 DBED N#CCNC(=O)CNCCCNC(=O)[C@H]1CCc2cncn2C1 1161309058 IEMDOMZIBGEIJY-LBPRGKRZSA-N 318.381 -0.819 30 20 DBED C[C@@H](CCCCNCC#N)NC(=O)CN(C)S(C)(=O)=O 1171083676 CLBGGLKBUMDURD-NSHDSACASA-N 304.416 -0.334 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)CNC(=O)C(C)(C)C 1175890340 UNLBKQRZDBTJJE-LBPRGKRZSA-N 324.425 -0.618 30 20 DBED C=CCN1CCO[C@@H]2CCN(C(=O)C(=O)NCC(F)F)C[C@H]21 1177042770 RTNQIAYSOOHYIS-GHMZBOCLSA-N 317.336 -0.145 30 20 DBED COCC#CCNCCCNC(=O)C(C)(C)CS(C)(=O)=O 1177244283 DCRPQCWAVZEWJB-UHFFFAOYSA-N 318.439 -0.197 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)c2cccnn2)[C@H]1C 1179765919 HEAYQSPKYLQZMF-AVGNSLFASA-N 315.377 -0.193 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CCCCN2C)C1 1183647036 BRBNRXUIUGPBTG-KGLIPLIRSA-N 308.426 -0.037 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@H]2CN(CCn3cncn3)C[C@H]21 1187866076 YLFZDQYRPCIIQY-QLFBSQMISA-N 317.393 -0.151 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC[C@@H](N(C)Cc2nnnn2C)C1 1189918331 PDJROWKGFCOYSX-RISCZKNCSA-N 308.386 -0.430 30 20 DBED Cc1noc(CN2C[C@@H](O)[C@H](NC(=O)CSCC#N)C2)n1 1191155903 DTCKPNVBGFQYQH-NXEZZACHSA-N 311.367 -0.704 30 20 DBED C=CCOCCCC(=O)N[C@@H]1CN(CC(=O)NCC)C[C@H]1O 1192054159 LXPRGPXGLAYCJM-CHWSQXEVSA-N 313.398 -0.733 30 20 DBED C=CCC(CC=C)C(=O)N[C@@H]1CN([C@@H]2CCNC2=O)C[C@H]1O 1193231831 NFCXEOUYLXWZFF-MGPQQGTHSA-N 307.394 -0.195 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(CCCCOC)C[C@H]1O 1193849924 RUGXPALCTUXTIK-OWCLPIDISA-N 323.437 -0.328 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@H](C)NC(=O)CC(C)(C)C)C1 1197723762 JPAXGYHSXHVJAJ-YNEHKIRRSA-N 309.410 -0.278 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)CO[C@@H](C)c2nccn2C)C1 1198233599 KXVLMFGZTCWLCJ-BFHYXJOUSA-N 320.393 -0.318 30 20 DBED C=CCNC[C@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)C2)CCCO1 1200911559 NGXCYSWGJCJMPB-OLZOCXBDSA-N 316.423 -0.186 30 20 DBED C#CCN1C[C@@H](NC(=O)CS(=O)(=O)NC(C)(C)C)[C@H](C)C1 1211105707 BXSGIYFXXXOILJ-VXGBXAGGSA-N 315.439 -0.226 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(CC(=C)Cl)C[C@H]1OC 1212139314 VYAOEAMZXVXMJC-VXGBXAGGSA-N 313.785 -0.306 30 20 DBED C#CCN1C[C@@H](NC(=O)CCNC(=O)c2ccco2)[C@H](OC)C1 1213825088 GGNKCYODQYOPQS-TZMCWYRMSA-N 319.361 -0.152 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2cnon2)C[C@H]1OC 1213961912 WANRDKTVWXMMCG-CYZMBNFOSA-N 310.354 -0.024 30 20 DBED C[C@@H]1CN(C(=O)C2CCOCC2)C[C@H]1NCC(=O)NCC#N 1214028975 WSFKNFPFCPNNND-DGCLKSJQSA-N 308.382 -0.511 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@H](C)n2cncn2)C[C@H]1C 1214454390 KSVMPKHBSNQNNL-FRRDWIJNSA-N 318.381 -0.975 30 20 DBED C[C@@H]1CN(C(=O)C2CCN(C)CC2)C[C@H]1NCC(=O)NCC#N 1215453728 PETDCFZNOAJWSZ-TZMCWYRMSA-N 321.425 -0.596 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2[C@@H](C1)OCCN2C(=O)CC1CC1 1217180924 VPBSXPSOPDZVRN-AEGPPILISA-N 319.405 -0.164 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H]2CN(CC(=O)NC(C)(C)C)C[C@@H]21 1217527786 HADVJUBVAOQYQI-RWMBFGLXSA-N 322.409 -0.028 30 20 DBED COCC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1c[nH]nc1C 1218396870 ULELTXXPXISRNR-LSDHHAIUSA-N 318.377 -0.107 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)COC[C@H]1CCOC1 1218708962 JVVFMWQOHYYTCK-SOUVJXGZSA-N 308.378 -0.416 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)/C=C/c2ccc[nH]2)C1 1219516961 LNEVNEWSCPRUMU-IHDARNGBSA-N 318.377 -0.509 30 20 DBED CCCC[C@H](C(N)=O)N1C[C@H](O)[C@H](NC(=O)C#CC2CC2)C1 1219594478 NDOAOPKKKUTZHK-MCIONIFRSA-N 307.394 -0.395 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)c2c(C)nnn2CC)C1 1219792216 AXJGINUXMYMHNE-OLZOCXBDSA-N 323.397 -0.416 30 20 DBED C=CCOCC(=O)N1C[C@H]2CCN([C@@H]3CCN(C)C3=O)C[C@H]21 1221443147 OLFKEGUKQNVRIE-MGPQQGTHSA-N 307.394 -0.048 30 20 DBED Cn1ncnc1COCC(=O)N1C[C@H]2CCN(CC#N)C[C@H]21 1221910538 IHVHZGYNMIGANE-VXGBXAGGSA-N 304.354 -0.612 30 20 DBED Cc1nonc1C(=O)N1CCC[C@H](NCC(=O)NCC#N)C1 1222104141 FVNYKNNUPGNWLA-JTQLQIEISA-N 306.326 -0.788 30 20 DBED CC#CCN1CCC(CNC(=O)CC[C@H]2NC(=O)NC2=O)CC1 1225378480 UIOIRVFDVWCMBX-CYBMUJFWSA-N 320.393 -0.174 30 20 DBED N#CCNC(=O)CN1CCC(NC(=O)CC2=CCOCC2)CC1 1229024607 LUFCGJLCUGMHNI-UHFFFAOYSA-N 320.393 -0.056 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)C[C@@H]1CCCO1 1230865722 HUPXSVGRGQNGOX-KGLIPLIRSA-N 307.394 -0.162 30 20 DBED C=CCNC(=O)CN1CC[C@H]1CN(C)C(=O)c1cnnn1C 1233991348 PUSRKUQBPHKJNL-NSHDSACASA-N 306.370 -0.736 30 20 DBED C=C(C)COCCNC(=O)C(=O)N1CC[C@H](n2cncn2)C1 1261164167 IJTCNXQJSXYLTB-LBPRGKRZSA-N 307.354 -0.240 30 20 DBED C[C@H](O)c1cn(CC(=O)OCC(=O)N[C@@](C)(C#N)C2CC2)nn1 1320107136 ITZAQPKFPLCZCU-XPTSAGLGSA-N 321.337 -0.317 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@H]1CC(=O)N(C(C)C)C1)[C@@H]1CCCO1 1323783543 ZUZHQNTZKVYNBT-AVGNSLFASA-N 321.377 -0.591 30 20 DBED C[C@@H]1CC(=O)NCCN1C(=O)C(=O)N1CCC[C@H](CC#N)C1 1328181240 NYUSBCXRZSOSKG-VXGBXAGGSA-N 306.366 -0.124 30 20 DBED C=CCOCCNC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1329455941 WDMGRJXSVSTSDF-CYBMUJFWSA-N 306.366 -0.496 30 20 DBED C=CCN(c1nnnn1CCOC)[C@@H]1CCS(=O)(=O)C1 1332488041 RANDEYCCOBVPBY-SNVBAGLBSA-N 301.372 -0.501 30 20 DBED CC[C@H](NC(=O)C(=O)Nc1cc(C)c(C#N)cn1)C(=O)NC 1332894435 QSAONFUHLIJRAS-JTQLQIEISA-N 303.322 -0.159 30 20 DBED C#C[C@@H](C)NC(=O)Cn1nc(C(=O)N[C@H](C)C#C)ccc1=O 1338449720 SWDOVDLJOYSKCZ-GHMZBOCLSA-N 300.318 -0.867 30 20 DBED CNC(=O)c1cccc(C(=O)[C@H](C#N)C(=O)NCCCOC)n1 1341899377 RBHHGTXFGWXEEU-JTQLQIEISA-N 318.333 -0.084 30 20 DBED C[C@H](NC(=O)C(=O)N1CC[C@@](F)(C#N)C1)c1nnnn1C1CC1 1351847900 KXRIZBPKJRFATI-ISVAXAHUSA-N 321.316 -0.351 30 20 DBED CC[C@@](COC)(NC(=O)[C@@H](C)n1cnc(C#N)n1)C(=O)OC 1361851668 IPBDRJKGYKSGRA-RNCFNFMXSA-N 309.326 -0.205 30 20 DBED N#CCc1ccccc1C(=O)N1C[C@H](C(N)=O)[C@@H](C(N)=O)C1 1363317073 PFUVSMOSOMWMST-RYUDHWBXSA-N 300.318 -0.589 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCN(C)C[C@@H]1CCS(=O)(=O)C1 1367511176 PSFJBRQXIUDKAF-RYUDHWBXSA-N 301.412 -0.029 30 20 DBED CN(CCNC(=O)[C@@H]1COC(=O)N1)C(=O)c1c[nH]c(C#N)c1 1373422877 CSQWJIXYWMPBIT-JTQLQIEISA-N 305.294 -0.817 30 20 DBED Cc1nnc(CN2CCN(CCNC(=O)[C@@H](C)C#N)CC2)o1 1376084034 YASAYZULAZKUKN-NSHDSACASA-N 306.370 -0.229 30 20 DBED C=C(Cl)CNC[C@@H](O)CN(C)C(=O)CCNC(=O)NC 1382416342 XGGAGOGNHRVRDO-SNVBAGLBSA-N 306.794 -0.533 30 20 DBED C[C@@H](C#N)C(=O)NC1CCN(C(=O)[C@H]2CCC(=O)N2C)CC1 1385451456 ROVMENRVEOMQJB-CMPLNLGQSA-N 306.366 -0.126 30 20 DBED C[C@@H](C#N)C(=O)NCCN1CCN(C(=O)[C@H]2CCCO2)CC1 1385534979 DZEBKGNBGXECJC-QWHCGFSZSA-N 308.382 -0.415 30 20 DBED CN(CCNC(=O)Cn1cccn1)C(=O)c1ccc(C#N)[nH]1 1386795211 PFYDGXBSGULYBM-UHFFFAOYSA-N 300.322 -0.029 30 20 DBED Cc1nn(C)c(C)c1OCC(=O)NC1CN(C(=O)[C@H](C)C#N)C1 1409055596 JKMYYOHBGCSLFV-SECBINFHSA-N 319.365 -0.098 30 20 DBED N#Cc1cn(CCC(=O)N2CCSC[C@@H]2C#N)c(=O)nc1O 1411979662 ZCGDMHCKBDPDFS-JTQLQIEISA-N 319.346 -0.322 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@]1(C)CCN(C(=O)c2cnnn2C)C1 1417365272 LWXGESHZPGRDCS-IINYFYTJSA-N 304.354 -0.057 30 20 DBED C[C@H](C#N)C(=O)NCCN1CCN(C(=O)c2cnsn2)CC1 1427705092 VSDVPRMTAQTQEU-SNVBAGLBSA-N 322.394 -0.428 30 20 DBED COC[C@H](O)CN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C#N)c[nH]1 1438170891 WOYCFBJSGOBHFW-RWMBFGLXSA-N 304.350 -0.208 30 20 DBED CN(CCNC(=O)c1cc(C#N)c[nH]1)C(=O)c1c[nH]c(=O)cn1 1455189592 BCURYHSNYYUWRI-UHFFFAOYSA-N 314.305 -0.528 30 20 DBED CS(=O)(=O)c1nnc(CN2CC[C@](O)(CC#N)C2)s1 1473583973 NIDGQADZILZQRO-SNVBAGLBSA-N 302.381 -0.208 30 20 DBED COCC(=O)N[C@H](C(=O)N1CC(NC(=O)[C@H](C)C#N)C1)C(C)C 1498384202 SZMFKQZLZGHGOA-MFKMUULPSA-N 324.381 -0.740 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](Nc2nccnc2-c2nn[nH]n2)C1 1573565284 PTQOHRXPIVZECC-DTWKUNHWSA-N 313.325 -0.171 30 20 DBED C#CC[C@]1(C(=O)N(C)Cc2nnc3c(=O)[nH]ccn23)CCCN1 1574504356 HKDSIRVSIMRCGB-OAHLLOKOSA-N 314.349 -0.479 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(CCc2cnn[nH]2)C[C@@H]1O 1575110490 RECXUTZSZBPWRP-OLZOCXBDSA-N 309.370 -0.899 30 20 DBED C[C@@H](C#N)C(=O)N(C)C1CC(NCC(=O)NCc2cnn[nH]2)C1 1575166597 DNCISGJIMUTPSS-BMQDGWLCSA-N 319.369 -0.840 30 20 DBED C#CCN(CC(=O)O)C(=O)CCCn1cnc2c(N)ncnc21 1588402559 XJVZZCCHCZNDKT-UHFFFAOYSA-N 316.321 -0.265 30 20 DBED C=CCN([C@H]1CCS(=O)(=O)C1)[C@H]1CCN(CC(=O)O)C1=O 1588463208 CUDULYUYKQITLF-QWRGUYRKSA-N 316.379 -0.653 30 20 DBED C#CCO[C@H](C)C(=O)N(CCN1CCN(C)CC1)CC(=O)O 1588490407 MKAJPKDVNRLSOA-CYBMUJFWSA-N 311.382 -0.815 30 20 DBED C=C[C@H](O)C(=O)OCc1cc(O)n2ncc(-c3nn[nH]n3)c2n1 1588526437 WHXKLPDESWRGHS-QMMMGPOBSA-N 317.265 -0.795 30 20 DBED C=C(CCC(=O)O)C(=O)N1CC[C@@H](CNS(C)(=O)=O)C1 1588614664 ZFIPXCPOWGWZRO-JTQLQIEISA-N 304.368 -0.195 30 20 DBED N#Cc1ncc(NC[C@H]2CSCCN2)nc1-c1nn[nH]n1 1592710742 XKDMMTIIYCVUII-ZETCQYMHSA-N 303.355 -0.355 30 20 DBED N#CC1(C(=O)NCCOCCOCC(=O)O)CCOCC1 1594601749 QJZJFNFUPLAUHN-UHFFFAOYSA-N 300.311 -0.459 30 20 DBED COCC#CCN1CC2(C1)CN(C(=O)[C@H]1C[C@H]1C(=O)O)CCO2 1599139083 SPZPDYDKIWEBAG-QWHCGFSZSA-N 322.361 -0.730 30 20 DBED N#CCCN1CCN(CC(=O)N2CCC(C(=O)O)CC2)CC1 1601067652 DHXBKJFPCSRKJB-UHFFFAOYSA-N 308.382 -0.159 30 20 DBED CCOC(=O)C[C@@H](O)Cn1c(C)nc(-c2nn[nH]n2)c1C#N 1604371175 ARTDADZSMKWIRB-MRVPVSSYSA-N 305.298 -0.443 30 20 DBED N#Cc1ccc(S(=O)(=O)N2C[C@H]3COC[C@@]3(C(=O)O)C2)cn1 1605611697 CQFLOUUIKHESDV-ZANVPECISA-N 323.330 -0.325 30 20 DBED COC(=O)CN(CC(=O)O)C(=O)[C@H](O)c1ccc(C#N)cc1 1606464053 MYJOMYAOXQPNSQ-CYBMUJFWSA-N 306.274 -0.322 30 20 DBED N#CC1(CNC(=O)CN2CCCCS2(=O)=O)CCOCC1 1650219674 ZYZYEICDPRFOTD-UHFFFAOYSA-N 315.395 -0.151 30 20 DBED COC[C@@H](O)CN1C[C@H]2CN(C(=O)CSCC#N)C[C@H]2C1 1672404743 IZFWVSASZBAXNI-XQQFMLRXSA-N 313.423 -0.359 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1C[C@@H](NC(=O)c2cc(OC)no2)C1 1752751927 SRVKSAREJXNKEQ-MXWKQRLJSA-N 320.349 -0.329 30 20 DBED C#CCNC(=O)CN1CCC[C@H](CNC(=O)c2cn[nH]c2)C1 1752780059 ZXZSAJKXMWEHEH-GFCCVEGCSA-N 303.366 -0.399 30 20 DBED C#CCNC(=O)[C@H](C)NCCN(C)C(=O)c1csc(O)n1 1753222221 RQQOZFHLIFEHHG-VIFPVBQESA-N 310.379 -0.352 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC(NC(=O)c2coc(OC)n2)C1 1753381924 BBLNWGXCIOKQJJ-SECBINFHSA-N 308.338 -0.212 30 20 DBED COCC#CCN1CC(CNC(=O)c2ccc(=O)n(C)c2)C1 1753406510 ZFYQQBDPTMDLSJ-UHFFFAOYSA-N 303.362 -0.303 30 20 DBED C=CCNC(=O)CNC[C@@H](C)N(C)C(=O)Cc1cncn1C 1753721007 KPTFLPCWOZPVTO-GFCCVEGCSA-N 307.398 -0.299 30 20 DBED C#CCCNC[C@H](O)CNC(=O)Cn1ccc(C(F)(F)F)n1 1753934923 FZTALUCLWCKXCI-JTQLQIEISA-N 318.299 -0.008 30 20 DBED COc1cc(C(=O)N[C@]2(C)CCN(CC(=O)NCC#N)C2)on1 1754672586 LAIUSHCRXIOFBK-CQSZACIVSA-N 321.337 -0.483 30 20 DBED C#CCCNC[C@]1(C)CCN(C(=O)CN(C)S(C)(=O)=O)C1 1754697453 PYJCSRCCDQYMTH-AWEZNQCLSA-N 315.439 -0.271 30 20 DBED C#CCNC(=O)CN1C[C@H]2CN(C(=O)c3cc[nH]n3)C[C@H]2C1 1754841203 MXXHPGMKSLGFOI-TXEJJXNPSA-N 301.350 -0.837 30 20 DBED CC(C)C#CC(=O)NC[C@H]1COCCN1CC(=O)NC(C)C 1754967729 NZRCGEQSKDJXID-AWEZNQCLSA-N 309.410 -0.013 30 20 DBED C#CCN1CC2(C1)CN(C(=O)CCCn1cncn1)CCO2 1755060628 LGACKPPCSGDRCH-UHFFFAOYSA-N 303.366 -0.395 30 20 DBED C#CCN[C@@]1(CO)CCCN(C(=O)c2cnn3c2OCCC3)C1 1755085803 MIJIJCCCXIXNAO-INIZCTEOSA-N 318.377 -0.145 30 20 DBED CCNC(=O)CC(=O)N1CCC2(CC1)CN(CC#N)CCO2 1755174570 UYAMTJHYPFIDAX-UHFFFAOYSA-N 308.382 -0.270 30 20 DBED C#CCCN[C@H]1C[C@@H](C)N(C(=O)CNS(=O)(=O)CC)C1 1755676915 SPLAEWCFCJWFTB-NEPJUHHUSA-N 301.412 -0.472 30 20 DBED CC#CCNC[C@@H]1CC[C@H](NC(=O)CS(=O)(=O)NC)C1 1755750181 SKEHBPNPNUUYNY-NEPJUHHUSA-N 301.412 -0.567 30 20 DBED C=CCNC(=O)CNC[C@H](O)CN(C)C(=O)c1n[nH]cc1C 1755776556 AUAHTAIAAXCIGV-NSHDSACASA-N 309.370 -0.957 30 20 DBED C#CCNC(=O)CN(C)C[C@@H](O)CN(C)C(=O)Cc1ccoc1 1755799808 BFAHGUCCSPROEE-CQSZACIVSA-N 321.377 -0.677 30 20 DBED C[C@H](NC(=O)CSCC#N)[C@@H](C)NC(=O)c1c[nH]c(=O)cn1 1755963322 AMSOWPVEUSCGLA-DTWKUNHWSA-N 323.378 -0.350 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](C)N(C)C(=O)CCN1C(=O)CCC1=O 1756063341 JPFFBTSYBHSHTP-WDEREUQCSA-N 322.365 -0.352 30 20 DBED CNC(=O)CC(=O)N1C[C@@H]2C(CNC(=O)C#CC3CC3)[C@H]2C1 1756197923 NHYDBDCNLBBSEO-CHWSQXEVSA-N 303.362 -0.644 30 20 DBED C#CCOCCC(=O)N(C)C[C@@H](O)CNC(=O)c1ccn(C)n1 1756662677 IRJACSMURYWPPW-LBPRGKRZSA-N 322.365 -0.991 30 20 DBED CC(C)C#CC(=O)N(C)C[C@@H](O)CNC(=O)[C@H]1CC(=O)N(C)C1 1756663621 WIHKCNAXTWTQEN-STQMWFEESA-N 323.393 -0.940 30 20 DBED C=C[C@](C)(CC)C(=O)N(C)C[C@H](O)CNC(=O)Cn1cncn1 1756675763 JFNSOQJLXYGTRN-IUODEOHRSA-N 323.397 -0.184 30 20 DBED C=CCO[C@H](C)C(=O)NC1CC(N(C)C(=O)Cn2cncn2)C1 1756749782 CHMYYXILAPGBPX-PNESKVBLSA-N 321.381 -0.025 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1CN(C(=O)[C@@]2(C)CCNC2=O)C[C@H]1O 1757022173 LLLASJUTOWLVFB-UVWXRNBGSA-N 323.393 -0.587 30 20 DBED C=CCCCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCNC(=O)C2)C[C@H]1O 1757029079 WQVBRARVHYIWDZ-JHJVBQTASA-N 323.393 -0.443 30 20 DBED C=CCCCC(=O)N[C@@H]1CN(C(=O)[C@H]2COC(=O)N2)C[C@@H]1O 1757205206 PGTUQHQAOVYPRS-MXWKQRLJSA-N 311.338 -0.861 30 20 DBED C=CCOCC(=O)N[C@H]1C[C@@H](CNC(=O)c2nnn(C)n2)C1 1757327464 ZMDLBLIRTSTZMR-AOOOYVTPSA-N 308.342 -0.963 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CCCN(C)C1)CCO2 1783053363 ZAQPWBSVEHMQLW-RHSMWYFYSA-N 319.405 -0.209 30 20 DBED C#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)CNC(C)=O)CCO2 1785424883 BKGNCURTYQWUFJ-MRXNPFEDSA-N 321.377 -0.634 30 20 DBED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)NC(C)=O)[C@H]2C1 1790869184 YDROMEPOUZPKBI-PYJNHQTQSA-N 321.377 -0.876 30 20 DBED C=CC[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](N)CN 1796342892 UKQWVCIWBQBTHC-HPCHECBXSA-N 324.425 -0.926 30 20 DBED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1C[C@H]1F)CCO2 1839099630 MECHYWLMIHWNNG-YWPYICTPSA-N 310.325 -0.566 30 20 DBED C#CCNC(=O)COC(=O)c1ccc(OCC(N)=O)c(OC)c1 10905753 YZKJCETXCAJQLZ-UHFFFAOYSA-N 320.301 -0.535 30 20 DBED CO[C@]1(C/N=C(/N)N2CCN(c3ncccn3)CC2)CCOC1 262659595 LIPSVSYGCHVFGU-HNNXBMFYSA-N 320.397 -0.281 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@@H](O)[C@H](CC)C2)C1=O 270661262 RXGVVQMLXJQFJN-NXEZZACHSA-N 309.322 -0.808 30 20 DBED CC1(C#N)CN(C(=O)CNC(=O)CNC(=O)OC(C)(C)C)C1 280538584 SODGTIPAKLBESR-UHFFFAOYSA-N 310.354 -0.001 30 20 DBED COCCN(CCN(C)C)C(=O)NCCn1cnc(C#N)n1 287908931 PZGCPKYMWDYEPQ-UHFFFAOYSA-N 309.374 -0.631 30 20 DBED O=C1CCC(=O)N1CC/N=C(/O)N1CCC[C@H](n2cncn2)C1 329794823 CIGFWGFEZSTLRE-NSHDSACASA-N 320.353 -0.022 30 20 DBED Cn1ccc(/C(O)=N/C[C@@](C)(O)CN2CCOCC2)cc1=O 329854280 WGHNLLAUEWHDQR-OAHLLOKOSA-N 309.366 -0.227 30 20 DBED CN1CCO[C@H]2CN(C(=O)Nc3ccn(CCC#N)n3)C[C@H]21 329970197 UWDSOEGKZFSSRR-NEPJUHHUSA-N 304.354 0.343 30 20 DBED CN1CC[C@@]2(CCN(/C(O)=N/CCN3C(=O)CN=C3O)C2)C1 330201825 YKBXXLXYKCUQMM-CQSZACIVSA-N 309.370 -0.316 30 20 DBED Cn1cc(CCCNS(=O)(=O)N2CCO[C@@H](C#N)C2)cn1 337063025 IFQRFHVLUCCYFP-LBPRGKRZSA-N 313.383 -0.589 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N1[C@H]2CC[C@H]1CC(=O)NC2 337778966 RRPYNGPOBVJHID-DCAQKATOSA-N 300.384 -0.182 30 20 DBED CC(C)n1cc(C#N)c(NC(=O)C(=O)NCC(F)(F)CO)n1 344112868 AWAHCBNXEIVQQX-UHFFFAOYSA-N 315.280 0.018 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)N[C@H](CO)[C@@H]2CCCO2)cc1 344944452 PDFRPRVRFRCYDP-KGLIPLIRSA-N 317.345 -0.056 30 20 DBED CC(C)NS(=O)(=O)CCCS(=O)(=O)N(C)[C@@H](C)C#N 349598631 FLXCYHYNMAMGNA-JTQLQIEISA-N 311.429 -0.122 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)c2nnn(C)c2C)CC1 357051330 NAXLBFBDIOOCFZ-UHFFFAOYSA-N 306.370 -0.816 30 20 DBED CC(C)n1cc(C#N)c(NC(=O)C(=O)N(CCO)C2CC2)n1 359142526 LHRINNPTDZYRAL-UHFFFAOYSA-N 305.338 0.257 30 20 DBED C=CCn1cc(CNC(=O)C(=O)NCCC(C)(C)C(=O)O)nn1 424489969 SSBFPUXDZSCWBD-UHFFFAOYSA-N 323.353 -0.303 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2nc(C)oc2C)CC1 491120744 NJFGETYCUAXALD-UHFFFAOYSA-N 304.350 -0.201 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CC23CCOCC3)CC1 491220708 PQKKGGXFKNBZTC-CQSZACIVSA-N 319.405 -0.303 30 20 DBED C#CCn1ccc(CN(CC)CC(=O)N[C@@H](C)C(=O)N(C)C)n1 491360052 CRODXODRPRQMCB-ZDUSSCGKSA-N 319.409 -0.069 30 20 DBED CN1C[C@H](N(C)C(=O)CNc2ccc(C#N)cn2)CCC1=O 570105644 ACXQFAKCYXCPDA-GFCCVEGCSA-N 301.350 0.444 30 20 DBED CC[C@H](CC#N)NCC(=O)NCCCN(C)S(C)(=O)=O 582794142 DFUVATMMAOGMSR-LLVKDONJSA-N 304.416 -0.334 30 20 DBED CCN(CC(N)=O)C(=O)CNS(=O)(=O)c1cccc(C#N)c1 589492904 IMGBVAPSCGUMBC-UHFFFAOYSA-N 324.362 -0.830 30 20 DBED C[C@@H](NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N)C(=O)O 595237934 KSRQEWWPAQRMNT-SSDOTTSWSA-N 307.310 0.038 30 20 DBED COC(=O)c1c(F)cccc1S(=O)(=O)NCC#CCO 601456832 ZKHCEJWOKPVXQC-UHFFFAOYSA-N 301.295 -0.114 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N1CC2(C1)CS(=O)(=O)C2 603373022 YFFQKEDFZMKHQG-VIFPVBQESA-N 307.397 -0.804 30 20 DBED C=C1CCN(C(=O)c2nc(N3CCOCC3)nc(=N)[nH]2)CC1 651263929 ULORFFHNIFFFGO-UHFFFAOYSA-N 304.354 -0.087 30 20 DBED Cc1cc(F)c2c(c1)C(=NNC(=S)NCC(N)=O)C(=O)N2 731930134 SDLURCJKEUDOCO-UHFFFAOYSA-N 309.326 -0.260 30 20 DBED CCN(CC)S(=O)(=O)N1CCN(C(=O)[C@H](C)C#N)CC1 733887321 XAHCKGYZEDARRN-LLVKDONJSA-N 302.400 -0.123 30 20 DBED CN1C[C@@H](NC(=O)NCCNc2ncccc2C#N)CC1=O 750637018 HKVJMXAYSGDUEH-NSHDSACASA-N 302.338 -0.105 30 20 DBED C[C@@H]1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)[C@@H]([C@@H](C)O)C1 800123837 PZIYNQDIYGQHBW-FDYHWXHSSA-N 317.411 -0.063 30 20 DBED C#CCCCS(=O)(=O)N1CC(n2cc(C(=O)OC)nn2)C1 805058778 AHIDPLBYQSXUPX-UHFFFAOYSA-N 312.351 -0.335 30 20 DBED C#CCCCNC(=O)C(=O)N1CC[C@@H](NC(=O)NC2CC2)C1 806910984 GLNZVLWCTUQTNE-GFCCVEGCSA-N 306.366 -0.422 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N[C@H]1CCn2ccnc2C1 829278975 HMVUVMWYNXMJEV-ZDUSSCGKSA-N 318.377 -0.188 30 20 DBED N#C[C@H]1CNC[C@@H]1NC(=O)CN1C(=O)NC2(CCCC2)C1=O 834506185 QHOXCSCMLJVWSR-UWVGGRQHSA-N 305.338 -0.921 30 20 DBED CC#CC[C@H](CO)NC(=O)Cc1ccc(S(N)(=O)=O)cc1 844117091 BJMWIGGVBRBWCB-GFCCVEGCSA-N 310.375 -0.233 30 20 DBED N#Cc1ccnc(N2CCN(C(=O)COCC(=O)O)CC2)c1 844243915 PEXWYXRDDADPRP-UHFFFAOYSA-N 304.306 -0.297 30 20 DBED C#CCN(CC#CC)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)OC 875991004 WHUKGKXGGMROCD-RYUDHWBXSA-N 307.350 -0.279 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)O[C@H]2CCOC2)CC1 914129962 IQAVHIWDRUJVHM-ZDUSSCGKSA-N 309.366 -0.331 30 20 DBED C=CCNC(=O)[C@H](C#N)C(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O 916921458 SXVJVFNFCQPJFJ-BMIGLBTASA-N 318.333 -0.282 30 20 DBED C=CCCN1CCOC2(CCN(C(=O)[C@@H]3CNC(=O)N3)CC2)C1 949454072 BNCLGNZEQHGUFB-ZDUSSCGKSA-N 322.409 -0.063 30 20 DBED C[C@@H]1CN(C)C[C@H](C(=O)NC[C@@H]2CCN2C(=O)C#CC2CC2)O1 950788089 CLENUQNHJTXPDJ-VHDGCEQUSA-N 319.405 -0.164 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1cnn[nH]1 952179093 RMLWLZSCQTUCOJ-FOGDFJRCSA-N 305.338 -0.274 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H]1C1CCN(C(=O)C(N)=O)CC1 953485424 IDDGVZPBTSWLNQ-JQWIXIFHSA-N 306.366 -0.139 30 20 DBED CN(C(=O)c1ccc(C#N)[nH]1)C1CN(C(=O)c2ncn(C)n2)C1 954079932 MRVYLEHRCWUPHY-UHFFFAOYSA-N 313.321 -0.389 30 20 DBED C=C(Cl)CN1CCN(C(=O)CN2CCC(=O)NC2=O)CC1 957095295 OQNFGKCYBGVFAS-UHFFFAOYSA-N 314.773 -0.175 30 20 DBED Cn1nncc1CN1C[C@@H]2C(NC(=O)c3cc(C#N)c[nH]3)[C@H]2C1 958499393 CIIFRNPDJOGOQX-RYUDHWBXSA-N 311.349 -0.125 30 20 DBED C=C1CC(C)(C(=O)N(C)[C@H]2CN(C(=O)c3nc[nH]n3)C[C@@H]2O)C1 958952407 UKUJCDQZZNWXKF-QWRGUYRKSA-N 319.365 -0.195 30 20 DBED C[C@@H]1CN(C(=O)CC(N)=O)C[C@@H]1CNC(=O)c1c[nH]c(C#N)c1 959408463 DOJTYPJROSCIBW-KOLCDFICSA-N 317.349 -0.414 30 20 DBED C#CCN1CCC(C(=O)N[C@H]2[C@@H]3CN(CC(=O)NC)C[C@@H]32)CC1 962771643 HOKDXEHXIIUDGV-FOLVSLTJSA-N 318.421 -0.876 30 20 DBED CCN(C(=O)c1cc(=O)n(C)o1)C1CN(C(=O)[C@@H](C)C#N)C1 967908600 RRJJUKCRTZJQIW-VIFPVBQESA-N 306.322 -0.189 30 20 DBED C=CCn1cc(C(=O)N2CC[C@@H](N[C@H]3CCNC3=O)C2)nn1 970203627 DSERKCHRNKSPDS-MNOVXSKESA-N 304.354 -0.843 30 20 DBED N#CCN1CCO[C@]2(CCN(C(=O)CN3CCOCC3)C2)C1 972343595 QFZUKMBMALEUEH-OAHLLOKOSA-N 308.382 -0.855 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)Cc3cn(CC)nn3)C2)C1 972479218 RGPNOVUIXHENPK-MRXNPFEDSA-N 317.393 -0.223 30 20 DBED CC(=O)N1CC[C@H](C(=O)N2CC[C@@]3(CN(CC#N)CCO3)C2)C1 972657234 YIEDCIULNBGZEK-GOEBONIOSA-N 320.393 -0.318 30 20 DBED CC1(C)CN(CC#N)C[C@@H]1NC(=O)CN1CCCS1(=O)=O 974650120 ASZSMKKJCNJOAF-NSHDSACASA-N 314.411 -0.628 30 20 DBED C=C(C)CN1C[C@@H](NC(=O)CN2CCNC(=O)C2)C(C)(C)C1 974907603 AQMOBUBVYAAJSU-CYBMUJFWSA-N 308.426 -0.179 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)c3cn(C)c(O)n3)C[C@H]21 974969914 LBMQNLHRUPXTBB-CKYFFXLPSA-N 317.349 -0.042 30 20 DBED CN(C[C@H]1CCN1C(=O)c1cnn[nH]1)C(=O)c1ccc(C#N)[nH]1 977563183 CAVKHIVNLOZSGM-SNVBAGLBSA-N 313.321 -0.009 30 20 DBED C=CCn1cc(C(=O)N(C)C[C@H]2CCN2C(=O)CC(N)=O)nn1 977728098 AZZIWANSCKJXIU-SNVBAGLBSA-N 320.353 -0.988 30 20 DBED C=CCN(C)C1CCN(C(=O)Cn2cnc(C(N)=O)n2)CC1 985438019 HQKAKKPRNKSPHA-UHFFFAOYSA-N 306.370 -0.514 30 20 DBED C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)CN2CCNC(=O)C2)C1 989293515 GVPKZSMBWBJTKZ-VXGBXAGGSA-N 314.817 -0.250 30 20 DBED C#CCN[C@H]1C[C@H](C)N(C(=O)CCn2cc[nH]c(=O)c2=O)C1 989561492 DZHJPKQGBCNMAV-RYUDHWBXSA-N 304.350 -0.861 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NC1CN(C(=O)c2cnn[nH]2)C1 992079456 YAYZANKWQXIHBY-PWSUYJOCSA-N 305.338 -0.274 30 20 DBED C=CCN[C@@H]1CCC[C@H]2CN(C(=O)Cn3ncn(C)c3=O)C[C@H]21 992746425 WSKFBBUGMLBMLA-BFHYXJOUSA-N 319.409 -0.016 30 20 DBED CCN(C(=O)[C@@H]1CC(=O)NC(=O)N1)[C@H]1CCCN(CC#N)CC1 998137402 ZBBYTWBITHXTQQ-RYUDHWBXSA-N 321.381 -0.189 30 20 DBED C#CCNC1CC(N(C)C(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 998761411 MYCFHXPEACWGQH-HIFPTAJRSA-N 315.377 -0.025 30 20 DBED C#CCN[C@@H]1CCCN(C(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 999843909 XRDZJGYZXXBVAW-LLVKDONJSA-N 314.353 -0.479 30 20 DBED N#CCOc1ccc(CN2CC[C@H](NC(=O)C(N)=O)C2)cc1 1015638151 ZDXIOZLNLNOFCY-LBPRGKRZSA-N 302.334 -0.235 30 20 DBED C#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(S(N)(=O)=O)o1 1017706129 JCCPXPDAOYQVNH-PHIMTYICSA-N 323.374 -0.151 30 20 DBED C#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1C[C@H](OC)CN1C(C)=O 1017771021 AZGJMTYDRGJWAN-XUWVNRHRSA-N 319.405 -0.069 30 20 DBED O=C(C[C@H]1COC(=O)C1)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1023407773 QPVMAFFEYRHLEK-JHJVBQTASA-N 320.345 -0.959 30 20 DBED COc1cc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2O)on1 1023470936 YEBAZAXKXJKXJG-IWSPIJDZSA-N 308.294 -0.856 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1[C@@H]2CN([C@@H](C)C(=O)NC)C[C@@H]21 1025814124 YYWLOUDJZOWSQH-SBJFKYEJSA-N 318.421 -0.735 30 20 DBED C=CCCn1cc(C(=O)N2CCC[C@@H](N(C)CC(N)=O)C2)nn1 1027611958 YTNHIZQWVNFGDC-GFCCVEGCSA-N 320.397 -0.124 30 20 DBED CC#CCN1CCC[C@@H]1CNC(=O)[C@@H]1COCCN1C(C)=O 1028327118 UFJVWDZCESLVPA-CABCVRRESA-N 307.394 -0.162 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CN([C@@H]2CCC(=O)NC2=O)C1 1031088158 MBRSFLOUKNWYSQ-SCRDCRAPSA-N 321.377 -0.427 30 20 DBED CC#CCN1CCCC[C@@H](NC(=O)Cn2ccc(O)nc2=O)C1 1034302146 PPTMKUXYWJFMID-CYBMUJFWSA-N 318.377 -0.057 30 20 DBED COCC(=O)N1CC[C@H]2OCCN(c3ccnc(C#N)n3)[C@@H]2C1 1039989563 GLZFXJBWIDENSL-VXGBXAGGSA-N 317.349 -0.199 30 20 DBED C=CCCC(=O)N1CC[C@](O)(CNC(=O)c2cnn(C)n2)C1 1040303650 XJXFNCRLADQHLO-AWEZNQCLSA-N 307.354 -0.526 30 20 DBED C=C[C@H](CC)CC(=O)N1CC(O)(CNC(=O)c2cn(C)nn2)C1 1042885490 MZXFXRBPDNIJPQ-LLVKDONJSA-N 321.381 -0.280 30 20 DBED CCOCCOCC(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042964283 BZJPXWZFZKKFRC-UHFFFAOYSA-N 324.377 -0.858 30 20 DBED C=CCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCN(C)C2)C1 1043116812 QZXMTKZTSWFBBC-CYBMUJFWSA-N 309.410 -0.016 30 20 DBED Cc1ncn(C)c1C(=O)NCC1(O)CN(C(=O)[C@@H](C)C#N)C1 1043475172 ABAAACPZPXKEEV-VIFPVBQESA-N 305.338 -0.809 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)c2ncc(F)cc2F)C1 1043779552 IOVHQMISQPGWIW-QMMMGPOBSA-N 324.287 -0.177 30 20 DBED N#Cc1c[nH]c(C(=O)N2CCC[C@H]2CN[C@@H]2CCNC2=O)c1 1044983938 SMIKUTCHSXEPSO-NWDGAFQWSA-N 301.350 -0.031 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)c2nc(C)oc2C)C1 1045251737 CFYWIOPIYHHJGV-UHFFFAOYSA-N 323.349 -0.203 30 20 DBED CO[C@H](CC(C)C)C(=O)N1CC(O)(CNC(=O)[C@@H](C)C#N)C1 1045550957 CJTWSOPPQUAUTH-NWDGAFQWSA-N 311.382 -0.103 30 20 DBED CC1(NC(=O)[C@@H]2CCS(=O)(=O)N2)CCN(CC#N)CC1 1045642890 QZXFDQQCXTYRJH-JTQLQIEISA-N 300.384 -0.828 30 20 DBED N#CCN1CC[C@@H](N2CCN(C(=O)CCc3nc[nH]n3)CC2)C1 1046016608 DVAIOPXUWRZHDA-CYBMUJFWSA-N 317.397 -0.521 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2COCCN2CC)C1 1047434668 WUITVBDWMHVIHD-ZNMIVQPWSA-N 309.410 -0.766 30 20 DBED CN(C(=O)c1c[nH]nc1[C@H]1CCOC1)[C@H]1CN(CC#N)C[C@@H]1O 1047470853 DGLAGXDHZYLYSF-DRZSPHRISA-N 319.365 -0.446 30 20 DBED C#CCCN1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1ncn(C)c1=O 1049560310 CPOBDQJGLNYKBC-ZIAGYGMSSA-N 317.393 -0.330 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)CN1CCOCC1=O)C2 1050548350 RPPYSRQBAWOOOR-UHFFFAOYSA-N 305.378 -0.597 30 20 DBED CN1CCN(CC(=O)N2CC3(CCN(CC#N)CC3)C2)CC1=O 1050574961 IUCFKALMUBKAAD-UHFFFAOYSA-N 319.409 -0.792 30 20 DBED N#CCN1CCOC[C@@H]1CNC(=O)c1cn(C2CCC2)nn1 1050920898 MGVUETIXDRMNSG-LBPRGKRZSA-N 304.354 -0.043 30 20 DBED CCc1cc(CC(=O)N2CCOC3(CN(CC#N)C3)C2)n(C)n1 1053352962 YQTGCYDDEREPBA-UHFFFAOYSA-N 317.393 -0.038 30 20 DBED C=C(Cl)CN[C@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@H]1C 1054968961 NACAPJNAQSBSBE-PWSUYJOCSA-N 314.817 -0.393 30 20 DBED C[C@H](C#N)C(=O)N[C@@]1(CO)CCCN(C(=O)CC(=O)N(C)C)C1 1056097406 PRAQHEPBHYTOFC-ABAIWWIYSA-N 324.381 -0.906 30 20 DBED N#Cc1nccnc1N1C[C@H]2[C@H](NC(=O)[C@@]34COC[C@@H]3C4)[C@H]2C1 1056451680 XFNJXYCWDLTRJF-CTSUJBPDSA-N 311.345 -0.064 30 20 DBED N#Cc1nc(=N[C@@H]2CCN(C(=O)c3cncnc3O)C2)cc[nH]1 1056722732 WNSANMUSPXEKRW-SECBINFHSA-N 311.305 -0.408 30 20 DBED C=C[C@@H](C)[C@@H](C)C(=O)NCCN(CCO)C(=O)CNC(C)=O 1056817304 MOYKHMNLFYIWHL-VXGBXAGGSA-N 313.398 -0.482 30 20 DBED CN(c1ccc(C#N)nn1)[C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1 1056872867 BASKZBWOTHPWJX-VXGBXAGGSA-N 314.349 -0.336 30 20 DBED C=CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)c1cc(C)[nH]n1 1057106117 FMGGBSSLEVOXJT-LBPRGKRZSA-N 324.381 -0.140 30 20 DBED CCc1ocnc1C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N 1057248732 DHCXDSGENIEZRF-JTQLQIEISA-N 308.338 -0.053 30 20 DBED COc1cc(C(=O)N(CCO)CCNC(=O)C#CC2CC2)on1 1057397659 BBGMPZQBJMESSX-UHFFFAOYSA-N 321.333 -0.353 30 20 DBED C[C@H]1CN(C)C[C@@H]1C(=O)NCCN(CCO)C(=O)C#CC1CC1 1057535581 BXJWZYPYUJCKHR-ZFWWWQNUSA-N 321.421 -0.465 30 20 DBED C#CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)CCCOC 1057583110 HDYVGHMNYLOCJN-ZDUSSCGKSA-N 314.382 -0.612 30 20 DBED Cc1ccnn1CC(=O)N(CCO)CCNC(=O)C#CC1CC1 1057613495 SAMLOLHYIIFAHT-UHFFFAOYSA-N 318.377 -0.458 30 20 DBED N#Cc1cnc(N2CCC[C@H](NC(=O)[C@@H]3CCC(=O)N3)C2)cn1 1058180774 VOVFCXSPUOJPBX-JQWIXIFHSA-N 314.349 -0.288 30 20 DBED N#Cc1ccc(N2CC[C@@H](NC(=O)c3cnnc(O)c3)C2)nn1 1058472941 KZPZQFMBZCIUTG-LLVKDONJSA-N 311.305 -0.147 30 20 DBED C#CCO[C@H](C)C(=O)NCCN(CCO)C(=O)C1(CF)CC1 1058781362 YYTWRNSMKABOEN-GFCCVEGCSA-N 314.357 -0.289 30 20 DBED N#Cc1ccc(N[C@H]2C[C@H](NC(=O)C[C@H]3CCNC3=O)C2)nn1 1059324348 LMYVCUSSWVRCHL-YUSALJHKSA-N 314.349 -0.066 30 20 DBED C=CCOCC(=O)NCC[C@@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 1060060497 CSLJANBBUMCEAW-CHWSQXEVSA-N 323.393 -0.320 30 20 DBED N#Cc1cnccc1N1CCC[C@H]1CNC(=O)[C@@H]1CNC(=O)N1 1061440395 DVNKGRUHEMKSQM-RYUDHWBXSA-N 314.349 -0.280 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)CCc1nc[nH]n1 1061484914 XDXPSOIYNAHQNF-QWRGUYRKSA-N 320.353 -0.759 30 20 DBED C#CCCCC(=O)NC[C@@H]1COCCN1C(=O)c1cnnn1C 1061539595 AHPXUMNHTBCOPC-GFCCVEGCSA-N 319.365 -0.424 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@@H]1COCCN1C(C)=O 1061582242 HZKLWYIGTLXNTG-ZIAGYGMSSA-N 311.382 -0.179 30 20 DBED C#CCO[C@H](C)C(=O)N1CCCC[C@@H]1CNC(=O)c1nc[nH]n1 1062213208 NYBSUBOFVYEZQE-VXGBXAGGSA-N 319.365 -0.046 30 20 DBED N#CCSCC(=O)NCC1(NC(=O)[C@H]2CCNC2=O)CCC1 1062579455 NBVYURHJYIAPBP-JTQLQIEISA-N 324.406 -0.466 30 20 DBED N#Cc1cnc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)C2=COCCO2)cn1 1064212168 GDNUKQGJHASXPN-PUYPPJJSSA-N 313.317 -0.070 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)Cn2cccn2)CCO1 1064855546 XBTHYXATDZUHSJ-CQSZACIVSA-N 318.377 -0.114 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)C#CC2CC2)CCO1 1065134941 OQVIYJYIVWQZMN-CQSZACIVSA-N 306.362 -0.054 30 20 DBED CC(C)C#CC(=O)N[C@H]1CCCN(C(=O)[C@@H]2CNC(=O)N2)CC1 1066147258 HGZWITCPADWBIE-STQMWFEESA-N 320.393 -0.176 30 20 DBED CNC(=O)NCC(=O)N1CCC[C@@H](NC(=O)[C@@H](C)C#N)CC1 1066481209 LDALXWDKTBJCRI-WDEREUQCSA-N 309.370 -0.428 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)CCCN(C)C(=O)Cn1ncnn1 1067430350 DOTFASHPDBZXDP-LBPRGKRZSA-N 322.369 -0.982 30 20 DBED N#Cc1nccc(N2C[C@@H](O)[C@@H](CNC(=O)c3cccnc3)C2)n1 1067643455 WTIZBXQKAFFSFP-QWHCGFSZSA-N 324.344 -0.030 30 20 DBED N#Cc1nccnc1N1C[C@H](CNC(=O)c2cc[nH]c2)[C@@H](O)C1 1067695497 LKIBCDSOUWMJFJ-AAEUAGOBSA-N 312.333 -0.097 30 20 DBED N#Cc1nccnc1N1C[C@H]2CC[C@H]1CN2C(=O)c1nc[nH]n1 1068048107 IEBNTSOEISRUPL-VHSXEESVSA-N 310.321 -0.040 30 20 DBED C=C[C@@](C)(CC)C(=O)N[C@@H]1COC2(C1)CN(C(=O)CC(N)=O)C2 1069016561 BIAVEIAJAMHHBE-NHYWBVRUSA-N 323.393 -0.050 30 20 DBED CC#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2ccnn2C)C1 1069902482 ZKWJNUMDDMHSMY-OCCSQVGLSA-N 313.365 -0.310 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2ccnn2C)C[C@H]1c1cncn1C 1070628828 ZHLNAIJVTOEUJA-CHWSQXEVSA-N 312.377 -0.015 30 20 DBED CC(=O)N1CC[C@H](C(=O)NC[C@@H]2CN(CC#N)CCCO2)C1 1073871539 JEXGBEYFJVEZGQ-UONOGXRCSA-N 308.382 -0.415 30 20 DBED C#CCCN1CCO[C@@H]2CCN(C(=O)CCn3cncn3)C[C@@H]21 1074170328 MCWWZNNMIUKRLD-LSDHHAIUSA-N 317.393 -0.007 30 20 DBED CNC(=O)CN1CCO[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21 1074235305 FTPOWGPDTZCPQO-UONOGXRCSA-N 305.378 -0.553 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CCN(C(=O)c2cnco2)CC1 1074649778 JETHEWGZUIMXAN-SNVBAGLBSA-N 306.322 -0.082 30 20 DBED C#CCOCCC(=O)N[C@@H](C)CCNC(=O)c1cc[n+]([O-])cc1 1075509798 OPPDMEHYZSNKGN-ZDUSSCGKSA-N 319.361 -0.016 30 20 DBED C#CCN1C[C@@H]2CCN(C(=O)Cc3nc4ncccn4n3)[C@@H]2C1 1076569137 LASKHZQNHPVTCO-QWHCGFSZSA-N 310.361 -0.167 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)c2cn(CCOC)nn2)C1 1076985043 PYUCYPWRFFDSBN-TZMCWYRMSA-N 323.397 -0.334 30 20 DBED Cc1nnc2ccc(C(=O)N[C@@H]3CN(CC#N)C[C@H]3O)cn12 1077273994 TWOVEPOZNYUUQD-VXGBXAGGSA-N 300.322 -0.664 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1c2ccccc2CCN1C(=O)C(N)=O 1079129300 QXNOSSBJXKNXGO-ZWNOBZJWSA-N 314.345 -0.126 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cnn(C)c2)C1 1081248264 NNUKZGYOLXYCKE-WCQYABFASA-N 306.366 -0.065 30 20 DBED N#CCSCC(=O)NC[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1081287145 UDEVFMVWSWMKHX-QWHCGFSZSA-N 321.402 -0.408 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2oncc2C)C[C@H]1O 1081344711 UAKIEOQPBXDDFL-VXGBXAGGSA-N 323.349 -0.265 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H]1CN(C(=O)C(C)(C)C)C[C@@H]1O 1081424311 CXDHZLNKFXSRAJ-NEPJUHHUSA-N 323.393 -0.893 30 20 DBED Cc1c[nH]nc1C(=O)NC[C@@H]1CN(C(=O)C#CC(C)C)C[C@@H]1O 1081466200 PWUAWWYXRSENKK-OLZOCXBDSA-N 318.377 -0.073 30 20 DBED Cc1n[nH]cc1C(=O)N1C[C@@H](O)[C@@H](CNC(=O)C#CC2CC2)C1 1081474330 PMQCCOQNFAPDGH-GXTWGEPZSA-N 316.361 -0.319 30 20 DBED COCc1nn(C)cc1C(=O)N[C@@H]1CN(CC#N)C[C@H]1OC 1081868492 OOKJXRRNWCQWCJ-DGCLKSJQSA-N 307.354 -0.481 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@H]1CCn2ccnc2C1 1081870765 LSWRSDXJPSXJAA-YNEHKIRRSA-N 303.366 -0.216 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1cccc2ncnn12 1081903355 AHQGQODSSCQLQH-ZYHUDNBSSA-N 300.322 -0.318 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cccn(C)c1=O 1083251442 QAEBJKRVQSPKDT-LSDHHAIUSA-N 315.373 -0.066 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)Cc2cn3c(n2)CCCC3)C1 1083478070 SJXKHDUCSJUUPE-CABCVRRESA-N 316.405 -0.054 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)Cc2nnn(C(C)(C)C)n2)C1 1083486168 KXNAHFJTMBCTGB-MNOVXSKESA-N 308.386 -0.682 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)[C@H]2COCCN2CC2CCC2)C1 1083670479 BRUZNDLSXNQEGT-OAGGEKHMSA-N 323.437 -0.165 30 20 DBED C=C1CCC(C(=O)N[C@@H]2CN(Cc3nnnn3C)C[C@@H]2O)CC1 1083750342 RHYZQAJIBBUAQM-OLZOCXBDSA-N 320.397 -0.382 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)C3CCS(=O)(=O)CC3)[C@@H]2C1 1084697268 DFWMMIDPGCKJGI-ZIAGYGMSSA-N 310.419 -0.023 30 20 DBED C=CCN[C@H]1C[C@H](CNC(=O)[C@H]2CCN(C)S2(=O)=O)C1 1086503350 OSGZUHZSSACJMR-IJLUTSLNSA-N 301.412 -0.309 30 20 DBED Cn1nnc(C(=O)N[C@@H]2[C@H]3CCCN(CC#N)[C@H]3C2(C)C)n1 1087299313 SYRCSHUAYKCMGX-GMTAPVOTSA-N 303.370 -0.048 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CC[C@@H](C)N(c2ccc(C#N)nn2)C1 1089129900 SJUVFUOPSQNPMB-ZYHUDNBSSA-N 316.365 -0.042 30 20 DBED C[C@H](C[C@@H](C)NC(=O)c1nc[nH]n1)N=c1cc[nH]c(C#N)n1 1089374835 MRCBYLMCRRFNJW-RKDXNWHRSA-N 300.326 -0.103 30 20 DBED N#CCN1CC[C@H](NC(=O)c2cc3c(cn2)OCCO3)[C@H](O)C1 1090329715 LUQRGBDLQUEVHO-CMPLNLGQSA-N 318.333 -0.459 30 20 DBED COc1ccncc1CC(=O)N[C@H]1CCN(CC#N)C[C@@H]1O 1090357055 AYPFFDMMMGFXSQ-STQMWFEESA-N 304.350 -0.292 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2cn(CCC)nn2)[C@H](O)C1 1090682800 MXHYDVJXTBEQPT-GXTWGEPZSA-N 305.382 -0.124 30 20 DBED CO[C@H](C(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O)C1CC1 1091099086 BHWWVECPPPELMY-DYEKYZERSA-N 317.349 -0.561 30 20 DBED N#Cc1cncc(NCCNC(=O)C[C@@H]2CCS(=O)(=O)C2)n1 1093991906 MXGPGGAPDZXNIP-JTQLQIEISA-N 323.378 -0.299 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)Cn3cc(C)cn3)CC2=O)C1 1094706637 DWPFGDLGHPMUTP-ZDUSSCGKSA-N 315.377 -0.774 30 20 DBED C#CCCN1CC(N2C[C@H](NC(=O)Cc3cnc[nH]3)CC2=O)C1 1094794375 XOZGZPDEMLSSRN-CYBMUJFWSA-N 315.377 -0.623 30 20 DBED CC(=O)N(C)CC(=O)N1CCCN(c2ccnc(C#N)n2)CC1 1095163788 SKUJCFYWCMJCFZ-UHFFFAOYSA-N 316.365 -0.135 30 20 DBED CCC(=O)NCC(=O)NC1CCN(c2cncc(C#N)n2)CC1 1095397797 HFKAIWWAGHPMSR-UHFFFAOYSA-N 316.365 -0.041 30 20 DBED CN(CCCNC(=O)c1cc(=O)n(C)o1)c1nccnc1C#N 1095542434 RHIACDYFRRZUFA-UHFFFAOYSA-N 316.321 -0.104 30 20 DBED C[C@H](CNC(=O)CCn1ccnn1)Nc1ccc(C#N)nn1 1097780151 SYYPGMPLXPYHKN-SNVBAGLBSA-N 300.326 -0.053 30 20 DBED N#CCNCc1cn([C@@H]2CCN(C(=O)c3ncccn3)C2)nn1 1098757697 RMBZRHMUXGEWHI-GFCCVEGCSA-N 312.337 -0.232 30 20 DBED CC(C(=O)N[C@H]1CCN(CC(=O)NCC#N)C[C@H]1O)=C1CCC1 1099814116 ZVXVURPUHKZNNF-UONOGXRCSA-N 320.393 -0.322 30 20 DBED COCCOCCN1CC[C@H](NC(=O)C#CC(C)C)[C@@H](O)C1 1099821151 QCVXAHZOMXTZFT-GJZGRUSLSA-N 312.410 -0.140 30 20 DBED C#CCN1CC[C@H](NC(=O)COc2c(C)nn(C)c2C)[C@@H](O)C1 1099832896 OHEGHXTWOSUQAT-KBPBESRZSA-N 320.393 -0.400 30 20 DBED C=CCCCN1CC[C@@H](NC(=O)C(=O)NCC(F)F)[C@H](O)C1 1099901562 KWRKBBICNHJIIA-GHMZBOCLSA-N 319.352 -0.115 30 20 DBED Cc1nc(O)[nH]c1C(=O)NCCN(C)c1cncc(C#N)n1 1100189263 ASYUCGLSNLOLOZ-UHFFFAOYSA-N 301.310 -0.048 30 20 DBED COCC(=O)NCCC(=O)NCCN(C)c1ncccc1C#N 1100375034 OOSOIWMOGFYTJU-UHFFFAOYSA-N 319.365 -0.342 30 20 DBED C=CCNC(=O)CNC1CC(CNC(=O)c2c[nH]c(=O)cn2)C1 1100614190 HXUGMDNYNACTTJ-UHFFFAOYSA-N 319.365 -0.830 30 20 DBED CCN(CCNC(=O)[C@]1(C)CCC(=O)N1)c1cncc(C#N)n1 1100709755 NIZZUOBMGUINGZ-HNNXBMFYSA-N 316.365 -0.041 30 20 DBED N#Cc1cnc(N2CC[C@@H](CNC(=O)CCCC(N)=O)C2)cn1 1100988008 CSHNRACWYWHDMS-NSHDSACASA-N 316.365 -0.054 30 20 DBED C[C@@H](CC(N)=O)C(=O)NC[C@@H]1CCN(c2ccc(C#N)nn2)C1 1101036961 WOBGCYVALQPBBO-QWRGUYRKSA-N 316.365 -0.198 30 20 DBED C=CCN1C[C@@H](C)[C@H](CNC(=O)[C@@H](CCC(N)=O)NC(C)=O)C1 1102469775 XLBBVZFPHZQUHU-MRVWCRGKSA-N 324.425 -0.373 30 20 DBED CC(=O)N1CC(C(=O)NC[C@H](C)CNc2ccc(C#N)nn2)C1 1103942264 YJVNBWWTEOKCFM-SNVBAGLBSA-N 316.365 -0.009 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)[C@@H]1COC(=O)N1 1103945714 YPOXKDJIFWAIEI-BDAKNGLRSA-N 304.310 -0.957 30 20 DBED C=CCNCc1cn(C2CN(C(=O)C[C@@H]3CCC(=O)N3)C2)nn1 1105342509 IJLRFJADJKGTDF-NSHDSACASA-N 318.381 -0.394 30 20 DBED CN1C[C@@H](C(=O)N(C)CCN(C)c2ncccc2C#N)NC1=O 1105535816 YEVIWOWAOXHRKN-LBPRGKRZSA-N 316.365 -0.129 30 20 DBED CN1CC[C@H](C(=O)NC[C@@H](O)CNc2ccc(C#N)nc2)C1=O 1106064405 TVXCDIMXNKNKSA-QWHCGFSZSA-N 317.349 -0.679 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)c2c[nH]c(=O)cn2)cn1 1106091477 VJKVJUCYLRHQLL-LLVKDONJSA-N 314.305 -0.761 30 20 DBED Cc1c[nH]c(C(=O)NC[C@H](O)CN=c2cc[nH]c(C#N)n2)n1 1106135182 ODGIFEXJFLJUCX-SECBINFHSA-N 301.310 -0.996 30 20 DBED CCC(=O)NCC(=O)N[C@H](C)CCN=c1cc[nH]c(C#N)n1 1106268452 GDXHIIPMTDVFQA-SNVBAGLBSA-N 304.354 -0.397 30 20 DBED CCN(CCNc1cnc(C#N)cn1)C(=O)[C@@H]1CN(C)C(=O)N1 1106907035 RNEBNCJOZVASEA-NSHDSACASA-N 317.353 -0.368 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)CS(=O)(=O)NC)C[C@H]1C 1106997634 NEXABUZSFNYHSQ-VXGBXAGGSA-N 301.412 -0.757 30 20 DBED N#Cc1nc(=NC/C=C/CNC(=O)C[C@@H]2CCNC2=O)cc[nH]1 1107375033 MNVWRZHKBOPKFA-GXFZAYBSSA-N 314.349 -0.619 30 20 DBED C[C@]1(C(=O)NC/C=C/CNc2cncc(C#N)n2)CNC(=O)C1 1107421506 GQGZFCSBVDKVDF-XYBNCVKDSA-N 314.349 -0.041 30 20 DBED C[C@H](CNc1cncc(C#N)n1)NC(=O)C[C@@H]1CCNC1=O 1107978707 KVNMXDQIIQSUKH-ZJUUUORDSA-N 302.338 -0.209 30 20 DBED COc1c[nH]c(C(=O)NC[C@@]2(C)CN(CC#N)CCO2)cc1=O 1108073832 UVBCGOJCGRGTNO-HNNXBMFYSA-N 320.349 -0.272 30 20 DBED C#CCCN1CCO[C@](C)(CNC(=O)c2cc(C(N)=O)c[nH]2)C1 1108304622 ILKWAAQGZOWDKV-MRXNPFEDSA-N 318.377 -0.042 30 20 DBED Cc1cc(C#N)nc(N(C)C[C@@H](C)NC(=O)[C@H]2CNC(=O)N2)n1 1109210681 GAJFVYIWJGPGQT-MWLCHTKSSA-N 317.353 -0.721 30 20 DBED N#Cc1cnc(NCCN(CCO)C(=O)c2cocn2)cn1 1111445040 HSNAJWSURJNNKS-UHFFFAOYSA-N 302.294 -0.117 30 20 DBED CN(CCCN(C)c1cnc(C#N)cn1)C(=O)[C@H]1CCC(=O)N1 1112045308 NXGWQPCKZRETHA-GFCCVEGCSA-N 316.365 -0.088 30 20 DBED C[C@@H](C#N)C(=O)NC1(CO)CCN(c2ccc(C#N)nn2)CC1 1112657211 WAXTWAXIMGPLIY-NSHDSACASA-N 314.349 -0.045 30 20 DBED CCOCC(=O)NC[C@@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1112692834 SPRKXGSDYKGMMK-MNOVXSKESA-N 305.338 -0.702 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)CC[C@H](C)OC)[C@H]2C1 1114161885 NQIRTGVIPFNUEG-BCUIYNNISA-N 307.394 -0.403 30 20 DBED C#CCO[C@H](C)C(=O)NC1[C@@H]2CN(CCN3CCNC3=O)C[C@@H]12 1114270868 LZTWGLHDPJMNRD-JHJVBQTASA-N 320.393 -0.904 30 20 DBED C=CCOCCN1C[C@@H]2C(NC(=O)c3cc(C(N)=O)c[nH]3)[C@H]2C1 1115018773 YKRKUSYEAREAIA-RYUDHWBXSA-N 318.377 -0.024 30 20 DBED CCN1CCO[C@H](C(=O)NC2[C@@H]3CN(CC#CCOC)C[C@@H]23)C1 1115270264 WHYGFFRJBRMGQW-KFWWJZLASA-N 321.421 -0.597 30 20 DBED C=C(C)CN(C)C(=O)C(=O)NC[C@@H]1CC[C@@H](C(=O)N(C)C)O1 1118797630 OZCCNEBWZHMKHY-RYUDHWBXSA-N 311.382 -0.227 30 20 DBED CN(CCOCCN)C(=O)C(=O)Nc1cccc(OCC#N)c1 1118862550 QJGPPPLQZDWBPJ-UHFFFAOYSA-N 320.349 -0.039 30 20 DBED CC1(N)CCN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)CC1 1119036474 KHKHWFSTQHRPFW-CYBMUJFWSA-N 319.409 -0.475 30 20 DBED Cc1cc(C#N)nc(N[C@@H](CO)CNC(=O)[C@H]2CCCO2)n1 1121183118 JFDDJGNBYNTGFW-VXGBXAGGSA-N 305.338 -0.275 30 20 DBED CCC(=O)NCC(=O)NC[C@H](CO)Nc1ncccc1C#N 1121241787 ONSIAQAZWIYJDQ-LLVKDONJSA-N 305.338 -0.632 30 20 DBED C=CCOCC(=O)NC[C@@H](CO)N=c1cc(C)[nH]cc1C#N 1121323416 BUMRLTWFKQPOIH-ZDUSSCGKSA-N 304.350 -0.225 30 20 DBED CS[C@@H](C)CC(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1 1121346118 LKRRXHGFWMIHKM-UWVGGRQHSA-N 309.395 -0.199 30 20 DBED CCNC(=O)CC(=O)NC[C@@H](CO)Nc1ccc(C#N)cn1 1121466166 ZVXKMGSDCUZBPE-NSHDSACASA-N 305.338 -0.632 30 20 DBED Cc1ccc(C#N)c(NC[C@H](O)CN(C)C(=O)CC(N)=O)n1 1124201177 UGOUYXPQOKADMD-NSHDSACASA-N 305.338 -0.632 30 20 DBED CCNC(=O)CC(=O)N(C)C[C@@H](O)CN=c1cc[nH]cc1C#N 1124314700 JDYYPXFQWFHOEV-LBPRGKRZSA-N 319.365 -0.867 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 1129252866 KZNFHXXOYIMQIL-QLFBSQMISA-N 318.425 -0.161 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cn2c(n1)CC[C@H](C)C2 1130222063 ZLDLFUVOKZCVKT-LBPRGKRZSA-N 317.393 -0.466 30 20 DBED C#CCN[C@@H]1CN(C(=O)CC(=O)NCC)C[C@H]1c1cn(C)cn1 1130565387 JPKCSNWNIVRWLD-GXTWGEPZSA-N 317.393 -0.537 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)CC(=O)N(C)C)C[C@@]3(C1)O2 1131273568 JHADKSCDJUSGKX-XJKCOSOUSA-N 305.378 -0.600 30 20 DBED CC(=O)NC(C)(C)C(=O)N1C[C@@H]2C[C@@H]3CN(CC#N)C[C@]2(C1)O3 1131276587 GMKOXDJETAVRSH-WOSRLPQWSA-N 320.393 -0.274 30 20 DBED CNC(=O)CN1CCNC(=O)CCN(C(=O)C#CC(C)C)CC1 1131360124 IWXZOWBSYQIWPJ-UHFFFAOYSA-N 322.409 -0.958 30 20 DBED C#CCNC(=O)CNC[C@H]1CN(C(=O)CCOC)CC[C@H]1C 1132579162 YDUUTAWWPIZYDA-KGLIPLIRSA-N 309.410 -0.154 30 20 DBED CC#CCN[C@@H](C)C[C@H](C)NC(=O)CCNS(C)(=O)=O 1134509593 VMAMORQZSIMMRS-RYUDHWBXSA-N 303.428 -0.178 30 20 DBED N#CCNC(=O)CN1CCC2(C1)CN(C(=O)[C@@H]1CCCOC1)C2 1147200394 FXCXMKIDEQVJKA-CYBMUJFWSA-N 320.393 -0.413 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@H]1Cc2cccnc2C1 1149195853 JMCBPJFIVPGOJE-JSGCOSHPSA-N 314.389 -0.360 30 20 DBED C=C(C)CN1CCCO[C@@H](CNC(=O)CN2CCNC(=O)C2)C1 1150080176 YZBIYCZJFFVMQS-AWEZNQCLSA-N 324.425 -0.799 30 20 DBED Cc1cccc2nc(C(=O)NCCNCC(=O)NCC#N)cn12 1150548708 NQTSQGSSTZLPFH-UHFFFAOYSA-N 314.349 -0.398 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)CNC(=O)CC(C)(C)C 1151476643 NFPNFSKRJYLFPF-GFCCVEGCSA-N 324.425 -0.618 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)COC[C@H]1CCCO1 1153684036 FIXNUEHLFVOUSM-QWHCGFSZSA-N 313.398 -0.422 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)NCCCNC(=O)C(F)F 1154059339 GUHJNSVIVYQPND-MRVPVSSYSA-N 306.313 -0.252 30 20 DBED COCC#CCNCCCNC(=O)c1cn(CCOC)nn1 1157874067 IJOFIPGTRFVYDV-UHFFFAOYSA-N 309.370 -0.716 30 20 DBED C=CCCCCCNCCCNC(=O)CNS(=O)(=O)NC 1163290456 HUDBIURBMRVNOF-UHFFFAOYSA-N 320.459 -0.118 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)c1cnc(OC)nc1 1170084079 ZSVOGLXZBOXQTA-LLVKDONJSA-N 321.381 -0.115 30 20 DBED C[C@H](CCCCNCC#N)NC(=O)CNS(=O)(=O)N(C)C 1175503227 NSPGHHLBFOLLGQ-LLVKDONJSA-N 319.431 -0.829 30 20 DBED CC#CCNCCCC[C@H](C)NC(=O)C[C@H](NC(C)=O)C(N)=O 1175581797 TVDKGIQRYPEJEU-JSGCOSHPSA-N 324.425 -0.346 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)[C@H](C)CC(N)=O)[C@H]1C 1179299874 CFSLGXTWMAFZTN-WOPDTQHZSA-N 310.398 -0.621 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)CCn2cncn2)C1 1180993633 LQEHLBXRCWBSCD-GFCCVEGCSA-N 306.370 -0.839 30 20 DBED C=CCCC(=O)N1CC[C@@H](NC[C@H](O)CN2C(=O)CCC2=O)C1 1181534750 CEAJKGAHODTZCT-OLZOCXBDSA-N 323.393 -0.347 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)C3=COCCO3)[C@@H]2C1 1186715557 FMNSXOOCIMEMMX-QWHCGFSZSA-N 319.361 -0.843 30 20 DBED CC(C)OCCC(=O)N1CC[C@H]2CN(CC(=O)NCC#N)C[C@H]21 1186940682 SFPDKVSLMHDCPY-UONOGXRCSA-N 322.409 -0.026 30 20 DBED COCCCCC(=O)N1CC[C@@H](N(C)CC(=O)NCC#N)C1 1189260959 KNKJPQOHKVUXCL-CYBMUJFWSA-N 310.398 -0.024 30 20 DBED Cn1cc(CCN2C[C@@H](O)[C@H](NC(=O)CSCC#N)C2)cn1 1191149266 KNUWDUSOGXWZNV-CHWSQXEVSA-N 323.422 -0.619 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2c[nH]nc2C)C1 1191641620 SLWOSBNSMYAQCC-LBPRGKRZSA-N 303.366 -0.386 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)Cc2ccccc2)C1 1194152247 WIJYNWXKUNAQQM-HUUCEWRRSA-N 315.373 -0.860 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)CCC(C)(F)F)C1 1194210838 GXPTYSUUOINLLT-GHMZBOCLSA-N 319.352 -0.115 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@H]1CCN(C(=O)CN(C)C(C)C)C1 1194293680 ILBOKCQLLKIWIT-CABCVRRESA-N 322.453 -0.003 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)CN(C)C(C)=O)CC1 1194926041 LPEQSPYGSGEBRW-UHFFFAOYSA-N 310.398 -0.699 30 20 DBED CCCCCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 1195718086 NBDUKOYRUWQRLL-YNEHKIRRSA-N 312.414 -0.201 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)c2ccc(C)nn2)CC1 1195770560 RQYSQFJDFMNDBJ-UHFFFAOYSA-N 315.377 -0.318 30 20 DBED C#CCNC(=O)[C@H](C)N1CCCN(C(=O)[C@H](CC)N(C)C)CC1 1197181269 VMRGRSBGWAAFLU-GJZGRUSLSA-N 322.453 -0.001 30 20 DBED COCC#CCNC1CCN(C(=O)CNC(=O)C2CC2)CC1 1199477691 BJQIWBWXBLKEIK-UHFFFAOYSA-N 307.394 -0.257 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@@H]1CN(C(=O)C(F)F)CCCO1 1199634715 VWWDZSXWCQRJLX-WDEREUQCSA-N 317.336 -0.404 30 20 DBED C#CCNC(=O)CC(=O)N1CCC(NCCC[C@@H](C)O)CC1 1200170561 BIEFECWLUYRICF-CYBMUJFWSA-N 309.410 -0.133 30 20 DBED C=CCCNC1CCN(C(=O)CNC(=O)Cn2cncn2)CC1 1203877683 ZMNQCKRDXIUVTL-UHFFFAOYSA-N 320.397 -0.449 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)c1cnsn1 1206286566 IXXFJQYSQLSFBK-PSASIEDQSA-N 308.367 -0.772 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2CC2(F)F)C1 1207985939 BWXIFJPZDZCDAQ-ZJUUUORDSA-N 300.309 -0.138 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCN(C(=O)c2cccnn2)C1 1210255445 UZAYUABQKJKVTN-LLVKDONJSA-N 302.338 -0.689 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2ccnn2C)C[C@H]1OC 1212258764 ZWSHDWNTIZMWCC-NWANDNLSSA-N 320.393 -0.226 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)CCCOCC)C[C@H]1C 1214202160 BCQMDVWYFHUEHV-ZIAGYGMSSA-N 309.410 -0.011 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)c2cc(C)nn2C)C[C@H]1C 1214227349 YCMSUZSDQRICHU-DGCLKSJQSA-N 317.393 -0.472 30 20 DBED C=CCOCCN[C@@H]1CN(C(=O)[C@@H]2COCCN2C)C[C@H]1C 1214459235 SLKZEDXOGBSAGE-KFWWJZLASA-N 311.426 -0.044 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H](C)OCC#C)C[C@H]1C 1214601967 IQTIRLLHQVRLMM-MGPQQGTHSA-N 305.378 -0.789 30 20 DBED CC(C)C#CC(=O)N1CCO[C@@H]2CN([C@H]3CCNC3=O)C[C@@H]21 1217852247 HGSRTDWZEHFLDF-MELADBBJSA-N 305.378 -0.554 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)CN(C)S(=O)(=O)CC)[C@@H]2C1 1221908832 QFHVLLGRDKNCTK-CHWSQXEVSA-N 313.423 -0.566 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)[C@@H](COC)OC)CC1 1229116463 VGGQHDMAIHSTPC-CYBMUJFWSA-N 313.398 -0.469 30 20 DBED C=CCOCCN1CCC(NC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 1229369324 LCWGPTCADIYHKP-LBPRGKRZSA-N 324.381 -0.632 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC(NC(=O)Cc2nc[nH]n2)CC1 1229984807 BQKGZYBRIFUYKM-NSHDSACASA-N 318.381 -0.934 30 20 DBED C=CCOCC(=O)NCC[C@@H]1CN(CC)CCS1(=O)=O 1230437193 WPIDDZSPOVRMMN-GFCCVEGCSA-N 304.412 -0.186 30 20 DBED C#CCNC(=O)C1CCN(S(=O)(=O)c2cn(C)cn2)CC1 1256668336 RJUCJGTYWVNRRL-UHFFFAOYSA-N 310.379 -0.430 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3CNC[C@@H]32)CCN1C1CC1 1261861188 QFVBETVTRGZXNQ-BNOWGMLFSA-N 317.393 -0.995 30 20 DBED CC[C@@H](C(=O)N[C@H]1CN(CC(=O)NCC#N)CC1(C)C)N(C)C 1282833339 NGFFUMGSHGIJQG-STQMWFEESA-N 323.441 -0.207 30 20 DBED C#CCNC(=O)COC(=O)CCc1nc(-c2ncccn2)no1 1322404385 FSCYXCIZUWOJTM-UHFFFAOYSA-N 315.289 -0.248 30 20 DBED CCN(C[C@H](C)C#N)C(=O)COC(=O)CC[C@H]1NC(=O)NC1=O 1323929795 DVZBBAWDLUACNL-NXEZZACHSA-N 324.337 -0.474 30 20 DBED C=C[C@](C)(O)CC(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 1325104481 QBCLJHZUDSPPMU-MFKMUULPSA-N 318.395 -0.877 30 20 DBED N#C[C@H]1CC[C@@H](NC(=O)C(=O)NC[C@H]2CC(=O)N(C3CC3)C2)C1 1325962745 CVGLTDQGMXWEBP-QJPTWQEYSA-N 318.377 -0.078 30 20 DBED CN(CC1=CCCOC1)C(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1328259439 JSQREADQYPXYKT-HNNXBMFYSA-N 307.350 -0.331 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N[C@H]1CC(=O)N(C2CC2)C1 1329039742 FWYCMVZYLIMGHG-NSHDSACASA-N 309.366 -0.473 30 20 DBED Cc1cc(NC(=O)C(=O)N2CCNC(=O)C2)nn1CCC#N 1336873621 PNHVORTUMZZHQS-UHFFFAOYSA-N 304.310 -0.998 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CC[C@]3(CCOC3)C2)nn1 1345710988 PDXDRPCONUWKLS-HNNXBMFYSA-N 319.365 -0.281 30 20 DBED CC(C)N1CCC[C@H]1C(=O)NCCn1cc(C#N)c(O)nc1=O 1362688142 LHBLMMKSKICJGT-LBPRGKRZSA-N 319.365 -0.190 30 20 DBED COC(=O)CCN(CC(C)C)c1[nH]c(=O)n(C)c(=O)c1C#N 1364545909 YCHROPRYVCWTTK-UHFFFAOYSA-N 308.338 -0.029 30 20 DBED Cc1nn(C)c(C)c1[C@H](O)CNS(=O)(=O)N(C)CCC#N 1364979285 YVDCBRISIUOOTR-LLVKDONJSA-N 315.399 -0.250 30 20 DBED COC(=O)[C@@](C)(CO)NS(=O)(=O)c1cccc(F)c1C#N 1365418594 SPBYMWSEXAESOK-GFCCVEGCSA-N 316.310 -0.100 30 20 DBED C[C@H](C#N)C(=O)N[C@H](CNC(=O)c1cc(=O)n(C)cn1)C1CC1 1372405743 LEPGYCYXCARCMP-BXKDBHETSA-N 317.349 -0.435 30 20 DBED C[C@H](C#N)C(=O)N(C)CC1CCN(C(=O)CCNC(N)=O)CC1 1374505930 QBORGSOYRKEFQJ-LLVKDONJSA-N 323.397 -0.099 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)CCc1nccs1 1376619620 ISZFCDNMXRMVKV-ZJUUUORDSA-N 310.379 -0.171 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CN(C)C(=O)CCc1cnccn1 1383075977 JCKXEVPIUXMMSI-WCQYABFASA-N 319.365 -0.496 30 20 DBED CO[C@@H](C(=O)N1CCN(CCNC(=O)[C@@H](C)C#N)CC1)C1CC1 1385577295 DWTBKLPPWLHQDX-GXTWGEPZSA-N 322.409 -0.169 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CCN(C(=O)CCn2cnccc2=O)C1 1385736227 QYHHEVPAFNFBBI-NEPJUHHUSA-N 317.349 -0.490 30 20 DBED COCc1nn(C)cc1C(=O)N[C@H](C)CNC(=O)[C@@H](C)C#N 1387088344 SRNKMTWJOBSOHX-VHSXEESVSA-N 307.354 -0.039 30 20 DBED CCN1CCO[C@@H](C(=O)N(CC)CCNC(=O)[C@@H](C)C#N)C1 1388408436 RIMCPLJZSBYZPJ-QWHCGFSZSA-N 310.398 -0.169 30 20 DBED CCOc1nc(C(=O)NC[C@@H](O)CNC(=O)[C@@H](C)C#N)co1 1392142297 HGYPBEBZKPMSJK-IUCAKERBSA-N 310.310 -0.560 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@H]2CNC(=O)CCCC(N)=O)[nH]1 1393376417 OSXJHDIBDUAITI-NSHDSACASA-N 317.349 -0.127 30 20 DBED CCN(CCC#N)C(=O)CN1CC(O)(CNC(=O)C2CC2)C1 1402288704 RPKOMXLBWRKLQK-UHFFFAOYSA-N 308.382 -0.679 30 20 DBED CN1CC2(CCN(C(=O)CCn3cc(C#N)c(O)nc3=O)C2)C1 1412895152 LFGAVIZQYKPIDA-UHFFFAOYSA-N 317.349 -0.625 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CC[C@H](CS(N)(=O)=O)C1 1414353752 BJWDOJCHIKOETD-JTQLQIEISA-N 324.428 -0.923 30 20 DBED Cn1nnc(CNC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C2CC2)n1 1445942420 WFFCGVUQPUQQAM-GFCCVEGCSA-N 314.353 -0.292 30 20 DBED C[C@H]1CC(NC(=O)Cn2cc(C#N)c(O)nc2=O)C[C@H](C)O1 1447255420 BWNQEUDVGNWMGR-IUCAKERBSA-N 306.322 -0.107 30 20 DBED CNS(=O)(=O)CCn1c(C)nnc1N(C)[C@@H](C)CC#N 1454920505 NTAVLXBCZGVDCF-VIFPVBQESA-N 300.388 -0.126 30 20 DBED CCNC(=O)NC(=O)[C@@H](C)N(CC)CCNC(=O)[C@@H](C)C#N 1480967193 BPZLKTBYLWAGCQ-WDEREUQCSA-N 311.386 -0.182 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2CN(C)CCO2)C1 1489845963 MNCXDVAMMYLVRX-NDBYEHHHSA-N 308.382 -0.512 30 20 DBED CCCNC(=O)CN1CCN(CCNC(=O)[C@@H](C)C#N)CC1 1490486261 SVQLMOCEXQGPAN-ZDUSSCGKSA-N 309.414 -0.594 30 20 DBED CCN1C[C@H](C(=O)NC2(CNC(=O)[C@H](C)C#N)CC2)CC1=O 1506192779 PEACARQEDVMNMJ-GHMZBOCLSA-N 306.366 -0.221 30 20 DBED C=CCn1c([C@H](C)CO)nnc1N1CCO[C@H](CNC(C)=O)C1 1520497021 LJSPOHQFOISNJG-DGCLKSJQSA-N 323.397 -0.099 30 20 DBED Cc1nnc(COCC(=O)NC2CN(C(=O)[C@@H](C)C#N)C2)s1 1530564381 YXABDEITWMOQIE-QMMMGPOBSA-N 323.378 -0.150 30 20 DBED CC(C)c1nnnn1CC(=O)N1CC(CNC(=O)[C@H](C)C#N)C1 1530880715 RGIDXSKZOMBYAK-SNVBAGLBSA-N 319.369 -0.469 30 20 DBED C#Cc1cncc(C(=O)N[C@H](C)[C@@H](C)NC(=O)CNC(=O)O)c1 1573313169 DNPUMTGGAINZKS-NXEZZACHSA-N 318.333 -0.047 30 20 DBED COCC#CCNC[C@H](C)NC(=O)CCOCc1cnn[nH]1 1576953837 RMXJOTNQGYNBTO-LBPRGKRZSA-N 309.370 -0.545 30 20 DBED Cc1cc(C(=O)NCCn2cnc(C#N)n2)ncc1-c1nn[nH]n1 1580869604 ROHWGHVREYMBBC-UHFFFAOYSA-N 324.308 -0.537 30 20 DBED C#CCN1CCC[C@@H](NC(=O)NC2CCN(CC(=O)O)CC2)C1 1588430070 GZFIJQVRDOFLQV-CQSZACIVSA-N 322.409 -0.068 30 20 DBED C=CCOC[C@H](NC(=O)N(C)[C@H]1CCS(=O)(=O)C1)C(=O)O 1588857269 WOCKNYZQNIXMHO-UWVGGRQHSA-N 320.367 -0.529 30 20 DBED C[C@H](C(=O)NCc1ccc(C#N)cn1)n1cnc(-c2nn[nH]n2)n1 1588998712 STRVHQSHLSBXAY-MRVPVSSYSA-N 324.308 -0.398 30 20 DBED N#CCNC[C@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCO1 1592678887 WDFFOHVJUKGXGH-JTQLQIEISA-N 316.325 -0.851 30 20 DBED N#Cc1nc(N)n(CC(=O)NCc2cccnc2)c1-c1nn[nH]n1 1592705771 COCXJIBKXOMULV-UHFFFAOYSA-N 324.308 -0.772 30 20 DBED N#CCc1ccc(C(=O)NCCn2cnc(-c3nn[nH]n3)n2)cc1 1609496107 MBJPUXWVYBLNKT-UHFFFAOYSA-N 323.320 -0.046 30 20 DBED C[C@H](NCC#N)[C@@H]1CCCCN1C(=O)Cn1ccc(O)nc1=O 1752142456 JGNCHPSAOKLJDQ-RYUDHWBXSA-N 319.365 -0.168 30 20 DBED Cc1cc(C(=O)NCCCN2CCN(CC#N)CC2)n(C)n1 1752339440 MDFQAIXHLJLDDZ-UHFFFAOYSA-N 304.398 -0.010 30 20 DBED C=CCCN1CCN(CCNC(=O)c2cc(=O)n(C)cn2)CC1 1752365816 LGBSUUUSKJDCJT-UHFFFAOYSA-N 319.409 -0.296 30 20 DBED C#CCNC(=O)CN1CCC2(CC1)C[C@@H]2NC(=O)[C@H](C)OC 1752416425 OGUOBFMFSGWKBV-STQMWFEESA-N 307.394 -0.259 30 20 DBED Cc1nn(CC(=O)N2CCC[C@H](CNCC#N)C2)c(=O)n1C 1752811666 QIXJZUKJHRFHDD-GFCCVEGCSA-N 306.370 -0.758 30 20 DBED N#CCNC(=O)CNC[C@@H]1CCN(C(=O)[C@@H]2CC2(F)F)C1 1752937094 ZLBHEICUDOFQHQ-UWVGGRQHSA-N 300.309 -0.281 30 20 DBED C=C[C@@](C)(CC)C(=O)N(C)CCNCC(=O)N1CCNC(=O)C1 1753228260 NSRZKCXUUISNJS-INIZCTEOSA-N 324.425 -0.405 30 20 DBED C#CCNC(=O)[C@H](C)N1CC(NC(=O)c2cccc(C)n2)C1 1753369789 GWKCMBKQBAUKPW-LBPRGKRZSA-N 300.362 -0.058 30 20 DBED COCC#CCNC[C@](C)(NC(=O)C1CN(C(C)=O)C1)C1CC1 1753515799 HETXUBGGFHXCMT-KRWDZBQOSA-N 321.421 -0.011 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)COCC2CC2)C[C@H]1C 1753771463 ZVIXZKIGEUKZSO-HIFRSBDPSA-N 321.421 -0.011 30 20 DBED C#CCNC(=O)[C@H](C)NCCN(CC)C(=O)c1ccncn1 1754072755 LYMZVSHUYBLXQZ-LBPRGKRZSA-N 303.366 -0.334 30 20 DBED COCC#CCNC/C=C\CNC(=O)c1cnc2n1CCOC2 1754133752 NXGOYAUWCFRYNA-IHWYPQMZSA-N 318.377 -0.061 30 20 DBED C=CCN1CC[C@H](NC[C@H](C)NC(=O)C2(C(N)=O)CC2)C1=O 1754281876 WQOHEDFNZRUHIP-QWRGUYRKSA-N 308.382 -0.867 30 20 DBED C=CCNC(=O)CNCCCN(C)C(=O)[C@]1(C)CCC(=O)NC1 1754390987 KWINUXXDWOSPSQ-MRXNPFEDSA-N 324.425 -0.357 30 20 DBED C=CCNC(=O)NC(=O)CN1CC(N(C)C(=O)[C@@H](F)CC)C1 1754580066 MQWRCRRENOCWKY-NSHDSACASA-N 314.361 -0.111 30 20 DBED CS(=O)(=O)CCNC[C@@H]1CCCN1C(=O)CSCC#N 1754606046 AVBUTBDSVATDTF-NSHDSACASA-N 319.452 -0.132 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@@H]1CCCN1C(=O)c1n[nH]cc1F 1754616644 KWNUSZUGJXHIGH-QWRGUYRKSA-N 321.356 -0.119 30 20 DBED N#Cc1ccccc1CN1CC[C@@](O)(CNC(=O)C(N)=O)C1 1754755264 UJUCHHCCUWGARS-OAHLLOKOSA-N 302.334 -0.903 30 20 DBED C[C@@H](NCC#N)[C@H]1CCN(C(=O)CN2CCC(=O)NC2=O)C1 1754803527 DMIUTCLHPBBBSO-MNOVXSKESA-N 307.354 -0.722 30 20 DBED CN(C)S(=O)(=O)CCC(=O)NCC1[C@@H]2CN(CC#N)C[C@@H]12 1755436763 XHYJHPKTJIEMHB-RYUDHWBXSA-N 314.411 -0.915 30 20 DBED C#CCCN[C@H]1C[C@H](C)N(C(=O)CNS(=O)(=O)CC)C1 1755676917 SPLAEWCFCJWFTB-RYUDHWBXSA-N 301.412 -0.472 30 20 DBED CC#CCN(CCNC(=O)C1(C(=O)NC)CCC1)CCOC 1755841471 LBQRLIJPCKHRPG-UHFFFAOYSA-N 309.410 -0.009 30 20 DBED CN(C[C@@H]1CCCN1C(=O)c1nnn(C)n1)C(=O)C#CC1CC1 1755922899 RIVRHMKLCWXZMZ-LBPRGKRZSA-N 316.365 -0.314 30 20 DBED C[C@H](NC(N)=O)C(=O)N(C)C1CCN(C(=O)C#CC2CC2)CC1 1756361084 ZJPPYFGHYCWFTO-NSHDSACASA-N 320.393 -0.094 30 20 DBED C=CCCC(=O)N[C@@H]1CN(C(=O)c2ccnc(OC)n2)C[C@@H]1O 1757161136 QVDFJAARRIIDRY-NEPJUHHUSA-N 320.349 -0.247 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1CN(C(=O)[C@@H](C)n2cncn2)C[C@@H]1O 1757199180 ISFBFEMOBYQKFZ-UTUOFQBUSA-N 321.381 -0.261 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)n1ccnn1 1800272395 HFRUEJPYJBTION-NRWUCQMLSA-N 317.349 -0.938 30 20 DBED C#CC(=O)NC[C@H]1CCN(C(=O)C(O)O)[C@@H]1c1cccnc1 1812524501 QBFBCRJPMZOAHR-DGCLKSJQSA-N 303.318 -0.969 30 20 DBED CC[C@H](C)[C@H](O)C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846194813 RPHNLIYTTJMTCJ-FZMZJTMJSA-N 322.361 -0.315 30 20 DBED CC[C@H](C)[C@@H](N)C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846195095 AXNUSMHRQGZAPG-SMDDNHRTSA-N 321.377 -0.349 30 20 DBED CCNC(=O)CN1CCN(CC(=O)N[C@](C)(C#N)C(C)C)CC1 29670322 KDIOZMQDHGIIBE-MRXNPFEDSA-N 323.441 -0.205 30 20 DBED C#CCNC(=O)c1ccc2c(c1)S(=O)(=O)N(CCOC)C2=O 48384710 GFBLAMQTSVKUEZ-UHFFFAOYSA-N 322.342 -0.160 30 20 DBED C=CCCCOC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 117993526 WCHCFTUTDWAVBX-UHFFFAOYSA-N 306.322 -0.057 30 20 DBED N#CCC1(O)CN(S(=O)(=O)c2cnn(CC(F)F)c2)C1 192895078 MVCPCSYXUARPAO-UHFFFAOYSA-N 306.294 -0.203 30 20 DBED COC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(C#N)s1 230372039 NLLIXVGCQNSJGU-APPZFPTMSA-N 316.360 -0.083 30 20 DBED CCC(=O)N1CC[C@@H](N/C(=N\C)NCCS(C)(=O)=O)C1 261986574 QGWFUQDAKMJLNC-SNVBAGLBSA-N 304.416 -0.793 30 20 DBED C#CCNC(=O)CN1CCN(c2ncccc2[N+](=O)[O-])CC1 264294054 KRYHHEIWBBOSTL-UHFFFAOYSA-N 303.322 -0.139 30 20 DBED C=CCNC(=O)CNC(=O)N[C@@H](CC)C(=O)N1CCOCC1 272032331 ZSZPKZAHZHXANM-NSHDSACASA-N 312.370 -0.775 30 20 DBED C#CCN(CC#N)C(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 282128763 YLUHQRNBUBYZFS-AWEZNQCLSA-N 318.377 -0.848 30 20 DBED C#CCN(C)C(=O)C(=O)N1CCN(CC(=O)N[C@@H](C)CC)CC1 298206024 YBAKYOKNXZOMQM-ZDUSSCGKSA-N 322.409 -0.863 30 20 DBED COC[C@H](C)N/C(N)=N/CCNS(=O)(=O)c1cccnc1 305183531 IAOIVCNHXWRBDH-JTQLQIEISA-N 315.399 -0.701 30 20 DBED CNS(=O)(=O)CC/N=C(/O)N1CCC(n2ccnc2)CC1 331299876 OVUVVZUCJKEION-UHFFFAOYSA-N 315.399 -0.017 30 20 DBED CCCCCN(CCO)S(=O)(=O)N1CCO[C@H](C#N)C1 337086510 FFFFLYSJBSQDCJ-GFCCVEGCSA-N 305.400 -0.060 30 20 DBED COC(=O)C[C@H]1COCCN1S(=O)(=O)N(C)CCC#N 344954172 JNRLFBNWMIOBLZ-JTQLQIEISA-N 305.356 -0.659 30 20 DBED Cc1cc(NC(=O)C(=O)N2CC[C@H](C)[C@H](O)C2)nn1CCC#N 357725616 BDSVKZWJLZOCEF-CMPLNLGQSA-N 319.365 0.273 30 20 DBED C=C[C@H](C)NC(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1 362611968 GBZFHDLOKGBZRC-ZETCQYMHSA-N 301.324 -0.653 30 20 DBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC#CCO 412324857 QZNVXBHVMWOGAG-NSHDSACASA-N 321.358 -0.663 30 20 DBED C[C@H]1CN(C(=O)[C@H](N)CCCC#N)CCN1S(C)(=O)=O 424177200 ZEVUBZJZSYYLQS-WDEREUQCSA-N 302.400 -0.500 30 20 DBED N#Cc1c(NCCOCCS(N)(=O)=O)ncc2c1CCC2 425252823 JKZBKOQDKDGCGL-UHFFFAOYSA-N 310.379 0.159 30 20 DBED Cc1c(C(=O)NCCC#N)cnc2c1c(=O)n(C)c(=O)n2C 427633284 HSFSWYAIMFTQPX-UHFFFAOYSA-N 301.306 -0.416 30 20 DBED COC(=O)[C@H](NS(=O)(=O)c1ccc(C#N)s1)[C@@H](C)O 435443527 QSDVZMXEXWGTIU-HZGVNTEJSA-N 304.349 -0.180 30 20 DBED C=C(C)CN(CC)C(=O)C(=O)Nc1cnn(CC(=O)NC)c1 445922842 CQZWBTWKRYIJQV-UHFFFAOYSA-N 307.354 -0.008 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](N(C)CC(=O)OC(C)(C)C)[C@H](O)C1 487692055 RAEIJUMLJLHLEC-GRYCIOLGSA-N 311.382 -0.009 30 20 DBED C#CCN1CCN(C(=O)CN2CC[C@H](N3CCCC3=O)C2)CC1 490897847 GBTFDWSXAICVHW-HNNXBMFYSA-N 318.421 -0.540 30 20 DBED C#C[C@@H](C)N(C)C(=O)NCCNS(=O)(=O)Cc1ccon1 491673466 ZUVFJTIMUSUEBJ-SNVBAGLBSA-N 314.367 -0.243 30 20 DBED CN(CCN1CCCC1=O)S(=O)(=O)N1CCO[C@@H](C#N)C1 548766355 RKIIXOAVCLGRHU-NSHDSACASA-N 316.383 -0.990 30 20 DBED CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCC(=O)NCC#N 553307853 MVCWZEZFHMPHJP-CQSZACIVSA-N 314.345 -0.284 30 20 DBED CC(C)(CC#N)CS(=O)(=O)N[C@H]1CCN(S(C)(=O)=O)C1 565083063 KDNVJDFFDHEDPW-JTQLQIEISA-N 323.440 -0.120 30 20 DBED C=CCSCCNC(=O)C(=O)N1CCO[C@@H]([C@H](C)N)C1 591372988 HPHWKATYFOTWJM-WDEREUQCSA-N 301.412 -0.404 30 20 DBED N#CC[C@]1(O)CCN(C(=O)Cn2nc3ccccn3c2=O)C1 592840134 SAPRWLRCRYNQLX-AWEZNQCLSA-N 301.306 -0.627 30 20 DBED COC(=O)C[C@H](O)CNC(=O)C(=O)Nc1ccc(F)cc1C#N 600061568 XCJWJNRNBMSAKF-JTQLQIEISA-N 323.280 -0.324 30 20 DBED C=CCN(CC=C)C(=O)C(=O)N[C@H]1CS(=O)(=O)C[C@@H]1OC 612195194 CQKCXVUXZZADAI-QWRGUYRKSA-N 316.379 -0.885 30 20 DBED CC#CC[C@@H](CO)NC(=O)CCn1cnc2c(N)ncnc21 616506273 ULTNQTDUWGUFMM-JTQLQIEISA-N 302.338 -0.311 30 20 DBED CCOCCOC[C@H](O)CNC(=O)Nc1nn(C)cc1C#N 616791536 IKJWSWXSGDYTPH-LLVKDONJSA-N 311.342 -0.173 30 20 DBED C[C@H](C[C@@H]1CCOC1)NS(=O)(=O)N1CCO[C@H](C#N)C1 619712133 JXXHTJWDAUHXRL-GRYCIOLGSA-N 303.384 -0.140 30 20 DBED C=CC[C@@H]1CCCN(C(=O)C(=O)N2CCO[C@@H](C(N)=O)C2)C1 658523965 LZHDJEMSHXCXTM-VXGBXAGGSA-N 309.366 -0.486 30 20 DBED C=CCN(C(=O)C(=O)N1CCO[C@H](C(=O)O)C1)[C@H](C)COC 662910685 BQHXXLHPRANVEG-MNOVXSKESA-N 314.338 -0.652 30 20 DBED C#CCNC(=O)CN1CCN(c2nc(C)cc(OC)n2)CC1 729927285 DXXQRNCRVYUIEJ-UHFFFAOYSA-N 303.366 -0.335 30 20 DBED C=CCNC(=O)COC(=O)c1cnc2c(c1)c(O)nc(=O)n2C 746915199 LIIANNSDRDHKFF-UHFFFAOYSA-N 318.289 -0.507 30 20 DBED C#CCCCNC(=O)C(=O)N(CCS(C)(=O)=O)C1CC1 806914258 SHTQKFRTUYYBHJ-UHFFFAOYSA-N 300.380 -0.448 30 20 DBED N#CCC(=O)Nc1ccc(C(=O)OCC(=O)NCC(=O)O)cc1 821320621 SDFQYAXWDLUDGC-UHFFFAOYSA-N 319.273 -0.104 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N[C@@H]1CCN(C(C)C)C1=O 875217710 MUKIYFSJRCJGLL-QWHCGFSZSA-N 323.393 -0.344 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2nnc(CC)s2)CC1 900562115 PTCYDOLNBZRNEK-UHFFFAOYSA-N 321.406 -0.392 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](NC(=O)c2ccc(=O)n(C)c2)C1 941456225 IYJIZEKNQRMNRF-CMPLNLGQSA-N 302.334 -0.124 30 20 DBED CN1CC[C@H](NCC2(O)CCN(C(=O)C#CC3CC3)CC2)C1=O 946922686 USROHNZEZPJFNN-AWEZNQCLSA-N 319.405 -0.426 30 20 DBED C#CCN1CC[C@@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)C[C@@H]1C 947895564 OMIYXKMMQBWUAC-NWDGAFQWSA-N 320.393 -0.081 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@@H]2CCN2C(=O)Cc2nc[nH]n2)c1 949292156 CKBIADKABWRKSO-JTQLQIEISA-N 313.321 -0.422 30 20 DBED CN(C(=O)[C@H]1CC[C@@H]1C(N)=O)C1CN(C(=O)C#CC2CC2)C1 954954273 CBCDIASAHITQJM-STQMWFEESA-N 303.362 -0.420 30 20 DBED C[C@@]1(NC(=O)[C@@H]2CCC(=O)N2)CCN(C(=O)C#CC2CC2)C1 957253290 WMRPXPKIDFLSHQ-BLLLJJGKSA-N 303.362 -0.214 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2cn(C)nc2C2CC2)C1 958100755 GNSUPPGFXFNNBC-OCCSQVGLSA-N 302.378 -0.047 30 20 DBED N#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cnn3ncccc23)C1 958136185 ZSORZDDWASTXEW-GXFFZTMASA-N 300.322 -0.725 30 20 DBED Cc1cc(C(=O)N(C)[C@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)no1 958475987 VLVPBFMSXNKOSY-UWJYBYFXSA-N 306.322 -0.214 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](CNC(=O)C2CC(=O)NC(=O)C2)C1 958484760 CXNJQMXPZOEIKP-CHWSQXEVSA-N 323.393 -0.586 30 20 DBED N#CCN1C[C@H](O)[C@H](CNC(=O)c2cnn3c2CCCC3)C1 958558344 GPSVYOKOALDVOK-RISCZKNCSA-N 303.366 -0.235 30 20 DBED N#CCN1C[C@H](CNC(=O)c2cncnc2C2CC2)[C@@H](O)C1 958634545 BMKHJNWPCXQEIV-AAEUAGOBSA-N 301.350 -0.100 30 20 DBED CC#CCN1C[C@H](O)[C@H](CNC(=O)c2c[nH]c(C(N)=O)c2)C1 958683429 GIAVHXBHNJQGQK-YPMHNXCESA-N 304.350 -0.841 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)[C@H]1CN(C(=O)CC)C[C@@H]1O 958878449 SZTOHSQCHJZCCF-IHRRRGAJSA-N 307.394 -0.476 30 20 DBED CCN1CCN(S(=O)(=O)C2CN(C(=O)[C@H](C)C#N)C2)CC1 961067977 RRLNKPMQBYHXQE-LLVKDONJSA-N 314.411 -0.676 30 20 DBED CC#CCN1C[C@@H]2C(NC(=O)[C@@H]3Cc4cncn4C(=O)N3)[C@H]2C1 961315746 USJUMJVRGRZERK-AVGNSLFASA-N 313.361 -0.565 30 20 DBED N#Cc1c[nH]c(C(=O)N2C[C@H](O)[C@H](NC(=O)c3cocn3)C2)c1 961875997 BHCQMRNBQVRDIT-PWSUYJOCSA-N 315.289 -0.510 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(C1)CN(C(=O)[C@@H]1CCN(C)C1)CCO2 965383617 YNZNTFUVNQZODL-QWHCGFSZSA-N 320.393 -0.462 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC2(C1)CN(C(=O)[C@H]1CCOC1)C2 965466786 QIHILDIGRSYINW-RYUDHWBXSA-N 307.350 -0.378 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)c1cnnn1C 966399489 MCNDJBZQLFHLNP-ZYHUDNBSSA-N 301.350 -0.195 30 20 DBED C#CCN1CC([C@@H](C)NC(=O)c2cc(=O)n3[nH]cnc3n2)C1 970738235 TVFJCVBVXOZANM-SECBINFHSA-N 300.322 -0.899 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)C2)C1 972430483 GMKDBFNNJTXPKT-BFYDXBDKSA-N 321.421 -0.358 30 20 DBED Cn1ccc(CC(=O)N[C@H]2[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]32)n1 976487338 KOHAHGKYOOBZHC-HALDLXJZSA-N 312.373 -0.051 30 20 DBED C[C@]1(C(=O)N[C@H]2[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]32)CNC(=O)C1 976857301 YSDCJHNYWAPCHP-PZNPJNSTSA-N 315.373 -0.501 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](N(C)C(=O)C(N)=O)C1 984671830 ZABRSAUSPQJIQV-TUAOUCFPSA-N 309.366 -0.488 30 20 DBED Cn1ccc(C(=O)N[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]2O)n1 991498622 DDUOHPVDFBTXRW-OCCSQVGLSA-N 316.361 -0.475 30 20 DBED C[C@H]1[C@H](NC(=O)CN2CCC(=O)NC2=O)CCCN1CC#N 994170134 UWMZKLHKVWLWGL-WDEREUQCSA-N 307.354 -0.579 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)c2cncnc2O)C1 994441827 WYRATHVRPBRGPF-PWSUYJOCSA-N 318.333 -0.286 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC(NC(=O)c2cnco2)C1 996677835 YOZMUIOPCMBOAF-LBPRGKRZSA-N 302.334 -0.287 30 20 DBED Cn1nnc(C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](NCC#N)C2)n1 998278529 UKTUWAFRYKYUBB-SFYZADRCSA-N 317.275 -0.284 30 20 DBED C#Cc1cncc(C(=O)NC[C@@H]2C[C@@H](C)N(C(=O)C(N)=O)C2)c1 1010294898 KIUKPZQQJDIBBJ-PWSUYJOCSA-N 314.345 -0.485 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C(=O)CN2CCCCC2=O)CC1 1011451084 PMXVLOXUFUQXFW-LBPRGKRZSA-N 306.366 -0.171 30 20 DBED C=CCN1CC[C@@H](N[C@H]2CCN(C(=O)c3cnn(C)n3)C2)C1=O 1019509898 UJJRTFLQIBEHGQ-NWDGAFQWSA-N 318.381 -0.594 30 20 DBED C=C(C)CN[C@H]1CCN(C(=O)CN2CCS(=O)(=O)CC2)C1 1019768344 MWECBEZZARFMOZ-ZDUSSCGKSA-N 315.439 -0.517 30 20 DBED C[C@H]1[C@@H](NC(=O)[C@H]2CC(=O)N(C)C2)CCN1C(=O)C#CC1CC1 1020249736 IHLROLBPEITRRP-UBHSHLNASA-N 317.389 -0.016 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]2CN(C(=O)CS(C)(=O)=O)C[C@H]21 1022564456 KHJFKJZFUYSHPL-GARJFASQSA-N 313.379 -0.750 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]2CN(C(=O)Cn3cncn3)C[C@H]21 1022567597 DLGHUHXIIUCUBM-GRYCIOLGSA-N 302.338 -0.503 30 20 DBED C#CCN1CCC(C(=O)N2C[C@@H](O)[C@H](NC(=O)C3CC3)C2)CC1 1022868819 XTKBBLGBVNSDLQ-HUUCEWRRSA-N 319.405 -0.571 30 20 DBED C#CCN1CCC[C@H](CNC(=O)[C@@H]2CN(C(C)=O)CCO2)C1 1023729208 JNUTTYNQXACABJ-CABCVRRESA-N 307.394 -0.305 30 20 DBED C#CCCN1CCCC[C@H]1CNC(=O)[C@@H]1CCS(=O)(=O)N1 1024805921 FMIGDZMIDRYPGT-STQMWFEESA-N 313.423 -0.328 30 20 DBED C#Cc1ccccc1CC(=O)N[C@@H]1CN(C(=O)COC)C[C@H]1O 1024954369 NPVHOOBBIHSXCM-HUUCEWRRSA-N 316.357 -0.455 30 20 DBED C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2cn(C)c(=O)nc2O)C1 1025619853 ZWQAYQYUWXWMNR-NEPJUHHUSA-N 318.377 -0.051 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1[C@@H]2CN([C@@H]3CCNC3=O)C[C@@H]21 1026101846 MPERYEVQIHAFQB-TVDPOAAXSA-N 319.405 -0.098 30 20 DBED CC#CCN1[C@H]2CC[C@H]1CN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)C2 1029472289 ZTECJQLKMZJXRY-XDQVBPFNSA-N 305.378 -0.282 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)c3nn(C)cc3C)C2)C1=O 1030296414 XTKMKHMTEONRSW-ZDUSSCGKSA-N 317.393 -0.071 30 20 DBED C=C(Cl)CN1C[C@H]2C[C@H]1[C@@H]2NC(=O)CN1CCNC(=O)C1 1037544586 OJRVISVJPHPCOM-UHIISALHSA-N 312.801 -0.640 30 20 DBED C#CCCCC(=O)N1CC[C@@](O)(CNC(=O)c2ncn(C)n2)C1 1039619899 TVANPDCLLKVKTA-OAHLLOKOSA-N 319.365 -0.688 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)c2n[nH]cc2F)C1 1040834870 NUIMVZYDZZYQHN-AMIZOPFISA-N 309.301 -0.598 30 20 DBED N#Cc1cnc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCOC3)C2)cn1 1040945730 VUBZCAKLQXEDBM-CYZMBNFOSA-N 317.349 -0.559 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@]2(CCN(Cc3nnnn3C)C2)C1 1041147624 UBANHSIKWIVJME-SMDDNHRTSA-N 303.370 -0.206 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)c2ccnn2C)C1 1041897114 CVLDIRRNJJUZFF-UHFFFAOYSA-N 304.350 -0.617 30 20 DBED C=CCN1CC[C@H]2CCN(C(=O)Cn3cnc(C(N)=O)n3)C[C@H]21 1042066629 HSOFNDFVVSFDHE-NWDGAFQWSA-N 318.381 -0.514 30 20 DBED CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2cc(C#N)c[nH]2)C1 1042401501 NSANDAOURNULSR-JTQLQIEISA-N 320.349 -0.386 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)CN2CCCC2)C1 1042801794 UOKIRJIMVSLFFU-UHFFFAOYSA-N 307.394 -0.425 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)c2cccn2C)C1 1043036113 JKZGKBVQSVFHPV-GFCCVEGCSA-N 319.361 -0.634 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)[C@@H](F)C(C)C)C1 1043043692 OJZZOMWIXDQXNN-NEPJUHHUSA-N 314.357 -0.292 30 20 DBED C=CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2cc[nH]n2)C1 1043572515 VZVYWEZZXXWMKA-JTQLQIEISA-N 308.338 -0.696 30 20 DBED N#Cc1nccnc1N1C[C@H](O)[C@H](NC(=O)C2CCOCC2)C1 1043827778 QUECLVOPCPDUPR-OLZOCXBDSA-N 317.349 -0.559 30 20 DBED N#Cc1cccnc1N1C[C@H](O)[C@H](NC(=O)[C@]2(F)CCOC2)C1 1044426167 LKWXUFAKULFGCM-XUJVJEKNSA-N 320.324 -0.252 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)c3n[nH]cc3F)C2)nn1 1044493900 HKMKIWJRKGYWIC-ZJUUUORDSA-N 317.284 -0.810 30 20 DBED C=C1CC(C)(C(=O)NCC2(O)CN(C(=O)[C@@H](C)NC(C)=O)C2)C1 1046303598 ZKUCKAGZJXDOSF-LLVKDONJSA-N 323.393 -0.443 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)Cc2nnn(C(C)(C)C)n2)C1 1047394218 NMTUFZHRRSRBKR-RYUDHWBXSA-N 322.413 -0.340 30 20 DBED CC(=O)N[C@H](C)C(=O)N(C)[C@H]1CN(C(=O)C#CC(C)C)C[C@@H]1O 1048136326 SASMIINRPHVCFM-XBFCOCLRSA-N 323.393 -0.800 30 20 DBED C#CCCCC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@@H]1O 1048750644 ZOVPOEFTVABCMO-KKUMJFAQSA-N 321.421 -0.086 30 20 DBED C=CCO[C@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2nc[nH]n2)C1 1049196572 NOHGRFZGXSFWEL-VWYCJHECSA-N 323.353 -0.961 30 20 DBED C#CCCN1CCOC[C@@H]1CNC(=O)c1ccc(C(N)=O)cn1 1051267300 ZLEWQPKQXKZJNX-ZDUSSCGKSA-N 316.361 -0.366 30 20 DBED Cn1cc(C(=O)N[C@H]2CCCN(CC#N)CC2)c(O)nc1=O 1052929913 PXLCJTFPFAQBMY-JTQLQIEISA-N 305.338 -0.406 30 20 DBED CC[C@@H](C(N)=O)N1CC2(CN(C(=O)C#CC3CC3)CCO2)C1 1053250669 QTKXBUHVUBRLPB-ZDUSSCGKSA-N 305.378 -0.423 30 20 DBED C=CCN1CC2(C[C@H](NC(=O)[C@H](C)N3C(=O)CCC3=O)CO2)C1 1053820866 NSBGBSUQNMTJNQ-RYUDHWBXSA-N 321.377 -0.331 30 20 DBED COc1cc(C(=O)N[C@H]2COC3(C2)CN(CC#N)C3)nn1C 1053866069 QQRLLZSHVXJIBJ-SNVBAGLBSA-N 305.338 -0.475 30 20 DBED C=CCN1CC2(C[C@@H](NC(=O)c3ccc(C(N)=O)cn3)CO2)C1 1054022580 KWAJVSZLNBQMBW-GFCCVEGCSA-N 316.361 -0.060 30 20 DBED C#CCN1CC[C@@]2(CCCN(C(=O)CN3CCOCC3=O)C2)C1 1054146579 MUOMNMVUNVOWAU-KRWDZBQOSA-N 319.405 -0.207 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2CN(C(=O)CCN(C)C)C[C@@H]2C1 1055339281 BGDHZXWQIVXSHB-SOUVJXGZSA-N 321.421 -0.107 30 20 DBED Cn1cnc(C(=O)NC2[C@H]3CN(c4cncc(C#N)n4)C[C@H]23)c1 1056186904 PLFKZQULNDFVOI-QWRGUYRKSA-N 309.333 -0.054 30 20 DBED C=C[C@](C)(O)CC(=O)NCCN(CCO)C(=O)[C@@H]1CCCO1 1056894041 HHSQADMAWQOGRL-WFASDCNBSA-N 314.382 -0.570 30 20 DBED C=C(C)CCC(=O)NCCN(CCO)C(=O)CNC(=O)OC 1057093687 NYUVJYQNWQWPPB-UHFFFAOYSA-N 315.370 -0.364 30 20 DBED CC(C)(C)C#CC(=O)NCCN(CCO)C(=O)[C@H]1CCC(=O)N1 1057200197 IKNHBYHYEAMCHI-GFCCVEGCSA-N 323.393 -0.748 30 20 DBED C=C(C)CCC(=O)NCCN(CCO)C(=O)[C@H]1CCC(=O)N1 1057204385 WJRGDUOMJSYNME-GFCCVEGCSA-N 311.382 -0.442 30 20 DBED C=C1CCC(C(=O)NCCN(CCO)C(=O)CC(N)=O)CC1 1057243841 HIQYIMSAGZCFEJ-UHFFFAOYSA-N 311.382 -0.455 30 20 DBED N#Cc1cc(C(=O)N(CCO)CCNC(=O)c2cn[nH]c2)c[nH]1 1057391997 VZIXNPXCWWIAFM-UHFFFAOYSA-N 316.321 -0.526 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)Cn1nccn1 1057441407 BYVOWCMXKYOOJH-UHFFFAOYSA-N 307.354 -0.981 30 20 DBED C=CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)[C@@H]1CCCO1 1057921160 AZLHQSRZBPVPQR-STQMWFEESA-N 314.382 -0.306 30 20 DBED C=CC(C)(C)C(=O)N(CCO)CCNC(=O)c1cnnc(O)c1 1058304059 SCGBYLGFNZYLCO-UHFFFAOYSA-N 322.365 -0.055 30 20 DBED N#Cc1nccc(N2CC[C@H](NC(=O)[C@@H]3COC(=O)N3)C2)n1 1058350117 DAVLMLMEXPYDPW-IUCAKERBSA-N 302.294 -0.848 30 20 DBED C=CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)c1cnon1 1058513721 MESMBLMCETVOEJ-JTQLQIEISA-N 312.326 -0.789 30 20 DBED N#Cc1nc(=N[C@H]2CCN(C(=O)CO[C@@H]3CCOC3)C2)cc[nH]1 1058967061 BQFYKWSYFSKKDU-NWDGAFQWSA-N 317.349 -0.412 30 20 DBED C=CCCC(=O)N1CC[C@H](CCNC(=O)[C@@H]2CNC(=O)N2)C1 1059315400 GZXDKZVCCYUFFB-RYUDHWBXSA-N 308.382 -0.011 30 20 DBED C=CCCCC(=O)N1CCOC[C@@H]1CNC(=O)CNC(C)=O 1061224753 TWUTVSJEZJTKMJ-ZDUSSCGKSA-N 311.382 -0.178 30 20 DBED CO[C@H](C)C(=O)NC[C@H]1COCCN1C(=O)CSCC#N 1061362770 KZDQIFWEPAZCRX-MNOVXSKESA-N 315.395 -0.378 30 20 DBED N#Cc1nccc(N2CC[C@@H](CNC(=O)c3nccnc3N)C2)n1 1061551643 SBKHWUCSLKUCJD-JTQLQIEISA-N 324.348 -0.023 30 20 DBED C=CCCCC(=O)NC[C@@H]1COCCN1C(=O)c1nnn(C)n1 1061829298 NQEQLPWMXVQXDP-LLVKDONJSA-N 322.369 -0.476 30 20 DBED C=CCO[C@H](C)C(=O)NC1(CNC(=O)Cn2cnnn2)CCC1 1062500791 ZTTUYDOGXMICRJ-LLVKDONJSA-N 322.369 -0.581 30 20 DBED N#Cc1ccc(N2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CCNC2=O)nn1 1062555782 NCGYXQSYABCBCV-SRVKXCTJSA-N 312.333 -0.726 30 20 DBED N#Cc1cncc(NC[C@H]2CCCC[C@@H]2NC(=O)C(N)=O)n1 1064187984 JZTPDMVYWCMLKY-KOLCDFICSA-N 302.338 -0.080 30 20 DBED C#CCOCCC(=O)NC[C@H]1CN(C(=O)[C@@H]2CCCO2)CCO1 1064816412 AJEHMRUHEBOWMR-KBPBESRZSA-N 324.377 -0.451 30 20 DBED N#Cc1nccnc1N1CCOC[C@@H]1CNC(=O)c1ccon1 1066469061 VIFRWWFUNYZVBD-JTQLQIEISA-N 314.305 -0.029 30 20 DBED C=C[C@](C)(O)CC(=O)N(C)CCCN(C)C(=O)CNC(C)=O 1066661890 KFRCLINCQQCKHE-HNNXBMFYSA-N 313.398 -0.244 30 20 DBED Cn1cc(C(=O)NC[C@H]2[C@@H]3CN(c4ccc(C#N)nn4)C[C@H]23)nn1 1068169740 RTOJVMYXBPFVOA-CNDDSTCGSA-N 324.348 -0.411 30 20 DBED COCC(=O)N1CCO[C@H]([C@H](C)N=c2cc[nH]c(C#N)n2)C1 1068218003 HUNLEEYUQMATQF-QWRGUYRKSA-N 305.338 -0.556 30 20 DBED C=C(C)CN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H]2COCCO2)C1 1069898498 OKMGMWGYQDVWDT-HZSPNIEDSA-N 321.381 -0.389 30 20 DBED C#CCN[C@@H]1CN(C(=O)Cc2cncnc2)C[C@@H]1n1ccnn1 1070185518 ZJFLRTFKKDEEGA-KGLIPLIRSA-N 311.349 -0.715 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CCCN(C(=O)c2cn(C)nn2)C1 1070687674 UAJCDBRQFDGYPU-NWDGAFQWSA-N 319.365 -0.426 30 20 DBED N#CCN1CCNC(=O)CCN(C(=O)CCc2cnc[nH]2)CC1 1070969489 UBTLACHEDTYOSO-UHFFFAOYSA-N 318.381 -0.484 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)C[C@H]2CCC(=O)N2)CC1 1071008199 MZODSTIHKROSTJ-CYBMUJFWSA-N 322.409 -0.508 30 20 DBED CC(=O)NCC(=O)N1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@H](C)C1 1071496075 OMGMPKCDRBPSQF-NOZJJQNGSA-N 317.349 -0.401 30 20 DBED C=CCCOCC(=O)N[C@H]1CN(C(=O)CNC(N)=O)C[C@H]1C 1071581240 HIHVMROGWOIJRD-MNOVXSKESA-N 312.370 -0.790 30 20 DBED C=CCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)CS(=O)(=O)NC)C1 1071784536 GAYPOXSWNXFIKD-MNOVXSKESA-N 317.411 -0.535 30 20 DBED C#CCOCCC(=O)N[C@H]1CN(C(=O)CC(=O)NCC)C[C@H]1C 1071943752 RBEGDIHSQFTJEY-OLZOCXBDSA-N 323.393 -0.484 30 20 DBED C[C@H]1CN(C(=O)C#CC(C)(C)C)C[C@@H]1NC(=O)Cn1cnnn1 1072059505 CWICTJKSWNXETE-RYUDHWBXSA-N 318.381 -0.314 30 20 DBED C=CCCC(=O)N[C@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@@H]1C 1072166026 WJJSXWPNPGVCKL-JQWIXIFHSA-N 314.407 -0.040 30 20 DBED C=CCn1cc(C(=O)N2CCC(O)(CNC(=O)CC)CC2)nn1 1074592588 WRGKQQFKNRXJFD-UHFFFAOYSA-N 321.381 -0.043 30 20 DBED C=CCOCC(=O)N1CC[C@@H](NC(=O)C2(C(N)=O)CC2)C[C@@H]1C 1075140088 SZKQZPVDIHTXPC-NWDGAFQWSA-N 323.393 -0.050 30 20 DBED N#Cc1cc(C(=O)N2CC[C@H]3CN([C@@H]4CCNC4=O)C[C@H]32)c[nH]1 1075709947 USQNUOKUYYSLLJ-ZLKJLUDKSA-N 313.361 -0.079 30 20 DBED COCC(=O)N[C@@H](C)C(=O)N[C@@H](C)CCNC(=O)C#CC1CC1 1076432491 SLYHQKXXEFBCDL-RYUDHWBXSA-N 323.393 -0.438 30 20 DBED C[C@@H](CCNC(=O)c1cccn2nnnc12)NC(=O)[C@H](C)C#N 1076682949 WSHUCIYKUJEEFU-ZJUUUORDSA-N 315.337 -0.091 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CN(Cc3ncccn3)C[C@H]2O)c[nH]1 1076907706 ZKYRFKVBWKTXDS-CHWSQXEVSA-N 312.333 -0.349 30 20 DBED C=CCOCC(=O)N1CC(N(CC)C(=O)[C@H](COC)OC)C1 1080493867 SYHWSUXEOHJVFY-ZDUSSCGKSA-N 314.382 -0.090 30 20 DBED C[C@@H](C#N)C(=O)NC1(CO)CCN(C(=O)[C@H](C)CC(N)=O)CC1 1080983277 JRUMYLZLIUTMGW-MNOVXSKESA-N 324.381 -0.873 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2cc[nH]n2)C[C@@H]1O 1081343554 DQAHUPVRNRCSTF-PWSUYJOCSA-N 308.338 -0.839 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)Cn2cccn2)C[C@H]1O 1081442416 VBIKXUXHIQZPMD-UONOGXRCSA-N 318.377 -0.378 30 20 DBED C=C(C)CCC(=O)NC[C@@H]1CN(C(=O)CC(=O)NC)C[C@@H]1O 1081531511 TZVJZQULONAEIC-NEPJUHHUSA-N 311.382 -0.586 30 20 DBED C=CC(C)(C)C(=O)NC[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@@H]1O 1081639759 CNIHRNOFPWDTLY-MNOVXSKESA-N 321.381 -0.424 30 20 DBED C=CC(C)(C)CC(=O)N1C[C@H](O)[C@H](CNC(=O)c2nc[nH]n2)C1 1081652960 HZNVUVCTLPEBSI-MNOVXSKESA-N 321.381 -0.044 30 20 DBED C=C(C)CCC(=O)N1C[C@H](CNC(=O)c2nc[nH]n2)[C@@H](O)C1 1081654739 ZSAFLXGJZPZXDN-QWRGUYRKSA-N 307.354 -0.290 30 20 DBED C#CCCN1C[C@@H](NC(=O)[C@H]2CCNC(=O)CC2)[C@H](OC)C1 1081986786 WNMWSLNMZKHLAJ-MGPQQGTHSA-N 307.394 -0.259 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2c[nH]nc2-c2ccccn2)C1 1083513966 HQKBVBLZVVZXHK-OLZOCXBDSA-N 312.333 -0.230 30 20 DBED C#CCN1CCC(C(=O)N[C@@H]2CN([C@@H](C)COC)C[C@@H]2O)CC1 1084088104 PWPKHZUHBGKOMS-IMJJTQAJSA-N 323.437 -0.472 30 20 DBED C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1cn(CC(N)=O)nn1 1085986485 FKVJAEPKKHEZIP-LLVKDONJSA-N 306.370 -0.514 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2nn3c(c2C)OCCC3)[C@H](O)C1 1090312323 GNSHIZRIOQAJHE-CHWSQXEVSA-N 318.377 -0.228 30 20 DBED N#Cc1nccc(N2C[C@H](O)[C@H](NC(=O)CC(F)(F)F)C2)n1 1091078403 PAPJJULQDCUUON-SFYZADRCSA-N 315.255 -0.034 30 20 DBED CO[C@H](C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O)C1CC1 1091099079 BHBZJXJLCVWWSL-SUNKGSAMSA-N 317.349 -0.561 30 20 DBED COCC(=O)N[C@H]1CCN(c2cc(C)ncc2C#N)C[C@@H]1O 1092125485 DNNBQTCJBYLGKQ-JSGCOSHPSA-N 304.350 -0.036 30 20 DBED COCC(=O)N[C@@H]1CCN(c2ccc(C#N)c(C)n2)C[C@@H]1O 1092126366 LJKHFZSGRWNUSA-OLZOCXBDSA-N 304.350 -0.036 30 20 DBED C[C@@H](CC(N)=O)C(=O)N1CCN(c2cnc(C#N)cn2)CC1 1093194610 UJCWTKXKHCKSEW-JTQLQIEISA-N 302.338 -0.492 30 20 DBED CC[C@@H](NC(C)=O)C(=O)N1CCN(c2ccnc(C#N)n2)CC1 1093197099 ZMYUEADYTPWFMM-GFCCVEGCSA-N 316.365 -0.088 30 20 DBED C#CCNC(=O)CC(=O)NCCNc1nc(C)cc(C#N)n1 1093558285 LVGIENKRCMKUAX-UHFFFAOYSA-N 300.322 -0.676 30 20 DBED Cc1cc(=NCCNC(=O)COCCN(C)C)c(C#N)c[nH]1 1093750180 OIDUESXKLGVXID-UHFFFAOYSA-N 305.382 -0.210 30 20 DBED CN(C)C(=O)C1(C(=O)NCCNc2ccc(C#N)nn2)CC1 1093852380 IMIICDKPXPFPKX-UHFFFAOYSA-N 302.338 -0.255 30 20 DBED N#Cc1nc(=NCCNC(=O)[C@@H]2CCc3nccn3C2)cc[nH]1 1093958446 OXNTXXDZNGXBKJ-LLVKDONJSA-N 311.349 -0.243 30 20 DBED COCC(=O)NCCC(=O)NCCNc1cncc(C#N)n1 1094196673 MXSGYIOGAKZSMX-UHFFFAOYSA-N 306.326 -0.971 30 20 DBED COCC(=O)NCCC(=O)NCCNc1ccc(C#N)nc1 1094197646 AXIJOJJSKXYDOL-UHFFFAOYSA-N 305.338 -0.366 30 20 DBED N#Cc1c[nH]ccc1=NCCNC(=O)c1cnc2n1CCOC2 1094220151 ILJLKYRZUPYAPL-UHFFFAOYSA-N 312.333 -0.056 30 20 DBED COC(=O)[C@H]1C[C@H]1C(=O)NCc1cn(C2CN(CC#N)C2)nn1 1094279635 OXYURHDZDVBXTC-NEPJUHHUSA-N 318.337 -0.916 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)Cc3ccco3)CC2=O)C1 1094799979 VFVOZDKSDBOGEJ-LBPRGKRZSA-N 301.346 -0.143 30 20 DBED N#Cc1ccc(N2CCC[C@H](NC(=O)CCNC(N)=O)C2)nn1 1096181071 RXAPWLGYVDIABU-NSHDSACASA-N 317.353 -0.508 30 20 DBED C[C@H](CC(=O)N[C@H]1CCN(c2cnc(C#N)cn2)C1)NC(N)=O 1096440022 QGTFWDQUUKQQRL-ZJUUUORDSA-N 317.353 -0.510 30 20 DBED CCC(=O)N[C@@H](C)C(=O)N[C@H]1CCN(c2nccnc2C#N)C1 1096495805 SRHWLUURQJCEDH-QWRGUYRKSA-N 316.365 -0.042 30 20 DBED COc1nc(C(=O)NC[C@@H](C)N=c2cc[nH]c(C#N)n2)co1 1098166742 WNSHZIKPGGOJQR-MRVPVSSYSA-N 302.294 -0.003 30 20 DBED Cc1nc(N[C@@H](C)CNC(=O)[C@@H]2CNC(=O)N2)ccc1C#N 1098250130 HTMOTICSVXXBBC-KWQFWETISA-N 302.338 -0.140 30 20 DBED C=CCNC(=O)CN1CC(C)(C)CC[C@@H]1CNC(=O)CC(N)=O 1098993066 LFEXOCWLSHQIAS-GFCCVEGCSA-N 324.425 -0.229 30 20 DBED C#CCN1C[C@H](NC(=O)CNC(C)=O)CC2(CCOCC2)C1 1099560050 OVFANJNHTQZSKT-CQSZACIVSA-N 307.394 -0.257 30 20 DBED C[C@H](CCNC(=O)C1(C(N)=O)CC1)N=c1cc[nH]c(C#N)n1 1099658685 VGEMAJQWJXYCFE-SECBINFHSA-N 302.338 -0.658 30 20 DBED C#CCCN1CC[C@@H](NC(=O)COCc2ccnn2C)[C@H](O)C1 1099890974 YLBAWMLLPXGIIE-HUUCEWRRSA-N 320.393 -0.489 30 20 DBED CC1(C(=O)N[C@@H]2CCN(CC(=O)NCC#N)C[C@@H]2O)CC=CC1 1099979443 UVMAMSRMLWFZCL-OLZOCXBDSA-N 320.393 -0.466 30 20 DBED CC#CCN1CC[C@H](NC(=O)CS(=O)(=O)C(C)C)[C@H](O)C1 1100115929 ICTJATQMMCLZTQ-QWHCGFSZSA-N 316.423 -0.616 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)C(C)(C)NC(=O)NC)[C@@H](O)C1 1100126792 MRKVYAGYZNNGDR-RYUDHWBXSA-N 312.414 -0.179 30 20 DBED CCN(CCNC(=O)[C@H]1CC[C@H]1C(N)=O)c1ccnc(C#N)n1 1100695321 TUSBPWANLPKAKJ-MNOVXSKESA-N 316.365 -0.198 30 20 DBED CCN(CCNC(=O)[C@H](COC)OC)c1nccnc1C#N 1100712607 WZWWZGCPHCDQCU-LBPRGKRZSA-N 307.354 -0.048 30 20 DBED CCN(CCNC(=O)CNC(=O)NC)c1cnc(C#N)cn1 1100750042 DGBXSVHEBQVKGQ-UHFFFAOYSA-N 305.342 -0.780 30 20 DBED CC(=O)N[C@H](C)C(=O)NC[C@H]1CCCN1c1ccnc(C#N)n1 1100776418 HMCUUAHXCRXNSZ-ZYHUDNBSSA-N 316.365 -0.042 30 20 DBED CC(=O)N(C)CC(=O)NC[C@H]1CCCN1c1nccnc1C#N 1100789561 JZIKUWJUOBBWHT-GFCCVEGCSA-N 316.365 -0.088 30 20 DBED C[C@H](NC(N)=O)C(=O)NC[C@H]1CCCN1c1ccnc(C#N)n1 1100825604 UAWGNBWNLVYIMD-VHSXEESVSA-N 317.353 -0.510 30 20 DBED CCC(=O)NCC(=O)NC[C@H]1CCN(c2ccnc(C#N)n2)C1 1100951371 BUGPFHIZTAVLJV-LLVKDONJSA-N 316.365 -0.183 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)[C@@H](C)OCC=C)C1 1101058784 UQNDFGPKRVZFIU-IYXRBSQSSA-N 307.394 -0.189 30 20 DBED CN(CCNc1cncc(C#N)n1)C(=O)C1CS(=O)(=O)C1 1101794676 VOXMFEUCUIORBJ-UHFFFAOYSA-N 309.351 -0.737 30 20 DBED C[C@H](NC(N)=O)C(=O)N(C)[C@@H](C)CNc1ccc(C#N)nn1 1104535330 QXTTYYSHFDZDKV-IUCAKERBSA-N 305.342 -0.336 30 20 DBED C=CCCNCc1cn(C2CN(C(=O)CC(=O)NCC)C2)nn1 1105219666 KKRFOJLSVRVWTR-UHFFFAOYSA-N 320.397 -0.147 30 20 DBED Cc1nn[nH]c1C(=O)N1CC(n2cc(CNCC#N)nn2)C1 1105294856 KBQUDANNKWBRBQ-UHFFFAOYSA-N 301.314 -0.985 30 20 DBED CN(CCN(C)c1ccc(C#N)nn1)C(=O)c1cn(C)nn1 1105383767 FIPWROKTDVMBJY-UHFFFAOYSA-N 300.326 -0.315 30 20 DBED C[C@H](C(=O)NC[C@@H](O)CNc1cncc(C#N)n1)n1cccn1 1105767093 JLACGEBRBRKTAL-PWSUYJOCSA-N 315.337 -0.305 30 20 DBED N#Cc1nc(=NC[C@H](O)CNC(=O)[C@H]2CCCOCC2)cc[nH]1 1105802899 UEMKXUANZKFOJQ-RYUDHWBXSA-N 319.365 -0.524 30 20 DBED Cc1nsc(NC[C@H](O)CNC(=O)c2ncn(C)n2)c1C#N 1105816412 YSFKRCGWDHFNSM-MRVPVSSYSA-N 321.366 -0.346 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)CN2CCCC2)cn1 1105856608 WRSNRQPYMCGERQ-CQSZACIVSA-N 303.366 -0.062 30 20 DBED COCCOCCC(=O)NC[C@@H](O)CNc1ccc(C#N)nc1 1105880592 FPACGSKVUYYDFY-AWEZNQCLSA-N 322.365 -0.105 30 20 DBED N#Cc1cccnc1NC[C@H](O)CNC(=O)Cc1ncc[nH]1 1105937337 JSJXLDBIWGAQPY-LLVKDONJSA-N 300.322 -0.192 30 20 DBED C[C@@H](CCNc1cncc(C#N)n1)NC(=O)[C@@H]1CNC(=O)N1 1106542714 IHFXTQDDSPAXLK-WPRPVWTQSA-N 303.326 -0.664 30 20 DBED C=CCNC(=O)[C@@H](C)NC[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1C 1106782603 ZOOMUKWVVWGMHU-IJLUTSLNSA-N 320.397 -0.207 30 20 DBED Cc1cc(C#N)nc(NC/C=C/CNC(=O)CCNC(N)=O)n1 1107190301 VXJAPZDLWCNKNT-NSCUHMNNSA-N 317.353 -0.201 30 20 DBED N#Cc1cncc(NC/C=C\CNC(=O)[C@@H]2CCC(=O)N2)n1 1107280193 JBISNIOVGXUWAD-BVBSBALXSA-N 300.322 -0.289 30 20 DBED C#CCNC(=O)CC(=O)NC[C@]12CCC[C@H]1N(C[C@@H](C)O)CC2 1107374500 UWTKVHSYJPPXRI-CKEIUWERSA-N 321.421 -0.133 30 20 DBED COCC#CCN1CCO[C@@](C)(CNC(=O)c2cn[nH]c2)C1 1107768591 XUXLZFJHJPUHGR-HNNXBMFYSA-N 306.366 -0.120 30 20 DBED C=CCOCC(=O)NC[C@]1(C)CN([C@@H](CC)C(N)=O)CCO1 1107813363 RGURNGGLFMRJKH-SWLSCSKDSA-N 313.398 -0.340 30 20 DBED CC(C)NC(=O)CN1CCO[C@@](C)(CNC(=O)[C@H](C)C#N)C1 1107820943 GJKADSQHVAWZQR-DOMZBBRYSA-N 310.398 -0.122 30 20 DBED C#CCCN1CCO[C@@](C)(CNC(=O)[C@H]2CCC(=O)N2C)C1 1108157225 RHESBUPDJQOLDT-CJNGLKHVSA-N 307.394 -0.162 30 20 DBED C=CCn1cc(C(=O)NC[C@@]2(C)CN(CCOC)CCO2)nn1 1108265534 FVKTYSUOGBBSHH-HNNXBMFYSA-N 323.397 -0.069 30 20 DBED C#CCCN1CCO[C@@](C)(CNC(=O)CCn2cnnn2)C1 1108301001 KOWHBRHKPINWGU-AWEZNQCLSA-N 306.370 -0.706 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)[C@@H]2CCCN2C(N)=O)C1 1108439558 OGWZIFYKMDONGA-SWLSCSKDSA-N 308.382 -0.630 30 20 DBED C#CCNC(=O)CN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCN(C)C)C2 1108756237 DIIMQOHEUQVCCY-ZNMIVQPWSA-N 320.437 -0.343 30 20 DBED C[C@@H](CNc1cncc(C#N)n1)NC(=O)[C@@H](C)S(C)(=O)=O 1108773659 JDUXTTJLXGKJCR-DTWKUNHWSA-N 311.367 -0.302 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)[C@H]1CCC(=O)NC1 1108777041 YOPPLUAPJVHQPB-UWVGGRQHSA-N 302.338 -0.787 30 20 DBED C[C@H](CN(C)c1cncc(C#N)n1)NC(=O)[C@H]1C[C@H]1C(N)=O 1109243557 ZHLFUANWLCHVKB-IEBDPFPHSA-N 302.338 -0.589 30 20 DBED C[C@H](CN(C)c1nccnc1C#N)NC(=O)[C@H]1CCC(=O)NC1 1109305335 ODCPFOWRIDXKFJ-MNOVXSKESA-N 316.365 -0.185 30 20 DBED COCCC(=O)NC[C@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1112688989 HRIBYGYUIWHMLN-JQWIXIFHSA-N 305.338 -0.702 30 20 DBED C[C@H](C#N)C(=O)N1CCN(CC(=O)NCC(F)(F)F)CC1 1112711640 KMKOPDDIZBXATF-SECBINFHSA-N 306.288 -0.031 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)[C@@H](C)NC(=O)CC)CC1 1112880053 LSXUYELWQJGNRW-CHWSQXEVSA-N 322.409 -0.817 30 20 DBED C[C@H](CNC(=O)CCn1ccnn1)N(C)c1cncc(C#N)n1 1113579682 RZIWWRGPHRPJTI-LLVKDONJSA-N 314.353 -0.029 30 20 DBED Cc1occc1C(=O)NC1[C@H]2CN(CC(=O)NCC#N)C[C@H]12 1113830833 CCKSPZGLPBIRDG-RYUDHWBXSA-N 302.334 -0.112 30 20 DBED CCNC(=O)NC(=O)CN1C[C@H]2C(NC(=O)[C@@H](C)C#N)[C@@H]2C1 1114066629 GBIZBSSOOBUNNU-IVZWLZJFSA-N 307.354 -0.962 30 20 DBED C=CCOCCCC(=O)NC1[C@H]2CN(Cc3nnnn3C)C[C@H]12 1114109339 UAPSDDQLAJXTBN-RYUDHWBXSA-N 320.397 -0.261 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)Cc3cc(C)[nH]n3)[C@@H]2C1 1114123004 SMUCWGTZYSQXJB-ZIAGYGMSSA-N 302.378 -0.043 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)[C@H]3CCNC(=O)C3)[C@H]2C1 1114137022 QXMXRBHGPFEWEZ-RMRHIDDWSA-N 305.378 -0.791 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1[C@@H]2CN(Cc3cccnc3)C[C@@H]21 1114158174 QZBNXYCEAZNILI-HALDLXJZSA-N 312.373 -0.233 30 20 DBED C=C[C@](C)(O)CC(=O)NC1[C@@H]2CN(CC(=O)NCCC)C[C@@H]12 1114195018 ZGPVIBXVWXMUOK-HSMVNMDESA-N 309.410 -0.114 30 20 DBED CCNC(=O)NC(=O)CN1C[C@H]2[C@H](NC(=O)C#CC(C)C)[C@H]2C1 1114236809 BBRXKWHZMJVGNF-JYAVWHMHSA-N 320.393 -0.462 30 20 DBED C#CCO[C@H](C)C(=O)NC1[C@H]2CN(CC(=O)NC(C)C)C[C@H]12 1114271636 YPUAQDDWZATZEE-AGIUHOORSA-N 307.394 -0.404 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)c3cc(=O)n(C)cn3)[C@@H]2C1 1114422456 BTUAXYRRICCMOB-VXGBXAGGSA-N 316.361 -0.910 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3[nH]c(O)nc3C)[C@H]2C1 1114436817 OGRKAPMZJDYNHH-IWIIMEHWSA-N 319.365 -0.614 30 20 DBED N#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@@H]3CCC3(F)F)[C@H]2C1 1114447010 DUZOCIXEBYIIEA-MIZYBKAJSA-N 312.320 -0.282 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)[C@@H](C)S(C)(=O)=O)[C@H]2C1 1114475556 XDIDDTVNSDOJAQ-NDBYEHHHSA-N 314.407 -0.884 30 20 DBED C=CCCCN1C[C@H]2[C@H](NC(=O)Cn3ccc(O)nc3=O)[C@H]2C1 1114528749 BQBJCXYLFCTEMM-JYAVWHMHSA-N 318.377 -0.039 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)C(C)(C)COC)[C@H]2C1 1114569432 ZKCCYFXQGALAAH-RYUDHWBXSA-N 307.394 -0.545 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)[C@H]3CCNC(=O)CC3)[C@@H]2C1 1114619144 QYIXNUBRGZZXMQ-MGPQQGTHSA-N 319.405 -0.401 30 20 DBED N#CCNC(=O)CN1C[C@H]2C(NC(=O)c3ccc(O)nc3)[C@@H]2C1 1115192983 XMKBLRVMWOVQCG-GHMZBOCLSA-N 315.333 -0.913 30 20 DBED C#CCN1C[C@H]2[C@H](NC(=O)CCC(=O)N3CCOCC3)[C@H]2C1 1115208978 NMWQWXYVJBLTOW-VIKVFOODSA-N 305.378 -0.695 30 20 DBED C#CCOCCC(=O)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1116386574 KGAIJSQYEBZPHO-OAHLLOKOSA-N 307.350 -0.137 30 20 DBED Cc1cc(C(=O)NC[C@@H](CO)Nc2ccc(C#N)nn2)nn1C 1121150750 QTVBPVAEDWXJJB-NSHDSACASA-N 315.337 -0.407 30 20 DBED Cc1ccn(C)c1C(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1 1121359337 HJFIIVCBRVUMID-LLVKDONJSA-N 314.349 -0.380 30 20 DBED N#Cc1nc(=N[C@@H](CO)CNC(=O)CC[C@H]2CCOC2)cc[nH]1 1121417544 FAEZUNKGMQAKHZ-NWDGAFQWSA-N 319.365 -0.524 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H](CO)Nc1cc(OCC)ncn1 1122035198 FZTMCGRLSWOUKT-NEPJUHHUSA-N 322.365 -0.197 30 20 DBED COCC(C)(C)CC(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1 1122279900 ISDCCYRCPLKCOR-NSHDSACASA-N 321.381 -0.278 30 20 DBED N#Cc1nc(=N[C@@H](CO)CNC(=O)c2csc(O)n2)cc[nH]1 1122431015 RMTPRJLCNBZNBV-SSDOTTSWSA-N 320.334 -0.865 30 20 DBED N#Cc1ccc(OCCOC(=O)CN2CCNC(=O)C2)cc1 1122700686 AKCSQWRVQQFJNF-UHFFFAOYSA-N 303.318 -0.088 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H]1CC[C@@H](NC(=O)CNC(N)=O)C1 1123719471 PEWQIAWTFSPCER-ZYHUDNBSSA-N 316.365 -0.260 30 20 DBED COC[C@@H](C)OC[C@H](O)CNCCNC(=O)CSCC#N 1123792560 ZDFORSXIRNFVSJ-VXGBXAGGSA-N 319.427 -0.639 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)c1ccncc1 1124024262 QISDLQGVNPKZOO-GFCCVEGCSA-N 312.333 -0.290 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)c2cnn(CC)n2)C1=O 1126707244 WIHDJMQMTABMFQ-LLVKDONJSA-N 306.370 -0.596 30 20 DBED C#CCO[C@H](C)C(=O)NCCN[C@@H](C)C(=O)NCC(F)(F)F 1127052045 QBILQONMUZUGCA-VHSXEESVSA-N 323.315 -0.203 30 20 DBED C#CCN1CCn2ncc(CNC(=O)C3(C(N)=O)CC3)c2C1 1128476092 NHXQVQZTDQACBP-UHFFFAOYSA-N 301.350 -0.786 30 20 DBED COCC#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)CCOC)C1 1128628742 ZIATZGPSCQHJML-KGLIPLIRSA-N 321.381 -0.694 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CC(=O)N(C(C)C)C1 1128643893 NGPJPOFAKAEQLY-OLZOCXBDSA-N 324.425 -0.360 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CC)C[C@@H]1n1ccnn1 1129505453 AHPXMQJOIJKVQO-UPJWGTAASA-N 320.397 -0.280 30 20 DBED C#CCNC(=O)CN1CC[C@H](c2n[nH]cc2CNC(=O)CC)C1 1130340530 BWIBHYCYAFRPID-LBPRGKRZSA-N 317.393 -0.025 30 20 DBED COCC#CCN1C[C@H](NC(=O)Cn2cnnn2)CC[C@@H]1C 1131784827 ZDLGTRMTVFJTLJ-QWHCGFSZSA-N 306.370 -0.708 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)C1(CF)CCC1 1134040259 DIDUEQQOTVQBPC-UHFFFAOYSA-N 314.361 -0.156 30 20 DBED C#CCNC(=O)CNCCNC(=O)COCc1ccccc1C 1135019535 BCPSPZADWURWMM-UHFFFAOYSA-N 317.389 -0.033 30 20 DBED C=C(Cl)CNCCNC(=O)CNC(=O)C1CCOCC1 1135471665 IRFVBVGPHNRUAI-UHFFFAOYSA-N 303.790 -0.013 30 20 DBED N#CCN1CCC2(C1)CN(C(=O)CCCN1C(=O)CNC1=O)C2 1148726565 PNEMZKSKDSPTIF-UHFFFAOYSA-N 319.365 -0.624 30 20 DBED C=CCCO[C@H](C)C(=O)NC[C@@H]1CN(CC(N)=O)CCCO1 1149356746 SYRGCAZZPARLQW-CHWSQXEVSA-N 313.398 -0.340 30 20 DBED C#CCNC(=O)CNCCNC(=O)Cc1ccccc1OC 1150176339 STCBEXUWEDGXMM-UHFFFAOYSA-N 303.362 -0.307 30 20 DBED C#CCNC(=O)CC(=O)NCCCNCc1ncnn1CCC 1156857238 JHLOIBYMGKYZMM-UHFFFAOYSA-N 320.397 -0.577 30 20 DBED O=C(C#CC1CC1)NCCCNCC(=O)NC1CCOCC1 1157699158 QDSPLOBMPZWBEH-UHFFFAOYSA-N 307.394 -0.209 30 20 DBED C#CCOCCC(=O)NCCCNCc1nnc2n1CCOC2 1157859335 IDRJZWMFOISOAA-UHFFFAOYSA-N 321.381 -0.556 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)[C@@H](C)NC(=O)CC 1158663756 RHVSWDHPMCVYSP-NWDGAFQWSA-N 312.414 -0.312 30 20 DBED COCC#CCNCCCNC(=O)c1ccnc2c1CC(=O)N2 1161812113 QIMFQBRNIVDLJG-UHFFFAOYSA-N 316.361 -0.065 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1cc(CC)nnc1C 1163241545 BRKHWYSERSETFA-UHFFFAOYSA-N 317.393 -0.194 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)[C@@H]1CCCCC(=O)N1 1166462318 LIDJTILUXSVMOO-OLZOCXBDSA-N 324.425 -0.168 30 20 DBED C[C@H](CCCCNCC(=O)NCC#N)NC(=O)[C@@H]1CCC(=O)N1 1176245688 HZMCMWIMFZXMRT-NEPJUHHUSA-N 323.397 -0.831 30 20 DBED CN(C)c1ccnc(C(=O)NCCCNCC(=O)NCC#N)c1 1177344296 DCNNNCXJCHCCCE-UHFFFAOYSA-N 318.381 -0.503 30 20 DBED C#CCN[C@H]1CCN(C(=O)CNS(=O)(=O)CCCC)[C@H]1C 1180012005 DXKOKXSZMUWPKT-STQMWFEESA-N 315.439 -0.082 30 20 DBED N#CCNC(=O)CN[C@@H]1CCN(C(=O)CC[C@@H]2CCOC2)C1 1181935701 OMNZQCOKEATUKB-CHWSQXEVSA-N 308.382 -0.367 30 20 DBED COCC#CCNC[C@H]1CCN(C(=O)CNC(N)=O)C[C@H]1C 1183822019 HMATYZFTIFKMCI-CHWSQXEVSA-N 310.398 -0.621 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)COC(C)C)[C@@H]2C1 1187124772 LKJFSODSSJDICL-UONOGXRCSA-N 307.394 -0.307 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)CNC(=O)C(C)(C)C)C1 1187781098 ZLWDAVHPNQELBT-CYBMUJFWSA-N 309.410 -0.011 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@H]1CCN(C(=O)Cc2ccon2)C1 1189489287 IBPXNJBSFBKRDG-JSGCOSHPSA-N 318.377 -0.112 30 20 DBED CN(CC(=O)NCC#N)[C@H]1CCN(C(=O)C[C@](C)(O)C2CC2)C1 1189696288 YNAKTGFKBCEBRA-BBRMVZONSA-N 322.409 -0.290 30 20 DBED C=CCC[C@H](C)N1C[C@@H](O)[C@H](NC(=O)C2CN(C(C)=O)C2)C1 1192444719 OBLIPSNHXBJZPA-NILFDRSVSA-N 309.410 -0.019 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN([C@@H](C)c2cnccn2)C[C@H]1O 1192885909 HCADGSCYXSUESE-NWANDNLSSA-N 318.377 -0.261 30 20 DBED CCO[C@H](C(=O)N[C@@H]1CN(CC#CCOC)C[C@H]1O)C1CC1 1193056765 JKHALRXCRFKBIA-KFWWJZLASA-N 310.394 -0.387 30 20 DBED CCn1cc(C(=O)N2CC[C@@H](N(C)CC(=O)NCC#N)C2)nn1 1193124377 VFGILUHOCCVBLE-LLVKDONJSA-N 319.369 -0.916 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)CC(C)(C)CC)C1 1193247714 MQSODEICRKQOMN-CHWSQXEVSA-N 309.410 -0.277 30 20 DBED N#CCNC(=O)CNC1CCN(C(=O)C[C@@H]2COC(=O)C2)CC1 1200070460 HAFGQUIEEREOCX-NSHDSACASA-N 322.365 -0.840 30 20 DBED CC(C)c1nnnn1CC(=O)N1CCCO[C@@H](CNCC#N)C1 1201592474 HSKYXWJVXQTTCJ-LBPRGKRZSA-N 321.385 -0.473 30 20 DBED C#CCNC[C@@H]1CN(C(=O)[C@@H]2CCc3nncn3C2)CCCO1 1202124174 HHGDJJSDPMPJKJ-ZIAGYGMSSA-N 317.393 -0.319 30 20 DBED Cn1cc(C(=O)N2CCCO[C@@H](CNCC#N)C2)n(C)c1=O 1202172199 ALUZXUIZHHMMOQ-NSHDSACASA-N 307.354 -0.932 30 20 DBED C=CCNC(=O)CN[C@H]1C[C@@H](NC(=O)CNC(C)=O)C12CCC2 1202344113 YIOVPYKHUZYSRF-QWHCGFSZSA-N 322.409 -0.558 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2cnn(C)c2C)[C@H](C)C1 1205977935 HMAQJJNBSRXTHA-BXUZGUMPSA-N 317.393 -0.472 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(Cc2csnn2)C[C@H]1C 1206887229 BWBQVZHBECIQTR-ZYHUDNBSSA-N 321.406 -0.386 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(Cc2nncs2)C[C@H]1C 1206891762 HSHUUHRNBGACCH-GHMZBOCLSA-N 321.406 -0.386 30 20 DBED Cc1cc(C(=O)N2CCC[C@H](NCC(=O)NCC#N)C2)nn1C 1207546204 NFAHAQIBSKWBSG-LBPRGKRZSA-N 318.381 -0.438 30 20 DBED C=CCOCC(=O)N1CCC[C@H](N[C@@H]2CCC(=O)NC2=O)C1 1207684480 OUISBZXFDCUUOC-NWDGAFQWSA-N 309.366 -0.425 30 20 DBED COCC#CCN[C@H]1CCCN(C(=O)c2ccc(C(N)=O)[nH]2)C1 1209668487 CHOJEIJKVFCKDO-LBPRGKRZSA-N 318.377 -0.042 30 20 DBED C=CCOCCCC(=O)N[C@@H]1CN([C@@H](C)C(N)=O)C[C@H]1OC 1212085324 OUVFNGFICADSDX-YNEHKIRRSA-N 313.398 -0.342 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)/C(C)=C/C)[C@H](OC)C1 1212106709 FIIQODHPCKMRKP-YADFJFBMSA-N 307.394 -0.094 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2ccsn2)[C@H](OC)C1 1212446212 LDVUXFPANDAEPR-VXGBXAGGSA-N 322.390 -0.679 30 20 DBED C=C[C@](C)(CCOC)C(=O)N[C@@H]1CN(CC(N)=O)C[C@H]1OC 1213221579 JAYGWMOHJYAFJP-LALPHHSUSA-N 313.398 -0.484 30 20 DBED COCC#CCN1C[C@@H](NC(=O)[C@]2(F)CCOC2)[C@H](OC)C1 1213327756 RKZQNHLBNKCKBN-NFAWXSAZSA-N 314.357 -0.420 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](NCc2ccnn2C)[C@H](C)C1 1214471804 DHNWGNBCLWAYFR-TZMCWYRMSA-N 317.393 -0.504 30 20 DBED C=CCO[C@@H](C)C(=O)N1C[C@@H](NCC(=O)NC(N)=O)[C@H](C)C1 1216931088 WKUMUNANGXPHGD-OUAUKWLOSA-N 312.370 -0.791 30 20 DBED C#CCCCC(=O)N1CCO[C@@H]2CN([C@H]3CCN(C)C3=O)C[C@@H]21 1217762135 AJEITYBDRPYCHE-SOUVJXGZSA-N 319.405 -0.068 30 20 DBED N#CCSCC(=O)N[C@@H]1CN(C[C@@H]2CCCCO2)C[C@@H]1O 1219217973 GIXXHSSCPRRGOU-XQQFMLRXSA-N 313.423 -0.026 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CN(CC(=O)NCC2CCC2)C[C@@H]1O 1219379073 MVBSSICQGAFKCS-UHTWSYAYSA-N 308.382 -0.776 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3cnccn3)[C@@H]2C1 1221230779 IFVCHWORZPMEEA-TZMCWYRMSA-N 313.361 -0.628 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)c2n[nH]c(C)c2O)CC1 1226885670 ZJTPLATUFJGREY-UHFFFAOYSA-N 321.381 -0.080 30 20 DBED CC(C)C#CC(=O)N(C)C[C@H]1CCN1[C@@H]1CCC(=O)NC1=O 1234160557 IFUGUVMVVXVQBC-CHWSQXEVSA-N 305.378 -0.016 30 20 DBED C[C@H](N)C[C@@H](C)NC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1262033722 IBWMRBKDAMWGJP-DMDPSCGWSA-N 307.398 -0.573 30 20 DBED CC1(C)OC[C@@H](CNC(=O)C(=O)NC2CCN(CC#N)CC2)O1 1322823701 NQFYWRILCSTKIC-GFCCVEGCSA-N 324.381 -0.642 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)NCc1nccs1 1325735478 AZLBKNWOBRQABG-UHFFFAOYSA-N 317.392 -0.524 30 20 DBED CC#CC[C@@H](CO)NC(=O)NC[C@@H]1CCCS(=O)(=O)C1 1325992019 YYSLDDMBHMWNRJ-RYUDHWBXSA-N 302.396 -0.115 30 20 DBED CC#CC[C@H](CO)NS(=O)(=O)C[C@@H]1CCCS(=O)(=O)C1 1326325756 NJTYONDNXLVBCN-VXGBXAGGSA-N 323.436 -0.495 30 20 DBED N#Cc1cc(NC(=O)C(=O)N2CCC(O)(CO)CC2)ccc1F 1327293667 ALHWAIWEGUFXEL-UHFFFAOYSA-N 321.308 -0.018 30 20 DBED C#CCOCCNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 1329999970 DROFWHBSJWTRBI-KBPBESRZSA-N 307.394 -0.115 30 20 DBED CN(Cc1cn(C)nn1)C(=O)C(=O)NCC#Cc1ccccc1 1330836798 LSBCCFFDCGSHHW-UHFFFAOYSA-N 311.345 -0.059 30 20 DBED C=CCN1CCC(NC(=O)C(=O)N(CC)CCC(=O)NC)CC1 1332687010 XHJPCJHBYUANFS-UHFFFAOYSA-N 324.425 -0.262 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)c2cc(N)ccn2)CC1 1345895102 RBCILVYGPPKNSL-UHFFFAOYSA-N 315.377 -0.439 30 20 DBED Cc1cc(NC(=O)C(=O)NC[C@@](C)(O)CN(C)C)ncc1C#N 1346457059 FJRFEOGCCJBPSU-OAHLLOKOSA-N 319.365 -0.371 30 20 DBED C#CCO[C@H](C)C(=O)OCCc1c(C)nc2nc[nH]n2c1=O 1358442720 ZJPKQADPSDTMDA-SNVBAGLBSA-N 304.306 -0.150 30 20 DBED CC[C@@H]1COCCN1CCNc1[nH]c(=O)n(C)c(=O)c1C#N 1363160181 XGNCTHOSLKETNW-SNVBAGLBSA-N 307.354 -0.532 30 20 DBED N#Cc1cn(CCNC(=O)C[C@@H]2CCCOC2)c(=O)nc1O 1363482238 IXCMMCIQYKEHOH-JTQLQIEISA-N 306.322 -0.247 30 20 DBED CCS(=O)(=O)NCCS(=O)(=O)N1CCC[C@H](C#N)C1 1364029276 CTOSLPFUMMUELI-SNVBAGLBSA-N 309.413 -0.509 30 20 DBED CN(CCNC(=O)NCCn1cc(C#N)c(O)nc1=O)C1CC1 1365558017 NMKGFHUHAPPYRI-UHFFFAOYSA-N 320.353 -0.786 30 20 DBED N#Cc1ccc(CN2CCN(C(=O)Cn3ncnn3)CC2)s1 1365694790 POWMSGLKUMLWIW-UHFFFAOYSA-N 317.378 -0.049 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)NCc2ccc3nonc3c2)CCO1 1365746810 SBJPNNHBOXZXMO-SNVBAGLBSA-N 323.334 -0.218 30 20 DBED C=C(Cl)CNC[C@@H](O)CN(C)C(=O)[C@H]1CCC(=O)N1C 1369470615 OETPILVMJYNZCQ-GHMZBOCLSA-N 303.790 -0.231 30 20 DBED C[C@H](NC(N)=O)C(=O)NC1CN(Cc2ccccc2C#N)C1 1377881206 SWEVHFLLXYLOTR-JTQLQIEISA-N 301.350 -0.085 30 20 DBED CCCS(=O)(=O)CC(=O)N(C)CCN(C)C(=O)[C@@H](C)C#N 1388996521 IQKFOXKDRSWYKE-NSHDSACASA-N 317.411 -0.112 30 20 DBED CO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1NC(=O)COCC1CC1 1396410078 LHZAIUWMQMFZCT-RAIGVLPGSA-N 309.366 -0.085 30 20 DBED C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)CS(=O)(=O)NC)C1 1410846578 IQYBSIGBNQFBSB-VHSXEESVSA-N 309.819 -0.133 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@@H](CNC(=O)c2cnc(O)n2C)C1 1414208904 FKPDHLDMDIVXRW-BBBLOLIVSA-N 305.338 -0.090 30 20 DBED C[C@H](C#N)C(=O)NCCN(C)C(=O)[C@@H]1CCCN(C(N)=O)C1 1415598549 NQZKQLXNLSQJLE-GHMZBOCLSA-N 309.370 -0.489 30 20 DBED COc1ncc(NC(=O)CNC(=O)CNC(C)=O)cc1C#N 1419380135 BCNLSANRTMKCTG-UHFFFAOYSA-N 305.294 -0.847 30 20 DBED C=C(Cl)CNC[C@@H](O)CNC(=O)CCN1CCCC1=O 1422404655 FUSPLPXADXNHGR-LLVKDONJSA-N 303.790 -0.182 30 20 DBED Cc1c(C(=O)NCCN(C)C(=O)c2c[nH]c(C#N)c2)nnn1C 1429200034 IJKNXRAPBBTOHJ-UHFFFAOYSA-N 315.337 -0.175 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C[C@H](O)CC(F)(F)F)C1 1446827648 HKVNRZUCABORQA-RKDXNWHRSA-N 309.288 -0.378 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CCN(C(=O)c2ccc(=O)n(C)n2)C1 1448351735 KODVNWLDADQIRF-WDEREUQCSA-N 317.349 -0.482 30 20 DBED CN(CCNC(=O)C1=COCCO1)C(=O)c1ccc(C#N)[nH]1 1448697337 XGHUTMOFOJZLDP-UHFFFAOYSA-N 304.306 -0.037 30 20 DBED C[C@@H](C#N)C(=O)NC1CN([C@@H]2CCN(c3cnn(C)c3)C2=O)C1 1481549647 FPYGTTBKUCTOBZ-GXFFZTMASA-N 316.365 -0.515 30 20 DBED C=CCCN[C@H]1CCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)C1 1491755825 UAQXRHWNDKSNQV-JTQLQIEISA-N 308.338 -0.826 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(CC)[C@H]2CCCNC2)C1=O 1524267768 RJMFKRYIDWFFSN-NSHDSACASA-N 322.365 -0.436 30 20 DBED CC(=O)N(C)CC(=O)NCC1(NC(=O)c2cc(C#N)c[nH]2)CC1 1535130666 STXGKBWVGVLXDM-UHFFFAOYSA-N 317.349 -0.257 30 20 DBED Cn1nnc2c1CC[C@H](Nc1cnc(-c3nn[nH]n3)c(C#N)n1)C2 1570932392 SYUHESSFEXRPGV-ZETCQYMHSA-N 323.324 -0.374 30 20 DBED CC(C)N1CC[C@@H](Nc2cnc(C#N)c(-c3nn[nH]n3)n2)C1=O 1574284837 VZQRMWUGMWNFDG-MRVPVSSYSA-N 313.325 -0.050 30 20 DBED N#C[C@@H]1CNCC12CC(C(=O)NCc1nnc3n1CCC3)C2 1580044008 VNQJHBYADMFAQH-LOIXOFCESA-N 300.366 -0.020 30 20 DBED C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O 1588913934 LWDWPGVJKJIKEI-MMWGEVLESA-N 313.354 -0.003 30 20 DBED Cc1cc(NC(=O)NCC(=O)NCC#N)cc(-c2nn[nH]n2)c1 1592025365 NZEXSFIFEWZZQN-UHFFFAOYSA-N 314.309 -0.064 30 20 DBED COC[C@@](C)(CC(=O)O)NS(=O)(=O)N(C)C[C@@H](C)C#N 1599150521 QIXZDCHMRYNELQ-GXSJLCMTSA-N 307.372 -0.208 30 20 DBED CSc1nc(O)c(C(=O)NCC[C@H](O)C(=O)O)cc1C#N 1599805499 YSCGSODMJJMIQR-QMMMGPOBSA-N 311.319 -0.054 30 20 DBED N#CC1(CC(=O)N2CCS(=O)(=O)C[C@@H]2CC(=O)O)CC1 1601055267 VNARFSNWJBTJEV-VIFPVBQESA-N 300.336 -0.219 30 20 DBED C[C@H](NC(=O)[C@H](C)NS(=O)(=O)N(C)[C@H](C)CC#N)C(=O)O 1604060821 ONSLQIPKQZJSLQ-VGMNWLOBSA-N 320.371 -0.967 30 20 DBED Cn1c(C#N)ccc1C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)O 1605467126 BYNNCBNGVSBIRQ-JTQLQIEISA-N 311.319 -0.779 30 20 DBED COCC(=O)NC1CCN(CCC(=O)N(C)CCC#N)CC1 1645649449 NOABMQMFIBGSBW-UHFFFAOYSA-N 310.398 -0.024 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N1CCC(NC(N)=O)CC1 1649789923 QFHOAZPRKHYPJY-SECBINFHSA-N 303.388 -0.402 30 20 DBED C#CCN[C@@H](CNC(=O)[C@H]1CCc2nnnn2CC1)C1CC1 1752484233 GQFAUJBCLCAPML-STQMWFEESA-N 302.382 -0.257 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1C[C@H](NC(=O)c2cnc(O)n2C)C1 1752651717 SJLNQIRBRORKSX-GMTAPVOTSA-N 319.365 -0.886 30 20 DBED C#CCNC(=O)CN1CCC[C@@H](CNC(=O)c2cnns2)C1 1752779974 YFXNDGBPDILZPP-NSHDSACASA-N 321.406 -0.271 30 20 DBED C=CCNC(=O)CN1CC[C@@H](CNC(=O)CCn2ccnn2)C1 1753121351 AAQKANJFQJSMIW-ZDUSSCGKSA-N 320.397 -0.592 30 20 DBED COCC#CCN1[C@H]2CC[C@H]1CN(C(=O)Cc1n[nH]c(C)n1)C2 1753305112 KJEDALAUCRZNMR-KBPBESRZSA-N 317.393 -0.019 30 20 DBED C=CCOCC(=O)NC1CN(CC(=O)NC[C@H]2CCOC2)C1 1753373195 NQUNESCVODSJMG-GFCCVEGCSA-N 311.382 -0.858 30 20 DBED Cc1nnc([C@@H](C)NC[C@H](O)CNC(=O)CSCC#N)o1 1753905099 DABHUHIOXYCPJK-SCZZXKLOSA-N 313.383 -0.238 30 20 DBED C=C(C)CN1CC[C@H]1CNC(=O)CNS(=O)(=O)N(C)C 1754495146 GGWBAUVSNGCIAP-NSHDSACASA-N 304.416 -0.851 30 20 DBED CC#CCN1CCC(C)(NC(=O)CN2CCN(C)C(=O)C2)CC1 1754626825 ALAKVYOGYCKISY-UHFFFAOYSA-N 320.437 -0.246 30 20 DBED C=C(C)CN1CC(O)(CNC(=O)c2ccn3nnnc3c2)C1 1754771928 QYBMQHLPCWUKEJ-UHFFFAOYSA-N 302.338 -0.523 30 20 DBED C#CCNC(=O)CN[C@H]1CN(C(=O)c2ncccn2)C[C@H]1C 1755118894 UDMWUOAHAGDNPT-NEPJUHHUSA-N 301.350 -0.724 30 20 DBED CC#CCN(C)[C@H](C)CNC(=O)CCc1nnc(O)nc1O 1755306604 OFGTVOSHTNXLSC-SNVBAGLBSA-N 307.354 -0.325 30 20 DBED C#CCN1C[C@H](NC(=O)CCS(=O)(=O)N(C)C)C(C)(C)C1 1755414828 BQBHPEPTPTWJMW-LBPRGKRZSA-N 315.439 -0.272 30 20 DBED C=CCNC[C@@H]1CC2(CCN(C(=O)c3nnn(C)n3)CC2)CO1 1755463075 FXBRNCIXDNFJHU-LBPRGKRZSA-N 320.397 -0.003 30 20 DBED C=CCNC(=O)CN[C@@H](C)CN(C)C(=O)c1nnn(C)c1C 1755583255 WKNHGMXJOTWOPY-JTQLQIEISA-N 308.386 -0.524 30 20 DBED C#CCN(C)C[C@@H](O)CN(C)C(=O)c1cnn(CCOC)c1C 1755800490 IOGFQZFJSZJBAZ-CQSZACIVSA-N 322.409 -0.164 30 20 DBED COCC#CCN1CC=C(CNC(=O)[C@H]2CC[C@H]2C(N)=O)CC1 1755890746 KPBUHRALJPXMHK-CABCVRRESA-N 319.405 -0.104 30 20 DBED C[C@H](CNC(=O)C#CC(C)(C)C)N(C)C(=O)c1nnn(C)n1 1756025331 JTANZHKEYKSXHQ-SNVBAGLBSA-N 306.370 -0.164 30 20 DBED C=CCCOCC(=O)N[C@H](C)C1CN(C(=O)Cn2ncnn2)C1 1756147031 HSUSXYCVIBYTDG-LLVKDONJSA-N 322.369 -0.771 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H](CO)CNC(=O)c1cnc(C)n1C 1756543334 OBXBCUYCCNUOKG-ABAIWWIYSA-N 324.381 -0.737 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H](O)[C@H](NC(=O)CC2(C)CC2)C1 1757192696 DYZJIGVNBNUWEL-NEPJUHHUSA-N 321.377 -0.996 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(CO)on1)CCO2 1783052549 APVRGSPYVOIQKD-HNNXBMFYSA-N 319.317 -0.756 30 20 DBED N#CC1(C(=O)N2CC[C@@]3(CN(C(=O)CN)CCO3)C2)CCC1 1785365626 JXNYXKTXRVZNSP-OAHLLOKOSA-N 306.366 -0.531 30 20 DBED CC[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)S 1800981562 NTTOHVUBYBPCFN-SVNGYHJRSA-N 316.423 -0.335 30 20 DBED C#CC(=O)N1CC2(CCCN2C(=O)[C@H](C)NC(=O)NCC)C1 1844231259 HMFIOAUIMZAPGT-NSHDSACASA-N 306.366 -0.469 30 20 DBED C#CC(=O)N1CC2(CCCN2C(=O)[C@H]2CCCS2(=O)=O)C1 1845914736 HWDLYUVDHOHQJB-LLVKDONJSA-N 310.375 -0.600 30 20 DBED CCN(C[C@@H](C)C#N)C(=O)CN(CC(=O)OC)CC(=O)OC 67380383 QJJIJSDRZSWFMB-NSHDSACASA-N 313.354 -0.357 30 20 DBED COCC(=O)N1CCN([C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 115536026 NGVWPQSLFFHBRU-OAHLLOKOSA-N 316.361 -0.125 30 20 DBED N#C[C@@H]1COCCN1C(=O)C1=CC=CN2CCS(=O)(=O)N=C12 266223187 RWNDGBPRDHNLBN-SNVBAGLBSA-N 322.346 -0.765 30 20 DBED N#CCCCS(=O)(=O)NCCN1C[C@H](C(=O)O)CC1=O 275054766 XUOXDQUSTAIFIF-SECBINFHSA-N 303.340 -0.857 30 20 DBED C=C[C@H](CO)NC(=O)NCC(=O)N(C)CCc1ccccn1 290858441 BEXUZGMYSJOQAV-GFCCVEGCSA-N 306.366 -0.071 30 20 DBED C[C@@H](CN1CCOCC1)/N=C(/O)N1CCN(C2CC2)C(=O)C1 328650508 BATMOHYMYIOFFP-LBPRGKRZSA-N 310.398 -0.072 30 20 DBED O/C(=N/C[C@@H]1COCCO1)N1CCO[C@H](Cn2cccn2)C1 329447501 MEYNKYPAQWMDKI-OLZOCXBDSA-N 310.354 -0.087 30 20 DBED C[C@H](CN1CCOCC1)/N=C(/O)N1C[C@@H]2OCCN(C)[C@H]2C1 329984379 QHCTTWBUTADSSF-RDBSUJKOSA-N 312.414 -0.364 30 20 DBED CC[C@@H](CO)/N=C(/O)NC1CCN(CC(=O)N(C)C)CC1 331218666 HWHNDPQLSYAEAY-NSHDSACASA-N 300.403 -0.187 30 20 DBED CC[C@H]1CN(C(=O)Cn2cnc(C#N)n2)C[C@H]1N1CCOCC1 332199978 RKMMQNXEUYDULM-QWHCGFSZSA-N 318.381 -0.281 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N[C@H](CO)CC(F)(F)F)CCO1 336932653 CRYXKCOVTKRTEF-JGVFFNPUSA-N 317.289 -0.642 30 20 DBED N#CCSCC(=O)NCCS(=O)(=O)N1CCSCC1 337187193 UHPRONXGBFUQBK-UHFFFAOYSA-N 323.465 -0.262 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(CCCCO)C2CC2)C1=O 338252302 NXNMASHMMIJHQJ-UHFFFAOYSA-N 323.349 -0.273 30 20 DBED C=CCN1CC[C@@H](N(C)c2ccc(S(N)(=O)=O)cn2)C1=O 343044607 IFPIUTCNTVLVMS-LLVKDONJSA-N 310.379 -0.048 30 20 DBED CCS(=O)(=O)N(C)CC(=O)Nc1cc(C)n(CCC#N)n1 348886072 KONGKSGZEUGKSQ-UHFFFAOYSA-N 313.383 0.325 30 20 DBED N#Cc1cccc(CN2C(=O)CC[C@H]2C(=O)NCC(N)=O)c1 355334787 SVIOTGOMVKIKCL-LBPRGKRZSA-N 300.318 -0.349 30 20 DBED Cc1cc(C)n2nc(C(=O)NCCn3cnc(C#N)n3)nc2n1 356293929 MRJNDKPQIMLWHI-UHFFFAOYSA-N 311.309 -0.366 30 20 DBED C=CCN(CCOC)C(=O)CN(C)[C@@H]1CCS(=O)(=O)C1 362410007 IIEBDSFNAGHFDH-GFCCVEGCSA-N 304.412 -0.234 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H](OC)CC2)C1=O 378624659 NYQRVQHUQNLKHM-NSHDSACASA-N 323.349 -0.009 30 20 DBED CN(C(=O)N1CCN(CC#N)CC1)[C@H]1CCS(=O)(=O)C1 408018585 TZFFMATXWFJCDT-NSHDSACASA-N 300.384 -0.634 30 20 DBED C=C[C@@H](CO)NC(=O)CSc1nnnn1CC(F)(F)F 426857477 ICRNFZRWKPDTPI-LURJTMIESA-N 311.289 -0.009 30 20 DBED C=CCOC[C@@H](NC(=O)c1cnc2[nH]nnc2c1)C(=O)OC 435932038 ARKVIHGPNBSYLH-SNVBAGLBSA-N 305.294 -0.173 30 20 DBED CC(=O)N[C@H](C)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 471674442 SEFGYSKNOOKZTB-LLVKDONJSA-N 318.381 -0.227 30 20 DBED N#Cc1ccc(S(=O)(=O)NCC(=O)NC2(CO)CCC2)cc1 592782193 DIYVQAYYPYAQQX-UHFFFAOYSA-N 323.374 -0.132 30 20 DBED Cn1c(NCC[C@@]2(O)CCCOC2)c(C#N)c(=O)n(C)c1=O 593520511 ZQDKKHSYEHHIAO-AWEZNQCLSA-N 308.338 -0.701 30 20 DBED C[C@@H](C#N)CN(C)C(=O)C(=O)N1CCN([C@H]2CCOC2)CC1 595206098 QWFBPWIBBXHXIY-STQMWFEESA-N 308.382 -0.462 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@H](N(C)C)[C@H]2C)C1=O 615308343 MGDRMRMWXNADBP-GHMZBOCLSA-N 322.365 -0.486 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@]2(C(=O)O)CC2(C)C)CC1 663112295 GTEOUCGJVBDVIO-INIZCTEOSA-N 323.393 -0.066 30 20 DBED C=CCN1CCC(NC(=O)CS(=O)(=O)CCOC)CC1 729977546 UZSPEYUCADHNKO-UHFFFAOYSA-N 304.412 -0.186 30 20 DBED Cn1c(N[C@@H]2CCCN(C(=O)O)C2)c(C#N)c(=O)n(C)c1=O 739013973 KHIUQLDUEFQIQB-MRVPVSSYSA-N 307.310 -0.490 30 20 DBED N#Cc1ccc(CNC(=O)CN2C[C@H](O)C[C@H]2C(=O)O)cc1 739118274 QJHFPTYOHVKARJ-OLZOCXBDSA-N 303.318 -0.306 30 20 DBED N#Cc1cccnc1NCCNC(=O)NC[C@]1(O)CCOC1 755066900 XDALJDUXRJOWLG-CQSZACIVSA-N 305.338 -0.184 30 20 DBED C=CCS(=O)(=O)CCNC(=O)[C@@H]1CCCN1S(C)(=O)=O 783541208 CISSZTJJHNRRFB-JTQLQIEISA-N 324.424 -0.873 30 20 DBED C#C[C@H](NC(=O)N1CCC[C@@H](S(N)(=O)=O)C1)[C@@H]1CCCO1 799974669 DMYFNXYXMUIHFV-WOPDTQHZSA-N 315.395 -0.370 30 20 DBED C#C[C@H](NC(=O)C(=O)NCCn1ccnc1C)[C@H]1CCCO1 804030133 DIEAXOVVUQJGAI-QWHCGFSZSA-N 304.350 -0.395 30 20 DBED C#C[C@@H](NC(=O)C(=O)N1CCCN(C(C)=O)CC1)[C@H]1CCCO1 809307324 CJDASTWVZNIVTD-ZIAGYGMSSA-N 321.377 -0.636 30 20 DBED CN(C(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C1(CO)CC1 819788311 TXNQGBMIGIJIRH-UHFFFAOYSA-N 323.374 -0.292 30 20 DBED Cc1cc(NC(=O)CSCC(=O)N[C@H]2CNC[C@@H]2C#N)no1 834506837 WKSXQPRIGRJVJY-UWVGGRQHSA-N 323.378 -0.118 30 20 DBED C#C[C@@H](NC(=O)c1cc(S(N)(=O)=O)cnc1C)[C@@H]1CCCO1 847758831 ORNBLOXJZXPBKA-OLZOCXBDSA-N 323.374 -0.052 30 20 DBED CCN(C[C@H](C)C#N)C(=O)COC(=O)C1(n2cnnn2)CC1 849996075 TVYCBINVIWRZNC-SNVBAGLBSA-N 306.326 -0.286 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CCN(C)[C@@H]2CC)CC1 865156671 MPPKSNMZWUBOPS-LSDHHAIUSA-N 320.437 -0.390 30 20 DBED C#CCSCC(=O)N1CCC[C@H](CNS(N)(=O)=O)C1 900223796 ZBKAGBTZRXHFLE-SNVBAGLBSA-N 305.425 -0.616 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@H](C)c2cnccn2)CC1 906554519 DGGLWCZUHMSLRP-CYBMUJFWSA-N 315.377 -0.526 30 20 DBED CN(C)CC#CCNC(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 913515159 LFEOGBALYNOVOS-JURCDPSOSA-N 315.373 -0.525 30 20 DBED O=C(NCC#CCO)NC1CCN(S(=O)(=O)C2CC2)CC1 923776863 LUCOSUDORNDAQM-UHFFFAOYSA-N 315.395 -0.762 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N[C@H]1COCCC1(OC)OC 931666137 DSUFCQBIDGAIKQ-QWRGUYRKSA-N 315.370 -0.246 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)Cn3nccn3)C2)nc1 938015921 YWJXRRFASXIFOQ-ZDUSSCGKSA-N 324.344 -0.315 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](N(C)C(=O)c2cnn(C)c2N)C1 939394991 BJYVPOPABXQUOO-VHSXEESVSA-N 304.354 -0.165 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](NC(=O)c2cccn3nnnc23)C1 940647409 JSYIRHRRCLOUFB-VHSXEESVSA-N 313.321 -0.385 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](NC(=O)c2cn(C)c(=O)n2C)C1 941115728 ZZQXIBJBUITOPW-VHSXEESVSA-N 305.338 -0.786 30 20 DBED CCN1CCOC[C@@H]1C(=O)N1CCCN(C(=O)[C@H](C)C#N)CC1 941526094 AELXPODIBBKWHC-ZIAGYGMSSA-N 322.409 -0.072 30 20 DBED O=C(NC[C@H]1CCCN1C(=O)C#CC1CC1)c1c[nH]c(=O)cn1 944007409 IYMMIMZUWLWEOD-GFCCVEGCSA-N 314.345 -0.096 30 20 DBED C[C@@H]1CN(C(=O)C(N)=O)CC[C@@H]1NC(=O)c1c[nH]c(C#N)c1 945485156 QZUGNGDVRYFMJW-KCJUWKMLSA-N 303.322 -0.662 30 20 DBED CCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2OC)nn1 946527822 YOZVXSOBYLEOCU-CKYFFXLPSA-N 320.353 -0.587 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2[C@H]3C[C@H]2N(C(=O)CC(N)=O)C3)[nH]1 946943928 NLCCWBNVTFMALF-NYNLCMDTSA-N 301.306 -0.909 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]1CNC(=O)c1cn2c(n1)COCC2 950805376 WOSZISWHXNPARS-WDEREUQCSA-N 317.349 -0.096 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@H]2CNC(=O)c2cnn(C)n2)cn1 951088968 DVLUZIDZVPKRDW-ZDUSSCGKSA-N 324.344 -0.164 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2ccnn2CCOC)C1 958170867 ATMMFIVUYZCOPA-OCCSQVGLSA-N 306.366 -0.815 30 20 DBED C=C(Cl)CN1C[C@H](CNC(=O)c2cn(C)c(O)n2)[C@@H](O)C1 958378190 HSCNTUIWMBDABX-ONGXEEELSA-N 314.773 -0.099 30 20 DBED N#CCN1C[C@@H](O)[C@H](CNC(=O)c2cnc3cccnn23)C1 958468124 SBCBDKKIGABBDM-ZYHUDNBSSA-N 300.322 -0.725 30 20 DBED N#CCN1C[C@H](O)[C@H](CNC(=O)c2cccc(NC(N)=O)c2)C1 958658015 SKMQCKIJBOGJJH-YPMHNXCESA-N 317.349 -0.277 30 20 DBED N#CCN1C[C@H]2C(NC(=O)C[C@@H]3CCCS(=O)(=O)C3)[C@@H]2C1 962229029 PDOUFJIBLXXBES-QJPTWQEYSA-N 311.407 -0.229 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CC3(F)F)C[C@@H]2O)[nH]1 962329883 SPLXQHORCAZCNE-GDPRMGEGSA-N 324.287 -0.157 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)C(N)=O)C[C@@H]2C)nc1 966758007 XANZYHCANTUQBO-JOYOIKCWSA-N 300.318 -0.875 30 20 DBED C[C@@H](C#N)C(=O)N1CC(N2CCN(C(=O)c3cnon3)CC2)C1 967245186 JHTLGEHAUGDZLU-JTQLQIEISA-N 318.337 -0.802 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C2CN(C(=O)[C@@H]3CCOC3)C2)CC1 967245261 SLKXSEBIKOPVQU-QWHCGFSZSA-N 320.393 -0.462 30 20 DBED C=CCCN1CC([C@H](C)NC(=O)C2CC3(C2)NC(=O)NC3=O)C1 970575517 TXJQXACPJODTDC-SGWRBKMISA-N 320.393 -0.013 30 20 DBED CN(CC#N)[C@H]1CCN(C(=O)Cn2nnc(-c3ccco3)n2)C1 971842933 DPVMBSUDQHAKHR-NSHDSACASA-N 315.337 -0.011 30 20 DBED N#CCN1CCO[C@@]2(CCN(C(=O)CO[C@H]3CCOC3)C2)C1 972378685 SWTDEABTTPPBLO-ZFWWWQNUSA-N 309.366 -0.381 30 20 DBED C=CCN(C)[C@@H]1CCN(C(=O)C2CC3(C2)NC(=O)NC3=O)C1 972532424 FDLBVETWAIJWAE-LOIXOFCESA-N 306.366 -0.307 30 20 DBED Cn1nnc(C(=O)N[C@H]2C[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)n1 973180634 HUPXQIDEXUCVPD-KYZUINATSA-N 314.309 -0.899 30 20 DBED CN1CCO[C@@H](C(=O)N(C)C[C@H]2CCN2C(=O)C#CC2CC2)C1 977530923 ZIANXXSHMSFXRG-HUUCEWRRSA-N 319.405 -0.210 30 20 DBED CN(C[C@H]1CCN1C(=O)C#CC1CC1)C(=O)C1CS(=O)(=O)C1 977757112 IIIGIQGCMGSEGA-CYBMUJFWSA-N 324.402 -0.496 30 20 DBED C[C@H]1C[C@@H](NCc2nnn(C)n2)CN1C(=O)c1ccc(C#N)[nH]1 988649350 BRDRGZDAPRFNJJ-GXSJLCMTSA-N 314.353 -0.197 30 20 DBED O=C(N[C@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1O)c1cnco1 991648492 WPHJCWDUCLLIJB-RYUDHWBXSA-N 303.318 -0.220 30 20 DBED N#CCN[C@@H]1CCC[C@@H]2CN(C(=O)C3CC(=O)NC(=O)C3)C[C@@H]21 992832177 KVHMBZJNZABMJI-KGYLQXTDSA-N 318.377 -0.221 30 20 DBED C=C(C)CN[C@H]1CN(C(=O)CN2CCNC(=O)C2)CC1(C)C 996131844 CPUZAANJJLAJTO-ZDUSSCGKSA-N 308.426 -0.179 30 20 DBED CC1(C)CC(=O)N(CC(=O)N2CCC(NCC#N)CC2)C1=O 996523169 IQEARLPKPIBYLN-UHFFFAOYSA-N 306.366 -0.124 30 20 DBED Cc1nc2n(n1)C[C@@H](C(=O)NC1CN(C(=O)[C@@H](C)C#N)C1)CC2 997634907 CHKIWYPBODZJKN-ONGXEEELSA-N 316.365 -0.364 30 20 DBED Cn1cc(C(=O)NC2CN(C(=O)c3cc(C#N)c[nH]3)C2)nc1O 999064995 XFYYZXVQQUEQDZ-UHFFFAOYSA-N 314.305 -0.420 30 20 DBED C#CCCN1CC=C(CNC(=O)c2nnc(O)nc2O)CC1 1000909022 NRSGJWXOPAFTQU-UHFFFAOYSA-N 303.322 -0.332 30 20 DBED C[C@H](C#N)C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cn1ncnn1 1002926555 JGXIWORWIRYVJD-DBIOUOCHSA-N 303.326 -0.919 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2C(NC(=O)c3cc[n+]([O-])cc3)[C@@H]2C1 1012725871 PQBJBTVVQVOOJX-YUSALJHKSA-N 300.318 -0.334 30 20 DBED C=CCN1CC[C@H](N2CC[C@H](NC(=O)Cn3nccn3)C2)C1=O 1014563157 CSVCPYPOJZZTAI-STQMWFEESA-N 318.381 -0.745 30 20 DBED C=CCn1cc(C(=O)N2CCC[C@@H](NC(=O)C(N)=O)[C@H]2C)nn1 1015194415 ONPSKLWSWOXNQZ-NXEZZACHSA-N 320.353 -0.941 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NC1CC(N(C)C(=O)C(N)=O)C1 1016952334 WOSOHHDCAHCHMQ-HCWSGVFWSA-N 309.366 -0.442 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CC(N)=O)[C@H]1C 1020136367 MDBVMZFEWPSGDZ-RNJOBUHISA-N 323.393 -0.051 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)CN2C(=O)CCC2=O)[C@@H]1C 1020538752 SHEKICLSWYJLRU-DCAQKATOSA-N 320.349 -0.599 30 20 DBED C=CCN1CC[C@@H](N[C@H]2C[C@H](NC(=O)Cc3cnc[nH]3)C2)C1=O 1020636652 CAJXVNDKZGTZPT-YRGRVCCFSA-N 317.393 -0.024 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]2CN(C(=O)CCc3nc[nH]n3)C[C@H]21 1022564130 GILRSSKNEVMXJX-GRYCIOLGSA-N 316.365 -0.044 30 20 DBED N#CCN[C@@H]1CC[C@@H]2CN(C(=O)CN3CCCNC3=O)C[C@H]21 1026303036 RHDYHTMNYQPVSU-JHJVBQTASA-N 305.382 -0.248 30 20 DBED C=CCn1cc(C(=O)N2C[C@@H]3CC[C@@H](NCC(N)=O)[C@H]3C2)nn1 1026371809 PZYXZDMLISPTTA-SDDRHHMPSA-N 318.381 -0.610 30 20 DBED CC#CCN1CC[C@@H](CNC(=O)[C@@H]2CN(C(C)=O)CCO2)C1 1028962777 BNYQNOJTTMVWHO-GJZGRUSLSA-N 307.394 -0.305 30 20 DBED N#Cc1ccc(CN2CC(NC(=O)Cn3ncnn3)C2)cc1F 1030316041 UWWSTWNUAXXSPK-UHFFFAOYSA-N 315.312 -0.316 30 20 DBED CC#CCN1CC(CNC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1 1031973153 YRAPTIAYHZYLRC-KGLIPLIRSA-N 307.394 -0.307 30 20 DBED C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1Cc2cncn2C(=O)N1 1032535968 FIHFYYVEMKEXEJ-IHRRRGAJSA-N 313.361 -0.326 30 20 DBED C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3Cc2nnn(C)n2)cn1 1032738164 ROYZEQUDHXSFIY-KBPBESRZSA-N 323.360 -0.315 30 20 DBED C=C(Cl)CN1C[C@@H]2C[C@H]1CN2C(=O)Cn1c(O)nnc1O 1032754680 LZTHCZGKHVITTG-IUCAKERBSA-N 313.745 -0.273 30 20 DBED CC#CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CN(C(C)=O)CCO1 1032760802 RLRKZBPPOUYKBK-SOUVJXGZSA-N 305.378 -0.458 30 20 DBED C#CCCN1CC[C@H](N(C)C(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 1033285825 MOBUANBHLVPXLO-JSGCOSHPSA-N 315.377 -0.079 30 20 DBED C#CCN1CCO[C@H](CNC(=O)c2cc(=O)c(OC)co2)C1 1035444006 GPBKMHKPUVLSGQ-LLVKDONJSA-N 306.318 -0.288 30 20 DBED C#CCN[C@@H]1CCN(C(=O)c2cn(CCOC)nn2)C[C@H]1C 1036024655 XQQBCRXTPLMMCO-CHWSQXEVSA-N 305.382 -0.002 30 20 DBED C=C(C)CCC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2CNC(=O)N2)C1 1039986356 BHMRTEHXUKWAMI-NHYWBVRUSA-N 324.381 -0.896 30 20 DBED CNC(=O)CCCC(=O)N1CC[C@](O)(CNC(=O)[C@H](C)C#N)C1 1040760095 FNNHEIOGTIVDIR-ABAIWWIYSA-N 324.381 -0.858 30 20 DBED C=CCCC(=O)N1CC[C@](O)(CNC(=O)c2cn(CC)nn2)C1 1040773334 WQAIJDRQPLEAAN-HNNXBMFYSA-N 321.381 -0.043 30 20 DBED C=CCOCC(=O)N1CC[C@](O)(CNC(=O)Cc2cnc[nH]2)C1 1041036068 OXSORTGKJVGIFF-HNNXBMFYSA-N 322.365 -0.766 30 20 DBED Cc1cc(CC(=O)NCC2(O)CN(C(=O)C#CC(C)C)C2)n[nH]1 1042481771 SWBSMIGHEYAEAW-UHFFFAOYSA-N 318.377 -0.390 30 20 DBED CCn1ccnc1C(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042958316 JKCTZWLPMOZHLT-UHFFFAOYSA-N 316.361 -0.381 30 20 DBED C=CCn1cc(C(=O)NCC2(O)CN(C(=O)C(F)F)C2)nn1 1043106518 RQQHGPSZBNZTQO-UHFFFAOYSA-N 315.280 -0.968 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CN(c3nccnc3C#N)C[C@@H]2O)[nH]1 1043892512 ZBXZGWZOVRBDIS-OLZOCXBDSA-N 323.316 -0.472 30 20 DBED C=CCCn1cc(C(=O)N(C)C2CN([C@@H](C)C(=O)NC)C2)nn1 1044027034 VROSUYIBXQTMKS-NSHDSACASA-N 320.397 -0.255 30 20 DBED C=CCN1CC[C@H](NC[C@@H]2CCCN2C(=O)CC(N)=O)C1=O 1044967294 KSXQEVSKZXVJBJ-RYUDHWBXSA-N 308.382 -0.771 30 20 DBED C=CCCCC(=O)N1CC(O)(CNC(=O)C2(C(N)=O)CC2)C1 1045490478 PRNQKESYRGTYNO-UHFFFAOYSA-N 309.366 -0.702 30 20 DBED CCn1cc(C(=O)N2CC(O)(CNC(=O)[C@@H](C)C#N)C2)c(C)n1 1045554226 ALIRPWIMPCIWDY-JTQLQIEISA-N 319.365 -0.326 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)Cc2cscn2)C1 1045554774 JBWGZBUYCPAJGV-SECBINFHSA-N 308.363 -0.465 30 20 DBED C#CCN1CC[C@H](N2CCN(C(=O)CC3OCCCO3)CC2)C1 1046021655 CNZBSNCAQDDFAM-HNNXBMFYSA-N 321.421 -0.009 30 20 DBED C=CCN1CC[C@@H](N2CCN(C(=O)[C@H]3CCC(=O)NC3)CC2)C1 1046043034 RTZMZLCGFRHLFZ-LSDHHAIUSA-N 320.437 -0.083 30 20 DBED C=C(C)CN1C[C@H]2C[C@H](NC(=O)CN3CCNC(=O)C3)C[C@H]1C2 1047122763 NLPPTYPRZDNKSO-SOUVJXGZSA-N 320.437 -0.037 30 20 DBED C=C(C)CN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCNC(=O)CC2)C1 1047470659 TYSSAOLXAGFMSE-IHRRRGAJSA-N 309.410 -0.018 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)[C@H]1CCn2ccnc2C1 1050989491 QMLPWMMWFCCRSP-KBPBESRZSA-N 302.378 -0.104 30 20 DBED C=C(C)CN1CCOC[C@@H]1CNC(=O)[C@H]1CCS(=O)(=O)C1 1051011460 JXXGNECRXBQCHY-STQMWFEESA-N 316.423 -0.186 30 20 DBED C=CCOCC(=O)N[C@H](C)[C@@H]1CCN(C(=O)c2nnn(C)n2)C1 1051342395 RKURDXMVWODOOJ-GHMZBOCLSA-N 322.369 -0.621 30 20 DBED N#CCN1CCN([C@@H]2CCN(C(=O)Cc3cc[nH]n3)C2)CC1 1052002714 KHGSQNYZXYQSPK-CQSZACIVSA-N 302.382 -0.306 30 20 DBED CC#CCN1CCN([C@@H]2CCN(C(=O)Cn3nccn3)C2)CC1 1052032310 FLGYLAKXPBXYKE-OAHLLOKOSA-N 316.409 -0.480 30 20 DBED C[C@]12CN(C(=O)C(N)=O)C[C@H]1CN(c1ccnc(C#N)n1)C2 1052546436 QUPXQXUUEPWSAG-OTYXRUKQSA-N 300.322 -0.882 30 20 DBED C#CCN1CC2(CC[C@@H](CNC(=O)c3c[nH]c(C(N)=O)c3)O2)C1 1053698736 UASDQPPWANQEBX-LBPRGKRZSA-N 316.361 -0.290 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)[C@]3(C)CCNC(=O)C3)CO2)C1 1053843250 IEHQJVVTYSVONI-CZUORRHYSA-N 319.405 -0.115 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)c3cnc(OC)nc3)CO2)C1 1053972638 IDLQOSQKDAOLNV-LBPRGKRZSA-N 302.334 -0.309 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)Cn3ccccc3=O)CO2)C1 1054004554 PYFBNMPVFZWYOU-AWEZNQCLSA-N 315.373 -0.169 30 20 DBED N#Cc1ccc(N2CCN(C(=O)CCn3ccnn3)CC2)nn1 1055783427 RKQNZNCNTLCBGZ-UHFFFAOYSA-N 312.337 -0.321 30 20 DBED CC(C)N(C)CC(=O)N1CCC[C@](CO)(NC(=O)[C@@H](C)C#N)C1 1056095771 DJBDBUCWMXAILQ-BBRMVZONSA-N 324.425 -0.044 30 20 DBED N#Cc1ccc(N2C[C@H]3C(NC(=O)c4cc[n+]([O-])cc4)[C@@H]3C2)nn1 1056100274 MQOJKQIRMOUKAZ-CHWSQXEVSA-N 322.328 -0.154 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)COC(C)C 1057193706 OHRVZJAGDJPDQL-UHFFFAOYSA-N 302.371 -0.449 30 20 DBED N#Cc1ccc(N2CCC(NC(=O)[C@H]3COC(=O)N3)CC2)nn1 1057865032 VGFASDNNNRSXTO-LLVKDONJSA-N 316.321 -0.458 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)Cc1cncn1C 1058159403 IAADSDGLCIJKAL-UHFFFAOYSA-N 320.393 -0.441 30 20 DBED CCn1cc(C(=O)N[C@H]2CCN(c3nccnc3C#N)C2)nn1 1058432613 XLYRDFMPIQMNJX-JTQLQIEISA-N 312.337 -0.032 30 20 DBED N#Cc1ccc(N2CC[C@H](NC(=O)c3c[nH]c(=O)cn3)C2)nn1 1058533250 YCXJTWWVVNDAGG-JTQLQIEISA-N 311.305 -0.560 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)c1ncccc1O 1058653342 STXLXCXVKNQWLD-SNVBAGLBSA-N 306.322 -0.502 30 20 DBED Cc1c(C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N)cnn1C 1058653620 ZXUIYAFDRMGRPJ-JTQLQIEISA-N 307.354 -0.561 30 20 DBED N#Cc1cncc(N[C@H]2C[C@H](NC(=O)[C@H]3CC[C@@H]3C(N)=O)C2)n1 1059369944 HELBCGXGKXKYPP-QSFUFRPTSA-N 314.349 -0.081 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](CCNC(=O)CCOC)C1 1059501993 HPTYOPIDTMLFQH-CYBMUJFWSA-N 323.393 -0.483 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](CCNC(=O)c2cnn(C)n2)C1 1060289858 TVJGOYCPFXFSQA-WDEREUQCSA-N 304.354 -0.057 30 20 DBED N#Cc1ccc(NC[C@@H]2CCN(C(=O)Cn3cnnn3)C2)cn1 1060804698 ZVBURYHVGVIMFU-NSHDSACASA-N 312.337 -0.100 30 20 DBED CS(=O)(=O)CC(=O)N1CC[C@@H](CNc2ccc(C#N)nn2)C1 1060824913 LFTJBPOPGHBGAV-JTQLQIEISA-N 323.378 -0.347 30 20 DBED CCOCC(=O)NC[C@@H]1COCCN1C(=O)c1cc(C#N)c[nH]1 1061236248 LKWNWKLRINYYEP-GFCCVEGCSA-N 320.349 -0.120 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)CN1CCCC1=O 1061277691 JYXJGFKBNQSMCQ-NEPJUHHUSA-N 322.365 -0.888 30 20 DBED C=CCCC(=O)NC[C@@H]1COCCN1C(=O)CC(=O)NCC 1061406482 JTHYJJOWXUYKLS-GFCCVEGCSA-N 311.382 -0.178 30 20 DBED C=CCCCC(=O)N1CCOC[C@H]1CNC(=O)Cn1ncnn1 1061609028 VUGACGLRTRRCDC-GFCCVEGCSA-N 322.369 -0.627 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)[C@@H]2COCCN2C)CCC1 1062823650 AZVOTBXWRUXTER-RYUDHWBXSA-N 308.382 -0.368 30 20 DBED CN(C(=O)[C@@H]1COC(=O)N1)[C@@H]1CCN(c2ccc(C#N)nn2)C1 1062927939 BLJANWUJXQNVCM-MNOVXSKESA-N 316.321 -0.506 30 20 DBED CN(C(=O)[C@@H]1CNC(=O)N1)[C@@H]1CCN(c2ccc(C#N)cn2)C1 1063024918 KYLOLALGJRBKNL-NEPJUHHUSA-N 314.349 -0.328 30 20 DBED N#Cc1cnc(N2CC[C@@H]3CN(C(=O)CC(N)=O)CC[C@H]32)cn1 1063998342 AZVLMTIVOPWNIT-ZYHUDNBSSA-N 314.349 -0.349 30 20 DBED Cc1cc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)c2nnn(C)n2)c(C#N)cn1 1064324561 LPFPLDXTIIGUSH-ICCXJUOJSA-N 324.348 -0.208 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(C(=O)c2cn[nH]c2)CCO1 1064902625 RZCVDYMLKXJQOB-CYBMUJFWSA-N 320.349 -0.593 30 20 DBED C=CCCOCC(=O)NC[C@H]1CN(C(=O)c2ncc[nH]2)CCO1 1065125410 YMXYQSIYTPCMIT-LBPRGKRZSA-N 322.365 -0.040 30 20 DBED CNC(=O)NCCC(=O)N[C@@H]1CCCN(C(=O)[C@@H](C)C#N)CC1 1066131518 PBRMGXLTXNJMJR-NWDGAFQWSA-N 323.397 -0.038 30 20 DBED N#Cc1nccnc1N1C[C@@H](O)[C@H](CNC(=O)c2ccccn2)C1 1067642757 KAZTUSNHISEMDD-BXUZGUMPSA-N 324.344 -0.030 30 20 DBED C=CCCC(=O)N1CC2(C[C@@H](NC(=O)[C@H]3CCC(=O)N3)CO2)C1 1068763666 ZOHSYBHGEYKWCX-VXGBXAGGSA-N 321.377 -0.283 30 20 DBED C=CCOCC(=O)N[C@H]1COC2(C1)CN(C(=O)[C@H]1CCCO1)C2 1068764285 NOUIRNYAAWXHIZ-CHWSQXEVSA-N 324.377 -0.146 30 20 DBED CC(C)C#CC(=O)N[C@@H]1COC2(C1)CN(C(=O)CC(N)=O)C2 1068855767 MYBDRGWDUHUEMY-NSHDSACASA-N 307.350 -0.993 30 20 DBED C=CCN1C[C@H]2C[C@@H]3CN(C(=O)[C@H]4CNC(=O)N4)C[C@@]3(C1)O2 1070844707 KGJPMNVNPQDKCU-RTWAVKEYSA-N 306.366 -0.845 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)Cn4cncn4)C[C@@]3(C1)O2 1070887949 YPJFLBQDENCXCP-GZBFAFLISA-N 301.350 -0.787 30 20 DBED C[C@@]1(C(=O)N2CCC(=O)NCCN(CC#N)CC2)CCCOC1 1071011497 HOQYBJLAAHJXLN-MRXNPFEDSA-N 322.409 -0.023 30 20 DBED C#CCOCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)c2cnnn2C)C1 1072097983 UIKVEFMFTIHYNX-NEPJUHHUSA-N 319.365 -0.568 30 20 DBED C#CCOCCC(=O)N1C[C@H](C)[C@@H](NC(=O)c2cnon2)C1 1072101042 MGFVELIWUDHWLG-JQWIXIFHSA-N 306.322 -0.314 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCN(Cc3nc(=O)n(C)[nH]3)C2)C1 1072552367 OVOVPBLIMNYQOL-SNVBAGLBSA-N 304.354 -0.698 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@H]3CN([C@H]4CCNC4=O)C[C@H]32)[nH]1 1075700477 SDECRKJICRGKOW-LEWSCRJBSA-N 313.361 -0.079 30 20 DBED CC(=O)N(C)CC(=O)N[C@@H](C)CCNC(=O)c1ccc(C#N)[nH]1 1076177831 RDHZNXXFMLYJRN-JTQLQIEISA-N 319.365 -0.011 30 20 DBED C=CCOCC(=O)N[C@@H](C)CCNC(=O)c1cnn(C)c1N 1076237356 JBVKOAATLKOZHI-JTQLQIEISA-N 309.370 -0.171 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCn3cncc3C2)C1 1077251563 GOXPJDFPVAIQTN-BPLDGKMQSA-N 302.378 -0.370 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN([C@H](CC)C(N)=O)C[C@H]2O)cc1 1077495020 NWFRHTZYMBTJSW-RBSFLKMASA-N 315.373 -0.293 30 20 DBED C#CCCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C(C)(C)C(N)=O)C1 1081558587 LQNIICHEPKPXTF-NWDGAFQWSA-N 323.393 -0.763 30 20 DBED C=CCCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cnn(C)n2)C1 1081598029 MLMYWYLUOBULKE-WCQYABFASA-N 321.381 -0.280 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2[nH]nnc2C)C1 1081637249 KTMYPNBQXKVCTA-NEPJUHHUSA-N 319.365 -0.534 30 20 DBED C=CCOCC(=O)N1C[C@H](CNC(=O)c2ccncn2)[C@@H](O)C1 1081684496 HFGLSHNMUMPNDB-AAEUAGOBSA-N 320.349 -0.772 30 20 DBED C[C@@H](C#N)C(=O)N1CCCC[C@H]1CNC(=O)Cn1cncn1 1082267002 FFUADWYYNUETBI-RYUDHWBXSA-N 304.354 -0.065 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)[C@]2(C)CCCS2(=O)=O)C1 1083854382 PBZHARGQYFKBII-DYEKYZERSA-N 316.423 -0.309 30 20 DBED C=CCN1CC[C@@H]2CN(C(=O)CN3CC(=O)NC3=O)C[C@@H]2C1 1088142477 MAFDMVASOBZVJK-NEPJUHHUSA-N 306.366 -0.496 30 20 DBED CS[C@@H](C)C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1O 1090385452 FLOSKQUIHRVCPX-JMJZKYOTSA-N 307.379 -0.235 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2ccc(=O)n(C)c2)[C@@H](O)C1 1090390534 ICJFNCTZFYQJDZ-KBPBESRZSA-N 303.362 -0.426 30 20 DBED COCc1cc(N2C[C@@H](O)[C@H](NC(=O)[C@@H](C)C#N)C2)ncn1 1090403809 BISUGFXMQWHMCJ-MVWJERBFSA-N 305.338 -0.552 30 20 DBED C#CCN1CC[C@H](NC(=O)c2ccc(=O)n(CC)n2)[C@@H](O)C1 1090650747 CWTIACCACGLVSD-AAEUAGOBSA-N 304.350 -0.939 30 20 DBED CCO[C@H](CC)C(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1091078441 QYFRWTNAOPDDOL-FRRDWIJNSA-N 319.365 -0.171 30 20 DBED CC[C@H](OC)C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1091087344 KYTVAFIZFOYHCX-VWYCJHECSA-N 305.338 -0.561 30 20 DBED CC(C)N(C)CC(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1091116799 AIGWWWUSAKNOII-OLZOCXBDSA-N 318.381 -0.646 30 20 DBED CC(=O)N[C@@H](C)C(=O)N[C@H]1CCN(c2nccnc2C#N)[C@@H]1C 1091923136 SSKGCYJIRMAIHQ-UMNHJUIQSA-N 316.365 -0.044 30 20 DBED CCOCCC(=O)N[C@@H]1CCN(c2ccnc(C#N)n2)C[C@H]1O 1092153811 MVDOXSUNNMMILD-VXGBXAGGSA-N 319.365 -0.169 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)c3nc[nH]n3)c3nccn32)C1 1092404419 VNUIATQCANRNTI-LLVKDONJSA-N 311.349 -0.090 30 20 DBED N#Cc1nccc(N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)CNC(N)=O)n1 1092800607 OEUMNYCWAQMOEE-UTLUCORTSA-N 315.337 -0.758 30 20 DBED CN(C)C(=O)CC(=O)N1CCN(c2cncc(C#N)n2)CC1 1093200358 JRQGDBAEQHKOMI-UHFFFAOYSA-N 302.338 -0.525 30 20 DBED CC#CCN1CC(n2cc(CNC(=O)[C@H]3CCN(C)C3)nn2)C1 1094338518 IUHOTCCJSZHRGQ-ZDUSSCGKSA-N 316.409 -0.274 30 20 DBED CNC(=O)NC(C)(C)C(=O)NCCCNc1nccnc1C#N 1094461922 WYCIEJPQTPZCDI-UHFFFAOYSA-N 319.369 -0.026 30 20 DBED N#Cc1ccc(NCCCNC(=O)C[C@@H]2CC(=O)NC2=O)nc1 1094485543 KMLCFODVTPPZPR-LLVKDONJSA-N 315.333 -0.076 30 20 DBED N#Cc1nc(=NCCCNC(=O)CCCn2cncn2)cc[nH]1 1094573510 ABZVZQUGYKUBOR-UHFFFAOYSA-N 314.353 -0.240 30 20 DBED N#Cc1nc(=NCCCNC(=O)CO[C@@H]2CCOC2)cc[nH]1 1094592877 XRNXMCAGRPWWHI-LLVKDONJSA-N 305.338 -0.506 30 20 DBED C#CCCN1CC(N2C[C@H](NC(=O)C[C@H]3CCOC3)CC2=O)C1 1094716095 VPPVTOZTRUJFSC-ZIAGYGMSSA-N 319.405 -0.162 30 20 DBED CC(=O)NCC(=O)N1CC[C@H](N(C)c2nc(C)cc(C#N)n2)C1 1095088200 MAAXNFGGVJBNKK-ZDUSSCGKSA-N 316.365 -0.170 30 20 DBED CC(=O)N[C@@H](C)C(=O)NCCCN(C)c1cncc(C#N)n1 1095487434 UFNQOIRLTHADRH-JTQLQIEISA-N 304.354 -0.185 30 20 DBED CC[C@@H](NC(C)=O)C(=O)N1CCC(N(CC#N)CCO)CC1 1098485076 KPMMVMNOWCNTTJ-CQSZACIVSA-N 310.398 -0.290 30 20 DBED CN(C)C(=O)C1(C(=O)N2CCC(N(CC#N)CCO)CC2)CC1 1098528371 AKTYNQOLBPAYSL-UHFFFAOYSA-N 322.409 -0.336 30 20 DBED C[C@H]1CN(C(=O)[C@@H]2COC(=O)N2)CC2(CCN(CC#N)CC2)O1 1098593234 WERIQVGOBILLFN-RYUDHWBXSA-N 322.365 -0.300 30 20 DBED C=CCOCC(=O)N1CC[C@H](n2cc(CNCC#N)nn2)C1 1098645503 NYWODFYPDXUFPW-ZDUSSCGKSA-N 304.354 -0.133 30 20 DBED C[C@@H](CCNC(=O)[C@@H]1CN(C)C(=O)N1)N=c1cc[nH]c(C#N)n1 1099617136 QUDNOIZRJWRICU-UWVGGRQHSA-N 317.353 -0.900 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)c2ccco2)[C@@H](O)C1 1099624391 QLEGNCZTMRTISQ-RYUDHWBXSA-N 307.350 -0.253 30 20 DBED CCCCNC(=O)CN1CC[C@@H](NC(=O)C#CC2CC2)[C@@H](O)C1 1099826524 MGPUPOCCOVQOAI-CABCVRRESA-N 321.421 -0.133 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2cc(F)c[nH]2)[C@H](O)C1 1099922532 WMWACLQHXQECHA-GXTWGEPZSA-N 309.341 -0.031 30 20 DBED COCC#CCN1CC[C@H](NC(=O)Cc2ncc[nH]2)[C@H](O)C1 1100048638 OOLZFDCLCMCZNQ-QWHCGFSZSA-N 306.366 -0.847 30 20 DBED C#CCCN1CC[C@@H](NC(=O)C(=O)Nc2cc(C)on2)[C@H](O)C1 1100110475 WGUWIRAFELRECL-VXGBXAGGSA-N 320.349 -0.504 30 20 DBED CCN(CCNC(=O)CNC(=O)C1CC1)c1cnc(C#N)cn1 1100456604 SPZSECFOABEFAF-UHFFFAOYSA-N 316.365 -0.183 30 20 DBED CCn1cnc(C(=O)NCC2CC(NCC(=O)NCC#N)C2)c1 1100875905 ASZGMYRSCSEGEG-UHFFFAOYSA-N 318.381 -0.359 30 20 DBED CC(C)N(CCCNC(=O)CNC(N)=O)c1ccnc(C#N)n1 1102077697 SAFIJFNTZDREQU-UHFFFAOYSA-N 319.369 -0.262 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1CNC(=O)CCN(C)C 1102314420 HCOUDUJGPKAUNT-CHWSQXEVSA-N 309.414 -0.738 30 20 DBED CC[C@@H](CNC(=O)CCc1nc[nH]n1)N=c1cc[nH]c(C#N)n1 1103019767 WYMWZSZXQVVDCH-JTQLQIEISA-N 314.353 -0.172 30 20 DBED CC[C@H](CNC(=O)[C@@H](C)n1cncn1)N=c1cc[nH]c(C#N)n1 1103034731 NHMQKPDMKAOUGE-GHMZBOCLSA-N 314.353 -0.070 30 20 DBED C[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1CCNCC(=O)NCC#N 1104004745 KKKRCVGYVBBHQV-JHJVBQTASA-N 305.382 -0.140 30 20 DBED C[C@@H](CNc1ccc(C#N)nn1)N(C)C(=O)C1CS(=O)(=O)C1 1104698007 MJMHVQCMFYAYQI-VIFPVBQESA-N 323.378 -0.348 30 20 DBED COCCOCC(=O)N(C)CCN(C)c1ccnc(C#N)n1 1105347325 ZUEVGMIEFWBIJH-UHFFFAOYSA-N 307.354 -0.094 30 20 DBED Cc1cc(C#N)nc(N(C)CCN(C)C(=O)[C@H]2CCNC2=O)n1 1105535394 NTCMIAMGIYOMKI-LBPRGKRZSA-N 316.365 -0.313 30 20 DBED N#Cc1cncc(NC[C@H](O)CNC(=O)C[C@@H]2CCCO2)n1 1105718760 QASHASQWPWDTIV-RYUDHWBXSA-N 305.338 -0.194 30 20 DBED CC(C)SCC(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1 1105754171 GZUIBQQTIKBEHC-SNVBAGLBSA-N 309.395 -0.199 30 20 DBED Cc1cc(C#N)nc(NC[C@H](O)CNC(=O)Cc2cc[nH]n2)n1 1105763106 ZORBAZVNNMTWPV-GFCCVEGCSA-N 315.337 -0.489 30 20 DBED C=CCO[C@@H](C)C(=O)NC[C@@H](O)CNc1cc(C)nc(CO)n1 1105892243 SPYUNTLFOKITDX-RYUDHWBXSA-N 324.381 -0.243 30 20 DBED CCCN(C)CCC(=O)NC[C@@H](O)CNc1cnc(C#N)cn1 1105917476 JNJWZVFEPFUKCO-ZDUSSCGKSA-N 320.397 -0.031 30 20 DBED Cc1nocc1C(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1 1106083569 QNEFBESAZZSOSD-VIFPVBQESA-N 302.294 -0.731 30 20 DBED C[C@@H](CCNc1cnc(C#N)cn1)NC(=O)[C@H]1COCCN1C 1106277689 JYSATZRTQWAVTB-WCQYABFASA-N 318.381 -0.014 30 20 DBED CCN(CCNc1cnc(C#N)cn1)C(=O)Cc1nc[nH]n1 1106838695 QSBGSIBLZMKBLU-UHFFFAOYSA-N 300.326 -0.031 30 20 DBED N#Cc1c[nH]ccc1=NC/C=C\CNC(=O)[C@@H]1COCCO1 1107050704 JOSSUNORLOOKRQ-BOPNBLERSA-N 302.334 -0.125 30 20 DBED C#CCNC(=O)CC(=O)NC/C=C\CNc1nccc(OC)n1 1107130328 KUTSOWRRYVUIEP-PLNGDYQASA-N 317.349 -0.291 30 20 DBED C=CCNC(=O)CN1CCO[C@@](C)(CNC(=O)c2ccon2)C1 1107773281 LCIAUKPGLFUAFE-HNNXBMFYSA-N 322.365 -0.203 30 20 DBED C[C@@H](CC(=O)N[C@H](C)CN=c1cc[nH]c(C#N)n1)NC(N)=O 1107950721 SXVLPODZLYDDHM-DTWKUNHWSA-N 305.342 -0.866 30 20 DBED C#CCNC(=O)CN1CCO[C@@](C)(CNC(=O)[C@H]2C[C@@H]2C)C1 1108134568 OTBOAKDNRGWELM-XEZPLFJOSA-N 307.394 -0.401 30 20 DBED C[C@@]1(CNC(=O)CNC(=O)C2CCC2)CN(CC#N)CCO1 1108419056 AFQNOZPXGWNCBE-OAHLLOKOSA-N 308.382 -0.367 30 20 DBED C=C(C)CN1CC(N2C[C@H](NC(=O)[C@H](C)NC(C)=O)CC2=O)C1 1108500792 ZVUQGGMUUDVOLU-WCQYABFASA-N 322.409 -0.512 30 20 DBED CCOCCN1CC(N2C[C@H](NC(=O)[C@H](C)C#N)CC2=O)C1 1108528119 UBYUCRAHBRZZTP-VXGBXAGGSA-N 308.382 -0.416 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)C[C@@](C)(O)C3CC3)CC2=O)C1 1108536995 LEQPWKYEARSLPJ-SUMWQHHRSA-N 319.405 -0.428 30 20 DBED C=C(C)CN1CC(N2C[C@@H](NC(=O)CCNC(N)=O)CC2=O)C1 1108591040 RBOZBLGNJHDEET-NSHDSACASA-N 323.397 -0.978 30 20 DBED C[C@H](CN(C)c1ccnc(C#N)n1)NC(=O)c1nccnc1N 1108885675 JJFVUXXJXATZBL-SECBINFHSA-N 312.337 -0.025 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H](C)OCC#C 1109268041 VELZELZLWMMOQK-XGUBFFRZSA-N 317.389 -0.504 30 20 DBED C#CCN(C(=O)C(N)=O)C1CCN(c2ccnc(C)n2)CC1 1110628739 OGCIQZRWLMRLFD-UHFFFAOYSA-N 301.350 -0.299 30 20 DBED COC(=O)NCC(=O)N[C@@]1(C)CCN(c2nccnc2C#N)C1 1110710988 QFLOYIBIXIXJHZ-AWEZNQCLSA-N 318.337 -0.211 30 20 DBED CCOCC(=O)NC[C@@]1(O)CCN(c2nccnc2C#N)C1 1111022021 FXNTXDXAOVNUCV-AWEZNQCLSA-N 305.338 -0.558 30 20 DBED CN(C)CCC(=O)NC[C@@]1(O)CCN(c2ccc(C#N)cn2)C1 1111125359 GUUNLFXJQMKPJJ-INIZCTEOSA-N 317.393 -0.038 30 20 DBED C[C@H](Nc1ccc(C#N)nn1)[C@@H]1CCN(C(=O)CNC(N)=O)C1 1111205965 RTGIPBNPPASIQN-VHSXEESVSA-N 317.353 -0.335 30 20 DBED CNC(=O)CC(=O)N1CC[C@H]([C@H](C)N=c2cc[nH]c(C#N)n2)C1 1111212481 AHZBFILXLHCSIX-QWRGUYRKSA-N 316.365 -0.445 30 20 DBED N#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCC(=O)N1CCOCC1 1111362154 PGUCJXRPDIVGBM-MCIONIFRSA-N 320.393 -0.130 30 20 DBED Cn1cc(C(=O)N(CCO)CCNc2cnc(C#N)cn2)nn1 1111460861 QPXDPQVABCJMGL-UHFFFAOYSA-N 316.325 -0.977 30 20 DBED N#Cc1ccc(NCCN(CCO)C(=O)c2csnn2)nn1 1111532986 YGWAURXFQILGLO-UHFFFAOYSA-N 319.350 -0.254 30 20 DBED CC(=O)NCC(=O)NC[C@@H]1COCCN1c1ccncc1C#N 1111649897 XJFWLUXEOBHYLZ-CYBMUJFWSA-N 317.349 -0.589 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H]2CCC[C@]2(CNCCCO)C1 1112313644 GZBYJHVWKSARQZ-YOEHRIQHSA-N 321.421 -0.273 30 20 DBED CC(=O)NCC(=O)N1CCC[C@H]1CN(C)c1cncc(C#N)n1 1112778269 GRRLCVKEQFYBPL-ZDUSSCGKSA-N 316.365 -0.088 30 20 DBED COc1cccc(C(=O)N2CCN(CC(=O)NCC#N)CC2)n1 1113487441 VXGGAAVTHCMIHE-UHFFFAOYSA-N 317.349 -0.512 30 20 DBED CCNC(=O)CC(=O)NC[C@@H](C)N(C)c1ccnc(C#N)n1 1113566894 DRDUZWRWONJERX-SNVBAGLBSA-N 304.354 -0.185 30 20 DBED COCC#CCN1CCN(C(=O)Cn2ccccc2=O)CC1 1113619320 UNVCOQURKBCWPE-UHFFFAOYSA-N 303.362 -0.358 30 20 DBED C[C@@H](CNC(=O)CCn1cnnn1)N(C)c1ccnc(C#N)n1 1113686041 PVKKPFAKUQYOJI-JTQLQIEISA-N 315.341 -0.634 30 20 DBED C[C@@H](CC(N)=O)C(=O)NC[C@@H](C)N(C)c1nccnc1C#N 1113800229 YFBIZTXIVFSFHG-VHSXEESVSA-N 304.354 -0.199 30 20 DBED C[C@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)N(C)c1ccnc(C#N)n1 1113882269 SDBYAHGLJYOXEZ-BBBLOLIVSA-N 302.338 -0.589 30 20 DBED C[C@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)N(C)c1nccnc1C#N 1113882465 XCQBMGNHVGCURS-BBBLOLIVSA-N 302.338 -0.589 30 20 DBED C[C@@H](CNC(=O)CC(=O)N(C)C)N(C)c1nccnc1C#N 1113917321 SXXXGDDDGMEODG-JTQLQIEISA-N 304.354 -0.233 30 20 DBED C=CCCC(=O)NC1[C@H]2CN(CC(=O)NC(=O)NCC)C[C@H]12 1114005128 OCKOUTMKWGUGHZ-QWRGUYRKSA-N 308.382 -0.155 30 20 DBED Cc1ccncc1C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1114090842 KXBUNUYNXBHQIN-NHAGDIPZSA-N 313.361 -0.310 30 20 DBED C=CCOCCCC(=O)N[C@H]1[C@@H]2CN([C@H]3CCNC3=O)C[C@@H]21 1114112399 YVFMKWWXRZKXOV-SFDCQRBFSA-N 307.394 -0.096 30 20 DBED C#CCOCCC(=O)NC1[C@@H]2CN([C@H]3CCN(CC)C3=O)C[C@@H]12 1114268060 FECNSGUZTBJUHH-MCIONIFRSA-N 319.405 -0.307 30 20 DBED C#CCC1(C(=O)NC2[C@H]3CN(CC(=O)NCC#N)C[C@H]23)CCC1 1114394901 LAHUJAVQFWJIIT-STQMWFEESA-N 314.389 -0.134 30 20 DBED C=CCN1C[C@H]2[C@H](NC(=O)CS(=O)(=O)CCOC)[C@H]2C1 1114477034 CHJBMJDVISGEJY-PJXYFTJBSA-N 302.396 -0.720 30 20 DBED C=CCOCCN1C[C@H]2C(NC(=O)[C@@]3(C)CCNC3=O)[C@@H]2C1 1114826758 QTCMCPAAKJPOFO-HSMVNMDESA-N 307.394 -0.238 30 20 DBED C=CCCN1C[C@H]2C(NC(=O)CNS(=O)(=O)N(C)C)[C@@H]2C1 1114894817 MOJSEHLYABGKQF-GHMZBOCLSA-N 316.427 -0.995 30 20 DBED CNC(=O)NCC(=O)N[C@H](C)CCCNc1cncc(C#N)n1 1115107896 CZSSRWVBCPPKGX-SNVBAGLBSA-N 319.369 -0.026 30 20 DBED C=C(C)CN1C[C@H]2[C@H](NC(=O)CC[C@H]3NC(=O)NC3=O)[C@H]2C1 1115217627 YSABYQDVPJFWIG-XZUYRWCXSA-N 306.366 -0.403 30 20 DBED CC(C)N(C)CC(=O)NC1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]12 1115302174 OKYJCAILJSBRFV-VXGBXAGGSA-N 307.398 -0.987 30 20 DBED C#CCCNC1(CNC(=O)CN2CC(=O)NC2=O)CCCCC1 1115776108 JCXFHOURYDGASE-UHFFFAOYSA-N 320.393 -0.030 30 20 DBED N#CC1(NC(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)CC1 1116144588 XUHNJEXMPUCFPJ-UHFFFAOYSA-N 307.331 -0.268 30 20 DBED NC(=O)[C@H]1CCCCN1C(=O)CCN/C(O)=C1/N=CC=CC1=O 1116174530 KEENEMUUHPHICW-QMLLPTRZSA-N 320.349 -0.231 30 20 DBED COCCN(CCO)C(=O)C(=O)Nc1cc(C)n(CCC#N)n1 1116709837 SZMSVNTWOVWZDW-UHFFFAOYSA-N 323.353 -0.489 30 20 DBED C[C@]1(C#N)CCCN(C(=O)C(=O)NCCCn2cncn2)C1 1119067504 HQQRFLYFLIGHEU-CQSZACIVSA-N 304.354 -0.063 30 20 DBED C#CCCn1nnnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1120236079 OFXFWEAOXKZVCS-JTQLQIEISA-N 303.326 -0.831 30 20 DBED C[C@@H](CS(C)(=O)=O)N(C)C(=O)C(=O)N1CCC[C@H](C#N)C1 1120336951 UQVNFKDKXJDWFN-WDEREUQCSA-N 315.395 -0.360 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@H](CO)Nc1nccnc1C#N 1121404527 GPGJKLZWUKOFOI-YGRLFVJLSA-N 305.338 -0.436 30 20 DBED CCn1ccnc1C(=O)NC[C@@H](CO)Nc1ccc(C#N)nn1 1121412772 UVCXDNOWSQCGNJ-NSHDSACASA-N 315.337 -0.233 30 20 DBED Cc1cc(=N[C@@H](CO)CNC(=O)CC2(O)CCC2)c(C#N)c[nH]1 1121529206 VTBZQODCJDDIFB-CYBMUJFWSA-N 318.377 -0.122 30 20 DBED Cc1nc(N[C@H](CO)CNC(=O)[C@@H]2CCNC2=O)ccc1C#N 1122354855 JVZSEYCWFJLXJU-NWDGAFQWSA-N 317.349 -0.713 30 20 DBED COC[C@@H](OC)C(=O)NC[C@H](CO)Nc1ncccc1C#N 1122466054 KYDPEWOWGCGUPT-VXGBXAGGSA-N 308.338 -0.496 30 20 DBED Cc1ccoc1CC(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1 1122500560 IPOCNMBJZVIDPQ-NSHDSACASA-N 315.333 -0.197 30 20 DBED CN(C[C@@H](O)CNc1ccc(C#N)nn1)C(=O)c1ccon1 1124090633 LGQCPBWJGDDIPX-JTQLQIEISA-N 302.294 -0.119 30 20 DBED C=CCOCC(=O)NCCN[C@H]1CCN(c2cnn(C)c2)C1=O 1124773587 UFQZKCAKNCZMIB-ZDUSSCGKSA-N 321.381 -0.566 30 20 DBED CCCNC(=O)CN(C)C(=O)CNCCNC(=O)C#CC(C)C 1126834087 JSGGJPWKFINABS-UHFFFAOYSA-N 324.425 -0.664 30 20 DBED C#CCOCCC(=O)NCCNCC1CCS(=O)(=O)CC1 1127031424 BRUBEBJWEUHXKG-UHFFFAOYSA-N 316.423 -0.443 30 20 DBED C#CCO[C@H](C)C(=O)NCCNCc1nnnn1C(C)(C)C 1127039380 IIGJCZOZMZEPOV-LLVKDONJSA-N 308.386 -0.328 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NCCNC[C@@H](O)Cn1cccn1 1127612986 JLVBTUGJMYUTBE-KFWWJZLASA-N 322.409 -0.069 30 20 DBED CO[C@H](C)C(=O)N[C@@H]1CCc2nnc(CNCC#N)n2CC1 1127944381 RIIZZDCNGZUQKY-GHMZBOCLSA-N 306.370 -0.253 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1cnn(C)c1CCC 1130779326 BSSMXDKTNBQPNV-LBPRGKRZSA-N 319.409 -0.170 30 20 DBED C=C(C)CN1C[C@H]2C[C@H]3CN(C(=O)CNC(=O)NC)C[C@@]3(C1)O2 1131237850 NXDVLMJZEQEWLI-WOSRLPQWSA-N 322.409 -0.207 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)Cc1cc(CC)nn1C 1131602105 XTQGPUIHUHXRPE-GFCCVEGCSA-N 321.425 -0.079 30 20 DBED C[C@H]1CN(C(=O)COCCN(C)C)C[C@@]2(CCN(CC#N)C2)O1 1131693538 QHBBULKQHGNWNH-HOCLYGCPSA-N 324.425 -0.220 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1c(C)cc(C)nc1O 1132062015 PMOOKFCKDYVQRL-GFCCVEGCSA-N 318.377 -0.139 30 20 DBED CCCN(C)CC(=O)N[C@H]1CC[C@H](C)N(CC(=O)NCC#N)C1 1132441191 LXZPFBQQMHOLDW-KBPBESRZSA-N 323.441 -0.063 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)C[C@H](C)NCC(=O)N(C)C 1134130423 HMDSRQKUPLXAKB-NWDGAFQWSA-N 310.398 -0.913 30 20 DBED C#CCN[C@@H](C)C[C@@H](C)NC(=O)CN(C)CC(=O)NC(C)C 1134838969 GYOLSJHYUNAMOR-UONOGXRCSA-N 310.442 -0.051 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)C[C@@H]1CCC(=O)N1 1135223590 TVTAQDHQEQCWDS-LBPRGKRZSA-N 323.397 -0.877 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@@H](C)c1c(C)noc1C 1135313367 MSFBBSFGAFWKKQ-JTQLQIEISA-N 306.366 -0.150 30 20 DBED N#Cc1ccc(CNCCNC(=O)CCn2cnnn2)s1 1135677391 GGFLWPKWJXQTJW-UHFFFAOYSA-N 305.367 -0.098 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)Cc1[nH]cnc1C 1136031385 KCNVQAPAYOSHTP-VXGBXAGGSA-N 319.409 -0.117 30 20 DBED CCO[C@@H](CC)C(=O)N1CC2(CCN(CC(=O)NCC#N)C2)C1 1147094843 MNXIAHUXTNAJBW-ZDUSSCGKSA-N 322.409 -0.024 30 20 DBED C#Cc1ccc(C(=O)NCCNCCNC(=O)C2CC2)cn1 1148389588 NZFDZHBSORXVRP-UHFFFAOYSA-N 300.362 -0.092 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CN(Cc2nnn(C)n2)CCCO1 1149409523 UWWOURPZRAQNIM-WDEREUQCSA-N 307.358 -0.923 30 20 DBED CC#CCN1CCCO[C@H](CNC(=O)Cc2n[nH]c(C)n2)C1 1149680842 FQKHZOBJEHGMFG-CYBMUJFWSA-N 305.382 -0.114 30 20 DBED CC[C@@H]1C[C@H]1C(=O)NC[C@H]1CN(CC(=O)NCC#N)CCCO1 1150330896 ABLSQDWNVQPMIV-HZSPNIEDSA-N 322.409 -0.121 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)CNC(=O)c2ccco2)C1 1150664127 RBBIZYIDQZDQDU-CYBMUJFWSA-N 319.361 -0.150 30 20 DBED C=CCCOCC(=O)NCCNCC(=O)Nc1cc(C)nn1C 1153091617 WIGDQAIZPSPDFU-UHFFFAOYSA-N 323.397 -0.034 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)[C@H](C)n2cncn2)C1=O 1156798952 HIUBKNXTIPTEHC-STQMWFEESA-N 320.397 -0.278 30 20 DBED C#CCC1(C(=O)NCCCN[C@@H]2CCNC2=O)CCOCC1 1159644345 LVRQPWBBUXMHML-CYBMUJFWSA-N 307.394 -0.209 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)C(=O)NCC(F)F 1161575583 IQPHVTBNOXRFSD-SECBINFHSA-N 320.340 -0.846 30 20 DBED N#CCNCCN(CCc1ccccc1)C(=O)Cn1cnnn1 1162689149 XWHGTKFJYZZJLN-UHFFFAOYSA-N 313.365 -0.142 30 20 DBED C[C@H]1CO[C@@H](C(=O)NCCC2(CNCC(=O)NCC#N)CC2)C1 1166286676 PHIATQPVDRHIKK-CHWSQXEVSA-N 322.409 -0.073 30 20 DBED C#CCNCC1(CCNC(=O)[C@H]2CCN(C)S2(=O)=O)CC1 1167431482 CFSILZSJRFPKDP-GFCCVEGCSA-N 313.423 -0.470 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1cc2c([nH]1)CCC2 1170903717 WGTMHQVOUQPSJH-UHFFFAOYSA-N 302.378 -0.038 30 20 DBED C#CCCN1CCO[C@H]2CCN(C(=O)COCCN(C)C)C[C@H]21 1177137806 GSLMWPUBOKUZKD-CVEARBPZSA-N 323.437 -0.110 30 20 DBED C#CCN1CCC(C(=O)N2CC[C@H](NCC(=O)NC)[C@@H]2C)CC1 1180204121 HQXRWFKADWRJKN-ZFWWWQNUSA-N 320.437 -0.343 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](NCC(=O)NC(C)(C)C)C1 1182134783 XAOJUSGLGCETRH-GFCCVEGCSA-N 322.409 -0.769 30 20 DBED C#CCCNC[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C[C@@H]1C 1185640775 KMZHWKXTEXAMOV-STQMWFEESA-N 320.393 -0.364 30 20 DBED C=CCCN[C@@H]1CCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)C1 1186049752 UAQXRHWNDKSNQV-SNVBAGLBSA-N 308.338 -0.826 30 20 DBED C#CCCN[C@@H]1CCN(C(=O)CCNC(=O)[C@H]2CCCO2)C1 1188421570 BDFWDYPNFFZXHY-ZIAGYGMSSA-N 307.394 -0.115 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)[C@@H](C)NC(C)=O)C1 1188747232 NVLKFWZIJCGQTE-YPMHNXCESA-N 310.398 -0.654 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2cncnc2)C1 1189760069 HAJMVNZCPSNIPY-ZDUSSCGKSA-N 303.366 -0.075 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](N(C)[C@H]2CCCNC2=O)C1 1190127888 GOVDLEAUZWQWMR-KGLIPLIRSA-N 307.394 -0.162 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)CNC(=O)C2CCCC2)C1 1193201605 NRJHTSNOAISJQY-ZIAGYGMSSA-N 307.394 -0.523 30 20 DBED Cc1cnoc1C(=O)N1CC[C@H](N(C)CC(=O)NCC#N)C1 1193236337 YDWIYXXWHZRGER-NSHDSACASA-N 305.338 -0.231 30 20 DBED CCC(C)(C)CC(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1O 1193247463 BGYGJTOMPGRKFV-VXGBXAGGSA-N 310.398 -0.386 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2cnn(CC)n2)C[C@H]1O 1199312927 IAMWUVNRDJRPCR-IACUBPJLSA-N 323.397 -0.450 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)c2ncn(C)n2)CC1 1200370754 DJBWHXJIPDAFQG-UHFFFAOYSA-N 306.370 -0.689 30 20 DBED COc1ccc(C(=O)N2CCCO[C@H](CNCC#N)C2)nn1 1201784340 GLSYRDPPRUQJHR-LLVKDONJSA-N 305.338 -0.171 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)CN2CCC[C@@H]2C)CC1 1202495280 CFUCXQFEURDVEJ-AWEZNQCLSA-N 320.437 -0.199 30 20 DBED CCCN(C)CC(=O)N1CCC(NCC(=O)NCC#N)CC1 1203437418 LCVNBHGSJDLUPC-UHFFFAOYSA-N 309.414 -0.451 30 20 DBED CCCOCC(=O)N1CCC(CNCC(=O)NCC#N)CC1 1204698302 AWKMCJCPUFYCCB-UHFFFAOYSA-N 310.398 -0.119 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)CN(C)C(C)=O)[C@H](C)C1 1206096552 UZLOYHAWJDEZNE-DGCLKSJQSA-N 310.398 -0.797 30 20 DBED C#CCCNCC1CCN(C(=O)CN2C(=O)CN(C)C2=O)CC1 1206916484 NEOBMHOXQXAVLA-UHFFFAOYSA-N 320.393 -0.268 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCCN(C(=O)CC(=O)NCC)C1 1207878772 YZFYEROLEPOZKZ-QWHCGFSZSA-N 322.409 -0.769 30 20 DBED C#CCCN[C@H]1CCCN(C(=O)CN(C)S(=O)(=O)CC)C1 1210406763 CWLYFMWLHRGBAX-ZDUSSCGKSA-N 315.439 -0.128 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)Cc2cncs2)C[C@H]1C 1214906730 BNUVCZSPDQEQMO-DGCLKSJQSA-N 320.418 -0.129 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CN(C)C(=O)COC 1218057929 SXYFFLLDCCJXJZ-UONOGXRCSA-N 323.393 -0.974 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2cc(OC)no2)C[C@@H]1O 1219605172 KZAWEHRARNFMIN-RTXFEEFZSA-N 323.349 -0.617 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H](CCC)C(C)C)C1 1220451547 FJXLBIAJNCMLLN-ZNMIVQPWSA-N 323.437 -0.031 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)[C@H](C)OCC#C)[C@@H]2C1 1221540791 ARHHPFPHLPMJBS-RRFJBIMHSA-N 317.389 -0.693 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC(CNC(=O)[C@H](C)OC)CC1 1222512267 QPPUNTYHLOZZCW-OLZOCXBDSA-N 309.410 -0.013 30 20 DBED N#CCNC(=O)CN1CC[C@@H]2CCN(C(=O)c3cnco3)C[C@@H]21 1223214562 SLWPTRSUBTVODM-NEPJUHHUSA-N 317.349 -0.149 30 20 DBED C#CCN1CCC(CNC(=O)CCCN2C(=O)CNC2=O)CC1 1225372220 LOQJIFILSRREOU-UHFFFAOYSA-N 320.393 -0.220 30 20 DBED Cc1cc(C(=O)NC2CCN(CC(=O)NCC#N)CC2)nn1C 1226290982 CFDXXTIDQVENMO-UHFFFAOYSA-N 318.381 -0.438 30 20 DBED COCC#CCN1CCC(NC(=O)CCn2ccnn2)CC1 1227076620 OKWYUBKXHDCTMC-UHFFFAOYSA-N 305.382 -0.101 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)Cc2n[nH]c(C)n2)CC1 1227245192 YQBUDWMXOIDHSP-UHFFFAOYSA-N 320.397 -0.462 30 20 DBED C#CCN1CCC[C@@H](NC(=O)C(=O)Nc2ccc(=O)n(C)c2)C1 1262094105 VPTHYQRKOJONNI-GFCCVEGCSA-N 316.361 -0.462 30 20 DBED C#CCCCn1nnnc1N1CCC[C@@H](NS(C)(=O)=O)C1 1262410132 VRTJXERNOBOVLX-LLVKDONJSA-N 312.399 -0.396 30 20 DBED C#C[C@H](NC(=O)C(=O)N(C)CCCC(=O)NC)[C@@H]1CCCO1 1323528565 RCHSQWUZDLZYJH-RYUDHWBXSA-N 309.366 -0.732 30 20 DBED C#CCOCCNC(=O)C(=O)NC[C@@H]1COC2(CCCC2)O1 1323579720 RNADGMXSQYPIEO-GFCCVEGCSA-N 310.350 -0.446 30 20 DBED Cn1ncc(C(=O)NCC(=O)NCC#N)c1Br 1323966898 CMZUEOIAPZLAED-UHFFFAOYSA-N 300.116 -0.448 30 20 DBED Cc1nc(C#N)c(N2CCC(C(=O)NOCC(N)=O)CC2)o1 1325265304 TUYMQUGNVSLJCP-UHFFFAOYSA-N 307.310 -0.396 30 20 DBED C#CCSCCNC(=O)C(=O)N1C[C@@H](C)[C@H](C(=O)OC)C1 1326412066 GRCIWYTZOCRSSI-GHMZBOCLSA-N 312.391 -0.264 30 20 DBED CCC1(CO)CCN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)CC1 1326531892 IXRJKBGDWYFTOF-INIZCTEOSA-N 323.393 -0.125 30 20 DBED Cc1oc(-c2cnn(C)c2)nc1C(=O)NCC(=O)NCC#N 1328647905 BZUYOWAGARSWJK-UHFFFAOYSA-N 302.294 -0.247 30 20 DBED N#CCCN1CCN(CN2CC3(CCOCC3)[C@H](O)C2=O)CC1 1329673603 HIZNCUJSSNTRJD-CQSZACIVSA-N 322.409 -0.525 30 20 DBED C=CCN(C(=O)C(=O)N1CC[C@H](NC(N)=O)C1)[C@H](C)COC 1329751156 VHDLMJXPMCCVNZ-MNOVXSKESA-N 312.370 -0.695 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)N2CC[C@@](F)(CO)C2)CCN1C1CC1 1329865057 KMSVZYNCBVAZJA-WFASDCNBSA-N 324.356 -0.882 30 20 DBED Cc1c(C#N)cccc1C(=O)NCCOCCS(N)(=O)=O 1331394139 TXLBUYRFSAYBJU-UHFFFAOYSA-N 311.363 -0.098 30 20 DBED C#C[C@H](NC(=O)C(=O)NCC(=O)N(CC)CC)[C@H]1CCCO1 1331607453 DNHGODPSONWVBH-NWDGAFQWSA-N 309.366 -0.732 30 20 DBED C=C(C)COCCNC(=O)C(=O)N[C@H](C)c1nnnn1C1CC1 1332615648 GRXOYPJUVXKPFU-SNVBAGLBSA-N 322.369 -0.106 30 20 DBED C[C@H](NC(=O)C(=O)N1CCC[C@H](C#N)C1)[C@@H]1CN(C)CCO1 1333530844 ZWKNUDRFSWZJIB-XQQFMLRXSA-N 308.382 -0.416 30 20 DBED C#CCNCC(=O)N[C@@H]1CCCN(CCN2CCOCC2)C1 1341607609 MTFVGXSYJYUXHO-OAHLLOKOSA-N 308.426 -0.878 30 20 DBED C=C(C)Cn1c([C@H]2CCNC(=O)C2)nnc1N1CCNC(=O)C1 1342155778 CBJSKSXAHHRLTA-NSHDSACASA-N 318.381 -0.216 30 20 DBED Cc1ccc(CNC(=O)C(=O)N2CCO[C@H](C#N)C2)c(=O)n1C 1343450157 DNXQHXASCPINQJ-GFCCVEGCSA-N 318.333 -0.939 30 20 DBED CCn1nc(C)c(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)n1 1343916241 LWPMWPTTZSMBGK-WYMLVPIESA-N 318.337 -0.137 30 20 DBED C#CCOCCNC(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C 1346545257 ZFGJHSBFHPMAGO-CYBMUJFWSA-N 309.410 -0.011 30 20 DBED COCC#CC(=O)N1CCC(N2CCCS2(=O)=O)CC1 1347797094 RDVUEGKYGVYZTK-UHFFFAOYSA-N 300.380 -0.337 30 20 DBED N#CCN(C(=O)c1nc(N)nc(N2CCOCC2)n1)C1CC1 1349521622 FUCMLHNRVVBPLE-UHFFFAOYSA-N 303.326 -0.581 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)[C@H]2CN3CCN2C[C@@H]3C)C1=O 1349797004 BDENHVGTJAHJMS-MELADBBJSA-N 306.410 -0.380 30 20 DBED CCN(CCNC(=O)Cn1cc(C#N)c(O)nc1=O)C1CC1 1362204514 FJWBAECCRVGDLZ-UHFFFAOYSA-N 305.338 -0.579 30 20 DBED COC(=O)C1(C#N)CCN(C(=O)[C@H](C)CS(C)(=O)=O)CC1 1362540173 ZTXUAHAYMYPJHE-SNVBAGLBSA-N 316.379 -0.028 30 20 DBED N#Cc1cn(CCC(=O)NCc2cnccn2)c(=O)nc1O 1363684080 LVXGCITYRIYCBZ-UHFFFAOYSA-N 300.278 -0.683 30 20 DBED CNC(=O)C[C@H](C)NS(=O)(=O)N(CCC#N)CCOC 1364003544 FDRSBYOAEBBCGF-JTQLQIEISA-N 306.388 -0.793 30 20 DBED Cn1cc(S(=O)(=O)NCc2ccc(C#N)cc2)c(O)nc1=O 1365661165 ZMWGPRCPMZXNJC-UHFFFAOYSA-N 320.330 -0.164 30 20 DBED CC[C@H](CNS(C)(=O)=O)NC(=O)N1CCO[C@H](C#N)C1 1370103456 IQFSNOUKCOZKLU-NXEZZACHSA-N 304.372 -0.752 30 20 DBED C[C@@H](C#N)C(=O)NC[C@](C)(NC(=O)Cn1cnnn1)C1CC1 1375329130 HXHJQGLYKWQQBR-ZANVPECISA-N 305.342 -0.766 30 20 DBED Cc1cc(CC(=O)N(C)C[C@H](O)CNC(=O)[C@H](C)C#N)no1 1384202676 VRRHITDJWWKMSV-BXKDBHETSA-N 308.338 -0.379 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CCN(C(=O)CCS(C)(=O)=O)C1 1385383892 ZBRTYRYXWRIHIM-QWRGUYRKSA-N 315.395 -0.360 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]1CNC(=O)C(C)(C)N1CCOCC1 1389698615 RRUQDVZTKYUVSX-OLZOCXBDSA-N 322.409 -0.026 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1cn2c(n1)CCCC2 1392106545 AYLTXCNXKXPLBR-GHMZBOCLSA-N 319.365 -0.414 30 20 DBED C[C@@H](CNC(=O)c1cc(C(N)=O)ccn1)NC(=O)[C@@H](C)C#N 1397484559 JXHBQQOESHUXCC-IUCAKERBSA-N 303.322 -0.425 30 20 DBED N#Cc1ccccc1CN1CC[C@H]1CNC(=O)Cn1cnnn1 1406819825 ZWXQYSVUSPSWBX-AWEZNQCLSA-N 311.349 -0.065 30 20 DBED C[C@H](C#N)C(=O)NCC1CN(C(=O)C(C)(C)S(C)(=O)=O)C1 1409176295 WLBPBODDEVLNRN-SECBINFHSA-N 315.395 -0.456 30 20 DBED CC(=O)N(C)CC(=O)N(C)[C@H](C)CNC(=O)c1cc(C#N)c[nH]1 1411525229 UBJFCZOGQZXPLX-SNVBAGLBSA-N 319.365 -0.059 30 20 DBED C[C@H](C#N)C(=O)N(CCNC(=O)c1cnn(C)c1N)C1CC1 1415852392 DLYDWPFIKGBAKQ-SECBINFHSA-N 304.354 -0.117 30 20 DBED CC(=O)N[C@H](C)C(=O)N1CC[C@H]1CNC(=O)c1cc(C#N)c[nH]1 1417019606 FTKJRGYEZVQNGA-SKDRFNHKSA-N 317.349 -0.258 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)C1(F)CCOCC1 1433311641 WMRPNIXZGFOQAY-UWVGGRQHSA-N 301.318 -0.742 30 20 DBED Cc1nn(C)c(NC(=O)CCN2CCCS2(=O)=O)c1C#N 1433521372 UJZJESQODXAYHP-UHFFFAOYSA-N 311.367 -0.036 30 20 DBED C[C@H](Cc1cnc[nH]1)C(=O)NCCn1cc(C#N)c(O)nc1=O 1434206290 FSJBAEHTHFWMNK-SECBINFHSA-N 316.321 -0.461 30 20 DBED Cc1oc(NC(=O)CN(C)CCS(N)(=O)=O)c(C#N)c1C 1460717865 LZPHCVMTLXTEPS-UHFFFAOYSA-N 314.367 -0.073 30 20 DBED C[C@@H](CO[C@H]1CCOC1)NC(=O)Cn1cc(C#N)c(O)nc1=O 1466009036 IITZPUMPTHAYAA-ONGXEEELSA-N 322.321 -0.869 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNCc1ccnc(N(C)C)c1 1482715457 GVVFSUIXDSVSQA-YPMHNXCESA-N 305.382 -0.126 30 20 DBED COc1cc(C(=O)N2CC(CNC(=O)[C@H](C)C#N)C2)ncn1 1530881054 UWWHRUJGAVOFNT-SECBINFHSA-N 303.322 -0.167 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CC[C@H](CNC(=O)Cn2cnnn2)C1 1573159237 NTNBJDONKHKERB-QWHCGFSZSA-N 316.365 -0.512 30 20 DBED C=CCCCC(=O)N1CC[C@](O)(CNC(=O)CNC(=O)O)C1 1573356629 FJRRCGRVJDLZAH-AWEZNQCLSA-N 313.354 -0.310 30 20 DBED C=CCO[C@@H](C)C(=O)N1C[C@H]2[C@H](NC(=O)CNC(=O)O)[C@H]2C1 1573368195 JSSQADDIPHFBIT-UXCLJVHYSA-N 311.338 -0.582 30 20 DBED CN(C)S(=O)(=O)C1(CNC(=O)[C@](C)(C#N)CC(=O)O)CC1 1573990994 WJNPKCMFDDISLM-NSHDSACASA-N 317.367 -0.469 30 20 DBED C#CCCCC(=O)NC[C@H](C)N(C)CC(=O)NCc1cnn[nH]1 1574867946 ZUATZGCMWAYHMB-LBPRGKRZSA-N 320.397 -0.339 30 20 DBED COC[C@@]1(CO)CCN(c2cnc(-c3nn[nH]n3)c(C#N)n2)C1 1579747073 NLZKCOBZCZADET-ZDUSSCGKSA-N 316.325 -0.636 30 20 DBED N#Cc1sccc1C(=O)NCCn1cnc(-c2nn[nH]n2)n1 1581886021 VVDFCZXWMXDSGM-UHFFFAOYSA-N 315.322 -0.179 30 20 DBED C#C[C@H]1COCCN1S(=O)(=O)c1ccc(-c2nn[nH]n2)cn1 1588330545 FWGRVPHELBPWMF-JTQLQIEISA-N 320.334 -0.716 30 20 DBED CC(C)(C(=O)O)n1ccc(NC(=O)Cn2cnc(C#N)n2)n1 1588622029 VWXPWSUYMRPTBW-UHFFFAOYSA-N 303.282 -0.195 30 20 DBED N#Cc1ccc([C@H](O)C(=O)NCCOCCOCC(=O)O)cc1 1594618007 XLDBNRNTMXREFV-AWEZNQCLSA-N 322.317 -0.174 30 20 DBED CN1CCN(C(=O)CNc2ccc(C(=O)O)nc2C#N)CC1 1598606659 AKIBLODHXYGCPE-UHFFFAOYSA-N 303.322 -0.163 30 20 DBED C#CCN1CCN(C(=O)CN2C[C@@H](C)[C@H](CC(=O)O)C2)CC1 1602719688 AZWOJYXAZVVGEV-ZIAGYGMSSA-N 307.394 -0.194 30 20 DBED C=CC[C@H](C(=O)O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 1602835742 WJNUISCRVNRAGF-NWDGAFQWSA-N 302.396 -0.180 30 20 DBED C=CCOC[C@@H](NC(=O)Cn1c(C)cc(C)nc1=O)C(=O)O 1609443235 WJSOSKYLTMCPJC-LLVKDONJSA-N 309.322 -0.368 30 20 DBED Cc1cc(C#N)cnc1C(=O)N(C)N1CCS(=O)(=O)CC1 1646987519 DRBFZZAWFORIPU-UHFFFAOYSA-N 308.363 -0.021 30 20 DBED CCN1CCOC[C@H]1C(=O)N1CCC[C@@H]1CNCC#CCOC 1716779788 HJKCWPZNKDRBDF-CVEARBPZSA-N 323.437 -0.063 30 20 DBED COCC#CCN[C@H](CNC(=O)[C@@H](C)n1cncn1)C1CC1 1752460931 WKTNJFXFSRLNJX-TZMCWYRMSA-N 305.382 -0.027 30 20 DBED CC#CCN[C@@H](CNC(=O)CN1C(=O)CN(C)C1=O)C1CC1 1752495702 ZZAPKUPZTHGAPU-LBPRGKRZSA-N 306.366 -0.612 30 20 DBED C#CCNC(=O)CN[C@H](C)CNC(=O)c1cn(C)nc1CC 1752881174 VAZDKIHNFUXQHG-LLVKDONJSA-N 305.382 -0.560 30 20 DBED N#CCNCCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1752926709 WVEPOVXUKOCBEP-MQYQWHSLSA-N 320.393 -0.653 30 20 DBED C=CCNC(=O)CN(C)C[C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 1753355933 MLRBKYFNINPGRR-XQQFMLRXSA-N 322.409 -0.810 30 20 DBED N#CCNC(=O)CN1CC(CNC(=O)CCC2CCOCC2)C1 1753411249 HLWKAAVRZQPKMQ-UHFFFAOYSA-N 322.409 -0.119 30 20 DBED C#CCCNC[C@H](O)CNC(=O)[C@@H](C)N(C)CC(F)(F)F 1753925248 JXSYTHZQESUOPC-MNOVXSKESA-N 309.332 -0.041 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)N(C)C1CN([C@@H](C)C(=O)NC)C1 1754583346 UVUDFIJPIZPRJP-FZMZJTMJSA-N 324.425 -0.266 30 20 DBED C=CCNC(=O)[C@H](C)NC[C@@H]1CCCN1C(=O)C(C)(C)C(N)=O 1754612262 NEZZWFTZJPMIJA-RYUDHWBXSA-N 324.425 -0.231 30 20 DBED CC#CCCCC(=O)N1CCN([C@@H]2CCN(CC(N)=O)C2)CC1 1754663252 OVJPKDGDJOJJON-OAHLLOKOSA-N 320.437 -0.116 30 20 DBED C=CCNC(=O)CN1C[C@H]2CN(C(=O)c3cc[nH]n3)C[C@H]2C1 1754841692 UMPQPPFZMNKALA-TXEJJXNPSA-N 303.366 -0.284 30 20 DBED C#CCN[C@]1(CO)CCCN(C(=O)c2cnn3ccncc23)C1 1755086492 SHLUWCUYMUQOTE-MRXNPFEDSA-N 313.361 -0.081 30 20 DBED C#CCCNCC1(O)CCN(C(=O)CCc2cn(C)nn2)CC1 1755155969 KECCHMJNXKUWKQ-UHFFFAOYSA-N 319.409 -0.286 30 20 DBED C#CCNCC1(O)CCN(C(=O)[C@@H](CCCC)NC(N)=O)CC1 1755155974 KKXQSESTVCIHLG-CYBMUJFWSA-N 324.425 -0.210 30 20 DBED C=C(C)CCN[C@H](C)[C@@H](C)NC(=O)CN1C(=O)C(=O)N(C)C1=O 1755256836 OXSAGZYIOCUANN-GHMZBOCLSA-N 324.381 -0.144 30 20 DBED C[C@@H](CNC(=O)c1c[nH]c(C#N)c1)N(C)[C@@H]1CCC(=O)NC1=O 1755295635 AQOIIHAVCHWRHU-JOYOIKCWSA-N 317.349 -0.258 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@@H](C)CNC(=O)C(C)(C)C(N)=O 1755302439 BMMZSNBCTRHRRN-QWRGUYRKSA-N 310.398 -0.928 30 20 DBED Cc1cc(C(=O)NC[C@@H](CO)NC(=O)CSCC#N)cnn1 1756515621 NGGKWLVYNIJIRZ-NSHDSACASA-N 323.378 -0.751 30 20 DBED CC(C)(C)C#CC(=O)N1CC2(CCN(C(=O)CNC(N)=O)C2)C1 1756832158 XFWKBWDFHGDTMH-UHFFFAOYSA-N 320.393 -0.235 30 20 DBED C=CCCC(=O)N[C@@H]1CN(C(=O)[C@H]2CC(=O)N(C)C2)C[C@@H]1O 1757161228 UOVIUDJCNAVJDF-TUAOUCFPSA-N 309.366 -0.881 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1c[nH]nc1C)CCO2 1783054409 MHSSHKMAUMYEBC-OAHLLOKOSA-N 302.334 -0.205 30 20 DBED N#CCCNC(=O)COC(=O)c1ccc(OCC(N)=O)cc1 18822348 DXWCDNFPCZKJBX-UHFFFAOYSA-N 305.290 -0.263 30 20 DBED CS(=O)(=O)NCC/N=C(/N)N[C@@H]1CCOc2ccccc21 83030817 PAIVKMHBVLIGSR-LLVKDONJSA-N 312.395 -0.036 30 20 DBED C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCN(C(=O)CO)CC1 89423186 LJSZUAUKHKKVGH-ZDUSSCGKSA-N 322.409 -0.146 30 20 DBED C[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccc(C#N)cc1F 125237160 HSEYJVOOFDKKOH-QMMMGPOBSA-N 304.281 -0.017 30 20 DBED COC(=O)CCCS(=O)(=O)N1CCN(CCC#N)CC1 158766566 DPVJPVFCHXLDPS-UHFFFAOYSA-N 303.384 -0.199 30 20 DBED C[C@H]1CN(CCC(=O)N(C)CCC#N)CCN1S(C)(=O)=O 181603622 UFAMPBAPYHDMIU-LBPRGKRZSA-N 316.427 -0.286 30 20 DBED C#CCNc1nc(N[C@H](C=C)CO)nc(N[C@H](C=C)CO)n1 291162901 QEOBGOUZKZWMCY-GHMZBOCLSA-N 304.354 -0.166 30 20 DBED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCOCC2)c1 313529653 ZRGUUEQPXLZUCR-UHFFFAOYSA-N 309.347 -0.305 30 20 DBED CN1C[C@H](/N=C(/O)CSCC(=O)N2CCOCC2)CC1=O 328724600 YQOWLOYLQDUHRJ-SNVBAGLBSA-N 315.395 -0.234 30 20 DBED CN1CCO[C@@H]2CN(/C(O)=N/CCn3ccccc3=O)C[C@@H]21 328843167 WBVCGDKCJXBSNB-QWHCGFSZSA-N 306.366 -0.223 30 20 DBED CN1CCO[C@H](C/N=C(/O)c2cnc3n(c2=O)CCS3)C1 329085694 UJPRPXWMJHDJDW-SECBINFHSA-N 310.379 -0.016 30 20 DBED C[C@@H]1C[C@@H]1N1C[C@H](/N=C(/O)N2CCN3CCOC[C@@H]3C2)CC1=O 329855255 TYBALJCKRGFAEN-MQYQWHSLSA-N 322.409 -0.074 30 20 DBED N#Cc1cncc(S(=O)(=O)NC[C@H]2CCCS2(=O)=O)c1 336842935 VRPMKQNZGNPHRW-SNVBAGLBSA-N 315.376 -0.191 30 20 DBED CC(C)OC(=O)[C@@H](C)N(C)S(=O)(=O)N1CCO[C@H](C#N)C1 336948072 QBWYYIHUZACOHR-GHMZBOCLSA-N 319.383 -0.273 30 20 DBED CCOCCOCCN(C)S(=O)(=O)N1CCO[C@H](C#N)C1 337197649 XLFBAWBNXZMKHJ-GFCCVEGCSA-N 321.399 -0.560 30 20 DBED C=CC[C@@H](C)NC(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 342530340 RJRFCZMALFKWSW-GHMZBOCLSA-N 317.411 -0.056 30 20 DBED CC(C)(O)CN1CCN(C(=O)C(=O)NCCCCC#N)CC1 343146195 FLLKVDQKDBSOKO-UHFFFAOYSA-N 310.398 -0.288 30 20 DBED COC[C@H]1CN(C(=O)NCCn2cnc(C#N)n2)C[C@@H](C)O1 347636257 QZAZULXMQQITKT-GHMZBOCLSA-N 308.342 -0.405 30 20 DBED C=CCn1c(O)nnc1SCC(=O)N[C@@H](C)C(=O)N(C)C 348126716 XVYLQXUUGHMLCG-QMMMGPOBSA-N 313.383 -0.145 30 20 DBED COCCN1CC[C@@H](NS(=O)(=O)c2cncc(C#N)c2)C1 352177015 XFCYCSSXUJHTTC-GFCCVEGCSA-N 310.379 -0.048 30 20 DBED C=CCCC[C@@H](C)NC(=O)C(=O)N1CC[C@@H](S(N)(=O)=O)C1 352239433 VVEGKCKLMYVRBH-GHMZBOCLSA-N 317.411 -0.263 30 20 DBED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CC[C@H](CO)C2)cc1 355251565 DQTWPUHJBGFKQX-LBPRGKRZSA-N 323.374 -0.323 30 20 DBED N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@H]2CCOC2)cc1 355386730 QVUWXWQTMYTFSQ-NSHDSACASA-N 309.347 -0.258 30 20 DBED N#CC1(CS(=O)(=O)N(CC(N)=O)CC(N)=O)CCCCC1 355863573 GTXBZUOVAOSPEK-UHFFFAOYSA-N 316.383 -0.937 30 20 DBED N#CCNC(=O)CNC(=O)C(=O)N1CCCc2ccc(F)cc21 357292631 SDVGFFDGRNNMSQ-UHFFFAOYSA-N 318.308 -0.139 30 20 DBED CN1CC[C@@](O)(CNC(=O)C(=O)Nc2ccc(F)c(C#N)c2)C1 358132169 WSRIXFXHINBVCH-OAHLLOKOSA-N 320.324 -0.181 30 20 DBED CC(C)n1cc(C#N)c(NC(=O)C(=O)NC[C@@H](C)N(C)C)n1 359055497 ILBCUVGFUGBUAV-SNVBAGLBSA-N 306.370 0.340 30 20 DBED N#Cc1ccc(NC(=O)C(=O)NCCn2ncnn2)c(Cl)c1 359378743 JBMNDUKKGAUFCL-UHFFFAOYSA-N 319.712 -0.047 30 20 DBED N#Cc1cccc(CCNC(=O)NCCN2C(=O)CNC2=O)c1 360625694 MZUSMNXPZZIVCL-UHFFFAOYSA-N 315.333 -0.048 30 20 DBED CNC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2C#N)CCO1 368075873 NEDJVUMVYMJXFU-NSHDSACASA-N 309.347 -0.306 30 20 DBED CCN(C[C@@H](C)C#N)C(=O)C1CCN(S(N)(=O)=O)CC1 408022211 WCQUDLRCXIQURH-JTQLQIEISA-N 302.400 -0.090 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)NCC1(C(=O)O)CCOCC1 565302565 BBBUXLBDRUSFLH-SNVBAGLBSA-N 319.383 -0.206 30 20 DBED C[C@H](C#N)S(=O)(=O)N1CCC[C@](O)(C(=O)N2CCCC2)C1 566865579 DMVIOBZJRIGJEQ-DGCLKSJQSA-N 315.395 -0.322 30 20 DBED CC(CO)(CO)CNC(=O)CNC(=O)c1ccc(C#N)cc1 575611781 IWXJDEUUNOORKD-UHFFFAOYSA-N 305.334 -0.605 30 20 DBED COC(=O)[C@@H]1COCCN1S(=O)(=O)CC1(C#N)CCC1 589223151 XYRFJGKNDFFXNM-JTQLQIEISA-N 302.352 -0.116 30 20 DBED C[C@H](NS(=O)(=O)c1cncc(C#N)c1)[C@@H]1CN(C)CCO1 589284834 CNLAERXRDICGPO-GWCFXTLKSA-N 310.379 -0.049 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1CCC(=O)N(C)CC1 594866285 UZXGOBNKTLWGPE-UHFFFAOYSA-N 318.399 -0.743 30 20 DBED CNS(=O)(=O)N1CCN(C(=O)NCC(C)(C)C#N)CC1 596551036 YGMMKBRSRRVMLC-UHFFFAOYSA-N 303.388 -0.672 30 20 DBED C[C@@H]1COCCCN1C(=O)C(=O)N1CCN(CCC#N)CC1 601462537 CUNZDGHUKPSUBY-CYBMUJFWSA-N 308.382 -0.318 30 20 DBED COc1ccc(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)c(OC)n1 609282738 KGQNJFOTHIWFEW-VIFPVBQESA-N 320.305 -0.212 30 20 DBED C=C[C@H](CO)NC(=O)N[C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O 664265945 WZPWKLLDHGGTBA-FOGDFJRCSA-N 307.354 -0.240 30 20 DBED C=CCNC(=S)N1CCN(CC(=O)NCCOC)CC1 730595306 CDAGDWUVKJOBPN-UHFFFAOYSA-N 300.428 -0.573 30 20 DBED C=CCNC(=O)COC(=O)[C@H](C(C)C)N1CCCS1(=O)=O 773186306 JQVRHVZQNVKNHU-LBPRGKRZSA-N 318.395 -0.108 30 20 DBED CCN(CCCO)C(=O)C(=O)NCCNc1ncccc1C#N 787779223 WLNXZJZQSULWKP-UHFFFAOYSA-N 319.365 -0.288 30 20 DBED CN(C[C@H](O)CN1CCOCC1)S(=O)(=O)CC(C)(C)C#N 790030533 AROWBLIPZVZSSZ-LBPRGKRZSA-N 319.427 -0.509 30 20 DBED C#CCC[C@@H](O)CNC(=O)[C@H](C(C)C)N1CCCS1(=O)=O 799075401 KGOGXVRAEHUJLE-OLZOCXBDSA-N 316.423 -0.063 30 20 DBED C#CCNC(=O)CCN1CCC(N2CCC[C@@H]2C(N)=O)CC1 815074605 YVPCXJDSXOXCOR-CQSZACIVSA-N 306.410 -0.460 30 20 DBED C[C@@](C#N)(CC(=O)O)C(=O)NCCCN1CCCS1(=O)=O 819834949 RDXCVHHOLNSPNM-LBPRGKRZSA-N 317.367 -0.467 30 20 DBED COC(OC)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 822343412 DXDLBWZOBSCKLY-UHFFFAOYSA-N 307.354 -0.132 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 825089439 CSCWFNAZVQKQIP-OLZOCXBDSA-N 314.407 -0.740 30 20 DBED C#CC[C@@H](NC(=O)CS(=O)(=O)N(CC)CC)C(=O)OC 837942224 MOOHBUUCKAVVLB-SNVBAGLBSA-N 304.368 -0.661 30 20 DBED C#CC[C@H](CO)NC[C@H](O)Cn1c(-c2ccccc2)noc1=O 843077362 NXZOXVWISMCGGW-KGLIPLIRSA-N 317.345 -0.162 30 20 DBED CC#CC[C@H](CO)NC(=O)[C@H](CO)NC(=O)c1cccc(F)n1 846277277 GKEVVTROAOVQPE-PWSUYJOCSA-N 323.324 -0.798 30 20 DBED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2C[C@H](O)C2)c1 856392862 GLTCGFYNDMGMAB-HAQNSBGRSA-N 308.359 -0.149 30 20 DBED C#CCOc1cccc(NC(=O)C(=O)NC[C@@H]2COCCN2)c1 861519389 LLIGCYYJRMETKZ-CYBMUJFWSA-N 317.345 -0.258 30 20 DBED C=CCC1(O)CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC1 884723673 UVMDGYSCQKSSMU-UHFFFAOYSA-N 304.350 -0.137 30 20 DBED C#CC1(O)CN(C(=O)c2ccc(C[C@H]3CC(=O)NC3=O)cc2)C1 890523555 RZPVTGPVIGPXFS-ZDUSSCGKSA-N 312.325 -0.288 30 20 DBED C=CCN1CC(=O)N(CCS(=O)(=O)N2CCCC2)C1=O 900138566 LFVDHPMFPFRNNJ-UHFFFAOYSA-N 301.368 -0.138 30 20 DBED C#CCN1CCC[C@@H](NC(=O)[C@H]2C[C@H](OC)CN2C(C)=O)C1 923560436 AUCGYVSBODNNDA-QLFBSQMISA-N 307.394 -0.164 30 20 DBED O=C(NCC#CCO)N1CCC[C@H](N2CCCS2(=O)=O)C1 923767823 CRIOBUJPQPHKGM-LBPRGKRZSA-N 315.395 -0.808 30 20 DBED COCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)NCC#CCO)C1 923781836 CZKWGYXLBVKXPJ-OLZOCXBDSA-N 311.382 -0.445 30 20 DBED CN(C(=O)c1nnn(C)n1)[C@@H]1CCN(C(=O)C#CC2CC2)C1 937349659 IYXVKGNLAPNFFP-LLVKDONJSA-N 302.338 -0.704 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)c2cc3n(n2)CCO3)C1 938131476 WHNQJVFYXGBWJS-UWVGGRQHSA-N 303.322 -0.234 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cnon2)C1 938170460 HXHQRRNRKFNGHM-AAEUAGOBSA-N 317.349 -0.502 30 20 DBED NC(=O)c1c[nH]c(C(=O)N[C@H]2CCN(C(=O)C#CC3CC3)C2)c1 938541127 VSAXYLRPLUQBOR-LBPRGKRZSA-N 314.345 -0.142 30 20 DBED C[C@@H](C#N)C(=O)N1CCCC[C@@H](NC(=O)Cn2nccn2)C1 943273602 PPDXKNFYVNCCLO-NWDGAFQWSA-N 304.354 -0.065 30 20 DBED N#Cc1ccc(C(=O)N2C[C@H]3C[C@H]2[C@@H]3NC(=O)c2cnn[nH]2)[nH]1 947489645 IWVVBJSJRQJGHH-VSYUYLJXSA-N 311.305 -0.353 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(NC(=O)[C@@]2(C)CCNC2=O)CC1 948095921 CQGSWZKHHBUWQE-BONVTDFDSA-N 306.366 -0.221 30 20 DBED C#CCN1CCOC2(CCN(C(=O)[C@H]3CCNC3=O)CC2)C1 949429679 BMWJHIIDJYYIIF-ZDUSSCGKSA-N 305.378 -0.551 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]1CNC(=O)c1cc2n(n1)CCO2 950596126 RGKQLXKKEDLVMB-VHSXEESVSA-N 303.322 -0.234 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)CC(C)(C)O 950755358 KCNDPZIRJLPRKC-KGLIPLIRSA-N 321.421 -0.038 30 20 DBED C[C@@H]1C[C@@H](NC(=O)Cn2cnnn2)CCN1C(=O)C#CC1CC1 955674278 KZUDKCDGWMYFQD-YPMHNXCESA-N 316.365 -0.418 30 20 DBED C#CCCN1C[C@@H](O)[C@@H](CNC(=O)c2nnn(C(C)(C)C)n2)C1 958077358 TVXZKFOPKFVCMF-NWDGAFQWSA-N 320.397 -0.526 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2c(NC(C)=O)c[nH]c2C)C1 958196275 SQFHCWOSIZNDNE-OCCSQVGLSA-N 318.377 -0.063 30 20 DBED CN(C)c1ccncc1C(=O)NC[C@@H]1CN(CC#N)C[C@H]1O 958597145 BNHQTITYKBTNQA-BXUZGUMPSA-N 303.366 -0.306 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@@H](CNC(=O)c2ccc(=O)n(C)n2)C1 958650523 XGPUNIODIOJRRT-GXTWGEPZSA-N 320.393 -0.231 30 20 DBED C#CCCN1C[C@H](CNC(=O)C2CCN(C(N)=O)CC2)[C@@H](O)C1 958657728 NFZQOYJKHVCUGD-KBPBESRZSA-N 322.409 -0.791 30 20 DBED Cc1ocnc1C(=O)N(C)[C@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1O 958690131 FOIWCAULKBQUTI-MIMYLULJSA-N 306.322 -0.214 30 20 DBED Cc1ccnn1CC(=O)N(C)[C@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1O 958848232 PLAKCWOKQGZDQZ-WXHSDQCUSA-N 319.365 -0.619 30 20 DBED Cn1nnc(C(=O)N2CCC[C@H]([C@@H]3CCN(CC#N)C3)C2)n1 961222744 ZGRQIQHGAYPAFO-NWDGAFQWSA-N 303.370 -0.092 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2[C@@H]3CN([C@@H]4CCN(C)C4=O)C[C@@H]32)cn1 962327473 SRPRXVDSYRKJPW-QXSJWSMHSA-N 324.384 -0.046 30 20 DBED Cc1ncc(C(=O)NC[C@@H]2COCCN2C(=O)[C@H](C)C#N)n1C 964307241 BTKOAQPJVIXWJO-ZYHUDNBSSA-N 319.365 -0.155 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnnn1C 968940209 RBWHBHPCEIJDFQ-GARJFASQSA-N 302.338 -0.210 30 20 DBED C[C@@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)[C@H]1CCNC1=O)C2 969812221 VSBFANXBHANFCW-BJDJZHNGSA-N 304.350 -0.516 30 20 DBED C#CCCN1C[C@H]2CC[C@H]1CN2C(=O)C[C@@H]1CC(=O)NC1=O 972184490 XKIKYOFPCXOGDN-RWMBFGLXSA-N 303.362 -0.262 30 20 DBED CC#CCN1CCO[C@]2(CCN(C(=O)Cc3n[nH]c(C)n3)C2)C1 972381356 MICYOAQMVRASDJ-MRXNPFEDSA-N 317.393 -0.018 30 20 DBED N#CCN1CCO[C@]2(CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)C1 972553437 FFXKTCLTIQLQFL-DVOMOZLQSA-N 320.393 -0.285 30 20 DBED C#CCN1C[C@@H](NC(=O)Cn2ccc(O)nc2=O)C(C)(C)C1 974785244 UNLHGTLNBKTUEN-LLVKDONJSA-N 304.350 -0.591 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)c3cn(C)ccc3=O)[C@H]2C1 976894841 BAVDXECFNIUASA-PUHVVEEASA-N 314.345 -0.268 30 20 DBED C=CCN1C[C@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C(C)(C)C1 977600862 HGRSJQAQIOBUGH-QWRGUYRKSA-N 301.412 -0.309 30 20 DBED N#Cc1c[nH]c(C(=O)N2C[C@@H]3[C@@H](CC[C@H]3NC(=O)C(N)=O)C2)c1 979768630 FLPSSEYUHPUSMT-HBNTYKKESA-N 315.333 -0.662 30 20 DBED C#CCN1CCC(C(=O)N2CC[C@H](N(C)CC(N)=O)C2)CC1 980477393 GKYICWIAPROALA-AWEZNQCLSA-N 306.410 -0.650 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](NC(=O)c2c[nH]c(C(N)=O)c2)[C@H]1C 988119967 AURIGHVHXHLBQD-KKZNHRDASA-N 317.349 -0.008 30 20 DBED C#CCN[C@@H]1C[C@@H](C)N(C(=O)Cn2nc3ccccn3c2=O)C1 989258218 GSHQXKSYFVYLNH-CHWSQXEVSA-N 313.361 -0.292 30 20 DBED Cc1cc(=O)c(C(=O)NC2CN(C(=O)[C@@H](C)C#N)C2)cn1C 994044198 VHSJARQNBCHBAH-VIFPVBQESA-N 302.334 -0.206 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN(C(=O)C2=COCCO2)C1 994753262 XMZOJMCBEUPTHT-ZDUSSCGKSA-N 319.361 -0.701 30 20 DBED C#Cc1cncc(C(=O)NC2CN(C(=O)Cc3cnc[nH]3)C2)c1 999320209 QMZSOULPDJFWQZ-UHFFFAOYSA-N 309.329 -0.031 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)c2cn(CC)nn2)C1 1000009943 TXQLQJIUNTWOEI-YPMHNXCESA-N 319.365 -0.170 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCCN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 1010830498 NISWWVHYLWYJOS-NEPJUHHUSA-N 318.377 -0.124 30 20 DBED COc1cc(C(=O)N2CCN(C(=O)[C@@H](C)C#N)CC2)nn1C 1011749621 XHYRFCVIQCGVKF-JTQLQIEISA-N 305.338 -0.127 30 20 DBED C=C(Cl)CN1CC[C@@H](NC(=O)CN2CCN(C)C(=O)C2)C1 1015014058 LTLRDJFKLYLQOZ-GFCCVEGCSA-N 314.817 -0.297 30 20 DBED C=CCN1CC[C@H](NC(=O)Cn2ncn3nccc3c2=O)C1 1015789655 SZTRIQHXQDIAEJ-NSHDSACASA-N 302.338 -0.733 30 20 DBED C[C@H](C#N)C(=O)N1CC=C(CNC(=O)[C@@H]2CC(=O)N(C)C2)CC1 1017507755 QQVVWCDDOAFEEW-DGCLKSJQSA-N 318.377 -0.101 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](NCCN2CCCS2(=O)=O)C1 1018631387 DTRQZELKUHORDZ-NEPJUHHUSA-N 314.411 -0.628 30 20 DBED C=CCn1cc(C(=O)N[C@H]2C[C@H](NCc3nc(O)n[nH]3)C2)nn1 1020700266 LCGSBAZKLYPEEM-KYZUINATSA-N 318.341 -0.662 30 20 DBED C=C1CC(C)(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3COCCO3)C2)C1 1023098096 GMVLQKLPPFGSPC-JHJVBQTASA-N 324.377 -0.554 30 20 DBED C=C[C@@](C)(CC)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnnn2C)C1 1023566479 CMFIGHSRMDTSNM-HCKVZZMMSA-N 321.381 -0.281 30 20 DBED Cn1nnnc1CN1CC[C@@H](CNC(=O)c2c[nH]c(C#N)c2)C1 1028489175 VJZFNBIVKWAPDO-JTQLQIEISA-N 314.353 -0.338 30 20 DBED C=C(Br)CN1CC(NC(=O)Cn2nccn2)C1 1030375013 YGOGKLOVKHGUDS-UHFFFAOYSA-N 300.160 -0.013 30 20 DBED C#CCN1CCC(C(=O)NCC2CN([C@H](C)C(N)=O)C2)CC1 1032207400 PLNDIXQKJQGFBU-GFCCVEGCSA-N 306.410 -0.747 30 20 DBED C[C@@H]1CCN(C(=O)C(N)=O)C[C@H]1CN=c1cc[nH]cc1C#N 1039890235 YCVQJGILHJNXAM-ZYHUDNBSSA-N 301.350 -0.243 30 20 DBED Cc1nnc(CC(=O)N2CC[C@](O)(CNC(=O)[C@H](C)C#N)C2)o1 1040759608 BQVABRLPVBIPIV-OTYXRUKQSA-N 321.337 -0.840 30 20 DBED CCn1cc(C(=O)N2CC[C@@](O)(CNC(=O)[C@H](C)C#N)C2)cn1 1040763134 NWKOTVKOIZVNFK-IAQYHMDHSA-N 319.365 -0.244 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)CCCOC)C1 1041670628 KOZZJWLYSJDIJB-UHFFFAOYSA-N 312.366 -0.858 30 20 DBED C[C@@H]1CN(c2ncccc2C#N)C[C@H]1NC(=O)[C@H]1CNC(=O)N1 1042461072 DJZYMHZVBPKIPC-YUSALJHKSA-N 314.349 -0.424 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)CC(C)(C)O)C1 1042834350 UCCATENOWYZEKL-NSHDSACASA-N 314.382 -0.572 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CC23CCC3)C1 1043035662 ABHLKHFKJMVIOD-ZDUSSCGKSA-N 320.389 -0.094 30 20 DBED C#CCNC(=O)CC(=O)N1CC(O)(CNC(=O)CCC(=C)C)C1 1043310892 MAXKTHKYGAQXJR-UHFFFAOYSA-N 321.377 -0.828 30 20 DBED Cc1nc[nH]c1C(=O)NCC1(O)CN(C(=O)C#CC(C)C)C1 1043827320 UZIIFAIEVGGIAT-UHFFFAOYSA-N 304.350 -0.319 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)c3cnccn3)C2)nc1 1043835660 YKQVHNVVQFWLBL-OLZOCXBDSA-N 310.317 -0.277 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CN(Cc2nnn(C)n2)C1 1044039181 WEYBKTIGYXIBDZ-JSGCOSHPSA-N 320.397 -0.166 30 20 DBED Cc1cc(C#N)nc(N2C[C@H](O)[C@H](NC(=O)c3cc[nH]c3)C2)n1 1044648836 SJIJFFPZHTWMQB-OLZOCXBDSA-N 312.333 -0.036 30 20 DBED N#CCN1CC[C@H](N2CCN(C(=O)[C@@]34COC[C@@H]3C4)CC2)C1 1046031841 AFBSWBNOTZHYNO-DZKIICNBSA-N 304.394 -0.235 30 20 DBED C#CCCCC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2COCCO2)C[C@@H]1O 1048750143 LZXOQSZSWHSVEY-IHRRRGAJSA-N 324.377 -0.765 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)[C@H]1CCS(=O)(=O)N1)C2 1050758674 MTMVZYHFZOSEOD-GFCCVEGCSA-N 311.407 -0.764 30 20 DBED CC#CCN1CCOC[C@@H]1CNC(=O)[C@H]1COCCN1CC 1050993313 RNBBPMPQQCJCIS-LSDHHAIUSA-N 309.410 -0.453 30 20 DBED C#CCCN1CCOC[C@@H]1CNC(=O)[C@@H]1CN(C(C)=O)CCO1 1051232965 YJHSUKYGGBRXNR-GJZGRUSLSA-N 323.393 -0.926 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)c1cccnc1C(N)=O 1051255820 UCTJOBWFIVLYRN-LLVKDONJSA-N 302.334 -0.756 30 20 DBED C#CCCN1CC2(CC[C@H](CNC(=O)[C@@H]3CN(C)C(=O)N3)O2)C1 1053643111 VCQSMRYFMZBEDS-OLZOCXBDSA-N 320.393 -0.617 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)[C@H]3C[C@H]3C(=O)N(C)C)CO2)C1 1053922624 FGVXVVPBWKMORC-RWMBFGLXSA-N 305.378 -0.697 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)Cn3ccc(C)cc3=O)CO2)C1 1053944002 BESHPQMZDHBKPT-AWEZNQCLSA-N 315.373 -0.251 30 20 DBED C[C@@H]1CN(C(=O)CN2C(=O)CC(C)(C)C2=O)C[C@H]1NCC#N 1054664972 ZIZLWVFZIHQDSS-GHMZBOCLSA-N 306.366 -0.268 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2ccc(=O)n(CCOC)n2)C[C@H]1C 1054879358 IHNUYFKJZJQYHM-TZMCWYRMSA-N 318.377 -0.427 30 20 DBED N#Cc1ccc(N2CCN(C(=O)[C@@H]3CCNC(=O)C3)CC2)nn1 1055752930 CHSAIBBCNGTTRI-LLVKDONJSA-N 314.349 -0.477 30 20 DBED Cc1c[nH]c(C(=O)N2CCC[C@](CO)(NC(=O)[C@@H](C)C#N)C2)n1 1056097944 XOLQSINHEWYCFK-BONVTDFDSA-N 319.365 -0.039 30 20 DBED CN(c1cnc(C#N)cn1)[C@@H]1CCN(C(=O)c2ncn(C)n2)C1 1056909872 FJNXKHDNLNPJOH-LLVKDONJSA-N 312.337 -0.172 30 20 DBED C=C[C@@](C)(O)CC(=O)N(CCO)CCNC(=O)c1cnn(C)c1 1057450760 YOCDNTZDDBTNQA-OAHLLOKOSA-N 324.381 -0.702 30 20 DBED C=C[C@@](C)(CC)C(=O)NCCN(CCO)C(=O)Cn1ncnn1 1057673476 DJUKYFYXWOXQKC-AWEZNQCLSA-N 324.385 -0.788 30 20 DBED Cn1cnc(C(=O)NC2CCN(c3cnc(C#N)cn3)CC2)n1 1057866008 OBYSUERSNFTBAH-UHFFFAOYSA-N 312.337 -0.124 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)Cc1ccc(F)cn1 1057939776 FESPJCFMOOPOIO-LLVKDONJSA-N 322.340 -0.140 30 20 DBED Cc1nnccc1C(=O)N(CCO)CCNC(=O)[C@H](C)C#N 1058201926 JXXSCDJOLXVDCA-SNVBAGLBSA-N 305.338 -0.505 30 20 DBED C=CC(C)(C)C(=O)N(CCO)CCNC(=O)[C@@H](COC)OC 1058303605 DASGXZGYYIEYES-GFCCVEGCSA-N 316.398 -0.203 30 20 DBED N#Cc1ccc(N2C[C@@H]3CC[C@H](C2)N3C(=O)Cn2cnnn2)nc1 1058728822 KMKKTVYNVUPDRP-BETUJISGSA-N 324.348 -0.180 30 20 DBED N#Cc1cncc(N[C@H]2CCN(C(=O)[C@H]3CCC(=O)N3)C2)n1 1058848490 GXHJTJMAPHHPLW-GXSJLCMTSA-N 300.322 -0.360 30 20 DBED CC(C)(C(N)=O)C(=O)N1CC[C@H](Nc2cncc(C#N)n2)C1 1058988476 LMXMEIAHWXKPLA-VIFPVBQESA-N 302.338 -0.127 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1 1060826903 IYQHFZXLQLRZBR-BXUZGUMPSA-N 313.361 -0.086 30 20 DBED C=CCCO[C@@H](C)C(=O)N1CC2(CCN(C(=O)C(N)=O)CC2)C1 1060935608 HRLUTQVVXNZRSR-LBPRGKRZSA-N 323.393 -0.096 30 20 DBED C#CCNC(=O)CC(=O)N1CC2(CCN(C(=O)COC)CC2)C1 1060976236 MVNZJWGBBAQVBX-UHFFFAOYSA-N 321.377 -0.777 30 20 DBED N#Cc1nccc(N2CC[C@H](CNC(=O)[C@@H]3COCCO3)C2)n1 1061526075 VNYGPKLDVNLDFY-NEPJUHHUSA-N 317.349 -0.294 30 20 DBED N#Cc1nccc(N2CC[C@@H](CNC(=O)[C@@H]3CCNC3=O)C2)n1 1061693956 BUDRVWQQBZYDFE-WDEREUQCSA-N 314.349 -0.573 30 20 DBED C=CCOCC(=O)N1CCOC[C@@H]1CNC(=O)c1[nH]nnc1C 1061745724 GPBQYDPCEYWKNY-NSHDSACASA-N 323.353 -0.727 30 20 DBED CC(C)C#CC(=O)N1CCOC[C@@H]1CNC(=O)c1cnon1 1061806735 UXOSLAYLEWJUSA-NSHDSACASA-N 306.322 -0.314 30 20 DBED N#CCSCC(=O)NCC1(NC(=O)[C@@H]2CCNC2=O)CCC1 1062579456 NBVYURHJYIAPBP-SNVBAGLBSA-N 324.406 -0.466 30 20 DBED CN(C(=O)[C@H]1CNC(=O)N1)[C@@H]1CCN(c2ccncc2C#N)C1 1063024400 BHAYSGKWPATDPX-VXGBXAGGSA-N 314.349 -0.328 30 20 DBED N#Cc1cncc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)Cn2cccn2)n1 1064215500 AJCHTUBSNFSUHF-GMXABZIVSA-N 309.333 -0.062 30 20 DBED N#Cc1cncc(N2CC[C@@]3(CCN(C(=O)CC(N)=O)C3)C2)n1 1064610444 WXDQIHPJWLZKQN-OAHLLOKOSA-N 314.349 -0.348 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CN(C(=O)C2=COCCO2)CCO1 1064801376 QEDCDHBRURYLPS-GHMZBOCLSA-N 309.322 -0.622 30 20 DBED C#CCCCC(=O)N1CCO[C@@H](CNC(=O)CNC(=O)CC)C1 1065092867 NJMZIAOMTPKHTL-ZDUSSCGKSA-N 323.393 -0.340 30 20 DBED C=CCCOCC(=O)N1CCO[C@H](CNC(=O)c2nc[nH]n2)C1 1065277664 AHVUSXRPIZNZAD-LLVKDONJSA-N 323.353 -0.645 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](CNC(=O)c3ncccn3)C2)nc1 1067677527 GALMARIGFBFUQK-OLZOCXBDSA-N 324.344 -0.030 30 20 DBED N#Cc1cnccc1N1C[C@@H](O)[C@H](CNC(=O)c2cccnn2)C1 1067678855 VZAWADXAPNALNR-IUODEOHRSA-N 324.344 -0.030 30 20 DBED C=C[C@@](C)(O)CC(=O)NC1(CNC(=O)COC)CCOCC1 1070093292 MSZOYYUXAUWEDH-CQSZACIVSA-N 314.382 -0.259 30 20 DBED C#CCN[C@@H]1CN(C(=O)C[C@@H]2CCOC2)C[C@@H]1n1ccnn1 1070172055 OGQMQYUVCFWKER-MJBXVCDLSA-N 303.366 -0.321 30 20 DBED Cc1nocc1C(=O)N1C[C@H](n2ccnn2)[C@H](NCC#N)C1 1070264599 VKPMBNYGKHXHSA-NEPJUHHUSA-N 301.310 -0.247 30 20 DBED CC#CCN1CC[C@]2(C1)CN(C(=O)Cn1ncnn1)C[C@@H](C)O2 1071168807 HWXZNFNHMYKNDC-HIFRSBDPSA-N 318.381 -0.612 30 20 DBED C=CCCOCC(=O)N[C@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1C 1072522667 XIOBXLKDUVHRCT-QWRGUYRKSA-N 307.354 -0.026 30 20 DBED C=CCOCC(=O)NC1(C)CCN(C(=O)CNC(N)=O)CC1 1072862480 GQUZVJWPCDCNSZ-UHFFFAOYSA-N 312.370 -0.645 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)c2cnc(N(C)C)cn2)C1 1073603993 TZXRSCMTTSWSCG-CYBMUJFWSA-N 317.393 -0.004 30 20 DBED CN1CC[C@@H](C(=O)NC[C@@H]2CN(CC#N)CCCO2)CC1=O 1073665038 SMVCWCKACRYSAG-CHWSQXEVSA-N 308.382 -0.415 30 20 DBED CCCN1C[C@H](C(=O)NC[C@@H]2CN(CC#N)CCCO2)CC1=O 1073794482 JNAUTWURTVFJBN-ZIAGYGMSSA-N 322.409 -0.024 30 20 DBED CC(=O)NCC(=O)N1CC[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2CC1 1074278629 WCQSBOUFCUKAQC-BNOWGMLFSA-N 320.393 -0.021 30 20 DBED C=CCCCC(=O)NCC1(O)CCN(C(=O)CC(N)=O)CC1 1074525981 GUYRIHFNEZVQPM-UHFFFAOYSA-N 311.382 -0.312 30 20 DBED C#CCN[C@H]1CCO[C@H](C2CCN(C(=O)CC(N)=O)CC2)C1 1075388042 GRKXICYTCNHLRG-KBPBESRZSA-N 307.394 -0.129 30 20 DBED C=CCN1CC[C@H](N2C[C@@H](O)[C@H](NC(=O)c3ccon3)C2)C1=O 1076779139 FDDFTWCNESLCSV-FRRDWIJNSA-N 320.349 -0.764 30 20 DBED CCC[C@@H](NC(N)=O)C(=O)NCC[C@H](C)NC(=O)[C@@H](C)C#N 1077673748 PVSZMUIIHHUUKV-GARJFASQSA-N 311.386 -0.006 30 20 DBED C#CCNC(=O)CC(=O)N(CC)C1CN(C(=O)[C@H](F)CC)C1 1079645508 GQJVEBFCPIZGGO-GFCCVEGCSA-N 311.357 -0.067 30 20 DBED C[C@@H](C#N)C(=O)NC1(CO)CCN(C(=O)[C@H]2CCN(C)C2)CC1 1080981916 OTUMIFZHXBCDMP-STQMWFEESA-N 322.409 -0.433 30 20 DBED C#CCOCCC(=O)N1C[C@H](O)[C@H](CNC(=O)C(C)(C)F)C1 1081176059 TXKKSYFSSIQSIX-NEPJUHHUSA-N 314.357 -0.290 30 20 DBED C=CCCC(=O)N1C[C@H](CNC(=O)c2n[nH]c(C)c2O)[C@@H](O)C1 1081413369 GMIBCOIKBNREID-QWRGUYRKSA-N 322.365 -0.061 30 20 DBED Cc1ncoc1C(=O)N1C[C@H](CNC(=O)C#CC2CC2)[C@@H](O)C1 1081470802 GBIQYRZBAXHJFG-STQMWFEESA-N 317.345 -0.054 30 20 DBED C#CCCCC(=O)N1CCCC[C@H]1CNC(=O)Cn1cnnn1 1082037325 TVPGFMOVXOCIKH-ZDUSSCGKSA-N 318.381 -0.026 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@@H]2CCCCN(C)C2=O)[C@H](OC)C1 1082323702 ILRYKCCJLACBKG-BFHYXJOUSA-N 307.394 -0.307 30 20 DBED C=C(C)CN1C[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)[C@H](OC)C1 1082324011 XXBKHLQGYSVVSA-VXGBXAGGSA-N 324.381 -0.728 30 20 DBED C=CCN1C[C@@H](NC(=O)[C@@H]2COCCN2C(C)=O)[C@H](OC)C1 1082377076 BOCNGSRGZFPZJZ-HZSPNIEDSA-N 311.382 -0.765 30 20 DBED C=C(C)CCN1C[C@@H](NC(=O)C[C@H]2CC(=O)NC2=O)[C@H](OC)C1 1082401326 KPZZJBPFMNRYSQ-YNEHKIRRSA-N 323.393 -0.179 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCCCN2C(N)=O)C1 1083938724 LBAWQMWFFQBUDD-AGIUHOORSA-N 310.398 -0.343 30 20 DBED CN(C[C@H]1CCN1CC#N)C(=O)[C@H]1CCc2nnc(O)n2C1 1085680952 PXUVKBHWDKYSSQ-WDEREUQCSA-N 304.354 -0.398 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CCN(CCO)C[C@H]2C1 1087998149 UAWANAMAJWYCOC-PMPSAXMXSA-N 305.422 -0.143 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2cn3c(n2)COCC3)[C@H](O)C1 1090360062 IZGOWHAYIQKDPH-GXTWGEPZSA-N 318.377 -0.398 30 20 DBED CCO[C@@H](C)C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1O 1090392321 TYDPXIUFKIVQCS-MVWJERBFSA-N 305.338 -0.561 30 20 DBED COCC(=O)NC[C@]1(C)CN(c2ccc(C#N)nn2)CCO1 1092719300 LREKXLJLEJDQDN-CQSZACIVSA-N 305.338 -0.294 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1CNC(=O)[C@@H]1Cc2cncn2C(=O)N1 1092848450 DMHWXIDZKAMVDV-WZRBSPASSA-N 316.365 -0.427 30 20 DBED N#Cc1cncc(N2C[C@H]3[C@H](NC(=O)C4(C(N)=O)CC4)[C@H]3C2)n1 1093355972 IRHDVDSSTQGEHO-IAZYJMLFSA-N 312.333 -0.835 30 20 DBED CN(C)C(=O)CC(=O)N[C@H]1[C@@H]2CN(c3ccc(C#N)nc3)C[C@@H]21 1093357609 GIRHVZIRSUDELS-VIKVFOODSA-N 313.361 -0.018 30 20 DBED N#Cc1cncc(NCCNC(=O)c2nccnc2C(N)=O)n1 1093625622 OPJHMTKRZLPFLL-UHFFFAOYSA-N 312.293 -0.921 30 20 DBED N#Cc1ccc(NCCNC(=O)C[C@H]2CC(=O)NC2=O)cn1 1093717553 NWHCRSDDUAZZRM-VIFPVBQESA-N 301.306 -0.466 30 20 DBED C#CCN1CC(n2cc(CNC(=O)[C@@H]3C[C@H](C)CO3)nn2)C1 1094306408 DCFAACIHGZCCCJ-FZMZJTMJSA-N 303.366 -0.191 30 20 DBED Cc1nnsc1C(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1 1094704442 VHZQGSVIEYJOAU-VIFPVBQESA-N 320.378 -0.615 30 20 DBED C#Cc1cncc(C(=O)N[C@H]2CC(=O)N(C3CN(CC#N)C3)C2)c1 1094783171 NJPHOGNUUYYXQN-AWEZNQCLSA-N 323.356 -0.399 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@@H](Nc2nccn3nnnc23)C1 1095066722 HNRGDSFBEPSCAD-GHMZBOCLSA-N 315.337 -0.430 30 20 DBED Cc1cc(N(C)[C@H]2CCN(C(=O)CNC(N)=O)C2)c(C#N)cn1 1095091499 MWCAAAWOFSBLJI-LBPRGKRZSA-N 316.365 -0.033 30 20 DBED C#CCNC(=O)CC(=O)NC1CCN(c2ncccn2)CC1 1095412356 QMFPYBKWGPUVFC-UHFFFAOYSA-N 301.350 -0.299 30 20 DBED CCc1nc(C#N)cc(N(C)CCCNC(=O)CNC(N)=O)n1 1095468993 MZPQXVYLJZXDOC-UHFFFAOYSA-N 319.369 -0.479 30 20 DBED CN(C(=O)CC(N)=O)C1CCN(c2cnc(C#N)cn2)CC1 1096099627 UDKLMISEMAASAQ-UHFFFAOYSA-N 302.338 -0.349 30 20 DBED C[C@H](NC(N)=O)C(=O)N[C@@H]1CCN(c2ccnc(C#N)n2)C1 1096355119 DNXIWFXKEOFJGI-DTWKUNHWSA-N 303.326 -0.900 30 20 DBED CS(=O)(=O)CCC(=O)N1CC[C@H](Nc2cnc(C#N)cn2)C1 1096982969 RVYBSAYEGUEXFB-JTQLQIEISA-N 323.378 -0.204 30 20 DBED C[C@H](CNC(=O)[C@@H]1CN(C)CCO1)Nc1ccc(C#N)nn1 1097768682 QCOFIJWGIUOWES-PWSUYJOCSA-N 304.354 -0.405 30 20 DBED C[C@@H](CNC(=O)CCn1cnnn1)N=c1cc[nH]cc1C#N 1098011708 YXJRGHKHQVCIMW-JTQLQIEISA-N 300.326 -0.631 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H]1CCN(C)S1(=O)=O 1098017014 PDZNXTFHRAKRIZ-FVCCEPFGSA-N 311.407 -0.625 30 20 DBED COCC#CCN(CCO)C1CCN(C(=O)c2ncc[nH]2)CC1 1098361599 HQGGFMNSNLJLJY-UHFFFAOYSA-N 320.393 -0.042 30 20 DBED CC#CCNCc1cn([C@H]2CCN(C(=O)CC(N)=O)C2)nn1 1098639925 ARTONWFFPLZATJ-LBPRGKRZSA-N 304.354 -0.960 30 20 DBED C[C@@H](CCNC(=O)[C@@H]1CNC(=O)N1)Nc1ccc(C#N)nn1 1099682403 HEEJLCPTWVTGHY-WPRPVWTQSA-N 303.326 -0.664 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(Cc2cnn(C)c2)C[C@H]1O 1099741337 RKUIUVSJBUCDEH-ZIAGYGMSSA-N 308.382 -0.326 30 20 DBED COCC#CCN1CC[C@H](NC(=O)Cc2cccnc2)[C@H](O)C1 1099774453 AURJDYVNLMEQLP-JKSUJKDBSA-N 317.389 -0.175 30 20 DBED C=CCN1CC[C@@H](NC(=O)CNC(=O)c2cccnc2)[C@H](O)C1 1100010500 IEKGAAFOPQZRRP-ZIAGYGMSSA-N 318.377 -0.451 30 20 DBED CN(CCNC(=O)CN1CCOCC1)c1ccc(C#N)cn1 1100065291 BJEFFUUHZAKPOT-UHFFFAOYSA-N 303.366 -0.162 30 20 DBED CCc1nc[nH]c1C(=O)N[C@H]1CCN(CC#CCOC)C[C@H]1O 1100092021 JFVJCQRGMZMMFL-UONOGXRCSA-N 320.393 -0.213 30 20 DBED C=CCCCN1CC[C@@H](NC(=O)CS(=O)(=O)NC)[C@@H](O)C1 1100117219 FBLXALHPPLQYGC-NEPJUHHUSA-N 319.427 -0.947 30 20 DBED CN(CCNC(=O)[C@]1(C)CCNC1=O)c1ccnc(C#N)n1 1100325670 QRUCYUVRXMXEBA-CQSZACIVSA-N 302.338 -0.573 30 20 DBED C=CCCNC1CC(CNC(=O)CCS(=O)(=O)NC)C1 1100327665 SDCQRCJCIZOASY-UHFFFAOYSA-N 303.428 -0.014 30 20 DBED C=CCNC1CC(CNC(=O)C2(n3cnnn3)CCOCC2)C1 1100747707 ZTJZHYGPIPQPRG-UHFFFAOYSA-N 320.397 -0.151 30 20 DBED CC1(C(=O)NCC2CC(NCC(=O)NCC#N)C2)CCOCC1 1100762291 NECONTRTHSMGBR-UHFFFAOYSA-N 322.409 -0.073 30 20 DBED C#CCNC1CC(CNC(=O)CN2C(=O)NC(C)(C)C2=O)C1 1100943102 YEUULYDCEIPBNS-UHFFFAOYSA-N 306.366 -0.566 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)CNC(N)=O)c3nccn32)C1 1101607827 ZCZZOEFOXKLZBN-LLVKDONJSA-N 316.365 -0.853 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@@H]1CN(C[C@H](C)O)C[C@H]1C 1102891432 VKXPIIODVUPNAG-HZSPNIEDSA-N 309.410 -0.419 30 20 DBED C[C@](CNc1nccnc1C#N)(NC(=O)CC(N)=O)C1CC1 1103506976 MGFZKQXOGOMOOR-CQSZACIVSA-N 302.338 -0.080 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)c1cnnn1C 1103961425 ANSXSEPPJUUEOM-VIFPVBQESA-N 300.326 -0.623 30 20 DBED C[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1CCNCc1nc(=O)n(C)[nH]1 1104004583 FQFSYIUEKIFTLR-IJLUTSLNSA-N 320.397 -0.158 30 20 DBED C[C@H](CNC(=O)[C@@H]1CC(=O)N(C)C1)CNc1cncc(C#N)n1 1104254341 FIRMBXHFUFDPIM-WDEREUQCSA-N 316.365 -0.009 30 20 DBED CN(C)CCC(=O)NC[C@@H]1CN(c2ccc(C#N)nn2)CCO1 1104346533 NAAYUTPFGIJFLQ-CYBMUJFWSA-N 318.381 -0.379 30 20 DBED COCCNCc1cn(C2CN(C(=O)CSCC#N)C2)nn1 1105169952 QDEXIRHIJOYZGD-UHFFFAOYSA-N 324.410 -0.346 30 20 DBED CC#CCNCc1cn(C2CN(C(=O)[C@@H]3CCOC3)C2)nn1 1105181933 RJIKZPQMOFPUAI-GFCCVEGCSA-N 303.366 -0.189 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H](O)CNC(=O)C1=COCCO1 1105714652 FFUCZVKTZDTKGY-NSHDSACASA-N 304.306 -0.848 30 20 DBED C=CCOCC(=O)NC[C@H](O)CN=c1cc(C)[nH]cc1C#N 1105748271 SQUQNNUVLZTNJF-CYBMUJFWSA-N 304.350 -0.225 30 20 DBED Cc1[nH]nc(C(=O)NC[C@@H](O)CNc2nccnc2C#N)c1O 1105819747 KRAAFUOMVGPXDK-QMMMGPOBSA-N 317.309 -0.712 30 20 DBED CCCN(C)CC(=O)NC[C@H](O)CNc1ccc(C#N)nn1 1105909298 GPLGHCNHKQRCTB-GFCCVEGCSA-N 306.370 -0.421 30 20 DBED Cc1ccc(C#N)c(NC[C@@H](O)CNC(=O)C(C)(C)C(N)=O)n1 1105997382 QGTJGPWALLMZSX-LLVKDONJSA-N 319.365 -0.338 30 20 DBED C=CC(C)(C)C(=O)NC[C@H](O)CNc1ncnc2c1nnn2C 1106052101 SRJORLDLJHMLIE-SECBINFHSA-N 319.369 -0.141 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H](O)CNC(=O)c1csnn1 1106054315 NLTNBBZILWEBLM-VIFPVBQESA-N 304.335 -0.571 30 20 DBED Cc1cc(=NC[C@@H](O)CNC(=O)[C@@H](C)CC(N)=O)c(C#N)c[nH]1 1106060563 XKROLVBXBGATFH-JOYOIKCWSA-N 319.365 -0.916 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)C1CS(=O)(=O)C1 1106849738 OIDDOBXZEPFMNF-UHFFFAOYSA-N 323.378 -0.925 30 20 DBED N#Cc1cccnc1NC/C=C\CNC(=O)[C@@H]1CNC(=O)N1 1107489300 BCNZBSBMRGFXGZ-BVBSBALXSA-N 300.322 -0.281 30 20 DBED CNC(=O)NCC(=O)NC/C=C\CNc1nc(C)cc(C#N)n1 1107572145 STCJNLRHEDQIEV-ARJAWSKDSA-N 317.353 -0.330 30 20 DBED C[C@H](CNc1cnc(C#N)cn1)NC(=O)CN1CCOCC1 1107710835 HNAXSNRUSKAQGO-LLVKDONJSA-N 304.354 -0.403 30 20 DBED COCC#CCN1CCO[C@](C)(CNC(=O)[C@H](O)C(C)C)C1 1107916815 OJLRPVQUWWBXFW-GDBMZVCRSA-N 312.410 -0.140 30 20 DBED C=CCN1CCO[C@](C)(CNC(=O)CCNC(=O)COC)C1 1107984177 VLFMHGUJVVHNMG-OAHLLOKOSA-N 313.398 -0.468 30 20 DBED C[C@]1(CNC(=O)C[C@@H]2CCC(=O)NC2)CN(CC#N)CCO1 1107994487 PGRWHWREUGCDKX-WFASDCNBSA-N 308.382 -0.367 30 20 DBED C=CCn1cc(C(=O)NC[C@@]2(C)CN(CCO)CCO2)nn1 1108266611 OSRRBFZUBRMMNA-AWEZNQCLSA-N 309.370 -0.723 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CNc1nccc(OC)n1 1108321256 POBMJAGUIZINGK-JTQLQIEISA-N 305.338 -0.459 30 20 DBED C=C(Cl)CN1CC(N2C[C@@H](NC(=O)CC(N)=O)CC2=O)C1 1108525363 LIBWPYNXGCJVKS-VIFPVBQESA-N 314.773 -0.984 30 20 DBED C[C@@H](CC(=O)N[C@@H](C)CNc1cnc(C#N)cn1)NC(N)=O 1108528638 OYKWPSLEGXVPMC-IUCAKERBSA-N 305.342 -0.288 30 20 DBED C#CCN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCCS(N)(=O)=O)C2 1108752198 ALSUFRXNVKPWNP-AVGNSLFASA-N 313.423 -0.343 30 20 DBED CNC(=O)NCCC(=O)N[C@@H](C)CN(C)c1ccnc(C#N)n1 1108935076 PRLURPDLQWMFIM-JTQLQIEISA-N 319.369 -0.392 30 20 DBED CCC(=O)NCC(=O)N[C@H]1[C@H]2C[C@H]1N(c1nccnc1C#N)C2 1109702818 QIVIKMACFBBGEC-PXWWUCIGSA-N 314.349 -0.432 30 20 DBED C[C@@H]1C[C@H](N=c2cc[nH]cc2C#N)CCN1C(=O)CNC(N)=O 1110506810 CBVRTASBIYILFM-ZYHUDNBSSA-N 316.365 -0.165 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H](C)OCC#C 1110546366 VELZELZLWMMOQK-YJNKXOJESA-N 317.389 -0.504 30 20 DBED Cc1nsc(N2CCOC[C@H]2CNC(=O)CC(N)=O)c1C#N 1111679454 LXQCHKCTCGJIHE-SECBINFHSA-N 323.378 -0.480 30 20 DBED N#Cc1ccc(NC2(CNC(=O)Cn3cnnn3)CCC2)nn1 1111754902 YEKURHMWAZSZOL-UHFFFAOYSA-N 313.325 -0.514 30 20 DBED C[C@H]1CN(C(=O)CNC(N)=O)C[C@H]1Nc1nccnc1C#N 1112306693 JZMJNCBHWUUWAY-WCBMZHEXSA-N 303.326 -0.725 30 20 DBED N#Cc1cnc(N2C[C@@H](O)[C@@H](CNC(=O)C(N)=O)C2)c(Cl)c1 1112751623 RDVWVKDFDPFAEU-WCBMZHEXSA-N 323.740 -0.995 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)CCc2ccoc2)CC1 1112761987 UNZXWCPBVBYNAA-UHFFFAOYSA-N 304.350 -0.004 30 20 DBED C#CCNC(=O)CC(=O)N1CCN(C[C@H]2CCCCO2)CC1 1112779410 YQORPKRTVPBSBE-CQSZACIVSA-N 307.394 -0.161 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)Cn3cccn3)[C@H]2C1 1113857312 KRSSUNQVKOEXNI-RYUDHWBXSA-N 303.366 -0.768 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)CCCC(C)=O)[C@H]2C1 1113863886 CLBXLPATLOEQSZ-NYTXWWLZSA-N 319.405 -0.070 30 20 DBED C=CCNC(=O)NC(=O)CN1C[C@@H]2C(NC(=O)C(C)C)[C@H]2C1 1113863974 DUGJQLFBRNEGLT-QWRGUYRKSA-N 308.382 -0.299 30 20 DBED C[C@H](C#N)C(=O)NC1[C@H]2CN(CC(=O)Nc3nncs3)C[C@H]12 1114066443 CJEIHALSLHZRLI-VGMNWLOBSA-N 320.378 -0.317 30 20 DBED C#CCCCC(=O)N[C@H]1[C@@H]2CN([C@H]3CCC(=O)NC3=O)C[C@@H]21 1114199557 WSMWJCPACKASIH-OZTPJHRESA-N 303.362 -0.359 30 20 DBED CCCC[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)CNC(N)=O 1114213862 ODFAGPVHKXRWQV-SNVBAGLBSA-N 319.369 -0.475 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)c3ccn(C)c(=O)c3)[C@@H]2C1 1114474994 RQVXLEYBUGDONH-ZIAGYGMSSA-N 315.373 -0.305 30 20 DBED COCC#CCN1C[C@@H]2C(NC(=O)c3cn(C)c(=O)cn3)[C@H]2C1 1114589982 LWWDBJZJVIYFFN-RYUDHWBXSA-N 316.361 -0.910 30 20 DBED N#Cc1c(F)cccc1N1C[C@H]2[C@H](CNC(=O)C(N)=O)[C@H]2C1 1114619646 ADTHPRQPAQUJMZ-RTCCRHLQSA-N 302.309 -0.019 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)[C@@H]3C[C@H]3C3CC3)[C@H]2C1 1114952659 ZAQLGTFACNJMKY-CRWXNKLISA-N 301.390 -0.172 30 20 DBED C#CCCCNC(=O)C(=O)N1CCc2nn(C)c(=O)cc2C1 1117383138 YJCSVERJEFBJOO-UHFFFAOYSA-N 302.334 -0.805 30 20 DBED C=CCN(C(=O)C(=O)NCCN1CCNCC1)[C@@H](C)COC 1118485831 GDXBPZHFYXZHBP-ZDUSSCGKSA-N 312.414 -0.943 30 20 DBED C=CCn1c(CCN(C)S(N)(=O)=O)nnc1N(CC)CC 1121682072 JQVOOGBLFWDNBS-UHFFFAOYSA-N 316.431 -0.012 30 20 DBED COc1nc(C(=O)NC[C@H](CO)Nc2nccnc2C#N)co1 1122286175 MESJKKITFDUUID-MRVPVSSYSA-N 318.293 -0.452 30 20 DBED C[C@H]1[C@H](N=c2cc[nH]c(C#N)n2)CCN1C(=O)CCNC(N)=O 1123011912 FSQPTZWIXMZFSG-VHSXEESVSA-N 317.353 -0.770 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)c1cccc(O)n1 1125291059 HQWYBHVJBFTAJE-UHFFFAOYSA-N 319.365 -0.131 30 20 DBED C#CCO[C@@H](C)C(=O)NCCNCCCS(=O)(=O)CC 1127051730 LUOSHUXHNJLKCK-LBPRGKRZSA-N 304.412 -0.445 30 20 DBED N#Cc1cncc(N2CC=C(CNC(=O)CC(N)=O)CC2)n1 1127633382 RIODCYFFYQLHCX-UHFFFAOYSA-N 300.322 -0.524 30 20 DBED C=C(C)CCN1C[C@H](n2ccnn2)[C@H](NC(=O)CNC(C)=O)C1 1128647726 XAOVALOKHUXGGM-KGLIPLIRSA-N 320.397 -0.278 30 20 DBED C#CCN1CC[C@H](c2n[nH]cc2CNC(=O)Cn2cnnn2)C1 1130342537 LQOLEXXDXWGXFB-NSHDSACASA-N 314.353 -0.865 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)[C@H]1CCn2cncc2C1 1130407702 WTOKCMCLWQGTKL-STQMWFEESA-N 319.409 -0.158 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)CCCC(N)=O)C[C@@]3(C1)O2 1131298152 VCXDYMMKDISAFP-XJKCOSOUSA-N 305.378 -0.423 30 20 DBED N#CCNC(=O)CNCCNC(=O)Cc1ccc2c(c1)CCO2 1132073308 IHEZNTBTYWNGNX-UHFFFAOYSA-N 316.361 -0.490 30 20 DBED Cc1cc(C(=O)N[C@H](C)C[C@@H](C)NCC(=O)NCC#N)ncn1 1134095733 XWGKUEIJQYONJN-ZYHUDNBSSA-N 318.381 -0.089 30 20 DBED C=CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)c1cnnn1C 1134244794 QCAINKBRDMBQNV-QWRGUYRKSA-N 308.386 -0.396 30 20 DBED CC#CCN[C@@H](C)C[C@H](C)NC(=O)CN1CCN(C)C(=O)C1 1134787220 JAXIPTJBNYPHAM-KBPBESRZSA-N 308.426 -0.343 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1scnc1COC 1134999479 UXZXQAKNKYFQNE-UHFFFAOYSA-N 312.395 -0.089 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)[C@@H]1[C@H]2COC[C@H]21 1135230517 OLSWQUREPKSAEN-JYKNGBAOSA-N 307.394 -0.499 30 20 DBED CC#CCN[C@@H](C)C[C@H](C)NC(=O)CCn1cc[nH]c(=O)c1=O 1135686228 FCDLJWDIOLYTOU-STQMWFEESA-N 320.393 -0.177 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC2(CN(C(=O)[C@H]3CCCO3)C2)C1 1146934325 RLDXIERCBXTWDK-ZIAGYGMSSA-N 319.405 -0.162 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(Cc2nnn(C)n2)CCCO1 1149431946 NTLDPYZPYQNLTJ-LBPRGKRZSA-N 324.385 -0.880 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN([C@H]2CCCNC2=O)CCCO1 1149693803 CHMCEBDFEVYKHL-GJZGRUSLSA-N 319.405 -0.115 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)C[C@@H]2CCCC(=O)N2)C1 1149960125 NGYFPKLZXKRVTG-KBPBESRZSA-N 307.394 -0.115 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CCc2c[nH]nc2C1 1151729203 DAYXXCMWZOORSA-NEPJUHHUSA-N 319.409 -0.089 30 20 DBED C#CCNC(=O)CNCCNC(=O)Cc1csc(CC)n1 1152310627 HYNSAQNBVBDTSZ-UHFFFAOYSA-N 308.407 -0.297 30 20 DBED CCN(CC#CCOC)[C@H](C)CNC(=O)[C@@]1(C)CNC(=O)C1 1154448642 WAFKJDVPKQZYPK-CZUORRHYSA-N 309.410 -0.011 30 20 DBED C#CCO[C@H](C)C(=O)NCCC1(CNCc2nnnn2C)CC1 1164519662 MZTQADNBYIPYQS-GFCCVEGCSA-N 320.397 -0.376 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)c1ccc(OC)nn1 1170162789 GKAVRXMLRMHKKR-LLVKDONJSA-N 319.365 -0.667 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@H](C)NC(=O)C1CCC1 1177486874 IHYMCKBCNAEGSP-LBPRGKRZSA-N 324.425 -0.311 30 20 DBED C[C@@H](C(=O)NCCCNCC(=O)NCC#N)c1cnn(C)c1 1177672031 HQSGNIYDRBGPNZ-LLVKDONJSA-N 306.370 -0.741 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](NCc2nnc(C)s2)C1 1182134816 YQAVXAGMSMQNTK-LLVKDONJSA-N 321.406 -0.323 30 20 DBED C#CCNC[C@H]1CCN(C(=O)CN2C(=O)CCC2=O)C[C@@H]1C 1185642951 WDNVFLCNYALUCP-QWHCGFSZSA-N 305.378 -0.157 30 20 DBED C=CCNC(=O)CNCc1cn([C@@H]2CCCN(C(C)=O)C2)nn1 1185856603 SKFCKOKTRWZHFM-CQSZACIVSA-N 320.397 -0.147 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)c2cn(CC=C)nn2)C1 1186193412 CFUZBUIAOLDPTQ-GFCCVEGCSA-N 318.381 -0.430 30 20 DBED N#CCNC[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)CC12CCOCC2 1186463929 CHFRRYIDOYKPOB-VXGBXAGGSA-N 321.381 -0.964 30 20 DBED CC[C@@H](OC)C(=O)N1CC[C@H]2CN(CC(=O)NCC#N)C[C@H]21 1187143058 MPQJVVIABAWDCB-YNEHKIRRSA-N 308.382 -0.416 30 20 DBED CCC(=O)N[C@@H](C)C(=O)N1CC[C@H](N(C)CC(=O)NCC#N)C1 1190309577 YVCYXNGWEOVZNU-RYUDHWBXSA-N 323.397 -0.926 30 20 DBED Cc1nccnc1CN1C[C@@H](O)[C@H](NC(=O)CSCC#N)C1 1191149376 PYKHPDQIRJPTMO-CHWSQXEVSA-N 321.406 -0.297 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2cnns2)C[C@H]1O 1192892617 ZQHJPHCNAQGRPW-VXGBXAGGSA-N 310.379 -0.761 30 20 DBED CC#CCN(C)[C@H]1CCN(C(=O)[C@H]2CN(C(C)=O)CCO2)C1 1193786066 DINNGWNYWQADEV-LSDHHAIUSA-N 307.394 -0.210 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)CS(=O)(=O)C2CCCC2)C1 1194190637 BSJXMZUPTVEGFF-CHWSQXEVSA-N 316.423 -0.309 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)C2=COCCO2)CC1 1194713955 IQEBHZRLZLECHC-UHFFFAOYSA-N 309.366 -0.289 30 20 DBED CC1(C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@H]2O)C[C@@H]2C[C@H]2C1 1194893373 RNFLZYLRANMYQW-WUHRBBMRSA-N 320.393 -0.776 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)c2cc(OC)ccn2)C1 1195204379 DOGWRBSIEQYYRO-HUUCEWRRSA-N 319.361 -0.485 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@H](C)OCC#C)CC1 1195791637 HPUSOWWOUQDSBR-AWEZNQCLSA-N 305.378 -0.692 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)c2cccnn2)CC1 1197528470 ZDOHZUZXTOIYQN-UHFFFAOYSA-N 303.366 -0.073 30 20 DBED C=CCNC(=O)[C@@H](C)NC1CCN(C(=O)[C@@H]2CCNC2=O)CC1 1201966240 BZTBKOINEJDJGA-DGCLKSJQSA-N 322.409 -0.606 30 20 DBED N#CCNC[C@@H]1CN(C(=O)Cn2ccccc2=O)CCCO1 1202030933 ZFGFCELBVSHEIH-CYBMUJFWSA-N 304.350 -0.421 30 20 DBED CCN(CC)CC(=O)N1CCC(NCC(=O)NCC#N)CC1 1203006211 WFIGEVXMXRHZLO-UHFFFAOYSA-N 309.414 -0.451 30 20 DBED C#CCNC(=O)CN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)COCC)C2 1203934650 LYZNJMRRMSNTEG-MGPQQGTHSA-N 307.394 -0.259 30 20 DBED C=CCOCCNCC1CCN(C(=O)c2nnn(C)n2)CC1 1205937613 AHULWMGKCZJVGO-UHFFFAOYSA-N 308.386 -0.146 30 20 DBED CN1CC[C@@H](C(=O)N2CCC(CNCC(=O)NCC#N)CC2)C1 1206927818 RTIDPKRXSNENPP-CQSZACIVSA-N 321.425 -0.594 30 20 DBED C[C@H]1CCCN1CC(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1208591508 ZBWMXGRTHNVBQL-HZSPNIEDSA-N 321.425 -0.453 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)CCc2cnn[nH]2)C1 1209688559 DJLYVKJEXSHXLH-ZDUSSCGKSA-N 318.381 -0.933 30 20 DBED CC#CCN[C@H]1CCCN(C(=O)CN2C(=O)NC(=O)C2(C)C)C1 1210476012 RIJBJJOGNNJRAX-LBPRGKRZSA-N 320.393 -0.079 30 20 DBED C#CCN1C[C@@H](NC(=O)CNC(=O)c2ccoc2)[C@H](OC)C1 1212313410 OLIDWLLNAAGEDG-CHWSQXEVSA-N 305.334 -0.542 30 20 DBED C#CCOCCC(=O)N1C[C@@H](N[C@H](C)c2nnnn2C)[C@H](C)C1 1214608693 FYVFTJYFASMECQ-JHJVBQTASA-N 320.397 -0.253 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1C 1215535980 BJWYBMQGHICSSE-RBSFLKMASA-N 320.437 -0.343 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)Cc2ncc[nH]2)C[C@H]1C 1216061829 OUKRJQHIXOUQAI-VXGBXAGGSA-N 303.366 -0.862 30 20 DBED COCC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1ncccn1 1218814850 XVGXSPKTTXQNQR-UONOGXRCSA-N 316.361 -0.348 30 20 DBED Cc1cc(C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@@H]2O)c(C)o1 1219173494 KKQRKKDDCINUMZ-OLZOCXBDSA-N 320.349 -0.689 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2ccc(C)nc2)C1 1219189040 BRKBFZXBQLMOAF-KGLIPLIRSA-N 318.377 -0.533 30 20 DBED COCCOCCN1C[C@H](O)[C@H](NC(=O)CSCC#N)C1 1219216435 LWTVCOGHUPBFEN-NEPJUHHUSA-N 317.411 -0.933 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)c2nccnc2N)C1 1219378669 BSZHXDRKAPPQKW-MNOVXSKESA-N 307.354 -0.964 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(CCCCOC)C[C@@H]1O 1219536548 TYKJJNYLACMWBC-IPYPFGDCSA-N 300.399 -0.099 30 20 DBED CCn1nncc1CN1C[C@H](O)[C@H](NC(=O)C#CC(C)C)C1 1219581446 OFCUKXDMTQUWCJ-KGLIPLIRSA-N 305.382 -0.381 30 20 DBED C=CCn1cccc1C(=O)N[C@@H]1CN(C[C@H](O)COC)C[C@@H]1O 1219806775 NJRVZGKHFTYEPI-GUTXKFCHSA-N 323.393 -0.544 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)C23CCCN2CCC3)C1 1219941868 UUZAOCNEPLZLPA-CABCVRRESA-N 321.421 -0.574 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@H]2CCC2(C)C)C1 1220176168 MEBKLEPLPHJQGF-UPJWGTAASA-N 307.394 -0.667 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@H](C)NC(=O)c2ccco2)C1 1221022634 GOPNRCORYGLYGD-XQQFMLRXSA-N 319.361 -0.418 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2cnn(CC)n2)C[C@@H]1O 1221143524 IAMWUVNRDJRPCR-YUTCNCBUSA-N 323.397 -0.450 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CN(CCc2ccnn2C)C[C@@H]1O 1221145940 QKXHZKZHLFMEEA-CFVMTHIKSA-N 322.409 -0.285 30 20 DBED CC(=O)N[C@@H](CCC(C)C)C(=O)N[C@@H]1CN(CC#N)C[C@@H]1O 1221198652 HIVRRVXGHABTFI-MJBXVCDLSA-N 310.398 -0.388 30 20 DBED COC[C@H](O)CN1CC[C@@H]2CN(C(=O)CSCC#N)[C@@H]2C1 1221289356 NXAZDKHRSONLRQ-JHJVBQTASA-N 313.423 -0.217 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC(NC(=O)c2cn[nH]c2)CC1 1226252498 LAQLXSNUEGHHPL-NSHDSACASA-N 303.366 -0.258 30 20 DBED N#CCNC(=O)CN1CCC(NC(=O)[C@@H]2C[C@H]3C=C[C@H]2O3)CC1 1228053952 MEOUSRYQHXYGFU-MGPQQGTHSA-N 318.377 -0.450 30 20 DBED CO[C@@H](C)CC(=O)NCC[C@@H]1CN(CC#N)CCS1(=O)=O 1230437353 ZICHLWGBEVCBBI-NWDGAFQWSA-N 317.411 -0.460 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)C[C@H]1CCOC1 1231340472 BWIDLBNQSQIZLU-ZIAGYGMSSA-N 307.394 -0.305 30 20 DBED CN1CCN(c2ncc(C=NN3CC(=O)NC3=O)cn2)CC1 1253641546 RSERDENBWAEPBW-UHFFFAOYSA-N 303.326 -0.886 30 20 DBED CC(C)CN1CCO[C@@H](CNC(=O)C(=O)NCCCC#N)C1 1321364286 FYKXUKVWEDJTQQ-ZDUSSCGKSA-N 310.398 -0.121 30 20 DBED N#CC1(NC(=O)CN2CCC(CS(N)(=O)=O)CC2)CCC1 1324492788 WVLRMYNVWIZMDV-UHFFFAOYSA-N 314.411 -0.451 30 20 DBED N#Cc1cc(C(=O)NC[C@@H]2CCC[C@]23NC(=O)NC3=O)c[nH]1 1325022297 BFDKJKKNQCAFBG-XPTSAGLGSA-N 301.306 -0.006 30 20 DBED C=CCN(C(=O)C(=O)N1CCO[C@@H](CC(=O)OC)C1)C1CC1 1325107464 FDNGDIXIHQHWOY-LBPRGKRZSA-N 310.350 -0.046 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CC[C@H](n2cncn2)C1)[C@H]1CCCO1 1327257314 BOVIVYKAMYOAQP-RWMBFGLXSA-N 317.349 -0.652 30 20 DBED CC[C@H](C)NC(=O)CCNC(=O)C(=O)N1CC[C@](O)(CC#N)C1 1328255205 MEBWJEOWKJJGFY-XHDPSFHLSA-N 324.381 -0.716 30 20 DBED C#CC1CCN(C(=O)C(=O)N2C[C@@H](O)C[C@H](C(=O)OC)C2)CC1 1328446128 VYMXHTGNAKKUKL-STQMWFEESA-N 322.361 -0.759 30 20 DBED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)NCCCn1cncn1 1332441818 AJNAZEBUXYGNTO-CHWSQXEVSA-N 321.381 -0.118 30 20 DBED C=CCNC(=O)Cn1nnnc1N1CCC(C2OCCO2)CC1 1334636090 SLDKNLONNOPOJN-UHFFFAOYSA-N 322.369 -0.435 30 20 DBED O=C(NCC#CCO)C1CCN(c2ccc3nncn3n2)CC1 1344027131 CFQHJJZPZKPEFV-UHFFFAOYSA-N 314.349 -0.547 30 20 DBED C#CC[C@@H](NC(=O)Cn1nc2n(c1=O)CCCCC2)C(=O)OC 1344547429 YFZBTQQDFWWZBZ-LLVKDONJSA-N 320.349 -0.548 30 20 DBED C=CCN(C(=O)C(=O)NC[C@]1(OC)CCOC1)[C@H](C)COC 1350842129 AKXSFYAWRFWDLL-IUODEOHRSA-N 314.382 -0.042 30 20 DBED CSCC[C@H](NC(N)=O)C(=O)NCCn1cnc(C#N)n1 1362429005 SQRRGVALLFGFDS-QMMMGPOBSA-N 311.371 -0.944 30 20 DBED N#Cc1cn(CCNC(=O)CSC(F)F)c(=O)nc1O 1363129576 TZUDDHSGEZOBHO-UHFFFAOYSA-N 304.278 -0.107 30 20 DBED C[C@H](C#N)C(=O)NC1CC(N(C)C(=O)CN2CCOCC2=O)C1 1371187880 LLRJDQTZJHRRTB-VOMCLLRMSA-N 322.365 -0.890 30 20 DBED CCC(=O)N[C@H](C)C(=O)N(C)CCNC(=O)c1cc(C#N)c[nH]1 1373397843 WCODHAVBHYCYMA-SNVBAGLBSA-N 319.365 -0.011 30 20 DBED CCS(=O)(=O)CC(=O)NC[C@H](C)N(C)C(=O)[C@H](C)C#N 1380767391 MEDLEBSLFNMKOJ-ZJUUUORDSA-N 303.384 -0.456 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CCN(C(=O)CCS(C)(=O)=O)C1 1385383891 ZBRTYRYXWRIHIM-MNOVXSKESA-N 315.395 -0.360 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C)C(=O)CS(=O)(=O)C(C)(C)C 1388039650 JUZNDHOXDZOVAW-JTQLQIEISA-N 317.411 -0.066 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1cnn2c1CCC2 1389092615 IKTKDWVWNXVRAO-NXEZZACHSA-N 305.338 -0.804 30 20 DBED CNC(=O)NCCC(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H](C)C#N)C1 1396523703 QVODMOUOZFFCHW-GARJFASQSA-N 309.370 -0.524 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CCN(C(=O)CN2CCCNC2=O)C1 1396944653 RSNWCTNCOYHXGQ-GHMZBOCLSA-N 307.354 -0.722 30 20 DBED N#Cc1ccc(CNC[C@@H](O)CNC(=O)Cn2cncn2)s1 1406282190 NCYGIQQELKBQAY-SNVBAGLBSA-N 320.378 -0.522 30 20 DBED CNC(=O)NCC(=O)N1CCC(CN(C)C(=O)[C@H](C)C#N)CC1 1409009456 RHASUAINQPIROO-LLVKDONJSA-N 323.397 -0.228 30 20 DBED CC(C)OC(=O)[C@H](C)CNC(=O)Cn1cc(C#N)c(O)nc1=O 1412614090 BEPPKBURGCNDMC-SECBINFHSA-N 322.321 -0.476 30 20 DBED CCN1CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)C[C@@H]1C 1412688870 QIGNJLFPSTXKOO-NSHDSACASA-N 319.365 -0.237 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCN(C)[C@H](C)C(=O)NC(=O)NC1CC1 1422153235 SBXDWJSYYAQGCE-WDEREUQCSA-N 323.397 -0.087 30 20 DBED C[C@@H](C#N)C(=O)N1CC([C@H](C)NC(=O)CS(C)(=O)=O)C1 1424473773 MFWVQJJAPVTWCK-IUCAKERBSA-N 301.368 -0.846 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C)C(=O)Cc1nnn(C(C)(C)C)n1 1455433150 LPWSSKNPQBNFJO-JTQLQIEISA-N 321.385 -0.295 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1cnn(C)c1C1CC1 1458021952 VNRTWNVJNQQXGX-MWLCHTKSSA-N 319.365 -0.336 30 20 DBED Cc1nc(CS(=O)(=O)N2CCN(C3CC3)[C@H](C#N)C2)no1 1464276623 XXWTXVPREKPMDK-LLVKDONJSA-N 311.367 -0.120 30 20 DBED N#Cc1ncn(CCNC(=O)c2ccc3nc(CO)[nH]c3c2)n1 1467839651 ZEZOWTQNVPULIN-UHFFFAOYSA-N 311.305 -0.052 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC[C@@H](NC(=O)c2ccncn2)C1 1494781986 RKZXYKRZAQBNBK-VXGBXAGGSA-N 303.366 -0.029 30 20 DBED CNC(=O)NC(=O)CN1CCC(C)(CNC(=O)[C@@H](C)C#N)CC1 1500416581 TYLWDFWJQPGKLT-NSHDSACASA-N 323.397 -0.180 30 20 DBED C#CCNC(=O)N1CCN(c2cnccc2-c2nn[nH]n2)CC1 1588353827 ILUFVRUAUHLGKH-UHFFFAOYSA-N 312.337 -0.274 30 20 DBED COC(=O)[C@@H]1CN([C@@H](C)C(=O)NC2(C#N)CCC2)C[C@H]1C(=O)O 1598816452 CDDJYBFNUYKRJN-HBNTYKKESA-N 323.349 -0.257 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)Nc2cccc(C(=O)O)n2)C1 1601062641 LIHYNQBKFYXOMY-AWEZNQCLSA-N 318.289 -0.405 30 20 DBED C#C[C@H](NS(=O)(=O)N1CCC[C@H]1C(=O)O)[C@H]1CCCO1 1602671741 FVPPHHQKURJCMX-GARJFASQSA-N 302.352 -0.449 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC[C@@H](N=c2cc[nH]c(C(=O)O)n2)C1 1602809306 FGLQDIVEDJXOJD-MEBBXXQBSA-N 320.349 -0.063 30 20 DBED C=CCN1CC[C@@H](N(C)c2cc(-c3nn[nH]n3)ncn2)C1=O 1609057503 WFSMJFUFXDOWQI-SNVBAGLBSA-N 300.326 -0.120 30 20 DBED C[C@H](Cn1c(N)nc(-c2nn[nH]n2)c1C#N)CS(C)(=O)=O 1609116675 WISQGDSOSPTZLR-ZCFIWIBFSA-N 310.343 -0.802 30 20 DBED COC(=O)[C@@H](NCC(=O)NCC#N)c1cccc(C(=O)O)c1 1610153317 HTDDNUCFNMDSIV-LBPRGKRZSA-N 305.290 -0.172 30 20 DBED N#Cc1ncn(CCNC(=O)N2CCC[C@@H](n3ccnn3)C2)n1 1647233930 KANLHNGMSFGRBQ-LLVKDONJSA-N 315.341 -0.212 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)CCn2cc(C)cn2)C1 1661378517 VKPWZZPIDKTGCP-AWEZNQCLSA-N 317.393 -0.478 30 20 DBED C=CCN1CC[C@@H](N[C@H](C)CNC(=O)c2nnn(C)c2C)C1=O 1752866839 UDIDNDRBZKXWLN-ZYHUDNBSSA-N 320.397 -0.382 30 20 DBED COCC#CCN1CCC[C@@H]1CNC(=O)CN1C(=O)CCC1=O 1753116409 VEWWMOXHLWUNGP-CYBMUJFWSA-N 321.377 -0.634 30 20 DBED C=CCN1CC[C@H](CNC(=O)CN2CCCS2(=O)=O)C1 1753127180 IYTGPQGOFSRISU-GFCCVEGCSA-N 301.412 -0.354 30 20 DBED C#CCNC(=O)CN(C)C[C@H]1CCN(C(=O)c2ccnnc2)C1 1753356914 ZLTBIFRLAMWETJ-CYBMUJFWSA-N 315.377 -0.380 30 20 DBED C#CCNCc1ccc(CNC(=O)[C@@H]2CC(=O)NC(=O)N2)cc1 1753590222 ALCDDGWOHPHMDU-ZDUSSCGKSA-N 314.345 -0.376 30 20 DBED C=CCN1CCO[C@H](CNC(=O)CCN2C(=O)CCC2=O)C1 1753654980 HIHXAUAMQMFYNH-GFCCVEGCSA-N 309.366 -0.472 30 20 DBED N#CCNCC[C@H]1CCCCN1C(=O)CCCS(N)(=O)=O 1753786350 YEQGIPYLLCBXKP-GFCCVEGCSA-N 316.427 -0.061 30 20 DBED CC(C)[C@H](CNC(=O)[C@H](C)n1cncn1)NCC(=O)NCC#N 1753831018 ZURKHMQSBNALMS-RYUDHWBXSA-N 321.385 -0.791 30 20 DBED C#Cc1cncc(C(=O)NC[C@H](O)CNCc2cnsn2)c1 1753927073 CFPNAQNNLBFIPJ-CYBMUJFWSA-N 317.374 -0.205 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@H](C)NC(=O)c1cc(OC)no1 1754265664 RCQRJWGOHWQMQT-VHSXEESVSA-N 308.338 -0.471 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)[C@H](C)CS(C)(=O)=O 1754973822 GUTVJXUGMXXWPA-NEPJUHHUSA-N 302.396 -0.883 30 20 DBED N#CCSCC(=O)N1CC[C@H](N2CCN(CC#N)CC2)C1 1755018321 WURUUCPTUYUVMP-ZDUSSCGKSA-N 307.423 -0.015 30 20 DBED C#CCNC(=O)CN1CCC[C@@H](NC(=O)[C@H](O)C(C)C)CC1 1755024435 YNASGGYYKQKYJB-UKRRQHHQSA-N 309.410 -0.277 30 20 DBED CC#CCNCC1CC(NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 1755217481 GWLHZJOWWCCAAV-UHFFFAOYSA-N 318.377 -0.795 30 20 DBED C[C@H]1[C@H](NCC(=O)NCC#N)CCN1C(=O)CCc1cn[nH]c1 1755660992 GUABKJJVWYKSKA-WCQYABFASA-N 318.381 -0.439 30 20 DBED C=C(C)CNC[C@@H](O)CN(C)C(=O)c1cccn2nnnc12 1755780575 JDOBBIRDWFOIAY-LLVKDONJSA-N 304.354 -0.277 30 20 DBED C=CCCOCC(=O)N(C)[C@@H](C)CNC(=O)c1cnn(C)n1 1756045079 ACBSLYTUCBIPEM-NSHDSACASA-N 309.370 -0.016 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCN(C(=O)CCNC(N)=O)[C@@H]1C 1756565825 NMVJKPPARDNLJA-VXGBXAGGSA-N 324.381 -0.810 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@@H](NC(=O)c2cnn(C)n2)[C@H](C)C1 1757087790 PHNYPXBTCWHMSQ-NTZNESFSSA-N 319.365 -0.570 30 20 DBED C#CCCCCC(=O)N[C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1OC 1757123784 AYBPWRDXTBASRK-VXGBXAGGSA-N 324.381 -0.810 30 20 DBED C=CCC(=O)N1CCO[C@@]2(CCN(C(=O)CCNC(C)=O)C2)C1 1783191023 IJAFJQISTWXPMQ-MRXNPFEDSA-N 323.393 -0.081 30 20 DBED C=CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc[nH]n3)C[C@@H]21 1791274658 WJGWAZPXDYZDQW-SRVKXCTJSA-N 319.365 -0.026 30 20 DBED C[C@@H](CN)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1CC1 1793256788 NQOMCBQVSOEBBD-ZIEJDFEHSA-N 319.405 -0.416 30 20 DBED N#CCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NNC(=O)C1 1798370572 WPBSSZAZTTYLQM-JGPRNRPPSA-N 317.349 -0.196 30 20 DBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CCC1)C2 1800775704 DATJEZOGFWCMIS-JJLQDPRZSA-N 320.345 -0.536 30 20 DBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)S)CCO2 1840164162 ATJLAVUOSUJTJX-RISCZKNCSA-N 312.391 -0.606 30 20 DBED C[C@@H](S)C(=O)N1CCCC12CN(C(=O)COCCO)C2 1846370020 QSTDICCRVFULSE-SNVBAGLBSA-N 302.396 -0.483 30 20 DBED C=CCC(=O)N1CCCC12CN(C(=O)CN1C(=O)CNC1=O)C2 1846375768 TZPUQGMKXJVSMP-UHFFFAOYSA-N 320.349 -0.682 30 20 DBED C=CCC(=O)N1CC2(CCCN2C(=O)CN2C(=O)C=CC2=O)C1 1846461464 CWFLGTJPHYLYGK-UHFFFAOYSA-N 317.345 -0.309 30 20 DBED N#Cc1nc(NC(=O)Cn2nnc3ccccc3c2=O)[nH]c1C#N 26270027 SPZUNRMDRYEVPB-UHFFFAOYSA-N 320.272 -0.103 30 20 DBED N#Cc1ccc(CS(=O)(=O)N2CCN(CCO)CC2)cc1 35117457 STBWSIHRWBJILR-UHFFFAOYSA-N 309.391 -0.002 30 20 DBED C#CCNS(=O)(=O)c1ccc(C(=O)N(C)CC(=O)NC)cc1 55201179 BGLIYBZKNDNXBG-UHFFFAOYSA-N 323.374 -0.584 30 20 DBED C=CCNC(=O)CNC(=O)NC1CCN(CCN(C)C)CC1 180220767 CDWPGYKCDYFETB-UHFFFAOYSA-N 311.430 -0.386 30 20 DBED C=C(C)CN(CC)C(=O)[C@@H](C)N1CCN2C(=O)C(=O)NC[C@H]2C1 248185247 XFRKYRSRBLDNGG-OLZOCXBDSA-N 322.409 -0.558 30 20 DBED N#Cc1nccnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 263928196 VVLYFMYVOHTYHQ-UHFFFAOYSA-N 314.349 -0.381 30 20 DBED CNS(=O)(=O)c1ccc(C(=O)N2CCO[C@@H](C#N)C2)cc1 264464136 HAVWBNVQEDLUEW-NSHDSACASA-N 309.347 -0.041 30 20 DBED Cc1cc(NC(=O)CN2C(=O)CN(C)C2=O)nn1CCC#N 271157475 VEVSZTWUMGVOBL-UHFFFAOYSA-N 304.310 -0.062 30 20 DBED C=C(C)CS(=O)(=O)N1CCN(C(=O)C(=O)OCC)CC1 276553415 KRFODRFDYMFPLA-UHFFFAOYSA-N 304.368 -0.400 30 20 DBED CN(C[C@H](O)CO)C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C 279161026 ARHAQYUCNMANSN-NSHDSACASA-N 322.365 -0.135 30 20 DBED C#CCSCCNC(=O)NCCn1cc(C(=O)OC)nn1 285264002 DSPMVZMAJYUSRM-UHFFFAOYSA-N 311.367 -0.270 30 20 DBED N/C(=N/CCNS(=O)(=O)Cc1ccon1)N1CCCCC1 304772493 ARCMLCDLKUBPGM-UHFFFAOYSA-N 315.399 -0.105 30 20 DBED CC/N=C(/O)N1CCN([C@@H](C)C(=O)NCC(=O)OC)CC1 330714033 RVXKPXDJANRGEQ-JTQLQIEISA-N 300.359 -0.784 30 20 DBED CCN(CC)[C@@H]1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)C1 337100811 VPPKOHHPNNERAO-CHWSQXEVSA-N 316.427 -0.128 30 20 DBED C[C@@H]1CN(S(=O)(=O)N2CCO[C@H](C#N)C2)C[C@@H](C)N1C 339067412 MGJNNJCRUZWNKS-IJLUTSLNSA-N 302.400 -0.520 30 20 DBED C=CCNC(=O)CNC(=O)[C@@H](NS(C)(=O)=O)[C@H](C)CC 347888118 BVWKAAKNAZXEPD-KOLCDFICSA-N 305.400 -0.631 30 20 DBED C[C@@H]1CCCN1S(=O)(=O)CCCS(=O)(=O)N(C)CC#N 349503769 LCGSGXVWKZNLHF-LLVKDONJSA-N 323.440 -0.024 30 20 DBED C=CCNC(=O)NC(=O)CN(CCC)[C@H]1CCS(=O)(=O)C1 356054751 ZHPJTEGESQXZLV-NSHDSACASA-N 317.411 -0.103 30 20 DBED CC(C)OCCS(=O)(=O)NCC(=O)NC1(C#N)CCC1 357427645 RDJASCXTLZNVFP-UHFFFAOYSA-N 303.384 -0.107 30 20 DBED CCOCCOC[C@H](O)CNS(=O)(=O)CC1(C#N)CC1 359959248 QSIZJATUJFUZPG-LLVKDONJSA-N 306.384 -0.376 30 20 DBED COc1cccnc1CNc1c(C#N)c(=O)n(C)c(=O)n1C 450926606 MVROJXWJNYNCIP-UHFFFAOYSA-N 301.306 -0.029 30 20 DBED C=CCC[C@@H](CO)NC(=O)N[C@H](CC)CNS(C)(=O)=O 458953973 JYXDVJVCKWTLFJ-MNOVXSKESA-N 307.416 -0.060 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)CCC(C)(C)O)CC1 491240527 AMHLZLZKQGSVNC-UHFFFAOYSA-N 309.410 -0.179 30 20 DBED C#C[C@@H](C)N(C)C(=O)C(=O)Nc1c(OC)ncnc1N(C)C 491375688 XKOKRWYQIKFKKV-SECBINFHSA-N 305.338 -0.030 30 20 DBED C#CCNC(=O)CN1CCN([C@H](C)c2nccc(N)n2)CC1 491566921 IVKFXGAJOOCWRH-GFCCVEGCSA-N 302.382 -0.513 30 20 DBED N#Cc1ccc(N2CCN(C(=O)Cn3cnc(C#N)n3)CC2)nc1 495043464 YDNQXGPYKAGOMM-UHFFFAOYSA-N 322.332 -0.235 30 20 DBED CN1CCN(C(=O)C(=O)NCc2ccc(C#N)cc2)[C@@H](CN)C1 569579194 XMPTXOSBAPAQOP-AWEZNQCLSA-N 315.377 -0.724 30 20 DBED N#Cc1cccc(CNC(=O)CN2CC[C@@H](CO)[C@H](O)C2)c1 582204994 SJSCSNYMZUSLLX-LSDHHAIUSA-N 303.362 -0.150 30 20 DBED N#Cc1cccc(NC(=O)N(CCO)[C@@H]2CCS(=O)(=O)C2)n1 592265244 DWDPGUDWEVJEAY-LLVKDONJSA-N 324.362 -0.033 30 20 DBED CC(C)[C@@H](C#N)N1CCN(C(=O)C2(n3cnnn3)CC2)CC1 597049442 MFTVFIPZYSNHBT-GFCCVEGCSA-N 303.370 -0.145 30 20 DBED C[C@H]1CCN(C(=O)C(=O)N2CCN(CCC#N)CC2)C[C@@H]1CO 601510415 CTSQXMVYITZBDW-UONOGXRCSA-N 322.409 -0.479 30 20 DBED C[C@H]1CN(C(=O)C(=O)N2CCN(CCC#N)CC2)C[C@@H](C)N1C 601533369 NTBJZFREYSZVGH-OKILXGFUSA-N 321.425 -0.405 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCCC[C@H]1CNS(N)(=O)=O 615941135 NEJPGHUKDDYSRY-JQWIXIFHSA-N 305.400 -0.512 30 20 DBED CCOC1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 619708237 SEVJUQXTUGXFMV-LBPRGKRZSA-N 303.384 -0.044 30 20 DBED CC(C)(C)CN(CCO)S(=O)(=O)N1CCO[C@@H](C#N)C1 619710469 XJFHEVULTRJSRS-NSHDSACASA-N 305.400 -0.204 30 20 DBED Cn1ncc(C(=O)OCc2cc(O)n3ncc(C#N)c3n2)c1N 783988156 NALMCAHHRWWVGL-UHFFFAOYSA-N 313.277 -0.021 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@@H]1CCOC[C@@H]1OCC)[C@@H]1CCCO1 807131424 SFKKTCUUIKVLQO-CRWXNKLISA-N 324.377 -0.406 30 20 DBED C#CCN(CC(=O)NC(C)(CO)CO)C(=O)OC(C)(C)C 831940503 FLGQNVSBIGWSKT-UHFFFAOYSA-N 300.355 -0.284 30 20 DBED CC(C)(C)C(=O)Cn1cc(C(=O)N[C@@H]2CNC[C@H]2C#N)nn1 834479637 HEJQVKHKRGBOEE-NXEZZACHSA-N 304.354 -0.265 30 20 DBED CON=CC(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)OC(C)(C)C 839924833 JTHKUPWDOXUJQV-SECBINFHSA-N 320.367 -0.414 30 20 DBED C[C@H](C#N)CN(C)C(=O)C(=O)N1CC[C@@H]2COC(=O)N[C@H]2C1 843257958 WXSOKPOHLPVRQH-MXWKQRLJSA-N 308.338 -0.439 30 20 DBED CCn1cccc(CN/C(=N/C)NCCN2CCOCC2)c1=O 849105308 WVTBNSNFBBJUSJ-UHFFFAOYSA-N 321.425 -0.135 30 20 DBED C=CCONC(=O)N1CCN(S(=O)(=O)NC(C)C)CC1 854117349 CKXQDJQAZKVRGJ-UHFFFAOYSA-N 306.388 -0.326 30 20 DBED C#CCSCC(=O)O[C@@H](C)C(=O)NCCN1CCOCC1 892959669 HCKSZHFKOCTPFE-LBPRGKRZSA-N 314.407 -0.267 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCN(C(=O)N2CCN(C)CC2)CC1 896230271 OEVDUYBVZTVRKV-AWEZNQCLSA-N 322.409 -0.464 30 20 DBED C#CC1(O)CN([C@@H](C)C(=O)N2CCC[C@H](C(=O)OCC)C2)C1 934447063 LHBZAFDOHXPJOW-STQMWFEESA-N 308.378 -0.144 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)CC(N)=O)C1 936963185 RNGYUXNBVAZONM-UTUOFQBUSA-N 309.366 -0.488 30 20 DBED CN(C(=O)[C@@H]1COCCO1)[C@H]1CCN(C(=O)C#CC2CC2)C1 937347435 LTMVWVHWIOTETE-KBPBESRZSA-N 306.362 -0.126 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H]2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)c1 937798198 CBUGBVFTTZOABT-AXFHLTTASA-N 315.333 -0.662 30 20 DBED O=C(CC1CS(=O)(=O)C1)N[C@H]1CCN(C(=O)C#CC2CC2)C1 938204215 GWQNLSJSXIPPOB-ZDUSSCGKSA-N 324.402 -0.448 30 20 DBED N#Cc1cc(C(=O)N2CC[C@@H](NC(=O)[C@@H]3CCC(=O)N3)C2)c[nH]1 941883433 QDXGDUJZTSOHLF-PWSUYJOCSA-N 315.333 -0.504 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@@H]2CNC(=O)[C@H]2COC(=O)N2)c1 949690314 NUBSPVXDSJORLM-MWLCHTKSSA-N 317.305 -0.675 30 20 DBED CN(C(=O)c1ccc(C#N)[nH]1)C1CN(C(=O)[C@@H]2CCC(=O)N2)C1 954081208 JIINFPMLOLSHOM-LBPRGKRZSA-N 315.333 -0.552 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@H](C)OC)C1 954631160 QSADLUFGKHHIPU-JSGCOSHPSA-N 307.394 -0.212 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2ccnc3c2CC(=O)N3)C1 958215524 XAOQNSJNCABFQO-GXFFZTMASA-N 314.345 -0.768 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](CNC(=O)c2cn(C)c(=O)cn2)C1 958271515 GAHAJVXAMSPVQQ-TZMCWYRMSA-N 320.393 -0.231 30 20 DBED Cn1cnc2c(C(=O)NC[C@@H]3CN(CC#N)C[C@@H]3O)ccnc21 958399633 NGHWAODDSAXXRN-PWSUYJOCSA-N 314.349 -0.486 30 20 DBED C#CCCN1C[C@@H](O)[C@@H](CNC(=O)c2nnn(CC)c2CC)C1 958403483 GDUKBNIDFYZEFH-GXTWGEPZSA-N 319.409 -0.094 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2nccn3cc(C)nc23)C1 958576530 BKWPUEGUQMMCCX-QWHCGFSZSA-N 313.361 -0.307 30 20 DBED C#CCCN1C[C@@H](O)[C@H](CNC(=O)c2ccc(C(N)=O)nc2)C1 958747934 DXGBHHANQNDJAR-TZMCWYRMSA-N 316.361 -0.774 30 20 DBED Cc1nnsc1C(=O)NC[C@@H]1COCCN1C(=O)[C@@H](C)C#N 964073037 AFQSTZBPROHOCI-WCBMZHEXSA-N 323.378 -0.037 30 20 DBED CO[C@H](C)C(=O)N1CC2(CN(C(=O)C#CC3CC3)CCO2)C1 965374897 PMYGZZYTAIOTLP-GFCCVEGCSA-N 306.362 -0.126 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2CN(C(=O)CC(N)=O)C[C@H]2C)cn1 966255965 BUAWVNLVZKKLAO-MFKMUULPSA-N 314.345 -0.485 30 20 DBED CCN(C(=O)[C@H]1CCCC(=O)N1)C1CN(C(=O)[C@@H](C)C#N)C1 968060535 ZRYSTBCZSDMOFN-CMPLNLGQSA-N 306.366 -0.126 30 20 DBED C[C@@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)C1(C(N)=O)CC1)C2 969807208 ZQDMSGQEURXPQC-DCAQKATOSA-N 304.350 -0.387 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](N(C)Cc2nnn(C)n2)C1 972372753 HJXFGRHJYGXQNE-UPJWGTAASA-N 320.397 -0.166 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)[C@H]3CCN(C)C3=O)C2)C1 972505968 HFBVAEOAFGDJGJ-BBRMVZONSA-N 305.378 -0.599 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H]2[C@@H]3CN(C(=O)Cn4ccnc4)C[C@@H]32)c1 976322422 ISXWSCWCKBXVAP-JYAVWHMHSA-N 324.344 -0.030 30 20 DBED N#CCN1C[C@@H]2C(CNC(=O)[C@@H]3CN4CC5CC4(CO3)C5)[C@H]2C1 978552929 GGQPWPJYWRLMJK-PINPWASSSA-N 316.405 -0.333 30 20 DBED C#CCN[C@@H]1CCC[C@@H](NC(=O)CN2CCCS2(=O)=O)C1 981125077 QBPJXAKWZDBAQA-CHWSQXEVSA-N 313.423 -0.328 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCC[C@H](NCC(N)=O)C2)nn1 981375910 ZBNFCWNQCNZEHU-QWRGUYRKSA-N 306.370 -0.420 30 20 DBED C#CCN1CCC(C(=O)N2CCCN([C@@H](C)C(N)=O)CC2)CC1 989734847 HENMGURJTAARMZ-AWEZNQCLSA-N 320.437 -0.260 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CCNC2=O)C1 997427578 SKCJTMJIOLMJOO-UTUOFQBUSA-N 307.350 -0.959 30 20 DBED CC(C)N1CCO[C@H](C(=O)NC2CN(C(=O)[C@@H](C)C#N)C2)C1 998130894 BTBLIXOXYQXFOF-AAEUAGOBSA-N 308.382 -0.418 30 20 DBED C#CCN[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(CCOC)C2)C1 999298059 KQSLFASYTUULKY-KGLIPLIRSA-N 307.394 -0.305 30 20 DBED C#CCN[C@@H]1CCCN(C(=O)c2cn(CC(=O)N(C)C)nn2)C1 1001000201 QJTCYOYCCXJMJM-GFCCVEGCSA-N 318.381 -0.806 30 20 DBED C=CC(C)(C)C(=O)N1CC(CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 1004413180 XRIYNANIEJQCHT-NWDGAFQWSA-N 323.393 -0.194 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](NC(=O)c2nnn(C)n2)C(C)(C)C1 1008447699 HEABAMAJHOLVEK-BDAKNGLRSA-N 305.342 -0.663 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]2CN(C(=O)c3cc(=O)n(C)o3)C[C@H]21 1022563985 DOIVWLFIDHBMED-OUAUKWLOSA-N 318.333 -0.189 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]2CN(C(=O)CCn3ccnn3)C[C@H]21 1022564563 MKOFGWCYIVYOBJ-RWMBFGLXSA-N 316.365 -0.113 30 20 DBED CC(C)n1cc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2O)nn1 1025408139 QDJSHQGWUKUKAJ-CKYFFXLPSA-N 320.353 -0.680 30 20 DBED C#CCCN1C[C@H]2[C@H](NC(=O)[C@@H]3CN4CCC[C@H]4CO3)[C@H]2C1 1025798853 LJWSKMZEIHHHIL-ARKGTOAJSA-N 303.406 -0.081 30 20 DBED C#Cc1ccc(C(=O)N2C[C@@H]3CC[C@H](NCC(N)=O)[C@H]3C2)cn1 1026402130 HNQDUERWAIXHEW-QEJZJMRPSA-N 312.373 -0.012 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)[C@@]3(C)CCNC3=O)C2)C1=O 1030946268 FUDYXTDOEMZDMZ-LRDDRELGSA-N 320.393 -0.900 30 20 DBED CN(C(=O)Cn1nc2ccccn2c1=O)[C@H]1CCN(CC#N)C1 1033311506 HJNVBWAZDWNUBF-LBPRGKRZSA-N 314.349 -0.448 30 20 DBED CC#CCN1CC[C@@H](N(CC)C(=O)[C@H]2CCS(=O)(=O)N2)C1 1034042631 AGPFFWRUBLKAJY-CHWSQXEVSA-N 313.423 -0.376 30 20 DBED C#CCCN1CCO[C@H](CNC(=O)c2cc(C(N)=O)c[nH]2)C1 1035559450 HWLNQLCPPBFLOS-GFCCVEGCSA-N 304.350 -0.433 30 20 DBED C=C(C)CN1C[C@H]2C[C@H]1[C@H]2NC(=O)CN1CCN(C)C(=O)C1 1037462739 FYLZHLFUERRYEC-WWGRRREGSA-N 306.410 -0.475 30 20 DBED C#CCCN1CC[C@H]1CNC(=O)[C@@H]1CCc2nnnn2CC1 1038723493 NFEYFFFOWLPZDD-OLZOCXBDSA-N 302.382 -0.161 30 20 DBED C[C@H]1[C@@H](N=c2cc[nH]cc2C#N)CCN1C(=O)[C@H]1COC(=O)N1 1040114410 YVNKBEAKRORXJI-XHVZSJERSA-N 315.333 -0.115 30 20 DBED CCN(C)C(C)(C)C(=O)N1CC[C@](O)(CNC(=O)[C@@H](C)C#N)C1 1040765373 HWUGNVIZEAABII-LRDDRELGSA-N 324.425 -0.044 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3COCCO3)C2)nc1 1040928095 HPYJWBFIUWLMIZ-JHJVBQTASA-N 318.333 -0.966 30 20 DBED C#CCCN1CC[C@]2(CCN(C(=O)[C@@H]3CN(C)C(=O)N3)C2)C1 1041544418 NPQLMWNYOMIKBO-BBRMVZONSA-N 304.394 -0.042 30 20 DBED C=CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)c2cc(C)[nH]n2)C1 1041738985 UHZCDCBZXSLMDI-LLVKDONJSA-N 322.365 -0.388 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)[C@H]2CCC2(F)F)C1 1042052775 SPDFNAAETXDFJT-SNVBAGLBSA-N 318.320 -0.076 30 20 DBED C=CCN1CC[C@@H](N2CC(N(C)C(=O)Cc3cc[nH]n3)C2)C1=O 1042565157 SQHWVTKUQJWCEZ-CQSZACIVSA-N 317.393 -0.118 30 20 DBED C[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)C[C@H]1Nc1cncc(C#N)n1 1043472262 AAWAIQXTSCMQPX-FBIMIBRVSA-N 315.337 -0.712 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)Cc2cncn2C)C1 1044007091 DYOKMKYYBPNMKV-UHFFFAOYSA-N 318.377 -0.544 30 20 DBED C=C[C@@](C)(CC)C(=O)N1CC(O)(CNC(=O)[C@@H]2CCC(=O)N2)C1 1044265280 CDMSDJLTIHZZBR-NHYWBVRUSA-N 323.393 -0.443 30 20 DBED C=CCCCC(=O)NCC1(O)CN(C(=O)Cc2n[nH]c(C)n2)C1 1045450803 CYPGMBZOJLNTSV-UHFFFAOYSA-N 321.381 -0.299 30 20 DBED C[C@H](C#N)C(=O)N1CCN([C@H]2CCN(CC(=O)N(C)C)C2)CC1 1046011722 GJJSKPFRWHWNBI-KGLIPLIRSA-N 321.425 -0.547 30 20 DBED N#Cc1ccc(N[C@H]2C[C@@H](CNC(=O)[C@H]3CNC(=O)N3)C2)nn1 1046562522 SNRWLMCTRRLNQG-DVVUODLYSA-N 315.337 -0.664 30 20 DBED CC#CCN1CCC(F)(F)[C@@H](CNC(=O)c2nnn(C)n2)C1 1046964391 RFBHPSGPRSCVLP-JTQLQIEISA-N 312.324 -0.080 30 20 DBED CC(C)CN1CC[C@@H](C(=O)N(C)[C@H]2CN(CC#N)C[C@@H]2O)C1 1047407442 HKOQNWVTDYVFLF-ILXRZTDVSA-N 308.426 -0.009 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3c[nH]nc3C2)C1 1047634669 MPVUGQWUDQYQPO-CQDKDKBSSA-N 302.378 -0.349 30 20 DBED CC(C)C#CC(=O)N(C)[C@H]1CN(C(=O)c2cnsn2)C[C@@H]1O 1048811310 UMWMLZNOTKKGKP-RYUDHWBXSA-N 322.390 -0.159 30 20 DBED Cc1nn(C)c(=O)c(C(=O)N2C[C@@H]3CN(CC#N)C[C@@H]3C2)c1C 1048972309 QWRCGGITPGMZPN-BETUJISGSA-N 315.377 -0.075 30 20 DBED C=C[C@@](C)(O)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cnon2)C1 1049289305 XCZJULHFQJLCIY-COPLHBTASA-N 324.337 -0.960 30 20 DBED C=CCN1CC[C@H](N2C[C@@H]3CCCN(C(=O)C(N)=O)[C@@H]3C2)C1=O 1050130850 INRMLTUZIYWHQS-RWMBFGLXSA-N 320.393 -0.819 30 20 DBED CC(C)(C)n1cnc(C(=O)NC[C@H]2COCCN2CC#N)n1 1051110696 BKACELPYBVGYSO-NSHDSACASA-N 306.370 -0.013 30 20 DBED CC#CCN1CCOC[C@@H]1CNC(=O)[C@H]1C[C@H]1C(=O)N(C)C 1051117887 JPMGKTLXIXNIQG-MELADBBJSA-N 307.394 -0.449 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)CN3CCCCC3=O)CO2)C1 1053856205 DSEXGJVDKKKDKI-AWEZNQCLSA-N 319.405 -0.018 30 20 DBED Cn1nncc1C(=O)NC1[C@@H]2CN(c3ccnc(C#N)n3)C[C@@H]12 1056196018 XTXIMLNDWWKHEF-RKDXNWHRSA-N 310.321 -0.659 30 20 DBED Cc1cc(C#N)nc(N2C[C@H]3C(NC(=O)c4nc[nH]n4)[C@@H]3C2)n1 1056272039 LOTXJPKTAQGRSJ-NXEZZACHSA-N 310.321 -0.361 30 20 DBED N#Cc1cccnc1N1C[C@H]2C(NC(=O)Cc3nc[nH]n3)[C@@H]2C1 1056297898 RFWTXRLDIDWPBC-GHMZBOCLSA-N 309.333 -0.135 30 20 DBED Cc1nn[nH]c1C(=O)NC1[C@H]2CN(c3cncc(C#N)n3)C[C@H]12 1056363229 XNRUOQCMCHYDRU-UWVGGRQHSA-N 310.321 -0.361 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)CNC(N)=O 1056540559 LRLNUURGUDUOFI-MXWKQRLJSA-N 307.354 -0.594 30 20 DBED C#CCO[C@H](C)C(=O)NCCN(CCO)C(=O)c1cc(C)[nH]n1 1057104215 NYFAJRIMUWIJLG-GFCCVEGCSA-N 322.365 -0.693 30 20 DBED C#CCOCCC(=O)N(CCO)CCNC(=O)c1cncn1C 1057583129 HTHVMLPDJVALON-UHFFFAOYSA-N 322.365 -0.989 30 20 DBED C#CCOCCC(=O)N(CCO)CCNC(=O)[C@H](F)C(C)C 1057583366 OERVHPHECXMETL-CQSZACIVSA-N 316.373 -0.043 30 20 DBED N#Cc1nccnc1N[C@H]1CCCN(C(=O)[C@@H]2CNC(=O)N2)C1 1057749524 WMWGBDXAHNATIN-ONGXEEELSA-N 315.337 -0.567 30 20 DBED CCC(=O)N[C@H](C)C(=O)N(CCO)CCNC(=O)C#CC1CC1 1057847742 RNHSEUWIXJWHDR-GFCCVEGCSA-N 323.393 -0.748 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)CCCn1ccnc1 1057984364 UWQZMMQBVFEIKL-ZDUSSCGKSA-N 321.381 -0.240 30 20 DBED CC#CCCCC(=O)NCCN(CCO)C(=O)[C@@H]1CCC(=O)N1 1058243741 WAVZSMQIECLAQL-ZDUSSCGKSA-N 323.393 -0.604 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCN(CCO)C(=O)c1c[nH]nc1C 1058267650 GBHIGQHUHONSSD-OAHLLOKOSA-N 324.381 -0.404 30 20 DBED Cn1oc(C(=O)N[C@H]2CCN(c3cnc(C#N)cn3)C2)cc1=O 1058336111 NMYFUWFCUXZZAV-VIFPVBQESA-N 314.305 -0.351 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)C[C@@H]1CCN(C)C1 1058654688 FKIPUPYNAGWUAC-OLZOCXBDSA-N 310.398 -0.575 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@H](C)C#N 1058659384 YFJOZTRKDOZBBF-UPJWGTAASA-N 309.366 -0.326 30 20 DBED N#Cc1ccc(N2C[C@@H]3CC[C@H](C2)N3C(=O)Cn2cncn2)nn1 1058759096 MLIMSBZJTLYRHZ-BETUJISGSA-N 324.348 -0.180 30 20 DBED C[C@@H](C#N)C(=O)NCC[C@H]1CCN(C(=O)c2cnnn2C)C1 1059572950 XVSFMQUXHIKSII-QWRGUYRKSA-N 304.354 -0.057 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1C[C@@H](NC(=O)[C@H]2CC[C@@H]2C(N)=O)C1 1059784059 CKQWGSPEGKYVEL-RNJOBUHISA-N 313.361 -0.054 30 20 DBED C=CCOCC(=O)NCC[C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 1060258516 IGWIEMNPFIRTFD-NWDGAFQWSA-N 324.381 -0.775 30 20 DBED N#Cc1nccnc1N[C@@H]1CC[C@H]2CN(C(=O)C(N)=O)C[C@@H]21 1060554605 ZGTCVSRDMAJUOR-LPEHRKFASA-N 300.322 -0.518 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCOC[C@H]1CNC(=O)CSC 1061262124 VAFGSXUIQMYVOQ-NWDGAFQWSA-N 314.407 -0.269 30 20 DBED C#CCOCCC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1CCOC1 1061385778 BILPYWPLMAFIHR-KGLIPLIRSA-N 324.377 -0.594 30 20 DBED Cc1[nH]nc(C(=O)N2CCOC[C@H]2CNC(=O)[C@@H](C)C#N)c1O 1061848365 QBWISTXESOICBK-WCBMZHEXSA-N 321.337 -0.459 30 20 DBED CC(C)C#CC(=O)NCC1(NC(=O)[C@H]2CNC(=O)N2)CCC1 1062960403 HPCPHCKNHUKDGV-LLVKDONJSA-N 306.366 -0.518 30 20 DBED N#Cc1nccnc1N1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1ccc(O)nn1 1064215560 GALGTYRVRDZYFJ-YDEJPDAXSA-N 323.316 -0.149 30 20 DBED CC[C@@H]1CN(C(=O)C(N)=O)CC[C@@H]1Nc1nccnc1C#N 1064413588 XPJFPJHIRWBHGY-ZJUUUORDSA-N 302.338 -0.127 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)c2nc[nH]n2)CCO1 1065446560 HOVOPNSPXSNBFL-NSHDSACASA-N 305.338 -0.435 30 20 DBED CN(C(=O)[C@H]1CCCO1)[C@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1065566654 TXAIAKVZIYOREQ-SDDRHHMPSA-N 317.349 -0.465 30 20 DBED N#Cc1cnccc1N1C[C@H](CNC(=O)c2cnn[nH]2)[C@@H](O)C1 1067698151 SMACGVBFTIPHNV-GWCFXTLKSA-N 313.321 -0.702 30 20 DBED N#Cc1ccc(NCC2CC(NC(=O)[C@@H]3CNC(=O)N3)C2)nn1 1067883083 CWSXBURRGAKSCN-RFBVYIQQSA-N 315.337 -0.664 30 20 DBED COCC(=O)N1CC[C@]2(C1)CN(c1ccc(C#N)nn1)CCO2 1068075134 QSMCWOZSAAVJBB-OAHLLOKOSA-N 317.349 -0.198 30 20 DBED Cc1cc(C(=O)N2CC3(C[C@@H](NC(=O)[C@H](C)C#N)CO3)C2)n[nH]1 1069004641 XYRUEVPXUYPMPI-MWLCHTKSSA-N 317.349 -0.023 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1COC2(C1)CN(C(=O)Cc1cnc[nH]1)C2 1069009151 XEHUICNBLMYFDN-JQWIXIFHSA-N 317.349 -0.402 30 20 DBED N#Cc1cnc(N2CC[C@@]3(NC(=O)C(N)=O)CCC[C@@H]23)cn1 1069282788 RJNJXJGKPURVDF-YGRLFVJLSA-N 300.322 -0.549 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CCCN(C(=O)Cn2cnnn2)C1 1070410410 FKRRXHKSDIDPEG-RISCZKNCSA-N 322.369 -0.893 30 20 DBED Cn1cncc1[C@@H]1CN(C(=O)Cc2cnc[nH]2)C[C@H]1NCC#N 1070695255 WELPCHGDCXFGTN-CHWSQXEVSA-N 313.365 -0.207 30 20 DBED N#CCN1C[C@H]2C[C@H]3CN(C(=O)[C@H]4COCCO4)C[C@@]3(C1)O2 1070766983 NVAXCYGBIWHJJR-KYEXWDHISA-N 307.350 -0.773 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)c2ccncn2)CC1 1071009310 KNOXWOHWOPHGFR-UHFFFAOYSA-N 301.350 -0.626 30 20 DBED C=CCOCC(=O)N1C[C@H](C)[C@H](NC(=O)C(C)(C)C(N)=O)C1 1071810670 CMYJBLCIBDBJRO-WDEREUQCSA-N 311.382 -0.336 30 20 DBED C[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1NC(=O)CSCC#N 1072011295 VPMORYASEXYFBM-NXEZZACHSA-N 322.394 -0.351 30 20 DBED N#CCN1CCO[C@@H]2CCN(C(=O)c3cncnc3O)C[C@H]21 1074277015 WJEKFVANDXKLCS-VXGBXAGGSA-N 303.322 -0.379 30 20 DBED C#CCN[C@@H]1CCO[C@H](C2CCN(C(=O)CC(N)=O)CC2)C1 1075388043 GRKXICYTCNHLRG-KGLIPLIRSA-N 307.394 -0.129 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)c2cncc3ncn(C)c23)C1 1077166995 UNAPRNJCOIYCIZ-CHWSQXEVSA-N 301.350 -0.071 30 20 DBED C#CCCN1C[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)[C@H](C)C1 1079805527 UVAVHGYWZYODBS-CHWSQXEVSA-N 318.377 -0.993 30 20 DBED COCC(=O)N1CCC(CO)(NC(=O)c2cc(C#N)c[nH]2)CC1 1080800914 IHIZGXPAJAEGBL-UHFFFAOYSA-N 320.349 -0.384 30 20 DBED C=CCCOCC(=O)N1C[C@H](O)[C@H](CNC(=O)COC)C1 1081167805 ZOUXMCAYPUNOBG-NEPJUHHUSA-N 300.355 -0.839 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cnsn2)C1 1081299489 FQFZSMLVJHTEEH-PWSUYJOCSA-N 322.390 -0.109 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)c2cnn(C)n2)C[C@@H]1O 1081336128 UDIVBZTZLLYBPZ-JQWIXIFHSA-N 307.354 -0.670 30 20 DBED C=CCC(C)(C)C(=O)N1C[C@@H](O)[C@H](CNC(=O)c2nc[nH]n2)C1 1081652711 FFULWHULOPIBQA-GHMZBOCLSA-N 321.381 -0.044 30 20 DBED CC#CCCCC(=O)NC[C@H]1CN(C(=O)c2cnon2)C[C@@H]1O 1081672424 XZSRWXPKCGEMAR-AAEUAGOBSA-N 320.349 -0.188 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCCC[C@H]1CNC(=O)CNC(C)=O 1082074439 BLNZXKMBXFBYLG-JSGCOSHPSA-N 323.393 -0.342 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@@H]2CC(=O)N(CCC)C2)[C@H](OC)C1 1082188692 MWXOCZABZCEYIE-MGPQQGTHSA-N 307.394 -0.307 30 20 DBED Cn1cc([C@@H]2C[C@H]2C(=O)N2CCO[C@@H]3CN(CC#N)C[C@@H]32)cn1 1083201016 MVGYXIDDXCAKAJ-LJISPDSOSA-N 315.377 -0.041 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCS(=O)(=O)C2)C1 1083618088 POOADYOBTGSGLF-UTUOFQBUSA-N 302.396 -0.842 30 20 DBED CC(C)CCn1cc(C(=O)N[C@@H]2CN(CC#N)C[C@@H]2O)nn1 1083773526 RFWXKLMMCKJFHY-YPMHNXCESA-N 306.370 -0.377 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)Cc2ccnc(OC)c2)C1 1083782111 IKBKCROHYIKNAJ-KGLIPLIRSA-N 303.362 -0.183 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CCN(Cc3nc(O)n[nH]3)C[C@H]2C1 1087911392 UDFQNVRMEPXVOX-MXWKQRLJSA-N 304.354 -0.050 30 20 DBED CCN(c1nccnc1C#N)[C@H](C)CNC(=O)[C@H]1COC(=O)N1 1089636150 PPGUXTLXIGATCG-MWLCHTKSSA-N 318.337 -0.212 30 20 DBED N#CCN1C[C@H]2[C@H]3CC[C@@H]([C@H]2C1)N(C(=O)Cn1ncnn1)C3 1089816360 OFZFOSMGVGSRQI-CYDGBPFRSA-N 301.354 -0.635 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2c(C)ncnc2O)[C@H](O)C1 1090515470 TVYLYJWCIOZJOR-NWDGAFQWSA-N 304.350 -0.321 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)c2cncc(C(N)=O)c2)[C@H](O)C1 1090820302 PTADKSGWGSBVOU-UONOGXRCSA-N 318.377 -0.078 30 20 DBED COc1ccc([C@@H]2CN(C(=O)C(N)=O)C[C@H]2NCC#N)cc1 1090879948 RXIHISJWRVRKJP-QWHCGFSZSA-N 302.334 -0.412 30 20 DBED N#Cc1cncc(N[C@H]2C[C@H](CNC(=O)Cn3cncn3)C2)n1 1091457727 TXKHWNYAFQOGBU-XYPYZODXSA-N 312.337 -0.053 30 20 DBED CC(C)(O)CC(=O)N[C@H]1CCN(c2nccnc2C#N)C[C@H]1O 1092147043 ZIQRZBDCKDYVCC-CMPLNLGQSA-N 319.365 -0.435 30 20 DBED C[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1CCNC(=O)C(N)=O 1092576122 VNJUZGDXMMHNDD-NXEZZACHSA-N 302.338 -0.588 30 20 DBED C[C@]1(CNC(=O)CC(N)=O)CN(c2ccc(C#N)cn2)CCO1 1092736959 ZXQQYKFJQSXEMB-HNNXBMFYSA-N 317.349 -0.460 30 20 DBED CNC(=O)CCCC(=O)N1CCN(c2nccnc2C#N)CC1 1093149105 XQKRYBFBGGOFOS-UHFFFAOYSA-N 316.365 -0.087 30 20 DBED C=CCOCC(=O)N[C@H]1[C@@H]2CN(c3ccc4nnnn4n3)C[C@@H]21 1093220575 CNRYEQJIDDSLKP-MSRIBSCDSA-N 315.337 -0.727 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@@H]2CN(c3ccc(C#N)nc3)C[C@@H]12 1093265605 IZWJOMAMODWWFL-ZIAGYGMSSA-N 323.356 -0.356 30 20 DBED C#CCO[C@H](C)C(=O)NC1[C@H]2CN(c3cnc(C#N)cn3)C[C@H]12 1093311385 QLCBFLRTKLKHFS-WXHSDQCUSA-N 311.345 -0.063 30 20 DBED CO[C@H](C(=O)NCCN=c1cc[nH]c(C#N)n1)[C@@H]1CCOC1 1094011157 ATUUZIRDCTUSFP-MFKMUULPSA-N 305.338 -0.650 30 20 DBED CC#CCN1CC(n2cc(CNC(=O)c3cnnn3C)nn2)C1 1094288852 WHDULAQCMQJZDD-UHFFFAOYSA-N 314.353 -0.783 30 20 DBED C=C(C)CN1CC(N2C[C@H](NC(=O)Cn3ccnc3)CC2=O)C1 1094823149 SCKDAIOZQFZYPO-CYBMUJFWSA-N 317.393 -0.140 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)Cn3ccnc3)CC2=O)C1 1094823531 XKZJAXBQGXYXOK-LBPRGKRZSA-N 303.366 -0.530 30 20 DBED CC(=O)N[C@H](C)C(=O)N[C@@H]1CCCN(c2nccnc2C#N)C1 1096135415 XQORIHCQOKRFOU-ZYHUDNBSSA-N 316.365 -0.042 30 20 DBED CC(C)(C(N)=O)C(=O)N[C@@H]1CCCN(c2cnc(C#N)cn2)C1 1096211800 LCZXXFVEAJLRGE-SNVBAGLBSA-N 316.365 -0.055 30 20 DBED CN(C)C(=O)CC(=O)N[C@@H]1CCN(c2cncc(C#N)n2)C1 1096489009 YOJIYCQZDJRINM-SNVBAGLBSA-N 302.338 -0.479 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@H](Nc2nccn3nnnc23)C1 1096962023 HNRGDSFBEPSCAD-MNOVXSKESA-N 315.337 -0.430 30 20 DBED N#Cc1nc(=N[C@H]2C[C@@H](NC(=O)CO[C@@H]3CCOC3)C2)cc[nH]1 1097224152 FNXMAUNZAJTNBV-GRYCIOLGSA-N 317.349 -0.365 30 20 DBED CNC(=O)NC(C)(C)C(=O)NC[C@@H](C)N=c1cc[nH]cc1C#N 1097890106 RLISCLHQPUXYKS-SNVBAGLBSA-N 318.381 -0.001 30 20 DBED C[C@H](CNC(=O)c1cn(C)c(=O)n1C)Nc1ccc(C#N)nn1 1097895468 XPEHMEHAGQFSFS-SECBINFHSA-N 315.337 -0.384 30 20 DBED COc1cncc(C(=O)NC[C@H](C)N=c2cc[nH]c(C#N)n2)n1 1098062420 BVKOYXSGQBYZIV-VIFPVBQESA-N 313.321 -0.201 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@H](C)N=c1cc[nH]c(C#N)n1 1098360008 SRTGHWZTLPXNMG-OLZOCXBDSA-N 312.377 -0.216 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CCC(=O)NC1)Nc1cncc(C#N)n1 1098397746 TUURDAULYNHVFU-VHSXEESVSA-N 302.338 -0.209 30 20 DBED N#Cc1nc(=N[C@@H]2CCC[C@H](NC(=O)CNC(N)=O)C2)cc[nH]1 1098590486 TVNNVFXJPKWKAB-ZJUUUORDSA-N 317.353 -0.722 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)c2ccsc2)[C@H](O)C1 1099650576 HGJFYEBZIHKXAO-QWHCGFSZSA-N 321.402 -0.338 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)C(C)(C)C=C)[C@@H](O)C1 1099944263 LCFKXVDMKXWTAG-OLZOCXBDSA-N 307.394 -0.501 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)[C@@H]2[C@H]3COC[C@H]32)[C@H](O)C1 1099949727 UVJGOACEJYFFHC-XPABHHOTSA-N 310.394 -0.367 30 20 DBED Cc1cc(C#N)nc(N(C)CCNC(=O)CCc2nc[nH]n2)n1 1100017829 HWGVMWKKBKWEOR-UHFFFAOYSA-N 314.353 -0.040 30 20 DBED C#CCN1CC[C@H](NC(=O)CNC(=O)CC2CCCC2)[C@H](O)C1 1100031987 MWMFMBSNVQHNAA-LSDHHAIUSA-N 321.421 -0.133 30 20 DBED C#CCN1CC[C@H](NC(=O)CNC(=O)CCC(C)C)[C@H](O)C1 1100036858 OILXZCAFGCFTIS-UONOGXRCSA-N 309.410 -0.277 30 20 DBED C#CCN1CC[C@H](NC(=O)CNC(=O)c2ccsc2)[C@H](O)C1 1100120053 UEIBOJKSKRTGCK-QWHCGFSZSA-N 321.402 -0.338 30 20 DBED CCN(CCNC(=O)C1CN(C(C)=O)C1)c1ccc(C#N)nn1 1100506058 FLDBXOHXPUMUKQ-UHFFFAOYSA-N 316.365 -0.231 30 20 DBED CCCN(CCNC(=O)[C@H]1CNC(=O)N1)c1nccnc1C#N 1101235646 BIJCNJJWXKLOOI-LLVKDONJSA-N 317.353 -0.638 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)Cc2cnc[nH]2)C1 1102406561 ZDISTSDTDNZOGR-CHWSQXEVSA-N 317.393 -0.614 30 20 DBED CCc1nc(C#N)cc(N2CCC[C@@H]2CCNC(=O)C(N)=O)n1 1103771198 HCMNGWRQWSNHDM-LLVKDONJSA-N 316.365 -0.129 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(c2ccnc(C#N)n2)CCO1 1104298488 QQCSFUOUAHYQIM-GFCCVEGCSA-N 317.349 -0.128 30 20 DBED CN(CCN(C)c1cncc(C#N)n1)C(=O)CN1CCCC1=O 1105321656 CWCZOHYSAXKLBQ-UHFFFAOYSA-N 316.365 -0.135 30 20 DBED C=C(C)CNCc1cn(C2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)nn1 1105328697 QXRMRKFWUUHDDA-OLZOCXBDSA-N 318.381 -0.552 30 20 DBED CN(CCN(C)c1ccc(C#N)nn1)C(=O)c1nnn(C)n1 1105535071 JLEXSILVZYAVNX-UHFFFAOYSA-N 301.314 -0.920 30 20 DBED Cc1cc(C(=O)NC[C@H](O)CNc2cncc(C#N)n2)n[nH]1 1105727667 RDTMHFYXHCGKQM-SNVBAGLBSA-N 301.310 -0.417 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@H](O)CN=c1cc(C)[nH]cc1C#N 1105805726 HSFSIIWFHUQYPT-CZUORRHYSA-N 318.377 -0.100 30 20 DBED Cn1cncc1CC(=O)NC[C@@H](O)CNc1ccc(C#N)nn1 1105914565 XYRBTQGWYUPZQZ-LBPRGKRZSA-N 315.337 -0.787 30 20 DBED COCCC1(C(=O)NC[C@@H](O)CN=c2cc[nH]c(C#N)n2)CC1 1105991547 JJEMDHGRFWSWHU-NSHDSACASA-N 319.365 -0.524 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C 1106101116 JISKQOPPOAPLOI-UKRRQHHQSA-N 301.390 -0.167 30 20 DBED C=CCNC(=O)[C@H](C)NC[C@@H]1CN(C(=O)c2cnn[nH]2)C[C@H]1C 1106366347 PBUITZMSCMLRAY-GRYCIOLGSA-N 320.397 -0.207 30 20 DBED C#CCNC(=O)CC(=O)NC/C=C\CNc1ccc(C#N)nn1 1107130648 SIMHGGSVOCPPJK-ARJAWSKDSA-N 312.333 -0.428 30 20 DBED CCNC(=O)CN1CC(n2cc(CNC(=O)[C@@H](C)C#N)nn2)C1 1107147132 UQVRWFBKNZTIDR-JTQLQIEISA-N 319.369 -0.953 30 20 DBED CC(C)(C(N)=O)C(=O)NC/C=C\CNc1ccc(C#N)nn1 1107386136 DAUOWYVOLMLPPF-ARJAWSKDSA-N 302.338 -0.056 30 20 DBED C=CCOCCN1CCO[C@](C)(CNC(=O)Cn2cnnn2)C1 1107728111 RSTIVZRZYHHEPO-CQSZACIVSA-N 324.385 -0.917 30 20 DBED C#CCNC(=O)CN1CCO[C@](C)(CNC(=O)C#CC(C)C)C1 1107926526 JEAOUNNRHFSADF-QGZVFWFLSA-N 319.405 -0.398 30 20 DBED C[C@@H](CNc1ccc(C#N)nn1)NC(=O)[C@H](C)N1CCOCC1 1108435342 WCRZXCRIZDDXNS-RYUDHWBXSA-N 318.381 -0.014 30 20 DBED C=C(C)CN1CCN(C(=O)COCC)[C@@H]2CS(=O)(=O)C[C@@H]21 1108453349 QFSNBBLYJZGUTK-QWHCGFSZSA-N 316.423 -0.091 30 20 DBED CCC(=O)NCC(=O)N[C@@H](C)CN(C)c1cnc(C#N)cn1 1108879433 DEZYZHBBABCELB-JTQLQIEISA-N 304.354 -0.185 30 20 DBED C[C@@H](CN(C)c1cncc(C#N)n1)NC(=O)c1cnnn1C 1108921290 IMCXZXKEJGBZBA-VIFPVBQESA-N 300.326 -0.269 30 20 DBED C[C@@H](CN(C)c1ccc(C#N)nn1)NC(=O)Cn1cnnc1O 1108945835 XRTBDCXSCZVKOZ-VIFPVBQESA-N 316.325 -0.714 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cn1ncnn1 1109292783 GDUUHMOCXUSZJC-AGIUHOORSA-N 304.354 -0.956 30 20 DBED CN(CCCNc1cncc(C#N)n1)C(=O)Cn1cnnn1 1109363167 BDJQNIXWGZHFNB-UHFFFAOYSA-N 301.314 -0.705 30 20 DBED CC(C)(C(N)=O)C(=O)N[C@@H]1[C@H]2C[C@H]1N(c1ccnc(C#N)n1)C2 1109728133 HYFPHZYSBIWGEB-YGOYTEALSA-N 314.349 -0.447 30 20 DBED N#Cc1cncc(NC2(CNC(=O)C[C@@H]3CCNC3=O)CC2)n1 1110250597 OUPSDSREBGUPCF-JTQLQIEISA-N 314.349 -0.065 30 20 DBED N#Cc1nc(=NCCN(CCO)C(=O)c2cn[nH]c2)cc[nH]1 1111444141 NUWPICLSGPTITF-UHFFFAOYSA-N 301.310 -0.960 30 20 DBED C=CCN1CC[C@H](N2CCN(C(=O)CNC(C)=O)CC2)C1=O 1112598967 NKBKLDNGUHLPOI-ZDUSSCGKSA-N 308.382 -0.946 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)C[C@H]2CCOC2)CC1 1112737080 RIMCOJQXFHHHEY-UONOGXRCSA-N 307.394 -0.305 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCN([C@H](C)c2nnnn2C)CC1 1112814232 KUUNZUABVDOKPO-BXUZGUMPSA-N 308.386 -0.258 30 20 DBED C#CCOCCC(=O)N1CCN([C@@H](C)C(=O)NC(=O)NC)CC1 1112844945 NKMQPUNBBAXNCB-LBPRGKRZSA-N 324.381 -0.985 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)CC[C@@H]2CCCN2C)CC1 1112979745 DNLWOSQJPVFIAV-HNNXBMFYSA-N 320.437 -0.246 30 20 DBED C[C@H](CNC(=O)c1cnn(C)c1N)N(C)c1nccnc1C#N 1113573239 GQLXSQUZLLXZKJ-SECBINFHSA-N 314.353 -0.081 30 20 DBED C[C@@H](CNC(=O)c1cnn(C)n1)N(C)c1cncc(C#N)n1 1113652085 PRJMDHUUJONHLD-VIFPVBQESA-N 300.326 -0.269 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)CCCC(N)=O)CC1 1113731642 UPYAKCHZEAXMMS-LBPRGKRZSA-N 310.398 -0.523 30 20 DBED C[C@H]1CCN(c2cncc(C#N)n2)C[C@@H]1NC(=O)CC(N)=O 1114007543 ILDTUHXRILTOHN-ONGXEEELSA-N 302.338 -0.445 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3ccnc(O)c3)[C@H]2C1 1114131252 YYUXIYCRQWTSGT-JYAVWHMHSA-N 314.345 -0.803 30 20 DBED CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3ccc(C#N)[nH]3)[C@H]2C1 1114143439 OKBPWHJIXAGJOU-YABSGUDNSA-N 301.350 -0.318 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@@H]2CN(Cc3ccns3)C[C@@H]12 1114159970 OOTMNADMFHEUFH-VXGBXAGGSA-N 318.402 -0.171 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3cnn(CC)n3)[C@H]2C1 1114217680 UMZQMAILFWATCO-YABSGUDNSA-N 318.381 -0.740 30 20 DBED C#CCOCCC(=O)NC1[C@H]2CN(CC(=O)N(C)C(C)C)C[C@H]12 1114265824 JRKZLZINOCPXLV-KBPBESRZSA-N 321.421 -0.061 30 20 DBED C#CCOCCC(=O)N[C@H]1[C@@H]2CN(Cc3nonc3C)C[C@@H]21 1114266027 LEQGIOHVTDGOFX-JYAVWHMHSA-N 304.350 -0.036 30 20 DBED N#CCNC(=O)CN1C[C@@H]2C(NC(=O)C3(C(F)F)CC3)[C@H]2C1 1114281241 WDNNZLWQQBUIJS-IUCAKERBSA-N 312.320 -0.282 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)[C@@H]3CCCCN3C)[C@@H]2C1 1114465661 IXXOUUATEKIWTF-MCIONIFRSA-N 320.437 -0.181 30 20 DBED N#Cc1cncc(N2C[C@@H]3C(CNC(=O)Cn4nccn4)[C@H]3C2)n1 1114580811 UMCZDCZPOSQODJ-CHWSQXEVSA-N 324.348 -0.562 30 20 DBED N#Cc1cnc(NC[C@H]2C[C@H](NC(=O)C3(C(N)=O)CC3)C2)cn1 1114811537 FFWRXBDFXJCCIU-MGCOHNPYSA-N 314.349 -0.080 30 20 DBED C[C@H](CN(C)C(=O)CN1CCOCC1)N=c1cc[nH]cc1C#N 1115679258 ZIRPBRXFUHKCLF-CYBMUJFWSA-N 317.393 -0.034 30 20 DBED N#CCNC(=O)COC(=O)Cc1csc(N2CCCC2=O)n1 1116010615 FDEORPHQYKILNG-UHFFFAOYSA-N 322.346 -0.005 30 20 DBED COC(=O)[C@]1(F)CCN(C(=O)C(=O)Nc2cnn(CC#N)c2)C1 1116336101 GMTJKDDLLIEQMD-ZDUSSCGKSA-N 323.284 -0.541 30 20 DBED C#CCOCCNC(=O)C(=O)N(C)CCCNC(=O)C1CCC1 1117390490 BJDIUDPLLGYHLD-UHFFFAOYSA-N 323.393 -0.483 30 20 DBED CN(C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)C1 1118249202 FCPZSVCAAIEABJ-WFASDCNBSA-N 308.382 -0.726 30 20 DBED COC[C@H]1C[C@@H](O)CN1C(=O)C(=O)N1CCC(C)(C#N)CC1 1118324924 YFXIHTUNICVGAF-VXGBXAGGSA-N 309.366 -0.253 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N1CCC[C@]12CCOC2=O 1119198148 BOTMYSGHYDZOMQ-MLGOLLRUSA-N 322.361 -0.161 30 20 DBED COCC#CCNC1CC2(C1)CC(NC(=O)Cn1cnnn1)C2 1120587786 RZTVZUNCTLXNLA-UHFFFAOYSA-N 318.381 -0.660 30 20 DBED C#CCNC(=O)CNC1CC2(C1)CC(NC(=O)[C@@H](C)C#N)C2 1120841324 NXNWQPWVWMZOMM-KWDKGFIESA-N 302.378 -0.088 30 20 DBED Cc1ncncc1C(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1 1121085784 BPEQNCYLUWNVEB-JTQLQIEISA-N 313.321 -0.929 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](CO)Nc1cncc(C(=O)N(C)C)n1 1121214382 ZTUUHPIQSFXSEB-VHSXEESVSA-N 320.353 -0.773 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)C[C@H]2COC(=O)C2)cn1 1121302698 GQWSLPGEJRLTPJ-MFKMUULPSA-N 318.333 -0.205 30 20 DBED N#Cc1nc(=N[C@@H](CO)CNC(=O)/C=C/c2ccc[nH]2)cc[nH]1 1121359995 PFJXTUCDFOWXSX-AAOUONPWSA-N 312.333 -0.299 30 20 DBED CCn1nncc1C(=O)NC[C@@H](CO)Nc1nccnc1C#N 1121472560 TUZLVJHDKWQCII-VIFPVBQESA-N 316.325 -0.838 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)c2csnn2)nn1 1122362935 BOJLALMKCRTDCC-MRVPVSSYSA-N 305.323 -0.597 30 20 DBED CN(C)CCCC(=O)NC[C@H](CO)Nc1ccc(C#N)nn1 1122416076 COTWSWIPLPSRSN-GFCCVEGCSA-N 306.370 -0.421 30 20 DBED CN(C[C@H](O)CNc1cnc(C#N)cn1)C(=O)Cn1cccn1 1124116276 GARLHGKHJDZBER-GFCCVEGCSA-N 315.337 -0.524 30 20 DBED C=CCCO[C@H](C)C(=O)NCCNCC(=O)N1CCOCC1 1124488501 PHYIHSWKKIKCDG-CYBMUJFWSA-N 313.398 -0.468 30 20 DBED CN(C[C@H](O)CNc1cncc(C#N)n1)C(=O)c1n[nH]cc1F 1124721846 RFJNGUCLKUJTDU-SECBINFHSA-N 319.300 -0.245 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)[C@@H]1CCCN1C 1124838818 ZZNZHYVVYOJYQF-ZDUSSCGKSA-N 309.414 -0.451 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)c1ccnc(O)c1 1125604498 CIVNKQRSBCRTFI-UHFFFAOYSA-N 319.365 -0.131 30 20 DBED C#CCCCC(=O)NCCN[C@@H](C)C(=O)NC(=O)NCC=C 1126356398 NHZHXPBDFOIDAQ-LBPRGKRZSA-N 308.382 -0.104 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@H]1OCC[C@H]1C(C)C 1127542644 IFGLLSGJWZTHKQ-IHRRRGAJSA-N 309.410 -0.109 30 20 DBED COC[C@@H](C)C(=O)N[C@H]1CCc2nnc(CNCC#N)n2CC1 1127959300 YRQPJDAKGXMXQD-NEPJUHHUSA-N 320.397 -0.005 30 20 DBED C#CCCN[C@@H]1CN(C(=O)Cn2cccn2)C[C@@H]1n1ccnn1 1129577972 CJNVXQGKAICPHY-KGLIPLIRSA-N 313.365 -0.460 30 20 DBED C#CCN[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]1n1ccnn1 1130137090 IKGWVSUBBVMIFQ-KGLIPLIRSA-N 304.398 -0.407 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CCCN1CC(C)C 1130708666 CVQHXAYEENJYPY-HUUCEWRRSA-N 322.453 -0.050 30 20 DBED CC[C@@H](NC(C)=O)C(=O)N1CCC(=O)NCCN(CC#N)CC1 1131386023 RESXSKSZBYKSQO-CYBMUJFWSA-N 323.397 -0.925 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1cc(CCC)[nH]n1 1132168920 VDPZXIQWEHJVON-LLVKDONJSA-N 305.382 -0.181 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1cnc(O)cc1OC 1134021077 QSMMRVVRKCOWBE-JTQLQIEISA-N 320.349 -0.747 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)C[C@@H](C)NCc1cnon1 1134131115 QSAPCVWYXQFNOU-MNOVXSKESA-N 307.354 -0.418 30 20 DBED C[C@@H](C[C@H](C)NC(=O)Cc1ccn(C)n1)NCC(=O)NCC#N 1134338557 XMUHEXHFCFTIRT-RYUDHWBXSA-N 320.397 -0.525 30 20 DBED COCC#CCNCCNC(=O)[C@H]1CCCS(=O)(=O)C1 1134643565 CFMRBUFMAOBOTC-LBPRGKRZSA-N 302.396 -0.833 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cnc(C)nc1C(C)C 1134751831 HVBXOUPRNQTIOR-UHFFFAOYSA-N 317.393 -0.023 30 20 DBED COCc1ncsc1C(=O)NCCNCC(=O)NCC#N 1134999021 HADRKYOLYJVQFK-UHFFFAOYSA-N 311.367 -0.751 30 20 DBED C#CCN[C@H](C)C[C@@H](C)NC(=O)CN1C(=O)NC(=O)C1(C)C 1135881916 DXIUHRJCCBOINB-GHMZBOCLSA-N 308.382 -0.177 30 20 DBED COC[C@@H](C)C(=O)N1CC2(CCN(CC(=O)NCC#N)C2)C1 1147206805 WXXGSQHNFVLHGH-GFCCVEGCSA-N 308.382 -0.557 30 20 DBED CN1CC[C@H](CC(=O)NC[C@H]2CN(CC#N)CCCO2)C1=O 1149890827 VQLOXRMXNBWCJR-OLZOCXBDSA-N 308.382 -0.415 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)COC2CCN(C)CC2)C1 1150508526 VHLYAMMEEYTGGD-MRXNPFEDSA-N 323.437 -0.063 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@@H](C)n1nc(C)cc1C 1153302653 WLMGIVKCRXZRBE-UONOGXRCSA-N 319.409 -0.095 30 20 DBED C#CCCN(C)C[C@H]1CCCCN1C(=O)CN1C(=O)CNC1=O 1158838073 RYYQNBLXCHWFIN-CYBMUJFWSA-N 320.393 -0.126 30 20 DBED C=CCN(C)C[C@H]1CCCCN1C(=O)c1cn(CC(N)=O)nn1 1158914926 WFKDYHNGDKYAED-GFCCVEGCSA-N 320.397 -0.124 30 20 DBED C#CCNC(=O)CNCC1(CCNC(=O)CCOCC#C)CC1 1164504617 FSQZQNYFFYWYTF-UHFFFAOYSA-N 319.405 -0.348 30 20 DBED C[C@@H](CCCCNCC(=O)NCC#N)NC(=O)Cc1cc[nH]n1 1169940795 WYUYXQQUPKPWJX-LBPRGKRZSA-N 320.397 -0.143 30 20 DBED COCC#CCNCCCNC(=O)c1ccnc2nc(C)nn12 1171036610 DSRSMDGVTOHYDU-UHFFFAOYSA-N 316.365 -0.208 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)C2CC(OC)C2)[C@H]1C 1178960515 CPRDCOSZHREJAP-ABXWRUBCSA-N 307.394 -0.260 30 20 DBED C[C@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)Cc1cnoc1 1179388810 SLSQEHSWMCZZHG-JQWIXIFHSA-N 305.338 -0.564 30 20 DBED CCNC(=O)NC(=O)[C@H](C)N[C@@H]1CCN(C(=O)C#CC2CC2)C1 1182388091 AFUHGEGHYKAUFN-WCQYABFASA-N 320.393 -0.176 30 20 DBED C#CCCN[C@@H]1CCN(C(=O)[C@H]2CCc3nnc(O)n3C2)C1 1183740014 WEEAZFRACCDXQA-NWDGAFQWSA-N 303.366 -0.240 30 20 DBED C[C@@H]1CN(C(=O)CCN(C)C)CC[C@@H]1CNCC(=O)NCC#N 1185071788 BQBSVHOFZYKNGI-ZIAGYGMSSA-N 323.441 -0.348 30 20 DBED CCc1nocc1C(=O)N1CC[C@@H](NCC(=O)NCC#N)C1 1185494145 WZNBBOUYSPRKAG-SNVBAGLBSA-N 305.338 -0.319 30 20 DBED Cc1cc(C(=O)N2CC[C@H]3CN(CC(=O)NCC#N)C[C@H]32)no1 1186749168 FEJAOXGVGWWDPN-WCQYABFASA-N 317.349 -0.231 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)[C@@H](CC)OC)[C@@H]2C1 1187142498 ACZMWUUBIKWNCT-BFHYXJOUSA-N 307.394 -0.307 30 20 DBED CN(CC(=O)NCC#N)[C@H]1CCN(C(=O)CC2CCOCC2)C1 1189460812 NFXFCYQSGDDNHO-AWEZNQCLSA-N 322.409 -0.024 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](N(C)CCC[C@H](C)O)C1 1189759688 BRIOWBBPOSKYGT-KBPBESRZSA-N 309.410 -0.180 30 20 DBED Cc1nc(C(=O)N2CC[C@H](N(C)CC(=O)NCC#N)C2)co1 1189810702 ZIZDRMGFJWBQSX-NSHDSACASA-N 305.338 -0.231 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2cnnc(C)c2)C1 1189817355 FFAIMMUXBCTVLL-CQSZACIVSA-N 315.377 -0.319 30 20 DBED C=CCNC(=O)[C@H](C)N(C)[C@H]1CCN(C(=O)c2ncn(C)n2)C1 1189983111 FGNZHBFBHNMURS-RYUDHWBXSA-N 320.397 -0.348 30 20 DBED CN(CC(=O)NCC#N)[C@@H]1CCN(C(=O)c2ccns2)C1 1190424544 XUHZFZUYDWEAOJ-SNVBAGLBSA-N 307.379 -0.071 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2c(C)ncn2C)C1 1190790443 ZJPUIPTXLIFGEL-ZDUSSCGKSA-N 317.393 -0.376 30 20 DBED COCC#CCN(C)[C@@H]1CCN(C(=O)c2cnc(O)n2C)C1 1191707413 NCTJDEDVBCPPHF-GFCCVEGCSA-N 306.366 -0.078 30 20 DBED C#CCCCCC(=O)N[C@@H]1CN(CC(=O)N2CCC2)C[C@H]1O 1192291495 ZYVWPDQZQHITFL-ZIAGYGMSSA-N 307.394 -0.426 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H](N(C)[C@H](C)C(=O)NC)C2)nn1 1192723302 GNSXXJUEJDSIQE-NEPJUHHUSA-N 320.397 -0.255 30 20 DBED Cc1nc([C@@H](C)N2C[C@@H](O)[C@H](NC(=O)C#CC(C)C)C2)n[nH]1 1192762313 VYZHQUASZAWUMD-RAIGVLPGSA-N 305.382 -0.005 30 20 DBED CC#CCN(C)[C@@H]1CCN(C(=O)[C@H]2CN(C(C)=O)CCO2)C1 1193786065 DINNGWNYWQADEV-HUUCEWRRSA-N 307.394 -0.210 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)CCOC[C@H]2CCCO2)C1 1194342177 DPHIBOXZVZCYLH-RBSFLKMASA-N 310.394 -0.243 30 20 DBED Cc1nnc(CC(=O)N2CCCN(CC(=O)NCC#N)CC2)o1 1195710436 SSHQLMODMJLZGS-UHFFFAOYSA-N 320.353 -0.905 30 20 DBED Cc1nc[nH]c1C(=O)N1CCCN(CC(=O)NCC#N)CC1 1198402284 IEMWPMSOFYRVDL-UHFFFAOYSA-N 304.354 -0.494 30 20 DBED C=CCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3nncn3C2)C1 1198998102 SMNLALMSZZFSHH-MGPQQGTHSA-N 319.409 -0.032 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)c2snnc2C)CC1 1199282414 HPTWZTJJYWXGEI-UHFFFAOYSA-N 321.406 -0.210 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CCN(C(=O)[C@H](C)COC)CC1 1199796772 JXRIPTAKIOSPTC-CHWSQXEVSA-N 309.410 -0.013 30 20 DBED COCCC(=O)N[C@@H]1C[C@H](NCC(=O)NCC#N)C12CCC2 1202271093 UJZKGEQJOFDROA-NWDGAFQWSA-N 308.382 -0.320 30 20 DBED C#CCNC(=O)CN[C@@H]1C[C@@H](NC(=O)c2cn[nH]c2)C12CCC2 1202489990 PJJKVDVTFPTWGM-CHWSQXEVSA-N 315.377 -0.210 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@H](NC(=O)CCN(C)C)C12CCC2 1203358983 LWQGFQCPZISALO-KBPBESRZSA-N 320.437 -0.296 30 20 DBED N#CCNC(=O)CN[C@H]1C[C@H]2CC[C@H]1N(C(=O)c1cnco1)C2 1204606740 KMMQGCWUMVYICN-GRYCIOLGSA-N 317.349 -0.103 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)c2ccnnc2)CC1 1206380684 RSQYZAQCEDZIPJ-UHFFFAOYSA-N 315.377 -0.332 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(CC[C@H]2CCOC2)C[C@H]1C 1206887543 PQCFTFOJMRFQBV-QLFBSQMISA-N 321.421 -0.011 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@H](C)NC(=O)CC)C1 1208121312 NEEJCKSTQYVFQE-QWHCGFSZSA-N 324.425 -0.216 30 20 DBED CN(C)[C@@H](C(=O)N1CCC[C@@H](NCC(=O)NCC#N)C1)C1CC1 1208335612 WQJVLTJIURHPAO-UKRRQHHQSA-N 321.425 -0.453 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)Cc2ccc[nH]2)[C@H](C)C1 1211183697 FNFXTAUBEKAOKQ-TZMCWYRMSA-N 302.378 -0.257 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(Cc2nnc(C)o2)C[C@H]1OC 1212032201 PCCVEWDGYWYHPQ-VXGBXAGGSA-N 310.354 -0.104 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)C2CC(C)C2)[C@H](OC)C1 1212095030 PLADANYCTDVVKY-NWINJMCUSA-N 307.394 -0.403 30 20 DBED COCC#CCN1C[C@@H](NC(=O)[C@@H]2CCCCN2C)[C@H](OC)C1 1212465015 AIVXIMIVMREMIF-OWCLPIDISA-N 323.437 -0.064 30 20 DBED C=C[C@](C)(O)CC(=O)N1C[C@@H](NCCOCCO)[C@H](C)C1 1214533560 OKTIRRFOZQPOFA-NFAWXSAZSA-N 300.399 -0.241 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@H](C)CC(N)=O)C[C@H]1C 1215314125 FEVJTCJTAMMIRZ-IJLUTSLNSA-N 310.398 -0.763 30 20 DBED Cc1ccsc1C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@@H]1O 1219101984 RTEWFYFJGXRUSD-MNOVXSKESA-N 322.390 -0.529 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)CCC(C)C)C1 1219173780 VKLAQMUIIXKMDI-MCIONIFRSA-N 309.410 -0.278 30 20 DBED C=CCCC(=O)N[C@@H]1CN(CCCS(=O)(=O)CC)C[C@@H]1O 1219346843 YBUCXGNIZXSKHA-OLZOCXBDSA-N 318.439 -0.061 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CN(Cc2nc(C(F)F)no2)C[C@@H]1O 1219379784 YXBYCVLAGYCGLH-RNJXMRFFSA-N 315.280 -0.172 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H](C)c2ccco2)C1 1220342457 CJAUJWRDPNMUMP-XQQFMLRXSA-N 321.377 -0.153 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CN(CCCOC)C[C@@H]2O)nn1 1220504631 KRYYMAMSOCFOLB-YPMHNXCESA-N 309.370 -0.725 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)c2coc(C)n2)CC1 1227005639 HPRXHDNONOMNOB-UHFFFAOYSA-N 304.350 -0.073 30 20 DBED C=C(Cl)CN1CCC(NC(=O)CNS(=O)(=O)NC)CC1 1228457672 WPKZZHLWIDDOCQ-UHFFFAOYSA-N 324.834 -0.627 30 20 DBED C#CCOCCC(=O)N(C)C[C@H]1CCN1Cc1cnnn1C 1234255257 KJZSYMHPPJYSGX-CYBMUJFWSA-N 305.382 -0.112 30 20 DBED C#CCOCCC(=O)N(C)C[C@@H]1CCN1CC(=O)NCC#N 1234256154 TXWKTKLPNAKSEH-ZDUSSCGKSA-N 306.366 -0.801 30 20 DBED CN(C)C(=O)CCCNC(=O)C(=O)Nc1ccc(C#N)cn1 1261239445 OVDUHYGTRXBEEY-UHFFFAOYSA-N 303.322 -0.124 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@H](NCC(=O)NC(N)=O)C2)cc1 1317303611 ZZZQMZFCKRZNMQ-ZDUSSCGKSA-N 314.345 -0.333 30 20 DBED COCCN(C)CCNC(=O)C(=O)N1CCC[C@@](C)(C#N)C1 1322241512 OXZABLUPUVIRGP-HNNXBMFYSA-N 310.398 -0.167 30 20 DBED C#CCSCCNC(=O)C(=O)N[C@@H]1CCC[C@@H]1C(=O)NC 1323044503 CQWJJLMHAOTGIU-WDEREUQCSA-N 311.407 -0.500 30 20 DBED C#CCOCCNC(=O)C(=O)N1CC2(CCNCC2)C[C@H]1C 1325829725 FSQPFRRAIHQHFD-CYBMUJFWSA-N 307.394 -0.257 30 20 DBED C#CCSCCN1C(=O)NC2(CCS(=O)(=O)CC2)C1=O 1326152858 WBROCKNGJIIMCC-UHFFFAOYSA-N 316.404 -0.148 30 20 DBED C#CC1CCN(C(=O)C(=O)N2C[C@H](O)C[C@@H](C(=O)OC)C2)CC1 1328446125 VYMXHTGNAKKUKL-CHWSQXEVSA-N 322.361 -0.759 30 20 DBED C=CCOCCNC(=O)C(=O)N1C[C@@H](C)O[C@@]2(CCOC2)C1 1330190586 YBMYIXSWSLDGLK-DOMZBBRYSA-N 312.366 -0.288 30 20 DBED C#CC1CCN(C(=O)C(=O)NCc2nc(C(N)=O)cs2)CC1 1330449819 RCMZIWPCNGOWIF-UHFFFAOYSA-N 320.374 -0.270 30 20 DBED N#CC[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[C@@H](C(N)=O)C2)C1 1330623262 RARBPNMMJNLQCD-TUAOUCFPSA-N 306.366 -0.091 30 20 DBED C#CCNCC(=O)N1CCN(c2ncccc2C(N)=O)CC1 1341663195 QAAAJYXOMSHZEE-UHFFFAOYSA-N 301.350 -0.948 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CCOCC[C@@H]2C)nn1 1354527780 LMYSWBZCYNINDJ-NSHDSACASA-N 307.354 -0.282 30 20 DBED C=CCn1c([C@H](C)CO)nnc1N1CCS(=O)(=O)CC1 1356073918 CSIIOEIJIJAQLE-SNVBAGLBSA-N 300.384 -0.205 30 20 DBED C=CCNC(=O)[C@@H](C#N)C(=O)C1CCN(S(C)(=O)=O)CC1 1357542490 HLEHMOOUZVZCJD-NSHDSACASA-N 313.379 -0.331 30 20 DBED N#Cc1cn(CCC(=O)N2CCCC[C@H]2CCO)c(=O)nc1O 1361806694 AZADBRPCKPFSTI-LBPRGKRZSA-N 320.349 -0.026 30 20 DBED C[C@@H]1C[C@@H](NC(=O)Cn2cc(C#N)c(O)nc2=O)c2nccn21 1362825421 DXJLRDKKGDJPQK-PSASIEDQSA-N 314.305 -0.161 30 20 DBED N#Cc1ccc(S(=O)(=O)N[C@@H](C(N)=O)c2ccccn2)cn1 1363922218 YILCSPWHJABIMP-GFCCVEGCSA-N 317.330 -0.147 30 20 DBED Cn1cc(C#N)c(=O)n(Cc2cccc(S(C)(=O)=O)c2)c1=O 1365253160 PWEMAJBSPAMCIW-UHFFFAOYSA-N 319.342 -0.130 30 20 DBED COC(=O)NCC(=O)NC[C@H](C)NC(=O)c1ccc(C#N)[nH]1 1377535133 XGZVGLVPLHGWKM-QMMMGPOBSA-N 307.310 -0.523 30 20 DBED C[C@@H](CNC(=O)Cc1nc2ncccn2n1)NC(=O)[C@H](C)C#N 1377973403 UWZJHVOYNBVBEK-ZJUUUORDSA-N 315.337 -0.553 30 20 DBED C=C(Cl)CN1CC(O)(CNC(=O)c2ccc3nnnn3c2)C1 1380604851 FEDQMSXZOGFWBL-UHFFFAOYSA-N 322.756 -0.347 30 20 DBED C=C(Cl)CN1CC(O)(CNC(=O)c2cc(C(N)=O)ccn2)C1 1380652878 QEIZELRBUBOXDG-UHFFFAOYSA-N 324.768 -0.291 30 20 DBED C[C@H](C#N)C(=O)N(C)CCN(C)CC(=O)NC1CCOCC1 1406078736 NTIGDHCERVZPJO-GFCCVEGCSA-N 310.398 -0.169 30 20 DBED N#Cc1cn(CCNC(=O)NCCn2cccn2)c(=O)nc1O 1414552783 MMBCWXXPHZNOGK-UHFFFAOYSA-N 317.309 -0.984 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CN(C)C(=O)Cc1cccnc1 1425793980 YSNRGDZOSWDLJD-DGCLKSJQSA-N 304.350 -0.281 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CCN(C(=O)CN(C)C(=O)C2CC2)C1 1428868934 GECPFTRNUQUGIA-NWDGAFQWSA-N 320.393 -0.021 30 20 DBED N#C[C@H]1CN(C(=O)c2nc(O)nc(O)c2N)CCN1C1CC1 1438407979 CTQPAUXWBRIOSF-QMMMGPOBSA-N 304.310 -0.718 30 20 DBED CN(C)[C@@H](CNC(=O)CCn1cc(C#N)c(O)nc1=O)C1CC1 1441843711 QSLOFGLWAMUCKF-LBPRGKRZSA-N 319.365 -0.333 30 20 DBED C[C@H](NC(=O)Cn1cc(C#N)c(O)nc1=O)[C@H]1CCCOC1 1466325582 GSKNECWNENKYJF-UWVGGRQHSA-N 306.322 -0.248 30 20 DBED C#CCNC(=O)CN1CCC[C@@H](NC(=O)[C@@H](C)OCC#C)C1 1479902915 DSLHLSOWWSVHOV-ZIAGYGMSSA-N 305.378 -0.645 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNCc1ccnc(N(C)C)c1 1482715456 GVVFSUIXDSVSQA-WCQYABFASA-N 305.382 -0.126 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)c2cc(C(N)=O)ccn2)C1 1494074890 ZEUUSKDBCKSGHT-FBIMIBRVSA-N 315.333 -0.283 30 20 DBED N#CCNC(=O)CN[C@H]1CCN(C(=O)CCc2ccncn2)C1 1566766249 FQGOTYFOGLELOZ-ZDUSSCGKSA-N 316.365 -0.761 30 20 DBED COC(=O)[C@@H]1CCN(c2cnc(C#N)c(-c3nn[nH]n3)n2)[C@H]1C 1579442304 DOYMQXHNCINBCO-JGVFFNPUSA-N 314.309 -0.084 30 20 DBED C#CC[C@H](NS(=O)(=O)c1cnn(CCOC)c1)C(=O)O 1588428366 LZQFDPOOJOZYKO-JTQLQIEISA-N 301.324 -0.716 30 20 DBED C#CCSCCNC(=O)C1(C(=O)O)CCS(=O)(=O)CC1 1588433151 LGZMXKOZBWMYTM-UHFFFAOYSA-N 319.404 -0.251 30 20 DBED C=CCOCC(=O)NC[C@@H](C)N=c1cc[nH]cc1-c1nn[nH]n1 1588673886 CKSJPGJVSQTAMJ-SNVBAGLBSA-N 317.353 -0.197 30 20 DBED CN1CCN(S(=O)(=O)CC(C)(C)C#N)C[C@H](C(=O)O)C1 1598621900 VPISHMZLNVLIEC-SNVBAGLBSA-N 303.384 -0.186 30 20 DBED C#CC[C@H](NC(=O)c1cc(S(=O)(=O)NC)cs1)C(=O)O 1602691893 CSXZWDGEORBPAN-QMMMGPOBSA-N 316.360 -0.138 30 20 DBED CO[C@@]1(CNC(=O)[C@@](C)(C#N)CC(=O)O)CCS(=O)(=O)C1 1604487655 SAZXTLGDNHHDPI-VXGBXAGGSA-N 318.351 -0.689 30 20 DBED C=CCOC[C@@H](NC(=O)c1ccc(S(N)(=O)=O)o1)C(=O)O 1609442995 NRSWBHOFKAPOQL-SSDOTTSWSA-N 318.307 -0.687 30 20 DBED N#CCNC[C@@H]1CCCCN1C(=O)CCCn1c(O)nnc1O 1714130408 YICTVHRCCOZHDV-NSHDSACASA-N 322.369 -0.036 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1C[C@H](NC(=O)[C@H](C)NC(=O)CC)C1 1752632504 HPNCDMDTZFCOLG-CYDGBPFRSA-N 322.409 -0.724 30 20 DBED C=CCCN1CCC[C@H](CNC(=O)Cn2cnc(C(N)=O)n2)C1 1752783649 MEUCQNSMHDLLSP-GFCCVEGCSA-N 320.397 -0.219 30 20 DBED Cn1cc(C(=O)N[C@@H]2CCC[C@@H](NCC(=O)NCC#N)C2)cn1 1752961863 JCBLQLHPAZBBQJ-CHWSQXEVSA-N 318.381 -0.310 30 20 DBED CC(=O)N[C@H](C)C(=O)N1CCC[C@@H](N(C)CC(=O)NCC#N)C1 1752986613 BLCVPPFGXHGLAM-DGCLKSJQSA-N 323.397 -0.926 30 20 DBED CN(CCNC(=O)C12CCCN(CCC1)C2)CC(=O)NCC#N 1753053580 PZZNCTUZLLTEJE-UHFFFAOYSA-N 321.425 -0.450 30 20 DBED C#CCNC(=O)CN(CCC)CCNC(=O)c1ccc(O)nc1 1753149534 FLGUJHXQBLSZMP-UHFFFAOYSA-N 318.377 -0.022 30 20 DBED C=CCN1CC[C@@H](NCCN(C)C(=O)Cc2nnc(C)o2)C1=O 1753185647 TXRUBSARKSOVMR-GFCCVEGCSA-N 321.381 -0.245 30 20 DBED CCn1ncc(C(=O)N(C)[C@@H]2CCN(CC(=O)NCC#N)C2)n1 1753434660 GNZCNECGMUNGLZ-LLVKDONJSA-N 319.369 -0.916 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H](CNC(=O)c1[nH]nnc1C)C(C)C 1753834003 ICRYSOGJJKQXKU-VXGBXAGGSA-N 320.397 -0.405 30 20 DBED C=CCN1CC[C@@H](NC[C@@H](O)CNC(=O)c2cc(C)no2)C1=O 1753905396 UTSDNVONEMAWIN-VXGBXAGGSA-N 322.365 -0.550 30 20 DBED C#CCCNC/C=C/CNC(=O)[C@H]1CCc2nnnn2CC1 1754183779 PNEINROUHDDTPO-IHVVCDCBSA-N 302.382 -0.089 30 20 DBED C[C@@H](CNCC(=O)NCC#N)NC(=O)C[C@H](C)n1ccnc1 1754286066 WMMAXPRSOJERLQ-RYUDHWBXSA-N 306.370 -0.432 30 20 DBED C=CCOCCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)CN1CCOCC1 1754424141 RDNPLNMOLZPVRG-IJEWVQPXSA-N 309.410 -0.290 30 20 DBED C#CCN(C(=O)CCn1ccnn1)C1CCN(C[C@H](C)O)CC1 1754636714 XHXADWGQGXPATF-AWEZNQCLSA-N 319.409 -0.025 30 20 DBED C#CCN1CC[C@@](O)(CNC(=O)COCc2ccnn2C)C1 1754753116 AUCKHILFFOQYBX-OAHLLOKOSA-N 306.366 -0.877 30 20 DBED C#CCNC(=O)CN1C[C@H]2CN(C(=O)c3cscn3)C[C@H]2C1 1754840234 SOSRMVPUPZZRQS-TXEJJXNPSA-N 318.402 -0.104 30 20 DBED C=CCNC(=O)CN1CCC[C@@](CO)(NC(=O)C(F)F)C1 1754851115 FFESKWWVCUHQRR-CYBMUJFWSA-N 305.325 -0.503 30 20 DBED C=CCN[C@]1(CO)CCCN(C(=O)[C@@H]2COCCN2CC)C1 1755085668 LKGNVSVKWJSGQI-GOEBONIOSA-N 311.426 -0.164 30 20 DBED CN(CC(C)(C)CNCC#N)C(=O)CN1C(=O)CN(C)C1=O 1755286839 CATJRZDVVXXVGG-UHFFFAOYSA-N 309.370 -0.522 30 20 DBED C=CCNC[C@H]1CC[C@@H](NC(=O)CCn2cc[nH]c(=O)c2=O)C1 1755745877 KFKCXTJOFCJLPY-QWHCGFSZSA-N 320.393 -0.013 30 20 DBED C=CCNC(=O)CN(C)C[C@@H](O)CN(C)C(=O)c1ccncc1 1755798224 QTJPFLZACLSPAY-CQSZACIVSA-N 320.393 -0.252 30 20 DBED C=CCOCC(=O)NC[C@@H](CO)NC(=O)[C@@H](F)C(F)(F)F 1756520535 YFQQISSDGLMCNI-IONNQARKSA-N 316.251 -0.317 30 20 DBED C#Cc1ccc(C(=O)N(C)C[C@H](O)CN(C)C(=O)C(N)=O)cc1 1756687629 LINGXTBXEYVXOJ-ZDUSSCGKSA-N 317.345 -0.956 30 20 DBED N#CCSCC(=O)N1C[C@H](O)[C@H](NC(=O)[C@H]2CC2(F)F)C1 1757170301 LWXHIIVPNCMNKU-HLTSFMKQSA-N 319.333 -0.414 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CCCCCN(C(=O)C(N)=O)C1 1757493176 BKJNFTCVIWYWJD-NWDGAFQWSA-N 311.382 -0.050 30 20 DBED COC[C@H](NC(=O)CCc1c(C)nc(O)c(C#N)c1C)C(N)=O 1771632672 AGSYTRMAQOTHQQ-LBPRGKRZSA-N 320.349 -0.175 30 20 DBED C=CCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)NC=O)C2)C1 1781254838 MIVUVBPEUBLUFE-IUODEOHRSA-N 309.366 -0.473 30 20 DBED CC[C@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)S)C2)C1 1783889027 OSEWSIZLDUJTTQ-SUNKGSAMSA-N 316.423 -0.095 30 20 DBED O=C(O)C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1C[C@@H](O)C1 1797722849 RAOARIXKYNOPED-HALBRFILSA-N 320.345 -0.517 30 20 DBED C#CC(=O)N1CC2(CCCN2C(=O)c2nccnc2OC)C1 1842220614 MATCOTGPWHALIY-UHFFFAOYSA-N 300.318 -0.065 30 20 DBED C[C@@H](O)C(=O)N1CC2(CCCN2C(=O)C(C)(C)NCCC#N)C1 1842921142 OEKCEOHNMGNXRW-GFCCVEGCSA-N 322.409 -0.148 30 20 DBED C#CC(=O)N1CC2(CCCN2C(=O)c2nc3ncccn3n2)C1 1843719541 DRFZWDGHUBZQHT-UHFFFAOYSA-N 310.317 -0.426 30 20 DBED C[C@@H](S)C(=O)N1CC2(CCCN2C(=O)C2=NNC(=O)C2)C1 1844224966 VJWSXARUMDZSDX-MRVPVSSYSA-N 310.379 -0.616 30 20 DBED CCOC(=O)N1CCN(S(=O)(=O)N(C)CCC#N)CC1 27935597 OJPFYZJVKWACJF-UHFFFAOYSA-N 304.372 -0.149 30 20 DBED Cn1ncc2c(=O)n(CC(=O)N(CCC#N)CCC#N)cnc21 31754941 SVZPREWPCURXOD-UHFFFAOYSA-N 313.321 -0.214 30 20 DBED COc1ccc(C#N)cc1NC(=O)C(=O)NCC(=O)NC1CC1 50148531 KLTPSSFPKTZTEU-UHFFFAOYSA-N 316.317 -0.100 30 20 DBED N#Cc1ccc(NC(=O)C(=O)N2CCO[C@H](C(N)=O)C2)cc1 51891716 NATDUOUEGQTGDL-NSHDSACASA-N 302.290 -0.791 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(COC)CC2)C1=O 264772011 GKBVWNXNKZJOJF-UHFFFAOYSA-N 323.349 -0.152 30 20 DBED Cc1cc(C#N)ccc1S(=O)(=O)N1CCO[C@@H](C(N)=O)C1 265914941 YTDMZBDEHYMABB-LLVKDONJSA-N 309.347 -0.259 30 20 DBED N#C[C@@H]1COCCN1C(=O)CN1C(=O)NC2(CCCC2)C1=O 267249645 YZUPJRDVTLAULZ-SNVBAGLBSA-N 306.322 -0.398 30 20 DBED CCn1cc(C#N)c(=O)n(C[C@@H](O)CO[C@H](C)COC)c1=O 278621175 KMIIPXUUFFBHTR-ZYHUDNBSSA-N 311.338 -0.686 30 20 DBED C[C@H](CNC(=O)NCCn1cnc(C#N)n1)CN1CCOCC1 286887610 DQICYWGYVLEWMA-GFCCVEGCSA-N 321.385 -0.583 30 20 DBED C#CCNc1nc(N[C@@H](C=C)CO)nc(N[C@H](C=C)CO)n1 291162904 QEOBGOUZKZWMCY-PHIMTYICSA-N 304.354 -0.166 30 20 DBED C[C@H]1[C@@H](NS(=O)(=O)c2cncc(C#N)c2)CCS1(=O)=O 292968796 KZAVWWNACMPHEA-KWQFWETISA-N 315.376 -0.193 30 20 DBED CN1CCOC[C@@H]1/C(O)=N/C/C(O)=N/CCN1CCOCC1 329120508 KFZKCCSFDGAEEV-GFCCVEGCSA-N 314.386 -0.438 30 20 DBED C[C@@]1(CN/C(O)=N/CCN2CCCS2(=O)=O)CCOC1 329409530 AFIPZEOEGQXJQN-LBPRGKRZSA-N 305.400 -0.048 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N[C@@H](CO)c1cnn(C)c1 330396476 AWWYOXZZLBPFFT-ONGXEEELSA-N 301.372 -0.478 30 20 DBED Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N(C)CC#N 330736310 NBDYBEAGCVHTIX-QMMMGPOBSA-N 300.340 -0.060 30 20 DBED CCN(CCC#N)S(=O)(=O)N(C)[C@@H]1CCS(=O)(=O)C1 336897059 OAVREZXLSZVEEE-SNVBAGLBSA-N 309.413 -0.414 30 20 DBED C[C@H](C[S@](C)=O)N(C)S(=O)(=O)N1CCO[C@H](C#N)C1 336951600 UWUUHLVWKYBZFM-MHNGPXOMSA-N 309.413 -0.846 30 20 DBED N#Cc1ccc2c(c1)N(C(=O)C(=O)N[C@@H]1CCCNC1=O)CC2 339834249 KMIDRCUMOLJRDY-GFCCVEGCSA-N 312.329 -0.158 30 20 DBED N#Cc1ccc(C(=O)NC[C@H]2CCC[C@@]23NC(=O)NC3=O)[nH]1 343980237 MFUIQMOKRVSLLY-XLKFXECMSA-N 301.306 -0.006 30 20 DBED C=CCNC(=O)CNC(=O)Nc1cnn(CC(=O)N(C)C)c1 348241784 HFLKJMKXVLZNSC-UHFFFAOYSA-N 308.342 -0.605 30 20 DBED CNS(=O)(=O)c1ccc(C(=O)N2CC(O)(CC#N)C2)cn1 356555872 PSYOIOSYIILONF-UHFFFAOYSA-N 310.335 -0.910 30 20 DBED C[C@H]1[C@@H](C)N(C(=O)C(=O)Nc2ccn(CCC#N)n2)CCN1C 442311764 XDUWRUWWNWIJIL-NWDGAFQWSA-N 318.381 0.286 30 20 DBED CC[C@@](COC)(NC(=O)CNc1ccc(C#N)cn1)C(=O)OC 457278339 HXSVPGMDYNHMHO-HNNXBMFYSA-N 320.349 0.450 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC(N(C)S(C)(=O)=O)CC1 490853579 TVNKXASJUCSCHL-NSHDSACASA-N 301.412 -0.520 30 20 DBED C#CCN(CC#N)C(=O)CN(C)S(=O)(=O)c1cccnc1 490960766 CSXVKDKFLWZWMB-UHFFFAOYSA-N 306.347 -0.313 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)Cn2cc(Cl)cn2)CC1 491141421 AHYADKPFTNSHPM-UHFFFAOYSA-N 323.784 -0.570 30 20 DBED CC1CC(C#N)(C(=O)N2CCC[C@@H](CNS(N)(=O)=O)C2)C1 531557525 KZGHGSORMXPKAW-AKJDGMEZSA-N 314.411 -0.042 30 20 DBED C[C@@H](C#N)CNC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 543804432 YJKMCGCFBFGJEV-LBPRGKRZSA-N 321.381 -0.378 30 20 DBED C[C@@H](Oc1ccccc1C#N)C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1O 563639089 XSFDZVOIUKLEGN-YUSALJHKSA-N 324.358 -0.400 30 20 DBED C=CCN(C)S(=O)(=O)CCCS(=O)(=O)Nc1cnc[nH]1 573387015 XYNFGLQWDDALLK-UHFFFAOYSA-N 322.412 -0.011 30 20 DBED N#Cc1ncn(CCNC(=O)[C@]2(c3ccccc3)CNC(=O)C2)n1 582310075 YBMHVLKYVAMZJI-INIZCTEOSA-N 324.344 -0.276 30 20 DBED N#Cc1ccc(S(=O)(=O)NCC(=O)NCCC(=O)O)cc1 583693765 IIHYMUJDUJGQJC-UHFFFAOYSA-N 311.319 -0.573 30 20 DBED CCNC(=O)N1CC[C@@H](NC(=O)N2CC[C@@](O)(CC#N)C2)C1 591988187 PQQCAYIIQCTEHG-RISCZKNCSA-N 309.370 -0.150 30 20 DBED CC1(C)CN(S(=O)(=O)N2CCO[C@H](C#N)C2)CCCO1 619710039 QYACADMUMRCAGS-LLVKDONJSA-N 303.384 -0.044 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CC(NS(C)(=O)=O)C1 637117274 NWEGLYWTOHICIS-PWSUYJOCSA-N 317.411 -0.089 30 20 DBED CC#CC[C@H](CO)NC(=O)NC1CCN(CC(=O)N(C)C)CC1 645277393 UZILBUDTTTUGKG-CQSZACIVSA-N 324.425 -0.388 30 20 DBED C=CCN(CC(=O)NCCC(=O)O)[C@@H]1CCS(=O)(=O)C1 736108552 ZFVNBFYHZOTNLF-SNVBAGLBSA-N 304.368 -0.748 30 20 DBED COC(=O)CCn1nc(C)c(C=NNS(C)(=O)=O)c1C 764704260 MGEHXYWCCFMPJZ-UHFFFAOYSA-N 302.356 -0.054 30 20 DBED N#CC1(CS(=O)(=O)NC(=O)CN2CCOCC2)CCCC1 778714470 UIWKUGKPCDNVLW-UHFFFAOYSA-N 315.395 -0.151 30 20 DBED C=C(C)CN(CC)C(=O)[C@@H](C)OC(=O)Cn1ncn(C)c1=O 781264799 SKZKSIGHBDMNDM-LLVKDONJSA-N 310.354 -0.062 30 20 DBED C[C@H](C(=O)OCC(=O)NC1(C#N)CCC1)N1C(=O)CCC1=O 784209155 LZEJKIPJQONEHV-SECBINFHSA-N 307.306 -0.370 30 20 DBED CC(C)(C#N)CS(=O)(=O)N1CCN(C(C)(C)C(N)=O)CC1 790033678 SUSVGHCAOGHTBU-UHFFFAOYSA-N 316.427 -0.253 30 20 DBED C=C[C@](C)(O)C(=O)N1CCN(C[C@@H]2CCCS2(=O)=O)CC1 820437868 CITILGUEOBFQIF-JSGCOSHPSA-N 316.423 -0.355 30 20 DBED C#C[C@H](NC(=O)N1C[C@@H]2COC[C@]2(C(=O)O)C1)[C@@H]1CCCO1 851650444 HCCFHYNWTGQHTK-OXJKWZBOSA-N 308.334 -0.090 30 20 DBED C=CCS(=O)(=O)CCNC(=O)NCCCc1nc[nH]n1 853975988 BKGULQZVDDGBQR-UHFFFAOYSA-N 301.372 -0.363 30 20 DBED C#CC[C@@H](CCOC)NS(=O)(=O)c1cc(C(N)=O)n(C)c1 859424898 ALZDLDAEMGVWJV-JTQLQIEISA-N 313.379 -0.169 30 20 DBED COc1ccnc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](O4)[C@@H]3C2=O)n1 872427019 ABAXKZYAEJEGDU-FUAUIPCOSA-N 300.274 -0.243 30 20 DBED N#CCCN1CCN(C(=O)C(=O)NC[C@@H]2CCC=CO2)CC1 875194627 IHQWJNOVQRVCAU-ZDUSSCGKSA-N 306.366 -0.147 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)[C@H]3CCC(=O)N3)C2)[nH]1 937841228 XPZNXWWWWTVZHF-CMPLNLGQSA-N 315.333 -0.504 30 20 DBED CC#CCN1CC[C@@H](NC(=O)Cn2ccc(O)nc2=O)[C@@H](C)C1 942313045 FECRXACRNDUSHP-QWHCGFSZSA-N 318.377 -0.201 30 20 DBED C=CCN1CC[C@H](NC(=O)Cn2ccc(O)nc2=O)[C@@H](C)C1 942313609 KAOOGRZMAQFIMJ-RYUDHWBXSA-N 306.366 -0.039 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(CC1)CN(C(=O)Cn1nccn1)C2 945030301 IFZQSNJPVVUNAG-LBPRGKRZSA-N 316.365 -0.111 30 20 DBED C[C@H](C#N)C(=O)N1CCC2(CC1)CN(C(=O)Cc1nc[nH]n1)C2 945030520 KRHLZOYKPATMGL-LLVKDONJSA-N 316.365 -0.042 30 20 DBED CC(=O)N1CC(C(=O)N[C@H]2[C@H]3C[C@H]2N(C(=O)C#CC2CC2)C3)C1 947018636 CLCPOTMMZMPESV-BJJXKVORSA-N 315.373 -0.406 30 20 DBED CC#CCN1CC[C@@H](NC(=O)Cn2ncn(C)c2=O)C[C@H]1C 947463690 LHMXJAZZIAECQF-CHWSQXEVSA-N 305.382 -0.426 30 20 DBED N#Cc1cc(C(=O)NC[C@H]2CCN2C(=O)Cn2cncn2)c[nH]1 949497088 DWJJROBOGILWIM-GFCCVEGCSA-N 313.321 -0.491 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCN1C(=O)CC(N)=O 950216614 NMUAFYCZPKVINU-MJVIPROJSA-N 309.366 -0.440 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@](C)(NC(=O)c2cnn(C)c2N)C1 956844551 CZNRCOJRAHUAHA-YMTOWFKASA-N 304.354 -0.117 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@](C)(NC(=O)c2ccc(C(N)=O)[nH]2)C1 957613737 XSXHJWKFFQZQJS-RFAUZJTJSA-N 317.349 -0.006 30 20 DBED C=CCN1C[C@H](O)[C@H](CNC(=O)c2cnc3cccnn23)C1 958468368 XDSXLYZDXYVPKJ-YPMHNXCESA-N 301.350 -0.062 30 20 DBED C[C@H]1CN(C(=O)CC(N)=O)C[C@@H]1CNC(=O)c1cc(C#N)c[nH]1 959411791 RAALOHCDXLGUMV-ONGXEEELSA-N 317.349 -0.414 30 20 DBED Cc1nccc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)n1 963734635 DCNZUTMLOMLEGW-AXTRIDKLSA-N 303.322 -0.754 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC2(CN(C(=O)C3=COCCO3)C2)C1 965475406 WLERCNRHBCNXKU-NSHDSACASA-N 321.333 -0.526 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1NC(=O)c1nnn(C)n1 966408234 OEOGYIKOMGSHOI-KOLCDFICSA-N 302.338 -0.800 30 20 DBED C#Cc1ccccc1CC(=O)N[C@@H]1CN(C(=O)C(N)=O)C[C@@H]1C 966748391 BXGHRMVFHPTCBU-SMDDNHRTSA-N 313.357 -0.341 30 20 DBED CCN(C(=O)c1nc[nH]n1)C1CN(C(=O)c2cc(C#N)c[nH]2)C1 968235004 GYJGCAIPJJMPCD-UHFFFAOYSA-N 313.321 -0.009 30 20 DBED C#Cc1cncc(C(=O)N[C@H]2C[C@H](NC(=O)c3cnn[nH]3)C2)c1 973439234 SHLVVWOFJAVUCE-HAQNSBGRSA-N 310.317 -0.128 30 20 DBED C#CCN1C[C@@H]2CC[C@H](NC(=O)C3CS(=O)(=O)C3)C[C@H]2C1 979722241 BOWOUFBRSTUMPB-OBJOEFQTSA-N 310.419 -0.119 30 20 DBED C#CCN[C@@H]1CCN(C(=O)Cc2c(C)nc(O)nc2O)[C@H]1C 987238375 RTDWBEZHNDOQAU-CMPLNLGQSA-N 304.350 -0.049 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H]1CCN(C(=O)C(N)=O)C1 988274097 FDPXPYMKXLPYMB-UTUOFQBUSA-N 309.366 -0.630 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2COCCN2C)C1 990926375 BNYURTSZUOGDMW-MCIONIFRSA-N 323.393 -0.765 30 20 DBED O=C(N[C@@H]1CCN(C(=O)C#CC2CC2)C[C@H]1O)c1cnns1 991306364 NLSDVASTYSFJHN-GHMZBOCLSA-N 320.374 -0.357 30 20 DBED CC1(C)CN(C(=O)CCn2cc[nH]c(=O)c2=O)C[C@@H]1NCC#N 996418565 MRNKAIANAAINJQ-NSHDSACASA-N 319.365 -0.723 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)C3=COCCO3)C2)nc1 997071139 YMKYMJNLPFTHCU-UHFFFAOYSA-N 313.313 -0.108 30 20 DBED C=CCn1cc(C(=O)N2CCC(N[C@@H](C)C(N)=O)CC2)nn1 997072825 BVAMHQUZUFQENP-JTQLQIEISA-N 306.370 -0.468 30 20 DBED C=CC(C)(C)C(=O)N1CC(NC(=O)CN2C(=O)CN(C)C2=O)C1 1000136400 HQHAGINPJDAZSZ-UHFFFAOYSA-N 322.365 -0.580 30 20 DBED C=CCN[C@H]1CCCN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 1000480209 NJIPUODDXAKSEJ-NSHDSACASA-N 316.365 -0.162 30 20 DBED N#CCN1CC=C(CNC(=O)[C@@H]2CCc3nnnn3CC2)CC1 1001178538 DJUIRBQENAZHJW-CYBMUJFWSA-N 315.381 -0.103 30 20 DBED CN(C[C@H]1CCCN1C(=O)C(N)=O)C(=O)c1c[nH]c(C#N)c1 1002912750 XDIAIQHWYAQKQM-LLVKDONJSA-N 303.322 -0.565 30 20 DBED O=C(NCC1CN(C(=O)C#CC2CC2)C1)[C@@H]1CCS(=O)(=O)C1 1003182023 LPPQYKYGDAJBLM-CYBMUJFWSA-N 324.402 -0.591 30 20 DBED O=C(C#CC1CC1)N1CCN(C(=O)CCn2ccnn2)CC1 1011052031 WIMCQBZOIADFMG-UHFFFAOYSA-N 301.350 -0.248 30 20 DBED C[C@@H](C(=O)N1CCN(C(=O)[C@H](C)C#N)CC1)N1C(=O)CCC1=O 1011251394 PQSLXDOWTMOBFI-MNOVXSKESA-N 320.349 -0.646 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCN([C@@H](CC)C(N)=O)C2)nn1 1015810874 SZOSCHLMXAFWCE-JQWIXIFHSA-N 306.370 -0.468 30 20 DBED C=CCN1CC[C@@H](N2CC[C@H](NC(=O)Cc3nc[nH]n3)C2)C1=O 1015967625 KPVOOBZDMMGEHW-NWDGAFQWSA-N 318.381 -0.675 30 20 DBED CN1CC[C@@H](N[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)C1=O 1018724527 YAHKSNODOLGHEW-WCQYABFASA-N 301.350 -0.079 30 20 DBED C=C(Cl)CN[C@H]1C[C@H](NC(=O)Cn2ccc(O)nc2=O)C1 1020359265 PPCLSEUCCMVSRF-MGCOHNPYSA-N 312.757 -0.062 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](N[C@H]2CCC(=O)NC2=O)C1 1020604677 JSBYDCCYUNSLAP-KVSVUVNWSA-N 321.377 -0.381 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2[C@@H]1CCNC1=O 1032453538 DUJCKCPMDBSKCH-XQLPTFJDSA-N 316.405 -0.742 30 20 DBED CC#CCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(-n2cnnn2)cn1 1032539291 PERLTIKPCLDRFI-KBPBESRZSA-N 323.360 -0.021 30 20 DBED CN(C(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1)[C@H]1CCN(CC#N)C1 1033077374 QXGAKFAZVBCBQO-RYUDHWBXSA-N 316.365 -0.181 30 20 DBED CC#CCN1CCO[C@@H](CNC(=O)[C@H]2COCCN2CC)C1 1035425298 UZQXXWVWZHNRTE-LSDHHAIUSA-N 309.410 -0.453 30 20 DBED CC#CCN1CCO[C@H](CNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1035455813 ZWGUQERSHSEWEN-XUWVNRHRSA-N 322.405 -0.122 30 20 DBED CC#CCN1CCO[C@H](CNC(=O)c2cnc(OC)nc2)C1 1035569047 HHVQJJHFWGHYHP-CYBMUJFWSA-N 304.350 -0.061 30 20 DBED N#CCN1CCO[C@@H](CNC(=O)c2cccn3c(O)nnc23)C1 1035572007 OMQBEDKPQLCPDH-JTQLQIEISA-N 316.321 -0.611 30 20 DBED CC#CCN1CCO[C@@H](CNC(=O)[C@H]2CCCC(=O)N2C)C1 1035594879 AHWOVDPKAVLDSW-UONOGXRCSA-N 307.394 -0.162 30 20 DBED C#CCCN1C[C@H]2C[C@H]1[C@H]2NC(=O)CN1CCCS1(=O)=O 1037425109 IDFBYZZXCBTMHX-DYEKYZERSA-N 311.407 -0.766 30 20 DBED NC(=O)CCCC(=O)N1CC[C@](O)(CNC(=O)C#CC2CC2)C1 1039684581 AOFKXQDTRZWDQS-INIZCTEOSA-N 321.377 -0.865 30 20 DBED N#Cc1ccc(N2C[C@@H]3CCN(C(=O)c4nc[nH]n4)[C@@H]3C2)nn1 1040685900 MTMTXBQCSFDJAQ-GXSJLCMTSA-N 310.321 -0.183 30 20 DBED C=CCCC(=O)N1CC[C@](O)(CNC(=O)Cc2ncc[nH]2)C1 1040695275 QOEUZGVZPJQNOG-HNNXBMFYSA-N 306.366 -0.002 30 20 DBED Cc1cc(C(=O)N2CC[C@](O)(CNC(=O)[C@@H](C)C#N)C2)n[nH]1 1040759599 BNMKXLAYFLMCOS-XPTSAGLGSA-N 305.338 -0.429 30 20 DBED N#Cc1cnc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCCOC3)C2)cn1 1040945733 VUBZCAKLQXEDBM-RAIGVLPGSA-N 317.349 -0.559 30 20 DBED CCOCC(=O)NCC1(O)CN(C(=O)c2c[nH]c(C#N)c2)C1 1041303981 RMQNVWNCPOFJIQ-UHFFFAOYSA-N 306.322 -0.774 30 20 DBED CC[C@@H](OC)C(=O)NCC1(O)CN(C(=O)c2cc(C#N)c[nH]2)C1 1041905016 PFQCSQWEPTVUOB-GFCCVEGCSA-N 320.349 -0.386 30 20 DBED C#CCN1CC[C@@H]2CCN(C(=O)CN3CCN(C)C(=O)C3)C[C@H]21 1042121040 DEGOEZBQYLVBSN-HUUCEWRRSA-N 318.421 -0.684 30 20 DBED CN1CCN(CC(=O)N2CC[C@@H]3CCN(CC#N)[C@H]3C2)CC1=O 1042124114 ZFGHKCKBEXDILV-KBPBESRZSA-N 319.409 -0.793 30 20 DBED Cc1cncc(C(=O)NCC2(O)CN(C(=O)[C@@H](C)C#N)C2)c1 1042289863 QLTXJRPQMHRICB-NSHDSACASA-N 302.334 -0.147 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)C2=CCOCC2)C1 1042722111 DUNNLOABOMBWHB-LBPRGKRZSA-N 322.361 -0.939 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)c2c(C)ccn2C)C1 1042774966 RAGFZAWEEZLJKR-UHFFFAOYSA-N 321.377 -0.161 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)c2cncnc2)C1 1042802895 OVKORBWOBSVKBS-UHFFFAOYSA-N 302.334 -0.417 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)[C@H]2OCC[C@H]2C)C1 1043041358 HUAZSQJHDLPJFK-AGIUHOORSA-N 324.377 -0.861 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)c2cc[nH]c2)C1 1043390738 DXDOCBNJBWHALV-LLVKDONJSA-N 305.334 -0.644 30 20 DBED CCc1c(C(=O)NCC2(O)CN(C(=O)[C@H](C)C#N)C2)cnn1C 1043818509 NDAVULIVVNZQJN-SNVBAGLBSA-N 319.365 -0.555 30 20 DBED C=C(C)CN1CC(N(C)C(=O)CN2C(=O)C(=O)N(C)C2=O)C1 1043995355 AFBJXLGDLNOQLG-UHFFFAOYSA-N 308.338 -0.874 30 20 DBED C#CCN1CC[C@@H](N2CCN(C(=O)CCn3cncn3)CC2)C1 1046003246 ZQLWSBGXIQZMSM-OAHLLOKOSA-N 316.409 -0.480 30 20 DBED N#CCN1CC[C@@H](N2CCN(C(=O)CO[C@H]3CCOC3)CC2)C1 1046026711 FBAQVHVLIADIRT-CABCVRRESA-N 322.409 -0.466 30 20 DBED N#Cc1nccnc1N[C@H]1C[C@H](CNC(=O)[C@H]2CCC(=O)N2)C1 1046749842 UVIDJSIPOKRWRC-GMTAPVOTSA-N 314.349 -0.066 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCC1(O)CN(C(=O)C(C)(F)F)C1 1046814282 IDOMMMDQNNPCGA-ZJUUUORDSA-N 318.320 -0.078 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2cncn2C)C1 1047533156 ZYHBOFWBYHTGIR-UXOAXIEHSA-N 302.378 -0.340 30 20 DBED C=CCOCC(=O)N(C)[C@H]1CN(C(=O)CC(C)(C)O)C[C@@H]1O 1048554757 GHFHGSMXJVXXKL-RYUDHWBXSA-N 314.382 -0.620 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cnnn2C)C1 1048765269 FYCVTGIEXWCYME-RYUDHWBXSA-N 307.354 -0.575 30 20 DBED COCC(=O)N1CCC[C@H](N(CCO)c2nccnc2C#N)C1 1049131574 AXJMPFXVKILVBI-LBPRGKRZSA-N 319.365 -0.216 30 20 DBED C=C(C)CN1C[C@H]2CN(C(=O)[C@H]3CCS(=O)(=O)N3)C[C@H]2C1 1049219048 CVPFJPIDNBNIER-FRRDWIJNSA-N 313.423 -0.356 30 20 DBED N#CCN1CCN([C@H]2CCN(C(=O)Cc3ccon3)C2)CC1 1051998608 WGVDZQWIVWBRDB-AWEZNQCLSA-N 303.366 -0.041 30 20 DBED O=C(C#CC1CC1)N1CCOC2(CN(Cc3cnon3)C2)C1 1053249847 DVLQDYDVZWTARZ-UHFFFAOYSA-N 302.334 -0.104 30 20 DBED C=CCN1CC2(CC[C@H](CNC(=O)C3CC(=O)NC(=O)C3)O2)C1 1053678659 IUBNMTVCVSSHMZ-GFCCVEGCSA-N 321.377 -0.425 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)[C@@]3(C)CCNC(=O)C3)CO2)C1 1053843249 IEHQJVVTYSVONI-CJNGLKHVSA-N 319.405 -0.115 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@@H]2CN(C(=O)c3cnn[nH]3)C[C@@H]2C1 1055339583 DUYIUNHNWMFNMF-UTUOFQBUSA-N 317.349 -0.627 30 20 DBED C[C@H](C(=O)N1CC[C@@H](N=c2cc[nH]c(C#N)n2)C1)S(C)(=O)=O 1056814554 RSFIFLQBLXSDCR-NXEZZACHSA-N 323.378 -0.784 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)Cc1ccn(C)n1 1057194133 YPEUBOGUPCCKFU-UHFFFAOYSA-N 324.381 -0.898 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)CC[C@@H]1CCOC1 1057313531 XJNSNQNBNRALRU-QWHCGFSZSA-N 311.382 -0.100 30 20 DBED N#Cc1cnc(N[C@@H]2CCCN(C(=O)[C@H]3CCNC3=O)C2)cn1 1057724987 PZGHEKFUAJTUEB-PWSUYJOCSA-N 314.349 -0.113 30 20 DBED CN1C[C@H](C(=O)N[C@H]2C[C@H](N=c3cc[nH]cc3C#N)C2)CC1=O 1059446395 UICVOFPACRCLPW-RAIGVLPGSA-N 313.361 -0.087 30 20 DBED Cn1nnc(C(=O)N2CC[C@H](CNc3cncc(C#N)n3)C2)n1 1060965130 ZSMLGEFRGPRQJI-SECBINFHSA-N 313.325 -0.554 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 1060967224 JQGUBSBLZPSZIT-NSHDSACASA-N 313.361 -0.099 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H]1COCCN1C(=O)COCC=C 1061585132 ROPZCMDITSJGDP-KBPBESRZSA-N 324.377 -0.429 30 20 DBED C=CCCC(=O)N1CCOC[C@@H]1CNC(=O)C1(C(N)=O)CC1 1061838363 ITBVSRMUAIPJKO-NSHDSACASA-N 309.366 -0.438 30 20 DBED C=CCOCC(=O)NCC1(NC(=O)c2cc(=O)n(C)o2)CCC1 1062702850 GQRDUWLLRPGJGP-UHFFFAOYSA-N 323.349 -0.050 30 20 DBED N#Cc1nccc(N2CC[C@]3(CCN(C(=O)C(N)=O)C3)C2)n1 1064640818 UIKVMDBOBNOQMO-AWEZNQCLSA-N 300.322 -0.738 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CN(C(=O)COCC2CC2)CCO1 1064900330 QVSRKUAFJQQBBF-YPMHNXCESA-N 309.366 -0.084 30 20 DBED COCCOCC(=O)N1CCO[C@@H](CNC(=O)C#CC2CC2)C1 1064984845 AGGHOQLBHMGSCI-AWEZNQCLSA-N 324.377 -0.594 30 20 DBED C#CCCCC(=O)N1CCO[C@H](CNC(=O)CCCC(N)=O)C1 1065090812 QICXPWIYHVMXIW-CYBMUJFWSA-N 323.393 -0.211 30 20 DBED C=CC(C)(C)CC(=O)N1CCO[C@@H](CNC(=O)CC(N)=O)C1 1065194903 ICWGWXKSMAJKRN-NSHDSACASA-N 311.382 -0.192 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(C(=O)Cn2ccnc2)CCO1 1065305021 HPYVLANJIUUNBN-AWEZNQCLSA-N 316.361 -0.360 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CC[C@@H](CNC(=O)CCN(C)C)O2)C1 1068624711 RCTTWZHFVXGOHG-STQMWFEESA-N 322.409 -0.026 30 20 DBED CC(C)[C@@H](O)C(=O)N[C@@H]1COC2(C1)CN(C(=O)C#CC1CC1)C2 1068848012 OVOQIKRPMDXALX-DZGCQCFKSA-N 320.389 -0.097 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@@H](NC(=O)[C@H](C)OC)C1 1070635952 CESIFDGURNOMTF-NWDGAFQWSA-N 309.366 -0.732 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)c2ccnn2C)CC1 1070946989 DNUGLMPCTIPAFF-UHFFFAOYSA-N 303.366 -0.683 30 20 DBED COC[C@H](C)N1CCNC(=O)CCN(C(=O)[C@@H](C)C#N)CC1 1070948152 APXZPVSTVFTBCT-STQMWFEESA-N 310.398 -0.169 30 20 DBED C#CCN1CC[C@@]2(C1)CN(C(=O)C1(C(N)=O)CC1)C[C@@H](C)O2 1071203899 JCDZEYBNMKTNJH-IUODEOHRSA-N 305.378 -0.423 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CCCN(C(=O)C2(C(N)=O)CC2)C1 1071215081 PXRSPXBQIGKDKA-ABAIWWIYSA-N 323.393 -0.314 30 20 DBED C=CCOCC(=O)N[C@H]1CN(C(=O)CCn2cncn2)C[C@H]1C 1071618180 URTBIPYDEZGEDS-OLZOCXBDSA-N 321.381 -0.166 30 20 DBED C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1NC(=O)Cn1cncn1 1071658227 LUEOHLICYWZCRW-GHMZBOCLSA-N 322.394 -0.502 30 20 DBED C[C@H](C#N)C(=O)N1CCC(C)(NC(=O)CS(C)(=O)=O)CC1 1073228501 BQYGNOQJURDSNT-SNVBAGLBSA-N 315.395 -0.312 30 20 DBED C[C@H](C(N)=O)N1CCCO[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 1073565316 DBPHUNMEBCWMNV-ZYHUDNBSSA-N 319.365 -0.419 30 20 DBED Cc1ncnc(O)c1C(=O)N1CC[C@H]2OCCN(CC#N)[C@H]2C1 1074316939 HYPFWZPHAWFDCU-NWDGAFQWSA-N 317.349 -0.071 30 20 DBED CCn1cc(C(=O)N2CC[C@H]3OCCN(CC#N)[C@H]3C2)nn1 1074372164 SJTLQFZYSFQSPA-QWHCGFSZSA-N 304.354 -0.263 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCN(C(=O)c2nc[nH]n2)[C@@H](C)C1 1074990274 DBSHCWMGEXEBAU-NWDGAFQWSA-N 319.365 -0.046 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)c1cc(C)[nH]n1 1076217810 JIXWNRXBWATYFJ-JTQLQIEISA-N 319.365 -0.518 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2cnoc2-c2cnn(C)c2)C1 1077440554 PRBQVJVSSFXLPO-CHWSQXEVSA-N 315.333 -0.517 30 20 DBED CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)CN2CCCNC2=O)C1 1080413005 NPCBPWKJFLLMMQ-NSHDSACASA-N 321.381 -0.379 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)c2cc[n+]([O-])cc2)C[C@H]1O 1081333180 PEOPHJHEBKKVHV-ZIAGYGMSSA-N 319.361 -0.165 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)c2ncccn2)C[C@@H]1O 1081438389 BWIZVHSRNISANV-OLZOCXBDSA-N 316.361 -0.171 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(C(=O)c2cc[nH]c2)C[C@H]1O 1081475320 ZORBCYLHOHHJKM-ZIAGYGMSSA-N 301.346 -0.023 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1cncc2ncn(C)c12 1081812141 BVABFGLEOCSLIO-CHWSQXEVSA-N 314.349 -0.079 30 20 DBED C=CCN1C[C@@H](NC(=O)[C@@H]2CCCCN2C(N)=O)[C@H](OC)C1 1082319868 MVBCDRANMLXXOM-FRRDWIJNSA-N 310.398 -0.079 30 20 DBED Cc1cc(OCC(=O)N2CCO[C@@H]3CN(CC#N)C[C@@H]32)no1 1083111061 KXEPHULPWWPQAC-NWDGAFQWSA-N 306.322 -0.203 30 20 DBED COc1cc(C(=O)N2CCO[C@@H]3CN(CC#N)C[C@@H]32)nn1C 1083138103 GKTWFEKSYAFZGR-NWDGAFQWSA-N 305.338 -0.523 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)c2ccn(CC(F)F)n2)C1 1083549705 WHVOWCUYJVEIDU-NEPJUHHUSA-N 312.320 -0.054 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)[C@]2(C)CCNC2=O)C1 1083774483 JIKGZFSTQUEABW-GBIKHYSHSA-N 301.774 -0.574 30 20 DBED Cn1cc(-c2n[nH]cc2C(=O)N[C@@H]2CN(CC#N)C[C@@H]2O)cn1 1083936647 ULBLWVQCENBPJM-NEPJUHHUSA-N 315.337 -0.891 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCCCN(C)C2=O)C1 1083947269 NEKRDSBIFJMHHH-MCIONIFRSA-N 307.394 -0.571 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)[C@@H]3CCc4nnc(O)n4C3)[C@@H]2C1 1084463769 DTEUWSYYSDPIMX-JHJVBQTASA-N 315.377 -0.288 30 20 DBED C=CCN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCS(=O)(=O)N1 1085426768 WSNBJPGDFABJSB-IJLUTSLNSA-N 301.412 -0.119 30 20 DBED C#CCN1CC[C@@H]1CN(C)C(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1 1085818038 OMEXSTDZUKMQJE-HZSPNIEDSA-N 307.394 -0.212 30 20 DBED C#CCN[C@H]1C[C@H](CNC(=O)c2cn(CC(=O)N(C)C)nn2)C1 1086558762 PNVMRKSLNDCYKQ-HAQNSBGRSA-N 318.381 -0.903 30 20 DBED C[C@H](C[C@@H](C)NC(=O)c1ncn(C)n1)N=c1cc[nH]c(C#N)n1 1089290885 KGMBQBKUFDILDQ-NXEZZACHSA-N 314.353 -0.092 30 20 DBED COCCn1cc(C(=O)N[C@@H]2CCN(CC#N)C[C@H]2O)c(C)n1 1090258287 MMDDIOXOVDPGPN-ZIAGYGMSSA-N 321.381 -0.474 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2cccn3nnnc23)[C@H](O)C1 1090295169 LWQBPVQVAQESMC-CHWSQXEVSA-N 314.349 -0.687 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2ccnc3ccnn23)[C@@H](O)C1 1090324550 XFRLBOBQSFTQIZ-JSGCOSHPSA-N 313.361 -0.082 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2ccn3nnnc3c2)[C@@H](O)C1 1090486622 ONKUIKKPWNUZSH-OLZOCXBDSA-N 314.349 -0.687 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(c2cncc(Cl)n2)C[C@H]1O 1090488985 VEWZMFNYMRYZBL-HBNTYKKESA-N 324.768 -0.166 30 20 DBED CCN(CC)CC(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1091108409 CBWAUPVJSSISQR-NEPJUHHUSA-N 318.381 -0.644 30 20 DBED C[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1CNC(=O)CNC(N)=O 1092321780 IEDZSMBBBGZZMR-ZYHUDNBSSA-N 316.365 -0.190 30 20 DBED N#Cc1cccnc1N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CNC(N)=O 1092799770 FMMGNPRARJLCMF-WOPDTQHZSA-N 314.349 -0.153 30 20 DBED N#Cc1cnccc1N1CCN(C(=O)CCNC(N)=O)CC1 1093155946 ZMSQXWZJBFMSLG-UHFFFAOYSA-N 302.338 -0.340 30 20 DBED CS(=O)(=O)CC(=O)NC1[C@H]2CN(c3ccc(C#N)nc3)C[C@H]12 1093224598 AKEYKFJZXSZLEY-RYUDHWBXSA-N 320.374 -0.451 30 20 DBED C=CCN1CC[C@@H](NCC[C@@H]2CN(C(=O)C(N)=O)C[C@H]2C)C1=O 1093286228 YOWOWCUOMWQQJO-JHJVBQTASA-N 322.409 -0.667 30 20 DBED CN(C)C(=O)CC(=O)NC1[C@H]2CN(c3nccnc3C#N)C[C@H]12 1093358715 UXSIWXXRUAYDAJ-UWVGGRQHSA-N 314.349 -0.623 30 20 DBED C#CCNC(=O)CC(=O)NCCNc1ncc([N+](=O)[O-])cc1C 1093558519 ZNTPSFMKXQCFJO-UHFFFAOYSA-N 319.321 -0.034 30 20 DBED N#Cc1cncc(NCCNC(=O)[C@H]2CCCS(=O)(=O)C2)n1 1093866514 FGRFYFUSTPOOCW-JTQLQIEISA-N 323.378 -0.299 30 20 DBED N#Cc1cnc(NCCNC(=O)CC2CS(=O)(=O)C2)cn1 1093963217 AXLXYZUMJQDNLB-UHFFFAOYSA-N 309.351 -0.689 30 20 DBED C=CCN1CC(n2cc(CNC(=O)c3cnc(O)n3C)nn2)C1 1094311111 JBEDQJOCVMVBTM-UHFFFAOYSA-N 317.353 -0.310 30 20 DBED Cc1cc(C#N)nc(NCCCNC(=O)Cc2nc[nH]n2)n1 1094572326 NAIVRBNGSQEMMU-UHFFFAOYSA-N 300.326 -0.064 30 20 DBED C#CCCN1CCN(C(=O)c2cc[nH]n2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094612078 XGCAQTADNNIDGI-QWHCGFSZSA-N 322.390 -0.644 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)c3cnccn3)CC2=O)C1 1094698247 YZOWAPVIOUBPMX-NSHDSACASA-N 301.350 -0.323 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)c3conc3C)CC2=O)C1 1094780006 VETOAIBTLLMAOB-LLVKDONJSA-N 302.334 -0.369 30 20 DBED CC(=O)NCC(=O)N1CCC[C@@H](Nc2cncc(C#N)n2)C1 1095272642 FCQWWDSFFCYBIX-LLVKDONJSA-N 302.338 -0.113 30 20 DBED CN(CCCNC(=O)[C@@H]1CCCNC1=O)c1nccnc1C#N 1095665409 KCIFOJCKZNEUAF-LLVKDONJSA-N 316.365 -0.183 30 20 DBED CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCN(c2nc(C)cc(C#N)n2)C1 1096316904 KDDATTWSJQAGQH-CMPLNLGQSA-N 316.365 -0.124 30 20 DBED N#Cc1ccc(N2CC[C@@H](NC(=O)CCc3nc[nH]n3)C2)nn1 1096366479 GYMBVEAZPVEBPM-LLVKDONJSA-N 312.337 -0.206 30 20 DBED C[C@@H](CC(N)=O)C(=O)NC[C@H](N=c1cc[nH]c(C#N)n1)C1CC1 1096768012 CSCKOSPAKHSYHT-ONGXEEELSA-N 316.365 -0.412 30 20 DBED C[C@H](CNC(=O)Cn1cnnc1O)N=c1cc[nH]cc1C#N 1097787527 IBHNRGLXCLMBLV-SECBINFHSA-N 301.310 -0.711 30 20 DBED C[C@H](CNC(=O)C[C@H]1CC(=O)NC1=O)N=c1cc[nH]cc1C#N 1097944509 ZRDQPRYSXWZQBN-ZJUUUORDSA-N 315.333 -0.655 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)CCn2cncn2)[C@@H](O)C1 1099679192 WAZZEKBXRNULON-KGLIPLIRSA-N 323.397 -0.578 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(CC(=O)NC2CC2)C[C@@H]1O 1099740891 KRYRQAVSCTWSNS-OLZOCXBDSA-N 311.382 -0.981 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(Cc2noc(CC)n2)C[C@@H]1O 1099741590 VZLTWLPZTGPKAE-NEPJUHHUSA-N 324.381 -0.114 30 20 DBED Cc1cocc1C(=O)N[C@H]1CCN(CC(=O)NCC#N)C[C@H]1O 1099949946 WPQNMZSNLRPECA-QWHCGFSZSA-N 320.349 -0.607 30 20 DBED CN(CCNC(=O)c1ccc(C(N)=O)[nH]1)c1cnc(C#N)cn1 1100329081 KFUUDVIZEFEKOP-UHFFFAOYSA-N 313.321 -0.359 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CC2(CN(CC#N)C2)n2ccnc21 1101623542 GESNIOQUAHPPHA-SNVBAGLBSA-N 302.338 -0.885 30 20 DBED CN(C[C@H]1CCN(C(=O)CNC(N)=O)C1)c1nccnc1C#N 1102428190 UFGCTILWBBKGLE-SNVBAGLBSA-N 317.353 -0.699 30 20 DBED COC(=O)NCC(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(C#N)n1 1102537708 RYVMJBBVIDXNOG-UWVGGRQHSA-N 316.321 -0.506 30 20 DBED C[C@H](CN=c1cc[nH]cc1C#N)CNC(=O)[C@@H](C)S(C)(=O)=O 1104255492 AHYGSQGGVSRIDE-GHMZBOCLSA-N 324.406 -0.028 30 20 DBED Cc1cnn(CC(=O)N2CC(n3cc(CNCC#N)nn3)C2)c1 1105178569 DGOJJRIKSUDQQC-UHFFFAOYSA-N 314.353 -0.520 30 20 DBED CC(=O)N[C@H](C)C(=O)N(C)CCN(C)c1cnc(C#N)cn1 1105319275 GFTLYIPIRGTUQU-SNVBAGLBSA-N 304.354 -0.233 30 20 DBED CN(CCN(C)c1ccc(C#N)nn1)C(=O)[C@]1(C)CCC(=O)N1 1105553154 XDKNJDWNVPLZQX-HNNXBMFYSA-N 316.365 -0.088 30 20 DBED C=CCOCC(=O)NC[C@H](O)CNc1cc(C)nc(CO)n1 1105747519 HQUYHTGWIYDVBI-LLVKDONJSA-N 310.354 -0.631 30 20 DBED N#Cc1nc(=NC[C@@H](O)CNC(=O)c2ncccc2O)cc[nH]1 1105802462 NPYSJJUVVHFBPR-SECBINFHSA-N 314.305 -0.926 30 20 DBED N#Cc1nccnc1NC[C@H](O)CNC(=O)CC1OCCCO1 1105810004 LQUOPCVGKVVHET-SNVBAGLBSA-N 321.337 -0.610 30 20 DBED N#Cc1nccnc1NC[C@@H](O)CNC(=O)c1cnnc(O)c1 1105993501 OAEPLTRYTOIKGW-SECBINFHSA-N 315.293 -0.953 30 20 DBED CC(C)(C(N)=O)C(=O)NC[C@@H](O)CNc1ccc(C#N)cn1 1105997166 KDTWBLZRCAAISU-JTQLQIEISA-N 305.338 -0.646 30 20 DBED C[C@H]1CCCN1CC(=O)NC[C@H](O)CNc1nccnc1C#N 1106108039 FVUDNFXEXZJUSM-RYUDHWBXSA-N 318.381 -0.278 30 20 DBED C#CCOCCC(=O)N1C[C@@H](C)[C@H](CN[C@@H](C)C(=O)NC)C1 1106116487 FWKKYQNQZBDNRF-HZSPNIEDSA-N 309.410 -0.155 30 20 DBED C#CCNC[C@@H]1CN(C(=O)[C@H](C)NS(=O)(=O)CC)C[C@H]1C 1106158791 CNIAHYPWOIXONE-FRRDWIJNSA-N 315.439 -0.369 30 20 DBED C[C@@]1(CNC(=O)c2ccoc2)CN(CC(=O)NCC#N)CCO1 1107735576 CZQILJGQSGUTHC-OAHLLOKOSA-N 320.349 -0.260 30 20 DBED C#CCCN1CCO[C@@](C)(CNC(=O)c2cc(=O)n(C)cn2)C1 1108005298 PAOYFJAXKZAGOA-INIZCTEOSA-N 318.377 -0.376 30 20 DBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H]1CCCOC1 1109046133 FHMNZVDQMHSNCW-CRWXNKLISA-N 320.393 -0.226 30 20 DBED CN(C)C(=O)CC(=O)N[C@@H]1[C@H]2C[C@H]1N(c1ccnc(C#N)n1)C2 1109743491 TTWIRRVFHWHOHD-FEUHOPSXSA-N 314.349 -0.480 30 20 DBED Cc1cc(=NC2(CNC(=O)[C@@H]3CNC(=O)N3)CC2)c(C#N)c[nH]1 1110324233 FCONGNXTFLUCLV-LBPRGKRZSA-N 314.349 -0.574 30 20 DBED C[C@H](NC(N)=O)C(=O)N[C@]1(C)CCN(c2ccnc(C#N)n2)C1 1110745072 BFSNCASYEALXHK-LKFCYVNXSA-N 317.353 -0.510 30 20 DBED Cc1nc(N2CC[C@@](O)(CNC(=O)CC(N)=O)C2)ccc1C#N 1111053737 KXMVGEWYRYAHFA-OAHLLOKOSA-N 317.349 -0.806 30 20 DBED CCOCC(=O)NC[C@@H]1CN(c2nccnc2C#N)C[C@H]1O 1112692117 KJGPFBOEUMWCAE-ZYHUDNBSSA-N 305.338 -0.702 30 20 DBED CC(C)OCC(=O)NC[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1O 1112710618 ZGZVJJLILAOLQW-VXGBXAGGSA-N 319.365 -0.313 30 20 DBED C#CCNC(=O)CC(=O)N1CCN(Cc2cnn(C)c2)CC1 1112774487 ZECXGIDDVXQJKA-UHFFFAOYSA-N 303.366 -0.796 30 20 DBED CC(C)C#CC(=O)N1CCN(CC(=O)NC(=O)NC2CC2)CC1 1112832064 DPZMHTCXGWRDGT-UHFFFAOYSA-N 320.393 -0.222 30 20 DBED C#CCO[C@H](C)C(=O)N1CCN(Cc2nnnn2C2CC2)CC1 1112845014 QIONXPYRKVCGRJ-GFCCVEGCSA-N 318.381 -0.310 30 20 DBED C[C@H](NC(=O)CCNC(N)=O)[C@@H](C)N=c1cc[nH]cc1C#N 1113038679 JVJNYENEIXAQCY-ZJUUUORDSA-N 304.354 -0.261 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)c2conc2C2CC2)CC1 1113335658 RXLPNOHTHXIYQX-UHFFFAOYSA-N 317.349 -0.050 30 20 DBED C[C@H](CNC(=O)c1cnn(C)c1N)N(C)c1ccnc(C#N)n1 1113573159 DOYLJBSGZNDUMV-SECBINFHSA-N 314.353 -0.081 30 20 DBED COCC#CCN1CCN(C(=O)c2c[nH]c(C(N)=O)c2)CC1 1113634814 WYUUCOXUVCCEPP-UHFFFAOYSA-N 304.350 -0.479 30 20 DBED C[C@@H](CNC(=O)c1nnn(C)n1)N(C)c1nccnc1C#N 1113815176 WEGMZFSICBZDDK-QMMMGPOBSA-N 301.314 -0.874 30 20 DBED N#CCSCC(=O)N[C@H]1[C@@H]2CN(CC(=O)N3CCC3)C[C@@H]21 1113891069 LQIREBNCJUVIPZ-YABSGUDNSA-N 308.407 -0.478 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)[C@H](C)OCCC=C)[C@@H]2C1 1113999609 QMTRDEHYPNTETG-BFHYXJOUSA-N 319.405 -0.237 30 20 DBED C#CCCCCC(=O)NC1[C@H]2CN(Cc3nnn(C)n3)C[C@H]12 1114160495 ZIMXLOZLFJWWPY-RYUDHWBXSA-N 302.382 -0.050 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)[C@@H](CCC)OC)[C@@H]2C1 1114665606 LAZSLSAIBRYQKG-JHJVBQTASA-N 307.394 -0.403 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)CCc3cn[nH]c3)[C@@H]2C1 1114949357 LHJTZLPFISDCSZ-CHWSQXEVSA-N 317.393 -0.309 30 20 DBED N#CCNC(=O)CN1C[C@H]2C(NC(=O)[C@@H]3C[C@H]3C3CC3)[C@@H]2C1 1114952242 QUUGGLIZVUBWBX-UMSGYPCISA-N 302.378 -0.281 30 20 DBED C=C(Cl)CN1C[C@H]2[C@H](NC(=O)CS(=O)(=O)NC)[C@H]2C1 1115249721 LBKOIOWHUJDXCS-JZYVYDRUSA-N 307.803 -0.666 30 20 DBED CNC(=O)NC(C)(C)C(=O)NC1[C@@H]2CN(CC#CCOC)C[C@@H]12 1115293049 ZVRFHLVOIBRCMD-VXGBXAGGSA-N 322.409 -0.610 30 20 DBED C=CCCOCC(=O)N[C@H]1[C@@H]2CN(Cc3cn(C)nn3)C[C@@H]21 1115330383 LPFQZGIYVHTIFV-NHAGDIPZSA-N 305.382 -0.046 30 20 DBED CC#CCn1nnnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1120247580 XDGODBNZOXIDBD-LLVKDONJSA-N 312.399 -0.538 30 20 DBED CCCNC(=O)[C@H](C)NC(=O)CCN/C(O)=C1/N=CC=CC1=O 1120716122 IZFDBCIFNYYWJG-ZSNVJIKNSA-N 322.365 -0.066 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H](CO)CNC(=O)CC1(O)CCC1 1121528653 PMSGKBFQSVDGBA-GFCCVEGCSA-N 304.350 -0.431 30 20 DBED Cn1cc(C(=O)NC[C@@H](CO)N=c2cc[nH]cc2C#N)nc1O 1122445779 SUYRWXQUKONTDI-JTQLQIEISA-N 316.321 -0.983 30 20 DBED N#Cc1nccnc1N[C@@H](CO)CNC(=O)CCc1cn[nH]c1 1122704782 QLPZEZAHVUVOIG-LLVKDONJSA-N 315.337 -0.407 30 20 DBED CC[C@@H]1CCO[C@@H]1C(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1 1122798685 AGJKKAZEJZTRBG-GYSYKLTISA-N 319.365 -0.526 30 20 DBED CN(C[C@H](O)CNc1ncc(C#N)cc1F)C(=O)CC(N)=O 1124200200 LNPUIESYUXOTDF-SECBINFHSA-N 309.301 -0.801 30 20 DBED CC(C)[C@H](F)C(=O)N(C)C[C@@H](O)CN=c1cc[nH]c(C#N)n1 1124648037 AOYOGXCDAULTCQ-GWCFXTLKSA-N 309.345 -0.005 30 20 DBED C=CCOCC(=O)NCCN[C@@H](C)C(=O)NCCCOCC 1124773422 RGQRBFZQDFVPLO-ZDUSSCGKSA-N 315.414 -0.174 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)C#CC(C)C 1126834088 JSYHWWFJHYPHDF-GFCCVEGCSA-N 308.382 -0.248 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)c1cc(OC)ncn1 1127475439 VMQFSRGMQCABSU-SNVBAGLBSA-N 307.354 -0.505 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)C(C)(C)N(C)CC)C1 1129084598 PABNPWTWIUJSLI-KGLIPLIRSA-N 318.425 -0.017 30 20 DBED COCC1(C(=O)N[C@@H]2CN(CC#N)C[C@@H]2n2ccnn2)CCC1 1129117981 BTYVXUUNSFJRAQ-OLZOCXBDSA-N 318.381 -0.040 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1cn2cccnc2n1 1130802769 KNTZWHOJPNOHCE-LLVKDONJSA-N 314.349 -0.813 30 20 DBED C#CCNC(=O)CN1C[C@H](NC(=O)c2cn[nH]c2)CC[C@@H]1C 1131825531 JWPBCNFYPNHXFM-WCQYABFASA-N 303.366 -0.258 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)Cc1cncc(C)c1 1131867203 LZSAJBWPIMCCTI-ZDUSSCGKSA-N 302.378 -0.224 30 20 DBED C[C@H]1CCN(C(=O)c2cn(C)c(=O)cn2)C[C@@H]1CNCC#N 1132993538 RYUIAAQTERRWEW-RYUDHWBXSA-N 303.366 -0.008 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)C[C@H](C)NCc1nc(C)no1 1134131613 YZJIFKITBLUFPD-WDEREUQCSA-N 321.381 -0.110 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)Cc1ncc[nH]1 1135799223 TYOMEIGRZVXSFQ-VXGBXAGGSA-N 305.382 -0.426 30 20 DBED CCCN(C)CC(=O)N[C@@H](C)C[C@H](C)NCC(=O)NCC#N 1135975809 COQDAEXVUTUQLR-STQMWFEESA-N 311.430 -0.159 30 20 DBED N#CCNC(=O)CNCCNC(=O)Cc1ccc2c(c1)COC2 1149036883 FJRHFWVSEPMOLD-UHFFFAOYSA-N 316.361 -0.395 30 20 DBED C#CCNC(=O)CN1CCCO[C@H](CNC(=O)c2ccoc2)C1 1149154149 QSXMOAATOAUDEP-CQSZACIVSA-N 319.361 -0.150 30 20 DBED C=CCCC(=O)NC[C@H]1CN(Cc2nnnn2C)CCCO1 1149330256 GDLFUUCZVGURMS-LBPRGKRZSA-N 308.386 -0.117 30 20 DBED COc1cccc(CC(=O)NCCNCC(=O)NCC#N)c1 1149792352 QCQIPGKAJUQEGZ-UHFFFAOYSA-N 304.350 -0.417 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)CCCCC(=O)NC)C1=O 1153058589 QMAJLEWITCBWCK-CYBMUJFWSA-N 324.425 -0.215 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)[C@@H]1[C@H]2COC[C@H]21 1154731658 VEIAMOZEHYZLOI-CXTNEJHOSA-N 307.394 -0.545 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)c1ccnn1CC 1157040690 VESKFBRAJOUOSJ-GFCCVEGCSA-N 305.382 -0.250 30 20 DBED C[C@@H]1CCO[C@@H]1C(=O)NCCC1(CNCC(=O)NCC#N)CC1 1167263279 ZSIDMKJFSPENMB-OCCSQVGLSA-N 322.409 -0.073 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1cn(C(C)C)nn1 1169552769 YARFGTVSESBCJS-UHFFFAOYSA-N 306.370 -0.682 30 20 DBED C=CCOCC(=O)N1CC[C@H]2OCCN(CC(=O)NC)[C@@H]2C1 1176950058 XQCOLMBMENSJOV-CHWSQXEVSA-N 311.382 -0.763 30 20 DBED C#CCNC(=O)CNCCCNC(=O)CCCCC(=O)NC 1177241322 VSZQGQDNIKDFMI-UHFFFAOYSA-N 310.398 -0.862 30 20 DBED COCC#CCNC[C@H]1C[C@H]2CC[C@H]1N(C(=O)CC(N)=O)C2 1177676301 XJNZOWWTKYYRHT-MGPQQGTHSA-N 307.394 -0.272 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)[C@H]2CCCN2C)[C@H]1C 1179303555 HNULUBKAYCGQEM-CBBWQLFWSA-N 320.437 -0.203 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2ncccc2O)C1 1182156091 DEPSNCHXJXRZBI-LLVKDONJSA-N 302.334 -0.659 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)c2csc(O)n2)C1 1185029535 OSVVLVLAKJFGID-SECBINFHSA-N 310.379 -0.045 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2c(C)ncnc2O)C1 1185083894 MUDZITVOXGJJNG-LLVKDONJSA-N 317.349 -0.956 30 20 DBED C#CCNC[C@@H]1CN(C(=O)[C@@H](C)CC(N)=O)CC12CCOCC2 1186443629 BKWCLXWOQJFXRH-UONOGXRCSA-N 321.421 -0.024 30 20 DBED Cc1ccc2nnc(CNc3[nH]c(=O)n(C)c(=O)c3C#N)n2c1 1186748053 MOTIRLCZGPZNCN-UHFFFAOYSA-N 311.305 -0.092 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)[C@H]2CCN(C(C)=O)C2)C1 1187466676 ADHDWXLXZWAOEK-LSDHHAIUSA-N 307.394 -0.305 30 20 DBED COCC#CCN1C[C@@H]2CCN(C(=O)[C@@H]3CCCNC3=O)[C@@H]2C1 1188263087 FLJYIFBHGXPNPL-RRFJBIMHSA-N 319.405 -0.305 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CC23CCOCC3)C1 1188483470 UBLFKDBPDUBLBP-KGLIPLIRSA-N 319.405 -0.257 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)[C@@H](C)NC(C)=O)C1 1188747230 NVLKFWZIJCGQTE-DGCLKSJQSA-N 310.398 -0.654 30 20 DBED CO[C@H](C)CCC(=O)N1CC[C@H](N(C)CC(=O)NCC#N)C1 1189799082 VEXOEBNAMWUAFT-OLZOCXBDSA-N 310.398 -0.026 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)c2cc(C)no2)C1 1190989905 KLSZOBUUCIWDEY-IJLUTSLNSA-N 322.365 -0.551 30 20 DBED C=CCCO[C@H](C)C(=O)N[C@@H]1CN(Cc2cnnn2C)C[C@H]1O 1191609320 SRHLYWSKPPSXOI-MRVWCRGKSA-N 323.397 -0.542 30 20 DBED COCC#CCN(C)[C@H]1CCN(C(=O)[C@@H]2CCN(C)C2=O)C1 1191849057 KAKIAKLSPRVQPZ-UONOGXRCSA-N 307.394 -0.353 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@@H]1CCN(C(=O)CCN(C)C)C1 1192153324 OLOUHZOAQGNCBS-ZIAGYGMSSA-N 308.426 -0.391 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)c2cnccn2)CC1 1194681656 BTGJZRARAFWYHL-UHFFFAOYSA-N 303.366 -0.073 30 20 DBED CC#CCCCC(=O)N[C@@H]1CN([C@H]2CCN(CC)C2=O)C[C@H]1O 1195474836 XUGBVZOYZQFDDK-QLFBSQMISA-N 321.421 -0.038 30 20 DBED C=CCCCC(=O)N[C@@H]1CN([C@H]2CCC(=O)NC2=O)C[C@H]1O 1195732847 MRJXQOYUUIEXAH-GRYCIOLGSA-N 309.366 -0.691 30 20 DBED C=CCCN1CCCN(C(=O)CS(=O)(=O)N(C)C)CC1 1197984740 OWLXJTWKSWRRAI-UHFFFAOYSA-N 303.428 -0.012 30 20 DBED C#CCCNC[C@H]1CN(C(=O)CNC(=O)C2CC2)CCCO1 1199956411 FUDXMQGSFHRJGE-AWEZNQCLSA-N 307.394 -0.257 30 20 DBED CC#CCNC[C@H]1CN(C(=O)[C@H](C)S(C)(=O)=O)CCCO1 1200816264 ZGSHNCUSXJKPKI-STQMWFEESA-N 316.423 -0.350 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)[C@@H]2CCNC2=O)CC1 1201967851 YEWCSDUINZHSFA-GFCCVEGCSA-N 308.382 -0.995 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)[C@H](CC)OC)CC1 1204712120 YIIPHENQSLNLNL-AWEZNQCLSA-N 309.410 -0.011 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC(CNCc2nc(O)n[nH]2)CC1 1205265441 QGJLFRWHDRIMPZ-NSHDSACASA-N 321.381 -0.123 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCN(C(=O)c2cccnc2)C1 1207071368 INRJODFTQXOOCX-CYBMUJFWSA-N 301.350 -0.084 30 20 DBED C=C(C)CN1C[C@@H](NC(=O)CNS(=O)(=O)N(C)C)[C@H](C)C1 1208971752 SFKSLPCXRCSFGR-VXGBXAGGSA-N 318.443 -0.605 30 20 DBED Cn1ccc(C(=O)N2CCC[C@H](NCC(=O)NCC#N)C2)n1 1211072228 ORIPLXKRBOAFET-NSHDSACASA-N 304.354 -0.746 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)CCCOC)[C@H](OC)C1 1211933169 YZGQANAMAJLCIH-CHWSQXEVSA-N 313.398 -0.469 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@@H](CC(C)C)NC(C)=O)[C@H](OC)C1 1213751984 XFJVCOWWCOCOSS-RBSFLKMASA-N 309.410 -0.014 30 20 DBED COC[C@@H](O)CN[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C 1214173855 MPOXPMBXRWRISA-GRYCIOLGSA-N 301.412 -0.313 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C[C@H]1C 1215357545 FPXYTJPSLDRTBI-VVSAWPALSA-N 307.394 -0.383 30 20 DBED C#CCNC(=O)CC(=O)N1CCO[C@@H]2CN(CC(=C)C)C[C@@H]21 1217684289 LNSDOOIHDPTAQJ-UONOGXRCSA-N 305.378 -0.386 30 20 DBED C=C(C)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)CCS(C)(=O)=O 1218180288 AWVJFPOGTZZORL-QWHCGFSZSA-N 316.423 -0.091 30 20 DBED C=CCN1CC[C@H](N2C[C@H](O)[C@H](NC(=O)/C(C)=C\C)C2)C1=O 1219443339 OIKBVJDSRADPNC-BFMBINPPSA-N 307.394 -0.099 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCCCO2)C1 1219459014 NSFGXJBRAWDWIG-AGIUHOORSA-N 311.382 -0.981 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(Cc2coc(C)n2)C[C@@H]1O 1219536439 QOBNCFVJVQGBDZ-VNHYZAJKSA-N 309.366 -0.029 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](NC(=O)CCS(=O)(=O)NC)C1 1219615307 LWLVJCDPYLTLLR-NEPJUHHUSA-N 319.427 -0.947 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)COc2cc(C)on2)C1 1219839344 LHRJXBHFKWGGAQ-OLZOCXBDSA-N 323.349 -0.827 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)CCc2c(C)ncnc2O)C1 1219940180 YVJBDYZDFJENDT-KGLIPLIRSA-N 318.377 -0.392 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)Cc2cnoc2)C1 1220207617 OQHBNWFDJXLTIT-UHTWSYAYSA-N 322.365 -0.931 30 20 DBED C=CCC1(C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@@H]2O)CCC1 1220278788 JORUYWMOWRPTBO-OLZOCXBDSA-N 320.393 -0.466 30 20 DBED C=C[C@@](C)(CC)C(=O)N[C@@H]1CN(Cc2nnnn2C)C[C@@H]1O 1220292268 SJLJGFYBONIWII-SUNKGSAMSA-N 308.386 -0.526 30 20 DBED C#CCN1CC[C@@H]2CCN(C(=O)CN(C)S(C)(=O)=O)C[C@@H]21 1222809496 FJCPSEITBZAPQQ-OLZOCXBDSA-N 313.423 -0.566 30 20 DBED C#CCCN1CCC(CNC(=O)CN2CC(=O)NC2=O)CC1 1224883463 ASANLNCNJBWTNT-UHFFFAOYSA-N 306.366 -0.610 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cnsn1 1225043168 WOPCWVMLSMLHEM-GHMZBOCLSA-N 321.406 -0.082 30 20 DBED Cn1cnnc1COCC(=O)NCC1CCN(CC#N)CC1 1225046830 NEUWQXXMHFQJEB-UHFFFAOYSA-N 306.370 -0.317 30 20 DBED C=CCn1cc(C(=O)NC2CCN(C[C@H](O)COC)CC2)nn1 1229500338 NONLDRAMQPMQAK-ZDUSSCGKSA-N 323.397 -0.334 30 20 DBED CN(C[C@H]1CCN1CC(=O)NCC#N)C(=O)c1cc[n+]([O-])cc1 1230654462 PPNFAJRIMJIABO-CYBMUJFWSA-N 317.349 -0.894 30 20 DBED C#CCNC(=O)[C@H](C)N(C)CCCNC(=O)c1ccc(O)nn1 1233613202 MUQRCBFPUOYXPX-NSHDSACASA-N 319.365 -0.628 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)c1nccc(C)n1 1233989376 BXCCHVXDDJANEZ-CYBMUJFWSA-N 315.377 -0.319 30 20 DBED CN(C[C@@H]1CCN1CC#N)C(=O)[C@H](Cn1cccn1)N(C)C 1235302637 HWPGRHIDFMAZOL-KBPBESRZSA-N 304.398 -0.130 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)CCc2ccon2)C1 1265438623 ATVPTSSFAGILHH-JSGCOSHPSA-N 318.377 -0.064 30 20 DBED O=C(CCN/C(O)=C1\N=CC=CC1=O)NC[C@@H](O)C(F)(F)F 1321033717 NORUMINWCWYLLR-IRXCETGXSA-N 321.255 -0.058 30 20 DBED N#CCCCNC(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 1323731092 TYCFDSUQMYJXIO-SNVBAGLBSA-N 316.383 -0.717 30 20 DBED C#C[C@H](C)N(C)C(=O)C(=O)Nc1cnn(CC(=O)NC2CC2)c1 1326554612 FLRZEXHBFFUJTR-JTQLQIEISA-N 317.349 -0.420 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CC(=O)N[C@H]2CCCC[C@H]21 1327249513 ZQCIUNHQCZPASR-GRYCIOLGSA-N 309.366 -0.427 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)Nc2ccnc(OCCO)c2)CCO1 1327253720 HDQNKCSRYAMRQA-NSHDSACASA-N 320.305 -0.858 30 20 DBED C[C@@]1(CO)CN(C(=O)C(=O)N2CCC(C#N)CC2)C[C@]1(C)CO 1329251159 YCQAFVCSVYOAPC-IYBDPMFKSA-N 323.393 -0.412 30 20 DBED CNS(=O)(=O)CCCNC(=O)Cc1noc(C)c1C#N 1330167547 DKNHSKHAYHRKLU-UHFFFAOYSA-N 300.340 -0.547 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N[C@H]1CCCN(CC)C1=O 1333637264 GREVVHCRWKTSHN-STQMWFEESA-N 323.393 -0.342 30 20 DBED C#CCNC(=O)C1CCN(C(=O)C(=O)N2CC[C@@H](C)C2)CC1 1344873238 JNLZHHAPLHBBEI-GFCCVEGCSA-N 305.378 -0.157 30 20 DBED C=CCSCCNC(=O)C(=O)N[C@@H]1CCCS(=O)(=O)C1 1345463624 PKLQQRIGTULJPF-SNVBAGLBSA-N 320.436 -0.285 30 20 DBED C[C@H]1CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)[C@@H]1CO 1362503729 UEOPBRDKOVQZNQ-GXSJLCMTSA-N 306.322 -0.560 30 20 DBED CN(CCN(C)C(=O)c1cc(C#N)c[nH]1)C(=O)c1ncn(C)n1 1376230665 IVGGIBBZICNQFP-UHFFFAOYSA-N 315.337 -0.141 30 20 DBED COCCN(CCNC(=O)CNC(=O)OC)C(=O)[C@H](C)C#N 1383301185 FNMVXNNHJIROIM-SNVBAGLBSA-N 314.342 -0.907 30 20 DBED COCCN(CCNC(=O)[C@@H](C)C#N)C(=O)c1[nH]nnc1C 1384414870 YQZFFKIJWLARTG-VIFPVBQESA-N 308.342 -0.522 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@@H](CNC(=O)CNC(=O)C2CC2)C1 1384937125 QCKPMKDQUMPFPR-FOGDFJRCSA-N 306.366 -0.317 30 20 DBED CN(C[C@H](O)CNC(=O)CC(C)(C)O)C(=O)c1cc(C#N)c[nH]1 1396002086 SULFFVLUQFSFQI-LLVKDONJSA-N 322.365 -0.404 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNCc1ccc(C(N)=O)cc1 1401513708 YOVAGLBYYCYCIB-MFKMUULPSA-N 304.350 -0.488 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)Cn1cc(C2CC2)cn1 1410143197 SEFBYVCQHMDTRX-MFKMUULPSA-N 319.365 -0.487 30 20 DBED COC(=O)NCC(=O)N(C)[C@@H](C)CNC(=O)c1cc(C#N)c[nH]1 1411524055 OZRFIRVDYLLNFQ-VIFPVBQESA-N 321.337 -0.181 30 20 DBED Cc1nn(CC(=O)N=[S@](C)(=O)N(C)C)c(=O)c(C#N)c1C 1412923585 PGQNTEXVISTFQR-NRFANRHFSA-N 311.367 -0.167 30 20 DBED Cn1c(=O)[nH]c(N2CCN(c3ccnnc3)CC2)c(C#N)c1=O 1413905802 AQSPCZRTODQUTO-UHFFFAOYSA-N 313.321 -0.938 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1n[nH]c2c1CCCC2 1416777448 GOPRCMRRHODTII-ZJUUUORDSA-N 319.365 -0.345 30 20 DBED C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCNC(=O)C1 1417460012 MOWNBMGIUNDDKS-VIFPVBQESA-N 324.772 -0.082 30 20 DBED CCN(CCC#N)C(=O)CNC[C@H](C)NC(=O)c1cn[nH]c1 1422626495 AOCZQWIGAFXDAK-NSHDSACASA-N 306.370 -0.120 30 20 DBED CO[C@H](C(=O)N1CC(NC(=O)[C@@H](C)C#N)C1)c1cnn(C)c1 1432337011 OAFCZCGMCQNTLC-CABZTGNLSA-N 305.338 -0.406 30 20 DBED Cc1onc(CC(=O)N2CC[C@H](CS(N)(=O)=O)C2)c1C#N 1434402745 WJXKJFLCXOKQJZ-VIFPVBQESA-N 312.351 -0.466 30 20 DBED CO[C@@H](C)CCNC(=O)NCCn1cc(C#N)c(O)nc1=O 1434802515 OHWZODVHENEPHH-VIFPVBQESA-N 309.326 -0.455 30 20 DBED CNC(=O)NC(=O)CN(C)CC1CCN(C(=O)[C@H](C)C#N)CC1 1437991531 UKYIIGWNOCZJCH-LLVKDONJSA-N 323.397 -0.228 30 20 DBED C=C(Cl)CN1CC[C@@H](NC(=O)CNC(=O)CNC(C)=O)C1 1441106261 VDYXBVGFCILWAQ-LLVKDONJSA-N 316.789 -0.818 30 20 DBED Cc1ncc(CCNC(=O)Cn2cc(C#N)c(O)nc2=O)s1 1446497193 SITDHLUFSZDFIL-UHFFFAOYSA-N 319.346 -0.056 30 20 DBED C[C@H](C#N)C(=O)N(C)CCNC(=O)[C@H]1CCCCN1C(N)=O 1455481398 JEAOUBRDKFIAIZ-GHMZBOCLSA-N 309.370 -0.346 30 20 DBED CN(CCC#N)S(=O)(=O)NC[C@H]1CCCN(C(N)=O)C1 1475358942 XMICSFFVEVYSRM-SNVBAGLBSA-N 303.388 -0.543 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@@H](NC(=O)c2ccnn2C)C1 1490528996 XWOOJSHGRHUQFR-NWDGAFQWSA-N 303.366 -0.638 30 20 DBED C[C@@H](C#N)C(=O)NC1CC(N(C)C(=O)C2(NC(N)=O)CC2)C1 1511934433 DECUDNRFTAXEFX-IDKOKCKLSA-N 307.354 -0.547 30 20 DBED N#Cc1ccc2c(c1)CCN[C@@H]2C(=O)N1C[C@@H](CO)[C@@H](CO)C1 1580071897 FZOHZCASYAQDBU-LZWOXQAQSA-N 315.373 -0.196 30 20 DBED C[C@@H](CNC(=O)[C@@H](C)C#N)N=c1cc[nH]cc1-c1nn[nH]n1 1589849744 LNLJQQAOUWLHMW-IUCAKERBSA-N 300.326 -0.240 30 20 DBED CN1C(=O)CC[C@H]1C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[nH]1 1591163685 QYULTUHZGQHFNI-LURJTMIESA-N 301.270 -0.979 30 20 DBED N#Cc1ncc(N2CCCN(C(N)=O)CC2)nc1-c1nn[nH]n1 1606397355 OSNFFRNCKRYVTM-UHFFFAOYSA-N 314.313 -0.881 30 20 DBED CCn1c(N2CCNC(=O)C2)nnc1C1(C#N)CCOCC1 1646699903 CJJQQGLSYNOJIP-UHFFFAOYSA-N 304.354 -0.194 30 20 DBED N#Cc1cnn2cc(CN3CC[C@@H](S(N)(=O)=O)C3)cnc12 1647241142 ATUDXWHECJYKGS-LLVKDONJSA-N 306.351 -0.536 30 20 DBED C#CCNC(=O)[C@H](C)N1CC(O)(CNC(=O)[C@H]2CC2(C)C)C1 1716935781 ZMOFBUSDLDLOGP-NWDGAFQWSA-N 307.394 -0.667 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](OC)C1CC1 1752532527 LSHUXDJUTABJFT-IJEWVQPXSA-N 319.405 -0.164 30 20 DBED C#CCCN[C@H]1CCN(C(=O)c2coc(S(N)(=O)=O)c2)C1 1752577685 WYOMSPGCEYVUGS-NSHDSACASA-N 311.363 -0.246 30 20 DBED C#CCNC(=O)[C@H](C)N(C)CCNC(=O)c1cncc(C#C)c1 1753063815 DIQYAMFUEJSHQQ-ZDUSSCGKSA-N 312.373 -0.138 30 20 DBED C=CCNC(=O)[C@H](C)N1CC[C@@H](CNC(=O)CNC(=O)CC)C1 1753124631 SBUUFZTYFRQEED-STQMWFEESA-N 324.425 -0.359 30 20 DBED N#CCNC(=O)CNCCC1CCN(C(=O)c2nc[nH]n2)CC1 1753575823 PAOVIGZOQZPKQM-UHFFFAOYSA-N 319.369 -0.724 30 20 DBED CNS(=O)(=O)CCC(=O)N1CCC[C@H]([C@@H](C)NCC#N)C1 1753794878 TXHUWOHPUQZVJA-NEPJUHHUSA-N 316.427 -0.334 30 20 DBED N#CCNC[C@H](O)CNC(=O)c1ncn(-c2ccccc2)n1 1753915506 XAPDLZZEDDTRDW-LBPRGKRZSA-N 300.322 -0.529 30 20 DBED C=CCNC(=O)NC(=O)CNCC[C@H](C)NC(=O)C#CC1CC1 1753964270 BVRFSWUXLDTOCI-LBPRGKRZSA-N 320.393 -0.104 30 20 DBED C#CCNC(=O)CNCCN(CC)C(=O)[C@@H]1CCCC(=O)N1C 1754080914 QSULVMULDRUPJT-ZDUSSCGKSA-N 322.409 -0.815 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)CCCNCc1cnnn1C 1754377328 YBAJZMLMLFQTND-HNNXBMFYSA-N 318.425 -0.149 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)CCOCC#C)[C@H](C)C1 1754595668 RNRRLGWWYMOKSP-CABCVRRESA-N 319.405 -0.255 30 20 DBED C#Cc1cncc(C(=O)N[C@H](C)[C@@H](C)NCc2nnnn2C)c1 1755252992 NRMUYXWWBCQMMR-GHMZBOCLSA-N 313.365 -0.117 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)NC1(CCO)CN(CC#N)C1 1755336833 JETZQXYHAHWGSN-CYBMUJFWSA-N 308.382 -0.466 30 20 DBED CNC(=O)NCC(=O)NC[C@H]1CCCCCN1CC#CCOC 1755363073 BGNHCHSSNDCSHY-CQSZACIVSA-N 324.425 -0.074 30 20 DBED C#CCNC(=O)CN1CC([C@@H](C)NC(=O)Cc2cnc(C)o2)C1 1755378150 CWFVFMLKZZBGQC-LLVKDONJSA-N 318.377 -0.289 30 20 DBED C#CCNCCC[C@@H](C)NC(=O)Cn1[nH]cc2c(=O)ncnc1-2 1755519321 GBAKOIRMRSDMRZ-LLVKDONJSA-N 316.365 -0.421 30 20 DBED C#CCCN[C@@H](CO)CNC(=O)C[C@H]1CCCS(=O)(=O)C1 1755644037 WDITXQUMQNPBRR-CHWSQXEVSA-N 316.423 -0.709 30 20 DBED CN(CC#N)C[C@H](O)CN(C)C(=O)c1cncc2ncn(C)c12 1755802100 PRUWPYCEFNCWPG-NSHDSACASA-N 316.365 -0.143 30 20 DBED C=CCN(C)CCN(C(=O)Cn1ccc(=O)n(C)c1=O)C(C)C 1755813753 ZXPBSCWUXYBZCP-UHFFFAOYSA-N 322.409 -0.098 30 20 DBED COCCN(CC#N)CCNC(=O)C1(S(C)(=O)=O)CCC1 1755840925 QUONZOXFSLCCMA-UHFFFAOYSA-N 317.411 -0.458 30 20 DBED C[C@@H](C(=O)NC(N)=O)N1CC=C(CNC(=O)[C@H](C)C#N)CC1 1755884210 MEQCPYYNVDTIRD-ZJUUUORDSA-N 307.354 -0.522 30 20 DBED C=CCOCC(=O)NC[C@H](C)N(C)C(=O)[C@@H]1COCCO1 1756011636 QWXMLWAREFMRQG-RYUDHWBXSA-N 300.355 -0.433 30 20 DBED C=CCCC(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 1756244052 OIJWOAVJEKAIHJ-DCAQKATOSA-N 322.365 -0.438 30 20 DBED C#CCOCCC(=O)N(C)C[C@@H](C)NC(=O)c1cncnc1O 1756454036 ZGBGXFTUWRXRPJ-LLVKDONJSA-N 320.349 -0.201 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(C(=O)[C@H](C)NC(C)=O)C[C@H]1O 1756992224 RWJJKFIPDMYXCR-CYZMBNFOSA-N 309.366 -0.998 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H]1C[C@@H](CNC(=O)CNC(C)=O)C1 1757309599 DPTNRDULYSOKDA-RTXFEEFZSA-N 309.366 -0.828 30 20 DBED N#CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnoc1)C2 1795081174 SOMUXVVGVVOPQH-PTEHBNRSSA-N 304.306 -0.209 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccncn1)C2 1800452387 ZCZDJCZMCYBTRR-GNXNZQSNSA-N 300.318 -0.687 30 20 DBED C[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)C)C2 1800983918 AABKAHUSKHGBLY-KQXIARHKSA-N 315.439 -0.544 30 20 DBED CCNC(=O)N[C@@H](C)C(=O)N1CCCC12CN(C(=O)CC#N)C2 1844228931 WYWJIPWOMYBANP-NSHDSACASA-N 321.381 -0.189 30 20 DBED N#CC1(C(=O)N2CCCC23CN(C(=O)CNC(N)=O)C3)CCC1 1846978000 HJXJBQLRDUNXSF-UHFFFAOYSA-N 319.365 -0.448 30 20 DBED CN(CCCc1n[nH]c(N)c1C#N)CC(=O)N1CCNC1=O 153288587 SNUYUNBQNPWRFC-UHFFFAOYSA-N 305.342 -0.720 30 20 DBED CN(C)C(=O)CN/C(=N/C1CC1)N1CCN2C(=O)CC[C@H]2C1 262326159 UAALHFAKMWESGL-LBPRGKRZSA-N 307.398 -0.511 30 20 DBED C=CCCN(C)CC(=O)c1c(O)nc(=O)n(CCOC)c1N 276384822 IOQLWTLHJUZTLC-UHFFFAOYSA-N 310.354 -0.132 30 20 DBED C=CCn1c(S(=O)(=O)[C@@H](C)C(=O)N(C)C(C)C)n[nH]c1=O 278688716 ZFRCNPOIDIWYTG-VIFPVBQESA-N 316.383 -0.214 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)CCN2C(=O)CCC2=O)C1=O 281242135 FQHYYSWRHUYMOH-LLVKDONJSA-N 307.350 -0.229 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)[C@H](C)NS(C)(=O)=O)C1=O 281773672 RBANJMAGAXTGIA-VHSXEESVSA-N 303.384 -0.831 30 20 DBED Cc1nc2n(n1)C[C@@H](NS(=O)(=O)N(C)[C@@H](C)CC#N)CC2 283071360 UUGYLMGAHQPKAG-ONGXEEELSA-N 312.399 -0.030 30 20 DBED CO[C@H]1COC[C@@H]1NCCS(=O)(=O)c1ccc(C#N)cn1 290109330 JLHUCSHXJQYJJI-RYUDHWBXSA-N 311.363 -0.270 30 20 DBED C=C[C@@H](CO)NS(=O)(=O)N1CCN(C(=O)OCC)CC1 290276937 VAEWMTHKBHFKGL-JTQLQIEISA-N 307.372 -0.858 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CC[C@@](C)(C(N)=O)C1 292353350 QGKQZMKSJQRYEA-BFQNTYOBSA-N 323.393 -0.192 30 20 DBED COCCN1CN(/C(O)=N/CC2([S@](C)=O)CCC2)CC1=O 328739815 MVCVHILTOPEJDI-NRFANRHFSA-N 317.411 -0.050 30 20 DBED C[C@H](CN1CCCC1=O)/N=C(/O)CN1CCCS1(=O)=O 328880279 KOKXUMUXKFGXRJ-SNVBAGLBSA-N 303.384 -0.011 30 20 DBED CCNS(=O)(=O)[C@H]1CCN(/C(O)=N/CC2(C)COC2)C1 329105339 HBBMLRDXKHZBMO-JTQLQIEISA-N 305.400 -0.050 30 20 DBED CC(=O)N1CCN(CC/N=C(/O)c2cnc3[nH]nnc3c2)CC1 329152519 SZLORSXTAIMUGV-UHFFFAOYSA-N 317.353 -0.178 30 20 DBED C[C@@H]1CN(/C(O)=N/Cc2nnn(C)n2)C[C@H]1N1CCOCC1 330242039 WJLLMRHEVWLNKU-GHMZBOCLSA-N 309.374 -0.723 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCC[C@@H](CNS(C)(=O)=O)C1 330454437 MXMUINKCASHYNZ-NEPJUHHUSA-N 303.428 -0.062 30 20 DBED CNS(=O)(=O)CC/N=C(/O)N1C[C@H](C)O[C@H](COC)C1 331268102 RUDLAAKRSLHPNG-UWVGGRQHSA-N 309.388 -0.815 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N[C@@H]2CCN3CCCC[C@@H]23)CCO1 336919397 PCPGPPVZFHXGRD-UPJWGTAASA-N 314.411 -0.328 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N(C)[C@@H]1CCN(C)C1=O 337099443 UNGXKANITTUKPE-WDEREUQCSA-N 302.400 -0.125 30 20 DBED COC(=O)[C@H]1CNC(=O)CN1C(=O)c1cccc(C#N)c1C 338269223 KADKVNRACDUOMY-GFCCVEGCSA-N 301.302 -0.020 30 20 DBED Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N[C@@H](C)C#N 340434531 QEUFREGDZLHKMM-XPUUQOCRSA-N 300.340 -0.013 30 20 DBED COc1cc(C#N)ccc1OCC(=O)N[C@@H]1CN(C)NC1=O 349664136 GLGFIHIYYBACJO-SNVBAGLBSA-N 304.306 -0.593 30 20 DBED N#CCC1(O)CN(C(=O)CCN2C(=O)NC3(CCCC3)C2=O)C1 373522597 RRLGBKMEYMDRTR-UHFFFAOYSA-N 320.349 -0.272 30 20 DBED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2C[C@@H](C)NC[C@H]2C)n1 415575366 XFLXQEIOSMMTHH-GHMZBOCLSA-N 318.381 0.483 30 20 DBED N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@@H](O)[C@H](O)C1 434774548 MJHYBBKGPBNRCM-NXEZZACHSA-N 313.291 -0.807 30 20 DBED CC#CCNC(=O)C(=O)Nc1ccc(C)c(S(N)(=O)=O)c1 440605150 KVBDSRGNJFJNGM-UHFFFAOYSA-N 309.347 -0.280 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC(C)C)CC1 448611125 BPKHGQBWJGFVIP-OLZOCXBDSA-N 323.393 -0.227 30 20 DBED C=CCC[C@@H](NC(=O)[C@H](C)NS(C)(=O)=O)C(=O)OCC 456636248 XVABMYYOJADWOZ-VHSXEESVSA-N 306.384 -0.062 30 20 DBED C=C[C@H]1CCCCN1S(=O)(=O)c1cn(C)c(=O)n(C)c1=O 487382816 XLDADVOIFXDMJR-JTQLQIEISA-N 313.379 -0.187 30 20 DBED CC(C)NC(=O)C(=O)N1CCN(C(=O)NC[C@@H](C)C#N)CC1 542874617 MQNIUFHAHAPNGS-NSHDSACASA-N 309.370 -0.476 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)[C@H]2CCc3nnnn3CC2)C1=O 569464651 SPASVTBJBBLDRZ-NWDGAFQWSA-N 318.381 -0.129 30 20 DBED N#Cc1ccc(=NCC(=O)N2CCc3nc(N)ncc3C2)[nH]c1 576816348 HNMDAVYEFUXZDZ-UHFFFAOYSA-N 309.333 -0.256 30 20 DBED N#CC1CN(C(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)C1 590486269 CSVPKQLVVVMION-MNOVXSKESA-N 311.363 -0.996 30 20 DBED COC[C@](C)(C#N)NC(=O)CNS(=O)(=O)c1cccnc1 597382783 VCZUEUGZZYONTF-LBPRGKRZSA-N 312.351 -0.595 30 20 DBED CCN(C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)[C@@H](C)C#N 598352769 FOWGQKURVRHNKU-VIFPVBQESA-N 318.337 -0.806 30 20 DBED C[C@H](CCC#N)CN1CCN(C(=O)C(=O)N2CCOCC2)CC1 602430395 LOTBVTHSWBGIDN-CQSZACIVSA-N 322.409 -0.071 30 20 DBED Cn1c(N2CCC[C@@H](n3ccnc3)C2)c(C#N)c(=O)n(C)c1=O 609132927 WAIJXQVBTPPEGV-LLVKDONJSA-N 314.349 -0.006 30 20 DBED COc1cc(C#N)ccc1NC(=O)C(=O)N1C[C@H](O)C[C@@H]1CO 615403199 KDBPXHURDSSYCO-GHMZBOCLSA-N 319.317 -0.541 30 20 DBED C=CCOC[C@@H](NC(=O)c1ccnc2c1nnn2C)C(=O)O 630187304 MQKKXCQJFUYCON-SECBINFHSA-N 305.294 -0.251 30 20 DBED CC#CC[C@H](CO)NS(=O)(=O)c1cnn([C@@H]2CCOC2)c1 645884151 WNECCWYVEISEKW-VXGBXAGGSA-N 313.379 -0.103 30 20 DBED CCn1c(N)c(C(=O)CN(CCC#N)CCOC)c(O)nc1=O 676489233 MSEFDZKKOSZXCQ-UHFFFAOYSA-N 323.353 -0.404 30 20 DBED C=CCNC(=O)[C@H](C)OC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 751680517 UNDXIGKRIIACEK-UWVGGRQHSA-N 306.322 -0.004 30 20 DBED C=C(CN(C)C)C(=O)Nc1nnc(NS(C)(=O)=O)s1 764419765 VQVXERYCMHQUAW-UHFFFAOYSA-N 305.385 -0.034 30 20 DBED C#CCOCCNC(=O)C(=O)Nc1ccn([C@H](C)COC)n1 778702202 RZXOHQZYRMFVFM-LLVKDONJSA-N 308.338 -0.205 30 20 DBED COC[C@H](C#N)OC(=O)CCNS(=O)(=O)c1cccnc1 785155541 QCOYGTTWOIJJRM-JTQLQIEISA-N 313.335 -0.168 30 20 DBED C[C@@H](OC(=O)CCNS(C)(=O)=O)C(=O)NC1(C#N)CCC1 787634431 KYLQTQGUOICMGX-SECBINFHSA-N 317.367 -0.580 30 20 DBED CNC(=O)NCCC(=O)NS(=O)(=O)c1ccc(C#N)cc1 796700801 WHRPLYJDBPHOAB-UHFFFAOYSA-N 310.335 -0.318 30 20 DBED C#CCOCCC(=O)NCCNc1ccc(-c2nn[nH]n2)cn1 823849932 DDOCBJMESPKOTM-UHFFFAOYSA-N 315.337 -0.170 30 20 DBED C#CCSCCNC(=O)N1CCC[C@@H](C(=O)NCCN)C1 841832010 KZUYQAMEEQZCAB-GFCCVEGCSA-N 312.439 -0.151 30 20 DBED C=C(Br)CNC(=O)C(=O)NCCN1CCCC1=O 846741261 GYGCQZTULUMHDU-UHFFFAOYSA-N 318.171 -0.250 30 20 DBED C[C@@H](OC(=O)C1(n2cnnn2)CC1)C(=O)NC1(C#N)CCC1 849996808 QNYAKDRSJCHWMB-SECBINFHSA-N 304.310 -0.344 30 20 DBED C#CCNS(=O)(=O)N1CCN(Cc2cncs2)CC1 851872507 FUFDDUVRXHNHMO-UHFFFAOYSA-N 300.409 -0.272 30 20 DBED N#CCNS(=O)(=O)CCCS(=O)(=O)N[C@H]1C=CCC1 852903880 CVJQVXYIYHQTGL-JTQLQIEISA-N 307.397 -0.543 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)c2cc(O)ncn2)CC1 859225054 MVKJHZIQVZERCD-UHFFFAOYSA-N 317.349 -0.921 30 20 DBED NS(=O)(=O)c1ccc(NN=C2CCS(=O)(=O)C2)cc1 912773270 FBWXOYZFDGDHCT-UHFFFAOYSA-N 303.365 -0.080 30 20 DBED C=CCNC(=O)COC(=O)c1cc(S(=O)(=O)NC)c[nH]1 915243615 MLVLFFPBJHOHDF-UHFFFAOYSA-N 301.324 -0.618 30 20 DBED CN(C(=O)c1cnn[nH]1)[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 937172887 BVFNJCCHQKHNCB-JTQLQIEISA-N 313.321 -0.009 30 20 DBED CN(C(=O)c1nc[nH]n1)[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 937197378 FXPIVBRRGUHCGL-LLVKDONJSA-N 313.321 -0.009 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 938173500 KSZXUNLQKLVDDI-UWVGGRQHSA-N 322.365 -0.486 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](N(C)C(=O)c2ccc(C(N)=O)[nH]2)C1 939406667 SOLZMQCXCAYFAS-VHSXEESVSA-N 317.349 -0.054 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@H](CNC(=O)c2cnsn2)C1 944499030 WUBVIMKNIOUPJE-DTWKUNHWSA-N 309.351 -0.345 30 20 DBED C[C@H](C#N)C(=O)N1CCC(NC(=O)c2c[nH]c(C(N)=O)c2)CC1 948102451 MHHSLZHWQCMLOV-SECBINFHSA-N 317.349 -0.006 30 20 DBED C#CCCN1CCC2(CC1)CN(C(=O)Cn1cnnn1)CCO2 949021315 MLBRJXMGWIKZFQ-UHFFFAOYSA-N 318.381 -0.610 30 20 DBED O=C1CC[C@H](C(=O)NC[C@H]2CCN2C(=O)C#CC2CC2)CN1 950964021 IVQYFEGUMNULEW-QWHCGFSZSA-N 303.362 -0.357 30 20 DBED Cn1nnc(C(=O)NC[C@@H]2CCN2C(=O)c2ccc(C#N)[nH]2)n1 951621214 ZYSDKPTXTAMKGI-VIFPVBQESA-N 314.309 -0.946 30 20 DBED C[C@@H](C#N)C(=O)N1[C@H]2CCC[C@H]1CN(C(=O)[C@@H]1CCNC1=O)C2 952759132 BSWSMEGMNVVYCG-ZDEQEGDKSA-N 318.377 -0.126 30 20 DBED Cn1cc(C(=O)NC[C@@H]2CCCN2C(=O)C#CC2CC2)nn1 956004780 ODIBTKSTGZIIPG-LBPRGKRZSA-N 301.350 -0.051 30 20 DBED C=C(Cl)CN1CCN(C(=O)c2cn(CC(N)=O)nn2)CC1 957776924 XKLALTUAIQZXMA-UHFFFAOYSA-N 312.761 -0.726 30 20 DBED C#CCCN1C[C@H](O)[C@H](CNC(=O)c2cnn3ccncc23)C1 958145062 GQSSEDXBTZLSBT-DOMZBBRYSA-N 313.361 -0.225 30 20 DBED C=CCCN1C[C@@H](O)[C@@H](CNC(=O)c2cnc3[nH]nnc3c2)C1 958149455 SXPKGMGKEMKSQA-WCQYABFASA-N 316.365 -0.049 30 20 DBED C=CCN1C[C@@H](O)[C@H](CNC(=O)c2cn3cccnc3n2)C1 958213774 APEIELYSIYXVOP-DGCLKSJQSA-N 301.350 -0.062 30 20 DBED CC#CCN1C[C@@H](O)[C@H](CNC(=O)c2ccoc2CC(N)=O)C1 958350590 SEYOKAQKZOXJOJ-DGCLKSJQSA-N 319.361 -0.647 30 20 DBED Cc1c(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2C)nnn1C 958368052 JOYYSMMJXQZTCG-FXPVBKGRSA-N 304.354 -0.140 30 20 DBED C=CCCn1cc(C(=O)NC[C@@H]2CN(CCCO)C[C@@H]2O)nn1 958466775 ARPWPGZCUFZLSA-OCCSQVGLSA-N 323.397 -0.741 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cnn(C)c2C2CC2)C1 958748937 SYKRQWJQCWEVST-GXTWGEPZSA-N 302.378 -0.047 30 20 DBED Cc1conc1C(=O)N(C)[C@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1O 958962887 XZEKDXUWKBFRID-LSJOCFKGSA-N 306.322 -0.214 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CN(C(=O)C(F)F)C[C@@H]1O 958967892 BMQDWIWAOCCCHK-RCWTZXSCSA-N 318.320 -0.127 30 20 DBED C=CCN1C[C@@H]2C(NC(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)[C@H]2C1 961745106 OGGNMRNSWTVSPH-RVMXOQNASA-N 307.394 -0.145 30 20 DBED CCN(C(=O)c1ccc(C#N)[nH]1)C1CN(C(=O)c2nc[nH]n2)C1 967884320 PKCIRUBZIDNHIW-UHFFFAOYSA-N 313.321 -0.009 30 20 DBED COCCN1C[C@H](C(=O)N[C@@H](C)C2CN(CC#N)C2)CC1=O 969787590 DYWQUTRUYHIYQI-NWDGAFQWSA-N 308.382 -0.559 30 20 DBED C=CCn1cc(C(=O)N[C@H](C)C2CN([C@@H](CC)C(N)=O)C2)nn1 970545473 ZRKQRJAENKNGFQ-MFKMUULPSA-N 320.397 -0.222 30 20 DBED C=C(C)CN1CC([C@@H](C)NC(=O)c2cn(CC(N)=O)nn2)C1 970926678 WTCXIGBNSKNHCX-SNVBAGLBSA-N 306.370 -0.610 30 20 DBED C=C(C)CN1C[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C(C)(C)C1 975097463 BZCBKDHRDYLUPZ-WDEREUQCSA-N 308.382 -0.013 30 20 DBED Cc1[nH]nc(C(=O)N[C@H]2[C@@H]3CN(C(=O)[C@@H](C)C#N)C[C@@H]32)c1O 976368379 ZAKRJVBIRDKHMR-BEYHFKMWSA-N 303.322 -0.230 30 20 DBED C[C@@H]1C[C@H](NCC#N)CN1C(=O)CCc1nnc(O)nc1O 989086736 IKPWRRFNBWPUFJ-BDAKNGLRSA-N 306.326 -0.682 30 20 DBED C=CCCn1cc(C(=O)N2C[C@@H](NCC(N)=O)C[C@@H]2C)nn1 989543363 KREUIVSXGRHEAL-QWRGUYRKSA-N 306.370 -0.468 30 20 DBED N#Cc1cc(C(=O)NC2CN(C(=O)[C@H]3CCC(=O)NC3)C2)c[nH]1 990927520 LIYUWDNAXSZZHQ-VIFPVBQESA-N 315.333 -0.647 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)c2[nH]nnc2C)C1 997344683 GCWNBXVITRKWOX-MNOVXSKESA-N 305.338 -0.355 30 20 DBED C#CCN1CC[C@H](n2cc(CNC(=O)c3cnccn3)nn2)C1 999962860 RCYLRKKFNLSWBO-ZDUSSCGKSA-N 311.349 -0.122 30 20 DBED C=CCN1CC[C@H](n2cc(CNC(=O)c3ncn(C)n3)nn2)C1 999993574 WPKBIOCBGCHHHJ-LBPRGKRZSA-N 316.369 -0.231 30 20 DBED CC#CCN1CCC(CNC(=O)c2nnc(O)nc2O)CC1 1001589872 YXTMGBGIDYAFKR-UHFFFAOYSA-N 305.338 -0.252 30 20 DBED C#CCCN1CC[C@@H](NC(=O)[C@H]2CC(=O)N(CCOC)C2)C1 1014632317 MYAKKFSYEMCZQG-UONOGXRCSA-N 307.394 -0.305 30 20 DBED C#CCN1CCC2(CC1)C[C@@H]2NC(=O)C1CC(=O)NC(=O)C1 1016878133 QXCZZSOSECXQBA-LBPRGKRZSA-N 303.362 -0.357 30 20 DBED N#Cc1ccccc1CN[C@H]1C[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 1020532242 LNBIPEKFMDEKSK-MGPQQGTHSA-N 313.361 -0.024 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CC(=O)N(C)C2)C1 1024113800 OWJCOWDUCOIBCN-QJPTWQEYSA-N 323.393 -0.635 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)c3cccnn3)C2)C1=O 1031134402 WJICPMAITBXRNP-ZDUSSCGKSA-N 301.350 -0.323 30 20 DBED N#CCN1CCCC[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C1 1034530829 FNFRIEJEFQRVLZ-WDEREUQCSA-N 300.384 -0.828 30 20 DBED N#CCN1CCO[C@H](CNC(=O)[C@H]2CCCCS2(=O)=O)C1 1035393373 ZKSWWLGUXFCQTI-VXGBXAGGSA-N 315.395 -0.706 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)[C@H]2CCn3cncc3C2)C1 1035414350 NVCLSCKJJZMJNO-ZFWWWQNUSA-N 302.378 -0.104 30 20 DBED C=CCN[C@H]1CCN(C(=O)Cn2nc(C)n(C)c2=O)C[C@H]1C 1036274422 BRVHHSPOEKNZQE-YPMHNXCESA-N 307.398 -0.097 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H](NCC(N)=O)[C@H](CC)C2)nn1 1037933436 YTLYREFMVLIJBE-NEPJUHHUSA-N 320.397 -0.220 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)c2ccsn2)C1 1040169740 PZGSGZOWAKEAGC-NOZJJQNGSA-N 308.363 -0.004 30 20 DBED CCc1nc(C#N)cc(N[C@H]2CCN(C(=O)C(N)=O)[C@H]2C)n1 1040232312 KOTNJANXHMEKQR-WPRPVWTQSA-N 302.338 -0.203 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)[C@@H](C)NC(C)=O)C1 1041339290 SYBYEUNLPJFYLY-SNVBAGLBSA-N 311.382 -0.587 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@@H]3CCN(CC(N)=O)[C@@H]3C2)[nH]1 1042015162 DBIQTHJOXNQQER-GXFFZTMASA-N 301.350 -0.092 30 20 DBED C=CCC1(C(=O)N2CC(O)(CNC(=O)CC(N)=O)C2)CCC1 1042220165 LVZPYBLPGOMPCH-UHFFFAOYSA-N 309.366 -0.702 30 20 DBED CCOC1CC(C(=O)NCC2(O)CN(C(=O)[C@H](C)C#N)C2)C1 1042880914 BWHZQMCWIDNILO-VOMCLLRMSA-N 309.366 -0.349 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@@H](C)C#N)C1 1043254593 NIOAKABXLCCLRV-XQQFMLRXSA-N 321.377 -0.183 30 20 DBED C=CCCOCC(=O)NCC1(O)CN(C(=O)c2ccon2)C1 1043565065 JWEVBYAGUAWVRP-UHFFFAOYSA-N 309.322 -0.430 30 20 DBED CC(C)n1cnc(C(=O)NCC2(O)CN(C(=O)[C@H](C)C#N)C2)c1 1043969910 GXWYYQFESOUAEV-LLVKDONJSA-N 319.365 -0.073 30 20 DBED CC(=O)N(C)CCCC(=O)NCC1(O)CN(C(=O)[C@@H](C)C#N)C1 1044337829 LCLXLRMNDVNTTR-NSHDSACASA-N 324.381 -0.906 30 20 DBED C=CCCOCC(=O)N1CC(O)(CNC(=O)CCN(C)C)C1 1045720967 ZVUKHNFXSMBCTL-UHFFFAOYSA-N 313.398 -0.780 30 20 DBED C#CCN1CC[C@@](C)(NC(=O)c2ccc(-n3cnnn3)cn2)C1 1046511234 IHUHCYMUQSHMNA-OAHLLOKOSA-N 311.349 -0.115 30 20 DBED CC[C@H](NC(C)=O)C(=O)NCC1(O)CN(C(=O)C#CC(C)C)C1 1047080368 LKOKVAFRPNQLKF-ZDUSSCGKSA-N 323.393 -0.750 30 20 DBED C=CCN1C[C@H]2C[C@H](NC(=O)c3cn(CC(N)=O)nn3)C[C@H]1C2 1047208484 GQKLHDMEBWVSQU-SDDRHHMPSA-N 318.381 -0.468 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2c(C)nn(C)c2OC)C1 1047552550 KSNAPADGQXPJIZ-STQMWFEESA-N 320.393 -0.122 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2c(C)nn(C)c2OC)C1 1047552591 LUHGCLXQDWGRKB-STQMWFEESA-N 320.393 -0.122 30 20 DBED CSCC(=O)N(C)[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1O 1048170232 CNICYWVACYHLEN-RYUDHWBXSA-N 322.390 -0.107 30 20 DBED CN(C(=O)C#CC1CC1)[C@H]1CN(C(=O)[C@]2(C)CCOC2)C[C@@H]1O 1048825170 WVUFKOOCPURFFE-GRDNDAEWSA-N 320.389 -0.144 30 20 DBED COCC(=O)N1CCC[C@@H](N(CCO)c2ccnc(C#N)n2)C1 1049131960 IAKNJGHHPPHPRF-GFCCVEGCSA-N 319.365 -0.216 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)C2CCOCC2)C[C@@H]1O 1049393773 FBULOAOXTOAABY-DRZSPHRISA-N 309.366 -0.397 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)c2csc(O)n2)C[C@@H]1O 1049407346 FBEPLBDFTKSZCK-HGNGGELXSA-N 324.362 -0.348 30 20 DBED Cn1cc(C(=O)N2CCC[C@H]3[C@@H]2CCN3CC#N)c(O)nc1=O 1049883819 CJBCAKADBSVKHV-RYUDHWBXSA-N 317.349 -0.312 30 20 DBED N#CCN1CCC2(CC1)CN(C(=O)CC1CS(=O)(=O)C1)C2 1050570544 DATIHZUBXRAYGT-UHFFFAOYSA-N 311.407 -0.131 30 20 DBED C=CCN1CCOC[C@H]1CNC(=O)[C@@H]1CCc2nnnn2CC1 1051124600 JCEOCFFGLIOFMX-CHWSQXEVSA-N 320.397 -0.371 30 20 DBED CC#CCN1CCOC[C@H]1CNC(=O)[C@@H]1CCCN1C(C)=O 1051217720 TVFRCGUBXFYCBA-CABCVRRESA-N 307.394 -0.162 30 20 DBED C#CCN1CCN([C@@H]2CCN(C(=O)C[C@@H]3CCC(=O)N3)C2)CC1 1052096417 KACWENKQODSAQJ-LSDHHAIUSA-N 318.421 -0.493 30 20 DBED C=CCN1CCN([C@@H]2CCN(C(=O)[C@@H]3CCC(=O)N3)C2)CC1 1052110493 RMINXNAGMPYKSO-KGLIPLIRSA-N 306.410 -0.331 30 20 DBED C=CCOCC(=O)N1C[C@@H](C)[C@@H](CNC(=O)Cn2ncnn2)C1 1052221839 UKIACVNFYTWFQI-NEPJUHHUSA-N 322.369 -0.914 30 20 DBED C#Cc1cncc(C(=O)N2CCOC3(CN(C[C@H](C)O)C3)C2)c1 1053422698 PORKOGFZXGOLBD-ZDUSSCGKSA-N 315.373 -0.030 30 20 DBED CC#CCN1CC2(CC[C@@H](CNC(=O)c3cnn(C)n3)O2)C1 1053678956 QAFKEJTWVOQHET-LBPRGKRZSA-N 303.366 -0.198 30 20 DBED Cc1ncnc(O)c1C(=O)N[C@@H]1COC2(C1)CN(CC#N)C2 1053902275 YLQJMOFHCUKHMF-JTQLQIEISA-N 303.322 -0.413 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)c3nccn4ccnc34)CO2)C1 1053928526 CXKUAEICZNWQHN-LLVKDONJSA-N 312.333 -0.174 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)c3cncc(C(N)=O)c3)CO2)C1 1054010596 UXSZSNAAYWWWOW-ZDUSSCGKSA-N 314.345 -0.613 30 20 DBED C=CCCCC(=O)N[C@]1(CO)CCCN(C(=O)CC(N)=O)C1 1056084947 CESUJQKAMCAUJF-OAHLLOKOSA-N 311.382 -0.312 30 20 DBED Cc1n[nH]cc1C(=O)N1CCC[C@](CO)(NC(=O)[C@H](C)C#N)C1 1056097838 WEUURQPZOLBZIM-BMIGLBTASA-N 319.365 -0.039 30 20 DBED N#Cc1cccnc1N1C[C@H]2[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)[C@H]2C1 1056407817 ZKRQOZJWJWFCFV-FHUSYTEZSA-N 311.345 -0.375 30 20 DBED Cc1cc(=N[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)C2)c(C#N)c[nH]1 1056764183 LAIFDCQEEQBREQ-YPMHNXCESA-N 314.349 -0.622 30 20 DBED CN(c1cnc(C#N)cn1)[C@@H]1CCN(C(=O)c2cnn(C)n2)C1 1056938721 LLVCETAFYFXJAF-LLVKDONJSA-N 312.337 -0.172 30 20 DBED C#CCOCCC(=O)NCCN(CCO)C(=O)Cc1ccon1 1057247017 WLQVVUSFFZJRMG-UHFFFAOYSA-N 323.349 -0.806 30 20 DBED C=CCn1cc(C(=O)N(CCO)CCNC(=O)C=C(C)C)nn1 1057626618 VCATWYWCQAYHBJ-UHFFFAOYSA-N 321.381 -0.019 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)[C@H]1CCCNC1=O 1057882260 IMCFWXRLCCGRRE-ZDUSSCGKSA-N 323.393 -0.891 30 20 DBED C=CC(C)(C)C(=O)N(CCO)CCNC(=O)c1ncn(C)n1 1058302551 XXRODEFDPFQXFR-UHFFFAOYSA-N 309.370 -0.422 30 20 DBED C=C(C)C[C@H](C)C(=O)N(CCO)CCNC(=O)Cn1cncn1 1058464399 VAIWXBDGRZVIKU-ZDUSSCGKSA-N 323.397 -0.183 30 20 DBED CN1CC[C@@H](C(=O)N[C@H]2CCN(c3nccnc3C#N)C2)C1=O 1058514376 HXNFNGZHRQSUBV-QWRGUYRKSA-N 314.349 -0.479 30 20 DBED N#CCSCC(=O)N1CC[C@@H](CCNC(=O)CC(N)=O)C1 1059198522 UXVKWUZMRNBYEO-SNVBAGLBSA-N 312.395 -0.527 30 20 DBED N#Cc1ccc(N[C@H]2C[C@@H](NC(=O)C3CS(=O)(=O)C3)C2)nn1 1059726660 MPHARMPSHRHHMO-PHIMTYICSA-N 321.362 -0.548 30 20 DBED C=CCOCC(=O)NC[C@@H]1COCCN1C(=O)c1[nH]cnc1C 1061419167 HQWZTUUREZWEBD-GFCCVEGCSA-N 322.365 -0.122 30 20 DBED CNC(=O)CC(=O)NC[C@H]1COCCN1C(=O)C#CC(C)(C)C 1061527719 CZZCRAACVGCTSI-LBPRGKRZSA-N 323.393 -0.484 30 20 DBED C=C(C)CCC(=O)NC[C@@H]1COCCN1C(=O)[C@H]1CCC(=O)N1 1061629180 NZTYUBPCVVTQPZ-CHWSQXEVSA-N 323.393 -0.035 30 20 DBED C=CCO[C@H](C)C(=O)NC[C@H]1COCCN1C(=O)COCC 1061667256 BBWICHAYRDFCMA-OLZOCXBDSA-N 314.382 -0.042 30 20 DBED C=CCCO[C@H](C)C(=O)NC[C@H]1CCCCN1C(=O)C(N)=O 1062332560 LTKQDELEUKQABM-VXGBXAGGSA-N 311.382 -0.050 30 20 DBED N#Cc1cncc(N2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2C[C@H]2C(N)=O)n1 1062580204 KFTMLXDHQZYHLR-YFKTTZPYSA-N 312.333 -0.741 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)CN2CCOCC2)CCC1 1064302204 FSPCAWSQNGJBKX-LBPRGKRZSA-N 308.382 -0.367 30 20 DBED C[C@@H](N=c1cc[nH]c(C#N)n1)[C@H]1CCN(C(=O)c2nc[nH]n2)C1 1065730211 ZSIUIKDAGQBFAC-ZJUUUORDSA-N 312.337 -0.149 30 20 DBED C[C@H]1CN(C(=O)CC(N)=O)C[C@@H]1CNc1nccnc1C#N 1065828159 FWLGXYHIOPKEOD-UWVGGRQHSA-N 302.338 -0.270 30 20 DBED C#CCOCCC(=O)N1CCC[C@@H](NC(=O)CNC(N)=O)CC1 1065829312 SULUJBFRDCBYFZ-GFCCVEGCSA-N 324.381 -0.808 30 20 DBED CN(CCCN(C)C(=O)[C@H]1CNC(=O)N1)C(=O)C#CC1CC1 1067376718 SAHUYRQDNYEVQL-GFCCVEGCSA-N 306.366 -0.612 30 20 DBED CCOCC(=O)N1CC2(CN(C(=O)C#CC3CC3)CCO2)C1 1068393189 MIOFHYLSHYRYTJ-UHFFFAOYSA-N 306.362 -0.124 30 20 DBED C#CCCCCC(=O)N1CCC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1 1070638686 XFOZWTCDBNKEDH-OLZOCXBDSA-N 320.393 -0.031 30 20 DBED C#CCCN1C[C@H]2C[C@H]3CN(C(=O)C4(C(N)=O)CC4)C[C@@]3(C1)O2 1070847534 ANIKBVLZDGVXQW-OGHNNQOOSA-N 317.389 -0.423 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)c2ccc(C#C)cn2)CC1 1071015782 SXJWODUNVIOPAJ-UHFFFAOYSA-N 324.384 -0.040 30 20 DBED C=CCOCC(=O)N[C@H]1CN(C(=O)Cn2cncn2)C[C@@H]1C 1072773671 UNOUXVGULSRUOV-RYUDHWBXSA-N 307.354 -0.556 30 20 DBED C#CCN1CCC2(C1)CN(C(=O)c1coc(S(N)(=O)=O)c1)C2 1072862017 IZHNUTZHOICRGJ-UHFFFAOYSA-N 323.374 -0.292 30 20 DBED C#CCN1CCC2(C1)CN(C(=O)[C@@H]1CCc3nnnn3CC1)C2 1073000731 DQBDHDUUTOTRTM-CYBMUJFWSA-N 314.393 -0.207 30 20 DBED CN1C[C@H](C(=O)NC[C@H]2CN(CC#N)CCCO2)CCC1=O 1073902185 WYXPDDDKUHCVAK-OLZOCXBDSA-N 308.382 -0.415 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(O)(CNC(=O)C2=CCOCC2)CC1 1074705588 VEAZRHYUMNIEGE-LBPRGKRZSA-N 321.377 -0.038 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)c2cc(C(N)=O)cn2C)C1 1077315536 QTRCFIZVZSYQAQ-DGCLKSJQSA-N 306.366 -0.525 30 20 DBED C[C@@H](CCNC(=O)Cn1c(O)nnc1O)NC(=O)C#CC1CC1 1077680161 USWKKKNMPYZBQF-VIFPVBQESA-N 321.337 -0.886 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2Cc3ccccc3CO2)C1 1078104468 HYUYSANVJDPGCN-KFWWJZLASA-N 301.346 -0.187 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)c2ccc(NC(N)=O)cc2)C1 1078130001 IIGWVPIDYHCADF-ZIAGYGMSSA-N 316.361 -0.025 30 20 DBED CCN(C(=O)C#CC1CC1)C1CN(C(=O)[C@@H]2CCNC2=O)C1 1079742929 RACVFMXZKMKODZ-CYBMUJFWSA-N 303.362 -0.405 30 20 DBED C#CCN1CCC(C(=O)N[C@@H]2CN([C@H](C)C(N)=O)C[C@H]2C)CC1 1080992288 CNWISFIWQYLZBV-UMVBOHGHSA-N 320.437 -0.358 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)C[C@H]1c1ccccc1 1081170683 ITKKTNYHMRLXDM-SOUVJXGZSA-N 312.373 -0.115 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2cnc(C)[nH]2)C[C@H]1O 1081346404 HVFKACIVGWIOIZ-WCQYABFASA-N 322.365 -0.530 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@H]1CCCCS1(=O)=O 1081792824 GOURCOQNRBYQTK-IJLUTSLNSA-N 315.395 -0.707 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CCCN(C(N)=O)C1 1083136138 IFEHUXJVCNANJV-RWMBFGLXSA-N 321.381 -0.788 30 20 DBED C=C(Br)CN1C[C@H](O)[C@H](NC(=O)c2cnon2)C1 1083877748 LZEZJBPDNXXBIW-BDAKNGLRSA-N 317.143 -0.247 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@]2(C)CCN(C(C)=O)C2)C1 1083929038 LFVHEMHRNRCYEN-IJEWVQPXSA-N 307.394 -0.571 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@H]2COCCO2)C[C@H]1c1cnn(C)c1 1086968776 MJLFUYJADWEYJD-RRFJBIMHSA-N 318.377 -0.647 30 20 DBED CC#CCN1CC[C@@H]2CN(C(=O)c3nnc(O)nc3O)C[C@@H]2C1 1088028654 XMOCJILOWUVNTK-MNOVXSKESA-N 317.349 -0.300 30 20 DBED C[C@@H](C[C@@H](C)N=c1cc[nH]c(C#N)n1)NC(=O)Cc1nc[nH]n1 1089393376 JNZKMFFEHOBASC-ZJUUUORDSA-N 314.353 -0.174 30 20 DBED C#CCN1CC[C@H](NC(=O)Cc2nc(C3CC3)nn2C)[C@@H](O)C1 1090823723 LNSKRZXXGYRGGB-STQMWFEESA-N 317.393 -0.580 30 20 DBED Cn1cnc(C(=O)N2C[C@H]3CN(CC#N)C[C@@]3(C)C2)cc1=O 1091751858 NYZQVVPNFHGJFY-ABAIWWIYSA-N 301.350 -0.302 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCN(c2ccc3nnnn3n2)CC1 1093179298 XLCZJVACFWZZMS-NSHDSACASA-N 315.337 -0.794 30 20 DBED N#Cc1cncc(NCCNC(=O)[C@H]2CCc3nn[nH]c3C2)n1 1093761168 TWRKXYNPNWWMTR-VIFPVBQESA-N 312.337 -0.200 30 20 DBED Cc1cc(=NCCNC(=O)C[C@@H](C)NC(N)=O)c(C#N)c[nH]1 1093885192 WDWGBZJWQUASKC-SNVBAGLBSA-N 304.354 -0.341 30 20 DBED N#Cc1cncc(NCCNC(=O)C[C@@H]2CCC(=O)NC2)n1 1093924224 IRFQQXABJDUMHD-JTQLQIEISA-N 302.338 -0.207 30 20 DBED Cc1cc(C(=O)NCc2cn(C3CN(CC#N)C3)nn2)n(C)n1 1094278562 KWYLTBGZVYSBRH-UHFFFAOYSA-N 314.353 -0.370 30 20 DBED C#CCNC(=O)CC(=O)NCCCNc1cc(COC)ncn1 1094372433 FNUNUKIAOBPPMR-UHFFFAOYSA-N 319.365 -0.319 30 20 DBED N#Cc1cccnc1NCCCNC(=O)CCn1cnnn1 1094542064 ZIVZNNCPEMZJOE-UHFFFAOYSA-N 300.326 -0.052 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)c3n[nH]c(C)c3O)CC2=O)C1 1094721849 MBOWTEJKLCVLDO-SNVBAGLBSA-N 317.349 -0.928 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)c3cn(C)nn3)CC2=O)C1 1094729838 LYANEGWVLHVRHU-SNVBAGLBSA-N 304.354 -0.984 30 20 DBED CCc1nc(C#N)cc(N2CC[C@@H](NC(=O)CNC(N)=O)C2)n1 1096322633 MPSPWXVRUWUTGM-SECBINFHSA-N 317.353 -0.726 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H]1CCCCN1C(=O)CNC(N)=O 1097473360 NAIIPWUFEWGFCE-LBPRGKRZSA-N 316.365 -0.164 30 20 DBED C[C@@H](CNC(=O)CSCC#N)Nc1nccn2nnnc12 1097676328 POOIPACMICUWAM-QMMMGPOBSA-N 306.355 -0.307 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H](C)Nc1ccc2nnnn2n1 1098060901 CQQKHRITCPTUIZ-NXEZZACHSA-N 303.326 -0.526 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H](C)Nc1nccn2nnnc12 1098061923 WXZJNUQSWDHHSL-NXEZZACHSA-N 303.326 -0.526 30 20 DBED Cc1cc(=N[C@@H](C)CNC(=O)C2CS(=O)(=O)C2)c(C#N)c[nH]1 1098070874 IHEXXPFZSWNQPF-JTQLQIEISA-N 322.390 -0.355 30 20 DBED C#CCCNCc1cn([C@H]2CCN(C(=O)CC(N)=O)C2)nn1 1098640907 NRJDAQGIEOAMNG-LBPRGKRZSA-N 304.354 -0.960 30 20 DBED Cc1ccoc1C(=O)N[C@@H]1CCN(CC(=O)NCC#N)C[C@H]1O 1099662720 CNNRXPDRUCPEJQ-VXGBXAGGSA-N 320.349 -0.607 30 20 DBED C#CCCCCC(=O)N[C@H]1CCN(CC(=O)N2CCC2)C[C@H]1O 1099785153 BDSBCFHQLXRCJL-LSDHHAIUSA-N 321.421 -0.036 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)C(C)(C)C(C)C)[C@@H](O)C1 1099845267 UYPWIOYAYUOVFP-KGLIPLIRSA-N 323.437 -0.031 30 20 DBED C#CCN1CC[C@@H](NC(=O)COCc2ccnn2C)[C@@H](O)C1 1099890233 OXADYCFWRKFZNM-KGLIPLIRSA-N 306.366 -0.879 30 20 DBED C=CCN1CC[C@@H](NC(=O)CS(=O)(=O)CC(C)C)[C@@H](O)C1 1099895569 YKJHFJSWXLVRIU-OLZOCXBDSA-N 318.439 -0.205 30 20 DBED C#CCN1CC[C@@H](NC(=O)CCNC(=O)C(C)(C)C)[C@H](O)C1 1099942167 NJUUJAKBCJKDKX-CHWSQXEVSA-N 309.410 -0.277 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)CCCS(N)(=O)=O)[C@@H](O)C1 1099982134 YJTWHVREHHRNFM-RYUDHWBXSA-N 319.427 -0.817 30 20 DBED Cc1nn(C)cc1CCC(=O)N[C@@H]1CCN(CC#N)C[C@H]1O 1100024292 HBIKCGAWOXGPIH-ZIAGYGMSSA-N 305.382 -0.264 30 20 DBED CCN(CCNC(=O)[C@@H]1CC[C@H]1C(N)=O)c1cnc(C#N)cn1 1100695494 XBXZGQYQUHGAPU-VXGBXAGGSA-N 316.365 -0.198 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1CNC(=O)[C@@H]1CC1(F)F 1101937093 RAMZHXCJEPHGNY-MXWKQRLJSA-N 314.336 -0.035 30 20 DBED CN(CCNc1nccnc1C#N)C(=O)CCc1cnn[nH]1 1101960680 WGEJNQMGYDCKDZ-UHFFFAOYSA-N 300.326 -0.031 30 20 DBED CC[C@H](CNC(=O)CNC(=O)OC)N=c1cc[nH]c(C#N)n1 1103022372 HIMZKTSYFRMMOB-SECBINFHSA-N 306.326 -0.567 30 20 DBED CC[C@H](CNC(=O)[C@@H]1CN(C)CCO1)Nc1nccnc1C#N 1103031420 YCWLAQAMSJDUHG-YPMHNXCESA-N 318.381 -0.014 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H](CC)Nc1nccn2nnnc12 1103197771 GDNHOQDGLQNJOS-WDEREUQCSA-N 317.353 -0.136 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H]1CN(c2ncc(F)cn2)CCO1 1104330442 PFTUQUYQKLMXBR-WCQYABFASA-N 322.340 -0.025 30 20 DBED CC(=O)N(C)CC(=O)N(C)CCN(C)c1cnc(C#N)cn1 1105329565 NYVWRUVULWLICI-UHFFFAOYSA-N 304.354 -0.279 30 20 DBED N#Cc1cnc(NC[C@@H](O)CNC(=O)Cn2cccn2)c(F)c1 1105722458 ONHQHOUBRKIGPW-NSHDSACASA-N 318.312 -0.122 30 20 DBED C#CCCCC(=O)NC[C@H](O)CNc1nc[nH]c2ncnc1-2 1105798821 MLCNBKQTOYLXHM-JTQLQIEISA-N 302.338 -0.003 30 20 DBED CCOC1CC(C(=O)NC[C@@H](O)CN=c2cc[nH]c(C#N)n2)C1 1105812716 FMPWXTYBJYWAFM-CXQJBGSLSA-N 319.365 -0.526 30 20 DBED CN1CC[C@H](C(=O)NC[C@@H](O)CNc2ccc(C#N)nc2)C1 1105853097 HELKIPGEBBETIF-FZMZJTMJSA-N 303.366 -0.206 30 20 DBED N#Cc1nc(=NC[C@H](O)CNC(=O)CCn2cccc2)cc[nH]1 1105946588 BAHQTLAHOLDWGB-LBPRGKRZSA-N 314.349 -0.449 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)CCNS(C)(=O)=O)C[C@H]1C 1106204560 ZSOKREIYMBAAEG-CHWSQXEVSA-N 315.439 -0.367 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)CN(C)S(C)(=O)=O)C[C@H]1C 1106205906 XEIUXPRYEOZUGN-CHWSQXEVSA-N 315.439 -0.415 30 20 DBED CCN(CCNc1ccc(C#N)nc1)C(=O)Cn1ncnn1 1106851484 FIVRLWDXAFZINE-UHFFFAOYSA-N 300.326 -0.100 30 20 DBED N#Cc1cnc(NC/C=C\CNC(=O)[C@H]2CCC(=O)NC2)cn1 1107592680 KPCBSLZZXVPFHP-BVBSBALXSA-N 314.349 -0.041 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](C)NC(=O)[C@H]2COCCO2)n1 1107650189 UABIODSJWFTVOZ-ZYHUDNBSSA-N 305.338 -0.011 30 20 DBED C[C@H](CNc1cncc(C#N)n1)NC(=O)[C@@H]1CCCN1C(N)=O 1107813402 GRYZJNMXNPCYFO-KOLCDFICSA-N 317.353 -0.192 30 20 DBED C[C@H](C#N)C(=O)NC[C@@]1(C)CN(CC(=O)N2CCCC2)CCO1 1107819661 SRDOAMQXYGZHFE-CJNGLKHVSA-N 322.409 -0.024 30 20 DBED CC(C)NC(=O)CN1CCO[C@](C)(CNC(=O)[C@@H](C)C#N)C1 1107820945 GJKADSQHVAWZQR-SWLSCSKDSA-N 310.398 -0.122 30 20 DBED C[C@H](CNc1ccc(C#N)nc1)NC(=O)CN1CC(=O)NC1=O 1107878093 FPUJEUFDAHQIMT-SECBINFHSA-N 316.321 -0.578 30 20 DBED C=CCCN1CCO[C@@](C)(CNC(=O)CN2CCNC(=O)C2)C1 1108117782 NLADAVCDSBQQKQ-INIZCTEOSA-N 324.425 -0.799 30 20 DBED C=CCOCC(=O)N[C@H]1CC(=O)N(C2CN(CC#CC)C2)C1 1108523288 GJWJDPFCVPXAHY-ZDUSSCGKSA-N 305.378 -0.386 30 20 DBED N#CCN1CC(N2C[C@H](NC(=O)/C=C\c3ccc[nH]3)CC2=O)C1 1108537163 NPPUARTTYCFEEA-DHCBQETCSA-N 313.361 -0.047 30 20 DBED C=CC(C)(C)CC(=O)N[C@H]1CC(=O)N(C2CN(CC(N)=O)C2)C1 1108548447 OGVGCDBETSTNRM-NSHDSACASA-N 322.409 -0.525 30 20 DBED CNC(=O)C1(C(=O)N[C@@H](C)CN(C)c2cnc(C#N)cn2)CC1 1109018569 PJGZRTVNYHFUEJ-JTQLQIEISA-N 316.365 -0.185 30 20 DBED Cn1cc(C(=O)N[C@H](CN=c2cc[nH]c(C#N)n2)C2CC2)nn1 1109829223 RWTFWYFWVQFWNK-SNVBAGLBSA-N 312.337 -0.481 30 20 DBED C[C@@]1(NC(=O)Cn2cncn2)CCN(c2nccnc2C#N)C1 1110760449 MHSIJSBDYGCYDP-CQSZACIVSA-N 312.337 -0.275 30 20 DBED COC[C@@H](C)C(=O)NC[C@]1(O)CCN(c2cnc(C#N)cn2)C1 1111043719 LQIFXBPRPJEMJT-IAQYHMDHSA-N 319.365 -0.312 30 20 DBED CCCOCC(=O)N(C)[C@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1111184485 MEOQMCCWMUEEAX-STQMWFEESA-N 319.365 -0.217 30 20 DBED COCC(=O)N[C@@]1(CO)CCCN(c2cncc(C#N)n2)C1 1111336022 GCMKRCNIMGKIFE-AWEZNQCLSA-N 305.338 -0.558 30 20 DBED N#Cc1cnc(NCC[C@H]2CCN(C(=O)CNC(N)=O)C2)cn1 1111593053 AOYUFPWDBAYDIL-JTQLQIEISA-N 317.353 -0.333 30 20 DBED N#Cc1cncc(NCC2(NC(=O)CC(N)=O)CCOCC2)n1 1112245099 BITKPGMXUSCJSP-UHFFFAOYSA-N 318.337 -0.699 30 20 DBED CCNC(=O)CC(=O)NC1CC(CN=c2cc[nH]c(C#N)n2)C1 1112831688 OLTDIQLWCDIMKE-UHFFFAOYSA-N 316.365 -0.397 30 20 DBED C[C@@H](CNC(=O)[C@]1(C)CNC(=O)C1)N(C)c1ccnc(C#N)n1 1113783491 HVMUSLOOZQPFPS-BONVTDFDSA-N 316.365 -0.185 30 20 DBED CCO[C@H](C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21)C1CC1 1114291524 ZTJLSPURLGHVGG-MXYBEHONSA-N 320.393 -0.512 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)[C@@H]3C[C@@H]4C[C@@H]4C3)[C@@H]2C1 1114721394 OLODGKJDEOFZTI-MBJXGIAVSA-N 301.390 -0.172 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)Cc3cnoc3)[C@H]2C1 1114727747 YEXSCKZEUBZSIU-DRZSPHRISA-N 316.361 -0.599 30 20 DBED Cc1cc(C#N)nc(NCCCOCCNC(=O)C(N)=O)n1 1115447375 HTTHTLGQYMWLON-UHFFFAOYSA-N 306.326 -0.923 30 20 DBED CCN(C)C(=O)CNC(=O)C(=O)NCCc1ccc(C#N)cc1 1118639375 PJWDSECGEPQTPA-UHFFFAOYSA-N 316.361 -0.189 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)Nc2cnn(CCF)c2)C1 1118874541 DWZSGUFKKIORGD-ZDUSSCGKSA-N 309.301 -0.332 30 20 DBED N#Cc1cncc(N[C@H](CO)CNC(=O)C2=CCOCC2)n1 1121339907 OLRNTKFWDFQGHO-LBPRGKRZSA-N 303.322 -0.416 30 20 DBED CC(C)N(C)CC(=O)NC[C@@H](CO)Nc1cncc(C#N)n1 1121670122 ROMJOTCWHMHYIA-LBPRGKRZSA-N 306.370 -0.423 30 20 DBED N#Cc1cnc(N[C@H](CO)CNC(=O)[C@]2(F)CCOC2)cn1 1122411518 QOPSLKGUCQYCPD-GWCFXTLKSA-N 309.301 -0.634 30 20 DBED CN(C[C@H](O)CNc1cnc(C#N)cn1)C(=O)CC1(O)CCC1 1124278237 GOPHUBODQKEMIR-GFCCVEGCSA-N 319.365 -0.115 30 20 DBED C#CCCCC(=O)NCCNCC(=O)N(C)CC(=O)NCCC 1126356769 QTZZWNVSTXDHGJ-UHFFFAOYSA-N 324.425 -0.520 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCNCC(=O)NC(=O)NCCC 1126365579 LBCROFXHWQDWJK-CQSZACIVSA-N 314.386 -0.745 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)C[C@](C)(O)C=C 1126366461 VVXIFIILZDPFGQ-CQSZACIVSA-N 312.370 -0.969 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1ccc(C(F)F)nc1 1129016930 ILTSVFQFUDGQSN-UHFFFAOYSA-N 311.292 -0.022 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)c1cnc2n1CCOC2 1129897696 NCRXNLZDMMCLTQ-NSHDSACASA-N 321.381 -0.577 30 20 DBED CC#CCNC[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)COC)n1 1130177449 AQSXXVYPUFMINV-RYUDHWBXSA-N 321.381 -0.447 30 20 DBED CCC(=O)NCc1c[nH]nc1[C@@H]1CCN(CC(=O)NCC#N)C1 1130329672 YHXPSZOIXZYHBY-LLVKDONJSA-N 318.381 -0.135 30 20 DBED C#CCCCCC(=O)N1C[C@@H]2C[C@@H]3CN(CC(N)=O)C[C@]2(C1)O3 1131218223 YITUZTAWVNRODQ-JJRVBVJISA-N 319.405 -0.033 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CC(=O)N(CCC)C1 1134502765 GLLQHIZVDXIKFD-OLZOCXBDSA-N 324.425 -0.359 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)NCCN[C@H](C)C(=O)NC1CC1 1134821132 LDQVYLJGZOHYEB-BXUZGUMPSA-N 324.425 -0.170 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@H]1CCN(C(=O)CC)C1 1146896467 QUGVLCYSISLTBO-LBPRGKRZSA-N 310.398 -0.747 30 20 DBED C=CCOCCNCCNC(=O)Cn1nc2n(c1=O)CCCC2 1146896794 YCELQXLPIRUYKJ-UHFFFAOYSA-N 323.397 -0.711 30 20 DBED C=CCNC(=O)[C@H](C)N1CCC2(CN(C(=O)CC(N)=O)C2)C1 1147273902 CWTGIFFMMFHRQE-NSHDSACASA-N 308.382 -0.913 30 20 DBED CC#CCN1CCCO[C@@H](CNC(=O)C(=O)NCC2CC2)C1 1150519553 XRPYILVXOPXUBJ-AWEZNQCLSA-N 307.394 -0.257 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1cccc(NC(N)=O)c1 1150558446 ZVQQKINOJFNXKE-UHFFFAOYSA-N 318.337 -0.864 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)Cc1ccn(C)n1 1153273594 OINJLLNUCSRRAZ-CYBMUJFWSA-N 319.409 -0.461 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H](C)N(CC)Cc1nc(=O)n(C)[nH]1 1153327935 XFSXZUCMJXSMCL-VXGBXAGGSA-N 323.397 -0.527 30 20 DBED N#CCNC(=O)CN1CC=C(CCNC(=O)c2cc[nH]n2)CC1 1159345059 BJJSNISOTVJSPL-UHFFFAOYSA-N 316.365 -0.199 30 20 DBED CCNC(=O)CC(=O)NCC1(COC)CCN(CC#N)CC1 1162219180 UYTBMXXPFMXMHL-UHFFFAOYSA-N 310.398 -0.119 30 20 DBED COCC1(CNC(=O)C2(C(N)=O)CC2)CCN(CC#N)CC1 1162457908 AZTDWWUGJLUPPC-UHFFFAOYSA-N 308.382 -0.380 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@@]1(COC)CCOC1 1163379519 FNSLDBSMRVHUFI-OAHLLOKOSA-N 313.398 -0.562 30 20 DBED C#CCNC(=O)CNCC1(CCNC(=O)c2ccnnc2)CC1 1167316968 VNOJCXQRAPJBJX-UHFFFAOYSA-N 315.377 -0.284 30 20 DBED C#CCNC(=O)CNCCCC[C@@H](C)NC(=O)Cn1nccn1 1170997895 LSJQWOCLGYWYIP-CYBMUJFWSA-N 320.397 -0.708 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)Cn1ccccc1=O 1175732392 GMAYYPGZMJLWHT-CYBMUJFWSA-N 320.393 -0.365 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)c2cnn(C)c2N)[C@H]1C 1178525582 OKQXNBKRELNMTF-JQWIXIFHSA-N 320.397 -0.503 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2csnn2)[C@H]1C 1179244704 DEZJLNMRGSVBEJ-UWVGGRQHSA-N 307.379 -0.520 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)C2CCOCC2)C1 1180628144 RXGJBECNDTYIBV-TZMCWYRMSA-N 307.394 -0.259 30 20 DBED C#CCNC[C@]1(C)CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@H]1C 1181517529 IJBFVPKXRDAVBA-IAQYHMDHSA-N 318.381 -0.916 30 20 DBED C#CCCNC[C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)C[C@@H]1C 1185328580 XQGZAFGUZSPKDK-STQMWFEESA-N 320.393 -0.364 30 20 DBED COCC#CCN1C[C@@H]2CCN(C(=O)Cc3nc[nH]n3)[C@@H]2C1 1189743005 YXSBFRDRMMVKHT-QWHCGFSZSA-N 303.366 -0.470 30 20 DBED CCN(CCC#N)C(=O)CN1C[C@@H](O)[C@H](NC(=O)C2CCC2)C1 1190601871 QJZWJHHAHLDUBG-ZIAGYGMSSA-N 322.409 -0.290 30 20 DBED CN(CC(=O)NCC#N)[C@H]1CCN(C(=O)c2csnn2)C1 1191585013 CPAPBUJMPPLNDR-VIFPVBQESA-N 308.367 -0.676 30 20 DBED Cc1cc(NC(=O)CN2C[C@@H](O)[C@H](NC(=O)[C@H](C)C#N)C2)no1 1191865642 ZGERSUWLEVGPKB-FBIMIBRVSA-N 321.337 -0.758 30 20 DBED CNC(=O)NC(C)(C)C(=O)N1CC[C@@H](N(C)CC#CCOC)C1 1194265873 HQGXMVJMVDUTIJ-CYBMUJFWSA-N 324.425 -0.124 30 20 DBED C=CCNC(=O)[C@H](C)N1CCCN(C(=O)c2cnn(C)n2)CC1 1197435625 MPRFFVBJBQUXLT-LBPRGKRZSA-N 320.397 -0.346 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)Cn2ccnc2C)C1 1198671243 DGIRTVRMPHJRQX-ZIAGYGMSSA-N 308.382 -0.445 30 20 DBED CCn1cccc1C(=O)N[C@@H]1CN(CC#CCOC)C[C@H]1O 1198690502 YHVXAUYIQLBRSV-UKRRQHHQSA-N 305.378 -0.067 30 20 DBED C=CCC[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)c2cn(C)c(=O)n2C)C1 1199156172 ZIGGAYMCLYKGPS-YRGRVCCFSA-N 322.409 -0.147 30 20 DBED CC(F)(F)C(=O)N1CCCO[C@@H](CNCC(=O)NCC#N)C1 1199683522 RTQLAHMNTFDWEF-JTQLQIEISA-N 318.324 -0.512 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)[C@H]2CC(=O)N(C)C2)CCCO1 1200626924 DZOAKVBCHAGLQC-UONOGXRCSA-N 307.394 -0.305 30 20 DBED C#CCNC[C@H]1CN(C(=O)[C@@H]2CCNC(=O)CC2)CCCO1 1201081313 UZXLIRKDXXZSDR-KBPBESRZSA-N 307.394 -0.257 30 20 DBED C=CCCNC[C@H]1CN(C(=O)[C@H]2CN(C)C(=O)N2)CCCO1 1201156711 ZZKNJKLXHFYWCM-QWHCGFSZSA-N 310.398 -0.207 30 20 DBED COCC#CCNC[C@H]1CN(C(=O)[C@@H]2CCC(=O)N2)CCCO1 1201892626 ZXMFDPZFOLQZLO-KBPBESRZSA-N 323.393 -0.878 30 20 DBED C=CCOCCNC1CCN(C(=O)[C@@H]2CN(C)C(=O)N2)CC1 1201967134 RFAFPQCWEBTKQS-ZDUSSCGKSA-N 310.398 -0.207 30 20 DBED N#CCN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)C(=O)NCC(F)F)C2 1204512208 VAOQTDRSQWOGGG-OPRDCNLKSA-N 300.309 -0.140 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)[C@@H](C)NC(C)=O)[C@H](C)C1 1205858832 KPLIZZRYIHPDCN-NQBHXWOUSA-N 310.398 -0.750 30 20 DBED Cc1cc(C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@H]2C)on1 1205958635 CVTIQCHGDDQIEX-MWLCHTKSSA-N 305.338 -0.327 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)C2=COCCC2)[C@H](C)C1 1206479620 QBUBBDNKEAWZQP-TZMCWYRMSA-N 305.378 -0.133 30 20 DBED CC#CCN[C@@H]1CCCN(C(=O)CN2CCN(C)C(=O)C2)C1 1208454040 RGBLIEFHKQXIEE-CQSZACIVSA-N 306.410 -0.636 30 20 DBED C#CCCN[C@H]1CCCN(C(=O)Cn2ccc(O)nc2=O)C1 1208508037 UGXVTNNBLKLYEM-LBPRGKRZSA-N 304.350 -0.447 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)c2[nH]nnc2C)C1 1208910289 PEBNXBFUNTVMAN-VXGBXAGGSA-N 318.381 -0.555 30 20 DBED COCC#CCN[C@@H]1CCCN(C(=O)CCc2cnn[nH]2)C1 1209691504 WQRJGSXVFDGLDC-CQSZACIVSA-N 305.382 -0.032 30 20 DBED C=CCNC(=O)[C@H](C)N[C@H]1CCCN(C(=O)CC(=O)N(C)C)C1 1210029725 REFKZXRQYFPLCP-STQMWFEESA-N 324.425 -0.264 30 20 DBED CO[C@@H]1CN(Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)[C@@H](C)C#N 1212039901 XJVUMCWUWXAFFO-IACUBPJLSA-N 318.377 -0.140 30 20 DBED C=CCOCCN1C[C@@H](NC(=O)c2cnc(O)n2C)[C@H](OC)C1 1213256543 ISKHPBZXRCNGCE-DGCLKSJQSA-N 324.381 -0.243 30 20 DBED COCCOC[C@H](O)CN[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C 1214579746 LGZPMIONKBFZBW-FVQBIDKESA-N 324.421 -0.140 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)c2c(C)ncn2C)C[C@H]1C 1214905012 UIOLSLIBPKCQIR-DGCLKSJQSA-N 317.393 -0.472 30 20 DBED COc1nc(C(=O)N2C[C@@H](NCC(=O)NCC#N)[C@H](C)C2)co1 1215237332 XFFGCDOCNBJBHH-NXEZZACHSA-N 321.337 -0.627 30 20 DBED COCC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CCCN1C 1217532324 IHSOIRPCZPXMKF-HRCADAONSA-N 321.421 -0.358 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2ccn(C)n2)C[C@@H]1O 1219605541 VTGJWSLGUDBDEZ-YUTCNCBUSA-N 306.366 -0.880 30 20 DBED C=C[C@H](CC)CC(=O)N[C@@H]1CN(CCS(C)(=O)=O)C[C@@H]1O 1220203708 OGWJKGQHJYKTAI-UPJWGTAASA-N 318.439 -0.205 30 20 DBED C=CCCN1CCC(CNC(=O)CN2C(=O)CNC2=O)CC1 1225372168 JQUICNHRIYYNIR-UHFFFAOYSA-N 308.382 -0.058 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)c2ccc(C#N)[nH]2)CC1 1226891012 DZHZXIZCSRRIMT-UHFFFAOYSA-N 313.361 -0.170 30 20 DBED C#CCCN[C@@H]1CCCC[C@H]1NC(=O)CNS(=O)(=O)NC 1227742001 ICNSNEGJXHOGTL-VXGBXAGGSA-N 316.427 -0.920 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)CCc2cnn[nH]2)CC1 1229261987 JYIYWMHQUQHBOL-UHFFFAOYSA-N 320.397 -0.380 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)[C@@H](CC)NC(C)=O)CC1 1229322865 UPLRKNSRCQLYRH-CQSZACIVSA-N 322.409 -0.769 30 20 DBED CN(C[C@H]1CCN1CC(=O)NCC#N)C(=O)[C@H]1CCCOCC1 1233926635 PYRQHLJXSWFKQA-UONOGXRCSA-N 322.409 -0.024 30 20 DBED C#CCOCCC(=O)N(C)C[C@H]1CCN1[C@@H]1CCN(C)C1=O 1234246592 QUUFHHQXYHLQEH-ZIAGYGMSSA-N 307.394 -0.210 30 20 DBED C=CCOCC(=O)NCCCN(C)CCOCCNC(C)=O 1235683172 GKPWYSOCQMLRGM-UHFFFAOYSA-N 315.414 -0.220 30 20 DBED C=CCN(C(=O)c1cccc(C(N)=O)n1)[C@@H]1CCS(=O)(=O)C1 1254435532 WCUSBTPPINOWIT-SNVBAGLBSA-N 323.374 -0.004 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CCN(CC(C)C)C(=O)C1 1261154828 SRFVRDIRFMPWQH-GFCCVEGCSA-N 311.382 -0.370 30 20 DBED C[C@H]1c2nncn2CCN1C(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1261487057 MQMAHPDJDICFFG-HZMBPMFUSA-N 318.337 -0.942 30 20 DBED C=CCN(C(=O)[C@H](C)CS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1318941028 WUBJZNORIRRJHA-MNOVXSKESA-N 323.436 -0.131 30 20 DBED C#CCN(C)C(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 1321874379 YXYDZJPVVFVBPG-SNVBAGLBSA-N 311.363 -0.757 30 20 DBED C#CCOCCNC(=O)C(=O)NC[C@H](C)Cn1ccnc1C 1322316299 QBBMRMIDJXFSEN-LBPRGKRZSA-N 306.366 -0.290 30 20 DBED C=CCCCNC(=O)C(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1 1323677217 JVDCMJQNRRUEGW-NSHDSACASA-N 317.411 -0.439 30 20 DBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H]1CCN(C)C1=O 1324167427 QFJNSVHWBSENDT-SRVKXCTJSA-N 309.366 -0.569 30 20 DBED CC(C)[C@@H](CNC(=O)C(=O)Nc1cnn(CC#N)c1)C(=O)O 1326845655 JTFHLFGCZKOGOJ-SNVBAGLBSA-N 307.310 -0.182 30 20 DBED CC(C)C#CC(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 1327784490 XQNHWZITMOQKAP-NSHDSACASA-N 300.380 -0.545 30 20 DBED C=C(C)CN(C)C(=O)C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 1328455694 IMWXJZBDLBOMRM-LLVKDONJSA-N 317.411 -0.439 30 20 DBED C[C@H](N)CN(C)C(=O)C(=O)N1CC(Oc2ccc(C#N)cc2)C1 1329162684 IQOCEJDATXCNEJ-NSHDSACASA-N 316.361 -0.047 30 20 DBED C#C[C@H](NC(=O)C(=O)N(C)Cc1nc(C)no1)[C@@H]1CCCO1 1329999874 HYDPXFIUQWVYJH-QWRGUYRKSA-N 306.322 -0.367 30 20 DBED CCN(CCN)C(=O)C(=O)N1CC(Oc2ccc(C#N)cc2)C1 1331773250 FSELAXVJCKAFEQ-UHFFFAOYSA-N 316.361 -0.045 30 20 DBED C[C@H](O)CC(C)(C)CNC(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1332243240 IOYNXCWTDJPMFS-NHYWBVRUSA-N 311.382 -0.223 30 20 DBED COCCN(CCN(C)C)C(=O)C(=O)Nc1cnn(CC#N)c1 1334474159 DCGVIGTXNWGNPS-UHFFFAOYSA-N 322.369 -0.618 30 20 DBED C#CCN1CCN(c2nnc(C3=NO[C@@H](CO)C3)n2C)CC1 1338434204 QHJDHYJXSPPOIH-LLVKDONJSA-N 304.354 -0.944 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cccc(F)n1 1345228700 HHZBNNKOPSFFHA-UHFFFAOYSA-N 315.326 -0.124 30 20 DBED CC(C)(C)N1CC[C@H](NC(=O)C(=O)N2CCO[C@@H](C#N)C2)C1=O 1349271894 MKUUHEVRRPUYEY-QWRGUYRKSA-N 322.365 -0.747 30 20 DBED CCN1CC[C@@H](CNC(=O)CCn2cc(C#N)c(O)nc2=O)C1 1361952570 KJXQLYFVVTVNSF-NSHDSACASA-N 319.365 -0.331 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@H](C)c1nnnn1C 1364992010 UCHZZDUXEBSFAO-DTWKUNHWSA-N 301.376 -0.413 30 20 DBED CN(C[C@H](O)CNC(=O)c1ccc(C#N)[nH]1)C(=O)c1ccon1 1370965686 OUHSTMQROKXJFI-SNVBAGLBSA-N 317.305 -0.263 30 20 DBED Cn1nccc1CN1CC(O)(CNC(=O)c2cc(C#N)c[nH]2)C1 1376153680 KEHDDPHMANNQAJ-UHFFFAOYSA-N 314.349 -0.403 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNCC(=O)N1CCCCCC1 1379183417 HJBHFUWIMGQJCL-QWHCGFSZSA-N 310.398 -0.385 30 20 DBED CN(C[C@@H](O)CNCc1ncnn1C)C(=O)c1cc(C#N)c[nH]1 1382402805 RYECPDMOWLYXRI-NSHDSACASA-N 317.353 -0.762 30 20 DBED CCN(C)C(=O)CN1CC(O)(CNC(=O)c2cc(C#N)c[nH]2)C1 1393306498 FQGUDXKBSMRPSB-UHFFFAOYSA-N 319.365 -0.859 30 20 DBED N#Cc1ccc(S(=O)(=O)NC[C@H]2CCN(C(N)=O)C2)cn1 1413404099 LBAVLGCIZDRLNK-SECBINFHSA-N 309.351 -0.368 30 20 DBED Cn1cc(C(=O)CNS(=O)(=O)c2cncc(C#N)c2)cn1 1413458458 TXNSXZRXIOGIDH-UHFFFAOYSA-N 305.319 -0.152 30 20 DBED C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCC[C@@H](C#N)C1 1422219008 UHKIRZXBPDPSRU-ZJUUUORDSA-N 319.365 -0.527 30 20 DBED CC(C)S(=O)(=O)CC(=O)NC[C@@H](C)NC(=O)[C@@H](C)C#N 1430552107 XTLHIOUNEOPKEQ-VHSXEESVSA-N 303.384 -0.410 30 20 DBED CN(CCS(N)(=O)=O)C(=O)c1ncc(C#N)cc1Cl 1434348372 KBCBDLAKZSEYGI-UHFFFAOYSA-N 302.743 -0.033 30 20 DBED CNC(=O)NC(=O)CN1CC2(CCN(C(=O)[C@H](C)C#N)CC2)C1 1444548063 QWOLJRLLOXWAHD-LLVKDONJSA-N 321.381 -0.474 30 20 DBED COCCN(CCNC(=O)[C@@H](C)C#N)C(=O)c1cn(C)nn1 1452147986 BJYOZLJACPHYET-JTQLQIEISA-N 308.342 -0.820 30 20 DBED CCCc1n[nH]cc1C(=O)NC[C@H](O)CNC(=O)[C@H](C)C#N 1458025798 WGBYCXAJRUKAMH-NXEZZACHSA-N 307.354 -0.271 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)C[C@H](C)n2cccn2)C1 1479967842 OAUARLRRQNWSRX-UONOGXRCSA-N 317.393 -0.226 30 20 DBED COCC#CCN1CCO[C@H](CNC(=O)C[C@H]2CCOC2)C1 1482199740 SFNHDVNSQPZICS-HUUCEWRRSA-N 310.394 -0.120 30 20 DBED C=C(Br)CNC[C@@H](O)CNC(=O)c1cnnn1C 1482725414 WDAXBBKVZRRNAJ-MRVPVSSYSA-N 318.175 -0.596 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1C[C@H](NCC(=O)NC2CCOCC2)C1 1488815827 CPIHMURFUWTNAA-YRGRVCCFSA-N 322.409 -0.074 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)c2cccc(C(N)=O)n2)CC1 1506191635 QGSXFQTUBWYESC-SECBINFHSA-N 315.333 -0.281 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1c[nH]c2ncccc12 1533269001 OWFPIIASNALREM-UWVGGRQHSA-N 315.333 -0.071 30 20 DBED Cn1ncc(C(=O)NCC2(NC(=O)c3cc(C#N)c[nH]3)CC2)n1 1535616160 OJEMDWXJQJDXQC-UHFFFAOYSA-N 313.321 -0.293 30 20 DBED C#CCN(C(=O)Cn1cc(C(=O)OC)cn1)C1CCNCC1 1574583843 OTAJRKKFSZFGEY-UHFFFAOYSA-N 304.350 -0.117 30 20 DBED C=C(C)C[C@@H](NC(=O)[C@@]1(F)CNCC12COC2)C(=O)OC 1574830700 JTHXLNBWRFHTKE-YGRLFVJLSA-N 300.330 -0.062 30 20 DBED C=CCOC[C@@H](NC(=O)C1CC2(CNC[C@H]2C#N)C1)C(=O)OC 1574944226 ZWDONRFSPZPZHC-LGESCRJUSA-N 321.377 -0.014 30 20 DBED C=CCNC[C@@H]1CN(C(=O)[C@H](C)OCc2cnn[nH]2)CCO1 1575108952 STGYDNIOHPYAQT-WCQYABFASA-N 309.370 -0.287 30 20 DBED C#CC1(O)CN(CC(=O)Nc2sccc2-c2nn[nH]n2)C1 1588333367 NYCOQSAETBWJLT-UHFFFAOYSA-N 304.335 -0.453 30 20 DBED C#CCN(CC(=O)O)S(=O)(=O)c1ccc2c(c1)nnn2C 1588426448 KCSBBEADLNKWNQ-UHFFFAOYSA-N 308.319 -0.323 30 20 DBED C#CCCCC(=O)NC1(CCO)CN(C(=O)[C@H]2C[C@@H]2C(=O)O)C1 1588435069 BHFJROMCJMMPLT-RYUDHWBXSA-N 322.361 -0.410 30 20 DBED C#CCN(C)C(=O)C(=O)N1C[C@H](C(=O)O)Oc2ccccc21 1588461501 SBWMMLACOABKDE-GFCCVEGCSA-N 302.286 -0.043 30 20 DBED CC(C)C#CC(=O)N[C@H](C)CN=c1cc[nH]c(-c2nn[nH]n2)n1 1589389850 POTHMWMCNYGQSZ-SNVBAGLBSA-N 314.353 -0.345 30 20 DBED CC(C)(C(=O)O)N1CCN(C(=O)Cn2cnc(C#N)n2)CC1 1589623154 UDLKIVHTYVIXTK-UHFFFAOYSA-N 306.326 -0.843 30 20 DBED CC1(NC(=O)[C@@H]2C[C@H]2C(=O)O)CCN(CC(=O)NCC#N)CC1 1594051183 AVUSGLRHERMNLS-GHMZBOCLSA-N 322.365 -0.682 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1CC2CC1(C(=O)O)C2 1599235743 OCDDPZSIGGGFGU-UHFFFAOYSA-N 317.367 -0.358 30 20 DBED N#Cc1ccc(NC(=O)C(=O)N2CCO[C@H](C(=O)O)C2)cc1F 1601106973 LUEUYRGCBYFTAU-NSHDSACASA-N 321.264 -0.052 30 20 DBED C=CCNC(=O)[C@H](C)OC(=O)[C@@H](C)n1cnc(-c2nn[nH]n2)n1 1602864244 ZGBIDTHBXSKIKR-SFYZADRCSA-N 320.313 -0.747 30 20 DBED C=CCN(CC=C)C(=O)C(=O)N1C[C@H](C(=O)O)[C@@H](C(=O)OC)C1 1602887724 KYCCQTGHXXHDMQ-QWRGUYRKSA-N 324.333 -0.481 30 20 DBED CN(C(=O)[C@H]1C[C@H]1C(=O)O)C1CN(C(=O)c2ccc(C#N)[nH]2)C1 1605955956 CSTBQSYEEAFISR-WDEREUQCSA-N 316.317 -0.110 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@H](NC[C@H](O)COC)C2)nc1 1690255441 MGGSFRDGPVPMPX-KBPBESRZSA-N 303.362 -0.126 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@H](NC(=O)CCc2cc(C)on2)C1 1752664197 PDTDKXNFFDBJFD-HDJSIYSDSA-N 318.377 -0.098 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@@H](NC(=O)[C@H]2C[C@]23CCOC3)C1 1752771798 CEJAZYOCUBZWPC-IATRGZMQSA-N 305.378 -0.601 30 20 DBED N#CCNCCNC(=O)[C@H]1CCCN(C(=O)c2cccnn2)C1 1752927133 NKUZIRIWDVBPRX-LBPRGKRZSA-N 316.365 -0.442 30 20 DBED C#CCNC(=O)[C@H](C)N1CC(CNC(=O)[C@@H](C)NC(=O)CC)C1 1753402667 AOOJIVSOAVPMKQ-NEPJUHHUSA-N 322.409 -0.913 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@H](NC(=O)[C@H](CC)N(C)C)C1 1753428659 MQXFBAQFSZHLPG-RDBSUJKOSA-N 308.426 -0.345 30 20 DBED CC[C@H](CNC(=O)CC1CCOCC1)NCC(=O)NCC#N 1753468686 LKYIAKRIKLWJRW-CYBMUJFWSA-N 310.398 -0.073 30 20 DBED C#CCCN[C@@H]1CCN(C(=O)CN2CC(=O)N(C)C2=O)C[C@@H]1C 1753761898 ODRCJLFDCNTNFJ-QWHCGFSZSA-N 320.393 -0.270 30 20 DBED N#CCNC(=O)CNC/C=C/CNC(=O)[C@H]1C[C@H]2C=C[C@H]1O2 1754141770 KADAPBSCVXLLEL-VYSBPOKJSA-N 304.350 -0.768 30 20 DBED C#CCCN1CC(O)(CNC(=O)c2cnc3c(cnn3C)c2)C1 1754777296 NJKWNKIMJZBSFU-UHFFFAOYSA-N 313.361 -0.232 30 20 DBED C=C(C)CN1CC(CCO)(NC(=O)[C@@H]2CC(=O)N(CC)C2)C1 1755333270 DEOGRWVESOESJK-CYBMUJFWSA-N 309.410 -0.016 30 20 DBED CC#CCN(C)CCOCCNC(=O)[C@@H]1CCCN(C(N)=O)C1 1755541824 NSVPJBZUFJRRHF-CQSZACIVSA-N 324.425 -0.135 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H](CO)NCc1cncc(C)c1 1755627146 DJZKQRGSVQMQGO-ZFWWWQNUSA-N 305.378 -0.005 30 20 DBED C[C@@H](C(=O)N(C)C[C@H](O)CNCC(=O)NCC#N)n1cccc1 1755777325 KZTWWVTVKMRKLJ-QWHCGFSZSA-N 321.381 -0.902 30 20 DBED C[C@H](NC(=O)CC(=O)N(C)C)[C@@H](C)NC(=O)c1c[nH]c(C#N)c1 1755964607 MCLWSDQDIBXSFC-VHSXEESVSA-N 319.365 -0.012 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H]1C[C@H](NC(=O)[C@@H]2COCCO2)C1 1756245041 ZBQJLQWPRPYSNP-SYQHCUMBSA-N 324.377 -0.549 30 20 DBED C=CCCC(=O)N[C@H](C)C[C@@H](C)NC(=O)Cn1ncn(C)c1=O 1756816340 YGUBAZCJLQJPCI-VXGBXAGGSA-N 323.397 -0.053 30 20 DBED C=CCCC(=O)N[C@@H]1CN(C(=O)[C@H]2CCCC(=O)N2)C[C@H]1OC 1757120793 LYHRVVQNEJJOKZ-JHJVBQTASA-N 323.393 -0.037 30 20 DBED C#CCCCCC(=O)N1CC[C@H]1CN(C)C(=O)Cn1ncnn1 1757287329 DCGJQVVCEYQLOA-ZDUSSCGKSA-N 318.381 -0.074 30 20 DBED N#C[C@H]1CN(c2nnnn2CCCN2CCOCC2)CCO1 1771936577 BBYXVEYYWDWQOR-LBPRGKRZSA-N 307.358 -0.876 30 20 DBED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C(/C)C(=O)O)C[C@@H]21 1790794645 ZYOZZLHXKVDBGN-QMFTVASPSA-N 320.345 -0.370 30 20 DBED O=C(O)C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1CC(O)C1)C2 1801986732 YQLNGIPWKCZOLM-UOARYYOJSA-N 320.345 -0.517 30 20 DBED N#Cc1ccc(Cl)c(S(=O)(=O)NC[C@H](O)C(=O)O)c1 130616192 LESXCOHISYSELQ-QMMMGPOBSA-N 304.711 -0.065 30 20 DBED CN(C)/C(N)=N/CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 170911791 NETRYOXFSAXBHO-UHFFFAOYSA-N 315.355 -0.251 30 20 DBED C#CCN(C)S(=O)(=O)CCCS(=O)(=O)N(C)CC#C 195469578 SKWPLXCYOCKCRR-UHFFFAOYSA-N 306.409 -0.834 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(C(=O)O)CC2)C1=O 262061125 ZDNQOLBVKRRTTB-UHFFFAOYSA-N 323.305 -0.714 30 20 DBED C=CCNC(=O)CN1CCC[C@H](CNC(=O)[C@H]2CCCN2)C1 262303899 OWNWLUNZCNINIV-ZIAGYGMSSA-N 308.426 -0.131 30 20 DBED CC(C)CO[C@@H](C)/C(N)=N/OCc1cc(=O)n(C)c(=O)n1C 266236535 VYPREFWLYWGWJL-JTQLQIEISA-N 312.370 -0.066 30 20 DBED C[C@@H](CO)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 269574252 QAMOXSSHYQVWTF-UWVGGRQHSA-N 311.363 -0.278 30 20 DBED C#CCOc1ccccc1NC(=O)C(=O)N(C)CC(=O)NC 274704529 RLVCTGPBEIHGDM-UHFFFAOYSA-N 303.318 -0.159 30 20 DBED C#CCCCCC(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)OC 275288772 OFHNALPOAPPIRI-LLVKDONJSA-N 301.364 -0.021 30 20 DBED C=C[C@@H](CO)NC(=O)[C@@H](C)NC1=NS(=O)(=O)c2ccccc21 290604105 NITWOFLKHGVVFY-ZJUUUORDSA-N 323.374 -0.223 30 20 DBED O=C(N1CCCC1)[C@@]1(O)CCCN(/C(O)=N/[C@@H]2[C@H]3COC[C@H]32)C1 329166555 HVYFGJODFUPSEF-LMOYCYGVSA-N 323.393 -0.006 30 20 DBED Cc1nc(C(C)(C)N/C(O)=N/CC(=O)N2CCOCC2)no1 329262093 FYZHECPGRQXFQM-UHFFFAOYSA-N 311.342 -0.024 30 20 DBED CCN1CCCN(/C(O)=N/CCN2CCN=C(O)C2)CC1=O 329870489 BQYQLQWEFUIBHG-UHFFFAOYSA-N 311.386 -0.273 30 20 DBED CC(C)N1CCC(O)(C/N=C(/O)N[C@H]2CCN(C)C2=O)CC1 329952184 IRBOCAPJOBCAGS-LBPRGKRZSA-N 312.414 -0.044 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@H](CO)c1cnn(C)c1 330371393 IVGPFDWUGKDLRN-CMPLNLGQSA-N 315.399 -0.231 30 20 DBED CNC(=O)CN1CCN(C(O)=Nc2cnn(CCOC)c2)CC1 330462028 YEDAAWRNPOOIQJ-UHFFFAOYSA-N 324.385 -0.561 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)NCC(=O)NCC(F)(F)F 337948121 KNJFODJRLUUHLN-SSDOTTSWSA-N 316.305 -0.267 30 20 DBED CN(CCNC(=O)N(C)C)CC(=O)N(CCC#N)CCC#N 355029037 IMLAPYZXWSDGKZ-UHFFFAOYSA-N 308.386 -0.155 30 20 DBED C=C[C@@H](CO)NC(=O)CNS(=O)(=O)c1c[nH]c2ncccc12 356857071 FUIMJSFGUXVHEH-VIFPVBQESA-N 324.362 -0.496 30 20 DBED CC(C)(O)CN1CCN(C(=O)NCCn2cnc(C#N)n2)CC1 357878592 MOHFLQQXBMTLEE-UHFFFAOYSA-N 321.385 -0.752 30 20 DBED CN(CCC#N)S(=O)(=O)NCCNC(=O)c1cccnc1 359382544 UZWVRQCUQZLJCF-UHFFFAOYSA-N 311.367 -0.509 30 20 DBED N#CCCCC(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 360250610 IUEGQOWEWAOVRA-CYBMUJFWSA-N 308.382 -0.270 30 20 DBED C=CCOC[C@@H](NS(=O)(=O)C[C@H]1CCCO1)C(=O)OC 360613426 ONVVRWZDXUGAOB-GHMZBOCLSA-N 307.368 -0.171 30 20 DBED C=CCOC[C@@H](NC(=O)c1cnc(C(=O)OC)cn1)C(=O)OC 360749370 YTOVLYSMVFOJBO-LLVKDONJSA-N 323.305 -0.263 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCN(C(C)=O)CC1 407955554 RRKXKDFVNRNZOV-NSHDSACASA-N 302.400 -0.123 30 20 DBED C[C@@H]1CNCCN1C(=O)C(=O)NCCOc1ccc(C#N)cc1 419467590 SWLCUWOOPUUFEM-GFCCVEGCSA-N 316.361 -0.126 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N1CC[C@H](CS(C)(=O)=O)C1 490474737 DSOUGEJHQLTMSO-QWRGUYRKSA-N 323.440 -0.168 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)COC(F)F)CC1 491210387 SYXIWYAOSGPUNU-UHFFFAOYSA-N 303.309 -0.491 30 20 DBED CCOC(=O)N[C@H]1CCCN(C(=O)Cn2cnc(C#N)n2)C1 493358160 OYJFGAOTNKUUCL-JTQLQIEISA-N 306.326 -0.113 30 20 DBED COC(=O)NCCNCCS(=O)(=O)c1ccc(C#N)cn1 496099217 FRVRJEYUTGNMAF-UHFFFAOYSA-N 312.351 -0.327 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)N2CC[C@@H](CO)[C@H](O)C2)cc1 546697473 KDKBTKSHLQAQIH-UONOGXRCSA-N 317.345 -0.510 30 20 DBED Cc1cnn(C[C@H](NS(=O)(=O)CCCC#N)C(=O)O)c1 547879365 BEMZRVKMSOFMQV-JTQLQIEISA-N 300.340 -0.132 30 20 DBED COc1cc(C#N)ccc1S(=O)(=O)NCCOCC(=O)O 548263322 QUEZTMOOVUCQAK-UHFFFAOYSA-N 314.319 -0.054 30 20 DBED N#Cc1ccc(S(=O)(=O)N[C@H](CC(=O)O)C(=O)O)c(F)c1 548538654 WCTKOJSSMLVHSG-MRVPVSSYSA-N 316.266 -0.096 30 20 DBED N#CCNC(=O)CNC[C@H](O)COc1ccccc1[N+](=O)[O-] 563012357 UUAJIJXCAGSAER-JTQLQIEISA-N 308.294 -0.436 30 20 DBED COC(=O)[C@H](NC[C@H](O)COc1ccc(C#N)cc1)[C@H](C)O 567873055 MIGIERFRHRMMRZ-VHRBIJSZSA-N 308.334 -0.190 30 20 DBED C[C@@H](CNS(=O)(=O)c1cncc(C#N)c1)S(C)(=O)=O 575611740 GKLVPEBZPKIFCE-QMMMGPOBSA-N 303.365 -0.335 30 20 DBED COC[C@@]1(C(=O)O)CCN(S(=O)(=O)N(C)[C@H](C)CC#N)C1 593271537 IEKKJHFFNRZNIL-ZYHUDNBSSA-N 319.383 -0.112 30 20 DBED CN(C)C[C@](C)(C#N)NC(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1 602333715 OQULSPLOPHNMOZ-NHYWBVRUSA-N 318.381 -0.267 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)CN2CC(=O)N(C)C2=O)C1=O 626848905 JCNAUQJVHOQBQW-SNVBAGLBSA-N 308.338 -0.874 30 20 DBED C=CC[C@H]1CCCN(C(=O)C(=O)N2CCN(C)C[C@H]2CN)C1 662948397 WFKGSKQBEAQEQK-UONOGXRCSA-N 308.426 -0.098 30 20 DBED CCn1cc(C#N)c(=O)n(Cc2noc(CCC(=O)O)n2)c1=O 737299653 REDQHXLHSBIPJE-UHFFFAOYSA-N 319.277 -0.650 30 20 DBED N#CCN(CC(=O)O)C(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 739076954 FJULBOZUZMUILY-VDUILEQBSA-N 317.301 -0.770 30 20 DBED C#CCNC(=O)COC(=O)CN1C(=O)NC2(CCCCC2)C1=O 749368946 HMSRXQBXTRLPIC-UHFFFAOYSA-N 321.333 -0.466 30 20 DBED C=CCNC(=O)[C@@H](C)OC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 751680519 UNDXIGKRIIACEK-ZJUUUORDSA-N 306.322 -0.004 30 20 DBED C=CCS(=O)(=O)CCNC(=O)c1cnc2c(c1)nnn2C 754467087 MABDQSNAEKBYCT-UHFFFAOYSA-N 309.351 -0.306 30 20 DBED C#CCN1CCC[C@H]1COC(=O)c1cn(C)c(=O)n(C)c1=O 756543301 PNDCYXVOTWDRJO-NSHDSACASA-N 305.334 -0.662 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)OCc2nnc(C)s2)C1=O 773499814 BYHSFXLPXFMUEP-UHFFFAOYSA-N 324.318 -0.133 30 20 DBED C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)OC(C)(C)C#N 779224925 GBRVHSAZQZLEEB-QMMMGPOBSA-N 300.340 -0.068 30 20 DBED N#CC1(NC(=O)COC(=O)CN2CCCS2(=O)=O)CCC1 784207769 DFYJIACGWHNRTP-UHFFFAOYSA-N 315.351 -0.872 30 20 DBED C#CCOCCNC(=O)C(=O)Nc1cccc(C(=O)NC)c1 785158332 UNEFKLDXFNZYEY-UHFFFAOYSA-N 303.318 -0.249 30 20 DBED C#CCCCNC(=O)C(=O)NC[C@H]1CN(CC(C)C)CCO1 785394534 BNZRYPFKBYOQBM-AWEZNQCLSA-N 309.410 -0.011 30 20 DBED C[C@@H](OC(=O)CCn1cnccc1=O)C(=O)N(C)CCC#N 796317457 GLIHMWKJONACSB-LLVKDONJSA-N 306.322 -0.063 30 20 DBED C#CCCCNC(=O)C(=O)N1CCN(C2CCOCC2)CC1 806912033 ANYXSXCMGKFSRU-UHFFFAOYSA-N 307.394 -0.161 30 20 DBED Cn1cc(N2CCN(C(=O)[C@@](C)(C#N)CC(=O)O)CC2=O)cn1 821298837 YCJQROXFHWHSQK-CQSZACIVSA-N 319.321 -0.400 30 20 DBED C#C[C@H](NC(=O)C(=O)N(C)C[C@@H]1COCCO1)[C@H]1CCCO1 829213766 BWAYTIXXNRUAFU-FRRDWIJNSA-N 310.350 -0.843 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)C2CC3(CC3)C2)CC1 831585023 QXVDXFOZEMKMNF-UHFFFAOYSA-N 311.407 -0.212 30 20 DBED C#CCOCCNC(=O)[C@H](NS(=O)(=O)C1CC1)C(C)C 832102713 IZTKZYVVXPEYPC-GFCCVEGCSA-N 302.396 -0.141 30 20 DBED CNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CNC[C@H]2C#N)cc1 834517460 VSQSJGPPYXQELP-ZYHUDNBSSA-N 308.363 -0.564 30 20 DBED C#CCN(C)C(=O)C(=O)N1CCO[C@@H](C(=O)OC(C)(C)C)C1 839324279 OUVZSVOBXYHJHQ-LLVKDONJSA-N 310.350 -0.353 30 20 DBED CC(C)[C@](C)(C#N)NC(=O)COC(=O)[C@H]1CCS(=O)(=O)N1 845366308 IBOSMQULFQYYTO-SKDRFNHKSA-N 317.367 -0.724 30 20 DBED C=C[C@@H](C)ONC(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1 846547561 PAXKWNYFPGYRCA-BDAKNGLRSA-N 302.356 -0.291 30 20 DBED CCN(C[C@H](C)C#N)C(=O)COC(=O)Cn1nc(C)n(C)c1=O 848844847 KLLRMNLDFWCRCD-SNVBAGLBSA-N 323.353 -0.558 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)Nc1ccnc(OC)n1 850726359 IHQMBUVJPBUMJB-UHFFFAOYSA-N 306.322 -0.078 30 20 DBED C#CC[C@@H](CO)NC(=O)[C@@](C)(O)CN1Cc2ccccc2C1=O 854543614 YKGAASACUUPDNT-GUYCJALGSA-N 316.357 -0.106 30 20 DBED COc1nccc(C=NN2C(=O)[C@@H]3[C@H]4C=C[C@@H](O4)[C@@H]3C2=O)n1 872427530 IVNDUISCWXNSMP-DBIOUOCHSA-N 300.274 -0.243 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N[C@H](C)Cn1ccnc1 875090792 QRPRYDOLMCDLRV-CHWSQXEVSA-N 306.366 -0.068 30 20 DBED N#Cc1ccc(N2CCN(C(=O)[C@@H]3CCO[C@H]3CN)CC2)cn1 877296970 MSMUBRBWSFLRSV-CABCVRRESA-N 315.377 -0.034 30 20 DBED C#CC1(O)CN(C(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)C1 890520380 WSVJXCUBWKEVPH-RYUDHWBXSA-N 304.346 -0.242 30 20 DBED CNC(=O)[C@H](C#N)C(=O)CN1C(=O)NC2(CCCCC2)C1=O 917002035 IUVMLFRFEBWRMH-SECBINFHSA-N 306.322 -0.304 30 20 DBED C#CC[C@@H](CO)NC(=O)N[C@H]1CCN(c2cc(C)nn2C)C1=O 920784211 BTUKVXBDHIZIRL-RYUDHWBXSA-N 319.365 -0.483 30 20 DBED C#CCN(C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)C(C)C 928629081 ZLOMKIRAXIOAIJ-UHFFFAOYSA-N 317.349 -0.696 30 20 DBED C[C@@]1(C(=O)N[C@H]2CCN(C(=O)C#CC3CC3)C2)CNC(=O)C1 938298902 WFRDDNVYBIHWOO-LRDDRELGSA-N 303.362 -0.357 30 20 DBED CN1CC[C@H](C(=O)N[C@H]2CCN(C(=O)C#CC3CC3)C2)C1=O 938467317 BPURMAOSAKIRHM-QWHCGFSZSA-N 303.362 -0.405 30 20 DBED C#Cc1cncc(C(=O)N[C@H]2CCN(C(=O)c3nc[nH]n3)C2)c1 938703813 SIBOMGMMFHULHX-LBPRGKRZSA-N 310.317 -0.175 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)[nH]1 942439537 LMQGQMDXQSKSHM-MXWKQRLJSA-N 315.333 -0.662 30 20 DBED C[C@@H](NC(=O)c1cc(C#N)c[nH]1)[C@H]1CCCN(C(=O)C(N)=O)C1 945666930 HKXDFHHUKFBFNE-KOLCDFICSA-N 317.349 -0.271 30 20 DBED C#CCCN1CC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C[C@H]1C 947323205 IGLGFXRYCSQTDD-VXGBXAGGSA-N 318.381 -0.631 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1cnn(C)n1 951095430 VWDGILFCQPOJHF-WZRBSPASSA-N 319.365 -0.263 30 20 DBED C[C@@H]1C[C@@H](NC(=O)C(N)=O)CCN1C(=O)c1cc(C#N)c[nH]1 955618984 XJXIUUNOSZIEAS-SCZZXKLOSA-N 303.322 -0.519 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H]1CNC(=O)c1cc(C(N)=O)c[nH]1 956192094 ICYRBPAWSJCCRW-KOLCDFICSA-N 317.349 -0.006 30 20 DBED CC(=O)N1CC(C(=O)N[C@]2(C)CCN(C(=O)[C@H](C)C#N)C2)C1 956862397 UDBGBUZRTHHWGS-MEBBXXQBSA-N 306.366 -0.268 30 20 DBED CC(=O)Nc1ccc(C(=O)NC[C@H]2CN(CC#N)C[C@H]2O)nc1 958122016 OHIYDLGEEPAICY-SMDDNHRTSA-N 317.349 -0.414 30 20 DBED C=CCCN1C[C@H](O)[C@H](CNC(=O)c2ccn3nnnc3c2)C1 958319519 LOKIQIVKCSIGCW-OLZOCXBDSA-N 316.365 -0.277 30 20 DBED C[C@H]1CN(C(=O)C(N)=O)C[C@@H]1CNC(=O)c1c[nH]c(C#N)c1 959575106 FWVYEPKMAJSCBR-WPRPVWTQSA-N 303.322 -0.804 30 20 DBED CC#CCN1C[C@@H]2C(NC(=O)c3cc(=O)n4[nH]cnc4n3)[C@H]2C1 962291555 YNNGLNNSTWYXAU-UWVGGRQHSA-N 312.333 -0.899 30 20 DBED CC1(C)CN(C(=O)c2c[nH]c(C#N)c2)CC[C@H]1NC(=O)C(N)=O 967120086 WYUYDISEWDUKGL-LLVKDONJSA-N 317.349 -0.271 30 20 DBED C#Cc1cncc(C(=O)N[C@H]2CN(CC(N)=O)CC[C@@H]2C)c1 968318735 ZNQPPFAHSHUHAY-FZMZJTMJSA-N 300.362 -0.012 30 20 DBED C[C@H](NC(=O)c1c[nH]c(C#N)c1)C1CN([C@@H]2CCNC2=O)C1 969526845 QFHRTBYKTAVVBG-TVQRCGJNSA-N 301.350 -0.175 30 20 DBED C[C@@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)CCn1cnnn1)C2 969806511 SHUBPBZCHQPPSV-SRVKXCTJSA-N 317.353 -0.575 30 20 DBED C=CCN1CC[C@@H](N[C@@H]2CCN(C(=O)Cn3cncn3)C2)C1=O 970658456 HMNIDEVRAATTOI-CHWSQXEVSA-N 318.381 -0.745 30 20 DBED Cn1nncc1C(=O)N1CC[C@@H]2CN(C(=O)C#CC3CC3)[C@@H]2C1 972083739 GYWUZZTUSXNPDT-TZMCWYRMSA-N 313.361 -0.099 30 20 DBED C=CCN1CCO[C@@]2(CCN(C(=O)[C@H](C)S(C)(=O)=O)C2)C1 972434975 KAAIVYWMBAZGTF-JSGCOSHPSA-N 316.423 -0.091 30 20 DBED Cn1ncc(C(=O)N[C@H]2C[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)n1 973183840 YWMMXRXMXCNXNP-MGCOHNPYSA-N 313.321 -0.294 30 20 DBED CC1(C)CN(CC#N)C[C@H]1NC(=O)c1cnn2c(=O)cc[nH]c12 977275264 UQPUWVITMGHLHZ-LLVKDONJSA-N 314.349 -0.014 30 20 DBED C#CCN1C[C@H]2[C@H](CNC(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)[C@H]2C1 978708285 SVSWWQLFMRQXGH-QMIVOQANSA-N 319.405 -0.451 30 20 DBED C[C@H]1CN(C(=O)CN2CCCN(C(=O)[C@H](C)C#N)CC2)CCO1 980850357 STROSIUNQDSCNS-KGLIPLIRSA-N 322.409 -0.072 30 20 DBED C=CCN1CCCN(C(=O)C2CC3(C2)NC(=O)NC3=O)CC1 982172991 WUJMHZFDWCIHNF-UHFFFAOYSA-N 306.366 -0.305 30 20 DBED O=C1NCC[C@@H]1C(=O)NC[C@@H]1CCN(C(=O)C#CC2CC2)C1 982740170 UZOGPPGYYABRAK-STQMWFEESA-N 303.362 -0.499 30 20 DBED Cc1nc(O)nc(O)c1CC(=O)N1C[C@H](NCC#N)C[C@H]1C 989595978 IRBFABSPTMLUIK-PSASIEDQSA-N 305.338 -0.159 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@H](NC(=O)c2nc[nH]n2)[C@@H](O)C1 991668250 VGNFFQLXLRGVOI-UWVGGRQHSA-N 307.354 -0.292 30 20 DBED C#CCN1CC[C@@]2(NC(=O)Cn3nc(C)n(C)c3=O)CCC[C@H]12 992452850 FVHDXOVXYDRRJX-BBRMVZONSA-N 317.393 -0.363 30 20 DBED C[C@H](C#N)C(=O)N1CC(NC(=O)Cc2ccc(C(N)=O)nc2)C1 994881859 GMUOYKHWKIUSCD-SECBINFHSA-N 315.333 -0.790 30 20 DBED N#CCNC1CCN(C(=O)[C@@H]2CCc3nnnn3CC2)CC1 997032363 XQHPBZVPVSJELS-LLVKDONJSA-N 303.370 -0.270 30 20 DBED COc1c(C(=O)NCC2CN(C(=O)[C@H](C)C#N)C2)cnn1C 1003506591 YSSVZAIUJFUZJV-SECBINFHSA-N 305.338 -0.223 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCC1CN(C(=O)c2cn(C)nn2)C1 1004520439 CFMMGKGMFAHTHY-YPMHNXCESA-N 319.365 -0.406 30 20 DBED C[C@H](NC(=O)[C@H]1CC(=O)N(C)C1)C1CN(C(=O)C#CC2CC2)C1 1006236394 YYBOMAVVPMWJDQ-AAEUAGOBSA-N 317.389 -0.159 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H]2CCCN([C@H]3CCNC3=O)C2)c1 1007029674 PAAJAWUHICNBGB-AAEUAGOBSA-N 301.350 -0.031 30 20 DBED N#Cc1cc(C(=O)N2CCN(C(=O)Cn3cncn3)CC2)c[nH]1 1011028473 ZOLYKGJSCOYGFX-UHFFFAOYSA-N 313.321 -0.538 30 20 DBED O=C1NC[C@H](C(=O)N[C@H]2CCN(CC#Cc3ccccc3)C2)N1 1015634598 MVEPCWUYLNKESC-LSDHHAIUSA-N 312.373 -0.090 30 20 DBED O=C1NCC[C@H]1C(=O)NCC1=CCN(C(=O)C#CC2CC2)CC1 1017615708 OLJNXIJJSPKCNO-CQSZACIVSA-N 315.373 -0.189 30 20 DBED C=CCCN1CCN(C(=O)[C@@H]2CCCN(C(=O)C(N)=O)C2)CC1 1018371280 FKPDPIFJPWAILG-CYBMUJFWSA-N 322.409 -0.569 30 20 DBED C[C@H]1[C@@H](NC(=O)[C@@H]2CCN(C)C2=O)CCN1C(=O)C#CC1CC1 1020248171 JOVDPDQSBXOJON-UBHSHLNASA-N 317.389 -0.016 30 20 DBED N#CCN1[C@H]2CC[C@H]1CC(NC(=O)C[C@@H]1NC(=O)NC1=O)C2 1021284152 AGPDAJZOUHPTAY-DCAQKATOSA-N 305.338 -0.780 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CN(C(=O)CC(C)C)C[C@H]2O)nn1 1023769577 YCLBSVLTIQRZGH-DGCLKSJQSA-N 321.381 -0.188 30 20 DBED CCOc1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2O)on1 1024706883 RVKCFUKIDRBJTI-IVZWLZJFSA-N 322.321 -0.466 30 20 DBED O=C(N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O)c1csc(O)n1 1025153071 SJOTUBNUNKROLB-MWLCHTKSSA-N 321.358 -0.436 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2CN(C(=O)C(F)F)C[C@H]2O)c1 1025551466 JHVDSKKWIGYTJG-GHMZBOCLSA-N 309.272 -0.371 30 20 DBED C=CCN[C@@H]1CC[C@H]2CN(C(=O)CN3CCOCC3=O)C[C@H]21 1026284989 HJZMRHLXLSGWPT-BFHYXJOUSA-N 307.394 -0.142 30 20 DBED C=CCN1CC[C@H](NC2CCC(NC(=O)C(N)=O)CC2)C1=O 1026552617 WAODQWOPJCYWQE-MCIGGMRASA-N 308.382 -0.724 30 20 DBED C=CCN1CC[C@@H](NC[C@H]2CCN(C(=O)CC(N)=O)C2)C1=O 1026742629 CJYOSSKFFGDDIV-VXGBXAGGSA-N 308.382 -0.913 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCN(CC(=O)NC)C1 1028601673 SQDAJRJSMCOIQW-KGLIPLIRSA-N 306.410 -0.732 30 20 DBED CC#CCN1CC[C@@H](CNC(=O)c2cn(C)c(=O)nc2O)C1 1028980431 QZTSQZMTVNGFEH-NSHDSACASA-N 304.350 -0.439 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NC1CN(CCS(C)(=O)=O)C1 1030333200 AOYPDOXPXJOTQF-OLZOCXBDSA-N 316.423 -0.187 30 20 DBED CC1(C)NC(=O)N(CC(=O)N2C[C@@H]3C[C@H]2CN3CC#N)C1=O 1032766098 QECAGRFIJUFLHR-UWVGGRQHSA-N 305.338 -0.875 30 20 DBED C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1nc2ncccn2n1 1032782058 SMSLBTXUOWWCLH-STQMWFEESA-N 310.361 -0.025 30 20 DBED CN(C(=O)c1coc(S(N)(=O)=O)c1)[C@H]1CCN(CC#N)C1 1033211038 ZGRBMLINBXDGPZ-JTQLQIEISA-N 312.351 -0.403 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(CC1)CN(Cc1nnn(C)n1)C2 1035673974 RJHSFUWXYLJXDY-NSHDSACASA-N 303.370 -0.206 30 20 DBED N#CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)C1CC2(C1)CS(=O)(=O)C2 1037460490 FNIIUXIKUANNKN-USWWRNFRSA-N 309.391 -0.476 30 20 DBED CC(C)C#CC(=O)NC[C@]1(O)CCN(C(=O)c2cc[nH]n2)C1 1039664559 SKVFNZIJZWLIFP-OAHLLOKOSA-N 304.350 -0.238 30 20 DBED C=CCO[C@H](C)C(=O)NC[C@@]1(O)CCN(C(=O)c2nc[nH]n2)C1 1040161974 RJHYFRQJENSYTE-YGRLFVJLSA-N 323.353 -0.911 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)Cc3cc[nH]n3)C2)nc1 1040970863 RKAIEAGFLFTQAA-CHWSQXEVSA-N 312.333 -0.415 30 20 DBED C[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1NC(=O)[C@H]1CCC(=O)N1 1041794488 HYNSQQKJLFOYGU-YUSALJHKSA-N 314.349 -0.432 30 20 DBED C[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1NC(=O)c1cn(C)nn1 1041858508 YVWYBNHCXBGZQQ-MWLCHTKSSA-N 312.337 -0.269 30 20 DBED O=C(NCC1(O)CN(C(=O)C#CC2CC2)C1)c1ccc(F)nc1 1042127149 KLYBWYOSGMLJQB-UHFFFAOYSA-N 317.320 -0.063 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(O)(CNC(=O)/C=C\C2CC2)C1 1042311364 AFDNGAPWTRPZNW-XHPSBEMXSA-N 308.378 -0.031 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)/C=C/C2CC2)C1 1042323587 NCTQARPNSMAMLV-AATRIKPKSA-N 306.362 -0.318 30 20 DBED C=CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)c2cn(C)cn2)C1 1042554594 NTTMFRZLNZXXQO-LLVKDONJSA-N 322.365 -0.686 30 20 DBED C#CCCCCC(=O)NCC1(O)CN(C(=O)[C@@]23COC[C@@H]2C3)C1 1042664074 NAXNENOFEVSTBP-GUYCJALGSA-N 320.389 -0.094 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)C2CC(OC)C2)C1 1042801729 RQRRDEMACGTEIA-UHFFFAOYSA-N 308.378 -0.096 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)Cc2ccnn2C)C1 1042936801 QFXFTYLPTJTBTB-UHFFFAOYSA-N 318.377 -0.689 30 20 DBED CC(C)(C)C#CC(=O)NCC1(O)CN(C(=O)c2cnon2)C1 1042966065 NFCWWZUCUBTGDW-UHFFFAOYSA-N 306.322 -0.578 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)CCOCC2CC2)C1 1043044570 YRGGMOWGJADLLG-NSHDSACASA-N 309.366 -0.348 30 20 DBED C[C@@H]1CN(C(=O)[C@@H]2CCNC2=O)C[C@H]1Nc1ccc(C#N)nn1 1043433999 XRFBJWQYWRATCJ-YUSALJHKSA-N 314.349 -0.257 30 20 DBED Cn1cnc(C(=O)N[C@@H]2CN(c3ccc(C#N)cn3)C[C@@H]2O)n1 1043933819 YUOXKTOMCNPHRD-MNOVXSKESA-N 313.321 -0.939 30 20 DBED CN1C(=O)CC[C@H]1C(=O)N1CCN([C@@H]2CCN(CC#N)C2)CC1 1046056801 XYCNIPLBDIDYRZ-KGLIPLIRSA-N 319.409 -0.651 30 20 DBED N#Cc1cncc(N[C@H]2C[C@H](CNC(=O)[C@H]3CCNC3=O)C2)n1 1046981746 DMPZACLUECLPLE-NHCYSSNCSA-N 314.349 -0.209 30 20 DBED CCCC(=O)N1CCC[C@H]1C(=O)N(C)[C@H]1CN(CC#N)C[C@@H]1O 1047635647 IQRGNLUUGBYMOX-IHRRRGAJSA-N 322.409 -0.195 30 20 DBED C=C[C@@](C)(O)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C(F)F)C1 1047974458 VPTYVJGNTRTEHE-MWODSPESSA-N 306.309 -0.391 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C(F)F)C1 1047974506 WNGVAIDFTVFONL-GUBZILKMSA-N 304.293 -0.680 30 20 DBED C=CCCC(=O)N(C)[C@H]1CN(C(=O)[C@]2(C)CCNC2=O)C[C@@H]1O 1048527863 PFVJRKDVYRSHAR-MQIPJXDCSA-N 323.393 -0.491 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2ocnc2C)C1 1048623274 WFQDYIBMQWSCKY-RYUDHWBXSA-N 323.349 -0.171 30 20 DBED COc1cc(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)C#N)C2)on1 1049388503 LZYSHERSVKOHOJ-GUBZILKMSA-N 322.321 -0.513 30 20 DBED N#CCN1CCOC[C@@H]1CNC(=O)c1cnc2[nH]nnc2c1 1050954607 AWOIBKCVAKDGAD-JTQLQIEISA-N 301.310 -0.693 30 20 DBED N#CCN1CCOC[C@@H]1CNC(=O)[C@H]1CCCc2nn[nH]c21 1051087134 QDKGUXVVODCQQQ-QWRGUYRKSA-N 304.354 -0.435 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2COCCN2C[C@@H](C)O)cn1 1051211746 HEGVUJXCBIFWIY-DOMZBBRYSA-N 303.362 -0.126 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)c1c(OC)ncnc1OC 1051267545 CGTQWASICNAGCQ-LLVKDONJSA-N 320.349 -0.442 30 20 DBED Cc1cc(C#N)nc(N(C)C[C@@H]2CCCCN2C(=O)C(N)=O)n1 1051345304 ALIASJOBULUKOQ-LBPRGKRZSA-N 316.365 -0.041 30 20 DBED C=CCOCC(=O)N1C[C@H](C)[C@H](CNC(=O)c2cnn(C)n2)C1 1052220605 LCDHRYJOTNSYGG-NWDGAFQWSA-N 321.381 -0.158 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)C[C@@H]3CC(=O)NC3=O)CO2)C1 1054025866 KNINRSILXDZXQT-VXGBXAGGSA-N 319.361 -0.978 30 20 DBED C=CCCC(=O)N1C[C@H]2CN(C(=O)[C@H]3CN(C)C(=O)N3)C[C@H]2C1 1055238785 VWDAMHKYGBVPGK-FRRDWIJNSA-N 320.393 -0.107 30 20 DBED NC(=O)NCC(=O)N1CCC[C@H]2CN(C(=O)C#CC3CC3)C[C@H]21 1056594963 HSTBOAXDSJTAPT-QWHCGFSZSA-N 318.377 -0.483 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)c1ccc(O)nn1 1056887286 JNMXBWOTEBIMGC-UHFFFAOYSA-N 308.338 -0.301 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)[C@H](OC)C1CC1 1057465529 KAVWDYXPCDVXAU-CQSZACIVSA-N 314.382 -0.449 30 20 DBED COc1cc(C(=O)NCCN(CCO)C(=O)C#CC(C)C)on1 1057517318 PWIYENVPNDUREG-UHFFFAOYSA-N 323.349 -0.107 30 20 DBED Cc1nc(O)[nH]c1C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N 1057887964 UEAYUIUDLHZZQF-QMMMGPOBSA-N 309.326 -0.866 30 20 DBED C=CCCOCC(=O)N(CCO)CCNC(=O)c1ncccn1 1057920462 SFYVISRJPHXJRQ-UHFFFAOYSA-N 322.365 -0.380 30 20 DBED C=CCCCC(=O)NCCN(CCO)C(=O)CCn1cnnn1 1058540415 DPMWJFYXNXOHJR-UHFFFAOYSA-N 324.385 -0.643 30 20 DBED C#CCO[C@@H](C)C(=O)NCC[C@@H]1CCN(C(=O)CC(=O)NC)C1 1059526283 ODPGAYBYLKQTQW-QWHCGFSZSA-N 323.393 -0.484 30 20 DBED N#Cc1nccnc1N[C@@H]1CC[C@H]2CN(C(=O)CC(N)=O)C[C@@H]21 1060523200 LEHFVJRZZULHMT-GARJFASQSA-N 314.349 -0.127 30 20 DBED CC(=O)N[C@H](C)C(=O)NC[C@@H]1COCCN1C(=O)C#CC1CC1 1061253277 SEYSOBZDOYXMBJ-BXUZGUMPSA-N 321.377 -0.732 30 20 DBED C#CCOCCC(=O)N1CCOC[C@@H]1CNC(=O)c1cocn1 1061415085 MFEQVAXGRMCCKO-LBPRGKRZSA-N 321.333 -0.328 30 20 DBED C=CCOCC(=O)NCC1(NC(=O)c2cnn(C)n2)CCC1 1062703169 UUMFLSNDSLPXFU-UHFFFAOYSA-N 307.354 -0.214 30 20 DBED CN(C(=O)Cn1nccn1)[C@H]1CCN(c2ccc(C#N)nn2)C1 1062984209 SKJKECFYRBKOFF-LBPRGKRZSA-N 312.337 -0.323 30 20 DBED C#CCO[C@@H](C)C(=O)NC1(CNC(=O)c2cnn(C)n2)CCC1 1063640303 NNTNFIBNLSIJQH-NSHDSACASA-N 319.365 -0.378 30 20 DBED C[C@@H]1CN(C(=O)CC(N)=O)CC[C@@H]1N=c1cc[nH]c(C#N)n1 1063712779 DFFMQGVLIIRBQV-ZJUUUORDSA-N 302.338 -0.706 30 20 DBED COCC(=O)N(C)CC(=O)NC1(CNC(=O)[C@H](C)C#N)CCC1 1064311069 WWFWLOVHZMFSHK-LLVKDONJSA-N 324.381 -0.594 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H]1CN(C(=O)CCOC)CCO1 1064723525 FFBPHDUJGGHZLB-STQMWFEESA-N 312.366 -0.595 30 20 DBED Cn1nncc1C(=O)N1CCC[C@H]1CN=c1cc[nH]c(C#N)n1 1064898754 FMMGDFFMMTVZQV-JTQLQIEISA-N 312.337 -0.385 30 20 DBED C[C@@]1(NC(=O)[C@H]2CCNC2=O)CCN(c2cncc(C#N)n2)C1 1065312578 SIWBBTPRTNOHOH-XHDPSFHLSA-N 314.349 -0.431 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)[C@@H](C)CC(N)=O)CCO1 1065420864 OFCINWLJITVOBR-STQMWFEESA-N 323.393 -0.355 30 20 DBED N#Cc1cnc(N2CCOC[C@H]2CNC(=O)c2cnon2)cn1 1066497003 KRFGSOQZLSGRRU-SNVBAGLBSA-N 315.293 -0.634 30 20 DBED COCC(=O)N1CCO[C@@H]([C@@H](C)N=c2cc[nH]c(C#N)n2)C1 1068218001 HUNLEEYUQMATQF-GHMZBOCLSA-N 305.338 -0.556 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2c(C)n[nH]c2C)C1 1070055571 DHXUXZXDXPNAJF-OLZOCXBDSA-N 313.365 -0.093 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCCN(C(=O)CC(C)(C)O)C1 1070675039 MXGIDTVTOBIPIV-GFCCVEGCSA-N 323.393 -0.606 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CCC(=O)N2C)C1 1071112898 IAKKHMFENWGCMW-TUAOUCFPSA-N 306.366 -0.126 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](NC(=O)C(C)(C)F)[C@H](C)C1 1071922251 QVKGILWSLZIVPB-GHMZBOCLSA-N 311.357 -0.163 30 20 DBED C[C@H]1CN(C(=O)c2ncn(C)n2)C[C@@H]1NC(=O)CSCC#N 1072014820 VDYFSKAUYWCESB-UWVGGRQHSA-N 322.394 -0.351 30 20 DBED C#CCN1CCC2(C1)CN(C(=O)CN1C(=O)NC(=O)C1(C)C)C2 1073103637 CSXHSIIWGOCPIP-UHFFFAOYSA-N 318.377 -0.516 30 20 DBED CCN1C[C@@H](C(=O)NC[C@@H]2CN(CC#N)CCCO2)CC1=O 1073629971 JWEPHZXVKSHNAL-QWHCGFSZSA-N 308.382 -0.415 30 20 DBED N#CCN1CCCO[C@@H](CNC(=O)[C@H]2CCc3nn[nH]c3C2)C1 1073859304 HALPYRVFPAZLSW-RYUDHWBXSA-N 318.381 -0.360 30 20 DBED C#CCCN1CCO[C@@H]2CCN(C(=O)CS(C)(=O)=O)C[C@H]21 1074177049 FOYGSBNTQKMVJJ-CHWSQXEVSA-N 314.407 -0.644 30 20 DBED C=CCOCC(=O)N1CC[C@H](NC(=O)Cc2nc[nH]n2)[C@H](C)C1 1074257679 NLHBVRCAETUDKU-NEPJUHHUSA-N 321.381 -0.097 30 20 DBED C=CCCC(=O)NCC1(O)CCN(C(=O)c2nnn(C)n2)CC1 1074677425 ICDXGWUVHBVCPO-UHFFFAOYSA-N 322.369 -0.740 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(C(=O)Cn2cncn2)[C@@H](C)C1 1074891360 GBNZAYJKNWKVCQ-STQMWFEESA-N 321.381 -0.024 30 20 DBED C=CCOCC(=O)NCC[C@H](C)NC(=O)C[C@@H](C)NC(N)=O 1075919194 XMLUDSQYBTWFGQ-WDEREUQCSA-N 314.386 -0.353 30 20 DBED CNC(=O)CC(=O)N[C@@H](C)CCNC(=O)c1cc(C#N)c[nH]1 1076070946 FAGOOSGTGZLVRT-VIFPVBQESA-N 305.338 -0.353 30 20 DBED C#CCN1C[C@@H]2CCN(C(=O)C3CCS(=O)(=O)CC3)[C@@H]2C1 1076315967 YSXPRCNMBRNWBR-UONOGXRCSA-N 310.419 -0.023 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)c2cnc3ccccn3c2=O)C1 1077242054 ALSSLEDNJKYCHO-CHWSQXEVSA-N 314.345 -0.345 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3nncn3CC2)C1 1077412034 HKFGKGVNOUKEFF-BFHYXJOUSA-N 317.393 -0.585 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCN2c2nccs2)C1 1077446305 BZALVCSFNPCZAY-JHJVBQTASA-N 320.418 -0.094 30 20 DBED CC#CCCCC(=O)NCC[C@H](C)NC(=O)[C@@H]1CNC(=O)N1 1077898953 KCFLACIZTSIEQB-RYUDHWBXSA-N 308.382 -0.128 30 20 DBED C#CCOCCC(=O)N[C@@H](C)CCNC(=O)[C@@H]1[C@H]2COC[C@H]21 1077907147 RWUJITMRAKENSV-RMRHIDDWSA-N 308.378 -0.070 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCCN2C(=O)CCC)C1 1078219715 KMXOBJCTBQOVKB-RBSFLKMASA-N 321.421 -0.038 30 20 DBED C=CCOCC(=O)N[C@@H](C)CCNC(=O)[C@H](COC)OC 1078259065 VPMNZDOFRXYBMU-RYUDHWBXSA-N 302.371 -0.139 30 20 DBED CCN(C(=O)CCn1cncn1)C1CN(C(=O)[C@@H](C)C#N)C1 1079309346 VARNWPMUYQWZHA-NSHDSACASA-N 304.354 -0.113 30 20 DBED C=CCCOCC(=O)N1C[C@H](O)[C@H](CNC(=O)C(F)F)C1 1081157774 JSZYZCMEQIGXPH-ZJUUUORDSA-N 306.309 -0.220 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CC(C)C)C1 1081201917 IQYKKJRSNVXHAC-QWHCGFSZSA-N 323.393 -0.893 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](CNC(=O)CNC(C)=O)C1 1081202870 VQZUCETXXNSEEY-VXGBXAGGSA-N 311.382 -0.730 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)Cc2cc[nH]n2)C1 1081369484 XVOUCZIYHFFNET-GXTWGEPZSA-N 318.377 -0.453 30 20 DBED CCOCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1 1081413927 MZFDKBLWYHSKOM-ZWNOBZJWSA-N 320.349 -0.528 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cnco2)C1 1081623245 JAHVEEMKVVSGCF-NWDGAFQWSA-N 305.334 -0.117 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@H]1CCCN(C(N)=O)C1 1081915879 ZSBXLJHRZWQRFS-QJPTWQEYSA-N 309.370 -0.884 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1ccc(C(N)=O)cn1 1082394085 UEZAWSCSIWXBPG-VXGBXAGGSA-N 303.322 -0.867 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H]2CN(Cc3cnnn3C)C[C@@H]21 1083026345 WXQMICQZQUCHGS-WCFLWFBJSA-N 304.354 -0.614 30 20 DBED C=CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1COCCN1C 1083056215 FPCINFHRZKXDFE-SOUVJXGZSA-N 309.410 -0.195 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CCn1ccccc1=O 1083099080 SUVZPRFZDXUQPW-UONOGXRCSA-N 316.361 -0.326 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CN1C(=O)CCC1=O 1083270318 ZVEVWDAFBUVOMY-QWHCGFSZSA-N 319.361 -0.930 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CN(Cc3csnn3)C[C@@H]2O)c1 1083392446 IKFIJKYNDJADPM-NEPJUHHUSA-N 318.362 -0.287 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)C2(N3CCOCC3)CCCC2)C1 1083828538 XLUMAQMKWKEAGF-KGLIPLIRSA-N 322.409 -0.684 30 20 DBED Cn1cc([C@@H]2CN(C(=O)c3ncccn3)C[C@H]2NCC#N)cn1 1087003444 YNKNLADLFSGQSZ-QWHCGFSZSA-N 311.349 -0.069 30 20 DBED C#CCN1CC[C@H](NC(=O)[C@H]2CCc3nnnn3CC2)[C@H]1C 1088870846 KDGXKTONHBZCAV-AGIUHOORSA-N 302.382 -0.162 30 20 DBED C=CCN1CC[C@H](NC(=O)c2cccn3nnnc23)[C@@H](O)C1 1090294298 CEKWARJICURWOD-RYUDHWBXSA-N 302.338 -0.525 30 20 DBED C#CCCN1CC[C@@H](NC(=O)Cc2cnn(C)c2C)[C@@H](O)C1 1090311940 BELNFVCRAFMOCN-CABCVRRESA-N 304.394 -0.154 30 20 DBED C#CCN1CC[C@@H](NC(=O)Cn2cc(C3CC3)nn2)[C@H](O)C1 1090320326 WMDZJRJBVLEMIK-TZMCWYRMSA-N 303.366 -0.660 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(c2cncc(Cl)n2)C[C@H]1O 1090392535 WGFBPZVCXVCHQS-NXEZZACHSA-N 312.757 -0.002 30 20 DBED N#CCN1CC[C@H](NC(=O)c2cnn3cccnc23)[C@@H](O)C1 1090478863 IGJWIUHCUWCYHY-RYUDHWBXSA-N 300.322 -0.582 30 20 DBED N#Cc1nc(=N[C@H]2C[C@H](NC(=O)CC(N)=O)C23CCC3)cc[nH]1 1090593119 BMGIDRWGHJPBTQ-UWVGGRQHSA-N 314.349 -0.515 30 20 DBED C=CCN1CC[C@H](NC(=O)Cn2c(C)csc2=O)[C@H](O)C1 1090797155 UYTBCKUXBYBNPF-NWDGAFQWSA-N 311.407 -0.044 30 20 DBED COCC[C@@H](C)C(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1091108869 MIDFIMQQYMMVKE-RTXFEEFZSA-N 319.365 -0.313 30 20 DBED COCCC(=O)N[C@@H]1CCN(c2cncc(C#N)n2)C[C@H]1O 1092129417 AANVCEZUUINPEJ-VXGBXAGGSA-N 305.338 -0.559 30 20 DBED Cc1nc(N2CC[C@H](NC(=O)CC(N)=O)[C@H](O)C2)ccc1C#N 1092134801 RJUGIUHXTXZTRR-NWDGAFQWSA-N 317.349 -0.807 30 20 DBED C#CCCN1CC(OC2CCN(C(=O)[C@@H]3COC(=O)N3)CC2)C1 1093532440 ARQKDOBSGAOITH-AWEZNQCLSA-N 321.377 -0.190 30 20 DBED N#Cc1cncc(NCCNC(=O)[C@H]2CCCS2(=O)=O)n1 1093669668 DDUBGCVOKZMVCK-SNVBAGLBSA-N 309.351 -0.546 30 20 DBED C[C@@H]1C[C@H](C(=O)NCCN=c2cc[nH]cc2C#N)CC(=O)N1 1093983411 ZQNVWFLOAFXBNM-MNOVXSKESA-N 301.350 -0.182 30 20 DBED N#Cc1nccnc1NCCNC(=O)[C@H]1CCNC(=O)CC1 1094024263 WYWNIHPIXFZFJU-SNVBAGLBSA-N 302.338 -0.207 30 20 DBED C=CCN1CC[C@H](N2CC(n3cc(CNC(C)=O)nn3)C2)C1=O 1094266708 DOTOFTACLMPJPV-AWEZNQCLSA-N 318.381 -0.442 30 20 DBED CNC(=O)CCCC(=O)NCCCN=c1cc[nH]c(C#N)n1 1094372508 JQSOYFCTDJUDNY-UHFFFAOYSA-N 304.354 -0.395 30 20 DBED CC(=O)N(C)CCCC(=O)NCCCN=c1cc[nH]c(C#N)n1 1094523684 OGVPMKJJQXGXEY-UHFFFAOYSA-N 318.381 -0.053 30 20 DBED N#CCN1CC(N2C[C@H](NC(=O)C[C@@H]3CCCO3)CC2=O)C1 1094710151 QQAHEDUHOZZYTD-YPMHNXCESA-N 306.366 -0.520 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)c3cc(C)nn3C)CC2=O)C1 1094714060 PHGGULBMNFMDTF-LBPRGKRZSA-N 315.377 -0.623 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)c3c(C)cnn3C)CC2=O)C1 1094772916 JQMSNQVNWRYDLP-LBPRGKRZSA-N 315.377 -0.623 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)c3cn(CC)nn3)CC2=O)C1 1094803532 NQQFKDPKHLYLMX-LLVKDONJSA-N 318.381 -0.501 30 20 DBED C=C(C)CN1CC(N2C[C@H](NC(=O)[C@@H]3CCN(C)C3)CC2=O)C1 1094815649 ZDDUZVAVQWETOK-ZIAGYGMSSA-N 320.437 -0.085 30 20 DBED N#Cc1nccnc1NCCCNC(=O)c1nnc(O)nc1O 1094887977 KCEMEYOUTOBXCQ-UHFFFAOYSA-N 316.281 -0.824 30 20 DBED CC(=O)N[C@@H](C)C(=O)N[C@H]1C[C@H](Nc2cnc(C#N)cn2)C1 1096987804 ZGFGYTOIJWEWGS-LSJOCFKGSA-N 302.338 -0.068 30 20 DBED C[C@@H](CC(=O)N[C@H]1C[C@@H](Nc2nccnc2C#N)C1)NC(N)=O 1097225532 ZWUJEGQYUGONEN-LPEHRKFASA-N 317.353 -0.146 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCCNC1=O)Nc1ccc(C#N)nn1 1098120181 ABVGILBJRJKUJD-ONGXEEELSA-N 302.338 -0.209 30 20 DBED C[C@@H](CNC(=O)[C@@]1(C)CCC(=O)NC1)N=c1cc[nH]c(C#N)n1 1098228652 JGQRODHUBCLHJD-BONVTDFDSA-N 316.365 -0.397 30 20 DBED C[C@@H]1CN(C)C[C@H]1C(=O)N1CCC(N(CC#N)CCO)CC1 1098479281 ZKEQWHYPKKXCDC-UKRRQHHQSA-N 308.426 -0.007 30 20 DBED C=CCN1C[C@@H]2CCC[C@]2(NC(=O)Cn2cnc(C(N)=O)n2)C1 1098846632 OSMQALWIRYPCKG-NHYWBVRUSA-N 318.381 -0.466 30 20 DBED C#CCN1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CC(=O)NC2=O)C1 1099187625 ASAICGLNACGCAB-WQGACYEGSA-N 303.362 -0.357 30 20 DBED C[C@@H](CCNC(=O)[C@H]1C[C@H]1C(N)=O)Nc1cnc(C#N)cn1 1099692115 UYDFPBJNBRUWMX-GDPRMGEGSA-N 302.338 -0.224 30 20 DBED C#CCN1CC[C@H](NC(=O)C(C)(C)NC(=O)NCCC)[C@@H](O)C1 1100126841 NSQMGZQAKMTQLE-STQMWFEESA-N 324.425 -0.341 30 20 DBED CNC(=O)NCC(=O)NCCN(C)c1ccc(C#N)c(C)n1 1100376842 BIDBNYAPPVMOOK-UHFFFAOYSA-N 304.354 -0.257 30 20 DBED CCCN(CCNC(=O)[C@@H]1COC(=O)N1)c1nccnc1C#N 1101132647 SSCMQEQBJSNDER-NSHDSACASA-N 318.337 -0.211 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1CNC(=O)[C@H]1CCCO1 1101698843 XJXRBOSDWNSBKB-JHJVBQTASA-N 308.382 -0.511 30 20 DBED Cc1cc(C#N)nc(NCCN(C)C(=O)[C@@H]2CCNC2=O)n1 1101903132 REMCPTMQYDOWDH-LLVKDONJSA-N 302.338 -0.337 30 20 DBED CCCN(C(=O)C(N)=O)[C@H]1CCN(c2ccnc(C#N)n2)C1 1102261762 HWCSOFWKZZCLES-JTQLQIEISA-N 302.338 -0.349 30 20 DBED CCN(C(=O)CC(=O)NC)[C@H]1CCN(c2ccnc(C#N)n2)C1 1102795527 HABJLZMOOCTCJH-NSHDSACASA-N 316.365 -0.088 30 20 DBED CC(C)[C@@H](CNC(=O)CCNC(N)=O)Nc1ccc(C#N)nn1 1105182226 BYYHXMIHUNNMCD-LLVKDONJSA-N 319.369 -0.041 30 20 DBED CC(C)[C@H](CNC(=O)c1nnn(C)n1)Nc1cnc(C#N)cn1 1105265574 CZUOUIQOJVTASB-JTQLQIEISA-N 315.341 -0.262 30 20 DBED CN(CCN(C)c1ccnc(C#N)n1)C(=O)[C@@H]1COCCO1 1105339914 XBRQYFJUVKIWKX-NSHDSACASA-N 305.338 -0.342 30 20 DBED C#CCNCc1cn(C2CN(C(=O)c3cn(CC)nn3)C2)nn1 1105352240 SIYLJQJUISVJOM-UHFFFAOYSA-N 314.353 -0.691 30 20 DBED C#CCNC(=O)[C@H](C)N1CC(OC2CCN(C(C)=O)CC2)C1 1105680583 FIRRPOTXAZLTTB-LBPRGKRZSA-N 307.394 -0.164 30 20 DBED Cn1cc(C(=O)NC[C@@H](O)CNc2cnc(C#N)cn2)cn1 1105715968 FXOSARPUMDDLON-NSHDSACASA-N 301.310 -0.715 30 20 DBED N#Cc1cnc(NC[C@H](O)CNC(=O)CC(N)=O)c(Cl)c1 1105764150 XXKSNICKXIOSJQ-MRVPVSSYSA-N 311.729 -0.629 30 20 DBED CCC(=O)NCC(=O)NC[C@@H](O)CNc1ccc(C#N)cn1 1105771649 QCIDDEDWWOOFJP-NSHDSACASA-N 305.338 -0.632 30 20 DBED N#Cc1cc(C(=O)NC[C@H](O)CN=c2cc[nH]c(C#N)n2)c[nH]1 1105830458 CXMMTZYELJABBI-LLVKDONJSA-N 311.305 -0.827 30 20 DBED N#Cc1nccnc1NC[C@H](O)CNC(=O)Cn1ccnc1 1105881905 BJJCFWOQFQPYSH-SNVBAGLBSA-N 301.310 -0.866 30 20 DBED Cc1nonc1CC(=O)NC[C@@H](O)CNc1nccnc1C#N 1105948155 VKDMZECEJCOWKU-SECBINFHSA-N 317.309 -0.829 30 20 DBED C#CCOCCC(=O)NC[C@H](O)CNc1nccnc1C#N 1105965944 JHPFRRYYFMISIJ-NSHDSACASA-N 303.322 -0.723 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1C 1106084425 MJLAGAPGDPYWCK-CHWSQXEVSA-N 305.382 -0.237 30 20 DBED Cc1cc(=NC[C@@H](O)CNC(=O)[C@H]2OCC[C@H]2C)c(C#N)c[nH]1 1106122056 QIUCVRCHVBQJAB-YVLXSGLVSA-N 318.377 -0.002 30 20 DBED CN1CCO[C@H](C(=O)NC/C=C\CNc2cncc(C#N)n2)C1 1107094352 ZSLYIQDLDJSEOP-ZRMMWKCHSA-N 316.365 -0.237 30 20 DBED C#CCCN1CC(n2cc(CNC(=O)[C@@]3(F)CCOC3)nn2)C1 1107200080 WLUITWKTYZKSCA-OAHLLOKOSA-N 321.356 -0.097 30 20 DBED N#Cc1nccnc1NC/C=C/CNC(=O)C1(C(N)=O)CC1 1107480819 UVKAYINBDMPMKJ-OWOJBTEDSA-N 300.322 -0.302 30 20 DBED Cc1ccc(C#N)c(NC[C@H](C)NC(=O)Cn2cnnn2)n1 1108247627 XABJGQVIQAGSKJ-JTQLQIEISA-N 300.326 -0.135 30 20 DBED COC(=O)NCC(=O)N[C@@H](C)CNc1nc(C)cc(C#N)n1 1108265719 QFFXZEOWYUQDKL-VIFPVBQESA-N 306.326 -0.071 30 20 DBED C[C@]1(CNC(=O)c2cc(C(N)=O)c[nH]2)CN(CC#N)CCO1 1108304903 PUWNXGUHWGTEAC-AWEZNQCLSA-N 305.338 -0.542 30 20 DBED N#CCN1CC(N2C[C@H](NC(=O)COCC(F)F)CC2=O)C1 1108558587 IJLWWQAPTLYHEA-SECBINFHSA-N 316.308 -0.807 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)[C@@H](OC)C3CCC3)CC2=O)C1 1108558990 LJCHPNQNKJSYLD-CJNGLKHVSA-N 319.405 -0.164 30 20 DBED C=C(C)CN1CC(N2C[C@@H](NC(=O)CC(=O)N(C)C)CC2=O)C1 1108575009 FLMOVFPCICTDPK-LBPRGKRZSA-N 322.409 -0.558 30 20 DBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H]1COCCO1 1108954520 NWARPTVDUNLOIR-RFGFWPKPSA-N 323.393 -0.575 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H]1CCCOC1 1109046923 UDZKFZHZBJLNQC-KBXIAJHMSA-N 319.405 -0.116 30 20 DBED COCCOCC(=O)N[C@@H]1[C@H]2C[C@H]1N(c1ccnc(C#N)n1)C2 1109694622 CMBDWQYFBWARCC-FIXISWKDSA-N 317.349 -0.295 30 20 DBED CN(C)CCC(=O)N[C@H]1[C@H]2C[C@H]1N(c1cnc(C#N)cn1)C2 1109740032 JPVABCJJONVANW-NVBFEUDRSA-N 300.366 -0.007 30 20 DBED CN1CCOC[C@@H]1C(=O)NCC1(N=c2cc[nH]cc2C#N)CC1 1110110665 ZEDNNYSNXRAKAH-CQSZACIVSA-N 315.377 -0.234 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cncnc1 1110475304 XPMJDGYANAYUTL-MCIONIFRSA-N 313.361 -0.439 30 20 DBED CCO[C@H](C)C(=O)N(C)[C@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1111174528 OXERSIBFYCXFPU-WXHSDQCUSA-N 319.365 -0.219 30 20 DBED CC(C)(O)CC(=O)NC[C@H]1COCCN1c1ccnc(C#N)n1 1111677340 AYTDMNFRYBKAGF-NSHDSACASA-N 319.365 -0.169 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)c2n[nH]c(C)c2O)CC1 1112768289 VSDMRVZNADJRBV-NSHDSACASA-N 321.381 -0.128 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)COCC2CCCC2)CC1 1112974759 LGDSEJUFHCLZJH-UHFFFAOYSA-N 322.409 -0.023 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(CC(=O)NCC#N)CC1 1113360464 UUFNQZVRTQUEOB-OLZOCXBDSA-N 306.366 -0.639 30 20 DBED Cc1nc(N(C)[C@@H](C)CNC(=O)Cn2ncnn2)ccc1C#N 1113723780 VBNJFXVRVHBSKV-JTQLQIEISA-N 314.353 -0.111 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)C3CCOCC3)[C@H]2C1 1113771099 ZJTJRLITRYQBOM-NHAGDIPZSA-N 305.378 -0.791 30 20 DBED C#CCO[C@H](C)C(=O)NC1[C@H]2CN(CCN3CCNC3=O)C[C@H]12 1114270866 LZTWGLHDPJMNRD-AGIUHOORSA-N 320.393 -0.904 30 20 DBED COCC#CCN1C[C@@H]2C(NC(=O)CCn3ccnc3)[C@H]2C1 1114652382 LYUORPUUNOREDU-KBPBESRZSA-N 302.378 -0.031 30 20 DBED C=C[C@](C)(CC)C(=O)NC1[C@H]2CN(CC(=O)NC(N)=O)C[C@H]12 1114791645 IGMMWFIHEQQEPT-AMJWSMQMSA-N 308.382 -0.170 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)C3(CF)CC3)[C@H]2C1 1114819911 XIPKYAHCRIPSPC-SRVKXCTJSA-N 307.369 -0.080 30 20 DBED CN(CCOCCNC(=O)c1cnn[nH]1)c1ncccc1C#N 1115268914 NOWIRSRMGFJRHW-UHFFFAOYSA-N 315.337 -0.046 30 20 DBED C[C@H]1[C@@H](C)N(C(=O)C(=O)Nc2cnn(CC#N)c2)CC[S@]1=O 1116895326 BKELKOOKWCNFHD-BNJANLQDSA-N 323.378 -0.287 30 20 DBED C#CCNC(=O)CN1CCN(c2nnnn2CC2CCC2)CC1 1119727770 OWTGNWUYGXIPCH-UHFFFAOYSA-N 317.397 -0.655 30 20 DBED COC(OC)C(=O)N1CCN(c2nc(C)cc(C#N)n2)CC1 1120874120 IMAYVPZAPGNVHK-UHFFFAOYSA-N 305.338 -0.076 30 20 DBED Cn1cnc(C(=O)NC[C@H](CO)Nc2cnc(C#N)cn2)c1 1121303111 LGZGXYFTIWQYAZ-SNVBAGLBSA-N 301.310 -0.715 30 20 DBED N#Cc1cccnc1N[C@@H](CO)CNC(=O)CCc1nc[nH]n1 1121412270 MZNCOSOJJNJQCH-LLVKDONJSA-N 315.337 -0.407 30 20 DBED C=CCO[C@@H](C)C(=O)NC[C@H](CO)Nc1ncnc2[nH]cnc12 1121748517 BVULRTAIRSOLQV-VHSXEESVSA-N 320.353 -0.167 30 20 DBED CCn1cnc(C(=O)NC[C@@H](CO)Nc2cncc(C#N)n2)c1 1121855633 ZMOIFTFVCSQUHY-NSHDSACASA-N 315.337 -0.233 30 20 DBED CN(C[C@@H](O)CNc1ccc(C#N)cn1)C(=O)c1ncn(C)n1 1124295864 OBCJTYDHYZDVHF-NSHDSACASA-N 315.337 -0.373 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)COC(C)C 1124444369 MJGHYRUYLLHUDD-NSHDSACASA-N 314.386 -0.483 30 20 DBED CN(C[C@H](O)CNc1ccc(C#N)nc1)C(=O)[C@H]1CCNC1=O 1124693744 IQBPYJDFXBSQSX-OLZOCXBDSA-N 317.349 -0.679 30 20 DBED C=CCOCC(=O)NCCNC[C@@H](O)COCC(F)(F)F 1124767557 ILSYKLVBMYRTRU-SNVBAGLBSA-N 314.304 -0.165 30 20 DBED CN(CCNCCNC(=O)c1c[nH]c(C#N)c1)S(C)(=O)=O 1125988274 SRYHKCUXEIUNBQ-UHFFFAOYSA-N 313.383 -0.903 30 20 DBED C=C[C@](C)(O)CC(=O)NCCNCC(=O)Nc1cc(C)on1 1126365919 OORDTEVYHUSQOW-AWEZNQCLSA-N 310.354 -0.046 30 20 DBED C=C[C@](C)(O)CC(=O)NCCNCc1noc(CCOC)n1 1126366168 RSMNSMDKYKNIAT-AWEZNQCLSA-N 312.370 -0.209 30 20 DBED CCC(=O)N[C@H](C)C(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1 1129010008 YQXFYGLRARWOQD-UTUOFQBUSA-N 319.369 -0.942 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCN[C@H](CCCC)C(N)=O 1129771294 UTSWFKYNLNMVRV-KGLIPLIRSA-N 308.426 -0.166 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)[C@@]2(C)CCNC(=O)C2)C1=O 1130205108 GSXLIYOQLWKXBL-WBMJQRKESA-N 322.409 -0.605 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 1131506008 JKCDDXKFFFWFDL-XDQVBPFNSA-N 307.394 -0.355 30 20 DBED C#CCCN1C[C@H](NC(=O)CNS(=O)(=O)NC)CC[C@H]1C 1132199306 HKLZQKFKEPYCOB-VXGBXAGGSA-N 316.427 -0.967 30 20 DBED C=CCOCCNC[C@@H]1CN(C(=O)Cn2cnnn2)CC[C@@H]1C 1132616568 ANBUWLXGBHUCIJ-UONOGXRCSA-N 322.413 -0.050 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@H]1CCCN(CCC)C1 1132739570 SFSCLANGWOQEQY-GJZGRUSLSA-N 322.453 -0.048 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)c2cnc(C)n2C)C1=O 1132889409 CSXYOOVQYQJYOC-LBPRGKRZSA-N 305.382 -0.165 30 20 DBED C#CCN[C@H](C)C[C@@H](C)NC(=O)CN(C)S(=O)(=O)N(C)C 1134353526 ZNPLPISPQNYONH-VXGBXAGGSA-N 318.443 -0.769 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1cnn2ccccc12 1135462069 BOXYJWGWCOHYBC-GFCCVEGCSA-N 313.361 -0.208 30 20 DBED C[C@@H](C[C@@H](C)NCC(=O)NCC#N)NC(=O)Cc1ncc[nH]1 1135775437 ZNIUHDLCIZYMMH-MNOVXSKESA-N 306.370 -0.535 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1CCC2(CN(C(C)=O)C2)C1 1146861276 OXMONBKHKBJZSL-NSHDSACASA-N 308.382 -0.059 30 20 DBED N#CCNC(=O)CN1CCC2(C1)CN(C(=O)c1cnsn1)C2 1147056920 RBEMTUXKPOALFV-UHFFFAOYSA-N 320.378 -0.674 30 20 DBED C#CCNC(=O)CN1CCCO[C@@H](CNC(=O)C2CC=CC2)C1 1149430663 FBHGVVDUKKGEPA-HNNXBMFYSA-N 319.405 -0.091 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H](C)N(CC)CC(=O)NC(C)C 1152854682 AKWXZFCKZXORDB-CYBMUJFWSA-N 324.425 -0.523 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@H](C)N(CC)CC(=O)NCC#N 1153012160 DYCABROXJHUQFB-IUODEOHRSA-N 310.398 -0.220 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1c(C)cc(=O)oc1C 1162150128 IDWFBPBJNHLWFU-UHFFFAOYSA-N 319.361 -0.284 30 20 DBED Cc1cc(CC(=O)NCCCNCC(=O)NCC#N)n(C)n1 1162451148 HSZCOURBLHFYIF-UHFFFAOYSA-N 306.370 -0.993 30 20 DBED C=CCNC(=O)CNCCCNC(=O)c1cc(C(N)=O)c[nH]1 1169306046 QGCCHJXJMMJCLY-UHFFFAOYSA-N 307.354 -0.875 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1conc1COC 1170965931 CDAIPFZJWQTMQN-UHFFFAOYSA-N 308.338 -0.720 30 20 DBED N#CCNC(=O)CNCCCNC(=O)[C@@]12CCCN(CC1)C2 1174768583 PCRPFRXEJDHWRC-HNNXBMFYSA-N 307.398 -0.792 30 20 DBED C#CCNC(=O)CNCCCNC(=O)CCc1c(C)n[nH]c1C 1175809333 PYJMQTFDCRCMQJ-UHFFFAOYSA-N 319.409 -0.196 30 20 DBED C=CCN(CC=C)C(=O)CN[C@@H]1CCN(C(=O)CNC(C)=O)C1 1180729051 KCZOSJNZFZGCGX-CQSZACIVSA-N 322.409 -0.486 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2c(Cl)n[nH]c2C)C1 1183123497 AFNXZMXZVHPRLX-SNVBAGLBSA-N 323.784 -0.075 30 20 DBED C[C@@H]1CN(C(=O)c2cn(C)c(=O)nc2O)CC[C@@H]1CNCC#N 1185683021 VWWBQYNEODHARM-GHMZBOCLSA-N 319.365 -0.303 30 20 DBED C#CCNCc1cn([C@H]2CCCN(C(=O)c3cnon3)C2)nn1 1186010765 CSXGAXFATUBRIL-LBPRGKRZSA-N 315.337 -0.139 30 20 DBED C#CCCN[C@@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)C1 1187069051 GFENKORNEFLVDL-SNVBAGLBSA-N 300.322 -0.755 30 20 DBED C#CCOCCC(=O)N1CC[C@H]2CN(C[C@@H](O)COC)C[C@H]21 1187873961 ITMUUFRYCJTJGZ-RRFJBIMHSA-N 310.394 -0.434 30 20 DBED CC#CCN1C[C@@H]2CCN(C(=O)COCc3nncn3C)[C@@H]2C1 1189612451 WEYMQAPNAVMIQD-UONOGXRCSA-N 317.393 -0.112 30 20 DBED C=CCCC(=O)N[C@@H]1CN(C[C@H](O)COCCOC)C[C@H]1O 1191724546 KSDRBNACGNUVJL-BFHYXJOUSA-N 316.398 -0.862 30 20 DBED COCCOc1cc(C(=O)N[C@@H]2CN(CC#N)C[C@H]2O)ccn1 1192898916 DANKXGIHTOONDD-CHWSQXEVSA-N 320.349 -0.595 30 20 DBED CCN(CC)CC(=O)N1CC[C@H](N(C)CC(=O)NCC#N)C1 1192958075 DRZJPTBDVBAFHO-ZDUSSCGKSA-N 309.414 -0.499 30 20 DBED Cc1cc(C(=O)N2CCCN(CC(=O)NCC#N)CC2)nn1C 1195025653 QUNWIRIYVJRQLD-UHFFFAOYSA-N 318.381 -0.484 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)Cc2cccnc2C)C1 1196145243 ICUWQTSHCMSHPX-HZPDHXFCSA-N 317.389 -0.256 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)CNC(=O)c2ccccc2C)C1 1198458017 ASFPMXMDEBSDSS-HUUCEWRRSA-N 315.373 -0.481 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(Cc2cnns2)C[C@H]1O 1199307931 MOOAPYNSDLTEEA-VXGBXAGGSA-N 312.395 -0.208 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)C(F)F)CCCO1 1199623372 KFGTZEAMVNERBZ-SNVBAGLBSA-N 303.309 -0.792 30 20 DBED COCC#CCNC1CCN(C(=O)CCn2cnnn2)CC1 1203046852 HBRZWHFIQILUQV-UHFFFAOYSA-N 306.370 -0.706 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)Cc2cncn2C)CC1 1203337703 QIHVKYCHTFWPKY-UHFFFAOYSA-N 317.393 -0.707 30 20 DBED N#CCNC(=O)CN[C@H]1C[C@H]2CC[C@H]1N(C(=O)c1cc[nH]n1)C2 1204004135 VXMOOTUBNREEFM-KGYLQXTDSA-N 316.365 -0.368 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)[C@H](C)n2cncn2)C1 1207830384 ZVKUKYSAWWAXQU-STQMWFEESA-N 318.381 -0.831 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(CC[C@@H](C)F)C[C@H]1OC 1212150365 VLEQQMMMBRRSDM-JHJVBQTASA-N 313.373 -0.311 30 20 DBED CCc1ocnc1C(=O)N[C@@H]1CN(CC#CCOC)C[C@@H]1O 1219404623 YIYAFBZPMUNGHC-NEPJUHHUSA-N 307.350 -0.338 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)C2(CF)CC2)C1 1220334341 RCOJQGWMNXRCFM-UTUOFQBUSA-N 313.373 -0.412 30 20 DBED C=CCCCN1C[C@H](O)[C@H](NC(=O)c2nc3ncccn3n2)C1 1220576841 SNDLKMCPGFYHBU-NEPJUHHUSA-N 316.365 -0.135 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2nnc(C)o2)C[C@@H]1O 1221143956 XZUQPSOGVPSLRZ-JLLWLGSASA-N 310.354 -0.370 30 20 DBED CCOCCNC(=O)CN1CC[C@@H]2CN(C(=O)[C@H](C)C#N)[C@@H]2C1 1221446370 GZJJEJFRYUIXAZ-MGPQQGTHSA-N 322.409 -0.169 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H]2CCN(C[C@@H](C)O)[C@H]2C1 1222562333 DSSPJCRRBBMUEA-MCIONIFRSA-N 307.394 -0.571 30 20 DBED C=CCOCCN1CCC(CNC(=O)[C@@H]2CNC(=O)N2)CC1 1224260930 NHQUOVFNBLQDBX-ZDUSSCGKSA-N 310.398 -0.301 30 20 DBED CCO[C@@H](C(=O)N(C)C[C@H]1CCN1CC(=O)NCC#N)C1CC1 1234333113 JAOCNHOHJVLXCD-UKRRQHHQSA-N 322.409 -0.026 30 20 DBED C=CCNC(=O)CN1CC[C@H]1CN(C)C(=O)[C@H]1CCCNC1=O 1235600853 HWKZCPXKJXNFHE-STQMWFEESA-N 322.409 -0.653 30 20 DBED C=C(C)Cn1c(CO)nnc1N1CCN(CC(=O)N(C)C)CC1 1263308720 MNDZVIXBJNTURI-UHFFFAOYSA-N 322.413 -0.443 30 20 DBED C=CCC[C@H](O)CN1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 1319636056 RJOJETKRZNLHKC-BFHYXJOUSA-N 318.439 -0.911 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)NCCCN2CCCCC2=O)CCO1 1322582704 FOOHCJASAIQMFP-GFCCVEGCSA-N 322.365 -0.744 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)NCCOC[C@H]1CCOC1 1323497739 VJNFIWLBWNUJED-NWDGAFQWSA-N 300.355 -0.527 30 20 DBED C#CCSCCNC(=O)C(=O)NCc1nn(CC)nc1C 1326240017 UVDCSUNUWHTYEP-UHFFFAOYSA-N 309.395 -0.295 30 20 DBED CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)C(=O)N1CC[C@](O)(CC#N)C1 1329350413 YIYIHOKXGDTRLO-MEQWQQMJSA-N 321.377 -0.207 30 20 DBED COC[C@@](C)(C#N)NC(=O)[C@@H](CO)NC(=O)OC(C)(C)C 1329359822 CALNAETVDGFLDH-NOZJJQNGSA-N 301.343 -0.083 30 20 DBED CO[C@H]1CCCN(C(=O)C(=O)N2CCN(CCC#N)CC2)C1 1332000560 CSQZPBDYHQTLPD-ZDUSSCGKSA-N 308.382 -0.318 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N[C@@H]2CCO[C@H](C)C2)nn1 1332045675 QRNRJRHYWZQROI-GHMZBOCLSA-N 307.354 -0.236 30 20 DBED CN1C(=O)[C@@H]2CN(c3nnc([C@H]4C[C@@H]4C#N)n3C)C[C@@H]2C1=O 1339700948 PKDSKSVSPHQDAQ-RGOKHQFPSA-N 300.322 -0.507 30 20 DBED CN(C)CC#CCNC(=O)Nc1ncn(CC(=O)N(C)C)n1 1341266894 YYLIIOYCOLXTFY-UHFFFAOYSA-N 307.358 -0.947 30 20 DBED C=CCCCn1nnnc1N1CCN(S(C)(=O)=O)CC1 1344023385 LZPQBKASWOLPSQ-UHFFFAOYSA-N 300.388 -0.279 30 20 DBED CCN1C[C@H](CNC(=O)C(=O)N2CCC(C#N)CC2)CC1=O 1346410720 HWFLRNXXHVGIFV-LBPRGKRZSA-N 306.366 -0.267 30 20 DBED N#Cc1cn(CC(=O)N[C@@H]2CCC[C@H]2CCO)c(=O)nc1O 1362711016 PSJNPFGDGGBTPU-GXSJLCMTSA-N 306.322 -0.512 30 20 DBED CNC(=O)NC(=O)CN1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 1369973811 YNPYVTUPMZETEY-JTQLQIEISA-N 318.337 -0.854 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN([C@H](C)C(=O)NC2CCCC2)C1 1376139529 DFVBIBMCJASDMD-VXGBXAGGSA-N 322.409 -0.244 30 20 DBED CCN(CCNC(=O)[C@@H](C)C#N)CC(=O)NC[C@@H]1CCCO1 1390884910 GQGRPCOUWRCGFF-STQMWFEESA-N 310.398 -0.121 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCN[C@H](C)C(=O)NC(=O)NC1CC1 1391205198 AHIDGOBQZVETRZ-VHSXEESVSA-N 309.370 -0.429 30 20 DBED C[C@@H](C#N)C(=O)NCCN1CCN([C@H](C)c2nncn2C)CC1 1402101626 JYLNHBSPXRMQHO-QWHCGFSZSA-N 319.413 -0.230 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(CCCN2CCCC2=O)C1 1402316626 HYTROKLOJSEHTR-LBPRGKRZSA-N 308.382 -0.679 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](C)CN(C)C(=O)c1ccc2nnnn2c1 1412617990 OQBNYRLASWYOBZ-VHSXEESVSA-N 315.337 -0.139 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1C[C@@H](NC(=O)[C@H]2CCNC(=O)C2)C1 1414214102 ADMAYXDHEVVXCU-WYUUTHIRSA-N 306.366 -0.317 30 20 DBED N#Cc1ccc(NCC(=O)N[C@@H]2CCCN(CC(N)=O)C2)nc1 1417637700 IEJBKTKPSNBLOA-GFCCVEGCSA-N 316.365 -0.569 30 20 DBED COCCN(CCNC(=O)[C@H](C)C#N)C(=O)c1ccc(O)nn1 1428425246 QPCBDPXJWPNQMM-SNVBAGLBSA-N 321.337 -0.453 30 20 DBED CCS(=O)(=O)N[C@@H](C)C(=O)N(C)CCNC(=O)[C@@H](C)C#N 1431476726 AETGSKUGSQGTOO-UWVGGRQHSA-N 318.399 -0.952 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1n[nH]c2ccccc12 1433341710 WZEGVDMVPWVNRR-VHSXEESVSA-N 315.333 -0.071 30 20 DBED CC[C@@H]1CN(C)CCN1C(=O)CCn1cc(C#N)c(O)nc1=O 1434022668 XWGOPBMWKGBREO-GFCCVEGCSA-N 319.365 -0.237 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CN(C)C(=O)CCc1cnc[nH]1 1444697254 WJJVKSSURSMNCS-ZYHUDNBSSA-N 307.354 -0.563 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2CCC(=O)NC2)C1 1445965508 ZWQJUXIHDZOVOX-NNYUYHANSA-N 306.366 -0.317 30 20 DBED CC(=O)NCC(=O)N1CC2(CCCN(C(=O)[C@@H](C)C#N)C2)C1 1450563746 RUNVOUXWGHIXES-NSHDSACASA-N 306.366 -0.267 30 20 DBED N#Cc1c[nH]c(C(=O)NC2(CNC(=O)Cn3cncn3)CC2)c1 1453566432 VYSPZCFIEYJMMJ-UHFFFAOYSA-N 313.321 -0.443 30 20 DBED Cn1c(N[C@H](CO)[C@H]2CCCOC2)c(C#N)c(=O)n(C)c1=O 1458431925 SUGVROKGNZESKL-GXSJLCMTSA-N 308.338 -0.845 30 20 DBED CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@](F)(C#N)C1 1466908362 LVVLEDSKMYHORD-HZMBPMFUSA-N 312.345 -0.143 30 20 DBED N#Cc1cc(CNC(=O)c2cnn(C[C@@H](O)CO)c2)ccn1 1467725972 BJJQKWUXJYYCAF-CYBMUJFWSA-N 301.306 -0.567 30 20 DBED C[C@@H](C(=O)NC[C@H]1CCCN(C(N)=O)C1)n1cnc(C#N)n1 1468660154 NZLHVUBGRLVEHX-VHSXEESVSA-N 305.342 -0.382 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)CCc2ccn(C)n2)C1 1494704579 JXWHRBJSYOGLLN-AWEZNQCLSA-N 319.409 -0.155 30 20 DBED N#C[C@@H](C(=O)[C@H]1CCCCO1)C(=O)N1CCS(=O)(=O)CC1 1523861935 KULZAGNRAHCKMJ-WDEREUQCSA-N 314.363 -0.479 30 20 DBED CN1CCO[C@@H](C(=O)NCCN(C)C(=O)c2cc(C#N)c[nH]2)C1 1528003770 DVVGJHYMUOZYSN-CYBMUJFWSA-N 319.365 -0.595 30 20 DBED C#CCNC(=O)CN1CC[C@@]2(NC(=O)CNC(=O)O)CCC[C@H]12 1573310759 CFWWDOWZTZDNKH-NHYWBVRUSA-N 322.365 -0.883 30 20 DBED N#C[C@@H]1CNCC12CC(C(=O)N1C[C@@H](CO)[C@H](CCO)C1)C2 1580042289 QBQRCGNJKBXNLK-BCWAKEQVSA-N 307.394 -0.425 30 20 DBED C#CC[C@H](CO)NC(=O)c1ccc(-c2nn[nH]n2)c(OC)c1 1588331352 OAYLWQNMSBGGFI-SNVBAGLBSA-N 301.306 -0.011 30 20 DBED C#CC[C@H](NC(=O)CN(C)C(=O)[C@@H](C)n1cccn1)C(=O)O 1588406115 YBKXLWFHEMHTBB-MNOVXSKESA-N 306.322 -0.505 30 20 DBED C=C(C)CNC(=O)CCn1cc(-c2nn[nH]n2)c(O)nc1=O 1588430818 TZYRBHPCIATUDT-UHFFFAOYSA-N 305.298 -0.789 30 20 DBED C=CC[C@@H](CO)NC(=O)[C@H](O)c1ccc(-c2nn[nH]n2)cc1 1588545763 NLYXDPVQSDMUKX-NWDGAFQWSA-N 303.322 -0.047 30 20 DBED C[C@@](C#N)(NC(=O)CN1CCC([C@H](O)C(=O)O)CC1)C1CC1 1589323392 CBNOLVKARIKCKA-ZFWWWQNUSA-N 309.366 -0.048 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)NC[C@@]1(C(=O)O)CCOC1 1589330791 QNZSUSMHPYMXKD-ONGXEEELSA-N 305.356 -0.596 30 20 DBED CC(C)[C@@H](NS(C)(=O)=O)C(=O)N(CC#N)CCC(=O)O 1591036441 UTUYEWDOYMVXCU-SNVBAGLBSA-N 305.356 -0.613 30 20 DBED C[S@@](=O)C1(CNc2cnc(C#N)c(-c3nn[nH]n3)n2)CC1 1591683179 UTFHMCHSPBNPTB-OAQYLSRUSA-N 304.339 -0.149 30 20 DBED N#Cc1nc(N)n(CC(=O)NC2CCCC2)c1-c1nn[nH]n1 1592705986 LQXZAFXKSVKTJT-UHFFFAOYSA-N 301.314 -0.424 30 20 DBED CCN(CCC#N)S(=O)(=O)NCc1nc(C(=O)O)co1 1596300416 ZRTPEHCBUFJULJ-UHFFFAOYSA-N 302.312 -0.057 30 20 DBED Cn1ncc2c(=O)n(N=Cc3cccn3CC(=O)O)cnc21 1601029544 HGQIGOMWHJMFPP-UHFFFAOYSA-N 300.278 -0.102 30 20 DBED N#CCC(=O)N1CCN(C(=O)c2cc(C(=O)O)ccn2)CC1 1601061246 RXWFYVWZEQXWNH-UHFFFAOYSA-N 302.290 -0.022 30 20 DBED C#CCN(CC(=O)O)c1nnc(-c2cn[nH]c2)n1CCOC 1602699593 XRFJGGDHRYGGAD-UHFFFAOYSA-N 304.310 -0.161 30 20 DBED C=CCNC(=O)NC(=O)Cn1ccc(-c2nn[nH]n2)cc1=O 1602862672 GMALXXVOJXDVFH-UHFFFAOYSA-N 303.282 -0.960 30 20 DBED N#CCN1CC(OC2CCN(C(=O)[C@H]3C[C@@H]3C(=O)O)CC2)C1 1608188646 ZOJTYGYUDHGIRT-STQMWFEESA-N 307.350 -0.078 30 20 DBED N#Cc1c(-c2nn[nH]n2)nc(N)n1CC(=O)Nc1nccs1 1609496621 XWKCDXMTVVBFLV-UHFFFAOYSA-N 316.310 -0.388 30 20 DBED C#CCNC(=O)CN1CCC[C@@H](CNC(=O)[C@@]2(C)CCOC2)C1 1752788458 JZUUPHDVNNLXQQ-YOEHRIQHSA-N 321.421 -0.009 30 20 DBED C#CCCN[C@@H]1CCC[C@@H](NC(=O)CS(=O)(=O)N(C)C)C1 1752980173 JYCZGGXLSQCSDO-CHWSQXEVSA-N 315.439 -0.082 30 20 DBED C=CCNC(=O)NC(=O)CN1CC(NC(=O)c2nc(C)c[nH]2)C1 1753388498 STVOJSMHICNHFE-UHFFFAOYSA-N 320.353 -0.856 30 20 DBED CC[C@@H](CNC(=O)c1ccn(C)c(=O)c1)NCC(=O)NCC#N 1753476959 ACJRGDAWPQWEBJ-LBPRGKRZSA-N 319.365 -0.877 30 20 DBED C#CCNCC[C@@H]1CCCN(C(=O)Cn2ncn(C)c2=O)C1 1753550475 RNLUYYQSXDBJFI-ZDUSSCGKSA-N 305.382 -0.567 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@H]1CN(Cc2cn(C)nn2)CCO1 1753649943 KAFKTNNSBOCOHB-ZFWWWQNUSA-N 323.397 -0.541 30 20 DBED CN1CC(=O)N(CC(=O)N2CCCC[C@H]2CCNCC#N)C1=O 1753789219 WKSBDIVGMPQIHE-LBPRGKRZSA-N 321.381 -0.235 30 20 DBED C=CCNC(=O)[C@H](C)N(C)CCN(C)C(=O)c1cnn(C)c1N 1753851923 VKNURSUZKGDTJQ-NSHDSACASA-N 322.413 -0.303 30 20 DBED C#CCNC(=O)CNC[C@H]1CCC[C@@H]1NC(=O)c1ccnn1C 1753880174 NTOCQZDPOJXMDT-OLZOCXBDSA-N 317.393 -0.342 30 20 DBED C=CCNC(=O)CNC[C@H](C)NC(=O)c1ccn(C)c(=O)c1 1754273453 RZYXWURPLBMWFE-NSHDSACASA-N 306.366 -0.605 30 20 DBED C=CCNC(=O)CN1C[C@H]2C[C@H]1[C@@H]2NC(=O)CNC(=O)C1CC1 1754420949 VDWDZIJUNPOTIP-TYNCELHUSA-N 320.393 -0.996 30 20 DBED CC(C)[C@@H](O)C(=O)N1C[C@@H]2CCC[C@H](C1)N2CC(=O)NCC#N 1754551620 LJHYHOWLOKSFMC-VNHYZAJKSA-N 322.409 -0.292 30 20 DBED COCCn1cc(C(=O)N[C@]2(CO)CCCN(CC#N)C2)nn1 1754856167 FTELWEZUMIMJHE-CQSZACIVSA-N 322.369 -0.995 30 20 DBED CC(C)(C)C#CC(=O)N(CCO)CCNCC(=O)NC1CC1 1754881849 MOLRJCAQFIOJCQ-UHFFFAOYSA-N 309.410 -0.275 30 20 DBED CCO[C@H]1C[C@H]1C(=O)N[C@H]1C[C@H](CNCC(=O)NCC#N)C1 1755465934 BHKOEXOKLBHWGR-LPWJVIDDSA-N 308.382 -0.464 30 20 DBED C#CCNC(=O)CNC[C@H]1C[C@H](NC(=O)[C@@H]2CCCCO2)C1 1755469253 ISCRIKMUIFPTHM-IHRRRGAJSA-N 307.394 -0.211 30 20 DBED CC(C)C#CC(=O)NC[C@H](CO)NCCCS(C)(=O)=O 1755627569 IFQWSOOSYHCJAS-GFCCVEGCSA-N 304.412 -0.853 30 20 DBED N#CCNC(=O)CN[C@@H](CO)CNC(=O)c1ccoc1C1CC1 1755636385 GZNUFINHNHVCIK-LLVKDONJSA-N 320.349 -0.523 30 20 DBED C=CCN(C)CCN(C(=O)c1cn(CC(N)=O)nn1)C(C)C 1755815148 BXEUUNJTYYHEIP-UHFFFAOYSA-N 308.386 -0.268 30 20 DBED C#CCCCC(=O)N[C@H](C)[C@@H]1CN(C(=O)CC(N)=O)CCO1 1756217967 QJQZKIGSYQQZPW-NEPJUHHUSA-N 309.366 -0.603 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@H](CO)NC(=O)c1nc(C)c[nH]1 1756515416 LMVHNMHMVSBBID-HZMBPMFUSA-N 310.354 -0.748 30 20 DBED CC(C)C#CC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CCNC3=O)C[C@H]21 1757228828 XHQCBDWREPXOSZ-MGPQQGTHSA-N 317.389 -0.159 30 20 DBED C#CC(=O)N1CC2(CCCN2C(=O)C2=NN(C)C(=O)CC2)C1 1841864975 HAPNARPNLFMWRD-UHFFFAOYSA-N 302.334 -0.569 30 20 DBED COCCNC(=O)CN1CCN(C[C@H](C#N)CCC#N)CC1 78615469 KBPSENOOTJMJBY-AWEZNQCLSA-N 307.398 -0.190 30 20 DBED CCNC(=O)CN1CCN(C(=O)c2ccc(C#N)cn2)CC1 107548015 DBMLMBKBRMUGTQ-UHFFFAOYSA-N 301.350 -0.153 30 20 DBED CN1CCC[C@@H]2CN(c3c(C#N)c(=O)n(C)c(=O)n3C)CC[C@H]21 133584146 HEYGRTORPMHXRW-DGCLKSJQSA-N 317.393 -0.124 30 20 DBED Cc1ccc(S(=O)(=O)N[C@H](C(=O)NCC#N)[C@@H](C)O)cc1 272482360 QRNXZZZUQLMVCJ-PWSUYJOCSA-N 311.363 -0.338 30 20 DBED C[C@@H](O)CN(CCO)CCS(=O)(=O)c1ccc(C#N)cn1 289372412 BLUYLLDVEAEDSE-LLVKDONJSA-N 313.379 -0.598 30 20 DBED CN1CCOC[C@H]1/C(O)=N/C[C@H]1CCCN1S(C)(=O)=O 329003727 YBWPHOKUFORELF-MNOVXSKESA-N 305.400 -0.303 30 20 DBED CN(CC/N=C(/O)N(C)[C@H]1CCN(S(C)(=O)=O)C1)C1CC1 330180064 FSRKVLMLXFAQIK-LBPRGKRZSA-N 318.443 -0.040 30 20 DBED CCC/N=C(/O)NC(=O)CN1CCC[C@H]1CS(=O)(=O)NC 331152939 IUUIAHFDFAZHGW-JTQLQIEISA-N 320.415 -0.560 30 20 DBED CC(C)N1C[C@H](/N=C(/O)N(C[C@H](C)O)[C@H](C)CO)CC1=O 331299110 VGBLYSDVIXKBLF-GRYCIOLGSA-N 301.387 -0.027 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N[C@H]2CCN3CCCC[C@@H]23)CCO1 336919394 PCPGPPVZFHXGRD-AGIUHOORSA-N 314.411 -0.328 30 20 DBED CO[C@@H]1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)[C@@H](C)C1 337182070 BEPKTYQQFXWZQV-QJPTWQEYSA-N 303.384 -0.045 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CCC[C@@H]2C(=O)NC[C@H]21 337231502 IXOAPSXDIFOHAO-WDEREUQCSA-N 300.384 -0.323 30 20 DBED CCOC(=O)[C@](C)(O)CNS(=O)(=O)N(C)[C@H](C)CC#N 337852280 YDPCRQFAUIJZOZ-MWLCHTKSSA-N 307.372 -0.631 30 20 DBED C=CC[C@H](CO)CNC(=O)NCCNC(=O)c1cnccn1 341803813 YNLNUAYNQQYEJA-NSHDSACASA-N 307.354 -0.310 30 20 DBED N#Cc1cc(N2CCN(C(=O)CO)CC2)cc(N)c1[N+](=O)[O-] 342697311 BQRCUDIGHXQNAB-UHFFFAOYSA-N 305.294 -0.310 30 20 DBED N#CCNC(=O)CN1C(=O)C(=O)N(CCc2cccs2)C1=O 342788431 ZTCGGILJGNLAIS-UHFFFAOYSA-N 320.330 -0.279 30 20 DBED C=CCCO[C@H](C)C(=O)N1CCC[C@H](CNS(N)(=O)=O)C1 352153172 DVGGKLDWJNUEOL-VXGBXAGGSA-N 319.427 -0.001 30 20 DBED COc1ccnc(N2CCC(C(=O)NCC#CCO)CC2)n1 352182892 WZYIEBMDPVHIOJ-UHFFFAOYSA-N 304.350 -0.187 30 20 DBED COCC[C@H]1COCCN1S(=O)(=O)N1CCO[C@@H](C#N)C1 360423836 ZDQIPLYQLGXGMS-RYUDHWBXSA-N 319.383 -0.807 30 20 DBED C=CCN1CCC(NC(=O)C(=O)N2C[C@H](C)N[C@@H](C)C2)CC1 419738786 ZLBUIKSDNVQGQY-STQMWFEESA-N 308.426 -0.038 30 20 DBED CNCCN(C)C(=O)C(=O)N1CC(Oc2ccc(C#N)cc2)C1 423558693 JLXPYMPKSUFLBK-UHFFFAOYSA-N 316.361 -0.174 30 20 DBED C[C@@](O)(CNS(=O)(=O)CCCCC#N)CN1CCOCC1 443256881 YXBLFFBHIBPFIO-CYBMUJFWSA-N 319.427 -0.317 30 20 DBED C#CCNC(=O)C1CCN(C(=O)C2=NN(C)C(=O)CC2)CC1 491101138 JAHRKKMBHPLOLV-UHFFFAOYSA-N 304.350 -0.417 30 20 DBED COC(=O)NCC(=O)NS(=O)(=O)Cc1cccc(C#N)c1 491179029 NVHZENDHYOCEHU-UHFFFAOYSA-N 311.319 -0.140 30 20 DBED CC(C)(C#N)CCS(=O)(=O)NC[C@@H]1CC[C@H](C(N)=O)O1 569411471 JRXZDDHQRCYTOO-VHSXEESVSA-N 303.384 -0.121 30 20 DBED N#Cc1ncn(CCNC(=O)Nc2cccnc2-n2cncn2)n1 588240991 XJDNXCBATDLXSS-UHFFFAOYSA-N 324.308 -0.053 30 20 DBED C[C@@H]1CCCN(c2c(C#N)c(=O)n(C)c(=O)n2C)[C@@H]1CCN 596013235 FXXGWGFCCFENGY-ZYHUDNBSSA-N 305.382 -0.091 30 20 DBED CCn1nccc1CNC(=O)C(=O)N1CCN(CCC#N)CC1 602290128 SUTRPGPJAMEVIE-UHFFFAOYSA-N 318.381 -0.423 30 20 DBED CCS(=O)(=O)NCCS(=O)(=O)N1CC[C@@](F)(C#N)C1 615544987 JXHIORUVCJYSJD-SECBINFHSA-N 313.376 -0.807 30 20 DBED C=CCn1cc(C(=O)N(C)[C@H]2CCN(S(C)(=O)=O)C2)nn1 648399114 GUEUYGYUQJWKDB-JTQLQIEISA-N 313.383 -0.430 30 20 DBED C=C[C@H](O)C(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 667117226 ROKUQQQNGPMNIF-WOPDTQHZSA-N 303.380 -0.272 30 20 DBED C=C(C)CS(=O)(=O)N1CCN(S(=O)(=O)N(C)C)CC1 684760973 FRWBMSWPWYLUEO-UHFFFAOYSA-N 311.429 -0.684 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCCN1CCC[C@H](C(N)=O)C1 730284133 QCASHJAWLRPYQB-GJZGRUSLSA-N 320.437 -0.212 30 20 DBED C#CCNC(=O)CN1CCN(Cc2ccc(C(=O)O)o2)CC1 736076439 PGRQCBISXZWWJX-UHFFFAOYSA-N 305.334 -0.155 30 20 DBED C=CCN1CCC(NS(=O)(=O)CCS(C)(=O)=O)CC1 742293153 IXIKYYLWASRIHC-UHFFFAOYSA-N 310.441 -0.399 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N1C[C@H](OC)[C@H](OC)C1 753626822 YCIDZGXZVVNBFH-PHIMTYICSA-N 306.384 -0.358 30 20 DBED COC(=O)N1CCC[C@H](NC(=O)NCCn2cnc(C#N)n2)C1 805051221 UBJJXNFIPDYFAI-JTQLQIEISA-N 321.341 -0.320 30 20 DBED C#CCCS(=O)(=O)NC(=O)c1cn(CC2(C)COC2)nn1 810780862 UTPWDTQEPOQULL-UHFFFAOYSA-N 312.351 -0.603 30 20 DBED C#CCONC(=O)CNS(=O)(=O)c1cccc(C(C)=O)c1 812784100 VFZOPRAWIZOCQJ-UHFFFAOYSA-N 310.331 -0.152 30 20 DBED CCCc1nnc(SCC(=O)N2CCO[C@@H](C#N)C2)n1N 813443342 MBSFYSNUCZEARK-VIFPVBQESA-N 310.383 -0.213 30 20 DBED C#CCOCCN[C@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 823856565 UCACEYTTXMZRBZ-LBPRGKRZSA-N 300.322 -0.368 30 20 DBED N#C[C@@H]1CNC[C@H]1NC(=O)CCNC(=O)OCC(F)(F)F 834500775 WXUJHQLUZLJSGO-HTQZYQBOSA-N 308.260 -0.107 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)NCCc1ccn(C)n1 875319564 NIGTZXLBFAJHPR-GFCCVEGCSA-N 306.366 -0.377 30 20 DBED CC(=O)NCC(=O)NCC(=O)OCCOc1ccc(C#N)cc1 917327465 HOXHEYOPXOHPBF-UHFFFAOYSA-N 319.317 -0.267 30 20 DBED CN(C(=O)Cc1nc[nH]n1)[C@@H]1CCN(C(=O)C#CC2CC2)C1 937354906 XKCHYKAAUGXOJN-GFCCVEGCSA-N 301.350 -0.180 30 20 DBED CO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1NC(=O)c1n[nH]cc1C 941731775 NPZDYFXUUYCCFY-JMJZKYOTSA-N 305.338 -0.167 30 20 DBED C[C@@H]1CN(CC#N)CC[C@H]1NC(=O)c1cnn2c(=O)cc[nH]c12 943467184 USDGKRQEFVSUTQ-ZYHUDNBSSA-N 314.349 -0.014 30 20 DBED Cc1nn[nH]c1C(=O)N1CC(N(C)C(=O)c2c[nH]c(C#N)c2)C1 954105760 VCZBFEOAEAUGBN-UHFFFAOYSA-N 313.321 -0.091 30 20 DBED C#Cc1ccc(C(=O)N2CCN([C@H](C)C(=O)NC)CC2)nc1 957379088 ZUSNSIGBKQYOAY-GFCCVEGCSA-N 300.362 -0.045 30 20 DBED C=CCN1C[C@@H](O)[C@@H](CNC(=O)c2cn(CCOC)nn2)C1 958061850 CVUCBDBTCIRGHW-WCQYABFASA-N 309.370 -0.867 30 20 DBED C#CCCN1C[C@H](O)[C@H](CNC(=O)c2cccc(=O)n2C)C1 958394708 IIVTXVMVLHIZJJ-OCCSQVGLSA-N 303.362 -0.569 30 20 DBED C#CCN1C[C@H](CNC(=O)c2ncoc2-c2ccon2)[C@@H](O)C1 958595625 SSAQJBYHKDKROY-JQWIXIFHSA-N 316.317 -0.015 30 20 DBED CN(C(=O)Cn1cccn1)[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 958596806 XPGKGNXIGYUHNN-KBPBESRZSA-N 316.361 -0.673 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C2(C)CCOCC2)C1 958892920 BQEIJQOSZBUHMC-AVGNSLFASA-N 323.393 -0.007 30 20 DBED CC#CCN1C[C@H]2[C@H](NC(=O)c3ccc(S(N)(=O)=O)o3)[C@H]2C1 960773102 IWZQDRYEALONDV-IWIIMEHWSA-N 323.374 -0.390 30 20 DBED C=CCCN1C[C@H]2[C@H](NC(=O)CN3CCC(=O)NC3=O)[C@H]2C1 962231582 WGAXLJSLGKOXJA-YABSGUDNSA-N 306.366 -0.449 30 20 DBED O=C(Cc1ccoc1)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 962453716 XEFMYNWLQKJCRB-KGLIPLIRSA-N 302.330 -0.077 30 20 DBED C=C[C@](C)(CC)C(=O)N1C[C@H](O)[C@H](NC(=O)c2cn(C)nn2)C1 962694213 PBZBJEYPYQODKY-IFUGULHKSA-N 321.381 -0.281 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)c1ccnnc1 964380636 WTOLAGCGVMZDFY-JQWIXIFHSA-N 303.322 -0.407 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H](NC(=O)Cn2ncnn2)CC1 964929548 WCYKCFOFDZLEPE-QWRGUYRKSA-N 305.342 -0.670 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CN(C(=O)Cc3cnoc3)CCO2)C1 965450943 DWVGTLXSXXSNBG-LLVKDONJSA-N 318.333 -0.183 30 20 DBED C#Cc1ccc(C(=O)N2C[C@H](C)[C@@H](NC(=O)C(N)=O)C2)cn1 966653880 SYPMVVYCQXRQBL-CABZTGNLSA-N 300.318 -0.875 30 20 DBED Cc1nc(O)[nH]c1C(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 966877042 BKBKQEZOPXSKGV-MNOVXSKESA-N 318.333 -0.861 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C2CCC2)C[C@@H]1O 968348267 WRNGSUSYQQIZKC-ILXRZTDVSA-N 319.405 -0.428 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@@H](NCC(=O)N2CCC2)C1 968952971 XKHJCLCTLCGAOW-CABCVRRESA-N 318.421 -0.493 30 20 DBED C[C@H](NC(=O)[C@H]1CN2CC3CC2(CO1)C3)C1CN(CC#N)C1 970190069 LBGZTCWCDHCEHV-RDNPCOENSA-N 304.394 -0.190 30 20 DBED Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)c(O)n1 970942629 MCHRUCCJNWOIRY-FXAINCCUSA-N 318.333 -0.443 30 20 DBED Cc1[nH]nc(C(=O)N2CC[C@]3(CN(CC#N)CCO3)C2)c1O 972347789 ZVBVSNPLJMYAOQ-AWEZNQCLSA-N 305.338 -0.136 30 20 DBED CC#CCN1CCO[C@@]2(CCN(C(=O)[C@@H]3COC(=O)N3)C2)C1 972359045 WEQNGCPELSRMSR-WFASDCNBSA-N 307.350 -0.579 30 20 DBED C=C(C)C(C)(C)C(=O)N1C[C@H]2[C@H](NC(=O)Cn3cnnn3)[C@H]2C1 976137591 BQSKBKKTXYCYJH-PJXYFTJBSA-N 318.381 -0.152 30 20 DBED CN1C(=O)CC[C@@H]1C(=O)N[C@H]1[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]21 977024446 NMOKZIXGNZRHEG-IATRGZMQSA-N 315.373 -0.406 30 20 DBED CN(C[C@@H]1CCN1C(=O)CC(N)=O)C(=O)c1cc(C#N)c[nH]1 977524775 XZABEAJURSFOGY-JTQLQIEISA-N 303.322 -0.565 30 20 DBED C#CCN1C[C@H]2[C@H](CNC(=O)[C@H]3CCCCS3(=O)=O)[C@H]2C1 978250296 OMKCRZXMJJVTCE-YIYPIFLZSA-N 310.419 -0.119 30 20 DBED C#CCN1C[C@H]2[C@H](CNC(=O)c3cnn4c(=O)cc[nH]c34)[C@H]2C1 978836292 URZNOGVCVRRIJM-UOJUARBOSA-N 311.345 -0.437 30 20 DBED N#CCN1C[C@@H]2CC[C@H](NC(=O)Cn3c(O)nnc3O)C[C@H]2C1 980233788 UZRGVFDXPVFGQO-DCAQKATOSA-N 320.353 -0.570 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)C(N)=O)[C@@H]2C)cn1 989168764 ZSMMUDUWEHRRPT-SKDRFNHKSA-N 300.318 -0.733 30 20 DBED C#CCN1CCC(C(=O)N[C@@H]2CCN(C(=O)CC)C[C@H]2O)CC1 991550201 YUQVSQOSHFMKBP-HUUCEWRRSA-N 321.421 -0.180 30 20 DBED C#CCCN1CCC[C@H](NC(=O)CN2C(=O)CN(C)C2=O)[C@H]1C 994359909 CBMVXXQWIZEMGL-OLZOCXBDSA-N 320.393 -0.127 30 20 DBED C#Cc1ccccc1CC(=O)NC1CN(C(=O)Cn2cnnn2)C1 997233385 RHXOGGPFJOXLAN-UHFFFAOYSA-N 324.344 -0.776 30 20 DBED CN1C[C@H](C(=O)NC2(C3CCN(CC#N)CC3)CC2)NC1=O 1000233040 UCIOIOYEHZYHQY-GFCCVEGCSA-N 305.382 -0.106 30 20 DBED C=CCN[C@H]1CCCN(C(=O)[C@@H]2CCN(C)S2(=O)=O)C1 1000427215 MOTVDKQCSGJYEA-RYUDHWBXSA-N 301.412 -0.213 30 20 DBED CC1(C)CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)[C@H]1C[C@H]1C(N)=O 1008607018 WMYGKPZUVIHSSX-FRRDWIJNSA-N 317.389 -0.126 30 20 DBED C[C@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(CC(=O)N1CCOCC1)C2 1017423182 RFVPPFAAGHBLRQ-RDBSUJKOSA-N 320.393 -0.320 30 20 DBED C[C@H](C#N)C(=O)N1CCC2(C1)CN(C(=O)[C@]1(C)CNC(=O)C1)C2 1019199691 CVJFEXDHUNBGJK-ABAIWWIYSA-N 318.377 -0.267 30 20 DBED N#CCN[C@H]1C[C@H](NC(=O)c2cn(C[C@H]3CCOC3)nn2)C1 1020841250 FGMKBSZJMOQCPS-IJLUTSLNSA-N 304.354 -0.311 30 20 DBED Cn1cc(C(=O)NC2C[C@@H]3CC[C@H](C2)N3CC#N)c(O)nc1=O 1021458513 OVXDHSSILWPLMI-FGWVZKOKSA-N 317.349 -0.265 30 20 DBED C=C(C)CN1CCC[C@H](CNC(=O)c2cn(CC(N)=O)nn2)C1 1023761909 MCSSKYSCPIAIFO-GFCCVEGCSA-N 320.397 -0.219 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN([C@@H](C)c2nncn2C)C1 1030464427 SLPZFHZHDWYKNE-JSGCOSHPSA-N 316.409 -0.226 30 20 DBED C#Cc1ccc(C(=O)NC2CN(CCN3CCNC3=O)C2)cn1 1031278490 OEYJWUQZXUIVTQ-UHFFFAOYSA-N 313.361 -0.498 30 20 DBED C#Cc1ccc(C(=O)NCC2CN(Cc3nnnn3C)C2)nc1 1032135480 WKQXZKDLRSAAOW-UHFFFAOYSA-N 311.349 -0.552 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2CN([C@H](C)C(N)=O)CCO2)cn1 1035581480 JLWAUBXTOHCVDA-RISCZKNCSA-N 316.361 -0.633 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@@H]3[C@@H](CCN3CC(N)=O)C2)c1 1036679065 ARWPSIPKAIYXJO-WCQYABFASA-N 301.350 -0.092 30 20 DBED CC#CCN1CC[C@@H]2CN(C(=O)c3nnc(O)nc3O)CC[C@@H]21 1036762452 KBDVIZTUBCCIGN-MNOVXSKESA-N 317.349 -0.158 30 20 DBED N#CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1coc(S(N)(=O)=O)c1 1037473085 VYJAUXXCLSCPOE-POZPLHJXSA-N 310.335 -0.747 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCN1Cc1n[nH]c(C)n1 1038369902 XMZHGXXLOMPGCS-KGLIPLIRSA-N 316.409 -0.099 30 20 DBED C=C(C)CN1CC[C@@H]1CNC(=O)c1cn(C)c(=O)n(C)c1=O 1038758950 DQKYIZDOVATREV-LLVKDONJSA-N 306.366 -0.536 30 20 DBED C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C1CC(=O)NC(=O)C1 1039452696 KCQYEXPRDPXKNC-OLZOCXBDSA-N 303.362 -0.262 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3COCCO3)C2)cn1 1040928667 RRVGHIDARRQYBL-MGPQQGTHSA-N 318.333 -0.966 30 20 DBED Cc1nc(C)c(C(=O)NC[C@]2(O)CCN(C(=O)[C@H](C)C#N)C2)[nH]1 1040940263 IEWDIFPPDQPCGE-RFAUZJTJSA-N 319.365 -0.121 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)c2ccncc2)C1 1041174609 YXMMHRIZDXLMLJ-GFCCVEGCSA-N 317.345 -0.577 30 20 DBED CSCC(=O)NCC1(O)CN(C(=O)c2ccc(C#N)[nH]2)C1 1041359017 KJILLFYLIVYYKJ-UHFFFAOYSA-N 308.363 -0.448 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(O)(CNC(=O)[C@@H](C)OC)C1 1041759084 OPNKTTAXKGWLCI-MFKMUULPSA-N 300.355 -0.962 30 20 DBED C#CCN1CC[C@H]2CCN(C(=O)CC3CS(=O)(=O)C3)C[C@H]21 1042122603 ONPSTEBXMWLKGS-UONOGXRCSA-N 310.419 -0.023 30 20 DBED N#CCN1CC[C@H]2CCN(C(=O)CCN3C(=O)CCC3=O)C[C@H]21 1042143667 ZGNWEJVFIIBSDG-QWHCGFSZSA-N 318.377 -0.028 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)/C=C\C2CC2)C1 1042324369 UWDUBDDZIVITNS-DGMVEKRQSA-N 306.362 -0.320 30 20 DBED C#CCN1CC[C@H]2CCN(C(=O)c3cn(C)c(=O)n3C)C[C@@H]21 1042371906 WLTFZIHLBGGEBZ-STQMWFEESA-N 302.378 -0.107 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)[C@H]2C[C@]23CCOC3)C1 1042801928 YTIBRNPKPKIGCL-CJNGLKHVSA-N 320.389 -0.094 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)Cc2cnoc2)C1 1042942693 AMLHPNQVYIKNSJ-UHFFFAOYSA-N 305.334 -0.434 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)c2nccs2)C1 1043040805 XAMUHJALYJFTRQ-SNVBAGLBSA-N 323.374 -0.516 30 20 DBED C=CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)CC(C)(C)O)C1 1043571344 NJZXJCFRGOLBNN-NSHDSACASA-N 314.382 -0.572 30 20 DBED CC[C@@H](F)C(=O)NCC1(O)CN(C(=O)c2cc(C#N)c[nH]2)C1 1044790999 YAHLIGVPEPTGND-SNVBAGLBSA-N 308.313 -0.062 30 20 DBED CCN1CCCC[C@@H]1C(=O)N1CC(O)(CNC(=O)[C@@H](C)C#N)C1 1045560460 WFDRFMMVSUKGMD-QWHCGFSZSA-N 322.409 -0.290 30 20 DBED C#CCN1CC[C@@H](N2CCN(C(=O)Cc3cnc[nH]3)CC2)C1 1046067411 YUVOWVGOKCMXOS-OAHLLOKOSA-N 301.394 -0.196 30 20 DBED Cn1ncc(C(=O)N2CCN([C@@H]3CCN(CC#N)C3)CC2)n1 1046070032 NPLJKLPULZQTDR-GFCCVEGCSA-N 303.370 -0.829 30 20 DBED C=CCn1cc(C(=O)N(C)[C@H]2CN(C[C@H](C)OC)C[C@@H]2O)nn1 1047554301 SCZPHEWLDACISG-UBHSHLNASA-N 323.397 -0.384 30 20 DBED C#Cc1ccc(C(=O)N(C)[C@H]2CN(C[C@H](C)O)C[C@@H]2O)nc1 1047601581 BGBQLBQQZTXOGV-CQDKDKBSSA-N 303.362 -0.439 30 20 DBED N#CCN1[C@H]2CC[C@@H]1C[C@H](CNC(=O)C1CS(=O)(=O)C1)C2 1048529042 XZBHMJBZPQMWTM-LMKPVCQUSA-N 311.407 -0.086 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)[C@H]1CN(C(=O)c2cnco2)C[C@@H]1O 1048853088 XWCUHEYGNPKUIF-SRVKXCTJSA-N 321.333 -0.643 30 20 DBED C=CCO[C@H](C)C(=O)N(C)[C@H]1CN(C(=O)c2cnco2)C[C@@H]1O 1049010601 DDOLVEOMQXJZGA-WOPDTQHZSA-N 323.349 -0.091 30 20 DBED Cn1c(O)ncc(C(=O)N2CCC[C@@H]3[C@H]2CCN3CC#N)c1=O 1049633139 GTNSLMLITMBLAN-VXGBXAGGSA-N 317.349 -0.312 30 20 DBED CNC(=O)NCC(=O)N1CC[C@H]([C@H](C)NC(=O)C#CC(C)C)C1 1050936431 YWXGYTKFBPZGGB-STQMWFEESA-N 322.409 -0.072 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2COCCN2CC(=O)NC)cn1 1051214327 KZJCWANJGTWJAB-CQSZACIVSA-N 316.361 -0.761 30 20 DBED N#Cc1ccc(N2CC[C@H](NC(=O)c3cnco3)[C@@H](O)C2)nn1 1051755331 SJRPLGODCPUTAN-QWRGUYRKSA-N 314.305 -0.294 30 20 DBED N#CCN1CCN([C@@H]2CCN(C(=O)c3cnsn3)C2)CC1 1051990975 ZATSILPACDNRHR-LLVKDONJSA-N 306.395 -0.106 30 20 DBED CC#CCN1CCN([C@H]2CCN(C(=O)c3[nH]nnc3C)C2)CC1 1052060569 HUVIVGRTAQBVMK-AWEZNQCLSA-N 316.409 -0.031 30 20 DBED C=CCN1CCN([C@H]2CCN(C(=O)[C@H]3CN(C)C(=O)N3)C2)CC1 1052060817 NBQVQXMYDMAORU-UONOGXRCSA-N 321.425 -0.586 30 20 DBED CNC(=O)NCC(=O)NC[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1C 1052555263 XGUFPUUJHBIOJB-YPMHNXCESA-N 320.393 -0.461 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)C[C@H]3COC(=O)C3)CO2)C1 1053778033 VADOCMWMFHYFRK-OLZOCXBDSA-N 306.362 -0.078 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)c3cccc(=O)n3C)CO2)C1 1053921799 ODALWTQTAOZWRQ-ZDUSSCGKSA-N 315.373 -0.018 30 20 DBED CC(=O)N1CC[C@@](C)(C(=O)N[C@H]2COC3(C2)CN(CC#N)C3)C1 1053976870 JCFBREKXCIFJTA-UKRRQHHQSA-N 320.393 -0.272 30 20 DBED C[C@H]1CN(C(=O)Cn2nnc(-c3ccco3)n2)C[C@@H]1NCC#N 1054837879 GZQVTVOBVJIJIE-QWRGUYRKSA-N 315.337 -0.107 30 20 DBED CO[C@@H](C)C(=O)NC1CCN(CCNC(=O)[C@H](C)C#N)CC1 1055630187 WFNWVMSYIZPGSB-NEPJUHHUSA-N 310.398 -0.122 30 20 DBED Cc1c(C(=O)NC2[C@H]3CN(c4ccnc(C#N)n4)C[C@H]23)nnn1C 1056176920 YJAAEBQYPOPXKC-UWVGGRQHSA-N 324.348 -0.350 30 20 DBED Cn1cc(C(=O)NC2[C@@H]3CN(c4ccncc4C#N)C[C@@H]23)nn1 1056199203 UHCGNNKCZDPBIP-GHMZBOCLSA-N 309.333 -0.054 30 20 DBED CN1CC[C@@H](C(=O)N[C@H]2[C@@H]3CN(c4nccnc4C#N)C[C@@H]32)C1 1056228734 UBYRMNMTZWIOQU-NMKXLXIOSA-N 312.377 -0.149 30 20 DBED C[C@@H](C#N)C(=O)N1CCCN(c2ncnc3c2nnn3C)CC1 1057106981 CLNKIWSRBUGVFW-JTQLQIEISA-N 314.353 -0.043 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)c1ccnc(O)c1 1057330779 IGJOPGUEJMYNJA-UHFFFAOYSA-N 323.349 -0.460 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)c1cncn1C 1057524560 HZQNQWGDPWPDGE-UHFFFAOYSA-N 306.366 -0.370 30 20 DBED C=C[C@@H](C)[C@H](C)C(=O)NCCN(CCO)C(=O)Cn1nccn1 1057702140 JEJWXMKTEUGCCN-OLZOCXBDSA-N 323.397 -0.327 30 20 DBED CC#CCCCC(=O)NCCN(CCO)C(=O)Cn1nccn1 1057702148 JKKLKKWHPTVUGQ-UHFFFAOYSA-N 321.381 -0.591 30 20 DBED CC[C@@H]1[C@@H](C(=O)N(CCO)CCNC(=O)[C@H](C)C#N)CCN1C 1057743129 ADVNBIUOPAUZPL-HZSPNIEDSA-N 324.425 -0.187 30 20 DBED CC(C)[C@@H](C(=O)N(CCO)CCNC(=O)[C@H](C)C#N)N(C)C 1057882383 NIVZHYCIDSNNDU-OLZOCXBDSA-N 312.414 -0.331 30 20 DBED C[C@H]1C[C@H](C(=O)N(CCO)CCNC(=O)C#CC2CC2)CO1 1057949696 YJWCZGIJSKFIET-JSGCOSHPSA-N 308.378 -0.238 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)[C@H]1CCN(C)[C@@H](C)C1 1058497242 MTKFJBYVPATXMA-IHRRRGAJSA-N 324.425 -0.187 30 20 DBED CCc1ocnc1C(=O)NCCN(CCO)C(=O)[C@H](C)C#N 1058652978 JLGXXDPIHAYSMI-SNVBAGLBSA-N 308.338 -0.053 30 20 DBED Cn1oc(C(=O)N2CC[C@H](Nc3nccnc3C#N)C2)cc1=O 1058855602 FSTJCPUUJBMLEN-VIFPVBQESA-N 314.305 -0.033 30 20 DBED C#CCCCC(=O)N1CC[C@@H](CCNC(=O)[C@@H]2CNC(=O)N2)C1 1059551914 SVVCSMSJKYJCOM-OLZOCXBDSA-N 320.393 -0.174 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](CCNC(=O)c2nc[nH]n2)C1 1059645602 FSTJRQNHWLWRML-GFCCVEGCSA-N 319.365 -0.187 30 20 DBED CN(c1cnc(C#N)cn1)[C@@H]1CCCN(C(=O)CC(N)=O)C1 1061182706 PEOBTCANFKLWQS-LLVKDONJSA-N 302.338 -0.349 30 20 DBED N#Cc1ccc(N2CC[C@@H](CNC(=O)[C@H]3COCCO3)C2)nn1 1061525105 IOIIBBNSVYTUNU-WCQYABFASA-N 317.349 -0.294 30 20 DBED C=C(C)C[C@H](C)C(=O)NC[C@@H]1COCCN1C(=O)CC(N)=O 1061794633 NJPKLRWEUTUZBZ-NWDGAFQWSA-N 311.382 -0.192 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CCCCN1C(=O)Cn1cnnn1 1061998092 SAAQJPRAONEFAV-GHMZBOCLSA-N 305.342 -0.670 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H]1CCCCN1C(=O)[C@@H](C)C#N 1062333246 KULJCRIBGLAXJQ-QWHCGFSZSA-N 318.377 -0.217 30 20 DBED C#CCO[C@@H](C)C(=O)NC1(CNC(=O)c2ncn(C)n2)CCC1 1062929295 FUGRREJACFKKFD-NSHDSACASA-N 319.365 -0.378 30 20 DBED N#Cc1ccc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)c2ccc(O)nn2)nn1 1064217025 RZLJNSQHCZPLGR-YKHWKNEFSA-N 323.316 -0.149 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)[C@@H](C)S(C)(=O)=O)CCC1 1064309846 CFJKZOXSXDKTDB-VHSXEESVSA-N 315.395 -0.266 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CN(C(=O)c2ccnc(O)c2)CCO1 1065040494 LNNFXVGBTKYNFF-JQWIXIFHSA-N 318.333 -0.096 30 20 DBED N#Cc1nccnc1N1C[C@H]2C[C@H](NC(=O)C(N)=O)C[C@H]1C2 1065553744 JSXMRXLFEQWIGX-LPEHRKFASA-N 300.322 -0.693 30 20 DBED N#Cc1cnc(NCC2(O)CCN(C(=O)C(N)=O)CC2)c(F)c1 1067484793 AJXSFWMOVXCLDJ-UHFFFAOYSA-N 321.312 -0.657 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@]2(CCCN(C(C)=O)C2)C1 1069693602 BIKCDNBBAYKLQB-MRXNPFEDSA-N 305.378 -0.013 30 20 DBED N#CCN1C[C@H]2C[C@H]3CN(C(=O)C[C@@H]4CCNC4=O)C[C@@]3(C1)O2 1070807984 OOXAFAVLMCMHAB-BCUIYNNISA-N 318.377 -0.662 30 20 DBED N#CCN1CCNC(=O)CCN(C(=O)C[C@H]2CCCOC2)CC1 1071021847 JCWCXVOSOWBDCY-CQSZACIVSA-N 322.409 -0.023 30 20 DBED C[C@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1NC(=O)C#CC1CC1 1071555481 BUEHSIBNBJJTJS-JQWIXIFHSA-N 302.338 -0.950 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2CN(C[C@H](C)O)CCCO2)nn1 1073807381 NRSKMHVCEJAHOE-STQMWFEESA-N 323.397 -0.334 30 20 DBED C[C@H]1CN(C(=O)Cn2ncnn2)CC[C@H]1NC(=O)C#CC1CC1 1073949423 QSYQJCHFXZNBIU-WCQYABFASA-N 316.365 -0.560 30 20 DBED C=CCN1CCO[C@H]2CCN(C(=O)CN3CCOCC3=O)C[C@@H]21 1074265828 BAMLKKOJUHLJCH-KBPBESRZSA-N 323.393 -0.667 30 20 DBED Cn1cc(OCC(=O)N2CC[C@@H]3OCCN(CC#N)[C@H]3C2)cn1 1074321076 DHSBUZMNRFHQSQ-KBPBESRZSA-N 319.365 -0.376 30 20 DBED CNS(=O)(=O)CC(=O)N[C@@H](C)CCNC(=O)C#CC(C)C 1076411660 SLWCJFOMMDJIDL-NSHDSACASA-N 317.411 -0.794 30 20 DBED C[C@@H](CCNC(=O)[C@]1(C)CNC(=O)C1)NC(=O)C#CC1CC1 1077451554 AFZBOAJDMNDEBQ-ZBEGNZNMSA-N 305.378 -0.063 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2c[nH]nc2[C@@H]2CCCO2)C1 1077560691 CAZPWIMFFKNCAQ-UTUOFQBUSA-N 305.338 -0.440 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)NC2CC2)C[C@H]1O 1077694370 OORXFFKDASZJBH-SYQHCUMBSA-N 323.393 -0.983 30 20 DBED CC(=O)Nc1cccc(CC(=O)N[C@@H]2CN(CC#N)C[C@H]2O)c1 1078048619 YZJFZUWXPXUETF-HUUCEWRRSA-N 316.361 -0.128 30 20 DBED CCN(C(=O)Cn1nccn1)C1CN(C(=O)CSCC#N)C1 1079847181 VDLXZISTSWZBFV-UHFFFAOYSA-N 322.394 -0.406 30 20 DBED CC#CCN1C[C@@H](NC(=O)[C@@H]2COCCN2C(C)=O)[C@H](C)C1 1080968730 NPAXVZBMUIVOAA-YUELXQCFSA-N 307.394 -0.307 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)c2[nH]nnc2C)C[C@@H]1O 1081332454 GJBCUWGGULDBKE-MNOVXSKESA-N 307.354 -0.372 30 20 DBED C=CCCC(=O)N1C[C@H](CNC(=O)c2nnn(C)c2C)[C@@H](O)C1 1081362205 GGOVDGIGNBCPNZ-RYUDHWBXSA-N 321.381 -0.361 30 20 DBED Cc1c[nH]nc1C(=O)N1C[C@H](O)[C@H](CNC(=O)C#CC(C)C)C1 1081462548 BPOJAFWWRUNHDK-OLZOCXBDSA-N 318.377 -0.073 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)c2cccnn2)C[C@@H]1O 1081462848 GGPCXKCLKUJDCM-JSGCOSHPSA-N 316.361 -0.315 30 20 DBED CC#CCN1C[C@@H](NC(=O)[C@]2(C)CCC(=O)NC2)[C@H](OC)C1 1082051269 IETDKVXDBXIWLR-XJKCOSOUSA-N 307.394 -0.259 30 20 DBED Cn1ccc(-c2cc(C(=O)N[C@@H]3CN(CC#N)C[C@@H]3O)no2)n1 1083489852 AWJPFGQLKSNZKE-NEPJUHHUSA-N 316.321 -0.626 30 20 DBED N#CCN1C[C@@H](NC(=O)[C@@H]2CNC(=O)N2)CC2(CCOCC2)C1 1089952648 KYSLVZAIKJGUPW-RYUDHWBXSA-N 321.381 -0.821 30 20 DBED N#Cc1ccc(N2C[C@@H]3CCN(C(=O)CNC(N)=O)[C@@H]3C2)nc1 1090288293 IUQQXVVCZSQLPX-NWDGAFQWSA-N 314.349 -0.341 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2cccn3nnnc23)[C@@H](O)C1 1090295172 LWQBPVQVAQESMC-STQMWFEESA-N 314.349 -0.687 30 20 DBED N#CCSCC(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1O 1090394712 PAXVIYCOTRMUNZ-VXGBXAGGSA-N 317.374 -0.124 30 20 DBED COCCn1ccc(C(=O)N[C@H]2CCN(CC#N)C[C@@H]2O)n1 1090424094 WGWRXNQYVAZYRQ-AAEUAGOBSA-N 307.354 -0.782 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2ccoc2CC(N)=O)[C@H](O)C1 1090514503 KASGSJSOWGRDDG-CHWSQXEVSA-N 319.361 -0.504 30 20 DBED Cc1c[nH]c(CC(N)=O)c1C(=O)N[C@@H]1CCN(CC#N)C[C@@H]1O 1090582536 CJMDWWWDHOCWAY-PWSUYJOCSA-N 319.365 -0.961 30 20 DBED COCCC(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1OC 1090853353 HMKYKFZTQUZLDM-VXGBXAGGSA-N 305.338 -0.295 30 20 DBED CCOCCC(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1091089230 WBIUHAPGIRHMCC-NEPJUHHUSA-N 305.338 -0.559 30 20 DBED Cc1cc2[nH]c(=O)c(C(=O)NCC3CC(NCC#N)C3)cn2n1 1091283796 UPFRHQYNFGSQMF-UHFFFAOYSA-N 314.349 -0.047 30 20 DBED COC[C@@H](OC)C(=O)N[C@H]1[C@@H]2CN(c3cncc(C#N)n3)C[C@@H]21 1093346559 XSHDBEIXDSKPMJ-CZXHOFHRSA-N 317.349 -0.440 30 20 DBED CC(C)S(=O)(=O)CC(=O)NCCN=c1cc[nH]cc1C#N 1093645681 QNPZZEABOUQGKG-UHFFFAOYSA-N 310.379 -0.274 30 20 DBED C[C@@H](OC[C@H]1CCCO1)C(=O)NCCN=c1cc[nH]c(C#N)n1 1093692914 JXLZNUOFAJEKJD-VXGBXAGGSA-N 319.365 -0.118 30 20 DBED Cn1cnnc1COCC(=O)NCCNc1nccnc1C#N 1093838284 ZIIQXVBRWUDESW-UHFFFAOYSA-N 316.325 -0.778 30 20 DBED CC(C)N1CCO[C@@H](C(=O)NCCNc2ccc(C#N)nn2)C1 1094082721 BTTKNCVPUMAKJX-CYBMUJFWSA-N 318.381 -0.014 30 20 DBED N#Cc1cnc(NCCNC(=O)[C@H]2CCCCC(=O)N2)cn1 1094113445 UNQPPLGHZXDNQM-LLVKDONJSA-N 302.338 -0.065 30 20 DBED C[C@H](C(=O)NCCNc1cnc(C#N)cn1)[C@H]1CCC(=O)N1 1094133476 QASDXZJWIBNNRQ-GXSJLCMTSA-N 302.338 -0.209 30 20 DBED C[C@H]1C[C@@H]1C(=O)NCCC(=O)NCCN=c1cc[nH]c(C#N)n1 1094192782 BCZGIIBWGNYOTI-QWRGUYRKSA-N 316.365 -0.539 30 20 DBED N#Cc1cnc(NCCCNC(=O)CCN2CCOCC2)cn1 1094492612 SEKRIKPPLYPQIU-UHFFFAOYSA-N 318.381 -0.011 30 20 DBED N#Cc1cnc(NCCCNC(=O)Cn2ncnn2)c(F)c1 1094599234 BPSPGERSUJATQR-UHFFFAOYSA-N 304.289 -0.303 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)c3nn(C)cc3C)CC2=O)C1 1094736185 DWRUQIJYKYUWHW-LBPRGKRZSA-N 315.377 -0.623 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)c3cnoc3CC)CC2=O)C1 1094794615 YJEBAVAFLHEESH-NSHDSACASA-N 316.361 -0.115 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2CC(=O)N(C3CN(CC#N)C3)C2)nc1 1094806758 YYTDMXFGOLWYHI-ZDUSSCGKSA-N 323.356 -0.399 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CCN(c2ccc3nnnn3n2)C1 1096393404 MNUDLEBJAULQEH-WDEREUQCSA-N 317.353 -0.195 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H](CNC(=O)CCNC(N)=O)C1CC1 1096668245 CKVRSWYMXSSHNI-ZDUSSCGKSA-N 316.365 -0.260 30 20 DBED CCC(=O)NCC(=O)N[C@H]1C[C@@H](N=c2cc[nH]c(C#N)n2)C1 1097164911 RSLDENAGPRVZNC-AOOOYVTPSA-N 302.338 -0.645 30 20 DBED C[C@H](CNC(=O)[C@H]1CCCC(=O)N1)N=c1cc[nH]c(C#N)n1 1098118116 VDHMEXZZQJNKFG-NXEZZACHSA-N 302.338 -0.645 30 20 DBED C#CCN(CCO)C1CCN(C(=O)c2cn(C)c(O)n2)CC1 1098467488 GIUQPNNZSBSHLY-UHFFFAOYSA-N 306.366 -0.342 30 20 DBED C[C@H](CCNC(=O)Cn1cnnn1)Nc1nccnc1C#N 1098817935 SFDWLNCUNVQUAB-SECBINFHSA-N 301.314 -0.658 30 20 DBED CN1C[C@H](C(=O)N2C[C@@H](NCC#N)[C@H](C(F)(F)F)C2)CC1=O 1099260099 SIISJNRWNRXTGG-OPRDCNLKSA-N 318.299 -0.033 30 20 DBED C[C@H](CCNC(=O)c1cnc(O)n1C)N=c1cc[nH]c(C#N)n1 1099616711 KLJOVBMFMPHLKB-SECBINFHSA-N 315.337 -0.170 30 20 DBED C[C@H](CCNC(=O)[C@@H]1CN(C)C(=O)N1)N=c1cc[nH]cc1C#N 1099617405 USJIOGFGGYPZMF-MFKMUULPSA-N 316.365 -0.295 30 20 DBED N#CCSCC(=O)N[C@@H]1CCN(CCn2cncn2)C[C@@H]1O 1099686077 ABPUFHQZLCQCBB-NEPJUHHUSA-N 324.410 -0.914 30 20 DBED Cn1cncc1CN1CC[C@H](NC(=O)C#CC2CC2)[C@H](O)C1 1099824839 ZWWSDDJCDHMEQQ-LSDHHAIUSA-N 302.378 -0.115 30 20 DBED C#CCN1CC[C@H](NC(=O)C2(COC)CCOCC2)[C@@H](O)C1 1099865712 BZKZFJOHJJIJOP-KBPBESRZSA-N 310.394 -0.386 30 20 DBED C=CCN1CC[C@@H](NC(=O)CS(=O)(=O)CCCC)[C@@H](O)C1 1100129957 VVORFVWGFWJPIT-OLZOCXBDSA-N 318.439 -0.061 30 20 DBED COCC(=O)N[C@H](C)C(=O)NCCN(C)c1nccnc1C#N 1100378169 GRHCCCZTUHJXPZ-SNVBAGLBSA-N 320.353 -0.948 30 20 DBED CCN(CCNC(=O)c1cnn(C)c1N)c1nccnc1C#N 1100499822 IBIYZWTVYBMONV-UHFFFAOYSA-N 314.353 -0.080 30 20 DBED CNC(=O)CC(=O)NC[C@@H]1CCCN1c1ccnc(C#N)n1 1100815774 HVPYTJFFTXATRB-JTQLQIEISA-N 302.338 -0.431 30 20 DBED C=CCOCCNC1CC(CNC(=O)CN2C(=O)CNC2=O)C1 1100956058 MZPVQNMGXHQKEL-UHFFFAOYSA-N 324.381 -0.775 30 20 DBED CN(CCNc1ccc(C#N)nn1)C(=O)[C@@H]1CCC(=O)N1C 1101895351 LTTTXGSKKYHEDM-NSHDSACASA-N 302.338 -0.161 30 20 DBED CCC(=O)NCC(=O)N(C)[C@H]1CCN(c2ccnc(C#N)n2)C1 1102701722 HIPGUZOJHPONFK-NSHDSACASA-N 316.365 -0.088 30 20 DBED CC[C@H](CNC(=O)Cn1ncnn1)N=c1cc[nH]cc1C#N 1103208224 XKZFMDQQQCISTQ-LLVKDONJSA-N 300.326 -0.631 30 20 DBED C[C@@H](CNC(=O)Cn1cnnn1)CNc1ccc(C#N)cn1 1103853417 DUCRVSXHDSCVDL-SNVBAGLBSA-N 300.326 -0.196 30 20 DBED CC(=O)N(C)CC(=O)NC[C@H](C)CNc1cnc(C#N)cn1 1103876764 VGOSBZJDUYSOKX-SNVBAGLBSA-N 304.354 -0.009 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)C[C@@H]1CCNC1=O 1104108832 RSOBPIGGGQMQPQ-MNOVXSKESA-N 316.365 -0.539 30 20 DBED C[C@H](CNC(=O)[C@@H]1CCN(C)C1=O)CNc1cncc(C#N)n1 1104159032 HWHRLPIODPPDTR-JQWIXIFHSA-N 316.365 -0.009 30 20 DBED C[C@@H](CNc1cnc(C#N)cn1)N(C)C(=O)[C@@H]1COCCN1C 1104526807 HSGZRLOBOYROBO-AAEUAGOBSA-N 318.381 -0.062 30 20 DBED C#CCNC(=O)CNCC[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1C 1104810370 OJOJRDRYXSQJGP-VXGBXAGGSA-N 318.381 -0.758 30 20 DBED C=CCNCc1cn(C2CN(C(=O)[C@@H]3COCCO3)C2)nn1 1105165182 OFRBMSWFHMZQMN-ZDUSSCGKSA-N 307.354 -0.648 30 20 DBED CC(C)[C@@H](CNC(=O)[C@H](C)NC(N)=O)N=c1cc[nH]c(C#N)n1 1105178334 WDOFHRQEHOPHRU-VHSXEESVSA-N 319.369 -0.620 30 20 DBED C#CCNCc1cn(C2CN(C(=O)[C@H](C)OCC=C)C2)nn1 1105381355 XWOKARBIDSWWJM-LBPRGKRZSA-N 303.366 -0.025 30 20 DBED Cc1cn(C)nc1C(=O)NC[C@@H](O)CNc1cncc(C#N)n1 1105818978 SEUAPCXGPWGSMR-NSHDSACASA-N 315.337 -0.407 30 20 DBED C[C@@H](C(=O)NC[C@@H](O)CNc1ccc(C#N)cn1)n1cncn1 1105828376 GKNXYDCXGIOHCP-JQWIXIFHSA-N 315.337 -0.305 30 20 DBED CC(C)[C@H](C(=O)NC[C@H](O)CNc1nccnc1C#N)N(C)C 1105918163 YUKCFZALZYJDCT-DGCLKSJQSA-N 320.397 -0.177 30 20 DBED COC[C@@H](C)CC(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1 1105941161 RVEFXWZEOKFVCE-WDEREUQCSA-N 307.354 -0.668 30 20 DBED COC[C@H](OC)C(=O)NC[C@H](O)CNc1ccc(C#N)nc1 1106087253 NFVHDWWHRJRQBA-OLZOCXBDSA-N 308.338 -0.496 30 20 DBED COC[C@@H](OC)C(=O)NC[C@@H](O)CNc1ccc(C#N)c(C)n1 1106087304 NYRDEVMAPWTDJC-QWHCGFSZSA-N 322.365 -0.188 30 20 DBED Cc1cc(=NC[C@H](O)CNC(=O)[C@H]2OCC[C@H]2C)c(C#N)c[nH]1 1106122055 QIUCVRCHVBQJAB-DGFSRKRXSA-N 318.377 -0.002 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H](C)CCNc1ccc2nnnn2n1 1106443192 TWIJRHZMUHWLIZ-MNOVXSKESA-N 317.353 -0.136 30 20 DBED C[C@H](CCNc1cnc(C#N)cn1)NC(=O)Cn1nccn1 1106460286 KKAYROOUWANIBA-SNVBAGLBSA-N 300.326 -0.053 30 20 DBED C[C@]1(C(=O)NC/C=C\CN=c2cc[nH]c(C#N)n2)CNC(=O)C1 1107422480 SFMZWFNOESQKNF-MPNWYJEXSA-N 314.349 -0.619 30 20 DBED C=CCOCC(=O)NC[C@@]1(C)CN(Cc2cnn(C)n2)CCO1 1107812247 ZNCPEPPGJLBPBQ-HNNXBMFYSA-N 323.397 -0.275 30 20 DBED C#CCCN1CCO[C@@](C)(CNC(=O)[C@@H]2COCCN2C)C1 1107883401 SMXADOJNVWQZLL-HOCLYGCPSA-N 309.410 -0.453 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)CNC(=O)C1CC1 1108264236 AFCOTZYFDTUCQZ-VIFPVBQESA-N 302.338 -0.787 30 20 DBED C=C(C)CN1CC(N2C[C@H](NC(=O)CNC(=O)OC)CC2=O)C1 1108511447 RQZMSDODKFPIFW-LLVKDONJSA-N 324.381 -0.680 30 20 DBED C=CCCC(=O)N[C@H]1CC(=O)N(C2CN([C@@H](CC)C(N)=O)C2)C1 1108520729 ZJHDHXQWNKQSKS-AAEUAGOBSA-N 322.409 -0.382 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)CC3(OC)CCC3)CC2=O)C1 1108541334 UBUJXSRVTUYCEU-CYBMUJFWSA-N 319.405 -0.020 30 20 DBED COCC#CCN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1cncn1)C2 1108815021 WMIYKEYVZWBHLM-KKUMJFAQSA-N 317.393 -0.103 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)CN(C)c1nccc(OC)n1 1108940673 HEDNZKMHGXMPEF-LLVKDONJSA-N 319.365 -0.434 30 20 DBED CN(CCCN=c1cc[nH]c(C#N)n1)C(=O)[C@H]1CC[C@@H]1C(N)=O 1109580063 MZGOKAASCDERKF-QWRGUYRKSA-N 316.365 -0.458 30 20 DBED CC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCCS(N)(=O)=O 1109660020 RIYWOEOTFSQIOS-AGIUHOORSA-N 313.423 -0.200 30 20 DBED Cn1nnc2c(N3C[C@H]4C[C@H]3[C@@H]4NC(=O)C#CC3CC3)ncnc21 1109701081 JOSMMKDUIYOTNH-NTZNESFSSA-N 323.360 -0.135 30 20 DBED N#Cc1nccnc1NC1(CNC(=O)C(=O)NCC2CC2)CC1 1110210313 QHLAUUVRDUYOHT-UHFFFAOYSA-N 314.349 -0.065 30 20 DBED CC[C@@H](OC)C(=O)NC[C@@]1(O)CCN(c2ccnc(C#N)n2)C1 1111043314 CLHMBYLTLLLKGC-ABAIWWIYSA-N 319.365 -0.169 30 20 DBED C[C@@H](C#N)C(=O)N[C@]1(CO)CCCN(c2ccnc(C#N)n2)C1 1111343145 NLEPTJBSOJXIGY-XHDPSFHLSA-N 314.349 -0.045 30 20 DBED COC[C@@H](C)C(=O)N(CCO)CCNc1ccc(C#N)nn1 1111438335 STIRLKABHNWFTF-LLVKDONJSA-N 307.354 -0.136 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)CCn2cccn2)CC1 1112613195 LQCFRNZJPLZJNS-UHFFFAOYSA-N 304.354 -0.943 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)[C@@H](C)n2cncn2)CC1 1112770726 XDVMYGPBYLGXMZ-QWHCGFSZSA-N 320.397 -0.326 30 20 DBED CNC(=O)CC(=O)N1CCC[C@@H]1CN(C)c1nccnc1C#N 1112790377 HICOHACKYIFLQF-LLVKDONJSA-N 316.365 -0.088 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)Cc2ncc[nH]2)CC1 1113455353 CFRPPQVGYNIKKK-GFCCVEGCSA-N 305.382 -0.213 30 20 DBED C[C@@H](CNC(=O)CS(C)(=O)=O)N(C)c1ccncc1C#N 1113521077 NRSYWVHVZVKKAR-JTQLQIEISA-N 310.379 -0.061 30 20 DBED Cc1cc(C#N)nc(N(C)[C@@H](C)CNC(=O)[C@@H]2CCC(=O)N2)n1 1113672186 GOBSPAUBIJXHPY-JQWIXIFHSA-N 316.365 -0.124 30 20 DBED Cc1cc(C#N)nc(N(C)[C@H](C)CNC(=O)[C@@H]2CCNC2=O)n1 1113802933 XQROCCYXRKOWMM-ZYHUDNBSSA-N 316.365 -0.266 30 20 DBED C=CCOCC(=O)N[C@H]1[C@@H]2CN([C@H](C)c3nnnn3C)C[C@@H]21 1114047790 MZCXCECUHJDWRI-DCQANWLSSA-N 306.370 -0.480 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)[C@H](C)n3cccc3)[C@@H]2C1 1114143404 NZAVTCWKRJVHSI-BFHYXJOUSA-N 314.389 -0.155 30 20 DBED Cn1[nH]c(CN2C[C@@H]3C(NC(=O)C#CC4CC4)[C@H]3C2)nc1=O 1114253721 TYYRCWAQDKOMAG-QWRGUYRKSA-N 301.350 -0.932 30 20 DBED N#Cc1ccc(N2C[C@H]3[C@H](CNC(=O)CC(N)=O)[C@H]3C2)nn1 1114547346 UDUQEVUJHWHCDG-RTCCRHLQSA-N 300.322 -0.978 30 20 DBED C#Cc1ccc(C(=O)NC2[C@@H]3CN(CC(=O)NCC)C[C@@H]23)nc1 1115139927 NMDHLEPMHRMXJE-CHWSQXEVSA-N 312.373 -0.141 30 20 DBED C=C(C)COCCNC(=O)C(=O)N1C[C@H](C)O[C@@H](CO)C1 1117605699 RUUKCHJBGCQEFS-NWDGAFQWSA-N 300.355 -0.697 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N1CCC[C@@H](n2ccnn2)C1 1118176332 OODYUIOFXNLBCC-NWDGAFQWSA-N 307.354 -0.241 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)C[C@@H]2CCCO2)nn1 1121099366 GERPMOZTOSTTTH-RYUDHWBXSA-N 305.338 -0.194 30 20 DBED Cc1cc(C(=O)NC[C@@H](CO)Nc2ccc(C#N)nn2)n(C)n1 1121149902 DEJFAHDNNDPBSW-NSHDSACASA-N 315.337 -0.407 30 20 DBED Cn1nccc1C(=O)NC[C@@H](CO)Nc1cncc(C#N)n1 1121177398 LJPZWVAJBOEHAC-JTQLQIEISA-N 301.310 -0.715 30 20 DBED Cc1cc(=N[C@H](CO)CNC(=O)C2=CCOCC2)c(C#N)c[nH]1 1121338690 AURFBXULNUAIGN-AWEZNQCLSA-N 316.361 -0.081 30 20 DBED C[C@@](O)(CC(=O)NC[C@H](CO)Nc1cnc(C#N)cn1)C1CC1 1121338697 AZXFRSJUXLHSPB-IUODEOHRSA-N 319.365 -0.212 30 20 DBED COCC#CCNC1CC2(C1)CC(NC(=O)[C@@H]1CCNC1=O)C2 1121516859 QSFVDSNAGVDGHL-OPFKTAGGSA-N 319.405 -0.211 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)Cn2nccn2)nc1 1122098247 NAKFFOHFKGXLPO-LLVKDONJSA-N 301.310 -0.866 30 20 DBED CC(=O)NCC(=O)N1CC[C@H](N=c2cc[nH]cc2C#N)[C@H]1C 1122904318 RQONPZVQAPPYIY-MFKMUULPSA-N 301.350 -0.087 30 20 DBED Cc1nc(NC[C@@H](O)CN(C)C(=O)[C@H](C)C#N)nc(N(C)C)n1 1124190226 FEKDJGVGGSLKMM-MWLCHTKSSA-N 321.385 -0.363 30 20 DBED C[C@@H](C#N)C(=O)NCCNCC(=O)NC(=O)NCC(F)(F)F 1124909025 XXIGVMFDAKQKBC-ZETCQYMHSA-N 323.275 -0.760 30 20 DBED CNC(=O)[C@H](C)N1CCn2ncc(CNC(=O)[C@@H](C)C#N)c2C1 1128265194 VTICTRNDBCCTKT-QWRGUYRKSA-N 318.381 -0.391 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1ccnn1[C@H](C)CC 1128445608 WZMYBQZSWMVISJ-GFCCVEGCSA-N 305.382 -0.077 30 20 DBED C[C@H]1CC[C@H](NC(=O)C#CC2CC2)CN1CC(=O)NC(N)=O 1132034577 SQFSZAIDMRFICT-JQWIXIFHSA-N 306.366 -0.436 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)Cc1c(C)nn(C)c1C 1132047861 ZRIKKKYGOBTPAF-GFCCVEGCSA-N 319.409 -0.577 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)CNC(=O)C1CC1 1133772814 CJXDQYDEQUQVOO-RYUDHWBXSA-N 322.409 -0.865 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)CC(=O)NCC 1134143868 TVJSIHXVYAROLK-RYUDHWBXSA-N 310.398 -0.865 30 20 DBED C=CCn1cc(C(=O)NCCNCC(=O)N(CC)CC)nn1 1134969490 HOPCHJJHMZKQMM-UHFFFAOYSA-N 308.386 -0.348 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)CCNC(=O)C1CCC1 1135201661 KCJSDIMSKHYOPJ-GFCCVEGCSA-N 322.409 -0.864 30 20 DBED C#CCOc1ncccc1C(=O)NCCNCc1nc(O)n[nH]1 1148302470 NIFBEBLKDKINAR-UHFFFAOYSA-N 316.321 -0.563 30 20 DBED CC#CCN1CCCO[C@@H](CNC(=O)CCn2cncn2)C1 1149188826 KRXNPZOEWNBYJU-AWEZNQCLSA-N 305.382 -0.101 30 20 DBED C#CCN1CCC(CCOC)(NC(=O)Cn2cnnn2)CC1 1150924831 RTRKPQVFNMZTTR-UHFFFAOYSA-N 306.370 -0.706 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)[C@H](C)CCOC 1151499204 YSVMTRLSWXCGNT-LLVKDONJSA-N 314.386 -0.623 30 20 DBED C#CCN1CCC(C(=O)NCCNCc2cn(CC)nn2)CC1 1152330227 JKZWGEQFFLBQDK-UHFFFAOYSA-N 318.425 -0.151 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H](C(C)C)N1CCCC1 1152474062 ZDWXNXPHUMYQIL-HUUCEWRRSA-N 322.453 -0.050 30 20 DBED C[C@H](Oc1cccnc1)C(=O)NCCCNCC(=O)NCC#N 1166350159 HILFFBQFZYREQT-LBPRGKRZSA-N 319.365 -0.415 30 20 DBED Cc1cncn1CC(=O)N1CC[C@H](NCC(=O)NCC#N)[C@@H]1C 1179149758 DLQXHYLLQYFDGL-STQMWFEESA-N 318.381 -0.590 30 20 DBED CC#CCNC[C@]1(C)CN(C(=O)Cn2ncn(C)c2=O)C[C@H]1C 1181951872 LOXWTMQLSJNVDE-CZUORRHYSA-N 319.409 -0.321 30 20 DBED CC#CCCCC(=O)N1CC[C@@H](NCCNS(C)(=O)=O)C1 1185034559 CPXPUYSBTJYFEX-CYBMUJFWSA-N 315.439 -0.080 30 20 DBED C#CCNC[C@H]1CN(C(=O)[C@@H]2CNC(=O)N2)CC12CCOCC2 1186464337 KJPHGTLFDCKUCL-STQMWFEESA-N 320.393 -0.854 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)[C@@H]2CCCN2C(N)=O)C1 1188405592 SIPRTWUSWBDYPS-OLZOCXBDSA-N 308.382 -0.630 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@@H](N(C)Cc2cnnn2C)C1 1190093930 FCLZYGYJYKAZOF-QWHCGFSZSA-N 305.382 -0.114 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](N(C)CC(=O)NC(=O)NC)C1 1190128664 NUWCVIFRECBDOC-GFCCVEGCSA-N 324.381 -0.985 30 20 DBED C#CCN(C)[C@@H]1CCN(C(=O)[C@@H](C)NS(=O)(=O)CC)C1 1190288665 BKNMEFAYISSLLM-VXGBXAGGSA-N 301.412 -0.520 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)c2cn(C)nc2C)C1 1191807018 HJGVUYYPKPAVNP-ZIAGYGMSSA-N 306.366 -0.847 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(Cc2ncnn2CC)C[C@H]1O 1192531554 XVPHPBYWYQHSNA-LALPHHSUSA-N 323.397 -0.714 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)CCc2ccc(C(N)=O)cc2)C1 1194673746 WDHPGTCCDJZEMW-HUUCEWRRSA-N 315.373 -0.487 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)CO[C@H]2CCOC2)CC1 1195807367 UKGRLIFCHONVER-AWEZNQCLSA-N 323.393 -0.924 30 20 DBED N#CCNC(=O)CN1CCCN(C(=O)COCC(F)F)CC1 1196619800 MRAPNADTAFKXQJ-UHFFFAOYSA-N 318.324 -0.558 30 20 DBED C=CC[C@H](C(=O)N[C@@H]1CN(CC(N)=O)C[C@H]1O)c1ccccc1 1198896273 ANUYLURHBZMLCH-RRFJBIMHSA-N 317.389 -0.007 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)[C@H]2C[C@@H]2C(=O)OC)CC1 1199667733 OSJXQGIMUAFVFO-STQMWFEESA-N 323.393 -0.322 30 20 DBED C=C(Cl)CNC[C@@H]1CN(C(=O)CNC(N)=O)CCCO1 1199810117 HXVGGXWAHRYQGR-SNVBAGLBSA-N 304.778 -0.386 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@H](C2CC2)N(C)C)C1 1208334139 FZWVMBGGXJLMMO-ZBFHGGJFSA-N 320.437 -0.343 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)CCn2ccnc2)C1 1208849017 OIVWWBTWAWBUTM-CQSZACIVSA-N 317.393 -0.397 30 20 DBED Cc1nccn1CC(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1211038371 ILJFAQGSZSUDPG-DGCLKSJQSA-N 318.381 -0.732 30 20 DBED C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1N[C@@H]1CCCNC1=O 1214169856 GSHDGFLKFOPJJF-IJLUTSLNSA-N 310.423 -0.042 30 20 DBED C[C@@H]1CN(C(=O)[C@H]2CCCCN2C)C[C@H]1NCC(=O)NCC#N 1214969363 PGCLILCMGLZKCK-MGPQQGTHSA-N 321.425 -0.453 30 20 DBED C=CCOCC(=O)N1CCO[C@@H]2CN([C@H]3CCCNC3=O)C[C@@H]21 1217533090 RFIYQDOUQCCBNX-MELADBBJSA-N 323.393 -0.621 30 20 DBED COCC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CC1(O)CCC1 1217835609 XXDJYEIWZDVVQZ-LSDHHAIUSA-N 322.405 -0.147 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(CC(=O)NCCC)C[C@@H]1O 1219536771 YVQDNRKELRAMRQ-TYNCELHUSA-N 313.398 -0.999 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)[C@@H](C2CC2)N(C)C)C1 1219803772 FLQUBNIRKXNFPY-QLFBSQMISA-N 311.426 -0.310 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)c2cnc3n2CCC3)C1 1219821617 TXLDORWEOLLKRB-OCCSQVGLSA-N 318.377 -0.746 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)C(=O)NCC(F)(F)F)C1 1220632597 DORPYBSXCCDAOR-BDAKNGLRSA-N 309.288 -0.598 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)c2cnn(CCCOC)c2)C1 1220710615 VKNGYIHZZJHOLQ-CABCVRRESA-N 320.393 -0.282 30 20 DBED C#CCCCC(=O)N1C[C@H]2CCN(Cc3nc(=O)n(C)[nH]3)C[C@H]21 1221514232 OJLRAAFQQOENQQ-CHWSQXEVSA-N 317.393 -0.055 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCC(CNC(=O)CC(N)=O)CC1 1222701189 QXFURYFCTMEMTI-LLVKDONJSA-N 310.398 -0.619 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)[C@H]2C[C@H]2C(=O)OC)CC1 1226472137 YEAPFWUBOGNRGE-QWHCGFSZSA-N 323.393 -0.322 30 20 DBED C#CCNC(=O)CC(=O)NC1CCN(Cc2ccn(C)n2)CC1 1226961646 JICTZVIJSXACSR-UHFFFAOYSA-N 317.393 -0.360 30 20 DBED CN(C[C@@H]1CCN1CC(=O)NCC#N)C(=O)c1cncs1 1230907131 JPPYLCDDQWNAST-JTQLQIEISA-N 307.379 -0.071 30 20 DBED C=CCOCC(=O)N(C)C[C@@H]1CCN1C[C@H](O)Cn1cccn1 1231169395 HAQPSVXPJHVGKU-GJZGRUSLSA-N 322.409 -0.021 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)CCCNC(=O)CNC(=O)C1CC1 1234398838 ZXHMNYARJKENOJ-GFCCVEGCSA-N 322.409 -0.911 30 20 DBED C=CCN(C(=O)[C@@H](C)S(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1251870975 YCTVINGEUKYDTJ-ZJUUUORDSA-N 309.409 -0.379 30 20 DBED N#CCNC(=O)CNC(=O)CCS(=O)(=O)C1CCCC1 1258173549 UPQGZJZKMZBWSR-UHFFFAOYSA-N 301.368 -0.510 30 20 DBED C#CCN1CCN(c2nnc(C3CC(O)C3)n2CCOC)CC1 1263249577 IBZGUCSQQIFGPF-UHFFFAOYSA-N 319.409 -0.082 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N1CCC(OCCO)CC1 1320014726 UWAKVZMCSRXCFS-UHFFFAOYSA-N 320.411 -0.230 30 20 DBED CN1C[C@H](NC(=O)C(=O)Nc2ccn(CCC#N)n2)CC1=O 1322449187 KVGWALQCJHPMAO-SECBINFHSA-N 304.310 -0.918 30 20 DBED C#CCOCCNC(=O)C(=O)N1[C@H]2CC[C@H]1CN(CC)CC2 1322966362 FSGBOBDUHSOWAO-KBPBESRZSA-N 307.394 -0.162 30 20 DBED C=CCn1cc(CNC(=O)NC[C@H](CO)[C@@H]2CCOC2)nn1 1326679244 HWFWBANVIBQACG-VXGBXAGGSA-N 309.370 -0.092 30 20 DBED C=C(CC)CNC(=O)C(=O)N1CCN(S(C)(=O)=O)CC1 1328943157 RKECUBCUVQHRCB-UHFFFAOYSA-N 303.384 -0.827 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CCC3(C2)OCCO3)nn1 1332057991 GGZUBNGWWSJBCB-UHFFFAOYSA-N 321.337 -0.944 30 20 DBED C#CCN(C(=O)C(=O)N[C@H]1CCN(C(=O)NCC)C1)C(C)C 1334259098 WSYMLAYPJCICNH-LBPRGKRZSA-N 308.382 -0.223 30 20 DBED CC(=O)N1CCN(C(=O)C(=O)N2CCC[C@@H](C#N)C2)[C@H](C)C1 1336339059 ZGDPXYCVLQLZMJ-YPMHNXCESA-N 306.366 -0.172 30 20 DBED CNC(=O)Cn1cc(NC(=O)C(=O)N(CCC#N)C(C)C)cn1 1338631517 NBXKZAJMAZEPQW-UHFFFAOYSA-N 320.353 -0.282 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NC 1348047441 MYQNCAYNNVXHFV-STQMWFEESA-N 303.366 -0.719 30 20 DBED C=C[C@@](C)(O)C(=O)NC1CCN(CCS(C)(=O)=O)CC1 1350673749 JESNAUHPJQFKHJ-CYBMUJFWSA-N 304.412 -0.451 30 20 DBED C=CCN1CC[C@@H](OC(=O)[C@]2(OC)CCS(=O)(=O)C2)C1=O 1353348993 PYCMOCDNGMYIRP-MFKMUULPSA-N 317.363 -0.480 30 20 DBED N#Cc1cc(Br)ccc1C(=O)N[C@@H](CO)C(N)=O 1362659616 DYEYUQKBFXBGPG-VIFPVBQESA-N 312.123 -0.103 30 20 DBED C[C@@H](C(=O)N1CCC(NC(=O)N(C)C)CC1)n1cnc(C#N)n1 1363299369 QGOZMTCGWHIETF-JTQLQIEISA-N 319.369 -0.027 30 20 DBED NC1=CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)N1 1364871937 RQLNBVSANOAWAY-UHFFFAOYSA-N 321.362 -0.738 30 20 DBED C[C@H](C#N)C(=O)NCC1(NCC(=O)NC[C@@H]2CCCO2)CC1 1367988457 DHBSJKYXIHGWJY-NEPJUHHUSA-N 308.382 -0.320 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1C[C@@H](NC(=O)CCS(C)(=O)=O)C1 1371702130 DIFKHYYNHXALRO-GARJFASQSA-N 315.395 -0.408 30 20 DBED COC1CC(C(=O)N2CCN(CCNC(=O)[C@@H](C)C#N)CC2)C1 1372219306 MGMJSLZYTLPMCU-HSBZDZAISA-N 322.409 -0.169 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](CNC(=O)c1cnn(C)c1N)C1CC1 1372384393 UQVJXSUXHODPMT-GZMMTYOYSA-N 304.354 -0.213 30 20 DBED C[C@H](C#N)C(=O)NCCN1CCN(Cc2cnns2)CC1 1376081674 PUMRMNDRVXCPPR-LLVKDONJSA-N 308.411 -0.068 30 20 DBED COc1cc(C)cnc1C(=O)NC[C@@H](O)CNC(=O)[C@H](C)C#N 1376641936 NTLHOITZBKRURB-MNOVXSKESA-N 320.349 -0.235 30 20 DBED C[C@@H](CN(C)C(=O)[C@H]1CCC(=O)N1)NC(=O)c1cc(C#N)c[nH]1 1381911612 BZWOERCUKLOSJL-GXSJLCMTSA-N 317.349 -0.258 30 20 DBED CC(=O)N(C)CC(=O)N(C)[C@H](CNC(=O)[C@H](C)C#N)C1CC1 1383586236 FXFPGEGWBSYZRO-ZWNOBZJWSA-N 308.382 -0.022 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC(NC(=O)CCCC(N)=O)C2)c1 1389272458 CIIQALAJYUGFBS-UHFFFAOYSA-N 303.322 -0.517 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(Cc2noc(C3CC3)n2)C1 1393300724 GGXVOSKRMIWFPY-SECBINFHSA-N 305.338 -0.230 30 20 DBED COCCn1cc(C(=O)NC[C@@H](C)NC(=O)[C@H](C)C#N)cn1 1410279763 QRSWBOGXPTZPLI-GHMZBOCLSA-N 307.354 -0.076 30 20 DBED C[C@H](CNC(=O)c1cc(C#N)c[nH]1)N(C)C(=O)c1cnn[nH]1 1411523516 NUIUJLOMOYMBGH-MRVPVSSYSA-N 301.310 -0.105 30 20 DBED C[C@@H](C#N)C(=O)N(C)C1CCN(C(=O)[C@@H]2COC(=O)N2)CC1 1412278229 DVIRHRFVBOJBNK-ONGXEEELSA-N 308.338 -0.296 30 20 DBED CNS(=O)(=O)[C@H]1CCN(S(=O)(=O)CC2(CC#N)CC2)C1 1413317841 IIRRVZFRETZVAI-JTQLQIEISA-N 321.424 -0.366 30 20 DBED C[C@@H](C#N)C(=O)NC1CN(C(=O)C2(S(C)(=O)=O)CCC2)C1 1416047937 VMEWEBQIUYYOPK-VIFPVBQESA-N 313.379 -0.560 30 20 DBED C[C@@H](O)CCCN1CC(O)(CNC(=O)c2cc(C#N)c[nH]2)C1 1421427738 QGPPJNQYLARJIR-LLVKDONJSA-N 306.366 -0.176 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1cnn2c1OCCC2 1433316132 CQBUTTRNTUTPFR-UWVGGRQHSA-N 321.337 -0.968 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)CCc1ncccn1 1433330843 KQWIAPXBFVBQGO-GHMZBOCLSA-N 305.338 -0.838 30 20 DBED C[C@@H]1CCNC(=O)[C@@H]1NCc1cc(O)n2ncc(C#N)c2n1 1434465202 APZRQXRIFCCOMU-PRHODGIISA-N 300.322 -0.079 30 20 DBED COC[C@H](CS(=O)(=O)NCC1(C#N)CCOCC1)OC 1434658150 NQUUMOWTMLBNPF-LLVKDONJSA-N 306.384 -0.112 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1C[C@@H](NC(=O)CCN2CCOCC2)C1 1452982360 YTLFVZWVHCXMNH-MCIONIFRSA-N 322.409 -0.121 30 20 DBED COCCN(CCNC(=O)c1cnc(O)n1C)C(=O)[C@H](C)C#N 1488541469 ZUXYERXAZQDKLF-SNVBAGLBSA-N 323.353 -0.510 30 20 DBED Cc1c(C(=O)N[C@@H]2CN(C(=O)O)C[C@H]2CO)cnn1CCC#N 1574114830 ZWDYXBJZXGMEEB-CMPLNLGQSA-N 321.337 -0.194 30 20 DBED N#C[C@H]1COCCN1C[C@H](O)CC1(O)CCC(C(=O)O)CC1 1574242360 UWDCZOLRYSIFJJ-SBEAFCBVSA-N 312.366 -0.032 30 20 DBED C[C@@H](O)[C@H](N)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 1576817173 YXFNCWAYHWHBLC-FOGDFJRCSA-N 304.354 -0.907 30 20 DBED N#Cc1c(-c2nn[nH]n2)nc(N)n1C[C@@H]1CCCS(=O)(=O)C1 1581860714 PFVHPOHNFNBOBO-ZETCQYMHSA-N 322.354 -0.658 30 20 DBED C=CCOC[C@@H](NC(=O)CCCn1c(O)nnc1O)C(=O)O 1588854320 VXZKPLDTFSUKBX-MRVPVSSYSA-N 314.298 -0.759 30 20 DBED C[C@H](NC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C1CN(CC#N)C1 1589943562 WEKFVJDMGJTHFS-QMMMGPOBSA-N 300.326 -0.232 30 20 DBED Cc1cc(-c2nn[nH]n2)nc(NCCNC(=O)[C@@H](C)C#N)n1 1591900158 MZDRKQGSPMJOMZ-ZETCQYMHSA-N 301.314 -0.347 30 20 DBED CN1CC(=O)N(CCCC(=O)N(CC#N)CCC(=O)O)C1=O 1598559624 YODHZUVKAIFYDE-UHFFFAOYSA-N 310.310 -0.513 30 20 DBED C#CCN(C(=O)NCCn1cnc(-c2nn[nH]n2)n1)C1CC1 1602714246 NQWYJNOTALKMAL-UHFFFAOYSA-N 301.314 -0.735 30 20 DBED C=C(C)C(C)(C)C(=O)N1CC(O)(CNC(=O)[C@H]2C[C@@H]2C(=O)O)C1 1602744861 PFUMHCLGGXGYAA-QWRGUYRKSA-N 324.377 -0.001 30 20 DBED C=C[C@@H]1OCC[C@H]1Cn1nnnc1N1CC[C@@](OC)(C(=O)O)C1 1602942246 XJEMBYJRMHCCQD-MJVIPROJSA-N 323.353 -0.056 30 20 DBED Cn1c(N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)O)c(C#N)c(=O)n(C)c1=O 1610598227 DWLRVEUIMCHAID-ATZCPNFKSA-N 318.333 -0.355 30 20 DBED N#C[C@H]1CN(S(=O)(=O)N2CCC[C@H]2CC(=O)O)CCO1 1610620258 DCDGUSQIQCASJR-UWVGGRQHSA-N 303.340 -0.605 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H](C)CCNC(=O)c1cc[n+]([O-])cc1 1674164993 ZMGRMVFEUALRQN-QWHCGFSZSA-N 318.377 -0.444 30 20 DBED C=CCNC(=O)CN1CCN(CCNC(=O)C(C)(F)F)CC1 1752359932 GUGBATNCNGNPHE-UHFFFAOYSA-N 318.368 -0.322 30 20 DBED C=CCOCC(=O)NC[C@@H]1CCCN1CCN1C(=O)CNC1=O 1753097497 PTGFKPNDXSMKKY-LBPRGKRZSA-N 324.381 -0.679 30 20 DBED C#CCNC(=O)CN(C)C[C@@H]1CCN(C(=O)c2nc(C)c[nH]2)C1 1753359967 MUFHYDNWBWBQDQ-ZDUSSCGKSA-N 317.393 -0.139 30 20 DBED C#Cc1ccc(C(=O)NC[C@H](O)CNCC(=O)NC(C)C)cn1 1753934057 RZLWWMGZTPAFSU-CQSZACIVSA-N 318.377 -0.732 30 20 DBED C#CCNC(=O)CN(C)C[C@@H](C)NC(=O)c1cccc(O)n1 1754305838 QFBUMMIMVUTFPV-LLVKDONJSA-N 304.350 -0.413 30 20 DBED C#CCN1CC(O)(CNC(=O)COCc2ccc(OC)nc2)C1 1754770025 VAWFTLNYSNPBNZ-UHFFFAOYSA-N 319.361 -0.597 30 20 DBED CC#CCN[C@]1(CO)CCCN(C(=O)CS(=O)(=O)CC)C1 1755091752 OTRPZSBRHKVBTE-CQSZACIVSA-N 316.423 -0.613 30 20 DBED C[C@H](NC(=O)C[C@](C)(O)C1CC1)C1CN(CC(=O)NCC#N)C1 1755373433 JZFRYPNXCCGORO-ZBEGNZNMSA-N 322.409 -0.386 30 20 DBED CCOCCC(=O)NC[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@H]12 1755418837 ZQMYAHPDCJXQBJ-XYYAHUGASA-N 308.382 -0.653 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(CNC(=O)c3[nH]cnc3C)[C@H]2C1 1755435147 AUULXXKZSPTCCQ-CHWSQXEVSA-N 317.393 -0.072 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@H](O)CN(C)C(=O)C1(C)CC=CC1 1755787063 PJCDZHBEFTZFAU-KBPBESRZSA-N 321.421 -0.111 30 20 DBED C=CCCOCC(=O)NC[C@@H](C)N(C)C(=O)c1cnn(C)n1 1756038504 WEJZACVGENADLJ-LLVKDONJSA-N 309.370 -0.016 30 20 DBED C[C@H](CCCNC(=O)C1(NC(N)=O)CC1)NC(=O)[C@H](C)C#N 1756341720 NQSLEVMSTZZYHU-NXEZZACHSA-N 309.370 -0.252 30 20 DBED CNC(=O)C1(C(=O)N2C[C@@H](NC(=O)[C@@H](C)C#N)[C@H](C)C2)CC1 1757100774 HCBGCILJKXJYCO-HBNTYKKESA-N 306.366 -0.365 30 20 DBED N#CCOc1ccc(NC(=O)c2cn(CC(N)=O)nn2)cc1 1771608950 HNVLDJOACWNIGR-UHFFFAOYSA-N 300.278 -0.082 30 20 DBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)O)C2)C1 1783516426 LBODRLQZUYPEHS-WOSRLPQWSA-N 324.377 -0.765 30 20 DBED N#CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccno1)C2 1795077991 HKRXCLSAYXJMMX-DDFAGTSDSA-N 304.306 -0.209 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)NC(=O)CC)C2 1800450401 GDLDLFYZEFGMHA-MCYUEQNJSA-N 321.377 -0.876 30 20 DBED C[C@H](NC=O)C(=O)N1CC2(CCCN2C(=O)C2(C#N)CC2)C1 1842808404 CMSZBUGXFCGDHG-NSHDSACASA-N 304.350 -0.372 30 20 DBED C#CCCC(=O)N1CC2(CCCN2C(=O)[C@@H]2C[C@H](O)CN2)C1 1845067372 NGJDIWGDLRSVBA-STQMWFEESA-N 305.378 -0.674 30 20 DBED COC[C@@H](C)C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846194672 CZIPFFJUTLJJFX-LLVKDONJSA-N 308.334 -0.440 30 20 DBED CCC1(CC)NC(=O)N(CC(=O)OCC(=O)NCCC#N)C1=O 5449203 AFYXFBLEDGHJDT-UHFFFAOYSA-N 324.337 -0.330 30 20 DBED C#CC[C@H](C)OC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 83790359 TZJPEHBYSXYXPE-VIFPVBQESA-N 304.306 -0.611 30 20 DBED COCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 135090483 IVEYMSNAANHYJH-JTQLQIEISA-N 311.363 -0.012 30 20 DBED CCC(=O)N1CC[C@@H](Nc2c(C#N)c(=O)n(C)c(=O)n2C)C1 268523134 GENGGCISAIDNME-SECBINFHSA-N 305.338 -0.622 30 20 DBED CCOC(=O)CO/N=C(/C(=O)NCc1ncc[nH]1)c1cc[nH]n1 278088439 XVRBBPUJZZLWIO-XDHOZWIPSA-N 320.309 -0.267 30 20 DBED N#Cc1cccnc1N1CCN(C(=O)[C@H]2COC(=O)N2)CC1 283103502 CFCSNOXYINSFCK-LLVKDONJSA-N 301.306 -0.290 30 20 DBED CCN(CCS(=O)(=O)c1ccc(C#N)cn1)[C@@H]1CCNC1=O 289444662 OPSYEAIVTYIWAK-GFCCVEGCSA-N 322.390 -0.063 30 20 DBED COCCN(CCC#N)S(=O)(=O)NCc1cncn1C 290054585 BPKZFEDIGPPPKI-UHFFFAOYSA-N 301.372 -0.383 30 20 DBED CNC(=O)C1CN(C(=O)C(=O)Nc2ccc(C#N)c(F)c2)C1 291441435 ZINNVEAQWGPBIK-UHFFFAOYSA-N 304.281 -0.160 30 20 DBED N#CCOc1cccc(NC(=O)C(=O)N2CCNC(=O)C2)c1 298944468 NNSKZGUJKIZABU-UHFFFAOYSA-N 302.290 -0.514 30 20 DBED COC(=O)[C@H]1C[C@@H](O)CN1CC(=O)NC1(C#N)CCCCC1 317544043 SHJWWYFSUAJMSZ-VXGBXAGGSA-N 309.366 -0.063 30 20 DBED C[C@H](CN1CCOCC1)/N=C(/O)N1C[C@@H]2OCCN(C)[C@@H]2C1 329984378 QHCTTWBUTADSSF-MCIONIFRSA-N 312.414 -0.364 30 20 DBED O=C1C[C@H](/C(O)=N/[C@@H]2[C@H]3COC[C@H]32)CN1CCN1CCOCC1 330079286 FWKRMWQLUVQJKC-RMRHIDDWSA-N 323.393 -0.232 30 20 DBED Cn1cc([C@@]2(C)CN(/C(O)=N/Cc3nnn(C)n3)CCO2)cn1 330241241 WDCLYKLGHSLQDE-CYBMUJFWSA-N 320.357 -0.395 30 20 DBED C=CCN(CCS(=O)(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 330365771 RSXSZTGJIQJYKL-NSHDSACASA-N 310.441 -0.447 30 20 DBED Cc1cnn(CC/N=C(/O)N2CC[C@H](S(N)(=O)=O)C2)c1 331302080 XEFZUOUUKDRTTN-JTQLQIEISA-N 301.372 -0.532 30 20 DBED Cc1noc([C@@H](C)NS(=O)(=O)N2CCO[C@@H](C#N)C2)n1 336927624 WTTXFLZPPPQUCI-APPZFPTMSA-N 301.328 -0.502 30 20 DBED CCN(CCC#N)S(=O)(=O)NC[C@@H]1CN(C)CCN1C 337087994 GSCKNIOYQZXUMU-GFCCVEGCSA-N 303.432 -0.698 30 20 DBED CC#CCCCC(=O)N(C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 342233622 RHRSGCMQQXTIJO-GFCCVEGCSA-N 314.407 -0.058 30 20 DBED Cc1nc2ccccc2c(=O)n1CC(=O)NCC(=O)NCC#N 343517633 LHVNJXFVOINPRO-UHFFFAOYSA-N 313.317 -0.539 30 20 DBED C=CCOC[C@H](NC(=O)[C@H]1CCc2nncn2C1)C(=O)OC 352598765 YYVFDQAZJMHVHB-QWRGUYRKSA-N 308.338 -0.299 30 20 DBED C=CCNc1nnc(S(=O)(=O)[C@H](C)C(=O)NC2CC2)s1 358745148 WRCCIGCWMUIEGG-SSDOTTSWSA-N 316.408 0.577 30 20 DBED Cn1c(N[C@H]2CCN3CCC[C@@H]3C2)c(C#N)c(=O)n(C)c1=O 363108760 XTWXABBTZITTHG-WDEREUQCSA-N 303.366 -0.006 30 20 DBED C=CCNC(=O)NC(=O)CN1CCS(=O)(=O)CC[C@H]1C 376429866 VPHNZKSCVFPSJG-SNVBAGLBSA-N 303.384 -0.493 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N[C@@]1(C)CCS(=O)(=O)C1 407977610 UARWPTNVYUNUKL-UWVGGRQHSA-N 309.413 -0.368 30 20 DBED N#CCCC[C@@H](N)C(=O)NC[C@H](N1CCNCC1)C(F)(F)F 424180871 WPWCYMZEOCKQKS-MNOVXSKESA-N 321.347 -0.040 30 20 DBED N#Cc1ccc(C(=O)N2CCN(S(N)(=O)=O)CC2)s1 487732667 CPQZXOWJKVVRRW-UHFFFAOYSA-N 300.365 -0.419 30 20 DBED CC#CC[C@H](NS(=O)(=O)N1CCOC(C)(C)C1)C(=O)O 543786502 FHQNMDPNMFMZID-JTQLQIEISA-N 304.368 -0.202 30 20 DBED N#Cc1ccc(S(=O)(=O)N[C@@H](C(=O)O)[C@@H]2CCOC2)cn1 548199195 KNVWESOVZSDDLP-LDYMZIIASA-N 311.319 -0.279 30 20 DBED CC(=O)c1cccc(S(=O)(=O)NCC(=O)NCC#CCO)c1 567750680 FSVRZJJYFYPRGM-UHFFFAOYSA-N 324.358 -0.721 30 20 DBED C[C@@H](C(=O)NCCN1C[C@@H](C)OC[C@H]1C)n1cnc(C#N)n1 597992650 CIKFOZNDGHTBKH-UTUOFQBUSA-N 306.370 -0.064 30 20 DBED N#CCCN1CCN(C(=O)C(=O)N2CCC[C@H](CO)C2)CC1 601416344 OQIRGEKRSRGUOZ-ZDUSSCGKSA-N 308.382 -0.725 30 20 DBED N#CCCN1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@]3(N)C2)CC1 601583578 QRXXPUMZIJHZNQ-XJKSGUPXSA-N 319.409 -0.616 30 20 DBED Cn1cc(C#N)c(NC(=O)N2CCN(C(C)(C)C(N)=O)CC2)n1 610572174 RATKYDLCWLUODB-UHFFFAOYSA-N 319.369 -0.295 30 20 DBED CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)N1CCN(CC#N)CC1 619582445 XTEKRWUBBWZNNI-GFCCVEGCSA-N 323.397 -0.940 30 20 DBED CCN1CCC(NS(=O)(=O)N2CCO[C@H](C#N)C2)CC1 619707260 CYLNRVKASBBRTR-GFCCVEGCSA-N 302.400 -0.471 30 20 DBED C=CCOCC(=O)N1CCN(S(=O)(=O)N(CC)CC)CC1 729305157 IOMRCOAJCOGHHO-UHFFFAOYSA-N 319.427 -0.080 30 20 DBED C#Cc1cccc(NC(=O)C(=O)N2CCO[C@@H](C(=O)O)C2)c1 736091444 TXCJOKKYGCJMFY-GFCCVEGCSA-N 302.286 -0.082 30 20 DBED C#CCOCCC(=O)OCC(=O)N1CCN(C(=O)C2CC2)CC1 756303568 LVOJUSVQVPLTEM-UHFFFAOYSA-N 322.361 -0.350 30 20 DBED Cc1c(C#N)cccc1NC(=O)C(=O)NN1CC(=O)N(C)C1=O 785314007 GYTQSTZWWOINMM-UHFFFAOYSA-N 315.289 -0.270 30 20 DBED N#CCOc1ccc(CC(=O)NC[C@@H]2CC(C(N)=O)=NO2)cc1 787929674 JPBDSSPVXSDTDV-LBPRGKRZSA-N 316.317 -0.122 30 20 DBED C#CCC[C@H](O)CNC(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 799085266 OATCJMKYHCMYQV-JQPXUNLUSA-N 316.357 -0.316 30 20 DBED C#CCCS(=O)(=O)NC1CCN(CC(=O)NCCC)CC1 808281813 QQTYBBCFEMSSFV-UHFFFAOYSA-N 315.439 -0.080 30 20 DBED N#Cc1c(N2CC[C@@H](CO)[C@@H](O)C2)cccc1S(N)(=O)=O 811837779 DJLCRDKVIMRVND-CABZTGNLSA-N 311.363 -0.615 30 20 DBED CC(C)(C#N)CS(=O)(=O)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 824058812 CPZYODSSPYJFEL-UHFFFAOYSA-N 323.338 -0.196 30 20 DBED CN(C)S(=O)(=O)c1ccc(C(=O)N[C@@H]2CNC[C@H]2C#N)o1 834516374 ICLBBXFHAHUUJW-RKDXNWHRSA-N 312.351 -0.629 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCN[C@@H](C(C)C)C1)[C@@H]1CCCO1 842164504 WBRXPKZLOHRAOC-MJBXVCDLSA-N 307.394 -0.260 30 20 DBED C#CC[C@H](CO)NC[C@H](O)CN1C(=O)c2ccccc2C1=O 843077035 KQNSEYXNCPOLEO-NEPJUHHUSA-N 302.330 -0.383 30 20 DBED C#CCOCCNC(=O)c1cn(CC(=O)OC(C)(C)C)nn1 867369762 FQUATWNBUXYPEH-UHFFFAOYSA-N 308.338 -0.001 30 20 DBED C#CCOc1ccc(CNC(=O)CN2CCNC(=O)C2)cc1 909038538 XLTZRQQQGVBTDK-UHFFFAOYSA-N 301.346 -0.253 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)CCc2cc(C)on2)CC1 931874963 SKDIYMKMLAGCDS-UHFFFAOYSA-N 318.377 -0.191 30 20 DBED C#CC1(O)CN([C@@H](C)C(=O)N2CCC[C@@H](C(=O)OCC)C2)C1 934447062 LHBZAFDOHXPJOW-QWHCGFSZSA-N 308.378 -0.144 30 20 DBED CN1CCO[C@@H](C(=O)N[C@H]2CCN(C(=O)C#CC3CC3)C2)C1 937778560 HNBXTKRYTPOGGV-UONOGXRCSA-N 305.378 -0.553 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cnn[nH]2)C1 938863127 RIJHJAVAJYKMEL-UMNHJUIQSA-N 305.338 -0.274 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](NC(=O)c2cc(=O)n(C)cn2)C1 941245555 GWWXNWCPTPLAHS-NXEZZACHSA-N 303.322 -0.729 30 20 DBED CCN(C(=O)[C@H]1CCNC1=O)[C@H]1CCN(C(=O)C#CC2CC2)C1 942901211 HTRQMRYDXMBQTQ-KBPBESRZSA-N 317.389 -0.015 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCN(C(=O)[C@H]3COC(=O)N3)CC2)C1 944923705 VGPHHGPAUVVCKF-WDEREUQCSA-N 320.349 -0.295 30 20 DBED CO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1NC(=O)c1n[nH]cc1F 946601585 RMORRPYJNKWDBN-SZEHBUNVSA-N 309.301 -0.336 30 20 DBED C#Cc1ccc(C(=O)N2C[C@H]3C[C@H]2[C@@H]3NC(=O)c2nc[nH]n2)cn1 947756751 WJPHJBOJCOAKDE-KGYLQXTDSA-N 322.328 -0.176 30 20 DBED C[C@H](C#N)C(=O)N1CCC(NC(=O)c2ccc(C(N)=O)[nH]2)CC1 948099807 ZBOIQZZGMMADRT-SECBINFHSA-N 317.349 -0.006 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)[C@@H]1CCNC(=O)C1)CCO2 949070442 HYAAWTFENIHZHB-CQSZACIVSA-N 319.405 -0.161 30 20 DBED CCN1C[C@H](C(=O)NC[C@@H]2CCN2C(=O)C#CC2CC2)CC1=O 950403969 JXBDSBALGIXQTM-KGLIPLIRSA-N 317.389 -0.015 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]1CNC(=O)c1cc(C(N)=O)cn1C 951308254 ZMCVWKNEPSDTKJ-KOLCDFICSA-N 317.349 -0.386 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2scnc2COC)C1 958472815 YMRMCSMIRZADTR-ZYHUDNBSSA-N 309.391 -0.055 30 20 DBED C#CCOc1ncccc1C(=O)NC[C@@H]1CN(CC#N)C[C@H]1O 958595455 ROXHWJCRLBJQME-TZMCWYRMSA-N 314.345 -0.360 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H]2CN(C(=O)CC(C)(C)O)C[C@@H]21 960881762 LBLLTWJKESQYEB-GRYCIOLGSA-N 309.366 -0.255 30 20 DBED C=CCCn1cc(C(=O)NC2[C@@H]3CN([C@H](C)C(N)=O)C[C@@H]23)nn1 961997328 ACAPMFYGHGCLEX-GMTAPVOTSA-N 318.381 -0.612 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)c1cn(C)cn1 964151902 VHUAKVNIVIMUQM-MNOVXSKESA-N 305.338 -0.463 30 20 DBED Cc1cc(C(=O)N[C@@H]2COC3(C2)CN(C(=O)[C@@H](C)C#N)C3)n[nH]1 965637852 KIPZICPMKOWLGE-ONGXEEELSA-N 317.349 -0.023 30 20 DBED C#CCN1CCC(C(=O)N[C@@H]2CN(C(=O)C(C)C)C[C@@H]2O)CC1 966004729 PPBPZUYUEOMENS-CABCVRRESA-N 321.421 -0.325 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)CC(N)=O)C[C@@H]2C)nc1 966279933 REDANDWGTYWFSL-GXFFZTMASA-N 314.345 -0.485 30 20 DBED CC1(C)CN(C(=O)C(N)=O)CC[C@@H]1NC(=O)c1ccc(C#N)[nH]1 967004199 GYWDHBTYGASERG-NSHDSACASA-N 317.349 -0.271 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCC(=O)NC1 969356056 ZTYNWJUTHJQVDH-QNWHQSFQSA-N 318.377 -0.126 30 20 DBED C[C@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)[C@H]1COCCN1C)C2 969804716 GFJUIDPESDUEHA-ZOBORPQBSA-N 320.393 -0.322 30 20 DBED C=CCn1cc(C(=O)N[C@@H](C)C2CN([C@H](CC)C(N)=O)C2)nn1 970545472 ZRKQRJAENKNGFQ-GXFFZTMASA-N 320.397 -0.222 30 20 DBED C#CCCN1CCO[C@]2(CCN(C(=O)c3ncn(C)n3)C2)C1 972372346 XYSWJWKVAIMVKB-OAHLLOKOSA-N 303.366 -0.245 30 20 DBED CN(CC#N)[C@@H]1CCN(C(=O)[C@H]2CCc3nnnn3CC2)C1 972384884 PDMXQFGGRIHHDF-NWDGAFQWSA-N 303.370 -0.318 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)c3cnn(C)n3)C2)cn1 974313565 RRNLDQWMDXQPNV-BETUJISGSA-N 324.344 -0.118 30 20 DBED N#Cc1cc(C(=O)N2C[C@H]3[C@H](NC(=O)Cn4cccn4)[C@H]3C2)c[nH]1 976173668 MWANPIGUBNNVTD-NHAGDIPZSA-N 324.344 -0.030 30 20 DBED C#CCN1C[C@H]2C(CNC(=O)c3nnn(C(C)(C)C)n3)[C@@H]2C1 978227885 QMDNTZMGZKIVPY-RYUDHWBXSA-N 302.382 -0.031 30 20 DBED Cn1nnc(C(=O)NC[C@H]2CCN(C(=O)C#CC3CC3)C2)n1 982739505 NUWMWPMUHSGVIG-LLVKDONJSA-N 302.338 -0.798 30 20 DBED NC(=O)CC(=O)N1CC[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2C1 986077179 DKJOCPMBQSDOLP-OLZOCXBDSA-N 303.362 -0.418 30 20 DBED N#Cc1ccc(C(=O)NC2CN(C(=O)[C@H]3CCCC(=O)N3)C2)[nH]1 990891914 GIYLVBRLOLOBPD-GFCCVEGCSA-N 315.333 -0.504 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)C(F)F)C[C@@H]2O)[nH]1 991397955 DJBXBEKBQOAGDP-SCZZXKLOSA-N 312.276 -0.157 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CN(C(=O)[C@@H]2CCC(=O)N2)C1 992032982 WQOBZAHGNQBMHC-OBJOEFQTSA-N 321.377 -0.427 30 20 DBED C=C(C)C(C)(C)C(=O)N1CC(NC(=O)C[C@@H]2NC(=O)NC2=O)C1 994743012 GDKGYTLBPFTFSD-JTQLQIEISA-N 322.365 -0.486 30 20 DBED C#CCNC1CCN(C(=O)Cc2c(C)nc(O)nc2O)CC1 997114873 FXDXGMRAWNRZEJ-UHFFFAOYSA-N 304.350 -0.047 30 20 DBED C#Cc1ccc(C(=O)N2CC(NC(=O)[C@@H]3CCNC3=O)C2)nc1 997422529 RRQMQXFJCSNXEX-GFCCVEGCSA-N 312.329 -0.860 30 20 DBED Cn1cc(C(=O)N2CC(CNC(=O)c3cc(C#N)c[nH]3)C2)nn1 1001341775 MHEHNZRZDQMAJY-UHFFFAOYSA-N 313.321 -0.483 30 20 DBED COCCn1nccc1C(=O)NCC1CN(C(=O)[C@@H](C)C#N)C1 1002713969 FBUCQTWVOLUDPL-NSHDSACASA-N 319.365 -0.123 30 20 DBED C#CCCN1CC[C@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)C1 1016174641 MZRDRVCYUODIIU-NSHDSACASA-N 306.366 -0.469 30 20 DBED C#CCN1CCC(C(=O)N[C@@H]2CCN([C@@H](C)C(N)=O)C2)CC1 1016330363 SAFCBAGQNCMHKE-GXTWGEPZSA-N 306.410 -0.604 30 20 DBED C#CCN1CCC[C@@H](CNC(=O)c2nccnc2C(N)=O)C1 1023739008 KWAOHZTWLXNIKE-NSHDSACASA-N 301.350 -0.350 30 20 DBED C#CCN1CCCC[C@@H]1CNC(=O)c1cnc(O)n(C)c1=O 1024593989 WQYGZJHQTGSSKK-LLVKDONJSA-N 304.350 -0.297 30 20 DBED N#Cc1c[nH]c(C(=O)NC2CN([C@H]3CCC(=O)NC3=O)C2)c1 1030197089 UNNQREGOQJYJFI-NSHDSACASA-N 301.306 -0.894 30 20 DBED C=CCN1C[C@@H]2C[C@H]1CN2C(=O)Cn1[nH]cc2c(=O)ncnc1-2 1032689349 ZYLUJHHGJDCXPA-QWRGUYRKSA-N 314.349 -0.458 30 20 DBED CN(C(=O)c1ccc(S(N)(=O)=O)o1)[C@@H]1CCN(CC#N)C1 1033233301 YEMZWFDUMKQRCI-SECBINFHSA-N 312.351 -0.403 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2CN(C[C@H](C)O)CCO2)nn1 1035535294 HMCUXDFUKWMOMP-RYUDHWBXSA-N 309.370 -0.725 30 20 DBED C#CCN[C@H]1CCN(C(=O)CN2C(=O)CN(C)C2=O)C[C@H]1C 1036281021 BLHFHXDEQGARCW-NEPJUHHUSA-N 306.366 -0.660 30 20 DBED N#CCN1CC[C@H]2CN(C(=O)C3CC(=O)NC(=O)C3)CC[C@H]21 1036842675 TWICUHXBOONHEX-CMPLNLGQSA-N 304.350 -0.514 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)CN3CC(=O)NC3=O)CC[C@H]21 1036843346 FDFIRIAEJXHIHO-VXGBXAGGSA-N 304.350 -0.906 30 20 DBED CCC(=O)NCC(=O)N1CC[C@@](O)(CNC(=O)C#CC(C)C)C1 1039663344 DEOHFAYYOZCSEN-MRXNPFEDSA-N 323.393 -0.748 30 20 DBED N#Cc1cnccc1N1CCO[C@H]2CCN(C(=O)C(N)=O)C[C@H]21 1040000566 JZPFTVMDYONBQX-OLZOCXBDSA-N 315.333 -0.755 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)[C@H]2CCCCO2)C1 1042567820 FNCDNJYUXLMORP-CHWSQXEVSA-N 324.377 -0.717 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)CCc2cnn[nH]2)C1 1042801374 LATSHQBXEFBSOQ-UHFFFAOYSA-N 319.365 -0.770 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)[C@H]2CO[C@@H](C)C2)C1 1042940667 DTBQKXGUWRDVTP-QWHCGFSZSA-N 308.378 -0.240 30 20 DBED CO[C@@H](C(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1)C1CC1 1042957976 CMNBPUXPUOCVPC-CQSZACIVSA-N 306.362 -0.486 30 20 DBED N#Cc1c(F)cccc1N1C[C@H](O)[C@H](NC(=O)c2nc[nH]n2)C1 1044108783 BVZOAAZAXYSLQZ-PWSUYJOCSA-N 316.296 -0.205 30 20 DBED C#CCN1CC[C@@H](N2CCN(C(=O)Cc3nc[nH]n3)CC2)C1 1046076901 IVCWRGBVQHRPQQ-CYBMUJFWSA-N 302.382 -0.801 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)c2cccc(=O)n2C)C1 1046343409 SELBGTOFCRDCIB-UHFFFAOYSA-N 319.361 -0.345 30 20 DBED C=CCCC(=O)N(C)[C@H]1CN(C(=O)[C@H]2CCC(=O)NC2)C[C@@H]1O 1048515365 XMDIDFNVLGDTGC-AVGNSLFASA-N 323.393 -0.491 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cc2nonc2C)C1 1049408592 TWSSPSHCUNAHAY-STQMWFEESA-N 322.365 -0.083 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)c1ccc(=O)n(CC)n1 1051173091 PDNIEUMNHICGPC-LBPRGKRZSA-N 304.350 -0.673 30 20 DBED C#CCN1CCN([C@@H]2CCN(C(=O)c3[nH]nnc3C)C2)CC1 1052060440 DNMZCSGGRSMMBT-CYBMUJFWSA-N 302.382 -0.422 30 20 DBED C#CCN1CCN([C@H]2CCN(C(=O)[C@@H]3CCC(=O)N3)C2)CC1 1052110245 NZIQBYXVWNKERY-KBPBESRZSA-N 304.394 -0.883 30 20 DBED C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1CNC(=O)CC(N)=O 1052385343 SJYKPKQWHPUPGF-ZJUUUORDSA-N 317.349 -0.414 30 20 DBED C=C(Cl)CN1CC2(C1)CN(C(=O)Cn1ncnn1)CCO2 1053254716 PJIJQGRAZSKZCV-UHFFFAOYSA-N 312.761 -0.661 30 20 DBED C#CCN1CC2(C1)CN(C(=O)C(=O)N1CC[C@@H](C)C1)CCO2 1053501901 DDFRYNDLGDJYHB-CYBMUJFWSA-N 305.378 -0.599 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)c3n[nH]c4c3CCC4)CO2)C1 1053856746 PKXADDIHFQLWJZ-JTQLQIEISA-N 301.350 -0.005 30 20 DBED C=CCCN1CC2(C[C@@H](NC(=O)c3c[nH]c(=O)cn3)CO2)C1 1053910231 VQCFOAYEVOSMSE-LLVKDONJSA-N 304.350 -0.081 30 20 DBED C=CCCN1CC2(C[C@@H](NC(=O)c3ccc(=O)n(C)n3)CO2)C1 1054002062 QCKLMTBQIDZSBZ-GFCCVEGCSA-N 318.377 -0.071 30 20 DBED COc1ccc(CN[C@H]2CN(C(=O)C(N)=O)C[C@@H]2C)cc1C#N 1055019578 BFDSAZGDBAKMRQ-GWCFXTLKSA-N 316.361 -0.011 30 20 DBED Cn1ncc(C(=O)N2CCN(c3cncc(C#N)n3)CC2)c1N 1055777332 STVUSRDMSRCSKP-UHFFFAOYSA-N 312.337 -0.374 30 20 DBED C=C[C@H](C)[C@@H](C)C(=O)NCCN(CCO)C(=O)CNC(N)=O 1056919262 MXFZNTRSGGHBDA-WDEREUQCSA-N 314.386 -0.950 30 20 DBED Cc1cc(C(=O)NCCN(CCO)C(=O)C#CC2CC2)nn1C 1057531474 QBESVYGKRRBXCK-UHFFFAOYSA-N 318.377 -0.307 30 20 DBED CS(=O)(=O)CC(=O)N1CCC[C@@H](Nc2cncc(C#N)n2)C1 1057576663 FXXWQRUVTLDBMJ-SNVBAGLBSA-N 323.378 -0.204 30 20 DBED C=CCCn1cc(C(=O)N(CCO)CCNC(=O)C2CC2)nn1 1057711419 OTNRAUFVQMTPCP-UHFFFAOYSA-N 321.381 -0.185 30 20 DBED CN(C)[C@H](C(=O)N(CCO)CCNC(=O)C#CC1CC1)C1CC1 1057876351 HQURRKSYZJQLEF-INIZCTEOSA-N 321.421 -0.323 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)C12CCN(CC1)C2 1058161988 GRGKWTBLZIIHHG-GFCCVEGCSA-N 308.382 -0.821 30 20 DBED N#Cc1nccnc1N1CCC[C@H](NC(=O)[C@@H]2CCC(=O)N2)C1 1058180357 ILITVAXACANOGF-QWRGUYRKSA-N 314.349 -0.288 30 20 DBED C#CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)c1ccncn1 1058503467 JSQCIBXCJZRRDK-LBPRGKRZSA-N 320.349 -0.934 30 20 DBED CCO[C@H](C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N)C1CC1 1058656894 MRWRQHYAFXYBKH-AAEUAGOBSA-N 311.382 -0.102 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)CCc1cncnc1 1058661359 UOUKZPALGNNPDU-LBPRGKRZSA-N 319.365 -0.494 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](Nc2ncnc3c2nnn3C)C1 1058853622 OBMOYUOOHVGMKC-IUCAKERBSA-N 300.326 -0.069 30 20 DBED Cn1c(C(=O)N[C@H]2C[C@H](N=c3cc[nH]c(C#N)n3)C2)cnc1O 1059364880 NTWXXJOZRPEXHQ-KYZUINATSA-N 313.321 -0.418 30 20 DBED C=CCCC(=O)NC[C@@H]1COCCN1C(=O)[C@H]1COCCO1 1061397808 ZPSSLPWEPSOWHT-CHWSQXEVSA-N 312.366 -0.288 30 20 DBED C=CCCC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1CC(=O)N(C)C1 1061645301 UKVHWYSVRIABIH-OLZOCXBDSA-N 323.393 -0.226 30 20 DBED C#CCCCC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1CCC(=O)N1 1061738712 SBGVYJZVHCZNRC-STQMWFEESA-N 321.377 -0.588 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)c1cccnn1 1061848387 QIOYXAJZNXRQBA-GHMZBOCLSA-N 303.322 -0.407 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)CN1CCCC1 1061851026 DRDFEVZKCRBABG-STQMWFEESA-N 308.382 -0.415 30 20 DBED C#CCOCCC(=O)NCC1(NC(=O)Cc2nc[nH]n2)CCC1 1063040286 MMZHIYPXIRXSHL-UHFFFAOYSA-N 319.365 -0.458 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(NC(=O)CNC(=O)CC)CCC1 1063042240 QBYPMXWQISGQAE-LBPRGKRZSA-N 323.393 -0.294 30 20 DBED N#Cc1cncc(N2CCO[C@@H](CNC(=O)[C@H]3CCOC3)C2)n1 1063619662 YEEWZBWRUMSCLH-AAEUAGOBSA-N 317.349 -0.294 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)[C@@H]2CCCO2)CCO1 1064814984 SMUQLLQRSFZNGN-STQMWFEESA-N 312.366 -0.288 30 20 DBED Cc1nnc(CC(=O)N2CCO[C@@H](CNC(=O)[C@@H](C)C#N)C2)o1 1065113517 JUKALFOEIJXZCL-ONGXEEELSA-N 321.337 -0.576 30 20 DBED CCn1cc(C(=O)N2CCO[C@H](CNC(=O)[C@H](C)C#N)C2)nn1 1065559672 ALOLYIPDGLWDNW-GHMZBOCLSA-N 320.353 -0.585 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CN(C(=O)CCCCC(N)=O)CCO1 1065618026 NARIJAOOUFFCIE-VXGBXAGGSA-N 324.381 -0.465 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)CCO1 1065627237 PTNAOCIYZNERLN-TUAOUCFPSA-N 309.366 -0.582 30 20 DBED COCC(=O)N1CC[C@]2(C1)CN(c1cncc(C#N)n1)CCO2 1068074689 COWMYKUXMKOUBP-OAHLLOKOSA-N 317.349 -0.198 30 20 DBED C=CCOCC(=O)N[C@@H]1COC2(C1)CN(C(=O)[C@@H]1CCOC1)C2 1068764422 QJDMUOCJRGMFGE-OLZOCXBDSA-N 324.377 -0.288 30 20 DBED CC[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1 1069950162 CYRKYDLMOXOCMJ-MQYQWHSLSA-N 318.381 -0.042 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)c2cn[nH]c2)CCOCC1 1070008540 LBMJSJDVOFQTMC-JTQLQIEISA-N 305.338 -0.035 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)C4=COCCO4)C[C@@]3(C1)O2 1070753150 LTSVRYPTWYKIBF-XJKCOSOUSA-N 304.346 -0.191 30 20 DBED N#CCN1C[C@H]2C[C@@H]3CN(C(=O)c4cnnc(O)c4)C[C@@]3(C1)O2 1070813139 IVOYYRRQZVCUHZ-LALPHHSUSA-N 315.333 -0.379 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)c2nn(C)cc2C)CC1 1070963627 ZZGGWMPCOKOINU-UHFFFAOYSA-N 317.393 -0.374 30 20 DBED N#CCN1CCNC(=O)CCN(C(=O)[C@@]23COC[C@@H]2C3)CC1 1070965686 OBCHZXDXZYANSK-WFASDCNBSA-N 306.366 -0.803 30 20 DBED Cc1c(C(=O)N2C[C@@H](C)O[C@@]3(CCN(CC#N)C3)C2)nnn1C 1071149915 UAFKXAOPRRBXAR-IAQYHMDHSA-N 318.381 -0.048 30 20 DBED CC(=O)NCC(=O)N1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@H](C)C1 1071495715 KJAXDHIAIGUSMP-NOZJJQNGSA-N 317.349 -0.401 30 20 DBED C=CCOCC(=O)N[C@H]1CN(C(=O)CCc2nc[nH]n2)C[C@@H]1C 1071878893 WIHYNMJXAMNCNR-RYUDHWBXSA-N 321.381 -0.097 30 20 DBED C=CCn1cc(C(=O)N2C[C@@H](C)[C@@H](NC(=O)COC)C2)nn1 1072124884 GSKIWOMJYGCKRS-MNOVXSKESA-N 307.354 -0.313 30 20 DBED C[C@@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1NC(=O)C#CC(C)(C)C 1072166125 XLSAUOOEOMGORL-NEPJUHHUSA-N 318.381 -0.314 30 20 DBED C#CCC1(C(=O)N[C@H]2CN(C(=O)C(N)=O)C[C@@H]2C)CCOCC1 1072639420 WLVRSPSFXFMTAN-RYUDHWBXSA-N 321.377 -0.745 30 20 DBED CC#CCN1CCC2(C1)CN(C(=O)C1CC(=O)NC(=O)C1)C2 1073057314 SRRDJXFFRRGLAK-UHFFFAOYSA-N 303.362 -0.403 30 20 DBED CC#CCCCC(=O)N1CC(N2CCN(C(=O)C(N)=O)CC2)C1 1073596349 PPFOWJQJWWYCKL-UHFFFAOYSA-N 320.393 -0.980 30 20 DBED C=CCOCC(=O)NCC1(O)CCN(C(=O)COCC)CC1 1074445276 JVLBNPJMWBEYHO-UHFFFAOYSA-N 314.382 -0.305 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCC(O)(CNC(=O)[C@@H](C)C#N)CC1 1074566507 NGNVQXQRHLAKKY-SWLSCSKDSA-N 323.393 -0.057 30 20 DBED C[C@@H](CCNC(=O)CSCC#N)NC(=O)[C@H]1C[C@H]1C(N)=O 1075678364 YEYSOBNMIYXZEH-AEJSXWLSSA-N 312.395 -0.624 30 20 DBED C#CCO[C@H](C)C(=O)NCC[C@H](C)NC(=O)[C@H]1CCC(=O)N1C 1076511769 FKAOHLATZGUDTO-YNEHKIRRSA-N 323.393 -0.344 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)c2nnn(C(C)(C)C)n2)C1 1077034012 FCRWEWWXOBKITC-GHMZBOCLSA-N 306.370 -0.774 30 20 DBED C[C@@H](CCNC(=O)[C@H]1CCN(C)C1=O)NC(=O)C#CC1CC1 1077907539 ATZSMWSBXJTATD-WCQYABFASA-N 305.378 -0.111 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)c2cn3nccc3nc2C)C1 1077915661 OJWBLAURQAEUAA-ZIAGYGMSSA-N 313.361 -0.164 30 20 DBED C#CCN[C@H]1C[C@H](NC(=O)CN2CCN(C)C(=O)C2)C12CCC2 1078663192 JFAIKPWVXMARSH-KBPBESRZSA-N 318.421 -0.589 30 20 DBED Cc1nn(CC(=O)N[C@H]2C[C@@H](NCC#N)C23CCC3)c(=O)n1C 1078796759 DANRFFBZJNPYNL-NEPJUHHUSA-N 318.381 -0.569 30 20 DBED C=CCO[C@H](C)C(=O)N1CC(N(CC)C(=O)C2(C(N)=O)CC2)C1 1080399573 SMYTVRSDHWHYSV-LLVKDONJSA-N 323.393 -0.098 30 20 DBED CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)[C@@H](C)NC(=O)COC)C1 1080420584 XFXVXZHVDUPKEL-WDEREUQCSA-N 324.381 -0.644 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(C(=O)Cc2cnc[nH]2)C[C@@H]1O 1081474887 VLKRKMAUDRTOFX-JSGCOSHPSA-N 316.361 -0.699 30 20 DBED C=CCCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2cnn[nH]2)C1 1081590015 LKFBOKXKUUXSRS-ZYHUDNBSSA-N 307.354 -0.290 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)C(=O)N1CCC[C@H](C)C1 1082208323 IDUDIEAIAAHTQP-YNEHKIRRSA-N 308.382 -0.416 30 20 DBED C[C@H](C#N)C(=O)N1CCCC[C@H]1CNC(=O)CS(C)(=O)=O 1082267011 FNPQYWJXSQPNJZ-MNOVXSKESA-N 315.395 -0.312 30 20 DBED C=C(C)CN1C[C@@H](NC(=O)Cn2c(O)nnc2O)[C@H](OC)C1 1082346725 YOPPEHYKNVBKBP-NXEZZACHSA-N 311.342 -0.919 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1ccc(C(N)=O)cc1 1083272336 HIACGFMVTVTUIP-UONOGXRCSA-N 314.345 -0.166 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCCN(C(N)=O)C2)C1 1083619739 DGLMLTYZQZNDJW-MCIONIFRSA-N 324.425 -0.095 30 20 DBED Cn1cnc2cc(C(=O)N[C@@H]3CN(CC#N)C[C@@H]3O)cnc21 1083695122 KSWMYLHHSAKCOV-NEPJUHHUSA-N 300.322 -0.733 30 20 DBED Cn1cc([C@@H]2CN(C(=O)[C@H]3CCOC3)C[C@H]2NCC#N)cn1 1086970288 IQSBTGNDDDTNQF-FPMFFAJLSA-N 303.366 -0.136 30 20 DBED C=C(Cl)CN1CC[C@H](NC(=O)c2cnn(C)c2N)[C@@H](O)C1 1090216442 MZPBMUNPPVBYLN-QWRGUYRKSA-N 313.789 -0.080 30 20 DBED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(N)=O)[C@H](O)C2)s1 1090530107 AQPIPNWVESMZLM-GHMZBOCLSA-N 308.363 -0.844 30 20 DBED Cn1cc(C(C)(C)C(=O)N[C@H]2CCN(CC#N)C[C@H]2O)cn1 1090684878 COPKMESYNKKGOS-QWHCGFSZSA-N 305.382 -0.227 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@@H]1O 1091152871 KVPDCBGYBKUWTO-KYOSRNDESA-N 314.345 -0.343 30 20 DBED N#Cc1cnc(N[C@H]2C[C@H](CNC(=O)Cn3ncnn3)C2)cn1 1091482551 NABPVTHKAPVCOC-MGCOHNPYSA-N 313.325 -0.658 30 20 DBED COCCC(=O)N[C@H]1CCN(c2nc(C)cc(C#N)n2)C[C@@H]1O 1092132556 VETZTGSEPSJBQB-STQMWFEESA-N 319.365 -0.251 30 20 DBED C=CCN1C[C@@H]2CN(C(=O)CN3CCC(=O)NC3=O)C[C@]2(C)C1 1092178267 YEFSBKLOERUWRB-WBMJQRKESA-N 320.393 -0.105 30 20 DBED CC#CCN1CC(OC2CCN(C(=O)Cn3ncnn3)CC2)C1 1093536298 FPVHQQUDFWXNEU-UHFFFAOYSA-N 318.381 -0.612 30 20 DBED C[C@@H]1C[C@@H](C(=O)NCCNc2cncc(C#N)n2)CC(=O)N1 1093983376 YFXGFVOFRDIHRY-NXEZZACHSA-N 302.338 -0.209 30 20 DBED Cn1nnc2cc(C(=O)NCCN=c3cc[nH]c(C#N)n3)ccc21 1094232878 LEPKMNALJSWTQK-UHFFFAOYSA-N 322.332 -0.106 30 20 DBED N#Cc1ccc(NCCCNC(=O)C[C@@H]2CCNC2=O)nn1 1094617846 SAPQNWGPCCNXAG-JTQLQIEISA-N 302.338 -0.207 30 20 DBED CC#CCN1CC(N2C[C@H](NC(=O)c3cnn(C)c3)CC2=O)C1 1094703485 MELJAJPDSLQNMV-CYBMUJFWSA-N 315.377 -0.542 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)c3cncnc3O)CC2=O)C1 1094751035 NTEFBMHGPDJTGK-SNVBAGLBSA-N 317.349 -0.617 30 20 DBED CN(c1cnc(C#N)cn1)[C@H]1CCN(C(=O)CCNC(N)=O)C1 1095117384 QWIKSMCRSQRTKT-NSHDSACASA-N 317.353 -0.556 30 20 DBED CC(=O)NCC(=O)NC1CCN(c2cncc(C#N)n2)CC1 1095387370 ACDMLYJNTCNGOI-UHFFFAOYSA-N 302.338 -0.431 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CCCN(c2ccnc(C#N)n2)C1 1096162074 YRHUHDKXQWJQOY-SNVBAGLBSA-N 302.338 -0.431 30 20 DBED CCOCC(=O)NCCN1CCN(c2cnc(C#N)cn2)CC1 1096263325 ZYWCDMDVEMUUBL-UHFFFAOYSA-N 318.381 -0.377 30 20 DBED CS(=O)(=O)CC(=O)N[C@H]1CCN(c2cncc(C#N)n2)C1 1096342386 HFDWEAHNYCSHMR-VIFPVBQESA-N 309.351 -0.912 30 20 DBED C[C@H](NC(N)=O)C(=O)N[C@@H]1CCN(c2ncccc2C#N)C1 1096356493 VVRVBFHVFXUEEQ-GXSJLCMTSA-N 302.338 -0.295 30 20 DBED CNC(=O)NCCC(=O)NC[C@@H](C)Nc1ccc(C#N)nn1 1097806671 RCXOQNWMPOQJIY-SECBINFHSA-N 305.342 -0.416 30 20 DBED N#CCN(CCO)C1CCN(C(=O)C[C@@H]2CCCC(=O)N2)CC1 1098423999 OZMWDRZTWTZXFW-ZDUSSCGKSA-N 322.409 -0.146 30 20 DBED C[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)CC2(CCN(CC#N)CC2)O1 1098630424 FSDIRBXYUHWLLT-NEPJUHHUSA-N 321.381 -0.727 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CCC(C)(C)CN1CC(=O)NC(N)=O 1098982543 LOKOMGGQMYBVEI-MNOVXSKESA-N 323.397 -0.052 30 20 DBED C[C@@H](CCNC(=O)[C@H](C)NC(N)=O)N=c1cc[nH]c(C#N)n1 1099040318 CPUUAMQBTBOMHN-IUCAKERBSA-N 305.342 -0.866 30 20 DBED C#CCOCCC(=O)NCC[C@H](C)Nc1nccn2nnnc12 1099515981 NEEGEXQFXUUGLH-NSHDSACASA-N 317.353 -0.134 30 20 DBED N#CCNC(=O)CN1CC[C@@H](NC(=O)C2CCCCC2)[C@H](O)C1 1099639187 HVWVODBEODVLGM-ZIAGYGMSSA-N 322.409 -0.242 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)CSCC#N)[C@H](O)C1 1099693387 QZZHABCMAKAVDW-CHWSQXEVSA-N 311.407 -0.556 30 20 DBED CC/C=C(\C)C(=O)N[C@@H]1CCN(CC(=O)NCC#N)C[C@@H]1O 1099720653 HOEKCRJWHNONTG-VVBALGDRSA-N 308.382 -0.466 30 20 DBED Cc1nccc(CCC(=O)N[C@@H]2CCN(CC#N)C[C@@H]2O)n1 1099931244 POLCVSWAPHQORK-KGLIPLIRSA-N 303.366 -0.207 30 20 DBED C#CCCN1CC[C@@H](NC(=O)C(C)(C)CNC(C)=O)[C@H](O)C1 1100031503 GEKYQHNCWSMEKV-ZIAGYGMSSA-N 309.410 -0.277 30 20 DBED C#CCN1CC[C@H](NC(=O)CNC(=O)CC(C)(C)C)[C@@H](O)C1 1100119274 HNUIKBGHKIVKIM-STQMWFEESA-N 309.410 -0.277 30 20 DBED C[C@H](C(=O)NCCN(C)c1ccncc1C#N)S(C)(=O)=O 1100394007 GYCJENFZCPRWED-SNVBAGLBSA-N 310.379 -0.061 30 20 DBED CN1CCCC[C@@H]1C(=O)NCC1CC(NCC(=O)NCC#N)C1 1100447199 SEBVZFCLAWXZKR-JXQTWKCFSA-N 321.425 -0.405 30 20 DBED C=C(C)CNC1CC(CNC(=O)CCn2cc[nH]c(=O)c2=O)C1 1100763407 WDIGROHQNHOXLM-UHFFFAOYSA-N 320.393 -0.013 30 20 DBED Cc1nc(NCCN(C)C(=O)Cn2cnnn2)ccc1C#N 1101495305 DQTYCELVBMENBK-UHFFFAOYSA-N 300.326 -0.181 30 20 DBED Cc1cc(C#N)nc(NCCN(C)C(=O)[C@@H]2COC(=O)N2)n1 1101572691 VIOMJDDZRUVAPQ-JTQLQIEISA-N 304.310 -0.365 30 20 DBED CN(C)CCOCC(=O)N(C)CCNc1cncc(C#N)n1 1101693906 GMBGVBAWNSVSPB-UHFFFAOYSA-N 306.370 -0.203 30 20 DBED Cc1cc(C(=O)NC[C@@H]2CN(CC(=O)NCC#N)C[C@H]2C)no1 1101702060 VVRCVCNKRMOKAL-ZYHUDNBSSA-N 319.365 -0.080 30 20 DBED C[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1CCNC(=O)[C@H](C)C#N 1102785464 BXVUFXLZTQNCSX-GMTAPVOTSA-N 309.370 -0.585 30 20 DBED CC[C@@H](CNC(=O)C1CS(=O)(=O)C1)Nc1nccnc1C#N 1103200072 ONTZCTMUHULYDW-JTQLQIEISA-N 323.378 -0.300 30 20 DBED N#Cc1nccnc1NC[C@H]1CCCN1C(=O)CCNC(N)=O 1103804530 QUYOHIBFIATOJG-SNVBAGLBSA-N 317.353 -0.190 30 20 DBED Cc1nc(CC(=O)NC[C@H](C)CN=c2cc[nH]c(C#N)n2)n[nH]1 1103950933 JCHSLFUETJQXFX-SECBINFHSA-N 314.353 -0.396 30 20 DBED C[C@@H](CNC(=O)Cn1ncnn1)CNc1ncc(C#N)cc1F 1104094822 IYVQGRBEZIPWSL-VIFPVBQESA-N 318.316 -0.057 30 20 DBED C[C@@H](CNc1ncccc1C#N)N(C)C(=O)Cn1cnnn1 1104447494 DVPVISFXDZNFIW-JTQLQIEISA-N 300.326 -0.101 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)[C@H]1CCC(=O)N1 1104495884 CRQNDRZMJFFJFD-NXEZZACHSA-N 302.338 -0.692 30 20 DBED COC[C@@H](C)NCc1cn(C2CN(C(=O)[C@@H](C)C#N)C2)nn1 1105189936 NXYRVSBAGXVYNR-WDEREUQCSA-N 306.370 -0.054 30 20 DBED C=C[C@@](C)(O)CC(=O)N(C)CCN(C)c1ccc2nnnn2n1 1105379940 SAMKTIGRNCYHOH-CQSZACIVSA-N 319.369 -0.259 30 20 DBED CN(CCN(C)c1ccncc1C#N)C(=O)c1nnn(C)n1 1105534630 ARMWFAKJEBGLIX-UHFFFAOYSA-N 300.326 -0.315 30 20 DBED CNC(=O)NCC(=O)N(C)CCN(C)c1nccnc1C#N 1105592760 XFLUNXQQFPEAFM-UHFFFAOYSA-N 305.342 -0.828 30 20 DBED C[C@H](CC(=O)N1CCC(OC2CN(CC#N)C2)CC1)NC(N)=O 1105707033 KBLHYIXJOQVXTJ-LLVKDONJSA-N 323.397 -0.351 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@@H]1CN(C(=O)CCOC)C[C@H]1C 1105753149 LADSDMAKQRJIIF-MGPQQGTHSA-N 309.410 -0.155 30 20 DBED CC(=O)NC(C)(C)C(=O)NC[C@@H](O)CNc1cncc(C#N)n1 1105897823 HMFJFHKJEKPYJU-NSHDSACASA-N 320.353 -0.848 30 20 DBED COc1nc(C(=O)NC[C@@H](O)CNc2ccc(C#N)nn2)co1 1106048995 ARRXCKVEMTVEPO-VIFPVBQESA-N 318.293 -0.452 30 20 DBED N#Cc1nccnc1NC[C@H](O)CNC(=O)c1csc(O)n1 1106067202 SBYLZVAISIBXAP-ZETCQYMHSA-N 320.334 -0.287 30 20 DBED C[C@@H]1CN(C(=O)[C@@H]2CC2(F)F)C[C@H]1CNCC(=O)NCC#N 1106089793 UWWOCPLMDUNMHC-MXWKQRLJSA-N 314.336 -0.035 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](C)[C@H](CNCc2nc(=O)n(C)[nH]2)C1 1106099842 QNQYQPVKIFOWJL-CHWSQXEVSA-N 319.409 -0.048 30 20 DBED C[C@@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)[C@@H]1CCCNC1=O 1106471157 RXEDRMCDZXRHBO-WDEREUQCSA-N 316.365 -0.397 30 20 DBED CCN(CCNc1nc(C)cc(C#N)n1)C(=O)Cn1cnnn1 1106679141 CBPYQRUVVGRIHV-UHFFFAOYSA-N 315.341 -0.396 30 20 DBED COCC#CCN1CC(N2C[C@@H](NC(=O)C(F)F)CC2=O)C1 1108494626 MKNLEBONRPJMGK-JTQLQIEISA-N 315.320 -0.697 30 20 DBED CCOCCN1CC(N2C[C@@H](NC(=O)[C@@H](C)C#N)CC2=O)C1 1108528118 UBYUCRAHBRZZTP-RYUDHWBXSA-N 308.382 -0.416 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H](C)CNc1nccn2nnnc12 1108530920 VQNJAKGCIMTIAE-UWVGGRQHSA-N 303.326 -0.526 30 20 DBED C[C@@H](CNc1ccc(C#N)nn1)NC(=O)C1CS(=O)(=O)C1 1108547463 IKJVNMFPNKLFBF-QMMMGPOBSA-N 309.351 -0.691 30 20 DBED CC(C)[C@@H](C(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1)N(C)C 1108553487 NCZQCXVSHBLSFS-DOMZBBRYSA-N 321.425 -0.503 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)[C@@H](C)OCC=C)CC2=O)C1 1108594769 ZPGIMAFBHCQGCD-CHWSQXEVSA-N 305.378 -0.388 30 20 DBED C[C@H](CN(C)c1ccnc(C#N)n1)NC(=O)c1cc(=O)n(C)o1 1108917888 QCXASUNIOIVIJL-SECBINFHSA-N 316.321 -0.105 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H](O)C(C)C 1109233880 OJVLGVYGSUQISB-UKTARXLSSA-N 307.394 -0.526 30 20 DBED N#Cc1cnc(NC[C@H](NC(=O)[C@H]2CCC(=O)N2)C2CC2)cn1 1109793470 FJDMROKPJRLWOT-NEPJUHHUSA-N 314.349 -0.066 30 20 DBED Cn1nnc(C(=O)N[C@@H](CN=c2cc[nH]cc2C#N)C2CC2)n1 1109967521 WUOZSBALPJNFLA-LBPRGKRZSA-N 312.337 -0.481 30 20 DBED C[C@H](NC(N)=O)C(=O)NCC1(Nc2cnc(C#N)cn2)CC1 1110104695 LLRRJSOBDFBRDG-QMMMGPOBSA-N 303.326 -0.534 30 20 DBED CCOCCC(=O)N(C)[C@H]1CN(c2nccnc2C#N)C[C@@H]1O 1111174474 MKANRDIFDSDCOV-STQMWFEESA-N 319.365 -0.217 30 20 DBED CCN(CC)CC(=O)N(CCO)CCNc1ccc(C#N)nn1 1111480792 JVNJXFBQHIQUKM-UHFFFAOYSA-N 320.397 -0.077 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)CNC(C)=O)C[C@@H](C)O2 1111533661 LWTOQUUWEZFIOD-CYBMUJFWSA-N 307.394 -0.162 30 20 DBED CN(C)CCC(=O)NC[C@H]1COCCN1c1cnc(C#N)cn1 1111719885 XYCCTWHDXKCTCF-ZDUSSCGKSA-N 318.381 -0.379 30 20 DBED Cc1ccc(C(=O)N2CCN(CC(=O)NCC#N)CC2)cn1 1112611905 JQATXHOYRDIVEU-UHFFFAOYSA-N 301.350 -0.212 30 20 DBED C=CCCO[C@@H](C)C(=O)N1CCN(CC(=O)NC(N)=O)CC1 1112671636 NRPJWPNZERMDBX-NSHDSACASA-N 312.370 -0.693 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)[C@H](COC)OC)CC1 1113320695 KOTDDADRPAJDLV-STQMWFEESA-N 313.398 -0.517 30 20 DBED Cc1nc(CC(=O)N2CCN(CC(=O)NCC#N)CC2)cs1 1113612736 QAVZYXCMTWFBII-UHFFFAOYSA-N 321.406 -0.222 30 20 DBED C[C@H]1CCN(c2nccnc2C#N)C[C@@H]1NC(=O)CC(N)=O 1114007057 CMGQBLRFYORRIL-ONGXEEELSA-N 302.338 -0.445 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)c3cn(C)cn3)[C@H]2C1 1114136186 DQQZIXYWXWBRFA-CIQGVGRVSA-N 315.377 -0.782 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3csnc3C)[C@H]2C1 1114147115 QEZPCNGJTOHSNK-YABSGUDNSA-N 318.402 -0.139 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1[C@@H]2CN(CC[C@@H]3CCCO3)C[C@@H]21 1114159718 KINMHQUYPAMUGN-SZOQZIPDSA-N 319.405 -0.259 30 20 DBED C#CCN1C[C@H]2C(NC(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)[C@@H]2C1 1114593433 WWMVYGPTOKGQDQ-LPWJVIDDSA-N 305.378 -0.521 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)CCCN(C)C)[C@H]2C1 1114743964 UBFFIJSHBUVQJX-STQMWFEESA-N 308.426 -0.323 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)C3(CF)CC3)[C@@H]2C1 1114819910 XIPKYAHCRIPSPC-QJPTWQEYSA-N 307.369 -0.080 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)Cc3nonc3C)[C@H]2C1 1115049869 NPXNFNOXRPEZFA-JYAVWHMHSA-N 304.350 -0.383 30 20 DBED COCC#CCN1C[C@@H]2C(NC(=O)c3c[nH]c(C)cc3=O)[C@H]2C1 1115065105 IQNPJENBOVGHCT-KBPBESRZSA-N 315.373 -0.007 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)CN(C)C(C)C)[C@H]2C1 1115300747 YUYYUNGFKZDWRP-IHRRRGAJSA-N 320.437 -0.489 30 20 DBED Cc1nc(NCCCOCCNC(=O)C(N)=O)ccc1C#N 1115447628 UQBKTTLVQUMUPK-UHFFFAOYSA-N 305.338 -0.318 30 20 DBED C[C@](C#N)(NC(=O)CN1C(=O)N[C@]2(CCOC2)C1=O)C1CC1 1116379207 VKORFWTXLNFOSH-KGLIPLIRSA-N 306.322 -0.494 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCO[C@]2(CCO[C@@H]2C)C1 1117391322 OYFQGMWHPVOZNF-IUODEOHRSA-N 310.350 -0.841 30 20 DBED N#C[C@H]1CC[C@@H](NC(=O)C(=O)Nc2cccc(C(N)=O)n2)C1 1118106260 VSLIHTQLISCLAY-DTWKUNHWSA-N 301.306 -0.073 30 20 DBED CC(C)N1CCC(NC(=O)C(=O)N2CC[C@](O)(CC#N)C2)CC1 1118207875 ULUGCVYIGHISOG-MRXNPFEDSA-N 322.409 -0.148 30 20 DBED COC[C@H]1C[C@@H](O)CN1C(=O)C(=O)N1CCC[C@@H](CC#N)C1 1118464315 AIIUIKOZQYLROC-YNEHKIRRSA-N 309.366 -0.253 30 20 DBED CCN[C@H](C)CNC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1119350647 GFOAMDYHCKWMEL-YPMHNXCESA-N 307.398 -0.701 30 20 DBED C[C@](O)(CC(=O)NC[C@@H](CO)Nc1cnc(C#N)cn1)C1CC1 1121338699 AZXFRSJUXLHSPB-WFASDCNBSA-N 319.365 -0.212 30 20 DBED Cc1nc(N[C@H](CO)CNC(=O)[C@@H]2COC(=O)N2)ccc1C#N 1121385614 IDWFJEFQNBMVMU-QWRGUYRKSA-N 319.321 -0.741 30 20 DBED N#Cc1nccnc1N[C@@H](CO)CNC(=O)[C@@H]1CCCCO1 1121454304 IGYKNISMRZKUAP-PWSUYJOCSA-N 305.338 -0.194 30 20 DBED C=CCn1c(CCC)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1121515067 IGKFMVINHIEFHR-NSHDSACASA-N 318.381 -0.436 30 20 DBED N#Cc1nccnc1N[C@@H](CO)CNC(=O)Cc1ccc[nH]1 1121622955 JRXDGQXQQGGPRB-LLVKDONJSA-N 300.322 -0.192 30 20 DBED Cc1ccc(C#N)c(N[C@H](CO)CNC(=O)c2cnn(C)n2)n1 1121771905 ZFDKFUFAHGCEMT-NSHDSACASA-N 315.337 -0.407 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H](CO)Nc1nccnc1C#N 1122034764 DNXGDSJPUKTGCU-MNOVXSKESA-N 303.322 -0.724 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@@H](CO)Nc1ncccn1 1122037149 UMACYBWJYCEWEC-STQMWFEESA-N 321.381 -0.164 30 20 DBED N#Cc1nccnc1N[C@@H](CO)CNC(=O)[C@@H]1[C@H]2COC[C@H]21 1122372461 PCTGFANTBLAHFO-SVDPJWKOSA-N 303.322 -0.870 30 20 DBED Cc1nc(C)c(C(=O)NC[C@H](CO)Nc2cncc(C#N)n2)[nH]1 1122593029 KBMKWQBFSPPSMI-LLVKDONJSA-N 315.337 -0.109 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]cc1C#N)C(=O)C1=COCCO1 1124071741 FPRRURXCPCODJO-LBPRGKRZSA-N 318.333 -0.505 30 20 DBED COC[C@@H](C)C(=O)N(C)C[C@H](O)CN(C)c1ccc(C#N)nn1 1124989441 WMSLEOXVDWLQTF-DGCLKSJQSA-N 321.381 -0.114 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)[C@@H]1[C@H]2CCC[C@H]21 1125353967 DYWKBBFRPUVGJE-PJXYFTJBSA-N 308.382 -0.250 30 20 DBED N#Cc1nccc(N2CC=C(CNC(=O)Cn3cncn3)CC2)n1 1127649406 OVNYWSUVFDSXSR-UHFFFAOYSA-N 324.348 -0.107 30 20 DBED C[C@@H](C#N)C(=O)NCc1cnn2c1CN(CCOCCO)CC2 1128265342 XRMIWMISZURSLJ-LBPRGKRZSA-N 321.381 -0.517 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1 1128656525 GECKARINELSYDP-GFCCVEGCSA-N 322.409 -0.911 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1cnn(C)c1Cl 1130306517 ZMHTWARVNLLTOA-VIFPVBQESA-N 311.773 -0.469 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CCn2cncc2C1 1130407170 KSJIHKYVPMIOGZ-CHWSQXEVSA-N 317.393 -0.711 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1ccnc(OC)c1 1130715633 CXXGBMKNMGAISC-LLVKDONJSA-N 304.350 -0.453 30 20 DBED CC(C)(C)C#CC(=O)N1C[C@H]2C[C@@H]3CN(CC(N)=O)C[C@]2(C1)O3 1131227125 HUYQOEXSDSGVIW-PBFPGSCMSA-N 319.405 -0.177 30 20 DBED C=CCC[C@H](C)N1CCNC(=O)CCN(C(=O)C(N)=O)CC1 1131376815 KXQCZGQSDDKCLU-LBPRGKRZSA-N 310.398 -0.523 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)Cc1c(C)nn(C)c1C 1132046949 HIGTTXHQQWGLMY-LBPRGKRZSA-N 321.425 -0.024 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@H]1CCn2c(cnc2C)C1 1133865267 BPODUBDOIBRWHP-ZDUSSCGKSA-N 317.393 -0.791 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)C[C@H](C)NCC(=O)NC(C)C 1134131384 VMSLIJONZACIGA-QWHCGFSZSA-N 324.425 -0.477 30 20 DBED C[C@@H](C[C@H](C)NC(=O)c1ccc(C#N)[nH]1)NCC(=O)NC(N)=O 1134157067 URTFQJJGNCSCNV-IUCAKERBSA-N 320.353 -0.432 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)c1ccnnc1 1134284433 ZTRFSYVVLGUUKI-UHFFFAOYSA-N 304.354 -0.442 30 20 DBED COCC#CCN[C@H](C)C[C@H](C)NC(=O)CCS(C)(=O)=O 1134748821 NNKCUDHFKJPBKZ-OLZOCXBDSA-N 318.439 -0.056 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)[C@@H](CC(=C)C)NC(C)=O 1134821281 MXJMVTNWSHBWPL-GXTWGEPZSA-N 324.425 -0.146 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)COCC(F)F 1135071449 TUVCWRNGLBNJLX-QWRGUYRKSA-N 319.352 -0.110 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)CN(C)CCC 1135976942 OLPLJALQKQHHLP-KBPBESRZSA-N 310.442 -0.050 30 20 DBED CC[C@@H](F)C(=O)NC[C@@H]1CN(CC(=O)NCC#N)CCCO1 1150149355 QLNKYDFBCWCLMF-VXGBXAGGSA-N 314.361 -0.419 30 20 DBED COCC#CCNCCNC(=O)Cn1c(=O)oc2ccccc21 1150690176 COCLKICZPVLWFB-UHFFFAOYSA-N 317.345 -0.050 30 20 DBED C=CCNC(=O)CNCCNC(=O)C(=O)Nc1ccc(C)cc1 1150790091 ZFXCOOKNPBJMMY-UHFFFAOYSA-N 318.377 -0.058 30 20 DBED C=CCNC(=O)NC(=O)CNCCCNC(=O)c1cccn1C 1154712225 MQTFPUKEKKVXAF-UHFFFAOYSA-N 321.381 -0.254 30 20 DBED N#Cc1ccc(CNCCCNC(=O)[C@H]2CNC(=O)N2)cc1F 1165469505 ZJMIYJMNJZLOHC-CYBMUJFWSA-N 319.340 -0.025 30 20 DBED C#CCCNCCCC[C@H](C)NC(=O)[C@@H]1CCS(=O)(=O)N1 1176639207 PNCUEFUTYSNCHU-STQMWFEESA-N 315.439 -0.034 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)CCCC(=O)NC)C[C@H]21 1176994110 JZQKVNJKAMKYJT-KGLIPLIRSA-N 307.394 -0.162 30 20 DBED CC(C)[C@@H](O)C(=O)NCCCCCCNCC(=O)NCC#N 1178384233 NVFLIXOUTCMRFP-CQSZACIVSA-N 312.414 -0.091 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC[C@H]2CN(CC(=O)NCC#N)C[C@H]21 1187755568 OTZKFDOXYSFEBP-WOSRLPQWSA-N 320.393 -0.514 30 20 DBED CCc1ncncc1C(=O)N1CC[C@@H](NCC(=O)NCC#N)C1 1187871838 PSUJIDIPAHSNSW-LLVKDONJSA-N 316.365 -0.517 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)Cc2ccoc2)C1 1192429668 OQGKWCAMYNKAGF-MRVWCRGKSA-N 321.377 -0.326 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(Cc2ccn(C)n2)C[C@H]1O 1192531414 VUZGCDZVGNESDK-NFAWXSAZSA-N 308.382 -0.592 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)C[C@@H](C)N2CCCCC2=O)C1 1192944993 XQEYKOHUYSYDHJ-RBSFLKMASA-N 321.421 -0.038 30 20 DBED CN(CC(=O)NCC#N)[C@@H]1CCN(C(=O)c2cccnn2)C1 1192998228 HFSUZZYVLRTCJV-LLVKDONJSA-N 302.338 -0.737 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)COCc2nccn2C)C1 1193986432 CEBZSPBQZXPLPR-CHWSQXEVSA-N 308.382 -0.326 30 20 DBED C=CCCOCC(=O)N1CC[C@H](N(C)Cc2nnnn2C)C1 1194382048 STKRTFXHCUNWKN-LBPRGKRZSA-N 308.386 -0.165 30 20 DBED N#CCNC(=O)CNC1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 1200103616 GPQOFDUIDBIYFT-UHFFFAOYSA-N 314.349 -0.280 30 20 DBED N#CCNC[C@@H]1CN(C(=O)CNC(=O)N2CCCC2)CCCO1 1200499857 CPDSHVNSVZSZRJ-CYBMUJFWSA-N 323.397 -0.478 30 20 DBED COCC#CCNC1CCN(C(=O)c2nnc(O)nc2O)CC1 1201462226 OPMHOPAQWVKPEN-UHFFFAOYSA-N 321.337 -0.873 30 20 DBED C=CCNC(=O)[C@@H](C)NC1CCN(C(=O)[C@H]2CCNC2=O)CC1 1201966242 BZTBKOINEJDJGA-YPMHNXCESA-N 322.409 -0.606 30 20 DBED COCC#CCN[C@H]1C[C@@H](NC(=O)Cn2nccn2)C12CCC2 1202961141 VIQXFFYSOUKMGN-UONOGXRCSA-N 317.393 -0.055 30 20 DBED CCNC(=O)NC(=O)CN1C[C@@H](NC(=O)[C@@H](C)C#N)[C@H](C)C1 1206640605 IGKYPXXNQWWSHN-HBNTYKKESA-N 309.370 -0.572 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)CN2CCOCC2)[C@H](C)C1 1206881173 SAWKVNPMRABBEW-ZIAGYGMSSA-N 324.425 -0.943 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(CC(=O)NCCC)C[C@H]1C 1206963440 DXGDJLZMEANNQZ-HZSPNIEDSA-N 309.410 -0.013 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)COCCOC)C1 1207693337 PAXBVNGMIORHNS-CYBMUJFWSA-N 313.398 -0.468 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)[C@@H]1CCCCN1C 1207708792 JMHAUBCTELVHIH-MCIONIFRSA-N 321.425 -0.453 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1NC(=O)CNC(=O)c1cscn1 1210088193 GCACJYBCACKGQR-NXEZZACHSA-N 307.379 -0.167 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)c2c(C)n[nH]c2C)C1 1210163522 CBBVYEAUZCTQJA-CYBMUJFWSA-N 317.393 -0.030 30 20 DBED C=CCOCCN1C[C@@H](NC(=O)[C@@H]2CCC(=O)N2)[C@H](OC)C1 1213750202 YKNUQUNGWZNOEQ-YNEHKIRRSA-N 311.382 -0.717 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)CCn2ccnn2)C[C@H]1C 1214512469 URXVAGDTRIWIQX-CHWSQXEVSA-N 320.397 -0.593 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1C 1216707178 TZDGWMYWBQKFKO-JHJVBQTASA-N 320.397 -0.595 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)/C=C/C(C)(C)C)C1 1219371648 YGIYNHLTFTTWQM-VCJLAFMASA-N 321.421 -0.112 30 20 DBED C=CCN1CC[C@@H](N2C[C@H](O)[C@H](NC(=O)/C(C)=C/C)C2)C1=O 1219443342 OIKBVJDSRADPNC-YQUHTDHPSA-N 307.394 -0.099 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2CN(CCC[C@@H](C)O)C[C@@H]2O)c1 1220315035 QIUXFVLMQREEJS-WQVCFCJDSA-N 317.389 -0.001 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C[C@H](C)COC)C1 1220650059 VVLXGNAIHMGDFO-XQQFMLRXSA-N 313.398 -0.878 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)CCCCC(N)=O)C1 1220724033 LHQVNKNIIHKTGX-MNOVXSKESA-N 303.790 -0.054 30 20 DBED COCC#CCN1CC[C@@H]2CN(C(=O)[C@@H](COC)OC)[C@@H]2C1 1221805871 LWELXARUZWHCRH-RBSFLKMASA-N 310.394 -0.170 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC(CNC(=O)c2cn[nH]c2)CC1 1222446000 QYRGBSHSCLKIPJ-GFCCVEGCSA-N 317.393 -0.011 30 20 DBED CC#CCN1CCC(CNC(=O)CN2CC(=O)NC2=O)CC1 1224872886 VUWVKHNTBZPSHR-UHFFFAOYSA-N 306.366 -0.610 30 20 DBED C#CCO[C@@H](C)C(=O)NC1CCN(CC(=O)NC(=O)NC)CC1 1227342637 SHQQGZBMMFECHJ-NSHDSACASA-N 324.381 -0.939 30 20 DBED C=CCOCCN1CCC(NC(=O)c2nnc(O)nc2O)CC1 1228169413 ULUVNVSWSGCECJ-UHFFFAOYSA-N 323.353 -0.320 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CC(=O)N(C)C 1228998426 DLMZUHVNZDJUBB-CHWSQXEVSA-N 322.409 -0.769 30 20 DBED CN(C[C@@H]1CCN1CC(=O)NCC#N)C(=O)COC(C)(C)C 1233802578 XECXNGNPGCYFLL-LBPRGKRZSA-N 310.398 -0.026 30 20 DBED C#CCNC(=O)CC(=O)N(C)C[C@@H]1CCN1CC(=O)N(C)CC 1233809719 NCDQKPNMFJDAEX-ZDUSSCGKSA-N 322.409 -0.863 30 20 DBED C=CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)c1cncnc1 1233820348 ZEXSPBLIGVBXAS-CYBMUJFWSA-N 303.366 -0.075 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@H]1CN(C)C(=O)c1cn(C)nn1 1234051830 WSVUFYVDKFGYPY-NEPJUHHUSA-N 318.381 -0.901 30 20 DBED C=CCOCC(=O)NCCCN(C)[C@@H](C)C(=O)NC(N)=O 1235697699 DYVFSBOBUNTGOE-JTQLQIEISA-N 300.359 -0.790 30 20 DBED CN(C)C[C@@](C)(C#N)NC(=O)[C@H]1CC(c2cnn(C)c2)=NO1 1262798906 NXWCDCVIJUWBLC-TZMCWYRMSA-N 304.354 -0.127 30 20 DBED C[C@@H](CNC(=O)C(=O)N1CCC(C)(C#N)CC1)S(C)(=O)=O 1323010634 MGLNOFFSYVEXFW-JTQLQIEISA-N 315.395 -0.312 30 20 DBED C[C@@]1(C#N)CCCN(C(=O)C(=O)NCc2nnnn2C2CC2)C1 1323563503 SRVUJFWDYLCFHR-AWEZNQCLSA-N 317.353 -0.224 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)NCCC(=O)N2CCCCC2)CCO1 1324726042 NUTGATWHRJILPW-LBPRGKRZSA-N 322.365 -0.744 30 20 DBED Cc1cc(NC(=O)C(=O)N2C[C@H](O)[C@@H](CO)C2)ncc1C#N 1327085930 YBACPDFOGFLIKD-MNOVXSKESA-N 304.306 -0.988 30 20 DBED C#C[C@@H](NC(=O)C(=O)NCc1cn(CC)nn1)[C@H]1CCCO1 1330998304 KCSZIWWQUMIYJO-VXGBXAGGSA-N 305.338 -0.789 30 20 DBED COC(=O)[C@H](C)N(C)C(=O)CCN/C(O)=C1/N=CC=CC1=O 1331809581 PQZHYNSQZCNUAJ-LZTQFINJSA-N 309.322 -0.077 30 20 DBED C=C(C)[C@H]1OCC[C@@H]1Cn1nnnc1N1CCN(C)C(=O)C1 1334255950 QRSVMVUWQHNRBF-DGCLKSJQSA-N 306.370 -0.067 30 20 DBED N#C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H]3NC(=O)CC[C@@H]3C2)C1 1336528665 DRQOKKUYCRFOOJ-YNEHKIRRSA-N 318.377 -0.124 30 20 DBED C#Cc1ccc(NC(=O)C(=O)NCCOCC(=O)OC)cc1 1336856257 HWPQIQVBSZLSBZ-UHFFFAOYSA-N 304.302 -0.088 30 20 DBED COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)N(C)CC#N 1337342559 BUKVKTMCYMRRQK-UHFFFAOYSA-N 313.335 -0.053 30 20 DBED Cc1noc(C)c1CCNC(=O)C(=O)N1CCO[C@@H](C#N)C1 1341939132 YZYDSIMUKUCYPS-NSHDSACASA-N 306.322 -0.299 30 20 DBED C=C(C)Cn1c(C[C@@H](C)O)nnc1N1CCN2C(=O)NC[C@H]2C1 1342784412 QOOUITGDKDVDNX-NEPJUHHUSA-N 320.397 -0.009 30 20 DBED C#CCN(CC1CC1)C(=O)C(=O)Nc1cccc(C(N)=O)n1 1343365493 BFHXANZEZPZFJS-UHFFFAOYSA-N 300.318 -0.009 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)NCC1CC2(C1)OCCO2 1351643877 XKXRQFVPEQKRDU-UHFFFAOYSA-N 304.346 -0.259 30 20 DBED CN1CCC(CN(C)C(=O)Cn2cc(C#N)c(O)nc2=O)CC1 1362101248 SUXPHKDUONHXJM-UHFFFAOYSA-N 319.365 -0.379 30 20 DBED N#Cc1cn(CC(=O)N[C@H]2CCCC23OCCO3)c(=O)nc1O 1362686717 JFBUGIFSRHIFSF-JTQLQIEISA-N 320.305 -0.768 30 20 DBED C[C@@H](C(=O)N1CCN[C@@H](c2cnn(C)c2)C1)n1cnc(C#N)n1 1363407149 NSOBZTLPWPGVDI-CMPLNLGQSA-N 314.353 -0.383 30 20 DBED CN(Cc1nnc2c(=O)[nH]ccn12)C(=O)NCC1(C#N)CC1 1364600871 DSJUEYHITDLBGX-UHFFFAOYSA-N 301.310 -0.137 30 20 DBED CC(C)(C#N)CS(=O)(=O)N1CCC(C(=O)NCCO)CC1 1365447570 RJBAOWUIHFNMDP-UHFFFAOYSA-N 317.411 -0.314 30 20 DBED CCn1nncc1C(=O)NCCN(CCOC)C(=O)[C@@H](C)C#N 1371132685 FWLJEXXRCHTWAS-NSHDSACASA-N 322.369 -0.338 30 20 DBED CCN(CCC#N)C(=O)CN1CC(NC(=O)Cc2cc[nH]n2)C1 1373423843 ZPHNWLLRHFIWNQ-UHFFFAOYSA-N 318.381 -0.485 30 20 DBED C[C@H](CNC(=O)c1cc(C#N)c[nH]1)CNC(=O)[C@H]1COC(=O)N1 1391217358 IWHPCXVUQGUUTQ-LDYMZIIASA-N 319.321 -0.523 30 20 DBED C[C@H](C#N)C(=O)N(C)C[C@H]1CCCN1C(=O)CCNC(N)=O 1411273133 XECLZCNFGGEFCJ-GHMZBOCLSA-N 309.370 -0.346 30 20 DBED CC(C)C[C@H](CNC(=O)[C@H](C)C#N)NC(=O)CS(C)(=O)=O 1416502439 ITCMHDGBSRVTLD-GHMZBOCLSA-N 317.411 -0.162 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNCC(=O)Nc1nccs1 1422265626 NKKDROWNZHXWAL-DTWKUNHWSA-N 311.367 -0.692 30 20 DBED CCC1(O)CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)CC1 1433730456 DJGOWUWDWFIYCM-UHFFFAOYSA-N 306.322 -0.416 30 20 DBED COCCN(CCNC(=O)[C@H]1CCCN1C)C(=O)[C@@H](C)C#N 1444952492 DFTHNLALLLMBBE-QWHCGFSZSA-N 310.398 -0.169 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]1CN(C)C(=O)CCN1CCOCC1 1452856701 BCVMUFXIOVMIQB-ZIAGYGMSSA-N 322.409 -0.072 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCN(CCCS(C)(=O)=O)C1 1481702092 BLHAFEKQVQFLNB-CYBMUJFWSA-N 316.423 -0.349 30 20 DBED C=C(Cl)CNC[C@H](O)CNC(=O)c1cc(C(N)=O)c[nH]1 1482783233 XXBYABZBIZYTGJ-VIFPVBQESA-N 300.746 -0.454 30 20 DBED C#CCNC(=O)CN[C@@H](C)CCNC(=O)Cc1cncn1C 1492110640 MOTUOXRKKYOVIU-LBPRGKRZSA-N 305.382 -0.804 30 20 DBED CCCn1c(C)nnc1CNC[C@@H](O)CNC(=O)[C@H](C)C#N 1496954509 HLZIFWPTWUXLSY-ZYHUDNBSSA-N 308.386 -0.277 30 20 DBED C[C@@H](C#N)C(=O)NCC(C)(C)CN(C)C(=O)Cn1cnnn1 1508641884 ZAWXQUGKJRDPKR-JTQLQIEISA-N 307.358 -0.566 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNc1ccc(-c2nn[nH]n2)nc1 1573576567 HNYCXXXDEFCTHH-WPRPVWTQSA-N 316.325 -0.690 30 20 DBED C[C@@](O)(CNS(=O)(=O)Cc1csc(C#N)c1)C(=O)O 1573582983 QFLXKGWOSMIENG-SNVBAGLBSA-N 304.349 -0.125 30 20 DBED C=CC1(CC(=O)NCCN/C(O)=C2/N=CC=CC2=O)CNC1 1574879989 MZNNXEICYRKBCK-YPKPFQOOSA-N 304.350 -0.205 30 20 DBED C[C@@H](CNCC(=O)NCc1cnn[nH]1)NC(=O)C#CC(C)(C)C 1577134427 DZODLUUDMKSLJN-NSHDSACASA-N 320.397 -0.435 30 20 DBED C#CC[C@H](NS(=O)(=O)c1cn(CC)nc1[N+](=O)[O-])C(=O)O 1588428108 BKHULARNNKGIRX-ZETCQYMHSA-N 316.295 -0.434 30 20 DBED C#CCOCCC(=O)NC[C@H]1C[C@H](NC(=O)[C@H]2C[C@H]2C(=O)O)C1 1588489586 FRCOGIMNDVIPCD-ZDEQEGDKSA-N 322.361 -0.242 30 20 DBED C=C(CCC(=O)O)C(=O)NC[C@@]1(CO)COC[C@@H]2CCCN21 1588629693 INSPKBYQUFXZNC-SWLSCSKDSA-N 312.366 -0.251 30 20 DBED C=CCN1CC[C@H](N2C(=O)N[C@](C)(CCC(=O)O)C2=O)C1=O 1588838431 DVSFAVAVASWTBI-LKFCYVNXSA-N 309.322 -0.051 30 20 DBED C=CCOC[C@@H](NC(=O)CN(C)S(=O)(=O)CC)C(=O)O 1588854312 VPSNJHOVOCOFDV-SECBINFHSA-N 308.356 -0.960 30 20 DBED N#CC[C@@]1(O)CCN(S(=O)(=O)c2scnc2C(=O)O)C1 1601063499 XDIBVFGYILIJCL-SNVBAGLBSA-N 317.348 -0.120 30 20 DBED COC(=O)[C@@H]1CN(c2cnc(C#N)c(-c3nn[nH]n3)n2)C[C@H]1C 1604959149 ZMPCSLKOIMRIBC-HTQZYQBOSA-N 314.309 -0.226 30 20 DBED N#Cc1ccc(NCC(=O)N2CCN(C(=O)C(=O)O)CC2)nc1 1605612464 LUZKMGJARIDFDU-UHFFFAOYSA-N 317.305 -0.879 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@](C)(C(=O)O)C2)C1=O 1609373797 QSGYADZMOSDOHT-CQSZACIVSA-N 323.305 -0.714 30 20 DBED O=C1CN(CC/N=C2/NS(=O)(=O)c3ccccc32)CCN1 1645665732 YFMMOPKKIQZMOB-UHFFFAOYSA-N 308.363 -0.843 30 20 DBED N#Cc1ncccc1S(=O)(=O)NC[C@@H](O)CN1CCCC1=O 1649772654 FJODXCUXVPWUIR-SNVBAGLBSA-N 324.362 -0.785 30 20 DBED C=C(Cl)Cn1nnnc1N1CCN(C(C)(C)C(N)=O)CC1 1650105510 IUCQSFOHIKOPQO-UHFFFAOYSA-N 313.793 -0.189 30 20 DBED C=CCNC(=O)[C@@H](C)N(C)CCCNC(=O)[C@H]1CCC(=O)NC1 1752007343 CZJWZEZIKDHISI-OLZOCXBDSA-N 324.425 -0.359 30 20 DBED C#CCNC(=O)CN(C)CCCNC(=O)[C@H](C)[C@H]1CCC(=O)N1 1752071204 UNNRCMMGMSWREQ-CHWSQXEVSA-N 322.409 -0.911 30 20 DBED CS(=O)(=O)CCN1CC[C@@H](CNC(=O)CSCC#N)C1 1753119855 PNNGNPLCZKPPOJ-NSHDSACASA-N 319.452 -0.274 30 20 DBED C#CCNC(=O)CN(C)C[C@H]1CCN(C(=O)[C@H](C)OCC#C)C1 1753349940 YXGZPWOMBBEUAH-LSDHHAIUSA-N 319.405 -0.446 30 20 DBED C#CCOCCC(=O)NCC1CN(C[C@H]2CCc3ncnn32)C1 1753403009 JOTPQMQHZZOPQX-CQSZACIVSA-N 317.393 -0.147 30 20 DBED C=CCNC(=O)CN1CC(CNC(=O)Cc2nonc2C)C1 1753412824 NGXLPDFAXIOWHW-UHFFFAOYSA-N 307.354 -0.729 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@@H](C)CNC(=O)c1cc[n+]([O-])cc1 1753612655 GTMLYEZSJAEWDT-OLZOCXBDSA-N 318.377 -0.587 30 20 DBED C#CCNC(=O)CNC[C@@H](C)N(C)C(=O)c1ccc(OC)nn1 1753719377 DHQPDWRWALQJPD-LLVKDONJSA-N 319.365 -0.715 30 20 DBED C#CCNC(=O)CNC[C@@H](O)CNC(=O)c1cc(Cl)c[nH]1 1753904600 MQCQEIDLEVZPTC-SNVBAGLBSA-N 312.757 -0.902 30 20 DBED C=CCN1CC[C@@H](NCCCN(C)C(=O)c2cnnn2C)C1=O 1754368850 VNVFROWHURISRG-GFCCVEGCSA-N 320.397 -0.346 30 20 DBED C#CCNC1CCN(CCNC(=O)CCn2ccnn2)CC1 1754848333 AXQOBRQEKHIEMF-UHFFFAOYSA-N 304.398 -0.528 30 20 DBED COc1nccc(C(=O)N[C@@]2(CO)CCCN(CC#N)C2)n1 1754855344 NOGDEGCWSUTAOJ-AWEZNQCLSA-N 305.338 -0.435 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC(C)(NCC(=O)NC(N)=O)CC1 1755127402 GJZRXGKCEIHNHJ-LLVKDONJSA-N 324.381 -0.810 30 20 DBED Cc1ccnc(CN[C@@H](CO)CNC(=O)CSCC#N)n1 1755624061 LNXOPCZEQJCIGF-LLVKDONJSA-N 309.395 -0.392 30 20 DBED CC(C)Cn1[nH]c(CC(=O)N(C)C[C@H](O)CNCC#N)cc1=O 1755783311 OUVDLZZIPPCPEE-CYBMUJFWSA-N 323.397 -0.693 30 20 DBED C#CCN(CCNC(=O)c1cc(=O)c(OC)c[nH]1)CCOC 1755839252 LXVHQMLWRJBUOC-UHFFFAOYSA-N 307.350 -0.305 30 20 DBED C=CCOCC(=O)NCC1CC(NC(=O)C2(NC(N)=O)CC2)C1 1755932390 QNMPTDUYYQXFNO-UHFFFAOYSA-N 324.381 -0.599 30 20 DBED C#CCOCCC(=O)N[C@H](C)CN(C)C(=O)[C@@H](C)NC(C)=O 1756429603 RULSRWXJDVVUHD-VXGBXAGGSA-N 311.382 -0.486 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H](CO)NC(=O)Cc1cccs1 1756520755 CWYPIKZYCBIETR-NEPJUHHUSA-N 324.402 -0.078 30 20 DBED C#CCN1CCC(C(=O)NC[C@H](CO)NC(=O)[C@@H](C)C#N)CC1 1756529200 YXVDSCHXGJSHLO-GXTWGEPZSA-N 320.393 -0.915 30 20 DBED CN(C[C@@H](O)CNC(=O)C#CC1CC1)C(=O)c1cncnc1O 1756668745 KQVPBXRLTOUTDR-NSHDSACASA-N 318.333 -0.855 30 20 DBED C[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)CC[C@@H]1CNC(=O)C(N)=O 1756938619 ARIJRTHTCAGVIA-VHSXEESVSA-N 317.349 -0.414 30 20 DBED CC(C)(F)C(=O)N1C[C@@H](O)[C@H](NC(=O)CSCC#N)C1 1756979054 GYZDREVTPPGTLD-RKDXNWHRSA-N 303.359 -0.321 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@H](O)[C@H](NC(=O)C2(CC)CC2)C1 1757208425 ICOBUWIZEXCWPA-XQQFMLRXSA-N 308.378 -0.097 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](NC(=O)CC2CC2)[C@H](O)C1 1757558781 GNHNLUQYGLDQEH-ZIAGYGMSSA-N 308.378 -0.096 30 20 DBED CN(C(=O)N[C@H](CCC#N)C(=O)O)[C@@H]1CCS(=O)(=O)C1 1777022007 CYUDGJHKNHTJEE-RKDXNWHRSA-N 303.340 -0.428 30 20 DBED C=CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CNC(=O)C1)CCO2 1783922702 YDDVLSHZNJCTNM-WBMJQRKESA-N 321.377 -0.472 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCSC(=N)N 1795589961 HZTXIDPYLAZFIX-DDFAGTSDSA-N 324.406 -0.774 30 20 DBED C=C1CC(C(=O)N2CCCC23CN(C(=O)[C@@H]2C[C@H](O)CN2)C3)C1 1841019299 DVFKDNHFDWXESZ-KBPBESRZSA-N 319.405 -0.121 30 20 DBED CC[C@@H](C)[C@H](N)C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1842896616 KTXDOHNCXUDJJN-RISCZKNCSA-N 321.377 -0.349 30 20 DBED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1846743563 IMROHCNWCLYCNE-YABSGUDNSA-N 318.329 -0.830 30 20 DBED CC(C)[C@](C)(C#N)NC(=O)COC(=O)Cn1ccc(=O)[nH]c1=O 18580180 CTCUAGNQPISTOW-AWEZNQCLSA-N 322.321 -0.866 30 20 DBED C#CCNC(=O)CN1CCN(CC(=O)N2CCCCC2)CC1 23267332 CYCPIZBZXLTVNQ-UHFFFAOYSA-N 306.410 -0.634 30 20 DBED Cn1c(N2CC[C@@H]3OCCC[C@@H]3C2)c(C#N)c(=O)n(C)c1=O 152410541 FTDBKYBEYRZAIS-PWSUYJOCSA-N 304.350 -0.039 30 20 DBED C[C@@H](NS(=O)(=O)c1ccc(C#N)nc1)C(=O)NCCF 282359673 PRKRLAFYPRHSMG-MRVPVSSYSA-N 300.315 -0.294 30 20 DBED O=C(NCC#CCO)[C@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 293809477 CKAWGUVUIGHNGD-KBPBESRZSA-N 306.362 -0.461 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 294890784 IRLWZTAHIJZWJZ-KBPBESRZSA-N 307.394 -0.210 30 20 DBED C=CCN(CC(=O)OCC)C(=O)Cn1ccc(=O)n(C)c1=O 316494721 PQCYFNJPJUWGRZ-UHFFFAOYSA-N 309.322 -0.875 30 20 DBED CN(C)S(=O)(=O)CCCS(=O)(=O)N[C@H]1CCC[C@@H]1C#N 331335189 JUHYSIDSMURFIB-MNOVXSKESA-N 323.440 -0.120 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)NC[C@@H](O)C1CCOCC1 337971951 PQEKVOXJZNIGIV-ZYHUDNBSSA-N 305.400 -0.158 30 20 DBED O=C(CCn1c(=O)nc(O)c2ccccc21)NCC#CCO 339183553 ARFQVRQGSQKLFE-UHFFFAOYSA-N 301.302 -0.396 30 20 DBED COC(=O)CN(CC#N)C(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O 340560786 ZSPZYULZVSEDSV-PHIMTYICSA-N 319.317 -0.537 30 20 DBED N#Cc1ncn(CC(=O)NCCNC(=O)NC2CCCCC2)n1 342923733 RPJCSDDHQMGVOY-UHFFFAOYSA-N 319.369 -0.102 30 20 DBED CS(=O)(=O)CC(=O)N(CCC#N)CCN1CCOCC1 343061486 BJDXGNURPWVGPL-UHFFFAOYSA-N 303.384 -0.895 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCc2cnn(C)c2)C1=O 343196309 XICRTYFSOWXGOE-LBPRGKRZSA-N 319.365 -0.718 30 20 DBED CCNC(=O)c1ccc(CNC(=O)NCC(=O)NCC#N)cc1 344266195 PCBRNEDVGUJHBC-UHFFFAOYSA-N 317.349 -0.125 30 20 DBED C=CCNC(=O)CNC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccnn1C 345661741 WRFDPYGBDMVFML-YGRLFVJLSA-N 319.365 -0.642 30 20 DBED C=CCOC[C@@H]1NC(=O)N([C@@H](C)CS(=O)(=O)CC)C1=O 348580574 BLRMWPSSAYAMOM-UWVGGRQHSA-N 304.368 -0.067 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N[C@H](CO)C2CCCC2)CCO1 352592176 BPJNQVPPACSCEJ-VXGBXAGGSA-N 303.384 -0.404 30 20 DBED CN(CC#N)CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21 357061926 SOSALMCZNULCJB-UHFFFAOYSA-N 308.363 -0.322 30 20 DBED C=CCS(=O)(=O)NC(=O)[C@H]1CCCN(S(=O)(=O)CC)C1 408271702 YHWWZSBAEBCISI-JTQLQIEISA-N 324.424 -0.320 30 20 DBED CC[C@H](C)[C@H](O)CNC(=O)C(=O)Nc1ccn(CCC#N)n1 444586953 STLIURFOEJCALZ-WDEREUQCSA-N 307.354 0.258 30 20 DBED C=CCOC[C@H](NC(=O)[C@H]1CSCN1C(C)=O)C(=O)O 455924911 YVVVWFBHLVAAJU-VHSXEESVSA-N 302.352 -0.320 30 20 DBED C#CCN(CC#CC)C(=O)CNS(=O)(=O)c1cn(C)c(C)n1 490691746 XITJIVXWJROXPU-UHFFFAOYSA-N 322.390 -0.508 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)Cc2ccn(C)n2)CC1 491775251 DQMJFBKHDZRRNL-UHFFFAOYSA-N 317.393 -0.754 30 20 DBED Cn1c(=O)c2cc(C(=O)NC3(C#N)CCC3)n(C)c2n(C)c1=O 522840095 BXQPBCNBGJSOPV-UHFFFAOYSA-N 315.333 -0.248 30 20 DBED CS(=O)(=O)NCCNS(=O)(=O)c1ccc(C#N)cc1F 524148986 WCSSFYZQHGHOOY-UHFFFAOYSA-N 321.355 -0.475 30 20 DBED CN(C)C(=O)CNC(=O)CNS(=O)(=O)c1cccc(C#N)c1 551806973 LQDVYAZUYMGJLP-UHFFFAOYSA-N 324.362 -0.959 30 20 DBED N#Cc1ccncc1N1CCN(CCC(=O)NC(N)=O)CC1 567544796 MSCNTNUHSZIRGX-UHFFFAOYSA-N 302.338 -0.340 30 20 DBED CN1C(=O)C(=O)N(CC(=O)N2CCC(CCC#N)CC2)C1=O 568751375 HGMMFTYDJKHIQM-UHFFFAOYSA-N 306.322 -0.051 30 20 DBED C[C@H](NS(=O)(=O)N1CCO[C@@H](C#N)C1)[C@@H]1CCCOC1 572137109 ZFNQAYFKRLZRFP-TUAOUCFPSA-N 303.384 -0.140 30 20 DBED C=CCn1c(O)nnc1S(=O)(=O)CCNC(=O)NC(C)C 577179179 UBWXMPHDOJETEJ-UHFFFAOYSA-N 317.371 -0.349 30 20 DBED C=CCOC[C@@H](NS(=O)(=O)N1CCOC(C)(C)C1)C(=O)O 578320475 VZHSVZIHRXAMTH-SNVBAGLBSA-N 322.383 -0.413 30 20 DBED C=CCSCCNC(=O)C(=O)N1CCN(C)C[C@H]1CN 580294100 UXKORUZRYASGLE-LLVKDONJSA-N 300.428 -0.877 30 20 DBED CN1CCC(n2ccc(NC(=O)NCC(=O)NCC#N)n2)CC1 588295728 UCRHGJCKNQYRMC-UHFFFAOYSA-N 319.369 -0.089 30 20 DBED CN(C)CCN(CC(=O)N(C)C)S(=O)(=O)N(C)CCC#N 594842954 KEOVKCOXHYAMBT-UHFFFAOYSA-N 319.431 -0.972 30 20 DBED CC(C)[C@H](C#N)N1CCN(C(=O)C2(n3cnnn3)CC2)CC1 597049443 MFTVFIPZYSNHBT-LBPRGKRZSA-N 303.370 -0.145 30 20 DBED N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@H]2C[C@H](O)C2)cc1 598529667 JNPMLLWDELQYPB-XYPYZODXSA-N 309.347 -0.524 30 20 DBED N#C[C@H](CO)NC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 598905416 VLMZASNUKPDJCW-SECBINFHSA-N 307.266 -0.283 30 20 DBED C=C[C@@H](O)C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 613332395 VEVBNWZGYHZMRA-VXGBXAGGSA-N 318.395 -0.814 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N(C)CC(=O)N1CCCC1 619706494 WSTMEXSEIBCGJA-NSHDSACASA-N 302.400 -0.123 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N[C@@H]2CCN(C3CC3)C2)CCO1 619708158 OADVPGJOJBLJNK-ZYHUDNBSSA-N 300.384 -0.718 30 20 DBED CC#CC[C@H](CO)NC(=O)N[C@@H](CC)CNS(C)(=O)=O 645526443 YTROFDOYXHUMCF-WDEREUQCSA-N 305.400 -0.612 30 20 DBED C#C[C@H](NC(=O)C1CCN(S(N)(=O)=O)CC1)[C@@H]1CCCO1 772881558 SDDFDPGIZDXMBX-RYUDHWBXSA-N 315.395 -0.801 30 20 DBED C#C[C@@H](NC(=O)NC1CCN(CC(=O)NC)CC1)[C@@H]1CCCO1 773192829 YTZBRUWDFRCWKE-KGLIPLIRSA-N 322.409 -0.323 30 20 DBED C#CCN1CCC(C(=O)N2CCN(CC(=O)OC)CC2)CC1 779549642 LNZTZPSSQQTIEW-UHFFFAOYSA-N 307.394 -0.351 30 20 DBED CC[C@@H](C#N)OC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 781186192 MZEHMIRFQPDHHZ-ZETCQYMHSA-N 314.323 -0.763 30 20 DBED C#CCNS(=O)(=O)N1CCN(Cc2cncc(C)c2)CC1 785479439 YXFHBBRYVZJWOJ-UHFFFAOYSA-N 308.407 -0.025 30 20 DBED N#C[C@]1(F)CCN(C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)C1 786668427 IKXJIPNWDVBYGN-CYBMUJFWSA-N 324.337 -0.052 30 20 DBED C#CCC[C@H](O)CNC(=O)C(=O)Nc1cc(C(=O)OC)n(C)c1 799284815 OORFNPYEXNHIKO-NSHDSACASA-N 321.333 -0.359 30 20 DBED COC(CN(CCCO)S(=O)(=O)N(C)C[C@@H](C)C#N)OC 800112843 DVMUGDGEOUOVBK-NSHDSACASA-N 323.415 -0.374 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N1CC(=O)N(C)C[C@@H]1C 800123194 RYSTYFZPNAONDL-MNOVXSKESA-N 302.400 -0.125 30 20 DBED O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCC[C@H]1C(=O)O 819691602 SAWULTNZHJOCPK-LZTQFINJSA-N 307.306 -0.022 30 20 DBED CN(C)c1nc(N)nc(COC(=O)[C@@](C)(C#N)CC(=O)O)n1 820554303 LXFMJUMRGMADLK-GFCCVEGCSA-N 308.298 -0.432 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)c2cn(CC)cn2)CC1 826549214 BMECOFTWDZCIQR-UHFFFAOYSA-N 317.393 -0.200 30 20 DBED CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)N[C@@H]1CNC[C@H]1C#N 834499926 ORTWGIWPUMZMMZ-HLTSFMKQSA-N 306.288 -0.083 30 20 DBED C#CCn1ccc(CN(CC)C(=O)C(=O)NC[C@H](C)C(=O)O)n1 848610459 NLZGNDMBBKYHBV-NSHDSACASA-N 320.349 -0.298 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N1CC[C@@H](N2CCOC2=O)C1 849438976 YKUQFPJUMMNHBA-GHMZBOCLSA-N 316.383 -0.151 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N1CCn2cncc2C1 850709798 HXLRIEBEPGXPML-UHFFFAOYSA-N 304.350 -0.276 30 20 DBED C#CCOc1cccc(NC(=O)C(=O)N[C@@H]2CCOC[C@H]2O)c1 862128031 XLFZOZFIPRKWQS-ZIAGYGMSSA-N 318.329 -0.097 30 20 DBED C#CCNS(=O)(=O)N1CCN(Cc2ccccc2O)CC1 895915729 IGGKJUWWXAURNQ-UHFFFAOYSA-N 309.391 -0.023 30 20 DBED CCN1CCN(CC(=O)[C@H](C#N)C(=O)N2CCCC2)C(=O)C1=O 916871242 KKHJUTKWWYTLEW-NSHDSACASA-N 320.349 -0.992 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)C(N)=O)C1 938602959 VJSPUFDRCDEVJW-TUAOUCFPSA-N 309.366 -0.488 30 20 DBED C[C@H](C#N)C(=O)N1CCC(C)(NC(=O)[C@H]2CCNC2=O)CC1 956444884 PMYDMVBGXGXHGL-MNOVXSKESA-N 306.366 -0.221 30 20 DBED C#CCCN1C[C@@H](O)[C@H](CNC(=O)c2cccc(=O)n2C)C1 958394709 IIVTXVMVLHIZJJ-TZMCWYRMSA-N 303.362 -0.569 30 20 DBED CC#CCN1C[C@H](CNC(=O)c2c3c(nn2C)CCC3)[C@@H](O)C1 958588837 YYGWWOULDCYQJW-WFASDCNBSA-N 316.405 -0.045 30 20 DBED C#CCCN1C[C@@H](O)[C@@H](CNC(=O)C2CCN(C(C)=O)CC2)C1 958657899 QDWGFPCKJRRAAH-JKSUJKDBSA-N 321.421 -0.323 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2cc(N(C)C)ccn2)C1 958740600 RNPKXIDRFGRRNJ-IUODEOHRSA-N 302.378 -0.197 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)c1cc(=O)n(C)o1 964179001 NCJIDAOEUIYSGM-UWVGGRQHSA-N 322.321 -0.905 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CN(C(=O)c3cn(C)nn3)CCO2)C1 965375550 VCLNTJXQKHXZKU-JTQLQIEISA-N 318.337 -0.972 30 20 DBED C[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)c1cnnn1C 966399485 MCNDJBZQLFHLNP-CMPLNLGQSA-N 301.350 -0.195 30 20 DBED CC#CCN1CC[C@@H](C)[C@H](NC(=O)Cn2nc(C)n(C)c2=O)C1 968602057 OUTOESVUVPNAOG-TZMCWYRMSA-N 319.409 -0.260 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)[C@@H]3COCCN3C)C2)C1 972347916 CNXIZCBLFXNNFC-HOCLYGCPSA-N 307.394 -0.747 30 20 DBED C#CCCN1CCO[C@@]2(CCN(C(=O)C[C@@H]3CCC(=O)N3)C2)C1 972594054 PQZORNIAYXRHBL-YOEHRIQHSA-N 319.405 -0.018 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]21 976742531 UKXNMNFJNPFOJM-SBJFKYEJSA-N 314.389 -0.183 30 20 DBED CN(C[C@@H]1CCN1C(=O)c1cc(C#N)c[nH]1)C(=O)c1nc[nH]n1 978191644 HCFLTGICSZDORB-JTQLQIEISA-N 313.321 -0.009 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]1CN(C)C(=O)c1c[nH]c(=O)cn1 978280211 NLMKVRFABHRKHD-NXEZZACHSA-N 303.322 -0.398 30 20 DBED CN(CC#N)[C@H]1CCN(C(=O)C[C@@]2(C)CCS(=O)(=O)N2)C1 980265324 SXBLCWTTXCAEIS-WCQYABFASA-N 314.411 -0.485 30 20 DBED C[C@@H]1[C@H](NCC#N)CCN1C(=O)Cc1ccc(C(N)=O)nc1 986416707 XCGXVYIDUYKHES-ZYHUDNBSSA-N 301.350 -0.174 30 20 DBED C#CCN1CC[C@@]2(NC(=O)CN3CCNC(=O)C3)CCC[C@@H]12 992085321 NPMPMXOUGFUEJQ-CJNGLKHVSA-N 304.394 -0.835 30 20 DBED CC#CCN1CC[C@@]2(NC(=O)CN3CC(=O)NC3=O)CCC[C@@H]12 992326820 GXBUXFZYWYZKGP-WBMJQRKESA-N 318.377 -0.325 30 20 DBED N#Cc1cc(C(=O)N2CC(NC(=O)[C@H]3CCCNC3=O)C2)c[nH]1 993996464 DBXNGPJBBVMMMD-LBPRGKRZSA-N 315.333 -0.647 30 20 DBED CC1(C)CN(C(=O)CCn2cnccc2=O)C[C@@H]1NCC#N 996460608 IEMWRNNUNHPAMX-LBPRGKRZSA-N 303.366 -0.016 30 20 DBED C#CCN1CCC([C@H](C)NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 997748153 GJGUKGIMCQHIIS-FPMFFAJLSA-N 307.394 -0.131 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H](NCCN2C(=O)CCC2=O)C1 998744262 ALSBNURXZBQCRX-VXGBXAGGSA-N 306.366 -0.124 30 20 DBED C#Cc1ccc(C(=O)NCC2CN(C(=O)c3[nH]nnc3C)C2)cn1 1003471979 RYIBFRPPHBGWAH-UHFFFAOYSA-N 324.344 -0.009 30 20 DBED CC#CCN1CCC[C@@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)C1 1008730078 YOWXPUQOKWSDBG-LLVKDONJSA-N 320.349 -0.989 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2C[C@@H](C)N(C(=O)CC(N)=O)C2)c1 1012406774 CXRVWSIHQQDRRO-ZWNOBZJWSA-N 314.345 -0.343 30 20 DBED O=C(NC1[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]12)C1CS(=O)(=O)C1 1013147797 GNLZVXUPUCAWRE-VXGBXAGGSA-N 322.386 -0.983 30 20 DBED C[C@@H]1OCCO[C@@H]1C(=O)NC1[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]12 1013318349 ZVRPHQSRQFNYHW-XQCUEUFKSA-N 318.373 -0.223 30 20 DBED C#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1COCCN1C(C)=O 1018291616 HSMNRWIEYMFHNK-QLFBSQMISA-N 305.378 -0.458 30 20 DBED C=CCN1CC[C@@H](N[C@H]2CCN(C(=O)c3cn(C)nn3)C2)C1=O 1018808430 KWPTVIXQIXDCIU-NWDGAFQWSA-N 318.381 -0.594 30 20 DBED C[C@H]1[C@@H](NC(=O)[C@@H]2CN(C)C(=O)N2)CCN1C(=O)C#CC1CC1 1020248201 MRRYPDKBLFHQFL-DRZSPHRISA-N 318.377 -0.471 30 20 DBED Cc1cnccc1CC(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1O 1023846640 MJFDVTQHJYKROC-ZLKJLUDKSA-N 316.361 -0.220 30 20 DBED CC(C)n1cnc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2O)c1 1024741435 FZTPLMQAGARQHC-NQBHXWOUSA-N 319.365 -0.075 30 20 DBED C=CCN1CCCC[C@@H]1CNC(=O)[C@@H]1CCS(=O)(=O)N1 1024806798 MMRRGXPQLDRNBQ-NEPJUHHUSA-N 301.412 -0.165 30 20 DBED O=C(N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O)c1n[nH]cc1F 1025507171 SMVKSBLGXHVNEH-GHMZBOCLSA-N 306.297 -0.736 30 20 DBED C#CCN1CCC(C(=O)NCC2CN([C@@H](C)C(N)=O)C2)CC1 1032207401 PLNDIXQKJQGFBU-LBPRGKRZSA-N 306.410 -0.747 30 20 DBED C#CCN1CC[C@H](N(CC)C(=O)c2cnc(O)n(C)c2=O)C1 1033918243 BEPRDUZPVDFYNM-NSHDSACASA-N 304.350 -0.345 30 20 DBED N#CCN1CCCC[C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C1 1034530822 FNFRIEJEFQRVLZ-GHMZBOCLSA-N 300.384 -0.828 30 20 DBED N#CCN1CCO[C@@H](CNC(=O)[C@@H]2CCc3nc[nH]c3C2)C1 1035572652 CZFXZJWOMPEDOW-NEPJUHHUSA-N 303.366 -0.145 30 20 DBED C#CCN1CCO[C@H](CNC(=O)c2c(OC)ccnc2O)C1 1035579642 LAQPYAIVTOYROR-LLVKDONJSA-N 305.334 -0.140 30 20 DBED CC#CCN1CCO[C@@H](CNC(=O)[C@H]2CCCN2C(C)=O)C1 1035620019 PESKTWWYALQCMD-LSDHHAIUSA-N 307.394 -0.162 30 20 DBED C=C(C)CN[C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C[C@H]1C 1036142345 KKWRKOQKYPDFKF-ZIAGYGMSSA-N 308.426 -0.179 30 20 DBED C=C(C)CN1C[C@H]2C[C@H]1[C@H]2NC(=O)c1cnc(O)n(C)c1=O 1037538022 FTPGOVUBQQQJCE-USWWRNFRSA-N 304.350 -0.136 30 20 DBED C=CCOc1cccnc1C(=O)N[C@@H]1[C@H]2C[C@H]1N(CC(N)=O)C2 1037668249 KXWQBXJCQZAJDZ-MISXGVKJSA-N 316.361 -0.066 30 20 DBED C=C(C)CN1C[C@H]2C[C@H]1[C@@H]2NC(=O)Cn1nc(C)n(C)c1=O 1037697937 PYTJESYQGLYARX-MBNYWOFBSA-N 305.382 -0.345 30 20 DBED CC#CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)Cn1nc(C)n(C)c1=O 1037698382 UVMSXZJXATXZDX-DYEKYZERSA-N 303.366 -0.898 30 20 DBED C#CCN[C@H]1CCN(C(=O)Cn2ncn(C)c2=O)C[C@H]1CC 1037867179 AAYOKDDUIVZOLX-OLZOCXBDSA-N 305.382 -0.568 30 20 DBED C#CCOc1ncccc1C(=O)NC[C@@H]1CCN1[C@@H](C)C(N)=O 1038928187 LENJGAQIGMSGTJ-RYUDHWBXSA-N 316.361 -0.229 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@]1(O)CCN(C(=O)C#CC2CC2)C1 1039579754 KBZFMAGYBAGKKX-DLBZAZTESA-N 320.389 -0.194 30 20 DBED N#CCN1CCC[C@]2(CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)C1 1040390195 HPGJFJBUHQEYLM-ZENOOKHLSA-N 320.393 -0.143 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)C2(N(C)C)CCC2)C1 1040759357 HUWFWHNGQVRNDD-WFASDCNBSA-N 322.409 -0.290 30 20 DBED C[C@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)CCCN(C)C)C1 1040759513 IYOVJGUFUUTGFD-DOMZBBRYSA-N 310.398 -0.433 30 20 DBED Cc1cnn(C)c1C(=O)N1CC[C@](O)(CNC(=O)[C@H](C)C#N)C1 1040770930 WBJRQXYIDKESRW-BMIGLBTASA-N 319.365 -0.419 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CCCO3)C2)nn1 1040931544 XXEVBNSQOORKTF-YNEHKIRRSA-N 317.349 -0.417 30 20 DBED Cc1[nH]ccc1C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1O 1040954886 DPDMLOHDMCFHAR-CHWSQXEVSA-N 312.333 -0.036 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)Cc3ccco3)C2)nn1 1041136528 FARPHPNZJFENNQ-CHWSQXEVSA-N 313.317 -0.150 30 20 DBED C[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1NC(=O)[C@H]1COCCO1 1041787540 UQPXOTJDEYBIJZ-RAIGVLPGSA-N 317.349 -0.295 30 20 DBED C=CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)c2cnc(C)[nH]2)C1 1042083325 UUCLSXYSCBLMDW-SNVBAGLBSA-N 322.365 -0.388 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)[C@@H]2CCN(C)C2)C1 1042940648 DMOHYGGBGGYQNU-CYBMUJFWSA-N 307.394 -0.713 30 20 DBED Cc1ncncc1C(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042959454 ZZQPTWMNWZFBDJ-UHFFFAOYSA-N 314.345 -0.498 30 20 DBED Cn1ccc(C(=O)N[C@@H]2CN(c3ccc(C#N)cn3)C[C@@H]2O)n1 1043971078 BLNZRZHTYMVIDR-OLZOCXBDSA-N 312.333 -0.334 30 20 DBED C#CCCN1C[C@H]2C[C@@H](NC(=O)CN3CCNC(=O)C3)C[C@H]1C2 1047123173 QTUVYQLQTIFDQQ-RRFJBIMHSA-N 318.421 -0.589 30 20 DBED CN(C(=O)Cc1ccc(C(N)=O)cc1)[C@H]1CN(CC#N)C[C@@H]1O 1047644171 AKUPRUHMIMWUFQ-KBPBESRZSA-N 316.361 -0.645 30 20 DBED C=CCCC(=O)N(C)[C@H]1CN(C(=O)c2cnnc(O)c2)C[C@@H]1O 1048531252 YRUOCHWOJMNRQV-RYUDHWBXSA-N 320.349 -0.208 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2ccncn2)C1 1049297599 YOTYWTWKIPUNAM-KBPBESRZSA-N 316.361 -0.220 30 20 DBED C=CCOCC(=O)N[C@H](C)[C@@H]1CCN(C(=O)CC(=O)NC)C1 1050537142 LULXEBMPOFKLOF-VXGBXAGGSA-N 311.382 -0.322 30 20 DBED C=C(Cl)CN1CCOC[C@@H]1CNC(=O)c1nnn(C)n1 1051071908 XDOWEBSOQUQDGB-VIFPVBQESA-N 300.750 -0.607 30 20 DBED C=CCOCC(=O)N[C@H](C)[C@@H]1CCN(C(=O)Cn2cncn2)C1 1051638625 RWQDIXYQISILKT-CHWSQXEVSA-N 321.381 -0.166 30 20 DBED CNC(=O)CC(=O)N1C[C@H](C)[C@H](CNC(=O)C#CC(C)C)C1 1052434101 CIIPRPQQDLBUDX-QWHCGFSZSA-N 307.394 -0.007 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)[C@@H]1CCNC(=O)CC1)CCO2 1053358409 QQFZNNOYUVQBJE-AWEZNQCLSA-N 319.405 -0.161 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)[C@@H]1CCCC(=O)N1C)CCO2 1053520782 KMWABDBRNANEAE-AWEZNQCLSA-N 319.405 -0.066 30 20 DBED C#CCN1CC2(CC[C@H](CNC(=O)[C@@H]3CCNC(=O)C3)O2)C1 1053590348 FWSCAWQFWOMTJE-CHWSQXEVSA-N 305.378 -0.505 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1COC2(C1)CN(CC(N)=O)C2 1053927526 DAIXAZKMSBTPMO-UTUOFQBUSA-N 309.366 -0.978 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@](CO)(NC(=O)c2ncc[nH]2)C1 1055928481 AIHBRKJFEZZQRE-HZMBPMFUSA-N 305.338 -0.347 30 20 DBED N#Cc1cncc(N2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)n1 1056023900 DKJZWCYBWMXMIL-MNOVXSKESA-N 300.322 -0.882 30 20 DBED N#Cc1ccc(N2C[C@H]3C(NC(=O)[C@H]4COCCO4)[C@@H]3C2)nc1 1056135426 PIMBEYVPYUWWRN-JHJVBQTASA-N 314.345 -0.081 30 20 DBED N#Cc1cncc(N2C[C@H]3[C@H](NC(=O)[C@H]4C[C@H]4C(N)=O)[C@H]3C2)n1 1056406153 BFPYULHBAQFUBA-OQEOFVATSA-N 312.333 -0.980 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCN(CCO)C(=O)[C@H](CC)OC 1057153957 NCGSAJNORVFTSP-SWLSCSKDSA-N 316.398 -0.324 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)CO[C@H]1CCOC1 1057168498 IMIAJRGVCXBMRD-ZDUSSCGKSA-N 314.382 -0.305 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)C(=O)NCC1CC1 1057168526 JLIRBAGDZUMWFJ-UHFFFAOYSA-N 311.382 -0.584 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)[C@@]12COC[C@@H]1C2 1057199274 NMZSOYMELTYASZ-WFASDCNBSA-N 312.366 -0.837 30 20 DBED N#Cc1ccc(NC2CCN(C(=O)Cn3ncnn3)CC2)nn1 1057375105 ZFLTVQZXCJGXFO-UHFFFAOYSA-N 313.325 -0.562 30 20 DBED Cc1nccn1CC(=O)NCCN(CCO)C(=O)C#CC(C)C 1057524537 HPUTWJBKVAGMNY-UHFFFAOYSA-N 320.393 -0.212 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)[C@@H]1CN(C)C[C@H]1C 1057524911 WKBHBLVJVBUNTQ-HUUCEWRRSA-N 323.437 -0.219 30 20 DBED C[C@@](O)(CC(=O)NCCN(CCO)C(=O)C#CC1CC1)C1CC1 1057531121 FSCVOHDIFLTBMR-QGZVFWFLSA-N 322.405 -0.112 30 20 DBED C=CCCCC(=O)NCCN(CCO)C(=O)Cc1n[nH]c(C)n1 1057541288 SKYRXBUXVDNNQR-UHFFFAOYSA-N 323.397 -0.051 30 20 DBED C#CCOCCC(=O)N(CCO)CCNC(=O)c1cncnc1 1057580793 GCEAOZJCJKWRPR-UHFFFAOYSA-N 320.349 -0.933 30 20 DBED Cn1ncc(C(=O)NC2CCN(c3cnc(C#N)cn3)CC2)n1 1057884242 VGGHQGVQOKAHCI-UHFFFAOYSA-N 312.337 -0.124 30 20 DBED N#Cc1cncc(N2CCC[C@H](NC(=O)[C@H]3CNC(=O)N3)C2)n1 1058231315 DZEWFWUQAHVITB-GXSJLCMTSA-N 315.337 -0.885 30 20 DBED N#Cc1cncc(N2CC[C@H](NC(=O)C[C@@H]3CCC(=O)N3)C2)n1 1058396166 GKTJNRVLAOVQGD-QWRGUYRKSA-N 314.349 -0.288 30 20 DBED C=C[C@H](C)[C@@H](C)C(=O)N(CCO)CCNC(=O)Cc1nc[nH]n1 1058438297 UAJKHAXFRQIABT-NWDGAFQWSA-N 323.397 -0.258 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)c1cn(C)ccc1=O 1058655168 SFQCDQQRQPAKRJ-NSHDSACASA-N 320.349 -0.904 30 20 DBED C=C1CC(C)(C(=O)N(CCO)CCNC(=O)[C@@H]2CCNC2=O)C1 1058773489 LLUOBMBIXDCVPV-GFCCVEGCSA-N 323.393 -0.584 30 20 DBED C#CCO[C@H](C)C(=O)NCCN(CCO)C(=O)[C@@H]1CC12CC2 1058942493 DBDYDVIUUSMUTK-OLZOCXBDSA-N 308.378 -0.238 30 20 DBED N#Cc1cncc(N[C@H]2C[C@H](NC(=O)[C@@H]3CCC(=O)N3)C2)n1 1059268094 XTQZHLCPLNVCLB-QXEWZRGKSA-N 300.322 -0.314 30 20 DBED N#Cc1nc(=N[C@H]2C[C@@H](NC(=O)c3ccc(O)nn3)C2)cc[nH]1 1059560659 BBAPYZIKFVHZRF-DTORHVGOSA-N 311.305 -0.361 30 20 DBED N#Cc1cnc(N[C@H]2C[C@@H](NC(=O)C3CS(=O)(=O)C3)C2)cn1 1059726844 VMFPXKAJHNNKTM-AOOOYVTPSA-N 321.362 -0.548 30 20 DBED COCC(=O)N1CCOC[C@H]1CNC(=O)CSCC#N 1061318337 SCBUTPPNWVCPDO-SNVBAGLBSA-N 301.368 -0.767 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1COCCN1C(=O)[C@H]1COCCO1 1061566568 PLFNZTJFEAIOAG-ZIAGYGMSSA-N 324.377 -0.595 30 20 DBED N#Cc1ccc(N2C[C@@H]3C[C@H]2CN3C(=O)CCn2ccnn2)nn1 1062480465 VMMUMHPKYWFYAS-STQMWFEESA-N 324.348 -0.180 30 20 DBED N#Cc1nccnc1N1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]c(=O)cn1 1062569328 ZOLICFDZHKTITO-UWVGGRQHSA-N 323.316 -0.465 30 20 DBED COCC(=O)N(C)CC(=O)NC1(CNC(=O)[C@@H](C)C#N)CCC1 1064311070 WWFWLOVHZMFSHK-NSHDSACASA-N 324.381 -0.594 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@H]1CN(C(=O)COC)CCO1 1064755403 ZUPDZPGGESKRDW-RISCZKNCSA-N 300.355 -0.697 30 20 DBED C=CCO[C@H](C)C(=O)NC[C@H]1CN(C(=O)c2cc[nH]n2)CCO1 1064890321 MBUPFKWBERKHGW-NEPJUHHUSA-N 322.365 -0.042 30 20 DBED C#CCCCC(=O)N1CCO[C@H](CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 1065095553 KGSJHPHTUKUUHB-UPJWGTAASA-N 321.377 -0.745 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)c2cnnn2C)CCO1 1065107761 IRGDLDOCEWDMGO-LBPRGKRZSA-N 319.365 -0.568 30 20 DBED O=C(C#CC1CC1)N1CCO[C@H](CNC(=O)[C@@]2(F)CCOC2)C1 1065136864 IILXDTFIADIVKJ-CZUORRHYSA-N 324.352 -0.128 30 20 DBED N#Cc1cnc(N2[C@H]3CC[C@H]2CN(C(=O)C(N)=O)CC3)cn1 1065162878 GNCBUJODEQLIOL-QWRGUYRKSA-N 300.322 -0.597 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CN(C(=O)CN2CCCC2)CCO1 1065172165 TXLDQKDUGVRULP-STQMWFEESA-N 308.382 -0.415 30 20 DBED C=C(C)CCC(=O)N1CCO[C@@H](CNC(=O)[C@@H]2CCC(=O)N2)C1 1065224235 NBJDVSGMFDLNTL-STQMWFEESA-N 323.393 -0.035 30 20 DBED C[C@@]1(NC(=O)[C@@H]2CNC(=O)N2)CCN(c2cncc(C#N)n2)C1 1065325949 JWHNPIGNBWWKQE-IINYFYTJSA-N 315.337 -0.885 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(C(=O)c2ccncn2)CCO1 1065505314 OCWMXAJYWQNPGO-ZDUSSCGKSA-N 314.345 -0.153 30 20 DBED C=C(C)CCC(=O)N1CC[C@H](N2CCN(C(=O)C(N)=O)CC2)C1 1065706321 JFDOWFIUAVDJIU-ZDUSSCGKSA-N 322.409 -0.427 30 20 DBED CNC(=O)NCC(=O)N1CCC[C@H](NC(=O)[C@H](C)C#N)CC1 1066481207 LDALXWDKTBJCRI-MNOVXSKESA-N 309.370 -0.428 30 20 DBED N#Cc1c[nH]ccc1=NCC1CC(NC(=O)Cn2ncnn2)C1 1067866550 LFADZWFBPGHWER-UHFFFAOYSA-N 312.337 -0.631 30 20 DBED Cn1nncc1C(=O)NC[C@H]1[C@@H]2CN(c3ccnc(C#N)n3)C[C@H]12 1068171995 HRXAMJCEOCIQDL-RTCCRHLQSA-N 324.348 -0.411 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1COC2(C1)CN(C(=O)c1nc[nH]n1)C2 1069002672 HBUXQUIRXXRDFB-DTWKUNHWSA-N 304.310 -0.936 30 20 DBED Cn1nnc(C(=O)N[C@@H]2CCCN(C(=O)CSCC#N)C2)n1 1070454688 MJAAMZZBWNDMIB-SECBINFHSA-N 323.382 -0.812 30 20 DBED CS(=O)(=O)CC(=O)N[C@@H]1CCCN(C(=O)C#CC2CC2)C1 1070706995 QYUPEQFOPKQGIC-GFCCVEGCSA-N 312.391 -0.448 30 20 DBED C#CCOCCC(=O)N1CCC[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 1070729478 MYRPKDDQIZJKGA-UPJWGTAASA-N 321.377 -0.745 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)CCc4nc[nH]n4)C[C@@]3(C1)O2 1070782227 YABBKUGHJCZSRN-XJKCOSOUSA-N 315.377 -0.328 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H](NC(=O)CCS(C)(=O)=O)C1 1071229681 WXTJBYDYDXWXLV-WDEREUQCSA-N 315.395 -0.312 30 20 DBED C[C@@H](CCNC(=O)CSCC#N)NC(=O)Cc1nc[nH]n1 1075678412 ZXGQWRHDHQLGMO-VIFPVBQESA-N 310.383 -0.385 30 20 DBED C=CCN1C[C@@H]2CCN(C(=O)CN3CCC(=O)NC3=O)[C@@H]2C1 1076437761 XJODJFUAQNHZAU-NWDGAFQWSA-N 306.366 -0.353 30 20 DBED Cn1ccc(CN2C[C@@H](O)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)n1 1076898541 OCUUULBAJAKBLM-ZIAGYGMSSA-N 314.349 -0.405 30 20 DBED C[C@@H](CCNC(=O)c1cc(=O)n(C)cn1)NC(=O)[C@H](C)C#N 1077129295 CMXHMVDEBXXTHK-ZJUUUORDSA-N 305.338 -0.435 30 20 DBED C#CCOCCC(=O)N[C@@H](C)CCNC(=O)[C@@H]1CCNC1=O 1077733772 UOUKELVCPKUKGW-RYUDHWBXSA-N 309.366 -0.827 30 20 DBED CC(=O)NCc1ccc(C(=O)N[C@@H]2CN(CC#N)C[C@H]2O)o1 1077848681 KMXUNGFHJDUANA-VXGBXAGGSA-N 306.322 -0.786 30 20 DBED C=CCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)CNC(C)=O)C1 1079979886 PWUFBDOFDHUMCF-NSHDSACASA-N 311.382 -0.227 30 20 DBED C#CCOCCC(=O)N1C[C@H](O)[C@H](CNC(=O)CC2CC2)C1 1081171676 FKWCQSABGJJDPT-KGLIPLIRSA-N 308.378 -0.238 30 20 DBED C#CCN1C[C@@H](NC(=O)Cc2ccc(C(N)=O)nc2)[C@H](OC)C1 1081851044 FECSYZPLWHATEJ-ZIAGYGMSSA-N 316.361 -0.828 30 20 DBED CCCN1C[C@@H](C(=O)N[C@@H]2CN(CC#N)C[C@H]2OC)CC1=O 1082188619 JHJDYKCWVAGWPO-YNEHKIRRSA-N 308.382 -0.416 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2cn(-c3cccnc3)nn2)C1 1083510319 ZGOODMYKOBWKAX-OCCSQVGLSA-N 312.333 -0.930 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)c2c(C)nn(C)c2OC)C1 1083827301 LEEHRLSBRKFNNB-NEPJUHHUSA-N 306.366 -0.465 30 20 DBED CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)CCN1CC#N 1087833730 QXGCHEBUPMEPBU-GARJFASQSA-N 300.384 -0.829 30 20 DBED C#CCN1CC[C@@H](NC(=O)Cc2cn3c(n2)CCCC3)[C@@H](O)C1 1090279506 MDYBLVODVJPEFF-CABCVRRESA-N 316.405 -0.054 30 20 DBED C#CCCN1CC[C@@H](NC(=O)Cn2cc(C3CC3)nn2)[C@@H](O)C1 1090318192 GISTUDQSFNBEQT-HIFRSBDPSA-N 317.393 -0.270 30 20 DBED CC(=O)N[C@H](C)C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1C 1090649171 IKTUIWQCLONXOV-CKYFFXLPSA-N 316.365 -0.186 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(c2nccnc2F)C[C@@H]1O 1091152748 HFHQJKFCUZFBDJ-AXFHLTTASA-N 308.313 -0.680 30 20 DBED C#CCOc1ncccc1C(=O)NCC1CC(NCC(N)=O)C1 1091331046 DMGYIAZITUDAPY-UHFFFAOYSA-N 316.361 -0.323 30 20 DBED CC(=O)NCC(=O)NC[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1C 1092316445 FRDHXTIZOULDQY-ZYHUDNBSSA-N 316.365 -0.327 30 20 DBED CC(=O)NCC(=O)N[C@H]1[C@@H]2CN(c3nc(C)ccc3C#N)C[C@@H]21 1093215500 MVPLYHZTSKSBGZ-NHAGDIPZSA-N 313.361 -0.051 30 20 DBED COC(=O)c1nccc(N2C[C@H]3[C@H](NC(=O)[C@H](C)C#N)[C@H]3C2)n1 1093236931 LALFQDBOUIOSOD-SVDPJWKOSA-N 315.333 -0.026 30 20 DBED CNC(=O)c1cccc(C(=O)NCCN=c2cc[nH]cc2C#N)n1 1093786454 YUTVLYWBIBKBNM-UHFFFAOYSA-N 324.344 -0.028 30 20 DBED N#Cc1nccnc1NCCNC(=O)CNC(=O)c1ccoc1 1094182775 NAWSTMGMIOLLSN-UHFFFAOYSA-N 314.305 -0.101 30 20 DBED C=CCN1CC(n2cc(CNC(=O)c3[nH]nnc3C)nn2)C1 1094309626 IDBIOQDZIGXKNS-UHFFFAOYSA-N 302.342 -0.323 30 20 DBED COc1cc(C(=O)NCCCN=c2cc[nH]c(C#N)n2)on1 1094374141 ZFTYEHVKXIPXLZ-UHFFFAOYSA-N 302.294 -0.001 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)c3ccc(F)nc3)CC2=O)C1 1094714688 ZXMFJFARYGDPJS-LBPRGKRZSA-N 316.336 -0.131 30 20 DBED CC(=O)N[C@H](C)C(=O)N1CC[C@@H](Nc2cnc(C#N)cn2)C1 1095009505 CMHSLSAQLQGRDT-MWLCHTKSSA-N 302.338 -0.114 30 20 DBED CCc1nc(C#N)cc(N2CCC[C@H](NC(=O)CC(N)=O)C2)n1 1096144099 IIDFHXSPTDCQAN-JTQLQIEISA-N 316.365 -0.129 30 20 DBED N#Cc1cnc(N2CC[C@H](NC(=O)CO[C@H]3CCOC3)C2)cn1 1096438959 ACKBAFDDSSGVTD-AAEUAGOBSA-N 317.349 -0.151 30 20 DBED CN(C)C(=O)CC(=O)N[C@H]1C[C@@H](Nc2ccc(C#N)nn2)C1 1097257019 DWLYBDKQRXLUIO-PHIMTYICSA-N 302.338 -0.114 30 20 DBED N#Cc1nc(=NC[C@H]2CCCN(C(=O)CNC(N)=O)C2)cc[nH]1 1097351636 DQYLTHJDBYDSTE-SNVBAGLBSA-N 317.353 -0.911 30 20 DBED C[C@H](CNC(=O)c1ccc(=O)n(C)n1)Nc1cncc(C#N)n1 1097851887 YPCHQUZNMNSDGR-SECBINFHSA-N 313.321 -0.328 30 20 DBED C[C@@H](CNC(=O)C[C@@H]1NC(=O)NC1=O)Nc1ccc(C#N)cn1 1098378491 UVIXJBQCVNSEAF-WPRPVWTQSA-N 316.321 -0.532 30 20 DBED C[C@@H](CNC(=O)c1cn(C)c(=O)cn1)N=c1cc[nH]cc1C#N 1098429929 WKIXWIXIQRCUIE-JTQLQIEISA-N 312.333 -0.301 30 20 DBED CC#CCN(CCO)C1CCN(C(=O)[C@H](C)CC(N)=O)CC1 1098447566 OMMVTJOEGCJPQL-CYBMUJFWSA-N 309.410 -0.194 30 20 DBED C[C@H](CCNC(=O)Cn1cnnn1)Nc1ncccc1C#N 1098816768 BHOXTJDDUJJGOH-SNVBAGLBSA-N 300.326 -0.053 30 20 DBED CC(=O)N(C)CC(=O)NCC[C@@H](C)N=c1cc[nH]c(C#N)n1 1098842785 CXQBORSMHAWFHO-SNVBAGLBSA-N 304.354 -0.445 30 20 DBED COCC#CCN1CC[C@H](NC(=O)CCSC)[C@@H](O)C1 1099657300 QJWVBZLWOTVHFO-STQMWFEESA-N 300.424 -0.059 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)Cc2ccnn2C)[C@H](O)C1 1099794031 GTEPFANVQJHKOR-LSDHHAIUSA-N 322.409 -0.283 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)Cc2cnoc2)[C@@H](O)C1 1099962755 TZVHNOXCLGVEGG-KGLIPLIRSA-N 307.350 -0.582 30 20 DBED CN1CCO[C@@H](C(=O)NCCN(C)c2ccnc(C#N)n2)C1 1099996840 RXYOVFLPQHLPJT-LLVKDONJSA-N 304.354 -0.769 30 20 DBED CN1CC[C@H](C(=O)NCCN(C)c2cncc(C#N)n2)CC1=O 1100398587 NZFPOUSWPGAYGI-NSHDSACASA-N 316.365 -0.231 30 20 DBED CC[C@H](CNC(=O)[C@@H]1COC(=O)N1)N=c1cc[nH]c(C#N)n1 1103052414 GRRNQUXILIGHDE-BDAKNGLRSA-N 304.310 -0.815 30 20 DBED CC[C@@H](CNC(=O)CCNC(N)=O)Nc1cnc(C#N)cn1 1103091999 KDSORFBYBZZKOW-VIFPVBQESA-N 305.342 -0.287 30 20 DBED N#Cc1ccc(N2CCC(CCNC(=O)CC(N)=O)CC2)nn1 1103678801 LZYUOAIXCJABJC-UHFFFAOYSA-N 316.365 -0.054 30 20 DBED Cc1cc(=NC[C@@H](C)CNC(=O)CNC(N)=O)c(C#N)c[nH]1 1103869277 CEVQWUPBEIKOCK-SECBINFHSA-N 304.354 -0.484 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)CO[C@H]1CCOC1 1104683026 FHZGAVYLKDJTIH-NEPJUHHUSA-N 319.365 -0.166 30 20 DBED C[C@@H](CNc1ccc(C#N)nc1)N(C)C(=O)[C@@H]1CNC(=O)N1 1104784987 KUHHOZXZILYXSO-CABZTGNLSA-N 302.338 -0.107 30 20 DBED Cc1nnsc1C(=O)N1CC(n2cc(CNCC#N)nn2)C1 1105152630 DUYPQTQCWADWMK-UHFFFAOYSA-N 318.366 -0.252 30 20 DBED C#CCNCc1cn(C2CN(C(=O)c3nccn3CC)C2)nn1 1105221895 ZMOWVMWCVJRYNL-UHFFFAOYSA-N 313.365 -0.086 30 20 DBED Cc1nsc(NC[C@@H](O)CNC(=O)c2ncn(C)n2)c1C#N 1105816413 YSFKRCGWDHFNSM-QMMMGPOBSA-N 321.366 -0.346 30 20 DBED CCOCCOCC(=O)NC[C@@H](O)CNc1ccc(C#N)cn1 1105871896 KROOTIAEHTUCID-ZDUSSCGKSA-N 322.365 -0.105 30 20 DBED CCN(C)CCC(=O)NC[C@@H](O)CNc1cncc(C#N)n1 1105944725 YBNSKULDEBGBTO-LBPRGKRZSA-N 306.370 -0.421 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)[C@@]2(F)CCOC2)nn1 1106072187 HOZZYBYCGOLEFE-GXFFZTMASA-N 309.301 -0.634 30 20 DBED Cc1ccn(CC(=O)NC[C@@H](O)CNc2cncc(C#N)n2)n1 1106109944 BFSSBGCOUCNJDZ-LBPRGKRZSA-N 315.337 -0.558 30 20 DBED CCC(=O)N[C@@H](C)C(=O)NC[C@@H](O)CNc1cnc(C#N)cn1 1106141015 ULJXDAHCAOPCTB-ONGXEEELSA-N 320.353 -0.848 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)C2CC(OC)C2)C[C@H]1C 1106291865 OERLCVKJLMMTJT-FEWQNLEASA-N 321.421 -0.155 30 20 DBED CCN(CCNc1nccnc1C#N)C(=O)c1nnn(C)n1 1106918248 AQBZDOQTMLYCRV-UHFFFAOYSA-N 301.314 -0.554 30 20 DBED C#CCOCCC(=O)N[C@H](C)CNc1ccc2nnnn2n1 1107941163 XLOFOUTXIPRYJB-SNVBAGLBSA-N 303.326 -0.524 30 20 DBED C[C@H](CNc1ncc(C#N)cc1F)NC(=O)[C@H]1CNC(=O)N1 1108076102 MIIJNPCINNMIHD-GMSGAONNSA-N 306.301 -0.310 30 20 DBED CC#CCN1CCO[C@@](C)(CNC(=O)C(=O)NCC2CC2)C1 1108309540 UMADIDLRABCMAT-INIZCTEOSA-N 307.394 -0.257 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)[C@@H]2CCCS2(=O)=O)C1 1108408442 GGNJBFFNAAKVSM-JSGCOSHPSA-N 314.407 -0.596 30 20 DBED C=CCNC(=O)CN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cnon1)C2 1108781284 SGQIDTQMBWUTRK-TUAOUCFPSA-N 319.365 -0.046 30 20 DBED C[C@H](CN(C)c1ccncc1C#N)NC(=O)[C@H]1CNC(=O)N1 1109210579 CQTUZASOWKRENY-MWLCHTKSSA-N 302.338 -0.424 30 20 DBED CNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C#CC(C)C 1109246354 WEJVJEYEHBBBBE-AGIUHOORSA-N 320.393 -0.177 30 20 DBED C[C@H](CN(C)c1nccnc1C#N)NC(=O)CC(=O)N(C)C 1109263445 HLBVDIALIXFJGQ-SNVBAGLBSA-N 304.354 -0.233 30 20 DBED COCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCC#N)CC1 1109519078 OOAHJCQHTHMZPL-AGIUHOORSA-N 320.393 -0.226 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1[C@H]2C[C@H]1N(c1ncc(F)cn1)C2 1109704213 OGQCOELAQOHAOB-DRCTWCGVSA-N 317.324 -0.552 30 20 DBED C[C@H](C#N)C(=O)N[C@@H](CNc1nccn2nnnc12)C1CC1 1109796167 QBRGRKWCFGVRTC-SCZZXKLOSA-N 300.326 -0.014 30 20 DBED C[C@@]1(CNC(=O)CC(N)=O)CCCN(c2cncc(C#N)n2)C1 1110919207 BRHRNVPCHNNKHW-HNNXBMFYSA-N 316.365 -0.054 30 20 DBED CCCOCC(=O)NC[C@]1(O)CCN(c2nccnc2C#N)C1 1111037790 KLVIYIIMPSIYMK-OAHLLOKOSA-N 319.365 -0.168 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)COCc1nncn1C 1111206815 QJSDBQFYQWLOLJ-UPJWGTAASA-N 303.366 -0.314 30 20 DBED N#Cc1cnccc1N1C[C@H]2CN(C(=O)CNC(N)=O)C[C@H]2C1 1111286364 HZQYTRDPSUWAME-TXEJJXNPSA-N 314.349 -0.484 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)C[C@H]2CCOC2)CC1 1112737081 RIMCOJQXFHHHEY-ZIAGYGMSSA-N 307.394 -0.305 30 20 DBED C=CCOCCN1CCN(C(=O)c2cn(CCOC)nn2)CC1 1112837443 HYLVEZJKGOIMFE-UHFFFAOYSA-N 323.397 -0.115 30 20 DBED COCC#CCN1CCN(C(=O)[C@@H]2CN3CCC[C@@H]3CO2)CC1 1112868284 LEBJDLJLJPUZIX-CVEARBPZSA-N 321.421 -0.356 30 20 DBED CC(C)CO[C@@H](C)C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1113965198 KLIYDXUHGXPGSV-RMRHIDDWSA-N 322.409 -0.266 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1[C@@H]2CN(Cc3cncn3C)C[C@@H]21 1114158248 SJJDCYBADLVTKY-VIKVFOODSA-N 315.377 -0.894 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)C[C@H]3CCNC3=O)[C@H]2C1 1114396977 GKISUOTVUQCDGY-CXTNEJHOSA-N 305.378 -0.791 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3c(C)ncn3C)[C@H]2C1 1114431437 PKMWNECQVPQEGR-IMRBUKKESA-N 315.377 -0.862 30 20 DBED CNC(=O)CC(=O)N[C@H]1C[C@H](CN=c2cc[nH]cc2C#N)C1 1114763012 KBSBNJTUAJSXDW-UMSPYCQHSA-N 301.350 -0.182 30 20 DBED C=C1CC(C)(C(=O)N[C@H]2[C@@H]3CN(CC(=O)NC(N)=O)C[C@@H]32)C1 1114805422 CMGWKHWDGGCVEU-IAZYJMLFSA-N 306.366 -0.416 30 20 DBED C=CCN1C[C@H]2[C@H](NC(=O)[C@@H](NS(C)(=O)=O)C(C)C)[C@H]2C1 1114943018 QHKABAHWOKICFS-QNWHQSFQSA-N 315.439 -0.207 30 20 DBED C#CCCN1C[C@H]2[C@H](NC(=O)COCc3nncn3C)[C@H]2C1 1115056121 UMBFMCVHBUXIEV-JYAVWHMHSA-N 303.366 -0.599 30 20 DBED CNC(=O)CCCCC(=O)NC1[C@H]2CN(CC#CCOC)C[C@H]12 1115327899 GQPKUFQXNPSUMS-KBPBESRZSA-N 321.421 -0.011 30 20 DBED C=CCO[C@H](C)C(=O)N[C@H]1[C@@H]2CN(CCN3CCNC3=O)C[C@@H]21 1115332350 NDZLHZNHEZTGPZ-MQYQWHSLSA-N 322.409 -0.351 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)CCc3cn(C)nn3)[C@@H]2C1 1115359401 XAYKVENAHWTKTI-ZIAGYGMSSA-N 317.393 -0.556 30 20 DBED N#CCn1cc(NC(=O)C(=O)N2CCN3C(=O)OC[C@H]3C2)cn1 1116336733 GAMAVPBVERNDOL-SNVBAGLBSA-N 318.293 -0.992 30 20 DBED C#CC1CCN(C(=O)C(=O)N2CC[C@@H](C(=O)N(C)C)C2)CC1 1118253402 OKHULMGYJMFWRG-CYBMUJFWSA-N 305.378 -0.205 30 20 DBED C=C(C)CN(C)C(=O)C(=O)N1CC[C@@H](S(=O)(=O)NC)C1 1118823580 PIWDCIQOZSRZHB-SNVBAGLBSA-N 303.384 -0.829 30 20 DBED C#CCNC1(CNC(=O)Cn2nc(C)n(C)c2=O)CCCCC1 1120084160 DJZQDZGQHLMQOZ-UHFFFAOYSA-N 319.409 -0.068 30 20 DBED Cc1ncncc1C(=O)NC[C@H](CO)Nc1cnc(C#N)cn1 1121086476 VOPDYVMHDUSLDK-LLVKDONJSA-N 313.321 -0.351 30 20 DBED Cc1cc(N[C@H](CO)CNC(=O)[C@@H](C)C#N)n2ncnc2n1 1121212763 IVTSWOCBHNRSOD-WPRPVWTQSA-N 303.326 -0.519 30 20 DBED CN1CCC[C@H]1C(=O)NC[C@@H](CO)Nc1ccc(C#N)nn1 1121241291 LWNCHJQQRZESID-RYUDHWBXSA-N 304.354 -0.669 30 20 DBED Cn1ccc(C(=O)NC[C@H](CO)Nc2cnc(C#N)cn2)n1 1121583231 ZHHKCOHQARMDAW-SNVBAGLBSA-N 301.310 -0.715 30 20 DBED Cc1ccc(C#N)c(N[C@H](CO)CNC(=O)Cn2nccn2)n1 1122098650 XMXZFFUWHRRTBE-LBPRGKRZSA-N 315.337 -0.558 30 20 DBED Cc1nocc1C(=O)NC[C@@H](CO)N=c1cc[nH]cc1C#N 1122438755 XQOINXLIQITTEW-NSHDSACASA-N 301.306 -0.126 30 20 DBED CC(=O)NCC(=O)N1CC[C@@H](Nc2cnc(C#N)cn2)[C@@H]1C 1122905115 XHFLJARMJHICBO-JOYOIKCWSA-N 302.338 -0.114 30 20 DBED C[C@@H]1[C@@H](Nc2nccnc2C#N)CCN1C(=O)CCNC(N)=O 1123012282 IGGJDDPCIWDGDK-ZJUUUORDSA-N 317.353 -0.192 30 20 DBED CNC(=O)CC(=O)N1C[C@H](N=c2cc[nH]cc2C#N)C[C@@H]1C 1123202843 LDSHGXUTMMXFEI-CMPLNLGQSA-N 301.350 -0.087 30 20 DBED COc1ccc(CNCCNC(=O)CNC(N)=O)cc1C#N 1123258856 WHKDPKQFCOEDAJ-UHFFFAOYSA-N 305.338 -0.559 30 20 DBED COCCCNC(=O)[C@H](C)NCCNC(=O)CSCC#N 1123799688 ZMFUVCOSQZLAFB-NSHDSACASA-N 316.427 -0.510 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]cc1C#N)C(=O)[C@H]1COCCO1 1124047312 TXGBTFCVIQEMJC-TZMCWYRMSA-N 320.349 -0.978 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)C[C@@H]1CCOC1 1124179393 GMAJKEGKLHGOMS-RYUDHWBXSA-N 319.365 -0.572 30 20 DBED CN(C[C@H](O)CN(C)c1nccnc1C#N)C(=O)[C@H]1CCOC1 1124996049 XLZPSXHIYZGIRT-NWDGAFQWSA-N 319.365 -0.360 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)c2cccc(O)n2)C1=O 1125297668 USUICIMZXXMBON-GFCCVEGCSA-N 304.350 -0.107 30 20 DBED CN(C)c1noc(CNCCNC(=O)c2c[nH]c(C#N)c2)n1 1125987893 HAJHMTXXQMOSRV-UHFFFAOYSA-N 303.326 -0.145 30 20 DBED C#CCCCC(=O)NCCNCC(=O)N[C@H](C)C(=O)N(C)C 1126355539 BNRHBYJGTBPULS-GFCCVEGCSA-N 310.398 -0.911 30 20 DBED CN(C(=O)CCNC(N)=O)C1CC(N=c2cc[nH]c(C#N)n2)C1 1126945960 OULDDNAWNYMVSN-UHFFFAOYSA-N 317.353 -0.770 30 20 DBED C#CCOCCC(=O)NCCNC[C@@H](O)COCC(C)C 1127023042 AMFWSOMRUPMPRQ-CQSZACIVSA-N 300.399 -0.234 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)c2cc3n(n2)CCC3)C1=O 1128905421 RUWKEEBLTZCHJR-CYBMUJFWSA-N 317.393 -0.064 30 20 DBED COCCC1(C(=O)N[C@@H]2CN(CC#N)C[C@@H]2n2ccnn2)CC1 1129043753 WOWJYWSLTKYOJI-OLZOCXBDSA-N 318.381 -0.040 30 20 DBED C=CCCC(=O)N1C[C@H](n2ccnn2)[C@H](N[C@@H]2CCNC2=O)C1 1129666798 JAURQLLHUMYOQM-UPJWGTAASA-N 318.381 -0.526 30 20 DBED C[C@H](O)CCCN1CCNC(=O)CCN(C(=O)[C@H](C)C#N)CC1 1131339531 GVSNQKWDYYNNER-KGLIPLIRSA-N 324.425 -0.042 30 20 DBED C=CCCN1CC[C@@]2(C1)CN(C(=O)CNC(N)=O)C[C@@H](C)O2 1131632262 MDDYMBRILCHEGC-IUODEOHRSA-N 310.398 -0.077 30 20 DBED C=CCOCCN1C[C@H](NC(=O)c2nnn(C)n2)CC[C@@H]1C 1132224035 JRNORHLIRGOMHV-NWDGAFQWSA-N 308.386 -0.005 30 20 DBED C[C@@H]1CCN(C(=O)Cn2c(O)nnc2O)C[C@H]1CNCC#N 1133270505 JNCKKRCKUJXJAC-NXEZZACHSA-N 308.342 -0.713 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)C[C@@H](C)NCc1cnn(C)n1 1134130013 AZTPUVGXYFUVQO-VXGBXAGGSA-N 320.397 -0.673 30 20 DBED C=CCCn1cc(C(=O)NCCNCCS(C)(=O)=O)nn1 1135072407 VJYWSZSHARTFNH-UHFFFAOYSA-N 315.399 -0.782 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)Cn1ccc(C)n1 1135493644 XBUMZLPHMXHYOR-ZIAGYGMSSA-N 319.409 -0.186 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cnn(C)c1C(F)F 1147402108 LUCPFHSKDDKAAM-UHFFFAOYSA-N 313.308 -0.574 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)c2conc2COC)C1=O 1147556788 INXWJGLRMBECTP-LBPRGKRZSA-N 322.365 -0.073 30 20 DBED C=CCNC(=O)CN1CCC2(C1)CN(C(=O)[C@@H]1[C@H]3COC[C@H]31)C2 1148095900 RLJFLQIZYLQYAI-NHAGDIPZSA-N 319.405 -0.285 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H](CCC)NC(N)=O 1149103947 LMFNYYLSTMBHMV-GHMZBOCLSA-N 313.402 -0.780 30 20 DBED COCC#CCNCCNC(=O)CO[C@@H](C)c1nccn1C 1149287680 LOEJGTBWGNZYGX-ZDUSSCGKSA-N 308.382 -0.147 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)C[C@H]2COC(=O)C2)C1=O 1156580162 VQRZOTONGQBHPW-OLZOCXBDSA-N 323.393 -0.178 30 20 DBED CCCNC(=O)NC(=O)CNCCCNC(=O)C#CC1CC1 1157705004 HAJQRIDEFDCTLG-UHFFFAOYSA-N 308.382 -0.269 30 20 DBED COCC1(CNC(=O)[C@H]2CCC(=O)N2)CCN(CC#N)CC1 1162171400 QNKLGERUCXKTRW-GFCCVEGCSA-N 308.382 -0.367 30 20 DBED N#CCNC(=O)CNCCCNC(=O)c1ccn2ccnc2c1 1162427673 KTXZSPDPERSYGH-UHFFFAOYSA-N 314.349 -0.316 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)CCCCC(N)=O)C1=O 1170613425 UHBZCIVOQRVSGF-CYBMUJFWSA-N 324.425 -0.085 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC[C@H](NCc2nc(=O)n(C)[nH]2)[C@@H]1C 1178582129 OOFPHGOWOHTIRV-ZIBATOQPSA-N 323.397 -0.486 30 20 DBED Cc1nc[nH]c1C(=O)N1CC[C@H](NCC(=O)NCC#N)[C@@H]1C 1180303287 LIMJJAAVLJOAAF-QWRGUYRKSA-N 304.354 -0.450 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@@H](NC[C@H](O)COC)C1 1183354132 REBGZRJDXUOZRY-ILXRZTDVSA-N 309.410 -0.718 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@@H](NCC(=O)N(C)C)C1 1183354251 XVBLZBAEYRQNDV-KGLIPLIRSA-N 306.410 -0.637 30 20 DBED CCS(=O)(=O)NCC(=O)N1CC[C@@H](CNCC#N)[C@H](C)C1 1184525907 ZUUYZCRMQQNNQC-NEPJUHHUSA-N 316.427 -0.477 30 20 DBED CC#CCN[C@@H]1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)C1 1186372380 VIVHSCWPYNWCKJ-GFCCVEGCSA-N 304.350 -0.860 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CN(CC)CCO2)C1 1187982132 GCXQXKTXUMWAOQ-KGLIPLIRSA-N 324.425 -0.800 30 20 DBED CC#CCN1C[C@@H]2CCN(C(=O)CNS(=O)(=O)CC)[C@@H]2C1 1188132028 YAAZYQKMZIVEHN-QWHCGFSZSA-N 313.423 -0.518 30 20 DBED C=CCN1C[C@@H]2CCN(C(=O)CNS(=O)(=O)N(C)C)[C@@H]2C1 1189277373 ZGMCMYYVTCVINC-NWDGAFQWSA-N 316.427 -0.899 30 20 DBED C=CCCN1C[C@@H]2CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)[C@@H]2C1 1189324636 MDARJFGCTYVJPK-MELADBBJSA-N 322.409 -0.525 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)[C@H](C)NC(=O)CC)C1 1190307625 KVHDRPYDMJFSMF-QWHCGFSZSA-N 324.425 -0.264 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CN(Cc2cccc(C#N)c2)C[C@H]1O 1190676987 WHCURKPXTXJFDD-HUUCEWRRSA-N 316.361 -0.644 30 20 DBED N#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)CC2CCCC2)C1 1190750934 SBSOHOTVCLPWII-CHWSQXEVSA-N 308.382 -0.632 30 20 DBED CCn1ncnc1CN1C[C@@H](O)[C@H](NC(=O)CSCC#N)C1 1191161740 JHKPBHMSMILZCJ-GHMZBOCLSA-N 324.410 -0.784 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@H]1CCN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1191858602 BOCDJFMTIDPFCK-SEBNEYGDSA-N 319.405 -0.451 30 20 DBED C#CCCN(C)[C@H]1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)C1 1192631573 FPSCGNASBYUFNI-LBPRGKRZSA-N 318.377 -0.746 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)C2(COC)CCOCC2)C1 1193577298 OBZFABZCGPDBTK-ZIAGYGMSSA-N 310.394 -0.386 30 20 DBED CC(C)(C)C(=O)NCCCC(=O)N[C@@H]1CN(CC#N)C[C@H]1O 1195158462 ZVFFQVLSPQLRAT-VXGBXAGGSA-N 310.398 -0.386 30 20 DBED C#CCNC[C@@H]1CN(C(=O)[C@@]2(C)CCC(=O)NC2)CCCO1 1201225462 JPHSXMRETDOGJW-CJNGLKHVSA-N 307.394 -0.257 30 20 DBED N#CCNC[C@@H]1CN(C(=O)[C@H]2CCCCC(=O)N2)CCCO1 1201389852 NLAHDROKSCYVQX-CHWSQXEVSA-N 308.382 -0.224 30 20 DBED C=C(C)CNC1CCN(C(=O)CNS(=O)(=O)NC)CC1 1201831407 XXIRJHYAWLLEHD-UHFFFAOYSA-N 304.416 -0.803 30 20 DBED COCC#CCN[C@H]1C[C@@H](NC(=O)CNC(N)=O)C12CCC2 1202431010 YJTAVROLVYTLKB-NWDGAFQWSA-N 308.382 -0.679 30 20 DBED C#CCNC(=O)CC(=O)N1CCC(CN[C@@H](CC)C(N)=O)CC1 1205050177 LGFUOOFECULMRN-ZDUSSCGKSA-N 322.409 -0.782 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)[C@@H]2CCO[C@@H]2C)CC1 1206687604 BIMMDTUGYULLTL-UKRRQHHQSA-N 321.421 -0.011 30 20 DBED COCC1(CC(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@H]2C)CC1 1206953944 MMBFHDPZEZIKCR-CHWSQXEVSA-N 322.409 -0.121 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(CC(=O)N(C)CC)C[C@H]1C 1206963741 NBJASEAFFYMOEI-MGPQQGTHSA-N 309.410 -0.061 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@H](NCc2ncnn2C)C1 1207870007 OHEUBMOUNUSNOZ-LBPRGKRZSA-N 318.381 -0.965 30 20 DBED N#CCN[C@@H]1CCCN(C(=O)CCCn2c(O)nnc2O)C1 1208463733 RUMSWWBNVGMURI-SNVBAGLBSA-N 308.342 -0.426 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)[C@@H](CC)NC(C)=O)[C@H](C)C1 1208818718 ZLAYTMLYWUHOPT-MRVWCRGKSA-N 322.409 -0.913 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)[C@@]2(C)CCCOC2)[C@H](C)C1 1209783654 DYABAKKLTZVJBP-CPUCHLNUSA-N 321.421 -0.011 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCCN(C(=O)c2ccnnc2)C1 1209809782 YLFZZPFQFVLKJC-GXTWGEPZSA-N 315.377 -0.191 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)c2ccnn2C)[C@H](OC)C1 1211981902 HBZUEOFCZLFNFJ-DGCLKSJQSA-N 321.381 -0.849 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2cnn(C)n2)C[C@H]1OC 1213961433 CRTIWILRBAEIFY-IACUBPJLSA-N 323.397 -0.278 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1OC 1213966926 YIGLFLSEFILLPK-JHJVBQTASA-N 324.381 -0.967 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@H](C)n2cncn2)C[C@H]1C 1214456561 IXSYWMMLAJJNQA-FRRDWIJNSA-N 320.397 -0.422 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@H]1C 1214902453 PXFWJOZWUJHMMI-IJLUTSLNSA-N 322.409 -0.928 30 20 DBED C=CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)C[C@@H](C)NC(N)=O 1217895748 UZJZNNLXEKARKG-FRRDWIJNSA-N 310.398 -0.079 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)CC(C)(C)C)C1 1219200053 RVFVRCXELHHGMC-XQQFMLRXSA-N 309.410 -0.278 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)CCCN2C(=O)CCC2=O)C1 1219748322 SLQADYSYWCKIGY-OLZOCXBDSA-N 321.377 -0.900 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)C(=O)Nc2ccc(Cl)cc2)C1 1219963616 WVXCXXIVWAWVKL-NEPJUHHUSA-N 322.752 -0.037 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1CN(CCCS(C)(=O)=O)C[C@@H]1O 1220148015 UKJVJAXILIKOMU-NEPJUHHUSA-N 318.439 -0.205 30 20 DBED N#CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3ccncc3)[C@@H]2C1 1221227521 RKEXBUFSPNXWCC-ZIAGYGMSSA-N 313.361 -0.132 30 20 DBED COCC#CCN1CC[C@@H]2CN(C(=O)[C@H]3CN(C)CCO3)[C@@H]2C1 1221461200 AHJJMYOEEQBOAH-BZUAXINKSA-N 321.421 -0.501 30 20 DBED C#CCOCCC(=O)NCC1CCN(Cc2nc(O)n[nH]2)CC1 1223174444 GWRCORSAKAPCAP-UHFFFAOYSA-N 321.381 -0.122 30 20 DBED N#CCNC(=O)CN1CCC(CNC(=O)c2ncccn2)CC1 1224921796 WCYISYXTAWADAP-UHFFFAOYSA-N 316.365 -0.442 30 20 DBED C#CCN[C@@H]1CCCC[C@H]1NC(=O)[C@H](CCC(N)=O)NC(C)=O 1229150578 KKBZNJMAFTWQGF-MCIONIFRSA-N 322.409 -0.593 30 20 DBED C=CCN1CCS(=O)(=O)[C@H](CCNC(=O)CCOC)C1 1230398681 IAXDSKSINUJVRN-GFCCVEGCSA-N 304.412 -0.186 30 20 DBED CCOCCC(=O)NCC[C@H]1CN(CC#N)CCS1(=O)=O 1230436143 LOIXMZYBAGSJIC-LBPRGKRZSA-N 317.411 -0.458 30 20 DBED N#CCN(CCCNC(=O)[C@H]1CNC(=O)N1)Cc1cccnc1 1230830098 WMBBNEYAAKLTFA-CYBMUJFWSA-N 316.365 -0.405 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C[C@@H]1CCN1Cc1nnn(C)n1 1234215157 JFUCMXRXLOFAMI-NEPJUHHUSA-N 306.370 -0.719 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@H]1CN(C)C(=O)CCOCC#C 1234246063 IGPPYFZFOQFORD-CABCVRRESA-N 319.405 -0.303 30 20 DBED C#CCO[C@H](C)C(=O)N1CCCC[C@H]1CNCc1nnnn1C 1317183957 UHTODTICFHHYCH-OLZOCXBDSA-N 320.397 -0.281 30 20 DBED C=CCSCCNC(=O)C(=O)N1CC(OCCOC)C1 1322106744 GJPDFAIEQVNHCV-UHFFFAOYSA-N 302.396 -0.104 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)NCCOC[C@@H]1CCOC1 1323497737 VJNFIWLBWNUJED-NEPJUHHUSA-N 300.355 -0.527 30 20 DBED C=C(C)COCCNC(=O)C(=O)N1C[C@@H](C)O[C@@H](COC)C1 1323604290 URLUUNMVZZOPBS-CHWSQXEVSA-N 314.382 -0.042 30 20 DBED N#CCNC(=O)CNC(=O)[C@@H]1CC[C@H](C(F)(F)F)NC1=O 1324391621 OSDYLEXAXUPUFJ-NKWVEPMBSA-N 306.244 -0.801 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@H]1C[C@@H](C(=O)OC)C1)[C@@H]1CCCO1 1325716685 LEGBABMPTFDGEZ-USZNOCQGSA-N 308.334 -0.649 30 20 DBED C=C[C@H](COC)NC(=O)c1nc(N)nc(N2CCOCC2)n1 1328874192 NYQWMSQHJKVPFQ-SECBINFHSA-N 308.342 -0.779 30 20 DBED N#CCCC[C@@H](N)C(=O)N1CCC[C@H](C(=O)N2CCNCC2)C1 1329465601 PVPSPAAUCOKSTR-UONOGXRCSA-N 321.425 -0.322 30 20 DBED C=CCNC(=O)Cn1nnnc1N1CC[C@@H](C2OCCO2)C1 1337177067 YPBPAVDVKARKMG-SNVBAGLBSA-N 308.342 -0.826 30 20 DBED C=CC[C@H](NC(=O)[C@]1(OC)CCS(=O)(=O)C1)C(=O)OCC 1339407925 GHVHHHYZCDALRH-GWCFXTLKSA-N 319.379 -0.186 30 20 DBED COC(=O)Cn1cc(C(C)=NNc2nccn(C)c2=O)nn1 1340810200 YUTZGRWYDWSHCC-UHFFFAOYSA-N 305.298 -0.619 30 20 DBED CCn1c([C@H]2C[C@@H]2C#N)nnc1N1C[C@H]2C(=O)N(C)C(=O)[C@H]2C1 1342817301 PKUJFQSDHWCGFG-YTWAJWBKSA-N 314.349 -0.024 30 20 DBED C=CCn1cc(CNC(=O)c2nc(C)n(-c3nc[nH]n3)n2)nn1 1345628166 FVYBWYMFXPYPQD-UHFFFAOYSA-N 314.313 -0.599 30 20 DBED CSc1nc(O)c(C(=O)N[C@H]2CN(C)NC2=O)cc1C#N 1362281045 AGWIVWVWMCCSOP-QMMMGPOBSA-N 307.335 -0.544 30 20 DBED C[C@@H]1CN(C(=O)Cn2cc(C#N)c(O)nc2=O)C[C@@]1(C)CO 1362680337 CFFUUJQBRGLDHO-OTYXRUKQSA-N 306.322 -0.703 30 20 DBED COC(=O)[C@](C)(CO)NC(=O)CNC(=O)c1ccc(C#N)cc1 1363257119 SFBRKBWPOVXGGJ-HNNXBMFYSA-N 319.317 -0.672 30 20 DBED CN(C1(CO)CCCC1)S(=O)(=O)N1CCO[C@@H](C#N)C1 1364027844 WWZDFNIRCTVWAN-NSHDSACASA-N 303.384 -0.308 30 20 DBED N#Cc1ccc(S(=O)(=O)CCN2C[C@H](O)[C@@H](CO)C2)nc1 1364417203 MMVWGQQYTGJQFT-NEPJUHHUSA-N 311.363 -0.988 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H]1CCc2nnnn2CC1 1365715170 KFSFYUIEJCQNQR-NXEZZACHSA-N 313.387 -0.696 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@@H]1CCN(C(=O)c2cc(C(N)=O)c[nH]2)C1 1372091781 KUHOHZKBEMYRFM-MWLCHTKSSA-N 317.349 -0.054 30 20 DBED CC(=O)N(C)CC(=O)NC[C@H](C)NC(=O)c1cc(C#N)c[nH]1 1372787525 OZWLKPKIGJVVBU-VIFPVBQESA-N 305.338 -0.401 30 20 DBED Cn1nnnc1CN1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 1374269726 ZJAKUWAJJWUVAQ-UHFFFAOYSA-N 300.326 -0.632 30 20 DBED CCN(CCNC(=O)COCc1nncn1C)C(=O)[C@H](C)C#N 1387292784 DWCJJGUPSSEDOC-LLVKDONJSA-N 322.369 -0.544 30 20 DBED C[C@@H](CNC(=O)c1cn(C)c(=O)n1C)CNC(=O)[C@H](C)C#N 1391288235 VIKLIKSTKDIONB-NXEZZACHSA-N 307.354 -0.634 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CNC(=O)CS(C)(=O)=O)CC1 1407367944 SIPCJXWURAIBLY-JTQLQIEISA-N 315.395 -0.455 30 20 DBED C[C@H](CNC(=O)CN1CCCC1=O)NC(=O)c1cc(C#N)c[nH]1 1410194265 JUDWSOWKRHFLAG-SNVBAGLBSA-N 317.349 -0.257 30 20 DBED COCCN(CCNC(=O)[C@@H](C)C#N)C(=O)[C@@H]1CCC(=O)N1C 1413517605 VTJKHDDLMKKXIO-RYUDHWBXSA-N 324.381 -0.642 30 20 DBED C[C@@H](C#N)C(=O)N(CCNC(=O)c1cnn(C)c1N)C1CC1 1415852397 DLYDWPFIKGBAKQ-VIFPVBQESA-N 304.354 -0.117 30 20 DBED CCCCN(CCCO)C(=O)Cn1cc(C#N)c(O)nc1=O 1417696548 ILZXYFKDQITUNS-UHFFFAOYSA-N 308.338 -0.168 30 20 DBED CCN(CCNC(=O)[C@@H](C)C#N)CC(=O)N1CCO[C@@H](C)C1 1420369792 NUJJTYSBJVFIKD-STQMWFEESA-N 310.398 -0.169 30 20 DBED C[C@H](CN(C)C(=O)CNC(=O)N1CCCC1)NC(=O)[C@H](C)C#N 1427560052 OWRRSZLDWQJODH-VXGBXAGGSA-N 323.397 -0.085 30 20 DBED CNC(=O)c1cccc(C(=O)N[C@H](C)CNC(=O)[C@H](C)C#N)n1 1428785613 BJPXSHAXSDUDAE-NXEZZACHSA-N 317.349 -0.165 30 20 DBED CCN(CCNC(=O)[C@@H](C)C#N)C(=O)c1nc2ncccn2n1 1431688546 OHQCZQPNRFPILG-JTQLQIEISA-N 315.337 -0.138 30 20 DBED Cc1ncnc(O)c1CCC(=O)NCCn1cnc(C#N)n1 1434432252 VJKVKZNFQNGRJN-UHFFFAOYSA-N 301.310 -0.297 30 20 DBED C=C(Cl)CNC[C@H](O)CN(C)C(=O)c1ccn2nnnc2c1 1441977375 BGFXZYMJCQLQRY-NSHDSACASA-N 324.772 -0.101 30 20 DBED N#Cc1cn(CC(=O)N2[C@H]3CC[C@H]2CC(=O)C3)c(=O)nc1O 1448159686 QYTYBBHUBLYDDJ-UWVGGRQHSA-N 302.290 -0.457 30 20 DBED COC(=O)C1(C#N)CCN(C(=O)c2cnn(CCO)c2)CC1 1449432300 RPHUFCQEADRQCH-UHFFFAOYSA-N 306.322 -0.206 30 20 DBED CO[C@@H](C(=O)N(C)CCNC(=O)[C@H](C)C#N)c1cnn(C)c1 1528596969 PJZVBBZCCKCWLQ-ZYHUDNBSSA-N 307.354 -0.158 30 20 DBED CCc1nnc(N(C)C[C@@H](C)C#N)n1CCS(=O)(=O)NC 1546413872 CZZYFBLERWXAJT-JTQLQIEISA-N 314.415 -0.014 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@H](NC(=O)CNC(=O)O)C(C)C 1573348635 YRLUZKJWYCBMNR-HZMBPMFUSA-N 315.370 -0.162 30 20 DBED N#C[C@@H]1CNCC12CC(C(=O)N1C[C@@H](CCO)[C@@H](CO)C1)C2 1580042288 QBQRCGNJKBXNLK-AYVTUFRQSA-N 307.394 -0.425 30 20 DBED N#C[C@]12CN(C(=O)c3ccc(N)nc3)C[C@H]1CS(=O)(=O)C2 1580057332 RWHBAGQVSKUVDQ-GXFFZTMASA-N 306.347 -0.326 30 20 DBED C[C@@H]1CN(c2cnc(-c3nn[nH]n3)c(C#N)n2)CCS1(=O)=O 1580354050 GMEXAKDPRYPVQT-SSDOTTSWSA-N 320.338 -0.848 30 20 DBED C[C@H]1CN(c2cnc(-c3nn[nH]n3)c(C#N)n2)CCS1(=O)=O 1580446641 GMEXAKDPRYPVQT-ZETCQYMHSA-N 320.338 -0.848 30 20 DBED O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CC2(CCNC2)C1 1580839292 INEYBLLKSXWUMB-SEYXRHQNSA-N 319.365 -0.482 30 20 DBED N#Cc1ncn(C[C@@](O)(C(N)=O)c2ccccc2)c1-c1nn[nH]n1 1581885823 NWZJGWIJQCAPMR-AWEZNQCLSA-N 324.304 -0.692 30 20 DBED C#CCN(CC(=O)O)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O 1588410697 YVCJPTGWXIFKOT-NSHDSACASA-N 319.321 -0.745 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CCN(c2ncc(C(=O)O)cn2)C1 1588490457 NGIXYICMGPPFCY-ZYHUDNBSSA-N 318.333 -0.092 30 20 DBED C=C(C)C[C@@H](NS(=O)(=O)CCCS(C)(=O)=O)C(=O)O 1588553176 IQTBGSVUHGQITR-SECBINFHSA-N 313.397 -0.240 30 20 DBED CN(C(=O)c1ccc(-c2nn[nH]n2)[nH]1)[C@H]1CCN(CC#N)C1 1590991522 VKCSFIUYSDJLLW-VIFPVBQESA-N 300.326 -0.135 30 20 DBED CO[C@H](CS(=O)(=O)N(CC#N)CC(=O)O)[C@H]1CCOC1 1599058811 LWKBEKMLYRNPGJ-VHSXEESVSA-N 306.340 -0.722 30 20 DBED COc1cc(C#N)ccc1OCC(=O)N1CC(O)(C(=O)O)C1 1599348046 RNHUGUBJTKKMCI-UHFFFAOYSA-N 306.274 -0.396 30 20 DBED N#Cc1ccc(S(=O)(=O)N[C@H]2CNC(=O)C2)c(C(=O)O)c1 1601112733 MPAZEBXJGJUQOU-MRVPVSSYSA-N 309.303 -0.577 30 20 DBED N#Cc1ncn(CC(=O)NCCCN2CCC(C(=O)O)CC2)n1 1601135378 STRYDDZGSKRCBO-UHFFFAOYSA-N 320.353 -0.547 30 20 DBED O=C(O)CCN1CCC[C@@H](n2ccc(C=NO)nc2=O)C1=O 1602012622 KSEABIKAKUHBEQ-SNVBAGLBSA-N 308.294 -0.310 30 20 DBED C#CC[C@H](CCOC)NS(=O)(=O)c1n[nH]cc1C(=O)O 1602683188 KNIKFDFRPLNUTJ-MRVPVSSYSA-N 301.324 -0.185 30 20 DBED C[C@@H](C#N)C(=O)NC/C=C\CNc1cnc(-c2nn[nH]n2)cn1 1602982967 CKBHHLWESVNEMS-XADBCAIWSA-N 313.325 -0.099 30 20 DBED Cc1oc2ncn(C)c(=O)c2c1C(=O)N[C@H]1CNC[C@H]1C#N 1645868417 AXFXJFNXHPJSKO-BDAKNGLRSA-N 301.306 -0.324 30 20 DBED CC(C)[C@H](NC(=O)NCCn1cnc(C#N)n1)c1nncn1C 1649799689 GIJYDOJKLIUALG-NSHDSACASA-N 317.357 -0.025 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[C@@H](O)[C@@H](CO)C1 1649873485 KZKXSYBJHWDKAF-IJLUTSLNSA-N 305.400 -0.612 30 20 DBED CC#CCN1CCCC[C@@H]1CNC(=O)Cn1ncn(C)c1=O 1752828122 QFIQALBPVBAEEH-CYBMUJFWSA-N 305.382 -0.424 30 20 DBED CN1CCC[C@H]1C(=O)NC1CCC(NCC(=O)NCC#N)CC1 1752847941 FVHFRHHMQGOENI-RUXDESIVSA-N 321.425 -0.263 30 20 DBED C#CCNC(=O)CN[C@H](C)CNC(=O)[C@@H](C)c1c(C)n[nH]c1C 1752907489 DWVGDKVQZXZIGX-MNOVXSKESA-N 319.409 -0.026 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](CN[C@@H](C)c2nnnn2C)C1 1752937898 DDVBZXIVBUQLKO-STQMWFEESA-N 320.397 -0.251 30 20 DBED C=C(C)CCC(=O)NCCN(C)Cc1cc(=O)n(C)c(=O)n1C 1753050031 DDUCKYGBTYFSHF-UHFFFAOYSA-N 322.409 -0.012 30 20 DBED C#CCNC(=O)CN(C)CCNC(=O)[C@H]1CCc2cccnc21 1753061358 OONYOIVSGMBOPG-AWEZNQCLSA-N 314.389 -0.091 30 20 DBED C#CCNC(=O)CN(CCNC(=O)[C@H]1C[C@@H](C)CO1)C1CC1 1753157155 XMKGOHVIJQMROU-TZMCWYRMSA-N 307.394 -0.259 30 20 DBED C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCS(=O)(=O)N1 1753427260 FHJGKFJPCOGBTL-AVGNSLFASA-N 313.423 -0.071 30 20 DBED CC#CCN1CC[C@@H](N(CC)C(=O)CN2CCOCC2=O)C1 1753457369 OQRCSNNJIJZPTD-CQSZACIVSA-N 307.394 -0.209 30 20 DBED C[C@H](CNCC(=O)NCC#N)CNC(=O)c1ccc(F)nc1 1753606763 DUJZZPKIBJTVHQ-SNVBAGLBSA-N 307.329 -0.184 30 20 DBED CN1CC(=O)N(CC(=O)N[C@@H]2CCC[C@H]2CNCC#N)C1=O 1753897780 OBNLWBIFUORIKO-WDEREUQCSA-N 307.354 -0.722 30 20 DBED CCOc1nc(C(=O)NC[C@H](O)CNCC#CCOC)co1 1753918475 WCHNBSKGMDJRHC-LLVKDONJSA-N 311.338 -0.597 30 20 DBED C#CCNC(=O)CNCCCN(C)C(=O)c1ccnn1CC 1754366883 ADDTVJIVGIMXDX-UHFFFAOYSA-N 305.382 -0.296 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2nonc2C)[C@H](C)C1 1754603298 ITUAQLGEFDBCOQ-PWSUYJOCSA-N 319.365 -0.290 30 20 DBED C[C@@]1(NC(=O)COCC2CC2)CCN(CC(=O)NCC#N)C1 1754666941 IJHNRDKOEXKKMR-OAHLLOKOSA-N 308.382 -0.367 30 20 DBED CN(C)S(=O)(=O)CC(=O)NC[C@]1(C)CCCN(CC#N)C1 1754732890 DUKKZVYCWJZSIV-ZDUSSCGKSA-N 316.427 -0.380 30 20 DBED N#CCN1CCC[C@@](CO)(NC(=O)[C@H]2CCc3nncn3C2)C1 1754861446 MIJYDJKXUVQYHX-SWLSCSKDSA-N 318.381 -0.693 30 20 DBED C#Cc1ccc(C(=O)N(CCO)CCN[C@@H](CC)C(N)=O)nc1 1754896833 RTAVACYGWTYBAC-ZDUSSCGKSA-N 318.377 -0.649 30 20 DBED CCC1(NCC#N)CCN(C(=O)CCNS(C)(=O)=O)CC1 1755069129 MRWGRBTYGKZCCN-UHFFFAOYSA-N 316.427 -0.190 30 20 DBED C[C@@H](CN(C)C(=O)CC[C@@H]1CCCN1C)NCC(=O)NCC#N 1755591201 HZTJLNLNTARDRV-KBPBESRZSA-N 323.441 -0.063 30 20 DBED Cn1cnc(C(=O)NC[C@H](CO)NCC#Cc2ccccc2)n1 1755625732 QPMAJRYXGOFZFZ-CQSZACIVSA-N 313.361 -0.453 30 20 DBED C=CCCCC(=O)NCC1[C@@H]2CN(C(=O)Cn3ncnn3)C[C@@H]12 1756208512 QIQAUJLYOYJGJO-STQMWFEESA-N 318.381 -0.150 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CC2(CCN(C(=O)C(N)=O)CC2)CO1 1756241018 TZSQPBOPBJGWIT-GHMZBOCLSA-N 322.365 -0.855 30 20 DBED C=C1CC(C)(C(=O)N[C@H](CO)CNC(=O)C[C@@H]2CCC(=O)N2)C1 1756532326 HPQHTGCFRANXLA-RYUDHWBXSA-N 323.393 -0.395 30 20 DBED C=CCC(=O)N1CC[C@]2(C1)CN(C(=O)Cn1nccn1)CCO2 1783917574 LNDQKSDZHYXXMS-HNNXBMFYSA-N 319.365 -0.316 30 20 DBED CCC(=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC#N)[C@H]2C1 1786368415 FVCNVWWZONEGOE-GVXVVHGQSA-N 307.350 -0.141 30 20 DBED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ncn(C)n3)C[C@@H]21 1790790819 LQLXUXMSFDSFRV-SRVKXCTJSA-N 317.349 -0.958 30 20 DBED C#CCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)C 1795186613 YOQBKGSRJWCWHG-XOIINTDNSA-N 321.421 -0.059 30 20 DBED C#CC(=O)N1CCCC12CN(C(=O)/C=C\C(=O)NCC=C)C2 1845957774 MAZIFJHVSLVQTQ-SREVYHEPSA-N 301.346 -0.319 30 20 DBED C#CCNC(=O)N1CCN(CC(=O)Nc2cc(C)on2)CC1 22390617 RUUIJCMGHRJIPF-UHFFFAOYSA-N 305.338 -0.118 30 20 DBED C#CCSCCNC(=O)NC1CCN(CC(=O)NC)CC1 153631606 ZCZXISHAYNXPFT-UHFFFAOYSA-N 312.439 -0.138 30 20 DBED C#CCN1CCN(C(=O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)CC1 195336808 DWUIGJJRCJPDOL-OKILXGFUSA-N 317.389 -0.061 30 20 DBED C#CC[C@@H](NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)C(=O)O 227511805 MLKLCYMHODWJJY-VHSXEESVSA-N 302.352 -0.749 30 20 DBED CCS(=O)(=O)CCN/C(=N/C)N1CCN(C(C)=O)CC1 263242506 LTWMJNMHHNRYKE-UHFFFAOYSA-N 304.416 -0.839 30 20 DBED CNC(=NCCC(=O)N1CCN(c2ncccn2)CC1)NC 264254105 HXQNZQKAMCCOND-UHFFFAOYSA-N 305.386 -0.690 30 20 DBED C#Cc1cccc(NC(=O)C(=O)NC[C@H]2CC[C@H](C(N)=O)O2)c1 268419488 FGVOTVJIQMSPMW-CHWSQXEVSA-N 315.329 -0.245 30 20 DBED C=CCN1CC[C@H](N(C)[C@@H]2CCN(S(C)(=O)=O)C2)C1=O 330275288 LHAYVAOLIRRYEH-NEPJUHHUSA-N 301.412 -0.261 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N1C[C@H](CO)OC[C@@H]1C 336953821 WXKGCPHRPMMRCT-GRYCIOLGSA-N 305.400 -0.206 30 20 DBED N#CCNC(=O)CNC(=O)NCCOc1ccc2c(c1)OCO2 344350606 OJQBQYCTVCGHTM-UHFFFAOYSA-N 320.305 -0.267 30 20 DBED N#Cc1ccc(S(=O)(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)o1 344674067 XSRRYUGCGAYKNN-MRVPVSSYSA-N 310.291 -0.924 30 20 DBED C=CCOC[C@@H](NS(=O)(=O)C[C@H]1CCOC1)C(=O)OC 360618284 HYICFJXQXOALMQ-WDEREUQCSA-N 307.368 -0.314 30 20 DBED N#C[C@H]1N(C(=O)CN2CC(=O)NC2=O)CCC[C@@]12CCCCO2 377280323 ZNKVPZSZNSOGKI-ABAIWWIYSA-N 320.349 -0.008 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CCN(S(C)(=O)=O)CC1 407956195 UORYWWKVVWCLPO-UHFFFAOYSA-N 324.428 -0.956 30 20 DBED N#CCCC[C@H](N)C(=O)N1CCN(CC(=O)N2CCCC2)CC1 424130952 FWDLNFGXHFWKRL-AWEZNQCLSA-N 321.425 -0.226 30 20 DBED C=CCOC[C@H](NC(=O)[C@@H]1COCCN1CC)C(=O)OC 435947474 FFWMINMMYRYGLL-RYUDHWBXSA-N 300.355 -0.433 30 20 DBED C[C@@H](C(=O)N1CCN(CC(N)=O)C(=O)C1)c1cccc(C#N)c1 458073602 PAZHZABODBJIOY-LLVKDONJSA-N 314.345 -0.182 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2ccc(F)cn2)CC1 491418042 PIEJWVUHKVGZHH-UHFFFAOYSA-N 304.325 -0.272 30 20 DBED CC(C)(C)OC(=O)N1CC(NC(=O)Cn2cnc(C#N)n2)C1 493604734 IQQXARJBQOLMKO-UHFFFAOYSA-N 306.326 -0.115 30 20 DBED COCCN(CCO)C(=O)C(=O)Nc1ccc(C#N)cc1OC 527376149 HRCNQHZUJYMOFD-UHFFFAOYSA-N 321.333 -0.027 30 20 DBED N#Cc1ccccc1OC[C@H](O)CN1CC[C@@H](CO)[C@@H](O)C1 528469367 GTXCNLFJYYPZLI-ZNMIVQPWSA-N 306.362 -0.027 30 20 DBED CS(=O)(=O)N1CCC[C@H](C(=O)N2CCOC[C@H]2C#N)C1 528665918 HIXZAQGRYRAACK-WDEREUQCSA-N 301.368 -0.591 30 20 DBED N#C[C@H]1CN(S(=O)(=O)NCc2cnn3ccccc23)CCO1 560482463 CKMJMRDBCYJROD-LBPRGKRZSA-N 321.362 -0.107 30 20 DBED CCCCS(=O)(=O)N1CCC[C@H]1C(=O)NCC#CCO 561950764 IWHNECNJGBQHFC-LBPRGKRZSA-N 302.396 -0.307 30 20 DBED Cc1nc(NC(=O)C(=O)N2CCc3ccc(C#N)cc32)nn1C 578011464 PEPINKGKIVBWPT-UHFFFAOYSA-N 310.317 0.523 30 20 DBED N#Cc1ccc(C(=O)NCCOCCS(N)(=O)=O)s1 598735512 RJSIGTNHRAETJL-UHFFFAOYSA-N 303.365 -0.345 30 20 DBED CCOC(=O)c1cc(S(=O)(=O)NCC#CCO)cn1C 601456496 MVHQLGUCOVUQNR-UHFFFAOYSA-N 300.336 -0.524 30 20 DBED CN(C)S(=O)(=O)N1CCN(C(=O)NCCCC#N)CC1 612164931 JJEKKUUNEHRXRC-UHFFFAOYSA-N 303.388 -0.576 30 20 DBED C=CCN(C(=O)C1CCN(S(N)(=O)=O)CC1)[C@H](C)COC 617577840 XEHNQYBMJFOQSX-LLVKDONJSA-N 319.427 -0.049 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)c2n[nH]c3c2CCC3)CC1 642628395 YSKOFDSKYBKDIJ-UHFFFAOYSA-N 317.393 -0.042 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCCNCC2)C1=O 648119561 FHSZJWURDWMKMK-JTQLQIEISA-N 308.338 -0.779 30 20 DBED C=CC[C@H](CO)CNC(=O)NCC(C)(C)NS(C)(=O)=O 678779963 WWOHLXOMQVDAFX-JTQLQIEISA-N 307.416 -0.202 30 20 DBED C[C@@H](OC(=O)CNC(=O)c1ccc(C#N)cc1)C(=O)NC(N)=O 727011069 XRNHKPWPNSJCAW-MRVPVSSYSA-N 318.289 -0.585 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C 770111841 FZTOWRBMQWLFMV-VHSXEESVSA-N 318.395 -0.369 30 20 DBED C=CCNS(=O)(=O)c1cccc(C(=O)NOCCO)c1 776584552 VEVPPTFKKZSEGH-UHFFFAOYSA-N 300.336 -0.195 30 20 DBED C#CCOCCNC(=O)NCC1CCN(S(C)(=O)=O)CC1 784256950 HLXSSQILSJYIRY-UHFFFAOYSA-N 317.411 -0.393 30 20 DBED CCN(CC)S(=O)(=O)CC(=O)[C@@H](C#N)C(=O)NC(C)C 784828475 GHQXJFDUGWMUBS-SNVBAGLBSA-N 303.384 -0.109 30 20 DBED N#CCNC(=O)CNS(=O)(=O)c1ccc2oc(=O)ccc2c1 796218478 UWJPYRXRVUWSFW-UHFFFAOYSA-N 321.314 -0.289 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)CCOCC)CC1 831561543 ZKINORJOAWWRJE-UHFFFAOYSA-N 303.384 -0.975 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)c2ccn(C)c2)CC1 831564626 CSGUJOHAPWMTDS-UHFFFAOYSA-N 310.379 -0.750 30 20 DBED C=C(C)CONC(=O)C(=O)Nc1cnn(CC(=O)OC)c1C 846147981 ZTAMKPFWXIPXND-UHFFFAOYSA-N 310.310 -0.073 30 20 DBED C#CCOc1cccc(NC(=O)C(=O)NC[C@H]2COCCN2)c1 861519390 LLIGCYYJRMETKZ-ZDUSSCGKSA-N 317.345 -0.258 30 20 DBED N#CC1(CS(=O)(=O)NC(=O)c2cnc(C(=O)O)cn2)CCC1 863959086 SOOIPRUCTAWGQB-UHFFFAOYSA-N 324.318 -0.072 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N1CCn2nc(C)nc2C1 875599670 SKQAKZBWUMFBLV-LBPRGKRZSA-N 319.365 -0.527 30 20 DBED CN(CC(=O)OCC(=O)N[C@](C)(C#N)C1CC1)S(C)(=O)=O 914924616 FYCXXFHKOVTRNL-GFCCVEGCSA-N 317.367 -0.771 30 20 DBED Cn1nncc1C(=O)N1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 937796505 YMQGIERNIYDCKZ-JTQLQIEISA-N 313.321 -0.341 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](N(C)C(=O)c2nccnc2N)C1 939394650 AKJDBSYHSHFXAO-VHSXEESVSA-N 302.338 -0.109 30 20 DBED CO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1NC(=O)c1cnnc(O)c1 942164652 SCBAQEZQNOVGHJ-FBIMIBRVSA-N 319.321 -0.703 30 20 DBED CO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1NC(=O)[C@@H]1[C@H]2COC[C@H]21 945463248 XBSREYWKLIZLBC-LSUSWQKBSA-N 307.350 -0.620 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CNC(=O)[C@@H]2CN(C)C(=O)N2)CC1 949394447 RTHGMBGEBCZIEB-PWSUYJOCSA-N 321.381 -0.476 30 20 DBED N#Cc1cc(C(=O)N2CC[C@H]2CNC(=O)[C@@H]2CCNC2=O)c[nH]1 951459869 NKPZMBRXXKKWNV-NWDGAFQWSA-N 315.333 -0.647 30 20 DBED Cc1nc(CC(=O)N[C@@H]2CCCN(C(=O)[C@H](C)C#N)C2)n[nH]1 951868974 ZGNDZLDGLKJILG-MWLCHTKSSA-N 304.354 -0.078 30 20 DBED CCN(C(=O)[C@H]1CCN(C)S1(=O)=O)C1CN(CC#N)C1 952446880 ZVDPHNKFLROOJB-LLVKDONJSA-N 300.384 -0.923 30 20 DBED C=CC(C)(C)C(=O)N1CCC[C@H]1CNC(=O)[C@H]1CNC(=O)N1 956136120 QKXQKPGZBRVAIC-WDEREUQCSA-N 308.382 -0.013 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@](C)(NC(=O)c2cc(=O)n(C)o2)C1 956865430 QVMVHXPWTXQQGS-XPTSAGLGSA-N 306.322 -0.141 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2cncc(COC)c2)C1 958155559 DCNUKTDMGSLXFE-CABCVRRESA-N 303.362 -0.116 30 20 DBED C=CCN1C[C@H](O)[C@H](CNC(=O)c2cn3c(n2)COCC3)C1 958179217 JZNRJQSNGYPQQA-YPMHNXCESA-N 306.366 -0.378 30 20 DBED C=CCN1C[C@H](O)[C@H](CNC(=O)c2cccc(C(=O)NC)n2)C1 958629806 DIQHZDMQAWZYTP-RISCZKNCSA-N 318.377 -0.350 30 20 DBED C=CCCN1C[C@@H](O)[C@@H](CNC(=O)c2c[nH]c(C(N)=O)c2)C1 958683118 DMNSITJBWXPVHL-WCQYABFASA-N 306.366 -0.288 30 20 DBED C#CCN1C[C@H](CNC(=O)c2cccc(C(=O)NC)c2)[C@@H](O)C1 958694188 JEEMHWWVRICAHE-GJZGRUSLSA-N 315.373 -0.298 30 20 DBED Cc1n[nH]cc1C(=O)N(C)[C@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1O 958908782 SFMBHORCXLHFNJ-ZHAHWJHGSA-N 305.338 -0.479 30 20 DBED Cn1nnnc1CNCC1CC(NC(=O)c2c[nH]c(C#N)c2)C1 961731388 LOFCLZWZBUNETG-UHFFFAOYSA-N 314.353 -0.292 30 20 DBED N#CCN1C[C@H]2[C@H](NC(=O)c3ccc(-n4ccnc4)nn3)[C@H]2C1 962021956 QHDCNFWJEGOHIW-YABSGUDNSA-N 309.333 -0.154 30 20 DBED CCc1nc(C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2O)co1 962405150 QSZZYYLWLUYQRP-YPMHNXCESA-N 317.345 -0.048 30 20 DBED C=C(Cl)CN1C[C@H]2[C@H](NC(=O)C[C@@H]3CC(=O)NC3=O)[C@H]2C1 963104810 XJPYCLQIABJOQU-DNJQJEMRSA-N 311.769 -0.162 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)c1cnnc(O)c1 964237862 QLEFHFARBASSPI-KOLCDFICSA-N 319.321 -0.701 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CN(C(=O)c3cnns3)CCO2)C1 965317645 UIFTXYPXYZKCHY-VIFPVBQESA-N 321.362 -0.249 30 20 DBED C[C@H]1CN(C(=O)CC(N)=O)C[C@@H]1NC(=O)c1ccc(C#N)[nH]1 966250503 QMFMQSOUCPACRD-KWQFWETISA-N 303.322 -0.662 30 20 DBED C=C(C)CN1CC[C@H](C)[C@H](NC(=O)CN2CC(=O)NC2=O)C1 968431112 JBCXWSVIATVIPT-NWDGAFQWSA-N 308.382 -0.059 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1nccn1 969091514 KFMLKRFFPNMMGO-UTUOFQBUSA-N 302.338 -0.360 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@]2(CN(Cc3nncn3C)CCO2)C1 972297976 OYOMDUZPANLSMP-IUODEOHRSA-N 318.381 -0.222 30 20 DBED C#CCCN1CCO[C@@]2(CCN(C(=O)c3cnn(C)c3N)C2)C1 972354912 HAZBRVGUROZXOE-INIZCTEOSA-N 317.393 -0.058 30 20 DBED C#CCCN1CCO[C@@]2(CCN(C(=O)[C@H]3CC(=O)N(C)C3)C2)C1 972410358 VKAZAVGDUCFTJB-YOEHRIQHSA-N 319.405 -0.209 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)[C@H]3CCCC(=O)N3)C2)C1 972425561 OVXWNTYZFNAXCQ-CJNGLKHVSA-N 305.378 -0.408 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)c3cn(C)nn3)C[C@H]21 974976263 UJZKBXOXIVDWCA-HOSYDEDBSA-N 302.338 -0.352 30 20 DBED C[C@@H](C(N)=O)N1C[C@H]2[C@H](CNC(=O)c3ccc(C#N)[nH]3)[C@H]2C1 978024454 UTYBXCDLJOFSRY-PDEGPIFNSA-N 301.350 -0.332 30 20 DBED C=CCCn1cc(C(=O)N[C@@H]2CCC[C@@H](NCC(N)=O)C2)nn1 981377390 CLVMKLQONMRVJT-VXGBXAGGSA-N 320.397 -0.030 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H](NC(=O)[C@H]2CCCC(=O)N2)C1 989266066 XLBXKZKIPJKEDI-GRYCIOLGSA-N 306.366 -0.078 30 20 DBED CC#CCN1CC[C@@]2(NC(=O)Cn3c(O)nnc3O)CCC[C@@H]12 992442299 BQSXXKSHISZXOX-ABAIWWIYSA-N 319.365 -0.174 30 20 DBED N#CCN[C@@H]1CCC[C@@H]2CN(C(=O)c3nnc(O)nc3O)C[C@H]21 992748654 YKCVIRCLCCLOCU-OPRDCNLKSA-N 318.337 -0.363 30 20 DBED C#CCN1CCC(C(=O)NC2CN(C(=O)[C@H]3CCCO3)C2)CC1 993854117 XNAZJSKNOVDMBP-OAHLLOKOSA-N 319.405 -0.162 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)[C@H]3COC(=O)N3)C2)cc1 997329579 VHBJLUKPSHMXRE-CYBMUJFWSA-N 313.313 -0.283 30 20 DBED N#CCN1CC[C@H](n2cc(CNC(=O)c3ccon3)nn2)C1 999954027 CUYKLQAYOCAPSS-NSHDSACASA-N 301.310 -0.034 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CCC(=O)N2)C1 1000009141 NHCRFLITHZRTQS-WOPDTQHZSA-N 307.350 -0.817 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@H](C)C#N)C1 1002830422 RPEBTPMEUGTZGP-OCCSQVGLSA-N 302.378 -0.182 30 20 DBED C#Cc1ccc(C(=O)NCC2CN(C(=O)c3nnn(C)n3)C2)cc1 1003536007 KMADXIRKZFGLAS-UHFFFAOYSA-N 324.344 -0.307 30 20 DBED C[C@@H](C#N)C(=O)N1CC([C@H](C)NC(=O)C2CS(=O)(=O)C2)C1 1006144990 PJMBHCIOQPTRAG-IUCAKERBSA-N 313.379 -0.846 30 20 DBED CC#CCN1CCC[C@H](NC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 1008014852 HVWMIAWCKGKGHE-JSGCOSHPSA-N 315.377 -0.031 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](NC(=O)c2cnnn2C)C(C)(C)C1 1008092267 KKICGHKYSCXTBR-MWLCHTKSSA-N 304.354 -0.058 30 20 DBED C[C@H]1[C@@H](NC(=O)c2cnnn2C)CCN1C(=O)C#CC1CC1 1011739930 WVXQNYNTGZUULI-JQWIXIFHSA-N 301.350 -0.052 30 20 DBED Nc1nccnc1C(=O)NC1[C@H]2CN(C(=O)C#CC3CC3)C[C@H]12 1012878607 IADQWITZICBKCR-QWRGUYRKSA-N 311.345 -0.341 30 20 DBED C[C@@H]1[C@@H](NC(=O)C(N)=O)CCCN1C(=O)c1ccc(C#N)[nH]1 1015177339 HVWWISUVODCXNG-SCZZXKLOSA-N 303.322 -0.519 30 20 DBED C=C(C)CCN1CC[C@@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)C1 1015790361 IDGVYKNKEYYVRZ-LLVKDONJSA-N 322.365 -0.436 30 20 DBED C#CCN1CCC2(CC1)C[C@H]2NC(=O)c1cnc(O)n(C)c1=O 1016768500 YIXWTMVBPAAOHS-GFCCVEGCSA-N 316.361 -0.297 30 20 DBED C[C@@H](C#N)C(=O)N1CC=C(CNC(=O)[C@H]2CCNC(=O)C2)CC1 1017375926 TWZIDBMGYLRYAP-AAEUAGOBSA-N 318.377 -0.053 30 20 DBED Cc1nnsc1C(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1023026273 AAIDQCLNURIYFU-GHMZBOCLSA-N 320.374 -0.439 30 20 DBED N#CCN1CCCC[C@H]1CNC(=O)[C@@H]1Cc2cncn2C(=O)N1 1024569082 YSJZLPGNKHCILW-AAEUAGOBSA-N 316.365 -0.140 30 20 DBED CN(CC#N)[C@@H]1CCCN(C(=O)CCN2C(=O)CCC2=O)C1 1027482735 IBLLJPUKCWQPQF-GFCCVEGCSA-N 306.366 -0.028 30 20 DBED CC#CCN1CC[C@H](CNC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 1028707352 OGOVVKDLYBTMGX-OCCSQVGLSA-N 315.377 -0.173 30 20 DBED C#CCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccn(CCN(C)C)n1 1032408677 BGOHRIQYJFZBDA-KBPBESRZSA-N 301.394 -0.023 30 20 DBED C#CCN1CC[C@@H](N(C)C(=O)c2cn(CC(=O)N(C)C)nn2)C1 1033690635 ZVIINFOVHXWNJK-GFCCVEGCSA-N 318.381 -0.854 30 20 DBED C=CCN1CCO[C@@H](CNC(=O)[C@H]2CCCCS2(=O)=O)C1 1035393376 ZMYGXQKEGKILRV-QWHCGFSZSA-N 316.423 -0.043 30 20 DBED C=CCCN1CCO[C@@H](CNC(=O)[C@H]2CCS(=O)(=O)C2)C1 1035438773 MJYXOOFCCUFARG-STQMWFEESA-N 316.423 -0.186 30 20 DBED C#CCN1CCO[C@H](CNC(=O)[C@@H]2CCc3nnnn3CC2)C1 1035512038 FRKWJXXEBGNAGA-CHWSQXEVSA-N 318.381 -0.924 30 20 DBED C=CCN1CCO[C@@H](CNC(=O)[C@@H]2CCc3nnnn3CC2)C1 1035513750 WQTOISOASUDLHL-OLZOCXBDSA-N 320.397 -0.371 30 20 DBED C#CCCN1CCO[C@@H](CNC(=O)c2cccnc2C(N)=O)C1 1035610720 PACVZBAIMKAGIW-LBPRGKRZSA-N 316.361 -0.366 30 20 DBED Cc1nnc2n1C[C@H](C(=O)NC[C@H]1CN(CC#N)CCO1)CC2 1035614731 QSDPDOAWGZDMPE-OLZOCXBDSA-N 318.381 -0.511 30 20 DBED CC#CCN1CC[C@H]2CN(C(=O)CN3CCNC(=O)C3)CC[C@H]21 1036792770 VENGWRXIRJENCH-LSDHHAIUSA-N 318.421 -0.636 30 20 DBED C=C(C)CN1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1nccnc1C(N)=O 1037724161 YZXOLLBYDFAHQL-OUAUKWLOSA-N 301.350 -0.046 30 20 DBED N#CCN1CC[C@@H]([C@@H]2CCCCN2C(=O)Cn2cnnn2)C1 1039186999 PWOZEJWVFCDSNV-OLZOCXBDSA-N 303.370 -0.100 30 20 DBED C[C@H]1C[C@@H]1C(=O)NC[C@]1(O)CCN(C(=O)CSCC#N)C1 1040574699 WDWHRCICDZVZOQ-COPLHBTASA-N 311.407 -0.021 30 20 DBED C[C@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)CC2(O)CCC2)C1 1040764069 UDFJTJAMJNIIFM-ABAIWWIYSA-N 309.366 -0.469 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)CSC)C1 1041366082 YEEWINDRGDRUSP-JTQLQIEISA-N 302.396 -0.370 30 20 DBED N#Cc1ccc(C(=O)N2CC(O)(CNC(=O)c3ccc[nH]3)C2)[nH]1 1041437865 FFKCGWLZWUMAEP-UHFFFAOYSA-N 313.317 -0.169 30 20 DBED N#Cc1ccc(NC[C@@H]2CN(C(=O)CC(N)=O)CCCO2)cn1 1041488638 WKENFMQQULRZIG-CYBMUJFWSA-N 317.349 -0.142 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)CN(C)C(C)=O)C1 1041575798 HHHGHAXRRSFBDG-UHFFFAOYSA-N 311.382 -0.634 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(O)CN(C(=O)[C@H](F)C(C)C)C1 1042815056 WLYLZMSUIOGREL-TZMCWYRMSA-N 316.373 -0.003 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)C1CN([C@@H]2CCNC2=O)C1 1042960687 RYQXADYEEGPGEI-KGLIPLIRSA-N 304.394 -0.885 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)C[C@H]2CCOC2)C1 1043039610 IGAMBNGTAXBICW-QWHCGFSZSA-N 324.377 -0.859 30 20 DBED C[C@@H]1CN(C(=O)[C@H]2COC(=O)N2)C[C@H]1Nc1cncc(C#N)n1 1043155269 RZEXPYUSYOEOJW-FBIMIBRVSA-N 316.321 -0.285 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)[C@@H]2CO[C@H](C)C2)C1 1043624969 MBMYBTKUQHZIDE-NEPJUHHUSA-N 312.366 -0.697 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(O)(CNC(=O)c2c[nH]nc2C)C1 1044345777 LZAVKLRBWIOGTP-AWEZNQCLSA-N 322.365 -0.652 30 20 DBED C=CCN[C@H]1CCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)[C@@H](C)C1 1044762781 IBAZKUGORDSLPM-QWRGUYRKSA-N 322.365 -0.438 30 20 DBED C=C[C@@H](CC)CC(=O)N1CC(O)(CNC(=O)c2nc[nH]n2)C1 1044788560 CILNPLYYKUZFKM-JTQLQIEISA-N 307.354 -0.290 30 20 DBED CC#CCCCC(=O)NCC1(O)CN(C(=O)[C@H](C)NC(C)=O)C1 1045003298 QDXUNBPUTQOHIB-LBPRGKRZSA-N 323.393 -0.606 30 20 DBED C=C[C@H](CC)CC(=O)NCC1(O)CN(C(=O)c2cnon2)C1 1045069316 SIYOAFGMJWATDP-SNVBAGLBSA-N 308.338 -0.025 30 20 DBED C=CCCCC(=O)N1CC(O)(CNC(=O)[C@]2(C)CCNC2=O)C1 1046643693 IMISKHJNJIHCRV-OAHLLOKOSA-N 323.393 -0.442 30 20 DBED CN(C(=O)[C@@H]1CCCc2nccn21)[C@H]1CN(CC#N)C[C@@H]1O 1047409797 YWGZJHGUSBFUHL-AVGNSLFASA-N 303.366 -0.212 30 20 DBED CN(C(=O)[C@H]1CCCc2nn(C)cc21)[C@H]1CN(CC#N)C[C@@H]1O 1047500697 FXOBJVCWJGWXAI-CQDKDKBSSA-N 317.393 -0.133 30 20 DBED C[C@H](NC(=O)CC(N)=O)[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 1050483231 MNIGRJPPDQKVGW-UWVGGRQHSA-N 317.349 -0.271 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)CN1CC(=O)NC1=O)C2 1050701918 SUCJVHOTPDYIGR-UHFFFAOYSA-N 304.350 -0.904 30 20 DBED CC#CCN1CCOC[C@@H]1CNC(=O)[C@@H]1CCCS1(=O)=O 1051255435 SLMAHAIKIPRAHH-STQMWFEESA-N 314.407 -0.596 30 20 DBED C#CCCN1CCN([C@H]2CCN(C(=O)[C@H]3CCNC3=O)C2)CC1 1052060194 ZNBAXMOAKBIXFS-GJZGRUSLSA-N 318.421 -0.636 30 20 DBED C#CCN1CC2(C1)CN(C(=O)c1cc(OC)n(C)n1)CCO2 1053336672 HNEMNNBNVSKXMW-UHFFFAOYSA-N 304.350 -0.411 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)[C@]3(C)CNC(=O)C3)CO2)C1 1053879356 OLYZSFXVNNEGPZ-WFASDCNBSA-N 305.378 -0.505 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1COC2(C1)CN(CCCO)C2 1053930852 HPWAQJPVIVWQFF-MJBXVCDLSA-N 310.394 -0.081 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)c3cccnc3C(N)=O)CO2)C1 1054012836 IYGKJDCOVOGBBB-LLVKDONJSA-N 314.345 -0.613 30 20 DBED C=CCCC(=O)N[C@]1(CO)CCCN(C(=O)c2nnn(C)n2)C1 1055825980 UDKJTLUJFAWBSC-CQSZACIVSA-N 322.369 -0.740 30 20 DBED C=C[C@H](CC)CC(=O)N1CCC[C@@](CO)(NC(=O)C(N)=O)C1 1056090319 COLIBYAOOUELQT-IAQYHMDHSA-N 311.382 -0.456 30 20 DBED C[C@H](C#N)C(=O)N[C@]1(CO)CCCN(C(=O)c2cnsn2)C1 1056093576 LAYOYPAMEMNDMS-NOZJJQNGSA-N 323.378 -0.219 30 20 DBED C[C@H](C#N)C(=O)N[C@]1(CO)CCCN(C(=O)c2cncnc2)C1 1056094072 PQTXYXNDPZDVSI-IAQYHMDHSA-N 317.349 -0.280 30 20 DBED C=CCO[C@H](C)C(=O)NCCN(CCO)C(=O)Cn1cccn1 1056968894 SYRCMCAXZARDTH-CYBMUJFWSA-N 324.381 -0.589 30 20 DBED CCn1nncc1C(=O)N(CCO)CCNC(=O)C#CC(C)C 1057506704 SJPBYPRKKDSLJQ-UHFFFAOYSA-N 321.381 -0.492 30 20 DBED C#CCO[C@H](C)C(=O)N(CCO)CCNC(=O)c1c[nH]cc1C 1057584505 MHEZDBLIFDGJPZ-CYBMUJFWSA-N 321.377 -0.088 30 20 DBED Cn1nnc(C(=O)N[C@H]2CCCN(c3ncccc3C#N)C2)n1 1058219093 KVFRTYOIIPINAJ-NSHDSACASA-N 312.337 -0.124 30 20 DBED N#Cc1cnc(N2CC[C@H](NC(=O)[C@@H]3CNC(=O)N3)C2)c(F)c1 1058531838 ZPWPLHGGRVQQTC-ONGXEEELSA-N 318.312 -0.531 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)c1c[nH]nc1C1CC1 1058692541 DGYUCYKRUCNFFM-SNVBAGLBSA-N 319.365 -0.003 30 20 DBED N#Cc1nccc(N2CCC[C@H]2CNC(=O)[C@H]2COC(=O)N2)n1 1061353789 QRSPWIHSDABHBG-VHSXEESVSA-N 316.321 -0.458 30 20 DBED C#CCOCCC(=O)N1CCOC[C@@H]1CNC(=O)[C@H]1CCOC1 1061385775 BILPYWPLMAFIHR-KBPBESRZSA-N 324.377 -0.594 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H]1COCCN1C(=O)C1CCC1 1061516136 SKGGHKKAKLDAOM-ZDUSSCGKSA-N 321.377 -0.730 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H]1COCCN1C(=O)[C@@H](C)CC 1061516790 ZZCLSWKSHUSXAV-STQMWFEESA-N 323.393 -0.484 30 20 DBED C=CCCC(=O)N1CCOC[C@H]1CNC(=O)CCn1ccnn1 1061532185 RTVPHZRGWZMEGY-CYBMUJFWSA-N 321.381 -0.022 30 20 DBED C=CCCC(=O)N1CCO[C@@H](CNC(=O)C(C)(C)C(N)=O)C1 1064958988 DXRKQQJAXCXPQU-NSHDSACASA-N 311.382 -0.192 30 20 DBED C[C@]1(NC(=O)[C@@H]2COCCO2)CCN(c2ccnc(C#N)n2)C1 1065211710 YMGIOPMDNVLITA-NHYWBVRUSA-N 317.349 -0.151 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)CCn2ccnc2)C1 1065559801 GTGZTQLYIOLRDN-OLZOCXBDSA-N 319.365 -0.224 30 20 DBED CN(C(=O)c1cc[nH]n1)[C@H]1CN(c2ccncc2C#N)C[C@@H]1O 1065568907 QUCHSGUDLYBHGV-KBPBESRZSA-N 312.333 -0.002 30 20 DBED N#Cc1cnc(N2CCOC[C@@H]2CNC(=O)c2cnco2)cn1 1066509887 MRHIUYCPYQRNCH-NSHDSACASA-N 314.305 -0.029 30 20 DBED C=CCn1cc(C(=O)N(C)CCCN(C)C(=O)CC(N)=O)nn1 1067052695 AQPJARVZZMRGIN-UHFFFAOYSA-N 322.369 -0.740 30 20 DBED C=CCOCC(=O)N1CCOC2(C1)CN(C(=O)c1cn[nH]c1)C2 1068355304 LEQLUOCGTORQRM-UHFFFAOYSA-N 320.349 -0.334 30 20 DBED C=C(C)CN1C[C@H](n2ccnn2)[C@H](NC(=O)Cn2nccn2)C1 1069939132 ZHOWGIJYESPQIE-OLZOCXBDSA-N 316.369 -0.513 30 20 DBED C=CCCC(=O)NC1(CNC(=O)c2nnn(C)n2)CCOCC1 1070033515 VFCBLENSCJECGX-UHFFFAOYSA-N 322.369 -0.429 30 20 DBED C=C(C)CN1C[C@H](n2ccnn2)[C@H](NC(=O)Cn2cncn2)C1 1070090262 YRBNOEIWOQQLAN-OLZOCXBDSA-N 316.369 -0.513 30 20 DBED Cn1cncc1[C@@H]1CN(C(=O)c2cncnc2)C[C@H]1NCC#N 1070642048 KTXUQNIQUSCJOR-CHWSQXEVSA-N 311.349 -0.069 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCC[C@@H](NC(=O)CNC(C)=O)C1 1070666034 CZMCABBVCCNBHB-IUODEOHRSA-N 311.382 -0.443 30 20 DBED CC#CCN1CCNC(=O)CCN(C(=O)c2cncnc2)CC1 1070958538 FRLMSMUYIHHALW-UHFFFAOYSA-N 315.377 -0.236 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)[C@@H]2C[C@@H](C)CO2)CC1 1070980925 AWYUQSZZCIAQHS-KGLIPLIRSA-N 307.394 -0.305 30 20 DBED CC(C)C#CC(=O)N[C@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1C 1071556741 LTOPGBIDYNMAAE-RYUDHWBXSA-N 304.354 -0.704 30 20 DBED C#CCCCC(=O)N1C[C@@H](NC(=O)Cn2cnnc2O)[C@H](C)C1 1071997702 AACHEWSQNZSNPL-VXGBXAGGSA-N 319.365 -0.250 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)c3cnnc(O)c3)C[C@@H]21 1074270046 AOPCXUABYOWTDN-QWHCGFSZSA-N 302.334 -0.269 30 20 DBED CC[C@H](C(=O)N1CCC(O)(CNC(=O)[C@H](C)C#N)CC1)N(C)C 1074630470 OILZPTRFSIYQKV-CHWSQXEVSA-N 324.425 -0.044 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)[C@H]1CCCO1 1075520673 NQBDFCIHYSBYCO-NWDGAFQWSA-N 309.366 -0.684 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H](C)CCNC(=O)CN(C)C(C)=O 1075681773 BIOHUQXRYBRJMA-NWDGAFQWSA-N 311.382 -0.486 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)c1ccns1 1076218075 VGRSJEIFVYOPMR-JTQLQIEISA-N 322.390 -0.093 30 20 DBED C=CCCOCC(=O)NCC[C@H](C)NC(=O)[C@H](C)NC(N)=O 1077062812 LRSXQOIDYQUAEK-QWRGUYRKSA-N 314.386 -0.353 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)Cc1cnoc1 1077946166 OQWBUBHBGHSDFK-NSHDSACASA-N 320.349 -0.632 30 20 DBED C#CCCCC(=O)N[C@@H](C)CCNC(=O)CCn1cnnn1 1078022745 DYQMFHLPIDGXPI-LBPRGKRZSA-N 306.370 -0.122 30 20 DBED C[C@H](C#N)C(=O)N1CCCO[C@H](CNCc2nc(O)n[nH]2)C1 1078358403 PJZKMTJGSQTJNR-NXEZZACHSA-N 308.342 -0.623 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C[C@@H]1O 1081333086 ONOVDGFTWQGFGX-DKBOKBLXSA-N 308.378 -0.220 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H](CNC(=O)/C(C)=C/C)[C@@H](O)C1 1081391185 JGRNTXUBLPYTTG-BYDLAGSTSA-N 321.377 -0.972 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H]1CN(C(=O)C=C(C)C)C[C@@H]1O 1081417008 NBGIMRNMTNVNKM-OLZOCXBDSA-N 321.377 -0.972 30 20 DBED COCCC(=O)N1C[C@H](CNC(=O)c2c[nH]c(C#N)c2)[C@@H](O)C1 1081419251 JVLNCSLSOXHINI-AAEUAGOBSA-N 320.349 -0.528 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(C(=O)c2n[nH]cc2F)C[C@@H]1O 1081471472 NXZFNBULIXQMSK-JQWIXIFHSA-N 320.324 -0.489 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)CN1C(=O)CC(C)(C)C1=O 1081668258 JJZSBSZZEMHDNJ-GHMZBOCLSA-N 322.365 -0.890 30 20 DBED C=CCCC(=O)N1C[C@H](CNC(=O)c2c[nH]c(=O)cn2)[C@@H](O)C1 1081698694 VFCPWPKWQOEXEA-JQWIXIFHSA-N 320.349 -0.715 30 20 DBED Cn1cccc(C(=O)N2CCO[C@@H]3CN(CC#N)C[C@@H]32)c1=O 1083251894 NCNIZASGYCDFSY-QWHCGFSZSA-N 302.334 -0.566 30 20 DBED C=CCN1CC[C@@H]2CN(C(=O)CN3C(=O)CNC3=O)C[C@@H]2C1 1088193744 SSIHAKWGLVWXLP-NEPJUHHUSA-N 306.366 -0.496 30 20 DBED N#CCN1CC[C@@H](OCC2CCN(C(=O)CC(N)=O)CC2)C1 1088230828 ADBFXVSELWRTGO-CYBMUJFWSA-N 308.382 -0.285 30 20 DBED C[C@H]1CC[C@H](NC(=O)CC(N)=O)CN1c1ccnc(C#N)n1 1089127212 ONYFYDWUGVYWSA-UWVGGRQHSA-N 302.338 -0.303 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2ccnc3[nH]nnc23)[C@@H](O)C1 1090418939 BCDYFXHCRSWHSQ-MNOVXSKESA-N 300.322 -0.849 30 20 DBED C=CCN1CC[C@H](NC(=O)C2CCS(=O)(=O)CC2)[C@@H](O)C1 1090610551 SIHDLUQEVZMTQL-STQMWFEESA-N 316.423 -0.451 30 20 DBED CCOCCC(=O)N[C@@H]1CN(c2nc(C)cc(C#N)n2)C[C@@H]1O 1091088403 DZBHYQLEYSCTAB-OLZOCXBDSA-N 319.365 -0.251 30 20 DBED COCC(=O)N(C)CCOCCN(C)c1cncc(C#N)n1 1091873135 BDSNPVIRHBISMC-UHFFFAOYSA-N 307.354 -0.094 30 20 DBED CNC(=O)CC(=O)N[C@H]1CCN(c2ccc(C#N)nc2)C[C@H]1O 1092147982 LRRPZHMKQPITCI-QWHCGFSZSA-N 317.349 -0.855 30 20 DBED C=CCN1CC2(C[C@@H](NC(=O)[C@@H]3CCNC3=O)c3nccn32)C1 1092384807 LZUNZXOVWOAGBF-VXGBXAGGSA-N 315.377 -0.223 30 20 DBED C#CCCN1C[C@@H](C)[C@H](CNC(=O)C2CC(=O)NC(=O)C2)C1 1093048727 IQHAXUJOJCNSCH-DGCLKSJQSA-N 305.378 -0.253 30 20 DBED COCCOCC(=O)N1CCN(c2nccnc2C#N)CC1 1093151721 YVSVTXKWOAFEQX-UHFFFAOYSA-N 305.338 -0.340 30 20 DBED CC(=O)N[C@H](C)C(=O)N[C@H]1[C@@H]2CN(c3ccnc(C#N)n3)C[C@@H]21 1093206910 ARBRSHFNYFVASC-GJTWSCIVSA-N 314.349 -0.576 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1[C@@H]2CN(c3cncc(C#N)n3)C[C@@H]21 1093266947 SKSYGGHVEFTVCI-ATCWAGBWSA-N 324.344 -0.961 30 20 DBED N#Cc1ccc(N2C[C@H]3[C@H](NC(=O)CCNC(N)=O)[C@H]3C2)cn1 1093267444 JBTSHQDINCRTKH-IMRBUKKESA-N 314.349 -0.438 30 20 DBED N#CCN1CC(OC2CCN(C(=O)Cn3cnnc3O)CC2)C1 1093529302 SHEWFAWQZJMGLW-UHFFFAOYSA-N 320.353 -0.801 30 20 DBED N#Cc1nccnc1NCCNC(=O)c1ccc2nnc(O)n2c1 1093727847 WHQGHVXDIJAVLX-UHFFFAOYSA-N 324.304 -0.062 30 20 DBED CN1CC[C@@H](CC(=O)NCCNc2nccnc2C#N)C1=O 1093960837 NLYHHIKTZQZFLV-JTQLQIEISA-N 302.338 -0.255 30 20 DBED CCN1CCOC[C@H]1C(=O)NCCNc1ccc(C#N)nn1 1093977245 KCZMOYKODCOEBI-LBPRGKRZSA-N 304.354 -0.403 30 20 DBED CNC(=O)NCCC(=O)NCCCN=c1cc(C)[nH]cc1C#N 1094392900 DKUGISIFOUZPBV-UHFFFAOYSA-N 318.381 -0.079 30 20 DBED Cc1ncc(C(=O)N2CCN(CC#N)[C@H]3CS(=O)(=O)C[C@H]32)[nH]1 1094614817 PVPXNYYBZZKGSQ-NWDGAFQWSA-N 323.378 -0.835 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)CC3CCOCC3)CC2=O)C1 1094713863 KFQVGLXSKPTQNJ-CQSZACIVSA-N 319.405 -0.162 30 20 DBED CN1CCCC[C@H]1C(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1 1094750629 HYMGXRRMOFRVOX-JSGCOSHPSA-N 319.409 -0.604 30 20 DBED CCN1C[C@@H](C(=O)NCCCN=c2cc[nH]c(C#N)n2)CC1=O 1094847093 NIXSIRHVPRGSHS-NSHDSACASA-N 316.365 -0.443 30 20 DBED N#Cc1cccnc1NCCCNC(=O)C[C@@H]1NC(=O)NC1=O 1094869234 YFNLXGGIBLIHGV-JTQLQIEISA-N 316.321 -0.530 30 20 DBED C[C@H](CC(N)=O)C(=O)N1CC[C@@H](N(C)c2cnc(C#N)cn2)C1 1095151264 SYNLHMMDHYXTOV-ZYHUDNBSSA-N 316.365 -0.103 30 20 DBED CNC(=O)CC(=O)NCCCN(c1cncc(C#N)n1)C1CC1 1096026580 IDRSZSOZFOWGPY-UHFFFAOYSA-N 316.365 -0.041 30 20 DBED CC(=O)N[C@H](C)C(=O)N[C@H]1CCCN(c2nccnc2C#N)C1 1096135414 XQORIHCQOKRFOU-PWSUYJOCSA-N 316.365 -0.042 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](Nc1nccn2nnnc12)C1CC1 1096597564 DDXNSBANRRHDMC-PSASIEDQSA-N 300.326 -0.014 30 20 DBED COCC(=O)N[C@H](C)C(=O)NC[C@@H](C)Nc1cnc(C#N)cn1 1098341732 FSIBRCCIRJUPPL-NXEZZACHSA-N 320.353 -0.584 30 20 DBED C=CCNC(=O)CN1CC(C)(C)CC[C@H]1CNC(=O)CC(N)=O 1098993069 LFEXOCWLSHQIAS-LBPRGKRZSA-N 324.425 -0.229 30 20 DBED CN1CCO[C@@H](C(=O)NCCN(C)c2ccncc2C#N)C1 1099997019 VZCJECXSSNHDRJ-CQSZACIVSA-N 303.366 -0.164 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)c2nccs2)[C@@H](O)C1 1100044363 VINIMPJDBCRSFK-MNOVXSKESA-N 324.406 -0.390 30 20 DBED C#CCN1CC[C@@H](NC(=O)CNC(=O)C2CCCCC2)[C@H](O)C1 1100096185 AXKZRTNRUSNDQY-HUUCEWRRSA-N 321.421 -0.133 30 20 DBED CC(C)(C)OCC(=O)NCC1CC(NCC(=O)NCC#N)C1 1100261871 UTQXQKWCKMFABH-UHFFFAOYSA-N 310.398 -0.074 30 20 DBED CCN(CCNC(=O)[C@H]1CC[C@H]1C(N)=O)c1ccc(C#N)nn1 1100694564 DDURNCAPLHCXMI-NEPJUHHUSA-N 316.365 -0.198 30 20 DBED CCN(CCNC(=O)[C@@H]1CC(=O)N(C)C1)c1cncc(C#N)n1 1100749397 WXLWBBBTYNVNAM-LLVKDONJSA-N 316.365 -0.231 30 20 DBED CC(=O)NCC(=O)NC[C@H]1CCN(c2nc(C)cc(C#N)n2)C1 1100925870 HXUDKQKPPQESOG-GFCCVEGCSA-N 316.365 -0.265 30 20 DBED N#Cc1nccc(N2CC[C@H](CNC(=O)Cn3nccn3)C2)n1 1101018829 AZSGQVJHJITGEN-LLVKDONJSA-N 312.337 -0.418 30 20 DBED C[C@@]12CN(CC#N)C[C@@H]1CN(C(=O)C(=O)NCC(F)(F)F)C2 1101410591 FOVMNKQHEWFGIN-SKDRFNHKSA-N 318.299 -0.031 30 20 DBED CN(CCNc1cncc(C#N)n1)C(=O)[C@H]1CCC(=O)N1C 1101914604 LXJQZMLYCMCSRI-LLVKDONJSA-N 302.338 -0.161 30 20 DBED CN(CCNc1ccc(C#N)cn1)C(=O)[C@@H]1CC(=O)NC(=O)N1 1101989600 GYPPZHXTJSSEMW-JTQLQIEISA-N 316.321 -0.578 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)c1cnn2ccncc12 1102012288 TZJQTCOAVRZDJS-UHFFFAOYSA-N 322.332 -0.003 30 20 DBED C[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1CCNC(=O)C#CC1CC1 1102963094 LDZBQBXKBFHETM-DGCLKSJQSA-N 320.393 -0.331 30 20 DBED C[C@@H](CNc1cnc(C#N)cn1)N(C)C(=O)c1nnn(C)n1 1104764309 PXJCGRLOIJZFSQ-QMMMGPOBSA-N 301.314 -0.556 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)[C@@H]1[C@H]2COC[C@H]21 1104771510 OAZXOFGXGBLZAK-PUHVVEEASA-N 301.350 -0.079 30 20 DBED CN(CCN(C)c1cnc(C#N)cn1)C(=O)[C@H]1COCCO1 1105339775 UVCYNKYMNKFJPS-GFCCVEGCSA-N 305.338 -0.342 30 20 DBED CN(CCN(C)c1cnc(C#N)cn1)C(=O)CCc1nc[nH]n1 1105376994 MIJZPDNUYXSKDO-UHFFFAOYSA-N 314.353 -0.006 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H](O)CNC(=O)[C@@H]1CCCOC1 1105742720 SYOCPAAOMOQXQE-YPMHNXCESA-N 304.350 -0.309 30 20 DBED CCc1nc(C#N)cc(NC[C@H](O)CNC(=O)[C@H](C)C#N)n1 1105773704 LWYIBAJQOROGAQ-KOLCDFICSA-N 302.338 -0.041 30 20 DBED N#Cc1nc(=NC[C@H](O)CNC(=O)CC[C@@H]2CCCO2)cc[nH]1 1105778077 LOZJHQZZSISCLS-RYUDHWBXSA-N 319.365 -0.382 30 20 DBED CN1CC[C@@H](CC(=O)NC[C@@H](O)CNc2nccnc2C#N)C1 1105914330 UIOQFLSUASQCRA-NWDGAFQWSA-N 318.381 -0.421 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](C)[C@H](CN[C@H](C)C(=O)NC(N)=O)C1 1106104655 BTENQCDXFDSWNZ-JHJVBQTASA-N 322.409 -0.087 30 20 DBED C[C@@H](CCN=c1cc[nH]cc1C#N)NC(=O)Cn1cnnn1 1106195545 ZYJIREFTMLLRTI-JTQLQIEISA-N 300.326 -0.631 30 20 DBED C[C@@H](CCNc1ccc(C#N)nn1)NC(=O)c1nnn(C)n1 1106524026 XPKGTZDYYOTVBU-QMMMGPOBSA-N 301.314 -0.508 30 20 DBED C[C@@H]1CN(C(=O)c2cnn3c(=O)cc[nH]c23)C[C@H]1CNCC#N 1106739645 XSFMVCXANULQCK-GHMZBOCLSA-N 314.349 -0.156 30 20 DBED Cc1cc(=NC/C=C\CNC(=O)CCNC(N)=O)c(C#N)c[nH]1 1107189797 OUXRBOAPGATJNS-IHWYPQMZSA-N 316.365 -0.174 30 20 DBED CN1C[C@H](C(=O)NC/C=C/CNc2cncc(C#N)n2)CC1=O 1107568887 QZJRGYAAJMFFQN-KXMPLOMGSA-N 314.349 -0.089 30 20 DBED C=C(C)CN1CCO[C@](C)(CNC(=O)Cn2cnnc2O)C1 1107884863 NFCNJHZRBUGBAB-CQSZACIVSA-N 309.370 -0.233 30 20 DBED C#CCCN1CCO[C@](C)(CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 1108025005 SICGKULXJVTSFA-BFYDXBDKSA-N 323.437 -0.064 30 20 DBED C=C(C)CN1CCO[C@](C)(CNC(=O)Cn2ncn(C)c2=O)C1 1108038154 OCQOMEHRTXLRMF-OAHLLOKOSA-N 323.397 -0.635 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)CN2CCCCC2=O)C1 1108048409 TUYDPLVFJCTMIL-MRXNPFEDSA-N 307.394 -0.161 30 20 DBED C=CCN1CCO[C@](C)(CNC(=O)[C@@H](C)NS(C)(=O)=O)C1 1108241480 BTBMQBNFSGQZMS-DGCLKSJQSA-N 319.427 -0.683 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)C(=O)N2CC[C@H](C)C2)C1 1108330615 CWQRJTSHLZJIKH-XJKSGUPXSA-N 307.394 -0.305 30 20 DBED C[C@@H](CN(C)c1nccnc1C#N)NC(=O)[C@H]1CCC(=O)N1 1108863364 GWZJBXCBVHOXJP-VHSXEESVSA-N 302.338 -0.432 30 20 DBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H]1CCCCO1 1110445313 NTVQTJYPEVWAIZ-MQYQWHSLSA-N 320.393 -0.083 30 20 DBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1ncn(C)n1 1110519501 XUXGBUVVQYIOMK-UTUOFQBUSA-N 318.381 -0.548 30 20 DBED CO[C@@H](C)C(=O)N[C@]1(CO)CCCN(c2ccnc(C#N)n2)C1 1111336321 MXGVLQHNMKDILD-XHDPSFHLSA-N 319.365 -0.169 30 20 DBED CNC(=O)NCC(=O)NC1CC(CNc2nccnc2C#N)C1 1112874370 YPXPIFZXNZNHQF-UHFFFAOYSA-N 317.353 -0.416 30 20 DBED C[C@H](N=c1cc[nH]c(C#N)n1)[C@@H](C)NC(=O)c1cnc(O)n1C 1113255625 KIVVMASFIAZBRI-DTWKUNHWSA-N 315.337 -0.172 30 20 DBED C[C@H](C[C@H]1CCCO1)C(=O)N1CCN(CC(=O)NCC#N)CC1 1113703549 BSDMBMMILUJPBD-ZIAGYGMSSA-N 322.409 -0.024 30 20 DBED C#CCCCCC(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1114159912 NUIFWFJWPWTDFJ-VIKVFOODSA-N 302.378 -0.134 30 20 DBED C=C[C@](C)(O)CC(=O)NC1[C@@H]2CN(Cc3nncn3C)C[C@@H]12 1114194055 KPTKZWAOJQHYJB-HFAKWTLXSA-N 305.382 -0.311 30 20 DBED C=C(C)CN1C[C@H]2[C@H](NC(=O)CCS(=O)(=O)NC)[C@H]2C1 1114270489 GECRXONHZGOREV-PJXYFTJBSA-N 301.412 -0.452 30 20 DBED CCc1oncc1C(=O)NC1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]12 1114899303 PPWIRISEEGDPBA-GHMZBOCLSA-N 317.349 -0.463 30 20 DBED N#Cc1nccnc1NCCCOCCNC(=O)CC(N)=O 1115395983 XCFWPCLKVJBVSR-UHFFFAOYSA-N 306.326 -0.842 30 20 DBED C[C@@H](CN(C)C(=O)[C@H]1CN(C)CCO1)Nc1cncc(C#N)n1 1115664170 KBWAUNOEMXEICP-WCQYABFASA-N 318.381 -0.062 30 20 DBED C[C@H](O)C[C@H](C)NC(=O)NCCN/C(O)=C1/N=CC=CC1=O 1116543587 YMALOLFKUIQTQB-QQAMUFINSA-N 310.354 -0.029 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CCC[C@H](CO)C2)nn1 1118180645 RCMTUABEWHHYNO-NSHDSACASA-N 307.354 -0.689 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CCNC[C@H]2C(C)C)nn1 1118928933 RAIKKZIQPXKNRT-ZDUSSCGKSA-N 320.397 -0.463 30 20 DBED C#CCN(C(=O)C(=O)N1CC[C@@H](N2CCOC2=O)C1)C(C)C 1120397299 ZDXAQUIGQJEVHV-GFCCVEGCSA-N 307.350 -0.090 30 20 DBED CCCNC(=O)[C@@H](C)NC(=O)CCN/C(O)=C1/N=CC=CC1=O 1120716121 IZFDBCIFNYYWJG-QMLLPTRZSA-N 322.365 -0.066 30 20 DBED C[C@@H](C#N)C(=O)NC1CC2(CC(NCC(=O)NC(N)=O)C2)C1 1120840982 IVRBAQWLODOFTB-RLLVHKMMSA-N 307.354 -0.642 30 20 DBED Cc1cnn(CC(=O)NC[C@@H](CO)Nc2cnc(C#N)cn2)c1 1121156275 ATLSRAZLOQFYGP-LBPRGKRZSA-N 315.337 -0.558 30 20 DBED Cc1cc(=N[C@@H](CO)CNC(=O)c2cncnc2)c(C#N)c[nH]1 1121339910 OMUPXJUINLVRQC-CYBMUJFWSA-N 312.333 -0.324 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H](CO)CNC(=O)[C@H]1CCCCO1 1121455485 QHUFUSYNIDSWRY-TZMCWYRMSA-N 304.350 -0.167 30 20 DBED COCCC[C@H](C)C(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1 1121985388 RKFBYALNHOOCOM-RYUDHWBXSA-N 321.381 -0.278 30 20 DBED C#CCCNC1CC2(C1)CC(NC(=O)CS(=O)(=O)NC)C2 1122202959 OJAPFHMPCQHZAL-UHFFFAOYSA-N 313.423 -0.424 30 20 DBED C#CCSCC(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1 1122516872 WDBDYDOVSUEGMR-JTQLQIEISA-N 314.388 -0.681 30 20 DBED CN(CCNCCNC(=O)c1cc(C#N)c[nH]1)S(C)(=O)=O 1125390864 GZLSXTRDCQVBDH-UHFFFAOYSA-N 313.383 -0.903 30 20 DBED C#CCCCC(=O)NCCNC[C@H](O)CO[C@H](C)COC 1126339260 ULOGDMYINFQCML-KGLIPLIRSA-N 300.399 -0.092 30 20 DBED C=C(C)CN(CC)C(=O)CNCCNC(=O)c1cnnn1C 1126524790 UULFTYHKEBWHFM-UHFFFAOYSA-N 308.386 -0.441 30 20 DBED C#CCO[C@H](C)C(=O)NCCN[C@@H](C)C(=O)NC(=O)NCC=C 1127052514 ZJWVRQVHQFUMNQ-NWDGAFQWSA-N 324.381 -0.869 30 20 DBED COCCC(=O)N[C@H]1CCc2nnc(CNCC#N)n2CC1 1127918442 NNBKQNHIQXCXML-NSHDSACASA-N 306.370 -0.251 30 20 DBED C#CCCN1CCn2ncc(CNC(=O)Cn3cncn3)c2C1 1128575331 KLBLIICSFBQZTR-UHFFFAOYSA-N 313.365 -0.370 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)c1ccc2nn[nH]c2n1 1128885322 FHXQYXJEMRJJTE-VIFPVBQESA-N 317.353 -0.637 30 20 DBED CO[C@H]1C[C@@H](c2n[nH]c(CNC(=O)[C@H](C)C#N)n2)N(CCO)C1 1130258498 SNCVAHFHTGINEC-VWYCJHECSA-N 322.369 -0.665 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)Cn1nc(C)cc1C 1131064741 UIAUUJGPZQTUEC-CYBMUJFWSA-N 307.398 -0.104 30 20 DBED C=CCCC(=O)N1CCC(=O)NCCN([C@H]2CCNC2=O)CC1 1131337156 ZBCYOBKDPXJEMY-ZDUSSCGKSA-N 322.409 -0.508 30 20 DBED C=C[C@](C)(CCOC)C(=O)NCCNCc1nc(=O)n(C)[nH]1 1131867153 KRWFYQDXXOOYOJ-CQSZACIVSA-N 311.386 -0.457 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)C[C@@H]1CCC(=O)N1C 1132261806 RWUXTAHHFQDTQQ-RYUDHWBXSA-N 310.398 -0.606 30 20 DBED CC#CCCCC(=O)NCCNCCN1CCCS1(=O)=O 1132591306 LPYDDCJZCRMQAE-UHFFFAOYSA-N 315.439 -0.079 30 20 DBED CNC(=O)NCC(=O)N1CC[C@H](C)[C@@H](CNCC#CCOC)C1 1132859561 FMGNTEUIQLJLBB-KBPBESRZSA-N 324.425 -0.361 30 20 DBED C#Cc1cncc(C(=O)NCCN[C@H](C)C(=O)NC(=O)NC)c1 1133597337 OBUCFSGITGRJBB-SNVBAGLBSA-N 317.349 -0.774 30 20 DBED C[C@@H](C[C@H](C)NC(=O)c1cnccn1)NCC(=O)NCC#N 1133600181 RLROKUGHPFXGJH-QWRGUYRKSA-N 304.354 -0.397 30 20 DBED C=C(C)CN(CC)C(=O)[C@@H](C)NCCNC(=O)[C@H]1C[C@H]1C(N)=O 1133946806 IFMZTGJWHIRGMD-UPJWGTAASA-N 324.425 -0.373 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)[C@@H](C)C(C)(F)F 1133968339 VMVGLFNGFIZOBK-SECBINFHSA-N 320.340 -0.005 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)c1cnc(O)cc1OC 1134024930 JNMDRUMBURWSLH-JTQLQIEISA-N 322.365 -0.194 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCNCCN1C(=O)CNC1=O 1135145497 LIAHEQBBEPOLMT-AAEUAGOBSA-N 324.381 -0.775 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)c1cnc(C)n1C 1135282281 OLVUFTHOQJABTE-NWDGAFQWSA-N 319.409 -0.036 30 20 DBED C[C@@H](C[C@H](C)NC(=O)CCc1cn[nH]c1)NCC(=O)NCC#N 1135652421 ZZHQDSQWESKITO-RYUDHWBXSA-N 320.397 -0.145 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)[C@H](C)Cc1cnn(C)c1 1136012006 ISKCKYNSCFOPQW-OLZOCXBDSA-N 321.425 -0.005 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)CCCn1cncn1 1146802346 XUZXQIYVULWLRR-LBPRGKRZSA-N 308.386 -0.545 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)CSCC#N)C2 1147031291 MXRABHVAUVZHFY-UHFFFAOYSA-N 320.418 -0.473 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN([C@H]2CCNC2=O)CCCO1 1149674559 YFHVJDOZAARADS-KGLIPLIRSA-N 307.394 -0.259 30 20 DBED CCN(CC#CCOC)[C@H](C)CNC(=O)C1CS(=O)(=O)C1 1153556295 YLFKYDNSAQOWRJ-GFCCVEGCSA-N 316.423 -0.493 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)C1CC(OC)C1 1153932798 CPLZBQWLOXHYPK-PNESKVBLSA-N 310.398 -0.122 30 20 DBED C=C(C)CN(CC)C(=O)CNCCCNC(=O)CNC(C)=O 1154204101 HMISVSMRVFTSEP-UHFFFAOYSA-N 312.414 -0.357 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)c1nccnc1N 1155951887 ZPGRMBZZOYGHPV-SNVBAGLBSA-N 306.370 -0.541 30 20 DBED CC(C)(C)C#CC(=O)NCCCNCCNS(C)(=O)=O 1157727212 ISIHFBSPLFQENR-UHFFFAOYSA-N 303.428 -0.319 30 20 DBED CCN(CCC#N)C(=O)CNCCCNC(=O)[C@@]12COC[C@@H]1C2 1158449820 JMLTZQQAYXYLSG-BBRMVZONSA-N 322.409 -0.119 30 20 DBED COCC#CCNCCCNC(=O)c1cn2c(n1)COCC2 1160969790 SMWPYPCARYEWJN-UHFFFAOYSA-N 306.366 -0.227 30 20 DBED CCc1nnc(C)cc1C(=O)NCCCNCC(=O)NCC#N 1161272683 PLKYXYFAFCIYQW-UHFFFAOYSA-N 318.381 -0.303 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)c1cc(OC)n(C)n1 1162228669 LCAQDLMYGSDVBJ-NSHDSACASA-N 321.381 -0.724 30 20 DBED C=CCNC(=O)CNCC1(CCNC(=O)CNC(C)=O)CC1 1163196047 DBXUQKMWRMGOGD-UHFFFAOYSA-N 310.398 -0.699 30 20 DBED COCC#CCNCC1(CCNC(=O)[C@@H]2CN(C)C(=O)N2)CC1 1166573831 DOHMSDDGQOZLRZ-ZDUSSCGKSA-N 322.409 -0.464 30 20 DBED C#CCCNCC1(CCNC(=O)Cn2c(O)nnc2O)CC1 1167893825 BKKZUXMVZCRMIF-UHFFFAOYSA-N 307.354 -0.411 30 20 DBED CCN(CCC#N)C(=O)CNCCCNC(=O)c1ccncn1 1168804823 NKFCCGCNMGBOKX-UHFFFAOYSA-N 318.381 -0.052 30 20 DBED C#CCNC(=O)CNCCCC[C@@H](C)NC(=O)c1cn(C)nn1 1170577613 NJNPUYMFXOSSTQ-GFCCVEGCSA-N 320.397 -0.557 30 20 DBED C#CCNCCCC[C@@H](C)NC(=O)c1cn(CC(N)=O)nn1 1176753033 CLZQRBUGXNKSNB-LLVKDONJSA-N 306.370 -0.725 30 20 DBED C=CCNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)CC2CC2)C1 1180627696 OFGNMILVJKEDIK-GFCCVEGCSA-N 308.382 -0.011 30 20 DBED CCOCCNC(=O)CN[C@@H]1CCN(C(=O)C#CC2CC2)C1 1182388172 DQWRZBYPFKJUKB-CQSZACIVSA-N 307.394 -0.257 30 20 DBED C#CCNC(=O)CNC[C@H]1CCN(C(=O)CCOC)C[C@H]1C 1183679122 QIXYXLUUKMRELY-ZIAGYGMSSA-N 309.410 -0.154 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)Cn2nc(C)cc2C)C1 1184086321 XAUXEZAYXBDYNT-CQSZACIVSA-N 319.409 -0.007 30 20 DBED C=CCOCCN[C@@H]1CCN(C(=O)Cn2nc(C)n(C)c2=O)C1 1187522794 SFWJDPBLAVLUCE-CYBMUJFWSA-N 323.397 -0.717 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@H]2CN(CC(=O)N(C)C)C[C@H]21 1187882840 XLNABEVRWKKSNC-HZSPNIEDSA-N 307.394 -0.354 30 20 DBED C#CCN1CCC(C(=O)N2CC[C@@H](N[C@H](C)C(=O)NC)C2)CC1 1188091756 NUWCPAWIVJSBSA-UKRRQHHQSA-N 320.437 -0.343 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2[nH]c(O)nc2C)C1 1190807762 AQKVYOGIZIWCPA-NSHDSACASA-N 321.381 -0.128 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)Cc2ccoc2)C1 1192403741 BUVVPIBYZUVXTI-CHWSQXEVSA-N 307.350 -0.714 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)CN(C)C(=O)COC)C1 1193472746 HFRFNFOHLJWUDM-GHMZBOCLSA-N 319.789 -0.995 30 20 DBED C=CCNC(=O)[C@@H](C)N(C)[C@H]1CCN(C(=O)Cn2cncn2)C1 1193886387 BRPPORFXIVAZPS-OLZOCXBDSA-N 320.397 -0.499 30 20 DBED C[C@H]1OCC[C@]1(C)C(=O)N1CCCN(CC(=O)NCC#N)CC1 1196602600 OJIQUJGWTMBJHQ-CJNGLKHVSA-N 322.409 -0.024 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)c2cccnn2)CC1 1197528020 NXGWMVCDHSHRLS-UHFFFAOYSA-N 301.350 -0.626 30 20 DBED C#CCCNC[C@H]1CN(C(=O)CN2CCCC2=O)CCCO1 1199787950 RDSKMHSNNTYGGI-AWEZNQCLSA-N 307.394 -0.161 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)[C@H]2COCCN2CC)CCCO1 1200860039 RYROJJPCZAAGFJ-HZPDHXFCSA-N 323.437 -0.063 30 20 DBED CC(=O)N1CCC[C@@H](C(=O)N2CCCO[C@@H](CNCC#N)C2)C1 1200913371 YDAUHBUQTDKFQX-CABCVRRESA-N 322.409 -0.024 30 20 DBED C#CCNC(=O)[C@H](C)NC1CCN(C(=O)[C@@H]2[C@H]3COC[C@H]32)CC1 1202076280 WUMBHJVPPMFBNL-SPWCGHHHSA-N 319.405 -0.403 30 20 DBED C=CCCNC1CCN(C(=O)[C@H](CCC(N)=O)NC(C)=O)CC1 1202961171 IBWLOYNRMMYCDA-AWEZNQCLSA-N 324.425 -0.087 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC[C@@H](NCc2cnn(C)n2)C1 1208017844 GJHUVCRJRBVYOH-CHWSQXEVSA-N 305.382 -0.066 30 20 DBED CO[C@@H]1CN(Cc2ncnn2CCF)C[C@H]1NC(=O)[C@@H](C)C#N 1212039295 JECJPCQIMBXASN-QJPTWQEYSA-N 324.360 -0.277 30 20 DBED C=C(C)CCN1C[C@@H](NC(=O)CS(=O)(=O)NC)[C@H](OC)C1 1213874122 FEMVHFSVMKHERM-VXGBXAGGSA-N 319.427 -0.683 30 20 DBED C=CCOCCN[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@H]1C 1215964453 ASXSNBHDHQJEQX-VXGBXAGGSA-N 324.381 -0.823 30 20 DBED Cc1cnc(CN2C[C@H](O)[C@H](NC(=O)CSCC#N)C2)nc1 1219216379 KBAJEVWRHOQNAR-NEPJUHHUSA-N 321.406 -0.297 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)CC(C)(C)C2CC2)C1 1219573127 MOAYUUCNROHDBW-KGLIPLIRSA-N 321.421 -0.277 30 20 DBED Cc1cnc(CN2C[C@H](O)[C@H](NC(=O)C#CC3CC3)C2)cn1 1219594209 GTWGDGAKUJGUCY-CABCVRRESA-N 300.362 -0.140 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)CCc2c(C)ncnc2O)C1 1219939620 JBGDULUPLVVZPI-KGLIPLIRSA-N 318.377 -0.392 30 20 DBED C=CCN1CC[C@H](N2CC[C@H]2CN(C)C(=O)CC(=O)NC)C1=O 1233878983 BTTQRDFOIMIESG-STQMWFEESA-N 322.409 -0.558 30 20 DBED CC(C)(O)C(C)(C)CNC(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1261474209 ZJQWJYSDZJXFER-HNNXBMFYSA-N 311.382 -0.223 30 20 DBED COC(=O)C1CCN(C(=O)Cn2ccc(C=NO)nc2=O)CC1 1318606241 SMLCTKMVRIGVKV-UHFFFAOYSA-N 322.321 -0.537 30 20 DBED Cc1cc(NC(=O)C(=O)NCCN2CCC2)n(CCC#N)n1 1319433216 HVEKQFDXHTYRKA-UHFFFAOYSA-N 304.354 -0.134 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1CCC2(CC1)NC(=O)NC2=O 1319644947 AVXGQOMRAPKFFZ-VIFPVBQESA-N 323.353 -0.939 30 20 DBED C=C[C@H](COC)NC(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 1320294104 JIISUIMAQZCDHD-GHMZBOCLSA-N 305.400 -0.089 30 20 DBED C=CCN(C(=O)C(=O)NCC(F)F)[C@@H]1CCS(=O)(=O)C1 1320378946 LXGKTQXVBKIDHK-MRVPVSSYSA-N 310.322 -0.431 30 20 DBED C=C[C@H](COC)NS(=O)(=O)CCNS(=O)(=O)CC 1320584468 SRDDAYZNTJXZIE-SECBINFHSA-N 300.402 -0.954 30 20 DBED CS(=O)(=O)c1ccc(F)c(C(=O)NCC(=O)NCC#N)c1 1322789061 GOULAKIVOQNZOP-UHFFFAOYSA-N 313.310 -0.401 30 20 DBED C=CCN(C)C(=O)C(=O)NC[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O 1324219702 VXKHLGPKZPMBAF-ZUZCIYMTSA-N 322.365 -0.533 30 20 DBED C=CCCn1cc(C(=O)NCCOCCS(C)(=O)=O)nn1 1326638451 YCQCWPNAXAMIHE-UHFFFAOYSA-N 316.383 -0.355 30 20 DBED CC#CCCNC(=O)C(=O)NC[C@H]1COC2(CCOCC2)O1 1326721002 IXDVRRRKNYQBHO-LBPRGKRZSA-N 310.350 -0.446 30 20 DBED C=C(C)CN(C)C(=O)C(=O)N1CCc2nn(C)c(=O)cc2C1 1328627494 QYZIJFHQGLDBMZ-UHFFFAOYSA-N 304.350 -0.301 30 20 DBED N#CCNC(=O)CNC(=O)C(=O)Nc1ccc2[nH]ncc2c1 1329191013 MZZYCWPGTVQLQY-UHFFFAOYSA-N 300.278 -0.743 30 20 DBED CC#CC[C@H](CO)NC(=O)C(=O)Nc1cc(C)cn(C)c1=O 1329303080 NLUCJYWZLCSTDE-LLVKDONJSA-N 305.334 -0.477 30 20 DBED C=C(C)CN(C)C(=O)C(=O)N1CCN(CC(=O)N(C)C)CC1 1329457727 MDJVWGLSULIVIM-UHFFFAOYSA-N 310.398 -0.747 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)c2cccnc2)CC1 1329855856 QWZCAQIMQNLARU-UHFFFAOYSA-N 308.363 -0.693 30 20 DBED C#CCN1CCC[C@@H](NC(=O)C(=O)Nc2cccn(C)c2=O)C1 1331408476 AEJGCDYPLGBBPQ-GFCCVEGCSA-N 316.361 -0.462 30 20 DBED C=C(C)COCCNC(=O)C(=O)N1CCOC[C@H]1COC 1334922805 NCDQCHJQAOKJDI-GFCCVEGCSA-N 300.355 -0.431 30 20 DBED COC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)CSCC#N 1337496801 VQYRKGAXZXGVHZ-MRVPVSSYSA-N 306.365 -0.958 30 20 DBED Cc1nc2n(n1)CCN(C(=O)C(=O)N1CCC[C@@H](C#N)C1)C2 1338036730 KAXIXIIVDFASHL-NSHDSACASA-N 302.338 -0.309 30 20 DBED C=CCN(CCOC)c1nnc(CNS(=O)(=O)CC)n1C 1341254124 JDVLMPYQTZLHPM-UHFFFAOYSA-N 317.415 -0.107 30 20 DBED C#CCOc1ccccc1CNC(=O)C(=O)N(CCN)CCO 1348573356 IMUVVYLWZLQBKQ-UHFFFAOYSA-N 319.361 -0.906 30 20 DBED N#CCCC[C@H](N)C(=O)N1CCC[C@H](N2CCNCC2=O)C1 1349170445 RWGFLOZIHPWQAK-STQMWFEESA-N 307.398 -0.570 30 20 DBED N#Cc1cc(C(=O)NCCS(N)(=O)=O)cnc1C(F)(F)F 1361942869 UNXDIDJMDOGKJG-UHFFFAOYSA-N 322.268 -0.010 30 20 DBED C[C@@H](C(=O)N1CCC2(CC1)CNC(=O)O2)n1cnc(C#N)n1 1361986099 COQMLOIHFLDJED-VIFPVBQESA-N 304.310 -0.188 30 20 DBED Cc1cc(F)cc(C#N)c1S(=O)(=O)N1C[C@H](O)[C@H](O)C1 1364827484 IZNUHEZBTFTFMY-PHIMTYICSA-N 300.311 -0.268 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)NCc1nc2ncccn2n1 1364880872 LROKEVHEGUYQMF-VIFPVBQESA-N 309.355 -0.450 30 20 DBED COC[C@@]1(CO)CCN(CC(=O)N(CCC#N)CCC#N)C1 1365299943 ZXWYHDBONUKUKG-HNNXBMFYSA-N 308.382 -0.027 30 20 DBED CCc1nc(CNS(=O)(=O)N2CCO[C@@H](C#N)C2)co1 1365707341 WUHGIWGTZXVWHD-JTQLQIEISA-N 300.340 -0.204 30 20 DBED CC(=O)N(C)CC(=O)N1CC[C@H]1CNC(=O)c1cc(C#N)c[nH]1 1378303775 XQZXSQGUMZSKQQ-LBPRGKRZSA-N 317.349 -0.305 30 20 DBED C[C@H](O)[C@H](NC(=O)C1CCCC1)C(=O)N1CCO[C@H](C#N)C1 1411751749 FISIDZCZFNICNB-UHTWSYAYSA-N 309.366 -0.207 30 20 DBED Cc1nn(CCC#N)c(C)c1CCC(=O)NC[C@H](O)C(N)=O 1412090094 IOWVXRYSBWWYDF-LBPRGKRZSA-N 307.354 -0.691 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]1CN(C)C(=O)CN1CCOCC1 1414109951 HKWDHWLEWSSACM-QWHCGFSZSA-N 308.382 -0.462 30 20 DBED N#Cc1cc(C(=O)N2CCS(=O)(=O)[C@@H]3COCC[C@H]32)c[nH]1 1417924466 WTZKIUHMDZYDGO-VXGBXAGGSA-N 309.347 -0.086 30 20 DBED CC(C)[C@@H](O)C(=O)NCCN1CCN(C(=O)[C@@H](C)C#N)CC1 1429786288 JRGIPTDNDOZVEV-QWHCGFSZSA-N 310.398 -0.577 30 20 DBED C[C@@H](CNCc1nc(=O)n(C)[nH]1)N(C)C(=O)c1cc(C#N)c[nH]1 1438649640 XUSSWNKXQPUOBH-VIFPVBQESA-N 317.353 -0.442 30 20 DBED CC1(C)COCCN1C(=O)CCn1cc(C#N)c(O)nc1=O 1467735326 AZECXXGYYYCQQT-UHFFFAOYSA-N 306.322 -0.152 30 20 DBED C=C(Cl)CN1CC(NC(=O)CN(C)S(=O)(=O)N(C)C)C1 1494386684 PZRRTQZCWJOPHR-UHFFFAOYSA-N 324.834 -0.723 30 20 DBED C#CCNC(=O)[C@H](C)N(C)C[C@@H]1CCCN1C(=O)CNC(=O)O 1573311855 ZMUPTBHJLJDNMZ-RYUDHWBXSA-N 324.381 -0.685 30 20 DBED C=CCCN1CC(CCO)(NC(=O)[C@@H](C)OCc2cnn[nH]2)C1 1575096968 DFTQSQHOWKWEQA-GFCCVEGCSA-N 323.397 -0.161 30 20 DBED CC(C)(C)C#CC(=O)NC1CN(CC(=O)NCc2cnn[nH]2)C1 1575247265 SCDCRMLPASHIBJ-UHFFFAOYSA-N 318.381 -0.729 30 20 DBED CN(C[C@@H](O)CN(CC#N)Cc1cnn[nH]1)CC(F)(F)F 1576764577 NGLOGWUMTQQIOW-SNVBAGLBSA-N 306.292 -0.015 30 20 DBED Cn1cc(/C=C/C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[nH]2)cn1 1581767479 XLJAKQAHBVGGHT-NSCUHMNNSA-N 310.281 -0.153 30 20 DBED C#CCN(CC(=O)O)C(=O)C(=O)N1CCc2ccc(C#N)cc21 1588396282 XQRDHAJQGMDONN-UHFFFAOYSA-N 311.297 -0.006 30 20 DBED C#CCNC(=O)c1ccc(N2CCN(C)C[C@H](C(=O)O)C2)nc1 1588485112 CGKHSYHRDGQZRL-ZDUSSCGKSA-N 316.361 -0.103 30 20 DBED N#C[C@@H]1CNCC12CC(C(=O)N1CCCNC[C@@H]1C(=O)O)C2 1601063739 YLBBMHKZWINUCZ-HFXYEQLZSA-N 306.366 -0.599 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O 1602755603 YQTLRFVRDYITHI-ATZCPNFKSA-N 313.354 -0.449 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)NCCC(=O)NCCC(=O)O 1604061962 YBWSOVSJSUQNAC-SECBINFHSA-N 320.371 -0.964 30 20 DBED CCc1cnc(CC(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[nH]2)[nH]1 1604537242 HFQKDMNIMCQNSP-UHFFFAOYSA-N 312.297 -0.072 30 20 DBED N#Cc1c[nH]ccc1=NC(=O)[C@H]1CCCN(CC(=O)O)C1=O 1605626797 OPEVQZMJNLXRRR-SNVBAGLBSA-N 302.290 -0.363 30 20 DBED CN(C(=O)[C@H]1C[C@@H]1C(=O)O)C1CN(C(=O)c2ccc(C#N)[nH]2)C1 1605955955 CSTBQSYEEAFISR-QWRGUYRKSA-N 316.317 -0.110 30 20 DBED CNC(=O)NC(=O)[C@@H](C)N1CC[C@H](NC(=O)C#CC(C)C)C1 1692397096 MSYKRDXMYZROTL-NEPJUHHUSA-N 308.382 -0.320 30 20 DBED C#CCNC(=O)CN1CCC[C@H](NC(=O)C(C)(C)NC(C)=O)C1 1713063050 GOMNSHUYRGLLSW-ZDUSSCGKSA-N 322.409 -0.769 30 20 DBED C=C[C@](C)(O)CC(=O)NCCN1CCN(CC#CCOC)CC1 1752364744 CLSZAUZHDCPSMN-KRWDZBQOSA-N 323.437 -0.303 30 20 DBED C=CCNC(=O)CN[C@H]1C[C@H](NC(=O)CCN2CCOCC2)C1 1752671402 HYUUPHIRJSZOHP-HDJSIYSDSA-N 324.425 -0.752 30 20 DBED C[C@H]1CCN(CC(=O)N2CC[C@H](CNCC(=O)NCC#N)C2)C1 1752952343 WWMIQNXTUKLNTL-UONOGXRCSA-N 321.425 -0.594 30 20 DBED CCN(CC#CCOC)CCNC(=O)C[C@@H]1CC(=O)NC1=O 1753095656 DGLOMYMLELLVBJ-GFCCVEGCSA-N 309.366 -0.873 30 20 DBED C=CCNC(=O)[C@@H](C)NCCN(C)C(=O)CC1OCCCO1 1753183745 XVPYXTDEWPOXLZ-GFCCVEGCSA-N 313.398 -0.122 30 20 DBED C[C@H](CNCC(=O)NCC#N)NC(=O)c1cn2c(n1)CCC2 1754225754 KCOMLNVGKYERBT-SNVBAGLBSA-N 304.354 -0.823 30 20 DBED C=C(C)CNC[C@]1(C)CCN(C(=O)CNC(=O)CNC(C)=O)C1 1754698549 OKNBYFQHFAGPOK-INIZCTEOSA-N 324.425 -0.357 30 20 DBED C=C(C)CNC[C@H]1CN(C(=O)CN2C(=O)CN(C)C2=O)CCO1 1755016115 VUPYJSMGSAJFLP-LBPRGKRZSA-N 324.381 -0.727 30 20 DBED C=CCn1cc(C(=O)N2CCC[C@](CO)(NC[C@H](C)O)C2)nn1 1755089426 OTVATXPFNJRMQC-WFASDCNBSA-N 323.397 -0.598 30 20 DBED C=CCNC(=O)CN[C@H](CO)CNC(=O)c1[nH]c(C)nc1C 1755639664 VWMULBMZJGWDOO-NSHDSACASA-N 309.370 -0.991 30 20 DBED CCn1cccc1C(=O)N(C)C[C@H](O)CNCC(=O)NCC#N 1755796467 PWSPNKGYPJITOO-GFCCVEGCSA-N 321.381 -0.830 30 20 DBED C#CCOCCC(=O)N[C@H](CNCc1nnnn1C)C(C)(C)C 1755821485 FZYVGIFDPCHKQL-GFCCVEGCSA-N 322.413 -0.130 30 20 DBED COC[C@]1(C(=O)O)CCCN(S(=O)(=O)N(C)CCC#N)C1 1777189124 YIYPXQAMNKDXPV-LBPRGKRZSA-N 319.383 -0.110 30 20 DBED C=CCC(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783567653 UWIDJHUNTHBHMC-OAHLLOKOSA-N 306.318 -0.520 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncccn1 1794819147 FISBZAZLVJNXFD-PTEHBNRSSA-N 300.318 -0.687 30 20 DBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCC(C)=O)CCO2 1834872618 JWXZCWPRKVTXQZ-INIZCTEOSA-N 322.361 -0.555 30 20 DBED C[C@@H](O)C(=O)N1CCCC12CN(C(=O)C(C)(C)NCCC#N)C2 1846170061 AIDQOGBWHGYPPF-GFCCVEGCSA-N 322.409 -0.148 30 20 DBED C=CCN(C(=O)CCNS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 49318040 OLKGZAXNXRHTCB-JTQLQIEISA-N 324.424 -0.873 30 20 DBED C#C[C@@H](C)NC(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C 287050876 PGTVAMYGQVUXMY-MRVPVSSYSA-N 301.306 -0.225 30 20 DBED C=CCCOCCNC(=O)C(=O)N1CCO[C@@H](COC)C1 289502452 ZMPVXUHDBMGMRB-GFCCVEGCSA-N 300.355 -0.431 30 20 DBED C=CCN(C(=O)Cn1cnnc1O)[C@H]1CCS(=O)(=O)C1 329623151 UTYHPDJKVPTHFG-VIFPVBQESA-N 300.340 -0.815 30 20 DBED C[C@H](CN1CCN(C)CC1)/N=C(/O)N[C@H]1CCC(=O)N(C)C1 329651645 CWZHYBUCOXAFSO-OLZOCXBDSA-N 311.430 -0.253 30 20 DBED C=CC[C@H](CO)CNC(=O)C1CCN(S(C)(=O)=O)CC1 330706582 OVOOAGBYBDZGLM-NSHDSACASA-N 304.412 -0.041 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@@H]1CCCCNC1=O 331879633 CDJWCENVGOOUFJ-LLVKDONJSA-N 318.399 -0.648 30 20 DBED C[C@]1(CO)CCC[C@H]1NS(=O)(=O)N1CCO[C@H](C#N)C1 337086214 DXRPPJHWVWEHHZ-IJLUTSLNSA-N 303.384 -0.404 30 20 DBED CCNC(=O)CNC(=O)C(=O)N1CCc2ccc(C#N)cc21 339789302 YUSOULJRDLIOQH-UHFFFAOYSA-N 300.318 -0.300 30 20 DBED CN1CCC[C@H](NC(=O)C(=O)NCc2cccc(C#N)c2)C1=O 340146382 AMFFDKVGLZKYKM-ZDUSSCGKSA-N 314.345 -0.089 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCCn2cccn2)C1=O 342926064 WIIDIWTZIJPLAE-LBPRGKRZSA-N 319.365 -0.755 30 20 DBED COCC[C@H](NS(=O)(=O)c1ccc(F)cc1C#N)C(N)=O 342998906 XZYZNWAMBKOLIJ-JTQLQIEISA-N 315.326 -0.134 30 20 DBED CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCC#N)cc1 345046028 AONVPPHOOMKJBM-VIFPVBQESA-N 324.362 -0.048 30 20 DBED N#CCN(CC#N)C(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 346774929 IQMVNIJCTMFLIJ-AAXDQBDMSA-N 316.317 -0.585 30 20 DBED C=CCN1CC[C@H](N(C)S(=O)(=O)C[C@@H](C)C(=O)OC)C1=O 350223980 NBYBGXGHNQYNHH-MNOVXSKESA-N 318.395 -0.156 30 20 DBED Cc1ccc(C(=O)NC[C@@H](C)O)cc1S(=O)(=O)NCC#N 352694584 XRHUMGNWGIBSHO-SNVBAGLBSA-N 311.363 -0.093 30 20 DBED Cn1cnnc1NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 355805519 MHWKLYJNJPEPIJ-UHFFFAOYSA-N 320.334 -0.396 30 20 DBED C#CCN1CCN(C(=O)CN2CCC[C@@H](OCCOC)C2)CC1 490900624 XENVLBSKSTZVQY-MRXNPFEDSA-N 323.437 -0.109 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2C[C@@H](OC)C2(C)C)C1=O 531475735 JDCIVKMBEVDJRN-NXEZZACHSA-N 323.349 -0.107 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C2(S(N)(=O)=O)CC2)C1=O 581255883 JLKRRLJSECMQPV-SECBINFHSA-N 301.368 -0.947 30 20 DBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)NC[C@@H]1COCCN1 599942269 YLOWKRIONWJJSY-SNVBAGLBSA-N 321.385 -0.574 30 20 DBED CS(=O)(=O)NC1CN(C(=O)Cc2c(F)cccc2C#N)C1 600326372 OWCMQMACUCNHMS-UHFFFAOYSA-N 311.338 0.000 30 20 DBED COCCN(C)CCN1C[C@@H](Nc2cncc(C#N)n2)CC1=O 601177858 BGECMXAXALUUOL-LBPRGKRZSA-N 318.381 -0.061 30 20 DBED C[C@H](C(=O)NC1(C#N)CCC1)N(C)CC(=O)N1CCN(C)CC1 602989149 FHEQEYTVOPTMFY-CYBMUJFWSA-N 321.425 -0.357 30 20 DBED CN(C)C(=O)Cn1cc(NC(=O)N2CCO[C@@H](C#N)C2)cn1 610478467 XCWBQUDBTIUORI-NSHDSACASA-N 306.326 -0.272 30 20 DBED C=C[C@](C)(O)C(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1 614190723 SBIBZJUABZNREE-AAEUAGOBSA-N 302.396 -0.050 30 20 DBED C=C[C@H](CO)NC(=O)NCc1cc(S(N)(=O)=O)ccc1F 664133227 FENRNSBEDLAGQI-SECBINFHSA-N 317.342 -0.181 30 20 DBED CCOC(=O)C(=O)N1CCN(C(=O)C2(C#N)CCOCC2)CC1 736131230 MXDZIQPSKWQKKN-UHFFFAOYSA-N 323.349 -0.459 30 20 DBED C=CCS(=O)(=O)NC(=O)CN1CCN(c2ccccn2)CC1 774252739 VXRBHHGERNMTSW-UHFFFAOYSA-N 324.406 -0.164 30 20 DBED N#Cc1cc(O)cc(C(=O)N2CCN(S(N)(=O)=O)CC2)c1 776642472 DIBNXJUKNROJCS-UHFFFAOYSA-N 310.335 -0.775 30 20 DBED C#CCOc1ccc(NC(=O)C(=O)N[C@H]2CNC(=O)C2)cc1 784867187 FSQDUOQHPACIGO-LLVKDONJSA-N 301.302 -0.358 30 20 DBED C#C[C@H](NC(=O)C(=O)NCCCOCCOC)[C@@H]1CCCO1 785563928 TZHBYDLPDAMASN-STQMWFEESA-N 312.366 -0.547 30 20 DBED C#CCCCNC(=O)C(=O)NCCCN1CCC[C@@H](C(N)=O)C1 804065507 QAFSKUVTICLGNI-CYBMUJFWSA-N 322.409 -0.780 30 20 DBED CN(C)c1c(C=NNC2CCOCC2)c(=O)n(C)c(=O)n1C 807977568 SBMFNVAGAKSIQN-UHFFFAOYSA-N 309.370 -0.748 30 20 DBED C#CC[C@H](CO)NC(=O)CNC(=O)c1ccc(OC)c(OC)c1 816670593 ZXIWEESOUYFPBA-GFCCVEGCSA-N 320.345 -0.066 30 20 DBED COC(=O)c1cn(C2CN(C(=O)[C@@](C)(C#N)CC(=O)O)C2)nn1 820689615 XKCWOODFAWYPGZ-CYBMUJFWSA-N 321.293 -0.547 30 20 DBED C=C[C@H](O)C(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1 827455252 BORBEXMQBVMARX-VIFPVBQESA-N 312.338 -0.086 30 20 DBED COC(=O)c1ccc(N2CCCN(CC(N)=O)CC2)c(C#N)n1 848652410 PFYXVCUTJGMIID-UHFFFAOYSA-N 317.349 -0.263 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)c1cnc(N(C)C)cn1 848775982 BEBIHVFSDXYFJU-UHFFFAOYSA-N 307.310 -0.289 30 20 DBED C#CCOCCOC(=O)CNS(=O)(=O)c1c(C)noc1C 853883723 CHEYQNIMNGMURN-UHFFFAOYSA-N 316.335 -0.237 30 20 DBED C#CCN1CCN(C(=O)CN2CCO[C@@H](COCC)C2)CC1 859769835 JDSOLTVLLDTFGP-OAHLLOKOSA-N 309.410 -0.499 30 20 DBED C#CC[C@H](CCOC)NC(=O)Cn1[nH]cc2c(=O)ncnc1-2 863786445 AEXSVYXWRKLYEL-SNVBAGLBSA-N 303.322 -0.384 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)NCc1ccnc(C)n1 875108832 WRTXKMKAOMUPRV-GFCCVEGCSA-N 304.350 -0.054 30 20 DBED C#CCN1CCC[C@@H](NC(=O)N2CCN3CCOC[C@H]3C2)C1 890366812 FFXLBFFAYPWGBG-HUUCEWRRSA-N 306.410 -0.190 30 20 DBED O=C(CO)N1CCN(C(=O)c2cccc(C#CCO)c2)CC1 901232005 ZOAQWOKSWUIBDW-UHFFFAOYSA-N 302.330 -0.693 30 20 DBED C#CC1(O)CN(S(=O)(=O)c2cc(F)ccc2C(=O)OC)C1 908231363 HEFLAVJYIPBPAN-UHFFFAOYSA-N 313.306 -0.019 30 20 DBED C#CC[C@@H](NC(=O)CN1CCC[C@@H](C(=O)OCC)C1)C(=O)OC 909889687 MDPYAVOXLZZFPM-CHWSQXEVSA-N 324.377 -0.057 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N[C@H](C)[C@H]1CN(C)CCN1C 919991773 XWXLQFCJFUOYHZ-JHJVBQTASA-N 317.459 -0.453 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)c2cc(C(N)=O)c[nH]2)C1 938538497 GNMOBHUIISQRSS-WPRPVWTQSA-N 303.322 -0.396 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](NC(=O)c2ccoc2CC(N)=O)C1 938550117 PXMBZXRJYQVHBD-ZJUUUORDSA-N 318.333 -0.202 30 20 DBED Cc1ncc(C(=O)NC[C@@H]2CN(C(=O)[C@@H](C)C#N)CCO2)[nH]1 944511292 VJSBJWZNDUBDLV-GXSJLCMTSA-N 305.338 -0.165 30 20 DBED C#CCN1CCOC2(CCN(C(=O)[C@@H]3CCN(C)C3=O)CC2)C1 949441028 KZMKXQHPFWZDMS-CQSZACIVSA-N 319.405 -0.209 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2ncn(C(C)(C)C)n2)C1 958400423 UQURWBWSRQBRSO-NWDGAFQWSA-N 305.382 -0.311 30 20 DBED CC#CCN1C[C@@H](O)[C@@H](CNC(=O)c2ccc(C(N)=O)[nH]2)C1 958409537 UPSBZRWBNQMHEW-GXFFZTMASA-N 304.350 -0.841 30 20 DBED C#CCCN1C[C@@H](O)[C@@H](CNC(=O)c2ccc(N(C)C)nn2)C1 958600210 YFDZYPWZDFKHOK-GXTWGEPZSA-N 317.393 -0.412 30 20 DBED N#Cc1cc(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@H]3CCOC3)C2)c[nH]1 961800700 PNYGWGQCRDHKPL-BIMULSAOSA-N 318.333 -0.776 30 20 DBED O=C(N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O)[C@H]1CCCOC1 961861146 BTFBUAPCDJMNQP-MJBXVCDLSA-N 306.362 -0.486 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)c1cnnc(O)c1 964237888 QLEFHFARBASSPI-ONGXEEELSA-N 319.321 -0.701 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)C(N)=O)CC1 964930579 ODYNKLDDRRPPSN-XQQFMLRXSA-N 323.393 -0.050 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H](NCc2nnn(C)n2)C1 968716988 MWPLKXZYDXUVHA-UPJWGTAASA-N 320.397 -0.118 30 20 DBED C#CCN[C@@H]1CCN(C(=O)[C@@H]2COCCN2CC(F)F)C1 969466534 VJQJOEZVXUGLON-NEPJUHHUSA-N 301.337 -0.224 30 20 DBED N#CCN1C[C@H]2CC[C@H]1CN2C(=O)[C@@H]1CCCN(C(N)=O)C1 971577867 CVINCCKTQQIPTR-FRRDWIJNSA-N 305.382 -0.024 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)CCn3ccnn3)C[C@H]21 974974912 NYLZHGKRHKSCCF-YNEHKIRRSA-N 316.365 -0.113 30 20 DBED CN(C[C@H]1CCN1C(=O)c1ccc(C#N)[nH]1)C(=O)c1cnn[nH]1 977972460 UMTVQJSMBNULAW-SNVBAGLBSA-N 313.321 -0.009 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]1CN(C)C(=O)c1cnc(O)n1C 978153398 ODFPEZUXIKCYTN-VHSXEESVSA-N 305.338 -0.042 30 20 DBED C[C@H](NCc1ccc(C#N)s1)[C@H]1CN(C(=O)C(N)=O)CCO1 979361683 RCYVFNDIHKEQEQ-JOYOIKCWSA-N 322.390 -0.189 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H](N(C)C(=O)Cn2cncn2)C1 984595934 WYFCTEQXXMLMAX-RYUDHWBXSA-N 304.354 -0.113 30 20 DBED C#CCN[C@H]1CN(C(=O)c2cn(CCOC)nn2)CC1(C)C 995787030 PXZJWLJLDLSHRK-ZDUSSCGKSA-N 305.382 -0.002 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@H]2COCCN2C(C)=O)CC1(C)C 996640750 BOTVGBSINGCMMH-ZIAGYGMSSA-N 307.394 -0.307 30 20 DBED C#CCN1CCC(C(=O)N2CCC(N[C@@H](C)C(N)=O)CC2)CC1 997365340 RMRGFUFKHHFOOM-ZDUSSCGKSA-N 320.437 -0.214 30 20 DBED C#CCNC1CC(N(C)C(=O)CN2C(=O)NC(C)(C)C2=O)C1 999787896 DDIJJUQRGFZEAG-UHFFFAOYSA-N 306.366 -0.471 30 20 DBED Cc1cc(C(=O)NC2CN(C(=O)[C@H](C)C#N)C2)ncc1C(N)=O 1000302588 XNIMWIISKOAMKF-SECBINFHSA-N 315.333 -0.411 30 20 DBED C[C@H](NC(=O)c1c[nH]c(C#N)c1)C1CN(C(=O)c2cnn[nH]2)C1 1005941639 BKPSQXFXHQPNPB-QMMMGPOBSA-N 313.321 -0.105 30 20 DBED C[C@@H](C#N)C(=O)N1CC([C@@H](C)NC(=O)C2CS(=O)(=O)C2)C1 1006144695 PJMBHCIOQPTRAG-DTWKUNHWSA-N 313.379 -0.846 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCN(C(=O)[C@]3(C)CNC(=O)C3)C2)C1 1019364675 JNSFQBNNBASXTH-NHYWBVRUSA-N 318.377 -0.267 30 20 DBED C=CCN1CC[C@@H](N[C@H]2C[C@H](NC(=O)[C@@H]3CCN(C)C3)C2)C1=O 1021049043 GBVFEGKPUNYNPV-KBUPBQIOSA-N 320.437 -0.038 30 20 DBED C=CCN1CC[C@H](NC[C@H]2CCCN(C(=O)C(N)=O)C2)C1=O 1024126122 CVXSROVVYWACTD-NEPJUHHUSA-N 308.382 -0.913 30 20 DBED C#CCCN1CCCC[C@@H]1CNC(=O)c1cn(CC(N)=O)nn1 1024812962 UGFOTJQKDBZEFB-GFCCVEGCSA-N 318.381 -0.629 30 20 DBED C=CCN1CC[C@@H](CNC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 1028705930 BJTBZHNMQPRRTJ-AAEUAGOBSA-N 303.366 -0.010 30 20 DBED C=CCCN1CC(NC(=O)Cn2ncn3nccc3c2=O)C1 1031041693 UOGOZGVDYXANMQ-UHFFFAOYSA-N 302.338 -0.733 30 20 DBED C#CCN1CCC(C(=O)NC2CN(CCn3cncn3)C2)CC1 1031434795 FMYVGVVJQRTQJC-UHFFFAOYSA-N 316.409 -0.576 30 20 DBED C#CCCN1CCCC[C@H](NC(=O)CN2CC(=O)N(C)C2=O)C1 1034485001 CXCYSQIDZNANEV-ZDUSSCGKSA-N 320.393 -0.126 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)c2c(OC)ccnc2O)C1 1035579644 LAQPYAIVTOYROR-NSHDSACASA-N 305.334 -0.140 30 20 DBED C=CCN[C@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C[C@H]1C 1036038087 LJYJMPAKZCZWMH-MNOVXSKESA-N 306.370 -0.610 30 20 DBED C[C@H]1CN(C(=O)CCn2ncn(C)c2=O)CC[C@@H]1NCC#N 1036115295 LLFLBURFNULMRI-RYUDHWBXSA-N 306.370 -0.678 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2[C@H]3C[C@H]2N(CC(=O)N(C)C)C3)cn1 1037680156 OZFRFONWJWFGRC-BJJXKVORSA-N 312.373 -0.046 30 20 DBED CC[C@H]1CN(C(=O)c2cnc(O)n(C)c2=O)CC[C@@H]1NCC#N 1037901756 DBBKDTPFVTXLIO-JQWIXIFHSA-N 319.365 -0.160 30 20 DBED C=C[C@@H](CC)CC(=O)NC[C@@]1(O)CCN(C(=O)CC(N)=O)C1 1040630883 XNWJIFBTIGOIEQ-NHYWBVRUSA-N 311.382 -0.456 30 20 DBED C#CCCCC(=O)N1CC[C@@](O)(CNC(=O)c2cnon2)C1 1040666318 VOTUMADFKGJRHS-CQSZACIVSA-N 306.322 -0.434 30 20 DBED C[C@@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)c2cn(C)cn2)C1 1040763878 SHPGFRXMLDAHQU-IINYFYTJSA-N 305.338 -0.727 30 20 DBED Cn1nccc1C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1O 1040943414 VLUHWVCDPOMVSC-MWLCHTKSSA-N 313.321 -0.939 30 20 DBED CC(C)(O)CC(=O)NCC1(O)CN(C(=O)c2c[nH]c(C#N)c2)C1 1042826677 BPMDQOAJLHCMMK-UHFFFAOYSA-N 320.349 -0.650 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)CN(CC)CC)C1 1043159980 PDGVSYICCUQOPR-UHFFFAOYSA-N 309.410 -0.179 30 20 DBED C=CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2ccncc2)C1 1043568832 OYVRQRLPOUZOJS-LBPRGKRZSA-N 319.361 -0.024 30 20 DBED Cc1nn(CC(=O)N2CC[C@@H](NCC#N)C[C@@H]2C)c(=O)n1C 1044835910 HSLFZIKDWQONOP-CMPLNLGQSA-N 306.370 -0.617 30 20 DBED C[C@H]1C[C@H](NCC#N)CCN1C(=O)CN1C(=O)CN(C)C1=O 1044850600 VLDJHUHVADJWCO-WDEREUQCSA-N 307.354 -0.627 30 20 DBED Cc1cnn(C)c1C(=O)NCC1(O)CN(C(=O)C#CC(C)C)C1 1044954026 ZKSHJAKHJHVMMV-UHFFFAOYSA-N 318.377 -0.309 30 20 DBED C#CCN1CC[C@H](N2CCN(C(=O)[C@H]3CCNC(=O)C3)CC2)C1 1046020191 PCCMGQGOORWVGC-GJZGRUSLSA-N 318.421 -0.636 30 20 DBED C[C@]1(NC(=O)c2cn([C@H]3CCOC3)nn2)CCN(CC#N)C1 1046756709 BLAXNCTUFQUUBI-FZMZJTMJSA-N 304.354 -0.043 30 20 DBED N#Cc1nc(=N[C@H]2C[C@H](CNC(=O)[C@H]3COC(=O)N3)C2)cc[nH]1 1046808926 MKUYEHQWKSIPST-OPRDCNLKSA-N 316.321 -0.815 30 20 DBED C=CCN1C[C@H]2C[C@H](NC(=O)Cn3cnc(C(N)=O)n3)C[C@H]1C2 1047071691 BAIFJOAOOJYNOK-SDDRHHMPSA-N 318.381 -0.468 30 20 DBED Cn1cc(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)N(CC#N)C3)c(O)nc1=O 1047201672 XVYSGJRVPJHDDY-DCAQKATOSA-N 317.349 -0.408 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2nnn(CC)c2CC)C1 1047524451 KNPSJISREMGGCF-STQMWFEESA-N 305.382 -0.389 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCCN(C)C2=O)C1 1047593735 TYMYSPIZHHRRMH-RDBSUJKOSA-N 309.410 -0.066 30 20 DBED C=CCCOCC(=O)N(C)[C@H]1CN(C(=O)C(F)F)C[C@@H]1O 1049007379 IKTGLCJJKJHMEA-UWVGGRQHSA-N 306.309 -0.126 30 20 DBED C=CCCOCC(=O)N1CC[C@H]([C@@H](C)NC(=O)CC(N)=O)C1 1051017881 NTZOWEICBVUSBC-NEPJUHHUSA-N 311.382 -0.192 30 20 DBED N#CCN1CCOC[C@H]1CNC(=O)c1ccoc1CC(N)=O 1051083732 JDZTVOMLMUOQQP-SNVBAGLBSA-N 306.322 -0.738 30 20 DBED C=CCCN1CCOC[C@@H]1CNC(=O)c1nccnc1C(N)=O 1051236441 GFEIKNQNGGEFEA-NSHDSACASA-N 319.365 -0.418 30 20 DBED CCn1ncc(CNC[C@H]2CN(C(=O)[C@@H](C)C#N)CCO2)n1 1051495163 RJLZDBXVIKSCBN-AAEUAGOBSA-N 306.370 -0.225 30 20 DBED C#CCN1CC2(C1)CN(C(=O)c1cn(C)c(C)cc1=O)CCO2 1053296684 UKZLSNUNJYXAKM-UHFFFAOYSA-N 315.373 -0.146 30 20 DBED C#CCN1CC2(C1)CN(C(=O)c1ccc(OC)nn1)CCO2 1053496871 QMMCVEKXKWVTOL-UHFFFAOYSA-N 302.334 -0.355 30 20 DBED C=C(C)CN1CC2(C[C@H](NC(=O)c3cn(C)c(=O)cn3)CO2)C1 1053874635 GITXPEGJDCGNLL-LBPRGKRZSA-N 318.377 -0.071 30 20 DBED C=CCCN1CC2(C[C@@H](NC(=O)c3cn(C)c(=O)n3C)CO2)C1 1054018640 HDYWHTQBFQCPFY-GFCCVEGCSA-N 320.393 -0.127 30 20 DBED CCC(=O)NCC(=O)N1C[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2C1 1055253620 LHMOHEMHQYHQEB-UTUOFQBUSA-N 306.366 -0.411 30 20 DBED C[C@@H](CC(N)=O)C(=O)N1C[C@H]2CN(C(=O)C#CC3CC3)C[C@H]2C1 1055332525 YYHYGEPBAJKZCI-FPMFFAJLSA-N 317.389 -0.172 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@]1(CO)CCCN(C(=O)COC)C1 1055912121 MLJOYTVYCIUJHC-GJZGRUSLSA-N 314.382 -0.570 30 20 DBED C#CCCCCC(=O)N(CCO)CCNC(=O)CC(=O)NC 1057387309 AYUCIRPLZFGCDK-UHFFFAOYSA-N 311.382 -0.747 30 20 DBED CN1CC[C@H](C(=O)N[C@H]2CCN(c3ccc(C#N)nn3)C2)C1 1058373248 DGKOBQWBVAUOIH-AAEUAGOBSA-N 300.366 -0.005 30 20 DBED Cn1cnc(C(=O)N2CC[C@H](N=c3cc[nH]cc3C#N)C2)cc1=O 1059106601 DZONODDZHFJCTQ-LBPRGKRZSA-N 324.344 -0.205 30 20 DBED O=C1N[C@H](C(=O)NCC[C@@H]2CCN(C(=O)C#CC3CC3)C2)CO1 1059620516 BOYIIJWTQMNJQJ-OLZOCXBDSA-N 319.361 -0.137 30 20 DBED C#Cc1ccc(C(=O)NCC[C@@H]2CCN(C(=O)C(N)=O)C2)cn1 1060271199 JEKPTKFPVXKNDO-LLVKDONJSA-N 314.345 -0.483 30 20 DBED CCC(=O)NCC(=O)NC[C@@H]1COCCN1C(=O)C#CC1CC1 1061428486 KCLPXXZTRXXUHB-CYBMUJFWSA-N 321.377 -0.730 30 20 DBED C#CCCCC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1COC(=O)N1 1061540395 JYWZOVIVIUQODY-NEPJUHHUSA-N 323.349 -0.758 30 20 DBED CC(C)C#CC(=O)NC[C@H]1COCCN1C(=O)Cn1ccnc1 1061568597 LUHHQKJAHHAYBA-AWEZNQCLSA-N 318.377 -0.114 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)c1cnnc(O)c1 1061852483 ITDHOVRLHRVVEU-ONGXEEELSA-N 319.321 -0.701 30 20 DBED CN(C(=O)[C@@H]1COC(=O)N1)[C@@H]1CCN(c2nccnc2C#N)C1 1062929147 ZWRCPBKYGNVCJK-KOLCDFICSA-N 316.321 -0.506 30 20 DBED C#CCOCCC(=O)NC1(CNC(=O)c2cnn[nH]2)CCC1 1063585203 JZKZZIYCEVGBNW-UHFFFAOYSA-N 305.338 -0.387 30 20 DBED N#Cc1nccc(N2CCO[C@@H](CNC(=O)[C@H]3CCOC3)C2)n1 1063619302 RSQCOHTUGXGENM-RYUDHWBXSA-N 317.349 -0.294 30 20 DBED O=C(C#CC1CC1)NC1(CNC(=O)[C@@H]2CCNC2=O)CCC1 1063908068 SMMFYJNRCNCKMR-GFCCVEGCSA-N 303.362 -0.309 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@H]1CN(C(=O)COCC)CCO1 1064808975 VKZVEENVVYUJDQ-WFASDCNBSA-N 314.382 -0.306 30 20 DBED C[C@]1(NC(=O)[C@H]2CCNC2=O)CCN(c2ccc(C#N)nn2)C1 1065312581 SJWFDWXKYIRGJC-NHYWBVRUSA-N 314.349 -0.431 30 20 DBED CN(C)CCC(=O)N1CCO[C@@H](CNC(=O)C#CC2CC2)C1 1065572612 UQSCZGJCYOJGRJ-AWEZNQCLSA-N 307.394 -0.305 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CCCN(C(=O)CNC(N)=O)CC1 1066166258 JRWPCIIHBGAFHY-VXGBXAGGSA-N 324.381 -0.810 30 20 DBED N#Cc1ccc(NC[C@H]2CN(C(=O)CC(N)=O)CCO2)cn1 1066607378 NGIANHHANMALOM-LBPRGKRZSA-N 303.322 -0.532 30 20 DBED C[C@H]1CN(C(=O)Cn2nccn2)C[C@H]1N=c1cc[nH]cc1C#N 1067154151 ZGMZJJZEPWOYAW-SMDDNHRTSA-N 311.349 -0.074 30 20 DBED Cc1cc(C#N)nc(N2CC[C@@H](NC(=O)C(N)=O)[C@H](C)C2)n1 1067429148 GCSFVTRTGUOIRV-LDYMZIIASA-N 302.338 -0.527 30 20 DBED CCc1nc(C#N)cc(NC[C@H]2C[C@H](NC(=O)C(N)=O)C2)n1 1068574265 GAHYBOFVYUQDFC-KYZUINATSA-N 302.338 -0.297 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H]2CCCOC2)C1 1069901710 PJYWDEDWWYUECE-MJBXVCDLSA-N 303.366 -0.321 30 20 DBED CCC(=O)NCC(=O)NC1(CNC(=O)[C@@H](C)C#N)CCOCC1 1070042177 YWLGFAODIHDDMF-NSHDSACASA-N 324.381 -0.546 30 20 DBED C#CCN[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@@H]1n1ccnn1 1070273904 KFICEJPMQUJYSO-KFWWJZLASA-N 316.409 -0.263 30 20 DBED CO[C@H](C(=O)N1CCC(=O)NCCN(CC#N)CC1)C1CCC1 1070983005 XZVDSCHJZFGDRH-HNNXBMFYSA-N 322.409 -0.024 30 20 DBED CNC(=O)NC(C)(C)C(=O)N[C@@H]1CCCN(C(=O)[C@H](C)C#N)C1 1071229484 QXFXZOSRVQVWMJ-GHMZBOCLSA-N 323.397 -0.039 30 20 DBED CNC(=O)CC(=O)N[C@H]1CN(C(=O)CSCC#N)C[C@H]1C 1071656998 YEGHGBCIQLOIJS-ZJUUUORDSA-N 312.395 -0.658 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H](C)[C@@H](NC(=O)C(C)(F)F)C1 1071921940 MVRGQTWYWAJNHR-UWVGGRQHSA-N 315.320 -0.256 30 20 DBED C=CCCC(=O)N1CC(N2CCN(C(=O)c3nc[nH]n3)CC2)C1 1073586245 FODFVGRLAILUAR-UHFFFAOYSA-N 318.381 -0.261 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(C(=O)Cn2ncnn2)C[C@@H]1C 1073817015 IZTRYSQJPUUJEK-RYUDHWBXSA-N 322.369 -0.771 30 20 DBED CC(=O)N1CCC(C(=O)NC[C@@H]2CN(CC#N)CCCO2)CC1 1073885977 CXUCRDXVLOBRHK-OAHLLOKOSA-N 322.409 -0.024 30 20 DBED N#CCN1CCO[C@H]2CCN(C(=O)CCn3cncn3)C[C@H]21 1074170302 LXSRXBROVCHNHD-OLZOCXBDSA-N 304.354 -0.507 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)c3cccn(C)c3=O)C[C@@H]21 1074382398 JWMGMATWACMNJO-LSDHHAIUSA-N 315.373 -0.066 30 20 DBED CC(C)C#CC(=O)N[C@H]1CCN(C(=O)CNC(N)=O)[C@@H](C)C1 1074972542 GUICKYBWXUWSIK-RYUDHWBXSA-N 308.382 -0.190 30 20 DBED C=C[C@](C)(O)CC(=O)NCC[C@H](C)NC(=O)c1cnnn1C 1076300438 JXVGWQJXYDAUKT-HZMBPMFUSA-N 309.370 -0.233 30 20 DBED CC(C)C#CC(=O)NCC[C@H](C)NC(=O)CN1CCOCC1 1076411662 SOQQVOOKWDKOCE-AWEZNQCLSA-N 309.410 -0.011 30 20 DBED CC(C)(C)N1CC[C@](F)(C(=O)N[C@@H]2CN(CC#N)C[C@H]2O)C1 1077680768 VYJYODFXXKTSLS-LALPHHSUSA-N 312.389 -0.116 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2n[nH]c3c2C[C@@H](C)CC3)C1 1077920280 CEQMOCARFFBQBV-ZLKJLUDKSA-N 302.378 -0.057 30 20 DBED CCN(C(=O)CSCC#N)C1CN(C(=O)c2cn(C)nn2)C1 1079341897 RHPDVEXFFFFMNH-UHFFFAOYSA-N 322.394 -0.255 30 20 DBED C=CCOCC(=O)N1CC(N(CC)C(=O)c2nccnc2N)C1 1079516013 VEPHHVAVCSCWPO-UHFFFAOYSA-N 319.365 -0.066 30 20 DBED CCN(C(=O)CNC(=O)NC)C1CN(C(=O)C#CC(C)C)C1 1079918887 JFTKXLIXVIQXFD-UHFFFAOYSA-N 308.382 -0.366 30 20 DBED C=C1CC(C)(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)CNC(C)=O)C2)C1 1081206945 DQFPIPVQBGYIMI-QWHCGFSZSA-N 323.393 -0.586 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)CNC(=O)CC)C[C@@H]1O 1081442913 ZUQXIAAZBYFCJQ-STQMWFEESA-N 323.393 -0.748 30 20 DBED C=CCCOCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2ncc[nH]2)C1 1081455660 PWCBPTTYCJIMMH-NEPJUHHUSA-N 322.365 -0.449 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cnco2)C1 1081623244 JAHVEEMKVVSGCF-NEPJUHHUSA-N 305.334 -0.117 30 20 DBED C=CC(C)(C)C(=O)NC[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1O 1081642054 BIADSHMCANZCFN-GHMZBOCLSA-N 323.393 -0.600 30 20 DBED C=CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)C1CS(=O)(=O)C1 1083092340 FZQUTNLFJFUTFA-QWHCGFSZSA-N 314.407 -0.481 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CN(CCn3cccn3)C[C@@H]2O)c1 1083390220 HIWGXUXCNLXGQM-KGLIPLIRSA-N 314.349 -0.442 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)c2ccn(CCN(C)C)n2)C1 1083470292 JWZZAKWUHJRMJU-CABCVRRESA-N 321.425 -0.204 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCCN(C(=O)CC)C2)C1 1083483478 WUMFKBXPUQPJMI-MCIONIFRSA-N 309.410 -0.018 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)[C@H]2COc3ccccc3C2)C1 1083623279 ZUVCQJBQKIHDAZ-MCIONIFRSA-N 301.346 -0.077 30 20 DBED CC(=O)NCC(=O)N[C@H]1CC[C@H](C)N(c2cncc(C#N)n2)C1 1089116693 STMUEKXXBQNBFD-JQWIXIFHSA-N 316.365 -0.042 30 20 DBED CC(C)OCCC(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1O 1090397608 QPHMFOLMORCFDQ-CHWSQXEVSA-N 319.365 -0.171 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2cccc3ncnn23)[C@@H](O)C1 1090398677 GYPPCQGVFNLMOM-PWSUYJOCSA-N 300.322 -0.582 30 20 DBED CC[C@H](C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1O)N(C)C 1090455187 OZRQTWRYVKGQTM-JHJVBQTASA-N 318.381 -0.646 30 20 DBED C[C@H](C#N)C(=O)NC1[C@H]2CN(c3ncnc4c3nnn4C)C[C@H]12 1093234401 KXRBQHLFELPXRA-VGMNWLOBSA-N 312.337 -0.531 30 20 DBED N#Cc1c[nH]ccc1=NCCNC(=O)c1ccc2nnc(O)n2c1 1093727616 QLAKWHIVZDQFFP-UHFFFAOYSA-N 323.316 -0.035 30 20 DBED Cc1ccc(C#N)c(NCCNC(=O)CCn2cnnn2)n1 1093823943 ZSCJQCBYRMLQLF-UHFFFAOYSA-N 300.326 -0.133 30 20 DBED COCC(=O)NCCC(=O)NCCNc1ncccc1C#N 1094198632 SUZGYKBGTQSLLG-UHFFFAOYSA-N 305.338 -0.366 30 20 DBED CCc1n[nH]cc1C(=O)NCc1cn(C2CN(CC#N)C2)nn1 1094302080 JXACZGKRZGSTSB-UHFFFAOYSA-N 314.353 -0.126 30 20 DBED C#CCCN1CC(n2cc(CNC(=O)c3ccn(C)n3)nn2)C1 1094338217 BRXZWCTZIPOPKN-UHFFFAOYSA-N 313.365 -0.178 30 20 DBED CNC(=O)NCC(=O)N1CC[C@@H](Nc2ccc(C#N)cn2)C1 1095084882 DQGYRZKLBCETSL-LLVKDONJSA-N 302.338 -0.105 30 20 DBED N#Cc1cncc(N2CCC(NC(=O)C3(C(N)=O)CC3)CC2)n1 1095444655 XGGCXQLBSNOHDO-UHFFFAOYSA-N 314.349 -0.301 30 20 DBED COC(=O)NCC(=O)NCCCN(C)c1cnc(C#N)cn1 1095483812 FRWAICBNGVSKSL-UHFFFAOYSA-N 306.326 -0.353 30 20 DBED COC[C@@H](OC)C(=O)N[C@@H]1CCN(c2nccnc2C#N)C1 1096481999 FWFLDSBYJWWMFB-ZYHUDNBSSA-N 305.338 -0.295 30 20 DBED C=C(C)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1CCNC(=O)C1 1097640969 WYNNXPLBBOGQST-MCIONIFRSA-N 306.410 -0.284 30 20 DBED C[C@H](CNC(=O)c1cc(=O)n(C)o1)N=c1cc[nH]c(C#N)n1 1097781877 FFHWTIXUYMHUSM-MRVPVSSYSA-N 302.294 -0.708 30 20 DBED C[C@H](CNC(=O)C[C@H]1CCNC1=O)N=c1cc[nH]cc1C#N 1098098196 VRODWDZKOFJULK-GHMZBOCLSA-N 301.350 -0.182 30 20 DBED C[C@@H](CNC(=O)CCc1cnn(C)n1)N=c1cc[nH]c(C#N)n1 1098262433 GKRQODCFOGQTQF-JTQLQIEISA-N 314.353 -0.552 30 20 DBED O=C(C#CC1CC1)N1CCC(N(CCO)CCOCCO)CC1 1098364535 ZIKLZRCPTKKZRY-UHFFFAOYSA-N 324.421 -0.306 30 20 DBED C#CCCN(CCO)C1CCN(C(=O)C2(C(=O)NC)CC2)CC1 1098500339 WCUWCYJVNQTVGA-UHFFFAOYSA-N 321.421 -0.179 30 20 DBED C=CCNC(=O)[C@@H](C)NCc1cn([C@@H]2CCN(C(C)=O)C2)nn1 1098591467 HRLRJTDRZATZEF-BXUZGUMPSA-N 320.397 -0.148 30 20 DBED CC#CCNCc1cn([C@H]2CCN(C(=O)c3cnon3)C2)nn1 1098751196 JGWHCFBJONWYMO-LBPRGKRZSA-N 315.337 -0.139 30 20 DBED CCc1nc(C#N)cc(N[C@@H](C)CCNC(=O)CNC(N)=O)n1 1098782491 TXZLXPWBGMTQOG-VIFPVBQESA-N 319.369 -0.114 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)CCCC(C)=O)[C@@H](O)C1 1099673305 WBYHBZPESVPJPU-KGLIPLIRSA-N 323.393 -0.954 30 20 DBED C#CCN1CC[C@@H](NC(=O)COCc2ncc(C)o2)[C@H](O)C1 1099914017 QBUATSWQNCNBAA-CHWSQXEVSA-N 307.350 -0.316 30 20 DBED C[C@H]1C[C@@H](C(=O)NCCN(C)c2ccc(C#N)nn2)CC(=O)N1 1100211597 SXUXNYJIACHFKN-WDEREUQCSA-N 316.365 -0.185 30 20 DBED C#Cc1cncc(C(=O)NCCN(C)c2ccc3nnnn3n2)c1 1100315687 ZVNUBZHUTGNNIC-UHFFFAOYSA-N 322.332 -0.238 30 20 DBED CCN(CCNC(=O)[C@@H]1CNC(=O)N1)c1ccc(C#N)cn1 1100698871 PGSKEYIZXALQCN-NSHDSACASA-N 302.338 -0.423 30 20 DBED CC#CCNC1CC(CNC(=O)CC[C@H]2NC(=O)NC2=O)C1 1100959238 PDBHSRLSZBOOIP-HTAVTVPLSA-N 306.366 -0.518 30 20 DBED COC[C@H](OC)C(=O)NC[C@@H]1CCN(c2cncc(C#N)n2)C1 1101051101 UERSHRZJBOTUFC-AAEUAGOBSA-N 319.365 -0.048 30 20 DBED Cc1cc(C#N)nc(N2CC[C@H](CCNC(=O)CC(N)=O)C2)n1 1102308551 QHHVQZSHRGPEBH-NSHDSACASA-N 316.365 -0.135 30 20 DBED COCCOCC(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(C#N)cn1 1102541080 XCIAZUGHQAJQSZ-STQMWFEESA-N 317.349 -0.199 30 20 DBED C=CCN1C[C@@H](C)[C@H](CNC(=O)CC[C@@H]2NC(=O)NC2=O)C1 1102563162 MBKDJRZEDWKXRF-UTUOFQBUSA-N 308.382 -0.155 30 20 DBED CC[C@H](CNC(=O)Cc1n[nH]c(C)n1)N=c1cc[nH]c(C#N)n1 1103054881 MLUZXDNDGWOKOH-SNVBAGLBSA-N 314.353 -0.254 30 20 DBED C[C@@H](CNC(=O)[C@@H]1COCCN1C)CNc1cncc(C#N)n1 1103922346 ACBBZWHPUDWBEZ-YPMHNXCESA-N 318.381 -0.157 30 20 DBED CCC(=O)N[C@@H](C)C(=O)NC[C@H](C)CN=c1cc[nH]c(C#N)n1 1104247973 QSKQFNHJLZQWNP-MNOVXSKESA-N 318.381 -0.151 30 20 DBED C#CCNCc1cn(C2CN(C(=O)C(C)(C)NC(C)=O)C2)nn1 1105343904 BQXPMGWUEUFIFD-UHFFFAOYSA-N 318.381 -0.701 30 20 DBED C=CCNCc1cn(C2CN(C(=O)[C@@H]3CCC(=O)N3)C2)nn1 1105362691 IOLRSHFGGXRXFV-LBPRGKRZSA-N 304.354 -0.784 30 20 DBED CCC(=O)N1CCC(OC2CN(CC(=O)NCC#N)C2)CC1 1105679835 HYAIVLLRERWQCN-UHFFFAOYSA-N 308.382 -0.272 30 20 DBED N#Cc1nccnc1NC[C@@H](O)CNC(=O)C1=COCCO1 1105715098 LRNKZFRRMAVDCU-SECBINFHSA-N 305.294 -0.875 30 20 DBED CC(C)(C)C(=O)C(=O)NC[C@@H](O)CNc1nccnc1C#N 1105766450 ZQQCLDFPBQSQAX-VIFPVBQESA-N 305.338 -0.148 30 20 DBED N#Cc1cnc(NC[C@H](O)CNC(=O)[C@@H]2COCCO2)c(F)c1 1105780453 RWJRCTOLECEBGC-JQWIXIFHSA-N 324.312 -0.603 30 20 DBED CC[C@H](C(=O)NC[C@H](O)CNc1cncc(C#N)n1)N(C)C 1105925907 JCJLXBKPKKITJV-VXGBXAGGSA-N 306.370 -0.423 30 20 DBED CC[C@H](NC(C)=O)C(=O)NC[C@@H](O)CNc1ncccc1C#N 1106124122 WYPMRVZHQNJQDG-STQMWFEESA-N 319.365 -0.243 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H](C)CCNc1nccn2nnnc12 1106441712 DOWSBUVKLHEVIY-MNOVXSKESA-N 317.353 -0.136 30 20 DBED CNC(=O)NC(C)(C)C(=O)N[C@H](C)CNc1cnc(C#N)cn1 1107800129 GMUIGQAIDYWCSQ-SECBINFHSA-N 319.369 -0.028 30 20 DBED COCC(=O)N(C)CC(=O)N[C@H](C)CNc1cncc(C#N)n1 1108174220 OVCGZCADVHZGNF-SNVBAGLBSA-N 320.353 -0.630 30 20 DBED C=CCCC(=O)N[C@H]1CC(=O)N(C2CN([C@H](C)C(N)=O)C2)C1 1108517652 LCEAWNNTMFZKOA-MNOVXSKESA-N 308.382 -0.772 30 20 DBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cnn[nH]1 1109479836 HWUWIZCZEUXGFD-SCVCMEIPSA-N 304.354 -0.558 30 20 DBED N#Cc1nccc(NC2(CNC(=O)[C@@H]3COC(=O)N3)CCC2)n1 1111803447 BUZJSVHEFAOONC-VIFPVBQESA-N 316.321 -0.093 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(c2ncc(F)cn2)C[C@H]1O 1112702414 RHBQOSOOEZPHGH-ZYHUDNBSSA-N 310.329 -0.268 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)Cc2cncnc2)CC1 1112799503 LAUWBBOOTOBANQ-UHFFFAOYSA-N 303.366 -0.535 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCN(CCN2CCCC2=O)CC1 1112841669 HQHDUFQRVIGQAS-AWEZNQCLSA-N 307.394 -0.209 30 20 DBED CNC(=O)NCC(=O)NC1CC(CNc2cnc(C#N)cn2)C1 1112874270 UWSNFOYRSMXFPC-UHFFFAOYSA-N 317.353 -0.416 30 20 DBED C[C@H](NC(=O)CS(C)(=O)=O)[C@@H](C)Nc1ccc(C#N)nn1 1112925409 FMCOIWGHZGWRQP-BDAKNGLRSA-N 311.367 -0.302 30 20 DBED Cc1cc(C#N)nc(N(C)[C@H](C)CNC(=O)Cn2cnnn2)n1 1113487803 UACASYBQVZBQCC-SNVBAGLBSA-N 315.341 -0.716 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CCCNC1=O)N(C)c1cnc(C#N)cn1 1113744920 RWYOTGNGKRVQNO-CMPLNLGQSA-N 316.365 -0.185 30 20 DBED C=CCNC(=O)NC(=O)CN1C[C@@H]2C(NC(=O)C3CCC3)[C@H]2C1 1113765511 VHGFRWBNGHCIMB-RYUDHWBXSA-N 320.393 -0.155 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)c3cccnc3)[C@H]2C1 1113777063 CYTBUEWDXMYUMY-UBHSHLNASA-N 312.373 -0.121 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)c3cscn3)[C@H]2C1 1114012713 JZKAFRZKZDRLDO-MEWQQHAOSA-N 318.402 -0.059 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)c3cc[nH]c3C)[C@@H]2C1 1114109278 TUWHQMANUUGNHX-CHWSQXEVSA-N 300.362 -0.267 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)[C@@H]3COCCN3C)[C@H]2C1 1114146771 HXTZMVMXSXGHEL-LJISPDSOSA-N 307.394 -0.987 30 20 DBED C#CCOCCC(=O)NC1[C@H]2CN(CC(=O)NC(C)C)C[C@H]12 1114265815 JMDIIVWIKMKIMD-STQMWFEESA-N 307.394 -0.403 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)CCCn3ccnn3)[C@@H]2C1 1114398131 AEPBWLYGYUKYLK-ZIAGYGMSSA-N 317.393 -0.246 30 20 DBED N#Cc1cccnc1N1C[C@@H]2C(CNC(=O)Cn3cnnn3)[C@H]2C1 1114508709 PMPYPAADPWGXMD-CHWSQXEVSA-N 324.348 -0.562 30 20 DBED CC#CCCCC(=O)N[C@H]1[C@@H]2CN(Cc3nnn(C)n3)C[C@@H]21 1114710257 ASXUIWRUUFQNSX-JYAVWHMHSA-N 302.382 -0.050 30 20 DBED C=C(Cl)CN1C[C@H]2C(NC(=O)[C@H](C)NS(C)(=O)=O)[C@@H]2C1 1114888622 KWWYZTQRUSBFRU-IVZWLZJFSA-N 321.830 -0.277 30 20 DBED C[C@@H](CCCN=c1cc[nH]c(C#N)n1)NC(=O)c1cnnn1C 1114900304 LPHCMTURBSBBLU-JTQLQIEISA-N 314.353 -0.091 30 20 DBED CN(C)CCCCC(=O)NC1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]12 1115145440 HIEVPOQYWPJZOH-CHWSQXEVSA-N 321.425 -0.596 30 20 DBED C[C@H](CN(C)C(=O)[C@@H]1CCC(=O)N1)N=c1cc[nH]c(C#N)n1 1115787385 AIOHIHWJCXGQMP-ZJUUUORDSA-N 302.338 -0.692 30 20 DBED C=C[C@H](COC)NC(=O)NCCNS(=O)(=O)NC(C)C 1116782458 SPMCIKXZCXUQKC-SNVBAGLBSA-N 308.404 -0.681 30 20 DBED C[C@@H](CN(C)C(=O)C[C@H]1CCNC1=O)N=c1cc[nH]c(C#N)n1 1120192643 HFNYLIZJLXKHHY-WDEREUQCSA-N 316.365 -0.445 30 20 DBED C#CCN(C(=O)C(=O)N1C[C@H](O)C[C@@H](C(=O)OC)C1)C(C)C 1120497700 KEDGQOZZZAJIPX-VXGBXAGGSA-N 310.350 -0.761 30 20 DBED N#Cc1cncc(N[C@H](CO)CNC(=O)c2cc[n+]([O-])cc2)n1 1121010314 NBEPNTKQSNEIAF-LBPRGKRZSA-N 314.305 -0.816 30 20 DBED Cc1cc(C#N)nc(N[C@H](CO)CNC(=O)[C@@H]2CCOC2)n1 1121171699 JWRSJONDKMOVBU-PWSUYJOCSA-N 305.338 -0.418 30 20 DBED CCn1cc(C(=O)NC[C@H](CO)Nc2ccc(C#N)nn2)cn1 1121228774 NJJPAFYVNNEQGA-GFCCVEGCSA-N 315.337 -0.233 30 20 DBED N#Cc1nc(=N[C@@H](CO)CNC(=O)c2cncc(F)c2)cc[nH]1 1121302942 JNWADRLNJPZGKS-LLVKDONJSA-N 316.296 -0.493 30 20 DBED Cc1nccn1CC(=O)NC[C@@H](CO)Nc1nccnc1C#N 1121598076 CJZULTBGTBXUFL-NSHDSACASA-N 315.337 -0.558 30 20 DBED C[C@]1(C(=O)NC[C@H](CO)N=c2cc[nH]c(C#N)n2)CCOC1 1121914607 PNJMHCYKHDIDFE-YGRLFVJLSA-N 305.338 -0.914 30 20 DBED CN(C)[C@@H](C(=O)NC[C@@H](CO)Nc1cnc(C#N)cn1)C1CC1 1122154528 YZWIPIBZUXOXJB-GXTWGEPZSA-N 318.381 -0.423 30 20 DBED Cc1cc(=N[C@H](CO)CNC(=O)[C@@H]2[C@H]3COC[C@H]32)c(C#N)c[nH]1 1122371380 AJGGHOMCRRKRTE-RMRHIDDWSA-N 316.361 -0.535 30 20 DBED C[C@@H]1[C@H](NC(=O)CC(N)=O)CCCN1c1ccnc(C#N)n1 1123522760 MZYROGIMCOWJPS-NXEZZACHSA-N 302.338 -0.303 30 20 DBED CN(C[C@H](O)CNc1nccnc1C#N)C(=O)c1cnccn1 1124045695 IJEQKXTZBQMYJG-SNVBAGLBSA-N 313.321 -0.317 30 20 DBED CC(=O)N[C@@H](C)C(=O)N(C)C[C@H](O)CN=c1cc[nH]cc1C#N 1124059618 KBGNQKFCJLJIDI-GXFFZTMASA-N 319.365 -0.869 30 20 DBED C[C@H](C#N)C(=O)N(C)C[C@@H](O)CN(C)c1ccc(C#N)nn1 1124988335 IWOXMXXQCCWUQQ-PWSUYJOCSA-N 302.338 -0.237 30 20 DBED C#CCCCC(=O)NCCN[C@H](C)C(=O)NC(=O)NCC=C 1126356392 NHZHXPBDFOIDAQ-GFCCVEGCSA-N 308.382 -0.104 30 20 DBED Cn1nc2c(c1C(=O)NCCNCC(=O)NCC#N)CCCC2 1128315702 WINRHNZZCPUTPU-UHFFFAOYSA-N 318.381 -0.742 30 20 DBED CCCC(=O)NCC(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1 1128786072 VMDADSXTHGMIJT-NEPJUHHUSA-N 319.369 -0.941 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CN(CCOC)C[C@@H]1n1ccnn1 1129482391 VMICWLWGTQQFAJ-MJBXVCDLSA-N 323.397 -0.143 30 20 DBED C=CCN[C@@H]1CN(C(=O)CCCC(=O)NC)C[C@@H]1n1ccnn1 1129798390 SVPSUGAENMBBJG-OLZOCXBDSA-N 320.397 -0.278 30 20 DBED C#CCCCC(=O)N1C[C@H](n2ccnn2)[C@H](N[C@@H](C)C(N)=O)C1 1129834262 SGVGROPHXIJHKT-XQQFMLRXSA-N 318.381 -0.703 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1c(C)nc2sccn12 1130238856 SQOKPBBGRNQYHR-UHFFFAOYSA-N 319.390 -0.227 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1ccn2cncc2c1 1130874924 UPFBTUKMYKIQIU-LBPRGKRZSA-N 313.361 -0.208 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)COCCC=C)CC1 1131399770 ZMXLLCYQEACNHI-UHFFFAOYSA-N 307.394 -0.137 30 20 DBED C#CCCN1CC[C@]2(C1)CN(C(=O)CNC(C)=O)C[C@@H](C)O2 1131625511 VGGJHAIQGHDQRG-CJNGLKHVSA-N 307.394 -0.162 30 20 DBED C=C(C)CN(CC)C(=O)[C@@H](C)NCCNC(=O)[C@H]1CCNC1=O 1132377617 YCYVEYXJHLYWLL-OLZOCXBDSA-N 324.425 -0.359 30 20 DBED C#CCCNC[C@H]1CN(C(=O)c2nnc(O)nc2O)CC[C@@H]1C 1132953444 FPEWSUBOHIZFEF-QWRGUYRKSA-N 319.365 -0.006 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)c1ccoc1CC(N)=O 1132958841 XAPPEKZLDMTTEG-JTQLQIEISA-N 322.365 -0.683 30 20 DBED C=CCCC1(C(=O)NCCNCC(=O)N2CCNC(=O)C2)CC1 1133375933 OXKGNQRUGZTMJZ-UHFFFAOYSA-N 322.409 -0.603 30 20 DBED C=CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)c1nnn(C)c1C 1133995187 XPACEKOVQHSDRX-QWRGUYRKSA-N 322.413 -0.088 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)c1cnn(C)c1N 1134152450 OKVKJNPOPXDTLP-WDEREUQCSA-N 320.397 -0.762 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1c(C)nn(C)c1OC 1134600591 XZZQCRJQLNBVEO-NSHDSACASA-N 321.381 -0.806 30 20 DBED C#CCN[C@@H](C)C[C@@H](C)NC(=O)CCCn1c(O)nnc1O 1134784391 SYVUOIIYKACBDC-WDEREUQCSA-N 309.370 -0.024 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)CCN(C)CC 1135858506 YVHYTLGLMRDYRX-ZIAGYGMSSA-N 310.442 -0.050 30 20 DBED CC#CCN[C@H](C)C[C@H](C)NC(=O)CN1CCC(=O)NC1=O 1135894130 XWWSUXJIEQUSHW-NEPJUHHUSA-N 308.382 -0.176 30 20 DBED C#CCNC(=O)CNCCNC(=O)CCCc1ccccn1 1148591711 DWBKIDSJHWJMIZ-UHFFFAOYSA-N 302.378 -0.141 30 20 DBED COCC#CCN1CCCO[C@H](CNC(=O)[C@H]2CCC(=O)N2)C1 1149400734 XOWASFXWPCDOLP-ZIAGYGMSSA-N 323.393 -0.878 30 20 DBED C#CCCN1CCCO[C@H](CNC(=O)CN2CCOCC2=O)C1 1149854172 HLYLQQSWMHEGMI-CQSZACIVSA-N 323.393 -0.924 30 20 DBED C#CCCN1CCCO[C@@H](CNC(=O)CCc2cn(C)nn2)C1 1150841197 FPKXCMSRDYWFMS-HNNXBMFYSA-N 319.409 -0.022 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)c1cccnc1C(N)=O 1151967237 MMXMISAVMGMLSV-SNVBAGLBSA-N 319.365 -0.809 30 20 DBED N#Cc1ccc(CNCCCNC(=O)CNC(N)=O)c(F)c1 1154458156 VUUGKYFTLAXLLC-UHFFFAOYSA-N 307.329 -0.038 30 20 DBED C=CCOCC(=O)NCCCNCCCS(=O)(=O)N(C)C 1155712298 KYHHJHJQPNMYMZ-UHFFFAOYSA-N 321.443 -0.434 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)c2cn(C)cn2)C1=O 1156564926 ZSHVYLYAXALRDE-GFCCVEGCSA-N 305.382 -0.084 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)CCn1ccnn1 1157122224 AEJSFVJEAOAAFV-LBPRGKRZSA-N 308.386 -0.545 30 20 DBED COCC#CCN1CC=C(CCNC(=O)[C@H]2C[C@H]2C(N)=O)CC1 1161230665 FRPUWPNRLYHNRI-CABCVRRESA-N 319.405 -0.104 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)NCCCN[C@H](C)C(=O)NC 1167677997 NVKDGGTWOWSVQW-DGCLKSJQSA-N 312.414 -0.312 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)Cc2nc[nH]n2)[C@H]1C 1179895338 NGXCCLOLBPOPEH-SRVKXCTJSA-N 318.381 -0.936 30 20 DBED C#CCCN[C@@H]1CCN(C(=O)[C@@H]2CCc3nnnn3CC2)C1 1185775832 LKIYMEPOWADSOO-CHWSQXEVSA-N 302.382 -0.161 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H](C)OCCOC)C1 1186058968 FKNXSJOJCVSZKH-CHWSQXEVSA-N 313.398 -0.469 30 20 DBED Cc1n[nH]c(C)c1C(=O)N1CC[C@@H](NCC(=O)NCC#N)C1 1186376392 DKTNRSXWWXNQMK-LLVKDONJSA-N 304.354 -0.530 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CN(Cc3nc(O)n[nH]3)C[C@H]21 1187882230 LHKYGJJESVWCEI-SDDRHHMPSA-N 319.365 -0.419 30 20 DBED C#CCCN1C[C@@H]2CCN(C(=O)COCc3ncnn3C)[C@@H]2C1 1189612323 QCFPAIGLGNKQPK-UONOGXRCSA-N 317.393 -0.112 30 20 DBED N#CCN1C[C@@H]2CCN(C(=O)CCNC(=O)[C@@H]3CCCO3)[C@@H]2C1 1190494301 JBJXJGVWBBQOFX-MJBXVCDLSA-N 320.393 -0.272 30 20 DBED C=CCCO[C@H](C)C(=O)N[C@@H]1CN(Cc2cn(C)nn2)C[C@H]1O 1191615544 YXDHYKHUJSYJFJ-MRVWCRGKSA-N 323.397 -0.542 30 20 DBED C=CCOCC(=O)N[C@@H]1CN([C@@H](C)C(=O)NCCC)C[C@H]1O 1191754671 CAPMUOBRQOYUGF-YNEHKIRRSA-N 313.398 -0.735 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)c2cccc(O)n2)C1 1192012161 HQJFBGFVICLPPD-CHWSQXEVSA-N 305.334 -0.788 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(Cc2ncnn2CC)C[C@H]1O 1192531553 XVPHPBYWYQHSNA-JMSVASOKSA-N 323.397 -0.714 30 20 DBED CCn1c(C)nnc1CN1C[C@@H](O)[C@H](NC(=O)C#CC2CC2)C1 1192770928 UNUYRKWVNRYUEP-ZIAGYGMSSA-N 317.393 -0.319 30 20 DBED C#CCC1(C(=O)N[C@@H]2CN(CC#CCOC)C[C@H]2O)CCC1 1193685849 QDBMYTFGANFYJV-HUUCEWRRSA-N 304.390 -0.009 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C2(C(C)C)CC2)C1 1196045716 LBGCZUUNKNZJHW-CHWSQXEVSA-N 309.410 -0.114 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCCN(C[C@H](O)COC)CC1 1196191908 PPWKDFVKXBHIJS-HOTGVXAUSA-N 323.437 -0.374 30 20 DBED CN(C)C(=O)CNC[C@H]1CN(C(=O)C#CC2CC2)CCCO1 1200452964 PEUXFMQNBLOQBA-AWEZNQCLSA-N 307.394 -0.305 30 20 DBED C[C@H]1CO[C@@H](C(=O)N2CCC(NCC(=O)NCC#N)CC2)C1 1201694972 WGXMIVBDORMWLR-DGCLKSJQSA-N 308.382 -0.368 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCC[C@H](NCC(=O)NCC#N)C1 1207951728 WNNXYXCMFXPVEH-WFASDCNBSA-N 308.382 -0.466 30 20 DBED C=CCOCCN1C[C@@H](NC(=O)[C@H]2CN(C)C(=O)N2)[C@H](C)C1 1208298380 LRYRALZBSOHSIN-JHJVBQTASA-N 310.398 -0.351 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2ccc(C)o2)[C@H](OC)C1 1211795468 OWXWMCFVSGFIFV-TZMCWYRMSA-N 319.361 -0.234 30 20 DBED C#CCCN1C[C@@H](NC(=O)C(C)(C)S(C)(=O)=O)[C@H](OC)C1 1213520748 VRFLBHDSMZDPSR-VXGBXAGGSA-N 316.423 -0.352 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CNC(C)=O)C[C@H]1C 1214063308 GUJOUWMIELQJFP-NQBHXWOUSA-N 310.398 -0.750 30 20 DBED C=C[C@](C)(O)CC(=O)N1C[C@@H](NCCS(C)(=O)=O)[C@H](C)C1 1214520370 GAHMOWFHQXLBQA-BZPMIXESSA-N 318.439 -0.205 30 20 DBED C#CCCN[C@@H]1CN(C(=O)CN(C)S(=O)(=O)CC)C[C@H]1C 1216152853 BUFIASOSRZRCQA-CHWSQXEVSA-N 315.439 -0.272 30 20 DBED CCN(C)C(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H](C)C#N 1217528826 VVPOJDIGCHOKRS-FRRDWIJNSA-N 308.382 -0.464 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)c2cnc(C)cn2)C1 1219123138 ROBCRCVVUYGDIS-KGLIPLIRSA-N 304.350 -0.790 30 20 DBED C=C(C)CCC(=O)N[C@@H]1CN(CCN2C(=O)CNC2=O)C[C@@H]1O 1219718924 VYFLADNZYRYOKY-NEPJUHHUSA-N 324.381 -0.944 30 20 DBED CCn1nnc(C)c1C(=O)N[C@@H]1CN(CC#CCOC)C[C@@H]1O 1219792575 PQLZZVOLZSIXFV-OLZOCXBDSA-N 321.381 -0.969 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)c2cc(C3CC3)on2)C1 1220090578 PZMKOIOMYCKDBU-KGLIPLIRSA-N 319.361 -0.023 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3cnn(C)c3)[C@@H]2C1 1221253576 RXAWULWSVIQSBZ-TZMCWYRMSA-N 315.377 -0.684 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)[C@@H](C)OCC#C)CC1 1223175162 YBESMQCKMREDCN-CQSZACIVSA-N 319.405 -0.398 30 20 DBED C#CCN1CCS(=O)(=O)[C@H](CCNC(=O)c2cn[nH]c2)C1 1230425625 PHBUMHUANSDAHZ-GFCCVEGCSA-N 310.379 -0.738 30 20 DBED CN(C[C@H]1CCN1[C@@H]1CCC(=O)NC1=O)C(=O)CSCC#N 1230814339 BSLXXNXCODUCDV-GHMZBOCLSA-N 324.406 -0.419 30 20 DBED CN(CC(=O)N[C@@]1(C#N)CCSC1)[C@H]1CCS(=O)(=O)C1 1255868447 UIXFZAFGJGUXBK-CMPLNLGQSA-N 317.436 -0.379 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@@H](NC(=O)c2cc(C)[nH]n2)C1 1265273615 SODGBMAWQKBYRG-VXGBXAGGSA-N 303.366 -0.340 30 20 DBED CN1CC[C@@H](OC(=O)CCN/C(O)=C2/N=CC=CC2=O)C1=O 1318679587 WPKXQIYVAHWIOT-JBEXSADBSA-N 307.306 -0.323 30 20 DBED COC(=O)Cn1ncc(NC(=O)C(=O)N[C@H](C)CC#N)c1C 1325045838 MLWLRZSJSLHKCT-MRVPVSSYSA-N 307.310 -0.279 30 20 DBED CC(C)(C)CN(CCO)C(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1326247301 AXHKRFQPXJQXQQ-HNNXBMFYSA-N 311.382 -0.270 30 20 DBED C#CCOCCNC(=O)C(=O)N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1326802018 UVJIHAUTTXQXRL-QWRGUYRKSA-N 318.395 -0.968 30 20 DBED COC[C@]1(CO)CCN(C(=O)C(=O)N2CCC[C@@H](CC#N)C2)C1 1327749721 PNXBUZNFSONVBU-XJKSGUPXSA-N 323.393 -0.004 30 20 DBED CC#CCCNC(=O)C(=O)NCCCN1CCC[C@H](C(N)=O)C1 1328027670 DTZIODZMSLFDIL-ZDUSSCGKSA-N 322.409 -0.780 30 20 DBED C[C@@H](CO)C1CCN(C(=O)C(=O)N2CCO[C@@H](C#N)C2)CC1 1328745249 QAONNIIAZHBKDT-AAEUAGOBSA-N 309.366 -0.396 30 20 DBED CNC(=O)[C@@H](C)CN(C)C(=O)CCN/C(O)=C1/N=CC=CC1=O 1330777121 LWOZGPMDNOELCG-ZSNVJIKNSA-N 322.365 -0.257 30 20 DBED C=CCn1nnnc1N1CCN(C(=O)C(=O)OC(C)(C)C)CC1 1332473890 MIUDTEDNGIYQAH-UHFFFAOYSA-N 322.369 -0.151 30 20 DBED C#CCNCC(=O)NCc1ccc(CN2C(=O)CNC2=O)cc1 1340779610 NILNPPKRCCHYLT-UHFFFAOYSA-N 314.345 -0.423 30 20 DBED C=C(C)CN(CC)C(=O)C(=O)NCCCN1C(=O)CNC1=O 1341956383 ZPUHZTITMQJURF-UHFFFAOYSA-N 310.354 -0.531 30 20 DBED CNC(=O)[C@@H](C#N)C(=O)c1cc(S(=O)(=O)N(C)C)oc1C 1342579944 PVLIPLUZJWNHCN-VIFPVBQESA-N 313.335 -0.093 30 20 DBED C#CC1CCN(C(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC1 1349213615 WTUDEDXIFFLWTD-HUUCEWRRSA-N 319.405 -0.162 30 20 DBED COC[C@H]1CN(C(=O)CCn2cc(C#N)c(O)nc2=O)CCO1 1362168249 XRPVICMWLXREEX-LLVKDONJSA-N 322.321 -0.916 30 20 DBED C[C@@H](C(=O)N[C@@H](CO)Cc1cnn(C)c1)n1cnc(C#N)n1 1363100748 MTUPGUCITZDQOJ-GXSJLCMTSA-N 303.326 -0.836 30 20 DBED C[C@@H]1CN(CC(C)(C)O)CCN1c1[nH]c(=O)n(C)c(=O)c1C#N 1365223565 QCMASJIMTIJOJH-SNVBAGLBSA-N 321.381 -0.773 30 20 DBED CNC(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)C[C@H](C)C#N)C1 1365460665 OXRJDHWQWRWKSZ-GHMZBOCLSA-N 317.415 -0.284 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCCN(C)CC(=O)N1CCOCC1 1368531373 WXHQZRYBDKXZPH-ZDUSSCGKSA-N 310.398 -0.215 30 20 DBED N#Cc1ccc(CNC[C@@H](O)CNC(=O)[C@H]2C[C@H]2C(N)=O)cc1 1374652038 HVXGICYNITUMTE-MCIONIFRSA-N 316.361 -0.754 30 20 DBED CNC(=O)c1cccc(C(=O)N2CC(NC(=O)[C@H](C)C#N)C2)n1 1389405577 HFEQOAGXLCLSKL-SECBINFHSA-N 315.333 -0.459 30 20 DBED Cn1ncc(C(=O)N2CC[C@@](O)(CC#N)C2)c1-n1cnnc1 1413180721 NJLRPDQPLMBTJR-ZDUSSCGKSA-N 301.310 -0.509 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCCN(C(=O)CCNC(N)=O)C2)C1 1443438490 ANHVGQRZINZIQM-LLVKDONJSA-N 321.381 -0.345 30 20 DBED COCCN(CCNC(=O)[C@H](C)C#N)C(=O)c1cn(C)cn1 1488542504 AXQZBYJTXJRSPT-LLVKDONJSA-N 307.354 -0.215 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1C[C@@H](NC(=O)CCc2cnn[nH]2)C1 1489846671 VVKVYIVDUBPOTP-FOGDFJRCSA-N 304.354 -0.092 30 20 DBED C=C(Cl)CN1CCN(CCNC(=O)c2cn(C)nn2)CC1 1490491378 KOKVCWVIVFGMAW-UHFFFAOYSA-N 312.805 -0.085 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(C[C@@H]2CCS(=O)(=O)C2)C1 1494747687 YHPSMBHOLIAZRY-QWHCGFSZSA-N 316.423 -0.186 30 20 DBED CCn1nc(C)c(C(=O)NC[C@H](O)CNC(=O)[C@H](C)C#N)c1C 1533296381 AUMBSKPWKKTQCJ-BXKDBHETSA-N 321.381 -0.114 30 20 DBED C#CCN(C(=O)N[C@@H]1CCc2nnnn2CC1)C1CCNCC1 1574584097 VZDWJOUCNJXMHE-GFCCVEGCSA-N 317.397 -0.225 30 20 DBED COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1CCN 1579026498 XAXHCZIXZDMGLP-LLVKDONJSA-N 321.385 -0.446 30 20 DBED C=CCCn1cc(CNS(=O)(=O)C[C@@H](C)C(=O)O)nn1 1588819743 BDEUDOVWTTZZQP-SECBINFHSA-N 302.356 -0.006 30 20 DBED Cc1cc(NC(=O)Cn2cnc(-c3nn[nH]n3)c2C#N)n(C)n1 1592019694 MTHGYDISAXJXMH-UHFFFAOYSA-N 312.297 -0.385 30 20 DBED Cc1ccn(C[C@](C)(O)C(=O)N(CC#N)CCC(=O)O)c(=O)c1 1600595110 FODDQZCZMDCDIK-HNNXBMFYSA-N 321.333 -0.265 30 20 DBED C#C[C@@H](NS(=O)(=O)N1CCC[C@H]1C(=O)O)[C@@H]1CCCO1 1602671751 FVPPHHQKURJCMX-VWYCJHECSA-N 302.352 -0.449 30 20 DBED C#CC[C@@H](NS(=O)(=O)C[C@@]1(OC(C)C)CCOC1)C(=O)O 1602698745 UAXOVRGYWOSCSI-DGCLKSJQSA-N 319.379 -0.034 30 20 DBED C[C@H](C(=O)N(CC#N)c1ccccn1)n1cnc(-c2nn[nH]n2)n1 1602990651 LZMOWKVOHMXEDW-SECBINFHSA-N 324.308 -0.029 30 20 DBED CN(C)CC#CCNC(=O)N[C@@H]1CCCCN(CC(=O)O)C1=O 1604057881 XTFZFAPSDDLKEJ-GFCCVEGCSA-N 324.381 -0.684 30 20 DBED N#Cc1cccc(CNC(=O)CNC2(C(N)=O)CCOCC2)c1 1647274516 GODXVFHUOHDJEZ-UHFFFAOYSA-N 316.361 -0.201 30 20 DBED COCC#CCNC[C@H]1CCCN1C(=O)[C@@H]1CCNC(=O)C1 1714333727 NAQWCILLIYHCSQ-ZIAGYGMSSA-N 307.394 -0.257 30 20 DBED N#CCNC[C@@H]1CCCN(C(=O)CCc2nnc(O)nc2O)C1 1752801490 NCZQJEGAEWESQC-JTQLQIEISA-N 320.353 -0.433 30 20 DBED C#CCNC(=O)CN1CC(NC(=O)c2ccc(C)nc2O)C1 1753390228 RQXOSOFZPASPBM-UHFFFAOYSA-N 302.334 -0.741 30 20 DBED C#CCOCCC(=O)NCC1CN(CCN2CCCC2=O)C1 1753402710 CCLBHLNJLBZYLK-UHFFFAOYSA-N 307.394 -0.303 30 20 DBED C#CCN[C@@H](CC)CNC(=O)CN1CCCCS1(=O)=O 1753481948 CANFCTPLRJBXLS-LBPRGKRZSA-N 301.412 -0.470 30 20 DBED C=C(C)CNCC1(NC(=O)C[C@H](NC(C)=O)C(N)=O)CCCC1 1753509233 MJIYZYZZEAMXIC-ZDUSSCGKSA-N 324.425 -0.039 30 20 DBED C=C(C)CNC[C@H](C)CNC(=O)c1cn(C)c(=O)n(C)c1=O 1753631935 CQXMSDPXEVVFPF-NSHDSACASA-N 308.382 -0.384 30 20 DBED Cc1cc(C(=O)NC[C@H](NCC(=O)NCC#N)C(C)C)no1 1753824995 RWXMPGNTYIQJQF-LBPRGKRZSA-N 307.354 -0.033 30 20 DBED C=CCOCCN1CC[C@@H]1CNC(=O)c1ccc(=O)n(C)n1 1754502541 KUAXRTQWKVKKMO-GFCCVEGCSA-N 306.366 -0.213 30 20 DBED C=CCNC(=O)CNC1(CNC(=O)c2cncc(OC)n2)CC1 1754527705 QVXRWFJWWNMXOV-UHFFFAOYSA-N 319.365 -0.361 30 20 DBED CN(C(=O)CS(=O)(=O)NC(C)(C)C)C1CN(CC#N)C1 1754587223 GVRVIFRJWIEKFA-UHFFFAOYSA-N 302.400 -0.630 30 20 DBED C[C@H]1CN(C(=O)Cn2cccn2)C[C@H]1CNCC(=O)NCC#N 1754814187 WCTVCGGQPWBASD-QWHCGFSZSA-N 318.381 -0.793 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H](CO)CNC(=O)c1ccccc1 1755620744 BNXLQMKDIHDZTA-JSGCOSHPSA-N 303.362 -0.495 30 20 DBED Cc1ccnc(CN[C@H](CO)CNC(=O)CSCC#N)n1 1755624062 LNXOPCZEQJCIGF-NSHDSACASA-N 309.395 -0.392 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)Cc2nc[nH]n2)[C@H]1C 1755664172 QEDRCKGDVRLDLB-WDEREUQCSA-N 306.370 -0.772 30 20 DBED COCC#CCN1CCC[C@@H](NC(=O)CCn2cnnn2)[C@@H]1C 1755723189 QOQQIMKWUDKOMO-UONOGXRCSA-N 320.397 -0.318 30 20 DBED CC(C)(NS(C)(=O)=O)C(=O)N1C[C@@H](NCC#N)C(C)(C)C1 1755763738 JDHNPFLZHQFWRO-SNVBAGLBSA-N 316.427 -0.336 30 20 DBED CC(C)[C@@H](C)NC(=O)CNC[C@H](O)CN(C)C(=O)C#CC1CC1 1755777442 JZTSYVPHBFDOSJ-HIFRSBDPSA-N 323.437 -0.031 30 20 DBED COCC#CCNC[C@@H](O)CN(C)C(=O)c1cn2c(n1)CCC2 1755779501 LIBRTWWGLHGXCJ-CYBMUJFWSA-N 320.393 -0.498 30 20 DBED C#CCNC[C@H](O)CN(C)C(=O)Cc1n[nH]c2c1CCCC2 1755779752 QADWZLLYXCEZEX-LBPRGKRZSA-N 304.394 -0.127 30 20 DBED CC#CCN1CCC([C@H](C)NC(=O)Cn2ncn(C)c2=O)CC1 1755848961 SFGIDGWUSPAORQ-ZDUSSCGKSA-N 319.409 -0.178 30 20 DBED C#CCOCCC(=O)N[C@H](C)C1CN(C(=O)[C@@H]2CCN(C)C2)C1 1756141666 GULXTXJQZBYUPT-ZIAGYGMSSA-N 321.421 -0.059 30 20 DBED C=CCCC(=O)NCC1[C@H]2CN(C(=O)CCNC(N)=O)C[C@H]12 1756193665 UFWHKNBUKVPPEB-VXGBXAGGSA-N 308.382 -0.168 30 20 DBED C=CC(C)(C)C(=O)NC[C@H](CO)NC(=O)[C@@H]1CCC(=O)N1C 1756540434 MNRREYAGIHRSPU-MNOVXSKESA-N 311.382 -0.587 30 20 DBED C[C@H]1C[C@H](NC(=O)C2(NC(N)=O)CC2)CN1C(=O)C#CC1CC1 1756588150 OBGDMFBRLBIZLF-JQWIXIFHSA-N 318.377 -0.294 30 20 DBED CCN(CC)CC(=O)NC[C@H](O)CN(C)C(=O)C#CC1CC1 1756662408 LHQWMRCNFALFKC-AWEZNQCLSA-N 309.410 -0.323 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H](O)CN(C)C(=O)c1ccnnc1 1756680447 LIBRVQBNRWCQQJ-WCQYABFASA-N 320.349 -0.936 30 20 DBED C#CCOCCC(=O)NC1CC(N(C)C(=O)[C@H](C)NC(N)=O)C1 1756738390 ZYNGGZQZZUVCFU-UNXYVOJBSA-N 324.381 -0.811 30 20 DBED CC(C)(C)OC(=O)CS(=O)(=O)CCN1CC(O)(CC#N)C1 1771737024 PEKNGJKJKQHWEE-UHFFFAOYSA-N 318.395 -0.297 30 20 DBED CN1CC(C(=O)N2CC[C@]3(CN(C(=O)CC#N)CCO3)C2)C1 1784780532 PVOUDQJBGODVJC-HNNXBMFYSA-N 306.366 -0.708 30 20 DBED N#CCC(=O)N1CC2(CCCN2C(=O)c2cnc(O)nc2O)C1 1843352176 UCUIWCQQLYBRCF-UHFFFAOYSA-N 317.305 -0.382 30 20 DBED COC(=O)C[C@H]1C(=O)NCCN1C(=O)c1ccc(C#N)c(C)n1 25030467 VCXIDTRWZIAYPR-LBPRGKRZSA-N 316.317 -0.235 30 20 DBED Cn1cc(C#N)c(=O)n(C[C@@H](O)COc2ccc(F)cc2)c1=O 73649570 JVEIZRUIRZESQO-GFCCVEGCSA-N 319.292 -0.002 30 20 DBED N#Cc1cc(C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)c[nH]1 181223170 ZFLWNAPJIQUKOJ-UHFFFAOYSA-N 315.333 -0.551 30 20 DBED C=CCNC(=O)CNC(=O)CCn1nc2ccccn2c1=O 181643946 JIVCJDQEQMGGQS-UHFFFAOYSA-N 303.322 -0.696 30 20 DBED CNC(=O)[C@H](NC(=O)CN1CCOC[C@H]1C#N)c1ccccc1 246222948 LRYAJGBLKCFKGQ-UKRRQHHQSA-N 316.361 -0.186 30 20 DBED CC(=O)NC(C)(C)/C(N)=N/OCC(=O)Nc1cc(C)nn1C 267873376 LAQRRULMIILHGT-UHFFFAOYSA-N 310.358 -0.129 30 20 DBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H]1COCCO1 268394273 QJUVBESAUFAECV-WCQYABFASA-N 317.349 -0.199 30 20 DBED C#CCNC(=O)c1ccc(NCCCN2CCNC(=O)C2)nc1 278816527 SSSQQZYJGPAZPO-UHFFFAOYSA-N 315.377 -0.322 30 20 DBED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CC[C@H](O)C2)cc1 291374047 VALUBRDISLOCTR-NSHDSACASA-N 309.347 -0.570 30 20 DBED CCN1CCC[C@@H]1CN/C(N)=N/CCCNS(=O)(=O)CC 303971848 FETVHNNYRLYBHS-GFCCVEGCSA-N 319.475 -0.296 30 20 DBED CN(C)C(=O)Cn1nc2n(c1=O)CCN([C@H]1CC[C@H](C#N)C1)C2 328841348 OSGDAUCWNKOPFM-RYUDHWBXSA-N 318.381 -0.359 30 20 DBED COc1ncncc1N=C(O)N1CC[C@@]2(C1)N=C(O)N(C)C2=O 329501098 YOBYARHPELDWEQ-ZDUSSCGKSA-N 320.309 -0.139 30 20 DBED C[C@@H](CN1CCCC1=O)/N=C(/O)N1C[C@H]2[C@@H](C1)OCCN2C 329618027 QHGVUOLXVAVGLS-RWMBFGLXSA-N 310.398 -0.074 30 20 DBED CCCN1CCC(N/C(O)=N/CCS(=O)(=O)NC)CC1 331269311 SWLFEBDJIGGBJS-UHFFFAOYSA-N 306.432 -0.086 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(C)[C@@H]2CCSC2)C1=O 339582389 TZKDVKPDTQOJLD-SECBINFHSA-N 311.363 -0.073 30 20 DBED C=CC[C@H](CO)CNC(=O)CCn1cc(S(N)(=O)=O)cn1 342183695 QTMHAFJUJNNZCB-JTQLQIEISA-N 316.383 -0.779 30 20 DBED COC(=O)CN(CC#N)C(=O)Cc1ccc(-n2cnnn2)cc1 348802031 MLSUELCRKAEYRG-UHFFFAOYSA-N 314.305 -0.270 30 20 DBED Cc1c(NC(=O)C(=O)NCC(=O)NCC#N)cccc1[N+](=O)[O-] 357310398 ONUXFXJCBQFSHP-UHFFFAOYSA-N 319.277 -0.402 30 20 DBED CC[C@](C)(O)CNC(=O)C(=O)Nc1nn(C(C)C)cc1C#N 359137093 DUGJMZNAEMTSPI-AWEZNQCLSA-N 307.354 0.551 30 20 DBED N#Cc1ccc(NCC(=O)N[C@@H](CO)C2CCOCC2)nc1 360740666 UKNXKBBTTHAPFW-ZDUSSCGKSA-N 304.350 0.269 30 20 DBED CC(C)[C@H]1C(=O)NCCN1S(=O)(=O)N(C)[C@@H](C)CC#N 407975714 RCNWABPHBLVNNU-QWRGUYRKSA-N 302.400 -0.078 30 20 DBED N#C[C@@H]1COCCN1S(=O)(=O)CCCN1CCOCC1 408242352 SRUFXVNOFYQJSA-GFCCVEGCSA-N 303.384 -0.737 30 20 DBED CC[C@@]1(O)CCN(C(=O)C(=O)Nc2cc(C)n(CCC#N)n2)C1 427307419 HMBOJZKSOYSTKY-OAHLLOKOSA-N 319.365 0.417 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H]2CCO)C1=O 428587289 XBVXSFHXPJDXGD-SNVBAGLBSA-N 309.322 -0.663 30 20 DBED COc1ccc(C#N)cc1NC(=O)C(=O)N(C)[C@H]1CCNC1=O 442256697 METPFDJOXMYDGQ-NSHDSACASA-N 316.317 -0.148 30 20 DBED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)CC(N)=O)cc1 491675173 TXVJNBJMJPRZDB-SNVBAGLBSA-N 323.374 -0.408 30 20 DBED C#CCN1CCN(C(=O)CN2C[C@H]3[C@H]4C=C[C@@H](O4)[C@H]3C2)CC1 491782860 MVIJYHHSTDXORW-QKPAOTATSA-N 301.390 -0.351 30 20 DBED CC(C)(C#N)NC(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 540972721 DPVGYAJUCYBUDH-LSKIRQOJSA-N 305.334 -0.043 30 20 DBED C[C@H]1CCN(C(=O)NCCn2cnc(C#N)n2)C[C@H]1C(=O)O 577488969 LALCJYJPZZVZHB-VHSXEESVSA-N 306.326 -0.098 30 20 DBED N#CCNC(=O)CNCCS(=O)(=O)c1ccc(C#N)cc1 591767661 UILLWJMTVJSVGV-UHFFFAOYSA-N 306.347 -0.439 30 20 DBED CC(=O)NCCN[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1=O 593920002 DPNUFGPLHVOHCA-ZDUSSCGKSA-N 300.318 -0.084 30 20 DBED CN(CC(C)(C)CO)C(=O)C(=O)N1CCN(CCC#N)CC1 601532441 KIYTVRNTEPGMQW-UHFFFAOYSA-N 310.398 -0.479 30 20 DBED C[C@]1(CN)CCN(C(=O)C(=O)N2CCN(CCC#N)CC2)C1 601582066 JXSZUMQICXFGDE-OAHLLOKOSA-N 307.398 -0.758 30 20 DBED C=C[C@](C)(O)C(=O)NCCOCCN(C)C(=O)[C@@](C)(O)C=C 619326296 OYOORRQFOHOGTH-GJZGRUSLSA-N 314.382 -0.548 30 20 DBED CC#CC[C@H](CO)NS(=O)(=O)CCCN1CCOCC1 645883693 HKHCZAZVMGDKRZ-CYBMUJFWSA-N 304.412 -0.598 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@H](CC)OC[C@@H]2C)C1=O 650480710 HSXAVCBTYRRSKQ-QWRGUYRKSA-N 323.349 -0.011 30 20 DBED O=C(NCC#CCO)c1cnc2c(c1)c(O)nc(=O)n2C1CC1 655058056 OLEZZUODNVFQKK-UHFFFAOYSA-N 314.301 -0.443 30 20 DBED COC[C@@H](C)NC(=O)NC(=O)COC(=O)c1ccc(C#N)cn1 730892252 KCEITXQZVHTWIC-SECBINFHSA-N 320.305 -0.029 30 20 DBED C#CCCNC(=O)C(=O)Nc1ccc(C(=O)NCC(=O)O)cc1 736076497 HRSFTOPQDVKCDS-UHFFFAOYSA-N 317.301 -0.421 30 20 DBED C#CCOCCNC(=O)Nc1cnn(CC(=O)NC2CC2)c1 752672486 NSMQSDFFHHRVEK-UHFFFAOYSA-N 305.338 -0.067 30 20 DBED CN(CCC#N)S(=O)(=O)N(CCS(C)(=O)=O)C1CC1 753845031 LFPAFQULOUAOOF-UHFFFAOYSA-N 309.413 -0.414 30 20 DBED CC(=O)NCC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 757595338 SIPKNXHLIUFJKV-QWRGUYRKSA-N 310.354 -0.002 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@H](C)NC(=O)OC 761525676 LAPOZTJJUIUBMZ-JGVFFNPUSA-N 301.299 -0.326 30 20 DBED C#CCOCCNC(=O)[C@H](CCSC)NS(=O)(=O)CC 784591177 FRBQVTIESYFLOH-NSHDSACASA-N 322.452 -0.187 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)CCCCNC(N)=O 785570578 AVQSJVHMFTYFCI-SECBINFHSA-N 314.342 -0.232 30 20 DBED CC1([C@H]2CCCN(C(=O)NCC(=O)NCC#N)C2)OCCO1 807553609 VDDDGOCINLDCBZ-NSHDSACASA-N 310.354 -0.189 30 20 DBED C=C[C@@H](O)C(=O)OCC(=O)N1CCN(c2cnccn2)CC1 814550285 RNPBCPSHDDHRDH-LLVKDONJSA-N 306.322 -0.785 30 20 DBED C#CC[C@@H](CO)NC(=O)c1cnc2c(c1)c(O)nc(=O)n2C 820064783 LWIMLBMQZRXPHT-VIFPVBQESA-N 302.290 -0.852 30 20 DBED CC1CC(C#N)(C(=O)NN2C(=O)[C@H]3[C@H]4C=C[C@@H](O4)[C@@H]3C2=O)C1 828668017 CPMBFXVPKUGJAR-OYGBXINVSA-N 301.302 -0.104 30 20 DBED C#CCN1CCC[C@H](NC(=O)C[C@]2(C)CCS(=O)(=O)N2)C1 829582434 MHZRIVHSANVGDM-JSGCOSHPSA-N 313.423 -0.328 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](C)C(C)C)CC1 831560490 AJKBZNJYTAJIKY-LBPRGKRZSA-N 301.412 -0.110 30 20 DBED N#Cc1cc(C(=O)O)cn(CCN2CCCS2(=O)=O)c1=O 833069155 VYKGAKRMWBZYSG-UHFFFAOYSA-N 311.319 -0.546 30 20 DBED CS(=O)(=O)Nc1cccc(C(=O)N[C@H]2CNC[C@H]2C#N)c1 834516778 LWZVGJVDWCKBLF-PWSUYJOCSA-N 308.363 -0.101 30 20 DBED C#CC[C@@H](NS(=O)(=O)CC1(C(=O)OC)CCC1)C(=O)OC 841539392 JVZCYEWICFNTJQ-SNVBAGLBSA-N 317.363 -0.186 30 20 DBED C=CCn1cc(C(=O)NS(=O)(=O)CCOCCOC)nn1 842740222 OCOSANXUBHTJMU-UHFFFAOYSA-N 318.355 -0.813 30 20 DBED C#C[C@@H](NC(=O)Cn1nc2n(c1=O)CCCC2)[C@@H]1CCCO1 844485966 SCCOLZONSPAQPR-NEPJUHHUSA-N 304.350 -0.322 30 20 DBED C#CCNS(=O)(=O)N1CCN(c2cc(C)nc(C)n2)CC1 872633784 MQWLRUYYHLWKRQ-UHFFFAOYSA-N 309.395 -0.317 30 20 DBED C#CCC[C@H](O)CNC(=O)C(=O)Nc1cncc(N(C)C)c1 873866946 KXAVSMDGVXPBNN-ZDUSSCGKSA-N 304.350 -0.023 30 20 DBED COC(=O)c1cc(C#N)c(=O)n(CC(=O)N2CCO[C@H](C)C2)c1 875243813 LXPDMJIJBQWHPT-SNVBAGLBSA-N 319.317 -0.246 30 20 DBED C#CC[C@H](CO)NS(=O)(=O)N1CCC[C@H](C(=O)OCC)C1 882342717 HJYAKUQXUDKVDD-NWDGAFQWSA-N 318.395 -0.520 30 20 DBED C#CC1(O)CN(C(=O)NCc2cccnc2OCCOC)C1 891913118 PYCDSFMTRGLCMS-UHFFFAOYSA-N 305.334 -0.004 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCCCN1C(=O)C(N)=O 937468792 WDLFZMDKTUBOPZ-XQQFMLRXSA-N 323.393 -0.050 30 20 DBED Cn1oc(C(=O)N[C@H]2CCN(C(=O)C#CC3CC3)C2)cc1=O 937880357 XCKYRGCUVXOSPZ-NSHDSACASA-N 303.318 -0.278 30 20 DBED N#Cc1cc(C(=O)N2CC[C@H](NC(=O)Cn3cncn3)C2)c[nH]1 938881544 KLBVKNIHDPFPSD-NSHDSACASA-N 313.321 -0.491 30 20 DBED CO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1NC(=O)c1ccnc(O)c1 941510273 SGTNBMMQVOIRNT-YUSALJHKSA-N 318.333 -0.098 30 20 DBED C#Cc1cncc(C(=O)N2CC[C@@H](NC(=O)c3nc[nH]n3)C2)c1 942156781 SQXGXYCIDKWQHG-GFCCVEGCSA-N 310.317 -0.175 30 20 DBED C[C@H]1CN(C(=O)C(N)=O)CC[C@H]1NC(=O)c1cc(C#N)c[nH]1 945485481 STLAUKLJSQIXCZ-WCBMZHEXSA-N 303.322 -0.662 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)CN2CCNC(=O)C2)C[C@H]1C 947620907 QROMNOXABBQTAA-KGLIPLIRSA-N 308.426 -0.037 30 20 DBED C#CCCN1CC[C@H](NC(=O)CN2CCNC(=O)C2)C[C@H]1C 947621906 XUEHIXPVFLJCSZ-KGLIPLIRSA-N 306.410 -0.589 30 20 DBED C=C(C)CN1CCC2(CC1)CN(C(=O)[C@@H]1CNC(=O)N1)CCO2 949174147 IFZXGUJIYDTOCN-ZDUSSCGKSA-N 322.409 -0.063 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@H]2CNC(=O)c2nc[nH]n2)cn1 951586589 IFLQWDIWEIQRTG-LBPRGKRZSA-N 310.317 -0.175 30 20 DBED C#Cc1ccc(C(=O)N2CC(N(C)C(=O)Cn3nccn3)C2)cn1 954375588 SMSJHJJVJKOEEG-UHFFFAOYSA-N 324.344 -0.363 30 20 DBED C=CCCN1C[C@@H](O)[C@H](CNC(=O)c2cc3n(n2)CCO3)C1 958135661 QNHZLAIAFMLFKX-DGCLKSJQSA-N 306.366 -0.126 30 20 DBED C=CCCN1C[C@H](CNC(=O)c2cnc3[nH]nnc3c2)[C@@H](O)C1 958149453 SXPKGMGKEMKSQA-AAEUAGOBSA-N 316.365 -0.049 30 20 DBED CC#CCN1C[C@@H](O)[C@@H](CNC(=O)c2c[nH]c(C(N)=O)c2)C1 958683427 GIAVHXBHNJQGQK-WCQYABFASA-N 304.350 -0.841 30 20 DBED C=CCN1C[C@H](O)[C@H](CNC(=O)c2cccc(C(N)=O)n2)C1 958736445 OQJNAUAVRNJFPV-MFKMUULPSA-N 304.350 -0.611 30 20 DBED C[C@@H]1CCO[C@@H]1C(=O)N(C)[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 958967009 XCUOLZAEEZJAIA-DSRCVFDASA-N 320.389 -0.145 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H]2CN(C(=O)c3ccnnc3)C[C@@H]21 960873997 GUJFCLMYMIOOQA-WCFLWFBJSA-N 315.333 -0.312 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CN(C(=O)c3cnnn3C)C[C@H]2C1 961484182 IVNMJYCKMIWZBN-MXWKQRLJSA-N 302.338 -0.495 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CN(C(=O)C(N)=O)C[C@H]2C1 961655240 LFSHAHFWWYYFRT-RNJOBUHISA-N 321.377 -0.630 30 20 DBED Cc1nc(O)[nH]c1C(=O)NC[C@H]1COCCN1C(=O)[C@@H](C)C#N 964234663 KTUOZGYCESASJZ-WPRPVWTQSA-N 321.337 -0.459 30 20 DBED C[C@@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)CN1CCOCC1)C2 969807720 UVSIMLDQAHRKML-IHRRRGAJSA-N 320.393 -0.320 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)[C@@H]3CCC(=O)N3C)C2)C1 972502818 VTXVPVGKWNTTFR-XJKSGUPXSA-N 305.378 -0.456 30 20 DBED C=CCN1CCO[C@]2(CCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C2)C1 972573528 RBVTZJLJWWBVIP-XHDPSFHLSA-N 322.365 -0.926 30 20 DBED C=C(C)CN1C[C@@H]2C(CNC(=O)C3CC(=O)NC(=O)C3)[C@H]2C1 978851347 DNISQHNZEVIJDK-CHWSQXEVSA-N 305.378 -0.091 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2nc(O)nc(O)c2OC)CC1(C)C 996512327 NQICMYLPEYMMEJ-SECBINFHSA-N 320.349 -0.030 30 20 DBED C#CCNC1CCN(C(=O)C[C@@]2(C)CCS(=O)(=O)N2)CC1 997210121 HSHJTWIJMIHUNY-CQSZACIVSA-N 313.423 -0.328 30 20 DBED CN(C(=O)CN1CCCCS1(=O)=O)C1CC(NCC#N)C1 999125324 JFXUEMKEURCRQQ-UHFFFAOYSA-N 314.411 -0.485 30 20 DBED C=CC(C)(C)C(=O)N1CC(NC(=O)c2ccc(=O)n(C)n2)C1 1000095078 KBFLWOBAGDJTRZ-UHFFFAOYSA-N 304.350 -0.067 30 20 DBED C=C(Cl)CN[C@H]1CCCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 1000327168 FFVCIVKDRNYXAN-UWVGGRQHSA-N 314.773 -0.082 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C(=O)[C@H]2CCN(C)C(=O)C2)CC1 1011421346 VTXHJFQEXNFTSY-NEPJUHHUSA-N 306.366 -0.315 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C(=O)c2ccn(C)c(=O)c2)CC1 1011423529 YCFKUNGJSCQZFQ-LLVKDONJSA-N 302.334 -0.171 30 20 DBED C=C(Cl)CN1CC[C@@H](NC(=O)CN2CC(=O)NC2=O)C1 1015864936 LTOIPEQPSVFSAY-SECBINFHSA-N 300.746 -0.519 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CC[C@H](C)N(C(=O)C(N)=O)C2)nn1 1018159360 FOIYXGMYIRIPIJ-UWVGGRQHSA-N 320.353 -0.941 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ncc[nH]2)C1 1023625272 IYKDWPGBMAHCHC-KKOKHZNYSA-N 320.349 -0.698 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)c3cnn[nH]3)C[C@H]2O)C1 1025521961 PMPMDEMUWCJCJO-GHMZBOCLSA-N 305.338 -0.538 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](CNCc2nnc3n2CCOC3)C1 1026732381 IUOPFYTWCIQKFH-VXGBXAGGSA-N 318.381 -0.094 30 20 DBED C#CCN1CC[C@@H](CNC(=O)[C@@H]2CN3CC4CC3(CO2)C4)C1 1028698610 OABKHMLPVIKUKS-BOLLXYOYSA-N 303.406 -0.079 30 20 DBED C#CCN[C@H]1CC[C@H](NC(=O)CN2C(=O)CN(C)C2=O)CC1 1034789306 VDFUQLTXEUOSNJ-HAQNSBGRSA-N 306.366 -0.469 30 20 DBED C#CCN[C@H]1CC[C@H](NC(=O)[C@H]2COCCN2C(C)=O)CC1 1034796947 KSLVTNLBPTWDJO-RBSFLKMASA-N 307.394 -0.116 30 20 DBED Cc1ccc(=O)n(CC(=O)N2CC[C@@H](NCC#N)[C@@H](C)C2)n1 1036264835 LNMLUSSYFQEFEE-WCQYABFASA-N 303.366 -0.098 30 20 DBED C#CCCN1CC[C@H]2CN(C(=O)CN3CC(=O)NC3=O)CC[C@H]21 1036843173 BCNHQHSVCWOFGS-QWHCGFSZSA-N 318.377 -0.516 30 20 DBED C#CCCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)CN1CCCS1(=O)=O 1037425114 IDFBYZZXCBTMHX-MBNYWOFBSA-N 311.407 -0.766 30 20 DBED COCC(=O)N1CC[C@@H]2OCCN(c3ccnc(C#N)n3)[C@@H]2C1 1039989557 GLZFXJBWIDENSL-NEPJUHHUSA-N 317.349 -0.199 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@@](O)(CNC(=O)c2cnco2)C1 1040392319 LLQCUHNPRXEAEQ-XHDPSFHLSA-N 321.333 -0.594 30 20 DBED C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1O 1041342159 LUOXMFWPSAYUJS-LHMODEAPSA-N 317.349 -0.561 30 20 DBED Cc1c[nH]c(C(=O)N[C@@H]2CN(c3ncccc3C#N)C[C@H]2O)n1 1041377083 GEHFNNKKDQROSX-VXGBXAGGSA-N 312.333 -0.036 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)[C@@H](C)SC)C1 1041620268 TXQZFJVITYUWIK-SNVBAGLBSA-N 302.396 -0.370 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)Cc2cccnc2)C1 1042565126 VTVHSTDELKEFBI-UHFFFAOYSA-N 315.373 -0.027 30 20 DBED CN(C(=O)c1c[nH]c(C#N)c1)C1CN([C@H]2CCC(=O)NC2=O)C1 1042638393 HVMLBHSFSYFGIE-LBPRGKRZSA-N 315.333 -0.552 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(O)CN(C(=O)c2ccccn2)C1 1042809525 MKOXCARMCOOOKI-HNNXBMFYSA-N 319.361 -0.288 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)C[C@@H]2CCOC2)C1 1043039609 IGAMBNGTAXBICW-OLZOCXBDSA-N 324.377 -0.859 30 20 DBED CCc1cc(C(=O)NCC2(O)CN(C(=O)[C@H](C)C#N)C2)no1 1044239670 FPTLJJQKUULETE-SECBINFHSA-N 306.322 -0.300 30 20 DBED Cn1cncc1C(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@@H]1O 1044289533 YTTSCSOXYRFTCT-OCCSQVGLSA-N 312.333 -0.334 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1045016937 ASYGPXWMXXZMLT-WUHRBBMRSA-N 324.377 -0.841 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)C(C)(C)c2cnc[nH]2)C1 1045546640 OYRZMXAXPXXBLF-JTQLQIEISA-N 319.365 -0.464 30 20 DBED N#CCN1C[C@H]2C[C@H](NC(=O)CN3C(=O)CNC3=O)C[C@H]1C2 1047197895 OJVJOGQHTVDEOK-GARJFASQSA-N 305.338 -0.969 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)Cn2cc(C3CC3)nn2)C1 1047406576 HSRILUJJUYWXTP-KBPBESRZSA-N 305.382 -0.155 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCCN(C)C2=O)C1 1047593815 XFTMMXZHUGAKLT-KKUMJFAQSA-N 321.421 -0.228 30 20 DBED C#CCCCC(=O)N(C)[C@H]1CN(C(=O)c2n[nH]cc2F)C[C@@H]1O 1048753982 IEAPERNZQJSYNF-RYUDHWBXSA-N 322.340 -0.004 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2CN(CCCO)C[C@@H]2C1 1048870279 VZVLLOZPBDZOJO-XHSDSOJGSA-N 305.422 -0.143 30 20 DBED O=C1CC[C@H](NC[C@H]2CN(C(=O)C#CC3CC3)CCO2)C(=O)N1 1051609107 OBUKVUOUJBDEMW-STQMWFEESA-N 319.361 -0.978 30 20 DBED C=CCN1CC[C@H](N2CC3(CN(C(=O)COC)CCO3)C2)C1=O 1053110388 ILTFYCSPTBIPQW-ZDUSSCGKSA-N 323.393 -0.667 30 20 DBED C#CCN1CC2(C1)CN(C(=O)Cn1cc(C3CC3)nn1)CCO2 1053286889 HADZSXZKIMKVBM-UHFFFAOYSA-N 315.377 -0.298 30 20 DBED N#CCN1CC2(CC[C@@H](CNC(=O)[C@@H]3CCNC(=O)C3)O2)C1 1053590126 ADZPKKMRRBBCTN-NEPJUHHUSA-N 306.366 -0.614 30 20 DBED CN1C[C@@H](C(=O)NC[C@@H]2CCC3(CN(CC#N)C3)O2)CC1=O 1053606874 PBPQZVQCTZAXKC-RYUDHWBXSA-N 306.366 -0.662 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2CN(C(=O)COCC)C[C@@H]2C1 1055144016 AMLOBMQJVPRRHP-MELADBBJSA-N 308.378 -0.022 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H]2CN(C(=O)[C@@H](F)CC)C[C@H]2C1 1055294874 XQCHBKBMMNCAEA-XQQFMLRXSA-N 323.368 -0.209 30 20 DBED C#CCN1CCC(C(=O)N[C@]2(CO)CCCN(C(C)=O)C2)CC1 1055980271 IJEHDRJNKMTSNL-QGZVFWFLSA-N 321.421 -0.179 30 20 DBED C[C@@H](C#N)C(=O)N[C@@]1(CO)CCCN(C(=O)C2=COCCO2)C1 1056093747 NVGCBHHBTUBEHL-NHYWBVRUSA-N 323.349 -0.496 30 20 DBED Cn1cnc(C(=O)NC2[C@@H]3CN(c4ccc(C#N)nn4)C[C@@H]23)c1 1056185884 JWBWBQCBEFTWRT-GHMZBOCLSA-N 309.333 -0.054 30 20 DBED Cn1nncc1C(=O)N[C@H]1[C@@H]2CN(c3ccncc3C#N)C[C@@H]21 1056194596 OBZXMBRJDBDYLB-YABSGUDNSA-N 309.333 -0.054 30 20 DBED N#Cc1ccc(N2C[C@H]3[C@H](NC(=O)[C@@H]4CCNC4=O)[C@H]3C2)nc1 1056356103 RQRXYZWVXQJWBA-NMKXLXIOSA-N 311.345 -0.360 30 20 DBED N#Cc1nccnc1N1C[C@H]2C(NC(=O)[C@@]34COC[C@@H]3C4)[C@@H]2C1 1056451681 XFNJXYCWDLTRJF-GFOPWETNSA-N 311.345 -0.064 30 20 DBED C=C[C@@](C)(CCOC)C(=O)NCCN(CCO)C(=O)COC 1056792340 LLJCZZPWMFADEL-HNNXBMFYSA-N 316.398 -0.201 30 20 DBED CN(c1ccc(C#N)cn1)[C@@H]1CCN(C(=O)Cn2cnnn2)C1 1056849345 BXIDCONXUSTHOA-GFCCVEGCSA-N 312.337 -0.323 30 20 DBED CN(c1cncc(C#N)n1)[C@@H]1CCN(C(=O)c2ncn(C)n2)C1 1056910404 SUWONPCXFBSPEU-LLVKDONJSA-N 312.337 -0.172 30 20 DBED CO[C@H](C)CC(=O)N(CCO)CCNC(=O)c1cc(C#N)c[nH]1 1057161451 RVWIFHNCLXINID-LLVKDONJSA-N 322.365 -0.138 30 20 DBED C#CCNC(=O)CC(=O)NCCN(CCO)C(=O)[C@H](C)C1CC1 1057283612 YMBBKLSPONQNFU-GFCCVEGCSA-N 323.393 -0.891 30 20 DBED C=C1CC(C)(C(=O)NCCN(CCO)C(=O)c2cn(C)nn2)C1 1057494371 XRKQYOLVLDMCSH-UHFFFAOYSA-N 321.381 -0.278 30 20 DBED C#CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)Cc1ccoc1 1057583471 QQWBPHHLBWTXPR-ZDUSSCGKSA-N 322.361 -0.203 30 20 DBED C#CCCCCCC(=O)N(CCO)CCNC(=O)c1cnn[nH]1 1058308853 FLSUHIJELSNBOE-UHFFFAOYSA-N 321.381 -0.061 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)[C@@H]1CCCC(=O)N1C 1058363432 DNKNUUJJOJSVGU-NEPJUHHUSA-N 324.381 -0.906 30 20 DBED N#Cc1cccnc1N[C@H]1CCN(C(=O)Cn2cnnc2O)C1 1058855254 WFSXZECVTHIBFL-NSHDSACASA-N 313.321 -0.037 30 20 DBED N#Cc1cnc(N[C@H]2CCN(C(=O)c3c[nH]c(=O)cn3)C2)cn1 1059049368 MCLSMRWLQZDGQJ-VIFPVBQESA-N 311.305 -0.242 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H](CCNC(=O)C(N)=O)C1 1059729311 QGGLWANPPNTDCD-UPJWGTAASA-N 323.393 -0.192 30 20 DBED N#Cc1cncc(N[C@H]2C[C@@H](NC(=O)C[C@H]3CCNC3=O)C2)n1 1059737841 VXJHDERMHBVFRR-MXWKQRLJSA-N 314.349 -0.066 30 20 DBED N#CCSCC(=O)NC[C@H]1COCCN1C(=O)c1cocn1 1061317623 ITDBZABPRVGXAH-JTQLQIEISA-N 324.362 -0.111 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)CCn1cccn1 1061845287 GXZPFTVKBVQZTF-QWHCGFSZSA-N 319.365 -0.224 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)CSCC#N 1061845696 KQAINKICNPYGSJ-QWRGUYRKSA-N 310.379 -0.254 30 20 DBED N#Cc1ccc(N2C[C@@H]3C[C@H]2CN3C(=O)c2nccnc2N)nn1 1062459955 ZWNBULSDUIVFBN-QWRGUYRKSA-N 322.332 -0.176 30 20 DBED C#CCCCC(=O)NC1(CNC(=O)CS(C)(=O)=O)CCC1 1062655284 AFNYDPZTYCAGKJ-UHFFFAOYSA-N 314.407 -0.010 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)CS(C)(=O)=O)CCC1 1062655692 PMGAZJODRSQICX-SECBINFHSA-N 301.368 -0.654 30 20 DBED CN(C(=O)c1cnn(C)n1)[C@@H]1CCN(c2nccnc2C#N)C1 1062955614 VVBIIMQRTBYTKY-SNVBAGLBSA-N 312.337 -0.172 30 20 DBED CCn1ncc(C(=O)N[C@H]2[C@H]3C[C@H]2N(c2ccc(C#N)nn2)C3)n1 1064246229 KRDGPJKSMCFVHW-BHYNMZESSA-N 324.348 -0.033 30 20 DBED Cc1nc(CC(=O)N[C@@H]2[C@H]3C[C@H]2N(c2cnc(C#N)cn2)C3)n[nH]1 1064249272 AUVRYEFCEDAQLV-ZVWUFJHRSA-N 324.348 -0.289 30 20 DBED CN(C(=O)c1cnon1)[C@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1065600169 YFYHXXAGKWFIGB-QWRGUYRKSA-N 315.293 -0.947 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N(C)CCCN(C)C(=O)C(N)=O 1067531208 DAPSKUWECNZFEK-NEPJUHHUSA-N 311.382 -0.240 30 20 DBED C[C@H](C#N)C(=O)N(C)CCCN(C)C(=O)C1CC(=O)NC(=O)C1 1067788139 CMKVRGCQYHDTCU-SNVBAGLBSA-N 322.365 -0.494 30 20 DBED C[C@@H](Nc1nccnc1C#N)[C@H]1CN(C(=O)CC(N)=O)CCO1 1068227260 ILCREFGORYRQLY-MWLCHTKSSA-N 318.337 -0.749 30 20 DBED C=CCOCC(=O)N[C@@H]1COC2(C1)CN(C(=O)[C@@H]1CCCO1)C2 1068764288 NOUIRNYAAWXHIZ-STQMWFEESA-N 324.377 -0.146 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1COC2(C1)CN(C(=O)CCOC)C2 1068867721 BUOOIQGSVVWPCM-STQMWFEESA-N 324.377 -0.453 30 20 DBED C=CCCCC(=O)N[C@@H]1COC2(C1)CN(C(=O)CNC(N)=O)C2 1068992602 LWJWGLWTTTWSRL-NSHDSACASA-N 324.381 -0.503 30 20 DBED C[C@H]1C[C@@H](Nc2cnc(C#N)cn2)CN1C(=O)Cn1cnnn1 1069006688 VFJVIMDBALZRAS-VHSXEESVSA-N 313.325 -0.564 30 20 DBED Cc1nonc1C(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1 1070107987 AOPWRXSACBVUMA-ZJUUUORDSA-N 302.298 -0.852 30 20 DBED C=CCN1CCOC[C@H]1c1n[nH]c(CNC(=O)c2nc[nH]n2)n1 1070591463 HBMOVDCUFNWFJM-VIFPVBQESA-N 318.341 -0.588 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@H]2CCN(C)C2)C[C@H]1c1cncn1C 1070719032 PVNYFDQAZZCZDY-RRFJBIMHSA-N 315.421 -0.111 30 20 DBED CC(C)C#CC(=O)N1CCC(C)(NC(=O)Cn2ncnn2)CC1 1073010532 PCHSRKDKZZFMGZ-UHFFFAOYSA-N 318.381 -0.170 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H]1CCN(C(=O)C(N)=O)CC1(C)C 1073393873 QPIXNYARQMXYHL-MNOVXSKESA-N 309.366 -0.747 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CN(CC#N)CCCO1 1073641809 BVQAGACFYIHNBT-CABCVRRESA-N 304.394 -0.185 30 20 DBED CCN1CCO[C@@H](C(=O)NC[C@@H]2CN(CC#N)CCCO2)C1 1073895723 ADUAAAIVPSHWNT-ZIAGYGMSSA-N 310.398 -0.562 30 20 DBED CNC(=O)NCC(=O)N[C@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1C 1074011560 UDSKAVKDKUZMJH-AAEUAGOBSA-N 320.393 -0.318 30 20 DBED C=C(C)CN1CCO[C@@H]2CCN(C(=O)Cn3cnnn3)C[C@H]21 1074159249 BPHNIQACNNPTME-CHWSQXEVSA-N 306.370 -0.449 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)c3cc(=O)n(C)cn3)C[C@@H]21 1074269364 VGEQBDGOEQINCF-UONOGXRCSA-N 316.361 -0.671 30 20 DBED CC#CCN1CCO[C@@H]2CCN(C(=O)CCn3cnnn3)C[C@@H]21 1074369424 WHZVHRWQBJWUIQ-UONOGXRCSA-N 318.381 -0.612 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]2CN(CCN3C(=O)CCC3=O)C[C@H]21 1075616355 QSQGQTVCVFEZSY-FRRDWIJNSA-N 318.377 -0.172 30 20 DBED C#CCOCCC(=O)N[C@@H](C)CCNC(=O)[C@H](C)n1cncn1 1076203675 YOVMSPJTVKXFMX-STQMWFEESA-N 321.381 -0.110 30 20 DBED C[C@@H](CCNC(=O)C#CC1CC1)NC(=O)[C@@]1(C)CNC(=O)C1 1076431926 VAWMIZSOCJUVCW-MEDUHNTESA-N 305.378 -0.063 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN(CCn3cncn3)C[C@H]2O)C1 1077645495 JOHUAINTGFDADE-CHWSQXEVSA-N 305.382 -0.204 30 20 DBED C#CCNC(=O)CC(=O)N1CC(N(CC)C(=O)C2(CF)CC2)C1 1080508301 QGBYXWFQEHRQFF-UHFFFAOYSA-N 323.368 -0.065 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CO)(NC(=O)Cn2ccnc2)CC1 1080905092 KKDGDKXWBPZRKV-LBPRGKRZSA-N 319.365 -0.488 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2ccnnc2)C[C@H]1O 1081347062 QGNZTEDSBQRMSZ-CHWSQXEVSA-N 320.349 -0.772 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]1O 1081463079 JEECVMLUOFPTPL-CABCVRRESA-N 323.437 -0.079 30 20 DBED C=C(C)C(C)(C)C(=O)NC[C@H]1CN(C(=O)c2cnn[nH]2)C[C@@H]1O 1081642327 DVYXTKCKUKOWTH-JQWIXIFHSA-N 321.381 -0.044 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@H]1CC(=O)N(CC(C)C)C1 1081761981 TXKUMJAWSHCWFD-BFHYXJOUSA-N 322.409 -0.170 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CCCCN1C(=O)C1(NC(N)=O)CC1 1082014890 SMEFXQDCPAASLK-MNOVXSKESA-N 321.381 -0.156 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@H](Cn2cccn2)N(C)C)C[C@H]1C 1082558587 YMYPWOHEKAWINQ-KFWWJZLASA-N 303.410 -0.117 30 20 DBED C=C(Cl)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CNC(=O)N1 1083179578 DAWSLWOFCKIAAX-GARJFASQSA-N 314.773 -0.668 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCCN2C2CCOCC2)C1 1083519689 GCEAOZWVUMOGKN-ILXRZTDVSA-N 322.409 -0.685 30 20 DBED COCCn1nc(C(=O)NC[C@H]2C[C@@H](NCC#N)C2)ccc1=O 1086142655 HMWVHERAVSZIFM-TXEJJXNPSA-N 319.365 -0.489 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2CC[C@@H](N[C@@H](C)C(N)=O)C2)nn1 1086823548 KDCKXYLFQVCAKL-SDDRHHMPSA-N 320.397 -0.174 30 20 DBED CCO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1CNCc1nnnn1C 1087035770 MAEFDKQSLKARBZ-QJPTWQEYSA-N 321.385 -0.677 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)CCN3C(=O)CCC3=O)C[C@@H]2C1 1088032394 MNVDFICYOZBMDA-KGLIPLIRSA-N 317.389 -0.061 30 20 DBED C#CCN1CC[C@H](NC(=O)c2ccc3nnc(C)n3c2)[C@H](O)C1 1090377334 IWKLHLWGZLZUOL-UONOGXRCSA-N 313.361 -0.164 30 20 DBED CC[C@@H](C)OCC(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1O 1090409936 SMUBQXPOBUDLOF-RAIGVLPGSA-N 319.365 -0.171 30 20 DBED C=CCCN1CC[C@@H](NC(=O)c2ccc(C(N)=O)[nH]2)[C@H](O)C1 1090574376 RWVGHLWADCFYJZ-ZWNOBZJWSA-N 306.366 -0.145 30 20 DBED C[C@@H]1CN(C(=O)CCNC(N)=O)C[C@H]1Nc1nccnc1C#N 1090975738 CGTDRDWYTQQLQD-MWLCHTKSSA-N 317.353 -0.335 30 20 DBED C#CCNC1CC(CNC(=O)c2ccc(S(N)(=O)=O)o2)C1 1091119060 KLRWAPXQHDODHF-UHFFFAOYSA-N 311.363 -0.342 30 20 DBED Cc1cc(C#N)nc(NCCNC(=O)[C@@H]2CCS(=O)(=O)C2)n1 1093978511 OZTKOEQVJXKARW-SNVBAGLBSA-N 323.378 -0.381 30 20 DBED C[C@@H]1C[C@@H](C(=O)NCCN=c2cc[nH]c(C#N)n2)CC(=O)N1 1093982433 FPAXPRLRMKLRLS-NXEZZACHSA-N 302.338 -0.787 30 20 DBED C#CCN1CC(n2cc(CNC(=O)c3cnn4cc[nH]c34)nn2)C1 1094336905 XGPOJNOZCCINFK-UHFFFAOYSA-N 324.348 -0.326 30 20 DBED C=C(C)CN1CC(N2C[C@@H](NC(=O)Cc3nc[nH]n3)CC2=O)C1 1094804036 MOSMIAFDIIUBNH-NSHDSACASA-N 318.381 -0.675 30 20 DBED C[C@@H](CC(N)=O)C(=O)N1CC[C@@H](Nc2nccnc2C#N)C1 1095077214 MBENEFQLFOLQEZ-VHSXEESVSA-N 302.338 -0.127 30 20 DBED CNC(=O)NCC(=O)NC1CCN(c2cncc(C#N)n2)CC1 1095449536 GHMJYRAOXOCIED-UHFFFAOYSA-N 317.353 -0.638 30 20 DBED CN(CCCNC(=O)[C@H]1COCCO1)c1nccnc1C#N 1095490278 VUFPVHSIXCMDQQ-GFCCVEGCSA-N 305.338 -0.294 30 20 DBED C#CCCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H]1CN(C(C)=O)CCO1 1096460967 GNPYDSMTFXXATR-UGUYLWEFSA-N 319.405 -0.022 30 20 DBED N#Cc1nccnc1NC[C@@H]1CCCN(C(=O)CNC(N)=O)C1 1097353852 ALVYCBHPQOQWML-JTQLQIEISA-N 317.353 -0.333 30 20 DBED COCC(=O)N[C@@H](C)C(=O)NC[C@H](C)Nc1nccnc1C#N 1098342185 NIGYEKGWUDCRKH-UWVGGRQHSA-N 320.353 -0.584 30 20 DBED C#CCN(CCO)C1CCN(C(=O)CCCn2cncn2)CC1 1098526370 ICURTQJQIHYYQI-UHFFFAOYSA-N 319.409 -0.023 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2cnns2)[C@@H](O)C1 1099696266 WGAYUXNIECTMMP-MNOVXSKESA-N 310.379 -0.647 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(Cc2cnn(C)n2)C[C@H]1O 1099739068 WLOGKGGEUHQONQ-QWHCGFSZSA-N 309.370 -0.931 30 20 DBED CC(C)C#CC(=O)N[C@H]1CCN(Cc2cn(C)nn2)C[C@@H]1O 1099821670 WVPADZBIFVTASY-KBPBESRZSA-N 305.382 -0.474 30 20 DBED CN(CCNC(=O)C[C@@H]1CCC(=O)N1C)c1cnc(C#N)cn1 1100254103 HJRZJISTLPDPMG-LBPRGKRZSA-N 316.365 -0.088 30 20 DBED CCN(CCNC(=O)C[C@H]1CCNC1=O)c1ccc(C#N)nn1 1100635172 DTRMPWABGPYJJH-LLVKDONJSA-N 316.365 -0.183 30 20 DBED Cc1nc[nH]c1C(=O)NCC1CC(NCC(=O)NCC#N)C1 1101079174 PKHFQTJUXRSBPV-UHFFFAOYSA-N 304.354 -0.544 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)[C@@]1(C)CCNC1=O 1101959339 QDTNYMJLPIEPMF-AWEZNQCLSA-N 302.338 -0.833 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](C)[C@H](CCNC(=O)COC)C1 1102625744 AFFNAZPCVUJXSE-HZSPNIEDSA-N 309.410 -0.155 30 20 DBED CC[C@H](CNC(=O)Cn1cncn1)Nc1nccnc1C#N 1103086069 PQIZQLOOTGRMCO-SNVBAGLBSA-N 300.326 -0.053 30 20 DBED Cc1nonc1C(=O)NC[C@H](C)CN=c1cc[nH]c(C#N)n1 1104003689 FTHNCZJZKDTUMA-MRVPVSSYSA-N 301.310 -0.060 30 20 DBED C[C@@H](CNc1cncc(C#N)n1)N(C)C(=O)[C@@H]1CCNC1=O 1104765966 AFHORMAETAGXDX-GXSJLCMTSA-N 302.338 -0.257 30 20 DBED CC#CCNCc1cn(C2CN(C(=O)[C@H](O)C(C)C)C2)nn1 1105227356 HAIPDCSESLQVDV-CQSZACIVSA-N 305.382 -0.209 30 20 DBED CN(CCN(C)c1cncc(C#N)n1)C(=O)[C@H]1CCC(=O)N1 1105352400 PGKWTKXJYPKMHC-LLVKDONJSA-N 302.338 -0.479 30 20 DBED CN(CCN(C)c1cncc(C#N)n1)C(=O)[C@H]1CCNC(=O)C1 1105358702 WEKLWMNLXAQHBP-NSHDSACASA-N 316.365 -0.231 30 20 DBED N#Cc1cnc(NC[C@@H](O)CNC(=O)c2ccc(O)nc2)cn1 1105848936 YVQJBQSXYOZDRQ-LLVKDONJSA-N 314.305 -0.348 30 20 DBED C=CCO[C@@H](C)C(=O)NC[C@H](O)CNc1nccc(OC)n1 1105892508 YOXPYYRLECRVHP-QWRGUYRKSA-N 310.354 -0.035 30 20 DBED N#Cc1cccnc1NC[C@H](O)CNC(=O)[C@@H]1CCC(=O)N1 1105921264 BNGDZFQVPBZRHQ-QWRGUYRKSA-N 303.322 -0.879 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H](O)CNc1cc(COC)ncn1 1105971264 WGRXYTNQTUWRPW-WCQYABFASA-N 322.365 -0.450 30 20 DBED Cc1nc(O)[nH]c1C(=O)NC[C@@H](O)CNc1cnc(C#N)cn1 1106001360 UBHXLLKMTYGANZ-VIFPVBQESA-N 317.309 -0.712 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](O)CNc1ccc(C#N)nn1 1106124877 FMAAJJFTZPERKB-XQQFMLRXSA-N 317.349 -0.172 30 20 DBED C[C@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)c1cncnc1O 1106473005 VMLDBEIOHJDCEF-SECBINFHSA-N 313.321 -0.114 30 20 DBED CCN(CCNc1cncc(C#N)n1)C(=O)Cc1nc[nH]n1 1106838691 QLMRAYXIVWPPSE-UHFFFAOYSA-N 300.326 -0.031 30 20 DBED C=CCOCC(=O)NC/C=C/CN=c1cc[nH]c(C(=O)OC)n1 1107075708 VONSWQYZRWDAIY-SNAWJCMRSA-N 320.349 -0.028 30 20 DBED C#CCNC(=O)CN1CC(n2cc(CNC(=O)CCC)nn2)C1 1107114793 IZTYADGDESBYKK-UHFFFAOYSA-N 318.381 -0.700 30 20 DBED N#Cc1cncc(NC/C=C/CNC(=O)CN2CCOCC2)n1 1107134098 RAOGFVRLLYRHST-OWOJBTEDSA-N 316.365 -0.235 30 20 DBED CC#CCN1CC(n2cc(CNC(=O)[C@H](C)CC(N)=O)nn2)C1 1107191359 SATFIGRQIMECEC-LLVKDONJSA-N 318.381 -0.714 30 20 DBED C#CCN1CC[C@@]2(CNC(=O)Cn3ncn(C)c3=O)CCC[C@@H]12 1107457926 XKPZAQHLLYNNNO-CZUORRHYSA-N 317.393 -0.424 30 20 DBED C#CCNC(=O)CN1CCO[C@](C)(CNC(=O)CC(C)C)C1 1107703107 VQESAOQYJQVKCH-MRXNPFEDSA-N 309.410 -0.011 30 20 DBED CC(C)C#CC(=O)NC[C@]1(C)CN(CC(=O)NCC#N)CCO1 1107926540 JNVMTLWUWYGGSR-MRXNPFEDSA-N 320.393 -0.507 30 20 DBED C=CCN1CCO[C@@](C)(CNC(=O)CCNC(=O)COC)C1 1107984176 VLFMHGUJVVHNMG-HNNXBMFYSA-N 313.398 -0.468 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@]1(C)CN(CCCO)CCO1 1108003900 MGNOIVBFRWZCEA-RDJZCZTQSA-N 323.437 -0.327 30 20 DBED C=CCCN1CCO[C@](C)(CNC(=O)CN2CCNC(=O)C2)C1 1108117783 NLADAVCDSBQQKQ-MRXNPFEDSA-N 324.425 -0.799 30 20 DBED C=C(C)CN1CCO[C@@](C)(CNC(=O)CN2C(=O)CNC2=O)C1 1108386102 XAKVDYAULDNUBY-HNNXBMFYSA-N 324.381 -0.679 30 20 DBED C=CCCN1CCO[C@](C)(CNC(=O)C[C@H]2CC(=O)NC2=O)C1 1108446624 FBWGPMICAWKPHJ-BLLLJJGKSA-N 323.393 -0.178 30 20 DBED C[C@@H](CNc1ccc(C#N)cn1)NC(=O)C1CS(=O)(=O)C1 1108547890 YTJPESJZEGIPFX-VIFPVBQESA-N 308.363 -0.086 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)CCCn1ccnn1 1108558090 ZJQOYXNTSQUFLH-NSHDSACASA-N 314.353 -0.241 30 20 DBED CC#CCCCC(=O)N[C@H]1CC(=O)N(C2CN(C[C@H](C)O)C2)C1 1108564706 QHQFBRNXNYMTMQ-KBPBESRZSA-N 321.421 -0.038 30 20 DBED C[C@@H](CN(C)c1ccc(C#N)nn1)NC(=O)[C@H]1CN(C)C(=O)N1 1109194761 VQHKPQCTHYWBBR-GXSJLCMTSA-N 317.353 -0.687 30 20 DBED CNC(=O)NCC(=O)N[C@@H](C)CN(C)c1ccc(C#N)nc1 1109287752 QQFAHGMGGPLSRZ-JTQLQIEISA-N 304.354 -0.177 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CS(=O)(=O)CCOC 1109457419 QLRRVMUPEFBVSW-AGIUHOORSA-N 314.407 -0.598 30 20 DBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H]1CCNC1=O 1109596048 DJKFTQLFSFXAJU-VOAKCMCISA-N 320.393 -0.854 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1110182816 ATTZRZDJKJNMAD-CRWXNKLISA-N 320.393 -0.061 30 20 DBED CN1CC[C@H](C(=O)NCC2(Nc3ccnc(C#N)n3)CC2)C1=O 1110307301 URACHFXJHPESON-SNVBAGLBSA-N 314.349 -0.113 30 20 DBED CC[C@H](OC)C(=O)N(C)[C@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1111178689 CFFZRILMQNAQGQ-AVGNSLFASA-N 319.365 -0.219 30 20 DBED C[C@@H](Nc1ccc(C#N)nn1)[C@@H]1CCN(C(=O)CNC(N)=O)C1 1111205963 RTGIPBNPPASIQN-NXEZZACHSA-N 317.353 -0.335 30 20 DBED C[C@H](CC(N)=O)C(=O)N(CCO)CCNc1ncccc1C#N 1111535205 NJCPXZOUNDBOEF-LLVKDONJSA-N 319.365 -0.302 30 20 DBED C[C@@H](NS(C)(=O)=O)C(=O)N[C@]12CCC[C@H]1CN(CC#N)C2 1111883649 TZFBSTQGLPTVHG-MDZLAQPJSA-N 314.411 -0.582 30 20 DBED CNC(=O)CN[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1C(F)(F)F 1112068570 GAFNGFJMIQGINU-IWSPIJDZSA-N 306.288 -0.129 30 20 DBED Cc1cc(C#N)nc(N[C@@H](C)[C@@H](C)NC(=O)CNC(N)=O)n1 1112893794 BBNJBZAVLCQLCT-BDAKNGLRSA-N 305.342 -0.370 30 20 DBED C[C@@H](CNC(=O)[C@H]1COC(=O)N1)N(C)c1cncc(C#N)n1 1113591558 ZCBRLVJQCOMLCI-WCBMZHEXSA-N 304.310 -0.602 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3snnc3C)[C@H]2C1 1113838631 GYGXAWXNBBZZAB-UWVGGRQHSA-N 319.390 -0.744 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)c3cnsn3)[C@H]2C1 1113926250 XSGYLGBGCMYBTE-GUBZILKMSA-N 319.390 -0.664 30 20 DBED CC(C)(C)C#CC(=O)NC1[C@@H]2CN([C@@H]3CCC(=O)NC3=O)C[C@@H]12 1114255320 GTXWWNFSZQWQML-IJLUTSLNSA-N 317.389 -0.113 30 20 DBED C#CCOCCC(=O)NC1[C@H]2CN(CC(=O)NCC=C)C[C@H]12 1114265806 JHHZKPIBLOEMKD-STQMWFEESA-N 305.378 -0.625 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)[C@H](C3CC3)N(C)C)[C@@H]2C1 1114409055 FTVSFOLTHYJQBQ-IOASZLSFSA-N 320.437 -0.325 30 20 DBED C=CCCCN1C[C@H]2C(NC(=O)CN3CCOCC3=O)[C@@H]2C1 1114412106 QIYAMRTWTUEFMK-CHWSQXEVSA-N 307.394 -0.142 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)c3[nH]nnc3C)[C@H]2C1 1114661882 ZPUXZCBAUCWFRA-MEWQQHAOSA-N 318.381 -0.536 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)C3(CN(C)C)CC3)[C@H]2C1 1114740882 DAGDPOWRWVWAPQ-NHAGDIPZSA-N 318.421 -0.876 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)Cc3ccco3)[C@@H]2C1 1114994626 PRUCAEWDJLSMGQ-CHWSQXEVSA-N 301.346 -0.382 30 20 DBED C=CCN(C(=O)[C@@H]1CCCS1(=O)=O)[C@@H]1CCS(=O)(=O)C1 1118370043 XZRBGYDPXTXALN-MNOVXSKESA-N 321.420 -0.235 30 20 DBED C#CC1CCN(c2nnnn2CCCn2cc(CO)nn2)CC1 1120088932 WMKUWKUFCGSWPE-UHFFFAOYSA-N 316.369 -0.303 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H](CO)CNC(=O)C1=COCCC1 1121199263 XLBBBNOWYSSMDR-CYBMUJFWSA-N 302.334 -0.042 30 20 DBED Cc1nc(C(=O)NC[C@@H](CO)Nc2nccnc2C#N)co1 1121371448 NYBSXUZROKVRLE-VIFPVBQESA-N 302.294 -0.153 30 20 DBED COCCNC(=O)[C@@H](C#N)C(=O)CCC(=O)N1CCOCC1 1122624904 KXFARFQUEMPJTI-NSHDSACASA-N 311.338 -0.903 30 20 DBED Cc1nnccc1C(=O)NC[C@H](CO)Nc1cncc(C#N)n1 1122850434 MQOFCYMUJTUIIF-LLVKDONJSA-N 313.321 -0.351 30 20 DBED COC[C@H](OC)C(=O)N(C)C[C@@H](O)CNc1ccc(C#N)cn1 1124721907 RYWLXBYABDRCAG-STQMWFEESA-N 322.365 -0.154 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cnc2ccccc2n1 1129478908 BBURPSJMJFSKKY-UHFFFAOYSA-N 311.345 -0.301 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@H](c2n[nH]cc2CNC(C)=O)C1 1130331878 HRJHBQLSCFALNT-YPMHNXCESA-N 317.393 -0.027 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1c[nH]nc1C(C)C 1130730196 OKSMXZLVMQEXFF-NSHDSACASA-N 305.382 -0.010 30 20 DBED C[C@H]1CN(C(=O)CSCC#N)C[C@]2(CCN(CCO)C2)O1 1131638465 MVODWHRCYXVGTH-GXTWGEPZSA-N 313.423 -0.073 30 20 DBED C=CCNC(=O)CN1C[C@H](NC(=O)Cc2nc[nH]n2)CC[C@@H]1C 1132416840 NIIILFHJPCDNST-NWDGAFQWSA-N 320.397 -0.382 30 20 DBED CCCN(C)CC(=O)N[C@@H]1CC[C@H](C)N(CC(=O)NCC#N)C1 1132441193 LXZPFBQQMHOLDW-UONOGXRCSA-N 323.441 -0.063 30 20 DBED C=C(C)CN(CC)C(=O)CNCCNC(=O)[C@]1(C)CCNC1=O 1133754846 XUTXKIYVAFGIEC-MRXNPFEDSA-N 324.425 -0.357 30 20 DBED Cc1ncc(Cl)c(C(=O)NCCNCC(=O)NCC#N)n1 1134827553 NHZXUVBIPSDIKB-UHFFFAOYSA-N 310.745 -0.602 30 20 DBED CC#CCN[C@H](C)C[C@@H](C)NC(=O)c1cnc(O)n(C)c1=O 1135166180 KHEMRXHXIOCIDL-GHMZBOCLSA-N 306.366 -0.004 30 20 DBED C#CCNC(=O)CNCCNC(=O)Cc1c(C)nn(CC)c1C 1148227343 BQKPMTLNEZSAGQ-UHFFFAOYSA-N 319.409 -0.482 30 20 DBED C#CCN1CCC(C(=O)NCCNCc2ncnn2C)CC1 1152334895 UVANAGRACFWPDW-UHFFFAOYSA-N 304.398 -0.634 30 20 DBED CO[C@@H](C(=O)NCCNCC(=O)NCC#N)c1ccc(F)cc1 1153071216 FBWBNDABIMTBTL-CQSZACIVSA-N 322.340 -0.141 30 20 DBED CCN(CCC#N)C(=O)CNCCCNC(=O)c1cn(C)cn1 1156557471 FYMVHBNBZPSDJU-UHFFFAOYSA-N 320.397 -0.108 30 20 DBED C=C[C@](C)(O)CC(=O)NCCCNCC(=O)NC(=O)NCC 1157189547 NMLNBBIVEBLWBB-AWEZNQCLSA-N 314.386 -0.745 30 20 DBED CNC(=O)NC(=O)CN1CC=C(CCNC(=O)[C@H](C)C#N)CC1 1159587247 LNCOSSHHZQKZCF-LLVKDONJSA-N 321.381 -0.260 30 20 DBED C=CCNC(=O)CNCCCNC(=O)c1ccn2nnnc2c1 1163825374 VLKJRSWDPKGHGP-UHFFFAOYSA-N 317.353 -0.864 30 20 DBED C#CCCNCC1(CCNC(=O)CN2CCC(=O)NC2=O)CC1 1167656736 MPMHRROXMOVVLU-UHFFFAOYSA-N 320.393 -0.172 30 20 DBED CC(C)[C@@H](O)C(=O)N[C@H](C)CCCCNCC(=O)NCC#N 1170543859 OHCVXIPBDCTRHU-TZMCWYRMSA-N 312.414 -0.092 30 20 DBED CN(C)c1ccncc1C(=O)NCCCNCC(=O)NCC#N 1171354999 VAXFENFBQSBOCV-UHFFFAOYSA-N 318.381 -0.503 30 20 DBED C=CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)CC(=O)NCC)[C@H]1C 1178512222 LAMWJBYKMWOODP-AVGNSLFASA-N 324.425 -0.218 30 20 DBED C[C@@H]1CN(C(=O)C[C@@H]2NC(=O)NC2=O)C[C@@]1(C)CNCC#N 1181763165 AVLCQUBVRPEGEO-ISTVAULSSA-N 307.354 -0.818 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 1183592181 NJMGBMUFJUUTCR-MGPQQGTHSA-N 308.426 -0.345 30 20 DBED C=CCOCCN[C@@H]1CCN(C(=O)c2cn(C)c(=O)cn2)C1 1184434479 ZQYJRQYPAOLSQS-GFCCVEGCSA-N 306.366 -0.213 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)[C@H](OC)c2cnn(C)c2)C1 1184609792 UIJRFKMLGWPHCI-HUUCEWRRSA-N 320.393 -0.052 30 20 DBED C=CCCN[C@@H]1CCN(C(=O)[C@@H]2CCN(C)S2(=O)=O)C1 1186235388 XWSJRIPNPOGALV-NEPJUHHUSA-N 301.412 -0.213 30 20 DBED COCC#CCN1C[C@@H]2CCN(C(=O)C[C@H](C)NC(N)=O)[C@@H]2C1 1187912288 VOTBTWMAECOSOH-MELADBBJSA-N 322.409 -0.384 30 20 DBED C=CCNC(=O)CN1C[C@@H]2CCN(C(=O)Cc3cnc[nH]3)[C@@H]2C1 1189245870 GEFDRFQAJSEEBV-GXTWGEPZSA-N 317.393 -0.213 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 1190643321 ATAMFRKLAYIMFZ-CQSZACIVSA-N 320.437 -0.247 30 20 DBED C=CCOCCCC(=O)N[C@@H]1CN(C[C@H](O)COC)C[C@H]1O 1192053582 AJQGFVJDMDWZFL-BFHYXJOUSA-N 316.398 -0.862 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)c2ccsn2)C1 1194023759 OWGPHOJDIRASKF-YUSALJHKSA-N 324.406 -0.391 30 20 DBED CC(C)N(C)CC(=O)N1CC[C@@H](N(C)CC(=O)NCC#N)C1 1194284360 GTEQDQFJRXWBPW-CYBMUJFWSA-N 309.414 -0.501 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2cn(C)nn2)C[C@H]1O 1199315358 YAYCSXASFCMZGI-CYZMBNFOSA-N 309.370 -0.933 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)c2cnn(C)c2)C1 1199589478 ABJWIROQOUHDGO-NWANDNLSSA-N 320.393 -0.665 30 20 DBED C[C@@H](C#N)C(=O)N1CCCO[C@H](CNCC(=O)N2CCCC2)C1 1200116134 UJNLUFRZSSLIKB-UONOGXRCSA-N 322.409 -0.024 30 20 DBED C#CCNC(=O)[C@H](C)NC1CCN(C(=O)c2ncc[nH]2)CC1 1200414334 FLBWQUGCCCRUSD-NSHDSACASA-N 303.366 -0.258 30 20 DBED CCNC(=O)CNC[C@H]1CN(C(=O)C#CC2CC2)CCCO1 1200452247 FRXUIKIDXBPWOE-AWEZNQCLSA-N 307.394 -0.257 30 20 DBED CC#CCNC[C@H]1CN(C(=O)C2CS(=O)(=O)C2)CCCO1 1200582815 MHQUYORBFNDMMX-ZDUSSCGKSA-N 314.407 -0.739 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)[C@@H]2CCC(=O)NC2)CCCO1 1200866875 ZBWIVUAGQOKWGG-ZIAGYGMSSA-N 307.394 -0.257 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 1202496016 MKLWQYJFINYPFU-CQSZACIVSA-N 320.437 -0.342 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)c2ccncn2)CC1 1202991534 OEFPTRQRFIAXBV-UHFFFAOYSA-N 301.350 -0.580 30 20 DBED CNC(=O)NC(=O)[C@@H](C)NCC1CCN(C(=O)[C@H](C)C#N)CC1 1204811843 RJLUTJZWJZOXTA-GHMZBOCLSA-N 323.397 -0.182 30 20 DBED C=CCN1CC[C@@H](N2C[C@@H](NC(=O)CNC(C)=O)[C@H](C)C2)C1=O 1205766506 POLWGALRKJTIGV-MRVWCRGKSA-N 322.409 -0.654 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2n[nH]c(C)c2C)[C@H](C)C1 1206689491 BERVTBVTQMQCCY-ZWNOBZJWSA-N 317.393 -0.174 30 20 DBED C=CCOCCN[C@H]1CCCN(C(=O)CN2CC(=O)NC2=O)C1 1210183143 MHXYCOSKUBIPMD-LBPRGKRZSA-N 324.381 -0.679 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)C(F)F)[C@H](OC)C1 1211741304 LWGVPKRFICGLFY-OPRDCNLKSA-N 305.325 -0.242 30 20 DBED C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1NCCOCCO 1214464277 UHFHUNAYMYCLJE-BXUZGUMPSA-N 306.366 -0.055 30 20 DBED C#CCCCC(=O)N1CCO[C@@H]2CN([C@@H](C)C(=O)NC)C[C@@H]21 1217758698 QWGVLRJXQSSLLM-MELADBBJSA-N 307.394 -0.164 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)c2cnccc2C)C1 1219409448 IWDYWWAITAXMJN-CABCVRRESA-N 303.362 -0.185 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2cc(C)sn2)C1 1219516946 KWBRGKHGVAIECW-NEPJUHHUSA-N 324.406 -0.471 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)c2cc(OC)ncn2)C1 1219639637 BIQWSYYKUUYQBU-OLZOCXBDSA-N 322.365 -0.537 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)[C@H](C2CC2)N(C)C)C1 1219803771 FLQUBNIRKXNFPY-ILXRZTDVSA-N 311.426 -0.310 30 20 DBED N#CCNC(=O)CN1CC[C@@H]2CN(C(=O)Cc3ccon3)[C@@H]2C1 1221461750 XSEMULSEYIFOTR-DGCLKSJQSA-N 317.349 -0.610 30 20 DBED COCC#CCN1CC[C@@H]2CN(C(=O)[C@@H]3CCC(=O)N3C)[C@@H]2C1 1221740805 KDCXXLIXEPDKBJ-QLFBSQMISA-N 319.405 -0.210 30 20 DBED C#CCN[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)NS(=O)(=O)CC 1226382238 DKKDDLADZYBSNL-JHJVBQTASA-N 315.439 -0.036 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC(NC(=O)c2ncc[nH]2)CC1 1227232647 HNOIWAUUXIRGDW-LLVKDONJSA-N 303.366 -0.258 30 20 DBED Cn1cnn(CCC(=O)N[C@@H]2CCCC[C@H]2NCC#N)c1=O 1227720717 OALJDQAGNZNNCV-VXGBXAGGSA-N 306.370 -0.488 30 20 DBED C=CCNC(=O)CN1CCC[C@@H]1C1CCN(C(=O)C(N)=O)CC1 1230591791 JMPTVQOFYGPBCC-CYBMUJFWSA-N 322.409 -0.523 30 20 DBED C#CCN(CC)C(=O)C(=O)Nc1cnn(CC(=O)NC2CC2)c1 1319435777 MJLSCTZJSDLBIL-UHFFFAOYSA-N 317.349 -0.418 30 20 DBED C=C(C)CN1CCC(NC(=O)C(=O)N2C[C@H]3C[C@@]3(CO)C2)CC1 1322542800 ITLRFFAYFSIJNL-DYVFJYSZSA-N 321.421 -0.016 30 20 DBED C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[C@H](C#N)C1)S(C)(=O)=O 1325973088 DGIZYXCVFZUSOA-LPEHRKFASA-N 301.368 -0.656 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N(C)C[C@H]2CCCN2C)nn1 1326718014 DRISYQICKFBXPD-CYBMUJFWSA-N 320.397 -0.367 30 20 DBED C[C@]1(CNC(=O)C(=O)N2CCC[C@H](CC#N)C2)CCC(=O)N1 1328133173 QOHHOYQTUSRUQP-IAQYHMDHSA-N 306.366 -0.076 30 20 DBED C#CCCCNC(=O)C(=O)N1CCC(N2CCN(C)CC2)CC1 1331265898 UMIWIWAGQHLKJF-UHFFFAOYSA-N 320.437 -0.246 30 20 DBED N#C[C@H]1CSCCN1C(=O)Cn1ncn2nccc2c1=O 1361315507 JENLDLHJFNLRLS-VIFPVBQESA-N 304.335 -0.641 30 20 DBED CCCN1CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)CC1 1362223572 SMLYCMOICXFJDH-UHFFFAOYSA-N 305.338 -0.625 30 20 DBED Cc1ccn(CC(=O)NCC2CN(C(=O)[C@H](C)C#N)C2)c(=O)c1 1374831632 KWXNMQHATKMPLE-GFCCVEGCSA-N 316.361 -0.109 30 20 DBED CCN(C(=O)Cn1ncnn1)[C@H]1CCN(C(=O)[C@H](C)C#N)C1 1387978562 MBIHCJMUSBUMKT-MNOVXSKESA-N 305.342 -0.718 30 20 DBED CNC(=O)NCCC(=O)N[C@@H](C)CNC(=O)c1c[nH]c(C#N)c1 1410359160 ZPPRSDOPDVSDNZ-VIFPVBQESA-N 320.353 -0.560 30 20 DBED N#Cc1ncn(CCNC(=O)N2CCC(F)(F)[C@H](CO)C2)n1 1413816603 JDWPJIDXTPIFQH-VIFPVBQESA-N 314.296 -0.191 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1cnc2nccn2c1 1416780414 NENVPQHDUPIBNG-MWLCHTKSSA-N 316.321 -0.904 30 20 DBED N#Cc1ncn(CCNC(=O)N[C@H]2CCCC23OCCO3)n1 1427470314 JMIKDCCTTORDIU-JTQLQIEISA-N 306.326 -0.255 30 20 DBED C[C@H](C#N)C(=O)NCC[C@@H]1CCCCN1C(=O)Cn1cnnn1 1431153720 RSWNHDZJSXPQOD-NEPJUHHUSA-N 319.369 -0.280 30 20 DBED C=CCNC(=O)CNC[C@H]1CCCN1C(=O)[C@]1(F)CCOC1 1483943102 DLHLOGKRIPWNRG-DOMZBBRYSA-N 313.373 -0.002 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)CCN2CCCCC2)C1 1489359879 RBRFMFLUFBXWHV-MGPQQGTHSA-N 322.409 -0.290 30 20 DBED C#CCN(C)c1nnc([C@]2(O)CCOC2)n1C[C@@H]1CCOC1 1526344801 NWELUZDXKWGGOO-WFASDCNBSA-N 306.366 -0.008 30 20 DBED C[C@@H](CNC(=O)c1cc(C(N)=O)ccn1)CNC(=O)[C@H](C)C#N 1532298738 OXMUQLRXWPXYFV-NXEZZACHSA-N 317.349 -0.178 30 20 DBED C#CCNC(=O)CN1CC[C@@]2(NC(=O)CNC(=O)O)CCC[C@@H]12 1573310757 CFWWDOWZTZDNKH-ABAIWWIYSA-N 322.365 -0.883 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 1573585309 NZFHCIHLHWCACF-DTWKUNHWSA-N 313.325 -0.489 30 20 DBED Cn1cc(CC2CN(c3cnc(-c4nn[nH]n4)c(C#N)n3)C2)cn1 1581768096 DWAXKMBMHRSKHW-UHFFFAOYSA-N 322.336 -0.059 30 20 DBED Cn1nccc1[C@@H](O)CNc1cnc(C#N)c(-c2nn[nH]n2)n1 1592604241 QQVWIXUYFVZQFA-VIFPVBQESA-N 312.297 -0.593 30 20 DBED C#CCN1CCC(NC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O)CC1 1602721090 VFIOVOVIHYNGPT-QWRGUYRKSA-N 324.381 -0.639 30 20 DBED COCC[C@](C)(O)CNc1cnc(C#N)c(-c2nn[nH]n2)n1 1605079471 WOCJTEDKDTWJJL-LBPRGKRZSA-N 304.314 -0.272 30 20 DBED N#CCNC(=O)CNC(=O)C(=O)Nc1ccccc1C(=O)O 1608188188 PZSLWLXVCGLKAC-UHFFFAOYSA-N 304.262 -0.921 30 20 DBED N#Cc1ccccc1S(=O)(=O)N1CCCNC[C@H]1C(=O)O 1608219059 HRUGCCGVFIHZQN-NSHDSACASA-N 309.347 -0.005 30 20 DBED CC[C@](C)(C#N)C(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 1649801362 FTBUVCSSPOKCMC-GXFFZTMASA-N 315.395 -0.264 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@@H](NC(=O)Cn2ccnc2)C1 1715006377 FDZVERXANWSTRI-QWHCGFSZSA-N 303.366 -0.789 30 20 DBED C#CCN1CCN(CCNC(=O)[C@H](OC)[C@H]2CCOC2)CC1 1752371117 QAQMWHKSODJBKA-LSDHHAIUSA-N 309.410 -0.595 30 20 DBED C=CCNC(=O)CN[C@@H](CNC(=O)[C@@H]1CCN(C)C1=O)C1CC1 1752480417 MLYSXYKILCQBLQ-STQMWFEESA-N 322.409 -0.749 30 20 DBED C#CCNC[C@H]1CCN(C(=O)C[C@@]2(C)CCS(=O)(=O)N2)C1 1752957752 GBQLBZYDURWDSD-TZMCWYRMSA-N 313.423 -0.470 30 20 DBED C=CCNC(=O)[C@H](C)N(CC)CCNC(=O)[C@@H]1CCNC1=O 1753089861 OKSDXTCLZIIGFF-NWDGAFQWSA-N 310.398 -0.749 30 20 DBED CC(=O)NCCOCCN1CCC[C@@H]1CNC(=O)[C@@H](C)C#N 1753096672 DJOMWEKUNZGALQ-GXTWGEPZSA-N 310.398 -0.121 30 20 DBED C#CCNC(=O)CNCCN(C)C(=O)CCn1nc(C)cc1C 1753218289 JYNPBMWCXTYZHN-UHFFFAOYSA-N 319.409 -0.313 30 20 DBED CC(C)OCC(=O)N1CC[C@@H](CN(C)CC(=O)NCC#N)C1 1753357387 WNMORFAZHVMASV-ZDUSSCGKSA-N 310.398 -0.169 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)Cn2ncnn2)C[C@H]1C 1753754284 GKSQSKYKHQXAPJ-CHWSQXEVSA-N 306.370 -0.851 30 20 DBED C=CCNC[C@H](O)CNC(=O)[C@H]1COCCN1CC(F)F 1753922080 NLVZIWKFDMZVFJ-WDEREUQCSA-N 307.341 -0.795 30 20 DBED Cn1cnnc1COCC(=O)NCC1(NCC#N)CCOCC1 1754740962 UPTROHMSFVQFJD-UHFFFAOYSA-N 322.369 -0.890 30 20 DBED COCC#CCN1CC(O)(CNC(=O)CCCn2ccnc2)C1 1754781401 VPASHKXSIMCXRH-UHFFFAOYSA-N 320.393 -0.524 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H]1COCCN1Cc1cnn(C)n1 1754967792 PLPJMLJNHJKRBL-TZMCWYRMSA-N 321.381 -0.830 30 20 DBED C=CCn1cc(C(=O)NC[C@H](C)N(C)CC(=O)NC2CC2)nn1 1755318936 DPXYRSBYBPEHJI-NSHDSACASA-N 320.397 -0.207 30 20 DBED COCC#CCN1CCO[C@@]2(CCN(C(=O)c3cnn[nH]3)C2)C1 1755401006 DCAXNZYQYAJYPN-HNNXBMFYSA-N 319.365 -0.629 30 20 DBED C=CCNC(=O)[C@H](C)N[C@H](CO)CNC(=O)c1c[nH]c(C#N)c1 1755625329 JCAFCLIWHRUEKP-GWCFXTLKSA-N 319.365 -0.743 30 20 DBED C=CCCN[C@H](CO)CNC(=O)c1nc2ncc(C)cn2n1 1755631760 KMWXAKJSOPDCJK-NSHDSACASA-N 304.354 -0.311 30 20 DBED COCCN(CC#N)CCNC(=O)C[C@H]1CCCS1(=O)=O 1755839144 HNFOJDQMNWBMHX-GFCCVEGCSA-N 317.411 -0.458 30 20 DBED C=CCOCC(=O)NC1(CCO)CN(C(=O)C(C)(F)F)C1 1756077496 BFGNTLKGYQAONL-UHFFFAOYSA-N 306.309 -0.076 30 20 DBED C=CCOCC(=O)N1CC([C@H](C)NC(=O)Cc2n[nH]c(C)n2)C1 1756149411 BBGNXHJNNOKUOU-JTQLQIEISA-N 321.381 -0.179 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H]1C[C@H](NC(=O)C#CC(C)C)C1 1756249751 UCTZGTFONVUFSE-HDJSIYSDSA-N 317.389 -0.204 30 20 DBED C=C[C@](C)(O)CC(=O)N(C)C[C@H](C)NC(=O)CN(C)C(C)=O 1756448296 QAWNNAJJDWSBCG-NHYWBVRUSA-N 313.398 -0.245 30 20 DBED C#Cc1ccc(C(=O)N[C@H](CO)CNC(=O)c2cccnc2)cn1 1756500806 FGSBXCJIZHUICD-HNNXBMFYSA-N 324.340 -0.021 30 20 DBED C=CCOCC(=O)N(C)C[C@H](O)CNC(=O)c1nn(C)cc1C 1756655589 IDDSNVXFWFWQRN-GFCCVEGCSA-N 324.381 -0.520 30 20 DBED C=CCC1(C(=O)N2CC[C@H](NC(=O)CC(N)=O)[C@H](O)C2)CCC1 1757564686 XWWGZUDTYAQCPC-NWDGAFQWSA-N 323.393 -0.314 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cn(C)cn1)CCO2 1783049534 DFFBFVXPZGWJCI-HNNXBMFYSA-N 302.334 -0.503 30 20 DBED CC1(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)CC1 1783561469 SSYAWYZUXNNDCL-INIZCTEOSA-N 320.345 -0.296 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)c[nH]1)C2 1800453567 CZUKVBAZSSZNGD-JJLQDPRZSA-N 312.329 -0.277 30 20 DBED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)OC)CCO2 1840211480 DLUUYDNRNBBQKZ-SWLSCSKDSA-N 310.350 -0.889 30 20 DBED CN1CCC[C@H]1C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1841771800 JYJMFKAVXGQYJH-LBPRGKRZSA-N 319.361 -0.628 30 20 DBED N#CCCN(CCN1CCOCC1)C(=O)CCn1cncn1 162502770 GIHCGPGFQVXILJ-UHFFFAOYSA-N 306.370 -0.257 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@H]3CC[C@@H](C2)N3)C1=O 262649870 UPVYEHKZZQSMJQ-MNOVXSKESA-N 320.349 -0.684 30 20 DBED COCCOCCC/N=C(\N)N1CCN(c2ncccn2)CC1 264125450 SARLURGZTZVVQP-UHFFFAOYSA-N 322.413 -0.034 30 20 DBED N#Cc1cccc(NC(=O)N2CCN3C(=O)C(=O)NC[C@@H]3C2)c1 267512070 RFNYZFMGZRBLIE-GFCCVEGCSA-N 313.317 -0.267 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@@H](O)C(C)(C)C2)C1=O 279278028 KAXZEFKTGKDBTE-SECBINFHSA-N 309.322 -0.808 30 20 DBED C[C@@]1(C(N)=O)CCN(CCS(=O)(=O)c2ccc(C#N)cn2)C1 289591171 ZPERPDHYKYWYIJ-CQSZACIVSA-N 322.390 -0.076 30 20 DBED CC[C@H](C)N1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC1 295994876 MFISCHXLLGFFQU-NSHDSACASA-N 305.382 -0.124 30 20 DBED C#C[C@H](NC(=O)N1CCN(C(=O)Cn2cnnn2)CC1)C(C)C 298009790 OQPUHUGTCVGZMT-LBPRGKRZSA-N 319.369 -0.815 30 20 DBED N#Cc1cc(S(N)(=O)=O)ccc1NCCCc1nc(=O)[nH][nH]1 301560058 UJGYWXUQMIUSMI-UHFFFAOYSA-N 322.350 -0.338 30 20 DBED CC/N=C(/O)N1CC[C@@H](NC(=O)CNS(=O)(=O)CC)C1 330485566 AXGFOGNTFNVTSY-SECBINFHSA-N 306.388 -0.950 30 20 DBED C=CCCC(=O)N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 331042618 DELYOSRDWZZBBS-NEPJUHHUSA-N 302.396 -0.745 30 20 DBED Cn1c(N2CCC([C@@H]3CCNC3)CC2)c(C#N)c(=O)n(C)c1=O 333506095 IKWAJRNTYXSRFP-GFCCVEGCSA-N 317.393 -0.218 30 20 DBED C[C@@]1(C(N)=O)CCCCN1S(=O)(=O)N1CCO[C@H](C#N)C1 336895290 MPDCDXPKRSFCPA-PWSUYJOCSA-N 316.383 -0.815 30 20 DBED CC(C)OC(=O)[C@H](C)CNS(=O)(=O)N1CCO[C@@H](C#N)C1 337106281 ZVNXSHZVBMKZMW-MNOVXSKESA-N 319.383 -0.367 30 20 DBED C=CCN1CC[C@@H](N(C)CCCS(=O)(=O)N(C)C)C1=O 337204392 HSWYYPGVSDZUSS-GFCCVEGCSA-N 303.428 -0.013 30 20 DBED N#Cc1ccc(S(=O)(=O)NCCNc2cnccn2)cn1 337938527 WSBIMUFJKLJZPP-UHFFFAOYSA-N 304.335 0.134 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C)c2ccon2)C1=O 347649768 JHRULFSXBJZCFG-MRVPVSSYSA-N 306.278 -0.171 30 20 DBED C=CCOC[C@H]1NC(=O)N(C[C@@H]2CCCS2(=O)=O)C1=O 348579683 YDTIABPVAWELBQ-VHSXEESVSA-N 302.352 -0.313 30 20 DBED O=C(NCC#CCO)c1cccc(S(=O)(=O)NC2CC2)c1 352171593 LRKOIWIHTUHMLQ-UHFFFAOYSA-N 308.359 -0.147 30 20 DBED N#CCNC(=O)CNS(=O)(=O)c1cc(Cl)cnc1N 352528127 JTPULBMDDISWOG-UHFFFAOYSA-N 303.731 -0.765 30 20 DBED C[C@@H]1CN(CC(=O)NC2(C#N)CCCCC2)C[C@@H](C(N)=O)O1 363901634 UUMINZIJQXBLDQ-NEPJUHHUSA-N 308.382 -0.096 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N(C)[C@@H]1CCS(=O)(=O)C1 407951079 BJVPMFKDRFXMFK-NXEZZACHSA-N 309.413 -0.558 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1C[C@@H](C)C[C@@H](O)C1 416620320 XJRKQNYGHAKTRL-NWDGAFQWSA-N 305.400 -0.204 30 20 DBED C#CCNC(=O)CN1CCN(CCC(=O)N2CCC[C@H]2C)CC1 491695515 CEZLPPRSKXHKJW-OAHLLOKOSA-N 320.437 -0.246 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 491762018 YUSUBSGJGSUTIG-STQMWFEESA-N 315.439 -0.272 30 20 DBED C#CCN(C)CCCNC(=O)N[C@H]1CCN(S(C)(=O)=O)C1 491802463 GKDWNCMGIPIDRE-LBPRGKRZSA-N 316.427 -0.725 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)NCCN1CCO[C@H](C)C1 578084577 AZXIMPAIWSRITD-VXGBXAGGSA-N 304.416 -0.367 30 20 DBED CC(C)(O)[C@H]1CCCN1C(=O)C(=O)NC1CCN(CC#N)CC1 588125979 VRYPFPFYPVQFIV-CYBMUJFWSA-N 322.409 -0.148 30 20 DBED CN(CC1(O)CCCC1)C(=O)C(=O)NC1CCN(CC#N)CC1 588128671 FDDPVPNFENWXAV-UHFFFAOYSA-N 322.409 -0.146 30 20 DBED N#CC1CN(C(=O)Cn2cc(Br)c(O)nc2=O)C1 590489430 YHXCQSOEICNKIX-UHFFFAOYSA-N 313.111 -0.307 30 20 DBED CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CC[C@H](C#N)C1 591796679 SQGAPLINPYPEPT-YNEHKIRRSA-N 306.366 -0.078 30 20 DBED CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)N1CC[C@@](O)(CC#N)C1 592846920 SSWVEYVLQPVFPW-GWCFXTLKSA-N 317.411 -0.173 30 20 DBED CN1CCN(S(=O)(=O)c2ccc(C#N)c(F)c2)[C@H](CO)C1 601469196 LKPUUDMGSASSNV-NSHDSACASA-N 313.354 -0.006 30 20 DBED CN(CC(=O)NO)S(=O)(=O)c1ccc2c(c1)OCCO2 671996561 USACFDBILUDXEI-UHFFFAOYSA-N 302.308 -0.416 30 20 DBED C=CCNC(=O)CNC(=O)c1ccc(S(N)(=O)=O)c(C)c1 679119218 CETKCXPAGRKDPH-UHFFFAOYSA-N 311.363 -0.326 30 20 DBED N#CCNC(=O)COC(=O)CNC(=O)Cc1cccc(F)c1 731244048 GUGRNFXJYFNFNY-UHFFFAOYSA-N 307.281 -0.333 30 20 DBED C#Cc1ccc(C(=O)N(CCN2CCOCC2)CC(=O)O)nc1 736093032 PWAYNHMPPOYXDV-UHFFFAOYSA-N 317.345 -0.078 30 20 DBED CN(C)C[C@@H]1CCCN(c2c(C#N)c(=O)n(C)c(=O)n2C)C1 749392671 QDHNTPXGHQAVFV-NSHDSACASA-N 305.382 -0.266 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)CCN2CCOCC2)CC1 750851564 BHAIZAOOHAKNRJ-UHFFFAOYSA-N 324.425 -0.845 30 20 DBED N#CC1(CS(=O)(=O)NC(=O)[C@H]2COCCO2)CCCC1 779320362 WRUTXIDHHQEAMO-SNVBAGLBSA-N 302.352 -0.068 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCc2ccon2)C1=O 806398806 UBVYZXGFVNXAID-NSHDSACASA-N 306.322 -0.464 30 20 DBED C#CCCCNC(=O)C(=O)N(CC)[C@H](C)CS(C)(=O)=O 806914988 HPTMWRCCBCZLIU-LLVKDONJSA-N 302.396 -0.202 30 20 DBED Cn1nnnc1SCCC(=O)N[C@H]1CCCN(O)C1=O 816758411 OXIYNUKKOVXPQV-ZETCQYMHSA-N 300.344 -0.811 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCC[C@@H](CCC(=O)O)C1 817110741 MKGWMZJFXOJDFY-LBPRGKRZSA-N 310.350 -0.144 30 20 DBED Cc1nc(CN2CCN(C(=O)[C@@](C)(C#N)CC(=O)O)CC2)n[nH]1 821171433 SYDROFNVLLEDBP-CQSZACIVSA-N 320.353 -0.238 30 20 DBED O=C(NCCN/C(O)=C1/N=CC=CC1=O)NC1CN(C(=O)O)C1 831692908 CYNWAJBMSYOMMT-KHPPLWFESA-N 323.309 -0.826 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N1C[C@H](O)C[C@H]1C(=O)O 844794953 KNKRJMRHRMIRBD-BBBLOLIVSA-N 305.356 -0.767 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)Cc3nc[nH]n3)C2)[nH]1 937842649 LWJPCCWEIFUHAQ-JTQLQIEISA-N 313.321 -0.422 30 20 DBED CN1C[C@@H](C(=O)N[C@H]2CCN(C(=O)C#CC3CC3)C2)CCC1=O 938099129 QMAWVGPYUCBKKA-KBPBESRZSA-N 317.389 -0.015 30 20 DBED C#CCN1CC[C@H](NC(=O)Cn2ccc(O)nc2=O)[C@@H](C)C1 942313533 JFQBVHMBWCMKGV-RYUDHWBXSA-N 304.350 -0.591 30 20 DBED O=C(NC1CCN(C(=O)C#CC2CC2)CC1)[C@@H]1COCCO1 946690697 SKZKVFDLBHBNPJ-AWEZNQCLSA-N 306.362 -0.078 30 20 DBED C=CCN1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C[C@H]1C 947324449 SMSFYLGWEFXCDM-MNOVXSKESA-N 306.370 -0.468 30 20 DBED N#Cc1ccc(C(=O)NC[C@@H]2CCCN2C(=O)CC(N)=O)[nH]1 955934870 LXOGJZDBPFNJOY-JTQLQIEISA-N 303.322 -0.517 30 20 DBED C#CCCN1C[C@@H](O)[C@H](CNC(=O)c2cccn3nnnc23)C1 958092169 NUUVBOFTWFWWCA-DGCLKSJQSA-N 314.349 -0.830 30 20 DBED C#CCCN1C[C@H](O)[C@H](CNC(=O)c2c(C)ncnc2O)C1 958345345 NDIIOJXTEIWENV-NEPJUHHUSA-N 304.350 -0.464 30 20 DBED O=C(NC[C@H]1COCCN1C(=O)C#CC1CC1)c1cc[nH]n1 964088464 LBCVGBCGVWMGEE-LBPRGKRZSA-N 302.334 -0.220 30 20 DBED CCCn1nccc1C(=O)N[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1O 965255274 FBMBOVAQOJGISW-WZRBSPASSA-N 319.365 -0.246 30 20 DBED C=CCN1CC[C@@H](N[C@@H]2CCN(C(=O)c3ncn(C)n3)C2)C1=O 968583769 QZWPWDQWGJHSDK-VXGBXAGGSA-N 318.381 -0.594 30 20 DBED CC#CCN1C[C@H]2CC[C@H]1CN2C(=O)C[C@@H]1CC(=O)NC1=O 972182102 HRQPRSBHZDRFJE-RWMBFGLXSA-N 303.362 -0.262 30 20 DBED CN(CC#N)[C@H]1CCN(C(=O)c2cn(C[C@@H]3CCOC3)nn2)C1 972637075 FLDDMECQSIFBIT-STQMWFEESA-N 318.381 -0.016 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)c3c[nH]c(C(N)=O)c3)C2)C1 972678141 UQZBTRGUGZRQMH-INIZCTEOSA-N 316.361 -0.336 30 20 DBED C=CCCN1C[C@@H](NC(=O)CN2CCNC(=O)C2)C(C)(C)C1 974913618 OYGIJVYFVKOGQW-CYBMUJFWSA-N 308.426 -0.179 30 20 DBED C[C@H](C(N)=O)N1C[C@@H]2C(CNC(=O)c3cc(C#N)c[nH]3)[C@H]2C1 977972333 CXBJJMYFVIICPU-GGZOMVNGSA-N 301.350 -0.332 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](CNC(=O)c2cn(C)c(O)n2)C1 983213531 YPHLSFSDJNOMSA-NXEZZACHSA-N 305.338 -0.136 30 20 DBED CN1CCC[C@H]1C(=O)N1CC(NC(=O)c2cc(C#N)c[nH]2)C1 990690409 BAGKHBZZQQHDSN-ZDUSSCGKSA-N 301.350 -0.079 30 20 DBED CN1CC[C@H](C(=O)N2CC(NC(=O)c3c[nH]c(C#N)c3)C2)C1 990933596 ZSFKPIYUICDJFT-JTQLQIEISA-N 301.350 -0.221 30 20 DBED CC1(C)CN(C(=O)[C@H]2CCS(=O)(=O)N2)C[C@H]1NCC#N 996643178 NNZIOUASDACHRD-NXEZZACHSA-N 300.384 -0.972 30 20 DBED C=C1CC(C)(C(=O)N2CC(NC(=O)c3nnc(O)nc3O)C2)C1 996743396 GUBWFVNGCOOGSS-UHFFFAOYSA-N 319.321 -0.420 30 20 DBED C#CCN[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 999144206 JZBOZRYXGRCGIE-CHWSQXEVSA-N 315.377 -0.024 30 20 DBED C=CCN[C@@H]1CCCN(C(=O)[C@H]2CCN(C)S2(=O)=O)C1 1000427216 MOTVDKQCSGJYEA-VXGBXAGGSA-N 301.412 -0.213 30 20 DBED N#Cc1c[nH]c(C(=O)NCC2CN(C(=O)Cn3cccn3)C2)c1 1001336694 QLKMXEVCCBYRJN-UHFFFAOYSA-N 312.333 -0.029 30 20 DBED C[C@@H](C#N)C(=O)N1CC([C@@H](C)NC(=O)c2c[nH]c(=O)cn2)C1 1006736482 FYJDIKBTIATINW-DTWKUNHWSA-N 303.322 -0.494 30 20 DBED CC#CCN1CCC[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C1 1007458583 ZOPYSTZLDNZNNB-ZDUSSCGKSA-N 318.377 -0.849 30 20 DBED C=CCN1CCC[C@@H](NC(=O)CN2CCS(=O)(=O)CC2)C1 1009493865 IFKFZQVUOKLJHX-CYBMUJFWSA-N 315.439 -0.517 30 20 DBED CCn1cc(C(=O)N2CCN(C(=O)C#CC3CC3)CC2)nn1 1011109150 QLLCLSGFNPPAHX-UHFFFAOYSA-N 301.350 -0.004 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@@]3(NC(=O)C(N)=O)CCC[C@@H]23)[nH]1 1014446919 SFKQZNXTULUWIB-ABAIWWIYSA-N 315.333 -0.375 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2cnn(C)n2)C1 1014768945 GNVXEQPSEUQJKQ-ZFWWWQNUSA-N 316.409 -0.397 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCN(CCn2cncn2)C1 1014779587 MQNWPCDBOYCFJI-CABCVRRESA-N 316.409 -0.434 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2coc(S(N)(=O)=O)c2)C1 1014984651 UUJUBERYCINIBJ-NSHDSACASA-N 311.363 -0.246 30 20 DBED O=C(C#CC1CC1)N1CC[C@H](NCc2nnc3n2CCOC3)C1 1018827852 ZZKFQNFZRSXDFS-ZDUSSCGKSA-N 315.377 -0.088 30 20 DBED C[C@H]1[C@@H](NC(=O)c2cc(C(N)=O)c[nH]2)CCN1C(=O)[C@H](C)C#N 1020536923 HBAZTWLIWQFNPA-YWVKMMECSA-N 317.349 -0.008 30 20 DBED CC#CCN1CCC[C@H](CNC(=O)c2cn(C)c(=O)nc2O)C1 1023744298 LCIMELLKHJSUAR-GFCCVEGCSA-N 318.377 -0.049 30 20 DBED Cn1ccc(C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2O)n1 1023786034 XVQCIFZROACVSG-CHWSQXEVSA-N 302.334 -0.865 30 20 DBED N#Cc1ccc(C(=O)NC[C@H]2CCCN2[C@@H]2CCNC2=O)[nH]1 1027831485 QHRPORDYFBDDGB-DGCLKSJQSA-N 301.350 -0.031 30 20 DBED CCCn1nnnc1CN1CC(NC(=O)c2ccc(C#N)[nH]2)C1 1030225297 VQVYRHMSCCPZTA-UHFFFAOYSA-N 314.353 -0.103 30 20 DBED C=CCCN1CCO[C@H](CNC(=O)c2nnc(O)nc2O)C1 1035432012 NAGUUEYVFSJTGH-SECBINFHSA-N 309.326 -0.711 30 20 DBED C[C@H]1CN(C(=O)c2nccnc2C(N)=O)CC[C@H]1NCC#N 1036286666 RHHAJWBRYMAINW-VHSXEESVSA-N 302.338 -0.461 30 20 DBED C=CCN1CC[C@H]2CN(C(=O)CN3C(=O)CNC3=O)CC[C@H]21 1036888436 IVFMQFHFJPUETP-NWDGAFQWSA-N 306.366 -0.353 30 20 DBED C#CCCN1CC[C@H]1CNC(=O)[C@H]1CC(=O)N(CCOC)C1 1038318656 RUXGJMKWNVPQSG-KBPBESRZSA-N 307.394 -0.305 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@]1(O)CCN(C(=O)c2ccon2)C1 1039722486 WUBOIBIWKYUKJA-ABAIWWIYSA-N 321.333 -0.594 30 20 DBED C[C@@H]1CN(C(=O)C(N)=O)CC[C@H]1CNc1cncc(C#N)n1 1040442289 OHCHDFTVMYDPSR-ZJUUUORDSA-N 302.338 -0.270 30 20 DBED Cc1nn[nH]c1C(=O)NC[C@@]1(O)CCN(C(=O)C#CC(C)C)C1 1040468288 WZXPDOICWPYYBG-HNNXBMFYSA-N 319.365 -0.534 30 20 DBED C=C[C@H](C)[C@@H](C)C(=O)N1CC(O)(CNC(=O)CNC(C)=O)C1 1041216575 ZUGNWCFHVVSQMF-WDEREUQCSA-N 311.382 -0.730 30 20 DBED C#CCN1CC[C@]2(CCN(C(=O)C[C@@H]3CC(=O)NC3=O)C2)C1 1041861833 URARBAOCFXXMKP-LRDDRELGSA-N 303.362 -0.403 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)c2cc(C)ncn2)C1 1042588640 JCPZZCKJLFESBS-UHFFFAOYSA-N 320.349 -0.709 30 20 DBED CN(C(=O)c1cc(C#N)c[nH]1)C1CN(CC(=O)NC2CC2)C1 1042589656 KEPOPHYNSSTZDN-UHFFFAOYSA-N 301.350 -0.079 30 20 DBED COc1cc(C(=O)NCC2(O)CN(C(=O)C#CC(C)C)C2)on1 1042688246 NZQPXIUGRAXYRZ-UHFFFAOYSA-N 321.333 -0.354 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CN(Cc2nnn(C)n2)C1 1042742335 MCBALOUDQBYSHW-OLZOCXBDSA-N 320.397 -0.166 30 20 DBED CO[C@@H]1CN(c2ccncc2C#N)C[C@H]1NC(=O)c1nc[nH]n1 1042870789 FRLQZIBBFJRVLF-ZYHUDNBSSA-N 313.321 -0.295 30 20 DBED CCC(=O)N[C@@H](C)C(=O)N1CC(O)(CNC(=O)C#CC(C)C)C1 1042943100 JLWBPTKCOYGECJ-LBPRGKRZSA-N 323.393 -0.750 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)c2c[nH]cc2C)C1 1043036142 KCSVLYFSUOWTQA-UHFFFAOYSA-N 319.361 -0.334 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)COC(C)C)C1 1043040184 OZZQOXOKPJGLPD-GFCCVEGCSA-N 312.366 -0.861 30 20 DBED CCc1nn(C)cc1C(=O)NCC1(O)CN(C(=O)[C@@H](C)C#N)C1 1043490139 ZIVJMMMHYJUQGN-JTQLQIEISA-N 319.365 -0.555 30 20 DBED C=C(C)C[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2cnn[nH]2)C1 1043815705 LGWWQWCHFBTZCO-SNVBAGLBSA-N 307.354 -0.290 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)CN2CCCCC2=O)C1 1043816133 JFTMDDADZMCANP-UHFFFAOYSA-N 323.393 -0.345 30 20 DBED C#CCCN1CC(N(C)C(=O)Cn2ncn3nccc3c2=O)C1 1043997637 IFNJEWNGOWUXFX-UHFFFAOYSA-N 314.349 -0.943 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)[C@@H]3[C@H]4COC[C@H]43)C2)cn1 1044386674 XOOHTPRXYLWKGG-SEBNEYGDSA-N 314.345 -0.489 30 20 DBED C#CCN[C@@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)[C@H](C)C1 1044819577 LJHNCTDTNLFHCL-GHMZBOCLSA-N 314.349 -0.367 30 20 DBED C=C[C@](C)(CC)C(=O)N1CC(O)(CNC(=O)C2(C(N)=O)CC2)C1 1045490611 PZLULULBBZXWFZ-CQSZACIVSA-N 323.393 -0.456 30 20 DBED C#CCCN1CCC(C)(NC(=O)c2nnc(O)nc2O)CC1 1045492258 CPAMWPNROZVOMC-UHFFFAOYSA-N 305.338 -0.110 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)CCN2CCCCC2)C1 1045560500 XLPVYPGZIXQSGD-ZDUSSCGKSA-N 322.409 -0.288 30 20 DBED CC(C)n1cc(C(=O)NCC2(O)CN(C(=O)[C@H](C)C#N)C2)nn1 1045572918 ASPBGCBFBQCIIJ-SNVBAGLBSA-N 320.353 -0.678 30 20 DBED C#CCN1CC[C@@H](N2CCN(C(=O)c3cnn(C)c3)CC2)C1 1046002588 ZICWHNKXDVSKCG-OAHLLOKOSA-N 301.394 -0.115 30 20 DBED C[C@@H](C(=O)N1CCN([C@@H]2CCN(CC#N)C2)CC1)n1cncn1 1046022312 PAKYITAWAPGIJG-UONOGXRCSA-N 317.397 -0.419 30 20 DBED CCn1ncc(C(=O)N2CCN([C@@H]3CCN(CC#N)C3)CC2)n1 1046026474 XQRDBCURBCSFOU-CYBMUJFWSA-N 317.397 -0.346 30 20 DBED C=C(C)CN1CC[C@H](N2CCN(C(=O)[C@@H]3CCNC3=O)CC2)C1 1046048664 BRNPFLRIODFIFX-LSDHHAIUSA-N 320.437 -0.083 30 20 DBED C[C@]1(NC(=O)c2ccc(-n3cnnn3)cn2)CCN(CC#N)C1 1046511018 DSGHTJFUZTUQOE-AWEZNQCLSA-N 312.337 -0.225 30 20 DBED C=CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2nccnc2C(N)=O)C1 1047619620 SQASTCWUMCRLLT-QWRGUYRKSA-N 319.365 -0.731 30 20 DBED CCO[C@@H]1CN(C(=O)C(N)=O)C[C@H]1CNc1ccc(C#N)nc1 1047925069 CCCJPEBFPRWRFT-ZWNOBZJWSA-N 317.349 -0.286 30 20 DBED C=C[C@@](C)(O)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cn[nH]c2)C1 1048350020 NDWOXHREQNYWIL-SLEUVZQESA-N 322.365 -0.620 30 20 DBED C=C(C)CN1CCOC[C@@H]1CNC(=O)c1nccnc1C(N)=O 1051237551 VJHMECYXTZLVRM-NSHDSACASA-N 319.365 -0.418 30 20 DBED C[C@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1CNC(=O)C#CC1CC1 1051923174 VSELCPCLTNVHDY-AAEUAGOBSA-N 316.365 -0.703 30 20 DBED CC#CCN1CCN([C@H]2CCN(C(=O)[C@@H]3COC(=O)N3)C2)CC1 1052018261 GGOKNGCMGAHIIY-KBPBESRZSA-N 320.393 -0.663 30 20 DBED C=CCOCC(=O)N1C[C@H](C)[C@H](CNC(=O)c2ncn(C)n2)C1 1052222077 WQTNPCZWOPXLKY-NWDGAFQWSA-N 321.381 -0.158 30 20 DBED N#CCN1CCC[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)CC1 1052946411 SFDWEJJMXBLFOI-MNOVXSKESA-N 300.384 -0.828 30 20 DBED N#CCN1CC2(C1)CN(C(=O)[C@H]1CCc3nn[nH]c3C1)CCO2 1053507979 VSVKLXLMSIDQLJ-NSHDSACASA-N 316.365 -0.654 30 20 DBED C=C(C)CN1CC2(CC[C@@H](CNC(=O)[C@@H]3CNC(=O)N3)O2)C1 1053655478 LZQFWQZEXUSDDD-RYUDHWBXSA-N 308.382 -0.407 30 20 DBED C=C(C)CN1CC2(C[C@@H](NC(=O)Cn3ncn(C)c3=O)CO2)C1 1053851983 DWFPQECJLSQQJQ-GFCCVEGCSA-N 321.381 -0.883 30 20 DBED C=CCN1CC2(C[C@@H](NC(=O)c3cc(C(N)=O)cn3C)CO2)C1 1053858553 KMLHJNSPJGIELB-GFCCVEGCSA-N 318.377 -0.117 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)[C@H]3C[C@H]3C(=O)N(C)C)CO2)C1 1053922623 FGVXVVPBWKMORC-FRRDWIJNSA-N 305.378 -0.697 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1COC2(C1)CN(CC(N)=O)C2 1053927525 DAIXAZKMSBTPMO-TUAOUCFPSA-N 309.366 -0.978 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@](CO)(NC(=O)c2cnsn2)C1 1055798222 NKYQTDPUOZWYLF-TVQRCGJNSA-N 323.378 -0.219 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@](CO)(NC(=O)CC(C)(C)O)C1 1055915231 VHHOZXQEDUQYJA-NHYWBVRUSA-N 311.382 -0.223 30 20 DBED Cn1cnc(C(=O)N[C@H]2[C@@H]3CN(c4cnc(C#N)cn4)C[C@@H]32)c1 1056185423 HMCMJQHIODJERO-YABSGUDNSA-N 309.333 -0.054 30 20 DBED CCn1ncc(C(=O)NC2[C@@H]3CN(c4cnc(C#N)cn4)C[C@@H]23)n1 1056204501 ZQVXBUATJQMBPM-GHMZBOCLSA-N 324.348 -0.176 30 20 DBED N#Cc1cncc(N2C[C@@H]3C(NC(=O)[C@@H]4CCC(=O)N4)[C@H]3C2)n1 1056262146 JDQCZOQAOLHVMM-DCAQKATOSA-N 312.333 -0.822 30 20 DBED N#Cc1cnc(N[C@@H]2CCN(C(=O)C[C@@H]3CCNC3=O)C2)cn1 1056716171 DSSKHFMCIDSCTK-WDEREUQCSA-N 314.349 -0.113 30 20 DBED C=C[C@](C)(CCOC)C(=O)NCCN(CCO)C(=O)COC 1056792341 LLJCZZPWMFADEL-OAHLLOKOSA-N 316.398 -0.201 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)c1cc(C#N)c[nH]1 1057291616 LLPTXDNOFBVZQD-UHFFFAOYSA-N 320.349 -0.360 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)C[C@](C)(O)C=C 1057450017 LVYSAPXDSFZUIU-OAHLLOKOSA-N 314.382 -0.547 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)[C@H]1C[C@@H]1C(F)F 1057482328 XVWQTSLHXGXYJI-UTLUCORTSA-N 303.309 -0.016 30 20 DBED N#Cc1nc(=N[C@H]2CCCN(C(=O)[C@@H]3CCC(=O)N3)C2)cc[nH]1 1057673191 UPQAFXWKXGDDIT-QWRGUYRKSA-N 314.349 -0.548 30 20 DBED COCc1nocc1C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N 1058108562 SUTNWKZCTUYKDQ-JTQLQIEISA-N 324.337 -0.469 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)C[C@H]1CCC(=O)N1C 1058281345 UEPJKGHFNBBDBM-NWDGAFQWSA-N 324.381 -0.906 30 20 DBED Cc1n[nH]c(C)c1C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N 1058654748 GSXFDUQPRBXUMB-VIFPVBQESA-N 307.354 -0.263 30 20 DBED C#CCO[C@H](C)C(=O)NCC[C@@H]1CCN(C(=O)CNC(C)=O)C1 1059053161 YGDILFZMSRBOEY-TZMCWYRMSA-N 323.393 -0.484 30 20 DBED N#Cc1cccnc1NC[C@H]1CCN(C(=O)Cn2cnnn2)C1 1060801906 CCHOUWWPARBSRN-LLVKDONJSA-N 312.337 -0.100 30 20 DBED C#CCNC(=O)CC(=O)N1CCOC[C@@H]1CNC(=O)[C@H](C)CC 1061313523 GKWUAUVUJNREMV-OLZOCXBDSA-N 323.393 -0.484 30 20 DBED C#CCNC(=O)CC(=O)N1CCOC[C@@H]1CNC(=O)CCC=C 1061408490 WCEGTEQVMRWOSW-ZDUSSCGKSA-N 321.377 -0.564 30 20 DBED CC(C)(C)C#CC(=O)NC[C@H]1COCCN1C(=O)c1cnn[nH]1 1061574774 CIORXEJQEZHOQB-NSHDSACASA-N 319.365 -0.189 30 20 DBED CN(C(=O)c1nnn(C)n1)[C@@H]1CCN(c2ccncc2C#N)C1 1063013695 XIWLUMYXXXNOPI-LLVKDONJSA-N 312.337 -0.172 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(NC(=O)[C@@H](C)NC(C)=O)CCC1 1063041662 BDHBRBOZMWGJJA-NEPJUHHUSA-N 323.393 -0.296 30 20 DBED N#Cc1nccc(N2CCC3(CCN(C(=O)C(N)=O)CC3)C2)n1 1063599789 FGBMGIRJQSYJJA-UHFFFAOYSA-N 314.349 -0.348 30 20 DBED Cc1cc(C(=O)N2CCO[C@H](CNC(=O)[C@H](C)C#N)C2)n(C)n1 1064918040 VJRIDEBMAOYTNF-ZYHUDNBSSA-N 319.365 -0.155 30 20 DBED C[C@]1(NC(=O)[C@H]2CNC(=O)N2)CCN(c2nccnc2C#N)C1 1065327406 XPVPWVXQRXXJHY-YGRLFVJLSA-N 315.337 -0.885 30 20 DBED N#Cc1cnc(N2CCOC[C@H]2CNC(=O)[C@@H]2CCOC2)cn1 1066469324 ASTOSKZEIIYBNI-DGCLKSJQSA-N 317.349 -0.294 30 20 DBED COCC(=O)N1CCC(O)(CNc2cnc(C#N)cn2)CC1 1067462407 BSBBPNCHBJOZEI-UHFFFAOYSA-N 305.338 -0.240 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](CNC(=O)c3ncccn3)C2)cn1 1067677347 CAYXLNLFZRGYGB-RISCZKNCSA-N 324.344 -0.030 30 20 DBED N#Cc1nccnc1NCC1CC(NC(=O)[C@@H]2CCC(=O)N2)C1 1067858803 UPCYQAWEONFRPW-ILDUYXDCSA-N 314.349 -0.066 30 20 DBED NC(=O)CC(=O)N1CC2(CC[C@@H](CNC(=O)C#CC3CC3)O2)C1 1068571698 SUCDELDHXSDQAZ-LBPRGKRZSA-N 319.361 -0.849 30 20 DBED C=C(C)C[C@@H](C)C(=O)NC[C@@H]1CCC2(CN(C(=O)C(N)=O)C2)O1 1068609295 VFSMTNSGGNAOLY-NEPJUHHUSA-N 323.393 -0.050 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1COC2(C1)CN(C(=O)c1cnsn1)C2 1069002904 IRDCQQZVDMICSQ-DTWKUNHWSA-N 321.362 -0.203 30 20 DBED Cc1cc(C(=O)N2CC3(C[C@@H](NC(=O)[C@@H](C)C#N)CO3)C2)n[nH]1 1069004639 XYRUEVPXUYPMPI-GXSJLCMTSA-N 317.349 -0.023 30 20 DBED CCc1nc(C#N)cc(N2CCC[C@@H](NC(=O)C(N)=O)[C@H]2C)n1 1069403600 BZYOWLOUIHKLLA-MWLCHTKSSA-N 316.365 -0.131 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CCCN(C(=O)CNC(N)=O)C1 1070405584 VHWHNBJLUAVBFI-QMTHXVAHSA-N 312.370 -0.911 30 20 DBED C#CCN1CCOC[C@H]1c1n[nH]c(CNC(=O)c2cnon2)n1 1070591964 WBHLNYZVJVXQSB-JTQLQIEISA-N 317.309 -0.876 30 20 DBED CC[C@@H](C(N)=O)N1CCNC(=O)CCN(C(=O)[C@@H](C)C#N)CC1 1070948527 PYXORUQKZBVUDM-RYUDHWBXSA-N 323.397 -0.940 30 20 DBED CC#CCN1CCNC(=O)CCN(C(=O)c2cn(C)nn2)CC1 1070960901 AMVWOZQYMGMZKB-UHFFFAOYSA-N 318.381 -0.898 30 20 DBED C[C@@H]1CC[C@@H](NC(=O)c2cnc(O)n(C)c2=O)CN1CC#N 1071734939 DIWJNZPFXBGXIO-NXEZZACHSA-N 305.338 -0.408 30 20 DBED C=CCOCC(=O)N1C[C@H](C)[C@H](NC(=O)c2cn(C)c(O)n2)C1 1071811997 PCJIUPPOKLIUHS-WDEREUQCSA-N 322.365 -0.095 30 20 DBED CC1(C)NC(=O)N(CC(=O)N2CC3(CCN(CC#N)C3)C2)C1=O 1073403912 GLTMWFMRUSSGTA-UHFFFAOYSA-N 319.365 -0.625 30 20 DBED C=CCCN1CCCO[C@@H](CNC(=O)c2nnc(O)nc2O)C1 1073679969 VSMAQLHGUCVNGQ-JTQLQIEISA-N 323.353 -0.320 30 20 DBED C#CCCN1CCCO[C@@H](CNC(=O)[C@@H]2CN(C)C(=O)N2)C1 1073727179 VITZEEBSUOKPGF-STQMWFEESA-N 308.382 -0.760 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)CN3CCCCC3=O)C[C@H]21 1074284791 SEMFIJDBNZHMDJ-HUUCEWRRSA-N 319.405 -0.066 30 20 DBED N#CCN1CCO[C@H]2CCN(C(=O)CCN3CCOCC3)C[C@H]21 1074360669 PFIQVGMHLSOSAA-CABCVRRESA-N 322.409 -0.466 30 20 DBED Cn1nc(C(=O)N2CC[C@@H]3OCCN(CC#N)[C@H]3C2)ccc1=O 1074400888 XAPLJTUUUKAZOS-STQMWFEESA-N 317.349 -0.781 30 20 DBED C=CCO[C@H](C)C(=O)NCC[C@H](C)NC(=O)Cn1nccn1 1077067624 GMJRWPMQMFCDES-NWDGAFQWSA-N 309.370 -0.120 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC(=O)N(CC(C)C)C2)C1 1077087734 ROIQNMUZEJKBDD-BFHYXJOUSA-N 307.394 -0.715 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCN(C)C2=O)C1 1077190524 GZYSNBQORCJQCQ-QJPTWQEYSA-N 315.801 -0.231 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)C2(n3cnnn3)CCCCC2)C1 1077506622 DVPOLHAZNKMULG-VXGBXAGGSA-N 319.369 -0.983 30 20 DBED CC(C)(C)N1CCC[C@@H](C(=O)N[C@@H]2CN(CC#N)C[C@H]2O)C1=O 1077550104 RPMKFGBMJDRCNM-YNEHKIRRSA-N 322.409 -0.292 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN([C@H](C)C(=O)N(C)C)C[C@H]2O)C1 1077645711 SLAXKWLLRYCNJG-JHJVBQTASA-N 309.410 -0.019 30 20 DBED CC(C)C(=O)N1CCCC[C@H]1C(=O)N[C@@H]1CN(CC#N)C[C@H]1O 1078222809 RANPEPVBGAHKPC-HZSPNIEDSA-N 322.409 -0.292 30 20 DBED C=CCOCC(=O)N(CC)C1CN(C(=O)[C@@H]2CCNC2=O)C1 1079493984 NYXXCTFCTMHKRD-GFCCVEGCSA-N 309.366 -0.616 30 20 DBED Cc1c[nH]nc1C(=O)NC1(CO)CCN(C(=O)[C@@H](C)C#N)CC1 1080851926 IXRIZHHLERGMSP-JTQLQIEISA-N 319.365 -0.039 30 20 DBED C#CCO[C@@H](C)C(=O)N(CC)CC1CCN(C(=O)C(N)=O)CC1 1081116189 CNIMKBMZNRKJDQ-LBPRGKRZSA-N 323.393 -0.403 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2cc[n+]([O-])cc2)C1 1081215001 MZGFGFPWHCQDPI-ZIAGYGMSSA-N 319.361 -0.165 30 20 DBED C#CCCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2nc[nH]n2)C1 1081652618 DERQVBLKPOSMOR-WDEREUQCSA-N 305.338 -0.843 30 20 DBED C=CCC1(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C(N)=O)C2)CCCC1 1081718896 JSLRTKQTDQHJJX-NWDGAFQWSA-N 323.393 -0.456 30 20 DBED C=C(C)CN1C[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)C2)[C@H](OC)C1 1081914316 LWRGNZXZHOZPFO-JHJVBQTASA-N 316.423 -0.187 30 20 DBED C=CCN1C[C@@H](NC(=O)c2ccnc3c2nnn3C)[C@H](OC)C1 1082070484 GVNRLTJOBUARPH-VXGBXAGGSA-N 316.365 -0.022 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H](C)CN1CCOCC1 1083275924 CSJLJFCSGBYXCQ-HRCADAONSA-N 321.421 -0.501 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCc3cnn(C)c3C2)C1 1083729016 ABAABUFSTTVUFO-XPKDYRNWSA-N 316.405 -0.290 30 20 DBED CCN(c1cnc(C#N)cn1)[C@H](C)CNC(=O)[C@H]1CCNC1=O 1089722968 LLEFRFWBCBJJET-PWSUYJOCSA-N 316.365 -0.185 30 20 DBED N#CCN1CC[C@H](NC(=O)Cc2n[nH]c3c2CCCC3)[C@@H](O)C1 1090265112 JWXADKGKFRBOEV-ZFWWWQNUSA-N 317.393 -0.094 30 20 DBED C#CCN1CC[C@H](NC(=O)c2ccn(CCN(C)C)n2)[C@H](O)C1 1090273151 SBMAGSNPMOLBKR-DZGCQCFKSA-N 319.409 -0.757 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cnc3nccnc3c2)[C@@H](O)C1 1090331977 PJYKSSYTHBATGT-JSGCOSHPSA-N 311.345 -0.177 30 20 DBED CC[C@H](C(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@H]1O)N(C)C 1090455420 UWAIQWRSGRBSPL-MGPQQGTHSA-N 317.393 -0.041 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(c2nccnc2F)C[C@H]1O 1090494906 MMGVRUUFMVBZSB-GHMZBOCLSA-N 308.313 -0.679 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2c[nH]c(C)cc2=O)[C@@H](O)C1 1090700258 ZRQUZJOZAOVJHB-ZFWWWQNUSA-N 303.362 -0.128 30 20 DBED N#CCN1CC[C@H](NC(=O)c2ccc(NC(N)=O)cc2)[C@@H](O)C1 1090783259 LCWIZJCQDXFFJF-STQMWFEESA-N 317.349 -0.134 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)CN2C(=O)CCC2=O)[C@H](O)C1 1090796625 QDBYRWGREWCTLO-VXGBXAGGSA-N 309.366 -0.737 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)c2cc(C(N)=O)ccn2)[C@H](O)C1 1090856508 FZDQDYXECACTKH-GXTWGEPZSA-N 318.377 -0.078 30 20 DBED C[C@@]12CN(CC#N)C[C@@H]1CN(C(=O)Cn1ccc(O)nc1=O)C2 1091829621 KTYZERLXVKBKET-ABAIWWIYSA-N 317.349 -0.747 30 20 DBED CN(C)CCC(=O)N[C@H]1CCN(c2cncc(C#N)n2)C[C@H]1O 1092175242 ZGWDDCSBTCVSFW-QWHCGFSZSA-N 318.381 -0.644 30 20 DBED C=CCN1CC2(C[C@H](NC(=O)Cn3ncnn3)c3nccn32)C1 1092367896 DEMSAKIIFRHCGD-NSHDSACASA-N 314.353 -0.672 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@@H]2CN(c3ncc(F)cn3)C[C@@H]12 1093265471 GHPWNMSTCIMQAO-GHMZBOCLSA-N 317.324 -0.694 30 20 DBED N#Cc1ccc(N2C[C@H]3C(NC(=O)CCn4cnnn4)[C@@H]3C2)cn1 1093294004 RBSLPIZBQPHDIM-CHWSQXEVSA-N 324.348 -0.419 30 20 DBED N#CCN1CC(OC2CCN(C(=O)[C@H]3CCCNC3=O)CC2)C1 1093545214 YZXDOUHCEPSMNZ-AWEZNQCLSA-N 320.393 -0.272 30 20 DBED CC#CCN1CC(n2cc(CNC(=O)[C@@H]3CCCN3C)nn2)C1 1094278476 IZXNMKRUMITMCE-HNNXBMFYSA-N 316.409 -0.132 30 20 DBED CCc1ocnc1C(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1 1094716469 ZIRZECBYDFKUQK-SNVBAGLBSA-N 317.349 -0.225 30 20 DBED CN1C(=O)CC[C@H]1C(=O)NCCCN=c1cc[nH]cc1C#N 1094722444 LRDVDOQVDXWAJF-ZDUSSCGKSA-N 301.350 -0.086 30 20 DBED C[C@@H](C(=O)NCCCNc1cncc(C#N)n1)S(C)(=O)=O 1094877111 LGZPYQXVCJORFJ-VIFPVBQESA-N 311.367 -0.300 30 20 DBED CNC(=O)NCC(=O)N1CC[C@@H](N(C)c2ccncc2C#N)C1 1095157183 QSOLEDQPQVHMKK-GFCCVEGCSA-N 316.365 -0.081 30 20 DBED CN(CCCNC(=O)C[C@H]1CCC(=O)N1)c1ccc(C#N)nn1 1095591507 CRZMSEPUQWQTDQ-LLVKDONJSA-N 316.365 -0.041 30 20 DBED Cc1ccc(C#N)c(N(C)CCCNC(=O)[C@H]2CNC(=O)N2)n1 1095715053 DWILYBGEAZBDJL-GFCCVEGCSA-N 316.365 -0.114 30 20 DBED C#CCN[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1C(F)(F)F 1099221940 VSGBOYREGWJWGG-RKDXNWHRSA-N 312.313 -0.357 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(Cc2cnn(CC)n2)C[C@H]1O 1099740296 ASAFHXQOTADGRJ-UONOGXRCSA-N 323.397 -0.448 30 20 DBED C=CCCCN1CC[C@H](NC(=O)CN2CCOCC2)[C@H](O)C1 1099779195 XSCVDEDFHQMYFN-LSDHHAIUSA-N 311.426 -0.164 30 20 DBED CN1CCO[C@@H](C(=O)NCCN(C)c2ccc(C#N)nn2)C1 1099996503 KQFQOMNCRAQACR-GFCCVEGCSA-N 304.354 -0.769 30 20 DBED C=CCC(C)(C)C(=O)N[C@@H]1CCN(Cc2nnn(C)n2)C[C@@H]1O 1100020963 VUZZEMZKSHEGBM-NEPJUHHUSA-N 322.413 -0.136 30 20 DBED COC(=O)NCC(=O)NC[C@@H]1CCN(c2cncc(C#N)n2)C1 1100948340 NLCSCPRNZIQFDA-JTQLQIEISA-N 318.337 -0.353 30 20 DBED C[C@@H](C#N)C(=O)NCC[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1C 1102785465 BXVUFXLZTQNCSX-HBNTYKKESA-N 309.370 -0.585 30 20 DBED COC(=O)NCC(=O)N(C)[C@@H](C)CNc1cncc(C#N)n1 1104475838 VVWBDJQIQQQTIJ-VIFPVBQESA-N 306.326 -0.037 30 20 DBED CC#CCN1CC(OC2CCN(C(=O)CC(=O)NC)CC2)C1 1105704452 WACVZTYSQSOLMK-UHFFFAOYSA-N 307.394 -0.162 30 20 DBED C#CCN1CCC(C(=O)NC[C@@H](O)CNc2ncccn2)CC1 1105880366 AKCISSMTHZTSNG-CQSZACIVSA-N 317.393 -0.289 30 20 DBED C#Cc1ccc(C(=O)NC[C@H](O)CN=c2cc[nH]cc2C#N)nc1 1105908086 HGTZOZVUONNDPH-CQSZACIVSA-N 321.340 -0.046 30 20 DBED N#Cc1cncc(NC[C@@H](O)CNC(=O)C23CCN(CC2)C3)n1 1105918096 WXKWKDPNNQQTHL-GFCCVEGCSA-N 316.365 -0.667 30 20 DBED N#Cc1cccnc1NC[C@@H](O)CNC(=O)Cc1ncc[nH]1 1105937338 JSJXLDBIWGAQPY-NSHDSACASA-N 300.322 -0.192 30 20 DBED COCC(C)(C)C(=O)NC[C@H](O)CNc1nccnc1C#N 1106023163 NSIMBKRDGJEPMC-SNVBAGLBSA-N 307.354 -0.090 30 20 DBED C[C@]1(C(=O)NC[C@@H](O)CNc2ccc(C#N)nc2)CCNC1=O 1106104708 PIDDIBUVSJAITD-WFASDCNBSA-N 317.349 -0.632 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)CCn1cnnn1 1106818237 ZZZAPONCKLJKHG-UHFFFAOYSA-N 315.341 -0.893 30 20 DBED N#Cc1nccnc1NC/C=C/CNC(=O)C1CS(=O)(=O)C1 1107359558 VVHNFLUDNZFBEL-OWOJBTEDSA-N 321.362 -0.523 30 20 DBED C[C@H](CNc1ccc(C#N)cn1)NC(=O)CN1C(=O)CNC1=O 1107761390 IFWLVCXWALACPD-SECBINFHSA-N 316.321 -0.578 30 20 DBED CC#CCN1CCO[C@](C)(CNC(=O)CS(=O)(=O)CC)C1 1108419820 RZCAACNBYGVBGS-CQSZACIVSA-N 316.423 -0.349 30 20 DBED C=CCN1CCO[C@@](C)(CNC(=O)[C@@H]2CCCN2C(N)=O)C1 1108439219 DSLZJKYZMRZYLW-WFASDCNBSA-N 310.398 -0.077 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)CCCC(=O)N(C)C 1108465717 YKASGOMHPZNJJE-NSHDSACASA-N 318.381 -0.055 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)COCCCC)CC2=O)C1 1108525913 RNLJHEJYNWPTBC-ZDUSSCGKSA-N 307.394 -0.162 30 20 DBED C[C@@H](CNc1cncc(C#N)n1)NC(=O)[C@H]1CCC(=O)NC1 1108776784 NWJIOLQUAZPCJU-UWVGGRQHSA-N 302.338 -0.209 30 20 DBED CN(C)S(=O)(=O)CC(=O)N1C[C@H]2C[C@@H](NCC#N)C[C@H]1C2 1108810436 YYECEQDLGLYLLN-QJPTWQEYSA-N 314.411 -0.630 30 20 DBED CC(=O)N1CC(C(=O)N[C@H](C)CN(C)c2ccnc(C#N)n2)C1 1108918075 VLUABKHLGPAZQT-SNVBAGLBSA-N 316.365 -0.233 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H](C)COC 1109057871 UZMHVUKOEKYFHG-CRWXNKLISA-N 307.394 -0.260 30 20 DBED C[C@H](CC(=O)N[C@H](C)CN(C)c1ccc(C#N)nn1)NC(N)=O 1109096584 DOUMLXZYRRMEBQ-NXEZZACHSA-N 319.369 -0.264 30 20 DBED CN(CCCN=c1cc[nH]cc1C#N)C(=O)Cn1cnnc1O 1109416868 BSJPWYOOVQBSOZ-UHFFFAOYSA-N 315.337 -0.367 30 20 DBED C=CCOCC(=O)NCC1(Nc2nccn3nnnc23)CC1 1110078831 FIJWRKVNHPNOPT-UHFFFAOYSA-N 303.326 -0.217 30 20 DBED CNC(=O)C1(C(=O)NCC2(N=c3cc[nH]cc3C#N)CC2)CC1 1110175780 YBCARCJAPQZLIS-UHFFFAOYSA-N 313.361 -0.038 30 20 DBED C[C@H](CC(N)=O)C(=O)N[C@@]1(C)CCN(c2cnc(C#N)cn2)C1 1110802461 OKAROVBZBZVZQF-BMIGLBTASA-N 316.365 -0.055 30 20 DBED CC(C)(O)CC(=O)NC[C@@]1(O)CCN(c2ccc(C#N)nn2)C1 1111065490 CYDGBETWDNWAMJ-HNNXBMFYSA-N 319.365 -0.433 30 20 DBED Cc1ncc(C(=O)N(CCO)CCN=c2cc[nH]cc2C#N)[nH]1 1111428020 LANIGBQFXPVYPQ-UHFFFAOYSA-N 314.349 -0.047 30 20 DBED CNC(=O)CC(=O)N[C@H]1CCN(c2nccnc2C#N)C[C@@H]1C 1112400678 PQOLYUSXAMOZIN-QWRGUYRKSA-N 316.365 -0.185 30 20 DBED C=C(Cl)CN1CCN(C(=O)CN(C)S(C)(=O)=O)CC1 1112914765 CKMLFIZMKKXWBW-UHFFFAOYSA-N 309.819 -0.226 30 20 DBED C#CCC1(C(=O)N2CCN(CC(=O)NC)CC2)CCOCC1 1112947999 VAZRUXSOKQMSCV-UHFFFAOYSA-N 307.394 -0.303 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@@]2(C)CCO[C@@H]2C)CC1 1113136539 AOMXJFCLBBQJCG-CJNGLKHVSA-N 307.394 -0.305 30 20 DBED C#CCOCCC(=O)NC1[C@@H]2CN([C@@H](C)C(=O)NCC=C)C[C@@H]12 1114262605 GZHLJQIGTPZPRR-BFHYXJOUSA-N 319.405 -0.237 30 20 DBED C#CCO[C@H](C)C(=O)NC1[C@@H]2CN(Cc3nc(C)no3)C[C@@H]12 1114271527 WSRQHIMUYFLZRV-YUSALJHKSA-N 304.350 -0.037 30 20 DBED CC#CCCCC(=O)NC1[C@H]2CN(Cc3nc(=O)n(C)[nH]3)C[C@H]12 1114711201 QMFZYNRSEAMWKF-RYUDHWBXSA-N 317.393 -0.152 30 20 DBED C=CCN1C[C@H]2[C@H](NC(=O)C[C@@]3(C)CCS(=O)(=O)N3)[C@H]2C1 1115176627 QXZUYKKCRDERPT-UVLXDEKHSA-N 313.423 -0.309 30 20 DBED C=CCOCCN1C[C@H]2C(NC(=O)c3c[nH]c(C(N)=O)c3)[C@@H]2C1 1115243864 WKCWVGLTAWSSGL-VXGBXAGGSA-N 318.377 -0.024 30 20 DBED C=CCCOCC(=O)NC1[C@@H]2CN([C@H](C)c3nnnn3C)C[C@@H]12 1115330773 SWMNIGFARKLLNP-IJLUTSLNSA-N 320.397 -0.090 30 20 DBED N#Cc1nccnc1N[C@@H](CO)CNC(=O)c1cc[n+]([O-])cc1 1121011535 XGEBEBOIMBRYJC-LLVKDONJSA-N 314.305 -0.816 30 20 DBED Cc1cc(C#N)nc(N[C@H](CO)CNC(=O)[C@@H]2CCCO2)n1 1121183117 JFDDJGNBYNTGFW-RYUDHWBXSA-N 305.338 -0.275 30 20 DBED Cn1cc(CC(=O)NC[C@@H](CO)Nc2cnc(C#N)cn2)cn1 1121189954 GHLQWCLTBQAABD-LBPRGKRZSA-N 315.337 -0.787 30 20 DBED Cc1nc(N[C@@H](CO)CNC(=O)[C@H](C)CC(N)=O)ccc1C#N 1122357088 SIXPJHZWTIMOOH-BXKDBHETSA-N 319.365 -0.338 30 20 DBED N#Cc1cnc(NC[C@@H]2CC[C@H](NC(=O)CC(N)=O)C2)cn1 1123755067 YRCPZPJEWPJWJL-ZJUUUORDSA-N 302.338 -0.080 30 20 DBED CN(C[C@H](O)CN(C)c1cnc(C#N)cn1)C(=O)c1cc[nH]n1 1125018445 VKYHXVSZLOGYRO-LLVKDONJSA-N 315.337 -0.359 30 20 DBED CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)c1c[nH]c(C#N)c1 1125981972 NOYWYGUKFDNKQZ-VIFPVBQESA-N 320.353 -0.560 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)c1cnc(N(C)C)cn1 1127285345 WXAUAXHFAYIANH-NSHDSACASA-N 320.397 -0.447 30 20 DBED C=CCNCc1nnc2n1CC[C@H](NC(=O)c1cnn[nH]1)CC2 1128005965 ODQBZABDOBHYRH-SNVBAGLBSA-N 316.369 -0.193 30 20 DBED C[C@@H](C#N)C(=O)NCc1cnn2c1CN(CC(=O)N(C)C)CC2 1128265340 XQUNCSCWRVBTSW-NSHDSACASA-N 318.381 -0.437 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)c1ccnn1CCOC 1130066274 QQZJXVXEDDARLU-LBPRGKRZSA-N 323.397 -0.460 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)[C@H]1CCn2ccnc2C1 1130484134 FULMYDXIULUSSJ-STQMWFEESA-N 319.409 -0.158 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2ncc[nH]2)CC[C@@H]1C 1132005990 DUCCXBDNVJHWIW-RYUDHWBXSA-N 303.366 -0.258 30 20 DBED C[C@H]1CC[C@H](NC(=O)CCCS(N)(=O)=O)CN1CC#N 1132252366 DFZRQHFODKDXKV-QWRGUYRKSA-N 302.400 -0.452 30 20 DBED C#CCNC[C@@H]1CN(C(=O)CS(=O)(=O)NC)CC[C@H]1C 1133332900 ARTIESQCZKZLHV-VXGBXAGGSA-N 301.412 -0.757 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)Cc1cc[nH]n1)NCC(=O)NCC#N 1133974554 NHNKTEYDZFXXDI-WDEREUQCSA-N 306.370 -0.535 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)C[C@H](C)NCCn1cncn1 1134129953 ABZJMENXCHQLHZ-STQMWFEESA-N 320.397 -0.710 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)c1cncnc1O 1134726972 WQXXFWHJSZRLRP-GHMZBOCLSA-N 319.365 -0.582 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)[C@@H]2CCCC(=O)N2C)C1=O 1149463691 GBMXJIMJHIMXKB-STQMWFEESA-N 322.409 -0.510 30 20 DBED C=CCO[C@@H](C)C(=O)NCCNCC(=O)Nc1cc(C)nn1C 1153160450 RGXTWNQAHBIWKX-LBPRGKRZSA-N 323.397 -0.036 30 20 DBED C#CCCN(CC)[C@H](C)CNC(=O)[C@@H]1CCN(C)S1(=O)=O 1155750949 AAQLLTKZAVZFNC-OLZOCXBDSA-N 315.439 -0.130 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)Cc2ccnn2C)C1=O 1157214043 NHWBUKMCHZKDSU-AWEZNQCLSA-N 319.409 -0.155 30 20 DBED C#CCOCCC(=O)NCCCNCC(=O)Nc1ccon1 1157846710 ZHUDGZKHNLDHGT-UHFFFAOYSA-N 308.338 -0.251 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1cncc(OC)c1C 1160963597 GJIPRHADELUBEW-UHFFFAOYSA-N 318.377 -0.142 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)c1c[nH]nc1CC 1161667286 MCSOJYQKMSFMGV-NSHDSACASA-N 305.382 -0.181 30 20 DBED C=CCNC(=O)CNCCCNC(=O)c1ccnc(OC)n1 1162305684 WBZGRVIKASZVSP-UHFFFAOYSA-N 307.354 -0.503 30 20 DBED C#CCCNCC1(CCNC(=O)c2cnc(O)n(C)c2=O)CC1 1166525709 UWEBWMMOYRFHQI-UHFFFAOYSA-N 318.377 -0.001 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)C23CCN(CC2)C3)C1=O 1171293287 GXUYEGCTNFSWSK-AWEZNQCLSA-N 320.437 -0.035 30 20 DBED C#CCNCCCCCCNC(=O)CN1C(=O)CN(C)C1=O 1180224149 SMOPHFAXJPSOQO-UHFFFAOYSA-N 308.382 -0.220 30 20 DBED CCCCNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)[C@H](C)C#N)C1 1181699006 UGRQXWKWHRLKSX-VXGBXAGGSA-N 323.397 -0.038 30 20 DBED C[C@@H]1CN(C(=O)c2cnc(O)n(C)c2=O)CC[C@@H]1CNCC#N 1184923156 KHZDORQZASSPLJ-GHMZBOCLSA-N 319.365 -0.303 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)C2CCN(C)CC2)C1 1185385881 WHDXIUVKQNHAGH-DZGCQCFKSA-N 320.437 -0.343 30 20 DBED N#CCNCc1cn([C@H]2CCCN(C(=O)c3nc[nH]n3)C2)nn1 1186010559 AKEJFHLCWYKODX-NSHDSACASA-N 315.341 -0.513 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)CCC2CCC2)C1 1192154652 BVOIQHJYWIMQOQ-ZIAGYGMSSA-N 307.394 -0.523 30 20 DBED C#CCN(C)[C@H]1CCN(C(=O)CCC(=O)N2CCOCC2)C1 1193879868 ZMJCKZDVJGGOHZ-AWEZNQCLSA-N 307.394 -0.209 30 20 DBED C#CCNC(=O)[C@H](C)N1CCCN(C(=O)CNC(=O)CC)CC1 1195349013 KBDRJXOKVMEGTL-ZDUSSCGKSA-N 322.409 -0.815 30 20 DBED C#CCNC(=O)[C@H](C)N1CCCN(C(=O)Cn2ccnc2)CC1 1198367929 FBNREZSMRNRMBU-AWEZNQCLSA-N 317.393 -0.445 30 20 DBED NC(=O)CN1C[C@@H](O)[C@H](NC(=O)CC#Cc2ccccc2)C1 1198945302 YPCCJRKUSIRJIJ-ZIAGYGMSSA-N 301.346 -0.925 30 20 DBED N#CCNC(=O)CNC[C@@H]1CN(C(=O)CC2CC2)CCCO1 1199673714 YBBRSGICZXIHBY-CYBMUJFWSA-N 308.382 -0.367 30 20 DBED C[C@@H]1CN(C)C[C@H](C(=O)N2CCCO[C@@H](CNCC#N)C2)O1 1200796394 XHVJSQADYYFFPP-HZSPNIEDSA-N 310.398 -0.564 30 20 DBED C#CCNC[C@H]1CN(C(=O)C(C)(C)CNC(C)=O)CCCO1 1201619809 BILLGHVFPXUITC-AWEZNQCLSA-N 309.410 -0.011 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)c2ncccn2)CCCO1 1201694435 GKXNRZCCKWIIPX-CQSZACIVSA-N 318.377 -0.053 30 20 DBED N#CCNC(=O)CN[C@@H]1C[C@@H](NC(=O)c2cocn2)C12CCC2 1202616676 ITBVYHVXNWVEEK-VXGBXAGGSA-N 317.349 -0.055 30 20 DBED C#CCOCCC(=O)N1C[C@H]2CC[C@H]1[C@@H](NCC(=O)NC)C2 1204332609 AUQHUSZAHKBNLQ-IHRRRGAJSA-N 307.394 -0.259 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(CCCCOC)C[C@H]1C 1206891861 LSAJJKSTNILYMZ-ZIAGYGMSSA-N 309.410 -0.011 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)Cn2cccn2)C1 1207298300 MNFLYVPVXXRLQH-ZDUSSCGKSA-N 303.366 -0.787 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)COCC2CC2)C1 1207498186 GMWJCMSDWCNZRQ-AWEZNQCLSA-N 307.394 -0.257 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 1209641343 ISMLRFXCGMQFBW-HUUCEWRRSA-N 320.437 -0.342 30 20 DBED C#CCN1C[C@@H](NC(=O)CCNC(=O)[C@H]2CCCO2)[C@H](C)C1 1211465711 LUVHGZLYFCFZNP-MGPQQGTHSA-N 307.394 -0.259 30 20 DBED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)CC1CCC1 1212073876 VGLBNRIIHVOHDI-CHWSQXEVSA-N 308.382 -0.368 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)c2cnc(C)[nH]2)C[C@H]1C 1214327148 MDHOOJKTDJOECA-ZWNOBZJWSA-N 303.366 -0.482 30 20 DBED COCC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cn[nH]c1 1217348698 CHHKOIZALURWNH-UONOGXRCSA-N 304.350 -0.415 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)COC[C@H]1CCCO1 1219073875 VSVGNOIRXZCDEM-HZSPNIEDSA-N 309.366 -0.383 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)C2CCCCC2)C1 1219111817 HVRXFSXUVOKHOB-CFVMTHIKSA-N 321.421 -0.134 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CN(CC(=O)Nc2nccs2)C[C@@H]1O 1219378884 HYTCUTIGNLQVHS-AEJSXWLSSA-N 323.378 -0.597 30 20 DBED CC(C)(C)C#CC(=O)N[C@@H]1CN(CC(=O)NCC2CC2)C[C@@H]1O 1219596391 SHVORHWPDXUBRN-KGLIPLIRSA-N 321.421 -0.277 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3ocnc3C)[C@@H]2C1 1221464304 OFILFOUTAAVZIL-CHWSQXEVSA-N 316.361 -0.121 30 20 DBED C=CCOCCN1CC[C@@H]2CCN(C(=O)Cn3ncnn3)C[C@@H]21 1222693937 JQUBENVHMBNPNI-KGLIPLIRSA-N 320.397 -0.202 30 20 DBED C[C@H](NS(C)(=O)=O)C(=O)NCC1CCN(CC#N)CC1 1224656970 PWGNTOTXQYEPLU-JTQLQIEISA-N 302.400 -0.724 30 20 DBED Cc1ncncc1C(=O)NC1CCN(CC(=O)NCC#N)CC1 1226252301 FKOIIGZMLXGXKC-UHFFFAOYSA-N 316.365 -0.381 30 20 DBED N#CCN1CCS(=O)(=O)[C@@H](CCNC(=O)c2cocn2)C1 1230436204 MSTZVNPSUPMGHZ-JTQLQIEISA-N 312.351 -0.583 30 20 DBED CCS(=O)(=O)NCCN1CC[C@@H]1CN(C)C(=O)[C@@H](C)C#N 1231294453 YKOWDATZCPYKAJ-NWDGAFQWSA-N 316.427 -0.382 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)Cc2nc3ncccn3n2)C1=O 1321197499 HSTXWSNSFUPEIY-LLVKDONJSA-N 314.349 -0.088 30 20 DBED C=C(C)COCCNC(=O)C(=O)N1C[C@H](C)O[C@H](COC)C1 1323604293 URLUUNMVZZOPBS-STQMWFEESA-N 314.382 -0.042 30 20 DBED C=CC1CCN(C(=O)C(=O)NC[C@H]2CC[C@H](C(N)=O)O2)CC1 1325546964 LQGIESRZHAWZRI-VXGBXAGGSA-N 309.366 -0.440 30 20 DBED Cc1cc(NC(=O)C(=O)N(CCO)CCCO)ncc1C#N 1326744296 RGTUMVYVXXKROW-UHFFFAOYSA-N 306.322 -0.597 30 20 DBED Cn1ccn2c(Cn3cc4c(c(C#N)c3=O)CCC4)nnc2c1=O 1333147346 ZPOOTJOWJPPVDU-UHFFFAOYSA-N 322.328 -0.002 30 20 DBED C#Cc1ccc(NC(=O)C(=O)N2CCO[C@H](C(=O)NC)C2)cc1 1337193686 STTLCWLIVDIMFY-ZDUSSCGKSA-N 315.329 -0.420 30 20 DBED C=CCn1c(N(C)CCNC(C)=O)nnc1[C@@]1(O)CCOC1 1340773128 WAUMYJUWBBKEBP-CQSZACIVSA-N 309.370 -0.356 30 20 DBED N#C[C@@H](C(=O)N1CCS(=O)(=O)CC1)C(=O)[C@@]1(F)CCOC1 1343388262 ZQGAWKVVBZPCMA-BXKDBHETSA-N 318.326 -0.919 30 20 DBED COC(=O)[C@@H]1CN(C(=O)C(=O)NCCCCC#N)C[C@H](C)O1 1349706309 LSBFPYITBRPSKL-QWRGUYRKSA-N 311.338 -0.415 30 20 DBED CN(C)C(=O)O[C@H]1CCCN(C(=O)Cn2cnc(C#N)n2)C1 1362469595 YHACCPGEEUPYBW-JTQLQIEISA-N 306.326 -0.161 30 20 DBED C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)NCc1ccnc(C#N)c1 1362766144 LYLPOBCOBSHNLT-RNCFNFMXSA-N 302.334 -0.155 30 20 DBED N#C[C@H]1CN(S(=O)(=O)NCc2ncc3c(n2)CCC3)CCO1 1364009309 ROTGYAYUQWZREX-NSHDSACASA-N 323.378 -0.476 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNCc1ncnn1C(C)(C)C 1367579932 LMTXCHNDAXMYNF-MNOVXSKESA-N 308.386 -0.241 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1C[C@H](NCc2nnc3n2CCOC3)C1 1368551641 SQOVPZKZBGWKBS-SRVKXCTJSA-N 318.381 -0.048 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1csc2cncn12 1389127859 NDIBZXAKKGLMCB-RKDXNWHRSA-N 321.362 -0.238 30 20 DBED C[C@H](CNC(=O)c1ncn(C)n1)N(C)C(=O)c1cc(C#N)c[nH]1 1404342765 HCFFMHBMMBGLRN-SECBINFHSA-N 315.337 -0.095 30 20 DBED CCC[C@@H](NC(N)=O)C(=O)N1CCN(C(=O)[C@@H](C)C#N)CC1 1407056849 UCMPXWKKASAJOH-WDEREUQCSA-N 309.370 -0.346 30 20 DBED C[C@@H](C#N)C(=O)N1CC([C@@H](C)NC(=O)CS(C)(=O)=O)C1 1424473769 MFWVQJJAPVTWCK-DTWKUNHWSA-N 301.368 -0.846 30 20 DBED N#Cc1cn(CCC(=O)N=S2(=O)CCCC2)c(=O)nc1O 1434375330 VTWMKUWTUUMHHE-UHFFFAOYSA-N 310.335 -0.001 30 20 DBED Cc1nnc(N(C)Cc2nnc3n2CCNC3=O)c(C#N)c1C 1458592142 HFSSZQOCYCPVFU-UHFFFAOYSA-N 312.337 -0.064 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCNS(C)(=O)=O)C1CC1 1481161907 AXCKFKKTVLNQQD-SNVBAGLBSA-N 302.400 -0.724 30 20 DBED COC(=O)NCC(=O)N1CC[C@H]2CN(C(=O)[C@H](C)C#N)C[C@H]21 1489213101 VBPKZIFTKCZFPI-OUAUKWLOSA-N 308.338 -0.439 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)c2cc(C(N)=O)ccn2)C1 1494074893 ZEUUSKDBCKSGHT-LSJOCFKGSA-N 315.333 -0.283 30 20 DBED C=C(Cl)CN1CCN(CCNC(=O)CNC(=O)O)CC1 1573343186 BBYSLRLGICPYFY-UHFFFAOYSA-N 304.778 -0.260 30 20 DBED C[S@@](=O)C1(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)CCNCC1 1579354190 FCVSSSCMFCZBPB-MCMMXHMISA-N 324.450 -0.314 30 20 DBED N#Cc1nc(NC[C@@H](CO)[C@H]2CCOC2)cnc1-c1nn[nH]n1 1581880626 QIGIFTRXJGMOCX-IUCAKERBSA-N 316.325 -0.415 30 20 DBED C#C[C@H](CO)NC(=O)c1cc(-c2nn[nH]n2)cc(N(C)C)c1 1588328150 ZYCHRKDGHGIDAF-LLVKDONJSA-N 300.322 -0.343 30 20 DBED C#CCNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1C(=O)OC 1588358636 UJQWAQVBQGEAFD-UHFFFAOYSA-N 321.318 -0.435 30 20 DBED C=C[C@H](O)C(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)O 1588451949 FZABXPAHKXNXRX-BIIVOSGPSA-N 324.255 -0.344 30 20 DBED C[C@](C#N)(CC(=O)O)C(=O)NC1CC(NS(C)(=O)=O)C1 1588538651 LXLOJJVPNBXEFA-OIAXGBPSSA-N 303.340 -0.813 30 20 DBED C=CCOCC(=O)NC[C@@H](C)Nc1cnc(-c2nn[nH]n2)cn1 1588674564 PUJNNPMGNOLABP-SECBINFHSA-N 318.341 -0.224 30 20 DBED Cc1cc(F)cc(C#N)c1S(=O)(=O)NC[C@H](O)C(=O)O 1600230615 UAYWDUFNSLWMHQ-VIFPVBQESA-N 302.283 -0.270 30 20 DBED C#CC[C@H](NC(=O)c1cnn(-c2ccc(O)nn2)c1C)C(=O)O 1602693063 FHWMPODJARWWIZ-JTQLQIEISA-N 315.289 -0.117 30 20 DBED COCCOCCOCCn1c(C)nc(-c2nn[nH]n2)c1C#N 1605112447 XMDYMWMCKVBJJX-UHFFFAOYSA-N 321.341 -0.077 30 20 DBED N#CCc1cccc(C(=O)NCCn2cnc(-c3nn[nH]n3)n2)c1 1606351867 XFZYVOUNQYJCMU-UHFFFAOYSA-N 323.320 -0.046 30 20 DBED N#C[C@H]1CC[C@@H](NC(=O)C(=O)N2C[C@@H](C(=O)O)C[C@@H](O)C2)C1 1608190441 RVFQWHLVXFXJOK-UKKRHICBSA-N 309.322 -0.911 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N(C)Cc1nncn1C 1649798839 FJLAGWKPDWVVAA-JTQLQIEISA-N 300.388 -0.027 30 20 DBED CCc1nnc(N2CCO[C@@H](C#N)C2)n1Cc1nnn(C)n1 1694755150 YKQVDZAKGLTEKI-VIFPVBQESA-N 303.330 -0.859 30 20 DBED CCCNC(=O)NC(=O)CN(C)CCCNC(=O)[C@@H](C)C#N 1751953707 XGHPSIQVLVVQJJ-NSHDSACASA-N 311.386 -0.180 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@@H](NC(=O)[C@H]2C[C@@]23CCOC3)C1 1752771799 CEJAZYOCUBZWPC-OQMKEHIESA-N 305.378 -0.601 30 20 DBED CNC(=O)NC(=O)CN(C)[C@H]1CCCN(C(=O)C#CC2CC2)C1 1752991293 OSBBCBZFZAQESI-ZDUSSCGKSA-N 320.393 -0.222 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@H](CNC(=O)c2ccon2)C1 1753119261 LSUHOAZDABGHEU-NWDGAFQWSA-N 304.350 -0.136 30 20 DBED N#CCNC(=O)CN1CC(CNC(=O)c2coc(C3CC3)n2)C1 1753411127 CIQNESPLZAGVBL-UHFFFAOYSA-N 317.349 -0.147 30 20 DBED CC(C)(C)C[C@@H]1C[C@H]1C(=O)NC[C@H](O)CNCC(=O)NCC#N 1753919276 FFDBOGZTJYPVHB-YNEHKIRRSA-N 324.425 -0.235 30 20 DBED C=CCNC(=O)CN1CC[C@@H]1CNC(=O)[C@@H](C)n1cncn1 1754481012 PTKWBSACOLNXEI-VXGBXAGGSA-N 306.370 -0.668 30 20 DBED N#CCNC1CCN(CCNC(=O)c2c[nH]c(C(N)=O)c2)CC1 1754849735 DPKSKWMIYLTCNP-UHFFFAOYSA-N 318.381 -0.579 30 20 DBED C#CCNC(=O)CN1CCOC[C@H]1CNC(=O)c1conc1C 1754971341 LIUHMMTVTJXIHZ-GFCCVEGCSA-N 320.349 -0.837 30 20 DBED C=CCCN1CCN([C@H]2CCN(C(=O)[C@H](C)NC(N)=O)C2)CC1 1755016976 IRRJKLRWGPXVRO-KBPBESRZSA-N 323.441 -0.162 30 20 DBED C=CCOCCN1CC2(C[C@H](NC(=O)Cc3nc[nH]n3)CO2)C1 1755064943 BAGRQEALYVHSMP-LBPRGKRZSA-N 321.381 -0.491 30 20 DBED N#CCN[C@@]1(CO)CCCN(C(=O)[C@H]2CCCS2(=O)=O)C1 1755091276 IFIXJMYWMXJNLQ-YPMHNXCESA-N 315.395 -0.970 30 20 DBED CCNC(=O)CC(=O)N[C@@H]1CN(CC#CCOC)CC1(C)C 1755408470 WBGHIPSSDVLFEA-CYBMUJFWSA-N 309.410 -0.011 30 20 DBED C=C(C)CNC[C@H](O)CN(C)C(=O)c1cccn2nnnc12 1755780576 JDOBBIRDWFOIAY-NSHDSACASA-N 304.354 -0.277 30 20 DBED C#CCCNC[C@@H](O)CN(C)C(=O)[C@@H]1CCCc2nn[nH]c21 1755787440 VVTAGQKZYLYNFY-VXGBXAGGSA-N 305.382 -0.343 30 20 DBED C=C(C)CCNC[C@H](O)CN(C)C(=O)c1cn(C)c(=O)nc1O 1755794878 AMRUZYPWQWGMKQ-NSHDSACASA-N 324.381 -0.525 30 20 DBED CN(C[C@H](O)CNCC#N)C(=O)c1ccc2c(O)ncnc2c1 1755795773 JRGJDBGUORZQFQ-LLVKDONJSA-N 315.333 -0.119 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](C)N(C)C(=O)CCN1C(=O)CCC1=O 1756063340 JPFFBTSYBHSHTP-QWRGUYRKSA-N 322.365 -0.352 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@H](CO)NC(=O)[C@@H]1C[C@@H]2C[C@@H]2C1 1756515404 LHDXQQCRKXTYAO-OHHDELOUSA-N 310.394 -0.047 30 20 DBED COCCN(CCNC(=O)C#CC1CC1)C(=O)Cc1cc[nH]n1 1756726864 VAZCMURWEBAMLH-UHFFFAOYSA-N 318.377 -0.043 30 20 DBED CC(C)COCCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H](C)C#N)C1 1757029920 OHRUIPNJIFGKJZ-JHJVBQTASA-N 311.382 -0.103 30 20 DBED C=CCCC(=O)N1CC[C@H](NC(=O)CN2CCCC2=O)[C@@H](O)C1 1757558719 FHYNLXJVZGRKPW-STQMWFEESA-N 323.393 -0.347 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(C(=O)c2coc(C)n2)C[C@@H]1O 1757562778 JNIXAQDFJBWNLT-AAEUAGOBSA-N 323.349 -0.123 30 20 DBED C=CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC(=O)NC 1793287998 XLHZTTHALDDRRV-QHBPRCKVSA-N 309.366 -0.712 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccncn1 1796521865 HZSQSCPAQPJITR-GNXNZQSNSA-N 300.318 -0.687 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCCCN1C)C2 1800450826 OWIBBNNHKWGHEX-HLPPOEQASA-N 319.405 -0.307 30 20 DBED O=C(C#Cc1ccccc1)N1CC[C@H]2[C@@H]1CCN2C(=O)C(O)O 1847445893 IVJXEDDRSRGEPV-KBPBESRZSA-N 314.341 -0.449 30 20 DBED C=CCNC(=O)Cn1c(Cl)nc2c1c(=O)n(C)c(=O)n2C 10806928 SJPWUKZYOQEQCV-UHFFFAOYSA-N 311.729 -0.611 30 20 DBED Cc1ccc(C#N)cc1NC(=O)C(=O)NCCNS(C)(=O)=O 63825932 LOSKKRXHIMKLHG-UHFFFAOYSA-N 324.362 -0.529 30 20 DBED C#CC[C@@H](NC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1)C(=O)O 149693523 BSZOGNIALASVEW-JGVFFNPUSA-N 306.240 -0.010 30 20 DBED COCCn1c(N)c(C(=O)CN(C)[C@H](C)CC#N)c(O)nc1=O 268329680 WVWRAADCYZTQMB-SECBINFHSA-N 323.353 -0.406 30 20 DBED N#Cc1ccccc1S(=O)(=O)NC[C@@H]1CC[C@H](C(N)=O)O1 269843537 QFERGCQLFRLENF-WDEREUQCSA-N 309.347 -0.131 30 20 DBED C=CCOc1cccc(NC(=O)C(=O)N2C[C@H](O)[C@@H](O)C2)c1 277513294 LBKVPUNQJBTRMG-STQMWFEESA-N 306.318 -0.246 30 20 DBED C#CCN(CC#C)S(=O)(=O)CCOCCOCCOC 283351016 ZCZJIWCTAQUKCF-UHFFFAOYSA-N 303.380 -0.436 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@]2(O)CCC[C@@H]2C)C1=O 294079903 IGRSJGAAUPWNPO-ZUZCIYMTSA-N 323.349 -0.370 30 20 DBED C[C@@H]1CN(/C(O)=N/CCN2CCCS2(=O)=O)CC(=O)N1C 328705245 LADQZBAYWSNPJH-SNVBAGLBSA-N 318.399 -0.902 30 20 DBED CC(C)N1CC[C@H](N/C(O)=N/[C@@H]2CCS(=O)(=O)C2)C1=O 329286193 GUKMFNDFKRBMDB-ZJUUUORDSA-N 303.384 -0.314 30 20 DBED CS(=O)(=O)c1ccc(N=C(O)N[C@]2(CO)CCOC2)cn1 330903064 YDNSGIBFRXLHIG-LBPRGKRZSA-N 315.351 -0.228 30 20 DBED CC[C@H](N/C(O)=N/[C@H]1CC(=O)N(C)C1)C(=O)N1CCOCC1 331020874 OXCWKGXOUJMHKL-QWRGUYRKSA-N 312.370 -0.642 30 20 DBED CC(C)N1C[C@H](N/C(O)=N/CCNS(C)(=O)=O)CC1=O 331182426 MBSUJIWZEGIUQF-SECBINFHSA-N 306.388 -0.952 30 20 DBED C[C@@](C#N)(NC(=O)CN1CCOC[C@H]1c1nc[nH]n1)C1CC1 332754692 GSAVVGXXLJSGTE-FZMZJTMJSA-N 304.354 -0.014 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)NC[C@@H](O)COCC1CC1 337099976 UYPSNNPLGSUBCN-CMPLNLGQSA-N 305.400 -0.300 30 20 DBED C[C@@H]1CS(=O)(=O)C[C@H]1NS(=O)(=O)c1ccc(C#N)o1 341981975 TVNVCGNYRWJMKU-VXNVDRBHSA-N 304.349 -0.137 30 20 DBED COC(=O)CCN1CC[C@@H](NC(=O)c2ccnc(C#N)c2)C1=O 356598880 PZNBBXNPDCMVSL-GFCCVEGCSA-N 316.317 -0.153 30 20 DBED Cn1c(N[C@H](CO)C2CCOCC2)c(C#N)c(=O)n(C)c1=O 360182339 RSZCVWRBWUNKKI-LLVKDONJSA-N 308.338 -0.845 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1CC(O)(C2CC2)C1 369931856 ZUXNASUPCYPKEA-UHFFFAOYSA-N 303.384 -0.450 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 374109622 VWOYJNRODWAVNF-MEBBXXQBSA-N 306.366 -0.566 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@H]1CCCS(=O)(=O)C1 407954203 FQTAJLVNYOSQAO-QWRGUYRKSA-N 323.440 -0.120 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N[C@@H]2CCCN[C@@H]2C)nn1 424543336 JJELWKOWFBKCAF-ZYHUDNBSSA-N 306.370 -0.663 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CCC([C@H](C)N)CC2)nn1 424547496 OMRCWCXAKRBVAN-NSHDSACASA-N 320.397 -0.334 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCC[C@@H](C(=O)N2CCNCC2)C1 430665899 NOCJEMGFUOHFMS-ZIAGYGMSSA-N 308.426 -0.179 30 20 DBED Cc1c(C#N)cccc1NC(=O)C(=O)NC[C@H](C)S(N)(=O)=O 442348803 LLXVTXDNAOUGPG-QMMMGPOBSA-N 324.362 -0.402 30 20 DBED C[C@H]1CN(CCNc2c(C#N)c(=O)n(C)c(=O)n2C)CCO1 523077579 FHEZYFRZMFJISQ-JTQLQIEISA-N 307.354 -0.912 30 20 DBED N#C[C@H]1CN(S(=O)(=O)NCc2ccccc2CO)CCO1 554534176 WYEMWBLANCHOSL-ZDUSSCGKSA-N 311.363 -0.262 30 20 DBED CN1CCN(C(=O)C(=O)N(C)Cc2cccc(C#N)c2)CC1=O 556794033 OAHIGMZZKHTLNV-UHFFFAOYSA-N 314.345 -0.183 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(C)[C@H]2CCCOC2)C1=O 557457428 QEMWXESITUUKNL-JTQLQIEISA-N 309.322 -0.399 30 20 DBED COC(=O)[C@@H]1C[C@@H](O)CN([C@H](C)C(=O)NC2(C#N)CCC2)C1 592209207 WFPASEKTYTVXQF-IJLUTSLNSA-N 309.366 -0.207 30 20 DBED Cc1cc2c(NC(=O)C3(S(N)(=O)=O)CC3)n[nH]c2cc1C#N 593847177 AUWBDFGYCQIMAL-UHFFFAOYSA-N 319.346 0.503 30 20 DBED CC[C@@H](C#N)N(C)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O 594579633 OQCYABYCQSTPCH-QMMMGPOBSA-N 300.340 -0.993 30 20 DBED N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1CCNC1=O 594790473 JPSISTXQWJBNOY-QMMMGPOBSA-N 310.291 -0.367 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCC(=O)N(C)CC1 594866968 ZVMYGWVEVIBLAU-NSHDSACASA-N 302.400 -0.123 30 20 DBED C[C@@]1(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CCNC1 595984851 DICPTXUYEMBYHR-CQSZACIVSA-N 322.390 -0.295 30 20 DBED CN(CC(=O)N1CCCC1)C(=O)CNc1ccc(C#N)cn1 598395508 DADNEKRWSQANMW-UHFFFAOYSA-N 301.350 0.446 30 20 DBED COCCN(CCC#N)S(=O)(=O)NC1(C(N)=O)CCC1 619712470 FFIJXCZWJBBHOH-UHFFFAOYSA-N 304.372 -0.909 30 20 DBED C#CCNC(=O)CN(C)CC(=O)N1CCC[C@H](C(=O)OCC)C1 726185730 WYXBGBDUHHNVFG-ZDUSSCGKSA-N 323.393 -0.531 30 20 DBED C#CCN1CCN(C(=O)CN(CC=C)CC(=O)OCC)CC1 748815396 MLAQCFDTKFCVME-UHFFFAOYSA-N 307.394 -0.185 30 20 DBED COCCCN(C)C(=O)C(=O)NCCNc1ncccc1C#N 787776157 TULKFFLCHDMNEH-UHFFFAOYSA-N 319.365 -0.024 30 20 DBED C#CCOC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C 805694987 DHDDNCUDXUCCJU-UHFFFAOYSA-N 312.347 -0.164 30 20 DBED O=C(O)COc1ccc(C=Nn2c(O)nnc2O)cc1[N+](=O)[O-] 814232423 VSMJJNOCTXZJFJ-UHFFFAOYSA-N 323.221 -0.057 30 20 DBED C#CC[C@@H](CO)NC(=O)c1ccc(CN2C(=O)CNC2=O)cc1 820064906 OTNAPERKPXYRSP-ZDUSSCGKSA-N 315.329 -0.148 30 20 DBED C=CCn1cc(C(=O)OCC(=O)N2CCN(C(C)=O)CC2)nn1 830135341 BJAHPPHSYCXHJM-UHFFFAOYSA-N 321.337 -0.688 30 20 DBED Cc1nc2cc(O)nn2c(C)c1CC(=O)N[C@@H]1CNC[C@H]1C#N 834483986 BZPNJRZWIHTMFV-ZYHUDNBSSA-N 314.349 -0.178 30 20 DBED C#CCn1cc(CNC(=O)CN(C)CC(=O)NC(C)C)cn1 834606121 CUGYWTYYBHNJMO-UHFFFAOYSA-N 305.382 -0.411 30 20 DBED Cc1cc(C(=O)N[C@H]2CNC[C@@H]2C#N)c2c(O)nn(C)c2n1 844194960 OGVCBWPDYWENMF-WPRPVWTQSA-N 300.322 -0.176 30 20 DBED C#Cc1cccnc1N1CCN(CC(=O)NCCOC)CC1 853096352 YJHWXGRCCIUGJW-UHFFFAOYSA-N 302.378 -0.053 30 20 DBED C#CCCN(CCOC)C(=O)NCCCN1C(=O)CNC1=O 853702222 RHDMYWBLAXGQMA-UHFFFAOYSA-N 310.354 -0.390 30 20 DBED N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@@H]2COC(=O)C2)cc1 854556542 AZWFWRFLKORION-JTQLQIEISA-N 323.330 -0.732 30 20 DBED COc1ccc(CNC(=O)C(=O)N(C)C[C@@H](C)N)cc1C#N 861759989 YQRPFZYTYGMBEN-SNVBAGLBSA-N 304.350 -0.011 30 20 DBED CN(C)CCOc1cc(CNC(=O)NCC#CCO)ccn1 923776411 ZPGCUSKGVBHVHX-UHFFFAOYSA-N 306.366 -0.183 30 20 DBED C#CCN1CCC(NC(=O)CNS(=O)(=O)CCCC)CC1 928654626 JYSPCYIPYRTTHW-UHFFFAOYSA-N 315.439 -0.080 30 20 DBED C#Cc1cncc(C(=O)N[C@H]2CCN(C(=O)c3ncn(C)n3)C2)c1 938703073 MLCUQGTWAFBUJY-ZDUSSCGKSA-N 324.344 -0.164 30 20 DBED N#Cc1cc(C(=O)NC[C@@H]2CCCC[C@H]2NC(=O)C(N)=O)c[nH]1 946429064 ZFTSRTYDGZQYDG-JOYOIKCWSA-N 317.349 -0.224 30 20 DBED CC[C@H]1CN(C(=O)C(N)=O)CC[C@H]1NC(=O)c1cc(C#N)c[nH]1 948524081 BXSQLXQRZUJKQM-WDEREUQCSA-N 317.349 -0.271 30 20 DBED C=CCN1CCOC2(CCN(C(=O)Cn3cnnn3)CC2)C1 949291865 ZOQDUPFVBUFXLO-UHFFFAOYSA-N 306.370 -0.448 30 20 DBED NC(=O)C(=O)N1CCC([C@@H]2CCN(C(=O)C#CC3CC3)C2)CC1 952305620 UUZWOGDPFHDRJC-CQSZACIVSA-N 317.389 -0.028 30 20 DBED NC(=O)CC(=O)N1CC[C@@]2(CCN(C(=O)C#CC3CC3)C2)C1 953133827 BMJVFIURHLUZMX-MRXNPFEDSA-N 303.362 -0.274 30 20 DBED C[C@H](C#N)C(=O)N1CCC(N(C)C(=O)Cc2nc[nH]n2)CC1 954831353 BULFNYZAXNTXSD-SNVBAGLBSA-N 304.354 -0.044 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cncc3ncn(C)c23)C1 958153617 VNMPCCCGBJFYHM-SMDDNHRTSA-N 313.361 -0.376 30 20 DBED CC#CCN1C[C@H](CNC(=O)c2ccc(OC)nn2)[C@@H](O)C1 958571576 ZTFGQIUYSNXXHO-AAEUAGOBSA-N 304.350 -0.469 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cnccc2N(C)C)C1 958598595 KLGMRZDNSZCIQH-SWLSCSKDSA-N 302.378 -0.197 30 20 DBED N#Cc1ccc(C(=O)NC2[C@H]3CN(CC(=O)NC4CC4)C[C@H]23)[nH]1 958602192 VQBAXRSWPNTBOI-RYUDHWBXSA-N 313.361 -0.175 30 20 DBED C#CCN1C[C@H]2C(NC(=O)c3cnn(CCN(C)C)c3)[C@@H]2C1 962016791 LHJJUPAOJRBTLG-ZIAGYGMSSA-N 301.394 -0.262 30 20 DBED C#CCN1C[C@H]2[C@H](NC(=O)c3cn(C[C@H]4CCOC4)nn3)[C@H]2C1 962176145 MRROKSJGSMYFBJ-CXTNEJHOSA-N 315.377 -0.392 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CN(C(=O)c3ncc[nH]3)C[C@@H]2O)c[nH]1 962388800 HNKDXEGNVYFCMC-MNOVXSKESA-N 314.305 -0.775 30 20 DBED CO[C@@H](C)C(=O)N1CCOC[C@H]1CNC(=O)c1cc(C#N)c[nH]1 964147733 XVMMHBLKHNDYPT-CMPLNLGQSA-N 320.349 -0.122 30 20 DBED C[C@H]1CCN(CC#N)C[C@H]1NC(=O)CN1CCC(=O)NC1=O 968514774 XUYJGBMSISEVLN-WDEREUQCSA-N 307.354 -0.722 30 20 DBED CC#CCN1CCO[C@]2(CCN(C(=O)[C@H]3COC(=O)N3)C2)C1 972359041 WEQNGCPELSRMSR-IUODEOHRSA-N 307.350 -0.579 30 20 DBED C=CCCN1CCO[C@@]2(CCN(C(=O)Cn3ncnn3)C2)C1 972381923 USMWYDHQJRCOBS-AWEZNQCLSA-N 306.370 -0.448 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H](N(C)[C@@H](CC)C(N)=O)C2)nn1 972501638 PZMBMXROAMLJKA-AAEUAGOBSA-N 320.397 -0.126 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)C[C@@H]3CCC(=O)N3)C2)C1 972593544 NDUVWJFZYIAYJR-XJKSGUPXSA-N 305.378 -0.408 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3COC(=O)N3)C2)[nH]1 974045273 SPXHWMGGKJWMDK-WCABBAIRSA-N 317.305 -0.628 30 20 DBED CN(C[C@H]1CCN1C(=O)c1c[nH]c(C#N)c1)C(=O)c1nc[nH]n1 978195199 OTBLJCRPYMQVST-LLVKDONJSA-N 313.321 -0.009 30 20 DBED N#Cc1cc(C(=O)NC[C@H]2C[C@@H](NC(=O)c3nc[nH]n3)C2)c[nH]1 978739097 NXZAGMQCXCMQBA-WAAGHKOSSA-N 313.321 -0.057 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CCC(NC(=O)C(N)=O)CC1 980241907 OZESPLPOGWMDRP-TYUFSLCMSA-N 323.393 -0.004 30 20 DBED C#CCN(C)[C@@H]1CCN(C(=O)C[C@@]2(C)CCS(=O)(=O)N2)C1 980262119 DMBSDFOPIZRXLX-TZMCWYRMSA-N 313.423 -0.376 30 20 DBED CC1(C)NC(=O)N(CC(=O)N[C@@H]2CCC[C@@H](NCC#N)C2)C1=O 981503274 SBBDLGFLWHTSHO-GHMZBOCLSA-N 321.381 -0.143 30 20 DBED Cn1cc(CC(=O)N2CC(NC(=O)c3c[nH]c(C#N)c3)C2)cn1 990919117 CETPVBNLIWAHAW-UHFFFAOYSA-N 312.333 -0.197 30 20 DBED C=C1CCC(C(=O)N[C@@H]2CCN(C(=O)C(N)=O)C[C@@H]2O)CC1 991761256 WRLDFFVIVGVDNO-NEPJUHHUSA-N 309.366 -0.704 30 20 DBED C=C1CC(C)(C(=O)NC2CN(C(=O)C[C@H]3CC(=O)NC3=O)C2)C1 999261461 DWTTTWKEHBZQJK-SNVBAGLBSA-N 319.361 -0.278 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CCC(=O)N2C)C1 1000017266 MKLRQONUUUVRCB-AGIUHOORSA-N 321.377 -0.475 30 20 DBED C[C@H](C#N)C(=O)N1CC(CNC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 1004455923 QCPXVEVQOVBDIM-JLLWLGSASA-N 306.366 -0.378 30 20 DBED C#CCN1CCC(N(C)C(=O)c2nccnc2C(N)=O)CC1 1006376448 DFTUPGHOEPVOJQ-UHFFFAOYSA-N 301.350 -0.255 30 20 DBED N#CCN1CCC[C@H](NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 1007322498 VOTSCARSJIOTBB-RYUDHWBXSA-N 316.365 -0.133 30 20 DBED NC(=O)CC(=O)N1CCO[C@]2(CCN(C(=O)C#CC3CC3)C2)C1 1007653278 HBLHIQJEEHEEKC-INIZCTEOSA-N 319.361 -0.895 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2C(NC(=O)C(F)F)[C@H]2C1 1012643004 VHCWADOJXKRURG-DCAQKATOSA-N 311.332 -0.078 30 20 DBED C[C@H](C(=O)N1[C@H]2CC[C@H]1CN(CC#N)C2)N1C(=O)CCC1=O 1017600678 PJSAEWYEBRSSAK-WOPDTQHZSA-N 304.350 -0.277 30 20 DBED C#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(=O)n2[nH]cnc2n1 1018169809 NMKQOXFQAMVRFI-PHIMTYICSA-N 312.333 -0.660 30 20 DBED C=CCN1CC[C@H](N[C@H]2C[C@H](NC(=O)c3cnnn3C)C2)C1=O 1020118610 ZGHSDENOYRGZBT-SRVKXCTJSA-N 318.381 -0.548 30 20 DBED C=C(Cl)CN[C@H]1C[C@@H](NC(=O)CN2CCC(=O)NC2=O)C1 1022938819 JXESMJCYFYKQSC-AOOOYVTPSA-N 314.773 -0.082 30 20 DBED COCCn1cc(C(=O)NC[C@H]2CCCN(CC#N)C2)nn1 1023359763 AQUNYPCSFGFADC-GFCCVEGCSA-N 306.370 -0.110 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCCO3)C[C@H]2O)[nH]1 1023429171 NFVRUWGNNSROLZ-JHJVBQTASA-N 318.333 -0.633 30 20 DBED C=C1CCC(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3nc[nH]n3)C2)CC1 1025109746 QGBQSUVJHZNDIH-VXGBXAGGSA-N 319.365 -0.147 30 20 DBED Cc1nc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2O)c(C)o1 1025285272 CSSCTEJFVMWQFF-AVPPRXQKSA-N 306.322 -0.247 30 20 DBED CN1CCN(CC(=O)N2C[C@@H]3CC[C@H](NCC#N)[C@H]3C2)CC1=O 1026298447 PMUUEBDHIBLMNW-IHRRRGAJSA-N 319.409 -0.889 30 20 DBED C#CCN[C@@H]1CC[C@@H]2CN(C(=O)CN3C(=O)CN(C)C3=O)C[C@@H]21 1026415878 NDTPTVHHFGSWAB-FRRDWIJNSA-N 318.377 -0.660 30 20 DBED C=CCN[C@@H]1CC[C@@H]2CN(C(=O)c3cn(CC(N)=O)nn3)C[C@@H]21 1026425225 CMLKRXYIZINJNT-GRYCIOLGSA-N 318.381 -0.610 30 20 DBED C#CCNC1CCC(NC(=O)Cn2nc(C)n(C)c2=O)CC1 1026599854 SRZJFYIOUBHFMW-UHFFFAOYSA-N 305.382 -0.460 30 20 DBED C=CCCn1cc(C(=O)N2C[C@@H]3C[C@H]2CN3[C@@H](C)C(N)=O)nn1 1032675252 OCTIKWXNNCEBRE-SRVKXCTJSA-N 318.381 -0.373 30 20 DBED COc1c[nH]c(C(=O)NC[C@@H]2CN(CC#N)CCO2)cc1=O 1035453380 WSDMMFYQILUATF-SNVBAGLBSA-N 306.322 -0.662 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)CN3C(=O)CNC3=O)CC[C@@H]21 1036888671 MXTJSJIDEYHLFB-NEPJUHHUSA-N 304.350 -0.906 30 20 DBED C=CCCN1C[C@H]2C[C@H]1[C@H]2NC(=O)c1cnc(O)n(C)c1=O 1037539059 KLHSBLKGLCFXHU-USWWRNFRSA-N 304.350 -0.136 30 20 DBED CC[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)CC[C@@H]1NCC#N 1037987465 UYPJOOZVKQEMQU-MNOVXSKESA-N 307.354 -0.722 30 20 DBED C=CCO[C@@H](C)C(=O)NC[C@@]1(O)CCN(C(=O)c2cn[nH]c2)C1 1040160082 ALPGRFIVWFFXOD-NHYWBVRUSA-N 322.365 -0.306 30 20 DBED Cc1cc(CC(=O)N2CC[C@](O)(CNC(=O)[C@@H](C)C#N)C2)no1 1040763447 OSSMBEOYHWCJQB-BONVTDFDSA-N 320.349 -0.235 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(O)(CNC(=O)c2cccnc2)C1 1041195512 JOHCTKBWFCCNFY-HNNXBMFYSA-N 319.361 -0.288 30 20 DBED Cn1nc(C(=O)N2CC[C@]3(CCN(CC#N)C3)C2)ccc1=O 1041817863 NLTSFAOMKSDXBK-HNNXBMFYSA-N 301.350 -0.158 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)[C@H](C)OCC=C)C1 1042043123 GHPWICAJXLQASK-LBPRGKRZSA-N 312.366 -0.530 30 20 DBED C#CCN1CC[C@H]2CCN(C(=O)CCn3ncn(C)c3=O)C[C@H]21 1042162995 NDJGQQIWSQICJP-UONOGXRCSA-N 317.393 -0.472 30 20 DBED C#CCCCCC(=O)N1CC(O)(CNC(=O)CC(=O)NC)C1 1042722419 ILRPYPGJUBBIQX-UHFFFAOYSA-N 309.366 -0.994 30 20 DBED CC(C)(C)C#CC(=O)NCC1(O)CN(C(=O)[C@H]2CCC(=O)N2)C1 1042966163 POQXVUNHNQFBBB-LLVKDONJSA-N 321.377 -0.996 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)[C@@H]2CC2(F)F)C1 1043040661 VRIAJSKTDZBAFW-ZJUUUORDSA-N 316.304 -0.631 30 20 DBED CCc1ncncc1C(=O)NCC1(O)CN(C(=O)[C@H](C)C#N)C1 1043141444 IZTWOOSBJCZFHN-SNVBAGLBSA-N 317.349 -0.498 30 20 DBED C[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)C[C@H]1Nc1cnc(C#N)cn1 1043473687 KNODFLPKCXAJEJ-FBIMIBRVSA-N 315.337 -0.712 30 20 DBED CO[C@H](C)C(=O)N1CCO[C@@H]2CN(c3nccnc3C#N)C[C@@H]21 1043668964 GHEXRGZBFZPGHD-KGYLQXTDSA-N 317.349 -0.201 30 20 DBED CN(C(=O)[C@@H]1CNC(=O)N1)C1CN(Cc2ccc(C#N)cc2)C1 1043711905 VNRPNXQONJPIJL-AWEZNQCLSA-N 313.361 -0.118 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)c3cccnn3)C2)cn1 1044132496 BHPWBDDDLCXLAX-KGLIPLIRSA-N 310.317 -0.277 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)c2cnn(CC)n2)C1 1044456664 YIDQNNBBTWJLJZ-UHFFFAOYSA-N 321.381 -0.187 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)Cc2cnoc2)C1 1045110355 LENCKZJUCCZJEF-UHFFFAOYSA-N 305.334 -0.290 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(O)(CNC(=O)c2ncccn2)C1 1045209412 XDBSKFBSIRGYGO-AWEZNQCLSA-N 320.349 -0.893 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(O)(CNC(=O)[C@H](C)C#N)C1 1045559385 INTDTBZHTSAHKZ-AGIUHOORSA-N 321.377 -0.183 30 20 DBED C=CCN1CC[C@](C)(NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 1046668643 ILYNEEPFOXLNRT-HNNXBMFYSA-N 306.366 -0.536 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)C(=O)N2CC[C@@H](C)C2)C1 1047592831 JXAPHCFHDVLGED-RDBSUJKOSA-N 307.394 -0.618 30 20 DBED Cc1nc[nH]c1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C#CC2CC2)C1 1048828271 KKZDYBMFQAUDGR-STQMWFEESA-N 316.361 -0.225 30 20 DBED C=CCCN1C[C@H]2CN(C(=O)CN3CC(=O)NC3=O)C[C@H]2C1 1049117961 LHGCKZDZEFTLOK-TXEJJXNPSA-N 306.366 -0.496 30 20 DBED CN1CC(=O)N(CC(=O)N2CCC[C@@H]3[C@@H]2CCN3CC#N)C1=O 1049887767 WVYXFKVFGHBKMZ-NEPJUHHUSA-N 319.365 -0.531 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)c1cc(CN(C)C)on1 1050995523 FRUDLNMYCAJYIW-LBPRGKRZSA-N 306.366 -0.200 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)c1nnn(CC)c1CC 1051111743 YBEHGHSGRXMLRF-LBPRGKRZSA-N 305.382 -0.076 30 20 DBED CC#CCN1CCOC[C@@H]1CNC(=O)[C@@H]1CCC(=O)N(C)C1 1051259314 VFMHDXNJECLSRY-KGLIPLIRSA-N 307.394 -0.305 30 20 DBED C#CCCN1CCN([C@H]2CCN(C(=O)c3cnn[nH]3)C2)CC1 1052048251 PANCJHJEMYHMDL-ZDUSSCGKSA-N 302.382 -0.340 30 20 DBED C=CCOCC(=O)N1C[C@H](CNC(=O)Cn2cnnn2)[C@@H](C)C1 1052215977 UROZZKVZEJFFEP-RYUDHWBXSA-N 322.369 -0.914 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)CCc1cn(C)nn1)CCO2 1053552365 QSSPEYLPSJWJJO-UHFFFAOYSA-N 317.393 -0.316 30 20 DBED CN(C)c1ccc(C(=O)N[C@H]2COC3(C2)CN(CC#N)C3)nn1 1053985519 SITOLMCAHXMJFP-LLVKDONJSA-N 316.365 -0.361 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)[C@H]3CN(CC)CCO3)CO2)C1 1054014760 QSSSFNRTGLAGFT-LSDHHAIUSA-N 321.421 -0.310 30 20 DBED O=C(C#CC1CC1)N[C@@]1(CO)CCCN(C(=O)[C@@H]2CCOC2)C1 1055936115 CEZVTKLVOZRFFE-PBHICJAKSA-N 320.389 -0.094 30 20 DBED N#Cc1cncc(N2CCCN(C(=O)[C@H]3CCC(=O)N3)CC2)n1 1057106233 PXLGRSFUDNDMLV-GFCCVEGCSA-N 314.349 -0.334 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)[C@H]1CCC(=O)N1C 1057174867 LPPHBEPXPHHXIH-GFCCVEGCSA-N 311.382 -0.490 30 20 DBED CCn1ccnc1C(=O)N(CCO)CCNC(=O)[C@H](C)C#N 1057456842 LODSYYYQLYBCIR-LLVKDONJSA-N 307.354 -0.387 30 20 DBED C#CCO[C@H](C)C(=O)NCCN(CCO)C(=O)c1[nH]ccc1C 1057471786 CZFWDVAQRQCHSQ-CYBMUJFWSA-N 321.377 -0.088 30 20 DBED Cc1ccnn1CC(=O)N(CCO)CCNC(=O)C#CC(C)C 1057613150 DGUNWRVFKQJZSM-UHFFFAOYSA-N 320.393 -0.212 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)[C@H](C)c1ccnn1C 1057731191 QREXBROXAUNXEB-NWDGAFQWSA-N 321.381 -0.380 30 20 DBED C=CCCOCC(=O)N(CCO)CCNC(=O)CCOC 1057918881 DDDCCDVYPSAUCI-UHFFFAOYSA-N 302.371 -0.447 30 20 DBED C=CCCCC(=O)NCCN(CCO)C(=O)c1cnn(C)n1 1058094466 KHIPJLQYTBAUSH-UHFFFAOYSA-N 309.370 -0.278 30 20 DBED N#Cc1ccc(C(=O)NCCN(CCO)C(=O)c2cnco2)[nH]1 1058193064 DIRYOQGISHEKBV-UHFFFAOYSA-N 317.305 -0.261 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCOC[C@@H]1CNC(=O)C(F)F 1061173204 RAMPISMRPVVGIZ-TVQRCGJNSA-N 306.309 -0.078 30 20 DBED C=CCCC(=O)N1CCOC[C@H]1CNC(=O)c1cnn(C)n1 1061704129 GQSKBGKXOGQHRK-LLVKDONJSA-N 307.354 -0.262 30 20 DBED C=C(C)CCC(=O)N1CCOC[C@@H]1CNC(=O)[C@H]1CCNC1=O 1061748439 MFQIWLGVYYEERD-STQMWFEESA-N 323.393 -0.178 30 20 DBED C=CC(C)(C)C(=O)NC[C@H]1COCCN1C(=O)Cn1nccn1 1061752610 IILFGALFAIOMCD-LBPRGKRZSA-N 321.381 -0.166 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)C1(CN(C)C)CC1 1061846805 HRGVZXOOPWNWOK-QWHCGFSZSA-N 322.409 -0.169 30 20 DBED C[C@H](C#N)C(=O)N1CCCC[C@@H]1CNC(=O)CN1CCOCC1 1062333436 QZIDHKLPQCCOBH-ZIAGYGMSSA-N 322.409 -0.024 30 20 DBED N#Cc1nccnc1N1CC[C@@]2(CCN(C(=O)C(N)=O)C2)C1 1064641023 ZWFOJOGCFAGYIK-CQSZACIVSA-N 300.322 -0.738 30 20 DBED COCC(=O)N1CCO[C@@H](CNC(=O)CSCC#N)C1 1064753236 JLHMFEFYNWRNKC-JTQLQIEISA-N 301.368 -0.767 30 20 DBED N#Cc1nc(=NC[C@@H]2CCCN2C(=O)c2nccnc2N)cc[nH]1 1064876353 NHXBSFUOJPQGKH-JTQLQIEISA-N 324.348 -0.141 30 20 DBED C=CCCC(=O)N1CCO[C@@H](CNC(=O)CCn2ccnn2)C1 1064956280 VJSDOIRBWKTJLA-ZDUSSCGKSA-N 321.381 -0.022 30 20 DBED Cc1nc(CC(=O)N2CCO[C@H](CNC(=O)[C@@H](C)C#N)C2)n[nH]1 1065138405 OFXJSINNCYURJW-GXSJLCMTSA-N 320.353 -0.841 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2cccnn2)CCO1 1065513621 AQBRBJHGUDEOMM-GFCCVEGCSA-N 320.349 -0.364 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)Cn2ccnc2)C1 1065561228 PSOMOVXQCSEQES-RYUDHWBXSA-N 305.338 -0.614 30 20 DBED CC(=O)NCC(=O)N(C)CCCN(C)C(=O)c1ccc(C#N)[nH]1 1066661865 JJLZKCFJEOFPOW-UHFFFAOYSA-N 319.365 -0.057 30 20 DBED CN(C[C@@H]1CCCN1C(=O)CC(N)=O)c1cncc(C#N)n1 1067744138 QCIXPRQEKXUUHS-NSHDSACASA-N 302.338 -0.349 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1COC2(C1)CN(C(=O)C(C)(C)C(N)=O)C2 1069009428 ZRWOTNYFZKVSOR-NXEZZACHSA-N 322.365 -0.856 30 20 DBED C[C@@H]1C[C@H](N=c2cc[nH]c(C#N)n2)CN1C(=O)c1nccnc1N 1069055536 VPLGBAUSTWAPKA-ZJUUUORDSA-N 324.348 -0.143 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CCCN(C(=O)c2cnn[nH]2)C1 1070962340 DLIVCRLCHCFLSZ-QMTHXVAHSA-N 307.354 -0.147 30 20 DBED C=CCCC(=O)N[C@H]1CN(C(=O)CN2CCOCC2=O)C[C@H]1C 1072320922 MLFQEYOFJDYODH-OLZOCXBDSA-N 323.393 -0.226 30 20 DBED CC#CCN1CCCO[C@@H](CNC(=O)[C@H]2CCNC(=O)C2)C1 1073572288 WTUQKGMWUDLPGK-KBPBESRZSA-N 307.394 -0.257 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)[C@@H]2CN(CC)CCO2)C1 1073896289 OTPOWJLYEWGSTQ-GJZGRUSLSA-N 309.410 -0.453 30 20 DBED C[C@@H](CCNC(=O)CSCC#N)NC(=O)c1nnn(C)n1 1075679091 GDPBAOQPMGQYCL-QMMMGPOBSA-N 311.371 -0.909 30 20 DBED C=CCCn1cc(C(=O)N[C@@H]2CN(CC(N)=O)C[C@H]2C)nn1 1080585991 VZJAEEZSEURVSI-GHMZBOCLSA-N 306.370 -0.610 30 20 DBED C=C(C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](CNC(=O)CC(N)=O)C1 1081361031 XUSHAMOGPYOWBI-GHMZBOCLSA-N 311.382 -0.600 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)Cc2cc[nH]n2)C1 1081369449 XJCZCMMQPYJCAM-DGCLKSJQSA-N 306.366 -0.146 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2ccn(C)n2)C1 1081496212 GYCVKLYEMUPEHW-GXTWGEPZSA-N 318.377 -0.371 30 20 DBED C=CCCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)C2(C(N)=O)CC2)C1 1081717057 SVTZBRCFTMWTIG-VXGBXAGGSA-N 323.393 -0.456 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cc(C(N)=O)c[nH]1 1083234885 APAQYTVGZINAJF-QWHCGFSZSA-N 302.334 -0.728 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CCn1cnccc1=O 1083235862 ZELDYBAYZAHUNU-QWHCGFSZSA-N 317.349 -0.931 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@H]2CNC(=O)c3ccccc32)C1 1083527418 RZPFBPSZORBCPQ-ZNMIVQPWSA-N 313.357 -0.692 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)c2ccnc3[nH]nnc23)C1 1083630439 VAGRWWNRDQTQLY-MNOVXSKESA-N 302.338 -0.296 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)c2ccc(C(N)=O)[nH]2)C1 1083784244 KCXOUVVZLRQSCN-MNOVXSKESA-N 312.757 -0.359 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)c2ccc(NC(N)=O)cc2)C1 1084027456 IIGWVPIDYHCADF-KGLIPLIRSA-N 316.361 -0.025 30 20 DBED N#CCN[C@H]1C[C@@H](CNC(=O)[C@@]23C[C@H]4C[C@@H](C(=O)N2)[C@H]3C4)C1 1086130275 MGYJVOUQNLQLIR-JVGSQKHBSA-N 302.378 -0.091 30 20 DBED N#Cc1ccc(CN2CC[C@H](NC(=O)C(N)=O)[C@H](O)C2)s1 1090530117 AQPIPNWVESMZLM-WDEREUQCSA-N 308.363 -0.844 30 20 DBED C#CCCN1CC[C@@H](NC(=O)C2CCN(C(N)=O)CC2)[C@@H](O)C1 1090795897 LYQUTBGIMMTIAY-KGLIPLIRSA-N 322.409 -0.648 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1C[C@H](Nc2nccn3nnnc23)C1 1091444833 JLKSOXOFCSJKDA-GUBZILKMSA-N 300.326 -0.014 30 20 DBED N#Cc1cccnc1NCCCNC(=O)C1CC(=O)NC(=O)C1 1094495734 OAAOYMAVGUOSIT-UHFFFAOYSA-N 315.333 -0.076 30 20 DBED CC1(C)C[C@H]1C(=O)N1CCN(CC#N)[C@H]2CS(=O)(=O)C[C@H]21 1094627870 XNKFPDIYZJAXQP-SDDRHHMPSA-N 311.407 -0.134 30 20 DBED CS(=O)(=O)CCC(=O)N1CC[C@@H](Nc2cncc(C#N)n2)C1 1095087420 SXFQEZABQVTVAK-SNVBAGLBSA-N 323.378 -0.204 30 20 DBED COC(=O)NCC(=O)N1CC[C@H](N(C)c2cnc(C#N)cn2)C1 1095092276 ALXAFNPHDYZOPD-NSHDSACASA-N 318.337 -0.259 30 20 DBED N#Cc1cnc(N[C@@H](CNC(=O)[C@@H]2COC(=O)N2)C2CC2)cn1 1096659831 LNGCBDZGQMPNFD-QWRGUYRKSA-N 316.321 -0.237 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H](C)Nc1ccc2nnnn2n1 1098060902 CQQKHRITCPTUIZ-UWVGGRQHSA-N 303.326 -0.526 30 20 DBED C[C@H](CNC(=O)CN1CCCNC1=O)Nc1cnc(C#N)cn1 1098420678 SWJVXCWZLJBFAY-SNVBAGLBSA-N 317.353 -0.320 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)/C=C/C2CC2)[C@@H](O)C1 1099766998 TUJSWZCPQRJEPC-BEVHLOIGSA-N 307.394 -0.194 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCN(CCCCC)C[C@H]1O 1099788005 ANISQBSSLHNYEU-ZIAGYGMSSA-N 309.410 -0.133 30 20 DBED C#CCOCCC(=O)N[C@H]1CCN(Cc2nccn2C)C[C@H]1O 1099833566 YDGHZKWYGFRMCJ-UONOGXRCSA-N 320.393 -0.489 30 20 DBED C#CCN1CC[C@H](NC(=O)COCc2ccnn2C)[C@@H](O)C1 1099890232 OXADYCFWRKFZNM-KBPBESRZSA-N 306.366 -0.879 30 20 DBED Cn1ccc(CC(=O)NCC2CC(NCC(=O)NCC#N)C2)n1 1100315704 BATLLWRJWRCBHP-UHFFFAOYSA-N 318.381 -0.913 30 20 DBED C=C(C)CCNC1CC(CNC(=O)CNC(=O)CNC(C)=O)C1 1100454705 HSKAYAQITOFPGJ-UHFFFAOYSA-N 324.425 -0.311 30 20 DBED C#CCCN1C[C@@H]2CN(C(=O)CN(C)C(=O)COC)C[C@]2(C)C1 1101256242 MCEYZAKIODCEPS-PBHICJAKSA-N 321.421 -0.105 30 20 DBED COCC#CCN1C[C@@H]2CN(C(=O)[C@H]3CNC(=O)N3)C[C@]2(C)C1 1101344041 VXTNUYTVYXUPMM-IOASZLSFSA-N 320.393 -0.902 30 20 DBED CN(CCNc1cncc(C#N)n1)C(=O)C1CC(=O)NC(=O)C1 1101684100 YGTIEDPGWORRHQ-UHFFFAOYSA-N 316.321 -0.729 30 20 DBED CCC[C@@H](NC(N)=O)C(=O)N(C)CCN=c1cc[nH]c(C#N)n1 1101717997 HNNNPVHTMLHWGV-SNVBAGLBSA-N 319.369 -0.523 30 20 DBED CNC(=O)CC(=O)N(C)[C@@H]1CCN(c2ccc(C#N)nn2)C1 1102697236 AFERNNLZWYVMPW-LLVKDONJSA-N 302.338 -0.479 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H](C)CNc1nccnc1C#N 1103956732 WAVRHONMNSPXEW-NSHDSACASA-N 314.349 -0.348 30 20 DBED C[C@H](CNC(=O)c1nnn(C)n1)CNc1nccnc1C#N 1104181712 IENXDZKVLOHUGG-QMMMGPOBSA-N 301.314 -0.650 30 20 DBED C#CCCNCc1cn(C2CN(C(=O)Cn3cccn3)C2)nn1 1105155588 LOWIFBLTCKJIHW-UHFFFAOYSA-N 313.365 -0.329 30 20 DBED CC#CCNCc1cn(C2CN(C(=O)CN(C)C(C)=O)C2)nn1 1105170034 STTCBALAYQVGJE-UHFFFAOYSA-N 318.381 -0.747 30 20 DBED CC(C)[C@@H](CNC(=O)C(C)(C)C(N)=O)N=c1cc[nH]c(C#N)n1 1105234575 DBVOHMXNCUWILM-SNVBAGLBSA-N 318.381 -0.166 30 20 DBED C[C@H](NC(N)=O)C(=O)N(C)CCN(C)c1ccncc1C#N 1105379701 GYIPSXBWRXXKRU-JTQLQIEISA-N 304.354 -0.095 30 20 DBED Cc1cnc(C(=O)NC[C@H](O)CNc2nccnc2C#N)cn1 1105709410 MCSLFLLDRMQUEH-SNVBAGLBSA-N 313.321 -0.351 30 20 DBED N#Cc1cnc(NC[C@H](O)CNC(=O)COCC2CC2)cn1 1105718092 IRYIZVOOORWXIT-LBPRGKRZSA-N 305.338 -0.336 30 20 DBED CCc1nc(C(=O)NC[C@H](O)CN=c2cc[nH]c(C#N)n2)co1 1105800311 MBNKCOLTIVWXQN-SECBINFHSA-N 316.321 -0.477 30 20 DBED CC(=O)NC(C)(C)C(=O)NC[C@H](O)CNc1cnc(C#N)cn1 1105899003 XBBOOJKRUHLTNF-LLVKDONJSA-N 320.353 -0.848 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H](O)CNc1ccc(C#N)nn1 1105970614 KKAVZFKOERLUPV-PWSUYJOCSA-N 303.322 -0.724 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](O)CNC(=O)[C@]2(F)CCOC2)n1 1106073835 ZAXGVXYVHXNLJN-FZMZJTMJSA-N 323.328 -0.326 30 20 DBED Cc1cc(=NC[C@H](O)CNC(=O)CCN(C)C)c(C#N)c[nH]1 1106084985 JYBXPNMTRDXMPE-ZDUSSCGKSA-N 305.382 -0.476 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H](O)CNC(=O)[C@@]12COC[C@@H]1C2 1106144926 CQNHQRYJDUHPLF-HUBLWGQQSA-N 302.334 -0.699 30 20 DBED C[C@@H]1OCCO[C@@H]1C(=O)NC[C@@H](O)CN=c1cc[nH]cc1C#N 1106162337 YOQVSLZOMZAGRQ-JKOKRWQUSA-N 320.349 -0.932 30 20 DBED N#Cc1c[nH]ccc1=NC/C=C/CNC(=O)[C@H]1COCCO1 1107050706 JOSSUNORLOOKRQ-VSZDKKFSSA-N 302.334 -0.125 30 20 DBED CN(C)CCCC(=O)NCc1cn(C2CN(CC#N)C2)nn1 1107199403 JGXKDNTVMLYUFJ-UHFFFAOYSA-N 305.386 -0.384 30 20 DBED Cc1nonc1CC(=O)NCc1cn(C2CN(CC#N)C2)nn1 1107225894 KJUSZUFNKBIXIL-UHFFFAOYSA-N 316.325 -0.791 30 20 DBED CN1C[C@@H](C(=O)NC/C=C\CNc2ccc(C#N)nn2)NC1=O 1107450921 JAKPRHOYIRKSCU-QUCGXOGASA-N 315.337 -0.544 30 20 DBED C[C@H](CNc1nccnc1C#N)NC(=O)C1CC(=O)NC(=O)C1 1107831232 SUAHLELJFJGVBR-MRVPVSSYSA-N 316.321 -0.682 30 20 DBED C[C@H](CNc1cnc(C#N)cn1)NC(=O)C[C@@H]1CCNC1=O 1107978716 LFABDPXLECRCHO-ZJUUUORDSA-N 302.338 -0.209 30 20 DBED C[C@H](CN=c1cc[nH]cc1C#N)NC(=O)[C@@]1(C)CNC(=O)C1 1108016715 MYVLOKAGEMBTHI-MEBBXXQBSA-N 301.350 -0.182 30 20 DBED CC#CCN1CCO[C@](C)(CNC(=O)[C@H](C)S(C)(=O)=O)C1 1108026652 AZGICMWLTUJONM-GXTWGEPZSA-N 316.423 -0.350 30 20 DBED C[C@H]1CCCN(C(=O)C(=O)NC[C@]2(C)CN(CC#N)CCO2)C1 1108262074 CNOUUICJPSOWDQ-XJKSGUPXSA-N 322.409 -0.024 30 20 DBED C[C@@H](CNc1ncccc1C#N)NC(=O)CN1C(=O)CNC1=O 1108372968 DTTDSVLGNCKBJK-VIFPVBQESA-N 316.321 -0.578 30 20 DBED Cc1csc(=O)n1CC(=O)NC[C@@]1(C)CN(CC#N)CCO1 1108391321 XCRFMELQCOWYHT-AWEZNQCLSA-N 324.406 -0.051 30 20 DBED C=C(C)C(C)(C)C(=O)N[C@@H]1CC(=O)N(C2CN(CC(N)=O)C2)C1 1108561184 UAEDYXMQAZBWAC-LLVKDONJSA-N 322.409 -0.525 30 20 DBED COCC(=O)N(C)CC(=O)N1C[C@H]2C[C@H](NCC#N)C[C@H]1C2 1108699598 HBXRXBPMJVLRSG-RWMBFGLXSA-N 308.382 -0.416 30 20 DBED C=CCNC(=O)CN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cnon1)C2 1108781283 SGQIDTQMBWUTRK-SRVKXCTJSA-N 319.365 -0.046 30 20 DBED C[C@@H](CN(C)c1ccc(C#N)nc1)NC(=O)Cn1cnnc1O 1108944855 JJDJUMHZWYVNNC-JTQLQIEISA-N 315.337 -0.109 30 20 DBED N#Cc1ccc(NC[C@H](NC(=O)C2(C(N)=O)CC2)C2CC2)nn1 1109963676 MIHYUBLIUKURRA-NSHDSACASA-N 314.349 -0.080 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCO 1110155857 BDGNLGWCSBBEFF-AGIUHOORSA-N 324.425 -0.036 30 20 DBED COCCCC(=O)NC[C@]1(O)CCN(c2ccnc(C#N)n2)C1 1111050977 SHSFOJOZQAXCOF-OAHLLOKOSA-N 319.365 -0.168 30 20 DBED C[C@H](C#N)C(=O)N[C@@]1(CO)CCCN(c2cncc(C#N)n2)C1 1111342690 DSSXIPLHLBGLOV-ABAIWWIYSA-N 314.349 -0.045 30 20 DBED CC(=O)NCC(=O)N(CCO)CCNc1ccc(C#N)c(C)n1 1111421508 KXMKNOZZGDGELG-UHFFFAOYSA-N 319.365 -0.369 30 20 DBED COC[C@@H](C)C(=O)N[C@]12CCC[C@H]1CN(CC(=O)NCC#N)C2 1111658231 ZEHLWOUZUXKVSW-WWGRRREGSA-N 322.409 -0.121 30 20 DBED CNC(=O)CC(=O)N1C[C@H](C)[C@H](Nc2cncc(C#N)n2)C1 1112308939 PTYVTZOBBDEAPK-GXSJLCMTSA-N 302.338 -0.257 30 20 DBED Cc1ccc(C#N)c(N2C[C@H](CNC(=O)CC(N)=O)[C@@H](O)C2)n1 1112723302 UMPIMMIFYIZWKR-RYUDHWBXSA-N 317.349 -0.950 30 20 DBED C[C@@H](CNC(=O)c1nnn(C)n1)N(C)c1ccc(C#N)nn1 1113815104 UEGGUWFVAACUNO-QMMMGPOBSA-N 301.314 -0.874 30 20 DBED C[C@H](CNC(=O)[C@@]1(C)CCNC1=O)N(C)c1cncc(C#N)n1 1113872096 ICNDVIMHRBMSII-BMIGLBTASA-N 316.365 -0.185 30 20 DBED C=CCCC(=O)N[C@H]1[C@@H]2CN(CC(=O)NC(=O)NCC)C[C@@H]21 1114005129 OCKOUTMKWGUGHZ-YABSGUDNSA-N 308.382 -0.155 30 20 DBED Cc1cc(C(=O)NC2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]23)cnn1 1114176463 UQVQKKUJXFNRST-VXGBXAGGSA-N 314.349 -0.915 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)c3coc(C(N)=O)c3)[C@H]2C1 1114613997 VTUOFOCXLKXPEP-IMRBUKKESA-N 317.345 -0.312 30 20 DBED CS(=O)(=O)CC(=O)N[C@H]1C[C@H](CNc2nccnc2C#N)C1 1114740206 GEIUCXFTPYDPKB-MGCOHNPYSA-N 323.378 -0.300 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)[C@]3(C)CCC(=O)N3)[C@H]2C1 1114787420 SMSBUBMNHFVQRC-DMEJVMROSA-N 305.378 -0.649 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)c3cnn(C)n3)[C@@H]2C1 1114973502 XRXRUDZXHAPVPG-HBNTYKKESA-N 318.381 -0.834 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)c3ncccn3)[C@H]2C1 1115005679 PWFURFUJVLANGM-NDBYEHHHSA-N 315.377 -0.173 30 20 DBED CN(CCOCCNC(=O)[C@@H]1CCOC1)c1ccnc(C#N)n1 1115180705 UCQAGEAXGLUBCY-GFCCVEGCSA-N 319.365 -0.046 30 20 DBED C=C(C)COCCNC(=O)C(=O)NCCNC(=O)C(C)(C)C 1117180228 HIBVWOIMHIGDJL-UHFFFAOYSA-N 313.398 -0.026 30 20 DBED CCN(C(=O)NCC(=O)NCC#N)[C@H](C)CS(C)(=O)=O 1117431966 QTQGULJRWRRAAN-SECBINFHSA-N 304.372 -0.909 30 20 DBED C=CCN(CC=C)C(=O)C(=O)NC[C@H]1CC[C@H](C(=O)N(C)C)O1 1117632693 SGADYIMTZQWXNA-CHWSQXEVSA-N 323.393 -0.061 30 20 DBED Cc1ccc(C(=O)NC[C@@H](CO)N=c2cc[nH]c(C#N)n2)nn1 1121446018 GSMCCODWXFLZOK-JTQLQIEISA-N 313.321 -0.929 30 20 DBED COc1cc(C(=O)NC[C@H](CO)N=c2cc[nH]cc2C#N)on1 1121463478 HCQXIGMYVUIQHJ-SNVBAGLBSA-N 317.305 -0.425 30 20 DBED N#Cc1cccnc1N[C@@H](CO)CNC(=O)Cc1cnc[nH]1 1122622314 OPLNDOLFZOPMTH-GFCCVEGCSA-N 300.322 -0.192 30 20 DBED CC[C@@H](C(=O)N(C)C[C@@H](O)CNc1cncc(C#N)n1)N(C)C 1124453938 INKAWODOADUFBR-STQMWFEESA-N 320.397 -0.080 30 20 DBED Cc1conc1C(=O)N(C)C[C@H](O)CN=c1cc[nH]c(C#N)n1 1124489587 PGJDFLCADSJZNE-SNVBAGLBSA-N 316.321 -0.388 30 20 DBED C#CCOCCC(=O)N(C)C[C@H](O)CN(C)c1cc(F)ncn1 1125162550 RMGAKQLQMPSJGC-GFCCVEGCSA-N 324.356 -0.089 30 20 DBED C#CCOCCC(=O)NCCN[C@H](C)C(=O)NC(=O)NC1CC1 1127026978 CGCVXDTXAVOORT-LLVKDONJSA-N 324.381 -0.891 30 20 DBED C=C(C)[C@@H](CC(=O)NCCN[C@H](C)C(=O)NC(N)=O)OCC 1128539736 IWYBPSHSJMBKDT-GHMZBOCLSA-N 314.386 -0.353 30 20 DBED C=CCCC(=O)N[C@@H]1CN([C@H](CC)C(N)=O)C[C@@H]1n1ccnn1 1128821732 ZFMMZHUKWZNTOQ-UPJWGTAASA-N 320.397 -0.150 30 20 DBED C=CCOCCCC(=O)N[C@@H]1CN(CCO)C[C@@H]1n1ccnn1 1128870492 UKDMJOMCBLAYQD-KGLIPLIRSA-N 323.397 -0.405 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)CN(C)C2CCC2)C1 1129052524 IOQJGXFOZWHMCU-CABCVRRESA-N 316.409 -0.263 30 20 DBED CC#CCCCC(=O)N1C[C@H](n2ccnn2)[C@H](NCC(N)=O)C1 1129972587 CSYHXIGEJTWAMG-OLZOCXBDSA-N 318.381 -0.702 30 20 DBED C#CCCN1CCNC(=O)CCN(C(=O)CC(=O)N(C)C)CC1 1131385549 DOCDJJXIYBNXRR-UHFFFAOYSA-N 322.409 -0.862 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NCCNCc1cn(CC)nn1 1134817199 QBJCKQCHLMSBTM-AWEZNQCLSA-N 322.413 -0.025 30 20 DBED C=CCN[C@H](C)C[C@H](C)NC(=O)c1cn(C)c(=O)n(C)c1=O 1135613291 FAEWEBAGGDAQBJ-MNOVXSKESA-N 308.382 -0.244 30 20 DBED C#Cc1ccc(C(=O)NCCNCc2nnnn2C2CC2)cn1 1148383007 NUVNUXHEXQFPQI-UHFFFAOYSA-N 311.349 -0.096 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(Cc2nnnn2C)CCCO1 1149641167 ZMUJMCGVSXZWAU-ZDUSSCGKSA-N 320.397 -0.279 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)C[C@H]1COC(=O)C1 1156587161 VINKGAROLGZRAH-NWDGAFQWSA-N 311.382 -0.274 30 20 DBED C=CCNCC1(CCNC(=O)CN2C(=O)C(=O)N(C)C2=O)CC1 1167377857 ZDOABXNDIUVWGB-UHFFFAOYSA-N 322.365 -0.531 30 20 DBED CNC(=O)CCCC(=O)N1CC[C@@H]2OCCN(CC#N)[C@@H]2C1 1176995061 RUHZRZKINGINBZ-OLZOCXBDSA-N 308.382 -0.272 30 20 DBED C#CCCN1CCO[C@H]2CCN(C(=O)CCNC(N)=O)C[C@@H]21 1177143093 BEYZYWOKHOLLJK-STQMWFEESA-N 308.382 -0.630 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2ccnn2CC)C1 1182164179 NZICEFABSOEVEC-CHWSQXEVSA-N 317.393 -0.155 30 20 DBED C[C@@H]1CN(C(=O)COCc2ncnn2C)C[C@@]1(C)CNCC#N 1183042035 VTRKAKMFCKGROA-IUODEOHRSA-N 320.397 -0.071 30 20 DBED CCn1nnc(C)c1C(=O)N1CC[C@@H](NCC(=O)NCC#N)C1 1183215163 ZQFNVQBTKNTFCP-LLVKDONJSA-N 319.369 -0.950 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)C[C@@H]3CCOC3)[C@@H]2C1 1187407966 KYTYWVHJSHWZEC-SOUVJXGZSA-N 319.405 -0.305 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)[C@H]3OCC[C@H]3C)[C@@H]2C1 1189167185 DOAKNWOKFRTDOZ-CTASWTNQSA-N 319.405 -0.307 30 20 DBED CCN(C(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H](C)C#N)C1)C1CC1 1191881053 GKDSUHDCGLIPEV-RAIGVLPGSA-N 308.382 -0.682 30 20 DBED C=CCCN(C)[C@H]1CCN(C(=O)CNS(=O)(=O)N(C)C)C1 1192593960 CXLUGOIFPNXLAJ-LBPRGKRZSA-N 318.443 -0.509 30 20 DBED C=C(C)[C@H](CC(=O)N[C@@H]1CN(CCCO)C[C@H]1O)OCC 1193422414 REJFARROXVXJRC-MCIONIFRSA-N 300.399 -0.099 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1CN(Cc2nnnn2C2CC2)C[C@H]1O 1195286370 HBQSVYRBPJPALP-VXGBXAGGSA-N 320.397 -0.119 30 20 DBED CC1(C)CCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1O 1195366840 QIJGPGKBXOTAPO-YNEHKIRRSA-N 322.409 -0.386 30 20 DBED CC#CCCCC(=O)N[C@@H]1CN(CCn2cncn2)C[C@H]1O 1195484461 WYZLLFPHIWJANH-ZIAGYGMSSA-N 305.382 -0.367 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@@H]1CN(C(=O)C2CC2)CCCO1 1199672739 NJZPKUVUYSMKHR-TZMCWYRMSA-N 307.394 -0.259 30 20 DBED COCCn1cc(C(=O)N2CCCO[C@H](CNCC#N)C2)nn1 1200479986 VMWJSDQWGASSCY-GFCCVEGCSA-N 322.369 -0.731 30 20 DBED N#CCNC[C@@H]1CN(C(=O)[C@@H]2CCCCC(=O)N2)CCCO1 1201389853 NLAHDROKSCYVQX-OLZOCXBDSA-N 308.382 -0.224 30 20 DBED C=CCNC[C@@H]1CN(C(=O)CC[C@H]2NC(=O)NC2=O)CCCO1 1202022730 YEJHHEBDONHUEP-VXGBXAGGSA-N 324.381 -0.632 30 20 DBED COCCC(=O)N[C@H]1C[C@@H](NCC(=O)NCC#N)C12CCC2 1202271092 UJZKGEQJOFDROA-NEPJUHHUSA-N 308.382 -0.320 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)CC(=O)N(C)C)CC1 1202819705 NRCBGEIHYRHLCR-UHFFFAOYSA-N 310.398 -0.653 30 20 DBED N#CCNC(=O)CN[C@@H]1C[C@@H](NC(=O)c2cnco2)C12CCC2 1203231783 ULHJCQXJHGNUDB-VXGBXAGGSA-N 317.349 -0.055 30 20 DBED C=CCNC(=O)CN[C@@H]1C[C@@H](NC(=O)c2nc[nH]n2)C12CCC2 1203500096 NEUZKAAEKCZWJT-GHMZBOCLSA-N 318.381 -0.263 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)c2cnnc(O)c2)C1 1208380779 JFHNIKLAFBVGAR-GFCCVEGCSA-N 317.349 -0.874 30 20 DBED COCC#CCN[C@H]1CCCN(C(=O)c2cn(C)c(=O)cn2)C1 1208626181 OMBVAMKQXCWCMI-ZDUSSCGKSA-N 318.377 -0.376 30 20 DBED C=CCN1C[C@@H](NC(=O)CNS(=O)(=O)N(C)C)[C@H](C)C1 1208984528 COADYMHFDJYTMT-GHMZBOCLSA-N 304.416 -0.995 30 20 DBED CCc1noc(COCC(=O)N[C@@H]2CN(CC#N)C[C@H]2OC)n1 1213702780 VSDVZUPGGAXKIO-GHMZBOCLSA-N 323.353 -0.512 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)Cc2cc[nH]n2)C[C@H]1C 1214382260 KHEIXBRMVUPRQN-YRGRVCCFSA-N 317.393 -0.473 30 20 DBED C[C@@H]1CN(C(=O)[C@H]2CCCOCC2)C[C@H]1NCC(=O)NCC#N 1214524764 NVAKPYOVWUSJOD-HZSPNIEDSA-N 322.409 -0.121 30 20 DBED CCc1nocc1C(=O)N1C[C@@H](NCC(=O)NCC#N)[C@H](C)C1 1215481868 BNRXRHULWWKDAJ-ZWNOBZJWSA-N 319.365 -0.073 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CCCn1cncn1 1218912127 PRPLYEVLZLUHCU-LSDHHAIUSA-N 317.393 -0.007 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CN(Cc2nnnn2C2CC2)C[C@@H]1O 1219591601 LWGDGDLMJVGDMX-OLZOCXBDSA-N 316.365 -0.917 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)C(C)(C)S(C)(=O)=O)C1 1220457141 AOPVBAVTRIEZLM-ZJUUUORDSA-N 324.830 -0.277 30 20 DBED CNC(=O)[C@H](C)N1CC[C@@H]2CN(C(=O)CSCC#N)[C@@H]2C1 1221291417 GJAVUZQIOZLGRR-QJPTWQEYSA-N 310.423 -0.090 30 20 DBED COCC#CCN1CC[C@@H]2CN(C(=O)C[C@H]3CCC(=O)N3)[C@@H]2C1 1221864296 SDGKFGMAYKRPQR-RBSFLKMASA-N 319.405 -0.162 30 20 DBED COCC#CCN1CCC(CNC(=O)[C@H](C)NC(C)=O)CC1 1222308279 CHKYUCTWKBHIGR-ZDUSSCGKSA-N 309.410 -0.011 30 20 DBED COCCCNC(=O)CN1CC[C@H]1CN(C)C(=O)[C@H](C)C#N 1231245895 BTVZTHAJGYAAIK-OLZOCXBDSA-N 310.398 -0.169 30 20 DBED C=CCNC(=O)CNC(=O)N1CCC[C@@H](CS(C)(=O)=O)C1 1261232560 LEHWYGHFWGGKFC-LLVKDONJSA-N 317.411 -0.245 30 20 DBED C=CCn1cc(CNC(=O)N[C@@H](CO)c2cnn(C)c2)nn1 1261443054 ISPRLADPGKNKIE-LBPRGKRZSA-N 305.342 -0.270 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N(C)CCCCOC)nn1 1261448628 AAWQQRCPFQQIJI-UHFFFAOYSA-N 309.370 -0.035 30 20 DBED Cc1cc(C[C@H](C)NC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)n[nH]1 1261468728 LIHIKEKPBLKACU-BONVTDFDSA-N 319.365 -0.358 30 20 DBED C=C(C)COCCNC(=O)C(=O)N1CCN(CCC#N)CC1 1261969188 TZQYKGZBMYXSLL-UHFFFAOYSA-N 308.382 -0.247 30 20 DBED CN(CCS(C)(=O)=O)Cn1nc(CC#N)n(C)c1=S 1321075681 ZTQLFVCTVSSCBV-UHFFFAOYSA-N 303.413 -0.049 30 20 DBED N#CCOc1cccc(NC(=O)C(=O)NC2(C(N)=O)CC2)c1 1323028679 BWSGKKUUSGAJHY-UHFFFAOYSA-N 302.290 -0.338 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N(CC)CCS(C)(=O)=O 1323825055 XPKNXEZOFTWCHQ-SNVBAGLBSA-N 306.384 -0.803 30 20 DBED C=CC[C@@H](NC(=O)Cn1ccc(=O)n(C)c1=O)C(=O)OCC 1325376652 SIZRWNMCKPUGFF-SNVBAGLBSA-N 309.322 -0.829 30 20 DBED C=CCCN(C)C(=O)C(=O)Nc1cc(C)n(CC(=O)NC)n1 1326147515 XHSGQSBEXGQSPI-UHFFFAOYSA-N 307.354 -0.089 30 20 DBED C=CCS(=O)(=O)CCNC[C@H](O)COC1CCOCC1 1326155270 CMTBCQZRXYDINB-LBPRGKRZSA-N 307.412 -0.267 30 20 DBED C[C@@H]1CCNC(=O)[C@@H]1NC(=O)C(=O)Nc1cccc(C#N)n1 1326820263 KVRHAULHNFVTAM-LDYMZIIASA-N 301.306 -0.467 30 20 DBED C=CCOCCn1nnnc1N1CC[C@H](S(C)(=O)=O)C1 1334239512 TZPLJVZHVQLLNC-JTQLQIEISA-N 301.372 -0.501 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N1CCC2(CC1)CNC(=O)O2 1335675247 XQXPKXBPFPEGQD-JTQLQIEISA-N 311.338 -0.595 30 20 DBED N#C[C@@H]1CCCN(C(=O)C(=O)N2CCC(OCCO)CC2)C1 1336488699 ITFXUVSJODYVOK-LBPRGKRZSA-N 309.366 -0.252 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)c1cnn2ccncc12 1341989094 ZTGSUFCOZNRUSW-UHFFFAOYSA-N 303.278 -0.102 30 20 DBED C#CCOCCNC(=O)C(=O)NCC[S@](=O)C(C)(C)C 1342430138 LFGRLXXKGJMDLS-FQEVSTJZSA-N 302.396 -0.584 30 20 DBED C=CCn1c(N2CC(=O)N(C)C[C@@H]2C)nnc1[C@]1(O)CCOC1 1342443123 QFFKGDXGGZRNAX-NHYWBVRUSA-N 321.381 -0.261 30 20 DBED COC[C@@]1(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CCNC1 1349108767 KDLJEKPBAPHMLI-WIDZWVOGSA-N 322.365 -0.745 30 20 DBED CCc1nocc1C(=O)NCCn1cc(C#N)c(O)nc1=O 1363130365 WPATVLKXNQGJHG-UHFFFAOYSA-N 303.278 -0.199 30 20 DBED Cc1cc(C[C@@H](C)NS(=O)(=O)N2CCO[C@H](C#N)C2)n[nH]1 1364870365 JTNLBGPQYUKCKM-ZYHUDNBSSA-N 313.383 -0.292 30 20 DBED C=C(Cl)CN1CCOC[C@H]1CNC(=O)CS(=O)(=O)CC 1368445356 BETCOTLASQAYMC-LLVKDONJSA-N 324.830 -0.009 30 20 DBED C[C@H](CNC(=O)c1ncn(C)n1)N(C)C(=O)c1ccc(C#N)[nH]1 1369833590 NXZCFCGRVGFREF-SECBINFHSA-N 315.337 -0.095 30 20 DBED COC(=O)NCC(=O)N1CCCC2(C1)CN(C(=O)[C@@H](C)C#N)C2 1370263234 CIUXXVPMNPFVEP-NSHDSACASA-N 322.365 -0.047 30 20 DBED C[C@H](C#N)C(=O)NC1CN(C(=O)c2cnc3[nH]c(O)nc3c2)C1 1374750328 MZLRADMGCDXCOG-SSDOTTSWSA-N 314.305 -0.236 30 20 DBED CC(=O)NCC(=O)N[C@H](CNC(=O)c1cc(C#N)c[nH]1)C(C)C 1375970897 OQYSHFRKNFNOSG-CYBMUJFWSA-N 319.365 -0.107 30 20 DBED COCCN(CCNC(=O)[C@@H](C)C#N)C(=O)c1cnsn1 1383331315 LEOVKPSRLBUOSW-VIFPVBQESA-N 311.367 -0.097 30 20 DBED CNC(=O)NCC(=O)N1CC2(CCN(C(=O)[C@H](C)C#N)C2)C1 1384553978 ALYFKLROLRNKGD-SNVBAGLBSA-N 307.354 -0.864 30 20 DBED C[C@H](C#N)C(=O)NCCN(C(=O)[C@H]1CN(C)CCO1)C1CC1 1388677600 BBWZXIBCGYMKAN-DGCLKSJQSA-N 308.382 -0.416 30 20 DBED CCNC(=O)CCC(=O)NC1CN(C(=O)c2c[nH]c(C#N)c2)C1 1398583305 RNKVCIVSGGUKII-UHFFFAOYSA-N 317.349 -0.257 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H](C)CNC(=O)c1cccn2nnnc12 1404379302 UQQGJZUINQBWBB-VHSXEESVSA-N 315.337 -0.139 30 20 DBED Cn1nnc2c1C[C@@H](C(=O)NCCn1cnc(C#N)n1)CC2 1417447013 XSYARRXTZVOIRG-VIFPVBQESA-N 300.326 -0.800 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNCc1nnn(C(C)(C)C)n1 1420095863 FHRLHWZXQQSJRK-UWVGGRQHSA-N 309.374 -0.846 30 20 DBED C[C@H]1CN(Cc2cc(O)n3ncc(C#N)c3n2)CC(=O)N1C 1421730282 XKFXRUKXJNHEQD-VIFPVBQESA-N 300.322 -0.031 30 20 DBED C[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1NCCS(C)(=O)=O 1424465941 QIGFLOUTTHTPPJ-GWCFXTLKSA-N 324.406 -0.019 30 20 DBED C[C@H](C#N)C(=O)NCC1CCN(C(=O)[C@@H]2COC(=O)N2)CC1 1427596815 ZSMNATOGWLYCAO-KOLCDFICSA-N 308.338 -0.391 30 20 DBED COCCN(CCNC(=O)[C@@H](C)C#N)C(=O)c1cnnc(O)c1 1444968116 YGCIPSCLSSPNRL-JTQLQIEISA-N 321.337 -0.453 30 20 DBED CCn1nc(C(=O)N(C)C[C@H](C)NC(=O)[C@@H](C)C#N)ccc1=O 1451194741 XQZVSTJIBZEJPX-QWRGUYRKSA-N 319.365 0.000 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)c2cn(C)c(=O)nc2O)CC1 1453540965 SLMOAYHUYUMRMT-MRVPVSSYSA-N 319.321 -0.976 30 20 DBED Cn1c(O)nc(N2CC[C@@H](NC(=O)C(C)(C)C#N)C2)cc1=O 1472122686 XAIDZOCKJPUZCX-SECBINFHSA-N 305.338 -0.269 30 20 DBED COCCN(CCNC(=O)Cc1cnn(C)c1)C(=O)[C@@H](C)C#N 1488531566 RVBKBPVHDLUFKT-LBPRGKRZSA-N 321.381 -0.287 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CCN(C(=O)CNC(=O)C2CC2)C1 1527087672 MPVOYVXTJNJJHV-QWRGUYRKSA-N 306.366 -0.363 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)CN2CCCCC2=O)CC1 1535601423 WCOIIJKJXIHVLS-LLVKDONJSA-N 306.366 -0.076 30 20 DBED C#CC[C@@H](C)NC(=O)[C@@H]1[C@H](O)C(=O)N(C)[C@H]1c1cnn(C)c1 1548660060 HROZWJNVZHMTIV-IXOXFDKPSA-N 304.350 -0.562 30 20 DBED N#Cc1cn(CCNC(=O)c2cc3cccn3cn2)c(=O)nc1O 1557601267 HMEJNQDWKACIPB-UHFFFAOYSA-N 324.300 -0.102 30 20 DBED C[C@@H](CCNC(=O)c1cc(C#N)c[nH]1)N[C@H]1CCC(=O)NC1=O 1570456537 SAYRUTAABSQGGE-ONGXEEELSA-N 317.349 -0.210 30 20 DBED N#Cc1cccc(S(=O)(=O)N[C@@H](CO)C(=O)O)c1Cl 1571083832 ALIYPBNUZNKVIW-ZETCQYMHSA-N 304.711 -0.065 30 20 DBED N#Cc1ncn(CCNC(=O)CC2(C(=O)O)CCOCC2)n1 1574249606 YKMGRUPFPDSSOB-UHFFFAOYSA-N 307.310 -0.463 30 20 DBED CS(=O)(=O)[C@@H]1CCN(c2cnc(-c3nn[nH]n3)c(C#N)n2)C1 1580154650 IWTHEJJRUPFZMJ-SSDOTTSWSA-N 320.338 -0.848 30 20 DBED C#CCN(CC(=O)O)S(=O)(=O)CCCN1CCOCC1 1588425570 YOZWOUUUHFJGJD-UHFFFAOYSA-N 304.368 -0.942 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)NCCn1cc(C(=O)O)nn1 1588547739 MIEYNBAAARTLAB-SNVBAGLBSA-N 309.326 -0.437 30 20 DBED C=CCN(CC=C)C(=O)Cn1c(O)ncc(-c2nn[nH]n2)c1=O 1588632268 UEROOPHXUQCSHP-UHFFFAOYSA-N 317.309 -0.670 30 20 DBED C=C[C@@H](C(=O)O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1588663451 NIGAXQJIOSWVLM-RYUDHWBXSA-N 318.395 -0.248 30 20 DBED C=C[C@@H](C(=O)O)N1CCC(N2CCS(=O)(=O)CC2)CC1 1588664639 YHUXTOJJCLJPRS-LBPRGKRZSA-N 302.396 -0.180 30 20 DBED C=CCOC[C@H](NC(=O)CN(C)[C@@H]1CCC[C@H]1O)C(=O)O 1588853779 IBLQZNCQDDCYJH-QJPTWQEYSA-N 300.355 -0.396 30 20 DBED N#Cc1ncn(CCNC(=O)[C@H]2CO[C@@H](CCC(=O)O)C2)n1 1594635787 VEQGDSKXBRYNNC-ZJUUUORDSA-N 307.310 -0.464 30 20 DBED N#CCNC(=O)CNC(=O)N1CC[C@@](C(=O)O)(C(F)(F)F)C1 1601074847 SRWJPGXHLKWDNG-SNVBAGLBSA-N 322.243 -0.325 30 20 DBED C#CCCCS(=O)(=O)N(CCN1CCOCC1)CC(=O)O 1609106664 IZHGVCIIRAIXAP-UHFFFAOYSA-N 318.395 -0.552 30 20 DBED Cc1c(NC(=O)[C@H](C)n2cnc(C#N)n2)cnn1CC(=O)O 1610421932 KPOOSOSIIILUFN-QMMMGPOBSA-N 303.282 -0.061 30 20 DBED CCN(CC)S(=O)(=O)CC(=O)N[C@@H]1CCCN(CC#N)C1 1713789033 CICBZKLMPBSEGF-GFCCVEGCSA-N 316.427 -0.238 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@@H](NC(=O)c2cncc(OC)n2)C1 1752769253 PJXAWAGBVCARTD-PHIMTYICSA-N 317.349 -0.915 30 20 DBED N#CCNC(=O)CN[C@H]1C[C@@H](NC(=O)c2ccc(O)nc2)C1 1752775048 RJBXTBPXGXZMIB-PHIMTYICSA-N 303.322 -0.723 30 20 DBED Cn1cncc1CC(=O)NC[C@H]1CCCN1CC(=O)NCC#N 1753114998 APTFDTCBWKBHEX-GFCCVEGCSA-N 318.381 -0.817 30 20 DBED C#Cc1ccc(C(=O)N(C)CCNCCS(C)(=O)=O)nc1 1753252914 QYIKGAJGOLSHOY-UHFFFAOYSA-N 309.391 -0.231 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC(NC(=O)C2(N(C)C)CCC2)C1 1753378656 RAPMKRUIMUWTLW-GFCCVEGCSA-N 308.426 -0.038 30 20 DBED C=CCNC(=O)CNC[C@@H](C)CNC(=O)c1cc(=O)n(C)cn1 1753618570 MSUNKDBCGLSIER-LLVKDONJSA-N 321.381 -0.962 30 20 DBED CN(CCN(C)C(=O)C#CC1CC1)CCN1C(=O)CNC1=O 1753852570 SGMXECXUAWHBGZ-UHFFFAOYSA-N 306.366 -0.658 30 20 DBED C=CCOCC(=O)N1CC[C@H]2[C@H](CCN2CC(=O)NC(N)=O)C1 1753873850 XZHKLMAIUTWIQH-NEPJUHHUSA-N 324.381 -0.693 30 20 DBED N#CCNC[C@@H]1CCC[C@H]1NC(=O)Cn1ccc(O)nc1=O 1753888080 HXRMZXRBQRGUSO-WDEREUQCSA-N 305.338 -0.653 30 20 DBED C=C(C)CNC[C@@H](O)CNC(=O)Cn1nnc2c1CCCC2 1753927453 KOWHIOQFBMBUOZ-GFCCVEGCSA-N 307.398 -0.200 30 20 DBED COCC#CCNC[C@@H](O)CNC(=O)c1ccc(C)nc1O 1753928513 HBHNIXMOPUJVFU-GFCCVEGCSA-N 307.350 -0.574 30 20 DBED C#CCNC(=O)CNC/C=C/CNC(=O)c1cnc(C)n1C 1754162314 SWNQVLWWMQQNQJ-AATRIKPKSA-N 303.366 -0.646 30 20 DBED Cc1nc(C)c(C(=O)NC/C=C\CNCC(=O)NCC#N)[nH]1 1754184302 ROZPQHMBBBGQKU-ARJAWSKDSA-N 304.354 -0.458 30 20 DBED C=CCNC(=O)[C@@H](C)N(C)C[C@@H](C)NC(=O)Cc1nc[nH]n1 1754331881 XMKUAGSEPRGIJU-GHMZBOCLSA-N 308.386 -0.526 30 20 DBED CN(CCCNCCN1CCNC1=O)C(=O)c1cc(C#N)c[nH]1 1754363843 CLEZSPSVLZBAJY-UHFFFAOYSA-N 318.381 -0.037 30 20 DBED C#CCN(C(=O)C(N)=O)C1CCN([C@@H](C)C(=O)NCC=C)CC1 1754640360 OYSMGZPCOLGNRK-LBPRGKRZSA-N 320.393 -0.911 30 20 DBED C=CCOCC(=O)N1CCO[C@@H](CNCc2ncnn2C)C1 1754996078 LFLUTMFFJZJJLE-LBPRGKRZSA-N 309.370 -0.665 30 20 DBED C#CCNCC1(NC(=O)CCCn2cncn2)CCOCC1 1755099343 AFBWUNXZCWYMMP-UHFFFAOYSA-N 305.382 -0.054 30 20 DBED C[C@H]1CN(C(=O)C2(CN(C)C)CC2)C[C@@H]1NCC(=O)NCC#N 1755114682 UYATZLWGYILJLI-STQMWFEESA-N 321.425 -0.596 30 20 DBED C#CCN1CC(CCO)(NC(=O)[C@@]23C[C@H]4C[C@H](C(=O)N2)[C@H]3C4)C1 1755334212 WTIYTZDREBNBJE-JRATXPSKSA-N 317.389 -0.913 30 20 DBED C=C(C)CN1CC(CCO)(NC(=O)CN(C)C(=O)COC)C1 1755334414 YLVNQWPLVZZYSQ-UHFFFAOYSA-N 313.398 -0.780 30 20 DBED C#CCCN1CC(CCO)(NC(=O)c2cccc(C(N)=O)n2)C1 1755344726 RYIRINKRNRZFKR-UHFFFAOYSA-N 316.361 -0.630 30 20 DBED CO[C@@H](C(=O)N[C@@H](C)C1CN(CC(=O)NCC#N)C1)C1CC1 1755373557 KDIFFEWMLNBEDM-IINYFYTJSA-N 308.382 -0.512 30 20 DBED C[C@H](CC(=O)N1CC[C@@]2(CN(CC#N)CCO2)C1)NC(N)=O 1755400623 JIEJPGXKZGKYCA-BXUZGUMPSA-N 309.370 -0.740 30 20 DBED COCC#CCN[C@@H](C)[C@@H]1CN(C(=O)c2ncn(C)n2)CCO1 1755441553 HJCCFXQIIAQZQO-STQMWFEESA-N 321.381 -0.716 30 20 DBED C#Cc1cncc(C(=O)NC[C@@H](CO)NCc2nccn2C)c1 1755637963 KUCBREIGDPBCCU-AWEZNQCLSA-N 313.361 -0.323 30 20 DBED CC#CCN[C@H](CO)CNC(=O)c1cccc(NC(N)=O)c1 1755645818 GKHOLXFIYQEMMB-ZDUSSCGKSA-N 304.350 -0.119 30 20 DBED COC1(CC(=O)NC[C@H](CO)NC(=O)C#CC2CC2)CCC1 1756515820 QBUQVMTVMYHPKT-CYBMUJFWSA-N 308.378 -0.048 30 20 DBED CCc1cc(C(=O)NC[C@H](CO)NC(=O)C#CC2CC2)no1 1756536804 DNUBGDSTCNXMPM-LLVKDONJSA-N 305.334 -0.143 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H](CO)NC(=O)CCOC)cn1 1756539193 ZEXXVDFUMLVCOD-ZDUSSCGKSA-N 305.334 -0.694 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@@H](NC(=O)c2cnn(C)n2)[C@H](C)C1 1757087789 PHNYPXBTCWHMSQ-NQBHXWOUSA-N 319.365 -0.570 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC[C@H]1CN(C)C(=O)Cc1nc[nH]n1 1757307022 MFWSRAWKDPCSLB-RYUDHWBXSA-N 321.381 -0.002 30 20 DBED CO[C@@H]1C[C@H](C(=O)O)CN(S(=O)(=O)N(C)C[C@@H](C)C#N)C1 1777158838 GYQVSNDLJQVWFH-GARJFASQSA-N 319.383 -0.256 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CCCN1C)CCO2 1783047207 ZOXHBTKYHKSZJM-XJKSGUPXSA-N 305.378 -0.456 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](C)n1cncn1)CCO2 1783053518 IDPFHFGMLHLAQY-SWLSCSKDSA-N 317.349 -0.698 30 20 DBED Cn1ccnc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC#N)C2 1794872630 YYHHUEMARZSLMX-PTEHBNRSSA-N 317.349 -0.463 30 20 DBED CN(C)C(=O)NCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CC#N 1795459114 FBGMRFJJXQIBET-ZSBIGDGJSA-N 321.381 -0.191 30 20 DBED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc[nH]1)CCO2 1837788608 SINMWCJHEZPGBZ-MRXNPFEDSA-N 317.345 -0.282 30 20 DBED CC(C)(C#N)C(=O)N1CCCC12CN(C(=O)CNC(=N)N)C2 1841136986 OVQWTPSLLBJOQD-UHFFFAOYSA-N 306.370 -0.777 30 20 DBED C=C(C(=O)N1CCCC12CN(C(=O)C(O)O)C2)C(F)(F)F 1846013444 DFXSHOJVCQGEOL-UHFFFAOYSA-N 308.256 -0.381 30 20 DBED CC[C@H](C)[C@H](N)C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846195093 AXNUSMHRQGZAPG-FZMZJTMJSA-N 321.377 -0.349 30 20 DBED Cn1cc(C#N)c(=O)n(C[C@H](O)COc2ccc(F)cc2)c1=O 73649569 JVEIZRUIRZESQO-LBPRGKRZSA-N 319.292 -0.002 30 20 DBED C#CCN1CCN(C(=O)CN2CCOC[C@@H]2C[C@H](C)O)CC1 157153651 ZYBKPMKMMGLIJS-GJZGRUSLSA-N 309.410 -0.765 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)C2=CCCCO2)CC1 172778374 JNBOAZPKDDHXHP-UHFFFAOYSA-N 305.378 -0.036 30 20 DBED C#CCN(C)[C@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 192220455 MBWUUKQOUKNRNK-GFCCVEGCSA-N 323.418 -0.054 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H]([C@H](C)N)C2)C1=O 262568112 FLGQLEHGQFBKDR-QWRGUYRKSA-N 322.365 -0.451 30 20 DBED CC[C@H](C)NC(=O)CC/N=C(/N)NCCCN1CCOCC1 303880619 KIQXEEYBSUZDFJ-ZDUSSCGKSA-N 313.446 -0.082 30 20 DBED O=S1(=O)CCN(CC/N=C(/O)CCn2cccn2)CC1 328800236 YEYYDUUHFRTKFQ-UHFFFAOYSA-N 300.384 -0.040 30 20 DBED CN1CC[C@H](N(C)/C(O)=N/C[C@H]2CCCS2(=O)=O)C1=O 329303251 XEXOQKHRFZZRTM-ZJUUUORDSA-N 303.384 -0.360 30 20 DBED O=S1(=O)CCC[C@H](/N=C(/O)N2CCO[C@]3(CCOC3)C2)C1 329918761 ZZYBYPNFKCTTPC-WCQYABFASA-N 318.395 -0.031 30 20 DBED N#CCCCC(=O)N1CCN(C(=O)CN2CCOCC2)CC1 330908385 WSIAGDVQVXAKTQ-UHFFFAOYSA-N 308.382 -0.317 30 20 DBED C[C@@](C#N)(NC(=O)CN1CCN2C(=O)NC(=O)[C@@H]2C1)C1CC1 332754358 FEOXCMBSTDEPAF-HZMBPMFUSA-N 305.338 -0.969 30 20 DBED Cn1c(N2CC(C)(C)[C@@H]3COC[C@@H]32)c(C#N)c(=O)n(C)c1=O 333652160 FDGNQDAYLPGELX-MNOVXSKESA-N 304.350 -0.183 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)NCc1ccnc(N(C)C)n1 336903034 RTJNXEGLAVTSSB-SNVBAGLBSA-N 312.399 -0.032 30 20 DBED CC(C)(C)C(=O)NCCNS(=O)(=O)N1CCO[C@H](C#N)C1 336910461 HTMLZPVNJXBYAO-SNVBAGLBSA-N 318.399 -0.793 30 20 DBED CCCN1CCC(NS(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 336917125 NWGMECSVFRVJIL-ZDUSSCGKSA-N 316.427 -0.080 30 20 DBED COC(=O)C1(NS(=O)(=O)N2CCO[C@@H](C#N)C2)CCCC1 336931424 ZYZCQMIHQDRFLB-JTQLQIEISA-N 317.367 -0.469 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)NCC1CCN(CCO)CC1 337089754 ITPMAZJOMYKYKS-GFCCVEGCSA-N 318.443 -0.383 30 20 DBED C[C@@H](O)CNC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 343121819 AUGYPGKVTCVTRK-SNVBAGLBSA-N 311.363 -0.324 30 20 DBED Cc1cc(NC(=O)C(=O)N2CCC[C@](C)(O)C2)nn1CCC#N 349181233 GUKFRLWPESIVTD-HNNXBMFYSA-N 319.365 0.417 30 20 DBED C=CCOC[C@H](NS(=O)(=O)N(C)CCOC)C(=O)OC 360613848 QBLDWSUYACODCZ-JTQLQIEISA-N 310.372 -0.857 30 20 DBED CC(C)(C)[C@H](C#N)NC(=O)C1CCN(S(N)(=O)=O)CC1 408370956 RVJUCTVLQKSMMD-JTQLQIEISA-N 302.400 -0.044 30 20 DBED C=CCOC[C@@H](NC(=O)C(C)(C)NS(C)(=O)=O)C(=O)OC 435934681 IGRVIIOSDMQFRM-SECBINFHSA-N 322.383 -0.825 30 20 DBED C=CC[C@H](CO)CNC(=O)N[C@H](CC)CNS(C)(=O)=O 458993944 WKYQCTAZGLFKGN-WDEREUQCSA-N 307.416 -0.202 30 20 DBED C#C[C@H](C)N(C)CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 491717906 RQCOYLUBXUWZCW-LBPRGKRZSA-N 323.418 -0.054 30 20 DBED O=C(NCC#CCO)c1cccc(CN2C(=O)CNC2=O)c1 549713089 LSRUYCBYFNSCFP-UHFFFAOYSA-N 301.302 -0.536 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H](CC(=O)O)C(=O)O 563226065 IWSFPVYZJJEULK-HTQZYQBOSA-N 307.328 -0.770 30 20 DBED C[C@@H]1CN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CCN1 566252627 HIAXLOMCCOAZOK-LLVKDONJSA-N 322.390 -0.343 30 20 DBED N#CCN1CCN(C(=O)CNS(=O)(=O)c2ccccc2)CC1 578194787 ILDUIBLBOUNLFR-UHFFFAOYSA-N 322.390 -0.367 30 20 DBED Cc1c([C@@H]2[C@@H](C(=O)NCC#CCO)CC(=O)N2C)cnn1C 580328457 VBWDVRFVDSYFAQ-FZMZJTMJSA-N 304.350 -0.640 30 20 DBED N#Cc1nc(=NCCS(=O)(=O)N2CCSCC2)cc[nH]1 584064188 SABGKBBJDTXYJL-UHFFFAOYSA-N 313.408 -0.439 30 20 DBED CC(C)(CC#N)CNC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1 597761269 AUSKSQZOOIRNBW-SNVBAGLBSA-N 302.400 -0.042 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)NC2(C(N)=O)CCC2)cc1 613805776 VCWKOBYNIAEFPC-UHFFFAOYSA-N 300.318 -0.188 30 20 DBED CNC(=O)CN1CCC(NC(=O)N2CC[C@](F)(C#N)C2)CC1 615530540 BGPKPAHBOARIDO-AWEZNQCLSA-N 311.361 -0.156 30 20 DBED C=CCn1c(COCCOC)nnc1N1CCN(C)C(=O)C1 634339130 YPPUXHOQBFYJTR-UHFFFAOYSA-N 309.370 -0.095 30 20 DBED CC#CC[C@@H](CO)NC(=O)[C@@H](C(C)C)N1CCCS1(=O)=O 649184082 CCTNJFAQQAYGIO-QWHCGFSZSA-N 316.423 -0.063 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(CC)[C@H](C)C(=O)O)C1=O 663124458 OCZKYKXNMMAGAD-MRVPVSSYSA-N 311.294 -0.715 30 20 DBED N#Cc1ccc(NCCNC(=O)CN2CC(=O)NC2=O)nc1 732268756 LQHKHZHEPLMFBH-UHFFFAOYSA-N 302.294 -0.967 30 20 DBED C[C@@H](NS(C)(=O)=O)C(=O)OCC(=O)N[C@@](C)(C#N)C1CC1 758475882 DXKNDFKKFINWCU-PELKAZGASA-N 317.367 -0.724 30 20 DBED C#CCNS(=O)(=O)N1CCN(CCCCCOC)CC1 761023785 KNOVWASKKUJWSX-UHFFFAOYSA-N 303.428 -0.112 30 20 DBED Cn1nccc1COCC(=O)NS(=O)(=O)CC1(C#N)CC1 793194830 ALDMRZPCXUDIPP-UHFFFAOYSA-N 312.351 -0.314 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CCO[C@H]2CC)CC1 796121844 OGIWCHNOHYTOAR-KGLIPLIRSA-N 307.394 -0.305 30 20 DBED CC#CCCCC(=O)NS(=O)(=O)N1CCN(C(C)=O)CC1 813948930 OELNIALROODDQN-UHFFFAOYSA-N 315.395 -0.295 30 20 DBED CS(=O)(=O)N=S1(=O)CCN(C(=O)C2(C#N)CCC2)CC1 816715221 MNKXEPNQIOPZLG-UHFFFAOYSA-N 319.408 -0.050 30 20 DBED C[C@@](C#N)(CC(=O)O)C(=O)NCCN1CCCS1(=O)=O 819833890 JYHXXKNBUHCVMR-NSHDSACASA-N 303.340 -0.857 30 20 DBED C=CCNC(=O)COC(=O)[C@H](O)c1ccc(-c2nn[nH]n2)cc1 823925560 MEPOMKFYUUDJNC-GFCCVEGCSA-N 317.305 -0.255 30 20 DBED NC(=O)CNC(=S)NN=Cc1ccccc1-c1nn[nH]n1 826391651 VHEZONTZXHLQFH-UHFFFAOYSA-N 304.339 -0.850 30 20 DBED C#CCO[C@H](C)C(=O)NCCNS(=O)(=O)c1cccnc1 827143030 ZCCYZZMTPHMFBX-LLVKDONJSA-N 311.363 -0.486 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)NCc1cnn(C)c1C 828088378 VNHXBQHRMMKUNM-UHFFFAOYSA-N 306.366 -0.157 30 20 DBED C#CCN(CC(=O)NCCOCC(N)=O)C(=O)OC(C)(C)C 830156599 UUSFDMJBKGVFQD-UHFFFAOYSA-N 313.354 -0.525 30 20 DBED C#CC[C@@H](NS(=O)(=O)c1c[nH]c(C(=O)OC)c1)C(=O)OC 841539871 GLNGOIGAKQGIIC-SECBINFHSA-N 314.319 -0.356 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(Cc2cnsn2)c1=O 848426056 HNEJZZKIASDMIL-UHFFFAOYSA-N 307.335 -0.557 30 20 DBED CCOC(=O)Cn1ccc(NC(=O)N[C@H]2CNC[C@@H]2C#N)n1 848598718 QECWGZJFZLWWNC-UWVGGRQHSA-N 306.326 -0.321 30 20 DBED C#CCCN(CCOC)C(=O)CN(C)[C@H]1CCS(=O)(=O)C1 856390024 IYZBYPYXJXWGOQ-ZDUSSCGKSA-N 316.423 -0.396 30 20 DBED C#CCNS(=O)(=O)N1CCN(c2ccnc(C#N)c2)CC1 912314722 UXZBAWBEXIWSKL-UHFFFAOYSA-N 305.363 -0.457 30 20 DBED C#CC[C@H](CO)NC(=O)N[C@H]1CCN(CC(F)(F)F)C1=O 918096877 ZDFBZPBTYBCUMD-BDAKNGLRSA-N 307.272 -0.167 30 20 DBED C#CC[C@@H](CO)NC(=O)NCc1cc(=O)n2ccccc2n1 923089975 NIKRWHVYVBBLFV-NSHDSACASA-N 300.318 -0.122 30 20 DBED Cn1ncc(Br)c1CNC(=O)NCC#CCO 923761761 WRPUHSQQAIDDIN-UHFFFAOYSA-N 301.144 -0.023 30 20 DBED COCCCS(=O)(=O)NCC(=O)N1CCC[C@H](C#N)C1 928220269 GDJKQKKMLKKRGA-LLVKDONJSA-N 303.384 -0.296 30 20 DBED CC#CCN1CC[C@@H](NC(=O)Cn2c(O)nnc2O)[C@@H](C)C1 944347009 NWBNUSFKSFXTRR-WDEREUQCSA-N 307.354 -0.461 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cn(C)c(=O)nc2O)C[C@H]1C 948027742 ZCDHPEWVTPNBRU-MNOVXSKESA-N 304.350 -0.298 30 20 DBED CC#CCN1CCN(C(=O)Cn2ncn3nccc3c2=O)CC1 951166229 MLAKWAIDBADJDS-UHFFFAOYSA-N 314.349 -0.942 30 20 DBED C#Cc1ccc(C(=O)N[C@@H](C)[C@@H]2CCN(C(=O)C(N)=O)C2)cn1 959259950 DZMISAHTKZUVMI-CMPLNLGQSA-N 314.345 -0.485 30 20 DBED C=CCN1C[C@H]2C(NC(=O)C3(n4cnnn4)CCOCC3)[C@@H]2C1 962015071 GAHYNQXVFMZQIV-VXGBXAGGSA-N 318.381 -0.589 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2[C@@H]3CN([C@H]4CCNC4=O)C[C@@H]32)nc1 962340225 IDTBKRCVICCFLB-MYZSUADSSA-N 310.357 -0.389 30 20 DBED C#Cc1ccccc1CC(=O)N1C[C@@H](C)[C@@H](NC(=O)C(N)=O)C1 966644375 ADYYQNZQSSISEW-RISCZKNCSA-N 313.357 -0.341 30 20 DBED Cc1cnn(C)c1C(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1O 969807992 JPJQGRDYKONFKB-GDPRMGEGSA-N 305.338 -0.810 30 20 DBED C=CCn1cc(C(=O)N2CC[C@@H](N[C@H](CC)C(N)=O)C2)nn1 970205185 DPXCSJFESTUWMT-GHMZBOCLSA-N 306.370 -0.468 30 20 DBED CN([C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1)[C@@H]1CCNC1=O 971375937 FFQIKTRAHXQAEW-CHWSQXEVSA-N 301.350 -0.079 30 20 DBED Cn1oc(C(=O)N2CC[C@@]3(CN(CC#N)CCO3)C2)cc1=O 972354398 ZMYCOJWJOZIMNR-CQSZACIVSA-N 306.322 -0.581 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)[C@@H]3CC(=O)N(CC)C3)C2)C1 972406894 IHDNIHKNNLMUTP-RHSMWYFYSA-N 319.405 -0.209 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)c3ccc(C(N)=O)[nH]3)C2)C1 972554353 PINSQFNUSYOMMM-INIZCTEOSA-N 316.361 -0.336 30 20 DBED CC1(C)CN(CC#N)C[C@@H]1NC(=O)[C@@H]1CCc2nnnn2CC1 975066038 TXRMMAIHNFHXFV-NEPJUHHUSA-N 317.397 -0.024 30 20 DBED C#CCN1C[C@H]2C(CNC(=O)c3nc4ncc(C)cn4n3)[C@@H]2C1 978305413 DFAFXEJQTSABHE-STQMWFEESA-N 310.361 -0.026 30 20 DBED N#CCN1C[C@H]2C(CNC(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)[C@@H]2C1 978518696 FRRZIPLSVOBINC-IXDBCEGASA-N 305.378 -0.145 30 20 DBED C=C(C)CN[C@@H]1C[C@H](C)N(C(=O)CN2C(=O)C(=O)N(C)C2=O)C1 989513891 HWKQXWLJWTZTSB-WDEREUQCSA-N 322.365 -0.438 30 20 DBED C#CCN[C@H]1C[C@@H](C)N(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 989569961 ZLISDSSGIOLNAS-MNOVXSKESA-N 314.349 -0.717 30 20 DBED C=CCCN1CCCN(C(=O)[C@H]2CCS(=O)(=O)N2)CC1 989689323 JYCRKODUQOJLBF-GFCCVEGCSA-N 301.412 -0.212 30 20 DBED C#CCN1CCC(C(=O)N2CCCN(CC(=O)NC)CC2)CC1 989735379 YYWRMCAERMVDIV-UHFFFAOYSA-N 320.437 -0.388 30 20 DBED C=CCNC1CCN(C(=O)CN2CCCS2(=O)=O)CC1 996645307 MCFIFGUEKNEAQK-UHFFFAOYSA-N 301.412 -0.212 30 20 DBED C=CCn1cc(C(=O)N2CC(NC(=O)c3[nH]nnc3C)C2)nn1 997353590 MZYAEXQENQLDAF-UHFFFAOYSA-N 316.325 -0.855 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2CCC(=O)N2C)C1 998083317 HYLJGZXPKIKRLK-UPJWGTAASA-N 321.377 -0.475 30 20 DBED C#CCNC1CC(N(C)C(=O)[C@H]2CC(=O)N(CCOC)C2)C1 998864601 XSPKMKGLXLKLNV-HSBZDZAISA-N 307.394 -0.307 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)c2cnnn2CC)C1 1000010098 WCQAXJOZVJNRLF-YPMHNXCESA-N 319.365 -0.170 30 20 DBED N#CCN[C@@H]1CCCN(C(=O)C2CC3(C2)NC(=O)NC3=O)C1 1000441078 DDUVRPRSWXOCBG-OPASDULOSA-N 305.338 -0.921 30 20 DBED C[C@H](C#N)C(=O)N1CCCC2(C1)CN(C(=O)[C@@H]1CCNC1=O)C2 1010769644 HYGIPFAPTOBUBI-VXGBXAGGSA-N 318.377 -0.267 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)CC1 1012332347 AIOVFPPMOWLLTR-UTUOFQBUSA-N 306.366 -0.282 30 20 DBED C=C1CC(C)(C(=O)N2C[C@@H]3C(NC(=O)c4nnn(C)n4)[C@H]3C2)C1 1013594379 QTORKUATQWBKLQ-UWVGGRQHSA-N 316.365 -0.247 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)C1 1015993340 XNQYLCVDMALEDO-SNVBAGLBSA-N 300.322 -0.755 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2[C@@H](CC)C(N)=O 1032453807 PAJYGPGTJXGNLZ-AJNGGQMLSA-N 318.421 -0.367 30 20 DBED C#CCOc1ncccc1C(=O)N1C[C@@H]2C[C@H]1CN2CCO 1032738860 RAMHHIOHCQZJFX-STQMWFEESA-N 301.346 -0.015 30 20 DBED CC[C@@H](C(N)=O)N1CCO[C@@H](CNC(=O)c2ccc(C#N)[nH]2)C1 1035332057 UBJBMCFEJNMROF-AAEUAGOBSA-N 319.365 -0.419 30 20 DBED N#CCN1CCO[C@H](CNC(=O)[C@@H]2CCCCS2(=O)=O)C1 1035393370 ZKSWWLGUXFCQTI-NEPJUHHUSA-N 315.395 -0.706 30 20 DBED C#CCN[C@H]1CCN(C(=O)c2nnc(O)nc2O)C[C@@H]1CC 1037887698 FXBJXTVMUWXXMF-UWVGGRQHSA-N 305.338 -0.254 30 20 DBED C[C@H]1CCN(C(=O)C(N)=O)C[C@@H]1CNc1ccc(C#N)nn1 1039889670 UNTISMBPKVMJKJ-UWVGGRQHSA-N 302.338 -0.270 30 20 DBED C=CCCOCC(=O)NC[C@@]1(O)CCN(C(=O)COCC)C1 1040157013 QQZZQQCMIHFKOM-HNNXBMFYSA-N 314.382 -0.305 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)Cc2ncc[nH]2)C1 1040696118 YEFVMETVVGTNKQ-QMTHXVAHSA-N 305.338 -0.809 30 20 DBED C[C@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)c2ccns2)C1 1040758987 CUDRJLICEAWDDA-NOZJJQNGSA-N 308.363 -0.004 30 20 DBED C=C1CCC(C(=O)NC[C@]2(O)CCN(C(=O)C(N)=O)C2)CC1 1040806997 MHVIBBABHPSMRF-OAHLLOKOSA-N 309.366 -0.702 30 20 DBED N#Cc1nccc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3CCOC3)C2)n1 1040939233 MXDJPFDYAPGHLM-HBNTYKKESA-N 303.322 -0.950 30 20 DBED Cc1nc[nH]c1C(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1O 1041087132 JQMIRCMISGXUNM-VXGBXAGGSA-N 312.333 -0.036 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2ccco2)C1 1041209822 RFZNQGVHINQTKK-NSHDSACASA-N 306.318 -0.379 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCCC(=O)N2C)C1 1041956239 BOEFTFKEGUFZAQ-LBPRGKRZSA-N 323.393 -0.347 30 20 DBED C=CCCN1CC[C@@H]2CCN(C(=O)CN3CCNC(=O)C3)C[C@@H]21 1042182598 GCHOKHFRJMKWDS-CABCVRRESA-N 320.437 -0.083 30 20 DBED C=CCN1CC[C@@H](N2[C@H]3CC[C@H]2CN(C(=O)C(N)=O)CC3)C1=O 1045838299 QSGYKBDHDBQPEF-RWMBFGLXSA-N 320.393 -0.676 30 20 DBED C=C(C)C[C@@H](C)C(=O)N1CC(O)(CNC(=O)Cc2nc[nH]n2)C1 1046909361 KGSNCHMLZSOFEP-LLVKDONJSA-N 321.381 -0.361 30 20 DBED CC(C)(C)C#CC(=O)N1CC(O)(CNC(=O)Cc2cnc[nH]2)C1 1047171225 GNXUNXCMFSNHQM-UHFFFAOYSA-N 318.377 -0.309 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cnc(C)nc2OC)C1 1047402428 ULFCBWGSWMKWFT-KBPBESRZSA-N 318.377 -0.066 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1CNCc1nnn(C)n1 1048253720 RDSXIBCSCGQZEG-YPMHNXCESA-N 302.382 -0.192 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)c1ccnc2c1nnn2C 1051085059 ZSRGYWVHNKWJGK-LLVKDONJSA-N 314.349 -0.573 30 20 DBED COc1cc(O)ncc1C(=O)NC[C@H]1COCCN1CC#N 1051115497 YNYGASRYZGLQEA-JTQLQIEISA-N 306.322 -0.250 30 20 DBED CN1CC[C@@H](NC[C@H]2CN(C(=O)C#CC3CC3)CCO2)C1=O 1051609293 QVAPLVHRTOOAGC-UONOGXRCSA-N 305.378 -0.553 30 20 DBED C[C@H](O)CN1CCN([C@H]2CCN(C(=O)C#CC3CC3)C2)CC1 1052027216 YTRFNBWFVPWJFJ-HOCLYGCPSA-N 305.422 -0.001 30 20 DBED N#CCN1CCN([C@@H]2CCN(C(=O)[C@@]34COC[C@@H]3C4)C2)CC1 1052031784 WRUCLXCTKURGHN-LZWOXQAQSA-N 304.394 -0.235 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@@H](N2CCN(CC(N)=O)CC2)C1 1052062653 MMMHLQIHTIVUJH-CYBMUJFWSA-N 308.426 -0.098 30 20 DBED CNC(=O)CC(=O)NC[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1C 1052550226 ZJVQFYMWYLDIKW-AAEUAGOBSA-N 305.378 -0.253 30 20 DBED Cc1cc(=O)c(C(=O)N[C@@H]2COC3(C2)CN(CC#N)C3)cn1C 1053836692 YNPYZHMTASKQAY-LBPRGKRZSA-N 316.361 -0.210 30 20 DBED N#CCN1CC[C@@]2(CCCN(C(=O)CCn3cnnn3)C2)C1 1054219040 FRKRVUMMLLBDJR-AWEZNQCLSA-N 303.370 -0.099 30 20 DBED C[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1NCc1nnn(C)n1 1054545909 DSASUTWWMRULJO-CABZTGNLSA-N 314.353 -0.340 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)[C@H](C)CC(N)=O)C[C@@H]2C1 1055415872 KHZPUNIVNNLLDC-KKOKHZNYSA-N 306.366 -0.426 30 20 DBED Cc1nnc(CC(=O)N2CCN(c3cnc(C#N)cn3)CC2)o1 1055787027 ZLHRAVAUAIDDSJ-UHFFFAOYSA-N 313.321 -0.069 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@]1(CO)CCCN(C(=O)C2CC2)C1 1055947466 QDFBCEMHKRKIEU-BLLLJJGKSA-N 308.378 -0.096 30 20 DBED Cn1nccc1C(=O)NC1[C@H]2CN(c3cncc(C#N)n3)C[C@H]12 1056136753 AJVSBHMKWVTQFL-QWRGUYRKSA-N 309.333 -0.054 30 20 DBED CCn1ncc(C(=O)NC2[C@H]3CN(c4cncc(C#N)n4)C[C@H]23)n1 1056200290 DMAVSKPNJRSZAH-QWRGUYRKSA-N 324.348 -0.176 30 20 DBED N#Cc1cncc(N2C[C@H]3C(NC(=O)[C@@H]4[C@H]5COC[C@H]54)[C@@H]3C2)n1 1056365968 QTRFAQKOANUGOS-SSKLVLDBSA-N 311.345 -0.209 30 20 DBED N#Cc1nccc(N2C[C@H]3C(NC(=O)Cc4cnc[nH]4)[C@@H]3C2)n1 1056429170 ZDFFXOCNVFUKTJ-GHMZBOCLSA-N 309.333 -0.135 30 20 DBED C[C@@H](C(=O)N1CC[C@@H](Nc2cnc(C#N)cn2)C1)S(C)(=O)=O 1056816657 KJOHVSJNSFHHHQ-VHSXEESVSA-N 323.378 -0.206 30 20 DBED CN(c1cnc(C#N)cn1)[C@H]1CCN(C(=O)c2nnn(C)n2)C1 1057001787 FFKVTYGLOLNMIG-JTQLQIEISA-N 313.325 -0.777 30 20 DBED C=CCO[C@H](C)C(=O)NCCN(CCO)C(=O)[C@H](C)COC 1057192456 UMENLAYIELIZLE-CHWSQXEVSA-N 316.398 -0.203 30 20 DBED N#Cc1nccnc1NC1CCN(C(=O)Cn2cnnn2)CC1 1057282388 LEOYTDABOLMRCH-UHFFFAOYSA-N 313.325 -0.562 30 20 DBED O=C(C#CC1CC1)N(CCO)CCNC(=O)[C@@]1(F)CCOC1 1057538854 HTDFBYCBGYFDIH-OAHLLOKOSA-N 312.341 -0.535 30 20 DBED N#Cc1nccc(N2CCC(NC(=O)Cn3cncn3)CC2)n1 1057870849 LMMXKKRLKAEUJU-UHFFFAOYSA-N 312.337 -0.275 30 20 DBED Cn1ncc(C(=O)N[C@@H]2CCN(c3ccnc(C#N)n3)C2)c1N 1058343763 IKIYGGSPXDWJES-SECBINFHSA-N 312.337 -0.327 30 20 DBED Cc1nnc(CC(=O)N[C@H]2CCN(c3cncc(C#N)n3)C2)o1 1058349160 ZTSVCPHEHLFTEB-JTQLQIEISA-N 313.321 -0.023 30 20 DBED C=CCCCC(=O)N(CCO)CCNC(=O)Cc1nc[nH]n1 1058623283 MWNGMWIHYZBINV-UHFFFAOYSA-N 309.370 -0.359 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)[C@@H]1CN2CCC1CC2 1058656965 NRFJALYZBXBHAC-TZMCWYRMSA-N 322.409 -0.575 30 20 DBED Cc1cc(C#N)nc(N(C)C[C@@H]2CCCN(C(=O)C(N)=O)C2)n1 1058701978 DOZKWCHIOVTEEZ-NSHDSACASA-N 316.365 -0.183 30 20 DBED N#Cc1ccc(N[C@H]2CCN(C(=O)[C@H]3CCNC3=O)C2)nn1 1059019603 ABNFIECVEAFVGS-QWRGUYRKSA-N 300.322 -0.503 30 20 DBED C[C@@]1(C(=O)N[C@H]2C[C@H](N=c3cc[nH]cc3C#N)C2)CCNC1=O 1059410267 VMRONYCJZLBRPH-XHBSWPGZSA-N 313.361 -0.040 30 20 DBED C=CCCC(=O)N1CCOC[C@H]1CNC(=O)[C@]1(C)CCC(=O)N1 1061879544 PDULHDGZSLGGBE-WBMJQRKESA-N 323.393 -0.035 30 20 DBED C#CCOCCC(=O)N1CCCC[C@@H]1CNC(=O)CC(=O)NC 1062211415 PEVFCZRVWQUZFJ-CYBMUJFWSA-N 323.393 -0.340 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(NC(=O)CN(C)C(C)=O)CCC1 1063042480 WMHDZPQNPXNTHA-GFCCVEGCSA-N 323.393 -0.342 30 20 DBED N#Cc1nc(=NC[C@H]2CCCN2C(=O)[C@@H]2CCNC2=O)cc[nH]1 1063538990 JUVWNRVAMMBYAI-GHMZBOCLSA-N 314.349 -0.691 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(C(=O)c2csnn2)CCO1 1065384408 ZJZHFGWELKGXQZ-NSHDSACASA-N 320.374 -0.091 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CN(C(=O)c2cccnn2)CCO1 1065514169 JCDRVIAHVOHYNH-MNOVXSKESA-N 303.322 -0.407 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H](NC(=O)CS(C)(=O)=O)CC1 1065938525 HFTXNSYFALDICB-QWRGUYRKSA-N 315.395 -0.312 30 20 DBED COCC(=O)N1CCC[C@@](CO)(Nc2cncc(C#N)n2)C1 1066880133 ZLMPDISSNJUQEQ-CQSZACIVSA-N 305.338 -0.240 30 20 DBED N#Cc1cncc(N2C[C@H]3CC[C@H]2CN3C(=O)Cn2nccn2)n1 1068053772 WXFBLYZRTXJLIC-QWHCGFSZSA-N 324.348 -0.180 30 20 DBED CC(=O)N[C@@H](C)C(=O)N1CCOC2(CN(C(=O)[C@@H](C)C#N)C2)C1 1068287979 JHQDVPXCPDKVHA-QWRGUYRKSA-N 322.365 -0.890 30 20 DBED C#CCOCCC(=O)N[C@H]1COC2(C1)CN(C(=O)[C@@H](C)OC)C2 1068867792 DDRWQKKPYGTENY-CHWSQXEVSA-N 324.377 -0.453 30 20 DBED CC#CCCCC(=O)N[C@H]1COC2(C1)CN(C(=O)CC(N)=O)C2 1068970037 FKYVFLBCOYTZRZ-GFCCVEGCSA-N 321.377 -0.459 30 20 DBED CCn1cc(C(=O)N[C@@H]2CN(CC#N)C[C@@H]2n2ccnn2)cn1 1069904013 CEOIRYJVIKYHCG-OLZOCXBDSA-N 314.353 -0.327 30 20 DBED CC#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)C2=CCOCC2)C1 1069914126 UDUMTLSVVFGBOL-CABCVRRESA-N 315.377 -0.010 30 20 DBED C=C(C)C[C@H](C)C(=O)NCC1(NC(=O)C(N)=O)CCOCC1 1070229761 HFPMZXGOQSSUSD-NSHDSACASA-N 311.382 -0.144 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCC[C@@H](NC(=O)Cn2cnnn2)C1 1070666492 RHNDUFNCOPRDKK-BXUZGUMPSA-N 322.369 -0.893 30 20 DBED C#CCOCCC(=O)N1CCC[C@@H](NC(=O)[C@@H]2CCNC2=O)C1 1070730503 JGWKYNRHIBJIJM-CHWSQXEVSA-N 321.377 -0.730 30 20 DBED Cn1cnc(C(=O)N2C[C@H]3C[C@@H]4CN(CC#N)C[C@]3(C2)O4)c1 1070786922 QUCKTDGPZQIWHU-LALPHHSUSA-N 301.350 -0.141 30 20 DBED CN1C[C@H](C(=O)N2C[C@@H]3C[C@@H]4CN(CC#N)C[C@]3(C2)O4)CC1=O 1070806122 DBNMRYAZTXKZQY-OQMKEHIESA-N 318.377 -0.710 30 20 DBED C=CCN1C[C@H]2C[C@@H]3CN(C(=O)c4nnn(C)n4)C[C@@]3(C1)O2 1070839031 FEOUHHYOFWRZCC-JTNHKYCSSA-N 304.354 -0.689 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)Cc2nonc2C)CC1 1071012998 NBUXCUJBJGHFHF-UHFFFAOYSA-N 319.365 -0.796 30 20 DBED C[C@H]1CN(C(=O)C(=O)NCC2CC2)C[C@@H]1NC(=O)C#CC1CC1 1072611090 LJUIQORWPHQDED-FZMZJTMJSA-N 317.389 -0.111 30 20 DBED C[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)CC[C@@H]1NC(=O)CC(N)=O 1073838586 DBROEFRSUDKXIN-ONGXEEELSA-N 317.349 -0.271 30 20 DBED CC#CCN1CCO[C@@H]2CCN(C(=O)CS(C)(=O)=O)C[C@H]21 1074188149 OGFLVDFEQLUQCL-CHWSQXEVSA-N 314.407 -0.644 30 20 DBED C#CCO[C@@H](C)C(=O)NCC[C@H](C)NC(=O)c1cnc(O)n1C 1076512478 ZIYNGFDGSDJOIN-QWRGUYRKSA-N 322.365 -0.211 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CN3CC4CC3(CO2)C4)C1 1077418148 KTTBKEVOHIXPFN-QJNCVLDKSA-N 319.405 -0.966 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3nc(C)nn3C2)C1 1077430174 ABEPZYOMTIRWLK-BFHYXJOUSA-N 317.393 -0.666 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)c2c[nH]nc2[C@H]2CCOC2)C1 1077456089 XHLIVMUTOANUJJ-CYZMBNFOSA-N 306.366 -0.126 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)Cn2nnnc2C(C)C)C1 1077805738 KMUMFSXTQNHZHC-VXGBXAGGSA-N 308.386 -0.466 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)C2(N3CCOCC3)CCC2)C1 1077912843 OIMQGPQSIJHLDY-ZIAGYGMSSA-N 307.394 -0.964 30 20 DBED CCN(C(=O)CSCC#N)C1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 1079345136 ZOEOFUPADYOOFC-MNOVXSKESA-N 324.406 -0.576 30 20 DBED C#CCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)c2cnon2)C1 1079776484 HHFGOAPHGWLODV-JTQLQIEISA-N 306.322 -0.219 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)c2cn(C)cn2)C[C@@H]1O 1081442499 VSLLACJLHHQKKM-JSGCOSHPSA-N 318.377 -0.227 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)c2ncc[nH]2)C[C@H]1O 1081464307 XWOZQHUEKVDKBQ-NWDGAFQWSA-N 304.350 -0.382 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(C(=O)Cc2ncc[nH]2)C[C@@H]1O 1081471612 PXIJQMDCFAPZLK-OLZOCXBDSA-N 316.361 -0.699 30 20 DBED C#CCCN1C[C@@H](NC(=O)c2cc3n(n2)CCO3)[C@H](OC)C1 1081803510 MNJUDSCMOCGFRY-CHWSQXEVSA-N 304.350 -0.272 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@H]1CCCS(=O)(=O)C1 1082195138 ANUIGHHATQTKHE-QJPTWQEYSA-N 315.395 -0.850 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)C[C@@H]1CCC(=O)N1 1083221961 AGAXNFNTCRGCJS-MELADBBJSA-N 305.378 -0.410 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)c2cn(C[C@H]3CCOC3)nn2)C1 1083900535 SZIAYDAHOPNGSB-BZPMIXESSA-N 321.381 -0.725 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)c3ccc(-n4cnnn4)cn3)[C@@H]2C1 1084544511 YUIFIKHUJQEOQD-IUODEOHRSA-N 323.360 -0.163 30 20 DBED N#CCN1CC[C@H](NC(=O)c2cnc3[nH]ncc3c2)[C@H](O)C1 1090356883 ZDNKNQHKQUYXBP-NWDGAFQWSA-N 300.322 -0.354 30 20 DBED CC(C)(C)OCC(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1O 1090407264 UWJVHVQZLSRLRA-GHMZBOCLSA-N 319.365 -0.171 30 20 DBED CC[C@H](C)OCC(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1O 1090410062 UTQROCYLRJRXGA-CYZMBNFOSA-N 319.365 -0.171 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2ccc(C(=O)NC)nc2)[C@@H](O)C1 1090733499 GYFBYHFIJXCOEL-OCCSQVGLSA-N 316.361 -0.761 30 20 DBED N#Cc1nccnc1N1C[C@@H]2C(NC(=O)CCn3cncn3)[C@H]2C1 1093212844 LFUJQDCKANKXLH-QWRGUYRKSA-N 324.348 -0.419 30 20 DBED CCN1CCO[C@H](C(=O)NCCNc2cncc(C#N)n2)C1 1093654869 ROOLDIWOQQUDPE-LBPRGKRZSA-N 304.354 -0.403 30 20 DBED C[C@@H](C(=O)NCCNc1ccc(C#N)nn1)[C@H]1CCC(=O)N1 1094133301 MRWZOYMFEWOPPE-MWLCHTKSSA-N 302.338 -0.209 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)c3cc(C)on3)CC2=O)C1 1094697769 RKPNBLYCTMSKMZ-NSHDSACASA-N 302.334 -0.369 30 20 DBED C[C@@H]1CN(C)C[C@H](C(=O)NCCCNc2ccc(C#N)nn2)O1 1094869157 WDEUHHMHBLAYIT-DGCLKSJQSA-N 318.381 -0.014 30 20 DBED N#Cc1nccnc1N1CC[C@@H](NC(=O)CCn2cncn2)C1 1096315389 MUNHPHYUUJQKHF-LLVKDONJSA-N 312.337 -0.275 30 20 DBED C[C@@H](C(=O)N[C@@H]1CCN(c2cncc(C#N)n2)C1)S(C)(=O)=O 1096502045 JCTHBTLGLAIDIZ-VHSXEESVSA-N 323.378 -0.524 30 20 DBED N#Cc1cnc(N[C@H](CNC(=O)[C@H]2CCC(=O)N2)C2CC2)cn1 1096598447 OHTPBCTVDBZLKC-VXGBXAGGSA-N 314.349 -0.066 30 20 DBED COC[C@@]1(C(=O)NC[C@@H](C)N=c2cc[nH]c(C#N)n2)CCOC1 1098166632 UEHUXJLAWQQGTC-ABAIWWIYSA-N 319.365 -0.260 30 20 DBED C#CCN(CCO)C1CCN(C(=O)[C@@]2(CC)CCNC2=O)CC1 1098398149 LBDKGINFQLFMBA-KRWDZBQOSA-N 321.421 -0.179 30 20 DBED C[C@@H](CCNC(=O)[C@H]1CN(C)CCO1)N=c1cc[nH]c(C#N)n1 1098997962 CTBAUQBERYMJGI-NWDGAFQWSA-N 318.381 -0.593 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)c2cc[nH]c2)[C@H](O)C1 1099842790 WXSGMRDFBCHWAF-CHWSQXEVSA-N 306.366 -0.518 30 20 DBED C=C(C)CCC(=O)N[C@H]1CCN(Cc2nnn(C)n2)C[C@H]1O 1099855961 PXIYBHRJCRBHNK-NWDGAFQWSA-N 308.386 -0.382 30 20 DBED C#CCC1(C(=O)N[C@@H]2CCN(CC#N)C[C@H]2O)CCOCC1 1099869945 XZUJGGZBHMXJDZ-ZIAGYGMSSA-N 305.378 -0.119 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)Cc2nonc2C)[C@@H](O)C1 1100055590 FYKQRNJATPKPJK-OCCSQVGLSA-N 324.381 -0.325 30 20 DBED C#CCNC(=O)CC(=O)NCC1CC(NCc2nccn2C)C1 1100261934 XTTNRTCVXHCZAG-UHFFFAOYSA-N 317.393 -0.456 30 20 DBED CC(=O)N[C@H](C)C(=O)NC[C@H]1CCCN1c1nccnc1C#N 1100776965 WDHGZWHXSRDENA-ZYHUDNBSSA-N 316.365 -0.042 30 20 DBED N#Cc1nccnc1N1CCC[C@@H]1CNC(=O)Cc1nc[nH]n1 1100861243 WXXAQVIPTDWOJG-SNVBAGLBSA-N 312.337 -0.206 30 20 DBED N#Cc1nccnc1N(CCNC(=O)Cn1cnnn1)C1CC1 1101281596 XAKRGLIADDNUMR-UHFFFAOYSA-N 313.325 -0.880 30 20 DBED CN(CCNc1cncc(C#N)n1)C(=O)C(=O)NCC1CC1 1101740004 LJUSNZWQWPYHSW-UHFFFAOYSA-N 302.338 -0.255 30 20 DBED CN(CCNc1nccnc1C#N)C(=O)c1ccc2nnnn2c1 1101856234 LAGYHSYVGYFPST-UHFFFAOYSA-N 323.320 -0.030 30 20 DBED CC[C@@H](CNC(=O)[C@H]1COC(=O)N1)N=c1cc[nH]cc1C#N 1103052860 LARJCTTWRVUZDI-CMPLNLGQSA-N 303.322 -0.210 30 20 DBED CC[C@H](CNC(=O)[C@@H]1CCNC1=O)Nc1nccnc1C#N 1103259404 KYJWSJHWZGUZPR-NXEZZACHSA-N 302.338 -0.209 30 20 DBED CNC(=O)C1(C(=O)NC[C@@H](C)CN=c2cc[nH]c(C#N)n2)CC1 1104019059 PPFUSGJBIAFTLJ-JTQLQIEISA-N 316.365 -0.539 30 20 DBED CN(CCN(C)c1ccc(C#N)nc1)C(=O)[C@H]1COC(=O)N1 1105393436 WNVAVGFZEFHNBY-GFCCVEGCSA-N 303.322 -0.044 30 20 DBED N#Cc1cncc(NC[C@@H](O)CNC(=O)C[C@H]2CCCO2)n1 1105718761 QASHASQWPWDTIV-VXGBXAGGSA-N 305.338 -0.194 30 20 DBED C[C@H](C(=O)NC[C@H](O)CNc1cnc(C#N)cn1)n1cccn1 1105768092 VRWBZPJUJLCGQY-ZYHUDNBSSA-N 315.337 -0.305 30 20 DBED Cc1cncn1CC(=O)NC[C@H](O)CNc1ccc(C#N)nn1 1106026800 RSWPKFVCNGDMHJ-GFCCVEGCSA-N 315.337 -0.558 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H](O)CNc1ncccn1 1106155167 VZPYOQUQAFULDQ-STQMWFEESA-N 303.366 -0.537 30 20 DBED CCN(CCNc1nccnc1C#N)C(=O)[C@H]1COC(=O)N1 1106754243 JAACKMPFVBHLQI-SNVBAGLBSA-N 304.310 -0.283 30 20 DBED N#Cc1nc(=NC/C=C\CNC(=O)CCn2cncn2)cc[nH]1 1107043872 KHFJBNJSKUEEDH-UPHRSURJSA-N 312.337 -0.464 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)CNC(=O)C1CC1 1107657953 AFCOTZYFDTUCQZ-SECBINFHSA-N 302.338 -0.787 30 20 DBED C#CCNC(=O)CN1CCO[C@](C)(CNC(=O)[C@@H](C)C#N)C1 1107821981 YVHDSWUPLWYGTM-SWLSCSKDSA-N 306.366 -0.897 30 20 DBED C[C@H](C(N)=O)N1CCO[C@](C)(CNC(=O)c2cc(C#N)c[nH]2)C1 1107850534 LPQICPYNVSDGPL-MEBBXXQBSA-N 319.365 -0.419 30 20 DBED C#CCCN1CCO[C@](C)(CNC(=O)[C@H]2COCCN2CC)C1 1108041076 ZYACHZHMOICDCP-NVXWUHKLSA-N 323.437 -0.063 30 20 DBED CC#CCN1CCO[C@@](C)(CNC(=O)[C@@]2(C)CNC(=O)C2)C1 1108093039 QRMNYVNXLSQFIA-CVEARBPZSA-N 307.394 -0.257 30 20 DBED C#CCN1CCN(C(=O)CCCF)[C@@H]2CS(=O)(=O)C[C@@H]21 1108478610 FLILPBWNIDGGOV-NWDGAFQWSA-N 302.371 -0.321 30 20 DBED C[C@@H](CN(C)c1ccc(C#N)nc1)NC(=O)[C@@H]1CNC(=O)N1 1109210624 DVDBVAVBPHKHHP-CABZTGNLSA-N 302.338 -0.424 30 20 DBED C=CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCNS(C)(=O)=O 1110618404 SADBWOKHCHIFNJ-UTUOFQBUSA-N 301.412 -0.167 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H]1OCC[C@H]1C 1111039125 YKJXEZVIQNOYGJ-FAHYXWLWSA-N 319.405 -0.118 30 20 DBED CC(=O)N(C)CC(=O)N(CCO)CCNc1cnc(C#N)cn1 1111441702 BDLQZCODYCUTND-UHFFFAOYSA-N 320.353 -0.941 30 20 DBED C#CCO[C@H](C)C(=O)N(CCO)CCNc1cc(F)ncn1 1111510552 BHOQZDANZSXRIE-LLVKDONJSA-N 310.329 -0.113 30 20 DBED CC(=O)NCC(=O)NC[C@H]1CN(c2ccc(C#N)cn2)C[C@H]1O 1112695421 USQHAUFBJPSVQW-QWHCGFSZSA-N 317.349 -0.997 30 20 DBED Cc1nc(N2C[C@H](O)[C@H](CNC(=O)CC(N)=O)C2)ccc1C#N 1112724600 BFMAVYFUSXXJCE-NEPJUHHUSA-N 317.349 -0.950 30 20 DBED C=CCN1CCN(C(=O)CS(=O)(=O)N(CC)CC)CC1 1113396043 AHPFRKQZXDNGJB-UHFFFAOYSA-N 303.428 -0.012 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)c2ccc(C#C)nc2)CC1 1113559166 HGLBDSLKIVURST-CQSZACIVSA-N 324.384 -0.041 30 20 DBED C[C@@H](CNC(=O)C1(C(N)=O)CC1)N(C)c1cncc(C#N)n1 1113845422 GNJZRJGKJPLOOX-VIFPVBQESA-N 302.338 -0.445 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)c3cnns3)[C@@H]2C1 1113924554 HIVXKHUDELMFHM-RKDXNWHRSA-N 307.379 -0.500 30 20 DBED CCN(CCC#N)C(=O)CN1C[C@H]2C(NC(=O)[C@@H](C)OC)[C@@H]2C1 1113952607 HEGWXQNTGPVSBP-JHJVBQTASA-N 322.409 -0.170 30 20 DBED CC1(C)CN(c2ccnc(C#N)n2)C[C@H]1NC(=O)CC(N)=O 1114428106 YKEHGHFJVDIKOR-SECBINFHSA-N 302.338 -0.445 30 20 DBED C[C@]1(CC(=O)N[C@H]2[C@@H]3CN(CC#N)C[C@@H]32)CCS(=O)(=O)N1 1115175913 FFDWPEIREOQUGN-RSLMWUCJSA-N 312.395 -0.972 30 20 DBED N#CCNC1(CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CCCCC1 1115728433 ZOGOHINBQLBFCE-NWDGAFQWSA-N 308.382 -0.048 30 20 DBED CCN(CC#N)C(=O)CCc1nc2c(O)nc(=O)n(C)c2[nH]1 1115924030 DPAXGWLDRZGSID-UHFFFAOYSA-N 304.310 -0.333 30 20 DBED C=CCS(=O)(=O)CCNC(=O)[C@@H]1CCc2nnn(C)c2C1 1117679662 ABMWDYHKZXNPGY-SNVBAGLBSA-N 312.395 -0.363 30 20 DBED C=CCS(=O)(=O)CCNC(=O)c1cn(C)nc1COC 1119392359 XASXUYAWHZODID-UHFFFAOYSA-N 301.368 -0.103 30 20 DBED COCCCOCC(=O)NC[C@@H](CO)Nc1cnc(C#N)cn1 1122052497 LAGKRKAPEPDCCR-LBPRGKRZSA-N 323.353 -0.710 30 20 DBED CN(C[C@@H](O)CNc1nccnc1C#N)C(=O)c1cn(C)nn1 1124295736 KNZHDKNJVTXGDZ-VIFPVBQESA-N 316.325 -0.978 30 20 DBED CC(C)[C@@H](O)C(=O)N(C)C[C@H](O)CN=c1cc[nH]cc1C#N 1124295784 MCXJMBRXKKLCKR-TZMCWYRMSA-N 306.366 -0.377 30 20 DBED COCCCNC(=O)[C@@H](C)NCCNC(=O)c1cc(C#N)c[nH]1 1125369990 FCMJGJONEXSFRA-LLVKDONJSA-N 321.381 -0.253 30 20 DBED C#CCNC(=O)CC(=O)NCCNCC(=O)N[C@H](C)CCC 1125998287 OEYHMWOLWKPXOI-GFCCVEGCSA-N 310.398 -0.864 30 20 DBED COCCN(CCNC(=O)[C@@H](C)OC)c1cncc(C#N)n1 1126237822 DZYUTAZHSWHYLK-LLVKDONJSA-N 307.354 -0.048 30 20 DBED CNC(=O)CN1CCn2ncc(CNC(=O)[C@@H](C)C#N)c2C1 1128264447 NBRNZAJYOIAKCJ-JTQLQIEISA-N 304.354 -0.779 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)CCc1ccn(C)n1 1128475174 GAZFJDDGDOYFRO-GFCCVEGCSA-N 305.382 -0.804 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)c1cnc2n1CCC2 1129775278 KZEQNDNOORNGRW-NSHDSACASA-N 305.382 -0.161 30 20 DBED C#CCCN[C@@H]1CN(C(=O)[C@H](O)C(C)C)C[C@@H]1n1ccnn1 1129803485 NMEVNPRAXMVKME-HZSPNIEDSA-N 305.382 -0.340 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1cc(OCC)n[nH]1 1130109697 VWOLMQQYCGQITB-SNVBAGLBSA-N 307.354 -0.734 30 20 DBED COCC#CCNCCNC(=O)Cn1nnc(-c2ccco2)n1 1130709136 VEBHMOAIMNDUHX-UHFFFAOYSA-N 318.337 -0.711 30 20 DBED C=CCCCC(=O)N1CCC(=O)NCCN(CC(=O)NC)CC1 1131376854 MQNUCPRMXBFEDV-UHFFFAOYSA-N 324.425 -0.261 30 20 DBED C#CCN1CCN([C@H]2CCCN(C(=O)COCC=C)C2)C(=O)C1 1131709980 PMTAJGNWZBTPRU-HNNXBMFYSA-N 319.405 -0.043 30 20 DBED C[C@@H]1CC[C@H](NC(=O)c2cn[nH]c2)CN1CC(=O)NCC#N 1131826268 OOSFUPOQWMUEOC-PWSUYJOCSA-N 304.354 -0.368 30 20 DBED COCC#CCN1C[C@@H](NC(=O)Cn2ncnn2)CC[C@@H]1C 1132041782 KLEHJJURSJJSAG-STQMWFEESA-N 306.370 -0.708 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)C[C@H]2CCC(=O)N2C)C1=O 1132256940 GLMLRPPXEXHTGV-OLZOCXBDSA-N 322.409 -0.510 30 20 DBED C[C@@H]1CC[C@@H](NC(=O)C(C)(C)NS(C)(=O)=O)CN1CC#N 1132339872 KTKNSMOAEOTHCM-GHMZBOCLSA-N 316.427 -0.193 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)Cc2nc[nH]n2)CC[C@H]1C 1132416839 NIIILFHJPCDNST-NEPJUHHUSA-N 320.397 -0.382 30 20 DBED C[C@@H]1CCN(C(=O)c2cn(C)c(=O)n2C)C[C@@H]1CNCC#N 1133351899 VVDXCLQCBHULEK-NEPJUHHUSA-N 305.382 -0.065 30 20 DBED C#CCOc1ncccc1C(=O)NCCNCC(=O)N(C)C 1148302735 UUVNWNWLCQMRMB-UHFFFAOYSA-N 304.350 -0.499 30 20 DBED C=CCN1CCC(CCOC)(NC(=O)[C@H]2CNC(=O)N2)CC1 1151281788 QWDUUQSZZWTBJD-GFCCVEGCSA-N 310.398 -0.159 30 20 DBED C#CCCN(CC)[C@H](C)CNC(=O)c1cn(CC(N)=O)nn1 1157159009 RHDXDHCESPYBFB-LLVKDONJSA-N 306.370 -0.773 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)CCCn1ccnn1 1159703098 ZMBARIZUZVEOOZ-CYBMUJFWSA-N 320.397 -0.708 30 20 DBED N#CCNC(=O)CNCCCNC(=O)CCOCC(F)(F)F 1161606048 IAFYVJYPEUZGRT-UHFFFAOYSA-N 324.303 -0.309 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)[C@H]1CCNC(=O)CC1 1163317991 KNFOEDXQZKBENK-QWHCGFSZSA-N 324.425 -0.311 30 20 DBED COCC#CCNCCCC[C@@H](C)NC(=O)[C@H]1CN(C)C(=O)N1 1174693961 GAUYUKRIFLTSQM-ZIAGYGMSSA-N 324.425 -0.076 30 20 DBED C#CCCN1CCO[C@@H]2CCN(C(=O)CNC(=O)NC)C[C@H]21 1177025789 UPDMIRWWPJWOHL-CHWSQXEVSA-N 308.382 -0.760 30 20 DBED C=CCN1CCO[C@H]2CCN(C(=O)CCS(C)(=O)=O)C[C@@H]21 1177042612 QRNKGDRKCDCSPI-STQMWFEESA-N 316.423 -0.091 30 20 DBED C=CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)c2cnn[nH]2)[C@H]1C 1179045309 GPQNTMOJXIDQKO-DCAQKATOSA-N 306.370 -0.312 30 20 DBED CCN(C)CCC(=O)N1CC[C@H](NCC(=O)NCC#N)[C@@H]1C 1179856823 LJCPQDKSADYJNB-STQMWFEESA-N 309.414 -0.453 30 20 DBED CC(C)CO[C@@H](C)C(=O)N1CC[C@@H](NCC(=O)NCC#N)C1 1181359258 PRCUBODCFRINLY-QWHCGFSZSA-N 310.398 -0.122 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2ccc(C)nn2)C1 1182431740 GAVRQKPHALZALE-GFCCVEGCSA-N 301.350 -0.661 30 20 DBED C=CCN1CC[C@H](N[C@@H]2CCN(C(=O)CC(=O)N(C)C)C2)C1=O 1186178262 ZUPDNWZTBZZGKB-OLZOCXBDSA-N 322.409 -0.558 30 20 DBED CC(C)[C@@H](O)C(=O)N1CC[C@H]2CN(CC(=O)NCC#N)C[C@H]21 1187742634 CDQNXDQDSSKFOV-OUCADQQQSA-N 308.382 -0.824 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)CSCC#N)C1 1188959302 QLTZMJBQCVOSKV-GFCCVEGCSA-N 308.407 -0.475 30 20 DBED CN(CC#N)[C@H]1CCN(C(=O)CCC(=O)N2CCOCC2)C1 1193878624 PRHMPKUIQGJLER-ZDUSSCGKSA-N 308.382 -0.318 30 20 DBED CO[C@H]1CCC[C@H]1C(=O)N1CCCN(CC(=O)NCC#N)CC1 1196339986 CXPFXNIOKYSJDD-KGLIPLIRSA-N 322.409 -0.024 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)CCC2(C)CC2)C1 1197466249 DTBJSGZFCXYZDO-MGPQQGTHSA-N 321.421 -0.134 30 20 DBED CC#CCNC[C@H]1CN(C(=O)CN2CCCC2=O)CCCO1 1199796915 OEZFUPAPFXGSCF-AWEZNQCLSA-N 307.394 -0.161 30 20 DBED C=CCOCCNC[C@@H]1CN(C(=O)c2cnnn2C)CCCO1 1200397769 VWVQVORXLILCPO-CYBMUJFWSA-N 323.397 -0.162 30 20 DBED C[C@@H]1OCCO[C@@H]1C(=O)N1CCC(NCC(=O)NCC#N)CC1 1201102182 GWXVBTXOBIQASW-FZMZJTMJSA-N 324.381 -0.989 30 20 DBED C#CCNC[C@@H]1CN(C(=O)[C@H]2COCCN2C(C)=O)CCCO1 1202087923 OXFWDQITPFZOBT-HUUCEWRRSA-N 323.393 -0.926 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)c2cncnc2)[C@H](C)C1 1206895838 MJBPMDWNMOUQHE-YRGRVCCFSA-N 315.377 -0.335 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)c2cn(C)nn2)[C@H](C)C1 1206928340 RFWPITNYQUBSQU-GRYCIOLGSA-N 318.381 -0.997 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)c2ccc(O)nn2)C1 1207191701 JZVYMGGLOVFOCF-NSHDSACASA-N 319.365 -0.321 30 20 DBED Cc1ncn(C)c1C(=O)N1CCC[C@H](NCC(=O)NCC#N)C1 1208374095 WFBLUYCKOKHMHF-LBPRGKRZSA-N 318.381 -0.438 30 20 DBED COCC#CCN1C[C@@H](NC(=O)CNC(=O)C2CCC2)[C@H](C)C1 1211338255 YYTXQFANZIWGQX-UKRRQHHQSA-N 321.421 -0.011 30 20 DBED CC#CCN[C@@H]1CN(C(=O)CCN2C(=O)CCC2=O)C[C@H]1C 1215092208 FFGIUCRSYNOBDT-CHWSQXEVSA-N 305.378 -0.015 30 20 DBED C#CCN[C@@H]1CN(C(=O)CNC(=O)c2cccnc2)C[C@H]1C 1215616850 JRDMMNYLYJPXMU-TZMCWYRMSA-N 300.362 -0.119 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)C2(NC(N)=O)CCCCC2)C1 1220480112 OHBFELBRTQVKLZ-OLZOCXBDSA-N 322.409 -0.458 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)c2cnn(CCOCC)c2)C1 1220636682 NWAXQPSQPZSSGJ-CABCVRRESA-N 320.393 -0.282 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)Cc2c(C)n[nH]c2C)C1 1220951656 LBLGZPUEDWEDGV-CABCVRRESA-N 322.409 -0.067 30 20 DBED N#CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3cnco3)[C@@H]2C1 1221722636 WFAWAMNNQIZWTF-GHMZBOCLSA-N 303.322 -0.539 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)[C@@H]2CO[C@H](C)C2)CC1 1223654321 LIWARMNFGFPNNI-HIFRSBDPSA-N 321.421 -0.011 30 20 DBED COCC#CCN[C@@H]1CCCC[C@H]1NC(=O)Cn1cnnn1 1224706415 VTLLKRHZRMYMGW-CHWSQXEVSA-N 306.370 -0.660 30 20 DBED CNC(=O)NCCC(=O)N[C@@H]1CCCC[C@H]1NCC#CCOC 1226043110 WSDJNXZKQNAJQL-ZIAGYGMSSA-N 324.425 -0.028 30 20 DBED COCC#CCN1CCC(NC(=O)C[C@H](C)NC(N)=O)CC1 1227362634 XWSMMGRYMRSQOG-LBPRGKRZSA-N 310.398 -0.336 30 20 DBED Cc1cc(C(=O)N(C)C[C@@H]2CCN2CC(=O)NCC#N)n[nH]1 1230900270 SFIVSQJDTTZCSB-NSHDSACASA-N 304.354 -0.496 30 20 DBED C=CCOCC(=O)N(C)C[C@@H]1CCN1C[C@@H](O)Cn1cccn1 1231169398 HAQPSVXPJHVGKU-LSDHHAIUSA-N 322.409 -0.021 30 20 DBED COC(=O)CCNC(=O)C(=O)Nc1cc(C)n(CCC#N)n1 1319671963 VAJGWPYBVVSYNR-UHFFFAOYSA-N 307.310 -0.277 30 20 DBED N#CCCCCS(=O)(=O)N1CCS(=O)(=O)C[C@H]1C(=O)O 1321454218 OGQIEKNJWAMSJV-VIFPVBQESA-N 324.380 -0.806 30 20 DBED CC(C)[C@@](C)(C#N)NC(=O)CN(C)CCNS(C)(=O)=O 1321805050 XYQNYHKMUUKNGF-GFCCVEGCSA-N 304.416 -0.478 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CC[C@H](COC)C1 1323997674 MMICQBUDAMBQOO-NSHDSACASA-N 318.395 -0.802 30 20 DBED O=C(N[C@H]1CCCN(O)C1=O)[C@H]1CC12CCS(=O)(=O)CC2 1325090123 ZNDKRBIQNBWJKE-ZJUUUORDSA-N 316.379 -0.302 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 1326400923 KYTKOBHCEKTIPW-CJNGLKHVSA-N 320.393 -0.536 30 20 DBED C=CCOCCNC(=O)C(=O)N1CCC[C@@H]1C(=O)NC1CC1 1327094959 JOHAWXYSJJFMMQ-GFCCVEGCSA-N 309.366 -0.425 30 20 DBED C=CCOCCNC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 1327782226 GRGIIVDSFJEPIS-UHFFFAOYSA-N 311.298 -0.774 30 20 DBED CCC[C@@]1(CO)CCCN1C(=O)C(=O)N1CCO[C@H](C#N)C1 1331250788 CUZBZRKRMNLRIF-DOMZBBRYSA-N 309.366 -0.109 30 20 DBED CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CC[C@](O)(CC#N)C1 1332355559 HGWUPNSZKOEHOV-SWLSCSKDSA-N 309.366 -0.109 30 20 DBED O=C1C=CC=N/C1=C(/O)NCCC(=O)N1C[C@@H]2CC[C@H](C1)N2 1332993427 LQDMLYGMYINOLN-FRZVFMKTSA-N 304.350 -0.134 30 20 DBED C=CCn1c(COC)nnc1N1CCO[C@H](CNC(C)=O)C1 1338907676 PVEJXEQTUAHHMT-GFCCVEGCSA-N 309.370 -0.048 30 20 DBED CC(C)(C)OCC(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1 1341901642 CDFGETUNXYBAFY-JTQLQIEISA-N 316.379 -0.233 30 20 DBED N#CC[C@H]1CCCN(C(=O)C(=O)NCc2nnc3n2CCC3)C1 1347415340 DVQYNDLJRGQIFQ-LLVKDONJSA-N 316.365 -0.007 30 20 DBED C=CCn1c(-c2cn(CCO)nn2)nnc1N(C)CCOC 1352162275 JQDTTXYCBOQYCM-UHFFFAOYSA-N 307.358 -0.203 30 20 DBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)Nc1c[nH]nc1O 1364150059 QQFJNQBPMIIKJB-UHFFFAOYSA-N 321.318 -0.208 30 20 DBED CCCS(=O)(=O)CC(=O)N[C@@H]1CCN(C(=O)[C@@H](C)C#N)C1 1372034256 BEAABISKORDAHZ-WDEREUQCSA-N 315.395 -0.312 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CCN(C(=O)c2nccnc2N)C1 1372082336 WPTAKHXIBNDCDH-UWVGGRQHSA-N 302.338 -0.109 30 20 DBED CC[C@@H](OC)C(=O)NCCN1CCN(C(=O)[C@H](C)C#N)CC1 1372209297 NDJDFEUBFJDGKP-CHWSQXEVSA-N 310.398 -0.169 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CCN(C(=O)CN2CCCCC2=O)C1 1372297405 COZCDVLEYBVXMJ-NWDGAFQWSA-N 306.366 -0.124 30 20 DBED C[C@@H](C#N)C(=O)NCC1(C)CCN(C(=O)[C@@H]2COC(=O)N2)CC1 1379990679 FSSGRRQAIDHQAS-QWRGUYRKSA-N 322.365 -0.001 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@@H](CNC(=O)CO[C@@H]2CCOC2)C1 1384479891 KNXYYFNOZJZCSE-WUHRBBMRSA-N 309.366 -0.037 30 20 DBED CC(=O)NCC(=O)NC[C@H]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 1384923530 RNIYKPVOHXOGBH-KLPPZKSPSA-N 317.349 -0.353 30 20 DBED CO[C@@H](C)CC(=O)NC[C@@H](O)CNC(=O)c1ccc(C#N)[nH]1 1410096320 QVLHKLQZOXZFJI-GXSJLCMTSA-N 308.338 -0.482 30 20 DBED COc1ccc(C#N)cc1NC(=O)Cn1cnc(C(N)=O)n1 1411275849 WJXQYAOKSAAYDN-UHFFFAOYSA-N 300.278 -0.104 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1C[C@H](NCC(=O)N2CCOCC2)C1 1418681135 HYADNAFQRHASME-JHJVBQTASA-N 308.382 -0.511 30 20 DBED CNC(=O)NC(=O)[C@@H](C)N1CC(NC(=O)c2cc(C#N)c[nH]2)C1 1438045338 UQHQJPHWKWCWMD-MRVPVSSYSA-N 318.337 -0.856 30 20 DBED CNS(=O)(=O)CCC(=O)N(C)C[C@H](C)NC(=O)[C@@H](C)C#N 1451029652 SXMACCCRGIECOC-UWVGGRQHSA-N 318.399 -0.952 30 20 DBED COC(=O)[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)CC(C)(C)C#N 1475555230 SVOIMUYTOSVUKR-IUCAKERBSA-N 319.383 -0.478 30 20 DBED C#CCNC(=O)CN1CCC[C@@H](NC(=O)[C@H](C)OCC#C)C1 1479902914 DSLHLSOWWSVHOV-UONOGXRCSA-N 305.378 -0.645 30 20 DBED C=CCO[C@H](C)C(=O)N1CC[C@@](C)(NC(=O)CNC(=O)O)C1 1573368460 MEDKQFYCEZBRRA-QMTHXVAHSA-N 313.354 -0.048 30 20 DBED C#CCN(C)c1nnc([C@@H]2COCCN2)n1Cc1nncn1C 1574615083 SSQFYROPFPWHMK-NSHDSACASA-N 316.369 -0.815 30 20 DBED COCC#CCN1CC(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1579617550 FJKBZTLQLFEOHK-UHFFFAOYSA-N 315.337 -0.741 30 20 DBED COCc1n[nH]c(CNc2cnc(C#N)c(-c3nn[nH]n3)n2)n1 1579843483 KKSNTEJPNKSREG-UHFFFAOYSA-N 313.285 -0.595 30 20 DBED N#Cc1cn(CC(=O)N[C@H]2C[C@H]3CN[C@@H](C3)C2)c(=O)nc1O 1580081038 PSFZFHLXFNLYNF-LSJOCFKGSA-N 303.322 -0.923 30 20 DBED O=C(CCN/C(O)=C1/N=CC=CC1=O)N[C@@H]1COC2(CNC2)C1 1580536388 MQHUWVLBSDJKEC-DZOVYVGFSA-N 320.349 -0.850 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N1CC[C@](C)(C(=O)O)C1 1588448261 ZJHKDLOMHXFURK-HNNXBMFYSA-N 310.350 -0.192 30 20 DBED C=CCn1cc(C(=O)NC2CN(C(=O)[C@@H]3C[C@H]3C(=O)O)C2)nn1 1588910478 ZSGKFMZHLHCXGH-NXEZZACHSA-N 319.321 -0.875 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1CC[C@](F)(C(=O)O)C1 1599235819 SKLBVASXBNUCDP-LLVKDONJSA-N 323.346 -0.408 30 20 DBED N#C[C@]12CN(C[C@@H]3[C@H](C(=O)O)C3(F)F)C[C@H]1CS(=O)(=O)C2 1601080014 SUIHZSYTNLSMPX-YSSBGUOXSA-N 320.317 -0.178 30 20 DBED C[C@](C#N)(CC(=O)O)C(=O)NC1CCN([C@H]2CCOC2=O)CC1 1602780601 JLHLTTAZYLOXSM-XHDPSFHLSA-N 323.349 -0.113 30 20 DBED CN(CCCc1[nH]nc(N)c1-c1nn[nH]n1)C(=O)C#CC1CC1 1604756186 OFZNTVXKTWLSBZ-UHFFFAOYSA-N 314.353 -0.024 30 20 DBED N#Cc1cnnc(N2CCN([C@]3(C(=O)O)CCOC3)CC2)c1 1608222824 XRPKCDCTAFKWRD-CQSZACIVSA-N 303.322 -0.286 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CCC(C(=O)NC)CC1 1645759585 MWDVJJCUBMXLHN-UHFFFAOYSA-N 302.400 -0.075 30 20 DBED N#Cc1cncc(S(=O)(=O)NC(=O)CCn2ccnn2)c1 1645798234 BNLXRONUTCBUOE-UHFFFAOYSA-N 306.307 -0.560 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H]1CCN(CC(=O)NC)C1 1732152900 VXNOHXISGUOFKY-QWHCGFSZSA-N 310.398 -0.606 30 20 DBED C#CCCCC(=O)N[C@@]1(CO)CCCN(C[C@@H](O)COC)C1 1733590089 OJMOUOVJUFQRIT-ZBFHGGJFSA-N 312.410 -0.260 30 20 DBED C[C@H](OCC1CC1)C(=O)N[C@H]1C[C@H](NCC(=O)NCC#N)C1 1752619321 JXPVBIQLHMLBAA-DRZSPHRISA-N 308.382 -0.322 30 20 DBED CCN(CCC#N)C(=O)CN[C@@H]1CCC[C@@H](NC(=O)C(N)=O)C1 1752975246 AJQOSLFEMNOEJD-VXGBXAGGSA-N 323.397 -0.749 30 20 DBED C#CCNC(=O)CN1CC[C@@H](CNC(=O)[C@@H](CCC)OC)C1 1753131580 YFTRMQXIZMOWBG-UONOGXRCSA-N 309.410 -0.011 30 20 DBED COCc1cccc(C(=O)NC2CN(CC(=O)NCC#N)C2)c1 1753381170 GSXVHLZULZJLJL-UHFFFAOYSA-N 316.361 -0.113 30 20 DBED C#CCNC(=O)CNC[C@@H](C)CNC(=O)c1cccn(C)c1=O 1753638714 WICKIEKTWFJWPR-GFCCVEGCSA-N 318.377 -0.910 30 20 DBED C[C@@H](CNCC(=O)NCC#N)N(C)C(=O)c1cc[n+]([O-])cc1 1753694318 VAJCHSVIQZQQLL-NSHDSACASA-N 305.338 -0.990 30 20 DBED Cc1ccnn1CC(=O)N(C)[C@H](C)CNCC(=O)NCC#N 1753715025 NUNPPAOTOIUJOK-GFCCVEGCSA-N 306.370 -0.732 30 20 DBED C=CCN[C@@H]1CCN(C(=O)CNS(=O)(=O)N(C)C)C[C@H]1C 1753760038 GEXFWPRSLKBXED-VXGBXAGGSA-N 318.443 -0.605 30 20 DBED CCc1nc(C(=O)N(C)CCCNCC(=O)NCC#N)co1 1754374886 FYOZIZGKFQQRPV-UHFFFAOYSA-N 307.354 -0.072 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCN1CC(=O)NCC 1754486732 USHLCEMFXHUZNR-KGLIPLIRSA-N 306.410 -0.589 30 20 DBED COCC#CCN1CC(N(C)C(=O)CCCCNC(N)=O)C1 1754577904 NGENDZKBRACVPQ-UHFFFAOYSA-N 310.398 -0.383 30 20 DBED CC#CCNC1(CNC(=O)[C@@]2(C)CCNC2=O)CCOCC1 1754740218 RPZXYINLEBJHPA-HNNXBMFYSA-N 307.394 -0.209 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)C=C2CCC2)CCO1 1754998763 UWBXYGBSGUYOHC-CQSZACIVSA-N 305.378 -0.337 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)[C@H](CC)NC(C)=O)CO2)C1 1755063660 NCUCDFNUDHYPGW-KBPBESRZSA-N 307.394 -0.116 30 20 DBED C=CCCN[C@H]1CN(C(=O)CCn2cc[nH]c(=O)c2=O)C[C@H]1C 1755117572 IGLUQUJFLAZSNF-OLZOCXBDSA-N 320.393 -0.061 30 20 DBED Cc1cc(=O)c(C(=O)NC[C@@H](C)N(C)CC(=O)NCC#N)c[nH]1 1755321015 DORUOSVRSFBAJO-LLVKDONJSA-N 319.365 -0.627 30 20 DBED C#CCNC(=O)CN1CC([C@@H](C)NC(=O)c2cnn(CC)n2)C1 1755375593 ZZWFXAGUXJXQEZ-LLVKDONJSA-N 318.381 -0.903 30 20 DBED CN1CC[C@H](N2C[C@H]3C(CNC(=O)C#CC4CC4)[C@@H]3C2)C1=O 1755422886 LEMOZKPIVUSUOS-KKUMJFAQSA-N 301.390 -0.076 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H](C)CN(C)C(=O)c1[nH]cnc1C 1755619979 KWBVYGIYULFLGY-PWSUYJOCSA-N 305.382 -0.094 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H](CO)CNC(=O)c1ccc(F)cc1 1755621026 GKTLNMJORYLRTH-FZMZJTMJSA-N 321.352 -0.356 30 20 DBED C#Cc1cncc(C(=O)N[C@H]2C[C@H](CNC(=O)C(N)=O)C2)c1 1756262522 LERZAAXDODOOEC-UMSPYCQHSA-N 300.318 -0.827 30 20 DBED C=C[C@@](C)(O)CC(=O)N(C)C[C@@H](C)NC(=O)Cc1n[nH]c(C)n1 1756447498 BGUKLMGCAJMOKW-MEBBXXQBSA-N 323.397 -0.054 30 20 DBED C=C(C)C[C@H](C)C(=O)N[C@@H](CO)CNC(=O)Cc1n[nH]c(C)n1 1756520947 HERBIQFMNXESID-CMPLNLGQSA-N 323.397 -0.149 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(C(=O)[C@H](C)OCC#C)C[C@@H]1O 1757168701 DBGHRCJILSXUIB-MJBXVCDLSA-N 306.362 -0.484 30 20 DBED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)CNC(C)=O)CCO2 1785424881 BKGNCURTYQWUFJ-INIZCTEOSA-N 321.377 -0.634 30 20 DBED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(C)(C)C)[C@H]2C1 1786835623 ZFCXMUIEQUYXFC-IHRRRGAJSA-N 321.421 -0.013 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnn(C)c1 1794750046 DBZIJEZCNBUAAF-DABQJJPHSA-N 302.334 -0.744 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc[n+]([O-])cc1)C2 1800453781 MJWNGMIKHFHTQJ-AGGWBTHJSA-N 315.329 -0.844 30 20 DBED C=CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(=O)N(C)C 1847813040 SNDDSPGCXQPCQF-AGIUHOORSA-N 323.393 -0.133 30 20 DBED CC(C)[C@@H](C#N)OC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 80384887 UOJRUASSYOGSKB-SECBINFHSA-N 319.321 -0.475 30 20 DBED CN1C(=O)CC[C@H](NS(=O)(=O)c2cccc(C#N)c2)C1=O 90030847 BTFDBNPJBNTTLO-NSHDSACASA-N 307.331 -0.016 30 20 DBED CN(C)CCN1CCC(NC(=O)N2CCO[C@@H](C#N)C2)CC1 106330750 NTXNHUWHDAGNBL-AWEZNQCLSA-N 309.414 -0.054 30 20 DBED C#CCCCNC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 172946565 OLKNYICRUYYRFZ-AWEZNQCLSA-N 307.394 -0.303 30 20 DBED C/N=C(/NC[C@H](O)c1cnn(C)c1)NC[C@@]1(O)CCSC1 262401885 NYRGRDSVOFIUIX-AAEUAGOBSA-N 313.427 -0.514 30 20 DBED C#CCN(C)CC(=O)Nc1cc(S(N)(=O)=O)ccc1OC 276988891 MUIGNVJEGQZZTR-UHFFFAOYSA-N 311.363 -0.154 30 20 DBED COC(=O)C[C@H](NS(=O)(=O)N(C)[C@H](C)CC#N)C(=O)OC 282977188 LUZVIRXAPVJYGR-BDAKNGLRSA-N 321.355 -0.841 30 20 DBED C=CCSCCNC(=O)C(=O)NCC(C)(C)C(=O)NC 286455442 JGDMODAHCACPFM-UHFFFAOYSA-N 301.412 -0.090 30 20 DBED CCOC(=O)COCCNS(=O)(=O)c1ccc(C#N)nc1 295591130 WNZRSATTZFIKRI-UHFFFAOYSA-N 313.335 -0.189 30 20 DBED C[C@H](CN/C(O)=N/CCN1C(=O)CCC1=O)N1CCOCC1 329499646 KBOFVPMUYBPAOO-LLVKDONJSA-N 312.370 -0.640 30 20 DBED CC[C@](C)(O)CN/C(O)=N/CCC(=O)N1CCN(C)CC1 330638302 OKSOEWPESGZUMJ-AWEZNQCLSA-N 300.403 -0.185 30 20 DBED CCC1CCC2(CC1)NC(=O)N(CC(=O)NCC#CCO)C2=O 331594503 JBLIQNOJMDMFBD-UHFFFAOYSA-N 321.377 -0.011 30 20 DBED CCO[C@H]1C[C@](CO)(NC(=O)Cn2cnc(C#N)n2)C1(C)C 332035889 PCIULFSKZYFLGB-IINYFYTJSA-N 307.354 -0.168 30 20 DBED C[C@H](CO[C@@H]1CCOC1)NS(=O)(=O)N1CCO[C@@H](C#N)C1 336901066 QOPXSHFSMYAZML-UTUOFQBUSA-N 319.383 -0.761 30 20 DBED C[C@H]1N(S(=O)(=O)N2CCO[C@H](C#N)C2)CCOC1(C)C 336943225 LCIVFKNBMOWANJ-GHMZBOCLSA-N 303.384 -0.045 30 20 DBED CNC(=O)N[C@@H]1CCN(S(=O)(=O)N(C)C[C@@H](C)C#N)C1 336946072 NZNLDTOAWJCOPV-VHSXEESVSA-N 303.388 -0.674 30 20 DBED Cn1c(NC[C@](C)(O)C(F)(F)F)c(C#N)c(=O)n(C)c1=O 340588743 LEYJEIDGYUBSNK-JTQLQIEISA-N 306.244 -0.319 30 20 DBED C=CC[C@H](CO)CNC(=O)Nc1cc(C)n(CC(=O)NC)n1 341694215 NBFSJVJTJCQLLM-NSHDSACASA-N 309.370 0.244 30 20 DBED C[C@@H]1CC[C@H](NS(=O)(=O)CCCS(=O)(=O)NCC#N)C1 349596289 XIUMSXYHWFIFMN-MNOVXSKESA-N 323.440 -0.073 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@]1(C)CCS(=O)(=O)C1 407955167 QJNSDXPZHBVGPE-WDEREUQCSA-N 323.440 -0.120 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N1CCN(CC(C)(C)O)CC1 407978302 XLIUWWCALZGXOX-LBPRGKRZSA-N 318.443 -0.146 30 20 DBED CC(C)(Oc1ccc(C#N)cc1)C(=O)NC(C(N)=O)C(N)=O 430074260 GVPXDMCBLZNWDL-UHFFFAOYSA-N 304.306 -0.829 30 20 DBED COC(=O)[C@@H]1CNC(=O)CN1CC(=O)N[C@@](C)(C#N)C(C)C 447907418 RMOAKTNVHAQTPH-HZMBPMFUSA-N 310.354 -0.986 30 20 DBED C#CCN=c1[nH]c(=NCC2(C#N)CC2)[nH]c(=NCC2(C#N)CC2)[nH]1 491181967 XIWWYYOJRNPWPR-UHFFFAOYSA-N 322.376 -0.386 30 20 DBED C#CCN(C)C(=O)C(=O)Nc1ccc(C)c(S(=O)(=O)NC)c1 491668638 KBGXUIANKQYJRT-UHFFFAOYSA-N 323.374 -0.067 30 20 DBED C#C[C@H](C)N(C)CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 491754294 SBFXCFLCIYVEDA-AWEZNQCLSA-N 322.453 -0.001 30 20 DBED C=CCOC[C@@H](NC(=O)CCN1CCOC1=O)C(=O)OC 496479446 KCSAJDPHLZYMGJ-SNVBAGLBSA-N 300.311 -0.311 30 20 DBED CS(=O)(=O)N1CC[C@@H](NS(=O)(=O)CC2(CC#N)CC2)C1 572607913 MGEXBZNRYCQMQG-SNVBAGLBSA-N 321.424 -0.366 30 20 DBED N#Cc1ccc(S(=O)(=O)NC[C@H](CC(=O)O)C(=O)O)o1 588316592 CVXZNTTZQLLTAK-LURJTMIESA-N 302.264 -0.395 30 20 DBED CCc1nc(C#N)cc(N2CCC(NS(=O)(=O)NC)CC2)n1 596221390 BVNRAOGBIPHGPT-UHFFFAOYSA-N 324.410 -0.067 30 20 DBED CCOC(=O)[C@H](CO)NC[C@@H](O)COc1ccccc1C#N 600737671 ICOMUARAPGXEKF-OLZOCXBDSA-N 308.334 -0.188 30 20 DBED CN(C)[C@H]1CN(S(=O)(=O)c2ccc(C#N)s2)C[C@@H]1O 601416096 OWUFJYRTFHNSLN-UWVGGRQHSA-N 301.393 -0.085 30 20 DBED N#CCNC(=O)CN(CCN1CCOCC1)[C@H]1CCSC1 602879561 BMIQZGFFYPEFEE-ZDUSSCGKSA-N 312.439 -0.234 30 20 DBED C=CCN(C(=O)[C@H]1CCN(C)C1=O)[C@H]1CCS(=O)(=O)C1 681536975 XAOZUUQWBFTQNE-QWRGUYRKSA-N 300.380 -0.334 30 20 DBED N#CC(C#N)=c1sc(=Cc2cccs2)c(=O)n1CC(N)=O 727162825 XODRXJCMLQBGLJ-UHFFFAOYSA-N 316.367 -0.517 30 20 DBED C#CCNC(=O)[C@@H](C)OC(=O)c1cn2nc(C)cc2[nH]c1=O 750215305 PXEGAYXOGUNGIQ-SECBINFHSA-N 302.290 -0.374 30 20 DBED C#C[C@H](NS(=O)(=O)N(C)CCC(=O)OC)[C@@H]1CCCO1 773052911 QVUKRQJGYPWRCD-QWRGUYRKSA-N 304.368 -0.504 30 20 DBED C#CCOc1ccccc1NC(=O)C(=O)NC[C@H](O)CN(C)C 773163215 IUTNZWYJZQGKOQ-LBPRGKRZSA-N 319.361 -0.324 30 20 DBED CS(=O)(=O)N1CCN(CC(=O)[C@H](C#N)c2ccccn2)CC1 778606600 ZPAUALPAHAZPEJ-GFCCVEGCSA-N 322.390 -0.165 30 20 DBED C#CCC[C@H](O)CNC(=O)C(=O)Nc1ccc(C(N)=O)cc1F 799287327 OURJDLMXXMVILZ-JTQLQIEISA-N 321.308 -0.246 30 20 DBED C#C[C@H](NC(=O)C(=O)NCCN1CCOC[C@H]1C)[C@@H]1CCCO1 809310262 BMZKNLTUHVDBPF-RDBSUJKOSA-N 323.393 -0.880 30 20 DBED C#CCCS(=O)(=O)NC(=O)[C@]12CCC(=O)N1CCS2 810785217 BPCPBYNYPDCUAW-LLVKDONJSA-N 302.377 -0.479 30 20 DBED C=C[C@H](O)C(=O)O[C@@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)C(C)C 814544613 MYLBIDALXHEWHO-OUAUKWLOSA-N 319.379 -0.596 30 20 DBED CN1C(=O)c2ccc(C(=O)NS(=O)(=O)CCC#N)cc2C1=O 821584226 VSXHIFIKTFZRRX-UHFFFAOYSA-N 321.314 -0.114 30 20 DBED CNS(=O)(=O)c1ccc(C)c(C(=O)N[C@@H]2CNC[C@H]2C#N)c1 834516723 LFZCAMWMIKXKBB-ZWNOBZJWSA-N 322.390 -0.256 30 20 DBED C#CC[C@@H](CCOC)NC(=O)N1CC[C@@H](S(=O)(=O)NC)C1 859024534 GNBCKQZGAUDUGN-NWDGAFQWSA-N 317.411 -0.252 30 20 DBED C=CCN1CC[C@H](N(C)S(=O)(=O)N=S(C)(C)=O)C1=O 867225447 RJWQMKPSCLLQIH-VIFPVBQESA-N 309.413 -0.323 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCN(C(=O)C(OC)OC)CC1 912351881 BWDDDPXYNPVDKV-ZDUSSCGKSA-N 323.393 -0.626 30 20 DBED COCCNC(=O)[C@@H](C#N)C(=O)c1ccc(OCC(N)=O)cc1 916892859 RHECDDNBWPXGEW-LBPRGKRZSA-N 319.317 -0.364 30 20 DBED Cc1nc(N2CCN([C@H](C)C(=O)N(C)CCC#N)CC2)n[nH]1 931624581 KRHCWNDJWSWSCF-LLVKDONJSA-N 305.386 -0.004 30 20 DBED CN(C(=O)c1cnnn1C)[C@@H]1CCN(C(=O)C#CC2CC2)C1 937347656 PSCCDYPAWYHTJJ-GFCCVEGCSA-N 301.350 -0.099 30 20 DBED CC(=O)N1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H](C)C#N)C1 938372999 AIEQEPMFOOJNHF-DRZSPHRISA-N 306.366 -0.126 30 20 DBED C[C@H]1CN(CC#N)CC[C@H]1NC(=O)CN1CCC(=O)NC1=O 944017082 SFXGQTHPAAKICF-WDEREUQCSA-N 307.354 -0.722 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H]1CNC(=O)c1cc(C(N)=O)c[nH]1 944248651 ICYRBPAWSJCCRW-GXSJLCMTSA-N 317.349 -0.006 30 20 DBED C#CCN1CC[C@H](NC(=O)CN2CCN(C)C(=O)C2)C[C@@H]1C 947463102 APXMPMVZNGTBNE-KBPBESRZSA-N 306.410 -0.637 30 20 DBED N#CCN1CCC2(CC1)CN(C(=O)CCn1cnnn1)CCO2 949214941 CFFLYFQSQKJTBR-UHFFFAOYSA-N 319.369 -0.720 30 20 DBED C=CCN1CC[C@H](N2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)C1=O 950528134 VMSHQDDZDHCBNZ-AGIUHOORSA-N 320.393 -0.961 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2CCN2C(=O)c2ncn(C)n2)nc1 951378016 LVBRKEBIRACSSQ-GFCCVEGCSA-N 324.344 -0.164 30 20 DBED C=C[C@](C)(CC)C(=O)N1CC(N(C)C(=O)Cn2ncnn2)C1 954349990 OKASXUVBBVUQGW-CQSZACIVSA-N 306.370 -0.055 30 20 DBED C#Cc1ccc(C(=O)N[C@@]2(C)CCN(C(=O)C(N)=O)C2)cn1 957252278 WZNIEYJICCKDIX-HNNXBMFYSA-N 300.318 -0.731 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@]1(C)CCN(C(=O)CC(N)=O)C1 957632345 JURUPAZJBRFASG-JRPNMDOOSA-N 309.366 -0.440 30 20 DBED C#CCN1C[C@H](CNC(=O)c2cc(C)c(C(N)=O)cn2)[C@@H](O)C1 958409973 XTIIITIKBGLQBV-FZMZJTMJSA-N 316.361 -0.855 30 20 DBED CC#CCN1C[C@H](O)[C@H](CNC(=O)c2cnc(OC)nc2)C1 958561733 APNXRIJXEIBWQE-OLZOCXBDSA-N 304.350 -0.469 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2ncn(C)n2)C1 958839761 YQVBXPBBYDAXPA-QWRGUYRKSA-N 321.381 -0.329 30 20 DBED C#Cc1cncc(C(=O)N(C)[C@H]2CN(C(=O)COC)C[C@@H]2O)c1 958955566 NPCVJLSBIIYSAV-KBPBESRZSA-N 317.345 -0.647 30 20 DBED C#CCN1C[C@H]2[C@H](NC(=O)[C@@H](C3CC3)N3CCOCC3)[C@H]2C1 962690334 NQSPRFNAVVTSEX-FXUDXRNXSA-N 303.406 -0.223 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)c1ccn(C)n1 964191951 ODGFFGGKJJNPAF-WDEREUQCSA-N 305.338 -0.463 30 20 DBED NC(=O)C(=O)N1CC[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2CC1 967386254 SYVNVVHZJHETHN-BETUJISGSA-N 303.362 -0.418 30 20 DBED N#CCN1CCO[C@@]2(CCN(C(=O)c3cc[n+]([O-])cc3)C2)C1 972244013 UPIFYSFQINHTJH-HNNXBMFYSA-N 302.334 -0.240 30 20 DBED C=CCN1CCO[C@]2(CCN(C(=O)[C@@H]3CN(C)C(=O)N3)C2)C1 972506029 XNEFQEPKZHMSLD-SWLSCSKDSA-N 308.382 -0.501 30 20 DBED CC(=O)N1CCOC[C@H]1C(=O)NC[C@H]1[C@@H]2CN(CC#N)C[C@H]12 979092559 QBIBUZJYUXZTIP-FQUUOJAGSA-N 306.366 -0.949 30 20 DBED C=CCn1cc(C(=O)N(C)[C@@H]2CCCN(C(=O)C(N)=O)C2)nn1 984576024 FLHRHDAXODAVNH-SNVBAGLBSA-N 320.353 -0.988 30 20 DBED C=CCN[C@H]1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)[C@@H]1C 986330677 HYFIIJCVMAUONQ-NEPJUHHUSA-N 306.366 -0.688 30 20 DBED C=CCn1cc(C(=O)N2CC(NC(=O)[C@H]3CCCOC3)C2)nn1 990473965 NJNOEVQSWVAFRS-NSHDSACASA-N 319.365 -0.169 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)c2ccc(C(N)=O)cc2)C1 991371980 CJXVEKWYKUUWNH-VIFPVBQESA-N 300.318 -0.114 30 20 DBED Cc1nc[nH]c1C(=O)N[C@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1O 991593985 QENNTQPKXQVQRP-STQMWFEESA-N 316.361 -0.177 30 20 DBED N#CCN1CC[C@@]2(NC(=O)Cn3ccc(O)nc3=O)CCC[C@@H]12 991660416 YUHRRBQSBQMZST-ABAIWWIYSA-N 317.349 -0.414 30 20 DBED C[C@H](C#N)C(=O)N1CC(NC(=O)c2cncc(C(N)=O)c2)C1 991814074 YDZFOYYYWGCEIP-MRVPVSSYSA-N 301.306 -0.719 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2CCCC(=O)N2)C1 994107100 RKWDNVYKWXBQCQ-UPJWGTAASA-N 321.377 -0.427 30 20 DBED C[C@H](C#N)C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1ncn(C)n1 996234988 IZVOKKGMRUZCNX-ZNSHCXBVSA-N 302.338 -0.164 30 20 DBED C=C1CC(C)(C(=O)NC2CN(C(=O)CN3C(=O)CNC3=O)C2)C1 999292787 IXUQOTCLNIEQTR-UHFFFAOYSA-N 320.349 -0.779 30 20 DBED C#CCNC1CC(N(C)C(=O)Cc2c(C)nc(O)nc2O)C1 999600599 WQWNMCLWRGLCGS-UHFFFAOYSA-N 304.350 -0.049 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2C[C@H]2C(N)=O)C1 999930917 MNZDTDZMHFGGKG-WYUUTHIRSA-N 307.350 -0.974 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)C1CCN(CC(N)=O)CC1 1005517861 GJNHEDABDPRTIQ-AWEZNQCLSA-N 306.410 -0.508 30 20 DBED C[C@@H](NC(=O)c1cc(C#N)c[nH]1)C1CN(C(=O)c2nc[nH]n2)C1 1005863046 QQVZFBIZTXNTEX-MRVPVSSYSA-N 313.321 -0.105 30 20 DBED N#Cc1ccc(C(=O)N[C@]23CCC[C@H]2CN(C(=O)C(N)=O)C3)[nH]1 1007332999 YHNVFKJXGGXQMU-VFZGTOFNSA-N 315.333 -0.517 30 20 DBED C=C(C)CN1CCC[C@@H](NC(=O)CN2CCN(C)C(=O)C2)C1 1007689852 CMDHLZLTWAKCNX-CQSZACIVSA-N 308.426 -0.083 30 20 DBED CC#CCN1CCC[C@H](NC(=O)[C@H]2COCCN2C(C)=O)C1 1009567739 FHGGXCOFGNNWIW-LSDHHAIUSA-N 307.394 -0.162 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)C(N)=O)[C@@H]2C)cn1 1011938154 PRXCBLLHNIXTKQ-JOYOIKCWSA-N 300.318 -0.733 30 20 DBED C=CCn1cc(C(=O)N2C[C@@H]3C(NC(=O)C(F)F)[C@H]3C2)nn1 1012639618 FDLWGPMXBQPIGE-YUMQZZPRSA-N 311.292 -0.084 30 20 DBED C=CCN1CC[C@@H](N2CC[C@@H](NC(=O)[C@@H]3[C@H]4COC[C@H]43)C2)C1=O 1015568280 NZKNLXKDPJLKFX-QMIVOQANSA-N 319.405 -0.144 30 20 DBED C[C@@H](C#N)C(=O)N1CC=C(CNC(=O)[C@H]2CCN(C)C2=O)CC1 1017650048 JXJHRMMVHWCZDX-WCQYABFASA-N 318.377 -0.101 30 20 DBED C[C@@H]1CCN(C(=O)C(N)=O)C[C@H]1CNC(=O)c1c[nH]c(C#N)c1 1018617555 IVONBVHPFRKLHX-MWLCHTKSSA-N 317.349 -0.414 30 20 DBED C[C@H](C#N)C(=O)N1CCC2(CN(C(=O)C[C@H]3CCNC3=O)C2)C1 1019088496 RHDIJANJWGVURW-VXGBXAGGSA-N 318.377 -0.267 30 20 DBED C#CCOc1ccc(C(=O)N2CC[C@H](NCC(N)=O)C2)cc1 1019478988 RFYDPZNTOGYIDQ-ZDUSSCGKSA-N 301.346 -0.012 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc3n(n2)CCC3)C1 1024213577 LBDZTZKFBOLCJB-OASPWFOLSA-N 317.349 -0.710 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2C[C@@H](NC(=O)C(N)=O)C23CCC3)[nH]1 1025902591 JWCROCLHCINHPV-GHMZBOCLSA-N 315.333 -0.471 30 20 DBED N#CCN1CCC[C@@H]1CNC(=O)[C@H]1CCc2nnc(O)n2C1 1027978542 OGUWENPXVGPWRC-WDEREUQCSA-N 304.354 -0.350 30 20 DBED C#CCN1CCC(C(=O)NC[C@@H]2CCCN2[C@@H](C)C(N)=O)CC1 1028333873 RWYITXDRFZCWHW-ZFWWWQNUSA-N 320.437 -0.214 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCC1CN([C@@H]2CCN(C)C2=O)C1 1031988607 GAZPUURTPYDETR-MCIONIFRSA-N 307.394 -0.144 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCN([C@@H]2CCN(C)C2=O)C1 1032837158 RTNMJWIBNFUKFA-QLFBSQMISA-N 318.421 -0.495 30 20 DBED CC[C@@H]1CN(C(=O)CN2C(=O)CCC2=O)CC[C@H]1NCC#N 1037988534 XJZQAOKXYBAYEQ-VXGBXAGGSA-N 306.366 -0.124 30 20 DBED C#CCN1CCC(C(=O)NC[C@H]2CCN2[C@@H](C)C(N)=O)CC1 1039041844 HQYZMKPMVCLJAE-GXTWGEPZSA-N 306.410 -0.604 30 20 DBED C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CN1C(=O)CNC1=O 1039467633 VGDGPKNLYWBBOH-NEPJUHHUSA-N 306.366 -0.211 30 20 DBED C#CCOCCC(=O)N1CC[C@](O)(CNC(=O)C#CC(C)C)C1 1039668103 NUVJVBHRHKHWPF-KRWDZBQOSA-N 320.389 -0.235 30 20 DBED C[C@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)c2ncccc2O)C1 1040759643 CCZQFBBGGZIQRM-MEBBXXQBSA-N 318.333 -0.360 30 20 DBED Cc1c[nH]c(C(=O)N2CC[C@@](O)(CNC(=O)[C@@H](C)C#N)C2)n1 1040760886 ALYIZTJJYGASLM-LKFCYVNXSA-N 305.338 -0.429 30 20 DBED C=CCCC(=O)N1CC[C@](O)(CNC(=O)[C@@H](COC)OC)C1 1040843525 QYRAZIYRXMWDSX-DOMZBBRYSA-N 314.382 -0.306 30 20 DBED COC[C@H](OC)C(=O)NC[C@@]1(O)CCN(C(=O)C#CC2CC2)C1 1040844268 TWRIJLDUVLPPOT-BBRMVZONSA-N 324.377 -0.859 30 20 DBED C=CCN1CC[C@@]2(CCN(C(=O)CN3CCN(C)C(=O)C3)C2)C1 1041420292 ADUKUVKDTDXKHL-QGZVFWFLSA-N 320.437 -0.129 30 20 DBED C#CCN1CC[C@@]2(CCN(C(=O)[C@@H]3CCS(=O)(=O)N3)C2)C1 1041835971 NGWLEZCWDUUHNA-GXTWGEPZSA-N 311.407 -0.764 30 20 DBED C#CCNC(=O)CC(=O)N1CC(O)(CNC(=O)CCC2CC2)C1 1042181523 AVQXZQGCBYTRDW-UHFFFAOYSA-N 321.377 -0.994 30 20 DBED C#CCNC(=O)CC(=O)N1CC(O)(CNC(=O)C[C@H](C)CC)C1 1042787250 AWURMGAUVDTTAP-GFCCVEGCSA-N 323.393 -0.748 30 20 DBED C[C@@H]1OCCC[C@@H]1C(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1042809231 JCUPPLXUZOUROW-JSGCOSHPSA-N 320.389 -0.096 30 20 DBED C=C(C)CCC(=O)N1CC(O)(CNC(=O)CCNC(N)=O)C1 1042991490 GOXXTXQPMVRDPS-UHFFFAOYSA-N 312.370 -0.909 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CC23CCC3)C1 1043072604 CWVFGFFLUPGHNV-ZDUSSCGKSA-N 320.389 -0.094 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2cncn2C)C1 1043754051 BECQDFSHZQVFAA-NSHDSACASA-N 322.365 -0.686 30 20 DBED Cn1nccc1C(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@@H]1O 1043864402 IGWHMPGVZSELQE-YPMHNXCESA-N 312.333 -0.334 30 20 DBED C#CCN[C@H]1CCN(C(=O)CN2C(=O)CN(C)C2=O)[C@H](C)C1 1044847579 CGUQASAVROQDNM-NEPJUHHUSA-N 306.366 -0.517 30 20 DBED CC(C)(C)C#CC(=O)N1CC(O)(CNC(=O)c2ccncn2)C1 1045165657 ULNODFNGZBKICN-UHFFFAOYSA-N 316.361 -0.171 30 20 DBED C=CCCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2cnon2)C1 1045184102 AFLLNOJVZAOVGK-JTQLQIEISA-N 324.337 -0.646 30 20 DBED C#CCN1CCC2(CC1)CO[C@H](CNC(=O)[C@@H]1CCNC1=O)C2 1045677192 OFWKUQSEQYBZER-UONOGXRCSA-N 319.405 -0.257 30 20 DBED C#CCN1CC[C@H](N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 1046010760 UHMLBPIQEKVMBR-HOTGVXAUSA-N 304.438 -0.068 30 20 DBED C=C(C)CN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 1047529394 AREAMFVAGSOUPL-RFGFWPKPSA-N 309.410 -0.032 30 20 DBED C#CCOc1ncccc1C(=O)N(C)[C@H]1CN(CCO)C[C@@H]1O 1047601591 BSQADVJUTHZJEZ-KBPBESRZSA-N 319.361 -0.797 30 20 DBED Cn1cc(C(N)=O)cc1C(=O)N1C[C@@H]2CN(CC#N)C[C@@H]2C1 1048921056 QFLFSJFJJIRWEU-TXEJJXNPSA-N 301.350 -0.349 30 20 DBED C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1cnc(O)n(C)c1=O 1049633757 LUNSMOPIIGCHEF-CHWSQXEVSA-N 316.361 -0.202 30 20 DBED C#CCN1CCN([C@H]2CCN(C(=O)CC3OCCCO3)C2)CC1 1052017443 JAFBWARFMIADRV-HNNXBMFYSA-N 321.421 -0.009 30 20 DBED C=CCN1CCN([C@H]2CCN(C(=O)[C@@H]3CCC(=O)NC3)C2)CC1 1052048242 OSMSRPRHSAYWRV-CABCVRRESA-N 320.437 -0.083 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2ncn(C)n2)C[C@@H]1C 1052501685 CMNKPEFQTLHEGA-RYUDHWBXSA-N 321.381 -0.158 30 20 DBED CC(=O)N1CCC[C@@H](C(=O)N2CCOC3(CN(CC#N)C3)C2)C1 1053332377 YLBPCXYWYPPABN-CQSZACIVSA-N 320.393 -0.318 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)c1cn(C)c(=O)cn1)CCO2 1053352425 OHCBTQIXSKYEPY-UHFFFAOYSA-N 316.361 -0.670 30 20 DBED N#CCN1CC2(C1)CN(C(=O)[C@H]1CCCCN1C(N)=O)CCO2 1053504755 PFJTZMYRWDLMEU-GFCCVEGCSA-N 321.381 -0.644 30 20 DBED C#Cc1ccc(C(=O)N2CCOC3(CN(C[C@@H](C)O)C3)C2)nc1 1053511993 JIVWOFDSSFTLHM-CYBMUJFWSA-N 315.373 -0.030 30 20 DBED N#Cc1cnc(N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)Cn2nccn2)cn1 1055114569 LVCDBWDHJINUFO-AGIUHOORSA-N 324.348 -0.134 30 20 DBED Cc1nc[nH]c1C(=O)N1CCC[C@](CO)(NC(=O)[C@@H](C)C#N)C1 1056095517 CHKPJXCLSRXJPI-BONVTDFDSA-N 319.365 -0.039 30 20 DBED N#Cc1cnc(N2C[C@@H]3C(NC(=O)Cn4nccn4)[C@H]3C2)cn1 1056315877 MAPDBZYCMLDQSW-QWRGUYRKSA-N 310.321 -0.809 30 20 DBED N#CCSCC(=O)N(CCO)CCNC(=O)c1ccncc1 1057026823 MWCMLBJIECTOQP-UHFFFAOYSA-N 322.390 -0.111 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)CCn1cccn1 1057193518 IEBHREQCGDTQMT-UHFFFAOYSA-N 324.381 -0.587 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)c1nnn(C)c1C 1057258583 JTXHJSVFRBYZNO-UHFFFAOYSA-N 321.381 -0.522 30 20 DBED O=C(C#CC1CC1)NCCN(CCO)C(=O)C1=CCOCC1 1057408554 JHPGCVHGPMXRDF-UHFFFAOYSA-N 306.362 -0.316 30 20 DBED N#Cc1ccc(N2CCC(NC(=O)[C@@H]3COCCO3)CC2)nn1 1057840890 YNOWNKPHWWJRHK-ZDUSSCGKSA-N 317.349 -0.151 30 20 DBED N#Cc1cncc(N2CCC[C@@H](NC(=O)Cn3cncn3)C2)n1 1058159998 FLNCGRHYKSUIOJ-LLVKDONJSA-N 312.337 -0.275 30 20 DBED Cn1ncc(C(=O)N[C@H]2CCCN(c3ccnc(C#N)n3)C2)n1 1058175311 IRKJIRGBBUXGTK-JTQLQIEISA-N 312.337 -0.124 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)c1cc(C#N)c[nH]1 1058653553 YMRCJDNIAHJILL-JTQLQIEISA-N 303.322 -0.403 30 20 DBED Cn1ccc(C(=O)N[C@H]2C[C@H](N=c3cc[nH]c(C#N)n3)C2)cc1=O 1059458865 UUFYNGUAZSXCQX-HAQNSBGRSA-N 324.344 -0.158 30 20 DBED N#Cc1ccc(NC[C@@H]2CCN(C(=O)C3(C(N)=O)CC3)C2)nn1 1060967095 ILDQRLSNZNVXRX-JTQLQIEISA-N 314.349 -0.126 30 20 DBED C=CCO[C@@H](C)C(=O)NC[C@H]1COCCN1C(=O)c1cnon1 1061668187 MROCDWSXWLSEOL-QWRGUYRKSA-N 324.337 -0.382 30 20 DBED C#CCCCC(=O)N1CCOC[C@H]1CNC(=O)c1cnn[nH]1 1061697067 JDZWAWGOSBALPO-LLVKDONJSA-N 305.338 -0.435 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)C(=O)NCC1CC1 1061824287 MEUADXPIXFUSSX-PWSUYJOCSA-N 322.365 -0.984 30 20 DBED Cc1[nH]nc(C(=O)N2CCOC[C@@H]2CNC(=O)[C@H](C)C#N)c1O 1061848364 QBWISTXESOICBK-SCZZXKLOSA-N 321.337 -0.459 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H]1CCCN1C(=O)[C@H]1CCNC1=O 1063538607 AOVIYLVBZSGXJS-OLZOCXBDSA-N 313.361 -0.086 30 20 DBED C[C@H]1CN(C(=O)CC(N)=O)CC[C@H]1Nc1ccc(C#N)nn1 1063714118 TWEKQCNMNUEAGG-GXSJLCMTSA-N 302.338 -0.127 30 20 DBED Cc1nn[nH]c1C(=O)N[C@@H]1[C@H]2C[C@H]1N(c1nccnc1C#N)C2 1064324878 PJCSBTNLFXTANB-MKPLZMMCSA-N 310.321 -0.218 30 20 DBED N#Cc1nccnc1N1CC[C@H]2CCN(C(=O)C(N)=O)C[C@H]21 1064699664 YVORXCJRIYTQJB-MWLCHTKSSA-N 300.322 -0.739 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2cnn(C)c2)CCO1 1064842364 CHNSQLDWFIBWRC-CYBMUJFWSA-N 322.365 -0.420 30 20 DBED CNC(=O)CC(=O)N1CCO[C@@H](CNC(=O)C#CC(C)(C)C)C1 1065078491 GJSQCGBGMDAULS-LBPRGKRZSA-N 323.393 -0.484 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)c2cc(=O)n(C)o2)CCO1 1065086954 GKIGTSMWPSWOJG-LLVKDONJSA-N 323.349 -0.098 30 20 DBED C[C@]1(NC(=O)[C@H]2CNC(=O)N2)CCN(c2cncc(C#N)n2)C1 1065325951 JWHNPIGNBWWKQE-YGRLFVJLSA-N 315.337 -0.885 30 20 DBED C=CCCOCC(=O)NC[C@@H]1CN(C(=O)c2cnon2)CCO1 1065509765 HPXABMGGBWAGIC-LLVKDONJSA-N 324.337 -0.381 30 20 DBED Cc1cncn1CC(=O)NC[C@H]1CN(C(=O)[C@H](C)C#N)CCO1 1065560205 JDBYTYNCUDJCTL-YPMHNXCESA-N 319.365 -0.305 30 20 DBED CN(C(=O)c1cc[nH]n1)[C@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1065568593 GGYOOQJXKZOJMX-RYUDHWBXSA-N 313.321 -0.607 30 20 DBED COC(=O)NCC(=O)N[C@H]1CCCN(C(=O)[C@H](C)C#N)CC1 1065917861 IQIWMQRMMCNUBX-MNOVXSKESA-N 310.354 -0.001 30 20 DBED Cc1nn[nH]c1C(=O)N1C[C@@H](C)[C@@H](N=c2cc[nH]c(C#N)n2)C1 1067181648 XXXNPKFLBDKYPS-SCZZXKLOSA-N 312.337 -0.231 30 20 DBED C=C[C@H](C)[C@H](C)C(=O)N1CC2(CN(C(=O)C(N)=O)CCO2)C1 1068448807 UBLNSEMRETXYNL-QWRGUYRKSA-N 309.366 -0.630 30 20 DBED N#Cc1cnc(NC[C@H]2C[C@H](NC(=O)[C@@H]3CNC(=O)N3)C2)cn1 1068577328 OIWXCTAKRVDUOD-QXEWZRGKSA-N 315.337 -0.664 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1COC2(C1)CN(C(=O)CSCC#N)C2 1069004122 TWJUCNOYJZJJMM-MNOVXSKESA-N 322.390 -0.111 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CCCN(C(=O)CNC(N)=O)C2)[nH]1 1070405316 IHYJDIQJDCACSX-SNVBAGLBSA-N 318.337 -0.725 30 20 DBED Cn1nnc(C(=O)NCc2c[nH]nc2[C@@H]2CCN(CC#N)C2)n1 1070419674 GATNHAXERLCMRC-SECBINFHSA-N 315.341 -0.824 30 20 DBED CC#CCN1C[C@H]2C[C@H]3CN(C(=O)[C@H]4COC(=O)N4)C[C@@]3(C1)O2 1070793786 PXPRRFFCAAAAOK-VPWBDBDCSA-N 319.361 -0.580 30 20 DBED N#CCN1C[C@H]2C[C@H]3CN(C(=O)Cc4ncc[nH]4)C[C@@]3(C1)O2 1070874229 HRQJYRYOUJRKCI-YWPYICTPSA-N 301.350 -0.223 30 20 DBED Cc1c[nH]nc1C(=O)N1CCC(=O)NCCN(CC#N)CC1 1070963382 OVJLGEBBCMLMFE-UHFFFAOYSA-N 304.354 -0.494 30 20 DBED C[C@@H]1CC[C@H](C(=O)N2CCC(=O)NCCN(CC#N)CC2)O1 1071001675 LBLSZLJPAPLFBH-CHWSQXEVSA-N 308.382 -0.272 30 20 DBED C=CCOCC(=O)N1C[C@H](C)[C@H](NC(=O)CN(C)C(C)=O)C1 1071809465 VDWCGXTZRYMEQL-WCQYABFASA-N 311.382 -0.370 30 20 DBED C[C@H]1CC[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)CN1CC#N 1071991432 FQELXDGNRRYGBU-UWVGGRQHSA-N 315.337 -0.476 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CN(CC(N)=O)CCCO1 1073774911 LQRQYYMFYXIKRJ-XQQFMLRXSA-N 311.382 -0.730 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)c3cc(=O)n(C)o3)C[C@@H]21 1074226560 SEEYSSWXNXFFDG-NWDGAFQWSA-N 305.334 -0.473 30 20 DBED C#CCCCCC(=O)N[C@@H](C)CCNC(=O)Cn1cnnn1 1075560913 LXPSNPNYASPFNN-LBPRGKRZSA-N 306.370 -0.122 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)[C@@H](C)SC 1076218105 WCYVIAWAZOVLGA-WDEREUQCSA-N 313.423 -0.112 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)c1cnc(C)[nH]1 1076219186 XJYZYQMRESMRCJ-JTQLQIEISA-N 319.365 -0.518 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3nccn3C2)C1 1077259143 IYBHKWZJJZDKFM-MGPQQGTHSA-N 302.378 -0.370 30 20 DBED C=CC(C)(C)C(=O)N[C@@H](C)CCNC(=O)CN1CCNC(=O)C1 1077723163 PMNFHIMSZRMGMS-LBPRGKRZSA-N 324.425 -0.359 30 20 DBED CNS(=O)(=O)CCC(=O)N[C@@H](C)CCNC(=O)[C@H](C)C#N 1078138045 PRGQBOIAIOAWKJ-ZJUUUORDSA-N 318.399 -0.904 30 20 DBED C=CCOCC(=O)N(CC)C1CN(C(=O)[C@H]2CN(C)C(=O)N2)C1 1079493809 HYWIXUHIMIOTOJ-GFCCVEGCSA-N 324.381 -0.728 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(N(CC)C(=O)c2ncn(C)n2)C1 1079716789 ICITUTRNSLLGSQ-HNNXBMFYSA-N 321.381 -0.185 30 20 DBED C[C@@H](C#N)C(=O)NC1(CO)CCN(C(=O)c2cnnn2C)CC1 1080979836 BZAUFTMLXPWPCL-JTQLQIEISA-N 320.353 -0.942 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)c2cnnc(O)c2)C[C@@H]1O 1081338019 LINCXJJTNUUOCA-NEPJUHHUSA-N 320.349 -0.303 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2ccc[nH]2)C[C@H]1O 1081343410 BUTWJTQIWBEKLN-WCQYABFASA-N 307.350 -0.234 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2conc2C)C[C@@H]1O 1081344476 QNGCSAYLJMXDDT-AAEUAGOBSA-N 323.349 -0.265 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)c2cn(C)cn2)C[C@@H]1O 1081442500 VSLLACJLHHQKKM-OCCSQVGLSA-N 318.377 -0.227 30 20 DBED C#CCOCCC(=O)NC[C@H]1CN(C(=O)C=C(C)C)C[C@H]1O 1081486717 WEBRKFXTXNEYBG-UONOGXRCSA-N 308.378 -0.072 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 1081489128 QDAABIQCYDOSOO-CABCVRRESA-N 318.373 -0.625 30 20 DBED C=CCCCC(=O)NC[C@@H]1CN(C(=O)Cc2nc[nH]n2)C[C@@H]1O 1081705981 WVAZZNSXVXNJEC-NEPJUHHUSA-N 321.381 -0.361 30 20 DBED C=C(Cl)C(C)(C)C(=O)N1C[C@@H](O)[C@@H](CNC(=O)C(N)=O)C1 1081719120 MUIZRYWMIJXWBK-DTWKUNHWSA-N 317.773 -0.814 30 20 DBED C#CCCN1C[C@@H](NC(=O)c2cnn(C)c2OC)[C@H](OC)C1 1082345758 ACBTWZSVONGNSB-CHWSQXEVSA-N 306.366 -0.119 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)Cc1cn(CC)nn1 1083150525 BJKLKTKQJBRDQM-LSDHHAIUSA-N 317.393 -0.225 30 20 DBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(CCCO)C[C@@H]1O 1083848618 ODLSTDPAUKZTNF-XGUBFFRZSA-N 312.410 -0.099 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCCC[C@H]2NCC(N)=O)nn1 1085357398 STMZTZKAUDOTIY-GHMZBOCLSA-N 306.370 -0.420 30 20 DBED Cn1cc([C@@H]2CN(C(=O)c3ncn(C)n3)C[C@H]2NCC#N)cn1 1086977726 LGMXWQWVOVVRRV-NWDGAFQWSA-N 314.353 -0.730 30 20 DBED Cn1cc([C@@H]2CN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C[C@H]2NCC#N)cn1 1086992365 VUMUBMHUHANJAW-VQJWOFKYSA-N 315.377 -0.280 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CCN(CC(N)=O)C[C@H]2C1 1087997836 BIYPOAWDALHCOR-ILXRZTDVSA-N 318.421 -0.650 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)c3cn(C)c(=O)n3C)C[C@@H]2C1 1088215114 RNJMQTQHZTZQMF-OLZOCXBDSA-N 302.378 -0.249 30 20 DBED C[C@H](CCCCN=c1cc[nH]c(C#N)n1)NC(=O)CNC(N)=O 1090024306 AUHYQAOLSHAUAB-SNVBAGLBSA-N 319.369 -0.475 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2cnc3[nH]nnc3c2)[C@@H](O)C1 1090328297 ZXKXXJIIKGSLLS-AAEUAGOBSA-N 314.349 -0.459 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cn(C)c(C)cc2=O)[C@H](O)C1 1090342084 NVEFPLTXEVCZJA-DZGCQCFKSA-N 303.362 -0.508 30 20 DBED N#Cc1nccnc1N1C[C@@H](O)[C@H](NC(=O)COCC2CC2)C1 1090394328 BPLPYAXBRKOIRK-CHWSQXEVSA-N 317.349 -0.559 30 20 DBED C=CCN1CC[C@@H](NC(=O)c2cc(=O)c(OC)c[nH]2)[C@H](O)C1 1090432160 ISOJDAWBEGEZKM-ZWNOBZJWSA-N 307.350 -0.266 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2cc(=O)c(OC)co2)[C@H](O)C1 1090433132 OVELUIAGYGZTSV-WCQYABFASA-N 320.345 -0.163 30 20 DBED N#Cc1cccc(CN2CC[C@H](NC(=O)C(N)=O)[C@H](O)C2)c1 1090531122 ILGWRMDGSOSSGR-QWHCGFSZSA-N 302.334 -0.905 30 20 DBED N#Cc1ccc(CN2CC[C@H](NC(=O)C(N)=O)[C@H](O)C2)c(F)c1 1090533844 KWCOGONNLALGLV-QWHCGFSZSA-N 320.324 -0.766 30 20 DBED COC[C@@H](OC)C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1C 1090821422 OIFHUAUBTWAZBB-RAIGVLPGSA-N 319.365 -0.049 30 20 DBED COCC(=O)N[C@@H]1CCN(c2ncc(C#N)cc2F)C[C@H]1O 1092126550 ODXUZBGQIGLORM-VXGBXAGGSA-N 308.313 -0.205 30 20 DBED COCCCC(=O)N[C@H]1CCN(c2cncc(C#N)n2)C[C@@H]1O 1092137332 LKXYXXAKTDIWHZ-STQMWFEESA-N 319.365 -0.169 30 20 DBED CNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1C#N 1092956641 NHRKNEQIQNICOJ-FOGDFJRCSA-N 314.349 -0.290 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1[C@@H]2CN(c3nccnc3C#N)C[C@@H]21 1093265601 IWOASGMSSBTBOE-HBYGRHMLSA-N 324.344 -0.961 30 20 DBED N#Cc1nc(=NCCNC(=O)C[C@H]2CCCCC(=O)N2)cc[nH]1 1093775979 QCAKYIGPZCASQY-LLVKDONJSA-N 316.365 -0.253 30 20 DBED N#Cc1nccnc1NCCNC(=O)[C@H]1CCCN(C(N)=O)C1 1093992769 IREONUBWOUXLFV-JTQLQIEISA-N 317.353 -0.333 30 20 DBED Cn1ncc(CCC(=O)NCCNc2nccnc2C#N)n1 1094121309 CFAPLEWOMRUVPJ-UHFFFAOYSA-N 300.326 -0.362 30 20 DBED C[C@H](C(=O)NCCNc1cncc(C#N)n1)[C@@H]1CCC(=O)N1 1094132911 IRLWXRSVTYWTFE-ONGXEEELSA-N 302.338 -0.209 30 20 DBED N#Cc1ccc(NCCCNC(=O)Cn2cnnc2O)nc1 1094373978 UHZFHGYKJNGYAR-UHFFFAOYSA-N 301.310 -0.131 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)C[C@@H]3CCCCO3)CC2=O)C1 1094719155 AEDKGVQTLGEHAX-ZFWWWQNUSA-N 319.405 -0.020 30 20 DBED N#CCN1CC(N2C[C@@H](NC(=O)c3ccc(F)cn3)CC2=O)C1 1094726823 AKBSAENJQIHYHB-NSHDSACASA-N 317.324 -0.241 30 20 DBED C=C(C)CN1CC(N2C[C@@H](NC(=O)c3[nH]nnc3C)CC2=O)C1 1094771376 JMCZYXDRADQRJN-NSHDSACASA-N 318.381 -0.296 30 20 DBED CNC(=O)NCCC(=O)N[C@@H]1CCN(c2ccc(C#N)cn2)C1 1096368204 BGKRMWSKZYPSGO-GFCCVEGCSA-N 316.365 -0.033 30 20 DBED N#Cc1nccnc1N[C@@H](CNC(=O)CNC(N)=O)C1CC1 1096566671 ZPWFGIREJACASW-JTQLQIEISA-N 303.326 -0.677 30 20 DBED N#Cc1nc(=N[C@H](CNC(=O)[C@@H]2COCCO2)C2CC2)cc[nH]1 1096600865 NVYIWMIGXOUCPG-NEPJUHHUSA-N 317.349 -0.508 30 20 DBED CS(=O)(=O)CC(=O)NC[C@@H](Nc1ccc(C#N)nn1)C1CC1 1096612369 ZLKURIYOUBGQSS-LLVKDONJSA-N 323.378 -0.300 30 20 DBED CNC(=O)CC(=O)NC[C@H](Nc1cncc(C#N)n1)C1CC1 1096652698 AGWSLCJOPHYUAS-NSHDSACASA-N 302.338 -0.209 30 20 DBED N#Cc1cncc(N[C@@H](CNC(=O)CCNC(N)=O)C2CC2)n1 1096668999 MJHZEUBGZXRMIO-NSHDSACASA-N 317.353 -0.287 30 20 DBED CC(=O)N(C)CC(=O)N1CC[C@H](Nc2cncc(C#N)n2)C1 1096918563 XIXKTOJXVFEAQN-NSHDSACASA-N 302.338 -0.161 30 20 DBED CCS(=O)(=O)CC(=O)NC[C@@H](C)N=c1cc[nH]c(C#N)n1 1097899994 GJOCMJRKZVZIOW-SECBINFHSA-N 311.367 -0.879 30 20 DBED C[C@@H](CNC(=O)COc1cnn(C)c1)N=c1cc[nH]c(C#N)n1 1098254597 RDPURBMYUUUEGG-JTQLQIEISA-N 315.337 -0.501 30 20 DBED C[C@H]1C[C@@H]1C(=O)N1CCC(N(CCO)CC(=O)NCC#N)CC1 1098453254 LWENFZVSLFDCHJ-JSGCOSHPSA-N 322.409 -0.433 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H]1CCC(C)(C)CN1CC(N)=O 1099034352 WXXDHZAXNTUUNA-GFCCVEGCSA-N 322.409 -0.782 30 20 DBED COCC#CCN1CC[C@H](NC(=O)Cc2cc(C)on2)[C@@H](O)C1 1099744792 XGMWVNRLBKBVJA-GJZGRUSLSA-N 321.377 -0.273 30 20 DBED NC(=O)CC(=O)N[C@H]1CCN(CC#Cc2ccccc2)C[C@H]1O 1099757805 JZMVLVXSJWHPND-LSDHHAIUSA-N 315.373 -0.535 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)C2=CCOCC2)[C@H](O)C1 1099783025 KIDZSHLJJGMCMV-ZIAGYGMSSA-N 323.393 -0.813 30 20 DBED Cn1cnnc1CN1CC[C@H](NC(=O)C#CC(C)(C)C)[C@H](O)C1 1099826786 QABXWZACBBOZRB-QWHCGFSZSA-N 319.409 -0.084 30 20 DBED Cc1ncnc(O)c1CCC(=O)N[C@@H]1CCN(CC#N)C[C@@H]1O 1099903178 BJUOUWBCZMCYHR-OLZOCXBDSA-N 319.365 -0.502 30 20 DBED CC(=O)N(C)CC(=O)NCCN(C)c1nc(C)cc(C#N)n1 1099938979 RABOVJQGIALLIG-UHFFFAOYSA-N 304.354 -0.313 30 20 DBED CN1C[C@@H](C(=O)NCCN(C)c2cncc(C#N)n2)CCC1=O 1100150756 OUIWIKUDYFLXLD-NSHDSACASA-N 316.365 -0.231 30 20 DBED C#CCNC(=O)[C@H](C)NC1CC(CNC(=O)c2n[nH]cc2C)C1 1100306784 YSJJJQODPDABKD-HIFPTAJRSA-N 317.393 -0.046 30 20 DBED CC(C)(C(N)=O)C(=O)NC[C@H]1CCCN1c1cnc(C#N)cn1 1100877298 XHXSUWWPIQSCGW-LLVKDONJSA-N 316.365 -0.055 30 20 DBED CC(=O)N(C)CC(=O)NC[C@@H]1CCN(c2cncc(C#N)n2)C1 1100960416 ZIBJTCLQJIGRIQ-LBPRGKRZSA-N 316.365 -0.231 30 20 DBED N#Cc1nccc(N(CCNC(=O)C2(C(N)=O)CC2)C2CC2)n1 1101443131 VAOJDSRSTIUQAO-UHFFFAOYSA-N 314.349 -0.301 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@H]1CN(Cc2nnnn2C)C[C@H]1C 1101916580 GRCQAPGJKXUEMW-JMSVASOKSA-N 322.413 -0.279 30 20 DBED C=CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)Cn2cncn2)C1 1102559023 YHUFUHHXIZBAAC-CHWSQXEVSA-N 320.397 -0.736 30 20 DBED C[C@H](NC(N)=O)C(=O)N(C)[C@H]1CCN(c2cncc(C#N)n2)C1 1102700711 WYOUGFKANZXXMC-ONGXEEELSA-N 317.353 -0.558 30 20 DBED CCN(C(=O)CNC(C)=O)[C@@H]1CCN(c2nccnc2C#N)C1 1102771201 FFARTYQUOYUBPC-GFCCVEGCSA-N 316.365 -0.088 30 20 DBED C[C@H](CNC(=O)[C@H]1COCCO1)CNc1cncc(C#N)n1 1103879266 AJZJFYPKIQJGSQ-CMPLNLGQSA-N 305.338 -0.072 30 20 DBED CCNC(=O)CCC(=O)NC[C@@H](C)CN=c1cc[nH]c(C#N)n1 1103900092 JNPZUHJAKMMTQS-NSHDSACASA-N 318.381 -0.149 30 20 DBED C[C@@H]1CN(C(=O)CNC(N)=O)CC[C@H]1Nc1nccnc1C#N 1105029950 LAFWVJKDRSARTF-NXEZZACHSA-N 317.353 -0.335 30 20 DBED CC(C)[C@H](CNC(=O)[C@H](C)NC(N)=O)Nc1cncc(C#N)n1 1105178350 WSUSEXLUYRJISU-ONGXEEELSA-N 319.369 -0.042 30 20 DBED C[C@H]1CO[C@@H](C(=O)N2CC(n3cc(CNCC#N)nn3)C2)C1 1105285428 NFZFHGOCQXYVDW-ZWNOBZJWSA-N 304.354 -0.300 30 20 DBED Cc1[nH]nc(C(=O)NC[C@@H](O)CN=c2cc[nH]cc2C#N)c1O 1105819718 JRKPUTSVEWRGLA-JTQLQIEISA-N 316.321 -0.685 30 20 DBED Cc1ncc(C(=O)NC[C@H](O)CNc2cnc(C#N)cn2)n1C 1106092758 MUDPMVBZSASHPA-LLVKDONJSA-N 315.337 -0.407 30 20 DBED C[C@@H]1CCCN1CC(=O)NC[C@@H](O)CNc1nccnc1C#N 1106108040 FVUDNFXEXZJUSM-VXGBXAGGSA-N 318.381 -0.278 30 20 DBED CC[C@H](NC(C)=O)C(=O)NC[C@@H](O)CNc1nccnc1C#N 1106123048 IWEIWQFETLRHKD-QWRGUYRKSA-N 320.353 -0.848 30 20 DBED CC[C@@H](NC(C)=O)C(=O)NC[C@H](O)CNc1ccc(C#N)nn1 1106123996 VCDBIQFDDMGQHD-VXGBXAGGSA-N 320.353 -0.848 30 20 DBED C=CCNC[C@@H]1CN(C(=O)CS(=O)(=O)CCOC)C[C@H]1C 1106329524 BYOTYYHHFLAUDW-CHWSQXEVSA-N 318.439 -0.082 30 20 DBED CN1C[C@@H](C(=O)NC/C=C/CN=c2cc[nH]c(C#N)n2)CC1=O 1107568640 LMTQTWJDRZLOIM-VUDBWIFFSA-N 314.349 -0.667 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)[C@@H]1COCCN1C 1107694781 ZUOXYPCGZAUMAR-MNOVXSKESA-N 304.354 -0.983 30 20 DBED C[C@]1(CNC(=O)C2CC=CC2)CN(CC(=O)NCC#N)CCO1 1107833429 HMINIBQORZSTBK-INIZCTEOSA-N 320.393 -0.201 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](C)NC(=O)Cn2ncnn2)n1 1107943366 PQRDCYPCICBDFH-SECBINFHSA-N 301.314 -0.740 30 20 DBED COCC#CCN1CCO[C@@](C)(CNC(=O)c2cncn2C)C1 1108053509 RHQKTAJIYROWRW-INIZCTEOSA-N 320.393 -0.109 30 20 DBED C=C(C)CN1CCO[C@](C)(CNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 1108248793 QVJOALZFKBBYNT-XHDPSFHLSA-N 324.381 -0.632 30 20 DBED CNS(=O)(=O)CC(=O)N[C@@H](C)CNc1ccc(C#N)cn1 1108388626 NMISLEZEFAURIO-VIFPVBQESA-N 311.367 -0.581 30 20 DBED C#CCCCCC(=O)N[C@@H]1CC(=O)N(C2CN(CCO)C2)C1 1108537871 WZDFWYSXKFOAHL-CYBMUJFWSA-N 307.394 -0.426 30 20 DBED CC(C)(C)C#CC(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1 1108544674 IAABNBLGBNFVGN-LBPRGKRZSA-N 302.378 -0.039 30 20 DBED C=CCCCC(=O)N[C@H]1CC(=O)N(C2CN(CC(N)=O)C2)C1 1108568031 HONQZZISFHIAQP-NSHDSACASA-N 308.382 -0.771 30 20 DBED N#Cc1ccc(NC[C@H](NC(=O)Cn2ncnn2)C2CC2)nc1 1109918007 TVWOGHPIOQNDEG-LBPRGKRZSA-N 312.337 -0.053 30 20 DBED Cc1cc(=NC2(CNC(=O)[C@H](C)NC(N)=O)CC2)c(C#N)c[nH]1 1110104549 BZBHZDYYHONPIJ-JTQLQIEISA-N 316.365 -0.199 30 20 DBED N#Cc1cncc(NC2(CNC(=O)[C@@H]3CCNC3=O)CC2)n1 1110302219 WKNWWWKESNGQCO-SNVBAGLBSA-N 300.322 -0.455 30 20 DBED Cc1cc(C#N)nc(N2CC[C@](C)(NC(=O)CNC(N)=O)C2)n1 1110709402 YMIWGDUVJVDDAE-AWEZNQCLSA-N 317.353 -0.590 30 20 DBED C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC#N 1111065006 LUHCATQHIGQMSX-DBIOUOCHSA-N 300.384 -0.831 30 20 DBED N#Cc1cncc(NC2(CNC(=O)[C@H]3C[C@H]3C(N)=O)CCC2)n1 1111904103 JMPJFIIANTUOQK-MNOVXSKESA-N 314.349 -0.080 30 20 DBED CC(=O)NCC(=O)N[C@H]1CCN(c2ccnc(C#N)n2)C[C@@H]1C 1112387079 AAVVXYWVFSUKFI-JQWIXIFHSA-N 316.365 -0.185 30 20 DBED C[C@@H](OCC1CC1)C(=O)N1CCN(CC(=O)NCC#N)CC1 1112671978 XUXNIZQYQDYBMI-GFCCVEGCSA-N 308.382 -0.415 30 20 DBED N#Cc1nccnc1N1C[C@@H](O)[C@@H](CNC(=O)C#CC2CC2)C1 1112719783 DDQONPDYTRDEFW-GXTWGEPZSA-N 311.345 -0.325 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)[C@H](C)Nc1nccc(OC)n1 1112973077 FHYQEPNTBDOJCY-QWRGUYRKSA-N 319.365 -0.070 30 20 DBED C[C@H](Nc1cncc(C#N)n1)[C@@H](C)NC(=O)Cn1cnnc1O 1112980928 JRRPKKQPXLYEHB-DTWKUNHWSA-N 316.325 -0.349 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1[C@@H]2CN(Cc3nc(N(C)C)no3)C[C@@H]21 1114064800 VNQSWMNJNUCVQX-SVDPJWKOSA-N 304.354 -0.158 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1[C@@H]2CN(C[C@@H]3CCOC3)C[C@@H]21 1114170103 MLZZGHNYJDUZCY-BCUIYNNISA-N 305.378 -0.791 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3cncnc3O)[C@H]2C1 1114445521 SDZFSXQRANWSJD-PJXYFTJBSA-N 317.349 -0.856 30 20 DBED CC(=O)NCC(=O)NC[C@H]1[C@@H]2CN(c3ccc(C#N)nn3)C[C@H]12 1114503497 OHEOCURLHSPHAB-XYYAHUGASA-N 314.349 -0.717 30 20 DBED C#CCCN1C[C@@H]2C(NC(=O)CCc3nnc(O)nc3O)[C@H]2C1 1114513759 ZINGHJKUTVVDKT-UWVGGRQHSA-N 317.349 -0.715 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)CCCN(C)C)[C@H]2C1 1114750546 JVNULFCSVZQFPM-STQMWFEESA-N 306.410 -0.876 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)CCc3cnn[nH]3)[C@@H]2C1 1114858738 HKTWVCNPFAFSMW-VXGBXAGGSA-N 318.381 -0.914 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3c(C)n[nH]c3C)[C@H]2C1 1114978351 SRCUSEDNSWAYGN-JYAVWHMHSA-N 317.393 -0.011 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)NCc1ccn(C)c1 1117349065 YGIPUPBOMQFWKD-UHFFFAOYSA-N 313.379 -0.642 30 20 DBED CC1(C#N)CCN(C(=O)C(=O)NCc2nnnn2C2CC2)CC1 1117518031 HSVQDIDNYSHZHG-UHFFFAOYSA-N 317.353 -0.224 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1C[C@@H](C)OC[C@@H]1C 1117586234 DEYDLKTXMBCBLQ-WDEREUQCSA-N 318.395 -0.661 30 20 DBED CS(=O)(=O)NCCC(=O)NC1CC2(CC(NCC#N)C2)C1 1121189596 VBUDZMNABKFIRL-UHFFFAOYSA-N 314.411 -0.534 30 20 DBED N#Cc1nc(=N[C@H](CO)CNC(=O)C[C@H]2CCCCO2)cc[nH]1 1121289241 XNPRMKUUYNOYLZ-NWDGAFQWSA-N 319.365 -0.382 30 20 DBED C[C@](O)(CC(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1)C1CC1 1121339702 MLTJGDJFNJKHFG-ABAIWWIYSA-N 319.365 -0.790 30 20 DBED Cc1c[nH]nc1C(=O)NC[C@@H](CO)N=c1cc[nH]cc1C#N 1121528184 IUFRTXORNXSKDN-NSHDSACASA-N 300.322 -0.391 30 20 DBED N#Cc1c[nH]ccc1=N[C@H](CO)CNC(=O)CN1CCCC1 1121580937 LZMFIGDOGJHRQN-ZDUSSCGKSA-N 303.366 -0.640 30 20 DBED N#Cc1nccnc1N[C@H](CO)CNC(=O)Cc1ccc[nH]1 1121622956 JRXDGQXQQGGPRB-NSHDSACASA-N 300.322 -0.192 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)COCC1CC1 1124106987 WWSFHKDJTUGTON-GFCCVEGCSA-N 319.365 -0.572 30 20 DBED CN(C[C@@H](O)CNc1ncccc1C#N)C(=O)c1ncn(C)n1 1124295498 DCOOKMDFKWHANE-NSHDSACASA-N 315.337 -0.373 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)c2cc(C)n(C)n2)C1=O 1124298051 OGFGUKFHNREGKR-GFCCVEGCSA-N 305.382 -0.165 30 20 DBED CN(C[C@H](O)CNc1cncc(C#N)n1)C(=O)c1cnn(C)n1 1124415377 UJAXCQDPZUFSJX-SNVBAGLBSA-N 316.325 -0.978 30 20 DBED C=CCOCC(=O)NCCNCC(=O)Nc1c(C)n[nH]c1C 1124773153 NNBHJEHXJOFCBK-UHFFFAOYSA-N 309.370 -0.127 30 20 DBED CC(=O)NCC(=O)N(C)C[C@@H](O)CN(C)c1ncccc1C#N 1124940416 RJNSEQJBFHSBFF-CYBMUJFWSA-N 319.365 -0.655 30 20 DBED C#CCNC(=O)CC(=O)NCCNCCCO[C@@H]1CCOC1 1125998068 JKXNTBAONUYLRV-CYBMUJFWSA-N 311.382 -0.973 30 20 DBED Cc1ccn2c(C(=O)NCCNCC(=O)NCC#N)cnc2c1 1128088126 OHMSSGHSAHAIGD-UHFFFAOYSA-N 314.349 -0.398 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)[C@H]2CC(=O)N(CC)C2)C1=O 1128649194 CHWVPCACCPFFRR-STQMWFEESA-N 322.409 -0.653 30 20 DBED C=CCC[C@@H](C)N1C[C@H](n2ccnn2)[C@H](NC(=O)CC(N)=O)C1 1128861074 RGTWDKJBYMCOFU-UPJWGTAASA-N 320.397 -0.150 30 20 DBED CC(C)[C@@H](C(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1)N(C)C 1129060155 NAYTXEQMKXBPCL-RDBSUJKOSA-N 319.413 -0.271 30 20 DBED C#CCNC(=O)CNCCNC(=O)C1(CC#C)CCOCC1 1129116927 NKMLWBSIFSBCKQ-UHFFFAOYSA-N 305.378 -0.738 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1ncc(C)cc1OC 1129657836 MGTGOXVJBAQEQW-UHFFFAOYSA-N 304.350 -0.533 30 20 DBED C[C@H]1CCN(C(=O)Cn2ncn(C)c2=O)C[C@@H]1CNCC#N 1132928665 SZGYNFDIUDEPBN-RYUDHWBXSA-N 306.370 -0.820 30 20 DBED C=CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)c1cc(=O)n(C)o1 1134219349 LQUNJNOIBOGKLQ-WDEREUQCSA-N 324.381 -0.233 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)c1cn(C)c(O)n1)NCC(=O)NCC#N 1135387814 RDPGFDGJCZVTPU-VHSXEESVSA-N 322.369 -0.748 30 20 DBED CCN(C)CCC(=O)N[C@@H](C)C[C@@H](C)NCC(=O)NCC#N 1135882277 JTGSZPFOQXTXOW-OLZOCXBDSA-N 311.430 -0.159 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1cc(CC)cnc1O 1146200425 LAIFTBMMCUOWHV-NSHDSACASA-N 318.377 -0.193 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)C(C)(C)c1cnc[nH]1 1147907985 NQTCUWLRJSGENW-NSHDSACASA-N 305.382 -0.469 30 20 DBED COCC[C@@H](C)C(=O)N1CC2(CCN(CC(=O)NCC#N)C2)C1 1148784170 QYRLUVJIPRSTMS-CYBMUJFWSA-N 322.409 -0.167 30 20 DBED C#Cc1ccccc1CC(=O)NCCN[C@H](C)C(=O)NC(N)=O 1149131485 ZMXHUTGVZIMAIU-LLVKDONJSA-N 316.361 -0.500 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)COCc1cccnc1 1149201931 GOVSEXORHYUULS-ZDUSSCGKSA-N 318.377 -0.558 30 20 DBED C=CCNC(=O)NC(=O)CNCCCNC(=O)c1ccnn1C 1155480990 ZIZWDXPLVPMZPU-UHFFFAOYSA-N 322.369 -0.859 30 20 DBED C=CCNC(=O)CNCC1(CCNC(=O)c2cnon2)CC1 1167494834 DQEZEKJNSQVIGO-UHFFFAOYSA-N 307.354 -0.139 30 20 DBED C=CCNC(=O)CNCCCNC(=O)COC1CCOCC1 1167523994 BDDGBQLVKNCWGV-UHFFFAOYSA-N 313.398 -0.420 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1cnn(CC)c1C 1169032545 MWPAWONHPFZMPT-UHFFFAOYSA-N 305.382 -0.330 30 20 DBED COCC#CCNCCCNC(=O)C(=O)Nc1cc(C)on1 1175998728 PZEFMYAKYZMSPJ-UHFFFAOYSA-N 308.338 -0.333 30 20 DBED CCCC[C@H](NC(N)=O)C(=O)NCCCNCC#CCOC 1177340617 IFGVATSPKLAEKH-ZDUSSCGKSA-N 312.414 -0.041 30 20 DBED N#CCNC[C@H]1C[C@H]2CC[C@H]1N(C(=O)Cn1cnnc1O)C2 1177706406 XTVUIIZDBJROPN-IJLUTSLNSA-N 304.354 -0.276 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)CN2CCC[C@@H]2C)[C@H]1C 1179534218 BDSABSYEXZWMAP-KKUMJFAQSA-N 320.437 -0.201 30 20 DBED CCN(CCC#N)C(=O)CN[C@@H]1CCN(C(=O)[C@H]2CCOC2)C1 1181469305 KYUYAEKEFJNWCP-UONOGXRCSA-N 322.409 -0.024 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2cncnc2)C1 1182156715 RWNIBBNEVQGQTB-DGCLKSJQSA-N 303.366 -0.029 30 20 DBED COCC#CCNC[C@@H]1CCN(C(=O)C2(C(N)=O)CC2)C[C@H]1C 1185041287 TTZFGDDZJWZCCK-KGLIPLIRSA-N 321.421 -0.024 30 20 DBED C#CCNC[C@H]1CN(C(=O)[C@@H]2COC(=O)N2)CC12CCOCC2 1186368726 UTEWRTPGNWTSOV-STQMWFEESA-N 321.377 -0.427 30 20 DBED C#CCNC[C@@H]1CN(C(=O)Cc2nc[nH]n2)CC12CCOCC2 1186536773 KZLYZEQWKOEBEV-CYBMUJFWSA-N 317.393 -0.175 30 20 DBED CN(CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 1189729445 YPHDVFQLOWZZFX-LLVKDONJSA-N 318.337 -0.772 30 20 DBED C=CCNC(=O)[C@H](C)N(C)[C@H]1CCN(C(=O)c2cnn[nH]2)C1 1191119292 ODLLZDFIEVGEKR-QWRGUYRKSA-N 306.370 -0.358 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CN(Cc2cn(C(C)(C)C)nn2)C[C@H]1O 1191872775 OXGLMMDYRXZNQF-CYZMBNFOSA-N 320.397 -0.146 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2nc(CC)no2)C[C@H]1O 1192878667 IOYIOPVSRAKQJG-VXGBXAGGSA-N 322.365 -0.667 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2cccnc2)C[C@H]1O 1192886142 MJFOTIPHPJUWQS-HUUCEWRRSA-N 303.362 -0.217 30 20 DBED N#CCNC(=O)CN1CCCN(C(=O)c2c[nH]c(C#N)c2)CC1 1195535210 LLBOWVWVGVGXDG-UHFFFAOYSA-N 314.349 -0.326 30 20 DBED CC(C)[C@@H](C(=O)N1CCCN(CC(=O)NCC#N)CC1)N(C)C 1196215391 FSKTWICRMQKBIV-HNNXBMFYSA-N 323.441 -0.253 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)[C@H](C)Cc2cnc[nH]2)C1 1196827158 UFERMSMNBNSLNK-BPLDGKMQSA-N 320.393 -0.601 30 20 DBED COc1cnc(C(=O)N2CCCO[C@H](CNCC#N)C2)nc1 1200937145 CYSRPMGCYGLVHZ-GFCCVEGCSA-N 305.338 -0.171 30 20 DBED N#CCNC1CCN(C(=O)CCCN2C(=O)CNC2=O)CC1 1203648026 BGXXZFMKQBEUSJ-UHFFFAOYSA-N 307.354 -0.577 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CCN(C(=O)c2ccn(C)n2)CC1 1203705481 XAWROYVFPPNBRW-GFCCVEGCSA-N 317.393 -0.248 30 20 DBED C=C(C)CNCC1CCN(C(=O)c2cn(CC(N)=O)nn2)CC1 1206951434 QTTMEPDGGNCGAW-UHFFFAOYSA-N 320.397 -0.219 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)CNC(=O)OC)C1 1207541405 FOZUQXVGJAQMAX-NSHDSACASA-N 312.370 -0.775 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2CCNC(=O)C2)C1 1207789837 OVDVDZQMDXLNJR-CHWSQXEVSA-N 322.409 -0.605 30 20 DBED COCC#CCN[C@@H]1CCCN(C(=O)[C@H]2CCC(=O)NC2)C1 1208475356 TUORPPKMWUYGLE-UONOGXRCSA-N 307.394 -0.257 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)C(CC)CC)[C@H](OC)C1 1211896666 KJIPWGBRZOTPHF-ZIAGYGMSSA-N 309.410 -0.013 30 20 DBED COCC#CCN1C[C@@H](NC(=O)Cc2ccon2)[C@H](OC)C1 1212055600 QAPPBPCRKFYRMA-ZIAGYGMSSA-N 307.350 -0.318 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H](CC)OCC)C[C@H]1C 1214255224 QUWSKQCMENHDNT-MGPQQGTHSA-N 309.410 -0.013 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)c2cnn(C)c2N)C[C@H]1C 1214478014 NJPJRNRWYGOYIR-DGCLKSJQSA-N 305.382 -0.298 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(Cc2ccc(OC)nc2)C[C@@H]1O 1219361752 CRHNWDBYJBQNTB-KGLIPLIRSA-N 321.377 -0.046 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)c2ncccc2O)C1 1219497205 HZSJLCHLNSUECQ-YPMHNXCESA-N 305.334 -0.788 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(Cc2conc2C)C[C@@H]1O 1219527086 IRLYNWLPEYHAHC-VNHYZAJKSA-N 309.366 -0.029 30 20 DBED COc1cncc(CN2C[C@H](O)[C@H](NC(=O)C#CC(C)C)C2)n1 1219587587 MCBUKYIEDGMTLE-KGLIPLIRSA-N 318.377 -0.194 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)COCc2ccncc2)C1 1220615571 IEBJWLPIPKYQDK-CABCVRRESA-N 303.362 -0.217 30 20 DBED Cn1[nH]c(CN2CCC(CNC(=O)C#CC3CC3)CC2)nc1=O 1223130967 WSUKQMXOVIMADT-UHFFFAOYSA-N 317.393 -0.150 30 20 DBED C#CCCN1CCS(=O)(=O)[C@@H](CCNC(=O)C(F)F)C1 1230406791 UIUVODGNFOMBRT-JTQLQIEISA-N 308.350 -0.120 30 20 DBED C#CCN1CCS(=O)(=O)[C@@H](CCNC(=O)CCN(C)C)C1 1230493936 CZYLPYFEOZZAIJ-ZDUSSCGKSA-N 315.439 -0.823 30 20 DBED C=CCCCn1nnnc1N1CC[C@@H](S(=O)(=O)NC)C1 1262419007 VZKYNIDAGCOAEJ-SNVBAGLBSA-N 300.388 -0.233 30 20 DBED Cn1ccc(C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)c1 1263291172 OHSAJNLIGNYOKY-NSHDSACASA-N 309.347 -0.395 30 20 DBED O=C(C#CC1CC1)N[C@H]1CCCN([C@H]2CCC(=O)NC2=O)C1 1266217909 IWLAEPNBSKHBEO-STQMWFEESA-N 303.362 -0.214 30 20 DBED N#CCNC(=O)Cn1c(C(F)(F)F)ccc(C(N)=O)c1=O 1318227187 HLWRXRZPCCXWCG-UHFFFAOYSA-N 302.212 -0.394 30 20 DBED Cc1nn(CCO)c2ncc(C(=O)OCC(=O)NCC#N)cc12 1318416403 CDSQULPORBCXCF-UHFFFAOYSA-N 317.305 -0.471 30 20 DBED CS[C@H](CO)[C@@H](C)NC(=O)C(=O)Nc1cnn(CC#N)c1 1319347186 JGKJDZBKCDYENS-PSASIEDQSA-N 311.367 -0.426 30 20 DBED N#CCCn1ccc(NC(=O)C(=O)N2CCSC[C@@H]2CO)n1 1320594543 CWDYVKHOZNMKDU-JTQLQIEISA-N 323.378 -0.328 30 20 DBED C=CCN1CCC(NC(=O)C(=O)N2CCN(C)C(=O)[C@@H]2C)CC1 1322607300 MYAUHVWPDOCSOY-LBPRGKRZSA-N 322.409 -0.558 30 20 DBED CN1CCN(CCNC(=O)C(=O)NCCCC#N)CC1(C)C 1323155334 HKNLBVJUWHZSRE-UHFFFAOYSA-N 309.414 -0.451 30 20 DBED CN(C(=O)C(=O)Nc1cnn(CC#N)c1)[C@H]1CC(C)(C)OC1=O 1324527733 JJBDHRZRCFZCIT-JTQLQIEISA-N 319.321 -0.102 30 20 DBED O=C(NCC#CCNC(=O)[C@]1(F)CCOC1)[C@]1(F)CCOC1 1326836871 UHYSOJJQHXLUJP-KBPBESRZSA-N 316.304 -0.521 30 20 DBED C=CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)[C@H](C)COC 1329911296 KLDDCXXPIYTTLE-VXGBXAGGSA-N 304.412 -0.187 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CC[C@H](N)[C@@H](C)C2)nn1 1331950675 QKZGQOXJKKZJHX-JQWIXIFHSA-N 306.370 -0.724 30 20 DBED C=C[C@H](CO)NC(=O)[C@@H]1CS(=O)(=O)C[C@H]1C(F)(F)F 1332469566 KGOHNBZZYJNDAK-BWZBUEFSSA-N 301.286 -0.127 30 20 DBED C=CCNC(=O)CNC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 1337328979 XXRCZLXURJKJJO-UHFFFAOYSA-N 302.290 -0.752 30 20 DBED C=CCNC(=O)c1ccc(NC(=O)C(=O)NOCC(N)=O)cc1 1338724185 OOMWEFQJTIDRML-UHFFFAOYSA-N 320.305 -0.926 30 20 DBED C=CCn1c(C(N)=O)nnc1N1CCN(c2cnn(C)c2)CC1 1340376307 VUPVBPAPAZQWEW-UHFFFAOYSA-N 316.369 -0.377 30 20 DBED C=CCNC(=O)Cn1nnnc1N1CCC[C@H](C(C)(C)O)C1 1343873882 BHRCTSPMRKTXCA-NSHDSACASA-N 308.386 -0.037 30 20 DBED CCC[C@](C)(O)CNC(=O)CCn1cc(C#N)c(O)nc1=O 1362339773 ROUBRVHXXPSUKQ-AWEZNQCLSA-N 308.338 -0.122 30 20 DBED C[C@H]1CN(C(=O)Cn2cc(C#N)c(O)nc2=O)C[C@@H](C2CC2)O1 1362603010 DEFHNXQSAIIWFM-CABZTGNLSA-N 318.333 -0.154 30 20 DBED Cc1nnc(CC(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)o1 1362771824 SQRKTJSGKIPLKH-UHFFFAOYSA-N 317.309 -0.009 30 20 DBED Cc1cc(C[C@@H](C)NS(=O)(=O)N2CCO[C@@H](C#N)C2)n[nH]1 1364870362 JTNLBGPQYUKCKM-PWSUYJOCSA-N 313.383 -0.292 30 20 DBED CO[C@@H]1COCC[C@H]1CNS(=O)(=O)N(C)C[C@H](C)C#N 1364876352 XWCYHZRQQSOZEF-GRYCIOLGSA-N 305.400 -0.036 30 20 DBED C[C@H]1CN(Cc2cc(O)n3ncc(C#N)c3n2)C[C@H](CO)O1 1365295336 LERJXDNULNFNCY-JOYOIKCWSA-N 303.322 -0.112 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCN1CCN(C(=O)c2cc[nH]n2)CC1 1374447178 OOTFNQKVKYYVKY-LBPRGKRZSA-N 318.381 -0.214 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)CCc2ccncn2)C1 1396431897 ZEJLZGWCDLYRME-UHTWSYAYSA-N 317.349 -0.743 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CCN(C(=O)c2c[nH]c(C(N)=O)c2)C1 1408386754 RVCOMJDVHIELOI-VHSXEESVSA-N 317.349 -0.148 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCN(C)C(=O)[C@H](C)NS(C)(=O)=O 1410009824 STGVSDIQKBIAGA-UWVGGRQHSA-N 318.399 -0.999 30 20 DBED C[C@H](CNC(=O)[C@H](C)C#N)NC(=O)c1cccc(C(N)=O)n1 1410235291 FKCVRIUSHGTIBK-RKDXNWHRSA-N 303.322 -0.425 30 20 DBED CCn1ccc(C(=O)NCCn2cc(C#N)c(O)nc2=O)n1 1418536642 PUBJORBETORKEM-UHFFFAOYSA-N 302.294 -0.533 30 20 DBED COC1([C@H](C)Nc2c(C#N)c(=O)n(C)c(=O)n2C)CCOCC1 1421162401 WIEGGDCYSFDANH-JTQLQIEISA-N 322.365 -0.048 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1cc(C2CC2)no1 1431543427 UKNFKWBEDLIQNK-WPRPVWTQSA-N 306.322 -0.081 30 20 DBED CC[C@H]1COCCN1C(=O)CCn1cc(C#N)c(O)nc1=O 1444156106 MPYMCAPJYLCHGP-NSHDSACASA-N 306.322 -0.152 30 20 DBED Cc1cc(=O)c(C(=O)N2CC(NC(=O)[C@@H](C)C#N)C2)cn1C 1456388241 BVQLUKDMJHDQSS-VIFPVBQESA-N 302.334 -0.206 30 20 DBED CCC(=O)NCC(=O)N1CC[C@@H]1CNC(=O)c1cc(C#N)c[nH]1 1458682703 YQEVJSXGEROUPN-LLVKDONJSA-N 317.349 -0.257 30 20 DBED COc1ncccc1CN1CC(O)(CNC(=O)[C@@H](C)C#N)C1 1484264018 HZSVMWGJNGKYKJ-NSHDSACASA-N 304.350 -0.087 30 20 DBED C[C@H](Nc1cnc(-c2nn[nH]n2)c(C#N)n1)[C@H]1CN(C)CCO1 1575440190 WBBSINFYNWJEPT-WCBMZHEXSA-N 315.341 -0.341 30 20 DBED CC[C@@H]1NCC[C@H]1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1577304053 IQUYFQAGRTUDJU-OPDFLTKYSA-N 311.407 -0.229 30 20 DBED CN1CCO[C@H](CSc2cnc(C#N)c(-c3nn[nH]n3)n2)C1 1579377939 BHVOBLVLUYYGCR-QMMMGPOBSA-N 318.366 -0.049 30 20 DBED Cc1c(-c2nn[nH]n2)c(=O)n(Cc2ccc(C#N)cc2)c(=O)n1C 1580522436 PSZBEZKRAVKVGT-UHFFFAOYSA-N 323.316 -0.045 30 20 DBED N#Cc1nc(N2CCC[C@H](OCCO)C2)cnc1-c1nn[nH]n1 1581879358 HMYAKRXIQDENHP-VIFPVBQESA-N 316.325 -0.494 30 20 DBED C=C(C)CN(C)C(=O)C(=O)N1CC[C@@H](n2cc(C(=O)O)nn2)C1 1588561582 NWPQOCQEFRXGRC-SNVBAGLBSA-N 321.337 -0.216 30 20 DBED C=CCOC[C@H](NC(=O)C(=O)c1c(C)nn(C)c1C)C(=O)O 1588851168 XFJNVUYSEXXBMK-JTQLQIEISA-N 309.322 -0.008 30 20 DBED CCOC[C@H](C(=O)O)N(C)S(=O)(=O)N(C)C[C@@H](C)C#N 1596885020 WHCSOAWCEISOBV-VHSXEESVSA-N 307.372 -0.256 30 20 DBED CON(C(=O)Cn1cc(C#N)c(O)nc1=O)[C@@H](C)CC(=O)O 1599313767 RJXOXUAXFWZAOG-ZETCQYMHSA-N 310.266 -0.926 30 20 DBED CS(=O)(=O)c1ccc(C(=O)N(CC#N)CC(=O)O)c(N)c1 1599766993 HLLQWKFXBQYMGG-UHFFFAOYSA-N 311.319 -0.277 30 20 DBED N#Cc1cn(CCC(=O)N2CCC[C@H]2C(=O)O)c(=O)nc1O 1601128957 FNBHCQGGIRHSOB-VIFPVBQESA-N 306.278 -0.714 30 20 DBED N#Cc1ncccc1S(=O)(=O)NC[C@]1(C(=O)O)CCOC1 1601135406 UQGXPVRRCKOBOK-GFCCVEGCSA-N 311.319 -0.277 30 20 DBED C=CCCC[C@@H](NS(=O)(=O)N1CCN(C)CC1)C(=O)O 1602872294 HNDCLQGJVIDPNL-LLVKDONJSA-N 305.400 -0.122 30 20 DBED CCCn1c(C)nnc1Cn1c(N)nc(-c2nn[nH]n2)c1C#N 1604252359 PFIDLROHWSYZEW-UHFFFAOYSA-N 313.329 -0.125 30 20 DBED N#Cc1ncn(CC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)n1 1605625951 DKEBVETYERCXJV-NSHDSACASA-N 315.289 -0.333 30 20 DBED CN(C)S(=O)(=O)NCCNc1ccc(C(=O)O)nc1C#N 1606039374 WUKVWCHSWXYCEW-UHFFFAOYSA-N 313.339 -0.541 30 20 DBED N#CC1(C(=O)O)CCN(C(=O)Cc2c(O)ncnc2O)CC1 1608171487 NKHCKVJOTWDEGS-UHFFFAOYSA-N 306.278 -0.353 30 20 DBED N#Cc1ncccc1S(=O)(=O)N1CCC[C@H](O)[C@@H]1C(=O)O 1610634064 IZAHMOGOGLTDAV-GXSJLCMTSA-N 311.319 -0.448 30 20 DBED CC(C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1nnn(C)n1 1750652106 YOWZULXMLMAFAO-JTQLQIEISA-N 317.357 -0.298 30 20 DBED C=CCCOCC(=O)N1[C@H]2CC[C@H]1CN(CC(=O)NCC#N)C2 1752567746 OCWYMJVKYOSYIQ-KBPBESRZSA-N 320.393 -0.106 30 20 DBED C[C@H](CNC(=O)c1cn(C(C)(C)C)nn1)NCC(=O)NCC#N 1752877033 LOVBWLZQPJYCML-SNVBAGLBSA-N 321.385 -0.619 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](C)NCc1nnn(C)n1 1752903625 BBFYJYZGXVJZDQ-MDZLAQPJSA-N 308.386 -0.214 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CCCN1Cc1nnn(C)n1 1753103143 PQOQMIBHSJTUDE-LBPRGKRZSA-N 306.370 -0.669 30 20 DBED N#CCNC(=O)CN1CC[C@@H](CNC(=O)c2csnn2)C1 1753130553 FDDMDRGLLLPOSZ-VIFPVBQESA-N 308.367 -0.770 30 20 DBED C#CCNC(=O)CN1CC[C@@H](CNC(=O)CCc2cn[nH]c2)C1 1753136624 YKLRAGLUTADVTR-AWEZNQCLSA-N 317.393 -0.470 30 20 DBED COCC#CCN1CC(CNC(=O)[C@H]2CCCc3nn[nH]c32)C1 1753410592 JYEUAPJCPCWVCM-ZDUSSCGKSA-N 317.393 -0.078 30 20 DBED C=CCNC(=O)CNC[C@@](C)(NC(=O)[C@@H]1CCNC1=O)C1CC1 1753521656 QOTOUNOBQSJFGI-MLGOLLRUSA-N 322.409 -0.701 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)CS(=O)(=O)CCC)C1 1753658177 MZAHJHPHBNYIIE-LBPRGKRZSA-N 302.396 -0.739 30 20 DBED C#CCNC(=O)[C@H](C)NCC[C@@H](C)NC(=O)c1ncccn1 1754008151 ASXSZBBHXJZQEX-NEPJUHHUSA-N 303.366 -0.288 30 20 DBED C=C(C)CCNCCN(CC)C(=O)Cn1ccc(=O)n(C)c1=O 1754048143 FNIDGYUJOVSXIN-UHFFFAOYSA-N 322.409 -0.049 30 20 DBED C#CCNC(=O)[C@H](C)NCCCN(C)C(=O)[C@@H]1CCN(C)C1=O 1754390400 RBBXELMMDVECMM-STQMWFEESA-N 322.409 -0.959 30 20 DBED C=CCNC(=O)CN1CC(N(C)C(=O)[C@@H](CC)NC(C)=O)C1 1754582306 XSLQFDOPWROKGE-CYBMUJFWSA-N 310.398 -0.654 30 20 DBED C=CCNC(=O)CN1CC(N(C)C(=O)C(C)(C)NC(C)=O)C1 1754583684 HXCSNFRXJTXDMJ-UHFFFAOYSA-N 310.398 -0.654 30 20 DBED CC#CCN1CC[C@H](N2CCN(C(=O)[C@H](C)NC(C)=O)CC2)C1 1754661515 GNZMFDQRPPRICB-HOCLYGCPSA-N 320.437 -0.247 30 20 DBED COC[C@@H](C)C(=O)N1CC[C@@](C)(CNCC(=O)NCC#N)C1 1754689961 IOGORQCZVKBHEJ-DOMZBBRYSA-N 310.398 -0.263 30 20 DBED C=C(C)CCN1CC[C@@](O)(CNC(=O)c2ccc(=O)n(C)n2)C1 1754759880 LWZNKYDVUDZZEI-MRXNPFEDSA-N 320.393 -0.087 30 20 DBED C=CCCN1CC(O)(CNC(=O)c2nc3ncccn3n2)C1 1754777325 OHXVCCOHNIHSBD-UHFFFAOYSA-N 302.338 -0.523 30 20 DBED C#CCNC(=O)CN(C)CCCN(C)C(=O)c1cnc(C)n1C 1755042719 TZVKPPKFVBAFBN-UHFFFAOYSA-N 319.409 -0.128 30 20 DBED COCC#CCN[C@@]1(CO)CCCN(C(=O)c2cccnn2)C1 1755090083 FUSFGSJSZBVLBI-INIZCTEOSA-N 318.377 -0.317 30 20 DBED COCC#CCNCC1(NC(=O)[C@H]2CCOC2)CCOCC1 1755093520 RKSBQOXUWDUBJL-AWEZNQCLSA-N 310.394 -0.072 30 20 DBED C#CCCN1CCC(CO)(NC(=O)Cn2ccccc2=O)CC1 1755180545 BPEKFWLVLZFEDB-UHFFFAOYSA-N 317.389 -0.185 30 20 DBED C=CCNC(=O)CN(C)[C@@H](C)CNC(=O)[C@@]1(CC)CCNC1=O 1755302458 BSNCXASBOGBHTP-LRDDRELGSA-N 324.425 -0.359 30 20 DBED C#CCCN1C[C@H]2[C@H](CNC(=O)CN3CC(=O)N(C)C3=O)[C@H]2C1 1755434168 OSVBOXBBHNPNFJ-XYYAHUGASA-N 318.377 -0.802 30 20 DBED C#CCNC[C@@H]1CC2(CCN(C(=O)CNC(C)=O)CC2)CO1 1755465146 YDGWQDZEYPBPFW-AWEZNQCLSA-N 307.394 -0.257 30 20 DBED CC(C)NC(=O)CN(C)CC(=O)N1CCC(N(C)CC#N)CC1 1755531805 ZULPTAZSPXNTTO-UHFFFAOYSA-N 323.441 -0.111 30 20 DBED C#Cc1ccc(C(=O)NC[C@H](CO)NCc2nc(C)no2)cn1 1755645555 SSUDWIIMZLUZRQ-CYBMUJFWSA-N 315.333 -0.365 30 20 DBED Cn1cnc(C(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)c1 1842528630 XMYJIAUXOORATD-UHFFFAOYSA-N 316.317 -0.675 30 20 DBED CS(=O)(=O)CC(=O)N1CCCC12CN(C(=O)CCC#N)C2 1842778351 MFGJNZMNUDURKT-UHFFFAOYSA-N 313.379 -0.462 30 20 DBED CC(C)(C#N)C(=O)N1CC2(CCCN2C(=O)[C@@H]2CNC(=O)C2)C1 1845995703 NHLCVPXPQQJKSK-NSHDSACASA-N 318.377 -0.124 30 20 DBED Cn1cc(S(=O)(=O)N2CCC[C@H](C#N)C2)c(=O)n(C)c1=O 79827614 HSNYDXXBDGWQLT-SECBINFHSA-N 312.351 -0.992 30 20 DBED COC(=O)[C@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(C#N)nc1 122461971 KQGVFBJBDBAICG-MWLCHTKSSA-N 311.319 -0.750 30 20 DBED CCN(C[C@H](C)C#N)C(=O)CN1CCN(C(=O)[C@@H](C)O)CC1 152919821 LYCZPNVDMIUMMT-CHWSQXEVSA-N 310.398 -0.480 30 20 DBED N#Cc1ccccc1OCC(=O)NCCCN1C(=O)CNC1=O 264472004 NSOYVNXFSBXXNG-UHFFFAOYSA-N 316.317 -0.005 30 20 DBED C=CCNC(=O)CNC(=O)CNC(=O)c1ccccc1OC 274742271 VYCQOTJZYABJPJ-UHFFFAOYSA-N 305.334 -0.157 30 20 DBED N#Cc1ccc(O[C@H]2CCN(CCN3C(=O)CNC3=O)C2)nc1 292054218 BLVLUFJBNFUUBR-LBPRGKRZSA-N 315.333 -0.042 30 20 DBED C/N=C(/O)CN1CCN(C(=O)[C@H](c2cncn2C)N(C)C)CC1 328804894 HNABBFDQDSGPSZ-AWEZNQCLSA-N 322.413 -0.247 30 20 DBED CS(=O)(=O)N1CCN(C/C(O)=N/C[C@H](O)C2CC2)CC1 329957296 PIOKBUXIJPMODL-NSHDSACASA-N 305.400 -0.709 30 20 DBED CCN(CCC#N)S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)NC 336883060 GFCNPAGBBKXHRN-GHMZBOCLSA-N 302.400 -0.029 30 20 DBED C=CC[C@H](CC)NC(=O)N1CCN(CCS(N)(=O)=O)CC1 336945897 LYPXHEBUCNCVOQ-LBPRGKRZSA-N 318.443 -0.043 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)NCC1(N2CCOCC2)CC1 337168472 DDVPXDKBVYMJRM-LBPRGKRZSA-N 316.427 -0.223 30 20 DBED C=CCOC[C@H](NC(=O)[C@@H](OC)c1cnn(C)c1)C(=O)OC 337185406 SQSCSTPJOOSUFW-RYUDHWBXSA-N 311.338 -0.032 30 20 DBED N#Cc1cccc(-c2cc(C(=O)N[C@H](CO)C(N)=O)on2)c1 341740524 DFZMQPASKGTIPG-LLVKDONJSA-N 300.274 -0.211 30 20 DBED C[C@@H](CNC(=O)CNc1ccc(C#N)cn1)N1CCN(C)CC1 345432526 ZVLSTAQWBMNGFO-ZDUSSCGKSA-N 316.409 0.117 30 20 DBED COc1ncnc(N(C)C)c1NC(=O)NCC(=O)NCC#N 350116849 MYUAVRXZHMJSMX-UHFFFAOYSA-N 307.314 -0.688 30 20 DBED C[C@H](Nc1c(C#N)c(=O)n(C)c(=O)n1C)c1nnc2n1CCC2 351826201 FKEWAKHSSWRVQC-QMMMGPOBSA-N 315.337 -0.334 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)N[C@@]2(CO)CCOC2)cc1 353829183 SPEIUZUNEHJYSH-OAHLLOKOSA-N 303.318 -0.444 30 20 DBED C=C[C@@H](CO)NC(=O)C(=O)Nc1ccc(-n2cccn2)nc1 354565340 NAZHBQHURZPULT-JTQLQIEISA-N 301.306 -0.131 30 20 DBED C[C@H]1CN(C(=O)NCC(=O)NCC#N)CCN1CC(C)(C)O 358282272 WIIYIIOLOIXUOH-NSHDSACASA-N 311.386 -0.887 30 20 DBED C=CCNc1nnc(S(=O)(=O)Cc2nnnn2C)s1 358705760 JADDRXAFVXPPJQ-UHFFFAOYSA-N 301.357 -0.367 30 20 DBED N#Cc1ccc(NC(=O)C(=O)NCCn2ncnn2)c(F)c1 359379204 KEQAUEKMPOQNDV-UHFFFAOYSA-N 303.257 -0.561 30 20 DBED C=CCOC[C@H](NS(=O)(=O)N(C)CCC#N)C(=O)OC 360597573 LSKADQJOMMPISK-JTQLQIEISA-N 305.356 -0.590 30 20 DBED COC(=O)[C@H]1CN(C)CCN(S(=O)(=O)CC2(C#N)CC2)C1 416581893 JUKVWCRTDXIZCT-NSHDSACASA-N 315.395 -0.343 30 20 DBED N#CCCn1ccc(NC(=O)C(=O)N2CCO[C@H]3CCC[C@H]32)n1 430449904 KRMZRNWAIWYYJJ-NEPJUHHUSA-N 317.349 0.515 30 20 DBED COC1(CO)CCN(C(=O)CNc2ccc(C#N)cn2)CC1 446988343 FXWVVYDZRFRQLY-UHFFFAOYSA-N 304.350 0.365 30 20 DBED C#C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1)C(C)C 490627293 BLSHIECEVDNUOX-CMPLNLGQSA-N 312.395 -0.139 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@@](C)(O)C(C)C)CC1 491014970 UMTMQQBRAFYUMP-INIZCTEOSA-N 309.410 -0.323 30 20 DBED CN(CC(=O)NCc1cccs1)C(=O)Cn1cnc(C#N)n1 495001463 XRFABBILTIIHLP-UHFFFAOYSA-N 318.362 -0.014 30 20 DBED CCOC[C@H]1CN(c2c(C#N)c(=O)n(C)c(=O)n2C)CCO1 528188643 YMQPKWOBBBRDQT-SNVBAGLBSA-N 308.338 -0.803 30 20 DBED CC[C@]1(C)NC(=O)N(CC(=O)NC2(C#N)CCN(C)CC2)C1=O 536788186 AYOQQVPNTHSJJE-AWEZNQCLSA-N 321.381 -0.189 30 20 DBED CC(C)(C#N)CCS(=O)(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1 569411470 JRXZDDHQRCYTOO-UWVGGRQHSA-N 303.384 -0.121 30 20 DBED COC(=O)[C@@H]1CN(S(=O)(=O)N2CCO[C@@H](C#N)C2)C[C@H]1C 592057604 FRPRXPMEKSQWAR-OUAUKWLOSA-N 317.367 -0.804 30 20 DBED COC[C@H]1C[C@@H](O)CN1C(=O)C(=O)Nc1cc(C)c(C#N)cn1 594309726 HWAHOGATWHWZLG-VXGBXAGGSA-N 318.333 -0.192 30 20 DBED COCCCS(=O)(=O)NCC(=O)N(C1CC1)[C@H](C)C#N 598130208 CNJBJIOHLDTWMT-SNVBAGLBSA-N 303.384 -0.155 30 20 DBED CS(=O)(=O)N1CC(CNC(=O)N2CC[C@@](F)(C#N)C2)C1 615551473 WCBRQQMKLDKZLU-LLVKDONJSA-N 304.347 -0.475 30 20 DBED C=CCN(CC=C)C(=O)Cn1cc(CCN2CCNCC2)nn1 640791742 KDQZCIJHKXOULO-UHFFFAOYSA-N 318.425 -0.074 30 20 DBED CC#CCN(C)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 655297958 GNMQNVXEGDJXMD-UHFFFAOYSA-N 316.427 -0.772 30 20 DBED CC#CC[C@@H](CO)NC(=O)C1CCN(S(C)(=O)=O)CC1 717761229 OVJGUSOUDXLKAY-LBPRGKRZSA-N 302.396 -0.452 30 20 DBED CS(=O)(=O)[C@H]1CCCCC1=NNC(=S)NCC(N)=O 741463525 DCMCNNLOIDKYCK-QMMMGPOBSA-N 306.413 -0.721 30 20 DBED N#Cc1ccc(NCCNC(=O)N2CCO[C@H](C(N)=O)C2)nc1 747979443 GRUZVBUUHRKUTM-NSHDSACASA-N 318.337 -0.739 30 20 DBED C#CCNS(=O)(=O)N1CCN(Cc2ccc(CO)cc2)CC1 778950959 MYROYFCTZFWWHE-UHFFFAOYSA-N 323.418 -0.236 30 20 DBED C#CCOCCNS(=O)(=O)c1ccc2c(c1)C(=O)NCC2 784453467 GBMMDGQLQJMIQQ-UHFFFAOYSA-N 308.359 -0.099 30 20 DBED N#CCNC(=O)CNS(=O)(=O)Cc1ccc(Cl)nc1 796219200 YCAIMLNDSFDDQC-UHFFFAOYSA-N 302.743 -0.206 30 20 DBED C#CCC[C@@H](O)CNS(=O)(=O)c1csnc1C(=O)OC 798487541 TXVVWLHQCACJAI-MRVPVSSYSA-N 318.376 -0.018 30 20 DBED N#C[C@H]1CN(S(=O)(=O)N2CCCC3(C2)OCCO3)CCO1 800083206 FGNDNWXFKGNSAX-NSHDSACASA-N 317.367 -0.706 30 20 DBED N#CCNC(=O)COC(=O)[C@]1(c2ccccc2)CNC(=O)C1 811237640 WQWCMFSZPYHYHM-HNNXBMFYSA-N 301.302 -0.373 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)/C=C(/C)C2CC2)CC1 831556117 HZPDBWBMNVQFAM-QXMHVHEDSA-N 311.407 -0.046 30 20 DBED C=CCC[C@H](NC(=O)CCn1cc[nH]c(=O)c1=O)C(=O)OCC 837026782 UZPMNGIWYFUXSR-NSHDSACASA-N 323.349 -0.059 30 20 DBED Cn1cc(C=NNc2cnnc(O)c2Cl)c(=O)n(C)c1=O 839410616 IYWUCVFTGUPLJG-UHFFFAOYSA-N 310.701 -0.321 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@H](CC(=O)O)C1CC1 844789917 PNYSIOZAFHJUTH-LLVKDONJSA-N 319.383 -0.064 30 20 DBED N#CCCNC(=O)COC(=O)C1(n2cnnn2)CCCCC1 845304663 CNRIQQCPDWVZEX-UHFFFAOYSA-N 306.326 -0.094 30 20 DBED C#CC[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CC(C)C 854542365 PZBYMSAGTAXPHC-OCCSQVGLSA-N 320.393 -0.017 30 20 DBED C=CCC1(O)CCN(C(=O)NCCS(=O)(=O)N(C)C)CC1 884366637 DNGBBKHUYZRVEP-UHFFFAOYSA-N 319.427 -0.010 30 20 DBED C#CCNC(=O)COC(=O)CN(C)S(=O)(=O)c1ccccc1 914824004 VBIYGMSNGNFCJY-UHFFFAOYSA-N 324.358 -0.400 30 20 DBED CS(=O)(=O)NCCC(=O)NCCNc1ccc(C#N)cn1 920445784 YOGCTZHGXYHWGT-UHFFFAOYSA-N 311.367 -0.579 30 20 DBED C#CCN1CCC[C@H](NC(=O)c2cnn(C)c2-n2cnnc2)C1 923563584 HIKIYLNBJNXKKN-LBPRGKRZSA-N 313.365 -0.172 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](N(C)C(=O)C2CS(=O)(=O)C2)C1 939394984 BIOGYCDGOLUENN-ONGXEEELSA-N 313.379 -0.750 30 20 DBED N#Cc1cc(C(=O)N2CC[C@@H](NC(=O)Cn3nccn3)C2)c[nH]1 940666103 JMZBIQUHQIWYEE-LLVKDONJSA-N 313.321 -0.491 30 20 DBED CN1CC[C@@H](CC(=O)N[C@@H]2CCN(C(=O)C#CC3CC3)C2)C1=O 941055809 AFSIFRVRIPPVTJ-UONOGXRCSA-N 317.389 -0.015 30 20 DBED C=CCCN1CC[C@H](NC(=O)Cn2ncn(C)c2=O)[C@@H](C)C1 942200795 PGECIYQPBFRVKZ-STQMWFEESA-N 307.398 -0.016 30 20 DBED C=CCCN1CC[C@@H](NC(=O)CN2CC(=O)NC2=O)[C@@H](C)C1 943674006 GLPSJSFWGCKCDS-NWDGAFQWSA-N 308.382 -0.059 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)[C@H](C)C1 944135100 IMANMAVRLXHHLZ-CHWSQXEVSA-N 320.393 -0.270 30 20 DBED Cn1oc(C(=O)N2CCOC3(CCN(CC#N)CC3)C2)cc1=O 949081391 SUSJGCLLQPPNLO-UHFFFAOYSA-N 320.349 -0.191 30 20 DBED C=CCCn1cc(C(=O)N(CC)C2CN(CC(N)=O)C2)nn1 952429687 VDHCGTZZXFKCTF-UHFFFAOYSA-N 306.370 -0.514 30 20 DBED CN1CCO[C@H](C(=O)N[C@]2(C)CCN(C(=O)C#CC3CC3)C2)C1 956793156 YCHJMCJHQOBRPK-WMLDXEAASA-N 319.405 -0.162 30 20 DBED Cc1nc2cc(C(=O)NC[C@H]3CN(CC#N)C[C@H]3O)cnc2[nH]1 958122367 UYCVUVPNKGPRFN-WCQYABFASA-N 314.349 -0.188 30 20 DBED C=CCN1C[C@@H](O)[C@@H](CNC(=O)c2cn3c(n2)COCC3)C1 958179216 JZNRJQSNGYPQQA-WCQYABFASA-N 306.366 -0.378 30 20 DBED CC#CCN1C[C@H](O)[C@H](CNC(=O)c2cnn3c2OCCC3)C1 958220280 WFMFQDRPEZJEIX-OCCSQVGLSA-N 318.377 -0.289 30 20 DBED Cc1c(C(=O)NC[C@@H]2CN(CC#N)C[C@H]2O)nnn1C(C)C 958549473 XIWRCCJFUFOHMT-VXGBXAGGSA-N 306.370 -0.287 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2ccc(C(=O)NC)nc2)C1 958597487 DTHLETICXVLWKS-OCCSQVGLSA-N 316.361 -0.903 30 20 DBED Cc1cncn1CC(=O)N(C)[C@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1O 958894342 WWVZQNDJFXBDRF-DRZSPHRISA-N 319.365 -0.619 30 20 DBED Cc1nnsc1C(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 961485366 AAIDQCLNURIYFU-MNOVXSKESA-N 320.374 -0.439 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1[C@@H]2CN(Cc3cn(C)nn3)C[C@@H]12 961815303 NRASCSRQUMYBTN-SYQHCUMBSA-N 317.393 -0.047 30 20 DBED C=C(C)CCN1C[C@@H]2C(NC(=O)CN3CCC(=O)NC3=O)[C@H]2C1 962228607 NIZUFFHCOVEABA-RYUDHWBXSA-N 320.393 -0.059 30 20 DBED CC[C@@H](C(=O)N1CCOC2(CN(C(=O)[C@@H](C)C#N)C2)C1)N(C)C 965426029 ZYLROGFZFGUEPC-STQMWFEESA-N 322.409 -0.074 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC2(CN(C(=O)c3cc[nH]n3)C2)C1 965468410 FCXCETWXIUSYQE-JTQLQIEISA-N 303.322 -0.377 30 20 DBED C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 966167237 MMNFYBLRFSKQBU-VXGBXAGGSA-N 320.397 -0.220 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1NC(=O)c1cc(=O)n(C)o1 966395617 DXGWNQUGXJPTSA-PWSUYJOCSA-N 317.345 -0.032 30 20 DBED CCN(C(=O)[C@@H]1CC(=O)N(C)C1)C1CN(C(=O)[C@@H](C)C#N)C1 968047461 RBGNFEQCRHNYBA-WDEREUQCSA-N 306.366 -0.316 30 20 DBED COc1c(O)nc(O)nc1C(=O)N[C@H]1CN(CC#N)CC[C@@H]1C 968540279 SWMIPNUXRRHXQR-IUCAKERBSA-N 321.337 -0.140 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@]2(CN(CC(=O)NC3CC3)CCO2)C1 972297328 ICVXRKFWDKFTSG-WBMJQRKESA-N 320.393 -0.272 30 20 DBED C#Cc1cncc(C(=O)N[C@H]2C[C@@H](NC(=O)Cn3nccn3)C2)c1 974171767 FKJMWZZUVADDJK-OKILXGFUSA-N 324.344 -0.268 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H](CNC(=O)c2ncn(C)n2)C1 975266416 RPGNWKQZMYDJAN-WDEREUQCSA-N 304.354 -0.057 30 20 DBED N#Cc1cc(C(=O)N[C@H]2[C@@H]3CN(C(=O)Cn4ccnc4)C[C@@H]32)c[nH]1 976390024 BHLXRVRXAFUYFU-NHAGDIPZSA-N 324.344 -0.030 30 20 DBED C#CCN1C[C@@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)C(C)(C)C1 977583843 GUJDEVHATRQFMT-LLVKDONJSA-N 320.393 -0.223 30 20 DBED CC#CCN1C[C@@H]2C(CNC(=O)C3CC(=O)NC(=O)C3)[C@H]2C1 978866639 UHTCSFFLLWLTIX-CHWSQXEVSA-N 303.362 -0.644 30 20 DBED C=CCN1CCCN(C(=O)[C@H]2CCN(C)S2(=O)=O)CC1 982165697 QSCVWYGHAWFMAI-GFCCVEGCSA-N 301.412 -0.259 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H](N(C)C(=O)C(N)=O)C1 984256681 RVTUIILNCIGNBG-AVGNSLFASA-N 323.393 -0.098 30 20 DBED C=CCN[C@H]1CCN(C(=O)CN2CCCS2(=O)=O)[C@@H]1C 986335099 PTNOFBYCVHPRGI-NEPJUHHUSA-N 301.412 -0.213 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)c3ncn(C)n3)C[C@H]2C1 986595558 YBEOTHRJPVFUGT-TUAOUCFPSA-N 316.365 -0.105 30 20 DBED C[C@@H]1[C@@H](NC(=O)[C@H]2COCCO2)CCN1C(=O)C#CC1CC1 987373044 KOKIREZVBCJLGT-KWCYVHTRSA-N 306.362 -0.079 30 20 DBED C=C(C)CN[C@@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)[C@H]1C 987577119 RVQMELIFYZOWTJ-WDEREUQCSA-N 306.370 -0.468 30 20 DBED N#Cc1c[nH]c(C(=O)NCC2CC(NC(=O)c3nc[nH]n3)C2)c1 992008098 HDBWVNOCPSSCNI-UHFFFAOYSA-N 313.321 -0.057 30 20 DBED N#CCN1CC[C@]2(NC(=O)CN3CCC(=O)NC3=O)CCC[C@H]12 992428467 MERPDVUJNJXISI-XHDPSFHLSA-N 319.365 -0.435 30 20 DBED C=CCn1cccc1C(=O)NC1CN(C(=O)Cc2nc[nH]n2)C1 994199987 IAUYOELDJFNOCK-UHFFFAOYSA-N 314.349 -0.025 30 20 DBED C[C@H]1[C@@H](NC(=O)c2cn(C)c(=O)nc2O)CCCN1CC#N 994417995 VASLJFVEZCJIEL-ONGXEEELSA-N 305.338 -0.408 30 20 DBED COCCN1C[C@@H](C(=O)N2CCC[C@@H](NCC#N)C2)CC1=O 999297497 HTWRWMOOZNVNMS-QWHCGFSZSA-N 308.382 -0.415 30 20 DBED C[C@@H](NC(=O)c1cnnn1C)C1CN(C(=O)C#CC2CC2)C1 1005995628 IHCRTTVJNASOOU-SNVBAGLBSA-N 301.350 -0.195 30 20 DBED C=CCN1CCC(N(C)C(=O)CN2C(=O)C(=O)N(C)C2=O)CC1 1006084869 YSYLRTKOGPGTTQ-UHFFFAOYSA-N 322.365 -0.484 30 20 DBED C=CCn1cc(C(=O)N2CCN(C(=O)[C@@H]3CCOC3)CC2)nn1 1010615824 XOFYJAZZPSHXEH-GFCCVEGCSA-N 319.365 -0.215 30 20 DBED COCCn1nccc1C(=O)N1CCN(C(=O)[C@@H](C)C#N)CC1 1011292886 YNNSOQSTOIATIF-LBPRGKRZSA-N 319.365 -0.026 30 20 DBED C[C@@H]1[C@@H](NC(=O)c2nnn(C)n2)CCCN1C(=O)C#CC1CC1 1015124076 CBWUDSNYESYROE-PWSUYJOCSA-N 316.365 -0.267 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2cn(C[C@H]3CCOC3)nn2)C1 1015916896 SPXATSNVQXFZLX-CHWSQXEVSA-N 303.366 -0.248 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2CCN(CC(=O)N(C)C)C2)cn1 1016031112 NMKIXXJGCPAHPX-AWEZNQCLSA-N 300.362 -0.045 30 20 DBED C=CCCN1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CCNC(=O)C1 1017794623 MESURNZZXATMAZ-OKILXGFUSA-N 306.410 -0.331 30 20 DBED O=C(C[C@@H]1COC(=O)C1)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1023407775 QPVMAFFEYRHLEK-YNEHKIRRSA-N 320.345 -0.959 30 20 DBED C=C(C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2nc[nH]n2)C1 1025741449 AGEIXJOXQVWRNV-GHMZBOCLSA-N 321.381 -0.363 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCN(Cc2nnn(C)n2)C1 1028808685 CURSADCQLRNNCU-XQQFMLRXSA-N 320.397 -0.261 30 20 DBED C#CCN1CCC2(CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)CC2)C1 1035223587 ANSUFZKTANRCAP-UONOGXRCSA-N 319.405 -0.033 30 20 DBED C=CCN1CCO[C@H](CNC(=O)[C@H]2CCc3nnnn3CC2)C1 1035513752 WQTOISOASUDLHL-QWHCGFSZSA-N 320.397 -0.371 30 20 DBED N#CCN1CCO[C@@H](CNC(=O)[C@@H]2CCCCN2C(N)=O)C1 1035572261 VXUHQRWCAQNQHB-RYUDHWBXSA-N 309.370 -0.740 30 20 DBED C#CCN1CCC(C(=O)NC[C@H]2CN(CCCO)CCO2)CC1 1035613165 FBCPJRDOSIGWBU-INIZCTEOSA-N 323.437 -0.469 30 20 DBED C[C@H]1CN(C(=O)CN2CCCS2(=O)=O)CC[C@H]1NCC#N 1036051335 CFTSQXCTWINVIG-NWDGAFQWSA-N 314.411 -0.628 30 20 DBED C#CCN[C@@H]1CCN(C(=O)CN2CCN(C)C(=O)C2)C[C@@H]1C 1036079107 GKLQPMVSHSQXOQ-UONOGXRCSA-N 306.410 -0.780 30 20 DBED N#CCN1CC[C@@H]2CN(C(=O)c3nnc(O)nc3O)CC[C@H]21 1036763030 UKCFQAXXENILLF-RKDXNWHRSA-N 304.310 -0.657 30 20 DBED C#CCCN1C[C@H]2C[C@H]1[C@H]2NC(=O)c1nc(O)nc(O)c1OC 1037671525 DKRHGLSLWJLNOT-UTLUCORTSA-N 318.333 -0.278 30 20 DBED C#CCN[C@@H]1CCN(C(=O)c2cnc(O)n(C)c2=O)C[C@@H]1CC 1037904845 LQRHHMQHAANABL-WCQYABFASA-N 318.377 -0.051 30 20 DBED C=CCCN1CC[C@@H]1CNC(=O)c1cc(=O)n2[nH]cnc2n1 1038921959 NSMUCXXBYPQBNU-SNVBAGLBSA-N 302.338 -0.202 30 20 DBED CC(C)C#CC(=O)N1CC[C@@](O)(CNC(=O)c2cn(C)nn2)C1 1039616508 RUCQJEPSEPNAQT-OAHLLOKOSA-N 319.365 -0.832 30 20 DBED C=C(C)CCC(=O)NC[C@]1(O)CCN(C(=O)[C@H]2CCC(=O)N2)C1 1039986816 IANNUOANFMYKNE-MLGOLLRUSA-N 323.393 -0.299 30 20 DBED O=C(C#CC1CC1)N1CC[C@H]2CN(c3ccc4nnnn4n3)C[C@H]21 1040610153 HWIIRPLRPIBBNW-QWHCGFSZSA-N 323.360 -0.030 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)c3cnns3)C2)cn1 1040943521 XANXVVKHXONXSK-GHMZBOCLSA-N 316.346 -0.216 30 20 DBED N#Cc1nccc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCCCO3)C2)n1 1040976472 UKCVEULSTOHWMX-UTUOFQBUSA-N 317.349 -0.417 30 20 DBED C=CCOCCCC(=O)N1CC(O)(CNC(=O)c2cc[nH]n2)C1 1041600195 AKEGUXNHHRJGRN-UHFFFAOYSA-N 322.365 -0.304 30 20 DBED CN(C(=O)Cn1ncnn1)C1CN(Cc2ccc(C#N)s2)C1 1042728845 NBVQVOJEEFUIKC-UHFFFAOYSA-N 317.378 -0.051 30 20 DBED O=C(CC1OCCCO1)NCC1(O)CN(C(=O)C#CC2CC2)C1 1042762700 AIQIUXULBCFKTI-UHFFFAOYSA-N 322.361 -0.758 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H](C)CO2)C1 1042799950 YGQLIVOJVBHRKZ-STQMWFEESA-N 308.378 -0.096 30 20 DBED C=CCCCC(=O)N1CC(O)(CNC(=O)c2cnn(CC)n2)C1 1042902331 GOICFJCXPLOISU-UHFFFAOYSA-N 321.381 -0.043 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)[C@@H](C)OCC)C1 1043036900 TVIBDORGNSHNON-NWDGAFQWSA-N 312.366 -0.861 30 20 DBED C=C(C)CCC(=O)NCC1(O)CN(C(=O)c2c[nH]c(=O)cn2)C1 1043311088 OILNFMUREKCFHV-UHFFFAOYSA-N 320.349 -0.571 30 20 DBED C=CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2cnccn2)C1 1043568313 LEZJBMCNEYHHPA-NSHDSACASA-N 320.349 -0.629 30 20 DBED Cn1nncc1C(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@@H]1O 1043924872 QGCRFWPPCDMHIP-PWSUYJOCSA-N 313.321 -0.939 30 20 DBED C=CCn1cc(C(=O)N(C)C2CN(Cc3cnon3)C2)nn1 1044022159 FVYRXTIEEDGZGF-UHFFFAOYSA-N 303.326 -0.197 30 20 DBED Cc1nocc1C(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1044473626 OJUNSHAFOBRWFJ-NEPJUHHUSA-N 314.305 -0.376 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 1045564945 OSDHVWDQBYXZHJ-HBNTYKKESA-N 317.349 -0.638 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)c2oncc2C)C1 1045681387 ONWYQIGPELMACY-UHFFFAOYSA-N 321.333 -0.674 30 20 DBED C=CCCC(=O)N(C)[C@H]1CN(C(=O)CC(=O)NCC)C[C@@H]1O 1048510676 RTEUMGXVYAMYIE-RYUDHWBXSA-N 311.382 -0.491 30 20 DBED CCOCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C#N)[nH]2)C1 1048692220 ZJDKPLKJFDZKSL-STQMWFEESA-N 320.349 -0.433 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2ncc[nH]2)C1 1048793734 FZSDXVCDVLISGY-RYUDHWBXSA-N 304.350 -0.287 30 20 DBED COCC(=O)N1CCC[C@@H](N(CCO)c2cncc(C#N)n2)C1 1049131948 HRCHJFHCFYANOW-CYBMUJFWSA-N 319.365 -0.216 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCCCC(N)=O)C1 1049554797 RWXJAAUDLPOSQN-WOPDTQHZSA-N 324.381 -0.778 30 20 DBED C#CCCN1C[C@@H]2CCCN(C(=O)CN3C(=O)CNC3=O)[C@@H]2C1 1050197124 HLIFDLYIILPEQF-QWHCGFSZSA-N 318.377 -0.516 30 20 DBED C#CCCN1CCOC[C@H]1CNC(=O)[C@@H]1COCCN1CC 1050994068 XNEUKFKLBZPMPN-CABCVRRESA-N 309.410 -0.453 30 20 DBED C#Cc1cncc(C(=O)NC[C@@H]2COCCN2CCCO)c1 1051108072 YOHWWNKVGBADJK-OAHLLOKOSA-N 303.362 -0.124 30 20 DBED Cn1nncc1C(=O)NCC1CC(N=c2cc[nH]c(C#N)n2)C1 1051926745 XDWXTCPRWUIFQQ-UHFFFAOYSA-N 312.337 -0.481 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](N2CCN(CC(=O)N(C)C)CC2)C1 1051998527 VIYUYLUEZDHEMN-UONOGXRCSA-N 321.425 -0.547 30 20 DBED C#CCCN1CCC[C@H](NC(=O)Cn2nc(C)n(C)c2=O)CC1 1052905313 JFCVNHFRZIIISV-AWEZNQCLSA-N 319.409 -0.116 30 20 DBED C#CCN1CC2(C1)CN(C(=O)c1cnc3n1CCOC3)CCO2 1053296091 BACAKCVWNLXRHB-UHFFFAOYSA-N 316.361 -0.427 30 20 DBED C=CCCN1CC2(C1)CN(C(=O)[C@H]1CC[C@H]1C(N)=O)CCO2 1053373208 MOTWSCAZPVOFHQ-OLZOCXBDSA-N 307.394 -0.013 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)[C@H]1CCCN1C(C)=O)CCO2 1053544883 IHJOECRNGICNNS-OAHLLOKOSA-N 319.405 -0.066 30 20 DBED C=CCN1CC2(CC[C@@H](CNC(=O)[C@H]3CN(C)C(=O)N3)O2)C1 1053642761 JQVGKMABNJUCAI-NWDGAFQWSA-N 308.382 -0.454 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)c3ccc(C(N)=O)cn3)CO2)C1 1054023124 UJFCPWITVXGJHR-LBPRGKRZSA-N 314.345 -0.613 30 20 DBED CC(=O)NC(C)(C)C(=O)N1C[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2C1 1055398898 VLYRKGZLPXZSFN-RTXFEEFZSA-N 320.393 -0.022 30 20 DBED COCC(=O)NCCN1CCC(NC(=O)C#CC(C)C)CC1 1055495567 ZIRCFYLLVFGYSL-UHFFFAOYSA-N 309.410 -0.011 30 20 DBED C=CCCOCC(=O)N1CCC[C@](CO)(NC(=O)COC)C1 1055708303 ZGLZJRYLDOMTPC-HNNXBMFYSA-N 314.382 -0.305 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCC[C@H]2CN(C(=O)C(N)=O)C[C@H]21 1056681411 IKDWJRCRLOBPPS-SDDRHHMPSA-N 309.366 -0.488 30 20 DBED C=C[C@@](C)(CC)C(=O)NCCN(CCO)C(=O)CNC(C)=O 1056815808 CSCKUABLXUGOPV-HNNXBMFYSA-N 313.398 -0.338 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCN(CCO)C(=O)c1cc[nH]n1 1057045363 SSTVWNORKWOSJF-CQSZACIVSA-N 310.354 -0.713 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)c1cc(C(N)=O)co1 1057171145 PNUYUZIZSGGSQT-UHFFFAOYSA-N 323.349 -0.105 30 20 DBED N#Cc1cncc(N2CCCN(C(=O)[C@@H]3CNC(=O)N3)CC2)n1 1057216072 ADUSFTGVCQFLQG-NSHDSACASA-N 315.337 -0.932 30 20 DBED N#Cc1ccc(N2CCCN(C(=O)[C@H]3CNC(=O)N3)CC2)nn1 1057216362 PMXCOWVDDKQPFG-LLVKDONJSA-N 315.337 -0.932 30 20 DBED Cc1[nH]nc(C(=O)N(CCO)CCNC(=O)[C@H](C)C#N)c1O 1057354564 YKFXYXAHBMJHKR-MRVPVSSYSA-N 309.326 -0.866 30 20 DBED C=C[C@](C)(O)CC(=O)N(CCO)CCNC(=O)[C@@H]1CCCO1 1057450399 PSQIZUAUPKPBSR-WFASDCNBSA-N 314.382 -0.570 30 20 DBED N#Cc1cnc(N[C@@H]2CCCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)cn1 1057760056 GTJYCMAMAFMGKW-JLLWLGSASA-N 314.349 -0.127 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)c1nonc1C 1058003373 JHOYTPCISGSTKF-UHFFFAOYSA-N 312.326 -0.869 30 20 DBED CN1C[C@@H](C(=O)N[C@H]2CCN(c3ccnc(C#N)n3)C2)CC1=O 1058578724 ZXWVYWLMBNUTPT-QWRGUYRKSA-N 314.349 -0.479 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)[C@H](C)c1ccnn1C 1058660943 LMTXLYHMYXAWCH-VXGBXAGGSA-N 321.381 -0.380 30 20 DBED CN1CC[C@H](C(=O)N[C@H]2C[C@@H](Nc3ccc(C#N)nn3)C2)C1=O 1059786380 OSWZFJLRQMPDBO-GRYCIOLGSA-N 314.349 -0.114 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](CNc2nccn3nnnc23)C1 1060826457 YHUOJCAQQZLOLU-NXEZZACHSA-N 300.326 -0.061 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)CN1CCCC1=O 1061277693 JYXJGFKBNQSMCQ-RYUDHWBXSA-N 322.365 -0.888 30 20 DBED N#Cc1cnc(N2CCC[C@@H]2CNC(=O)[C@H]2COC(=O)N2)cn1 1061353899 TYZINXDUXMXTMB-GHMZBOCLSA-N 316.321 -0.458 30 20 DBED Cn1nnc(C(=O)NC[C@H]2CCCN2c2ccc(C#N)nc2)n1 1061429060 UIQXTMGIZNGURP-LLVKDONJSA-N 312.337 -0.124 30 20 DBED N#Cc1cncc(N2CC[C@H](CNC(=O)[C@@H]3COC(=O)N3)C2)n1 1061593339 WZPLYQALQOXONJ-KOLCDFICSA-N 316.321 -0.601 30 20 DBED CN(C(=O)[C@@H]1COCCO1)[C@H]1CCN(c2nccnc2C#N)C1 1062887698 YBJRLDSILKTTDU-AAEUAGOBSA-N 317.349 -0.199 30 20 DBED C#CCOCCC(=O)NC[C@H]1CN(C(=O)COCC)CCO1 1064806973 PGVTYQFFQGKUHS-ZDUSSCGKSA-N 312.366 -0.594 30 20 DBED C=CCCC(=O)N1CCO[C@@H](CNC(=O)[C@@H](C)NC(C)=O)C1 1064953665 KSOFXASFMXJXNO-YPMHNXCESA-N 311.382 -0.179 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC[C@H](NC(=O)CC(=O)NC)CC1 1066086519 IIVQNOYNRXOXMX-OLZOCXBDSA-N 323.393 -0.342 30 20 DBED C[C@@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1Nc1ccc(C#N)cn1 1067042707 VQLKFZJVXNTISZ-PWSUYJOCSA-N 312.337 -0.101 30 20 DBED C[C@H](Nc1ccc(C#N)cn1)[C@@H]1CN(C(=O)C(N)=O)CCO1 1068243606 KYDDTDYCNLAPDN-ONGXEEELSA-N 303.322 -0.534 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1COC2(C1)CN(C(=O)C1=CCOCC1)C2 1069003125 KFCKZTOAYBASRW-AAEUAGOBSA-N 319.361 -0.021 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1COC2(C1)CN(C(=O)CCCN(C)C)C2 1069007853 LJOGZVHSYBVBLM-OLZOCXBDSA-N 322.409 -0.026 30 20 DBED CC(=O)N[C@H](C)C(=O)NC1(CNC(=O)[C@H](C)C#N)CCOCC1 1069969964 OPWCVWUHLXTUCE-GHMZBOCLSA-N 324.381 -0.548 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)c4cn(CC)nn4)C[C@@]3(C1)O2 1070871999 KEFATDPHIOTSIQ-WOSRLPQWSA-N 315.377 -0.154 30 20 DBED N#CCN1CCNC(=O)CCN(C(=O)[C@H]2CCCOCC2)CC1 1070958656 LYXFSUSOJGZZEF-AWEZNQCLSA-N 322.409 -0.023 30 20 DBED C#CCCCC(=O)N1C[C@H](C)[C@@H](NC(=O)CC(=O)NCC#C)C1 1072000227 SXMMBWHMPOJEIG-KBPBESRZSA-N 317.389 -0.108 30 20 DBED C=CCCC(=O)N[C@@H]1CN(C(=O)CS(=O)(=O)NC)C[C@H]1C 1072144903 BNYMYRVZEMTKIG-GHMZBOCLSA-N 317.411 -0.535 30 20 DBED C[C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@H]1NC(=O)C#CC1CC1 1072293572 GLUYTIXQWPOIJQ-ZYHUDNBSSA-N 305.378 -0.126 30 20 DBED C=C1CC(C)(C(=O)N2C[C@H](C)[C@H](NC(=O)CNC(N)=O)C2)C1 1072698409 LWNYVPQKGMWQIW-WDEREUQCSA-N 308.382 -0.026 30 20 DBED C#CCNC(=O)CC(=O)NC1(C)CCN(C(=O)C(F)F)CC1 1072806620 UDDBOEYSYPLJAN-UHFFFAOYSA-N 315.320 -0.112 30 20 DBED C[C@H](C#N)C(=O)NC1(C)CCN(C(=O)[C@H]2COCCN2C)CC1 1072958329 YQBSIRXDLHNEOC-CHWSQXEVSA-N 322.409 -0.026 30 20 DBED C[C@H]1[C@@H](NCC#N)CCN1C(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 1074648506 BIEWJFADBKHSMY-GVXVVHGQSA-N 316.365 -0.135 30 20 DBED C[C@@H](CC(N)=O)C(=O)NCC1(O)CCN(C(=O)[C@H](C)C#N)CC1 1074706965 SDSBBJHCZOHTPC-WDEREUQCSA-N 324.381 -0.873 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC[C@H](C)NC(=O)C1(C(N)=O)CC1 1076304734 BASNBKPQFFLHOO-IINYFYTJSA-N 311.382 -0.410 30 20 DBED C[C@@H](CCNC(=O)C#CC1CC1)NC(=O)C[C@@H]1CCNC1=O 1076428839 MHTKVJFNMUAYPO-AAEUAGOBSA-N 305.378 -0.063 30 20 DBED C[C@H](C(=O)N(C)C)N1C[C@@H](O)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 1076898454 JVFTZRJBPLNYJJ-OASPWFOLSA-N 319.365 -0.862 30 20 DBED C=CCCC(=O)N[C@@H](C)CCNC(=O)c1cn(CC(N)=O)nn1 1076923289 LKHRMSBGFHWBAR-JTQLQIEISA-N 322.369 -0.646 30 20 DBED C[C@@H](CCNC(=O)[C@H](C)C#N)NC(=O)c1ccc(C(N)=O)cn1 1078135195 SWMXMGIRPUGZEV-ZJUUUORDSA-N 317.349 -0.035 30 20 DBED N#CCN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)C1CC(=O)NC(=O)C1)C2 1079062064 IJYDTTALHFXQFZ-YUSALJHKSA-N 304.350 -0.468 30 20 DBED C#CCCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cc[nH]n2)C1 1081285911 FLNHHXQEJQXPCJ-WCQYABFASA-N 304.350 -0.238 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)CN(C)C(C)=O)C[C@H]1O 1081332799 KXNPRCAIFSEUHX-QWHCGFSZSA-N 311.382 -0.634 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)Cn2ccnc2)C[C@H]1O 1081444769 MTGGTEZWJMYBEL-UONOGXRCSA-N 318.377 -0.378 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(C(=O)c2ccc[nH]2)C[C@@H]1O 1081468362 IUWFOLDQHSUPFP-JSGCOSHPSA-N 301.346 -0.023 30 20 DBED C#CCCCC(=O)N1C[C@H](CNC(=O)Cn2cncn2)[C@@H](O)C1 1081788869 QLXINXARPIYPMU-STQMWFEESA-N 319.365 -0.983 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@@H]1CCc2cncn2C1 1081870588 DWVRWOYHRBXKME-MRVWCRGKSA-N 303.366 -0.216 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CN(C[C@@H]3CCOC3)C[C@@H]2O)c1 1083390372 ODGFUOAZCONBEX-GDLCADMTSA-N 304.350 -0.302 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CCN(CCCO)C[C@H]21 1084418196 ZSTWZDFVHDCFAO-OWCLPIDISA-N 305.422 -0.001 30 20 DBED CN(C[C@@H]1CCN1CC#N)C(=O)c1cnn2c(=O)cc[nH]c12 1085861474 ZEZMTJMAIXPRLM-JTQLQIEISA-N 300.322 -0.308 30 20 DBED C[C@H]1CC2(CCN(CC#N)CC2)CN1C(=O)[C@@H]1CNC(=O)N1 1086940753 YZTPGQDVUUDVRX-RYUDHWBXSA-N 305.382 -0.106 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)[C@H](C)N3C(=O)CCC3=O)C[C@@H]2C1 1087985947 NARNIYZVUCSINZ-MJBXVCDLSA-N 317.389 -0.063 30 20 DBED Cn1ncc(C2CC2)c1C(=O)N[C@@H]1CCN(CC#N)C[C@H]1O 1090315489 JQPULTLLFITOKO-CHWSQXEVSA-N 303.366 -0.014 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2cnc3[nH]c(O)nc3c2)[C@H](O)C1 1090379172 VNXGHZGOQJFCOG-ZYHUDNBSSA-N 315.333 -0.538 30 20 DBED C=CCCN1CC[C@H](NC(=O)c2ccc3nnnn3c2)[C@H](O)C1 1090431435 XVJWMCYIQOMDGS-QWHCGFSZSA-N 316.365 -0.135 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2ccc(C(N)=O)cn2)[C@@H](O)C1 1090843780 LFXICKLTCDSJJK-JSGCOSHPSA-N 316.361 -0.631 30 20 DBED CN(CCOCCN(C)c1ncccc1C#N)C(=O)CC(N)=O 1091886987 BPYONEITIKQYHV-UHFFFAOYSA-N 319.365 -0.260 30 20 DBED C#CCN1CC(OC2CCN(C(=O)Cc3nc[nH]n3)CC2)C1 1093590093 FBFDIYQVUOWQCI-UHFFFAOYSA-N 303.366 -0.328 30 20 DBED C=CCn1cc(C(=O)NCc2cn(C3CN(CC)C3)nn2)nn1 1094325393 MEWRMDLILWHWII-UHFFFAOYSA-N 316.369 -0.138 30 20 DBED N#Cc1cc(C(=O)N[C@H]2CC(=O)N(C3CN(CCF)C3)C2)c[nH]1 1094720835 ALFKSTUUSDGVPW-LBPRGKRZSA-N 319.340 -0.129 30 20 DBED Cc1ccn(CC(=O)N[C@H]2CC(=O)N(C3CN(CC#N)C3)C2)n1 1094787247 PSCVMGSESVQWOI-LBPRGKRZSA-N 316.365 -0.884 30 20 DBED C=C(C)CN1CC(N2C[C@H](NC(=O)[C@@H]3CCC(=O)N3)CC2=O)C1 1094808189 IIJTXDRIVROGPN-YPMHNXCESA-N 320.393 -0.758 30 20 DBED CC(=O)N(C)CC(=O)N1CCCN(c2nccnc2C#N)CC1 1095163623 RGFUCFVINGJETP-UHFFFAOYSA-N 316.365 -0.135 30 20 DBED CN(CCCNC(=O)Cn1cnnc1O)c1cnc(C#N)cn1 1095541287 PQDNQHPOQVJQHY-UHFFFAOYSA-N 316.325 -0.712 30 20 DBED N#Cc1cncc(N[C@@H](CNC(=O)[C@@H]2CCNC2=O)C2CC2)n1 1096783799 OFWYJXSSQQDOSP-NEPJUHHUSA-N 314.349 -0.209 30 20 DBED C[C@@H](CNC(=O)c1c[nH]c(C(N)=O)c1)N=c1cc[nH]c(C#N)n1 1097860444 KSUUAJMDHYYWDF-QMMMGPOBSA-N 313.321 -0.572 30 20 DBED C[C@H](CNC(=O)CCN1CCCC1=O)N=c1cc[nH]c(C#N)n1 1097864765 WDFPHUGOEADEOM-LLVKDONJSA-N 316.365 -0.301 30 20 DBED C[C@@H](CC(=O)NC[C@@H](C)Nc1ccc(C#N)nn1)NC(N)=O 1098075893 ILQXEXGPOZTRPV-DTWKUNHWSA-N 305.342 -0.288 30 20 DBED C=C(C)CN(CCO)C1CCN(C(=O)[C@H]2COC(=O)N2)CC1 1098360171 ZOIFHLKHMUAKBU-CYBMUJFWSA-N 311.382 -0.044 30 20 DBED CC#CCN(CCO)C1CCN(C(=O)C(=O)NCC2CC2)CC1 1098514387 SFQDGTOXZNKZHX-UHFFFAOYSA-N 321.421 -0.179 30 20 DBED CC(=O)N1CCC[C@@H]1C(=O)N1CCC(N(CC#N)CCO)CC1 1098575520 SOKZMQCEHMGRAO-OAHLLOKOSA-N 322.409 -0.194 30 20 DBED CC(=O)NCC(=O)N1CCC[C@H](N(C)c2nccnc2C#N)C1 1098667487 BMQWIIDEWQLEDL-LBPRGKRZSA-N 316.365 -0.088 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(CCn2cccn2)C[C@H]1O 1099738900 UCOGTYPMAHFKJJ-UONOGXRCSA-N 308.382 -0.363 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CCCNC(=O)C2CC2)[C@@H](O)C1 1099858938 UDPFAYNETBAFMG-CABCVRRESA-N 321.421 -0.133 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)C(=O)NCC(F)F)[C@H](O)C1 1099902318 XMQJUSPAMVAQAW-NXEZZACHSA-N 305.325 -0.505 30 20 DBED N#CCN1CC[C@H](NC(=O)CC(=O)NCC(F)(F)F)[C@H](O)C1 1100056545 WGHIMYFUJRSKGQ-DTWKUNHWSA-N 322.287 -0.870 30 20 DBED CC#CCN1CC[C@H](NC(=O)CCCn2cncn2)[C@@H](O)C1 1100065061 WXCZUVYCGGPGSM-KBPBESRZSA-N 305.382 -0.367 30 20 DBED CCCNC(=O)CCCC(=O)N[C@H]1CCN(CC#N)C[C@@H]1O 1100079215 VZULUBFGXGMJFN-STQMWFEESA-N 310.398 -0.242 30 20 DBED CO[C@@H](C(=O)NCC1CC(NCC(=O)NCC#N)C1)C1CC1 1100295323 KJMACUUQMKCUMW-MMWSSPAHSA-N 308.382 -0.464 30 20 DBED CCN(CCNC(=O)C[C@H]1CCC(=O)N1)c1ccc(C#N)nn1 1100568326 BPKZNGUQGMICKF-LLVKDONJSA-N 316.365 -0.041 30 20 DBED CC(=O)N(C)CC(=O)NC[C@@H]1CCCN1c1nccnc1C#N 1100789562 JZIKUWJUOBBWHT-LBPRGKRZSA-N 316.365 -0.088 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)C23CCN(CC2)C3)C1 1100871336 MVKFIQWPAMPHHC-UHFFFAOYSA-N 318.421 -0.684 30 20 DBED CC(=O)NCC(=O)NC[C@@H]1CCN(c2nc(C)cc(C#N)n2)C1 1100925871 HXUDKQKPPQESOG-LBPRGKRZSA-N 316.365 -0.265 30 20 DBED COCC#CCNC1CC(CNC(=O)[C@@H]2CCC(=O)N(C)C2)C1 1101037428 MIXRBDZTTNBWIT-SHARSMKWSA-N 321.421 -0.011 30 20 DBED CCN1CCO[C@H](C(=O)N(C)CCNc2cnc(C#N)cn2)C1 1101638483 VEPCHLMJQFSSEA-ZDUSSCGKSA-N 318.381 -0.061 30 20 DBED Cc1cc(C#N)nc(NCCN(C)C(=O)Cn2nccn2)n1 1101805704 KRWIFDGHBKFWDU-UHFFFAOYSA-N 300.326 -0.181 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H]1CN(Cc2nnn(C)n2)C[C@H]1C 1101958572 KZCNVOLIAGEURU-FRRDWIJNSA-N 320.397 -0.568 30 20 DBED CN1C[C@H](C(=O)N(C)CCN=c2cc[nH]cc2C#N)CC1=O 1102004015 AJTVAWZMNCCSQE-LLVKDONJSA-N 301.350 -0.276 30 20 DBED C[C@@](CN=c1cc[nH]cc1C#N)(NC(=O)CC(N)=O)C1CC1 1103507093 PPXWQOTXMBCMBZ-HNNXBMFYSA-N 301.350 -0.053 30 20 DBED C[C@H](CNC(=O)[C@H]1CN(C)C(=O)N1)CNc1cncc(C#N)n1 1104177362 SNNJWIFZJRJBEZ-GXSJLCMTSA-N 317.353 -0.464 30 20 DBED C[C@H](CN=c1cc[nH]cc1C#N)N(C)C(=O)c1nnn(C)n1 1104763223 CQDFZZXZRNTHLV-SECBINFHSA-N 300.326 -0.529 30 20 DBED CC(C)[C@@H](CNC(=O)Cn1ncnn1)N=c1cc[nH]c(C#N)n1 1105235195 VQPURWCLFGDLTH-SNVBAGLBSA-N 315.341 -0.990 30 20 DBED C#CCNCc1cn(C2CN(C(=O)[C@H](C)NC(=O)CC)C2)nn1 1105246620 FDKDLPTYSITPDX-NSHDSACASA-N 318.381 -0.701 30 20 DBED CN(CCN(C)c1cncc(C#N)n1)C(=O)c1cn(C)nn1 1105384646 JKTNJRWLLJKVKL-UHFFFAOYSA-N 300.326 -0.315 30 20 DBED CN(C)C(=O)CC(=O)N(C)CCN(C)c1cncc(C#N)n1 1105575897 ZCMHNJIGMJGZLT-UHFFFAOYSA-N 304.354 -0.279 30 20 DBED N#Cc1nccnc1NC[C@H](O)CNC(=O)C[C@H]1CCCO1 1105718820 RSCGEWDQDCWNNG-GHMZBOCLSA-N 305.338 -0.194 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)[C@H]2CCC(=O)N2)nc1 1105750066 GSWCCWDWULEEIZ-GHMZBOCLSA-N 303.322 -0.879 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)CCn2ccnn2)cn1 1105795099 TXGYFNNVSUCQMN-ZDUSSCGKSA-N 315.337 -0.476 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](C)[C@H](CNCCN2C(=O)CCC2=O)C1 1105951297 AHZBDOOFLAZZLX-YNEHKIRRSA-N 320.393 -0.021 30 20 DBED Cc1ccc(C#N)c(NC[C@@H](O)CNC(=O)[C@@H]2CCNC2=O)n1 1106052368 YMVNGBVAPFGMEC-VXGBXAGGSA-N 317.349 -0.713 30 20 DBED C[C@@H]1CCCN1CC(=O)NC[C@@H](O)CNc1cnc(C#N)cn1 1106108666 MQTZIFBVHUAHBO-YPMHNXCESA-N 318.381 -0.278 30 20 DBED N#Cc1nccnc1NC/C=C\CNC(=O)[C@@H]1CCNC(=O)C1 1107121860 FTBFRMNKCXCMFA-RFMOXSJOSA-N 314.349 -0.041 30 20 DBED C#CCN1CC[C@@]2(CNC(=O)CN3C(=O)CNC3=O)CCC[C@@H]12 1107627912 ITWYNLJQTIKEMD-MLGOLLRUSA-N 318.377 -0.468 30 20 DBED CCS(=O)(=O)CC(=O)N[C@H](C)CNc1cncc(C#N)n1 1107791506 DPSLMBDZUQZXBK-SECBINFHSA-N 311.367 -0.300 30 20 DBED C=CCOCC(=O)NC[C@@]1(C)CN([C@@H](C)C(=O)NC)CCO1 1107812738 CYCHDPOBWVSQAG-WFASDCNBSA-N 313.398 -0.469 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@]1(C)CN(CCn2cncn2)CCO1 1107821196 KXEBSRYOBVWTBP-JSGCOSHPSA-N 306.370 -0.355 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)[C@@H]2CCCN2CC#C)C1 1108001371 BHYOWGBZMAATBH-DOTOQJQBSA-N 303.406 -0.076 30 20 DBED COCCn1nccc1C(=O)NC[C@]1(C)CN(CC#N)CCO1 1108017607 UPCPLZJHYJQYBJ-OAHLLOKOSA-N 321.381 -0.126 30 20 DBED C#CCOCCC(=O)N[C@@H]1CC(=O)N(C2CN(CCF)C2)C1 1108545771 FROGBJQWXBOBLF-GFCCVEGCSA-N 311.357 -0.603 30 20 DBED CC#CCCCC(=O)N[C@H]1CC(=O)N(C2CN(CCO)C2)C1 1108563370 LXDRVZORLBCARW-ZDUSSCGKSA-N 307.394 -0.426 30 20 DBED C[C@@H](CN(C)c1cncc(C#N)n1)NC(=O)[C@@H](C)CC(N)=O 1109206288 UPYKXOALCWYAAX-UWVGGRQHSA-N 304.354 -0.199 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cnnn1C 1109217322 JYPLCRADYLOJJG-AGIUHOORSA-N 303.366 -0.200 30 20 DBED COC[C@@H](OC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1109695702 FBFXRVHMIRRNSD-MROQNXINSA-N 324.381 -0.991 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1[C@H]2C[C@H]1N(c1nccnc1F)C2 1109704666 ZENDSLUFDJUKLJ-OPQQBVKSSA-N 317.324 -0.552 30 20 DBED N#Cc1cnc(NC2(CNC(=O)[C@H]3COC(=O)N3)CC2)cn1 1110121665 IZIUXSWHEQTFMD-SECBINFHSA-N 302.294 -0.483 30 20 DBED CC(=O)N[C@@H](C)C(=O)N[C@]1(C)CCN(c2ccc(C#N)nn2)C1 1110716827 KIXYFAHHKRROAZ-ZUZCIYMTSA-N 316.365 -0.042 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H]1CCN(C)C1=O 1110921285 MEWVFPRDDJCFAC-BARDWOONSA-N 319.405 -0.164 30 20 DBED N#Cc1nccc(NC2(CNC(=O)CC(N)=O)CCOCC2)n1 1110979449 LJXWVAWPICVZEN-UHFFFAOYSA-N 318.337 -0.699 30 20 DBED N#Cc1cnc(N2CC[C@](O)(CNC(=O)[C@H]3CCOC3)C2)cn1 1111043536 HESANHQVYSKQOL-NHYWBVRUSA-N 317.349 -0.558 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@]1(O)CCN(c2cc(F)ncn2)C1 1111098992 YIHLKEJPBBWZLT-XHDPSFHLSA-N 322.340 -0.289 30 20 DBED CCN(C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1111228283 DGQPCBMQVNMURA-MCIONIFRSA-N 321.425 -0.311 30 20 DBED CC(=O)NCC(=O)N1CCO[C@H](CNc2ccc(C#N)nc2)C1 1111929713 PRGQFPGTDVYHKN-CQSZACIVSA-N 317.349 -0.271 30 20 DBED N#Cc1cncc(N2CCC[C@@H](NC(=O)CNC(N)=O)CC2)n1 1111966764 YDLHCMNALLUNKM-SNVBAGLBSA-N 317.353 -0.508 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCN(Cc2cnnn2CC)CC1 1112845029 QXMTXECDMIYSTI-ZDUSSCGKSA-N 305.382 -0.020 30 20 DBED C[C@@H](CNC(=O)[C@H]1CN(C)CCO1)N(C)c1cncc(C#N)n1 1113534347 XZAPUSBMVTYTBA-WCQYABFASA-N 318.381 -0.380 30 20 DBED N#CCSCC(=O)NC1[C@@H]2CN(CC(=O)NCC3CC3)C[C@@H]12 1113891737 XDQXNESNAHOVFD-VXGBXAGGSA-N 322.434 -0.184 30 20 DBED C[C@H]1CCN(c2cncc(C#N)n2)C[C@H]1NC(=O)CNC(N)=O 1113998507 YUWFRSHRGVGXSF-GXSJLCMTSA-N 317.353 -0.652 30 20 DBED N#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)C3=COCCC3)[C@H]2C1 1114002959 QZBDAKIUORKZFX-IMRBUKKESA-N 304.350 -0.633 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1[C@@H]2CN(Cc3conc3C)C[C@@H]21 1114157267 BHMRSEVFJWVUCP-VIKVFOODSA-N 316.361 -0.331 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)CCOCC3CC3)[C@@H]2C1 1114275543 HRVMONFSZQKMNP-ZIAGYGMSSA-N 319.405 -0.401 30 20 DBED N#Cc1ccc(N2C[C@H]3[C@H](CNC(=O)CNC(N)=O)[C@H]3C2)nc1 1114500126 DAGSYYPEIUZELI-CNDDSTCGSA-N 314.349 -0.580 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)c3[nH]nnc3C)[C@H]2C1 1114659727 DXNJCFIVRZFNQI-UWVGGRQHSA-N 304.354 -0.925 30 20 DBED C#CCNC1(CNC(=O)c2nnc(O)nc2O)CCCCC1 1115617118 CVZVOFDSQHHWHN-UHFFFAOYSA-N 305.338 -0.062 30 20 DBED COC(=O)[C@@]1(F)CCN(C(=O)C(=O)Nc2cnn(CC#N)c2)C1 1116336100 GMTJKDDLLIEQMD-CYBMUJFWSA-N 323.284 -0.541 30 20 DBED C[C@H]1CCCN1C(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1117318741 ZYGODRSDAMUIPE-ZFEMDRMUSA-N 320.349 -0.360 30 20 DBED C[C@@H](C#N)C(=O)NC1CC2(C1)CC(N[C@@H]1CCC(=O)NC1=O)C2 1120855169 XGAOPVSRHFJACD-VFTGHBRKSA-N 318.377 -0.032 30 20 DBED Cc1cc(C(=O)NC[C@@H](CO)N=c2cc[nH]c(C#N)n2)co1 1121359700 KTQCHBJFHWVYIW-NSHDSACASA-N 301.306 -0.126 30 20 DBED CN1CC[C@@H](CC(=O)NC[C@@H](CO)N=c2cc[nH]c(C#N)n2)C1 1121805875 FSUWNAROBPHQMN-RYUDHWBXSA-N 318.381 -0.999 30 20 DBED CNC(=O)CC(=O)N1C[C@H](N=c2cc[nH]cc2C#N)C[C@H]1C 1123202849 LDSHGXUTMMXFEI-ZYHUDNBSSA-N 301.350 -0.087 30 20 DBED N#CCOc1ccc(CNCCNC(=O)CNC(N)=O)cc1 1123258147 NFYZDSVQERNMNT-UHFFFAOYSA-N 305.338 -0.537 30 20 DBED C[C@H](C#N)C(=O)N(C)C[C@H](O)CNc1ncnc2c1nnn2C 1124191476 MWHNAYBGSVCDBU-RKDXNWHRSA-N 318.341 -0.851 30 20 DBED C[C@@H](CC(N)=O)C(=O)N(C)C[C@@H](O)CNc1ncccc1C#N 1124689504 SICUAIIZEKXWJU-JQWIXIFHSA-N 319.365 -0.304 30 20 DBED CNC(=O)CC(=O)N(C)C[C@H](O)CN(C)c1ccc(C#N)nc1 1125069097 FAWZPNJDAMOXBL-CYBMUJFWSA-N 319.365 -0.655 30 20 DBED C[C@@H]1CN(C(=O)CNCCNC(=O)c2cc(C#N)c[nH]2)CCO1 1125370848 XFJFLUKGSLVQAP-LLVKDONJSA-N 319.365 -0.547 30 20 DBED C[C@H](NC(N)=O)C(=O)NCCNCC#Cc1ccc(F)cc1 1126198615 CYYVUBDNGSRCER-NSHDSACASA-N 306.341 -0.060 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)C#CC1CC1 1126886559 XCWPUUOYOBVXEP-NSHDSACASA-N 306.366 -0.494 30 20 DBED C=C(C)CN1CCn2ncc(CNC(=O)Cn3ncnn3)c2C1 1128355798 GHFKQIDKFXYJAK-UHFFFAOYSA-N 316.369 -0.422 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cc(C2CC2)n(C)n1 1128865317 VZEIVZLYPQPUCZ-UHFFFAOYSA-N 303.366 -0.634 30 20 DBED CC(C)N(C)CC(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1 1129461535 WPXIJUKKTOATDI-OLZOCXBDSA-N 305.386 -0.517 30 20 DBED C=CCN[C@@H]1CN(C(=O)[C@@H](C)CC(N)=O)C[C@@H]1n1ccnn1 1129956394 HKTXCEJRSJGJJX-TUAOUCFPSA-N 306.370 -0.683 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@H](NC(C)=O)C1CCCC1 1131080483 ZSXCEDHVXPSGSY-OAHLLOKOSA-N 324.425 -0.311 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)CCc1nc(C)no1 1132120902 CUSDWXLBLZVKSB-JTQLQIEISA-N 309.370 -0.293 30 20 DBED N#Cc1ccc(F)c(CNCCNC(=O)[C@H]2CNC(=O)N2)c1 1133111517 FOAZMILKZLVGHR-GFCCVEGCSA-N 305.313 -0.415 30 20 DBED C#CCCN[C@H](C)C[C@@H](C)NC(=O)CS(=O)(=O)CCOC 1134764473 OEIYLBYZSKTQFS-CHWSQXEVSA-N 318.439 -0.056 30 20 DBED C#CCCN[C@H](C)C[C@H](C)NC(=O)CCCS(N)(=O)=O 1135326179 TXGVSEZLMABKPO-NEPJUHHUSA-N 303.428 -0.049 30 20 DBED COCC#CCNCCNC(=O)c1cccc(-n2cncn2)n1 1136018948 DOMGXTNFVWGZPN-UHFFFAOYSA-N 314.349 -0.369 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)Cc1cnc[nH]1)C2 1148351788 PEXPAVQFZVDROQ-UHFFFAOYSA-N 315.377 -0.764 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC2(CCN(Cc3nnnn3C)C2)C1 1148873974 DDQJCKHPOXRSOQ-LBPRGKRZSA-N 320.397 -0.165 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)C(C)(C)NC(=O)NCC)C1 1150403163 JTTYDVBYJRGUDQ-ZDUSSCGKSA-N 324.425 -0.076 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)[C@H]2CN(CC)CCO2)C1=O 1151740929 ZOFOBNUVTJYRSI-UONOGXRCSA-N 324.425 -0.800 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)[C@H]1CC(=O)N(C)C1 1153688560 LPHMXMLQYZAMJA-OLZOCXBDSA-N 322.409 -0.959 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)[C@@H](C)CC(N)=O 1154592543 PQPIJYFEVGQXAG-NWDGAFQWSA-N 310.398 -0.926 30 20 DBED CC#CCN(C)C[C@H]1CCCCN1C(=O)Cn1ncn(C)c1=O 1158148286 LFQMVLVAOWNKBI-CQSZACIVSA-N 319.409 -0.082 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)Cn1cncc1C 1162646570 GSGUXPDCZMWFDH-ZDUSSCGKSA-N 307.398 -0.022 30 20 DBED COCC#CCNCC1(CCNC(=O)CNC(=O)OC)CC1 1163615254 QXUGEZUCXKJMMX-UHFFFAOYSA-N 311.382 -0.132 30 20 DBED C=CCn1cc(C(=O)NCCCN[C@@H]2CCN(C)C2=O)nn1 1167839112 UDXJIEGSELKKRM-LLVKDONJSA-N 306.370 -0.596 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)[C@@H]1CCCN1C(C)=O 1171643638 PLGLMUNNLUHIAT-JSGCOSHPSA-N 322.409 -0.769 30 20 DBED C=CCNC(=O)CN1CCO[C@@H]2CCN(C(=O)C(F)F)C[C@@H]21 1176870376 FMRLRNPPVHKFNX-WDEREUQCSA-N 317.336 -0.145 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)CCCC(N)=O)C1=O 1177392506 BVTLGARKVCJDOL-LBPRGKRZSA-N 310.398 -0.475 30 20 DBED CC(C)C#CC(=O)N1CC[C@H](NCCNS(C)(=O)=O)[C@@H]1C 1178653173 PQKQYDKZYMUNSG-STQMWFEESA-N 315.439 -0.226 30 20 DBED C=CCOCCN[C@@H]1CCN(C(=O)[C@@H](C)N2C(=O)CCC2=O)C1 1183033105 PPQCPNCEADEHQH-CHWSQXEVSA-N 323.393 -0.083 30 20 DBED C#CCN1C[C@@H]2CCN(C(=O)CNC(=O)N3CCCC3)[C@@H]2C1 1187903212 DSIBCCGJSSCLAP-UONOGXRCSA-N 304.394 -0.042 30 20 DBED CC1(C)CC(C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@H]2O)C1 1192598925 BQDUYRQASIEPOV-VXGBXAGGSA-N 308.382 -0.776 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2cc(C)on2)C[C@H]1O 1192844237 MSOZHHBICKECGA-MRVWCRGKSA-N 307.350 -0.317 30 20 DBED C[C@H](C#N)C(=O)N1CCCN(CC(=O)NC[C@H]2CCCO2)CC1 1195314579 NBZUIYGDDZTLNJ-ZIAGYGMSSA-N 322.409 -0.024 30 20 DBED C=CCCC1(C(=O)N[C@@H]2CN(C[C@@H](O)COC)C[C@H]2O)CC1 1195906401 YOXWHWQMBIXSFD-MGPQQGTHSA-N 312.410 -0.099 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C2(C(C)C)CC2)C1 1196054478 UISYNZZDYRTDHV-CHWSQXEVSA-N 307.394 -0.667 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)CCNC(=O)C2CCCCC2)C1 1196897869 FKFAKHUFVOUBED-HUUCEWRRSA-N 321.421 -0.133 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(CC(=O)N(C)CC)C[C@H]1O 1199315481 YZANYOVVNSOIMO-JHJVBQTASA-N 313.398 -0.783 30 20 DBED C=CCOCC(=O)N1CCCO[C@H](CNCc2nnnn2C)C1 1200108425 DQMGYPRBKMDRPF-GFCCVEGCSA-N 324.385 -0.880 30 20 DBED COc1ccc(C(=O)N2CCCO[C@@H](CNCC#N)C2)nn1 1201784341 GLSYRDPPRUQJHR-NSHDSACASA-N 305.338 -0.171 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)Cc2nonc2C)CC1 1203144129 XXHAHEWCIRGZME-UHFFFAOYSA-N 319.365 -0.749 30 20 DBED CC#CCN[C@@H]1C[C@@H](NC(=O)CS(=O)(=O)NC)C12CCC2 1203742045 LCISITNIFFASBD-VXGBXAGGSA-N 313.423 -0.424 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)c2[nH]cnc2C)CC1 1204140255 MLYHUVKKJFSBMJ-UHFFFAOYSA-N 303.366 -0.338 30 20 DBED C#CCCN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)c1nnc(O)nc1O)C2 1204528652 DKWGVMKKJLGOAL-GMTAPVOTSA-N 317.349 -0.111 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2COCCN2C)C1 1207830161 XKEIHSWBTIJUAE-KBPBESRZSA-N 324.425 -0.800 30 20 DBED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)c1cocc1C 1213289819 AKVXTJDKAQWXPS-CHWSQXEVSA-N 320.349 -0.343 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)COC[C@@H](C)N1CCCC1 1213455830 POHPWBORAODJJJ-RBSFLKMASA-N 324.425 -0.174 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C)C2)C[C@H]1C 1214757366 KJKVYRPIDXJZQS-JHJVBQTASA-N 322.409 -0.797 30 20 DBED Cc1cnn(C)c1C(=O)N1C[C@@H](NCC(=O)NCC#N)[C@H](C)C1 1215341645 FHJMXADVLQDOBB-VXGBXAGGSA-N 318.381 -0.582 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C[C@H]1C 1215358074 SJAWLPYXDDUXKF-DXUDUQDWSA-N 319.405 -0.547 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CCCn1cncn1 1218905336 RZZPCNGPOHLTTF-UONOGXRCSA-N 303.366 -0.397 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CN(CC(=O)NC2CCCCC2)C[C@@H]1O 1219366117 ROXPEXMBGBXHQH-BNOWGMLFSA-N 322.409 -0.244 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@H]2CC23CCCC3)C1 1220681725 NBHWIARIWXNYRO-MCIONIFRSA-N 319.405 -0.523 30 20 DBED C=CCOCCN1CC[C@@H]2CN(C(=O)Cn3cnnc3O)[C@@H]2C1 1221488787 YDYPNRLSFAURAQ-CHWSQXEVSA-N 321.381 -0.281 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCN1C 1231217217 PCZGCOOZHIHFKI-KGLIPLIRSA-N 306.410 -0.637 30 20 DBED C=CCCCNC(=O)C(=O)NC[C@H]1CC[C@H](C(=O)N(C)C)O1 1261136837 RKBYOCLKPJUOAC-VXGBXAGGSA-N 311.382 -0.179 30 20 DBED CN(C)C1(CNC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)CCCC1 1261461887 BEPULEGTMIORDN-INIZCTEOSA-N 322.409 -0.146 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)NC[C@H]1COC(C)(C)O1 1261961434 VHBWNAGYXAGIRU-RYUDHWBXSA-N 312.366 -0.201 30 20 DBED Cc1ncc(C(=O)N[C@@H]2CCN(CC(=O)NCC#N)C2)n1C 1266338764 CDSWEEMQNAVEFY-LLVKDONJSA-N 304.354 -0.828 30 20 DBED CS(=O)(=O)CCNC[C@H]1CCCN1C(=O)CSCC#N 1319048438 AVBUTBDSVATDTF-LLVKDONJSA-N 319.452 -0.132 30 20 DBED CN(C)C(=O)Cn1cc(C(=O)N[C@@]2(C#N)CCSC2)nn1 1321005494 MBDGDVXKZQHIJY-GFCCVEGCSA-N 308.367 -0.505 30 20 DBED Cc1cc(C)n(CCCNC(=O)C(=O)N2CCO[C@@H](C#N)C2)n1 1321887987 QSDDPVXONGEQNW-ZDUSSCGKSA-N 319.365 -0.243 30 20 DBED C[C@@H](CCN(C)C)NC(=O)C(=O)NC1CCN(CC#N)CC1 1321889675 RHXUUMFLHGXESW-LBPRGKRZSA-N 309.414 -0.453 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CC[C@@H](COC)C1 1323997673 MMICQBUDAMBQOO-LLVKDONJSA-N 318.395 -0.802 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N(C)CCCC(=O)NC)nn1 1326251170 UMEMKJLWRFFTKQ-UHFFFAOYSA-N 322.369 -0.935 30 20 DBED C=CCCn1cc(C(=O)N2CCC[C@@]3(C2)NC(=O)NC3=O)nn1 1326614141 ISXXJQMJTOHWJT-AWEZNQCLSA-N 318.337 -0.332 30 20 DBED C=CCOCCNC(=O)C(=O)N1CCC(NC(=O)OC)CC1 1330645495 OKUCPAWZVHUFOA-UHFFFAOYSA-N 313.354 -0.348 30 20 DBED COCCCN(CCOC)C(=O)C(=O)N1CCO[C@@H](C#N)C1 1331014676 XNADVXVHJFJDMR-LBPRGKRZSA-N 313.354 -0.751 30 20 DBED C#CCNC(=O)C1CCN(C(=O)C(=O)N[C@@H](C)COC)CC1 1333942550 PMYMNKMLLRRROO-NSHDSACASA-N 309.366 -0.875 30 20 DBED C=CCOCCn1nnnc1N1CCC(S(C)(=O)=O)CC1 1335852237 MPILXZAWNZNQAP-UHFFFAOYSA-N 315.399 -0.111 30 20 DBED C#CCN(CC)c1nnnn1C[C@@H]1CCN(S(C)(=O)=O)C1 1335888768 IAVLAKXOERGGRB-LLVKDONJSA-N 312.399 -0.586 30 20 DBED C[C@H](C#N)CN(C)C(=O)C(=O)Nc1cccc(S(N)(=O)=O)c1 1338641894 PKFFGHXXNSCLNI-SECBINFHSA-N 324.362 -0.109 30 20 DBED C[C@](C#N)(NC(=O)CN1CCC(OCC(N)=O)CC1)C1CC1 1340049447 UIWGLXNANDGRBI-OAHLLOKOSA-N 308.382 -0.239 30 20 DBED C=CCn1c([C@H](C)O)nnc1N1CCN(S(C)(=O)=O)CC1 1340309462 SYBHXFAHWXRGCI-JTQLQIEISA-N 315.399 -0.401 30 20 DBED CCC(CC)NC(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1342077404 VEGLKHZRWMEVSN-OUKQBFOZSA-N 322.365 -0.066 30 20 DBED C=CCCn1cc(C(=O)NC[C@@]2(O)CCS(=O)(=O)C2)nn1 1345619973 WNFBIAIDVWGQMK-LBPRGKRZSA-N 314.367 -0.866 30 20 DBED COCC#CC(=O)N(C)C[C@H](O)CNC(=O)OC(C)(C)C 1347794480 BSZMQYKUVUHDAS-LLVKDONJSA-N 300.355 -0.020 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N[C@@H](C)c1nnnn1C1CC1 1351771034 YDUQLAVBXCWPKQ-NSHDSACASA-N 314.349 -0.330 30 20 DBED C[C@@H]1OCCN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)[C@H]1C 1351771131 YTTKBVKGZIFXCY-OBJOEFQTSA-N 320.393 -0.179 30 20 DBED C=C[C@](C)(O)c1cn(CC(=O)N2CCN(C(C)=O)CC2)nn1 1352975827 GSIDPZNSGTYUIL-AWEZNQCLSA-N 307.354 -0.638 30 20 DBED COCC[C@@]1(NC(=O)Cn2cc(C#N)c(O)nc2=O)CCOC1 1362582060 JRMAZIQFGVPZOH-CQSZACIVSA-N 322.321 -0.868 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)NC[C@@H]1CCCN(C(N)=O)C1 1364874270 ZQBREFSTSIAATN-MNOVXSKESA-N 317.415 -0.297 30 20 DBED N#CC1CN(C(=O)C2CCN(c3ccc4nnnn4n3)CC2)C1 1412182206 VCYPKLUUXZYJBG-UHFFFAOYSA-N 312.337 -0.282 30 20 DBED C[C@H](C#N)C(=O)N(C)C1CCN(C(=O)[C@@H]2COC(=O)N2)CC1 1412278227 DVIRHRFVBOJBNK-KOLCDFICSA-N 308.338 -0.296 30 20 DBED N#Cc1cncn(CC(=O)CCNC(=O)C(F)(F)F)c1=O 1421408493 OYQBFWPPQMKZBA-UHFFFAOYSA-N 302.212 -0.247 30 20 DBED COCC(=O)N1CCN(S(=O)(=O)CC2(CC#N)CC2)CC1 1423599562 MDTTUKCMDWIWKU-UHFFFAOYSA-N 315.395 -0.199 30 20 DBED C[C@@H](CN(C)C(=O)COCc1nncn1C)NC(=O)[C@H](C)C#N 1427696988 NRDOYCGFUOSJRH-MNOVXSKESA-N 322.369 -0.546 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@@H]1CCN(C(=O)c2ccc(C(N)=O)[nH]2)C1 1429624995 YOCQRODJANTBBE-VHSXEESVSA-N 317.349 -0.054 30 20 DBED CCN(CCNC(=O)[C@@H](C)C#N)C(=O)c1ccc2nnnn2c1 1449505631 FLKVSQAHXZWAFM-JTQLQIEISA-N 315.337 -0.138 30 20 DBED CC(C)(CCS(=O)(=O)N1CCO[C@H](C#N)C1)S(C)(=O)=O 1463014251 AHWHXCLEFMNKQW-SNVBAGLBSA-N 324.424 -0.246 30 20 DBED CCNC(=O)NC(=O)[C@H](C)N[C@H]1C[C@H](CNC(=O)[C@@H](C)C#N)C1 1488815773 BEQFZFNBHVCYDC-BJDJZHNGSA-N 323.397 -0.135 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C)C(=O)C[C@H]1CCS(=O)(=O)C1 1496499091 ABTWLXSNZQIOBT-WDEREUQCSA-N 315.395 -0.455 30 20 DBED CCN(C(=O)CN1CCOCC1)[C@H]1CCN(C(=O)[C@H](C)C#N)C1 1498808407 CHCSQJBHQRIJIA-KGLIPLIRSA-N 322.409 -0.072 30 20 DBED C#CCNS(=O)(=O)N1CCN(Cc2cnc(N)s2)CC1 1574736118 NUGQEJXYSBSCMA-UHFFFAOYSA-N 315.424 -0.690 30 20 DBED C[C@@H]1CCN(c2cnc(-c3nn[nH]n3)c(C#N)n2)CC[S@]1=O 1576213566 CUFOFEHDXAMPSI-CWMRNNLJSA-N 318.366 -0.124 30 20 DBED Cn1nc(O)c2c1CN(c1cnc(-c3nn[nH]n3)c(C#N)n1)CC2 1581824381 PQXUCUKAJKNBNO-UHFFFAOYSA-N 324.308 -0.470 30 20 DBED N#Cc1ncc(N2CC[C@H](C3OCCO3)C2)nc1-c1nn[nH]n1 1581881939 FSVYWWLHQCWQOY-QMMMGPOBSA-N 314.309 -0.272 30 20 DBED CN(C[C@H](O)CNc1ncc(C(=O)O)cn1)C(=O)C#CC1CC1 1598435020 CIYQHRCVWLXTRC-GFCCVEGCSA-N 318.333 -0.181 30 20 DBED Cc1c(C#N)c(=O)n(CC(=O)CCC(=O)O)c(=O)n1C1CC1 1607504626 QMDNMPHISNUOEP-UHFFFAOYSA-N 305.290 -0.041 30 20 DBED COCC(=O)NC1CCN(S(=O)(=O)N(C)CCC#N)CC1 1647073719 FLPGFTHBORENOG-UHFFFAOYSA-N 318.399 -0.696 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](CNCC(=O)NC2CC2)C1 1752937850 CPLJBYHMTYWULL-ZDUSSCGKSA-N 307.394 -0.257 30 20 DBED C=CCCO[C@@H](C)C(=O)NCCN(C)[C@H]1CCC(=O)NC1=O 1753044786 FOTBKYNFOFUBJB-RYUDHWBXSA-N 311.382 -0.179 30 20 DBED C#CCN1CC[C@@H](CNC(=O)CCC(=O)N2CCOCC2)C1 1753139090 UCZJIPAGAKIFBH-AWEZNQCLSA-N 307.394 -0.303 30 20 DBED C#CCNC(=O)CN1CC(NC(=O)C[C@@H](C)c2cnn(C)c2)C1 1753382221 LXFDTKUXDZUZPZ-GFCCVEGCSA-N 317.393 -0.537 30 20 DBED CC[C@@H](CNC(=O)[C@H]1CCc2nncn2C1)NCC#CCOC 1753498170 VBEUBCUOKJCDBS-KBPBESRZSA-N 319.409 -0.025 30 20 DBED C#CCOCCC(=O)N(C)[C@@H](C)CN[C@@H](C)C(=O)NC(N)=O 1753690284 VGOVIJVBDNESEA-QWRGUYRKSA-N 312.370 -0.954 30 20 DBED COCC#CCNC[C@H](NC(=O)[C@H]1CN(C)C(=O)N1)C1CC1 1754448355 XSEBROOPKBOUTR-QWHCGFSZSA-N 308.382 -0.856 30 20 DBED N#CCNC(=O)CNC1(CNC(=O)CCn2cccc2)CC1 1754529906 BSSIITMODORKPV-UHFFFAOYSA-N 303.366 -0.244 30 20 DBED N#CCN1CC(O)(CNC(=O)[C@@H]2CCCN2C(=O)C2CC2)C1 1754776433 ZIJOPSNMBFZNQV-LBPRGKRZSA-N 306.366 -0.926 30 20 DBED C#CCNC(=O)CN1CCC[C@](CO)(NC(=O)C=C2CCC2)C1 1754854392 SBHYKKBTPDAKGB-KRWDZBQOSA-N 319.405 -0.211 30 20 DBED C#CCNC[C@H]1CC[C@H](NC(=O)CN2CCN(C)C(=O)C2)CC1 1754953987 TXGAKARGXBDVAB-SHTZXODSSA-N 320.437 -0.342 30 20 DBED C[C@H]1CN(C(=O)CNC(=O)c2ccccn2)C[C@@H]1NCC#N 1755123275 XYTJAVWRCMIGAN-AAEUAGOBSA-N 301.350 -0.229 30 20 DBED Cn1cncc1CN1CC(CCO)(NC(=O)CSCC#N)C1 1755330617 QXDHBAZCUYEABM-UHFFFAOYSA-N 323.422 -0.270 30 20 DBED CCOCCNC(=O)CN1C[C@@H]2C(CNC(=O)[C@H](C)C#N)[C@H]2C1 1755420463 MCILKJNJOWJFKU-MRVWCRGKSA-N 322.409 -0.407 30 20 DBED COCC#CCN1C[C@@H]2C(CNC(=O)c3nonc3C)[C@H]2C1 1755435144 AURLESBHNGUQIW-CHWSQXEVSA-N 304.350 -0.065 30 20 DBED Cn1ncc(C(=O)N2CCC3(CC2)CO[C@H](CNCC#N)C3)n1 1755463317 KSPOAZDWFSXUIB-LBPRGKRZSA-N 318.381 -0.060 30 20 DBED C[C@H]1C[C@@H](NCC(=O)NCC#N)CN1C(=O)c1cc[n+]([O-])cc1 1755670172 QCPOWIYDRMKAHT-WCQYABFASA-N 317.349 -0.848 30 20 DBED C#CCN(C)C[C@@H](O)CN(C)C(=O)[C@]1(CC(C)C)CCNC1=O 1755802159 QMDYNUVJUYGEPN-PBHICJAKSA-N 323.437 -0.077 30 20 DBED COCC#CCN(C)C[C@H](O)CN(C)C(=O)Cc1nonc1C 1755807267 RIAXORNZNCIYBZ-ZDUSSCGKSA-N 324.381 -0.679 30 20 DBED Cc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)C#CC(C)C)C2)nn1C 1756993928 WCKQILQMMZHIPM-ZIAGYGMSSA-N 318.377 -0.311 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1CN(C(=O)Cc2cncn2C)C[C@H]1O 1757021760 BGYPKCZKJRHBIU-CHWSQXEVSA-N 320.393 -0.137 30 20 DBED C=CCCCC(=O)N[C@@H]1CN(C(=O)C(=O)NCC2CC2)C[C@H]1O 1757028475 GFBDXHHRVQSCRH-CHWSQXEVSA-N 323.393 -0.443 30 20 DBED C=CCOCC(=O)N1C[C@H]2CCN(C(=O)c3nnn(C)n3)C[C@H]21 1757223262 XTLZJUBANFEHHL-GHMZBOCLSA-N 320.353 -0.914 30 20 DBED N#CC1(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@@H](N)CN)C3)CCC1 1804114112 QORGZMVTBQGZBS-RNJOBUHISA-N 319.409 -0.396 30 20 DBED CC(C)[C@H](S)C(=O)N1CC2(CCCN2C(=O)C(O)O)C1 1841234249 IKEPEKKMXBOYJL-VIFPVBQESA-N 302.396 -0.545 30 20 DBED C=CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CNC(C)=O 1847811095 GJUPZIGESXBULD-XBFCOCLRSA-N 323.393 -0.085 30 20 DBED C[C@H](C(=O)N(C)CCC#N)N1CCC[C@H](NS(C)(=O)=O)C1 52670521 CLSIYUIHXMEPSE-NEPJUHHUSA-N 316.427 -0.239 30 20 DBED C#C[C@@H](OC(=O)CCc1nc2c([nH]1)c(=O)[nH]c(=O)n2C)C1CC1 89491262 CWVRLZQVKJLSLD-SECBINFHSA-N 316.317 -0.163 30 20 DBED C/N=C(/NC[C@@H]1CCS(=O)(=O)C1)N[C@H]1CCN(C2CC2)C1 262452859 WGSPXMFNPYDLBA-RYUDHWBXSA-N 314.455 -0.177 30 20 DBED COC[C@@](C)(C#N)NC(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1 269506677 CCMJMBSWCNETTF-WCQYABFASA-N 324.362 -0.239 30 20 DBED Cn1cc(S(=O)(=O)N2CCSC[C@@H]2C#N)cc1C(N)=O 271737495 VPFWOHWJFAGBGH-QMMMGPOBSA-N 314.392 -0.246 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N1CC(=O)N(CCOC)C1 282633411 DMWFCDTZRGCPRZ-UHFFFAOYSA-N 319.383 -0.955 30 20 DBED C=CCNC(=O)CNC(=O)N1CC[C@@H](C(=O)N2CCCC2)C1 286623958 CYBXQWRRZZVILF-GFCCVEGCSA-N 308.382 -0.058 30 20 DBED C[C@@H](CN1CCOCC1)/N=C(/O)N1CCS(=O)(=O)CC1 328888103 PIHWMJVXXPEXAW-NSHDSACASA-N 305.400 -0.649 30 20 DBED C=CCN1CCC(/N=C(/O)N2CC[C@H](S(N)(=O)=O)C2)CC1 331043973 FMABIYKYOYCENM-LBPRGKRZSA-N 316.427 -0.086 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H](C(=O)OC)[C@H](C)O 336930665 BCSJTKXBSKMJHB-KXUCPTDWSA-N 307.372 -0.775 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)CN(C)CC(=O)NC(C)C)C1=O 337076235 QUCWDKPFIBOZAN-ZDUSSCGKSA-N 324.425 -0.312 30 20 DBED COC(=O)CCN1CCN(C(=O)Cn2cnc(C#N)n2)[C@@H](C)C1 343067488 APFMCGKPPOMBEG-NSHDSACASA-N 320.353 -0.754 30 20 DBED Cc1ncc(CNc2c(C#N)c(=O)n(C)c(=O)n2C)c(O)n1 343602766 LWUZOTZSVNTIMO-UHFFFAOYSA-N 302.294 -0.628 30 20 DBED C=CCCOCCNC(=O)C1CCN(S(=O)(=O)NC)CC1 354324907 RYHOWJPNHCCWLK-UHFFFAOYSA-N 319.427 -0.129 30 20 DBED C[C@H]1CCN(C(=O)C(=O)Nc2ccn(CCC#N)n2)C[C@@H]1O 357726153 CBLSBKPVKHMDGS-QWRGUYRKSA-N 305.338 -0.035 30 20 DBED CS(=O)(=O)C1(CNC(=O)N2CCO[C@H](C#N)C2)CCC1 408306882 RFNPOUOBCMXZOL-SNVBAGLBSA-N 301.368 -0.112 30 20 DBED CCNC(=O)[C@@H](NS(=O)(=O)N1CCO[C@@H](C#N)C1)C(C)C 432300408 ILUNOYUJSMAGDM-QWRGUYRKSA-N 318.399 -0.794 30 20 DBED CO[C@@H]1COCC[C@H]1CNc1c(C#N)c(=O)n(C)c(=O)n1C 450699426 XWRUAXVPMXDHEB-GXSJLCMTSA-N 308.338 -0.581 30 20 DBED N#CC1(CS(=O)(=O)N2CC[S@](=O)C[C@@H]2C(=O)O)CC1 562322487 SDNQSNDQVNSBST-CVJBHZAOSA-N 306.365 -0.863 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N[C@H](C(=O)O)[C@@H]1CCOC1 563227863 YWRFSAPHUXDWRJ-BBBLOLIVSA-N 305.356 -0.456 30 20 DBED COC(=O)c1cncc(S(=O)(=O)N2CCN(CC#N)CC2)c1 568944553 QLEZXXLIDVTHKG-UHFFFAOYSA-N 324.362 -0.302 30 20 DBED Cc1cc(C(=O)NCCn2cnc(C#N)n2)ccc1-n1cnnn1 588019909 FLZCVHHFSCFVHV-UHFFFAOYSA-N 323.320 -0.136 30 20 DBED N#CCNC(=O)CNC(=O)Nc1ccc(OCCC(N)=O)cc1 588245630 HKDLZDUKRONDBU-UHFFFAOYSA-N 319.321 -0.298 30 20 DBED C[C@@H](CO)C1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 593644036 LISASQUYKNEZIN-AAEUAGOBSA-N 317.411 -0.204 30 20 DBED C=CCOC[C@H](NC(=O)[C@H]1CCCS(=O)(=O)C1)C(=O)OC 593678656 RYPCFTUPSDSQHO-QWRGUYRKSA-N 319.379 -0.328 30 20 DBED CN1CC[C@@H](n2cc(CN(C)c3cnc(C#N)cn3)nn2)C1=O 594652637 VAZJWOCMNRZNIU-GFCCVEGCSA-N 312.337 -0.021 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N[C@@H]1CCCN(CCCO)C1 594777161 LYTYTXYMTIBFEP-QWHCGFSZSA-N 318.443 -0.241 30 20 DBED N#C[C@H]1CN(c2ncnc(N3CCOCC3)c2[N+](=O)[O-])CCO1 598595467 UBNFRINOUWYABE-JTQLQIEISA-N 320.309 -0.050 30 20 DBED C[C@H](C(=O)N(C)C)S(=O)(=O)N1CCN(CCC#N)CC1 601535502 AWPZMBDWHBUSLR-LLVKDONJSA-N 302.400 -0.676 30 20 DBED C=CCNS(=O)(=O)c1ccccc1N1C[C@@H](O)[C@@H](CO)C1 641629176 WYRYWCHJQGNXIU-DGCLKSJQSA-N 312.391 -0.060 30 20 DBED C=C[C@@H]1OCC[C@H]1NC(=O)N1CCN(S(=O)(=O)NC)CC1 665028958 MPQREPGHUMLIDB-MNOVXSKESA-N 318.399 -0.879 30 20 DBED C#CCN1CCN(C(=O)CN2CCO[C@@H]([C@H]3CCCO3)C2)CC1 756898526 NQOJKBDIRGEGNB-HZPDHXFCSA-N 321.421 -0.356 30 20 DBED Cc1cc(-c2nnc(SCC(=O)NCCC#N)n2N)n[nH]1 768442250 ZUAFZYJGRJPACP-UHFFFAOYSA-N 306.355 -0.188 30 20 DBED CC(=O)N1CCN(CCNS(=O)(=O)CC(C)(C)C#N)CC1 777817320 HNMNZZNHIDSAMI-UHFFFAOYSA-N 316.427 -0.380 30 20 DBED N#CCNC(=O)COC(=O)[C@H]1CCCN1C(=O)C(F)(F)F 786573605 UTEUPNABUHEACK-SSDOTTSWSA-N 307.228 -0.277 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)C1(S(C)(=O)=O)CC1 795877127 VSAOPNWFDUDXOB-MRVPVSSYSA-N 318.351 -0.493 30 20 DBED CCCc1nnc(SCC(=O)N2CCOC[C@H]2C#N)n1N 813463679 UPBQOXUSBGGJGV-SECBINFHSA-N 310.383 -0.213 30 20 DBED N#CCNS(=O)(=O)CCCS(=O)(=O)N[C@@H]1C=CCC1 852903893 CVJQVXYIYHQTGL-SNVBAGLBSA-N 307.397 -0.543 30 20 DBED C#C[C@H](NC(=O)C(=O)NC[C@@H]1C[C@@H]2CC[C@H](C1)N2)[C@H]1CCCO1 884553302 VAGGBFSUKLRHJY-AIEDFZFUSA-N 319.405 -0.070 30 20 DBED COC(=O)c1c(S(=O)(=O)N=c2cc[nH]c(C#N)c2)n[nH]c1C 912562574 JMHOAPSNIQTBEL-UHFFFAOYSA-N 321.318 -0.006 30 20 DBED CC1=C(C(=O)NCC#CCN(C)C)[C@@H](C)n2nnnc2N1C 913523382 YCWTZPOTOKOVDB-LLVKDONJSA-N 303.370 -0.361 30 20 DBED CN(C(=O)COC(=O)CN(C)S(C)(=O)=O)C(C)(C)C#N 914923781 PCLFVNJNQZAIRG-UHFFFAOYSA-N 305.356 -0.818 30 20 DBED C[C@H](C#N)C(=O)N1CCCN(C(=O)CN2CCCNC2=O)CC1 941578879 APKBKWLLVGCMEI-GFCCVEGCSA-N 321.381 -0.378 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](NC(=O)c2cn(C)ccc2=O)C1 941821425 KBSZXDOLRYFUKV-WDEREUQCSA-N 302.334 -0.124 30 20 DBED C=CCN1CC[C@H](NC(=O)CN2CCN(C)C(=O)C2)C[C@H]1C 947463415 HAWJOIOGNDJALK-KGLIPLIRSA-N 308.426 -0.085 30 20 DBED CC#CCN1C[C@H](CNC(=O)c2ccc(C(N)=O)s2)[C@@H](O)C1 958477313 XSMMSYURFJNIGN-QWRGUYRKSA-N 321.402 -0.107 30 20 DBED CC#CCN1C[C@H](CNC(=O)c2ccc(C(N)=O)cc2)[C@@H](O)C1 958658065 TXKSPCJRZDNKDZ-GJZGRUSLSA-N 315.373 -0.169 30 20 DBED C#CCN1C[C@H]2[C@H](NC(=O)c3ccc(-n4cnnn4)cn3)[C@H]2C1 961355405 GYEBJRLTJOIOPV-IMRBUKKESA-N 309.333 -0.650 30 20 DBED C=CCN1C[C@H]2[C@H](NC(=O)[C@H]3C[C@H](OC)CN3C(C)=O)[C@H]2C1 961360768 SKOKTJMHZBIGDN-VQJWOFKYSA-N 307.394 -0.145 30 20 DBED COc1ccc(CN2C[C@H]3C(NC(=O)C(N)=O)[C@@H]3C2)cc1C#N 961641485 RJYKFCUIWMIDFZ-VXGBXAGGSA-N 314.345 -0.401 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CN(C(=O)[C@]3(C)CCNC3=O)C[C@H]2C1 962261470 YRYLUMHIDZWNDJ-PVTKRXDGSA-N 318.377 -0.411 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H](NC(=O)c2nnn(C)n2)CC1 965093775 DVGKCMYUTKUHOW-NXEZZACHSA-N 305.342 -0.519 30 20 DBED CCN(C(=O)c1cc(C(N)=O)c[nH]1)C1CN(C(=O)[C@H](C)C#N)C1 968285527 OQMHVJOGBZZQBI-SECBINFHSA-N 317.349 -0.054 30 20 DBED C[C@H](NC(=O)c1cn(C[C@H]2CCOC2)nn1)C1CN(CC#N)C1 970661438 AVVOTXGHNZIDPB-NWDGAFQWSA-N 318.381 -0.112 30 20 DBED C=CCN1C[C@H]2C[C@@H](NC(=O)CN3CCNC(=O)C3)CC[C@H]2C1 980151181 FPDZVDJINWCTPU-ZNMIVQPWSA-N 320.437 -0.179 30 20 DBED Cn1ncc(C(=O)NC[C@H]2CCN(C(=O)C#CC3CC3)C2)c1N 982742915 UJHWRPIUJGJQQM-GFCCVEGCSA-N 315.377 -0.006 30 20 DBED C#Cc1ccc(C(=O)N2CC(NC(=O)[C@H]3CCC(=O)N3)C2)cn1 990485861 RMSARIVAGQBFEC-CYBMUJFWSA-N 312.329 -0.718 30 20 DBED N#Cc1ccc(C(=O)NC2CN(C(=O)c3cnsn3)C2)[nH]1 990887540 DTNRBBSTNOMIDL-UHFFFAOYSA-N 302.319 -0.008 30 20 DBED C#CCN[C@H]1CN(C(=O)Cn2ccc(=O)n(C)c2=O)CC1(C)C 995880346 JSWPZZNFEFYVKY-LBPRGKRZSA-N 318.377 -0.993 30 20 DBED C=CCn1cc(C(=O)N(C)C2CCN(CC(N)=O)CC2)nn1 1006101243 DHYFTDJYQPDWDM-UHFFFAOYSA-N 306.370 -0.514 30 20 DBED C[C@@H]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)CN1C(=O)CC(N)=O 1012408164 OBMANQZBESQAHE-PSASIEDQSA-N 303.322 -0.519 30 20 DBED C[C@H]1[C@H](NC(=O)Cn2ncnn2)CCCN1C(=O)C#CC1CC1 1014962888 NQHFODMYNCYXEB-WCQYABFASA-N 316.365 -0.418 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2nc(O)nc(O)c2OC)C1 1015988996 JNCRUUYFVFVVPM-VIFPVBQESA-N 306.322 -0.276 30 20 DBED Cn1cnc(C(=O)N[C@H]2CC23CCN(CC#N)CC3)cc1=O 1016670320 QCFOFQAMKVHSCC-LBPRGKRZSA-N 301.350 -0.112 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@@H]2OCCN(C(=O)C(N)=O)[C@H]2C1 1019908699 UCEZKILHAFROBH-QWRGUYRKSA-N 309.366 -0.488 30 20 DBED N#Cc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCOC3)C2)c[nH]1 1023157814 PNYGWGQCRDHKPL-OASPWFOLSA-N 318.333 -0.776 30 20 DBED N#CCN1CCC[C@@H](CNC(=O)c2cnn3c(=O)cc[nH]c23)C1 1023636789 UEQAOTQVWALZAJ-NSHDSACASA-N 314.349 -0.012 30 20 DBED C#CCN1CC[C@H](CNC(=O)c2cn([C@@H]3CCOC3)nn2)C1 1028917983 VWDAIDBMTBAVJU-CHWSQXEVSA-N 303.366 -0.076 30 20 DBED Cn1nnc2c1C[C@@H](C(=O)N1C[C@@H]3C[C@H]1CN3CC#N)CC2 1032589625 CSYKWLWXKRWRGW-SRVKXCTJSA-N 300.366 -0.271 30 20 DBED C=CCCN1CCO[C@@H](CNC(=O)c2cn(C)c(=O)cn2)C1 1035449949 MQMMKXGAGUXBSP-LBPRGKRZSA-N 306.366 -0.213 30 20 DBED C#CCN1CCO[C@H](CNC(=O)c2cnn3c(=O)cc[nH]c23)C1 1035535534 HUFDIBBRJQHLBS-LLVKDONJSA-N 315.333 -0.914 30 20 DBED C[C@H]1CN(C(=O)CN2CCC(=O)NC2=O)CC[C@H]1NCC#N 1036263126 LUVIPSQTSSXCQQ-WDEREUQCSA-N 307.354 -0.722 30 20 DBED C#CCN1CC[C@H]2CN(C(=O)CN3C(=O)CCC3=O)CC[C@@H]21 1036890126 NLCTUXJXUBDWRP-STQMWFEESA-N 303.362 -0.309 30 20 DBED C#CCN[C@H]1CCN(C(=O)c2cn(C)c(=O)nc2O)C[C@H]1CC 1037975769 VWRGENFJJLLRFF-YPMHNXCESA-N 318.377 -0.051 30 20 DBED CCC(=O)NCC(=O)N1CC[C@](O)(CNC(=O)C#CC(C)C)C1 1039663342 DEOHFAYYOZCSEN-INIZCTEOSA-N 323.393 -0.748 30 20 DBED CN1CC[C@H](C(=O)N2CC[C@](O)(CNC(=O)C#CC3CC3)C2)C1 1039688097 ADWPRNJARYEAFF-YOEHRIQHSA-N 319.405 -0.569 30 20 DBED Cn1ccc(C(=O)N[C@@H]2CN(c3ncccc3C#N)C[C@H]2O)n1 1041053049 LPEARHOISPAOAC-CHWSQXEVSA-N 312.333 -0.334 30 20 DBED Cc1nonc1C(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1O 1041078758 JIBHAQVSTNSSTB-NXEZZACHSA-N 315.293 -0.981 30 20 DBED CC(C)OCC(=O)N1CC(O)(CNC(=O)CSCC#N)C1 1041568666 NMBKMBIFFGTNIC-UHFFFAOYSA-N 315.395 -0.642 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(O)(CNC(=O)[C@@H](C)SC)C1 1041616511 JGXLJDIBZAHHKW-MFKMUULPSA-N 316.423 -0.246 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)c2ccsn2)C1 1043588756 IYEVMPWQWCYJNI-SNVBAGLBSA-N 323.374 -0.516 30 20 DBED C=C(C)CCC(=O)N1CC(O)(CNC(=O)c2cnc(O)n2C)C1 1044465096 XHALQJWGCQZDCU-UHFFFAOYSA-N 322.365 -0.215 30 20 DBED N#CCSCC(=O)N1CC(O)(CNC(=O)CCCF)C1 1044842400 QRSBBYQZSMIPIS-UHFFFAOYSA-N 303.359 -0.318 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)C[C@](C)(O)C2CC2)C1 1045541220 RKJFUHCPHIKXQH-HZMBPMFUSA-N 309.366 -0.613 30 20 DBED C=CCCC1(C(=O)NCC2(O)CN(C(=O)CC(N)=O)C2)CC1 1045773124 WQZJCAIJVWBSQE-UHFFFAOYSA-N 309.366 -0.702 30 20 DBED C=CCN1CC[C@H](N2CCN(C(=O)[C@H]3CCC(=O)NC3)CC2)C1 1046043032 RTZMZLCGFRHLFZ-GJZGRUSLSA-N 320.437 -0.083 30 20 DBED CN1CC[C@@H](C(=O)N2CCN([C@H]3CCN(CC#N)C3)CC2)C1 1046082917 YCJRNGFMDHNSTE-CABCVRRESA-N 305.426 -0.320 30 20 DBED N#Cc1ccc(N[C@H]2C[C@@H](CNC(=O)[C@H]3CNC(=O)N3)C2)cn1 1046561782 AZRVWLXPMOAZMO-JIMOISOXSA-N 314.349 -0.059 30 20 DBED C=C[C@@H](C)[C@@H](C)C(=O)N1CC(O)(CNC(=O)Cc2nc[nH]n2)C1 1046910312 XMCYAVOGOXYLGG-GHMZBOCLSA-N 321.381 -0.505 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H]1CN(CCCO)C[C@@H]1O 1047385505 PIXRYUKPXUQTNW-QPSCCSFWSA-N 312.410 -0.147 30 20 DBED NC(=O)CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C#CC1CC1)C2 1047417709 YVWKGSZZBGTASL-AVGNSLFASA-N 303.362 -0.229 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]nc2[C@@H]2CCOC2)C1 1047471984 UXMHRMYYVRJPER-XBFCOCLRSA-N 318.377 -0.336 30 20 DBED CN(C)c1ccncc1C(=O)N(C)[C@H]1CN(CC#N)C[C@@H]1O 1047600584 SYPBBSGMIBHAGI-KBPBESRZSA-N 303.366 -0.212 30 20 DBED C#CCCCC(=O)N(C)[C@H]1CN(C(=O)c2cn(C)cn2)C[C@@H]1O 1048750056 JQEPPRMCGYYARG-KBPBESRZSA-N 318.377 -0.133 30 20 DBED CN(C(=O)C#CC1CC1)[C@H]1CN(C(=O)c2cn(C)cn2)C[C@@H]1O 1048821534 QHEQFGVZHZXRPR-KBPBESRZSA-N 316.361 -0.523 30 20 DBED Cc1cc(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)C#N)C2)cnn1 1049395275 RVPGOIVLPGJSFD-XDTLVQLUSA-N 317.349 -0.412 30 20 DBED C#CCCN1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1ncn(C)c1=O 1049560305 CPOBDQJGLNYKBC-KBPBESRZSA-N 317.393 -0.330 30 20 DBED C=CCOCC(=O)N1CC[C@H]([C@@H](C)NC(=O)Cn2cncn2)C1 1050313544 OJNYVEHEJYOYCQ-OLZOCXBDSA-N 321.381 -0.166 30 20 DBED C[C@H](NC(=O)C#CC1CC1)[C@@H]1CCN(C(=O)CCNC(N)=O)C1 1050702926 CMRCYMRZLAGSHD-WCQYABFASA-N 320.393 -0.189 30 20 DBED C#CCOCCC(=O)N[C@H](C)[C@@H]1CCN(C(=O)c2cnn[nH]2)C1 1051127397 BBUPLYCJSIFSJA-VXGBXAGGSA-N 319.365 -0.189 30 20 DBED C#CCCN1CCOC[C@@H]1CNC(=O)c1c[nH]c(C(N)=O)c1 1051244427 CBRYQAKGYQLLSQ-LBPRGKRZSA-N 304.350 -0.433 30 20 DBED COc1ncc(C(=O)NC[C@@H]2CCC3(CN(CC#N)C3)O2)cn1 1053683527 SIEUILSPFVMKJQ-LBPRGKRZSA-N 317.349 -0.028 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)C[C@H]3CCC(=O)NC3)CO2)C1 1053827715 HFJIRNJHDMMKQZ-KGLIPLIRSA-N 319.405 -0.115 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)c3cn(C)nc3COC)CO2)C1 1053851688 YFEKJPJNMWSWQF-LBPRGKRZSA-N 318.377 -0.227 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)[C@H]3CCN(C)C3=O)CO2)C1 1053893135 KWVQRSBQYUKDJR-QWHCGFSZSA-N 305.378 -0.553 30 20 DBED CC#CCCCC(=O)N1C[C@H]2CN(C(=O)CNC(N)=O)C[C@H]2C1 1055154999 NLQPYJSMWJMALE-BETUJISGSA-N 320.393 -0.235 30 20 DBED N#Cc1nccnc1N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cc1nc[nH]n1 1055385655 VNPDSEBUHRWMJK-FOGDFJRCSA-N 324.348 -0.065 30 20 DBED Cc1cc(C#N)nc(N2CCN(C(=O)[C@@H]3COC(=O)N3)CC2)n1 1055785694 NLKOPMPZPLADCS-NSHDSACASA-N 316.321 -0.586 30 20 DBED N#Cc1cnccc1N1CCN(C(=O)c2c[nH]c(=O)cn2)CC1 1055989718 CEQGXYUPGNZPEZ-UHFFFAOYSA-N 310.317 -0.001 30 20 DBED C[C@@H](C#N)C(=O)N[C@]1(CO)CCCN(C(=O)c2cn(C)nn2)C1 1056094688 VVEXTZYKIVUYJP-IINYFYTJSA-N 320.353 -0.942 30 20 DBED N#Cc1ccc(N2C[C@@H]3C(NC(=O)Cc4cc[nH]n4)[C@H]3C2)nn1 1056161083 CXJBYRRNIQMMCT-RYUDHWBXSA-N 309.333 -0.135 30 20 DBED Cc1nc(CC(=O)N[C@H]2[C@@H]3CN(c4ccnc(C#N)n4)C[C@@H]32)n[nH]1 1056203951 QIHUVGDXXSCNCE-RTUWITSCSA-N 324.348 -0.432 30 20 DBED N#Cc1nccnc1N[C@@H]1CCN(C(=O)C2CS(=O)(=O)C2)C1 1056709709 YOCGJCPZOOHFRN-SNVBAGLBSA-N 321.362 -0.594 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)NCCN(CCO)C(=O)CC 1056746486 HYVDDYSLWFPILS-CYBMUJFWSA-N 313.398 -0.196 30 20 DBED C=CCCOCC(=O)NCCN(CCO)C(=O)c1cnccn1 1056837124 SSKWAVPNFIBQAV-UHFFFAOYSA-N 322.365 -0.380 30 20 DBED C=CCCOCC(=O)NCCN(CCO)C(=O)[C@@H](C)COC 1057192679 YHNGBTLOHKDQDG-ZDUSSCGKSA-N 316.398 -0.201 30 20 DBED C[C@H]1CN(C)C[C@H]1C(=O)NCCN(CCO)C(=O)C#CC1CC1 1057535578 BXJWZYPYUJCKHR-DZGCQCFKSA-N 321.421 -0.465 30 20 DBED Cn1ccc(C(=O)NCCN(CCO)C(=O)C#CC2CC2)n1 1057536407 WORYDPKYNKZBEZ-UHFFFAOYSA-N 304.350 -0.616 30 20 DBED C[C@@H](C(=O)NCCN(CCO)C(=O)[C@H](C)C#N)n1cccn1 1058653037 KXUAQQPXMQZEBF-NEPJUHHUSA-N 307.354 -0.459 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)[C@@H]1CCCCC(=O)N1 1058656642 HRKMBFUFRSWWHF-RYUDHWBXSA-N 324.381 -0.858 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)CN1CCC(C)(C)C1 1058658686 JGRQOFWLXRAESN-CYBMUJFWSA-N 324.425 -0.185 30 20 DBED N#Cc1nc(=N[C@H]2CCN(C(=O)[C@@]3(F)CCOC3)C2)cc[nH]1 1059041554 SHPLMHAISKMVTN-IINYFYTJSA-N 305.313 -0.088 30 20 DBED CN1CCO[C@H](C(=O)N[C@H]2C[C@H](Nc3nccnc3C#N)C2)C1 1059170613 IUIZJRRVMIHMHQ-GVXVVHGQSA-N 316.365 -0.262 30 20 DBED N#Cc1nccnc1N[C@@H]1CC[C@@H]2CN(C(=O)C(N)=O)C[C@@H]21 1060554604 ZGTCVSRDMAJUOR-KXUCPTDWSA-N 300.322 -0.518 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H]1CCN(C(=O)Cn2ncnn2)C1 1060928592 YNMDKYPBYZVUEP-LLVKDONJSA-N 312.337 -0.678 30 20 DBED C=CCO[C@H](C)C(=O)N1CC2(CCN(C(=O)C(N)=O)CC2)C1 1061036744 AOIFYQCTXJJTGU-LLVKDONJSA-N 309.366 -0.486 30 20 DBED CC#CCCCC(=O)N1CCOC[C@H]1CNC(=O)c1cnn[nH]1 1061697023 ILTPJPONFTZPPP-GFCCVEGCSA-N 319.365 -0.045 30 20 DBED C[C@@H](N=c1cc[nH]c(C#N)n1)C1CCN(C(=O)CC(N)=O)CC1 1061831891 OSUFNABCFRYRSH-SNVBAGLBSA-N 316.365 -0.315 30 20 DBED C=CCCCC(=O)N1CCOC[C@@H]1CNC(=O)[C@H]1C[C@H]1C(N)=O 1061906006 OMGHERMETDHKMU-XQQFMLRXSA-N 323.393 -0.192 30 20 DBED C#CCO[C@H](C)C(=O)NC1(CNC(=O)[C@H]2CCC(=O)N2)CCC1 1062708000 ZTKWIZVRSVHZNX-VXGBXAGGSA-N 321.377 -0.542 30 20 DBED CN(C(=O)c1ncn(C)n1)[C@@H]1CCN(c2cnc(C#N)cn2)C1 1062926463 CHLNLKDMWRTLQI-LLVKDONJSA-N 312.337 -0.172 30 20 DBED C#CCO[C@H](C)C(=O)NC1(CNC(=O)CCCC(N)=O)CCC1 1063514989 OREMGAUNNWIHAK-GFCCVEGCSA-N 323.393 -0.165 30 20 DBED C#CCCCC(=O)NC1(CNC(=O)[C@@H]2CN(C)C(=O)N2)CCC1 1063915316 OTZANLYZJSYTMG-LBPRGKRZSA-N 320.393 -0.031 30 20 DBED N#Cc1nccnc1NC[C@@H]1CCCN1C(=O)[C@H]1COC(=O)N1 1064901719 GUXHFLVENNJEDK-GXSJLCMTSA-N 316.321 -0.140 30 20 DBED Cn1nnc(C(=O)N[C@@]2(C)CCN(c3ncccc3C#N)C2)n1 1065317105 VFIQNYCLWLUVJR-AWEZNQCLSA-N 312.337 -0.124 30 20 DBED Cc1cncn1CC(=O)N1CCO[C@H](CNC(=O)[C@H](C)C#N)C1 1065350559 HLIHTDKIGFSEIR-DGCLKSJQSA-N 319.365 -0.305 30 20 DBED CC(C)C#CC(=O)N1CCC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)CC1 1066459409 ZZVQMOKGHFFSKS-OLZOCXBDSA-N 320.393 -0.176 30 20 DBED C[C@H](Nc1ncccc1C#N)[C@@H]1CN(C(=O)CC(N)=O)CCO1 1068228164 WFRFSTLFGJEMAA-JQWIXIFHSA-N 317.349 -0.144 30 20 DBED C[C@@H]1C[C@H](CNc2nccnc2C#N)CN1C(=O)CC(N)=O 1068303425 PLTIDMUBQZMRAT-NXEZZACHSA-N 302.338 -0.127 30 20 DBED C=CCCC(=O)N1CC2(C1)CN(C(=O)[C@H]1COCCO1)CCO2 1068313273 FCOSUQLVVSNQFJ-CYBMUJFWSA-N 324.377 -0.192 30 20 DBED C=C(C)C(C)(C)C(=O)NCC1(NC(=O)C(N)=O)CCOCC1 1070229610 BEMCMJQDEADWQC-UHFFFAOYSA-N 311.382 -0.144 30 20 DBED C=CCOCC(=O)N1CCC[C@@H](NC(=O)[C@H]2CCC(=O)N2)C1 1070553387 MWKUHVQBBVZHIQ-VXGBXAGGSA-N 309.366 -0.425 30 20 DBED C=CCOCC(=O)N1CCC[C@@H](NC(=O)CNC(=O)C2CC2)C1 1070553583 WOCJASKAAQDQSW-CYBMUJFWSA-N 323.393 -0.178 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CCCN(C(=O)CC(=O)N(C)C)C1 1070752194 HBLLKFIDALYLAK-CHWSQXEVSA-N 323.393 -0.390 30 20 DBED CN1CCC[C@H]1C(=O)N1C[C@@H]2C[C@@H]3CN(CC#N)C[C@]2(C1)O3 1070775250 YNKNPTXHSQMDIA-KNCOVGOOSA-N 304.394 -0.094 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)Cc2ccc[nH]2)CC1 1071022221 ZUZBXLKSCIJZLX-UHFFFAOYSA-N 302.378 -0.159 30 20 DBED N#CCSCC(=O)N[C@@H]1CCCN(C(=O)c2nc[nH]n2)C1 1071096011 CSIDQFMFHKRFBO-SECBINFHSA-N 308.367 -0.218 30 20 DBED C[C@@H]1CN(C(=O)c2nccnc2N)C[C@]2(CCN(CC#N)C2)O1 1071145982 DWIQWQLDUMLJLJ-IAQYHMDHSA-N 316.365 -0.112 30 20 DBED C[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1NC(=O)C#CC(C)(C)C 1072166128 XLSAUOOEOMGORL-VXGBXAGGSA-N 318.381 -0.314 30 20 DBED N#CCN1CCCO[C@@H](CNC(=O)c2ccc3nnnn3c2)C1 1073696811 PHNVLZMVJXNUHO-LBPRGKRZSA-N 315.337 -0.531 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)c2ccc(OC)nn2)C1 1073845509 QUZIBLYTRVMSOW-GFCCVEGCSA-N 304.350 -0.061 30 20 DBED C[C@H]1CN(C(=O)Cn2ncnn2)CC[C@@H]1NC(=O)C#CC1CC1 1073949421 QSYQJCHFXZNBIU-AAEUAGOBSA-N 316.365 -0.560 30 20 DBED C#CCCCC(=O)N[C@H]1CCN(C(=O)CNC(N)=O)[C@@H](C)C1 1074960452 KURLAXDGCVXVFF-RYUDHWBXSA-N 308.382 -0.046 30 20 DBED C#CCCCC(=O)N1CC[C@@H](NC(=O)Cn2ncnn2)C[C@H]1C 1075003443 DCPIOKQXGYOVME-CHWSQXEVSA-N 318.381 -0.028 30 20 DBED C[C@@H](CCNC(=O)c1cc(C#N)c[nH]1)NC(=O)Cn1ncnn1 1076074081 MFLCLSHLQNDHDT-VIFPVBQESA-N 316.325 -0.802 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H](C)CCNC(=O)c1cnn(C)c1N 1076239733 SQOIEDHWVCPFKY-QWRGUYRKSA-N 321.381 -0.335 30 20 DBED C#CCOCCC(=O)NCC[C@H](C)NC(=O)c1c[nH]c(=O)cn1 1076505195 LDMNMJKGBLMKCV-NSHDSACASA-N 320.349 -0.566 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2cnn(-c3nccs3)c2)C1 1077977687 KLYXNQTXZAENRI-GHMZBOCLSA-N 318.362 -0.373 30 20 DBED C#CCC1(C(=O)N[C@@H](C)CCNC(=O)C(N)=O)CCOCC1 1078118269 LQQMMUFBXHNPKB-NSHDSACASA-N 309.366 -0.697 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2ccc3c(c2)OCCO3)C1 1078168956 VLULJYBFFLCVIL-VXGBXAGGSA-N 303.318 -0.244 30 20 DBED C=CCOCC(=O)NC1(CO)CCN(C(=O)c2cnco2)CC1 1080775219 XVYDAPMSFXNKDQ-UHFFFAOYSA-N 323.349 -0.040 30 20 DBED CCC(=O)NCC(=O)NC[C@H]1CN(C(=O)C#CC(C)C)C[C@@H]1O 1081349904 VTUSYZVAEYNZMM-STQMWFEESA-N 323.393 -0.893 30 20 DBED C#CCCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)Cc2cnoc2)C1 1081676503 DXGLIOVIUHCYQR-UONOGXRCSA-N 319.361 -0.044 30 20 DBED C=CCCCC(=O)NC[C@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1O 1081703425 QFSBNRWGJFOPQU-WCQYABFASA-N 321.381 -0.280 30 20 DBED C=CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CN1CCC(=O)NC1=O 1083242390 FOIIXXSFWQCIOZ-NWDGAFQWSA-N 322.365 -0.974 30 20 DBED C#CCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCN(C)S1(=O)=O 1085868580 UGSLFTASHMCQPN-CHWSQXEVSA-N 313.423 -0.424 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2cnc(O)n(C)c2=O)[C@H]1C 1088790262 FTENEZVWDNOGLQ-PWSUYJOCSA-N 304.350 -0.298 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2cncc3ncn(C)c23)[C@H](O)C1 1090332663 BZQJAKSGRFDYIJ-TZMCWYRMSA-N 313.361 -0.234 30 20 DBED C=CCCN1CC[C@H](NC(=O)Cn2ccc(O)nc2=O)[C@H](O)C1 1090404966 VYNKMDBDGGMGPA-NWDGAFQWSA-N 322.365 -0.924 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(c2ccnc(C)n2)C[C@H]1O 1090417396 AGDZAVFSFOCFSK-LALPHHSUSA-N 306.366 -0.222 30 20 DBED N#CCN1CC[C@H](NC(=O)c2ccc3nn[nH]c3c2)[C@@H](O)C1 1090793761 HTQVZCMVGXAEBO-AAEUAGOBSA-N 300.322 -0.354 30 20 DBED N#Cc1cncc(N2C[C@H]3[C@H](NC(=O)CCCC(N)=O)[C@H]3C2)n1 1093279438 VIUOGRIRIBKJJF-HBYGRHMLSA-N 314.349 -0.445 30 20 DBED C[C@@H]1CCN(C(=O)C(=O)NCCNc2nccnc2C#N)C1 1093870272 SSSKNWWEBHQAQZ-SNVBAGLBSA-N 302.338 -0.255 30 20 DBED C#CCN1CC(n2cc(CNC(=O)[C@@H]3CO[C@@H](C)C3)nn2)C1 1094301953 IMBRAVXXSJVURS-RYUDHWBXSA-N 303.366 -0.191 30 20 DBED CC#CCN1CC(n2cc(CNC(=O)c3cnon3)nn2)C1 1094328001 VUXOYCXERTZPES-UHFFFAOYSA-N 301.310 -0.529 30 20 DBED C[C@H](C(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1)n1cccn1 1094705014 HCBMHGNNRWWPRP-NEPJUHHUSA-N 316.365 -0.631 30 20 DBED CC#CCN1CC(N2C[C@@H](NC(=O)c3cnc(C)[nH]3)CC2=O)C1 1094715522 NUGMMHORHYQMPW-LBPRGKRZSA-N 315.377 -0.244 30 20 DBED N#Cc1ccc(NCCCNC(=O)[C@H]2CCC(=O)NC2)nn1 1094884684 UNMFWYNVXGOMPZ-JTQLQIEISA-N 302.338 -0.207 30 20 DBED CC(=O)NC(C)(C)C(=O)N[C@@H]1CCN(c2ccc(C#N)nn2)C1 1096399643 DRWZNFJDENOOKM-GFCCVEGCSA-N 316.365 -0.042 30 20 DBED CCCC(=O)NCC(=O)N[C@H]1C[C@H](N=c2cc[nH]c(C#N)n2)C1 1097010730 KHCNPODOUUTYGP-XYPYZODXSA-N 316.365 -0.254 30 20 DBED C#CCN(CCO)C1CCN(C(=O)CCCCC(N)=O)CC1 1098528499 HMGMWPOQPLYDLH-UHFFFAOYSA-N 309.410 -0.049 30 20 DBED C#CCN(CCO)C1CCN(C(=O)c2ccc(=O)n(C)n2)CC1 1098555364 HXMPYNFLZVKKKM-UHFFFAOYSA-N 318.377 -0.688 30 20 DBED CNC(=O)CC(=O)N1CCC[C@H](N(C)c2ccnc(C#N)n2)C1 1098683876 KWWMTOZLWNWTDM-NSHDSACASA-N 316.365 -0.088 30 20 DBED C[C@H](CCNC(=O)CCNC(N)=O)Nc1nccnc1C#N 1099141996 WIAYMVLPDUXDES-SECBINFHSA-N 305.342 -0.287 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)c2cc(C)no2)[C@H](O)C1 1099668066 AYGREALFWUYDHP-VXGBXAGGSA-N 322.365 -0.550 30 20 DBED CC(C)(C)CC(=O)N[C@@H]1CCN(CC(=O)NCC#N)C[C@H]1O 1099681485 QTUJSXSXLWNRQP-VXGBXAGGSA-N 310.398 -0.386 30 20 DBED N#Cc1ccccc1CN1CC[C@H](NC(=O)CC(N)=O)[C@H](O)C1 1099757453 FTLZJLUOQGIZLC-UONOGXRCSA-N 316.361 -0.515 30 20 DBED N#CCNC(=O)CN1CC[C@H](NC(=O)C=C2CCC2)[C@H](O)C1 1099764164 RAPQEWQSTUEZKH-QWHCGFSZSA-N 306.366 -0.712 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CCN(Cc2nc(O)n[nH]2)C[C@H]1O 1099821238 SEYWJVCXFYYBIK-GHMZBOCLSA-N 307.354 -0.779 30 20 DBED CC(C)C#CC(=O)N[C@H]1CCN(CC(=O)NCC2CC2)C[C@@H]1O 1099821811 YDUOUIGGCIJAJA-GJZGRUSLSA-N 321.421 -0.277 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)C2(C)CCCC2)[C@H](O)C1 1099935681 SDYUKCMIQGBQHG-UONOGXRCSA-N 321.421 -0.133 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)COCc2ncnn2C)[C@@H](O)C1 1100058557 VZFUYVSZNCDJFW-STQMWFEESA-N 323.397 -0.541 30 20 DBED C#CCN1CC[C@@H](NC(=O)CNC(=O)c2cscn2)[C@@H](O)C1 1100063752 BZTDKBXZMOQSHV-PWSUYJOCSA-N 322.390 -0.943 30 20 DBED C[C@@H]1C[C@H](C(=O)NCCN(C)c2nccnc2C#N)CC(=O)N1 1100211504 PQIDCQKUTBULHC-MNOVXSKESA-N 316.365 -0.185 30 20 DBED CN(CCNC(=O)c1nnc(O)nc1O)c1ncccc1C#N 1100415871 JWLZBYRSZMQOGF-UHFFFAOYSA-N 315.293 -0.584 30 20 DBED CCN(CCNC(=O)[C@@H](C)C#N)c1ncnc2c1nnn2C 1100472850 OCJZVNPPDQWOFF-VIFPVBQESA-N 302.342 -0.140 30 20 DBED N#Cc1ccc(N2CC[C@@H](CNC(=O)Cn3cncn3)C2)nn1 1100981633 LWGJZFXKCTXAAJ-NSHDSACASA-N 312.337 -0.418 30 20 DBED Cn1ncc(C(=O)NCCN(c2cnc(C#N)cn2)C2CC2)n1 1101362429 KBRCJDLJDVEKSQ-UHFFFAOYSA-N 312.337 -0.124 30 20 DBED CN(CCNc1nccn2nnnc12)C(=O)c1c[nH]c(C#N)c1 1101551050 PXAKENBEXFVMLP-UHFFFAOYSA-N 311.309 -0.097 30 20 DBED CC(=O)NCCOCCN1C[C@@H](C)[C@H](CNC(=O)[C@@H](C)C#N)C1 1101823408 AEWMMKZANIPWLF-GZBFAFLISA-N 324.425 -0.017 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(C)CCNc1ccc2nnnn2n1 1101961289 IQXJSLHVXAAHRW-MNOVXSKESA-N 317.353 -0.019 30 20 DBED C[C@H](NC(N)=O)C(=O)N1C[C@@H]2C[C@H]1CN2c1ccncc1C#N 1102547630 IRJOOIYZKZLQJP-DLOVCJGASA-N 314.349 -0.200 30 20 DBED CC[C@H](CNC(=O)CCNC(N)=O)Nc1cncc(C#N)n1 1103092412 VRKOCQWSXIJMSY-SECBINFHSA-N 305.342 -0.287 30 20 DBED CCCC(=O)NCC(=O)NC[C@@H](C)CN=c1cc[nH]c(C#N)n1 1103867322 UUODAWGYBSYHGF-NSHDSACASA-N 318.381 -0.149 30 20 DBED C#CCCCC(=O)N1CC(n2cc(CNC[C@H](C)O)nn2)C1 1105225268 OPISMGIKEQEBNG-LBPRGKRZSA-N 305.382 -0.065 30 20 DBED CN(CCN(C)c1cnc(C#N)cn1)C(=O)c1nccnc1N 1105351450 UZQPJOLGKXWYSS-UHFFFAOYSA-N 312.337 -0.071 30 20 DBED N#CCNC1CCC2(CC1)CN(C(=O)CNC(N)=O)CCO2 1105454906 HNSNBWVZVKPYTL-UHFFFAOYSA-N 309.370 -0.692 30 20 DBED C#CCCCC(=O)NC[C@@H](O)CNc1nccn2nnnc12 1105798676 IWDYUUYOZFXTFM-SNVBAGLBSA-N 303.326 -0.788 30 20 DBED CC[C@H](C(=O)N1C[C@@H](C)[C@H](CNCC(=O)NCC#N)C1)N(C)C 1106308874 FPDNEEOTLYRORZ-MGPQQGTHSA-N 323.441 -0.350 30 20 DBED C#CCNC[C@@H]1CN(C(=O)Cn2ccc(O)nc2=O)C[C@H]1C 1106387213 DJSUREXLNIXCCK-VXGBXAGGSA-N 304.350 -0.734 30 20 DBED CNC(=O)NCC(=O)N[C@H](C)CCNc1cnc(C#N)cn1 1106615912 MFZXZGYEPQPSFD-SECBINFHSA-N 305.342 -0.416 30 20 DBED C#CCCN1CCO[C@](C)(CNC(=O)C2CN(C(C)=O)C2)C1 1107899649 USCATAPIQLTHLZ-MRXNPFEDSA-N 307.394 -0.305 30 20 DBED C#CCCCC(=O)N[C@H]1CC(=O)N(C2CN(CCCO)C2)C1 1108538978 RWBNHRAVEZIKFQ-ZDUSSCGKSA-N 307.394 -0.426 30 20 DBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1ccc[nH]1 1108922648 SEFJMPOKLIEVQC-WXHSDQCUSA-N 301.350 -0.010 30 20 DBED C#CCNC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cn[nH]c1 1108980420 YXYCBTPADCFDPZ-GHYVTOPFSA-N 315.377 -0.117 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CNC(=O)OC 1108986524 QKBZPCZGXLYLTC-AGIUHOORSA-N 309.366 -0.286 30 20 DBED C[C@H](CN(C)c1ccc(C#N)cn1)NC(=O)Cn1ncnn1 1109119285 SCNFKCBVSHUYKP-SNVBAGLBSA-N 300.326 -0.419 30 20 DBED N#Cc1cnc(N2C[C@H]3C[C@@H](NC(=O)CC(N)=O)C[C@H]2C3)cn1 1111153928 QILDTXCWMZRNHP-HOSYDEDBSA-N 314.349 -0.303 30 20 DBED N#Cc1cncc(NCCN(CCO)C(=O)[C@@H]2CCCO2)n1 1111412748 CIYSUFJAJWBEFO-LBPRGKRZSA-N 305.338 -0.240 30 20 DBED COC(=O)c1cnc(NCCN(CCO)C(=O)[C@H](C)C#N)nc1 1111436211 WCQBESRQOTVPLA-SNVBAGLBSA-N 321.337 -0.344 30 20 DBED C#CCOCCC(=O)N(CCO)CCNc1nccnc1F 1111510824 MNAZELNNBQPQQP-UHFFFAOYSA-N 310.329 -0.112 30 20 DBED CN(CCCN(C)c1cncc(C#N)n1)C(=O)C1(C(N)=O)CC1 1112175608 MRVQNVNNPSXRJK-UHFFFAOYSA-N 316.365 -0.102 30 20 DBED CNC(=O)CC(=O)N1C[C@@H](C)[C@@H](Nc2cncc(C#N)n2)C1 1112308940 PTYVTZOBBDEAPK-KOLCDFICSA-N 302.338 -0.257 30 20 DBED CC(=O)NCC(=O)NC[C@H]1CN(c2ccc(C#N)nc2)C[C@@H]1O 1112694676 JHQJMTGHWBAZAN-FZMZJTMJSA-N 317.349 -0.997 30 20 DBED C[C@@H](CNC(=O)[C@]1(C)CNC(=O)C1)N(C)c1nccnc1C#N 1113783915 PZCPYFOEOCXKRA-BONVTDFDSA-N 316.365 -0.185 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)CSCC#N)[C@@H]2C1 1113899904 WNMBGCNSCBMOHT-QJPTWQEYSA-N 322.434 -0.020 30 20 DBED C=CCOCC(=O)NC1[C@H]2CN(Cc3nnnn3CCC)C[C@H]12 1114047526 HLOJCXHURGSBGV-RYUDHWBXSA-N 320.397 -0.168 30 20 DBED Cc1[nH]ccc1C(=O)NC1[C@H]2CN(CC(=O)NCC#N)C[C@H]12 1114105761 KIOAHDSBDYFZSA-RYUDHWBXSA-N 301.350 -0.377 30 20 DBED Cn1ccc(C(=O)NC2[C@H]3CN(CC(=O)NCC#N)C[C@H]23)c1 1114136198 DUGHXFVSIBBTOZ-RYUDHWBXSA-N 301.350 -0.675 30 20 DBED COC[C@@H](O)CN1C[C@@H]2C(NC(=O)c3c[nH]c(C#N)c3)[C@H]2C1 1114148574 ITHPZOCFMGIAHR-AVGNSLFASA-N 304.350 -0.446 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1[C@@H]2CN(Cc3cnc(C)o3)C[C@@H]21 1114160104 ROLVENODKTYFIA-VIKVFOODSA-N 316.361 -0.331 30 20 DBED N#CCNC(=O)CN1C[C@H]2C(NC(=O)[C@H]3C[C@@H]3C(F)F)[C@@H]2C1 1114220562 SYKMPOUTHHCSQQ-AXTSPUMRSA-N 312.320 -0.426 30 20 DBED Cn1[nH]c(CN2C[C@H]3C(NC(=O)C#CC4CC4)[C@@H]3C2)nc1=O 1114253720 TYYRCWAQDKOMAG-GHMZBOCLSA-N 301.350 -0.932 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H]1[C@@H]2CN(Cc3ncnn3C)C[C@@H]21 1114271031 OCHDNNAMTBNQOQ-CIQGVGRVSA-N 303.366 -0.600 30 20 DBED CCN1C[C@H](C(=O)N[C@H]2[C@@H]3CN(CC#CCOC)C[C@@H]32)CC1=O 1114357848 KOJQAQCLHIKOPQ-NYTXWWLZSA-N 319.405 -0.449 30 20 DBED Cc1cc(C(=O)NC2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]23)c(C)[nH]1 1114889012 SAAZVHOCCHHXCF-CHWSQXEVSA-N 315.377 -0.069 30 20 DBED C[C@@H](CCCN=c1cc[nH]c(C#N)n1)NC(=O)c1nc[nH]n1 1114981091 IGJOTIVAQWNIMJ-VIFPVBQESA-N 300.326 -0.101 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1115332837 QLQUNSNUFZWFKD-CIQGVGRVSA-N 306.366 -0.736 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)COC[C@H]3CCCO3)[C@@H]2C1 1115354125 IYLIMSSZQSZTMC-RBSFLKMASA-N 322.405 -0.122 30 20 DBED C[C@@H]1CCN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)[C@H]1CO 1118986319 ITVHGJVOUZTRDE-XBFCOCLRSA-N 320.393 -0.586 30 20 DBED C#CCN(C(=O)C(=O)N1CCN(c2ncccn2)CC1)C(C)C 1120396584 QKNYJTMGPYPQHF-UHFFFAOYSA-N 315.377 -0.005 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)C2=COCCO2)cn1 1121003167 DSMCHDULENWYRE-GFCCVEGCSA-N 304.306 -0.270 30 20 DBED CCOCCC(=O)NC[C@@H](CO)N=c1cc(C)[nH]cc1C#N 1121205241 MHWOWXSIOHVMJV-ZDUSSCGKSA-N 306.366 -0.001 30 20 DBED Cc1ccnc(C(=O)NC[C@@H](CO)Nc2ccc(C#N)nn2)n1 1121505249 LODSFILVXGPUGH-NSHDSACASA-N 313.321 -0.351 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H](CO)CNC(=O)Cn1ccnc1 1121719127 ZJOKOSJQYMZFRV-GFCCVEGCSA-N 300.322 -0.839 30 20 DBED Cc1cc(C#N)nc(N[C@@H](CO)CNC(=O)c2cnco2)n1 1122293197 MBDZWXSUDCPVSO-SNVBAGLBSA-N 302.294 -0.153 30 20 DBED Cc1cocc1C(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1 1122325905 LSFAOLGEXDQPKT-SNVBAGLBSA-N 301.306 -0.126 30 20 DBED C#CCN(C)c1nnc(Cn2cc(CCO)nn2)n1CCOC 1122455578 YJNZGLLDFIDLDI-UHFFFAOYSA-N 319.369 -0.832 30 20 DBED COC(=O)NCC(=O)N1CC[C@H](N=c2cc[nH]c(C#N)n2)[C@H]1C 1122940075 BWAKIWHADUSXMM-ZJUUUORDSA-N 318.337 -0.473 30 20 DBED N#CCSCC(=O)NCCNCc1ncnn1CCF 1123791996 CWCHCRNNZKUERW-UHFFFAOYSA-N 300.363 -0.290 30 20 DBED CNC(=O)CC(=O)N(C)C[C@@H](O)CNc1nc(C)ccc1C#N 1124257042 PEKCKJAXWJQMGG-LBPRGKRZSA-N 319.365 -0.371 30 20 DBED C[C@@H](NC(=O)CC(N)=O)C1CCN(c2cnc(C#N)cn2)CC1 1126609249 IWNGHMVDCZFPQD-SNVBAGLBSA-N 316.365 -0.055 30 20 DBED C#CCO[C@@H](C)C(=O)NCCN[C@@H](C)C(=O)NC(=O)NCC=C 1127052515 ZJWVRQVHQFUMNQ-RYUDHWBXSA-N 324.381 -0.869 30 20 DBED C#CCO[C@H](C)C(=O)NCCN[C@H](C)C(=O)NC(=O)NCC=C 1127052516 ZJWVRQVHQFUMNQ-VXGBXAGGSA-N 324.381 -0.869 30 20 DBED COCC#CCNCCNC(=O)Cc1ccccc1C(N)=O 1132236467 NCBRQHSEAADYQI-UHFFFAOYSA-N 303.362 -0.316 30 20 DBED COCC#CCNCCNC(=O)[C@@H]1CCc2cnn(C)c2C1 1132900266 AOOQECPSLHOQME-CYBMUJFWSA-N 304.394 -0.119 30 20 DBED Cc1nn(C)cc1C(=O)N[C@@H](C)C[C@H](C)NCC(=O)NCC#N 1133937346 XNJQUMCUPXPNIF-QWRGUYRKSA-N 320.397 -0.145 30 20 DBED C=CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)c1nnn(C)c1C 1133995185 XPACEKOVQHSDRX-MNOVXSKESA-N 322.413 -0.088 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)c1c(C)cnn1C 1135219108 QLKZEJJTOLFWBG-QWHCGFSZSA-N 319.409 -0.036 30 20 DBED C=CCN(CC=C)C(=O)CN[C@H](C)C[C@@H](C)NC(=O)C(N)=O 1135353169 CTRUTTYOWHZEDP-VXGBXAGGSA-N 310.398 -0.455 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)c1cn(CC(=O)N(C)C)nn1)NCC#N 1146583573 MQMYZVYBHLBXPN-WDEREUQCSA-N 321.385 -0.624 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC2(CN(C(=O)c3cocn3)C2)C1 1147186760 BYCIRUCKAATEPX-LBPRGKRZSA-N 316.361 -0.040 30 20 DBED C#CCNC(=O)CC(=O)N1CC2(CCN(Cc3ccon3)C2)C1 1147369198 WZKVEYZZNRGSKX-UHFFFAOYSA-N 316.361 -0.152 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC2(CCN(CC(=O)NCC)C2)C1 1147530926 RRYRQYIDGWCPGB-ZDUSSCGKSA-N 307.394 -0.305 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@H]1CCc2n[nH]cc2C1 1147680399 XBDUDYZTQPVTMN-RYUDHWBXSA-N 317.393 -0.642 30 20 DBED C#CCOc1ncccc1C(=O)NCCN[C@H](CC)C(N)=O 1148302038 AISPIZMRSSHLML-GFCCVEGCSA-N 304.350 -0.323 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H]1CN(CC#CCOC)CCCO1 1149707454 KIBTYOBDJGCPCU-HZPDHXFCSA-N 322.405 -0.118 30 20 DBED C#CCN1CCC(CCOC)(NC(=O)[C@@H]2CNC(=O)N2)CC1 1151281358 KAKTVOMKKFQCON-LBPRGKRZSA-N 308.382 -0.712 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)Cn1cc(C)cn1 1152234532 MYXFPFNCCTWMIM-CYBMUJFWSA-N 320.397 -0.342 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)[C@]1(C)CNC(=O)C1 1163089225 OACTWXOTJOHXSG-NHYWBVRUSA-N 310.398 -0.701 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)C(=O)N1CC[C@H](C)C1 1170651581 BVZCRYNIPMKOQB-STQMWFEESA-N 324.425 -0.359 30 20 DBED COCC#CCN[C@H]1CCN(C(=O)CNC(=O)C2CC2)[C@H]1C 1178202792 LBPXLNTZLFXGFB-JSGCOSHPSA-N 307.394 -0.259 30 20 DBED C#CCCNCCCCCCNC(=O)CS(=O)(=O)NC 1180309682 UAALOUJJWVXEPA-UHFFFAOYSA-N 303.428 -0.175 30 20 DBED C=CCNC[C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C[C@H]1C 1184424769 PQMGGABQLUWSLO-NEPJUHHUSA-N 320.397 -0.363 30 20 DBED N#CCNC[C@@H]1CN(C(=O)Cc2nc[nH]n2)CC12CCOCC2 1186536189 AIEQZABGBIAUKR-GFCCVEGCSA-N 318.381 -0.284 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)c2cn(CC)nn2)C1 1186665682 MWCVDZYYADVCFJ-LLVKDONJSA-N 306.370 -0.596 30 20 DBED C=CCn1cccc1C(=O)N[C@@H]1CN(C[C@@H](O)COC)C[C@H]1O 1193781715 NJRVZGKHFTYEPI-UMVBOHGHSA-N 323.393 -0.544 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)c2n[nH]c(C)c2C)CC1 1199877957 MPQUALZAHNUWEU-UHFFFAOYSA-N 317.393 -0.030 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)c2cn[nH]c2)CCCO1 1199940194 KJETUPZBRRPYDU-CQSZACIVSA-N 306.366 -0.120 30 20 DBED CC#CCNC[C@H]1CN(C(=O)c2cc(=O)n(C)o2)CCCO1 1200380281 TYUIARQEVPMUDM-LBPRGKRZSA-N 307.350 -0.178 30 20 DBED Cc1nc(O)[nH]c1C(=O)N1CCC(NCC(=O)NCC#N)CC1 1201164527 GMXHPIHBWRLMMU-UHFFFAOYSA-N 320.353 -0.742 30 20 DBED C#CCCNC1CCN(C(=O)CN2CCC(=O)NC2=O)CC1 1203213588 CMMMYBKEKFVWAZ-UHFFFAOYSA-N 306.366 -0.468 30 20 DBED CO[C@H]1C[C@H](C(=O)N2CCC(CNCC#N)CC2)N(C(C)=O)C1 1205775917 YUYNTFABENBREI-LSDHHAIUSA-N 322.409 -0.026 30 20 DBED CC(C)(C)C#CC(=O)N1CCC[C@@H](NCC(=O)NC(N)=O)C1 1208010045 FGYQYKOGVXEYGQ-LLVKDONJSA-N 308.382 -0.189 30 20 DBED COCC#CCN[C@H]1CCCN(C(=O)[C@@H]2CCCNC2=O)C1 1208372952 FAKKAEKGOBLLBP-UONOGXRCSA-N 307.394 -0.257 30 20 DBED C=CCOCCN1C[C@@H](NC(=O)[C@@H]2CCN(C)C2)[C@H](OC)C1 1213857788 WHOJCLCFMAWLMQ-RBSFLKMASA-N 311.426 -0.044 30 20 DBED CC#CCN[C@@H]1CN(C(=O)[C@@H](C)N2C(=O)CCC2=O)C[C@H]1C 1214780022 HWIULKFUMJKWQD-JHJVBQTASA-N 305.378 -0.016 30 20 DBED CC#CCN[C@@H]1CN(C(=O)CC[C@H]2NC(=O)NC2=O)C[C@H]1C 1216715876 XCVBMJHMWZQWSK-IJLUTSLNSA-N 306.366 -0.566 30 20 DBED C=CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CN(C)C(=O)COC 1218066102 NDCWJLDOIITJKJ-QWHCGFSZSA-N 311.382 -0.811 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CC12CC2 1218683400 RPTXTCOCNCEYBE-HZSPNIEDSA-N 317.389 -0.553 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(Cc2cnnn2CC)C[C@@H]1O 1219361912 KWGRFUXHXWXVEM-OLZOCXBDSA-N 309.370 -0.838 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)c2cnn(CC)n2)C1 1219563524 YXQXVKYCHRAFSB-OLZOCXBDSA-N 309.370 -0.725 30 20 DBED N#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCCC23CC3)C1 1219868141 WVKWTCJEKLYOFK-XQQFMLRXSA-N 320.393 -0.632 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)CNC(=O)C2CCCCC2)C1 1220904717 ZWYJKXBBMUQRFG-CABCVRRESA-N 321.421 -0.133 30 20 DBED CC#CCCCC(=O)N1C[C@H]2CCN(CC(=O)NC(N)=O)C[C@H]21 1221754568 OXLUMUBQUBWPFQ-CHWSQXEVSA-N 320.393 -0.092 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)N1C[C@H]2CCN(CCO)C[C@H]21 1221852188 VIJUKQIHVUZHBY-QLFBSQMISA-N 309.410 -0.018 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)c2nn(C)cc2C)CC1 1227251496 FRPMXDJKZNTJQX-UHFFFAOYSA-N 317.393 -0.328 30 20 DBED CN(CC(=O)NC1CCN(CC(=O)NCC#N)CC1)C1CCC1 1227825195 HORBARMZGAWWKW-UHFFFAOYSA-N 321.425 -0.309 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CCN(CC(=O)NCC)CC1 1227849624 WMQFWFAJKXSMEL-HNNXBMFYSA-N 320.437 -0.199 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cccnn1 1229270164 PTALTMNUXWUYMF-VXGBXAGGSA-N 316.365 -0.253 30 20 DBED Cc1c(C(=O)N(C)C[C@@H]2CCN2CC(=O)NCC#N)cnn1C 1230762170 IRIFUNJSMSMABE-LBPRGKRZSA-N 318.381 -0.485 30 20 DBED COCC#CCN1CC[C@H]1CN(C)C(=O)CNC(=O)C1CC1 1230877141 UUQIPRIRSDSLNW-AWEZNQCLSA-N 307.394 -0.305 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)[C@@H]1CCN(C)[C@@H]1C 1234402220 JKIVCPASHLBGJG-QLFBSQMISA-N 320.437 -0.391 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)[C@H](C)NC(=O)CC 1234490752 RGKIRBDIMZYLHF-QWHCGFSZSA-N 322.409 -0.817 30 20 DBED C#CCN1CCN(c2nnc(Cc3nc[nH]n3)n2CC=C)CC1 1262960702 KFLXVPSUSFPCNM-UHFFFAOYSA-N 312.381 -0.072 30 20 DBED N#CCNC(=O)CN[C@H]1CCN(C(=O)Cc2ncccc2F)C1 1317304734 IEMKWTPWWXDIJY-NSHDSACASA-N 319.340 -0.407 30 20 DBED C=CCNC(=O)CNC(=O)c1ccc(CS(N)(=O)=O)cc1 1319984835 LLEJIFSTUOUALX-UHFFFAOYSA-N 311.363 -0.493 30 20 DBED CC(=O)NCCCNC(=O)C(=O)NCc1ccc(C#N)cc1 1322216868 ULEWUSRKTWMUTI-UHFFFAOYSA-N 302.334 -0.183 30 20 DBED C#CCSCCNC(=O)C(=O)N[C@H]1CCOC[C@H]1OCC 1323277451 IPSNTUVPPOTSNX-NWDGAFQWSA-N 314.407 -0.221 30 20 DBED C=CCCC[C@H](C)NC(=O)C(=O)N(C)CCNS(C)(=O)=O 1323549197 ZRKLWONQZXESGB-NSHDSACASA-N 319.427 -0.145 30 20 DBED C[C@H](CC(N)=O)NC(=O)C(=O)Nc1cccc(OCC#N)c1 1326639815 YKRMWFQHRMFJEA-SECBINFHSA-N 304.306 -0.092 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)NCc1nnn(C(C)(C)C)n1 1329203304 FUWDAQHVRFPENO-VIFPVBQESA-N 310.358 -0.639 30 20 DBED C#C[C@H](NC(=O)C(=O)NCc1cn(CC=C)nn1)[C@@H]1CCCO1 1332043291 ONBKEOSFOZXPAE-STQMWFEESA-N 317.349 -0.623 30 20 DBED C=CCn1c(C(N)=O)nnc1N1CC[C@H](N2CCCC2=O)C1 1339530243 YVNFTXLFLZDENG-JTQLQIEISA-N 304.354 -0.236 30 20 DBED C#CCNCC(=O)NCCS(=O)(=O)NCc1ccccc1 1341308992 RRIRGBFZNOAGBL-UHFFFAOYSA-N 309.391 -0.555 30 20 DBED C#CCNCC(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCCN2)C1 1341634675 SAJBWVVDZVTOAC-UONOGXRCSA-N 306.410 -0.684 30 20 DBED C=CCN(Cc1ccccc1)C(=O)C(=O)NCC(=O)NOC 1342029419 HZAHNFHKGVDDFC-UHFFFAOYSA-N 305.334 -0.005 30 20 DBED C=C(C)Cn1c(N2CCNC(=O)C2)nnc1C1(O)CCOCC1 1342686035 ZMYDAKWRYXFPIN-UHFFFAOYSA-N 321.381 -0.212 30 20 DBED C#CCOCCN(C)C(=O)C1CCN(S(N)(=O)=O)CC1 1348891984 UMKYJNFUGMMVGL-UHFFFAOYSA-N 303.384 -0.990 30 20 DBED C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)Cn1cc(C#N)c(O)nc1=O 1362246302 SPEWEGGVMUWPAW-SKDRFNHKSA-N 317.349 -0.581 30 20 DBED COC1([C@@H](C)NC(=O)Cn2cc(C#N)c(O)nc2=O)CCC1 1363056892 DRJYXOQMRVEXFO-SECBINFHSA-N 306.322 -0.106 30 20 DBED N#CCC1(CNC(=O)NCC2(O)CCS(=O)(=O)CC2)CC1 1365155354 YMXNRGHXTJQNNZ-UHFFFAOYSA-N 315.395 -0.081 30 20 DBED N#CCCN(CCC#N)C(=O)CN1CCOC[C@@H]1CC(N)=O 1365309472 DORLDSBOOOOSRG-LBPRGKRZSA-N 307.354 -0.781 30 20 DBED C[C@H](CN(C)C(=O)c1cc(C#N)c[nH]1)NC(=O)[C@H]1COC(=O)N1 1370471800 FIOOMONIWAFNBQ-LDYMZIIASA-N 319.321 -0.429 30 20 DBED C[C@H](C#N)C(=O)N(C)CCNC(=O)c1cnc(N(C)C)cn1 1373462091 NETXNMOLVAIMNM-SNVBAGLBSA-N 304.354 -0.110 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1ccc2c(c1)CCO2 1376675905 NEVQDHANFRUGAL-GXFFZTMASA-N 317.345 -0.012 30 20 DBED C[C@@H](CN(C)C(=O)Cn1cnnn1)NC(=O)c1c[nH]c(C#N)c1 1383649554 LHHDOGMYYXRAOI-VIFPVBQESA-N 316.325 -0.850 30 20 DBED CN(CCNC(=O)Cn1cnnn1)Cc1ccc(F)c(C#N)c1 1390738437 YLJAWJGJGWQENN-UHFFFAOYSA-N 317.328 -0.068 30 20 DBED C[C@H](C#N)C(=O)NCCN1CCN(C(=O)CC(C)(C)O)CC1 1396890874 VPFHNEMWMCFXOF-GFCCVEGCSA-N 310.398 -0.433 30 20 DBED C[C@@H](C#N)C(=O)NC1CN(C(=O)[C@@H]2CCc3nnn(C)c3C2)C1 1398676428 APDVVGNYLHQBEU-VHSXEESVSA-N 316.365 -0.593 30 20 DBED COC(=O)NCC(=O)N1CCC[C@@H]1CN(C)C(=O)[C@@H](C)C#N 1404040032 KYTAXQJOIIIQRU-WDEREUQCSA-N 310.354 -0.049 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCN(C)CC(=O)Nc1cnccn1 1406083616 XLRMYELURKNEDC-NSHDSACASA-N 304.354 -0.035 30 20 DBED CC(=O)N1CC(C(=O)NCCN(C(=O)[C@@H](C)C#N)C2CC2)C1 1408911597 NYGIKSBPCMQFFO-JTQLQIEISA-N 306.366 -0.268 30 20 DBED Cc1cc(COCC(=O)N2CC(NC(=O)[C@H](C)C#N)C2)no1 1416048384 XFRWTLKRBBEACD-SECBINFHSA-N 306.322 -0.014 30 20 DBED COc1cc(C(=O)N(C)C[C@H](O)CNC(=O)[C@H](C)C#N)nn1C 1425838617 QWPAIBHXMBVWGG-NXEZZACHSA-N 323.353 -0.863 30 20 DBED C[C@@H](C#N)C(=O)NCC1CN(C(=O)[C@H](C)CN2CCOCC2)C1 1432476476 MTSDSZHMGPFRLD-QWHCGFSZSA-N 322.409 -0.311 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)C1(F)CCOCC1 1433311636 WMRPNIXZGFOQAY-NXEZZACHSA-N 301.318 -0.742 30 20 DBED CCN(C[C@H]1CCCO1)C(=O)Cn1cc(C#N)c(O)nc1=O 1433630081 NJUIFLVHMJTZSN-LLVKDONJSA-N 306.322 -0.152 30 20 DBED CN1CC[C@@H]2CN(S(=O)(=O)N3CCO[C@@H](C#N)C3)C[C@@H]21 1475317829 ZOXLBOGSMMFJIM-WOPDTQHZSA-N 300.384 -0.909 30 20 DBED N#C[C@]12CN(c3cnc(C(=O)O)cn3)C[C@H]1CS(=O)(=O)C2 1574241535 NGHPLILLXNZPCY-QPUJVOFHSA-N 308.319 -0.451 30 20 DBED N#Cc1c[nH]c(=O)n(Cc2ccc(F)c(-c3nn[nH]n3)c2)c1=O 1581861311 NZFWJYLHCKSFCZ-UHFFFAOYSA-N 313.252 -0.224 30 20 DBED C#CCN(CC(=O)O)C(=O)C1=C(C)N(C)c2nnnn2[C@@H]1C 1588400386 WRBXQLROOQLIFD-SECBINFHSA-N 304.310 -0.496 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C)c1cncc(-c2nn[nH]n2)n1 1588929141 MKPMVICYYUOOQZ-QMMMGPOBSA-N 301.314 -0.631 30 20 DBED N#Cc1c(-c2nn[nH]n2)nc(N)n1CC(=O)NC1CCCC1 1592682306 WHCXKJCLSJCBSK-UHFFFAOYSA-N 301.314 -0.424 30 20 DBED C[C@@]1(CCC(=O)O)NC(=O)N(CN2CCO[C@@H](C#N)C2)C1=O 1594001665 ONRGWLCDNRVLOM-ZANVPECISA-N 310.310 -0.656 30 20 DBED COC(=O)[C@@H](C)CS(=O)(=O)N1CCC(C#N)(C(=O)O)CC1 1598688537 QVVMAOKRXFVIGW-VIFPVBQESA-N 318.351 -0.184 30 20 DBED CC(=O)N[C@H]1CCCN(C(=O)Cn2cncc(C#N)c2=O)C1 1645788115 UHQMJXQVSWUYCS-LBPRGKRZSA-N 303.322 -0.758 30 20 DBED NC(=O)NC(=O)CN(CCCNC(=O)C#CC1CC1)C1CC1 1752252869 CEBDYWDOERAMIB-UHFFFAOYSA-N 306.366 -0.435 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)CCCC(N)=O)C1 1752608496 XLHKLNWBLNCQPO-NEPJUHHUSA-N 310.398 -0.477 30 20 DBED C#CCCNC1CCC(NC(=O)CNS(=O)(=O)CC)CC1 1752849902 BONRYYYJKKUDDG-UHFFFAOYSA-N 315.439 -0.034 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCCN(C(=O)c2cnn(C)c2)C1 1752987329 PQTCCLPABFVSPQ-CQSZACIVSA-N 317.393 -0.294 30 20 DBED Cc1c[nH]nc1C(=O)NC[C@H]1CCN(CC(=O)NCC#N)C1 1753124314 IZETYCAPLGOJBU-LLVKDONJSA-N 304.354 -0.590 30 20 DBED Cc1cc(C(=O)NCCN(CC(=O)NCC#N)C2CC2)on1 1753152111 XYTUPZGTRUSNPB-UHFFFAOYSA-N 305.338 -0.183 30 20 DBED C[C@H](CNCCN1C(=O)CCC1=O)N(C)C(=O)C#CC1CC1 1753689976 RIACALHBAMNKKJ-GFCCVEGCSA-N 305.378 -0.015 30 20 DBED CC(C)(C)C#CC(=O)NC[C@H](O)CNC[C@H](O)Cn1cccn1 1753911934 YAUVFKLNCNBSEM-KGLIPLIRSA-N 322.409 -0.640 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](O)CNCc1nc(C)no1 1753930488 INFMHTKKPLNGKN-OBJOEFQTSA-N 324.381 -0.074 30 20 DBED C=CCOCCCC(=O)N(C)C1CN(CC(=O)NC(N)=O)C1 1754572632 KYAYMHSBIRIQAO-UHFFFAOYSA-N 312.370 -0.693 30 20 DBED CC#CCN1CC[C@@](O)(CNC(=O)c2cn(CCC)nn2)C1 1754759788 JYOCXBFLACIVJG-OAHLLOKOSA-N 305.382 -0.122 30 20 DBED C[C@H]1CN(C(=O)CSCC#N)C[C@@H]1CNCc1nnn(C)n1 1754814352 YPAZUSXHMJZHDB-QWRGUYRKSA-N 323.426 -0.349 30 20 DBED C#CCNC(=O)[C@@H](C)NCCN(CCO)C(=O)C#CC(C)C 1754881382 BFTVOYSSUKWPGV-CQSZACIVSA-N 307.394 -0.806 30 20 DBED C=CCCCNC[C@H]1CN(C(=O)C[C@@H]2CC(=O)NC2=O)CCO1 1755017417 MVLWFKWVFBZESX-STQMWFEESA-N 323.393 -0.178 30 20 DBED C=CCN1CC2(C[C@@H](NC(=O)CCS(C)(=O)=O)CO2)C1 1755064600 ZOGBMHRULCWBMT-LLVKDONJSA-N 302.396 -0.433 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)CS(C)(=O)=O)C[C@@H]1C 1755157403 IAAYXYBYBAMSNN-QWHCGFSZSA-N 316.423 -0.350 30 20 DBED COCCOC[C@H](O)CN1CC([C@@H](C)NC(=O)C#CC2CC2)C1 1755375036 VLOQLQREXOMETH-CZUORRHYSA-N 324.421 -0.140 30 20 DBED C#CCNC(=O)CN[C@H](CCNC(=O)c1cnon1)C(C)C 1755552448 MQGOOFQIGNSBNK-LLVKDONJSA-N 307.354 -0.447 30 20 DBED C#CCCN[C@H](CO)CNC(=O)c1cn(-c2ccccc2)nn1 1755644420 WKUNBSFXBYSKCC-ZDUSSCGKSA-N 313.361 -0.029 30 20 DBED C[C@H]1[C@H](NCC(=O)NCC#N)CCN1C(=O)c1cc(C#N)c[nH]1 1755650694 PSSHBVPWJOMLLP-CMPLNLGQSA-N 314.349 -0.281 30 20 DBED C[C@H]1[C@H](NCC(=O)NC(N)=O)CCN1C(=O)CSCC#N 1755662535 LUKDSKXBBKHNRH-DTWKUNHWSA-N 313.383 -0.983 30 20 DBED CC#CCNC[C@@H]1CC[C@@H](NC(=O)C2CC(=O)NC(=O)C2)C1 1755742172 QHNQFEVVRLQUKY-DGCLKSJQSA-N 305.378 -0.063 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H](C)N(C)C(=O)CCn1cnnn1 1756026330 DXKVXYUQODALBW-NEPJUHHUSA-N 322.369 -0.935 30 20 DBED O=C(C#CC1CC1)NCCCOCCNC(=O)[C@H]1COCCO1 1756393365 CZBCWQGUCSAFIA-CQSZACIVSA-N 324.377 -0.546 30 20 DBED Cc1nn(C)c(F)c1C(=O)N[C@@H](CO)CNC(=O)C#CC(C)C 1756518004 SJYTWVHKJLTKDF-LLVKDONJSA-N 324.356 -0.266 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@H](CO)CNC(=O)c1cncn1C 1756532750 MCORHTDCXSPOHW-QWRGUYRKSA-N 310.354 -0.782 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](O)[C@H](NC(=O)C2=COCCO2)C1 1756975981 APZDCWTWJKLSHY-VXGBXAGGSA-N 308.334 -0.778 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2n[nH]cc2C)C1 1756993949 WYMREHHSBIDXRO-GHMZBOCLSA-N 308.338 -0.778 30 20 DBED CC(C)C#CC(=O)N1CC[C@H]1CN(C)C(=O)[C@H]1CNC(=O)N1 1757301497 FEVAFKUZVOMIEV-NWDGAFQWSA-N 306.366 -0.614 30 20 DBED C#CC(=O)N1CCO[C@]2(CCN(C(=O)CN(C)C(C)C)C2)C1 1784775272 AYUZUXNVXBQFMT-INIZCTEOSA-N 307.394 -0.210 30 20 DBED C[C@@H](CN)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)C#N 1792630119 RQMUVPSETWPAJZ-RVMXOQNASA-N 322.409 -0.279 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)[C@@H](N)CN)C2 1841608767 MXLBBECGNJVZIA-RYUDHWBXSA-N 310.398 -0.933 30 20 DBED C[C@H](C(=O)N1CC2(CCCN2C(=O)CCC#N)C1)n1cnnn1 1842814912 PDTPFAVOIUVNLT-LLVKDONJSA-N 317.353 -0.259 30 20 DBED C[C@@H](S)C(=O)N1CCCC12CN(C(=O)[C@@H]1CNC(=O)O1)C2 1846366329 IMJKHYDKJWAAAZ-BDAKNGLRSA-N 313.379 -0.384 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN([C@H](C)C(=O)NC2CC2)CC1 25319542 KAZYDNMJBKQKHN-QWHCGFSZSA-N 308.426 -0.038 30 20 DBED Cn1c(N(CCO)Cc2ccccc2)c(C#N)c(=O)n(C)c1=O 73341042 SCIQDKSEKLAPSG-UHFFFAOYSA-N 314.345 -0.045 30 20 DBED N#Cc1ccccc1S(=O)(=O)NCCN1C(=O)CNC1=O 74802568 RWFYLYSCFOVBRR-UHFFFAOYSA-N 308.319 -0.612 30 20 DBED N#CCc1ccc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)O)cc1 92130622 KGXHWJPVCLZRQX-ZYHUDNBSSA-N 310.331 -0.039 30 20 DBED CN1C(=O)CC[C@@H](NS(=O)(=O)c2ccc(C#N)nc2)C1=O 122075545 ZVUIDKCRBAZGBL-SNVBAGLBSA-N 308.319 -0.621 30 20 DBED C=CCN(C(=O)CN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 136568598 PBVCQNMXLMEYFG-GFCCVEGCSA-N 302.396 -0.480 30 20 DBED N/C(=N/CCN1C(=O)CNC1=O)N[C@H]1CCOc2ccccc21 262553003 ZLNYGWGZKXQZAY-NSHDSACASA-N 317.349 -0.034 30 20 DBED CCN1CCN(CC(=O)Nc2ccn(CCC#N)n2)C(=O)C1=O 265496742 WYULWPCLMRTFFU-UHFFFAOYSA-N 318.337 -0.574 30 20 DBED C[C@@H](O)C(=O)N1CCN(CC(=O)N(CCC#N)CCC#N)CC1 270933461 XBXRIVXAAINXFO-CYBMUJFWSA-N 321.381 -0.833 30 20 DBED C=CCNC(=O)CNS(=O)(=O)c1ccc2c(c1)C(=O)NCC2 272077351 RVWLUOOBDYXQHF-UHFFFAOYSA-N 323.374 -0.447 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N[C@H]1CCCCNC1=O 272847596 PJRWEUZYKJMULE-JTQLQIEISA-N 303.384 -0.445 30 20 DBED C#CCNS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C 275667289 ZCHKCEQRKYRQBF-UHFFFAOYSA-N 302.377 -0.152 30 20 DBED N#Cc1cncc(S(=O)(=O)N[C@@H]2CC(=O)N(C3CC3)C2)c1 289603801 YAAJAJBECJMLAR-SNVBAGLBSA-N 306.347 -0.005 30 20 DBED C#CCO[C@H](C)C(=O)N1CCN(C(=O)C(=O)NC(C)C)CC1 294352993 JDWVUSGSIQKTSS-GFCCVEGCSA-N 309.366 -0.780 30 20 DBED CC1(C)CN(CC/N=C(/O)NC[C@@]2(O)CCOC2)CCO1 328724196 ATCUSUKOAQCAMU-AWEZNQCLSA-N 301.387 -0.248 30 20 DBED CS(=O)(=O)N1CCCN(/C(O)=N/C[C@@H]2COCCO2)CC1 328795571 CKEKOWCKZMSRNU-LLVKDONJSA-N 321.399 -0.717 30 20 DBED COCc1cc(N/C(O)=N/CC(=O)N2CCOCC2)ncn1 329264316 GRFVSDBHDFXRGL-UHFFFAOYSA-N 309.326 -0.192 30 20 DBED C[C@H](CN1CCCC1=O)/N=C(/O)N1C[C@H]2[C@@H](C1)OCCN2C 329618026 QHGVUOLXVAVGLS-FRRDWIJNSA-N 310.398 -0.074 30 20 DBED COCc1nc2n(n1)C[C@H](/N=C(/O)N[C@@H]1[C@H]3COC[C@H]31)CC2 329989278 HWIXGMXSXOGHBN-DNJQJEMRSA-N 307.354 -0.112 30 20 DBED CN1C[C@H](/N=C(/O)N2CCc3c(ncn(C)c3=O)C2)CC1=O 330115639 UHGKLTGSLBEUMD-SECBINFHSA-N 305.338 -0.717 30 20 DBED CN(CCN1CCOCC1)/C(O)=N/C[C@@H]1CCCS1(=O)=O 330155425 YHPFQTZZLGWJRH-LBPRGKRZSA-N 319.427 -0.258 30 20 DBED Cc1nnsc1C/N=C(/O)N1CC[C@H](NS(C)(=O)=O)C1 330356378 RMVKMXFQANCOFP-QMMMGPOBSA-N 319.412 -0.116 30 20 DBED CN(C)S(=O)(=O)NCCNC(=O)c1sccc1C#N 330598293 BERXKMVEPKXLLN-UHFFFAOYSA-N 302.381 -0.254 30 20 DBED CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CC[C@H](S(N)(=O)=O)C1 330634592 TYDCOYLTJJEEJW-MDZLAQPJSA-N 316.427 -0.208 30 20 DBED CCO[C@@H]1C[C@@H](NC(=O)Cn2cnc(C#N)n2)[C@@]12CCCO2 332897500 KKVOLBPIQWEWMI-GYSYKLTISA-N 305.338 -0.007 30 20 DBED CCCCCN(CCO)S(=O)(=O)N1CCO[C@@H](C#N)C1 337086511 FFFFLYSJBSQDCJ-LBPRGKRZSA-N 305.400 -0.060 30 20 DBED C=CCCOCCNC(=O)C(=O)N1CCN(CC)C(=O)[C@H]1C 341990673 BERXUGNVDQQSSW-GFCCVEGCSA-N 311.382 -0.226 30 20 DBED COc1cc(C#N)ccc1S(=O)(=O)NCC(=O)NCC#N 352509333 GDSYZWVXWTVMPQ-UHFFFAOYSA-N 308.319 -0.515 30 20 DBED N#Cc1ccc(NCC(=O)NCCN2C(=O)CNC2=O)cc1 354518243 XXCRPKTVZLAPGS-UHFFFAOYSA-N 301.306 -0.362 30 20 DBED N#CCC1(O)CN(C(=O)[C@@H](Cc2ccccc2)NC(N)=O)C1 356559163 WIIOGHIKZJWVAZ-GFCCVEGCSA-N 302.334 -0.247 30 20 DBED Cn1c(N[C@@H](CCO)C2CCOCC2)c(C#N)c(=O)n(C)c1=O 359256460 FIPBECGDFYAORR-LBPRGKRZSA-N 322.365 -0.455 30 20 DBED N#Cc1cccc(NC(=O)C(=O)NCC(=O)NCC(F)F)c1 362306127 QMJRBMQVDGTNKD-UHFFFAOYSA-N 310.260 -0.006 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)c2ccc(O)nc2)CC1 371607442 JDCOFPZPQUZFLN-UHFFFAOYSA-N 316.361 -0.316 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N1C[C@H](CO)OC(C)(C)C1 420742567 HMOCKILQSSNJBH-WDEREUQCSA-N 305.400 -0.206 30 20 DBED C=C(C)CS(=O)(=O)N(CCN1CCOCC1)CC(=O)OC 435432416 NDJYHPRRNCSHBF-UHFFFAOYSA-N 320.411 -0.301 30 20 DBED C#CCNC(=O)CN1CCN(Cc2nc(C(F)F)no2)CC1 491707903 YSYJPRZTVLBDGJ-UHFFFAOYSA-N 313.308 -0.126 30 20 DBED N#Cc1c[nH]cnc1=NCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 518174914 BXAGNSOAQZLUHZ-YRRQLQLVSA-N 309.329 -0.011 30 20 DBED C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)c1c(C(=O)O)cnn1C 530149647 PYRXTWOTTUTCOI-WPRPVWTQSA-N 315.351 -0.012 30 20 DBED COC(=O)[C@@H](CNc1c(C#N)c(=O)n(C)c(=O)n1C)CC1CC1 566860074 NBZKJJAGSGUNNU-SNVBAGLBSA-N 320.349 -0.043 30 20 DBED COc1cccc(C[C@@H](NC(C)=O)C(=O)NCC#CCO)c1 570654254 XQESTXHUPURFNO-OAHLLOKOSA-N 304.346 -0.146 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)NC[C@@](C)(CO)CC(=O)O 583444022 KPYKEQMFEONCJR-KOLCDFICSA-N 307.372 -0.472 30 20 DBED C=CCC(=O)N1CCN(C(=O)c2ccc3c(c2)B(O)OC3)CC1 584986575 ZYTQBNOPPNKURM-UHFFFAOYSA-N 314.150 -0.235 30 20 DBED N#C[C@@H](CO)NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 597750493 YPMYVMJGDOUAFN-JTQLQIEISA-N 306.278 -0.285 30 20 DBED CN(CC(N)=O)C[C@H]1CN(C[C@@H](O)CC(C)(C)C#N)CCO1 598621118 UTIOBIVQNBZZOM-STQMWFEESA-N 312.414 -0.595 30 20 DBED COC(=O)C[C@@H](O)CNS(=O)(=O)Cc1cccc(C#N)c1 599462209 MMVBCCSRYYQOIS-GFCCVEGCSA-N 312.347 -0.098 30 20 DBED C[C@@H]1[C@@H](N(C)C)CCN1S(=O)(=O)N1CCO[C@@H](C#N)C1 601422160 PDMZJQMAONUDJA-WOPDTQHZSA-N 302.400 -0.520 30 20 DBED CCN(C[C@H]1CCOC1)C(=O)C(=O)N1CCN(CCC#N)CC1 601431883 SDOWQEGMFVXVIR-CQSZACIVSA-N 322.409 -0.071 30 20 DBED N#Cc1ccc(N2CCN(S(=O)(=O)c3cc[nH]n3)CC2)nn1 617472031 WNICPRPIKDVFSU-UHFFFAOYSA-N 319.350 -0.418 30 20 DBED N#CC1(CNC(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)CC1 619529237 LTZLCSLMTZHTOY-CQSZACIVSA-N 321.425 -0.004 30 20 DBED C=CCn1nnn(CN(C)CC(=O)N2CCOCC2)c1=S 732179759 BZXSGRFXYADREO-UHFFFAOYSA-N 312.399 -0.257 30 20 DBED C#CCNS(=O)(=O)N1CCN(CCc2cccnc2)CC1 761035702 CCKHWGNBQAMHKS-UHFFFAOYSA-N 308.407 -0.291 30 20 DBED C#CCCN1CCN([C@H](C)C(=O)N2CCC[C@H](C(N)=O)C2)CC1 776593260 DUYRQLWQMCEFRF-CABCVRRESA-N 320.437 -0.260 30 20 DBED C#CCCS(=O)(=O)NC(=O)C1CCN(C(=O)N(C)C)CC1 791111514 TYGLWCYYRQNFOC-UHFFFAOYSA-N 315.395 -0.151 30 20 DBED C#C[C@@H](NC(=O)C(=O)N1CCN(C2CCC2)CC1)[C@@H]1CCCO1 809307492 DREQNDZDPHZGGC-CABCVRRESA-N 319.405 -0.020 30 20 DBED CC#CCS(=O)(=O)NC(=O)c1cncc(-n2ccnn2)c1 810776311 ODLGJSMVQAMKPP-UHFFFAOYSA-N 305.319 -0.255 30 20 DBED O=C1NC(=O)C(=NNc2ccnc(Br)c2)C(=O)N1 814226996 OYLPYWIVKXAWAS-UHFFFAOYSA-N 312.083 -0.022 30 20 DBED Cn1c(N)nc(Cl)c1C=NN=c1nc2[nH][nH]cc-2c(O)n1 814843469 VUSBDXGLSKQZLT-UHFFFAOYSA-N 307.705 -0.153 30 20 DBED C#Cc1cccc(CNC(=O)C(=O)N2CCO[C@H](C(=O)O)C2)c1 817113855 AILWIAJXSNSLLB-ZDUSSCGKSA-N 316.313 -0.404 30 20 DBED CC(=O)NCCN(C(=O)Cc1noc(C)c1C#N)[C@@H](C)C(=O)O 819745977 OQBKAVDOTPHDRC-QMMMGPOBSA-N 322.321 -0.165 30 20 DBED O=C(N[C@@H]1CCCN(O)C1=O)[C@@H]1CC[C@H](C(F)(F)F)NC1=O 820471292 RMTNBLRSAAHKCC-XLPZGREQSA-N 323.271 -0.060 30 20 DBED CN(C)C(=O)COc1ccccc1C(=O)N[C@H]1CNC[C@@H]1C#N 834517770 YZXQWBHIWAUWAN-AAEUAGOBSA-N 316.361 -0.005 30 20 DBED CNC[C@@H](C)NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 852920571 VMWDUDKJHSMGLM-SECBINFHSA-N 310.379 -0.551 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@]23CCC[C@@H]2NCC3)C1=O 877393104 PFCMMLGXOOKXJY-ZUZCIYMTSA-N 320.349 -0.636 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N1C[C@@H]2CN(C)C[C@@H]2C1 894124992 QZCZXEMJSXLGMO-TXEJJXNPSA-N 301.412 -0.210 30 20 DBED CN(C)CC#CCNC(=O)CN(C)S(=O)(=O)c1ccccc1 913516956 MPGAZVGLEFELBQ-UHFFFAOYSA-N 323.418 -0.012 30 20 DBED CN(C)CC#CCNC(=O)c1cn(CC(=O)OC(C)(C)C)nn1 913525050 IFTRMFJVPIDMOJ-UHFFFAOYSA-N 321.381 -0.085 30 20 DBED COCCNC(=O)[C@@H](C#N)C(=O)CCNC(=O)c1ccco1 916893129 WRAIPIGZUQYRBC-JTQLQIEISA-N 307.306 -0.129 30 20 DBED N#Cc1c[nH]c(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)c2cnn[nH]2)c1 936780946 YWTMXJZCNNPGHR-UWVGGRQHSA-N 311.305 -0.256 30 20 DBED CCN1C[C@H](C(=O)N[C@@H]2CCN(C(=O)C#CC3CC3)C2)CC1=O 940943412 RAQOTWSXVDZGSM-ZIAGYGMSSA-N 317.389 -0.015 30 20 DBED N#Cc1ccc(C(=O)N2CC3(CCN(C(=O)C(N)=O)CC3)C2)[nH]1 945029169 HBYHIQVDMYCMGK-UHFFFAOYSA-N 315.333 -0.564 30 20 DBED CN1C[C@@H](C(=O)NC2CCN(C(=O)C#CC3CC3)CC2)CC1=O 946699075 BEWGXOSJKSDQRW-ZDUSSCGKSA-N 317.389 -0.015 30 20 DBED CN1CCO[C@H](C(=O)N2CCC3(CC2)CN(CC#N)CCO3)C1 949326268 JZDAXHIMCGTWAA-AWEZNQCLSA-N 322.409 -0.466 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]1CNC(=O)c1cc(=O)n(C)cn1 950761290 JXSRMCFVQULLCR-ZJUUUORDSA-N 303.322 -0.729 30 20 DBED CCN1CCO[C@H](C(=O)N(C)C2CN(C(=O)[C@@H](C)C#N)C2)C1 954426767 YTIACTZSOVPLIT-AAEUAGOBSA-N 308.382 -0.464 30 20 DBED C=C(Cl)CN1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)CC1 957686004 ZUIYBUKUFSFSME-JTQLQIEISA-N 307.803 -0.425 30 20 DBED C#CCCN1C[C@H](CNC(=O)c2c(C)nnn2CC)[C@@H](O)C1 958135887 VGPYPABQRVQMJM-STQMWFEESA-N 305.382 -0.348 30 20 DBED CC#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cc(COC)on2)C1 958458023 GWPATWXWVULJAG-SMDDNHRTSA-N 307.350 -0.133 30 20 DBED CNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)c3c[nH]c(C#N)c3)[C@H]2C1 958619019 YQRIJDGJEXIVIZ-KMLBCRHOSA-N 301.350 -0.319 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2ccc(C(N)=O)cc2)C1 958662549 VHTAAPLXJLFYCH-KGLIPLIRSA-N 301.346 -0.559 30 20 DBED C=C(C)CN1C[C@H]2C(NC(=O)[C@H]3COCCN3C(C)=O)[C@@H]2C1 962614151 HBTXFNJRKANICX-MGPQQGTHSA-N 307.394 -0.144 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CN(C(=O)c3cncnc3)CCO2)C1 965363645 RGBUZEAFYOQXTE-LLVKDONJSA-N 315.333 -0.310 30 20 DBED CSCC(=O)N1CC(N2CCN(C(=O)[C@@H](C)C#N)CC2)C1 967244738 PYCIXXFQIYGDHX-NSHDSACASA-N 310.423 -0.136 30 20 DBED CCN(C(=O)[C@@H]1CCC(=O)N1C)C1CN(C(=O)[C@@H](C)C#N)C1 968243679 MMEAXEHGDPROLN-JQWIXIFHSA-N 306.366 -0.174 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)[C@]1(C)CNC(=O)C1 969410247 DERNJIFOXPHVHY-YMEQNVIZSA-N 318.377 -0.126 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCC(=O)N1C 969636157 NYIGYTGFLNSDIO-RVMXOQNASA-N 318.377 -0.031 30 20 DBED C=CCN1CC[C@H](N[C@@H]2CCN(C(=O)C3(C(N)=O)CC3)C2)C1=O 969792324 OAOSWRNUFHWAMB-NEPJUHHUSA-N 320.393 -0.771 30 20 DBED C[C@@H](NC(=O)c1coc(S(N)(=O)=O)c1)C1CN(CC#N)C1 969994386 XZBQBJKNGQYDHM-MRVPVSSYSA-N 312.351 -0.499 30 20 DBED C[C@H](NC(=O)[C@@H]1COCCN1CC(F)F)C1CN(CC#N)C1 970211782 BHJFFXKSGNVWPI-JQWIXIFHSA-N 316.352 -0.088 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)CCc3nc[nH]n3)[C@@H]2C1 971720159 WYIMYGWFEPBFCQ-QJPTWQEYSA-N 316.365 -0.044 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)Cc3cnn(C)c3)C2)C1 972290948 JXTHDCYJKILQFQ-INIZCTEOSA-N 302.378 -0.101 30 20 DBED C=CCN1CC[C@@H](N(C)[C@@H]2CCN(C(=O)c3nc[nH]n3)C2)C1=O 972579831 RXDNXTVZPRMCND-VXGBXAGGSA-N 318.381 -0.262 30 20 DBED C[C@H](C#N)C(=O)N1CCCN(CC(=O)NC2CCOCC2)CC1 980847905 LOFHGGWGVRGMTG-CYBMUJFWSA-N 322.409 -0.024 30 20 DBED C#CCN1C[C@@]2(C)CN(C(=O)CCn3cnnn3)C[C@@]2(C)C1 982672756 YQKYKNFQFXDRLD-GASCZTMLSA-N 302.382 -0.133 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)C(N)=O)[C@@H]2CC)nc1 985212363 QWGKIAINOUSKEQ-WCQYABFASA-N 314.345 -0.343 30 20 DBED N#Cc1c[nH]c(C(=O)NC2CN(C(=O)[C@H]3CCC(=O)N3)C2)c1 990695542 KUTKGJAEMVCMLN-SNVBAGLBSA-N 301.306 -0.894 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC(NC(=O)c3cncnc3O)C2)c1 994430170 UYMXPXDZHLERSB-UHFFFAOYSA-N 312.289 -0.364 30 20 DBED C#CCN1CCC(C(=O)N[C@H]2CCCN(CC(N)=O)[C@@H]2C)CC1 994495852 HFWTUTBQGRSZQS-HIFRSBDPSA-N 320.437 -0.214 30 20 DBED C=CCn1cc(C(=O)N2CC(NC(=O)c3cnco3)C2)nn1 996663939 MFKBVHARWSPFGU-UHFFFAOYSA-N 302.294 -0.294 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@H](CNC(=O)c3cn(C)nn3)[C@H]2C1 1009013552 DGXZZRJPBIVDOV-DBIOUOCHSA-N 302.338 -0.591 30 20 DBED C[C@@]1(C(=O)N2CCN(C(=O)C#CC3CC3)CC2)CNC(=O)C1 1011111786 TVDZQBRDHPXTTJ-INIZCTEOSA-N 303.362 -0.403 30 20 DBED C#CCN1CCC2(CC1)C[C@H]2NC(=O)Cn1c(O)nnc1O 1016948419 QTIJTHZGVUUUNQ-SNVBAGLBSA-N 305.338 -0.707 30 20 DBED C[C@H](C#N)C(=O)N1CC=C(CNC(=O)[C@@H]2COCCN2C)CC1 1017394999 NMZMYHDJHUSAGO-OCCSQVGLSA-N 320.393 -0.248 30 20 DBED N#Cc1ccc(CN[C@H]2C[C@H](NC(=O)Cn3ncnn3)C2)cc1 1020156305 GAWLBBGSOUVIIH-HDJSIYSDSA-N 311.349 -0.018 30 20 DBED C=C(C)CN[C@H]1C[C@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)C1 1021096531 VQWNNJGFNBNAQY-HAQNSBGRSA-N 320.397 -0.207 30 20 DBED Cn1ccc(CC(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2O)n1 1023649989 KSEPWFSDIQILJE-ZIAGYGMSSA-N 316.361 -0.936 30 20 DBED C[C@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1O 1025113681 ZCMQEDDDMIFYFH-HWNAMQAFSA-N 302.334 -0.156 30 20 DBED C#CCN1[C@H]2CC[C@H]1CN(C(=O)c1cnc(O)n(C)c1=O)C2 1029418106 XKPWBCUPHOAWKX-QWRGUYRKSA-N 302.334 -0.592 30 20 DBED N#Cc1cccc(CN2CC(NC(=O)[C@@H]3COC(=O)N3)C2)c1 1030269527 UQNQTCXQEKSXNF-ZDUSSCGKSA-N 300.318 -0.033 30 20 DBED C#Cc1ccc(C(=O)NC2CN(CCS(C)(=O)=O)C2)nc1 1031278670 VXULPKMQZADYSW-UHFFFAOYSA-N 307.375 -0.479 30 20 DBED C=CCN1CC[C@@H](N2CC(CNC(=O)c3ccnn3C)C2)C1=O 1031576259 CUVQJZYZXCISSS-CQSZACIVSA-N 317.393 -0.131 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCC1CN(Cc2ncnn2C)C1 1031987461 PBSDVGIJBDWNQP-OLZOCXBDSA-N 305.382 -0.046 30 20 DBED C#CCCN1CC[C@H](N(C)C(=O)[C@@H]2CN(C(C)=O)CCO2)C1 1033626277 PBBFHLVWWWHZIT-GJZGRUSLSA-N 307.394 -0.210 30 20 DBED C#CCN1CC2(CCN(C(=O)c3ccc(=O)n(C)n3)CC2)C1 1035846802 XWOMNUSQDWGVKK-UHFFFAOYSA-N 300.362 -0.049 30 20 DBED C#CCN[C@@H]1CCN(C(=O)CCc2nnc(O)nc2O)C[C@@H]1C 1036101279 ZVNXPHDFIWAYRZ-WDEREUQCSA-N 319.365 -0.325 30 20 DBED C=CCN1CC[C@H](N2CC[C@@H]2CNC(=O)c2ncn(C)n2)C1=O 1038221329 ARCSZNUGEOJFTM-NEPJUHHUSA-N 318.381 -0.594 30 20 DBED C#CCCCC(=O)NC[C@@]1(O)CCN(C(=O)Cc2cc[nH]n2)C1 1039574436 SKBSHUJLUREJIX-INIZCTEOSA-N 318.377 -0.165 30 20 DBED CC(C)C#CC(=O)NC[C@]1(O)CCN(C(=O)c2ccncn2)C1 1039665501 NBDIHHUGORZGQJ-MRXNPFEDSA-N 316.361 -0.171 30 20 DBED CN1CC[C@@H](C(=O)N[C@@H]2CN(c3ncccc3C#N)C[C@H]2O)C1 1041048703 BRLQULSVBZYBRK-MGPQQGTHSA-N 315.377 -0.429 30 20 DBED CC[C@H](F)C(=O)N1CC(O)(CNC(=O)CSCC#N)C1 1041575678 ZXUGUVRAPYVWCT-VIFPVBQESA-N 303.359 -0.319 30 20 DBED N#Cc1cc(C(=O)N2CC(O)(CNC(=O)c3ccon3)C2)c[nH]1 1041699336 NNOTUXPOELELFC-UHFFFAOYSA-N 315.289 -0.509 30 20 DBED C=CCOCCCC(=O)N1CC(O)(CNC(=O)[C@H](C)OC)C1 1041754930 WTMZCXYQGJRNAK-LBPRGKRZSA-N 314.382 -0.306 30 20 DBED Cc1cc(C(=O)NCC2(O)CN(C(=O)[C@H](C)C#N)C2)ncn1 1042588644 JHZPNKGVDSZOIC-SECBINFHSA-N 303.322 -0.752 30 20 DBED C=C1CC(C)(C(=O)N2CC(O)(CNC(=O)[C@@H]3CCN(C)C3)C2)C1 1043117105 TULVJFIDTWKQET-CYBMUJFWSA-N 321.421 -0.016 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)CCc2ccncn2)C1 1043323056 SVNGVTUJLQEHBN-LLVKDONJSA-N 317.349 -0.742 30 20 DBED C=CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)CCOC)C1 1043570630 JUJDUFKPMVHGJJ-NSHDSACASA-N 300.355 -0.697 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)[C@H]2CO[C@@H](C)C2)C1 1043632695 MFIUJRYAHBGWTL-QWHCGFSZSA-N 324.377 -0.859 30 20 DBED N#Cc1cncc(N2C[C@H](O)[C@H](NC(=O)Cc3ccc[nH]3)C2)n1 1043985189 YMHDAEYIVJRTIX-OLZOCXBDSA-N 312.333 -0.415 30 20 DBED CC#CCCCC(=O)NCC1(O)CN(C(=O)CC(=O)N(C)C)C1 1045003568 XCUURUPTOKKYFD-UHFFFAOYSA-N 323.393 -0.652 30 20 DBED Cc1n[nH]c(C)c1C(=O)N1CC(O)(CNC(=O)[C@H](C)C#N)C1 1045546092 IDOCESQINFOXRF-MRVPVSSYSA-N 305.338 -0.511 30 20 DBED C=CCN1[C@H]2CC[C@H]1CN(C(=O)C[C@@H]1NC(=O)NC1=O)CC2 1045795743 ATEGWGDUMJDPSO-SRVKXCTJSA-N 306.366 -0.164 30 20 DBED C#CCN1CC[C@H](N2CCN(C(=O)c3nccnc3N)CC2)C1 1046014385 WSEXDNGLTXQXSG-ZDUSSCGKSA-N 314.393 -0.476 30 20 DBED N#CCN1CC[C@H](N2CCN(C(=O)Cc3cc[nH]n3)CC2)C1 1046018416 WFSVSINLTHJXIL-AWEZNQCLSA-N 302.382 -0.306 30 20 DBED C#CCN1CC[C@H](N2CCN(C(=O)c3cnn(C)c3N)CC2)C1 1046022140 LZZNMDMFMUXOOR-ZDUSSCGKSA-N 316.409 -0.532 30 20 DBED C[C@@]1(C(=O)N2CCN([C@H]3CCN(CC#N)C3)CC2)CCC(=O)N1 1046060871 GXSMIEWZEDXBIO-BBRMVZONSA-N 319.409 -0.603 30 20 DBED C=C(C)CN1C[C@H](O)[C@@H](N(C)C(=O)CN2CCCNC2=O)C1 1047442643 HBDAYJQDXMCAJU-STQMWFEESA-N 310.398 -0.519 30 20 DBED CN(C(=O)C(N)=O)[C@H]1CN(Cc2ccc(C#N)cc2F)C[C@@H]1O 1047507426 WTJMXBCEDHMLGQ-STQMWFEESA-N 320.324 -0.814 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(CNC(C)=O)o2)C1 1047564762 AIKIBEYEROFRHE-KBPBESRZSA-N 319.361 -0.334 30 20 DBED N#Cc1cc(C(=O)N2C[C@@H]3CN([C@@H]4CCNC4=O)C[C@@H]3C2)c[nH]1 1048779633 YTKXLGQZSQIUCO-MBNYWOFBSA-N 313.361 -0.221 30 20 DBED C=CCO[C@H](C)C(=O)N(C)[C@H]1CN(C(=O)CCOC)C[C@@H]1O 1049010925 JSPHHBMVNRDMOV-AGIUHOORSA-N 314.382 -0.356 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H]2COCCN2Cc2cnon2)c1 1050867410 GFXHXRUCUHCDNT-LBPRGKRZSA-N 316.321 -0.100 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)[C@H]1CCCS(=O)(=O)C1 1051145039 FNFNUJNRXNPXCI-QWHCGFSZSA-N 314.407 -0.739 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)c1c2c(nn1C)CCC2 1051203061 FJLZXGSQXODQRB-GFCCVEGCSA-N 302.378 -0.027 30 20 DBED N#Cc1ccc(CNC[C@H]2CN(C(=O)C(N)=O)CCO2)cc1 1051794208 IDDJVNGYHAYUMA-ZDUSSCGKSA-N 302.334 -0.639 30 20 DBED C#CCN1CCN([C@@H]2CCN(C(=O)[C@H]3CCC(=O)N3)C2)CC1 1051998152 NZIQBYXVWNKERY-ZIAGYGMSSA-N 304.394 -0.883 30 20 DBED C=CCCN1CCN([C@H]2CCN(C(=O)[C@@H]3COC(=O)N3)C2)CC1 1052018048 AZBRWUXRMNKDBL-KBPBESRZSA-N 322.409 -0.111 30 20 DBED Cc1nn[nH]c1C(=O)N1CC[C@@H](N2CCN(CC#N)CC2)C1 1052060301 BQVLHGLZXIGAAB-GFCCVEGCSA-N 303.370 -0.531 30 20 DBED C[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1CNC(=O)CC(N)=O 1052385340 SJYKPKQWHPUPGF-UWVGGRQHSA-N 317.349 -0.414 30 20 DBED C#CCN1CC2(C1)CN(C(=O)[C@@H]1CC(=O)N[C@H](C)C1)CCO2 1053321604 LSFBJPYZVCSNJJ-OLZOCXBDSA-N 305.378 -0.553 30 20 DBED C#CCN1CC2(C1)CN(C(=O)[C@@H]1CCCCN(C)C1=O)CCO2 1053506782 PZGRCABCSTZEIP-CQSZACIVSA-N 319.405 -0.209 30 20 DBED C[C@@H](C#N)C(=O)N[C@@]1(CO)CCCN(C(=O)CC2(O)CCC2)C1 1056094915 YROINERDYFMMEE-WFASDCNBSA-N 323.393 -0.079 30 20 DBED N#Cc1nccc(N2C[C@@H]3C(NC(=O)C4=COCCO4)[C@H]3C2)n1 1056100796 UOUXTMMTUNELIM-UWVGGRQHSA-N 313.317 -0.213 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)[C@H]1CCCN1C 1057439544 RBAPNSCWQCTCKX-CQSZACIVSA-N 309.410 -0.179 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)[C@H]1CCCN1C 1057516872 BQEMSHCNKJSYFG-CQSZACIVSA-N 309.410 -0.323 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)[C@H]1CC[C@@H]1C(N)=O 1057525254 MKAXOKXNCNDAEK-STQMWFEESA-N 323.393 -0.906 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)CCn1cccn1 1058652613 BDODIYKJQAKWAT-LBPRGKRZSA-N 307.354 -0.630 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)CN(C)C1CCC1 1058660914 KOMIQKNJBOBMTQ-GFCCVEGCSA-N 310.398 -0.433 30 20 DBED C=CCOCC(=O)N1CC[C@H](CCNC(=O)Cn2ncnn2)C1 1059337258 DLKNAFVZRNVOFM-LBPRGKRZSA-N 322.369 -0.770 30 20 DBED C=CCOCC(=O)NCC[C@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1 1059343965 JWCZSRYUWMDDBP-QWHCGFSZSA-N 323.393 -0.178 30 20 DBED Cc1cc(=N[C@H]2C[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)c(C#N)c[nH]1 1059413763 XMDWLDRQMUIXSH-LPWJVIDDSA-N 313.361 -0.136 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1COC(=O)N1 1061565869 ANRCGDGULUGTGN-NEPJUHHUSA-N 323.349 -0.902 30 20 DBED COC(=O)NCC(=O)N1CCOC[C@@H]1CNC(=O)C#CC1CC1 1061569782 LSTOZVKQOCPZID-LBPRGKRZSA-N 323.349 -0.901 30 20 DBED N#Cc1cnc(N2CC[C@H](CNC(=O)[C@@H]3CCNC3=O)C2)cn1 1061695664 UMQZZJXLMBRDHB-ZYHUDNBSSA-N 314.349 -0.573 30 20 DBED CCCN(C)CC(=O)NC[C@H]1COCCN1C(=O)[C@H](C)C#N 1061740757 FWWMZFRDDKCTMA-OLZOCXBDSA-N 310.398 -0.169 30 20 DBED C=CCCC(=O)N1CCOC[C@@H]1CNC(=O)[C@]1(C)CCC(=O)N1 1061879543 PDULHDGZSLGGBE-LRDDRELGSA-N 323.393 -0.035 30 20 DBED C[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(C#N)cn1)n1cncn1 1062477830 WRHQPPHVVRWDJS-WXHSDQCUSA-N 324.348 -0.010 30 20 DBED CNC(=O)CC(=O)NC1(CNC(=O)c2c[nH]c(C#N)c2)CCC1 1062828813 NGWRXTYNNHTADX-UHFFFAOYSA-N 317.349 -0.209 30 20 DBED N#Cc1nccc(N2CC[C@H]3[C@@H]2CCCN3C(=O)CC(N)=O)n1 1066126330 FHEWZQRZTCLPPK-QWRGUYRKSA-N 314.349 -0.207 30 20 DBED N#CCN1CC[C@@H](c2n[nH]cc2CNC(=O)c2cnn[nH]2)C1 1070415882 GMIJOLVYCFLRLP-SECBINFHSA-N 300.326 -0.229 30 20 DBED C#CCCCC(=O)N1CCC[C@@H](NC(=O)CS(C)(=O)=O)C1 1070668990 RSYOWGPEPFCRNH-GFCCVEGCSA-N 314.407 -0.058 30 20 DBED N#CCN1C[C@H]2C[C@H]3CN(C(=O)CC4OCCCO4)C[C@@]3(C1)O2 1070790284 VMWYYVBWSYBOSW-WOSRLPQWSA-N 321.377 -0.035 30 20 DBED CC#CCN1C[C@H]2C[C@H]3CN(C(=O)[C@@H]4CCNC4=O)C[C@@]3(C1)O2 1070835475 KXBJWUTYNPCZML-ZOMKSWQUSA-N 317.389 -0.553 30 20 DBED CC#CCCCC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CNC(=O)N2)C1 1071208159 XSWSKRAKZCYUMG-OLZOCXBDSA-N 320.393 -0.031 30 20 DBED CNC(=O)NCC(=O)N[C@@H]1CN(C(=O)C#CC(C)C)C[C@@H]1C 1072053255 VDZKRSKGNDNABI-NWDGAFQWSA-N 308.382 -0.462 30 20 DBED CC(C)C#CC(=O)N1CC[C@H](NC(=O)CNC(N)=O)[C@H](C)C1 1073704023 CNSFAOQABLXOKC-NEPJUHHUSA-N 308.382 -0.333 30 20 DBED N#CCN1CCCO[C@H](CNC(=O)c2ccn3nnnc3c2)C1 1073726098 DHFGKMKNVBCOCR-GFCCVEGCSA-N 315.337 -0.531 30 20 DBED Cc1nnc(CC(=O)N2CC[C@H]3OCCN(CC#N)[C@H]3C2)o1 1074233840 XLZQVDLQWPFMQS-NWDGAFQWSA-N 305.338 -0.254 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2COCCN2C)C1 1076907592 VAIUOBOTLGSWGR-IJLUTSLNSA-N 303.790 -0.769 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCN2C(=O)C(C)(C)C)C1 1077040522 YXCGTFBCVAZMOH-MGPQQGTHSA-N 321.421 -0.182 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC(=O)N(CC(C)C)C2)C1 1077087448 IQCWBWSTXYMRJA-RBSFLKMASA-N 321.421 -0.325 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)[C@H](C)N2C(=O)CCC2=O)C1 1077087915 USBBNRKTODHRLF-YNEHKIRRSA-N 323.393 -0.349 30 20 DBED C#Cc1ccccc1CC(=O)N[C@@H]1CN([C@H](C)C(N)=O)C[C@H]1O 1078082282 ILBVHOTUBHJFOT-KCPJHIHWSA-N 315.373 -0.755 30 20 DBED C[C@@H](CCNC(=O)[C@H](C)C#N)NC(=O)c1cn(C)c(=O)n1C 1078135221 UISALYVKXFUBBC-ZJUUUORDSA-N 307.354 -0.492 30 20 DBED CCN(C(=O)CSCC#N)C1CN(C(=O)CNC(C)=O)C1 1079342388 LQYZEXQNWPBSKU-UHFFFAOYSA-N 312.395 -0.561 30 20 DBED C#CCCCC(=O)N(CC)C1CN(C(=O)c2nnn(C)n2)C1 1079681883 GYGGMBRBJWTPRK-UHFFFAOYSA-N 304.354 -0.314 30 20 DBED C=C(Cl)CN1C[C@@H](NC(=O)[C@H]2COC(=O)N2)[C@H](OC)C1 1081611802 CJVGQHVZXZDBHE-OPRDCNLKSA-N 303.746 -0.337 30 20 DBED C#CCCCC(=O)N1C[C@H](CNC(=O)Cc2ncc[nH]2)[C@@H](O)C1 1081693117 OGWXQTNGDAOMDA-STQMWFEESA-N 318.377 -0.309 30 20 DBED C[C@H](C(N)=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1c[nH]c(C#N)c1 1083057203 WZDDBBYHKAQPEN-JIMOISOXSA-N 317.349 -0.715 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H](C)S(C)(=O)=O 1083121194 YOUBXRRFIKBVFB-RWMBFGLXSA-N 314.407 -0.646 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](NC(=O)c2cn(CCOC)nn2)C1 1083455180 PYUCYPWRFFDSBN-OCCSQVGLSA-N 323.397 -0.334 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)Cc2c(C)nn(C)c2C)C1 1083681107 LYQYYSYRMDHJDS-CABCVRRESA-N 304.394 -0.236 30 20 DBED C=C1CCC(C(=O)N[C@@H]2CN([C@@H]3CCNC3=O)C[C@@H]2O)CC1 1083754406 PXBNZBHZWXRJFH-MCIONIFRSA-N 307.394 -0.217 30 20 DBED C=CCCN1CC[C@@H]2CN(C(=O)CN3CC(=O)NC3=O)[C@@H]2C1 1084725350 VGIZLIRAUUSQJT-VXGBXAGGSA-N 306.366 -0.353 30 20 DBED CC(=O)NCC(=O)N[C@H]1CC[C@@H](C)N(c2cnc(C#N)cn2)C1 1089105302 IKTYJKAKNOOFHY-PWSUYJOCSA-N 316.365 -0.042 30 20 DBED C[C@H]1[C@@H](Nc2ccc(C#N)nn2)CCN1C(=O)CNC(N)=O 1090193394 JTAMAHWGCXLLJA-WPRPVWTQSA-N 303.326 -0.582 30 20 DBED COCCCCC(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1O 1090374507 ZTASXOUUFOPRIV-CHWSQXEVSA-N 319.365 -0.169 30 20 DBED CC(C)(C)C(=O)C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1O 1090405775 TXAFFFFGNUBFPH-GHMZBOCLSA-N 317.349 -0.371 30 20 DBED CO[C@@H](C(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1O)C1CC1 1090413825 ZELATKQTYWTXIM-YRGRVCCFSA-N 317.349 -0.561 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2ccc3nonc3c2)[C@H](O)C1 1090537699 BQRJPYSLOBQXQE-DGCLKSJQSA-N 301.306 -0.089 30 20 DBED C=CCN1CC[C@H](NC(=O)Cn2ccc(C)cc2=O)[C@@H](O)C1 1090609037 JDYPTGXGXSBMOP-KBPBESRZSA-N 305.378 -0.106 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2cnn(CC3CC3)c2)[C@H](O)C1 1090708598 VRYWDLBEUDZQGC-ZIAGYGMSSA-N 303.366 -0.018 30 20 DBED CCOCC(=O)N[C@@H]1CCN(c2nccnc2C#N)C[C@H]1O 1092128630 JPDJDVSGAPVKFK-ZYHUDNBSSA-N 305.338 -0.559 30 20 DBED C#CCNC(=O)CC(=O)N1CCN(c2ccc(C#N)nc2)CC1 1093148249 AYPRVLWSNFUGJM-UHFFFAOYSA-N 311.345 -0.259 30 20 DBED COc1c(C(=O)NCCNc2cnc(C#N)cn2)cnn1C 1093790915 WKGAYDIOHAQLTQ-UHFFFAOYSA-N 301.310 -0.068 30 20 DBED N#Cc1cncc(NCCNC(=O)c2nc3ncccn3n2)n1 1093814927 JPMZRUYLNYXYFX-UHFFFAOYSA-N 309.293 -0.372 30 20 DBED COc1nn(C)cc1C(=O)NCCN=c1cc[nH]cc1C#N 1094033436 NPSIZJQYYURROZ-UHFFFAOYSA-N 300.322 -0.041 30 20 DBED CC[C@]1(C(=O)NCCNc2cncc(C#N)n2)CCNC1=O 1094219519 YLPASIJBRNOIJC-AWEZNQCLSA-N 302.338 -0.207 30 20 DBED CN1CCOC[C@@H]1C(=O)NCCCN=c1cc[nH]cc1C#N 1094395087 AHIBHYUZZATINS-CQSZACIVSA-N 303.366 -0.376 30 20 DBED N#CCN1CC(N2C[C@H](NC(=O)[C@@H]3C[C@H]3C3CC3)CC2=O)C1 1094795345 NJTQISPFRJRZMQ-KWCYVHTRSA-N 302.378 -0.043 30 20 DBED N#CCN1CC(N2C[C@H](NC(=O)c3ncccc3F)CC2=O)C1 1094802425 AIPZSRBXYJWBLE-SNVBAGLBSA-N 317.324 -0.241 30 20 DBED CCS(=O)(=O)CC(=O)N1CC[C@@H](N=c2cc[nH]c(C#N)n2)C1 1095043142 OFGMGKAAFGXWDJ-SNVBAGLBSA-N 323.378 -0.782 30 20 DBED N#Cc1ccc(N(CCCNC(=O)CC(N)=O)C2CC2)nn1 1096017766 GYCRBHYBSYFFGI-UHFFFAOYSA-N 302.338 -0.301 30 20 DBED N#Cc1cnc(N2CC[C@@H](NC(=O)CO[C@H]3CCOC3)C2)cn1 1096438962 ACKBAFDDSSGVTD-YPMHNXCESA-N 317.349 -0.151 30 20 DBED CNC(=O)NCC(=O)N[C@@H]1CCN(c2ccc(C#N)nc2)C1 1096492994 HDFJIHAOANXZMR-LLVKDONJSA-N 302.338 -0.423 30 20 DBED CS(=O)(=O)CC(=O)N[C@H]1C[C@@H](Nc2cncc(C#N)n2)C1 1097152280 ACZIPBIXGNUFKB-DTORHVGOSA-N 309.351 -0.548 30 20 DBED Cc1[nH]nc(C(=O)NC[C@H](C)N=c2cc[nH]c(C#N)n2)c1O 1097804420 NUTXVJSFUNRESR-ZETCQYMHSA-N 301.310 -0.262 30 20 DBED CNC(=O)CCCCC(=O)NC[C@H](C)N=c1cc[nH]c(C#N)n1 1097899326 BENMDBAPINZELY-NSHDSACASA-N 318.381 -0.007 30 20 DBED C[C@@H](CNC(=O)c1ccn2nnnc2c1)N=c1cc[nH]c(C#N)n1 1098187306 RXBLRHQSYPWSBF-VIFPVBQESA-N 323.320 -0.562 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCC(N(CCO)C[C@H](C)O)CC1 1098354333 SOVYWLAZIMYRRB-BBRMVZONSA-N 314.426 -0.020 30 20 DBED C#CCNCc1cn([C@H]2CCN(C(=O)C3=COCCO3)C2)nn1 1098608189 PJVZUJUPLUUNSJ-ZDUSSCGKSA-N 317.349 -0.338 30 20 DBED C[C@@H](CCNC(=O)Cn1cnnc1O)Nc1ccc(C#N)nn1 1098989192 KAJSFMVFQSCCLF-VIFPVBQESA-N 316.325 -0.348 30 20 DBED C[C@H](CCNC(=O)[C@@H]1CNC(=O)N1)Nc1cncc(C#N)n1 1099682779 OYBUGAXRJYOGKY-SCZZXKLOSA-N 303.326 -0.664 30 20 DBED CNC(=O)NCC(=O)NCC[C@@H](C)N=c1cc(C)[nH]cc1C#N 1099748123 PZSHYPVUMCYGEN-SNVBAGLBSA-N 318.381 -0.081 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)Cc2ccon2)[C@@H](O)C1 1099755871 SUOPBRRCIGQACP-STQMWFEESA-N 322.365 -0.929 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCN(Cc2cnsn2)C[C@H]1O 1099833220 SPSHZBQUSHAUAP-CHWSQXEVSA-N 324.406 -0.371 30 20 DBED COC(=O)[C@@H]1C[C@H]1C(=O)NCCN(C)c1nccnc1C#N 1099961412 SDVKMDFZYCOBCF-NXEZZACHSA-N 303.322 -0.290 30 20 DBED C#CCCN1CC[C@@H](NC(=O)COC2CCOCC2)[C@H](O)C1 1100024964 RKKWITIUSLZFAH-HUUCEWRRSA-N 310.394 -0.243 30 20 DBED C#CCCN1CC[C@@H](NC(=O)C(=O)NCC(F)(F)F)[C@@H](O)C1 1100052887 GJGNXSBGGTXWRB-ZJUUUORDSA-N 321.299 -0.760 30 20 DBED N#CCNC(=O)CNC1CC(CNC(=O)c2cscn2)C1 1100178708 VKVNFWJEFKTCEX-UHFFFAOYSA-N 307.379 -0.119 30 20 DBED CCN(CCNC(=O)[C@H]1CCN(C)C1=O)c1nccnc1C#N 1100682042 RJBGLFYVESUCJT-LLVKDONJSA-N 316.365 -0.231 30 20 DBED CCN(CCNC(=O)[C@@H]1CC[C@H]1C(N)=O)c1ccc(C#N)nn1 1100694567 DDURNCAPLHCXMI-VXGBXAGGSA-N 316.365 -0.198 30 20 DBED CCCN(CCNC(=O)[C@H]1CCC(=O)N1)c1nccnc1C#N 1101107807 XGRVHSCVQNWEAR-LLVKDONJSA-N 316.365 -0.041 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CN(C(=O)CCN(C)C)C[C@]2(C)C1 1101351744 MFMUDBSUTXCTCA-PBHICJAKSA-N 320.437 -0.532 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)[C@H](C)NC(N)=O)c3nccn32)C1 1101623490 DJOKYZHKEASOFH-WDEREUQCSA-N 316.365 -0.855 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1CNC(=O)[C@]1(C)CCOC1 1102481672 RMRGNASUXZPOTF-XJKCOSOUSA-N 322.409 -0.263 30 20 DBED CC[C@H](CNC(=O)[C@H](C)NC(N)=O)Nc1cnc(C#N)cn1 1103045527 AEHUIHICLSBJKN-DTWKUNHWSA-N 305.342 -0.288 30 20 DBED CCC(=O)NCC(=O)N1CCC(OC2CN(CC#N)C2)CC1 1105699259 ZVYWLLODTIVFIN-UHFFFAOYSA-N 308.382 -0.272 30 20 DBED CC(C)CO[C@@H](C)C(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1 1105727370 MJZZNTVNJRMHQH-NWDGAFQWSA-N 321.381 -0.280 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](O)CNC(=O)c2ccnn2C)n1 1105740174 UYTBPPGVEUMGPT-NSHDSACASA-N 315.337 -0.407 30 20 DBED C=CCOCC(=O)NC[C@H](O)CNc1ncc(C(=O)OC)cn1 1105748592 WVRVFSFNJQPVFL-NSHDSACASA-N 324.337 -0.645 30 20 DBED Cc1cc(=NC[C@H](O)CNC(=O)c2n[nH]cc2C)c(C#N)c[nH]1 1105825439 FZASMZUMTKQDCR-LBPRGKRZSA-N 314.349 -0.082 30 20 DBED CO[C@@H](C)CC(=O)N1C[C@@H](C)[C@H](CNCC(=O)NCC#N)C1 1105919074 CGCLQPVYOGIOAG-FRRDWIJNSA-N 310.398 -0.265 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)CCn2ccnc2)nn1 1106039332 QJHWOHZHLJOAPS-LBPRGKRZSA-N 315.337 -0.476 30 20 DBED C=CCNC[C@@H]1CN(C(=O)CN2C(=O)C(=O)N(C)C2=O)C[C@H]1C 1106723267 DVKYKPQEXSJHGK-GHMZBOCLSA-N 322.365 -0.723 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC(n2cc(CNC(=O)CC)nn2)C1 1107113395 KJVCQUBVKXEQAR-LLVKDONJSA-N 318.381 -0.701 30 20 DBED Cc1cc(=NC[C@@H](C)NC(=O)[C@@H]2CCNC2=O)c(C#N)c[nH]1 1108039450 DHLKJKQOWWALFP-ZYHUDNBSSA-N 301.350 -0.264 30 20 DBED C[C@@]1(CNC(=O)CC(=O)NCC2CC2)CN(CC#N)CCO1 1108333077 LZGPFXRUMCQHON-OAHLLOKOSA-N 308.382 -0.367 30 20 DBED COCC(=O)N(C)CC(=O)N[C@@H](C)CNc1nccnc1C#N 1108745894 UEPONXJLVCYHOA-JTQLQIEISA-N 320.353 -0.630 30 20 DBED N#Cc1cncc(NC[C@H](NC(=O)[C@@H]2CCC(=O)N2)C2CC2)n1 1109880453 LCBQDZYABZDVQY-RYUDHWBXSA-N 314.349 -0.066 30 20 DBED C[C@H]1C[C@@H](Nc2ccc(C#N)nn2)CCN1C(=O)CNC(N)=O 1110507760 QTIRMGGXLRRKNE-UWVGGRQHSA-N 317.353 -0.192 30 20 DBED C[C@@H](CC(N)=O)C(=O)N[C@@]1(C)CCN(c2cnc(C#N)cn2)C1 1110802462 OKAROVBZBZVZQF-BONVTDFDSA-N 316.365 -0.055 30 20 DBED CC(=O)NCC(=O)N(CCO)CCNc1ncccc1C#N 1111421722 RFAIYWSYNJNFFM-UHFFFAOYSA-N 305.338 -0.678 30 20 DBED Cn1cnc(C(=O)N(CCO)CCNc2ccc(C#N)nc2)n1 1111460616 CITTZRLYRJQCQB-UHFFFAOYSA-N 315.337 -0.372 30 20 DBED N#Cc1ccc(NCCN(CCO)C(=O)[C@@H]2[C@H]3COC[C@H]32)nn1 1111536206 HBSHFLVORIRRCP-IMRBUKKESA-N 317.349 -0.527 30 20 DBED N#Cc1cnc(NCCN(CCO)C(=O)[C@@]2(F)CCOC2)cn1 1111546269 BZIPMLUSOMSBBE-CQSZACIVSA-N 323.328 -0.290 30 20 DBED COCC#CCN1CCC2(CC1)CN(C(=O)C(N)=O)C[C@H](C)O2 1111549116 ONBSNDSUAPDPNW-ZDUSSCGKSA-N 323.393 -0.797 30 20 DBED CO[C@@H](C)C(=O)NC[C@@H]1COCCN1c1cnc(C#N)cn1 1111656732 IQBUVNFZFIPVIB-CMPLNLGQSA-N 305.338 -0.295 30 20 DBED CNC(=O)CC(=O)NC[C@H](C)N(C)c1nc(C)cc(C#N)n1 1113572522 XWOXDPACJWCOQK-JTQLQIEISA-N 304.354 -0.266 30 20 DBED C[C@@H](CNC(=O)[C@H](C)CC(N)=O)N(C)c1nccnc1C#N 1113800230 YFBIZTXIVFSFHG-ZJUUUORDSA-N 304.354 -0.199 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)COCCCC)[C@H]2C1 1114081737 DNGJMYRKTNXDQL-STQMWFEESA-N 307.394 -0.401 30 20 DBED COC[C@@H](O)CN1C[C@H]2[C@H](NC(=O)c3cc(C#N)c[nH]3)[C@H]2C1 1114103716 ONECHMDVNITDBP-CIQGVGRVSA-N 304.350 -0.446 30 20 DBED C#CCCCC(=O)NC1[C@@H]2CN([C@H](C)C(=O)NC(=O)NC)C[C@@H]12 1114201186 LCEZXVMRVAHDQN-IJLUTSLNSA-N 320.393 -0.320 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3ccc(C)nn3)[C@H]2C1 1114246481 UFYODUTVTSQFAY-RYUDHWBXSA-N 313.361 -0.806 30 20 DBED C#CCO[C@H](C)C(=O)NC1[C@H]2CN(CC(=O)NCC=C)C[C@H]12 1114270286 CNYWWQRDSVYGGA-AGIUHOORSA-N 305.378 -0.627 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H]1[C@@H]2CN(CCNC(=O)C3CC3)C[C@@H]21 1114273509 NUVGDNKWGQUWLX-RZFFKMDDSA-N 319.405 -0.403 30 20 DBED N#Cc1cnc(N2C[C@H]3CC[C@H]2CN3C(=O)CNC(N)=O)cn1 1114381862 LHURQWZXTIBIGP-WDEREUQCSA-N 315.337 -0.804 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)C[C@@H]3CCCC(=O)N3)[C@H]2C1 1114540685 VSTQFORWTFRSRZ-SZOQZIPDSA-N 319.405 -0.259 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)[C@H](OC)C(C)C)[C@@H]2C1 1114782003 ZYTWSAPZIPTYQH-LALPHHSUSA-N 307.394 -0.547 30 20 DBED C=CCn1cc(C(=O)N2CCC(NS(C)(=O)=O)CC2)nn1 1118208725 VKPSAVOCFRESFL-UHFFFAOYSA-N 313.383 -0.382 30 20 DBED N#Cc1ccc(CCNC(=O)C(=O)N2CCO[C@H](C#N)C2)cc1 1118444363 LJSCCLZNLRCZKF-CQSZACIVSA-N 312.329 -0.032 30 20 DBED C=CCOCCNC(=O)C(=O)N1CCC(NC(=O)C2CC2)CC1 1118561876 AFJVVWVDCKEGJO-UHFFFAOYSA-N 323.393 -0.178 30 20 DBED C[C@H](CN(C)C(=O)[C@H]1CCN(C)C1=O)N=c1cc[nH]c(C#N)n1 1120485657 KDWGHPFUONIFPQ-MNOVXSKESA-N 316.365 -0.493 30 20 DBED Cc1cc(C(=O)NC[C@H](CO)N=c2cc[nH]c(C#N)n2)n(C)n1 1121150062 GKIYTLPHUCPZLG-SNVBAGLBSA-N 315.337 -0.985 30 20 DBED N#Cc1c(Cl)nsc1N[C@H](CO)CNC(=O)CC(N)=O 1121258882 YZSASADHWPSIFO-YFKPBYRVSA-N 317.758 -0.567 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)[C@@H]2CCNC(=O)C2)cn1 1121310864 LYTXGAFLTZZWIJ-MFKMUULPSA-N 317.349 -0.632 30 20 DBED COc1ccnc(N[C@H](CO)CNC(=O)c2c[nH]c(C#N)c2)n1 1121353729 WLHKEVLZLYBJFM-NSHDSACASA-N 316.321 -0.112 30 20 DBED C=CCn1c(CO)nnc1N1CCN(CC(=O)NCC)CC1 1121599579 WFDWFWXXNMHGGO-UHFFFAOYSA-N 308.386 -0.786 30 20 DBED CCC[C@H](OC)C(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1 1122318974 YFACIPKYFMGPMC-MNOVXSKESA-N 307.354 -0.526 30 20 DBED Cc1nc(N[C@@H](CO)CNC(=O)[C@@H]2CCNC2=O)ccc1C#N 1122354860 JVZSEYCWFJLXJU-VXGBXAGGSA-N 317.349 -0.713 30 20 DBED N#Cc1cncc(N[C@@H](CO)CNC(=O)c2csc(O)n2)n1 1122435849 CJLMBZPUMUUWEJ-MRVPVSSYSA-N 320.334 -0.287 30 20 DBED Cc1cc(C#N)nc(N[C@@H]2CCN(C(=O)CNC(N)=O)[C@@H]2C)n1 1122933602 YRKLPYZFJNNXNT-MWLCHTKSSA-N 317.353 -0.274 30 20 DBED C[C@@H]1[C@@H](NC(=O)CC(N)=O)CCCN1c1ccc(C#N)nn1 1123521373 FHFXFNIIRWCCQX-KOLCDFICSA-N 302.338 -0.303 30 20 DBED CC(=O)NCC(=O)N(C)C[C@@H](O)CNc1ccc(C#N)nc1 1124085863 CNKFITKHNOLPQJ-ZDUSSCGKSA-N 305.338 -0.679 30 20 DBED CN(C[C@@H](O)CNc1nccnc1C#N)C(=O)c1ccncn1 1124466494 SACTXBVXUKRDLH-JTQLQIEISA-N 313.321 -0.317 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]cc1C#N)C(=O)[C@@]12COC[C@@H]1C2 1124822582 SAHIJXZRUHOEPW-ZENOOKHLSA-N 316.361 -0.357 30 20 DBED C[C@@H](C#N)C(=O)NCCNCCCN1C(=O)NC(C)(C)C1=O 1124907846 ATKVRAULXCGCDQ-JTQLQIEISA-N 309.370 -0.428 30 20 DBED CN(C)CCC(=O)N(C)C[C@H](O)CN(C)c1cncc(C#N)n1 1125253471 DTONKZWKFMTJAX-CYBMUJFWSA-N 320.397 -0.445 30 20 DBED CNC(=O)CC(=O)N(C)C1CC(N=c2cc[nH]cc2C#N)C1 1126896327 KVHCIHIVSLTXPH-UHFFFAOYSA-N 301.350 -0.087 30 20 DBED C#CCOCCC(=O)NCCNCc1nnc(C2CC2)n1C 1127027585 VFDZBCLGMCBDHN-UHFFFAOYSA-N 305.382 -0.062 30 20 DBED C#CCNCc1nnc2n1CC[C@@H](NC(=O)c1cn[nH]c1)CC2 1127938398 IXNLCFDBAGYLMI-LBPRGKRZSA-N 313.365 -0.141 30 20 DBED CC#CCN1CCn2ncc(CNC(=O)CC(=O)NC)c2C1 1128321047 FAJHEXPBXJFUAO-UHFFFAOYSA-N 303.366 -0.526 30 20 DBED C#CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)CN(CC)CC)C1 1129337706 VDRYSQIKUNNXFA-CABCVRRESA-N 318.425 -0.015 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)C[C@@H](C)COC)C1 1129360275 XXEJWMYLXYUNMM-MCIONIFRSA-N 305.382 -0.075 30 20 DBED N#Cc1ccccc1CNCCNC(=O)C[C@@H]1NC(=O)NC1=O 1129743705 UIEZPQDCKNPAAO-LBPRGKRZSA-N 315.333 -0.638 30 20 DBED C=CCCN[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1n1ccnn1 1130050162 LSXXFEDQGUORLD-MNOVXSKESA-N 302.342 -0.372 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)CCc2cncnc2)C1=O 1131348936 UYADOBLIGYCCPV-AWEZNQCLSA-N 317.393 -0.098 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)[C@]2(C)CNC(=O)C2)C1=O 1131690061 QALGPNIHMSZDHL-ABAIWWIYSA-N 308.382 -0.995 30 20 DBED C#CCN1CCN([C@@H]2CCCN(C(=O)CCOC)C2)C(=O)C1 1131703613 FQUUDBJZCJBJCU-CQSZACIVSA-N 307.394 -0.209 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2cn(C)nn2)CC[C@H]1C 1131998701 HYDCLKNQDOIIFL-NEPJUHHUSA-N 318.381 -0.853 30 20 DBED C[C@@H]1CC[C@H](NC(=O)c2ncn(C)n2)CN1CC(=O)NCC#N 1132001580 AZAUZSAJXLADJD-MNOVXSKESA-N 319.369 -0.962 30 20 DBED C=CCNC(=O)CN1C[C@H](NC(=O)c2nc[nH]n2)CC[C@@H]1C 1132369445 XGMYBAWINVSGOJ-WDEREUQCSA-N 306.370 -0.310 30 20 DBED C#CCNC(=O)CNC[C@H]1CN(C(=O)c2cnon2)CC[C@@H]1C 1133182979 WHYXKCCUWRFMTK-RYUDHWBXSA-N 319.365 -0.493 30 20 DBED C[C@@H](C[C@@H](C)NCC(=O)NCC#N)NC(=O)c1cncn1C 1134884878 NZEIKHAFGNRTCT-MNOVXSKESA-N 306.370 -0.454 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CN(Cc2cnnn2C)CCCO1 1149406611 JMAQOXVBLIYUMY-WCQYABFASA-N 306.370 -0.318 30 20 DBED C=CCN1CCCO[C@@H](CNC(=O)Cn2ccc(O)nc2=O)C1 1149952314 AZAPUDUZLJPGGQ-LBPRGKRZSA-N 322.365 -0.658 30 20 DBED C=CCO[C@@H](C)C(=O)NCCNCCCS(=O)(=O)N(C)C 1153149565 YQJYZZNMODQSSG-LBPRGKRZSA-N 321.443 -0.435 30 20 DBED N#Cc1ccc(F)c(CNCCCNC(=O)Cn2cnnn2)c1 1154503662 WVIIVWWWZQDLIZ-UHFFFAOYSA-N 317.328 -0.020 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)NCCCNC(=O)c1cocn1 1155735687 HDULNBSAGGTMBY-JTQLQIEISA-N 323.353 -0.216 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)CCCC(N)=O 1157274226 PSQYPLDNTYGRAJ-GFCCVEGCSA-N 310.398 -0.782 30 20 DBED CNC(=O)Cc1noc(CNCCCNC(=O)C#CC(C)C)n1 1157643865 GETNICHESYKFBI-UHFFFAOYSA-N 321.381 -0.387 30 20 DBED C=C[C@@H](C)[C@H](C)C(=O)NCCCNCC(=O)N1CCNC(=O)C1 1164223996 ZAXQFSVSBUNMRY-OLZOCXBDSA-N 324.425 -0.501 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)CCCCN(C)C 1171585487 WJVIJXZAHKMECR-AWEZNQCLSA-N 310.442 -0.048 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CN(C)CCO2)[C@H]1C 1178414184 GONGPVLIWJNIMO-IHRRRGAJSA-N 324.425 -0.802 30 20 DBED C[C@H]1[C@@H](NCC(=O)NC(N)=O)CCN1C(=O)c1c[nH]c(C#N)c1 1178493894 IQTZKAJWBYLCAA-KWQFWETISA-N 318.337 -0.726 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)c2ncn(C)n2)[C@H]1C 1178615034 FEUVHVHMMRLJQL-QWRGUYRKSA-N 306.370 -0.690 30 20 DBED C[C@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)CO[C@@H]1CCOC1 1178671986 UXXKEXYFXVJYKQ-XQQFMLRXSA-N 324.381 -0.989 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)CCN(C)CC)[C@H]1C 1179856496 CGTXUHVXOGAGCQ-KBPBESRZSA-N 308.426 -0.343 30 20 DBED C[C@H]1CN(C(=O)CN2CC(=O)NC2=O)CC[C@H]1CNCC#N 1185328207 VZXTYMHVDLLEJT-QWRGUYRKSA-N 307.354 -0.864 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2cn(C)c(O)n2)C1 1185416449 VXRFLCNOOAEQLD-WDEREUQCSA-N 321.381 -0.380 30 20 DBED C=CCCn1cc(C(=O)N2CC[C@@H](NC[C@H](O)COC)C2)nn1 1186221481 LUCIFDKSZOABPJ-OLZOCXBDSA-N 323.397 -0.334 30 20 DBED N#CCNC(=O)CN[C@@H]1CCN(C(=O)CCN2CCCCC2)C1 1188118009 CKQMRVJABWGGIS-CQSZACIVSA-N 321.425 -0.307 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)COC[C@H]2CCCO2)C1 1188438258 LCUYEOQXXJCMQD-ZIAGYGMSSA-N 323.393 -0.878 30 20 DBED C=CCOCC(=O)N1CC[C@H](N(C)CCNS(C)(=O)=O)C1 1189363602 NMBHWWRQUQMJHY-LBPRGKRZSA-N 319.427 -0.729 30 20 DBED C=CCNC(=O)[C@H](C)N(C)[C@@H]1CCN(C(=O)c2cn(C)nn2)C1 1189964730 VHZOJCMHSBXJBJ-NWDGAFQWSA-N 320.397 -0.348 30 20 DBED C=CCO[C@H](C)C(=O)N1CC[C@H]2CN(CC(=O)NCC#N)C[C@H]21 1190441455 VBCSVKJMISKGLO-HZSPNIEDSA-N 320.393 -0.250 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3[nH]cnc3C)[C@@H]2C1 1190535093 OGJNLEGMUQLBSW-QWHCGFSZSA-N 315.377 -0.386 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)/C=C(\C)C2CC2)C1 1191410289 YPUJGLRTMDEGCE-VAZNYKRKSA-N 307.394 -0.194 30 20 DBED COc1ncccc1CN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)C#N)C1 1191854708 PPXSOGYWJBIFCU-CYZMBNFOSA-N 304.350 -0.089 30 20 DBED CC#CCN(C)[C@@H]1CCN(C(=O)CN2CC(=O)N(C)C2=O)C1 1193442919 RXBMPXSXFIGIPL-GFCCVEGCSA-N 306.366 -0.564 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C2CC3(CCC3)C2)C1 1195423114 SREZWHJZKRORHI-ZIAGYGMSSA-N 319.405 -0.523 30 20 DBED COCC#CCN1CCCN(C(=O)c2cc(=O)n(C)cn2)CC1 1196192120 ZPTZNCYWBGUSHS-UHFFFAOYSA-N 318.377 -0.422 30 20 DBED CC(C)(NS(C)(=O)=O)C(=O)N1CCCN(CC#N)CC1 1197378561 BIYGCIHWWRWCTL-UHFFFAOYSA-N 302.400 -0.628 30 20 DBED COCC[C@H](C)C(=O)N1CCCN(CC(=O)NCC#N)CC1 1198176956 VYWQCGVBWPWAEY-ZDUSSCGKSA-N 310.398 -0.167 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCC(N[C@H]2CCC(=O)NC2=O)CC1 1200332598 BOOFSKFIEVDPHQ-LRDDRELGSA-N 323.393 -0.301 30 20 DBED C#CCCNC[C@H]1CN(C(=O)C(C)(C)NC(=O)NC)CCCO1 1202141814 SGDMZFBOXDNVGI-ZDUSSCGKSA-N 324.425 -0.076 30 20 DBED CC#CCN[C@H]1C[C@H](NC(=O)CN2CCNC(=O)C2)C12CCC2 1203256917 KIKHHLFHTOJPJC-KBPBESRZSA-N 318.421 -0.542 30 20 DBED CC#CCN[C@@H]1CCCN(C(=O)COCc2nncn2C)C1 1210417230 OHFPNCSSRPDFCJ-CYBMUJFWSA-N 305.382 -0.064 30 20 DBED COCC[C@H](C)C(=O)N1CCC[C@@H](NCC(=O)NCC#N)C1 1211162199 ZKMNAISEKSCEOW-QWHCGFSZSA-N 310.398 -0.121 30 20 DBED CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H]1CN(CC#N)C[C@H]1OC 1213895617 JJXBDNFULFJWJE-ASEORRQLSA-N 310.398 -0.124 30 20 DBED N#CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CC12CC2 1218682737 JBCBEWABMCMIDB-RWMBFGLXSA-N 318.377 -0.662 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)c2ccon2)C1 1219268019 SKNYXRQLAMGIAR-WCQGTBRESA-N 308.338 -0.860 30 20 DBED C=CCC[C@H](C)N1C[C@H](O)[C@H](NC(=O)CN2CCOCC2)C1 1219472332 KGDAFPZGJZKRHN-ZNMIVQPWSA-N 311.426 -0.165 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2cscn2)C[C@@H]1O 1219607454 NZEBHJWGVJLOTL-RTXFEEFZSA-N 309.391 -0.157 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)CCCn2ccnn2)C1 1219791083 SHHRDQLKTUQXGC-NEPJUHHUSA-N 313.789 -0.028 30 20 DBED C=CCCCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCN(C)C(=O)C2)C1 1219884454 DUPINNBMGNQRPW-MCIONIFRSA-N 309.410 -0.018 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@H](C)C(C)(F)F)C1 1220380339 ZIELRTIWECZVHV-AXFHLTTASA-N 317.336 -0.812 30 20 DBED CCNC(=O)NC(=O)[C@@H](C)N1CCC(NC(=O)[C@@H](C)C#N)CC1 1226617269 CTJVYPCLMCSZGR-WDEREUQCSA-N 323.397 -0.039 30 20 DBED C#CCNC(=O)CC(=O)NC1CCN(Cc2cn(C)nn2)CC1 1226961710 JYTGXAMBAZEAPS-UHFFFAOYSA-N 318.381 -0.965 30 20 DBED C[C@@H](CC(N)=O)C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCC#N 1227940072 FGFPQXVIDZEZGC-QJPTWQEYSA-N 323.397 -0.845 30 20 DBED CCS(=O)(=O)CC(=O)NC1CCN(CC#CCOC)CC1 1230359742 IGGISOZXOVPDCV-UHFFFAOYSA-N 316.423 -0.349 30 20 DBED CN(C[C@H]1CCN1Cc1nc(=O)n(C)[nH]1)C(=O)CSCC#N 1230815532 PBPYKGOSLCCNRW-SNVBAGLBSA-N 324.410 -0.602 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@H](NCC(=O)N(C)C2CC2)C1 1265429445 YMUXULPMKOWHAS-OLZOCXBDSA-N 307.394 -0.164 30 20 DBED C#CCOCCC(=O)O[C@@H](C)C(=O)N1CCC(C(N)=O)CC1 1319502805 HJKOKXVLGLXSGW-NSHDSACASA-N 310.350 -0.318 30 20 DBED O=S1(=O)CC[C@@H](NN=Cc2cn(Cc3cccnc3)nn2)C1 1320307763 JTPMGZBWVKVDBN-GFCCVEGCSA-N 320.378 -0.168 30 20 DBED C#CCNC(=O)C1CCN(C(=O)C2(C(=O)NC)CCC2)CC1 1322775128 URGRNGCEEVLYKX-UHFFFAOYSA-N 305.378 -0.109 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCC[C@@H](c2n[nH]c(C)n2)C1 1323025305 AYXOMEYJCBAVTF-GFCCVEGCSA-N 319.365 -0.415 30 20 DBED C=CCCOCCNC(=O)C(=O)N1CC[C@@H](S(C)(=O)=O)C1 1323439953 JJOXFBFHYUAXJD-LLVKDONJSA-N 318.395 -0.659 30 20 DBED C=CCNC(=O)[C@@H](C)S(=O)(=O)Cc1noc(COC)n1 1325058571 VEYJDSMBNONELZ-MRVPVSSYSA-N 303.340 -0.179 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N(C)Cc1ccon1 1325698160 SHDSUJLQQRSDNJ-UHFFFAOYSA-N 315.351 -0.650 30 20 DBED C[C@@H]1[C@H](C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CCN1C 1326385800 QHSWJMRHNCQONY-FKFYSAAKSA-N 306.366 -0.031 30 20 DBED CN(CC(=O)N1CCCC1)C(=O)C(=O)Nc1ccc(C#N)cn1 1327446323 ZPKPXNUENJMHBY-UHFFFAOYSA-N 315.333 -0.027 30 20 DBED C[C@H]1CN(C(=O)C(=O)N2CCN(CCC#N)CC2)C[C@]1(C)CO 1329507031 FRTWPEPJLYYOBU-XJKSGUPXSA-N 322.409 -0.479 30 20 DBED C=CCn1cc(CNC(=O)C(=O)NCc2cc(C)[nH]n2)nn1 1332045737 QWBHPESSAQTIIK-UHFFFAOYSA-N 303.326 -0.572 30 20 DBED C=CCn1c(-c2cn(CCO)nn2)nnc1N1CCCOCC1 1340641313 NTXGOGZLINVYDC-UHFFFAOYSA-N 319.369 -0.058 30 20 DBED C=CCn1c([C@@H](C)O)nnc1N(C)CC(=O)N1CCOCC1 1351691843 OQVIXBFTORVXNF-LLVKDONJSA-N 309.370 -0.188 30 20 DBED N#CC1CCN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CC1 1351827067 DSYDZUDPNMAKBW-AWEZNQCLSA-N 315.377 -0.053 30 20 DBED CN(C)C1(C(=O)NCCn2cc(C#N)c(O)nc2=O)CCCC1 1363287027 LVXPGQRJPVYTPZ-UHFFFAOYSA-N 319.365 -0.189 30 20 DBED Cn1c(=O)[nH]c(NC[C@H]2CCCS(=O)(=O)C2)c(C#N)c1=O 1364188045 FDKXVXXBPUQZBY-MRVPVSSYSA-N 312.351 -0.818 30 20 DBED CCN(CC)C(=O)CNC(=O)CCn1cc(C#N)c(O)nc1=O 1364717676 LGNZOIVUROYKMI-UHFFFAOYSA-N 321.337 -0.805 30 20 DBED C[C@@H](CNC(=O)c1cn(C)nn1)N(C)C(=O)c1ccc(C#N)[nH]1 1369834013 OLOQUKWYYKKFLI-VIFPVBQESA-N 315.337 -0.095 30 20 DBED C[C@H](C#N)C(=O)NC1CN(C(=O)[C@H]2CCc3nncn3C2)C1 1374750327 MZACJCMGRXMKRC-ZJUUUORDSA-N 302.338 -0.673 30 20 DBED CC(=O)N(C)CC(=O)N1CC[C@@H]1CNC(=O)c1cc(C#N)c[nH]1 1378303769 XQZXSQGUMZSKQQ-GFCCVEGCSA-N 317.349 -0.305 30 20 DBED N#Cc1c[nH]c(C(=O)NC2(CNC(=O)[C@H]3COCCO3)CC2)c1 1378657427 BTAFAAJDXZCSMN-GFCCVEGCSA-N 318.333 -0.320 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CCN(C(=O)CCN2CCOCC2)C1 1385614003 PISUBPJPXVDZQE-QWHCGFSZSA-N 308.382 -0.415 30 20 DBED C[C@H](CNC(=O)[C@H](C)C#N)NC(=O)c1cnc(N(C)C)cn1 1386458164 RJZWUPRXVCCKNT-NXEZZACHSA-N 304.354 -0.063 30 20 DBED CN(CCNC(=O)c1cn(C)nn1)C(=O)c1ccc(C#N)[nH]1 1387709057 UQEURXDIYBRFEM-UHFFFAOYSA-N 301.310 -0.483 30 20 DBED COCC(=O)N(C)CC(=O)NCC1(NC(=O)[C@@H](C)C#N)CC1 1389863447 CLYPQZRGKSBIII-JTQLQIEISA-N 310.354 -0.984 30 20 DBED CC[C@@H](CNC(=O)c1cnn(C)n1)NC(=O)c1cc(C#N)c[nH]1 1390552640 PMUAPUVBWKKLQX-JTQLQIEISA-N 315.337 -0.047 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CCN(C(=O)COCc2ccnn2C)C1 1396960227 WYZUPEBUZRFZIX-NEPJUHHUSA-N 319.365 -0.187 30 20 DBED CCN(CCC#N)C(=O)CNC[C@@H](C)NC(=O)[C@@H]1CCC(=O)N1 1401657770 IRRQUKCRFITNRV-NEPJUHHUSA-N 323.397 -0.879 30 20 DBED CC(C)(O)CC(=O)N[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1O 1414051924 ZSBWBDBVIAKCBQ-NEPJUHHUSA-N 320.349 -0.651 30 20 DBED Cc1ccn(CC(=O)NC[C@H](C)NC(=O)[C@@H](C)C#N)c(=O)c1 1415162919 SRBXFNYWDYNPBI-RYUDHWBXSA-N 304.350 -0.063 30 20 DBED C[C@H](C#N)C(=O)NC1CN(C(=O)[C@@H]2CCCCS2(=O)=O)C1 1416045739 HGADNHUAVRGOMI-KOLCDFICSA-N 313.379 -0.560 30 20 DBED CCCN(CCNC(=O)[C@H](C)C#N)C(=O)CN1CCOCC1=O 1429844610 KUWWXIDPQZFVND-GFCCVEGCSA-N 324.381 -0.640 30 20 DBED C[C@@H](C#N)C(=O)N(CCNC(=O)[C@H]1CCC(=O)NC1)C1CC1 1429939231 ZVDUEOPCINMGJG-QWRGUYRKSA-N 306.366 -0.221 30 20 DBED C[C@@H](C#N)C(=O)NC1CN(C(=O)Cc2ccc(C(N)=O)cc2)C1 1432336453 NFOPLYIAGALVOU-JTQLQIEISA-N 314.345 -0.185 30 20 DBED CCN(CC)C(=O)CNC[C@@H](O)CNC(=O)c1cc(C#N)c[nH]1 1438982977 PQORGWNNBGKOGH-GFCCVEGCSA-N 321.381 -0.565 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@]2(CCN(CC(=O)NC(N)=O)C2)C1 1446357421 VRHXGPYMNVSPCY-HZMBPMFUSA-N 307.354 -0.735 30 20 DBED N#CCNCC1CC(NC(=O)[C@@H]2CCCN2Cc2cnn[nH]2)C1 1577709894 HALXKJBXTVFESZ-YIZWMMSDSA-N 317.397 -0.223 30 20 DBED COC(COCCNc1cnc(C#N)c(-c2nn[nH]n2)n1)OC 1579595083 WEXSERIKFQRQSC-UHFFFAOYSA-N 320.313 -0.424 30 20 DBED COCCOC(=O)N(C)Cn1c(N)nc(C#N)c1-c1nn[nH]n1 1579816972 MHNGXBYFBHQUOU-UHFFFAOYSA-N 321.301 -0.811 30 20 DBED C#CCN(CC(=O)O)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O 1588410556 WZCOJUIYBKBCCS-MRVPVSSYSA-N 321.255 -0.121 30 20 DBED C#CCN(CC(=O)O)S(=O)(=O)CC1(OC)CCOCC1 1588425348 OKIMKDVMHFPMDG-UHFFFAOYSA-N 305.352 -0.468 30 20 DBED N#CCCCNCCS(=O)(=O)c1ccc(-c2nn[nH]n2)cn1 1592676510 UNRQPKJRZPHNSE-UHFFFAOYSA-N 321.366 -0.071 30 20 DBED N#Cc1ncc(N[C@@H](CO)[C@H]2CCOC2)nc1-c1nn[nH]n1 1592710748 XVUKHBAPDRVAPH-CBAPKCEASA-N 302.298 -0.662 30 20 DBED CN(C)c1cc(C#N)cc(C(=O)NS(=O)(=O)CC(=O)O)c1 1598288617 ZWQUTQYSUPXOLW-UHFFFAOYSA-N 311.319 -0.232 30 20 DBED COC(=O)CCN(CC#N)S(=O)(=O)CC1(CC(=O)O)CC1 1598855658 XCGBWXWNYCQVFP-UHFFFAOYSA-N 318.351 -0.040 30 20 DBED CO[C@@H]1CCN(C(=O)[C@@H](C)n2cnc(C#N)n2)[C@H](C(=O)O)C1 1599121729 ZLFDIHAWJOXHML-BBBLOLIVSA-N 307.310 -0.199 30 20 DBED O=C(NC1(C(=O)O)CC(CO)C1)c1cccc(C#CCO)c1 1608403418 CFULTWKVDGLVGN-UHFFFAOYSA-N 303.314 -0.014 30 20 DBED C#CCNC(=O)CN[C@H](CNC(=O)[C@H]1CCCCO1)C1CC1 1752454189 IODOAQGPTYADJV-ZIAGYGMSSA-N 307.394 -0.211 30 20 DBED C[C@@H](OCC1CC1)C(=O)N[C@H]1C[C@H](NCC(=O)NCC#N)C1 1752619322 JXPVBIQLHMLBAA-RAIGVLPGSA-N 308.382 -0.322 30 20 DBED C=CCNC(=O)CN1CC(NC(=O)[C@@H](C)Cc2cnn(C)c2)C1 1753390179 QCJQJEIMRBMYQF-LBPRGKRZSA-N 319.409 -0.299 30 20 DBED C=CCNC(=O)CN1CC(CNC(=O)c2cn(CC)cn2)C1 1753413353 AIOWHLZFJLTFMM-UHFFFAOYSA-N 305.382 -0.133 30 20 DBED C=CCNC(=O)[C@@H](C)NC[C@@H](C)CNC(=O)C1=COCCO1 1753611977 CZFMOFZCTHGJJT-VXGBXAGGSA-N 311.382 -0.093 30 20 DBED CC(C)C#CC(=O)NC[C@H](O)CNCC(=O)N(C)CC1CC1 1753909010 DLUYGALNAKUCHA-CQSZACIVSA-N 309.410 -0.419 30 20 DBED C=C(C)CCC(=O)NC[C@H](O)CNCC(=O)N1CCOCC1 1753912507 MYCQBMXNQJZERM-CYBMUJFWSA-N 313.398 -0.732 30 20 DBED CC#CCNC[C@@H](O)CNC(=O)[C@H]1CNC(=O)c2ccccc21 1753914051 OZAZDGXPXDNSMO-DOMZBBRYSA-N 315.373 -0.396 30 20 DBED C#CCNC(=O)CNC[C@H](C)NC(=O)c1c(C)nn(CC)c1C 1754288784 DQGWICVQGAEORO-NSHDSACASA-N 319.409 -0.023 30 20 DBED C#CCNC(=O)CN(C)C[C@H](C)NC(=O)c1cnn(CC)n1 1754307719 IBIFHHCGQNZGTF-NSHDSACASA-N 306.370 -0.903 30 20 DBED C#CCNC(=O)CN1C[C@H]2C[C@H]1[C@H]2NC(=O)c1cc(C)no1 1754418852 ITEOQBZLQZAHEK-SUNKGSAMSA-N 302.334 -0.465 30 20 DBED COCC#CCN1CC[C@@](O)(CNC(=O)CCCN(C)C)C1 1754755530 WWKKHXWETMMEGQ-MRXNPFEDSA-N 311.426 -0.469 30 20 DBED C=CCOCC(=O)NC[C@@H]1COCCN1Cc1cn(CC)nn1 1754965566 KKJAZKZMXWCHMH-CQSZACIVSA-N 323.397 -0.182 30 20 DBED C[C@H](NC(=O)C(C)(C)C)C(=O)N1CCO[C@@H](CNCC#N)C1 1755006666 DCEUOLJKRRNQDE-RYUDHWBXSA-N 310.398 -0.122 30 20 DBED C#CCN1CC2(C1)CN(C(=O)[C@H](NC(N)=O)C(C)(C)C)CCO2 1755051027 JQLJCXRMYMNGSQ-LBPRGKRZSA-N 322.409 -0.384 30 20 DBED C#CCN(C)CCOCCNC(=O)[C@@]1(C)CCCS1(=O)=O 1755543945 DEIODVVNHWTSIY-CQSZACIVSA-N 316.423 -0.349 30 20 DBED C#CCNCCCOCCNC(=O)[C@@H]1CCc2nncn2C1 1755553564 LDJXZQZROYMMCU-CYBMUJFWSA-N 305.382 -0.414 30 20 DBED C[C@H]1[C@@H](NC(=O)c2ccnnc2)CCCN1CC(=O)NCC#N 1755722867 PKQLQFCBVIAFBD-AAEUAGOBSA-N 316.365 -0.301 30 20 DBED C=CCOCC(=O)N(C)C1CC(NC(=O)C2(C(N)=O)CC2)C1 1756737208 XJDLTYZCWFVBPN-UHFFFAOYSA-N 309.366 -0.440 30 20 DBED CS(=O)(=O)N1CCC[C@H]1C(=O)NCC1(C#N)CCOCC1 1772108682 QRBLVBGNDOXYGV-NSHDSACASA-N 315.395 -0.153 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)Cn1ccnc1C)CCO2 1783054163 FCVHNFDEHBLGOO-MRXNPFEDSA-N 316.361 -0.345 30 20 DBED C#CCCC(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783568313 SPKDWACPDHRTBQ-INIZCTEOSA-N 318.329 -0.682 30 20 DBED C#CCCC(=O)N1CCO[C@]2(CCN(C(=O)C3CN(C)C3)C2)C1 1784788670 AOVLWDGSJCXQFB-QGZVFWFLSA-N 319.405 -0.209 30 20 DBED C=CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)O1 1793419118 AVXARTJUPYVGSO-NOHGZBONSA-N 323.349 -0.740 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1noc(C)n1)C2 1800451441 ZQSRXGKHUCPULJ-QHBPRCKVSA-N 318.333 -0.857 30 20 DBED CC[C@@H](NC(N)=O)C(=O)N1CC2(CCCN2C(=O)CCC#N)C1 1842812915 OHDZSWRWCHXKFM-LLVKDONJSA-N 321.381 -0.060 30 20 DBED C#CCCC(=O)N1CCCC12CN(C(=O)[C@H](C)n1cnnn1)C2 1846999834 SVWVFHLAZVIQJA-LBPRGKRZSA-N 316.365 -0.149 30 20 DBED C#CC(C)(C)N(C)S(=O)(=O)CCCS(=O)(=O)N(C)C 195472343 LEZUEDRDEPLORP-UHFFFAOYSA-N 310.441 -0.059 30 20 DBED Cn1c(NCC[S@](=O)C(C)(C)C)c(C#N)c(=O)n(C)c1=O 265325980 KKIFDABVKSBSPP-NRFANRHFSA-N 312.395 -0.085 30 20 DBED C#CCn1ccc(CN(CC)Cc2cn(C)c(=O)n(C)c2=O)n1 279392878 LOGJXZLKCRRLGT-UHFFFAOYSA-N 315.377 -0.064 30 20 DBED C[C@H](CO)N(C)C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 291508987 IEBGTQNRBQVZJQ-SNVBAGLBSA-N 311.363 -0.324 30 20 DBED CC(C)CN1CCN(C(=O)C(=O)N(C)C[C@H](C)C#N)CC1=O 298645308 NXLXTFWCCHOQCD-GFCCVEGCSA-N 308.382 -0.069 30 20 DBED C[C@H](/N=C(/O)c1cnc2[nH]nnc2c1)C(=O)N1CCOCC1 329151263 SHVGSOPJQUWXBX-QMMMGPOBSA-N 304.310 -0.095 30 20 DBED CC/N=C(/O)N1CCN([C@H](C)C(=O)NCC(=O)OC)CC1 330714035 RVXKPXDJANRGEQ-SNVBAGLBSA-N 300.359 -0.784 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)NCc1cc(C(N)=O)no1 336886401 GEJJLNCHXVRGSQ-SSDOTTSWSA-N 301.328 -0.801 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CCS(=O)(=O)[C@@H](C)[C@H]1C 337085456 DJHXETBDZDOVHG-MNOVXSKESA-N 323.440 -0.026 30 20 DBED CC(C)[C@H](NS(=O)(=O)N1CCO[C@@H](C#N)C1)C(C)(C)O 337161863 VCULABUOTVUUKD-QWRGUYRKSA-N 305.400 -0.159 30 20 DBED Cc1noc(C)c1S(=O)(=O)N[C@H](C)C(=O)N[C@@H](C)C#N 340434529 QEUFREGDZLHKMM-POYBYMJQSA-N 300.340 -0.013 30 20 DBED COCC1(C#N)CCN(CC(=O)NCC(=O)N2CCCC2)CC1 341992217 OUIURBQYVCLZEQ-UHFFFAOYSA-N 322.409 -0.023 30 20 DBED CC[C@@H](NC(=O)C(=O)NCCCCC#N)C(=O)N1CCOCC1 343301421 IOGAOXALYVTICD-GFCCVEGCSA-N 324.381 -0.450 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C)C[C@H]2C)C1=O 344352585 OBMGDNPCOIBWRJ-SNVBAGLBSA-N 308.338 -0.874 30 20 DBED C=CCOC[C@H]1NC(=O)N(CCC(=O)N2CCOCC2)C1=O 348604635 IYETYHOLAMIQAV-LLVKDONJSA-N 311.338 -0.642 30 20 DBED C=CCNC(=O)Cc1noc(CCN2CCCS2(=O)=O)n1 350699610 BLZPWEKZPSFMRC-UHFFFAOYSA-N 314.367 -0.508 30 20 DBED COC(=O)COCC(=O)N(CCC#N)CCN1CCOCC1 354086065 MJFLMNNQFQKFGE-UHFFFAOYSA-N 313.354 -0.750 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@H](COCC)C2)C1=O 357548426 WCQFEBCUXNLDGT-NSHDSACASA-N 323.349 -0.152 30 20 DBED CC(C)[C@@H](CNC(=O)NCC(=O)NCC#N)N1CCN(C)CC1 358317382 VCOMUOYSRSOKFU-CYBMUJFWSA-N 324.429 -0.803 30 20 DBED Cc1ncc(S(=O)(=O)NCCc2nc(=O)o[nH]2)cc1C#N 392240683 XEMCYYKPBWKLNX-UHFFFAOYSA-N 309.307 -0.541 30 20 DBED N#Cc1cc(F)ccc1NC(=O)C(=O)N1C[C@@H](O)C[C@@H]1CO 442261735 PKPJIYXUVJTZEH-MNOVXSKESA-N 307.281 -0.410 30 20 DBED COC[C@H]1CCCCN1S(=O)(=O)N1CCO[C@@H](C#N)C1 452089408 DNKWMVHFPYNTII-NEPJUHHUSA-N 303.384 -0.044 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1CC[C@H](O)C[C@@H]1C 490578405 JFZDQDPVTIEFNQ-RYUDHWBXSA-N 305.400 -0.062 30 20 DBED C#CCN1CCN(C(=O)CN2CC[C@H](C(=O)OC)[C@@H]2C)CC1 490738676 CCLKKLGUYUBTPB-KBPBESRZSA-N 307.394 -0.353 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2ccn(CC)n2)CC1 491485969 RTNDKGYUIGHYLF-UHFFFAOYSA-N 303.366 -0.590 30 20 DBED CS(=O)(=O)N1CCC[C@H](C(=O)N2CCN(CC#N)CC2)C1 528620846 QORVPZHBAOKDHQ-LBPRGKRZSA-N 314.411 -0.674 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(C(C)C)[nH]n2)C1=O 579041420 DEZGQVZQBCMFOW-UHFFFAOYSA-N 319.321 0.448 30 20 DBED Cn1ncc(I)c1C(=O)NCC#CCO 582251231 ORTKUIIEXZUBGR-UHFFFAOYSA-N 319.102 -0.250 30 20 DBED N#CCC(=O)N1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1 594587449 DCPKMHAZXZDXQM-UHFFFAOYSA-N 318.293 -0.349 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N1CC[C@H]2NC(=O)CC[C@@H]2C1 594849433 LTHDCWKIOLDUSB-IJLUTSLNSA-N 314.411 -0.077 30 20 DBED C[C@H](N)CCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N 598684472 QLOXUFXDKNMXQV-VIFPVBQESA-N 306.370 0.302 30 20 DBED COC(=O)C[C@H](O)CNS(=O)(=O)c1ccc(C#N)cc1F 599462376 NOKDZCJJYUQZOA-VIFPVBQESA-N 316.310 -0.100 30 20 DBED COC(=O)C[C@H](O)CNC(=O)C(=O)Nc1ccc(C#N)c(F)c1 600060540 RNNWNYPRSLTCBV-JTQLQIEISA-N 323.280 -0.324 30 20 DBED CC#CC[C@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C(=O)O 600654571 AHEQSUFTCONFHH-ZETCQYMHSA-N 316.295 -0.527 30 20 DBED C[C@@H](C#N)CNC(=O)NCCN1CCN(S(C)(=O)=O)CC1 611623238 QUOOIPQPGHDCJJ-NSHDSACASA-N 317.415 -0.978 30 20 DBED C=CCn1cc(C(=O)NCCCN(C)S(C)(=O)=O)nn1 648733488 WDAYIFIXZFMZTC-UHFFFAOYSA-N 301.372 -0.525 30 20 DBED C=C(C)CN1CCC(NC(=O)[C@@H]2CCS(=O)(=O)N2)CC1 651273143 COEOMOPNPWJRCY-LBPRGKRZSA-N 301.412 -0.165 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)N2CCO[C@@H](C(=O)O)C2)cc1 738431341 XCKHCYWHGKAQTI-GFCCVEGCSA-N 317.301 -0.400 30 20 DBED N#CCN(CC(=O)O)C(=O)CCN1C(=O)[C@H]2CCCC[C@H]2C1=O 739076872 DPXHXHRERSTWSC-PHIMTYICSA-N 321.333 -0.012 30 20 DBED CC#CCCOC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 760290735 VMZAMKBWLSUXJD-UHFFFAOYSA-N 318.333 -0.220 30 20 DBED C=CCS(=O)(=O)CC(=O)N1CCN(C(=O)C2CC2)CC1 779367108 NIODHLSKHUQOAL-UHFFFAOYSA-N 300.380 -0.332 30 20 DBED COCC#CCOC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 785657785 NOFQOTHQQHONKV-CQSZACIVSA-N 324.377 -0.640 30 20 DBED C[C@H](NS(=O)(=O)N(C)C[C@@H](C)C#N)c1nnnn1C1CC1 800127328 LOXDEWHLIPRXBB-IUCAKERBSA-N 313.387 -0.005 30 20 DBED CCN1CCN(C(=O)C(=O)Nc2cnn(CC#N)c2)[C@@H](C)C1 807319306 YIAMEAVHGSEFNH-NSHDSACASA-N 304.354 -0.102 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)Cc2ncc[nH]2)CC1 826550963 XRBCEGYBEDJKIJ-UHFFFAOYSA-N 303.366 -0.764 30 20 DBED C#Cc1cnc(NCCN2CCN(S(C)(=O)=O)CC2)nc1 827446713 GJDIQXWVVWPQCF-UHFFFAOYSA-N 309.395 -0.553 30 20 DBED C=CCn1cc(C(=O)OCc2nc(N)nc(N(C)C)n2)nn1 830136130 QQOPAURVEMVBMG-UHFFFAOYSA-N 304.314 -0.346 30 20 DBED C#CC1CCN(C(=O)[C@@H]2CCCN2C(=O)CNC(C)=O)CC1 843706538 CDURSHNQIVMAHI-AWEZNQCLSA-N 305.378 -0.015 30 20 DBED C[C@H](C(=O)N(C)CC(=O)N[C@@H]1CCCN(O)C1=O)n1cccn1 848137408 ALWIRCDJYJOXMI-GHMZBOCLSA-N 323.353 -0.601 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@H](CC(C)=O)C(=O)O 863407098 DYGFAMADGFKOAE-WCBMZHEXSA-N 305.356 -0.265 30 20 DBED C#CC1(O)CN(C(=O)c2ccc(S(=O)(=O)N(C)C)nc2)C1 890525078 XYGTVORDXAFJEO-UHFFFAOYSA-N 309.347 -0.848 30 20 DBED CCN(C[C@H](C)C#N)C(=O)COC(=O)[C@H]1CCS(=O)(=O)C1 919016529 UZRLMLVSUVAAJH-MNOVXSKESA-N 316.379 -0.028 30 20 DBED CN(C(=O)c1nc[nH]n1)[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 937177932 WOFOSSPTFJRECO-SNVBAGLBSA-N 313.321 -0.009 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[C@H]3CCC(=O)N3)C2)[nH]1 937747763 LWHYMRNIGKGXED-WDEREUQCSA-N 315.333 -0.504 30 20 DBED C=C1CC(C)(C(=O)N2CC[C@@H](NC(=O)Cn3cnnn3)C2)C1 939333448 CLXKCWVHYJGBGR-LLVKDONJSA-N 304.354 -0.254 30 20 DBED C[C@H](C#N)C(=O)N1CCC(NC(=O)c2cnn(C)c2N)CC1 948098527 HQMZMILSKLAGCG-SECBINFHSA-N 304.354 -0.117 30 20 DBED C#CCN1CCC[C@@H](N(C)C(=O)Cn2ncn(C)c2=O)CC1 948567723 WBLXOWNIAIBTJU-CYBMUJFWSA-N 305.382 -0.472 30 20 DBED CC#CCN1CCC2(CC1)CN(C(=O)Cn1ncnn1)CCO2 949095320 HJWIMSRQZVTINZ-UHFFFAOYSA-N 318.381 -0.610 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@](C)(NC(=O)c2cc(=O)n(C)o2)C1 956865431 QVMVHXPWTXQQGS-YMTOWFKASA-N 306.322 -0.141 30 20 DBED C=C(C)CCN1CCN(C(=O)c2cn(CC(N)=O)nn2)CC1 957776733 QYUVBBBFZKSSDT-UHFFFAOYSA-N 306.370 -0.513 30 20 DBED N#Cc1ccc(C(=O)N2C[C@H]3C[C@H](NC(=O)C(N)=O)C[C@H]2C3)[nH]1 958149220 OXXXUBSKIBHLGU-INTQDDNPSA-N 315.333 -0.519 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2nccn3cc(C)nc23)C1 958576528 BKWPUEGUQMMCCX-CHWSQXEVSA-N 313.361 -0.307 30 20 DBED C#CCN1C[C@H](CNC(=O)c2noc3c2COCC3)[C@@H](O)C1 958725004 UYFPCIVLCAUXKO-JQWIXIFHSA-N 305.334 -0.597 30 20 DBED CC(C)(O)CC(=O)N1CCO[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]21 960307704 UUBAPTKPAZBXPL-UONOGXRCSA-N 320.389 -0.001 30 20 DBED C=C(C)CN1C[C@H]2C(NC(=O)Cn3ccc(O)nc3=O)[C@@H]2C1 960862284 GZEJJODKFNGHBN-GHMZBOCLSA-N 304.350 -0.429 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(C[C@@H](NC(=O)c3cn(C)cn3)CO2)C1 965670511 SWASARWYBPEFGZ-WDEREUQCSA-N 317.349 -0.321 30 20 DBED C[C@H](NC(=O)c1coc(S(N)(=O)=O)c1)C1CN(CC#N)C1 969994387 XZBQBJKNGQYDHM-QMMMGPOBSA-N 312.351 -0.499 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)C(N)=O 977791214 GAWYEHUMWFKIHA-SRVKXCTJSA-N 309.366 -0.488 30 20 DBED C=C(C)CN1C[C@@H]2C(CNC(=O)c3cn(CC(N)=O)nn3)[C@H]2C1 979074539 DAJGXTOJDBWZPM-VXGBXAGGSA-N 318.381 -0.753 30 20 DBED C#CCN1C[C@@H]2CC[C@H](NC(=O)CN3C(=O)CCC3=O)C[C@H]2C1 980245754 OJKSYUZKMBKEOO-IHRRRGAJSA-N 317.389 -0.015 30 20 DBED Cc1ccc(=O)n(CC(=O)N2CC3(CCCN(CC#N)C3)C2)n1 982125591 WHAFYGBSPRBZRP-UHFFFAOYSA-N 315.377 0.000 30 20 DBED C[C@H]1[C@@H](NCC#N)CCN1C(=O)c1ccc(S(N)(=O)=O)o1 986475933 BYHSKYJWWVNSOT-IUCAKERBSA-N 312.351 -0.357 30 20 DBED N#Cc1c[nH]c(C(=O)NC2CN(C(=O)CN3CCCC3)C2)c1 990702824 DRTHKTPCYASTKF-UHFFFAOYSA-N 301.350 -0.077 30 20 DBED N#Cc1c[nH]c(C(=O)NC2CN(C(=O)c3csnn3)C2)c1 990704976 WIMSZKKWBBVVRA-UHFFFAOYSA-N 302.319 -0.008 30 20 DBED Cc1nonc1C(=O)N1CC(NC(=O)c2ccc(C#N)[nH]2)C1 990868107 ITSMCDFEDMHKEK-UHFFFAOYSA-N 300.278 -0.168 30 20 DBED C=CCn1cc(C(=O)NC2CN(C(=O)c3cnns3)C2)nn1 991673302 LHLCTMSEVCLBAC-UHFFFAOYSA-N 319.350 -0.430 30 20 DBED C#CCN1CC[C@]2(NC(=O)CN3C(=O)CNC3=O)CCC[C@H]12 992471345 GXZYZKDNFIGEIC-XHDPSFHLSA-N 304.350 -0.715 30 20 DBED C#CCN1CCC(C(=O)NC2CN(C(=O)[C@H]3CCOC3)C2)CC1 993851316 DNAZKYQWFUHPGI-AWEZNQCLSA-N 319.405 -0.305 30 20 DBED COCCn1nccc1C(=O)NC1CN(C(=O)C#CC2CC2)C1 994429541 OMTXNOVXJKCWDM-UHFFFAOYSA-N 316.361 -0.117 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN(C(=O)c2cccnn2)C1 994750102 GFVAQMYKZXGRDV-AWEZNQCLSA-N 313.361 -0.485 30 20 DBED C[C@@H](C#N)C(=O)N1CC(CNC(=O)c2ccc3nnnn3c2)C1 1003206646 MSOYWTIQGNAGNX-VIFPVBQESA-N 313.321 -0.528 30 20 DBED C[C@@H](C#N)C(=O)N1CC(CNC(=O)[C@H]2CCCCN(C)C2=O)C1 1003313531 CYJZGMAUVRCTGF-WCQYABFASA-N 320.393 -0.021 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](NC(=O)Cc2nc[nH]n2)C(C)(C)C1 1008622061 DAWHKTKXVSPBGR-VHSXEESVSA-N 304.354 -0.140 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCCN([C@@H](CC)C(N)=O)C2)nn1 1008799482 MFIXFEQFRQIWNY-YPMHNXCESA-N 320.397 -0.078 30 20 DBED C[C@H](C#N)C(=O)N1C[C@]2(C)CN(C(=O)CC(N)=O)C[C@]2(C)C1 1010960238 PMACENRVOGBZTC-KMUNFCNLSA-N 306.366 -0.282 30 20 DBED COc1cnc(C(=O)N2CCN(C(=O)[C@H](C)C#N)CC2)nc1 1011749601 TWXNUKBUMJYJGD-SNVBAGLBSA-N 303.322 -0.071 30 20 DBED COc1ccc(CN2CC[C@H](NC(=O)C(N)=O)C2)cc1C#N 1015637974 WPKFOBHYAOULRX-LBPRGKRZSA-N 302.334 -0.257 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCN(CC(=O)N(C)C)C2)nn1 1015810237 CTTDYZVDVDVXRT-LLVKDONJSA-N 306.370 -0.644 30 20 DBED CN1CC[C@H](N[C@H]2C[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)C1=O 1020058611 PKLVHLVFGSWBHT-SRVKXCTJSA-N 301.350 -0.033 30 20 DBED C[C@@H]1CN(C(=O)C(N)=O)CC[C@H]1CNC(=O)c1ccc(C#N)[nH]1 1020796411 BLLMGJZTRWFFNM-ZJUUUORDSA-N 317.349 -0.414 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]2CN(C(=O)c3ncn(C)n3)C[C@H]21 1022565355 VBJZHINDYOSEDD-GARJFASQSA-N 302.338 -0.352 30 20 DBED Cc1nccn1CC(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1023800890 HJDLBLUCTRVDIK-ZIAGYGMSSA-N 316.361 -0.707 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)OC)C[C@H]2O)cn1 1024926493 CVGXBEDKJIRSFL-ZLKJLUDKSA-N 317.345 -0.601 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCCN1CC(=O)NC 1027943015 IKRIZMOQBQKYJB-KBPBESRZSA-N 306.410 -0.589 30 20 DBED C=CCN1[C@H]2CC[C@H]1CN(C(=O)CCn1ncn(C)c1=O)C2 1029405216 CTLVWDMPBULTOV-STQMWFEESA-N 305.382 -0.167 30 20 DBED CN1C[C@@H](C(=O)NC2CN(Cc3ccc(C#N)s3)C2)NC1=O 1030792853 CGHWVRQNGLFQGL-LBPRGKRZSA-N 319.390 -0.056 30 20 DBED C#CCCCC(=O)NC[C@@]1(O)CCN(C(=O)C2(C(N)=O)CC2)C1 1039573535 IHOPNZJGNDIEIQ-HNNXBMFYSA-N 321.377 -0.865 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@]1(O)CCN(C(=O)c2cnon2)C1 1039580715 YRMUBWFKLUIUSI-KBPBESRZSA-N 324.337 -0.910 30 20 DBED N#CCN1CCC[C@]2(CCN(C(=O)CN3CCOCC3=O)C2)C1 1040243100 PWSMSDOHXJHCAW-INIZCTEOSA-N 320.393 -0.317 30 20 DBED Cc1n[nH]cc1C(=O)NC[C@]1(O)CCN(C(=O)[C@@H](C)C#N)C1 1040464081 NZFZLNYGPAAFNO-LKFCYVNXSA-N 305.338 -0.429 30 20 DBED CC(C)(F)C(=O)NCC1(O)CN(C(=O)c2cc(C#N)c[nH]2)C1 1041125022 RYZLCHYURQPTOM-UHFFFAOYSA-N 308.313 -0.062 30 20 DBED Cc1cc(C(=O)NCC2(O)CN(C(=O)C#CC3CC3)C2)on1 1041437089 TWQBCWGTYKCITL-UHFFFAOYSA-N 303.318 -0.300 30 20 DBED CCO[C@@H]1C[C@H]1C(=O)NCC1(O)CN(C(=O)C#CC(C)C)C1 1041690655 NXOIEFIZWPXCFN-CHWSQXEVSA-N 308.378 -0.240 30 20 DBED COC[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2ccc(C#N)[nH]2)C1 1042030558 BMAGKMIYCFXAPV-SNVBAGLBSA-N 320.349 -0.528 30 20 DBED C=CCCCC(=O)N1CC(O)(CNC(=O)c2cc(=O)n(C)o2)C1 1042787856 JZUPXBQEJOWBFE-UHFFFAOYSA-N 323.349 -0.362 30 20 DBED C=CCCN1CC(N(C)C(=O)CN2CCCS2(=O)=O)C1 1042853591 PCAVJWWJDURPSZ-UHFFFAOYSA-N 301.412 -0.259 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)[C@@H]2CCN(C)[C@@H]2C)C1 1042940972 HZVXIBFSELMRPB-ZIAGYGMSSA-N 321.421 -0.325 30 20 DBED C=C(C)CCN1CC(N(C)C(=O)[C@H]2CCS(=O)(=O)N2)C1 1044307089 JUSPHHQGJLSAMG-GFCCVEGCSA-N 301.412 -0.213 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)[C@@H](CCC)OC)C1 1044389764 DDWBENMMYNEJKV-GFCCVEGCSA-N 314.382 -0.306 30 20 DBED C=C[C@H](CC)CC(=O)NCC1(O)CN(C(=O)c2cn(C)nn2)C1 1045064082 KRIBTPMLPIVYDB-LLVKDONJSA-N 321.381 -0.280 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)Cc2cncs2)C1 1045552604 UBKUPYWKOZKGTO-SECBINFHSA-N 308.363 -0.465 30 20 DBED CCOCC1(C(=O)N2CC(O)(CNC(=O)[C@H](C)C#N)C2)CC1 1045554212 AEIDHENZTQGTBS-LLVKDONJSA-N 309.366 -0.348 30 20 DBED C#CCN1[C@H]2CC[C@H]1CN(C(=O)C1CC(=O)NC(=O)C1)CC2 1045865682 XBVTWNKIRWPTPQ-STQMWFEESA-N 303.362 -0.262 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)C(=O)N2CCC[C@@H](C)C2)C1 1047554885 OKFBJPANTINOBU-RDBSUJKOSA-N 307.394 -0.618 30 20 DBED C#CCN1C[C@H]2CN(C(=O)C[C@H]3CCCS3(=O)=O)C[C@H]2C1 1048960321 WTANKGMFAULENQ-HZSPNIEDSA-N 310.419 -0.023 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)c2cn(C)cn2)C[C@@H]1O 1049389629 ZJWDNGNAKMKRTB-DLOVCJGASA-N 305.338 -0.777 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)c2ccncn2)C[C@@H]1O 1049394571 LPXZQKHYTXJGSX-USWWRNFRSA-N 303.322 -0.720 30 20 DBED C#CCN1CCN([C@@H]2CCN(C(=O)c3cnnc(O)c3)C2)CC1 1052041520 JWDTWSZHJGQFMS-CQSZACIVSA-N 315.377 -0.353 30 20 DBED C[C@@]1(C(=O)N2CC[C@H](N3CCN(CC#N)CC3)C2)CCC(=O)N1 1052079961 SKRXWTYZQNDIPZ-BBRMVZONSA-N 319.409 -0.603 30 20 DBED C=CCOCC(=O)N1C[C@@H](C)[C@@H](CNC(=O)CC(=O)NC)C1 1052221372 PYHUFZKWEHTDAZ-NEPJUHHUSA-N 311.382 -0.464 30 20 DBED N#CCN1CC2(C1)CN(C(=O)[C@H]1CN3CCC[C@H]3CO1)CCO2 1053262845 FCZQKSBKOMBTIF-UONOGXRCSA-N 320.393 -0.714 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)c3ccc(=O)n(C)n3)CO2)C1 1054002347 WTZVIUAFNXZBBV-GFCCVEGCSA-N 316.361 -0.623 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@](CO)(NC(=O)C2=COCCO2)C1 1055737854 DDVYLVJRYFZMDF-ABAIWWIYSA-N 323.349 -0.496 30 20 DBED C=CC(C)(C)C(=O)N1CCC[C@@](CO)(NC(=O)CC(N)=O)C1 1055848942 OYPPFOJXWAAJEX-OAHLLOKOSA-N 311.382 -0.456 30 20 DBED COCC(=O)N1CCC[C@](CO)(NC(=O)c2c[nH]c(C#N)c2)C1 1055894679 JASQYYNDTDFWRQ-HNNXBMFYSA-N 320.349 -0.384 30 20 DBED N#Cc1cc([N+](=O)[O-])ccc1N1CCN(C(=O)C(N)=O)CC1 1055999395 MZTSINADSBENSI-UHFFFAOYSA-N 303.278 -0.400 30 20 DBED N#Cc1nccc(N2C[C@H]3C(NC(=O)[C@@H]4COCCO4)[C@@H]3C2)n1 1056133448 AEPCODZTGDHKCK-MXWKQRLJSA-N 315.333 -0.686 30 20 DBED N#Cc1nccc(N2C[C@H]3[C@H](NC(=O)[C@H]4COC(=O)N4)[C@H]3C2)n1 1056194359 LSKPYJKQOLGLJP-SREGZZRCSA-N 314.305 -0.993 30 20 DBED C=CCOCC(=O)N1CCC[C@H]2[C@@H]1CCN2C(=O)CC(=O)NC 1056312275 ZJKSNPBPWKQOHU-STQMWFEESA-N 323.393 -0.083 30 20 DBED C[C@]1(C(=O)N2CC[C@@H](N=c3cc[nH]cc3C#N)C2)CCNC1=O 1056777461 YPACNHDFAYHCQM-WBMJQRKESA-N 313.361 -0.086 30 20 DBED C#CCOCCC(=O)NCCN(CCO)C(=O)CCOCC 1057185534 QCUUNFBLPLQGJK-UHFFFAOYSA-N 314.382 -0.610 30 20 DBED CN1CCO[C@@H](C(=O)N[C@@H]2CCN(c3nccnc3C#N)C2)C1 1058317471 XFYIAKGOEFGHJS-DGCLKSJQSA-N 316.365 -0.626 30 20 DBED C=C[C@H](CC)CC(=O)N(CCO)CCNC(=O)CC(=O)NC 1058466664 SLKQGNBJWLLAPD-GFCCVEGCSA-N 313.398 -0.338 30 20 DBED CN1CC[C@H](C(=O)N[C@H]2C[C@H](Nc3cncc(C#N)n3)C2)C1=O 1059377560 ZLHYFINDGYZALV-CKYFFXLPSA-N 314.349 -0.114 30 20 DBED C=CCO[C@H](C)C(=O)NCC[C@H]1CCN(C(=O)CC(N)=O)C1 1059383236 QBEJXSOTMYHICX-NEPJUHHUSA-N 311.382 -0.192 30 20 DBED C=C(C)CCC(=O)N1CCOC[C@@H]1CNC(=O)Cn1cnnn1 1061278430 YSDUPJOGVMVVSD-LBPRGKRZSA-N 322.369 -0.627 30 20 DBED C#CCO[C@H](C)C(=O)N1CCOC[C@@H]1CNC(=O)c1cn[nH]c1 1061331631 LRNOQJFZTNYWGN-YPMHNXCESA-N 320.349 -0.595 30 20 DBED Cc1nn[nH]c1C(=O)N1CCOC[C@@H]1CNC(=O)C#CC(C)C 1061568964 VFEMHRJZMMVYDI-LBPRGKRZSA-N 319.365 -0.270 30 20 DBED N#Cc1nccnc1N1CC[C@H](CNC(=O)[C@H]2COC(=O)N2)C1 1061592609 QGPWGYSFWNSHBY-MWLCHTKSSA-N 316.321 -0.601 30 20 DBED C=C(C)CCC(=O)N1CCOC[C@H]1CNC(=O)C1(C(N)=O)CC1 1061838883 QYVXOTGMMZZPAX-GFCCVEGCSA-N 323.393 -0.048 30 20 DBED C=CCOCC(=O)NC1(CNC(=O)CNC(=O)C2CC2)CCC1 1062622390 XVPQUYLVMOITKW-UHFFFAOYSA-N 323.393 -0.130 30 20 DBED CN(C(=O)[C@@H]1COC(=O)N1)[C@H]1CCN(c2cncc(C#N)n2)C1 1062928635 NANXJSZBSGGKHL-QWRGUYRKSA-N 316.321 -0.506 30 20 DBED C=CCOCC(=O)NC1(CNC(=O)[C@H]2CCN(C)C2=O)CCC1 1064085889 ASGZJJFATDGSDP-GFCCVEGCSA-N 323.393 -0.178 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@H]1CN(C(=O)COC)CCO1 1064755400 ZUPDZPGGESKRDW-BXUZGUMPSA-N 300.355 -0.697 30 20 DBED C=CCCC(=O)N1CCO[C@H](CNC(=O)[C@@H]2CCN(C)C2=O)C1 1064960597 ZPYCTFCGQFMQDU-OLZOCXBDSA-N 323.393 -0.226 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)[C@H]2CCC(=O)NC2)CCO1 1065323075 CETKNMHOHSRAQP-QWHCGFSZSA-N 323.393 -0.178 30 20 DBED C=CCO[C@@H](C)C(=O)NC[C@@H]1CN(C(=O)c2cnn[nH]2)CCO1 1065328741 XTXPSMDEIOYVRH-WDEREUQCSA-N 323.353 -0.647 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2[nH]cnc2C)CCO1 1065332243 VFCIRHAQUFCRRF-LBPRGKRZSA-N 322.365 -0.122 30 20 DBED Cc1nonc1CC(=O)NC[C@H]1CN(C(=O)[C@H](C)C#N)CCO1 1065557460 REMQODQZPPSPRK-KOLCDFICSA-N 321.337 -0.576 30 20 DBED C=CCCOCC(=O)N1CCC[C@H](NC(=O)CC(N)=O)CC1 1066013753 AJUYYYXTGGVZAZ-LBPRGKRZSA-N 311.382 -0.048 30 20 DBED N#Cc1cncc(N2CCOC[C@@H]2CNC(=O)c2cnco2)n1 1066509541 ISUHBMKIINRNEN-NSHDSACASA-N 314.305 -0.029 30 20 DBED C=C(C)CCC(=O)N1CCOC2(C1)CN(C(=O)CC(N)=O)C2 1068402944 UIBYLZDLTUWNNN-UHFFFAOYSA-N 309.366 -0.342 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C[C@@H](NC(=O)COC)CO2)C1 1068656705 UTHHVXZCEVLZFR-UPJWGTAASA-N 324.377 -0.290 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(C[C@@H](NC(=O)CCN(C)C)CO2)C1 1069008417 FVVNZVHZRZPVNK-NWDGAFQWSA-N 308.382 -0.416 30 20 DBED C#CCN1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 1070425823 GNFYGQNNNBBATE-UHTWSYAYSA-N 315.377 -0.430 30 20 DBED Cc1cc(CC(=O)N2CCC(=O)NCCN(CC#N)CC2)n[nH]1 1070953056 WTBVYCRQDYYZBC-UHFFFAOYSA-N 318.381 -0.565 30 20 DBED N#CCN1CCC2(C1)CN(C(=O)[C@@H]1CCc3nncn3C1)C2 1073454283 JGJXBXCFAZQCRB-GFCCVEGCSA-N 300.366 -0.102 30 20 DBED C[C@H](C(N)=O)N1CCCO[C@@H](CNC(=O)c2c[nH]c(C#N)c2)C1 1073576178 ZBRAGDXHUPZSEO-MFKMUULPSA-N 319.365 -0.419 30 20 DBED C=CCN1CCCO[C@H](CNC(=O)C2CS(=O)(=O)C2)C1 1073620411 DJOLCKFIOHJAAL-GFCCVEGCSA-N 302.396 -0.576 30 20 DBED N#CCN1CCCO[C@@H](CNC(=O)c2cncc(C(N)=O)c2)C1 1073892883 CXXVKVJUUOKVPZ-ZDUSSCGKSA-N 317.349 -0.475 30 20 DBED C#CCCN1CCO[C@@H]2CCN(C(=O)Cn3cncn3)C[C@@H]21 1074400952 XKDLAZDFISOMPL-UONOGXRCSA-N 303.366 -0.397 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)c3c[nH]c(C(N)=O)c3)C[C@@H]21 1074405989 ZBRBEXBFQNMCJI-KBPBESRZSA-N 316.361 -0.338 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CCN(C(=O)c2cnn(C)n2)CC1 1074641390 PVJXRFSDHJQMHP-SNVBAGLBSA-N 320.353 -0.942 30 20 DBED CC(=O)NCC(=O)N[C@@H](C)CCNC(=O)c1c[nH]c(C#N)c1 1076215825 XGFOJZPBLBPVJT-VIFPVBQESA-N 305.338 -0.353 30 20 DBED C[C@@H](CCNC(=O)C#CC1CC1)NC(=O)C[C@H]1CC(=O)NC1=O 1076432419 PIJQLBDHKMOZRQ-JQWIXIFHSA-N 319.361 -0.536 30 20 DBED C#CCO[C@@H](C)C(=O)NCC[C@H](C)NC(=O)[C@@H]1[C@H]2COC[C@H]21 1076511991 LRTFEJXGLCJCKK-QSLWVIQJSA-N 308.378 -0.072 30 20 DBED COCC(=O)N[C@H](C)C(=O)NCC[C@H](C)NC(=O)C#CC1CC1 1076882968 LOGOYLILFHOCAA-NWDGAFQWSA-N 323.393 -0.438 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2cc([C@@H]3CCCN3C)[nH]n2)C1 1077034394 WMWPUXJIMUZBDO-QLFBSQMISA-N 317.393 -0.416 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2cn3c(n2)CC[C@@H](C)C3)C1 1077225031 KSDLPUXBMBYWTK-YRGRVCCFSA-N 302.378 -0.127 30 20 DBED C#Cc1ccc(C(=O)NCC[C@H](C)NC(=O)CNC(C)=O)nc1 1077630166 GDBYSFQXWRDOOH-NSHDSACASA-N 316.361 -0.176 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)C2(N3CCOCC3)CCC2)C1 1077913011 XSORHJVPEDJCPU-HUUCEWRRSA-N 323.437 -0.021 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2ccc3c(c2)OCCO3)C1 1078169007 YEVZHNZZBWFVRR-CHWSQXEVSA-N 302.330 -0.134 30 20 DBED C#CCCCC(=O)N(CC)C1CN(C(=O)[C@H]2CCNC2=O)C1 1079681776 BGJSFICWRZPCLJ-ZDUSSCGKSA-N 305.378 -0.015 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@@H]1CCc2nnnn2CC1 1080478121 HRDBJBNAJHYLGO-IJLUTSLNSA-N 303.370 -0.414 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cnn(C)c2)C1 1081247344 BAVNBCOHPIQQGP-WCQYABFASA-N 322.365 -0.828 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)c2cnnn2CC)C[C@@H]1O 1081335070 GWMGLQDGHNOXBJ-YPMHNXCESA-N 321.381 -0.187 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)CCc2nc[nH]n2)C1 1081388903 QJUUAOXIYSXPJO-VXGBXAGGSA-N 321.381 -0.361 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)CC(=O)N(C)C)C[C@H]1O 1081468863 PQBDDQGCHXEDTO-QWHCGFSZSA-N 323.393 -0.940 30 20 DBED C#CCOCCC(=O)N1C[C@H](CNC(=O)CCCF)[C@@H](O)C1 1081662801 FIYVZQWJJQHGHN-STQMWFEESA-N 314.357 -0.289 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)Cc1cn(CC)nn1 1083150920 YDYIHYJCVKVJTM-LSDHHAIUSA-N 317.393 -0.225 30 20 DBED Cn1ccc(CN2C[C@H](O)[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)n1 1083392727 VWTVQRDWYJWCKY-KGLIPLIRSA-N 314.349 -0.405 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)C2(n3cnnn3)CCCCC2)C1 1083696535 DVPOLHAZNKMULG-NEPJUHHUSA-N 319.369 -0.983 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)[C@H]2CCN(C)C2=O)C1 1083710706 KNWDVSNOJRRKMC-MXWKQRLJSA-N 301.774 -0.622 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CN(C[C@H](CC)OC)C[C@@H]2O)nn1 1083843355 DEEODZVVZNSTLJ-SCRDCRAPSA-N 323.397 -0.336 30 20 DBED C#CCN[C@H]1C[C@@H](CNC(=O)[C@@H]2CN3CC4CC3(CO2)C4)C1 1086153077 VHLNUKQIBSTLBN-FWPNWONVSA-N 303.406 -0.033 30 20 DBED C[C@H]1CC[C@H](NC(=O)CNC(N)=O)CN1c1ccc(C#N)nn1 1089110191 OHBYTVFVVGQGST-ONGXEEELSA-N 317.353 -0.510 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2cnn3ncccc23)[C@@H](O)C1 1090332408 XZYAXEMBZSAMSG-HIFRSBDPSA-N 313.361 -0.082 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)c2cc(C(N)=O)cn2C)[C@@H](O)C1 1090397523 BEAWEOYSASMISJ-OCCSQVGLSA-N 320.393 -0.135 30 20 DBED CO[C@@H](C)CCC(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1O 1090401474 RYHXAVYIACUVBM-CYZMBNFOSA-N 319.365 -0.171 30 20 DBED CO[C@H](C)C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1OC 1090864835 NHPDWRFSWKORJE-YUSALJHKSA-N 305.338 -0.297 30 20 DBED C#CCNC1CC(CNC(=O)[C@H]2CCc3nnc(O)n3C2)C1 1091104840 BSHKVUPAXYRRMV-CXQJBGSLSA-N 303.366 -0.336 30 20 DBED COCCC(=O)N[C@H]1CCN(c2ccc(C#N)nn2)C[C@@H]1O 1092132832 XTVXREASSVFSCX-RYUDHWBXSA-N 305.338 -0.559 30 20 DBED C[C@H](CC(=O)N1CCN(c2cncc(C#N)n2)CC1)NC(N)=O 1093178221 XWRUFNFXUNLDBB-SNVBAGLBSA-N 317.353 -0.556 30 20 DBED CCc1nc(C#N)cc(NCCNC(=O)c2cnn(C)n2)n1 1093726356 LKIYEQRVVIUIJP-UHFFFAOYSA-N 300.326 -0.119 30 20 DBED CN1CC[C@@H](CC(=O)NCCNc2cnc(C#N)cn2)C1=O 1093961228 VULBXPIVNGKJSM-JTQLQIEISA-N 302.338 -0.255 30 20 DBED Cn1c(C(=O)NCc2cn(C3CN(CC#N)C3)nn2)cnc1O 1094311134 KPTWUFMJMPILRH-UHFFFAOYSA-N 316.325 -0.973 30 20 DBED CC#CCN1CC(n2cc(CNC(=O)c3nonc3C)nn2)C1 1094342015 BYKUBJNUUPTRST-UHFFFAOYSA-N 315.337 -0.220 30 20 DBED C=CCN1CCN(C(=O)CSC)[C@@H]2CS(=O)(=O)C[C@@H]21 1094603212 HLJMEJPJISYRDO-WDEREUQCSA-N 304.437 -0.155 30 20 DBED N#CCN1CCN(C(=O)Cc2cnoc2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094653914 FMTCWKLMCSYLBF-NWDGAFQWSA-N 324.362 -0.950 30 20 DBED CC#CCN1CC(N2C[C@H](NC(=O)[C@H]3CCCO3)CC2=O)C1 1094702026 UIPMWEBBFPQRDE-TZMCWYRMSA-N 305.378 -0.410 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)C3CCN(C)CC3)CC2=O)C1 1094777083 NHOMCPSQGYNNLF-CQSZACIVSA-N 318.421 -0.637 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)c3ccn(CC)n3)CC2=O)C1 1094791443 DOWGFZCNSGZIQK-GFCCVEGCSA-N 315.377 -0.449 30 20 DBED CCN(CCCNC(=O)[C@@H]1CCC(=O)N1)c1cncc(C#N)n1 1095898867 GLJOGJONQGPHAW-LBPRGKRZSA-N 316.365 -0.041 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CCCN(c2ccc3nnnn3n2)C1 1096151332 JARGTXHGCVNBFS-NXEZZACHSA-N 300.326 -0.236 30 20 DBED N#Cc1nccc(N2CCC[C@H](NC(=O)CCNC(N)=O)C2)n1 1096180397 FDLUERQJENJKIL-JTQLQIEISA-N 317.353 -0.508 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CCN(c2nccn3nnnc23)C1 1096359405 BYWYBPSAXUVYLX-YGRLFVJLSA-N 317.353 -0.459 30 20 DBED CCC(=O)NCC(=O)N[C@H]1C[C@H](Nc2ccc(C#N)nn2)C1 1097002011 QJBHKZPZBYQILQ-XYPYZODXSA-N 302.338 -0.066 30 20 DBED CNC(=O)NCC(=O)N[C@H]1C[C@H](Nc2nc(C)cc(C#N)n2)C1 1097110056 SZMVKDYXVCQDMZ-MGCOHNPYSA-N 317.353 -0.355 30 20 DBED N#Cc1nccnc1NC[C@H]1CCN(C(=O)CNC(N)=O)C1 1098500676 HDZDGNLGSAQCRS-SECBINFHSA-N 303.326 -0.723 30 20 DBED N#CCN(CCO)C1CCN(C(=O)CCN2CCCC2=O)CC1 1098563862 ABTLNIIESOHEEU-UHFFFAOYSA-N 322.409 -0.192 30 20 DBED C=CCNCc1cn([C@@H]2CCN(C(=O)[C@@H]3COC(=O)N3)C2)nn1 1098667349 XYHBLZMTJAMCCB-NEPJUHHUSA-N 320.353 -0.565 30 20 DBED N#CCNCc1cn([C@H]2CCN(C(=O)[C@@]3(F)CCOC3)C2)nn1 1098706312 XXTAULYTIPLDRL-GXTWGEPZSA-N 322.344 -0.207 30 20 DBED C=CCO[C@H](C)C(=O)N1CC[C@@H](n2cc(CNCCO)nn2)C1 1098789374 BVQUIIUUBJVEQM-TZMCWYRMSA-N 323.397 -0.276 30 20 DBED Cc1cc(C#N)nc(N[C@H](C)CCNC(=O)[C@H]2CNC(=O)N2)n1 1099682941 RUCKZVPEUKIJEP-LDYMZIIASA-N 317.353 -0.355 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)c2cncs2)[C@@H](O)C1 1099698344 NDWRUPOIYTXKGY-MNOVXSKESA-N 324.406 -0.390 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)C2=CCOCC2)[C@@H](O)C1 1099783023 KIDZSHLJJGMCMV-KGLIPLIRSA-N 323.393 -0.813 30 20 DBED CC(C)(C)C#CC(=O)N[C@@H]1CCN(CCOCCO)C[C@H]1O 1099829819 IWJREVKSRKGQRP-ZIAGYGMSSA-N 312.410 -0.404 30 20 DBED C=C(Cl)C(C)(C)C(=O)N[C@@H]1CCN(CC(N)=O)C[C@@H]1O 1099850127 MSQWYDFPEPKRPG-ZJUUUORDSA-N 303.790 -0.198 30 20 DBED C#CCN1CC[C@H](NC(=O)CCCCc2cnn[nH]2)[C@@H](O)C1 1099933492 PGBXTAYHOVVPSQ-KBPBESRZSA-N 305.382 -0.298 30 20 DBED COCC#CCN1CC[C@H](NC(=O)C2(CN(C)C)CC2)[C@H](O)C1 1099971978 PBMGNSMPUNWUFX-LSDHHAIUSA-N 323.437 -0.471 30 20 DBED C#CCN1CC[C@H](NC(=O)C(C)(C)NC(=O)NCC=C)[C@H](O)C1 1100128890 FGLATOUNUMILHS-QWHCGFSZSA-N 322.409 -0.565 30 20 DBED CC#CCN1CC[C@H](NC(=O)CCCCC(=O)NC)[C@H](O)C1 1100133637 DFXLTOKZIYSKAR-UONOGXRCSA-N 309.410 -0.133 30 20 DBED CCN(CCNC(=O)CS(C)(=O)=O)c1ccncc1C#N 1100470363 KEOWINLUYNZKNG-UHFFFAOYSA-N 310.379 -0.060 30 20 DBED CCN(CCNC(=O)c1cc(=O)n(C)o1)c1ccnc(C#N)n1 1100506137 ILFDCVYGWWBERM-UHFFFAOYSA-N 316.321 -0.104 30 20 DBED CCN(CCNC(=O)[C@@H]1CC(=O)N(C)C1)c1cnc(C#N)cn1 1100749372 VSXILBNRDQNYAO-LLVKDONJSA-N 316.365 -0.231 30 20 DBED Cn1nnc(C(=O)NCCN(c2nccnc2C#N)C2CC2)n1 1101424130 YULGVRIVDGAJJR-UHFFFAOYSA-N 313.325 -0.729 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](C)[C@H](CNC(=O)CCOC)C1 1101666815 CAWCTHKDQOLQMF-MGPQQGTHSA-N 309.410 -0.155 30 20 DBED C#CCN1C[C@@H](C)[C@H](CNC(=O)CNS(=O)(=O)CC)C1 1102016929 WIZJTPIXCPXGSE-VXGBXAGGSA-N 301.412 -0.757 30 20 DBED C#CCN1C[C@@H](C)[C@H](CNC(=O)CCCN2C(=O)CNC2=O)C1 1102561609 JKJRPBUSXRMKMT-CHWSQXEVSA-N 320.393 -0.364 30 20 DBED CNC(=O)NCCC(=O)NC[C@H](C)CNc1cncc(C#N)n1 1103928727 DWAYRHMCULSQOJ-SNVBAGLBSA-N 319.369 -0.168 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)CCn1ccnn1 1103941837 OMIGPGODGLSGBD-LLVKDONJSA-N 314.353 -0.384 30 20 DBED C[C@H](CNC(=O)[C@@H]1CCNC1=O)CNc1ccc(C#N)nn1 1104157289 JEZFVRPGUNDEKY-GXSJLCMTSA-N 302.338 -0.351 30 20 DBED C=CCCNCc1cn(C2CN(C(=O)CNC(C)=O)C2)nn1 1105142681 QPWIQQAXJDNLFK-UHFFFAOYSA-N 306.370 -0.537 30 20 DBED CC#CCNCc1cn(C2CN(C(=O)c3cnnn3C)C2)nn1 1105225650 YHVSAVHSVVKGJI-UHFFFAOYSA-N 314.353 -0.783 30 20 DBED C#CCNC(=O)CNC1CCC2(CC1)CN(C(C)=O)CCO2 1105449705 ZROZRBPWDDHTMZ-UHFFFAOYSA-N 307.394 -0.115 30 20 DBED CC#CCN1CC(OC2CCN(C(=O)[C@H](C)NC(N)=O)CC2)C1 1105702849 GZJIAHZCNLRTBM-LBPRGKRZSA-N 322.409 -0.242 30 20 DBED CC(=O)CCCC(=O)NC[C@@H](O)CNc1cnc(C#N)cn1 1105719890 MVOHYDVAAIYTJR-LBPRGKRZSA-N 305.338 -0.003 30 20 DBED COc1cc(C(=O)NC[C@H](O)CNc2cncc(C#N)n2)on1 1105794157 BRCJQEGAEYYVGO-SECBINFHSA-N 318.293 -0.452 30 20 DBED C#CCOCCC(=O)NC[C@H](O)CNc1nc[nH]c2ncnc1-2 1105967238 XWEKJVZNYYHIAC-JTQLQIEISA-N 318.337 -0.767 30 20 DBED N#Cc1nc(=NC[C@H](O)CNC(=O)[C@@H]2CC23CCC3)cc[nH]1 1106130577 WPOMFZUIDMXTKF-QWRGUYRKSA-N 301.350 -0.151 30 20 DBED C#CCC1(C(=O)N2C[C@@H](C)[C@H](CNCC(N)=O)C2)CCOCC1 1106234994 HCOJVUOEPIDGSN-ZIAGYGMSSA-N 321.421 -0.024 30 20 DBED C[C@@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)COCCN(C)C 1106381788 QUCFILSQCBNJOB-LBPRGKRZSA-N 320.397 -0.345 30 20 DBED C[C@H](CCNc1cncc(C#N)n1)NC(=O)[C@@H]1CCNC1=O 1106514875 CQLOFNKIPTZEFN-MWLCHTKSSA-N 302.338 -0.209 30 20 DBED CNC(=O)[C@@H](C)N1CC(n2cc(CNC(=O)[C@@H](C)C#N)nn2)C1 1107149767 PZFHKBRBRQCJLO-VHSXEESVSA-N 319.369 -0.955 30 20 DBED Cn1cc(C(=O)NC/C=C\CN=c2cc[nH]c(C#N)n2)ccc1=O 1107587331 SAKMGUFFBTVCNY-IHWYPQMZSA-N 324.344 -0.133 30 20 DBED CC[C@]1(C(=O)NC[C@]2(C)CN(CC#N)CCO2)CCNC1=O 1108008446 QJXPLVSHGWFWFE-CABCVRRESA-N 308.382 -0.367 30 20 DBED C=CCOCCN1CCN(C(C)=O)[C@@H]2CS(=O)(=O)C[C@@H]21 1108450386 PGMOZUDNIVPKNC-QWHCGFSZSA-N 302.396 -0.481 30 20 DBED C=CCOCC(=O)N1C[C@H]2C[C@@H](NCC(=O)NCC#N)C[C@H]1C2 1108649493 LYLFXNGFNIWWTG-BFHYXJOUSA-N 320.393 -0.202 30 20 DBED C[C@H](CN(C)c1cnc(C#N)cn1)NC(=O)[C@H]1CN(C)CCO1 1108905546 LZIBXSSNVJDWPT-DGCLKSJQSA-N 318.381 -0.380 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cn[nH]c1 1108974396 WGSQNHABKVLEOT-AGIUHOORSA-N 301.350 -0.506 30 20 DBED CCNC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC#CCOC 1109176712 FEBGNFIPSWDDMN-RDBSUJKOSA-N 307.394 -0.116 30 20 DBED CN(CCCN=c1cc[nH]c(C#N)n1)C(=O)c1cn(C)nn1 1109425993 VZVOWYDDMGWLCW-UHFFFAOYSA-N 300.326 -0.527 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1c[nH]nc1C 1109580919 BADOTMJCNXNWDR-XBFCOCLRSA-N 315.377 -0.197 30 20 DBED C#CCNC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)COCC 1110260267 AVVGSGXCFJOJGH-DGAVXFQQSA-N 307.394 -0.118 30 20 DBED N#Cc1nccnc1NC1(CNC(=O)[C@@H]2CCNC2=O)CC1 1110301619 LEWFCKNWFWFJNV-SECBINFHSA-N 300.322 -0.455 30 20 DBED N#Cc1nccnc1N1CC[C@](O)(CNC(=O)[C@H]2CCCO2)C1 1111030941 ACOIVJSRFMYWSZ-DOMZBBRYSA-N 317.349 -0.415 30 20 DBED CC(=O)NCC(=O)N1C[C@@H]2CN(c3ccc(C#N)nc3)C[C@@H]2C1 1111286372 IUMRWWDISAKFGH-BETUJISGSA-N 313.361 -0.016 30 20 DBED C#CCCN1CCC2(CC1)CN(C(=O)CNC(N)=O)C[C@H](C)O2 1111536083 ZHNMUTWMQHNCBU-ZDUSSCGKSA-N 322.409 -0.240 30 20 DBED CC(=O)NCC(=O)N1CCO[C@H](CNc2ncccc2C#N)C1 1111929575 LNXWADDZALTEAT-CYBMUJFWSA-N 317.349 -0.271 30 20 DBED C#CCOCCC(=O)N1CCN([C@H]2CCCN(C)C2=O)CC1 1112843900 LSMPMKUYTNQZLI-AWEZNQCLSA-N 307.394 -0.209 30 20 DBED C[C@@H](CNC(=O)CN1CCCC1=O)N(C)c1cnc(C#N)cn1 1113488933 NKQKKGQUNDQZKN-NSHDSACASA-N 316.365 -0.088 30 20 DBED N#CCSCC(=O)NC1[C@@H]2CN(CC(=O)NC3CC3)C[C@@H]12 1113890887 IUNVFQPFBGRULZ-GHMZBOCLSA-N 308.407 -0.432 30 20 DBED C#CCCCC(=O)N[C@H]1[C@@H]2CN(CC(=O)NCCCOC)C[C@@H]21 1114198289 ABHFLURQCPMCKC-HALDLXJZSA-N 321.421 -0.011 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)CCOCC3CC3)[C@H]2C1 1114275541 HRVMONFSZQKMNP-HALDLXJZSA-N 319.405 -0.401 30 20 DBED N#Cc1cncc(N2C[C@H]3CC[C@H]2CN3C(=O)CNC(N)=O)n1 1114380936 QVRVPSLWKFRDGS-WDEREUQCSA-N 315.337 -0.804 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1[C@H]2CN(C[C@@H](O)COC)C[C@H]12 1114420337 FLOJEAHAICOOLA-QPSCCSFWSA-N 321.421 -0.862 30 20 DBED CCCC(=O)NCC(=O)N(C)C[C@@H](C)N=c1cc[nH]c(C#N)n1 1115627100 QTLHFLHIFBUAII-LLVKDONJSA-N 318.381 -0.055 30 20 DBED CNC(=O)CCNC(=O)C(=O)Nc1ccc(F)cc1OCC#N 1116272729 JURLKMSTSOIMMK-UHFFFAOYSA-N 322.296 -0.081 30 20 DBED N#CC[C@H]1CCCN(C(=O)C(=O)N2CCN3CCOC[C@@H]3C2)C1 1118450056 UBNWPMDNEAMZGU-KGLIPLIRSA-N 320.393 -0.318 30 20 DBED C=C(C)Cn1nnnc1N1CCN(S(=O)(=O)C2CC2)CC1 1119648524 XPYCCYKHKODYBH-UHFFFAOYSA-N 312.399 -0.137 30 20 DBED CNC(=O)NCC(=O)N(C)C[C@@H](C)Nc1cncc(C#N)n1 1120819255 YIBMRXZSRCBJLR-SECBINFHSA-N 305.342 -0.464 30 20 DBED C#CCO[C@H](C)C(=O)NC1CC2(C1)CC(N[C@@H](C)C(N)=O)C2 1121096934 HFUHQDYPQCBXGI-JLOJLOINSA-N 307.394 -0.085 30 20 DBED CCc1cc(C(=O)NC[C@H](CO)N=c2cc[nH]c(C#N)n2)n[nH]1 1121137099 TYKKXIZDUPCBFG-SNVBAGLBSA-N 315.337 -0.742 30 20 DBED CNC(=O)NCC(=O)NC1CC2(CC(NCC#CCOC)C2)C1 1121200587 VCSLAFCVOHHNLB-UHFFFAOYSA-N 322.409 -0.418 30 20 DBED COCc1nc(N[C@H](CO)CNC(=O)[C@H](C)C#N)cc(OC)n1 1121214091 WNEVLNBHKFWURI-ZJUUUORDSA-N 323.353 -0.320 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)C[C@H]2COC(=O)C2)cn1 1121302699 GQWSLPGEJRLTPJ-ZWNOBZJWSA-N 318.333 -0.205 30 20 DBED Cc1cc(C(=O)NC[C@H](CO)Nc2cnc(C#N)cn2)cnn1 1121359827 NSKAFHUAVDYWPL-GFCCVEGCSA-N 313.321 -0.351 30 20 DBED N#Cc1nc(=N[C@@H](CO)CNC(=O)c2cc(Cl)no2)cc[nH]1 1121481723 RHMXSGPMFWZTKE-SSDOTTSWSA-N 322.712 -0.386 30 20 DBED Cn1ccc(CC(=O)NC[C@@H](CO)Nc2nccnc2C#N)n1 1121482398 XTNXWEFRAUSXLT-NSHDSACASA-N 315.337 -0.787 30 20 DBED CC(C)C#CC(=O)NC[C@@H](CO)Nc1ncnc2c1cnn2C 1121520504 OKBOSZXLZDSXNY-NSHDSACASA-N 316.365 -0.088 30 20 DBED CCc1nc[nH]c1C(=O)NC[C@@H](CO)Nc1cnc(C#N)cn1 1121875274 OAPFZPVTTGXQOC-JTQLQIEISA-N 315.337 -0.163 30 20 DBED COCC1(C(=O)NC[C@H](CO)N=c2cc(C)[nH]cc2C#N)CC1 1122246766 VOTIYRZSLPQGLP-CYBMUJFWSA-N 318.377 -0.001 30 20 DBED C#CCN(C)c1nnc(-c2cn(CCO)nn2)n1CCOC 1122368199 HJJGVRDHARJEDM-UHFFFAOYSA-N 305.342 -0.755 30 20 DBED CCc1n[nH]cc1C(=O)NC[C@H](CO)Nc1ccc(C#N)nn1 1122828655 HWDKQBNRJWWYOE-SNVBAGLBSA-N 315.337 -0.163 30 20 DBED CN(C[C@@H](O)CNc1cnc(C#N)cn1)C(=O)c1cc[nH]n1 1124046667 PDRYHIPTXNZWNR-JTQLQIEISA-N 301.310 -0.384 30 20 DBED COC[C@H](OC)C(=O)N(C)C[C@H](O)CNc1ccc(C#N)nn1 1124721454 NQXZWQSYNRNKJU-NEPJUHHUSA-N 323.353 -0.759 30 20 DBED CN(C[C@H](O)CN(C)c1ccc(C#N)nc1)C(=O)CC(N)=O 1125023769 HKHIGWVXUAQMIB-GFCCVEGCSA-N 305.338 -0.916 30 20 DBED C#CCNC(=O)CC(=O)NCCNCc1cn(CC2CC2)nn1 1125978153 MSDOCOAGNGQYJY-UHFFFAOYSA-N 318.381 -0.967 30 20 DBED C=C(C)CN(CC)C(=O)CNCCNC(=O)Cc1n[nH]c(C)n1 1126912461 NTXVIMJIYVAVHV-UHFFFAOYSA-N 322.413 -0.214 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@@H]1C[C@H]1c1ccncc1 1127670020 BLPRLUQDRSHNBN-UONOGXRCSA-N 300.362 -0.360 30 20 DBED C=C(C)[C@H](CC(=O)NCCN[C@@H]1CCC(=O)NC1=O)OCC 1128528652 QUXODZBKCRKSRV-NEPJUHHUSA-N 311.382 -0.131 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@H]1CCCc2nccn21 1129436410 PIGAUNJGJSDNKG-QWHCGFSZSA-N 317.393 -0.396 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)[C@H]1CCCNC1=O 1129956861 FRAHAQLJXXSMGK-ZDUSSCGKSA-N 322.409 -0.581 30 20 DBED COCCO[C@H](C)C(=O)N1C[C@H](n2ccnn2)[C@H](NCC#N)C1 1130026527 SURGWAWFDYYBTQ-UPJWGTAASA-N 322.369 -0.805 30 20 DBED C#CCN[C@@H]1CN(C(=O)CNC(=O)CC)C[C@H]1c1cn(C)cn1 1130532025 QFKMORDDCNLUNV-GXTWGEPZSA-N 317.393 -0.537 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)[C@H]2CCC(=O)N2C)C1=O 1132764839 ZHMJLRPEHJGDQI-VXGBXAGGSA-N 308.382 -0.900 30 20 DBED C#CCNC(=O)CNCCNC(=O)C[C@H]1CCCCN1C(C)=O 1135199752 HZDXOKAHVUJBSX-CQSZACIVSA-N 322.409 -0.767 30 20 DBED N#Cc1ccc(CNCCNC(=O)CCn2cnnn2)cc1F 1135677546 OCVVZVJZNVDMOX-UHFFFAOYSA-N 317.328 -0.020 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)Cn1ccnc1 1146771649 OYKNQEIFSPWBND-CHWSQXEVSA-N 305.382 -0.495 30 20 DBED C=CCN1CCCO[C@H](CNC(=O)C(=O)NCC(F)F)C1 1149931257 ZALHVAQGJZXVAT-SNVBAGLBSA-N 305.325 -0.239 30 20 DBED CO[C@@H](C(=O)NC[C@@H]1CN(CC#N)CCCO1)c1cnn(C)c1 1150036191 NINXSZLKBFKVAX-ZIAGYGMSSA-N 321.381 -0.162 30 20 DBED C=C(Br)CNCCNC(=O)CS(=O)(=O)NC 1151372367 AAOILAYYIDDTMI-UHFFFAOYSA-N 314.205 -0.850 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)c1nccn1CC 1153036139 JNDIBEPRROKYPB-GFCCVEGCSA-N 320.397 -0.017 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)c1c(C)ncn1C 1153923060 VCPWTIYXZOXSOF-LLVKDONJSA-N 320.397 -0.192 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@H]1CN2CCC1CC2 1158196512 NDHHIBAFAADLBN-AWEZNQCLSA-N 308.426 -0.274 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1cc2c([nH]1)CCOC2 1159740995 HXQWKAYIVCPZJK-UHFFFAOYSA-N 318.377 -0.454 30 20 DBED COCC1(CNC(=O)[C@@H](C)C#N)CCN([C@@H]2CCNC2=O)CC1 1162165947 RCDNCGIUBQHHNL-QWHCGFSZSA-N 322.409 -0.121 30 20 DBED CC(C)OCC(=O)NCCC1(CNCC(=O)NCC#N)CC1 1163699277 WANJTDFXBMSODA-UHFFFAOYSA-N 310.398 -0.073 30 20 DBED C[C@H](CCCCNCC(=O)NCC#N)NC(=O)[C@H]1C[C@H]1C(N)=O 1175290117 ZZXUBDVKUJVCMU-UTUOFQBUSA-N 323.397 -0.988 30 20 DBED C=CCNC[C@@H]1C[C@H]2CC[C@H]1N(C(=O)CS(=O)(=O)NC)C2 1177947035 NLAHFRDKOBPZJN-FRRDWIJNSA-N 315.439 -0.062 30 20 DBED C[C@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)CCc1ncc[nH]1 1178595391 VIGXTOIBRBIMAJ-RYUDHWBXSA-N 318.381 -0.439 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 1181906749 LLNREGIEFHRRAX-WCQYABFASA-N 313.361 -0.172 30 20 DBED C[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)CC[C@H]1CNCC#N 1184682301 CWNCANLPIZDJAW-NEPJUHHUSA-N 306.370 -0.820 30 20 DBED C#CCNC[C@@H]1CCN(C(=O)c2cn(C)c(=O)nc2O)C[C@@H]1C 1185682599 RMHRXYAAZPOTPC-RYUDHWBXSA-N 318.377 -0.193 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3cn[nH]c3)[C@@H]2C1 1186958840 OPFFCODJBYBMIX-WCQYABFASA-N 301.350 -0.695 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)C[C@@H](C)OC)[C@@H]2C1 1187217259 QAAMQNKPQWNTLO-HZSPNIEDSA-N 307.394 -0.307 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCCO2)C1 1191294331 LTUVOEISCZBLSG-JHJVBQTASA-N 311.382 -0.981 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)c2cscn2)C1 1191686764 JUWMOFUNWJJWAL-CKYFFXLPSA-N 322.390 -0.944 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(CC(=O)N2CCCCC2)C[C@H]1O 1192495670 WUQZGDHVQLWJRB-HUUCEWRRSA-N 321.421 -0.036 30 20 DBED C#CCNC(=O)[C@H](C)N1CCCN(C(=O)CN(C)C(C)=O)CC1 1194905634 UDOZGEOPPIBECI-ZDUSSCGKSA-N 322.409 -0.863 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@H](C)NC(=O)c2cccs2)C1 1195128409 JLBSXPMGNKSPOP-QJPTWQEYSA-N 321.402 -0.339 30 20 DBED C=CCCC(=O)N1CCCN(CC(=O)N2CCNC(=O)C2)CC1 1195191920 RFZPCQDWFZMGSN-UHFFFAOYSA-N 322.409 -0.555 30 20 DBED C#CCOCCC(=O)N1CCCN(CCN2CCNC2=O)CC1 1195832982 USRSREXQSLQRSO-UHFFFAOYSA-N 322.409 -0.414 30 20 DBED CC[C@H](NC(C)=O)C(=O)N1CCCN(CC(=O)NCC#N)CC1 1197227241 MQFMOJYGYPJUIY-ZDUSSCGKSA-N 323.397 -0.925 30 20 DBED CC(C)C#CC(=O)N1CCC(NCCN2C(=O)CNC2=O)CC1 1200448903 SVZXJOPVBKGFCP-UHFFFAOYSA-N 320.393 -0.222 30 20 DBED Cn1ccnc1COCC(=O)N1CCCO[C@@H](CNCC#N)C1 1200767001 KGMBWXYQJYANGN-ZDUSSCGKSA-N 321.381 -0.333 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)[C@H]2CO[C@@H](C)C2)CC1 1201336379 MSFMDQKFANEJGT-QWHCGFSZSA-N 307.394 -0.259 30 20 DBED C#CCNC[C@H]1CN(C(=O)c2ccc(C(N)=O)[nH]2)CCCO1 1201421154 SNXZJAKKKNWIFK-NSHDSACASA-N 304.350 -0.433 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)c2n[nH]cc2F)CC1 1206192809 GPURGRUTCKFANY-UHFFFAOYSA-N 321.356 -0.260 30 20 DBED C[C@@H]1OCC[C@@H]1C(=O)N1CCC(CNCC(=O)NCC#N)CC1 1206688113 JOBRPWAHKJUYRE-JSGCOSHPSA-N 322.409 -0.121 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)COC(C)(C)C 1206887008 RDHPZUIAPOYAEC-VXGBXAGGSA-N 310.398 -0.122 30 20 DBED COCC#CCN1C[C@@H](NC(=O)[C@H](C)S(C)(=O)=O)[C@H](C)C1 1207720599 TVWBXMLUWADGFY-FRRDWIJNSA-N 316.423 -0.494 30 20 DBED COCC#CCN1C[C@@H](NC(=O)C[C@H]2CCOC2)[C@H](OC)C1 1212057749 HPYGNWYANKCTLX-RBSFLKMASA-N 310.394 -0.122 30 20 DBED C#CCCN1C[C@@H](NC(=O)[C@]2(COC)CCOC2)[C@H](OC)C1 1213226471 QNVABCXJYAQSBW-FMKPAKJESA-N 310.394 -0.122 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CCCOCC2)C[C@H]1C 1214524976 WJJPWHHEJWYTMG-QLFBSQMISA-N 321.421 -0.011 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)c2cc(C)no2)C1 1219175506 KLSZOBUUCIWDEY-TUAOUCFPSA-N 322.365 -0.551 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@H](C)n2cccc2)C1 1219469629 SSEVYPMOJYKLMD-MJBXVCDLSA-N 320.393 -0.487 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(CC(=O)N2CCCC2)C[C@@H]1O 1219581860 VMMQMLKVUBAKPC-KGLIPLIRSA-N 307.394 -0.571 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@@H](C)NC(=O)c2ccoc2)C1 1219686573 QINNXTSMXXSIDO-BNOWGMLFSA-N 319.361 -0.418 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)[C@H](NC(N)=O)C(C)(C)C)C1 1220761759 BVTAXJKKEVXBQS-WOPDTQHZSA-N 312.414 -0.193 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@H]2CCN(Cc3cnn(C)n3)C[C@H]21 1221539339 WCYIKMQQVCPGFZ-GZBFAFLISA-N 317.393 -0.114 30 20 DBED COCC#CCN1CCC(CNC(=O)[C@H]2COCCO2)CC1 1222416872 QTZUGSHWBPKVTQ-OAHLLOKOSA-N 310.394 -0.120 30 20 DBED C=CCCN1CCS(=O)(=O)[C@H](CCNC(=O)COC)C1 1230399148 OAXNAQKBSZIUAM-GFCCVEGCSA-N 304.412 -0.186 30 20 DBED COC(=O)[C@H]1CN(C(=O)C(=O)N2CCC[C@@](C)(C#N)C2)CCO1 1261321146 VJJVMNFZHQIGCB-ABAIWWIYSA-N 323.349 -0.461 30 20 DBED C=CCS(=O)(=O)CC(=O)N(CC)[C@@H]1CCS(=O)(=O)C1 1262166185 WQXOZTJASJBFCZ-SNVBAGLBSA-N 309.409 -0.377 30 20 DBED CO[C@@H](C(=O)N[C@@H]1CCN(CC(=O)NCC#N)C1)C1CCC1 1266333331 LJJYPNGECJFLHL-TZMCWYRMSA-N 308.382 -0.368 30 20 DBED O=C(NCCN/C(O)=C1\N=CC=CC1=O)NCC1(CO)CC1 1319038209 NMQPEXBTMNHVTK-VAWYXSNFSA-N 308.338 -0.416 30 20 DBED C#CCOCCNC(=O)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 1323261885 WXWHDWGZBOVVKZ-XQQFMLRXSA-N 306.362 -0.174 30 20 DBED C=CCOCCNC(=O)C(=O)N1CCC[C@H](C2OCCO2)C1 1327927459 OCYVLPOFCTWOEL-LBPRGKRZSA-N 312.366 -0.083 30 20 DBED C#CCC[C@H](O)CNC(=O)CNS(=O)(=O)c1ccccc1 1330015514 GFCCONRWISITBB-LBPRGKRZSA-N 310.375 -0.145 30 20 DBED C=CCCOCCn1nnnc1N1CC[C@H](S(C)(=O)=O)C1 1334242331 YXXIMDPKJQAULR-NSHDSACASA-N 315.399 -0.111 30 20 DBED N#CC[C@H]1CCCN(C(=O)C(=O)N2CCOC[C@H]2CCO)C1 1335185612 CHGLFHVZWCEYTK-CHWSQXEVSA-N 309.366 -0.252 30 20 DBED N#CCNC(=O)[C@H]1C[C@H](O)CN1C(=O)Cc1ccccc1F 1335771898 IKYVKXTVKNHARJ-WCQYABFASA-N 305.309 -0.030 30 20 DBED C#CCN(C)c1nnnn1C1CCN(C(=O)CCOC)CC1 1336073083 AFOQFKQTWMIGSA-UHFFFAOYSA-N 306.370 -0.058 30 20 DBED N#C[C@@H]1CCCN(C(=O)C(=O)N2CCC3(CC2)CNC(=O)C3)C1 1336419222 OLBHTOMYEROMOV-LBPRGKRZSA-N 318.377 -0.123 30 20 DBED CN(C)CCN(C)CCCNc1[nH]c(=O)n(C)c(=O)c1C#N 1336652504 VAONGLYIDDHYMD-UHFFFAOYSA-N 308.386 -0.759 30 20 DBED C#CCNC(=O)CCNC[C@@H]1CCC[C@@H]1NS(C)(=O)=O 1336810300 HFERJBLZZDGUNM-RYUDHWBXSA-N 301.412 -0.567 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCCN(C(=O)C2CC2)CC1 1340132552 NPHCOHDLHDBFRQ-UHFFFAOYSA-N 321.377 -0.777 30 20 DBED C=CCn1c([C@@H]2CC=NO2)nnc1N1CCO[C@H](C(=O)NC)C1 1342223997 AWCBFZVWADAEAF-QWRGUYRKSA-N 320.353 -0.138 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)C(=O)N2CCC3(CC2)OCCO3)C1 1349330442 JQAGLFQPOVJLFJ-CQSZACIVSA-N 323.349 -0.771 30 20 DBED C=CCCN(C)C(=O)C(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 1351905119 AKOQXCHAWSJDRN-LLVKDONJSA-N 317.411 -0.439 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CCN(c2cc(=O)n(C)c(O)n2)C1 1353141687 HIHCYAHIKORTKQ-WDEREUQCSA-N 320.349 -0.781 30 20 DBED COC(=O)C1(C#N)CCN(C(=O)C2(S(C)(=O)=O)CC2)CC1 1361436609 AUXKPLYYKUKMLT-UHFFFAOYSA-N 314.363 -0.131 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CCN(C(=O)c2ccc(C(N)=O)o2)C1 1385327238 GCPIUPMVMZHCCQ-DTWKUNHWSA-N 304.306 -0.131 30 20 DBED CCS(=O)(=O)CC(=O)N[C@H]1CCN(C(=O)[C@H](C)C#N)C1 1385581658 XQZNWCBXFLEXJV-ZJUUUORDSA-N 301.368 -0.702 30 20 DBED C[C@H](C#N)C(=O)NCCN(C)C(=O)[C@H]1CCCc2nn[nH]c21 1387082009 ONLFTGLPYREXFK-ZJUUUORDSA-N 304.354 -0.041 30 20 DBED C[C@H](C#N)C(=O)N(C)CCN(C)C(=O)C[C@@H]1CCN(C)C1=O 1389007102 LRTURYQYTYUHGZ-NEPJUHHUSA-N 308.382 -0.069 30 20 DBED Cc1cc(C)n(CCC(=O)NC[C@@H](O)CNC(=O)[C@H](C)C#N)n1 1389111928 VUMATBCVYCMUCF-ZWNOBZJWSA-N 321.381 -0.357 30 20 DBED C[C@H](C#N)C(=O)N1CCC(C)(CNC(=O)CCNC(N)=O)CC1 1394487196 UKSGKJOUWROGSA-LLVKDONJSA-N 323.397 -0.051 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)[C@@H]1C 1395827860 GZNRAGWPFPQLLX-BXKDBHETSA-N 317.349 -0.258 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CCN(C(=O)c2cc(=O)n(C)cn2)C1 1397152348 XQWMWFREENPVSF-ZJUUUORDSA-N 303.322 -0.729 30 20 DBED CC(=O)N(C)CC(=O)NCC[C@@H](C)NC(=O)c1ccc(C#N)[nH]1 1397754821 OUPUVIPGTPXNBH-SNVBAGLBSA-N 319.365 -0.011 30 20 DBED C[C@@H](CNC(=O)c1cccn2nnnc12)N(C)C(=O)[C@H](C)C#N 1404379334 UQQGJZUINQBWBB-ZJUUUORDSA-N 315.337 -0.139 30 20 DBED CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1cc(C#N)ccn1 1412975280 XAFCXGDPKCBYPK-LBPRGKRZSA-N 322.390 -0.312 30 20 DBED CCN1CCO[C@@H](C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H](C)C#N)C2)C1 1414197262 LMDMTDYTFLVEJH-IGQOVBAYSA-N 322.409 -0.122 30 20 DBED C[C@H](C#N)C(=O)N1CCN(CCNC(=O)[C@@H]2CCN(C)C2)CC1 1429781746 KQGSLSPTOLSIRC-ZIAGYGMSSA-N 321.425 -0.642 30 20 DBED C=C(Cl)CNC[C@H](NC(=O)[C@@H]1CC(=O)NC(=O)N1)C1CC1 1439484399 QIQFBWNOJSQVJU-UWVGGRQHSA-N 314.773 -0.179 30 20 DBED CN(C(=O)Cn1cc(C#N)c(O)nc1=O)[C@H]1CC(C)(C)OC1=O 1450333909 IXSIPRFSYROUNN-VIFPVBQESA-N 320.305 -0.627 30 20 DBED C[C@H](C#N)C(=O)NC1CCN(C(=O)CCn2ccnn2)CC1 1453750844 GQNBYZAZPHGYGH-LLVKDONJSA-N 304.354 -0.065 30 20 DBED CCCN1C[C@@H](C(=O)N2CC(NC(=O)[C@@H](C)C#N)C2)CC1=O 1456399786 VXUYEEXNCWFMJO-QWRGUYRKSA-N 306.366 -0.268 30 20 DBED N#Cc1cccc(C(=O)NCCc2nnc3n2CCNC3=O)n1 1471864108 FMETWXMAQBNGFD-UHFFFAOYSA-N 311.305 -0.739 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)C[C@@H]2CCC(=O)NC2)C1 1480615675 PAPBYTBRTUPOLB-STQMWFEESA-N 322.409 -0.605 30 20 DBED C[C@H](C#N)C(=O)NCC1(NCC(=O)NC(=O)NC2CC2)CCC1 1484627434 BCDLNSKKQTWKTC-SNVBAGLBSA-N 321.381 -0.237 30 20 DBED COc1ccc(CNC(=O)[C@H]2CN(C)C(=O)CN2)cc1C#N 1579213292 HWSIOLFCHFTPRZ-GFCCVEGCSA-N 302.334 -0.387 30 20 DBED N#C[C@@H]1CNCC12CC(C(=O)NCCC(=O)N1CCOCC1)C2 1580044068 VUCPWBAJTLOMIK-MFOWVQHXSA-N 320.393 -0.509 30 20 DBED C#CC[C@@H](NC(=O)COCC(=O)NCc1cccnc1)C(=O)O 1588404715 HBBVLYCICYCFQM-GFCCVEGCSA-N 319.317 -0.693 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@]2(CC(C(=O)O)=NO2)C1 1588476770 GLHJHWLUFPWWEZ-WFASDCNBSA-N 305.334 -0.084 30 20 DBED C=C(CCC(=O)O)C(=O)N1C[C@H](C(=O)OC)[C@@H](C(=O)OC)C1 1588612200 KVKSLPFMQXFFCK-UWVGGRQHSA-N 313.306 -0.172 30 20 DBED C=C(CO)C(=O)Nc1cccc(S(=O)(=O)NCC(=O)O)c1 1588637053 DNUWSDJWTFFVKN-UHFFFAOYSA-N 314.319 -0.464 30 20 DBED N#Cc1cn(CCNC(=O)C2(C(=O)O)CCC2)c(=O)nc1O 1594632747 AVGMXJFSWJXAPJ-UHFFFAOYSA-N 306.278 -0.808 30 20 DBED CN1CCN(S(=O)(=O)c2ccc(C#N)cn2)C[C@H](C(=O)O)C1 1598621050 IVWLOIUBPNMAEU-LLVKDONJSA-N 324.362 -0.410 30 20 DBED N#Cc1cccnc1NCCN(CCO)C(=O)[C@@H]1C[C@H]1C(=O)O 1601128066 GMULXMKNNHSZJX-VXGBXAGGSA-N 318.333 -0.093 30 20 DBED N#Cc1c[nH]c(C(=O)NCC2CN(C(=O)[C@@H]3C[C@H]3C(=O)O)C2)c1 1608195023 CCLTZPBUKNCWRU-GHMZBOCLSA-N 316.317 -0.205 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCO[C@H](CC(=O)O)C1 1609994044 TUXXQLFOXMAUEQ-GHMZBOCLSA-N 319.383 -0.112 30 20 DBED COC(=O)c1nscc1S(=O)(=O)N1CCOC[C@H]1C#N 1645627198 NDJLNWNXEVTSQO-SSDOTTSWSA-N 317.348 -0.157 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](NCC(=O)NC(=O)NC)C1 1752664981 FFVIOMKBVUGJJQ-KKOKHZNYSA-N 324.381 -0.730 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CCCN1CCN1C(=O)CNC1=O 1753105335 NHLWPPFPZKHMRD-ZDUSSCGKSA-N 318.377 -0.468 30 20 DBED CNS(=O)(=O)CCC(=O)N1CCC([C@H](C)NCC#N)CC1 1753276082 YOBLSHIJUILZSK-NSHDSACASA-N 316.427 -0.334 30 20 DBED C=CCNC(=O)[C@H](C)N1CC(NC(=O)[C@H]2CCNC(=O)CC2)C1 1753382789 WDUAHQRFMIGWJS-NWDGAFQWSA-N 322.409 -0.606 30 20 DBED C=C[C@](C)(O)CC(=O)N(C)[C@H]1CCN(Cc2nnn(C)n2)C1 1753435509 SUJXTBNPVDCIBK-FZMZJTMJSA-N 308.386 -0.430 30 20 DBED C[C@@H](C#N)C(=O)N[C@](C)(CNCCN1C(=O)CNC1=O)C1CC1 1753515323 YDUBRLQDRWRDTD-ZUZCIYMTSA-N 321.381 -0.428 30 20 DBED C#CCN1CCC(C(=O)NC[C@H](O)CN[C@H](C)COC)CC1 1753946056 CXHJXRPBISPZRD-UKRRQHHQSA-N 311.426 -0.567 30 20 DBED C#CCNC(=O)CNCC[C@@H](C)NC(=O)[C@]1(C)CCNC(=O)C1 1753975457 GBYLQAIYVGZRDH-MLGOLLRUSA-N 322.409 -0.864 30 20 DBED CC#CCCCC(=O)N[C@H](C)CNCCN1C(=O)CNC1=O 1754239882 VZLCWZOAMVKPRY-GFCCVEGCSA-N 308.382 -0.174 30 20 DBED COCC#CCNCCCN(C)C(=O)[C@@H]1CCCN1C(N)=O 1754419344 SIYKBNVDGBNGBU-ZDUSSCGKSA-N 310.398 -0.383 30 20 DBED C#CCOCCC(=O)N[C@@H]1[C@H]2C[C@H]1N(CC(=O)NCC=C)C2 1754422685 KGQJCBPYFNYNDR-WOSRLPQWSA-N 305.378 -0.483 30 20 DBED CC#CCN1CCC[C@](CO)(NC(=O)[C@@H]2CC(=O)N(CC)C2)C1 1754856452 LLAFIDBEMBZOQJ-PBHICJAKSA-N 321.421 -0.179 30 20 DBED CC[C@H](NC(C)=O)C(=O)NC[C@@H]1CCC2(CN(CC#N)C2)O1 1755055864 PVOWLCYIOMHNES-STQMWFEESA-N 308.382 -0.226 30 20 DBED Cc1cnn(C)c1C(=O)N1C[C@@H](C)[C@@H](NCC(=O)NCC#N)C1 1755113193 FHJMXADVLQDOBB-NEPJUHHUSA-N 318.381 -0.582 30 20 DBED C#CCNC(=O)CNCCC[C@@H](C)NC(=O)c1cnnc(O)c1 1755503039 ZGWGSOYLVNIZHP-LLVKDONJSA-N 319.365 -0.580 30 20 DBED C#Cc1cncc(C(=O)NC[C@H](CO)NCc2nccn2C)c1 1755637964 KUCBREIGDPBCCU-CQSZACIVSA-N 313.361 -0.323 30 20 DBED COCC#CCN[C@H]1CCN(C(=O)c2nnn(C)c2C)[C@@H]1C 1755650197 HZTHKCICMOWFFT-YPMHNXCESA-N 305.382 -0.034 30 20 DBED Cc1cc(C(=O)N2C[C@@H](NCC(=O)NCC#N)C[C@@H]2C)on1 1755671308 XNHUZCDBRFFPKF-QWRGUYRKSA-N 305.338 -0.185 30 20 DBED C=CC(C)(C)C(=O)N(C)C[C@@H](O)CN[C@H](C)c1nnnn1C 1755784956 FAAWEPXKIRYHDU-MNOVXSKESA-N 310.402 -0.108 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)C[C@@H](O)CNC(=O)C(F)F 1756667903 DEHRKFZFMOZGON-QWRGUYRKSA-N 317.336 -0.715 30 20 DBED CC(C)C#CC(=O)NC[C@H](O)CN(C)C(=O)[C@@H]1[C@H]2COC[C@H]21 1756674695 QLZMMJMCMKYXJI-RMRHIDDWSA-N 308.378 -0.526 30 20 DBED COC(=O)Cc1coc(/C=C\C(=O)c2cn(CC(=O)O)nn2)n1 1777109689 MLROJIOHLOLORN-IHWYPQMZSA-N 320.261 -0.038 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)Cc1cnn(C)c1)CCO2 1783054666 ZXFXNZYQDRAXSG-MRXNPFEDSA-N 316.361 -0.574 30 20 DBED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3[nH]cnc3C)[C@H]2C1 1787650787 CZELAORYAQUYAM-AVGNSLFASA-N 316.361 -0.055 30 20 DBED O=C(O)C#CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1CCCC1 1847301891 PRCIWWUBWMYWGP-STQMWFEESA-N 319.361 -0.628 30 20 DBED C#CCN1CCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 29584778 YKMVOMXRUFPVJJ-UHFFFAOYSA-N 324.362 -0.003 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN([C@@H](C)C(=O)NC2CC2)CC1 42570845 QERBBHSNDFFDJY-OLZOCXBDSA-N 306.410 -0.591 30 20 DBED C=CCN(CC=C)CC(=O)N1CCN(CC(=O)N(C)C)CC1 52868600 TVLXVWOSTXQSRZ-UHFFFAOYSA-N 308.426 -0.107 30 20 DBED N#Cc1cnn(C(=O)Cn2nc3n(c2=O)CCCCC3)c1N 124086546 VWZFCDKBFYHEIA-UHFFFAOYSA-N 301.310 -0.238 30 20 DBED CN(CCC#N)C(=O)CCN1CCC[C@@H](NS(C)(=O)=O)C1 131411836 RVOZZSBQESZCHQ-GFCCVEGCSA-N 316.427 -0.238 30 20 DBED C=CCN1CCC(NC(=O)N2C[C@@H](C)O[C@@H](C(N)=O)C2)CC1 177239618 WTLQRSIDIAQWEJ-DGCLKSJQSA-N 310.398 -0.079 30 20 DBED N#Cc1ccc(Cl)c(S(=O)(=O)NCCOCC(N)=O)c1 228903643 YMCIYCHABZKQQR-UHFFFAOYSA-N 317.754 -0.008 30 20 DBED C[C@@H](C(=O)N(C)CCC#N)N1CCC[C@@H](NS(C)(=O)=O)C1 249709045 CLSIYUIHXMEPSE-NWDGAFQWSA-N 316.427 -0.239 30 20 DBED CN1CC[C@H](O/N=C(\N)C2=C(N)C3(CCCC3)N(C)C2=O)C1=O 265376172 PVCYHIWWAWZXFC-VIFPVBQESA-N 321.381 -0.497 30 20 DBED C=CCn1c(S[C@H](C)C(=O)NCC(=O)OC)n[nH]c1=O 268308988 JEHPVBYVMSGPNB-SSDOTTSWSA-N 300.340 -0.473 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H]2C[C@@H](C)O)C1=O 269865777 DRSALJUHONDXKL-MNOVXSKESA-N 323.349 -0.275 30 20 DBED COc1ncnc(N(C)C)c1NC(=O)C(=O)N[C@@H](C)CC#N 276066724 RXCFJQYUHFJCLY-QMMMGPOBSA-N 306.326 -0.092 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@](C)(O)C2CC2)CC1 286253780 VKCQDTDEFWHBTD-MRXNPFEDSA-N 307.394 -0.569 30 20 DBED C[C@@H](C(=O)NC(N)=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 292047686 AYNYAQWWFBTSNK-ONGXEEELSA-N 303.322 -0.010 30 20 DBED Cn1c(N[C@H]2CCCN(CCCO)C2)c(C#N)c(=O)n(C)c1=O 295047124 XGDOZVQOHFUGCD-NSHDSACASA-N 321.381 -0.786 30 20 DBED COCc1nc2n(n1)C[C@H](/N=C(/O)N1CCN=C(O)C1)CC2 329685954 BGNSIIUDULWRDX-SECBINFHSA-N 308.342 -0.075 30 20 DBED CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)C#N)cc1 330441188 DLGTUESBQBCOIR-QMMMGPOBSA-N 303.365 -0.215 30 20 DBED CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCN(C(=O)[C@H](C)O)CC1 330582737 RDQVVACJVFWXML-DVOMOZLQSA-N 324.425 -0.046 30 20 DBED CC[C@@H](C#N)NC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cnn(C)c1 330991307 MWNCVSWCKMWNOQ-WCFLWFBJSA-N 305.338 -0.263 30 20 DBED CCC[C@H](CCO)CNS(=O)(=O)N1CCO[C@@H](C#N)C1 337086374 FAIDQURGSQXYDH-NEPJUHHUSA-N 305.400 -0.156 30 20 DBED CCOC(=O)[C@H]1CC[C@H](C(=O)OCC)N1CC(=O)NCC#N 338327274 YUCXUTIHFKNFEN-GHMZBOCLSA-N 311.338 -0.415 30 20 DBED C=CC[C@H](CO)CNC(=O)C(=O)Nc1c(C)ccn(C)c1=O 341431620 KQROGCIPAQHTMU-NSHDSACASA-N 307.350 -0.067 30 20 DBED N#CCNC(=O)CNC(=O)CCNC(=O)Cc1ccccc1 343538481 IUGALDCQHOHSIT-UHFFFAOYSA-N 302.334 -0.509 30 20 DBED N#Cc1ccc(NCC(=O)NC[C@H]2CN(C3CC3)CCO2)nc1 345431573 WJGYLTNPVLMCCH-AWEZNQCLSA-N 315.377 0.345 30 20 DBED CC(=O)N1CCN(C(=O)[C@@H](C)n2nc(C)c(C#N)c2N)CC1 348808133 ZNELFRQCAUUTNK-SNVBAGLBSA-N 304.354 -0.103 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N1C[C@@H]2CCS(=O)(=O)[C@H]2C1 352643039 DKAQOWGDJQKYCT-VWYCJHECSA-N 321.424 -0.416 30 20 DBED N#CCNC(=O)CNC(=O)N[C@@H]1COc2ccccc2[C@H]1O 365813307 MOMPCUYPICTGRL-ZWNOBZJWSA-N 304.306 -0.580 30 20 DBED CCS(=O)(=O)NCCNS(=O)(=O)c1ccc(C#N)s1 390335808 UPYFMGGGJGWODE-UHFFFAOYSA-N 323.421 -0.163 30 20 DBED Cc1c(C#N)cccc1NC(=O)C(=O)NCC(=O)NCCO 439254816 GCQARPKEHYPWFW-UHFFFAOYSA-N 304.306 -0.970 30 20 DBED N#Cc1ccc(NC(=O)C(=O)NCCOCC(N)=O)cc1Cl 441869113 PJDJFUINTPGUBT-UHFFFAOYSA-N 324.724 -0.232 30 20 DBED N#C[C@H]1CN(Cc2nnnn2CCOCC(F)(F)F)CCO1 447349511 NRHMBOBJRPPLQK-VIFPVBQESA-N 320.275 -0.024 30 20 DBED CC(=O)NCC(=O)N1CCCN(c2nc(C)cc(C#N)n2)CC1 528192656 NLVSMJZBYBKGLS-UHFFFAOYSA-N 316.365 -0.169 30 20 DBED C=C[C@@H]1OCC[C@H]1NC(=O)NCCS(=O)(=O)NC1CC1 560496282 TVWOXNKUXDCWQX-MNOVXSKESA-N 303.384 -0.289 30 20 DBED C=C(C)CS(=O)(=O)N1Cc2nnc(C)n2C[C@@H]1C(=O)O 663252612 NGEPNZGSUJYGMS-SECBINFHSA-N 300.340 -0.239 30 20 DBED N#CCNC(=O)COC(=O)CNc1ccc(-c2nn[nH]n2)cc1 737696002 NRBAAQMQFRBMGU-UHFFFAOYSA-N 315.293 -0.538 30 20 DBED CCOC(=O)C1=C(CN2CCOC[C@H]2C#N)NC(=O)N[C@@H]1C 746479226 VSXZOWXCJCUELY-NXEZZACHSA-N 308.338 -0.271 30 20 DBED C#Cc1ccc(C(=O)N(C)C[C@@H](O)CN2CCOCC2)cn1 751430432 DBXMCRDLRCZJHG-OAHLLOKOSA-N 303.362 -0.172 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 752509239 NMLYXSDEVNWIFQ-STQMWFEESA-N 318.377 -0.421 30 20 DBED CC[C@@H](C#N)OC(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1 756301061 LYYWQRVOBLXUHB-IUCAKERBSA-N 300.340 -0.068 30 20 DBED C=C(CN(C)C)C(=O)NCCN1CCN(c2ncccn2)CC1 764373953 REIMLGNNSXNYGN-UHFFFAOYSA-N 318.425 -0.167 30 20 DBED Cc1cc(NC(=O)c2cn(C)c(=O)n(C)c2=O)nn1CCC#N 767933872 OIWOATBSELEGIQ-UHFFFAOYSA-N 316.321 -0.245 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N1CCOC[C@H]1C[C@H](C)O 768429752 TWVGDCODIJUOMA-NWDGAFQWSA-N 320.411 -0.232 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1cc(O)nc(OC)n1 770517674 OEIIERUCQRERQU-SSDOTTSWSA-N 324.293 -0.252 30 20 DBED N#Cc1ncn(CC(=O)N[C@@H](CO)C[C@@H](O)c2ccccc2)n1 775784756 HYOQTEUMHIGKKX-CHWSQXEVSA-N 315.333 -0.249 30 20 DBED C=CCNC(=O)CNC(=S)NCCCN1CCOCC1 776735543 RPJIFAXTKIEFEP-UHFFFAOYSA-N 300.428 -0.525 30 20 DBED Cc1nc(Cl)ccc1S(=O)(=O)NCC(=O)NCC#N 805102103 LQOUIDCGVFQWRD-UHFFFAOYSA-N 302.743 -0.039 30 20 DBED COCCONC(=O)CNS(=O)(=O)c1cccc(C#N)c1 810479235 KXKKSKYEMZADAU-UHFFFAOYSA-N 313.335 -0.469 30 20 DBED C=CCCn1cc(C(=O)O[C@@H](C)C(=O)N2CCNC2=O)nn1 820982934 QZMFQLDSELRLNO-VIFPVBQESA-N 307.310 -0.049 30 20 DBED N#C[C@H]1COCCN1S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 822805660 AMTVPYAHQHYNGZ-JTQLQIEISA-N 320.334 -0.220 30 20 DBED N#CCOc1ccc(CNC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)cc1 825703920 IVYUNIVQAIRLPO-RBSFLKMASA-N 318.329 -0.382 30 20 DBED CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CNC[C@H]2C#N)c1 834516809 MEZHLOBKJNIUEM-DGCLKSJQSA-N 322.390 -0.174 30 20 DBED C=CCONC(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 838708367 SPHPFTMNMLECHG-LLVKDONJSA-N 321.399 -0.108 30 20 DBED C#C[C@H](NC(=O)CCN1C(=O)CCNC1=S)[C@@H]1CCCO1 847758809 OPBDSIDTCWCLKT-QWRGUYRKSA-N 309.391 -0.220 30 20 DBED C#CCN(CC(=O)N[C@H](CO)CN(C)C)C(=O)OC(C)(C)C 854467591 VXZZJIHKEOMTJT-LBPRGKRZSA-N 313.398 -0.105 30 20 DBED C[C@@H]1CCN(C(=O)C(=O)Nc2cnn(CC#N)c2)C[C@H]1CO 857002870 LYUSHONJZDUKEB-MNOVXSKESA-N 305.338 -0.178 30 20 DBED CNC(=O)[C@@H](C#N)C(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1 917002612 LYWOPAZAVKLNSO-CMPLNLGQSA-N 313.317 -0.439 30 20 DBED CN1CC(=O)N(CC(=O)NCCNc2ccc(C#N)cn2)C1=O 920444661 BWLXMHQPZVJVJE-UHFFFAOYSA-N 316.321 -0.625 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2CCCCN2C(=O)C(N)=O)nn1 937468721 UMNXQXIDRRSEAK-JTQLQIEISA-N 320.353 -0.940 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](NC(=O)c2cc(C(N)=O)c[nH]2)[C@H](C)C1 939541695 QZIRSFSJIDVCCN-YGOYTEALSA-N 317.349 -0.150 30 20 DBED C=CCCn1cc(C(=O)N2CCN([C@H]3CCNC3=O)CC2)nn1 951607886 YWCIXHSTIPGYAD-ZDUSSCGKSA-N 318.381 -0.500 30 20 DBED C#Cc1ccc(C(=O)N2CC(N(C)C(=O)c3cnn(C)n3)C2)cn1 954776868 PPCAKZSUZFVQJE-UHFFFAOYSA-N 324.344 -0.212 30 20 DBED C=C(C)CCN1C[C@H](CNC(=O)C2CS(=O)(=O)C2)[C@@H](O)C1 958095806 CBGFTGKADZCRPB-AAEUAGOBSA-N 316.423 -0.594 30 20 DBED C=CCN1C[C@H](CNC(=O)c2ccn3nnnc3c2)[C@@H](O)C1 958321124 SMRFDNPVRUGHBI-RYUDHWBXSA-N 302.338 -0.667 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1[C@@H]2CN(CC(=O)N(C)C)C[C@@H]21 961814094 LBPBLKAPVQMQBG-BIGJJFBESA-N 307.394 -0.288 30 20 DBED C=C1CCC(C(=O)NC[C@@H]2COCCN2C(=O)CC(N)=O)CC1 964337383 WBFIRCNDRVWLDU-CYBMUJFWSA-N 323.393 -0.048 30 20 DBED COCCn1cc(C(=O)N[C@H]2CN(CC#N)CC2(C)C)nn1 974591937 YWXVZIDKOFIXFZ-LBPRGKRZSA-N 306.370 -0.112 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2CN(CC(N)=O)CC2(C)C)c1 975011928 OUKSYPQWBAWEDP-CYBMUJFWSA-N 300.362 -0.012 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2[C@@H]3CN(C(=O)c4cnon4)C[C@@H]32)[nH]1 976360233 APEXMNKZEGLREK-GDGBQDQQSA-N 312.289 -0.230 30 20 DBED C[C@@H](C(=O)N[C@H]1[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]21)n1cncn1 976381572 XWANZABYEFRYOI-LVEVGFFFSA-N 302.338 -0.428 30 20 DBED Cc1nonc1CC(=O)N[C@H]1[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]21 977108588 YLJDQLDLZZVDKI-PZWLIILKSA-N 303.322 -0.347 30 20 DBED C=CCN1C[C@@]2(C)CN(C(=O)CN3CC(=O)NC3=O)C[C@@]2(C)C1 982652476 VBAUXSINGXQKGH-IYBDPMFKSA-N 320.393 -0.105 30 20 DBED COCCn1nc(C(=O)N2C[C@@H](NCC#N)C[C@H]2C)ccc1=O 989140888 CMFNHESTBWDZHG-NEPJUHHUSA-N 319.365 -0.394 30 20 DBED C=CCN[C@@H]1C[C@@H](C)N(C(=O)c2cc(=O)n3[nH]cnc3n2)C1 989673130 SOCQTQQHKJMLCE-NXEZZACHSA-N 302.338 -0.204 30 20 DBED O=C(N[C@@H]1CCN(C(=O)C#CC2CC2)C[C@H]1O)c1cncnc1 991406358 IFEBIXRYIAYFIT-ZIAGYGMSSA-N 314.345 -0.418 30 20 DBED CN1CCN(CC(=O)N[C@@]23CCC[C@H]2N(CC#N)CC3)CC1=O 991473385 OFDZSKAQRJLQPB-CZUORRHYSA-N 319.409 -0.603 30 20 DBED C=C(C)CN1CCC[C@H](NC(=O)c2cn(CC(N)=O)nn2)[C@@H]1C 994484709 JBUJIUIWADHTGH-RYUDHWBXSA-N 320.397 -0.078 30 20 DBED C=CCNC1CC(N(C)C(=O)c2c[nH]nc2S(N)(=O)=O)C1 999378591 DKAHPXQRCSBPSK-UHFFFAOYSA-N 313.383 -0.564 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 1000022790 UTNMZDVHQOJLRO-WYUUTHIRSA-N 307.350 -0.974 30 20 DBED C=CCCn1cc(C(=O)N[C@@H]2C[C@H](C)N(C(=O)C(N)=O)C2)nn1 1013983164 MNQZJRVXPTUJHV-VHSXEESVSA-N 320.353 -0.941 30 20 DBED C=CCN1CC[C@@H](N[C@H]2C[C@H](NC(=O)c3cn(C)nn3)C2)C1=O 1020126387 OCBXMOVMTQRIHE-IJLUTSLNSA-N 318.381 -0.548 30 20 DBED O=C(Cn1cncn1)N1C[C@@H]2CCN(C(=O)C#CC3CC3)[C@@H]2C1 1021592954 PZXHQONWQAUGSM-UONOGXRCSA-N 313.361 -0.249 30 20 DBED CC(=O)N1CCOC[C@@H]1C(=O)NC[C@H]1CCCCN1CC#N 1024807850 XLKPTNRVMMRKEM-ZIAGYGMSSA-N 308.382 -0.272 30 20 DBED CN(C)C(=O)[C@@H]1CC[C@H](C(=O)NC[C@@H]2CCCN2CC#N)O1 1028136305 LNQPGCQFRNUELH-XQQFMLRXSA-N 308.382 -0.274 30 20 DBED N#CCN1CCC[C@@H]1CNC(=O)c1cc(=O)n2[nH]cnc2n1 1028260940 QOOOAFRDSAWQBP-SECBINFHSA-N 301.310 -0.865 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)c3coc(OC)n3)C2)C1=O 1030750634 JBSQNWZADNXYGG-LBPRGKRZSA-N 320.349 -0.116 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCC1CN([C@H]2CCCNC2=O)C1 1031740473 CTWVFCPVLCMPRU-GJZGRUSLSA-N 318.421 -0.589 30 20 DBED CCN(C(=O)[C@@H]1CCN(C)S1(=O)=O)[C@H]1CCN(CC#N)C1 1033985947 KCCGFZYSIYLILX-RYUDHWBXSA-N 314.411 -0.533 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)[C@@H]2CCC(=O)N2C(C)C)C1 1035482826 JYZFTMOOMIEGGA-KBPBESRZSA-N 307.394 -0.164 30 20 DBED C=CCN1CCO[C@H](CNC(=O)c2ccoc2CC(N)=O)C1 1035487029 HKZJVNHBDKZUAE-LLVKDONJSA-N 307.350 -0.076 30 20 DBED C#CCN[C@H]1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)C[C@H]1C 1036203024 MPBFPOQVQSRQIL-YPMHNXCESA-N 318.377 -0.843 30 20 DBED CN1CC[C@H](N2CC[C@@H]2CNC(=O)c2cc(C#N)c[nH]2)C1=O 1038142223 BYUFYMAOWVJWRN-YPMHNXCESA-N 301.350 -0.079 30 20 DBED Cc1cc(C(=O)NCC2(O)CN(C(=O)CSCC#N)C2)on1 1041433457 QVGNOCDUSXDNDW-UHFFFAOYSA-N 324.362 -0.457 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@@H](C)OC)C1 1041769171 OBLZOTUYHYYQTA-UTUOFQBUSA-N 312.366 -0.698 30 20 DBED CO[C@@H](C)CC(=O)NCC1(O)CN(C(=O)c2ccc(C#N)[nH]2)C1 1041938463 SSFYJWGKRLTBSU-JTQLQIEISA-N 320.349 -0.386 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)c2cnnc(C)c2)C1 1042802512 LAUJAVWZGUHBEZ-UHFFFAOYSA-N 316.361 -0.108 30 20 DBED C=CCC(C)(C)C(=O)N1CC(O)(CNC(=O)c2cnnn2C)C1 1042854053 RLDPJYJISLWEMD-UHFFFAOYSA-N 321.381 -0.280 30 20 DBED C[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2)C[C@H]1Nc1cncc(C#N)n1 1043099194 NMQBEXPBMLRZSZ-YUSALJHKSA-N 314.349 -0.114 30 20 DBED CC#CCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCN(C)C2)C1 1045003647 ZYCYIEBMARGLHT-CQSZACIVSA-N 321.421 -0.179 30 20 DBED C=CCCOCC(=O)N1CC(O)(CNC(=O)c2ncccn2)C1 1045216359 BRHRDWOEANHARJ-UHFFFAOYSA-N 320.349 -0.628 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)C[C@H](C)n2ccnc2)C1 1045555030 NCZYIGVZQRKNFY-RYUDHWBXSA-N 319.365 -0.317 30 20 DBED C#CCN1CCC2(CC1)CO[C@@H](CNC(=O)c1nnn(C)n1)C2 1045677682 YGDDTPOJICLIRB-GFCCVEGCSA-N 318.381 -0.556 30 20 DBED NC(=O)CN1CC[C@@H](N2CCN(C(=O)C#CC3CC3)CC2)C1 1046027099 HRZHOFWOFMZPNP-CQSZACIVSA-N 304.394 -0.896 30 20 DBED C#CCN1CC[C@H](N2CCN(C(=O)[C@H]3CCC(=O)N3C)CC2)C1 1046056952 WSJHFDUKEVJRPI-LSDHHAIUSA-N 318.421 -0.541 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)C2CC3(CC3)C2)C1 1046359436 NZGCLGVZIKQWKJ-LBPRGKRZSA-N 320.389 -0.096 30 20 DBED C=CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2cnc(O)n(C)c2=O)C1 1047483516 OQTFXKIZZOZKAW-RYUDHWBXSA-N 322.365 -0.821 30 20 DBED CC#CCN1CCOC[C@H]1CNC(=O)c1cn(CCOC)nn1 1050905606 GNBRVOTYASUOIK-CYBMUJFWSA-N 321.381 -0.622 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccnn1C 1051045252 UAHISLKWUFUEBI-BFHYXJOUSA-N 302.378 -0.026 30 20 DBED C=C(C)CN1CCOC[C@H]1CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 1051110956 FZCXWSDRQFGBFV-FRRDWIJNSA-N 311.382 -0.588 30 20 DBED Cn1nnc(C(=O)NCC2CC(Nc3cnc(C#N)cn3)C2)n1 1052054648 YBARKBVIHZUTLX-UHFFFAOYSA-N 313.325 -0.508 30 20 DBED CCn1ncc(CN2CC3(C2)CN(C(=O)[C@@H](C)C#N)CCO3)n1 1053191060 KYNRENWZSXZSHW-LBPRGKRZSA-N 318.381 -0.129 30 20 DBED C#CCN1CC2(C1)CN(C(=O)[C@@H]1CCCc3nn[nH]c31)CCO2 1053394890 RCGWOIOXJTZQRT-GFCCVEGCSA-N 315.377 -0.229 30 20 DBED C#CCN1CC2(C1)CN(C(=O)c1ccc(C(N)=O)cc1)CCO2 1053528394 GQADVRHONKPHOO-UHFFFAOYSA-N 313.357 -0.055 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2C1 1055291483 YXNSBNPNGXALSN-RWMBFGLXSA-N 316.361 -0.798 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@](CO)(NC(=O)CCC)C1 1055710678 OLTMSCYCYKUEAP-INIZCTEOSA-N 323.393 -0.604 30 20 DBED CN1CCOC[C@H]1C(=O)N1CCN(c2cnc(C#N)cn2)CC1 1055754646 WNPHCVYKVLYPHQ-ZDUSSCGKSA-N 316.365 -0.673 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@](CO)(NC(=O)C2=CCOCC2)C1 1055898015 GGPMYSOCSWILIG-WBMJQRKESA-N 321.377 -0.038 30 20 DBED C=CCCC(=O)N1CCC[C@@](CO)(NC(=O)c2nc[nH]n2)C1 1056045162 ABHUDECOFCCGGW-CQSZACIVSA-N 307.354 -0.146 30 20 DBED N#Cc1ccc(N2C[C@H]3[C@H](NC(=O)c4ccc(O)nn4)[C@H]3C2)nn1 1056115228 VEKAIEURTCBBNM-MSRIBSCDSA-N 323.316 -0.292 30 20 DBED N#Cc1nccc(N2C[C@@H]3C(NC(=O)Cc4cc[nH]n4)[C@H]3C2)n1 1056164455 VOSCNFIOQNDQIA-QWRGUYRKSA-N 309.333 -0.135 30 20 DBED Cn1ccc(CC(=O)NC2[C@H]3CN(c4cncc(C#N)n4)C[C@H]23)n1 1056203247 MLTRBFKIEPBKOJ-STQMWFEESA-N 323.360 -0.125 30 20 DBED COC(=O)c1nc(=N[C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)cc[nH]1 1056587780 SGVGNOIHOVNCMK-VHSXEESVSA-N 303.322 -0.142 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)Cn1cccn1 1056964017 ZDNODGVPGFHBTP-UHFFFAOYSA-N 310.354 -0.977 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)C[C@@H]1CCCO1 1057193491 HSVCSAMRPNWUQP-ZDUSSCGKSA-N 314.382 -0.305 30 20 DBED CC[C@@H](OC)C(=O)NCCN(CCO)C(=O)c1cc(C#N)c[nH]1 1057291637 MILLGCRIJIDFGC-CYBMUJFWSA-N 322.365 -0.138 30 20 DBED O=C(C#CC1CC1)NCCN(CCO)C(=O)CCc1nc[nH]n1 1057298516 ONRMCSOQHUVDAV-UHFFFAOYSA-N 319.365 -0.912 30 20 DBED Cc1nc(O)[nH]c1C(=O)N(CCO)CCNC(=O)C#CC1CC1 1057887689 JIDQRTZBWOKFJQ-UHFFFAOYSA-N 320.349 -0.612 30 20 DBED CN1CC[C@H](C(=O)N[C@@H]2CCN(c3ccnc(C#N)n3)C2)C1=O 1058514886 QURMJFRVSMCLTF-GHMZBOCLSA-N 314.349 -0.479 30 20 DBED CN1C(=O)CC[C@@H]1C(=O)N[C@H]1CCN(c2nccnc2C#N)C1 1058523210 JBHLGEUTPNMCLP-CMPLNLGQSA-N 314.349 -0.336 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)c1cc2n(n1)CCC2 1058661167 PWBQXFJVBULUAD-NSHDSACASA-N 319.365 -0.460 30 20 DBED C=CCO[C@H](C)C(=O)N1CC[C@@H](CCNC(=O)CC(N)=O)C1 1059831707 WLRSZBQFECVEJW-VXGBXAGGSA-N 311.382 -0.192 30 20 DBED CC(=O)N(C)CC(=O)NCC[C@H]1CCN(C(=O)[C@@H](C)C#N)C1 1060288473 ABLAFJWGHJMUSI-AAEUAGOBSA-N 308.382 -0.021 30 20 DBED O=C(C#CC1CC1)NC[C@H]1COCCN1C(=O)[C@@H]1COCCO1 1061569195 AAJGJPVVFJXCTG-KBPBESRZSA-N 322.361 -0.841 30 20 DBED CC(C)(C)C#CC(=O)NC[C@@H]1COCCN1C(=O)c1nc[nH]n1 1061574827 DDBLCGWYLQDNOH-LLVKDONJSA-N 319.365 -0.189 30 20 DBED C=C(Cl)C(C)(C)C(=O)NC[C@@H]1COCCN1C(=O)C(N)=O 1061614905 DPWUPHOWRAKFPY-SECBINFHSA-N 317.773 -0.406 30 20 DBED C#CCCCC(=O)NC[C@H]1CCCCN1C(=O)[C@@H]1CNC(=O)N1 1062329510 XRNNZCUAHCGWKT-OLZOCXBDSA-N 320.393 -0.031 30 20 DBED C=CCOCC(=O)NCC1(NC(=O)[C@@H]2COC(=O)N2)CCC1 1062703050 ONKJXXBLCZHOEO-JTQLQIEISA-N 311.338 -0.548 30 20 DBED Cc1nnsc1C(=O)N1CCO[C@H](CNC(=O)[C@@H](C)C#N)C1 1064842332 BQVIVAWFGOYIOK-WCBMZHEXSA-N 323.378 -0.037 30 20 DBED N#Cc1nc(=NC[C@@H]2CCCN2C(=O)[C@H]2COC(=O)N2)cc[nH]1 1064902799 VYYXRFHLEKTSSO-VHSXEESVSA-N 316.321 -0.719 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCO[C@H](CNC(=O)c2cocn2)C1 1065096279 BYUFOOZHHCFATE-ABAIWWIYSA-N 323.349 -0.041 30 20 DBED Cc1nc(O)[nH]c1C(=O)N1CCO[C@H](CNC(=O)[C@@H](C)C#N)C1 1065265769 NVRYPZVLDFVVFL-WCBMZHEXSA-N 321.337 -0.459 30 20 DBED Cc1n[nH]cc1C(=O)N1CCO[C@@H](CNC(=O)[C@@H](C)C#N)C1 1065414433 ZTTBQSXFQKOJSC-ONGXEEELSA-N 305.338 -0.165 30 20 DBED CN(C(=O)c1cc[nH]n1)[C@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1065568969 UHJFYEQLZIDTLR-QWRGUYRKSA-N 313.321 -0.607 30 20 DBED N#Cc1cccnc1N1CCOC[C@H]1CNC(=O)c1cnon1 1066497053 LCYQZEMMDICWEN-LLVKDONJSA-N 314.305 -0.029 30 20 DBED C=CCCC(=O)N1CC2(CN(C(=O)Cc3nc[nH]n3)CCO2)C1 1068467219 ZXBRZSLNCBSYJZ-UHFFFAOYSA-N 319.365 -0.247 30 20 DBED CN(C)[C@H](C(=O)N1C[C@H](n2ccnn2)[C@H](NCC#N)C1)C1CC1 1070208987 HLUFJRPFEHFWDC-RDBSUJKOSA-N 317.397 -0.517 30 20 DBED C=CCOCC(=O)N1C[C@@H](C)[C@@H](NC(=O)CCn2ccnn2)C1 1071809720 XXNCJUAUAYOKQA-OLZOCXBDSA-N 321.381 -0.166 30 20 DBED C=C(C)CN1CCCO[C@@H](CNC(=O)c2nnc(O)nc2O)C1 1073679722 RXNWGDUUPUAQMF-JTQLQIEISA-N 323.353 -0.320 30 20 DBED C=C(C)CN1CCCO[C@@H](CNC(=O)[C@H]2CN(C)C(=O)N2)C1 1073727118 SZGQEKZNJIFCAF-QWHCGFSZSA-N 310.398 -0.207 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](NC(=O)CC(N)=O)C[C@H]1C 1074912658 WIZPRRGIJUXRAZ-VXGBXAGGSA-N 309.366 -0.603 30 20 DBED C#CCO[C@@H](C)C(=O)NCC[C@H](C)NC(=O)Cn1ccnc1 1076512398 XHTNIHGOLBGHTK-STQMWFEESA-N 306.366 -0.068 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN2C2CCOCC2)C1 1077128811 GDXPOWUDTDZYJT-OWCLPIDISA-N 321.421 -0.576 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@@]2(C)CCCS2(=O)=O)C1 1077824316 XHVHANHLJNNYIO-YRGRVCCFSA-N 314.407 -0.862 30 20 DBED Cc1nn(CC(=O)N[C@@H](C)CCNC(=O)[C@H](C)C#N)c(=O)n1C 1078132519 WVTCFHABCUNWNN-ZJUUUORDSA-N 322.369 -0.939 30 20 DBED Cn1nnc(CNC[C@H]2CN(C(=O)C#CC3CC3)CCCO2)n1 1078397655 BUEXUUYDODMZOS-ZDUSSCGKSA-N 318.381 -0.669 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1NC(=O)Cc1nnn(C(C)(C)C)n1 1079754447 YADMMMBRJHKRJF-GHMZBOCLSA-N 305.386 -0.069 30 20 DBED CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)CS(C)(=O)=O)C1 1080411668 QSPHGFZNNHYQRX-SECBINFHSA-N 301.368 -0.750 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)c2[nH]c(O)nc2C)C[C@H]1O 1081338294 ORXVWNYNPLQSNJ-WDEREUQCSA-N 322.365 -0.061 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)CN2CCCC2)C[C@@H]1O 1081338968 YVOKNKBUGIZBSU-KGLIPLIRSA-N 309.410 -0.016 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)c2csnn2)C[C@H]1O 1081445619 XWVJUCLWXYPBSD-CMPLNLGQSA-N 322.390 -0.109 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)CSCC#N)C[C@@H]1O 1081463300 LGCYLLSYOMFDRR-OLZOCXBDSA-N 323.418 -0.162 30 20 DBED CCN(CC)CC(=O)N1C[C@H](CNC(=O)C#CC(C)C)[C@@H](O)C1 1081463672 QKJYNPKNFKVIKH-GJZGRUSLSA-N 323.437 -0.077 30 20 DBED Cn1cccc1C(=O)N1C[C@@H](O)[C@H](CNC(=O)C#CC2CC2)C1 1081468815 OSJRDWYWSIIBPI-UKRRQHHQSA-N 315.373 -0.012 30 20 DBED C#CCN1C[C@@H](NC(=O)c2ccc3nn[nH]c3n2)[C@H](OC)C1 1081768409 QAMAHKFSBRAEGO-VXGBXAGGSA-N 300.322 -0.585 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CN(Cc3nncs3)C[C@@H]2O)[nH]1 1083413436 NTGLOIKDBJVWQF-MNOVXSKESA-N 318.362 -0.287 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](NC(=O)c2c[nH]c(C(N)=O)c2)C1 1084062334 LNRJKHNNCVVPFD-OLZOCXBDSA-N 306.366 -0.145 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCCN2C(=O)C(C)C)C1 1084070513 QYBYBZVGQUKJQH-MCIONIFRSA-N 309.410 -0.019 30 20 DBED C#CCN[C@@H]1CC[C@H](CNC(=O)[C@@H]2CCN(C)S2(=O)=O)C1 1086825876 LEMMYLRQBHBKMV-XQQFMLRXSA-N 313.423 -0.472 30 20 DBED CS(=O)(=O)CC(=O)N1C[C@H]2[C@H]3CC[C@@H]([C@H]2C1)N(CC#N)C3 1087338448 IWWPKFXFITXXAE-CYDGBPFRSA-N 311.407 -0.277 30 20 DBED COCCn1nc(C(=O)N[C@H]2CCN(CC#N)[C@@H]2C)ccc1=O 1088725266 LSVRLOFUSCBHAS-NEPJUHHUSA-N 319.365 -0.394 30 20 DBED C[C@H](C[C@@H](C)NC(=O)c1cn(C)nn1)N=c1cc[nH]c(C#N)n1 1089291196 LUSXROSWPBGWTL-NXEZZACHSA-N 314.353 -0.092 30 20 DBED Cc1ccn(CC(=O)N[C@H]2CCN(CC#N)C[C@H]2O)c(=O)c1 1090604112 ANCZPXZCJLQEPM-QWHCGFSZSA-N 304.350 -0.768 30 20 DBED COC[C@H](C)C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1OC 1090867983 GOJGBGQZWMNPGI-CYZMBNFOSA-N 319.365 -0.049 30 20 DBED CO[C@@H](C)CCC(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1091096581 UNWJXZOYCSZSDK-TUAOUCFPSA-N 319.365 -0.171 30 20 DBED N#Cc1cncc(N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)CNC(N)=O)n1 1092937706 JOJDMXUIXCJXDW-MXWKQRLJSA-N 315.337 -0.758 30 20 DBED C=CCNC1CCC2(CC1)CN(C(=O)[C@H]1CNC(=O)N1)CCO2 1093403857 IVPIRBUDCNCBAJ-MFOWVQHXSA-N 322.409 -0.016 30 20 DBED C#CCN1CC(OC2CCN(C(=O)C3CN(C(C)=O)C3)CC2)C1 1093531069 NPAIZHQNOIEJJC-UHFFFAOYSA-N 319.405 -0.210 30 20 DBED N#Cc1cncc(NCCNC(=O)c2cccn3nnnc23)n1 1093896980 IQXVPSUXTCWHMJ-UHFFFAOYSA-N 309.293 -0.372 30 20 DBED N#Cc1ccc(NCCNC(=O)c2ccn3nnnc3c2)nn1 1094032552 MJCVAHTZYMVHIA-UHFFFAOYSA-N 309.293 -0.372 30 20 DBED COC(=O)[C@@H]1C[C@@H]1C(=O)NCc1cn(C2CN(CC#N)C2)nn1 1094279636 OXYURHDZDVBXTC-NWDGAFQWSA-N 318.337 -0.916 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)c3cnns3)CC2=O)C1 1094712653 XZMGRRCSQAZETB-VIFPVBQESA-N 305.363 -0.814 30 20 DBED N#Cc1nc(=N[C@@H]2CCN(C(=O)CNC(=O)C3CC3)C2)cc[nH]1 1095014536 BYWLIUYRIWHIDU-LLVKDONJSA-N 314.349 -0.691 30 20 DBED Cc1nc(CC(=O)NCCCN(C)c2ccnc(C#N)n2)n[nH]1 1095549317 DCEBSRAVJQONFS-UHFFFAOYSA-N 314.353 -0.040 30 20 DBED COCCOCC(=O)N[C@@H]1CCN(c2cnc(C#N)cn2)C1 1096340231 HFVBLMHGRIUFRZ-LLVKDONJSA-N 305.338 -0.294 30 20 DBED CS(=O)(=O)CC(=O)N[C@@H]1CCN(c2ccc(C#N)nc2)C1 1096342276 FUQUFKVISWNIBU-LLVKDONJSA-N 308.363 -0.307 30 20 DBED CNC(=O)C1(C(=O)N[C@@H]2CCN(c3ccnc(C#N)n3)C2)CC1 1096396045 SRQFYWLWZJYQAR-SNVBAGLBSA-N 314.349 -0.431 30 20 DBED C[C@H](C(=O)N[C@H]1C[C@H](N=c2cc[nH]c(C#N)n2)C1)S(C)(=O)=O 1097113313 PCYVRXJYDVULIG-OPRDCNLKSA-N 323.378 -0.738 30 20 DBED CC#CCN(CCO)C1CCN(C(=O)[C@]2(C)CCNC2=O)CC1 1098477653 DHMQIEFJPASMKE-QGZVFWFLSA-N 321.421 -0.179 30 20 DBED C=CCNC(=O)[C@H](C)NCc1cn([C@H]2CCN(C(C)=O)C2)nn1 1098591468 HRLRJTDRZATZEF-FZMZJTMJSA-N 320.397 -0.148 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)Cn1cncn1)C[C@H](C)O2 1098658236 ALMPJWPYMHBJCM-AWEZNQCLSA-N 317.393 -0.007 30 20 DBED C#CCNCc1cn([C@H]2CCN(C(=O)[C@@]34COC[C@@H]3C4)C2)nn1 1098675416 ATQWOJGDVSCKMP-NOLJZWGESA-N 315.377 -0.189 30 20 DBED Cn1ncc(CN2CC[C@H](NC(=O)CSCC#N)[C@@H](O)C2)n1 1099693541 UCLPMPQMZNQQPH-RYUDHWBXSA-N 324.410 -0.877 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)CCCN(C)C)[C@@H](O)C1 1099973329 BEKZGTPMCGEYCH-CABCVRRESA-N 311.426 -0.471 30 20 DBED CCC(C)(C)C(=O)N[C@@H]1CCN(CC(=O)NCC#N)C[C@@H]1O 1099981332 NSYHBYRQWZELRV-NEPJUHHUSA-N 310.398 -0.386 30 20 DBED Cc1nsc(N(C)CCNC(=O)CCNC(N)=O)c1C#N 1100099520 MGSGSHCNHMHGSA-UHFFFAOYSA-N 310.383 -0.066 30 20 DBED C[C@H](C#N)C(=O)NCC1CC(NCc2nnc3n2CCOC3)C1 1100191658 SQOVPZKZBGWKBS-VOMCLLRMSA-N 318.381 -0.048 30 20 DBED CCN(CCNC(=O)CN1CCOCC1)c1cncc(C#N)n1 1100514118 DJJLJOWWZWMMOG-UHFFFAOYSA-N 318.381 -0.377 30 20 DBED CCN(CCNC(=O)Cc1n[nH]c(C)n1)c1cnc(C#N)cn1 1100524166 IJTGLCHFQDSBDA-UHFFFAOYSA-N 314.353 -0.040 30 20 DBED N#Cc1cnc(N2CC[C@H](CNC(=O)Cc3nc[nH]n3)C2)cn1 1101011253 AQBZLLSQWVXSCI-SNVBAGLBSA-N 312.337 -0.348 30 20 DBED Cn1nnc(C(=O)NCCN(c2ccncc2C#N)C2CC2)n1 1101423860 OVKLMUHGMBIZNB-UHFFFAOYSA-N 312.337 -0.124 30 20 DBED CN(C(=O)C#CC1CC1)[C@@H]1CCN(c2nccn3nnnc23)C1 1102699700 BHHZFQJMEKUNGE-GFCCVEGCSA-N 311.349 -0.030 30 20 DBED C#CCOCCC(=O)NC[C@@H](CC)Nc1ccc2nnnn2n1 1103193367 RNMFGDYOKSQJCP-LLVKDONJSA-N 317.353 -0.134 30 20 DBED CC(=O)N[C@H](C)C(=O)NC[C@@H](C)CN=c1cc[nH]c(C#N)n1 1103850236 OICGPILLRKWJHV-VHSXEESVSA-N 304.354 -0.541 30 20 DBED C[C@@H](CC(=O)NC[C@@H](C)CN=c1cc[nH]c(C#N)n1)NC(N)=O 1104099781 QLLMGSICZDIGPV-UWVGGRQHSA-N 319.369 -0.619 30 20 DBED N#Cc1cncc(NC[C@H](O)CNC(=O)[C@@H]2CCCOC2)n1 1105742379 QGQQLNMMWHFGFO-PWSUYJOCSA-N 305.338 -0.336 30 20 DBED Cc1nc(C(=O)NC[C@@H](O)CNc2cncc(C#N)n2)co1 1105798549 GERPKZKXYNHHSB-JTQLQIEISA-N 302.294 -0.153 30 20 DBED CCc1nc(C#N)cc(NC[C@@H](O)CNC(=O)CC(C)(C)O)n1 1105804269 NBBREHJKANYVQS-LLVKDONJSA-N 321.381 -0.039 30 20 DBED CCc1[nH]ccc1C(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1 1105837633 JNJPFGIAZJLHHT-SNVBAGLBSA-N 314.349 -0.137 30 20 DBED C[C@@H]1CN(C(=O)Cc2ccon2)C[C@H]1CNCC(=O)NCC#N 1105964368 DOXRJIZKZQQRJX-VXGBXAGGSA-N 319.365 -0.459 30 20 DBED CN(C)[C@H](C(=O)NC[C@@H](O)CN=c1cc[nH]cc1C#N)C1CC1 1105995881 XAGSCTSMECAAAB-ZFWWWQNUSA-N 317.393 -0.396 30 20 DBED CCC(=O)NCC(=O)N[C@@H](C)CCN=c1cc[nH]c(C#N)n1 1106268451 GDXHIIPMTDVFQA-JTQLQIEISA-N 304.354 -0.397 30 20 DBED CCC(=O)NCC(=O)NC/C=C/CNc1ccc(C#N)nn1 1107078701 MXUGTSOHGGUKON-ONEGZZNKSA-N 302.338 -0.041 30 20 DBED CCS(=O)(=O)CC(=O)NC/C=C/CNc1cncc(C#N)n1 1107221965 GLFMGRCEDJHLHH-ONEGZZNKSA-N 323.378 -0.133 30 20 DBED N#Cc1nc(=NC/C=C\CNC(=O)[C@@H]2CC[C@H]2C(N)=O)cc[nH]1 1107451293 KKZUYTPEJLMVIW-JLVKAVFRSA-N 314.349 -0.634 30 20 DBED C[C@]1(CNC(=O)C(=O)NCC(F)F)CN(CC#N)CCO1 1108039534 CBGJXQUVQFGSKU-LBPRGKRZSA-N 304.297 -0.902 30 20 DBED C=CCOCCN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1nnn(C)n1)C2 1108740499 PLRXZXVJLGUONS-AVGNSLFASA-N 320.397 -0.005 30 20 DBED COCC(=O)N[C@@H](C)C(=O)N[C@@H](C)CNc1nccnc1C#N 1108746307 LOZNJBUUWAOQGW-UWVGGRQHSA-N 320.353 -0.584 30 20 DBED C#CCNC(=O)CN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1nc[nH]n1)C2 1108780482 CNMXUJBTSGXGKF-TUAOUCFPSA-N 316.365 -0.863 30 20 DBED C[C@@H](CN(C)c1ccncc1C#N)NC(=O)CCNC(N)=O 1108961760 MJJIIUCOXGYVGT-JTQLQIEISA-N 304.354 -0.047 30 20 DBED C[C@H](CN(C)c1ccc(C#N)nn1)NC(=O)[C@H]1CCNC1=O 1109206301 UQEZYYNFKANLNY-KOLCDFICSA-N 302.338 -0.575 30 20 DBED CC(=O)NCC(=O)N[C@H]1[C@H]2C[C@H]1N(c1ccnc(C#N)n1)C2 1109671172 VMVLXFNSFLIILV-RBZYPMLTSA-N 300.322 -0.822 30 20 DBED N#Cc1cnc(NC[C@@H](NC(=O)Cn2nccn2)C2CC2)cn1 1109912636 KKRFTIIDDBIGLC-GFCCVEGCSA-N 312.337 -0.053 30 20 DBED C[C@]1(C(=O)NCC2(Nc3cncc(C#N)n3)CC2)CNC(=O)C1 1110287548 HLIXUKIKXDINQB-CQSZACIVSA-N 314.349 -0.065 30 20 DBED N#CCSCC(=O)N(CCO)CCN=c1cc[nH]cc1C#N 1111441896 MZXCNGXXHMRGPE-UHFFFAOYSA-N 319.390 -0.135 30 20 DBED CCNC(=O)CC(=O)N(CCO)CCNc1nccnc1C#N 1111453603 NQVVYASMGLRDEB-UHFFFAOYSA-N 320.353 -0.893 30 20 DBED Cc1cc(=NCCN(CCO)C(=O)[C@H](O)C(C)C)c(C#N)c[nH]1 1111461645 HRBAASICCFWMTH-OAHLLOKOSA-N 320.393 -0.067 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)Cc2n[nH]c(C)n2)CC1 1112830822 GMIRCZAEESLSRI-LLVKDONJSA-N 320.397 -0.509 30 20 DBED C[C@@H](C(=O)N1CCN(CC(=O)NCC#N)CC1)[C@@H]1CCCO1 1113317952 IJTCKQFQDBWATH-OLZOCXBDSA-N 308.382 -0.415 30 20 DBED N#CCSCC(=O)N[C@H]1[C@@H]2CN([C@@H]3CCCNC3=O)C[C@@H]21 1113897472 VRZZJNRYCWRGQO-XZUYRWCXSA-N 308.407 -0.432 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)c3ccnnc3C)[C@H]2C1 1114523543 DBKVHDPLRUBNFU-STQMWFEESA-N 315.377 -0.253 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)c3cncn3C)[C@H]2C1 1114524575 XAZFEFRKTXECIR-SRVKXCTJSA-N 317.393 -0.229 30 20 DBED C#CCCN1C[C@@H]2C(NC(=O)CNC(=O)c3cscn3)[C@H]2C1 1115083857 SPWAJNFIWZKJBV-QWRGUYRKSA-N 318.402 -0.057 30 20 DBED C=CCCCN1C[C@@H]2C(NC(=O)CN3C(=O)CNC3=O)[C@H]2C1 1115210787 OAPQEYZTHQRUMA-QWRGUYRKSA-N 306.366 -0.449 30 20 DBED C=CCOCCN1C[C@H]2[C@H](NC(=O)CCc3cn(C)nn3)[C@H]2C1 1115358023 GJCDRYXELYXXGU-FOLVSLTJSA-N 319.409 -0.003 30 20 DBED N#Cc1cnc(NCCCOCCNC(=O)c2cnon2)cn1 1115417429 ITCWCYOVYVVQGW-UHFFFAOYSA-N 317.309 -0.020 30 20 DBED C[C@@H](CN(C)C(=O)[C@H](C)n1cncn1)N=c1cc[nH]c(C#N)n1 1115677807 FROBNVUIJTVJFU-QWRGUYRKSA-N 314.353 -0.118 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CCCN(CC)CC2)nn1 1118178177 JCQDJEAYHCPPKT-UHFFFAOYSA-N 320.397 -0.366 30 20 DBED C[C@@H](CN(C)C(=O)[C@H]1CCCNC1=O)N=c1cc[nH]c(C#N)n1 1120199339 HETMYEYFTWWZFD-QWRGUYRKSA-N 316.365 -0.445 30 20 DBED CCc1cc(C(=O)NC[C@H](CO)Nc2cnc(C#N)cn2)n[nH]1 1121135194 AKOQBJKBVMTTKC-LLVKDONJSA-N 315.337 -0.163 30 20 DBED CNC(=O)CCCC(=O)NC[C@H](CO)N=c1cc[nH]cc1C#N 1121464941 OXKUGOQPDBQWIB-GFCCVEGCSA-N 319.365 -0.820 30 20 DBED C=CCn1c(C2=NO[C@H](CO)C2)nnc1N1CCN(C)C(=O)C1 1121552725 MLAKCNJSZLLTIW-JTQLQIEISA-N 320.353 -0.772 30 20 DBED N#Cc1ccc(N2CC[C@]3(NC(=O)CC(N)=O)CCC[C@H]23)nn1 1123393477 GYOCTLFBPBBBPW-XHDPSFHLSA-N 314.349 -0.159 30 20 DBED CC(C)N(CCN(C)c1ccc(C#N)nn1)C(=O)CNC(N)=O 1125435253 AJUFPGWONZCYBL-UHFFFAOYSA-N 319.369 -0.310 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CCCc2c[nH]nc21 1127352740 YBKYGZFLUPGHKT-YPMHNXCESA-N 317.393 -0.327 30 20 DBED CC#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)CCCN(C)C)C1 1129204468 FEMHCVMQBGJGLZ-CABCVRRESA-N 318.425 -0.015 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)c1cc2n(n1)CCO2 1129546460 JGJLLYVCQCURJQ-JTQLQIEISA-N 307.354 -0.714 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@H](CC)NC(C)=O)C[C@@H]1n1ccnn1 1130020791 XKIPMJLWANKAFD-MJBXVCDLSA-N 318.381 -0.833 30 20 DBED CC(F)(F)C(=O)NCc1nc([C@H]2COCCN2CC#N)n[nH]1 1130831848 PPJYPBIBCLEVTC-MRVPVSSYSA-N 314.296 -0.027 30 20 DBED C#CCO[C@H](C)C(=O)NCc1nc([C@H]2COCCN2CC)n[nH]1 1130846084 RDFWZDPIHNGDQN-VXGBXAGGSA-N 321.381 -0.148 30 20 DBED CCNC(=O)CN1C[C@H]2C[C@@H]3CN(C(=O)[C@@H](C)C#N)C[C@@]3(C1)O2 1131199954 ABTBELXOQYSQEP-VPWBDBDCSA-N 320.393 -0.416 30 20 DBED CC[C@@H](C)OCC(=O)N1CCC(=O)NCCN(CC#N)CC1 1131351375 KZBFLKKCXJPCHP-CYBMUJFWSA-N 310.398 -0.024 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)C[C@@H](C)c1cnn(C)c1 1131741515 IGHPTFNLSIQCEZ-CHWSQXEVSA-N 319.409 -0.243 30 20 DBED C#CCNC(=O)CN1C[C@H](NC(=O)CNC(=O)OC)CC[C@@H]1C 1131839357 PVJVCAWXZWTEHK-NWDGAFQWSA-N 324.381 -0.939 30 20 DBED C=C(Br)CNCCNC(=O)[C@@H]1CC(=O)NC(=O)N1 1134461114 PGCUEJNXIPJYGZ-ZETCQYMHSA-N 319.159 -0.801 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)NCCNCc1cnnn1CC 1134817457 XQVOXHCYDYFCCL-CQSZACIVSA-N 322.413 -0.025 30 20 DBED C=CCn1cc(C(=O)NCCN[C@@H](C)c2nnnn2C)nn1 1134970437 WSSQTMCSDNTVQD-VIFPVBQESA-N 305.346 -0.932 30 20 DBED C=CCCn1cc(C(=O)NCCNCC(=O)NCC2CC2)nn1 1135072165 QALUKPXWGFEEPM-UHFFFAOYSA-N 320.397 -0.300 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1cnn(CC)c1C 1135660489 KZUXKLIZJGHYNQ-LLVKDONJSA-N 305.382 -0.331 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cnn(CCC)c1C 1135710200 XRUDYTGJDJLSAN-UHFFFAOYSA-N 305.382 -0.330 30 20 DBED C#CCNC(=O)CNCCNC(=O)Cc1ccc2c(c1)COC2 1149037422 KXQNFZGYOLQVJJ-UHFFFAOYSA-N 315.373 -0.286 30 20 DBED C=CCN1CCCO[C@@H](CNC(=O)CNS(=O)(=O)CC)C1 1149803853 FNFLRSWLRXCSGK-LBPRGKRZSA-N 319.427 -0.681 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)CC(=O)NCC2CC2)C1 1150571496 JDEXYHFSHUPVHG-CQSZACIVSA-N 307.394 -0.257 30 20 DBED C#CCN1CCC(C(=O)NCCNCC(=O)NC2CC2)CC1 1152334362 BXRRZRCHHQSWOY-UHFFFAOYSA-N 306.410 -0.684 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)Cc1ccnn1C 1153036169 LBHLUQWNVIKJKZ-GFCCVEGCSA-N 320.397 -0.571 30 20 DBED C#CCNC(=O)CNCCCNC(=O)CCc1ccn(C)n1 1159093480 MNFWVDPAXFDIHA-UHFFFAOYSA-N 305.382 -0.802 30 20 DBED C#CCOCCC(=O)NCCC1(CNCc2nnn(C)n2)CC1 1164504601 DYHFKWSTJZSYMR-UHFFFAOYSA-N 320.397 -0.374 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)CN1CCC[C@@H]1C 1166626876 LIZCLIXSORBKEW-UONOGXRCSA-N 308.426 -0.296 30 20 DBED C=CCO[C@@H](C)C(=O)NCCCN[C@H](C)C(=O)NC(N)=O 1177277599 TWGVZKFTYVFNQR-ZJUUUORDSA-N 300.359 -0.743 30 20 DBED COc1nc(C(=O)N2CC[C@H](NCC(=O)NCC#N)[C@@H]2C)co1 1179239195 WHWUBATVEOLDKF-UWVGGRQHSA-N 321.337 -0.484 30 20 DBED COCC#CCNCCCCCCNC(=O)[C@@H]1CN(C)C(=O)N1 1179239529 GMIAXGJKFHQFLI-AWEZNQCLSA-N 324.425 -0.074 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2cnc(O)n2C)[C@H]1C 1179303424 BUINDFSULIWMSN-QWRGUYRKSA-N 319.365 -0.932 30 20 DBED C#CCCN[C@H]1CCN(C(=O)CN2C(=O)NC(C)(C)C2=O)[C@H]1C 1180058851 FPNMXZQRDJAMMT-RYUDHWBXSA-N 320.393 -0.081 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2cn(C)nc2CC)C1 1183476031 WAJQMVCVQGQVHM-GFCCVEGCSA-N 317.393 -0.464 30 20 DBED CC(=O)NCCOCCN(C)[C@H]1CCN(C(=O)[C@@H](C)C#N)C1 1189400505 LKQHOPSIFACRNV-JSGCOSHPSA-N 310.398 -0.169 30 20 DBED CN(CC(=O)NCC#N)[C@@H]1CCN(C(=O)[C@H]2CCCCO2)C1 1189653737 YHDWQDAAXZFKES-CHWSQXEVSA-N 308.382 -0.272 30 20 DBED N#CCSCC(=O)N[C@@H]1CN(C[C@@H]2CCCCO2)C[C@H]1O 1191149157 GIXXHSSCPRRGOU-YNEHKIRRSA-N 313.423 -0.026 30 20 DBED C=CCCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCS(=O)(=O)C2)C1 1194519353 NHSVISPJWWNFNF-YNEHKIRRSA-N 316.423 -0.451 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)CCCC2CC2)C1 1195474257 SHLDDVYMPKJVOC-NWANDNLSSA-N 321.421 -0.134 30 20 DBED N#Cc1c[nH]c(C(=O)N2CCCO[C@H](CNCC(N)=O)C2)c1 1200208120 YJGGGVHQZCTBST-LLVKDONJSA-N 305.338 -0.808 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)[C@@H]2CN(C)C(=O)N2)CCCO1 1201156684 ZGTJLBLHFKTNRX-OLZOCXBDSA-N 308.382 -0.760 30 20 DBED C#CCN[C@H]1C[C@H]2CC[C@H]1N(C(=O)CCNS(C)(=O)=O)C2 1204409700 ZPLWNIOZFXZRHX-FRRDWIJNSA-N 313.423 -0.472 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@H]2CC[C@H]1N(C(=O)c1nc[nH]n1)C2 1204806051 QBIICRKDXFEGAF-GRYCIOLGSA-N 316.365 -0.863 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CN(CC(=O)N2CCOCC2)C[C@H]1C 1206640642 IQCIWNWFFFGRKH-JHJVBQTASA-N 308.382 -0.559 30 20 DBED COCC#CCN[C@@H]1CCCN(C(=O)[C@]2(C)CCC(=O)N2)C1 1209512566 FXEHAIMZJGEJSS-CJNGLKHVSA-N 307.394 -0.115 30 20 DBED Cc1conc1C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1210026052 YYCUDCJUWWSKHD-MWLCHTKSSA-N 305.338 -0.327 30 20 DBED C=CCNC(=O)[C@H](C)N[C@H]1CCCN(C(=O)c2cnn(C)n2)C1 1210115974 CRBVJFJYSCFGND-RYUDHWBXSA-N 320.397 -0.300 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)c2[nH]cnc2CC)C1 1210885932 TWORBRDDOULMGP-LBPRGKRZSA-N 317.393 -0.084 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)CCSC)[C@H](OC)C1 1211816884 IGUUTMRVJIEAHV-VXGBXAGGSA-N 315.439 -0.143 30 20 DBED CO[C@@H]1CN(CC(=O)Nc2ccon2)C[C@H]1NC(=O)[C@@H](C)C#N 1212045552 QWJUKRYGZJJAHP-HBNTYKKESA-N 321.337 -0.412 30 20 DBED C=CCOCCN1C[C@@H](NC(=O)c2[nH]nnc2C)[C@H](OC)C1 1213250836 OQPJDRANHCPGND-VXGBXAGGSA-N 309.370 -0.255 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)c2cc[n+]([O-])cc2)C[C@H]1C 1214085045 KFSJFLMCTWMFIX-TZMCWYRMSA-N 318.377 -0.328 30 20 DBED CCN1C[C@@H](C(=O)N2C[C@@H](NCC#CCOC)[C@H](C)C2)CC1=O 1214760096 QVZQFEWVMYUAOX-QLFBSQMISA-N 321.421 -0.059 30 20 DBED CCS(=O)(=O)CCCN1C[C@H](O)[C@H](NC(=O)[C@H](C)C#N)C1 1219380958 CSWPXLYIQOLDMM-UTUOFQBUSA-N 317.411 -0.868 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)c2nnn(C)c2C)C1 1219409389 GWLLCOZHRSSEES-NEPJUHHUSA-N 309.370 -0.899 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)CCc2cnn(C)c2)C1 1221068090 INVCZOXYHACJBO-CABCVRRESA-N 322.409 -0.283 30 20 DBED COCC#CCN1CC[C@@H]2CN(C(=O)c3c[nH]c(=O)cn3)[C@@H]2C1 1221770516 QPERYNGBWGNZKJ-TZMCWYRMSA-N 316.361 -0.434 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCC[C@@H](NCc2nnnn2C)C1 1222067700 LNUCLWKIYWWNFI-NWDGAFQWSA-N 308.386 -0.118 30 20 DBED C=CCN1CCS(=O)(=O)[C@H](CCNC(=O)c2cnn[nH]2)C1 1230474025 ROKZLZCJZFMUJN-SNVBAGLBSA-N 313.383 -0.790 30 20 DBED C=CCOCC(=O)NCCCN(C)CC(=O)NCCCOC 1235698959 QQZOHHMOIQHTLE-UHFFFAOYSA-N 315.414 -0.220 30 20 DBED C=CC1CCN(c2nnnn2CCS(=O)(=O)NC)CC1 1262407212 GTEGDKHXGGSFDU-UHFFFAOYSA-N 300.388 -0.375 30 20 DBED C=CCN(c1nnc(CCN(C)S(N)(=O)=O)n1C)C1CC1 1262874744 ULWUFQZIAMTNKS-UHFFFAOYSA-N 314.415 -0.352 30 20 DBED C=CC(C)(C)C(=O)N[C@H]1CCN(CCN2C(=O)CNC2=O)C1 1316984249 HLNMMNMZVMEJHH-NSHDSACASA-N 308.382 -0.059 30 20 DBED CN1C[C@@H](NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1=O 1319336254 RDRSNAAZXSAWNX-XRNDOFNESA-N 321.337 -0.957 30 20 DBED C=CCN1CCC(NC(=O)C(=O)N2CCO[C@H](C#N)C2)CC1 1322607383 NXUNVJVTORYWLD-CYBMUJFWSA-N 306.366 -0.496 30 20 DBED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H](C)C(=O)N(C)C 1323950738 SSERPKDEGSHAIR-SDDRHHMPSA-N 311.382 -0.323 30 20 DBED CN(CCn1cccn1)C(=O)C(=O)N1CC[C@](O)(CC#N)C1 1326250683 UIYNQECEKIUBJY-CQSZACIVSA-N 305.338 -0.781 30 20 DBED N#CCNC(=O)CNC(=O)N1CCC(OC[C@H]2CCCO2)CC1 1330409465 OWHDCABWYMOCGE-CYBMUJFWSA-N 324.381 -0.004 30 20 DBED C#CCOCCNC(=O)C(=O)N1CC[C@H](CN2CCCC2=O)C1 1350766928 IYQBGWPNAWZDIY-CYBMUJFWSA-N 321.377 -0.777 30 20 DBED Cn1ncc2c1CN(C(=O)CCn1cc(C#N)c(O)nc1=O)C2 1362715281 GDCOFAREYVQKDX-UHFFFAOYSA-N 314.305 -0.513 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NCc2nc(=O)n(C)[nH]2)CCCC1 1374150597 GQPFAEGBSMDBSM-JTQLQIEISA-N 306.370 -0.213 30 20 DBED C=C(Cl)CN1CC[C@@H](NC(=O)CN(C)S(C)(=O)=O)C1 1376127973 KSPHPGWNILMWNI-SNVBAGLBSA-N 309.819 -0.179 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](C1CC1)N(C)C(=O)c1ncn(C)n1 1381719696 DJJZAONQTZPICH-GXSJLCMTSA-N 304.354 -0.058 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CCN(C(=O)CCS(C)(=O)=O)C1 1385321414 PLQDWHAQINLGSQ-NXEZZACHSA-N 301.368 -0.702 30 20 DBED C[C@@H](CNC(=O)CNC(=O)c1ccncc1)NC(=O)[C@@H](C)C#N 1386305923 YKWFCASMVXFSMS-QWRGUYRKSA-N 317.349 -0.408 30 20 DBED CCCc1nc(C(=O)NC[C@H](O)CNC(=O)[C@@H](C)C#N)co1 1399863956 IHQGPPFEZQQRMK-VHSXEESVSA-N 308.338 -0.006 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@@H](C)CNC(=O)c1cccn2nnnc12 1404379266 UQQGJZUINQBWBB-UWVGGRQHSA-N 315.337 -0.139 30 20 DBED CCCCS(=O)(=O)CC(=O)NC[C@H](C)NC(=O)[C@@H](C)C#N 1410452846 CDRVSCCZVDHFMB-QWRGUYRKSA-N 317.411 -0.018 30 20 DBED CN(CCNC(=O)c1cc(C#N)c[nH]1)C(=O)CNC(=O)C1CC1 1415472301 UJXJKUCEDLWJOL-UHFFFAOYSA-N 317.349 -0.399 30 20 DBED Cn1cccc1CNC(=O)CCn1cc(C#N)c(O)nc1=O 1417653394 OQCCYAFPDWPCKR-UHFFFAOYSA-N 301.306 -0.134 30 20 DBED CC(C)N(C)C[C@H](C)NC(=O)Cn1cc(C#N)c(O)nc1=O 1417886739 AYHIRKPUFWPDPC-JTQLQIEISA-N 307.354 -0.335 30 20 DBED CCNC(=O)CN1CCOC2(CCN(C(=O)[C@H](C)C#N)CC2)C1 1422184171 JCTPQGZWYIIHKH-CYBMUJFWSA-N 322.409 -0.024 30 20 DBED COCCN(CCNC(=O)[C@@H](C)C#N)C(=O)[C@@H]1CCNC(=O)C1 1426072930 RCELIGGVMMCLEF-NWDGAFQWSA-N 324.381 -0.737 30 20 DBED COc1ncc(C(=O)N(C)C[C@@H](O)CNC(=O)[C@@H](C)C#N)cn1 1428248885 IZRVLELITBGFCF-ONGXEEELSA-N 321.337 -0.806 30 20 DBED N#Cc1cc(C(=O)NC[C@H](O)CNC(=O)c2cncs2)c[nH]1 1433259734 WMNDNNSLWMLZRV-JTQLQIEISA-N 319.346 -0.136 30 20 DBED C[C@H](C#N)C(=O)N1CCC(O)(CN[C@H](C)c2nnnn2C)CC1 1440631047 XMNDZWVXWGNDEE-GHMZBOCLSA-N 321.385 -0.626 30 20 DBED C[C@@H](CNC(=O)c1ccc(C#N)[nH]1)NC(=O)Cc1nc[nH]n1 1454600156 ZSJVDSPQJGAKQQ-QMMMGPOBSA-N 301.310 -0.518 30 20 DBED Cc1cc(C#N)cnc1C(=O)NCCc1nnc2c(=O)[nH]ccn12 1455737570 LEHHFKKWPZCEQD-UHFFFAOYSA-N 323.316 -0.035 30 20 DBED CCCN(CCNC(=O)C1CN(C(C)=O)C1)C(=O)[C@@H](C)C#N 1455789725 DWLPRUAJKZWOAB-NSHDSACASA-N 308.382 -0.021 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@H]1CS(=O)(=O)C[C@H]1C 1464585281 LJTLTADJNCUGLE-AXFHLTTASA-N 323.440 -0.265 30 20 DBED Cn1cnnc1C1CCN(c2[nH]c(=O)n(C)c(=O)c2C#N)CC1 1472650959 CZCYDDVJHFPXRM-UHFFFAOYSA-N 315.337 -0.542 30 20 DBED Cc1n[nH]cc1C(=O)NCCN1CCN(C(=O)[C@H](C)C#N)CC1 1524088594 PCDQHWKOYTTWPH-LLVKDONJSA-N 318.381 -0.248 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@H](CCNC(=O)CNC(=O)O)C1 1573311147 ICYNTCUQZSQALC-RYUDHWBXSA-N 324.381 -0.780 30 20 DBED Cc1nc(C(=O)N[C@H]2CN(C(=O)O)C[C@H]2CO)ccc1C#N 1574180726 MCMYDHVJWMMCCI-JQWIXIFHSA-N 304.306 -0.038 30 20 DBED C[C@H](CCNC(=O)[C@H](C)C#N)N=c1cc[nH]c(-c2nn[nH]n2)n1 1574587739 OPXOBFZTRMTIPF-RKDXNWHRSA-N 315.341 -0.455 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@@H](C)[C@H](CCN)C2)C1=O 1574936744 YILSKYIARJZYNR-GHMZBOCLSA-N 322.365 -0.594 30 20 DBED C[C@@]1(C#N)CN(Cn2cccc(-c3nn[nH]n3)c2=O)CCO1 1590056989 VRSQTXFKIISSRM-CYBMUJFWSA-N 301.310 -0.400 30 20 DBED COCC#CCNC[C@H](C)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 1591364187 ZODBCDRAHPXILX-JTQLQIEISA-N 317.353 -0.448 30 20 DBED N#C[C@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CC(CO)C1 1592664892 KEOUINMEUMMMET-ZDUSSCGKSA-N 312.333 0.000 30 20 DBED COC(=O)[C@@H](CC(=O)O)NS(=O)(=O)CC(C)(C)CC#N 1598693571 FERIMCQQBANWCU-MRVPVSSYSA-N 306.340 -0.138 30 20 DBED COC[C@@H](NC(=O)CCN/C(O)=C1/N=CC=CC1=O)C(=O)O 1599168411 ABQIMGVKGKIUMT-RWKJSZNZSA-N 311.294 -0.881 30 20 DBED N#C[C@H]1CN(S(=O)(=O)N[C@H](CC(=O)O)C2CC2)CCO1 1601063147 ONPRWMNHLZTXQC-VHSXEESVSA-N 303.340 -0.702 30 20 DBED N#CCC1CCN(C(=O)C(=O)N2C[C@@H](O)C[C@@H](C(=O)O)C2)CC1 1601064170 NNQQAPRWWNDZEH-NEPJUHHUSA-N 323.349 -0.567 30 20 DBED C#CCN(CC(=O)O)C(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O 1602682307 MFSMORMYKVKLPE-CQSZACIVSA-N 307.306 -0.747 30 20 DBED C[C@H](C#N)C(=O)N(C)C[C@@H](O)CN(C)c1ncc(C(=O)O)cn1 1603130530 XYBFXBXBADABKD-MWLCHTKSSA-N 321.337 -0.410 30 20 DBED N#Cc1c[nH]ccc1=NCCN(CCO)C(=O)[C@H]1C[C@H]1C(=O)O 1608223234 WCLZTOCWEKROBY-NWDGAFQWSA-N 318.333 -0.671 30 20 DBED Cc1nnc(NN=Cc2nc(-c3nn[nH]n3)cs2)nc1O 1609461939 UBZGJKIEHZXLAA-UHFFFAOYSA-N 304.299 -0.032 30 20 DBED C[C@](C#N)(CC(=O)O)C(=O)NC1CCC2(CC1)NC(=O)NC2=O 1609691323 JWJTUQOEHMSTGT-FEUBCLPYSA-N 322.321 -0.372 30 20 DBED N#Cc1cnc2ncn(CCN3C[C@@H]4CC[C@H](C3)O4)n2c1=O 1646084810 ZJGYVPXGJBZWPF-TXEJJXNPSA-N 300.322 -0.374 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC[C@H](NC(=O)CCN(C)C)C1 1713791655 NWNNMHNAWPRWEX-KGLIPLIRSA-N 308.426 -0.343 30 20 DBED C#CCNCCNC(=O)[C@H]1CCCN(C(=O)CC2(O)CCC2)C1 1752926528 STUDXXCPPNPVPP-AWEZNQCLSA-N 321.421 -0.131 30 20 DBED C#CCNC(=O)CNC[C@@H]1CCN(C(=O)c2cnn(CC)c2)C1 1752932890 VEFSJBDAWPATDM-ZDUSSCGKSA-N 317.393 -0.296 30 20 DBED Cc1cn2nc(C(=O)NCC[C@@H](C)NCC#N)cc2c(=O)[nH]1 1753009464 LYJAXKVBWHSPLS-SECBINFHSA-N 302.338 -0.047 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC(NC(=O)C2(CCOC)CC2)C1 1753378781 WFYIIQDUTQMBOI-GFCCVEGCSA-N 307.394 -0.259 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@@H](C)CNC(=O)c1cnn(CC)c1 1753606591 AQDQFODPQKHVAG-OLZOCXBDSA-N 319.409 -0.004 30 20 DBED C[C@H](CNCC(=O)NCC#N)N(C)C(=O)c1ccnc(O)c1 1753686107 QWQJEULHCUOTSX-SNVBAGLBSA-N 305.338 -0.523 30 20 DBED C#CCNC(=O)CNC[C@H](C)N(C)C(=O)c1ccn(CC)n1 1753725465 FRDDHXUJYJVGKN-LBPRGKRZSA-N 305.382 -0.298 30 20 DBED C#CCNC(=O)CN(C)CCN(C)C(=O)[C@H](C)NC(=O)CC 1753853789 LFNTVPKVQCKWAK-LBPRGKRZSA-N 310.398 -0.959 30 20 DBED C#CCNC(=O)[C@@H](C)NCCN(CC)C(=O)[C@@H](C)n1cncn1 1754041242 IAMQYLCGENBSTQ-CHWSQXEVSA-N 320.397 -0.585 30 20 DBED C=CCN1CC[C@@H](NC[C@@H](C)NC(=O)Cc2cc[nH]n2)C1=O 1754221902 UXLXONJNZZXVPS-DGCLKSJQSA-N 305.382 -0.167 30 20 DBED C[C@H](CNCC(=O)NCC#N)NC(=O)Cc1ccc(F)cn1 1754232026 VPCQCOBKGXLINW-SNVBAGLBSA-N 307.329 -0.503 30 20 DBED C#CCOCCC(=O)N[C@H]1[C@H]2C[C@H]1N(CCN1CCCC1=O)C2 1754422864 OGLOXFSNELPANY-VBQJREDUSA-N 319.405 -0.162 30 20 DBED COCC#CCN1CC(N(C)C(=O)c2cc(OC)n(C)n2)C1 1754577691 FKQFGYBLKDRKPU-UHFFFAOYSA-N 306.366 -0.165 30 20 DBED C#CCNC[C@]1(C)CCN(C(=O)[C@@H](CCC)S(N)(=O)=O)C1 1754700273 CXDGHURDVFKCCE-OCCSQVGLSA-N 315.439 -0.095 30 20 DBED CC/C(C)=C/C(=O)N1CCO[C@H](CNCC(=O)NCC#N)C1 1755002843 ZTQTWMVZLASRSH-YQCJOKCJSA-N 308.382 -0.201 30 20 DBED COCC#CCN(C)CCCN(C)C(=O)C1CN(C(C)=O)C1 1755036957 XOLIXJHGWSICLY-UHFFFAOYSA-N 309.410 -0.105 30 20 DBED N#CCN1CCC(CO)(NC(=O)CCN2CCOCC2)CC1 1755180991 JXJOFFPCQVIQMH-UHFFFAOYSA-N 310.398 -0.825 30 20 DBED C=CCN1CC(CCO)(NC(=O)Cn2c(C)cc(C)nc2=O)C1 1755337701 QOGZMZMGQUIGIO-UHFFFAOYSA-N 320.393 -0.401 30 20 DBED CC#CCN[C@H](C)[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)CCO1 1755445001 LSJJNSGITUUEGM-YPMHNXCESA-N 304.350 -0.388 30 20 DBED C#Cc1cncc(C(=O)NC[C@H](CO)NCc2nncn2C)c1 1755638601 YMFFSTIMFNWELH-CYBMUJFWSA-N 314.349 -0.928 30 20 DBED CC#CCN[C@H](CO)CNC(=O)c1ccc(S(C)(=O)=O)o1 1755640163 FVSGJJFWBSBLMS-JTQLQIEISA-N 314.363 -0.613 30 20 DBED COCC#CCN(C)C[C@H](O)CN(C)C(=O)COC(C)C 1755799035 GKDKTWWEAZIDLI-AWEZNQCLSA-N 300.399 -0.188 30 20 DBED C#CCCCCC(=O)N(C)C[C@@H](O)CN(C)[C@H]1CCNC1=O 1755800259 XZYDPHBBQJKVBQ-KBPBESRZSA-N 309.410 -0.180 30 20 DBED N#CCSCC(=O)NC[C@H]1[C@@H]2CN(C(=O)c3cnon3)C[C@H]12 1756193287 WIRNRFOSUBWEHE-OWUUHHOZSA-N 321.362 -0.239 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@H](C)CN(C)C(=O)Cc1nc[nH]n1 1756498643 GBCXAWYHDLSGGH-MNOVXSKESA-N 309.370 -0.099 30 20 DBED C=CCC1(C(=O)N[C@H](CO)CNC(=O)c2nnn(C)n2)CCC1 1756542956 LCAGCYWFZHHMET-JTQLQIEISA-N 322.369 -0.837 30 20 DBED C=CCOCC(=O)N1CCC[C@@H](NC(=O)Cn2cnnn2)[C@@H]1C 1756616488 DNDXHHZNPFGTPN-NWDGAFQWSA-N 322.369 -0.629 30 20 DBED CCC1(Cn2cc(C(=O)N3CC(O)(CC#N)C3)nn2)COC1 1771796205 QNDNBFWSNUJVEE-UHFFFAOYSA-N 305.338 -0.195 30 20 DBED Cc1nn(C)c(C)c1[C@H](O)CNC[C@@H](O)CN(C)CCC#N 1772046820 MPRLIWMOUBQWSX-ZIAGYGMSSA-N 309.414 -0.134 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1[nH]cnc1C)CCO2 1783050198 LFHWJTMUJDZAIQ-OAHLLOKOSA-N 302.334 -0.205 30 20 DBED N#CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCC(=O)N1 1795699491 BHWSARLPCJSZEX-USZNOCQGSA-N 304.350 -0.183 30 20 DBED N#CCCC(=O)N1CCCC12CN(C(=O)CN1CCNC1=N)C2 1842812962 VRBZLNOFHKDKOD-UHFFFAOYSA-N 318.381 -0.666 30 20 DBED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)Cn2cccn2)C1 1843091125 HRHJKJADCUWABY-UHFFFAOYSA-N 316.317 -0.826 30 20 DBED C=C(C(=O)N1CC2(CCCN2C(=O)[C@@H](N)CN)C1)C(F)(F)F 1843350660 NAGWHYUMDHLXCA-VIFPVBQESA-N 320.315 -0.406 30 20 DBED C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCCCCC#N 87300265 JCLSLKHCIBTBHA-SNVBAGLBSA-N 313.383 -0.103 30 20 DBED C#CCN1CCN(C(=O)[C@H]2CCCCN2S(C)(=O)=O)CC1 128422690 ISIXAJQWQHAPGL-CYBMUJFWSA-N 313.423 -0.422 30 20 DBED C=CCNC(=O)CNC(=O)NC[C@@H](C)CN1CCN(C)CC1 180780421 FBGDNNOTXFNVJK-CYBMUJFWSA-N 311.430 -0.529 30 20 DBED N/C(=N\CCS(=O)(=O)N1CCSCC1)N1CCOCC1 262540304 RKTWKGQGZQLJAV-UHFFFAOYSA-N 322.456 -0.988 30 20 DBED C[C@H]1CCC[C@@](C#N)(NC(=O)CN2C(=O)C(=O)N(C)C2=O)C1 265386834 RQRMDVJLOJQOQL-LKFCYVNXSA-N 306.322 -0.004 30 20 DBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)CCO 270271827 QLCGTUJLLNHENA-SNVBAGLBSA-N 311.363 -0.324 30 20 DBED C[C@H](NC(=O)C(=O)NCC(=O)N(C)C)c1ccc(C#N)cc1 275697278 QBTKWXUCQWGDRL-JTQLQIEISA-N 302.334 -0.060 30 20 DBED CO[C@@H](CN)CC(=O)N1CCN(c2cc(C#N)ccn2)CC1 278177758 LFNAULBSDKMFOM-CYBMUJFWSA-N 303.366 -0.034 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2[C@H](C)NCC[C@H]2C)C1=O 286007585 JAZKMCSHXXOPFJ-JFGNBEQYSA-N 322.365 -0.534 30 20 DBED C=CCN(CC=C)C(=O)C(=O)N1CCN(S(C)(=O)=O)CC1 297463593 IFKAQDYHIAOJAV-UHFFFAOYSA-N 315.395 -0.709 30 20 DBED C[C@H](C#N)CN(C)C(=O)C(=O)N1CC(=O)N[C@@H]2CCCC[C@@H]21 298829871 VLYWNIYPTPBGCP-UTUOFQBUSA-N 306.366 -0.126 30 20 DBED CO[C@H]1C[C@@H](/C(O)=N/CCN2CCCS2(=O)=O)N(C)C1 328939406 KJELPPFISWNEFD-QWRGUYRKSA-N 305.400 -0.303 30 20 DBED C[C@H](CCN1CCN(C)CC1)/N=C(/O)N[C@H]1CC(=O)N(C)C1 329994747 ZNNPFRFBESUWTF-OLZOCXBDSA-N 311.430 -0.253 30 20 DBED CCN(C[C@@H](C)C#N)C(=O)CN1CCC[C@H](S(N)(=O)=O)C1 330660731 UXSGXTFOSWTPHE-RYUDHWBXSA-N 316.427 -0.253 30 20 DBED COCCN1CCN(/C(O)=N/[C@H](C)CS(C)(=O)=O)CC1 330763659 QUDIHQPSFVOIEN-LLVKDONJSA-N 307.416 -0.403 30 20 DBED CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)Cn2cnc(C#N)n2)C1 331172224 VUFLIFYKCVGHLL-MNOVXSKESA-N 304.354 -0.087 30 20 DBED C[C@H]1CCNC(=O)[C@H]1N/C(O)=N/[C@H](C)CCS(C)(=O)=O 331310279 URDHXYBMNPRRBG-AEJSXWLSSA-N 305.400 -0.162 30 20 DBED CS(=O)(=O)N1CCN(CC(=O)NC2(C#N)CCC2)CC1 332468846 LNPSEGXVFHLIOX-UHFFFAOYSA-N 300.384 -0.874 30 20 DBED C[C@@H](CNS(=O)(=O)N1CCO[C@@H](C#N)C1)N(C)C1CC1 337089964 IZUULCKWDRQZRO-JQWIXIFHSA-N 302.400 -0.472 30 20 DBED C=CCOCC(=O)N(CC)CC(=O)N[C@@H]1CCS(=O)(=O)C1 339905355 JSWFQNNWFNUVKL-LLVKDONJSA-N 318.395 -0.659 30 20 DBED C=CC[C@@H](CO)CNC(=O)NC[C@H]1CS(=O)(=O)CCO1 341851068 HMWAAKXDRXIINC-MNOVXSKESA-N 306.384 -0.716 30 20 DBED C=CCNC(=O)CNC(=O)N[C@@H]1CCO[C@H]1c1nccn1C 345591875 KLWHHHHDQQFIDL-ZYHUDNBSSA-N 307.354 -0.149 30 20 DBED C=CCOC[C@@H]1NC(=O)N(C[C@H]2CCCS2(=O)=O)C1=O 348579686 YDTIABPVAWELBQ-ZJUUUORDSA-N 302.352 -0.313 30 20 DBED N#Cc1ccc(S(=O)(=O)NCC(=O)Nc2nc[nH]n2)cc1 352605983 BXXPTHHKRRKPND-UHFFFAOYSA-N 306.307 -0.407 30 20 DBED C=CCOC[C@H](NC(=O)c1cnc2c(c1)nnn2C)C(=O)OC 360738315 OZIYBSFDBSDBOE-NSHDSACASA-N 319.321 -0.163 30 20 DBED CNS(=O)(=O)[C@H]1CCCN(CC(=O)NC2(C#N)CCC2)C1 363908704 ICZZJHMPKSAGPH-NSHDSACASA-N 314.411 -0.438 30 20 DBED N#CCNC(=O)CNC(=O)N[C@@H]1CCCC[C@H]1N1CCOCC1 376376173 KMZCXZLWJMFACD-CHWSQXEVSA-N 323.397 -0.431 30 20 DBED CN(C)C(=O)N1CCN(S(=O)(=O)c2cncc(C#N)c2)CC1 401822162 ZNYLMGXPRNCMIS-UHFFFAOYSA-N 323.378 -0.059 30 20 DBED C=C(C)CN(C)C(=O)C(=O)N1CCN(CCC(=O)N(C)C)CC1 410801231 TXOJXAFLZRRLQF-UHFFFAOYSA-N 324.425 -0.357 30 20 DBED O=C(CNS(=O)(=O)c1ccccc1F)NCC#CCO 412322462 DDJFLCLLEFRPFL-UHFFFAOYSA-N 300.311 -0.784 30 20 DBED COC(=O)CCN1CCN(S(=O)(=O)[C@H](C)C#N)[C@H](C)C1 416457019 NHZFDDHOLZPOJO-GHMZBOCLSA-N 303.384 -0.203 30 20 DBED COCCN(CC#N)C(=O)Cn1nnc2ccccc2c1=O 457187468 ZITKVNFVSPYTLR-UHFFFAOYSA-N 301.306 -0.210 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2cccnc2S)CC1 491166863 UWEJSEJTBYOKJQ-UHFFFAOYSA-N 318.402 -0.123 30 20 DBED C#CCNC(=O)CN1CCN(Cc2c(C)nnn2CC)CC1 491732393 MXPUUXPBZPNVGN-UHFFFAOYSA-N 304.398 -0.527 30 20 DBED COC(=O)N[C@@H](C)C(=O)N(CCC#N)CCN1CCOCC1 494119769 LSPRGJIUMDFYFY-LBPRGKRZSA-N 312.370 -0.195 30 20 DBED N#Cc1ccc(S(=O)(=O)NC[C@H](O)Cn2ccnn2)cc1 517175680 IPECASKZVFJRLT-NSHDSACASA-N 307.335 -0.511 30 20 DBED N#Cc1ccncc1N1CCN(Cc2nc(=N)[nH]c(=N)[nH]2)CC1 572817760 IYDHKSQOKFUOAC-UHFFFAOYSA-N 311.353 -0.714 30 20 DBED C[C@H](C#N)CNC(=O)[C@H](C)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 579421331 DNROGLCHCZUXQZ-RRZJSNMYSA-N 305.334 -0.187 30 20 DBED N#Cc1ncn(CCNC(=O)N2CCC[C@H]2C(=O)NC2CC2)n1 588731268 MAFXDWNGYGNXTD-NSHDSACASA-N 317.353 -0.398 30 20 DBED CC#CC[C@H](CO)NS(=O)(=O)c1cncc(C(=O)OC)c1 592113390 RBWSWIHVBGNPMX-LLVKDONJSA-N 312.347 -0.079 30 20 DBED COC[C@H](C)NC(=O)CNS(=O)(=O)c1cccc(C#N)c1 603500621 JOMQKSOVKBUPPJ-JTQLQIEISA-N 311.363 -0.012 30 20 DBED CCC[C@@H](C#N)NC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 609170467 SDUKLZQHSLVVGC-KGLIPLIRSA-N 322.409 -0.024 30 20 DBED N#CCc1ccc(OC[C@@H](O)CN2C[C@@H](O)C[C@H]2CO)cc1 613743096 ALTDSKHIQDQDFJ-KKUMJFAQSA-N 306.362 -0.080 30 20 DBED N#CCc1cccc(S(=O)(=O)NCCN2CCNC(=O)C2)c1 619495901 KGTMUCBMZSMADD-UHFFFAOYSA-N 322.390 -0.537 30 20 DBED CN(C)S(=O)(=O)N1CCN(C(=O)NCC2(C#N)CC2)CC1 619534592 XMBFWSGHKKUHST-UHFFFAOYSA-N 315.399 -0.576 30 20 DBED C=C[C@](C)(O)C(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 665457417 DTCVRGWDJFTEIU-YPMHNXCESA-N 302.396 -0.745 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)C1(O)CCOCC1 744960183 LVDBULSRHPTWIZ-VIFPVBQESA-N 300.311 -0.529 30 20 DBED Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)OCC#N 745354058 RVCPFTWBERKMDO-MRVPVSSYSA-N 300.340 -0.229 30 20 DBED CS(=O)(=O)NC[C@@H]1CCCN(Cn2cccc(C#N)c2=O)C1 750607892 ITLQQJAMUBBDKH-LBPRGKRZSA-N 324.406 -0.061 30 20 DBED N#Cc1ccc(NC(=O)C(=O)N2CCCNC(=O)C2)c(F)c1 771207664 MOWMSXPISYTZTP-UHFFFAOYSA-N 304.281 -0.016 30 20 DBED C#C[C@@H](NC(=O)C(=O)Nc1cc(C)cn(C)c1=O)[C@H]1CCCO1 773793916 GWCPWAIVENSMBY-DGCLKSJQSA-N 317.345 -0.071 30 20 DBED C=C(Cl)COC(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1 786195550 ZELHAXUSKOVVRE-UHFFFAOYSA-N 322.726 -0.048 30 20 DBED CC(=O)N1CCN(C(=O)COC(=O)c2cnccc2C#N)CC1 805714572 AVJNIIXXYVYDQY-UHFFFAOYSA-N 316.317 -0.199 30 20 DBED C#CCCCNC(=O)C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O 806185885 WKAVQIBGIZQHIP-VIFPVBQESA-N 319.283 -0.205 30 20 DBED C=CCNC(=O)CNC(=O)C(=O)Nc1cccc(CC(=O)O)c1 819720323 VKUSRNZHQVTJTQ-UHFFFAOYSA-N 319.317 -0.329 30 20 DBED Cn1c(N[C@@H]2CCC[C@H]2C#N)c(-c2nn[nH]n2)c(=O)n(C)c1=O 822600643 OVCXXMXINRPDCI-JGVFFNPUSA-N 316.325 -0.632 30 20 DBED C=CCS(=O)(=O)CCNC(=O)[C@@H]1CC(=O)N(CCC)C1 839722120 CCDSEZRNJUOJTJ-LLVKDONJSA-N 302.396 -0.038 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@H](CN)C1CCCC1)[C@H]1CCCO1 842165036 ZVGSPMDVHHRORQ-BFHYXJOUSA-N 307.394 -0.083 30 20 DBED Cc1ccc(S(=O)(=O)NCC(=O)N[C@H]2CNC[C@H]2C#N)cc1 843459755 HVBKAZOSLPNCQQ-YPMHNXCESA-N 322.390 -0.499 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1 859899388 MHNCVKBWGMDDKR-QWRGUYRKSA-N 318.333 -0.546 30 20 DBED C#CCNS(=O)(=O)N1CCN(Cc2cnc(CC)nc2)CC1 895919343 UGLJQAFEVLGPOP-UHFFFAOYSA-N 323.422 -0.376 30 20 DBED CN(CCC#N)S(=O)(=O)N1CCO[C@@H](c2ccnn2C)C1 907486440 QKHCUMLBJVOKGB-GFCCVEGCSA-N 313.383 -0.116 30 20 DBED CNS(=O)(=O)c1ccc(C(=O)NCC#CCN(C)C)cc1 913516010 WPQJOJYIJYCFAO-UHFFFAOYSA-N 309.391 -0.111 30 20 DBED C=CCNC(=O)C[S@](=O)CCN1C(=O)NC(C)(C)C1=O 914525825 FAHFONFQBNXPFI-HXUWFJFHSA-N 301.368 -0.632 30 20 DBED CC[C@@H](CN1CCOCC1)NC(=O)[C@H](C)n1cnc(C#N)n1 928651566 QRTYYUAUROLBRM-RYUDHWBXSA-N 306.370 -0.062 30 20 DBED CC(C)[C@H](C#N)N1CCN(C(=O)C[C@H]2CC(=O)NC2=O)CC1 931385437 QGEOPYDNGXFFHW-NEPJUHHUSA-N 306.366 -0.268 30 20 DBED Cc1nc(C#N)c(N2CCN(C(=O)CN3CC[C@@H]3CO)CC2)o1 934021597 PKBRFRSWANIXBD-GFCCVEGCSA-N 319.365 -0.430 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](NC(=O)c2cccn3nnnc23)C1 940647405 JSYIRHRRCLOUFB-NXEZZACHSA-N 313.321 -0.385 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C2CN(CCn3cncn3)C2)CC1 941349186 WEHABYPJQVTGMS-CYBMUJFWSA-N 317.397 -0.734 30 20 DBED C#CCCN1CC[C@H](NC(=O)CN2CCN(C)C(=O)C2)[C@H](C)C1 942199557 DUJFHNDUCZTCTE-CABCVRRESA-N 320.437 -0.390 30 20 DBED C#CCN1CC[C@H](NC(=O)Cn2nc(C)n(C)c2=O)[C@@H](C)C1 944491517 LKPQOXGTJMZCOP-AAEUAGOBSA-N 305.382 -0.650 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@H](CNC(=O)c2cnns2)C1 944494784 GYNCJBLFYXQVMK-DTWKUNHWSA-N 309.351 -0.345 30 20 DBED COc1cc(C(=O)NC[C@@H]2CN(C(=O)[C@H](C)C#N)CCO2)on1 944557473 WTYGFHMASMBJHV-NXEZZACHSA-N 322.321 -0.200 30 20 DBED C[C@H](C#N)C(=O)N1CCC2(CC1)CN(C(=O)[C@@H]1COC(=O)N1)C2 945030979 PDVZKGRHNYOREF-MNOVXSKESA-N 320.349 -0.295 30 20 DBED C#CCN1CC[C@H](NC(=O)CN2C(=O)CN(C)C2=O)C[C@H]1C 948010392 BGNOPUZKKPIUET-NEPJUHHUSA-N 306.366 -0.517 30 20 DBED Cn1cnc(C(=O)NC[C@@H]2CCN2C(=O)C#CC2CC2)cc1=O 950762518 UCNLTIHXJQTHLI-LBPRGKRZSA-N 314.345 -0.476 30 20 DBED Cn1ncc(C(=O)NC[C@H]2CCN2C(=O)c2cc(C#N)c[nH]2)n1 951087821 YUEHIUANYUOFNL-SNVBAGLBSA-N 313.321 -0.341 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2CCCN(C(=O)C(N)=O)C2)cn1 951853869 JTBYGAZPBFOBGK-LBPRGKRZSA-N 300.318 -0.731 30 20 DBED C=CCn1cc(C(=O)N(C)C2CN(C(=O)c3ncc[nH]3)C2)nn1 954308304 OMWIFBSEUUHYIO-UHFFFAOYSA-N 315.337 -0.216 30 20 DBED C[C@@H](C#N)C(=O)N1CC(N(C)C(=O)c2cnc(N(C)C)cn2)C1 954344157 KWUZQWKQZGJLKD-JTQLQIEISA-N 316.365 -0.015 30 20 DBED CC#CCN1C[C@H](CNC(=O)c2cnc(C)nc2OC)[C@@H](O)C1 958121986 OAKUSEYVIAUAPN-JSGCOSHPSA-N 318.377 -0.161 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2c(C3CC3)cnn2C)C1 958122007 OFHWQFOIWRORMY-OCCSQVGLSA-N 302.378 -0.047 30 20 DBED C=CCn1cccc1C(=O)NC[C@@H]1CN(CC(=O)NC)C[C@@H]1O 958138961 JUPNRMBJORTSHB-OCCSQVGLSA-N 320.393 -0.557 30 20 DBED C#CCCN1C[C@@H](O)[C@@H](CNC(=O)c2cnc3[nH]nnc3c2)C1 958149183 OWOWUNUYASAXRK-WCQYABFASA-N 314.349 -0.601 30 20 DBED C=CCN1C[C@H](CNC(=O)c2ccnc3c2nnn3C)[C@@H](O)C1 958351357 ZNHXKLJBTYNKHP-JQWIXIFHSA-N 316.365 -0.428 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2cnn(CC3CC3)c2)C1 958574316 NQXVXNRJKBBLLI-UKRRQHHQSA-N 302.378 -0.051 30 20 DBED C=CCCN1C[C@@H]2C(NC(=O)CN3CCCS3(=O)=O)[C@H]2C1 960186901 VFIQQYHPQDSOBS-RYUDHWBXSA-N 313.423 -0.356 30 20 DBED Cc1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)nn1C 961792022 RSIQAPDJPZLRIT-AXTRIDKLSA-N 305.338 -0.810 30 20 DBED C#CCN1CCC(C(=O)NC[C@@H]2COCCN2C(C)=O)CC1 964234249 YSVFBVKSEUOAHR-OAHLLOKOSA-N 307.394 -0.305 30 20 DBED N#CCN1CCCCC[C@H]1CNC(=O)C1CC(=O)NC(=O)C1 969070630 NXBUAJHJVOXMIP-LBPRGKRZSA-N 306.366 -0.076 30 20 DBED C=C[C@@](C)(CC)C(=O)N1C[C@H](O)[C@H](NC(=O)Cn2cncn2)C1 970750722 ZBZWQIMJPVYSLM-XUJVJEKNSA-N 321.381 -0.432 30 20 DBED CN1CC[C@H](C(=O)N2C[C@H]3CC[C@H]2CN3CC#N)S1(=O)=O 971911800 QRBQNWAXIOLLBF-GRYCIOLGSA-N 312.395 -0.781 30 20 DBED C#CCCN1CCO[C@]2(CCN(C(=O)Cn3nccn3)C2)C1 972394983 VADOHZXZGQVECO-OAHLLOKOSA-N 303.366 -0.395 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)CCn3cnnn3)C[C@H]21 974972175 ZUAPHJNUGIQGJD-IJLUTSLNSA-N 317.353 -0.718 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)COC 977926140 JEVIIJRQNIKTLF-KBPBESRZSA-N 307.394 -0.210 30 20 DBED C#CCN1CC[C@]2(NC(=O)C[C@@H]3NC(=O)NC3=O)CCC[C@H]12 991099805 JNTLFYLIHKXHQA-ZIBATOQPSA-N 304.350 -0.669 30 20 DBED C#CCN1CC[C@]2(NC(=O)c3cn(CC(N)=O)nn3)CCC[C@@H]12 992525271 KPZBXZOCIPODMC-IUODEOHRSA-N 316.365 -0.877 30 20 DBED C#CCCN1CCC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@@H]1C 993367070 PSGOSONJXHMNNH-NWDGAFQWSA-N 318.381 -0.631 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)c2nnn(C(C)(C)C)n2)C1 993580733 NZDZSFJWWOHNHP-QMMMGPOBSA-N 305.342 -0.472 30 20 DBED C[C@@H](C#N)C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cn1nccn1 996811179 WWGPHJZBMGYHMY-USZNOCQGSA-N 302.338 -0.314 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2OCCO[C@H]2C)C1 1000018004 WBLVLGMPWMHHMV-GHYVTOPFSA-N 324.377 -0.292 30 20 DBED CC(=O)N1CCC[C@@H]1C(=O)NCC1CN(C(=O)[C@@H](C)C#N)C1 1002646793 QWRKJYBIVWVTIH-GXFFZTMASA-N 306.366 -0.268 30 20 DBED C[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1NC(=O)C(N)=O 1005209402 ZCRYAWLCJOYNDY-KCJUWKMLSA-N 303.322 -0.662 30 20 DBED C=CCn1cccc1C(=O)N1C[C@H]2C(NC(=O)C(N)=O)[C@@H]2C1 1013684689 VVFJFTIJSACKCP-NXEZZACHSA-N 302.334 -0.654 30 20 DBED C=CCN1CC[C@H](N2CC[C@@H](NC(=O)c3nc[nH]n3)C2)C1=O 1015871752 RZMIUHGMBKVHRS-MNOVXSKESA-N 304.354 -0.604 30 20 DBED C=C(C)CN1CCN(C(=O)[C@@H]2CCCN(C(=O)C(N)=O)C2)CC1 1018372596 RYKNLWWSGDBGHW-CYBMUJFWSA-N 322.409 -0.569 30 20 DBED C=C(Br)CN[C@H]1CCN(C(=O)Cn2ncnn2)C1 1018850347 TVXPTUDTHLBTCA-VIFPVBQESA-N 315.175 -0.228 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CCN(C(=O)Cn3cncn3)[C@@H]2C1 1022765178 TWAWHLPGJXAMRQ-SDDRHHMPSA-N 302.338 -0.503 30 20 DBED N#CCN[C@@H]1CC[C@@H]2CN(C(=O)CN3C(=O)CCC3=O)C[C@@H]21 1026416042 PLNGXUFTEPWQPA-GRYCIOLGSA-N 304.350 -0.514 30 20 DBED CN1C[C@@H](C(=O)NC2CN(Cc3ccccc3C#N)C2)NC1=O 1030793215 LLMJRKFVHPOPDQ-AWEZNQCLSA-N 313.361 -0.118 30 20 DBED C#Cc1ccc(C(=O)NCC2CN([C@@H](C)C(=O)NC)C2)cn1 1032137909 FJYOHFCVNYLDQJ-NSHDSACASA-N 300.362 -0.141 30 20 DBED N#CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(OCC(N)=O)c1 1032431611 CCHJLOWPGNZVKH-STQMWFEESA-N 314.345 -0.027 30 20 DBED C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)C1CC2(C1)NC(=O)NC2=O 1032679138 FNAWXNNTWFCNEY-SLMGRZLQSA-N 318.377 -0.164 30 20 DBED C=C(Cl)CN1CCO[C@@H](CNC(=O)[C@H]2COCCN2C)C1 1035332370 BBDGRRUXSCGUBT-QWHCGFSZSA-N 317.817 -0.114 30 20 DBED C#CCN[C@@H]1CCN(C(=O)c2cn(C)c(=O)nc2O)C[C@@H]1C 1036292507 RWGFGBLIBCTTBY-CMPLNLGQSA-N 304.350 -0.441 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@@](O)(CNC(=O)c2cnnn2C)C1 1039600590 FCMGWXVYWKYWDP-OAHLLOKOSA-N 321.381 -0.280 30 20 DBED C[C@@H]1CCN(C(=O)CC(N)=O)C[C@@H]1CN=c1cc[nH]c(C#N)n1 1039854283 DQXPSYVEULZTEB-MNOVXSKESA-N 316.365 -0.458 30 20 DBED N#CCN1[C@H]2CCC[C@H]1CN(C(=O)CN1C(=O)CNC1=O)C2 1039995461 MVBHWICOVDXVHC-QWRGUYRKSA-N 305.338 -0.873 30 20 DBED C#CCN1CCC[C@@]2(CCN(C(=O)CN3CC(=O)NC3=O)C2)C1 1040453362 MXFFGZIPDFSBKD-MRXNPFEDSA-N 318.377 -0.514 30 20 DBED CCn1ccnc1C(=O)N1CC[C@@](O)(CNC(=O)[C@H](C)C#N)C1 1040759932 DXFODCYIQZRMKB-IAQYHMDHSA-N 319.365 -0.244 30 20 DBED Cc1ccc(C(=O)N2CC[C@@](O)(CNC(=O)[C@H](C)C#N)C2)nn1 1040764649 XCUHHAVDZBRTPK-MEBBXXQBSA-N 317.349 -0.362 30 20 DBED N#Cc1nccc(N2C[C@@H](O)[C@H](NC(=O)Cc3ccco3)C2)n1 1041137272 ZMQFSQVPDAEDHB-VXGBXAGGSA-N 313.317 -0.150 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(O)(CNC(=O)C(C)(F)F)C1 1041144770 ZUUDFNRIWXZMME-NSHDSACASA-N 306.309 -0.342 30 20 DBED C=C(C)CCC(=O)N1CC(O)(CNC(=O)[C@@H]2COCCO2)C1 1041600610 DGTCWIHNLIWSFM-LBPRGKRZSA-N 312.366 -0.552 30 20 DBED N#Cc1cnc(N[C@@H]2C[C@@H](NC(=O)C(N)=O)C23CCC3)cn1 1041612134 QPCYYFDRWPUTDQ-NXEZZACHSA-N 300.322 -0.327 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(O)(CNC(=O)CCCOC)C1 1041672835 JEVSRZRBFPRUDJ-AWEZNQCLSA-N 314.382 -0.570 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)c2cnn(CC)n2)C1 1042903468 WJKNLRBXSLNKLC-UHFFFAOYSA-N 321.381 -0.187 30 20 DBED Cc1ccc(C(=O)NCC2(O)CN(C(=O)[C@@H](C)C#N)C2)nn1 1042973241 SYRYPHSWKALQOJ-VIFPVBQESA-N 303.322 -0.752 30 20 DBED C=CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)Cc2cnoc2)C1 1045113439 AHZLMJPNOAWUHO-LLVKDONJSA-N 323.349 -0.502 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)C[C@@H](C)n2ccnc2)C1 1045555029 NCZYIGVZQRKNFY-NWDGAFQWSA-N 319.365 -0.317 30 20 DBED C=CCN1CCC2(CC1)CO[C@@H](CNC(=O)c1nnn(C)n1)C2 1045677347 QCLYJQZVNDYQLT-GFCCVEGCSA-N 320.397 -0.003 30 20 DBED CCn1cc(C(=O)N2CCN([C@H]3CCN(CC#N)C3)CC2)nn1 1046074459 BJNRALMVZWPVCZ-ZDUSSCGKSA-N 317.397 -0.346 30 20 DBED C#CCN1CC[C@@H](N2CCN(C(=O)CN3CCCC3)CC2)C1 1046082910 YABXVDRUULXUCJ-MRXNPFEDSA-N 304.438 -0.066 30 20 DBED N#Cc1nccnc1N[C@H]1C[C@H](CNC(=O)[C@H]2CCNC2=O)C1 1046982382 LAHJTAOCXJFWKN-DCAQKATOSA-N 314.349 -0.209 30 20 DBED C=C(C)CN1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3nnnn3c2)C1 1047458176 ZEOQEKJOCPRFKS-STQMWFEESA-N 316.365 -0.183 30 20 DBED CO[C@@H](C)CC(=O)N(C)[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 1048518814 MZRDQBUKWTWZMC-UBHSHLNASA-N 308.378 -0.145 30 20 DBED CN(C(=O)C#CC1CC1)[C@H]1CN(C(=O)c2cnsn2)C[C@@H]1O 1048821664 WSRPQLLHRKFQHL-RYUDHWBXSA-N 320.374 -0.405 30 20 DBED C#CCN1C[C@@H]2CCCN(C(=O)c3nnc(O)nc3O)[C@@H]2C1 1050086992 FMORZQVYPQMOTP-VHSXEESVSA-N 303.322 -0.548 30 20 DBED CC#CCN1CCOC[C@H]1CNC(=O)c1cn(C)ccc1=O 1051016142 IZQDFCXSZMNBAP-CYBMUJFWSA-N 303.362 -0.161 30 20 DBED N#CCN1CCN([C@H]2CCN(C(=O)Cn3ccnc3)C2)CC1 1052123866 SAUVQMXZAXNXMA-AWEZNQCLSA-N 302.382 -0.375 30 20 DBED C=CCCn1cc(C(=O)N[C@H]2CCCN(CC(N)=O)CC2)nn1 1052778136 HPAJQXKLHXXETE-LBPRGKRZSA-N 320.397 -0.076 30 20 DBED C[C@H](C#N)C(=O)N1CCOC2(CN(Cc3ccnn3C)C2)C1 1053192867 GZWLTBHSLIPQSJ-GFCCVEGCSA-N 303.366 -0.007 30 20 DBED C=CCCn1cc(C(=O)N2CCOC3(CN(CCO)C3)C2)nn1 1053468102 UKEHOKFYKNTINI-UHFFFAOYSA-N 321.381 -0.627 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)C[C@@H]3CCC(=O)N3C)CO2)C1 1053887693 ODFBOUDMVYCPFR-KBPBESRZSA-N 319.405 -0.020 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)c3c[nH]c(=O)cn3)CO2)C1 1053908918 DSQKEVAEDZFPJF-NSHDSACASA-N 302.334 -0.634 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H]2CN(C(=O)C3CCC3)C[C@H]2C1 1055119413 FDEPOTCAMWPXAO-OKILXGFUSA-N 317.389 -0.157 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC[C@@](CO)(NC(=O)C2CC2)C1 1055689431 ZWIDSEATKWMUHD-MLGOLLRUSA-N 308.378 -0.096 30 20 DBED CC(C)[C@@H](O)C(=O)N[C@@]1(CO)CCCN(C(=O)C#CC2CC2)C1 1055921419 XIKXEGBFYAPFDJ-WBVHZDCISA-N 322.405 -0.114 30 20 DBED CC(C)(C(N)=O)C(=O)N1CCN(c2nccnc2C#N)CC1 1055932217 PTSJJJCDDLMVMV-UHFFFAOYSA-N 302.338 -0.492 30 20 DBED N#Cc1nccnc1N1C[C@H]2[C@H](NC(=O)Cn3cccn3)[C@H]2C1 1056140517 IBKYRZBWMPFKAV-YABSGUDNSA-N 309.333 -0.204 30 20 DBED Cc1cc(=N[C@@H]2CCN(C(=O)Cn3ncnn3)C2)c(C#N)c[nH]1 1056706963 ROAFYULPXBJOBI-GFCCVEGCSA-N 312.337 -0.617 30 20 DBED Cc1cc(C(=O)N(CCO)CCNC(=O)C#CC2CC2)on1 1056950400 RJVAEWCOERQPQD-UHFFFAOYSA-N 305.334 -0.053 30 20 DBED C#CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)CSC 1057583551 SVYSRKCFIADBII-NSHDSACASA-N 302.396 -0.675 30 20 DBED N#CCSCC(=O)NCCN(CCO)C(=O)Cc1ccc[nH]1 1057791875 KYLYLRDXAUXZQV-UHFFFAOYSA-N 324.406 -0.249 30 20 DBED C=CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)C[C@@H](C)OC 1057921404 GWGGQVXQBITOLW-OLZOCXBDSA-N 316.398 -0.060 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)c1[nH]cnc1C 1058066351 XABJLBQFLSQCBB-UHFFFAOYSA-N 310.354 -0.529 30 20 DBED N#Cc1nccnc1N1CCC[C@H](NC(=O)[C@H]2COCCO2)C1 1058120306 LXKFTPLHSINEJW-WCQYABFASA-N 317.349 -0.151 30 20 DBED Cc1cc(C#N)nc(N2CC[C@H](NC(=O)c3ncn(C)n3)C2)n1 1058348288 BJDLNFSVNRNKIV-JTQLQIEISA-N 312.337 -0.206 30 20 DBED C=C[C@@H](C)[C@@H](C)C(=O)NCCN(CCO)C(=O)Cc1nc[nH]n1 1058891457 HVOHCGBSNVVHBS-VXGBXAGGSA-N 323.397 -0.258 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 1059049567 VPBVARCCTOWYAV-JQWIXIFHSA-N 300.322 -0.931 30 20 DBED Cc1cc(=N[C@H]2C[C@@H](NC(=O)[C@H]3CCNC3=O)C2)c(C#N)c[nH]1 1059781602 FRKXWQWODIZEAX-XQQFMLRXSA-N 313.361 -0.121 30 20 DBED C#CCCCC(=O)NC[C@H]1COCCN1C(=O)c1[nH]nnc1C 1061533636 DFXVBGRBTJZCIS-LBPRGKRZSA-N 319.365 -0.126 30 20 DBED C#CCCCC(=O)N1CCOC[C@@H]1CNC(=O)[C@H]1COC(=O)N1 1061546023 JRBPHWDJMIUSAW-NWDGAFQWSA-N 323.349 -0.758 30 20 DBED Cc1nnc(CC(=O)NC[C@@H]2COCCN2C(=O)[C@H](C)C#N)o1 1061554542 QOQUNPNRJKLRQO-MWLCHTKSSA-N 321.337 -0.576 30 20 DBED C=CCCCC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1CCNC1=O 1061829398 PXLAFHXJKIMTRT-CHWSQXEVSA-N 323.393 -0.178 30 20 DBED CCC(=O)NCC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H](C)C#N 1061846193 NRVCBJZWRQLNHF-QWRGUYRKSA-N 310.354 -0.984 30 20 DBED CN(C[C@@H]1CCN(C(=O)CC(N)=O)C1)c1ccnc(C#N)n1 1062098816 CFETZPVQBWJKLY-JTQLQIEISA-N 302.338 -0.492 30 20 DBED CN(C(=O)[C@@H]1CNC(=O)N1)[C@H]1CCN(c2nccnc2C#N)C1 1063024987 MORNFXYMMAMCKE-ONGXEEELSA-N 315.337 -0.933 30 20 DBED N#Cc1ccc(N2CCO[C@@H](CNC(=O)c3cc[nH]n3)C2)nn1 1063610933 OLWYKJURCAUMGQ-NSHDSACASA-N 313.321 -0.293 30 20 DBED C=C(C)CCC(=O)N1CCO[C@H](CNC(=O)C2(C(N)=O)CC2)C1 1065224502 QFHLEINUGQFMCJ-GFCCVEGCSA-N 323.393 -0.048 30 20 DBED Cn1nncc1C(=O)N[C@]1(C)CCN(c2cncc(C#N)n2)C1 1065251178 RNPDUPLZVYKWDB-CQSZACIVSA-N 312.337 -0.124 30 20 DBED C[C@@]1(NC(=O)[C@@H]2CNC(=O)N2)CCN(c2ccc(C#N)nc2)C1 1065326861 SHCPKQXUFBEVHA-SWLSCSKDSA-N 314.349 -0.280 30 20 DBED C=CCOCC(=O)N(C)CCCN(C)C(=O)[C@@H]1COCCO1 1066885870 FDOKSOLHBGDWNS-ZDUSSCGKSA-N 314.382 -0.089 30 20 DBED C#CCNC(=O)CC(=O)N(C)CCCN(C)C(=O)[C@H](C)C#N 1067239473 YWVZVIZDVVOFKH-GFCCVEGCSA-N 306.366 -0.408 30 20 DBED C=C[C@](C)(O)CC(=O)N(C)CCCN(C)C(=O)CC(=O)NC 1067261310 VSHIRSYGZKOZTR-HNNXBMFYSA-N 313.398 -0.244 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H]1C[C@H](NC(=O)Cn2cnnn2)C1 1068449263 CSCGZKQROOFGTP-UMSPYCQHSA-N 312.337 -0.631 30 20 DBED C=CCOCC(=O)N[C@@H]1COC2(C1)CN(C(=O)[C@H](C)OC)C2 1068764305 NUNUEWYOCNVESE-RYUDHWBXSA-N 312.366 -0.290 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)Cc2cnc[nH]2)CCOCC1 1070232275 GBLNPAWFNYYNLV-LLVKDONJSA-N 319.365 -0.107 30 20 DBED CC(C)C#CC(=O)N1CCC[C@@H](NC(=O)CS(C)(=O)=O)C1 1070703556 YQQBKYRYEMYGBO-GFCCVEGCSA-N 314.407 -0.202 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)c4cnn(C)c4)C[C@@]3(C1)O2 1070758458 BUSGIMZZFXASAJ-SQWLQELKSA-N 300.362 -0.031 30 20 DBED C=CCCN1CC[C@]2(C1)CN(C(=O)Cn1cnnn1)C[C@H](C)O2 1071134186 OACFRBNBADEQMM-ZFWWWQNUSA-N 320.397 -0.059 30 20 DBED COCCN1CCN([C@@H]2CCCN(C(=O)[C@@H](C)C#N)C2)C(=O)C1 1071258281 CPYMXCPEYZYHSG-UONOGXRCSA-N 322.409 -0.072 30 20 DBED C=CCOCC(=O)N[C@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1C 1071742088 SFMXTBNSZIGEMS-MNOVXSKESA-N 318.395 -0.803 30 20 DBED C[C@H]1CN(C(=O)c2cnn(C)c2N)C[C@@H]1NC(=O)C#CC1CC1 1071948675 KOPGRAFMWUAILQ-GWCFXTLKSA-N 315.377 -0.008 30 20 DBED C[C@@H]1CC[C@H](NC(=O)CN2CC(=O)N(C)C2=O)CN1CC#N 1071989469 PUSZDCOGRVSASP-MNOVXSKESA-N 307.354 -0.627 30 20 DBED C[C@@H]1CC[C@H](NC(=O)CN2C(=O)CN(C)C2=O)CN1CC#N 1072055693 XNYHUEMNOUCUBY-MNOVXSKESA-N 307.354 -0.627 30 20 DBED C[C@H]1CN(C(=O)Cn2ncnn2)C[C@H]1NC(=O)C#CC1CC1 1072165797 SWFJAPGZRDZHSP-CMPLNLGQSA-N 302.338 -0.950 30 20 DBED C=C(C)CCC(=O)N1C[C@@H](NC(=O)Cn2cnnn2)[C@H](C)C1 1072212977 ACCFJWHVKQUGIM-VXGBXAGGSA-N 306.370 -0.008 30 20 DBED C=CCCC(=O)N[C@@H]1CN(C(=O)CCn2cnnn2)C[C@H]1C 1072599566 KZZQEEOQWGUHCT-VXGBXAGGSA-N 306.370 -0.008 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)c2ccc(=O)n(C)c2)C1 1073670692 LUZPAHKPZLOTQO-CQSZACIVSA-N 303.362 -0.161 30 20 DBED C#CCCN1CCCO[C@@H](CNC(=O)C2CC(=O)NC(=O)C2)C1 1073819056 WVKIVRALLCLORA-ZDUSSCGKSA-N 321.377 -0.730 30 20 DBED C#CCN[C@H]1CCN(C(=O)[C@H]2CCc3nnnn3CC2)[C@H]1C 1074901270 FKQFPHAIVVXUHM-AVGNSLFASA-N 302.382 -0.162 30 20 DBED CC(C)C#CC(=O)N[C@@H](C)CCNC(=O)CN1CCOCC1 1076197045 GAVRCMUMWRJNEI-AWEZNQCLSA-N 309.410 -0.011 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2ccc3c(c2)OCC(=O)N3)C1 1077138312 CIDPTFWGFVOSDV-VXGBXAGGSA-N 316.317 -0.684 30 20 DBED Cn1cc(-c2ccoc2C(=O)N[C@@H]2CN(CC#N)C[C@H]2O)cn1 1077563769 SGZTVVAUUJCOLL-CHWSQXEVSA-N 315.333 -0.021 30 20 DBED C=CC(C)(C)C(=O)N[C@@H](C)CCNC(=O)CN1CC(=O)NC1=O 1077819339 QSVOICLHVAGUNN-JTQLQIEISA-N 324.381 -0.239 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)Cc2csc(COC)n2)C1 1077968555 PYGFHMSPHAIEPZ-VXGBXAGGSA-N 309.391 -0.374 30 20 DBED COCc1nc(C)c(C(=O)N[C@@H]2CN(CC#N)C[C@H]2O)s1 1078083334 RXWCDCKANPZCEB-NXEZZACHSA-N 310.379 -0.104 30 20 DBED C=CCCC(=O)N1CCC(CO)(NC(=O)CNC(N)=O)CC1 1080709444 ZEJBHMDEWULGPB-UHFFFAOYSA-N 312.370 -0.909 30 20 DBED C=CCCN1C[C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)[C@H](C)C1 1080960784 GOPWIYAOGIVBKC-IJLUTSLNSA-N 301.412 -0.309 30 20 DBED CC(C)(C)C#CC(=O)NC[C@H]1CN(C(=O)c2cnon2)C[C@H]1O 1081476663 JTFALRYURNNYLS-CMPLNLGQSA-N 320.349 -0.332 30 20 DBED CO[C@@H]1CN(Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)C(N)=O 1082086902 XCFJJJWSTDFMMY-CHWSQXEVSA-N 320.324 -0.502 30 20 DBED C#CCCN1C[C@@H](NC(=O)[C@H]2CCCCC(=O)N2)[C@H](OC)C1 1082124109 RHLHUSZHMZDYRK-MGPQQGTHSA-N 307.394 -0.116 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cn(CC2CC2)nn1 1083236102 LSZBKXDLZGZXAU-UONOGXRCSA-N 316.365 -0.263 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](NC(=O)[C@H](C)N2C(=O)CCC2=O)C1 1083502761 USBBNRKTODHRLF-XQQFMLRXSA-N 323.393 -0.349 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)c2ccc(NC(C)=O)cn2)C1 1083509915 DVJHNEDZAWSRQT-CABCVRRESA-N 316.361 -0.162 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)C(=O)N2CC[C@H](C)C2)C1 1083932982 TYSHOJSLROMHNQ-WCQGTBRESA-N 315.801 -0.231 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)Cn2c(=O)oc3ccccc32)C1 1084047410 BSUSXPPKIAKWSV-PWSUYJOCSA-N 316.317 -0.721 30 20 DBED C#CCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1Cc2cncn2C(=O)N1 1085737160 GOLVKCRFYZCIIJ-OCCSQVGLSA-N 315.377 -0.079 30 20 DBED Cn1cc([C@@H]2CN(C(=O)Cc3cc[nH]n3)C[C@H]2NCC#N)cn1 1086972756 ZCPPAPLITNFYMI-UONOGXRCSA-N 313.365 -0.207 30 20 DBED CCN(c1ccc(C#N)nn1)[C@H](C)CNC(=O)Cn1ncnn1 1089698298 DRNJQRQZWRVLKF-SNVBAGLBSA-N 315.341 -0.634 30 20 DBED C=CCN1CC[C@H](NC(=O)Cn2cc(C3CC3)nn2)[C@H](O)C1 1090319852 SSPIPBMKUAPYOE-GXTWGEPZSA-N 305.382 -0.107 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2nc(C)c(C)[nH]c2=O)[C@H](O)C1 1090352982 UJIMZZSZAOHYDF-VXGBXAGGSA-N 304.350 -0.815 30 20 DBED CC#CCN1CC[C@@H](NC(=O)Cn2ccc(C)cc2=O)[C@@H](O)C1 1090611162 ZIVQUQRMIWIWGU-CABCVRRESA-N 317.389 -0.269 30 20 DBED COCCCC(=O)N[C@@H]1CCN(c2nccnc2C#N)C[C@@H]1O 1092137365 LSZANMUPWKVSFJ-YPMHNXCESA-N 319.365 -0.169 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(c2ccnc(C#N)n2)C[C@@H]1O 1092154180 SCCLNDRHALJJQA-NEPJUHHUSA-N 317.349 -0.393 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)c3nc[nH]n3)c3nccn32)C1 1092404420 VNUIATQCANRNTI-NSHDSACASA-N 311.349 -0.090 30 20 DBED N#Cc1ccc(N2CCN(C(=O)C(=O)NCC(F)F)CC2)nn1 1093185353 NMJZBZHXTZSANI-UHFFFAOYSA-N 324.291 -0.622 30 20 DBED Cc1cc(N2C[C@@H]3C(NC(=O)CNC(N)=O)[C@H]3C2)c(C#N)cn1 1093210950 RDCIXMXEEBBYHU-QWRGUYRKSA-N 314.349 -0.519 30 20 DBED N#Cc1ccc(NCCNC(=O)c2nccnc2C(N)=O)cn1 1093624754 AALGKHUAWNYKFY-UHFFFAOYSA-N 311.305 -0.316 30 20 DBED C[C@@H](CS(C)(=O)=O)C(=O)NCCNc1cnc(C#N)cn1 1093680875 HSYQOEMUEZFJIS-VIFPVBQESA-N 311.367 -0.443 30 20 DBED Cc1nc(NCCNC(=O)Cn2ncn(C)c2=O)ccc1C#N 1093963380 KMNNPEROCJNHAG-UHFFFAOYSA-N 315.337 -0.615 30 20 DBED N#CCN1CCN(C(=O)c2cccnc2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094599171 CQJGRTFBISOXFD-QWHCGFSZSA-N 320.374 -0.471 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)[C@H]3CC(=O)N(C)C3)CC2=O)C1 1094742235 PKRACRIYZLVNTG-RYUDHWBXSA-N 320.393 -0.948 30 20 DBED COCCCOCC(=O)N1CC[C@@H](N=c2cc[nH]c(C#N)n2)C1 1095060769 AMJXZGXQAGHGLO-GFCCVEGCSA-N 319.365 -0.164 30 20 DBED N#Cc1cncc(N2CCCN(C(=O)CNC(N)=O)CC2)n1 1095163776 GYQHTPYHCIWOMG-UHFFFAOYSA-N 303.326 -0.945 30 20 DBED N#Cc1ccc(NC2CCN(C(=O)CNC(N)=O)CC2)nn1 1095214985 LKPXKNKENGGTOW-UHFFFAOYSA-N 303.326 -0.581 30 20 DBED CNC(=O)NCC(=O)NCCCN(C)c1ccc(C#N)nc1 1095762865 JBGFSWQDJQMXFI-UHFFFAOYSA-N 304.354 -0.175 30 20 DBED CCNC(=O)CCC(=O)NC[C@@H](C)N=c1cc[nH]c(C#N)n1 1097749930 OCCWCNFLOISBJL-SNVBAGLBSA-N 304.354 -0.397 30 20 DBED CC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H]1CCS(=O)(=O)N1 1098428849 QVLRCHSIVFPQGL-XQHKEYJVSA-N 311.407 -0.577 30 20 DBED C#CCN(CCO)C1CCN(C(=O)[C@H]2CN(CC)CCO2)CC1 1098566680 IIJOQWVYDQCYNX-MRXNPFEDSA-N 323.437 -0.374 30 20 DBED CN1CCC[C@@H]1C(=O)N1CC[C@@H](n2cc(CNCC#N)nn2)C1 1098644503 BYJVGNYZRGLUIL-ZIAGYGMSSA-N 317.397 -0.241 30 20 DBED C[C@H](CCNC(=O)[C@H]1C[C@H]1C(N)=O)Nc1nccnc1C#N 1099691702 LATQIQSLAICMMQ-BBBLOLIVSA-N 302.338 -0.224 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2cncs2)[C@H](O)C1 1099697752 DEEMTISHSYYBPT-NWDGAFQWSA-N 309.391 -0.042 30 20 DBED C=CCN1CC[C@H](NC(=O)CC(=O)NCC(F)(F)F)[C@@H](O)C1 1100055777 IRYSKBTZOWZCCE-UWVGGRQHSA-N 323.315 -0.208 30 20 DBED CNC(=O)NCCC(=O)NCCN(C)c1nccnc1C#N 1100058877 BTIHDQBMXFSSTF-UHFFFAOYSA-N 305.342 -0.780 30 20 DBED CCc1nc(C#N)cc(N(C)CCNC(=O)c2ncn(C)n2)n1 1100059385 RPZFVKNEVFYGQW-UHFFFAOYSA-N 314.353 -0.095 30 20 DBED CN(CCNC(=O)c1ccc2nnnn2c1)c1cncc(C#N)n1 1100230226 ZVSPKMQDXIDQEC-UHFFFAOYSA-N 323.320 -0.348 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)c2conc2C)C1 1100632977 YTYJQXHBCQGHGE-UHFFFAOYSA-N 304.350 -0.170 30 20 DBED C[C@@]12CN(CC(=O)NCC#N)C[C@@H]1CN(C(=O)[C@H]1CCOC1)C2 1101150795 MUSPPIFSNLNTBV-ZENOOKHLSA-N 320.393 -0.557 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@H]1CC2(CN(CCO)C2)n2ccnc21 1101626065 VBVAFGNPBDMQSZ-WFASDCNBSA-N 320.393 -0.226 30 20 DBED CC#CCN1C[C@@H](C)[C@H](CNC(=O)CCS(=O)(=O)NC)C1 1101966608 UAMZVVNNUYVTLS-CHWSQXEVSA-N 315.439 -0.367 30 20 DBED COCC(=O)N(C)CC(=O)N(C)CCN=c1cc[nH]cc1C#N 1101999817 QHZKKXFZUOFSKB-UHFFFAOYSA-N 319.365 -0.650 30 20 DBED CC#CCN1C[C@@H](C)[C@H](CNC(=O)C[C@@H]2CC(=O)NC2=O)C1 1102621736 OEQUDPNXOWQDAC-JHJVBQTASA-N 305.378 -0.253 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H](C)CNc1cnc(F)cn1 1103956482 SADWKPSYYUVRGY-SNVBAGLBSA-N 307.329 -0.081 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)C[C@H]1CCNC1=O 1104108831 RSOBPIGGGQMQPQ-GHMZBOCLSA-N 316.365 -0.539 30 20 DBED C[C@H](CNC(=O)Cn1nccn1)CNc1cncc(C#N)n1 1104110404 RPYKKTDLJBMVBL-JTQLQIEISA-N 300.326 -0.196 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H]1CN(c2cnc(F)cn2)CCO1 1104330700 VEWHPGPJGCHHTC-NEPJUHHUSA-N 322.340 -0.025 30 20 DBED C[C@@H](CN=c1cc[nH]cc1C#N)N(C)C(=O)CN1CCOCC1 1104527419 MMMLWEXAQRHMKA-ZDUSSCGKSA-N 317.393 -0.034 30 20 DBED C=CCNC(=O)[C@@H](C)NCC[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C 1104616560 BIEUGRSHWPPPBM-IJLUTSLNSA-N 310.398 -0.763 30 20 DBED C[C@@H](CNc1cnc(C#N)cn1)N(C)C(=O)CCn1cnnn1 1104647385 ICZQMJWEDGFCGD-JTQLQIEISA-N 315.341 -0.316 30 20 DBED C=CCCC(=O)N1CC(n2cc(CN[C@H]3CCNC3=O)nn2)C1 1105185239 JUTIXCPTNXVNSL-ZDUSSCGKSA-N 318.381 -0.394 30 20 DBED C#CCNCc1cn(C2CN(C(=O)CCc3cn[nH]c3)C2)nn1 1105342624 NXJGYJDLMWVKLT-UHFFFAOYSA-N 313.365 -0.260 30 20 DBED CN1CC[C@H](C(=O)N(C)CCN(C)c2ccc(C#N)nn2)C1=O 1105525114 OJQBJRVPDWGNHA-LBPRGKRZSA-N 316.365 -0.279 30 20 DBED N#Cc1ccc(NC[C@H]2CCC[C@H]2NC(=O)CNC(N)=O)nn1 1105653972 CTQIGWQFGBDARH-MWLCHTKSSA-N 317.353 -0.287 30 20 DBED N#Cc1nccnc1NC/C=C/CNC(=O)[C@@H]1COC(=O)N1 1107174768 ALHSJLCXFORXGI-YOLVWIGZSA-N 302.294 -0.459 30 20 DBED C[C@]1(C(=O)NC/C=C\CNc2nccnc2C#N)CCNC1=O 1107508719 OAGVRPFZOFWILL-MPNWYJEXSA-N 314.349 -0.041 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCO[C@@](C)(CNC(=O)C2CC2)C1 1107675203 IDDDWFHRPHNCFO-WBMJQRKESA-N 307.394 -0.259 30 20 DBED COC[C@H](O)CN1CCO[C@@](C)(CNC(=O)C#CC2CC2)C1 1107932334 KHUHFPXCVDFJSG-ZBFHGGJFSA-N 310.394 -0.386 30 20 DBED CCN1CCOC[C@H]1C(=O)N[C@H](C)CNc1cncc(C#N)n1 1107994350 CVDVYIDQAQPYDO-YPMHNXCESA-N 318.381 -0.014 30 20 DBED C=CCN1CCO[C@](C)(CNC(=O)CCn2ncn(C)c2=O)C1 1108096232 NCTOXVIJEZBXMG-OAHLLOKOSA-N 323.397 -0.635 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)[C@H](C)CC(N)=O)CC2=O)C1 1108559506 BWVKZEJPFREXNZ-GHMZBOCLSA-N 308.382 -0.915 30 20 DBED COCCC(=O)N1C[C@H]2C[C@H](NCC(=O)NCC#N)C[C@H]1C2 1108597780 VFGRMPYXDMYLHH-RWMBFGLXSA-N 308.382 -0.368 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cc[nH]n1)C2 1108625122 UXPUMMWOTWUZHD-AVGNSLFASA-N 315.377 -0.258 30 20 DBED C#CCOCCC(=O)N1C[C@H]2C[C@@H](NCC(=O)NC)C[C@H]1C2 1108688252 WIPGDPHRBCBEFX-BFHYXJOUSA-N 307.394 -0.259 30 20 DBED C=CCOCC(=O)N[C@@H](C)CN(C)c1nccn2nnnc12 1108867619 WBRJGAQDSCYNTC-JTQLQIEISA-N 305.342 -0.337 30 20 DBED Cc1cc(C#N)nc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)CNC(N)=O)n1 1109679887 PQXIXDAYCVCPCK-UBHAPETDSA-N 315.337 -0.982 30 20 DBED CS(=O)(=O)CC(=O)N[C@H](CNc1cnc(C#N)cn1)C1CC1 1109768910 QYAHLMOMOYALCS-LLVKDONJSA-N 323.378 -0.300 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)COCc1nncn1C 1109912021 QJSDBQFYQWLOLJ-AGIUHOORSA-N 303.366 -0.314 30 20 DBED Cn1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCC#N)c1 1110442488 OJPSPMHESHAWMY-MCIONIFRSA-N 315.377 0.000 30 20 DBED CO[C@H](C)C(=O)NC[C@@]1(O)CCN(c2nc(C)cc(C#N)n2)C1 1111025719 ILMFCCKUMIVJDM-ABAIWWIYSA-N 319.365 -0.251 30 20 DBED COCC(=O)NC[C@@]1(O)CCN(c2ncc(C#N)cc2F)C1 1111033851 ZUWPVVKWJQCIOY-AWEZNQCLSA-N 308.313 -0.204 30 20 DBED C=CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CS(=O)(=O)N(C)C 1111335677 UFJYCNFUPFCUHF-UTUOFQBUSA-N 301.412 -0.215 30 20 DBED CO[C@@H](C)C(=O)N[C@]1(CO)CCCN(c2cncc(C#N)n2)C1 1111336495 QUKSKTQEDFDZFQ-XHDPSFHLSA-N 319.365 -0.169 30 20 DBED CC(C)(C(N)=O)C(=O)N(CCO)CCNc1cncc(C#N)n1 1111519296 CJXNRBCHLQZQRR-UHFFFAOYSA-N 320.353 -0.907 30 20 DBED CN(C)CCC(=O)N1CCO[C@H](CNc2nccnc2C#N)C1 1111962288 UBEGNSIFPNFPAF-GFCCVEGCSA-N 318.381 -0.061 30 20 DBED CNC(=O)NCC(=O)N1C[C@@H](C)[C@@H](Nc2nccnc2C#N)C1 1112341018 XLGNFLUBPSIMDA-KOLCDFICSA-N 317.353 -0.464 30 20 DBED C[C@H]1CN(c2nccnc2C#N)CC[C@H]1NC(=O)CC(N)=O 1112395139 GTANREGOOVELFG-VHSXEESVSA-N 302.338 -0.445 30 20 DBED CC(=O)NCC(=O)NC[C@@H]1CN(c2ccncc2C#N)C[C@H]1O 1112694726 JSMLLQCNCBYBRX-TZMCWYRMSA-N 317.349 -0.997 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)Cc2cccnc2)CC1 1112767192 IRKUVYFMPYODMQ-CQSZACIVSA-N 314.389 -0.094 30 20 DBED C[C@H](C#N)C(=O)NC1CC(CNc2ccc3nnnn3n2)C1 1112829185 WRRXOPPNIPCKPZ-XNWIYYODSA-N 300.326 -0.014 30 20 DBED CCc1cc(C(=O)N2CCN(CC(=O)NCC#N)CC2)n(C)n1 1113452879 LHESOEYRNPRHAN-UHFFFAOYSA-N 318.381 -0.620 30 20 DBED C[C@@H](CNC(=O)[C@H]1CN(C)CCO1)N(C)c1nccnc1C#N 1113533619 IRSTWZZDBQYHJI-WCQYABFASA-N 318.381 -0.380 30 20 DBED C[C@H](CNC(=O)CCCC(N)=O)N(C)c1cnc(C#N)cn1 1113643701 QZIHIEHFGJRTDI-SNVBAGLBSA-N 304.354 -0.055 30 20 DBED C=CCOCCN1C[C@H]2[C@H](NC(=O)CCn3cncn3)[C@H]2C1 1113878406 JZDABWHACDZKMI-NHAGDIPZSA-N 305.382 -0.083 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)c3ncccc3O)[C@@H]2C1 1114164642 WLZLSCZMEWJVIU-GHMZBOCLSA-N 314.345 -0.803 30 20 DBED CC#CCN1C[C@H]2C(NC(=O)[C@H](C)NS(=O)(=O)CC)[C@@H]2C1 1114311141 ILJLYRIIRKMCKG-QJPTWQEYSA-N 313.423 -0.616 30 20 DBED C=C(Cl)CN1C[C@H]2[C@H](NC(=O)CCNS(C)(=O)=O)[C@H]2C1 1114363647 HOUPLKMTYDTWRB-IAZYJMLFSA-N 321.830 -0.275 30 20 DBED C=C(C)C(C)(C)C(=O)N[C@H]1[C@@H]2CN(CC(=O)NC(N)=O)C[C@@H]21 1114680185 FRZDRLGTLYTRBX-IAZYJMLFSA-N 308.382 -0.170 30 20 DBED COc1ccc(C(=O)NC2[C@H]3CN(CC(=O)NCC#N)C[C@H]23)o1 1115007666 NAOIDPNPFHORHB-UWVGGRQHSA-N 318.333 -0.412 30 20 DBED CN(C(=O)CNC(N)=O)[C@@H](CNc1cnc(C#N)cn1)C1CC1 1115466825 ASGFLOMUQXHWEA-NSHDSACASA-N 317.353 -0.335 30 20 DBED N#CCOc1ccc(CC(=O)NCCN2C(=O)CNC2=O)cc1 1116053174 FXYWYLSQOVCZTH-UHFFFAOYSA-N 316.317 -0.201 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N1CCC[C@H](CNC(N)=O)C1 1117543633 HBNWUTKCVVZZLJ-MNOVXSKESA-N 312.370 -0.790 30 20 DBED C#CCNC(=O)C1CCN(c2nnnn2[C@@H]2CO[C@@H](C)C2)CC1 1120160345 QUQVLTFCORAKTN-AAEUAGOBSA-N 318.381 -0.011 30 20 DBED C[C@H](CN(C)C(=O)C1(C(N)=O)CC1)N=c1cc[nH]cc1C#N 1120554598 JFBFIEOBGJBEEV-SNVBAGLBSA-N 301.350 -0.101 30 20 DBED COc1ccnc(N[C@@H](CO)CNC(=O)c2cc(C#N)c[nH]2)n1 1121266242 RWRVGTNMNBASQT-SNVBAGLBSA-N 316.321 -0.112 30 20 DBED CN1CC[C@@H](C(=O)NC[C@H](CO)Nc2cnc(C#N)cn2)C1 1121588499 BFGRESXXKXEDGZ-ZYHUDNBSSA-N 304.354 -0.811 30 20 DBED C=CCn1c(N2C[C@H](OC)[C@H](OC)C2)nnc1[C@@]1(O)CCOC1 1121722910 ODCWLFWPLXEGKA-TYNCELHUSA-N 324.381 -0.078 30 20 DBED Cc1nonc1C(=O)NC[C@@H](CO)Nc1ccc(C#N)nn1 1121733922 GCOHFJRJLGSUDD-VIFPVBQESA-N 303.282 -0.758 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)CO[C@H]2CCOC2)nn1 1122068766 GGUSRIPPXPLVRF-RYUDHWBXSA-N 321.337 -0.957 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)[C@H]2CCCC(=O)N2)nc1 1122176975 GYKCUSHDDNYBNV-VXGBXAGGSA-N 317.349 -0.489 30 20 DBED Cc1nn[nH]c1C(=O)NC[C@@H](CO)Nc1ccc(C#N)cn1 1122386633 SGIDRAREQBVMSR-JTQLQIEISA-N 301.310 -0.417 30 20 DBED CNC(=O)NCC(=O)NC[C@H](CO)Nc1cccc(F)c1C#N 1122785055 VXCZWOIMNGUINH-SECBINFHSA-N 323.328 -0.485 30 20 DBED N#Cc1cnc(N[C@@H](CO)CNC(=O)c2cnn[nH]2)c(F)c1 1122880395 QHLQXNMMFWEXLA-MRVPVSSYSA-N 305.273 -0.587 30 20 DBED CC(C)N(C)CC(=O)N(C)C[C@H](O)CNc1cnc(C#N)cn1 1124380973 GXWQDUFJSNUCSN-CYBMUJFWSA-N 320.397 -0.080 30 20 DBED C[C@@H](CC(N)=O)C(=O)N(C)C[C@H](O)CNc1ccc(C#N)nn1 1124688023 AYZSSDRWXVRASS-GXSJLCMTSA-N 320.353 -0.909 30 20 DBED Cc1nocc1C(=O)N(C)C[C@@H](O)CN=c1cc[nH]c(C#N)n1 1124695011 ULWKJCMCPOIPJH-JTQLQIEISA-N 316.321 -0.388 30 20 DBED C#CCOCCC(=O)NCCNCC(=O)Nc1c(C)n[nH]c1C 1127023644 PNOKJWXFNZEWTB-UHFFFAOYSA-N 321.381 -0.289 30 20 DBED N#CCNC(=O)CNCCNC(=O)[C@@H]1CCCc2n[nH]cc21 1127327725 VEAWFHNVVZIHQC-SNVBAGLBSA-N 304.354 -0.825 30 20 DBED C=CCOCC(=O)NCc1cnn2c1CN([C@@H](C)C(N)=O)CC2 1128259798 UCLUUAPBNKRJFO-NSHDSACASA-N 321.381 -0.609 30 20 DBED C#CCCN[C@@H]1CN(C(=O)c2cncnc2)C[C@@H]1n1ccnn1 1129762854 QYDWRZOTFLEQCD-KGLIPLIRSA-N 311.349 -0.253 30 20 DBED Cn1cnn(CC(=O)NCCNCc2ccc(C#N)cc2)c1=O 1130590745 FRSMXGXMLXANBP-UHFFFAOYSA-N 314.349 -0.641 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)[C@@H]2CCC(=O)NC2)C1=O 1130702249 JJWWBWRJNUZUAK-NEPJUHHUSA-N 308.382 -0.995 30 20 DBED C#CCN1CCOC[C@H]1c1n[nH]c(CNC(=O)C[C@@H](C)OC)n1 1130831552 KAYGGTYKGMWHQD-NEPJUHHUSA-N 321.381 -0.148 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)Cc1cc(CC)nn1C 1131598985 OOYNMEOMNCGYDT-LBPRGKRZSA-N 319.409 -0.631 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)CNC(C)=O)CC[C@H]1C 1131746177 APEHYPWTRBANBJ-YPMHNXCESA-N 310.398 -0.606 30 20 DBED C[C@H]1CC[C@H](NC(=O)c2cn(C)cn2)CN1CC(=O)NCC#N 1131967538 FGUBCSNAENOERG-RYUDHWBXSA-N 318.381 -0.357 30 20 DBED COCC#CCN1C[C@@H](NC(=O)Cn2cnnc2O)CC[C@@H]1C 1131977292 UZKNIZLZCSUKHK-STQMWFEESA-N 321.381 -0.397 30 20 DBED C=CCNC[C@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)CC[C@@H]1C 1132844030 URKDQBSNWNZWFD-RYUDHWBXSA-N 320.397 -0.363 30 20 DBED C=C(C)CN(CC)C(=O)CNCCNC(=O)C1(C(=O)NC)CC1 1135250503 QHKLEOMDWTVMTE-UHFFFAOYSA-N 324.425 -0.357 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)c1ccc(C(N)=O)s1 1135262980 JFQXBKPZIZIJFV-VIFPVBQESA-N 324.406 -0.143 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)c1ncccn1 1135731068 WNWUVTZDCVQWLG-RYUDHWBXSA-N 303.366 -0.288 30 20 DBED N#CCNC(=O)CN1CCC2(C1)CN(C(=O)c1ccncc1)C2 1146875879 KTTVYYLTRXXACS-UHFFFAOYSA-N 313.361 -0.131 30 20 DBED C=C(Cl)CNCCNC(=O)C[C@@]1(C)CCS(=O)(=O)N1 1149106064 YARKXXLIVORHQD-LLVKDONJSA-N 309.819 -0.083 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN([C@H]2CCNC2=O)CCCO1 1149721263 LETMKBGSKKQEGH-KGLIPLIRSA-N 323.393 -0.878 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H](C)N(CC)Cc1nncn1C 1152883480 YZELRODYZQENOR-GFCCVEGCSA-N 320.397 -0.719 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)NCCCNC(=O)C#CC1CC1 1157710507 CGYQVNIKKLSBNT-GFCCVEGCSA-N 320.393 -0.104 30 20 DBED C#CCO[C@@H](C)C(=O)NCCCNC[C@H]1CCS(=O)(=O)C1 1157869461 MPFSTNILZWXWFG-QWHCGFSZSA-N 316.423 -0.445 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1cc(CN(C)C)on1 1161551368 DLHOQWXUUFMCAT-UHFFFAOYSA-N 321.381 -0.805 30 20 DBED C#CCNCCCNC(=O)[C@@H]1CC[C@H](C(=O)N2CCCC2)O1 1166570316 WFPYBBQLFNOLEK-UONOGXRCSA-N 307.394 -0.115 30 20 DBED C#CCNC(=O)CNCCCC[C@H](C)NC(=O)[C@H]1C[C@H]1C(N)=O 1175286857 BEUYXZVVHPRKBH-XQQFMLRXSA-N 322.409 -0.878 30 20 DBED C#CCCNCCCC[C@H](C)NC(=O)C[C@H](NC(C)=O)C(N)=O 1175581959 WPKSVKBOCSPPIO-JSGCOSHPSA-N 324.425 -0.346 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)CSCC#N)[C@H]1C 1178156191 LLQHYVSBZSJHLI-AVGNSLFASA-N 322.434 -0.040 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)CC2(O)CCC2)[C@H]1C 1178641352 LIQPHEBATQUMSO-STQMWFEESA-N 307.394 -0.380 30 20 DBED C=CCCN[C@H]1CCN(C(=O)CNS(=O)(=O)N(C)C)[C@H]1C 1179627041 UPIONTFFIVLMJW-RYUDHWBXSA-N 318.443 -0.463 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2cn(C)nc2C)C1 1181698761 OQXFQATWWCMRJN-CHWSQXEVSA-N 317.393 -0.329 30 20 DBED CC(C)c1n[nH]cc1C(=O)N1CC[C@@H](NCC(=O)NCC#N)C1 1183877695 UWXWAFGCZUOGMK-LLVKDONJSA-N 318.381 -0.023 30 20 DBED C#CCCN[C@@H]1CCN(C(=O)c2ccc(S(N)(=O)=O)o2)C1 1183940502 YLGKOCYOBQYBGZ-SNVBAGLBSA-N 311.363 -0.246 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)C2(COC)CC2)C1 1184292310 LNZATKYZUYRABX-CHWSQXEVSA-N 307.394 -0.259 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1 1187220975 RDYAVAYIYABMLA-UTUOFQBUSA-N 308.382 -0.854 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC[C@@H](NCc2nc(=O)n(C)[nH]2)C1 1188310426 VWVYVSXRJBDDNT-WDEREUQCSA-N 309.370 -0.610 30 20 DBED N#CCN[C@@H]1CCN(C(=O)CCCCCS(N)(=O)=O)C1 1188537132 UODAMUVFGICRKC-LLVKDONJSA-N 302.400 -0.451 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC[C@@H](N(C)Cc2nc(=O)n(C)[nH]2)C1 1189917878 LHTIZMZNSNFSPB-IAQYHMDHSA-N 323.397 -0.532 30 20 DBED C#CCN(C)[C@H]1CCN(C(=O)[C@H](C)NS(=O)(=O)CC)C1 1190288664 BKNMEFAYISSLLM-RYUDHWBXSA-N 301.412 -0.520 30 20 DBED C#CCCN(C)[C@@H]1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)C1 1190482710 HUWLRVPADQJOCI-CYBMUJFWSA-N 318.377 -0.897 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)CC(F)(F)F)C1 1191565338 QFSPQWKUXVSJND-RKDXNWHRSA-N 309.288 -0.598 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2n[nH]cc2F)C1 1192206627 QTBHRZGJCPNLBA-SNVBAGLBSA-N 307.329 -0.556 30 20 DBED CCO[C@H](C(=O)N[C@@H]1CN(CC#N)C[C@H]1O)C1CCOCC1 1195029566 FBDBNAJLESGYSD-MCIONIFRSA-N 311.382 -0.497 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CCN(C(=O)Cn2cccn2)CC1 1199313130 XLGLTBCUIHTYNU-CYBMUJFWSA-N 317.393 -0.398 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)[C@H]2C[C@H]3C=C[C@H]2O3)CC1 1201320867 APYQKFBGWDAMOK-QLFBSQMISA-N 317.389 -0.340 30 20 DBED COCC#CCNC[C@H]1CN(C(=O)[C@@H]2CCN(C)C2)CCCO1 1202058604 LLVWEOYNLTUQTJ-CVEARBPZSA-N 323.437 -0.205 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@@H](NC(=O)CCOC)C12CCC2 1202271422 WUUUQKSQGQJZLQ-QWHCGFSZSA-N 307.394 -0.211 30 20 DBED C=CCCNCC1CCN(C(=O)CN2CC(=O)NC2=O)CC1 1206615871 SQAGFYKYBSADFM-UHFFFAOYSA-N 308.382 -0.058 30 20 DBED C=CCN1CC[C@@H](N[C@@H]2CCCN(C(=O)CNC(C)=O)C2)C1=O 1207116273 JQQFQHHXHUOUNB-ZIAGYGMSSA-N 322.409 -0.510 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)c2ncccc2O)C1 1207875759 WPKYVRMSFFYVDT-LBPRGKRZSA-N 316.361 -0.269 30 20 DBED Cc1nnc(CC(=O)N2CCC[C@@H](NCC(=O)NCC#N)C2)o1 1207972173 OPHJMHCJQCUTSY-LLVKDONJSA-N 320.353 -0.859 30 20 DBED CNC(=O)NC(=O)[C@H](C)N[C@H]1CCCN(C(=O)C#CC2CC2)C1 1208009295 WTMWRZUPXNDRRP-AAEUAGOBSA-N 320.393 -0.176 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCCN(C(=O)CN2CCCC2)C1 1211090280 JGJQGHCYFJMFIS-GJZGRUSLSA-N 320.437 -0.199 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN([C@H](CC)C(N)=O)C[C@H]1OC 1212262324 LHJUGOJAGSJORH-JHJVBQTASA-N 311.382 -0.894 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@@H](Cn2cccn2)N(C)C)[C@H](OC)C1 1212406419 RRDRUEFBVOJGKG-RBSFLKMASA-N 319.409 -0.738 30 20 DBED CC#CCN1C[C@@H](NC(=O)[C@@H](C)CN2CCOCC2)[C@H](OC)C1 1213863479 LNTMTGUCCKMVJI-ARFHVFGLSA-N 323.437 -0.207 30 20 DBED CCOCC1(C(=O)N2C[C@@H](NCC(=O)NCC#N)[C@H](C)C2)CC1 1214999821 PELTZDPNZRRRKC-CHWSQXEVSA-N 322.409 -0.121 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)C(=O)NCC2CC2)C[C@H]1C 1216108589 BRNOVTNHYYEEIQ-TZMCWYRMSA-N 307.394 -0.401 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)CCC1CC1 1217560384 DYWDHPMJOQAKDF-LSDHHAIUSA-N 319.405 -0.162 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)/C=C\C1CC1 1217595405 OZXTZLLDKSMSET-RWCKICOTSA-N 317.389 -0.386 30 20 DBED C#CCOCCC(=O)N1CCO[C@@H]2CN([C@@H](CC)C(N)=O)C[C@@H]21 1217887619 RDAXPYQSEVXVJI-MELADBBJSA-N 323.393 -0.798 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)c2ccoc2)C1 1219179009 XWJMUWGGZTYHHS-UHTWSYAYSA-N 307.350 -0.255 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2cncn2C)C[C@@H]1O 1219605101 JAEQFOXHXWEYDQ-YUTCNCBUSA-N 306.366 -0.880 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H](C)C2CCC2)C1 1219862561 NTPOWVGGTNIUTM-YUTCNCBUSA-N 307.394 -0.667 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@H](C)c2ccco2)C1 1220342456 CJAUJWRDPNMUMP-UPJWGTAASA-N 321.377 -0.153 30 20 DBED CC(=O)N[C@H](CCC(C)C)C(=O)N[C@@H]1CN(CC#N)C[C@@H]1O 1221198651 HIVRRVXGHABTFI-MCIONIFRSA-N 310.398 -0.388 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC[C@@H]2CN(C(=O)c3cnn[nH]3)[C@@H]2C1 1221667102 AVQQLHJVIRHPHL-NQBHXWOUSA-N 318.381 -0.358 30 20 DBED COCC#CCN1CCC(CNC(=O)c2cnn(C)n2)CC1 1224836017 HASDOBUZCAOQFS-UHFFFAOYSA-N 305.382 -0.093 30 20 DBED C=CCN1CC[C@H](N[C@@H]2CCCC[C@H]2NC(=O)CC(N)=O)C1=O 1225508313 HPQQZSZYRFWCDM-UPJWGTAASA-N 322.409 -0.334 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC(NC(=O)[C@@H]2CCN(C)C2)CC1 1230262635 KXSWJXJWOGDEQT-UONOGXRCSA-N 320.437 -0.343 30 20 DBED C#CCN1CCS(=O)(=O)[C@H](CCNC(=O)CCOC)C1 1230398948 MDTUSDULFLWFEL-GFCCVEGCSA-N 302.396 -0.739 30 20 DBED COC[C@H](C)C(=O)NCC[C@@H]1CN(CC#N)CCS1(=O)=O 1230435721 ICIPLMPVXONDEZ-NWDGAFQWSA-N 317.411 -0.602 30 20 DBED CNC(=O)NCCC(=O)N(C)C[C@H]1CCN1CC#CCOC 1234111194 IJDPPDFJZSIJQR-CYBMUJFWSA-N 310.398 -0.512 30 20 DBED C#CCOCCC(=O)N(C)C[C@H]1CCN1CC(=O)NCC=C 1234255252 KHFMVBDGDGCTAO-CQSZACIVSA-N 307.394 -0.139 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)CCn2cccn2)C1 1265887794 HFKMXSQGTKZDGM-ZDUSSCGKSA-N 305.382 -0.234 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC[C@H](NCCN2C(=O)CCC2=O)C1 1266521996 BKGFOIKRFCUWCO-BLLLJJGKSA-N 323.393 -0.347 30 20 DBED N#CCCNS(=O)(=O)c1ccc(C(=O)Nn2cnnc2)cc1 1319994428 RSHPIUUQKGUAIT-UHFFFAOYSA-N 320.334 -0.146 30 20 DBED C[C@H](O)c1cn(CC(=O)OCC(=O)N[C@](C)(C#N)C2CC2)nn1 1320107132 ITZAQPKFPLCZCU-LKFCYVNXSA-N 321.337 -0.317 30 20 DBED N#CCNC(=O)CNC(=O)c1cn(Cc2cccs2)nn1 1324391137 DUKPWTSMXGQANA-UHFFFAOYSA-N 304.335 -0.243 30 20 DBED CCN1CCN(C(=O)C(=O)N2CCC(CC#N)CC2)CC1=O 1325244255 QOUMNUOWDUSFPT-UHFFFAOYSA-N 306.366 -0.171 30 20 DBED N#C[C@H]1CC[C@@H](NC(=O)C(=O)NCCNC(=O)c2cc[nH]n2)C1 1326253089 NZARNEUNTREJIX-VHSXEESVSA-N 318.337 -0.936 30 20 DBED N#CCNC(=O)CNC[C@H]1CCCCN1C(=O)C1=CCOCC1 1326700357 UOSAVAPTHFOPJO-CQSZACIVSA-N 320.393 -0.056 30 20 DBED C#CC[C@H](NC(=O)C(=O)NC[C@H]1COCCN1)c1ccccc1 1328972149 IMYZWDKGWKYILX-GJZGRUSLSA-N 315.373 -0.028 30 20 DBED CCOC(=O)N1CC[C@H](NC(=O)C(=O)N2CCO[C@@H](C#N)C2)C1 1329849818 PQAWUXPCUKVTAK-QWRGUYRKSA-N 324.337 -0.916 30 20 DBED C#CCN1CCC[C@@H](NC(=O)C(=O)Nc2ncncc2OC)C1 1332520914 MXRVATVXNLPFFV-LLVKDONJSA-N 317.349 -0.363 30 20 DBED C#CCCCn1nnnc1N(C)[C@@H]1CCN(S(C)(=O)=O)C1 1334180433 RPTKNRHQCCXNNT-LLVKDONJSA-N 312.399 -0.443 30 20 DBED C=CCOCCn1nnnc1N1CC[C@H]2NC(=O)CC[C@@H]2C1 1334239380 RRFLANJAKCZDGN-VXGBXAGGSA-N 306.370 -0.019 30 20 DBED C#CCSCCn1nnnc1N1CC[C@H]2COC(=O)N[C@@H]2C1 1334669202 ZZJBMHZHHLGADG-WDEREUQCSA-N 322.394 -0.026 30 20 DBED C=CCC1(O)CCN(C(=O)C(=O)N(CC)[C@@H]2CCNC2=O)CC1 1334991695 CSFOICKWXUHGBS-GFCCVEGCSA-N 323.393 -0.347 30 20 DBED Cc1ncc(NC(=O)C(=O)NCCn2cnc(C#N)n2)s1 1342523597 ALOMZIDPDYGTJM-UHFFFAOYSA-N 305.323 -0.330 30 20 DBED C#CCN(C)c1nnc([C@@H]2CNC(=O)C2)n1C[C@H]1CCOC1 1348734794 CMVIJQBJJNGKJF-NEPJUHHUSA-N 303.366 -0.013 30 20 DBED C=CCS(=O)(=O)CCN1C(=O)N[C@@H](Cc2cnc[nH]2)C1=O 1350943827 KAUPNEQPPBPWNO-JTQLQIEISA-N 312.351 -0.527 30 20 DBED CO[C@@H](C)CN(C)C(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1351845672 BJAPDCGCVPLVHT-WCQYABFASA-N 308.382 -0.322 30 20 DBED N#Cc1cccc(OCC(=O)NC[C@@]2(O)CCS(=O)(=O)C2)c1 1362691821 FUGZYGZTRXUATO-AWEZNQCLSA-N 324.358 -0.397 30 20 DBED CCn1nccc1CNC(=O)CCn1cc(C#N)c(O)nc1=O 1363098875 YIGXNYCSKPZJEZ-UHFFFAOYSA-N 316.321 -0.257 30 20 DBED C[C@@H](C(=O)N1CC(CNC(=O)[C@H](C)C#N)C1)S(C)(=O)=O 1374896698 BLAJCGBCGOMDQL-BDAKNGLRSA-N 301.368 -0.846 30 20 DBED COCC(=O)NCCC(=O)N1CCC[C@H](NC(=O)[C@@H](C)C#N)C1 1385486588 BGFXNMOEKBTNHD-RYUDHWBXSA-N 324.381 -0.594 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CCN(C(=O)CN(C)C(=O)C2CC2)C1 1385609614 DRKAWUJEWCPBFC-CMPLNLGQSA-N 306.366 -0.268 30 20 DBED C[C@H](C#N)C(=O)N1CC([C@@H](C)NC(=O)Cn2ccccc2=O)C1 1395271229 AYISQIYQZDFOHN-VXGBXAGGSA-N 316.361 -0.029 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CCN(C(=O)c2ccc3nnnn3c2)C1 1407769423 YSENKIQDPUGBLK-KOLCDFICSA-N 313.321 -0.385 30 20 DBED C[C@@H]1[C@@H](C)[S@@](=O)CCN1C(=O)Cn1cc(C#N)c(O)nc1=O 1412089258 WFCTWJWHSNAEFP-PIWWNVKXSA-N 324.362 -0.812 30 20 DBED CO[C@H](C1CC1)[C@H](C)NS(=O)(=O)N1CCO[C@H](C#N)C1 1413342385 PVCOXQSCWJBQKR-WCQGTBRESA-N 303.384 -0.141 30 20 DBED CNC(=O)[C@@H](O)CNC(=O)[C@H]1CCCN1c1ccc(C#N)cc1 1413850454 OLWHAWSSNINRFR-KGLIPLIRSA-N 316.361 -0.250 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H](CNC(=O)c2cnn[nH]2)C2CC2)c1 1414869234 SBKCVEJPZRQQAG-NSHDSACASA-N 313.321 -0.057 30 20 DBED Cc1cc(C)c(C(=O)NC[C@H](O)CNC(=O)[C@@H](C)C#N)c(O)n1 1416774458 GSMUICGDZRWWLK-GXSJLCMTSA-N 320.349 -0.229 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H](CNC(=O)Cn2cncn2)C1 1430304793 RMZXWGFVHBEQQU-NWDGAFQWSA-N 304.354 -0.207 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)CN(C)C(=O)C2CC2)CC1 1432198161 OSOLKYUYGVGNQC-SNVBAGLBSA-N 306.366 -0.221 30 20 DBED COCC(=O)N(C)CC(=O)N[C@]1(C)CCN(C(=O)[C@H](C)C#N)C1 1432562517 NYFXREUMQKXECA-IAQYHMDHSA-N 324.381 -0.642 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)c2ccc(=O)n(C)c2)CC1 1433980975 RWCIVSJUELOAIV-SNVBAGLBSA-N 302.334 -0.076 30 20 DBED CN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CCN(CC(=O)NC(N)=O)C1 1438221806 OJIISDHXKBOSRO-JTQLQIEISA-N 318.337 -0.772 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@]2(O)CCN(Cc3cnon3)C2)c1 1446768679 OJSNMLFMVSQPPC-CQSZACIVSA-N 316.321 -0.364 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)CCc2ccncc2)C1 1452754330 SAXLVLPVJUWTNW-YUTCNCBUSA-N 316.361 -0.138 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1C[C@@H](NC(=O)[C@H]2CCCN2C)C1 1480196273 IDNCULMUOOGTBF-YIYPIFLZSA-N 306.410 -0.545 30 20 DBED C#CCNC(=O)CNC[C@@H]1CCCN1C(=O)[C@@H](CC)N(C)C 1483933468 BNJUNAQVCPOVLZ-UONOGXRCSA-N 308.426 -0.343 30 20 DBED C=C(Cl)CN1CC(O)(CNC(=O)c2ccn(C)c(=O)c2)C1 1500866831 WHFZLDVULYRMSA-UHFFFAOYSA-N 311.769 -0.086 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@](C)(NC(=O)CN2CCOCC2)C1 1506446327 ZCMNIHPSEWZVGX-IUODEOHRSA-N 308.382 -0.415 30 20 DBED C[C@H](C#N)C(=O)NC1CN(C(=O)[C@H](C)CN2CCOCC2)C1 1530618437 QONOOZWTQPGSRZ-VXGBXAGGSA-N 308.382 -0.559 30 20 DBED CC#CCNC[C@H](O)CN(C)C(=O)[C@H](C)OCc1cnn[nH]1 1575123869 XRFSSHUMEUKCTP-AAEUAGOBSA-N 309.370 -0.858 30 20 DBED N#Cc1nc(N)n(CCc2ccc(C(N)=O)cc2)c1-c1nn[nH]n1 1581878534 PRQHQJKKJOSLAZ-UHFFFAOYSA-N 323.320 -0.141 30 20 DBED C#CC[C@@H](CO)NC(=O)NCc1nc(-c2nn[nH]n2)cs1 1588331658 QQKJWDPYUPRAPG-ZETCQYMHSA-N 307.339 -0.493 30 20 DBED C#CC1(O)CN(S(=O)(=O)c2ccc(F)cc2-c2nn[nH]n2)C1 1588333301 KRZVDWYGRMZMBC-UHFFFAOYSA-N 323.309 -0.626 30 20 DBED C=C1C[C@@H]2CC[C@H](C1)N2C(=O)C(=O)N1C[C@@H](O)C[C@@H](C(=O)O)C1 1588644294 NGBURIFNDJJGQX-NDBYEHHHSA-N 322.361 -0.010 30 20 DBED CC#CC[C@H](CO)NS(=O)(=O)c1ccc(-c2nn[nH]n2)nc1 1588738895 VBNJSTCKQLPHSX-SECBINFHSA-N 322.350 -0.686 30 20 DBED N#C[C@H]1CN(C(=O)NCc2ccc(-c3nn[nH]n3)cn2)CCO1 1592671739 NTZTUJNOFDUXAC-NSHDSACASA-N 314.309 -0.304 30 20 DBED N#Cc1nc(NCc2nnc3n2CCC3)cnc1-c1nn[nH]n1 1592707535 KJLIDBNQHZERLZ-UHFFFAOYSA-N 309.297 -0.322 30 20 DBED CN(C(=O)C(=O)N1CCO[C@](C)(C#N)C1)[C@H]1C[C@@H](C(=O)O)C1 1597983103 QGIXMGZVHMAFAF-ISTVAULSSA-N 309.322 -0.551 30 20 DBED N#Cc1nccnc1N1CCN(C(=O)[C@@H]2C[C@H]2C(=O)O)CC1 1601134937 CZCFUAXJQPSGRY-NXEZZACHSA-N 301.306 -0.282 30 20 DBED C#CCN(CC(=O)O)c1nnc(C[C@H]2CCNC(=O)C2)n1CC 1602700760 IKLUUJFMRIWUEZ-LLVKDONJSA-N 319.365 -0.109 30 20 DBED C[C@H](CC(=O)O)CC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1604104716 AGMMESXATVWSES-OUJBWJOFSA-N 314.363 -0.116 30 20 DBED N#CCSCC(=O)NC1(CNC(=O)[C@@H]2C[C@H]2C(=O)O)CC1 1608187412 XRJDSPRPOAPWBJ-RKDXNWHRSA-N 311.363 -0.271 30 20 DBED C=CCOCCCC(=O)N1CCS(=O)(=O)C[C@H]1C(=O)O 1609636957 ZSWYDKOTEZBIPD-JTQLQIEISA-N 305.352 -0.321 30 20 DBED C[C@@H](OC(=O)[C@H](O)c1ccc(C#N)cc1)C(=O)NCC(=O)O 1609790528 SWMGEHVELWLDPY-PRHODGIISA-N 306.274 -0.276 30 20 DBED N#CCC1(CNC(=O)C(=O)N2CCC([C@H](O)C(=O)O)CC2)CC1 1610620160 BTEXMJASDGRHGY-NSHDSACASA-N 323.349 -0.519 30 20 DBED CC(C)C#CC(=O)N[C@H](CO)CNC(=O)[C@@H](C(C)C)N(C)C 1718631315 FIHOFWLPCOTHHW-DZGCQCFKSA-N 311.426 -0.175 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(CCNC(=O)C2(C)CC2)CC1 1752365568 CXWSVKLQRGUUPT-AWEZNQCLSA-N 320.437 -0.342 30 20 DBED CC[C@@H](CNC(=O)c1cn(C)nc1C)NCC(=O)NCC#N 1753469079 SVTAJPXNWZJKGB-NSHDSACASA-N 306.370 -0.534 30 20 DBED COCC#CCNC[C@@H]1[C@H](C)CCCN1C(=O)CCNC(N)=O 1753813793 MMYRJEUDIYXLBS-ZIAGYGMSSA-N 324.425 -0.089 30 20 DBED C=CCNC(=O)CNC[C@@H](O)CNC(=O)C1(C)CCOCC1 1753930549 JQQLLDKULXVTQR-GFCCVEGCSA-N 313.398 -0.828 30 20 DBED Cn1nccc1CCC(=O)NC[C@H]1CCN1CC(=O)NCC#N 1754485477 WDAGHEBBANQDEP-CYBMUJFWSA-N 318.381 -0.817 30 20 DBED C#CCNC(=O)CN1CC(N(C)C(=O)[C@@H](C)OCC(C)C)C1 1754571270 SYIPJISXLGUZCM-CYBMUJFWSA-N 309.410 -0.061 30 20 DBED C=CCOCCN1CC[C@@](O)(CNC(=O)c2cnns2)C1 1754745813 ICIZMGLCWGBBIW-CYBMUJFWSA-N 312.395 -0.093 30 20 DBED C#CCNC(=O)CN(C)CCCN(C)C(=O)Cn1nccc1C 1755045654 DAJFLVBLBOAVNH-UHFFFAOYSA-N 319.409 -0.279 30 20 DBED C#CCNC(=O)CNCC1(NC(=O)COCC)CCOCC1 1755091898 AKEGJLXGVUEKJF-UHFFFAOYSA-N 311.382 -0.973 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(CNC(=O)c3cccnc3)[C@@H]2C1 1755432908 MXSUVGCSVRMWIR-GJZGRUSLSA-N 312.373 -0.261 30 20 DBED Cc1occc(=O)c1OCC(=O)N(C)C[C@@H](O)CN(C)CC#N 1755803532 WQOPRNFQFZHISJ-LBPRGKRZSA-N 323.349 -0.398 30 20 DBED C#CCNC(=O)CNC[C@@H](NC(=O)[C@H]1CCOC1)C(C)(C)C 1755819293 AMIDVHKUVVGMAC-QWHCGFSZSA-N 309.410 -0.107 30 20 DBED C#CCO[C@H](C)C(=O)N(C)[C@H](C)CNC(=O)c1cn(C)nn1 1756022906 MISSACOOBIWOCX-GHMZBOCLSA-N 307.354 -0.570 30 20 DBED C[C@H](Oc1ccc(C=NNCCS(N)(=O)=O)cc1)C(=O)O 1776046955 PEENYTPYMRVFKM-VIFPVBQESA-N 315.351 -0.250 30 20 DBED Cn1ncc(C(=O)O)c1/C=C/C(=O)c1cn(CC(=O)O)nn1 1777564466 ZMHMVQNBLIJSDF-NSCUHMNNSA-N 305.250 -0.310 30 20 DBED C[C@H](CN)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC#N)C[C@@H]21 1786783640 QZCBFMZRSCDKSD-VOAKCMCISA-N 308.382 -0.525 30 20 DBED CC[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1CC1 1793258697 NUBCJAJAQDACIY-HLPPOEQASA-N 320.389 -0.240 30 20 DBED CN[C@@H](CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CC#N)C2)C(=O)O 1796088357 LVCRHGSTDSEGBK-USZNOCQGSA-N 322.365 -0.399 30 20 DBED C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CNC(=S)NCC)C2 1801601368 JGIZWOVSCMSYRS-ZSBIGDGJSA-N 322.434 -0.258 30 20 DBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)OC)CCO2 1829941257 AYHZDQHYWBQQHQ-INIZCTEOSA-N 324.377 -0.499 30 20 DBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc[nH]1)CCO2 1837788607 SINMWCJHEZPGBZ-INIZCTEOSA-N 317.345 -0.282 30 20 DBED CCCCNC(=O)CN1CCN(CC(=O)NCCC#N)CC1 27364255 DXBBMWFODGIXSC-UHFFFAOYSA-N 309.414 -0.450 30 20 DBED N#Cc1ccsc1NC(=O)CN1CCN(C(=O)CO)CC1 89422808 KSENYBHXPAUHJD-UHFFFAOYSA-N 308.363 -0.305 30 20 DBED CCN(CC)C(=O)CSc1c(C#N)c(=O)n(C)c(=O)n1C 132239072 LUFLSHCMUZYSQJ-UHFFFAOYSA-N 310.379 -0.084 30 20 DBED CCOCCOCCN(C)c1c(C#N)c(=O)n(C)c(=O)n1C 190257560 VASNEHWFILPREB-UHFFFAOYSA-N 310.354 -0.555 30 20 DBED CS(=O)(=O)NCCCNS(=O)(=O)c1ccccc1C#N 220660678 YFLVLXWMIPKTQC-UHFFFAOYSA-N 317.392 -0.224 30 20 DBED N#Cc1c(Cl)nsc1N1CCN2C(=O)C(=O)NC[C@H]2C1 269057556 SNFDXYYSCWFWAH-LURJTMIESA-N 311.754 -0.185 30 20 DBED Cc1ccc(S(N)(=O)=O)c(C(=O)N2CCN(CC#N)CC2)c1 270971117 CSVIEPHBECNILZ-UHFFFAOYSA-N 322.390 -0.076 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H]2CCO[C@@H](C)C2)C1=O 271436909 GPMJXBPSQKJYSV-QWRGUYRKSA-N 323.349 -0.106 30 20 DBED C=CC[C@@H](NS(=O)(=O)c1cnn(CCOC)c1)C(=O)O 274962719 VGEHYPNUOUMZQZ-SNVBAGLBSA-N 303.340 -0.163 30 20 DBED CCOC(=O)CO/N=C(/C(=O)N1CC(C)(O)C1)c1cc[nH]n1 278818179 UKEVLSCYWTUSML-LFIBNONCSA-N 310.310 -0.713 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)[C@@H](C)CS(C)(=O)=O)C1=O 280987330 AEFYPSKHCIZGIJ-QWRGUYRKSA-N 302.396 -0.088 30 20 DBED C#CCNC(=O)[C@@H](C)Nc1cccc(C(=O)N(C)CC(N)=O)c1 284072710 KDSXHCAYJGRMBL-LLVKDONJSA-N 316.361 -0.206 30 20 DBED CC[C@@H](CNS(C)(=O)=O)NS(=O)(=O)c1ccc(C#N)o1 295638393 DGGAHFZLEDMYEK-QMMMGPOBSA-N 321.380 -0.243 30 20 DBED C#CCN(CC(=O)O)S(=O)(=O)c1ccc2c(c1)oc(=O)n2C 317591857 DCKXSSFOPOIRMN-UHFFFAOYSA-N 324.314 -0.160 30 20 DBED CCS(=O)(=O)N1CC(C/N=C(/O)[C@@H]2COCCN2C)C1 328948741 BWAWLANXYSQURL-NSHDSACASA-N 305.400 -0.445 30 20 DBED CN(/C(O)=N/C[C@H]1CCCN1S(C)(=O)=O)[C@@H]1COC[C@H]1O 329514008 CTFHFPJGJOUUCR-GMTAPVOTSA-N 321.399 -0.984 30 20 DBED COc1nnccc1N=C(O)N1CC[C@@]2(C1)N=C(O)N(C)C2=O 329560433 MGGUSFGENVTCJN-ZDUSSCGKSA-N 320.309 -0.139 30 20 DBED CCC(=O)N1CC[C@H](/N=C(/O)N2C[C@@H]3OCCN(C)[C@@H]3C2)C1 329995641 NNMCKBYVDZGGNC-XQQFMLRXSA-N 310.398 -0.074 30 20 DBED CCCNC(=O)[C@@H]1CCCN(C(=O)Cn2cnc(C#N)n2)C1 331176512 XHSQQQAADBLKLM-LLVKDONJSA-N 304.354 -0.085 30 20 DBED CCOC(=O)C(C)(C)N(C)S(=O)(=O)N1CCO[C@@H](C#N)C1 337094338 OUEWDQOQLRSWAO-JTQLQIEISA-N 319.383 -0.271 30 20 DBED COCCN(CCC#N)S(=O)(=O)NC[C@H]1CC[C@@H](O)C1 337130266 BVYPLXDWUICNTC-NWDGAFQWSA-N 305.400 -0.156 30 20 DBED CN(C)CCOCCNC(=O)C(=O)NCc1cccc(C#N)c1 340147169 CTQCBGKSFVWSMX-UHFFFAOYSA-N 318.377 -0.131 30 20 DBED C[C@@H](C(=O)N1CCN(CC(=O)C2CC2)CC1)n1cnc(C#N)n1 342730864 ZRKPCFHOBVAYFR-NSHDSACASA-N 316.365 -0.166 30 20 DBED C=CCN1CCC(NC(=O)C(=O)N2C[C@H](C)[C@@H](CO)C2)CC1 343764195 KDEOJOLSQCYCNK-QWHCGFSZSA-N 309.410 -0.160 30 20 DBED N#Cc1ccc(C(=O)NC[C@@H]2CCC[C@@]23NC(=O)NC3=O)[nH]1 343980233 MFUIQMOKRVSLLY-RMLUDKJBSA-N 301.306 -0.006 30 20 DBED Cc1[nH]nc(NS(=O)(=O)CCCS(N)(=O)=O)c1C#N 349450216 LTCBRUGROFTZOD-UHFFFAOYSA-N 307.357 -0.990 30 20 DBED CCN(CCO)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N 359022063 PYXGDNPGFVOQLU-UHFFFAOYSA-N 307.354 0.289 30 20 DBED N#Cc1ncn(CCNC(=O)N[C@H]2CC(=O)N3CCCC[C@@H]23)n1 376414647 PKRAHZYZSBDLEW-QWRGUYRKSA-N 317.353 -0.398 30 20 DBED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2C[C@@H](C)NC[C@@H]2C)n1 415575370 XFLXQEIOSMMTHH-MNOVXSKESA-N 318.381 0.483 30 20 DBED COCCO[C@@H]1C[C@H](CO)CN(S(=O)(=O)CCCC#N)C1 447848550 MASUDXAIRZBAMF-QWHCGFSZSA-N 320.411 -0.034 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2C[C@@]23CCOC3)CC1 490972647 HDOXDYWWDMVEDJ-WMLDXEAASA-N 319.405 -0.303 30 20 DBED N#Cc1c[nH]cnc1=NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 518174913 BXAGNSOAQZLUHZ-XRRVDJEJSA-N 309.329 -0.011 30 20 DBED CCC(C#N)(CC)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 528372426 FOXPPNNHZNBWJK-UHFFFAOYSA-N 319.369 -0.326 30 20 DBED CN1CCC[C@@H](CN(C)S(=O)(=O)N2CCO[C@H](C#N)C2)C1 554533805 QCGJRMSQNYKEOZ-CHWSQXEVSA-N 316.427 -0.271 30 20 DBED N#Cc1ccc(S(=O)(=O)NCC(=O)NC[C@@H](N)C2CC2)cc1 571047549 CPTKIUKDPWBZKA-CYBMUJFWSA-N 322.390 -0.310 30 20 DBED CCNC(=O)CN(C)CCS(=O)(=O)c1ccc(C#N)cn1 588957505 ZKSAPFPKKTXDAX-UHFFFAOYSA-N 310.379 -0.205 30 20 DBED CC(C)(C)[C@@H](C#N)NC(=O)[C@H]1CCCN(S(N)(=O)=O)C1 597351375 QGNKZESWXKHZQL-VHSXEESVSA-N 302.400 -0.044 30 20 DBED CN(CCNc1c(C#N)c(=O)n(C)c(=O)n1C)CC(F)F 599203130 QSKIALMOJCGILG-UHFFFAOYSA-N 301.297 -0.436 30 20 DBED COC[C@H](CS(=O)(=O)N1CCN(CCC#N)CC1)OC 603394865 ZMZZXKMJHGJHDM-GFCCVEGCSA-N 305.400 -0.491 30 20 DBED C=C[C@H](O)C(=O)NC[C@@H](Cc1ccccc1)NC(=O)[C@@H](O)C=C 667260746 CXHUMILTFAISOA-ILXRZTDVSA-N 318.373 -0.076 30 20 DBED C=C(C)Cn1c(-c2cc[nH]n2)nnc1N1CCO[C@H](C(N)=O)C1 669337295 GMWJWPHHLKMPSI-NSHDSACASA-N 317.353 -0.065 30 20 DBED C#CCN(C1CCNCC1)S(=O)(=O)C(COC)COC 710190492 UTMCNWZWTHDESQ-UHFFFAOYSA-N 304.412 -0.335 30 20 DBED C#CCC[C@H](O)CNC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 717936747 JUSCRARFVSKRRP-RYUDHWBXSA-N 302.396 -0.452 30 20 DBED C[C@H](Oc1cccc(C=NNC(=S)NCC(N)=O)c1)C(=O)O 731929667 IFCHNJJOLCIVQT-QMMMGPOBSA-N 324.362 -0.178 30 20 DBED Cc1nn(C)c2ncc(S(=O)(=O)N(CC#N)CC(=O)O)cc12 738917816 FZWDJKWSJOYLCU-UHFFFAOYSA-N 323.334 -0.124 30 20 DBED C=C[C@H](C)NC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 757006935 RFMTVPUHUOCZKX-UWVGGRQHSA-N 313.379 -0.157 30 20 DBED C#CCOCCOC(=O)C1=CC=CN2CCS(=O)(=O)N=C12 762712064 RKFUSYGREICAQD-UHFFFAOYSA-N 310.331 -0.323 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)OCCn2ccnc2)C1=O 771941832 ALHYTVIVMFMLKA-UHFFFAOYSA-N 306.278 -0.597 30 20 DBED N#Cc1ncn(CC(=O)N[C@H](CO)C[C@@H](O)c2ccccc2)n1 775784760 HYOQTEUMHIGKKX-QWHCGFSZSA-N 315.333 -0.249 30 20 DBED C=CCN1CC[C@@H](OC(=O)c2cn(C)c(=O)n(C)c2=O)C1=O 798617965 DNCSGQZUYYLGNW-SNVBAGLBSA-N 307.306 -0.972 30 20 DBED C#C[C@@H](NC(=O)C(=O)N(CCO)C1CCOCC1)[C@H]1CCCO1 809310787 DGEGMXZUGRRRJY-ZIAGYGMSSA-N 324.377 -0.717 30 20 DBED N#CCN(CC(=O)O)C(=O)CCOc1cccc(C(N)=O)c1 833065584 DOPMIYIBYLDQLG-UHFFFAOYSA-N 305.290 -0.009 30 20 DBED C#C[C@H](NC(=O)N[C@@H]1CCN(S(C)(=O)=O)C1)[C@H]1CCCO1 845125702 ZDHFKZCYTWMWRL-GRYCIOLGSA-N 315.395 -0.500 30 20 DBED C#C[C@](C)(CC)N[C@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O 852100300 GTJGVLAGXNHBCB-RFAUZJTJSA-N 306.366 -0.371 30 20 DBED CCC1(CC)NC(=O)N(CC(=O)NCC#CCN(C)C)C1=O 913515119 JUBMWHLSWQNVAC-UHFFFAOYSA-N 308.382 -0.222 30 20 DBED CN(C)CC#CCNC(=O)[C@@H]1CNC(=O)C[C@H]1C(F)(F)F 913525412 WJJJCMJWWUHSEQ-NXEZZACHSA-N 305.300 -0.018 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@H]1CC(=O)N(CC)C1 914799546 CJIYASSOTVTYAV-UWVGGRQHSA-N 311.338 -0.202 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)CN1CCCNC1=O 915433803 MIGSBQOWIOOIEI-SECBINFHSA-N 312.326 -0.655 30 20 DBED CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NCC#CCO 923779158 MFAZLRBJLZXEKF-CYBMUJFWSA-N 310.398 -0.776 30 20 DBED O=C(NCC#CCO)NCCS(=O)(=O)Cc1ccccc1 923784517 GNUQTPQCGWLSIR-UHFFFAOYSA-N 310.375 -0.104 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H](C)OC)C1 938171796 LHCWFFBXEOWZRE-RDBSUJKOSA-N 307.394 -0.164 30 20 DBED Cc1cc2[nH]c(=O)c(C(=O)N3C[C@@H](NCC#N)[C@H](C)C3)cn2n1 939317181 VSDNTSOSBSDZFQ-BXKDBHETSA-N 314.349 -0.095 30 20 DBED C[C@@H](C#N)C(=O)N1CCCN(C(=O)CN2CCOCC2=O)CC1 941394610 WCCWCLDWWVGTAY-LBPRGKRZSA-N 322.365 -0.934 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@H](CNC(=O)c2cncnc2O)C1 944640798 LJAYRBYFGHRSPO-VHSXEESVSA-N 319.321 -0.701 30 20 DBED NC(=O)CC(=O)N1CC[C@H]2[C@H](CCN2C(=O)C#CC2CC2)C1 945914093 NMOMOQCPOSVLAR-OLZOCXBDSA-N 303.362 -0.275 30 20 DBED C[C@@H]1C[C@H](C(=O)N(C)C2CN(C(=O)C#CC3CC3)C2)CC(=O)N1 954692504 YXIMOLKAPNPNMA-YPMHNXCESA-N 317.389 -0.016 30 20 DBED CN(C(=O)[C@]1(C)CCC(=O)N1)C1CN(C(=O)C#CC2CC2)C1 955230496 IRPVLBYSKIBQMS-INIZCTEOSA-N 303.362 -0.262 30 20 DBED C[C@H](C#N)C(=O)N1CC(N(C)C(=O)c2cccc(=O)n2C)C1 955265349 KPFGYPCHTFRZPJ-SNVBAGLBSA-N 302.334 -0.172 30 20 DBED CN(C(=O)C1=CCOCC1)[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 958830684 FHSYCKRAMSFGNJ-GJZGRUSLSA-N 318.373 -0.223 30 20 DBED C#CCN1C[C@@H]2C(NC(=O)Cn3nnc(-c4ccco4)n3)[C@H]2C1 960727792 HVYIDMVUZMJSGN-QWRGUYRKSA-N 312.333 -0.387 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1[C@H]2CN(Cc3cn(C)nn3)C[C@H]12 961815299 NRASCSRQUMYBTN-RFGFWPKPSA-N 317.393 -0.047 30 20 DBED Cn1cnc(C(=O)NC2CC3(CC(NCC#N)C3)C2)cc1=O 963962042 WTYLTTPHNGOOFW-UHFFFAOYSA-N 301.350 -0.066 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@H](NC(=O)[C@H]2CCCC(=O)N2)C1 966897015 JQVFYIZNGGNAGP-UTUOFQBUSA-N 323.393 -0.445 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)c2nnn(C)n2)C(C)(C)C1 967096965 AFLJRWVWEUAHJK-UWVGGRQHSA-N 319.369 -0.273 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)c3cnnn3CC)C2)C1 972372692 CLHKTBNDBMTJAZ-HNNXBMFYSA-N 303.366 -0.152 30 20 DBED C=CCCn1cc(C(=O)N2CC[C@H](N(C)[C@H](C)C(N)=O)C2)nn1 972516305 LLYONAPBUWGBTF-NEPJUHHUSA-N 320.397 -0.126 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CCNC2=O)C1 973494220 ATTZCEVHXDMNHN-KVSVUVNWSA-N 321.377 -0.523 30 20 DBED CCn1ncc(C(=O)NC2CN(C(=O)c3ccc(C#N)[nH]3)C2)n1 991184156 PLRKPCWCSWGRPM-UHFFFAOYSA-N 313.321 -0.248 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN(C(=O)c2cnco2)C1 994755051 PSUDUMLCVYYKDS-LBPRGKRZSA-N 302.334 -0.287 30 20 DBED N#CCNC1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)CC1 997175538 HSLGEGJEHTWUMV-UHFFFAOYSA-N 301.310 -0.865 30 20 DBED C=CCCn1cc(C(=O)N[C@@H]2CCCN(CC(=O)NC)C2)nn1 1008815478 QSXIEYSCCWFFNT-GFCCVEGCSA-N 320.397 -0.206 30 20 DBED N#Cc1c[nH]c(C(=O)N2CCN(C(=O)[C@H]3COC(=O)N3)CC2)c1 1010925270 MUJNSEMBIUXNHK-LLVKDONJSA-N 317.305 -0.721 30 20 DBED C=CCN1[C@H]2CC[C@H]1CC(NC(=O)CN1CC(=O)NC1=O)C2 1021412429 DUXQRJVZKOAKCR-RYUDHWBXSA-N 306.366 -0.164 30 20 DBED CCn1nnc(C)c1C(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1O 1024066454 SFWXBXXXYKQOAL-JMJZKYOTSA-N 320.353 -0.932 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@]2(C)CNC(=O)C2)C1 1024725892 NDEUPNWNYUJBBG-UVWXRNBGSA-N 323.393 -0.587 30 20 DBED C#CCN(C)[C@@H]1CCCN(C(=O)c2cn(C)c(=O)n(C)c2=O)C1 1027600866 NEHRGCXCWSVSGE-GFCCVEGCSA-N 318.377 -0.746 30 20 DBED N#CCN1CC[C@H](CNC(=O)[C@H]2CN3CC4CC3(CO2)C4)C1 1028698700 PXFGCUZHONJASE-ILTLLKDXSA-N 304.394 -0.189 30 20 DBED N#CCN1CC[C@@H](CNC(=O)[C@H]2COCCN2CC(F)F)C1 1028712643 WMFHEFQVWPVYQM-NWDGAFQWSA-N 316.352 -0.086 30 20 DBED C[C@H]1CN(C(=O)c2cc(=O)n3[nH]cnc3n2)CC[C@@H]1NCC#N 1036252128 AITYIYGRZPLKCT-UWVGGRQHSA-N 315.337 -0.619 30 20 DBED CN1CCC[C@@H]1C(=O)N1CC[C@@](O)(CNC(=O)C#CC2CC2)C1 1039677685 KYYTZJKAZPNUHG-RHSMWYFYSA-N 319.405 -0.426 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@]1(O)CCN(C(=O)c2cc[nH]c2)C1 1039725317 GJWDHHHRDRXSES-WBMJQRKESA-N 319.361 -0.254 30 20 DBED CC(=O)N1CCO[C@@H](C(=O)N2C[C@@H]3CCC[C@H](C2)N3CC#N)C1 1039988721 CRAATYSAAWQDFP-QLFBSQMISA-N 320.393 -0.177 30 20 DBED COCC(=O)N1CC[C@H]2OCCN(c3ccnc(C#N)n3)[C@H]2C1 1039989559 GLZFXJBWIDENSL-NWDGAFQWSA-N 317.349 -0.199 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)C3CCOCC3)C2)nn1 1040905178 UCXDTKOKGBHYBR-CHWSQXEVSA-N 317.349 -0.559 30 20 DBED C=C[C@](C)(CCOC)C(=O)N1CC(O)(CNC(=O)COC)C1 1041161118 TZTKWJARDBWRJI-CQSZACIVSA-N 314.382 -0.449 30 20 DBED CCc1nc(C(=O)NCC2(O)CN(C(=O)[C@@H](C)C#N)C2)co1 1042694315 CKHUWWXUUUIJHM-VIFPVBQESA-N 306.322 -0.300 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)Cn2cccn2)C1 1042802030 CFPJZYIMQSWQHB-UHFFFAOYSA-N 304.350 -0.624 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)[C@H]2CC[C@@H](C)O2)C1 1043042683 UKXPPVHBWIOARY-FRRDWIJNSA-N 324.377 -0.718 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)C[C@@H]2CCN(C)C2=O)C1 1043517983 RMIPBZITCLEKJC-LBPRGKRZSA-N 323.393 -0.490 30 20 DBED C=C[C@@H](C)[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2cnn(C)n2)C1 1044979475 FVZIJEUJHQALCN-GHMZBOCLSA-N 321.381 -0.424 30 20 DBED CNC(=O)CN1CC[C@H](N2CCN(C(=O)[C@@H](C)C#N)CC2)C1 1046011667 FWIYDFUHDNUMAJ-STQMWFEESA-N 307.398 -0.889 30 20 DBED C=C1CC(C)(C(=O)NCC2(O)CN(C(=O)CCNC(N)=O)C2)C1 1046311414 BAYXAPYCJVSGRS-UHFFFAOYSA-N 324.381 -0.909 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccnc3[nH]nnc23)C1 1047452500 MOVJTGNFROXRHF-QWRGUYRKSA-N 302.338 -0.344 30 20 DBED C=CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCNC(=O)CC2)C1 1047469794 CMQIANCLUOXEEE-IHRRRGAJSA-N 309.410 -0.018 30 20 DBED CN(C(=O)C(F)F)[C@H]1CN(C(=O)CSCC#N)C[C@@H]1O 1047972699 CLZJNPDGFVLGSZ-YUMQZZPRSA-N 307.322 -0.462 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cnsn2)C1 1048385647 SJGWQUKIIGQIGM-RYUDHWBXSA-N 322.390 -0.159 30 20 DBED COCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]c(C#N)c2)C1 1048708578 GJFJAUBCWOUUSS-STQMWFEESA-N 320.349 -0.433 30 20 DBED N#CCN1C[C@H]2CN(C(=O)c3cnc4n3CCOC4)C[C@H]2C1 1048872810 GMEYJRFXLFGBJI-TXEJJXNPSA-N 301.350 -0.059 30 20 DBED C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1c(O)nnc1O 1049868662 VPUJCEBUDOPGMU-QWRGUYRKSA-N 305.338 -0.612 30 20 DBED Cc1nnc2n1C[C@H](C(=O)NC[C@@H]1COCCN1CC#N)CC2 1051258310 MZLRMTOCVQECAK-CHWSQXEVSA-N 318.381 -0.511 30 20 DBED CN1CCC[C@@H](NC[C@@H]2CN(C(=O)C#CC3CC3)CCO2)C1=O 1051609021 MOYHOXSRICYIDG-HUUCEWRRSA-N 319.405 -0.162 30 20 DBED C#CCN1CCN([C@H]2CCN(C(=O)Cc3cc[nH]n3)C2)CC1 1052002685 JRHWGQDCBLIPCE-HNNXBMFYSA-N 301.394 -0.196 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)c1cc3n(n1)CCO3)CCO2 1053288764 QMFAIQRZOOLSHL-UHFFFAOYSA-N 316.361 -0.174 30 20 DBED COCc1cc(C(=O)N2CCOC3(CN(CC#N)C3)C2)no1 1053461638 UFNLDLCQOMBRGG-UHFFFAOYSA-N 306.322 -0.129 30 20 DBED C#CCN1CC2(CC[C@@H](CNC(=O)[C@H]3CC[C@@H](C(N)=O)O3)O2)C1 1053660907 QPWCDZNLOAGIEU-RWMBFGLXSA-N 321.377 -0.998 30 20 DBED C[C@H](O)CN1CC2(C[C@@H](NC(=O)c3c[nH]c(C#N)c3)CO2)C1 1053780357 JFGJUNKKDCYUPU-GXFFZTMASA-N 304.350 -0.160 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)c3cc(C(N)=O)c[nH]3)CO2)C1 1053967768 DPUWGHTUZXCZGC-LLVKDONJSA-N 302.334 -0.680 30 20 DBED C[C@@]1(C(=O)N2CCN(c3nccnc3C#N)CC2)CCNC1=O 1056018951 YVYSCOBQMSQLDH-OAHLLOKOSA-N 314.349 -0.477 30 20 DBED N#Cc1cnc(N2C[C@H]3[C@H](NC(=O)[C@@H]4COCCO4)[C@H]3C2)cn1 1056135360 OIUHKFAUAZIOPO-KZVDOYCCSA-N 315.333 -0.686 30 20 DBED N#Cc1nc(N2C[C@@H]3C(NC(=O)C(N)=O)[C@H]3C2)sc1Cl 1056381624 ACYMGYSPEYZPRE-WHFBIAKZSA-N 311.754 -0.296 30 20 DBED C=CCO[C@H](C)C(=O)NCCN(CCO)C(=O)c1cnn(C)c1 1056935284 BHAFWQYGJMSGMM-GFCCVEGCSA-N 324.381 -0.438 30 20 DBED C#CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)c1ccc[nH]1 1056951628 NNQIPKHCJYDNSB-LBPRGKRZSA-N 307.350 -0.396 30 20 DBED Cc1c[nH]c(C(=O)NCCN(CCO)C(=O)C#CC(C)C)n1 1057525182 LKYXSFZHRDWOEQ-UHFFFAOYSA-N 306.366 -0.072 30 20 DBED O=C(NCCN(CCO)C(=O)C#CC1CC1)c1ccnnc1 1057535904 HOKAGMXQIXBMOC-UHFFFAOYSA-N 302.334 -0.559 30 20 DBED C=C(C)C(C)(C)C(=O)N(CCO)CCNC(=O)Cn1cnnn1 1058286500 RBDBAORJOXQYOX-UHFFFAOYSA-N 324.385 -0.788 30 20 DBED CC(=O)N1CC(C(=O)N[C@@H]2CCN(c3ccc(C#N)nn3)C2)C1 1058335904 INZPXYXYRWYMOT-CYBMUJFWSA-N 314.349 -0.479 30 20 DBED C=C1CC(C)(C(=O)NCCN(CCO)C(=O)c2cnon2)C1 1058511522 ADNAXCDKXGEVBK-UHFFFAOYSA-N 308.338 -0.023 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)[C@@H](C)OCC1CC1 1058652695 CKLHPAHKFFRBLD-VXGBXAGGSA-N 311.382 -0.102 30 20 DBED C#CCO[C@H](C)C(=O)N1CCOC[C@H]1CNC(=O)CCOC 1061171839 IENLZZXPLNBWAA-CHWSQXEVSA-N 312.366 -0.595 30 20 DBED C=CCCC(=O)NC[C@@H]1COCCN1C(=O)CCNC(N)=O 1061410114 KOLOKZRMLTYNMT-LLVKDONJSA-N 312.370 -0.645 30 20 DBED CC(C)N(C)CC(=O)NC[C@@H]1COCCN1C(=O)[C@H](C)C#N 1061651412 OZKYNNYFOYRNMP-CHWSQXEVSA-N 310.398 -0.170 30 20 DBED N#Cc1cnccc1N1CC[C@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 1061717628 GFRVBJMIGSUZNE-PWSUYJOCSA-N 314.349 -0.423 30 20 DBED C=CCn1cccc1C(=O)NCC1(NC(=O)C(N)=O)CCC1 1063399504 NEDFBOURQQCGDA-UHFFFAOYSA-N 304.350 -0.072 30 20 DBED N#Cc1cccnc1N1CCO[C@H](CNC(=O)c2cnon2)C1 1063638974 ISTXXRPXFWOXNC-LLVKDONJSA-N 314.305 -0.029 30 20 DBED N#Cc1ccc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)Cn2ccnc2)nn1 1064269659 DSDDWXPLFRMCRT-IFUGULHKSA-N 309.333 -0.062 30 20 DBED CSCC(=O)N1CCO[C@H](CNC(=O)CSCC#N)C1 1064817659 KQCTYCBIWKYHCG-SNVBAGLBSA-N 317.436 -0.050 30 20 DBED C=CCCC(=O)N1CCO[C@@H](CNC(=O)[C@H](C)CC(N)=O)C1 1064960200 SJKJBPCHLYLDGL-NEPJUHHUSA-N 311.382 -0.192 30 20 DBED CCNC(=O)CCC(=O)N1CCO[C@H](CNC(=O)[C@@H](C)C#N)C1 1064967341 GAHKSEMGEXQTPE-NWDGAFQWSA-N 324.381 -0.594 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)[C@@H](C)COC)CCO1 1064968379 VMAHJPWHCKXQGM-STQMWFEESA-N 314.382 -0.185 30 20 DBED C=C[C@](C)(CC)C(=O)NC[C@@H]1CN(C(=O)CC(N)=O)CCO1 1064999547 YMKRBKQTFXRJRR-IAQYHMDHSA-N 311.382 -0.192 30 20 DBED C#CCCCC(=O)N1CCO[C@@H](CNC(=O)C2(C(N)=O)CC2)C1 1065095678 MTMKQDZFCGNXLB-LBPRGKRZSA-N 321.377 -0.601 30 20 DBED C=CC(C)(C)C(=O)N1CCO[C@@H](CNC(=O)Cn2cncn2)C1 1065426354 QTEHIEGPAZFKRA-LBPRGKRZSA-N 321.381 -0.166 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CCCN(C(=O)Cn2cnnn2)CC1 1066143274 ZPKXBRWGMSWHFC-CYBMUJFWSA-N 318.381 -0.170 30 20 DBED CCN(CC)CC(=O)N1CC2(C1)CN(C(=O)[C@@H](C)C#N)CCO2 1068452133 ZULIPHUYKNRBBO-ZDUSSCGKSA-N 322.409 -0.072 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CCC2(CN(C(=O)c3cnon3)C2)O1 1068620203 JBLKUSZBPXCIIV-ZJUUUORDSA-N 319.321 -0.281 30 20 DBED C#CCCCC(=O)N[C@H]1COC2(C1)CN(C(=O)CC(N)=O)C2 1068837025 RJWFJEIMPWGGHF-LLVKDONJSA-N 307.350 -0.849 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)C2CCOCC2)C1 1069888430 XKGIENJUKXLJHZ-KGLIPLIRSA-N 303.366 -0.321 30 20 DBED C#CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)Cc2ccon2)C1 1069904393 XYPDPWPSYAUYNH-KGLIPLIRSA-N 314.349 -0.126 30 20 DBED C#CCCN1CCNC(=O)CCN(C(=O)c2cnns2)CC1 1070942323 ZHPKTBHIDOWQPN-UHFFFAOYSA-N 321.406 -0.175 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)[C@]2(C)CCNC2=O)CC1 1071000109 ODUCXXZKDUSDHR-MRXNPFEDSA-N 322.409 -0.651 30 20 DBED C#CCOCCC(=O)N[C@H]1CN(C(=O)Cc2cc[nH]n2)C[C@H]1C 1071851545 YYYSHYLTALGDBG-OCCSQVGLSA-N 318.377 -0.045 30 20 DBED CC#CCN1CCCO[C@H](CNC(=O)c2cc(=O)n(C)o2)C1 1073585357 GTIZIEGNPYNZKZ-GFCCVEGCSA-N 307.350 -0.178 30 20 DBED C#CCCN1CCCO[C@H](CNC(=O)[C@@H]2COCCN2CC)C1 1073665323 WUWNVJSPSFZBAS-CVEARBPZSA-N 323.437 -0.063 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(C(=O)Cn2cnnn2)C[C@H]1C 1073818428 ZNSHYTFNFDLFDW-VXGBXAGGSA-N 322.369 -0.771 30 20 DBED N#CCN1CCCO[C@H](CNC(=O)c2ccc(C(N)=O)nc2)C1 1073908502 MTTYCWGFCJJQNR-GFCCVEGCSA-N 317.349 -0.475 30 20 DBED C[C@H](C#N)C(=O)N1CCC(O)(CNC(=O)Cn2ccnc2)CC1 1074705964 CXJHAMXNWNIACS-GFCCVEGCSA-N 319.365 -0.488 30 20 DBED C[C@H]1[C@@H](NCC#N)CCN1C(=O)[C@H]1CN2CC3CC2(CO1)C3 1074757176 QGYDVYCIMDRABR-NSVFMMHJSA-N 304.394 -0.048 30 20 DBED C[C@@H](CCNC(=O)c1cc(C#N)c[nH]1)NC(=O)[C@@H]1CNC(=O)N1 1076074122 NDMVRXSONDFTAZ-KWQFWETISA-N 318.337 -0.808 30 20 DBED C[C@@H](CCNC(=O)c1ncn(C)n1)NC(=O)c1ccc(C#N)[nH]1 1076374010 SWSJUNJZKHTLRM-VIFPVBQESA-N 315.337 -0.047 30 20 DBED C#CCN1C[C@@H]2CCN(C(=O)CN3C(=O)NC(=O)C3(C)C)[C@@H]2C1 1076428447 VDTZMHPHWGJYEZ-NWDGAFQWSA-N 318.377 -0.517 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)C2CCC(C(N)=O)CC2)C1 1077272607 DSYFHWWVZVSXFN-NWINJMCUSA-N 307.394 -0.537 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)Cc2ncccc2OC)C1 1077574212 INGPMGVOTLMERB-ZIAGYGMSSA-N 303.362 -0.183 30 20 DBED C[C@@H](CCNC(=O)[C@@H](C)C#N)NC(=O)C1CCN(C(N)=O)CC1 1078139116 GJDCAKQXYWTYSP-QWRGUYRKSA-N 323.397 -0.052 30 20 DBED C#CCOCCC(=O)N[C@@H](C)CCNC(=O)[C@H](COC)OC 1078262024 FWLJFCDUPXIWBO-STQMWFEESA-N 314.382 -0.301 30 20 DBED C#CCNC(=O)CC(=O)N1CC(N(CC)C(=O)CCOC)C1 1079178350 DZBHERLRRVGQTI-UHFFFAOYSA-N 309.366 -0.778 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)CNC(C)=O)C1 1079229286 UDKPHGPKZZBKGK-NSHDSACASA-N 311.382 -0.227 30 20 DBED CCN(C(=O)CCN1CCOCC1)C1CN(C(=O)[C@H](C)C#N)C1 1080096729 TUSKNAWRPGKZAW-CYBMUJFWSA-N 322.409 -0.072 30 20 DBED CCCN(C)CC(=O)N1C[C@H](CNC(=O)C#CC(C)C)[C@@H](O)C1 1081463676 QKKAENAZEXFQTN-GJZGRUSLSA-N 323.437 -0.077 30 20 DBED C=C(C)CN1C[C@@H](NC(=O)[C@H]2CCCS2(=O)=O)[C@H](OC)C1 1082378736 UHDRUWQHOYQTDP-JHJVBQTASA-N 316.423 -0.045 30 20 DBED C=CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)COc1cnn(C)c1 1083176833 RGAYYJGAZMSJRV-UONOGXRCSA-N 306.366 -0.104 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cn(C)c(O)n1 1083183608 MLBPXHODTJFSOT-QWHCGFSZSA-N 304.350 -0.326 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cncc(C(N)=O)c1 1083277903 XOFHPVBXTNMUTJ-QWHCGFSZSA-N 315.333 -0.771 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2cnn(CCOC)c2C)C1 1083458569 VANKOZZOXMLCBF-KGLIPLIRSA-N 306.366 -0.754 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCCN(C(=O)CC)C2)C1 1083483603 AODBWWNZTLGBMM-KFWWJZLASA-N 321.421 -0.180 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)C[C@H]2CCCS2(=O)=O)C1 1083669763 VBYPSXITENBCPN-UPJWGTAASA-N 316.423 -0.309 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2COCCN2CCCC)C1 1083670504 CQXTYANGRZFOGB-ILXRZTDVSA-N 311.426 -0.165 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)[C@H](C2CC2)N2CCOCC2)C1 1084079373 AFGUDMCKGWEXGB-PMPSAXMXSA-N 323.437 -0.165 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)CCN3C(=O)CCC3=O)[C@@H]2C1 1084498256 QVFIYZXRQGIQHN-CHWSQXEVSA-N 303.362 -0.309 30 20 DBED CCN(c1cnc(C#N)cn1)[C@H](C)CNC(=O)[C@H]1CNC(=O)N1 1089728904 SFPFOSPGGLZYKT-MWLCHTKSSA-N 317.353 -0.639 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2cnn3ncccc23)[C@H](O)C1 1090332407 XZYAXEMBZSAMSG-DZGCQCFKSA-N 313.361 -0.082 30 20 DBED COCCC(=O)N[C@@H]1CN(c2nc(C)cc(C#N)n2)C[C@H]1O 1090360832 MECLIEDPGSXSFZ-VXGBXAGGSA-N 305.338 -0.641 30 20 DBED C=CCCC(=O)N[C@@H]1CN(c2nc(C)nc(N(C)C)n2)C[C@H]1O 1090394758 PSGRLBLELGDRIW-VXGBXAGGSA-N 320.397 -0.122 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)c2cc(C(N)=O)cn2C)[C@@H](O)C1 1090397522 BEAWEOYSASMISJ-JSGCOSHPSA-N 320.393 -0.135 30 20 DBED C[C@@H]1CN(c2nccnc2C#N)C[C@H]1NC(=O)CS(C)(=O)=O 1090662989 SHOFWRDTYLBGAY-MWLCHTKSSA-N 323.378 -0.666 30 20 DBED C=CCN1CC[C@H](NC(=O)c2ccc(C(=O)NC)nc2)[C@@H](O)C1 1090734105 JTIWPUWVQCBHSI-JSGCOSHPSA-N 318.377 -0.208 30 20 DBED N#CCN1CC[C@H](NC(=O)c2ccc(C(N)=O)cc2)[C@@H](O)C1 1090803149 XSSNHGOXYNAMSD-STQMWFEESA-N 302.334 -0.526 30 20 DBED C[C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1N=c1cc[nH]cc1C#N 1090955407 NSFNADUSEUREJP-BXKDBHETSA-N 302.338 -0.698 30 20 DBED CC1(C)CC[C@H](CNC(=O)C(N)=O)N(c2nccnc2C#N)C1 1092121674 RBZTWKCWEPMFIN-SNVBAGLBSA-N 316.365 -0.055 30 20 DBED CC#CCN1C[C@@H](C)[C@H](CNC(=O)C2CC(=O)NC(=O)C2)C1 1093049162 MDOQQUGYNWYZEO-DGCLKSJQSA-N 305.378 -0.253 30 20 DBED CCN1CCO[C@H](C(=O)NCCCNc2ccc(C#N)nn2)C1 1094446584 FXFSDGXMRWIMCE-ZDUSSCGKSA-N 318.381 -0.013 30 20 DBED N#Cc1ccc(NCCCNC(=O)CN2CC(=O)NC2=O)nc1 1094539170 JOCBFHJFAQJOQZ-UHFFFAOYSA-N 316.321 -0.577 30 20 DBED COc1ccc(C(=O)NCCCN=c2cc[nH]c(C#N)n2)nn1 1094564346 ULVUEFYUEANUFI-UHFFFAOYSA-N 313.321 -0.199 30 20 DBED CCN1CCOC[C@@H]1C(=O)NCCCNc1ccc(C#N)nn1 1094654480 NQMBXKMRURGZLY-CYBMUJFWSA-N 318.381 -0.013 30 20 DBED N#Cc1c[nH]ccc1=NCCCNC(=O)[C@@H]1CC[C@H]1C(N)=O 1094704230 XKIZNFUOWDAZKS-VXGBXAGGSA-N 301.350 -0.195 30 20 DBED Cc1nsc(NCCCNC(=O)[C@@H]2CNC(=O)N2)c1C#N 1094749452 BGGDDPUZTHCOBJ-VIFPVBQESA-N 308.367 -0.077 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)[C@@]3(C)CCCOC3)CC2=O)C1 1094803836 PLPWGVRIDGKSAX-GUYCJALGSA-N 319.405 -0.162 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCCN=c1cc[nH]c(C#N)n1 1094862354 CQKNNRQXHHPPTL-ZDUSSCGKSA-N 312.377 -0.214 30 20 DBED C[C@H](NC(N)=O)C(=O)NCCCN(C)c1cncc(C#N)n1 1095534207 DYZAMSVXWCILJN-VIFPVBQESA-N 305.342 -0.652 30 20 DBED CN(CCCNC(=O)c1nnn(C)n1)c1nccnc1C#N 1095698092 MSMNIGVQFOLUEB-UHFFFAOYSA-N 301.314 -0.872 30 20 DBED CNC(=O)CC(=O)N[C@H]1CCCN(c2nccnc2C#N)C1 1096161593 SAMCKHSEBIJGON-JTQLQIEISA-N 302.338 -0.431 30 20 DBED CNC(=O)NCCC(=O)N[C@H]1C[C@H](N=c2cc[nH]cc2C#N)C1 1097018569 RKBINLMVDFBIBW-HAQNSBGRSA-N 316.365 -0.247 30 20 DBED CNC(=O)CC(=O)NC[C@@H]1CCCCN1c1cncc(C#N)n1 1097421600 QSCCFNIGDAHTLL-LBPRGKRZSA-N 316.365 -0.041 30 20 DBED C#CCNC(=O)CN1CC(C)(C)CC[C@H]1CNC(=O)CC(N)=O 1098992626 DBWPJQVQAFXRPS-LBPRGKRZSA-N 322.409 -0.782 30 20 DBED C#CCN[C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1C(F)(F)F 1099208937 GLBLNVBAXPRSHV-RKDXNWHRSA-N 302.260 -0.715 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)c2cc[nH]c2C)[C@@H](O)C1 1099760466 JLBLHIDDSCRDAP-KGLIPLIRSA-N 318.377 -0.762 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2ncccc2O)[C@H](O)C1 1099783201 MICRPMCHPJDCGZ-TZMCWYRMSA-N 319.361 -0.398 30 20 DBED C#CCCCC(=O)N[C@H]1CCN(CC(=O)N2CCCC2)C[C@H]1O 1099803799 DCWHBIYDWHDTFR-LSDHHAIUSA-N 321.421 -0.036 30 20 DBED Cn1ccc(CN2CC[C@H](NC(=O)C#CC3CC3)[C@@H](O)C2)n1 1099827637 YDJWQGRPMXEZJN-GJZGRUSLSA-N 302.378 -0.115 30 20 DBED C=CCCN1CC[C@@H](NC(=O)C(=O)NCC(F)F)[C@H](O)C1 1099901922 QETOBOMZAUMDFE-NXEZZACHSA-N 305.325 -0.505 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)Cn2ccc(C)n2)[C@H](O)C1 1100005862 JAAHDKMSSFBMLE-LSDHHAIUSA-N 322.409 -0.054 30 20 DBED CN(CCNC(=O)CCc1nc[nH]n1)c1cnc(C#N)cn1 1100018414 WIIIMQNOEPLCNL-UHFFFAOYSA-N 300.326 -0.348 30 20 DBED CCN(CC)CC(=O)N[C@H]1CCN(CC#CCOC)C[C@H]1O 1100049283 ZWOYYEAPKNQCTR-LSDHHAIUSA-N 311.426 -0.471 30 20 DBED Cc1cc(C#N)nc(N(C)CCNC(=O)c2cn(C)nn2)n1 1100052402 PMDYKHBNFAXSAE-UHFFFAOYSA-N 300.326 -0.349 30 20 DBED CN(CCNC(=O)CCc1cnn(C)n1)c1nccnc1C#N 1100329029 HANZHXMBXCNVTK-UHFFFAOYSA-N 314.353 -0.338 30 20 DBED CN(CCNC(=O)CCc1cnn[nH]1)c1ccnc(C#N)n1 1100334806 UZBQYYZNIBOGLW-UHFFFAOYSA-N 300.326 -0.348 30 20 DBED CCN(CCNC(=O)Cc1n[nH]c(C)n1)c1ccc(C#N)nn1 1100524083 DIMUSQKVWWDDJI-UHFFFAOYSA-N 314.353 -0.040 30 20 DBED C[C@H](NC(N)=O)C(=O)NC[C@@H]1CCCN1c1cnc(C#N)cn1 1100824712 AMASWNQCKPDJIE-ONGXEEELSA-N 317.353 -0.510 30 20 DBED CN(CCNc1cncc(C#N)n1)C(=O)C(=O)NCC(F)F 1101852399 BRJOJUWYTHGCAV-UHFFFAOYSA-N 312.280 -0.400 30 20 DBED CC(=O)N[C@@H](C)C(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(C#N)n1 1102538089 KDEOQEGXSAHFSX-XDTLVQLUSA-N 314.349 -0.338 30 20 DBED CCC(=O)NCC(=O)N(C)[C@H]1CCN(c2nccnc2C#N)C1 1102702010 MIGFVOHFOKPKPC-NSHDSACASA-N 316.365 -0.088 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)C[C@H]1COC(=O)C1 1104527279 ZRSBCWVMDMJZNV-WDEREUQCSA-N 317.349 -0.018 30 20 DBED C[C@@H]1CN(C(=O)CNC(N)=O)CC[C@@H]1N=c1cc[nH]cc1C#N 1105029539 DGZOPGUUKMUENQ-PWSUYJOCSA-N 316.365 -0.308 30 20 DBED CCO[C@@H]1C[C@@H]1C(=O)N1CC(n2cc(CNCC#N)nn2)C1 1105172059 YSALDUZASJEIEY-QWHCGFSZSA-N 304.354 -0.300 30 20 DBED C#CCNCc1cn(C2CN(C(=O)C[C@@H]3CCC(=O)N3)C2)nn1 1105342492 HXTPPSNJPNQFDK-NSHDSACASA-N 316.365 -0.947 30 20 DBED N#Cc1cnc(NC[C@H]2CCC[C@H]2NC(=O)CC(N)=O)cn1 1105653208 YKBJLSTZRRJQIF-MWLCHTKSSA-N 302.338 -0.080 30 20 DBED CNC(=O)CC(=O)NC[C@H](O)CNc1cccc(F)c1C#N 1105799141 VOXKEJSYLPXNSP-SECBINFHSA-N 308.313 -0.278 30 20 DBED CCn1nccc1C(=O)NC[C@@H](O)CNc1nccnc1C#N 1105800745 ZEXTVOJCZFBPJS-JTQLQIEISA-N 315.337 -0.233 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)C[C@H]2CCC(=O)N2)nc1 1105894469 POFKSKNHXGBWOZ-NEPJUHHUSA-N 317.349 -0.489 30 20 DBED Cn1cncc1CC(=O)NC[C@@H](O)CNc1ncccc1C#N 1105914556 XSQLMNLLWDYZIW-CYBMUJFWSA-N 314.349 -0.182 30 20 DBED CCCN(C)CCC(=O)NC[C@H](O)CNc1nccnc1C#N 1105917249 GADOTABABXEJOX-LBPRGKRZSA-N 320.397 -0.031 30 20 DBED COCCO[C@H](C)C(=O)NC[C@@H](O)CN=c1cc[nH]cc1C#N 1105963257 OSLCWPASTSMWDQ-YPMHNXCESA-N 322.365 -0.684 30 20 DBED CN(C)[C@H](C(=O)NC[C@H](O)CNc1cncc(C#N)n1)C1CC1 1105995265 QUANZLGHNYQSIO-OCCSQVGLSA-N 318.381 -0.423 30 20 DBED N#Cc1c(F)cccc1NC[C@H](O)CNC(=O)[C@@H]1CCNC1=O 1106052305 XQVURARHMWMCKL-VHSXEESVSA-N 320.324 -0.278 30 20 DBED C#CCN1CC(n2cc(CNC(=O)[C@@H](CC)N(C)C)nn2)C1 1107181818 ITOOIYHPEFGIHO-CQSZACIVSA-N 304.398 -0.276 30 20 DBED C=CCOCC(=O)NC[C@@]1(C)CN(C[C@@H](O)COC)CCO1 1107812240 ZKQBSETUZALTNT-HIFRSBDPSA-N 316.398 -0.597 30 20 DBED C[C@@]1(CNC(=O)C#CC2CC2)CN(CC(=O)NCC#N)CCO1 1107931054 UTGRLBFDVXHOQV-MRXNPFEDSA-N 318.377 -0.753 30 20 DBED C[C@@]1(CNC(=O)[C@@H]2CCCCC(=O)N2)CN(CC#N)CCO1 1108207375 PGIMVOZYYJBPKH-SWLSCSKDSA-N 308.382 -0.224 30 20 DBED Cc1cc(C#N)nc(NC[C@H](C)NC(=O)[C@H](C)NC(N)=O)n1 1108322890 DRENNGWACKVZIK-IUCAKERBSA-N 305.342 -0.370 30 20 DBED CCO[C@@H](CC)C(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1 1108513782 RDHCXTNENVAOPP-YPMHNXCESA-N 308.382 -0.274 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)[C@H](C)CCOC)CC2=O)C1 1108591440 YERFRFRNFFZPJO-CHWSQXEVSA-N 307.394 -0.307 30 20 DBED CNC(=O)CC(=O)N1CCC[C@H]1CNc1cnc(C#N)cn1 1110539683 FGYVZVIHQWUXAJ-NSHDSACASA-N 302.338 -0.113 30 20 DBED C#CCNC(=O)CC(=O)N1CCN(Cc2ccccn2)CC1 1112774122 HTQAQDRIUMDPPG-UHFFFAOYSA-N 300.362 -0.135 30 20 DBED Cc1cc(CC(=O)N2CCN(CC(=O)NCC#N)CC2)n(C)n1 1113097555 IKBHGNWHCATZSU-UHFFFAOYSA-N 318.381 -0.945 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3cc(C)no3)[C@H]2C1 1113852299 JGOXLIKLCIQUHA-YABSGUDNSA-N 304.350 -0.055 30 20 DBED COCCOC[C@H](O)CN1C[C@H]2C(NC(=O)C#CC3CC3)[C@@H]2C1 1114255598 LMKLWBXAIGSCMT-RBSFLKMASA-N 322.405 -0.530 30 20 DBED C#CCCN1C[C@@H]2C(NC(=O)CN(C)CC(=O)NC(C)C)[C@H]2C1 1114521363 NXYUWBZPWZGVOI-KBPBESRZSA-N 320.437 -0.488 30 20 DBED C[C@H](NC(N)=O)C(=O)N[C@H]1C[C@H](CN=c2cc[nH]c(C#N)n2)C1 1114768014 IOPHDKMWSZPIBZ-GUBZILKMSA-N 317.353 -0.866 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3cc(Cl)no3)[C@H]2C1 1115150183 QOVBSVLHTXVEQS-IUCAKERBSA-N 322.752 -0.263 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)Cc3[nH]cnc3C)[C@H]2C1 1115169280 DMFWACLPBFHPJQ-RYUDHWBXSA-N 317.393 -0.391 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)[C@@H]3CCCC(=O)N3C)[C@H]2C1 1115182612 OSXKJYPMXUEIGT-KNCOVGOOSA-N 319.405 -0.307 30 20 DBED CC(=O)NCC(=O)N(C)[C@@H](CN=c1cc[nH]c(C#N)n1)C1CC1 1115482584 JLAMMJIEXPKNKE-LBPRGKRZSA-N 316.365 -0.445 30 20 DBED CCc1nc(C#N)cc(N[C@H](CO)CNC(=O)CCOC)n1 1120980174 RUHBHVIROFKSLE-NSHDSACASA-N 307.354 -0.164 30 20 DBED CCO[C@@H](C(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1)C1CC1 1122118455 CNQRQESQIYXSIH-BXUZGUMPSA-N 319.365 -0.526 30 20 DBED CN(C)CCCC(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1 1122416447 ISFWQZGQWVEJML-LLVKDONJSA-N 306.370 -0.999 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H](CO)Nc1cc(F)ncn1 1122768911 FJZCCFXDVHMODG-NEPJUHHUSA-N 321.356 -0.398 30 20 DBED CNC(=O)NCC(=O)NC[C@@H](CO)Nc1nc(C)ccc1C#N 1122784726 SBAUXPUDXSVJIL-NSHDSACASA-N 320.353 -0.920 30 20 DBED CC(=O)NCC(=O)N1C[C@H](Nc2cncc(C#N)n2)C[C@H]1C 1123120275 FDCUGODXZKROFU-MWLCHTKSSA-N 302.338 -0.114 30 20 DBED N#Cc1nccnc1NC[C@@H]1CC[C@H](NC(=O)CC(N)=O)C1 1123751158 GHRKXTYFOZRCBM-ZJUUUORDSA-N 302.338 -0.080 30 20 DBED N#Cc1cncc(NC[C@@H]2CC[C@@H](NC(=O)CC(N)=O)C2)n1 1123754264 UOLATPGCXFDXLV-NXEZZACHSA-N 302.338 -0.080 30 20 DBED CNC(=O)CC(=O)N1C[C@H](N=c2cc[nH]c(C#N)n2)C(C)(C)C1 1123933546 JCHSMPMSQBVFMU-JTQLQIEISA-N 316.365 -0.445 30 20 DBED CC(=O)NCC(=O)N(C)C[C@@H](O)CNc1ncc(C#N)cc1F 1124087024 WPKMSIQWDDMARL-NSHDSACASA-N 323.328 -0.540 30 20 DBED CN(C[C@@H](O)CNc1nccnc1C#N)C(=O)c1cnsn1 1124091470 RLMNLHCFUIRKTG-QMMMGPOBSA-N 319.350 -0.255 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)c1ccoc1 1124117866 ZFSIOYXIXPTWPI-LLVKDONJSA-N 301.306 -0.092 30 20 DBED C=CCCO[C@H](C)C(=O)NCCNCCN1C(=O)CNC1=O 1124495001 LNOIVFDXPIQNIR-LLVKDONJSA-N 312.370 -0.775 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)[C@H]1CCOC1 1124513569 AEMINICISPPETG-QWRGUYRKSA-N 312.370 -0.871 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)[C@H](CC)OC 1124565724 BLMQLQZVZOSSHU-JTQLQIEISA-N 300.359 -0.871 30 20 DBED C[C@@H](C#N)C(=O)N(C)C[C@H](O)CN(C)c1cnc(C#N)cn1 1124987700 CEJRBXPFWVIZJM-CMPLNLGQSA-N 302.338 -0.237 30 20 DBED C=CCOCC(=O)N(C)C[C@H](O)CN(C)c1nccc(OC)n1 1124988023 FVWDJHOXHLAKFF-LBPRGKRZSA-N 324.381 -0.057 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CCc2nnc(CNCCCO)n2CC1 1127963977 CSTPWSMJYPUKNK-NWDGAFQWSA-N 320.397 -0.269 30 20 DBED COCc1cncc(C(=O)NCCNCC(=O)NCC#N)c1 1129784177 XEXXJCAYTVWJLK-UHFFFAOYSA-N 305.338 -0.813 30 20 DBED COCC#CCNCCNC(=O)c1cnc2[nH]c(O)nc2c1 1130617484 ASGLWKYZXMTIPG-UHFFFAOYSA-N 303.322 -0.367 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)CN(C)C(C)=O 1133741414 NPPBSARFLJTXJX-NWDGAFQWSA-N 310.398 -0.913 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)c1cnnn1C 1134288406 HUWVENLWFIVJBW-WDEREUQCSA-N 306.370 -0.949 30 20 DBED C[C@H](C[C@@H](C)NC(=O)Cc1cnoc1)NCC(=O)NCC#N 1135261736 FAAJAYVLDLVSLF-GHMZBOCLSA-N 307.354 -0.270 30 20 DBED N#CCNC(=O)CN1CCC2(C1)CN(C(=O)Cc1ccoc1)C2 1147380929 CSASQCMPPROKTE-UHFFFAOYSA-N 316.361 -0.004 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)[C@H](C)CN2CCOCC2)C1 1150725840 WKUKJVUUOFVYGZ-HZPDHXFCSA-N 323.437 -0.205 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CCc2c[nH]nc2C1 1151730755 WEHRCKZDTRNNOF-NWDGAFQWSA-N 317.393 -0.642 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)[C@H]2CN(CC)CCO2)C1=O 1151740930 ZOFOBNUVTJYRSI-ZIAGYGMSSA-N 324.425 -0.800 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)COCCOCC)C1=O 1152502368 YCBWTHKGWNAUKW-ZDUSSCGKSA-N 313.398 -0.468 30 20 DBED CCN(CC#N)[C@H](C)CNC(=O)c1nc(O)nc(O)c1OC 1156353416 FZHNYZCVCKMTBP-MRVPVSSYSA-N 309.326 -0.140 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)C[C@@H]1COC(=O)C1 1156587159 VINKGAROLGZRAH-NEPJUHHUSA-N 311.382 -0.274 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1cnc(N(C)C)cn1 1158051457 ROSKGSPYRLGLAM-UHFFFAOYSA-N 318.381 -0.999 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@]1(C)C[C@H]2CC[C@H]1O2 1158138855 DZXNPOQOFLBVHS-XJKCOSOUSA-N 307.394 -0.211 30 20 DBED N#CCNC(=O)CNCCCNC(=O)[C@@H]1CCc2n[nH]cc2C1 1171045900 MFUWSMDVMBKBFN-LLVKDONJSA-N 318.381 -0.750 30 20 DBED C#CCNC(=O)CNCCCCCCNC(=O)[C@@H]1COC(=O)N1 1178372695 VHQDOMGTCNPSAF-LBPRGKRZSA-N 324.381 -0.890 30 20 DBED C=CCOCCN[C@H]1CCN(C(=O)Cn2cnnc2O)[C@H]1C 1178511740 DBMMIGCBUMHXRZ-RYUDHWBXSA-N 309.370 -0.235 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)CC2(OC)CCC2)C1 1182229901 WPKOENYYSQLIHT-CYBMUJFWSA-N 307.394 -0.115 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CN(Cc2cccc(C(N)=O)c2)C[C@H]1O 1191863544 GIBBOEMCLACCRM-ZLKJLUDKSA-N 316.361 -0.394 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)CCC2CC2)C1 1191936875 YNYITFBLIVOMDG-IACUBPJLSA-N 307.394 -0.524 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)c2cc[nH]c2C)C1 1192078210 CLATXQGZBUSEKG-MRVWCRGKSA-N 320.393 -0.211 30 20 DBED CC[C@H](SC)C(=O)N[C@@H]1CN(CC#CCOC)C[C@H]1O 1192263680 YJHUMFBJBDKNEU-UPJWGTAASA-N 300.424 -0.061 30 20 DBED C#CCCN(C)[C@H]1CCN(C(=O)COCc2nncn2C)C1 1193205323 ROVCCKLCGCJWAF-ZDUSSCGKSA-N 305.382 -0.112 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@@H]1CCN(C(=O)CCN(C)CC)C1 1193280250 VJBWZXFKRLATNP-HUUCEWRRSA-N 322.453 -0.001 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)CN2CCC(C)(C)C2)C1 1196184651 CFJYRBQBMJEZQC-HUUCEWRRSA-N 323.437 -0.471 30 20 DBED N#CCN1CCCN(C(=O)CNC(=O)c2cccnc2)CC1 1197226280 AHQOHEGOXLNGAV-UHFFFAOYSA-N 301.350 -0.131 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2[nH]cnc2CC)C1 1198261270 CCBJIQMEEHYLSR-VXGBXAGGSA-N 321.381 -0.951 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)CCn2cccn2)CC1 1199353816 RRMIQPYMJLNOHN-UHFFFAOYSA-N 317.393 -0.397 30 20 DBED C#CCNC(=O)[C@H](C)NC1CCN(C(=O)c2cn(C)cn2)CC1 1200070630 IPUDXEGEIPFMJD-LBPRGKRZSA-N 317.393 -0.248 30 20 DBED C#CCNC[C@H]1CN(C(=O)[C@H]2CCN(C(C)=O)C2)CCCO1 1201959596 VVOJAZGNTTWMAG-GJZGRUSLSA-N 307.394 -0.305 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1C[C@@H](NCCCO)C12CCC2 1202782135 FJVDHALKWAOEHF-CHWSQXEVSA-N 307.394 -0.475 30 20 DBED N#CCNC(=O)CN[C@H]1C[C@@H](NC(=O)c2cnco2)C12CCC2 1203231773 ULHJCQXJHGNUDB-NWDGAFQWSA-N 317.349 -0.055 30 20 DBED COCC#CCN1C[C@@H](NC(=O)CN2CCCC2=O)[C@H](C)C1 1205902309 OREDHFBQSHPSHI-ZIAGYGMSSA-N 307.394 -0.305 30 20 DBED C#CCCNCC1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)CC1 1206932044 MVJIEFFIYSDASO-CYBMUJFWSA-N 313.423 -0.470 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(CC(=O)N2CCC2)C[C@H]1C 1206963931 ROPNKJGZWCREOR-HZSPNIEDSA-N 307.394 -0.307 30 20 DBED N#CCSCC(=O)N1CCC[C@H](N[C@H]2CCC(=O)NC2=O)C1 1207410764 WLABCIVQQDQJPO-QWRGUYRKSA-N 324.406 -0.371 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@H]1CCCN(C(=O)Cn2cncn2)C1 1210974696 JKUXZYNGKSGKDY-OLZOCXBDSA-N 320.397 -0.451 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)C2=COCCC2)[C@H](OC)C1 1211997557 ZFEJHURMEMAWNC-ZIAGYGMSSA-N 323.393 -0.202 30 20 DBED C#CCN1C[C@@H](NC(=O)COCc2nc(CC)no2)[C@H](OC)C1 1213702772 VLZCFGLVFIABCJ-VXGBXAGGSA-N 322.365 -0.403 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1C 1215907856 RUXARUKUQVMZLI-ZYHUDNBSSA-N 306.370 -0.833 30 20 DBED N#CCSCC(=O)N1CCO[C@@H]2CN([C@@H]3CCNC3=O)C[C@@H]21 1217325709 ASQZZXFWUBAIBP-GRYCIOLGSA-N 324.406 -0.957 30 20 DBED C=CCOCCCC(=O)N[C@@H]1CN([C@@H]2CCNC2=O)C[C@@H]1O 1219426867 SDOMUZXPHKOBEO-UPJWGTAASA-N 311.382 -0.981 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)CC[C@H]2CCOC2)C1 1219450530 RGNQLADKRVPBAK-ZNMIVQPWSA-N 310.394 -0.386 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)c2nccs2)C1 1220597705 MOSQKTCBXJWQJZ-MXWKQRLJSA-N 322.390 -0.944 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2nnc(C)o2)C[C@@H]1O 1221143957 XZUQPSOGVPSLRZ-WCQGTBRESA-N 310.354 -0.370 30 20 DBED C=CCNC(=O)NC(=O)CN1CC[C@H]1CN(C)C(=O)C1CC1 1230532934 SLEOYBWHUDKTQT-LBPRGKRZSA-N 308.382 -0.059 30 20 DBED C[C@@H](C#N)C(=O)N(C)C[C@@H]1CCN1CCN1C(=O)CNC1=O 1231292084 AVPPRKPMPBLSBF-QWRGUYRKSA-N 307.354 -0.769 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C[C@@H]1CCN1Cc1ncnn1C 1234226945 VCJVRPYVLMKNPJ-OLZOCXBDSA-N 305.382 -0.114 30 20 DBED CS(=O)(=O)CCNC(=O)C(=O)N1CCC[C@@H](CC#N)C1 1261685845 WSSWNJSOVCBFCA-JTQLQIEISA-N 301.368 -0.701 30 20 DBED C=C(Cl)CN1CC[C@@H](NC(=O)CC[C@@H]2NC(=O)NC2=O)C1 1267755011 XJBQSSQDGUDPDU-ZJUUUORDSA-N 314.773 -0.082 30 20 DBED COC1(CNC(=O)C(=O)N2CCO[C@@H](C#N)C2)CCOCC1 1322981403 OSPZHOXQAOHBRH-NSHDSACASA-N 311.338 -0.951 30 20 DBED C[C@@H](NC(=O)C(=O)N1CCC(CC#N)CC1)[C@H]1CN(C)CCO1 1323568765 NIEQUXGRQJEWMA-TZMCWYRMSA-N 322.409 -0.026 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N[C@H]1CCN(C(C)C)C1=O 1324616366 URGKGZBEFVFBIL-ZDUSSCGKSA-N 303.362 -0.403 30 20 DBED C#CCNC(=O)C1CCN(C(=O)C(=O)NC2CC=CC2)CC1 1329763704 MBHZPEQUTRMZNJ-UHFFFAOYSA-N 303.362 -0.191 30 20 DBED COCC#CC(=O)N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1331185460 BXCQEUHTWSWCEX-GFCCVEGCSA-N 302.396 -0.234 30 20 DBED Cc1cc(NC(=O)C(=O)NCC2(CO)CC2)n(CCC#N)n1 1340843546 OUJNQJJPXVCWHE-UHFFFAOYSA-N 305.338 -0.068 30 20 DBED CN(CCS(C)(=O)=O)C(=O)C(=O)N1CCC[C@H](CC#N)C1 1350180058 ARUQOJWVUJUTIR-LLVKDONJSA-N 315.395 -0.358 30 20 DBED N#CCn1cc(NC(=O)CNS(=O)(=O)c2cccnc2)cn1 1361868187 KYHXLTDEZRGDRF-UHFFFAOYSA-N 320.334 -0.281 30 20 DBED CCOC(=O)[C@H](C)CNC(=O)CCn1cc(C#N)c(O)nc1=O 1362048099 NDMRTEYSTXNVLT-SECBINFHSA-N 322.321 -0.474 30 20 DBED N#Cc1cn(CC(=O)N[C@@H]2CCC[C@H]3OCC[C@@H]23)c(=O)nc1O 1362213266 CJDFICJDBDAWSU-QJPTWQEYSA-N 318.333 -0.106 30 20 DBED N#Cc1cc(C(=O)N2C[C@@H](C(N)=O)[C@H](C(N)=O)C2)ccc1F 1362707121 OKQYVPIHYSEYRF-NXEZZACHSA-N 304.281 -0.644 30 20 DBED CCN(CCC#N)S(=O)(=O)NC[C@H]1CCN(C(N)=O)C1 1364002195 RVJVNSNNAHNANR-SNVBAGLBSA-N 303.388 -0.543 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N1CC[C@H](c2nncn2C)C1 1365730552 QANLQQIBMIFMPH-QWRGUYRKSA-N 312.399 -0.059 30 20 DBED CCN(CCNC(=O)[C@H](C)C#N)C(=O)CS(=O)(=O)C(C)C 1373934997 ACRVOCLFRWMWJS-LLVKDONJSA-N 317.411 -0.066 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](C)CNCC(=O)Nc1nncs1 1373991476 VXGUQJBLSFQJPX-BDAKNGLRSA-N 310.383 -0.022 30 20 DBED COCCn1nccc1C(=O)N1CC(NC(=O)[C@H](C)C#N)C1 1387805500 GOLIPAHXFNSTBO-SNVBAGLBSA-N 305.338 -0.370 30 20 DBED CNC(=O)NCCC(=O)N1CC(NC(=O)c2cc(C#N)c[nH]2)C1 1389164812 GAICGBVGDURYES-UHFFFAOYSA-N 318.337 -0.854 30 20 DBED C[C@H](C#N)C(=O)NC1CN(C(=O)c2cc(C(N)=O)ccn2)C1 1389401443 IWRRRLJVSXRIEU-MRVPVSSYSA-N 301.306 -0.719 30 20 DBED COC[C@H](O)CN1CCN(CCN(C)C(=O)[C@H](C)C#N)CC1 1391331520 GSLAJSIPTYAXFU-ZIAGYGMSSA-N 312.414 -0.771 30 20 DBED CNC(=O)NCCC(=O)N1CCC(N(C)C(=O)[C@H](C)C#N)CC1 1395456217 PGFUNKFETDVJGT-LLVKDONJSA-N 323.397 -0.085 30 20 DBED COCCn1cc(C(=O)N[C@H](C)CNC(=O)[C@@H](C)C#N)cn1 1400047598 KESAYDFJFGEAJN-WDEREUQCSA-N 307.354 -0.076 30 20 DBED COc1ccc(C(=O)N(C)C[C@H](O)CNC(=O)[C@H](C)C#N)nn1 1405659722 WZTPBKSWDXVQGA-NXEZZACHSA-N 321.337 -0.806 30 20 DBED N#Cc1cn(CCNC(=O)CC[C@@H]2CCCO2)c(=O)nc1O 1413311966 RRSXIXHOCRQWEZ-NSHDSACASA-N 306.322 -0.104 30 20 DBED COCCN(CCNC(=O)c1cn(C)cn1)C(=O)[C@H](C)C#N 1426049986 YJDQUVPQIOSLQO-LLVKDONJSA-N 307.354 -0.215 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)CCS(C)(=O)=O)C1 1428218398 HGIYZUGYLKCOHX-GUBZILKMSA-N 301.368 -0.656 30 20 DBED CCn1cc(CC(=O)N(C)C[C@H](O)CNC(=O)[C@H](C)C#N)cn1 1428271718 LAWSOAZFJISNHJ-DGCLKSJQSA-N 321.381 -0.459 30 20 DBED C[C@H](C#N)C(=O)NCCN(C)C(=O)[C@H]1CCS(=O)(=O)C1 1431477367 CTQSWUFSTRCGCX-ZJUUUORDSA-N 301.368 -0.845 30 20 DBED CC(=O)N1CC[C@@](C)(C(=O)N2CC(NC(=O)[C@@H](C)C#N)C2)C1 1432342542 QUHVYKXZLYQVIH-ZUZCIYMTSA-N 306.366 -0.268 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)c2cccnc2)C1 1434326976 JSBNSTHWSOTSSU-ABAIWWIYSA-N 302.334 -0.066 30 20 DBED N#Cc1ccc(NCC(=O)N[C@H](CO)CC2OCCO2)nc1 1434344972 YBWPAKOCROAKJM-NSHDSACASA-N 306.322 -0.395 30 20 DBED CC(=O)N(C)CC(=O)NC[C@@H](O)CNCc1ccc(C#N)s1 1438972041 IMDVMIDOBNEXSF-NSHDSACASA-N 324.406 -0.335 30 20 DBED CC(=O)N(C)CC(=O)N1CC[C@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]21 1445453668 RYWDOPORMKMHKL-WCFLWFBJSA-N 306.366 -0.316 30 20 DBED Cc1nn(C)c(C)c1C(=O)NC[C@@H](O)CNC(=O)[C@@H](C)C#N 1452406327 WKLKOBSLNQFSCA-KWQFWETISA-N 307.354 -0.596 30 20 DBED COC[C@H](OC)C(=O)N1CC[C@H]1CNC(=O)c1cc(C#N)c[nH]1 1458682763 ZJTZQJQHTHFEHZ-AAEUAGOBSA-N 320.349 -0.122 30 20 DBED CN(CCNC(=O)C[C@@H]1CCC(=O)N1)c1nccnc1C#N 1478259059 ZVDYRAKAJGPSHQ-JTQLQIEISA-N 302.338 -0.431 30 20 DBED C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)N(C)CCN1CCNC1=O 1485286938 ADLGIKAJABPJCR-NSHDSACASA-N 318.381 -0.038 30 20 DBED CCN(CCC#N)C(=O)CN1CC(NC(=O)C2CCOCC2)C1 1494333547 NIWKKJWOYQSXPM-UHFFFAOYSA-N 322.409 -0.024 30 20 DBED C=CCN1CC[C@@H](NC[C@@H]2CCN(C(=O)CNC(=O)O)C2)C1=O 1573367867 CWGRCYWFIDDKKQ-NWDGAFQWSA-N 324.381 -0.521 30 20 DBED C=CCNC(=O)CN1CCC[C@@H](NC(=O)CNC(=O)O)[C@@H]1C 1573368028 GTIRHJXCEHILOT-WDEREUQCSA-N 312.370 -0.475 30 20 DBED CCS(=O)(=O)C[C@@H](C)Nc1cnc(-c2nn[nH]n2)c(C#N)n1 1578411289 KNCAFBLEWLRJKJ-SSDOTTSWSA-N 322.354 -0.237 30 20 DBED C#CCN(CC(=O)O)C(=O)c1c(C)oc2ncn(C)c(=O)c12 1588417524 SZJIYUWAOHAUKP-UHFFFAOYSA-N 303.274 -0.005 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CC[C@H]2C(=O)O)CC1 1588431377 XBPXICRMLSKJSC-QWHCGFSZSA-N 321.377 -0.619 30 20 DBED C=CCCC[C@@H](NC(=O)c1cn(CC(=O)O)nn1)C(=O)OC 1588458999 YUHZDKICQGMOOS-SECBINFHSA-N 310.310 -0.010 30 20 DBED C=CCS(=O)(=O)CCNC(=O)c1coc(-c2nn[nH]n2)c1 1588689098 YOPGVZHDNZYFMD-UHFFFAOYSA-N 311.323 -0.210 30 20 DBED CCCCOCCNC(=O)Cn1cnc(C#N)c1-c1nn[nH]n1 1590612734 NCJHATMWRMHVBB-UHFFFAOYSA-N 318.341 -0.132 30 20 DBED Cc1nc(-c2nn[nH]n2)c(C#N)n1CC(=O)N1CCO[C@H](C)C1 1592335128 LOADUCHXEIVELT-MRVPVSSYSA-N 316.325 -0.509 30 20 DBED Cc1nc(N2CCN(C(=O)[C@@](C)(C#N)CC(=O)O)CC2)n[nH]1 1594441762 SCRDGELKQAZLFG-CYBMUJFWSA-N 306.326 -0.234 30 20 DBED C=C[C@@H]1OCC[C@H]1NS(=O)(=O)c1ccc(-c2nn[nH]n2)cn1 1602887991 FIQWJDLQRRWGOO-ZJUUUORDSA-N 322.350 -0.117 30 20 DBED COC[C@H]1CN(c2cnc(C#N)c(-c3nn[nH]n3)n2)CCO1 1605073982 VOKDMCXJFJTMSH-MRVPVSSYSA-N 302.298 -0.620 30 20 DBED CN(CCNc1nccnc1C#N)c1nccnc1-c1nn[nH]n1 1609276123 JXMDQQLAMTWQOD-UHFFFAOYSA-N 323.324 -0.133 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)NC[C@H]1CCCS(=O)(=O)C1 1647189027 JFMGVJNEJKUPLP-GHMZBOCLSA-N 323.440 -0.263 30 20 DBED C=C(Br)Cn1nnnc1N1CCN(C)C(=O)C1 1650095693 DXEPALLEYZTIHV-UHFFFAOYSA-N 301.148 -0.140 30 20 DBED COCC#CCN1CCCC[C@H]1CNC(=O)Cc1nc[nH]n1 1752824342 VDTHCMRLUTTYTH-ZDUSSCGKSA-N 305.382 -0.032 30 20 DBED C=CCCC(=O)N[C@H](CNCC(=O)N1CCNC(=O)C1)C1CC1 1754435997 PMONVQNFXPBDSE-CYBMUJFWSA-N 322.409 -0.605 30 20 DBED Cc1sc(=O)n(CC(=O)NC[C@@]2(O)CCN(CC#N)C2)c1C 1754762567 SHVPYHVJGYVJPC-AWEZNQCLSA-N 324.406 -0.397 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(Cc2cnc(C)cn2)C1 1754767034 JPIQHIQHBGJZMS-UHFFFAOYSA-N 318.377 -0.512 30 20 DBED C#CCOCCC(=O)N1C[C@@H](C)[C@@H](CNCc2nc(O)n[nH]2)C1 1754815369 QVVRZDRQZPRJRZ-NEPJUHHUSA-N 321.381 -0.266 30 20 DBED CC#CCNC[C@H]1CN(C(=O)[C@@H](NC(N)=O)C(C)(C)C)CCO1 1755014160 DTYIWOCDEMEPTP-QWHCGFSZSA-N 324.425 -0.090 30 20 DBED C=CCNC(=O)CNCC1CC(NC(=O)[C@H](C)NC(C)=O)C1 1755206443 WBIYGJVQHLXAIV-PKSQDBQZSA-N 310.398 -0.702 30 20 DBED CN(C(=O)c1ccncn1)[C@@H](CNCC(=O)NCC#N)C1CC1 1755570180 WIOMSZBPJBCVNO-ZDUSSCGKSA-N 316.365 -0.443 30 20 DBED COCC#CCN[C@@H](CO)CNC(=O)CCc1ccncc1 1755640438 DQFAHHNVQIERKP-OAHLLOKOSA-N 305.378 -0.269 30 20 DBED C=CCNC(=O)CN[C@H]1C[C@H](C)N(C(=O)CN2CCCC2)C1 1755695327 YKRMOTXKGLERHW-KBPBESRZSA-N 308.426 -0.037 30 20 DBED C#CCNC(=O)CN1CCC[C@@H](NC(=O)c2cnn(C)n2)[C@@H]1C 1755720556 GGERJBSWPYBBIQ-NWDGAFQWSA-N 318.381 -0.853 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@H](O)CN(C)C(=O)c1cc(C)no1 1755773705 UZSPLTOYGHTRAI-RYUDHWBXSA-N 322.365 -0.857 30 20 DBED C=CC(C)(C)C(=O)NCC1[C@H]2CN(C(=O)CNC(=O)NC)C[C@H]12 1756206557 LWLLRMXYBFYXJD-VXGBXAGGSA-N 322.409 -0.052 30 20 DBED C=CCO[C@H](C)C(=O)NC[C@@H](O)CN(C)C(=O)c1ccncn1 1756676525 IYMBJXFWCCIIGR-VXGBXAGGSA-N 322.365 -0.383 30 20 DBED COCCC1(C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2O)CC1 1757003987 QUVSTPQYPPINGZ-ZIAGYGMSSA-N 320.389 -0.096 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@H](NC(=O)CCc2cnc[nH]2)C1 1757184662 WADBHRIGKFSXQK-KGLIPLIRSA-N 318.377 -0.310 30 20 DBED C=CCCCC(=O)N[C@@H]1CN(C(=O)c2cnn(C)c2N)C[C@@H]1O 1757204992 GAGNKVWVZINTCQ-NEPJUHHUSA-N 321.381 -0.340 30 20 DBED C=C(C)CCC(=O)N1CC[C@H](NC(=O)Cn2cnnn2)[C@H](O)C1 1757559300 KYOVLAASCLREAU-NWDGAFQWSA-N 322.369 -0.893 30 20 DBED C=C(Cl)Cn1nnnc1N1CCC(C(=O)NCCO)CC1 1771995545 YZDOQNIHZVTVJQ-UHFFFAOYSA-N 314.777 -0.250 30 20 DBED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3cnc(O)[nH]3)C2)C1 1779646071 WAHZVNDFUGSVJO-AWEZNQCLSA-N 304.306 -0.808 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)N(C)C(C)=O)CCO2 1783048709 HBGXSKYDMXRIKD-MLGOLLRUSA-N 321.377 -0.684 30 20 DBED CC[C@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)S)C2)C1 1783889028 OSEWSIZLDUJTTQ-UHIISALHSA-N 316.423 -0.095 30 20 DBED C=CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CCC(=O)N1)CCO2 1783914198 LUEOOIXQTNBRNF-MLGOLLRUSA-N 321.377 -0.329 30 20 DBED CC(C)(C#N)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CNC(N)=O)C2 1792707334 HXAVWHOWKCQMIV-JGPRNRPPSA-N 321.381 -0.157 30 20 DBED CN(C)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)C#N)C2 1795179139 FSHIFWWAWLOAOF-DABQJJPHSA-N 322.409 -0.313 30 20 DBED N#CCCC(=O)N1CC2(CCCN2C(=O)[C@@H]2CNC(=O)C2)C1 1845997617 ZFKZHYWXGYCXST-NSHDSACASA-N 304.350 -0.370 30 20 DBED N#CCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc(=O)n1O 1848344177 TVTOHCOGZMQIII-QWRGUYRKSA-N 316.317 -0.185 30 20 DBED C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCN(CC(N)=O)CC1 54978123 DWVUFOWTOBLHEM-CYBMUJFWSA-N 321.425 -0.180 30 20 DBED COc1ccc(C#N)cc1CN1CCN2C(=O)C(=O)NC[C@@H]2C1 157132035 LWZDPNXVSKDKJZ-CYBMUJFWSA-N 314.345 -0.291 30 20 DBED C[C@@]1(C2CC2)NC(=O)N(CC(=O)N2CCO[C@H](C#N)C2)C1=O 264529773 ZSYJNFQFAUFNTK-YGRLFVJLSA-N 306.322 -0.542 30 20 DBED C[C@@H](C(=O)N(C)CCC#N)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 266193657 XNFAZYWRWAYMSF-MTVMDMGHSA-N 305.334 -0.091 30 20 DBED C=CCn1nnnc1SCCNS(=O)(=O)CCCOC 267017508 IITWWGGBNTVNSX-UHFFFAOYSA-N 321.428 -0.093 30 20 DBED COC[C@](C)(C#N)NC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 269508699 CGFLHIURVQEPDZ-SFTUUXBHSA-N 317.345 -0.162 30 20 DBED N#CC1(CS(=O)(=O)NCCN2C[C@@H](C(=O)O)CC2=O)CC1 275026182 SPMVHYKYIWNMME-VIFPVBQESA-N 315.351 -0.857 30 20 DBED C=CCCS(=O)(=O)N1CC[C@@H](N2C[C@@H](C(=O)O)CC2=O)C1 275125448 OOTZSIJGAJHVQT-WDEREUQCSA-N 316.379 -0.100 30 20 DBED C#CCN(CC#N)CC(=O)NCc1ccc(OCC(N)=O)cc1 281427487 QVEGGGKOZNYPAH-UHFFFAOYSA-N 314.345 -0.374 30 20 DBED CCOC(=O)N1CCC(N/C(N)=N/CCCOCCO)CC1 305821646 BKVUDRXEDHDZQM-UHFFFAOYSA-N 316.402 -0.089 30 20 DBED Cn1cc(N2CC[C@@H](/N=C(/O)Cn3ncn(C)c3=O)C2=O)cn1 329088057 HSILYTSJJDTFEC-SNVBAGLBSA-N 319.325 -0.923 30 20 DBED CN1C[C@@H](/N=C(/O)N2CCc3c(ncn(C)c3=O)C2)CC1=O 330115646 UHGKLTGSLBEUMD-VIFPVBQESA-N 305.338 -0.717 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)NC[C@@H](C)N1CCOCC1 330405073 DUBZPEFCYDFBDE-NWDGAFQWSA-N 304.416 -0.225 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@@H]1CCN(C2CC2)C1 336931402 ZYNMPOASZPINQI-GFCCVEGCSA-N 316.427 -0.080 30 20 DBED C=C[C@@H](C)NC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 340823937 SDYNDQRWEMBFET-SNVBAGLBSA-N 317.349 -0.353 30 20 DBED Cc1ccc(C(=O)N[C@@H](C)C(N)=O)cc1S(=O)(=O)NCC#N 342775950 GBNGEJJLGKFOKY-VIFPVBQESA-N 324.362 -0.600 30 20 DBED CCC(CC)[C@@H](C(=O)NCC(=O)NCC#N)N1CCOCC1 343499395 CXUGIAHLQPWIDX-AWEZNQCLSA-N 310.398 -0.121 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@H]3CCN[C@H]3C2)C1=O 372879021 OQRGYSJBJIVUCI-MNOVXSKESA-N 320.349 -0.826 30 20 DBED C=CCN(CCC#N)CC(=O)N1CCN(CC(=O)N(C)C)CC1 428861952 LZTGCDPYAKGLTR-UHFFFAOYSA-N 321.425 -0.380 30 20 DBED Cc1oc(C#N)cc1C(=O)NCC(=O)NCCN1CCOCC1 435460008 WKZVTXONQWDDKL-UHFFFAOYSA-N 320.349 -0.362 30 20 DBED C=C[C@@H]1OCCC[C@H]1NC(=O)CNS(=O)(=O)CCCOC 456264510 NRKKFIKYNIWCHY-NEPJUHHUSA-N 320.411 -0.208 30 20 DBED C#CCNC(=O)CN1CCN([C@H](C)C(=O)NCC(C)C)CC1 491625063 KCFBVIHNUGFLSL-CQSZACIVSA-N 308.426 -0.486 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N1CCN(C(=O)C2CC2)CC1 548758166 AHZCHFSMCGRJKQ-LLVKDONJSA-N 314.411 -0.123 30 20 DBED COCCN([C@@H](C)C(=O)O)S(=O)(=O)N(C)C[C@@H](C)C#N 573254855 AWFILQWUHXAVTA-UWVGGRQHSA-N 307.372 -0.256 30 20 DBED COCCN(CCC#N)S(=O)(=O)N(C)[C@H](COC)C(=O)O 577066592 IKISLSWUYQGZCJ-SNVBAGLBSA-N 323.371 -0.875 30 20 DBED Cc1cc(NC(=O)C(=O)N2CC[C@@](C)(C(N)=O)C2)ncc1C#N 577767360 ZVUQNERQBHXAGJ-OAHLLOKOSA-N 315.333 -0.076 30 20 DBED C=CCC[C@@H](NC(=O)Cn1nc(C)n(C)c1=O)C(=O)OCC 594368787 FXYQALKPVCRKNO-LLVKDONJSA-N 310.354 -0.096 30 20 DBED CC1(N)CCN(C(=O)C(=O)N2CCN(CCC#N)CC2)CC1 601584181 SPFIYZOWSYLMFE-UHFFFAOYSA-N 307.398 -0.616 30 20 DBED Cc1cc(O)cc(=O)n1CC(=O)N1CCN(CCC#N)CC1 602207668 KKKOVBKALCXGBB-UHFFFAOYSA-N 304.350 -0.080 30 20 DBED Cn1cncc1C(=O)NCC#CCNC(=O)c1cncn1C 685463026 CIUHGIVOPUBAGD-UHFFFAOYSA-N 300.322 -0.683 30 20 DBED C#CCN(CC(=O)O)C(=O)NCC1(S(=O)(=O)CC)CC1 693532411 CBSCETSLIBRHOZ-UHFFFAOYSA-N 302.352 -0.317 30 20 DBED C=CCS(=O)(=O)CCNC(=O)CNC(=O)c1ccncc1 753467149 LGYQKGPFRHAVOT-UHFFFAOYSA-N 311.363 -0.472 30 20 DBED C#C[C@@H](NC(=O)C(=O)Nc1cncnc1OC)[C@@H]1CCCO1 773784691 CKYMXXMHHADOFG-KOLCDFICSA-N 304.306 -0.279 30 20 DBED C#CCOCCNC(=O)CCCS(=O)(=O)N1CCCC1 784592288 DGNCRCJGRRGBLD-UHFFFAOYSA-N 302.396 -0.042 30 20 DBED N#Cc1cnc(C(=O)NC[C@@H]2CC(C(N)=O)=NO2)c(Cl)c1 793906519 ZIRSIPTYIGCWLH-ZETCQYMHSA-N 307.697 -0.033 30 20 DBED CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NCC1(CC#N)CC1 797563657 VMZZGFKIQUENOF-LBPRGKRZSA-N 306.366 -0.076 30 20 DBED C#CCC[C@H](O)CNC(=O)C1CCN(S(=O)(=O)CC)CC1 799080936 OPMBDENNRRDFCP-ZDUSSCGKSA-N 316.423 -0.061 30 20 DBED C#CCONC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O 812784484 QQUXOWXCKFOGNL-UHFFFAOYSA-N 313.313 -0.261 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2cccc(CO)c2)CC1 813439412 SGXCNFWQVMCMLS-UHFFFAOYSA-N 315.373 -0.314 30 20 DBED CCN1C[C@@H](NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)CC1=O 836613160 ZHJDKBUCJLUDEK-WCQYABFASA-N 305.382 -0.011 30 20 DBED C#C[C@H](NC(=O)N1CCC[C@@H](C(=O)NCCN)C1)[C@@H]1CCCO1 841881762 UOEUYFYBUDMHFD-RDBSUJKOSA-N 322.409 -0.336 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCC[C@H](C)[C@H]1CN)[C@@H]1CCCO1 842164379 VUABYODCFDTWLU-FQUUOJAGSA-N 307.394 -0.131 30 20 DBED C=CCN(C(=O)CO[C@H]1CCCNC1)[C@@H]1CCS(=O)(=O)C1 843397890 SNKOXUGIJIAFTP-OLZOCXBDSA-N 316.423 -0.043 30 20 DBED C=C(C)CN(CC)C(=O)COC(=O)C1(S(N)(=O)=O)CC1 845203594 KEGRKTMMRXONMK-UHFFFAOYSA-N 304.368 -0.225 30 20 DBED CCN1C[C@H](CN/C(=N/C)NCCN2CCOCC2)CC1=O 849050009 WRJCUCAFJUOXQE-ZDUSSCGKSA-N 311.430 -0.648 30 20 DBED CC(=O)N1CC[C@@H](NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1 856918756 OXGVFLDVNNRYHX-TZMCWYRMSA-N 305.382 -0.011 30 20 DBED C#CCN1CCN(C(=O)CN2C[C@@](C)(CO)[C@@](C)(CO)C2)CC1 859822535 RQUZVLMRDQWPRN-CALCHBBNSA-N 323.437 -0.923 30 20 DBED C#CC[C@H](CCOC)NC(=O)N1CC(NS(C)(=O)=O)C1 875914805 ZVRKUUSZEWTVLO-SNVBAGLBSA-N 303.384 -0.642 30 20 DBED C#CC[C@@H](CO)NS(=O)(=O)c1cnn(C)c1Br 882339232 BFEBKELWRBSGNY-ZETCQYMHSA-N 322.184 -0.155 30 20 DBED N#C[C@@H]1CN(C(=O)NC[C@H]2CNCCCO2)CCN1C1CC1 892167150 CCYXSCCXGKVEGK-ZIAGYGMSSA-N 307.398 -0.253 30 20 DBED C=CCC[C@H](O)CN1CC(S(=O)(=O)N2CCNCC2)C1 923436811 LQPJFFVLUXKBOW-LBPRGKRZSA-N 303.428 -0.767 30 20 DBED O=C(NCC#CCO)NCC(=O)N1CCc2ccccc2C1 923782047 HMFLUWYYFOLLDL-UHFFFAOYSA-N 301.346 -0.134 30 20 DBED C#Cc1cncc(C(=O)N2CC[C@@H](NC(=O)Cn3nccn3)C2)c1 940659561 CAYZHVBXXRGPCK-CQSZACIVSA-N 324.344 -0.315 30 20 DBED Cc1ccnc(C(=O)NC[C@@H]2CN(C(=O)[C@H](C)C#N)CCO2)n1 944567579 GZOIMVHQYVVZDZ-ZYHUDNBSSA-N 317.349 -0.098 30 20 DBED CCn1nncc1C(=O)NC[C@H]1CN(C(=O)[C@@H](C)C#N)CCO1 944577227 CBYONVJFAJMWBW-QWRGUYRKSA-N 320.353 -0.585 30 20 DBED O=C(NC[C@@H]1CN(C(=O)C#CC2CC2)CCO1)c1ccncn1 944733269 JNWDLDDRBWEOHE-CYBMUJFWSA-N 314.345 -0.153 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@@H]3CN(C(=O)C(N)=O)CC[C@@H]32)[nH]1 946025033 LYLGCVJVRXAULC-SKDRFNHKSA-N 315.333 -0.565 30 20 DBED C#CCN1C[C@H]2CCN(C(=O)Cn3ncn(C)c3=O)CC[C@H]2C1 946653952 OIBUUCVGQKXSFI-OKILXGFUSA-N 317.393 -0.615 30 20 DBED CN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)[C@H]1CCCN(CC#N)CC1 948775342 GHKZGFVJTWDOJK-RWMBFGLXSA-N 308.382 -0.144 30 20 DBED C=CCN1CC[C@@H](N2CCN(C(=O)c3nonc3C)CC2)C1=O 957912585 SZZXQQHPPAKZOA-GFCCVEGCSA-N 319.365 -0.077 30 20 DBED N#CCN1C[C@H]2C(NC(=O)[C@H]3COCCN3CC(F)F)[C@@H]2C1 961374064 RHFQSWFYPSSLHI-GMTAPVOTSA-N 314.336 -0.478 30 20 DBED Cc1cc(C)n(CC(=O)NC2[C@H]3CN(CC#N)C[C@H]23)c(=O)n1 962154695 KCXYCUYEGGMVBQ-RYUDHWBXSA-N 301.350 -0.570 30 20 DBED O=C(NC[C@@H]1COCCN1C(=O)C#CC1CC1)c1ccnnc1 964373605 HTQATOSFYXYWKV-CQSZACIVSA-N 314.345 -0.153 30 20 DBED C[C@@H]1CN(C(=O)CC(N)=O)C[C@@H]1NC(=O)c1ccc(C#N)[nH]1 966250501 QMFMQSOUCPACRD-KCJUWKMLSA-N 303.322 -0.662 30 20 DBED CCN(C(=O)c1nnc(O)nc1O)C1CN(C(=O)[C@H](C)C#N)C1 968172222 VIEYTBZFTQLJKZ-SSDOTTSWSA-N 320.309 -0.885 30 20 DBED Cc1n[nH]c(C)c1C(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1O 969703701 OSFZCZMDVHKJPX-XROYCOCOSA-N 305.338 -0.512 30 20 DBED C=C(C)CN[C@@H]1CCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)C1 970164936 NCYRSYCHQGIQMO-SNVBAGLBSA-N 308.338 -0.826 30 20 DBED COCCn1cc(C(=O)N2C[C@H]3CC[C@H]2CN3CC#N)nn1 971366087 PAHWJILHZOAFLD-NEPJUHHUSA-N 304.354 -0.263 30 20 DBED C#CCN[C@@H]1CCC[C@H](NC(=O)Cn2ccc(O)nc2=O)C1 981205313 GLBZASSOGZLPSP-NEPJUHHUSA-N 304.350 -0.401 30 20 DBED Cn1c(O)ncc(C(=O)N[C@@H]2CCC[C@H](NCC#N)C2)c1=O 981267822 IFIDJEYCEXPSEB-VHSXEESVSA-N 305.338 -0.360 30 20 DBED C=C(C)CN[C@H]1CCC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C1 981541362 KFRUICCVMQKPMM-NWDGAFQWSA-N 320.397 -0.030 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C1 994754404 LIUAFQIQBDNESN-LJISPDSOSA-N 317.389 -0.697 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)nc1 997093629 QDGLTWDKFNWTDX-NEPJUHHUSA-N 312.329 -0.875 30 20 DBED C[C@H](C#N)C(=O)N1CC(NC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 997638667 AQBQSYNWCKPPRE-RSLMWUCJSA-N 307.350 -0.475 30 20 DBED C#CCN1CC[C@H](n2cc(CNC(=O)c3cnn(C)c3)nn2)C1 999968427 RYTSUDFZLZCZIN-AWEZNQCLSA-N 313.365 -0.178 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)c2cn(C)cn2)C1 1000006806 ZWOGIVLDDNRITA-YPMHNXCESA-N 304.350 -0.048 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@H]1CN2C(=O)Cc1nc[nH]n1 1007499383 USXDOXDNAADHCI-AXFHLTTASA-N 302.338 -0.291 30 20 DBED CO[C@@H](C(=O)N1CCN(C(=O)[C@H](C)C#N)CC1)c1cnn(C)c1 1011684473 OHQYQOGNJZAPLA-DGCLKSJQSA-N 319.365 -0.062 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(C(=O)c2nnn(C)n2)CC1 1012056072 OVXCVPZERCQUBH-MNOVXSKESA-N 320.353 -0.914 30 20 DBED C#Cc1cccc(NC(=O)CN2CC[C@@H](NC(=O)C(N)=O)C2)c1 1015639377 CPRFVGOLZIDJMJ-CYBMUJFWSA-N 314.345 -0.718 30 20 DBED C[C@H](C#N)C(=O)N1CCC2(C1)CN(C(=O)[C@H]1CCCC(=O)N1)C2 1019118518 UIZXJXLGCHUXFL-VXGBXAGGSA-N 318.377 -0.124 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCN(C(=O)[C@@H]3CCNC(=O)C3)C2)C1 1019362682 BWAPTSHRNIQPJA-VXGBXAGGSA-N 318.377 -0.267 30 20 DBED COCc1nc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2O)co1 1025414185 HRISLIOAPSABNF-FXPVBKGRSA-N 322.321 -0.718 30 20 DBED C[C@@H](C(N)=O)N1CCO[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 1035325082 AYQZEBCPFNZURB-ONGXEEELSA-N 305.338 -0.809 30 20 DBED C=C(C)CN1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1cnc(O)n(C)c1=O 1037538020 FTPGOVUBQQQJCE-ADEWGFFLSA-N 304.350 -0.136 30 20 DBED CC#CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)CN1CCC(=O)NC1=O 1037668669 VTYVZKJDQVOAIN-SUNKGSAMSA-N 304.350 -0.860 30 20 DBED Cn1cnn(CC(=O)N2CC[C@]3(CCCN(CC#N)C3)C2)c1=O 1040271966 WAFUNZNFYWUNSU-HNNXBMFYSA-N 318.381 -0.580 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(O)(CNC(=O)c2ccc[nH]2)C1 1041440240 LFOSRGBLRLLWSM-AWEZNQCLSA-N 307.350 -0.355 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)CCn2cccn2)C1 1041540107 NXOYZSIJLFOXOQ-LLVKDONJSA-N 305.338 -0.878 30 20 DBED N#Cc1cnc(N[C@@H]2C[C@H](NC(=O)C(N)=O)C23CCC3)cn1 1041612137 QPCYYFDRWPUTDQ-ZJUUUORDSA-N 300.322 -0.327 30 20 DBED C#CCCN1CC[C@H]2CCN(C(=O)C3CS(=O)(=O)C3)C[C@H]21 1042075553 DGCCTDUOUHXPLA-GXTWGEPZSA-N 310.419 -0.023 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)CN(C)C(C)C)C1 1042805687 RXMWKYZPFINUNQ-UHFFFAOYSA-N 309.410 -0.180 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(O)CN(C(=O)c2cn(C)cn2)C1 1042806803 KBDPQNVQUBFHFM-AWEZNQCLSA-N 322.365 -0.950 30 20 DBED CCN(CC)CC(=O)N1CC(O)(CNC(=O)C#CC(C)C)C1 1042938607 ZYHZHZQTZUKTHQ-UHFFFAOYSA-N 309.410 -0.323 30 20 DBED Cc1nc(C(=O)N2CC(O)(CNC(=O)C#CC3CC3)C2)co1 1042957982 CRAUGDJBVJLSHA-UHFFFAOYSA-N 303.318 -0.300 30 20 DBED CO[C@H](C)CCC(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042958242 HTQLIKMPOZHOCN-GFCCVEGCSA-N 308.378 -0.096 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)c2ccn(C)n2)C1 1043125682 LAGGSLUMPMNVKU-UHFFFAOYSA-N 306.366 -0.065 30 20 DBED C=CCCOCC(=O)NCC1(O)CN(C(=O)c2conc2C)C1 1043564599 HIYLPCWLWWOXHD-UHFFFAOYSA-N 323.349 -0.121 30 20 DBED Cc1nc[nH]c1C(=O)NCC1(O)CN(C(=O)CSCC#N)C1 1043825513 DMTPBVAKFLNORM-UHFFFAOYSA-N 323.378 -0.722 30 20 DBED C=C[C@@](C)(CC)C(=O)N1CC(O)(CNC(=O)c2nc[nH]n2)C1 1044781427 AZOUVWZBGMDLJY-ZDUSSCGKSA-N 307.354 -0.290 30 20 DBED C=CCCCC(=O)N1CC(O)(CNC(=O)[C@H]2CCC(=O)N2C)C1 1045117061 VDZQOGKIZZSDDW-GFCCVEGCSA-N 323.393 -0.347 30 20 DBED CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N[C@@]2(C)CCN(CC#N)C2)O1 1046619673 YGHMIXPEYWAPJO-XUJVJEKNSA-N 308.382 -0.274 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)c2nnn(C(C)(C)C)n2)C1 1047389486 ZIUVSYWTMOWAOL-QWRGUYRKSA-N 308.386 -0.269 30 20 DBED C=C(C)CN1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CCN(C)C2=O)C1 1047417072 MFKUNGOFNJYQGE-IHRRRGAJSA-N 309.410 -0.066 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cn(C)nc2COC)C1 1047432973 QOTUKBWTGBWFLF-KBPBESRZSA-N 306.366 -0.683 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2c(O)nnc(C)c2C)C1 1047481700 FVBSPPAZOWBYKK-STQMWFEESA-N 318.377 -0.061 30 20 DBED C=CCCOCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cnon2)C1 1049295966 HEKGXBZCFSOVDM-RYUDHWBXSA-N 324.337 -0.694 30 20 DBED Cc1cnn(CC(=O)N2C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)C#N)C2)c1 1049389249 VTABOJLMNOCXNM-AVGNSLFASA-N 319.365 -0.619 30 20 DBED C=CCCOCC(=O)N[C@@H](C)[C@@H]1CCN(C(=O)CC(N)=O)C1 1050350303 PJGYBGGBBAAUCR-NWDGAFQWSA-N 311.382 -0.192 30 20 DBED C#CCN1CC2(C1)CN(C(=O)[C@@H]1CCCN(C(C)=O)C1)CCO2 1053331865 BBTNAMVZPNSRDK-OAHLLOKOSA-N 319.405 -0.209 30 20 DBED C=C(C)CN1CC2(C1)CN(C(=O)C[C@@H]1CC(=O)NC1=O)CCO2 1053552237 OHLILMJTFZWRRR-LBPRGKRZSA-N 321.377 -0.472 30 20 DBED C[C@@H]1CN(C)C[C@H](C(=O)NC[C@H]2CCC3(CN(CC#N)C3)O2)O1 1053618301 UWDUANPQUNNMJT-MGPQQGTHSA-N 322.409 -0.421 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC2(CN(CC(N)=O)C2)O1 1053663099 GGLZGZPZBOGCPM-XQQFMLRXSA-N 323.393 -0.588 30 20 DBED Cn1cnc(C(=O)N[C@H]2[C@@H]3CN(c4nccnc4C#N)C[C@@H]32)c1 1056187152 QKDOYJQMXMWCPZ-IWIIMEHWSA-N 309.333 -0.054 30 20 DBED CCn1cc(C(=O)NC2[C@H]3CN(c4cncc(C#N)n4)C[C@H]23)nn1 1056282365 KGOVSVDJGYOOCC-QWRGUYRKSA-N 324.348 -0.176 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC[C@H]2CN(C(=O)CC(N)=O)C[C@H]21 1056667466 IQFNPWXHTPGTNJ-FRRDWIJNSA-N 321.377 -0.651 30 20 DBED COCCC(=O)N(CCO)CCNC(=O)CSCC#N 1056731513 ZFULPHKFQLIDBS-UHFFFAOYSA-N 303.384 -0.783 30 20 DBED Cc1ocnc1C(=O)N(CCO)CCNC(=O)C#CC1CC1 1057128856 JRQVLXLIVHEMEB-UHFFFAOYSA-N 305.334 -0.053 30 20 DBED N#Cc1nccc(N2CCCN(C(=O)[C@@H]3CNC(=O)N3)CC2)n1 1057216445 TYQHRFDHAMJDGM-JTQLQIEISA-N 315.337 -0.932 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)[C@@H](C)n1cncn1 1057383329 MNSUAJNIXTXBCA-GFCCVEGCSA-N 309.370 -0.258 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)C1(NC(N)=O)CC1 1057383379 ODBDDTMIXGWEHJ-UHFFFAOYSA-N 312.370 -0.909 30 20 DBED N#Cc1ccc(C(=O)NCCN(CCO)C(=O)c2ncc[nH]2)[nH]1 1057519450 VSWIWJVGWWJAJD-UHFFFAOYSA-N 316.321 -0.526 30 20 DBED C=C(C)C[C@@H](C)C(=O)NCCN(CCO)C(=O)c1cnn[nH]1 1058060027 IOLQDKYYVGFSNN-LLVKDONJSA-N 309.370 -0.042 30 20 DBED CN1CC[C@H](C(=O)N[C@@H]2CCN(c3ccc(C#N)nn3)C2)C1 1058373250 DGKOBQWBVAUOIH-WCQYABFASA-N 300.366 -0.005 30 20 DBED C[C@@]1(C(=O)N[C@@H]2CCN(c3nccnc3C#N)C2)CCNC1=O 1058541689 RAFPDTSRYVSLPJ-MEBBXXQBSA-N 314.349 -0.431 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)c1cc(C(N)=O)co1 1058656793 KLIAZQGRMPFHCK-VIFPVBQESA-N 322.321 -0.911 30 20 DBED N#CCSCC(=O)NCCN(CCO)C(=O)C1(CF)CC1 1058778796 NGULHJOQBJUVDF-UHFFFAOYSA-N 317.386 -0.070 30 20 DBED CN1C[C@H](C(=O)N2CC[C@H](Nc3ccc(C#N)nn3)C2)NC1=O 1059023125 NNLDQRQISJKCIL-WDEREUQCSA-N 315.337 -0.615 30 20 DBED C#CCO[C@@H](C)C(=O)NCC[C@@H]1CCN(C(=O)CC(N)=O)C1 1059380408 CWQVUKKKRNPNGN-NWDGAFQWSA-N 309.366 -0.745 30 20 DBED Cn1ccc(CC(=O)N[C@H]2C[C@@H](N=c3cc[nH]c(C#N)n3)C2)n1 1059632232 YUMNGFZKSNSZSD-TXEJJXNPSA-N 311.349 -0.195 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](CCNC(=O)c2cnn(C)n2)C1 1060289855 TVJGOYCPFXFSQA-GHMZBOCLSA-N 304.354 -0.057 30 20 DBED C=CCCC(=O)N1CCOC[C@@H]1CNC(=O)c1ncn(C)n1 1061552242 GRUGQUCTBQKVDY-NSHDSACASA-N 307.354 -0.262 30 20 DBED C=C(C)CCC(=O)NC[C@H]1COCCN1C(=O)[C@H]1CCC(=O)N1 1061629182 NZTYUBPCVVTQPZ-QWHCGFSZSA-N 323.393 -0.035 30 20 DBED C=CCCCC(=O)N1CCOC[C@H]1CNC(=O)C1(C(N)=O)CC1 1061838855 QANFJSCUGGFDGV-GFCCVEGCSA-N 323.393 -0.048 30 20 DBED C=CCOCC(=O)NC[C@H]1CCCCN1C(=O)Cn1cnnn1 1061997818 HZODCGVTOUGRHS-GFCCVEGCSA-N 322.369 -0.627 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(NC(=O)c2cnnn2C)CCC1 1062869791 LGPQNFVQHUKSHU-AWEZNQCLSA-N 321.381 -0.089 30 20 DBED N#Cc1ccc(NC[C@H]2CCCN2C(=O)[C@@H]2COC(=O)N2)nn1 1063478688 HTWPLWQELJISAF-MNOVXSKESA-N 316.321 -0.140 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)CCn2cnnn2)CCC1 1064306705 OBEKDCBCRLKLPS-SNVBAGLBSA-N 305.342 -0.622 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)c2cn(C)c(=O)cn2)CCC1 1064307028 WMJIINFNCQCYOY-SNVBAGLBSA-N 317.349 -0.291 30 20 DBED O=C(Cc1nc[nH]n1)NC[C@@H]1CN(C(=O)C#CC2CC2)CCO1 1065136483 DEGGYHNUHBGYKN-GFCCVEGCSA-N 317.349 -0.896 30 20 DBED C[C@]1(NC(=O)[C@@H]2COC(=O)N2)CCN(c2cncc(C#N)n2)C1 1065250614 HFAANONPIXGJGA-HZMBPMFUSA-N 316.321 -0.458 30 20 DBED C=CCC(CC=C)C(=O)NC[C@@H]1CN(C(=O)C(N)=O)CCO1 1065551221 SXTUPTNBJFOLHH-GFCCVEGCSA-N 309.366 -0.416 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CCCN(C(=O)CS(C)(=O)=O)CC1 1066476335 YQEWRCVGHRQPLU-GHMZBOCLSA-N 315.395 -0.312 30 20 DBED COCC(=O)N1CCC[C@](CO)(Nc2nccnc2C#N)C1 1066879290 DGQJPXIBTBZKFL-AWEZNQCLSA-N 305.338 -0.240 30 20 DBED N#Cc1cccnc1N1C[C@@H](O)[C@H](CNC(=O)c2cnon2)C1 1067677376 CNIFKMYNTPJRNQ-ZYHUDNBSSA-N 314.305 -0.437 30 20 DBED N#Cc1cnc(N2C[C@H]3C[C@@H](NC(=O)C(N)=O)CC[C@H]3C2)cn1 1068268329 XQJQYSXUBHZMKO-AXFHLTTASA-N 314.349 -0.445 30 20 DBED CC#CCCCC(=O)N1CC2(CC[C@@H](CNC(=O)C(N)=O)O2)C1 1068618309 PRGXVZRMZZUPKH-LBPRGKRZSA-N 321.377 -0.459 30 20 DBED C=CCCCC(=O)N1CC2(CC[C@@H](CNC(=O)C(N)=O)O2)C1 1068619953 FCOVBOPMPXRTOL-NSHDSACASA-N 309.366 -0.296 30 20 DBED C#CCCCCCC(=O)N[C@H]1COC2(C1)CN(C(=O)C(N)=O)C2 1068949298 APRGZDIGDFWKOU-GFCCVEGCSA-N 321.377 -0.459 30 20 DBED N#Cc1nc(=NC[C@@H]2CC[C@@H](NC(=O)c3cnn[nH]3)C2)cc[nH]1 1069518643 VSBVKVVKSOKZPA-NXEZZACHSA-N 312.337 -0.101 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@]2(CCCN(C(=O)C(N)=O)C2)C1 1069776970 VZJDYTRXBVNTAW-LRDDRELGSA-N 321.377 -0.649 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)[C@@H]2C[C@H]3C=C[C@H]2O3)CC1 1070975728 YJTRCANXXSUTHX-RBSFLKMASA-N 317.389 -0.386 30 20 DBED N#CCN1CCN([C@@H]2CCCN(C(=O)c3cocn3)C2)C(=O)C1 1071257458 ZWZCHIBTUFDUHM-GFCCVEGCSA-N 317.349 -0.053 30 20 DBED C=CCOCC(=O)N1C[C@@H](C)[C@@H](NC(=O)CCn2cnnn2)C1 1071808207 FUJCGXUKHPPVKQ-NEPJUHHUSA-N 322.369 -0.771 30 20 DBED C[C@@H](C#N)C(=O)NC1(C)CCN(C(=O)[C@H]2CCNC2=O)CC1 1073182140 MJAGFVIFCDZXIN-QWRGUYRKSA-N 306.366 -0.221 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)[C@@H]2CCN(C)C(=O)C2)C1 1073664307 CWWJKCIJWFQZQG-KGLIPLIRSA-N 307.394 -0.305 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CCN(C(=O)c2cn(C)cn2)CC1 1074547751 OOCIUJLOGLKZRZ-NSHDSACASA-N 319.365 -0.337 30 20 DBED C=CCOCCCC(=O)N1CC[C@@H](NC(=O)C(N)=O)C[C@@H]1C 1075143564 BGXFZLYECOHPTI-NWDGAFQWSA-N 311.382 -0.050 30 20 DBED C[C@@H](CCNC(=O)CN1CC(=O)N(C)C1=O)NC(=O)[C@@H](C)C#N 1077484877 RYBNRLQKVZVELX-UWVGGRQHSA-N 323.353 -0.949 30 20 DBED CCN(C(=O)C#CC1CC1)C1CN(C(=O)[C@@H]2COCCN2C)C1 1079737055 VDDOTVXIQXJNCA-HNNXBMFYSA-N 319.405 -0.210 30 20 DBED C#CCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)c2cnn(C)n2)C1 1079775376 XNFWBOVTOUXXNF-NSHDSACASA-N 319.365 -0.474 30 20 DBED CC(=O)N(C)CC(=O)NC1(CO)CCN(C(=O)[C@H](C)C#N)CC1 1080734083 WQWIKDNXCYNCGZ-LLVKDONJSA-N 324.381 -0.906 30 20 DBED C=CCCC(=O)NC1(CO)CCN(C(=O)c2cnn[nH]2)CC1 1080769182 IYTJTJUIVVTDAG-UHFFFAOYSA-N 307.354 -0.146 30 20 DBED C[C@@H](C#N)C(=O)NC1(CO)CCN(C(=O)[C@@H]2CCOC2)CC1 1080979841 BZWWYLFIPDKBOE-NWDGAFQWSA-N 309.366 -0.348 30 20 DBED C#CCCCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)CC(=O)NC)C1 1081431744 UFDPVFSKTGBZEI-CHWSQXEVSA-N 323.393 -0.748 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)c2cccnn2)C[C@@H]1O 1081462849 GGPCXKCLKUJDCM-OCCSQVGLSA-N 316.361 -0.315 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)c2ncc[nH]2)C[C@H]1O 1081464309 XWOZQHUEKVDKBQ-VXGBXAGGSA-N 304.350 -0.382 30 20 DBED O=C(CC1(O)CCC1)NC[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1081466005 NVIRZMOWXUHRDK-UONOGXRCSA-N 320.389 -0.360 30 20 DBED CN(C)CCC(=O)N1C[C@@H](O)[C@H](CNC(=O)C#CC2CC2)C1 1081471630 PZPOVMFKWDKKFF-ZIAGYGMSSA-N 307.394 -0.713 30 20 DBED COc1cc(O)ncc1C(=O)N[C@@H]1CN(CC#N)C[C@H]1OC 1082144045 NUPXDVXWWYQZEV-ZYHUDNBSSA-N 306.322 -0.252 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1ccn2nnnc2c1 1083161500 GCRMSVLXJJIJMA-NWDGAFQWSA-N 313.321 -0.827 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)Cc2ccc(NC(C)=O)cc2)C1 1083612645 FGJORCWGVXWXBV-CVEARBPZSA-N 315.373 -0.018 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2cnnn2-c2ccccc2)C1 1083822718 OYRBVAGWKPFRAQ-HIFRSBDPSA-N 311.345 -0.325 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2nc3nc(C)cc(C)n3n2)C1 1084023502 VHGYLOIJCYLYLP-NEPJUHHUSA-N 314.349 -0.851 30 20 DBED C#CCCN1CC[C@@H]2CN(C(=O)[C@H]3CCS(=O)(=O)C3)[C@@H]2C1 1084497365 LVBDGIFBUQLVBP-HZSPNIEDSA-N 310.419 -0.023 30 20 DBED Cn1cc([C@@H]2CN(C(=O)C(C)(C)C(N)=O)C[C@H]2NCC#N)cn1 1086983300 HCGGZXXHAJZCTR-NWDGAFQWSA-N 318.381 -0.661 30 20 DBED N#Cc1cc(C(=O)N[C@H]2CCN(Cc3cnon3)C[C@H]2O)c[nH]1 1090195467 VBNCFEQXEINOIG-QWHCGFSZSA-N 316.321 -0.365 30 20 DBED CNC(=O)CC(=O)N1CC[C@H](Nc2nccnc2C#N)[C@@H]1C 1090211473 NEXOMKFYWCYXRQ-UWVGGRQHSA-N 302.338 -0.114 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2cc(C(N)=O)cs2)[C@H](O)C1 1090834560 WZDDEAMIZIFFCW-NXEZZACHSA-N 308.363 -0.464 30 20 DBED CCC(=O)NCC(=O)NC[C@H]1C[C@H](N=c2cc[nH]c(C#N)n2)C1 1091445378 UIGIHOYLIJMOSY-XYPYZODXSA-N 316.365 -0.397 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CCN(c2ccc(C#N)cn2)C[C@H]1O 1092130401 VUHNXYBJWRHWSG-CHWSQXEVSA-N 317.349 -0.855 30 20 DBED C[C@]1(CNC(=O)C(N)=O)CN(c2ccc(C#N)cn2)CCO1 1092775066 NJNHXQCVLDFLIE-AWEZNQCLSA-N 303.322 -0.850 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nccn2nnnc12 1092811899 XXMJDOWPZHETFI-VLEAKVRGSA-N 312.337 -0.095 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H]1[C@@H]2CN(c3cncc(C#N)n3)C[C@@H]21 1093312474 YBVHVIUMRXWCRQ-MUYACECFSA-N 311.345 -0.063 30 20 DBED N#Cc1cnc(N2C[C@@H]3C(NC(=O)C4(C(N)=O)CC4)[C@H]3C2)cn1 1093357075 RVZCKMMXEPIQKG-UWVGGRQHSA-N 312.333 -0.835 30 20 DBED N#Cc1nc(=NCCNC(=O)c2ccc3nn[nH]c3c2)cc[nH]1 1093630181 DOVUWTGYFWQMIT-UHFFFAOYSA-N 308.305 -0.117 30 20 DBED CC(C)(C(=O)NCCN=c1cc[nH]c(C#N)n1)S(C)(=O)=O 1093863600 ULSASLRDZCSROB-UHFFFAOYSA-N 311.367 -0.879 30 20 DBED C[C@H]1C[C@@H](C(=O)NCCNc2nccnc2C#N)CC(=O)N1 1093982403 FFSHSQZTRXRBRF-VHSXEESVSA-N 302.338 -0.209 30 20 DBED C#CCN1CC(n2cc(CNC(=O)c3nccnc3N)nn2)C1 1094279299 GISYRBYRNUDCDV-UHFFFAOYSA-N 312.337 -0.930 30 20 DBED C#CCN1CCN(C(=O)[C@@H](F)CC)[C@@H]2CS(=O)(=O)C[C@@H]21 1094653099 BHOHTAOQCBNLAF-SDDRHHMPSA-N 302.371 -0.323 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)C3CCC(O)CC3)CC2=O)C1 1094731602 PKQLQSXBLMIFBW-OWYJLGKBSA-N 319.405 -0.428 30 20 DBED CC(=O)N(C)CC(=O)N1CC[C@@H](N=c2cc[nH]c(C#N)n2)C1 1095019897 HZMMIRRWPUKTAV-LLVKDONJSA-N 302.338 -0.739 30 20 DBED C=CCOCC(=O)N1CC[C@@H](Nc2ncnc3c2nnn3C)C1 1095027607 YDTFXBRQZDZMCD-SNVBAGLBSA-N 317.353 -0.026 30 20 DBED CCS(=O)(=O)CC(=O)N1CC[C@@H](Nc2ccc(C#N)nn2)C1 1095043241 SMHPRKDUORRJJC-LLVKDONJSA-N 323.378 -0.204 30 20 DBED Cc1cc(N2CCCN(C(=O)CNC(N)=O)CC2)c(C#N)cn1 1095164335 QATYBRSYJBKZLU-UHFFFAOYSA-N 316.365 -0.031 30 20 DBED CN(CCCNC(=O)Cn1cnnc1O)c1ccc(C#N)nn1 1095541177 JCGIDPRFLUUSHU-UHFFFAOYSA-N 316.325 -0.712 30 20 DBED CN(CCCNC(=O)[C@]1(C)CNC(=O)C1)c1nccnc1C#N 1095681810 MMDKARDEPSMOIM-HNNXBMFYSA-N 316.365 -0.183 30 20 DBED CC[C@H](NC(C)=O)C(=O)N[C@H]1CCN(c2cncc(C#N)n2)C1 1096485643 LFWAIJLWAIBIDY-AAEUAGOBSA-N 316.365 -0.042 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCCC(=O)N1)Nc1cnc(C#N)cn1 1098117014 AUMYFBQPGVOVTG-GXSJLCMTSA-N 302.338 -0.066 30 20 DBED Cn1ncc(CN2CC[C@@H](NC(=O)CSCC#N)[C@@H](O)C2)n1 1099693539 UCLPMPQMZNQQPH-NEPJUHHUSA-N 324.410 -0.877 30 20 DBED C#CCCN1CC[C@H](NC(=O)CCc2ccn(C)n2)[C@H](O)C1 1099858021 GDVSFNCOXBZOBB-LSDHHAIUSA-N 304.394 -0.073 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)c2cc(F)c[nH]2)[C@H](O)C1 1099921018 IUNXILWFRUIOFA-DGCLKSJQSA-N 324.356 -0.379 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCN(CCCOC)C[C@H]2O)nn1 1100026749 HMMJOEQFBZGEOB-GXTWGEPZSA-N 323.397 -0.334 30 20 DBED CN(CCNC(=O)[C@@H]1CCCNC1=O)c1ccc(C#N)nn1 1100185381 XLNDZNWFPOBNAI-LLVKDONJSA-N 302.338 -0.573 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)C(C)(C)COC)C1 1100507580 OCDDFAVTIFJHLJ-UHFFFAOYSA-N 309.410 -0.107 30 20 DBED COCC#CCN1C[C@@H]2CN(C(=O)[C@@H]3CCNC3=O)C[C@]2(C)C1 1101320357 KYHYMMQLCBGCEZ-CPUCHLNUSA-N 319.405 -0.447 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H]1CN([C@@H](C)COC)C[C@H]1C 1101900096 IIGYNVLEMKYDQJ-HZSPNIEDSA-N 309.410 -0.155 30 20 DBED CN(CCNc1cnc(C#N)cn1)C(=O)CCS(C)(=O)=O 1102033412 FFMKGUCEGTXWFE-UHFFFAOYSA-N 311.367 -0.347 30 20 DBED CCNC(=O)CC(=O)NC[C@@H](CC)N=c1cc[nH]c(C#N)n1 1103066401 XFRYZUBMBMPRJQ-SNVBAGLBSA-N 304.354 -0.397 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1CCNC(=O)c1cnon1 1103554922 BRCUWQGOQVDTOB-GHMZBOCLSA-N 320.353 -0.603 30 20 DBED CC(=O)NCC(=O)NC[C@@H](C)CNc1nc(C)cc(C#N)n1 1103843455 CAGSERBKUHIDOL-SECBINFHSA-N 304.354 -0.043 30 20 DBED C=CCCC(=O)N1CC(n2cc(CNC[C@H](O)COC)nn2)C1 1105185927 XKVHVBANFCYHBM-AWEZNQCLSA-N 323.397 -0.276 30 20 DBED CN(CCN(C)c1cnc(C#N)cn1)C(=O)[C@]1(C)CCC(=O)N1 1105552712 BLTATQIVISQJBW-HNNXBMFYSA-N 316.365 -0.088 30 20 DBED CC(=O)N[C@@H](C)C(=O)NC[C@@H](O)CNc1ccc(C#N)cn1 1105734655 AYELJHQPZZMCEL-CABZTGNLSA-N 305.338 -0.633 30 20 DBED CCc1nc(C#N)cc(NC[C@@H](O)CNC(=O)[C@@H](C)C#N)n1 1105773703 LWYIBAJQOROGAQ-GXSJLCMTSA-N 302.338 -0.041 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)CCCC(N)=O)nc1 1105883680 XBIPSDNVDBXPFI-NSHDSACASA-N 305.338 -0.502 30 20 DBED CC[C@H](NC(C)=O)C(=O)NC[C@H](O)CNc1cncc(C#N)n1 1106123030 IOABMIPQWPCFSG-NEPJUHHUSA-N 320.353 -0.848 30 20 DBED N#Cc1cncc(NC[C@H](O)CNC(=O)[C@@]23COC[C@@H]2C3)n1 1106145106 HPBIYARSQLEABY-CHIMOYNISA-N 303.322 -0.726 30 20 DBED C=CCOCCNC[C@@H]1CN(C(=O)[C@H]2CN(C)C(=O)N2)C[C@H]1C 1106524641 SDPCRWCFRBTWDC-MGPQQGTHSA-N 324.425 -0.103 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)c1cnnn1C 1106754187 GUOSIOBNHVTYHW-UHFFFAOYSA-N 300.326 -0.527 30 20 DBED C=CCN1CC(n2cc(CNC(=O)Cc3cncn3C)nn2)C1 1107229802 SIGSQVJRWKZDNH-UHFFFAOYSA-N 315.381 -0.087 30 20 DBED C=CCNC(=O)CN1CCO[C@](C)(CNC(=O)C(F)F)C1 1107671889 UTSPVIKQSUXGEY-CYBMUJFWSA-N 305.325 -0.239 30 20 DBED C[C@H](CN=c1cc[nH]cc1C#N)NC(=O)Cn1cnnc1O 1107726729 TXOAPONPBUIQBZ-SECBINFHSA-N 301.310 -0.711 30 20 DBED C=CCCCN1CCO[C@@](C)(CNC(=O)Cn2cnnn2)C1 1107727988 NCEKSYVSWQSLCC-AWEZNQCLSA-N 308.386 -0.154 30 20 DBED C#CCCCC(=O)NC[C@]1(C)CN(CC(=O)NCC#N)CCO1 1107901537 RUBKXYHJKZCVGW-MRXNPFEDSA-N 320.393 -0.363 30 20 DBED C=CCCN1CCO[C@](C)(CNC(=O)CCn2cnnn2)C1 1108302427 KGAZAUNZEVXHBU-CQSZACIVSA-N 308.386 -0.154 30 20 DBED CC(=O)N1CC[C@@](C)(C(=O)NC[C@@]2(C)CN(CC#N)CCO2)C1 1108329804 VUFDOQZRPKLYSB-CVEARBPZSA-N 322.409 -0.024 30 20 DBED COCC#CCN1CCO[C@](C)(CNC(=O)Cn2cncn2)C1 1108384034 LFQSHRCSEHZCPI-OAHLLOKOSA-N 321.381 -0.865 30 20 DBED C[C@]1(CNC(=O)c2ccc(C(N)=O)cn2)CN(CC#N)CCO1 1108435826 DVUQHQOWVDVRNX-HNNXBMFYSA-N 317.349 -0.475 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)CCC(=O)NCC)CC2=O)C1 1108522870 YAUSLHJRLRHLIS-LBPRGKRZSA-N 322.409 -0.510 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)C[C@H]1CCN(C)C1=O 1108585080 NCQAUQFAPZLYCN-WDEREUQCSA-N 316.365 -0.445 30 20 DBED CS(=O)(=O)CC(=O)N[C@@H]1[C@H]2C[C@H]1N(c1ccnc(C#N)n1)C2 1109693153 NWXGEDCAWWLUAQ-IGJMFERPSA-N 321.362 -0.914 30 20 DBED N#Cc1cncc(N2CCC(F)(F)[C@@H](CNC(=O)C(N)=O)C2)n1 1111014475 UGSQUMQYANEYJB-QMMMGPOBSA-N 324.291 -0.589 30 20 DBED N#Cc1c(F)cccc1N1CC[C@](O)(CNC(=O)CC(N)=O)C1 1111053618 IKRLYSKYKDFBMN-HNNXBMFYSA-N 320.324 -0.370 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@]1(O)CCN(c2cnc(F)cn2)C1 1111098316 QKRQZHOPIFTTBU-IAQYHMDHSA-N 322.340 -0.289 30 20 DBED COCCOCC(=O)N(CCO)CCN=c1cc[nH]cc1C#N 1111436252 YBBBIVJKDZISBF-UHFFFAOYSA-N 322.365 -0.729 30 20 DBED Cc1cc(=NCCN(CCO)C(=O)[C@H]2CCOC2)c(C#N)c[nH]1 1111446192 ZIWUZWQANQHCFJ-ZDUSSCGKSA-N 318.377 -0.047 30 20 DBED C=CCO[C@@H](C)C(=O)N(CCO)CCN=c1cc[nH]c(C#N)n1 1111484420 ZXLCZBWMDHWSES-LBPRGKRZSA-N 319.365 -0.406 30 20 DBED C=CCN(CC=C)C(=O)CN1CCN(C(=O)CNC(C)=O)CC1 1112599516 HQLPCGCRCMJDNO-UHFFFAOYSA-N 322.409 -0.533 30 20 DBED CC(=O)N(C)CC(=O)N[C@@H](C)[C@H](C)N=c1cc[nH]c(C#N)n1 1112962534 IMMPPYBOFRJFEL-UWVGGRQHSA-N 304.354 -0.446 30 20 DBED CNC(=O)NCC(=O)N[C@H](C)[C@H](C)N=c1cc[nH]c(C#N)n1 1113350626 WQYSZBNGDAYMFF-DTWKUNHWSA-N 305.342 -0.996 30 20 DBED CCC(=O)NCC(=O)NC[C@@H](C)N(C)c1cnc(C#N)cn1 1113537067 GZIZCYRMBFJEJT-SNVBAGLBSA-N 304.354 -0.185 30 20 DBED Cc1nc(CC(=O)NC[C@@H](C)N(C)c2ccc(C#N)nn2)n[nH]1 1113586179 VONGNIOKRLQLRR-SECBINFHSA-N 314.353 -0.042 30 20 DBED Cn1cccc1C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1113861115 UZDMEIFOKVZQSM-YABSGUDNSA-N 301.350 -0.675 30 20 DBED CNC(=O)CC(=O)N[C@H]1CN(c2ccc(C#N)nn2)CC[C@H]1C 1114011922 XBDCEGCZOBMUJY-PWSUYJOCSA-N 316.365 -0.185 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)Cc3ccon3)[C@H]2C1 1114093001 HQAMGVHJMSZZDA-DRZSPHRISA-N 318.377 -0.046 30 20 DBED Cc1cc(C(=O)NC2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]23)co1 1114173606 DKLIDEPBLMSJNX-VXGBXAGGSA-N 302.334 -0.112 30 20 DBED C#CCCN1C[C@@H]2C(NC(=O)COCc3nncn3C)[C@H]2C1 1115056122 UMBFMCVHBUXIEV-RYUDHWBXSA-N 303.366 -0.599 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)CN3CCCC3)[C@@H]2C1 1115242149 WIZHAASFSWKPNO-CHWSQXEVSA-N 306.410 -0.569 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3nonc3C)[C@H]2C1 1115346198 SZZVBZURDZNUGM-IWIIMEHWSA-N 305.338 -0.660 30 20 DBED CCOCC(=O)NCCOCCCN=c1cc[nH]c(C#N)n1 1115376650 XQOPUJFXZSPLGO-UHFFFAOYSA-N 307.354 -0.259 30 20 DBED N#Cc1ccc([C@@H](NCCCN2C(=O)CNC2=O)C(N)=O)cc1 1116074882 YOODMJQYQMYTRS-CYBMUJFWSA-N 315.333 -0.384 30 20 DBED C#CCSCCNC(=O)C(=O)N1CCC(O)(COC)CC1 1117412383 WEOHPVBASCUSFB-UHFFFAOYSA-N 314.407 -0.531 30 20 DBED C#CCSCCNC(=O)C(=O)N(C)CCc1cnccn1 1117461357 GDZAIDKXYKDKLE-UHFFFAOYSA-N 306.391 -0.040 30 20 DBED N#CCNC(=O)CNC1CC2(C1)CC(NC(=O)c1cn[nH]c1)C2 1120682056 ANIWRMREXFJXNM-UHFFFAOYSA-N 316.365 -0.320 30 20 DBED Cc1cc(N[C@H](CO)CNC(=O)[C@H](C)C#N)n2ncnc2n1 1121212761 IVTSWOCBHNRSOD-SCZZXKLOSA-N 303.326 -0.519 30 20 DBED N#Cc1nc(=N[C@@H](CO)CNC(=O)c2ccc(F)cn2)cc[nH]1 1121332107 MHVLGNJUEPACJA-SNVBAGLBSA-N 316.296 -0.493 30 20 DBED CCn1nccc1C(=O)NC[C@H](CO)Nc1ccc(C#N)nn1 1121377429 OGGIDZUBZFBISR-LLVKDONJSA-N 315.337 -0.233 30 20 DBED Cc1c(C(=O)NC[C@H](CO)Nc2ccc(C#N)cn2)nnn1C 1121406299 SJZJYWJNQKDMFF-LLVKDONJSA-N 315.337 -0.407 30 20 DBED CN1CC[C@@H](C(=O)NC[C@@H](CO)Nc2cnc(C#N)cn2)C1 1121588498 BFGRESXXKXEDGZ-PWSUYJOCSA-N 304.354 -0.811 30 20 DBED C=CCO[C@@H](C)C(=O)NC[C@@H](CO)N=c1cc[nH]cc1C#N 1121748947 IPUKJBIPHZBOPX-AAEUAGOBSA-N 304.350 -0.145 30 20 DBED C=C[C@](C)(O)CC(=O)N(C)C[C@@H](O)CN=c1cc[nH]cc1C#N 1124265993 BIEKCTFJYGBXNM-BBRMVZONSA-N 318.377 -0.067 30 20 DBED CN(C[C@H](O)CNc1nccnc1C#N)C(=O)c1cnn(C)n1 1124415259 ROKVFCXPEYOEJL-SECBINFHSA-N 316.325 -0.978 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)COCCC 1124459843 RGKJDYXOSYHTBC-NSHDSACASA-N 314.386 -0.481 30 20 DBED Cn1ccc(N2CC[C@@H](NCCNC(=O)C#CC3CC3)C2=O)n1 1126880873 DYOFJGZEKDRPHG-CYBMUJFWSA-N 315.377 -0.355 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1ccn(C(F)F)n1 1128228040 QPWCUMCVIBWINQ-UHFFFAOYSA-N 301.297 -0.100 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1ccc2nnc(C)n2c1 1130640208 PCJAJNIGFZSFPU-UHFFFAOYSA-N 314.349 -0.893 30 20 DBED COC(=O)NCC(=O)N1C[C@@H](NCC#N)[C@H](c2cncn2C)C1 1130924820 FQAYCBDRJLSEDL-GHMZBOCLSA-N 320.353 -0.816 30 20 DBED CC#CCN1C[C@H]2C[C@@H]3CN(C(=O)[C@H](C)CC(N)=O)C[C@@]3(C1)O2 1131252769 ZHLUMUHGGVWYGH-VMUDFCTBSA-N 319.405 -0.177 30 20 DBED CN1C[C@@H](C(=O)NCCNCc2ccc(C#N)s2)NC1=O 1132382517 LHSMZPFGFMOSGH-NSHDSACASA-N 307.379 -0.151 30 20 DBED C#CCN1C[C@@H](NC(=O)COCc2nncn2C)CC[C@@H]1C 1132392959 TWOQWKKGCGWDLA-STQMWFEESA-N 305.382 -0.066 30 20 DBED CCS(=O)(=O)NCC(=O)N1CC[C@H](C)[C@H](CNCC#N)C1 1132865509 NVGBOKFWICPOLY-NWDGAFQWSA-N 316.427 -0.477 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CC12CC2 1134324092 UFMVBQCCYPVQLI-MNOVXSKESA-N 308.382 -0.107 30 20 DBED C[C@@H](C[C@@H](C)NCC#N)NC(=O)Cn1ncn2nccc2c1=O 1135614158 NMMMUABNAJUSCP-MNOVXSKESA-N 317.353 -0.713 30 20 DBED COCC#CCN1CCC2(C1)CN(C(=O)c1cn(C)c(O)n1)C2 1148206307 WTEQZDITOVIQJL-UHFFFAOYSA-N 318.377 -0.077 30 20 DBED N#CCNC(=O)CN1CCCO[C@@H](CNC(=O)C2CCC2)C1 1148941254 HYMOVZARIXXNNF-ZDUSSCGKSA-N 308.382 -0.367 30 20 DBED C=CCNC(=O)CN1CCCO[C@H](CNC(=O)c2cc[nH]n2)C1 1149189343 RLDUVKPIADDVAA-GFCCVEGCSA-N 321.381 -0.467 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CN(CC)CCO1 1151756385 LBDVIZHDQHRLIA-STQMWFEESA-N 312.414 -0.896 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)CC[C@]1(C)CCC(=O)N1 1153906330 RWBAZTLZRLVYOW-MLGOLLRUSA-N 324.425 -0.168 30 20 DBED C=CCNC(=O)NC(=O)CNCCCNC(=O)c1cc[nH]n1 1154891752 CKDYTEKETLUDKQ-UHFFFAOYSA-N 308.342 -0.869 30 20 DBED COCCCNC(=O)CNCCCNC(=O)c1cc(C#N)c[nH]1 1156282288 QJOLTLVUSBFQEM-UHFFFAOYSA-N 321.381 -0.251 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)[C@@H]1CCCN1CC#C 1160209827 XTOBTDULDLDTDP-CABCVRRESA-N 318.421 -0.682 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@H]1CCN(C)C(=O)C1 1161148306 LEMYXCNUYCBULM-LBPRGKRZSA-N 310.398 -0.747 30 20 DBED C=CCn1cc(C(=O)NCCCN[C@H]2CCCN(C)C2=O)nn1 1167838552 GRONPKWQSAOHNJ-LBPRGKRZSA-N 320.397 -0.206 30 20 DBED CCn1cc(CC(=O)NCCCNCC(=O)NCC#N)cn1 1170810774 LJDAHZQWBHAGLY-UHFFFAOYSA-N 306.370 -0.819 30 20 DBED COCC#CCNCCCNC(=O)c1cncc(C(N)=O)c1 1176277643 LLYSOZBZUJXQBX-UHFFFAOYSA-N 304.350 -0.460 30 20 DBED C#CCNC(=O)CN1CCO[C@H]2CCN(C(=O)CC3CC3)C[C@H]21 1176882926 VXJWISKHEBVTBE-CABCVRRESA-N 319.405 -0.162 30 20 DBED C=CCCC(=O)N1CC[C@@H]2OCCN(CC(=O)NCC#N)[C@H]2C1 1176949794 SZGJLBQPYXETTJ-KBPBESRZSA-N 320.393 -0.106 30 20 DBED C=CCCOCC(=O)NCCCNCCOCCNC(C)=O 1177260579 ROSHUENLHSKMEP-UHFFFAOYSA-N 315.414 -0.172 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)Cc2n[nH]c(C)n2)C1 1182442761 RQTZHPUBWDMSRF-CMPLNLGQSA-N 320.397 -0.463 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@]2(CC)CCNC2=O)C1 1183389134 AGDXDWLBLZHYMZ-WBMJQRKESA-N 322.409 -0.605 30 20 DBED Cc1c[nH]nc1C(=O)N1CC[C@H]2CN(CC(=O)NCC#N)C[C@H]21 1187804815 QOYIKINZWSYIOF-NWDGAFQWSA-N 316.365 -0.496 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@H](N(C)Cc2ncnn2C)C1 1190093983 FXQWAVQEDASKHO-STQMWFEESA-N 305.382 -0.114 30 20 DBED C=CCC[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)CCNC(=O)NC)C1 1192702683 UMHRTMMYAPQJDB-JHJVBQTASA-N 312.414 -0.179 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CCN(C(=O)[C@H]2CCCO2)CC1 1199216348 CCLOCEXGGFZUOE-TZMCWYRMSA-N 307.394 -0.116 30 20 DBED C=CCOCCNC1CCN(C(=O)CS(C)(=O)=O)CC1 1199552755 NFKHGHWJHUMKCK-UHFFFAOYSA-N 304.412 -0.186 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)OC)CC1 1199667731 OSJXQGIMUAFVFO-OLZOCXBDSA-N 323.393 -0.322 30 20 DBED CC#CCNC[C@H]1CN(C(=O)[C@@H]2CCNC(=O)C2)CCCO1 1200239164 PZGWWWMUXLADBH-KGLIPLIRSA-N 307.394 -0.257 30 20 DBED C#CCOCCC(=O)N1CCC(N[C@@H]2CCCNC2=O)CC1 1200523456 SQMOLMJHLRRWDR-CQSZACIVSA-N 307.394 -0.115 30 20 DBED C=C(C)CNC[C@H]1CN(C(=O)C[C@H]2CC(=O)NC2=O)CCCO1 1202249681 CYAWLHCXOOGGCI-OLZOCXBDSA-N 323.393 -0.178 30 20 DBED C=CCOCC(=O)N[C@@H]1C[C@@H](NCC(=O)NC(N)=O)C12CCC2 1202634537 SARRQBZOZVKFPZ-GHMZBOCLSA-N 324.381 -0.599 30 20 DBED C#CCCN1C[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)CC)[C@H](C)C1 1207037573 NOHGAZHXHGNHAY-JHJVBQTASA-N 315.439 -0.226 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCCN(C(=O)C2=COCCO2)C1 1207152521 ZCMDUJIPZIDBAV-STQMWFEESA-N 321.377 -0.407 30 20 DBED COCC#CCN1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)[C@H](C)C1 1208580223 OMIMOVCKBAXLBT-YIYPIFLZSA-N 323.393 -0.894 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CCNC(=O)C2)C[C@H]1C 1214431208 PWBKDRSFLTYRJB-FRRDWIJNSA-N 322.409 -0.749 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)Cc2ccn(C)n2)C1 1219588906 OFWBVODTIQQNMX-KGLIPLIRSA-N 308.382 -0.674 30 20 DBED C#CCCCCCC(=O)N[C@@H]1CN(C[C@@H](O)COC)C[C@@H]1O 1220147039 YKLDBIYQNOVJIJ-KFWWJZLASA-N 312.410 -0.261 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CN(CC(=O)N(C)CC)C[C@@H]1O 1221141762 YZANYOVVNSOIMO-XQQFMLRXSA-N 313.398 -0.783 30 20 DBED C=CCOCC(=O)N1CC[C@H]2CCN(Cc3nnn(C)n3)[C@H]2C1 1222448220 OBUXIMLQENLQKB-OLZOCXBDSA-N 320.397 -0.165 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CCN(C(=O)c3cnco3)C[C@@H]21 1223214592 UDCYHVWEUJKJFX-OLZOCXBDSA-N 316.361 -0.040 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cn(C)cn1 1225661259 ASNUCUADFGTLTB-CHWSQXEVSA-N 317.393 -0.200 30 20 DBED C=CCOCC(=O)NC1CCN(CCN2CCNC2=O)CC1 1226598515 HYEDUBKRPVVNHO-UHFFFAOYSA-N 310.398 -0.205 30 20 DBED C=CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)[C@@H](C)NC(C)=O 1230658666 DMBSUNZOUHNEPD-DGCLKSJQSA-N 310.398 -0.654 30 20 DBED C=CCN1CC[C@@H](N(C)CCCNC(=O)[C@@H](C)NC(C)=O)C1=O 1233580692 RAQDHPVWXNMPRH-TZMCWYRMSA-N 324.425 -0.264 30 20 DBED C#CCNC(=O)[C@H](C)N(C)CCCNC(=O)CN1CCCC1=O 1233783729 FMDSHHLCFLCXLS-ZDUSSCGKSA-N 322.409 -0.815 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)c1n[nH]cc1C 1234111398 JSKVYTNMIGUJBR-LBPRGKRZSA-N 303.366 -0.386 30 20 DBED C#CCOCCC(=O)N(C)C[C@H]1CCN1CCS(C)(=O)=O 1234254686 CAXDQXXDZZMBAL-CYBMUJFWSA-N 316.423 -0.396 30 20 DBED CCN(CCO)CCNC(=O)C(=O)Nc1ccn(CCC#N)n1 1255018850 LMRNOYHFFYIUDL-UHFFFAOYSA-N 322.369 -0.834 30 20 DBED C[C@H]1CN(CC(=O)NCCC#N)CC[C@H]1N1CCN(C)CC1 1319855307 BPRCRJCTVXFGHH-LSDHHAIUSA-N 307.442 -0.026 30 20 DBED Cc1noc(CCCNC(=O)C(=O)N2CC[C@](O)(CC#N)C2)n1 1326083342 HDJVHEXPCIGGPH-CQSZACIVSA-N 321.337 -0.696 30 20 DBED Cc1cnc(S(C)(=O)=O)nc1C(=O)N1CCN(CC#N)CC1 1334081229 QBOOOWFUUTZNBG-UHFFFAOYSA-N 323.378 -0.530 30 20 DBED C=C(C)Cn1nnnc1N(C)[C@H]1CCN(S(C)(=O)=O)C1 1334420742 WVOINMUBCQBVAZ-JTQLQIEISA-N 300.388 -0.281 30 20 DBED C=CCn1c([C@@H](C)CO)nnc1N1CCN2C(=O)NC[C@H]2C1 1338992794 MNFBJPRNALMKRX-QWRGUYRKSA-N 306.370 -0.226 30 20 DBED CC(C)(C)C(=O)NCCNC(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1345855392 KOVHQTIYCFRLKX-HNNXBMFYSA-N 324.381 -0.858 30 20 DBED CN(C)S(=O)(=O)N(C)CC(=O)NCc1ccnc(C#N)c1 1362423101 ZHVOWRAOYXHEIF-UHFFFAOYSA-N 311.367 -0.692 30 20 DBED CC1(C(=O)NCCn2cc(C#N)c(O)nc2=O)CCOCC1 1362998460 FZHRRAIPCCWSDA-UHFFFAOYSA-N 306.322 -0.247 30 20 DBED COCCN1CCC[C@H](Nc2[nH]c(=O)n(C)c(=O)c2C#N)C1 1364204621 SVOFTVIDKBHMAN-JTQLQIEISA-N 307.354 -0.532 30 20 DBED COC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H](C)n1cnc(C#N)n1 1364285240 ATHGPFADTDSAHX-PSASIEDQSA-N 317.309 -0.666 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@]1(C)CCC(=O)N1 1365711916 JMIHEZNBDCTMEK-JQWIXIFHSA-N 302.400 -0.029 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CCCN1C(=O)c1nccnc1N 1374056142 SNANMOZARWUDLA-NXEZZACHSA-N 302.338 -0.061 30 20 DBED CC(=O)NCC(=O)N(C)CC1CCN(C(=O)[C@H](C)C#N)CC1 1398501260 JYJPAPMFUFQTFM-LLVKDONJSA-N 308.382 -0.021 30 20 DBED Cn1c(C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)cnc1O 1413396453 QWZAICATEFMZSV-UHFFFAOYSA-N 317.309 -0.191 30 20 DBED CNC(=O)[C@H](O)CNC(=O)[C@H]1CCCN1c1ccc(C#N)cc1 1413850538 OLWHAWSSNINRFR-ZIAGYGMSSA-N 316.361 -0.250 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@]1(C)CCN(C(=O)CS(C)(=O)=O)C1 1417359283 MCEUDCDIMXJHLG-GXFFZTMASA-N 315.395 -0.455 30 20 DBED CCN(C(=O)[C@@H](C)C#N)[C@H](C)CNC(=O)CS(C)(=O)=O 1426325544 KKIIGBJZPSSGNX-VHSXEESVSA-N 303.384 -0.456 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C)C(=O)[C@@H]1CCCS1(=O)=O 1429456522 YVNUEFPMGUNBOC-UWVGGRQHSA-N 301.368 -0.702 30 20 DBED C[C@@H](CN1CC(CNC(=O)[C@H](C)C#N)C1)CS(C)(=O)=O 1438110756 IYMSKBNZIYRBND-WDEREUQCSA-N 301.412 -0.125 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)c2ccc(=O)n(C)n2)C1 1447480161 HZGUOHWVCURPFF-GUBZILKMSA-N 303.322 -0.683 30 20 DBED Cn1ncc(C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)c1N 1454633825 VVTPJXKWYUDEJG-UHFFFAOYSA-N 316.325 -0.314 30 20 DBED C[C@H]1CCOCCN1C(=O)CCn1cc(C#N)c(O)nc1=O 1472247762 GGOUZUZPZNOYDR-JTQLQIEISA-N 306.322 -0.152 30 20 DBED N#CCNC(=O)CNC[C@H]1CCCN1C(=O)c1ccncc1 1483918562 DFDKWJHXBULSJQ-CYBMUJFWSA-N 301.350 -0.084 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(O)(CN[C@@H](C)c2nncn2C)CC1 1484949391 FPERUFFCBPCNLK-RYUDHWBXSA-N 320.397 -0.021 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CCN(c2nccnc2-c2nn[nH]n2)C1 1573577878 UTNMXPSHKAPEIA-BDAKNGLRSA-N 313.325 -0.489 30 20 DBED CC(C)(C#N)CS(=O)(=O)N[C@@H]1CC(=O)N(C2CNC2)C1 1575099643 OKXMRJQSIQZJRR-SECBINFHSA-N 300.384 -0.972 30 20 DBED N#Cc1ncc(N[C@H]2CCCN(C(N)=O)C2)nc1-c1nn[nH]n1 1581882510 BOSAXYDYYZTPHI-ZETCQYMHSA-N 314.313 -0.517 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N1CCC[C@H]1CC(=O)O 1588390486 WCRHSDFSXVNHBK-NEPJUHHUSA-N 310.350 -0.003 30 20 DBED C=CCC(C)(C)C(=O)NCC1(O)CN(C(=O)[C@H]2C[C@@H]2C(=O)O)C1 1588731742 NTEIMAVSHDLWQY-QWRGUYRKSA-N 324.377 -0.001 30 20 DBED C[C@H](C(=O)NCC(=O)O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 1589396797 MJPRBZUUTMPBGA-ZYHUDNBSSA-N 318.333 -0.004 30 20 DBED CN(CCCN(C)C(=O)[C@@H]1C[C@@H]1C(=O)O)CC(=O)NCC#N 1598477615 SOTCGFKCTAGTEY-MNOVXSKESA-N 310.354 -0.873 30 20 DBED C#C[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)OC(C)(C)C 1602671505 VIDOOCSRLMRRMB-ZJUUUORDSA-N 314.338 -0.145 30 20 DBED C#CCN(C1CSC1)S(=O)(=O)c1n[nH]cc1C(=O)O 1602715427 GZEBQNAODJQFCB-UHFFFAOYSA-N 301.349 -0.153 30 20 DBED Cc1cc(NC(=O)C(=O)N[C@@H](C)CC#N)ncc1-c1nn[nH]n1 1605703052 JDZHTQVIDBIYDF-QMMMGPOBSA-N 314.309 -0.073 30 20 DBED Cc1nc(C2CN(c3cnc(C#N)c(-c4nn[nH]n4)n3)C2)n[nH]1 1606040354 PUYVEQOBBNQDLD-UHFFFAOYSA-N 309.297 -0.441 30 20 DBED Cn1c(O)c(C(=O)/C=C\c2ccc(C(=O)O)o2)c(=O)n(C)c1=O 1608091225 BLKCQRIHEWKSCP-HYXAFXHYSA-N 320.257 -0.023 30 20 DBED CN(CCC#N)S(=O)(=O)N1CCC2(CCNC2=O)CC1 1646087239 TZYFOYWAFLVBBD-UHFFFAOYSA-N 300.384 -0.321 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2c[nH]c(C)cc2=O)C1 1661363045 UCYIMHBGZPXZST-LBPRGKRZSA-N 316.361 -0.763 30 20 DBED C[C@@H](NC(=O)c1cn[nH]c1)[C@H]1CCCN(CC(=O)NCC#N)C1 1752833333 FAGOADGLWKLNTP-NEPJUHHUSA-N 318.381 -0.120 30 20 DBED C[C@H](CNC(=O)c1ccc2cccnn12)NCC(=O)NCC#N 1752902572 DYTICWFDVBYYRZ-LLVKDONJSA-N 314.349 -0.318 30 20 DBED Cc1ocnc1C(=O)N(C)[C@@H]1CCN(CC(=O)NCC#N)C1 1753429318 FJGLFTSYFAOEJM-LLVKDONJSA-N 305.338 -0.231 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@@H](C)CNC(=O)c1[nH]cnc1C 1753646972 BKAGZZDZYUNSFP-PWSUYJOCSA-N 305.382 -0.188 30 20 DBED N#CCNC(=O)CN1CCO[C@H](CNC(=O)C2[C@@H]3CCC[C@@H]23)C1 1753655038 ACURMMBOXKJPJJ-JHJVBQTASA-N 320.393 -0.511 30 20 DBED C=CCNC(=O)CNC[C@@H](C)N(C)C(=O)c1cnnc(O)c1 1753696778 FFFULMSHJGSGDO-SNVBAGLBSA-N 307.354 -0.466 30 20 DBED C=C(C)CN1CC[C@H]1CNC(=O)Cn1ccc(=O)n(C)c1=O 1754485544 XGRAWGATNFRIJW-LBPRGKRZSA-N 306.366 -0.686 30 20 DBED CC(C)(C)C#CC(=O)N[C@@]1(C)CCN(CC(=O)NC(N)=O)C1 1754671210 WLHGMXNMOKNMQP-HNNXBMFYSA-N 308.382 -0.189 30 20 DBED N#CCNC(=O)CN1C[C@H]2C[C@@H](NC(=O)c3cnn[nH]3)C[C@H]1C2 1754785569 OHEFAPXLRHJNBL-HBNTYKKESA-N 317.353 -0.973 30 20 DBED C#CCNC1CCN(CCNC(=O)Cn2ccnc2C)CC1 1754850063 SENQKTOTYSILHU-UHFFFAOYSA-N 303.410 -0.005 30 20 DBED N#CCN1CCC[C@@](CO)(NC(=O)c2nccn3ccnc23)C1 1754858283 XWQDOWWEWOPIQN-OAHLLOKOSA-N 314.349 -0.190 30 20 DBED C#CCNC(=O)CN[C@]1(CO)CCCN(C(=O)C2(C)CCC2)C1 1755086830 OKTXSOTYPYKBGF-QGZVFWFLSA-N 321.421 -0.131 30 20 DBED COCC#CCNCC1(O)CCN(C(=O)c2c[nH]nc2C)CC1 1755151639 MPVGNNYHOMJPRJ-UHFFFAOYSA-N 320.393 -0.075 30 20 DBED C#CCN1CCC(CO)(NC(=O)c2ccc3nn[nH]c3n2)CC1 1755177851 FOFVIWBNMMZTMJ-UHFFFAOYSA-N 314.349 -0.457 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)CNC(C)=O)C(C)(C)C1 1755402863 BZAOVONABCRPAB-WCQYABFASA-N 324.425 -0.360 30 20 DBED C=CCN[C@@H](C)[C@H]1CN(C(=O)CS(=O)(=O)N(C)C)CCO1 1755448739 WQKMEPBULGDCSB-NWDGAFQWSA-N 319.427 -0.731 30 20 DBED C[C@@H](CN(C)C(=O)c1c[nH]c(C#N)c1)N[C@@H]1CCC(=O)NC1=O 1755580687 BOMZQHGVDPWODE-JOYOIKCWSA-N 317.349 -0.258 30 20 DBED CN(C[C@H](O)CNCC#N)C(=O)[C@H]1CCCN(C(=O)C2CC2)C1 1755781611 XARWVXSEOGQRHJ-UONOGXRCSA-N 322.409 -0.433 30 20 DBED C#CCNC(=O)CNCc1ccc(CNC(=O)COC)c(F)c1 1755900632 MSCYYSWKWTWNFY-UHFFFAOYSA-N 321.352 -0.073 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)[C@H](C)NC(=O)C1CCOCC1 1755945993 ORKGJYFUBNVFQN-RYUDHWBXSA-N 323.393 -0.438 30 20 DBED C=C[C@](C)(CC)C(=O)NC[C@@H](CO)NC(=O)c1cnn(C)c1N 1756547831 KRNMVRJNGBIXSS-ZUZCIYMTSA-N 323.397 -0.189 30 20 DBED CO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)[C@H](C)NC(C)=O 1757114876 GXAZLDDAIYLWIZ-ZLKJLUDKSA-N 321.377 -0.734 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@H](NC(=O)c2cnc(O)n2C)C1 1757197548 NHBSGCJFMRBWJY-KOLCDFICSA-N 308.338 -0.607 30 20 DBED NC(=O)NCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC1CC1 1793472308 SLCVYFKJWBZJGT-CLLJXQQHSA-N 318.377 -0.294 30 20 DBED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C=CCN1 1796316589 PWNSBTVJHZTNPI-FQLMCAECSA-N 317.389 -0.483 30 20 DBED C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)nc(O)n1 1796799945 HYIBEJOMODPUBX-ILWJIGKKSA-N 316.317 -0.227 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c(C)c1F)C2 1800451087 NLOZGDNUKBBGHT-DDFAGTSDSA-N 320.324 -0.306 30 20 DBED N#Cc1ccc(C(=O)N2CC3(CCCN3C(=O)C(O)O)C2)cc1 1841235869 ICHUQRYSILLBOC-UHFFFAOYSA-N 315.329 -0.314 30 20 DBED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)C2CC(O)C2)C1 1841303657 PVZOUPXBXLFQIW-UHFFFAOYSA-N 306.318 -0.951 30 20 DBED C[C@@H](C(=O)N1CC2(CCCN2C(=O)CC#N)C1)n1cnnn1 1842624481 ZFSBCCJJISZQIL-JTQLQIEISA-N 303.326 -0.649 30 20 DBED C#CCCC(=O)N1CC2(CCCN2C(=O)Cn2cnnn2)C1 1843085334 CYHXSTUFIYODBL-UHFFFAOYSA-N 302.338 -0.710 30 20 DBED N#CCCNC(=O)COC(=O)CN1C(=O)c2ccccc2C1=O 24766252 RSDCFQSPNHCCHT-UHFFFAOYSA-N 315.285 -0.144 30 20 DBED C=CCNC(=O)[C@@H](C)OC(=O)CCN1C(=O)NC(C)(C)C1=O 25039962 UFQMBDBIZZLWSE-SECBINFHSA-N 311.338 -0.059 30 20 DBED Cc1nc(C#N)c(N2CCN(C(=O)CN(C)C[C@H](C)O)CC2)o1 156304511 IUDXRQVIOURZBD-NSHDSACASA-N 321.381 -0.184 30 20 DBED Cn1c(N2CCC(CCC(N)=O)CC2)c(C#N)c(=O)n(C)c1=O 270920537 AQFRYFQMWATCQT-UHFFFAOYSA-N 319.365 -0.562 30 20 DBED N#CC1(CS(=O)(=O)N2CC[C@H](C(=O)O)[C@@H](C(=O)O)C2)CC1 275168742 VCQDVIROFUZCQO-IUCAKERBSA-N 316.335 -0.273 30 20 DBED C=CCN1CC[C@H](N2CCN(c3cnn(C)c3)C(=O)C2)C1=O 282007882 ODDFTAVKZMEBIM-ZDUSSCGKSA-N 303.366 -0.144 30 20 DBED C=CCN1CCC(NC(=O)C(=O)N2CC[C@@H](C)[C@@H]2CO)CC1 286692403 PLRLFKMVUBFIIJ-OCCSQVGLSA-N 309.410 -0.018 30 20 DBED CC(C)(CC(N)=O)NCCS(=O)(=O)c1ccc(C#N)cn1 289664058 CZBZVLLIPYHJQA-UHFFFAOYSA-N 310.379 -0.029 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC3(CCOC3)C2)C1=O 294293109 HMULTBKRHOGJOT-UHFFFAOYSA-N 307.306 -0.788 30 20 DBED N#Cc1cc(S(=O)(=O)N2C[C@@H](O)[C@@H](CO)C2)ccc1F 315962196 ACAXUHWMWBSMFO-BXKDBHETSA-N 300.311 -0.329 30 20 DBED CN(C)C(=O)Cn1nc2n(c1=O)CCN([C@H]1CC[C@@H](C#N)C1)C2 328841346 OSGDAUCWNKOPFM-NEPJUHHUSA-N 318.381 -0.359 30 20 DBED CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CC[C@@H](S(N)(=O)=O)C1 330634595 TYDCOYLTJJEEJW-WZRBSPASSA-N 316.427 -0.208 30 20 DBED COC(=O)[C@@H]1CCCN(/C(O)=N/CC(=O)N2CCOCC2)C1 330682395 QBWDJOFSXKDEQB-LLVKDONJSA-N 313.354 -0.356 30 20 DBED Cc1onc(CC(=O)N(C)CC(=O)N2CCOCC2)c1C#N 330732948 KCQUBDMIOGCJTA-UHFFFAOYSA-N 306.322 -0.286 30 20 DBED C[C@H](C(=O)N/C(O)=N/CC(F)(F)F)N1CCO[C@@H](CO)C1 331128123 FPTXJMDYUCOTKS-HTQZYQBOSA-N 313.276 -0.340 30 20 DBED CC(C)N1C(=O)C[C@@H](NC(=O)C(O)=Nc2ccnn2C)C1=O 331323419 MGDIHYYFVHOJOP-MRVPVSSYSA-N 307.310 -0.340 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)CCCS(=O)(=O)N(C)C 332471117 LOKVFWMBVQDWOA-JTQLQIEISA-N 311.429 -0.311 30 20 DBED N#Cc1ccc(NC(=O)CN2CCN(CC(N)=O)CC2)cc1 341224783 PXDZQWVBHVMOIH-UHFFFAOYSA-N 301.350 -0.400 30 20 DBED CN(C(=O)CNC(=O)c1ccc(C#N)cc1)[C@H]1COC[C@@H]1O 342438469 OFLBXHMVGKOGEV-STQMWFEESA-N 303.318 -0.494 30 20 DBED Cc1ccc2ncc(C(=O)NCCn3cnc(C#N)n3)c(=O)n2c1 342891022 XUTYAGCFNKBQIU-UHFFFAOYSA-N 323.316 -0.104 30 20 DBED Cc1cc(NC(=O)C(=O)NCCN(C)C2CC2)nn1CCC#N 348810448 MOCXFVCJUHORDN-UHFFFAOYSA-N 318.381 0.254 30 20 DBED C=CCN(C)C(=O)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O 355975336 FHZNNGOUPJTLQN-LLVKDONJSA-N 305.338 -0.714 30 20 DBED N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1[C@@H]2CNC[C@@H]21 366302087 GKYPNLNHJXGICC-GDGBQDQQSA-N 308.319 -0.037 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N[C@@H]2CCC[C@H](N)C2)nn1 424544408 KSEUSKZZSIKVSR-WDEREUQCSA-N 306.370 -0.534 30 20 DBED COc1cc(C#N)ccc1NC(=O)C(=O)N[C@H]1CC(=O)N(C)C1 545297040 XHCXROHVHVMFQQ-JTQLQIEISA-N 316.317 -0.148 30 20 DBED Cc1cc(NC(=O)C(=O)N(C[C@H](C)O)[C@H](C)CO)ncc1C#N 575070605 CKFFWNOJQYOBDV-MNOVXSKESA-N 320.349 -0.210 30 20 DBED C=CCCOCCNC(=O)C(=O)NC1CCN(CC#N)CC1 588124028 SLNJMVBEDBMRBF-UHFFFAOYSA-N 308.382 -0.201 30 20 DBED CN1C(=O)N[C@@]2(CCC[C@H]2CN=c2nc[nH]cc2C#N)C1=O 591918053 IZTFFNAAGJVAJI-IINYFYTJSA-N 300.322 -0.097 30 20 DBED N#Cc1cc(C(=O)NC[C@H](O)C(N)=O)cnc1C(F)(F)F 597586770 PUOFDSXCNLGPEH-ZETCQYMHSA-N 302.212 -0.452 30 20 DBED CCN1C[C@H](C)N(c2c(C#N)c(=O)n(C)c(=O)n2C)C[C@H]1C 611221699 VABYEWZKPBDUHW-MNOVXSKESA-N 305.382 -0.125 30 20 DBED C=CCCOCC(=O)N1CCCC[C@@H]1CNS(N)(=O)=O 615946316 YHJJVVHVLUNJAR-LLVKDONJSA-N 305.400 -0.247 30 20 DBED C=CCC[C@H](CO)NC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1 616101956 ULHKSAHJPWVXLO-GHMZBOCLSA-N 305.400 -0.655 30 20 DBED CCN1C(=O)[C@H]2CN(C(=O)NCC3(C#N)CC3)CCN2C1=O 619534470 NCANVYLVPFKXBP-SNVBAGLBSA-N 305.338 -0.032 30 20 DBED C=CCCOCC(=O)N1CCN(S(=O)(=O)NC(C)C)CC1 655101497 HSEPOHDHKXPRJP-UHFFFAOYSA-N 319.427 -0.034 30 20 DBED C=C(C)Cn1c(-c2cn(C)nn2)nnc1N1CC[C@@H](C(N)=O)C1 669332546 CURWDAUCPXYAOX-SNVBAGLBSA-N 316.369 -0.039 30 20 DBED C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CC[C@](F)(C#N)C1 682435474 UJJHLSVSNLRURC-CLAHSXSESA-N 323.328 -0.825 30 20 DBED C#CCNC(=O)[C@H](C)Sc1nc(O)cc(=O)n1CCOC 749777805 CLFBPNACEUDCDQ-VIFPVBQESA-N 311.363 -0.175 30 20 DBED C[C@H](NS(C)(=O)=O)C(=O)O[C@H](C)C(=O)N(C)CCC#N 758489928 VCOITCFKTKDUBH-DTWKUNHWSA-N 305.356 -0.772 30 20 DBED CN1CCC[C@H]1C(=O)N1CCN(CC(=O)NCCC#N)CC1 766145137 UEEAYCDTPIFZGA-ZDUSSCGKSA-N 307.398 -0.745 30 20 DBED C#CCOCCNC(=O)C(=O)Nc1ccc(C(N)=O)cc1F 785158300 SOESUVHWIGQVIK-UHFFFAOYSA-N 307.281 -0.371 30 20 DBED C#Cc1cncc(C(=O)N2CCN(CC(=O)NCC)CC2)c1 806414540 TWVJCSRCLRDVKT-UHFFFAOYSA-N 300.362 -0.043 30 20 DBED C=CCC1(S(=O)(=O)NC(=O)CN2CCCS2(=O)=O)CC1 810981468 COOJVOMEHWAYKK-UHFFFAOYSA-N 322.408 -0.423 30 20 DBED C#CCO[C@@H](C)C(=O)NC1CCN([C@@H]2CCN(C)C2=O)CC1 820632332 JNUOXAYXFJPUPS-GXTWGEPZSA-N 307.394 -0.164 30 20 DBED C=CCS(=O)(=O)CCNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 823932395 WPKWAXHTXHRHSP-UHFFFAOYSA-N 310.339 -0.475 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(C)ncn2)CC1 831565706 XZRRCPPVLGJEME-UHFFFAOYSA-N 323.378 -0.990 30 20 DBED Cc1ccc(S(N)(=O)=O)cc1C(=O)N[C@@H]1CNC[C@H]1C#N 834499083 FCMUBJHMVFQRPU-BXKDBHETSA-N 308.363 -0.516 30 20 DBED C=CCONC(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1 837046995 UDJSCMGLQDRMTN-ZDUSSCGKSA-N 311.382 -0.067 30 20 DBED C#CCOCCN1CCN(S(=O)(=O)CCCOC)CC1 851819700 ZEBULKXSPSRWFV-UHFFFAOYSA-N 304.412 -0.380 30 20 DBED Cn1cc(C(=O)NCCc2ccc(C#N)cc2)c(=O)n(C)c1=O 855225328 PGJFEQOQMCGILL-UHFFFAOYSA-N 312.329 -0.072 30 20 DBED C#CC[C@H](CCOC)NC(=O)CN1CCS(=O)(=O)CC1 863789470 NFUZCEQIHUNFPH-GFCCVEGCSA-N 302.396 -0.739 30 20 DBED C=CCN(C(=O)[C@H]1CC[C@@H](C(=O)O)O1)[C@@H]1CCS(=O)(=O)C1 864105606 ILXUQYNABPXGJI-MXWKQRLJSA-N 317.363 -0.180 30 20 DBED N#CCCN1CCN(C(=O)C(=O)N2CCC[C@@H](CN)C2)CC1 868385680 WVCXDMXGTGDMFG-ZDUSSCGKSA-N 307.398 -0.758 30 20 DBED C=CCN1CCC(NC(=O)C(=O)N(CC)[C@H]2CCNC2)CC1 884642281 FYDVONSBIYSQQZ-AWEZNQCLSA-N 308.426 -0.037 30 20 DBED C#CCSCC(=O)N1CCN(S(=O)(=O)NC(C)C)CC1 897951048 DBDGHKPSMLTFLK-UHFFFAOYSA-N 319.452 -0.260 30 20 DBED C=C(C)CN[C@@H]1CN(C(=O)CCn2cc[nH]c(=O)c2=O)C[C@H]1C 939327369 XZWLLTRNDOCCEQ-CHWSQXEVSA-N 320.393 -0.061 30 20 DBED N#Cc1cc(C(=O)N2CC[C@@H](NC(=O)[C@H]3CCC(=O)N3)C2)c[nH]1 939718972 QDXGDUJZTSOHLF-ZYHUDNBSSA-N 315.333 -0.504 30 20 DBED C[C@H](C#N)C(=O)N1CCCN(C(=O)Cn2cnnc2O)CC1 940810714 OYBCXRSLLNQDMU-SNVBAGLBSA-N 306.326 -0.796 30 20 DBED C#Cc1ccc(C(=O)N2CCCC[C@@H](NC(=O)C(N)=O)C2)nc1 943490568 HCCREQPEJBWAMI-GFCCVEGCSA-N 314.345 -0.341 30 20 DBED C#CCCN1CC[C@H](NC(=O)C2CC(=O)NC(=O)C2)[C@@H](C)C1 943546807 DZYBGJQSHMFDKL-AAEUAGOBSA-N 305.378 -0.111 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CN2C(=O)CCC2=O)[C@H](C)C1 944832871 XUQGNWOYHXKGAK-CHWSQXEVSA-N 305.378 -0.015 30 20 DBED CO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1NC(=O)c1csc(O)n1 945552285 DVFDKNBMNIFPOC-NQMVMOMDSA-N 324.362 -0.036 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]1CNC(=O)c1cnc2n1CCOC2 950776626 CMCLLSQZWXJYJO-MNOVXSKESA-N 317.349 -0.096 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@]2(CCN(C(=O)C3(C(N)=O)CC3)C2)C1 953210727 XMMZYLIGFNZUFN-IAQYHMDHSA-N 318.377 -0.137 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CCN(C(=O)CC(N)=O)CC1 954772106 HUHHUXZYZWEGGM-OLZOCXBDSA-N 323.393 -0.098 30 20 DBED N#CCN1C[C@@H](O)[C@H](CNC(=O)c2ccnc3ccnn23)C1 958136175 ZKOWAQNFEKPNHL-ZYHUDNBSSA-N 300.322 -0.725 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CC)C1 958353223 HXKVACWCJAGYIH-IHRRRGAJSA-N 307.394 -0.476 30 20 DBED C#CCCN1C[C@@H](O)[C@@H](CNC(=O)c2ccc(OC)nn2)C1 958570609 MPYPEWGLRQMAQM-WCQYABFASA-N 304.350 -0.469 30 20 DBED C#CCCN1C[C@H]2C(NC(=O)CN3C(=O)CC(C)(C)C3=O)[C@@H]2C1 959888914 BKRUALJVRKKQES-VXGBXAGGSA-N 317.389 -0.159 30 20 DBED CC(C)(F)C(=O)N[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1O 961139660 GZQCSUHFSCDXRQ-MNOVXSKESA-N 308.313 -0.064 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CN(C(=O)c3cn[nH]c3)C[C@@H]2O)c[nH]1 962388264 UZVAYJGVNPBLAM-NEPJUHHUSA-N 314.305 -0.775 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC2(C1)CN(C(=O)[C@H]1CCCO1)C2 965470993 ITGHKMPKFJGAJR-NWDGAFQWSA-N 307.350 -0.235 30 20 DBED O=C(C#CC1CC1)N1C[C@H](O)[C@H](NC(=O)C2(F)CCOCC2)C1 967174059 BGDJYAFXEHASOS-OLZOCXBDSA-N 324.352 -0.394 30 20 DBED C[C@H](NC(=O)c1ccc(C#N)[nH]1)C1CN(Cc2nnnn2C)C1 969513752 GYRPTMADIARECX-VIFPVBQESA-N 314.353 -0.340 30 20 DBED CC#CCN1CCO[C@]2(CCN(C(=O)[C@H]3COCCN3C)C2)C1 972348004 DRHIPHKZXCDCGZ-NVXWUHKLSA-N 321.421 -0.356 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CCOC2)C1 973079898 AUGKLTSIJFHGSG-AJNGGQMLSA-N 319.405 -0.116 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)CC(N)=O)C[C@H]21 975253595 IAJASQDHLYWJFD-LPWJVIDDSA-N 321.377 -0.488 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H]1[C@@H]2CN(CCCO)C[C@H]12 978287099 YJEIDQLRRWELPS-JONQDZQNSA-N 305.422 -0.240 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCCN([C@@H]3CCC(=O)NC3=O)C2)C1 981671744 GLOYYYIMBWFTDP-NWDGAFQWSA-N 318.377 -0.124 30 20 DBED C#CCCN1C[C@@]2(C)CN(C(=O)[C@H]3CNC(=O)N3)C[C@@]2(C)C1 982495779 FHYXESXGCOTKKN-WQVCFCJDSA-N 304.394 -0.139 30 20 DBED O=C1N[C@H](C(=O)NC[C@H]2CCN(C(=O)C#CC3CC3)C2)CO1 982741350 HACZILAKNFQGHM-NEPJUHHUSA-N 305.334 -0.527 30 20 DBED N#CCN1CCCN(C(=O)c2cc(=O)n3[nH]cnc3n2)CC1 989476921 ACPHERHKAGZJSY-UHFFFAOYSA-N 301.310 -0.911 30 20 DBED N#Cc1ccc(C(=O)NC2CN(C(=O)[C@@H]3CC[C@@H]3C(N)=O)C2)[nH]1 990868081 IMUKHEXUPPWOSM-WDEREUQCSA-N 315.333 -0.662 30 20 DBED CC#CCN1CC[C@@]2(NC(=O)C[C@@H]3NC(=O)NC3=O)CCC[C@H]12 991098783 CYDKLUKZYVHSCL-MKBNYLNASA-N 318.377 -0.279 30 20 DBED N#CCN1CC[C@]2(NC(=O)CN3CCNC(=O)C3)CCC[C@@H]12 992086626 SBSQAJFWNBDOAF-IUODEOHRSA-N 305.382 -0.945 30 20 DBED C#CCN[C@@H]1CCC[C@H]2CN(C(=O)C3CS(=O)(=O)C3)C[C@H]21 992707276 HCLIZARFVBBXHT-IACUBPJLSA-N 310.419 -0.119 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CN(C(=O)c3nc[nH]n3)C[C@@]2(C)C1 993350935 VNFPNUWEFAZPTN-PKFCDNJMSA-N 302.338 -0.115 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H](NCCN2C(=O)CCC2=O)C1 998744260 ALSBNURXZBQCRX-NWDGAFQWSA-N 306.366 -0.124 30 20 DBED CN(C(=O)[C@@H]1CCc2nnc(O)n2C1)C1CC(NCC#N)C1 999008577 DDLSBTCIAITMER-KPPDAEKUSA-N 304.354 -0.351 30 20 DBED C=C1CC(C)(C(=O)NC2CN(C(=O)CN3CCNC(=O)C3)C2)C1 999290859 PPIQDCWMUZESKJ-UHFFFAOYSA-N 320.393 -0.899 30 20 DBED N#Cc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)C(N)=O)c[nH]1 999867702 ZUTKACFABQYKSY-VWYCJHECSA-N 301.306 -0.767 30 20 DBED C[C@H](C#N)C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cn1cncn1 1000618933 NYXQMJKCWXUGMP-WYUUTHIRSA-N 302.338 -0.314 30 20 DBED CC(=O)N1CCC[C@H](C(=O)NCC2CN(C(=O)[C@H](C)C#N)C2)C1 1003184002 YNLCCODUPLQECE-RISCZKNCSA-N 320.393 -0.021 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC(CNC(=O)c3cnon3)C2)c1 1003807899 KCVLWMJKIYPPPQ-UHFFFAOYSA-N 300.278 -0.229 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](NC(=O)Cn2ncnn2)C(C)(C)C1 1008176498 OYVNUCJTFVZOKJ-VHSXEESVSA-N 305.342 -0.814 30 20 DBED C=C1CC(C)(C(=O)N2C[C@H]3C(NC(=O)Cn4cnnn4)[C@@H]3C2)C1 1012756407 XTXXRJRBSGKWSC-GHMZBOCLSA-N 316.365 -0.398 30 20 DBED Cc1nc(CC(=O)NC2[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]23)n[nH]1 1013062431 DGGNKALLVZOVKE-VXGBXAGGSA-N 313.361 -0.358 30 20 DBED Cc1ncnc(O)c1C(=O)NC1[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]12 1013620728 QBVGLPNRQIYTFY-FXBDTBDDSA-N 315.333 -0.163 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)C2(n3cnnn3)CCOCC2)C1 1015821753 AHEXXKKKHGWBOQ-CYBMUJFWSA-N 320.397 -0.055 30 20 DBED C#CCCN1CC[C@@H](NC(=O)Cn2nc3n(c2=O)CCCC3)C1 1015957156 PPOVWNHUWZYBCE-CYBMUJFWSA-N 317.393 -0.405 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCN(C(=O)CN3CCCC3=O)C2)C1 1019361285 BGCCCBDMCSRFCL-GFCCVEGCSA-N 318.377 -0.171 30 20 DBED Cc1cnn(CC(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2O)c1 1023151368 GIZBHYYSBOZRQF-QJPTWQEYSA-N 305.338 -0.961 30 20 DBED C#CCN1CCC[C@@H](CNC(=O)C2CC3(C2)NC(=O)NC3=O)C1 1023641236 WJBHQNUVBVPVTF-FZWSLVFFSA-N 318.377 -0.564 30 20 DBED Cn1[nH]c(CNC[C@@H]2CCCN(C(=O)C#CC3CC3)C2)nc1=O 1023979952 WFJDQZZCBPSUCP-ZDUSSCGKSA-N 317.393 -0.150 30 20 DBED N#Cc1c[nH]c(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC34CC4)C2)c1 1025788920 XPYFDSLJJFOHSL-RAIGVLPGSA-N 314.345 -0.012 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)c2cn3c(n2)COCC3)C1 1035418368 CTIBILUEMPIUDK-LBPRGKRZSA-N 304.350 -0.523 30 20 DBED N#CCN1CCO[C@H](CNC(=O)c2ccc3oc(O)nc3n2)C1 1035578164 VGNCOVJHOHDLNM-SECBINFHSA-N 317.305 -0.117 30 20 DBED Cn1c(O)ncc(C(=O)N2CCC3(CC2)CN(CC#N)C3)c1=O 1035763932 AVQGTRWGAWFIJH-UHFFFAOYSA-N 317.349 -0.453 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCN1Cc1nc(=O)n(C)[nH]1 1038708458 QGYYZGBAPCWKQU-TUAOUCFPSA-N 321.381 -0.610 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)c2cnnc(O)c2)C1 1040130761 UESPDHKNJDRJFI-OTYXRUKQSA-N 319.321 -0.965 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(O)(CNC(=O)C(F)F)C1 1041082651 YKXUOGRQAWBBQY-BDAKNGLRSA-N 304.293 -0.468 30 20 DBED N#Cc1cc(C(=O)N2CC(O)(CNC(=O)C3CCC3)C2)c[nH]1 1041100519 OMLXHBTXCNQOGV-UHFFFAOYSA-N 302.334 -0.010 30 20 DBED C#CCCN1CC(N(C)C(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 1042719292 MSBPXFAWLOZHPK-LBPRGKRZSA-N 315.377 -0.072 30 20 DBED CC(C)(C)C#CC(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1042976560 IMKWBUVWZYQURH-GHMZBOCLSA-N 323.349 -0.609 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)Cn3cccn3)C2)nc1 1043860195 NWOZZXODAVVWIY-OLZOCXBDSA-N 312.333 -0.484 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)c2cc(Cl)no2)C1 1045551756 LGVQPVNHQRBEAC-ZETCQYMHSA-N 312.713 -0.209 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]2CC[C@@H](C1)N2Cc1nnnn1C 1045735539 OQUWBBJXFUQTMR-UTUOFQBUSA-N 303.370 -0.065 30 20 DBED C#CCN1CC[C@H](N2CCN(C(=O)C[C@@H]3CCC(=O)N3)CC2)C1 1046069098 AWIYFFRJCKJAQI-GJZGRUSLSA-N 318.421 -0.493 30 20 DBED CN1CC[C@@H](C(=O)N[C@@]2(C)CCN(CC#N)C2)S1(=O)=O 1046700265 ZMGZADYLXJXLAV-JQWIXIFHSA-N 300.384 -0.876 30 20 DBED C=CCCC(=O)N(C)[C@H]1CN(C(=O)c2cnn(C)n2)C[C@@H]1O 1048522419 ABMARRBQCZUGOG-RYUDHWBXSA-N 307.354 -0.575 30 20 DBED N#Cc1ccc(N(CCO)[C@H]2CCCN(C(=O)C(N)=O)C2)nc1 1049164645 RDHAWUOTPYDPQR-LBPRGKRZSA-N 317.349 -0.772 30 20 DBED C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC(=O)NC(=O)N1 1049752960 IGXMQZFQQBCXTA-SRVKXCTJSA-N 304.350 -0.717 30 20 DBED C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)CN1C(=O)CNC1=O 1049886656 SUDXNLJYVAZFNY-RYUDHWBXSA-N 306.366 -0.211 30 20 DBED C=CCN1CCC2(CC1)CN(C(=O)Cn1c(O)nnc1O)C2 1050741169 FABCBNYDYHMVGN-UHFFFAOYSA-N 307.354 -0.200 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)c1cnc(O)cc1OC 1051113978 CNOQHVQYKUYMTL-LLVKDONJSA-N 305.334 -0.140 30 20 DBED CC#CCN1CCOC[C@H]1CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1 1051117354 ZPACPHJKRLPRRQ-HZSPNIEDSA-N 307.394 -0.272 30 20 DBED C=CCOCC(=O)N[C@H](C)[C@@H]1CCN(C(=O)c2cnn[nH]2)C1 1051130616 SOOUCCXFRZCHKB-GHMZBOCLSA-N 307.354 -0.026 30 20 DBED N#Cc1cncc(N2CC[C@@H](NC(=O)c3cnco3)[C@H](O)C2)n1 1051754240 MIMHMSKEKCUKKO-GHMZBOCLSA-N 314.305 -0.294 30 20 DBED N#CCN1CC2(C1)CN(C(=O)[C@@H]1C[C@H]1c1cnc[nH]1)CCO2 1053292044 RSUCEZIRYZHEPE-VXGBXAGGSA-N 301.350 -0.050 30 20 DBED C=CCn1cc(C(=O)N2CCOC3(CN(C[C@H](C)O)C3)C2)nn1 1053464066 XXGHWERNFRZGFX-LBPRGKRZSA-N 321.381 -0.628 30 20 DBED COCc1nc(C(=O)N2CCOC3(CN(CC#N)C3)C2)co1 1053488949 NQBQVAUIQOYFCB-UHFFFAOYSA-N 306.322 -0.129 30 20 DBED N#CCN1CC2(CC[C@H](CNC(=O)c3cc4n(n3)CCO4)O2)C1 1053609828 FWZVWYAPHUXVFQ-LLVKDONJSA-N 317.349 -0.238 30 20 DBED C=CCOCC(=O)N1C[C@@H]2CN(C(=O)c3cnnn3C)C[C@@H]2C1 1055248659 WYJWHRBIOUJMKP-TXEJJXNPSA-N 319.365 -0.452 30 20 DBED N#Cc1cnc(N2CCN(C(=O)Cn3ccccc3=O)CC2)cn1 1055813879 XFQQIZUFKQGLOT-UHFFFAOYSA-N 324.344 -0.141 30 20 DBED N#Cc1nccnc1N1C[C@H]2[C@H](NC(=O)Cc3ncc[nH]3)[C@H]2C1 1056277297 SZBHMYPIFOZBJK-MSRIBSCDSA-N 309.333 -0.135 30 20 DBED N#Cc1ccc(N[C@@H]2CCN(C(=O)[C@@H]3COCCO3)C2)nn1 1056557088 RBCYKNVZROJQRF-NEPJUHHUSA-N 303.322 -0.224 30 20 DBED C#CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)c1ccccn1 1056794966 WAVKFFXGCYUXMD-ZDUSSCGKSA-N 319.361 -0.329 30 20 DBED C=CCCO[C@@H](C)C(=O)NCCN(CCO)C(=O)c1cn[nH]c1 1057073808 GXRWMBKTVHUQJX-LBPRGKRZSA-N 324.381 -0.058 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)[C@@H]1C[C@@H]1OCC 1057087835 SHTCJFCRWFRBSS-OLZOCXBDSA-N 314.382 -0.449 30 20 DBED CO[C@H](C)C(=O)N(CCO)CCNC(=O)c1cc(C#N)c[nH]1 1057112959 VEZQWJQTVRYDSE-SNVBAGLBSA-N 308.338 -0.528 30 20 DBED Cc1cnn(C)c1C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N 1058662910 CGYZXKGPFBKEEU-JTQLQIEISA-N 307.354 -0.561 30 20 DBED C[C@@H](C#N)C(=O)NCC[C@@H]1CCN(C(=O)CC(=O)N(C)C)C1 1059666547 MMNTVYYMAASGKL-NWDGAFQWSA-N 308.382 -0.021 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CC[C@H](NC(=O)Cn2cnnn2)CC1 1060659764 NVAWBAKAHHOLDK-SRVKXCTJSA-N 319.369 -0.376 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)CSCC#N 1061317895 LXHCXOJIUPVFRC-QWRGUYRKSA-N 310.379 -0.254 30 20 DBED CC(C)C#CC(=O)NC[C@H]1COCCN1C(=O)Cc1ncc[nH]1 1061566720 SNULLKQNBOXQJM-ZDUSSCGKSA-N 318.377 -0.045 30 20 DBED C=CCOCC(=O)NCC1(NC(=O)Cc2nc[nH]n2)CCC1 1062703634 KFCITJGYQVIIFM-UHFFFAOYSA-N 307.354 -0.295 30 20 DBED C#CCNC(=O)CC(=O)NCC1(NC(=O)C#CC(C)C)CCC1 1062829273 GPYLSVXMCDEMAK-UHFFFAOYSA-N 317.389 -0.060 30 20 DBED O=C(C#CC1CC1)NC1(CNC(=O)Cn2cnnc2O)CCC1 1062831738 RGMSJYHJEIDVNX-UHFFFAOYSA-N 317.349 -0.448 30 20 DBED CN(C(=O)[C@H]1C[C@H]1C(N)=O)[C@@H]1CCN(c2ccc(C#N)nn2)C1 1063031738 FFIUQHURRNEPDX-UTUOFQBUSA-N 314.349 -0.493 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(C(=O)[C@H]2CCCO2)CCO1 1064815722 ZCPOJFFKRYVSOB-ZIAGYGMSSA-N 306.362 -0.078 30 20 DBED C=CCCOCC(=O)N1CCO[C@@H](CNC(=O)c2ncc[nH]2)C1 1065278874 PSQCNAIUFSHJKB-LBPRGKRZSA-N 322.365 -0.040 30 20 DBED C#Cc1ccc(C(=O)N2CCO[C@@H](CNC(=O)C(N)=O)C2)cc1 1065416788 XWNNJCPUUCDHMD-ZDUSSCGKSA-N 315.329 -0.890 30 20 DBED COCCC(=O)N1CCN([C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)CC1 1065711191 JESQXVPMEJEPPI-UONOGXRCSA-N 322.409 -0.072 30 20 DBED N#Cc1cc(C(=O)N2CCC[C@@H](NC(=O)CC(N)=O)CC2)c[nH]1 1066008538 OTMAAGGSOQZSJA-LLVKDONJSA-N 317.349 -0.127 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC[C@H](NC(=O)c2cnn[nH]2)CC1 1066301014 NFSRZKYXMAXQRH-NEPJUHHUSA-N 319.365 -0.046 30 20 DBED N#Cc1cncc(N2C[C@H](CNC(=O)c3ccc[nH]3)[C@@H](O)C2)n1 1067657177 XYORPRWMCNGFDK-GWCFXTLKSA-N 312.333 -0.097 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCCN(C)C(=O)[C@H](C)S(C)(=O)=O 1067739281 GFXIKEKVAYXIMB-QWRGUYRKSA-N 317.411 -0.114 30 20 DBED C=CCOCC(=O)N1CC2(C1)CN(C(=O)c1cocn1)CCO2 1068350856 DXOOFFGAWXZSCM-UHFFFAOYSA-N 321.333 -0.069 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1COC2(C1)CN(C(=O)c1cnn(C)n1)C2 1069004531 WTNNKCPVSQPLON-NXEZZACHSA-N 318.337 -0.926 30 20 DBED C[C@@H]1C[C@@H](Nc2cncc(C#N)n2)CN1C(=O)CS(C)(=O)=O 1069042004 QVQDUKHLGGKQIB-NXEZZACHSA-N 323.378 -0.206 30 20 DBED CN1CCO[C@@H](C(=O)N2CCC[C@@H](NC(=O)C#CC3CC3)C2)C1 1070586083 XABRDASSOAWHPL-HUUCEWRRSA-N 319.405 -0.162 30 20 DBED C=C1CC(C)(C(=O)N[C@H]2CN(C(=O)CNC(N)=O)C[C@@H]2C)C1 1071571073 YRYFLVZLHCGYDD-QWRGUYRKSA-N 308.382 -0.026 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(C(=O)CN2CCOCC2)C[C@H]1C 1071917397 AUYYFYPPLFRSRB-HUUCEWRRSA-N 321.421 -0.059 30 20 DBED CC#CCN1C[C@H](NC(=O)Cn2nc(C)n(C)c2=O)CC[C@H]1C 1072033606 OFZNCPBTBZVXSP-TZMCWYRMSA-N 319.409 -0.117 30 20 DBED CC#CCN1CCCO[C@@H](CNC(=O)[C@@H]2CCN(C)C2=O)C1 1073732060 GMKJJSGYTNYMFR-KBPBESRZSA-N 307.394 -0.305 30 20 DBED C=CCN1CCO[C@H]2CCN(C(=O)CCn3cnnn3)C[C@H]21 1074365802 KDKMITKBKJIDPU-OLZOCXBDSA-N 306.370 -0.449 30 20 DBED C#CCCCC(=O)N1CC[C@@H](NC(=O)CNC(N)=O)C[C@@H]1C 1074819472 UEXMGVJGKMSYHW-NWDGAFQWSA-N 308.382 -0.046 30 20 DBED C#CCN[C@H]1CCN(C(=O)C[C@@]2(C)CCS(=O)(=O)N2)[C@H]1C 1075072926 IJAGNHMNOADCBW-SGMGOOAPSA-N 313.423 -0.330 30 20 DBED N#CCN1C[C@@H]2CCN(C(=O)[C@@H]3CN4CC5CC4(CO3)C5)[C@@H]2C1 1076070330 DXPSHQJAGVPALY-HJTLVLNNSA-N 316.405 -0.094 30 20 DBED C[C@@H](CCNC(=O)c1ccc(C#N)[nH]1)NC(=O)Cn1cnnn1 1076177798 QCKWYFTVKGQPDY-VIFPVBQESA-N 316.325 -0.802 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)CN(C)CCC 1076219131 VLXZJZKODANDTM-ZDUSSCGKSA-N 324.425 -0.521 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H]3CN(C[C@H](C)O)C[C@H]32)nn1 1076336092 JVMHIMILJSRHPZ-SGMGOOAPSA-N 305.382 -0.009 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)c2ccc(NC(N)=O)cc2)C1 1078130021 JRUTXOWVFDURTB-ZIAGYGMSSA-N 316.361 -0.025 30 20 DBED C[C@@H](C#N)C(=O)N1CCCO[C@H](CNCc2nncn2C)C1 1078359714 CHNGGYHKZIHORZ-NWDGAFQWSA-N 306.370 -0.318 30 20 DBED C[C@@H](C#N)C(=O)NCCCCCN1CCN(C(=O)C(N)=O)CC1 1079165736 FNTUAHAVXKFBRK-LBPRGKRZSA-N 323.397 -0.938 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(N(CC)C(=O)C2=COCCO2)C1 1079248591 FIPZDURXLBBCSX-GFCCVEGCSA-N 322.361 -0.028 30 20 DBED CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)[C@@H]2CCC(=O)NC2)C1 1080421936 VOEMADVPALKCQW-WDEREUQCSA-N 306.366 -0.268 30 20 DBED C#CCCN1C[C@@H](NC(=O)[C@@H]2COCCN2C(C)=O)[C@H](C)C1 1080968761 OOLHRUCYPZTNDB-YUELXQCFSA-N 307.394 -0.307 30 20 DBED C=C1CCC(C(=O)N2CCC(CO)(NC(=O)C(N)=O)CC2)CC1 1080976483 ZNTNDMZGWSFCJM-UHFFFAOYSA-N 323.393 -0.312 30 20 DBED C#CCCCC(=O)N1C[C@H](CNC(=O)C2=COCCO2)[C@@H](O)C1 1081218087 PHRAGMCALXXGSH-STQMWFEESA-N 322.361 -0.386 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)c2n[nH]c(C)c2O)C[C@@H]1O 1081334765 CHTCTPAGOFTQGT-QWRGUYRKSA-N 322.365 -0.061 30 20 DBED O=C(Cc1ccon1)NC[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 1081365088 KVEHAKJJENCMPL-JSGCOSHPSA-N 317.345 -0.434 30 20 DBED C=CCCC(=O)N1C[C@H](CNC(=O)Cc2nnc(C)o2)[C@@H](O)C1 1081454606 BZUPUJGUOXYSAS-RYUDHWBXSA-N 322.365 -0.178 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(C(=O)c2ncccn2)C[C@@H]1O 1081471258 LFZDNLUYEUGEQJ-STQMWFEESA-N 314.345 -0.561 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1nnc2ccccc2n1 1081950832 PWZRWUQKKAHGEW-CHWSQXEVSA-N 312.333 -0.023 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CN(C(C)C)CCO1 1083174805 ZJXOOMJTYQVTKD-ARFHVFGLSA-N 321.421 -0.360 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCCN2C(=O)C(C)(C)C)C1 1083483560 YXCGTFBCVAZMOH-RDBSUJKOSA-N 321.421 -0.182 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCCCS2(=O)=O)C1 1083521919 MJSZWRHETHRQNQ-WOPDTQHZSA-N 302.396 -0.699 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCn3c(cnc3C)C2)C1 1083781143 WKDCWJKGMDPCNR-CFVMTHIKSA-N 302.378 -0.452 30 20 DBED C#CCN1CC[C@H]1CN(C)C(=O)C1CC2(C1)NC(=O)NC2=O 1085868229 JUPCVVMXTBVKJS-VTWZXRTESA-N 304.350 -0.860 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(Cc2nnnn2C)[C@@H]1C 1088868135 MFIIAGNBPVIAIB-NDBYEHHHSA-N 320.397 -0.120 30 20 DBED C#CCN1CC[C@H](NC(=O)Cc2c(C)nc(O)nc2O)[C@H]1C 1088938135 XQPAALIBYSEZLL-PWSUYJOCSA-N 304.350 -0.049 30 20 DBED N#CCN1C[C@@H]2[C@@H]3CC[C@@H](CN3C(=O)Cn3ncnn3)[C@H]2C1 1089816365 OFZFOSMGVGSRQI-RNJOBUHISA-N 301.354 -0.635 30 20 DBED C#CCN1CC[C@H](NC(=O)c2nnn(C(C)(C)C)n2)[C@@H](O)C1 1090280425 TVXDLZVFCDTKBL-QWRGUYRKSA-N 306.370 -0.774 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2cc3c([nH]2)CCOC3)[C@@H](O)C1 1090316136 MOPINBITJJCCHK-OCCSQVGLSA-N 304.350 -0.224 30 20 DBED C=CCCN1CC[C@H](NC(=O)CN2CCCNC2=O)[C@H](O)C1 1090387736 ARKYUKRGHVDANN-QWHCGFSZSA-N 310.398 -0.471 30 20 DBED N#Cc1cnc(N2C[C@@H](O)[C@H](NC(=O)C3(CF)CC3)C2)cn1 1090528191 NJABROYWCOKIRU-GHMZBOCLSA-N 305.313 -0.236 30 20 DBED CO[C@@H](C(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1O)C(C)C 1090535497 VEYIYCPDIZXHTD-YRGRVCCFSA-N 319.365 -0.315 30 20 DBED C#CCN1CC[C@H](NC(=O)c2nnn(C(C)C)c2C)[C@H](O)C1 1090685688 KIJSAJDNAOWVHY-QWHCGFSZSA-N 305.382 -0.034 30 20 DBED CNC(=O)c1cccc(C(=O)N[C@@H]2CCN(CC#N)C[C@@H]2O)n1 1090767384 JDKYQFDIBKHNSB-MFKMUULPSA-N 317.349 -0.870 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2ccc(C(N)=O)cc2)[C@@H](O)C1 1090802691 RHRULVCFZQIGOU-KGLIPLIRSA-N 301.346 -0.416 30 20 DBED COCC(=O)N[C@@H]1CN(c2nc(Cl)c(C#N)s2)C[C@@H]1O 1091062308 JJCMEBXNXURLQW-RQJHMYQMSA-N 316.770 -0.020 30 20 DBED COCC[C@H](C)C(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1091109539 ZYZFEAIHTYFOPK-UHTWSYAYSA-N 319.365 -0.313 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(c2cccc(F)n2)C[C@@H]1O 1091153225 WQNCJBDRHDMYIA-TUAOUCFPSA-N 307.325 -0.075 30 20 DBED CS(=O)(=O)CC(=O)NC1[C@@H]2CN(c3ccncc3C#N)C[C@@H]12 1093225801 KIIZHLAXDYDXMH-GHMZBOCLSA-N 320.374 -0.451 30 20 DBED C[C@H](CC(N)=O)C(=O)NC1[C@H]2CN(c3nccnc3C#N)C[C@H]12 1093332201 YIHJEQJBSBUDMQ-UTLUCORTSA-N 314.349 -0.589 30 20 DBED CS(=O)(=O)C1(C(=O)NCCNc2cnc(C#N)cn2)CCC1 1093827180 TYHAIRMIFXQHQR-UHFFFAOYSA-N 323.378 -0.156 30 20 DBED N#Cc1nccnc1NCCNC(=O)c1ccoc1CC(N)=O 1094069244 KWSGBXHWWILAMQ-UHFFFAOYSA-N 314.305 -0.189 30 20 DBED Cn1cnc2ccc(C(=O)NCCN=c3cc[nH]c(C#N)n3)nc21 1094116791 QXRHWDBCILTXBP-UHFFFAOYSA-N 322.332 -0.106 30 20 DBED Cc1cc(=NCCNC(=O)[C@H]2CC(=O)N(C)C2)c(C#N)c[nH]1 1094190682 SVWNKNYTPIXWSU-NSHDSACASA-N 301.350 -0.310 30 20 DBED Cc1cc(=O)c(C(=O)NCCCN=c2cc[nH]c(C#N)n2)c[nH]1 1094557654 MLJONSCMVFEZSV-UHFFFAOYSA-N 312.333 -0.001 30 20 DBED Cc1nc(NCCCNC(=O)Cn2ncnn2)ccc1C#N 1094598677 UCTAYIFYLCKFQK-UHFFFAOYSA-N 300.326 -0.133 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)c3cncnc3)CC2=O)C1 1094726479 QLOYOPCCWAMXBU-LBPRGKRZSA-N 301.350 -0.323 30 20 DBED C#CCCN1CC(N2C[C@H](NC(=O)C3=CCOCC3)CC2=O)C1 1094730504 CRUGBWOUPOMFNM-CQSZACIVSA-N 317.389 -0.242 30 20 DBED CN1CCC(C(=O)N[C@@H]2CC(=O)N(C3CN(CC#N)C3)C2)CC1 1094777647 ZUVDJHWVBIFKDL-CYBMUJFWSA-N 319.409 -0.747 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)c3ccn(CC)n3)CC2=O)C1 1094791444 DOWGFZCNSGZIQK-LBPRGKRZSA-N 315.377 -0.449 30 20 DBED C[C@@H](CC(=O)N1CC[C@@H](Nc2ccc(C#N)nn2)C1)NC(N)=O 1095062141 RZXOABXNXHBFLU-GXSJLCMTSA-N 317.353 -0.192 30 20 DBED C#CCNC(=O)CC(=O)NCCCN(C)c1nc(C)ns1 1095523821 UKDXOJSUVIYXTE-UHFFFAOYSA-N 309.395 -0.071 30 20 DBED CN(CCCNC(=O)[C@H]1CCNC1=O)c1cncc(C#N)n1 1095696749 LRHHXQVKYLNVSO-LLVKDONJSA-N 302.338 -0.573 30 20 DBED Cc1nc(N(C)CCCNC(=O)[C@H]2CNC(=O)N2)ccc1C#N 1095715951 YUQNWXZEMWNCGR-GFCCVEGCSA-N 316.365 -0.114 30 20 DBED CNC(=O)CC(=O)N1[C@H]2CC[C@H]1CN(c1nccnc1C#N)C2 1096889708 KRDQNLHZUNZDHA-QWRGUYRKSA-N 314.349 -0.336 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@H](C)Nc1nccn2nnnc12 1097794071 JCEZPTXGUTURHL-RNCFNFMXSA-N 305.342 -0.237 30 20 DBED Cc1cc(C#N)nc(N[C@H](C)CNC(=O)[C@@H]2CN(C)C(=O)N2)n1 1098213497 JKFGGVOSPJMDEB-KOLCDFICSA-N 317.353 -0.403 30 20 DBED C#CCCN(CCO)C1CCN(C(=O)C[C@@H]2CCC(=O)N2)CC1 1098498381 OITIJTPTWYXXSI-AWEZNQCLSA-N 321.421 -0.036 30 20 DBED CC(=O)NCC(=O)N1CCC[C@H](N(C)c2cnc(C#N)cn2)C1 1098667983 QPOVDJRCCZJACZ-ZDUSSCGKSA-N 316.365 -0.088 30 20 DBED N#CCNCc1cn([C@H]2CCN(C(=O)c3cnco3)C2)nn1 1098695392 VMAGNSXPTKOESB-NSHDSACASA-N 301.310 -0.034 30 20 DBED C#CCCCC(=O)N[C@H]1CCN(CC(=O)N(C)CC)C[C@@H]1O 1099806846 HDVWMBLXDRSADV-KBPBESRZSA-N 309.410 -0.180 30 20 DBED C=CCCCC(=O)N[C@H]1CCN(Cc2nnnn2C)C[C@H]1O 1099977250 WTZWIEHZRXUEQG-NWDGAFQWSA-N 308.386 -0.382 30 20 DBED CC#CCN1CC[C@H](NC(=O)CC(=O)NCC2CC2)[C@@H](O)C1 1100069107 HQBZJTLALPQBTL-KBPBESRZSA-N 307.394 -0.523 30 20 DBED Cc1cc(C#N)nc(N(C)CCNC(=O)c2cnn(C)c2N)n1 1100071176 XWMNFKFKKPHVAT-UHFFFAOYSA-N 314.353 -0.161 30 20 DBED COCC#CCNC1CC(CNC(=O)[C@H]2COCCN2C)C1 1100253824 UNRUTHMPGWIBIE-YMAMQOFZSA-N 309.410 -0.549 30 20 DBED CC[C@H](NC(C)=O)C(=O)NCCN(C)c1ccc(C#N)nn1 1100340035 MGLZNKKVAPRBQF-LBPRGKRZSA-N 304.354 -0.185 30 20 DBED CCN(CCNC(=O)[C@@H]1COCCN1C)c1ccnc(C#N)n1 1100491862 TXAMWTPCBPXLTJ-LBPRGKRZSA-N 318.381 -0.379 30 20 DBED C#CCNC(=O)CC(=O)NCCN(CC)c1cc(C)ncn1 1100492702 OASKNHJEXRPMDP-UHFFFAOYSA-N 303.366 -0.133 30 20 DBED CNC(=O)CC(=O)NC[C@H]1CCCN1c1nc(C)cc(C#N)n1 1100816084 NILYYOHYVXWJLQ-GFCCVEGCSA-N 316.365 -0.122 30 20 DBED N#Cc1nccc(N2CC[C@@H](CNC(=O)Cn3cncn3)C2)n1 1100982111 SWEVDDAZWOHHFK-NSHDSACASA-N 312.337 -0.418 30 20 DBED CN(C(=O)CS(C)(=O)=O)[C@H]1CCN(c2cnc(C#N)cn2)C1 1102683478 DXOACDWIBNAHJY-NSHDSACASA-N 323.378 -0.570 30 20 DBED CNC(=O)NCC(=O)N(C)[C@@H]1CCN(c2cnc(C#N)cn2)C1 1102767380 ZNZNFWZUOMWDPC-LLVKDONJSA-N 317.353 -0.686 30 20 DBED CC[C@@H](CNC(=O)[C@@]1(C)CNC(=O)C1)N=c1cc[nH]c(C#N)n1 1103244519 RBSQITUPEUCERA-ZUZCIYMTSA-N 316.365 -0.397 30 20 DBED Cc1nonc1C(=O)NC[C@@H](C)CN=c1cc[nH]c(C#N)n1 1104003690 FTHNCZJZKDTUMA-QMMMGPOBSA-N 301.310 -0.060 30 20 DBED Cc1nc(N2CCO[C@H](CNC(=O)C(N)=O)C2)ccc1C#N 1104344580 CNEPXGNNRZSTPP-LLVKDONJSA-N 303.322 -0.932 30 20 DBED C#CCCCC(=O)N1CC(n2cc(CNCCCO)nn2)C1 1105225498 VQZYKBLBMFJZEH-UHFFFAOYSA-N 305.382 -0.063 30 20 DBED C#CCNCc1cn(C2CN(C(=O)[C@@H](CC)N(C)C)C2)nn1 1105268483 PHTDKZRINRDCJA-CQSZACIVSA-N 304.398 -0.276 30 20 DBED CN1C[C@H](C(=O)N(C)CCN(C)c2ccnc(C#N)n2)NC1=O 1105536120 MXCFPVRDBURABK-SNVBAGLBSA-N 317.353 -0.734 30 20 DBED Cc1cc(C(=O)NC[C@H](O)CNc2nccnc2C#N)n[nH]1 1105725999 YHFFSCHLZRWGLB-SECBINFHSA-N 301.310 -0.417 30 20 DBED Cc1cc(C#N)nc(NC[C@H](O)CNC(=O)[C@H]2CCCO2)n1 1105737615 IHMSUBPWPMDROG-VXGBXAGGSA-N 305.338 -0.275 30 20 DBED Cc1nn(C)cc1C(=O)NC[C@H](O)CNc1cnc(C#N)cn1 1105763721 MSQKKVOEGFLCFJ-LLVKDONJSA-N 315.337 -0.407 30 20 DBED CN1CC[C@@H](C(=O)NC[C@@H](O)CNc2cnc(C#N)cn2)C1 1105853756 QSCPRWUGJRRFAZ-PWSUYJOCSA-N 304.354 -0.811 30 20 DBED N#Cc1cncc(NC[C@@H](O)CNC(=O)Cc2ncc[nH]2)n1 1105936982 AAELOXWZIBIERF-SNVBAGLBSA-N 301.310 -0.797 30 20 DBED N#Cc1c(F)cccc1NC[C@H](O)CNC(=O)Cn1ncnn1 1105975366 UHAIHXGWCRIHDJ-VIFPVBQESA-N 319.300 -0.727 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)C2(COC)CC2)C[C@H]1C 1106425000 CQYUYVJKOHWJSM-ZIAGYGMSSA-N 321.421 -0.154 30 20 DBED Cc1cc(=NC/C=C/CNC(=O)Cn2cnnn2)c(C#N)c[nH]1 1107027263 MIHWYTWPUINMGC-NSCUHMNNSA-N 312.337 -0.545 30 20 DBED C=C(C)CN1CC(n2cc(CNC(=O)CNC(C)=O)nn2)C1 1107114949 QLHOZHPJSNAQTN-UHFFFAOYSA-N 306.370 -0.537 30 20 DBED N#CCN1CC(n2cc(CNC(=O)CCCCC(N)=O)nn2)C1 1107227728 PVKYDNHWTWGJBR-UHFFFAOYSA-N 319.369 -0.680 30 20 DBED COC[C@@H](O)CN1CCO[C@@](C)(CNC(=O)C#CC(C)C)C1 1107926593 KPADOUQCBQHCTE-HOCLYGCPSA-N 312.410 -0.140 30 20 DBED C[C@]1(C(=O)NC[C@]2(C)CN(CC#N)CCO2)CCC(=O)NC1 1108152655 FACQXMMVTHDSMB-LSDHHAIUSA-N 308.382 -0.367 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)[C@@H](C)OCC=C)CC2=O)C1 1108594770 ZPGIMAFBHCQGCD-OLZOCXBDSA-N 305.378 -0.388 30 20 DBED C[C@H](CN(C)c1ncc(C#N)cc1F)NC(=O)CNC(N)=O 1108816089 JXDALNFVIXIDEB-MRVPVSSYSA-N 308.317 -0.298 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)CN(C)c1ccc(C#N)nn1 1108944550 FINSLMMNLXVWGF-LLVKDONJSA-N 314.349 -0.571 30 20 DBED CN(CCCN=c1cc[nH]c(C#N)n1)C(=O)CCc1nc[nH]n1 1109419045 OCMRUCZJMSXFOC-UHFFFAOYSA-N 314.353 -0.219 30 20 DBED C[C@H](NC(N)=O)C(=O)N[C@H](CN=c1cc[nH]cc1C#N)C1CC1 1109842509 DRVYAVVGVWRVMG-TVQRCGJNSA-N 316.365 -0.261 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H](CCC)S(N)(=O)=O 1110856983 XDXCIWRKEYADCE-FVCCEPFGSA-N 313.423 -0.202 30 20 DBED N#Cc1ccc(N2CC[C@@](O)(CNC(=O)c3cc[nH]n3)C2)nn1 1111031120 BSAIVEDRVDZFBZ-CQSZACIVSA-N 313.321 -0.557 30 20 DBED N#Cc1cccnc1N1CC[C@](O)(CNC(=O)c2cnn[nH]2)C1 1111142999 CMOGHRPNISYOAZ-AWEZNQCLSA-N 313.321 -0.557 30 20 DBED CC(=O)NCC(=O)N1CC[C@@H]([C@H](C)N=c2cc[nH]c(C#N)n2)C1 1111202709 BQWQYNJMYNCAFC-CMPLNLGQSA-N 316.365 -0.445 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@H](C)NC(N)=O)C[C@H]1C(F)(F)F 1112087815 VGPDZECFIDEYSE-DJLDLDEBSA-N 306.288 -0.345 30 20 DBED C[C@H]1CN(c2nccnc2C#N)CC[C@@H]1NC(=O)CNC(N)=O 1112394286 ZCYVUCKPFFSZBP-UWVGGRQHSA-N 317.353 -0.652 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC1 1112982217 FAVOJEKBCKPQTQ-VXGBXAGGSA-N 316.365 -0.703 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)Cc2cnoc2)CC1 1113250232 UDBGQKCALMSSIE-LBPRGKRZSA-N 304.350 -0.501 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)[C@]2(C)CCNC2=O)CC1 1113340875 DGFVMEFBHMZWSA-BLLLJJGKSA-N 322.409 -0.653 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)COc2cccnc2)CC1 1113432271 VSIIEEMBRQLCIH-UHFFFAOYSA-N 317.349 -0.756 30 20 DBED Cc1cc(C#N)nc(N(C)[C@@H](C)CNC(=O)Cn2ncnn2)n1 1113722923 GVUDEPYJYPNTNU-JTQLQIEISA-N 315.341 -0.716 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3ccc(C)nc3)[C@H]2C1 1113860396 MODHVBFUCQDIDF-FOLVSLTJSA-N 312.373 -0.201 30 20 DBED C[C@H]1CCN(c2ccncc2C#N)C[C@@H]1NC(=O)CNC(N)=O 1113998176 UUUMVSHYXOBUIP-JQWIXIFHSA-N 316.365 -0.047 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)c3ccn(C)c3)[C@@H]2C1 1114137104 RYBKTWYJZXMLMQ-CHWSQXEVSA-N 300.362 -0.566 30 20 DBED Cc1ncccc1C(=O)NC1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]12 1114743785 QISIOZYDADRZSB-CHWSQXEVSA-N 313.361 -0.310 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1C[C@@H](C)O[C@@]2(CCOC2)C1 1117543497 GUIVOSZRIBJCTD-JMSVASOKSA-N 312.366 -0.290 30 20 DBED C#CCOCCn1nnnc1N1CCC[C@@H](N2CCNC2=O)C1 1120160400 RYZUOFLRHOGJGW-GFCCVEGCSA-N 319.369 -0.683 30 20 DBED N#Cc1nccnc1N[C@H](CO)CNC(=O)C1=COCCC1 1121198646 RADOWLZPUQBOSJ-NSHDSACASA-N 303.322 -0.068 30 20 DBED COCCOCC(=O)NC[C@H](CO)N=c1cc(C)[nH]cc1C#N 1121213761 UCEBVZKSMFWDMM-CYBMUJFWSA-N 322.365 -0.764 30 20 DBED Cc1[nH]nc(C(=O)NC[C@H](CO)Nc2ccc(C#N)nc2)c1O 1121455329 POZFJTURINEMAM-LLVKDONJSA-N 316.321 -0.107 30 20 DBED CCn1cc(C(=O)NC[C@H](CO)N=c2cc[nH]cc2C#N)nn1 1121926226 AGTSDCZEXSETTF-LLVKDONJSA-N 315.337 -0.811 30 20 DBED Cc1cc(C(=O)N(C)C[C@H](O)CNc2nccnc2C#N)n[nH]1 1124097063 POWWRLUCXHTMQO-SNVBAGLBSA-N 315.337 -0.075 30 20 DBED CN(C[C@H](O)CNc1ccc(C#N)nn1)C(=O)C1=CCOCC1 1124257589 TYZYQZSPZAQHKH-CYBMUJFWSA-N 317.349 -0.074 30 20 DBED CC[C@@H](C(=O)N(C)C[C@@H](O)CNc1ccc(C#N)nn1)N(C)C 1124454387 KKJIMJZVBNEAOO-STQMWFEESA-N 320.397 -0.080 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)[C@H](CC)OC 1124572414 CCMAYQHQQFJDLI-QWRGUYRKSA-N 314.386 -0.483 30 20 DBED COC[C@H](OC)C(=O)N(C)C[C@H](O)CNc1ccc(C#N)nc1 1124722089 USCZBIGSVONTIK-KGLIPLIRSA-N 322.365 -0.154 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]cc1C#N)C(=O)Cc1cnc[nH]1 1124786525 NNCYAOIYWZGQSP-CYBMUJFWSA-N 314.349 -0.428 30 20 DBED CSCC(=O)N(C)C[C@H](O)CN(C)c1ccc(C#N)nn1 1124925506 ODOFQJOVBNKRHK-LLVKDONJSA-N 309.395 -0.033 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1cncc(COC)c1 1129759124 ADZSVHIQIWDUEM-LBPRGKRZSA-N 318.377 -0.315 30 20 DBED N#CCNC(=O)CNCCNC(=O)[C@@H]1CC[C@H]2CCCCN12 1130192660 QMBJMMOHRMXVSP-OLZOCXBDSA-N 307.398 -0.651 30 20 DBED CC#CCN1CC[C@H](c2n[nH]cc2CNC(=O)CC(N)=O)C1 1130376620 NDDVDCGLYVXIJM-NSHDSACASA-N 303.366 -0.286 30 20 DBED C=C(C)CN1C[C@H]2C[C@H]3CN(C(=O)CNC(N)=O)C[C@@]3(C1)O2 1131178367 VWKCYBNKDCKDSJ-YWPYICTPSA-N 308.382 -0.468 30 20 DBED C[C@H]1CC[C@H](NC(=O)c2ccnnc2)CN1CC(=O)NCC#N 1132323009 WUXZMVJPHFCNHN-AAEUAGOBSA-N 316.365 -0.301 30 20 DBED C#CCNC[C@H]1CN(C(=O)CN2CCN(C)C(=O)C2)CC[C@@H]1C 1132931507 AQOUUKSVLRMXPQ-GJZGRUSLSA-N 320.437 -0.532 30 20 DBED C[C@H]1CCN(C(=O)CCn2ncn(C)c2=O)C[C@H]1CNCC#N 1132997801 KKEVSEYCYWFNRP-QWHCGFSZSA-N 320.397 -0.430 30 20 DBED C[C@H](C[C@@H](C)NC(=O)c1cncnc1)NCC(=O)NCC#N 1134153270 XDQXBFFEZUXFES-GHMZBOCLSA-N 304.354 -0.397 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)c1cc(C)[nH]c1C 1134423516 JTDPWSLZGMHUAG-UHFFFAOYSA-N 321.381 -0.037 30 20 DBED C=CCCn1cc(C(=O)NCCNCCN2CCNC2=O)nn1 1135075553 PDUBBTXFKLDNLH-UHFFFAOYSA-N 321.385 -0.801 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cnn(CC(C)C)c1 1135803553 LNORGWKJESWVRX-UHFFFAOYSA-N 305.382 -0.392 30 20 DBED CC(C)C#CC(=O)N1CC2(CCN([C@H]3CCC(=O)NC3=O)C2)C1 1147514361 JDBSLNZBJLRANQ-ZDUSSCGKSA-N 317.389 -0.015 30 20 DBED C=CCCCN1CCCO[C@H](CNC(=O)Cn2cnnn2)C1 1149159747 LOSGLWWFMADNEN-CYBMUJFWSA-N 308.386 -0.154 30 20 DBED C#CCNC(=O)CC(=O)NCCCNCCc1cnn(C)c1 1156848035 OVUQOUFCTQKHKK-UHFFFAOYSA-N 305.382 -0.802 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)CCc1ncc[nH]1 1157264078 BPCRISGJBUKVOH-GFCCVEGCSA-N 305.382 -0.424 30 20 DBED C#CCOCCC(=O)NCCCNCC(=O)N(CC)CCC#N 1157853278 XXDFXAPISHYKAQ-UHFFFAOYSA-N 322.409 -0.116 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)[C@H]1CC(=O)N(C)C1 1159270008 DSMFZGKSIFOBOM-NEPJUHHUSA-N 310.398 -0.749 30 20 DBED Cc1nn(C)cc1CC(=O)NCCCNCC(=O)NCC#N 1160054813 RDPHFZVBYPZYFI-UHFFFAOYSA-N 306.370 -0.993 30 20 DBED CC#CCNCC1(CCNC(=O)Cn2ncn(C)c2=O)CC1 1165885529 DZGMDYKBWPSFPG-UHFFFAOYSA-N 305.382 -0.519 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)COc1cccnc1 1168459056 XWLFBWYKZSILOS-ZDUSSCGKSA-N 318.377 -0.306 30 20 DBED C#CCNC[C@H]1C[C@H]2CC[C@H]1N(C(=O)CN1CCNC(=O)C1)C2 1177876666 PFMYTJPOWWUYMJ-RBSFLKMASA-N 318.421 -0.732 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@H](NCc2ncnn2C)[C@@H]1C 1178678239 CTGIITOMOKGDBC-XQQFMLRXSA-N 305.382 -0.068 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)c2cnn[nH]2)[C@H]1C 1179045310 GPQNTMOJXIDQKO-VWYCJHECSA-N 306.370 -0.312 30 20 DBED C#CCNC(=O)CNCCCCCCNC(=O)c1cnon1 1179860312 FFZYRAFVVUPLCP-UHFFFAOYSA-N 307.354 -0.301 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2cn3c(n2)CCC3)C1 1182676136 BXHLTPUZKPXLBN-GFCCVEGCSA-N 315.377 -0.617 30 20 DBED COCC#CCNC[C@@H]1CCN(C(=O)Cn2cnnn2)C[C@@H]1C 1183849767 KNCQPFDHLMXODM-KBPBESRZSA-N 320.397 -0.603 30 20 DBED C#CCNC[C@@H]1CCN(C(=O)CCCS(N)(=O)=O)C[C@H]1C 1185040241 NNCVAMIETLRZLI-OLZOCXBDSA-N 315.439 -0.238 30 20 DBED C#CCNC[C@@H]1CN(C(=O)C(C)(C)C(N)=O)CC12CCOCC2 1186410382 UNBHNCKIELHOQE-CYBMUJFWSA-N 321.421 -0.024 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2nccc(C)n2)C1 1189891343 BNGLOGTXCYDLOH-CYBMUJFWSA-N 315.377 -0.319 30 20 DBED COCC#CCN(C)[C@H]1CCN(C(=O)C[C@H]2CCNC2=O)C1 1190634483 HDZBHLZOUFQRNY-KGLIPLIRSA-N 307.394 -0.305 30 20 DBED C#CCN(C)[C@H]1CCN(C(=O)CN(C)CC(=O)NC(C)C)C1 1191143798 HNVMGFCWTIFGOK-AWEZNQCLSA-N 308.426 -0.391 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(Cc2cc(OC)no2)C[C@H]1O 1191778299 VONRKGRBFDYLHL-VXGBXAGGSA-N 311.338 -0.453 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(Cc2nnc(CC)o2)C[C@H]1O 1192530949 RBMOBAJXUBJKGL-HFAKWTLXSA-N 324.381 -0.380 30 20 DBED C#CCN(C)[C@H]1CCN(C(=O)CS(=O)(=O)N(CC)CC)C1 1192633013 UOLRWNTVFDGITB-ZDUSSCGKSA-N 315.439 -0.176 30 20 DBED CCn1ncc(CN2C[C@@H](O)[C@H](NC(=O)C#CC3CC3)C2)n1 1192770737 PUULGRYUOFWMLG-ZIAGYGMSSA-N 303.366 -0.627 30 20 DBED C#CCO[C@H](C)C(=O)N1CCCN([C@@H]2CCC(=O)NC2=O)CC1 1195791359 ATAAVJWDHJUICY-CHWSQXEVSA-N 321.377 -0.636 30 20 DBED N#CCNC(=O)CN1CCCN(C(=O)c2csc(O)n2)CC1 1196831743 RLOBSHABRRANAU-UHFFFAOYSA-N 323.378 -0.364 30 20 DBED C[C@H](C(=O)N1CCCN(CC(=O)NCC#N)CC1)[C@H]1CCCO1 1197076849 LWJHKAPPAQFQAM-UONOGXRCSA-N 322.409 -0.024 30 20 DBED CC#CCNC[C@H]1CN(C(=O)[C@H]2CCNC(=O)C2)CCCO1 1200239162 PZGWWWMUXLADBH-KBPBESRZSA-N 307.394 -0.257 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCC(NCc2nc(=O)n(C)[nH]2)CC1 1200325133 OXGMQCGRPKDCPE-HNNXBMFYSA-N 323.397 -0.484 30 20 DBED COCC#CCNC[C@H]1CN(C(=O)c2cn(C)nn2)CCCO1 1200420651 VFBBCNDCOFFELF-ZDUSSCGKSA-N 321.381 -0.714 30 20 DBED CC#CCNC[C@H]1CN(C(=O)[C@H]2CC(=O)N(C)C2)CCCO1 1200635052 QJENUCZYCQCELA-KBPBESRZSA-N 307.394 -0.305 30 20 DBED C#CCNC[C@H]1CN(C(=O)[C@@]2(CC)CCNC2=O)CCCO1 1200721057 FVOUXBUFAQOYGJ-BBRMVZONSA-N 307.394 -0.257 30 20 DBED C#CCNC[C@H]1CN(C(=O)[C@@]2(C)CCC(=O)NC2)CCCO1 1201225461 JPHSXMRETDOGJW-BBRMVZONSA-N 307.394 -0.257 30 20 DBED C#CCNC[C@@H]1CN(C(=O)c2ccc(N(C)C)nn2)CCCO1 1201880342 NZAIEXCDONDRLS-CYBMUJFWSA-N 317.393 -0.004 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC(N[C@@H](C)C(N)=O)CC1 1202802115 MQKLCWCBNDMXFE-SMDDNHRTSA-N 324.425 -0.088 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CCCN(C(=O)CC(=O)NC)C1 1207901911 GBHAUVRQPZQDAR-NWDGAFQWSA-N 310.398 -0.606 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@H](CCC)S(N)(=O)=O)[C@H](C)C1 1208105936 UIMYMQLODHTDRX-UTUOFQBUSA-N 301.412 -0.487 30 20 DBED CC#CCN1C[C@@H](NC(=O)COCc2ncnn2C)[C@H](C)C1 1209928274 COYFBGIBBBVUTR-CHWSQXEVSA-N 305.382 -0.209 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)c2nocc2C)C1 1210494730 WYMBTOANOZQOBG-GFCCVEGCSA-N 304.350 -0.073 30 20 DBED COCC#CCN[C@H]1CCCN(C(=O)c2c[nH]c(C(N)=O)c2)C1 1211099053 XEDQDGDEDAWYLG-ZDUSSCGKSA-N 318.377 -0.042 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(CC2CCC2)C[C@H]1OC 1212149815 HNCCAWYYRFGJMT-ZIAGYGMSSA-N 307.394 -0.259 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@H]1C 1214336088 TYKKSAOIPDYLHP-MCIONIFRSA-N 306.410 -0.734 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](NCC(=O)NCCC)[C@H](C)C1 1214472262 LKTLPMZCGSPCGU-CHWSQXEVSA-N 322.409 -0.911 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)c2scnc2C)C1 1219237967 QKZNRLJSYIPPFJ-NEPJUHHUSA-N 309.391 -0.124 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(Cc2ncnn2CCC)C[C@@H]1O 1219362299 UUNDTTCFMORSHI-OLZOCXBDSA-N 323.397 -0.448 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)C(=O)NCC(F)(F)F)C1 1220634945 AYHYNZYVXPIVQE-BDAKNGLRSA-N 309.288 -0.598 30 20 DBED COCC#CCN1CC[C@@H]2CN(C(=O)[C@H](COC)OC)[C@@H]2C1 1221805870 LWELXARUZWHCRH-KFWWJZLASA-N 310.394 -0.170 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3nc(C)c[nH]3)[C@@H]2C1 1221859447 TZPYXIGFDYJPOW-CHWSQXEVSA-N 315.377 -0.386 30 20 DBED C=CCOCC(=O)NC1CCN(CCN2C(=O)CNC2=O)CC1 1226599264 RXYUASQQDPFPDO-UHFFFAOYSA-N 324.381 -0.679 30 20 DBED C=CCN1CCS(=O)(=O)[C@@H](CCNC(=O)CCOC)C1 1230398682 IAXDSKSINUJVRN-LBPRGKRZSA-N 304.412 -0.186 30 20 DBED C=CCCCN1CCS(=O)(=O)[C@H](CCNC(=O)C(N)=O)C1 1230495174 YAFFDSXJZMVMJB-LLVKDONJSA-N 317.411 -0.957 30 20 DBED COC1CC(C(=O)N(C)C[C@@H]2CCN2CC(=O)NCC#N)C1 1235635975 WMBLCPDXTAKJBN-CPCZMJQVSA-N 308.382 -0.416 30 20 DBED CC(=O)N1CCN(C(=O)C(=O)N2CC[C@](F)(C#N)C2)[C@H](C)C1 1261328425 GBKCFJBYEKKHQQ-YGRLFVJLSA-N 310.329 -0.470 30 20 DBED Cc1noc([C@@H](C)N(C)C(=O)C(=O)N2CCO[C@H](C#N)C2)n1 1261557370 CZPINPVZSYWKPT-PSASIEDQSA-N 307.310 -0.352 30 20 DBED N#CC1CCN(C(=O)C(=O)NCCOC[C@H]2CCOC2)CC1 1322551808 SZGHACBEABWTDO-ZDUSSCGKSA-N 309.366 -0.082 30 20 DBED C=C(C)COCCNC(=O)C(=O)N1CCO[C@H](C(=O)OC)C1 1323890847 IZTURAIMPKSEAH-NSHDSACASA-N 314.338 -0.904 30 20 DBED C#CCNC(=O)CNC[C@H]1CCCN1C(=O)c1cnc(C)n1C 1324213755 RFZUPFNMKZHRQB-CYBMUJFWSA-N 317.393 -0.328 30 20 DBED C=CCn1cc(CNC(=O)C(=O)NCCN(CC)C2CC2)nn1 1325923299 GBBPLKOMKVCFOL-UHFFFAOYSA-N 320.397 -0.319 30 20 DBED CC(C)C(=O)NCCCNC(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1329365645 PSOOKBBWTPBMQI-HNNXBMFYSA-N 324.381 -0.858 30 20 DBED C#CCCCCNC(=O)C(=O)N1C[C@@](C)(CO)[C@@](C)(CO)C1 1330216508 WUCYQLPKMNAFFJ-IYBDPMFKSA-N 310.394 -0.255 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CCC2(CCNC2=O)CC1 1331367606 QWAPPHAHYUPWOI-LLVKDONJSA-N 309.366 -0.568 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CCC[C@@]2(C)CO)nn1 1332044311 PIYQBWVEOOYAIJ-AWEZNQCLSA-N 307.354 -0.546 30 20 DBED C#CCOCCN(C)c1nnnn1CCCN1CCOCC1 1334460900 FEIQCYDLZSPROX-UHFFFAOYSA-N 308.386 -0.519 30 20 DBED C=CCC1(O)CCN(C(=O)C(=O)N2CC[C@@](F)(CO)C2)CC1 1336380641 YYUGZIGSVLBDAH-AWEZNQCLSA-N 314.357 -0.151 30 20 DBED C=C(C)Cn1c(CO)nnc1N1CC[C@H](S(C)(=O)=O)C1 1343602145 FIYWOQVVGCRXAN-JTQLQIEISA-N 300.384 -0.030 30 20 DBED C#CCOCCn1cnc2c(c(S(C)(=O)=O)nn2C)c1=O 1347178157 LDFUZTSBVXDRGD-UHFFFAOYSA-N 310.335 -0.817 30 20 DBED CCN(CCS(C)(=O)=O)C(=O)C(=O)NCC1(CC#N)CC1 1347566315 PBLRXBJFPNFLIN-UHFFFAOYSA-N 315.395 -0.310 30 20 DBED CN(C)[C@@H]1CCCC[C@H]1NC(=O)Cn1cc(C#N)c(O)nc1=O 1361766947 YUZFECVCWUBHHD-VXGBXAGGSA-N 319.365 -0.190 30 20 DBED C[C@H]1[C@@H](C)N(C(=O)Cn2cc(C#N)c(O)nc2=O)CCN1C 1362574746 BVGJNPOKYGZKGB-VHSXEESVSA-N 305.338 -0.628 30 20 DBED CC(C)O[C@@H]1CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)C1 1363523109 YLTNXFUZNKLHEK-LLVKDONJSA-N 306.322 -0.154 30 20 DBED CCCN1C[C@@H](CNS(=O)(=O)N(C)CCC#N)CC1=O 1363931044 WNMLMSYTHLOGOJ-LLVKDONJSA-N 302.400 -0.075 30 20 DBED C=C(Cl)CNC[C@H](O)CN(C)C(=O)c1cn(C)c(=O)n1C 1379861996 IVCLVEMYLSICQH-JTQLQIEISA-N 316.789 -0.501 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CCN(C(=O)CN(C)C(=O)C2CC2)C1 1385609616 DRKAWUJEWCPBFC-PWSUYJOCSA-N 306.366 -0.268 30 20 DBED COCCc1nc(CN2CC(CNC(=O)[C@@H](C)C#N)C2)no1 1391474706 NKWBTVKZMXNKJB-JTQLQIEISA-N 307.354 -0.034 30 20 DBED C[C@H](CN(C)C(=O)Cc1nc[nH]n1)NC(=O)c1c[nH]c(C#N)c1 1395680148 PXLAFEOMTUQFOJ-SECBINFHSA-N 315.337 -0.176 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](NC(=O)CCn1cnnn1)C(C)(C)C 1396152759 SRLJNHSYRHJMSM-MNOVXSKESA-N 321.385 -0.130 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@@H](CNC(=O)CN2CCOCC2)C1 1396520817 FVONZCALDFUAHS-UPJWGTAASA-N 308.382 -0.511 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)CCc1cscn1 1399873037 ZERPKIFBINFKCT-GXSJLCMTSA-N 310.379 -0.171 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]1CN(C)C(=O)CN1CCOCC1 1414109946 HKWDHWLEWSSACM-OLZOCXBDSA-N 308.382 -0.462 30 20 DBED CC(=O)NCC(=O)N1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 1427348632 KOAWIQBJOMQNTK-LLVKDONJSA-N 303.322 -0.647 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]1CN(C)C(=O)C1(NC(N)=O)CC1 1428996857 PQBXTSIQYZITBP-VHSXEESVSA-N 307.354 -0.594 30 20 DBED CC[C@H](CNC(=O)CCn1ncn(C)c1=O)NC(=O)[C@H](C)C#N 1430662665 WMYZJWXQGRMRJK-GHMZBOCLSA-N 322.369 -0.857 30 20 DBED N#Cc1cn(CC(=O)NCCC2CCOCC2)c(=O)nc1O 1433712385 XDQDMJQROMNPTB-UHFFFAOYSA-N 306.322 -0.247 30 20 DBED CO[C@H]1CC[C@@H](NC(=O)CCn2cc(C#N)c(O)nc2=O)C1 1447744761 FQZBXIFERPGKFP-MNOVXSKESA-N 306.322 -0.106 30 20 DBED CCn1cccc(NC(=O)Cn2cc(C#N)c(O)nc2=O)c1=O 1451622325 NAJISBYLZSCZFJ-UHFFFAOYSA-N 315.289 -0.359 30 20 DBED C[C@](C#N)(CC(=O)O)C(=O)NCCS(=O)(=O)N1CCCC1 1573362551 DERCZZQLYHXXSC-GFCCVEGCSA-N 317.367 -0.467 30 20 DBED C[C@@H]1CS(=O)(=O)CCN1c1cnc(C#N)c(-c2nn[nH]n2)n1 1576378369 QEHVRDMIIIIYNJ-SSDOTTSWSA-N 320.338 -0.848 30 20 DBED N#CCN1CC[C@H](NC(=O)CCCCCc2cnn[nH]2)[C@H](O)C1 1577706260 ADRCWNOTNOQEJT-UONOGXRCSA-N 320.397 -0.017 30 20 DBED N#Cc1ncc(N2CC[C@](O)(C(F)F)C2)nc1-c1nn[nH]n1 1581882079 KOOGTAQVARYLSW-LLVKDONJSA-N 308.252 -0.265 30 20 DBED C=CCOCC(=O)NS(=O)(=O)c1scnc1C(=O)O 1588850813 GAOCXJCCZXOWRU-UHFFFAOYSA-N 306.321 -0.151 30 20 DBED N#Cc1cc(C(=O)NCCN=c2cc[nH]c(C(=O)O)n2)c[nH]1 1601085951 RFEUGLXXICOCPW-UHFFFAOYSA-N 300.278 -0.362 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H](CCC1OCCO1)C(=O)O 1602720254 OISKBHMBGDGDFN-NEPJUHHUSA-N 310.350 -0.194 30 20 DBED C#CCOCCC(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)O 1602727996 JITQWCBOAYSOKV-SNVBAGLBSA-N 303.336 -0.873 30 20 DBED C=CCn1cc(C(=O)N2C[C@H](C(=O)OC)CC[C@H]2C(=O)O)nn1 1602937601 BUPLHRFHVRYOAR-KOLCDFICSA-N 322.321 -0.058 30 20 DBED C=CCOC[C@H](NC(=O)[C@H]1CCc2nnc(C)n2C1)C(=O)O 1609432318 NTFGXJNGDOSRCV-QWRGUYRKSA-N 308.338 -0.079 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CCCN(Cc2nnnn2C)C1 1752320450 BGGYNIFSWQPELK-RISCZKNCSA-N 308.386 -0.382 30 20 DBED C#CCCN1CCN(CCCNC(=O)CO[C@@H]2CCOC2)CC1 1752343109 IHJLTZWNUUMOGO-MRXNPFEDSA-N 323.437 -0.061 30 20 DBED CC/C=C(/C)C(=O)NCCN1CCN(CC(=O)NCC#N)CC1 1752364134 YQPUYRYUFYKARB-CPSFFCFKSA-N 321.425 -0.284 30 20 DBED C#CCNC(=O)CN[C@H](C)CNC(=O)[C@H](C)c1c(C)n[nH]c1C 1752907488 DWVGDKVQZXZIGX-GHMZBOCLSA-N 319.409 -0.026 30 20 DBED N#CCNC(=O)CNC[C@@H]1CCN(C(=O)[C@H]2CC2(F)F)C1 1752937095 ZLBHEICUDOFQHQ-VHSXEESVSA-N 300.309 -0.281 30 20 DBED Cc1cc(C(=O)N2CCC[C@@H](N(C)CC(=O)NCC#N)C2)n[nH]1 1752988838 SOTGKXYBNQTHDD-GFCCVEGCSA-N 318.381 -0.106 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@H]1CCN(CCN2CCNC2=O)C1 1753123133 SBTJSRRSAZVJPO-CJNGLKHVSA-N 324.425 -0.223 30 20 DBED C#CCNC(=O)CN1CC[C@H](CNC(=O)c2ccns2)C1 1753128566 IEHGXPFKBWUYBT-LLVKDONJSA-N 306.391 -0.056 30 20 DBED C=CCNC(=O)CN1CC(NC(=O)c2cnc3n2CCC3)C1 1753378370 GCWHLTZWUKYDMI-UHFFFAOYSA-N 303.366 -0.455 30 20 DBED C=CCOCC(=O)N(CC)[C@@H]1CCN(CC(=O)NC(N)=O)C1 1753453750 WVZKSDRPXAWPBL-LLVKDONJSA-N 312.370 -0.693 30 20 DBED C#CCN1CCC(C(=O)NC[C@@H](CC)N[C@H](C)C(=O)NC)CC1 1753497798 QRKMXODZUHUWIZ-UKRRQHHQSA-N 322.453 -0.050 30 20 DBED C#CCNC(=O)CN[C@H](CNC(=O)c1cc(C)[nH]n1)C(C)C 1753824186 HLSWUNXWNBVCEO-CYBMUJFWSA-N 305.382 -0.188 30 20 DBED Cc1ncncc1C(=O)N[C@@H](C)CCNCC(=O)NCC#N 1753945781 MKEABOWYBDNWLU-JTQLQIEISA-N 304.354 -0.477 30 20 DBED C=CCN1CC[C@@H](NC[C@H](C)NC(=O)Cn2cccn2)C1=O 1754262834 NJLQBNXKFASLOG-QWHCGFSZSA-N 305.382 -0.236 30 20 DBED C#CCNC(=O)CN1CC(N(C)C(=O)c2csnc2C)C1 1754573691 VBFVZPISGNGWCI-UHFFFAOYSA-N 306.391 -0.043 30 20 DBED C#CCN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)C1CCN(CC#N)CC1 1754641122 QBZQGHSJYKWBNT-UONOGXRCSA-N 318.377 -0.531 30 20 DBED C#CCN1CC(O)(CNC(=O)c2c(F)cccc2NC(N)=O)C1 1754775153 KQKZIJABLQHGSL-UHFFFAOYSA-N 320.324 -0.274 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(CCO)CCN[C@@H](C)C(=O)NC 1754891393 QKAINWLJHKWGTF-XQQFMLRXSA-N 313.398 -0.878 30 20 DBED C=CCCN1CCOC[C@H]1CNC(=O)CCCS(N)(=O)=O 1754972333 YPAOBZFZFYOKLE-GFCCVEGCSA-N 319.427 -0.552 30 20 DBED Cc1ccc(C(=O)N2C[C@H](C)[C@H](NCC(=O)NCC#N)C2)nn1 1755109685 XOAVJUQSKABHKK-GXFFZTMASA-N 316.365 -0.525 30 20 DBED C#CCCN1CCC(CO)(NC(=O)C[C@H]2CCNC2=O)CC1 1755178126 QTPIKYZPUYEMQG-CYBMUJFWSA-N 307.394 -0.521 30 20 DBED N#CCSCC(=O)N1C[C@H]2CC[C@H]1CN2[C@H]1CCNC1=O 1755393231 GYNAFNGLCLQCOS-WOPDTQHZSA-N 308.407 -0.193 30 20 DBED C[C@H](CCCNCC(=O)NCC#N)NC(=O)c1cncnc1 1755494437 SXPJNULGOUBAOV-LLVKDONJSA-N 304.354 -0.396 30 20 DBED C#CCN(C)CCOCCNC(=O)[C@H]1CCCS1(=O)=O 1755545839 BTKMKHKJGTWERY-GFCCVEGCSA-N 302.396 -0.739 30 20 DBED C=CCNC(=O)CN[C@H](C)CN(C)C(=O)[C@@]1(F)CCOC1 1755601645 NAOADNBYKPNXFZ-BXUZGUMPSA-N 301.362 -0.146 30 20 DBED C#CCCN[C@@H](CO)CNC(=O)[C@@H]1CCc2cnc(C)n2C1 1755636104 AKXFBAQTMNSUCU-ZIAGYGMSSA-N 304.394 -0.156 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H](CO)CNC(=O)C1CCC=CCC1 1755647707 PWWYLZGIOHLZKE-DZGCQCFKSA-N 321.421 -0.063 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@H](C)N(C(=O)Cc2ccn(C)n2)C1 1755678900 PZDNFTJTWJSVGL-JSGCOSHPSA-N 317.393 -0.709 30 20 DBED C#CCN1CC[C@@]2(NC(=O)CCNC(=O)COC)CCC[C@@H]12 1755702718 RKVSNCPGXYTSKI-CJNGLKHVSA-N 307.394 -0.115 30 20 DBED C#CCCN[C@H]1CN(C(=O)C[C@H](NC(C)=O)C(N)=O)CC1(C)C 1755764548 VCJHYFKPNDDHIF-STQMWFEESA-N 322.409 -0.784 30 20 DBED CC#CCNC[C@H](O)CN(C)C(=O)[C@@H]1CCc2cncn2C1 1755793054 MJHPJZVPWIIIHM-HIFRSBDPSA-N 304.394 -0.122 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC[C@@H]1CN(C)C(=O)c1nc[nH]n1 1755914314 FTRMCZOKTCBNOH-VXGBXAGGSA-N 319.365 -0.094 30 20 DBED C#CCOCCC(=O)N(C)[C@@H](C)CNC(=O)[C@H](C)NC(C)=O 1756001624 BYALKDHNXJXKLV-RYUDHWBXSA-N 311.382 -0.486 30 20 DBED CN(C[C@@H](O)CNC(=O)Cc1ccon1)C(=O)C#CC1CC1 1756663883 ZEHRUKPMYONUHI-ZDUSSCGKSA-N 305.334 -0.434 30 20 DBED C=CCCC(=O)NC[C@H](O)CN(C)C(=O)c1cn(CC)nn1 1756675493 GLLDTNIGUFLRKB-NSHDSACASA-N 309.370 -0.187 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)c2cn(C)nc2C)C[C@H]1O 1756985764 PZLUJPIOYWPMTO-CHWSQXEVSA-N 322.365 -0.767 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cncn1C)CCO2 1783049487 APHXOBCQOPKPSE-OAHLLOKOSA-N 302.334 -0.503 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)CCSC(=N)N)CCO2 1783049661 KNWRWEOTWZIRTH-CQSZACIVSA-N 324.406 -0.534 30 20 DBED C[C@@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)C3(C#N)CCC3)C2)C1 1785369616 LDAYNJFJNYPTIL-WBMJQRKESA-N 321.377 -0.109 30 20 DBED N#CCCC(=O)N1CC2(CCCN2C(=O)Cn2cncn2)C1 1843080274 WLZZTYKQBQRXHO-UHFFFAOYSA-N 302.338 -0.215 30 20 DBED N#CCC(=O)N1CC2(CCCN2C(=O)CN2C(=O)C=CC2=O)C1 1846459800 SHVXGCJQUDZPNL-UHFFFAOYSA-N 316.317 -0.972 30 20 DBED N#CCC[C@@H](C#N)CN1CCN(C(=O)C(=O)NC2CC2)CC1 76512045 PFEPJDDVMQLXKF-LBPRGKRZSA-N 303.366 -0.147 30 20 DBED C#CCN1CCN(C(=O)CN2CCCN(C(=O)CC)CC2)CC1 81666914 DHYUOHKCNASEHG-UHFFFAOYSA-N 320.437 -0.292 30 20 DBED N#Cc1ccccc1CN1CCN(CCS(N)(=O)=O)CC1 174928250 HWWHCJFITAOIGH-UHFFFAOYSA-N 308.407 -0.036 30 20 DBED N#Cc1ncccc1S(=O)(=O)NC[C@@H](CO)[C@@H]1CCOC1 281048462 RWGRBEUAQZHVEV-MNOVXSKESA-N 311.363 -0.123 30 20 DBED CN(CCOCCO)C(=O)CNC(=O)c1ccc(C#N)cc1 282126094 JPKWOENJGOVVOV-UHFFFAOYSA-N 305.334 -0.245 30 20 DBED N#CCCNS(=O)(=O)c1ccc(C(=O)NCC#CCO)cc1 282890553 KNZMFBIGXRODDI-UHFFFAOYSA-N 321.358 -0.396 30 20 DBED C=CCCOCCNC(=O)C(=O)NCC1([S@](C)=O)CC1 289442616 SGXUCIGQGJGOIA-FQEVSTJZSA-N 302.396 -0.277 30 20 DBED CS(=O)(=O)CC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 292208127 AYDZSQYVXIAITI-LLVKDONJSA-N 309.347 -0.022 30 20 DBED CN(CCS(C)(=O)=O)S(=O)(=O)c1cncc(C#N)c1 312064598 KEMRKRCWNPRHJQ-UHFFFAOYSA-N 303.365 -0.382 30 20 DBED O=C1CN(/C(O)=N/[C@H]2CCCS(=O)(=O)C2)CCN1C1CC1 328725384 TYDRZTJOAFJKBY-JTQLQIEISA-N 315.395 -0.216 30 20 DBED CN1CCN(C(=O)CC/N=C(/O)[C@@]2(O)CCSC2)CC1 328992665 VRQMFVFZEXSXCI-CYBMUJFWSA-N 301.412 -0.025 30 20 DBED N#C[C@H]1COCCN1C(=O)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1 329262028 DETQBGUSZBXSNF-XQQFMLRXSA-N 323.349 -0.856 30 20 DBED C/C(O)=N/[C@@H]1CCCN(C(=O)CN2CCN3CCOC[C@H]3C2)C1 329670899 MZTFTNALPRBGLO-HUUCEWRRSA-N 324.425 -0.030 30 20 DBED COCCN1CC[C@@H](N/C(O)=N/CC(=O)N2CCOCC2)C1 330678354 KBWLVWGPSOADLQ-GFCCVEGCSA-N 314.386 -0.931 30 20 DBED CCS(=O)(=O)NCC/N=C(/O)N1C[C@H](C)O[C@@H](COC)C1 331267222 RCFBHGAPATXDQR-WDEREUQCSA-N 323.415 -0.425 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)NC[C@@H]2CCC[C@H](O)C2)CCO1 337057230 CYENYKBVZXGMIP-GRYCIOLGSA-N 303.384 -0.404 30 20 DBED C=CCOC[C@H](NS(=O)(=O)N(C)[C@@H](C)CC#N)C(=O)OC 337787482 YFGDNWITSFCROZ-QWRGUYRKSA-N 319.383 -0.201 30 20 DBED CN1C(=O)C(=O)N(CC(=O)NCC#Cc2cccc(F)c2)C1=O 338148541 AFQOJRADTQMRJC-UHFFFAOYSA-N 317.276 -0.286 30 20 DBED CCNC(=O)CNC(=O)N1CCN(c2cc(C#N)ccn2)CC1 339532290 CLDRSZLDHNEVAV-UHFFFAOYSA-N 316.365 -0.079 30 20 DBED CC(C)N1CC[C@H](NC(=O)C(=O)N2CCC(C#N)CC2)C1=O 349223099 JEHZQGDMZRPMIW-LBPRGKRZSA-N 306.366 -0.126 30 20 DBED C[C@H]1CCCN1S(=O)(=O)CCCS(=O)(=O)N(C)CC#N 349503770 LCGSGXVWKZNLHF-NSHDSACASA-N 323.440 -0.024 30 20 DBED C[C@@H](C#N)S(=O)(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 352412859 JNGZKZMZIMLNQM-NWDGAFQWSA-N 315.395 -0.201 30 20 DBED CC1(C)CN(S(=O)(=O)NCCn2cnc(C#N)n2)CCO1 352647043 QVAWYAHDDCQLLP-UHFFFAOYSA-N 314.371 -0.905 30 20 DBED COC(=O)Cn1cc(CNC(=O)N[C@H]2CCC[C@H]2C#N)nn1 360050744 LNULIGKBWMEAHW-ONGXEEELSA-N 306.326 -0.057 30 20 DBED N#Cc1ccc(N2CCN(CC(=O)N3CCNC3=O)CC2)cn1 374510850 ZRBDXMHVCRRCRT-UHFFFAOYSA-N 314.349 -0.373 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N[C@@]1(C)CCS(=O)(=O)C1 407977613 UARWPTNVYUNUKL-ZJUUUORDSA-N 309.413 -0.368 30 20 DBED C=CCN(C)C(=O)C(=O)N1CCN(C(COC)COC)CC1 414596856 HYTIKKVYFCKHED-UHFFFAOYSA-N 313.398 -0.564 30 20 DBED COC(=O)[C@H](C)CS(=O)(=O)NCC1CCN(CC#N)CC1 427775124 CELWYYCCGVZILX-LLVKDONJSA-N 317.411 -0.050 30 20 DBED C#CCN1CCN(C(=O)CN[C@H]2CCC[C@H]2C(=O)NC)CC1 491165034 HXDUVKOFNHRXFL-KGLIPLIRSA-N 306.410 -0.732 30 20 DBED N#C[C@@]1(NC(=O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)CCOC1 548139243 SIHUNZVKUQAYEL-RWSFTLGLSA-N 305.334 -0.040 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)NCCOC[C@@H]2CCCO2)CCO1 554533815 UARCOVCDHKSVPE-NWDGAFQWSA-N 319.383 -0.759 30 20 DBED Cc1cc(NC(=O)C(=O)N[C@H]2CC(=O)N(C)C2)ncc1C#N 594297302 SDFXHYSKMVGXIS-JTQLQIEISA-N 301.306 -0.453 30 20 DBED C=CCCSCCNC(=O)C(=O)NC[C@H]1CNCCO1 595284403 QKILNZJEYXHLLW-LLVKDONJSA-N 301.412 -0.484 30 20 DBED C=CCN(C(=O)C1CCN(S(N)(=O)=O)CC1)[C@@H](C)COC 617577841 XEHNQYBMJFOQSX-NSHDSACASA-N 319.427 -0.049 30 20 DBED C=C[C@@H](O)C(=O)N1CCC(CNC(=O)c2cnn(C)c2)CC1 646791411 OLZROSDQSVOKRZ-CYBMUJFWSA-N 306.366 -0.065 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)Cc2csc(C)n2)CC1 728536128 KXXJWPFPALOUDK-UHFFFAOYSA-N 320.418 -0.112 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)OCC2CCOCC2)C1=O 733010845 PIHDSXATCFXNBA-UHFFFAOYSA-N 310.306 -0.067 30 20 DBED C[C@H](C#N)CNC(=O)NCCS(=O)(=O)N1CCOCC1 781933578 NDSHGHGPNFEWJS-SNVBAGLBSA-N 304.372 -0.893 30 20 DBED COC[C@](C)(O)C(=O)OCc1cc(O)n2ncc(C#N)c2n1 783877890 NKJNUXYEACRHMO-ZDUSSCGKSA-N 306.278 -0.253 30 20 DBED C#CCOCCNS(=O)(=O)N1CCC(C(=O)OC)CC1 784457321 HMVJMHCTNBIQLN-UHFFFAOYSA-N 304.368 -0.644 30 20 DBED CC(C)(C)[S@](=O)CCNS(=O)(=O)N1CCO[C@@H](C#N)C1 800055185 OGYCVSXELYZSJP-APBUJDDRSA-N 323.440 -0.408 30 20 DBED C#CCNC(=O)[C@@H](C)OC(=O)c1nnn(-c2ccn(C)n2)c1C 814579041 RQWWYDUHNVMXAH-SNVBAGLBSA-N 316.321 -0.396 30 20 DBED CNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCCN(O)C2=O)o1 816756427 XCUQEJTWNFSXTC-ZETCQYMHSA-N 317.323 -0.702 30 20 DBED C#CC[C@@H](CO)NC(=O)[C@@H](C)NS(=O)(=O)c1cccs1 820059448 FPOUQHPPITZTPV-ZJUUUORDSA-N 316.404 -0.085 30 20 DBED N#Cc1ncn(CCn2nc3ccccn3c2=O)c1-c1nn[nH]n1 826387946 ARZQAOCZCANILN-UHFFFAOYSA-N 322.292 -0.556 30 20 DBED C=CCN(C(=O)CO[C@@H]1CCCNC1)[C@@H]1CCS(=O)(=O)C1 843397889 SNKOXUGIJIAFTP-CHWSQXEVSA-N 316.423 -0.043 30 20 DBED C#CCC[C@@H](O)CNC(=O)[C@H](C)n1cnc2c(N)ncnc21 847170237 CJICGMVMWPUQTH-VHSXEESVSA-N 302.338 -0.140 30 20 DBED C#CC[C@H](CO)NC(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 854545551 LLQWIPVLDRDQQU-AFCCXKIYSA-N 320.345 -0.961 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)OC[C@H]2CCO[C@@H]2C)C1=O 869377194 UKUJHKDWZQVSRL-NXEZZACHSA-N 310.306 -0.069 30 20 DBED C[C@@H](NC(=O)C(=O)N1CCN(CCC#N)CC1)[C@H]1CCCNC1 884684008 UXZLFSKZUHEWPA-KGLIPLIRSA-N 321.425 -0.451 30 20 DBED C#CC1(O)CN(C(=O)[C@@H](C(C)C)N2CCCS2(=O)=O)C1 890522465 MKCCTLIWWUXHIY-LLVKDONJSA-N 300.380 -0.747 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)CC(=O)N1CCC[C@@H](C(=O)O)C1 909434443 VJRVAUPWPMNPAU-NWDGAFQWSA-N 310.350 -0.194 30 20 DBED C#CCN(CC(=O)N1CCN(CC(=O)N(C)C)CC1)C(C)C 932392285 FPWOVUZKRQVARW-UHFFFAOYSA-N 308.426 -0.438 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@H](C)C#N)C1 941238032 QOQCPFNEDWBNQC-MCIONIFRSA-N 302.378 -0.039 30 20 DBED Cc1nc(CC(=O)N[C@H]2[C@H]3C[C@H]2N(C(=O)C#CC2CC2)C3)n[nH]1 947092663 CJHLRBGNVYYXNN-OZVIIMIRSA-N 313.361 -0.215 30 20 DBED CC#CCN1CCOC2(CCN(C(=O)[C@H]3CNC(=O)N3)CC2)C1 949454727 NVZLYFDIAGAKOR-CYBMUJFWSA-N 320.393 -0.616 30 20 DBED CC(=O)N1CC(C(=O)N[C@@H]2CCCN(C(=O)[C@@H](C)C#N)C2)C1 951868513 UFTIXWYHAWPPIJ-GXFFZTMASA-N 306.366 -0.268 30 20 DBED NC(=O)C(=O)N1CCC[C@]2(CCN(C(=O)C#CC3CC3)C2)C1 952908434 GRBOAUGSDUALFA-MRXNPFEDSA-N 303.362 -0.274 30 20 DBED C#Cc1ccc(C(=O)N(C)C2CN(C(=O)c3cnnn3C)C2)nc1 954912556 GELAWYDNUAQKDJ-UHFFFAOYSA-N 324.344 -0.212 30 20 DBED C#CCCN1C[C@H](CNC(=O)c2cnc(O)cc2OC)[C@@H](O)C1 958412607 GWJADIDCLQBIGW-AAEUAGOBSA-N 319.361 -0.158 30 20 DBED C=CCCN1C[C@@H](O)[C@H](CNC(=O)c2cccn(C)c2=O)C1 958595451 RJHDABKWLJVXEO-TZMCWYRMSA-N 305.378 -0.016 30 20 DBED CCc1cc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)n[nH]1 961643881 ZWMQMFAEGSHAJQ-FXAINCCUSA-N 305.338 -0.567 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CN(C(=O)C3CCC3)C[C@@H]2O)c1 962121530 LWPHFSIJHGXZMO-OLZOCXBDSA-N 302.334 -0.012 30 20 DBED N#CCN1C[C@H]2[C@H](NC(=O)c3cn(C[C@H]4CCOC4)nn3)[C@H]2C1 962176885 PWBLAVCAACJWRG-NMKXLXIOSA-N 316.365 -0.502 30 20 DBED CN(C(=O)CN1CC(=O)NC1=O)C1CCC(NCC#N)CC1 964025569 MLFLKJZAFFYJHV-UHFFFAOYSA-N 307.354 -0.579 30 20 DBED O=C(C#CC1CC1)N1CCOC2(C1)CN(C(=O)c1cnn[nH]1)C2 965371873 NBSQFLMWXZWYSH-UHFFFAOYSA-N 315.333 -0.729 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C2CN(C(=O)[C@H](C)C#N)C2)CC1 967245862 VVAZRFUSYPRJTQ-VXGBXAGGSA-N 303.366 -0.339 30 20 DBED C=CCN1CC[C@@H](C)[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)C1 968597384 WWHPTHWUVVVIPT-YPMHNXCESA-N 307.398 -0.097 30 20 DBED C#CCN1CCCCC[C@H]1CNC(=O)c1cn(CC(N)=O)nn1 969156543 WHHNMGDEQFOSNE-LBPRGKRZSA-N 318.381 -0.629 30 20 DBED C[C@@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)C(C)(C)C(N)=O)C2 969817635 MOKGASFOJXZICU-DCAQKATOSA-N 306.366 -0.141 30 20 DBED CC#CCN1CC([C@H](C)NC(=O)c2cn(C)c(=O)nc2O)C1 970869448 PSSADDHWELYZHE-JTQLQIEISA-N 304.350 -0.441 30 20 DBED C#CCCN1CCO[C@]2(CCN(C(=O)C3(C(N)=O)CC3)C2)C1 972529066 XMKHMQCMCQNYMJ-OAHLLOKOSA-N 305.378 -0.422 30 20 DBED N#Cc1cc(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CCNC3=O)C2)c[nH]1 973191150 PVLRVCIFIDYYAZ-CKYFFXLPSA-N 315.333 -0.601 30 20 DBED C#Cc1cncc(C(=O)NC[C@@H]2CCCN(C(=O)C(N)=O)C2)c1 975527594 JRMSFXQLJJHYCF-LBPRGKRZSA-N 314.345 -0.483 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)[C@@]3(C)CCC(=O)NC3)[C@H]2C1 977018478 VBPMTAMEUFJVAY-CTSUJBPDSA-N 318.377 -0.365 30 20 DBED C=C[C@@](C)(CC)C(=O)N1C[C@H]2[C@H](NC(=O)[C@H]3CNC(=O)N3)[C@H]2C1 977082110 FFYDZCHFVKCSTA-XMQPUEPBSA-N 320.393 -0.157 30 20 DBED N#CCN1C[C@@H]2CC[C@@H](NC(=O)CN3C(=O)CCC3=O)C[C@H]2C1 980248362 UEUHECZLMQCGQT-RWMBFGLXSA-N 318.377 -0.124 30 20 DBED C#CCN[C@@H]1CCC[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)C1 981506614 PSOLALQCAGACNG-VXGBXAGGSA-N 306.366 -0.469 30 20 DBED Cc1c(C(=O)NC[C@H]2CCN(C(=O)[C@@H](C)C#N)C2)nnn1C 983209177 CZAIZXUUOFUKMU-GXSJLCMTSA-N 304.354 -0.139 30 20 DBED Cc1nc(CC(=O)N2CC(NC(=O)c3cc(C#N)c[nH]3)C2)n[nH]1 990691045 DEURXNRXBFNNFY-UHFFFAOYSA-N 313.321 -0.504 30 20 DBED N#Cc1ccc(C(=O)NC2CN(C(=O)CN3CCCC3=O)C2)[nH]1 990889378 RHJSZZBPQSGPKK-UHFFFAOYSA-N 315.333 -0.551 30 20 DBED N#Cc1cc(C(=O)N2CCC(N[C@H]3CCNC3=O)CC2)c[nH]1 991416194 IHZDYPPQKHTVKP-ZDUSSCGKSA-N 301.350 -0.031 30 20 DBED C=CCn1cc(C(=O)NC2CN(C(=O)[C@@H]3CCCOC3)C2)nn1 991672581 BRJYACQUWWJJOL-LLVKDONJSA-N 319.365 -0.169 30 20 DBED C=C1CC(C)(C(=O)N2CC(CNC(=O)[C@@H]3CN(C)C(=O)N3)C2)C1 1003572560 GRPOYDXRLYTOPG-LBPRGKRZSA-N 320.393 -0.059 30 20 DBED C#CCCN1CCC[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)C1 1009381449 GEMOCNMHEGLVLW-CYBMUJFWSA-N 305.382 -0.506 30 20 DBED NC(=O)c1c[nH]c(C(=O)N2CCN(C(=O)C#CC3CC3)CC2)c1 1011108945 FEWRHIJABKCRSR-UHFFFAOYSA-N 314.345 -0.189 30 20 DBED C[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCCN1C(=O)CC(N)=O 1014854609 YPFCRHZDJFFSRS-KOLCDFICSA-N 317.349 -0.129 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H](N[C@H]3CCN(C)C3=O)C2)nn1 1019482285 OBBRSEYIXNCAMJ-RYUDHWBXSA-N 318.381 -0.501 30 20 DBED C#CCN1CCCC[C@@H]1CNC(=O)[C@@H]1CCN(C)S1(=O)=O 1024704264 JIHNPHATCLKEFY-OLZOCXBDSA-N 313.423 -0.376 30 20 DBED C#CCN[C@@H]1CC[C@H]2CN(C(=O)CCn3ncn(C)c3=O)C[C@H]21 1026314513 CNOZZIVNQKCWEH-BFHYXJOUSA-N 317.393 -0.568 30 20 DBED C=CCn1cc(C(=O)N2CCC[C@H](N(C)[C@@H](C)C(N)=O)C2)nn1 1027606569 IDXPYOGSGQVCMU-RYUDHWBXSA-N 320.397 -0.126 30 20 DBED C#CCN1CC[C@@H](CNC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 1028536538 VDLZSUYYNWDUCG-STQMWFEESA-N 315.377 -0.166 30 20 DBED C=CCCN1CC[C@H](CNC(=O)c2cn(C)c(=O)n(C)c2=O)C1 1028840911 OULCTGFOOBYNAP-GFCCVEGCSA-N 320.393 -0.288 30 20 DBED C=C(Br)CN1CC(NC(=O)[C@H]2CNC(=O)N2)C1 1030880346 YVFULLBPZOCWDZ-MRVPVSSYSA-N 303.160 -0.623 30 20 DBED CC#CCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1nc2ncccn2n1 1032782075 SXRRTXPGKOFDBO-STQMWFEESA-N 310.361 -0.025 30 20 DBED C=CCN1CCO[C@H](CNC(=O)[C@@H]2CCCCS2(=O)=O)C1 1035393375 ZMYGXQKEGKILRV-OLZOCXBDSA-N 316.423 -0.043 30 20 DBED C=C(C)CN1CCO[C@@H](CNC(=O)[C@H]2CCS(=O)(=O)C2)C1 1035440755 ZBFBIXJBFCGICQ-STQMWFEESA-N 316.423 -0.186 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2CCN2[C@H]2CCN(C)C2=O)nn1 1038784084 RJELAYBWLSGPIN-AAEUAGOBSA-N 318.381 -0.501 30 20 DBED C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CN(C(C)=O)CCO1 1039464929 DOGHZJNNVKIUGJ-PMPSAXMXSA-N 319.405 -0.068 30 20 DBED C#CCN1[C@H]2CCC[C@H]1CN(C(=O)CN1CCOCC1=O)C2 1039645014 HIOLFCBYKDUZLE-KBPBESRZSA-N 305.378 -0.456 30 20 DBED CC(C)C#CC(=O)NC[C@]1(O)CCN(C(=O)c2ncc[nH]2)C1 1039663745 IUSRRDYIJBKPOK-OAHLLOKOSA-N 304.350 -0.238 30 20 DBED C[C@@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)c2ccnnc2)C1 1040766731 SEBZPAJJFJAUQG-IINYFYTJSA-N 303.322 -0.671 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CCOC3)C2)nn1 1040961630 MQBPWTNGEDKUIB-CYZMBNFOSA-N 317.349 -0.559 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)C[C@H]3CCOC3)C2)nn1 1040961632 MQBPWTNGEDKUIB-RAIGVLPGSA-N 317.349 -0.559 30 20 DBED C=CCCO[C@H](C)C(=O)NCC1(O)CN(C(=O)COC)C1 1041869410 IJNSQVKFVXVLEO-LLVKDONJSA-N 300.355 -0.697 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(O)(CNC(=O)[C@H](CC)OC)C1 1041904228 FBKMOMDQBHWWHC-FZMZJTMJSA-N 314.382 -0.572 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)c2cc(C)n(C)n2)C1 1042040114 OBPYZVLJVWDSIO-UHFFFAOYSA-N 322.365 -0.766 30 20 DBED N#Cc1ccc(C(=O)NCC2(O)CN(C(=O)c3ccon3)C2)[nH]1 1042609092 QROSHTMPTYSPTI-UHFFFAOYSA-N 315.289 -0.509 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)C2CC2)C1 1043650995 XOTHZXBDMWIHLN-ZDUSSCGKSA-N 305.378 -0.817 30 20 DBED CC(=O)N(C)CCCC(=O)NCC1(O)CN(C(=O)[C@H](C)C#N)C1 1044337828 LCLXLRMNDVNTTR-LLVKDONJSA-N 324.381 -0.906 30 20 DBED C=C1CC(C)(C(=O)NCC2(O)CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 1046306603 LGXMGQQVZYRUJC-GHMZBOCLSA-N 323.349 -0.303 30 20 DBED N#Cc1nc(=N[C@H]2C[C@@H](CNC(=O)[C@H]3CCNC3=O)C2)cc[nH]1 1046529227 KEFXTMQSZNYEPV-AXFHLTTASA-N 314.349 -0.787 30 20 DBED CN(C(=O)[C@H]1CC(=O)N(C(C)(C)C)C1)[C@H]1CN(CC#N)C[C@@H]1O 1047402878 XGBYIGWZRKJJCR-AVGNSLFASA-N 322.409 -0.340 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCN2C)C1 1048562781 TWAPSMJWISJKEG-ILXRZTDVSA-N 321.421 -0.230 30 20 DBED C#CCOCCC(=O)N[C@@H](C)[C@H]1CCN(C(=O)CNC(C)=O)C1 1049862600 LOLZHCYVACLPKS-JSGCOSHPSA-N 323.393 -0.484 30 20 DBED N#CCN1CCOC[C@H]1CNC(=O)[C@@H]1CCCN(C(N)=O)C1 1051014820 DZKRTHHGWBYRAO-VXGBXAGGSA-N 309.370 -0.882 30 20 DBED C#CCCN1CCOC[C@@H]1CNC(=O)c1cc(=O)c(OC)c[nH]1 1051028521 QYZDRESWTWNTSH-LBPRGKRZSA-N 319.361 -0.163 30 20 DBED CCC(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@@H]1n1ccnn1 1051389739 DTBRPVCNLGBGDZ-NEPJUHHUSA-N 312.337 -0.104 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1CNC(=O)Cn1cnnn1 1052549724 WPLSKCHYNDUNIP-YPMHNXCESA-N 316.365 -0.703 30 20 DBED N#CCN1CC2(C1)CN(C(=O)[C@@H]1CCCc3nn[nH]c31)CCO2 1053395302 XDZJLQLPWZSBPY-LLVKDONJSA-N 316.365 -0.339 30 20 DBED C=CCCOCC(=O)N1[C@H]2CC[C@@H]1C[C@H](CNC(=O)C(N)=O)C2 1054527436 KSHYTFUDGWHMLA-CLLJXQQHSA-N 323.393 -0.050 30 20 DBED COc1ccc(CN[C@@H]2CN(C(=O)C(N)=O)C[C@@H]2C)cc1C#N 1055019579 BFDSAZGDBAKMRQ-GXFFZTMASA-N 316.361 -0.011 30 20 DBED Cn1oc(C(=O)N2CCN(c3ccnc(C#N)n3)CC2)cc1=O 1055781102 QMBKIOPOZHHMDI-UHFFFAOYSA-N 314.305 -0.398 30 20 DBED CCC(=O)NCC(=O)N[C@]1(CO)CCCN(C(=O)[C@@H](C)C#N)C1 1055836805 GEIDHEQCIQRREN-XHDPSFHLSA-N 324.381 -0.858 30 20 DBED CC(C)(C)C#CC(=O)N1CCC[C@](CO)(NC(=O)CC(N)=O)C1 1055846192 RFYIKUZURRWJPL-INIZCTEOSA-N 323.393 -0.619 30 20 DBED CCn1ncc(C(=O)NC2[C@H]3CN(c4ccc(C#N)nn4)C[C@H]23)n1 1056202824 PYXOBWQAYOXENQ-QWRGUYRKSA-N 324.348 -0.176 30 20 DBED NC(=O)NCC(=O)N1CC[C@H]2[C@H]1CCCN2C(=O)C#CC1CC1 1056389368 KOSLJKOJDNTBCB-OLZOCXBDSA-N 318.377 -0.340 30 20 DBED N#CCSCC(=O)N1C[C@@H]2CCCN(C(=O)CC(N)=O)[C@@H]2C1 1056635032 YBDFCPMAHBMGAB-WDEREUQCSA-N 324.406 -0.432 30 20 DBED C=CCO[C@H](C)C(=O)NCCN(CCO)C(=O)CCOC 1056732953 FPCREVNQLKVMKF-GFCCVEGCSA-N 302.371 -0.449 30 20 DBED CN(c1cncc(C#N)n1)[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1 1056948252 WMCFIFWCFDARQL-NEPJUHHUSA-N 314.349 -0.336 30 20 DBED C#CCNC(=O)CC(=O)NCCN(CCO)C(=O)CCC1CC1 1057233924 IBVPSMKQXKOBTC-UHFFFAOYSA-N 323.393 -0.747 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)CCOCC(F)F 1057673684 MQUJEMPRULZTEP-JTQLQIEISA-N 321.324 -0.245 30 20 DBED N#Cc1ccc(N2CC[C@@H](NC(=O)Cn3cnnc3O)C2)nn1 1058320999 QFLQFNOYCKSXIL-SNVBAGLBSA-N 314.309 -0.960 30 20 DBED CCN(C)CCC(=O)N(CCO)CCNC(=O)C#CC(C)C 1058814981 FYVRYTDQZATWSM-UHFFFAOYSA-N 311.426 -0.075 30 20 DBED CN1CC[C@@H](C(=O)N[C@H]2C[C@H](N=c3cc[nH]cc3C#N)C2)C1=O 1059377080 OSERIGMWNJCYFJ-AVGNSLFASA-N 313.361 -0.087 30 20 DBED CN1CCO[C@@H](C(=O)N[C@H]2C[C@@H](Nc3nccnc3C#N)C2)C1 1059587151 IUIZJRRVMIHMHQ-NTZNESFSSA-N 316.365 -0.262 30 20 DBED C=CCCC(=O)NC[C@H]1COCCN1C(=O)[C@@H](COC)OC 1061410885 VCAKNVRVVAMXEG-QWHCGFSZSA-N 314.382 -0.042 30 20 DBED C=CCOCC(=O)N1CCOC[C@@H]1CNC(=O)c1cncn1C 1061686828 HHTVGBAHEHLCOO-LBPRGKRZSA-N 322.365 -0.420 30 20 DBED N#Cc1cncc(N2CC[C@@H](CNC(=O)[C@@H]3CCNC3=O)C2)n1 1061694492 JRCPICJTKNOHBZ-CMPLNLGQSA-N 314.349 -0.573 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)c1cn(C)c(O)n1 1061848716 UMLPSIPQWGDZFG-ZJUUUORDSA-N 321.337 -0.757 30 20 DBED C=CCOCCCC(=O)NCC1(NC(=O)CC(N)=O)CCC1 1062749833 QTEWQAFDPRTRTJ-UHFFFAOYSA-N 311.382 0.000 30 20 DBED N#Cc1cnc(N2CC[C@H]3CCN(C(=O)CC(N)=O)C[C@H]32)cn1 1064673469 POIBQYSZKXXMLA-ZYHUDNBSSA-N 314.349 -0.349 30 20 DBED C#CCOCCC(=O)N1CCO[C@H](CNC(=O)[C@H]2CCOC2)C1 1065150049 KHUZHSXZKVSLSU-UONOGXRCSA-N 324.377 -0.594 30 20 DBED N#CCSCC(=O)NC[C@H]1CN(C(=O)c2cnn[nH]2)CCO1 1065328825 ZOPHBJGHGXTVLI-VIFPVBQESA-N 324.366 -0.981 30 20 DBED Cc1cc(C#N)nc(N[C@H](C)[C@@H]2CCN(C(=O)C(N)=O)C2)n1 1065766108 DONJSMQUNXFBGA-NXEZZACHSA-N 302.338 -0.209 30 20 DBED N#Cc1cnc(NCC[C@H]2CCN(C(=O)CC(N)=O)C2)cn1 1066290472 RXQXTCHXAAUNAE-JTQLQIEISA-N 302.338 -0.126 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CCCN(C(=O)CCNC(N)=O)CC1 1066480603 FYKGEFOHTYLJLU-GHMZBOCLSA-N 309.370 -0.298 30 20 DBED Cn1nnc(C(=O)NCC2[C@H]3CN(c4ccc(C#N)nc4)C[C@H]23)n1 1068193248 XPTRJTHXKJUPMP-CHWSQXEVSA-N 324.348 -0.411 30 20 DBED COC[C@H](C)C(=O)N1CCOC2(CN(C(=O)[C@@H](C)C#N)C2)C1 1068351359 PMQLJOBWAKTSEF-RYUDHWBXSA-N 309.366 -0.132 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1COC2(C1)CN(C(=O)c1cncnc1)C2 1069003848 QEFGEHLOOWIKOC-CMPLNLGQSA-N 315.333 -0.264 30 20 DBED CNC(=O)CC(=O)NC1(CNC(=O)[C@@H](C)C#N)CCOCC1 1070086514 YRBOPIBADPAUOY-JTQLQIEISA-N 310.354 -0.936 30 20 DBED C=CCCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C(N)=O)CC1 1070378193 DCDHTWRJCPJQRZ-OCCSQVGLSA-N 322.409 -0.477 30 20 DBED CO[C@H](C)C(=O)N1CCC[C@@H](N2CCN(CC#N)CC2=O)C1 1071257112 RHUWRMJKGSBQTD-CHWSQXEVSA-N 308.382 -0.320 30 20 DBED C#CCN1CCC2(C1)CN(C(=O)C1CCS(=O)(=O)CC1)C2 1073028205 DJPFHHUTXZZFMV-UHFFFAOYSA-N 310.419 -0.021 30 20 DBED C[C@H](C#N)C(=O)N1CCC(C)(NC(=O)CCn2cnnn2)CC1 1073228614 DUKBDQNSZJUQFZ-LLVKDONJSA-N 319.369 -0.280 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)[C@H]2CCNC(=O)CC2)C1 1073714370 QWTYCYYSIKVRHD-ZIAGYGMSSA-N 307.394 -0.257 30 20 DBED C[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)CC[C@H]1NC(=O)CC(N)=O 1073840673 VURVKWGRDHFDCC-JOYOIKCWSA-N 317.349 -0.271 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(O)(CNC(=O)[C@@H]2[C@H]3COC[C@H]32)CC1 1074706928 RQBKYDYTUITNQZ-WUHRBBMRSA-N 321.377 -0.492 30 20 DBED C=CCCC(=O)NCC[C@H](C)NC(=O)CC[C@H]1NC(=O)NC1=O 1075885707 KEQKOMSPJMVONH-WDEREUQCSA-N 324.381 -0.048 30 20 DBED C#CCO[C@H](C)C(=O)NCC[C@H](C)NC(=O)CS(C)(=O)=O 1076510313 IQZRLVDHANKNPY-WDEREUQCSA-N 318.395 -0.920 30 20 DBED CCC(=O)N1CCC[C@H](C(=O)N[C@@H]2CN(CC#N)C[C@H]2O)C1 1077047911 XEXNVVZIRPGSSB-YNEHKIRRSA-N 308.382 -0.680 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(Cc2cnn(C)c2)C[C@H]1O 1077694020 AUSIIDODFWQISM-TUVASFSCSA-N 320.393 -0.328 30 20 DBED C#CCNC(=O)CC(=O)N1CC(N(CC)C(=O)[C@H]2CCCO2)C1 1079262901 SJKDRIZAKSOEBC-CYBMUJFWSA-N 321.377 -0.636 30 20 DBED C=CCOCC(=O)N1CC(N(CC)C(=O)[C@@H]2COCCO2)C1 1079353651 PRLLQUVSYVJDIT-ZDUSSCGKSA-N 312.366 -0.336 30 20 DBED CCN(C(=O)C#CC1CC1)C1CN(C(=O)[C@@H]2CN(C)CCO2)C1 1079737021 TYYTXJDQAKMJPT-HNNXBMFYSA-N 319.405 -0.210 30 20 DBED C=CCCOCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cc[nH]n2)C1 1081294923 KSJWWZPLBHBBFL-YPMHNXCESA-N 322.365 -0.449 30 20 DBED CC(C)C#CC(=O)N1C[C@H](CNC(=O)c2cocn2)[C@@H](O)C1 1081341415 POTGZZFESYEBIY-AAEUAGOBSA-N 305.334 -0.117 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)c2cnns2)C[C@@H]1O 1081463768 RUIVGHRZHNBDFA-MNOVXSKESA-N 322.390 -0.253 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(C(=O)c2ccncn2)C[C@@H]1O 1081472556 ZJIOCQRLQFLZTL-JSGCOSHPSA-N 314.345 -0.561 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1081489130 QDAABIQCYDOSOO-HUUCEWRRSA-N 318.373 -0.625 30 20 DBED CC(C)N(C)CC(=O)NC[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 1081550356 HOSXERBAGWZGKN-GJZGRUSLSA-N 321.421 -0.325 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](O)[C@H](CNC(=O)Cn2ccnc2)C1 1081580044 JBSFEXGKBYYZTL-ZIAGYGMSSA-N 318.377 -0.522 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2ccncn2)C1 1081684679 JCGLEWBKQVNQAP-YPMHNXCESA-N 304.350 -0.008 30 20 DBED C=CCCCC(=O)NC[C@@H]1CN(C(=O)c2cnnn2C)C[C@@H]1O 1081702296 DHTZIBDNMZNKOR-YPMHNXCESA-N 321.381 -0.280 30 20 DBED C#CCN1C[C@@H](NC(=O)C(=O)N2CCC[C@H](C)C2)[C@H](OC)C1 1082208165 AELRZBDHFIFUNY-BFHYXJOUSA-N 307.394 -0.307 30 20 DBED C#CCN1C[C@@H](NC(=O)Cc2ccc(C(N)=O)cc2)[C@H](OC)C1 1082389809 JJACCMJDYXUJOD-HUUCEWRRSA-N 315.373 -0.223 30 20 DBED C=CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1C[C@@H](C)CC(=O)N1 1083084842 JKCPRKBVPHABJN-YIYPIFLZSA-N 307.394 -0.001 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)c2nc(C)c(C)[nH]c2=O)C1 1083559228 ADBITZCSZQGYGG-NEPJUHHUSA-N 304.350 -0.815 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCCN(C(C)=O)C2)C1 1083618879 UHRNIYDXNGLWID-KFWWJZLASA-N 307.394 -0.571 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)c2c[nH]nc2[C@H]2CCOC2)C1 1083674356 XHLIVMUTOANUJJ-UHTWSYAYSA-N 306.366 -0.126 30 20 DBED C=CCOc1cccnc1C(=O)N[C@@H]1CN(CCO)C[C@@H]1O 1083935131 NTZNCBHVOZZRIO-NEPJUHHUSA-N 307.350 -0.586 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(C[C@@H]3CCOC3)C[C@@H]2O)nc1 1083969428 BFSWXGYUXIMQPT-IMJJTQAJSA-N 315.373 -0.126 30 20 DBED C#CCN1CC[C@@H]2CCN(C(=O)[C@@H]3CCS(=O)(=O)C3)C[C@@H]21 1084983841 QGTVMIHFBYMGTB-MCIONIFRSA-N 310.419 -0.023 30 20 DBED C#CCN1C[C@H]2CC[C@H]1[C@H]1CN(C(=O)C3CS(=O)(=O)C3)C[C@H]21 1087358908 NVMSEGRGGZDPBJ-RZFFKMDDSA-N 322.430 -0.167 30 20 DBED C[C@@H](C[C@@H](C)N=c1cc[nH]c(C#N)n1)NC(=O)CC(=O)N(C)C 1089487775 PREKXVWTWAWBBZ-MNOVXSKESA-N 318.381 -0.056 30 20 DBED COCCC(=O)N[C@@H]1CN(c2cc(C)ncc2C#N)C[C@H]1O 1090361534 YILOYQWYXVCOLS-TZMCWYRMSA-N 304.350 -0.036 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2cnn3c2OCCC3)[C@H](O)C1 1090397887 VAJFNMKOZUKRFA-ZIAGYGMSSA-N 318.377 -0.146 30 20 DBED C=C(C)CCC(=O)N[C@@H]1CN(c2nccn3nnnc23)C[C@H]1O 1090491445 HKLSNSYPVKYYGW-GHMZBOCLSA-N 317.353 -0.459 30 20 DBED COCCC(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1OC 1090854059 PSOAIEHSXHYAJW-GHMZBOCLSA-N 305.338 -0.295 30 20 DBED COC[C@H](OC)C(=O)N1C[C@@H](N=c2cc[nH]c(C#N)n2)[C@H](C)C1 1091022936 NCWTVGRFGFIYIN-UTUOFQBUSA-N 319.365 -0.310 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CN(CC(N)=O)C[C@@]2(C)C1 1091748172 DETUEBNVXJQRQH-KEYYUXOJSA-N 318.421 -0.650 30 20 DBED C#CCCN1C[C@@H]2CN(C(=O)Cn3ncn(C)c3=O)C[C@]2(C)C1 1091803024 JCKMLNMHJDPGMV-CJNGLKHVSA-N 317.393 -0.615 30 20 DBED CNC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nccnc1C#N 1092820924 NHRKNEQIQNICOJ-SCVCMEIPSA-N 314.349 -0.290 30 20 DBED C[C@@H](C(=O)NCCNc1nccnc1C#N)N1CCOCC1 1093730398 FAKMJRLRWFBIQQ-NSHDSACASA-N 304.354 -0.403 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)c3cc(C)on3)CC2=O)C1 1094697768 RKPNBLYCTMSKMZ-LLVKDONJSA-N 302.334 -0.369 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)[C@@H]3CCCN3C)CC2=O)C1 1094713567 DDNXOVJFHNJNLU-OCCSQVGLSA-N 306.410 -0.332 30 20 DBED CCc1n[nH]cc1C(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1 1094753299 HHXPZOQJKKPXOG-JTQLQIEISA-N 316.365 -0.489 30 20 DBED C#CCCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cn1c(O)nnc1O 1096437344 BZBBOMUNJNZIJC-VWYCJHECSA-N 305.338 -0.566 30 20 DBED N#Cc1cnc(N2CCCC[C@@H]2CNC(=O)CNC(N)=O)cn1 1097392202 CAPNFOZOASYMCF-LLVKDONJSA-N 317.353 -0.508 30 20 DBED Cc1nc(CC(=O)NC[C@H](C)Nc2cnc(C#N)cn2)n[nH]1 1097806569 PGOMVXSRTRBHJQ-QMMMGPOBSA-N 300.326 -0.066 30 20 DBED C[C@@H](CNC(=O)C[C@@H]1CCC(=O)N1)N=c1cc[nH]cc1C#N 1097950678 UCXSPYNWCSNENW-JQWIXIFHSA-N 301.350 -0.040 30 20 DBED C[C@@H](CNC(=O)C[C@@H](C)NC(N)=O)Nc1cncc(C#N)n1 1098075960 JLWSLGXZOWJTSP-BDAKNGLRSA-N 305.342 -0.288 30 20 DBED C=CCCOCC(=O)N1CC[C@@H](n2cc(CNCCO)nn2)C1 1098789987 MDKDVIAKKZFEBG-CQSZACIVSA-N 323.397 -0.274 30 20 DBED C[C@H](CCNC(=O)CNC(=O)C1CC1)N=c1cc[nH]c(C#N)n1 1098921211 RBYUULZFYPZTGV-SNVBAGLBSA-N 316.365 -0.397 30 20 DBED COCCCN1CC[C@H](NC(=O)CSCC#N)[C@@H](O)C1 1099686127 AXCQILDGADTBTJ-RYUDHWBXSA-N 301.412 -0.169 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)CCNS(C)(=O)=O)[C@@H](O)C1 1099860948 KJWMBRCFNFZRFX-NEPJUHHUSA-N 319.427 -0.947 30 20 DBED CC#CCN1CC[C@H](NC(=O)C(C)(C)NC(=O)NCC)[C@@H](O)C1 1100023988 CBAWMYDNKXQVHX-STQMWFEESA-N 324.425 -0.341 30 20 DBED CN(CCNC(=O)CCn1ccnn1)c1cnc(C#N)cn1 1100075244 AYBUNUGKRYNYHQ-UHFFFAOYSA-N 300.326 -0.418 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1CC(NCc2cnnn2C)C1 1100322108 BNZYXYMHRPGUAA-HIFPTAJRSA-N 305.382 -0.162 30 20 DBED CC#CCNC1CC(CNC(=O)CN2CCN(C)C(=O)C2)C1 1100465034 MMYVHTKGOJDYHT-UHFFFAOYSA-N 306.410 -0.732 30 20 DBED C#CCNC1CC(CNC(=O)CN(C)CC(=O)NC(C)C)C1 1100480222 GVZATWUIEIDHAE-UHFFFAOYSA-N 308.426 -0.440 30 20 DBED CCN(CCNC(=O)Cn1cncn1)c1nc(C)cc(C#N)n1 1100529291 SXUPXNGWZVMUQB-UHFFFAOYSA-N 314.353 -0.109 30 20 DBED CCCN(CCNC(=O)[C@H](C)NC(N)=O)c1cncc(C#N)n1 1101139509 IKNLUPISJWXIDD-JTQLQIEISA-N 319.369 -0.262 30 20 DBED CNC(=O)NCC(=O)NCCN(c1ccc(C#N)cn1)C1CC1 1101460915 CQLALLPAIZHBBD-UHFFFAOYSA-N 316.365 -0.033 30 20 DBED CN(CCNc1cncc(C#N)n1)C(=O)C[C@H]1CCC(=O)N1 1101678333 OYBMGZIZDSFLBF-SNVBAGLBSA-N 302.338 -0.113 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(CC(=O)NC(=O)NC)C[C@H]1C 1101919402 LNJUPGQIAWMFOA-CHWSQXEVSA-N 322.409 -0.070 30 20 DBED C=CCCN1C[C@@H](C)[C@H](CNC(=O)Cn2ncn(C)c2=O)C1 1102106338 ISPQPZZTMXBIQN-CHWSQXEVSA-N 307.398 -0.158 30 20 DBED CC(=O)NCC(=O)N[C@H]1CCCCN(c2ccc(C#N)nn2)C1 1102838243 PMSLZROFEYMXKW-ZDUSSCGKSA-N 316.365 -0.041 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1CCNC(=O)CN(C)S(C)(=O)=O 1103049891 JRAFXVKJZHKVLE-VXGBXAGGSA-N 316.427 -0.524 30 20 DBED C[C@@H](CNC(=O)[C@@H]1COCCN1C)CNc1ccc(C#N)nn1 1103922610 GTUOWNIGMLSQGC-YPMHNXCESA-N 318.381 -0.157 30 20 DBED C[C@@H](CNC(=O)Cc1nc[nH]n1)CNc1cnc(C#N)cn1 1104075188 JLFYLABIINCQSC-SECBINFHSA-N 300.326 -0.127 30 20 DBED CNC(=O)NCC(=O)NC[C@@H](C)CNc1cncc(C#N)n1 1104246355 QIXPKPSVXZYVEY-VIFPVBQESA-N 305.342 -0.559 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)[C@@H]1CN(C)C(=O)N1 1104766329 HRGXQYRNIARWOK-ZJUUUORDSA-N 317.353 -0.947 30 20 DBED CC(C)C[C@H](CN=c1cc[nH]cc1C#N)NC(=O)CNC(N)=O 1104906144 CZZUGUCQYZQJST-GFCCVEGCSA-N 318.381 -0.014 30 20 DBED C#CCNCc1cn(C2CN(C(=O)C3=CCOCC3)C2)nn1 1105218028 SNQCLLBFGRIVNP-UHFFFAOYSA-N 301.350 -0.269 30 20 DBED C#CCNCc1cn(C2CN(C(=O)[C@H](C(C)C)N(C)C)C2)nn1 1105264558 LCHVYQFTYVANMV-HNNXBMFYSA-N 318.425 -0.030 30 20 DBED N#CCNCc1cn(C2CN(C(=O)Cc3cnoc3)C2)nn1 1105310360 YWTJQBXDLVUFDY-UHFFFAOYSA-N 301.310 -0.495 30 20 DBED C[C@H](NC(N)=O)C(=O)N(C)CCN(C)c1ccc(C#N)nc1 1105380092 ZIKVAYDHDWYUPE-JTQLQIEISA-N 304.354 -0.095 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNc1ncnc2c1CN(C)CC2 1105771539 NOOHQNANWNLWHV-MNOVXSKESA-N 318.381 -0.487 30 20 DBED Cn1cnc(C(=O)NC[C@H](O)CNc2ccc(C#N)cn2)c1 1105793320 ZXVNNINYXXZKNT-LLVKDONJSA-N 300.322 -0.110 30 20 DBED C[C@@](O)(CC(=O)NC[C@@H](O)CNc1cnc(C#N)cn1)C1CC1 1105826782 KCARQFMZWCBGHG-SWLSCSKDSA-N 319.365 -0.212 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@@H]1CN(C(=O)CC(C)(C)O)C[C@H]1C 1106070944 LEAIGLIFOITGGY-HZSPNIEDSA-N 323.437 -0.031 30 20 DBED CC[C@H](NC(C)=O)C(=O)NC[C@H](O)CNc1ncccc1C#N 1106124119 WYPMRVZHQNJQDG-OLZOCXBDSA-N 319.365 -0.243 30 20 DBED C=CCn1cc(C(=O)NC[C@@H](O)CNc2cc(F)ncn2)nn1 1106132106 SICMAVPNPDIDPD-VIFPVBQESA-N 321.316 -0.404 30 20 DBED C=CCNC[C@@H]1CN(C(=O)CCNS(C)(=O)=O)C[C@H]1C 1106203230 NOZYXUKMXOHMMC-VXGBXAGGSA-N 303.428 -0.204 30 20 DBED C[C@@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)[C@H]1COCCN1C 1106277432 GGDRKCWHORNQCD-NWDGAFQWSA-N 318.381 -0.593 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)[C@H]1CCNC(=O)C1 1106729518 GREWEYNBWXVSMG-NSHDSACASA-N 316.365 -0.443 30 20 DBED C#CCN1CC(n2cc(CNC(=O)[C@@H](C)n3cncn3)nn2)C1 1107159438 PCTSJRXSZJBBRR-LLVKDONJSA-N 314.353 -0.763 30 20 DBED C[C@@H](CN=c1cc[nH]cc1C#N)NC(=O)[C@H]1COCCN1C 1108319890 LLWZOZOQIINNFM-SMDDNHRTSA-N 303.366 -0.378 30 20 DBED COCC#CCN1CCO[C@@](C)(CNC(=O)Cn2ccnc2)C1 1108435964 HCSHZSWEZWKUFN-INIZCTEOSA-N 320.393 -0.260 30 20 DBED C#CCN1CCN(C(=O)C#CC(C)(C)C)[C@@H]2CS(=O)(=O)C[C@@H]21 1108472124 JANPUNAIFIAOKF-UONOGXRCSA-N 322.430 -0.021 30 20 DBED CC#CCN1CC(N2C[C@@H](NC(=O)[C@H](C)OCC)CC2=O)C1 1108513136 BCOSVLQHHVDAHQ-STQMWFEESA-N 307.394 -0.164 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)CN(C)C(C)C)CC2=O)C1 1108592095 MGTDUEOIPCUCPC-ZDUSSCGKSA-N 306.410 -0.639 30 20 DBED C[C@H](CN(C)c1ccncc1C#N)NC(=O)CCn1cnnn1 1109052975 DDSVITWDTVJMGZ-LLVKDONJSA-N 314.353 -0.029 30 20 DBED CC(=O)N[C@H](C)C(=O)NCC1(Nc2nccnc2C#N)CC1 1110056368 RRVVCGWTGWFGTG-SECBINFHSA-N 302.338 -0.066 30 20 DBED C[C@@]1(C(=O)NCC2(Nc3ccnc(C#N)n3)CC2)CCNC1=O 1110344453 HWDCNJCGPJCYJX-CQSZACIVSA-N 314.349 -0.065 30 20 DBED C=C[C@@](C)(O)CC(=O)N(C)[C@H]1CN(c2cc(F)ncn2)C[C@@H]1O 1111180481 ZLZBVVHZFIGCIT-ZIBATOQPSA-N 324.356 -0.049 30 20 DBED CCCOCC(=O)N(C)[C@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1111184439 JVMXRXWDGYRCBT-STQMWFEESA-N 319.365 -0.217 30 20 DBED CC(C)(O)CC(=O)N(CCO)CCNc1ccc(C#N)nn1 1111459207 TVFJEOFHVQDFMK-UHFFFAOYSA-N 307.354 -0.258 30 20 DBED C=CCCOCC(=O)N(CCO)CCN=c1cc[nH]c(C#N)n1 1111483309 YHKGJJXLDMCUBM-UHFFFAOYSA-N 319.365 -0.404 30 20 DBED CC(=O)NCC(=O)NC[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1O 1112694675 JHQJMTGHWBAZAN-BXUZGUMPSA-N 317.349 -0.997 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)CCc2ccccn2)CC1 1113183015 DSIQNVDPTFFEML-UHFFFAOYSA-N 315.377 -0.202 30 20 DBED COCC#CCN1CCN(C(=O)COC2CCOCC2)CC1 1113396670 NLKWRDXMHOMOBX-UHFFFAOYSA-N 310.394 -0.024 30 20 DBED C[C@@H](CNC(=O)CNC(=O)C1CC1)N(C)c1nccnc1C#N 1113505200 UQCYMUJZXVBHCL-JTQLQIEISA-N 316.365 -0.185 30 20 DBED C[C@H](CNC(=O)CCCC(N)=O)N(C)c1cncc(C#N)n1 1113644566 CGILZLJQLCLVEQ-SNVBAGLBSA-N 304.354 -0.055 30 20 DBED N#CCNC(=O)CN1C[C@@H]2C(NC(=O)Cc3cccs3)[C@H]2C1 1113777157 GFYRBTYMGHFXKI-RYUDHWBXSA-N 318.402 -0.023 30 20 DBED C#CCC1(C(=O)N[C@H]2[C@@H]3CN(CC(=O)NC)C[C@@H]32)CCOCC1 1114389242 PGEQERUAAJPGRX-NHAGDIPZSA-N 319.405 -0.401 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)[C@H]3CCCN3C)[C@H]2C1 1114695732 KMBCNWDVWWAWSN-RWMBFGLXSA-N 306.410 -0.571 30 20 DBED C=CCNC(=O)NC(=O)CSc1nnc(Cn2cncn2)o1 1115815865 WIUOHDVONZQPID-UHFFFAOYSA-N 323.338 -0.187 30 20 DBED C#CCNC(=O)C1CCN(S(=O)(=O)Cc2ccon2)CC1 1116932724 UFEYRHQMAWTPIS-UHFFFAOYSA-N 311.363 -0.034 30 20 DBED CN(CC(=O)N1CCCC1)C(=O)C(=O)NCC1(CC#N)CC1 1118650245 ROFQOMSOLYZHPL-UHFFFAOYSA-N 306.366 -0.123 30 20 DBED N#Cc1cnc(N[C@H](CO)CNC(=O)C2=COCCC2)cn1 1121199354 YOJSSLCEBFLCOZ-LBPRGKRZSA-N 303.322 -0.068 30 20 DBED Cc1nn(C)cc1C(=O)NC[C@H](CO)Nc1ccc(C#N)nn1 1121212414 GERYHDIKJXQCJV-LLVKDONJSA-N 315.337 -0.407 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)C[C@H]2COC(=O)C2)nc1 1121304427 XNFPQTOVRSGVKI-NEPJUHHUSA-N 318.333 -0.205 30 20 DBED Cc1nscc1C(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1 1121352847 GPIHJAIMYKBASK-VIFPVBQESA-N 318.362 -0.262 30 20 DBED N#Cc1cnc(N[C@@H](CO)CNC(=O)[C@@H]2CCCCO2)cn1 1121453844 FOOKFFJFLUDQCT-NEPJUHHUSA-N 305.338 -0.194 30 20 DBED CN(C[C@@H](O)CNc1cccc(F)c1C#N)C(=O)CNC(N)=O 1124076811 PNWYJURJBNMTDA-VIFPVBQESA-N 323.328 -0.403 30 20 DBED CS[C@@H](C)C(=O)N(C)C[C@H](O)CN=c1cc[nH]c(C#N)n1 1124105440 NEYNGPSLNJZKGG-VHSXEESVSA-N 309.395 -0.247 30 20 DBED CC(C)[C@@H](O)C(=O)N(C)C[C@@H](O)CNc1cnc(C#N)cn1 1124296242 ZDEKCPDQZLMEAM-WCQYABFASA-N 307.354 -0.404 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](O)CN(C)C(=O)[C@H](O)C(C)C)n1 1124296249 ZKFCVMQDXSGRFR-CHWSQXEVSA-N 321.381 -0.095 30 20 DBED Cc1n[nH]cc1C(=O)N(C)C[C@@H](O)CN=c1cc[nH]cc1C#N 1124628650 UJFMGWSFOVVDTO-LBPRGKRZSA-N 314.349 -0.048 30 20 DBED C[C@@H]1CN(C(=O)CNCCNC(=O)C#CC2CC2)C[C@@H](C)O1 1126886550 WQVJTPSSWXKNMY-CHWSQXEVSA-N 307.394 -0.259 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)CCOCC(F)F 1127428105 IHVYCGGZPHKDTO-JTQLQIEISA-N 305.325 -0.498 30 20 DBED N#CCN1CCn2ncc(CNC(=O)C[C@H]3COC(=O)C3)c2C1 1128295788 WPPFJQGGENGYOL-LLVKDONJSA-N 317.349 -0.208 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)COCC2CC2)C1 1128741250 PZXJFNYXVMLJOE-KGLIPLIRSA-N 303.366 -0.321 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)Cc1ccccc1 1130347476 KKKFSIMGEPKXFY-UHFFFAOYSA-N 318.377 -0.053 30 20 DBED C#CCN1CCOC[C@H]1c1n[nH]c(CNC(=O)CCN(C)C)n1 1130857060 ROEOYYXNXHBMJN-LBPRGKRZSA-N 320.397 -0.621 30 20 DBED C#CCN1CC[C@]2(C1)CN(C(=O)CCNC(N)=O)C[C@H](C)O2 1131697244 IGCLCNMEGCPQAO-WFASDCNBSA-N 308.382 -0.630 30 20 DBED C[C@H]1CCN(C(=O)CN(C)S(C)(=O)=O)C[C@@H]1CNCC#N 1132865026 GPCSJSDHAMFPET-RYUDHWBXSA-N 316.427 -0.524 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)[C@@H]1CC[C@@H](F)C1 1132953881 IMFGHCUTKRDDTJ-GHMZBOCLSA-N 314.361 -0.158 30 20 DBED COCC#CCN[C@@H](C)C[C@H](C)NC(=O)CS(C)(=O)=O 1133836850 VBJOBKJSHZDLNJ-RYUDHWBXSA-N 304.412 -0.446 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)COCCOC 1133926223 FKDCWZOKELXPKF-OLZOCXBDSA-N 313.398 -0.728 30 20 DBED C=CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)c1cn(C)c(O)n1 1135387278 MUPYVOICFWFUFB-WDEREUQCSA-N 323.397 -0.086 30 20 DBED COCC#CCN1CCCO[C@@H](CNC(=O)[C@H](O)C(C)C)C1 1149666975 QQPYFVPBDKIBEQ-LSDHHAIUSA-N 312.410 -0.140 30 20 DBED CC#CCN1CCCO[C@H](CNC(=O)CCc2cnn(C)n2)C1 1150325293 PLAPWKIRZXZLEC-OAHLLOKOSA-N 319.409 -0.022 30 20 DBED C#CCOCCC(=O)NC[C@@H](C)N(CC)C[C@@H](O)COC 1153302839 TYXABAQXHCEPAV-ZIAGYGMSSA-N 300.399 -0.140 30 20 DBED N#Cc1ccc(C(=O)NCCCNCCN2C(=O)CNC2=O)[nH]1 1156691542 TZSYLJJYDIJRTP-UHFFFAOYSA-N 318.337 -0.852 30 20 DBED CCc1nn(C)cc1C(=O)NCCCNCC(=O)NCC#N 1160545578 LTGIJHZGSZTJEZ-UHFFFAOYSA-N 306.370 -0.668 30 20 DBED C=CCC[C@@H](C)NCCCNC(=O)CNC(=O)CNC(C)=O 1161168152 QBEDIVYYGPBYBX-GFCCVEGCSA-N 312.414 -0.311 30 20 DBED COCC1(CNC(=O)[C@H]2COCCN2C)CCN(CC#N)CC1 1162219100 OMDSXSOMPKDQCJ-CQSZACIVSA-N 324.425 -0.315 30 20 DBED C#CCNC(=O)CNCC1(CCNC(=O)c2cnccn2)CC1 1163210327 FLMOWESQDFQNGB-UHFFFAOYSA-N 315.377 -0.284 30 20 DBED C#CCCNCC1(CCNC(=O)[C@H]2CCS(=O)(=O)N2)CC1 1168191909 JVRJKXPDLKXXQG-GFCCVEGCSA-N 313.423 -0.423 30 20 DBED N#CCNC(=O)CNCCCNC(=O)c1ccc2nncn2c1 1168261293 GHPUSZMMVHEIBS-UHFFFAOYSA-N 315.337 -0.921 30 20 DBED C[C@H](CCCCNCC(=O)NCC#N)NC(=O)[C@H]1CCCN1C 1169798435 PBNFMJDFJWKCMO-ZIAGYGMSSA-N 323.441 -0.015 30 20 DBED CC(C)C(=O)N1CC[C@H]2OCCN(CC(=O)NCC#N)[C@@H]2C1 1176912505 KYOKYWQGDMZOLI-CHWSQXEVSA-N 308.382 -0.416 30 20 DBED COCC#CCN[C@H]1CCN(C(=O)c2ccc(C(N)=O)[nH]2)[C@H]1C 1179549694 GKPJUFNISDYUAS-RYUDHWBXSA-N 318.377 -0.044 30 20 DBED C#CCCN[C@H]1CCN(C(=O)C2CC3(C2)NC(=O)NC3=O)[C@H]1C 1179694751 CETKXTDPKMXBFC-IRDPIATMSA-N 318.377 -0.423 30 20 DBED COCC#CCN[C@H]1CCN(C(=O)C[C@H]2CC(=O)NC2=O)[C@H]1C 1180325439 VPDOJTPAPCZPBE-XQQFMLRXSA-N 321.377 -0.732 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)c2nccnc2N)C1 1181717065 ZYBMGBIREPUSAH-SNVBAGLBSA-N 304.354 -0.835 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)[C@@H]2CCc3nncn3C2)C1 1188072017 DBRDZRHRYFPCLO-ZIAGYGMSSA-N 317.393 -0.319 30 20 DBED CN(CCS(C)(=O)=O)[C@@H]1CCN(C(=O)CSCC#N)C1 1188958310 FIONCMJXLDNBCB-LLVKDONJSA-N 319.452 -0.180 30 20 DBED C[C@@H](C(=O)N1CC[C@@H](N(C)CC(=O)NCC#N)C1)n1cccn1 1188974828 XFBRMVDZNDIIBY-QWHCGFSZSA-N 318.381 -0.383 30 20 DBED C=CCNC(=O)[C@@H](C)N(C)[C@@H]1CCN(C(=O)Cn2nccn2)C1 1190382417 XYFDNSZJOHEDQG-CHWSQXEVSA-N 320.397 -0.499 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2cnc(O)n2C)C1 1191706763 KJDNHBKQYFLNQX-LLVKDONJSA-N 321.381 -0.426 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CN(Cc2nn(C)cc2Cl)C[C@H]1O 1191873080 SDESSSANYCPKFG-GGZOMVNGSA-N 311.773 -0.106 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(CCC(F)(F)F)C[C@H]1O 1192397292 WKNOFQFVTALCBX-NXEZZACHSA-N 321.299 -0.760 30 20 DBED C=CCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)N2C(=O)CCC2=O)C1 1193473166 LUHFGCGROQIBQY-JHJVBQTASA-N 323.393 -0.349 30 20 DBED C=CCOCC(=O)N1CCCN([C@H]2CCC(=O)NC2=O)CC1 1195283726 HKHSSXGYAUCOTB-LBPRGKRZSA-N 309.366 -0.472 30 20 DBED C=C(C)CN(CC)C(=O)CN1CCCN(C(=O)CC(N)=O)CC1 1195364459 SGXGITYSSVUINW-UHFFFAOYSA-N 324.425 -0.179 30 20 DBED CCCC1(C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@H]2O)CCC1 1195501894 ZFTSLNSCSOTHBM-CHWSQXEVSA-N 322.409 -0.242 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC23CCC3)C1 1196436884 AQCGGONQSBTKBR-YNEHKIRRSA-N 305.378 -0.913 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)COCc2cccnc2)C1 1198207599 LVTKQJCFOVADNH-HUUCEWRRSA-N 303.362 -0.217 30 20 DBED C#CCNC(=O)[C@H](C)NC1CCN(C(=O)CN(C)C(C)=O)CC1 1199414498 MYILSDDECGHQCL-LBPRGKRZSA-N 322.409 -0.817 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@H]1CN(C(=O)C2CC2)CCCO1 1199672738 NJZPKUVUYSMKHR-OCCSQVGLSA-N 307.394 -0.259 30 20 DBED C#CCCNC[C@H]1CN(C(=O)c2ccc(=O)n(C)n2)CCCO1 1202006661 SYQSQJSWLNMYNJ-ZDUSSCGKSA-N 318.377 -0.376 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)c2cn(C)c(=O)n2C)CCCO1 1202165967 SVAGCKWIMJAUJD-CYBMUJFWSA-N 320.393 -0.432 30 20 DBED C#CCCNCC1CCN(C(=O)CCCS(N)(=O)=O)CC1 1206101256 WENRFDDKUJUFMW-UHFFFAOYSA-N 315.439 -0.093 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[nH]2)C[C@H]1C 1206964050 VFXDOGGHGKLCQJ-IJLUTSLNSA-N 321.381 -0.917 30 20 DBED N#CCNC(=O)CN[C@H]1CCCN(C(=O)c2cnsn2)C1 1207505653 CFOGWRBJDGHPQZ-VIFPVBQESA-N 308.367 -0.628 30 20 DBED N#CCNC(=O)CN[C@H]1CCCN(C(=O)C2=COCCC2)C1 1207627701 BRHQQURXPHWWRR-ZDUSSCGKSA-N 306.366 -0.099 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)C1CCN(C)CC1 1208494005 AHMPSWXKRPCFDO-TZMCWYRMSA-N 321.425 -0.596 30 20 DBED CC#CCN[C@@H]1CCCN(C(=O)C(C)(C)NS(C)(=O)=O)C1 1210011063 TXVAQKRMEPCFGU-GFCCVEGCSA-N 315.439 -0.082 30 20 DBED C#CCCN[C@@H]1CCCN(C(=O)CCCN2C(=O)CNC2=O)C1 1211014727 MIOTYZZAQLZXCF-CYBMUJFWSA-N 320.393 -0.078 30 20 DBED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)[C@H](C)SC 1211909145 PEZWFPODTUEOJD-HBNTYKKESA-N 314.411 -0.807 30 20 DBED COCC#CCN1C[C@@H](NC(=O)c2nonc2C)[C@H](OC)C1 1213981961 SEHXXUQHMHDDPA-VXGBXAGGSA-N 308.338 -0.543 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)c2cc(C(N)=O)c[nH]2)C[C@H]1C 1216077907 QWUJGPFUASWMNB-BXUZGUMPSA-N 318.377 -0.187 30 20 DBED CC(C)C(C)(C)C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@@H]1O 1219697450 RAZVCXHWULTCKO-NEPJUHHUSA-N 310.398 -0.530 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1CN(C[C@H](O)Cn2cccn2)C[C@@H]1O 1220147741 LJZIVAAOPAZXOG-MJBXVCDLSA-N 322.409 -0.383 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)[C@H](COC)OC)C1 1220318337 OEFLMVPSIXYDMK-AGIUHOORSA-N 302.371 -0.988 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)CCCOC2CCOCC2)C1 1220732029 HXSLMXGBCIMZIR-KGLIPLIRSA-N 311.382 -0.353 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)CS(=O)(=O)C(C)(C)C)C1 1220757750 WBFAKGVUTLXYHR-NEPJUHHUSA-N 318.439 -0.063 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)C23CCN(CC2)C3)C1 1220771132 GJAMAMRWMNPOAD-KGLIPLIRSA-N 309.410 -0.554 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(CCCOC)C[C@@H]2O)nc1 1220792764 FPXZLGBWPFASJZ-CABCVRRESA-N 303.362 -0.126 30 20 DBED C=CCC1(C(=O)N[C@@H]2CN(C[C@H](C)O)C[C@@H]2O)CCOCC1 1220871458 GWSUFKNCSBPFFO-MJBXVCDLSA-N 312.410 -0.099 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CCN(CCNS(C)(=O)=O)C[C@H]21 1221448928 SDQJFPDFYWINJW-QJPTWQEYSA-N 314.411 -0.772 30 20 DBED C=CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)Cc1ccn(C)n1 1234150086 GVKWJJUXMIXHOC-CQSZACIVSA-N 319.409 -0.203 30 20 DBED Cc1cccc(NC(=O)C(=O)NCC2(CO)COC2)c1C#N 1253398281 IDKMERFQUORAPM-UHFFFAOYSA-N 303.318 -0.070 30 20 DBED N#C[C@]1(F)CCN(C(=O)C(=O)N2CC(OCC(F)F)C2)C1 1261872676 WXFWNJIZEMTWHF-GFCCVEGCSA-N 305.256 -0.057 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)c2ccc(F)nc2)C1 1318319942 PJVWYYOHBMXSMM-GFCCVEGCSA-N 304.325 -0.226 30 20 DBED CN1C(=O)C(=O)N(CC(=O)Nc2ccc(OCC#N)cc2)C1=O 1318499633 NBXAXQDMUFPINP-UHFFFAOYSA-N 316.273 -0.052 30 20 DBED CC(C)[C@@H](CO)NC(=O)NCCN/C(O)=C1\N=CC=CC1=O 1323580780 XIJJPTBEXLEKOG-LRZCVGBLSA-N 310.354 -0.171 30 20 DBED CC(C)OC(=O)[C@H](C)CNC(=O)C(=O)N1CCO[C@@H](C#N)C1 1325200581 NPYYZSRCOUBDQX-MNOVXSKESA-N 311.338 -0.559 30 20 DBED N#C[C@H]1CC[C@@H](NC(=O)C(=O)N[C@H]2CCCS(=O)(=O)C2)C1 1326237907 FYYCXKFNVVHHOH-AXFHLTTASA-N 313.379 -0.512 30 20 DBED COCCN(C)CCNC(=O)C(=O)N1CCC[C@@H](CC#N)C1 1328329203 JTUQBPCWVXGWLO-ZDUSSCGKSA-N 310.398 -0.167 30 20 DBED CCONC(=O)CNC(=O)C(=O)N[C@@H](C)c1ccc(C#N)cc1 1328883452 IJKLGZYKTXNDHD-JTQLQIEISA-N 318.333 -0.081 30 20 DBED COC(=O)C1(C#N)CCN(C(=O)C(=O)N(C)C[C@@H](C)N)CC1 1331866450 XOMNRYBMQVBRCX-SNVBAGLBSA-N 310.354 -0.903 30 20 DBED C=CCn1c(N2CCO[C@@H](C(=O)OC)C2)nnc1C1(O)CC1 1339611592 QOSNXPAQRWSEKJ-SNVBAGLBSA-N 308.338 -0.176 30 20 DBED N#Cc1cccc(NC(=O)C(=O)NCCNC(=O)C2CC2)n1 1349139453 UYNJGFDLYZMCRD-UHFFFAOYSA-N 301.306 -0.466 30 20 DBED N#C[C@@]1(F)CCN(C(=O)C(=O)N2CC[C@H](N3CCOC3=O)C2)C1 1350238336 DNWCAVIIKILUFZ-HZMBPMFUSA-N 324.312 -0.496 30 20 DBED CC(C)(C#N)CC(=O)N1CCC[C@@H](CNS(N)(=O)=O)C1 1361654579 GWPFBULMAHKICZ-JTQLQIEISA-N 302.400 -0.042 30 20 DBED C[C@]1(CCCO)CCCN1C(=O)Cn1cc(C#N)c(O)nc1=O 1362615799 UPPNXWGGUONTOI-OAHLLOKOSA-N 320.349 -0.026 30 20 DBED CNC(=O)[C@@H](O)CNC(=O)C1(c2cc(F)cc(C#N)c2)CC1 1364508171 QPUFMNCQAMOLMO-LBPRGKRZSA-N 305.309 -0.048 30 20 DBED CS(=O)(=O)CCn1cccc(NC(=O)N2CC(C#N)C2)c1=O 1365171121 NNUWDAQOTAOHMX-UHFFFAOYSA-N 324.362 -0.120 30 20 DBED CCN(CCC#N)C(=O)CN1CC(CNC(=O)[C@@H](C)OC)C1 1377956195 NEWCJICTPWCNJV-GFCCVEGCSA-N 310.398 -0.169 30 20 DBED C=C(Cl)CNC[C@@H](C)NC(=O)Cn1nc(C)n(C)c1=O 1379455722 JEZIEDZOWXQGHE-SECBINFHSA-N 301.778 -0.263 30 20 DBED C[C@@H](CNC(=O)[C@@H](C)C#N)NC(=O)Cc1nnn(C(C)(C)C)n1 1386456406 KHDASKKRUDOOQV-UWVGGRQHSA-N 321.385 -0.249 30 20 DBED C[C@H](CCNC(=O)CN1CCCNC1=O)NC(=O)[C@H](C)C#N 1387519167 JLAFIVKIMQULMS-GHMZBOCLSA-N 309.370 -0.428 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CCN(C(=O)CCCn2cncn2)C1 1396763103 DDJCGJMOGQSIHM-VXGBXAGGSA-N 304.354 -0.065 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CCN(C(=O)c2cnc3[nH]nnc3c2)C1 1396940873 DMLYPLLPCUJZTD-WPRPVWTQSA-N 313.321 -0.157 30 20 DBED C[C@@H](CNC(=O)c1ccc(C(N)=O)nc1)CNC(=O)[C@H](C)C#N 1399407374 RIBGVWBCLXWAGZ-NXEZZACHSA-N 317.349 -0.178 30 20 DBED C[C@@H](C#N)C(=O)N(CCNC(=O)CCn1cnnn1)C1CC1 1408938453 RIKWMFYVKBAMPU-JTQLQIEISA-N 305.342 -0.670 30 20 DBED CC(C)S(=O)(=O)CC(=O)N1CCN(C(=O)[C@@H](C)C#N)CC1 1414509829 YDHWTHLZBCIIJD-NSHDSACASA-N 315.395 -0.360 30 20 DBED C[C@H](C#N)C(=O)N1CCN(CCN(C)C(=O)[C@H]2CCOC2)CC1 1415921798 HZTYAFFCTOIXSO-KGLIPLIRSA-N 322.409 -0.215 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@@H](C)CNC(=O)c1ccc2nnnn2c1 1424202816 CIJHFWJQYCHHJT-UWVGGRQHSA-N 315.337 -0.139 30 20 DBED C[C@H](O)C1CN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 1434312179 WHNQKEIQWXDRES-JTQLQIEISA-N 323.374 -0.324 30 20 DBED CC[C@H]1CN(CC)CCN1C(=O)Cn1cc(C#N)c(O)nc1=O 1449470758 KBSXRIKTLCPIBX-LBPRGKRZSA-N 319.365 -0.237 30 20 DBED CCC[C@@H](OC)C(=O)NC[C@H](O)CNC(=O)c1cc(C#N)c[nH]1 1452340222 ZIAQZCOKDLHMAO-DGCLKSJQSA-N 322.365 -0.092 30 20 DBED CC[C@H](C)NC(=O)[C@@H](C)NC(=O)Cn1cc(C#N)c(O)nc1=O 1464643422 NPXWYNCYXPZWDM-DTWKUNHWSA-N 321.337 -0.760 30 20 DBED CN1CCC[C@@H](N(C)C(=O)CCn2cc(C#N)c(O)nc2=O)C1 1465547674 ZZCNFJRKEFHQAR-GFCCVEGCSA-N 319.365 -0.237 30 20 DBED C#CCN1CCC(NC(=O)CCNC(=O)[C@H]2CCCN2)CC1 1574673166 IJMTVYPLCFXPOC-CQSZACIVSA-N 306.410 -0.542 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@H]2C[C@@H](N)C2(C)C)CC1 1574707387 RDUFPCOFHGQUDT-CHWSQXEVSA-N 306.410 -0.747 30 20 DBED C=C(Br)CNC(=O)[C@@]12CNC[C@@H]1CS(=O)(=O)C2 1574816454 FLAIVNHKHZIBJO-PSASIEDQSA-N 323.212 -0.355 30 20 DBED CCOC(=O)[C@@H](CO)NC(=O)[C@@H]1NCCc2cc(C#N)ccc21 1577914110 NFXNJRVGZQGCEB-ZIAGYGMSSA-N 317.345 -0.215 30 20 DBED N#Cc1cn(CC(=O)N[C@@H]2CC[C@H]3CNC[C@H]3C2)c(=O)nc1O 1580081034 PRLOHGNJNPBXEL-HOSYDEDBSA-N 317.349 -0.675 30 20 DBED Cn1cnnc1[C@@H]1CCN(c2cnc(-c3nn[nH]n3)c(C#N)n2)C1 1581818571 BBIGBJFNVNFLRG-MRVPVSSYSA-N 323.324 -0.349 30 20 DBED N#Cc1ncc(NC[C@@H](CO)[C@H]2CCOC2)nc1-c1nn[nH]n1 1581883368 XPDSRDJYXOFDEX-IUCAKERBSA-N 316.325 -0.415 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCC[C@H](CC(=O)O)C1)[C@H]1CCCO1 1588388782 ZYEAWJOJOQRKSB-FRRDWIJNSA-N 322.361 -0.003 30 20 DBED C=CCC(C)(C)C(=O)NCC1(O)CN(C(=O)[C@H]2C[C@H]2C(=O)O)C1 1588731744 NTEIMAVSHDLWQY-WDEREUQCSA-N 324.377 -0.001 30 20 DBED C=CCCOCC(=O)N1CCN(C(=O)[C@H]2C[C@H]2C(=O)O)CC1 1588810441 QMCIZVLPQJJBMU-NWDGAFQWSA-N 310.350 -0.029 30 20 DBED C=CCOC[C@@H](NC(=O)N1CCS(=O)(=O)CC1)C(=O)O 1588857452 ZFVTVKUENIDVDN-SECBINFHSA-N 306.340 -0.918 30 20 DBED N#Cc1ccc(CC(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)O)cc1 1594618483 QSHBMPRIIJCCRK-GFCCVEGCSA-N 322.342 -0.189 30 20 DBED CS(=O)(=O)N1CCC[C@H](C(=O)N(CC#N)CC(=O)O)C1 1599755257 HFIKOBUKJDMJGE-VIFPVBQESA-N 303.340 -0.905 30 20 DBED C#CC[C@H](NS(=O)(=O)CC1(C(=O)O)CCC1)C(=O)OC 1602698309 BKSBRQHHAZNKKC-VIFPVBQESA-N 303.336 -0.274 30 20 DBED CC(C)[C@H](C#N)N1CCN([C@@H]2CCN(CC(=O)O)C2=O)CC1 1602961201 QZXFJGALRZXGAR-OLZOCXBDSA-N 308.382 -0.162 30 20 DBED C#CCN[C@@H](C)CCNC(=O)c1ccc(=O)n(CCOC)n1 1714477134 DGABNRIBIQCVND-LBPRGKRZSA-N 306.366 -0.379 30 20 DBED N#CCN1CCN(CCCNC(=O)Cn2ccccc2=O)CC1 1752356859 IEUQXGUMVPOLFC-UHFFFAOYSA-N 317.393 -0.504 30 20 DBED CCN(CCNC(=O)c1cc(C)nn1C)CC(=O)NCC#N 1753079081 ZKXUCFULWZECJL-UHFFFAOYSA-N 306.370 -0.580 30 20 DBED CC#CCN(C)C[C@@H]1CCN(C(=O)C[C@H]2CC(=O)NC2=O)C1 1753361320 COTFZBXXUHUDPC-QWHCGFSZSA-N 305.378 -0.157 30 20 DBED C#CCO[C@H](C)C(=O)N(C)[C@H]1CCN(Cc2cnnn2C)C1 1753438449 ZKNHHVCTPURPQJ-OLZOCXBDSA-N 305.382 -0.114 30 20 DBED C=CCNC(=O)CNC[C@H](NC(=O)c1cncn1C)C1CC1 1754456356 KDIKVKGXKBWAEC-LBPRGKRZSA-N 305.382 -0.180 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C1CN(C[C@H]2CCc3ncnn32)C1 1754575169 NLNUTMKRDLIGJY-QWHCGFSZSA-N 317.393 -0.054 30 20 DBED CCC(=O)N[C@H](C)C(=O)NCCN1CCC(NCC#N)CC1 1754848376 CUGHKHDODVLPQH-GFCCVEGCSA-N 309.414 -0.405 30 20 DBED C=CCNC(=O)CN1CC2(C1)CN(C(=O)[C@@H]1CCCO1)CCO2 1755049187 RIZLKKGFNLKLSG-ZDUSSCGKSA-N 323.393 -0.619 30 20 DBED C#CCCCC(=O)N1CCOC2(C1)CN([C@@H](C)C(=O)NC)C2 1755049859 UILNKDKGYFUFGH-ZDUSSCGKSA-N 307.394 -0.162 30 20 DBED C=C(Br)CN[C@@H](CO)CNC(=O)C(C)(C)C(N)=O 1755632023 OZZMAZKCUGDGAP-MRVPVSSYSA-N 322.203 -0.527 30 20 DBED C[C@@H]1C[C@@H](NCC(=O)NCC#N)CN1C(=O)c1ccncc1 1755668269 BYNNBZPSGDULKX-DGCLKSJQSA-N 301.350 -0.086 30 20 DBED CC#CCCCC(=O)NC[C@H](CO)NC(=O)C(=O)NCC1CC1 1756542292 FCBQMOXRKZFQMA-CYBMUJFWSA-N 323.393 -0.701 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CC[C@@H](CNC(=O)Cn2cnnn2)C1 1756640052 NTNBJDONKHKERB-CHWSQXEVSA-N 316.365 -0.512 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C[C@H](O)CNC(=O)c1cnn(C)c1 1756662421 GCLMIIMTJASTDL-DGCLKSJQSA-N 322.365 -0.993 30 20 DBED C=CCOCC(=O)NC[C@H](O)CN(C)C(=O)c1nc(C)c[nH]1 1756664485 ILOPFCDAOSHDHC-NSHDSACASA-N 310.354 -0.530 30 20 DBED C=C(C)C[C@@H](C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2nc[nH]n2)C1 1757023622 BUNKLSPSUAPKGI-GMTAPVOTSA-N 307.354 -0.292 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@H](NC(=O)c2nccn2CC)C1 1757168590 CXOWYYHQBGFRFI-NEPJUHHUSA-N 322.365 -0.593 30 20 DBED C=C(C)CCC(=O)N1C[C@H](O)[C@H](NC(=O)c2cn(C)c(O)n2)C1 1757207840 MMNBMARUANZNJK-PWSUYJOCSA-N 322.365 -0.217 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H]1CN(C)C(=O)COCCC 1757276704 ALKFXAXAYMCDFH-CYBMUJFWSA-N 323.393 -0.388 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](N)[C@@H](C)CC 1795556127 GJDRGMGASIOQHZ-OBORUHMCSA-N 307.394 -0.417 30 20 DBED C[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CCC1)C2 1800754400 KHKNIMVITHDEFH-RVMXOQNASA-N 321.377 -0.349 30 20 DBED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cocn1)CCO2 1834512191 NPGFYZXLKYQCEI-OAHLLOKOSA-N 319.317 -0.622 30 20 DBED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC12CN(C(=O)C(O)O)C2 1844234786 QZTJWGNMXDDUTL-SNVBAGLBSA-N 312.366 -0.926 30 20 DBED C#CCNCC(=O)N1CCCC[C@H]1CCNS(C)(=O)=O 92492961 UZIWENDDSHRXNL-LBPRGKRZSA-N 301.412 -0.470 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1CCN(C[C@@H](C)O)[C@H](C)C1 105823741 VQZOMGCWWMLRGW-UPJWGTAASA-N 312.414 -0.226 30 20 DBED C[C@@H](C(=O)N(C)CCC#N)N1CCN(c2cnn(C)c2)C(=O)C1 177450968 YYQCAOHYEOFVKG-LBPRGKRZSA-N 318.381 -0.171 30 20 DBED C=CCC[C@H](NC(=O)CCN1CCCS1(=O)=O)C(=O)O 262781634 BBRSNEBQGZDNCO-JTQLQIEISA-N 304.368 -0.052 30 20 DBED C[C@H](CC#N)NS(=O)(=O)c1cnc2c(c1)c(=O)nc(O)n2C 264057651 JUVWSPXGICLXJH-SSDOTTSWSA-N 323.334 -0.385 30 20 DBED CO[C@H](CN)CC(=O)N1CCN(c2cc(C#N)ccn2)CC1 278177761 LFNAULBSDKMFOM-ZDUSSCGKSA-N 303.366 -0.034 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)NCc1ccc(C(N)=O)o1 283049284 SATHOMMGUSACGH-MRVPVSSYSA-N 300.340 -0.053 30 20 DBED C=CCNC(=O)CN1C(=O)N[C@](C)(CCC(=O)OCC)C1=O 286369818 CQAPHUQEOUQHOG-CQSZACIVSA-N 311.338 -0.058 30 20 DBED C[C@@H]1CN(S(=O)(=O)Cc2ccc(C#N)cc2)C[C@H](C(N)=O)O1 288259390 HIDJSKMHTYHCKQ-ZWNOBZJWSA-N 323.374 -0.037 30 20 DBED C#CCO[C@H](C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)OC 297635206 XIJMZMCARTZFIU-NEPJUHHUSA-N 312.366 -0.155 30 20 DBED CCCS(=O)(=O)N1CCC[C@H]1/C(O)=N/CCn1ncnn1 328752996 NNQLZRRCBIHLMB-JTQLQIEISA-N 316.387 -0.166 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N(C)CCN1CCOCC1 330405836 WJUPNIOBXJKJKT-CYBMUJFWSA-N 318.443 -0.023 30 20 DBED CS(=O)(=O)c1ccc(N/C(O)=N/C[C@@]2(O)CCOC2)cn1 330459858 UKGKVRODFFTAIQ-LBPRGKRZSA-N 315.351 -0.038 30 20 DBED CCS(=O)(=O)NCCC/N=C(/O)N[C@H]1CC(=O)N(C)C1 331145719 SGUYFCKIYNJUNL-VIFPVBQESA-N 306.388 -0.950 30 20 DBED CN(CCN1CCCC1)S(=O)(=O)N1CCO[C@@H](C#N)C1 337058688 DZSJBHKLFUVUPW-LBPRGKRZSA-N 302.400 -0.517 30 20 DBED COC(=O)CN(CC#N)C(=O)CNC(=O)c1ncccc1O 339980142 JRDXSDKSYGJSKX-UHFFFAOYSA-N 306.278 -0.958 30 20 DBED N#CCN(C1CCCC1)S(=O)(=O)CCCS(N)(=O)=O 349464046 ZIXUQSNIOPDNDM-UHFFFAOYSA-N 309.413 -0.237 30 20 DBED C[C@H]1CN(S(=O)(=O)NCCn2cnc(C#N)n2)[C@H](C)CO1 352650748 ZEOPDZNTFJUMAM-ZJUUUORDSA-N 314.371 -0.907 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(C)CC2(O)CCC2)C1=O 354267600 IXKBYXZAPQHYKQ-UHFFFAOYSA-N 309.322 -0.663 30 20 DBED C=CCNC(=O)NC(=O)Cn1c(-c2ncccn2)noc1=O 355381791 LFCBXXPWNKALJF-UHFFFAOYSA-N 304.266 -0.695 30 20 DBED COCCN(CC(=O)NCc1cccc(C#N)c1)[C@H](C)C(N)=O 358354440 LKIQPHYCVYPHFK-GFCCVEGCSA-N 318.377 -0.003 30 20 DBED C=CCOC[C@H](NC(=O)c1cn([C@@H]2CCOC2)nn1)C(=O)OC 360756023 SURQUMZNUUDVDC-PWSUYJOCSA-N 324.337 -0.287 30 20 DBED N#C[C@H]1CN(CC(=O)c2c(O)nc(=O)n(C3CC3)c2N)CCO1 436121938 BLYYAVHVKVYEPH-VIFPVBQESA-N 319.321 -0.727 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccnn2C)C1=O 440249583 ZWVQXCBNRXOXFZ-SNVBAGLBSA-N 305.338 -0.396 30 20 DBED C#CCN1CCN(C(=O)CN2CCC[C@@H](C(=O)NC)C2)CC1 490853575 TUKYBNPVQZODTJ-CQSZACIVSA-N 306.410 -0.778 30 20 DBED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CNC(=O)C2)cc1 490933644 FPJRPTWIJNRTLQ-LLVKDONJSA-N 321.358 -0.784 30 20 DBED C[C@@H]1CN(C(=O)NCC(=O)NCC#N)CCN([C@H]2C[C@H]2C)C1 490969994 IQDDKCMVAVPKTF-XQQFMLRXSA-N 307.398 -0.002 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)CCc2nccs2)CC1 491125854 HYVNNXGCDNVVNO-UHFFFAOYSA-N 320.418 -0.031 30 20 DBED C#CCN1CCN(C(=O)CN(C)C2CCN(OC)CC2)CC1 491708100 ZHGJKNAQHLEOSS-UHFFFAOYSA-N 308.426 -0.279 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@@H](CC1CC1)C(=O)O 563224782 DQYWHRRNJQMFMP-NSHDSACASA-N 319.383 -0.064 30 20 DBED C=C(C)[C@H]1OCC[C@H]1CNC(=O)CN(C)S(=O)(=O)N(C)C 566349167 NFICNMNHRMZKNI-WCQYABFASA-N 319.427 -0.178 30 20 DBED N#Cc1cc(F)ccc1CS(=O)(=O)N[C@@H](CO)C(=O)O 568002118 RLAMLHORLOFZHX-JTQLQIEISA-N 302.283 -0.438 30 20 DBED CN1CCN(C(=O)C(=O)NCc2cccc(C#N)c2)[C@H](CN)C1 576966385 POCSXXMVCXJCKK-CQSZACIVSA-N 315.377 -0.724 30 20 DBED CNC(=O)[C@@H](CO)NS(=O)(=O)Cc1ccc(F)cc1C#N 579006796 RLWHCKFMMZZWEX-LLVKDONJSA-N 315.326 -0.776 30 20 DBED N#Cc1nc(NCCOCCS(N)(=O)=O)sc1Cl 596232673 ROAARUJUPOEKRP-UHFFFAOYSA-N 310.788 0.385 30 20 DBED N#CCCN1CCN(C(=O)C(=O)N[C@H]2CC[C@H](O)CC2)CC1 602290205 UGVRMKGSVNUZIZ-JOCQHMNTSA-N 308.382 -0.536 30 20 DBED C=C[C@H](O)C(=O)NC[C@H](O)COc1ccc2c(c1)CCC(=O)N2 612419281 OGDUYJKQCOUIMA-FZMZJTMJSA-N 320.345 -0.026 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N2CCC[C@H](CCO)C2)CCO1 619710452 QJYBYABPQBANJB-VXGBXAGGSA-N 303.384 -0.450 30 20 DBED C=CCN1CCC(NC(=O)C(=O)N2[C@H]3CC[C@H]2CNC3)CC1 663649933 JNXXIRIWVBIXAB-KBPBESRZSA-N 306.410 -0.284 30 20 DBED C#CCOc1ccc(NC(=O)C(=O)NCCS(C)(=O)=O)cc1 737238895 YFHOEUZOSINXJA-UHFFFAOYSA-N 324.358 -0.202 30 20 DBED N#CCN(CC(=O)O)S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 739085299 DWZAWJNJJBDZTI-UHFFFAOYSA-N 323.330 -0.429 30 20 DBED C#CCOCCC(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 755908157 FJHRTWXITDFXQC-UHFFFAOYSA-N 320.349 -0.280 30 20 DBED C#CCNC(=O)COC(=O)c1cc(S(N)(=O)=O)c(C)o1 756436756 FSAJIIDYPUAEFW-UHFFFAOYSA-N 300.292 -0.858 30 20 DBED CNS(=O)(=O)c1ccc(C(=O)Nc2cnn(CC#N)c2)cn1 771294964 ITVPECIPKPFBMV-UHFFFAOYSA-N 320.334 -0.038 30 20 DBED C#C[C@@H](NC(=O)NCCC(=O)N1CCOCC1)[C@H]1CCCO1 773214615 WMTGCQMAGBRDFZ-CHWSQXEVSA-N 309.366 -0.285 30 20 DBED C#C[C@@H](C)NC(=O)NC1CCN(CCS(C)(=O)=O)CC1 773598934 QIYMABLEHPCRPI-LLVKDONJSA-N 301.412 -0.184 30 20 DBED C=CCS(=O)(=O)CCNC(=O)[C@@]12CCC(=O)N1CCS2 783618123 NEYODINQGBPIFX-LBPRGKRZSA-N 318.420 -0.231 30 20 DBED C#CCC[C@H](O)CNC(=O)[C@](C)(O)Cn1ccc(C)cc1=O 799074521 KRUROFSYIXANMH-XJKSGUPXSA-N 306.362 -0.202 30 20 DBED C[C@@H](NS(=O)(=O)N1CCO[C@H](C#N)C1)C(=O)OC(C)(C)C 800080840 PJNQEPDWESULBA-NXEZZACHSA-N 319.383 -0.225 30 20 DBED CC[C@](C)(C#N)C(=O)OCc1nc2c(=O)n(C)c(=O)n(C)c2[nH]1 803784280 NSPGXAUWYDHURO-CQSZACIVSA-N 319.321 -0.057 30 20 DBED CCCc1nnc(SCC(=O)N2CCO[C@H](C#N)C2)n1N 813443341 MBSFYSNUCZEARK-SECBINFHSA-N 310.383 -0.213 30 20 DBED COc1ccc(NC(=S)NN=C2C(=O)NC(=O)NC2=O)cn1 814221630 HIGMRPYGXOHEEF-UHFFFAOYSA-N 322.306 -0.901 30 20 DBED C=C[C@](C)(O)C(=O)N1CCN(C[C@H]2CCCS2(=O)=O)CC1 820437869 CITILGUEOBFQIF-OCCSQVGLSA-N 316.423 -0.355 30 20 DBED CCC[C@H](C(=O)N1CCN(C2CC2)[C@@H](C#N)C1)S(N)(=O)=O 827383447 GCOAFTTYHYXKFA-NWDGAFQWSA-N 314.411 -0.358 30 20 DBED C=CCN(CC=C)C(=O)[C@H](C)OC(=O)C1(S(N)(=O)=O)CC1 845207264 XXSYIZKJSZNXQM-JTQLQIEISA-N 316.379 -0.060 30 20 DBED C#C[C@H](NC(=O)CN(C)S(=O)(=O)N(C)C)[C@@H]1CCCO1 845957877 YNTLYTPAXSQMDC-QWRGUYRKSA-N 303.384 -0.978 30 20 DBED C/N=C(/NCCNS(=O)(=O)NC(C)C)NCc1ccco1 849022653 PNFHXTSDLMNMMS-UHFFFAOYSA-N 317.415 -0.223 30 20 DBED C#CCNC(=O)COC(=O)[C@H]1CNC(=O)C[C@H]1C(F)(F)F 873456419 OCUZBCFIJDOBLA-JGVFFNPUSA-N 306.240 -0.406 30 20 DBED C#CCN1CCC[C@H](NS(=O)(=O)N2CCO[C@H](C#N)C2)C1 885507996 AVICWAVLOWWTNQ-QWHCGFSZSA-N 312.395 -0.857 30 20 DBED C#CCN1CCC[C@H](NS(=O)(=O)C[C@H](COC)OC)C1 885509221 PZIRLIOTEKDOJM-STQMWFEESA-N 304.412 -0.335 30 20 DBED C#CCO[C@H](C)C(=O)N1CCN(C(=O)N2CCN(C)CC2)CC1 896230272 OEVDUYBVZTVRKV-CQSZACIVSA-N 322.409 -0.464 30 20 DBED NC(=O)[C@@H]1CN(C(=O)NCC#CCO)C[C@H]1c1ccccc1 923764029 SIEGCWCAQQICAS-UONOGXRCSA-N 301.346 -0.107 30 20 DBED COCCn1cc(C(=O)N[C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)nn1 940421146 ZSCXYTIFYYOABN-WDEREUQCSA-N 320.353 -0.585 30 20 DBED C[C@H](C#N)C(=O)N1CCC2(CC1)CN(C(=O)[C@H]1COC(=O)N1)C2 945030978 PDVZKGRHNYOREF-GHMZBOCLSA-N 320.349 -0.295 30 20 DBED C=CCN1CC[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C[C@@H]1C 947761821 QUUCCIWCPYSVIS-RYUDHWBXSA-N 320.393 -0.147 30 20 DBED Cn1ncc(C(=O)N2CC[C@@H]2CNC(=O)c2cc(C#N)c[nH]2)n1 949283973 VJMHAFMQVKDESI-SNVBAGLBSA-N 313.321 -0.341 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CNC(=O)[C@H]2COCCO2)CC1 949387307 KCPXAWBDNVGGJG-DGCLKSJQSA-N 309.366 -0.084 30 20 DBED N#Cc1ccccc1CN1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 949953119 BJNTVOUXOBFIID-AWEZNQCLSA-N 313.361 -0.116 30 20 DBED CN1C[C@@H](C(=O)N[C@H]2CCCN(C(=O)C#CC3CC3)C2)CC1=O 950758078 DQDUWUNIQJPSMA-KBPBESRZSA-N 317.389 -0.015 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)CC(N)=O 955934776 KLVMLQWIPJOSMH-XQQFMLRXSA-N 323.393 -0.050 30 20 DBED C#CCCN1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)CC1 957315092 XETYSOBUFMWUAR-UHFFFAOYSA-N 300.322 -0.801 30 20 DBED N#CCN1C[C@H](CNC(=O)c2occ3c2CCOC3)[C@@H](O)C1 958291816 TUUYTYLTASKETB-GWCFXTLKSA-N 305.334 -0.102 30 20 DBED Cc1nc(CC(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2C)n[nH]1 958369142 ZCGNOEWEXMBCKP-IQJOONFLSA-N 304.354 -0.222 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2nc3nccc(C)n3n2)C1 958646016 ZKSZEMJBYCPBCW-VXGBXAGGSA-N 314.349 -0.912 30 20 DBED C=C(C)CN1C[C@H](CNC(=O)c2c[nH]c(C(N)=O)c2)[C@@H](O)C1 958673683 VEVLSPWIBZIDCR-AAEUAGOBSA-N 306.366 -0.288 30 20 DBED C=C(C)CCN1C[C@H]2C(NC(=O)Cn3cnc(C(N)=O)n3)[C@@H]2C1 959965180 ITNKNLGPZVSKCV-GHMZBOCLSA-N 318.381 -0.610 30 20 DBED C#CCCN1C[C@H]2C(NC(=O)c3cc(C(N)=O)cn3C)[C@@H]2C1 960826659 MMCSUKSRPYEJRE-VXGBXAGGSA-N 300.362 -0.193 30 20 DBED CO[C@@H](C)C(=O)N1C[C@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 962139329 RKMZXRXRRKARQO-AXTRIDKLSA-N 306.322 -0.777 30 20 DBED C=C(C)CN1C[C@H]2C(NC(=O)Cn3nc(C)n(C)c3=O)[C@@H]2C1 962430027 KVBWHWXKTJYRGO-VXGBXAGGSA-N 305.382 -0.487 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CN(C(=O)C(C)C)C[C@@H]2O)nn1 963302858 OMKVWOLASJZZEG-PWSUYJOCSA-N 307.354 -0.578 30 20 DBED C[C@H](C#N)C(=O)N1CCOC2(CN(C(=O)Cc3ccon3)C2)C1 965471758 KKQLJYBACCQZDP-LLVKDONJSA-N 318.333 -0.183 30 20 DBED C[C@H](C#N)C(=O)N1CC2(C[C@H](NC(=O)c3cnon3)CO2)C1 965794076 XLXQDFVBLTYCCC-BDAKNGLRSA-N 305.294 -0.671 30 20 DBED CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@@]2(CN(CC#N)CCO2)C1 972551851 HZNIVNPCHXIWAM-DVOMOZLQSA-N 320.393 -0.462 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2cnon2)C1 974266048 WXWRSMQSDGGPIL-LOWVWBTDSA-N 317.349 -0.456 30 20 DBED C#CCN1C[C@H]2[C@H](CNC(=O)c3ccn(CCN(C)C)n3)[C@H]2C1 978187033 XYRPKDPWEWYORC-QKDCVEJESA-N 315.421 -0.015 30 20 DBED N#CCN1C[C@@H]2C(CNC(=O)c3ccc(S(N)(=O)=O)o3)[C@H]2C1 978432783 WNFODZFKQCXFGQ-NXEZZACHSA-N 324.362 -0.642 30 20 DBED C=CCN1C[C@@H]2C(CNC(=O)[C@H]3CN(C(C)=O)CCO3)[C@H]2C1 979017606 UMXAENRHHJRJFD-RBSFLKMASA-N 307.394 -0.286 30 20 DBED C#CCN1C[C@@]2(C)CN(C(=O)Cn3cnnc3O)C[C@@]2(C)C1 982262801 KIFHPRSQQMPVDT-GASCZTMLSA-N 303.366 -0.213 30 20 DBED CC[C@@H]1[C@@H](NC(=O)Cn2ncnn2)CCN1C(=O)C#CC1CC1 984912089 RYRULGWABLFTEJ-QWHCGFSZSA-N 316.365 -0.418 30 20 DBED C[C@H]1C[C@@H](NCc2nnnn2C)CN1C(=O)c1ccc(C#N)[nH]1 988657766 VNSQDNMCHJIXBP-GXSJLCMTSA-N 314.353 -0.197 30 20 DBED C=C[C@](C)(CC)C(=O)N1CC(NC(=O)Cn2cnnc2O)C1 990940825 DIIFKMQVVGCNIV-CQSZACIVSA-N 307.354 -0.087 30 20 DBED Cc1csc(=O)n1CC(=O)NC1CN(C(=O)[C@H](C)C#N)C1 991384172 IFLBVTJKEQIEJF-MRVPVSSYSA-N 308.363 -0.295 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)c2ccnc3c2CC(=O)N3)C1 996352985 XOVLGDBORKFDQP-QMMMGPOBSA-N 313.317 -0.324 30 20 DBED C[C@@H](C#N)C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1c[nH]c(=O)cn1 999803884 RQRPDUKEOBWGOA-WYFGTUCQSA-N 315.333 -0.209 30 20 DBED C=CCN1CC[C@@H](n2cc(CNC(=O)c3cnn[nH]3)nn2)C1 1000004458 UIFNOTTYANHOOD-LLVKDONJSA-N 302.342 -0.241 30 20 DBED C=C(Cl)CN[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 1000327169 FFVCIVKDRNYXAN-ZJUUUORDSA-N 314.773 -0.082 30 20 DBED C#CCN1CCC(NC(=O)C2CC3(C2)NC(=O)NC3=O)CC1 1003781079 ZWSFCBAZRUVLRH-UHFFFAOYSA-N 304.350 -0.812 30 20 DBED Cc1nonc1C(=O)NC[C@H]1[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]12 1009203317 FEHHDWLWQFGDHS-DMLMCSCLSA-N 303.322 -0.028 30 20 DBED O=C1NCC[C@H]1C(=O)NC[C@H]1[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]12 1009328484 CFMFQDHNHDACIN-SYQHCUMBSA-N 315.373 -0.644 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC3(CCN(C(=O)C(N)=O)C3)C2)c1 1018913509 DGUHNYKNXWHRCN-UHFFFAOYSA-N 301.306 -0.954 30 20 DBED C=CCCn1cc(C(=O)N[C@H]2C[C@H](N[C@H](CC)C(N)=O)C2)nn1 1020714586 VDCNSLVUBVDHQP-IJLUTSLNSA-N 320.397 -0.032 30 20 DBED Cc1cn2nc(C(=O)N[C@H]3C[C@@H](NCC#N)C3)cc2c(=O)[nH]1 1022495002 VFOABRQFZVHECL-AOOOYVTPSA-N 300.322 -0.295 30 20 DBED COc1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2O)on1 1023470935 YEBAZAXKXJKXJG-DJLDLDEBSA-N 308.294 -0.856 30 20 DBED N#Cc1ccc(C(=O)N2C[C@H]3[C@@H](NCC(N)=O)CC[C@H]3C2)[nH]1 1026243043 VLKNUIDTIQPECI-WCQGTBRESA-N 301.350 -0.188 30 20 DBED COc1ccc(C#N)cc1CNC[C@@H]1CCN(C(=O)C(N)=O)C1 1027032250 FOXDOQQMAXXFDT-LBPRGKRZSA-N 316.361 -0.010 30 20 DBED CN(CC#N)[C@H]1CCCN(C(=O)c2nccnc2C(N)=O)C1 1027673726 CGCLLKTYHRWVKD-JTQLQIEISA-N 302.338 -0.365 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@@H]2CCCN2[C@H]2CCNC2=O)c1 1027811814 AGOQVECELUQMCX-AAEUAGOBSA-N 301.350 -0.031 30 20 DBED C=CCCn1cc(C(=O)NC[C@H]2CCN(CC(N)=O)C2)nn1 1028858660 VSNKYXHQNPZWCQ-LLVKDONJSA-N 306.370 -0.609 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)Cc3cc[nH]n3)C2)C1=O 1030175994 GYWAGMQCACXVKN-CYBMUJFWSA-N 303.366 -0.461 30 20 DBED C=CCN1CC[C@@H](N2CC(CNC(=O)c3cncn3C)C2)C1=O 1031819152 MIOJZIDEXPLVHD-CYBMUJFWSA-N 317.393 -0.131 30 20 DBED N#CCN1CC(CNC(=O)c2cn(C3CCOCC3)nn2)C1 1032110333 IDDYMFYMXBFYLB-UHFFFAOYSA-N 304.354 -0.185 30 20 DBED COc1ccc(CN2C[C@@H]3C[C@H]2CN3C(=O)C(N)=O)cc1C#N 1032596409 AHNMXHRPPLIHRJ-STQMWFEESA-N 314.345 -0.163 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)CC[C@H]1NCc1nnn(C)n1 1036024403 XFJRISJGDCDYCR-DGCLKSJQSA-N 302.382 -0.050 30 20 DBED CC(C)C#CC(=O)NC[C@@]1(O)CCN(C(=O)Cn2nccn2)C1 1039665526 NHNGFHYJTSPIAL-HNNXBMFYSA-N 319.365 -0.983 30 20 DBED C[C@@H]1CCO[C@@H]1C(=O)N1CC[C@@](O)(CNC(=O)C#CC2CC2)C1 1039684609 BDRPGKKTLSVGKJ-ISTRZQFTSA-N 320.389 -0.096 30 20 DBED C#CCOCCC(=O)NC[C@]1(O)CCN(C(=O)C(C)(C)F)C1 1039718459 ALXIVRMAJOQXLZ-OAHLLOKOSA-N 314.357 -0.146 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)Cc2cscn2)C1 1039749587 QSCBGVWRQYLWFJ-YGRLFVJLSA-N 322.390 -0.075 30 20 DBED CCn1cc(C(=O)N2CC[C@@](O)(CNC(=O)[C@H](C)C#N)C2)nn1 1040759217 GDOCHAWDIGOHDL-QMTHXVAHSA-N 320.353 -0.849 30 20 DBED Cn1cncc1C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1O 1041227909 HHPBIQKALBEXIN-ZYHUDNBSSA-N 313.321 -0.939 30 20 DBED C=CCCC1(C(=O)N2CC(O)(CNC(=O)CC(N)=O)C2)CC1 1042219998 ICYLYEODKRAWJM-UHFFFAOYSA-N 309.366 -0.702 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCNC(=O)C2)C1 1042518663 LCUCCLCBGBLDDL-LLVKDONJSA-N 309.366 -0.832 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)[C@H]2CCNC(=O)C2)C1 1042525982 LSDAPPCEBSMWRO-NSHDSACASA-N 323.393 -0.586 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)c2n[nH]cc2C)C1 1042951090 KCYLFCDZWFTSMU-LLVKDONJSA-N 320.349 -0.940 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)COCC2CC2)C1 1043032906 MLOZVGJUJINPGF-UHFFFAOYSA-N 324.377 -0.858 30 20 DBED CN1CCC[C@@H]1C(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@@H]1O 1043874824 JVKMZLLQIKFUBT-KFWWJZLASA-N 315.377 -0.287 30 20 DBED C=CCCN1CC(N(C)C(=O)c2cc(=O)n3[nH]cnc3n2)C1 1044180782 LCHGKVONUSJIQL-UHFFFAOYSA-N 302.338 -0.250 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)[C@H]2CCO[C@@H]2C)C1 1045293986 UGKUYGZJFBJINZ-OLZOCXBDSA-N 308.378 -0.240 30 20 DBED Cc1cc(C(=O)N2CC(O)(CNC(=O)[C@@H](C)C#N)C2)ccn1 1045546311 KNCWJKBHZKERKM-JTQLQIEISA-N 302.334 -0.147 30 20 DBED C#CCN1C[C@H]2C[C@H](NC(=O)c3cnc(O)n(C)c3=O)C[C@H]1C2 1047126061 SQSPAQOYYBSTAD-SDDRHHMPSA-N 316.361 -0.298 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(NC(N)=O)cc2)C1 1047618863 SCDFZTNBBUBSID-KBPBESRZSA-N 316.361 -0.073 30 20 DBED C=CCOCC(=O)N(C)[C@H]1CN(C(=O)c2cccnn2)C[C@@H]1O 1048558596 SHHMJPQMOQHUTH-STQMWFEESA-N 320.349 -0.677 30 20 DBED C=C[C@@](C)(O)CC(=O)N(C)[C@H]1CN(C(=O)c2cocn2)C[C@@H]1O 1048761720 GZLPSAUFHXIDCK-SLEUVZQESA-N 323.349 -0.355 30 20 DBED CN(C)CCCC(=O)N(C)[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 1049349572 VKCGQBIIDBCAGJ-GJZGRUSLSA-N 321.421 -0.228 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)c2cc[n+]([O-])cc2)C[C@@H]1O 1049388706 PAILCZSSRCQOES-DRZSPHRISA-N 318.333 -0.877 30 20 DBED CC(=O)N1CCOC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CCN2CC#N 1049908935 OBZKOZSFBVLRSU-SOUVJXGZSA-N 320.393 -0.177 30 20 DBED C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H]1CC(=O)NC1=O 1049933820 NDPMVNARFPJKAX-JHJVBQTASA-N 303.362 -0.262 30 20 DBED C=CCCOCC(=O)N[C@@H](C)[C@H]1CCN(C(=O)CC(N)=O)C1 1050350304 PJGYBGGBBAAUCR-RYUDHWBXSA-N 311.382 -0.192 30 20 DBED N#Cc1cccc(CN2CC3(C[C@H](NC(=O)C(N)=O)CO3)C2)c1 1053912096 USXSITOOHSFPEM-ZDUSSCGKSA-N 314.345 -0.497 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)[C@H]3CCCCN3C(N)=O)CO2)C1 1053980480 OYIFJFSNCFPZJI-NWDGAFQWSA-N 321.381 -0.597 30 20 DBED CCc1nc(C#N)cc(N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)C(N)=O)n1 1055181695 YFZIGDXQWAFADN-VWYCJHECSA-N 314.349 -0.378 30 20 DBED N#Cc1cnc(N2CCN(C(=O)c3ccc(O)nn3)CC2)cn1 1055714508 DEDIFZXXPLAWKA-UHFFFAOYSA-N 311.305 -0.194 30 20 DBED CCC(=O)NCC(=O)N[C@]1(CO)CCCN(C(=O)[C@H](C)C#N)C1 1055836803 GEIDHEQCIQRREN-IAQYHMDHSA-N 324.381 -0.858 30 20 DBED C[C@@H](C(=O)N1CC[C@@H](N=c2cc[nH]cc2C#N)C1)S(C)(=O)=O 1056816708 MKFSUGGQKONTKB-CMPLNLGQSA-N 322.390 -0.179 30 20 DBED C=C[C@](C)(O)CC(=O)NCCN(CCO)C(=O)[C@H](C)OCC 1057057932 IDABRVSSZNECLW-WFASDCNBSA-N 316.398 -0.324 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)c1cnns1 1057439589 SQKNKYKLTSSPHI-UHFFFAOYSA-N 310.379 -0.108 30 20 DBED C=C[C@](C)(O)CC(=O)N(CCO)CCNC(=O)[C@H]1CCOC1 1057450528 SLVISKSWWGNXKH-WFASDCNBSA-N 314.382 -0.713 30 20 DBED CCOC1CC(C(=O)N(CCO)CCNC(=O)[C@H](C)C#N)C1 1057491863 ZJYIKWMLQADXJZ-PNESKVBLSA-N 311.382 -0.102 30 20 DBED Cc1nn(C)cc1C(=O)NCCN(CCO)C(=O)C#CC1CC1 1057531039 CTDHNSZJSRRKGF-UHFFFAOYSA-N 318.377 -0.307 30 20 DBED O=C(NCCN(CCO)C(=O)C#CC1CC1)[C@H]1CC1(F)F 1057531528 SJWNBDNUGMRVBW-LLVKDONJSA-N 300.305 -0.008 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)[C@@H]1CCN(C)C1 1057631649 BWKNDSRVUFQIDL-CYBMUJFWSA-N 313.398 -0.922 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCN(CCO)C(=O)c1ccn(C)n1 1057637975 VBXHOLAATTVRAP-OAHLLOKOSA-N 324.381 -0.702 30 20 DBED N#Cc1ccc(N2CCC[C@@H](NC(=O)Cc3nc[nH]n3)C2)nn1 1058194018 MQLVBBVMFSDQMD-LLVKDONJSA-N 312.337 -0.206 30 20 DBED C#Cc1ccc(C(=O)N(CCO)CCNC(=O)COCC)nc1 1058238873 VOUJYSRFVOSNFV-UHFFFAOYSA-N 319.361 -0.350 30 20 DBED N#Cc1nccnc1N1CC[C@H](NC(=O)[C@H]2COCCO2)C1 1058305223 SFPGKCBEIWNVIQ-CMPLNLGQSA-N 303.322 -0.541 30 20 DBED CCn1nncc1C(=O)N[C@H]1CCN(c2ccc(C#N)nn2)C1 1058353260 BIANMEUGUICUEH-NSHDSACASA-N 312.337 -0.032 30 20 DBED Cc1ncc(C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N)n1C 1058498856 HTACKICMXFDFJJ-JTQLQIEISA-N 307.354 -0.561 30 20 DBED Cc1cc(C#N)nc(N[C@H]2C[C@H](NC(=O)[C@@H]3COC(=O)N3)C2)n1 1059212047 PFFJMAMGXFCHGO-QXEWZRGKSA-N 316.321 -0.176 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[C@H]1CCN(C(=O)C(N)=O)C1 1060281968 QVFDEYUDQUFXBU-AVGNSLFASA-N 323.393 -0.192 30 20 DBED C#CCCCC(=O)N1CCC2(CC1)CN(C(=O)CNC(N)=O)C2 1060893311 CBJOLEOPXUIQAZ-UHFFFAOYSA-N 320.393 -0.091 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H]1CCN(C(=O)Cn2ncnn2)C1 1060928594 YNMDKYPBYZVUEP-NSHDSACASA-N 312.337 -0.678 30 20 DBED C#CCCCC(=O)N1CCOC[C@@H]1CNC(=O)c1cnnn1C 1061545987 IYZIGAYTJYAPSK-LBPRGKRZSA-N 319.365 -0.424 30 20 DBED C=CCOCC(=O)NC1(CNC(=O)[C@H]2CCC(=O)N2)CCC1 1062707317 XOGLZNNZNZUJPE-LLVKDONJSA-N 309.366 -0.377 30 20 DBED C=CCOCC(=O)NC1(CNC(=O)c2cn(C)nn2)CCC1 1062922780 YTMPNVOLSRXYPQ-UHFFFAOYSA-N 307.354 -0.214 30 20 DBED N#Cc1nccnc1N1CCO[C@@H](CNC(=O)[C@@H]2CCOC2)C1 1063618666 IEHFTJIQCVAIAV-NEPJUHHUSA-N 317.349 -0.294 30 20 DBED C=C(C)CCC(=O)N1CCO[C@H](CNC(=O)[C@@H]2CCNC2=O)C1 1065227262 YXGLTANEBXROII-CHWSQXEVSA-N 323.393 -0.178 30 20 DBED C=CCO[C@H](C)C(=O)N1CCO[C@@H](CNC(=O)c2cnon2)C1 1065278033 FOXQSZFMKUTTAH-MNOVXSKESA-N 324.337 -0.382 30 20 DBED C#CCCCCCC(=O)NC[C@H]1CN(C(=O)C(N)=O)CCO1 1065556476 UACPFLHYQFPOIR-LBPRGKRZSA-N 309.366 -0.601 30 20 DBED N#Cc1nccnc1N1C[C@H]2CCN(C(=O)C(N)=O)CC[C@H]2C1 1067458512 JHUPVKKDOLSOTK-PHIMTYICSA-N 314.349 -0.492 30 20 DBED C=CC(C)(C)C(=O)N1CC2(C[C@H](NC(=O)CC(N)=O)CO2)C1 1068781320 AIQZHCPVOCBXRW-JTQLQIEISA-N 309.366 -0.440 30 20 DBED CC#CCN1CCn2ncc(CNC(=O)[C@@H]3CCNC3=O)c2C1 1069869919 KEZSHLLJVLNIQC-CYBMUJFWSA-N 315.377 -0.526 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCCN(C(=O)CNC(=O)NC)C1 1070856130 INYKKHIGIROAHB-GFCCVEGCSA-N 324.381 -0.938 30 20 DBED Cc1ccnn1CC(=O)N1CCC(=O)NCCN(CC#N)CC1 1071004741 QBMYPOYITMQRDN-UHFFFAOYSA-N 318.381 -0.634 30 20 DBED N#CCN[C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2COC(=O)N2)CC1 1071053403 RUMYHTSBGGTOFW-AGIUHOORSA-N 322.365 -0.396 30 20 DBED C=CCCOCC(=O)N[C@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1C 1072632081 IMZUVQLVJYYVAW-NEPJUHHUSA-N 323.393 -0.192 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCC(C)(NC(=O)CC(N)=O)CC1 1072985681 QCTDUYNHLXRJFN-HNNXBMFYSA-N 311.382 -0.314 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@@H]3OCCN(CCO)[C@H]3C2)cn1 1074387315 JBEBZVFQILQTTC-HOTGVXAUSA-N 315.373 -0.030 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CCN(C(=O)c2cnccn2)CC1 1074436328 FPKFLQYTOPMLBS-NSHDSACASA-N 317.349 -0.280 30 20 DBED C#CCOCCC(=O)N[C@@H](C)CCNC(=O)[C@H]1CCN(C)C1 1076587710 BDZIDFSESOSSDJ-KBPBESRZSA-N 309.410 -0.011 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCS(=O)(=O)C2)C1 1077333813 POOADYOBTGSGLF-QJPTWQEYSA-N 302.396 -0.842 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)c2cn(C)c(=O)cn2)C1 1077413322 RDDRIMCSLIEXIX-DGCLKSJQSA-N 306.366 -0.479 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)c2c(O)nnc(C)c2C)C1 1077490097 RVVCBWHCUBQGFN-VXGBXAGGSA-N 304.350 -0.403 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)C(=O)N2CCC[C@H]2CC)C1 1077962764 SLTONYZEIHLTEG-MGPQQGTHSA-N 307.394 -0.428 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)c2cccc(C(=O)NC)n2)C1 1078098912 KXYAHWYGBQQHIT-ZIAGYGMSSA-N 318.377 -0.208 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)c2ccc(C(N)=O)cc2)C1 1078165195 VUOOGKFMZXSFDD-ZIAGYGMSSA-N 301.346 -0.416 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)CCCC(N)=O)C[C@H]1O 1081444357 HSRFXLGYADVQFE-QWHCGFSZSA-N 323.393 -0.619 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(C(=O)c2ncccn2)C[C@H]1O 1081471255 LFZDNLUYEUGEQJ-CHWSQXEVSA-N 314.345 -0.561 30 20 DBED C#CCOCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cc[nH]c2)C1 1081539121 JLPRGNBIYOVRST-UONOGXRCSA-N 319.361 -0.396 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2nonc2C)C1 1081580401 OCZSUNGJXSNMDG-GHMZBOCLSA-N 324.337 -0.870 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@H]1CCn2cncc2C1 1081867328 OFGKDJINFFTTCZ-IACUBPJLSA-N 303.366 -0.216 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)CN2C(=O)CC(C)(C)C2=O)C1 1083462367 HCXIMKWACDDGTI-MNOVXSKESA-N 309.366 -0.881 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCc3ncncc3C2)C1 1083517411 YYTNJAQXQZCKGG-GLQYFDAESA-N 300.362 -0.624 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)C2CCN(CC(F)F)CC2)C1 1083729583 HZYMHCQQGXICTF-NEPJUHHUSA-N 316.352 -0.352 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@H](C2CC2)N2CCOCC2)C1 1084079524 GZSWIJBSXMEESV-PMPSAXMXSA-N 321.421 -0.718 30 20 DBED Cc1nsc(N2CCCO[C@H](CNC(=O)C(N)=O)C2)c1C#N 1089556799 LYINBCMUOVZWNF-SECBINFHSA-N 323.378 -0.480 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1C 1090689886 XEELHFSMAGSGDH-MWLCHTKSSA-N 302.338 -0.575 30 20 DBED N#CCN1CC[C@H](NC(=O)c2cnn(CC3CC3)c2)[C@H](O)C1 1090708597 VRYWDLBEUDZQGC-UONOGXRCSA-N 303.366 -0.018 30 20 DBED COc1ccnc(O)c1C(=O)N[C@@H]1CCN(CC#N)C[C@@H]1O 1090731390 RESVJYMVRIPUMV-ZJUUUORDSA-N 306.322 -0.516 30 20 DBED N#Cc1ccc(N[C@H]2C[C@H](CNC(=O)Cn3cnnn3)C2)cn1 1091426551 WAIOPELFSAEAJE-MJHDQNEOSA-N 312.337 -0.053 30 20 DBED CCCOCC(=O)N[C@H]1CCN(c2cnc(C#N)cn2)C[C@@H]1O 1092143840 VANZDXNEZBRDIH-STQMWFEESA-N 319.365 -0.169 30 20 DBED C#CCN1C[C@@H](C)[C@H](CNC(=O)[C@@H]2CCc3nnc(O)n3C2)C1 1092742723 BETSGFPTUMXEMN-JHJVBQTASA-N 317.393 -0.137 30 20 DBED N#Cc1ccc(N2C[C@H]3[C@H](NC(=O)CNC(N)=O)[C@H]3C2)nc1 1093209927 JBWFLFOZZHUVFR-IWIIMEHWSA-N 300.322 -0.828 30 20 DBED CC(=O)NCC(=O)NC1[C@@H]2CN(c3cnc(C#N)cn3)C[C@@H]12 1093216129 WJKWZVVXSDOHIU-GHMZBOCLSA-N 300.322 -0.965 30 20 DBED N#Cc1cncc(NCCNC(=O)c2cccc(C(N)=O)n2)n1 1093687337 BLZBKQFJLOBASB-UHFFFAOYSA-N 311.305 -0.316 30 20 DBED Cc1cc(OCC(=O)NCCN=c2cc[nH]c(C#N)n2)no1 1093932069 IOGOKDXTHHYMGP-UHFFFAOYSA-N 302.294 -0.326 30 20 DBED C=CCCN1CC(n2cc(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])nn2)C1 1094290449 CCWDGBLTKXKPCP-CHWSQXEVSA-N 320.353 -0.008 30 20 DBED Cn1nc(C(=O)NCCCN=c2cc[nH]cc2C#N)ccc1=O 1094422535 GIJYOTWLGRVKBW-UHFFFAOYSA-N 312.333 -0.299 30 20 DBED CC(C)(C)C(=O)NCC(=O)NCCCN=c1cc[nH]c(C#N)n1 1094431428 KACKXEOLSLYEMS-UHFFFAOYSA-N 318.381 -0.149 30 20 DBED C#CCCN1CC(N2C[C@H](NC(=O)C3CCOCC3)CC2=O)C1 1094693330 OHYDMGLORRNAHL-CQSZACIVSA-N 319.405 -0.162 30 20 DBED C#CCCN1CC(N2C[C@H](NC(=O)c3csnn3)CC2=O)C1 1094767000 SPSLNAJPRAPTNU-SNVBAGLBSA-N 319.390 -0.424 30 20 DBED C=CCCN1CC(N2C[C@H](NC(=O)Cc3ncc[nH]3)CC2=O)C1 1094803188 IWDAJOTZZPOBJL-GFCCVEGCSA-N 317.393 -0.070 30 20 DBED C=C(C)CN1CC(N2C[C@H](NC(=O)Cn3cncn3)CC2=O)C1 1094813789 RGNRZGHSAFJQKN-GFCCVEGCSA-N 318.381 -0.745 30 20 DBED N#Cc1nc(=N[C@@H]2CCN(C(=O)CCCC(N)=O)C2)cc[nH]1 1095043688 CQCIYKIPGRLYRK-SNVBAGLBSA-N 302.338 -0.561 30 20 DBED CCC(=O)NCC(=O)N[C@H]1CCCN(c2cnc(C#N)cn2)C1 1096148790 JRTSADNJMBNHNQ-NSHDSACASA-N 316.365 -0.041 30 20 DBED N#Cc1nccc(N2CC[C@H](NC(=O)CCc3cnn[nH]3)C2)n1 1096487915 BZGGWWMHIQYWQO-NSHDSACASA-N 312.337 -0.206 30 20 DBED C[C@H](NC(N)=O)C(=O)NC[C@@H](N=c1cc[nH]c(C#N)n1)C1CC1 1096656169 NBBSFXMOLILIHM-WCBMZHEXSA-N 317.353 -0.866 30 20 DBED C[C@H](CNC(=O)CN1CCCNC1=O)N=c1cc[nH]c(C#N)n1 1098420682 SYOBYDIGOMQOJE-SNVBAGLBSA-N 317.353 -0.898 30 20 DBED C[C@@H](CCNC(=O)Cn1ncnn1)N=c1cc[nH]cc1C#N 1099553248 KGSOQAHSOBNXJY-JTQLQIEISA-N 300.326 -0.631 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)c2cnnc(O)c2)[C@H](O)C1 1099885326 LNTAWUNGDKGNMF-CHWSQXEVSA-N 322.365 -0.450 30 20 DBED CN(CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)c1ccc(C#N)cn1 1100324372 KSHGPWMXYFRUMT-NWDGAFQWSA-N 317.349 -0.461 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCCN(C)c1nccn2nnnc12 1100334674 NWSLFGBWTRQQGB-MNOVXSKESA-N 317.353 -0.337 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)[C@@H]2CCCCN2C)C1 1100447252 UREXBRUIRKGKMM-NRXISQOPSA-N 320.437 -0.296 30 20 DBED C#CCCNC1CC(CNC(=O)CN(C)CC(=O)NC(C)C)C1 1100478376 QKDXHVJAFCQEJJ-UHFFFAOYSA-N 322.453 -0.050 30 20 DBED COCC#CCNC1CC(CNC(=O)c2ccc(C(N)=O)[nH]2)C1 1100680978 PKGNLGVUGFNOJG-UHFFFAOYSA-N 318.377 -0.139 30 20 DBED N#Cc1ccc(N2CCC[C@@H]2CNC(=O)Cn2cnnn2)nn1 1100776433 IKMWOHLENGCLPN-LLVKDONJSA-N 313.325 -0.880 30 20 DBED COC(=O)NCC(=O)N(C)CCN=c1cc(C)[nH]cc1C#N 1101507361 VDEIJWYIIBIMRO-UHFFFAOYSA-N 305.338 -0.090 30 20 DBED CN(C)C(=O)CC(=O)N[C@H]1CC2(CN(CC#N)C2)n2ccnc21 1101646731 WCDYXQUKOZRHEG-NSHDSACASA-N 316.365 -0.543 30 20 DBED CN(CCNc1cncc(C#N)n1)C(=O)[C@@H]1CC[C@@H]1C(N)=O 1101902009 JKMCXKBCPDGUIF-WDEREUQCSA-N 302.338 -0.270 30 20 DBED N#Cc1nccnc1N1CC[C@H](CCNC(=O)CNC(N)=O)C1 1102283165 OLCLNNHCLMEPBO-JTQLQIEISA-N 317.353 -0.651 30 20 DBED COCC(=O)N[C@H](C(=O)NC[C@@H]1CN(CC#N)C[C@H]1C)C(C)C 1102444326 ODTKHBNUQUUEII-NFAWXSAZSA-N 324.425 -0.019 30 20 DBED CC[C@@H](CNC(=O)[C@H]1CCC(=O)N1)Nc1ccc(C#N)nn1 1102992367 PVSNSVGCYBIFBT-GXSJLCMTSA-N 302.338 -0.066 30 20 DBED C[C@H](CN=c1cc[nH]cc1C#N)CNC(=O)[C@@H]1CCNC1=O 1104156952 BEJRUXDTXLHRTO-ZYHUDNBSSA-N 301.350 -0.325 30 20 DBED C[C@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)CNc1cncc(C#N)n1 1104210770 ZOJJBHICOGPNFJ-GDPRMGEGSA-N 302.338 -0.366 30 20 DBED C[C@@H](CNc1cnc(C#N)cn1)N(C)C(=O)[C@H]1CN(C)CCO1 1104537760 IJLKCMXAYONXPI-WCQYABFASA-N 318.381 -0.062 30 20 DBED CC(C)[C@@H](CNC(=O)[C@@H](C)CC(N)=O)N=c1cc[nH]c(C#N)n1 1105263506 XQGCZKFOFSUETP-WDEREUQCSA-N 318.381 -0.166 30 20 DBED C#CCCNCc1cn(C2CN(C(=O)[C@@H](C)CC(N)=O)C2)nn1 1105301642 TXBUGVRJFNDVNW-NSHDSACASA-N 318.381 -0.714 30 20 DBED CN(CCN(C)c1cnc(C#N)cn1)C(=O)CN1CCCC1=O 1105344447 FBEZKTLHIZUICB-UHFFFAOYSA-N 316.365 -0.135 30 20 DBED CN(CCN(C)c1ccc(C#N)nn1)C(=O)c1cnnn1C 1105393332 RCUJWGLESGWKLE-UHFFFAOYSA-N 300.326 -0.315 30 20 DBED CN1C[C@H](C(=O)N(C)CCN(C)c2ccnc(C#N)n2)CC1=O 1105584679 LRAQSTWPKLYXJE-LLVKDONJSA-N 316.365 -0.279 30 20 DBED C#CCCCC(=O)NC[C@@H](O)CNc1cc(C)nc(CO)n1 1105795791 HONLLARPWDSILZ-LBPRGKRZSA-N 306.366 -0.030 30 20 DBED C=CCO[C@@H](C)C(=O)NC[C@@H](O)CNc1nccc(OC)n1 1105892509 YOXPYYRLECRVHP-WDEREUQCSA-N 310.354 -0.035 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@H](O)CNc1ncccn1 1105966962 SFMFRNWFVATHKP-STQMWFEESA-N 321.381 -0.164 30 20 DBED Cc1c[nH]c(C(=O)NC[C@H](O)CNc2ccc(C#N)nn2)n1 1106135279 QAHIDXUAWLUKIA-SNVBAGLBSA-N 301.310 -0.417 30 20 DBED COC(=O)c1nc(=NC/C=C\CNC(=O)[C@H](C)C#N)cc[nH]1 1107080032 GVQXDQODATZJLB-UMBAGQNISA-N 303.322 -0.071 30 20 DBED C[C@@H](CNc1ccc(C#N)nn1)NC(=O)CN1CCCC1=O 1108247505 QRPXKUPEVZOGTP-JTQLQIEISA-N 302.338 -0.113 30 20 DBED Cc1ccc(=O)n(CC(=O)NC[C@@]2(C)CN(CC#N)CCO2)n1 1108355025 UFGHFDAITZPJDI-HNNXBMFYSA-N 319.365 -0.718 30 20 DBED C[C@@H](CNc1nccnc1C#N)NC(=O)C1CC(=O)NC(=O)C1 1108441665 SUAHLELJFJGVBR-QMMMGPOBSA-N 316.321 -0.682 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)CC3(O)CCC3)CC2=O)C1 1108545172 PXCHOTZLQBPKIK-GFCCVEGCSA-N 307.394 -0.121 30 20 DBED CNC(=O)NCC(=O)N[C@H](C)CN(C)c1ccnc(C#N)n1 1109288329 WUGXXZUJGLKUQL-SECBINFHSA-N 305.342 -0.782 30 20 DBED CC1(NC(=O)CNC(N)=O)CCN(c2cnc(C#N)cn2)CC1 1110571006 LDAPJNYFZJKZTO-UHFFFAOYSA-N 317.353 -0.508 30 20 DBED C=CCOCCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H]1CNC(=O)N1 1110961163 UFPZVTWILXOWEP-NDBYEHHHSA-N 308.382 -0.408 30 20 DBED N#Cc1ccc(N2CC[C@@](O)(CNC(=O)c3cnn[nH]3)C2)cn1 1111143632 VJBITLUNCXHFEC-CQSZACIVSA-N 313.321 -0.557 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)c2ccc(F)nc2)CC1 1112711466 CFLQEXSJRZXADA-UHFFFAOYSA-N 305.313 -0.382 30 20 DBED C#CCNC(=O)CC(=O)N1CCN([C@H](C)c2cnccn2)CC1 1112777626 FWMDUILWIBHVDC-CYBMUJFWSA-N 315.377 -0.179 30 20 DBED CNC(=O)NCC(=O)N[C@@H](C)[C@H](C)Nc1ccc(C#N)nn1 1113350647 WSOWUWVETGIGHM-IUCAKERBSA-N 305.342 -0.418 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@H](C)OCCOC)CC1 1113396051 AJFMBVAKPGXLAC-ZDUSSCGKSA-N 313.398 -0.516 30 20 DBED C=C(C)CN1CCN(C(=O)[C@H](CCC(N)=O)NC(C)=O)CC1 1113435630 RSQOGSOFYRUZNE-ZDUSSCGKSA-N 310.398 -0.523 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)CCn2cccc2)CC1 1113455369 CZPVQMCEDYRCTH-UHFFFAOYSA-N 303.366 -0.338 30 20 DBED C#Cc1ccc(C(=O)N2CCN(CCOCCO)CC2)nc1 1113559410 SFLJHRNJAPLALH-UHFFFAOYSA-N 303.362 -0.170 30 20 DBED C[C@@H](CNC(=O)[C@H]1COC(=O)N1)N(C)c1ccc(C#N)nn1 1113590354 BRDXJFBDXDEIQL-WCBMZHEXSA-N 304.310 -0.602 30 20 DBED C[C@@H](CNC(=O)CCNC(N)=O)N(C)c1cnc(C#N)cn1 1113609413 KHDMSMYCHREDDR-VIFPVBQESA-N 305.342 -0.652 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3cc(C)n(C)n3)[C@H]2C1 1113947439 AAOJGJMKFZESQB-RYUDHWBXSA-N 315.377 -0.862 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)c3ncoc3C)[C@@H]2C1 1113952382 CSVRSRXZFVRBHY-GHMZBOCLSA-N 302.334 -0.608 30 20 DBED CC(C)(C)C#CC(=O)N[C@H]1[C@@H]2CN([C@H]3CCC(=O)NC3=O)C[C@@H]21 1114255321 GTXWWNFSZQWQML-OZTPJHRESA-N 317.389 -0.113 30 20 DBED CC#CCN1C[C@H]2[C@H](NC(=O)CCc3nnc(O)nc3O)[C@H]2C1 1114512933 JOJBBMLENVYRNB-IWIIMEHWSA-N 317.349 -0.715 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3csnn3)[C@H]2C1 1114635595 KXXGWHNQSUQMDF-GDGBQDQQSA-N 307.379 -0.500 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)c3c[nH]nc3C)[C@H]2C1 1114652694 RSLSPIMZELFREJ-ZZVYKPCYSA-N 315.377 -0.484 30 20 DBED C=CCOCCN1C[C@@H]2C(NC(=O)c3c[nH]c(=O)cn3)[C@H]2C1 1114739847 WOXQTLLZWBMEMC-QWRGUYRKSA-N 304.350 -0.368 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)CC(=O)N(C)C)[C@H]2C1 1114947790 QUIILHRAPONOSI-SRVKXCTJSA-N 322.409 -0.798 30 20 DBED C=CCCN1C[C@H]2C(NC(=O)COCc3ncnn3C)[C@@H]2C1 1115043436 BGHSWPHDDZEEBV-VXGBXAGGSA-N 305.382 -0.046 30 20 DBED C#Cc1ccc(C(=O)N2CCC[C@@H](CNS(N)(=O)=O)C2)cn1 1116114041 BSAQVRQESOHGHI-NSHDSACASA-N 322.390 -0.292 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2CC[C@](O)(CC)C2)C1=O 1117963224 NUAGQIPDCFEOOZ-MLGOLLRUSA-N 323.393 -0.395 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N(C)Cc1nc(C)no1 1119261155 AFXNFVUETCMXHF-NSHDSACASA-N 308.338 -0.119 30 20 DBED C[C@H](C#N)C(=O)NC1CC2(C1)CC(N[C@@H]1CCC(=O)NC1=O)C2 1120855166 XGAOPVSRHFJACD-BSZCRUJXSA-N 318.377 -0.032 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)Cn2cccn2)nc1 1121057075 ZDMNDZOTIVSIBH-LBPRGKRZSA-N 300.322 -0.261 30 20 DBED Cn1ncc(C(=O)NC[C@@H](CO)Nc2ccc(C#N)nc2)c1N 1121331020 BAUBUNSSUOEVOK-NSHDSACASA-N 315.337 -0.528 30 20 DBED C=CCn1c(N2CCN(C(C)=O)CC2)nnc1[C@]1(O)CCOC1 1121726215 PVBQEFCXSBZHHK-HNNXBMFYSA-N 321.381 -0.260 30 20 DBED N#Cc1cccnc1N[C@@H](CO)CNC(=O)C[C@H]1CCC(=O)N1 1121771873 YQVFKSVMUDOXIH-VXGBXAGGSA-N 317.349 -0.489 30 20 DBED C[C@]1(C(=O)NC[C@H](CO)N=c2cc[nH]c(C#N)n2)CCCOC1 1121935368 CLNOIXSUKJOKFS-ABAIWWIYSA-N 319.365 -0.524 30 20 DBED COC[C@H](C)CC(=O)NC[C@@H](CO)Nc1cncc(C#N)n1 1121985350 QTZABRFVOJNFSC-PWSUYJOCSA-N 307.354 -0.090 30 20 DBED N#Cc1cnc(NC[C@H]2CC[C@@H](NC(=O)CNC(N)=O)C2)cn1 1123719458 PALQJUIAPXUZAW-VHSXEESVSA-N 317.353 -0.287 30 20 DBED CN(C[C@@H](O)CNc1nccnc1C#N)C(=O)CC(C)(C)O 1124290772 UQSCDAJYENHGDH-JTQLQIEISA-N 307.354 -0.260 30 20 DBED COC[C@@H](OC)C(=O)N(C)C[C@@H](O)CNc1ncccc1C#N 1124721410 MYFYTEXCASGQHR-QWHCGFSZSA-N 322.365 -0.154 30 20 DBED C=CCOCCCC(=O)NCCN[C@@H](C)C(=O)NC(=O)NC 1125255957 PMZAQUDEWAJLBH-NSHDSACASA-N 314.386 -0.481 30 20 DBED CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)c1ccc(C#N)[nH]1 1125776042 FLSRLZCIJMHFIF-VIFPVBQESA-N 320.353 -0.560 30 20 DBED COCCC(=O)NCCN(CCOC)c1cncc(C#N)n1 1126162427 YLHVLBBNWSGJCM-UHFFFAOYSA-N 307.354 -0.046 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1ccn(CC(C)C)n1 1128437149 OHPATDWQJQZJNF-UHFFFAOYSA-N 305.382 -0.392 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCNCc1nnc(C)n1CC 1129775259 KWOVDZMWWAPWPA-AWEZNQCLSA-N 318.425 -0.090 30 20 DBED COCC#CCNCCNC(=O)c1nc2ncc(C)cn2n1 1130076800 BYRSLVIDGIXOCP-UHFFFAOYSA-N 302.338 -0.598 30 20 DBED C#CCN1C[C@@H](OC)C[C@H]1c1n[nH]c(CNC(=O)CCOC)n1 1130253838 RXFKBYKCIGFMOA-RYUDHWBXSA-N 321.381 -0.148 30 20 DBED C[C@H]1CCN(C(=O)C(F)F)C[C@@H]1CNCC(=O)NCC#N 1132573060 WQRCSUPUHVSOIB-UWVGGRQHSA-N 302.325 -0.035 30 20 DBED C=CCOCCNC[C@H]1CN(C(=O)Cn2cnnn2)CC[C@@H]1C 1132616566 ANBUWLXGBHUCIJ-KBPBESRZSA-N 322.413 -0.050 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@H](C)N(C)CC(F)(F)F 1132788008 UAHYKYBGUJKPEH-JTQLQIEISA-N 324.347 -0.123 30 20 DBED C=CCN[C@@H](C)C[C@H](C)NC(=O)CN(C)S(=O)(=O)N(C)C 1134351982 MRLZXNDLVJIBQH-RYUDHWBXSA-N 320.459 -0.217 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@@H]1CCCN1C(=O)C1CC1 1134890379 KNPOLIAKTCJKOD-ZDUSSCGKSA-N 322.409 -0.605 30 20 DBED COCC#CCNCCNC(=O)C1(S(C)(=O)=O)CCC1 1136107777 UHFPIGPFYLEPBO-UHFFFAOYSA-N 302.396 -0.691 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)CN(C)C(C)C 1146591085 FUWNJKVNUSGSAW-ZIAGYGMSSA-N 310.442 -0.051 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)C[C@H](C)n1cccn1 1147097059 QOBMVGBOPUNTEA-QWHCGFSZSA-N 305.382 -0.322 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CN(CC(=O)N2CCCC2)CCCO1 1149400685 XMDUTCZJXRJGDL-UONOGXRCSA-N 322.409 -0.024 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)COCC1CC1 1152060511 KJKSEPHZXYKQNG-CYBMUJFWSA-N 309.410 -0.011 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H](C)N(CC)C[C@H](O)COC 1153306632 NIVHIDOTAYPPIQ-MCIONIFRSA-N 300.399 -0.141 30 20 DBED Cc1cc(NC(=O)CNCCCNC(=O)[C@@H](C)C#N)n(C)n1 1155860566 OAOCLEJDLIYPRB-JTQLQIEISA-N 306.370 -0.077 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1ccnc2[nH]cnc12 1159007804 AJUPCEHPXKMUNE-UHFFFAOYSA-N 314.349 -0.583 30 20 DBED C=CCOCCNCCCNC(=O)CCCS(N)(=O)=O 1165565967 IQWRJKSOSAIOJT-UHFFFAOYSA-N 307.416 -0.646 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1ccc2cccnn12 1167779142 UVVRELHPIFJYFE-UHFFFAOYSA-N 313.361 -0.207 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)C[C@@H]2CCC(=O)N2)C1=O 1168231628 KCSOEEKTQYFJOW-QWHCGFSZSA-N 322.409 -0.462 30 20 DBED C=CCO[C@@H](C)C(=O)NCCCNCCNS(=O)(=O)CC 1177277871 XBDRRXYCBWWALW-LBPRGKRZSA-N 321.443 -0.387 30 20 DBED C=CCNC(=O)CNCCCNC(=O)c1cnc(OCC)cn1 1177508911 SQRGLQHAMQDFHS-UHFFFAOYSA-N 321.381 -0.113 30 20 DBED CCCNC(=O)NC(=O)CN[C@H]1CCN(C(=O)[C@H](C)C#N)[C@H]1C 1178366881 QHNQDXLGVIONMC-WOPDTQHZSA-N 323.397 -0.039 30 20 DBED CC#CCNCCCCCCNC(=O)Cn1cnc(C(N)=O)n1 1178522816 QIWRMXIAXVXCTG-UHFFFAOYSA-N 320.397 -0.334 30 20 DBED Cn1cnn(CCC(=O)NCCCCCCNCC#N)c1=O 1179129041 IPJXFUYIDYZMGD-UHFFFAOYSA-N 308.386 -0.238 30 20 DBED Cc1c[nH]c(C(=O)N2CC[C@H]3CN(CC(=O)NCC#N)C[C@H]32)n1 1189375665 SPVOETUUSUKBGP-NWDGAFQWSA-N 316.365 -0.496 30 20 DBED CCOCCNC(=O)CN(C)[C@@H]1CCN(C(=O)[C@@H](C)C#N)C1 1189391133 VWUNLRTUJFLUBI-QWHCGFSZSA-N 310.398 -0.169 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](N(C)[C@H](C)C(=O)N(C)C)C1 1189768767 BQFTURSYKRRFGM-OLZOCXBDSA-N 322.409 -0.865 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)C2CC(OC)C2)C1 1190818061 NXSIAMPTUWOSPZ-ROKHWSDSSA-N 307.394 -0.307 30 20 DBED C=CCCC(=O)N[C@@H]1CN(Cc2ncnn2CCF)C[C@H]1O 1191714892 LGWBJFONZUBWJB-VXGBXAGGSA-N 311.361 -0.125 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1191830989 ZDGXEMDVZOZNNB-CXTNEJHOSA-N 305.378 -0.839 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)c2oc(C)nc2C)C1 1192002438 BFYGMQQIQILEIX-CHWSQXEVSA-N 307.350 -0.284 30 20 DBED C=CCCN(C)[C@@H]1CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)C1 1192687083 ATQLXVGSBXOGSD-OLZOCXBDSA-N 310.398 -0.525 30 20 DBED CC#CCN(C)[C@@H]1CCN(C(=O)CN(C)S(=O)(=O)CC)C1 1193170012 JJEDGVMKJOKSLD-CYBMUJFWSA-N 315.439 -0.176 30 20 DBED COCC(=O)N(C)CC(=O)N[C@@H]1C[C@H](NCC#N)C12CCC2 1203004286 GVJCJYBDVXWHBU-NWDGAFQWSA-N 308.382 -0.368 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)Cn2ccnc2)CC1 1204075757 DGSOXACBPFCGTA-UHFFFAOYSA-N 305.382 -0.234 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCCN(C(=O)c2cn(C)cn2)C1 1207806214 BQAPSQHKXOLGFH-OLZOCXBDSA-N 317.393 -0.248 30 20 DBED CC#CCN1C[C@@H](NC(=O)[C@@H](C)NS(C)(=O)=O)[C@H](C)C1 1208924597 OAADVQXZHPMTIE-IJLUTSLNSA-N 301.412 -0.616 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@@]2(F)CCOC2)C1 1209242922 QVITXQKMALRTEN-BXUZGUMPSA-N 312.345 -0.665 30 20 DBED COCC#CCN1C[C@@H](NC(=O)C2(CN(C)C)CC2)[C@H](OC)C1 1213340257 YORRJAZASADKDH-HUUCEWRRSA-N 323.437 -0.207 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@H](C)NC(=O)C1CCC1 1213992576 DZRDVYFASRHVBG-CYZMBNFOSA-N 308.382 -0.370 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)c2cnnc(O)c2)C[C@H]1C 1214911414 YIEPVYIKAAWRSZ-DGCLKSJQSA-N 304.350 -0.118 30 20 DBED CCn1ccc(C(=O)N2C[C@@H](NCC(=O)NCC#N)[C@H](C)C2)n1 1215778375 IORLUEJOIGMROG-DGCLKSJQSA-N 318.381 -0.407 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)COC[C@H]1CCOC1 1218715190 CTENADJRJQQFKK-HRCADAONSA-N 322.405 -0.026 30 20 DBED C=CCCCN1C[C@H](O)[C@H](NC(=O)CCCCNC(N)=O)C1 1219963602 WNSGQDZAJCDLIY-OLZOCXBDSA-N 312.414 -0.048 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](NC(=O)COc2cnn(C)c2)C1 1220227604 XARQDAAZSVROFD-KGLIPLIRSA-N 308.382 -0.074 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)CS(=O)(=O)CCCC)C1 1221105437 JWCZNMIPJCQZRZ-NEPJUHHUSA-N 304.412 -0.451 30 20 DBED N#CCSCC(=O)N1C[C@H]2CCN(Cc3nc(O)n[nH]3)C[C@H]21 1221289560 UELATPAAJGQRJP-NXEZZACHSA-N 322.394 -0.200 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCC[C@@H](NCc2nnn(C)n2)C1 1222067872 MWNYBRRGYHBVND-NWDGAFQWSA-N 308.386 -0.118 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC(NC(=O)C2=COCCO2)CC1 1225897488 OZYZOUWHBONZQH-GFCCVEGCSA-N 321.377 -0.407 30 20 DBED CCN1CCOC[C@H]1C(=O)NC1CCN(CC#CCOC)CC1 1228096583 PSUVJUBJHDYHAG-INIZCTEOSA-N 323.437 -0.063 30 20 DBED N#CCNC(=O)CN1CCC(NC(=O)[C@@H]2C[C@]23CCOC3)CC1 1229927748 YIKMGPNGGUPPIJ-BBRMVZONSA-N 320.393 -0.367 30 20 DBED C=CCn1c(-c2ccn(C)c(=O)c2)nnc1N1CCNC(=O)C1 1262968250 XTJATZBKQPLJEA-UHFFFAOYSA-N 314.349 -0.234 30 20 DBED N#CCNC(=O)CNC[C@H]1CCCN1C(=O)c1cc[n+]([O-])cc1 1277795743 BOBPFWXLMTWTQE-CYBMUJFWSA-N 317.349 -0.846 30 20 DBED C=CC[C@H](NS(=O)(=O)CCS(C)(=O)=O)C(=O)OCC 1320436313 HOCMKZVDPPYIAX-VIFPVBQESA-N 313.397 -0.542 30 20 DBED C=CCN1CC(=O)N(CCN/C(O)=C2\N=CC=CC2=O)C1=O 1321951440 ZQSPDJMVAJUUHI-OUKQBFOZSA-N 304.306 -0.037 30 20 DBED C[C@H]1CN(C(=O)C(=O)NCc2ccc(C#N)cc2)C[C@@H](CO)O1 1322161331 DSIYWIYGUHIDDC-FZMZJTMJSA-N 317.345 -0.217 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N[C@@H]1CCN(C(=O)NCC)C1 1323527520 GRIRVCXXSUPTGG-GHMZBOCLSA-N 312.370 -0.776 30 20 DBED C#CCNC(=O)[C@@H](C)OC(=O)C[C@@H]1CCCS(=O)(=O)C1 1324277916 DQJBRZRACZYTAG-MNOVXSKESA-N 301.364 -0.118 30 20 DBED CCC[C@@]1(CO)CCN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)C1 1326547330 OGYHLLIBSBPZNL-CVEARBPZSA-N 323.393 -0.125 30 20 DBED Cc1cc(NC(=O)C(=O)NCCN2CCCC2=O)ncc1C#N 1327619650 RBXPDLASZLLFIK-UHFFFAOYSA-N 315.333 -0.061 30 20 DBED C=CCn1cc(CNC(=O)N2CC[C@H](S(N)(=O)=O)C2)nn1 1328045178 GTYHPVMBZPFTMG-JTQLQIEISA-N 314.371 -0.964 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)NCCOCCF)CCN1C1CC1 1331056513 DOCSOGYXSUKKSG-LBPRGKRZSA-N 312.345 -0.713 30 20 DBED C=CCn1c([C@@H](C)O)nnc1N1CCN(CC(=O)N(C)C)CC1 1340435343 AHVGXZYZGHCUAR-GFCCVEGCSA-N 322.413 -0.272 30 20 DBED C#CCNC(=O)C1CCN(C(=O)C(=O)N2CC[C@H](C)C2)CC1 1344873240 JNLZHHAPLHBBEI-LBPRGKRZSA-N 305.378 -0.157 30 20 DBED C=CCCN(C)C(=O)C(=O)NCCS(=O)(=O)CC1CC1 1347094973 MWSXKPRJBPHGEX-UHFFFAOYSA-N 302.396 -0.038 30 20 DBED C#CCN(CC)c1nnc(CN2CCC(C(N)=O)CC2)n1C 1350412727 MDPROJQUGPWUHQ-UHFFFAOYSA-N 304.398 -0.028 30 20 DBED C=C[C@](C)(O)C(=O)NC1CCN(CCS(C)(=O)=O)CC1 1350673752 JESNAUHPJQFKHJ-ZDUSSCGKSA-N 304.412 -0.451 30 20 DBED N#CCCN1CCN(C(=O)C(=O)NC2CC(F)(F)C2)CC1 1352501297 RMGHXRGBENLTJF-UHFFFAOYSA-N 300.309 -0.042 30 20 DBED CC1(C)CN(C(=O)CCn2cc(C#N)c(O)nc2=O)CCO1 1361796797 KYBGMZVDRKMGGG-UHFFFAOYSA-N 306.322 -0.152 30 20 DBED N#Cc1cn(CC(=O)N[C@H]2CC[C@@H](CO)CC2)c(=O)nc1O 1362469813 BXJIAANTVHBOOW-JGZJWPJOSA-N 306.322 -0.512 30 20 DBED N#Cc1cn(CCNC(=O)c2ccncc2F)c(=O)nc1O 1362999309 IHQTWEBKCNUMPE-UHFFFAOYSA-N 303.253 -0.215 30 20 DBED CCS(=O)(=O)N[C@@H](C)C(=O)NCC1(C#N)CCOCC1 1363699340 WITFIJOYCXDXPT-JTQLQIEISA-N 303.384 -0.249 30 20 DBED N#Cc1ccc(NC(=O)NC[C@]2(O)CCS(=O)(=O)C2)nc1 1364409229 WOLICQKVSXZZOO-GFCCVEGCSA-N 310.335 -0.376 30 20 DBED COC(=O)[C@](C)(CO)NS(=O)(=O)c1cccc(F)c1C#N 1365418595 SPBYMWSEXAESOK-LBPRGKRZSA-N 316.310 -0.100 30 20 DBED C[C@H](CC(N)=O)C(=O)N(C)[C@H](C)CNC(=O)c1cc(C#N)c[nH]1 1380676177 XDNNFADAKUXZNG-NXEZZACHSA-N 319.365 -0.025 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CCN(C(=O)CNC(=O)N2CCCC2)C1 1385612968 MKMFGVVEYYWKSU-NEPJUHHUSA-N 321.381 -0.331 30 20 DBED Cc1nonc1CNC[C@H](O)CN(C)C(=O)c1cc(C#N)c[nH]1 1403828244 MYQDJQYYFZNWPH-NSHDSACASA-N 318.337 -0.200 30 20 DBED CO[C@H](C(=O)NCCN(C)C(=O)[C@@H](C)C#N)c1cnn(C)c1 1408636843 QBXBNSVZKVVNPN-JQWIXIFHSA-N 307.354 -0.158 30 20 DBED COc1cccc(CC(=O)NC[C@@H](O)CNC(=O)[C@H](C)C#N)c1 1416783049 UXVBVKFOFHPJKW-DGCLKSJQSA-N 319.361 -0.009 30 20 DBED CC1CCN(C(=O)CN2CC(O)(CNC(=O)[C@H](C)C#N)C2)CC1 1423827248 JFUVQZHMSLXKSA-CYBMUJFWSA-N 322.409 -0.433 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@@H]1CCN(C(=O)C2(NC(N)=O)CC2)C1 1427437092 CECVDWIUAAYRRX-VHSXEESVSA-N 307.354 -0.594 30 20 DBED CCN(CCNC(=O)[C@H](C)NC(C)=O)C(=O)c1ccc(C#N)[nH]1 1449298790 KSUBOLPHOWSTTM-JTQLQIEISA-N 319.365 -0.011 30 20 DBED CNC(=O)NCC(=O)NCC1(NC(=O)c2cc(C#N)c[nH]2)CC1 1458970264 WBAHLHUNDVUFCD-UHFFFAOYSA-N 318.337 -0.806 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)COc2cccnc2)C1 1489371986 MSLNGKFTQPMNLZ-CYZMBNFOSA-N 318.333 -0.692 30 20 DBED C#CCCN1CCC(NC(=O)[C@H]2CN3CCN2C[C@@H]3C)CC1 1527802415 ACZSUPBUTLTERH-GOEBONIOSA-N 304.438 -0.021 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C)C(=O)CNC(=O)c1ccncc1 1528596781 MQURBPHUMILKPU-NSHDSACASA-N 317.349 -0.454 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)CCCn1ccnc1 1533290913 ZOFVUQXFXUESBE-VXGBXAGGSA-N 307.354 -0.584 30 20 DBED CC(C)N1CCC(C(=O)NC[C@H](O)CNC(=O)[C@H](C)C#N)CC1 1533320275 KBRXIXUOKSUNSM-TZMCWYRMSA-N 324.425 -0.140 30 20 DBED N#Cc1cn(CCC(=O)N(CC(=O)O)CC2CC2)c(=O)nc1O 1574493425 LOEQAUORHUEOLD-UHFFFAOYSA-N 320.305 -0.466 30 20 DBED COC[C@]1(CO)CCN(c2cnc(-c3nn[nH]n3)c(C#N)n2)C1 1579747071 NLZKCOBZCZADET-CYBMUJFWSA-N 316.325 -0.636 30 20 DBED N#Cc1cn(CC(=O)N[C@@H]2C[C@H]3CN[C@@H](C3)C2)c(=O)nc1O 1580081037 PSFZFHLXFNLYNF-INTQDDNPSA-N 303.322 -0.923 30 20 DBED C#CC[C@@H](NC(=O)CN(C)C(=O)[C@H](C)n1cccn1)C(=O)O 1588406118 YBKXLWFHEMHTBB-WDEREUQCSA-N 306.322 -0.505 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@]2(C(=O)O)C[C@H]2C)CC1 1588431219 URQBJWKTOBNPJG-WBMJQRKESA-N 321.377 -0.619 30 20 DBED C#CCCN1CC(n2cc(CNC(=O)[C@@H]3C[C@H]3C(=O)O)nn2)C1 1588447797 QJOIDGOFIYERSU-CHWSQXEVSA-N 317.349 -0.505 30 20 DBED Cn1nnc(CSc2nc(N)c(C#N)cc2-c2nn[nH]n2)n1 1592609303 QVYPVRAOUYVIJM-UHFFFAOYSA-N 315.326 -0.469 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)NC2CCC(C(=O)O)CC2)CCO1 1594605807 KBSJJACJATWPQP-VQXHTEKXSA-N 309.322 -0.503 30 20 DBED O=C(O)[C@@H]1CS(=O)(=O)CCN1C(=O)C#Cc1ccccc1 1594960154 QOCUXSREVRAWBZ-LBPRGKRZSA-N 307.327 -0.252 30 20 DBED CN1CCN(C(=O)NC2CCN(CC#N)CC2)C[C@H](C(=O)O)C1 1598608381 XTVQUNXWYQZGHJ-GFCCVEGCSA-N 323.397 -0.368 30 20 DBED C#CCN(CC(=O)O)C(=O)NC[C@@H]1CCCS(=O)(=O)C1 1602686032 OGVGQBARRRJLNP-JTQLQIEISA-N 302.352 -0.459 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)O[C@@H]1CCN(CC(=O)O)C1=O 1602709980 NHNUYCWFCAWGKE-GHMZBOCLSA-N 312.322 -0.314 30 20 DBED O=C(O)CC[C@@H]1C[C@H](C(=O)N[C@H]2CCCN(O)C2=O)CO1 1606107437 KRXXPQZFDHPLFM-AEJSXWLSSA-N 300.311 -0.247 30 20 DBED CCOCCOCC(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[nH]1 1609240788 FLBCUPAAKZNLLV-UHFFFAOYSA-N 306.286 -0.547 30 20 DBED N#CCC1(O)CN(C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 1609494556 HOXYZCHKWLWJGG-LBPRGKRZSA-N 300.322 -0.140 30 20 DBED N#Cc1nc(N)n(CC(=O)OCC(F)(F)F)c1-c1nn[nH]n1 1609500856 FFIYOQKZAHPNPB-UHFFFAOYSA-N 316.203 -0.377 30 20 DBED Cc1c(NC(=O)C(=O)N(C)[C@@H](C)CC#N)cnn1CC(=O)O 1610417725 PCOBUWHISINDHN-QMMMGPOBSA-N 307.310 -0.025 30 20 DBED CNC(=O)CN1CCC(NC(=O)N2CC[C@@](O)(CC#N)C2)CC1 1647235553 JOQPCJFVGVZFMJ-HNNXBMFYSA-N 323.397 -0.743 30 20 DBED C=CCCN1CCC[C@@H](CNC(=O)CNS(=O)(=O)NC)C1 1752785308 UEJHNYXPXFYNGF-LBPRGKRZSA-N 318.443 -0.556 30 20 DBED COCC#CCNC[C@@H]1CCCN(C(=O)[C@@H]2CCNC2=O)C1 1752803746 AIRMRGKJLITQMF-UONOGXRCSA-N 307.394 -0.400 30 20 DBED C#CCNC(=O)CNC[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 1752936487 SBLCIWYDZLUKDJ-GFCCVEGCSA-N 313.361 -0.313 30 20 DBED C=CCOCC(=O)N1CCC[C@H](N(C)CC(=O)NCC#N)C1 1752988443 LKTFUEAHFIDNCF-ZDUSSCGKSA-N 308.382 -0.248 30 20 DBED Cc1cc(C(=O)NC[C@@H]2CCN(CC(=O)NCC#N)C2)cnn1 1753124194 XUQMPAPUGHTRON-LBPRGKRZSA-N 316.365 -0.524 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@H](CNC(=O)CCN(C)CC)C1 1753138885 ZVJYZASSOVIMPS-LSDHHAIUSA-N 322.453 -0.096 30 20 DBED CC#CCN(CCNC(=O)CN1CC(=O)N(C)C1=O)C1CC1 1753162411 JBIBMHVHTSJIPJ-UHFFFAOYSA-N 306.366 -0.516 30 20 DBED C[C@@H](NS(C)(=O)=O)C(=O)N1C[C@@H]2CC[C@H](C1)N2CC#N 1753311018 ZQRZBBBRFMVHBA-MXWKQRLJSA-N 300.384 -0.877 30 20 DBED C#CCNC(=O)CN1CC(NC(=O)c2cnc(C)nc2C)C1 1753389830 PTLUICONMLMIBT-UHFFFAOYSA-N 301.350 -0.743 30 20 DBED Cc1ncncc1C(=O)N(C)[C@@H]1CCN(CC(=O)NCC#N)C1 1753429472 ICIYWWDTBZKABP-GFCCVEGCSA-N 316.365 -0.429 30 20 DBED C=CCNC(=O)CN1CC[C@@H](N(CC)C(=O)CN(C)C(C)=O)C1 1753452195 TZODFGOFZUABND-CQSZACIVSA-N 324.425 -0.310 30 20 DBED CC[C@H](CNC(=O)[C@@H]1CCc2nncn2C1)NCC#CCOC 1753498173 VBEUBCUOKJCDBS-ZIAGYGMSSA-N 319.409 -0.025 30 20 DBED C=CCNC(=O)[C@@H](C)NCCN(CC)C(=O)c1cn(C)c(O)n1 1754065083 RHBSEEDGGZNEOW-LLVKDONJSA-N 323.397 -0.132 30 20 DBED C=C(C)CN[C@@H](C)[C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 1754796356 AULOVBDGAVFMTK-UONOGXRCSA-N 308.426 -0.179 30 20 DBED Cn1ccnc1CN1CCOC[C@H]1CNC(=O)CSCC#N 1754963353 FOEVUQWIZQMEOQ-GFCCVEGCSA-N 323.422 -0.006 30 20 DBED C#CCCN[C@]1(CO)CCCN(C(=O)CCc2cn(C)nn2)C1 1755092814 ULVQALVDMUZWGD-MRXNPFEDSA-N 319.409 -0.286 30 20 DBED C[C@H](NCC(=O)NCC#N)[C@H](C)NC(=O)c1cc[n+]([O-])cc1 1755225518 CFKBCXFMRTUQEH-QWRGUYRKSA-N 305.338 -0.944 30 20 DBED N#CCN[C@H](CO)CNC(=O)[C@@H]1COc2cc(F)ccc2C1 1755629699 SLOXUYLMUZCTOE-AAEUAGOBSA-N 307.325 -0.033 30 20 DBED C#CCNC(=O)CN[C@H](CO)CNC(=O)c1cc(C)n(C)c1C 1755646228 LPAGGKDTPHLEJT-ZDUSSCGKSA-N 320.393 -0.928 30 20 DBED C=CCNC(=O)NC(=O)CN[C@H]1C[C@H](C)N(C(=O)COC)C1 1755668587 DRMBIKMHMFUDSN-QWRGUYRKSA-N 312.370 -0.776 30 20 DBED Cc1nocc1C(=O)N1C[C@H](NCC(=O)NCC#N)C[C@@H]1C 1755681599 MYJSEDXSIKHIME-GXSJLCMTSA-N 305.338 -0.185 30 20 DBED C#Cc1ccc(C(=O)N2CCC[C@H]2CN(C)C(=O)C(N)=O)cn1 1755920528 PMXVUINGMPTWQE-ZDUSSCGKSA-N 314.345 -0.389 30 20 DBED C=C(C)C[C@H](C)C(=O)N[C@@H](CO)CNC(=O)CS(C)(=O)=O 1756507441 CCVAUXUSYOADIC-WDEREUQCSA-N 320.411 -0.773 30 20 DBED NC(=O)NCCC(=O)NC[C@@H]1CC[C@@H](NC(=O)C#CC2CC2)C1 1756641624 IYCNMHQBLDZSDC-CHWSQXEVSA-N 320.393 -0.141 30 20 DBED CN(C[C@H](O)CNC(=O)C#CC1CC1)C(=O)C[C@@H]1CCOC1 1756654990 BPJLXBOKSKHPRK-UONOGXRCSA-N 308.378 -0.238 30 20 DBED CC(C)C#CC(=O)N(C)C[C@H](O)CNC(=O)C[C@@H]1COC(=O)C1 1756662364 KOZNTVGSLPQEOH-QWHCGFSZSA-N 324.377 -0.466 30 20 DBED C=CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ncnn1C)CCO2 1783916842 QGIRXCUUNNGVMK-OAHLLOKOSA-N 319.365 -0.165 30 20 DBED C=CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC(=O)NC)[C@H]2C1 1784415297 ALHXXMXMUYKENV-AVGNSLFASA-N 323.393 -0.322 30 20 DBED CN1CC(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CC#N)[C@H]3C2)C1 1786369850 WIQBAEDBJZTMEQ-UBHSHLNASA-N 320.393 -0.559 30 20 DBED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnn(C)c3)C[C@@H]21 1790790940 QAJPKZUZAWETGS-UBHSHLNASA-N 316.361 -0.353 30 20 DBED N#CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CCOCC1)C2 1795083880 ZDCMEXHJWPAYLQ-AGGWBTHJSA-N 321.377 -0.084 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(CC)COC1 1800388011 JAGGMOOCQNGWJT-DABQJJPHSA-N 306.362 -0.364 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc[n+]([O-])c1)C2 1800451231 UBHOQLKJNBXBEA-AGGWBTHJSA-N 315.329 -0.844 30 20 DBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3C[C@@H]3F)C2)C1 1839810119 DXAFZHYHWVPXPJ-HUBLWGQQSA-N 310.325 -0.566 30 20 DBED C#CCCC(=O)N1CC2(CCCN2C(=O)CN2CCNC2=N)C1 1842910518 MQYLHSVLXZQMFQ-UHFFFAOYSA-N 317.393 -0.557 30 20 DBED CC(C)OCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C#CC(=O)O 1847337454 BOIHYDZCGZDUCJ-RYUDHWBXSA-N 308.334 -0.299 30 20 DBED N#CCOC(=O)CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 19469306 NLZGHHWXBFMSEH-UHFFFAOYSA-N 314.279 -0.279 30 20 DBED N#CCSCC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 46043881 DMGMUIYOSMCBFL-UHFFFAOYSA-N 310.379 -0.807 30 20 DBED N#Cc1ccc(S(=O)(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)cc1 268329465 IGOHURDAPXJBAV-JQWIXIFHSA-N 309.347 -0.131 30 20 DBED N#Cc1ccc(S(=O)(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)cn1 268343066 LPDRWJURKFYOAW-KOLCDFICSA-N 310.335 -0.736 30 20 DBED CNC(=O)NC(=O)CN1CCN(c2nccnc2C#N)C[C@@H]1C 268371959 WGNLLUMJFQMAFP-JTQLQIEISA-N 317.353 -0.686 30 20 DBED C=CCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](C(N)=O)C1 282320842 QFCGLNSKALXVKL-SNVBAGLBSA-N 306.370 -0.086 30 20 DBED C=CCCOCCNC(=O)C(=O)NCCS(=O)(=O)CC 287762495 HMCWKJBDYPROKU-UHFFFAOYSA-N 306.384 -0.754 30 20 DBED C[C@@]1(O)CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 290512933 XKZRURBXIGOBDX-CQSZACIVSA-N 323.374 -0.180 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 295756248 HMCCMNFGVGZSOY-KGLIPLIRSA-N 323.393 -0.926 30 20 DBED C[C@H](Nc1c(C#N)c(=O)n(C)c(=O)n1C)[C@@H](C)N1CCOCC1 301210223 UNXOSJHAWXVOGN-WDEREUQCSA-N 321.381 -0.523 30 20 DBED CN1C[C@@H](/C(O)=N/CCN2CCS(=O)(=O)CC2)CC1=O 328769378 IKDZHSPIAPHQBQ-JTQLQIEISA-N 303.384 -0.848 30 20 DBED CC[C@H](O)CN1CCN(S(=O)(=O)N(C)C[C@H](C)C#N)CC1 330370337 FCZWHJWTBNEROG-OLZOCXBDSA-N 318.443 -0.289 30 20 DBED CC(C)/N=C(/O)NC(=O)[C@H](C)N1CCN(C(=O)[C@@H](C)O)CC1 330557138 HLTXBOHNXAMJCK-WDEREUQCSA-N 314.386 -0.662 30 20 DBED CCCS(=O)(=O)CC(=O)N[C@H]1CCN(/C(O)=N/CC)C1 330994943 LRFBDZJIXGYQRK-JTQLQIEISA-N 305.400 -0.064 30 20 DBED CN(CCN1CCCC1)S(=O)(=O)N1CCO[C@H](C#N)C1 337058687 DZSJBHKLFUVUPW-GFCCVEGCSA-N 302.400 -0.517 30 20 DBED COCCN(CCC#N)S(=O)(=O)NCC1(CCO)CC1 337199093 YLWKTNCNDWSTDQ-UHFFFAOYSA-N 305.400 -0.155 30 20 DBED N#CCNC(=O)CNC(=O)Nc1ccc(-n2cnnn2)cc1 348069123 GNZMCVQZPHEKPF-UHFFFAOYSA-N 300.282 -0.576 30 20 DBED N#CC1(NS(=O)(=O)CCCS(N)(=O)=O)CCCCC1 349459596 VBRVARBBPMJYDS-UHFFFAOYSA-N 309.413 -0.189 30 20 DBED COC[C@H](CO)NS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N 352514233 ILVHFTVQLCDBSH-QMMMGPOBSA-N 315.307 -0.248 30 20 DBED CC(C)n1cc(C#N)c(NC(=O)C(=O)NCCCN(C)C)n1 359063889 PLWBFEXHNQHJGH-UHFFFAOYSA-N 306.370 0.342 30 20 DBED Cn1nnc(CNCCS(=O)(=O)c2ccc(C#N)cc2)n1 398100773 SMIDXWFRWYSBTM-UHFFFAOYSA-N 306.351 -0.355 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)NC[C@@H]1CN(C)CCN1C 407974983 HKEKRAASKKMNCY-NWDGAFQWSA-N 303.432 -0.699 30 20 DBED Cc1c(C#N)cccc1NC(=O)C(=O)NC[C@@H](O)CN(C)C 431865969 DANPMZLJDJHDBB-GFCCVEGCSA-N 304.350 -0.156 30 20 DBED COC(=O)[C@H]1CNC(=O)CN1CC(=O)N[C@@](C)(C#N)C(C)C 447907421 RMOAKTNVHAQTPH-YGRLFVJLSA-N 310.354 -0.986 30 20 DBED C#CCN(CC#CC)C(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 490701091 VHNJDZDOBLRRAH-GBOPCIDUSA-N 314.341 -0.366 30 20 DBED C#CCN(C)C(=O)C(=O)Nc1ccc(CC)c(S(N)(=O)=O)c1 491068730 QKANLUADTOFBDL-UHFFFAOYSA-N 323.374 -0.074 30 20 DBED C#CCN1CCN(C(=O)CN2CC[C@H](c3nccn3C)C2)CC1 491773682 SKJLZUNSXCMMCF-HNNXBMFYSA-N 315.421 -0.013 30 20 DBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@@H]1COCCN1C 543746551 SHJYLZRCRDYWRD-LBPRGKRZSA-N 306.370 -0.415 30 20 DBED N#CC[C@@]1(O)CCN(CC(=O)N2CCN(C(=O)C3CC3)CC2)C1 592146119 DKBPCGQXYUZKFG-MRXNPFEDSA-N 320.393 -0.582 30 20 DBED CC(C)[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1cccc(C#N)n1 592290295 CGALSBDRROHYPU-LBPRGKRZSA-N 315.333 -0.125 30 20 DBED CN(C)S(=O)(=O)NCC(=O)N1CCc2cc(C#N)ccc21 597773325 RICVQXWOJJRNEK-UHFFFAOYSA-N 308.363 -0.157 30 20 DBED Cc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H]1COCCN1 599898067 IFFHYASLIHMGJH-LBPRGKRZSA-N 302.334 -0.090 30 20 DBED C[C@@H]1CCN(C(=O)C(=O)N2CCN(CCC#N)CC2)C[C@H]1CO 601510414 CTSQXMVYITZBDW-KGLIPLIRSA-N 322.409 -0.479 30 20 DBED C=CCN(C(=O)CN1CCN(CC)C(=O)C1=O)[C@H](C)COC 617576819 AOIAUKZXQLUIJV-GFCCVEGCSA-N 311.382 -0.273 30 20 DBED C=CCCO[C@H](C)C(=O)N1CCN(S(=O)(=O)N(C)C)CC1 620571577 BDKABRCYPFUNED-GFCCVEGCSA-N 319.427 -0.082 30 20 DBED C=CCNC(=O)CNS(=O)(=O)c1c2c(nn1C)CCCC2 632185694 ITHMNDCQHYFMJY-UHFFFAOYSA-N 312.395 -0.121 30 20 DBED C=CCn1cc(C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)O)nn1 647729788 TZYRNDHDGZBTQK-VIFPVBQESA-N 309.326 -0.485 30 20 DBED CC(C)N(C)CC(=O)NCC#CCNC(=O)CN(C)C(C)C 680340641 LCGIRECKTDSNRL-UHFFFAOYSA-N 310.442 -0.097 30 20 DBED Cn1c(N[C@H]2CCCN(C(=O)O)C2)c(C#N)c(=O)n(C)c1=O 739013978 KHIUQLDUEFQIQB-QMMMGPOBSA-N 307.310 -0.490 30 20 DBED N#CCN(CC(=O)O)S(=O)(=O)c1cccc2c1COC2=O 739087075 UKUPXNJBBFSSHY-UHFFFAOYSA-N 310.287 -0.044 30 20 DBED C#CCNC(=O)COC(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 748468274 XWTWAJPCKCPTEW-NUZBWSBOSA-N 316.313 -0.914 30 20 DBED N#CCOc1ccc(CC(=O)NCCC(=O)NC(N)=O)cc1 758299553 UBMJILMWOQRLOI-UHFFFAOYSA-N 304.306 -0.167 30 20 DBED C#CCCCNC(=O)C(=O)Nc1cnc(OC)c(C(N)=O)c1 762460593 NKVFTIXKHAOVPI-UHFFFAOYSA-N 304.306 -0.343 30 20 DBED C=CCOC[C@@H](NC(=O)C[C@@H]1SC(=N)NC1=O)C(=O)OC 797761680 IGFSTDBKVUUJMT-SFYZADRCSA-N 315.351 -0.597 30 20 DBED C#CCC[C@H](O)CNS(=O)(=O)c1csnc1C(=O)OC 798487544 TXVVWLHQCACJAI-QMMMGPOBSA-N 318.376 -0.018 30 20 DBED N#Cc1ccc(S(=O)(=O)NCC(=O)NN2CCCC2=O)cc1 810854705 KPZZSMQCGBYJRY-UHFFFAOYSA-N 322.346 -0.510 30 20 DBED CCNC(=O)CN1CCN(C(=O)[C@](C)(C#N)CC(=O)O)CC1 820354285 QYZKYCCTYVHCOW-AWEZNQCLSA-N 310.354 -0.729 30 20 DBED CN1C(=O)CC[C@H](NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1=O 823905949 PDYYJIJTHLAVHL-NEPJUHHUSA-N 319.365 -0.484 30 20 DBED N#Cc1c(-c2nn[nH]n2)nc(N)n1CCN1C[C@@H]2CC[C@H](C1)O2 826382898 ZQUOUWDQSNPNBZ-DTORHVGOSA-N 315.341 -0.620 30 20 DBED O=C(N[C@@H]1CCCN(O)C1=O)c1ccn(CCn2cccn2)n1 848132634 SUMWCCVLJSPOQI-GFCCVEGCSA-N 318.337 -0.110 30 20 DBED C#CCCOC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 858883651 URUCSQLDYMVQBM-GFCCVEGCSA-N 300.380 -0.049 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2CCN(C(=O)c3nc[nH]n3)C2)c1 942370738 SIBOMGMMFHULHX-GFCCVEGCSA-N 310.317 -0.175 30 20 DBED CC#CCN1CC[C@@H](NC(=O)C2CC(=O)NC(=O)C2)[C@@H](C)C1 943547459 HVTQXHKYQZKWKD-WCQYABFASA-N 305.378 -0.111 30 20 DBED C#Cc1cncc(C(=O)N2CC[C@H]2CNC(=O)c2cnn[nH]2)c1 950998660 STSBHLWODAFLCB-LBPRGKRZSA-N 310.317 -0.175 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]1CNC(=O)c1ccc2nnnn2c1 951063772 OEMGHFBFFIHCOH-GXSJLCMTSA-N 313.321 -0.385 30 20 DBED CN(C(=O)c1ncn(C)n1)C1CN(C(=O)c2cc(C#N)c[nH]2)C1 954211364 GAHQFMVSKHDNRG-UHFFFAOYSA-N 313.321 -0.389 30 20 DBED CC(=O)N1CCC[C@@H]1C(=O)N(C)C1CN(C(=O)[C@@H](C)C#N)C1 954560001 JTXIIQNQIWELBP-GXFFZTMASA-N 306.366 -0.174 30 20 DBED C#Cc1ccc(C(=O)N(C)C2CN(C(=O)Cn3nccn3)C2)cn1 954913587 XMGSMJZPJOCXEP-UHFFFAOYSA-N 324.344 -0.363 30 20 DBED Cn1nnc(C(=O)NC2(C)CCN(C(=O)C#CC3CC3)CC2)n1 956453741 SYOJHSRACHFHHZ-UHFFFAOYSA-N 316.365 -0.266 30 20 DBED C=C(Cl)CN1CC(N(CC)C(=O)[C@@H]2CCS(=O)(=O)N2)C1 957402264 SFDYSVNAAJHURJ-NSHDSACASA-N 321.830 -0.037 30 20 DBED CC#CCN1C[C@H](O)[C@H](CNC(=O)c2cn(C)nc2COC)C1 958190550 IRESNMOOAJZHDQ-DOMZBBRYSA-N 320.393 -0.388 30 20 DBED Cc1nc(C)c(C(=O)NC[C@H]2CN(CC#N)C[C@@H]2O)nc1C 958240213 YRCGSKCLKIUPGV-STQMWFEESA-N 303.366 -0.052 30 20 DBED C#CCCN1C[C@H](CNC(=O)c2coc(COC)n2)[C@@H](O)C1 958552125 QFJKTBSRMQEQLZ-AAEUAGOBSA-N 307.350 -0.133 30 20 DBED CC(C)(C)n1nnc(CC(=O)NC2[C@H]3CN(CC#N)C[C@H]23)n1 960071952 HNLQTFZSNUNRFH-UWVGGRQHSA-N 303.370 -0.459 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CN(C(=O)Cn3cccn3)C[C@H]2C1 961009390 CTMYMELNLMUEKL-RWMBFGLXSA-N 301.350 -0.040 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)c3ccon3)C[C@@H]2O)[nH]1 962328766 KAGVMJTZEIZKBF-NEPJUHHUSA-N 315.289 -0.510 30 20 DBED O=C(NC[C@H]1COCCN1C(=O)C#CC1CC1)[C@@H]1CCCO1 964077763 GJTDGANRCJMLMA-KBPBESRZSA-N 306.362 -0.078 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CN(C(=O)Cc3cnc[nH]3)CCO2)C1 965514882 KWHDENZOVKOPIL-NSHDSACASA-N 317.349 -0.448 30 20 DBED C#CCN1CC[C@@H](C)[C@@H](NC(=O)c2cn(CCOC)nn2)C1 966000108 JWKSLMQZBUGOKZ-OLZOCXBDSA-N 305.382 -0.002 30 20 DBED C=CCN1CC[C@H](C)[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C1 966520334 CPHVYTJGRKOZOW-QWHCGFSZSA-N 320.393 -0.440 30 20 DBED CC[C@H](OC)C(=O)N1CCN(C2CN(C(=O)[C@@H](C)C#N)C2)CC1 967198481 MXBCMCWGHLHYTK-JSGCOSHPSA-N 322.409 -0.074 30 20 DBED C#CCN1CC([C@H](C)NC(=O)[C@H]2CN3CC4CC3(CO2)C4)C1 970189373 DQYAHLNDIOOWLS-KKVZTGDRSA-N 303.406 -0.081 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@@H](NCc3nnn(C)n3)C2)nc1 970518580 SEWIASZNTHRSCV-GFCCVEGCSA-N 311.349 -0.409 30 20 DBED C#CCCN1C[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C(C)(C)C1 974682899 YMKRHOUNRJRSHS-QWRGUYRKSA-N 306.366 -0.566 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]2CCN(C(=O)Cn3cnnn3)C[C@@H]21 975548589 ZHMDTNBDQKKFOT-SRVKXCTJSA-N 317.353 -0.718 30 20 DBED C#CCN1C[C@H]2C(CNC(=O)c3coc(S(N)(=O)=O)c3)[C@@H]2C1 978344806 AFNIWWIVWVMLDM-RYUDHWBXSA-N 323.374 -0.532 30 20 DBED CC#CCN1C[C@H]2C(CNC(=O)c3nccnc3C(N)=O)[C@@H]2C1 979054268 HLQNGRRXKKMVJS-RYUDHWBXSA-N 313.361 -0.494 30 20 DBED C=C(Cl)CN(C)[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 980346864 SJBYSONOQFNUFO-SNVBAGLBSA-N 314.773 -0.177 30 20 DBED C=CCN1CCCN(C(=O)[C@@H]2CCN(C)S2(=O)=O)CC1 982165699 QSCVWYGHAWFMAI-LBPRGKRZSA-N 301.412 -0.259 30 20 DBED C#CCN1CCC(C(=O)N2CC(NC(=O)c3cocn3)C2)CC1 990480645 YTZQDFNULSYZQN-UHFFFAOYSA-N 316.361 -0.040 30 20 DBED N#CCN[C@@H]1CCC[C@H]2CN(C(=O)CN3C(=O)CNC3=O)C[C@@H]21 992903751 RXUXMZCPNFUKIR-SDDRHHMPSA-N 319.365 -0.722 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CN[C@H]2CCC(=O)NC2=O)CC1 997622758 DSGSOEDFIUAOOG-JQWIXIFHSA-N 306.366 -0.221 30 20 DBED C=C(C)CNC1CC(N(C)C(=O)c2cn(C)c(=O)n(C)c2=O)C1 999500555 ODEVTROYTNHPRE-UHFFFAOYSA-N 320.393 -0.147 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)c2ccn(C)n2)C1 1000013590 KDERPGMDQXHBJE-YPMHNXCESA-N 304.350 -0.048 30 20 DBED C#CCN[C@H]1CCCN(C(=O)CCn2cc[nH]c(=O)c2=O)C1 1000467276 PVHZVVBOOLWALT-LBPRGKRZSA-N 304.350 -0.860 30 20 DBED C#Cc1ccc(C(=O)N2CC(NC(=O)Cc3cnc[nH]3)C2)cn1 1000562382 OMYRVENCPRKAAZ-UHFFFAOYSA-N 309.329 -0.031 30 20 DBED CCC(=O)N1CC[C@H](C(=O)NCC2CN(C(=O)[C@H](C)C#N)C2)C1 1004365857 JONFKIPKBVCUPM-YPMHNXCESA-N 320.393 -0.021 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CCCN([C@@H]3CCNC3=O)C2)c1 1007029675 PAAJAWUHICNBGB-DGCLKSJQSA-N 301.350 -0.031 30 20 DBED N#CCN1CCC[C@@H](NC(=O)[C@@H]2CCc3nnc(O)n3C2)C1 1007689223 XOTLZUSBJGTHIN-GHMZBOCLSA-N 304.354 -0.350 30 20 DBED CC1(C)CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)[C@H]1COC(=O)N1 1008100212 MZIFINWUNIJRCF-VXGBXAGGSA-N 319.361 -0.139 30 20 DBED CC#CCN1CCC[C@H](NC(=O)[C@H]2CCN(C)S2(=O)=O)C1 1008842148 VKJGBMPHMSBWDR-QWHCGFSZSA-N 313.423 -0.376 30 20 DBED CS(=O)(=O)CC(=O)N1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 1010557468 METRULBNFSOPCY-UHFFFAOYSA-N 324.362 -0.785 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)CN2CCCS2(=O)=O)C1 1014641869 AREIYVSFESGGFO-LBPRGKRZSA-N 301.412 -0.212 30 20 DBED Cn1ncc(C(=O)N2CC3(CCN(C(=O)C#CC4CC4)C3)C2)n1 1019190075 OWVACCFAMPLGPO-UHFFFAOYSA-N 313.361 -0.097 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ncc(F)cc2F)C1 1024506170 LOKUYRFZEHOYPN-AVPPRXQKSA-N 324.287 -0.179 30 20 DBED C=CCN[C@@H]1CC[C@@H]2CN(C(=O)Cn3cnc(C(N)=O)n3)C[C@@H]21 1026268491 BJRXZSCISDRSQG-GRYCIOLGSA-N 318.381 -0.610 30 20 DBED C#CCN[C@@H]1CC[C@H]2CN(C(=O)Cn3nc(C)n(C)c3=O)C[C@@H]21 1026408882 HDSNHWMFEGQXST-MELADBBJSA-N 317.393 -0.650 30 20 DBED C=CCN1CC[C@@H](NC[C@H]2CCN(C(=O)c3cnon3)C2)C1=O 1027130960 LACZOBSBJZZIQD-VXGBXAGGSA-N 319.365 -0.092 30 20 DBED C=C(C)CN1CCC[C@H]1CNC(=O)c1cn(C)c(=O)n(C)c1=O 1028179135 XIXVRPFVZYEZKB-LBPRGKRZSA-N 320.393 -0.146 30 20 DBED N#CCN1CC[C@@H](CNC(=O)[C@H]2CCc3nnnn3CC2)C1 1028816331 CCNSTOGSJQRADA-RYUDHWBXSA-N 303.370 -0.413 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)c3c[nH]nc3C)C2)C1=O 1030768983 ALBQXSVISMGEIU-ZDUSSCGKSA-N 303.366 -0.081 30 20 DBED C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[C@H](OC)CN1C(C)=O 1032541220 IJODJKSZFFAGIH-YHUYYLMFSA-N 319.405 -0.069 30 20 DBED CN(C(=O)CN1CCCS1(=O)=O)[C@@H]1CCN(CC#N)C1 1033132125 QHCBDLFKXNLTKN-LLVKDONJSA-N 300.384 -0.922 30 20 DBED C#CCN1CCO[C@H](CNC(=O)[C@@H]2CCCCS2(=O)=O)C1 1035391161 FQXDXXSHIMYFDR-OLZOCXBDSA-N 314.407 -0.596 30 20 DBED N#CCN1CCO[C@@H](CNC(=O)c2ccc3nc[nH]c3n2)C1 1035411528 KEZBYMPXNFSNML-JTQLQIEISA-N 300.322 -0.088 30 20 DBED CC(C)C(=O)N1CCC[C@H]1C(=O)NC[C@@H]1CN(CC#N)CCO1 1035609556 LOQILCNQUMFDDH-KGLIPLIRSA-N 322.409 -0.026 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2[C@H]3C[C@H]2N(Cc2nnnn2C)C3)cn1 1037687547 RUVSODBIIBEONL-NJZAAPMLSA-N 323.360 -0.411 30 20 DBED N#Cc1ccc(CN2CC[C@H]2CNC(=O)[C@@H]2CNC(=O)N2)s1 1038654084 GVJBPEKCCIBQCY-CABZTGNLSA-N 319.390 -0.008 30 20 DBED C=CCO[C@@H](C)C(=O)NC[C@]1(O)CCN(C(=O)c2nc[nH]n2)C1 1040161972 RJHYFRQJENSYTE-IINYFYTJSA-N 323.353 -0.911 30 20 DBED C[C@H]1[C@@H](N=c2cc[nH]cc2C#N)CCN1C(=O)[C@@H]1CCNC1=O 1040213705 VNFNOQCTLPXIKP-UHTWSYAYSA-N 313.361 -0.087 30 20 DBED C=CC(C)(C)C(=O)NC[C@@]1(O)CCN(C(=O)[C@H]2CCNC2=O)C1 1040490443 ISERRRAWHXBHRY-ZBEGNZNMSA-N 323.393 -0.586 30 20 DBED N#Cc1cnccc1N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCOC2)C1 1040938056 BWUCXJDHLHJTEA-MPKXVKKWSA-N 302.334 -0.345 30 20 DBED N#Cc1cnc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCOC3)C2)cn1 1040938504 HJZLSDXVFJLMRE-YUSALJHKSA-N 303.322 -0.950 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)[C@H]2C[C@@H]2OCC)C1 1041686733 OFXPFHJWNTVUQZ-STQMWFEESA-N 308.378 -0.096 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)Cc2ccon2)C1 1042209547 JOVGVFQJIHQVRV-UHFFFAOYSA-N 305.334 -0.434 30 20 DBED C#CCN1CC[C@H]2CCN(C(=O)CN3C(=O)CN(C)C3=O)C[C@H]21 1042345238 KFCLMGCMQWMWES-QWHCGFSZSA-N 318.377 -0.564 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCO[C@@H]2C)C1 1042800026 ZKIGYACRRUCZPY-CHWSQXEVSA-N 308.378 -0.096 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(O)CN(C(=O)c2ccn(C)c2)C1 1042805869 AFFIWLXQCYHJFA-OAHLLOKOSA-N 321.377 -0.345 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)c2nccc(C)n2)C1 1042837242 KLAUQSVGCIKWTO-UHFFFAOYSA-N 316.361 -0.108 30 20 DBED O=C(C#CC1CC1)NCC1(O)CN(C(=O)CC2CCOCC2)C1 1042959020 SWTITLNBYREVKQ-UHFFFAOYSA-N 320.389 -0.094 30 20 DBED C=CCCOCC(=O)NCC1(O)CN(C(=O)c2cncn2C)C1 1043571763 SLVHHYWPFIJZMV-UHFFFAOYSA-N 322.365 -0.684 30 20 DBED C[C@@H]1C[C@@H](NCC#N)CCN1C(=O)CN1CCC(=O)NC1=O 1044811981 AINHMAMGJRUOFT-MNOVXSKESA-N 307.354 -0.579 30 20 DBED CC#CCCCC(=O)NCC1(O)CN(C(=O)c2cccnn2)C1 1044994328 PRGAGQTXIOENCT-UHFFFAOYSA-N 316.361 -0.027 30 20 DBED Cc1cnccc1C(=O)N1CC(O)(CNC(=O)[C@@H](C)C#N)C1 1045539973 BMMRETPQXOCHED-JTQLQIEISA-N 302.334 -0.147 30 20 DBED C=C1CC(C)(C(=O)NCC2(O)CN(C(=O)[C@H]3COCCO3)C2)C1 1046300757 AMUVQTUYMCPGHU-GFCCVEGCSA-N 324.377 -0.552 30 20 DBED N#Cc1nc(=N[C@H]2C[C@H](CNC(=O)[C@@H]3[C@H]4COC[C@H]43)C2)cc[nH]1 1046976239 GUXQTCKWYDJWKU-ZODDKARTSA-N 313.361 -0.031 30 20 DBED C#CCCCC(=O)N1C[C@H]2C[C@H](NC(=O)CNC(N)=O)C[C@H]1C2 1047302612 BPXOORYAJQIXIG-RWMBFGLXSA-N 320.393 -0.046 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccnc3c2CC(=O)N3)C1 1047441592 IYJCWQSURJNQCR-STQMWFEESA-N 314.345 -0.674 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCS(=O)(=O)C2)C1 1047550125 PXLVMZJMGJQUEQ-AGIUHOORSA-N 316.423 -0.499 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)NC(C)=O)C1 1048135935 KBALQPMMBODLAC-DRZSPHRISA-N 311.382 -0.493 30 20 DBED N#CCN1CCOC[C@@H]1CNC(=O)c1cnc2nccn2c1 1051028844 ZLYJSAGJJZUARG-LBPRGKRZSA-N 300.322 -0.317 30 20 DBED CC#CCN1CCOC[C@H]1CNC(=O)c1cccc(=O)n1C 1051102981 CZSREFQHJREMSC-CYBMUJFWSA-N 303.362 -0.161 30 20 DBED CC#CCN1CCN([C@H]2CCN(C(=O)c3ncn(C)n3)C2)CC1 1052021814 GDECQWPFHDALRJ-AWEZNQCLSA-N 316.409 -0.330 30 20 DBED C#CCOCCC(=O)N1C[C@H](CNC(=O)c2nc[nH]n2)[C@@H](C)C1 1052599865 QDRHQAFSNQNMJS-RYUDHWBXSA-N 319.365 -0.331 30 20 DBED C=C(Br)CN1CC2(C[C@H](NC(=O)C(N)=O)CO2)C1 1053911863 OLALELYLFKSBEV-QMMMGPOBSA-N 318.171 -0.660 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)c3ccc(C(N)=O)[nH]3)CO2)C1 1053926618 JVDXTAICMPINTE-JTQLQIEISA-N 302.334 -0.680 30 20 DBED COC[C@@H](OC)C(=O)N1C[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2C1 1055332078 JCHZACUQDJMNDB-QLFBSQMISA-N 320.389 -0.022 30 20 DBED CC(C)C#CC(=O)N1CCC[C@@](CO)(NC(=O)c2cnon2)C1 1056070673 KXUPCSVJQWRPOM-OAHLLOKOSA-N 320.349 -0.188 30 20 DBED C#CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)c1cnccn1 1056835138 HXKDIFKWTBEJEW-LBPRGKRZSA-N 320.349 -0.934 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCN(CCO)C(=O)[C@@H]1CCCO1 1056894040 HHSQADMAWQOGRL-SWLSCSKDSA-N 314.382 -0.570 30 20 DBED CN(c1cncc(C#N)n1)[C@@H]1CCN(C(=O)c2cnn(C)n2)C1 1056938925 OSDMMJOMUGACJM-LLVKDONJSA-N 312.337 -0.172 30 20 DBED C=CCCOCC(=O)NCCN(CCO)C(=O)[C@H](C)OC 1057114246 KIGBEKYCQQZLBX-LBPRGKRZSA-N 302.371 -0.449 30 20 DBED O=C(Cc1cccnc1)NCCN(CCO)C(=O)C#CC1CC1 1057531175 HSOWIWXXDYFMID-UHFFFAOYSA-N 315.373 -0.025 30 20 DBED C#CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)c1nc(C)c[nH]1 1057585032 UVNVGNAUXLDRQW-LBPRGKRZSA-N 322.365 -0.693 30 20 DBED N#Cc1nccnc1N[C@@H]1CCCN(C(=O)Cn2ncnn2)C1 1057697243 BIHIRYSGNUYPCQ-SNVBAGLBSA-N 313.325 -0.562 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)CCc1cnc[nH]1 1057901080 FYASDCDMTOODIW-LLVKDONJSA-N 307.354 -0.561 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)Cc1cncn1C 1058159314 DRNAQWBXDXIZEA-UHFFFAOYSA-N 320.393 -0.297 30 20 DBED CN1CC[C@@H](C(=O)N[C@H]2CCN(c3nccnc3C#N)C2)C1 1058373412 HWOHBOUBXGYGNT-NEPJUHHUSA-N 300.366 -0.005 30 20 DBED COCc1nc(C(=O)N(CCO)CCNC(=O)[C@H](C)C#N)co1 1058668360 WTYXSALGKKFURO-SNVBAGLBSA-N 324.337 -0.469 30 20 DBED CC(=O)N1CC(C(=O)N[C@H]2C[C@@H](N=c3cc[nH]c(C#N)n3)C2)C1 1059616037 TUOZBNUVGYJTPV-TXEJJXNPSA-N 314.349 -0.692 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCOC[C@H]1CNC(=O)COC 1061195151 GGKSVLDXUOXXSY-BXUZGUMPSA-N 300.355 -0.697 30 20 DBED C#Cc1ccc(C(=O)N2CCOC[C@H]2CNC(=O)COC)nc1 1061199920 PWWPPZMVQQDIKB-CYBMUJFWSA-N 317.345 -0.334 30 20 DBED C=CCOCC(=O)N1CCOC[C@H]1CNC(=O)c1cnn(C)c1 1061273655 NNFFZZXQYDKSEN-CYBMUJFWSA-N 322.365 -0.420 30 20 DBED O=C(Cc1cc[nH]n1)NC[C@H]1COCCN1C(=O)C#CC1CC1 1061457373 DSXLPPYRPWJTTE-AWEZNQCLSA-N 316.361 -0.291 30 20 DBED C=CC(C)(C)C(=O)NC[C@@H]1COCCN1C(=O)CNC(N)=O 1061751710 AQNFTAYPOFABTM-SNVBAGLBSA-N 312.370 -0.790 30 20 DBED C=CCOCC(=O)NC1(CNC(=O)c2cnn(C)c2N)CCC1 1062836691 RJPQFIZBOHWYBC-UHFFFAOYSA-N 321.381 -0.026 30 20 DBED C[C@@H](Nc1nccnc1C#N)[C@@H]1CCCN(C(=O)C(N)=O)C1 1063904767 PQUNARPGAGCMQB-NXEZZACHSA-N 302.338 -0.127 30 20 DBED C=CCCC(=O)N1CCO[C@H](CNC(=O)[C@H]2CCC(=O)NC2)C1 1064959807 NWCBGQOQAVELQU-QWHCGFSZSA-N 323.393 -0.178 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CN(C(=O)c2nccnc2N)CCO1 1064994056 XLZWCGAGVNQADI-VHSXEESVSA-N 318.337 -0.824 30 20 DBED N#Cc1cnc(NC[C@@H]2CCCN2C(=O)[C@H]2CNC(=O)N2)cn1 1064997505 ATSGFACGBFJKFD-WDEREUQCSA-N 315.337 -0.567 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCO[C@H](CNC(=O)COCC)C1 1065279037 SNHUSAPMBOCBDD-QWHCGFSZSA-N 314.382 -0.042 30 20 DBED Cc1nonc1CC(=O)NC[C@@H]1CN(C(=O)[C@@H](C)C#N)CCO1 1065557459 REMQODQZPPSPRK-GXSJLCMTSA-N 321.337 -0.576 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC[C@@H](NC(=O)c2nc[nH]n2)CC1 1066389480 FGLFHJNLEHNOLB-VXGBXAGGSA-N 319.365 -0.046 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](CNC(=O)c3ccon3)C2)nn1 1067653676 NFIMSWAUZCWAFR-BXKDBHETSA-N 314.305 -0.437 30 20 DBED Cn1cnc(C(=O)NCC2[C@H]3CN(c4cnc(C#N)cn4)C[C@H]23)n1 1068170975 PWWPZKNYPSUTMV-VXGBXAGGSA-N 324.348 -0.411 30 20 DBED CN(C(=O)Cn1cnnn1)C1CC(N=c2cc[nH]cc2C#N)C1 1069710123 DCKBJRQQLDBQBK-UHFFFAOYSA-N 312.337 -0.537 30 20 DBED C#CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2ccon2)C1 1069899879 BZSHMDJUGHDFFW-OLZOCXBDSA-N 300.322 -0.055 30 20 DBED C=CCN[C@@H]1CN(C(=O)c2cc[n+]([O-])cc2)C[C@@H]1n1ccnn1 1070132169 ODYXXSKMGPINJN-KGLIPLIRSA-N 314.349 -0.247 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@@H](NC(=O)COC(C)C)C1 1070636456 YGDACVVGIOCXKX-CYBMUJFWSA-N 323.393 -0.342 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)Cc2cncnc2)CC1 1070958802 UBQXKLIRCFFOAE-UHFFFAOYSA-N 315.377 -0.697 30 20 DBED C=C(C)CN1CCN([C@H]2CCCN(C(=O)CC(N)=O)C2)C(=O)C1 1071259118 YTCIQYHTCRDFJB-ZDUSSCGKSA-N 322.409 -0.427 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H](C)[C@@H](NC(=O)CCOC)C1 1071937285 ZWDCGIMLZLEJSG-RYUDHWBXSA-N 309.366 -0.875 30 20 DBED C=CCOCC(=O)N[C@H]1CN(C(=O)Cc2n[nH]c(C)n2)C[C@@H]1C 1072062988 JJHUERNJBJCMTC-JQWIXIFHSA-N 321.381 -0.179 30 20 DBED C#CCCN1CCCO[C@H](CNC(=O)[C@@H]2CCC(=O)NC2)C1 1073670116 DGQUYABQCBAPSK-ZIAGYGMSSA-N 307.394 -0.257 30 20 DBED N#CCN1CCCO[C@@H](CNC(=O)[C@@H]2CCc3nn[nH]c3C2)C1 1073859302 HALPYRVFPAZLSW-NEPJUHHUSA-N 318.381 -0.360 30 20 DBED C=CCOCC(=O)N1CC[C@@H](NC(=O)Cn2ncnn2)[C@@H](C)C1 1073976731 FVRLLZQDECOGTC-NWDGAFQWSA-N 322.369 -0.771 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@@H]3OCCN(CC(N)=O)[C@@H]3C2)c1 1074205660 VQPONZVUKVUXQI-OLZOCXBDSA-N 317.349 -0.713 30 20 DBED C#CCOCCC(=O)N1C[C@H]2CCN(C(=O)C(N)=O)CC[C@H]2C1 1074360326 TXICHKCGSYLQBW-BETUJISGSA-N 321.377 -0.791 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](NC(=O)COCC)C[C@@H]1C 1074791899 NTWWNPVKGOJKOS-QWHCGFSZSA-N 323.393 -0.342 30 20 DBED CC(=O)N[C@H](C)C(=O)N[C@@H](C)CCNC(=O)CSCC#N 1075675701 KJVBGZJUKRHOJD-VHSXEESVSA-N 314.411 -0.221 30 20 DBED C#CCOCCC(=O)NCC[C@H](C)NC(=O)c1cnc(O)n1C 1076507573 MKWVHAVKKNWTOM-NSHDSACASA-N 322.365 -0.210 30 20 DBED C#CCO[C@H](C)C(=O)NCC[C@H](C)NC(=O)c1cn(C)c(O)n1 1076508907 ISFMJTZSBPXWJB-WDEREUQCSA-N 322.365 -0.211 30 20 DBED C#CCOCCC(=O)N(CC)C1CN(C(=O)CCNC(N)=O)C1 1079773575 QCXNJZQROSNXKQ-UHFFFAOYSA-N 324.381 -0.856 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CO)(NC(=O)c2cncn2C)CC1 1080907411 QBPLHJPMHPYRCY-LLVKDONJSA-N 319.365 -0.337 30 20 DBED N#CCSCC(=O)NC[C@H]1CN(C(=O)c2cnco2)C[C@@H]1O 1081288448 DBPZJQGXIDCZLJ-UWVGGRQHSA-N 324.362 -0.520 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)Cc2cncn2C)C[C@@H]1O 1081336044 SHFPNGWNQHLMHK-JSGCOSHPSA-N 320.393 -0.136 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2n[nH]cc2C)C[C@H]1O 1081346587 KAGQXCPSXGIIBM-NWDGAFQWSA-N 322.365 -0.530 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](O)[C@H](CNC(=O)Cc2cnoc2)C1 1081680115 SNYDHRGMTOPVCU-ZIAGYGMSSA-N 319.361 -0.188 30 20 DBED C=CCCCC(=O)NC[C@H]1CN(C(=O)CC(=O)NC)C[C@@H]1O 1081703729 UFZYOLTXXIORBU-RYUDHWBXSA-N 311.382 -0.586 30 20 DBED C=C1CC(C)(C(=O)NC[C@@H]2CN(C(=O)CNC(C)=O)C[C@H]2O)C1 1081752341 IBJUKHJJHCTQJC-CHWSQXEVSA-N 323.393 -0.586 30 20 DBED C#CCN1C[C@@H](NC(=O)c2ccc(=O)n(CCC)n2)[C@H](OC)C1 1082365794 VRJYRDBMMRQJRY-ZIAGYGMSSA-N 318.377 -0.285 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](NCCN2C(=O)CNC2=O)[C@H](C)C1 1082451045 OOWJFJUBLQGARR-HBNTYKKESA-N 307.354 -0.866 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2COCCN2CC2CCC2)C1 1083670467 BJHPYYPWPLBZSS-ILXRZTDVSA-N 322.409 -0.828 30 20 DBED Cn1nnnc1CN1CC[C@@H]2CN(C(=O)C#CC3CC3)[C@@H]2C1 1084333348 ONTYHNRWXRKBNP-CHWSQXEVSA-N 300.366 -0.344 30 20 DBED C#CCCN1CC[C@@H]2CN(C(=O)[C@H]3CCS(=O)(=O)N3)[C@@H]2C1 1084838316 DILNKZZKPUUNCI-JHJVBQTASA-N 311.407 -0.766 30 20 DBED N#CCN[C@@H]1CC[C@H](CNC(=O)C2CC3(C2)NC(=O)NC3=O)C1 1086824908 GPCYLKZENRUKRU-BFVXHGPNSA-N 319.365 -0.627 30 20 DBED CN1CCC[C@H]1C(=O)N1C[C@@H](NCC#N)[C@H](c2cnn(C)c2)C1 1086971042 UUOKAFOUPPVLEZ-ZNMIVQPWSA-N 316.409 -0.078 30 20 DBED C#CCN1C[C@H](NC(=O)[C@H]2CNC(=O)N2)CC2(CCOCC2)C1 1089953733 YISYANUVVJYSKS-CHWSQXEVSA-N 320.393 -0.712 30 20 DBED CC(C)(C)n1nnc(CC(=O)N[C@@H]2CCN(CC#N)C[C@H]2O)n1 1090294117 XBORSYPIDYWJTC-GHMZBOCLSA-N 321.385 -0.954 30 20 DBED C=CCN1CC[C@@H](NC(=O)c2cnc3c(c2)nnn3C)[C@@H](O)C1 1090442267 RMSMCZKECNAAJX-YPMHNXCESA-N 316.365 -0.286 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)Cn2ccccc2=O)[C@@H](O)C1 1090797959 IZAMHGLZBJCJFX-KBPBESRZSA-N 305.378 -0.024 30 20 DBED C=CCCN1CC[C@@H](NC(=O)c2ccc(C(N)=O)cn2)[C@H](O)C1 1090844814 UKJHCDVTLRKSIS-TZMCWYRMSA-N 318.377 -0.078 30 20 DBED C[C@@H]1CN(c2nccn3nnnc23)C[C@H]1CNC(=O)[C@H](C)C#N 1092336693 REGOIKKYMHLSQI-GMTAPVOTSA-N 314.353 -0.133 30 20 DBED N#Cc1nc(=NCCNC(=O)[C@@H]2CN3CCC[C@H]3CO2)cc[nH]1 1094203470 TYQODIMAHSOKJB-RYUDHWBXSA-N 316.365 -0.839 30 20 DBED CN(c1ccc(C#N)nc1)[C@@H]1CCN(C(=O)CNC(N)=O)C1 1095091807 VOOAZBYWYRUGJZ-GFCCVEGCSA-N 302.338 -0.341 30 20 DBED CC(C)(C(N)=O)C(=O)N[C@H]1CCCN(c2cnc(C#N)cn2)C1 1096211799 LCZXXFVEAJLRGE-JTQLQIEISA-N 316.365 -0.055 30 20 DBED CC(=O)N[C@@H](C)C(=O)N1CC[C@H](Nc2ccc(C#N)nn2)C1 1096913284 CLDRXNCBRQSKPI-CABZTGNLSA-N 302.338 -0.114 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1CCN(C(=O)CNC(=O)C2CC2)C1 1096916987 ALUHXNDYMACOJO-ZDUSSCGKSA-N 313.361 -0.086 30 20 DBED C[C@H](CC(N)=O)C(=O)N[C@H]1C[C@@H](Nc2ccc(C#N)nn2)C1 1097240740 SAYNCCXYWVUJDV-IEBDPFPHSA-N 302.338 -0.081 30 20 DBED C[C@@H](NC(=O)CC(N)=O)[C@@H]1CCCN(c2ccnc(C#N)n2)C1 1097515380 NQWHORJAJYVKFC-GHMZBOCLSA-N 316.365 -0.055 30 20 DBED CCN1CCO[C@H](C(=O)NC[C@@H](C)N=c2cc[nH]c(C#N)n2)C1 1097876117 ZNPKYVWGHYZPLC-NEPJUHHUSA-N 318.381 -0.593 30 20 DBED CC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C1CC(=O)NC(=O)C1 1098031044 SNSVVFBDHKAYFP-UPJWGTAASA-N 303.362 -0.216 30 20 DBED C[C@@H](CNC(=O)c1cccn2nnnc12)N=c1cc[nH]c(C#N)n1 1098081344 IDODVRARSXLPKV-VIFPVBQESA-N 323.320 -0.562 30 20 DBED C=CCn1cc(C(=O)NC[C@H](C)N=c2cc[nH]c(C#N)n2)nn1 1098310372 GZYBFVJHIVCOQP-JTQLQIEISA-N 312.337 -0.222 30 20 DBED N#CCN(CCO)C1CCN(C(=O)[C@H]2CC[C@@H]2C(N)=O)CC1 1098447757 WFWOWTRKOVUNRO-STQMWFEESA-N 308.382 -0.693 30 20 DBED C#CCNCc1cn([C@@H]2CCN(C(=O)c3ncn(C)n3)C2)nn1 1098666617 BUTZPEDRXJTEDH-GFCCVEGCSA-N 314.353 -0.783 30 20 DBED C[C@@H](CCNC(=O)Cn1cncn1)Nc1ccc(C#N)nn1 1099147240 MXEWWNCVXJEGMU-JTQLQIEISA-N 300.326 -0.053 30 20 DBED N#CCNC(=O)CN1CC[C@H](NC(=O)c2ccsc2)[C@H](O)C1 1099650219 BMSLFGRVTIIWLV-NWDGAFQWSA-N 322.390 -0.447 30 20 DBED C[C@H](CCNC(=O)[C@@H]1CC(=O)N(C)C1)N=c1cc[nH]c(C#N)n1 1099748520 YHQDRGIPSGLDRI-GHMZBOCLSA-N 316.365 -0.445 30 20 DBED C#CCCCCC(=O)N[C@H]1CCN(CC(=O)NCC#C)C[C@@H]1O 1099786987 SOLKIIJZWSOFGC-GJZGRUSLSA-N 319.405 -0.519 30 20 DBED Cc1cocc1C(=O)N[C@@H]1CCN(CC(=O)NCC#N)C[C@@H]1O 1099949945 WPQNMZSNLRPECA-OLZOCXBDSA-N 320.349 -0.607 30 20 DBED CC#CCN1CC[C@H](NC(=O)C2(C(=O)N(C)C)CC2)[C@H](O)C1 1100071950 MPUYUQUUCPSIAM-QWHCGFSZSA-N 307.394 -0.571 30 20 DBED C#CCN1CC[C@H](NC(=O)CS(=O)(=O)C(C)(C)C)[C@H](O)C1 1100077178 YJKMFIIDNSGWTB-NWDGAFQWSA-N 316.423 -0.616 30 20 DBED C[C@@H]1C[C@@H](C(=O)NCCN(C)c2ccnc(C#N)n2)CC(=O)N1 1100211295 JJRCYSSIPWHPDL-GHMZBOCLSA-N 316.365 -0.185 30 20 DBED Cc1ccc(C#N)c(N(C)CCNC(=O)c2nnn(C)n2)n1 1100264222 DTVFDYPNCZPHQH-UHFFFAOYSA-N 300.326 -0.349 30 20 DBED CCN(CCNC(=O)[C@H](C)NC(N)=O)c1cnc(C#N)cn1 1100501093 UKPWFZQICNPWEL-VIFPVBQESA-N 305.342 -0.652 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCC1CC(NCC(=O)NCC#N)C1 1100689582 HYRHZXSKNRVPGW-PQAZSJQKSA-N 320.393 -0.298 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CC(CNC(=O)c2ccn(C)n2)C1 1100982626 ZTMJTDYHVDPDGC-PNESKVBLSA-N 317.393 -0.344 30 20 DBED N#Cc1nccnc1N1CC[C@H](CNC(=O)Cn2nccn2)C1 1101019673 ULPBXCXABGSRLV-LLVKDONJSA-N 312.337 -0.418 30 20 DBED COCC#CCN1C[C@@H]2CN(C(=O)Cc3nc[nH]n3)C[C@]2(C)C1 1101424298 HJESSNSXMBJPKP-CJNGLKHVSA-N 317.393 -0.223 30 20 DBED CCC(=O)N[C@@H](C)C(=O)NC[C@@H](C)CN=c1cc[nH]c(C#N)n1 1104247974 QSKQFNHJLZQWNP-QWRGUYRKSA-N 318.381 -0.151 30 20 DBED CN(CCN(C)c1ccc(C#N)nc1)C(=O)[C@H]1CCNC1=O 1105534682 BXYPWBPOTYPTLZ-ZDUSSCGKSA-N 301.350 -0.016 30 20 DBED N#Cc1cnc(NC[C@H](O)CNC(=O)c2cnsn2)cn1 1105722908 BSTACXXYOOCFRE-QMMMGPOBSA-N 305.323 -0.597 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H](O)CNC(=O)c1ccnc(O)c1 1105819285 XELWDNJANHPEAY-LBPRGKRZSA-N 313.317 -0.321 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@@H]1CN(C(=O)c2cc[nH]n2)C[C@H]1C 1105846327 RNJBWPQIEUZWDA-FRRDWIJNSA-N 317.393 -0.155 30 20 DBED N#Cc1cnc(NC[C@@H](O)CNC(=O)CN2CCCC2)cn1 1105856195 PJRWYJQSBSYWLG-GFCCVEGCSA-N 304.354 -0.667 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H](O)CNc1nccc(OC)n1 1105970146 AZZXXUVQNYKLPC-QWRGUYRKSA-N 308.338 -0.588 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H](O)CNc1cc(OCC)ncn1 1105970996 QTERIZKZVRBMOE-NEPJUHHUSA-N 322.365 -0.197 30 20 DBED N#Cc1sc(NC[C@H](O)CNC(=O)C(N)=O)nc1Cl 1106077698 PJAPBHZDHKAMBJ-SCSAIBSYSA-N 303.731 -0.958 30 20 DBED CC[C@@H](C(=O)NCc1cn(C2CN(CC#N)C2)nn1)N(C)C 1107211954 HMSYFXTWIVWLOT-ZDUSSCGKSA-N 305.386 -0.385 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)c2cnc3n2CCOC3)C1 1108007657 CTJKJORXHLDNFQ-INIZCTEOSA-N 318.377 -0.133 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)CO[C@@H]1CCOC1 1108546786 GAJOBZXAERIMBE-WDEREUQCSA-N 305.338 -0.508 30 20 DBED N#CCN1CC(N2C[C@@H](NC(=O)CCn3ccnc3)CC2=O)C1 1108559216 PQSXYNYCNOTZTI-LBPRGKRZSA-N 316.365 -0.802 30 20 DBED C=CCCCC(=O)N[C@@H]1CC(=O)N(C2CN([C@H](C)C(N)=O)C2)C1 1108568151 LETAWBNKHZUFHA-VXGBXAGGSA-N 322.409 -0.382 30 20 DBED C[C@@H](CN(C)c1nccnc1C#N)NC(=O)[C@@H](C)CC(N)=O 1109205940 QROGXDCBVSELBE-UWVGGRQHSA-N 304.354 -0.199 30 20 DBED CN(CCCN=c1cc[nH]c(C#N)n1)C(=O)CCn1cncn1 1109391498 KNLYJHRPDDRAPL-UHFFFAOYSA-N 314.353 -0.288 30 20 DBED CC(=O)N(C)CC(=O)N[C@@H]1[C@H]2C[C@H]1N(c1nccnc1C#N)C2 1109682537 HOZXWVVSURNXSA-ZKYQVNSYSA-N 314.349 -0.480 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCCOC 1110325713 HYGZBIFJPZXGHO-MCIONIFRSA-N 307.394 -0.116 30 20 DBED C[C@]1(CNC(=O)CC(N)=O)CCCN(c2cnc(C#N)cn2)C1 1110919352 DGLXOWMUQJIOHS-OAHLLOKOSA-N 316.365 -0.054 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCN(C)CC 1111230527 PFTUQDLBCJZWJQ-KFWWJZLASA-N 320.437 -0.201 30 20 DBED C=CCCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CS(=O)(=O)NC 1111418958 SDWRXFFHMLDJSV-UTUOFQBUSA-N 301.412 -0.167 30 20 DBED C[C@H]1CN(c2ncccc2C#N)CC[C@@H]1NC(=O)CNC(N)=O 1112393307 QUODZLSCAZUDLA-JQWIXIFHSA-N 316.365 -0.047 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)c2cccc(O)n2)CC1 1112745592 ZITIBGNFMIRVDC-UHFFFAOYSA-N 303.322 -0.815 30 20 DBED C[C@H](NC(N)=O)C(=O)NC1CC(CNc2ccc(C#N)nn2)C1 1112835134 QEBFNEKQRQGQMV-SILCLGDVSA-N 317.353 -0.288 30 20 DBED C[C@@H](CNC(=O)Cn1cnnc1O)N(C)c1cnc(C#N)cn1 1113568130 AMTWZHFJAJSUBT-VIFPVBQESA-N 316.325 -0.714 30 20 DBED C[C@H](CNC(=O)Cc1nc[nH]n1)N(C)c1nccnc1C#N 1113714585 NDYKQANDBUGVAR-SECBINFHSA-N 300.326 -0.350 30 20 DBED N#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)CCc3ccco3)[C@H]2C1 1113852462 KROOPODSYIBUNF-VIKVFOODSA-N 316.361 -0.102 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)Cn3cccn3)[C@H]2C1 1113854349 GTCNFGZWBBSDKC-AVGNSLFASA-N 317.393 -0.380 30 20 DBED C[C@H]1CCN(c2cnc(C#N)cn2)C[C@H]1NC(=O)CNC(N)=O 1113996911 BVQMCIVULCHRMD-GXSJLCMTSA-N 317.353 -0.652 30 20 DBED CCCNC(=O)NC(=O)CN1C[C@H]2[C@H](NC(=O)[C@@H](C)C#N)[C@H]2C1 1114066756 HUQOHNWUSJMIHU-MEWQQHAOSA-N 321.381 -0.572 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)c3ocnc3C)[C@H]2C1 1114104157 XFVQWANKBUIJAS-NDBYEHHHSA-N 316.361 -0.219 30 20 DBED N#Cc1nccnc1N1CCCCC[C@H]1CNC(=O)C(N)=O 1114377543 LIPCLIBEQCQVHR-JTQLQIEISA-N 302.338 -0.301 30 20 DBED C=CCOCCN1C[C@@H]2C(NC(=O)[C@@H]3CCC(=O)N3C)[C@H]2C1 1114696380 VIQLSCYUJBDPOF-AVGNSLFASA-N 307.394 -0.144 30 20 DBED C=CCCCN1C[C@@H]2C(NC(=O)CN3CC(=O)NC3=O)[C@H]2C1 1114986449 FIGITRZFPXGKKY-QWRGUYRKSA-N 306.366 -0.449 30 20 DBED C[C@@H](CN(C)C(=O)[C@@H]1COCCN1C)N=c1cc[nH]cc1C#N 1115682534 QSWMDQSQZKVBGI-WFASDCNBSA-N 317.393 -0.035 30 20 DBED C#CCOc1ccccc1CNC(=O)C(=O)N[C@H]1CCNC1 1118549024 USJCURYIXZGDHM-ZDUSSCGKSA-N 301.346 -0.207 30 20 DBED Cc1nsc(N[C@@H](CO)CNC(=O)c2cn(C)nn2)c1C#N 1121433028 SCINIQDRSIURRN-MRVPVSSYSA-N 321.366 -0.346 30 20 DBED CO[C@H](C(=O)NC[C@@H](CO)N=c1cc[nH]cc1C#N)C1CC1 1121505437 LQIKVXLBOJULPP-JSGCOSHPSA-N 304.350 -0.311 30 20 DBED C=CCn1c(N2CC(=O)N(C)C[C@H]2C)nnc1[C@](C)(O)COC 1121577639 WGZPGXZGSOGLDN-IAQYHMDHSA-N 323.397 -0.015 30 20 DBED Cc1nsc(N[C@H](CO)CNC(=O)[C@@H]2CCC(=O)N2)c1C#N 1121820061 XNCFAKNRPUABTD-WPRPVWTQSA-N 323.378 -0.509 30 20 DBED N#Cc1nc(=N[C@H](CO)CNC(=O)C2(F)CCCC2)cc[nH]1 1122206435 JBDUUEDGSBSBQF-JTQLQIEISA-N 307.329 -0.059 30 20 DBED N#Cc1nccnc1N[C@H](CO)CNC(=O)[C@]1(F)CCOC1 1122412205 WTPKSWPYXVOORY-ZANVPECISA-N 309.301 -0.634 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)[C@@H](C)OC 1124281286 DGCHBONASQJTJV-VHSXEESVSA-N 300.359 -0.873 30 20 DBED CC(C)[C@@H](O)C(=O)N(C)C[C@H](O)CNc1ccc(C#N)nn1 1124295871 OJSXRXMNKDOJKZ-DGCLKSJQSA-N 307.354 -0.404 30 20 DBED CC[C@H](C(=O)N(C)C[C@H](O)CNc1cncc(C#N)n1)N(C)C 1124453930 INKAWODOADUFBR-CHWSQXEVSA-N 320.397 -0.080 30 20 DBED C#CCOCCC(=O)N(C)C[C@@H](O)CNc1cncc(C#N)n1 1124518569 AJNVWLOJIKNGDS-ZDUSSCGKSA-N 317.349 -0.381 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)CCC(=O)NCC)C1=O 1124726557 GFAWPWRDNUNLLI-LBPRGKRZSA-N 310.398 -0.605 30 20 DBED Cc1cc(N2CC[C@@H](NCCNC(=O)[C@@H](C)C#N)C2=O)n(C)n1 1124903954 VBOCJRCNAXDHIV-CMPLNLGQSA-N 318.381 -0.301 30 20 DBED C[C@@H](C#N)C(=O)N(C)C[C@H](O)CN(C)c1cncc(C#N)n1 1124988903 PFVKZHPPMNTFCZ-CMPLNLGQSA-N 302.338 -0.237 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCNCC(=O)Nc1c(C)n[nH]c1C 1126383227 GNNQVEJMQNNQBO-OAHLLOKOSA-N 323.397 -0.002 30 20 DBED COCC(=O)N[C@H](C)C(=O)NCCNCc1ccc(C#N)s1 1127967214 JYPSKEONFFRYDK-SNVBAGLBSA-N 324.406 -0.023 30 20 DBED N#CCSCC(=O)NCc1cnn2c1CN(CCCO)CC2 1128218131 QJJFPHBKYZDCRV-UHFFFAOYSA-N 323.422 -0.046 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1ccnn1C(C)C 1128223824 BMFABQQYYCBBNB-LBPRGKRZSA-N 305.382 -0.079 30 20 DBED COC[C@@H](O)CN1CCn2ncc(CNC(=O)[C@@H](C)C#N)c2C1 1128265036 RXKPVXFLHBSNAN-AAEUAGOBSA-N 321.381 -0.518 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)c1cnc2[nH]cnc2c1 1128432098 MRVGWHQDFCPDQO-SNVBAGLBSA-N 316.365 -0.032 30 20 DBED CN(C)Cc1ccsc1C(=O)NCCNCC(=O)NCC#N 1128551680 FEJULTJOOUQRRW-UHFFFAOYSA-N 323.422 -0.231 30 20 DBED C#CCNC(=O)CNCCNC(=O)Cc1cnn2c1CCCC2 1129900272 DCDOJDUEAZHCKI-UHFFFAOYSA-N 317.393 -0.783 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)COCc1cc(C)no1 1130120616 KDDWOIJQGMZQRA-LBPRGKRZSA-N 324.381 -0.104 30 20 DBED CC(C)C#CC(=O)NCc1nc([C@H]2COCCN2CC#N)n[nH]1 1130843014 OWOPQKQQXGXFSW-GFCCVEGCSA-N 316.365 -0.023 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)c1cncn1C 1130903794 YXNJOVDFZUERMU-SNVBAGLBSA-N 322.369 -0.860 30 20 DBED CC#CCCCC(=O)N1C[C@H]2C[C@@H]3CN(CC(N)=O)C[C@]2(C1)O3 1131258773 DMQHLCXLWUASSI-CKEIUWERSA-N 319.405 -0.033 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)CC(=O)NCC)CC1 1131357417 VKQWPXXASQZDOK-UHFFFAOYSA-N 310.398 -0.651 30 20 DBED CCNC(=O)CC(=O)N[C@H]1CC[C@@H](C)N(CC(=O)NCC#N)C1 1131980574 PDJOEMCYLVJEKC-NEPJUHHUSA-N 323.397 -0.879 30 20 DBED C#CCNC(=O)CN1C[C@H](NC(=O)CC(=O)NCC)CC[C@H]1C 1131985411 WTPJGNPJPQPLEC-CHWSQXEVSA-N 322.409 -0.769 30 20 DBED COCC#CCN1C[C@@H](NC(=O)Cn2nccn2)CC[C@@H]1C 1132060594 IDRIUBCDXZZAFV-KBPBESRZSA-N 305.382 -0.103 30 20 DBED C[C@@H]1CCN(C(=O)Cn2ccc(O)nc2=O)C[C@H]1CNCC#N 1132960447 UWKKWXFTEXKUNI-VXGBXAGGSA-N 319.365 -0.453 30 20 DBED Cc1cn(C)nc1C(=O)N[C@@H](C)C[C@@H](C)NCC(=O)NCC#N 1134335186 ZGFQUEUOKQCDGD-NEPJUHHUSA-N 320.397 -0.145 30 20 DBED C=CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)Cc1n[nH]c(C)n1 1134356192 NVECVYVRBXDQRX-WDEREUQCSA-N 322.413 -0.169 30 20 DBED C=CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)Cn1nccn1 1134461848 NXZZXLLKARHFNS-NWDGAFQWSA-N 308.386 -0.547 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NCCNCC(=O)NCC1CC1 1134812130 FXWVXUMMWQIUDG-AWEZNQCLSA-N 324.425 -0.311 30 20 DBED C=CCNC(=O)CNCCNC(=O)C(=O)N1CCC(C)CC1 1134871019 DSHKYCXAJIZCEV-UHFFFAOYSA-N 310.398 -0.747 30 20 DBED Cc1noc(C)c1[C@@H](C)C(=O)NCCNCC(=O)NCC#N 1135305536 YYCXACKMJZSWDC-SECBINFHSA-N 307.354 -0.259 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)c1ncccn1 1135602505 SAUPDFZUBPXDDQ-UHFFFAOYSA-N 304.354 -0.442 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)Cc1[nH]cnc1C 1136031384 KCNVQAPAYOSHTP-RYUDHWBXSA-N 319.409 -0.117 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1nc2ccccn2c1F 1146615804 BAIMHSMSYBGEOH-UHFFFAOYSA-N 318.312 -0.567 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCC2(CN(C(=O)CC(=O)NC)C2)C1 1147403764 PBJVDOCQVWGZKM-GFCCVEGCSA-N 322.409 -0.653 30 20 DBED C=CCN1CCCO[C@H](CNC(=O)[C@@H](C)NC(=O)COC)C1 1149764800 QIUWLUYBHNDSKR-CHWSQXEVSA-N 313.398 -0.469 30 20 DBED C#CCOCCC(=O)NCCCNCC(=O)NC(=O)NC1CC1 1157859884 ZCLROFCVHMGXEQ-UHFFFAOYSA-N 324.381 -0.890 30 20 DBED C=CCOCCNCCCNC(=O)[C@H](C)N1C(=O)CCC1=O 1159303246 VYFPOTFSSOILFV-LBPRGKRZSA-N 311.382 -0.178 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)C[C@@H]1CCC(=O)NC1 1159771178 ZFQRHACCCBKYFA-OLZOCXBDSA-N 324.425 -0.311 30 20 DBED C#CCN1CCC(CNC(=O)C[C@H]2CCNC2=O)(COC)CC1 1162299998 ARRYXGQLEOOPOP-CQSZACIVSA-N 321.421 -0.009 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@@H](C1CC1)N1CCCC1 1163224111 SGCLUFSQGMUKLG-MRXNPFEDSA-N 320.437 -0.294 30 20 DBED N#CCNC(=O)CNCC1(CCNC(=O)[C@@H]2CCCO2)CC1 1163305256 YTGPJJWAKUFKRW-LBPRGKRZSA-N 308.382 -0.319 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1c(C)cc(C)nc1O 1163557621 NZHSYXOOAPNTIL-UHFFFAOYSA-N 318.377 -0.137 30 20 DBED N#CCNC(=O)CNCCCNC(=O)Cc1ncccc1F 1164579352 BGKXUZWIBLCFCX-UHFFFAOYSA-N 307.329 -0.501 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)c1cnc(OC)nc1 1170084029 VFGZSYTZBXJZPN-NSHDSACASA-N 319.365 -0.667 30 20 DBED N#CCNC(=O)CNCCCNC(=O)c1cnn2c1CCCC2 1170275165 MKUSXEHXGLEZDH-UHFFFAOYSA-N 318.381 -0.431 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)C1(C(=O)N(C)C)CC1 1170755628 HWAFBTOVKBNVSK-GFCCVEGCSA-N 322.409 -0.911 30 20 DBED CN(CC(=O)NCCCCCCNCC#N)S(C)(=O)=O 1178621372 HUASEMCSJRREBS-UHFFFAOYSA-N 304.416 -0.332 30 20 DBED Cc1ncc(CC(=O)N2CC[C@H](NCC(=O)NCC#N)[C@@H]2C)o1 1178877753 HYWRPOYHUCDFCM-GWCFXTLKSA-N 319.365 -0.256 30 20 DBED C=CCCn1cc(C(=O)N2CC[C@@H](NCC(=O)N(C)C)C2)nn1 1186221436 KDWGNVNRWLUEJP-GFCCVEGCSA-N 320.397 -0.254 30 20 DBED C=CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3cn(C)nn3)[C@@H]2C1 1187771923 MXVGCRIZVPQMCO-WCQYABFASA-N 318.381 -0.736 30 20 DBED C=CCN1CC[C@@H](N(C)[C@@H]2CCN(C(=O)CC(=O)NC)C2)C1=O 1189846460 DZSIBVQRWJSUQD-CHWSQXEVSA-N 322.409 -0.558 30 20 DBED Cc1occc1C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1O 1190881113 PJBJXLXMWVZGAN-VXGBXAGGSA-N 306.322 -0.997 30 20 DBED C#CCCN(C)[C@H]1CCN(C(=O)CCCS(N)(=O)=O)C1 1192093901 NWAFHDQXLOGYJQ-LBPRGKRZSA-N 301.412 -0.389 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2conc2C)C1 1192101610 DSAFQJUFFNLDQC-LBPRGKRZSA-N 304.350 -0.121 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)C/C=C(\C)C=C)C1 1195444664 PPWRLQRACWUCTA-XSKCSMHKSA-N 319.405 -0.192 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)CCCC=C)C1 1195724843 DWKPZHUHMJMENN-BFHYXJOUSA-N 307.394 -0.358 30 20 DBED C=C[C@@](C)(CC)C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[nH]2)C[C@H]1O 1195932191 ICZUABOHTACGTG-HFAKWTLXSA-N 323.397 -0.628 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)CCc2nc3cnccc3[nH]2)C1 1197551256 GSVQTFACNXKYPL-ZIAGYGMSSA-N 313.361 -0.315 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)CNC(=O)c2cccc(F)c2)C1 1198359760 XTJDGKMCSBDJQU-CHWSQXEVSA-N 320.324 -0.760 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)[C@H](O)C(C)C)CCCO1 1200410914 FXHHEZRETLPMJD-HUUCEWRRSA-N 312.410 -0.140 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCCO[C@H](CNCc2cnon2)C1 1200478581 KEORNEYIKQHSFO-GXTWGEPZSA-N 322.365 -0.185 30 20 DBED CNC(=O)CC(=O)N[C@H]1C[C@@H](NCC#CCOC)C12CCC2 1202805361 LGUHYWYLNAOIPT-OLZOCXBDSA-N 307.394 -0.211 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)CCCOC)[C@H](C)C1 1206252207 CJORIVBKXJIQAL-MGPQQGTHSA-N 309.410 -0.013 30 20 DBED CC#CCN1C[C@@H](NC(=O)CS(=O)(=O)CCOC)[C@H](C)C1 1207730705 LAQNSQXCVXEDPR-CHWSQXEVSA-N 316.423 -0.493 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)C[C@H]2CCC(=O)N2)C1 1210079827 IDPNEWQWIFAUGM-OLZOCXBDSA-N 322.409 -0.462 30 20 DBED CCCN(C)CCC(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1210476489 BTNDUWFGQNRQSP-ZIAGYGMSSA-N 323.441 -0.205 30 20 DBED C#CCCN[C@H]1CCCN(C(=O)CCCN2C(=O)CNC2=O)C1 1211014728 MIOTYZZAQLZXCF-ZDUSSCGKSA-N 320.393 -0.078 30 20 DBED C=C(C)CN1C[C@@H](NC(=O)CNC(=O)Cn2cncn2)[C@H](C)C1 1211301464 XTYWTRBZZFMNGS-CHWSQXEVSA-N 320.397 -0.593 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2[nH]nnc2C)C[C@H]1C 1215291628 DOZPLCZOEKIRMJ-YUSALJHKSA-N 318.381 -0.699 30 20 DBED CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)C#CC(C)C 1217843841 JTRSUDNIFFLMNQ-UONOGXRCSA-N 307.394 -0.307 30 20 DBED C=C(C)CN(CC)C(=O)CN1C[C@H](O)[C@H](NC(=O)COC)C1 1219091440 MMVCPEBIPRVMAB-OLZOCXBDSA-N 313.398 -0.781 30 20 DBED Cc1cc(CN2C[C@H](O)[C@H](NC(=O)C#CC3CC3)C2)nn1C 1219591586 LOXPATOVBHUORR-CABCVRRESA-N 302.378 -0.197 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2cc(C)ncn2)C[C@@H]1O 1219605524 VFLMEGIPGNAXBU-CFVMTHIKSA-N 318.377 -0.515 30 20 DBED C=C(C)C(C)(C)C(=O)N[C@@H]1CN([C@@H]2CCN(C)C2=O)C[C@@H]1O 1220133548 DWANKNOAPRFXKK-UPJWGTAASA-N 309.410 -0.019 30 20 DBED C=CCCCN1C[C@H](O)[C@H](NC(=O)c2cn(C)c(=O)nc2O)C1 1220973847 BYAFEVKYOUPJCA-NEPJUHHUSA-N 322.365 -0.773 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)[C@@H]3CC3(F)F)[C@@H]2C1 1221526636 UPOIIKBGMKNVPU-GRYCIOLGSA-N 311.332 -0.076 30 20 DBED CNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)C#N 1225395982 VTTYGOZUYUAUIH-HBNTYKKESA-N 309.370 -0.381 30 20 DBED COCCOC[C@@H](O)CN1CCC(NC(=O)[C@H](C)C#N)CC1 1226640488 NSFAWZRJEJEFIV-OCCSQVGLSA-N 313.398 -0.249 30 20 DBED CO[C@H](C(=O)NC1CCN(CC(=O)NCC#N)CC1)C1CC1 1227152202 UBMFOSQRDHDPKM-AWEZNQCLSA-N 308.382 -0.368 30 20 DBED N#CCNC(=O)CN1CCC(NC(=O)c2n[nH]cc2F)CC1 1229049239 WVLVIFLSXXFOSN-UHFFFAOYSA-N 308.317 -0.617 30 20 DBED CC#CCN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCS(=O)(=O)N1 1230163998 BGDJUEYTVSJWOL-UPJWGTAASA-N 313.423 -0.282 30 20 DBED C=CCN1CC[C@H](N2CC[C@@H]2CN(C)C(=O)CC(N)=O)C1=O 1231402307 UBLRNDSVTOZDFN-NEPJUHHUSA-N 308.382 -0.819 30 20 DBED C=CCn1cnnc1S(=O)(=O)CC(=O)N1CCOCC1 1319193011 VZFKMCSXQYYJIB-UHFFFAOYSA-N 300.340 -0.903 30 20 DBED C=CC[C@H](NC(=O)c1cc(S(N)(=O)=O)c(C)o1)C(=O)O 1321338630 JUJLVXPXOCJJOJ-ZETCQYMHSA-N 302.308 -0.005 30 20 DBED CS(=O)(=O)CCCNC(=O)NC1CCN(CC#N)CC1 1322565579 MVABMNRSQUDYOE-UHFFFAOYSA-N 302.400 -0.292 30 20 DBED N#CCNC(=O)CNC(=O)NC[C@H]1CCC2(CCOCC2)[C@H]1O 1323413744 NGLHPLRXBRNLJL-YPMHNXCESA-N 324.381 -0.507 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCC(C)(CO)CC1)[C@H]1CCCO1 1324239794 ZGMSRGYJJJDCFL-QWHCGFSZSA-N 308.378 -0.096 30 20 DBED CN1C[C@@H](NC(=O)C(=O)NCc2ccc(C#N)cc2)CC1=O 1324461497 HJJZXFSTRFMGET-LBPRGKRZSA-N 300.318 -0.479 30 20 DBED C[C@@H]1OCC[C@@]1(O)CNC(=O)C(=O)Nc1cccc(C#N)n1 1326820180 IDTGIOHVPIJQFB-LKFCYVNXSA-N 304.306 -0.452 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)nn1 1328080645 MBPWRYGOKYUJPN-NWDGAFQWSA-N 320.397 -0.321 30 20 DBED COCC#CC(=O)NCc1csc(NC(=O)C#CCOC)n1 1328295066 UKKMKZHYGBNNHA-UHFFFAOYSA-N 321.358 -0.003 30 20 DBED C=CCOCCNC(=O)C(=O)NC[C@@H]1CC(=O)N(CCC)C1 1328524180 DSDZFTYRTUUODJ-LBPRGKRZSA-N 311.382 -0.320 30 20 DBED C[C@@H]1CC[C@H](CNC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)O1 1331040306 FBIMPWXOCGITAB-KWCYVHTRSA-N 320.393 -0.131 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)NCCc1cnn(C)c1 1332738618 MPRBILZDUMECJI-CYBMUJFWSA-N 306.366 -0.377 30 20 DBED C#C[C@@H](NC(=O)C(=O)N1CC(N2CCCC2=O)C1)[C@@H]1CCCO1 1333513970 RTHYUWNMYTZHER-OLZOCXBDSA-N 319.361 -0.883 30 20 DBED C#CCN1CCC[C@@H](NC(=O)NC[C@@H](O)c2cnn(C)c2)C1 1333678497 RXIWHUUWALPAQF-ZIAGYGMSSA-N 305.382 -0.150 30 20 DBED COCCN1CC[C@H](NC(=O)C(=O)N2CCC[C@H](C#N)C2)C1 1333852420 VOORUWZHWCHLGQ-OLZOCXBDSA-N 308.382 -0.415 30 20 DBED C=CCN(CCOC)c1nnnn1C[C@@H](C)S(C)(=O)=O 1334393052 NTEDGAINXLDSPA-SNVBAGLBSA-N 303.388 -0.255 30 20 DBED COC(C)(C)CNC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1336138898 MCYHKRCPBIHWEF-LBPRGKRZSA-N 308.382 -0.274 30 20 DBED C#CCSCCNC(=O)C(=O)NC[C@]1(OC)CCOC1 1342541856 WFOVGFNUUSVYQH-CYBMUJFWSA-N 300.380 -0.609 30 20 DBED CNS(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)CC#N)cc1 1343338074 XMJGBZWDHZIHCX-VIFPVBQESA-N 324.362 -0.048 30 20 DBED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NCC(=O)NOCC 1346390315 YAWHFJMFFIHWPJ-CMPLNLGQSA-N 313.354 -0.732 30 20 DBED C#CCOCCNC(=O)C(=O)N[C@H]1CCN(c2ccccn2)C1 1346543864 PRIDVFFEOYIPTM-ZDUSSCGKSA-N 316.361 -0.458 30 20 DBED C=CCn1cc(CNS(=O)(=O)[C@H](C)C(=O)N(C)C)nn1 1348977434 GERRCILPSOODAD-SECBINFHSA-N 301.372 -0.640 30 20 DBED N#Cc1ccc(NCC(=O)NC[C@@H](O)Cn2ccnn2)nc1 1363007198 QQCLWXURJGQBQH-LLVKDONJSA-N 301.310 -0.866 30 20 DBED Cn1c(=O)[nH]c(N2CC[C@@H](C(=O)N3CCCC3)C2)c(C#N)c1=O 1364171192 KLFHSINOJNXLBV-SNVBAGLBSA-N 317.349 -0.606 30 20 DBED Cn1cc(C#N)c(NC(=O)NCCN2CCC3(C2)OCCO3)n1 1365768504 JHSNXSAJHMEYAJ-UHFFFAOYSA-N 320.353 -0.138 30 20 DBED COC[C@H](O)CN1CCO[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 1374124779 PQANSRQRLBTVAL-CHWSQXEVSA-N 322.365 -0.676 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](NC(=O)CCNC(N)=O)C(C)(C)C 1384354344 CBNSUMAQUWGQTR-VHSXEESVSA-N 311.386 -0.148 30 20 DBED COCCN(CCNC(=O)c1nccnc1N)C(=O)[C@H](C)C#N 1384394795 JQVVVZZWSFUKLS-SNVBAGLBSA-N 320.353 -0.577 30 20 DBED C[C@@H](CNC(=O)[C@H](C)C#N)NC(=O)C(C)(C)NS(C)(=O)=O 1386456481 KLBRZEPZDNQNQG-BDAKNGLRSA-N 318.399 -0.905 30 20 DBED COc1cc(C(=O)NC[C@H](O)CNC(=O)[C@H](C)C#N)ccn1 1389105284 JWKVZRIADDQIFM-MWLCHTKSSA-N 306.322 -0.543 30 20 DBED C[C@@H](C(=O)NC(=O)NC1CC1)N1CC(NC(=O)[C@H](C)C#N)C1 1400326983 CDPNBWYNZIGBEJ-BDAKNGLRSA-N 307.354 -0.677 30 20 DBED CO[C@@H](C(=O)NCCN(C)C(=O)[C@H](C)C#N)c1cnn(C)c1 1408636845 QBXBNSVZKVVNPN-ZYHUDNBSSA-N 307.354 -0.158 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](C)CNC(=O)c1cccn2c(O)nnc12 1410279857 SVCIWEXQSAVHNA-DTWKUNHWSA-N 316.321 -0.171 30 20 DBED C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)CO[C@H]1CCOC1 1410375825 VCPIGDDORODNNC-JQWIXIFHSA-N 320.349 -0.074 30 20 DBED CN1CCN(C(=O)CNC(=O)Nc2ccnc(C#N)c2)CC1 1413604495 HYZXCCVATQTXMV-UHFFFAOYSA-N 302.338 -0.151 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CCN(C(=O)[C@@H]2CCCN2C(N)=O)C1 1414555883 XJOHKBUVHNKBJI-AXFHLTTASA-N 307.354 -0.594 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C(=O)CCn1ccnn1)C1CC1 1415884345 XHGNGBCKQPWTKJ-NSHDSACASA-N 304.354 -0.065 30 20 DBED COCC(=O)N(C)CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)C#N 1416140324 RYTNVWJXTZXIIB-WOPDTQHZSA-N 322.365 -0.937 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@](C)(NC(=O)CN2CCCC2=O)C1 1434160097 XOGNDYYFGWPKQJ-ABAIWWIYSA-N 306.366 -0.124 30 20 DBED N#Cc1cn(CCNC(=O)c2cnc3n2CCC3)c(=O)nc1O 1434206967 JHXLOCUDIOHXBV-UHFFFAOYSA-N 314.305 -0.607 30 20 DBED CC1CCN(C(=O)CNC[C@@H](O)CNC(=O)[C@@H](C)C#N)CC1 1438981085 IUPKHUNFZCOGFA-QWHCGFSZSA-N 310.398 -0.529 30 20 DBED C[C@H](CNC(=O)CCc1cnn[nH]1)NC(=O)c1ccc(C#N)[nH]1 1448209621 UDRLBKAXSBRANM-SECBINFHSA-N 315.337 -0.128 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)CCc2ccnn2C)C1 1452638591 TZTSUZWPLIXFOH-CYZMBNFOSA-N 319.365 -0.800 30 20 DBED CC1(NC(=O)CCn2cc(C#N)c(O)nc2=O)CCOCC1 1466309689 XVLKARXPNYLOQD-UHFFFAOYSA-N 306.322 -0.104 30 20 DBED CCCNC(=O)NC(=O)CN(C)CCN(C)C(=O)[C@@H](C)C#N 1496679739 MPPRSCLCMGVBBO-NSHDSACASA-N 311.386 -0.228 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H]1CNC(=O)CN1CCOCC1=O 1497101252 DFWHTTPJHNKANY-NWDGAFQWSA-N 322.365 -0.888 30 20 DBED CC(=O)N1CCC[C@@H](C(=O)N2CC(NC(=O)[C@@H](C)C#N)C2)C1 1530618518 TXHBYLUSIFNFBD-CMPLNLGQSA-N 306.366 -0.268 30 20 DBED C#CCOCCC(=O)NC1CCN(C(=O)[C@H]2C[C@H]2C(=O)O)CC1 1573310927 FHLNPYSGXXRYTF-QWHCGFSZSA-N 322.361 -0.146 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCN[C@@H](C)C(=O)NCc1cnn[nH]1 1575178581 PDZGSPWDCWQCPF-UWVGGRQHSA-N 307.358 -0.983 30 20 DBED C#C[C@@H](NC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O)[C@@H]1CCCO1 1588374254 SFOGTCCNHYQPOJ-MMWGEVLESA-N 311.338 -0.556 30 20 DBED C#CCCCC(=O)NC1(CCO)CN(C(=O)[C@@H]2C[C@@H]2C(=O)O)C1 1588435067 BHFJROMCJMMPLT-NEPJUHHUSA-N 322.361 -0.410 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N(CCN(C)C)CC(=O)O 1588544139 ZZEBFGVCORYWFU-JTQLQIEISA-N 306.388 -0.729 30 20 DBED C[C@](O)(CNS(=O)(=O)Cc1cc(C#N)ccc1F)C(=O)O 1589148729 YYUNIJXAYMCFNJ-LBPRGKRZSA-N 316.310 -0.048 30 20 DBED CC(C)S(=O)(=O)NN=Cc1nc(-c2nn[nH]n2)cs1 1589759552 YSLPNFXPIJWYQV-UHFFFAOYSA-N 301.357 -0.015 30 20 DBED CNS(=O)(=O)c1cc(C(=O)N(CC#N)CC(=O)O)co1 1598673322 LSEQRTULBMXCCA-UHFFFAOYSA-N 301.280 -0.762 30 20 DBED C#CC1(O)CN(S(=O)(=O)c2ccc(OC)c(C(=O)O)c2)C1 1602676868 KZSSLOADPMIRIZ-UHFFFAOYSA-N 311.315 -0.238 30 20 DBED Cn1ncc2cc(S(=O)(=O)N3CCO[C@H](C#N)C3)cnc21 1645694838 MPSOXBAECCKYNP-SNVBAGLBSA-N 307.335 -0.119 30 20 DBED CCO[C@H]1C[C@H](O)C12CCN(C(=O)Cn1cnc(C#N)n1)CC2 1649725646 WIDOJIFMDXOADL-RYUDHWBXSA-N 319.365 -0.072 30 20 DBED C#CCCN1CCN(CCNC(=O)C[C@@H]2CCC(=O)NC2)CC1 1752366274 VKRVSGZKJHJIER-HNNXBMFYSA-N 320.437 -0.340 30 20 DBED COCC#CCNC[C@H]1CCCN(C(=O)[C@@H]2CCNC2=O)C1 1752803747 AIRMRGKJLITQMF-ZIAGYGMSSA-N 307.394 -0.400 30 20 DBED C#CCNC(=O)CN(CCNC(=O)c1n[nH]cc1C)C1CC1 1753153142 NTOGTVXBARGJNY-UHFFFAOYSA-N 303.366 -0.338 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC(NC(=O)[C@@H]2CCCCN2CC)C1 1753395945 ZPSWZTQOHSZGNH-HIFRSBDPSA-N 320.437 -0.201 30 20 DBED C[C@@]1(C(=O)N2C[C@@H]3C[C@H]2CN3CC(=O)NCC#N)CCOC1 1753424925 FTBBLGLBYRQFMM-SLEUVZQESA-N 306.366 -0.662 30 20 DBED CC#CCNC[C@@H](C)CNC(=O)c1c[nH]nc1S(N)(=O)=O 1753629202 JKSKWUVLZSFVMT-SECBINFHSA-N 313.383 -0.964 30 20 DBED C=CCN1CC[C@@H](NC[C@H](O)CNC(=O)c2ncoc2C)C1=O 1753907020 INNZPZDPKDTHNE-NWDGAFQWSA-N 322.365 -0.550 30 20 DBED C=CCNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)c1cncc(F)c1 1753908946 PQPNMKBLJYUQAJ-GXFFZTMASA-N 324.356 -0.408 30 20 DBED C#Cc1ccc(C(=O)NC/C=C\CNCc2nnnn2C)nc1 1754196796 JKGHYBRVMOKMKL-PLNGDYQASA-N 311.349 -0.338 30 20 DBED C#CCNC(=O)CN1C[C@H]2C[C@H]1[C@H]2NC(=O)CN(C)CCC 1754430214 HMYBNFLWRMJVJG-WWGRRREGSA-N 306.410 -0.734 30 20 DBED C=CCNC(=O)CNC[C@@H]1CN(C(=O)Cn2ccnc2)CCO1 1755018584 URZZMJFGULUYFX-CYBMUJFWSA-N 321.381 -0.998 30 20 DBED C=CCN1CC2(C1)CN(C(=O)CS(=O)(=O)C(C)C)CCO2 1755051025 JPVKFOILUMTZID-UHFFFAOYSA-N 316.423 -0.091 30 20 DBED CNC(=O)NCC(=O)N1CCC[C@H]([C@H]2CCN(CC#N)C2)C1 1755205555 UCFOHIOEPIULEN-STQMWFEESA-N 307.398 -0.001 30 20 DBED C#CCNC(=O)CN1CC([C@H](C)NC(=O)c2ccnc(C)n2)C1 1755391806 NJVHLZCIXFJCRF-NSHDSACASA-N 315.377 -0.415 30 20 DBED C#CCN[C@H](C)[C@H]1CN(C(=O)CN2CCCCC2=O)CCO1 1755444905 OZFKNXVRXILXEH-ZIAGYGMSSA-N 307.394 -0.162 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@H](CO)NCC(=O)NC(C)(C)C 1755624914 AZNSPWNNOXDERH-XHDPSFHLSA-N 315.414 -0.705 30 20 DBED C#CCN[C@H](CO)CNC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 1755629282 KHVDSUJHMBQMSV-KGLIPLIRSA-N 307.394 -0.665 30 20 DBED C#CCNC(=O)CN[C@@H]1C[C@@H](C)N(C(=O)c2cnn(C)c2C)C1 1755671608 ZEWHLALYUFZXAU-DGCLKSJQSA-N 317.393 -0.329 30 20 DBED Cc1cncn1CC(=O)N1C[C@H](NCC(=O)NCC#N)C[C@H]1C 1755684408 KFTDWMJFLZVVFX-DGCLKSJQSA-N 318.381 -0.590 30 20 DBED C=CCOCCN1CC[C@]2(NC(=O)Cn3ncnn3)CCC[C@H]12 1755703307 WTKRCWVAJHTBRT-DZGCQCFKSA-N 320.397 -0.011 30 20 DBED Cc1ncc2n1CC[C@@H](C(=O)N(C)C[C@@H](O)CNCC#N)C2 1755788239 OVWODXREJFNYHK-OCCSQVGLSA-N 305.382 -0.314 30 20 DBED C#CCCCCC(=O)N1CC([C@@H](C)NC(=O)Cn2ncnn2)C1 1756143491 QLMRKXMRABQEIO-GFCCVEGCSA-N 318.381 -0.170 30 20 DBED C#CCOCCC(=O)N(C)C[C@@H](C)NC(=O)c1cnn(C)n1 1756453900 XINVVGMLCQFLHK-LLVKDONJSA-N 307.354 -0.568 30 20 DBED C=CCCC(=O)NC[C@H](CO)NC(=O)C1(C(=O)N(C)C)CC1 1756508340 TUCAMPSDRONQCC-LLVKDONJSA-N 311.382 -0.586 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](CO)CNC(=O)CC(C)(C)O 1756515118 FYHZOAJVTGMELU-TUAOUCFPSA-N 314.382 -0.668 30 20 DBED C#CCOCCC(=O)NC[C@H](CO)NC(=O)c1nccs1 1756521374 PAOHVIMCVDNAEV-SNVBAGLBSA-N 311.363 -0.610 30 20 DBED C=C[C@](C)(CC)C(=O)N[C@@H](CO)CNC(=O)c1cnc(O)n1C 1756539328 BGZIGQYUXAFAAX-MEBBXXQBSA-N 324.381 -0.065 30 20 DBED C#CCOc1ncccc1C(=O)NC[C@H](O)CN(C)C(C)=O 1756650157 DAMDHDFUZAOJOT-LBPRGKRZSA-N 305.334 -0.337 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@H](NC(=O)c2ccn(C)c2C)C1 1757209531 YQZSQXFAEHWPFZ-KGLIPLIRSA-N 321.377 -0.162 30 20 DBED N#CCSCC(=O)N1CC[C@@H](NC(=O)c2ccon2)[C@H](O)C1 1757562915 RUHHZGSAEYJKRY-MWLCHTKSSA-N 324.362 -0.377 30 20 DBED CCN(CCC#N)S(=O)(=O)NC1CCN(CC(=O)O)CC1 1776863605 CQVANSVKKPJEQX-UHFFFAOYSA-N 318.399 -0.395 30 20 DBED C#CC(=O)N1CC[C@@H](CNC(=O)[C@@H](N)CN)[C@H]1c1cccnc1 1808270900 OGLRAEIEKXEGPR-KCQAQPDRSA-N 315.377 -0.993 30 20 DBED N#CCC(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H](N)CN)sc2C1 1817061380 QOWBOODUOQISCP-SFYZADRCSA-N 322.394 -0.745 30 20 DBED Cn1cc(C#N)c(=O)n(Cc2cc(=O)n3ccccc3n2)c1=O 11265634 LEIZSFJLMYTGGI-UHFFFAOYSA-N 309.285 -0.525 30 20 DBED CN(C)CCn1cc(Nc2c(C#N)c(=O)n(C)c(=O)n2C)cn1 57854526 ICIFEROWGDQFCF-UHFFFAOYSA-N 317.353 -0.543 30 20 DBED COC[C@](C)(C#N)NC(=O)Cn1nnc2ccccc2c1=O 156192171 AWNLXJFJHAAZMB-AWEZNQCLSA-N 301.306 -0.164 30 20 DBED CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C[C@@H](C#N)CCC#N 161830278 GIMLHOMVSODFMF-VXGBXAGGSA-N 312.395 -0.335 30 20 DBED C#CCN1CCN(CN2C[C@@](C)(C(=O)OCC)CC2=O)CC1 184862823 WNLHTRKHSCCKJZ-INIZCTEOSA-N 307.394 -0.004 30 20 DBED COCCN1CCN(S(=O)(=O)c2ccc(C#N)nc2)CC1=O 271063776 HNVZMOHKRGTKLN-UHFFFAOYSA-N 324.362 -0.567 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H]2CCOC[C@H]2C)C1=O 286507820 BEAUIWNMHWKLQQ-GHMZBOCLSA-N 323.349 -0.248 30 20 DBED COC(=O)[C@H]1CC[C@@H](NC(=O)NCCn2cnc(C#N)n2)C1 288800132 TUXMKQNHCSDUNX-VHSXEESVSA-N 306.326 -0.209 30 20 DBED C#Cc1ccccc1CC(=O)NCCNS(=O)(=O)N(C)C 296965071 DGWCPHBMGUHYGK-UHFFFAOYSA-N 309.391 -0.277 30 20 DBED CS(=O)(=O)N1CCC[C@@H]1C/N=C(/O)N1CCC[C@H]1CO 328764254 ZXHQQDMXBBHEHP-MNOVXSKESA-N 305.400 -0.219 30 20 DBED CO[C@H]1C[C@@H](CO)N(/C(O)=N/CC2(N3CCOCC3)CC2)C1 329202092 VWTKKRGGJDRNNL-STQMWFEESA-N 313.398 -0.153 30 20 DBED C[C@@H](O)C(=O)N1CCN(C(=O)Nc2ccn(CCC#N)n2)CC1 330568722 NLPQZHSGYXCSQU-LLVKDONJSA-N 320.353 -0.146 30 20 DBED COC(=O)[C@H](CC(C)C)NS(=O)(=O)N1CCO[C@@H](C#N)C1 336928103 YQESDQVKRDMADB-QWRGUYRKSA-N 319.383 -0.367 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@@H]1CC[C@H](C(N)=O)O1 336942990 LADAVFNEYASYCV-OUAUKWLOSA-N 318.399 -0.665 30 20 DBED CN(CC(=O)NCC(=O)NCC#N)c1ccccc1[N+](=O)[O-] 344158980 OBMHNKQMBORGSS-UHFFFAOYSA-N 305.294 -0.213 30 20 DBED N#CCCN(CCC#N)S(=O)(=O)N1CCS(=O)(=O)CC1 345928637 SAEHVTGRYHGCHX-UHFFFAOYSA-N 320.396 -0.909 30 20 DBED C=CC[C@H](CO)NC(=O)N[C@H]1CCN(CCC(=O)OC)C1=O 346341931 VCOJGHVQJAAGAP-MNOVXSKESA-N 313.354 -0.613 30 20 DBED COc1cccc(C(=O)NCC(=O)N2CC(O)(CC#N)C2)c1 352205110 KVHZPIXSEXAMBM-UHFFFAOYSA-N 303.318 -0.088 30 20 DBED CNS(=O)(=O)[C@H]1CCCN([C@@H](C)C(=O)N(C)CCC#N)C1 365276534 WVQXTWUVXUWCAF-RYUDHWBXSA-N 316.427 -0.239 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)NC[C@H]1CN(C)CCN1C 407953440 CRYWONQZNCMCLH-RYUDHWBXSA-N 303.432 -0.842 30 20 DBED COCC[C@@H](NC(=O)CNc1ccc(C#N)cn1)C(=O)OC 428516992 TVKLKYLSEVSDIZ-LLVKDONJSA-N 306.322 0.059 30 20 DBED C#CCN1CCN(C(=O)CN[C@@H]2CCCC[C@@H]2C(N)=O)CC1 490715231 VKGTWDOHNDQXAB-UONOGXRCSA-N 306.410 -0.603 30 20 DBED C#CCN1CCC(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)OC)CC1 490891337 DDXPUIAUEBONQS-AWEZNQCLSA-N 318.377 -0.045 30 20 DBED C#CCN(C)CCCNC(=O)N1CCN(C(=O)N(C)C)CC1 491764619 DFNUEFVUZRNDDU-UHFFFAOYSA-N 309.414 -0.050 30 20 DBED COC[C@H](CO)NC(=O)C(=O)Nc1ccc(C#N)cc1OC 564490286 YKRGNNZFRUKVOU-JTQLQIEISA-N 307.306 -0.371 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@@H](CC(=O)O)OC 567170937 QFGSREZAONHBIS-VHSXEESVSA-N 307.372 -0.208 30 20 DBED CC(C)(CC#N)CS(=O)(=O)NC[C@H](O)Cn1ccnn1 584302853 PKRUHIFHFMGFSU-JTQLQIEISA-N 301.372 -0.502 30 20 DBED CNc1nccc(C(=O)N2CC[C@](O)(CC#N)C2)c1[N+](=O)[O-] 594373763 GBJBPYINILNRMC-CYBMUJFWSA-N 305.294 0.522 30 20 DBED CCN(C[C@@H](C)C#N)C(=O)[C@@H]1CCCN(S(N)(=O)=O)C1 596824367 WCSXDTJNRCNDED-WDEREUQCSA-N 302.400 -0.090 30 20 DBED CN1CCO[C@@H](CS(=O)(=O)N2CCSC[C@H]2C#N)C1 601387560 YRBFYNRUXGAGAV-GHMZBOCLSA-N 305.425 -0.412 30 20 DBED C[C@](C#N)(NC(=O)COC(=O)C1CC(=O)NC(=O)C1)C1CC1 726818165 MPOHPMSFPBEXOX-CQSZACIVSA-N 307.306 -0.609 30 20 DBED C#CCSCCNc1c(-c2nn[nH]n2)c(=O)n(C)c(=O)n1C 735387673 FBXUYRLJRBDVEW-UHFFFAOYSA-N 321.366 -0.958 30 20 DBED C#CCNC(=O)COC(=O)c1cnc2scc(C)n2c1=O 776462394 FTTFTJOVHZEISN-UHFFFAOYSA-N 305.315 -0.029 30 20 DBED COC[C@@H](C#N)OC(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 786378342 WRFMBRRICSFPLY-NPNZPCOPSA-N 322.317 -0.379 30 20 DBED CC#CC(=O)NCCN(CCN1CCOCC1)C(=O)C#CC 801195317 JAIXDULZUMYQDO-UHFFFAOYSA-N 305.378 -0.690 30 20 DBED C#CCN1CCN(C(=O)[C@@H]2COCCN2CC(F)F)CC1 806621306 IMUCIROCVIFFMS-LBPRGKRZSA-N 301.337 -0.270 30 20 DBED Cn1cc([C@@H]2OCCC[C@H]2C(=O)N[C@@H]2CCN(O)C2=O)cn1 820144444 WAZPMSQZZSRPLE-UTUOFQBUSA-N 308.338 -0.006 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](C)C(C)(F)F)CC1 831579964 SYBKMYCKJBLMTA-JTQLQIEISA-N 323.365 -0.111 30 20 DBED C#CC1CCN(C(=O)C(=O)Nc2cnn(CC(=O)NC)c2)CC1 834303785 OYQWMFUNPREIQF-UHFFFAOYSA-N 317.349 -0.561 30 20 DBED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCC1CNC1 834398392 YYYHECFEYPGGHV-UHFFFAOYSA-N 322.390 -0.549 30 20 DBED N#C[C@@H]1CNC[C@@H]1NC(=O)CCNS(=O)(=O)c1ccccc1 834505748 NNVUSZXLLDVNHL-YPMHNXCESA-N 322.390 -0.417 30 20 DBED Cn1c(N)c(C(=O)COC(=O)C#CC(C)(C)C)c(=O)n(C)c1=O 838376433 ZCZMBZXBDRVZHG-UHFFFAOYSA-N 321.333 -0.558 30 20 DBED C#CCSCCNC(=O)N1CCC[C@@H](N2CCNCC2=O)C1 841831062 ANQYTSUTUMSVTA-CYBMUJFWSA-N 324.450 -0.041 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N1C[C@H](O)C[C@H]1C(=O)O 844794948 KNKRJMRHRMIRBD-AEJSXWLSSA-N 305.356 -0.767 30 20 DBED C#CCC[C@@H](O)CNC(=O)C1=C(C)N(C)c2nnnn2[C@@H]1C 848035259 PXENCJQEZFFNDL-GHMZBOCLSA-N 304.354 -0.152 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N1C[C@@H](C)[C@H](C(=O)OC)C1 850711154 CSVCYGNCYIAYCN-CHWSQXEVSA-N 324.377 -0.248 30 20 DBED C#CCN(CC#CC)C(=O)c1cn(C[C@@H]2CNC(=O)O2)nn1 889244627 RCZNAPDMJMLKIW-NSHDSACASA-N 301.306 -0.515 30 20 DBED C[C@H](C#N)C(=O)N1CCCN(C(=O)CCc2cn(C)nn2)CC1 941517182 JFHSPOWGNLPANQ-GFCCVEGCSA-N 318.381 -0.032 30 20 DBED C=CCn1cc(C(=O)N2CC(N(C)C(=O)[C@@H]3CCCO3)C2)nn1 953674004 ZIZVQUUTPFACGR-ZDUSSCGKSA-N 319.365 -0.074 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2nnn(C(C)(C)C)n2)C1 958077140 QFSZPPGXHYZGNJ-WDEREUQCSA-N 306.370 -0.916 30 20 DBED N#CCN1C[C@H](CNC(=O)c2cn(CC3CC3)nn2)[C@@H](O)C1 958524774 BWWXAUDLNRCTTM-AAEUAGOBSA-N 304.354 -0.766 30 20 DBED C#CCCN1C[C@@H](O)[C@@H](CNC(=O)c2c3c(nn2C)CCC3)C1 958588012 OASKGQSDDFGBKD-SWLSCSKDSA-N 316.405 -0.045 30 20 DBED O=C(C[C@@H]1CCOC1)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 961995137 GXOVFBKHLAEBQQ-MJBXVCDLSA-N 306.362 -0.486 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(C[C@H](NC(=O)c3cn(C)cn3)CO2)C1 965670510 SWASARWYBPEFGZ-QWRGUYRKSA-N 317.349 -0.321 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](NCc2nnc3n2CCOC3)C1 967942759 GARMZGRDBAXSKX-WDEREUQCSA-N 304.354 -0.342 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cncn1 970058684 SYQCBKNSANHBGN-UTUOFQBUSA-N 302.338 -0.360 30 20 DBED C=CCCN1CCO[C@]2(CCN(C(=O)Cn3cnnn3)C2)C1 972248717 LBQDEHUPCRAYSK-CQSZACIVSA-N 306.370 -0.448 30 20 DBED CN(C[C@@H]1CCN1C(=O)c1c[nH]c(C#N)c1)C(=O)c1cnn[nH]1 977970230 LOYICBKLCUQEOP-NSHDSACASA-N 313.321 -0.009 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]1CN(C)C(=O)c1ccc(C(N)=O)[nH]1 978417334 UNVPPOPFMABUTK-UWVGGRQHSA-N 317.349 -0.054 30 20 DBED O=C(NC[C@H]1CCN(C(=O)C#CC2CC2)C1)[C@@H]1COCCO1 982742204 MQHUFOAQNLSUNI-KGLIPLIRSA-N 306.362 -0.220 30 20 DBED N#CCN1CCCN(C(=O)c2cn(C[C@@H]3CCOC3)nn2)CC1 983090746 JKCBSVNZEBDSRM-ZDUSSCGKSA-N 318.381 -0.014 30 20 DBED C=CCN[C@@H]1C[C@H](C)N(C(=O)CCn2cc[nH]c(=O)c2=O)C1 989561655 HMQGUMOUWOJIRY-NWDGAFQWSA-N 306.366 -0.308 30 20 DBED C=CCn1cc(C(=O)N2CC(NC(=O)[C@@H]3CCN(C)C3)C2)nn1 991723929 UVLMWRNPLTWBRG-LLVKDONJSA-N 318.381 -0.644 30 20 DBED C#CCCN1CCC[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)[C@H]1C 994216436 VKUAZEQVRHZZCF-CHWSQXEVSA-N 320.393 -0.127 30 20 DBED C[C@@]1(C(=O)NC2CN(C(=O)C#CC3CC3)C2)CCNC(=O)C1 994861654 WEOAEPYMIHJKPJ-MRXNPFEDSA-N 303.362 -0.357 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)[C@@H]2CCc3nn[nH]c3C2)C1 996393034 VTEUNDIVXHKGJO-DTWKUNHWSA-N 302.338 -0.604 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CCC(=O)NC2)C1 1000018166 NCEYLPRJCSQKOA-RTXFEEFZSA-N 321.377 -0.569 30 20 DBED C#Cc1ccc(C(=O)NCC2CCN(CC(N)=O)CC2)nc1 1002058394 TXKIHPWDBRTBKQ-UHFFFAOYSA-N 300.362 -0.010 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)c2nc[nH]n2)C1 1006629234 VAMTYQJKWKCIJL-JLLWLGSASA-N 319.365 -0.028 30 20 DBED Cn1cnc(C(=O)N2CCN(C(=O)c3ccc(C#N)[nH]3)CC2)n1 1011016768 OMWCNYULDMVQBT-UHFFFAOYSA-N 313.321 -0.387 30 20 DBED N#CCN[C@H]1C[C@H](NC(=O)Cn2nnc(-c3ccco3)n2)C1 1020337987 BAVMLHKBLCAJOW-MGCOHNPYSA-N 301.310 -0.307 30 20 DBED CCc1ocnc1C(=O)N[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1O 1023235447 PYSYSEIZQNSEMB-OPRDCNLKSA-N 306.322 -0.302 30 20 DBED N#CCN1CCC[C@@H](CNC(=O)C2CC3(C2)NC(=O)NC3=O)C1 1023640680 LALURPINYSWKTP-NLTNOIMHSA-N 319.365 -0.674 30 20 DBED Cn1nnnc1CN[C@@H]1CC[C@H]2CN(C(=O)C#CC3CC3)C[C@@H]21 1026265209 GPALMEKOEDWXLD-MELADBBJSA-N 314.393 -0.050 30 20 DBED N#CCN1CCC[C@H]1CNC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 1027878906 KALCJBDVWZCTDS-RYUDHWBXSA-N 316.365 -0.133 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN(Cc2nccn2C)C1 1030462428 WQNUAJGXFKJGMG-AWEZNQCLSA-N 301.394 -0.182 30 20 DBED C=CCN1CC[C@H](N2CC(CNC(=O)[C@@]34COC[C@@H]3C4)C2)C1=O 1031687479 BCZUDKXAPYUBFT-ZQIUZPCESA-N 319.405 -0.142 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)[C@@H]2CCn3cncc3C2)C1 1035414347 NVCLSCKJJZMJNO-HIFRSBDPSA-N 302.378 -0.104 30 20 DBED C=CCN1CCO[C@@H](CNC(=O)[C@H]2CCCN(C(N)=O)C2)C1 1035435016 LLSGRMBOSBKSES-STQMWFEESA-N 310.398 -0.220 30 20 DBED CC#CCN1CCO[C@@H](CNC(=O)c2cc(C(N)=O)c[nH]2)C1 1035560202 QAOMACOATPZZPQ-LBPRGKRZSA-N 304.350 -0.433 30 20 DBED Cc1nn[nH]c1C(=O)N1CC[C@](O)(CNC(=O)C#CC2CC2)C1 1039685597 QDZAJCQZAAJQQL-HNNXBMFYSA-N 317.349 -0.780 30 20 DBED C=CCCC(=O)N1CC[C@@](O)(CNC(=O)Cn2nccn2)C1 1039825622 SRPMRXYIAIGARI-CQSZACIVSA-N 307.354 -0.676 30 20 DBED C#CCC1(C(=O)NC[C@]2(O)CCN(C(=O)COC)C2)CCC1 1040060521 WCHUNMHTXBPRSW-MRXNPFEDSA-N 308.378 -0.094 30 20 DBED Cn1ncc(C(=O)N2CC[C@H]3CN(c4ccnc(C#N)n4)C[C@H]32)n1 1040665321 QUDPFKKQRMVURJ-CMPLNLGQSA-N 324.348 -0.172 30 20 DBED COCC(=O)N1CCCO[C@@H](CN=c2cc[nH]c(C#N)n2)C1 1041468053 ITUBOGQEUYQXDR-NSHDSACASA-N 305.338 -0.554 30 20 DBED N#Cc1ccc(C(=O)NCC2(O)CN(C(=O)c3ncc[nH]3)C2)[nH]1 1042608925 NDERAOYTEAHPDO-UHFFFAOYSA-N 314.305 -0.774 30 20 DBED CC(C)(C)C#CC(=O)NCC1(O)CN(C(=O)CSCC#N)C1 1042966021 MMBDFMSNNLPAIO-UHFFFAOYSA-N 323.418 -0.018 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)C[C@](C)(O)C=C)C1 1043033277 WCUOUEBXAFUFHB-OAHLLOKOSA-N 324.377 -0.957 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2[nH]cnc2C)C1 1043822385 DKAABVTUEPBENK-NSHDSACASA-N 322.365 -0.388 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)c2ccc(O)nn2)C1 1044479224 WLPREPIIFWJZRU-UHFFFAOYSA-N 320.349 -0.303 30 20 DBED C=C(C)CN[C@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)[C@@H](C)C1 1044882551 ZMSASQIHOUJEPS-RYUDHWBXSA-N 320.397 -0.078 30 20 DBED COc1cc(C(=O)N2CC(O)(CNC(=O)[C@@H](C)C#N)C2)sn1 1045559824 QCSUXWQCVJYECJ-QMMMGPOBSA-N 324.362 -0.386 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3nn[nH]c3C2)C1 1047597477 QHJPHBOQRRQZCF-BPNCWPANSA-N 305.382 -0.401 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCN2C)C1 1048562750 SHBXLYFNXSFUNB-ILXRZTDVSA-N 321.421 -0.086 30 20 DBED C#CCCCC(=O)N(C)[C@H]1CN(C(=O)C2=COCCO2)C[C@@H]1O 1048750022 IKIIJXXRRQWGGB-STQMWFEESA-N 322.361 -0.292 30 20 DBED CNC(=O)NCC(=O)N1CC[C@H]([C@@H](C)NC(=O)C#CC(C)C)C1 1050936429 YWXGYTKFBPZGGB-OLZOCXBDSA-N 322.409 -0.072 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)c1c[nH]nc1[C@@H]1CCOC1 1051046786 VIRJEGOLCIGEAN-OLZOCXBDSA-N 318.377 -0.023 30 20 DBED CC#CCN1CCOC[C@@H]1CNC(=O)c1ccn2nnnc2c1 1051061218 OKFNVMSQRGEUPJ-ZDUSSCGKSA-N 314.349 -0.422 30 20 DBED COc1cc(O)ncc1C(=O)NC[C@@H]1COCCN1CC#N 1051115498 YNYGASRYZGLQEA-SNVBAGLBSA-N 306.322 -0.250 30 20 DBED C#CCN1CCN([C@@H]2CCN(C(=O)Cn3cccn3)C2)CC1 1051982525 GIYGVXZDMSBELY-OAHLLOKOSA-N 301.394 -0.265 30 20 DBED N#CCN1CCN([C@H]2CCN(C(=O)C[C@@H]3COC(=O)C3)C2)CC1 1052013131 ROWYOQVTTVDZSV-KBPBESRZSA-N 320.393 -0.318 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)COc1cnn(C)c1)CCO2 1053397102 LLVLHMAAXYKUOH-UHFFFAOYSA-N 318.377 -0.265 30 20 DBED Cc1nn(C)c(=O)c(C(=O)N2C[C@H](C)[C@@H](NCC#N)C2)c1C 1054960002 PWRHAIKZRYHUFB-CABZTGNLSA-N 303.366 -0.029 30 20 DBED C=CCCC(=O)N1C[C@H]2CN(C(=O)Cn3ncnn3)C[C@H]2C1 1055235170 QXGSTMUTMQSNKA-TXEJJXNPSA-N 304.354 -0.444 30 20 DBED COCC(=O)NC1CCN(CCNC(=O)C#CC2CC2)CC1 1055573671 HFRJTOWUUNFRRZ-UHFFFAOYSA-N 307.394 -0.257 30 20 DBED CC(C)N(C)CC(=O)N[C@@]1(CO)CCCN(C(=O)[C@@H](C)C#N)C1 1055980828 RGRDAJHHHFRESS-BBRMVZONSA-N 324.425 -0.044 30 20 DBED N#Cc1ccc(C(=O)N(CCO)CCNC(=O)[C@@H]2CCOC2)[nH]1 1057367028 MMEOYXNWFRFKCG-LLVKDONJSA-N 320.349 -0.526 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)c1cc(OC)n(C)n1 1058208226 OSQVIOWSXPZOED-UHFFFAOYSA-N 324.381 -0.054 30 20 DBED Cc1nc(CC(=O)N[C@H]2CCN(c3nccnc3C#N)C2)n[nH]1 1058352462 VKKQDQRNXVGUTA-JTQLQIEISA-N 312.337 -0.288 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 1058654586 BJFCBOXSTAQYFY-ZOBORPQBSA-N 323.393 -0.102 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)c1coc(C(N)=O)c1 1058660716 GWFCDBFMPODNNI-SECBINFHSA-N 322.321 -0.911 30 20 DBED N#Cc1nccnc1N[C@H]1C[C@H](NC(=O)[C@H]2CCC(=O)NC2)C1 1059457776 RGJJLXLGYHCEED-DCAQKATOSA-N 314.349 -0.066 30 20 DBED C#CCOCCC(=O)N1CC[C@H](CCNC(=O)CNC(N)=O)C1 1059643901 FZPIWALGVFFIHH-LBPRGKRZSA-N 324.381 -0.951 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC2(CCN(C(=O)C(N)=O)CC2)C1 1061036745 AOIFYQCTXJJTGU-NSHDSACASA-N 309.366 -0.486 30 20 DBED C=CCCOCC(=O)N1CCC2(CC1)CN(C(=O)C(N)=O)C2 1061109485 NZCPGAGOTBZHHL-UHFFFAOYSA-N 309.366 -0.485 30 20 DBED Cn1cnc(C(=O)NC[C@H]2CCCN2c2cnc(C#N)cn2)n1 1061348988 PHLXHDINEUGSKG-LLVKDONJSA-N 312.337 -0.124 30 20 DBED Cn1cc(C(=O)N2CCOC[C@@H]2CNC(=O)C#CC2CC2)nn1 1061570260 XGYOTUJRACXVJN-LBPRGKRZSA-N 317.349 -0.814 30 20 DBED C=CC(C)(C)C(=O)NC[C@H]1COCCN1C(=O)c1cnnn1C 1061753891 VBYNQTYDVHEMCO-NSHDSACASA-N 321.381 -0.016 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)[C@H]2CCC(=O)N2C)CCC1 1064132164 NLHMFUZEZWTDHA-WDEREUQCSA-N 306.366 -0.078 30 20 DBED C=C(C)[C@H](CC(=O)NC1(CNC(=O)C(N)=O)CCC1)OCC 1064293258 XSNKCQLHAZKGTF-NSHDSACASA-N 311.382 -0.002 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H]1CN(C(=O)CCC)CCO1 1064764542 XETWMXNKYOLBGZ-LBPRGKRZSA-N 309.366 -0.730 30 20 DBED C=CCn1cc(C(=O)N2CCO[C@H](CNC(=O)COC)C2)nn1 1065165113 GRRZYLAZYJZAME-LLVKDONJSA-N 323.353 -0.932 30 20 DBED Cn1ncc(C(=O)NC[C@H]2[C@@H]3CN(c4ccc(C#N)nn4)C[C@H]23)n1 1068177475 FXYIMVWIMFHSMK-CNDDSTCGSA-N 324.348 -0.411 30 20 DBED C=C[C@H](C)[C@@H](C)C(=O)N1CC2(CN(C(=O)CC(N)=O)CCO2)C1 1068363217 IJWYDQOFVAUTCL-NWDGAFQWSA-N 323.393 -0.240 30 20 DBED CNC(=O)CC(=O)N1CC2(C[C@H](NC(=O)C#CC3CC3)CO2)C1 1068860914 UYYPQORDTGMXIN-LBPRGKRZSA-N 319.361 -0.978 30 20 DBED C=CCN[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2)C[C@H]1c1cncn1C 1070630589 XEQHYYZIHYYUQP-JHJVBQTASA-N 317.393 -0.231 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CCCN(C(=O)c2ncn(C)n2)C1 1070688963 FZVTYXKGKXGHOD-ABAIWWIYSA-N 321.381 -0.137 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)C[C@@](C)(O)C2CC2)CC1 1070956523 QWGZXDDJQZFTAT-QGZVFWFLSA-N 321.421 -0.179 30 20 DBED C[C@H]1CN(C(=O)CSCC#N)C[C@@H]1NC(=O)Cc1nc[nH]n1 1071661924 QGOSRNOGRRKLTF-UWVGGRQHSA-N 322.394 -0.433 30 20 DBED C#CCCN1C[C@H](NC(=O)CN2C(=O)CNC2=O)CC[C@H]1C 1072054278 AGLIPBJBXOABEY-VXGBXAGGSA-N 306.366 -0.469 30 20 DBED Cc1nn[nH]c1C(=O)N1C[C@@H](C)[C@@H](NC(=O)CSCC#N)C1 1072493727 OYTPOFKOSVYROQ-SCZZXKLOSA-N 322.394 -0.053 30 20 DBED CCn1nc(C(=O)NC[C@H]2CN(CC#N)CCCO2)ccc1=O 1073821464 KGBAQENIZXFYNB-LBPRGKRZSA-N 319.365 -0.393 30 20 DBED N#CCN1CCO[C@H]2CCN(C(=O)CN3CCOCC3)C[C@H]21 1074219404 OVYXXZXUHJJQIN-KGLIPLIRSA-N 308.382 -0.856 30 20 DBED C#CCN1C[C@@H]2CCN(C(=O)[C@H]3CC(=O)N(CCOC)C3)[C@@H]2C1 1075855788 QXAQRBZMTSYSGY-SOUVJXGZSA-N 319.405 -0.353 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)C#CC1CC1 1076219177 WWSCMFPKTZUZIG-LBPRGKRZSA-N 303.362 -0.450 30 20 DBED CC(C)C#CC(=O)NCC[C@H](C)NC(=O)[C@@H]1CC(=O)NC(=O)N1 1076411744 WPDBALJCHLFZNR-QWRGUYRKSA-N 322.365 -0.745 30 20 DBED C#CCO[C@@H](C)C(=O)NCC[C@H](C)NC(=O)[C@H]1CCC(=O)N1C 1076511767 FKAOHLATZGUDTO-RWMBFGLXSA-N 323.393 -0.344 30 20 DBED COCCC(=O)NC[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1O 1081149637 LASLYWXIMQZPBY-GXFFZTMASA-N 320.349 -0.528 30 20 DBED C#CCCCCC(=O)NC[C@@H]1CN(C(=O)c2cnn[nH]2)C[C@H]1O 1081422617 OOMVDYPGBHFLMY-DGCLKSJQSA-N 319.365 -0.453 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@H](CNC(=O)Cc2cnc[nH]2)C1 1081800351 NKSFUBNGFZPNRD-OCCSQVGLSA-N 318.377 -0.309 30 20 DBED C#CCCN1C[C@@H](NC(=O)[C@H]2CCC(=O)N(C)C2)[C@H](OC)C1 1082385922 MAGZJQILAOFTTB-BFHYXJOUSA-N 307.394 -0.307 30 20 DBED C=CCN1CC[C@H](N2CC[C@@H]3CN(C(=O)CC(N)=O)[C@@H]3C2)C1=O 1084244169 FINWKWLDANXLHN-FRRDWIJNSA-N 320.393 -0.819 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)CC[C@@H]3NC(=O)NC3=O)C[C@@H]2C1 1088194723 SUUYQDVQMHSOPO-AGIUHOORSA-N 318.377 -0.612 30 20 DBED N#CCN[C@@H]1CCCCCN(C(=O)CN2CCC(=O)NC2=O)C1 1088410907 UGPRKNWVHAQDLT-GFCCVEGCSA-N 321.381 -0.187 30 20 DBED C[C@@H](C[C@H](C)NC(=O)C1(C(N)=O)CC1)N=c1cc[nH]c(C#N)n1 1089463586 FEXKEKOCFVSTEB-UWVGGRQHSA-N 316.365 -0.269 30 20 DBED CNC(=O)NCC(=O)N[C@H](C)C[C@@H](C)Nc1nccnc1C#N 1089500909 VJEXWFZTJXVLHU-NXEZZACHSA-N 319.369 -0.028 30 20 DBED CCN(c1ccc(C#N)nn1)[C@H](C)CNC(=O)CNC(N)=O 1089571326 GQDXAXQZABGJCA-SECBINFHSA-N 305.342 -0.652 30 20 DBED C=C(C)CCN1CC[C@@H](NC(=O)C2CC(=O)NC(=O)C2)[C@H](O)C1 1090641497 QUZDCXBFGZPOQB-CHWSQXEVSA-N 323.393 -0.443 30 20 DBED CCNC(=O)CC(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1C 1090702955 XXIWQYPYHQJYIN-ZYHUDNBSSA-N 316.365 -0.185 30 20 DBED C#CCOc1ncccc1C(=O)N[C@@H]1CCN(CCO)C[C@H]1O 1090738226 XBJLTCNAMGZFNY-ZIAGYGMSSA-N 319.361 -0.749 30 20 DBED CCc1nc(C#N)cc(N2C[C@H](O)[C@H](NC(=O)COC)C2)n1 1091062517 VGOQBGHGVMBHGR-MNOVXSKESA-N 305.338 -0.777 30 20 DBED CO[C@H](C(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@@H]1O)C(C)C 1091179475 VEYIYCPDIZXHTD-DYEKYZERSA-N 319.365 -0.315 30 20 DBED C#CCNC1CC(CNC(=O)[C@@H]2CCc3nnnn3CC2)C1 1091243445 JBRWYZHCABGNRT-OTTFEQOBSA-N 302.382 -0.257 30 20 DBED CCNC(=O)CC(=O)N[C@H]1CCN(c2cnc(C#N)cn2)[C@@H]1C 1091965715 NTDAQECBKVDNNO-PWSUYJOCSA-N 316.365 -0.042 30 20 DBED CCS(=O)(=O)CC(=O)N1CCN(c2ccnc(C#N)n2)CC1 1093158648 FLKTUGNPLXQUMH-UHFFFAOYSA-N 323.378 -0.568 30 20 DBED CC(C)S(=O)(=O)CC(=O)NCCNc1cnc(C#N)cn1 1093645512 FQYTYLUBSXMNJT-UHFFFAOYSA-N 311.367 -0.300 30 20 DBED Cn1ccnc1COCC(=O)NCCN=c1cc[nH]c(C#N)n1 1093960874 OWYYBWDJTONQIT-UHFFFAOYSA-N 315.337 -0.751 30 20 DBED N#Cc1nccnc1NCCNC(=O)c1coc(C(N)=O)c1 1094020040 KEHJXSMZPVXODM-UHFFFAOYSA-N 300.278 -0.118 30 20 DBED N#Cc1cncc(NCCNC(=O)[C@H]2CN3CCC[C@@H]3CO2)n1 1094203074 KMNLRUXVAQKLCR-CHWSQXEVSA-N 316.365 -0.260 30 20 DBED Cc1cc(=NCCNC(=O)c2nnc(O)nc2O)c(C#N)c[nH]1 1094253773 YERWEIOZEIIHOZ-UHFFFAOYSA-N 315.293 -0.878 30 20 DBED N#CCN1CC(N2C[C@@H](NC(=O)c3ccns3)CC2=O)C1 1094744285 QSUTYKQQXGDIOW-VIFPVBQESA-N 305.363 -0.318 30 20 DBED C#CCCN1CC(N2C[C@H](NC(=O)c3ccncn3)CC2=O)C1 1094799622 MTIWCOOKDPBHNP-GFCCVEGCSA-N 313.361 -0.485 30 20 DBED CCNC(=O)CCC(=O)N1CC[C@H](N=c2cc[nH]c(C#N)n2)C1 1096924751 FWOLLKMZJNFOEV-NSHDSACASA-N 316.365 -0.301 30 20 DBED C[C@H](CC(=O)N[C@H]1C[C@@H](Nc2nccnc2C#N)C1)NC(N)=O 1097225531 ZWUJEGQYUGONEN-BBBLOLIVSA-N 317.353 -0.146 30 20 DBED Cc1cc(C#N)nc(N2CCC[C@@H](CNC(=O)CC(N)=O)C2)n1 1097289909 ULTUXMAEJCEYSC-NSHDSACASA-N 316.365 -0.135 30 20 DBED CC(=O)N1CC(C(=O)NC[C@H](C)Nc2nccnc2C#N)C1 1097780153 SZNIVISIBMVXRY-VIFPVBQESA-N 302.338 -0.257 30 20 DBED C[C@@H](CNC(=O)[C@@]1(C)CCNC1=O)N=c1cc[nH]c(C#N)n1 1098260678 HKYWIYWDVDKLIF-XPTSAGLGSA-N 302.338 -0.787 30 20 DBED CC(C)C(=O)N(C)CC(=O)NC[C@H](C)N=c1cc[nH]c(C#N)n1 1098348634 QBIULFDEAWJFPG-NSHDSACASA-N 318.381 -0.199 30 20 DBED C=CCN(CCO)C1CCN(C(=O)[C@@H](C)S(C)(=O)=O)CC1 1098406893 YNXQRMLGOGEEAO-GFCCVEGCSA-N 318.439 -0.109 30 20 DBED C=CCN(CCO)C1CCN(C(=O)[C@H]2CCC(=O)NC2)CC1 1098417183 YIZKVMFJGCTONT-ZDUSSCGKSA-N 309.410 -0.016 30 20 DBED CC(C)(C(N)=O)C(=O)N1CC[C@@H](n2cc(CNCC#N)nn2)C1 1098682981 MFTOBERKBQFYEI-LLVKDONJSA-N 319.369 -0.824 30 20 DBED C[C@@H](CCNC(=O)[C@H]1COC(=O)N1)Nc1cncc(C#N)n1 1099078585 ZTYOQWPVNZVQPY-WCBMZHEXSA-N 304.310 -0.237 30 20 DBED C[C@@H](CC(=O)NCC[C@@H](C)N=c1cc[nH]c(C#N)n1)NC(N)=O 1099545451 GAGHCURLDPRMFL-ZJUUUORDSA-N 319.369 -0.476 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(CCOCCOC)C[C@H]1O 1099739045 WCTOKKFIAJKEJY-ZIAGYGMSSA-N 316.398 -0.597 30 20 DBED CCNC(=O)CN1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)[C@H](O)C1 1099783900 YADRUXCZHUQSIE-QWHCGFSZSA-N 319.365 -0.813 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CCc2ccnn2C)[C@@H](O)C1 1099861644 WTYGWTBKGMGOLF-CABCVRRESA-N 304.394 -0.073 30 20 DBED Cc1ncc(CC(=O)NCC2CC(NCC(=O)NCC#N)C2)o1 1100404452 BXLUDWYADIDLCK-UHFFFAOYSA-N 319.365 -0.350 30 20 DBED CCN(CCNC(=O)[C@@H]1CN(C)CCO1)c1cncc(C#N)n1 1100495834 HPIIWLAGTYNSSX-ZDUSSCGKSA-N 318.381 -0.379 30 20 DBED CCN(CCNC(=O)c1nnn(C)n1)c1nc(C)cc(C#N)n1 1100679022 GTKWAXIKDOBIPN-UHFFFAOYSA-N 315.341 -0.564 30 20 DBED N#Cc1nccc(N2CCC[C@H]2CNC(=O)Cc2nc[nH]n2)n1 1100860464 FDLMITDKFLFDEQ-JTQLQIEISA-N 312.337 -0.206 30 20 DBED COCC#CCN1C[C@@H](C)[C@H](CNC(=O)[C@]2(C)CCNC2=O)C1 1102364737 ZHEYNTVWRRSADR-CKEIUWERSA-N 321.421 -0.154 30 20 DBED N#CCNCc1cn(C2CN(C(=O)[C@@H]3CCCCO3)C2)nn1 1105211277 MRRMDQYFMNICBG-ZDUSSCGKSA-N 304.354 -0.156 30 20 DBED N#Cc1cnc(NC[C@@H]2CCC[C@H]2NC(=O)CNC(N)=O)cn1 1105654194 GTHOOVISNKYLPH-GXSJLCMTSA-N 317.353 -0.287 30 20 DBED Cc1[nH]nc(C(=O)NC[C@H](O)CNc2nccnc2C#N)c1C 1105761967 JIUSBSUPJDTPPZ-SNVBAGLBSA-N 315.337 -0.109 30 20 DBED N#Cc1cncc(NC[C@@H](O)CNC(=O)CN2CCCC2)n1 1105856149 OOOTVZKYBNHYCP-GFCCVEGCSA-N 304.354 -0.667 30 20 DBED N#Cc1cnc(NC[C@H](O)CNC(=O)Cc2cnoc2)cn1 1106070001 HPHZGCDCIDDNLQ-NSHDSACASA-N 302.294 -0.532 30 20 DBED N#Cc1cccnc1NC[C@H](O)CNC(=O)CCc1cnn[nH]1 1106123511 OPXCDPOUWUPTAB-GFCCVEGCSA-N 315.337 -0.407 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)[C@H]2COCCN2C(C)=O)C[C@H]1C 1107004895 QXXVUSLTEZUKDQ-FVQBIDKESA-N 321.421 -0.059 30 20 DBED COCC#CCN1CC(n2cc(CNC(=O)COC)nn2)C1 1107109233 PRPUKDJVYWBDAS-UHFFFAOYSA-N 307.354 -0.953 30 20 DBED C#CCNC(=O)CC(=O)NCc1cn(C2CN(C(C)C)C2)nn1 1107160953 QVGGFZQYLGDDOQ-UHFFFAOYSA-N 318.381 -0.701 30 20 DBED N#Cc1ccc(NC/C=C\CNC(=O)C(=O)NCC(F)F)nn1 1107403144 SZHBFVZOHAUYHH-UPHRSURJSA-N 324.291 -0.186 30 20 DBED C[C@@H](C#N)C(=O)NC[C@]1(C)CN(Cc2ncnn2C)CCO1 1107821742 UQZRKSXBLVCRQS-SMDDNHRTSA-N 306.370 -0.318 30 20 DBED C#CCNC(=O)CN1CCO[C@@](C)(CNC(=O)C2(C)CC2)C1 1107959387 JRNOAIMUCFFSRR-INIZCTEOSA-N 307.394 -0.257 30 20 DBED C#CCCN1CCO[C@](C)(CNC(=O)C(=O)NCC(F)F)C1 1108040911 WMVKYPMSUZLGOR-CQSZACIVSA-N 317.336 -0.402 30 20 DBED C#CCCN1CCO[C@](C)(CNC(=O)[C@]2(C)CNC(=O)C2)C1 1108093339 TZUKKSLCUWYNEN-JKSUJKDBSA-N 307.394 -0.257 30 20 DBED Cc1ccn(CC(=O)NC[C@]2(C)CN(CC#N)CCO2)c(=O)c1 1108250304 QFSSNDNINMUAEU-MRXNPFEDSA-N 318.377 -0.113 30 20 DBED C[C@@H](CNc1cncc(C#N)n1)NC(=O)[C@H]1CN(C)CCO1 1108303452 SOSBENLBOCOQHJ-CMPLNLGQSA-N 304.354 -0.405 30 20 DBED C[C@]1(CNC(=O)c2cncc(C(N)=O)c2)CN(CC#N)CCO1 1108402751 MXCKLXMRFQJWGK-HNNXBMFYSA-N 317.349 -0.475 30 20 DBED C=CCCO[C@H](C)C(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1 1108518025 RCOARLQLLCCDFB-OLZOCXBDSA-N 320.393 -0.108 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)CC(=O)NCC)CC2=O)C1 1108538462 HVSSWWYXNJXQAK-NSHDSACASA-N 308.382 -0.900 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CC(=O)N(C2CN(CCCO)C2)C1 1108544909 LCKFAEWXZRPXOO-CYBMUJFWSA-N 305.378 -0.817 30 20 DBED C[C@H](CN(C)c1ccnc(C#N)n1)NC(=O)Cn1cnnc1O 1108944572 FUGHVMZNHYNAMT-SECBINFHSA-N 316.325 -0.714 30 20 DBED C[C@@H](CN(C)c1ccnc(C#N)n1)NC(=O)[C@H]1CCC(=O)N1C 1109187617 OCRCZFFYWMSMIA-WDEREUQCSA-N 316.365 -0.090 30 20 DBED C[C@H](CN(C)c1cnc(C#N)cn1)NC(=O)[C@H]1CN(C)C(=O)N1 1109193128 AICMJTYZRZDFPB-MWLCHTKSSA-N 317.353 -0.687 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H](NC(=O)CCNC(N)=O)C1CC1 1109850130 ODLQRODIPXETEP-CYBMUJFWSA-N 316.365 -0.260 30 20 DBED N#Cc1nccc(NC2(CNC(=O)[C@H]3COC(=O)N3)CC2)n1 1110121977 UJINBSLFTWFVJP-MRVPVSSYSA-N 302.294 -0.483 30 20 DBED N#CCN1C[C@@H]2CCC[C@]2(NC(=O)C(=O)NCC(F)F)C1 1111794661 DKQOQAFLRZLPNW-ZANVPECISA-N 300.309 -0.138 30 20 DBED CCCOCC(=O)NC[C@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1112709069 DWCJPAWTMKKBEL-RYUDHWBXSA-N 319.365 -0.312 30 20 DBED C#CCNC(=O)CC(=O)N1CCN(CC(=O)N[C@H](C)CC)CC1 1112773944 CIUUSTJZLYUBKK-CYBMUJFWSA-N 322.409 -0.815 30 20 DBED C[C@@H](N=c1cc[nH]c(C#N)n1)[C@@H](C)NC(=O)c1cnc(O)n1C 1113255627 KIVVMASFIAZBRI-RKDXNWHRSA-N 315.337 -0.172 30 20 DBED CCCCO[C@H](C)C(=O)NC1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]12 1113999539 PUZKHGFTPZDGPB-JHJVBQTASA-N 322.409 -0.122 30 20 DBED CCNC(=O)NC(=O)CN1C[C@@H]2C(NC(=O)C#CC3CC3)[C@H]2C1 1114252910 DXOXVKHGDIDXNI-RYUDHWBXSA-N 318.377 -0.708 30 20 DBED C#CCOCCC(=O)N[C@H]1[C@@H]2CN(CC(=O)N3CCCC3)C[C@@H]21 1114263387 UQKRWOZATYKJII-HALDLXJZSA-N 319.405 -0.305 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H]1[C@@H]2CN(CC(=O)NC(C)C)C[C@@H]21 1114271639 YPUAQDDWZATZEE-RMRHIDDWSA-N 307.394 -0.404 30 20 DBED COCCC1(C(=O)N[C@H]2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]32)CC1 1114386811 GQFKMMRYYWRVOV-IMRBUKKESA-N 320.393 -0.511 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)c3cc4n(n3)CCO4)[C@H]2C1 1114412219 SWTLNCZIWZZUPF-JYAVWHMHSA-N 316.361 -0.415 30 20 DBED C=CCOCCN1C[C@@H]2C(NC(=O)[C@]3(C)CCC(=O)N3)[C@H]2C1 1114787240 ODWQPCQMKSKGRE-MKBNYLNASA-N 307.394 -0.096 30 20 DBED COCC#CCN1C[C@@H]2C(NC(=O)c3ccc(C(N)=O)[nH]3)[C@H]2C1 1114843391 NGNUVYOLRWFVPA-QWRGUYRKSA-N 316.361 -0.577 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@H]3OCC[C@H]3C)[C@H]2C1 1114855786 DOCQWXMVJVAXHV-MUGBGTHKSA-N 307.394 -0.240 30 20 DBED CCn1cccc1C(=O)NC1[C@H]2CN(CC(=O)NCC#N)C[C@H]12 1115248058 QGRPJHWOMWPKIG-RYUDHWBXSA-N 315.377 -0.192 30 20 DBED CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCCNC(=O)C1 1119029435 ZICHKEQTZJRJLB-UHFFFAOYSA-N 314.345 -0.135 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)c2cc[n+]([O-])cc2)nc1 1121011212 VPTQCIRJKKOYHC-CYBMUJFWSA-N 313.317 -0.211 30 20 DBED Cc1ncsc1C(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1 1121099212 FDHNRUHVMNDEKH-SECBINFHSA-N 318.362 -0.262 30 20 DBED Cn1nncc1C(=O)NC[C@H](CO)Nc1ncc(C#N)cc1F 1121387862 VUPUSJYHGBTNJR-SECBINFHSA-N 319.300 -0.576 30 20 DBED Cn1cnc(C(=O)NC[C@H](CO)Nc2ncc(C#N)cc2F)n1 1121438892 AWZYKCWJRCIWHZ-SECBINFHSA-N 319.300 -0.576 30 20 DBED Cn1ccc(C(=O)NC[C@H](CO)Nc2ccc(C#N)cn2)n1 1121581976 UFSMOCNBJKKEJJ-LLVKDONJSA-N 300.322 -0.110 30 20 DBED CCn1ccc(C(=O)NC[C@H](CO)Nc2nccnc2C#N)n1 1122053505 YVXZVGWHGUJKDS-SNVBAGLBSA-N 315.337 -0.233 30 20 DBED C=CCCn1cc(C(=O)NC[C@@H](CO)Nc2ncccn2)nn1 1122696443 RMQVHEHZCPLAPT-NSHDSACASA-N 317.353 -0.153 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)c1cnsn1 1124090591 KFWBKCNRMXJOSG-MRVPVSSYSA-N 319.350 -0.833 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](O)CN(C)C(=O)[C@@H]2CCOC2)n1 1124141125 QGHDGLIMMWUONE-DGCLKSJQSA-N 319.365 -0.076 30 20 DBED C[C@H](C#N)C(=O)NCCNCc1nnc(S(C)(=O)=O)s1 1124897286 SEZXHRNKJSPTER-SSDOTTSWSA-N 317.396 -0.693 30 20 DBED CN(C[C@@H](O)CN(C)c1cnc(C#N)cn1)C(=O)c1cnn[nH]1 1125373847 JUVGTSOAXZPFFQ-JTQLQIEISA-N 316.325 -0.964 30 20 DBED C#CCCCC(=O)NCCNCCCS(=O)(=O)CCOC 1126343965 MFZRJIBHRBGXOX-UHFFFAOYSA-N 318.439 -0.053 30 20 DBED CN(CCOCCNc1ncc(C#N)cc1F)C(=O)CC(N)=O 1127247797 LHHAORJQAMADLD-UHFFFAOYSA-N 323.328 -0.145 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NCCN[C@H]1CCC(=O)NC1=O 1127604616 HVZAXXZGUCFZAX-WOPDTQHZSA-N 309.366 -0.521 30 20 DBED C=CCNCc1cccc(N2CC[C@H](NC(=O)CC(N)=O)C2)n1 1128096569 LTQAOMZMFVUUAQ-ZDUSSCGKSA-N 317.393 -0.073 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1nc[nH]c1C(F)(F)F 1129535200 LKKPGAGVBCZQNA-UHFFFAOYSA-N 318.259 -0.612 30 20 DBED C#CCCN[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1c1cn(C)cn1 1130695229 HUTCDTYEBHYJNR-WCQYABFASA-N 313.365 -0.241 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1csc(NC(C)=O)n1 1130757122 RKWAEMIAUSXWJX-UHFFFAOYSA-N 323.378 -0.830 30 20 DBED C=CCCCC(=O)N1CCC(=O)NCCN([C@@H](C)C(N)=O)CC1 1131378551 FETYOBGHYZAXJD-ZDUSSCGKSA-N 324.425 -0.133 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)CCC(F)F 1131393930 CWEYYCUXIZBCNF-UHFFFAOYSA-N 306.313 -0.251 30 20 DBED CC#CCN1CC[C@]2(C1)CN(C(=O)CNC(=O)NC)C[C@H](C)O2 1131665876 KJHBTKVJRDVARP-BBRMVZONSA-N 322.409 -0.370 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)CCc1ccccn1 1132266416 PLVJVEIGZXKNJK-ZDUSSCGKSA-N 302.378 -0.142 30 20 DBED C=CCNC(=O)CNC[C@H]1CN(C(=O)CC(=O)NC)CC[C@H]1C 1132773616 NJFGVYKHGRACEU-OLZOCXBDSA-N 324.425 -0.501 30 20 DBED C#CCNC[C@H]1CN(C(=O)Cn2c(O)nnc2O)CC[C@H]1C 1133271394 PCGZFYURQIDPLG-MNOVXSKESA-N 307.354 -0.603 30 20 DBED CC#CCN[C@H](C)C[C@H](C)NC(=O)Cn1nc(C)n(C)c1=O 1136054203 ICAMXMVQPPNYLL-NEPJUHHUSA-N 307.398 -0.214 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)[C@](C)(NC(C)=O)C1CC1 1147458132 KLIUZPLJJGSVBE-MEDUHNTESA-N 324.425 -0.312 30 20 DBED N#CCN1CCC2(C1)CN(C(=O)CNC(=O)c1ccccn1)C2 1148820631 YAUPCZGKVRWZGJ-UHFFFAOYSA-N 313.361 -0.131 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(CC(=O)NC2CC2)CCCO1 1149694745 TYNFPSREKTUABD-HNNXBMFYSA-N 319.405 -0.115 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)CC[C@@]1(C)CCC(=O)N1 1153906331 RWBAZTLZRLVYOW-WBMJQRKESA-N 324.425 -0.168 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)CNC(=O)CCC 1155285379 NFCRTSIFAAEIBV-LBPRGKRZSA-N 312.414 -0.311 30 20 DBED C=CCCC(=O)NCCCNCC(=O)N1CCC(C(N)=O)CC1 1155586919 PXUSMDSQNDRFPW-UHFFFAOYSA-N 324.425 -0.228 30 20 DBED CCN(CC#N)[C@H](C)CNC(=O)c1cc(=O)n2[nH]cnc2n1 1156359071 JNFZNBPGGLUTJN-SECBINFHSA-N 303.326 -0.619 30 20 DBED N#CCNC(=O)CNCCCNC(=O)C1(F)CCOCC1 1159517930 NFJMFUSNPGCIRQ-UHFFFAOYSA-N 300.334 -0.759 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)[C@@]2(F)CCOC2)C1=O 1164559474 POELEGUPFGEMJZ-SWLSCSKDSA-N 313.373 -0.002 30 20 DBED C[C@H](N[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1)C(=O)NC(N)=O 1182067980 VWUCBZQUWUQPDQ-WCBMZHEXSA-N 318.337 -0.726 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)CC(=O)NCC)C1 1182145828 XWYQLBDKVKKEFJ-NWDGAFQWSA-N 310.398 -0.606 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1184483874 WVIPRPZXYSFQEO-XUWVNRHRSA-N 322.405 -0.122 30 20 DBED CC#CCN[C@@H]1CCN(C(=O)C2(n3cnnn3)CCOCC2)C1 1186234553 KFYRJLGSCVTISL-CYBMUJFWSA-N 318.381 -0.607 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@H](N(C)CCN2CCNC2=O)C1 1190106424 TZENLWIYALBLFY-KBPBESRZSA-N 322.409 -0.417 30 20 DBED CO[C@@H]1CC[C@@H](C(=O)N2CCCN(CC(=O)NCC#N)CC2)C1 1196376688 VJVYCQOTTAGART-ZIAGYGMSSA-N 322.409 -0.024 30 20 DBED Cc1nnccc1C(=O)N1CCCN(CC(=O)NCC#N)CC1 1196423825 POROKSIZLPEOOQ-UHFFFAOYSA-N 316.365 -0.427 30 20 DBED COc1ncc(C(=O)N2CCCO[C@@H](CNCC#N)C2)cn1 1201774316 HJNFUBOLNNDEEH-LBPRGKRZSA-N 305.338 -0.171 30 20 DBED COCC#CCNC1CCN(C(=O)[C@H]2CN(C)C(=O)N2)CC1 1201966414 FNTWKMWIEHBAJI-CYBMUJFWSA-N 308.382 -0.760 30 20 DBED CC#CCNC1CCN(C(=O)c2nccnc2C(N)=O)CC1 1203633232 PDLIOXMUYPLJLX-UHFFFAOYSA-N 301.350 -0.207 30 20 DBED N#CCNC(=O)CNCC1CCN(C(=O)c2cn[nH]c2)CC1 1204596116 QBILCYYKTODBSE-UHFFFAOYSA-N 304.354 -0.509 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)CC[C@H](C)OC)[C@H](C)C1 1206894865 WQNJJJBFJSSSMQ-HZSPNIEDSA-N 309.410 -0.013 30 20 DBED CO[C@@H]1CN(Cc2nnn(C)n2)C[C@H]1NC(=O)C#CC(C)C 1212234298 VXQLUGRWEAZCNT-VXGBXAGGSA-N 306.370 -0.815 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)[C@@H]2CC23CC3)[C@H](OC)C1 1213487471 DORXUHNSWSPOTR-YNEHKIRRSA-N 305.378 -0.649 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)CN2CCOCC2)C[C@H]1C 1214454367 JMLLYZGVYCHMJB-HUUCEWRRSA-N 309.410 -0.595 30 20 DBED C[C@H](O)CCCN1C[C@H](O)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 1219469522 QFSIENUYXDIIQG-GDLCADMTSA-N 306.366 -0.178 30 20 DBED C[C@H](NC(=O)CC(F)(F)F)C(=O)N[C@@H]1CN(CC#N)C[C@@H]1O 1219682039 BCGVBPTUJHWZJM-YIZRAAEISA-N 322.287 -0.872 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)c2nccs2)C1 1220598339 ZQBWUAJMIDLQNG-MXWKQRLJSA-N 324.406 -0.391 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)Cc2cnoc2)CC1 1228801067 HVIIPBMWPXMBOL-UHFFFAOYSA-N 304.350 -0.453 30 20 DBED C[C@@H](CO)N(C[C@@H](C)O)C(=O)C(=O)NCc1ccc(C#N)cc1 1257773782 CSFBULFXSIQLCQ-NWDGAFQWSA-N 319.361 -0.235 30 20 DBED Cc1csc(CCNC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)n1 1261463860 CHDZXPVUOAGSLS-AWEZNQCLSA-N 322.390 -0.013 30 20 DBED C=CCn1cc(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)OC)nn1 1261500982 MASLYXPAUGOKPR-JTQLQIEISA-N 304.310 -0.299 30 20 DBED CN(CCNS(C)(=O)=O)CC(=O)N[C@](C)(C#N)C1CC1 1318494123 RFBAHENBKJLACE-GFCCVEGCSA-N 302.400 -0.724 30 20 DBED CC1=CC(=O)[C@H](C(=O)/C=C\c2cn(CC(=O)O)nn2)C(=O)O1 1319624148 WEHCLFXPOIKMNG-DLGQBQFBSA-N 305.246 -0.409 30 20 DBED C#CCNC(=O)C1CCN(C(=O)NC[C@@H](COC)OC)CC1 1321776307 ZAXHDMIXLIFJHS-ZDUSSCGKSA-N 311.382 -0.181 30 20 DBED C#CCSCCNC(=O)C(=O)N[C@H]1CCN(CCOC)C1 1322549094 BBGMUKRKHNFHSM-LBPRGKRZSA-N 313.423 -0.694 30 20 DBED Cc1cc(NC(=O)C(=O)N2CCNC(=O)C2)n(CCC#N)n1 1322800415 FNTTVQYDWLKFOF-UHFFFAOYSA-N 304.310 -0.998 30 20 DBED C=C(C)COCCNC(=O)C(=O)N[C@H](C)[C@H]1CN(C)CCO1 1323863308 KYPZAYSLAKRONL-CHWSQXEVSA-N 313.398 -0.469 30 20 DBED C#CC1CCN(C(=O)C(=O)N2CC[C@@H]3NC(=O)CC[C@@H]3C2)CC1 1328258165 GXQHAIKUMWCSJI-KGLIPLIRSA-N 317.389 -0.015 30 20 DBED C=CCN(C(=O)C(=O)N1CC[C@](F)(CO)C1)[C@H](C)COC 1328282116 NZQJKOXWLHURCO-BXUZGUMPSA-N 302.346 -0.031 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)CCN1C1CC1 1330017082 OAZDYMAAYMXUOZ-SYQHCUMBSA-N 318.377 -0.379 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)c2ncc(C)o2)CC1 1330066310 NATDFFYAIFKNRH-UHFFFAOYSA-N 312.351 -0.792 30 20 DBED C=CCNC(=O)Cn1nnnc1N(C)CC1(N(C)C)CCC1 1334636586 ZQSYJDFWYXKBIQ-UHFFFAOYSA-N 307.402 -0.104 30 20 DBED C[C@H](CNC(=O)C(=O)N1CCO[C@@H](C#N)C1)Cn1cccn1 1340710774 SFYYOZCAAQRIIE-NEPJUHHUSA-N 305.338 -0.614 30 20 DBED C#CCN(CC#CC)C(=O)c1cnn2c1S(=O)(=O)N(C)CC2 1346774091 AMPKBSBVYYOTTF-UHFFFAOYSA-N 320.374 -0.384 30 20 DBED CC[C@@]1(O)CCN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1 1351849553 UJOPMFDTCYYUGP-CZUORRHYSA-N 320.393 -0.441 30 20 DBED CC[C@@](C)(NC(=O)Cn1cc(C#N)c(O)nc1=O)C(=O)OC 1362016762 OXILLYCIPYMUBA-CYBMUJFWSA-N 308.294 -0.722 30 20 DBED N#Cc1cn(CCNC(=O)[C@H](F)C(F)(F)F)c(=O)nc1O 1363130566 YUJPSXJWIOHTQF-LURJTMIESA-N 308.191 -0.163 30 20 DBED N#Cc1cn(CC(=O)N2CCN(C(=O)c3ccco3)CC2)nn1 1363189667 SVIREEGTILWKGK-UHFFFAOYSA-N 314.305 -0.273 30 20 DBED CC1(C#N)CN(S(=O)(=O)C[C@@H]2CCCS(=O)(=O)C2)C1 1364825558 GITYKPRFIVPTFQ-SNVBAGLBSA-N 306.409 -0.014 30 20 DBED C[C@@H]1CN(Cc2cc(O)n3ncc(C#N)c3n2)C[C@@H](CO)O1 1365295347 LERJXDNULNFNCY-SKDRFNHKSA-N 303.322 -0.112 30 20 DBED N#CCCN(CCC#N)C(=O)CN(CC(N)=O)C1CCOCC1 1365327729 PLCCCONZARMVBU-UHFFFAOYSA-N 321.381 -0.391 30 20 DBED CN(C[C@@H](O)CNC(=O)c1c[nH]c(C#N)c1)C(=O)c1ccon1 1370962931 JLKINZZOYUMQEB-NSHDSACASA-N 317.305 -0.263 30 20 DBED CNC(=O)NC(=O)[C@H](C)N(CCNC(=O)[C@H](C)C#N)C1CC1 1372776728 LIUNXCKQYWICLC-ZJUUUORDSA-N 309.370 -0.429 30 20 DBED C[C@H](C#N)C(=O)N(C)CCN(C)CC(=O)NC[C@H]1CCCO1 1392266435 SMDADTMFQBLUPN-CHWSQXEVSA-N 310.398 -0.169 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)c2cncnc2)C1 1394635386 SMUCZSVNWKEGHD-QMTHXVAHSA-N 303.322 -0.671 30 20 DBED CCCN(CCNC(=O)[C@H](C)S(C)(=O)=O)C(=O)[C@H](C)C#N 1398254274 ZFURCRVSYNPLSY-MNOVXSKESA-N 317.411 -0.066 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CCCN(C(=O)c2c[nH]c(=O)cn2)C1 1407408368 INCAKRUNYAIZKG-UWVGGRQHSA-N 303.322 -0.350 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C)C(=O)c1cccn2c(O)nnc12 1408674228 TVVMANCQALRMOK-VIFPVBQESA-N 316.321 -0.217 30 20 DBED N#Cc1cn(CCC(=O)N2CCSC[C@H]2C#N)c(=O)nc1O 1411979665 ZCGDMHCKBDPDFS-SNVBAGLBSA-N 319.346 -0.322 30 20 DBED CN(C[C@H](O)C1CC1)C(=O)CCn1cc(C#N)c(O)nc1=O 1412647149 RIGCPHOFTDMYPK-NSHDSACASA-N 306.322 -0.560 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CC[C@@H](CS(N)(=O)=O)C1 1414353832 BJWDOJCHIKOETD-SNVBAGLBSA-N 324.428 -0.923 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNCC(=O)NCCC(C)(C)C 1422263424 IFINZQUTWNLHNI-NEPJUHHUSA-N 312.414 -0.235 30 20 DBED CCNC(=O)CCC(=O)N[C@H]1[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]21 1430338617 YQIPWBIHRVYRAP-KZWBYHQPSA-N 306.366 -0.365 30 20 DBED C[C@@H](C#N)C(=O)N(C)C1CCN(C(=O)Cn2cncn2)CC1 1443572039 UUKXWCLYSVQNTA-NSHDSACASA-N 304.354 -0.113 30 20 DBED COC1(CC(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2O)CCC1 1445490847 NWGZDGNIJBPCAV-IJLUTSLNSA-N 309.366 -0.207 30 20 DBED C[C@H](C#N)C(=O)N1CCN(CCNC(=O)C[C@@H]2CCOC2)CC1 1446915673 SHYSCMXNHDEQJK-KGLIPLIRSA-N 322.409 -0.167 30 20 DBED C[C@@H](C#N)C(=O)NCC1CN(C(=O)[C@@H]2CCc3nncn3C2)C1 1450714357 QEACBHITXUWKLU-CMPLNLGQSA-N 316.365 -0.425 30 20 DBED C[C@@H](CNC(=O)c1cccn2nnnc12)NC(=O)[C@@H](C)C#N 1452967035 BDSIDPAQSGNUGB-IUCAKERBSA-N 301.310 -0.482 30 20 DBED CCN(CCNC(=O)CCS(=O)(=O)NC)C(=O)[C@@H](C)C#N 1455576337 IISVQVNOQZOTPB-JTQLQIEISA-N 318.399 -0.950 30 20 DBED CCN(CCNC(=O)[C@@H](C)CS(C)(=O)=O)C(=O)[C@H](C)C#N 1455599504 SDMWIAHVEIFRRR-MNOVXSKESA-N 317.411 -0.209 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCCN(CCOCCO)C2)nn1 1479911056 BNTQHMXAIKNHIQ-CYBMUJFWSA-N 323.397 -0.333 30 20 DBED CCn1ncnc1CN1CCN(CCNC(=O)[C@@H](C)C#N)CC1 1490485146 CICHRWBOKDEUEY-ZDUSSCGKSA-N 319.413 -0.309 30 20 DBED C#CCNC(=O)CNCC[C@@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 1501638278 UZYLRXUGKURQAU-HUUCEWRRSA-N 322.453 -0.096 30 20 DBED C=C(Cl)CNC[C@@H](O)CN(C)C(=O)[C@@H]1CCC(=O)N1C 1507497609 OETPILVMJYNZCQ-MNOVXSKESA-N 303.790 -0.231 30 20 DBED C[C@@H](OCc1cnn[nH]1)C(=O)NC[C@@H]1COCCN1CC#N 1575864810 YAFDCEMNZIQMOU-ZYHUDNBSSA-N 308.342 -0.950 30 20 DBED C[C@H]1CN(CCNc2cnc(C#N)c(-c3nn[nH]n3)n2)CCO1 1576360379 KXLANNWCISRTGK-VIFPVBQESA-N 315.341 -0.339 30 20 DBED C[C@@H]1CN(c2cnc(-c3nn[nH]n3)c(C#N)n2)C[C@@H](C)C1O 1576364976 MVXMWBWYIORJLO-HTQZYQBOSA-N 300.326 -0.019 30 20 DBED N#C[C@@H]1CNC[C@H]1NC(=O)N1CCC(n2cnnc2O)CC1 1580044254 YTBBDECBOCCXJC-MWLCHTKSSA-N 305.342 -0.558 30 20 DBED N#Cc1cccc(-c2nn[nH]n2)c1NC[C@H]1CC(C(N)=O)=NO1 1592699513 CLZUWZSEOKNCRH-MRVPVSSYSA-N 312.293 -0.220 30 20 DBED CCS(=O)(=O)N[C@@H](C)C(=O)N1CCC(C#N)(C(=O)O)CC1 1597224100 KNLYJCIHRMLMLK-VIFPVBQESA-N 317.367 -0.469 30 20 DBED N#CC1(C(=O)O)CCN(CC2(O)CCS(=O)(=O)CC2)CC1 1608174037 GFFGMLDWNUUQAM-UHFFFAOYSA-N 316.379 -0.384 30 20 DBED C[C@H](CC#N)NC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 1649699541 GKIRHWBAIGBTAV-OUAUKWLOSA-N 313.379 -0.560 30 20 DBED CN(C)S(=O)(=O)CC(=O)N[C@@H]1CC12CCN(CC#N)CC2 1752430482 DRMNRSOBXSAFQE-LLVKDONJSA-N 314.411 -0.628 30 20 DBED CCn1nccc1C(=O)N1CC[C@@H](CNCC(=O)NCC#N)C1 1752934748 NTRQCMXCKSMAGK-LBPRGKRZSA-N 318.381 -0.406 30 20 DBED N#CCNC(=O)CNC[C@H]1CCN(C(=O)c2ccc(F)cn2)C1 1752935035 PLSGZEVOVKDWIT-LLVKDONJSA-N 319.340 -0.088 30 20 DBED C=CCNC(=O)CN1CC(NC(=O)c2nn(CC)nc2C)C1 1753394947 RDGXELYXAUIICK-UHFFFAOYSA-N 306.370 -0.677 30 20 DBED C=CCNC(=O)CN1CC[C@@H](N(CC)C(=O)c2ncn(C)n2)C1 1753454680 AXCJDIYTWNYMFV-GFCCVEGCSA-N 320.397 -0.346 30 20 DBED C#CCCN[C@@H]1CCN(C(=O)c2nnc(O)nc2O)C[C@H]1C 1753757816 WBVBAEMOGGUDER-NXEZZACHSA-N 305.338 -0.254 30 20 DBED C#CCNC(=O)[C@H](C)N1CC(N(C)C(=O)C2(COC)CC2)C1 1754577932 NXTYEJXAHLZWOP-LBPRGKRZSA-N 307.394 -0.307 30 20 DBED COCC#CCN1CC(O)(CNC(=O)CCc2nccn2C)C1 1754771414 YGTLTMPJCHXUMC-UHFFFAOYSA-N 320.393 -0.835 30 20 DBED C=CCN[C@@]1(CO)CCCN(C(=O)[C@@H]2COCCN2CC)C1 1755085669 LKGNVSVKWJSGQI-HOCLYGCPSA-N 311.426 -0.164 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H](C)N(C)CCn1cncn1 1755302732 GFWXZCCCZCHJJE-GJZGRUSLSA-N 318.425 -0.188 30 20 DBED C#CCCN[C@H](C)[C@@H]1CN(C(=O)CS(=O)(=O)CC)CCO1 1755448731 WORKSYXHVUKDMT-OLZOCXBDSA-N 316.423 -0.350 30 20 DBED COCC#CCNC[C@@H](O)CN(C)C(=O)c1c(C)cnn1C 1755785357 IHUVLWYBVDARFG-CYBMUJFWSA-N 308.382 -0.599 30 20 DBED CC#CCNC1CC(N(C)C(=O)C(C)(C)NS(C)(=O)=O)C1 1755862413 ICTJUNJYPVRJEF-UHFFFAOYSA-N 315.439 -0.084 30 20 DBED CC#CCCCC(=O)N(C)[C@@H](C)CNC(=O)Cn1ncnn1 1756030159 SRRUUFGTTQGWJQ-LBPRGKRZSA-N 306.370 -0.170 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H](CO)CNC(=O)Cn1cncc1C 1756537792 YBFLQYRTOBTSRS-DOMZBBRYSA-N 324.381 -0.888 30 20 DBED C=C[C@](C)(CC)C(=O)NC[C@@H](CO)NC(=O)CS(C)(=O)=O 1756548313 PFHQNCHPFSKYPR-GXFFZTMASA-N 320.411 -0.773 30 20 DBED C=C1CC(C)(C(=O)NC[C@@H](CO)NC(=O)c2cc[n+]([O-])cc2)C1 1756549013 SARFPZPSPAUZTJ-ZDUSSCGKSA-N 319.361 -0.117 30 20 DBED C=CC(C)(C)C(=O)NC[C@H](O)CN(C)C(=O)c1cnnn1C 1756661028 QNWMVOIDLQGJQP-JTQLQIEISA-N 309.370 -0.424 30 20 DBED CN(C[C@@H](O)CN(C)C(=O)C(C)(C)C(N)=O)C(=O)C#CC1CC1 1756689541 ZBRNKSFHWRUAAB-GFCCVEGCSA-N 323.393 -0.811 30 20 DBED C[C@@H]1CN(C(=O)[C@@H]2CCNC2=O)C[C@H]1NC(=O)C#CC1CC1 1757068496 ZASMWSNVPCBHPY-RAIGVLPGSA-N 303.362 -0.501 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@H](NC(=O)c2ccccn2)C1 1757150823 SKJBUAKUCOWGHG-OLZOCXBDSA-N 305.334 -0.414 30 20 DBED COC(=O)c1cc(/C=C/C(=O)c2cn(CC(=O)O)nn2)n(C)n1 1777114881 CWWASZJVACNXNU-ONEGZZNKSA-N 319.277 -0.221 30 20 DBED CC(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1786354623 JLXISJQIJUFVHZ-AVGNSLFASA-N 322.361 -0.290 30 20 DBED CS(=O)(=O)CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CC#N 1795461524 FYYAHKBZNUVUTL-JGPRNRPPSA-N 313.379 -0.417 30 20 DBED CC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)CC1 1800776108 VJWLQNMTTWVPKB-GNXNZQSNSA-N 320.345 -0.536 30 20 DBED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCCNC)CCO2 1835668265 OSMGMHMJMBIYLW-MRXNPFEDSA-N 323.393 -0.924 30 20 DBED COCCNC(=O)CN1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 152471471 FFWZJRWAWNOSLF-UHFFFAOYSA-N 319.365 -0.593 30 20 DBED N#Cc1ccccc1S(=O)(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1 269843532 QFERGCQLFRLENF-QWRGUYRKSA-N 309.347 -0.131 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)C(C)(C)OC)c1=O 280923154 GRIMECKKXRKRQF-UHFFFAOYSA-N 323.349 -0.462 30 20 DBED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCCNS(C)(=O)=O 281588372 VJSPNGDYCCPJQO-GHMZBOCLSA-N 305.400 -0.184 30 20 DBED C#CCN(CC#N)C(=O)CCNS(=O)(=O)c1cccnc1 282082593 UQMHOXKYAMNZPI-UHFFFAOYSA-N 306.347 -0.265 30 20 DBED CN1C(=O)C(/C(N)=N/OCc2cnn(C)n2)=C(N)C12CCCC2 289397613 NKUPWRFRKSOXAS-UHFFFAOYSA-N 319.369 -0.399 30 20 DBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(CC)C(=O)C1 292277265 HQBHBKPVXJIVHM-JSGCOSHPSA-N 323.393 -0.226 30 20 DBED C#CCNC(=O)CCN1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 293386841 GPJBXCFNRGNHAT-KBPBESRZSA-N 309.410 -0.011 30 20 DBED CN(/C(O)=N/CC1(S(C)(=O)=O)CCCC1)[C@@H]1COC[C@H]1O 329272652 AIIJNDRUOZDOCH-GHMZBOCLSA-N 320.411 -0.051 30 20 DBED C[C@@H](O)CN1CCN(C(=O)CNc2ccc(C#N)cn2)[C@H](C)C1 331085875 ZUMRAYMDJMXBFC-CHWSQXEVSA-N 317.393 0.279 30 20 DBED C[C@H](NS(=O)(=O)N1CCO[C@@H](C#N)C1)C(=O)NC(C)(C)C 336904533 DHKSAKVWRJWHJF-UWVGGRQHSA-N 318.399 -0.652 30 20 DBED N#Cc1cc(F)ccc1NC(=O)C(=O)NC[C@@]1(O)CCOC1 339154879 YRDUXJBTKGYLDQ-AWEZNQCLSA-N 307.281 -0.097 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCCCCOC)C1=O 340325133 OPOXHXSITDRBPQ-GFCCVEGCSA-N 311.382 -0.226 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCc2nccn2C)C1=O 342967004 AUONXOBABJCQBY-NSHDSACASA-N 319.365 -0.718 30 20 DBED N#CCCCCS(=O)(=O)NCCS(=O)(=O)NC1CC1 345018352 LIFKBPGZCZSOPA-UHFFFAOYSA-N 309.413 -0.319 30 20 DBED N#Cc1cccc(CNC(=O)CN2CCN(C(=O)CO)CC2)c1 348294498 WTVBSDCSCGZZSD-UHFFFAOYSA-N 316.361 -0.689 30 20 DBED N#Cc1ncn(CCNC(=O)Nc2ccc(C(N)=O)nc2)n1 349691406 HKIWOIRODIPDEK-UHFFFAOYSA-N 300.282 -0.535 30 20 DBED N#CCNC(=O)CNC(=O)N1CCC[C@@H](Cn2ccnn2)C1 358287355 CBDQFVQTLQOYIN-LLVKDONJSA-N 305.342 -0.661 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@@H]2CCCOCC2)C1=O 358331054 LBSMPWVVKVPCHD-CHWSQXEVSA-N 323.393 -0.083 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N1CCC[C@H](N2CCNC2=O)C1 368804869 JLNOAAKYFFLLOV-NEPJUHHUSA-N 323.397 -0.124 30 20 DBED N#Cc1c(F)cccc1N1CCN(C(=O)C(=O)NCCN)CC1 419823277 XJUWVYVEVJZQJI-UHFFFAOYSA-N 319.340 -0.579 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2C[C@H](C)N[C@H](C)C2)C1=O 423490271 HQCPCBIJZBAFHJ-XQQFMLRXSA-N 322.409 -0.560 30 20 DBED COC(=O)Cn1cc(CNC(=O)N[C@@H]2CC[C@H](C#N)C2)nn1 425465450 BFOHFAXLQHDRGA-VHSXEESVSA-N 306.326 -0.057 30 20 DBED COc1cc(C#N)ccc1NC(=O)C(=O)N1C[C@@H](O)C[C@H]1CO 527448174 KDBPXHURDSSYCO-QWRGUYRKSA-N 319.317 -0.541 30 20 DBED COc1cc(C#N)ccc1OCC(=O)N1CC(=O)N(C)C(=O)C1 550155156 IJHGMAJJHJVDRC-UHFFFAOYSA-N 317.301 -0.227 30 20 DBED C=CCOCC(=O)N1CCC(n2cnc(C(N)=O)c2N)CC1 566458820 VHSHSOKUXZBLTD-UHFFFAOYSA-N 307.354 -0.070 30 20 DBED N#Cc1ccc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)o1 569140782 NTPZHIZQVJHJBB-PSASIEDQSA-N 310.335 -0.916 30 20 DBED CO[C@H](CNC(=O)C(=O)NC1CCN(CC#N)CC1)C(C)C 588123906 NWFVLJZHXFEGSD-CYBMUJFWSA-N 310.398 -0.122 30 20 DBED C[C@H](O)CN(C)C(=O)CNS(=O)(=O)c1cccc(C#N)c1 589477801 MKNLUQQMAQHUQN-JTQLQIEISA-N 311.363 -0.324 30 20 DBED C=CCNC(=O)Cn1cc(CN2CCOCC2)cc(C#N)c1=O 590597118 IPONTPLXZYSYLV-UHFFFAOYSA-N 316.361 -0.146 30 20 DBED CS(=O)(=O)NC1CC(NC(=O)N2CC[C@@](O)(CC#N)C2)C1 592020881 HFRKKGHWRZWMLQ-CBINBANVSA-N 316.383 -0.873 30 20 DBED CN(C)CCN1C[C@H](C(=O)N2CC[C@](O)(CC#N)C2)CC1=O 592846524 WYTAYUVWSKOKMI-IUODEOHRSA-N 308.382 -0.726 30 20 DBED Cc1cc(NC(=O)Cn2nc(C)n(C)c2=O)n(CCC#N)n1 593969137 USVMAWNTKXSLFE-UHFFFAOYSA-N 303.326 -0.052 30 20 DBED CCN1CCCN(c2c(C#N)c(=O)n(C)c(=O)n2C)[C@@H](C)C1 596269632 VZCIIYOGBIDYBC-NSHDSACASA-N 305.382 -0.124 30 20 DBED C[C@@H](N)[C@H]1CCCN(C(=O)C(=O)N2CCN(CCC#N)CC2)C1 601580784 DHYFQXOZVCJBOI-KGLIPLIRSA-N 321.425 -0.370 30 20 DBED N#CCN(C(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)C1CC1 609167176 WZWVBTSFDQRVMK-ZDUSSCGKSA-N 320.393 -0.318 30 20 DBED CCS(=O)(=O)NCCNC(=O)NC1CCN(CC#N)CC1 609335922 LDQFAFQTGOJGPU-UHFFFAOYSA-N 317.415 -0.787 30 20 DBED Cn1cc([C@H]2NC(=S)NC(C(=O)O)=C2C(=O)C2CC2)nn1 738405815 PKZFHUOHCVGDEG-MRVPVSSYSA-N 307.335 -0.348 30 20 DBED CCNS(=O)(=O)[C@@H]1CCN(Cn2cccc(C#N)c2=O)C1 758247193 GUKMMJGHASZMHF-GFCCVEGCSA-N 310.379 -0.309 30 20 DBED C#C[C@H](C)N(C)C(=O)COCCOCC(=O)N(C)[C@@H](C)C#C 767258218 ZPOWUSPEVNBDIK-KBPBESRZSA-N 308.378 -0.020 30 20 DBED C#CCCN1CCC(NC(=O)[C@@H](NC(=O)C2CC2)[C@H](C)O)CC1 779522203 YHJAOMXWRNKGGY-WFASDCNBSA-N 321.421 -0.134 30 20 DBED CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)OCC(=O)NC(N)=O 780175847 DNJUUVKGQNQYRB-ZDUSSCGKSA-N 313.310 -0.014 30 20 DBED C#CCOCCNC(=O)C(=O)Nc1cc(C(=O)OCC)n(C)c1 785155011 BQHCKNVAIQVOQK-UHFFFAOYSA-N 321.333 -0.094 30 20 DBED C=C(C)CCOC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 803371987 LTEKLTOHDIYRAA-UHFFFAOYSA-N 315.351 -0.099 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@@H]1CCC[C@H]1C(=O)NC)[C@@H]1CCCO1 809240605 ZXLOOAIOSWCTNB-XQHKEYJVSA-N 321.377 -0.686 30 20 DBED N#CCNC(=O)COC(=O)c1cnn(-c2ccccn2)c1N 815309397 IHQOJUVGZCKGEO-UHFFFAOYSA-N 300.278 -0.354 30 20 DBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)O[C@@H]1CCOC1=O 821732052 QRNFSHWJLRBVDN-SECBINFHSA-N 324.314 -0.416 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H]1CCC[C@H]1NS(C)(=O)=O 826860796 MVQQERFUGDFTPP-GRYCIOLGSA-N 302.396 -0.141 30 20 DBED C/N=C(/NCCN1CCOCC1)NC[C@@]1(OC)CCOC1 849019488 SGSMXKIKBRCXPF-AWEZNQCLSA-N 300.403 -0.711 30 20 DBED COCCN(CCC#N)S(=O)(=O)NCCOC(=O)N(C)C 849446568 XMAYQVWTZBTKRO-UHFFFAOYSA-N 322.387 -0.619 30 20 DBED C#CCOCCN1CCN(S(=O)(=O)N=S(C)(C)=O)CC1 852139475 ASYOYRAEFMGUAQ-UHFFFAOYSA-N 323.440 -0.774 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)c2[nH]c(C)nc2C)CC1 857117851 VLOBRVCYDFPUHY-UHFFFAOYSA-N 317.393 -0.076 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCN(S(=O)(=O)C2CC2)CC1 862630869 HCSDVOROEVLPIE-NSHDSACASA-N 300.380 -0.339 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCc2c(cccc2S(N)(=O)=O)C1 879677623 PYONKALBXKLVBF-LLVKDONJSA-N 321.402 -0.170 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1C[C@H]2CN(C(C)=O)C[C@H]2C1 880307987 CDRJZAYKDQZKMD-WCFLWFBJSA-N 308.382 -0.203 30 20 DBED C=CCSCCNS(=O)(=O)CCS(=O)(=O)N(C)C 881825408 HEKMXVCBSKLMQG-UHFFFAOYSA-N 316.470 -0.284 30 20 DBED C#CCN1CCC[C@H](NC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)C1 885508193 CVGRPGHPUCMWBJ-QWHCGFSZSA-N 313.423 -0.088 30 20 DBED C#CC1(O)CN(C(=O)NCc2ccnc(OCCN(C)C)c2)C1 893913075 BAXGXCGTRAQOQN-UHFFFAOYSA-N 318.377 -0.089 30 20 DBED C#CCN1CCC[C@H](NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 905461769 RZNCEPJGRBEPKP-GXTWGEPZSA-N 307.354 -0.161 30 20 DBED C#CCN1CCC[C@@H](NC(=O)C2=C(C)OCCS2(=O)=O)C1 923570576 RMFSBYNJKRNYEE-GFCCVEGCSA-N 312.391 -0.123 30 20 DBED C#CCN1CCC[C@@H](N2C(=O)N[C@@H](Cc3cnc[nH]3)C2=O)C1 925325215 LCWBNJGWOQJGQX-OLZOCXBDSA-N 301.350 -0.030 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)Cn3nccn3)C2)[nH]1 937843121 RVQYZAYKJQZSKU-NSHDSACASA-N 313.321 -0.491 30 20 DBED C=CCN[C@@H]1CN(C(=O)c2cn(CC(=O)N(C)C)nn2)C[C@H]1C 939819585 KEPRKESXOMIGJG-VXGBXAGGSA-N 320.397 -0.398 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@H]2CNC(=O)[C@@H]2COC(=O)N2)c1 949690315 NUBSPVXDSJORLM-ONGXEEELSA-N 317.305 -0.675 30 20 DBED CN(C(=O)c1cn(C)nn1)C1CN(C(=O)c2cc(C#N)c[nH]2)C1 954208696 BJMHJOAGHUEIMU-UHFFFAOYSA-N 313.321 -0.389 30 20 DBED CC(=O)Nc1nc(C(=O)NC[C@H]2CN(CC#N)C[C@@H]2O)cs1 958199128 DFILSWDGRUIGDD-ONGXEEELSA-N 323.378 -0.352 30 20 DBED C=C1CCC(C(=O)NC[C@@H]2CN(CC(=O)NC)C[C@@H]2O)CC1 958368896 DSPNOIDYPJYNRF-KGLIPLIRSA-N 309.410 -0.112 30 20 DBED CC#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cn(CC3CC3)nn2)C1 958525801 KEIZMOVXKFGVJA-DZGCQCFKSA-N 317.393 -0.266 30 20 DBED Cc1conc1C(=O)N(C)[C@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1O 958962888 XZEKDXUWKBFRID-MIMYLULJSA-N 306.322 -0.214 30 20 DBED N#Cc1ccc(F)cc1CN1C[C@H]2C(NC(=O)C(N)=O)[C@@H]2C1 961635865 HAAFSZSHJGHDOA-VXGBXAGGSA-N 302.309 -0.271 30 20 DBED Cn1nccc1C(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 961839829 PAJGDTUUVWLGDO-YPMHNXCESA-N 302.334 -0.865 30 20 DBED C=C(C)CCN1C[C@H]2C(NC(=O)CN3C(=O)CN(C)C3=O)[C@@H]2C1 962484045 NFOLSQCSFBFJTH-VXGBXAGGSA-N 320.393 -0.107 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)c1cccc(O)n1 964123900 CENIOYLCKWSVFT-QWRGUYRKSA-N 318.333 -0.096 30 20 DBED CCN(C(=O)[C@H]1CCCNC1=O)C1CN(C(=O)[C@H](C)C#N)C1 968063248 YGVXHYKUDHWIPH-PWSUYJOCSA-N 306.366 -0.268 30 20 DBED C=C(Cl)CN[C@@H]1CCN(C(=O)CCn2ncn(C)c2=O)C1 969457819 VZESLAKSXAWUKK-LLVKDONJSA-N 313.789 -0.085 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)[C@H]2C[C@@H]2C)C1 969775468 QEJKWFXDDYUUAT-RMEBNNNOSA-N 319.405 -0.572 30 20 DBED C#CCCN1CC([C@H](C)NC(=O)[C@@H]2CCN(C)S2(=O)=O)C1 970570635 VTQFYKUZWXOLML-AAEUAGOBSA-N 313.423 -0.520 30 20 DBED C=CCN1CC[C@H](N[C@@H]2CCN(C(=O)Cn3ccnc3)C2)C1=O 970856568 NQFGFNRSJYGYEJ-KGLIPLIRSA-N 317.393 -0.140 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)[C@H]3CCC(=O)N(C)C3)C2)C1 972687855 KRUHZFGFAVSYQE-YOEHRIQHSA-N 319.405 -0.209 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1C[C@H]2[C@H](NC(=O)C(F)F)[C@H]2C1 976024427 VHCWADOJXKRURG-WHOHXGKFSA-N 311.332 -0.078 30 20 DBED C=CCN[C@@H]1CCC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 981097182 AHBHNCXDXYFCFH-MNOVXSKESA-N 306.370 -0.420 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)C(N)=O)C[C@H]2C1 986700522 BDNZGPCCGCJXKQ-XQHKEYJVSA-N 321.377 -0.630 30 20 DBED C[C@@H](NC(=O)c1cc(C#N)c[nH]1)C1CCN(C(=O)C(N)=O)CC1 986983409 YNIZNMJSYUHGBR-SECBINFHSA-N 317.349 -0.271 30 20 DBED C[C@H](C#N)C(=O)N1CC(NC(=O)[C@@]2(C)CCCS2(=O)=O)C1 995347847 AEWZVQPJWRBQEO-NOZJJQNGSA-N 313.379 -0.560 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(NC(=O)c2nc[nH]n2)C1 997816219 ISEYBBWVQWGGNU-QWRGUYRKSA-N 305.338 -0.274 30 20 DBED C=CCn1cc(C(=O)N2CC(CNC(=O)c3nc[nH]n3)C2)nn1 1003696307 UQHLSISWFRJVRO-UHFFFAOYSA-N 316.325 -0.916 30 20 DBED C=CCn1cc(C(=O)NC2CCN(CC(=O)NC)CC2)nn1 1003758546 CMVGPGNHMPLEBV-UHFFFAOYSA-N 306.370 -0.596 30 20 DBED C[C@H](C#N)C(=O)N1CC(CNC(=O)[C@H]2CCCCC(=O)N2)C1 1004226426 HKLHYJJITHVIBQ-ZYHUDNBSSA-N 306.366 -0.221 30 20 DBED C#CCCN1CCC(N(C)C(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 1005984638 VSKCUWALFGLOGD-UONOGXRCSA-N 307.394 -0.035 30 20 DBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCN(C(=O)CC(N)=O)CC1 1010813031 SVTSNTANBFRBJR-WFASDCNBSA-N 323.393 -0.096 30 20 DBED C=C(C)CCN1CC[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 1016283540 LWDKAFJIQIPPDN-NEPJUHHUSA-N 301.412 -0.165 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(CN(C(=O)c3cn(C)c(O)n3)C2)C1 1019384371 UJKLDHKPBKDJSH-JTQLQIEISA-N 317.349 -0.040 30 20 DBED C=CCN1CC[C@H](N[C@H]2C[C@H](NC(=O)C3=COCCO3)C2)C1=O 1019964983 QBTXVWRUGOOFIV-AVGNSLFASA-N 321.377 -0.102 30 20 DBED C=CCN1CC[C@@H](N[C@H]2C[C@@H](NC(=O)[C@@H]3COCCO3)C2)C1=O 1021854686 NAMTWPGJYDLNQD-RQJABVFESA-N 323.393 -0.575 30 20 DBED N#Cc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC3(F)F)C2)c[nH]1 1023613268 VYIWSCLKATWXSB-GMTAPVOTSA-N 324.287 -0.157 30 20 DBED C#CCN1CCC[C@H](CNC(=O)[C@@H]2CCN(C)S2(=O)=O)C1 1023645172 ZLJQSLQGLSIPSH-OLZOCXBDSA-N 313.423 -0.518 30 20 DBED C=C(Br)CN1CC(NC(=O)c2nnn(C)n2)C1 1030804244 RFJZWGONCBOCCN-UHFFFAOYSA-N 301.148 -0.467 30 20 DBED C#CCN1CC[C@@H](N(C)C(=O)Cn2ncn3nccc3c2=O)C1 1033467059 NWEUNCJNCTUXMC-GFCCVEGCSA-N 314.349 -0.943 30 20 DBED C=CCCn1cc(C(=O)N(C)[C@H]2CCN(CC(=O)NC)C2)nn1 1033483766 LOXDVWUZBUVIEG-LBPRGKRZSA-N 320.397 -0.254 30 20 DBED N#Cc1cc(C(=O)N2CCC[C@@H]2CN[C@H]2CCNC2=O)c[nH]1 1034911394 APWBRGZSLJUTDJ-OLZOCXBDSA-N 301.350 -0.031 30 20 DBED CN1CCCC[C@H](C(=O)NC[C@@H]2CN(CC#N)CCO2)C1=O 1035573757 MLMCSUXGAGBLCI-CHWSQXEVSA-N 308.382 -0.415 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)Cn3ccc(O)nc3=O)CC[C@@H]21 1036763476 BFBKZQCUOTZZJE-OLZOCXBDSA-N 316.361 -0.495 30 20 DBED CN1C(=O)CN(CC(=O)N2CC[C@H]3[C@H](CCN3CC#N)C2)C1=O 1036868631 PWTQIOZQIXLHKW-NEPJUHHUSA-N 319.365 -0.673 30 20 DBED N#Cc1cc(C(=O)NC[C@H]2CCN2[C@@H]2CCC(=O)NC2=O)c[nH]1 1038175938 WONPRBWRISOXLL-VXGBXAGGSA-N 315.333 -0.504 30 20 DBED COC1CC(C(=O)N[C@@H]2CN(c3nccnc3C#N)C[C@H]2O)C1 1041212468 QBJCCMGLGHNEKE-IOCWDNCASA-N 317.349 -0.561 30 20 DBED C=C[C@H](CC)CC(=O)N1CC(O)(CNC(=O)CNC(C)=O)C1 1041216127 SVALPSYGBJGLDF-GFCCVEGCSA-N 311.382 -0.586 30 20 DBED C=C1CC(C)(C(=O)N2CC(O)(CNC(=O)CNC(=O)CC)C2)C1 1042112565 ODRFGESQKWCIDB-UHFFFAOYSA-N 323.393 -0.442 30 20 DBED CC#CCCCC(=O)N1CC(O)(CNC(=O)CC(=O)NC)C1 1042740903 ATNSHLTWFNFDIP-UHFFFAOYSA-N 309.366 -0.994 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)[C@H]2C[C@@H]2OCC)C1 1043033351 XNTDOGSRFSXDQJ-STQMWFEESA-N 324.377 -0.859 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)[C@@]23COC[C@@H]2C3)C1 1043361694 IGEMDAUPYCZVHK-LRDDRELGSA-N 306.362 -0.628 30 20 DBED C=CCCCC(=O)N1CC(O)(CNC(=O)C[C@@H]2CCNC2=O)C1 1043367802 XXYSEQWRXZTIED-LBPRGKRZSA-N 323.393 -0.442 30 20 DBED CN1CCC[C@H]1C(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1043874205 GRAUCYHBRFOLPA-AGIUHOORSA-N 316.365 -0.892 30 20 DBED Cn1cnc(C(=O)N[C@@H]2CN(c3cncc(C#N)n3)C[C@@H]2O)c1 1043910759 KKVWIIATNRJBFX-PWSUYJOCSA-N 313.321 -0.939 30 20 DBED C=CCN1CC[C@@H](N2CC(N(C)C(=O)[C@@H]3CCC(=O)N3)C2)C1=O 1044207732 QZNKNCXRHCOWMP-QWHCGFSZSA-N 320.393 -0.806 30 20 DBED C=CCN[C@H]1CCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)[C@H](C)C1 1044762779 IBAZKUGORDSLPM-MNOVXSKESA-N 322.365 -0.438 30 20 DBED Cc1nc(C(=O)NCC2(O)CN(C(=O)[C@@H](C)C#N)C2)c(C)o1 1045252273 OBDRJLRLWLLPBG-QMMMGPOBSA-N 306.322 -0.246 30 20 DBED Cc1cc(CC(=O)N2CC(O)(CNC(=O)[C@@H](C)C#N)C2)n[nH]1 1045541087 QLMNOICXJRPEOW-VIFPVBQESA-N 305.338 -0.890 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)[C@H](C)c2cncnc2)C1 1045564213 DSTREDPYQHQQGQ-WDEREUQCSA-N 317.349 -0.571 30 20 DBED C[C@@H]1OCCO[C@@H]1C(=O)N1CCN([C@@H]2CCN(CC#N)C2)CC1 1046037383 YNTZDXDPEPQXCM-ZNMIVQPWSA-N 322.409 -0.468 30 20 DBED N#CCN1CC[C@H](N2CCN(C(=O)Cc3cnoc3)CC2)C1 1046057252 XSJBYHKMRBYXJZ-AWEZNQCLSA-N 303.366 -0.041 30 20 DBED C=CCOCC(=O)N(C)[C@H]1CN(C(=O)Cn2cccn2)C[C@@H]1O 1048551064 BFSRHCJWMHDMJZ-STQMWFEESA-N 322.365 -0.884 30 20 DBED CC(C)C#CC(=O)N(C)[C@H]1CN(C(=O)CCCC(N)=O)C[C@@H]1O 1048814183 XBEKSQFORGUKIT-STQMWFEESA-N 323.393 -0.669 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H](CNCc2nc(N(C)C)no2)C1 1051494324 HRMQJONPSWTXMC-MNOVXSKESA-N 322.369 -0.388 30 20 DBED C=CCCOCC(=O)NC[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1C 1052264225 FHIXTOXBYKXTFP-VXGBXAGGSA-N 311.382 -0.335 30 20 DBED C#CCN1CC2(C1)CN(C(=O)C1CCN(C(N)=O)CC1)CCO2 1053528944 ZDWLHJLKEYBSPY-UHFFFAOYSA-N 320.393 -0.677 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)Cc3cnn(C)c3)CO2)C1 1053753508 RTUBUPLEFHJZSX-CQSZACIVSA-N 302.378 -0.055 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)c3cc(OC)ncn3)CO2)C1 1053804624 ZZDOIYCRJVPCAQ-NSHDSACASA-N 302.334 -0.309 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)[C@@H]3CN(CC)CCO3)CO2)C1 1054014398 NTBZSQMENMJCHT-GJZGRUSLSA-N 321.421 -0.310 30 20 DBED CN1CCOC[C@H]1C(=O)N1CC[C@@H](Nc2cnc(C#N)cn2)C1 1056608994 FBPMOEQHESMDCS-YPMHNXCESA-N 316.365 -0.308 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)c1cncnc1 1057407115 XPGLRUAUSTVLTP-UHFFFAOYSA-N 304.350 -0.313 30 20 DBED C#CCOCCC(=O)N(CCO)CCNC(=O)CCSC 1057579546 PPGDXRATEIITSI-UHFFFAOYSA-N 316.423 -0.284 30 20 DBED C=CC(C)(C)C(=O)NCCN(CCO)C(=O)CC(=O)N(C)C 1057628247 XWAPGUNXLWWKPU-UHFFFAOYSA-N 313.398 -0.386 30 20 DBED O=C(C#CC1CC1)NCCN(CCO)C(=O)Cc1ccc[nH]1 1057792093 SKGSQCRFJCHWCS-UHFFFAOYSA-N 303.362 -0.092 30 20 DBED CCCN1CCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@H](C)C#N 1057853508 RVDFDTAGTIVWKV-KGLIPLIRSA-N 324.425 -0.042 30 20 DBED Cc1nc(N[C@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)C2)ccc1C#N 1059049598 WZSKQAJWYLTGQU-RYUDHWBXSA-N 314.349 -0.044 30 20 DBED C#CCCCC(=O)N1CCOC[C@@H]1CNC(=O)C1(C(N)=O)CC1 1061838191 DOTVUTWBVATGGF-LBPRGKRZSA-N 321.377 -0.601 30 20 DBED C=CCCC(=O)N1CCOC[C@H]1CNC(=O)[C@H](COC)OC 1061877878 ZCPICHQUMJIKJO-OLZOCXBDSA-N 314.382 -0.042 30 20 DBED C=CCOCC(=O)NC[C@H]1CCCCN1C(=O)[C@H]1CCC(=O)N1 1062066871 BHJOLDXBHUAROT-CHWSQXEVSA-N 323.393 -0.035 30 20 DBED CCn1cc(C(=O)N[C@@H]2[C@H]3C[C@H]2N(c2nccnc2C#N)C3)nn1 1064288730 BCKXMJUMTGNPPH-ZWKOPEQDSA-N 324.348 -0.033 30 20 DBED N#Cc1nccnc1NC[C@@H]1CCCN1C(=O)Cn1cnnn1 1064855771 AMQGLAQKTWYJSX-JTQLQIEISA-N 313.325 -0.562 30 20 DBED C=CCCC(=O)N1CCO[C@H](CNC(=O)C2(C(N)=O)CC2)C1 1064957683 OITUJWRQDKPXJO-LLVKDONJSA-N 309.366 -0.438 30 20 DBED N#Cc1cccnc1N1C[C@H](CNC(=O)c2cnon2)[C@@H](O)C1 1067677374 CNIFKMYNTPJRNQ-JQWIXIFHSA-N 314.305 -0.437 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1COC2(C1)CN(C(=O)c1cncn1C)C2 1069003964 QVAOKULUXNVGAU-MNOVXSKESA-N 317.349 -0.321 30 20 DBED CN(C)CCC(=O)N[C@H]1COC2(C1)CN(C(=O)C#CC1CC1)C2 1069013077 KFKWKAUBOITIBL-CQSZACIVSA-N 319.405 -0.162 30 20 DBED C=C(C)CN1CCn2ncc(CNC(=O)c3nnn(C)n3)c2C1 1069870827 VUTALCYJMZOCOV-UHFFFAOYSA-N 316.369 -0.272 30 20 DBED C=CCCC(=O)NCC1(NC(=O)Cn2cnnn2)CCOCC1 1069978622 OTMGVPNICCOGKP-UHFFFAOYSA-N 322.369 -0.579 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CN(CC)C[C@@H]2n2ccnn2)nn1 1070051622 GXCXFTRCYOYDGV-YPMHNXCESA-N 316.369 -0.269 30 20 DBED NC(=O)NC1(C(=O)N2CCC[C@@H](NC(=O)C#CC3CC3)C2)CC1 1070632977 QTQOSOOGAPQILR-GFCCVEGCSA-N 318.377 -0.292 30 20 DBED CN1C[C@@H](C(=O)N2C[C@@H]3C[C@@H]4CN(CC#N)C[C@]3(C2)O4)CC1=O 1070806120 DBNMRYAZTXKZQY-BCUIYNNISA-N 318.377 -0.710 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)[C@H]4CCNC4=O)C[C@@]3(C1)O2 1070836088 PFRKEXUJDHURIF-NFFDBFGFSA-N 303.362 -0.943 30 20 DBED CN1CC[C@@H](C(=O)N2C[C@H]3C[C@@H]4CN(CC#N)C[C@]3(C2)O4)C1=O 1070839009 DSIQSIAAJOTCIF-BRXULGCHSA-N 318.377 -0.710 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)Cn4ccnc4)C[C@@]3(C1)O2 1070897420 KQHYBCARHRCULW-SQWLQELKSA-N 300.362 -0.182 30 20 DBED C[C@H]1CN(C(=O)c2nccnc2N)C[C@@]2(CCN(CC#N)C2)O1 1071145983 DWIQWQLDUMLJLJ-NHYWBVRUSA-N 316.365 -0.112 30 20 DBED C=CCCC(=O)N1C[C@H](C)[C@H](NC(=O)Cn2c(O)nnc2O)C1 1071788249 WHBOYSIXVPEABU-VHSXEESVSA-N 323.353 -0.381 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCN([C@H](C)c3nnnn3C)C2)C1 1072553024 VOGRWZTUNFVNGY-GHMZBOCLSA-N 303.370 -0.035 30 20 DBED CNC(=O)CC(=O)N1CC[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2CC1 1074322217 JAKCCYQDIFEGMJ-RWMBFGLXSA-N 320.393 -0.021 30 20 DBED COc1c(C(=O)N2CC[C@@H]3OCCN(CC#N)[C@@H]3C2)cnn1C 1074393188 WVVNEDBHENQOKM-OLZOCXBDSA-N 319.365 -0.132 30 20 DBED CNC(=O)NCC(=O)N[C@H]1CCN(C(=O)C#CC2CC2)[C@@H](C)C1 1075026666 HMBQVFHHVNSPLP-AAEUAGOBSA-N 320.393 -0.176 30 20 DBED C=CCCC(=O)NCC[C@H](C)NC(=O)CC[C@@H]1NC(=O)NC1=O 1075885706 KEQKOMSPJMVONH-QWRGUYRKSA-N 324.381 -0.048 30 20 DBED C[C@@H](CCNC(=O)[C@H](C)NC(N)=O)NC(=O)c1c[nH]c(C#N)c1 1076267061 BTQXSMKMTOKSOD-IUCAKERBSA-N 320.353 -0.432 30 20 DBED C#CCOCCC(=O)NCC[C@H](C)NC(=O)[C@H]1CCN(C)C1=O 1076507603 NNLZOIXSZBFLMA-QWHCGFSZSA-N 323.393 -0.484 30 20 DBED C=CCCOCC(=O)NCC[C@H](C)NC(=O)CCn1cnnn1 1077063079 XQKSIJYYLVSSAK-LBPRGKRZSA-N 324.385 -0.333 30 20 DBED C=CCO[C@@H](C)C(=O)NCC[C@H](C)NC(=O)[C@H]1CCC(=O)N1 1077066189 JDXKMSURHOAUTF-SDDRHHMPSA-N 311.382 -0.133 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2coc(C3CCOCC3)n2)C1 1077960048 DWSFRQVZXFXPGC-TZMCWYRMSA-N 319.361 -0.023 30 20 DBED C#CCNC(=O)CC(=O)N1CC(N(CC)C(=O)CCCOC)C1 1079384064 SPGWPMBDMBSEKN-UHFFFAOYSA-N 323.393 -0.388 30 20 DBED N#CCSCC(=O)NC[C@@H]1CN(C(=O)c2ccc[nH]2)C[C@H]1O 1081286946 RCIHMWNZUMQLIX-ZYHUDNBSSA-N 322.390 -0.179 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)C(C)(C)F)C[C@@H]1O 1081344854 VUVGPGMJGJSSKG-QWRGUYRKSA-N 302.346 -0.127 30 20 DBED C#CCCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)CN2CCCC2)C1 1081499401 LHHNZMHQTUDCNF-HUUCEWRRSA-N 321.421 -0.179 30 20 DBED CCN(CC)CC(=O)NC[C@H]1CN(C(=O)C#CC(C)C)C[C@H]1O 1081506447 SOPBBAYGSYGKCG-LSDHHAIUSA-N 323.437 -0.077 30 20 DBED C#CCCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cnn[nH]2)C1 1081590272 PDVSOTDJXWSEEF-CMPLNLGQSA-N 305.338 -0.843 30 20 DBED C#CCCCC(=O)NC[C@@H]1CCCCN1C(=O)Cn1ncnn1 1082093359 PDSZYHSAIHWTJR-ZDUSSCGKSA-N 318.381 -0.026 30 20 DBED C=C(C)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H](C)S(C)(=O)=O 1083120727 ASAVOFSBDUZWMP-FRRDWIJNSA-N 316.423 -0.093 30 20 DBED CC(C)(C)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CN(CC#N)C[C@@H]1O 1083482921 ACIMBLRGXHJMJG-AGIUHOORSA-N 322.409 -0.292 30 20 DBED C=C1CCC(C(=O)N[C@@H]2CN(Cc3nnn(C)n3)C[C@@H]2O)CC1 1083754461 SEYTXQSIRZFKAB-OLZOCXBDSA-N 320.397 -0.382 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)Cn2nc(C)c(Cl)c2C)C1 1084065965 UBZAGBQBZJOFEP-NEPJUHHUSA-N 310.785 -0.052 30 20 DBED COCCN1C[C@H](C(=O)N(C)C[C@H]2CCN2CC#N)CC1=O 1085626087 FYHMOKFWQQTZAO-CHWSQXEVSA-N 308.382 -0.462 30 20 DBED N#CCN[C@@H]1CC[C@H](CNC(=O)[C@@H]2CCS(=O)(=O)N2)C1 1086878660 YPUKHWAVLFFTCV-AXFHLTTASA-N 300.384 -0.924 30 20 DBED N#CCN1CC[C@@H](NC(=O)Cn2cc(C3CC3)cn2)[C@H](O)C1 1090373517 IPSQIRYYVMBIMO-ZIAGYGMSSA-N 303.366 -0.165 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(c2ccnc(C)n2)C[C@H]1O 1090494409 CZUFIEIXFFRDFX-CHWSQXEVSA-N 304.350 -0.509 30 20 DBED Cc1cc(C#N)nc(N2C[C@H](O)[C@H](NC(=O)CCN(C)C)C2)n1 1091177757 IFXBTBZSFSKLRX-OLZOCXBDSA-N 318.381 -0.726 30 20 DBED N#CCNC1CC(CNC(=O)c2cn([C@H]3CCOC3)nn2)C1 1091315838 OUDHWPCMZSPZLR-MCIGGMRASA-N 304.354 -0.139 30 20 DBED CN(C)C(=O)CC(=O)NC1[C@@H]2CN(c3nccnc3C#N)C[C@@H]12 1093358714 UXSIWXXRUAYDAJ-NXEZZACHSA-N 314.349 -0.623 30 20 DBED CNC(=O)NCCC(=O)NCCNc1ncc(C#N)cc1F 1093591189 KZEWSATZWNKKSO-UHFFFAOYSA-N 308.317 -0.060 30 20 DBED N#Cc1nccnc1NCCNC(=O)CCCn1ccnn1 1093930060 LTXGRILFVNOWFI-UHFFFAOYSA-N 300.326 -0.052 30 20 DBED CC(C)c1nnnn1CC(=O)NCCNc1ccc(C#N)nn1 1094170495 HSUNZNAHEHAMPL-UHFFFAOYSA-N 315.341 -0.314 30 20 DBED N#Cc1nc(=NCCCNC(=O)[C@@H]2CCNC(=O)CC2)cc[nH]1 1094690218 YZCKXDIZCNNTJC-NSHDSACASA-N 316.365 -0.395 30 20 DBED C[C@H](CC(N)=O)C(=O)N1CC[C@@H](Nc2cncc(C#N)n2)C1 1095078007 XXVLMOSUPSUDPW-NXEZZACHSA-N 302.338 -0.127 30 20 DBED C[C@H](CC(N)=O)C(=O)N1CC[C@H](N(C)c2nccnc2C#N)C1 1095149231 CAEXMDJKCNNMLW-MNOVXSKESA-N 316.365 -0.103 30 20 DBED CCC(=O)NCC(=O)N[C@@H]1CCCN(c2ccc(C#N)nn2)C1 1096149067 KZFLNNPDNOCIET-GFCCVEGCSA-N 316.365 -0.041 30 20 DBED N#Cc1ccc(N2CC[C@@H](NC(=O)CCNC(N)=O)C2)nc1 1096377796 HZXCVYRAJLEAEN-LLVKDONJSA-N 302.338 -0.293 30 20 DBED C=C(C)CNCc1cn([C@H]2CCN(C(=O)CC(=O)NC)C2)nn1 1098659447 PLNHDHWUVZOQSR-ZDUSSCGKSA-N 320.397 -0.147 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)C(C)(F)F)[C@H](O)C1 1099614678 XLALZMFJEZYYEZ-VHSXEESVSA-N 305.325 -0.505 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)COCCOC)[C@H](O)C1 1099747045 SDVNFJRDDVEWIP-ZIAGYGMSSA-N 316.398 -0.597 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)Cc2cnoc2)[C@@H](O)C1 1099962099 JCWXSNNTSUPSIA-KGLIPLIRSA-N 309.366 -0.029 30 20 DBED O=C(CC#Cc1ccccc1)N[C@H]1CCN(CCO)C[C@H]1O 1100122855 XMFVFVIERLNWBC-JKSUJKDBSA-N 302.374 -0.028 30 20 DBED CCN(CCNC(=O)[C@H]1CCC(=O)NC1)c1nccnc1C#N 1100765363 FTKNQRBJUJTLIC-NSHDSACASA-N 316.365 -0.183 30 20 DBED CCCN(CCNC(=O)[C@H]1CNC(=O)N1)c1ccncc1C#N 1101235630 ASQLVWOHMWEAHM-GFCCVEGCSA-N 316.365 -0.033 30 20 DBED CN(CCNc1nccnc1C#N)C(=O)CN1CCOCC1 1101577376 KWYWLQKDOHUYGV-UHFFFAOYSA-N 304.354 -0.449 30 20 DBED CN(CCNc1cncc(C#N)n1)C(=O)CN1CCOCC1 1101577388 LKQXAFKXCSAPPU-UHFFFAOYSA-N 304.354 -0.449 30 20 DBED CNC(=O)CC(=O)N[C@H]1CC2(CN(CC#N)C2)n2ccnc21 1101623541 GESNIOQUAHPPHA-JTQLQIEISA-N 302.338 -0.885 30 20 DBED C=CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)[C@H](C)NC(C)=O)C1 1101694535 BVNBSKPOQBODBA-MBNYWOFBSA-N 324.425 -0.503 30 20 DBED CN(CCNc1ccc(C#N)nn1)C(=O)[C@@H]1CC[C@@H]1C(N)=O 1101892760 HCWPHIDYADOTPH-WDEREUQCSA-N 302.338 -0.270 30 20 DBED N#Cc1cnc(N2CC[C@@H](CCNC(=O)CC(N)=O)C2)cn1 1102308125 DVRIYLTWPSZDMW-SNVBAGLBSA-N 302.338 -0.444 30 20 DBED COC[C@H](C)C(=O)NC[C@@H]1CN(c2cnc(C#N)cn2)CCO1 1104309543 COTFOGMQLOALHA-WCQYABFASA-N 319.365 -0.048 30 20 DBED C#CCNCc1cn(C2CN(C(=O)c3ccnc(O)c3)C2)nn1 1105211028 FBIHNUZZYQVGQZ-UHFFFAOYSA-N 312.333 -0.201 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@H](O)CNc1nc(C)cc(C#N)n1 1105805504 BQOLNQXJGRCFTD-SWLSCSKDSA-N 319.365 -0.127 30 20 DBED CN(C)[C@H](C(=O)NC[C@@H](O)CNc1nccnc1C#N)C1CC1 1105995667 VKJGEPLSPPWQET-AAEUAGOBSA-N 318.381 -0.423 30 20 DBED N#Cc1c(Cl)nsc1NC[C@H](O)CNC(=O)C(N)=O 1106078037 SOZCYAJBZZWMJU-SCSAIBSYSA-N 303.731 -0.958 30 20 DBED Cc1c[nH]c(C(=O)NC[C@H](O)CN=c2cc(C)[nH]cc2C#N)n1 1106134931 JNMOLSFNNFEIPL-GFCCVEGCSA-N 314.349 -0.082 30 20 DBED C=CCN1CC(n2cc(CNC(=O)CN3CCCC3=O)nn2)C1 1107122610 HCOFFXYESPMBCW-UHFFFAOYSA-N 318.381 -0.441 30 20 DBED N#Cc1nc(=NC/C=C/CNC(=O)c2c[nH]c(=O)cn2)cc[nH]1 1107490744 RECVJGMECCIHIP-OWOJBTEDSA-N 311.305 -0.748 30 20 DBED CCS(=O)(=O)CC(=O)N[C@H](C)CN=c1cc[nH]cc1C#N 1107791937 MTQOJWZFRFNXPH-SNVBAGLBSA-N 310.379 -0.274 30 20 DBED CC#CCN1CCO[C@@](C)(CNC(=O)[C@H]2CN(C)C(=O)N2)C1 1108119468 NVORIWFKNXICJD-DOMZBBRYSA-N 308.382 -0.760 30 20 DBED C=CCN1CCO[C@](C)(CNC(=O)[C@H](C)NS(C)(=O)=O)C1 1108241481 BTBMQBNFSGQZMS-WCQYABFASA-N 319.427 -0.683 30 20 DBED C[C@@H](CN(C)c1ccc(C#N)nn1)NC(=O)CS(C)(=O)=O 1108836791 HHHBXUMTPOKFEK-VIFPVBQESA-N 311.367 -0.666 30 20 DBED C[C@H](CN(C)c1ccnc(C#N)n1)NC(=O)C[C@H]1CCNC1=O 1109114341 JRZIUIWHZUPJLB-GHMZBOCLSA-N 316.365 -0.185 30 20 DBED C[C@H](CN(C)c1ccc(C#N)nn1)NC(=O)[C@]1(C)CNC(=O)C1 1109157039 VHFCRTOFPLDEST-BMIGLBTASA-N 316.365 -0.185 30 20 DBED C#CCN(C(=O)C(N)=O)C1CCN(c2ccc(C#N)nn2)CC1 1110628652 KXUHKMAOXQYWBI-UHFFFAOYSA-N 312.333 -0.736 30 20 DBED C#CCNC[C@]12CCC[C@H]1CN(C(=O)CN1C(=O)CNC1=O)C2 1112574953 KBYPHGLDRSDIMR-LRDDRELGSA-N 318.377 -0.610 30 20 DBED C=CCOCC(=O)N1CCN(C[C@H](O)COCCOC)CC1 1112708644 RCLDYZJKKQSPJI-AWEZNQCLSA-N 316.398 -0.643 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(CC(=O)NC(=O)NC2CC2)CC1 1112711943 WVHIDXOCUWVZIL-JTQLQIEISA-N 307.354 -0.722 30 20 DBED CNC(=O)NC(=O)[C@H](C)N1CCN(C(=O)C#CC(C)C)CC1 1112834412 MMVADOPJTZMYBU-LBPRGKRZSA-N 308.382 -0.366 30 20 DBED Cc1c(C(=O)N[C@H](C)[C@@H](C)N=c2cc[nH]c(C#N)n2)nnn1C 1112948343 CYQHTIBOXPUYMI-RKDXNWHRSA-N 314.353 -0.174 30 20 DBED C[C@H](N=c1cc[nH]cc1C#N)[C@@H](C)NC(=O)c1nnn(C)n1 1113258209 BNRYSTQANRDHOK-DTWKUNHWSA-N 300.326 -0.482 30 20 DBED C[C@@H]1C[C@@H](C(=O)N2CCN(CC(=O)NCC#N)CC2)CCO1 1113459269 WVALQTJUUFKEOV-OLZOCXBDSA-N 308.382 -0.415 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)CSCCC)[C@@H]2C1 1113950485 JATMMTOLJNCCTQ-VXGBXAGGSA-N 309.435 -0.075 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@@H]2CN(C[C@@H]3CCOC3)C[C@@H]12 1114170106 MLZZGHNYJDUZCY-YNEHKIRRSA-N 305.378 -0.791 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)c3ccnnc3)[C@H]2C1 1114883518 ZQGBVOXHSKIXCE-SCUASFONSA-N 315.377 -0.173 30 20 DBED C[C@@H](CCCN=c1cc[nH]c(C#N)n1)NC(=O)Cn1ncnn1 1115012649 VQOUAJPMQHTDNG-JTQLQIEISA-N 315.341 -0.846 30 20 DBED C=CCn1cc(CNC(=O)C(=O)NCCC[C@H](C)CO)nn1 1118175636 DVHABKPFYWZBMA-NSHDSACASA-N 309.370 -0.395 30 20 DBED C=CCn1cc(Cn2nnnc2N2CC[C@@H](COC)C2)nn1 1120314065 MBPMTNYOAPDYGB-LLVKDONJSA-N 304.358 -0.028 30 20 DBED Cc1nc[nH]c1CC(=O)NC[C@@H](CO)Nc1ccc(C#N)nn1 1121854547 OSKXCRPDQFEXHE-NSHDSACASA-N 315.337 -0.489 30 20 DBED C#CCOCCC(=O)NC[C@H](CO)N=c1cc(C)[nH]cc1C#N 1122028142 LKZXLGMUWUTOGX-CQSZACIVSA-N 316.361 -0.388 30 20 DBED N#Cc1cnc(N[C@H](CO)CNC(=O)CO[C@H]2CCOC2)cn1 1122072862 ZDHSSCWVEVXPMZ-RYUDHWBXSA-N 321.337 -0.957 30 20 DBED C[C@@]1(C(=O)NC[C@H](CO)Nc2ccc(C#N)nc2)CNC(=O)C1 1122253860 HTOVMLIXJDSAAT-DOMZBBRYSA-N 317.349 -0.632 30 20 DBED CN(C[C@H](O)CNc1cncc(C#N)n1)C(=O)c1ncn(C)n1 1124295650 IKRCLWWFOWIJKZ-SNVBAGLBSA-N 316.325 -0.978 30 20 DBED Cc1n[nH]cc1C(=O)N(C)C[C@H](O)CN=c1cc[nH]cc1C#N 1124628649 UJFMGWSFOVVDTO-GFCCVEGCSA-N 314.349 -0.048 30 20 DBED C[C@@H](C#N)C(=O)NCc1cnn2c1CN([C@H]1CCNC1=O)CC2 1128265063 SINUPPLBIHLXDP-JQWIXIFHSA-N 316.365 -0.637 30 20 DBED C#CCNC(=O)CNCCNC(=O)C12CCCN(CCC1)C2 1130170216 SCNPLXBWESFYEV-UHFFFAOYSA-N 306.410 -0.682 30 20 DBED Cc1cc(CC(=O)NCCNCC(=O)NCC#N)ncc1Cl 1130192034 DZJIXAXRNLIMJD-UHFFFAOYSA-N 323.784 -0.069 30 20 DBED C=CCN[C@@H]1CN(C(=O)[C@H](C)NC(N)=O)C[C@H]1c1cn(C)cn1 1130572039 RYWOYJKPUNSYLL-GMXVVIOVSA-N 320.397 -0.453 30 20 DBED C=C[C@@](C)(CCOC)C(=O)NCCN[C@H](C)C(=O)NC(N)=O 1131869832 KCFBWNNSUPVUMR-YGRLFVJLSA-N 314.386 -0.496 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2ncn(C)n2)CC[C@@H]1C 1132003445 VMGANUYZHISLIE-RYUDHWBXSA-N 318.381 -0.853 30 20 DBED Cc1n[nH]cc1C(=O)N[C@@H]1CC[C@H](C)N(CC(=O)NCC#N)C1 1132214679 LXVLZJGKEBWTQQ-CMPLNLGQSA-N 318.381 -0.059 30 20 DBED C=CCNC(=O)CN1C[C@H](NC(=O)C2(C(N)=O)CC2)CC[C@H]1C 1132253403 TZHCSXKXCLHMEK-VXGBXAGGSA-N 322.409 -0.477 30 20 DBED C#CCN1C[C@@H](NC(=O)CCn2cc[nH]c(=O)c2=O)CC[C@@H]1C 1132352947 CEXDWGUFYRJHHF-STQMWFEESA-N 318.377 -0.471 30 20 DBED C=CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)c1cnn(C)c1N 1134198183 UNXFRXJSYGFFAE-GHMZBOCLSA-N 322.413 -0.209 30 20 DBED C[C@@H](C[C@H](C)NC(=O)c1cnnc(O)c1)NCC(=O)NCC#N 1134677235 XIAORHNWWOEUCY-UWVGGRQHSA-N 320.353 -0.692 30 20 DBED C=CCn1cc(C(=O)NCCN[C@H]2CCN(CC)C2=O)nn1 1134973328 NALJACFHVBVZAF-NSHDSACASA-N 306.370 -0.596 30 20 DBED C#CCNC(=O)CNCCNC(=O)Cn1ncc2ccccc21 1135447542 HDUQUHORHKIHFR-UHFFFAOYSA-N 313.361 -0.509 30 20 DBED C[C@@H](C[C@@H](C)NCC#N)NC(=O)CN1C(=O)NC(=O)C1(C)C 1135882815 UHBGLFSNVKDHKS-ZJUUUORDSA-N 309.370 -0.287 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1c[nH]c(C)cc1=O 1146560857 JXKYQLNBXGFYOQ-NSHDSACASA-N 304.350 -0.859 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CN(Cc2nc(O)n[nH]2)CCCO1 1149408962 SHOVWWFQDGZUOQ-VHSXEESVSA-N 308.342 -0.623 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)CNC(=O)C2CCC2)C1=O 1152304171 RIRGODJTZRGWFL-CYBMUJFWSA-N 322.409 -0.605 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@@H]1Cc2cccc(C)c2O1 1153940677 DITDBMYQNWQDLJ-AWEZNQCLSA-N 315.373 -0.246 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@@H]1CC(=O)N[C@H](C)C1 1161589741 VQWAHQOMGFHGDY-NEPJUHHUSA-N 310.398 -0.701 30 20 DBED C[C@@H](CC(N)=O)C(=O)NCCC1(CNCC(=O)NCC#N)CC1 1166546406 YFCKYRVBUYTPOK-NSHDSACASA-N 323.397 -0.986 30 20 DBED C#CCNC(=O)CNCCCC[C@@H](C)NC(=O)Cc1cc[nH]n1 1169937923 LEOXGZYKLKEKKD-CYBMUJFWSA-N 319.409 -0.034 30 20 DBED C[C@H](CC(=O)NCCCNCC(=O)NCC#N)[C@H]1CCCO1 1174620034 DFCNAYUVIXWBNK-CHWSQXEVSA-N 310.398 -0.073 30 20 DBED C#CCNCCCC[C@@H](C)NC(=O)CCCS(N)(=O)=O 1174978274 JQHIHZOZKVVBBM-GFCCVEGCSA-N 303.428 -0.047 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)c2ccn(C)n2)C1=O 1176080794 KYYIUNYOSYIHCA-ZDUSSCGKSA-N 305.382 -0.084 30 20 DBED C=CCOCCN[C@H]1CCN(C(=O)CN2CCNC(=O)C2)[C@H]1C 1179294579 BPTHWPRJVLCUMQ-KBPBESRZSA-N 324.425 -0.800 30 20 DBED COCC#CCN[C@H]1CCN(C(=O)COCCN(C)C)[C@H]1C 1179933842 LZUKOYVNNHWLBL-GJZGRUSLSA-N 311.426 -0.207 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)CNC(=O)C2CC2)C1 1181225292 AGHADJVEWZYHSC-WCQYABFASA-N 322.409 -0.606 30 20 DBED C=CCNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)c2cocn2)C1 1181608288 AYSBRDLGYOTRHW-SNVBAGLBSA-N 321.337 -0.510 30 20 DBED N#CCNC(=O)CN[C@@H]1CCN(C(=O)Cn2cc(Cl)cn2)C1 1185950580 CPNUGBSZWCAKDM-LLVKDONJSA-N 324.772 -0.633 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2nc(C)oc2C)C1 1186536972 IGGMPOMVDYYASD-GFCCVEGCSA-N 304.350 -0.155 30 20 DBED CC(C)C#CC(=O)N1CC[C@H]2CN([C@H]3CCC(=O)NC3=O)C[C@H]21 1187840581 IHRNCUPOLDIQKP-MELADBBJSA-N 317.389 -0.016 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2cc(C)c(C)o2)C1 1192205706 GKDMPPSDCNQSJW-CHWSQXEVSA-N 321.377 -0.026 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)C(C)(C)CN2CCOCC2)C1 1194102316 HKNLAAMIHMXYOQ-HUUCEWRRSA-N 323.437 -0.471 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)[C@H]2CN(C)CCO2)CC1 1195404248 OHUXGWSHAGSLQM-CQSZACIVSA-N 324.425 -0.847 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)C/C=C(/C)C=C)C1 1195444663 PPWRLQRACWUCTA-MFICBBFYSA-N 319.405 -0.192 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)c2ccn(C)c2C)C1 1195963260 DPJCGDQPFLPWJR-HUUCEWRRSA-N 305.378 -0.242 30 20 DBED CCN1CCCC[C@@H]1C(=O)N[C@@H]1CN(CC#CCOC)C[C@H]1O 1199103627 BFEPLKHJHFPFDI-BZUAXINKSA-N 323.437 -0.328 30 20 DBED C=CCNC[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)CCCO1 1201394901 BHPFPEOXOHFJAL-FRRDWIJNSA-N 311.382 -0.588 30 20 DBED C#CCNC[C@@H]1CN(C(=O)Cn2nnnc2C(C)C)CCCO1 1201593352 RQWUTNQOTHBPRG-CYBMUJFWSA-N 320.397 -0.363 30 20 DBED C#CCNC[C@@H]1CN(C(=O)c2cnn(CCOC)c2)CCCO1 1201959975 ZQXBIESVKVFNJI-OAHLLOKOSA-N 320.393 -0.017 30 20 DBED CC#CCNC[C@H]1CN(C(=O)C(C)(C)NC(=O)NC)CCCO1 1202140965 HTNWGKHMEMFINQ-ZDUSSCGKSA-N 324.425 -0.076 30 20 DBED C=CCNC(=O)CN[C@@H]1C[C@H](NC(=O)CC(=O)NC)C12CCC2 1202806567 VYLVFDOPTKEOSK-NEPJUHHUSA-N 322.409 -0.558 30 20 DBED CCS(=O)(=O)NCC(=O)N[C@@H]1C[C@@H](NCC#N)C12CCC2 1202996641 SFUMBDZZQFPRDA-GHMZBOCLSA-N 314.411 -0.534 30 20 DBED C#CCN[C@H]1C[C@H]2CC[C@H]1N(C(=O)COCc1ncnn1C)C2 1204852853 LPMOSRBDMGASDL-HZSPNIEDSA-N 317.393 -0.066 30 20 DBED C=CCNC(=O)NC(=O)CN[C@@H]1CCCN(C(=O)C2CC2)C1 1206990168 SDTIWPXKZUOCLJ-GFCCVEGCSA-N 308.382 -0.011 30 20 DBED CC#CCN[C@H]1CCCN(C(=O)[C@H](C)NS(=O)(=O)CC)C1 1208109460 HWWSTUPCCLSRBH-STQMWFEESA-N 315.439 -0.082 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)[C@H]2CCC(=O)N2C)[C@H](C)C1 1208395671 AXCISWCRLBMTOG-JHJVBQTASA-N 322.409 -0.654 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)c2cn(C)c(O)n2)C1 1209430549 BNCFCGHDGOUQII-LLVKDONJSA-N 319.365 -0.931 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)C(C)(C)NC(C)=O)[C@H](C)C1 1209541795 ZGXXRFRMBNJOGY-DGCLKSJQSA-N 324.425 -0.360 30 20 DBED COCC#CCN1C[C@@H](NC(=O)c2ccnn2C)[C@H](OC)C1 1211981816 FREKEJHQXUXPOH-TZMCWYRMSA-N 306.366 -0.501 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)C2=CCOCC2)[C@H](OC)C1 1212156538 RFLOTCGDKWHMFU-ZIAGYGMSSA-N 323.393 -0.549 30 20 DBED C[C@@H]1CN(C(=O)c2cccnc2)C[C@H]1NCC(=O)NCC#N 1214046996 QEFOKNGSSYOWID-DGCLKSJQSA-N 301.350 -0.229 30 20 DBED C=C(C)CN[C@@H]1CN(C(=O)CNS(=O)(=O)NC)C[C@H]1C 1215233165 ZYTXZDJXAWEOTA-GHMZBOCLSA-N 304.416 -0.947 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)CCCC(C)=O)C1 1219185925 NJUOTSDSNJFLHH-MCIONIFRSA-N 323.393 -0.955 30 20 DBED CC1CCN(C(=O)CN2C[C@H](O)[C@H](NC(=O)[C@@H](C)C#N)C2)CC1 1219365728 FXQCMCCBDGTJKF-MJBXVCDLSA-N 322.409 -0.434 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)C2CC(C)(C)C2)C1 1219554639 UYCJKNPJGKALHA-YUTCNCBUSA-N 321.421 -0.278 30 20 DBED C#CCC1(C(=O)N[C@@H]2CN(CC(=O)NC(C)C)C[C@@H]2O)CCC1 1219784207 SFTMBQHYGYMNRI-KGLIPLIRSA-N 321.421 -0.134 30 20 DBED C#CCC1(C(=O)N[C@@H]2CN([C@H](C)C(N)=O)C[C@@H]2O)CCCCC1 1221129866 SCFCKEXFUJLVAW-MCIONIFRSA-N 321.421 -0.005 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)CCOCC#C)[C@@H]2C1 1221541405 ZXPJCSZTXVLBTJ-HUUCEWRRSA-N 317.389 -0.692 30 20 DBED C[C@H](C#N)C(=O)NC1CCN(CC(=O)NC[C@H]2CCOC2)CC1 1226640515 ODUYIXIFYFCQGF-CHWSQXEVSA-N 322.409 -0.121 30 20 DBED C[C@H](C#N)C(=O)NC1CCN(CCN2C(=O)CNC2=O)CC1 1226641320 YKQGUWTZFHOURT-SNVBAGLBSA-N 307.354 -0.722 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC(NC(=O)CCCC(N)=O)CC1 1230442340 HWYLYQOYLGVDSN-GFCCVEGCSA-N 322.409 -0.640 30 20 DBED CN1CCC(N2CC[C@H](NC(=O)C(=O)NCCCC#N)C2)CC1 1258413063 DTQVJZGNGPOCOB-ZDUSSCGKSA-N 321.425 -0.309 30 20 DBED CC#CC[C@@H](CO)NC(=O)NCCCN1C(=O)NC(C)(C)C1=O 1263761150 UCLMKFAUYDJENN-NSHDSACASA-N 324.381 -0.220 30 20 DBED N#CCCNC(=O)COC(=O)C1CCC2(CC1)NC(=O)NC2=O 1318404163 NTAKXIBUGSQDHU-UHFFFAOYSA-N 322.321 -0.672 30 20 DBED COCCOCCNC(=O)C(=O)Nc1cc(C)n(CCC#N)n1 1319783810 IMERHXSNBWFOOM-UHFFFAOYSA-N 323.353 -0.177 30 20 DBED C#CCN(C)C(=O)C(=O)Nc1ccc(CNS(C)(=O)=O)cc1 1321311936 OTYVZSPZYQNJRO-UHFFFAOYSA-N 323.374 -0.234 30 20 DBED C#CCSCCNC(=O)C(=O)N[C@@H](C)CN1CCOCC1 1321510023 UXQWTSNMOBYILQ-LBPRGKRZSA-N 313.423 -0.694 30 20 DBED C#CC[C@H](NC(=O)C(=O)NCc1nnn(C)n1)c1ccccc1 1326563687 GTRCPZIXEXIYSG-LBPRGKRZSA-N 312.333 -0.293 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCOC2(CCOCC2)C1 1326799960 GFMSQFHONQPXDO-UHFFFAOYSA-N 310.350 -0.840 30 20 DBED C=CCSCCNC(=O)C(=O)N1C[C@H](O)C[C@@H]1COC 1327493568 AMOSNQOBFGJVQA-GHMZBOCLSA-N 302.396 -0.370 30 20 DBED O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)NC1CC=CC1 1328857389 MCCJHTYGVWFAIT-SEYXRHQNSA-N 318.333 -0.536 30 20 DBED N#CCNC(=O)CNC(=O)C(=O)Nc1ccc(F)cc1C#N 1329189478 AJXACVJZUATCBQ-UHFFFAOYSA-N 303.253 -0.608 30 20 DBED C#CCOCCn1nnnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1334472469 TYZBLNYCZHHIPH-ZDUSSCGKSA-N 306.370 -0.373 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N1CC[C@H](C(=O)OC)[C@H]1C 1336593810 CZQUYGRNOITFFQ-UPJWGTAASA-N 324.377 -0.059 30 20 DBED C#C[C@@H](C)N(C)c1nnc(C2=NO[C@H](CO)C2)n1CCOC 1341236102 INRJIUBKOJWGPE-MNOVXSKESA-N 307.354 -0.132 30 20 DBED C=CCN(C(=O)[C@H]1CNCCN1C)[C@@H]1CCS(=O)(=O)C1 1357203600 BZYYHQOSQZRVAQ-VXGBXAGGSA-N 301.412 -0.908 30 20 DBED CCCCN(CCO)C(=O)CCn1cc(C#N)c(O)nc1=O 1362094071 NBKAQCPFZCACIN-UHFFFAOYSA-N 308.338 -0.168 30 20 DBED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 1362461768 IIMDCOBKJRMINA-ZRUFSTJUSA-N 322.365 -0.017 30 20 DBED CS(=O)(=O)N1CCC(C(=O)N2CC[C@](O)(CC#N)C2)CC1 1363520494 GXNTZKHRCQKGOX-CYBMUJFWSA-N 315.395 -0.465 30 20 DBED Cn1nnc(NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)n1 1364442012 ZICUSEHASUNYNB-UHFFFAOYSA-N 313.325 -0.169 30 20 DBED COC(=O)[C@]12CCC[C@H]1CN(c1[nH]c(=O)n(C)c(=O)c1C#N)C2 1365236391 IITPRSZXPLTTRA-VFZGTOFNSA-N 318.333 -0.275 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(O)(CNCC(=O)N(C)C2CC2)CC1 1368679718 VCSDWXKTMYRUEY-LBPRGKRZSA-N 322.409 -0.290 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCC(=O)N1)NC(=O)c1cc(C#N)c[nH]1 1377521226 PVEXQPDGIWLEJX-WCBMZHEXSA-N 303.322 -0.601 30 20 DBED C[C@@H](CN(C)CCN1CCNC1=O)NC(=O)c1cc(C#N)c[nH]1 1379652516 OBUNIMNLIZEODM-NSHDSACASA-N 318.381 -0.038 30 20 DBED CCN(C(=O)[C@H](C)C#N)[C@H](C)CNC(=O)CCS(C)(=O)=O 1383751663 NFGKCDJRNHDHET-GHMZBOCLSA-N 317.411 -0.066 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CCCN(C(=O)Cc2nc[nH]n2)C1 1387356461 KGIYYDDBVMSNCG-QWRGUYRKSA-N 304.354 -0.044 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1ccnc(N(C)C)c1 1399869517 NPTGEGSVGBLQEX-CMPLNLGQSA-N 319.365 -0.486 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CCN(C(=O)c2cc(C(N)=O)c[nH]2)C1 1407564723 YHLPODDNSVWZDK-PSASIEDQSA-N 303.322 -0.396 30 20 DBED CN(CCNC(=O)[C@H]1COC(=O)N1)C(=O)c1cc(C#N)c[nH]1 1408559115 BUSZDLBSNSILBF-SNVBAGLBSA-N 305.294 -0.817 30 20 DBED CC(C)(CC#N)CS(=O)(=O)NC1CCN(CC(N)=O)CC1 1434610709 RUVQTBZBKFBNSO-UHFFFAOYSA-N 316.427 -0.205 30 20 DBED C[C@@H](NC(=O)Cn1cc(C#N)c(O)nc1=O)c1csnn1 1451652891 IHOMCFIGDANUJK-ZCFIWIBFSA-N 306.307 -0.451 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@@H](NC(=O)c2ccnn2C)C1 1490528998 XWOOJSHGRHUQFR-VXGBXAGGSA-N 303.366 -0.638 30 20 DBED C=C(Br)CNC[C@@H](O)CNC(=O)CCNC(N)=O 1497114741 QREBOXHZBNGGDJ-MRVPVSSYSA-N 323.191 -0.980 30 20 DBED CCCNC(=O)[C@H](C)NC(=O)C(=O)Nc1ccc(C#N)cn1 1516671666 WYOFOMOAVVWYMA-VIFPVBQESA-N 303.322 -0.077 30 20 DBED CC[C@@H](CNC(=O)CN(C)C(=O)COC)NC(=O)[C@H](C)C#N 1531250774 WSAUQLLBGHAXCP-MNOVXSKESA-N 312.370 -0.738 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C[C@@H](C)N=c1cc[nH]c(C(=O)O)n1 1573311334 MPTHMKUXZBFCCF-MNOVXSKESA-N 320.349 -0.106 30 20 DBED C[C@H](CN(C)c1cncc(-c2nn[nH]n2)n1)NC(=O)[C@H](C)C#N 1574811268 MTGJHDLMAWGOQP-RKDXNWHRSA-N 315.341 -0.243 30 20 DBED C[C@H](Nc1cnc(-c2nn[nH]n2)c(C#N)n1)[C@@H]1CN(C)CCO1 1575440191 WBBSINFYNWJEPT-WPRPVWTQSA-N 315.341 -0.341 30 20 DBED CN1CCO[C@@H](CSc2cnc(-c3nn[nH]n3)c(C#N)n2)C1 1579378791 OEGPUHORCBXFOO-MRVPVSSYSA-N 318.366 -0.049 30 20 DBED CNC(=O)N[C@@H]1CCN(c2cnc(-c3nn[nH]n3)c(C#N)n2)C1 1579402175 FOKVYOJDPCGYEN-SSDOTTSWSA-N 314.313 -0.964 30 20 DBED C#CCOc1cccc(NC(=O)C(=O)NC[C@@](C)(O)C(=O)O)c1 1588433608 QDENPNWFZFFUPR-OAHLLOKOSA-N 320.301 -0.411 30 20 DBED C=C[C@H](O)C(=O)N(C)C[C@@H](O)c1cccc(-c2nn[nH]n2)c1 1588525326 GCEAUHONPLALOE-NWDGAFQWSA-N 303.322 -0.095 30 20 DBED C=CCOCC(=O)N[C@@H](C)CNc1nccnc1-c1nn[nH]n1 1588675952 LSOKQRDYRPXQIE-VIFPVBQESA-N 318.341 -0.224 30 20 DBED COc1cc(C(=O)N[C@H]2CNC[C@H]2C#N)ccc1-c1nn[nH]n1 1591512107 QUYPUDDZUIYGHR-KOLCDFICSA-N 313.321 -0.283 30 20 DBED N#Cc1ccc([C@@H](O)CN2CCS(=O)(=O)C[C@@H]2C(=O)O)cc1 1594618702 XBPCVHJIQJIQGG-OLZOCXBDSA-N 324.358 -0.225 30 20 DBED N#Cc1cn(CCC(=O)N[C@H]2CC[C@@H](C(=O)O)C2)c(=O)nc1O 1594633871 YFBSLVOXIUEGIU-SCZZXKLOSA-N 320.305 -0.420 30 20 DBED N#CC1(C(=O)O)CCN(C(=O)Cc2ccc(C(N)=O)nc2)CC1 1601051962 WMXNBXLPYGHXDW-UHFFFAOYSA-N 316.317 -0.060 30 20 DBED N#Cc1cc(C(=O)NCC2CN(C(=O)[C@H]3C[C@H]3C(=O)O)C2)c[nH]1 1601085539 BRAOCTLYMOVATD-NWDGAFQWSA-N 316.317 -0.205 30 20 DBED C#CCOCCC(=O)N(C)C1CN(C(=O)[C@H]2C[C@@H]2C(=O)O)C1 1602728409 UPBXTRRWRQIHGL-RYUDHWBXSA-N 308.334 -0.584 30 20 DBED CN(C)C[C@](C)(C#N)NC(=O)c1cccc(-c2nn[nH]n2)n1 1604677732 QBLTUDCHICUYIU-ZDUSSCGKSA-N 300.326 -0.165 30 20 DBED CC(C)[C@](C)(C#N)NC(=O)CN1CCN(C)C[C@H](C(=O)O)C1 1609684070 QKFMEJWMYKGJPX-WFASDCNBSA-N 310.398 -0.011 30 20 DBED CC[C@@H](CC#N)NC(=O)C1CCN(S(=O)(=O)NC)CC1 1645768737 WJBKBZJACQFCBH-NSHDSACASA-N 302.400 -0.029 30 20 DBED CNC(=O)c1cccc(C(=O)OCCn2ncc(C#N)c2N)n1 1646834916 ZVYRIBGUVRPQDQ-UHFFFAOYSA-N 314.305 -0.051 30 20 DBED C#CCCN[C@H]1CCN(C(=O)c2ccc(S(N)(=O)=O)o2)C1 1690668545 YLGKOCYOBQYBGZ-JTQLQIEISA-N 311.363 -0.246 30 20 DBED C#CCNC(=O)CN[C@@H](C)CCNC(=O)c1ccnc(OC)n1 1717341335 RROFKLGFSJQQGP-NSHDSACASA-N 319.365 -0.667 30 20 DBED CC[C@@H](C(=O)N(C)C[C@@H](O)CNC(=O)C#CC(C)C)N(C)C 1718774042 GQZMSSJQRPGBNM-KBPBESRZSA-N 311.426 -0.079 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)C23CCN(CC2)C3)C1 1731647308 XUVXIPNUHNZPMD-KGLIPLIRSA-N 320.437 -0.037 30 20 DBED C#CCOCCC(=O)NC1CN(Cc2nsc(N(C)C)n2)C1 1753377890 OVALNCGNMBPINI-UHFFFAOYSA-N 323.422 -0.056 30 20 DBED C#CCNC(=O)CNC[C@@](C)(NC(=O)Cc1cnc[nH]1)C1CC1 1753524941 OVXDOJSTFNUPRE-MRXNPFEDSA-N 317.393 -0.424 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@H]1CNC(=O)c1cn(CC)nn1 1754498097 UFNZNWQLSZAMPT-RYUDHWBXSA-N 318.381 -0.760 30 20 DBED C=C(C)CCNC1(CNC(=O)Cn2ncnn2)CCOCC1 1754736490 NXTWAOYPBRJXKO-UHFFFAOYSA-N 308.386 -0.106 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@]1(O)CCN(Cc2cnn(C)c2)C1 1754748745 MAIDMZIDIKSMNG-HZPDHXFCSA-N 322.409 -0.200 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@@](O)(CNC(=O)CC2(C)CC2)C1 1754756134 HREQMPNZKPPZAU-SUMWQHHRSA-N 321.421 -0.133 30 20 DBED C#CCN1CC(O)(CNC(=O)CNC(=O)C2CCCCC2)C1 1754776531 DUZKWJPTONZHCL-UHFFFAOYSA-N 307.394 -0.521 30 20 DBED Cc1nc(CN2CC3(C[C@@H](NC(=O)C#CC4CC4)CO3)C2)n[nH]1 1755061863 SLJQQSLMIIREIH-CYBMUJFWSA-N 315.377 -0.014 30 20 DBED CC#CCNCC1CC(NC(=O)CS(=O)(=O)CCOC)C1 1755213609 NGYQEHOXWXIUHT-UHFFFAOYSA-N 316.423 -0.445 30 20 DBED C#Cc1cncc(C(=O)N[C@H](C)[C@H](C)NCc2nnnn2C)c1 1755252995 NRMUYXWWBCQMMR-WDEREUQCSA-N 313.365 -0.117 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@H]2CC[C@H]1CN2CCn1cncn1 1755395412 MTSPCHJLXFPGMS-ZNMIVQPWSA-N 317.393 -0.008 30 20 DBED N#CCNC(=O)CNC[C@H]1CC[C@H](NC(=O)c2cn[nH]c2)C1 1755731972 ZWVGZMODKMCICQ-JQWIXIFHSA-N 304.354 -0.462 30 20 DBED C#CCCCC(=O)NC1CC(CNC(=O)CCNC(N)=O)C1 1755934119 QMYPEZKYHWQMNC-UHFFFAOYSA-N 308.382 -0.141 30 20 DBED C[C@@H](C#N)C(=O)N(C)C[C@@H](C)NC(=O)CN1C(=O)CN(C)C1=O 1756490348 ULILCWAASNQGAR-VHSXEESVSA-N 323.353 -0.997 30 20 DBED C=CCCC(=O)NC[C@@H](CO)NC(=O)Cn1ccc(C)cc1=O 1756508593 YDRXNVAMYONWTE-ZDUSSCGKSA-N 321.377 -0.284 30 20 DBED C[C@@H](C#N)C(=O)N1CC=C(CNC(=O)C[C@@H](C)NC(N)=O)CC1 1756769640 IRWNEUSXOJFKQM-WDEREUQCSA-N 321.381 -0.132 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCC2(C1)CN(C(=O)CC(N)=O)C2 1756830105 IDZIBMLKBUKAIN-CQSZACIVSA-N 309.366 -0.750 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(C(=O)c2nc(C)c[nH]2)C[C@H]1O 1756997507 UGJIZCYZBQMYLX-QJPTWQEYSA-N 320.349 -0.942 30 20 DBED N#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(=O)C1CC1 1792898020 DSXHPSLHMUWBLZ-DABQJJPHSA-N 319.361 -0.141 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCCN1C)C2 1800451434 YUMWFTMMOQBGBD-XFMPKHEZSA-N 305.378 -0.697 30 20 DBED C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCn1cncn1)C2 1801600282 JJQLKEWQSQOJMA-CLLJXQQHSA-N 301.350 -0.060 30 20 DBED N#Cc1ccc(S(=O)(=O)N2CCN(CC(=O)O)CC2)cc1 35126728 YEOYDCJHYNDDCW-UHFFFAOYSA-N 309.347 -0.051 30 20 DBED C#CCNC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2 45604189 NVKKJWGKEQNWTK-UHFFFAOYSA-N 324.358 -0.124 30 20 DBED C#CCNC(=O)CN1CCCN(c2c([N+](=O)[O-])ncn2C)CC1 74259678 HVJMKHJMPIMVSK-UHFFFAOYSA-N 320.353 -0.410 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)CN2CCC[C@H]2C)CC1 77987118 DPLBVVQRSFFLDQ-OAHLLOKOSA-N 320.437 -0.246 30 20 DBED C#CCN(CC(=O)O)S(=O)(=O)N1CCC[C@@H]1C(=O)OCC 92479700 IZCBLDIWEMTHRW-SNVBAGLBSA-N 318.351 -0.722 30 20 DBED C#CC[C@H](NC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1)C(=O)O 149693307 BSZOGNIALASVEW-YUMQZZPRSA-N 306.240 -0.010 30 20 DBED C[C@@H](C#N)CNC(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C 176374282 DRQLZSBTZWXNEL-QMMMGPOBSA-N 316.321 -0.087 30 20 DBED C=CCNC(=O)CNC(=O)NCCN1CCC(N(C)C)CC1 272141855 USUDCKOYUJDWCR-UHFFFAOYSA-N 311.430 -0.386 30 20 DBED C=C(C)[C@H](CC(=O)NCCNS(=O)(=O)N(C)C)OCC 297111023 OGCFVCLTPVQXJO-NSHDSACASA-N 307.416 -0.130 30 20 DBED CC[C@H](/N=C(/O)CN1CCOCC1=O)C(=O)N1CCOCC1 329888175 YLQSMRYWWVWJSP-NSHDSACASA-N 313.354 -0.561 30 20 DBED CN1CCO[C@@H]2CN(C(=O)Nc3ccn(CCC#N)n3)C[C@H]21 329970200 UWDSOEGKZFSSRR-VXGBXAGGSA-N 304.354 0.343 30 20 DBED C[C@@H](C(=O)N/C(O)=N/CC(F)(F)F)N(C)[C@@H]1COC[C@H]1O 330617721 XKFXNRSPLHDXKR-XLPZGREQSA-N 313.276 -0.341 30 20 DBED C[C@H](C/N=C(/O)N1CCO[C@H](CO)C1)CN1CCOCC1 331200354 VDBBZRJINOEUHN-OLZOCXBDSA-N 301.387 -0.438 30 20 DBED COCCN1CCC(/N=C(/O)c2cnc(O)n(C)c2=O)CC1 331219994 BCRUVAXDFONFEY-UHFFFAOYSA-N 310.354 -0.099 30 20 DBED C[C@@H](CCS(C)(=O)=O)NS(=O)(=O)N(C)C[C@@H](C)C#N 332515472 OQMGSVNFPCHUFJ-UWVGGRQHSA-N 311.429 -0.265 30 20 DBED COC[C@@H]1CCCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)C1 337092285 MEBUDWYNAFBIOB-NEPJUHHUSA-N 303.384 -0.186 30 20 DBED CC[C@@H]1CN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CCCO1 337201437 FXXQVFDELOSRTQ-NEPJUHHUSA-N 303.384 -0.044 30 20 DBED C[C@@H]1CN(C(=O)C(=O)NCc2cccc(C#N)c2)C[C@@H](CO)O1 340146666 DYJDRUPRBCHBOL-RISCZKNCSA-N 317.345 -0.217 30 20 DBED CC(C)[C@@H](C#N)NC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 343634096 FXDZZIHNCVBAMV-ZIAGYGMSSA-N 322.409 -0.169 30 20 DBED COCc1nc(Sc2c(C#N)c(=O)n(C)c(=O)n2C)n[nH]1 354408775 BGPZCBHFRKWKPT-UHFFFAOYSA-N 308.323 -0.629 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)Nc2cc(C(N)=O)ccc2F)CCO1 358430041 UDBZFYWTQHDRRK-SECBINFHSA-N 320.280 -0.386 30 20 DBED CC(C)n1cc(C#N)c(NC(=O)C(=O)NC[C@H]2CCCO2)n1 359058618 JIDKMIZHXVKBBL-LLVKDONJSA-N 305.338 0.569 30 20 DBED N#CC1(CS(=O)(=O)N2CCC[C@@H](S(N)(=O)=O)C2)CC1 361809653 RFPYIFINSFXRLP-SECBINFHSA-N 307.397 -0.627 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCN(C(C)=O)CC1 407955553 RRKXKDFVNRNZOV-LLVKDONJSA-N 302.400 -0.123 30 20 DBED C#CCN1CCN(C(=O)CN[C@H]2CCOC[C@H]2OCC)CC1 491045150 JNKOXKKSYZJZTD-LSDHHAIUSA-N 309.410 -0.453 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)Cc2cn(C)nc2C)CC1 491451454 GIOUXTRYMAVSLR-UHFFFAOYSA-N 317.393 -0.835 30 20 DBED C=CCN1CC[C@@H](N2CCN(S(=O)(=O)C3CC3)CC2)C1=O 528615057 RUBJYXZERPGGTM-CYBMUJFWSA-N 313.423 -0.117 30 20 DBED N#CC1(CNC(=O)c2nc(N)nc(N3CCOCC3)n2)CCC1 569347451 CIZPXCWVCFFUPL-UHFFFAOYSA-N 317.353 -0.286 30 20 DBED Cc1cc(NC(=O)C(=O)N(C[C@H](C)O)[C@@H](C)CO)ncc1C#N 575070606 CKFFWNOJQYOBDV-QWRGUYRKSA-N 320.349 -0.210 30 20 DBED CCS(=O)(=O)N1CC(CNC[C@H](O)CN(C)CCC#N)C1 578741961 PYFGXQVKUMRLNH-ZDUSSCGKSA-N 318.443 -0.936 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@H](N)C[C@H]2C)C1=O 584477709 QRKRPAWYWKMCMG-ZJUUUORDSA-N 308.338 -0.699 30 20 DBED C[C@@H](CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N)C(=O)O 594528077 QGQLYTMRNDRPAP-QMMMGPOBSA-N 321.337 0.285 30 20 DBED CCc1nc(C#N)cc(N2CCN(S(=O)(=O)NC)CC2)n1 596245008 UVLBVDVIMWQPBC-UHFFFAOYSA-N 310.383 -0.503 30 20 DBED CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)N(C)CC(C)(C)C#N 596747831 KALPWHIOTUFPTG-ZJUUUORDSA-N 303.384 -0.010 30 20 DBED C=CCCOCC(=O)N[C@@H](C)C(=O)N1CCS(=O)(=O)CC1 596979933 XJQRAZYVIFUDPL-NSHDSACASA-N 318.395 -0.659 30 20 DBED C=CCCOCCNC(=O)[C@H]1CCCN1C(=O)CNC(C)=O 677465902 BBKSKEIPWNKYEG-CYBMUJFWSA-N 311.382 -0.178 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCN(S(=O)(=O)N(C)C)CC1 685599834 WUWVNWKVVMSVGZ-GFCCVEGCSA-N 305.400 -0.736 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)c2ccc(-c3nn[nH]n3)nc2)CCO1 737684336 OQUKDUZAVSXVJE-MRVPVSSYSA-N 321.322 -0.825 30 20 DBED Cn1cc(C(=O)C(=O)OCC(=O)N[C@@](C)(C#N)C2CC2)cn1 748437712 YEPNEPLPNUFAJO-AWEZNQCLSA-N 304.306 -0.046 30 20 DBED C#C[C@H](NC(=O)NC[C@@H]1CCS(=O)(=O)C1)[C@H]1CCCO1 773166842 XRBXEOBWLSQGOM-SDDRHHMPSA-N 300.380 -0.099 30 20 DBED C=CCNC(=O)NC(=O)Cn1nc(C(=O)OC)cc1C(=O)OC 779799420 SUBRLSJLFKERGC-UHFFFAOYSA-N 324.293 -0.532 30 20 DBED CO[C@H](C(=O)NS(=O)(=O)CC1(C#N)CC1)c1cnn(C)c1 793194314 ICHZLZDMPGQUAF-JTQLQIEISA-N 312.351 -0.143 30 20 DBED C#CCNC(=O)[C@@H](C)OC(=O)CCC[C@]1(C)NC(=O)NC1=O 801428808 ILEIYTUVARVGKN-OTYXRUKQSA-N 309.322 -0.564 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CC[C@](C)(C(=O)NC)C1)[C@@H]1CCCO1 809311546 XUTQMICBIXAOSD-MKBNYLNASA-N 321.377 -0.732 30 20 DBED Cn1ccnc(NN=Cc2ccc(S(N)(=O)=O)cc2)c1=O 811643820 LCCZOTPTLWNCLR-UHFFFAOYSA-N 307.335 -0.126 30 20 DBED C=C[C@@H](O)C(=O)O[C@@H](C(=O)N1CCN(C(C)=O)CC1)C(C)C 814547754 GRVRAATVRDFZKS-CHWSQXEVSA-N 312.366 -0.208 30 20 DBED C=C[C@@H](O)C(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 816945372 DOXKJJUQQYKFMN-MRVPVSSYSA-N 316.301 -0.037 30 20 DBED CS(=O)(=O)CCNN=Cc1ccc(-c2nn[nH]n2)s1 821926257 CYAJPWQODCFJJZ-UHFFFAOYSA-N 300.369 -0.104 30 20 DBED C=CCNC(=O)NC(=O)CN(C)[C@@H](COC(C)C)C(=O)O 825687123 CHDKZABEUZMPNW-JTQLQIEISA-N 301.343 -0.192 30 20 DBED C=CCN1CCN(CN2CCC[C@H]2CS(=O)(=O)NC)C1=O 840021410 XZPZAJMPCSARGI-LBPRGKRZSA-N 316.427 -0.119 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@@H]1CCCC[C@@H]1CN)[C@H]1CCCO1 842164312 USJSWPSGYQISJR-XJFOESAGSA-N 307.394 -0.083 30 20 DBED C#CC[C@@H](CO)NC[C@H](O)Cn1c(-c2ccccc2)noc1=O 843077361 NXZOXVWISMCGGW-KBPBESRZSA-N 317.345 -0.162 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N1C[C@@H](C)O[C@@H](CO)C1 850712982 YZVPSXASKGZHPZ-CHWSQXEVSA-N 312.366 -0.907 30 20 DBED CN(C)c1ncc(C=NN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C=C[C@H]3O2)cn1 872425058 KZUQIYFODLYCSZ-DDHJBXDOSA-N 313.317 -0.185 30 20 DBED N#C[C@H]1CN(S(=O)(=O)N2C[C@H]3CC[C@@H](O)[C@H]3C2)CCO1 885615789 DSFFHJNVUHBRSV-NOOOWODRSA-N 301.368 -0.842 30 20 DBED C#CCN1CCC[C@@H](Nc2nc3c([nH]2)c(=O)n(C)c(=O)n3C)C1 895199524 AOKYTZLKYIHAPO-SNVBAGLBSA-N 316.365 -0.530 30 20 DBED CC(C)[C@H](C#N)N1CCN(C(=O)C[C@@H]2CC(=O)NC2=O)CC1 931385439 QGEOPYDNGXFFHW-RYUDHWBXSA-N 306.366 -0.268 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](NC(=O)c2c[nH]c(C(N)=O)c2)C1 937985490 OYIHTSBJVNLZDJ-SCZZXKLOSA-N 303.322 -0.396 30 20 DBED CN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CCN(C(=O)c2cnn[nH]2)C1 938831472 TWLIHCFQMPZAOV-JTQLQIEISA-N 313.321 -0.009 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H]1CN(C(=O)CC)CCO1 944648266 SUBSUVHQPBMBFQ-KBPBESRZSA-N 307.394 -0.162 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(NC(=O)[C@@H]2COCCN2C)CC1 948096248 IKZNIZAMFJLPSS-AAEUAGOBSA-N 308.382 -0.416 30 20 DBED C=CCN1CCC2(CC1)CN(C(=O)[C@@H]1COC(=O)N1)CCO2 949083980 VIKGKSHAPQTELR-LBPRGKRZSA-N 309.366 -0.026 30 20 DBED N#CCN1CCC2(CC1)CN(C(=O)[C@@H]1COC(=O)N1)CCO2 949083984 VLEZVYDNKWANIL-NSHDSACASA-N 308.338 -0.688 30 20 DBED Cn1cc(C(=O)NC[C@@H]2CCN2C(=O)c2cc(C#N)c[nH]2)nn1 949718537 PGADFLIJAXOPLM-JTQLQIEISA-N 313.321 -0.341 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1cnn[nH]1 950755729 SLFRRTPRGYUZKS-AAEUAGOBSA-N 316.365 -0.767 30 20 DBED CN(C(=O)[C@@H]1CCC(=O)NC1)C1CN(C(=O)C#CC2CC2)C1 954717423 YQKXPRKFIRHNNZ-GFCCVEGCSA-N 303.362 -0.405 30 20 DBED CN1C[C@@H](C(=O)N[C@@]2(C)CCN(C(=O)C#CC3CC3)C2)CC1=O 957063845 VSVFUOFEPOFFEC-GUYCJALGSA-N 317.389 -0.015 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H]2CN(Cc3cnon3)C[C@@H]2O)c1 957957607 NWTXHEPLRBRIKH-GWCFXTLKSA-N 316.321 -0.508 30 20 DBED CN(C)C(=O)CN1C[C@@H]2C(NC(=O)c3ccc(C#N)[nH]3)[C@H]2C1 958589687 FILYTBQZBFLCDP-QWRGUYRKSA-N 301.350 -0.365 30 20 DBED C#CCCN1C[C@H](CNC(=O)c2cccc(C(N)=O)n2)[C@@H](O)C1 958736244 LHBODILCXHVFJJ-FZMZJTMJSA-N 316.361 -0.774 30 20 DBED O=C(c1ncc[nH]1)N1C[C@H]2[C@@H](C1)OCCN2C(=O)C#CC1CC1 960365618 QZRCQSODCIUDBT-QWHCGFSZSA-N 314.345 -0.125 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CN(C(=O)C3(C(N)=O)CC3)C[C@H]2C1 962243573 SSPIOPNDINZOAE-GARJFASQSA-N 304.350 -0.672 30 20 DBED C#CCNC1CCC(N(C)C(=O)Cn2cnc(C(N)=O)n2)CC1 963338153 QYJHGBHDBKJTJD-UHFFFAOYSA-N 318.381 -0.631 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CN(C(=O)c3ncccn3)CCO2)C1 965461377 XTEYXRSHPNABBW-LLVKDONJSA-N 315.333 -0.310 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@H](NC(=O)c2[nH]c(O)nc2C)C1 966850413 WDPNBTJYQNUWKP-ZJUUUORDSA-N 322.365 -0.063 30 20 DBED C=CCN1CC[C@H](C)[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 968374002 KGWZCKRUDAUKKV-WCQYABFASA-N 320.393 -0.290 30 20 DBED C#CCN1CC[C@H](C)[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)C1 968596589 KGTZCJKCRBZQSK-AAEUAGOBSA-N 305.382 -0.650 30 20 DBED C=CCN1CC[C@@H](C)[C@H](NC(=O)CN2C(=O)CN(C)C2=O)C1 968626630 BVMNHHDRZCDHJJ-VXGBXAGGSA-N 308.382 -0.107 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@]2(CN(CC(=O)N(C)C)CCO2)C1 972299208 YQTFXADPUACXKN-SWLSCSKDSA-N 308.382 -0.462 30 20 DBED CC#CCN1CCO[C@@]2(CCN(C(=O)C[C@H]3CCNC3=O)C2)C1 972405241 NMSGGHSLZANNDK-PBHICJAKSA-N 319.405 -0.161 30 20 DBED C#CCCN1CCO[C@]2(CCN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 972647820 UVQZCROGDYUKHM-XJKSGUPXSA-N 305.378 -0.408 30 20 DBED C[C@H](NCc1cccc(C#N)c1)[C@H]1CN(C(=O)C(N)=O)CCO1 979357609 KWZPROOGWJHZPV-SMDDNHRTSA-N 316.361 -0.251 30 20 DBED C=CCn1cccc1C(=O)NC[C@H]1C[C@H](NC(=O)C(N)=O)C1 979944960 RICRLHUQUACCPG-XYPYZODXSA-N 304.350 -0.216 30 20 DBED C[C@@H]1[C@@H](NCc2nnn(C)n2)CCN1C(=O)c1c[nH]c(C#N)c1 986172985 HESYCKYJRFCDPD-SKDRFNHKSA-N 314.353 -0.197 30 20 DBED C=C(C)CN[C@@H]1CCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)[C@@H]1C 987103400 HIWWFQYIDLABIT-GHMZBOCLSA-N 322.365 -0.438 30 20 DBED C#CCN1CCC(C(=O)N2CC[C@@H](NCC(N)=O)[C@H]2C)CC1 987577612 VGDCUXDMVJDCDM-TZMCWYRMSA-N 306.410 -0.604 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)CC(N)=O)[C@@H]1C 988278688 LFCJYDJXGKMDOR-YXMPFFBPSA-N 323.393 -0.051 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCN(C(=O)C3CC3)C[C@@H]2O)nn1 991481327 BEOBTHKSWFGROM-YPMHNXCESA-N 319.365 -0.434 30 20 DBED C=C1CC(C)(C(=O)N2CC[C@@H](NC(=O)c3cnn[nH]3)[C@H](O)C2)C1 991589855 PULCZZGFDTXHFK-ZYHUDNBSSA-N 319.365 -0.147 30 20 DBED C=CCn1cccc1C(=O)N1CC(NC(=O)Cn2nccn2)C1 991961340 WWCCBMMUNTXVCW-UHFFFAOYSA-N 314.349 -0.094 30 20 DBED CCCCN1CCOC[C@@H]1C(=O)NC1CN(C(=O)[C@@H](C)C#N)C1 996326302 UXAHVPXQYITSOO-GXTWGEPZSA-N 322.409 -0.026 30 20 DBED CN(C(=O)[C@H]1CN2CC3CC2(CO1)C3)C1CC(NCC#N)C1 999145133 IUDAGGCHBMYYMH-MHCOZEDOSA-N 304.394 -0.048 30 20 DBED N#Cc1cc(C(=O)NC2CCN([C@@H]3CCNC3=O)CC2)c[nH]1 1002649078 QITLUKNUFVPUKC-CYBMUJFWSA-N 301.350 -0.031 30 20 DBED CC(C)N1CCO[C@H](C(=O)NCC2CN(C(=O)[C@H](C)C#N)C2)C1 1003793654 OSQRHZHZLMQYCX-OCCSQVGLSA-N 322.409 -0.170 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)C(N)=O)CC[C@@H]2C)cn1 1005097836 SEVVFCJVSUWFCK-GXFFZTMASA-N 314.345 -0.485 30 20 DBED C[C@@H](NC(=O)c1ncn(C)n1)C1CN(C(=O)C#CC2CC2)C1 1006030286 LRBKBECPMLMNIV-SNVBAGLBSA-N 301.350 -0.195 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@H](CNC(=O)c3nccnc3N)[C@H]2C1 1008902384 TUOKCGYIPJOSRP-DBIOUOCHSA-N 314.349 -0.347 30 20 DBED C#CCCN1CCC[C@H](NC(=O)CN2C(=O)CN(C)C2=O)C1 1009459642 LBAXLSNJZWILMX-LBPRGKRZSA-N 306.366 -0.516 30 20 DBED C#CCN1CCC2(CC1)C[C@@H]2NC(=O)CN1CC(=O)NC1=O 1016878936 AWBTVVAZOZNZRO-NSHDSACASA-N 304.350 -0.858 30 20 DBED C=C(Cl)CN[C@H]1CCN(C(=O)CN2CCOCC2=O)C1 1018974435 IUCTVJBOSSQXAG-NSHDSACASA-N 301.774 -0.212 30 20 DBED CC#CCN1CCC[C@@H]1CNC(=O)C1CC2(C1)NC(=O)NC2=O 1028196076 BVYWEUJNVDDFNJ-BWBHSNQOSA-N 318.377 -0.422 30 20 DBED CC#CCN1[C@H]2CC[C@H]1CN(C(=O)[C@H]1CN(C(C)=O)CCO1)C2 1029569842 HMMRPWYADPPRLZ-HRCADAONSA-N 319.405 -0.068 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)c3cnc(C)n3C)C2)C1=O 1030844685 ZXLAHUATQABPMV-ZDUSSCGKSA-N 317.393 -0.071 30 20 DBED C=CCn1cc(C(=O)NC2CN([C@@H](C)c3nncn3C)C2)nn1 1031069905 FXMJRHYYRWBVTH-JTQLQIEISA-N 316.369 -0.232 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)CN2CCCS2(=O)=O)C1 1033130856 IRDAONKLHMFECW-GFCCVEGCSA-N 301.412 -0.259 30 20 DBED N#CCN[C@H]1CC[C@H](NC(=O)Cn2ccc(O)nc2=O)CC1 1034685512 VDJNJPKPIWIFIA-XYPYZODXSA-N 305.338 -0.511 30 20 DBED CC(C)N1C[C@@H](C(=O)NC[C@@H]2CN(CC#N)CCO2)CC1=O 1035392813 WSXGKVPTPQNMCB-QWHCGFSZSA-N 308.382 -0.416 30 20 DBED C#CCCN1CCO[C@H](CNC(=O)[C@H]2CCNC(=O)CC2)C1 1035460387 IRTSNYSZUVIJHX-ZIAGYGMSSA-N 307.394 -0.257 30 20 DBED CC(=O)Nc1cc(C(=O)NC[C@@H]2CN(CC#N)CCO2)ccn1 1035554971 IPZSTSAOGYCYRL-CYBMUJFWSA-N 317.349 -0.006 30 20 DBED C#CCN1CC[C@H]2CN(C(=O)c3nnc(O)nc3O)CC[C@H]21 1036761993 CBDGNLWYXBXFDF-VHSXEESVSA-N 303.322 -0.548 30 20 DBED C=CCN1CC[C@@H](N2CC[C@@H]2CNC(=O)c2cnnn2C)C1=O 1038214112 KKQCTCPWAWZABV-VXGBXAGGSA-N 318.381 -0.594 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2CCN2CC(=O)N(C)C)cn1 1038931851 KPVNBNXSJAMKPG-AWEZNQCLSA-N 300.362 -0.045 30 20 DBED N#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CN1CCCNC1=O 1039399566 HCCNAVPMXMCMDG-OLZOCXBDSA-N 305.382 -0.009 30 20 DBED CCNC(=O)CC(=O)N1CC[C@@](O)(CNC(=O)C#CC2CC2)C1 1039680728 LTEOUEHJUOWYPX-MRXNPFEDSA-N 321.377 -0.994 30 20 DBED C=C(C)CCC(=O)NC[C@@]1(O)CCN(C(=O)[C@H]2CNC(=O)N2)C1 1039986346 BHMRTEHXUKWAMI-ABAIWWIYSA-N 324.381 -0.896 30 20 DBED CN(C)CCC(=O)NC[C@]1(O)CCN(C(=O)C#CC2CC2)C1 1040797731 KMWDVCBLEHPQIR-MRXNPFEDSA-N 307.394 -0.569 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(O)(CNC(=O)c2ccncc2)C1 1041172125 UVMSJADSWFAHQH-OAHLLOKOSA-N 319.361 -0.288 30 20 DBED CC(=O)N[C@H](C)C(=O)NCC1(O)CN(C(=O)C#CC(C)(C)C)C1 1041336085 QARLMAILCJAORN-LLVKDONJSA-N 323.393 -0.750 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2cc(C)on2)C1 1041369897 BQAMEYRZHBDUTP-NSHDSACASA-N 323.349 -0.123 30 20 DBED N#Cc1nccnc1N[C@H]1C[C@@H](NC(=O)C(N)=O)C12CCC2 1041614009 XDBAJSARXHJEOY-VHSXEESVSA-N 300.322 -0.327 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)C[C@@H]2CCCC(=O)N2)C1 1041956415 KRQURTAUQOWGSF-LBPRGKRZSA-N 323.393 -0.299 30 20 DBED CCc1oncc1C(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042963671 RHEMBZBZBZNHNN-UHFFFAOYSA-N 317.345 -0.047 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H]2CN(c3nccnc3C#N)C[C@@H]21 1043682197 WHBRMKZSWPSYPX-WCFLWFBJSA-N 312.333 -0.076 30 20 DBED CC#CCCCC(=O)NCC1(O)CN(C(=O)c2nc[nH]n2)C1 1044993908 HCDFDBPJCGXBDP-UHFFFAOYSA-N 305.338 -0.699 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)CCN(C)C)C1 1045720243 OHYYVILSXXFSGN-LBPRGKRZSA-N 313.398 -0.781 30 20 DBED C#CCN1CC[C@H](N2CCN(C(=O)[C@H](C)n3cncn3)CC2)C1 1046021834 GTQLMROKDBADMP-GJZGRUSLSA-N 316.409 -0.309 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)C2(CF)CC2)C1 1046354668 PYTCYJUGCPCEQQ-NSHDSACASA-N 312.341 -0.536 30 20 DBED C[C@H]1CCN(CC(=O)NCC2(O)CN(C(=O)[C@H](C)C#N)C2)C1 1046677075 OTDJGGFQOQUGSO-NWDGAFQWSA-N 308.382 -0.823 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2nc(C)c(C)[nH]c2=O)C1 1047423171 IMKTVAQGEAGSDB-RYUDHWBXSA-N 304.350 -0.863 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)C2CCN(C(C)=O)CC2)C1 1047621720 YVDRRINPQRWDDB-GJZGRUSLSA-N 309.410 -0.066 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CN(CC)CCO2)C1 1047634195 ZBCQVHXSXYSVIF-KKUMJFAQSA-N 309.410 -0.766 30 20 DBED Cc1cc(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)C#N)C2)n[nH]1 1049388068 FWVZHVJMQXOZIR-UWJYBYFXSA-N 305.338 -0.479 30 20 DBED CC#CCN1C[C@@H]2CCCN(C(=O)Cn3cnnc3O)[C@@H]2C1 1050027035 ZBUIYTMCEOWTDS-QWHCGFSZSA-N 303.366 -0.070 30 20 DBED C=C(C)CCN1CCOC[C@@H]1CNC(=O)C1CS(=O)(=O)C1 1050937079 OISKNZZEMLAESX-ZDUSSCGKSA-N 316.423 -0.186 30 20 DBED C#CCCN1CCOC[C@H]1CNC(=O)[C@@H]1CCc2nncn2C1 1051254056 DHMXDGYYADNKKJ-ZIAGYGMSSA-N 317.393 -0.319 30 20 DBED Cn1ccc(C(=O)N2CC[C@@H](N3CCN(CC#N)CC3)C2)n1 1052118696 UQNWRFRMPVWJAE-CYBMUJFWSA-N 302.382 -0.224 30 20 DBED C[C@@H](C(N)=O)N1CC2(CN(C(=O)c3ccc(C#N)[nH]3)CCO2)C1 1053217606 XMEIZLWCCPKDOH-JTQLQIEISA-N 317.349 -0.713 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)[C@@H]1CCNC(=O)C1)CCO2 1053219718 WNUYJECGCCFJIF-CYBMUJFWSA-N 305.378 -0.551 30 20 DBED C#CCN1CC2(C1)CN(C(=O)C(C)(C)N1CCOCC1)CCO2 1053471202 BSRDLHSINPDDPV-UHFFFAOYSA-N 321.421 -0.356 30 20 DBED C#CCN1CC2(C1)CN(C(=O)[C@@H]1CCN(C(=O)CC)C1)CCO2 1053499350 ZCCYHHQCPKSPCJ-CQSZACIVSA-N 319.405 -0.209 30 20 DBED CC#CCN1CC2(CC[C@@H](CNC(=O)[C@H]3COC(=O)N3)O2)C1 1053596444 UXEXWYRXBXEJRT-NWDGAFQWSA-N 307.350 -0.532 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)[C@H]3CN4CCC3CC4)CO2)C1 1053803613 WTGGAVWKMNWFMH-CABCVRRESA-N 303.406 -0.079 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)[C@@H]3CCC(=O)NC3)CO2)C1 1053856056 ZZMUEYXQXXMQEF-OLZOCXBDSA-N 305.378 -0.505 30 20 DBED N#Cc1cncc(N2C[C@H]3[C@H](NC(=O)CN4CCCC4)[C@H]3C2)n1 1056226052 RGQIOPFHEQIUSR-VIKVFOODSA-N 312.377 -0.005 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H]2[C@@H]1CCN2C(=O)CNC(N)=O 1056540561 LRLNUURGUDUOFI-VWYCJHECSA-N 307.354 -0.594 30 20 DBED C=CCO[C@H](C)C(=O)NCCN(CCO)C(=O)c1cncnc1 1057408037 QXNHGWSIWTUTOE-GFCCVEGCSA-N 322.365 -0.382 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)c1cccnn1 1057521527 IMSOJRHZWYIRBM-UHFFFAOYSA-N 304.350 -0.313 30 20 DBED C=C1CC(C)(C(=O)NCCN(CCO)C(=O)Cn2nccn2)C1 1057701125 TYQNDDOXGQUKMR-UHFFFAOYSA-N 321.381 -0.429 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@@H]1C[C@H]1C 1057962092 HHBRBVRBOIGNGU-KFWWJZLASA-N 321.421 -0.323 30 20 DBED CN1CCOC[C@@H]1C(=O)N[C@@H]1CCN(c2nccnc2C#N)C1 1058318698 FCMBXHKGFWBRFW-DGCLKSJQSA-N 316.365 -0.626 30 20 DBED N#Cc1ccc(N2CC[C@H](NC(=O)C[C@@H]3COC(=O)C3)C2)nn1 1058339036 ICWUAWXNGHUJBN-JQWIXIFHSA-N 315.333 -0.004 30 20 DBED CC#CCCCC(=O)N(CCO)CCNC(=O)[C@H]1CCC(=O)N1 1058444087 BRHVRYZTEVTNGK-CYBMUJFWSA-N 323.393 -0.604 30 20 DBED N#Cc1ccc(N2CC[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)nn1 1058545169 QCAPDQRVGZNDDE-MXWKQRLJSA-N 300.322 -0.835 30 20 DBED C#CCOCCC(=O)NCC[C@H]1CCN(C(=O)c2cnn[nH]2)C1 1059904010 PEMFDWAWGDYYJP-LBPRGKRZSA-N 319.365 -0.187 30 20 DBED N#Cc1nccnc1N1CC[C@@H](CNC(=O)[C@@H]2COCCO2)C1 1061526171 XMUUHPPAVYCIKW-AAEUAGOBSA-N 317.349 -0.294 30 20 DBED CCCN(C)CC(=O)NC[C@H]1COCCN1C(=O)[C@@H](C)C#N 1061740760 FWWMZFRDDKCTMA-STQMWFEESA-N 310.398 -0.169 30 20 DBED C=CCOCC(=O)N1CCOC[C@H]1CNC(=O)c1cccnn1 1061810076 OITKRPIQXGRERU-GFCCVEGCSA-N 320.349 -0.364 30 20 DBED C#CCNC(=O)CC(=O)NC1(CNC(=O)[C@H]2CCCO2)CCC1 1062470028 GERAYHGONMLQKR-GFCCVEGCSA-N 321.377 -0.540 30 20 DBED N#Cc1cccnc1N1C[C@@H]2C[C@H]1CN2C(=O)Cn1ncnn1 1062531233 CVMFEDQIBXPYDT-RYUDHWBXSA-N 310.321 -0.571 30 20 DBED C=CCOCC(=O)NCC1(NC(=O)[C@@H](C)NC(C)=O)CCC1 1062702608 WYFPVKQRUXOMFV-LLVKDONJSA-N 311.382 -0.131 30 20 DBED CN(C(=O)[C@H]1COCCO1)[C@H]1CCN(c2ccc(C#N)nn2)C1 1062886008 LMEXKAUZBRHALN-QWHCGFSZSA-N 317.349 -0.199 30 20 DBED CN(C(=O)Cn1cncn1)[C@@H]1CCN(c2cncc(C#N)n2)C1 1062933018 MDAYCEJXRRYGPZ-GFCCVEGCSA-N 312.337 -0.323 30 20 DBED C=CCO[C@H](C)C(=O)NCC1(NC(=O)c2nnn(C)n2)CCC1 1063427842 KRUFVBVJDLASIQ-SNVBAGLBSA-N 322.369 -0.430 30 20 DBED C=CCCC(=O)N1CCO[C@H](CNC(=O)[C@H]2CCC(=O)N2)C1 1064955405 GVVNTLQPTUHXHN-VXGBXAGGSA-N 309.366 -0.425 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CCN(C)C2)CCO1 1065169620 OSPMJVFEDSJZIN-HUUCEWRRSA-N 321.421 -0.059 30 20 DBED N#CCSCC(=O)NC[C@H]1CN(C(=O)c2nc[nH]n2)CCO1 1065447538 PNOLDAPFBAGQFV-VIFPVBQESA-N 324.366 -0.981 30 20 DBED C=CCCCC(=O)NC[C@H]1CN(C(=O)C2(C(N)=O)CC2)CCO1 1065543803 FXBCFEYJRDEDJN-LBPRGKRZSA-N 323.393 -0.048 30 20 DBED Cc1cc(C#N)nc(NC[C@@H]2CN(C(=O)C(N)=O)C[C@@H]2C)n1 1065899975 GUQPKMBLDRSFBO-WCBMZHEXSA-N 302.338 -0.352 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H](CNc2nccn3nnnc23)C1 1066601716 DOYPZAYNYNBUEV-ZJUUUORDSA-N 316.325 -0.682 30 20 DBED N#Cc1nccc(N2C[C@H](CNC(=O)c3cnco3)[C@@H](O)C2)n1 1067688896 NFZKMAMPMWZLAV-UWVGGRQHSA-N 314.305 -0.437 30 20 DBED C[C@H]1CCN(c2ncc(C#N)cc2F)C[C@H]1NC(=O)C(N)=O 1067988927 IPBRILJIAPCOCT-GZMMTYOYSA-N 305.313 -0.091 30 20 DBED C[C@H]1C[C@@H](CN=c2cc[nH]c(C#N)n2)CN1C(=O)c1nc[nH]n1 1068342322 WBKVKNQCBJKUEJ-UWVGGRQHSA-N 312.337 -0.149 30 20 DBED N#Cc1ccc(C(=O)NCc2cnn3c2CN(CCO)CC3)[nH]1 1069857947 VRPJIPWZIZEJBI-UHFFFAOYSA-N 314.349 -0.179 30 20 DBED CC(=O)NCC(=O)NCC1(NC(=O)C#CC2CC2)CCOCC1 1070110923 NATUQIIHKISHDA-UHFFFAOYSA-N 321.377 -0.683 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)[C@@H]2CCN(C)C2)CCOCC1 1070232421 JHDFPODETHEODU-QWHCGFSZSA-N 322.409 -0.121 30 20 DBED C=CCOCC(=O)N1CCC[C@@H](NC(=O)[C@@H]2CCNC2=O)C1 1070554387 OLAUQUKEGLCNDE-VXGBXAGGSA-N 309.366 -0.568 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)CN4CCCC4=O)C[C@@]3(C1)O2 1070757253 NDKAVNWQWDSHBM-CKEIUWERSA-N 317.389 -0.456 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)c4ccnn4C)C[C@@]3(C1)O2 1070773223 UTXPSBANDXMKEU-XJKCOSOUSA-N 300.362 -0.031 30 20 DBED C[C@@H](C(N)=O)N1C[C@H]2C[C@@H]3CN(C(=O)C#CC4CC4)C[C@@]3(C1)O2 1070797875 CPMYCGTWOZAMJH-ZCTGUTNYSA-N 317.389 -0.425 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CCCN(C(=O)[C@H](C)N2CCOCC2)C1 1070966439 WRHMBWANXJNPTN-MELADBBJSA-N 322.409 -0.026 30 20 DBED C=CCCN1CCNC(=O)CCN(C(=O)Cn2nccn2)CC1 1070968323 ZPJXNDZNGYXBSP-UHFFFAOYSA-N 320.397 -0.495 30 20 DBED Cc1c(C(=O)N2C[C@H](C)O[C@]3(CCN(CC#N)C3)C2)nnn1C 1071149916 UAFKXAOPRRBXAR-NHYWBVRUSA-N 318.381 -0.048 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)C(=O)NCC2CC2)C[C@@H]1C 1072610471 BOAFLERQYLBXQB-WCQYABFASA-N 323.393 -0.322 30 20 DBED C=CCOCC(=O)N[C@H]1CN(C(=O)CCc2cnn[nH]2)C[C@H]1C 1072764368 MUVFXPOIQKARNT-YPMHNXCESA-N 321.381 -0.097 30 20 DBED C#CCO[C@H](C)C(=O)NC1(C)CCN(C(=O)c2nc[nH]n2)CC1 1073190133 BOVJBEGODFVCEK-LLVKDONJSA-N 319.365 -0.046 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)c2ccn(C)c(=O)c2)C1 1073665599 YUMCEANIDWHTGI-CQSZACIVSA-N 303.362 -0.161 30 20 DBED CC(=O)N1CCC[C@H]1C(=O)NC[C@H]1CN(CC#N)CCCO1 1073863068 FGHOKYLTQISQDL-KBPBESRZSA-N 308.382 -0.272 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2ccnn2CC2CCC2)C1 1077002766 GMPSKFMSIBRVMI-TZMCWYRMSA-N 303.366 -0.018 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2CN([C@H](C)COC)C[C@H]2O)c1 1077649909 KFGKCUCVOBVCTF-KCPJHIHWSA-N 303.362 -0.127 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)c2ccc3ncn(C)c3n2)C1 1077671896 JMOFWCAZDAFPMJ-ZIAGYGMSSA-N 313.361 -0.234 30 20 DBED C#CCN1C[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)[C@H](C)C1 1080774514 VXJPHWKVXBIBBV-MWLCHTKSSA-N 300.322 -0.899 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CCSC)C1 1081231124 KSWWGWLWPUWBFG-NWDGAFQWSA-N 316.423 -0.122 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CCn2cncn2)C1 1081267456 JPRMBQZWCYEWBD-QWHCGFSZSA-N 321.381 -0.430 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(C(=O)c2cccnn2)C[C@H]1O 1081471450 NPOWYUYRYINJBE-TZMCWYRMSA-N 314.345 -0.561 30 20 DBED CC(=O)NCC(=O)N1C[C@H](O)[C@H](CNC(=O)C#CC(C)(C)C)C1 1081473872 LDJCXXSCFFTJOP-OLZOCXBDSA-N 323.393 -0.893 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)Cc2nc[nH]n2)C1 1081791825 XEFFBZPMGRWWNU-GHMZBOCLSA-N 307.354 -0.751 30 20 DBED C[C@H](C(=O)N(C)C)N1C[C@H]2[C@@H](C1)OCCN2C(=O)C#CC1CC1 1083077354 DBPRUCXAYBOWCM-VHDGCEQUSA-N 319.405 -0.212 30 20 DBED C=C(C)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cn(C)c(=O)cn1 1083148735 CMAUFWXOQUZNJC-UONOGXRCSA-N 318.377 -0.118 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)Cc2cn3c(n2)CCCC3)C1 1083477989 ONANZPSPZZHXTM-CABCVRRESA-N 316.405 -0.054 30 20 DBED CCOc1cccc(CC(=O)N[C@@H]2CN(CC#N)C[C@@H]2O)n1 1083658220 MWOBIQWTBVHDNT-OLZOCXBDSA-N 304.350 -0.292 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCc3nc(C)nn3C2)C1 1083662663 DFAJTNXCTXJPQN-UPJWGTAASA-N 305.382 -0.504 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCCCN(C)C2=O)C1 1083947270 NEKRDSBIFJMHHH-MJBXVCDLSA-N 307.394 -0.571 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2COc3ccccc3O2)C1 1084022316 BWINPQIWZSGGDA-XUJVJEKNSA-N 302.330 -0.379 30 20 DBED C#CCN1CC[C@@H]2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@@H]21 1085031366 TVUVCVDEBGECDK-ZOBORPQBSA-N 305.378 -0.425 30 20 DBED CC#CCN1CC[C@H](NC(=O)[C@@H]2CN(C(C)=O)CCO2)[C@H]1C 1089014711 JLGPWELEKRJGAU-SNPRPXQTSA-N 307.394 -0.164 30 20 DBED C[C@@H](C[C@H](C)NC(=O)C(C)(C)C(N)=O)N=c1cc[nH]c(C#N)n1 1089414300 ZXAIMEQRKMKAJF-UWVGGRQHSA-N 318.381 -0.023 30 20 DBED CN(C)c1ccc(C(=O)N[C@H]2CCN(CC#N)C[C@@H]2O)nc1 1090840046 VTOHPUWWQUEOQI-JSGCOSHPSA-N 303.366 -0.164 30 20 DBED CCO[C@H](CC)C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1091078345 NUNHRRAFUURQQB-GRYCIOLGSA-N 319.365 -0.171 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(c2ncc(F)cn2)C[C@H]1O 1092154115 ROIBEBSARKXZNO-VXGBXAGGSA-N 310.329 -0.126 30 20 DBED COCCOCC(=O)N1CCN(c2cnc(C#N)cn2)CC1 1093151355 MUUAIDKRCYCNJF-UHFFFAOYSA-N 305.338 -0.340 30 20 DBED CCC(=O)N[C@H](C)C(=O)N1CCN(c2nccnc2C#N)CC1 1093200637 VAACAUJGOAVMCK-LLVKDONJSA-N 316.365 -0.088 30 20 DBED CC(=O)N[C@H](C)C(=O)N[C@H]1[C@@H]2CN(c3cnc(C#N)cn3)C[C@@H]21 1093207874 OBQKQNCZVMACSB-XFOOOJQKSA-N 314.349 -0.576 30 20 DBED Cc1cc(C(=O)N[C@@H]2CC(=O)N(C3CN(CC#N)C3)C2)n[nH]1 1094711946 RJAUTMUEVXXCFF-SNVBAGLBSA-N 302.338 -0.743 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)C3CC(OCC)C3)CC2=O)C1 1094729971 OYNXLMSITGPLQJ-JVWICGRDSA-N 319.405 -0.164 30 20 DBED CCN(CCCNC(=O)[C@H]1CCC(=O)N1)c1cnc(C#N)cn1 1095847519 ZGFTZYHAXWVJEM-GFCCVEGCSA-N 316.365 -0.041 30 20 DBED CCN(CCCNC(=O)[C@H]1CNC(=O)N1)c1ncccc1C#N 1095959961 KBOCUGTVPLVCOW-GFCCVEGCSA-N 316.365 -0.033 30 20 DBED C[C@@H](CC(=O)N[C@H]1C[C@H](N=c2cc[nH]cc2C#N)C1)NC(N)=O 1097071332 KFKFERJMUZJUDF-DLOVCJGASA-N 316.365 -0.119 30 20 DBED C[C@@H](NC(=O)CC(N)=O)[C@@H]1CCCN(c2nccnc2C#N)C1 1097516292 BPXKMKANLWQIHD-GHMZBOCLSA-N 316.365 -0.055 30 20 DBED CC#CCN(CCO)C1CCN(C(=O)[C@H]2CC[C@H]2C(N)=O)CC1 1098447178 BXVZDGLNXAVXES-CABCVRRESA-N 321.421 -0.194 30 20 DBED N#CCNC(=O)CN1CC[C@H](NC(=O)c2ccco2)[C@H](O)C1 1099624901 UVROEHNFSYKFOG-WDEREUQCSA-N 306.322 -0.916 30 20 DBED C=CCCCCCN1CC[C@@H](NC(=O)Cn2cnnn2)[C@H](O)C1 1099645135 MVHIOKNYNXEBDF-ZIAGYGMSSA-N 322.413 -0.029 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(Cc2nc(C)no2)C[C@H]1O 1099741051 NIYXSTVKXWIZIW-NWDGAFQWSA-N 310.354 -0.368 30 20 DBED CCN(C)C(=O)CN1CC[C@H](NC(=O)C#CC2CC2)[C@@H](O)C1 1099813250 MPWZLWJKRDOMIO-KBPBESRZSA-N 307.394 -0.571 30 20 DBED C=C1CC(C)(C(=O)N[C@H]2CCN(CC(=O)NC(N)=O)C[C@@H]2O)C1 1099994929 YTWQEFFWWCBJFH-QWRGUYRKSA-N 324.381 -0.911 30 20 DBED CC(=O)NC1(C(=O)N[C@@H]2CCN(CC#N)C[C@H]2O)CCCC1 1100032084 OUMHBJRSDIXOGZ-CHWSQXEVSA-N 308.382 -0.490 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)CCN2CCOCC2)[C@@H](O)C1 1100037217 VYZBQWPHTFSCEO-GJZGRUSLSA-N 311.426 -0.164 30 20 DBED COCCCCC(=O)NCC1CC(NCC(=O)NCC#N)C1 1100170191 BJHVOPFAZTZDLR-UHFFFAOYSA-N 310.398 -0.073 30 20 DBED Cc1cc(C#N)nc(N(C)CCNC(=O)c2nnn(C)n2)n1 1100264206 DEJQUZZAEAVBMH-UHFFFAOYSA-N 301.314 -0.954 30 20 DBED CCN(CCNC(=O)CSCC#N)c1nccn2nnnc12 1100450264 QQVCDPBJCNNNLX-UHFFFAOYSA-N 320.382 -0.281 30 20 DBED CC#CCNC1CC(CNC(=O)CN(C)CC(=O)NC(C)C)C1 1100478315 MMIZXKWNGZCZTL-UHFFFAOYSA-N 322.453 -0.050 30 20 DBED CCN(CCNC(=O)Cc1nc[nH]n1)c1nccnc1C#N 1100611601 IRGJBTMQZLHFEP-UHFFFAOYSA-N 300.326 -0.348 30 20 DBED Cc1ccc(C#N)c(N2CC[C@@H](CNC(=O)CNC(N)=O)C2)n1 1100928091 WUFQKWLDAMETTH-NSHDSACASA-N 316.365 -0.128 30 20 DBED N#Cc1cnc(N2CC[C@@H](CNC(=O)CC(N)=O)C2)c(F)c1 1100948275 MCSYCYTYHXONNG-VIFPVBQESA-N 305.313 -0.090 30 20 DBED C[C@H](C(N)=O)N1C[C@@H]2CN(C(=O)CSCC#N)C[C@]2(C)C1 1101135096 HAYVSIQOCPXUHT-GYSYKLTISA-N 310.423 -0.103 30 20 DBED C=CCN1CC2(C[C@@H](NC(=O)C3(C(N)=O)CC3)c3nccn32)C1 1101641505 RWGVADSQKWOIIR-LLVKDONJSA-N 315.377 -0.094 30 20 DBED CCN(C(=O)CC(N)=O)[C@H]1CCN(c2ccnc(C#N)n2)C1 1102783759 GLKVNBAAECBYAM-JTQLQIEISA-N 302.338 -0.349 30 20 DBED CC[C@@H](CNC(=O)[C@H]1COCCN1C)Nc1ccc(C#N)nn1 1103036181 HMLAYTBFGVSYBW-WCQYABFASA-N 318.381 -0.014 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CN(C)CCO1)CNc1ccc(C#N)nn1 1103890477 YFMZOMRNRBAMTC-YPMHNXCESA-N 318.381 -0.157 30 20 DBED C[C@H](CNC(=O)[C@H]1COCCN1C)CNc1ccc(C#N)nn1 1103922609 GTUOWNIGMLSQGC-WCQYABFASA-N 318.381 -0.157 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H]1CCC[C@@H]1NC(=O)CNC(N)=O 1105653900 BXJQABMEPSYTKA-MFKMUULPSA-N 316.365 -0.260 30 20 DBED C[C@](O)(CC(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1)C1CC1 1105826550 HJHSZJZPKHGFTP-ABAIWWIYSA-N 319.365 -0.790 30 20 DBED C[C@@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)[C@H](C)NC(N)=O 1106297328 BSPVLDPVBWHPME-IUCAKERBSA-N 305.342 -0.866 30 20 DBED C[C@H](CCNc1cnc(C#N)cn1)NC(=O)[C@@H]1CN(C)C(=O)N1 1106518499 CKBDJRULTMMXDQ-KOLCDFICSA-N 317.353 -0.321 30 20 DBED N#CCSCC(=O)NCc1cn(C2CN(CCO)C2)nn1 1107129512 BUQKPHSKNHDECO-UHFFFAOYSA-N 310.383 -1.000 30 20 DBED CC[C@@H](C(N)=O)N1CC(n2cc(CNC(=O)[C@H](C)C#N)nn2)C1 1107149710 OIGBMIAUPWZUDY-SKDRFNHKSA-N 319.369 -0.825 30 20 DBED C#CCOCCC(=O)NC/C=C\CNc1ccc2nnnn2n1 1107343632 CUSJKKSELFRFRU-ARJAWSKDSA-N 315.337 -0.357 30 20 DBED CCCNC(=O)CN1CCO[C@](C)(CNC(=O)[C@@H](C)C#N)C1 1107821019 HSDHRMQVMHZTSL-SWLSCSKDSA-N 310.398 -0.121 30 20 DBED COCC#CCN1CCO[C@@](C)(CNC(=O)Cc2cc[nH]n2)C1 1107836072 PMHCAIUIFPFHTO-INIZCTEOSA-N 320.393 -0.191 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)CC(=O)NCC1CC1 1107929146 VWIQTHMUOJSUQI-SNVBAGLBSA-N 316.365 -0.397 30 20 DBED C=CCCN1CCO[C@](C)(CNC(=O)Cn2ncn(C)c2=O)C1 1108037083 BBNGYXDJUBKQTP-OAHLLOKOSA-N 323.397 -0.635 30 20 DBED CCn1nc(C(=O)NC[C@@]2(C)CN(CC#N)CCO2)ccc1=O 1108284595 XPAJUSRETWKTBF-HNNXBMFYSA-N 319.365 -0.393 30 20 DBED C[C@@H](CC(N)=O)C(=O)N[C@H](C)CN(C)c1ccnc(C#N)n1 1109205901 PWXSFVVXSZVZAM-VHSXEESVSA-N 304.354 -0.199 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H](NC(=O)CNC(N)=O)C1CC1 1109754375 ZFQGZNZABKDQQZ-GFCCVEGCSA-N 302.338 -0.650 30 20 DBED C[C@@]1(NC(=O)CCNC(N)=O)CCN(c2ccc(C#N)nn2)C1 1110760701 TVUIRAUEMKZMBG-CQSZACIVSA-N 317.353 -0.508 30 20 DBED C#CCO[C@@H](C)C(=O)N(CCO)CCNc1cnc(C#N)cn1 1111510989 SBQOSKSZTUCKOU-LBPRGKRZSA-N 317.349 -0.381 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)C2=COCCC2)CC1 1112679035 NJHNMPISCXYJPM-CYBMUJFWSA-N 305.378 -0.037 30 20 DBED C[C@H](NC(=O)CCn1cnnn1)[C@@H](C)N=c1cc[nH]cc1C#N 1113124202 KDTPHNJQEZBPFG-MNOVXSKESA-N 314.353 -0.243 30 20 DBED C[C@@H](NC(=O)Cn1nccn1)[C@@H](C)Nc1nccnc1C#N 1113173988 WYJXZZXUENCTFE-NXEZZACHSA-N 300.326 -0.055 30 20 DBED Cc1cc(=N[C@H](C)[C@H](C)NC(=O)Cn2ncnn2)c(C#N)c[nH]1 1113192819 BXXKVRPAWDWNLE-MNOVXSKESA-N 314.353 -0.325 30 20 DBED C[C@H](N=c1cc[nH]cc1C#N)[C@H](C)NC(=O)C1(C(N)=O)CC1 1113274768 VMUSVJKWKDSPKU-UWVGGRQHSA-N 301.350 -0.054 30 20 DBED C[C@H](CNC(=O)c1cnn(C)n1)N(C)c1cncc(C#N)n1 1113652084 PRJMDHUUJONHLD-SECBINFHSA-N 300.326 -0.269 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)CNC(=O)OC)[C@H]2C1 1113948012 KUKLOHNWKAZKIU-MEWQQHAOSA-N 324.381 -0.921 30 20 DBED CCN(CCC#N)C(=O)CN1C[C@H]2[C@H](NC(=O)[C@@H](C)C#N)[C@H]2C1 1114064454 REJKGPLBBQMESX-RMRHIDDWSA-N 317.393 -0.045 30 20 DBED CCn1ncc(C(=O)N[C@H]2[C@@H]3CN(CC#CCOC)C[C@@H]32)n1 1114217138 KMMAMTPFRSMNBH-IMRBUKKESA-N 303.366 -0.392 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H]1[C@@H]2CN(CCOCCOC)C[C@@H]21 1114270677 JEGHRBPXYGJPJV-BYNSBNAKSA-N 310.394 -0.266 30 20 DBED COCC#CCN1C[C@@H]2C(NC(=O)CCc3cnn(C)n3)[C@H]2C1 1114841497 XJKZDHZUSZZTQE-KBPBESRZSA-N 317.393 -0.556 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)[C@H]2C1 1114859355 PHTJKALNVRCKPI-DGTMBMJNSA-N 317.389 -0.650 30 20 DBED C=CCN1C[C@H]2C(NC(=O)C(C)(C)NS(C)(=O)=O)[C@@H]2C1 1114943333 YBYCFXPRNBTJIS-NXEZZACHSA-N 301.412 -0.453 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)Cn3cncn3)[C@H]2C1 1115213476 WUFUDPRWOIJKHE-NMKXLXIOSA-N 318.381 -0.985 30 20 DBED CC[C@H](C)C(=O)NCC(=O)NC1[C@H]2CN(CC#CCOC)C[C@H]12 1115255121 XAVUUWODFQOQEM-IHRRRGAJSA-N 321.421 -0.155 30 20 DBED C=C[C@@H]1CCCCN1C(=O)C(=O)Nc1ncn(CC(=O)NC)n1 1116831198 OWIVDATZIZVWKA-SNVBAGLBSA-N 320.353 -0.470 30 20 DBED COCCOCCCCNC(=O)C(=O)N1CCO[C@H](C#N)C1 1117157960 ZWSBDDOYOKZIQR-GFCCVEGCSA-N 313.354 -0.703 30 20 DBED CCS(=O)(=O)CCNC(=O)C(=O)N1CCC[C@](C)(C#N)C1 1117259326 QAEVSMBJZNDCMH-CYBMUJFWSA-N 315.395 -0.310 30 20 DBED C[C@@H](CN(C)C(=O)C[C@@H](C)NC(N)=O)N=c1cc[nH]c(C#N)n1 1120119025 YBSFHQVQMROEBS-ZJUUUORDSA-N 319.369 -0.524 30 20 DBED C[C@@H](CN(C)C(=O)C1CS(=O)(=O)C1)Nc1cnc(C#N)cn1 1120123737 NYBRJURIKUHVPJ-VIFPVBQESA-N 323.378 -0.348 30 20 DBED N#Cc1nccnc1N[C@H](CO)CNC(=O)Cc1cccnc1 1121447028 RKWCZFIHSRDQKU-LBPRGKRZSA-N 312.333 -0.125 30 20 DBED N#Cc1cncc(N[C@@H](CO)CNC(=O)[C@H]2CCCCO2)n1 1121454115 GRYCLGWRANHVDE-VXGBXAGGSA-N 305.338 -0.194 30 20 DBED C=CCn1c(C2=NO[C@@H](CO)C2)nnc1N1CCN(C)C(=O)C1 1121552727 MLAKCNJSZLLTIW-SNVBAGLBSA-N 320.353 -0.772 30 20 DBED N#Cc1nccnc1N[C@H](CO)CNC(=O)Cn1ccnc1 1121717959 KKWVUSGENXFGSG-JTQLQIEISA-N 301.310 -0.866 30 20 DBED N#Cc1cccnc1N[C@@H](CO)CNC(=O)CO[C@H]1CCOC1 1122069247 IYANINZFYTXXPB-OLZOCXBDSA-N 320.349 -0.352 30 20 DBED Cc1nocc1C(=O)NC[C@@H](CO)Nc1ccc(C#N)nn1 1122436633 GWXTWUZFRCLZKL-JTQLQIEISA-N 302.294 -0.153 30 20 DBED COC[C@@H](OC)C(=O)NC[C@H](CO)Nc1ccc(C#N)cn1 1122467434 WWZRCWIWHJHDIX-VXGBXAGGSA-N 308.338 -0.496 30 20 DBED Cc1ccc(C#N)c(N[C@H](CO)CNC(=O)[C@H]2C[C@H]2C(N)=O)n1 1122566940 GMJWUEABHNNCTN-TUAOUCFPSA-N 317.349 -0.728 30 20 DBED CNC(=O)NCC(=O)N1CC[C@@H](Nc2nccnc2C#N)[C@@H]1C 1123107786 CSHNATBDWKHGJL-VHSXEESVSA-N 317.353 -0.321 30 20 DBED N#Cc1nccnc1NC[C@@H]1CC[C@H](NC(=O)CNC(N)=O)C1 1123720955 ZOOOZCGYSKKDHN-ZJUUUORDSA-N 317.353 -0.287 30 20 DBED CN(C[C@H](O)CNc1ccc(C#N)nn1)C(=O)[C@@]12COC[C@@H]1C2 1124823356 VETCFXWIDSGCOA-NVBFEUDRSA-N 317.349 -0.384 30 20 DBED C=CCOCCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H](C)C#N)C1 1128829086 AQRKXXRVZWKYFJ-MJBXVCDLSA-N 318.381 -0.018 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)COCCN(C)C)C1 1129384921 BUTZBZWLINYQQC-KGLIPLIRSA-N 322.413 -0.616 30 20 DBED CC#CCN[C@@H]1CN(C(=O)[C@@H]2CCOC2)C[C@@H]1n1ccnn1 1129655926 IPSCYURSYYRXLC-MCIONIFRSA-N 303.366 -0.321 30 20 DBED CC#CCN[C@@H]1CN(C(=O)c2cn(C)cn2)C[C@@H]1n1ccnn1 1129748344 YOELMUPTRCWVOP-OCCSQVGLSA-N 313.365 -0.310 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1cn(C)c(C)cc1=O 1129987605 CMEPJJOQPAKXBB-LBPRGKRZSA-N 318.377 -0.849 30 20 DBED COCCN1CCOC[C@@H]1c1n[nH]c(CNC(=O)[C@H](C)C#N)n1 1130835012 IPHBRIVMBTYESH-GHMZBOCLSA-N 322.369 -0.400 30 20 DBED C[C@H]1CCN(C(=O)CCCS(N)(=O)=O)C[C@@H]1CNCC#N 1133088179 XOIQRVRKXNXXGE-RYUDHWBXSA-N 316.427 -0.347 30 20 DBED COCC#CCNC[C@H]1CN(C(=O)CCNC(N)=O)CC[C@@H]1C 1133301895 MFWDCIROUGUEHP-KBPBESRZSA-N 324.425 -0.231 30 20 DBED C#CCCNC[C@H]1CN(C(=O)CS(=O)(=O)NC)CC[C@H]1C 1133334383 WSMFHRTVKGSIOX-OLZOCXBDSA-N 315.439 -0.367 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)Cn1nccc1C 1135572070 QUDBGERDEWLNTH-OLZOCXBDSA-N 319.409 -0.186 30 20 DBED C#CCN[C@@H](C)C[C@H](C)NC(=O)CN1CCS(=O)(=O)CC1 1146314835 OGMDFHJSPZMXDU-STQMWFEESA-N 315.439 -0.777 30 20 DBED C#CCCN1CCCO[C@H](CNC(=O)CN2CCOCC2)C1 1149579264 BSDBBSHTBQKQQG-OAHLLOKOSA-N 309.410 -0.451 30 20 DBED COCC#CCNCCCNC(=O)c1cnc(N(C)C)cn1 1158051829 VPAIISFLVNLFDV-UHFFFAOYSA-N 305.382 -0.098 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)c1cc(=O)n(C)cn1 1160227283 BQINPRANQPDIEG-LLVKDONJSA-N 321.381 -0.820 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)c1ccnnc1C 1161880123 WXKWADTULLUCGS-LBPRGKRZSA-N 303.366 -0.368 30 20 DBED COCC1(CNC(=O)[C@@]2(C)CNC(=O)C2)CCN(CC#N)CC1 1162373646 JXRSRXDDLCWELV-OAHLLOKOSA-N 322.409 -0.119 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)C[C@@H]1CCC(=O)N1C 1163800589 DWALQZCTNXWICB-OLZOCXBDSA-N 322.409 -0.769 30 20 DBED CO[C@H](C(=O)NCCC1(CNCC(=O)NCC#N)CC1)C1CC1 1164342696 LEJOSJOQYKGKJN-AWEZNQCLSA-N 322.409 -0.073 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)NCCCNC[C@H](O)COC 1167667261 HMPZVEHMDRJLDN-UONOGXRCSA-N 315.414 -0.440 30 20 DBED C#Cc1ccc(C(=O)NCCCN[C@H](C)C(=O)NC(N)=O)nc1 1171589693 JGPRTMZUODOGDQ-SNVBAGLBSA-N 317.349 -0.644 30 20 DBED N#CCNC(=O)CN1CCO[C@H]2CCN(C(=O)C(F)F)C[C@@H]21 1176869907 CIYCIGUYAWCWCD-UWVGGRQHSA-N 316.308 -0.807 30 20 DBED CNC(=O)NC(=O)CN[C@H]1CCN(C(=O)C#CC2CC2)[C@H]1C 1178648776 LFYNFHINKVXGKJ-JQWIXIFHSA-N 306.366 -0.566 30 20 DBED C=CCCCN[C@H]1CCN(C(=O)CNS(=O)(=O)NC)[C@H]1C 1179248368 HZOYXRBOMGLNQW-RYUDHWBXSA-N 318.443 -0.415 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2cncnc2)C1 1182156716 RWNIBBNEVQGQTB-WCQYABFASA-N 303.366 -0.029 30 20 DBED CNC(=O)NC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)C#CC2CC2)C1 1182414250 IFXWDTJJKYNAEU-ZYHUDNBSSA-N 306.366 -0.566 30 20 DBED C#CCCN[C@@H]1CCN(C(=O)[C@@H](NC(=O)COC)C(C)C)C1 1186170788 HZENSCFGLRXMDP-HIFRSBDPSA-N 309.410 -0.013 30 20 DBED C#CCOCCC(=O)N1CC[C@H]2CN([C@H](C)C(=O)NC)C[C@H]21 1187874484 VBLMKXVUEKHWOY-HZSPNIEDSA-N 307.394 -0.307 30 20 DBED C[C@H](C(=O)N1CC[C@@H](NCC(=O)NCC#N)C1)C1CCOCC1 1188483516 UGWWHAVTVOXSTR-GXTWGEPZSA-N 322.409 -0.121 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)[C@H](C)n2cncn2)C1 1189705055 GGSFSAOTYWGQSW-STQMWFEESA-N 320.397 -0.326 30 20 DBED CN(CC(=O)NCC#N)[C@H]1CCN(C(=O)[C@@H](C2CC2)N(C)C)C1 1190655143 NTRNRHFECTUTHW-DZGCQCFKSA-N 321.425 -0.501 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC2(F)F)C1 1192677330 XGKUBDRXZCDPOU-IVZWLZJFSA-N 303.309 -0.895 30 20 DBED C=CCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)NC(=O)COC)C1 1193166962 QDRWUZYWIJOGRZ-JHJVBQTASA-N 313.398 -0.735 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2CN(CCCOC)C[C@H]2O)c1 1196046430 UOCBRTLQGQCALJ-HUUCEWRRSA-N 303.362 -0.126 30 20 DBED C[C@@H](CS(C)(=O)=O)C(=O)N1CCCO[C@H](CNCC#N)C1 1202172729 FKGSIJDJGMIWMD-NWDGAFQWSA-N 317.411 -0.602 30 20 DBED C=CCOCCN[C@@H]1C[C@@H](NC(=O)Cn2cnnn2)C12CCC2 1202382395 FKXBUUPTHNYBOG-CHWSQXEVSA-N 320.397 -0.107 30 20 DBED N#CCNC(=O)CN[C@H]1CCCN(C(=O)C2CCC(O)CC2)C1 1207924485 NKZXJWJLVWLCBV-MOKVOYLWSA-N 322.409 -0.242 30 20 DBED C#CCCCC(=O)N1CCC[C@H](NCC(=O)NC(=O)NC)C1 1207945262 YXUVDPOKKXBPMD-LBPRGKRZSA-N 308.382 -0.174 30 20 DBED C#CCOCCC(=O)N1CCC[C@H](NCC(=O)NC(=O)NC)C1 1208031618 AOZZXFKUZXKNHF-LBPRGKRZSA-N 324.381 -0.938 30 20 DBED CC#CCN[C@@H]1CCCN(C(=O)c2cnc(O)n(C)c2=O)C1 1208902566 WJOWYKWOAHHFEE-LLVKDONJSA-N 304.350 -0.297 30 20 DBED COCC#CCN[C@@H]1CCCN(C(=O)c2cnc(O)n2C)C1 1208962642 ORFKFQLWWNQDBR-GFCCVEGCSA-N 306.366 -0.030 30 20 DBED C=C(C)CN(CC)C(=O)[C@@H](C)N[C@H]1CCCN(C(=O)C(N)=O)C1 1209365606 JNGVONJSCGORJQ-OLZOCXBDSA-N 324.425 -0.135 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)Cc1ccco1 1209649294 NPJGQQIZTUSLOC-DGCLKSJQSA-N 304.350 -0.102 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)Cc2nc[nH]n2)C1 1210584116 CKLGXTOGSPSYCE-VXGBXAGGSA-N 320.397 -0.382 30 20 DBED CO[C@@H]1CN(Cc2cnn(C)n2)C[C@H]1NC(=O)CSCC#N 1211886407 JKOSGUZMTIOALX-VXGBXAGGSA-N 324.410 -0.613 30 20 DBED C=CCOCC(=O)N[C@@H]1CN([C@H](C)C(=O)N(C)C)C[C@H]1OC 1212033590 KEGVIKSJQLMPKL-JHJVBQTASA-N 313.398 -0.519 30 20 DBED C=CCOCCN1C[C@@H](NC(=O)[C@H]2CCN(C)C2)[C@H](OC)C1 1213857789 WHOJCLCFMAWLMQ-RRFJBIMHSA-N 311.426 -0.044 30 20 DBED Cc1ncc(C(=O)N2C[C@@H](NCC(=O)NCC#N)[C@H](C)C2)[nH]1 1214326471 ABCGYXRWYQBFOX-BXKDBHETSA-N 304.354 -0.592 30 20 DBED CC#CCN[C@@H]1CN(C(=O)[C@H](C)N2C(=O)CCC2=O)C[C@H]1C 1214780021 HWIULKFUMJKWQD-FRRDWIJNSA-N 305.378 -0.016 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C)C2)C[C@H]1C 1216299352 NFVQEQKLNOXLHQ-RBSFLKMASA-N 321.421 -0.059 30 20 DBED C#CCCN[C@@H]1CN(C(=O)CC[C@@H]2NC(=O)NC2=O)C[C@H]1C 1216714029 QKLDVZFNPPYKRC-GRYCIOLGSA-N 306.366 -0.566 30 20 DBED CCOCCC(=O)N1CCO[C@@H]2CN(CC#CCOC)C[C@@H]21 1217523021 FTZVYSGUYFWZTP-LSDHHAIUSA-N 310.394 -0.026 30 20 DBED C=C(C)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)CCNC(=O)NC 1217814232 CPPBXSUSZLWXDN-QWHCGFSZSA-N 310.398 -0.207 30 20 DBED Cc1cc(CN2C[C@H](O)[C@H](NC(=O)C#CC3CC3)C2)ncn1 1219591784 UPBSZLDPLPVDRJ-CABCVRRESA-N 300.362 -0.140 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2ccn(CC)n2)C[C@@H]1O 1219605612 XOJHTUZVSSKTLI-CFVMTHIKSA-N 320.393 -0.397 30 20 DBED CCOc1cc(C(=O)N[C@@H]2CN(CC#CCOC)C[C@@H]2O)on1 1220017716 LZIBRQCSQZWYCW-NEPJUHHUSA-N 323.349 -0.502 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)[C@]2(COC)CCOC2)C1 1220076317 WHOXGXITOSCRCP-DYEKYZERSA-N 318.801 -0.047 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)CCOCC)[C@@H]2C1 1221433037 RLHMYLJVFQREKB-ZIAGYGMSSA-N 307.394 -0.305 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC(NC(=O)CSCC#N)CC1 1226152226 DKXLHYNGCWKHMV-LBPRGKRZSA-N 322.434 -0.038 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC(NC(=O)c2[nH]nnc2C)CC1 1228560073 LNQBOPUFCLJIQQ-LLVKDONJSA-N 318.381 -0.555 30 20 DBED CC#CCN[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)NS(C)(=O)=O 1228791558 JUNIYPFZKHQWKH-JHJVBQTASA-N 315.439 -0.036 30 20 DBED C#CCN[C@@H]1CCCC[C@H]1NC(=O)CN(C)S(=O)(=O)CC 1229443452 YFKYVBWRCQEPLM-CHWSQXEVSA-N 315.439 -0.082 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)CN(C)C1CCC1 1235393291 OMMHGCAPPIARPN-HNNXBMFYSA-N 320.437 -0.247 30 20 DBED C=C[C@](C)(O)C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CCNCC1 1263129319 INPAADONMCILMT-WWGRRREGSA-N 322.409 -0.330 30 20 DBED N#C[C@@H](C(=O)CCn1cccn1)C(=O)N1CCS(=O)(=O)CC1 1263290157 GCPSZZVZOBUARM-NSHDSACASA-N 324.362 -0.761 30 20 DBED Cc1cc(C#N)cnc1C(=O)NCc1nnc2c(=O)[nH]ccn12 1288939751 MHGSCEDFBLQCAA-UHFFFAOYSA-N 309.289 -0.077 30 20 DBED C#CCN(C)C(=O)NC1CCN(CCS(C)(=O)=O)CC1 1324232688 BEGSWXPOBAKTPH-UHFFFAOYSA-N 301.412 -0.230 30 20 DBED C[C@@H]1C[C@H](NC(=O)C(=O)N2CCO[C@@H](C#N)C2)CN1C1CC1 1325495658 OONKWAVCLOHRDT-MDZLAQPJSA-N 306.366 -0.521 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N[C@H]2CC[C@@H](CN)C2)nn1 1326583812 NDBMAILYRHNUMQ-MNOVXSKESA-N 306.370 -0.676 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N[C@H](C)[C@H]2CCOC2)nn1 1328097181 IDUVEJNSWZCLRC-MNOVXSKESA-N 307.354 -0.379 30 20 DBED CN1C(=O)CC[C@H](NC(=O)C(=O)N2CCC[C@@H](CC#N)C2)C1=O 1328207992 BUGNYKYESKOJLB-QWRGUYRKSA-N 320.349 -0.598 30 20 DBED CN1CCC[C@H](NC(=O)C(=O)N2CCC(CC#N)CC2)C1=O 1329940362 RQAHIVCFQOTGJH-LBPRGKRZSA-N 306.366 -0.124 30 20 DBED C#C[C@H](NC(=O)C(=O)NCC(=O)N(CC)CC)[C@@H]1CCCO1 1331607455 DNHGODPSONWVBH-RYUDHWBXSA-N 309.366 -0.732 30 20 DBED CC#CC[C@@H](CO)NC(=O)C(=O)Nc1cnn(CCOC)c1 1332178464 DAVOOTHALUXDTR-NSHDSACASA-N 308.338 -0.642 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)NCc2cccc(O)c2)C1 1332193161 GCKSACACXOJGPQ-HNNXBMFYSA-N 303.318 -0.115 30 20 DBED C=CCNC(=O)Cn1nnnc1N1CCO[C@@H](C(F)F)C1 1337176482 WQVQCIJAUWFFNN-MRVPVSSYSA-N 302.285 -0.554 30 20 DBED C=CCn1c(C(N)=O)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1338896853 YCKJKEFHBSMIAJ-LBPRGKRZSA-N 320.397 -0.279 30 20 DBED C#CC1(O)CN(C(=O)NC2CCN(C[C@H]3CCOC3)CC2)C1 1342977662 FITOHAMGLQYDKX-CYBMUJFWSA-N 307.394 -0.123 30 20 DBED COC(=O)C1(C#N)CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 1361440857 NJQJOBISKAQCAO-VHSXEESVSA-N 309.322 -0.675 30 20 DBED COCCN(CCC#N)Cc1nc(CS(C)(=O)=O)no1 1365289093 WWHFMHIRHATQAK-UHFFFAOYSA-N 302.356 -0.024 30 20 DBED CCN(CCC#N)C(=O)CNC[C@H]1CCN(C(=O)COC)C1 1366393877 JWMMOFXZKKFQJE-CYBMUJFWSA-N 310.398 -0.167 30 20 DBED C=C(Cl)CNC[C@@H](C)NC(=O)C[C@H](NC(C)=O)C(N)=O 1367701740 YOWHYWNRNPGKCO-SCZZXKLOSA-N 304.778 -0.787 30 20 DBED C[C@H](C#N)C(=O)NC1CCN(C(=O)CN2CCOCC2=O)CC1 1372129594 OQDQRIUHHXCVSD-LLVKDONJSA-N 322.365 -0.888 30 20 DBED CC(C)CS(=O)(=O)CC(=O)NC[C@@H](C)NC(=O)[C@H](C)C#N 1372961137 LMGZBBCQFQZHNX-GHMZBOCLSA-N 317.411 -0.162 30 20 DBED C[C@H](C#N)C(=O)N[C@H](C)C1CCN(C(=O)CCNC(N)=O)CC1 1374340315 YRJYCYHLBKINNS-GHMZBOCLSA-N 323.397 -0.052 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CN([C@H](C)C(=O)NC(N)=O)C[C@@H]2C1 1380700089 MEURTQWFBIPSMU-ZRUFSTJUSA-N 307.354 -0.880 30 20 DBED COC[C@@H](O)CNC[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCO1 1393578587 LSHNTTCYIGUTAK-QWHCGFSZSA-N 322.365 -0.676 30 20 DBED CC(=O)NCC(=O)N(C)CC1CCN(C(=O)[C@@H](C)C#N)CC1 1398501282 JYJPAPMFUFQTFM-NSHDSACASA-N 308.382 -0.021 30 20 DBED CC(C)[C@@H](CCN(C)C(=O)Cn1ncnn1)NC(=O)[C@@H](C)C#N 1404569938 STERXXYMQFGPLK-NWDGAFQWSA-N 321.385 -0.178 30 20 DBED CCN(CCNC(=O)CS(=O)(=O)C(C)C)C(=O)[C@H](C)C#N 1408746491 HHASIIDYUFHRFW-LLVKDONJSA-N 317.411 -0.066 30 20 DBED CCN(C)C(=O)CNC[C@@H](O)CN(C)C(=O)c1cc(C#N)c[nH]1 1410992689 UNSOXAAEGDJCLO-GFCCVEGCSA-N 321.381 -0.613 30 20 DBED CC(C)(C)C[C@H](CO)NC(=O)Cn1cc(C#N)c(O)nc1=O 1411949066 BPFKWQZHCJOFIL-SNVBAGLBSA-N 308.338 -0.266 30 20 DBED Cn1c(=O)[nH]c(NC2CCN([C@H]3CCOC3)CC2)c(C#N)c1=O 1412900533 NPTAQZIPQRCGNA-NSHDSACASA-N 319.365 -0.390 30 20 DBED CC(=O)N[C@@H](C)C(=O)NC[C@H](O)CNCc1ccc(C#N)s1 1422283332 SLOGORUBACOXJA-GXSJLCMTSA-N 324.406 -0.289 30 20 DBED N#Cc1cn(CC(=O)NCC[C@H]2C[C@H]3CC[C@H]2O3)c(=O)nc1O 1434063780 JJADTRGBEFSXHM-MVWJERBFSA-N 318.333 -0.106 30 20 DBED CC(=O)N(C)CC(=O)NC[C@H](C)N(C)C(=O)c1ccc(C#N)[nH]1 1442672614 VPJNOSDCDJBAFZ-JTQLQIEISA-N 319.365 -0.059 30 20 DBED C[C@H](C#N)C(=O)NCCC1CCN(C(=O)[C@@H]2COC(=O)N2)CC1 1499768856 BNELIKJCYGZBAC-PWSUYJOCSA-N 322.365 -0.001 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCCN(CC(=O)NC(N)=O)C2)C1 1506858054 PEVVEVDJIAWBHZ-JTQLQIEISA-N 307.354 -0.735 30 20 DBED C=C(C)Cn1c(CCOC)nnc1N1CCO[C@@H](C(=O)NC)C1 1515999755 XBXVZJMNUKLZLY-GFCCVEGCSA-N 323.397 -0.006 30 20 DBED C=CCn1c(C2CC(O)C2)nnc1N1CCN2C(=O)NC[C@H]2C1 1520386724 SMMMUZIIZUARHQ-CXQJBGSLSA-N 318.381 -0.084 30 20 DBED N#C[C@@H](C(=O)[C@@H]1CCCCO1)C(=O)N1CCS(=O)(=O)CC1 1523861934 KULZAGNRAHCKMJ-QWRGUYRKSA-N 314.363 -0.479 30 20 DBED CCCN(CCNC(=O)[C@@H](C)C#N)C(=O)[C@H]1CC(=O)N(C)C1 1529651167 OBOYIZKUTXWRHE-RYUDHWBXSA-N 308.382 -0.021 30 20 DBED C=CC[C@H](C(=O)OC)N1CC(S(=O)(=O)N2CCNCC2)C1 1574888023 GNZYRGFLSIVXAM-GFCCVEGCSA-N 317.411 -0.977 30 20 DBED C#CCN(C(=O)c1cnon1)C1CCN(Cc2cnn[nH]2)CC1 1574927983 DQSVICAKFDCYJC-UHFFFAOYSA-N 315.337 -0.072 30 20 DBED CCN(CCN[C@@H](C)C(=O)NCc1cnn[nH]1)C(=O)[C@H](C)C#N 1576537971 NUXAHJFOONIYOS-MNOVXSKESA-N 321.385 -0.593 30 20 DBED C[S@](=O)C1(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CCNCC1 1579354192 FCVSSSCMFCZBPB-XMHCIUCPSA-N 324.450 -0.314 30 20 DBED C#CC(=O)N1CCN(c2c(-c3nn[nH]n3)c(C)nn2C)CC1 1588324848 LXZQQZOKKQXHNH-UHFFFAOYSA-N 300.326 -0.810 30 20 DBED C#CCNS(=O)(=O)c1ccc(C(=O)N2CC(C(=O)O)C2)cc1 1588486029 IJQYRWSPOVHRMI-UHFFFAOYSA-N 322.342 -0.245 30 20 DBED C=CCCC(=O)NC[C@@H](C)N=c1cc[nH]c(-c2nn[nH]n2)n1 1588571741 ZYIRWKDGUZSHCS-SECBINFHSA-N 302.342 -0.039 30 20 DBED C[C@@H](CN(C)C(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1)C(=O)O 1589021171 YGEHGIJPCFMHOU-JQWIXIFHSA-N 322.365 -0.636 30 20 DBED C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)N(CC#N)CCC(=O)O 1589356100 FJVJYRJKQPJSKR-MNOVXSKESA-N 310.354 -0.601 30 20 DBED Cc1ccn(CN2CCOC[C@H]2C#N)c(=O)c1-c1nn[nH]n1 1592267610 RQVQZHGWTQXTIJ-SNVBAGLBSA-N 301.310 -0.481 30 20 DBED N#Cc1nc(N2CCC3(CC2)CC(=O)N3)cnc1-c1nn[nH]n1 1592704846 QSDLLXKFRYELQL-UHFFFAOYSA-N 311.309 -0.613 30 20 DBED CN(CCC(=O)O)C(=O)C(=O)N1CCC2(CC1)CC(=O)C=CO2 1593731335 LOFIUKZCVOWABC-UHFFFAOYSA-N 324.333 -0.216 30 20 DBED C[C@@H](CN=c1cc[nH]c(C(=O)O)n1)NC(=O)CSCC#N 1599836817 VJYQQQISJDDECH-QMMMGPOBSA-N 309.351 -0.230 30 20 DBED N#C[C@@]1(F)CCN(C(=O)C(=O)Nc2ccn(CC(=O)O)n2)C1 1605582779 FDSCKQYJLLJOJR-LBPRGKRZSA-N 309.257 -0.630 30 20 DBED N#Cc1ncn(CC(=O)N2CCC([C@@H]3OCCC[C@H]3N)CC2)n1 1645909336 LTNBPYLQCAMHAI-DOMZBBRYSA-N 318.381 -0.105 30 20 DBED CC(C)C#CC(=O)N1CC[C@H](NC[C@H](O)CN2CCCC2=O)C1 1713921972 GSBLATQGSMAITE-GJZGRUSLSA-N 321.421 -0.180 30 20 DBED CN(C(=O)c1cnn(C)c1)C1CCN(CC(=O)NCC#N)CC1 1752291454 FPJJRDNSZVIGSG-UHFFFAOYSA-N 318.381 -0.404 30 20 DBED C#CCNC(=O)CNC1CCC(NC(=O)CN2CCCC2)CC1 1752855383 VBKCVGOWIMCKPY-UHFFFAOYSA-N 320.437 -0.151 30 20 DBED C=CCN1CC[C@H](NCCN(C)C(=O)[C@@H]2CCCN2C)C1=O 1753176424 PLJQNSNJNLIWIP-KBPBESRZSA-N 308.426 -0.085 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)N(C)CCNCc1cnn(C)n1 1753242521 REUDBSITVWGRON-AWEZNQCLSA-N 322.413 -0.166 30 20 DBED CN(CC(=O)NCC#N)C[C@@H]1CCN(C(=O)C[C@@H]2CCCO2)C1 1753356442 MLTYUFJGACXRJE-KBPBESRZSA-N 322.409 -0.024 30 20 DBED C=CCNC(=O)[C@H](C)N1CC(NC(=O)C2(N(C)C)CCC2)C1 1753378657 RAPMKRUIMUWTLW-LBPRGKRZSA-N 308.426 -0.038 30 20 DBED C#CCOCCC(=O)NC[C@H](C)CN[C@H]1CCCN(C)C1=O 1753613161 RCPZMBGTXRUJKE-KGLIPLIRSA-N 309.410 -0.011 30 20 DBED C=C(C)CNC[C@H](O)CNC(=O)Cc1nnn(C(C)(C)C)n1 1753920078 NNMSJKZDZWGOLH-NSHDSACASA-N 310.402 -0.387 30 20 DBED CCN(CCNCc1nnnn1C)C(=O)c1ccc(C#N)[nH]1 1754047835 AZPLTXSWKSCBIF-UHFFFAOYSA-N 302.342 -0.338 30 20 DBED C#CCNC(=O)CNC/C=C\CNC(=O)c1ccnn1CC 1754114993 NQORCUBIDWHVKU-WAYWQWQTSA-N 303.366 -0.472 30 20 DBED C#CCCCC(=O)N[C@@H]1[C@H]2C[C@H]1N(CC(=O)NC(=O)NC)C2 1754424007 NYSKVNKWIHMNRU-MISXGVKJSA-N 306.366 -0.566 30 20 DBED CCn1ccc(C(=O)NC[C@@H]2CCN2CC(=O)NCC#N)n1 1754496936 YQBLUHDMPKJYCF-NSHDSACASA-N 304.354 -0.653 30 20 DBED N#CCNC(=O)CNC1(CNC(=O)[C@@H]2C[C@@]23CCOC3)CC1 1754531078 OJFJQGLPBCECMF-SMDDNHRTSA-N 306.366 -0.709 30 20 DBED C#CCCNC1(CNC(=O)[C@H]2CN(C)C(=O)N2)CCOCC1 1754738582 CXZLZZVMYSFZJL-GFCCVEGCSA-N 308.382 -0.712 30 20 DBED CC#CCCCC(=O)NCC1(O)CN(CC(=O)NC(C)C)C1 1754772607 MOIVHZKNFLQXBA-UHFFFAOYSA-N 309.410 -0.133 30 20 DBED C#CCNC(=O)CN1C[C@H]2CN(C(=O)c3ccn(C)n3)C[C@H]2C1 1754847861 KDYNOWNCMYAQON-BETUJISGSA-N 315.377 -0.827 30 20 DBED C#CCCCC(=O)N[C@@]1(CO)CCCN([C@H](CC)C(N)=O)C1 1754854117 MVQCBQURBUUJFU-CJNGLKHVSA-N 309.410 -0.003 30 20 DBED Cc1ncoc1C(=O)NC[C@@H]1COCCN1CC(=O)NCC#N 1754965381 IZNODDKMHHTEAR-LLVKDONJSA-N 321.337 -0.947 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)C2CN(C(C)=O)C2)C[C@@H]1C 1755108735 KJPGNYBEEXIAMV-SWLSCSKDSA-N 307.394 -0.449 30 20 DBED C[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1NCCNS(C)(=O)=O 1755109307 UMQLOBPMWJQAKT-WCQYABFASA-N 313.423 -0.615 30 20 DBED N#CCNCC1(O)CCN(C(=O)CCn2ccccc2=O)CC1 1755154360 MMHGYNHVRKNTDO-UHFFFAOYSA-N 318.377 -0.295 30 20 DBED CCc1nc(C(=O)N[C@H](C)C2CN(CC(=O)NCC#N)C2)co1 1755375183 VJGIAJLOKXOEFM-SNVBAGLBSA-N 319.365 -0.073 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(CNC(=O)[C@@H](CC)OCC)[C@H]2C1 1755418747 YNLSKKZLFSHFDX-RBSFLKMASA-N 321.421 -0.155 30 20 DBED C#CCCN(C)CCOCCNC(=O)[C@@H]1CCNC(=O)CC1 1755542600 RCVXCAPOGYGLEQ-AWEZNQCLSA-N 309.410 -0.009 30 20 DBED CC(C)[C@@H](O)C(=O)N(C)[C@@H](CNCC(=O)NCC#N)C1CC1 1755573693 WDLFKDWOVLRZIV-GXTWGEPZSA-N 310.398 -0.530 30 20 DBED C=CCn1cc(C(=O)NC[C@H](CO)NCC2CCOCC2)nn1 1755640205 GYLUEPVVZLKGQN-CYBMUJFWSA-N 323.397 -0.429 30 20 DBED CC#CCNC[C@@H](O)CN(C)C(=O)[C@H](CC)N1CCCC1=O 1755797288 YNWVZDCXXBCMCA-KGLIPLIRSA-N 309.410 -0.180 30 20 DBED C=C(C)CCC(=O)NC[C@H](CO)NC(=O)c1cnn(C)c1OC 1756527245 FNJBXHJTCLYGBZ-LLVKDONJSA-N 324.381 -0.008 30 20 DBED C[C@@H]1C[C@H](NC(=O)CNC(N)=O)CN1C(=O)C#CC(C)(C)C 1756589394 DOVUXOHCKCGRRY-MNOVXSKESA-N 308.382 -0.190 30 20 DBED C#CCOCCC(=O)N1C[C@@H](NC(=O)c2nc[nH]n2)C[C@@H]1C 1756590643 UIGUZRRKGUDLHG-QWRGUYRKSA-N 305.338 -0.436 30 20 DBED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)/C=C(\C)NC(C)=O)C2)C1 1782628978 CSHJFDSFJHZTNP-ONOODXEBSA-N 319.361 -0.511 30 20 DBED CC(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC#N)C2 1800531605 UPBSJKQWCBJGHO-SGESHTKJSA-N 322.365 -0.986 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)C1CN(C)C1)C2 1841602512 QSYDTQNJQFHXPQ-ZDUSSCGKSA-N 319.405 -0.210 30 20 DBED C#CC(=O)N1CCCC12CN(C(=O)CSc1nc[nH]n1)C2 1845960802 OQCXCSDAUADREY-UHFFFAOYSA-N 305.363 -0.267 30 20 DBED CS(=O)(=O)NCCCNC(=O)COc1ccccc1C#N 44706294 VTPARYBTMZIPFX-UHFFFAOYSA-N 311.363 -0.007 30 20 DBED COC(=O)C[C@H]1C(=O)NCCN1C(=O)C#Cc1ccccc1 81534250 KDNJRDIUHFUBPQ-ZDUSSCGKSA-N 300.314 -0.072 30 20 DBED CCN(Cc1nc2c(=O)n(C)c(=O)n(C)c2[nH]1)C[C@H](C)C#N 120460220 WEXLOLOZZFBQBS-SECBINFHSA-N 304.354 -0.058 30 20 DBED C[C@@H]1CN(CC(=O)N(CCC#N)CCC#N)CCN1CCO 187724395 KSJLCVGDASHOPA-CQSZACIVSA-N 307.398 -0.359 30 20 DBED COC(=O)c1ccc(S(=O)(=O)N2CCO[C@@H](C#N)C2)o1 264633750 UPFXYKBXLPYNKO-QMMMGPOBSA-N 300.292 -0.021 30 20 DBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)CC(N)=O 268762756 MHPCZPHIMHILRN-SECBINFHSA-N 324.362 -0.831 30 20 DBED N#Cc1ncn(CCNC(=O)[C@H]2COCCN2C2CCCC2)n1 286957320 RYJSLBOPRPBMLS-CYBMUJFWSA-N 318.381 -0.091 30 20 DBED O=S1(=O)CCN(CC/N=C(/O)[C@@]2(O)CCSC2)CC1 328987467 UOKWEWHIQMHINO-LLVKDONJSA-N 308.425 -0.459 30 20 DBED C[C@H]1CN(/C(O)=N/C[C@@H]2CN(C)CCO2)C[C@@H](C)S1(=O)=O 329602643 LACTZOVJRZAIKV-GRYCIOLGSA-N 319.427 -0.262 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)NCCN1C(=O)CCC1=O 330372778 ASWPWLUCWNTJQE-VIFPVBQESA-N 302.356 -0.939 30 20 DBED C[C@H]1CCCCN1C(=O)CN1CCN(CC(=O)NCC#N)CC1 330505276 KATKAYCEQWYQAT-AWEZNQCLSA-N 321.425 -0.355 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCN(C)C(=O)C2)CC1 330539057 UWGLMXZAQWVNJJ-CYBMUJFWSA-N 322.409 -0.699 30 20 DBED CC[C@H](NS(=O)(=O)N(CCC#N)CCOC)C(=O)OC 336883937 HNODYRRFNZXNML-JTQLQIEISA-N 307.372 -0.366 30 20 DBED COC(=O)[C@]1(C)CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)C1 336954330 XNQVRXCQSBYECX-CMPLNLGQSA-N 317.367 -0.659 30 20 DBED CC[C@@H]1CN(S(=O)(=O)N(C)CCC#N)C[C@H](C)S1(=O)=O 344921199 TZGPIZVYKKSNMU-WDEREUQCSA-N 323.440 -0.026 30 20 DBED COC(=O)C[C@H]1COCCN1S(=O)(=O)N(C)[C@H](C)CC#N 344958165 QVWHEICNSAGQLT-MNOVXSKESA-N 319.383 -0.271 30 20 DBED C[C@@H]1CN(CC(=O)NC2(C#N)CCC2)CCN1S(C)(=O)=O 346976969 VYQPVPRSTOBCMC-LLVKDONJSA-N 314.411 -0.485 30 20 DBED CN([C@H]1CC1(C)C)S(=O)(=O)CCCS(=O)(=O)NCC#N 349488906 GDIQDUMWGDDLHD-JTQLQIEISA-N 323.440 -0.120 30 20 DBED Cc1c(C(=O)N2CC(O)(CC#N)C2)cccc1S(N)(=O)=O 356580022 SUEZOHGCSQNNQA-UHFFFAOYSA-N 309.347 -0.257 30 20 DBED C=CCOC[C@@H](NS(=O)(=O)N(C)CC1CC1)C(=O)OC 360589916 YNYHHMKSMJCNSO-LLVKDONJSA-N 306.384 -0.093 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H]2CCCS2)C1=O 362552121 WNPFDPMEAZTUOI-VIFPVBQESA-N 311.363 -0.025 30 20 DBED C=CCn1cc(CNS(=O)(=O)C[C@@H](C)C(=O)OC)nn1 425177952 JFRMSSYJXHGBKA-SECBINFHSA-N 302.356 -0.307 30 20 DBED COC(=O)[C@H]1[C@H](O)CCCN1C(=O)CNc1ccc(C#N)cn1 444443207 MIWNTUFQGMUVKB-BXUZGUMPSA-N 318.333 -0.110 30 20 DBED COC(=O)C[C@@H]1CN(S(=O)(=O)N(C)CCC#N)CCO1 487127224 WDMZOSHZWPXYSH-SNVBAGLBSA-N 305.356 -0.659 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2[C@H]3CCCO[C@H]32)CC1 491726343 DEIUJPDFPZWMEX-BPLDGKMQSA-N 305.378 -0.695 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](CCN)C(F)F)C1=O 563960982 ZABSLEKDZQHSJJ-SSDOTTSWSA-N 318.280 -0.938 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@H](C(=O)O)C1CC1 565057695 JHXKCFQVAKMAPW-JTQLQIEISA-N 305.356 -0.454 30 20 DBED C=C[C@@H](O)C(=O)N(C)CC(=O)N1CCC[C@@H](C(=O)OCC)C1 590433236 RURKXIZDBOFMCY-VXGBXAGGSA-N 312.366 -0.207 30 20 DBED Cn1cc(C#N)c(NC(=O)Cn2nc3n(c2=O)CCCC3)n1 593082354 KGFOZYYFUVECGK-UHFFFAOYSA-N 301.310 -0.375 30 20 DBED C[C@H]1C[C@H](CN)CN1C(=O)C(=O)N1CCN(CCC#N)CC1 601580209 CDQCZHBJPAQVNK-QWHCGFSZSA-N 307.398 -0.760 30 20 DBED N#C[C@@H]1CN(C(=O)[C@H]2CCOC2)CCN1C(=O)[C@@H]1CCOC1 602355362 DHMDZURMBKAURT-YNEHKIRRSA-N 307.350 -0.378 30 20 DBED N#Cc1c[nH]cnc1=N[C@@H]1CCCN(CCN2CCOCC2)C1 603422267 FLHWZXMHRWVCRT-OAHLLOKOSA-N 316.409 -0.021 30 20 DBED COC[C@@H](CO)NC(=O)C(=O)Nc1ccc(C#N)cc1OC 619523625 YKRGNNZFRUKVOU-SNVBAGLBSA-N 307.306 -0.371 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N1CCN(CCO)C(C)(C)C1 619751467 IELVDHKLVOMMRX-LBPRGKRZSA-N 318.443 -0.146 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@@H](C)[C@@](C)(CO)C2)C1=O 620450376 CHCCBEAHPUBEDB-MEBBXXQBSA-N 323.349 -0.560 30 20 DBED CC#CC[C@H](CO)NS(=O)(=O)c1cnn(CC(=O)O)c1 717783026 HLYGCJLMOSKRAI-SECBINFHSA-N 301.324 -0.980 30 20 DBED C#CCNC(=O)CN1CCN(S(=O)(=O)CC(C)C)CC1 728590260 ZEIRTCYEGFMRMV-UHFFFAOYSA-N 301.412 -0.661 30 20 DBED N#CCNC(=O)COC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O 731235645 JYLYHRKAFLHPNG-NXEZZACHSA-N 307.306 -0.655 30 20 DBED CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)C(C)(CO)CO 754866979 YHSLHSOHVSBHEA-HZMBPMFUSA-N 300.355 -0.037 30 20 DBED CCNS(=O)(=O)CCNC(=O)Cc1noc(C)c1C#N 779512867 DMBRUDISAWBBFU-UHFFFAOYSA-N 300.340 -0.547 30 20 DBED C=CCS(=O)(=O)CCNC(=O)NCC(=O)NC1CCCC1 782997759 BTNKGNLKQPJTOB-UHFFFAOYSA-N 317.411 -0.055 30 20 DBED C=C(CO)C(=O)N1CCN(CC(=O)NCc2ccccc2)CC1 791308196 KPCDYURKALVAJX-UHFFFAOYSA-N 317.389 -0.005 30 20 DBED N#Cc1ccc(N2CCN(C(=O)Cn3cnc(C#N)n3)CC2)cn1 801290968 GSSKFRLLJFRQQE-UHFFFAOYSA-N 322.332 -0.235 30 20 DBED C=CCCOCCNC(=O)C(=O)NCCC1(C)OCCO1 806372426 IWWLRUIKXVCBFK-UHFFFAOYSA-N 300.355 -0.035 30 20 DBED CNC(=O)[C@@H](O)CNS(=O)(=O)c1ccc(Cl)cc1C#N 809838165 RLFQGIJIWDWSBF-VIFPVBQESA-N 317.754 -0.403 30 20 DBED C=CCOCCOC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 813895715 ZKCWUXGGQCFRHX-UHFFFAOYSA-N 322.321 -0.821 30 20 DBED C#CC[C@H](CO)NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 816673332 WTUBALWDVVCGAC-LLVKDONJSA-N 305.290 -0.175 30 20 DBED Cc1oc(C(=O)N[C@H]2CCCN(O)C2=O)cc1S(N)(=O)=O 820481935 BIQVYNZREHHLPQ-ZETCQYMHSA-N 317.323 -0.655 30 20 DBED Cn1cc(N2CC[C@H](NC(=O)[C@@](C)(C#N)CC(=O)O)C2=O)cn1 821297639 DTZVYLWNRPZZTB-IINYFYTJSA-N 319.321 -0.354 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N1CCN(C(=O)CC)C1 823456603 SDPKACMHNFEXJW-UHFFFAOYSA-N 303.384 -0.192 30 20 DBED CCN(CC)CC#C[C@H](C)OC(=O)[C@@H]1CCS(=O)(=O)N1 845498321 XYKYMUBQBAVKRH-RYUDHWBXSA-N 302.396 -0.045 30 20 DBED CC#CCS(=O)(=O)NC(=O)[C@]1(c2ccccc2)CNC(=O)C1 847699220 OAZHSSZXQJMTHN-HNNXBMFYSA-N 320.370 -0.086 30 20 DBED CN(C)C(=NCCN1CCN(S(C)(=O)=O)CC1)N(C)C 848995826 YOIZZAOPDJWCGA-UHFFFAOYSA-N 305.448 -0.957 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N1CCn2ncnc2C1 850710012 PJAZGFWEABXNJI-UHFFFAOYSA-N 305.338 -0.881 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)OCC#C 870861685 JJGRFUZIJDHGPS-XGUBFFRZSA-N 318.373 -0.125 30 20 DBED C#C[C@@H](NC(=O)N1CCC(C(=O)NCCO)CC1)[C@H]1CCCO1 875506094 CDMLBLBKEYPBIA-ZIAGYGMSSA-N 323.393 -0.303 30 20 DBED C#CC1(O)CN(C(=O)N[C@H]2CCC[C@@H](S(C)(=O)=O)C2)C1 893150593 NIAMLRXMZUPRSU-WDEREUQCSA-N 300.380 -0.268 30 20 DBED C[C@@H]1OCCO[C@@H]1C(=O)N[C@H]1CCN(C(=O)C#CC2CC2)C1 938175736 LYWXJVSOCARSJY-WHOFXGATSA-N 306.362 -0.079 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2CN(C(=O)CC(N)=O)C[C@H]2C)c1 940007894 XZUJLTBDTGPWTB-ZWNOBZJWSA-N 314.345 -0.485 30 20 DBED CO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1NC(=O)C1=CCOCC1 941603809 YCDFTFZALBQDIU-CYZMBNFOSA-N 307.350 -0.165 30 20 DBED Cc1ccc(C(=O)NC[C@@H]2CN(C(=O)[C@@H](C)C#N)CCO2)nn1 944588678 GRGPAGGWNXGXFR-CMPLNLGQSA-N 317.349 -0.098 30 20 DBED C=CCN1C[C@@H](O)[C@@H](CNC(=O)c2nc(OC)cc(OC)n2)C1 958184270 XRPQAUZFCTZZOO-WDEREUQCSA-N 322.365 -0.298 30 20 DBED N#CCN1C[C@H](CNC(=O)c2cnc3[nH]c(O)nc3c2)[C@@H](O)C1 958195912 MIFZOQGPVPYOKR-ONGXEEELSA-N 316.321 -0.790 30 20 DBED C#CCCN1C[C@H](CNC(=O)c2cn(C(C)C)nn2)[C@@H](O)C1 958550620 CXIHHIMCPKFLRM-JSGCOSHPSA-N 305.382 -0.095 30 20 DBED C#CCCN1C[C@H](CNC(=O)c2c3c(nn2C)CCC3)[C@@H](O)C1 958588013 OASKGQSDDFGBKD-WFASDCNBSA-N 316.405 -0.045 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2cccc(NC(N)=O)c2)C1 958658275 XHWHJNXNNKUDLB-TZMCWYRMSA-N 316.361 -0.167 30 20 DBED C#CCN1CCC(C(=O)NC[C@@H]2CN(CC#N)C[C@H]2O)CC1 958723957 KWOMQIGZBXXTHL-HUUCEWRRSA-N 304.394 -0.736 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2ccns2)C1 958863232 QFWUUMDLIJXAMJ-GUBZILKMSA-N 308.363 -0.054 30 20 DBED C=C(Cl)C(C)(C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C(N)=O)C1 958944576 UBFKZQOWFCGLKD-IUCAKERBSA-N 317.773 -0.720 30 20 DBED C=C(C)CCN1C[C@H]2[C@H](NC(=O)CN3CCNC(=O)C3)[C@H]2C1 961479192 LTPSLOSUQAPQSO-VIKVFOODSA-N 306.410 -0.569 30 20 DBED N#Cc1ccc(C(=O)N2C[C@H](O)[C@H](NC(=O)c3ccc[nH]3)C2)[nH]1 961530070 UAKOPBHMWSEKDB-OLZOCXBDSA-N 313.317 -0.170 30 20 DBED Cn1c(C(=O)N[C@H]2[C@@H]3CN(CC#N)C[C@@H]32)c2n(c1=O)CCCC2 961768557 CBYBZLFQHSUGJM-PJXYFTJBSA-N 315.377 -0.293 30 20 DBED C=CCCN1C[C@H]2C(NC(=O)[C@@H]3CCN(C)S3(=O)=O)[C@@H]2C1 962011282 PNWOFRQQEKNEBF-UTUOFQBUSA-N 313.423 -0.357 30 20 DBED C#CCCN1C[C@H]2C(NC(=O)Cn3nc(C)ccc3=O)[C@@H]2C1 962355788 XUZHZVNZETYWJC-CHWSQXEVSA-N 300.362 -0.379 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@H](NC(=O)c2cnnn2CC)C1 962746287 YTYUDEDJAJMBTG-PWSUYJOCSA-N 321.381 -0.188 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC2(CN(C(=O)c3ccnnc3)C2)C1 965465731 KRXADXHOOHKDLF-NSHDSACASA-N 315.333 -0.310 30 20 DBED C[C@H](C#N)C(=O)N1CCOC2(CN(C(=O)c3ncn(C)n3)C2)C1 965470560 HXVGYLPMCIMPSL-SNVBAGLBSA-N 318.337 -0.972 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1COC2(C1)CN(C(=O)COC)C2 965817752 RAIYDUKQPGHEHH-UPJWGTAASA-N 324.377 -0.290 30 20 DBED CC[C@H](OC)C(=O)N1CC(N2CCN(C(=O)[C@H](C)C#N)CC2)C1 967243563 FZXLICGLNKAPPJ-OCCSQVGLSA-N 322.409 -0.074 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H](N(C)C(=O)Cn2cnnn2)CC1 967472865 PTLCDMZKUYIFOW-NEPJUHHUSA-N 319.369 -0.328 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CCC(=O)N1C 969688058 NYIGYTGFLNSDIO-FVCCEPFGSA-N 318.377 -0.031 30 20 DBED CC#CCN1CC([C@@H](C)NC(=O)[C@@H]2CC(=O)N(CCOC)C2)C1 969787272 CJEVBWKBPBWKIA-ZIAGYGMSSA-N 321.421 -0.059 30 20 DBED C=C(C)CN1CCO[C@@]2(CCN(C(=O)Cn3cnnn3)C2)C1 972250353 YDSGLLZBQOIDPQ-AWEZNQCLSA-N 306.370 -0.448 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)CCN3CCCC3=O)C2)C1 972673439 INAYABSIBYCIQT-KRWDZBQOSA-N 319.405 -0.065 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCN3C(N)=O)C2)C1 972695852 KJGQLTCZBFGRNG-BBRMVZONSA-N 320.393 -0.534 30 20 DBED Cn1nnc(C(=O)N[C@H]2C[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)n1 974053510 JQXDLLVAQYUSAT-DTORHVGOSA-N 314.309 -0.899 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)[C@H]3CCC(=O)NC3)[C@H]2C1 976795807 AKPXQBQPDXGSJR-OQEOFVATSA-N 304.350 -0.755 30 20 DBED N#Cc1ccc(C(=O)NC2CCC(NC(=O)C(N)=O)CC2)[nH]1 980126208 FERMYMHJZDUDNF-UHFFFAOYSA-N 303.322 -0.471 30 20 DBED N#CCN1C[C@@H]2CC[C@H](NC(=O)CN3CCNC(=O)C3)C[C@H]2C1 980160275 NUQPDGCKOBSPEI-IHRRRGAJSA-N 319.409 -0.842 30 20 DBED C=CCN(C)C1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)CC1 985791389 DNWYEQHNEATJHY-LBPRGKRZSA-N 301.412 -0.213 30 20 DBED C[C@H]1[C@H](NCC#N)CCN1C(=O)c1cc(=O)n2[nH]cnc2n1 987357202 YQDSTZZTELQLCM-DTWKUNHWSA-N 301.310 -0.866 30 20 DBED C[C@@H]1[C@@H](NC(=O)[C@H]2COC(=O)N2)CCN1C(=O)C#CC1CC1 987790032 WAIJVLBLVVYSAE-ADEWGFFLSA-N 305.334 -0.386 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2COCCN2C)C1 990926380 BNYURTSZUOGDMW-RDBSUJKOSA-N 323.393 -0.765 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)C3CC3)[C@@H](O)C2)[nH]1 991196581 VVIGQSYPVPOBQU-YPMHNXCESA-N 302.334 -0.012 30 20 DBED O=C(N[C@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1O)[C@@H]1[C@H]2COC[C@H]21 991694063 JQWXIKMBCHQYRX-HCZIRCDUSA-N 318.373 -0.630 30 20 DBED C#CCN1CC[C@]2(NC(=O)CN3C(=O)CN(C)C3=O)CCC[C@H]12 992472985 JQMMQAFQJLMLKV-BLLLJJGKSA-N 318.377 -0.373 30 20 DBED C#CCN1CCC(C(=O)NC2CN(C(=O)c3cc[nH]n3)C2)CC1 993855308 NYIZWZKYPZJDGJ-UHFFFAOYSA-N 315.377 -0.305 30 20 DBED CCOc1cnc(C(=O)NC2CN(C(=O)[C@@H](C)C#N)C2)cn1 994957946 BMEVGJDKHHDGOG-VIFPVBQESA-N 303.322 -0.024 30 20 DBED C=CCN1CC[C@H](n2cc(CNC(=O)[C@@H]3CNC(=O)N3)nn2)C1 1000013261 HBPOVQUWYFLBSF-RYUDHWBXSA-N 319.369 -0.992 30 20 DBED C#Cc1ccc(C(=O)NCC2CN(C(=O)Cc3nc[nH]n3)C2)cn1 1003472193 YJTYCWWCKGZNIO-UHFFFAOYSA-N 324.344 -0.388 30 20 DBED C=C(C)CN1CCC[C@H](NC(=O)c2cn(CC(N)=O)nn2)C1 1009631396 BXDHLCVDRJEQBD-NSHDSACASA-N 306.370 -0.466 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)C(N)=O)[C@@H]2C)nc1 1012014767 GJQYCXMNIUSHLX-MWLCHTKSSA-N 300.318 -0.733 30 20 DBED C[C@H]1[C@H](NC(=O)Cn2cnnn2)CCCN1C(=O)C#CC1CC1 1014748051 YDTSBWLMTWUDST-WCQYABFASA-N 316.365 -0.418 30 20 DBED C=CC(C)(C)C(=O)N1CCC2(CN(C(=O)[C@@H]3CNC(=O)N3)C2)C1 1019349022 CDVJDMNOUDYXOZ-NSHDSACASA-N 320.393 -0.059 30 20 DBED C[C@@H](NC(=O)c1nccnc1C(N)=O)[C@@H]1CCCN(CC#N)C1 1025614032 FGWKTDARWNYSSW-GHMZBOCLSA-N 316.365 -0.071 30 20 DBED CC(C)c1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2O)n[nH]1 1025767451 PBYNEMWKXRKIRW-ZWKOPEQDSA-N 319.365 -0.006 30 20 DBED C=CCN[C@@H]1CC[C@H]2CN(C(=O)CN3C(=O)CN(C)C3=O)C[C@H]21 1026415805 LUPJTPIDHVPXMO-YNEHKIRRSA-N 320.393 -0.107 30 20 DBED N#CCN1CC[C@H](CNC(=O)[C@@H]2CCc3nnnn3CC2)C1 1028816332 CCNSTOGSJQRADA-VXGBXAGGSA-N 303.370 -0.413 30 20 DBED CCN1CC[C@@H](N2CC(NC(=O)c3ccc(C#N)[nH]3)C2)C1=O 1030225422 XSXYGKCLJJWNPU-CYBMUJFWSA-N 301.350 -0.079 30 20 DBED C=CCn1cc(C(=O)NC2CN([C@H](C)c3nnnn3C)C2)nn1 1031070266 WAJHMFMXEBOSKY-SECBINFHSA-N 317.357 -0.837 30 20 DBED C#CCCN1CC(CNC(=O)c2cc(=O)n3[nH]cnc3n2)C1 1032128168 VTUOAYOHJWVQSE-UHFFFAOYSA-N 300.322 -0.898 30 20 DBED N#Cc1cc(C(=O)NC[C@H]2CN([C@@H]3CCNC3=O)CCO2)c[nH]1 1035337581 VLILNUVBFSZWKX-QWHCGFSZSA-N 317.349 -0.795 30 20 DBED C#CCCN1CCO[C@H](CNC(=O)c2ccc3nn[nH]c3n2)C1 1035392506 XOULXBJZRPXJFE-LLVKDONJSA-N 314.349 -0.193 30 20 DBED CN(C)C(=O)CN1C[C@H]2C[C@H]1[C@H]2NC(=O)c1cc(C#N)c[nH]1 1037353465 KGYIKEJWWYDEOH-OSMZGAPFSA-N 301.350 -0.223 30 20 DBED CC(C)C#CC(=O)N1CC[C@](O)(CNC(=O)c2ncc[nH]2)C1 1039659789 HXERVNUTDUKPQN-HNNXBMFYSA-N 304.350 -0.238 30 20 DBED C=CCOCC(=O)N1CC[C@](O)(CNC(=O)c2conc2C)C1 1040756449 WAMDAHUVJMJFAK-HNNXBMFYSA-N 323.349 -0.121 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@]2(CCN(Cc3nnn(C)n3)C2)C1 1041144876 BMCRKADGCUAXDU-BXUZGUMPSA-N 303.370 -0.206 30 20 DBED N#Cc1nc(=N[C@H]2C[C@@H](NC(=O)C(N)=O)C23CCC3)cc[nH]1 1041610531 ITRBCMDCEKFHQR-DTWKUNHWSA-N 300.322 -0.905 30 20 DBED C#CCCN1CC[C@@]2(CCN(C(=O)C[C@H]3CC(=O)NC3=O)C2)C1 1041860868 KPLZWBUBHLYMLN-CXAGYDPISA-N 317.389 -0.013 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)CCc2cn[nH]c2)C1 1042052929 WRKYKOBGXSTBDA-UHFFFAOYSA-N 322.365 -0.766 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)CC(C)(C)O)C1 1042825989 GBIRMGUYDIQJIH-UHFFFAOYSA-N 300.355 -0.961 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)[C@H](OC)C2CC2)C1 1042842509 KQNQMZXUXGACPQ-DGCLKSJQSA-N 324.377 -0.861 30 20 DBED C=C(C)CCC(=O)NCC1(O)CN(C(=O)[C@H]2C[C@@H]2C(=O)OC)C1 1043310975 IHYXBPZTLXGIQN-RYUDHWBXSA-N 324.377 -0.159 30 20 DBED C=CCCOCC(=O)NCC1(O)CN(C(=O)c2cccnc2)C1 1043565834 QRIJYMKHMYJGGB-UHFFFAOYSA-N 319.361 -0.023 30 20 DBED N#Cc1nccnc1N1C[C@H](O)[C@H](NC(=O)[C@H]2CCCO2)C1 1043844678 GYSNNFWNOIGZGO-GRYCIOLGSA-N 303.322 -0.807 30 20 DBED N#Cc1nccnc1N1C[C@H](O)[C@H](NC(=O)Cc2ccoc2)C1 1043922266 SERGKYCGRLWKIQ-OLZOCXBDSA-N 313.317 -0.150 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)c2cn(C)nn2)C1 1044456845 ZUFAIJOVVVJIMU-UHFFFAOYSA-N 307.354 -0.670 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)c2cncnc2O)C1 1044474943 GTGARFYZHAUHHL-UHFFFAOYSA-N 320.349 -0.303 30 20 DBED C=C(C)CN[C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)[C@H](C)C1 1044606357 GKZZVMSRQIUPGR-VXGBXAGGSA-N 320.397 -0.078 30 20 DBED C=C(C)CN[C@H]1CCN(C(=O)CN2CCNC(=O)C2)[C@@H](C)C1 1044703487 VEWUCCOMMGCMRL-KBPBESRZSA-N 308.426 -0.037 30 20 DBED Cc1ncc(C(=O)NCC2(O)CN(C(=O)C#CC(C)C)C2)n1C 1045148894 ZOFXRWLQIOERFO-UHFFFAOYSA-N 318.377 -0.309 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)c2ccncc2F)C1 1045541546 XHHQPZZUBFSBSM-SECBINFHSA-N 306.297 -0.317 30 20 DBED N#CCN1CCC(F)(F)[C@H](CNC(=O)[C@@H]2COCCO2)C1 1046918992 MXLSKQATWRQSTH-MNOVXSKESA-N 303.309 -0.001 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2nnn(C(C)(C)C)n2)C1 1047388742 KRFVJCOHFKESQW-QWRGUYRKSA-N 306.370 -0.822 30 20 DBED CN(C(=O)c1ccc(C(N)=O)s1)[C@H]1CN(CC#N)C[C@@H]1O 1047562363 PQBYHYKOQUGPET-IUCAKERBSA-N 308.363 -0.512 30 20 DBED CN(C(=O)CSCC#N)[C@H]1CN(C(=O)C(C)(F)F)C[C@@H]1O 1048302535 VUSUPPZDNPUALM-IUCAKERBSA-N 321.349 -0.072 30 20 DBED CC(C)[C@@H](O)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C#CC2CC2)C1 1048821681 XWBNKQQJYQIEBL-KCQAQPDRSA-N 308.378 -0.553 30 20 DBED N#Cc1cnccc1N(CCO)[C@H]1CCCN(C(=O)C(N)=O)C1 1049164687 SLHYFFAPCQQWSW-LBPRGKRZSA-N 317.349 -0.772 30 20 DBED C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCS(=O)(=O)N1 1049900394 SXDPEFIFSDECPZ-JHJVBQTASA-N 311.407 -0.623 30 20 DBED C[C@@H]1[C@@H](NC(=O)c2ncn(C)n2)CCN1c1cncc(C#N)n1 1050240739 QRHOGJUJBAOPQM-KOLCDFICSA-N 312.337 -0.126 30 20 DBED C[C@@H]1[C@@H](NC(=O)Cn2ncnn2)CCN1c1cncc(C#N)n1 1050639475 MXWJUDCXTHUQOY-KOLCDFICSA-N 313.325 -0.882 30 20 DBED C#CCN1CCN([C@H]2CCN(C(=O)CCc3nc[nH]n3)C2)CC1 1052005996 KUWQLBCCKLVPCE-AWEZNQCLSA-N 316.409 -0.411 30 20 DBED C#CCOCCC(=O)NC[C@H]1CN(C(=O)c2cnn[nH]2)C[C@@H]1C 1052930529 YIHIAUMVLIXGSH-RYUDHWBXSA-N 319.365 -0.331 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC2(C1)CN([C@@H](C)c1nncn1C)C2 1053192220 YKKASYGBOQCIJV-RYUDHWBXSA-N 318.381 -0.051 30 20 DBED N#CCN1CC2(C1)CN(C(=O)c1ccoc1CC(N)=O)CCO2 1053397206 NUZOHOFDTITZAE-UHFFFAOYSA-N 318.333 -0.642 30 20 DBED C=CCN1CC2(CC[C@H](CNC(=O)c3c[nH]c(=O)cn3)O2)C1 1053654269 HVHPFEUGCUOVRU-LLVKDONJSA-N 304.350 -0.081 30 20 DBED C[C@H](O)CN1CC2(C[C@H](NC(=O)c3cc(C#N)c[nH]3)CO2)C1 1053765912 AHXGAGDOWYWSST-JQWIXIFHSA-N 304.350 -0.160 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)C[C@H]3CCC(=O)NC3)CO2)C1 1053826671 HKAYOMAHZZQKTL-ZIAGYGMSSA-N 319.405 -0.115 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)c3cc(C(N)=O)co3)CO2)C1 1053923201 PZXLZMCSVBDTBT-GFCCVEGCSA-N 317.345 -0.025 30 20 DBED N#Cc1nccnc1N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(N)=O)C2 1054839420 JDIDLCLNPKKQJW-GUBZILKMSA-N 300.322 -0.375 30 20 DBED COCCn1nc(C(=O)N2C[C@H](C)[C@@H](NCC#N)C2)ccc1=O 1054878295 AQAHAHZPJFZHAH-AAEUAGOBSA-N 319.365 -0.537 30 20 DBED N#Cc1ccc(N2CCN(C(=O)c3ccc(O)nn3)CC2)nn1 1055715285 ZVAITKYRBOHMTR-UHFFFAOYSA-N 311.305 -0.194 30 20 DBED N#Cc1ccc(N2CCN(C(=O)CC(N)=O)CC2)c([N+](=O)[O-])c1 1055746733 FOWLNBHZZVBEPZ-UHFFFAOYSA-N 317.305 -0.010 30 20 DBED CN1CC[C@@H](C(=O)N2CCN(c3ccnc(C#N)n3)CC2)C1 1055818746 VOHQYDCXTAPINB-GFCCVEGCSA-N 300.366 -0.051 30 20 DBED N#Cc1ccc(N2CCN(C(=O)[C@H]3CNC(=O)N3)CC2)nc1 1055998494 IBNCCRHVUJOMOM-LLVKDONJSA-N 300.322 -0.717 30 20 DBED CC(=O)NC(C)(C)C(=O)NCCN(CCO)C(=O)C#CC1CC1 1057531102 FDXIWRAEHXPTHQ-UHFFFAOYSA-N 323.393 -0.748 30 20 DBED C#CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)[C@@H](F)CC 1057587827 MKAJQQZDLMJMLB-RYUDHWBXSA-N 302.346 -0.290 30 20 DBED C=C[C@H](C)[C@H](C)C(=O)NCCN(CCO)C(=O)c1nc[nH]n1 1058388387 CXECZEKIDQGYCR-QWRGUYRKSA-N 309.370 -0.186 30 20 DBED COCCOCCC(=O)NCCN(CCO)C(=O)[C@H](C)C#N 1058660678 FTVCILWMRJEMEG-GFCCVEGCSA-N 315.370 -0.864 30 20 DBED CN1CCOC[C@@H]1C(=O)N[C@H]1C[C@@H](Nc2cncc(C#N)n2)C1 1059598224 YRQRZBBVCJMXLF-NTZNESFSSA-N 316.365 -0.262 30 20 DBED N#Cc1nc(=NC[C@H]2CCCCN2C(=O)CC(N)=O)cc[nH]1 1060227002 AZOROBRHPAECPQ-SNVBAGLBSA-N 302.338 -0.561 30 20 DBED C=CCCC(=O)N1CCOC[C@@H]1CNC(=O)CCn1cnnn1 1061814143 MQYDZJLTLUTWRE-LBPRGKRZSA-N 322.369 -0.627 30 20 DBED N#Cc1nccnc1N1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCNC1=O 1062555506 FQYIHJINWMNLEA-GARJFASQSA-N 312.333 -0.726 30 20 DBED CN(C(=O)Cn1nccn1)[C@H]1CCN(c2nccnc2C#N)C1 1062983688 FYIYLXLSSBAINZ-NSHDSACASA-N 312.337 -0.323 30 20 DBED C=CCO[C@H](C)C(=O)NC1(CNC(=O)[C@H]2CCNC2=O)CCC1 1063913188 RIHHCVRTECKJNR-NEPJUHHUSA-N 323.393 -0.131 30 20 DBED N#Cc1nc(=NC2C[C@@H]3CCC[C@H](C2)N3C(=O)C(N)=O)cc[nH]1 1064448558 LLGFKHWJWKBPLZ-FGWVZKOKSA-N 314.349 -0.421 30 20 DBED Cc1ncc(C(=O)N2CCO[C@H](CNC(=O)[C@@H](C)C#N)C2)[nH]1 1064978638 WRLYDPCTABLHGE-GXSJLCMTSA-N 305.338 -0.165 30 20 DBED COc1cc(C(=O)N2CCO[C@H](CNC(=O)[C@@H](C)C#N)C2)on1 1065067781 PEPYGQFBJUUSPQ-VHSXEESVSA-N 322.321 -0.200 30 20 DBED Cn1ncc(C(=O)N[C@@]2(C)CCN(c3ccnc(C#N)n3)C2)n1 1065264263 ZJCTWIXVDAFWBA-AWEZNQCLSA-N 312.337 -0.124 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)CN(C)C2CCC2)C1 1065559367 CBLGILWKOJDHOM-JSGCOSHPSA-N 322.409 -0.026 30 20 DBED C[C@H]1CN(C(=O)CC(N)=O)C[C@H]1CN=c1cc[nH]c(C#N)n1 1065827596 BXWWKCUZYISGTI-VHSXEESVSA-N 302.338 -0.848 30 20 DBED C=CCOCC(=O)N[C@H]1CCCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1 1065987068 KKPCGPXFOKOCEB-XQQFMLRXSA-N 323.393 -0.192 30 20 DBED C=CCO[C@H](C)C(=O)N(C)CCCN(C)C(=O)Cn1cnnn1 1066785971 CEQKDHZSGWJCHH-GFCCVEGCSA-N 324.385 -0.429 30 20 DBED C[C@@H]1[C@@H](Nc2cncc(C#N)n2)CCN1C(=O)Cn1cnnn1 1068777562 UGWBYNJCTVYWHC-KOLCDFICSA-N 313.325 -0.564 30 20 DBED C[C@H]1C[C@@H](N=c2cc[nH]c(C#N)n2)CN1C(=O)c1cnn(C)n1 1069119058 NFBUMLCTRWJNPY-VHSXEESVSA-N 312.337 -0.386 30 20 DBED Cc1ccn(CC(=O)N2C[C@H](n3ccnn3)[C@H](NCC#N)C2)n1 1070277446 QLFZGGOTMRQYRY-OLZOCXBDSA-N 314.353 -0.652 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCCN(C(=O)COCC=C)C1 1070554441 QMLRQGMMMBSZGE-CYBMUJFWSA-N 321.377 -0.564 30 20 DBED N#CCN1CCOC[C@@H]1c1n[nH]c(CNC(=O)c2ccon2)n1 1070582033 RTYUZDPNFWNYAM-SNVBAGLBSA-N 317.309 -0.380 30 20 DBED C#CCCN1C[C@H]2C[C@@H]3CN(C(=O)[C@H]4C[C@H]4C(N)=O)C[C@@]3(C1)O2 1070855091 CFHQOFWEHYYVSC-MNLSVMLLSA-N 317.389 -0.567 30 20 DBED C=CCOCC(=O)N1C[C@H](C)[C@@H](NC(=O)CCNC(N)=O)C1 1071812569 UXVWWNKWZOFUMM-QWRGUYRKSA-N 312.370 -0.790 30 20 DBED C=CCCOCC(=O)N[C@H]1CN(C(=O)Cn2ncnn2)C[C@H]1C 1072160701 GRHUDODOGQGHGZ-NEPJUHHUSA-N 322.369 -0.771 30 20 DBED C=CCCOCC(=O)N1C[C@@H](C)[C@@H](NC(=O)c2nnn(C)n2)C1 1072338866 IJYFMJOYCMRTNJ-MNOVXSKESA-N 322.369 -0.621 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)c2cnc(N(C)C)cn2)C1 1073603994 TZXRSCMTTSWSCG-ZDUSSCGKSA-N 317.393 -0.004 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](NC(=O)COCC)[C@@H](C)C1 1073672972 MPYQPDVFHYWKPB-STQMWFEESA-N 323.393 -0.484 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2CN(C[C@H](C)O)CCCO2)nn1 1073807380 NRSKMHVCEJAHOE-QWHCGFSZSA-N 323.397 -0.334 30 20 DBED CC(=O)NCC(=O)N1CC[C@H](NC(=O)C#CC2CC2)[C@@H](C)C1 1073946578 SRBMLQLYRDCRTQ-FZMZJTMJSA-N 305.378 -0.111 30 20 DBED C#CCCCC(=O)N1CC[C@@H]2CN(C(=O)C(N)=O)C[C@@H]2CC1 1074324122 SCPZDJGVCCNVLB-BETUJISGSA-N 305.378 -0.028 30 20 DBED O=C(NCC1(O)CCN(C(=O)C#CC2CC2)CC1)c1nc[nH]n1 1074581098 JICJVTZDTMGKGF-UHFFFAOYSA-N 317.349 -0.699 30 20 DBED CC#CCCCC(=O)N1CCC(O)(CNC(=O)C(N)=O)CC1 1074680801 CVYKQNCYBURCOC-UHFFFAOYSA-N 309.366 -0.865 30 20 DBED C[C@@H](CCNC(=O)C#CC1CC1)NC(=O)Cn1ncn(C)c1=O 1076431314 CDBDPFOOBKWLPB-NSHDSACASA-N 319.365 -0.994 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H](C)CCNC(=O)C(C)(C)C(N)=O 1076964969 IIRXPHOWFMZREF-ZUZCIYMTSA-N 313.398 -0.164 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)c2cn(CCOC)nc2C)C1 1076992197 JOMYAXIHSYSEQV-HUUCEWRRSA-N 320.393 -0.364 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)c2cncc3ncn(C)c23)C1 1077161104 INNPKCUDBFLSCM-ZIAGYGMSSA-N 313.361 -0.234 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2cccc(-n3ccnc3)n2)C1 1077275275 ZMJIOYIBTIVFOQ-CHWSQXEVSA-N 312.333 -0.434 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCN(CC(F)(F)F)C2)C1 1077574233 KVKQNALNFUQUDJ-IJLUTSLNSA-N 319.327 -0.335 30 20 DBED C#CCN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)CN1C(=O)CNC1=O)C2 1079102365 NKUAHGPXOVOKGJ-IJLUTSLNSA-N 304.350 -0.860 30 20 DBED CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)[C@H]2CN(C)CCO2)C1 1080411367 KHEGLAQJXZNKAA-DGCLKSJQSA-N 308.382 -0.464 30 20 DBED CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)[C@@H]2CCNC(=O)C2)C1 1080411485 NEPLKCICRINHTI-WDEREUQCSA-N 306.366 -0.268 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(C(=O)c2cnns2)C[C@@H]1O 1081468350 IQZZFGJUMZNSPM-MNOVXSKESA-N 320.374 -0.499 30 20 DBED C=C(C)CCC(=O)NC[C@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1O 1081530813 KOYANMHQMDNSGL-QWRGUYRKSA-N 307.354 -0.290 30 20 DBED C=C(C)CCC(=O)NC[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1O 1081531711 WHHMGTMXJGLCJW-GHMZBOCLSA-N 322.369 -0.885 30 20 DBED C=C1CCC(C(=O)N2C[C@H](CNC(=O)C(N)=O)[C@@H](O)C2)CC1 1081719469 RSGMLGVTJXTADG-RYUDHWBXSA-N 309.366 -0.846 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1cccn2nnnc12 1081733945 CYPNGNIOVFHGOY-GHMZBOCLSA-N 301.310 -0.923 30 20 DBED C=C(C)CCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)Cc2nc[nH]n2)C1 1081792095 YOGJJFLVLBNZRN-NWDGAFQWSA-N 321.381 -0.361 30 20 DBED C=CCN1C[C@@H](NC(=O)[C@@H]2CN(C(C)=O)CCO2)[C@H](OC)C1 1082351450 UVTUDTNOLVIJNB-MCIONIFRSA-N 311.382 -0.765 30 20 DBED C=C(C)CN1C[C@@H](NC(=O)c2ccc(=O)n(C)n2)[C@H](OC)C1 1082357882 XLUQPATUWRUWJJ-CHWSQXEVSA-N 306.366 -0.215 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)C[C@H]1CCNC1=O 1083103623 BXYLBBQUHKDDOU-HZSPNIEDSA-N 305.378 -0.553 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)C1 1083484123 WDXJAPMPRDLWOQ-ZNMIVQPWSA-N 321.421 -0.018 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)c2ccc(OCC(N)=O)cc2)C1 1083620878 KEEFEDUHRKZFRO-KGLIPLIRSA-N 319.361 -0.488 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2cnn(-c3ccccn3)c2)C1 1083829490 QVPHTQBDQDGFIS-KGLIPLIRSA-N 311.345 -0.325 30 20 DBED C#CCCN1CC[C@@H]2CN(C(=O)C[C@@H]3NC(=O)NC3=O)[C@@H]2C1 1084416560 KQPXMSXQQAOIDU-GRYCIOLGSA-N 304.350 -0.860 30 20 DBED C[C@@H](C(=O)N1C[C@H]2CCN(CC#N)C[C@H]2C1)N1C(=O)CCC1=O 1087985966 NYONMYTWFXBBGY-XQQFMLRXSA-N 318.377 -0.172 30 20 DBED C[C@@H]1CC[C@@H](NC(=O)CC(N)=O)CN1c1cnc(C#N)cn1 1089127756 SMNBMFQUCKMOLB-NXEZZACHSA-N 302.338 -0.303 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cnc(N(C)C)cn2)[C@@H](O)C1 1090265478 MSOLUOZOQDCSBE-AAEUAGOBSA-N 303.366 -0.659 30 20 DBED N#Cc1nccnc1N1C[C@@H]2CCN(C(=O)CNC(N)=O)[C@@H]2C1 1090288336 JOUOIYIFTZPTFB-GXSJLCMTSA-N 315.337 -0.946 30 20 DBED N#CCSCC(=O)N[C@@H]1CN(c2cnc(F)cn2)C[C@H]1O 1090373607 JOYUDSMHLMGVKF-RKDXNWHRSA-N 311.342 -0.462 30 20 DBED COc1c(C(=O)N[C@H]2CCN(CC#N)C[C@@H]2O)c(C)nn1C 1090616895 SGWSLIPDSXBNDI-QWRGUYRKSA-N 307.354 -0.574 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1091149699 FBXTUJHPOYHOCE-OLZOCXBDSA-N 315.333 -0.946 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@@H]1O 1091153162 UKPVUFIMKKRTQY-BNOWGMLFSA-N 314.345 -0.343 30 20 DBED CCOCC(=O)N[C@@H]1CCN(c2nc(C)cc(C#N)n2)C[C@@H]1O 1092130429 VZVNWUAIYQLDQI-OLZOCXBDSA-N 319.365 -0.251 30 20 DBED Cc1nnsc1C(=O)NCc1cn(C2CN(CC#N)C2)nn1 1094275009 YYUBLCLKYJGQRD-UHFFFAOYSA-N 318.366 -0.252 30 20 DBED C[C@@]1(C(=O)NCCCNc2cncc(C#N)n2)CNC(=O)C1 1094670145 AYBRFKZCHLVLOX-AWEZNQCLSA-N 302.338 -0.207 30 20 DBED CC#CCN1CC(N2C[C@@H](NC(=O)c3cnco3)CC2=O)C1 1094768243 RTPDFSJXGSGJON-NSHDSACASA-N 302.334 -0.287 30 20 DBED N#Cc1nc(=N[C@@H]2CCN(C(=O)CCCCC(N)=O)C2)cc[nH]1 1095058377 JJDLBXXHYXBGAN-LLVKDONJSA-N 316.365 -0.171 30 20 DBED CN(CCCNC(=O)[C@H]1CCCC(=O)N1)c1nccnc1C#N 1095661192 LQCNEQHHMUQMTJ-LLVKDONJSA-N 316.365 -0.041 30 20 DBED C=CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H]1CCN(C)S1(=O)=O 1096143991 IJLFETFMILUVOC-VOAKCMCISA-N 313.423 -0.072 30 20 DBED N#Cc1ccc(N[C@H](CNC(=O)[C@@H]2COC(=O)N2)C2CC2)nn1 1096660735 ZAEQBWWQUMCRBZ-MNOVXSKESA-N 316.321 -0.237 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1C[C@H](Nc2cnc(C#N)cn2)C1 1097015005 MOPLDQDWTYCJRR-XYPYZODXSA-N 312.333 -0.453 30 20 DBED C[C@H](CNC(=O)[C@H]1COCCN1C)Nc1cncc(C#N)n1 1097765852 ZHHDDSIDYJNFKC-ZYHUDNBSSA-N 304.354 -0.405 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H](C)Nc1nc(C)cc(OC)n1 1097768688 QDZXVHQIWQFMBE-LLVKDONJSA-N 319.365 -0.150 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC(N(CCO)C[C@H](C)O)CC1 1098368767 HFOWZSBXFSUHSH-UONOGXRCSA-N 312.410 -0.309 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)Cc2cc[nH]n2)[C@H](O)C1 1099750921 WAIALOSHSPPNME-ZIAGYGMSSA-N 308.382 -0.294 30 20 DBED COCC#CCN1CC[C@H](NC(=O)C2=CCOCC2)[C@@H](O)C1 1099785907 JXTGFXCRTCFGCQ-GJZGRUSLSA-N 308.378 -0.466 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2cnnc(C)c2)[C@@H](O)C1 1099792667 XTCYDEDNZZIHQO-GJZGRUSLSA-N 318.377 -0.400 30 20 DBED C=C(C)CCN1CC[C@H](NC(=O)CCS(C)(=O)=O)[C@@H](O)C1 1099895103 ULJVDIFKQIDGSN-STQMWFEESA-N 318.439 -0.061 30 20 DBED C#CCN1CC[C@H](NC(=O)CCc2cn(C)nc2C)[C@@H](O)C1 1100025323 VNJSBIJJJFTFBX-GJZGRUSLSA-N 304.394 -0.154 30 20 DBED C=C(Cl)CN1CC[C@@H](NC(=O)CC(=O)N(C)C)[C@H](O)C1 1100027125 MJLNKJQDPOLIDX-GHMZBOCLSA-N 303.790 -0.231 30 20 DBED C=CCOCC(=O)NCC1CC(N[C@H](C)C(=O)NC(N)=O)C1 1100187987 VRDVWYWWPVBWIB-KPPDAEKUSA-N 312.370 -0.743 30 20 DBED C#CCNC(=O)[C@H](C)NC1CC(CNC(=O)c2cnc(C)[nH]2)C1 1100190114 JVGOQVARPNCRIN-PKSQDBQZSA-N 317.393 -0.046 30 20 DBED CN(CCNC(=O)[C@@H]1CC[C@H]1C(N)=O)c1ccc(C#N)nn1 1100268762 HQIDXUWQGVRIED-GHMZBOCLSA-N 302.338 -0.588 30 20 DBED C#CCO[C@H](C)C(=O)NCC1CC(NCc2nnnn2C)C1 1100322830 VZOBXTOVEPMXRO-VOMCLLRMSA-N 306.370 -0.767 30 20 DBED CCN(CCNC(=O)[C@@]1(C)CCNC1=O)c1cnc(C#N)cn1 1100716070 MXRSLBJOKFBGEK-HNNXBMFYSA-N 316.365 -0.183 30 20 DBED Cc1nsc(N2CC[C@H](CNC(=O)CNC(N)=O)C2)c1C#N 1100927732 OYSSXRFUWRBEIF-SECBINFHSA-N 322.394 -0.066 30 20 DBED CNC(=O)CC(=O)N(C)[C@H]1CCN(c2ccnc(C#N)n2)C1 1102698190 XMLKWYYDIKKVLH-JTQLQIEISA-N 302.338 -0.479 30 20 DBED C[C@@](CN=c1cc[nH]c(C#N)n1)(NC(=O)c1cnn[nH]1)C1CC1 1103585139 QVOCFDJTNQKKAB-AWEZNQCLSA-N 312.337 -0.101 30 20 DBED C[C@H](CN=c1cc[nH]cc1C#N)CNC(=O)[C@H]1C[C@H]1C(N)=O 1104209150 QYZJJZMXMAPAQH-JLLWLGSASA-N 301.350 -0.339 30 20 DBED CC(C)C[C@@H](CN=c1cc[nH]cc1C#N)NC(=O)CNC(N)=O 1104906145 CZZUGUCQYZQJST-LBPRGKRZSA-N 318.381 -0.014 30 20 DBED N#CCNCc1cn(C2CN(C(=O)c3csc(O)n3)C2)nn1 1105309899 HRQGOUJFRDEZCG-UHFFFAOYSA-N 319.350 -0.250 30 20 DBED C=CCOCC(=O)NC[C@@H](O)CNc1nc[nH]c2ncnc1-2 1105748473 UYEJRRXNLDHNHE-SECBINFHSA-N 306.326 -0.604 30 20 DBED CO[C@H](C)CC(=O)NC[C@H](O)CNc1nc(C)cc(C#N)n1 1105782494 MUIQHGAUVRHKHH-PWSUYJOCSA-N 307.354 -0.029 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)c2cncnc2O)nc1 1106006654 BJVLCPZZXUDIFT-JTQLQIEISA-N 314.305 -0.348 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1C 1106136151 UJJFQJOTEYASCL-CHWSQXEVSA-N 306.370 -0.993 30 20 DBED C=CCOCCNC[C@@H]1CN(C(=O)CCn2cnnn2)C[C@H]1C 1106797591 RDCYJRGJXJGPFT-ZIAGYGMSSA-N 322.413 -0.050 30 20 DBED Cc1cc(=NC/C=C/CNC(=O)CS(C)(=O)=O)c(C#N)c[nH]1 1107104628 BJVCAPZLSPCLOS-ONEGZZNKSA-N 322.390 -0.188 30 20 DBED N#CCN1CC(n2cc(CNC(=O)CCc3ncc[nH]3)nn2)C1 1107164245 XGVFUXDDKTYWPR-UHFFFAOYSA-N 314.353 -0.370 30 20 DBED C#CCO[C@H](C)C(=O)NCc1cn(C2CN(CC#CC)C2)nn1 1107170025 ZQJSWFWUIJOOJO-CYBMUJFWSA-N 315.377 -0.187 30 20 DBED Cn1cnn(CC(=O)NC[C@]23CCC[C@H]2N(CC#N)CC3)c1=O 1107457896 VVIKCFMEMCRZRJ-IUODEOHRSA-N 318.381 -0.534 30 20 DBED CC#CCN1CCO[C@@](C)(CNC(=O)[C@@H]2CCNC(=O)C2)C1 1107864225 PKTROKILSYGPIN-CJNGLKHVSA-N 307.394 -0.257 30 20 DBED C=CCOCCN1CCO[C@](C)(CNC(=O)CC(=O)NC)C1 1107891737 KBJQTGVHYZVAJA-OAHLLOKOSA-N 313.398 -0.468 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)c1ccn2nnnc2c1 1108044127 PNYLCLZNZCZWPL-SECBINFHSA-N 323.320 -0.562 30 20 DBED C[C@H](CNc1ccc(C#N)cn1)NC(=O)[C@@H]1CC(=O)NC(=O)N1 1108151363 QJFYJNNLGCDYFF-SCZZXKLOSA-N 316.321 -0.532 30 20 DBED Cc1nc(CC(=O)N[C@@H](C)CNc2ccc(C#N)nn2)n[nH]1 1108357245 BWCROXNQBGWWMB-QMMMGPOBSA-N 300.326 -0.066 30 20 DBED C=CCN1CCO[C@](C)(CNC(=O)C[C@@H]2CC(=O)NC2=O)C1 1108447595 WLUCXEWCLWSCGH-IAQYHMDHSA-N 309.366 -0.568 30 20 DBED C#CCNC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)COCC 1108894351 AVVGSGXCFJOJGH-CRWXNKLISA-N 307.394 -0.118 30 20 DBED C[C@@H](CN(C)c1ccnc(C#N)n1)NC(=O)c1cc(=O)n(C)o1 1108917889 QCXASUNIOIVIJL-VIFPVBQESA-N 316.321 -0.105 30 20 DBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C[C@@H]1CCOC1 1109101384 UMQJICFGGMBZSD-CRWXNKLISA-N 320.393 -0.226 30 20 DBED CNC(=O)C1(C(=O)N(C)CCCN=c2cc[nH]c(C#N)n2)CC1 1109477697 GMSMWWGCIWISHP-UHFFFAOYSA-N 316.365 -0.443 30 20 DBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cnon1 1109866458 CMFZXJWMIPAKAJ-YWVKMMECSA-N 304.310 -0.956 30 20 DBED CN(C)CCC(=O)NC[C@@]1(O)CCN(c2ccc(C#N)nn2)C1 1111124465 LRWSXQXKNGNCGJ-HNNXBMFYSA-N 318.381 -0.643 30 20 DBED C[C@H](CNC(=O)CNC(=O)C1CC1)N(C)c1nccnc1C#N 1113505201 UQCYMUJZXVBHCL-SNVBAGLBSA-N 316.365 -0.185 30 20 DBED C[C@H](CC(=O)N1CCN(CC(=O)NCC#N)CC1)[C@H]1CCCO1 1113578720 PNRUNUCPPOCKGL-ZIAGYGMSSA-N 322.409 -0.024 30 20 DBED C=C(C)CN1CCN(C(=O)CCS(=O)(=O)N(C)C)CC1 1113673321 MBBROCNVPYGLKO-UHFFFAOYSA-N 303.428 -0.012 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)c3cn(C)nn3)[C@H]2C1 1114218031 ZUMBEACZXSGXPD-DCAQKATOSA-N 318.381 -0.834 30 20 DBED CC(C)C#CC(=O)NC1[C@@H]2CN(Cc3nc(=O)n(C)[nH]3)C[C@@H]12 1114237360 KZZRJGVWKVBACH-GHMZBOCLSA-N 303.366 -0.686 30 20 DBED N#Cc1cnc(N2C[C@H]3[C@H](CNC(=O)Cc4nc[nH]n4)[C@H]3C2)cn1 1114572470 QLBFKIJMCOWIKB-CNDDSTCGSA-N 324.348 -0.493 30 20 DBED CC#CCCCC(=O)NC1[C@H]2CN(CC(=O)NC(=O)NC)C[C@H]12 1114717962 FJNIHTDITHXJOQ-RYUDHWBXSA-N 320.393 -0.318 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3ccn(C)c3C)[C@H]2C1 1114795833 AKQIVHNMCPUOBQ-KBPBESRZSA-N 314.389 -0.257 30 20 DBED C=CCO[C@H](C)C(=O)NC1[C@@H]2CN(Cc3nnnn3C)C[C@@H]12 1115332491 OMBHVKDQGQTNKY-GMTAPVOTSA-N 306.370 -0.652 30 20 DBED C[C@H](CN(C)C(=O)[C@@H]1CCN(C)C1=O)N=c1cc[nH]c(C#N)n1 1120485656 KDWGHPFUONIFPQ-GHMZBOCLSA-N 316.365 -0.493 30 20 DBED CN(C)[C@@H](C(=O)NC[C@H](CO)Nc1ccc(C#N)nn1)C1CC1 1122152620 IIRFQSWVVSIRPU-TZMCWYRMSA-N 318.381 -0.423 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)COCC=C 1124772541 FEVJDJNNDGUWBO-LLVKDONJSA-N 312.370 -0.705 30 20 DBED C[C@H](C#N)C(=O)NCCNCc1nc(O)c2cnn(C)c2n1 1124897107 RSKAGEJSVGCBHY-MRVPVSSYSA-N 303.326 -0.566 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCNCC(=O)Nc1cc(C)on1 1126365923 OORDTEVYHUSQOW-CQSZACIVSA-N 310.354 -0.046 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)[C@H](OC)C1CC1 1126486868 LPKPICOMQPTVLL-GFCCVEGCSA-N 312.370 -0.871 30 20 DBED C#CCOCCC(=O)NCCNCC1(CS(C)(=O)=O)CC1 1127031641 JXZWBJCUUDJDOY-UHFFFAOYSA-N 316.423 -0.443 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)[C@@H](C1CC1)N(C)C 1129436517 QDMIWFNPCIQREV-OAHLLOKOSA-N 323.441 -0.205 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cn2c(n1)C[C@H](C)CC2 1130227451 ZDMNHMMJJSPROX-GFCCVEGCSA-N 317.393 -0.466 30 20 DBED C=C(C)CCN1CCOC[C@H]1c1n[nH]c(CNC(=O)C(N)=O)n1 1130857147 SZXWJSIBYQPOPT-JTQLQIEISA-N 322.369 -0.754 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1cc(O)nc(CC)c1 1131410396 FOXVPKHKKSSDJX-UHFFFAOYSA-N 306.366 -0.029 30 20 DBED COCC#CCN1C[C@@H](NC(=O)C2(C(N)=O)CC2)CC[C@@H]1C 1132262517 YMBFIMNEEUZGAD-STQMWFEESA-N 307.394 -0.129 30 20 DBED C#CCN1C[C@H](NC(=O)CS(=O)(=O)N(C)C)CC[C@@H]1C 1132452929 GVCAKMKQXOQTSC-NWDGAFQWSA-N 301.412 -0.520 30 20 DBED C=C(C)C[C@H](C)C(=O)NCCNCc1cc(=O)n(C)c(=O)n1C 1132667993 YQLXUWFQVCMNPP-LBPRGKRZSA-N 322.409 -0.108 30 20 DBED C=CCOCC(=O)N[C@H](C)C[C@H](C)NCCNS(C)(=O)=O 1133913741 WAFAGVJPANYUSG-NWDGAFQWSA-N 321.443 -0.389 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)c1nn(C)cc1C 1134333372 NNBRTMAUUTYUHZ-OLZOCXBDSA-N 319.409 -0.036 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NCCN[C@H]1CCN(CC)C1=O 1134816474 DLNUSLSIEVVZFS-KBPBESRZSA-N 324.425 -0.216 30 20 DBED C=CCCn1cc(C(=O)NCCN[C@@H](C)c2nnnn2C)nn1 1135075339 GMGWMGZIQRXRKG-JTQLQIEISA-N 319.373 -0.542 30 20 DBED CC#CCN[C@H](C)C[C@@H](C)NC(=O)CN1CCC(=O)NC1=O 1135894133 XWWSUXJIEQUSHW-VXGBXAGGSA-N 308.382 -0.176 30 20 DBED C#Cc1ccc(C(=O)NCCNCc2nnnn2CCC)nc1 1148376591 LDOUFZAFPRWJIS-UHFFFAOYSA-N 313.365 -0.021 30 20 DBED C#CCNC(=O)[C@H](C)N1CCCO[C@H](CNC(=O)C2CC2)C1 1148941337 KFGHOYITRSUXPJ-GXTWGEPZSA-N 307.394 -0.259 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)[C@H](C)CS(C)(=O)=O)C1 1150787630 NYRADWNAPINIGT-CHWSQXEVSA-N 316.423 -0.493 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1c[nH]nc1-c1ccco1 1151563751 IHCFOFBPFQCIQZ-UHFFFAOYSA-N 316.321 -0.371 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@H]1CCc2c[nH]nc2C1 1151730758 WEHRCKZDTRNNOF-RYUDHWBXSA-N 317.393 -0.642 30 20 DBED COCC#CCNCCNC(=O)Cc1ccc(C(N)=O)cc1 1152963711 OUUNWFSUSYHNCQ-UHFFFAOYSA-N 303.362 -0.316 30 20 DBED C=CCO[C@@H](C)C(=O)NCCNCCCN1C(=O)CNC1=O 1153149027 QMMRRAZBVXGUTL-NSHDSACASA-N 312.370 -0.775 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)CN(C)C(C)=O)C1=O 1154825207 YWWWIZKTVZOSTM-ZDUSSCGKSA-N 310.398 -0.653 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)C[C@](C)(O)C1CC1 1156777013 IINJAJDORXJMAJ-WBMJQRKESA-N 309.410 -0.229 30 20 DBED C=CCNC(=O)CNCCCNC(=O)c1ccn(C)c(=O)c1 1161163003 MNYHHQRTSBOVFO-UHFFFAOYSA-N 306.366 -0.603 30 20 DBED COc1ccnc(C(=O)NCCCNCC(=O)NCC#N)c1 1163774375 WNZAWJDFBACUFH-UHFFFAOYSA-N 305.338 -0.561 30 20 DBED COCC#CCNCCCNC(=O)C(C)(C)S(C)(=O)=O 1167549295 GVCQMEUJSQUVHG-UHFFFAOYSA-N 304.412 -0.445 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)[C@H](C)OCCOC 1167552877 SWPAQUZBICFURN-STQMWFEESA-N 315.414 -0.176 30 20 DBED C[C@@H](CCCCNCC(=O)NCC#N)NC(=O)c1cnn(C)c1 1169076591 QURSUTKDSPBAQZ-LBPRGKRZSA-N 320.397 -0.062 30 20 DBED C#CCNC(=O)CNCCCNC(=O)CCCc1nc(C)no1 1175983374 GZLXWCCRVSBOCJ-UHFFFAOYSA-N 321.381 -0.454 30 20 DBED C#CCCN1CCO[C@H]2CCN(C(=O)C3(C(=O)NC)CC3)C[C@H]21 1177112017 DIXXPFDYXKRBPJ-KGLIPLIRSA-N 319.405 -0.162 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)CSCC#N)[C@H]1C 1178156190 LLQHYVSBZSJHLI-AGIUHOORSA-N 322.434 -0.040 30 20 DBED CC#CCNCCCCCCNC(=O)CNS(=O)(=O)NC 1179140219 VJQRANNIVHYVMX-UHFFFAOYSA-N 318.443 -0.670 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](NCC(=O)NC(=O)NC2CC2)C1 1181653283 WMZOAHFEEYUKNP-MWLCHTKSSA-N 307.354 -0.675 30 20 DBED CN(CCN[C@@H]1CCN(C(=O)C#CC2CC2)C1)S(C)(=O)=O 1182389698 VHNXIKQCJCPSNN-CYBMUJFWSA-N 313.423 -0.518 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)Cc2ccn(CC)n2)C1 1182701296 RWGHDMXCSOOQIM-CQSZACIVSA-N 317.393 -0.615 30 20 DBED CC#CCNC[C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)C[C@@H]1C 1185325387 BDPXEMIJGGUFSC-STQMWFEESA-N 320.393 -0.364 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)CN2CCC[C@H]2C)C1 1185659568 KPNQURNKGFOIAV-ZIAGYGMSSA-N 308.426 -0.037 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3ccccn3)[C@@H]2C1 1186651451 JANBVFSMGCQDRQ-DZGCQCFKSA-N 312.373 -0.023 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](N(C)CCN(C)S(C)(=O)=O)C1 1189390620 SCWSKAZSLKBIKA-NWDGAFQWSA-N 316.427 -0.430 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](N(C)CC(=O)NC2CCOCC2)C1 1189390704 TYFLOWGSXPRNQB-JSGCOSHPSA-N 322.409 -0.026 30 20 DBED C#CCCCC(=O)N1CC[C@@H](N(C)CCNS(C)(=O)=O)C1 1189926712 RAYQHUHVKCRJLF-CYBMUJFWSA-N 315.439 -0.128 30 20 DBED Cc1nnc(CC(=O)N2CC[C@H](N(C)CC(=O)NCC#N)C2)o1 1189964223 QKNNHBMGVMXRGY-NSHDSACASA-N 320.353 -0.907 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(Cc2ccc(OC)nc2)C[C@H]1O 1191806790 CRHNWDBYJBQNTB-ZIAGYGMSSA-N 321.377 -0.046 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1191830064 TYRIZKGLHFJZCV-CXTNEJHOSA-N 307.394 -0.286 30 20 DBED CN(C(=O)CN1C[C@@H](O)[C@H](NC(=O)C#CC2CC2)C1)C1CC1 1192770299 IVKXVQNUVMRCGQ-ZIAGYGMSSA-N 305.378 -0.818 30 20 DBED C#CCC1(C(=O)N[C@@H]2CN(CC#CC)C[C@H]2O)CCOCC1 1193726900 GJEMLRMLDVFPFT-HUUCEWRRSA-N 304.390 -0.009 30 20 DBED COc1cncc(CCC(=O)N[C@@H]2CN(CC#N)C[C@H]2O)c1 1194566132 IRLVKWBNZBOZLZ-ZIAGYGMSSA-N 304.350 -0.292 30 20 DBED Cc1ncc(CC(=O)N2CCCN(CC(=O)NCC#N)CC2)o1 1196156256 XHGVEISBUDSLLN-UHFFFAOYSA-N 319.365 -0.300 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)[C@@H](C)CC(N)=O)CC1 1196753473 MNPLZMBYSROGDT-LBPRGKRZSA-N 310.398 -0.666 30 20 DBED CC(C)C[C@H](C)C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1O 1197244027 JRIWWRXXBLXSGK-YNEHKIRRSA-N 310.398 -0.530 30 20 DBED C#CCN1CCCN(C(=O)CCNC(=O)c2cnccn2)CC1 1198136389 QALIBONFLCDMRJ-UHFFFAOYSA-N 315.377 -0.236 30 20 DBED N#CCNC[C@@H]1CN(C(=O)[C@H]2CCCN(C(N)=O)C2)CCCO1 1200911667 NYWQQCCKQQBOPP-QWHCGFSZSA-N 323.397 -0.492 30 20 DBED C#CCNC[C@@H]1CN(C(=O)[C@H]2CCC(=O)N(C)C2)CCCO1 1202155480 ZFAKJCAVSXODTG-UONOGXRCSA-N 307.394 -0.305 30 20 DBED C=C(C)CNC[C@@H]1CN(C(=O)C[C@H]2CC(=O)NC2=O)CCCO1 1202249679 CYAWLHCXOOGGCI-CHWSQXEVSA-N 323.393 -0.178 30 20 DBED C#CCNC(=O)CN[C@@H]1C[C@@H](NC(=O)CC(C)(C)O)C12CCC2 1202836117 WVCJLMKNRNRVRH-CHWSQXEVSA-N 321.421 -0.086 30 20 DBED C[C@H](C(=O)N1CCC(CNCC#N)CC1)N1C(=O)CCC1=O 1205415949 ROTVAVYHSLBXOU-LLVKDONJSA-N 306.366 -0.124 30 20 DBED CC(C)(C)C#CC(=O)N1CCC[C@H](NCC(=O)NC(N)=O)C1 1208010046 FGYQYKOGVXEYGQ-NSHDSACASA-N 308.382 -0.189 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2conc2C)[C@H](C)C1 1208472106 NWPXUDDCLWRLKU-ZWNOBZJWSA-N 304.350 -0.217 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)C1(C)CCOCC1 1209488861 SWXPHMBGERGWAJ-CHWSQXEVSA-N 322.409 -0.121 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@H](COC)OC)C1 1209544720 XJAFIGLGNLJOLE-OLZOCXBDSA-N 313.398 -0.469 30 20 DBED CCN(C)CCC(=O)N1CCC[C@H](NCC(=O)NCC#N)C1 1210481907 GSSYNVHIRWKFGT-ZDUSSCGKSA-N 309.414 -0.451 30 20 DBED CC#CCN1C[C@@H](NC(=O)CCCN2C(=O)CNC2=O)[C@H](C)C1 1210910301 NBPBXKYKOOAPEX-CHWSQXEVSA-N 320.393 -0.222 30 20 DBED COCC#CCN1C[C@@H](NC(=O)c2cnns2)[C@H](OC)C1 1211924293 BLALQFUFQYRLAF-GHMZBOCLSA-N 310.379 -0.383 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)C2[C@@H]3CCC[C@@H]23)[C@H](OC)C1 1212081884 YRMWIVRQSUSJFI-AAVRWANBSA-N 319.405 -0.403 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)[C@@H]2C[C@@H]3C[C@@H]3C2)[C@H](OC)C1 1213310738 RQLAAEOISGXWMU-GZBLMMOJSA-N 319.405 -0.403 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@H](CC(=C)C)NC(C)=O)[C@H](OC)C1 1213537500 KVTCFKBPVRQYSS-RRFJBIMHSA-N 307.394 -0.094 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)CS(=O)(=O)C(C)C 1213874415 STLAGGVVOCXWHK-GHMZBOCLSA-N 303.384 -0.851 30 20 DBED C=CCCCN1C[C@H](O)[C@H](NC(=O)C(=O)NCC(F)F)C1 1219924222 PHLSCPWKFHVLIF-ZJUUUORDSA-N 305.325 -0.505 30 20 DBED C=CCCCN1C[C@H](O)[C@H](NC(=O)[C@@H](C)NS(C)(=O)=O)C1 1220427626 LYQFOUTVKCLGOB-UTUOFQBUSA-N 319.427 -0.948 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)C(C)(C)NC(=O)NCC=C)C1 1221089327 CGJONLQSYMKYSF-OLZOCXBDSA-N 322.409 -0.565 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN([C@H](C)c2nncn2C)C[C@@H]1O 1221139605 GEFFYBCPBHBPIS-UPJWGTAASA-N 323.397 -0.370 30 20 DBED COCC#CCN1CC[C@@H]2CN(C(=O)[C@H]3COCCO3)[C@@H]2C1 1221286270 RJRVCUJRNATGHG-RBSFLKMASA-N 308.378 -0.416 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3cc(C)[nH]n3)[C@@H]2C1 1221324348 XQLXMAGHDFGWIS-TZMCWYRMSA-N 315.377 -0.386 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC(NC(=O)[C@H](C)COC)CC1 1226579356 LTYIKYCWGKKCCB-CHWSQXEVSA-N 309.410 -0.013 30 20 DBED C#CCN1CCS(=O)(=O)[C@H](CCNC(=O)c2cccnn2)C1 1230512359 OHIZAKLYERSCET-GFCCVEGCSA-N 322.390 -0.671 30 20 DBED N#CCN1CCC(CNC(=O)C[C@H]2SC(=N)NC2=O)CC1 1319136553 DLTWSRUKBUVPQY-SNVBAGLBSA-N 309.395 -0.105 30 20 DBED N#Cc1ccc(NC(=O)C(=O)NCCn2cnc(C#N)n2)cc1 1323788505 RUTVQOBXQGRDPD-UHFFFAOYSA-N 309.289 -0.224 30 20 DBED COCCn1cc(C(=O)N[C@H]2CCCN(O)C2=O)c(=O)cc1C 1326767826 MOMRXPBHBVGQCM-LBPRGKRZSA-N 323.349 -0.087 30 20 DBED C=C[C@H](CO)NC(=O)C(=O)Nc1ccccc1OCCC(N)=O 1327473987 YUVYVORQZIGBBT-SNVBAGLBSA-N 321.333 -0.458 30 20 DBED CN(Cc1cn(C)nn1)C(=O)C(=O)NCc1ccc(C#N)cc1 1327878957 UDCZFHIPEHIAGK-UHFFFAOYSA-N 312.333 -0.038 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N1CC[C@@H]2NC(=O)OC[C@H]2C1 1329625245 DIAJAIQPXHZSKX-VWYCJHECSA-N 311.338 -0.740 30 20 DBED O=S1(=O)CC[C@H](NN=Cc2cn(C[C@H]3CCCO3)nn2)C1 1329730773 HZGWIWWRYGDKND-CMPLNLGQSA-N 313.383 -0.432 30 20 DBED N#CCOc1cccc(CNC(=O)C(=O)N2C[C@@H]3C[C@H]2CN3)c1 1333940472 LTUIJDVVINFTPB-STQMWFEESA-N 314.345 -0.222 30 20 DBED CN(C(=O)CCN/C(O)=C1\N=CC=CC1=O)C1[C@@H]2CNC[C@H]12 1346347119 SMUVBNZOLFEVDW-BPNXXZLPSA-N 304.350 -0.421 30 20 DBED COC(=O)C1(C)CN(C(=O)CCn2cc(C#N)c(O)nc2=O)C1 1362587845 KUQSKRABKPKURF-UHFFFAOYSA-N 320.305 -0.768 30 20 DBED CNC(=O)[C@@H](CO)NS(=O)(=O)c1c(C)cc(F)cc1C#N 1365698768 MIDDCHKGJPZKDF-SNVBAGLBSA-N 315.326 -0.609 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]1CN(C)C(=O)CCn1cnnn1 1371636263 YAUBXHWJUAUPSC-WDEREUQCSA-N 305.342 -0.718 30 20 DBED C=C(Cl)CNC[C@@H](C)N(C)C(=O)CN1CCN(C)C(=O)C1 1374248529 WGOBGBWUYDGAPS-GFCCVEGCSA-N 316.833 -0.051 30 20 DBED COCC(=O)NCCN1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 1407421072 JXWSTZWUTNJFEH-UHFFFAOYSA-N 319.365 -0.593 30 20 DBED CN(C)S(=O)(=O)NCC(=O)Nc1nc2ccc(C#N)cc2[nH]1 1412399607 ADFKTVFJVFHXJF-UHFFFAOYSA-N 322.350 -0.231 30 20 DBED CCc1cc(CNC(=O)CCn2cc(C#N)c(O)nc2=O)n[nH]1 1412545767 REPVVUWHURMULB-UHFFFAOYSA-N 316.321 -0.187 30 20 DBED CCN1CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)C[C@H]1C 1412688860 QIGNJLFPSTXKOO-LLVKDONJSA-N 319.365 -0.237 30 20 DBED C[C@@H](CN(C)C(=O)CN(C)C(=O)C1CC1)NC(=O)[C@@H](C)C#N 1425108514 ZWGHIFHWKAJHCY-QWRGUYRKSA-N 308.382 -0.022 30 20 DBED CC(=O)NCC(=O)N[C@H]1C[C@@H](C)N(C(=O)c2cc(C#N)c[nH]2)C1 1425596044 SMCBAMNRVHSFDM-SKDRFNHKSA-N 317.349 -0.258 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]1CN(C)C(=O)C1(NC(N)=O)CC1 1428996840 PQBXTSIQYZITBP-UWVGGRQHSA-N 307.354 -0.594 30 20 DBED C=C(Cl)CNC[C@@H](O)CNC(=O)c1ccc2nnnn2c1 1439016483 ZMCWCTNDXVGXAX-SNVBAGLBSA-N 310.745 -0.443 30 20 DBED C[C@H](C#N)C(=O)N1CCC(N(CCO)CCn2cncn2)CC1 1440528666 JUKXFHPYACTQSD-CYBMUJFWSA-N 320.397 -0.277 30 20 DBED COCCN(CCNC(=O)[C@H]1CCCN1C)C(=O)[C@H](C)C#N 1444952488 DFTHNLALLLMBBE-CHWSQXEVSA-N 310.398 -0.169 30 20 DBED CN(CCNC(=O)[C@H]1CCC(=O)N1)C(=O)c1c[nH]c(C#N)c1 1448747016 YRDQHWMPZSQQQZ-LLVKDONJSA-N 303.322 -0.647 30 20 DBED CN(CCNC(=O)CO[C@@H]1CCOC1)C(=O)c1c[nH]c(C#N)c1 1448854604 XHFPERAETAEXML-CYBMUJFWSA-N 320.349 -0.120 30 20 DBED CCN1CCOC[C@@H]1C(=O)N(C)CCN(C)C(=O)[C@H](C)C#N 1452167787 XJJIJLKFGLQTHT-CHWSQXEVSA-N 310.398 -0.216 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](C)CCNC(=O)COCc1nncn1C 1455099013 XHCLJNYOLLOHOX-WDEREUQCSA-N 322.369 -0.498 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]1CNC(=O)CCCn1cncn1 1458816876 SHMCXRCMRKPMHE-NEPJUHHUSA-N 304.354 -0.065 30 20 DBED CN1CCN(CC2CN(S(=O)(=O)N(C)CCC#N)C2)CC1 1475508879 JSSYFINUBSUBMC-UHFFFAOYSA-N 315.443 -0.744 30 20 DBED CCc1cc(C(=O)NC[C@@]2(O)CCN(C(=O)[C@H](C)C#N)C2)n[nH]1 1537310293 YDUAQSGKGRELFV-BMIGLBTASA-N 319.365 -0.175 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)[C@@H](CC)N(C)C)C(C)(C)C1 1570907393 FXNWTGAPQRMCTR-ZIAGYGMSSA-N 322.453 -0.097 30 20 DBED C#CCOCCNS(=O)(=O)c1ccc(-c2nn[nH]n2)s1 1588363372 BGVQJZWWNARYMY-UHFFFAOYSA-N 313.364 -0.144 30 20 DBED C#CCCCCNC(=O)C(=O)N1CCC([C@@H](O)C(=O)O)CC1 1588442640 VMRAAMIDHCNLGP-GFCCVEGCSA-N 310.350 -0.410 30 20 DBED C[C@@H]1C[C@H](C(=O)O)CN(C(=O)C(=O)N2CCO[C@@H](C#N)C2)C1 1589266354 RKVCDSXMLJSHAW-VWYCJHECSA-N 309.322 -0.693 30 20 DBED CC1CCN(C(=O)Cn2c(N)nc(C#N)c2-c2nn[nH]n2)CC1 1590263035 DMHGFSLTFNCVIE-UHFFFAOYSA-N 315.341 -0.224 30 20 DBED COCCNC(=O)CNc1c(C#N)cccc1-c1nn[nH]n1 1591431543 ABBXZNZKNRKHKJ-UHFFFAOYSA-N 301.310 -0.087 30 20 DBED N#CCNC[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCO1 1592678830 SMNWVRUDIYUQKV-SNVBAGLBSA-N 316.325 -0.851 30 20 DBED CC(C)[C@H](C#N)N1CCN([C@H]2CCN(CC(=O)O)C2=O)CC1 1602961203 QZXFJGALRZXGAR-STQMWFEESA-N 308.382 -0.162 30 20 DBED N#CC1(C[C@H](O)CN2CCN([C@@]3(C(=O)O)CCOC3)CC2)CC1 1608175905 KIUBHIXLZNXYGM-BBRMVZONSA-N 323.393 -0.098 30 20 DBED N#C[C@@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NCc1cnn[nH]1 1609492829 BOOGCCTUQOCTRB-LLVKDONJSA-N 323.320 -0.017 30 20 DBED CCOCCNC(=O)CN1CC[C@@H](NC(=O)C#CC(C)C)C1 1713082231 HECNPOHSPACTRB-CQSZACIVSA-N 309.410 -0.011 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC[C@H](NC(=O)Cn2cccn2)C1 1713816507 DDPFREHIMLGDMM-OLZOCXBDSA-N 305.382 -0.236 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H](CN(C)CC(=O)NCC#N)C1 1752503409 JLZWMIVUBOCESJ-CHWSQXEVSA-N 305.382 -0.044 30 20 DBED CCn1cccc1C(=O)N[C@H]1C[C@@H](NCC(=O)NCC#N)C1 1752774378 VPJHDXWPLNJUFQ-TXEJJXNPSA-N 303.366 -0.002 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC[C@@H](C(=O)NCCNCC#N)C1 1752926620 VCOHNVAYNUPRGD-UONOGXRCSA-N 320.393 -0.507 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC[C@H]1CNC(=O)c1cnsn1 1753096922 ADIXTKVPLLWAGC-QWRGUYRKSA-N 321.406 -0.130 30 20 DBED C#CCNCC[C@@H]1CCCN(C(=O)CNS(=O)(=O)CC)C1 1753547625 FRIJBAHERBSIDB-ZDUSSCGKSA-N 315.439 -0.223 30 20 DBED C#CCNC(=O)CNC[C@@H](C)CNC(=O)c1c(C)cnn1C 1753639886 OAJNKRVYGSAVDR-LLVKDONJSA-N 305.382 -0.567 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H]1CN(Cc2cnn(C)n2)CCO1 1753648242 BXKMPOXDFFRKKM-OCCSQVGLSA-N 321.381 -0.830 30 20 DBED CNC(=O)NCC(=O)N1CC[C@H](NCC#CCOC)[C@H](C)C1 1753754117 FPCMUGLFYDADQW-OLZOCXBDSA-N 310.398 -0.608 30 20 DBED C=CCNC(=O)NC(=O)CNC[C@@H](C)NC(=O)[C@@]12COC[C@@H]1C2 1754225618 DFFCKEDYCYIZTO-ZETOZRRWSA-N 324.381 -0.871 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CCN1CC(=O)NC[C@@H]1CCOC1 1754483556 JVKOTPRYZHCYHO-LSDHHAIUSA-N 321.421 -0.011 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@H]1CNC(=O)C1(COC)CC1 1754488904 MFRAQAHXNMKHLU-STQMWFEESA-N 307.394 -0.259 30 20 DBED C=CCCOCC(=O)N[C@@]1(C)CCN([C@H]2CCC(=O)NC2=O)C1 1754684974 BKQGZCKMMGZULL-LRDDRELGSA-N 323.393 -0.035 30 20 DBED CC(C)C[C@@]1(C(=O)NC[C@@]2(O)CCN(CC#N)C2)CCNC1=O 1754754882 RGVAAVYSNSLFJI-HOTGVXAUSA-N 322.409 -0.385 30 20 DBED C=CCC[C@@H](C)N1CCC[C@@](CO)(NC(=O)Cn2ncnn2)C1 1754856794 RJPCLOXXSJCTKE-UKRRQHHQSA-N 322.413 -0.029 30 20 DBED C#CCCN1CCC[C@@](CO)(NC(=O)CCn2cnnn2)C1 1754859155 QNRLFVLTTRDESL-CQSZACIVSA-N 306.370 -0.970 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@H]1CN(C(=O)c2cc[nH]c2)CCO1 1755000716 PMXCLTJDADWUQD-OCCSQVGLSA-N 318.377 -0.417 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)[C@H](NC(C)=O)C(C)C)CO2)C1 1755065011 CACVWOGMRZREJQ-ZIAGYGMSSA-N 307.394 -0.260 30 20 DBED C#CCNC(=O)CN[C@H]1CN(C(=O)c2cn(CC)cn2)C[C@@H]1C 1755118620 JKOYQJQJDHRLCI-STQMWFEESA-N 317.393 -0.298 30 20 DBED CC(=O)N1CC[C@@](C)(C(=O)N2CCC(O)(CNCC#N)CC2)C1 1755155243 WGZGAOVGOJFSJM-OAHLLOKOSA-N 322.409 -0.288 30 20 DBED C#CCNC(=O)CN[C@H](C)[C@@H](C)NC(=O)CN1CCCCC1=O 1755242908 PTDMWTBRSUXZPJ-CHWSQXEVSA-N 322.409 -0.769 30 20 DBED C[C@@H](CCCNCC(=O)NCC#N)NC(=O)c1cncnc1 1755494438 SXPJNULGOUBAOV-NSHDSACASA-N 304.354 -0.396 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H](CO)CNC(=O)c1c(C)ncn1C 1755632572 VGDFEZFPDOTYBB-VXGBXAGGSA-N 323.397 -0.900 30 20 DBED Cc1cccnc1C(=O)N(C)C[C@H](O)CNCC(=O)NCC#N 1755777995 PQDIYALLMVFAHC-GFCCVEGCSA-N 319.365 -0.948 30 20 DBED C#CCOCCC(=O)N(C)C1CC(N[C@@H]2CCC(=O)NC2=O)C1 1755856482 AKUNUKLEFXDTIA-WXRRBKDZSA-N 321.377 -0.590 30 20 DBED C[C@@H](CNC(=O)C1CS(=O)(=O)C1)N(C)C(=O)C#CC1CC1 1756029920 PYQDMQVEBKTKTH-JTQLQIEISA-N 312.391 -0.593 30 20 DBED C=C[C@](C)(CC)C(=O)N[C@H](CO)CNC(=O)c1c[nH]c(=O)cn1 1756544617 BOLJCPPJUWCPGN-ZUZCIYMTSA-N 322.365 -0.421 30 20 DBED C=C[C@H](CC)CC(=O)N1CCCO[C@H](CNC(=O)C(N)=O)C1 1756842790 HFNJIYPWGTZOQW-VXGBXAGGSA-N 311.382 -0.192 30 20 DBED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)COCC)CCO2 1834989596 XGSAPSKCGOQWQD-OAHLLOKOSA-N 310.350 -0.888 30 20 DBED C#CCCC(=O)N1CC2(CCCN2C(=O)CNC(=O)OC)C1 1846513204 NDNWGZPSWPXHEH-UHFFFAOYSA-N 307.350 -0.041 30 20 DBED CCn1c(N)c(C(=O)CN2CCC(C#N)CC2)c(=O)[nH]c1=O 57906771 NYBFJWNOCZAECF-UHFFFAOYSA-N 305.338 -0.443 30 20 DBED N#CC1(C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)CCC1 134775418 ZFQVFLXNAXFBCI-UHFFFAOYSA-N 303.326 -0.962 30 20 DBED CCOC(=O)C[C@@H](C)N(C)c1c(C#N)c(=O)n(C)c(=O)n1C 182093540 CHNXUNXEGLULLV-SECBINFHSA-N 308.338 -0.266 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)OCC(C)C)c1=O 182825340 DXGFKQKSLCXJEA-UHFFFAOYSA-N 323.349 -0.257 30 20 DBED C[C@H](O)C(=O)N1CCN(C(=O)COc2ccccc2C#N)CC1 270833308 GNQRBUCJZIKDIX-LBPRGKRZSA-N 317.345 -0.011 30 20 DBED COC[C@](C)(NS(=O)(=O)c1cccnc1C#N)C(=O)OC 277223131 RZJBDLZQGDEVQO-LBPRGKRZSA-N 313.335 -0.190 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@@H](CC)C(=O)OC)CC1 277305940 SMXYRAFGMUOFEE-CYBMUJFWSA-N 323.393 -0.531 30 20 DBED C=CCCOCCNC(=O)C(=O)NCCCOCCOC 284668962 LGEKERHEDDQDLH-UHFFFAOYSA-N 302.371 -0.135 30 20 DBED N#Cc1cncc(S(=O)(=O)NCCCN2C(=O)CCC2=O)c1 289635565 CSGADJIQRXEEMN-UHFFFAOYSA-N 322.346 -0.229 30 20 DBED COC[C@@H](C)N/C(N)=N/CCNS(=O)(=O)c1ccccc1 303786838 RSADMCNTDQSDMC-LLVKDONJSA-N 314.411 -0.096 30 20 DBED C#CC[C@@H](NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)C(=O)O 316538005 BVHJJZNREYKUTG-SECBINFHSA-N 324.314 -0.114 30 20 DBED CN1CCO[C@@H](CN/C(O)=N/CCN2CCSCC2)C1 329434942 LIMFRNLDYQLXRC-LBPRGKRZSA-N 302.444 -0.131 30 20 DBED CCN1CCN(/C(O)=N/[C@@H](C)CN2CCN(C)CC2)CC1=O 329562019 GJILHMWURNCOSU-ZDUSSCGKSA-N 311.430 -0.300 30 20 DBED NS(=O)(=O)CCN/C(O)=N/CCc1cn2c(n1)CCCC2 330394884 JIXATMUBBFTFLK-UHFFFAOYSA-N 315.399 -0.446 30 20 DBED CC/N=C(/O)NC(=O)[C@H](C)N1CCC[C@H](O)[C@@H]1C(=O)OC 331282380 DAYFPEZSVJBKKT-LPEHRKFASA-N 301.343 -0.577 30 20 DBED CN1C(=O)N[C@@H]2CN(S(=O)(=O)c3ccc(C#N)o3)CC[C@@H]21 331891597 OKFMFXOOZGJFQP-ZJUUUORDSA-N 310.335 -0.062 30 20 DBED CN(C)CC(=O)N1CCN(CC(=O)NC2(C#N)CCC2)CC1 332488760 RJBXXMPBWYIATG-UHFFFAOYSA-N 307.398 -0.745 30 20 DBED N#CCCN(CCN1CCOCC1)C(=O)CSCC(N)=O 343039772 KAFFDGDGIZAJOE-UHFFFAOYSA-N 314.411 -0.721 30 20 DBED CN(CCS(=O)(=O)c1ccc(C#N)cn1)Cc1nncn1C 343972738 OSVWXCWBHUUWET-UHFFFAOYSA-N 320.378 -0.013 30 20 DBED C=CCOC[C@H]1NC(=O)N(CCNC(=O)c2cnccn2)C1=O 348381172 HEELJXDACFEUTJ-LLVKDONJSA-N 319.321 -0.671 30 20 DBED N#Cc1ccc(NC(=O)C(=O)N2CCN(C(=O)CO)CC2)cc1 349204515 WXYQORPDTDNJJV-UHFFFAOYSA-N 316.317 -0.840 30 20 DBED C=CCOC[C@@H](NS(=O)(=O)c1c(C)cnn1C)C(=O)OC 352063943 RNIRBUGFEQCLBG-SNVBAGLBSA-N 317.367 -0.249 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2C[C@H]3OCCC[C@H]23)C1=O 373677145 ULHSMVQDLYGNHD-GMTAPVOTSA-N 321.333 -0.353 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 374109621 VWOYJNRODWAVNF-BONVTDFDSA-N 306.366 -0.566 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1CC[C@@H](CC(N)=O)C1 377364787 YCPLMKGZOMNTOP-NSHDSACASA-N 318.399 -0.709 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N(C)[C@@H]1CCS(=O)(=O)C1 407956789 WUOVLHZCJQWQEO-GHMZBOCLSA-N 323.440 -0.168 30 20 DBED C[C@H](CCN)NC(=O)C(=O)NCCOc1ccc(C#N)cc1 419463108 KRMCMINNBSXBBN-LLVKDONJSA-N 304.350 -0.093 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)C(=O)c2ccccc2)CC1 491278227 SAWUDPWDWJSLRJ-UHFFFAOYSA-N 313.357 -0.237 30 20 DBED COC(=O)N(C)CC(=O)N(C)CCCc1[nH]nc(N)c1C#N 494043500 GWJMCJNUSNADSL-UHFFFAOYSA-N 308.342 -0.047 30 20 DBED CCOC(=O)N1CCN(S(=O)(=O)N2CC(C)(C#N)C2)CC1 497156316 WIFFXIYJYZARFF-UHFFFAOYSA-N 316.383 -0.149 30 20 DBED CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N 533095140 LJYQMEAANYAMHV-SSDOTTSWSA-N 312.307 -0.121 30 20 DBED CC(C)[C@@H](C#N)N1CCN(C(=O)CN(C)[C@H]2CCNC2=O)CC1 538131685 CEKCUYSSRXZLQM-UONOGXRCSA-N 321.425 -0.501 30 20 DBED CCO[C@@H]1C[C@H]1NC(=O)C(=O)Nc1cc(C)n(CCC#N)n1 567117272 MVBDCWYCDMVWOQ-GHMZBOCLSA-N 305.338 0.337 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N[C@H](CCCC(=O)O)C(=O)O 583087704 FHLJBBBGJBVZQC-RKDXNWHRSA-N 321.355 -0.380 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)NCC[C@]1(O)CCCOC1 593660597 LOMMKGHWARYKAP-VXGBXAGGSA-N 305.400 -0.156 30 20 DBED N#CCC1(CNC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)O)C2)CC1 595276590 QMTNQOWKWDDRGL-MEBBXXQBSA-N 321.333 -0.644 30 20 DBED C[C@@H](C(=O)N(C)CCCc1[nH]nc(N)c1C#N)[C@@H]1CCC(=O)N1 599732157 LHUOBIMAYFDOSQ-KOLCDFICSA-N 318.381 0.169 30 20 DBED C[C@H](CC#N)NCC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 602863537 NVUXYKLXEOGYFC-CYBMUJFWSA-N 323.441 -0.063 30 20 DBED Cn1cc(C#N)c(NC(=O)N2CCC[C@@H](S(N)(=O)=O)C2)n1 612752088 ZAINMHJLJAEESN-SECBINFHSA-N 312.355 -0.423 30 20 DBED CC#CCNC(=O)C1(C(=O)NCC#CC)C[C@@H]1S(C)(=O)=O 632196366 WZNHRYMMSVGCFS-NSHDSACASA-N 310.375 -0.931 30 20 DBED CC#CC[C@H](CO)NC(=O)[C@](C)(O)Cn1c(C)cccc1=O 649181918 LLILXRBBKONADI-CZUORRHYSA-N 306.362 -0.202 30 20 DBED CC#CC[C@@H](CO)NC(=O)c1cnc2nc(O)nc(O)c2c1 649190334 YHQDHTKAXFAFQZ-VIFPVBQESA-N 302.290 -0.060 30 20 DBED C#CCCCOC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 727040732 GVRDQYHMGPPZPO-NEPJUHHUSA-N 313.375 -0.021 30 20 DBED O=C(O)CNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 740483559 RWXHWIZZLOBETN-UHFFFAOYSA-N 311.319 -0.684 30 20 DBED N#Cc1cccc(OCC(=O)NC[C@@H]2CC(C(N)=O)=NO2)c1 793907273 OPGBPJMWFGZXIU-NSHDSACASA-N 302.290 -0.317 30 20 DBED C#CCC[C@H](O)CNc1cc(N2CCN(C)C(=O)C2)ncn1 798421933 XQEAULGZRBLVLP-LBPRGKRZSA-N 303.366 -0.059 30 20 DBED C#CCC[C@H](O)CNS(=O)(=O)c1cnn(CC(=O)OC)c1 798486306 HELOIJAWDYGGQI-JTQLQIEISA-N 315.351 -0.891 30 20 DBED C#C[C@H](NC(=O)C(=O)NCCCc1cnn(C)c1)[C@@H]1CCCO1 804377288 YNGSHXSQKIRBQK-KBPBESRZSA-N 318.377 -0.234 30 20 DBED Cc1cc(NC(=O)C(=O)N2CC[C@@H](C(=O)O)C2)nn1CCC#N 820986438 UBEORDOXYZLQIG-SNVBAGLBSA-N 319.321 -0.023 30 20 DBED N#C[C@H]1CNC[C@@H]1NC(=O)CCc1ccc(S(N)(=O)=O)cc1 834511114 ILBQAPLLUNEQSF-AAEUAGOBSA-N 322.390 -0.506 30 20 DBED C#CCOc1ccc(NC(=O)C(=O)N2CC(=O)N[C@@H](C)C2)cc1 835807528 YNQSYHSZWUKKIW-NSHDSACASA-N 315.329 -0.016 30 20 DBED C#CC[C@@H](NC(=O)Cn1nc2ccccn2c1=O)C(=O)OC 837935124 XKNMYKTUIGKXMH-SNVBAGLBSA-N 302.290 -0.823 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCc1cnc(COC)nc1N 848106049 BONGMWIQOXPIAS-LBPRGKRZSA-N 303.366 -0.081 30 20 DBED Cc1nn(CC(=O)O[C@H](C)C(=O)N(C)CCC#N)c(=O)n1C 848847025 SOKLAMGNQFKHBZ-SECBINFHSA-N 309.326 -0.806 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCCC[C@H]1CNS(N)(=O)=O 854839475 IIISLOVIUOTAPH-QWRGUYRKSA-N 303.384 -0.801 30 20 DBED N#CCCNC(=O)CN1CCN(S(=O)(=O)C2CC2)CC1 859482323 BSSIDHFESZHRFL-UHFFFAOYSA-N 300.384 -0.874 30 20 DBED C#CCN1CCC[C@@H](NC(=O)N[C@H](C)CS(C)(=O)=O)C1 884207207 OPARSANDEJABOO-VXGBXAGGSA-N 301.412 -0.184 30 20 DBED C=CCC1(O)CCN(C(=O)CN2CCN(CC)C(=O)C2=O)CC1 899586925 LJSDZDBLAZURMW-UHFFFAOYSA-N 323.393 -0.393 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@H](C)[C@H]2CCCO2)CC1 906556962 SDEJKNCJHBASPK-ZIAGYGMSSA-N 307.394 -0.305 30 20 DBED COc1cc(C#N)ccc1C(=O)NCC(=O)N1CCNCC1 911701480 CULSIJNYRZQSSK-UHFFFAOYSA-N 302.334 -0.272 30 20 DBED CC(=O)N1CCN(C(=O)[C@H](C)OC(=O)CSCC#N)CC1 915386016 ASUCRQJAAYXMIA-JTQLQIEISA-N 313.379 -0.134 30 20 DBED C#CCN(C(=O)NCCNS(=O)(=O)NC(C)C)C(C)C 922192928 APSZKLJLKMZPTF-UHFFFAOYSA-N 304.416 -0.128 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)C(N)=O)[C@H](C)C2)nc1 945428562 KYYGDMKCSWGDJY-PWSUYJOCSA-N 314.345 -0.485 30 20 DBED C=CCN1CC[C@H](N2CCC[C@H](N(C)C(=O)C(N)=O)CC2)C1=O 948736730 BTEFTBNSKYQZHL-STQMWFEESA-N 322.409 -0.429 30 20 DBED C#CCCN1CCC2(CC1)CN(C(=O)[C@H]1CCC(=O)N1)CCO2 949051242 BKXAPDLKILCSNA-CQSZACIVSA-N 319.405 -0.018 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)[C@@H]1CC[C@@H]1C(N)=O)CCO2 949153677 FOPFJMFRQHNDPK-UONOGXRCSA-N 319.405 -0.176 30 20 DBED CN1C(=O)CC[C@H]1C(=O)N1CCOC2(CCN(CC#N)CC2)C1 949161676 ALEQZNIZMCPWRJ-ZDUSSCGKSA-N 320.393 -0.176 30 20 DBED C#CCN1CCOC2(CCN(C(=O)C3(C(N)=O)CC3)CC2)C1 949454366 JBLKMNUYVXHFNY-UHFFFAOYSA-N 305.378 -0.422 30 20 DBED CCN(C(=O)[C@@H]1CN2CC3CC2(CO1)C3)C1CN(CC#N)C1 950923655 GRRDTEARJXXYOI-UGWHAMFMSA-N 304.394 -0.094 30 20 DBED C=C(Cl)CN1CCN(C(=O)CN2CC(=O)NC2=O)CC1 951793042 HWEMFKXSAYYBIW-UHFFFAOYSA-N 300.746 -0.565 30 20 DBED C=CCOc1cccnc1C(=O)NC[C@@H]1CCN1C(=O)C(N)=O 952192375 BQFVTUVPTGWDFF-JTQLQIEISA-N 318.333 -0.538 30 20 DBED C=CCN1CCN(C(=O)c2cn(CC(=O)N(C)C)nn2)CC1 957778393 PKOVZYSJRLSEOD-UHFFFAOYSA-N 306.370 -0.690 30 20 DBED Cn1cnc2cncc(C(=O)NC[C@H]3CN(CC#N)C[C@H]3O)c21 958151062 DQOPLJFVWYDBLF-GXFFZTMASA-N 314.349 -0.486 30 20 DBED N#CCN1C[C@@H](O)[C@H](CNC(=O)c2cc3n(n2)CCCO3)C1 958252692 CEUZLCRTZMFSOT-ZYHUDNBSSA-N 305.338 -0.788 30 20 DBED C=CCCN1C[C@@H](O)[C@@H](CNC(=O)c2ccc(=O)n(C)n2)C1 958650329 VUNNVEPNJPEMGU-WCQYABFASA-N 306.366 -0.621 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cccc3nnn(C)c23)C1 958763815 WKFLBBJFHORTKB-SMDDNHRTSA-N 313.361 -0.376 30 20 DBED C#Cc1cncc(C(=O)N[C@H](C)[C@H]2CCN(C(=O)C(N)=O)C2)c1 959262706 XKHPWJJLMRYPFT-PWSUYJOCSA-N 314.345 -0.485 30 20 DBED N#Cc1ccccc1CN1C[C@@H]2C(NC(=O)Cn3ncnn3)[C@H]2C1 959888721 AICKQWYIGLWPDV-KBPBESRZSA-N 323.360 -0.209 30 20 DBED Cc1cc(C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2O)on1 961504603 WDUFCWAFSXHEGI-NEPJUHHUSA-N 303.318 -0.302 30 20 DBED N#CCN1C[C@H]2[C@H](NC(=O)[C@@H](C3CC3)N3CCOCC3)[C@H]2C1 962695078 ZHFRSIIAERRBOI-CBBWQLFWSA-N 304.394 -0.333 30 20 DBED C#CCN1CCC(C(=O)NC2[C@@H]3CN([C@H](C)C(N)=O)C[C@@H]23)CC1 962777405 OLJJGUCYNQBBMI-MRVWCRGKSA-N 318.421 -0.748 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H](NC(=O)Cn2nccn2)CC1 964929752 HMXZYKYKRFCWRR-RYUDHWBXSA-N 304.354 -0.065 30 20 DBED C[C@H](C#N)C(=O)N1CC2(C[C@@H](NC(=O)c3ccncn3)CO2)C1 965783753 WMAQPSKPIPCZAW-GHMZBOCLSA-N 315.333 -0.264 30 20 DBED Cc1nonc1C(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 968486628 PSIIXSZXTLXBEU-MNOVXSKESA-N 304.306 -0.907 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@@H](NCc2cnnn2C)C1 968954803 SANUXTSEWWXFMU-HIFRSBDPSA-N 316.409 -0.397 30 20 DBED C#CCCN1CC([C@@H](C)NC(=O)[C@H]2CC(=O)N(CCOC)C2)C1 969790255 VORAVLOGGKCUIY-KGLIPLIRSA-N 321.421 -0.059 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H](C)C1CN(CC(=O)N(C)C)C1 969865032 HRYQAJMLZCOKGX-HIFRSBDPSA-N 320.437 -0.391 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)CN3CCCC3=O)[C@@H]2C1 971259361 UFYHDBJYRNWNSL-JHJVBQTASA-N 318.377 -0.172 30 20 DBED N#CCN1CCO[C@@]2(CCN(C(=O)[C@H]3CCCNC3=O)C2)C1 972420410 URMMKEUCTICILL-WFASDCNBSA-N 306.366 -0.661 30 20 DBED C=CCn1cccc1C(=O)N1CC[C@@H]2CN(C(=O)C(N)=O)[C@@H]2C1 974959837 JKZHKMLFWXJPIU-DGCLKSJQSA-N 316.361 -0.168 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)C3(C(N)=O)CC3)C[C@H]21 974968732 DXGREDRXCZNJQM-GMTAPVOTSA-N 304.350 -0.529 30 20 DBED N#CCN1C[C@H]2[C@H](CNC(=O)c3cn([C@H]4CCOC4)nn3)[C@H]2C1 978976044 XMRCWOPVYKGGQX-ZDEQEGDKSA-N 316.365 -0.329 30 20 DBED C#CCCN1CCCC2(C1)CN(C(=O)c1nnc(O)nc1O)C2 981871878 GQHLGYSJGPELAJ-UHFFFAOYSA-N 317.349 -0.156 30 20 DBED CN(C[C@H]1CCN(C(=O)CC(N)=O)C1)C(=O)c1ccc(C#N)[nH]1 987844842 BYKLKEYILOQHPQ-SNVBAGLBSA-N 317.349 -0.318 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2CCCO2)C1 990168584 VGEXKWJMELTPRN-UONOGXRCSA-N 305.378 -0.410 30 20 DBED N#Cc1ccc(C(=O)NC2CN(C(=O)c3cnnc(O)c3)C2)[nH]1 990892889 NMKDCMVWVLKUAW-UHFFFAOYSA-N 312.289 -0.364 30 20 DBED N#CCN1CC[C@H](n2cc(CNC(=O)c3nc[nH]n3)nn2)C1 1000030663 RWMWIAPDBNUGCK-JTQLQIEISA-N 301.314 -0.903 30 20 DBED C=CCCn1cc(C(=O)NCC2CCN(CC(N)=O)CC2)nn1 1001919798 DJKJXZDKFMMAFE-UHFFFAOYSA-N 320.397 -0.219 30 20 DBED C#Cc1ccc(C(=O)N2CC(CNC(=O)c3cnn[nH]3)C2)cn1 1003113603 IQPCHULRJKFPLL-UHFFFAOYSA-N 310.317 -0.317 30 20 DBED O=C1N[C@@H](C(=O)N2C[C@H]3CC[C@H]2CN3C(=O)C#CC2CC2)CO1 1007294987 URIRGXVGVYJGJK-FRRDWIJNSA-N 317.345 -0.290 30 20 DBED Cc1cc(C)n(CC(=O)N[C@@H]2CCCN(CC#N)C2)c(=O)n1 1008989668 UWSVDWRKIXWQQH-CYBMUJFWSA-N 303.366 -0.036 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCCN(C(=O)c3nnn(C)n3)C2)C1 1010835067 FVVZJGIYYQALKX-SNVBAGLBSA-N 317.353 -0.566 30 20 DBED Cc1nnc(CC(=O)NC2[C@@H]3CN(C(=O)[C@@H](C)C#N)C[C@@H]23)o1 1013045011 NAOGONMYZSJPHC-FXBDTBDDSA-N 303.322 -0.347 30 20 DBED Cn1nnc(CN[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)n1 1018738587 SOLMYMQSLPNFNI-JTQLQIEISA-N 300.326 -0.586 30 20 DBED C[C@H]1[C@@H](NC(=O)c2nccnc2N)CCN1C(=O)[C@H](C)C#N 1020534238 DRGYRJISTPXMNC-UTLUCORTSA-N 302.338 -0.062 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)[C@@H]2CCCN2C(N)=O)[C@@H]1C 1020537396 SOLXPIOLVGOAFZ-BJDJZHNGSA-N 321.381 -0.205 30 20 DBED N#Cc1cc(C(=O)N2CC[C@H]3CN(C(=O)C(N)=O)C[C@H]32)c[nH]1 1021428596 SDEPRJVIGHFBRQ-GZMMTYOYSA-N 301.306 -0.955 30 20 DBED C=CCN1CCC[C@H]1CNC(=O)[C@@H]1CCN(C)S1(=O)=O 1028196188 DNDIGYGUOQICRS-RYUDHWBXSA-N 301.412 -0.213 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2CCN([C@H](C)C(N)=O)C2)cn1 1028938473 QARBVZAWEVLWBB-NEPJUHHUSA-N 300.362 -0.012 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)c3ccnnc3)C2)C1=O 1031004898 DIHKUHKDCKTCNS-ZDUSSCGKSA-N 301.350 -0.323 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NCC1CN(Cc2nnn(C)n2)C1 1031680225 XAECREZXZHOTDI-OLZOCXBDSA-N 320.397 -0.261 30 20 DBED C=CCN1CC[C@@H](NCC[C@@H]2CCCN(C(=O)C(N)=O)C2)C1=O 1034559273 OYDKEOVDTICHRK-QWHCGFSZSA-N 322.409 -0.523 30 20 DBED C=C(C)CN[C@H]1CCN(C(=O)CN2CCNC(=O)C2)C[C@H]1C 1036142343 KKWRKOQKYPDFKF-KGLIPLIRSA-N 308.426 -0.179 30 20 DBED C=CCN[C@H]1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)C[C@@H]1C 1036204029 QNRUCEKWVAUYDP-AAEUAGOBSA-N 320.393 -0.290 30 20 DBED CC(C)(O)CC(=O)NC[C@]1(O)CCN(C(=O)C#CC2CC2)C1 1039588511 HAEDTBZDZOEXOS-MRXNPFEDSA-N 308.378 -0.360 30 20 DBED C#CCCCC(=O)N1CC[C@@](O)(CNC(=O)c2ncc[nH]2)C1 1039660630 ZYCUGFBBDFVNBI-OAHLLOKOSA-N 304.350 -0.094 30 20 DBED O=C(C#CC1CC1)NC[C@]1(O)CCN(C(=O)CC2(O)CCC2)C1 1039680232 AVEMYONOCCBEGK-QGZVFWFLSA-N 320.389 -0.216 30 20 DBED C#CCCCC(=O)N1CC[C@@](O)(CNC(=O)[C@H]2CCOC2)C1 1040049151 KLAUTECYAZAHAJ-XJKSGUPXSA-N 308.378 -0.094 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC(O)(CNC(=O)C2CC2)C1 1041093203 APBBKPAHWZPIMH-CYBMUJFWSA-N 323.393 -0.443 30 20 DBED C#CCN1CC[C@]2(CCN(C(=O)CC3CS(=O)(=O)C3)C2)C1 1041420829 FCXVCGIELHJWIX-HNNXBMFYSA-N 310.419 -0.021 30 20 DBED C#CCNC(=O)CC(=O)NCC1(O)CN(C(=O)/C=C(/C)CC)C1 1042672044 FTJAKPGOIGSMMT-GHXNOFRVSA-N 321.377 -0.828 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(O)CN(C(=O)c2ccncn2)C1 1042806621 ILHSSOQDRJWTGS-CQSZACIVSA-N 320.349 -0.893 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)c2cncn2C)C1 1044479434 ZSSHJJCRWVCQRO-UHFFFAOYSA-N 306.366 -0.065 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(c2ncccn2)C[C@@H]1O 1044742619 HRBCPVNBSPIWIE-RDBSUJKOSA-N 315.377 -0.760 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)[C@@]2(C)CCCOC2)C1 1045362187 KCZUKRZIVQCGJJ-RISCZKNCSA-N 309.366 -0.348 30 20 DBED C=CCCCC(=O)NCC1(O)CN(C(=O)Cn2cnnc2O)C1 1045451493 SGGAIDRUWKXOFP-UHFFFAOYSA-N 323.353 -0.971 30 20 DBED N#CCN1CCC2(CC1)CO[C@@H](CNC(=O)[C@@H]1COCCO1)C2 1045660279 INGUKPHPULZZGL-KGLIPLIRSA-N 323.393 -0.087 30 20 DBED N#CCN1CCC2(CC1)CO[C@@H](CNC(=O)[C@H]1COC(=O)N1)C2 1045669983 KLQOWECXOQCCAA-VXGBXAGGSA-N 322.365 -0.394 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)C(=O)N2CC[C@@H](C)C2)C1 1046887551 NPWHAFBOPQTKDE-GFCCVEGCSA-N 323.393 -0.490 30 20 DBED CN(C(=O)c1cn(C(C)(C)C)nn1)[C@H]1CN(CC#N)C[C@@H]1O 1047405839 XRESJGYTKQCVLD-RYUDHWBXSA-N 306.370 -0.326 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C(N)=O)o2)C1 1047451666 KZUUKKXVKJYPGC-QWRGUYRKSA-N 305.334 -0.481 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H](O)C(C)C)C1 1048785434 LTYWJCNLDBUJIL-KCQAQPDRSA-N 310.394 -0.307 30 20 DBED C=CCO[C@H](C)C(=O)N(C)[C@H]1CN(C(=O)c2cc[nH]n2)C[C@@H]1O 1049010636 DZZHVCLMVVOMCQ-WXHSDQCUSA-N 322.365 -0.356 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)c2cscn2)C[C@@H]1O 1049389492 YFOSRJAMZHSZBU-LSJOCFKGSA-N 308.363 -0.054 30 20 DBED C#CCCN1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1c(O)nnc1O 1049866604 IJCUMOVEFLPSEK-NWDGAFQWSA-N 319.365 -0.222 30 20 DBED C#CCN1C[C@@H]2CCCN(C(=O)c3cn(C)c(=O)cn3)[C@@H]2C1 1050100731 POMMRPNQYCCIBS-GXTWGEPZSA-N 300.362 -0.050 30 20 DBED C#CCOCCC(=O)N1CC[C@@H]([C@@H](C)NC(=O)CC(N)=O)C1 1050729236 PENBXKARIZSWLY-VXGBXAGGSA-N 309.366 -0.745 30 20 DBED C[C@@H]1[C@@H](NC(=O)[C@@H]2CCNC2=O)CCN1c1ccnc(C#N)n1 1050850091 RTHWHHUTXDVHCU-MXWKQRLJSA-N 314.349 -0.432 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)c1cnc2[nH]c(O)nc2c1 1050991402 WVGIDKFKBDBHCM-NSHDSACASA-N 315.333 -0.273 30 20 DBED N#CCN1CCOC[C@H]1CNC(=O)c1ccc2nnc(O)n2c1 1051162873 YPMHWNDISFHYRS-LLVKDONJSA-N 316.321 -0.611 30 20 DBED N#Cc1ccc(C(=O)N2CCO[C@@H](CNCc3cnon3)C2)[nH]1 1051554185 APOAUGHREVFJIZ-LBPRGKRZSA-N 316.321 -0.100 30 20 DBED N#Cc1cnc(NC2CC(CNC(=O)[C@H]3COC(=O)N3)C2)cn1 1051926577 QSSXVKDLPYRGGX-NWGYLPEXSA-N 316.321 -0.237 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)[C@@H]1CCN(C(C)=O)C1)CCO2 1053520708 YPUDBBXUYIWQIB-OAHLLOKOSA-N 319.405 -0.209 30 20 DBED CC#CCN1CC2(CC[C@H](CNC(=O)[C@@H]3CCNC3=O)O2)C1 1053643000 RNKVRCMQHZNCDS-CHWSQXEVSA-N 305.378 -0.505 30 20 DBED C=CCCN1CC2(CC[C@H](CNC(=O)c3nnn(C)n3)O2)C1 1053646954 ITJKXKOBQDPPPW-LLVKDONJSA-N 306.370 -0.251 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)c3ccc(O)nn3)CO2)C1 1053728927 DKWXAAIWNUXDJZ-LLVKDONJSA-N 302.334 -0.221 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)C3CS(=O)(=O)C3)CO2)C1 1053813886 BRFZJQGQEGYMBF-GFCCVEGCSA-N 312.391 -0.986 30 20 DBED CCCN1C[C@H](C(=O)N[C@@H]2COC3(C2)CN(CC#N)C3)CC1=O 1053940558 GXOWYSBHWIJUKR-OLZOCXBDSA-N 320.393 -0.272 30 20 DBED CCn1cc(CC(=O)N[C@H]2COC3(C2)CN(CC#N)C3)cn1 1053980545 QOEFVZWZPBRXSF-CYBMUJFWSA-N 303.366 -0.071 30 20 DBED CN1CCOC[C@H]1C(=O)N1CCN(c2ccc(C#N)nc2)CC1 1055754681 YQVBSVXMSXLTKD-HNNXBMFYSA-N 315.377 -0.068 30 20 DBED C=C[C@](C)(O)CC(=O)NCCN(CCO)C(=O)COCCC 1057138619 MOQDSAVAEFYZNI-HNNXBMFYSA-N 316.398 -0.323 30 20 DBED C=C(C)CCC(=O)NCCN(CCO)C(=O)c1nccnc1N 1057234286 WLIBNOMROYELQI-UHFFFAOYSA-N 321.381 -0.034 30 20 DBED C=C[C@](C)(O)CC(=O)N(CCO)CCNC(=O)[C@@H]1CC1(F)F 1057450167 MNTWRCDOWHRWSJ-GWCFXTLKSA-N 320.336 -0.094 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)C12CCN(CC1)C2 1057517601 YCNSSXXYDQHVHM-UHFFFAOYSA-N 321.421 -0.321 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)c1cnc(O)n1C 1057525444 TXMMKUNZACEDMG-UHFFFAOYSA-N 322.365 -0.664 30 20 DBED N#Cc1ccc(N[C@@H]2CCCN(C(=O)[C@H]3COC(=O)N3)C2)nn1 1057629446 BEXIOOYRUMUXOT-GHMZBOCLSA-N 316.321 -0.140 30 20 DBED N#Cc1cncc(N[C@H]2CCCN(C(=O)[C@H]3CNC(=O)N3)C2)n1 1057748412 KDIHMNKUCIGSNQ-GXSJLCMTSA-N 315.337 -0.567 30 20 DBED C=C(C)CCC(=O)N(CCO)CCNC(=O)[C@H](C)NC(C)=O 1057807940 WUSBRLQOMCLIOH-LBPRGKRZSA-N 313.398 -0.196 30 20 DBED N#Cc1ccc(N2CC[C@H](NC(=O)Cn3cnnc3O)C2)nn1 1058320998 QFLQFNOYCKSXIL-JTQLQIEISA-N 314.309 -0.960 30 20 DBED N#Cc1nc(=N[C@H]2C[C@@H](NC(=O)CN3CCOCC3)C2)cc[nH]1 1059600823 SOTDBMIIDNPGCU-TXEJJXNPSA-N 316.365 -0.839 30 20 DBED N#Cc1nccnc1NC[C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 1060972709 QQEHELNNHYAYIX-MWLCHTKSSA-N 315.337 -0.710 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCOC[C@@H]1CNC(=O)C#CC1CC1 1061571640 DYTXLTTVKYQPQY-ZFWWWQNUSA-N 318.373 -0.218 30 20 DBED C#CCCCC(=O)N1CCOC[C@H]1CNC(=O)C(C)(C)C(N)=O 1061657537 AZOXQSVINOMEGN-GFCCVEGCSA-N 323.393 -0.355 30 20 DBED C=CCOCCCC(=O)NC1(CNC(=O)CC(N)=O)CCC1 1062732760 BJZBYSDEQHXWBT-UHFFFAOYSA-N 311.382 0.000 30 20 DBED C#CCNC(=O)CC(=O)NCC1(NC(=O)CCN(C)C)CCC1 1062829657 WCTQOKKITUTHMG-UHFFFAOYSA-N 322.409 -0.767 30 20 DBED CN(C(=O)[C@H]1C[C@H]1C(N)=O)[C@H]1CCN(c2cncc(C#N)n2)C1 1063029191 DXHQCBQERGMZSV-TUAOUCFPSA-N 314.349 -0.493 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)[C@H]2CCC(=O)N2C)CCC1 1064132163 NLHMFUZEZWTDHA-GHMZBOCLSA-N 306.366 -0.078 30 20 DBED C=CCCOCC(=O)NC1(CNC(=O)[C@H]2CNC(=O)N2)CCC1 1064271648 ZNIOLLZKIXAUHY-LLVKDONJSA-N 324.381 -0.584 30 20 DBED Cc1cc(C(=O)N2CCO[C@H](CNC(=O)[C@H](C)C#N)C2)ncn1 1065050779 ILDZDDBVADONCU-ZYHUDNBSSA-N 317.349 -0.098 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCO[C@H](CNC(=O)CCOC)C1 1065277894 CDRZKUJFKFAZEP-QWHCGFSZSA-N 314.382 -0.042 30 20 DBED N#Cc1cnc(N2C[C@H](CNC(=O)c3cnco3)[C@@H](O)C2)cn1 1067688738 KHDYEPSBBCZDHW-ONGXEEELSA-N 314.305 -0.437 30 20 DBED N#CCN1CC[C@H](c2n[nH]cc2CNC(=O)c2nc[nH]n2)C1 1070429415 FVZHGTCFEQSWQI-VIFPVBQESA-N 300.326 -0.229 30 20 DBED C=CCOCC(=O)N1CCC[C@@H](NC(=O)[C@@H]2CCC(=O)N2C)C1 1070554567 WHYMYESYKVAWAI-OLZOCXBDSA-N 323.393 -0.083 30 20 DBED C=CCOCC(=O)N[C@@H]1CCCN(C(=O)c2nccnc2N)C1 1070570649 ASYLQHOLROLAKS-LLVKDONJSA-N 319.365 -0.018 30 20 DBED C[C@@H]1CN(C(=O)CCc2nc[nH]n2)C[C@]2(CCN(CC#N)C2)O1 1071151645 LJEBGXBXCLJODF-IUODEOHRSA-N 318.381 -0.047 30 20 DBED C[C@@H]1CN(C(=O)c2cnc(O)n2C)C[C@@]2(CCN(CC#N)C2)O1 1071198789 DXOBAHNKMALZGR-ABAIWWIYSA-N 319.365 -0.045 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(C(=O)CSC)C[C@@H]1C 1071543166 UTRYOLBOFYDUML-WDEREUQCSA-N 311.407 -0.548 30 20 DBED C#CCC1(C(=O)N2C[C@H](C)[C@@H](NC(=O)CNC(N)=O)C2)CCC1 1072236715 GKFITMUBPBGIKP-RYUDHWBXSA-N 320.393 -0.189 30 20 DBED N#CCN1CCC2(C1)CN(C(=O)[C@@H]1CCCS(=O)(=O)C1)C2 1073025611 IIMPSUXEXBRBRA-GFCCVEGCSA-N 311.407 -0.131 30 20 DBED C#Cc1cncc(C(=O)N2CC[C@H]3OCCN(CCO)[C@H]3C2)c1 1074336696 UNAWCUMAIJNMAB-JKSUJKDBSA-N 315.373 -0.030 30 20 DBED C#CCN[C@H]1C[C@@H](NC(=O)c2cn(C)c(=O)nc2O)C12CCC2 1078807414 WOKHPBYRDMLDRF-NWDGAFQWSA-N 316.361 -0.250 30 20 DBED CCN(C(=O)Cc1n[nH]c(C)n1)C1CN(C(=O)[C@H](C)C#N)C1 1079745919 SVSDXVVHUFZNHF-SECBINFHSA-N 304.354 -0.125 30 20 DBED C#CCOCCC(=O)N(CC)C1CN(C(=O)[C@H]2CCNC2=O)C1 1079770857 NRFABPNKALGPMI-ZDUSSCGKSA-N 321.377 -0.778 30 20 DBED CC#CCN1C[C@@H](NC(=O)[C@@H]2CC(=O)N(CCOC)C2)[C@H](C)C1 1079800126 NOAUDSMVRYLVCQ-RBSFLKMASA-N 321.421 -0.059 30 20 DBED C=CCCOCC(=O)N(CC)C1CN(C(=O)CC(=O)NC)C1 1079978691 YMEXXBYZTMRFGI-UHFFFAOYSA-N 311.382 -0.226 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)C(=O)NCC2CC2)C[C@H]1O 1081335739 PDCODHCFMLJVFV-CHWSQXEVSA-N 323.393 -0.586 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)CCN(C)C)C[C@@H]1O 1081344423 PVPJLNKOUBWTAV-STQMWFEESA-N 313.398 -0.924 30 20 DBED C=CCOCCCC(=O)NC[C@@H]1CN(C(=O)COC)C[C@H]1O 1081376751 MYVNUHOVRMXYTM-CHWSQXEVSA-N 314.382 -0.449 30 20 DBED C#CCCCCC(=O)NC[C@H]1CN(C(=O)c2cnon2)C[C@@H]1O 1081417503 UQPLDGLCVKRFAX-AAEUAGOBSA-N 320.349 -0.188 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1O 1081462803 FQKSQYDXEMXDDM-GHMZBOCLSA-N 305.338 -0.987 30 20 DBED C=CCCC(=O)N1C[C@H](CNC(=O)CN2CCCC2)[C@@H](O)C1 1081501096 YINWCUUFHKHOAD-KBPBESRZSA-N 309.410 -0.016 30 20 DBED CC(C)C#CC(=O)N1C[C@H](CNC(=O)CCCN(C)C)[C@@H](O)C1 1081701091 PVQZIOQOCCQQFP-GJZGRUSLSA-N 323.437 -0.077 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)Cc1c(C)nc(O)nc1O 1082268073 OFQWRXYZBGXKML-GHMZBOCLSA-N 321.337 -0.922 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](NCc2nnc3n2CCOC3)[C@H](C)C1 1082451105 POMPFBSKMJHUOH-QJPTWQEYSA-N 318.381 -0.096 30 20 DBED C=C(C)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)C1CN(C(C)=O)C1 1083063493 MKJNBDPOFVBRNJ-LSDHHAIUSA-N 307.394 -0.048 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cncc(C(N)=O)c1 1083277715 PYDJVTXHRJDDOK-UONOGXRCSA-N 314.345 -0.661 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)C2(N3CCOCC3)CCC2)C1 1083902233 HKQNISVUZHGJGS-CABCVRRESA-N 321.421 -0.574 30 20 DBED CNC(=O)CC(=O)N[C@H]1CC[C@@H](C)N(c2ccnc(C#N)n2)C1 1089130615 XHXFTVUZHQMZMG-MNOVXSKESA-N 316.365 -0.042 30 20 DBED CC#CCN1C[C@@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)Cn2ncnn2)C1 1089816883 QLOPRHSAIDBJRD-XQLPTFJDSA-N 314.393 -0.135 30 20 DBED C=CCn1cccc1C(=O)N[C@@H]1CCN(CC(=O)NC)C[C@@H]1O 1090323838 SUBGWKLSDFIJLB-OCCSQVGLSA-N 320.393 -0.415 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2ccnc3[nH]nnc23)[C@H](O)C1 1090421732 ZGLCPZBNWXBGKV-NXEZZACHSA-N 301.310 -0.959 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(c2cc(F)ncn2)C[C@@H]1O 1091093619 ZUNWBHJXZDXYSU-BFVZDQMLSA-N 310.329 -0.392 30 20 DBED CC[C@@H]1[C@@H](NC(=O)CC(=O)NC)CCN1c1ccc(C#N)nn1 1091771338 IWKXBLQEHRFICH-NWDGAFQWSA-N 316.365 -0.042 30 20 DBED CC(=O)N[C@H](C)C(=O)N[C@H]1[C@@H]2CN(c3cncc(C#N)n3)C[C@@H]21 1093207492 HFNIVGABNVIKCT-XFOOOJQKSA-N 314.349 -0.576 30 20 DBED Cc1cc(=NCCNC(=O)C[C@H]2CCC(=O)N2)c(C#N)c[nH]1 1093724945 UTTBUNOOAGBZIY-GFCCVEGCSA-N 301.350 -0.120 30 20 DBED C#CCN1CCN(C(=O)CC(F)(F)F)[C@@H]2CS(=O)(=O)C[C@@H]21 1094612166 YXIILVXPTTVQIX-VHSXEESVSA-N 324.324 -0.118 30 20 DBED CN1CC[C@H](CC(=O)N[C@@H]2CC(=O)N(C3CN(CC#N)C3)C2)C1 1094809761 PNPHMLBHODTOHP-CHWSQXEVSA-N 319.409 -0.747 30 20 DBED CN(CCCNC(=O)C[C@H]1CCNC1=O)c1nccnc1C#N 1095654896 KZPWFGBJMIRRBB-LLVKDONJSA-N 316.365 -0.183 30 20 DBED CN(C)C(=O)CC(=O)NCCCN(C)c1ccnc(C#N)n1 1095752252 DIMCCZZTVORGNH-UHFFFAOYSA-N 304.354 -0.231 30 20 DBED COC(=O)NCC(=O)N[C@H]1CCCN(c2ccnc(C#N)n2)C1 1096138725 XZJMDPQYHBCSRJ-JTQLQIEISA-N 318.337 -0.211 30 20 DBED N#Cc1c[nH]ccc1=N[C@H](CNC(=O)Cn1nccn1)C1CC1 1096736667 RYMLOWGXPUEWDE-CQSZACIVSA-N 311.349 -0.026 30 20 DBED Cc1nn[nH]c1C(=O)NC[C@H](N=c1cc[nH]c(C#N)n1)C1CC1 1096790358 KZJWPRKPRYOMHE-JTQLQIEISA-N 312.337 -0.183 30 20 DBED N#Cc1cncc(NC[C@H]2CCCCN2C(=O)CNC(N)=O)n1 1097473357 MZQPTLNOJMICFG-LLVKDONJSA-N 317.353 -0.190 30 20 DBED C#CCN(CCO)C1CCN(C(=O)c2ccc(C(N)=O)o2)CC1 1098423904 KGLQCBPLQRCLRT-UHFFFAOYSA-N 319.361 -0.089 30 20 DBED C[C@H](CCNC(=O)c1nnn(C)n1)Nc1cncc(C#N)n1 1099620673 AXXVCXXWFIWVDK-MRVPVSSYSA-N 301.314 -0.508 30 20 DBED C[C@H](CCNC(=O)C1(C(N)=O)CC1)Nc1cnc(C#N)cn1 1099658015 BMCSXYLKSNNLAH-SECBINFHSA-N 302.338 -0.080 30 20 DBED COCC#CCN1CC[C@H](NC(=O)Cc2cc[nH]n2)[C@@H](O)C1 1099749488 JSJHQGQBHVROER-KBPBESRZSA-N 306.366 -0.847 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)c2n[nH]c(C)c2O)[C@@H](O)C1 1099773026 PUZCPERSZIMSNL-NEPJUHHUSA-N 324.381 -0.209 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCN(Cc2n[nH]c(C)n2)C[C@@H]1O 1099832385 GXSBHUSKAOCWNB-OLZOCXBDSA-N 321.381 -0.796 30 20 DBED C#CCC1(C(=O)N[C@@H]2CCN(CC(=O)NCC)C[C@@H]2O)CCC1 1099874825 RHJGAWLLCTXEND-KGLIPLIRSA-N 321.421 -0.133 30 20 DBED C=CCN1CC[C@H](NC(=O)COCc2nccn2C)[C@@H](O)C1 1099887589 HTYMRKWBPWYYRU-STQMWFEESA-N 308.382 -0.326 30 20 DBED CN(CCNC(=O)CNC(N)=O)c1ccc(C#N)cc1[N+](=O)[O-] 1099910814 WHPAXLSGXQXGNG-UHFFFAOYSA-N 320.309 -0.313 30 20 DBED C=CCCCC(=O)N[C@@H]1CCN(Cc2nc(=O)n(C)[nH]2)C[C@H]1O 1099976560 OSNCXWRLEWBMRD-VXGBXAGGSA-N 323.397 -0.484 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)C2(CCC)CC2)[C@H](O)C1 1099992270 WQEZGUMKQBYRJH-UONOGXRCSA-N 321.421 -0.133 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)[C@H]2CCCOC2)C1 1100172147 ZTNRVWBPDBCFBI-MOKVOYLWSA-N 307.394 -0.353 30 20 DBED CCN(CCNC(=O)CCn1ccnn1)c1nccnc1C#N 1100520547 KCSMGQFPSJHOSQ-UHFFFAOYSA-N 314.353 -0.027 30 20 DBED C[C@H](NC(N)=O)C(=O)NC[C@@H]1CCN(c2cncc(C#N)n2)C1 1100968196 ASRDWKZQBPEOLF-UWVGGRQHSA-N 317.353 -0.652 30 20 DBED N#Cc1ccc(N(CCNC(=O)Cn2cnnn2)C2CC2)nn1 1101280752 AZVDOWHEZGFBLO-UHFFFAOYSA-N 313.325 -0.880 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)[C@@H](COC)OC)c3nccn32)C1 1101641281 MLQDQSBCQMHBDA-CHWSQXEVSA-N 318.377 -0.250 30 20 DBED CC[C@@H](OC)C(=O)NC[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1101797726 AKMNVEYBNXENLP-JHJVBQTASA-N 310.398 -0.265 30 20 DBED CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N(C)CCNc1cncc(C#N)n1 1101972348 YAULJANHQXYRTO-NEPJUHHUSA-N 316.365 -0.057 30 20 DBED C=CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)[C@@H]2CCC(=O)N2)C1 1102521524 LALWKIMFFNJLMX-UPJWGTAASA-N 322.409 -0.749 30 20 DBED CC[C@H](CNC(=O)[C@H]1CN(C)C(=O)N1)Nc1cncc(C#N)n1 1103262052 XCLAEYQXVCIYNJ-MWLCHTKSSA-N 317.353 -0.321 30 20 DBED COC(=O)NCC(=O)N(C)[C@@H](C)CNc1cnc(C#N)cn1 1104474211 OAPQTNMZENNWAS-VIFPVBQESA-N 306.326 -0.037 30 20 DBED C[C@H](NC(N)=O)C(=O)N(C)[C@H](C)CNc1cnc(C#N)cn1 1104535107 KYJLKVQHJYMBBM-BDAKNGLRSA-N 305.342 -0.336 30 20 DBED CC(=O)N[C@@H](C)C(=O)NC[C@H](N=c1cc[nH]c(C#N)n1)C(C)C 1105112003 AOEVFPQORFMPDW-JQWIXIFHSA-N 318.381 -0.153 30 20 DBED C#CCN1CC(OC2CCN(C(=O)COCCOC)CC2)C1 1105699981 OXBPQFGKPKWWKR-UHFFFAOYSA-N 310.394 -0.026 30 20 DBED N#Cc1cnc(NC[C@H](O)CNC(=O)[C@@H]2CCCOC2)cn1 1105741673 ILJKSELIWOOEIG-PWSUYJOCSA-N 305.338 -0.336 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@H](O)CNc1ccc(C#N)nn1 1105806564 ZUVLAVLMYMCGET-RISCZKNCSA-N 305.338 -0.436 30 20 DBED COCC[C@H](C)C(=O)NC[C@@H](O)CNc1ccc(C#N)nn1 1105860135 PZBRCMNHSOZCIU-JQWIXIFHSA-N 307.354 -0.090 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H](O)CNc1ccc(C#N)nn1 1105970613 KKAVZFKOERLUPV-JQWIXIFHSA-N 303.322 -0.724 30 20 DBED Cc1ncc(CC(=O)NC[C@@H](O)CNc2ccc(C#N)nn2)o1 1106004039 KVDVCBRWSVZUHV-NSHDSACASA-N 316.321 -0.224 30 20 DBED C=CCOCCNC[C@@H]1CN(C(=O)[C@H]2COC(=O)N2)C[C@H]1C 1106075864 NGJXMLKDMILCFW-JHJVBQTASA-N 311.382 -0.019 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)c2n[nH]cc2F)nn1 1106083008 GJGFUKWTNSKMRI-MRVPVSSYSA-N 305.273 -0.587 30 20 DBED C=CCN1CC(n2cc(CNC(=O)Cn3nccn3)nn2)C1 1107174686 XBXWTYMKTFNGOC-UHFFFAOYSA-N 302.342 -0.771 30 20 DBED C#CCCN1CCO[C@](C)(CNC(=O)CN2CCCC2=O)C1 1107729895 RXOZOBIBYLAZHZ-MRXNPFEDSA-N 307.394 -0.161 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)c2cn(C)c(=O)n2C)C1 1108425897 JHNUCWANSXOYRF-OAHLLOKOSA-N 306.366 -0.822 30 20 DBED C[C@@H](CNc1cncc(C#N)n1)NC(=O)[C@H]1CC(=O)N(C)C1 1108748605 UYWQUYUPILNFKR-UWVGGRQHSA-N 302.338 -0.257 30 20 DBED C[C@@H](CN(C)c1ccnc(C#N)n1)NC(=O)[C@H]1COC(=O)N1 1108926988 OHYWWUAGFCWGKF-DTWKUNHWSA-N 304.310 -0.602 30 20 DBED COC[C@H](OC)C(=O)N[C@H](C)CN(C)c1ccc(C#N)nn1 1109219665 MZRUDLBVRHQXKL-PWSUYJOCSA-N 307.354 -0.049 30 20 DBED CN(CCCN=c1cc[nH]c(C#N)n1)C(=O)CCn1cnnn1 1109498723 MJXOQQVWYBUZCE-UHFFFAOYSA-N 315.341 -0.893 30 20 DBED CC(=O)N(C)CC(=O)N[C@@H]1[C@H]2C[C@H]1N(c1cnc(C#N)cn1)C2 1109682926 TWTRKWGSFIIPQH-JVLSTEMRSA-N 314.349 -0.480 30 20 DBED CN(C)C(=O)CC(=O)N[C@H]1[C@H]2C[C@H]1N(c1ccnc(C#N)n1)C2 1109743492 TTWIRRVFHWHOHD-WMFXKJRFSA-N 314.349 -0.480 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H](NC(=O)[C@@H]1CCC(=O)N1)C1CC1 1109880711 QZJHINCYQWLALR-UONOGXRCSA-N 313.361 -0.040 30 20 DBED CCNC(=O)CC(=O)NCC1(N=c2cc[nH]cc2C#N)CC1 1110105944 XXGHVFIWQZJRQE-UHFFFAOYSA-N 301.350 -0.038 30 20 DBED Cc1cc(C#N)nc(NC2(CNC(=O)[C@@H]3CCC(=O)N3)CC2)n1 1110189278 PGOLMWCXUIPVLM-NSHDSACASA-N 314.349 -0.004 30 20 DBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cn[nH]c1 1110312568 XFISHAHDUSDZLB-UTUOFQBUSA-N 302.338 -0.615 30 20 DBED CO[C@@H](C)C(=O)NC[C@@]1(O)CCN(c2nc(C)cc(C#N)n2)C1 1111025721 ILMFCCKUMIVJDM-NHYWBVRUSA-N 319.365 -0.251 30 20 DBED N#Cc1cnc(N2CC[C@@](O)(CNC(=O)[C@H]3CCOC3)C2)cn1 1111043537 HESANHQVYSKQOL-XHDPSFHLSA-N 317.349 -0.558 30 20 DBED CC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C[C@H](NC(C)=O)C(N)=O 1111105755 MDMNTRXBLURJCZ-MQYQWHSLSA-N 320.393 -0.889 30 20 DBED CC(=O)NCC(=O)N[C@H]1CCN(c2nccnc2C#N)C[C@@H]1C 1112389290 ZEFWHRJJJUKHKI-JQWIXIFHSA-N 316.365 -0.185 30 20 DBED CC(=O)NCC(=O)N[C@H]1CCN(c2cncc(C#N)n2)[C@H](C)C1 1112467290 LZTFJKUPIHGBMY-PWSUYJOCSA-N 316.365 -0.042 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)c2cnns2)CC1 1112649546 ICKZCTAXODYHHS-SNVBAGLBSA-N 309.395 -0.013 30 20 DBED CCOCC(=O)NC[C@@H]1CN(c2ncccc2C#N)C[C@H]1O 1112691494 FYTZDPNZKJKWEX-CHWSQXEVSA-N 304.350 -0.097 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)c2n[nH]c(C)c2O)CC1 1112768288 VSDMRVZNADJRBV-LLVKDONJSA-N 321.381 -0.128 30 20 DBED C=CCOCCN1CCN(C(=O)[C@@H]2CCS(=O)(=O)C2)CC1 1113080785 PROPUCDEEVMGBI-CYBMUJFWSA-N 316.423 -0.232 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)c2cnc(O)n2C)CC1 1113190254 FECOVLPXYQOQNB-NSHDSACASA-N 321.381 -0.426 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)c3cc[nH]n3)[C@H]2C1 1113893967 QFCNHRSNVRXHHP-DCQANWLSSA-N 303.366 -0.240 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)c3ccnn3C)[C@H]2C1 1113990118 JLMDBVNGNFNBKU-NMKXLXIOSA-N 317.393 -0.229 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)Cc3cccnc3)[C@H]2C1 1114139977 XPUFEHMOQPJSPU-HALDLXJZSA-N 314.389 -0.027 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3coc(C)n3)[C@H]2C1 1114173766 HNEFBQAVRJXMCI-QWRGUYRKSA-N 302.334 -0.608 30 20 DBED CCN(CC)S(=O)(=O)CC(=O)NC1[C@H]2CN(CC#N)C[C@H]12 1114904580 XCMPEUYTQBSLGS-QWRGUYRKSA-N 314.411 -0.772 30 20 DBED C[C@@H](CCCNc1nccnc1C#N)NC(=O)c1nnn(C)n1 1115052769 SBWZATYPWFJYQZ-VIFPVBQESA-N 315.341 -0.118 30 20 DBED C=CCN1C[C@@H]2C(NC(=O)CCC(=O)N3CCOCC3)[C@H]2C1 1115209025 OTCFEBAYLMBZCS-STQMWFEESA-N 307.394 -0.142 30 20 DBED C=CCO[C@H](C)C(=O)NC1[C@H]2CN(Cc3nc(=O)n(C)[nH]3)C[C@H]12 1115331974 HMORWBNTBLRZDX-VWYCJHECSA-N 321.381 -0.754 30 20 DBED N#Cc1ccnc(N2CCN3C(=O)NC(=O)[C@H]3C2)c1[N+](=O)[O-] 1116495590 YPVZIQDRGMQAEX-MRVPVSSYSA-N 302.250 -0.398 30 20 DBED CC[C@@]1(O)CCN(C(=O)C(=O)NC2CCN(CC#N)CC2)C1 1117281022 ISVVFCOWBDCMBM-OAHLLOKOSA-N 308.382 -0.536 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)NCc1cnc(N(C)C)n1C 1117338778 DAHZEBIJOHUVMF-JTQLQIEISA-N 309.370 -0.581 30 20 DBED Cc1noc(C)c1C(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1 1121030433 IJSDLJZHVVIVHN-SNVBAGLBSA-N 316.321 -0.422 30 20 DBED Cc1cc(C#N)nc(N[C@@H](CO)CNC(=O)CSCC#N)n1 1121080079 ZRHFOFZUPPOKRU-LLVKDONJSA-N 320.378 -0.198 30 20 DBED C#CCC1(C(=O)NC[C@@H](CO)N=c2cc[nH]c(C#N)n2)CCC1 1122133426 LQCDDNKDRINCRF-LBPRGKRZSA-N 313.361 -0.147 30 20 DBED Cc1cc(C#N)nc(N[C@H](CO)CNC(=O)Cc2cnc[nH]2)n1 1122621210 IUNLVJDCHNGLEQ-LBPRGKRZSA-N 315.337 -0.489 30 20 DBED CN(C[C@H](O)CNc1ccc(C#N)nc1)C(=O)c1nnn(C)n1 1124649121 LSRIAGYVFJAVNJ-LLVKDONJSA-N 316.325 -0.978 30 20 DBED C[C@@H](C#N)C(=O)NCCNCC(=O)NC(=O)NC1CCCC1 1124895023 CJKGRNXVJPDDDB-JTQLQIEISA-N 309.370 -0.380 30 20 DBED CN(C)CCC(=O)N(C)C[C@H](O)CN(C)c1ccc(C#N)nn1 1125255147 XWALWJHOKPGBTH-CYBMUJFWSA-N 320.397 -0.445 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1126943375 NYLSCJYSKKNDJE-VXGBXAGGSA-N 310.354 -0.442 30 20 DBED CC(C)c1cc(C(=O)NCCNCC(=O)NCC#N)nn1C 1126990433 VERDUOUNTYUKPI-UHFFFAOYSA-N 306.370 -0.497 30 20 DBED CNC(=O)CC(=O)N(C)CCOCCNc1ccc(C#N)cn1 1127275445 QRNXASLVAYYIHB-UHFFFAOYSA-N 319.365 -0.024 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)Cc2cn(C)nc2C)C1=O 1129597361 SFAWVOQGHOPEDK-AWEZNQCLSA-N 319.409 -0.236 30 20 DBED CN1C[C@H](C(=O)NCCNCc2ccc(C#N)c(F)c2)NC1=O 1132382847 SWJGZEHTOXUBJV-CYBMUJFWSA-N 319.340 -0.073 30 20 DBED C#CCCCCCC(=O)NCCNCCNS(C)(=O)=O 1132407262 CPLOHPSMOMGYCT-UHFFFAOYSA-N 303.428 -0.175 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](C)[C@@H](CNCCOC)C1 1132760687 AZUDYMVIEZHHDI-KGLIPLIRSA-N 309.410 -0.154 30 20 DBED C=CCNC(=O)CNC[C@@H]1CN(C(=O)c2cnn[nH]2)CC[C@H]1C 1132946557 TVHPFXPRPFBNBZ-VXGBXAGGSA-N 320.397 -0.205 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1ccc2ncn(C)c2n1 1133803984 JVTDMPSAQDEMSI-UHFFFAOYSA-N 314.349 -0.963 30 20 DBED C[C@@H](OCc1ccncc1)C(=O)NCCNCC(=O)NCC#N 1134024602 DAYPBGRAZFTTIP-GFCCVEGCSA-N 319.365 -0.668 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)C1CCN(C)CC1 1135377572 ATNICQYFTQVFLT-KGLIPLIRSA-N 322.453 -0.050 30 20 DBED C#CCCN[C@@H](C)C[C@@H](C)NC(=O)CNS(=O)(=O)N(C)C 1135568437 NLGGDUKNTJLVCX-NWDGAFQWSA-N 318.443 -0.721 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)[C@H]1CCO[C@@H]1C 1135780770 INMTUIBEQIBWFI-OLZOCXBDSA-N 310.398 -0.121 30 20 DBED C[C@H](C[C@@H](C)NC(=O)c1cc(=O)n2[nH]cnc2n1)NCC#N 1135924636 UMKLVIHNYHJQKB-RKDXNWHRSA-N 303.326 -0.572 30 20 DBED O=C(C#CC1CC1)NCCCNCC(=O)NC[C@H]1CCOC1 1157689848 MZDOEBFKSGKQBA-CQSZACIVSA-N 307.394 -0.352 30 20 DBED C=CCNC(=O)CNCCCNC(=O)c1cc2n(n1)CCC2 1159434270 ULKFHBRMHWRFJP-UHFFFAOYSA-N 305.382 -0.159 30 20 DBED C#CCN1CCC(CNC(=O)Cn2cnnn2)(COC)CC1 1162091948 XGXZFVSGYZNPDC-UHFFFAOYSA-N 306.370 -0.849 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)CCc1cnn[nH]1 1166975260 ZRRVLIXLFMDCGG-LLVKDONJSA-N 308.386 -0.476 30 20 DBED CCS(=O)(=O)NCC(=O)N[C@H](C)CCCCNCC#N 1171068822 KXTRSPCYVQLERU-LLVKDONJSA-N 304.416 -0.286 30 20 DBED CCCC(=O)N1CC[C@H]2OCCN(CC(=O)NCC#N)[C@@H]2C1 1176882102 LBRKYAKNCLJARX-CHWSQXEVSA-N 308.382 -0.272 30 20 DBED C[C@H]1[C@@H](NCC#N)CCN1C(=O)CCCN1C(=O)CNC1=O 1180101180 RMNDZUJFTYIALK-QWRGUYRKSA-N 307.354 -0.579 30 20 DBED C=CCNCc1cn([C@H]2CCCN(C(=O)CC(N)=O)C2)nn1 1185900301 UYHXXQMRDGESRZ-LBPRGKRZSA-N 306.370 -0.407 30 20 DBED COCC#CCN1C[C@@H]2CCN(C(=O)CC(=O)N(C)C)[C@@H]2C1 1189367573 QCYSQFFMXWWCNN-UONOGXRCSA-N 307.394 -0.353 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H]2CCN(C(=O)c3cnon3)[C@@H]2C1 1189492824 YYSVQGQWGAQINY-GMXVVIOVSA-N 317.349 -0.646 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)CCSC)C1 1190858611 ARFIVCQCROEOAJ-GHMZBOCLSA-N 301.412 -0.797 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC=CCC2)C1 1190970133 XDYAFDBRGRNOAU-MGPQQGTHSA-N 307.394 -0.194 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)Cc2cnn(C)c2)C1 1191607214 DEJMYXDATOMRBQ-ZIAGYGMSSA-N 308.382 -0.674 30 20 DBED C=C(C)CCC(=O)N[C@@H]1CN([C@@H]2CCC(=O)NC2=O)C[C@H]1O 1193400691 WZSLUPXDNGSTMC-IJLUTSLNSA-N 309.366 -0.691 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)COCc2ccnc(O)c2)C1 1194110286 YVVUEILTEFTNKZ-ZIAGYGMSSA-N 319.361 -0.512 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@]23CCC[C@@H]2C3)C1 1194847560 ILVOQPAKKMTPTQ-BRXULGCHSA-N 307.394 -0.360 30 20 DBED CC#CCN1CCCN(C(=O)CCS(=O)(=O)NC)CC1 1195832527 LTKVPVNCYFYCFM-UHFFFAOYSA-N 301.412 -0.517 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)c2cncc(OC)n2)C1 1196667063 JRELFGJHMSFFRA-CHWSQXEVSA-N 322.365 -0.537 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)[C@H](NC(N)=O)C(C)(C)C)C1 1197812835 VKYLDBUDKUKQTM-UTUOFQBUSA-N 312.414 -0.193 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)[C@@H]2C[C@H]2C(=O)OC)CC1 1199667730 OSJXQGIMUAFVFO-CHWSQXEVSA-N 323.393 -0.322 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)/C(C)=C/C)CCCO1 1200215996 RHFRKPCKGXVYHR-BRRGFWCPSA-N 307.394 -0.091 30 20 DBED C=CCNC[C@H]1CN(C(=O)CCNS(C)(=O)=O)CCCO1 1200648151 GTGGCYRZEBXNMS-LBPRGKRZSA-N 319.427 -0.681 30 20 DBED C#CCNC[C@@H]1CN(C(=O)CCn2cnccc2=O)CCCO1 1201748198 DQGOSCAGYDTNPY-CQSZACIVSA-N 318.377 -0.526 30 20 DBED C#CCNC[C@H]1CN(C(=O)C(=O)N2CC[C@@H](C)C2)CCCO1 1201824126 PSGPJIPIEVYUIM-KGLIPLIRSA-N 307.394 -0.305 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)[C@@H](C)CC(N)=O)CC1 1201957927 CWMBTHJVKUCWDH-NSHDSACASA-N 310.398 -0.619 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCC(NCc2nnn(C)n2)CC1 1204028960 SBVUEAGLMJTWKA-NSHDSACASA-N 308.386 -0.118 30 20 DBED CC(C)C#CC(=O)N1C[C@H]2CC[C@H]1[C@@H](NCC(=O)NC(N)=O)C2 1204302242 BTTGZYRNWSSZRY-AVGNSLFASA-N 320.393 -0.190 30 20 DBED COCCn1cc(C(=O)N2CCC(CNCC#N)CC2)nn1 1205243000 YRXXDCKUHNRLOZ-UHFFFAOYSA-N 306.370 -0.110 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(CC(=O)N2CCC2)C[C@H]1C 1206914562 JQWOEYAUIXRLCJ-IOASZLSFSA-N 309.410 -0.018 30 20 DBED Cc1cc(C(=O)N2CCC[C@H](NCC(=O)NCC#N)C2)no1 1207175804 BVOJSCTXTSNGQS-NSHDSACASA-N 305.338 -0.183 30 20 DBED Cn1cnc(C(=O)N2CCC[C@@H](NCC(=O)NCC#N)C2)c1 1207806343 CENFDSMVDMDCDN-LLVKDONJSA-N 304.354 -0.746 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)C(C)(C)COC)[C@H](C)C1 1207991081 FHRDALFFZMATOQ-CHWSQXEVSA-N 309.410 -0.155 30 20 DBED C#CCCN[C@H]1CCCN(C(=O)CCn2ncn(C)c2=O)C1 1208703913 GHYNQZUYTDYPNP-ZDUSSCGKSA-N 305.382 -0.424 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2c(C)n[nH]c2C)[C@H](C)C1 1209540519 KBIDRIBNWWXRLI-ZWNOBZJWSA-N 317.393 -0.174 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)CN(C)CCC)C1 1210789385 OIZPVFLDFDZAEE-AWEZNQCLSA-N 308.426 -0.342 30 20 DBED C#CCN[C@H]1CCCN(C(=O)CCC(=O)N2CCOCC2)C1 1210965967 LEFHPUQPNOLUDW-AWEZNQCLSA-N 307.394 -0.161 30 20 DBED COCC#CCN1C[C@@H](NC(=O)c2csnn2)[C@H](OC)C1 1213226210 GOKPOGBBKVPJCY-ZYHUDNBSSA-N 310.379 -0.383 30 20 DBED C#CCN[C@@H]1CN(C(=O)CNC(=O)c2cscn2)C[C@H]1C 1216248880 NOLOFQZIROKMAO-GHMZBOCLSA-N 306.391 -0.057 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1C[C@H]2[C@@H](C1)OCCN2C(C)=O 1217152374 HSKYLHJDSDORFC-WCFLWFBJSA-N 324.381 -0.682 30 20 DBED N#CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)C1=CCCC1 1217631246 KQOTYPXZWVEJDU-UONOGXRCSA-N 318.377 -0.352 30 20 DBED N#CCSCC(=O)N[C@@H]1CN(CCOCC(F)F)C[C@@H]1O 1219216199 DMCLTBREJZMTCM-ZJUUUORDSA-N 323.365 -0.314 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@@H](C)OCc2ccncc2)C1 1220385261 DOKOSSDBBCYBGB-YUELXQCFSA-N 303.362 -0.219 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)C2(C(=O)NC)CC2)C1 1220542641 KDMVEDPVGWPWLY-ZJUUUORDSA-N 301.774 -0.574 30 20 DBED CCO[C@@H]1C[C@@H]1C(=O)NC1CCN(CC(=O)NCC#N)CC1 1226228201 GMJDFGXEYSFBFB-QWHCGFSZSA-N 308.382 -0.368 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C(C)(C)C(N)=O 1226913549 XZKFWPOWMGRXOR-VXGBXAGGSA-N 324.425 -0.183 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)Cc2nnc(C)o2)CC1 1227151231 HCPBCORWOJKIKD-UHFFFAOYSA-N 321.381 -0.197 30 20 DBED N#CCCCCNC(=O)C(=O)N1CCN(C(=O)C2CC2)CC1 1258149213 JUXYBJVCRZKEOG-UHFFFAOYSA-N 306.366 -0.123 30 20 DBED CC(=NNCCS(C)(=O)=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 1261207539 HOIMRTQQCNSEHA-UHFFFAOYSA-N 324.362 -0.425 30 20 DBED N#Cc1ccc(C(=O)NCc2nnc3c(=O)[nH]ccn23)cc1O 1303750250 VHQFVSIDVPFTBS-UHFFFAOYSA-N 310.273 -0.075 30 20 DBED Cc1nn(CC(=O)N[C@@H]2CCSC2=O)c(=O)c(C#N)c1C 1319650449 YWCOAWCTQQVKGL-SNVBAGLBSA-N 306.347 -0.120 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@H](C)c1ccc[nH]1 1323535465 WXVIWZDRZJDUIX-SNVBAGLBSA-N 313.379 -0.091 30 20 DBED C=CCN(C)C(=O)C(=O)N1CCN(C(=O)N2CCOCC2)CC1 1325569405 MRGVBHWRFRKIBR-UHFFFAOYSA-N 324.381 -0.773 30 20 DBED C#CCCCNC(=O)C(=O)Nc1ncn(CC(=O)OCC)n1 1326217618 GLZROGULKXWKBT-UHFFFAOYSA-N 307.310 -0.691 30 20 DBED C=CCOCCNC(=O)C(=O)N1CCO[C@H](CC(=O)OC)C1 1327426668 NVDSFDODONWVHQ-LLVKDONJSA-N 314.338 -0.904 30 20 DBED C#CCCCn1nnnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1334650508 WTZQEIMMRTUPDF-LLVKDONJSA-N 317.353 -0.441 30 20 DBED C=C(CC)CNC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)NC)C1 1348781614 YZIFFAWOOJNKNC-LLVKDONJSA-N 317.411 -0.391 30 20 DBED N#Cc1cn(CCC(=O)N2CCCn3nccc32)c(=O)nc1O 1362181875 SWPLIXTXCFECBH-UHFFFAOYSA-N 314.305 -0.156 30 20 DBED CCC[C@H](CCO)CNC(=O)Cn1cc(C#N)c(O)nc1=O 1362232014 NICBMZOAZXUXTI-SNVBAGLBSA-N 308.338 -0.265 30 20 DBED CC(C)(CN1CCCC1)NC(=O)Cn1cc(C#N)c(O)nc1=O 1362884310 HFPXEUWMNANVDS-UHFFFAOYSA-N 319.365 -0.189 30 20 DBED N#CC1(C(=O)Nc2ccc(=O)n(CC(N)=O)c2)CCOCC1 1362920953 IMUJHJPDZIBAKK-UHFFFAOYSA-N 304.306 -0.408 30 20 DBED CN(C[C@H](O)CNC(=O)c1c[nH]c(C#N)c1)C(=O)c1ccon1 1370962853 JLKINZZOYUMQEB-LLVKDONJSA-N 317.305 -0.263 30 20 DBED COc1cc(C)cnc1C(=O)NC[C@@H](O)CNC(=O)[C@@H](C)C#N 1376641941 NTLHOITZBKRURB-QWRGUYRKSA-N 320.349 -0.235 30 20 DBED C=C(Br)CNC[C@@H](O)CNC(=O)[C@@H](C)NC(C)=O 1379160200 IDMRYTLQYSFWJV-PSASIEDQSA-N 322.203 -0.514 30 20 DBED C=C(Cl)CN[C@@H]1CCN(C(=O)CS(=O)(=O)NC)[C@@H]1C 1379574264 UKFNRDZNEDZSOI-NXEZZACHSA-N 309.819 -0.133 30 20 DBED C[C@@H](C(=O)NC(N)=O)N1C[C@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2C1 1380700088 MEURTQWFBIPSMU-YTWAJWBKSA-N 307.354 -0.880 30 20 DBED Cc1nc(CC(=O)NC[C@H]2CCCN2C(=O)[C@@H](C)C#N)n[nH]1 1388363574 IMGGXRQQQJVBSM-GXSJLCMTSA-N 304.354 -0.078 30 20 DBED CCS(=O)(=O)CC(=O)NC[C@H]1CCN1C(=O)[C@H](C)C#N 1400413422 FWTWVTALERNJRY-NXEZZACHSA-N 301.368 -0.702 30 20 DBED CNS(=O)(=O)CC(=O)NC1CN(Cc2ccc(C#N)cc2)C1 1404841837 ZCPFRDFBJXNPMM-UHFFFAOYSA-N 322.390 -0.592 30 20 DBED C=C(Cl)CNC[C@H](C)CNC(=O)c1nnc(O)nc1O 1405703775 GPKSIVWUAYBQJG-LURJTMIESA-N 301.734 -0.009 30 20 DBED C[C@H](C#N)C(=O)NCCN(C)C(=O)c1cccn2c(O)nnc12 1408674227 TVVMANCQALRMOK-SECBINFHSA-N 316.321 -0.217 30 20 DBED CCc1c(C(=O)N2CC(NC(=O)[C@H](C)C#N)C2)nnn1CC 1409101593 TVTCCFSORMUKSB-SECBINFHSA-N 304.354 -0.039 30 20 DBED COc1cc(C#N)ccc1C(=O)NC[C@H](O)Cn1ccnn1 1412215911 NUQTWPSYFFWECY-NSHDSACASA-N 301.306 -0.051 30 20 DBED C[C@@H](CNC(=O)c1c[nH]c(C#N)c1)NC(=O)[C@H]1CCCC(=O)N1 1415146405 PYPWRAHLZZPJAM-JOYOIKCWSA-N 317.349 -0.210 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CCN(C)C(=O)C2)C1 1430183651 RZHONUKVFNFFGG-BJDJZHNGSA-N 306.366 -0.222 30 20 DBED C[C@H](CNC(=O)Cn1cc(C#N)c(O)nc1=O)Cn1cccn1 1433613259 WCFQIMJJIBYVLO-SNVBAGLBSA-N 316.321 -0.530 30 20 DBED N#Cc1ccccc1CNC[C@H](O)CNC(=O)[C@@H]1COCCO1 1445164077 SHQAIFMJJRCNDQ-GJZGRUSLSA-N 319.361 -0.460 30 20 DBED COC[C@H](O)CN1CCN(CCCNC(=O)C#CC2CC2)CC1 1490465862 CXCORBPTTFWVRY-MRXNPFEDSA-N 323.437 -0.469 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)c2cn(C)c(=O)nc2O)CC1 1506068192 GIJRRUFPHVNWFO-QMMMGPOBSA-N 319.321 -0.976 30 20 DBED C[C@@H](C#N)C(=O)NC1CC2(C1)CC(NC(=O)[C@@H]1COC(=O)N1)C2 1522482005 NROHZUALKCJLEE-DIIANFAESA-N 320.349 -0.202 30 20 DBED C=C(C)C(C)(C)C(=O)N[C@@H](CO)CNC(=O)CNC(=O)O 1573321681 PLNICEVZJHRNEU-SECBINFHSA-N 301.343 -0.550 30 20 DBED C[C@H](CNC(=O)[C@@H](C)C#N)CNc1cnc(-c2nn[nH]n2)cn1 1574834002 AQEAITXOVLDENV-IUCAKERBSA-N 315.341 -0.019 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NCC(=O)NCc2cnn[nH]2)CCC1 1575176623 GOVHCZALODKJIO-JTQLQIEISA-N 319.369 -0.791 30 20 DBED C[C@@H]1CC[C@H](C(N)=O)CN1c1cnc(-c2nn[nH]n2)c(C#N)n1 1576100059 IXDLXDNJSIHSLA-SFYZADRCSA-N 313.325 -0.381 30 20 DBED CCS(=O)(=O)C[C@@H](C)Nc1cnc(C#N)c(-c2nn[nH]n2)n1 1578411951 XMROOEZDEWJAAB-SSDOTTSWSA-N 322.354 -0.237 30 20 DBED CCn1cc(C#N)c(=O)n(Cc2cc(-c3nn[nH]n3)ccn2)c1=O 1578736998 MYMVDWFCNLXIFN-UHFFFAOYSA-N 324.304 -0.475 30 20 DBED C#CCN(CC(=O)O)C(=O)Cc1c(C)[nH]c2ccnn2c1=O 1588407469 OMSHEGBQAIEPSB-UHFFFAOYSA-N 302.290 -0.580 30 20 DBED C#CCN1CCN(C(=O)CN[C@@H](C[C@@H]2CCCO2)C(=O)O)CC1 1588477425 QBRYLHSGNZOMJE-KBPBESRZSA-N 323.393 -0.624 30 20 DBED N#Cc1cc(C(=O)O)cn(CC(=O)N[C@H]2CCSC2=O)c1=O 1601086346 LGHLKWPIEUFWDQ-VIFPVBQESA-N 321.314 -0.434 30 20 DBED C#CCN(CC(=O)O)S(=O)(=O)CC1(C(=O)O)CCCC1 1602715776 RSZDNNKCLYVBSO-UHFFFAOYSA-N 303.336 -0.019 30 20 DBED Cn1[nH]cnc1=NC(=O)[C@@H](C#N)Cc1ccc(-c2nn[nH]n2)cc1 1609483026 FCACEBSZRUGUTM-LLVKDONJSA-N 323.320 -0.262 30 20 DBED COCC1(O)CCN(S(=O)(=O)N(C)[C@H](C)CC#N)CC1 1649789512 MZJQBLAPWAGHIN-LLVKDONJSA-N 305.400 -0.062 30 20 DBED COc1nc(C(=O)N[C@H]2C[C@H](NCC(=O)NCC#N)C2)co1 1752652016 GWWQKZGJUJXNSZ-KYZUINATSA-N 307.310 -0.827 30 20 DBED C#CCCNC[C@H]1CCCN(C(=O)CN(C)C(=O)COC)C1 1752798445 ADKORNJYZSBNIV-CQSZACIVSA-N 309.410 -0.057 30 20 DBED COc1ccc(CC(=O)NC[C@H](C)NCC(=O)NCC#N)cc1 1752913857 MATNBUHQJJSGMD-LBPRGKRZSA-N 318.377 -0.028 30 20 DBED Cn1cnn(CCC(=O)N[C@@H]2CCC[C@H](NCC#N)C2)c1=O 1752974388 SGKZVTPWMFRKRR-NWDGAFQWSA-N 306.370 -0.488 30 20 DBED CC(=O)NCCOCCN1CCC[C@H]1CNC(=O)[C@H](C)C#N 1753096674 DJOMWEKUNZGALQ-OCCSQVGLSA-N 310.398 -0.121 30 20 DBED C#CCNC(=O)[C@@H](C)NCCN(C)C(=O)c1ccc(O)nc1 1753257788 JEMUERUHQBBFOX-LLVKDONJSA-N 304.350 -0.413 30 20 DBED C=CCCC(=O)N(C)CCN1CCN([C@@H]2CCNC2=O)CC1 1753343080 BDCNPRSAYMYHJE-CQSZACIVSA-N 308.426 -0.083 30 20 DBED CNC(=O)NC(=O)[C@H](C)N1CC(CNC(=O)C#CC(C)C)C1 1753401939 WOHHBTKZIOXYSF-NSHDSACASA-N 308.382 -0.462 30 20 DBED C#CCCN1CC[C@@H](N(CC)C(=O)C[C@H](NC(C)=O)C(N)=O)C1 1753458143 DDZODVOJSZBKMH-KGLIPLIRSA-N 322.409 -0.687 30 20 DBED CC#CCNC[C@H](O)CNC(=O)[C@@H]1COCCN1CC(F)F 1753921080 DMFLLKDOVDJYOO-RYUDHWBXSA-N 319.352 -0.958 30 20 DBED C#CCNC(=O)CNC[C@H](O)CNC(=O)c1cccc(C)c1C 1753935585 LUYVZFSTOQUPDP-AWEZNQCLSA-N 317.389 -0.267 30 20 DBED COCC#CCNC[C@@H]1CCCN1C(=O)[C@@H]1CCNC(=O)C1 1754607942 NAQWCILLIYHCSQ-KGLIPLIRSA-N 307.394 -0.257 30 20 DBED C#CCNC(=O)CNC[C@]1(C)CCN(C(=O)[C@@H](CC)OC)C1 1754689442 LYSMLTUVULJYLV-CJNGLKHVSA-N 309.410 -0.011 30 20 DBED C#CCCNC[C@@]1(C)CCN(C(=O)CN2CCOCC2=O)C1 1754697878 UHBRRJZDVMIMAX-MRXNPFEDSA-N 307.394 -0.303 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1[C@H]2CN(Cc3cnn(C)n3)C[C@H]12 1755420693 NNPPEYABMHYXPC-FMKPAKJESA-N 319.409 -0.064 30 20 DBED C[C@@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)C12CCN(CC1)C2 1755663794 OFIADPOSBGDSKZ-OLZOCXBDSA-N 319.409 -0.699 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@@H](O)CN(C)C(=O)c1nccs1 1755792811 ZLWOVXFPRLAFOH-GHMZBOCLSA-N 324.406 -0.697 30 20 DBED C#CCCN(C)C[C@@H](O)CN(C)C(=O)c1ccc2nnnn2c1 1755803203 OZKZGLJQEXGVRY-CYBMUJFWSA-N 316.365 -0.488 30 20 DBED C#CCCN(C)C[C@@H](O)CN(C)C(=O)CN1CCCNC1=O 1755803417 UNBWURDWGLAWQT-CYBMUJFWSA-N 310.398 -0.824 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CC(N(C)C(=O)c2cnn[nH]2)C1 1755858741 PPBMFXQWTSWWQJ-KPPDAEKUSA-N 304.354 -0.865 30 20 DBED Cc1nn[nH]c1C(=O)N(C)[C@@H](C)CNC(=O)CSCC#N 1756007275 ZKWNXDMFJMPDOT-QMMMGPOBSA-N 310.383 -0.053 30 20 DBED CC(C)C#CC(=O)N(C)C[C@H](C)NC(=O)Cn1cnnc1O 1756448945 CKOIWOUJAOJBHL-NSHDSACASA-N 307.354 -0.394 30 20 DBED C=CCOCC(=O)N1CCC[C@H](NC(=O)Cn2cnnn2)[C@H]1C 1756616487 DNDXHHZNPFGTPN-NEPJUHHUSA-N 322.369 -0.629 30 20 DBED CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2 1795332012 SUJPQNLAAMUDBV-BTTYYORXSA-N 322.409 -0.122 30 20 DBED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@H](O)C1 1797152963 PZQAKFMGWGPXKY-NFCZVNRYSA-N 320.389 -0.240 30 20 DBED Cn1nncc1C(=O)N1CCCC12CN(C(=O)C1(C#N)CC1)C2 1842133220 VYMCKLDZDSKMQX-UHFFFAOYSA-N 314.349 -0.064 30 20 DBED Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCNC(=O)C1 52837330 UACDDNKPGDXDDU-UHFFFAOYSA-N 302.334 -0.246 30 20 DBED C=CCNC(=O)NC(=O)CN1CCN(C[C@@H]2CCCO2)CC1 57884214 ROECDJFWFKDECS-ZDUSSCGKSA-N 310.398 -0.205 30 20 DBED CN(CCC#N)C(=O)CCN1CCc2nn(C)c(=O)cc2C1 92798440 RAURSJQGFLQHCG-UHFFFAOYSA-N 303.366 -0.099 30 20 DBED C[C@H](C#N)CN(C)[C@@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O 143235365 OCPLJGKRTNGYCD-BDAKNGLRSA-N 307.354 -0.671 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)c2ccccn2)CC1 192824059 VPUTVTASNOBDQE-ZDUSSCGKSA-N 300.362 -0.023 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCSC[C@@H]2C#N)C1=O 271693494 FRBVMHHDLQYFSV-VIFPVBQESA-N 322.346 -0.569 30 20 DBED C#Cc1cccc(NC(=O)CNC(=O)[C@@H]2CC[C@H](C(N)=O)O2)c1 276386362 FIQOFOTXYBJICO-OLZOCXBDSA-N 315.329 -0.245 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)CSc2n[nH]c(=O)[nH]2)C1=O 281707907 MPORCQZNYUECMA-QMMMGPOBSA-N 311.367 -0.565 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(CC)C[C@@H](C)OC)C1=O 291020400 AFRNZOOEKJOUEF-SNVBAGLBSA-N 311.338 -0.153 30 20 DBED N#Cc1ccc(S(=O)(=O)NCCN2CCC(O)CC2)cn1 321541046 UMVNUIRZUGRKMK-UHFFFAOYSA-N 310.379 -0.312 30 20 DBED CC/N=C(/O)N1CCN(C(=O)c2ccc(C(N)=O)nc2)CC1 330676574 ISOAVHZBGPYYJX-UHFFFAOYSA-N 305.338 -0.128 30 20 DBED N#Cc1ccc(NCC(=O)N[C@H]2CCC(=O)N[C@@H]2C2CC2)nc1 332796849 FKMYAWIDBYKHOF-BLLLJJGKSA-N 313.361 0.539 30 20 DBED CO[C@@H]1CCC[C@@H]1CNS(=O)(=O)N1CCO[C@H](C#N)C1 336948121 QDZUDAGMTAEGFE-IJLUTSLNSA-N 303.384 -0.140 30 20 DBED CCOC(=O)[C@H](C)N(C)S(=O)(=O)N1CCO[C@@H](C#N)C1 337083731 BYBYPNMIBOVSCI-UWVGGRQHSA-N 305.356 -0.661 30 20 DBED COCCN([C@H](C)C(N)=O)S(=O)(=O)N(C)[C@@H](C)CC#N 337836154 UMFJDPSSVCVHAH-VHSXEESVSA-N 306.388 -0.713 30 20 DBED CC(C)OCCS(=O)(=O)NCC(=O)N[C@H](C#N)C(C)C 343682370 XPIOKOJTUSJQEU-LLVKDONJSA-N 305.400 -0.005 30 20 DBED CC[C@@H](C#N)NC(=O)CCS(=O)(=O)NCC(=O)NC(C)C 344788771 ROLBYHVXTYKYDO-JTQLQIEISA-N 318.399 -0.761 30 20 DBED CS(=O)(=O)C1(CNC(=O)NCC(=O)NCC#N)CCCC1 347589632 YLQGOPDUGDODCB-UHFFFAOYSA-N 316.383 -0.717 30 20 DBED COC(=O)[C@@H](NC(=O)Cn1c(N)nc(C#N)c1C#N)C(C)C 351560869 TWZWMZMFOHJMCI-NSHDSACASA-N 304.310 -0.478 30 20 DBED C=C[C@@H](CO)NC(=O)C(=O)Nc1ccccc1-n1ccnn1 354559247 BOUJUNARHICTMP-JTQLQIEISA-N 301.306 -0.131 30 20 DBED C=C[C@@H](CO)NC(=O)CNC(=O)c1c[nH]c2ccccc2c1=O 356878484 WGFOMYVSWNWPLA-JTQLQIEISA-N 315.329 -0.079 30 20 DBED Cc1onc(CC(=O)NCCNC(=O)c2cc[nH]n2)c1C#N 357456837 MVOBWCWMIWRJAY-UHFFFAOYSA-N 302.294 -0.334 30 20 DBED COc1ccccc1CN(CCO)C(=O)NCC(=O)NCC#N 358278025 QQPLSKFLKIQUIA-UHFFFAOYSA-N 320.349 -0.161 30 20 DBED C=CC[C@H](CC)NC(=O)C(=O)Nc1cc(C)n(CC(=O)NC)n1 440264039 DAFPPHKZBDPWSM-NSHDSACASA-N 321.381 0.347 30 20 DBED CN(C[C@@H](O)CN1CCOCC1)S(=O)(=O)CCCC#N 443353794 HGKKFYGJNLRMET-GFCCVEGCSA-N 305.400 -0.755 30 20 DBED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)CC(N)=O)cc1 491675150 TXVJNBJMJPRZDB-JTQLQIEISA-N 323.374 -0.408 30 20 DBED CN1CCNC[C@@H]1CNS(=O)(=O)c1ccc(C#N)cc1F 566224385 NEWJYDXJTYRFAH-LLVKDONJSA-N 312.370 -0.121 30 20 DBED C[C@H](C#N)CN(C)C(=O)C(=O)N1CCN(C[C@H]2CCCO2)CC1 590974762 OYIXQSLFISVVKO-ZIAGYGMSSA-N 322.409 -0.072 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)NCC2(N3CCOCC3)CC2)C1 592016606 LQHWUKWZKXSEMK-OAHLLOKOSA-N 308.382 -0.089 30 20 DBED CN(C[C@H](O)CNc1cc(C#N)cnn1)c1cc(C#N)cnn1 596241865 ITIVXHKECXBSSU-GFCCVEGCSA-N 310.321 -0.081 30 20 DBED CCOC(=O)[C@@H](CO)NC[C@H](O)COc1ccccc1C#N 600737672 ICOMUARAPGXEKF-QWHCGFSZSA-N 308.334 -0.188 30 20 DBED COCCN1CCC[C@@H](Nc2c(C#N)c(=O)n(C)c(=O)n2C)C1 609269370 ZUBXUZXWQUAJGT-LLVKDONJSA-N 321.381 -0.522 30 20 DBED C=CC[C@H]1CCCN(C(=O)C(=O)N2CCO[C@H](C(=O)NC)C2)C1 658688403 NBQJLTMQVXRFFR-STQMWFEESA-N 323.393 -0.226 30 20 DBED C=C[C@H](CO)NC(=O)N[C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O 664265946 WZPWKLLDHGGTBA-HOSYDEDBSA-N 307.354 -0.240 30 20 DBED C=C[C@H](O)C(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 667117223 ROKUQQQNGPMNIF-SRVKXCTJSA-N 303.380 -0.272 30 20 DBED C=C[C@H](O)C(=O)NCc1ccc([C@]2(C)NC(=O)NC2=O)cc1 667894975 HXEVDJGXDMEGMK-NHYWBVRUSA-N 303.318 -0.096 30 20 DBED COc1ccccc1C(=O)NCC(=O)OCC(=O)NCC#N 731238320 WQXXPVQHVHCCLZ-UHFFFAOYSA-N 305.290 -0.392 30 20 DBED C#CCCCNC(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1 746313870 OYQMULOCNZJOFA-UHFFFAOYSA-N 313.335 -0.814 30 20 DBED COCCN1CCN(C(=O)C(=O)Nc2cnn(CC#N)c2)CC1 746432515 NVKHEQOWDRXDRS-UHFFFAOYSA-N 320.353 -0.864 30 20 DBED CCOCCOC1CN(C(=O)C(=O)Nc2cnn(CC#N)c2)C1 785319364 PHLNHCKYFYLONV-UHFFFAOYSA-N 321.337 -0.391 30 20 DBED C[C@@H](C=NNC(=S)NCC(N)=O)NC(=O)OC(C)(C)C 799109332 CRHWSSINYAGGEJ-ZETCQYMHSA-N 303.388 -0.165 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(CCO[C@@H](C)C#N)c1=O 801655979 QDZGXULPWHFLTL-NSHDSACASA-N 306.322 -0.528 30 20 DBED O=C(N[C@H]1CCCN(O)C1=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 816756323 VILKSHXTWHPIFW-WPRPVWTQSA-N 307.310 -0.741 30 20 DBED CNS(=O)(=O)c1cc(C(=O)N[C@H]2CCCN(O)C2=O)co1 816758405 OTQYDLSHCONYQQ-QMMMGPOBSA-N 317.323 -0.702 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CC[C@](C)(C(=O)O)C1)[C@H]1CCCO1 817111678 IEIWMTQWECUOLU-RWSFTLGLSA-N 308.334 -0.393 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N1CCO[C@@H](C(=O)O)C1 819720294 SWBCGSUXRBXXSE-SECBINFHSA-N 306.340 -0.918 30 20 DBED C=CCCn1cc(C(=O)NS(=O)(=O)[C@H](C)COC)nn1 820068674 SLSNFFRXDAHIKK-SECBINFHSA-N 302.356 -0.051 30 20 DBED COCCCOCC(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[nH]1 826156607 LUZJFKCJFRJHBO-UHFFFAOYSA-N 306.286 -0.547 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@@H](OCCN2CCOCC2)C1 826928840 KCAGVNBEKTUKSZ-LSDHHAIUSA-N 310.394 -0.026 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CC[C@@H]2COC(=O)N[C@H]2C1 828395349 KNKLZFBHHOBIKJ-MNOVXSKESA-N 316.383 -0.103 30 20 DBED C=CCn1cc(C(=O)NS(=O)(=O)C2(COC)CC2)nn1 842801158 DSXFLBXPIMPJHY-UHFFFAOYSA-N 300.340 -0.297 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)Cn2nccc2C)CC1 859224696 HHSFXJNAWZUJNE-UHFFFAOYSA-N 317.393 -0.525 30 20 DBED C#CC1(O)CN(C(=O)N[C@H]2CCN(c3cc(C)nn3C)C2=O)C1 893304964 QOZNAXJIUIUEEB-NSHDSACASA-N 317.349 -0.777 30 20 DBED C#CCNCC(=O)NCCCN1C(=O)NC2(CCCCC2)C1=O 912224216 DZEQICHUNRFAAW-UHFFFAOYSA-N 320.393 -0.030 30 20 DBED CN(C)CC#CCNC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O 913515565 CALXKNDBXYLYJW-OAHLLOKOSA-N 306.366 -0.612 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](NC(=O)c2cnc3n2CCOC3)C1 941265082 AINBLYNOMPDSCY-WDEREUQCSA-N 317.349 -0.096 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)c2ccnc(O)c2)C1 944543549 XOFOGDBMUASYOP-JQWIXIFHSA-N 318.333 -0.096 30 20 DBED C#CCN1CC[C@@H](NC(=O)Cn2ccc(O)nc2=O)C[C@H]1C 947509282 CLTSZGQJJLZLNR-VXGBXAGGSA-N 304.350 -0.449 30 20 DBED C[C@H](C#N)C(=O)N1CCC(N(C)C(=O)Cn2ncnn2)CC1 953960444 ORNKMYISVWFEOW-SNVBAGLBSA-N 305.342 -0.718 30 20 DBED CC#CCN1C[C@H](O)[C@H](CNC(=O)c2ccc3nn[nH]c3n2)C1 958121458 GYGRSCVLBOYYQT-MFKMUULPSA-N 314.349 -0.601 30 20 DBED C#CCN1C[C@H](CNC(=O)c2ccnc3c2CC(=O)N3)[C@@H](O)C1 958215521 XAOQNSJNCABFQO-GWCFXTLKSA-N 314.345 -0.768 30 20 DBED C=CCN1C[C@H](CNC(=O)c2cc(=O)c(OC)co2)[C@@H](O)C1 958263570 QYAHQDITDXAWOC-JQWIXIFHSA-N 308.334 -0.143 30 20 DBED C#CCCN1C[C@@H](O)[C@@H](CNC(=O)c2c(C)nn(C)c2OC)C1 958450147 YPZLYUBDHZRYGM-QWHCGFSZSA-N 320.393 -0.217 30 20 DBED C#Cc1cncc(C(=O)NC[C@H]2CN(C(=O)C(N)=O)C[C@H]2C)c1 959571651 AUTYJWKINKMCCT-MFKMUULPSA-N 314.345 -0.628 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H]1CN(C)Cc1nc(=O)n(C)[nH]1 960488330 ATZRXEHMRKQQBJ-QWRGUYRKSA-N 306.370 -0.309 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@@H](NCc2cn(C)nn2)C1 968954627 ODLWZUGOFGBDAY-HIFRSBDPSA-N 316.409 -0.397 30 20 DBED C=C[C@@](C)(CC)C(=O)N1C[C@H](O)[C@H](NC(=O)c2nnn(C)n2)C1 969789646 PEEHMWLXXWFZFU-BFVZDQMLSA-N 322.369 -0.886 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)[nH]1 974041498 SQABKNOBFNHIBX-YTWAJWBKSA-N 315.333 -0.615 30 20 DBED COc1c(O)nc(O)nc1C(=O)N[C@@H]1CN(CC#N)CC1(C)C 977467453 KRAAKMMGRHOHEP-MRVPVSSYSA-N 321.337 -0.140 30 20 DBED CC(=O)N1CC(C(=O)NC[C@@H]2CCN(C(=O)[C@H](C)C#N)C2)C1 983217815 VRDDVUJEIKNBPH-PWSUYJOCSA-N 306.366 -0.411 30 20 DBED C#CCN[C@H]1C[C@@H](C)N(C(=O)CN2CCCCS2(=O)=O)C1 989196339 UMGJOGXJTKUNFR-OLZOCXBDSA-N 313.423 -0.376 30 20 DBED C=CCn1cc(C(=O)N2CC[C@@H](NC(=O)C3CC3)[C@@H](O)C2)nn1 991162380 LYKAFNYBRVDITG-YPMHNXCESA-N 319.365 -0.434 30 20 DBED COc1cc(OC)nc(C(=O)NC2CN(C(=O)[C@H](C)C#N)C2)n1 995078256 MNMVVRHLTMVKBQ-MRVPVSSYSA-N 319.321 -0.406 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](NCc2nc(=O)n(C)[nH]2)C(C)(C)C1 995562702 OHMUPUOBKKBZRO-NXEZZACHSA-N 306.370 -0.405 30 20 DBED CC(=O)N1CCOC[C@@H]1C(=O)N[C@@H](C)C1CCN(CC#N)CC1 997871823 PHNHXPODXWTPNS-SWLSCSKDSA-N 322.409 -0.026 30 20 DBED COc1nn(C)cc1C(=O)NCC1CN(C(=O)[C@H](C)C#N)C1 1003545699 PIAHCOYILRYIQZ-SECBINFHSA-N 305.338 -0.223 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2CCCN(C(=O)C(N)=O)[C@@H]2C)c1 1015213252 LVLHXCRLGILSQC-ZWNOBZJWSA-N 314.345 -0.343 30 20 DBED C#CCN1[C@H]2CC[C@H]1CC(NC(=O)c1cn(CC(N)=O)nn1)C2 1021469746 KGSGNNRIRBEZRL-RYUDHWBXSA-N 316.365 -0.878 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnn3c2CCC3)C1 1024220143 YVOOBKJVCURGSM-IRUJWGPZSA-N 317.349 -0.710 30 20 DBED C=CCCn1cc(C(=O)NC[C@@H]2CCCN2[C@H](C)C(N)=O)nn1 1028192329 KNICAQRKDQGZEP-NEPJUHHUSA-N 320.397 -0.078 30 20 DBED C#CCN1CC[C@@H](CNC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 1028536537 VDLZSUYYNWDUCG-QWHCGFSZSA-N 315.377 -0.166 30 20 DBED C[C@@H](C#N)C(=O)N1CCC([C@@H](C)NCc2nc(=O)n(C)[nH]2)CC1 1029068634 JHLWFMKZIGBMIS-WDEREUQCSA-N 320.397 -0.015 30 20 DBED N#CCN1[C@H]2CC[C@H]1CN(C(=O)CCn1cnccc1=O)C2 1029531786 JLGMAYHPXDCZAU-STQMWFEESA-N 301.350 -0.168 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCC1CN([C@H](C)C(=O)NC)C1 1031742583 LUKXOQFWUKEAET-OCCSQVGLSA-N 306.410 -0.734 30 20 DBED C[C@@H]1CN(C(=O)CN2C(=O)NC(C)(C)C2=O)CC[C@@H]1NCC#N 1036283724 VRJHBDBOGCERLN-MNOVXSKESA-N 321.381 -0.333 30 20 DBED Cn1cnn(CCC(=O)N2CC[C@@H]3[C@@H](CCN3CC#N)C2)c1=O 1036777633 FZYNSHWIDBRZQG-QWHCGFSZSA-N 318.381 -0.582 30 20 DBED C#CCN1CC[C@H]2CN(C(=O)CN3CC(=O)N(C)C3=O)CC[C@H]21 1036868685 QXXLLQIVZHNTHI-QWHCGFSZSA-N 318.377 -0.564 30 20 DBED COc1ccc(CN2C[C@H]3C[C@H]2[C@H]3NC(=O)C(N)=O)cc1C#N 1037563474 DZVIAVKDRUANCY-DYEKYZERSA-N 314.345 -0.259 30 20 DBED CC[C@H]1CN(C(=O)c2cn(CC(N)=O)nn2)CC[C@@H]1NCC#N 1037984356 RDNFBDPWRIMGPT-QWRGUYRKSA-N 319.369 -0.883 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@]1(O)CCN(C(=O)CSC)C1 1039576139 MBPAAVLNBOGALB-KGLIPLIRSA-N 316.423 -0.244 30 20 DBED CC(C)C#CC(=O)N1CC[C@](O)(CNC(=O)C(C)(C)C(N)=O)C1 1040121198 YPVRQKFCWQKUFQ-INIZCTEOSA-N 323.393 -0.763 30 20 DBED Cc1n[nH]cc1C(=O)NC[C@]1(O)CCN(C(=O)C#CC2CC2)C1 1040465169 XDWDDPRONSGVCQ-MRXNPFEDSA-N 316.361 -0.175 30 20 DBED O=C(NC[C@]1(O)CCN(C(=O)C#CC2CC2)C1)c1ncccn1 1040674598 XHIYRXGJPXVCDM-MRXNPFEDSA-N 314.345 -0.417 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)CCCCN(C)C)C1 1040758872 CFRHNWIWKZMFSF-BBRMVZONSA-N 324.425 -0.042 30 20 DBED Cc1cc(C#N)nc(N2C[C@@H](O)[C@H](NC(=O)c3cocn3)C2)n1 1040950626 MKYFGZONOMEHLP-ZYHUDNBSSA-N 314.305 -0.376 30 20 DBED N#Cc1cccnc1N1C[C@@H](O)[C@H](NC(=O)[C@@]2(F)CCOC2)C1 1041304401 LKWXUFAKULFGCM-LALPHHSUSA-N 320.324 -0.252 30 20 DBED C=CCN1CC[C@@H](N2CC(N(C)C(=O)c3cn(C)nn3)C2)C1=O 1042684035 CTZQFPWGTMCHFC-CYBMUJFWSA-N 318.381 -0.642 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)CN2CC[C@H](C)C2)C1 1042801178 FSHXFUBDMDPBEC-AWEZNQCLSA-N 321.421 -0.179 30 20 DBED CN(C)CCCCC(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042960978 QVZDVAYSWNMTOU-UHFFFAOYSA-N 321.421 -0.179 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)c2ccnc(C)n2)C1 1043148591 BCWNFPUGENJCFV-UHFFFAOYSA-N 316.361 -0.108 30 20 DBED C#CCC1(C(=O)NCC2(O)CN(C(=O)[C@@H]3CCOC3)C2)CCC1 1043348670 SBQVBGFUZIEHKG-CYBMUJFWSA-N 320.389 -0.094 30 20 DBED Cc1ncc(C(=O)N[C@@H]2CN(c3ccc(C#N)nn3)C[C@@H]2O)[nH]1 1043876957 HOCHNERUDQCBQK-NEPJUHHUSA-N 313.321 -0.641 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)CC2(C)CC2)C1 1043934186 KYQPKMDHWVWBJE-GFCCVEGCSA-N 308.378 -0.096 30 20 DBED C=CCn1cc(C(=O)N(C)C2CN(Cc3n[nH]c(C)n3)C2)nn1 1044021882 AXLAZNFBUAWNHJ-UHFFFAOYSA-N 316.369 -0.153 30 20 DBED C[C@@H](CC(=O)N1CC(O)(CNC(=O)[C@H](C)C#N)C1)n1cccn1 1045553002 ZCZTWDZVWWPJIE-NEPJUHHUSA-N 319.365 -0.317 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]2CC)C1 1046999416 BYOHXEJYUDJONN-JHJVBQTASA-N 308.378 -0.240 30 20 DBED C#CCN1C[C@H]2C[C@@H](NC(=O)Cn3ccc(O)nc3=O)C[C@H]1C2 1047106988 SGNPTUDCMABOQS-YNEHKIRRSA-N 316.361 -0.449 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cnn3cc(C)cnc23)C1 1047550014 JZFFKKBSCYAZDW-KBPBESRZSA-N 313.361 -0.212 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCO2)C1 1048697591 VWZDRSBFYSWJGQ-XUXIUFHCSA-N 324.377 -0.766 30 20 DBED CC(C)C#CC(=O)N(C)[C@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@@H]1O 1048813812 MSAVYLNGVGJNGU-RYUDHWBXSA-N 323.393 -0.813 30 20 DBED COC1CC(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)C#CC3CC3)C2)C1 1048824954 QBXXFJWIIOBVRJ-WUCCLRPBSA-N 320.389 -0.145 30 20 DBED N#CCN1C[C@H]2CN(C(=O)[C@@H]3CCc4nn[nH]c4C3)C[C@H]2C1 1049170273 KUEKOTMOJRMQEL-UTUOFQBUSA-N 300.366 -0.177 30 20 DBED C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)CN1CCNC(=O)C1 1049638357 LGXCEXAFONMUGH-UONOGXRCSA-N 304.394 -0.883 30 20 DBED C=CCOCC(=O)N1CC[C@H]([C@@H](C)NC(=O)c2nnn(C)n2)C1 1050304173 MUHUIQYTOJVWKJ-MNOVXSKESA-N 322.369 -0.621 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1COCCN1CC(N)=O 1050924376 GGSPBXQCPNFIOB-XQQFMLRXSA-N 311.382 -0.730 30 20 DBED C=CCOCC(=O)N[C@H](C)[C@H]1CCN(C(=O)Cn2cncn2)C1 1051638626 RWQDIXYQISILKT-OLZOCXBDSA-N 321.381 -0.166 30 20 DBED CC(C)C#CC(=O)N1C[C@H](C)[C@H](CNC(=O)Cn2cnnn2)C1 1052529045 HUTRQKQXAKMEHZ-QWHCGFSZSA-N 318.381 -0.457 30 20 DBED C#CCN1CC2(C1)CN(C(=O)CCc1ccncn1)CCO2 1053276722 RUJMSUHMUFDSLT-UHFFFAOYSA-N 300.362 -0.044 30 20 DBED C=C(C)CN1CC2(CC[C@H](CNC(=O)[C@@H]3CN(C)C(=O)N3)O2)C1 1053634519 VKCPEGCSATVSQX-OLZOCXBDSA-N 322.409 -0.064 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)Cc3n[nH]c(C)n3)CO2)C1 1053799241 PTXXBNQYQRTYNJ-GFCCVEGCSA-N 303.366 -0.362 30 20 DBED C=CCN1CC2(C[C@H](NC(=O)c3cn(C)c(=O)nc3O)CO2)C1 1054005818 MSDIRAMLUKTOSA-JTQLQIEISA-N 320.349 -0.755 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@](CO)(NC(=O)Cc2ccon2)C1 1055847110 HNFOXUTUTFGGCW-ABAIWWIYSA-N 320.349 -0.154 30 20 DBED CN(c1nccnc1C#N)[C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 1057017700 JEHONZVGCRWGFI-GXSJLCMTSA-N 315.337 -0.933 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)C[C@H]1COC(=O)C1 1057346384 AEQYLUNSNSIZGQ-WDEREUQCSA-N 311.338 -0.964 30 20 DBED CO[C@H](C)CC(=O)NCCN(CCO)C(=O)c1ccc(C#N)[nH]1 1057367448 ZVYIHTFMEOFVGP-LLVKDONJSA-N 322.365 -0.138 30 20 DBED C#CCO[C@H](C)C(=O)N(CCO)CCNC(=O)Cc1ccc[nH]1 1057584521 MXUFWCNHMWGRAN-CYBMUJFWSA-N 321.377 -0.467 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)[C@H](C)c1cncnc1 1058490070 VFBQWLOTYTVTRX-NWDGAFQWSA-N 319.365 -0.323 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)c1ccncn1 1058501925 KJPVGZGTOJZTBS-UHFFFAOYSA-N 304.350 -0.169 30 20 DBED CN1CC[C@@H](C(=O)N[C@H]2CCN(c3ccc(C#N)nn3)C2)C1=O 1058514590 LRBYNAHOPZBKBX-RYUDHWBXSA-N 314.349 -0.479 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)[C@@H](C)OCC1CC1 1058652693 CKLHPAHKFFRBLD-NWDGAFQWSA-N 311.382 -0.102 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)CCCn1cccn1 1058658587 GOMGQQZIKSXAHL-ZDUSSCGKSA-N 321.381 -0.240 30 20 DBED N#Cc1cnc(N[C@H]2C[C@H](NC(=O)[C@H]3CCNC3=O)C2)cn1 1059364620 AITSDYAHMSSBOA-QXEWZRGKSA-N 300.322 -0.457 30 20 DBED N#Cc1cnc(N[C@H]2C[C@@H](NC(=O)CN3CCOCC3)C2)cn1 1059600746 NCDPQEVJNJSIIW-TXEJJXNPSA-N 316.365 -0.260 30 20 DBED CS(=O)(=O)CC(=O)N1CC[C@@H](CNc2cncc(C#N)n2)C1 1060822674 DBAOBGQCTHLONZ-JTQLQIEISA-N 323.378 -0.347 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC2(CCN(C(=O)C(N)=O)CC2)C1 1060990038 TYSNBACFWKWHKE-AWEZNQCLSA-N 309.366 -0.750 30 20 DBED N#Cc1nccc(N2CCC[C@@H]2CNC(=O)[C@@H]2CCNC2=O)n1 1061422608 MHKCZTNWUDUEHU-GHMZBOCLSA-N 314.349 -0.431 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CN(C(=O)C2CCOCC2)CCO1 1064742582 WNMBUUDXIWWKAA-DGCLKSJQSA-N 309.366 -0.084 30 20 DBED C=CCCC(=O)N1CCO[C@@H](CNC(=O)C[C@@H]2CCC(=O)N2)C1 1064956004 PCVBGLPZFJUULN-STQMWFEESA-N 323.393 -0.035 30 20 DBED CO[C@H](C)C(=O)NC[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)CCO1 1065052264 DAJIAJONCDKHMN-PWSUYJOCSA-N 320.349 -0.122 30 20 DBED C[C@]1(NC(=O)[C@H]2C[C@H]2C(N)=O)CCN(c2ccc(C#N)nn2)C1 1065329729 WKIDOTKEYAPUJL-ZETOZRRWSA-N 314.349 -0.445 30 20 DBED CCC(=O)NCC(=O)NC[C@@H]1CN(C(=O)[C@@H](C)C#N)CCO1 1065556640 JAHJIDGBKUCUAG-WDEREUQCSA-N 310.354 -0.984 30 20 DBED N#Cc1nccc(N2CC[C@@H]3[C@@H]2CCCN3C(=O)C(N)=O)n1 1066183129 LOSYNEUAHSEMQN-VHSXEESVSA-N 300.322 -0.597 30 20 DBED N#Cc1cccnc1N1C[C@@H](O)[C@@H](CNC(=O)c2ncccn2)C1 1067678997 XUOWGULXZPSKKS-QWHCGFSZSA-N 324.344 -0.030 30 20 DBED Cn1ncc(C(=O)NCC2[C@H]3CN(c4cnc(C#N)cn4)C[C@H]23)n1 1068178515 ZMCZXRCMDNAEKJ-VXGBXAGGSA-N 324.348 -0.411 30 20 DBED C=CCCC(=O)N1CC2(C1)CN(C(=O)[C@H](C)NC(C)=O)CCO2 1068289037 VMCFNVSTDLJOLE-LBPRGKRZSA-N 323.393 -0.083 30 20 DBED C=CCOCC(=O)N[C@@H]1COC2(C1)CN(C(=O)[C@H](C)C#N)C2 1068764359 OZWWKGVYDOHITK-NEPJUHHUSA-N 307.350 -0.165 30 20 DBED CN(C(=O)c1cnn(C)n1)C1CC(N=c2cc[nH]c(C#N)n2)C1 1069755099 REBXEQRUPXTFOI-UHFFFAOYSA-N 312.337 -0.386 30 20 DBED Cc1nc(O)[nH]c1C(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1 1069953478 HIQQZYMMXXFBNL-ZJUUUORDSA-N 316.325 -0.806 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CCCN(C(=O)[C@@H]2COCCO2)C1 1070457956 IMUYGTXFYDJMSO-KGLIPLIRSA-N 306.362 -0.078 30 20 DBED C#CCN[C@@H]1CN(C(=O)Cn2cccn2)C[C@H]1c1cn(C)cn1 1070468623 JIUYUVNIYJTEOX-DZGCQCFKSA-N 312.377 -0.166 30 20 DBED C=CCOCC(=O)N1CCC[C@@H](NC(=O)Cn2cncn2)C1 1070552109 DHURQWSOFPHZQS-GFCCVEGCSA-N 307.354 -0.412 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)c4nnn(C)c4C)C[C@@]3(C1)O2 1070779883 KNGWKMVZCFKUCI-XJKCOSOUSA-N 315.377 -0.328 30 20 DBED N#CCN1C[C@H]2C[C@H]3CN(C(=O)c4c[nH]c(=O)cn4)C[C@@]3(C1)O2 1070844446 CRFCUKPRZXWJKY-FIXISWKDSA-N 315.333 -0.791 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)c4cnn(C)n4)C[C@@]3(C1)O2 1070867101 FQSUURHWYXSBQD-YWPYICTPSA-N 301.350 -0.636 30 20 DBED Cn1cncc1CC(=O)N1C[C@H]2C[C@@H]3CN(CC#N)C[C@]2(C1)O3 1070879615 WHYRAYGQEFROEO-XNRPHZJLSA-N 315.377 -0.212 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)[C@H]2CCN(C)C2)CC1 1071021840 IRQSSAJMLWYXHI-AWEZNQCLSA-N 306.410 -0.778 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(C(=O)C2CCC2)C[C@H]1C 1071437216 RNPHRGWQBZMFMY-DGCLKSJQSA-N 305.378 -0.111 30 20 DBED C=CCOCC(=O)N1C[C@@H](C)[C@@H](NC(=O)Cn2nccn2)C1 1071810399 AGGIRSWFLGSYNQ-NEPJUHHUSA-N 307.354 -0.556 30 20 DBED C[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1NC(=O)CNC(=O)C1CC1 1072048464 LKCIFRVDJIWESW-FZMZJTMJSA-N 317.389 -0.111 30 20 DBED C#CCOCCC(=O)N1CCC(C)(NC(=O)CNC(N)=O)CC1 1073026015 ZKNOXDQFXWMORY-UHFFFAOYSA-N 324.381 -0.808 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(C(=O)CC(N)=O)CC1(C)C 1073347593 UCIRRMVWJFBHBB-LLVKDONJSA-N 311.382 -0.192 30 20 DBED CCN1CCO[C@@H](C(=O)NC[C@H]2CN(CC#N)CCCO2)C1 1073895722 ADUAAAIVPSHWNT-UONOGXRCSA-N 310.398 -0.562 30 20 DBED C[C@@H](CCNC(=O)c1c[nH]c(C#N)c1)NC(=O)[C@H]1COC(=O)N1 1076215696 REDRQLRPIMZKHU-GZMMTYOYSA-N 319.321 -0.381 30 20 DBED C#CCOCCC(=O)NCC[C@H](C)NC(=O)[C@@H]1CCCNC1=O 1076506106 LINCEXIJHGVUJR-QWHCGFSZSA-N 323.393 -0.437 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3ncncc3C2)C1 1077119829 YYTNJAQXQZCKGG-NILFDRSVSA-N 300.362 -0.624 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2cncc(N3CCCC3)n2)C1 1077783415 FVDNKZRKZHKVAG-ZIAGYGMSSA-N 315.377 -0.515 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)c2cccn3c(O)nnc23)C1 1077995476 BBLNIAQZKNWHJZ-VXGBXAGGSA-N 315.333 -0.767 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C1(C(N)=O)CC1 1078112876 MIPRSQTWCINVCG-TUAOUCFPSA-N 323.393 -0.146 30 20 DBED C#CCN[C@H]1C[C@H](NC(=O)CN2CCC(=O)NC2=O)C12CCC2 1078773843 OOSQXUHQOJVALK-RYUDHWBXSA-N 318.377 -0.422 30 20 DBED C#CCN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)c1cn(C)c(=O)cn1)C2 1079000155 FRFRAQNEHHOHAZ-YRGRVCCFSA-N 300.362 -0.004 30 20 DBED N#CCN1CCC2(CC1)CN(C(=O)CC(N)=O)[C@@H]1COC[C@@H]12 1079230313 WHMHIWFJTQAKSX-NWDGAFQWSA-N 306.366 -0.675 30 20 DBED C=C(C)CN1C[C@@H](NC(=O)CN2CCN(C)C(=O)C2)[C@H](C)C1 1079990538 HAHFDMXKBPNSOJ-ZIAGYGMSSA-N 308.426 -0.227 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2ccon2)C1 1081304682 GZTKSCUPVLZGCC-ZYHUDNBSSA-N 309.322 -0.574 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@H]1O 1081466278 QWXICNBLSKVVSL-VXGBXAGGSA-N 323.393 -0.907 30 20 DBED C=CCC(C)(C)C(=O)NC[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1O 1081491862 SDIXHGPVXRAIFE-MNOVXSKESA-N 321.381 -0.044 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2cncn2C)C1 1081582485 INFXANNNCBDIDC-TZMCWYRMSA-N 318.377 -0.371 30 20 DBED C=CCCN1C[C@@H](NC(=O)[C@H]2CCCS2(=O)=O)[C@H](OC)C1 1082378445 JCZPNHMTYPQMAL-JHJVBQTASA-N 316.423 -0.045 30 20 DBED N#Cc1cc(C(=O)N2CCO[C@@H]3CN(CCCO)C[C@@H]32)c[nH]1 1083057303 BAGLVEWPNSGKJN-UONOGXRCSA-N 304.350 -0.206 30 20 DBED C=CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)C[C@@H]1NC(=O)NC1=O 1083108571 DAYZNURSJNFJHQ-SDDRHHMPSA-N 322.365 -0.928 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2ccc(Cn3cccn3)o2)C1 1083480908 IEQIAMQXNOOBDH-OLZOCXBDSA-N 315.333 -0.177 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)c2cc(=O)c(OC)c[nH]2)C1 1083643765 ZKSQWGXAEJNVID-YPMHNXCESA-N 307.350 -0.266 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)c2ccc(CNC(C)=O)o2)C1 1083865730 UMTHQSVQYPYJKB-KGLIPLIRSA-N 319.361 -0.286 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](NC(=O)C[C@@H]2CC(=O)NC2=O)C1 1084129088 GDEAWHUQQGNQTQ-UTUOFQBUSA-N 309.366 -0.833 30 20 DBED N#CCN[C@H]1C[C@H](CNC(=O)[C@]23C[C@H]4C[C@@H](C(=O)N2)[C@H]3C4)C1 1086410938 MGYJVOUQNLQLIR-IBLCTQAQSA-N 302.378 -0.091 30 20 DBED N#CCN1C[C@H]2CC[C@H]1[C@@H]1CN(C(=O)Cn3nccn3)C[C@H]21 1087361655 GQRLTBULRGLRNZ-SYQHCUMBSA-N 300.366 -0.030 30 20 DBED C=CCn1cc(C(=O)N2C[C@H]3CCN(CC(N)=O)C[C@H]3C2)nn1 1088132938 LLJPEXRMLCBINI-NEPJUHHUSA-N 318.381 -0.657 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2nnc3ccccc3n2)[C@@H](O)C1 1090434554 ZTGRTKNSMOXVQJ-KGLIPLIRSA-N 311.345 -0.177 30 20 DBED CN(C)CCCC(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@H]1O 1090523054 ZLMFMEYLVJOLQI-ZIAGYGMSSA-N 317.393 -0.039 30 20 DBED C=CCCn1cc(C(=O)N[C@H]2CCN(CCO)C[C@H]2O)nn1 1090637921 MTFOYUXRMCWJDH-WCQYABFASA-N 309.370 -0.989 30 20 DBED C[C@H](NC(N)=O)C(=O)N1C[C@@H](Nc2ccc(C#N)nn2)[C@H](C)C1 1090967513 BILFGUOCOZFUMF-WCABBAIRSA-N 317.353 -0.336 30 20 DBED CC[C@H](OC)C(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1091088144 XWIVWLXHFHAPQI-WOPDTQHZSA-N 305.338 -0.561 30 20 DBED C=C(C)CN1C[C@@H]2CN(C(=O)CN3CC(=O)NC3=O)C[C@]2(C)C1 1092102914 FVOUJDJUDVQWBY-WBMJQRKESA-N 320.393 -0.105 30 20 DBED CN1CCCC[C@@H](C(=O)NCCN=c2cc[nH]c(C#N)n2)C1=O 1093759942 GRPMKMYNCYSPNZ-NSHDSACASA-N 316.365 -0.443 30 20 DBED CC(=O)N1CCO[C@H](C(=O)NCCNc2ncccc2C#N)C1 1093798924 GMTGXGZFHPFLJD-ZDUSSCGKSA-N 317.349 -0.271 30 20 DBED CCN1CCO[C@@H](C(=O)NCCCNc2cnc(C#N)cn2)C1 1094446416 CANNYRYCGFKCQO-CYBMUJFWSA-N 318.381 -0.013 30 20 DBED CCn1nccc1C(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1 1094731398 NHNOQGNFPAFXGW-NSHDSACASA-N 316.365 -0.559 30 20 DBED C[C@H](C#N)C(=O)NC1CCN(c2nccn3nnnc23)CC1 1095399102 OIWPOFWORXQZIN-SECBINFHSA-N 300.326 -0.236 30 20 DBED COC(=O)NCC(=O)N[C@@H]1CCCN(c2ccc(C#N)nn2)C1 1096137370 BIDLBFXOBAZWAS-LLVKDONJSA-N 318.337 -0.211 30 20 DBED CCC(=O)N[C@@H](C)C(=O)N[C@H]1CCN(c2ccc(C#N)nn2)C1 1096493871 CTHCGHPBUSTQJQ-JQWIXIFHSA-N 316.365 -0.042 30 20 DBED CCS(=O)(=O)CC(=O)N[C@H]1C[C@@H](Nc2ccc(C#N)nn2)C1 1097191622 UVANKGBYZVQMCQ-PHIMTYICSA-N 323.378 -0.158 30 20 DBED CNC(=O)NC(C)(C)C(=O)NC[C@@H](C)Nc1ccc(C#N)nn1 1097890785 XYARSNJFNCPKRF-SECBINFHSA-N 319.369 -0.028 30 20 DBED CCN1CCOC[C@@H]1C(=O)NC[C@H](C)N=c1cc[nH]c(C#N)n1 1098129153 WKEUGROXZOXJMJ-NWDGAFQWSA-N 318.381 -0.593 30 20 DBED CN1CC[C@@H](C(=O)N2CCC(N(CC#N)CCO)CC2)CC1=O 1098408254 LXLXAVCSQHOJRH-CYBMUJFWSA-N 322.409 -0.336 30 20 DBED CC#CCN(CCO)C1CCN(C(=O)[C@H](COC)OC)CC1 1098473244 XPOWOGXIFCFDEZ-HNNXBMFYSA-N 312.410 -0.044 30 20 DBED C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)CC2(CCN(CC#N)CC2)O1 1098639450 XCKUKDGBUZNHSB-UPJWGTAASA-N 320.393 -0.287 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)CC(F)(F)F)[C@H](O)C1 1099712917 RDGHFANBEJPNSL-VHSXEESVSA-N 321.299 -0.760 30 20 DBED O=C(C#CC1CC1)N[C@H]1CCN(CCN2CCCC2=O)C[C@H]1O 1099827327 VRECKVVZYUSBNS-LSDHHAIUSA-N 319.405 -0.426 30 20 DBED C#CCN1CC[C@H](NC(=O)CCCNC(=O)C2CC2)[C@H](O)C1 1099864754 UOCOJFOZIGPUDW-UONOGXRCSA-N 307.394 -0.523 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CCCn2ccnn2)[C@@H](O)C1 1099868735 DOQVKCOLVJKVJR-KGLIPLIRSA-N 305.382 -0.367 30 20 DBED N#CCN1CC[C@@H](NC(=O)CCCCc2cnn[nH]2)[C@H](O)C1 1099933668 SAUUZTYJCXMXJR-CHWSQXEVSA-N 306.370 -0.408 30 20 DBED COCC#CCN1CC[C@H](NC(=O)[C@@H]2[C@H]3COC[C@H]32)[C@@H](O)C1 1099949088 LXBYSTXHTLKHKN-AIEDFZFUSA-N 308.378 -0.920 30 20 DBED C=CCCCC(=O)N[C@H]1CCN(CCN2CCNC2=O)C[C@H]1O 1099976667 PVJXIEMLYOXTCL-UONOGXRCSA-N 324.425 -0.081 30 20 DBED CN(CCNC(=O)[C@H]1CCC(=O)NC1)c1cncc(C#N)n1 1100403969 GMRPYOSQVJDDBV-JTQLQIEISA-N 302.338 -0.573 30 20 DBED COC(=O)NCC(=O)NC[C@H]1CCN(c2ccnc(C#N)n2)C1 1100948267 MAVZCTDENMSIFX-SNVBAGLBSA-N 318.337 -0.353 30 20 DBED CC(C)C#CC(=O)N1C[C@H]2CN(CC(=O)NC(N)=O)C[C@@]2(C)C1 1101229902 OLHRJQVJIBFNKN-WBMJQRKESA-N 320.393 -0.379 30 20 DBED C#CCNC(=O)CC(=O)N(C)CCN=c1cc(C)[nH]cc1C#N 1101551834 GWEFXTRUWSWQGO-UHFFFAOYSA-N 313.361 -0.307 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)c2n[nH]cc2F)C1 1102331456 BKCWLYSYIHCYFE-GHMZBOCLSA-N 321.356 -0.404 30 20 DBED CC(=O)NCC(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(C#N)n1 1102535370 WQRGUDLWOXGWBT-RYUDHWBXSA-N 300.322 -0.726 30 20 DBED CC[C@@H](CNC(=O)Cn1nccn1)Nc1nccnc1C#N 1103214183 KPVJXAPNJBFJDM-JTQLQIEISA-N 300.326 -0.053 30 20 DBED C[C@@H](CNc1nccnc1C#N)N(C)C(=O)CN1CCOCC1 1104526838 HWEWBKAJGXQSGL-LBPRGKRZSA-N 318.381 -0.061 30 20 DBED C#CCCNCc1cn(C2CN(C(=O)c3ccnn3C)C2)nn1 1105181238 FEXWMEDCLURABS-UHFFFAOYSA-N 313.365 -0.178 30 20 DBED C=C(C)CNCc1cn(C2CN(C(=O)[C@H]3CCC(=O)N3)C2)nn1 1105189663 JKKCCSCISYOOJL-CYBMUJFWSA-N 318.381 -0.394 30 20 DBED C#CCCNCc1cn(C2CN(C(=O)[C@H](O)C(C)C)C2)nn1 1105227644 RLUVBQAPVXSJFX-CQSZACIVSA-N 305.382 -0.209 30 20 DBED N#Cc1cncc(NC[C@H](O)CNC(=O)c2ccc(O)nn2)n1 1105734947 HQCQLJNFDZLSRC-VIFPVBQESA-N 315.293 -0.953 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)CCn2cncn2)cn1 1105758561 TZVRTULPDJEMCM-CYBMUJFWSA-N 315.337 -0.476 30 20 DBED C#CCCCC(=O)NC[C@H](O)CNc1ncnc2c1nnn2C 1105798893 OGIJRBKRPNLEPS-JTQLQIEISA-N 317.353 -0.549 30 20 DBED N#Cc1nc(=NC[C@H](O)CNC(=O)Cc2cccnc2)cc[nH]1 1105820197 SZQRPSPSLZPOFL-LBPRGKRZSA-N 312.333 -0.703 30 20 DBED CC(C)[C@@H](C(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1)N(C)C 1105917428 IDKBFZJLDXJKFO-FZMZJTMJSA-N 320.397 -0.755 30 20 DBED COCCCOCC(=O)NC[C@H](O)CN=c1cc[nH]cc1C#N 1105960108 YQMYCSZBZHDDTE-CYBMUJFWSA-N 322.365 -0.683 30 20 DBED COC1CC(C(=O)NC[C@@H](O)CNc2cnc(C#N)cn2)C1 1105997247 MYDGSFALXORAIM-ZYXZCXLHSA-N 305.338 -0.338 30 20 DBED C#CCOCCC(=O)N1C[C@@H](C)[C@H](CN[C@@H]2CCCNC2=O)C1 1106115460 XFQIASBGQVLFOT-RBSFLKMASA-N 321.421 -0.011 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)C[C@@H](C)NC(N)=O)C[C@H]1C 1106126027 JPVKLNVARHOWHS-MGPQQGTHSA-N 324.425 -0.233 30 20 DBED C=CCNC(=O)CNC[C@@H]1CN(C(=O)[C@H](C)CC(N)=O)C[C@H]1C 1106522113 DFNJDRKBKMBYMF-JHJVBQTASA-N 324.425 -0.516 30 20 DBED Cn1ccc(CC(=O)NC/C=C\CN=c2cc[nH]c(C#N)n2)n1 1107165206 OEKRVERQMKLPGR-IHWYPQMZSA-N 311.349 -0.169 30 20 DBED CC(C)(C)C#CC(=O)NCc1cn(C2CN(CCO)C2)nn1 1107171409 XJFXZMRASLSIOJ-UHFFFAOYSA-N 305.382 -0.207 30 20 DBED C[C@H](CN=c1cc[nH]cc1C#N)NC(=O)[C@H]1CCC(=O)NC1 1108204175 SURDOVXNBWZBNG-MNOVXSKESA-N 301.350 -0.182 30 20 DBED C=CCCN1CC(N2C[C@H](NC(=O)CNC(=O)CC)CC2=O)C1 1108525653 OHJNGMOYYJCQLT-GFCCVEGCSA-N 322.409 -0.510 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)CO[C@H]3CCOC3)CC2=O)C1 1108545456 WGJPZLNERLYKBR-JSGCOSHPSA-N 323.393 -0.621 30 20 DBED COCCC[C@@H](C)C(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1 1108584158 BBZLPHRYYNCDBA-CHWSQXEVSA-N 322.409 -0.026 30 20 DBED CC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCNC(=O)COC 1109369484 YGCSXWSLLKFKNQ-RDBSUJKOSA-N 307.394 -0.116 30 20 DBED CN1C[C@H](C(=O)N(C)CCCNc2nccnc2C#N)NC1=O 1109578531 GYHXRFAXACPADU-LLVKDONJSA-N 317.353 -0.368 30 20 DBED N#Cc1nccc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)CCn2ccnn2)n1 1109697485 JPENLEQZRQMYSU-JRPNMDOOSA-N 324.348 -0.277 30 20 DBED N#Cc1nccnc1NC[C@H](NC(=O)[C@@H]1CNC(=O)N1)C1CC1 1109963671 MHHPYVUCPDRQOH-QWRGUYRKSA-N 315.337 -0.664 30 20 DBED C[C@H](CC(N)=O)C(=O)NCC1(Nc2ccc(C#N)nn2)CC1 1110298102 GQXDPJMCQMMOFI-SECBINFHSA-N 302.338 -0.080 30 20 DBED CC(=O)NCC(=O)NC1(C)CCN(c2cnc(C#N)cn2)CC1 1110567510 VJCZRKNPOQVNCV-UHFFFAOYSA-N 316.365 -0.041 30 20 DBED Cc1cc(C#N)nc(NCCN(CCO)C(=O)c2cnon2)n1 1111494903 OOYNAZCVQVTOSJ-UHFFFAOYSA-N 317.309 -0.414 30 20 DBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cn1ccnc1 1111501580 NWNWCMBKQZOCON-MCIONIFRSA-N 317.393 -0.093 30 20 DBED CCOCC(=O)NC[C@H]1COCCN1c1ccc(C#N)nn1 1111651308 QNVXCMIEHOOGDP-LBPRGKRZSA-N 305.338 -0.294 30 20 DBED CN(CCCN(C)c1ccnc(C#N)n1)C(=O)[C@H]1C[C@H]1C(N)=O 1112176729 VOUOAIZEXOZAKW-MNOVXSKESA-N 316.365 -0.246 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)[C@H]2C[C@H]3C=C[C@H]2C3)CC1 1112601235 KEEWLSQEVMZEFZ-IHRRRGAJSA-N 302.378 -0.017 30 20 DBED CCCOCC(=O)NC[C@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1112708835 AEPXZRSKNFVFCG-AAEUAGOBSA-N 319.365 -0.312 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)C[C@@H]2CCC(=O)NC2)CC1 1112958829 OJAIGPBIDJPONQ-ZDUSSCGKSA-N 322.409 -0.651 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)C2(N(C)C)CCC2)CC1 1112961773 NIWCHEDHZCVVPI-CQSZACIVSA-N 320.437 -0.247 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)c2cncnc2O)CC1 1112996544 XNJOWEZZCOUFJG-UHFFFAOYSA-N 305.338 -0.758 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)c2cnn(C)n2)CC1 1113428965 CAGXIOQFWZJRSO-NSHDSACASA-N 306.370 -0.736 30 20 DBED COCCOCC(=O)NC[C@H](C)N(C)c1ccc(C#N)nn1 1113539703 UEHVFLCKUFSAFX-NSHDSACASA-N 307.354 -0.048 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCC(=O)N1)N(C)c1cncc(C#N)n1 1113542467 BGBVBSLNLIEEQV-GXSJLCMTSA-N 302.338 -0.432 30 20 DBED C[C@@H](C(=O)N1CCN(CC(=O)NCC#N)CC1)C1CCOCC1 1113741827 FIFILCKOSJYFNX-CYBMUJFWSA-N 322.409 -0.167 30 20 DBED C[C@H](CNC(=O)[C@H]1CN(C)C(=O)N1)N(C)c1ccnc(C#N)n1 1113802628 QJAVJVCPPXVUFU-NXEZZACHSA-N 317.353 -0.687 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)N(C)c1ccnc(C#N)n1 1113802629 QJAVJVCPPXVUFU-UWVGGRQHSA-N 317.353 -0.687 30 20 DBED Cc1cc[nH]c1C(=O)NC1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]12 1114200931 GUWOIPVOXUIZGU-GHMZBOCLSA-N 301.350 -0.377 30 20 DBED Cc1ncn(C)c1C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1114431990 WSEPFPLYRJXCFI-PJXYFTJBSA-N 316.365 -0.972 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)Cn3cncc3C)[C@@H]2C1 1114562455 HOLSTMYRUFLEEG-ZIAGYGMSSA-N 302.378 -0.112 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@@]34CCC[C@@H]3C4)[C@H]2C1 1114596891 FSTNIIPCBGPJND-PKLKDMKISA-N 301.390 -0.028 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)CCN3CCCC3=O)[C@H]2C1 1115256528 WAOKPHKZLTXQEY-HALDLXJZSA-N 319.405 -0.305 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@H]1[C@@H]2CN(Cc3cn(C)nn3)C[C@@H]21 1115333262 VMJMNFYVZXZBEE-SCUASFONSA-N 305.382 -0.047 30 20 DBED Cc1nnc([C@@H](C)NC(=O)C(=O)N2CC[C@](O)(CC#N)C2)s1 1118157644 IBWYZSPVZMKETB-AMIZOPFISA-N 323.378 -0.099 30 20 DBED N#Cc1ccc(CCNC(=O)C(=O)N2C[C@@H](O)[C@@H](CO)C2)cc1 1118529307 ZDDXPRIHYZYKBF-ZIAGYGMSSA-N 317.345 -0.971 30 20 DBED Cc1cc(C(=O)NC[C@@H](CO)N=c2cc[nH]c(C#N)n2)n[nH]1 1121120712 UDOSBHXHHBXCEC-VIFPVBQESA-N 301.310 -0.996 30 20 DBED COCC[C@@H](C)C(=O)NC[C@H](CO)Nc1ccc(C#N)nn1 1121607171 NARUMEILUVSGBO-ZYHUDNBSSA-N 307.354 -0.090 30 20 DBED C#CCOCCC(=O)NC[C@@H](CO)Nc1nccc(OC)n1 1122029561 VMANYGMGXKJOFA-NSHDSACASA-N 308.338 -0.586 30 20 DBED COC[C@H](OC)C(=O)NC[C@@H](CO)Nc1ncccc1C#N 1122466053 KYDPEWOWGCGUPT-RYUDHWBXSA-N 308.338 -0.496 30 20 DBED C[C@H]1CCN(CC(=O)NC[C@H](CO)N=c2cc[nH]cc2C#N)C1 1122528580 VSTQIPPKQDIQAY-GXTWGEPZSA-N 317.393 -0.394 30 20 DBED C=CCOCC(=O)N(C)C[C@H](O)CNc1nccc(OC)n1 1124196205 IZIXBSMTTLKESL-LLVKDONJSA-N 310.354 -0.081 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C[C@H](O)CNc1ccc(C#N)nn1 1124520876 XDWNTQJFTFKDBL-WCQYABFASA-N 317.349 -0.382 30 20 DBED CN(C[C@H](O)CNc1cncc(C#N)n1)C(=O)[C@@H]1[C@H]2COC[C@H]21 1124654732 VTUVYAMXJDWQSZ-NMKXLXIOSA-N 317.349 -0.528 30 20 DBED C#CCOCCC(=O)N(C)C[C@@H](O)CN(C)c1ncccn1 1125162592 SAYIGAGGUHQFLU-CYBMUJFWSA-N 306.366 -0.228 30 20 DBED CC(C)(C)c1[nH]cnc1C(=O)NCCNCC(=O)NCC#N 1127659842 NKDJSBBAZQPTPO-UHFFFAOYSA-N 306.370 -0.334 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)CCc1cnn(C)c1C 1128346823 YFOPYSXJAOTNHC-LBPRGKRZSA-N 319.409 -0.495 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCN[C@H](C)c1nncn1C 1129771074 QEJNBIPGYMJJFE-OLZOCXBDSA-N 304.398 -0.321 30 20 DBED CNC(=O)CN1C[C@H]2C[C@H]3CN(C(=O)C#CC(C)C)C[C@@]3(C1)O2 1131231027 SDGSRYXADIOXAI-JJRVBVJISA-N 319.405 -0.307 30 20 DBED C#CCNC(=O)CN1C[C@H](NC(=O)c2cnsn2)CC[C@H]1C 1131840065 ZHVDXQVCOHZAPD-GHMZBOCLSA-N 321.406 -0.130 30 20 DBED C=CCN1C[C@@H](NC(=O)CNS(=O)(=O)NC)CC[C@@H]1C 1132210256 FNDBSVHULOFMNJ-QWRGUYRKSA-N 304.416 -0.805 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1ccc2c(c1)CCO2 1134220523 RFIJUEZIKUFGMI-UHFFFAOYSA-N 302.334 -0.419 30 20 DBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCNCC(=O)NCC#N 1135058597 XIYFDIYVZLTKKM-JSGCOSHPSA-N 308.382 -0.297 30 20 DBED C#CCCN[C@@H](C)C[C@H](C)NC(=O)CS(=O)(=O)N(C)C 1136063352 PBKGEZZJZCFWRV-RYUDHWBXSA-N 303.428 -0.226 30 20 DBED COCC#CCN1CCC2(C1)CN(C(=O)[C@@H]1CCCNC1=O)C2 1147747801 GRRZFCHBFZSBPJ-CQSZACIVSA-N 319.405 -0.303 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CN(Cc2cn(C)nn2)CCCO1 1149405738 DJLXWXPOIKEFTD-DGCLKSJQSA-N 306.370 -0.318 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)[C@@H](CC(C)C)C(N)=O)C1 1150831300 LHWTUPCKKVQAFV-KBPBESRZSA-N 309.410 -0.026 30 20 DBED C#CCN1CCC(C(=O)NCCNCC(=O)NC(C)(C)C)CC1 1152330810 VUCZLTHIBJYPAO-UHFFFAOYSA-N 322.453 -0.048 30 20 DBED C=CCO[C@@H](C)C(=O)NCCNC[C@@H](C)CS(C)(=O)=O 1153160268 PSTIIVYJQJJWHE-NEPJUHHUSA-N 306.428 -0.036 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)c1csnn1 1154492193 GHMBLMKHUJFECH-SNVBAGLBSA-N 309.395 -0.272 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)CCn2cncn2)C1=O 1154696546 RBSVDQLDWDENOJ-CYBMUJFWSA-N 320.397 -0.449 30 20 DBED COCCOC[C@@H](O)CNCCCNC(=O)CSCC#N 1154814435 IZWSSLWGXVPHGM-LBPRGKRZSA-N 319.427 -0.637 30 20 DBED C#CCNC(=O)CC(=O)NCCCN[C@H](C)c1nnc(C)o1 1156852737 MPCNCYIWHRHEGV-SNVBAGLBSA-N 307.354 -0.326 30 20 DBED C#CCCN(CC)[C@H](C)CNC(=O)[C@H]1CCS(=O)(=O)N1 1156961465 SLTANWIZFLFCPP-VXGBXAGGSA-N 301.412 -0.472 30 20 DBED C=CCNCC1(CCNC(=O)CN2CCN(C)C(=O)C2)CC1 1165878566 KAIZCZZXLYMRDZ-UHFFFAOYSA-N 308.426 -0.178 30 20 DBED N#CCNC(=O)CNCC1(CCNC(=O)c2csnn2)CC1 1166430599 GYTPDEIQAQQHDQ-UHFFFAOYSA-N 322.394 -0.332 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)[C@H]1CCCCC(=O)N1 1166463212 UAFVURNYRRXRNS-CHWSQXEVSA-N 322.409 -0.721 30 20 DBED N#CCNC(=O)CNCC1(CCNC(=O)[C@@H]2[C@H]3COC[C@H]32)CC1 1166730510 YXWSQVYTTSKCNE-IMRBUKKESA-N 320.393 -0.605 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCC[C@H](C)NC(=O)CC(=O)NC 1170336872 DXXSLKYRNIOGOG-QWHCGFSZSA-N 324.425 -0.475 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)CCc1cncn1C 1175011998 SYJRLDYFYVXIDW-ZDUSSCGKSA-N 319.409 -0.414 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H]2OCCN(CC=C)[C@H]2C1 1176983731 YNUITZRMLNUVTK-UONOGXRCSA-N 305.378 -0.386 30 20 DBED COCC#CCNCCCCCCNC(=O)[C@H](C)NC(N)=O 1178303493 CKEPWSVDYBMFHO-ZDUSSCGKSA-N 312.414 -0.041 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2cnnn2C)C1 1182257926 FDDZCHBSJBYOMG-GHMZBOCLSA-N 306.370 -0.690 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2cnn(C)c2CC)C1 1183921406 HYPYEBCRDUFKJA-GFCCVEGCSA-N 317.393 -0.464 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2c(C)cnn2C)C1 1184980933 BIQXPCKBAPCNSG-CHWSQXEVSA-N 317.393 -0.329 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](CNCC(N)=O)C2(CCOCC2)C1 1186311461 UCEJFFLZOZPIAK-NEPJUHHUSA-N 308.382 -0.524 30 20 DBED CC#CCN[C@@H]1CCN(C(=O)CCNC(=O)[C@H]2CCCO2)C1 1188421853 KDBXBGBFHYULHB-ZIAGYGMSSA-N 307.394 -0.115 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2cncnc2)C1 1189760987 SOUFTJJGHXAKQW-CYBMUJFWSA-N 301.350 -0.628 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)CC2OCCCO2)C1 1189817054 DSRYZQGOFZJKEU-ZDUSSCGKSA-N 323.393 -0.578 30 20 DBED C=CCNC(=O)[C@@H](C)N(C)[C@@H]1CCN(C(=O)c2cnn(C)n2)C1 1192847890 UCPZFPJKNJCMGV-VXGBXAGGSA-N 320.397 -0.348 30 20 DBED CCN(C)C(=O)CN1C[C@@H](O)[C@H](NC(=O)C#CC(C)(C)C)C1 1192870674 GMIJOHVNPXBTMK-CHWSQXEVSA-N 309.410 -0.325 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(CC2CCOCC2)C[C@H]1O 1192878523 HDDAPYKMWDGLGS-HUUCEWRRSA-N 310.394 -0.386 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)C23CCCN2CCC3)C1 1194400031 YSFGVKPCHLUUTQ-HUUCEWRRSA-N 323.437 -0.021 30 20 DBED C=CCC1(C(=O)N[C@@H]2CN(Cc3nc(O)n[nH]3)C[C@H]2O)CCC1 1195897053 MRRWONRTJYKNGM-GHMZBOCLSA-N 321.381 -0.082 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)c2cn(CCC)nn2)C1 1197289165 PNDGMPLOPBESDZ-TZMCWYRMSA-N 323.397 -0.334 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)CS(=O)(=O)CCCCC)C1 1197723934 LTOOUHRGGSIWKT-CHWSQXEVSA-N 318.439 -0.061 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)CS(=O)(=O)C(C)(C)C)C1 1197799068 DTKWQNNASWKCJV-VXGBXAGGSA-N 316.423 -0.616 30 20 DBED CCN1CCCC[C@H]1C(=O)N[C@@H]1CN(CC#CCOC)C[C@H]1O 1199103628 BFEPLKHJHFPFDI-OWCLPIDISA-N 323.437 -0.328 30 20 DBED C=CCCCN1C[C@@H](O)[C@H](NC(=O)c2cn(C)c(=O)n2C)C1 1199145303 GUDSAMNAVHHNQV-DGCLKSJQSA-N 308.382 -0.535 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)C(C)(C)CS(C)(=O)=O)C1 1199318384 SHBQMUNFWFVBDP-VXGBXAGGSA-N 316.423 -0.758 30 20 DBED N#CCNC(=O)CNC1CCN(C(=O)CO[C@@H]2CCOC2)CC1 1200541923 UHGGGCFLALPGPT-CYBMUJFWSA-N 324.381 -0.988 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)c2cc(=O)n(C)cn2)CCCO1 1200730246 SNUXTOHTVGHBCX-CYBMUJFWSA-N 318.377 -0.376 30 20 DBED C#CCNC[C@H]1CN(C(=O)c2cc(C(N)=O)cn2C)CCCO1 1200893613 DKDLIVSWXROUIU-ZDUSSCGKSA-N 318.377 -0.422 30 20 DBED C#CCN[C@H]1C[C@H](NC(=O)CCS(=O)(=O)NC)C12CCC2 1202927881 BDVBEHZQAHMTEW-RYUDHWBXSA-N 313.423 -0.424 30 20 DBED CC#CCNCC1CCN(C(=O)CCNC(=O)COC)CC1 1205418520 PCMGRFDDDKABMW-UHFFFAOYSA-N 309.410 -0.009 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)c2snnc2C)C1 1207251857 QNGKCSZSSAKKNT-LLVKDONJSA-N 321.406 -0.210 30 20 DBED C=CCN1C[C@@H](NC(=O)CCc2nnc(O)nc2O)[C@H](C)C1 1207857539 CLMIAVMKEBGUOB-MWLCHTKSSA-N 307.354 -0.162 30 20 DBED CCNC(=O)NC(=O)CN[C@@H]1CCCN(C(=O)C#CC2CC2)C1 1207998939 SHUMZFSEFCDHHX-CYBMUJFWSA-N 320.393 -0.174 30 20 DBED Cc1nnccc1C(=O)N1CCC[C@@H](NCC(=O)NCC#N)C1 1208497660 GCTGWZPBNNFZRF-GFCCVEGCSA-N 316.365 -0.381 30 20 DBED C#CCCN[C@@H]1CCCN(C(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 1208688136 PJUJOXHSAOAXSM-OCCSQVGLSA-N 315.377 -0.031 30 20 DBED Cc1nocc1C(=O)N1CCC[C@@H](NCC(=O)NCC#N)C1 1209374519 MUSOGPLKSXHLDY-LLVKDONJSA-N 305.338 -0.183 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(Cc2cnnn2C)C[C@H]1OC 1212193270 CDGYUBWZLDWEPO-UMVBOHGHSA-N 323.397 -0.542 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)CCN(C)C 1218575187 CHBRRJQMWYMBJU-UONOGXRCSA-N 324.425 -0.848 30 20 DBED C=C(C)C[C@@H](C)C(=O)N[C@@H]1CN(Cc2nc(O)n[nH]2)C[C@@H]1O 1220201358 NRZNIHPEUJXQAI-MXWKQRLJSA-N 309.370 -0.226 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)CO[C@@H](C)c2nccn2C)C1 1220871492 IMWNPTUIJIJTJA-XQQFMLRXSA-N 306.366 -0.708 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)CCS(=O)(=O)N(C)C)C1 1221058235 LUKSCZLMSNHFSQ-NEPJUHHUSA-N 319.427 -0.995 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN([C@@H](C)C(=O)N(C)C)C[C@@H]1O 1221141553 VVKLIKRGJQOIRH-XQQFMLRXSA-N 313.398 -0.783 30 20 DBED C#CCOCCC(=O)N1C[C@H]2CCN([C@@H]3CCCNC3=O)C[C@H]21 1221545000 RLXKGKKHNWQITP-RBSFLKMASA-N 319.405 -0.162 30 20 DBED C=C[C@@](C)(O)CC(=O)NC1CCN(Cc2nnn(C)n2)CC1 1227114064 JERJIAHJHIBWMC-CQSZACIVSA-N 308.386 -0.382 30 20 DBED C#CCN1CCS(=O)(=O)[C@@H](CCNC(=O)[C@H](O)C(C)C)C1 1230459862 KUYOLQONEADDOF-QWHCGFSZSA-N 316.423 -0.758 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@@H]1CN(C)C(=O)CN(C)C(C)=O 1230829126 JSDPPCIREOOOGV-TZMCWYRMSA-N 322.409 -0.865 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)c1ccnc(O)c1 1233610015 DCTRKMITXHRRKM-CYBMUJFWSA-N 316.361 -0.317 30 20 DBED CNC(=O)NC(=O)[C@H](C)N1CC[C@H]1CN(C)C(=O)C#CC1CC1 1234194866 HKLBTDHDEOGYPN-AAEUAGOBSA-N 320.393 -0.223 30 20 DBED COC(=O)c1cnn(C)c1NC(=O)C(=O)NCCCCC#N 1261239317 KYEPADUHSOHDCC-UHFFFAOYSA-N 307.310 -0.045 30 20 DBED CCc1nn(C)cc1NC(=O)C(=O)N1CC[C@](O)(CC#N)C1 1261461154 AKJIPIWZWVKXTD-CQSZACIVSA-N 305.338 -0.202 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)C2CCN(C)CC2)C1 1318351852 XRHNMQGNGZSEMF-CQSZACIVSA-N 308.426 -0.179 30 20 DBED C=CCN(C(=O)[C@@H]1CCC(=O)NC1)[C@H]1CCS(=O)(=O)C1 1321960854 QBSMWLZNMHYYNS-MNOVXSKESA-N 300.380 -0.286 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)NCCC(=O)N[C@@H](C)CC 1321986410 ZOJQQMYCQFLXFD-ZDUSSCGKSA-N 305.378 -0.108 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N[C@@H](C)[C@H](C)N1CCOCC1 1322776444 ITFISVJVVBAKCY-GJZGRUSLSA-N 319.405 -0.303 30 20 DBED C#CCOCCNC(=O)C(=O)N(C)[C@@H](C)CS(=O)(=O)CC 1323027769 VFLBBSJNDNRQOI-NSHDSACASA-N 318.395 -0.966 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CCOC[C@@H]1c1noc(C)n1 1323823470 PKRUQECPNWIRFK-GHMZBOCLSA-N 324.337 -0.405 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N(C)[C@@H](C)CS(C)(=O)=O 1324237148 VZEXKYAODVNRIO-UWVGGRQHSA-N 306.384 -0.805 30 20 DBED N#Cc1ccc(NC(=O)C(=O)NN2CC(=O)NC2=O)cc1Cl 1324858601 OMHLRPIJBBQKQT-UHFFFAOYSA-N 321.680 -0.267 30 20 DBED C=C(C)COCCNC(=O)C(=O)N1CCC[C@@H](OCCO)C1 1325550661 ODRRWLPVLGXADY-CYBMUJFWSA-N 314.382 -0.305 30 20 DBED CO[C@@H]1COC[C@H]1NC(=O)CCN/C(O)=C1\N=CC=CC1=O 1328578691 VVHOKRHSOHBUJU-DMPKUACASA-N 309.322 -0.567 30 20 DBED C=C(C)Cn1nnnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1333674876 ZAGSRBPTQHJXAL-ZDUSSCGKSA-N 319.413 -0.008 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)NC/C=C\CC)CC1 1335541585 YPIMZWRWQGJXCD-WAYWQWQTSA-N 314.411 -0.253 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2cncnc2C)C1=O 1339870617 RTMBTYVTSSVILD-LBPRGKRZSA-N 317.349 -0.031 30 20 DBED C=CCn1c(-c2ncnn2C)nnc1N1CCO[C@@H](C#N)C1 1342442629 JNONUZNFOASJGG-JTQLQIEISA-N 300.326 -0.012 30 20 DBED CN1CC[C@H](N(C)C(=O)C(=O)Nc2cccc(C#N)n2)C1=O 1345812151 LULYEKCPPBCJPD-JTQLQIEISA-N 301.306 -0.419 30 20 DBED CCN(CC(=O)N(C)C)C(=O)CCn1cc(C#N)c(O)nc1=O 1362265778 XCTGPFKWLCWUOB-UHFFFAOYSA-N 321.337 -0.853 30 20 DBED COC(=O)C[C@H]1CCCN1C(=O)Cn1cc(C#N)c(O)nc1=O 1362529154 MFNKRZDIAQANFL-SNVBAGLBSA-N 320.305 -0.625 30 20 DBED CNC(=O)NC(=O)CN[C@H](C)CNC(=O)c1cc(C#N)c[nH]1 1366270027 NOPNMQDOAVYXNR-MRVPVSSYSA-N 306.326 -0.950 30 20 DBED C=C(Cl)CNC[C@@H](O)CNC(=O)[C@@H]1CCCC(=O)N1C 1367617261 KTFONPYYTQVMLN-MNOVXSKESA-N 303.790 -0.184 30 20 DBED CCc1cc(C(=O)N(C)C[C@H](O)CNC(=O)[C@H](C)C#N)no1 1384243017 NJEOAJUDCDGBJO-NXEZZACHSA-N 308.338 -0.054 30 20 DBED C=C(Cl)CN1CC(O)(CNC(=O)CN2CCCCC2=O)C1 1393323459 AILMCOWZVMWGGJ-UHFFFAOYSA-N 315.801 -0.086 30 20 DBED C[C@H](CNC(=O)c1ccc(C(N)=O)nc1)CNC(=O)[C@@H](C)C#N 1399407377 RIBGVWBCLXWAGZ-UWVGGRQHSA-N 317.349 -0.178 30 20 DBED COc1cncc(C(=O)N2CC(CNC(=O)[C@H](C)C#N)C2)n1 1409176198 UBNPIERZJCGRGF-SECBINFHSA-N 303.322 -0.167 30 20 DBED CC[C@H](CNC(=O)COCc1nncn1C)NC(=O)[C@@H](C)C#N 1416294252 MSWVAXSLZOZBGP-WDEREUQCSA-N 322.369 -0.498 30 20 DBED CC(=O)NCC(=O)N1CC[C@@]2(CCN(C(=O)[C@H](C)C#N)C2)C1 1417225957 FUTRVISOYGFICV-IAQYHMDHSA-N 306.366 -0.267 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](C1CC1)N(C)C(=O)C1(NC(N)=O)CC1 1424893357 UVPCWYCZUAPACX-ONGXEEELSA-N 321.381 -0.300 30 20 DBED CCN(CCNC(=O)c1cc(C#N)c[nH]1)C(=O)c1ncn(C)n1 1429551276 SCBNBTRZSMCXAL-UHFFFAOYSA-N 315.337 -0.093 30 20 DBED CCN(CCNC(=O)[C@H](C)C#N)C(=O)c1nc2ncccn2n1 1431688547 OHQCZQPNRFPILG-SNVBAGLBSA-N 315.337 -0.138 30 20 DBED CC(=O)N[C@@H](C)C(=O)NCC1(NC(=O)c2c[nH]c(C#N)c2)CC1 1433830574 NVGXUDVAONYTRI-VIFPVBQESA-N 317.349 -0.210 30 20 DBED COc1cccc(NC(=O)Cn2cc(C#N)c(O)nc2=O)n1 1453309786 BQPGTISYBZDDAD-UHFFFAOYSA-N 301.262 -0.137 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)CNC(=O)N2CCCC2)CC1 1453533686 ACQHHZHMIKYIMG-NSHDSACASA-N 321.381 -0.284 30 20 DBED C=CCOCC(=O)N1CCCC[C@@H]1CNCC(=O)NC(N)=O 1484614273 OEWYSLCWIQDQQB-LLVKDONJSA-N 312.370 -0.645 30 20 DBED C[C@@H](CNC(=O)Cn1cncn1)CNC(=O)c1cc(C#N)c[nH]1 1532175386 DYIWMNOYJJLVIE-JTQLQIEISA-N 315.337 -0.340 30 20 DBED COc1cc(C(=O)NC[C@]2(O)CCN(C(=O)[C@@H](C)C#N)C2)on1 1537342541 KUJLODVTEZUNMJ-LKFCYVNXSA-N 322.321 -0.464 30 20 DBED C#CCNC(=O)CN(CC)CCCNC(=O)[C@H]1CCCN1C 1566543978 ZBSVKLRDZTYSDU-CQSZACIVSA-N 308.426 -0.342 30 20 DBED C#CC[C@@H]1CCCN(C(=O)C(=O)N2CCO[C@@H](C(=O)O)C2)C1 1588392171 UVPKEOUBLJJWHJ-VXGBXAGGSA-N 308.334 -0.440 30 20 DBED C=C(C)C[C@H](CO)NC(=O)NCCn1cnc(-c2nn[nH]n2)n1 1588406534 VUZOENMLPDZPPE-SECBINFHSA-N 321.345 -0.916 30 20 DBED Cn1cc(C#N)c(NC(=O)N[C@H](C(=O)O)c2ccnn2C)n1 1594526293 ZRIHIDOVGPHSKS-VIFPVBQESA-N 303.282 -0.027 30 20 DBED N#Cc1cccc(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)O)c1 1594625451 HTHSLLXHURHVIP-LLVKDONJSA-N 308.315 -0.118 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1602762620 BASMHIQHLFVONK-VXGBXAGGSA-N 317.353 -0.454 30 20 DBED C=CC[C@@H](CO)NC(=O)NCc1ccc(-c2nn[nH]n2)cn1 1602816769 VCLYGQGFHHWCEE-NSHDSACASA-N 303.326 -0.002 30 20 DBED COC(=O)[C@H](CNC(=O)[C@@](C)(C#N)CC(=O)O)[C@@H]1CCOC1 1604268086 RAZPXYOXIVNJAN-GPCCPHFNSA-N 312.322 -0.067 30 20 DBED COC(=O)N(C)CCNc1cnc(-c2nn[nH]n2)c(C#N)n1 1604944956 NZFDSFAMSFHNHU-UHFFFAOYSA-N 303.286 -0.362 30 20 DBED CO[C@H]1COCC[C@@H]1CNc1cnc(-c2nn[nH]n2)c(C#N)n1 1605037028 NGENLYXNICCEDT-SCZZXKLOSA-N 316.325 -0.008 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCCN(C)CC(=O)NCC#N 1751992544 XBRRPBZKFRPEIQ-AWEZNQCLSA-N 319.409 -0.838 30 20 DBED C#CCNC(=O)CN[C@H](C)CNC(=O)[C@H](C)Cn1ccc(C)n1 1752875872 YJGDIRFYNDZWPS-TZMCWYRMSA-N 319.409 -0.329 30 20 DBED C#CCNC[C@@H](O)CNC(=O)C[C@H](C)NC(=O)C1CCCC1 1753950061 YXIZLKLVWVRFBV-GXTWGEPZSA-N 309.410 -0.229 30 20 DBED CCNC(=O)CC(=O)N1CC[C@H](NCC(=O)NCC#N)C[C@H]1C 1754593545 PIMPABOWFQQUMF-NEPJUHHUSA-N 323.397 -0.879 30 20 DBED C=CCOCC(=O)NCC1(O)CN(Cc2cc(OC)ccn2)C1 1754764586 IMGXIWRZGCKLGN-UHFFFAOYSA-N 321.377 -0.044 30 20 DBED CC#CCN1CC(O)(CNC(=O)c2ccnc(N(C)C)c2)C1 1754775305 NZEPCHNYJLOLNZ-UHFFFAOYSA-N 302.378 -0.053 30 20 DBED N#CCNCCN(CCO)C(=O)c1ccc(-n2ccnn2)cc1 1754896511 KFLNLPZTOIESAU-UHFFFAOYSA-N 314.349 -0.185 30 20 DBED C=CCCC(=O)N1CCO[C@@H](CNCc2nc(=O)n(C)[nH]2)C1 1754996653 OHZRLFSJXCXHLV-NSHDSACASA-N 309.370 -0.608 30 20 DBED COCC#CCN1CC(CCO)(NC(=O)C[C@](C)(O)C2CC2)C1 1755331373 CWCYPVLZPOXGEB-INIZCTEOSA-N 324.421 -0.260 30 20 DBED C=CCN1CC[C@H](N[C@H](CO)CNC(=O)Cc2ccon2)C1=O 1755626792 MZHCACPAGLMVAT-STQMWFEESA-N 322.365 -0.929 30 20 DBED CCCC(=O)N1CCC[C@@H](C(=O)N(C)C[C@@H](O)CNCC#N)C1 1755795498 HANHBYVJKPZTFF-KGLIPLIRSA-N 324.425 -0.042 30 20 DBED C=CCCC(=O)NC[C@H](C)N(C)C(=O)Cn1c(O)nnc1O 1756009271 LHDAIQYOLDGATN-VIFPVBQESA-N 311.342 -0.381 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H](CO)NC(=O)/C=C\C1CC1 1756530967 XBYDAKOMCYQZCS-XAQJJABOSA-N 319.405 -0.357 30 20 DBED CC(C)C#CC(=O)N1CC[C@H](NC(=O)CS(C)(=O)=O)[C@@H]1C 1756562616 ZTXUCBUDTYPHBL-RYUDHWBXSA-N 314.407 -0.204 30 20 DBED C=CCOCC(=O)N[C@H]1C[C@H](C)N(C(=O)Cc2nc[nH]n2)C1 1756600592 HSZXDKFKEVDTDB-QWRGUYRKSA-N 307.354 -0.345 30 20 DBED COc1ccc(C)c(C=NNC(=S)NCC(N)=O)c1C(=O)O 1776042285 AMFARKZEYYWEIH-UHFFFAOYSA-N 324.362 -0.015 30 20 DBED CN(CCC#N)S(=O)(=O)N1CCC[C@@H]1C(=O)NC1CC1 45811206 QSSKELOIVYHEED-LLVKDONJSA-N 300.384 -0.180 30 20 DBED CC(C)NC(=O)CN1CCN([C@H](C)C(=O)N(C)CCC#N)CC1 72878463 QTQOKNNJENVLEU-CQSZACIVSA-N 323.441 -0.111 30 20 DBED C#CCN1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 112920787 KZAXZRDSZMPUKV-UHFFFAOYSA-N 304.306 -0.466 30 20 DBED C/N=C(/NCc1noc(C)n1)N1CCS(=O)(=O)C(C)(C)C1 261656102 AEDXYYHSPHFTIP-UHFFFAOYSA-N 315.399 -0.038 30 20 DBED N#Cc1cccc(S(=O)(=O)NCCN2C(=O)CNC2=O)c1 264958129 NGZYMRJXEWVOID-UHFFFAOYSA-N 308.319 -0.612 30 20 DBED COC[C@@](C)(C#N)NC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 268603235 FKRRFTQJAZUYHA-CYBMUJFWSA-N 324.362 -0.471 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1CC[C@@H](C)S(=O)(=O)CC1 277213720 WYUJDMWHROJGHW-MNOVXSKESA-N 317.411 -0.104 30 20 DBED CC(C)N1C(=O)C[C@H](NS(=O)(=O)N(C)C[C@@H](C)C#N)C1=O 281851539 YJVTXKQCTKCGPU-UWVGGRQHSA-N 316.383 -0.552 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N[C@H]1C(=O)NCC[C@H]1C 282603591 GFYUWORISYVXDI-NXEZZACHSA-N 303.384 -0.589 30 20 DBED C=CCSCCNC(=O)Cn1cc(S(N)(=O)=O)cn1 299501497 KPJHTERFYWPYRH-UHFFFAOYSA-N 304.397 -0.434 30 20 DBED CN1CCN(C(=O)CC/N=C(/O)N[C@H]2CCCN=C2O)CC1 328690891 QYXGXDPQEQYWPX-NSHDSACASA-N 311.386 -0.227 30 20 DBED CN1C[C@H](N/C(O)=N/C[C@H]2CCN(S(C)(=O)=O)C2)CC1=O 328788104 JYACFGYBUGQORE-NXEZZACHSA-N 318.399 -0.998 30 20 DBED O=S1(=O)CCN(CC/N=C(/O)[C@]2(O)CCSC2)CC1 328987469 UOKWEWHIQMHINO-NSHDSACASA-N 308.425 -0.459 30 20 DBED C[C@@H](O)C(=O)N1CCN(S(=O)(=O)CCCCC#N)CC1 330570064 XXYNABGOGFZZCY-LLVKDONJSA-N 303.384 -0.465 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)NCCN1C(=O)CCCC1=O 337069534 NJKDDKWCZGUYAT-SNVBAGLBSA-N 316.383 -0.549 30 20 DBED CSC[C@H](CCO)NS(=O)(=O)N1CCO[C@H](C#N)C1 337072416 PKXQBTWRQJPLNQ-VHSXEESVSA-N 309.413 -0.841 30 20 DBED COC(=O)[C@@H]1C[C@H](OC)CN1C(=O)[C@H](C)n1cnc(C#N)n1 342731567 KWEJGCIGJFZVQJ-GUBZILKMSA-N 307.310 -0.500 30 20 DBED CCNC(=O)c1cccc(CNC(=O)NCC(=O)NCC#N)c1 344355722 UKFZHDWLVOALHA-UHFFFAOYSA-N 317.349 -0.125 30 20 DBED C=CC[C@H](CO)NC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccnn1C 346675242 VRCGFLXIGHDYLE-GYSYKLTISA-N 306.366 -0.007 30 20 DBED C=C[C@@H](CO)NC(=O)C(=O)Nc1ccn(-c2ccncc2)n1 354552372 ZLBCOXKKYIDGMR-JTQLQIEISA-N 301.306 -0.131 30 20 DBED CCS(=O)(=O)N1CCC[C@@H](C(=O)N[C@]2(C#N)CCOC2)C1 358449865 XRCLHBMDJSYRGQ-YPMHNXCESA-N 315.395 -0.153 30 20 DBED C=CCNC(=O)CNS(=O)(=O)[C@H]1CCC[C@H]1C(=O)OC 360135253 ZEQVBLNASLPQCM-ZJUUUORDSA-N 304.368 -0.450 30 20 DBED C=CCOC[C@@H](NC(=O)c1c([N+](=O)[O-])cnn1C)C(=O)OC 360724572 CRAKRHMYBIGCDH-MRVPVSSYSA-N 312.282 -0.198 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N1CC[C@H](S(=O)(=O)NC)C1 372157410 PJQWIGIVYGVADH-ZJUUUORDSA-N 318.399 -0.990 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2C[C@@H]3CC[C@H](N)[C@H]3C2)nn1 424545660 MASOYWYDTCTFTB-DRZSPHRISA-N 318.381 -0.724 30 20 DBED CC#CCCNC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 544578612 DMTFTYLBTARILH-UHFFFAOYSA-N 317.349 -0.647 30 20 DBED N#Cc1cc(F)ccc1S(=O)(=O)NCC(=O)NCC(=O)O 548198947 FEXPTEPBRNIZFM-UHFFFAOYSA-N 315.282 -0.824 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N1CCN(C(=O)N(C)C)CC1 558680743 MGEYHNNJVITVAJ-LLVKDONJSA-N 317.415 -0.236 30 20 DBED N#Cc1ccccc1S(=O)(=O)NC[C@H](O)Cn1ccnn1 568664329 MYULIOCFPYAZKP-NSHDSACASA-N 307.335 -0.511 30 20 DBED N#Cc1ncn(CCNC(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@@H]2[C@@H]4O)n1 574110797 PDYUNBWEBDWUQN-QSXVKLJYSA-N 302.338 -0.440 30 20 DBED CC[C@@H](CC#N)NC(=O)c1nc(N)nc(N2CCOCC2)n1 575063949 LPEPCAODIMRVMU-VIFPVBQESA-N 305.342 -0.288 30 20 DBED C=C(C)CN1CCC(NC(=O)C(=O)N(C)CCNC(C)=O)CC1 579708800 MXJUSAJMLKWBBT-UHFFFAOYSA-N 324.425 -0.262 30 20 DBED Cc1cc(NC(=O)NCCn2cnc(C#N)n2)nn1CCC#N 588272538 MQDABHHJIOKPAX-UHFFFAOYSA-N 313.325 0.390 30 20 DBED CS(=O)(=O)N1CCN(CCNc2cccnc2C#N)CC1 589564204 PKCQQUMCEFCQNG-UHFFFAOYSA-N 309.395 -0.058 30 20 DBED N#Cc1cncc(S(=O)(=O)N2C[C@@H]3COC[C@]3(C(=O)O)C2)c1 594690754 NRXCOPFGGVLMLM-ZWNOBZJWSA-N 323.330 -0.325 30 20 DBED C=C(CNC(=O)Cn1cccn1)CNC(=O)Cn1cccn1 620747698 FVOMKCCLYIXFOB-UHFFFAOYSA-N 302.338 -0.432 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 730106285 WQPFUHMKSPQCCZ-STQMWFEESA-N 313.423 -0.376 30 20 DBED C[C@@H](C(=O)OCC(=O)NCC#N)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 731238559 BQRKPRSYVSUVFI-DCAQKATOSA-N 321.333 -0.267 30 20 DBED Cn1cc(C=NNC(=S)NCC(N)=O)c(-c2cccnc2)n1 731930284 VRBBYOIEVWZBCE-UHFFFAOYSA-N 317.378 -0.235 30 20 DBED N#CCNC(=O)COC(=O)CCOc1ccccc1C(N)=O 750547450 YSULDCMHIVEPAO-UHFFFAOYSA-N 305.290 -0.263 30 20 DBED C=CCn1nnn(CN2CC(OCC(=O)N(C)C)C2)c1=S 751944001 OUKNWGBCMAOZHW-UHFFFAOYSA-N 312.399 -0.258 30 20 DBED C#C[C@H](NCC(=O)N1CCC[C@H](NC(C)=O)C1)[C@H]1CCCO1 775785968 UCMCGMHKBHSDNP-SOUVJXGZSA-N 307.394 -0.116 30 20 DBED CS(=O)(=O)N1CCN(CC(=O)OCC2(C#N)CCC2)CC1 778725069 GPUDMKSPZHHURM-UHFFFAOYSA-N 315.395 -0.199 30 20 DBED N#Cc1ncn(CCNc2ccc(S(N)(=O)=O)cc2C#N)n1 804817467 AOGWIAYLTVXFHM-UHFFFAOYSA-N 317.334 -0.219 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)OCCN2CCNC2=O)cc1 808512997 SPSXMVGRMQRFSM-UHFFFAOYSA-N 316.317 -0.144 30 20 DBED C#C[C@@H](NC(=O)C(=O)N1CCC(CO)(OC)CC1)[C@H]1CCCO1 809312084 XRTSLUCTWKVQHW-CHWSQXEVSA-N 324.377 -0.717 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@@]1(C)CCOC1=O 810103198 NUOMMMCKERGLAF-NSHDSACASA-N 305.356 -0.612 30 20 DBED COc1cc(C=NNC[C@@H](C)O)cc(OC)c1OCC(N)=O 814962815 VGVKPFZARCPMCT-SECBINFHSA-N 311.338 -0.128 30 20 DBED C=CCNC(=O)CNC(=O)Cc1cccc(-c2nn[nH]n2)c1 823919512 JLOFMYWMELPHEF-UHFFFAOYSA-N 300.322 -0.172 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CCO[C@@H]2C)CC1 831569011 WAKVGVBJRMCXPN-NEPJUHHUSA-N 315.395 -0.977 30 20 DBED CN(C)S(=O)(=O)c1cc(C(=O)N[C@H]2CNC[C@@H]2C#N)co1 834479727 HXYNLLCGMWVNKO-UWVGGRQHSA-N 312.351 -0.629 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N[C@@H]1CCC[C@H]1C(=O)NC 875326656 OORPYXJXXXKXOM-JHJVBQTASA-N 323.393 -0.438 30 20 DBED C#CCN1CCC[C@H](NS(=O)(=O)CCC(=O)OCC)C1 885511955 PURGLKWJCKLACY-LBPRGKRZSA-N 302.396 -0.043 30 20 DBED C#CCN1CCC(C(=O)NCCN2CCC3(C2)OCCO3)CC1 899057694 UVBANNVPJZVJLN-UHFFFAOYSA-N 321.421 -0.103 30 20 DBED CNC(=O)CNC(=S)NN=Cc1c(Cl)c(C)nn1C 905447941 JWQASCQWDNDWMO-UHFFFAOYSA-N 302.791 -0.074 30 20 DBED C#CC[C@H](CO)NC(=O)N[C@H]1C[C@H](C)N(c2cnn(C)c2)C1=O 920901842 QXUWIKMFJGMKOK-LOWVWBTDSA-N 319.365 -0.403 30 20 DBED Cn1cc(C(=O)N[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)nn1 940255044 XTOAZADSAKLMBY-SNVBAGLBSA-N 313.321 -0.341 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](NC(=O)c2cn3c(n2)COCC3)C1 941289462 PAGNEKRLFRSHSE-WDEREUQCSA-N 317.349 -0.096 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C2CN(Cc3cnon3)C2)CC1 941347682 AGJUFKDWCUBBNN-LLVKDONJSA-N 304.354 -0.442 30 20 DBED CC#CCN1CCN(C(=O)[C@H]2CC(=O)N(CCOC)C2)CC1 948624766 RDQJHZLJPROSIM-AWEZNQCLSA-N 307.394 -0.351 30 20 DBED Cc1nc(CC(=O)N(C)C2CN(C(=O)C#CC3CC3)C2)n[nH]1 954232023 NYNHPTDNHRHEQC-UHFFFAOYSA-N 301.350 -0.262 30 20 DBED C=CCCN1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)CC1 957319528 RAMVNVJUNFCQEU-UHFFFAOYSA-N 302.338 -0.249 30 20 DBED C#CCN1C[C@H](CNC(=O)c2nnc3ccccc3n2)[C@@H](O)C1 958263618 RLSMIMHPYFGRMC-FZMZJTMJSA-N 311.345 -0.320 30 20 DBED C#CCCN1C[C@H](O)[C@H](CNC(=O)c2cncc(C(N)=O)c2)C1 958695001 LAZZPHWHDZYOPW-KGLIPLIRSA-N 316.361 -0.774 30 20 DBED CC1(C)CC(=O)N(CC(=O)NC2[C@@H]3CN(CC#N)C[C@@H]23)C1=O 959898100 ZQDBGVOJQCVKJJ-NXEZZACHSA-N 304.350 -0.659 30 20 DBED Cc1c[nH]c(C(=O)N2C[C@H]3[C@@H](C2)OCCN3C(=O)[C@@H](C)C#N)n1 960874752 MWINNGWAFFTRMO-ZMLRMANQSA-N 317.349 -0.070 30 20 DBED N#CCN1C[C@H]2[C@H](NC(=O)[C@@H]3COCCN3CC(F)F)[C@H]2C1 961374069 RHFQSWFYPSSLHI-SRRSOLGSSA-N 314.336 -0.478 30 20 DBED N#Cc1cc(C(=O)N2CCC[C@H]3[C@@H]2CCN3C(=O)C(N)=O)c[nH]1 962959464 NJPGSUGTGZPTEL-RYUDHWBXSA-N 315.333 -0.423 30 20 DBED C#CCN1CCC(C(=O)N2CC[C@@H](N[C@@H](C)C(N)=O)C2)CC1 970789066 UJTMXRKMBXUSJF-GXTWGEPZSA-N 306.410 -0.604 30 20 DBED CC#CCN1C[C@@H](NC(=O)Cn2ccc(O)nc2=O)C(C)(C)C1 974784596 RIUVVTLCDYJVIC-GFCCVEGCSA-N 318.377 -0.201 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)CN3CCOCC3)[C@H]2C1 976376266 NOJSGXHXYRFHSR-NMKXLXIOSA-N 306.366 -0.949 30 20 DBED O=C1CC[C@@H](CC(=O)N[C@H]2[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]32)N1 976823383 PLMVCPLVNVSTLZ-APNQJHFZSA-N 315.373 -0.359 30 20 DBED C=CCN1C[C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C(C)(C)C1 977600850 HGRSJQAQIOBUGH-GHMZBOCLSA-N 301.412 -0.309 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1[C@@H]2CN(CC(N)=O)C[C@H]12 978166193 KOTJMKBHGCSYCW-POQQGIQPSA-N 307.394 -0.253 30 20 DBED N#CCN1C[C@H]2[C@H](CNC(=O)[C@@H]3CCCS(=O)(=O)C3)[C@H]2C1 978819971 CSOMSAHFVZHTRR-LPWJVIDDSA-N 311.407 -0.371 30 20 DBED C=CCN1CC[C@@H](N(C)C2CCN(C(=O)C(N)=O)CC2)C1=O 985612836 KBGXOORRSPYNMG-GFCCVEGCSA-N 308.382 -0.819 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)C(C)(C)C(N)=O)C[C@H]2C1 986596107 KLNHSKPHYVYCTL-UTUOFQBUSA-N 320.393 -0.036 30 20 DBED C#CCN[C@@H]1CCC[C@@H]2CN(C(=O)CCn3cnnn3)C[C@H]21 992882312 ZFSBQNGNCLVZLT-MGPQQGTHSA-N 302.382 -0.087 30 20 DBED C#CCN[C@@H]1CCC[C@@H]2CN(C(=O)CN3C(=O)CCC3=O)C[C@@H]21 992919042 UEJNWRICZGFNST-HZSPNIEDSA-N 317.389 -0.015 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(NC(=O)[C@@H]2CCNC2=O)C1 997433618 YYTWGNNSXCCUAB-XQQFMLRXSA-N 321.377 -0.569 30 20 DBED C#CCN1CCC(C2(NC(=O)c3nnc(O)nc3O)CC2)CC1 1000201806 FVYZILIANJBQTD-UHFFFAOYSA-N 317.349 -0.110 30 20 DBED C=CCN1CCC(NC(=O)c2c[nH]nc2S(N)(=O)=O)CC1 1003600076 UKTAOZMCNWORRH-UHFFFAOYSA-N 313.383 -0.563 30 20 DBED C=CCN1CCC(N(C)C(=O)Cn2ccc(=O)n(C)c2=O)CC1 1005478789 ZLPGRPFDSLJVQO-UHFFFAOYSA-N 320.393 -0.344 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C(=O)[C@@H]2CCC(=O)N(C)C2)CC1 1011256999 MDVPQWXMBSHBAB-NWDGAFQWSA-N 306.366 -0.315 30 20 DBED CC(=O)N1CC(C(=O)N[C@H]2CCN(C(=O)C#CC3CC3)[C@H]2C)C1 1011739894 WCOUSODBZCBXNW-NHYWBVRUSA-N 317.389 -0.016 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCN(C(=O)c3nccnc3N)C2)C1 1019361390 FRCHFMBHFYDZIK-JTQLQIEISA-N 314.349 -0.107 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]2CN(C(=O)c3cnnn3C)C[C@H]21 1022564363 IWHJATDIJZZWFY-JFGNBEQYSA-N 302.338 -0.352 30 20 DBED O=C(C#CC1CC1)N1C[C@@H]2CCN(C(=O)Cn3cncn3)[C@@H]2C1 1022765122 IENPFHDFOWATMW-UONOGXRCSA-N 313.361 -0.249 30 20 DBED C=CCNC1CCC(NC(=O)c2cn(C)c(=O)n(C)c2=O)CC1 1026571296 ROKCBDCVNBCDPX-UHFFFAOYSA-N 320.393 -0.099 30 20 DBED CN(CC#N)[C@@H]1CCCN(C(=O)CCn2ncn(C)c2=O)C1 1027505163 KXVCNVNMWPWFPF-GFCCVEGCSA-N 306.370 -0.582 30 20 DBED C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC(=O)N(CCOC)C1 1032431708 LVAZMPVZRNVYRZ-KKUMJFAQSA-N 319.405 -0.210 30 20 DBED C#CCN1C[C@@H]2C[C@H]1CN2C(=O)Cn1nc2ccccn2c1=O 1032550323 MAOPIGXDRMGCCC-STQMWFEESA-N 311.345 -0.586 30 20 DBED CC#CCN1CC[C@H](N(C)C(=O)[C@H]2CN(C(C)=O)CCO2)C1 1033629771 DNHHXRZYJABKBD-LSDHHAIUSA-N 307.394 -0.210 30 20 DBED CC(C)C(=O)N1CCC[C@@H]1C(=O)NC[C@H]1CN(CC#N)CCO1 1035609558 LOQILCNQUMFDDH-UONOGXRCSA-N 322.409 -0.026 30 20 DBED C[C@H]1CN(C(=O)C#CC2CC2)CC[C@@H]1NCc1nc(=O)n(C)[nH]1 1036031065 UYHYXTKMXUCJRI-AAEUAGOBSA-N 317.393 -0.152 30 20 DBED C#CCCCC(=O)N1CC[C@@](O)(CNC(=O)[C@H](O)C(C)C)C1 1039626014 CAMSZXDOCISQNK-GDBMZVCRSA-N 310.394 -0.114 30 20 DBED CC(=O)N[C@H](C)C(=O)N1CC[C@](O)(CNC(=O)C#CC2CC2)C1 1039677209 FQFYBBSPOBPSFG-BZNIZROVSA-N 321.377 -0.996 30 20 DBED O=C(C#CC1CC1)NC[C@]1(O)CCN(C(=O)[C@@H]2CCOC2)C1 1039677418 HRUACUDHYNNUES-CZUORRHYSA-N 306.362 -0.484 30 20 DBED C[C@H]1[C@@H](N=c2cc[nH]c(C#N)n2)CCN1C(=O)Cc1nc[nH]n1 1040179277 ZBPRSTJOERQFMJ-UWVGGRQHSA-N 312.337 -0.468 30 20 DBED C=C(C)CCC(=O)N1CC[C@](O)(CNC(=O)[C@H]2CCNC2=O)C1 1040486174 RJRABWHTHQNBHM-LRDDRELGSA-N 323.393 -0.442 30 20 DBED CC(C)C#CC(=O)N1CC[C@](O)(CNC(=O)c2ccncn2)C1 1040659386 BHMKHJLWXFVESI-INIZCTEOSA-N 316.361 -0.171 30 20 DBED Cc1[nH]nc(C(=O)N2CC[C@](O)(CNC(=O)[C@H](C)C#N)C2)c1O 1040759967 FCSHGZPMLCWPRI-CLAHSXSESA-N 321.337 -0.723 30 20 DBED CCN(CC)CC(=O)N1CC[C@](O)(CNC(=O)[C@@H](C)C#N)C1 1040760054 LWHTWYIDHSZPEF-WFASDCNBSA-N 310.398 -0.433 30 20 DBED C[C@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)Cc2ccc[nH]2)C1 1040760905 ASOVEHDVPBELRB-IAQYHMDHSA-N 304.350 -0.204 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1040768936 GXHDZXUBMFHEOC-RSPOJEKHSA-N 307.350 -0.882 30 20 DBED C[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1NC(=O)[C@@H]1COC(=O)N1 1041892356 NGSRMTYRJYGCEU-IEBDPFPHSA-N 316.321 -0.602 30 20 DBED C#CCN1CC[C@H]2CCN(C(=O)Cn3ncn(C)c3=O)C[C@H]21 1042122114 MBAMNYABIYJKGQ-QWHCGFSZSA-N 303.366 -0.862 30 20 DBED C#CCNC(=O)CC(=O)NCC1(O)CN(C(=O)[C@@H](C)CCC)C1 1042672201 JFVOSSCJDRWKIS-LBPRGKRZSA-N 323.393 -0.748 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)[C@H](C)n2cncn2)C1 1042803124 SDWHYYWPCHYGRW-LBPRGKRZSA-N 319.365 -0.668 30 20 DBED CC(C)(C)C#CC(=O)NCC1(O)CN(C(=O)[C@@H]2COCCO2)C1 1042966446 WXWBRWPRWREHMQ-LBPRGKRZSA-N 324.377 -0.859 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)c2oncc2C)C1 1043038939 ADVRBSJMEOGIQB-LLVKDONJSA-N 321.333 -0.676 30 20 DBED CCCn1cc(C(=O)NCC2(O)CN(C(=O)[C@H](C)C#N)C2)cn1 1043085986 CEGJZICMOHLYOK-LLVKDONJSA-N 319.365 -0.244 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)[C@H]2CCN(C)C2)C1 1043120979 SWSHWXNTYSTAKW-LBPRGKRZSA-N 309.410 -0.160 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CN(c3ncc(F)cn3)C[C@@H]2O)c1 1043887178 QGLLFZCUTAUPMQ-NEPJUHHUSA-N 316.296 -0.205 30 20 DBED C=C[C@@H](CC)CC(=O)NCC1(O)CN(C(=O)c2cnn(C)n2)C1 1045069276 RJCKDAPJFPPOET-NSHDSACASA-N 321.381 -0.280 30 20 DBED CC(C)n1ccc(C(=O)N2CC(O)(CNC(=O)[C@H](C)C#N)C2)n1 1045551039 DLNVFPMFSNKHOH-LLVKDONJSA-N 319.365 -0.073 30 20 DBED C=C[C@@](C)(CC)C(=O)NCC1(O)CN(C(=O)c2nc[nH]n2)C1 1045778524 ZOIHEXFEJYENCK-ZDUSSCGKSA-N 307.354 -0.290 30 20 DBED C#CCCN1[C@H]2CC[C@H]1CN(C(=O)CN1CCNC(=O)C1)CC2 1045826146 RCABUUWUMFARDN-GJZGRUSLSA-N 318.421 -0.493 30 20 DBED N#CCN1[C@H]2CC[C@H]1CN(C(=O)CC[C@@H]1NC(=O)NC1=O)CC2 1045888035 TWSBNRYNAONAPU-SRVKXCTJSA-N 319.365 -0.437 30 20 DBED C=C(C)CCN1CC[C@](C)(NC(=O)c2cn(CC(N)=O)nn2)C1 1046853788 FKAGJCBXVABJLS-HNNXBMFYSA-N 320.397 -0.076 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCN(C(=O)CC)C2)C1 1047588117 HTTKVSZPLJPDDQ-KKUMJFAQSA-N 321.421 -0.228 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)C2CCN(C(N)=O)CC2)C1 1047621473 PVYQECKWTROXEX-KBPBESRZSA-N 322.409 -0.696 30 20 DBED C[C@H](NCc1nc(=O)n(C)[nH]1)[C@H]1CCN(C(=O)C#CC2CC2)C1 1047849122 PPBIDZLVOWOKLH-AAEUAGOBSA-N 317.393 -0.152 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2ccnn2C)C1 1048500994 VKQCQVIRPAQEOI-KBPBESRZSA-N 318.377 -0.277 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[C@@H]2C)C1 1049219711 AVDYJDFUCXUIDD-PEDHHIEDSA-N 308.378 -0.289 30 20 DBED CCCN1C[C@H](C(=O)NC[C@H]2COCCN2CC#N)CC1=O 1051138473 XRPBUMGYQPWKMG-OLZOCXBDSA-N 308.382 -0.415 30 20 DBED CN(C)c1ccc(C(=O)NC[C@@H]2COCCN2CC#N)nn1 1051207268 FZHZBQNHBJBLOT-LLVKDONJSA-N 304.354 -0.503 30 20 DBED C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1CNC(=O)C(N)=O 1052385439 SSCSZHQFIVVUED-BDAKNGLRSA-N 303.322 -0.804 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1CNC(=O)CCNC(N)=O 1052554366 OOXRZTQYYIAZBF-DGCLKSJQSA-N 320.393 -0.331 30 20 DBED CNC(=O)[C@@H](C)N1CC2(CN(C(=O)C#CC3CC3)CCO2)C1 1053249741 BMYHUJVDWANJGJ-GFCCVEGCSA-N 305.378 -0.553 30 20 DBED C[C@@H](C(=O)N[C@@H]1COC2(C1)CN(CC#N)C2)N1C(=O)CCC1=O 1053821208 YFWCZOXDNLLFGP-QWRGUYRKSA-N 320.349 -0.993 30 20 DBED C=CCCn1cc(C(=O)N[C@@H]2COC3(C2)CN(CCO)C3)nn1 1053951469 WIESUYQTWONWAS-LBPRGKRZSA-N 321.381 -0.580 30 20 DBED COCC(=O)NC1CCN(CCNC(=O)C#CC(C)C)CC1 1055572568 IJAHNWYUGALGAU-UHFFFAOYSA-N 309.410 -0.011 30 20 DBED N#Cc1nccnc1N1CCN(C(=O)[C@@H]2CCC(=O)N2)CC1 1055862969 PSKMJRJWUKIEFR-JTQLQIEISA-N 300.322 -0.725 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@]1(CO)CCCN(C(=O)COC)C1 1055986291 IBVDTQPFUQGXGM-SWLSCSKDSA-N 314.382 -0.306 30 20 DBED N#CCSCC(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)C(N)=O 1056248775 RLDCFUUUAUOROC-ZJUUUORDSA-N 310.379 -0.680 30 20 DBED CCc1nc(C#N)cc(N2C[C@@H]3C(NC(=O)c4cnn[nH]4)[C@H]3C2)n1 1056470236 JKBSSDNZSDXYPY-UWVGGRQHSA-N 324.348 -0.107 30 20 DBED CN(c1ccc(C#N)nc1)[C@@H]1CCN(C(=O)Cn2cnnn2)C1 1056849683 LXHSNQMQAKNLMF-CYBMUJFWSA-N 312.337 -0.323 30 20 DBED CN(c1ccc(C#N)nn1)[C@@H]1CCN(C(=O)Cc2nc[nH]n2)C1 1056964754 UURIMZPLPSUHJB-LLVKDONJSA-N 312.337 -0.254 30 20 DBED CN(c1ncccc1C#N)[C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 1057018119 YKIXYBKPGWGIHZ-VXGBXAGGSA-N 314.349 -0.328 30 20 DBED COC[C@@H](C)C(=O)N(CCO)CCNC(=O)c1c[nH]c(C#N)c1 1057189244 MWHAWVNGRYWTHU-LLVKDONJSA-N 322.365 -0.280 30 20 DBED C=CCCC1(C(=O)NCCN(CCO)C(=O)CC(N)=O)CC1 1057244338 YTIYTBXATPEJTG-UHFFFAOYSA-N 311.382 -0.455 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)[C@@H]1CN(C)CCO1 1057263293 HNFYGEXVNTZIBS-ZDUSSCGKSA-N 313.398 -0.780 30 20 DBED C=CCOCCCC(=O)N(CCO)CCNC(=O)[C@@H](C)OC 1057266697 HJQYENHDOCPJOP-CYBMUJFWSA-N 316.398 -0.059 30 20 DBED CCN1CCCC[C@@H]1C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N 1057864269 JUHGFKPNYMYAOS-UONOGXRCSA-N 324.425 -0.042 30 20 DBED C=CCO[C@H](C)C(=O)N(CCO)CCNC(=O)c1cncn1C 1057922769 FFNHJNWVMKXRQY-GFCCVEGCSA-N 324.381 -0.438 30 20 DBED N#Cc1cccnc1N1CCC[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1 1058231946 WXGDYPRPKGELAU-VXGBXAGGSA-N 314.349 -0.280 30 20 DBED C=C(C)C[C@H](C)C(=O)N(CCO)CCNC(=O)CC(=O)NC 1058464151 PAIYLJBIEYJQBE-LBPRGKRZSA-N 313.398 -0.338 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)c1ccnc(O)c1 1058652972 JFBHYQXHBGGKEL-SNVBAGLBSA-N 306.322 -0.502 30 20 DBED C[C@]1(C(=O)N2CC[C@H](N=c3cc[nH]c(C#N)n3)C2)CCNC1=O 1059063149 PJWHUOKKAJSLQG-BONVTDFDSA-N 314.349 -0.691 30 20 DBED N#Cc1nc(=NC[C@@H]2CCCCN2C(=O)c2cnn[nH]2)cc[nH]1 1060322813 YWZZDIYFDXTBKP-JTQLQIEISA-N 312.337 -0.005 30 20 DBED C#CCOCCC(=O)N1CCOC[C@H]1CNC(=O)CCOC 1061171581 GTSJUIIMXKVROT-CYBMUJFWSA-N 312.366 -0.594 30 20 DBED C#CCO[C@H](C)C(=O)N1CCOC[C@H]1CNC(=O)COCC 1061247060 ASNVHKPDCBBIHV-CHWSQXEVSA-N 312.366 -0.595 30 20 DBED N#Cc1cnc(N2CCC[C@H]2CNC(=O)[C@H]2CNC(=O)N2)cn1 1061440469 FGVZBAYUFOVECX-WDEREUQCSA-N 315.337 -0.885 30 20 DBED C#CCOCCC(=O)NC1(CNC(=O)C(C)(C)C(N)=O)CCC1 1063370559 OYBMHJMRXYXJAJ-UHFFFAOYSA-N 323.393 -0.307 30 20 DBED Cc1nc(CC(=O)N[C@@H]2[C@H]3C[C@H]2N(c2ccc(C#N)nn2)C3)n[nH]1 1064250177 UDBVGVWJOBEMQF-ZVWUFJHRSA-N 324.348 -0.289 30 20 DBED Cc1nc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)Cn2ncnn2)ccc1C#N 1064297351 HUUNITCTPJBUKG-TYNCELHUSA-N 324.348 -0.358 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)[C@@H]2CCNC2=O)CCO1 1065423121 WXBURBHPRWHVBN-QWHCGFSZSA-N 321.377 -0.730 30 20 DBED C=CCCOCC(=O)N1CCC[C@@H](NC(=O)CC(N)=O)CC1 1066013752 AJUYYYXTGGVZAZ-GFCCVEGCSA-N 311.382 -0.048 30 20 DBED C[C@@H]1CN(C(=O)C2=COCCO2)C[C@@H]1N=c1cc[nH]c(C#N)n1 1067039282 DVRLHUNTKATFJZ-MNOVXSKESA-N 315.333 -0.083 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](CNC(=O)c3cnon3)C2)nc1 1067678958 XDYDELIRDVLZQI-ZYHUDNBSSA-N 314.305 -0.437 30 20 DBED C=CCCC(=O)N1CC2(C[C@H](NC(=O)[C@H]3CCNC3=O)CO2)C1 1068944184 AGAONRAHMMCGRU-RYUDHWBXSA-N 321.377 -0.425 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCc1cnn2c1CN(CCO)CC2 1069876028 FDZJEISUVHBAHH-HIFRSBDPSA-N 320.393 -0.102 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)Cc2cnn(C)c2)C1 1069901821 UTBGDZZVYICDTM-KGLIPLIRSA-N 315.381 -0.218 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)Cc2ncc[nH]2)CCOCC1 1070233047 YQPFIWAEVIALST-LLVKDONJSA-N 319.365 -0.107 30 20 DBED N#CCN[C@@H]1CCO[C@H]1C1CCN(C(=O)Cn2ncnn2)CC1 1071055463 FUKWLLRMTHEGRW-OCCSQVGLSA-N 319.369 -0.818 30 20 DBED C#CCN1CC[C@]2(C1)CN(C(=O)CCn1cncn1)C[C@H](C)O2 1071137271 YOGXWZZOYZKQKM-HOCLYGCPSA-N 317.393 -0.007 30 20 DBED C#CCN1CCN([C@H]2CCCN(C(=O)[C@H]3CCCO3)C2)C(=O)C1 1071254037 UUBPBJAQFUNZCG-LSDHHAIUSA-N 319.405 -0.066 30 20 DBED C=CCOCC(=O)N1C[C@@H](C)[C@@H](NC(=O)c2cnn(C)n2)C1 1071808681 KHWXRIWZFAZCQO-PWSUYJOCSA-N 307.354 -0.406 30 20 DBED C=CCOCC(=O)N1C[C@@H](C)[C@@H](NC(=O)CCc2cnn[nH]2)C1 1071812856 WMLXWMZTIDHWLP-YPMHNXCESA-N 321.381 -0.097 30 20 DBED C#CCN1CCC(C(=O)N[C@@H]2CC[C@@H](C)N(CC(N)=O)C2)CC1 1072098789 FYRIOMZEHKIAQX-UKRRQHHQSA-N 320.437 -0.214 30 20 DBED C[C@@H]1CN(C(=O)Cc2nc[nH]n2)C[C@H]1NC(=O)C#CC1CC1 1072777709 HJGAKHTZLBKIRO-ZYHUDNBSSA-N 301.350 -0.276 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(C)(NC(=O)C2(NC(N)=O)CC2)CC1 1073228668 GEAFSQZVPDKFCY-JTQLQIEISA-N 321.381 -0.156 30 20 DBED CC1(C)CN(C(=O)CNC(N)=O)CC[C@@H]1NC(=O)C#CC1CC1 1073388715 NNQMMIZVFKDMGP-LBPRGKRZSA-N 320.393 -0.189 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CCN(C(=O)c2nnn(C)n2)CC1(C)C 1073484266 FCTGBQCGGZBZTR-UWVGGRQHSA-N 319.369 -0.273 30 20 DBED C=CCCC(=O)N1CCN(C2CN(C(=O)c3nc[nH]n3)C2)CC1 1073551147 BYPGCOLCHQDULR-UHFFFAOYSA-N 318.381 -0.261 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)c2ccnc(OC)n2)C1 1073690911 KZMNYTSKMBXGSK-LBPRGKRZSA-N 304.350 -0.061 30 20 DBED C[C@H]1C[C@H](NC(=O)CNC(N)=O)CCN1C(=O)C#CC1CC1 1074818602 IXQDLBHBLFPYCP-CMPLNLGQSA-N 306.366 -0.436 30 20 DBED C#CCOCCC(=O)N[C@H]1CCN(C(=O)CNC(N)=O)[C@@H](C)C1 1074990839 MAUHHLSONNZHHN-RYUDHWBXSA-N 324.381 -0.810 30 20 DBED C#CCO[C@H](C)C(=O)NCC[C@H](C)NC(=O)[C@@H]1[C@H]2COC[C@H]21 1076511990 LRTFEJXGLCJCKK-MEBFFEOJSA-N 308.378 -0.072 30 20 DBED C=CCCOCC(=O)NCC[C@H](C)NC(=O)[C@H]1COC(=O)N1 1077062912 PPJZMWPHHNCUCM-WDEREUQCSA-N 313.354 -0.302 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2ccc(NC(C)=O)cn2)C1 1077103117 AOQDBDPLYJMDCU-ZIAGYGMSSA-N 302.334 -0.552 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC(=O)N2C)C1 1077557704 PJHGPZCBQXQVLV-GMTAPVOTSA-N 301.774 -0.479 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCN(C(=O)CC)C2)C1 1077960557 ZOHFVCVGOMDWKL-MGPQQGTHSA-N 309.410 -0.018 30 20 DBED Cc1cccc2c1O[C@H](C(=O)N[C@@H]1CN(CC#N)C[C@H]1O)C2 1078302570 MMTWPWUDQQQTKI-MCIONIFRSA-N 301.346 -0.017 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(N(CC)C(=O)c2cnnn2C)C1 1079700317 UMBCARSHEJGXBC-HNNXBMFYSA-N 321.381 -0.185 30 20 DBED CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)CCn2ccnn2)C1 1080410953 AXYDUZLZFPVQFN-LLVKDONJSA-N 304.354 -0.113 30 20 DBED CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)c2nccnc2N)C1 1080411776 UAUXFJUQKKDFSG-SECBINFHSA-N 302.338 -0.109 30 20 DBED C=CCCC(=O)N1CCC(CO)(NC(=O)Cn2ncnn2)CC1 1080869008 UQSOXMSLVGNIIJ-UHFFFAOYSA-N 322.369 -0.891 30 20 DBED N#CCSCC(=O)NC[C@H]1CN(C(=O)C(F)F)C[C@@H]1O 1081286706 OJXSXFFBDWICDT-YUMQZZPRSA-N 307.322 -0.556 30 20 DBED C=CCOCC(=O)N1C[C@H](CNC(=O)c2ncc[nH]2)[C@@H](O)C1 1081453894 ZYDYYTNVEAONNC-QWRGUYRKSA-N 308.338 -0.839 30 20 DBED C#CCOCCC(=O)NC[C@H]1CN(C(=O)C2CCC2)C[C@@H]1O 1081488172 FARDRFLLKAOIRO-KBPBESRZSA-N 308.378 -0.238 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CN(C)C[C@@H](C)O1 1083119219 IFQCPZRVTHFPBU-QKPAOTATSA-N 321.421 -0.360 30 20 DBED C#Cc1ccccc1CC(=O)N[C@@H]1CN(CC(=O)NC)C[C@@H]1O 1083998772 NBWPUMZKSORJSR-CABCVRRESA-N 315.373 -0.882 30 20 DBED CC(C)(C)n1nnc(CC(=O)N[C@@H]2CCN(CC#N)C[C@@H]2O)n1 1090294122 XBORSYPIDYWJTC-MNOVXSKESA-N 321.385 -0.954 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2cnc3c(c2)ncn3C)[C@H](O)C1 1090474638 DVAYIBKGXISUGP-TZMCWYRMSA-N 313.361 -0.234 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1OC 1090877373 NEMLALZZUSYZIN-CHWSQXEVSA-N 317.349 -0.591 30 20 DBED Cc1ccc(C#N)c(N2C[C@H](O)[C@H](NC(=O)[C@H](O)C(C)C)C2)n1 1091092005 TYPGPFFJOSTYJV-HZSPNIEDSA-N 318.377 -0.056 30 20 DBED C#CCN1C[C@@H](C)[C@H](CNC(=O)c2nccnc2C(N)=O)C1 1093181012 PYNWIROZRKNGQB-GHMZBOCLSA-N 301.350 -0.494 30 20 DBED Cc1cc(C#N)nc(NCCNC(=O)[C@H]2CN(C)CCO2)n1 1093543017 AAUCXDCSSSUDLE-GFCCVEGCSA-N 304.354 -0.485 30 20 DBED N#Cc1c[nH]ccc1=NCCNC(=O)CNC(=O)N1CCCC1 1093892889 HWFHZGOVDBEBIP-UHFFFAOYSA-N 316.365 -0.291 30 20 DBED CC#CCN1CC(n2cc(CNC(=O)C3=COCCO3)nn2)C1 1094274013 CYUXVVHZPHFEID-UHFFFAOYSA-N 317.349 -0.338 30 20 DBED CN(CCCNC(=O)CCn1cncn1)c1ccc(C#N)nn1 1095479390 FVGPMRWRXGKOJW-UHFFFAOYSA-N 314.353 -0.027 30 20 DBED CN1C[C@@H](C(=O)NCCCN(C)c2cncc(C#N)n2)CC1=O 1095761905 SJMQNHLQHDIXFZ-NSHDSACASA-N 316.365 -0.231 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCN(c2nc(C)cc(C)n2)C1 1096359638 FLEVFEJMXUDLEO-CYBMUJFWSA-N 315.377 -0.072 30 20 DBED N#Cc1nccnc1N[C@H](CNC(=O)Cn1cnnn1)C1CC1 1096568532 ZNTCECWLNCJERA-LLVKDONJSA-N 313.325 -0.658 30 20 DBED C[C@H](CNC(=O)c1cnn(C)c1N)Nc1cncc(C#N)n1 1097762101 CYBIIDVXBTVUTK-MRVPVSSYSA-N 300.326 -0.106 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2cc[n+]([O-])cc2)[C@H](O)C1 1099639588 MCCDMUMZXOUDMF-HUUCEWRRSA-N 319.361 -0.865 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)Cn2cccn2)[C@@H](O)C1 1099663132 JRQJTNSIDGSKCV-KBPBESRZSA-N 308.382 -0.363 30 20 DBED Cn1nncc1CN1CC[C@H](NC(=O)CSCC#N)[C@@H](O)C1 1099690637 RTYJHKKPSRKAJG-RYUDHWBXSA-N 324.410 -0.877 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)COC(C)C)[C@H](O)C1 1099725769 YWGACIBWRCBTDV-CHWSQXEVSA-N 313.398 -0.735 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2n[nH]c(C)c2O)[C@@H](O)C1 1099771214 DDBDDODOSZHOBN-NEPJUHHUSA-N 322.365 -0.761 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CCN(CCCCC)C[C@H]1O 1099788004 ANISQBSSLHNYEU-UONOGXRCSA-N 309.410 -0.133 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CCc2ccncn2)[C@H](O)C1 1099855306 GATALMHPPMFZNT-HUUCEWRRSA-N 302.378 -0.016 30 20 DBED C=C(Cl)CN1CC[C@H](NC(=O)CCS(C)(=O)=O)[C@H](O)C1 1099892084 HIAWUASGJUZRHT-WDEREUQCSA-N 324.830 -0.275 30 20 DBED CN(CCNC(=O)CN1CCCC1=O)c1nccnc1C#N 1099921649 FFVOAFFFVRZEHT-UHFFFAOYSA-N 302.338 -0.477 30 20 DBED C=C(C)C(C)(C)C(=O)N[C@@H]1CCN(CC(=O)NCC#N)C[C@H]1O 1099947531 XDABOKSAWLFKAG-CHWSQXEVSA-N 322.409 -0.220 30 20 DBED C=CCCN1CC[C@@H](NC(=O)CCCS(C)(=O)=O)[C@@H](O)C1 1100031261 BZZSDNWHOWZECH-OLZOCXBDSA-N 318.439 -0.061 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)c2ncccn2)[C@@H](O)C1 1100040888 BHDCRVKFSVSPTP-STQMWFEESA-N 306.366 -0.156 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)C[C@@H]2CCN(C)C2)C1 1100872960 PMOJPZKVPMPMBK-NFOMZHRRSA-N 320.437 -0.438 30 20 DBED N#Cc1cnc(N(CCNC(=O)Cn2cnnn2)C2CC2)cn1 1101280996 IIYLCRAOMYDNKK-UHFFFAOYSA-N 313.325 -0.880 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1C 1101946792 KGINILIWEQOXRB-VXGBXAGGSA-N 308.382 -0.475 30 20 DBED CNC(=O)NCC(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(C#N)cn1 1102574399 PMRFIWFWVFZGEN-QWRGUYRKSA-N 315.337 -0.933 30 20 DBED CC[C@H](CNC(=O)CO[C@H]1CCOC1)N=c1cc[nH]c(C#N)n1 1103196181 KNSDMFUUMRYGFB-NEPJUHHUSA-N 319.365 -0.118 30 20 DBED CC[C@@H](CNC(=O)C1(C(N)=O)CC1)Nc1ccc(C#N)nn1 1103281736 QSKAAJFMELBHOM-VIFPVBQESA-N 302.338 -0.080 30 20 DBED C[C@H](CNC(=O)Cc1nc[nH]n1)CNc1cnc(C#N)cn1 1104075189 JLFYLABIINCQSC-VIFPVBQESA-N 300.326 -0.127 30 20 DBED C[C@@H](CNC(=O)CC(=O)N(C)C)CNc1cncc(C#N)n1 1104229518 MYJCBOBCQJTSBX-SNVBAGLBSA-N 304.354 -0.009 30 20 DBED C#CCNCC[C@@H]1CN(C(=O)CCNC(=O)COC)C[C@H]1C 1104262860 QLDOYGYHGICTRU-ZIAGYGMSSA-N 309.410 -0.154 30 20 DBED COC(=O)NCC(=O)N(C)[C@H](C)CN=c1cc[nH]c(C#N)n1 1104475923 XNKKRQCGMGRFGE-SECBINFHSA-N 306.326 -0.615 30 20 DBED C=CCCC(=O)N1CC(n2cc(CN[C@H](C)C(=O)NC)nn2)C1 1105183522 SUHPXUMSRQLZKM-LLVKDONJSA-N 320.397 -0.148 30 20 DBED C=CCNCc1cn(C2CN(C(=O)[C@H](C)n3cncn3)C2)nn1 1105215939 LKKPEFSUSYNEGQ-NSHDSACASA-N 316.369 -0.210 30 20 DBED Cc1nnsc1C(=O)NC[C@H](O)CNc1nccnc1C#N 1105744262 MSRZAOCGWIGMNV-MRVPVSSYSA-N 319.350 -0.289 30 20 DBED Cn1cccc1C(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1 1105755908 ZGUXXALYFNWLBX-SNVBAGLBSA-N 300.322 -0.689 30 20 DBED Cn1cnc(C(=O)NC[C@@H](O)CNc2ncccc2C#N)c1 1105791623 CEEXUUYONYUTEW-NSHDSACASA-N 300.322 -0.110 30 20 DBED CN1CC[C@@H](C(=O)NC[C@H](O)CNc2cncc(C#N)n2)C1 1105853689 PUXMENMBDPGKOH-ZYHUDNBSSA-N 304.354 -0.811 30 20 DBED CCn1cc(C(=O)NC[C@@H](O)CNc2ccc(C#N)nc2)nn1 1105953944 LBNVXSAEWBOALN-LBPRGKRZSA-N 315.337 -0.233 30 20 DBED C#CCOCCC(=O)NC[C@@H](O)CNc1cc(C)nc(OC)n1 1105967151 WBUSPLAEXCEPMP-LBPRGKRZSA-N 322.365 -0.277 30 20 DBED CCN(CCNc1ccc(C#N)nn1)C(=O)CCNC(N)=O 1106764005 CXVDXQSFRNIVDR-UHFFFAOYSA-N 305.342 -0.333 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)[C@@H]1CCC(=O)N1 1106808243 FDMIZVQZHQYJTJ-JTQLQIEISA-N 302.338 -0.691 30 20 DBED C#CCOCCC(=O)NCc1cn(C2CN(CCCO)C2)nn1 1107169637 ORNVVTRPZMNSBL-UHFFFAOYSA-N 321.381 -0.827 30 20 DBED Cc1cc(=NC/C=C\CNC(=O)[C@H]2CNC(=O)N2)c(C#N)c[nH]1 1107492560 NHVFNTKTESZEHV-XQJDBVBESA-N 314.349 -0.551 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)[C@H](OC)c2cnn(C)c2)C1 1108100019 QFTNLYMXTRGXMI-ZBFHGGJFSA-N 320.393 -0.052 30 20 DBED C=CCCN1CC(N2C[C@@H](NC(=O)[C@H](C)NC(C)=O)CC2=O)C1 1108500656 WTKFZRWVPKKTOQ-AAEUAGOBSA-N 322.409 -0.512 30 20 DBED C=C[C@](C)(CC)C(=O)N[C@@H]1CC(=O)N(C2CN(CC(N)=O)C2)C1 1108569043 BEZBSCHXWCBJAP-BDJLRTHQSA-N 322.409 -0.525 30 20 DBED C[C@@H](CN(C)c1nccnc1C#N)NC(=O)c1nccnc1N 1108885868 NSVVUQBVNOFOHC-VIFPVBQESA-N 312.337 -0.025 30 20 DBED C=CCOCCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cn1cnnn1 1108908786 ZLJHGKYHUJXARB-AGIUHOORSA-N 306.370 -0.403 30 20 DBED C[C@@H](CN(C)c1ccnc(C#N)n1)NC(=O)[C@]1(C)CNC(=O)C1 1109157074 VZQPRTPNPHNENS-BONVTDFDSA-N 316.365 -0.185 30 20 DBED C[C@H](CC(N)=O)C(=O)N(C)CCCN=c1cc[nH]c(C#N)n1 1109580381 RPEGYIZBDCEYDH-SNVBAGLBSA-N 304.354 -0.458 30 20 DBED CN1CCO[C@@H](C(=O)NCC2(Nc3nccnc3C#N)CC2)C1 1110090838 MGMKXONMQYSUBZ-GFCCVEGCSA-N 316.365 -0.260 30 20 DBED N#Cc1nccnc1NC1(CNC(=O)[C@@H]2COC(=O)N2)CC1 1110121857 PQFXKIJLZBAIHP-VIFPVBQESA-N 302.294 -0.483 30 20 DBED CN1C[C@H](C(=O)NCC2(Nc3nccnc3C#N)CC2)CC1=O 1110381210 YNDATMIMSUSZIY-SNVBAGLBSA-N 314.349 -0.113 30 20 DBED CC(=O)NCC(=O)N1C[C@@H]2CN(c3ccnc(C#N)n3)C[C@@H]2C1 1111286647 RZTILRBIWOXYJA-TXEJJXNPSA-N 314.349 -0.621 30 20 DBED N#Cc1nccnc1NCCN(CCO)C(=O)c1ccncn1 1111500225 ULACXOSRAZEFOT-UHFFFAOYSA-N 313.321 -0.315 30 20 DBED C[C@@H](C#N)C(=O)N[C@]12CCC[C@H]1CN(CC(=O)NCC#N)C2 1111660317 DLGXMWCTZITALK-HUBLWGQQSA-N 303.366 -0.243 30 20 DBED CN(C)CCC(=O)N1CCO[C@@H](CNc2cnc(C#N)cn2)C1 1111962397 WWQBEFOJLYMJON-ZDUSSCGKSA-N 318.381 -0.061 30 20 DBED C[C@H](C#N)C(=O)N1CCN(CC(=O)NC(=O)NC2CC2)CC1 1112711945 WVHIDXOCUWVZIL-SNVBAGLBSA-N 307.354 -0.722 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)c2ocnc2C)CC1 1112749475 AISSRXRGUPFUMQ-LBPRGKRZSA-N 304.350 -0.121 30 20 DBED Cc1cc(C#N)nc(N(C)[C@@H](C)CNC(=O)C2(C(N)=O)CC2)n1 1113845947 VNLSIJXYUGYAQT-JTQLQIEISA-N 316.365 -0.137 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)COCC3CC3)[C@H]2C1 1113924755 JIAVHNXNYGKVLF-UBHSHLNASA-N 319.405 -0.403 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@H]1[C@@H]2CN(Cc3nnnn3C)C[C@@H]21 1114194299 NUQCEPDAYLOMDM-XXSPCDMZSA-N 306.370 -0.916 30 20 DBED C#CCOCCC(=O)NC1[C@@H]2CN(Cc3cn(C)nn3)C[C@@H]12 1114266741 VXLDSVIDUPZQPY-CHWSQXEVSA-N 303.366 -0.599 30 20 DBED C=C(C)CCC(=O)NC1[C@@H]2CN(CCNS(C)(=O)=O)C[C@@H]12 1114353828 ZXZNLNKDHQLPBQ-VXGBXAGGSA-N 315.439 -0.062 30 20 DBED CC(=O)NCC(=O)NCC1[C@H]2CN(c3ccnc(C#N)n3)C[C@H]12 1114502984 DXNGTLVBSYWRMT-VXGBXAGGSA-N 314.349 -0.717 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)CN3CC[C@@H](C)C3)[C@@H]2C1 1114832141 MDALRNLYFWXFOY-MGPQQGTHSA-N 320.437 -0.323 30 20 DBED CC#CCN1C[C@@H]2C(NC(=O)C(=O)NCC(F)(F)F)[C@H]2C1 1115026063 RZHZNKNUDHHEHS-IUCAKERBSA-N 303.284 -0.265 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3nocc3C)[C@H]2C1 1115074651 QALKWIVFPBBKAV-YABSGUDNSA-N 302.334 -0.608 30 20 DBED CCOCCOCC(=O)NC1[C@H]2CN(CC#CCOC)C[C@H]12 1115308364 AFUIYROUPOQPIS-KBPBESRZSA-N 310.394 -0.264 30 20 DBED CC(C)OCCCC(=O)NC1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]12 1115344479 WXASHERELNXBCO-CHWSQXEVSA-N 322.409 -0.122 30 20 DBED N#C[C@]1(NC(=O)Cn2cc(S(N)(=O)=O)cn2)CCSC1 1116913255 UIAVGTSTDKVOLH-SNVBAGLBSA-N 315.380 -0.954 30 20 DBED C#CC1CCN(C(=O)C(=O)NCCNC(=O)c2cc[nH]n2)CC1 1118162464 PWSRASMEEJRGKN-UHFFFAOYSA-N 317.349 -0.873 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)c2cc[n+]([O-])cc2)nn1 1121009957 HHOIDBVSZAABMF-GFCCVEGCSA-N 314.305 -0.816 30 20 DBED Cc1ocnc1C(=O)NC[C@H](CO)Nc1nccnc1C#N 1121166158 WWSKDFMPWCNIJN-SECBINFHSA-N 302.294 -0.153 30 20 DBED CC[C@H](C(=O)NC[C@@H](CO)Nc1nc(C)cc(C#N)n1)N(C)C 1121812870 QTDCHLDHZSZFKU-QWHCGFSZSA-N 320.397 -0.114 30 20 DBED N#Cc1nc(=N[C@@H](CO)CNC(=O)C2(CF)CCC2)cc[nH]1 1122585634 RKNBVIICGCHGCO-SNVBAGLBSA-N 307.329 -0.201 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@H](CO)Nc1ccc(C)nn1 1122769980 NVKGIDAGGNIAJY-KBPBESRZSA-N 317.393 -0.228 30 20 DBED N#Cc1nc(=N[C@@H](CO)CNC(=O)Cc2ccccc2)cc[nH]1 1122809366 VYSJUVPDSVCZFH-CYBMUJFWSA-N 311.345 -0.098 30 20 DBED C[C@H]1[C@H](N=c2cc[nH]c(C#N)n2)CCN1C(=O)CCCC(N)=O 1123027593 GZDNBQVVIQBCPT-WDEREUQCSA-N 316.365 -0.173 30 20 DBED Cc1cc(C#N)nc(NC[C@H](O)CN(C)C(=O)[C@@H]2CCOC2)n1 1124141128 QGHDGLIMMWUONE-YPMHNXCESA-N 319.365 -0.076 30 20 DBED CC[C@H](OC)C(=O)N(C)C[C@@H](O)CN=c1cc[nH]c(C#N)n1 1124150938 ZBHOPWVCVGMXAW-QWRGUYRKSA-N 307.354 -0.574 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)CCOCC 1124723351 SODNHBUNKMTKPM-NSHDSACASA-N 314.386 -0.481 30 20 DBED C#CCCN[C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@@H]1n1ccnn1 1129685161 OKINKKAQMBYZNM-ILXRZTDVSA-N 316.409 -0.263 30 20 DBED C=CCCC(=O)NCc1nc([C@H]2C[C@H](F)CN2CC(N)=O)n[nH]1 1131148271 BMXSSGOIMUWFPR-VHSXEESVSA-N 324.360 -0.043 30 20 DBED C[C@@H]1CN(C(=O)CCNC(N)=O)C[C@]2(CCN(CC#N)C2)O1 1131697909 STIAATPMIDZGPZ-BXUZGUMPSA-N 309.370 -0.740 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)C[C@@H](C)NCC(=O)NC(C)C 1134131383 VMSLIJONZACIGA-OLZOCXBDSA-N 324.425 -0.477 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)CCn1ccnn1 1134194363 SEBXPEXGCZCMOO-OLZOCXBDSA-N 320.397 -0.710 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)c1cn(CC)nn1 1135998826 KWMYQAUJIBVPEE-UHFFFAOYSA-N 321.385 -0.620 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)Cc1cnn(CC)c1 1147402458 QCFYVBUKRLTMKL-GFCCVEGCSA-N 305.382 -0.711 30 20 DBED C=CCOCCN1CCC2(C1)CN(C(=O)CNC(=O)NC)C2 1147669139 AGAIAVJGBJVLAF-UHFFFAOYSA-N 310.398 -0.348 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC2(CN(C(=O)c3cnn[nH]3)C2)C1 1147846640 HTLFLORGZIJLFV-LLVKDONJSA-N 316.365 -0.910 30 20 DBED C=C(C)CN1CCC2(C1)CN(C(=O)CNS(=O)(=O)NC)C2 1147972421 QTQXFBHLMUGSKS-UHFFFAOYSA-N 316.427 -0.849 30 20 DBED C#CCNC(=O)[C@H](C)N1CCCO[C@H](CNC(=O)C(C)C)C1 1149193976 DKRSLKGVHSALTL-UONOGXRCSA-N 309.410 -0.013 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CN(CCS(C)(=O)=O)CCCO1 1149409837 VTZXWSGPLNSNKE-NEPJUHHUSA-N 317.411 -0.602 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)CCn2cnccc2=O)C1 1150519528 XKPXTTCFWFLVAQ-CQSZACIVSA-N 318.377 -0.526 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)NCCNCCOCC 1152404502 GKJNDHAMVVNCKQ-UHFFFAOYSA-N 300.403 -0.008 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)C[C@H]1CCOC1 1152500459 WXOOFZGRURIBFY-ZIAGYGMSSA-N 309.410 -0.011 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)c1ccc(C)nn1 1153281450 NXGDRMJXBFHXFI-CYBMUJFWSA-N 317.393 -0.025 30 20 DBED C=CCNC(=O)CN(CC)[C@H](C)CNC(=O)[C@H]1CC(=O)N(C)C1 1153699727 LEFXRVZDAUDXSZ-OLZOCXBDSA-N 324.425 -0.407 30 20 DBED C#CCCNCCCNC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 1162995648 BCBJTVKAMMWTJJ-CVEARBPZSA-N 323.437 -0.015 30 20 DBED CC#CCNCC1(CCNC(=O)CN(C)C(=O)COC)CC1 1165299279 ATSRVAPLRACWQP-UHFFFAOYSA-N 309.410 -0.009 30 20 DBED C=CCn1cc(C(=O)NCCCN[C@H]2CCN(CC)C2=O)nn1 1167839064 SJYUSOKDCFJBPE-LBPRGKRZSA-N 320.397 -0.206 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H](C)CCCCNCC(=O)NCC#N 1170743877 ZKSFRPPIOPRBNI-ZIAGYGMSSA-N 322.409 -0.071 30 20 DBED C=C(Cl)CNCCCNC(=O)CN1C(=O)CN(C)C1=O 1175549003 AYSLHMNBCJXALH-UHFFFAOYSA-N 302.762 -0.271 30 20 DBED CCc1onc(C)c1C(=O)NCCCNCC(=O)NCC#N 1175776087 HNUMAZXVCVPHSS-UHFFFAOYSA-N 307.354 -0.105 30 20 DBED C#CCN1CCC(C(=O)NCCCNCC(=O)NCC=C)CC1 1176926688 SXJCAQWORWWZSU-UHFFFAOYSA-N 320.437 -0.270 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)C2=COCCO2)C1 1180780248 JBDVBWARKZTQTK-NWDGAFQWSA-N 307.350 -0.797 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)CC[C@H]2CCCO2)C1 1181065901 NCBBNCCFFACTHV-ZIAGYGMSSA-N 307.394 -0.115 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H](C)OCC(C)C)C1 1181359467 XMURLTZCUDJXMM-ZIAGYGMSSA-N 309.410 -0.013 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1 1182660606 CBYXBKNMFGZGMR-MGPQQGTHSA-N 307.394 -0.259 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)c2cnnc(O)c2)C1 1183465438 JGBFCPQFVMLQQU-LLVKDONJSA-N 305.338 -0.712 30 20 DBED CC#CCCCC(=O)N1CC[C@H]2CN(CC(=O)NC(N)=O)C[C@H]21 1188855105 BOIHMQMOQQBFBU-QWHCGFSZSA-N 320.393 -0.092 30 20 DBED Cc1ocnc1C(=O)N1CC[C@@H](N(C)CC(=O)NCC#N)C1 1189152278 VYMPLOUQSYCGSB-LLVKDONJSA-N 305.338 -0.231 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)/C=C(/C)C2CC2)C1 1191410290 YPUJGLRTMDEGCE-XAVULWGNSA-N 307.394 -0.194 30 20 DBED C=C(C)CCN(C)[C@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 1191697390 UIUYNHKEIVVQMC-AWEZNQCLSA-N 308.426 -0.083 30 20 DBED CC(C)CC(C)(C)C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1O 1197596346 ISZRMRLYZQCIAA-CHWSQXEVSA-N 324.425 -0.140 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)CCc2nc[nH]n2)CC1 1199994326 RJQFCTRGVXKDEW-UHFFFAOYSA-N 318.381 -0.933 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)c2conc2C)CC1 1202280001 FYAAWJPJCIEWNB-UHFFFAOYSA-N 304.350 -0.073 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(CC(=O)NCCC)C[C@H]1C 1206887395 JLBZTJCSLBSZTR-CHWSQXEVSA-N 322.409 -0.911 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)CCn2ccnn2)C1 1207898139 LBFGLHMJXYGMOS-CYBMUJFWSA-N 320.397 -0.449 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2nocc2C)[C@H](OC)C1 1213674035 SJBCHZDXZVILJB-VXGBXAGGSA-N 320.349 -0.839 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(CCOCCO)C[C@H]1OC 1213959331 DIOLWUOIKWXTTA-ZIAGYGMSSA-N 316.398 -0.597 30 20 DBED C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1NCC(=O)NCC#N 1214167973 VJJZQSCRDCXVIR-GHMZBOCLSA-N 309.395 -0.681 30 20 DBED CC#CCN[C@@H]1CN(C(=O)CS(=O)(=O)CCOC)C[C@H]1C 1214984415 MRDBEXDXZUCHIR-CHWSQXEVSA-N 316.423 -0.493 30 20 DBED CC#CCN[C@@H]1CN(C(=O)c2nc(O)nc(O)c2OC)C[C@H]1C 1216374737 NGPVTGYWTWCGNC-NXEZZACHSA-N 320.349 -0.030 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CS(=O)(=O)CC 1219053871 NRWAMNOTRLICQE-QWHCGFSZSA-N 314.407 -0.644 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2nncs2)C[C@@H]1O 1219612101 YQRJCWMOAPIOCV-MNOVXSKESA-N 310.379 -0.761 30 20 DBED CC#CCCCC(=O)N[C@@H]1CN([C@H]2CCCN(C)C2=O)C[C@@H]1O 1220184604 MBXWMIGBTNAAJR-ILXRZTDVSA-N 321.421 -0.038 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)[C@@H](C)c2cnn(C)c2)C1 1221202425 ABJWIROQOUHDGO-CFVMTHIKSA-N 320.393 -0.665 30 20 DBED CCNC(=O)CN1CC[C@@H]2CN(C(=O)CSCC#N)[C@@H]2C1 1221289754 ZEPTYQAKQVZAHK-VXGBXAGGSA-N 310.423 -0.088 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)[C@@H](C(C)C)N(C)C)CC1 1229058523 PQZNIEJVHWHLJK-MRXNPFEDSA-N 322.453 -0.097 30 20 DBED C=CCNC(=O)CN1CC[C@H]1CN(C)C(=O)Cc1cnn(C)c1 1231161331 LREPMMRDOZULKT-AWEZNQCLSA-N 319.409 -0.203 30 20 DBED CC(=O)NCCOCCN1CC[C@@H]1CN(C)C(=O)[C@H](C)C#N 1231292141 BBXHWEOYCBUHPC-TZMCWYRMSA-N 310.398 -0.169 30 20 DBED C[C@H](C#N)C(=O)N(C)C[C@@H]1CCN1CCNS(C)(=O)=O 1231293350 MGWPIVPXPHNFEO-MNOVXSKESA-N 302.400 -0.772 30 20 DBED CCN(CCC#N)C(=O)CN1C(=O)NC2(CCOCC2)C1=O 1251555276 IXUPZCHTDXLYRF-UHFFFAOYSA-N 308.338 -0.150 30 20 DBED C[C@@H](NC(=O)C(=O)N1CCO[C@H](C#N)C1)C1=CCN(C)CC1 1261181968 HTBMLZVVEPEGCC-DGCLKSJQSA-N 306.366 -0.496 30 20 DBED C=CCn1cc(CNC(=O)C(=O)NCCCCC(=O)O)nn1 1262033538 CWOVOVDMPRDKAU-UHFFFAOYSA-N 309.326 -0.549 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@H]1CCCN1C(=O)c1csnn1 1277911209 WHHAASZIKYZMIC-GHMZBOCLSA-N 321.406 -0.130 30 20 DBED O=C(CON=C1CCCOCC1)N[C@H]1CCS(=O)(=O)C1 1319897682 CNLLVUHSYUDNHV-NSHDSACASA-N 304.368 -0.137 30 20 DBED C=CCS(=O)(=O)CCNC(=O)CCCN1C(=O)CNC1=O 1320144317 VOORUURCSAZXEN-UHFFFAOYSA-N 317.367 -0.965 30 20 DBED C#C[C@@H](C)N(C)C(=O)C(=O)Nc1cccc(S(N)(=O)=O)c1 1322124971 UEZPSATZIFRXAF-SECBINFHSA-N 309.347 -0.247 30 20 DBED Cn1nnc2c1C[C@@H](C(=O)NS(=O)(=O)CCCC#N)CC2 1323919949 UVYBXVXAQVOUJO-VIFPVBQESA-N 311.367 -0.330 30 20 DBED COC(=O)NC1CN(C(=O)C(=O)N2CCC[C@](C)(C#N)C2)C1 1327243833 OPWFGCMGMMFFMZ-CQSZACIVSA-N 308.338 -0.295 30 20 DBED C=C(C)CN(C)C(=O)C(=O)N[C@H]1CCN(C2CCOCC2)C1=O 1331028401 FBMZKALGMCHSBT-ZDUSSCGKSA-N 323.393 -0.083 30 20 DBED C=CCNC(=O)Cn1nnnc1N1CCC2(CC1)OCCCO2 1337175602 VPKKEGXTHZFTBM-UHFFFAOYSA-N 322.369 -0.291 30 20 DBED C#CCNCC(=O)N1CCc2ccc(S(=O)(=O)NC)cc21 1340727419 QPOZJPKPMJMQSD-UHFFFAOYSA-N 307.375 -0.293 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)NCCS(=O)(=O)C(C)(C)C 1346327478 QEBBCTBBOUNKKM-JTQLQIEISA-N 320.411 -0.367 30 20 DBED C#CCCN(CCOC)CC(=O)N[C@H]1CCS(=O)(=O)C1 1347146099 XXCWLXPWOICOOH-LBPRGKRZSA-N 302.396 -0.739 30 20 DBED C=CCCN(C)C(=O)C(=O)NC[C@H]1CC[C@@H](C(=O)N(C)C)O1 1347193746 IVJCGYPXRLFPIL-NEPJUHHUSA-N 311.382 -0.227 30 20 DBED C=CCn1c(C2=NNC(=O)C2)nnc1N1CCO[C@H](COC)C1 1356038184 LDCQSYCETYCXNE-JTQLQIEISA-N 320.353 -0.460 30 20 DBED N#Cc1cc(C(=O)NC[C@]2(O)CCS(=O)(=O)C2)cs1 1362960449 WMXSSXTUENAICY-LLVKDONJSA-N 300.361 -0.101 30 20 DBED COC[C@@H](NC(=O)Cn1cc(C#N)c(O)nc1=O)[C@H]1CCCO1 1363093960 WCBQHYKNWWGLAV-GHMZBOCLSA-N 322.321 -0.869 30 20 DBED C[C@H](c1nnnn1C)N1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 1364938570 DQEFROGSKUFODZ-SNVBAGLBSA-N 314.353 -0.071 30 20 DBED N#C[C@H]1CN(S(=O)(=O)NCC2CC3(C2)OCCO3)CCO1 1364953994 MYNFDKUIMBPJGK-NSHDSACASA-N 317.367 -0.802 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CN(C)C(=O)Cc1ccc(F)cn1 1370998620 ILXPYBSSPMGOBS-GXFFZTMASA-N 322.340 -0.142 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C)C(=O)Cn1nnc2c1CCCC2 1373650549 UZIGOCGLGYGAFO-NSHDSACASA-N 318.381 -0.109 30 20 DBED CN(CCNC(=O)[C@@H]1CCC(=O)N1)C(=O)c1c[nH]c(C#N)c1 1387946170 YRDQHWMPZSQQQZ-NSHDSACASA-N 303.322 -0.647 30 20 DBED C=C(Cl)CNC[C@@H](C)NC(=O)Cn1ccc(=O)n(C)c1=O 1406361919 OVUWRXZBXHBSJC-SNVBAGLBSA-N 314.773 -0.606 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(Cc2nnn(C(C)(C)C)n2)C1 1407398431 MXFRBGDROLPTBN-JTQLQIEISA-N 321.385 -0.749 30 20 DBED Cc1nccc(CCC(=O)NC[C@H](O)CNC(=O)[C@@H](C)C#N)n1 1416778819 PGDBGZFHJDRUIP-GWCFXTLKSA-N 319.365 -0.529 30 20 DBED C[C@H](CNCc1ccc(F)c(C#N)c1)NC(=O)Cn1cnnn1 1420260403 GFQIITKCHBPWCF-SNVBAGLBSA-N 317.328 -0.022 30 20 DBED CC[C@@H](C)NC(=O)CNC[C@H](O)CNC(=O)c1cc(C#N)c[nH]1 1422291413 WLZNRBVHWLWIDA-PWSUYJOCSA-N 321.381 -0.519 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCN1CCN(C(=O)[C@H]2CCCO2)CC1 1430062485 SEFAEOUUYWMETK-UONOGXRCSA-N 322.409 -0.072 30 20 DBED C[C@@H](C#N)C(=O)N1CC(CNC(=O)[C@H](C)CN2CCOCC2)C1 1430371880 UTVZLOWUQKXYRE-QWHCGFSZSA-N 322.409 -0.311 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)CCc1cncs1 1433338030 PJZRSGNONGPCJN-UWVGGRQHSA-N 310.379 -0.171 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@@H]2CCN2C(=O)CCCC(N)=O)c1 1453139703 WVOGCOGTFGXFMH-NSHDSACASA-N 317.349 -0.127 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H](CNC(=O)c1ccc(O)nn1)C1CC1 1524320008 FRKXYKPQBUNUMO-KWQFWETISA-N 303.322 -0.034 30 20 DBED C=CCOC[C@@H](NC(=O)CN1CCCCC(=O)C1=O)C(=O)O 1573369739 YZISPDHRBUTXFZ-SNVBAGLBSA-N 312.322 -0.660 30 20 DBED CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CO)C(=O)O 1573496976 DAMHYUVWMALBKQ-ZJUUUORDSA-N 314.338 -0.145 30 20 DBED N#Cc1ccnc(N2CCN(C(=O)[C@@H](O)CC(=O)O)CC2)c1 1574248046 AJLJSIXABVSUPC-NSHDSACASA-N 304.306 -0.563 30 20 DBED C#CC[C@@H](CCOC)NC(=O)Cn1cnc(-c2nn[nH]n2)n1 1588331026 IVJWIEOZZYDAPX-VIFPVBQESA-N 304.314 -0.997 30 20 DBED C#C[C@H]1COCCN1C(=O)N[C@@H]1CCCCN(CC(=O)O)C1=O 1588388948 IZHUZSBIVHRLBQ-NWDGAFQWSA-N 323.349 -0.504 30 20 DBED C#CCN(CC(=O)O)c1nnc(C[C@H](C)O)n1C[C@@H]1CCCO1 1588426818 CYSXUOGJWUYEBA-RYUDHWBXSA-N 322.365 -0.095 30 20 DBED C#CCNC(=O)CN1CCCN(c2ncc(C(=O)O)cn2)CC1 1588483631 FVHZYRNJWRZSSG-UHFFFAOYSA-N 317.349 -0.564 30 20 DBED C=CCOC[C@H](NC(=O)c1ccc2c(c1)C(=O)NC2=O)C(=O)O 1588862278 UVSJDLPEEFARPS-NSHDSACASA-N 318.285 -0.044 30 20 DBED CC(C)(C#N)CNC(=O)NCCn1cnc(-c2nn[nH]n2)n1 1589035893 AMLPAEDNZQSHJJ-UHFFFAOYSA-N 304.318 -0.693 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC(NC(=O)[C@H]3C[C@H]3C(=O)O)C2)c1 1601084145 JZPZINRWSKDCTM-VHSXEESVSA-N 302.290 -0.452 30 20 DBED N#Cc1ccc(C(=O)N2CCN([C@]3(C(=O)O)CCOC3)CC2)[nH]1 1601092051 GSOWCFLWTTUSLF-OAHLLOKOSA-N 318.333 -0.112 30 20 DBED N#Cc1ccsc1C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)O 1601129505 HPNVAUOTMHYFDS-MRVPVSSYSA-N 314.344 -0.056 30 20 DBED C#CCN(CC(=O)O)C(=O)c1cn(C)c2c(cnn2C)c1=O 1602692345 KZFSNTIFUFNNAS-UHFFFAOYSA-N 302.290 -0.568 30 20 DBED O=C(N[C@H]1CCN(O)C1=O)c1ccc(F)c(-c2nn[nH]n2)c1 1606678453 VDWIDWGBRGJNON-VIFPVBQESA-N 306.257 -0.274 30 20 DBED C=CCOC[C@@H](NS(=O)(=O)c1cncc(C#N)c1)C(=O)O 1609452742 VWXZLKSFCJHSFV-LLVKDONJSA-N 311.319 -0.113 30 20 DBED C#CCN1CCN(CCCNC(=O)c2cn(C)c(O)n2)CC1 1752352103 JBIVYGFTUJJGQV-UHFFFAOYSA-N 305.382 -0.504 30 20 DBED CC(C)C#CC(=O)N(C)CCNCc1cc(=O)n(C)c(=O)n1C 1753187335 BYNHPWZXFDZCRB-UHFFFAOYSA-N 320.393 -0.709 30 20 DBED COCC#CCN1CC(NC(=O)C(C)(C)N2CCOCC2)C1 1753389641 NFVNPGPSSVXYST-UHFFFAOYSA-N 309.410 -0.453 30 20 DBED C#CCNC(=O)CNC[C@H](O)CNC(=O)[C@H](C)c1ccco1 1753927565 MMHLHOHRXRSBLH-NEPJUHHUSA-N 307.350 -0.801 30 20 DBED C#CCNC(=O)CN1CCC[C@](C)(CNC(=O)COCC)C1 1754724700 RMGRTQOBNTXVCF-MRXNPFEDSA-N 309.410 -0.009 30 20 DBED C#CCNC(=O)CN(C)[C@@H](C)CNC(=O)Cc1[nH]cnc1C 1755325316 WXZFTPSTHOTWNB-NSHDSACASA-N 305.382 -0.553 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@H](C)CNC(=O)c1ccnc(C)n1 1755326702 VLMSEYOVKQLURI-VXGBXAGGSA-N 317.393 -0.027 30 20 DBED COCC#CCN1CC(CCO)(NC(=O)c2[nH]c(O)nc2C)C1 1755332758 LHRJPPUGIXWIPB-UHFFFAOYSA-N 322.365 -0.760 30 20 DBED C=CCNC(=O)CN[C@H](C)[C@@H]1CN(C(=O)c2cnco2)CCO1 1755444461 LRBONLIWPBIQOR-YPMHNXCESA-N 322.365 -0.204 30 20 DBED C[C@H](CN(C)C(=O)CCc1cnccn1)NCC(=O)NCC#N 1755609933 ILBQUOGDCUMGBE-GFCCVEGCSA-N 318.381 -0.515 30 20 DBED C#CCNC(=O)CN[C@H](C)CN(C)C(=O)COc1cccnc1 1755612079 ASDCKAPCXBNFAH-CYBMUJFWSA-N 318.377 -0.354 30 20 DBED C#CCNC(=O)CN1CCC[C@@H](NC(=O)c2nonc2C)[C@@H]1C 1755723530 QQGUQDJZHBKPMJ-NWDGAFQWSA-N 319.365 -0.290 30 20 DBED C#CCNC(=O)CN1CCC[C@H](NC(=O)c2cn(C)cn2)[C@@H]1C 1755732470 WFRKBWYSOLHQCO-STQMWFEESA-N 317.393 -0.248 30 20 DBED COCC#CCNC[C@H](O)CN(C)C(=O)CCc1nccn1C 1755783843 AVMNXDIIBGEWRF-AWEZNQCLSA-N 322.409 -0.589 30 20 DBED C=CCOCC(=O)NC[C@H](CO)NC(=O)c1ccccc1O 1756519198 TVPVOMMCKCFAII-LLVKDONJSA-N 308.334 -0.198 30 20 DBED C#CCOCCC(=O)N1C[C@H](NC(=O)Cn2cncn2)C[C@H]1C 1756590221 OGJYQBZKHNUAAG-CHWSQXEVSA-N 319.365 -0.576 30 20 DBED C=CCOCC(=O)NC[C@@H](O)CN(C)C(=O)c1cccc(O)n1 1756658320 RRWTWYMOFRGPHM-LLVKDONJSA-N 323.349 -0.461 30 20 DBED C#CCO[C@H](C)C(=O)NCC1=CCN(C(=O)CC(N)=O)CC1 1756769695 KRKSGZOYZKBNCA-LLVKDONJSA-N 307.350 -0.825 30 20 DBED CC(C)(C)C#CC(=O)N1C[C@H](O)[C@H](NC(=O)c2csnn2)C1 1757195236 ZIRBTTZAKWWDNN-KOLCDFICSA-N 322.390 -0.111 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)CC(N)=O 1757259160 ZTFVZGMWOCRLJQ-QJPTWQEYSA-N 309.366 -0.556 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@@H]1CN(C)C(=O)Cn1cccn1 1757274695 YLUXQDFMZDDVBQ-ZIAGYGMSSA-N 318.377 -0.019 30 20 DBED C#CCCC(=O)N1CCO[C@@]2(CCN(C(=O)CCC(N)=O)C2)C1 1783155714 BMAYVZLRZDYFBP-MRXNPFEDSA-N 321.377 -0.505 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccccn1 1795882328 SMHKDJRNALIZOQ-FVCICTRLSA-N 313.357 -0.153 30 20 DBED C=C1CC(C(=O)N2CCCC23CN(C(=O)CNC(N)=O)C3)C1 1841020641 SZOWAPXWCHGBRY-UHFFFAOYSA-N 306.366 -0.176 30 20 DBED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)C1CC(=O)C1)C2 1846197393 CVMAZHBNBVGXTM-UHFFFAOYSA-N 304.302 -0.743 30 20 DBED Cn1cc(C#N)c(=O)n(CC(=O)NC(=O)NC(C)(C)C)c1=O 11458640 LZRWDLIYDOQDJN-UHFFFAOYSA-N 307.310 -0.957 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(CC(=O)N2CCCC2)CC1 42627247 OTIGRKOWONQEPN-AWEZNQCLSA-N 306.410 -0.636 30 20 DBED N#CC1(NC(=O)CN2CCN(C(=O)CO)CC2)CCCCC1 89423774 DIXREQSPNOCUJG-UHFFFAOYSA-N 308.382 -0.534 30 20 DBED N#Cc1ccccc1OCCN1CCN(S(N)(=O)=O)CC1 125630625 SSXMAXKGBLJPFM-UHFFFAOYSA-N 310.379 -0.242 30 20 DBED C/N=C(/NC[C@]1(O)CCSC1)N1CCO[C@@H](COC)C1 261920522 KKJAADHHXDOQAU-DGCLKSJQSA-N 303.428 -0.223 30 20 DBED N#Cc1ccc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)c([N+](=O)[O-])c1 267514524 STDNXVVZGFOQDK-SNVBAGLBSA-N 315.289 -0.387 30 20 DBED C#CCCN1CCN(C(=O)c2ccc(S(N)(=O)=O)nc2)CC1 270652203 KIRPDELHLCOPCD-UHFFFAOYSA-N 322.390 -0.490 30 20 DBED CCN(C[C@H](C)C#N)C(=O)CN1CCNC(=O)[C@H]1CC(=O)OC 298744475 ZQHWDWUCDJUSND-VXGBXAGGSA-N 324.381 -0.642 30 20 DBED CCN(C[C@@H](C)C#N)C(=O)CN1CCN2C(=O)NC(=O)[C@@H]2C1 330515891 VXAXEIZUPQGCFW-QWRGUYRKSA-N 307.354 -0.769 30 20 DBED C=CC/N=C(/O)NC(=O)CN1CCC[C@@H]1CS(=O)(=O)NC 331178258 QJBGOFYWJRTJME-SNVBAGLBSA-N 318.399 -0.784 30 20 DBED CN1CCO[C@@H](CN(CC2CC2)C(=O)Cn2cnc(C#N)n2)C1 333088950 ZBPCXOCQVAUTBX-CYBMUJFWSA-N 318.381 -0.281 30 20 DBED COCCN(CCC#N)S(=O)(=O)NC[C@H](COC)OC 336913507 ZVEPCBOSJLPLBL-LLVKDONJSA-N 309.388 -0.656 30 20 DBED CCN(CCC#N)S(=O)(=O)N(C)CCN1CCOCC1 337072425 PLPMHSOEQAONEF-UHFFFAOYSA-N 304.416 -0.269 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N1CSC[C@H]1C(=O)N(C)C 337079397 UORPXOKJYLSBKI-UWVGGRQHSA-N 320.440 -0.214 30 20 DBED CC(C)COC[C@@H](O)CNS(=O)(=O)N1CCO[C@@H](C#N)C1 337085495 DKCCVRIEZBEEOG-RYUDHWBXSA-N 321.399 -0.921 30 20 DBED C=CCCOCCNC(=O)C(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@H]3O 342012202 BXZQDALRWZIGRO-QNSTZXKLSA-N 308.378 -0.077 30 20 DBED N#Cc1ncn(CCNC(=O)N[C@H](C(N)=O)c2ccccc2)n1 347620016 ZOPYPZJIKHXFGI-LBPRGKRZSA-N 313.321 -0.324 30 20 DBED CC[C@H](C)[C@@H](O)CNC(=O)C(=O)Nc1cc(C)n(CCC#N)n1 348810391 LXMBFRGQRGTHGP-JQWIXIFHSA-N 321.381 0.567 30 20 DBED COC(=O)CN1CCN(CC(=O)N[C@@](C)(C#N)C(C)C)CC1 349030788 SUWMKMQHESKLGT-HNNXBMFYSA-N 310.398 -0.169 30 20 DBED N#Cc1ccc2c(c1)N(C(=O)C(=O)NCc1nc(O)n[nH]1)CC2 355980088 PCVRYRDCAFPMFH-UHFFFAOYSA-N 312.289 -0.413 30 20 DBED COC(=O)[C@H](O)C1CCN(CCC(=O)N(C)CCC#N)CC1 357015598 CQNJXQZNTCMYMB-CQSZACIVSA-N 311.382 -0.006 30 20 DBED C[C@H](N1CCN(C(=O)NCC(=O)NCC#N)CC1)C(F)(F)F 358308170 HEGSZNADZHAZLZ-VIFPVBQESA-N 321.303 -0.096 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@H](n2cc(C(=O)OC)nn2)C1 375212727 XRJSGLNTXCAUCP-MNOVXSKESA-N 305.338 -0.551 30 20 DBED CC[C@@H]1CN(CC)CCN1c1c(C#N)c(=O)n(C)c(=O)n1C 408457480 OXCUDYGFXDHYFI-LLVKDONJSA-N 305.382 -0.124 30 20 DBED C[C@H]1CN(C(=O)CNc2ccc(C#N)cn2)C[C@@H](C)S1(=O)=O 427886641 PYIVTZLSSGUZKK-PHIMTYICSA-N 322.390 0.399 30 20 DBED C#CCN1CCN(C(=O)COc2cc[nH]c2C(=O)OC)CC1 491121321 QAZPPWLGTMTDSY-UHFFFAOYSA-N 305.334 -0.043 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@@H](C)S(C)(=O)=O 558561441 XMKSJUFSDLUELW-VHSXEESVSA-N 311.429 -0.265 30 20 DBED N#CCC1(O)CN(C(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)C1 569758750 QVHJLJMHYGGKNC-GHMZBOCLSA-N 305.334 -0.351 30 20 DBED CC#CC[C@H](CO)NS(=O)(=O)c1ccc(C(=O)OC)nc1 592112048 LBRZEFGLMOGSDS-SNVBAGLBSA-N 312.347 -0.079 30 20 DBED N#CCCn1ccc(NC(=O)N2C[C@@H]3COC[C@]3(C(=O)O)C2)n1 594696699 KEQKVBTYWUAUCU-QMTHXVAHSA-N 319.321 0.362 30 20 DBED CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)CNc1ccc(C#N)cc1 598024328 AJQIBXMQJGWXBB-CHWSQXEVSA-N 323.374 -0.102 30 20 DBED N#CCCN(CCN1CCOCC1)C(=O)[C@@H]1CCCNC1=O 601024387 YCHYBCZMLFWNRZ-CYBMUJFWSA-N 308.382 -0.413 30 20 DBED Cn1cc(C#N)c(NC(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)n1 611519470 STMWPFCDKWXARV-QMMMGPOBSA-N 303.282 -0.940 30 20 DBED C=C[C@H](O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC(N)=O 612349226 BCBFYXXUHATGQN-STQMWFEESA-N 319.361 -0.748 30 20 DBED C=CCCNS(=O)(=O)c1cnc2c(c1)c(O)nc(=O)n2C 657077541 UJRMIZHSVIRZCO-UHFFFAOYSA-N 310.335 -0.112 30 20 DBED C=CCCn1cc(CN[C@@H]2CS(=O)(=O)C[C@@H]2OC)nn1 657603152 IRIUNRQDBSRRJX-NEPJUHHUSA-N 300.384 -0.244 30 20 DBED C=C[C@H](O)C(=O)N1CCN([C@H](C)C(=O)NCCCOC)CC1 668237402 NFFFOZXBHJOLJE-OLZOCXBDSA-N 313.398 -0.781 30 20 DBED C=CCC1(O)CCN(C(=O)[C@@H](N)CCS(C)(=O)=O)CC1 717875046 DUFLFWBIHSTUNK-NSHDSACASA-N 304.412 -0.322 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)c1ccc(-c2nn[nH]n2)nc1 735381001 JNKBCKGGKKQVPL-QMMMGPOBSA-N 300.278 -0.444 30 20 DBED CN(C)CCN1C[C@@H](C(=O)Nc2cnn(CC#N)c2)CC1=O 746184241 UDLJOOPBKGSTIR-NSHDSACASA-N 304.354 -0.245 30 20 DBED CC[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1cnn(CC#N)c1 746395666 WUFDQRKMBTXKOA-SNVBAGLBSA-N 304.310 -0.918 30 20 DBED CCN1CCOC[C@H]1C(=O)OCC(=O)N(CCC#N)CCC#N 769078595 PUPMQHCDHHYBIU-ZDUSSCGKSA-N 322.365 -0.094 30 20 DBED C=CCN1CCC(NC(=O)C(=O)N2CCC3(C2)OCCO3)CC1 804891926 SJOWZVLGMQKPJU-UHFFFAOYSA-N 323.393 -0.272 30 20 DBED C#CCOCCNC(=O)N1CCC[C@H]1C[C@@]1(C)NC(=O)NC1=O 807107063 XTTZAAPHKCHKOZ-XHDPSFHLSA-N 322.365 -0.202 30 20 DBED CCOC(=O)CON=C(C(=O)NC1(CCO)CC1)c1cc[nH]n1 817131980 AGQPRGBCHYRJBA-UHFFFAOYSA-N 324.337 -0.275 30 20 DBED C#CC[C@H](CO)NC(=O)C1=NN(c2ccccc2)C(=O)[C@@H](C)N1 820065170 VBCXWQRNVGJBSC-VXGBXAGGSA-N 314.345 -0.175 30 20 DBED C=CCOCCCC(=O)NN1C(=O)[C@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C1=O 828677775 CKGDHXATRXMSDD-AAXDQBDMSA-N 306.318 -0.061 30 20 DBED C#CCC[C@H](O)CNC(=O)C(=O)Nc1ccc2c(c1)nnn2C 832409386 HMJJCAHTRMIMSW-NSHDSACASA-N 315.333 -0.203 30 20 DBED CCOC(=O)C1=C(CN(CC#N)CCOC)NC(=O)N[C@H]1C 839087259 GSUUSCSGLLVSGY-JTQLQIEISA-N 310.354 -0.023 30 20 DBED CCN(CC)CC#C[C@H](C)OC(=O)[C@H]1CCS(=O)(=O)N1 845498319 XYKYMUBQBAVKRH-NWDGAFQWSA-N 302.396 -0.045 30 20 DBED C#CC[C@@H](CO)NC(=O)CNS(=O)(=O)c1ccccc1N 854543782 YAJGQFZMDNMOTA-JTQLQIEISA-N 311.363 -0.953 30 20 DBED C#CCCN(CCOC)C(=O)c1ccnc2c(C(N)=O)cnn12 856389432 QITJZSNTRNPRGB-UHFFFAOYSA-N 315.333 -0.060 30 20 DBED CO[C@](C)(C(=O)O)C(=O)NS(=O)(=O)c1cccc(C#N)c1 863952924 IEOFSUGNGDMAQK-LBPRGKRZSA-N 312.303 -0.147 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)Cn3cnnn3)C2)cc1 939333465 DCVVAIUYKXZOKL-CQSZACIVSA-N 324.344 -0.315 30 20 DBED C[C@H]1CN(CC#N)CC[C@H]1NC(=O)CN1C(=O)NC(=O)C1(C)C 943986533 GAKLWRWTPDKZSK-WDEREUQCSA-N 321.381 -0.333 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)C(C)(C)C(N)=O)CCO2 949118339 PVLDFZVYYRFVRN-UHFFFAOYSA-N 307.394 -0.176 30 20 DBED CC#CCN1CCN(C(=O)CN2CCCCS2(=O)=O)CC1 949311808 PNLFSZKDJWEFJH-UHFFFAOYSA-N 313.423 -0.421 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]1CNC(=O)c1cncc(C(N)=O)c1 950117217 ZOPWQPKXKIUEGL-JOYOIKCWSA-N 315.333 -0.329 30 20 DBED C=CC(C)(C)C(=O)N1CCC[C@H](NC(=O)Cn2ncnn2)C1 951542945 IGJVFZOHDSWSHS-NSHDSACASA-N 306.370 -0.008 30 20 DBED COc1nccc(C(=O)N(C)C2CN(C(=O)[C@H](C)C#N)C2)n1 954893447 YDXHCQYOAGJWPA-SECBINFHSA-N 303.322 -0.072 30 20 DBED C=CCN1CC[C@H](N2CCN(C(=O)c3ccn(C)n3)CC2)C1=O 957654836 CNBQDPQULOFMNH-AWEZNQCLSA-N 317.393 -0.035 30 20 DBED C=CCCN1C[C@@H](O)[C@@H](CNC(=O)C2CS(=O)(=O)C2)C1 958096962 SONKCMWLNBYZMI-CMPLNLGQSA-N 302.396 -0.984 30 20 DBED CC#CCN1C[C@H](O)[C@H](CNC(=O)c2cnn3ncccc23)C1 958138294 FDUVCQZMMSGLMN-DOMZBBRYSA-N 313.361 -0.225 30 20 DBED C=C(C)CN1C[C@H](CNC(=O)c2cc(C(N)=O)co2)[C@@H](O)C1 958389370 FETOTUFRFIJSBM-RYUDHWBXSA-N 307.350 -0.023 30 20 DBED N#CCN1C[C@@H](O)[C@H](CNC(=O)c2cc3ncccn3n2)C1 958507802 WZNDNJJDWMTXCW-ZYHUDNBSSA-N 300.322 -0.725 30 20 DBED N#CCN1C[C@@H](O)[C@@H](CNC(=O)c2noc3c2COCC3)C1 958725027 UZWRTJMODSDJNI-GXSJLCMTSA-N 306.322 -0.707 30 20 DBED C[C@@H]1CN(C(=O)C(N)=O)C[C@@H]1CNC(=O)c1c[nH]c(C#N)c1 959575103 FWVYEPKMAJSCBR-SCZZXKLOSA-N 303.322 -0.804 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H]2CN(C(=O)c3cnccn3)C[C@@H]21 960881533 JIDDKJFAWMOMLL-KGYLQXTDSA-N 315.333 -0.312 30 20 DBED Cc1nnsc1C(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1O 961486863 LFJNDIMMLPIRIF-ZQARSLAVSA-N 309.351 -0.692 30 20 DBED C=C(C)CN1C[C@H]2C(NC(=O)[C@H]3CCN(C)S3(=O)=O)[C@@H]2C1 962004896 ACIYRSDYKSYWTD-IJLUTSLNSA-N 313.423 -0.357 30 20 DBED C#Cc1cncc(C(=O)N2CC[C@@H](NCc3nnn(C)n3)C2)c1 969888919 VTRMXBYXJNTNGE-CYBMUJFWSA-N 311.349 -0.409 30 20 DBED COc1nccc(C(=O)N2CC[C@]3(CN(CC#N)CCO3)C2)n1 972461450 SOHRFASHBLGQRT-HNNXBMFYSA-N 317.349 -0.074 30 20 DBED C=C(C)C(C)(C)C(=O)N1C[C@H]2[C@H](NC(=O)Cn3ncnn3)[C@H]2C1 976557013 QLBQKRPIATVRAN-PJXYFTJBSA-N 318.381 -0.152 30 20 DBED CC#CCN1C[C@@H]2C(CNC(=O)c3cn(C)c(=O)nc3O)[C@H]2C1 979073468 QXRGZQGZCHUXIX-VXGBXAGGSA-N 316.361 -0.583 30 20 DBED CC[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)C(N)=O 984783856 WCBWJNFNBISQFE-GXSJLCMTSA-N 303.322 -0.519 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CN(C(=O)[C@@H]2CCNC2=O)C1 992037957 LWOGJFZBJRLVAB-XQQFMLRXSA-N 321.377 -0.569 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)Cn3cnnn3)C[C@]2(C)C1 992565438 NEEDDAUFIYUJFK-COPLHBTASA-N 317.353 -0.860 30 20 DBED C#CCN[C@@H]1CCC[C@@H]2CN(C(=O)CN3CCNC(=O)C3)C[C@@H]21 992777355 MXEZHBCCLLKIKR-QLFBSQMISA-N 318.421 -0.732 30 20 DBED Cn1nncc1C(=O)NCC1CN(C(=O)c2c[nH]c(C#N)c2)C1 1001656057 HHKGDHHJIXBYKX-UHFFFAOYSA-N 313.321 -0.483 30 20 DBED N#CCN1CCC(NC(=O)c2coc(S(N)(=O)=O)c2)CC1 1003183833 AVWJNJWYJOBHQV-UHFFFAOYSA-N 312.351 -0.355 30 20 DBED C[C@@H](NC(=O)c1ccc(C#N)[nH]1)C1CN(C(=O)c2cnn[nH]2)C1 1005914397 DAPURCKHPGVCCY-MRVPVSSYSA-N 313.321 -0.105 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2C[C@@H](C)N(C(=O)C(N)=O)C2)cn1 1010279564 GTVIUYYJGFDLOZ-MNOVXSKESA-N 314.345 -0.485 30 20 DBED CS(=O)(=O)CCN1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 1010455761 BCGMTZVKQZEOQD-NSHDSACASA-N 310.379 -0.265 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CCN(CC(=O)N3CCC3)C2)c1 1010457795 NVOOBZIRQQLEOE-GFCCVEGCSA-N 301.350 -0.077 30 20 DBED C[C@]1(C(=O)N2CCN(C(=O)C#CC3CC3)CC2)CCNC1=O 1011109911 FMBPLVDVJIVDLR-INIZCTEOSA-N 303.362 -0.403 30 20 DBED N#Cc1cc(C(=O)N2C[C@@H]3C(NC(=O)c4nc[nH]n4)[C@H]3C2)c[nH]1 1013584931 YKGUUCNJYFXIHR-UWVGGRQHSA-N 311.305 -0.495 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 1015865127 QLRMKIDZFWWSPH-NSHDSACASA-N 316.365 -0.162 30 20 DBED C[C@H]1CC[C@@H](NC(=O)C(N)=O)CN1C(=O)c1cc(C#N)c[nH]1 1018373024 RJEKCFPGYXSRLW-WCBMZHEXSA-N 303.322 -0.519 30 20 DBED C=CCN[C@H]1CCN(C(=O)c2cn(CC(=O)N(C)C)nn2)C1 1019820753 XHTQWIWYRYCVRU-NSHDSACASA-N 306.370 -0.644 30 20 DBED C=C(Cl)CN[C@H]1C[C@H](NC(=O)Cn2nc(C)n(C)c2=O)C1 1020994778 OGHXNLYXHRYTFL-XYPYZODXSA-N 313.789 -0.120 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C(C)(F)F)C1 1022907357 LZMFYCHXCYKGAD-DBIOUOCHSA-N 318.320 -0.079 30 20 DBED Cc1ncc(C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2O)[nH]1 1023206538 VYNFWLMJOAEKLX-CHWSQXEVSA-N 302.334 -0.567 30 20 DBED CN1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1024499869 ZFLHZJUVTKIGOB-RBSFLKMASA-N 319.405 -0.428 30 20 DBED N#Cc1ccc(C(=O)N2C[C@H]3CC[C@H]2[C@H](NC(=O)C(N)=O)C3)[nH]1 1026002331 RJPCNLXRVALEBI-AXTRIDKLSA-N 315.333 -0.519 30 20 DBED C[C@@H](C(=O)NC1CC1)N1CC(NC(=O)c2ccc(C#N)[nH]2)C1 1030223179 RZPXMZOEJXHXEJ-VIFPVBQESA-N 301.350 -0.033 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NC1CN([C@H]2CCN(C)C2=O)C1 1030332921 UAXYFBAJERRQTE-RDBSUJKOSA-N 307.394 -0.001 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCN([C@H](C)C(=O)N(C)C)C1 1032837175 WLRQYEUZJLGXAO-KFWWJZLASA-N 320.437 -0.249 30 20 DBED CCN(C(=O)[C@@H]1CC(=O)N(CCOC)C1)[C@H]1CCN(CC#N)C1 1033855226 YXSUPNYNMVNOPX-KGLIPLIRSA-N 322.409 -0.072 30 20 DBED C#CCN[C@H]1CC[C@H](NC(=O)[C@H]2CCN(C)S2(=O)=O)CC1 1034753261 CWVSNUHXRJWMHW-JHJVBQTASA-N 313.423 -0.330 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)c2cnc3[nH]nnc3c2)C1 1035398731 OAXGKUWGQMJQPQ-NSHDSACASA-N 300.322 -0.583 30 20 DBED N#CCN1CCO[C@@H](CNC(=O)c2ccc(C(N)=O)nc2)C1 1035621634 MOGGFNUVWCNRGU-NSHDSACASA-N 303.322 -0.865 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2[C@H]3C[C@H]2N(Cc2nc(O)n[nH]2)C3)c[nH]1 1037370552 HNXXBHWPVIJMCI-MKPLZMMCSA-N 313.321 -0.287 30 20 DBED CN(C)CCCC(=O)N1CC[C@@](O)(CNC(=O)C#CC2CC2)C1 1039681342 ZGNHQTSKYZRRDV-QGZVFWFLSA-N 321.421 -0.179 30 20 DBED C=CCO[C@@H](C)C(=O)NC[C@@]1(O)CCN(C(=O)C(F)F)C1 1040160284 CNHMKSQOUQRMBU-ZANVPECISA-N 306.309 -0.078 30 20 DBED C=CCCCC(=O)NC[C@]1(O)CCN(C(=O)CNC(C)=O)C1 1040726955 KIFDXSDINIHDCA-OAHLLOKOSA-N 311.382 -0.442 30 20 DBED Cc1ncc(C(=O)N2CC[C@](O)(CNC(=O)[C@H](C)C#N)C2)[nH]1 1040760184 GCSJBXCIQSFDME-OTYXRUKQSA-N 305.338 -0.429 30 20 DBED CCn1cnc(C(=O)N2CC[C@](O)(CNC(=O)[C@@H](C)C#N)C2)c1 1040760839 QIECUZDWNGKQOL-NHYWBVRUSA-N 319.365 -0.244 30 20 DBED Cc1ncc(C(=O)N2CC[C@](O)(CNC(=O)[C@H](C)C#N)C2)n1C 1040768650 DPUCFRSFXXFQHL-BMIGLBTASA-N 319.365 -0.419 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(O)CN(C(=O)c2cnn(C)c2)C1 1042808508 AJASRCPMPCPNFB-AWEZNQCLSA-N 322.365 -0.950 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(O)CN(C(=O)c2c[nH]cc2C)C1 1042811490 JEBWJDCAHZPRJR-OAHLLOKOSA-N 321.377 -0.047 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)C2CC(C)C2)C1 1043038972 AUIUKJYCGDUYNL-CPCZMJQVSA-N 308.378 -0.240 30 20 DBED Cc1ncoc1C(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1043904839 GBUAMWPXBOYDPD-MNOVXSKESA-N 314.305 -0.376 30 20 DBED CC#CCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1045007198 PUCIRARKMZMFCB-NHAGDIPZSA-N 320.389 -0.238 30 20 DBED CNC(=O)CN1CC[C@H](N2CCN(C(=O)[C@H](C)C#N)CC2)C1 1046011664 FWIYDFUHDNUMAJ-OLZOCXBDSA-N 307.398 -0.889 30 20 DBED CC(C)C#CC(=O)N(C)[C@H]1CN(C(=O)CC(C)(C)O)C[C@@H]1O 1048810674 COXVXLCSRAKOIC-STQMWFEESA-N 310.394 -0.163 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)[C@H]1CN(C(=O)C(C)(C)F)C[C@@H]1O 1048844720 QVJNNTHXZVRPMI-SRVKXCTJSA-N 314.357 -0.197 30 20 DBED CC(=O)CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)C#N)C1 1049388265 IBBXUTVYTVPRGI-WXHSDQCUSA-N 309.366 -0.065 30 20 DBED C#CCCN1CCOC[C@@H]1CNC(=O)[C@@H]1CCC(=O)N(C)C1 1051256886 BVFGSWHJDIBFJE-KGLIPLIRSA-N 307.394 -0.305 30 20 DBED N#Cc1cnc(N2CC[C@H](NC(=O)c3cnon3)[C@@H](O)C2)cn1 1051719315 SDMBPVZFBDJYAQ-ONGXEEELSA-N 315.293 -0.899 30 20 DBED CC(=O)N1CC(C(=O)N2CC[C@H](N3CCN(CC#N)CC3)C2)C1 1052018497 KOJALPMEKVCFIG-HNNXBMFYSA-N 319.409 -0.793 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC2(C1)CN([C@@H](C)C(=O)N(C)C)C2 1053190740 CXXKJIUZBYWMCV-RYUDHWBXSA-N 308.382 -0.464 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)[C@@H]1CCC(=O)NC1)CCO2 1053323352 JTURTSJNNSHERP-CYBMUJFWSA-N 305.378 -0.551 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)[C@@H]1CCCCC(=O)N1)CCO2 1053421511 LBZUJHLTEVZMFX-AWEZNQCLSA-N 319.405 -0.018 30 20 DBED C[C@@H]1CN(C)C[C@H](C(=O)NC[C@@H]2CCC3(CN(CC#N)C3)O2)O1 1053618300 UWDUANPQUNNMJT-HZSPNIEDSA-N 322.409 -0.421 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)c3ccc4nnnn4c3)CO2)C1 1053869814 ULEJOAFCEPIZLZ-LLVKDONJSA-N 313.321 -0.779 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@@H]2CN(C(=O)CNC(C)=O)C[C@@H]2C1 1055137223 OREVVJFMEGMRLQ-BNOWGMLFSA-N 321.377 -0.922 30 20 DBED C=C1CCC(C(=O)N[C@@]2(CO)CCCN(C(=O)C(N)=O)C2)CC1 1056104197 BFIDTQKVYZFMIN-INIZCTEOSA-N 323.393 -0.312 30 20 DBED N#Cc1ccc(N2C[C@H]3[C@H](NC(=O)Cn4cnnn4)[C@H]3C2)nc1 1056129724 WBORENSBNDAPJN-YABSGUDNSA-N 310.321 -0.809 30 20 DBED N#Cc1cnc(N[C@@H]2CCN(C(=O)Cn3cnnn3)C2)c(F)c1 1056579676 NARORMNEOOLRGB-SNVBAGLBSA-N 316.300 -0.208 30 20 DBED N#Cc1nccnc1N1CCCN(C(=O)[C@@H]2COCCO2)CC1 1057091660 KLLXIMMAKAAGLV-ZDUSSCGKSA-N 317.349 -0.198 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)[C@@H]1CCOC1 1057194000 WMJLUGHGABIOBA-GFCCVEGCSA-N 300.355 -0.837 30 20 DBED CC#CCCCC(=O)NCCN(CCO)C(=O)c1cn(C)nn1 1057495877 VDGDJHAVVJWSME-UHFFFAOYSA-N 321.381 -0.441 30 20 DBED Cc1cc(C#N)nc(N[C@@H]2CCCN(C(=O)CC(N)=O)C2)n1 1057603757 UXKPQTPVNKJMOL-SNVBAGLBSA-N 302.338 -0.065 30 20 DBED N#Cc1cncc(N2CCC(NC(=O)[C@H]3CCC(=O)N3)CC2)n1 1057846903 NEGPOQXBXSLFPX-GFCCVEGCSA-N 314.349 -0.288 30 20 DBED C=CCCCC(=O)N(CCO)CCNC(=O)[C@@H]1COC(=O)N1 1058621768 QDMKYSCIVVQWFT-NSHDSACASA-N 313.354 -0.612 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H]1CCN(C(=O)[C@@H](C)OC)C1 1059260301 VVNVUGIVFCUXMX-OLZOCXBDSA-N 323.393 -0.484 30 20 DBED CNC(=O)NCCC(=O)N1CC[C@H](CCNC(=O)[C@H](C)C#N)C1 1059591887 WBXIOFYZTIFZNM-NEPJUHHUSA-N 323.397 -0.180 30 20 DBED O=C(NCC[C@@H]1CCN(C(=O)C#CC2CC2)C1)[C@H]1CCNC1=O 1059622434 IITSJTHCGVHWDF-ZIAGYGMSSA-N 317.389 -0.109 30 20 DBED Cc1nonc1C(=O)N1CCOC[C@@H]1CNC(=O)C#CC(C)C 1061568630 MWJRDRNXHKHYDO-LBPRGKRZSA-N 320.349 -0.005 30 20 DBED C=CCCC(=O)N1CCOC[C@H]1CNC(=O)C[C@H]1CCC(=O)N1 1061699721 QNYBSGZSAYCVPZ-CHWSQXEVSA-N 323.393 -0.035 30 20 DBED Cc1cc(C(=O)N2CCOC[C@H]2CNC(=O)[C@@H](C)C#N)n[nH]1 1061848285 XVEIEQDTKACFEG-GXSJLCMTSA-N 305.338 -0.165 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)c1n[nH]cc1F 1061852912 OEUQNYCNLPZIEX-BDAKNGLRSA-N 309.301 -0.334 30 20 DBED N#Cc1nccnc1N1CCC2(CCN(C(=O)C(N)=O)C2)CC1 1064587847 MEZFFGKPQWSLCV-UHFFFAOYSA-N 314.349 -0.348 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H]1CN(C(=O)c2ncc[nH]2)CCO1 1065124618 OZYOZRJUZJWGEY-RYUDHWBXSA-N 320.349 -0.595 30 20 DBED C#CCC1(C(=O)N2CCO[C@H](CNC(=O)CC(N)=O)C2)CCC1 1065232203 ODYOEHDOTJCKMZ-GFCCVEGCSA-N 321.377 -0.601 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CN(C(=O)CCn2ccnc2)CCO1 1065387324 AXSXIBPJLLWCPH-QWHCGFSZSA-N 319.365 -0.224 30 20 DBED C=C(C)CCC(=O)NC[C@@H]1CN(C(=O)[C@H]2CCNC2=O)CCO1 1065423406 ZITIOOLFXSKQCW-OLZOCXBDSA-N 323.393 -0.178 30 20 DBED C#CCOCCC(=O)N1CC2(C[C@@H](NC(=O)CCOC)CO2)C1 1068647963 HMCPOPATLUTVLY-CYBMUJFWSA-N 324.377 -0.451 30 20 DBED C=CCCC(=O)N[C@H]1COC2(C1)CN(C(=O)[C@H](C)CC(N)=O)C2 1068756583 DWVYXVIQEBBQDH-VXGBXAGGSA-N 323.393 -0.050 30 20 DBED CC#CCCCC(=O)N[C@H]1COC2(C1)CN(C(=O)C(N)=O)C2 1068969883 AQQQCSLHOAQXMD-LLVKDONJSA-N 307.350 -0.849 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCC[C@@]2(CCN(C(=O)C(N)=O)C2)C1 1069742411 CMRYXGAMTLLJES-JKSUJKDBSA-N 323.393 -0.360 30 20 DBED CC#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2[nH]nnc2C)C1 1069995279 IBFCGENQLXKEEY-NEPJUHHUSA-N 314.353 -0.617 30 20 DBED CC(C)(C)C(=O)C(=O)N1C[C@H](n2ccnn2)[C@H](NCC#N)C1 1070161192 ZICMNCYDWUUBDZ-MNOVXSKESA-N 304.354 -0.242 30 20 DBED C=CCOCC(=O)N1CCC[C@@H](NC(=O)[C@@]2(C)CCNC2=O)C1 1070552341 NYLBPIPQVGIRBB-WBMJQRKESA-N 323.393 -0.178 30 20 DBED CN1CC[C@H](C(=O)N2C[C@@H](NCC#N)[C@H](c3cn(C)cn3)C2)C1 1070563712 HRIVGDAIVPKXMB-KCQAQPDRSA-N 316.409 -0.221 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCCN(C(=O)c2cn(C)nn2)C1 1070687773 YBCHZSGUGMLZHE-GFCCVEGCSA-N 319.365 -0.424 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)c4c[nH]c(=O)cn4)C[C@@]3(C1)O2 1070844915 PELMILBJUYYRAS-XHBSWPGZSA-N 314.345 -0.682 30 20 DBED CC#CCN1CCNC(=O)CCN(C(=O)C(C)(C)C(N)=O)CC1 1070970476 HLGYVGXUSFDVJK-UHFFFAOYSA-N 322.409 -0.828 30 20 DBED C#CCCCC(=O)N[C@H]1CN(C(=O)CCNC(N)=O)C[C@@H]1C 1072066649 ONSOTSCYJPGFAT-RYUDHWBXSA-N 308.382 -0.189 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)c3cnn(C)c3N)C[C@H]21 1074223168 VCTZDQCKFIFQNN-OLZOCXBDSA-N 303.366 -0.449 30 20 DBED C#CCCN1CCO[C@H]2CCN(C(=O)c3cnnn3C)C[C@@H]21 1074229907 PEYDZCNYBLSCHA-KBPBESRZSA-N 303.366 -0.246 30 20 DBED C=CCN1CCO[C@@H]2CCN(C(=O)c3cn(C)c(=O)cn3)C[C@H]21 1074302217 NAMDMBVWGMVGFI-ZIAGYGMSSA-N 318.377 -0.118 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)CN2CCc3ccccc32)C1 1078198540 RYZCJQWWNORMMZ-UKRRQHHQSA-N 300.362 -0.266 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)c2[nH]nnc2C)C1 1080205788 RRVUVDCTIDGNMF-NSHDSACASA-N 319.365 -0.176 30 20 DBED C[C@H](C#N)C(=O)NC1(CO)CCN(C(=O)c2cncnc2)CC1 1080980508 VOHNTDVLFLJPTD-LLVKDONJSA-N 317.349 -0.280 30 20 DBED C#CCOCCC(=O)N1C[C@H](CNC(=O)c2ccoc2)[C@@H](O)C1 1081250843 HOFGYGUAUMOCCU-KBPBESRZSA-N 320.345 -0.131 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2cncnc2)C1 1081424191 BLBMAXDRFJPNGN-CHWSQXEVSA-N 320.349 -0.772 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cnnc(O)c2)C1 1081556067 JRUWAHRYDPDFRU-NEPJUHHUSA-N 320.349 -0.303 30 20 DBED C=C(Cl)C(C)(C)C(=O)N1C[C@H](O)[C@H](CNC(=O)C(N)=O)C1 1081719119 MUIZRYWMIJXWBK-BDAKNGLRSA-N 317.773 -0.814 30 20 DBED CC#CCN1C[C@@H](NC(=O)[C@@H]2CCN(C(C)=O)C2)[C@H](OC)C1 1082347789 UCLGIJFPOBLMMP-RBSFLKMASA-N 307.394 -0.307 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1OCCO[C@H]1C 1083109469 AAAKUJMLZYCEHU-XQLPTFJDSA-N 308.378 -0.275 30 20 DBED CC(=O)N1CCC[C@H](C(=O)N2CCO[C@@H]3CN(CC#N)C[C@@H]32)C1 1083135791 RPRILKFCEYKFLS-SOUVJXGZSA-N 320.393 -0.320 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cc(OC)n(C)n1 1083138805 QXUXESALOAGTRX-UONOGXRCSA-N 318.377 -0.023 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2nn3c(c2C)OCCC3)C1 1083507882 GONYZQKSTJPMOS-NEPJUHHUSA-N 304.350 -0.618 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)Cn2cc(C3CC3)nn2)C1 1083522618 NYVHILZRXUQYRK-KGLIPLIRSA-N 303.366 -0.660 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)[C@H](C2CC2)N2CCOCC2)C1 1084079445 CUTLCLMONRFWTN-ILXRZTDVSA-N 309.410 -0.556 30 20 DBED C=C(C)CN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCS(=O)(=O)N1 1085977444 VPMUJAFYQYOBAD-NEPJUHHUSA-N 301.412 -0.213 30 20 DBED CC(=O)NCC(=O)N[C@H]1CC[C@@H](C)N(c2nccnc2C#N)C1 1089117138 YZUFKLABKVTKON-PWSUYJOCSA-N 316.365 -0.042 30 20 DBED CC#CCN1CC[C@H](NC(=O)Cc2cnn(C)c2C)[C@@H](O)C1 1090315324 IFLOWPPMIXFUPG-GJZGRUSLSA-N 304.394 -0.154 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cc(C(N)=O)cs2)[C@H](O)C1 1090834779 ZZOZMZGKZKAMOW-WDEREUQCSA-N 307.375 -0.355 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(c2nc(C)cc(OC)n2)C[C@@H]1O 1091081788 LIYKNOXHIITQLF-NEPJUHHUSA-N 322.365 -0.338 30 20 DBED CNC(=O)CC(=O)NCC1CC(N=c2cc[nH]cc2C#N)C1 1092214438 SMQQIMJEQNXKNM-UHFFFAOYSA-N 301.350 -0.182 30 20 DBED C[C@@]1(CNC(=O)C(N)=O)CN(c2ccc(C#N)nc2)CCO1 1092775121 OUCKQLCZCQFAMM-CQSZACIVSA-N 303.322 -0.850 30 20 DBED CCC(=O)NCC(=O)N1CCN(c2nccnc2C#N)CC1 1093150053 LYKMJDXZKUOYHQ-UHFFFAOYSA-N 302.338 -0.477 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)c3ccn(C)n3)CC2=O)C1 1094814648 HQVPMHFBSBIAKE-LLVKDONJSA-N 301.350 -0.932 30 20 DBED CCC(=O)NCC(=O)N1CC[C@H](N(C)c2ccnc(C#N)n2)C1 1095100531 WNPLQZUMXXIJJZ-NSHDSACASA-N 316.365 -0.088 30 20 DBED N#Cc1nccc(N2CCC(NC(=O)CCNC(N)=O)CC2)n1 1095414510 CBZWTBRCIUFTCR-UHFFFAOYSA-N 317.353 -0.508 30 20 DBED CN(CCCNC(=O)[C@H]1CCC(=O)NC1)c1ccc(C#N)nn1 1095777759 SWQQXVUSIZFHFC-NSHDSACASA-N 316.365 -0.183 30 20 DBED COCC(=O)NCCN1CCN(c2ccncc2C#N)CC1 1096266389 MVUXVWFKWXPWAU-UHFFFAOYSA-N 303.366 -0.162 30 20 DBED CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCN(c2ccnc(C#N)n2)C1 1096317257 OVEYNAAVSVTFBI-GXSJLCMTSA-N 302.338 -0.432 30 20 DBED N#CCN(CCO)C1CCN(C(=O)[C@@H]2CCCN2C(N)=O)CC1 1098584211 OVAKMZIBJNYSQN-ZDUSSCGKSA-N 323.397 -0.662 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)c2cccn2C)[C@@H](O)C1 1099669638 VNMHLZJSEAWVIM-JSGCOSHPSA-N 320.393 -0.508 30 20 DBED C#CCCCC(=O)N[C@@H]1CCN(CC(=O)NCC2CC2)C[C@@H]1O 1099806806 GRGGCSYHCSFKRB-CABCVRRESA-N 321.421 -0.133 30 20 DBED C#CCN1CC[C@@H](NC(=O)CCCNC(=O)C2CC2)[C@@H](O)C1 1099864753 UOCOJFOZIGPUDW-KGLIPLIRSA-N 307.394 -0.523 30 20 DBED COC(=O)[C@@H]1C[C@H]1C(=O)NCCN(C)c1cnc(C#N)cn1 1099961244 NJSPBNKZJGXSTO-GHMZBOCLSA-N 303.322 -0.290 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)c2ccnnc2)[C@H](O)C1 1100014035 XBHKCYYWIKVWJL-UONOGXRCSA-N 306.366 -0.156 30 20 DBED CNC(=O)NCCC(=O)NCCN(C)c1cncc(C#N)n1 1100059584 XNIFBTBWYBALMC-UHFFFAOYSA-N 305.342 -0.780 30 20 DBED CC(=O)NCCCCCC(=O)N[C@H]1CCN(CC#N)C[C@H]1O 1100101685 QXHRWBCCDFEYSH-UONOGXRCSA-N 310.398 -0.242 30 20 DBED C[C@@H](C(=O)NCCN(C)c1nccnc1C#N)S(C)(=O)=O 1100394148 OLKSJAVRUQXSNG-VIFPVBQESA-N 311.367 -0.666 30 20 DBED N#CCNC(=O)CNC1CC(CNC(=O)c2ccsn2)C1 1100434425 SXPSQROXWZAQQG-UHFFFAOYSA-N 307.379 -0.119 30 20 DBED C[C@H](CC(N)=O)C(=O)NC[C@H]1CCN(c2ccnc(C#N)n2)C1 1101036769 SPWFSYOTNAWJDG-GHMZBOCLSA-N 316.365 -0.198 30 20 DBED COCC#CCNC1CC(CNC(=O)C[C@H]2CC(=O)NC2=O)C1 1101083109 NWULRQXBIZJNPN-CPCZMJQVSA-N 321.377 -0.827 30 20 DBED CN(CCNc1nccnc1C#N)C(=O)[C@H]1CCCS1(=O)=O 1101642353 ZLNUHXIFSUMSJK-LLVKDONJSA-N 323.378 -0.204 30 20 DBED CN(CCNc1ccc(C#N)nc1)C(=O)C1CC(=O)NC(=O)C1 1101683438 FTQCOBSVEFTDDG-UHFFFAOYSA-N 315.333 -0.124 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)C[C@@H]1CCC(=O)N1C 1101889166 LYTUXEGMZKGQPO-NSHDSACASA-N 316.365 -0.349 30 20 DBED CC[C@H](CNC(=O)CCCC(=O)NC)N=c1cc[nH]c(C#N)n1 1103065736 IMVSNJLGFRZDMK-LLVKDONJSA-N 318.381 -0.007 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)[C@@H]1COCCO1 1103880077 RRIVNLFGAUDUEL-MNOVXSKESA-N 305.338 -0.650 30 20 DBED C[C@@H](CNC(=O)[C@H]1CN(C)C(=O)N1)CNc1cncc(C#N)n1 1104177364 SNNJWIFZJRJBEZ-MWLCHTKSSA-N 317.353 -0.464 30 20 DBED CC(=O)N(C)CC(=O)NC[C@H](O)CNc1ccc(C#N)cn1 1105778466 RGMDVVOQGFIZAG-GFCCVEGCSA-N 305.338 -0.679 30 20 DBED Cc1nnc(CC(=O)NC[C@H](O)CNc2ccc(C#N)nc2)o1 1105816214 SSHCJQCOGYWBJP-GFCCVEGCSA-N 316.321 -0.224 30 20 DBED CCN(CC)CC(=O)NC[C@H](O)CN=c1cc[nH]cc1C#N 1105869512 VFCLATVZHFSGSF-CYBMUJFWSA-N 305.382 -0.394 30 20 DBED Cc1cc(=NCC[C@@H](C)NC(=O)CNC(N)=O)c(C#N)c[nH]1 1106196668 SSPNNYULIFTBIH-SECBINFHSA-N 304.354 -0.341 30 20 DBED N#CCSCC(=O)NCc1cn(C2CN(CCCO)C2)nn1 1107129610 HMIKKLHHXZAXIT-UHFFFAOYSA-N 324.410 -0.610 30 20 DBED C=CCN1CC(n2cc(CNC(=O)[C@@]3(C)CCNC3=O)nn2)C1 1107210865 GWAWBBNJWHPZRX-HNNXBMFYSA-N 318.381 -0.537 30 20 DBED C[C@H](C(=O)NC/C=C/CNc1cnc(C#N)cn1)S(C)(=O)=O 1107576586 OFCGZTJGHIAETA-HMDXOVGESA-N 323.378 -0.134 30 20 DBED C[C@H](CNc1nccnc1C#N)NC(=O)[C@H]1COCCN1C 1107694004 DMVFGIPBUIMHEA-ZYHUDNBSSA-N 304.354 -0.405 30 20 DBED C[C@@H](CNc1ccc(C#N)cn1)NC(=O)[C@@H]1CCS(=O)(=O)N1 1108391802 OABKNDDIVMQHHG-ONGXEEELSA-N 323.378 -0.438 30 20 DBED C[C@H](CN(C)c1cncc(C#N)n1)NC(=O)[C@@H]1CCNC(=O)C1 1108894047 ADELYDJDXSAVLE-GHMZBOCLSA-N 316.365 -0.185 30 20 DBED CN1C[C@@H](C(=O)N(C)CCCN=c2cc[nH]c(C#N)n2)CC1=O 1109651686 LWPRLAKUJCTXTK-NSHDSACASA-N 316.365 -0.491 30 20 DBED COC(=O)NCC(=O)N[C@H]1[C@H]2C[C@H]1N(c1ccnc(C#N)n1)C2 1109685023 ZVYPVDKSZCTOLR-RWEMILLDSA-N 316.321 -0.602 30 20 DBED N#Cc1cncc(NC[C@H](NC(=O)[C@@H]2COC(=O)N2)C2CC2)n1 1109832367 FJZUTEQAQFNWIL-QWRGUYRKSA-N 316.321 -0.237 30 20 DBED N#Cc1c[nH]ccc1=NC1(CNC(=O)[C@H]2CNC(=O)N2)CC1 1110324460 PIITUZXQEFYTFV-LLVKDONJSA-N 300.322 -0.883 30 20 DBED C[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1CN=c1cc[nH]c(C#N)n1 1110560661 VOMPDUCIYZBYQP-QWRGUYRKSA-N 316.365 -0.315 30 20 DBED CN(C)CCC(=O)NC[C@@H]1COCCN1c1cncc(C#N)n1 1111718597 FLSLOINZYBGONG-CYBMUJFWSA-N 318.381 -0.379 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@]12CCC[C@H]1CN(CC(=O)NC)C2 1111742463 ARJNATPKRNKNSZ-XEZPLFJOSA-N 307.394 -0.259 30 20 DBED CC(=O)NCC(=O)N1CCO[C@H](CN=c2cc[nH]cc2C#N)C1 1111929717 QEXGQQGZAHBCIL-CYBMUJFWSA-N 317.349 -0.849 30 20 DBED C[C@H](N=c1cc[nH]c(C#N)n1)[C@H](C)NC(=O)c1cnn(C)n1 1113092222 VHTYQTVRCMMOTO-IUCAKERBSA-N 300.326 -0.482 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)CCCOC)[C@H]2C1 1113938850 WIQFGCASOPJRMM-RMRHIDDWSA-N 307.394 -0.403 30 20 DBED C[C@H](CNC(=O)[C@H]1CC(=O)N(C)C1)N(C)c1ccc(C#N)nn1 1113943760 MZTZREKUYIAIPK-MNOVXSKESA-N 316.365 -0.233 30 20 DBED Cc1cncc(C(=O)NC2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]23)c1 1114093335 NJMVVLFLRBKCAG-CHWSQXEVSA-N 313.361 -0.310 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3cncc(C)c3)[C@H]2C1 1114093495 PYSNITWQALGSLR-FOLVSLTJSA-N 312.373 -0.201 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)CCc3nc[nH]n3)[C@@H]2C1 1114117028 MHSASTRADQYOMV-GHMZBOCLSA-N 318.381 -0.914 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CN(c2ccc(C#N)nn2)CC1(C)C 1114419454 KUIPPFWRHNEADQ-GFCCVEGCSA-N 316.365 -0.185 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)c3ccnnc3C)[C@@H]2C1 1114523416 ASLPPYNHGNCLDL-CHWSQXEVSA-N 313.361 -0.806 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)CCCC#CC)[C@@H]2C1 1114710869 LGPAZHNGJOCBTL-ZIAGYGMSSA-N 301.390 -0.024 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)CCCN(C)C)[C@H]2C1 1114745672 DCIGIANESZTIIL-TTZDDIAXSA-N 320.437 -0.488 30 20 DBED CCCN(C)CCC(=O)NC1[C@H]2CN(CC(=O)NCC#N)C[C@H]12 1115151738 KZSRELCHHIGYKT-STQMWFEESA-N 321.425 -0.596 30 20 DBED CC(C)NC(=O)CN(C)CC(=O)NC1(C#N)CCN(C)CC1 1116778390 GFUVHUFUXHTUFF-UHFFFAOYSA-N 309.414 -0.453 30 20 DBED COC[C@H](O)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N 1116944634 NMFYQRNCIGHEGD-SNVBAGLBSA-N 323.353 -0.428 30 20 DBED CN1CCN(c2ccccc2C(=O)NCC(=O)NCC#N)CC1 1117523685 YQHOAFSHEVSIED-UHFFFAOYSA-N 315.377 -0.192 30 20 DBED C=CCOCCNC(=O)C(=O)N(C)[C@H]1CCN(CC=C)C1=O 1118385791 KMAQMEMOWJRNOK-LBPRGKRZSA-N 309.366 -0.450 30 20 DBED N#Cc1cncc(N[C@@H](CO)CNC(=O)C[C@@H]2CCCO2)n1 1121099680 KXKTXZRWHMYHNX-NEPJUHHUSA-N 305.338 -0.194 30 20 DBED Cc1cn(C)nc1C(=O)NC[C@H](CO)N=c1cc[nH]cc1C#N 1121446563 NGNGLMMHGOLDKE-GFCCVEGCSA-N 314.349 -0.380 30 20 DBED N#Cc1nc(=N[C@@H](CO)CNC(=O)CCc2ncc[nH]2)cc[nH]1 1121496539 IEYMLSZCRDAFRL-SNVBAGLBSA-N 315.337 -0.985 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)CCc2ncc[nH]2)nn1 1121496910 JXZKHIZJGJKMGH-LLVKDONJSA-N 315.337 -0.407 30 20 DBED CN1CC[C@@H](C(=O)NC[C@H](CO)Nc2ccc(C#N)cn2)C1 1121588993 DSUPRYSLNIJAEW-CHWSQXEVSA-N 303.366 -0.206 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)CO[C@@H]2CCOC2)nn1 1122068764 GGUSRIPPXPLVRF-NWDGAFQWSA-N 321.337 -0.957 30 20 DBED C#CCN(CC)c1nnc(Cn2cnc(C#N)n2)n1CCOC 1122442086 UQVOQGJHNHCPPV-UHFFFAOYSA-N 314.353 -0.105 30 20 DBED CC(C)(C(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1)C(F)F 1122501170 REJSONAXOHRMSF-MRVPVSSYSA-N 313.308 -0.050 30 20 DBED CN1CCCC[C@@H]1C(=O)NC[C@H](CO)Nc1cnc(C#N)cn1 1122861297 PUYXIAYCOWHNAP-CHWSQXEVSA-N 318.381 -0.278 30 20 DBED CNC(=O)NCC(=O)N1CC[C@@H](N=c2cc[nH]c(C#N)n2)[C@H]1C 1123110065 NAQPXOPYAJCJSL-NXEZZACHSA-N 317.353 -0.900 30 20 DBED C#C[C@H](NC(=O)NCCN1CCC2(C1)OCCO2)[C@@H]1CCCO1 1123707820 LJSKCOQPNQBQTB-KBPBESRZSA-N 323.393 -0.085 30 20 DBED CN(C[C@H](O)CNc1nccnc1C#N)C(=O)c1nc[nH]n1 1124460204 IXNMMVHJOYXTMS-MRVPVSSYSA-N 302.298 -0.989 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)c1ccsn1 1124578223 BZNYBWQMBGPIEC-SECBINFHSA-N 318.362 -0.228 30 20 DBED COC[C@H](OC)C(=O)N(C)C[C@@H](O)CNc1ccc(C#N)nn1 1124721456 NQXZWQSYNRNKJU-RYUDHWBXSA-N 323.353 -0.759 30 20 DBED CO[C@H](C)C(=O)N(C)C[C@H](O)CN(C)c1ccnc(C#N)n1 1124957974 OZINBIPDRQHQDT-GHMZBOCLSA-N 307.354 -0.361 30 20 DBED C[C@@H](NC(=O)C1CCCC1)C(=O)NCCNCC(=O)NCC#N 1127972653 AZRMDTADZLICFC-LLVKDONJSA-N 323.397 -0.973 30 20 DBED CNC(=O)[C@@H](C)N1CCn2ncc(CNC(=O)[C@H](C)C#N)c2C1 1128265190 VTICTRNDBCCTKT-GHMZBOCLSA-N 318.381 -0.391 30 20 DBED C=CCN[C@@H]1CN(C(=O)COCCN(C)C)C[C@@H]1n1ccnn1 1130086154 NTIGQGUNXLSUBN-KGLIPLIRSA-N 322.413 -0.616 30 20 DBED C[C@H](CC(=O)NCCNCC(=O)NCC#N)c1ccncc1 1130195620 WUMHUFYTBGCQEK-GFCCVEGCSA-N 303.366 -0.079 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1ncoc1C(F)(F)F 1130575858 NBQOSLXHDSKZIW-UHFFFAOYSA-N 319.243 -0.347 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1cc2n(n1)CCCO2 1131190657 GINRXXIWXCYAAU-LLVKDONJSA-N 319.365 -0.877 30 20 DBED C#CCN1CC[C@]2(C1)CN(C(=O)CN(C)C(C)=O)C[C@H](C)O2 1131639937 XCSQMZARVRVBLR-BBRMVZONSA-N 307.394 -0.210 30 20 DBED C#CCN1CC[C@@]2(C1)CN(C(=O)COCCOC)C[C@H](C)O2 1131641439 FIAQWKGWXVTYFY-GOEBONIOSA-N 310.394 -0.026 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)CC(=O)NCC)CC[C@H]1C 1131979911 DPRCEXOJXRFFTK-OLZOCXBDSA-N 324.425 -0.216 30 20 DBED C=CCCN1C[C@@H](NC(=O)CNS(=O)(=O)NC)CC[C@H]1C 1132199679 LSXUMFUUNBZVJA-NEPJUHHUSA-N 318.443 -0.415 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)c1cnc(O)n1C 1132382011 AOCHJZANLSHXIZ-UHFFFAOYSA-N 321.381 -0.354 30 20 DBED C#CCNC[C@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)CC[C@H]1C 1132844180 VIQDNEVGLPPYKD-NEPJUHHUSA-N 318.381 -0.916 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)CC[C@H]1C 1133173911 IQQPROSRRZNLPS-CHWSQXEVSA-N 320.393 -0.364 30 20 DBED C#CCNC[C@@H]1CN(C(=O)CN2CC(=O)N(C)C2=O)CC[C@H]1C 1133249684 IZQNMPQPHAPPCP-CHWSQXEVSA-N 320.393 -0.412 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)C[C@@H](C)NCc1nonc1C 1134130695 LJKGDMZEDTZVMU-MNOVXSKESA-N 321.381 -0.110 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)C[C@@H](C)NCc1ncccn1 1134131319 UTONFCIJGOXETD-OLZOCXBDSA-N 317.393 -0.011 30 20 DBED C#CCN[C@@H](C)C[C@H](C)NC(=O)CCc1nnc(O)nc1O 1134864343 VIRAFYHCJYDDQN-UWVGGRQHSA-N 307.354 -0.279 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)C(=O)N1CCC[C@@H](C)C1 1134878058 QGXCJISMEVRFMU-OLZOCXBDSA-N 322.409 -0.911 30 20 DBED C=CCOCCCC(=O)NCCCNCC(=O)NC(=O)NC 1156160035 MCBKPESOLIVQKC-UHFFFAOYSA-N 314.386 -0.479 30 20 DBED C#CCNC(=O)CC(=O)NCCCNCc1cc(C)n(C)n1 1156857490 QOSADRZCIQNHAK-UHFFFAOYSA-N 305.382 -0.536 30 20 DBED C#CCNC(=O)CNCCCNC(=O)COc1cc(C)on1 1160359240 FYQPINGWSXUNJG-UHFFFAOYSA-N 308.338 -0.793 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)C[C@@H]1CCC(=O)N1C 1163800591 DWALQZCTNXWICB-STQMWFEESA-N 322.409 -0.769 30 20 DBED N#CCNC(=O)CNCCCNC(=O)COc1ccccc1F 1175976042 ITPFAOCJXXXLBH-UHFFFAOYSA-N 322.340 -0.060 30 20 DBED C#CCCN1CCO[C@@H]2CCN(C(=O)CC(=O)N(C)C)C[C@@H]21 1177108194 ZDGOQLIEMGOHAH-UONOGXRCSA-N 307.394 -0.210 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)CCCCC(N)=O)C[C@@H]21 1177130594 DGRMPVAETPOYHI-UONOGXRCSA-N 307.394 -0.033 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CCCCO2)[C@H]1C 1178467398 HTIWJLUGNYINLV-MELADBBJSA-N 307.394 -0.116 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](NCc2cnsn2)[C@@H]1C 1178508780 UPBZAPXJCKDXIG-JQWIXIFHSA-N 321.406 -0.243 30 20 DBED C=CCNC[C@H]1CCN(C(=O)CN2CCNC(=O)C2)C[C@@H]1C 1184924761 WBEAAWWYLFWEHE-UONOGXRCSA-N 308.426 -0.322 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 1185659094 DDPNSAWSJJHOIR-ZIAGYGMSSA-N 306.410 -0.732 30 20 DBED C#CCCN(C)[C@@H]1CCN(C(=O)[C@H](C)NS(=O)(=O)CC)C1 1190289593 HEYNNPGSBATMJR-QWHCGFSZSA-N 315.439 -0.130 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)/C(C)=C\CC)C1 1191474803 QJZAXXYXGFSKRQ-HBDHAEIGSA-N 307.394 -0.358 30 20 DBED CN(CC(=O)NCC#N)[C@@H]1CCN(C(=O)[C@]2(F)CCOC2)C1 1191948435 NDSDJQABUJCSAW-RISCZKNCSA-N 312.345 -0.713 30 20 DBED N#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)CCC(F)(F)F)C1 1192029141 OURUOBLTMDXERV-RKDXNWHRSA-N 322.287 -0.870 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(C[C@@H](C)CC(C)C)C[C@H]1O 1192397391 YAXFPTUMGWAJHC-RRFJBIMHSA-N 323.437 -0.031 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(C[C@H]2CCc3ncnn32)C[C@H]1O 1192760959 AMYLHJNTNFAYRO-MGPQQGTHSA-N 317.393 -0.414 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)[C@@]2(CC)CCNC2=O)C1 1193902543 UAUGXMRTWUYRTA-GYSYKLTISA-N 315.801 -0.184 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)Cn2ccnc2C)C1 1194026541 FQTLGERLYQDTEX-CQSZACIVSA-N 317.393 -0.526 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)[C@H](C)OCC=C)C1 1194397255 RPBNBRGKXFXDBG-KBPBESRZSA-N 307.394 -0.140 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)CCc2cncc(OC)c2)C1 1194566500 KRYJUARFPRFLQG-HUUCEWRRSA-N 303.362 -0.183 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)c2cnnc(O)c2)CC1 1201156847 DACHJDDEWWFYJW-UHFFFAOYSA-N 317.349 -0.874 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)[C@@H]2CCO[C@@H]2C)CC1 1203052153 MCAOMUKJCSMKRG-TZMCWYRMSA-N 307.394 -0.259 30 20 DBED CC(C)(C)NS(=O)(=O)CC(=O)N1CCC(NCC#N)CC1 1203755633 KNHDDJXSCPNQHL-UHFFFAOYSA-N 316.427 -0.192 30 20 DBED N#CCNC(=O)CN[C@H]1CCCN(C(=O)c2cccnc2)C1 1207071369 INRJODFTQXOOCX-ZDUSSCGKSA-N 301.350 -0.084 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2COCCO2)C1 1207394415 QQDXBBXDWXNPPD-STQMWFEESA-N 311.382 -0.715 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)C2CC(OC)C2)[C@H](C)C1 1207659374 VGXSGEFUECGXSK-BLYZHGLHSA-N 307.394 -0.403 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)c2cnn(CC)c2)C1 1207701761 QKQIMRRZXDSVGL-AWEZNQCLSA-N 317.393 -0.153 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)c2cnn[nH]2)[C@H](C)C1 1207857903 WAYHCZLBZRSYKF-JFGNBEQYSA-N 306.370 -0.455 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)c2ccnnc2)C1 1209795795 HGONYUOWUDJLPP-CYBMUJFWSA-N 303.366 -0.027 30 20 DBED CC#CCN[C@H]1CCCN(C(=O)c2nccnc2C(N)=O)C1 1210992417 AZDMJYXCRVHVKV-NSHDSACASA-N 301.350 -0.207 30 20 DBED CC(C)(C)NS(=O)(=O)CC(=O)N1CCC[C@@H](NCC#N)C1 1211132325 BLAQHMYNDJWXHO-LLVKDONJSA-N 316.427 -0.192 30 20 DBED C=CCCN1C[C@@H](NC(=O)CNC(=O)Cn2cncn2)[C@H](C)C1 1211299937 DBMFZSGJOBJKKE-CHWSQXEVSA-N 320.397 -0.593 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)C(C)(C)F 1217180040 DRVPQVJMJWIAAU-NWDGAFQWSA-N 313.373 -0.052 30 20 DBED C=CCCCCCN1C[C@H](O)[C@H](NC(=O)Cn2cnnn2)C1 1219158927 VJDXWVDSWUHVSE-OLZOCXBDSA-N 308.386 -0.419 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2nc(CC)no2)C[C@@H]1O 1219605043 HPQMJTUGSFBEBH-UTUOFQBUSA-N 322.365 -0.668 30 20 DBED CCO[C@H](C(=O)N[C@@H]1CN(CC#CCOC)C[C@@H]1O)C1CC1 1219643190 JKHALRXCRFKBIA-ILXRZTDVSA-N 310.394 -0.387 30 20 DBED CCn1nc(C)c(C(=O)N[C@@H]2CN(CC#CCOC)C[C@@H]2O)n1 1221182476 XIUNNPOINIVBPZ-OLZOCXBDSA-N 321.381 -0.969 30 20 DBED CC(C)(C)C(=O)C(=O)N1C[C@H]2CCN(CC(=O)NCC#N)C[C@H]21 1221448641 HHUOTILZHZCWSB-VXGBXAGGSA-N 320.393 -0.226 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)N1C[C@H]2CCN(CCO)C[C@H]21 1222051210 PFUUSBLVRBFDSQ-CHWSQXEVSA-N 324.425 -0.225 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCCN(C(=O)Cn2ccnc2)C1 1222098785 PUWRYIHMRWMQLY-UONOGXRCSA-N 317.393 -0.398 30 20 DBED C=CCOCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(N)=O 1225356416 VMBVDLIDGIMGKY-GHMZBOCLSA-N 312.370 -0.599 30 20 DBED CCS(=O)(=O)NCCN1CCC(NC(=O)[C@H](C)C#N)CC1 1226639953 JDVKFUKXBHPRQK-LLVKDONJSA-N 316.427 -0.334 30 20 DBED C=CCCOCC(=O)NC1CCN(CC(=O)NCC#N)CC1 1230411264 BIMKSYLMEJIVJN-UHFFFAOYSA-N 308.382 -0.201 30 20 DBED C=CCN1CCS(=O)(=O)[C@@H](CCNC(=O)c2cc[nH]n2)C1 1230422551 NEUZXPQPSKMIAZ-NSHDSACASA-N 312.395 -0.185 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)C1=COCCO1 1230653548 FIJCVKOSINAVIJ-GFCCVEGCSA-N 307.350 -0.843 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)NC[C@H]1COC(C)(C)O1 1261961432 VHBWNAGYXAGIRU-NEPJUHHUSA-N 312.366 -0.201 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)Cc2cnn(C)c2C)C1 1316982179 JOJIBWHJVQDLNS-CQSZACIVSA-N 317.393 -0.789 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCC([C@H]2CCCN2)CC1 1325355027 FXHDYLJPIYTRKF-CQSZACIVSA-N 307.394 -0.257 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N[C@@H](C)CCN(C)C)nn1 1325963986 MVPSVQIMEHWMGG-NSHDSACASA-N 308.386 -0.463 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@@H](C)CSC 1326837982 IMPOIZXCWMNGAT-VIFPVBQESA-N 308.425 -0.429 30 20 DBED CC1(C)OC[C@@H](CNC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)O1 1326897033 BHDPMPXSMRMRFJ-YGRLFVJLSA-N 311.338 -0.869 30 20 DBED N#CCCCNC(=O)C(=O)NCc1cc(=O)n2ccccc2n1 1327048610 FPNQHZXARBIYFM-UHFFFAOYSA-N 313.317 -0.269 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)NCc1cccnc1O 1329873381 VYXJRKDIKCXDHF-UHFFFAOYSA-N 305.334 -0.098 30 20 DBED C=CCNC(=O)Cn1nnnc1N1CCC(O)(CC=C)CC1 1334104055 QKOBIOJIJGUYJP-UHFFFAOYSA-N 306.370 -0.117 30 20 DBED C#CCN(C(=O)C(=O)NCC1(CS(C)(=O)=O)CC1)C(C)C 1334243461 BFYUKTOQFMKQKU-UHFFFAOYSA-N 314.407 -0.202 30 20 DBED C#Cc1ccc(NC(=O)C(=O)NCC(=O)NCCOC)cc1 1336454195 CUOZIHTYTCXDKJ-UHFFFAOYSA-N 303.318 -0.515 30 20 DBED C#CCN(C)c1nnc(CCCS(C)(=O)=O)n1CCOC 1343036555 HAHHURAUVKJTIB-UHFFFAOYSA-N 314.411 -0.029 30 20 DBED Cc1nc(C#N)cc(N2CCC[C@@H](CNS(N)(=O)=O)C2)n1 1364145488 BQIXMIUOXDUZFY-JTQLQIEISA-N 310.383 -0.334 30 20 DBED N#Cc1ccc(S(=O)(=O)N2C[C@@H](CO)[C@@H](CO)C2)cc1F 1364933916 RJALTTUNQYZKHP-PHIMTYICSA-N 314.338 -0.081 30 20 DBED CNC(=O)Cc1noc(CN2CCN(C(=O)[C@@H](C)C#N)CC2)n1 1365627195 HMYLUEZINSWBHE-JTQLQIEISA-N 320.353 -0.838 30 20 DBED CCCN(CCNC(=O)[C@@H](C)C#N)CC(=O)NC(=O)NCC 1377478231 UOBLJFBAPPOVFT-NSHDSACASA-N 311.386 -0.180 30 20 DBED CC(=O)N(C)CC(=O)NCC[C@@H](C)NC(=O)c1cc(C#N)c[nH]1 1387398713 YTKHTCQKBFFRGG-SNVBAGLBSA-N 319.365 -0.011 30 20 DBED CN(CCN1CCN(CCCO)CC1)C(=O)c1cc(C#N)c[nH]1 1400196139 HPSJWFBMBZFSRR-UHFFFAOYSA-N 319.409 -0.042 30 20 DBED CC(C)(C)C[C@@H](CO)NC(=O)Cn1cc(C#N)c(O)nc1=O 1411949045 BPFKWQZHCJOFIL-JTQLQIEISA-N 308.338 -0.266 30 20 DBED N#Cc1ccc(NCC(=O)NC[C@]2(O)CCS(=O)(=O)C2)nc1 1412139701 RTSZABZJKCSYEO-CYBMUJFWSA-N 324.362 -0.969 30 20 DBED CSc1nc(O)c(C(=O)N[C@@]2(C(N)=O)CCOC2)cc1C#N 1418218907 GTQMCLNDSYGTNB-ZDUSSCGKSA-N 322.346 -0.245 30 20 DBED COC(=O)NCC(=O)N1CC[C@@](C)(CNC(=O)[C@@H](C)C#N)C1 1432622785 LTGNGUCVVVPZTB-HZMBPMFUSA-N 310.354 -0.143 30 20 DBED CCN1C[C@@H](C(=O)NCC2(NC(=O)[C@@H](C)C#N)CC2)CC1=O 1433914284 XMIJPRTTXIKIGL-QWRGUYRKSA-N 306.366 -0.221 30 20 DBED C[C@@H](NC(=O)Cn1cc(C#N)c(O)nc1=O)[C@@H]1CCCOC1 1466325581 GSKNECWNENKYJF-NXEZZACHSA-N 306.322 -0.248 30 20 DBED CCN(CCNC(=O)c1cc(C#N)c[nH]1)C(=O)[C@H]1CCC(=O)N1 1496699703 QKCAVANUZAFPCL-LLVKDONJSA-N 317.349 -0.257 30 20 DBED C#CCCCCC(=O)N[C@H]1CCCN(CC(=O)NC(N)=O)C1 1566619923 ASVWPGBKXBFCMB-LBPRGKRZSA-N 308.382 -0.045 30 20 DBED C=C(C)C[C@@H](NC(=O)c1cn(C[C@H]2CNC(=O)O2)nn1)C(=O)O 1573324847 ZXBJUMSUOYPXHH-RKDXNWHRSA-N 323.309 -0.464 30 20 DBED Cc1nn(C)c(NC(=O)[C@H]2CCCN(CC(=O)O)C2=O)c1C#N 1574436035 ZGIFJJUHQSIIKO-SECBINFHSA-N 319.321 -0.138 30 20 DBED C#CCN(C)CCCNC(=O)C(=O)Nc1cncc(C(=O)O)c1 1588395982 SBILOEOOEFCSSF-UHFFFAOYSA-N 318.333 -0.210 30 20 DBED C[C@@H](C(=O)N(C)C1(C#N)CCC1)n1cnc(-c2nn[nH]n2)n1 1588936019 DMJDJSYKKBCWNY-QMMMGPOBSA-N 301.314 -0.076 30 20 DBED COC[C@]1(C(=O)O)CCN(C(=O)C(=O)N2CCC[C@@H](C#N)C2)C1 1593958694 IJQOQBNQEKTAST-NHYWBVRUSA-N 323.349 -0.302 30 20 DBED COCC[C@@](C)(C#N)NC(=O)[C@@H]1CCCN(CC(=O)O)C1=O 1593990185 XKBPNSYHHAVXFF-HZMBPMFUSA-N 311.338 -0.255 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N1C[C@H](O)C[C@@H](C(=O)O)C1 1596231467 OHWWCNZHVPBUIH-GMTAPVOTSA-N 319.383 -0.520 30 20 DBED COC(=O)[C@@H]1CN(C(=O)c2ccc(C#N)cn2)C[C@H]1C(=O)O 1598817780 OGBUWBHBDIAYJM-NXEZZACHSA-N 303.274 -0.101 30 20 DBED COC(=O)CN(CC(=O)O)Cn1nc(CC#N)n(C)c1=S 1598862309 BDILGLKPSKKKFO-UHFFFAOYSA-N 313.339 -0.466 30 20 DBED O=C(/C=C/c1ccccc1-c1nn[nH]n1)N[C@H]1CCN(O)C1=O 1606484920 JKJVFKVMZYXJAO-QRGHLMKCSA-N 314.305 -0.014 30 20 DBED N#Cc1ccc(C(=O)NCC2(NC(=O)[C@@H]3C[C@@H]3C(=O)O)CC2)[nH]1 1608201067 VLGBPNOHITXDQP-ZJUUUORDSA-N 316.317 -0.014 30 20 DBED Cc1nn(CCC(=O)O)c(C)c1C=NNCCS(C)(=O)=O 1610570174 CWPPVMQHIJQDCT-UHFFFAOYSA-N 316.383 -0.057 30 20 DBED CC(C)C#CC(=O)N[C@@H](CO)CNC(=O)[C@@H](C(C)C)N(C)C 1718631317 FIHOFWLPCOTHHW-UKRRQHHQSA-N 311.426 -0.175 30 20 DBED C[C@@H](C#N)C(=O)N(C)C1CCN([C@H]2CCC(=O)NC2=O)CC1 1752295861 XQCSJBNNTJFCAV-JQWIXIFHSA-N 306.366 -0.126 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(CCNC(=O)C2CC2)CC1 1752359866 DKHRNZNWCVEEHK-CYBMUJFWSA-N 306.410 -0.732 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@H]1CC(NC(=O)CCN(C)C)C2 1752697992 YGPGFOFUDKVSJY-GJZGRUSLSA-N 320.437 -0.201 30 20 DBED C=C(C)[C@@H](CC(=O)NC1CN(Cc2nnn(C)n2)C1)OCC 1753379483 SLKLEAPYJYTQGT-GFCCVEGCSA-N 308.386 -0.118 30 20 DBED CC[C@H](CNC(=O)C[C@H]1CCCC(=O)N1)NCC(=O)NCC#N 1753479032 LBJSLRJIUYLLAB-VXGBXAGGSA-N 323.397 -0.831 30 20 DBED C#CCN1CC2(CCN(C(=O)CCS(=O)(=O)NC)CC2)C1 1753674097 WJDCELJELWTNEI-UHFFFAOYSA-N 313.423 -0.517 30 20 DBED C#CCNC(=O)CNC[C@@H](NC(=O)C1=COCCO1)C1CC1 1754437849 XWZYBKDMNHPPSZ-GFCCVEGCSA-N 307.350 -0.892 30 20 DBED CC#CCN[C@H]1CCN(C(=O)Cn2ccc(O)nc2=O)[C@H](C)C1 1754598734 WHDXDMGVFIFXDZ-OLZOCXBDSA-N 318.377 -0.059 30 20 DBED CC#CCNC[C@@]1(C)CCN(C(=O)Cn2ncn(C)c2=O)C1 1754699702 LFTOKEXVPSXWKZ-OAHLLOKOSA-N 305.382 -0.567 30 20 DBED C=CCn1cc(C(=O)N[C@@]2(CO)CCCN(CCO)C2)nn1 1754858672 GHSCCLQVFOCBQV-AWEZNQCLSA-N 309.370 -0.987 30 20 DBED C=C(Cl)CNCCN(CCO)C(=O)[C@H]1CN(CC)CCO1 1754898286 XSUWQNYZNKHRHT-CYBMUJFWSA-N 319.833 -0.130 30 20 DBED N#CCNC1(CNC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)CCC1 1754980966 YCCQYFRQGFAOAB-NSHDSACASA-N 316.365 -0.085 30 20 DBED C#CCN[C@]1(CO)CCCN(C(=O)[C@@H]2CCCCN2C(N)=O)C1 1755090360 KSCPLPWTJNSOGV-XJKSGUPXSA-N 322.409 -0.504 30 20 DBED C#CCCNCC1(O)CCN(C(=O)[C@H]2CCCC(=O)N2C)CC1 1755156118 LWTWLPPHOCQKDA-CQSZACIVSA-N 321.421 -0.036 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC(CCO)(NC(=O)c2ccoc2)C1 1755330504 SWMIEHROJKHHJX-GFCCVEGCSA-N 319.361 -0.416 30 20 DBED Cc1cc(C(=O)N[C@H](C)C2CN(CC(=O)NCC#N)C2)on1 1755369885 GBSZMMNEAUPQKU-SNVBAGLBSA-N 305.338 -0.327 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(CNC(=O)[C@H](C)OCC#C)[C@H]2C1 1755422398 CLTVESMRZXJREU-NWANDNLSSA-N 317.389 -0.932 30 20 DBED C#CCNC(=O)CN[C@@H](CO)CNC(=O)c1ccccc1Cl 1755644913 HGZPLOPFPFVXQS-LLVKDONJSA-N 323.780 -0.230 30 20 DBED CC(C)C#CC(=O)N(C)C[C@@H](O)CNC[C@@H](O)Cn1cccn1 1755776550 AROYWBGISWMDNS-LSDHHAIUSA-N 322.409 -0.688 30 20 DBED C=C[C@H](CC(=O)NC[C@@H](CO)NC(=O)C(N)=O)c1ccccc1 1756526578 TZNQDZDEJYJMND-YPMHNXCESA-N 319.361 -0.575 30 20 DBED CC(=O)N[C@@H](CC(=O)N(C)Cc1ccc(C#N)cc1)C(N)=O 1771609128 DLOAKZADQZLTIV-ZDUSSCGKSA-N 302.334 -0.103 30 20 DBED NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3CC3)[C@H]2C1 1784381308 AAMHQBKZSLOSHI-IHRRRGAJSA-N 305.378 -0.662 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CCN(C)CC1 1792552474 JDQLCMRENVAVEM-MIFYACCESA-N 319.405 -0.449 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1csnn1 1793501956 YZCWTIYQALZOIB-BZBKMWRSSA-N 306.347 -0.626 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CCOCC1 1795328546 LVDBESUSBNEDIW-AGGWBTHJSA-N 306.362 -0.364 30 20 DBED CC(C)[C@@H](C#N)N1CCN(C(=O)CN(C)CC(=O)N(C)C)CC1 92617198 PXBWQYKUTXEGFK-CQSZACIVSA-N 323.441 -0.301 30 20 DBED N#Cc1ccccc1CS(=O)(=O)N[C@@H](CC(=O)O)C(=O)O 108443826 ANUIMMPSKYFVIU-JTQLQIEISA-N 312.303 -0.094 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)c2cccnc2)CC1 193921524 KVJDLNXJGYQGEH-CYBMUJFWSA-N 300.362 -0.023 30 20 DBED C=CCCOCCNC(=O)C(=O)N1C[C@@H](COC)O[C@H](C)C1 289459488 UXYBWWPAVWZSKW-OLZOCXBDSA-N 314.382 -0.042 30 20 DBED COCC[C@H](NS(=O)(=O)c1cccnc1C#N)C(=O)OC 289853520 KUZUCKGZYUUYCO-VIFPVBQESA-N 313.335 -0.190 30 20 DBED Cc1cc(C#N)ccc1S(=O)(=O)NCC(=O)N1CCNCC1 319637206 DJJRQVAJEHRMQF-UHFFFAOYSA-N 322.390 -0.423 30 20 DBED O=C1CN(/C(O)=N/C[C@H]2CCCS2(=O)=O)CCN1C1CC1 328652937 KFVPFCKRAKXPQI-LLVKDONJSA-N 315.395 -0.216 30 20 DBED CN1CCN(C)[C@H](C/N=C(/O)CCSc2nnnn2C)C1 329359475 HVWISVHQVQEDJQ-SNVBAGLBSA-N 313.431 -0.105 30 20 DBED O=S1(=O)CCN(C/C(O)=N/CCN2CCSCC2)CC1 329420168 GSDNULJZOJLYBS-UHFFFAOYSA-N 321.468 -0.278 30 20 DBED COCCN1CCN(/C(O)=N/C[C@@H]2COCCO2)C[C@H]1C 329644110 JAUBOJJYQPARGW-CHWSQXEVSA-N 301.387 -0.032 30 20 DBED CN(C)C(=O)Cn1cc(/C(O)=N/C[C@](C)(O)C(F)(F)F)nn1 330530229 SCEVLORPMGHJJT-JTQLQIEISA-N 323.275 -0.016 30 20 DBED CC(C)/N=C(/O)NC(=O)[C@H](C)N1CCO[C@H](Cn2cncn2)C1 330645497 GDIWXLBVAPMYQY-RYUDHWBXSA-N 324.385 -0.194 30 20 DBED CC/N=C(/O)NC(=O)[C@H](C)N1CCO[C@@H](CNC(C)=O)C1 330800637 DPQCMKJSVFPFMS-ONGXEEELSA-N 300.359 -0.738 30 20 DBED CNS(=O)(=O)CC/N=C(/O)NCC(C)(C)N1CCOCC1 331275065 XENHUHCWRYEWRX-UHFFFAOYSA-N 322.431 -0.850 30 20 DBED C=CCOC[C@@H](NS(=O)(=O)N(C)C[C@H](C)C#N)C(=O)OC 337159286 RPKRMQORSQHSJC-GHMZBOCLSA-N 319.383 -0.344 30 20 DBED COCCN1CC[C@H](NS(=O)(=O)N(C)C[C@H](C)C#N)C1 337200400 ZOYMMFQXTNRAEG-NEPJUHHUSA-N 304.416 -0.367 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)NCCNc2cnccn2)cc1 339156856 WDQVXORSPOFAPB-UHFFFAOYSA-N 324.344 0.306 30 20 DBED CC[C@H](C#N)NC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 343434372 UGYHSLNBIUKGQX-CHWSQXEVSA-N 308.382 -0.415 30 20 DBED C[C@H](O)CN(C)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N 361945260 CMEMRKAWJFZSOI-VIFPVBQESA-N 307.354 0.287 30 20 DBED C=CCn1cc(CNc2ccc(S(=O)(=O)NC)cn2)nn1 425262897 JHEKMKSXRNIKFM-UHFFFAOYSA-N 308.367 0.379 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H](C)[C@H]2CN)C1=O 429136320 QBLJPNPOWODSQY-GHMZBOCLSA-N 322.365 -0.451 30 20 DBED C=CCNC(=O)CS(=O)(=O)c1nnc(NCCOC)s1 429910078 RCUWOFDATLVPMU-UHFFFAOYSA-N 320.396 -0.328 30 20 DBED C#CCNC(=O)CN1CCN(Cc2nnc(OCC)s2)CC1 491165535 LTAHHDMDVSJDQB-UHFFFAOYSA-N 323.422 -0.196 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)COC2CCOCC2)CC1 491636703 XPBDAANANIVDRK-UHFFFAOYSA-N 323.393 -0.924 30 20 DBED C#CCN(C(=O)C(=O)N1CCO[C@@H](CN)C1)C1CCCCC1 491638795 VYPPVLWAQGLXCV-AWEZNQCLSA-N 307.394 -0.033 30 20 DBED CC1CC(C#N)(C(=O)N2CCC[C@H](CNS(N)(=O)=O)C2)C1 531557528 KZGHGSORMXPKAW-QWKFWESOSA-N 314.411 -0.042 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N[C@H](CCC(=O)O)C(=O)O 593254694 YFAYSWNTFQWCNX-JGVFFNPUSA-N 307.328 -0.770 30 20 DBED N#CCC1(CN2C(=O)N[C@H](CC(=O)N3CCOCC3)C2=O)CC1 596245787 FOVPGARKZFKUDM-LLVKDONJSA-N 320.349 -0.150 30 20 DBED CCN1CCN(CC(=O)N2CCC[C@H](CC#N)C2)C(=O)C1=O 597914070 PXLWXGRTWITVAJ-GFCCVEGCSA-N 306.366 -0.171 30 20 DBED N#Cc1ccc(NCC(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)nc1 599937712 IMAFPYZQASJISW-ZIAGYGMSSA-N 315.377 0.033 30 20 DBED CC1(Cn2cc(C(=O)N3CCN(CCC#N)CC3)nn2)COC1 602204634 SPDOAPSYPJPWGT-UHFFFAOYSA-N 318.381 -0.014 30 20 DBED CNC(=O)CN1CCN(C(=O)c2cc(O)cc(C#N)c2)CC1 614295005 CFNLBDUJPDKQOJ-UHFFFAOYSA-N 302.334 -0.232 30 20 DBED CCOCCS(=O)(=O)NCC(=O)N1CC[C@@](F)(C#N)C1 615825148 HQMKBTGWUWXYLC-LLVKDONJSA-N 307.347 -0.594 30 20 DBED Cc1cc(C)c2c(c1)C(=NNC(=S)NCC(N)=O)C(=O)N2 731928129 HKVWIKRYRIQCSD-UHFFFAOYSA-N 305.363 -0.091 30 20 DBED N#CCN(CC(=O)O)C(=O)Cc1ccc(S(N)(=O)=O)s1 739078352 FRFGGSZOYOMXKJ-UHFFFAOYSA-N 317.348 -0.625 30 20 DBED C[C@H](O)[C@@H](NC(=O)C(C)(C)C)C(=O)OCC(=O)NCCC#N 745703020 NOWMDQSHPQGIBW-GXSJLCMTSA-N 313.354 -0.529 30 20 DBED CNS(=O)(=O)[C@@H]1CCCN(Cn2cccc(C#N)c2=O)C1 758227151 TZNZZQIHKATACR-GFCCVEGCSA-N 310.379 -0.309 30 20 DBED CNC(=O)[C@@H]1CN(Cn2cc3c(c(C#N)c2=O)CCC3)CCO1 766633887 UAGSRXMLOOTOPV-AWEZNQCLSA-N 316.361 -0.387 30 20 DBED C[C@H](O)CNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 768724731 QBSHYKWZIHFCOC-VIFPVBQESA-N 311.363 -0.388 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1C[C@@H](CO)C[C@H](OCCOC)C1 772796499 VCFQIGUEGNKOMV-JYJNAYRXSA-N 324.421 -0.044 30 20 DBED CC(C)[C@@H](C(=O)OCC(=O)NCC#N)N1CCCS1(=O)=O 773190283 QNKKSOMLORNXNK-NSHDSACASA-N 317.367 -0.771 30 20 DBED C#CCC[C@H](O)CNC(=O)NCCCN1CCC[C@H](C(N)=O)C1 798418847 QAEWGTUBMVJDKI-KBPBESRZSA-N 324.425 -0.353 30 20 DBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCC[S@](C)=O 804996369 BDOYNDDLPLMWMQ-MKXJDEKUSA-N 302.396 -0.422 30 20 DBED C=C[C@@H](O)C(=O)NCCN(CCC(F)(F)F)C(=O)[C@H](O)C=C 834328941 XUSFMSGQAFPNAL-NXEZZACHSA-N 324.299 -0.023 30 20 DBED Cc1ccc(C(=O)N[C@@H]2CNC[C@H]2C#N)cc1S(N)(=O)=O 843461464 LNPCYWJLGVAKCJ-GHMZBOCLSA-N 308.363 -0.516 30 20 DBED C#CCOCCNS(=O)(=O)CCCN1CCN(C)CC1 867094253 JKDCJOUZVGNVKH-UHFFFAOYSA-N 303.428 -0.807 30 20 DBED CN(C)CC#CCNC(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O 913514930 BCLDWXHPPPINBM-BETUJISGSA-N 305.378 -0.157 30 20 DBED N#Cc1cn(CCNS(=O)(=O)c2ccccc2)c(=O)nc1O 917261456 TVOAWDXCYIIEPG-UHFFFAOYSA-N 320.330 -0.201 30 20 DBED C#C[C@H](NC(=O)Cn1cccc(C(=O)OC)c1=O)[C@@H]1CCCO1 935460791 XVMZLLZAYVSPAG-STQMWFEESA-N 318.329 -0.068 30 20 DBED CC(=O)N1CC(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)[C@@H](C)C#N)C1 937002385 WRKWZSVHPMVKLE-XDTLVQLUSA-N 304.350 -0.564 30 20 DBED N#Cc1ccc(C(=O)NC[C@@H]2CCCCN2C(=O)CC(N)=O)[nH]1 937299830 MOBFAWUNBKRJFK-NSHDSACASA-N 317.349 -0.127 30 20 DBED CC(=O)N1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)C#N 937495240 ZIJWMIJRDLQIRM-VZZFWQQMSA-N 318.377 -0.031 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CCN(C(=O)[C@H]3COC(=O)N3)C2)c1 939930267 RCTHLPFJBXZPPB-MWLCHTKSSA-N 317.305 -0.675 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)[C@H]3COC(=O)N3)C2)[nH]1 940238898 TXXWOIXLCGTHGM-MWLCHTKSSA-N 317.305 -0.675 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2ncc[nH]2)C1 940299150 OMYAMSDWQHFVTD-OLZOCXBDSA-N 315.377 -0.162 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](NC(=O)c2ccc(C(N)=O)[nH]2)[C@H](C)C1 940336709 FQWXYCHMCZMETG-YGOYTEALSA-N 317.349 -0.150 30 20 DBED N#Cc1cc(C(=O)N[C@H]2[C@H]3C[C@H]2N(C(=O)CC(N)=O)C3)c[nH]1 946948380 XFPOGGSFFPYHLJ-PLMOITTCSA-N 301.306 -0.909 30 20 DBED COc1c[nH]c(C(=O)NC[C@H]2CCN2C(=O)[C@H](C)C#N)cc1=O 951079570 APFYKEAKUCZQRQ-NXEZZACHSA-N 318.333 -0.126 30 20 DBED CC(=O)Nc1ccc(C(=O)NC[C@@H]2CN(CC#N)C[C@H]2O)nc1 958122013 OHIYDLGEEPAICY-BXUZGUMPSA-N 317.349 -0.414 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2c(OC)ccnc2OC)C1 958248497 JVYSAPHHVGAHAC-NEPJUHHUSA-N 319.361 -0.246 30 20 DBED CC#CCN1C[C@H](O)[C@H](CNC(=O)c2cncc(OC)n2)C1 958463091 LQFOVWMBCNERPX-YPMHNXCESA-N 304.350 -0.469 30 20 DBED C=CCN1C[C@H](O)[C@H](CNC(=O)c2cnn(CCN(C)C)c2)C1 958468462 YFQMYKIMNHOGCB-HIFRSBDPSA-N 321.425 -0.347 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H]2[C@@H]3CN(Cc4nc(O)n[nH]4)C[C@@H]32)c1 958501335 ZPMKOLYANICRPL-GDGBQDQQSA-N 313.321 -0.430 30 20 DBED C=C[C@@](C)(CC)C(=O)N1CCN(C2CN(C(=O)C(N)=O)C2)CC1 967247912 LYTHCWAVJFWNLM-INIZCTEOSA-N 322.409 -0.571 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)c2cnn(CCF)c2)C1 968547295 OLFUKIOFPDDPMV-WCQGTBRESA-N 323.328 -0.686 30 20 DBED C=CCN1CC[C@@H](N2C[C@H]3CC[C@H]2CN3C(=O)CC(N)=O)C1=O 971209213 YBPKHDMGSSECIV-YNEHKIRRSA-N 320.393 -0.676 30 20 DBED C=CCN1CCO[C@]2(CCN(C(=O)[C@H](C)S(C)(=O)=O)C2)C1 972434974 KAAIVYWMBAZGTF-GXTWGEPZSA-N 316.423 -0.091 30 20 DBED C=C(C)CN1C[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C(C)(C)C1 977620114 CRQQQJWZWFANFG-GFCCVEGCSA-N 320.397 -0.220 30 20 DBED N#CCN1C[C@H]2C[C@@H](NC(=O)CN3CCOCC3=O)CC[C@H]2C1 979796642 NUKBOTYNLGVXAH-MJBXVCDLSA-N 320.393 -0.415 30 20 DBED N#CCN[C@H]1CCC[C@@H](NC(=O)Cn2ccc(O)nc2=O)C1 981205224 DXFLTZFAWIJOHB-WDEREUQCSA-N 305.338 -0.511 30 20 DBED CC#CCN1CCCN(C(=O)CN2CCCS2(=O)=O)CC1 981286919 VHHNERNWFCKNMX-UHFFFAOYSA-N 313.423 -0.421 30 20 DBED N#Cc1cc(C(=O)NC[C@H]2CCN(C(=O)c3nc[nH]n3)C2)c[nH]1 983116476 XCGGFIZGBAQSCB-SECBINFHSA-N 313.321 -0.103 30 20 DBED C=CCn1cc(C(=O)N[C@H]2C[C@H](CN[C@@H]3CCNC3=O)C2)nn1 984902656 PFUDWQDKWFFBDO-IJLUTSLNSA-N 318.381 -0.549 30 20 DBED C=CCCN1CCCN(C(=O)CN2C(=O)CN(C)C2=O)CC1 989627640 FGBVWUJHWGXJPA-UHFFFAOYSA-N 308.382 -0.009 30 20 DBED C=C(C)CNC1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)CC1 997322171 BYDMILZYDHCTEK-LBPRGKRZSA-N 301.412 -0.165 30 20 DBED CN1C(=O)CC[C@H]1C(=O)NC1CN(C(=O)c2c[nH]c(C#N)c2)C1 997863026 LPIRXTHXWVGOQW-LBPRGKRZSA-N 315.333 -0.552 30 20 DBED CN1CC[C@H](C(=O)NCC2=CCN(CC#N)CC2)S1(=O)=O 1001254226 JZVNOLVRAXZCEK-GFCCVEGCSA-N 312.395 -0.708 30 20 DBED C=C(C)CN1CCC(CNC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 1001897441 BQVRBTUNHDYLKF-LBPRGKRZSA-N 308.382 -0.011 30 20 DBED N#CCN1CCC(NC(=O)[C@H]2CCc3nnnn3CC2)CC1 1003663518 NVOFPDRIVHPORJ-NSHDSACASA-N 303.370 -0.270 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2C(NC(=O)c3cncnc3O)[C@@H]2C1 1013295514 LYHNAVKTKWUKJL-SZEHBUNVSA-N 301.306 -0.472 30 20 DBED Cc1c(C(=O)N2CCC3(C2)CN(C(=O)[C@H](C)C#N)C3)nnn1C 1019361850 SSSQPKMHTSSRFK-SNVBAGLBSA-N 316.365 -0.042 30 20 DBED C=CCN1CC[C@H](N[C@H]2C[C@H](NC(=O)Cn3ccnc3)C2)C1=O 1021126573 RWZOOHIFFPOCIO-IHRRRGAJSA-N 317.393 -0.093 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CN(C(=O)c3cc[nH]n3)C[C@H]2O)c1 1023328148 WUEYPHQRPHQWEI-VXGBXAGGSA-N 314.305 -0.775 30 20 DBED C#CCN1CCC[C@H](CNC(=O)c2cn(CCOC)nn2)C1 1023359775 AZMLQFGLGNSFPL-CYBMUJFWSA-N 305.382 -0.001 30 20 DBED C[C@@H]1C[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 1023463052 PSZWKLGSUUTVQE-HUXSOILUSA-N 302.334 -0.156 30 20 DBED C=CCN1CCC[C@H](CNC(=O)c2cn(C)c(=O)n(C)c2=O)C1 1023624887 IILKVNZLWVILCO-GFCCVEGCSA-N 320.393 -0.288 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CN(C(=O)/C(C)=C/C)C[C@H]2O)nn1 1023769188 LFEMLHZAWNTDDD-ZTSLXXIXSA-N 319.365 -0.268 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cncnc2O)C1 1024300327 QFGXUZAHZCDOEG-GHMZBOCLSA-N 320.349 -0.304 30 20 DBED CC#CCN1C[C@H]2[C@H](NC(=O)[C@@]34C[C@H]5C[C@H](C(=O)N3)[C@H]4C5)[C@H]2C1 1025824953 SEIJQEJODHUBPI-RGLALZQTSA-N 313.401 -0.029 30 20 DBED C=CCN1[C@H]2CC[C@H]1CN(C(=O)Cn1ccc(=O)n(C)c1=O)C2 1029328851 CEXIACLCZKNYHM-STQMWFEESA-N 318.377 -0.592 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCC1CN([C@@H]2CCCNC2=O)C1 1031740474 CTWVFCPVLCMPRU-LSDHHAIUSA-N 318.421 -0.589 30 20 DBED N#Cc1ccc(C(=O)N2CCC[C@@H]2CN[C@@H]2CCNC2=O)[nH]1 1034911521 FOUKSUTVCVZRFG-VXGBXAGGSA-N 301.350 -0.031 30 20 DBED CC[C@H]1CN(C(=O)CN2C(=O)CCC2=O)CC[C@@H]1NCC#N 1037988533 XJZQAOKXYBAYEQ-RYUDHWBXSA-N 306.366 -0.124 30 20 DBED CN1CC[C@@H](N2CC[C@H]2CNC(=O)c2cc(C#N)c[nH]2)C1=O 1038142220 BYUFYMAOWVJWRN-WCQYABFASA-N 301.350 -0.079 30 20 DBED C#CCCN1CC[C@H]1CNC(=O)[C@@H]1CC(=O)N(CCOC)C1 1038318657 RUXGJMKWNVPQSG-KGLIPLIRSA-N 307.394 -0.305 30 20 DBED C=CCN1CC[C@H](N2CC[C@@H]2CNC(=O)c2cnon2)C1=O 1038850882 WMKSLZBTUOWJKW-PWSUYJOCSA-N 305.338 -0.339 30 20 DBED C=C(C)CCC(=O)NC[C@@]1(O)CCN(C(=O)CNC(C)=O)C1 1039951655 BEPFBRXDVCHJQT-HNNXBMFYSA-N 311.382 -0.442 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)c2csc(O)n2)C1 1040630215 RDUWYGSBCFWHDM-ISVAXAHUSA-N 324.362 -0.298 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)c2cc[n+]([O-])cc2)C1 1041330136 RTUUGQMOKAQXMQ-UHFFFAOYSA-N 317.345 -0.573 30 20 DBED C#CCN1CC[C@@]2(CCN(C(=O)Cn3nc(C)n(C)c3=O)C2)C1 1041811688 SHTFPKTUHZYNEU-MRXNPFEDSA-N 317.393 -0.552 30 20 DBED N#CCN1CC[C@@H]2CCN(C(=O)CCN3C(=O)CCC3=O)C[C@@H]21 1042143666 ZGNWEJVFIIBSDG-OLZOCXBDSA-N 318.377 -0.028 30 20 DBED C=CCn1cc(C(=O)N2CC[C@@H]3CCN(CCO)[C@H]3C2)nn1 1042262863 PZVDIPVMNCFRJS-JSGCOSHPSA-N 305.382 -0.007 30 20 DBED C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)C[C@H]1Nc1ccc(C#N)nn1 1043265762 RYJUYPAJPHEAMT-ADEWGFFLSA-N 314.349 -0.114 30 20 DBED C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1Nc1cncc(C#N)n1 1043522852 ZTSREVYGSACCTR-KXGXSXBTSA-N 314.349 -0.272 30 20 DBED CO[C@H]1CC[C@H](C(=O)NCC2(O)CN(C(=O)C#CC3CC3)C2)C1 1043638974 GPYIBXHFTLPSJP-KBPBESRZSA-N 320.389 -0.096 30 20 DBED C#Cc1cncc(C(=O)N(C)C2CN([C@H](C)C(=O)NC)C2)c1 1043819815 DCUDMQPLQUHGDR-LLVKDONJSA-N 300.362 -0.046 30 20 DBED C#CCN1CC(N(C)C(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1 1043854164 ZVOFGIIJCGKITH-LSDHHAIUSA-N 319.405 -0.068 30 20 DBED C=CCN1CCC2(CC1)CO[C@H](CNC(=O)[C@H]1CNC(=O)N1)C2 1045677940 GCBODOQBODDFHM-QWHCGFSZSA-N 322.409 -0.159 30 20 DBED C#CCN1CC[C@H](N2CCN(C(=O)[C@@H]3CCN(C)C3=O)CC2)C1 1046055104 NWNJAGHMXYYCLT-LSDHHAIUSA-N 318.421 -0.684 30 20 DBED C#CCN1CC[C@](C)(NC(=O)[C@@H]2CCc3nnnn3CC2)C1 1046638579 XNDLFIKNCNMUJG-DOMZBBRYSA-N 302.382 -0.161 30 20 DBED Cc1nc(C)c(C(=O)NCC2(O)CN(C(=O)C#CC(C)C)C2)[nH]1 1046763834 RPNGBEVLTWFEKG-UHFFFAOYSA-N 318.377 -0.011 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2nccn3ccnc23)C1 1047533825 LQIRVIDILFZUGB-STQMWFEESA-N 313.361 -0.130 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)OC)C1 1048432310 JEBNQWXTGXRGFD-NDBYEHHHSA-N 312.366 -0.910 30 20 DBED C#CCCCC(=O)N(C)[C@H]1CN(C(=O)c2csnn2)C[C@@H]1O 1048757891 QGYUSIMHJWJCEA-RYUDHWBXSA-N 322.390 -0.015 30 20 DBED CCO[C@@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C#CC2CC2)C1 1048821580 SKEMLQLQJZIHRX-UBHSHLNASA-N 308.378 -0.145 30 20 DBED C=CCO[C@H](C)C(=O)N(C)[C@H]1CN(C(=O)C(F)F)C[C@@H]1O 1049010811 GPRWIJDPLUQJFI-UTLUCORTSA-N 306.309 -0.127 30 20 DBED CC#CCN1CCOC[C@@H]1CNC(=O)[C@@H]1CC(=O)N(CC)C1 1050945561 RDQDWIQNICKYNC-KGLIPLIRSA-N 307.394 -0.305 30 20 DBED C#CCCN1CCOC[C@H]1CNC(=O)c1cnn(C)c1OC 1051227638 PNEIHBLCYIWHLI-GFCCVEGCSA-N 306.366 -0.117 30 20 DBED Cc1nn2cccnc2c1C(=O)NC[C@H]1COCCN1CC#N 1051249326 NZJRRCRGXNTYRH-LBPRGKRZSA-N 314.349 -0.008 30 20 DBED CC#CCN1CCOC[C@H]1CNC(=O)[C@H]1CN(CC)CCO1 1051251596 PZZYSYOZJNOIGI-HUUCEWRRSA-N 309.410 -0.453 30 20 DBED C#CCCN1CCOC[C@H]1CNC(=O)c1cc(C(N)=O)ccn1 1051274317 WFWHAGTZDQZALA-CYBMUJFWSA-N 316.361 -0.366 30 20 DBED C=C(C)CCN1CC2(C1)CN(C(=O)Cn1cnnn1)CCO2 1053148704 AFXFYJHRLHQTFT-UHFFFAOYSA-N 306.370 -0.448 30 20 DBED N#Cc1ccc(C(=O)N2CCOC3(CN(CCCO)C3)C2)[nH]1 1053216751 OMDWNYMXVLVEFY-UHFFFAOYSA-N 304.350 -0.204 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)c1cnn(CC)n1)CCO2 1053246555 INVQRUWCSPXXNB-UHFFFAOYSA-N 303.366 -0.152 30 20 DBED C#CCN1CC2(C1)CN(C(=O)Cc1cnn(C)c1C)CCO2 1053280316 AYHKGZZHAZZJRO-UHFFFAOYSA-N 302.378 -0.183 30 20 DBED C=CCCN1CC2(C[C@H](NC(=O)[C@@H]3CN(C)C(=O)N3)CO2)C1 1053892558 YCHNOLONAZSFKQ-RYUDHWBXSA-N 308.382 -0.454 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CN(C(=O)C(=O)NCC3CC3)C[C@H]2C1 1055444485 XAYBCXGPRJIRID-WCFLWFBJSA-N 318.377 -0.411 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@](CO)(NC(=O)c2cn[nH]c2)C1 1055796796 RLHABJBAWCLYQR-HZMBPMFUSA-N 305.338 -0.347 30 20 DBED C#CCOCCC(=O)N1CC[C@H]2[C@H]1CCCN2C(=O)C(N)=O 1056537428 KDKSAAVKIXXRMX-NEPJUHHUSA-N 307.350 -0.897 30 20 DBED C#CCO[C@H](C)C(=O)NCCN(CCO)C(=O)COCCC 1057140246 RTYYKIGFSKAKSL-CYBMUJFWSA-N 314.382 -0.612 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)Cc1cnn(C)c1 1057164549 JYBQPWJHAXMSER-UHFFFAOYSA-N 324.381 -0.898 30 20 DBED C#CCNC(=O)CC(=O)N(CCO)CCNC(=O)C1CC(C)C1 1057390705 MBLVJONQORIIAD-UHFFFAOYSA-N 323.393 -0.891 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)[C@H](C)OCC#C 1057445367 RPVGNRCKFSQCOV-AWEZNQCLSA-N 308.378 -0.235 30 20 DBED C=CCC(C)(C)C(=O)N(CCO)CCNC(=O)Cn1ncnn1 1057598768 HYPFYDBSHOOBHR-UHFFFAOYSA-N 324.385 -0.788 30 20 DBED C=CC(C)(C)C(=O)N(CCO)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1058302214 KLBMUOQSXZFEGT-GHMZBOCLSA-N 313.354 -0.199 30 20 DBED N#Cc1cnccc1N1CC[C@H](NC(=O)Cn2cnnc2O)C1 1058320989 PYFXNQOIEITTKL-NSHDSACASA-N 313.321 -0.355 30 20 DBED C=CCCCC(=O)N(CCO)CCNC(=O)[C@H]1COC(=O)N1 1058621767 QDMKYSCIVVQWFT-LLVKDONJSA-N 313.354 -0.612 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)c1cnc2n1CCC2 1058661033 NHIOUUBMOFSUHI-NSHDSACASA-N 319.365 -0.460 30 20 DBED N#Cc1nc(=N[C@H]2CCN(C(=O)c3c[nH]c(=O)cn3)C2)cc[nH]1 1059049109 HCIQTZCQUCAQPL-VIFPVBQESA-N 311.305 -0.820 30 20 DBED C[C@]1(C(=O)N[C@H]2C[C@@H](Nc3ccc(C#N)nn3)C2)CNC(=O)C1 1059773022 AEEFNWXWCXTAJL-JRPNMDOOSA-N 314.349 -0.066 30 20 DBED CN1C[C@@H](C(=O)N[C@H]2C[C@@H](Nc3nccnc3C#N)C2)NC1=O 1059781513 BCBXRVXQEWACSK-NGZCFLSTSA-N 315.337 -0.569 30 20 DBED Cc1cn(C)nc1C(=O)N1CCOC[C@H]1CNC(=O)[C@H](C)C#N 1061847913 NTCOKOBHISPFDX-ZYHUDNBSSA-N 319.365 -0.155 30 20 DBED C[C@@H](Nc1ccc(C#N)nn1)[C@@H]1CCCN(C(=O)C(N)=O)C1 1063904835 QQTXKTWWHCWIPT-NXEZZACHSA-N 302.338 -0.127 30 20 DBED C=CCCC(=O)N1CCO[C@@H](CNC(=O)[C@@H]2CCNC(=O)C2)C1 1064956266 UZLWRNVGEREDJO-OLZOCXBDSA-N 323.393 -0.178 30 20 DBED C#CCCCCC(=O)N1CCO[C@@H](CNC(=O)CC(N)=O)C1 1065060932 GFXSKHVBLXPKHG-LBPRGKRZSA-N 309.366 -0.601 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CN(C(=O)CCc2cnn[nH]2)CCO1 1065631834 DHGOVBAGMXUCOQ-JQWIXIFHSA-N 320.353 -0.759 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCCN(C(=O)C(F)F)CC1 1066075215 SCOWBJULMVXUBO-SNVBAGLBSA-N 315.320 -0.112 30 20 DBED C[C@@H]1CN(C(=O)Cn2cncn2)C[C@@H]1Nc1ccc(C#N)nn1 1067098623 NAUJVZAGXWEUJW-PWSUYJOCSA-N 312.337 -0.101 30 20 DBED N#Cc1cnc(N2C[C@H]3[C@H](CNC(=O)c4cnon4)[C@H]3C2)cn1 1068181176 XLGYPBNIHOSHFZ-RTCCRHLQSA-N 311.305 -0.157 30 20 DBED C=CCCC(=O)N1CCOC2(C1)CN(C(=O)C(C)(C)C(N)=O)C2 1068348045 KCJAIGWJWFARBO-UHFFFAOYSA-N 323.393 -0.096 30 20 DBED N#Cc1ccc(N2CC[C@@]3(NC(=O)C(N)=O)CCC[C@@H]23)nn1 1069282176 ISPVFMPDIODCMT-YGRLFVJLSA-N 300.322 -0.549 30 20 DBED C=CCCC(=O)NC1(CNC(=O)CNC(C)=O)CCOCC1 1070030417 FITGTJQXEZGKAX-UHFFFAOYSA-N 311.382 -0.130 30 20 DBED CNC(=O)CC(=O)N1CCC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 1070650546 GZXXJOKOBFBRFD-LLVKDONJSA-N 317.349 -0.257 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)c4n[nH]c(C)c4O)C[C@@]3(C1)O2 1070790163 UMCATFCJGNZEOF-HWWQOWPSSA-N 316.361 -0.028 30 20 DBED CC#CCN1C[C@@H](NC(=O)Cn2ncn(C)c2=O)CC[C@@H]1C 1071625334 OBZMLBZECIDSEQ-STQMWFEESA-N 305.382 -0.426 30 20 DBED Cc1nn[nH]c1C(=O)N1C[C@H](C)[C@H](NC(=O)CSCC#N)C1 1072493728 OYTPOFKOSVYROQ-WCBMZHEXSA-N 322.394 -0.053 30 20 DBED CC(C)C#CC(=O)N[C@H]1CN(C(=O)CCn2cnnn2)C[C@@H]1C 1072600166 QXAUXZRCHRJVBG-STQMWFEESA-N 318.381 -0.314 30 20 DBED C#CCCN1CCO[C@H]2CCN(C(=O)c3ncn(C)n3)C[C@@H]21 1074224958 AWPCGFGODYMLAV-STQMWFEESA-N 303.366 -0.246 30 20 DBED C#CCCCCC(=O)N1CCC(O)(CNC(=O)C(N)=O)CC1 1074555108 NJFASKTXKPHIPA-UHFFFAOYSA-N 309.366 -0.865 30 20 DBED CC#CCN1C[C@@H]2CCN(C(=O)c3cnc(O)n(C)c3=O)[C@@H]2C1 1076121272 ZJBHUJQMAPKZNP-WCQYABFASA-N 316.361 -0.345 30 20 DBED C=CCn1cccc1C(=O)N[C@@H]1CN([C@@H]2CCNC2=O)C[C@H]1O 1077138963 RJZJIWWUBYMTIM-MRVWCRGKSA-N 318.377 -0.663 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2COCCN2CC2CCC2)C1 1077447522 BJHPYYPWPLBZSS-QLFBSQMISA-N 322.409 -0.828 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CN(C[C@H]3CCOC3)C[C@H]2O)nn1 1077801599 YOECNSYEXWWASC-YRGRVCCFSA-N 321.381 -0.725 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)c2nccn3cc(C)nc23)C1 1077963952 NINQHSZUVAFEIR-VXGBXAGGSA-N 301.350 -0.001 30 20 DBED C[C@@H](CCNC(=O)[C@H](C)C#N)NC(=O)COc1cnn(C)c1 1078135965 AFLIBQYJZWKITK-MNOVXSKESA-N 307.354 -0.030 30 20 DBED Cn1cc(C(=O)N[C@@H]2C[C@@H](NCC#N)C23CCC3)n(C)c1=O 1078824184 ZUMARKSTCMQGJZ-VXGBXAGGSA-N 303.366 -0.122 30 20 DBED C#CCCN1C[C@@H](NC(=O)[C@@H](C)N2C(=O)CCC2=O)[C@H](C)C1 1079803254 NTNDVAJACCLQAJ-JHJVBQTASA-N 305.378 -0.016 30 20 DBED CCN(C(=O)CCN1CCOCC1)C1CN(C(=O)[C@@H](C)C#N)C1 1080096730 TUSKNAWRPGKZAW-ZDUSSCGKSA-N 322.409 -0.072 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2cccn2C)C[C@H]1O 1081344088 LYGXRDIELPVZCM-GXTWGEPZSA-N 321.377 -0.223 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2cnc(C)[nH]2)C[C@@H]1O 1081346405 HVFKACIVGWIOIZ-YPMHNXCESA-N 322.365 -0.530 30 20 DBED C=C(C)CCC(=O)NC[C@H]1CN(C(=O)c2nnn(C)n2)C[C@@H]1O 1081531713 WHHMGTMXJGLCJW-QWRGUYRKSA-N 322.369 -0.885 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2ccn(C3CCOCC3)n2)C1 1083460751 WZIOZZHBSOAQRY-CABCVRRESA-N 318.377 -0.357 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)c2ccc3nn[nH]c3n2)C1 1083507919 IEAVFKHRNKLCES-NEPJUHHUSA-N 300.322 -0.849 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)C[C@@H]2CCCS2(=O)=O)C1 1083671101 ALLDTURJMOXGKA-XQQFMLRXSA-N 314.407 -0.862 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2ccccc2C(=O)N(C)C)C1 1083964010 SIUTTYKLGVZXOV-CABCVRRESA-N 315.373 -0.204 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@H]2COc3ccccc3O2)C1 1084022315 BWINPQIWZSGGDA-TYNCELHUSA-N 302.330 -0.379 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)[C@@H](C2CC2)N2CCOCC2)C1 1084079446 CUTLCLMONRFWTN-QLFBSQMISA-N 309.410 -0.556 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)CN3C(=O)NC(C)(C)C3=O)[C@@H]2C1 1084812679 SVHCBTQQVIAYEP-VXGBXAGGSA-N 318.377 -0.517 30 20 DBED N#CCN[C@@H]1CCCC[C@H]1NC(=O)c1cc(=O)n2[nH]cnc2n1 1085392924 YCJKBTKATLACOC-NXEZZACHSA-N 315.337 -0.428 30 20 DBED CC#CCN1CC[C@@H]1CN(C)C(=O)C1CC2(C1)NC(=O)NC2=O 1085867999 CFXBXRHODFEZDS-BWBHSNQOSA-N 318.377 -0.469 30 20 DBED C#CCN1CCC(C(=O)NC[C@H]2C[C@H](N[C@H](C)C(N)=O)C2)CC1 1086558342 DSZYNXJDBWTGFI-UMVBOHGHSA-N 320.437 -0.310 30 20 DBED N#CCN1C[C@H]2CC[C@H]1[C@@H]1CN(C(=O)Cn3nccn3)C[C@@H]21 1087361654 GQRLTBULRGLRNZ-RQJABVFESA-N 300.366 -0.030 30 20 DBED C[C@@H]1CC[C@@H](NC(=O)CNC(N)=O)CN1c1nccnc1C#N 1089109156 FMRMAOPEGSANBH-NXEZZACHSA-N 317.353 -0.510 30 20 DBED C=CCCN1CC[C@H](NC(=O)c2nc3ncccn3n2)[C@@H](O)C1 1090657856 IYNABEMEASXAAV-RYUDHWBXSA-N 316.365 -0.135 30 20 DBED N#Cc1nccnc1NC1CC(CNC(=O)C2(C(N)=O)CC2)C1 1092259307 ZRIFYEKEXQVSSN-UHFFFAOYSA-N 314.349 -0.080 30 20 DBED N#Cc1cncc(N2CCN(C(=O)CCNC(N)=O)CC2)n1 1093155648 JSUQROGWOSCXGL-UHFFFAOYSA-N 303.326 -0.945 30 20 DBED Cc1nc(N2C[C@H]3C(NC(=O)CNC(N)=O)[C@@H]3C2)ccc1C#N 1093211942 WOCAUTOUYKOHMM-GHMZBOCLSA-N 314.349 -0.519 30 20 DBED C#CCN1CC(OC2CCN(C(=O)[C@H]3CCCC(=O)N3)CC2)C1 1093545132 UVURETFAVJUUBI-OAHLLOKOSA-N 319.405 -0.020 30 20 DBED C[C@H]1CCN(C(=O)C(=O)NCCN=c2cc[nH]cc2C#N)C1 1093870123 NDKNYVSOFUNREB-NSHDSACASA-N 301.350 -0.228 30 20 DBED CCO[C@H](C(=O)NCCN=c1cc[nH]c(C#N)n1)[C@H]1CCOC1 1094008981 GDRCHZJSSLZADV-FZMZJTMJSA-N 319.365 -0.260 30 20 DBED Cc1c(C(=O)NCc2cn(C3CN(CC#N)C3)nn2)nnn1C 1094282373 PHUBDULJVMTCSE-UHFFFAOYSA-N 315.341 -0.975 30 20 DBED C#CCCN1CC(N2C[C@H](NC(=O)[C@@H]3[C@H]4COC[C@H]43)CC2=O)C1 1094772181 PWTOOXSQRLOJPQ-UYHMYPTGSA-N 317.389 -0.697 30 20 DBED N#Cc1ccc(NCC2CCN(C(=O)CNC(N)=O)CC2)nn1 1095254216 NPGFAVHYJBZESL-UHFFFAOYSA-N 317.353 -0.333 30 20 DBED N#Cc1nc(=N[C@@H]2CCCN(C(=O)CCCC(N)=O)C2)cc[nH]1 1095300537 CGLNEKQCUGPDPY-LLVKDONJSA-N 316.365 -0.171 30 20 DBED C[C@@H](CC(=O)N[C@H]1CCN(c2nccnc2C#N)C1)NC(N)=O 1096440010 QETFESALNWRZFN-UWVGGRQHSA-N 317.353 -0.510 30 20 DBED CC[C@@H](NC(C)=O)C(=O)N[C@H]1CCN(c2nccnc2C#N)C1 1096485368 HMPRDYOJWXQVLL-NWDGAFQWSA-N 316.365 -0.042 30 20 DBED CC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H]1COCCN1C(C)=O 1096575735 WMKZYOWZHZDPBJ-FXUDXRNXSA-N 319.405 -0.022 30 20 DBED COc1cncc(C(=O)NC[C@@H](C)N=c2cc[nH]c(C#N)n2)n1 1098062419 BVKOYXSGQBYZIV-SECBINFHSA-N 313.321 -0.201 30 20 DBED C[C@@H](CC(=O)NC[C@H](C)Nc1cnc(C#N)cn1)NC(N)=O 1098076674 WAABCHDQEKQIAU-IUCAKERBSA-N 305.342 -0.288 30 20 DBED COCC#CCN(CCO)C1CCN(C(=O)c2cnn[nH]2)CC1 1098416655 BETQUMJENNEOEX-UHFFFAOYSA-N 321.381 -0.647 30 20 DBED CC(=O)NCC(=O)N1CCC[C@@H](N(C)c2ccnc(C#N)n2)C1 1098667717 LSDXZAJWFODCHC-GFCCVEGCSA-N 316.365 -0.088 30 20 DBED C#CCN1C[C@H](NC(=O)CNC(=O)NC)CC2(CCOCC2)C1 1099583153 KPJKCQTXBWJLGL-CYBMUJFWSA-N 322.409 -0.464 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)c2occc2C)[C@@H](O)C1 1099662978 HKEIMHQULDAEAR-OLZOCXBDSA-N 319.361 -0.498 30 20 DBED C#CCN1CC[C@H](NC(=O)COCc2ccnc(O)c2)[C@H](O)C1 1099893195 WGFXORYDLVLSOB-UONOGXRCSA-N 319.361 -0.512 30 20 DBED CN(CCNC(=O)[C@H]1CCC(=O)N1)c1ncc(C#N)cc1F 1099965416 QFZLKFHPLQASHM-LLVKDONJSA-N 305.313 -0.077 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2cccnn2)[C@@H](O)C1 1100041606 LQGVGCZWIUPKHA-JSGCOSHPSA-N 304.350 -0.709 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2oncc2C)[C@H](O)C1 1100061553 DIVUOOBFLGAGRU-CHWSQXEVSA-N 307.350 -0.202 30 20 DBED C=CCOCC(=O)NCC1CC(NCCNS(C)(=O)=O)C1 1100187600 DNCRCNGPOLDBDJ-UHFFFAOYSA-N 319.427 -0.777 30 20 DBED COC(=O)NCC(=O)NC[C@@H]1CCN(c2nccnc2C#N)C1 1100948178 KGMZOKGKNLRBFM-JTQLQIEISA-N 318.337 -0.353 30 20 DBED CN(CCNc1ccc(C#N)cn1)C(=O)C1CS(=O)(=O)C1 1101794614 QSTVCUGCHYEFKS-UHFFFAOYSA-N 308.363 -0.132 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)CC1CS(=O)(=O)C1 1101836271 SYASHXJBFBSGGB-UHFFFAOYSA-N 323.378 -0.925 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1101958943 YFGNCWYWFNWAHR-MGPQQGTHSA-N 320.393 -0.651 30 20 DBED CCNC(=O)CC(=O)N(C)[C@@H]1CCN(c2cnc(C#N)cn2)C1 1102696206 VUHRGDKTTLLFIJ-GFCCVEGCSA-N 316.365 -0.088 30 20 DBED CN(C(=O)C(C)(C)C(N)=O)[C@H]1CCN(c2nccnc2C#N)C1 1102740499 PYTRGQHSXGCOCV-JTQLQIEISA-N 316.365 -0.103 30 20 DBED CC[C@H](CNC(=O)[C@H]1COC(=O)N1)Nc1cnc(C#N)cn1 1103053202 PDBUTKPNPYAGBA-PSASIEDQSA-N 304.310 -0.237 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)c1ccc(O)nn1 1103850002 JIFAMSFNWXQNMY-SECBINFHSA-N 313.321 -0.256 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)[C@H]1OCCO[C@H]1C 1104255023 UIFUXHWJUNAQBB-SUNKGSAMSA-N 319.365 -0.262 30 20 DBED C#CCNCc1cn(C2CN(C(=O)[C@@H](OC)C3CC3)C2)nn1 1105224120 YDZKCAQUMZOTBR-AWEZNQCLSA-N 303.366 -0.191 30 20 DBED N#CCNCc1cn(C2CN(C(=O)[C@@H]3C[C@@]34CCOC4)C2)nn1 1105357619 HHAXRQSWXDMYSQ-DZGCQCFKSA-N 316.365 -0.299 30 20 DBED C#CCNC(=O)CN[C@@H]1C[C@@]2(C[C@H]1O)CN(C(C)=O)[C@@H]2C(C)C 1105581552 JVQYDWRUBKGZCA-MUIFIZLQSA-N 321.421 -0.278 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](O)CNC(=O)[C@H]2CCOC2)n1 1105738072 OFTXBEBYALFOIV-JQWIXIFHSA-N 305.338 -0.418 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H](O)CNC(=O)C1=COCCC1 1105742000 MPRXJBODWWJBTG-CYBMUJFWSA-N 302.334 -0.042 30 20 DBED CCc1nc[nH]c1C(=O)NC[C@H](O)CNc1cnc(C#N)cn1 1105921438 DIPABFPQJDSXNY-SNVBAGLBSA-N 315.337 -0.163 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)CCCCC(N)=O)nn1 1105958087 UZUMAGAZZAHNRA-NSHDSACASA-N 320.353 -0.717 30 20 DBED CN(C)[C@H](C(=O)NC[C@@H](O)CNc1cncc(C#N)n1)C1CC1 1105995264 QUANZLGHNYQSIO-JSGCOSHPSA-N 318.381 -0.423 30 20 DBED Cc1nc(NC[C@H](O)CNC(=O)c2[nH]nnc2C)ccc1C#N 1106035935 OJCCGDVUSNBXKR-NSHDSACASA-N 315.337 -0.109 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@H](O)CNc1ncccn1 1106155166 VZPYOQUQAFULDQ-OLZOCXBDSA-N 303.366 -0.537 30 20 DBED C=CCN1CC[C@@]2(CNC(=O)CN3CCNC(=O)C3)CCC[C@@H]12 1107499775 OJLHRAGXHCHLDF-RHSMWYFYSA-N 320.437 -0.035 30 20 DBED COc1ccc(C(=O)N[C@H](C)CN=c2cc[nH]c(C#N)n2)nn1 1107921146 ZETNSKVSDKZPCT-SECBINFHSA-N 313.321 -0.201 30 20 DBED COc1cc(C(=O)NC[C@@]2(C)CN(CC#N)CCO2)ncn1 1107947131 CSVGVCWGAUYLMN-AWEZNQCLSA-N 305.338 -0.171 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)Cn2cc(C3CC3)nn2)C1 1107993311 NCJXQGXQNDKCRI-MRXNPFEDSA-N 317.393 -0.004 30 20 DBED CCCCCCCN1CC(N2C[C@H](NC(=O)C(N)=O)CC2=O)C1 1108566817 OIWOWGJTYHCHBH-GFCCVEGCSA-N 324.425 -0.157 30 20 DBED CCc1nc(C#N)cc(NC[C@H](C)NC(=O)[C@H]2CCNC2=O)n1 1108635420 MBBCPGNCDGQFQU-ONGXEEELSA-N 316.365 -0.037 30 20 DBED C[C@@H](CNc1cncc(C#N)n1)NC(=O)[C@@H]1CCC(=O)N1C 1108642458 SZVDNLBXBGJMBN-ONGXEEELSA-N 302.338 -0.114 30 20 DBED C[C@@H](CNc1nccnc1C#N)NC(=O)CN1CCCNC1=O 1108788466 HNUIGYWXBZGSPZ-JTQLQIEISA-N 317.353 -0.320 30 20 DBED C[C@@H](CN(C)c1ccnc(C#N)n1)NC(=O)[C@]1(C)CCC(=O)N1 1109243565 ZJZWBONLSSSZRV-BONVTDFDSA-N 316.365 -0.042 30 20 DBED N#Cc1c[nH]ccc1=NC1(CNC(=O)C2CS(=O)(=O)C2)CC1 1110242646 LFGXQDSKFPXTJW-UHFFFAOYSA-N 320.374 -0.520 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C[C@H]1CCOC1 1110409117 MRJCDYAXFOOERG-TUVASFSCSA-N 319.405 -0.116 30 20 DBED CC1(CNC(=O)C(N)=O)CCN(c2cnc(C#N)cn2)CC1 1110892830 OJMVHWUMNRUKQO-UHFFFAOYSA-N 302.338 -0.444 30 20 DBED CCO[C@H](C)C(=O)NC[C@@]1(O)CCN(c2nccnc2C#N)C1 1111029204 FGLJHAOTUIWJGW-ABAIWWIYSA-N 319.365 -0.169 30 20 DBED CO[C@@H](C)C(=O)N(CCO)CCNc1nc(C)cc(C#N)n1 1111435108 XPTYZMOHAIERHZ-NSHDSACASA-N 307.354 -0.076 30 20 DBED N#Cc1ccc(NC2(CNC(=O)[C@@H]3CCNC3=O)CCC2)nn1 1111880568 GOUBZEGSWOXYIX-LLVKDONJSA-N 314.349 -0.065 30 20 DBED Cc1cc(N2C[C@H](CNC(=O)CC(N)=O)[C@@H](O)C2)c(C#N)cn1 1112725676 OTLZXXOFWRZARA-AAEUAGOBSA-N 317.349 -0.950 30 20 DBED Cc1cc(C(=O)N2CCN(CC(=O)NCC#N)CC2)c(C)nn1 1112888130 NYNMJIDHWZOCAD-UHFFFAOYSA-N 316.365 -0.509 30 20 DBED C[C@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)N(C)c1ccc(C#N)nn1 1113882453 WQOFKJPYSVPFMJ-IEBDPFPHSA-N 302.338 -0.589 30 20 DBED N#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3cncs3)[C@H]2C1 1113948163 NKQLBCGPMDDEQX-IUCAKERBSA-N 305.363 -0.557 30 20 DBED CCCCO[C@@H](C)C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1113999540 PUZKHGFTPZDGPB-RMRHIDDWSA-N 322.409 -0.122 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3cc(C)sn3)[C@H]2C1 1114189539 QKKXCKWLNXPWBQ-YABSGUDNSA-N 318.402 -0.139 30 20 DBED Cn1nnc(CN2C[C@H]3[C@H](NC(=O)C#CC(C)(C)C)[C@H]3C2)n1 1114260936 VUQKMBPBYFWYKB-YABSGUDNSA-N 302.382 -0.194 30 20 DBED C=CCN1C[C@H]2C(NC(=O)[C@@H](C)NS(=O)(=O)CC)[C@@H]2C1 1114311575 PUQWUOGKVUQPHR-GMTAPVOTSA-N 301.412 -0.453 30 20 DBED C=CCCN1C[C@H]2C(NC(=O)CN(C)S(C)(=O)=O)[C@@H]2C1 1114363317 BNWXRPMLECYGIR-GHMZBOCLSA-N 301.412 -0.500 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)[C@]3(C)CNC(=O)C3)[C@H]2C1 1114601882 GOJILBZBMDLUHU-DMEJVMROSA-N 305.378 -0.791 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)C3)[C@H]2C1 1114835846 RMJXEUVDVCGUIG-SEBNEYGDSA-N 319.405 -0.416 30 20 DBED C[C@H](CCCN=c1cc[nH]c(C#N)n1)NC(=O)CNC(N)=O 1114837149 XBCPLHZVAHSXPG-SECBINFHSA-N 305.342 -0.865 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3ccnc(C)c3)[C@H]2C1 1114991837 KEYXZZSIVUHMMB-FOLVSLTJSA-N 312.373 -0.201 30 20 DBED CCc1cc(C(=O)NC2[C@H]3CN(CC(=O)NCC#N)C[C@H]23)no1 1115133187 ZZHHLFAYFBHJHH-QWRGUYRKSA-N 317.349 -0.463 30 20 DBED N#C[C@@]1(F)CCN(C(=O)C(=O)NCc2nnc3n2CCCC3)C1 1117081128 IHSFJSPVUSCUEW-AWEZNQCLSA-N 320.328 -0.305 30 20 DBED C=C(CC)CNC(=O)C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 1118297038 JFEWEPXKMYCYQO-SNVBAGLBSA-N 303.384 -0.781 30 20 DBED CC(C)(O)CC(=O)NC1CC2(CC(NCC(=O)NCC#N)C2)C1 1121033420 CLIZODDGZDIGJL-UHFFFAOYSA-N 322.409 -0.196 30 20 DBED CCN(C)CCC(=O)NC[C@H](CO)Nc1nccnc1C#N 1122029542 UWQIAWUWCHSBDU-LLVKDONJSA-N 306.370 -0.421 30 20 DBED N#Cc1nc(=N[C@@H](CO)CNC(=O)C2(F)CCOCC2)cc[nH]1 1122748449 SJQWHHCWWCXINT-SNVBAGLBSA-N 323.328 -0.822 30 20 DBED CNC(=O)CC(=O)N[C@H]1CCCN(c2cncc(C#N)n2)[C@@H]1C 1123536328 AIGDDKLHQZAEJH-PWSUYJOCSA-N 316.365 -0.042 30 20 DBED C#CCO[C@H](C)C(=O)NCCNCC(=O)NCc1cccnc1 1127039031 AWJUMJFVTUZCQC-CYBMUJFWSA-N 318.377 -0.558 30 20 DBED C=CCNC(=O)CN1C[C@H](n2ccnn2)[C@H](NC(=O)C(C)C)C1 1128700413 BGVJTMVBXSYVGI-OLZOCXBDSA-N 320.397 -0.422 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)[C@@H]2CCN(C)C(=O)C2)C1=O 1130364601 RFBBHHHIWGXIEA-CHWSQXEVSA-N 322.409 -0.653 30 20 DBED C=CCO[C@@H](C)C(=O)N1C[C@@H](NCCO)[C@H](c2cn(C)cn2)C1 1130741899 VUNSUQFMKFPOJO-KCQAQPDRSA-N 322.409 -0.113 30 20 DBED C#CCOCCC(=O)N1CCC(=O)NCCN(CC#N)CC1 1131360056 FKWMHMIBOFOFBP-UHFFFAOYSA-N 306.366 -0.800 30 20 DBED C[C@H]1CC[C@H](NC(=O)CS(=O)(=O)N(C)C)CN1CC#N 1132453218 LPZAZZHYXFIYPZ-QWRGUYRKSA-N 302.400 -0.630 30 20 DBED COCC#CCN[C@@H](C)C[C@H](C)NC(=O)Cn1cnnc1O 1134134932 PLQJKXOXKPETOH-RYUDHWBXSA-N 309.370 -0.494 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)c1cc(OC)no1 1134139753 SOJZWRWSXWVZHK-MNOVXSKESA-N 322.365 -0.081 30 20 DBED C[C@@H](C[C@@H](C)NCC(=O)NCC#N)NC(=O)Cc1ccnn1C 1134223400 FVTHOKGCTYEFGD-NEPJUHHUSA-N 320.397 -0.525 30 20 DBED CC#CCN[C@@H](C)C[C@H](C)NC(=O)CNS(=O)(=O)CC 1134505431 QCTYVOUYUXBLQA-RYUDHWBXSA-N 303.428 -0.178 30 20 DBED C#CCCN[C@@H](C)C[C@H](C)NC(=O)CCNS(C)(=O)=O 1134508313 AIBJEJUMMNUPGL-RYUDHWBXSA-N 303.428 -0.178 30 20 DBED C=CCCn1cc(C(=O)NCCNCc2ncnn2CC)nn1 1135071419 FUKUIPBFSQXMDQ-UHFFFAOYSA-N 318.385 -0.015 30 20 DBED C=CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)Cn1cncn1 1136128058 ZSDDWHQLUNFLJH-RYUDHWBXSA-N 308.386 -0.547 30 20 DBED CC(C)c1cc(C(=O)NCCNCC(=O)NCC#N)n(C)n1 1146399289 JFOGROXNMGUIFE-UHFFFAOYSA-N 306.370 -0.497 30 20 DBED C#CCOCCC(=O)N1CC2(CCN([C@H](C)C(=O)NC)C2)C1 1147534261 BOVSBCOJWJMJCJ-CYBMUJFWSA-N 307.394 -0.305 30 20 DBED C=CCCC(=O)NC[C@H]1CN(CC(=O)NCC#N)CCCO1 1149329540 BYVQRKMUYWNPEO-ZDUSSCGKSA-N 308.382 -0.201 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)c1c(C)nn(C)c1F 1149364589 KPZFTVVHBSDCKU-JTQLQIEISA-N 311.361 -0.122 30 20 DBED C/C=C(\C)C(=O)NC[C@@H]1CN(CC(=O)NCC#N)CCCO1 1149482145 QWHOYDXMKBHYCU-ACDNVWSCSA-N 308.382 -0.201 30 20 DBED C#CCNC(=O)CN1CCCO[C@@H](CNC(=O)[C@@H]2C[C@H]2C)C1 1150071525 PGKWQUZCFFZJHQ-HZSPNIEDSA-N 307.394 -0.401 30 20 DBED C=CCO[C@H](C)C(=O)NCCNCCN(C)S(C)(=O)=O 1153135231 OFBLKDAPEMUDME-LLVKDONJSA-N 307.416 -0.825 30 20 DBED C=CCNC(=O)[C@@H](C)NCC1(CCNC(=O)CNC(C)=O)CC1 1163190775 MVXYBYUPGFOVID-GFCCVEGCSA-N 324.425 -0.311 30 20 DBED C=CCNC(=O)CNCC1(CCNC(=O)CC(=O)NCC)CC1 1164182461 KBYPLSWRIMELES-UHFFFAOYSA-N 324.425 -0.309 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)[C@H]1CCCCC(=O)N1 1166462319 LIDJTILUXSVMOO-QWHCGFSZSA-N 324.425 -0.168 30 20 DBED COCC#CCNCCCNC(=O)[C@@H]1CCCCN(C)C1=O 1171020570 XEAKRMFOYNUSCV-AWEZNQCLSA-N 309.410 -0.009 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)c2cnnn2CC)[C@H]1C 1178627771 PKHRDZQNVZFFOE-RYUDHWBXSA-N 320.397 -0.207 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](NCc2nnnn2C(C)C)C1 1182489644 MLUXIENWRKLBLL-CYBMUJFWSA-N 320.397 -0.016 30 20 DBED CN(C)C1(C(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)CCC1 1183230404 XKJRBHVUENCDSV-GFCCVEGCSA-N 307.398 -0.699 30 20 DBED CCOCC(=O)N1CC[C@@H](CNCC(=O)NCC#N)[C@@H](C)C1 1183809410 NSVWZQSLYLVRLM-STQMWFEESA-N 310.398 -0.263 30 20 DBED C=CCCN[C@@H]1CCN(C(=O)CCc2nnc(O)nc2O)C1 1183901765 BBRIFUGWZIHRSL-SNVBAGLBSA-N 307.354 -0.018 30 20 DBED C#CCNC[C@@H]1CCN(C(=O)c2nnc(O)nc2O)C[C@H]1C 1184733994 FRJFPJHNSOSOBZ-ZJUUUORDSA-N 305.338 -0.396 30 20 DBED C#CCNC[C@H]1CN(C(=O)CC(=O)NC)CC12CCOCC2 1186356654 NPSPFJLBWRSDSO-ZDUSSCGKSA-N 307.394 -0.400 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)c2snnc2C)C1 1190984875 XDYSYULYURMEHB-GHMZBOCLSA-N 312.395 -0.176 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C[C@H](C)COC)C1 1197359696 VVLXGNAIHMGDFO-YNEHKIRRSA-N 313.398 -0.878 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)CCN2CCCCC2)C1 1199071261 QGERPOWOTRTOKR-HZPDHXFCSA-N 323.437 -0.327 30 20 DBED C[C@@H](C#N)C(=O)N1CCCO[C@@H](CNCCN2CCNC2=O)C1 1200114228 BLGDYSVKLDMRDC-STQMWFEESA-N 323.397 -0.622 30 20 DBED COc1c[nH]c(C(=O)N2CCCO[C@H](CNCC#N)C2)cc1=O 1200964997 BNWYGDRDYOLXRB-LLVKDONJSA-N 320.349 -0.272 30 20 DBED C#CCNC[C@H]1CN(C(=O)[C@H](NC(C)=O)C(C)C)CCCO1 1201901703 UHBLXNWCFZFFEO-LSDHHAIUSA-N 309.410 -0.013 30 20 DBED COCCC1(C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@H]2C)CC1 1207462153 QUBSWUBDUYNQCN-CHWSQXEVSA-N 322.409 -0.121 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCCN(C(=O)c2cnsn2)C1 1207500303 YKTXBTMRWNFNDR-QWRGUYRKSA-N 321.406 -0.130 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@H](NCc2nnc(C)o2)C1 1207869733 KSWMRUPDMRCENH-LBPRGKRZSA-N 319.365 -0.402 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)c2coc(C)n2)C1 1207883947 QMTUOHYZMAOYQD-LBPRGKRZSA-N 304.350 -0.073 30 20 DBED C#CCOCCC(=O)N1CCC[C@@H](NCc2nnnn2C)C1 1208032409 QVZPFPBFFHQEOS-GFCCVEGCSA-N 306.370 -0.669 30 20 DBED COCC#CCN[C@@H]1CCCN(C(=O)[C@@]2(C)CCNC2=O)C1 1209615606 WASZFHOGKZREPK-CJNGLKHVSA-N 307.394 -0.257 30 20 DBED C#CCN1C[C@@H](NC(=O)CNC(=O)c2cscn2)[C@H](C)C1 1210090018 XAQCVTNCWJVEMN-GHMZBOCLSA-N 306.391 -0.057 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(CC(=O)N2CCC2)C[C@H]1OC 1212029751 FTNUNWVSAOMZSV-CHWSQXEVSA-N 311.382 -0.763 30 20 DBED COCC#CCN1C[C@@H](NC(=O)Cc2cc[nH]n2)[C@H](OC)C1 1212063705 DBNWLIIGRKAGBO-ZIAGYGMSSA-N 306.366 -0.583 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)c2ccnn2C)C[C@H]1C 1214280204 NNYWOYCBOVVWOZ-VXGBXAGGSA-N 305.382 -0.228 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)c2cncnc2)C[C@H]1C 1214490964 AXDKGQYROFVANR-DGCLKSJQSA-N 303.366 -0.171 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1C 1215924784 CCQMEPZZGMKCNI-NTZNESFSSA-N 320.397 -0.444 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cc[nH]c1 1217959889 SBNKHZCKMVLEBM-UONOGXRCSA-N 316.361 -0.711 30 20 DBED C=C[C@](C)(CCOC)C(=O)N[C@@H]1CN(CC(=O)NC)C[C@@H]1O 1220079806 AXGCVWXDWDLEHG-TYNCELHUSA-N 313.398 -0.878 30 20 DBED CC#CCCCC(=O)N[C@@H]1CN([C@@H]2CCN(C)C2=O)C[C@@H]1O 1220186077 XBPDKLKVNFRHKZ-MCIONIFRSA-N 307.394 -0.428 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@H]2CCN(CC(=O)NCC=C)C[C@H]21 1221539434 ZHEKELWPKUXRQS-RRFJBIMHSA-N 319.405 -0.140 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CNC(=O)OC 1225079955 SWXQPICHVUCTNU-VXGBXAGGSA-N 324.381 -0.891 30 20 DBED COCC#CCN1CCC(NC(=O)c2cc(=O)n(C)o2)CC1 1227031174 WQXRFPXRMIQQIX-UHFFFAOYSA-N 307.350 -0.178 30 20 DBED C#CCN1CCS(=O)(=O)[C@@H](CCNC(=O)[C@@H]2CC2(F)F)C1 1230461047 XAEYFMQXQVXZIW-QWRGUYRKSA-N 320.361 -0.120 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)CCCNC(=O)[C@H]1CCCOC1 1235581178 CNMSIDDXTNYNJH-KGLIPLIRSA-N 309.410 -0.011 30 20 DBED C=CCn1cc(C(=O)Nc2cc(C)n(CC(=O)NC)n2)nn1 1261496247 KIJQBZADENCVBP-UHFFFAOYSA-N 303.326 -0.033 30 20 DBED N#C[C@@]1(F)CCN(C(=O)C(=O)N2CCC[C@@H]2C2OCCO2)C1 1262537861 QISFADNNJNPFIB-YGRLFVJLSA-N 311.313 -0.186 30 20 DBED C#Cc1cncc(C(=O)N[C@H]2C[C@H](NC[C@@H](O)COC)C2)c1 1266620038 JTAQHIYHTLHKMM-RBSFLKMASA-N 303.362 -0.079 30 20 DBED C[C@@H](CNC(=O)C(=O)Nc1cnn(CC#N)c1)N1CCCC1 1319349355 AZXKCEFOEDICIF-NSHDSACASA-N 304.354 -0.054 30 20 DBED CC(C)(C)C(=O)NCCNC(=O)C(=O)Nc1cnn(CC#N)c1 1319349983 KVPZOHVCLQDUMM-UHFFFAOYSA-N 320.353 -0.376 30 20 DBED COC[C@@](C)(C#N)NC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 1319730530 BNSYVBBJJNXPLW-VZTQMQIXSA-N 321.333 -0.806 30 20 DBED CN1CCC(N2CC[C@@H](NC(=O)NCC(=O)NCC#N)C2)CC1 1322830364 QYMLZUGEESLVEP-GFCCVEGCSA-N 322.413 -0.906 30 20 DBED C=CCCCCNC(=O)C(=O)NCCS(=O)(=O)NCC 1322843257 UJIHFVFWWZTZKK-UHFFFAOYSA-N 305.400 -0.486 30 20 DBED C[C@@H](CNC(=O)C(=O)N1CC[C@](O)(CC#N)C1)N1CCCCC1 1326079685 SNMSBPUMMQSSQF-XJKSGUPXSA-N 322.409 -0.146 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)C(=O)NCC[C@H]2CCCCO2)C1 1326098171 UBURWZFBRWHSJU-IUODEOHRSA-N 309.366 -0.061 30 20 DBED N#C[C@]1(F)CCN(C(=O)C(=O)N2CCC[C@H](n3ccnn3)C2)C1 1326202553 XFWFLWHOKPUYPV-SMDDNHRTSA-N 320.328 -0.094 30 20 DBED COCCN1CC[C@H](NC(=O)C(=O)N2CCC[C@@H](CC#N)C2)C1 1328017944 DFSFHTAGHUUBNO-KBPBESRZSA-N 322.409 -0.024 30 20 DBED CN(CCN1CCOCC1)C(=O)C(=O)N1CCC[C@@](C)(C#N)C1 1328380508 CVJOOWKZWWHJFT-INIZCTEOSA-N 322.409 -0.071 30 20 DBED C[C@H](NC(=O)C(=O)N1CC[C@](O)(CC#N)C1)c1cnn(C)c1 1329330067 DVULWDRWJCTNRQ-IINYFYTJSA-N 305.338 -0.526 30 20 DBED CC#CCCNC(=O)C(=O)N[C@H]1CCN(C2CCOCC2)C1=O 1330004392 WZSHLTNFZAYRMT-ZDUSSCGKSA-N 321.377 -0.588 30 20 DBED C[C@H](NC(=O)C(=O)N1CCN(CCC#N)CC1)[C@@H]1CCCOC1 1330298288 NPDYRVZEEBOOPH-UONOGXRCSA-N 322.409 -0.024 30 20 DBED CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)[C@@H](C)CO1 1332675043 HIYNYKABGAKQST-ZOWXZIJZSA-N 309.366 -0.111 30 20 DBED C#CCOCCNC(=O)C(=O)NCC[S@@](=O)C(C)(C)C 1342430139 LFGRLXXKGJMDLS-HXUWFJFHSA-N 302.396 -0.584 30 20 DBED C=CCn1cc(C(=O)N2CCC[C@@H](C(=O)NCCN)C2)nn1 1349386265 LYLXDDMLRMAPMD-LLVKDONJSA-N 306.370 -0.609 30 20 DBED N#C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](OCCO)C2)C1 1352978893 RNUYALBENYEOOK-QWHCGFSZSA-N 309.366 -0.252 30 20 DBED N#Cc1ccc(CNC(=O)Cn2cnc(C(N)=O)n2)cc1F 1361620809 NORLLPOYDYODQQ-UHFFFAOYSA-N 302.269 -0.296 30 20 DBED N#Cc1cn(CC(=O)N2CCC[C@@H](CO)CC2)c(=O)nc1O 1362941939 FOVYKTPTKSJHBX-SNVBAGLBSA-N 306.322 -0.558 30 20 DBED N#Cc1ccc(CCC(=O)N2C[C@H](C(N)=O)[C@@H](C(N)=O)C2)cc1 1363317008 OVWVMCCALCSVNZ-STQMWFEESA-N 314.345 -0.464 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)NC[C@H]2CCCS(=O)(=O)C2)C1 1364670212 VACYHROODAWMQO-DGCLKSJQSA-N 315.395 -0.129 30 20 DBED CCn1ccc(NC(=O)NCCn2cc(C#N)c(O)nc2=O)n1 1366124810 MGRLPHVGMGKYSI-UHFFFAOYSA-N 317.309 -0.141 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@H](NCC(=O)N2CCO[C@H](C)C2)C1 1370449808 WDDATZJZKBIAGY-RNJOBUHISA-N 308.382 -0.370 30 20 DBED CCN(CCC#N)C(=O)CNC[C@@H](C)NC(=O)c1ccnn1C 1379344651 NJFMEMLPMIAYQA-GFCCVEGCSA-N 320.397 -0.110 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNCc1nnc2n1CCCC2 1401506520 SFOQZNNHALAEFJ-GHMZBOCLSA-N 306.370 -0.659 30 20 DBED CCN(CCNC(=O)[C@H]1CCCS1(=O)=O)C(=O)[C@H](C)C#N 1431640324 ZXKSSDPNJDRERU-GHMZBOCLSA-N 315.395 -0.312 30 20 DBED Cn1c(=O)[nH]c(N2CCC(C3(C)OCCO3)CC2)c(C#N)c1=O 1434442401 SNGPZOLGJBDXIK-UHFFFAOYSA-N 320.349 -0.075 30 20 DBED CCc1noc(C)c1C(=O)NC[C@@H](O)CNC(=O)[C@H](C)C#N 1452351148 LBXORTONFIQPOA-SCZZXKLOSA-N 308.338 -0.088 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1cccc2nc[nH]c12 1458024980 OHGZWGCSGMKJQE-NXEZZACHSA-N 315.333 -0.071 30 20 DBED C[C@H]1C[C@@H](NC(=O)NCCn2cc(C#N)c(O)nc2=O)CO1 1478915417 IOUYEVVNTXVMDP-WCBMZHEXSA-N 307.310 -0.703 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@@H](NC(=O)c2coc(OC)n2)C1 1490553269 QLBHKBWXJGKIKX-WDEREUQCSA-N 320.349 -0.375 30 20 DBED C[C@H](CN(C)C(=O)Cn1ncnn1)NC(=O)c1ccc(C#N)[nH]1 1510583274 XVHVKPCKYDJTHJ-SECBINFHSA-N 316.325 -0.850 30 20 DBED C=CCNC(=O)[C@H](C)OC(=O)[C@]1(OC)CCS(=O)(=O)C1 1514885777 RGVCPHFSBMOSCU-CABZTGNLSA-N 305.352 -0.576 30 20 DBED Cc1n[nH]cc1C(=O)NCCN1CCN(C(=O)[C@@H](C)C#N)CC1 1524088596 PCDQHWKOYTTWPH-NSHDSACASA-N 318.381 -0.248 30 20 DBED N#CCC1(CS(=O)(=O)NC2(C(=O)O)CC(CO)C2)CC1 1571079676 NFTRNYPEEBUUAJ-UHFFFAOYSA-N 302.352 -0.175 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCN(C)c1ccnc(-c2nn[nH]n2)n1 1573563046 ZFTABLDOQJWUPP-VIFPVBQESA-N 315.341 -0.289 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C1CC(NCCc2cnn[nH]2)C1 1575004911 POKXJPIVZPFXIH-XGNXJENSSA-N 305.382 -0.036 30 20 DBED N#Cc1cn(CC(=O)N[C@@]23CCC[C@@H]2NCC3)c(=O)nc1O 1580080788 GZMWOUKKPQCZJV-IINYFYTJSA-N 303.322 -0.779 30 20 DBED NCC12CC(CN1C(=O)CCN/C(O)=C1\N=CC=CC1=O)C2 1580247743 IRTXHNVOMKGFLS-BUHFOSPRSA-N 304.350 -0.147 30 20 DBED C#C[C@@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)o1)[C@@H]1CCCO1 1588328432 HAVGORTXDBESOD-BDAKNGLRSA-N 323.334 -0.081 30 20 DBED C#CC[C@@H](CCOC)NC(=O)CN1CCC[C@H](C(=O)O)C1=O 1588393096 BGBRBUWZOAFSCD-RYUDHWBXSA-N 310.350 -0.146 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)[C@H]2C[C@@H]2C(=O)O)CC1 1588483552 AFVYFNDUSDJNLB-RYUDHWBXSA-N 307.350 -0.963 30 20 DBED CC(C)[C@@H](C)NC(=O)Cn1c(=O)c(C#N)cn(CC(=O)O)c1=O 1588815301 KOOSASCWDBNRDU-SECBINFHSA-N 322.321 -0.873 30 20 DBED C=CCOC[C@H](NC(=O)c1cn(C(F)(F)CO)nn1)C(=O)O 1588860438 UWAXMTPSNGBQSP-QMMMGPOBSA-N 320.252 -0.795 30 20 DBED N#CC1(CNC(=O)NCCn2cnc(-c3nn[nH]n3)n2)CCC1 1592669371 WQBDSWQKELFSHD-UHFFFAOYSA-N 316.329 -0.549 30 20 DBED N#Cc1cn(CC(=O)O)c(=O)n(CC(=O)NC2CCCC2)c1=O 1594633462 SVULBDJRSBCSHV-UHFFFAOYSA-N 320.305 -0.975 30 20 DBED COC(=O)CN(CC(=O)O)C[C@H](O)COc1ccccc1C#N 1598863704 WCUFBJFWCLVEME-LBPRGKRZSA-N 322.317 -0.142 30 20 DBED N#CC1(CC(=O)N2CCC[C@H]2C(=O)NCC(=O)O)CCOCC1 1601053679 ODDKNMLLFKJWLV-NSHDSACASA-N 323.349 -0.111 30 20 DBED N#Cc1cn(CC(=O)NCC2(C(=O)O)CCCC2)c(=O)nc1O 1601128959 FQVPFNGVGKAJFS-UHFFFAOYSA-N 320.305 -0.418 30 20 DBED C=C[C@H](O)C(=O)N1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 1602802994 FNJVLXSPDFTPCL-NSHDSACASA-N 315.337 -0.543 30 20 DBED C=CCOC[C@H](NS(=O)(=O)c1ccc(C)nn1)C(=O)O 1602915687 RMBDRGSSOSIBRI-VIFPVBQESA-N 301.324 -0.281 30 20 DBED Cc1cc(C(=O)N[C@H]2CCN(O)C2=O)ncc1-c1nn[nH]n1 1605607756 PADMRTZTPBIQPP-QMMMGPOBSA-N 303.282 -0.710 30 20 DBED N#CCCN1CCN(C(=O)NCCn2cc(C(=O)O)nn2)CC1 1608183374 AHBVDCQHKTWCKZ-UHFFFAOYSA-N 321.341 -0.783 30 20 DBED N#Cc1ccc(C(=O)NCC2(NC(=O)[C@H]3C[C@@H]3C(=O)O)CC2)[nH]1 1608201064 VLGBPNOHITXDQP-UWVGGRQHSA-N 316.317 -0.014 30 20 DBED N#CCNC(=O)CN1CCC[C@@H](NC(=O)CCCCC(N)=O)C1 1714922833 OQKDOXXZJFZJFN-GFCCVEGCSA-N 323.397 -0.748 30 20 DBED N#CCNC(=O)CN1CCC[C@H](NC(=O)c2cccnn2)C1 1731354658 NGVMOZJUGBIXJA-NSHDSACASA-N 302.338 -0.689 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)[C@]2(C)CCNC(=O)C2)C1 1731433434 ZDEHUNPYUOJHCK-BLLLJJGKSA-N 322.409 -0.605 30 20 DBED C=CCCN1CCN(CCNC(=O)CN2CCCNC2=O)CC1 1752367862 WRMBYUDVFDBQOH-UHFFFAOYSA-N 323.441 -0.288 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H](C)CNC(=O)Cc1c(C)n[nH]c1C 1752917197 HIQLUBBIZSKHTM-GXFFZTMASA-N 319.409 -0.199 30 20 DBED C=CCNC(=O)[C@H](C)N1CC(NC(=O)c2nccnc2N)C1 1753372763 AHMAHICIVDFWKV-VIFPVBQESA-N 304.354 -0.837 30 20 DBED CN1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CC(=O)NCC#N 1753421864 ABQIDIYPIKHODB-MELADBBJSA-N 319.409 -0.604 30 20 DBED CN(C(=O)[C@@H]1[C@H]2COC[C@H]21)[C@@H]1CCN(CC(=O)NCC#N)C1 1753442005 TWBLJBAYBMRLOR-NMKXLXIOSA-N 306.366 -0.949 30 20 DBED C=CCNC(=O)CN1CC[C@@H](N(C)C(=O)Cc2cnc[nH]2)C1 1753445922 SLCVGEDQYOHDHU-CYBMUJFWSA-N 305.382 -0.213 30 20 DBED CC(C)[C@@H](CNC(=O)c1cncnc1O)NCC(=O)NCC#N 1753832136 HVTXOBMASLVKLC-LLVKDONJSA-N 320.353 -0.834 30 20 DBED N#CCNC(=O)CNC[C@@H](O)CNC(=O)C[C@@H]1C=CCCC1 1753914683 LAKJFTGYBQWAHM-CHWSQXEVSA-N 308.382 -0.561 30 20 DBED N#CCNC[C@@H](O)CNC(=O)c1csc(-c2ncc[nH]2)n1 1753922575 XQVGNSKTQAZALW-MRVPVSSYSA-N 306.351 -0.263 30 20 DBED C#Cc1ccc(C(=O)NC[C@H](O)CNCc2nnc(C)o2)nc1 1753934309 UXURNFPMGMWFJU-GFCCVEGCSA-N 315.333 -0.365 30 20 DBED C=CCNC(=O)CN1CC[C@H]1CNC(=O)[C@@H]1CN2CCC1CC2 1754483154 WRRYIVQKWLQLKI-LSDHHAIUSA-N 320.437 -0.179 30 20 DBED CCc1ocnc1C(=O)N(C)C1CN(CC(=O)NCC#N)C1 1754572710 NSRRWODBNJWTHJ-UHFFFAOYSA-N 305.338 -0.367 30 20 DBED N#CCN1CC[C@@](O)(CNC(=O)COCc2ccnc(O)c2)C1 1754753404 ZALAPWQUHFBCHA-OAHLLOKOSA-N 320.349 -0.620 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(CC[C@H]2CCOC2)C1 1754767018 JGTSUGHWIYSZJU-KBPBESRZSA-N 310.394 -0.386 30 20 DBED C#CCN1CC(O)(CNC(=O)Cc2c(C)cc(C)nc2O)C1 1754772492 JRHJAMMZBBUIFP-UHFFFAOYSA-N 303.362 -0.257 30 20 DBED COCC#CCN1CC(O)(CNC(=O)c2ocnc2C2CC2)C1 1754774035 AKVIOEQUJRFNFM-UHFFFAOYSA-N 319.361 -0.022 30 20 DBED C#CCNC(=O)CN1CCOC[C@H]1CNC(=O)c1nccs1 1754972135 FPIGOUMSPHVMIP-LLVKDONJSA-N 322.390 -0.677 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)Cc2cnn(C)c2)[C@@H]1C 1755652488 WLXBCPVFBORFCR-TZMCWYRMSA-N 319.409 -0.156 30 20 DBED C[C@@H]1[C@@H](NC(=O)c2ccnnc2)CCCN1CC(=O)NCC#N 1755722870 PKQLQFCBVIAFBD-YPMHNXCESA-N 316.365 -0.301 30 20 DBED C#CCNC(=O)CNC[C@@H]1CC[C@@H](NC(=O)c2cn(C)cn2)C1 1755730185 XXDXYBTUWMDNFF-CHWSQXEVSA-N 317.393 -0.342 30 20 DBED C=CCNC(=O)CNC[C@H](O)CN(C)C(=O)c1cnn(C)c1C 1755773870 WOCSJFYHJNEEAC-LBPRGKRZSA-N 323.397 -0.947 30 20 DBED C#CCN1CCC(C(=O)N(C)C[C@H](O)CNCCOC)CC1 1755795750 JMMMWZIIBOFJEA-OAHLLOKOSA-N 311.426 -0.613 30 20 DBED C#Cc1cncc(C(=O)N(C)C[C@H](O)CN(C)CC(=O)NC)c1 1755804492 DGQFZWLTWQAXPO-CQSZACIVSA-N 318.377 -0.826 30 20 DBED C=CCOCC(=O)NC1CC(CNC(=O)Cn2cncn2)C1 1755931003 HDDVHHXVJXYDRA-UHFFFAOYSA-N 307.354 -0.508 30 20 DBED CNC(=O)C1(C(=O)N[C@@H](C)[C@H](C)NC(=O)C#CC2CC2)CC1 1755970423 NZEIDJPZBDKDPR-QWRGUYRKSA-N 305.378 -0.065 30 20 DBED C=CCOCC(=O)N[C@@H]1CC[C@@H]2CN(C(=O)C(N)=O)C[C@@H]2C1 1756225553 RIBHRJUKIDZXCT-GRYCIOLGSA-N 309.366 -0.582 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H](CO)CNC(=O)c1oc(C)nc1C 1756511095 UVWBCNYWZKXVGC-ZYHUDNBSSA-N 323.349 -0.463 30 20 DBED C=C(C)CCC(=O)NC[C@@H](CO)NC(=O)c1cnn(C)c1N 1756526673 WIQDJDSDVQYZSN-JTQLQIEISA-N 309.370 -0.435 30 20 DBED C#CCOCCC(=O)NC[C@@H](O)CN(C)C(=O)C(C)(C)F 1756650981 JIQVFKTWQNNUBQ-LLVKDONJSA-N 302.346 -0.290 30 20 DBED COCC1(C(=O)N2C[C@H](O)[C@H](NC(=O)C#CC3CC3)C2)CC1 1757172030 RWODWSRFJOPWHN-OLZOCXBDSA-N 306.362 -0.486 30 20 DBED C=CCCCC(=O)N(CCO)[C@@H]1CCCN(C(=O)C(N)=O)C1 1757465670 PFDSCNBORDZSAB-GFCCVEGCSA-N 311.382 -0.360 30 20 DBED C=CCC(=O)N1CCO[C@@]2(CCN(C(=O)C3=NNC(=O)C3)C2)C1 1778943011 SXLDORDDSIVSDS-HNNXBMFYSA-N 320.349 -0.732 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@@]3(CN(C(=O)CN)CCO3)C2)c1 1780332786 DIIVJYPAQAJQCV-OAHLLOKOSA-N 317.349 -0.711 30 20 DBED N#CCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)COCCO 1800146168 FLIBHTGBPLFTGV-CLLJXQQHSA-N 309.366 -0.063 30 20 DBED C=CCC(=O)NC[C@@H]1CCN(C(=O)C(O)O)[C@H]1c1cccnc1 1813052112 DYIUZCUXYADHCT-JSGCOSHPSA-N 319.361 -0.026 30 20 DBED C=CCC(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H](N)CN)sc2C1 1817074837 NTILGVOOSJIBLJ-BDAKNGLRSA-N 323.422 -0.083 30 20 DBED CN(C)C(=O)[C@@H]1CC[C@H](C/N=C(\N)N2CCSCC2)O1 91537487 LMNNHKGSBGBIIL-MNOVXSKESA-N 300.428 -0.014 30 20 DBED CN(CCS(C)(=O)=O)S(=O)(=O)c1cccnc1C#N 234300601 RXZNIIAUFDROCR-UHFFFAOYSA-N 303.365 -0.382 30 20 DBED N#CCC(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 274671937 HNGPBNGETUDHAN-UHFFFAOYSA-N 316.365 -0.125 30 20 DBED C#C[C@H](C)NC(=O)C(=O)N1C[C@H](C(=O)NC)Oc2ccccc21 275932250 IMNVVICIPIVLNT-GXFFZTMASA-N 315.329 -0.336 30 20 DBED COCCN(CCC#N)S(=O)(=O)NCc1cc(C)nn1C 284751366 ULXLZYBIDXZXMT-UHFFFAOYSA-N 315.399 -0.075 30 20 DBED COC(=O)c1cccc(OC/C(N)=N/OCc2nnn(C)n2)c1 289395514 NDUNOHCZDODIEY-UHFFFAOYSA-N 320.309 -0.136 30 20 DBED C=C[C@@H](CO)NC(=O)Nc1ccc(S(=O)(=O)NC)cn1 290430094 QOTQLZSSUPEKPR-QMMMGPOBSA-N 300.340 -0.342 30 20 DBED CC(C)[C@](C)(C#N)NC(=O)CN1CCC[C@@]2(C1)NC(=O)NC2=O 331541626 FCCSRRGRWQALPJ-GJZGRUSLSA-N 321.381 -0.285 30 20 DBED Cc1nnc([C@H](C)NS(=O)(=O)N2CCO[C@@H](C#N)C2)s1 336946038 NZCWBBMQLDSCQX-CBAPKCEASA-N 317.396 -0.034 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CCS(=O)(=O)C[C@@H](C)C1 337176563 JLGIVTHYBHQGDI-NSHDSACASA-N 323.440 -0.167 30 20 DBED C=CCOC[C@@H](NC(=O)[C@@H](OC)c1cnn(C)c1)C(=O)OC 337185404 SQSCSTPJOOSUFW-NEPJUHHUSA-N 311.338 -0.032 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)N2CCO[C@H](C(N)=O)C2)cc1 339152722 NCRDQHLTVPRUAQ-LBPRGKRZSA-N 316.317 -0.999 30 20 DBED C[C@H](C(=O)Nc1ccccc1C#N)N1CCN(CC(N)=O)CC1 341214116 BFVRDSSYKSRJEJ-GFCCVEGCSA-N 315.377 -0.012 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)Nc1cc(C)n(CC(=O)NC)n1 342444498 KUSZGTHZCIIXJZ-SNVBAGLBSA-N 322.369 -0.250 30 20 DBED COC(=O)CN(CC#N)C(=O)CNC(=O)NCc1ccco1 348800270 HRUXOTCNRFCGAN-UHFFFAOYSA-N 308.294 -0.396 30 20 DBED CCOC(=O)[C@H](CO)NS(=O)(=O)Cc1cccc(C#N)c1 351977027 VFLTYXPXMLMHHW-LBPRGKRZSA-N 312.347 -0.098 30 20 DBED C=C[C@H](CO)NC(=O)[C@H](C)NS(=O)(=O)c1c(C)noc1C 356857601 SEGSPILITNZIPG-WCBMZHEXSA-N 317.367 -0.379 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N1CCN([C@H]2CCOC2)CC1 369223601 GQBQGSMZYAZCHV-OLZOCXBDSA-N 316.427 -0.128 30 20 DBED CN(CCC#N)S(=O)(=O)N1CCN(C[C@@H]2CCOC2)CC1 408382813 SVOVSFWLDUTHJF-ZDUSSCGKSA-N 316.427 -0.269 30 20 DBED C=CCCn1cc(C(=O)N2CCN(C(C)(C)C(N)=O)CC2)nn1 424706526 ZNBHYUPIGOGLHB-UHFFFAOYSA-N 320.397 -0.124 30 20 DBED C=CC[C@@H](C)NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1 443467320 QYPNIDLNSCEGOL-SNVBAGLBSA-N 311.429 -0.637 30 20 DBED C#CCN1CCN(C(=O)CN2CCNC(=O)[C@H]2CC(C)C)CC1 490714878 SGULZPZKNAVXAP-OAHLLOKOSA-N 320.437 -0.390 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CSC[C@H]2C)C1=O 561210646 NRNPAPVRYHVRRG-RKDXNWHRSA-N 311.363 -0.169 30 20 DBED CN(C)S(=O)(=O)N1CCCC[C@@H]1CN=c1nc[nH]cc1C#N 567747837 ZHICUQQVPFWMPX-GFCCVEGCSA-N 324.410 -0.157 30 20 DBED C=CCOC[C@H](NC(=O)[C@@H]1CCc2nnnn2CC1)C(=O)OC 573330100 FSQDEZXQBQUFNX-MNOVXSKESA-N 323.353 -0.514 30 20 DBED N#Cc1ncn(CCNC(=O)[C@@H]2CCCN2c2ncccn2)n1 588019634 FVIOOLDADAWQII-NSHDSACASA-N 312.337 -0.275 30 20 DBED COC(=O)[C@@H]1C[C@@H](O)CN(S(=O)(=O)CC2(C#N)CC2)C1 592110027 AMGFGJBYWAVBHJ-NXEZZACHSA-N 302.352 -0.524 30 20 DBED CC#CC[C@H](CO)NS(=O)(=O)c1cnn(CC(=O)OC)c1 592111116 GLWNNARXNBWPRH-SNVBAGLBSA-N 315.351 -0.891 30 20 DBED COC[C@@]1(C(=O)O)CCN(S(=O)(=O)N(C)C[C@@H](C)C#N)C1 593271724 PGGXLWHTZCZPBT-CMPLNLGQSA-N 319.383 -0.254 30 20 DBED CN(C)CCN(CC(=O)N(C)C)S(=O)(=O)CC1(C#N)CC1 594844218 TVADIIIMRAHACE-UHFFFAOYSA-N 316.427 -0.428 30 20 DBED COCCOCCN(CCO)S(=O)(=O)N(C)[C@H](C)CC#N 599394369 VPVFYYMIFDYGKI-GFCCVEGCSA-N 323.415 -0.578 30 20 DBED COCCN(C)CCN1C[C@@H](N=c2cc[nH]c(C#N)n2)CC1=O 601178266 NGEXPRPYNYXUJV-LBPRGKRZSA-N 318.381 -0.639 30 20 DBED CC[C@]1(O)CCCN(C(=O)C(=O)NC2CCN(CC#N)CC2)C1 602246644 ORPZQOTYRFYCLL-INIZCTEOSA-N 322.409 -0.146 30 20 DBED CCN(C[C@@H](C)C#N)C(=O)CN1CCN(Cc2nc[nH]n2)CC1 602863729 GETFVMBQCASSSF-ZDUSSCGKSA-N 319.413 -0.070 30 20 DBED CN1CCC[C@H]1C(=O)NCC#CCNC(=O)[C@@H]1CCCN1C 681339905 UMRUPSFEAXWHSV-KBPBESRZSA-N 306.410 -0.589 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)CCO1 737681366 DDWTZJZJMNKUGI-SNVBAGLBSA-N 320.334 -0.220 30 20 DBED C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)O[C@H](C)CC#N 756281028 DUCIDAXALJMBKP-BDAKNGLRSA-N 300.340 -0.068 30 20 DBED C=C[C@@H](C)NC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 757006934 RFMTVPUHUOCZKX-NXEZZACHSA-N 313.379 -0.157 30 20 DBED C#CCOc1ccccc1NC(=O)C(=O)N[C@H](C)C(=O)NC 773403402 QREGBXLSXHQQGK-SNVBAGLBSA-N 303.318 -0.112 30 20 DBED CNC(=O)[C@@H](C#N)C(=O)CNC(=O)CNC(=O)OC(C)(C)C 777298345 XLOKSUVCJFNNCR-QMMMGPOBSA-N 312.326 -0.918 30 20 DBED C[C@@H](C#N)OCCN1CCN(CCO[C@@H](C)C#N)CC(O)C1 801936474 QFYMVGJIANRNER-KBPBESRZSA-N 310.398 -0.178 30 20 DBED C[C@@](O)(CNC(=O)NCCn1cnc(C#N)n1)c1ccco1 805823288 FOFOQTPZIGPLJQ-CYBMUJFWSA-N 304.310 -0.050 30 20 DBED COC(=O)[C@@H]1[C@H]2CN(C(=O)C(=O)Nc3ccc(C#N)cn3)C[C@H]21 815706083 PIZQRDSKYFUHAW-IAZYJMLFSA-N 314.301 -0.231 30 20 DBED CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N1CCC(C#N)CC1 821140907 CZSKWTULXDHOKO-WDEREUQCSA-N 301.368 -0.256 30 20 DBED CC(C)(CNC(=O)CN(CC#N)CC(=O)O)N1CCOCC1 826561692 JGPDZXONYFTFIZ-UHFFFAOYSA-N 312.370 -0.876 30 20 DBED C[C@](C#N)(NC(=O)COC(=O)[C@@H]1CCCS1(=O)=O)C1CC1 848861683 RWNLNZZZFWAXIU-GXFFZTMASA-N 314.363 -0.085 30 20 DBED C#CC[C@H](CO)NC(=O)CNS(=O)(=O)c1ccc(C)cc1 854548572 VIWDGRVWTIPFGP-GFCCVEGCSA-N 310.375 -0.226 30 20 DBED C=CCC1(NC(=O)c2cn(C)c(=O)n(C)c2=O)CCOCC1 855685967 OLTBICMKXFJRQG-UHFFFAOYSA-N 307.350 -0.061 30 20 DBED C=C[C@H](O)C(=O)N1[C@H](C)SC[C@@H]1C(=O)NCCC(=O)OC 861984509 RTKFPRCJRZBGNH-AEJSXWLSSA-N 316.379 -0.497 30 20 DBED CN(CCO)C(=O)C(=O)N1CCN(c2ccc(C#N)cc2)CC1 867277716 TXVWWOJIUABNAB-UHFFFAOYSA-N 316.361 -0.342 30 20 DBED C#CCN(C)CCCNC(=O)N1CCC(C(=O)NCCO)CC1 875623486 QVPPDBPFDNOBMZ-UHFFFAOYSA-N 324.425 -0.528 30 20 DBED C#CC[C@H](CCOC)NC(=O)[C@H]1CCCN1C(=O)CNC(C)=O 876072916 CLPARYGXTYVACL-ZIAGYGMSSA-N 323.393 -0.342 30 20 DBED C=C[C@@H]1OCC[C@H]1NS(=O)(=O)CCS(=O)(=O)N(C)C 882236952 JBOQLNKGAYBFGP-ZJUUUORDSA-N 312.413 -0.859 30 20 DBED C#CC1(O)CN(C(=O)CNC(=O)c2cc(OC)cc(OC)c2)C1 890519158 DBDICANIPPSLOV-UHFFFAOYSA-N 318.329 -0.360 30 20 DBED CC(C)NC(=O)[C@H](C#N)C(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O 916946939 QJFPHORVOCEOBG-BMIGLBTASA-N 320.349 -0.060 30 20 DBED Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NO)CC2)cc1 918554301 QHJLIHUOLKVWMO-UHFFFAOYSA-N 313.379 -0.193 30 20 DBED CN(C(=O)[C@@H]1COC(=O)N1)[C@@H]1CCN(C(=O)C#CC2CC2)C1 937346821 DUNIIPHZRAHLDF-NEPJUHHUSA-N 305.334 -0.433 30 20 DBED C#Cc1ccc(C(=O)N2C[C@@H](NC(=O)C(N)=O)[C@H](C)C2)nc1 939691115 DHRJMODEWDKWPO-BXKDBHETSA-N 300.318 -0.875 30 20 DBED C#Cc1cncc(C(=O)NC[C@@H]2CN(C(=O)COC)CCO2)c1 944763620 BCALDAUAQYGZRM-CQSZACIVSA-N 317.345 -0.334 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2CCC[C@@H]2NC(=O)C(N)=O)cn1 946295928 YEQHBJMTUMVRIH-GWCFXTLKSA-N 314.345 -0.437 30 20 DBED CN1C[C@H](C(=O)N[C@H]2CCCN(C(=O)C#CC3CC3)C2)CC1=O 950758084 DQDUWUNIQJPSMA-KGLIPLIRSA-N 317.389 -0.015 30 20 DBED O=C1NCC[C@@H]1C(=O)N[C@H]1CCCN(C(=O)C#CC2CC2)C1 950761796 NSOFJUCCQNOTDO-STQMWFEESA-N 303.362 -0.357 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2CCN2C(=O)c2nc[nH]n2)cn1 951381685 JXKSZLDADRIHKV-GFCCVEGCSA-N 310.317 -0.175 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@@]3(CCN(C(=O)C(N)=O)C3)C2)c1 953141383 YBOCVVYYXAPBOF-OAHLLOKOSA-N 315.333 -0.564 30 20 DBED C[C@H](C#N)C(=O)N1CCC(N(C)C(=O)[C@@H]2COCCN2C)CC1 953882375 TYFRDXNTWVEHAW-OCCSQVGLSA-N 322.409 -0.074 30 20 DBED CN(C(=O)c1ccc(C(N)=O)[nH]1)C1CN(C(=O)C#CC2CC2)C1 955355364 MNPJCNJLKUBUSC-UHFFFAOYSA-N 314.345 -0.190 30 20 DBED Cn1cnnc1CN1C[C@H]2[C@H](NC(=O)c3ccc(C#N)[nH]3)[C@H]2C1 958601718 IXWOVPHFKWUDAT-YABSGUDNSA-N 311.349 -0.125 30 20 DBED N#Cc1cccc(CN2C[C@@H]3C(NC(=O)Cn4ncnn4)[C@H]3C2)c1 959892744 IDDJUYLFRKACNZ-KBPBESRZSA-N 323.360 -0.209 30 20 DBED Cc1nonc1C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H](C)C#N 960880365 VKABXMSLZJDJSQ-INTQDDNPSA-N 319.321 -0.411 30 20 DBED N#Cc1cc(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@@H]3CCOC3)C2)c[nH]1 961800701 PNYGWGQCRDHKPL-WQAKAFBOSA-N 318.333 -0.776 30 20 DBED C[C@H]1CN(C(=O)c2cnn[nH]2)C[C@@H]1NC(=O)c1cc(C#N)c[nH]1 966569382 FCCIWUPXOFPCFI-UFBFGSQYSA-N 313.321 -0.105 30 20 DBED C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)Cn2ncn(C)c2=O)C1 967034117 RSYBKBBBHVKZNI-OLZOCXBDSA-N 307.398 -0.016 30 20 DBED C=C(C)CCN1CC([C@@H](C)NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 970504044 OXSJIMVEZZWAMI-PWSUYJOCSA-N 308.382 -0.013 30 20 DBED N#CCN1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCCC(=O)N3)C2)C1 972545648 JHUUKEVOOCSHHK-BBRMVZONSA-N 320.393 -0.128 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](CNC(=O)C2CS(=O)(=O)C2)C1 983210761 FHRMYOOJBATTHX-ZJUUUORDSA-N 313.379 -0.845 30 20 DBED CN(CC#N)C1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)CC1 985689964 TWXAPNIISXFDEF-UHFFFAOYSA-N 319.365 -0.856 30 20 DBED C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 989272173 LTYZYLWEZPWDSC-MWLCHTKSSA-N 314.353 -0.480 30 20 DBED C#CCOc1ncccc1C(=O)N1CCCN(CC(N)=O)CC1 989508458 IYXSYPWSNBBVAT-UHFFFAOYSA-N 316.361 -0.273 30 20 DBED N#Cc1ccc(C(=O)N2CC(NC(=O)c3cnns3)C2)[nH]1 990354754 ZQLQXUTVPKJHFV-UHFFFAOYSA-N 302.319 -0.008 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CN(C(=O)c3cn(C)nn3)C[C@@]2(C)C1 993346441 YBFPNHJLPWGJOI-ZIBATOQPSA-N 316.365 -0.105 30 20 DBED Cn1nnc(C(=O)N2CC[C@H](C(F)(F)F)[C@@H](NCC#N)C2)n1 998278531 UKTUWAFRYKYUBB-YUMQZZPRSA-N 317.275 -0.284 30 20 DBED C[C@@H](C#N)C(=O)N1CCNC(=O)CCN(C(=O)[C@H](C)C#N)CC1 1001778419 WDRKMAOSASJPMY-NEPJUHHUSA-N 319.365 -0.517 30 20 DBED N#CCN1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 1004530219 PBRUMLJHNPQSDJ-QWHCGFSZSA-N 305.382 -0.106 30 20 DBED C[C@H]1C[C@@H](NC(=O)c2ncn(C)n2)CN1C(=O)C#CC1CC1 1012583253 XPNJLFCUDYXRFN-CMPLNLGQSA-N 301.350 -0.052 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2ccc(-n3cnnn3)cn2)C1 1015382791 RTQKAQLMJIZOAV-LBPRGKRZSA-N 311.349 -0.115 30 20 DBED N#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)c1nccnc1C(N)=O 1018249349 NXIKQVBEIDWDIL-AOOOYVTPSA-N 300.322 -0.612 30 20 DBED C=CCN1CC[C@H](N[C@H]2CCN(C(=O)Cc3cnc[nH]3)C2)C1=O 1019438857 VKEVSYIFUAKRKP-JSGCOSHPSA-N 317.393 -0.070 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@H]3CN(C(=O)C(N)=O)C[C@H]32)c1 1021326260 UMYZYOUCGQJXDC-GXSJLCMTSA-N 301.306 -0.955 30 20 DBED N#CCN1[C@H]2CC[C@H]1CC(NC(=O)C[C@@H]1CC(=O)NC1=O)C2 1021475677 CROVPUBCDOBAOK-USWWRNFRSA-N 304.350 -0.326 30 20 DBED C#CCCN1CCC[C@@H](CNC(=O)C2CC(=O)NC(=O)C2)C1 1023648302 VINOZGULCNHRFD-LBPRGKRZSA-N 305.378 -0.109 30 20 DBED COCCn1cc(C(=O)N2C[C@@H]3CC[C@@H](NCC#N)[C@H]3C2)nn1 1026261880 BCKHFNHIRDVULH-RWMBFGLXSA-N 318.381 -0.112 30 20 DBED C#CCNC1CCC(NC(=O)[C@@H]2COCCN2C(C)=O)CC1 1026608141 KSLVTNLBPTWDJO-NRXISQOPSA-N 307.394 -0.116 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H]2CCCN2[C@H]2CCNC2=O)c1 1027811817 AGOQVECELUQMCX-YPMHNXCESA-N 301.350 -0.031 30 20 DBED N#CCN1CCC[C@H]1CNC(=O)c1cc(=O)n2[nH]cnc2n1 1028260941 QOOOAFRDSAWQBP-VIFPVBQESA-N 301.310 -0.865 30 20 DBED N#CCN1CC[C@@H](CNC(=O)[C@H]2CN3CC4CC3(CO2)C4)C1 1028698701 PXFGCUZHONJASE-PGOFDVKTSA-N 304.394 -0.189 30 20 DBED Cn1nnc(C(=O)NCC2CN(CC#Cc3ccccc3)C2)n1 1031904932 OUFILBCILQHFBA-UHFFFAOYSA-N 310.361 -0.077 30 20 DBED COc1c(O)nc(O)nc1C(=O)N(C)[C@H]1CCN(CC#N)C1 1033577939 RRTJUSYMUANHDJ-QMMMGPOBSA-N 307.310 -0.434 30 20 DBED C#CCN1CCCC[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C1 1034232586 VKHPNZMFEKMJJI-CYBMUJFWSA-N 318.377 -0.849 30 20 DBED N#CCN1CCO[C@@H](CNC(=O)c2ccoc2CC(N)=O)C1 1035486815 GRLYPPJLNWYKFS-JTQLQIEISA-N 306.322 -0.738 30 20 DBED C#CCCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1ccc(-n2cnnn2)cn1 1037523685 RBJZJGODGNQIHF-BYCMXARLSA-N 323.360 -0.117 30 20 DBED N#CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)c1cn(C2CCOCC2)nn1 1037664025 KIZSCWRMCYNNGH-SWHYSGLUSA-N 316.365 -0.044 30 20 DBED C#CCCCC(=O)NC[C@@]1(O)CCN(C(=O)c2nc[nH]n2)C1 1039574701 WOGRHYNUKYLKLR-AWEZNQCLSA-N 305.338 -0.699 30 20 DBED C#CCOCCC(=O)NC[C@]1(O)CCN(C(=O)C2CCC2)C1 1039719609 XWZXSFLZNSFFSZ-MRXNPFEDSA-N 308.378 -0.094 30 20 DBED N#CCN1[C@H]2CCC[C@H]1CN(C(=O)c1nnc(O)nc1O)C2 1039731454 QRJQJLSTUWYMCA-IUCAKERBSA-N 304.310 -0.515 30 20 DBED Cc1cc(CC(=O)N2CC[C@](O)(CNC(=O)[C@@H](C)C#N)C2)n[nH]1 1040759981 FFVQJIFSAZCJOT-BONVTDFDSA-N 319.365 -0.500 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)C(=O)C(C)(C)C)C1 1040763412 OLVQVAHYUQEMMA-BONVTDFDSA-N 309.366 -0.159 30 20 DBED C[C@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)c2cn(C)cn2)C1 1040763880 SHPGFRXMLDAHQU-YGRLFVJLSA-N 305.338 -0.727 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)c2occc2C)C1 1041472427 RBROSHSXFHFFAN-GFCCVEGCSA-N 320.345 -0.071 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)[C@@H]2CCCOC2)C1 1042003986 SGQNNCFDXZXZIS-CHWSQXEVSA-N 324.377 -0.859 30 20 DBED Cn1cnn(CC(=O)N2CC[C@H]3CCN(CC#N)[C@H]3C2)c1=O 1042122100 LRNUBMFQZUOBCF-NEPJUHHUSA-N 304.354 -0.972 30 20 DBED CCO[C@H]1C[C@@H]1C(=O)N1CC(O)(CNC(=O)C#CC(C)C)C1 1042936373 FMCMPPPLGKQPST-STQMWFEESA-N 308.378 -0.240 30 20 DBED Cc1n[nH]c(C)c1C(=O)N1CC(O)(CNC(=O)C#CC(C)C)C1 1042938211 RLLFQFRBEKGFOV-UHFFFAOYSA-N 318.377 -0.011 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)c2cc(C)on2)C1 1043033453 ZMTHYTGLJPSATF-UHFFFAOYSA-N 321.333 -0.674 30 20 DBED Cn1cc(C(=O)N[C@@H]2CN(c3ccncc3C#N)C[C@@H]2O)cn1 1043854404 LTCHDIRAINHMGU-OCCSQVGLSA-N 312.333 -0.334 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)Cc3ccc[nH]3)C2)nn1 1043985112 WLDMZYZRVQRRMA-OLZOCXBDSA-N 312.333 -0.415 30 20 DBED C=CCN1CC[C@H](N2CC(N(C)C(=O)c3cnon3)C2)C1=O 1044075666 DFRTXHUJLDSRJK-LBPRGKRZSA-N 305.338 -0.387 30 20 DBED Cc1nc[nH]c1CC(=O)NCC1(O)CN(C(=O)[C@H](C)C#N)C1 1044319572 KHGOFLAAENGORF-SECBINFHSA-N 305.338 -0.890 30 20 DBED CC(C)(C)C#CC(=O)N1CC(O)(CNC(=O)Cc2cnoc2)C1 1045109826 BCWVJBYIOLUROO-UHFFFAOYSA-N 319.361 -0.044 30 20 DBED C#CCN1[C@H]2CC[C@H]1CN(C(=O)CN1CC(=O)N(C)C1=O)CC2 1045877780 WSDACNDBHTUCBT-STQMWFEESA-N 318.377 -0.421 30 20 DBED N#CCN1CC[C@H](N2CCN(C(=O)CCc3cnn[nH]3)CC2)C1 1046063795 XUZXMNMUBBMOQL-AWEZNQCLSA-N 317.397 -0.521 30 20 DBED CC#CCN1CC[C@](C)(NC(=O)c2cnc(O)n(C)c2=O)C1 1046536517 VQTYLWBNOHHENS-HNNXBMFYSA-N 304.350 -0.297 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)[C@H]2CN(C)C[C@@H]2C)C1 1046686129 ZSPLFUYTAGBWDB-STQMWFEESA-N 309.410 -0.160 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCN(C(=O)CC)C2)C1 1047589013 YIDMHCHJXLWMPD-KKUMJFAQSA-N 321.421 -0.228 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C)[nH]n2)C1 1048385280 LYWUTQRMTFWFKK-STQMWFEESA-N 322.365 -0.436 30 20 DBED C=CCN1CCOC[C@H]1CNC(=O)[C@H]1CN(C(C)=O)CCO1 1051230883 MJSXJRBJXLCPDE-ZIAGYGMSSA-N 311.382 -0.763 30 20 DBED C#CCN1CCN([C@H]2CCN(C(=O)[C@@H]3CCNC(=O)C3)C2)CC1 1052011014 KKFRNVQTEVYGHI-CABCVRRESA-N 318.421 -0.636 30 20 DBED C#CCC1(C(=O)N2C[C@@H](C)[C@H](CNC(=O)C(N)=O)C2)CCC1 1052747901 RBGFSNRFRZTEHJ-VXGBXAGGSA-N 305.378 -0.124 30 20 DBED C=C(Cl)CN1CC2(C1)CN(C(=O)[C@H]1C[C@H]1C(N)=O)CCO2 1053433747 HNCCLUGTZUPVQU-MNOVXSKESA-N 313.785 -0.227 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)c3c(C)nnn3CC)CO2)C1 1053828771 ZTRJQTJDDMEMFZ-LBPRGKRZSA-N 303.366 -0.187 30 20 DBED CCN1CCOC[C@@H]1C(=O)N[C@H]1COC2(C1)CN(CC#N)C2 1053854096 RYSQVSDCBHPOMS-CHWSQXEVSA-N 308.382 -0.810 30 20 DBED Cc1c[nH]c(C(=O)N[C@@]2(CO)CCCN(C(=O)[C@@H](C)C#N)C2)n1 1055963571 SPRMJXCNFQPOKC-BONVTDFDSA-N 319.365 -0.039 30 20 DBED N#Cc1nccnc1N1CCN(C(=O)[C@@H]2CC[C@@H]2C(N)=O)CC1 1055974158 YAYAOAZLFCLYDC-WDEREUQCSA-N 314.349 -0.492 30 20 DBED N#Cc1cnc(N2CCN(C(=O)[C@H]3CCC(=O)NC3)CC2)cn1 1056079849 ZCWHIDBIAVMSJK-NSHDSACASA-N 314.349 -0.477 30 20 DBED O=C(CCn1cccn1)NCCN(CCO)C(=O)C#CC1CC1 1057531696 VUOSAVDIHKWINQ-UHFFFAOYSA-N 318.377 -0.376 30 20 DBED C#CCO[C@H](C)C(=O)N(CCO)CCNC(=O)CC(C)(C)O 1057583695 XTYUTKOJXIVXQW-GFCCVEGCSA-N 314.382 -0.877 30 20 DBED N#Cc1nccc(N2CCC(NC(=O)Cn3cnnn3)CC2)n1 1057840822 VFVUKNPQQBVSLR-UHFFFAOYSA-N 313.325 -0.880 30 20 DBED CC(C)[C@@H](C(=O)N(CCO)CCNC(=O)C#CC1CC1)N(C)C 1057882554 SLQXIADLWYDLKR-INIZCTEOSA-N 323.437 -0.077 30 20 DBED Cc1nsc(N2CC[C@@H](NC(=O)Cn3ncnn3)C2)c1C#N 1058452260 OORPSSJIXBCOFW-SECBINFHSA-N 318.366 -0.295 30 20 DBED C#CCOCCC(=O)NCCN(CCO)C(=O)c1cccnn1 1058527843 LTSBHEIGXFJJGG-UHFFFAOYSA-N 320.349 -0.933 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)Cc1ccc(O)nc1 1058660608 DNEIGKTUCIKJPL-LLVKDONJSA-N 320.349 -0.574 30 20 DBED C[C@H]1CCCN1CC(=O)N(CCO)CCNC(=O)C#CC1CC1 1058843411 ATNZWRPTGHQCOF-AWEZNQCLSA-N 321.421 -0.179 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1CCN(C(=O)[C@H]2CCNC(=O)C2)C1 1058872362 MACBFBGKPVQFSA-AAEUAGOBSA-N 313.361 -0.086 30 20 DBED N#Cc1cnc(N[C@H]2CCN(C(=O)[C@@H]3CCCNC3=O)C2)cn1 1058985841 UXNUVQRRXPITAJ-CMPLNLGQSA-N 314.349 -0.113 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)COCC1CC1 1061342495 AZQMEHOITAFAGK-DGCLKSJQSA-N 309.366 -0.084 30 20 DBED Cc1cc(C(=O)N2CCOC[C@@H]2CNC(=O)[C@@H](C)C#N)ncn1 1061845992 AGJFORVWKHJQJW-JQWIXIFHSA-N 317.349 -0.098 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCO[C@H](CNC(=O)c2cnon2)C1 1065096863 LOYNHCIQDZVAQD-YGRLFVJLSA-N 324.337 -0.646 30 20 DBED C=C(C)CCC(=O)N1CCO[C@H](CNC(=O)[C@H]2CNC(=O)N2)C1 1065224394 OOBDYILGWKIXJG-VXGBXAGGSA-N 324.381 -0.632 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)C2(C(N)=O)CC2)CCO1 1065543849 GZHQNJLEBUMOTB-LBPRGKRZSA-N 321.377 -0.601 30 20 DBED C[C@@H]1CN(C(=O)c2cc[n+]([O-])cc2)C[C@@H]1N=c1cc[nH]c(C#N)n1 1067039615 KJRUEOYZNJPPHU-YPMHNXCESA-N 324.344 -0.024 30 20 DBED COCC(=O)N1CC[C@@]2(C1)CN(c1ccc(C#N)nn1)CCO2 1068075133 QSMCWOZSAAVJBB-HNNXBMFYSA-N 317.349 -0.198 30 20 DBED Cc1cc(C#N)nc(N2C[C@H](NC(=O)C(N)=O)C(C)(C)C2)n1 1068133303 FZSZFCIGEKQHAI-JTQLQIEISA-N 302.338 -0.527 30 20 DBED CC[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1 1069982848 WBOOFNIZCTUDDT-MQYQWHSLSA-N 318.381 -0.042 30 20 DBED Cn1cncc1[C@@H]1CN(C(=O)[C@@H]2CCOC2)C[C@H]1NCC#N 1070626132 PKPVEMDPLZABSD-JHJVBQTASA-N 303.366 -0.136 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC[C@@H](NC(=O)c2ncn(C)n2)C1 1070727453 ZMTLZILYNIBLBR-VXGBXAGGSA-N 319.365 -0.426 30 20 DBED Cc1n[nH]c(C)c1C(=O)N1CCC(=O)NCCN(CC#N)CC1 1071009299 JTHBZKDGAKEAAK-UHFFFAOYSA-N 318.381 -0.186 30 20 DBED C[C@H]1CN(C(=O)c2ncn(C)n2)C[C@]2(CCN(CC#N)C2)O1 1071164868 UBNWERNNWFXECC-SMDDNHRTSA-N 304.354 -0.356 30 20 DBED C=C(C)CN1C[C@@H](NC(=O)CN2CCNC(=O)C2)CC[C@@H]1C 1071738391 BRBGPLLOWGXDTI-KBPBESRZSA-N 308.426 -0.037 30 20 DBED C[C@H]1CN(C(=O)c2cc(=O)n(C)o2)C[C@@H]1NC(=O)C#CC1CC1 1071977181 ADSLDWKGHWUIKJ-JQWIXIFHSA-N 317.345 -0.032 30 20 DBED C[C@@H]1CN(C(=O)CC(=O)N(C)C)C[C@@H]1NC(=O)C#CC1CC1 1072130070 RREVAULMUIMJDU-YPMHNXCESA-N 305.378 -0.159 30 20 DBED C=CC(C)(C)C(=O)N[C@H]1CN(C(=O)Cn2ncnn2)C[C@H]1C 1072161934 SNKDFPIFFQLMOP-MNOVXSKESA-N 306.370 -0.152 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@@H]1C 1072632082 IMZUVQLVJYYVAW-NWDGAFQWSA-N 323.393 -0.192 30 20 DBED CC#CCN1CCCO[C@H](CNC(=O)[C@@H]2COCCN2C)C1 1073578752 VKHZJZMTMQLZOT-CABCVRRESA-N 309.410 -0.453 30 20 DBED COc1cc(C(=O)N2CC[C@@H]3OCCN(CC#N)[C@@H]3C2)ncn1 1074242112 SJGDAUHCXSYXJJ-OLZOCXBDSA-N 317.349 -0.076 30 20 DBED C=CCOCC(=O)NCC[C@H](C)NC(=O)[C@H](C)NC(N)=O 1075917900 NBUTYMIHUFOJKL-UWVGGRQHSA-N 300.359 -0.743 30 20 DBED C=CCn1cc(C(=O)N[C@@H](C)CCNC(=O)c2nc[nH]n2)nn1 1077834690 GGVUBWRXSHZSKU-VIFPVBQESA-N 318.341 -0.479 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)Cn2c(=O)oc3ccccc32)C1 1078163538 SDMDXXKMGVNXPD-DGCLKSJQSA-N 317.345 -0.058 30 20 DBED C#CCN[C@@H]1C[C@@H](NC(=O)c2nccnc2C(N)=O)C12CCC2 1078802877 JEFXBQIGAVMEAE-GHMZBOCLSA-N 313.361 -0.161 30 20 DBED C#CCN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)C1CC(=O)NC(=O)C1)C2 1079063497 ZTXDAUVKHQQJSF-RAIGVLPGSA-N 303.362 -0.359 30 20 DBED C#CCOCCC(=O)N1CC(N(CC)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1079746817 JNCFHKSMBWKDSZ-CHWSQXEVSA-N 323.349 -0.249 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CO)(NC(=O)c2cnns2)CC1 1080746445 REPMOGLJTKNIHS-SECBINFHSA-N 323.378 -0.219 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)Cn2nccn2)C[C@@H]1O 1081335687 NYEFSXVPJMIQTC-NEPJUHHUSA-N 307.354 -0.820 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H]1CN(C(=O)C(C)(C)C)C[C@H]1O 1081424314 CXDHZLNKFXSRAJ-VXGBXAGGSA-N 323.393 -0.893 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)c2cnns2)C[C@@H]1O 1081440971 BQIAJBDQZKQNHF-MNOVXSKESA-N 322.390 -0.109 30 20 DBED C=CCC(C)(C)C(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2nc[nH]n2)C1 1081652714 FFULWHULOPIBQA-WDEREUQCSA-N 321.381 -0.044 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CCCC(=O)N1 1083114531 LDLVAAGAOXOJKS-HZSPNIEDSA-N 305.378 -0.410 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1083147723 AVIYMRMYJMPJBO-LEXUZLFXSA-N 303.362 -0.155 30 20 DBED Cn1cc(C(=O)N[C@@H]2CN(CC#N)C[C@@H]2O)c(-c2ccco2)n1 1083452516 NZBISIZVHZFJCV-NEPJUHHUSA-N 315.333 -0.021 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)c2ccnc(NC(C)=O)c2)C1 1083874562 CKYMKTSOAVYFES-KGLIPLIRSA-N 316.361 -0.162 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2cnn(-c3nccs3)c2)C1 1083937079 LMGCMWZVWKWMIT-NEPJUHHUSA-N 317.374 -0.263 30 20 DBED Cc1ccn2ncc(C(=O)N[C@@H]3CN(CC#N)C[C@@H]3O)c2n1 1083963099 FNGCGHRDWUBDPP-NEPJUHHUSA-N 300.322 -0.664 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCCS2(=O)=O)C1 1084076279 FEAUQKLTQBDZLY-AGIUHOORSA-N 316.423 -0.309 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2ccccc2-n2ccnn2)C1 1084123193 YLZXNRXQFYWVRF-OCCSQVGLSA-N 312.333 -0.434 30 20 DBED C=CCCn1cc(C(=O)N2C[C@H]3CCN(CC(N)=O)C[C@H]32)nn1 1084713304 VJECWYULLQRLCJ-DGCLKSJQSA-N 318.381 -0.514 30 20 DBED N#CCN[C@H]1CCCCCN(C(=O)Cn2cnc(C(N)=O)n2)C1 1088316008 NZZLPPRRRHNAHA-NSHDSACASA-N 319.369 -0.739 30 20 DBED Cc1nn(C)c(=O)c(C(=O)N[C@@H]2CCN(CC#N)C[C@H]2O)c1C 1090478805 HTRPMTYPSLDMRR-VXGBXAGGSA-N 319.365 -0.914 30 20 DBED CC(=O)N[C@@H](C)C(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1C 1090649349 KMUCKBCOGGSBCA-GBIKHYSHSA-N 316.365 -0.186 30 20 DBED CN(C)CCCC(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1091175652 LQHGDTJHEMKHNR-OLZOCXBDSA-N 318.381 -0.644 30 20 DBED N#Cc1nccnc1NCCNC(=O)[C@H]1CCc2nncn2C1 1093669231 ZJCREUSMBDQNMO-JTQLQIEISA-N 312.337 -0.270 30 20 DBED N#Cc1cncc(NCCNC(=O)CNC(=O)N2CCCC2)n1 1093893348 XDNCICAVPDVTGD-UHFFFAOYSA-N 317.353 -0.318 30 20 DBED C[C@@H](NS(C)(=O)=O)C(=O)NCCNc1ccc(C#N)nc1 1094147942 LGTXLCNLWRAMGS-SECBINFHSA-N 311.367 -0.581 30 20 DBED N#Cc1nc(=NCCCNC(=O)[C@@H]2CCS(=O)(=O)C2)cc[nH]1 1094661862 LXDFFIGTBSBBHM-SNVBAGLBSA-N 323.378 -0.877 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)[C@H]3CCCCO3)CC2=O)C1 1094727903 RAHWMJRCQFDRCQ-TZMCWYRMSA-N 305.378 -0.410 30 20 DBED CC(=O)N[C@H](C)C(=O)N[C@H]1CCCN(c2ccnc(C#N)n2)C1 1096134615 LEIFDYUXMHTUMA-PWSUYJOCSA-N 316.365 -0.042 30 20 DBED CC(=O)N(C)CC(=O)N[C@H]1CCCN(c2cncc(C#N)n2)C1 1096169469 ZGIBPMLTYYMDTD-LBPRGKRZSA-N 316.365 -0.088 30 20 DBED CC(=O)N(C)CC(=O)N[C@H]1C[C@@H](Nc2cnc(C#N)cn2)C1 1097151809 LRQHIITXRADBNK-PHIMTYICSA-N 302.338 -0.114 30 20 DBED CCc1nc(C#N)cc(N[C@H](C)CNC(=O)CNC(N)=O)n1 1097691413 YUTYHBLVECGYJZ-MRVPVSSYSA-N 305.342 -0.504 30 20 DBED C[C@@H](CNC(=O)CC1CS(=O)(=O)C1)N=c1cc[nH]c(C#N)n1 1098123431 BEHQBHRHCLBRFZ-VIFPVBQESA-N 323.378 -0.879 30 20 DBED Cc1cc(=N[C@@H](C)CNC(=O)[C@@H]2CCNC2=O)c(C#N)c[nH]1 1098211143 GLSXLTDTLAPAIM-CMPLNLGQSA-N 301.350 -0.264 30 20 DBED COCC#CCN(CCO)C1CCN(C(=O)c2nc[nH]n2)CC1 1098505829 DCWWHJOJHKVDSW-UHFFFAOYSA-N 321.381 -0.647 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)c2ccco2)[C@@H](O)C1 1099622604 AQGKQTQVBFFTMJ-RYUDHWBXSA-N 305.334 -0.806 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)c2cc(C)no2)[C@@H](O)C1 1099668065 AYGREALFWUYDHP-RYUDHWBXSA-N 322.365 -0.550 30 20 DBED Cn1nncc1CN1CC[C@H](NC(=O)CSCC#N)[C@H](O)C1 1099690636 RTYJHKKPSRKAJG-NWDGAFQWSA-N 324.410 -0.877 30 20 DBED C#CCN1CC[C@@H](NC(=O)CCc2cc(OC)no2)[C@@H](O)C1 1099853291 NRAVDOPTMDKRKR-OLZOCXBDSA-N 307.350 -0.200 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)c2cncnc2O)[C@H](O)C1 1099887818 LEHIXTXIKIDEPR-CHWSQXEVSA-N 322.365 -0.450 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)CCCCNC(N)=O)[C@H](O)C1 1099909162 OIIOGBUKDGCEFP-QWHCGFSZSA-N 312.414 -0.048 30 20 DBED CN(CCNC(=O)CNC(N)=O)c1cc(C#N)ccc1[N+](=O)[O-] 1099910476 DPBLQSYALPXQBR-UHFFFAOYSA-N 320.309 -0.313 30 20 DBED CN(CCNC(=O)CNC(N)=O)c1nc(C#N)c(Cl)s1 1099910802 VSPJVVZJWPRKLY-UHFFFAOYSA-N 316.774 -0.111 30 20 DBED CCC1(C(=O)N[C@@H]2CCN(CC(=O)NCC#N)C[C@@H]2O)CC1 1099989946 VUMXFJDUGKTQAP-NEPJUHHUSA-N 308.382 -0.632 30 20 DBED CCN(CC)CC(=O)N[C@@H]1CCN(CC#CCOC)C[C@H]1O 1100049282 ZWOYYEAPKNQCTR-HUUCEWRRSA-N 311.426 -0.471 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)c2c[nH]cc2C)[C@@H](O)C1 1100108113 QPTIWYOVJKPQOU-KBPBESRZSA-N 318.377 -0.762 30 20 DBED CC(=O)N(C)CC(=O)NC[C@H]1CCCN1c1cncc(C#N)n1 1100789287 DQCPKBLTMOVTQS-CYBMUJFWSA-N 316.365 -0.088 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)c2ccn(C)n2)C1 1100982085 JYPDWMMMHMNQRT-UHFFFAOYSA-N 303.366 -0.733 30 20 DBED C#CCOCCC(=O)N1C[C@H]2CN(C[C@@H](O)COC)C[C@@]2(C)C1 1101235480 XOSVRPOPYLJNEW-INMHGKMJSA-N 324.421 -0.186 30 20 DBED COCCOCC(=O)N[C@H]1CC2(CN(CC#N)C2)n2ccnc21 1101620637 PDYHFXBZFRURLX-LBPRGKRZSA-N 319.365 -0.358 30 20 DBED CN(CCNc1cnc(C#N)cn1)C(=O)CCN1CCOCC1 1101685195 SBIZYIXXHKMEHT-UHFFFAOYSA-N 318.381 -0.059 30 20 DBED CN(CCNc1nccnc1C#N)C(=O)c1cc(C(N)=O)c[nH]1 1101728774 LOKVOXKLFZSOGP-UHFFFAOYSA-N 313.321 -0.041 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1CCNC(=O)C[C@@H]1CC(=O)NC1=O 1103789686 MPDYIWBBSVMQCM-IJLUTSLNSA-N 306.366 -0.363 30 20 DBED C[C@H](CNC(=O)[C@@H]1COCCO1)CNc1ccc(C#N)nn1 1103878688 YHHXRWQUKSHVGA-JQWIXIFHSA-N 305.338 -0.072 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](C)[C@H](CCNCc2nnn(C)n2)C1 1104005280 YPNCESWOADFHTA-QJPTWQEYSA-N 305.386 -0.056 30 20 DBED N#Cc1ccc(N2CCO[C@@H](CNC(=O)CC(N)=O)C2)nc1 1104305592 RZJCROQHIGTKGV-NSHDSACASA-N 303.322 -0.850 30 20 DBED CNC(=O)CC(=O)N1CC[C@H](N=c2cc[nH]c(C#N)n2)[C@@H](C)C1 1105041479 UFLGWNGVWXYYLF-QWRGUYRKSA-N 316.365 -0.445 30 20 DBED CO[C@@H](C)CNCc1cn(C2CN(C(=O)[C@H](C)C#N)C2)nn1 1105190379 VKHXFJHOFWXJKJ-MNOVXSKESA-N 306.370 -0.054 30 20 DBED CNC(=O)NCC(=O)NC[C@H](Nc1cnc(C#N)cn1)C(C)C 1105299024 ZDMCOGKVZULNGQ-NSHDSACASA-N 319.369 -0.170 30 20 DBED C=CCNCc1cn(C2CN(C(=O)CCc3cnn[nH]3)C2)nn1 1105330292 ZSKBZZXVMXBXSD-UHFFFAOYSA-N 316.369 -0.312 30 20 DBED N#Cc1cncc(NC[C@H]2CCC[C@H]2NC(=O)CC(N)=O)n1 1105652016 OUAVLIFEVSZNDO-MWLCHTKSSA-N 302.338 -0.080 30 20 DBED N#Cc1cnc(NC[C@H](O)CNC(=O)C2=COCCO2)cn1 1105715280 PPCTYPZPKAHUJP-JTQLQIEISA-N 305.294 -0.875 30 20 DBED Cn1nccc1CC(=O)NC[C@H](O)CN=c1cc[nH]cc1C#N 1105806534 YZSAMEAKVQIFDY-CYBMUJFWSA-N 314.349 -0.760 30 20 DBED Cc1cc(CC(=O)NC[C@@H](O)CNc2ccc(C#N)nn2)n[nH]1 1105816449 DCDJDJXHGYHCAY-LBPRGKRZSA-N 315.337 -0.489 30 20 DBED Cc1ccc(C#N)c(NC[C@@H](O)CNC(=O)[C@@H]2CCC(=O)N2)n1 1105921233 BAIJXOVXMWYCFZ-NEPJUHHUSA-N 317.349 -0.571 30 20 DBED N#Cc1nccnc1NC[C@@H](O)CNC(=O)CO[C@H]1CCOC1 1105972380 IKKIQAGEFXTMRW-QWRGUYRKSA-N 321.337 -0.957 30 20 DBED C[C@H](CCNc1ccc(C#N)nn1)NC(=O)[C@@H]1CN(C)C(=O)N1 1106518553 CVLMGPCLZXFSEU-KOLCDFICSA-N 317.353 -0.321 30 20 DBED N#Cc1cncc(NC/C=C/CNC(=O)CCNC(N)=O)n1 1107189207 DQQWWPBDPDALPC-OWOJBTEDSA-N 303.326 -0.509 30 20 DBED C[C@@H](C(=O)NC/C=C/CNc1cncc(C#N)n1)S(C)(=O)=O 1107575777 FXFGZLHPZWIREO-FSIBCCDJSA-N 323.378 -0.134 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)C[C@H]1COC(=O)C1 1108309131 SPTGFEWGKZDHEX-VHSXEESVSA-N 303.322 -0.360 30 20 DBED C[C@@H](CNc1nccnc1C#N)NC(=O)[C@@H]1CCNC(=O)C1 1108335780 VPBHKWMQKGIBJA-VHSXEESVSA-N 302.338 -0.209 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)CCN1CCCC1=O 1108399401 ZIULNSYPFGYTDY-NSHDSACASA-N 316.365 -0.301 30 20 DBED C#CCCN1CCN(C(=O)CCOC)[C@@H]2CS(=O)(=O)C[C@@H]21 1108450325 NZNZVWRWBDAMLU-QWHCGFSZSA-N 314.407 -0.644 30 20 DBED Cc1cc(=NC[C@H](C)NC(=O)[C@@H]2CN(C)C(=O)N2)c(C#N)c[nH]1 1108635638 OAUSQDJCYICOFL-GWCFXTLKSA-N 316.365 -0.376 30 20 DBED C[C@@H](CNc1cncc(C#N)n1)NC(=O)[C@@H]1CCC(=O)NC1 1108776785 NWJIOLQUAZPCJU-VHSXEESVSA-N 302.338 -0.209 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CN(C)c1cc(F)ncn1 1108940641 GLHQZQMUPBIZSW-JTQLQIEISA-N 307.329 -0.304 30 20 DBED C[C@@H](CN(C)c1ccncc1C#N)NC(=O)[C@H]1CNC(=O)N1 1109210577 CQTUZASOWKRENY-GXSJLCMTSA-N 302.338 -0.424 30 20 DBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCCC(N)=O 1110199232 WWMWBRRNDMUXKW-WOPDTQHZSA-N 321.381 -0.997 30 20 DBED CCO[C@H](C)C(=O)NC[C@]1(O)CCN(c2nccnc2C#N)C1 1111029205 FGLJHAOTUIWJGW-IAQYHMDHSA-N 319.365 -0.169 30 20 DBED CCO[C@@H](C)C(=O)N(C)[C@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1111174489 NDDOBVZTDDXSBV-DRZSPHRISA-N 319.365 -0.219 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)COC2CCCC2)CC1 1112645890 CSGBAZHNATXJPG-UHFFFAOYSA-N 308.382 -0.270 30 20 DBED CCOCC(=O)NC[C@@H]1CN(c2nccnc2C#N)C[C@@H]1O 1112692116 KJGPFBOEUMWCAE-PWSUYJOCSA-N 305.338 -0.702 30 20 DBED CCOCCC(=O)NC[C@@H]1CN(c2nccnc2C#N)C[C@H]1O 1112701266 FSTPWUDBEDOWHS-DGCLKSJQSA-N 319.365 -0.312 30 20 DBED Cc1nn[nH]c1C(=O)N[C@H](C)[C@H](C)N=c1cc[nH]c(C#N)n1 1113249369 RMZDKGOVGREYLC-JGVFFNPUSA-N 300.326 -0.184 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)c3cn(C)nc3C)[C@H]2C1 1114081566 AMHQRXBUSGKDPX-STQMWFEESA-N 317.393 -0.309 30 20 DBED N#CCNC(=O)CN1C[C@H]2C(NC(=O)CC[C@H]3CCOC3)[C@@H]2C1 1114134139 JGBHABIQGDWGIO-YNEHKIRRSA-N 320.393 -0.511 30 20 DBED COCCOC[C@H](O)CN1C[C@H]2[C@H](NC(=O)C#CC(C)C)[C@H]2C1 1114247878 QGZZXTHPFZLNHT-AIANPOQGSA-N 324.421 -0.284 30 20 DBED COCC#CCN1C[C@@H]2C(NC(=O)CC(=O)NCC3CC3)[C@H]2C1 1115093839 JGSQGJIJRDEYGX-KBPBESRZSA-N 319.405 -0.401 30 20 DBED CCCNC(=O)CCC(=O)N[C@H]1[C@@H]2CN(CC#CCOC)C[C@@H]21 1115139357 BKKZDVBCDXANTQ-HALDLXJZSA-N 321.421 -0.011 30 20 DBED CCCN(C)CC(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1115149899 JGTUCIZAQMJSFH-JYAVWHMHSA-N 307.398 -0.986 30 20 DBED N#CCN1CCC(NC(=O)C(=O)NCCc2cccnc2)CC1 1116994135 YYVAESQVYUWNME-UHFFFAOYSA-N 315.377 -0.156 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CCO[C@@H]([C@H]2CCCO2)C1 1117543062 CIBXULYSOXCEHM-JHJVBQTASA-N 312.366 -0.290 30 20 DBED C[C@@H]1CC(=O)NCCN1C(=O)C(=O)N1CCC[C@](C)(C#N)C1 1117866909 QNLGNHXIEFCJRP-IAQYHMDHSA-N 306.366 -0.124 30 20 DBED N#CCCN1CCN(C(=O)C(=O)NCCOCC2CCC2)CC1 1119030094 FUPFJOUNEXIPIV-UHFFFAOYSA-N 322.409 -0.023 30 20 DBED CCCC(=O)NCC(=O)NC[C@@H](CO)Nc1ncccc1C#N 1121158796 PPBFWWOBZJZZMN-LBPRGKRZSA-N 319.365 -0.241 30 20 DBED CN1CC[C@H](C(=O)NC[C@@H](CO)Nc2cncc(C#N)n2)C1 1121591522 QBTKTDSOINCTAG-JQWIXIFHSA-N 304.354 -0.811 30 20 DBED Cc1cc(=N[C@H](CO)CNC(=O)Cn2ccnc2)c(C#N)c[nH]1 1121718605 OQDVWUKSPGIOGN-ZDUSSCGKSA-N 314.349 -0.531 30 20 DBED CN(C)C1(C(=O)NC[C@@H](CO)N=c2cc[nH]c(C#N)n2)CCC1 1122188786 ABYVPRIHZLQZTA-NSHDSACASA-N 318.381 -0.857 30 20 DBED C[C@@H]1OCCO[C@@H]1C(=O)NC[C@H](CO)Nc1ccc(C#N)nn1 1122776294 QMVFWRCTDFGBCY-NDMJEZRESA-N 321.337 -0.959 30 20 DBED CNC(=O)CC(=O)N1CC[C@@H](Nc2cncc(C#N)n2)[C@@H]1C 1122972054 SKGPMOBIUKYASP-GXSJLCMTSA-N 302.338 -0.114 30 20 DBED CN(C[C@@H](O)CNc1ccc(C#N)nn1)C(=O)c1cn(C)nn1 1124295831 NFLUUQUAIQVYBJ-JTQLQIEISA-N 316.325 -0.978 30 20 DBED C#CCOCCC(=O)NCCN[C@H]1CCN(C2CCC2)C1=O 1127023732 QGKWHICRNXSFTI-AWEZNQCLSA-N 307.394 -0.115 30 20 DBED C=CCOCC(=O)N1C[C@H](n2ccnn2)[C@H](NCCCOC)C1 1129681680 VWSGLRKXOLSKOG-KGLIPLIRSA-N 323.397 -0.141 30 20 DBED C=CCNC(=O)CN1CCOC[C@@H]1c1n[nH]c(CNC(C)=O)n1 1130819882 JDSCZUBPYKVPQY-LLVKDONJSA-N 322.369 -0.884 30 20 DBED COC(=O)NCC(=O)N1C[C@@H](C)O[C@]2(CCN(CC#N)C2)C1 1131638243 JGXUHTGIRAZFFQ-RISCZKNCSA-N 310.354 -0.442 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)CCc2nc(C)no2)C1=O 1132116308 ZPQGWNNTPVVGRD-LBPRGKRZSA-N 321.381 -0.197 30 20 DBED C=CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)CCc1nc[nH]n1 1134044083 UXENNYIHSSDCIM-NEPJUHHUSA-N 322.413 -0.088 30 20 DBED C[C@@H](C[C@H](C)NC(=O)c1ccnnc1)NCC(=O)NCC#N 1135541010 XMFUFAJHRBHMOG-QWRGUYRKSA-N 304.354 -0.397 30 20 DBED CNC(=O)C1(C(=O)N[C@H](C)C[C@@H](C)NCC(=O)NCC#N)CC1 1135676568 YRGRGOCADZTRDE-GHMZBOCLSA-N 323.397 -0.975 30 20 DBED CCN(C)CCC(=O)N[C@H](C)C[C@@H](C)NCC(=O)NCC#N 1135882276 JTGSZPFOQXTXOW-CHWSQXEVSA-N 311.430 -0.159 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)CC(=O)NCC1CC1 1147093129 YFEZCAGCVSJTLT-LLVKDONJSA-N 310.398 -0.701 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cn(C(C)C)nc1C 1147583245 ADUUJVOVLUMQMB-UHFFFAOYSA-N 305.382 -0.159 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)CCCC(=O)NCC 1148192891 ZLLGYDPOQGNWKW-GFCCVEGCSA-N 312.414 -0.311 30 20 DBED C[C@H](C(=O)NC[C@H]1CN(CC(=O)NCC#N)CCCO1)C1CC1 1149472612 GLQOMQHVJYBJTH-JSGCOSHPSA-N 322.409 -0.121 30 20 DBED C=CCOCCN1CCCO[C@@H](CNC(=O)c2cnnn2C)C1 1149646423 MEXYTSKBHWPAJP-ZDUSSCGKSA-N 323.397 -0.162 30 20 DBED N#CCNC(=O)CN1CCCO[C@@H](CNC(=O)[C@@H]2CC23CC3)C1 1150363197 KDQUXXAUWQCCPF-STQMWFEESA-N 320.393 -0.367 30 20 DBED COCCC1(NC(=O)[C@H]2COCCN2C)CCN(CC#N)CC1 1151075234 PSTZYTKHOFHDOT-CQSZACIVSA-N 324.425 -0.172 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@@H]1Cc2cccc(F)c2O1 1151673326 MRFWPCUQXYTQFI-ZDUSSCGKSA-N 319.336 -0.416 30 20 DBED C#CCN1CC=C(CCNC(=O)CN2CCN(C)C(=O)C2)CC1 1160551668 LNBSVDBYQGXEAC-UHFFFAOYSA-N 318.421 -0.468 30 20 DBED COCC1(CNC(=O)[C@@H]2CC[C@H]2C(N)=O)CCN(CC#N)CC1 1162402025 ZPVDZQZYFKKVJM-CHWSQXEVSA-N 322.409 -0.134 30 20 DBED C=CCC[C@@H](C)NCCCNC(=O)CN1C(=O)C(=O)N(C)C1=O 1167567580 GTHZNLHIRUOOIV-LLVKDONJSA-N 324.381 -0.142 30 20 DBED COCC#CCNCCCC[C@@H](C)NC(=O)CS(C)(=O)=O 1169558386 YMOLFCYGCSKAOZ-CYBMUJFWSA-N 318.439 -0.055 30 20 DBED C=CCNC(=O)CNCCCC[C@@H](C)NC(=O)c1ncn(C)n1 1170578759 ZTFLEOOSRDYPCJ-GFCCVEGCSA-N 322.413 -0.005 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)CN(C)C(=O)COC)C[C@@H]21 1177029035 BFHGPOFQSJSNFG-UONOGXRCSA-N 323.393 -0.974 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2cn(C)cn2)C1 1182014687 HWNQAGYZYUVREI-VXGBXAGGSA-N 303.366 -0.638 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2ccn(C)n2)C1 1187834312 AKRHPZGRYAGBTB-NWDGAFQWSA-N 305.382 -0.085 30 20 DBED C=CCOCC(=O)N1CC[C@H](N(C)[C@@H]2CCC(=O)NC2=O)C1 1189381514 YFTKCQQEHPIANX-NWDGAFQWSA-N 309.366 -0.473 30 20 DBED CNC(=O)CCCC(=O)N1CC[C@H](N(C)CC(=O)NCC#N)C1 1189785801 BSWNYPNSUSRRHA-LBPRGKRZSA-N 323.397 -0.925 30 20 DBED C=CCNC(=O)[C@H](C)N(C)[C@@H]1CCN(C(=O)Cc2nc[nH]n2)C1 1193374551 WGHAGVFNKGGXLG-NWDGAFQWSA-N 320.397 -0.429 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)c2cnn(C)c2N)CC1 1195549672 NNIZRKLAIDUTPG-UHFFFAOYSA-N 320.397 -0.548 30 20 DBED C=CCC1(C(=O)N[C@@H]2CN(CCOCCO)C[C@H]2O)CCC1 1195897276 XYFYERAWBKLCDG-ZIAGYGMSSA-N 312.410 -0.097 30 20 DBED C#CCNC(=O)[C@H](C)N1CCCN(C(=O)CC(=O)N(C)C)CC1 1197388668 ICWGWDMSFDMHCQ-ZDUSSCGKSA-N 322.409 -0.863 30 20 DBED CCO[C@H]1C[C@@H]1C(=O)N1CCC(NCC(=O)NCC#N)CC1 1199484725 CRFLIEVJNCPASS-STQMWFEESA-N 308.382 -0.368 30 20 DBED COCC#CCNC[C@H]1CN(C(=O)[C@@H]2CCOC2)CCCO1 1200019009 CWOSVRAYOKXQGY-CABCVRRESA-N 310.394 -0.120 30 20 DBED COCC#CCNC1CCN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1 1201229654 FNRDODIUUDJRKK-GDBMZVCRSA-N 323.437 -0.064 30 20 DBED N#CCNC(=O)CN[C@@H]1C[C@@H](NC(=O)c2ccon2)C12CCC2 1202560561 DXYHCEWQUHHSBX-VXGBXAGGSA-N 317.349 -0.055 30 20 DBED Cc1c[nH]c(C(=O)N2CCC(NCC(=O)NCC#N)CC2)n1 1202855597 KVRUTWDRFZWMRG-UHFFFAOYSA-N 304.354 -0.448 30 20 DBED C#CCCNC1CCN(C(=O)COCc2ncnn2C)CC1 1203153919 VSFIONDJZXJRJO-UHFFFAOYSA-N 305.382 -0.064 30 20 DBED COCC#CCN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)C1(C(N)=O)CC1)C2 1204670541 ZMOOAIBWDZHYLF-MGPQQGTHSA-N 319.405 -0.129 30 20 DBED C#CCNC(=O)[C@H](C)NCC1CCN(C(=O)CCN(C)C)CC1 1206138064 FYCGIJRMBZQJTM-AWEZNQCLSA-N 322.453 -0.096 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1 1207750456 WAZFBKZUEZWEEB-ZDUSSCGKSA-N 313.361 -0.170 30 20 DBED C=CCN1C[C@@H](NC(=O)[C@H](CCC(N)=O)NC(C)=O)[C@H](C)C1 1209531204 YZVBJFMXAMHOFG-KGYLQXTDSA-N 310.398 -0.621 30 20 DBED N#CCNC(=O)CN[C@H]1CCCN(C(=O)C23CCN(CC2)C3)C1 1210674400 VAFLBZXEMAJFCF-ZDUSSCGKSA-N 319.409 -0.697 30 20 DBED C=CCOCCN1C[C@@H](NC(=O)CS(C)(=O)=O)[C@H](OC)C1 1211969877 CYOUUGRTRVHCIT-VXGBXAGGSA-N 320.411 -0.951 30 20 DBED C#CCCN1C[C@@H](NC(=O)COCc2ccnn2C)[C@H](OC)C1 1212455082 JZPOSYZGMAXUNA-HUUCEWRRSA-N 320.393 -0.225 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)C(C)(C)CS(C)(=O)=O 1213959547 PUJDDLWBBQNJKV-GHMZBOCLSA-N 317.411 -0.604 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)Cn2cnnc2O)C[C@H]1C 1214475815 RLXBORFZUKBYLS-VXGBXAGGSA-N 307.354 -0.930 30 20 DBED CO[C@H](C(=O)N1C[C@@H](NCC(=O)NCC#N)[C@H](C)C1)C(C)C 1215465432 NOZNXJHPZQRQEE-BZPMIXESSA-N 310.398 -0.266 30 20 DBED C=C(Cl)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)CCNC(N)=O 1219025054 SKITZNFJLRPRTQ-WDEREUQCSA-N 316.789 -0.291 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)C2CCC(O)CC2)C1 1219530979 MBIREYGJMOODFF-CVSAEHQPSA-N 310.394 -0.651 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)C23CCCN2CCC3)C1 1219944392 YSFGVKPCHLUUTQ-CABCVRRESA-N 323.437 -0.021 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@H]2CCN(Cc3ncnn3C)C[C@H]21 1221540993 IZQQSGCOHXJAGM-BFHYXJOUSA-N 317.393 -0.114 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)c2cn(C)nc2C)CC1 1226608297 CTCRVAHXRITSOO-UHFFFAOYSA-N 317.393 -0.328 30 20 DBED C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC(NC(=O)C(N)=O)CC1 1228912419 NYYMLJUDYDTQFB-GFCCVEGCSA-N 324.425 -0.135 30 20 DBED CC#CCN1CCC(NC(=O)[C@H](C)NS(C)(=O)=O)CC1 1229364097 UJRZTHIIGONGPD-NSHDSACASA-N 301.412 -0.472 30 20 DBED C[C@@H](C(=O)N(C)C[C@H]1CCN1CC(=O)NCC#N)n1cccn1 1230850275 ZYDHHVVSBRPLKC-QWHCGFSZSA-N 318.381 -0.383 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2cncc(F)c2)C1 1267007604 HLMASGMLBGBNHA-ZDUSSCGKSA-N 304.325 -0.226 30 20 DBED O=C(CNCC(F)(F)F)NCCN/C(O)=C1\N=CC=CC1=O 1318555275 PQHPPUGDGLGCEF-ZHACJKMWSA-N 320.271 -0.219 30 20 DBED C=C(C)CN1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 1320056408 WJZFHHBVYBIFQY-ZDUSSCGKSA-N 315.439 -0.517 30 20 DBED C=CCN(C)C(=O)C(=O)NC1CCN(CCC(=O)N(C)C)CC1 1322658724 MGBKCKMFEYVJOP-UHFFFAOYSA-N 324.425 -0.310 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCC2(CCN(C)C2=O)CC1 1323027708 SETJRAFDDUASSW-UHFFFAOYSA-N 321.377 -0.777 30 20 DBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@H](COC)OC 1324425869 XJYYARXWOHGCMO-XQQFMLRXSA-N 314.382 -0.139 30 20 DBED COc1cc(C#N)ccc1NC(=O)C(=O)NCc1nnn(C)n1 1324846112 UFWIGJFESLREAK-UHFFFAOYSA-N 315.293 -0.655 30 20 DBED CCn1ncn(NC(=O)CCN/C(O)=C2\N=CC=CC2=O)c1=O 1330504557 WUKDAUTYIMRKBU-VAWYXSNFSA-N 320.309 -0.949 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)nn1 1332170861 SDFSOLMIINFXFN-GFCCVEGCSA-N 319.365 -0.026 30 20 DBED CN(C(=O)C(=O)NCCNc1ncccc1C#N)C1CC(O)C1 1340477125 BKPAHWQRKHZPDA-UHFFFAOYSA-N 317.349 -0.537 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCC[C@H](c2ccnn2C)C1 1342445642 NPWYOMYIXNICLM-ZDUSSCGKSA-N 318.377 -0.108 30 20 DBED C=CCn1cc(CNC(=O)C(=O)NCc2cc(C)no2)nn1 1345688708 LXGSMIKWJKWJDL-UHFFFAOYSA-N 304.310 -0.307 30 20 DBED C#CCN1CCN(c2nnc(C(N)=O)n2C[C@@H]2CCOC2)CC1 1346609610 UQCQCRVBZJSVRG-LBPRGKRZSA-N 318.381 -0.831 30 20 DBED CC#CC[C@H](CO)NC(=O)C(=O)Nc1ccn(CCN(C)C)n1 1349156661 XECGQBLMHKMTGX-GFCCVEGCSA-N 321.381 -0.726 30 20 DBED C#CCNC(=O)CCN1C[C@@H]2C[C@H]1CN2CCC(=O)NCC#C 1349678194 YUXCHZWQPPKLKG-GJZGRUSLSA-N 316.405 -0.976 30 20 DBED CN(C[C@H]1COCCO1)C(=O)C(=O)Nc1ccc(C#N)cn1 1350204018 CYCIQEPWQQBYOD-NSHDSACASA-N 304.306 -0.234 30 20 DBED CC[C@](C)(NS(=O)(=O)N(CCC#N)CCOC)C(N)=O 1364116064 ICBMNYDNEWBIPZ-NSHDSACASA-N 306.388 -0.663 30 20 DBED CN1CCN(C(=O)CNC(=O)CNc2ccc(C#N)cn2)CC1 1364459750 OBCAJFAARPLJAA-UHFFFAOYSA-N 316.365 -0.745 30 20 DBED C[C@H]1COC[C@H]1NC(=O)NCCn1cc(C#N)c(O)nc1=O 1365263842 RYYYYOXPJILMNM-WCBMZHEXSA-N 307.310 -0.845 30 20 DBED CNC(=O)NCC(=O)N[C@@H](C)CNC(=O)c1ccc(C#N)[nH]1 1372847353 CSEPYKZUCZMAKP-QMMMGPOBSA-N 306.326 -0.950 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1cccc2nccn12 1376657471 UKOFKEAIULDJKR-MNOVXSKESA-N 315.333 -0.299 30 20 DBED CC(C)CNC(=O)CNC[C@@H](O)CNC(=O)c1cc(C#N)c[nH]1 1379179598 JXFXCDIFEQEDKG-GFCCVEGCSA-N 321.381 -0.661 30 20 DBED Cn1cc(C(=O)NC[C@H](O)CNCc2ccccc2C#N)nn1 1379195575 CMBCBCZTGZJDIC-CYBMUJFWSA-N 314.349 -0.433 30 20 DBED COCCN(CCNC(=O)[C@@H](C)C#N)C(=O)Cc1ccnn1C 1384407924 AINATLSZANNDKO-LBPRGKRZSA-N 321.381 -0.287 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)CCc2ncccn2)C1 1384826212 RIYOZWQMYWXHDP-TUAOUCFPSA-N 317.349 -0.743 30 20 DBED CC(C)S(=O)(=O)CC(=O)N[C@@H]1CCN(C(=O)[C@@H](C)C#N)C1 1385205419 DSXUMHIXSUPBQL-WDEREUQCSA-N 315.395 -0.314 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CCN(C(=O)CCN2CCOCC2)C1 1385614001 PISUBPJPXVDZQE-CHWSQXEVSA-N 308.382 -0.415 30 20 DBED CCN(C(=O)CCn1cnnn1)[C@@H]1CCN(C(=O)[C@H](C)C#N)C1 1387991845 JZMGYNISTUSMLV-VXGBXAGGSA-N 319.369 -0.328 30 20 DBED CCN1CCO[C@H](C(=O)N(CC)CCNC(=O)[C@@H](C)C#N)C1 1388408442 RIMCPLJZSBYZPJ-STQMWFEESA-N 310.398 -0.169 30 20 DBED C[C@@H](C#N)C(=O)N1CC(CNC(=O)CCn2cnccc2=O)C1 1398808795 AZYSVCSVFRCZJB-NSHDSACASA-N 317.349 -0.632 30 20 DBED CC[C@@H](CNC(=O)CCS(=O)(=O)NC)NC(=O)[C@H](C)C#N 1409265732 BQROCECFZDNMMD-ZJUUUORDSA-N 318.399 -0.904 30 20 DBED C[C@@H](CNC(=O)c1ccnc2c1nnn2C)NC(=O)[C@@H](C)C#N 1415262198 NQJFGBWXXHGTOR-IUCAKERBSA-N 315.337 -0.243 30 20 DBED CCc1cc(NC(=O)Cn2cc(C#N)c(O)nc2=O)nn1C 1418116606 ZTMNRAADNLWLDV-UHFFFAOYSA-N 302.294 -0.245 30 20 DBED C=C(Cl)CN[C@H](CC)CNC(=O)[C@@H]1CC(=O)NC(=O)N1 1419255825 WYOQWQKODPPGEJ-BDAKNGLRSA-N 302.762 -0.179 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](C1CC1)N(C)C(=O)c1cnnn1C 1424899375 AMMBZGCKRNLDDS-ONGXEEELSA-N 304.354 -0.058 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)CCCn3cncn3)[C@H]2C1 1430389964 PORVJLFPGIBURR-CIQGVGRVSA-N 316.365 -0.209 30 20 DBED COC(=O)C1(C#N)CCN(C(=O)NCCN2CCNC2=O)CC1 1434839360 XQYXGMSWLANJNN-UHFFFAOYSA-N 323.353 -0.500 30 20 DBED C[C@@H](C#N)C(=O)N1CC([C@H](C)NC(=O)CN2CCCC2=O)C1 1443168262 SIYPPJGEBBDGPA-QWRGUYRKSA-N 306.366 -0.268 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1 1454884295 OAETTWYLNUZEMU-ZJUUUORDSA-N 303.322 -0.492 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N1C[C@@H](CO)[C@H](CO)C1 1464150712 HMBRWLCNPGUMMF-SRVKXCTJSA-N 305.400 -0.755 30 20 DBED C[C@@H]1C[C@@H](NC(=O)CCn2cc(C#N)c(O)nc2=O)CCN1C 1465559824 KKKCZSSOZVWVNW-PWSUYJOCSA-N 319.365 -0.190 30 20 DBED CC[C@@H](NC(=O)Cn1cc(C#N)c(O)nc1=O)[C@H]1CCCO1 1466614873 QIHYXJCOYRHHBS-GHMZBOCLSA-N 306.322 -0.106 30 20 DBED CCN1CC[C@H](N2CCN(CCNC(=O)[C@@H](C)C#N)CC2)C1=O 1479928429 MSBFMVGOEAVAFN-KBPBESRZSA-N 321.425 -0.499 30 20 DBED CCOc1cnc(C(=O)NC[C@@H](O)CNC(=O)[C@@H](C)C#N)cn1 1533291527 RCHNFAUOWLGNBF-UWVGGRQHSA-N 321.337 -0.758 30 20 DBED N#Cc1nc(NCCN2CCCOCC2)cnc1-c1nn[nH]n1 1581880357 HOHWZJSLXZGBPO-UHFFFAOYSA-N 315.341 -0.337 30 20 DBED C#CC[C@H](NC(=O)[C@H]1CCC(=O)N(c2cnn(C)c2)C1)C(=O)O 1588405538 HFZGTJZWRZPXIM-JQWIXIFHSA-N 318.333 -0.244 30 20 DBED C=CCC[C@@H](CO)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cn1 1588578614 CCLJUMDNBDCMCZ-JTQLQIEISA-N 324.366 -0.133 30 20 DBED N#C[C@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)Nn1ccnn1 1592669020 OLPJZQHAOVDTAF-NSHDSACASA-N 309.293 -0.089 30 20 DBED C[C@@H](CS(C)(=O)=O)NC(=O)N1CCC(C#N)(C(=O)O)CC1 1592816735 ZGQSLEUFCNRJMM-VIFPVBQESA-N 317.367 -0.181 30 20 DBED C[C@]1(C#N)CCCN(C(=O)C(=O)N2C[C@@H](O)C[C@@H](C(=O)O)C2)C1 1593740801 VTOVMRLJOVGTBP-JRPNMDOOSA-N 323.349 -0.567 30 20 DBED N#Cc1ccccc1OC[C@@H](O)CN1C[C@H](O)C[C@H]1C(=O)O 1601126987 ZBZZQPZOZYYSSV-AGIUHOORSA-N 306.318 -0.182 30 20 DBED Cc1ccc(S(N)(=O)=O)c(C(=O)N(CC#N)CC(=O)O)c1 1610514353 KRUDHOAWGVIKTJ-UHFFFAOYSA-N 311.319 -0.307 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H](C)CNC(=O)CCc1cnccn1 1752911920 WTWVADXFCIVNJL-QWHCGFSZSA-N 317.393 -0.359 30 20 DBED Cn1cc(C(=O)N[C@@H]2CCC[C@H](NCC(=O)NCC#N)C2)cn1 1752961865 JCBLQLHPAZBBQJ-QWHCGFSZSA-N 318.381 -0.310 30 20 DBED C=CCNC(=O)NC(=O)CN1CCC[C@@H]1CNC(=O)[C@H](C)C#N 1753097268 MSROQHDBWWEHNC-VXGBXAGGSA-N 321.381 -0.262 30 20 DBED Cc1cn(C)nc1C(=O)NC[C@H]1CCN(CC(=O)NCC#N)C1 1753125766 VSEKIVTXLMDPDG-GFCCVEGCSA-N 318.381 -0.580 30 20 DBED C#CCNC(=O)CNCCN(C)C(=O)C(C)(C)c1cnc[nH]1 1753252255 QFKHNVJOCANWKL-UHFFFAOYSA-N 305.382 -0.515 30 20 DBED C#CCNC[C@@H](O)CNC(=O)C[C@@H](C)NC(=O)C1CCCC1 1753950064 YXIZLKLVWVRFBV-TZMCWYRMSA-N 309.410 -0.229 30 20 DBED COCC#CCN1CC(O)(CNC(=O)CN(C)C2CCC2)C1 1754768825 CBRPTBZCILQQBX-UHFFFAOYSA-N 309.410 -0.717 30 20 DBED C#Cc1ccc(C(=O)NCC2(O)CN([C@@H](CC)C(N)=O)C2)nc1 1754778198 RBVXPWVWFZLCTM-ZDUSSCGKSA-N 316.361 -0.897 30 20 DBED CC#CCN[C@@H](C)[C@@H]1CCN(C(=O)CN2C(=O)CCC2=O)C1 1754808280 ZWKINJOTIMRYEC-QWHCGFSZSA-N 305.378 -0.015 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C)C#N 1754864581 XRYGYQLCGDGJPJ-HZSPNIEDSA-N 302.378 -0.039 30 20 DBED C#CCCN[C@H]1CN(C(=O)CS(=O)(=O)N(C)C)C[C@@H]1C 1755121690 DJDCCWSPRUFFEC-RYUDHWBXSA-N 301.412 -0.662 30 20 DBED C=CCOCC(=O)NC[C@@H](CO)NC(=O)C1=C(C)OCCC1 1756519179 SJJYTMBSWZNDGN-LBPRGKRZSA-N 312.366 -0.133 30 20 DBED C=CCOCC(=O)N[C@@H]1CCCN(C(=O)Cn2ncnn2)[C@H]1C 1756621696 KMBPCPZQTLVANM-NWDGAFQWSA-N 322.369 -0.629 30 20 DBED C#CCOCCC(=O)NC[C@@H](O)CN(C)C(=O)c1ccoc1 1756648863 APGPFDBSPYEVNR-CYBMUJFWSA-N 308.334 -0.131 30 20 DBED C=CCOCC(=O)NCC1=CCN(C(=O)CC(=O)N(C)C)CC1 1756763469 PPCNELQPFXWWOB-UHFFFAOYSA-N 323.393 -0.058 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)c2nc[nH]n2)CCCO1 1756841472 QIENGIPYXXGIQM-LBPRGKRZSA-N 319.365 -0.189 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CC[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1 1757348036 RNEHJKNGFUBSIR-YNEHKIRRSA-N 320.393 -0.272 30 20 DBED O=C1C[C@@H](C(=O)N=C2NS(=O)(=O)c3ccccc32)CCN1 1771621368 LHLKVYAKBYGBIT-QMMMGPOBSA-N 307.331 -0.222 30 20 DBED C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CCNC1=N 1796025882 GKMDQILVFLMCAW-ZSBIGDGJSA-N 303.366 -0.902 30 20 DBED C=CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cn1cnnn1)C2 1802312415 SRVUYFAIRSEMQS-ZSBIGDGJSA-N 304.354 -0.113 30 20 DBED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(F)CCC1)CCO2 1840622344 HHOLGNZDFANMNT-OAHLLOKOSA-N 324.352 -0.032 30 20 DBED O=C1NC[C@@H](C(=O)N2CCCC23CN(C(=O)C#CC2CC2)C3)O1 1841648077 MZTKTTBEJHYLBU-LBPRGKRZSA-N 317.345 -0.288 30 20 DBED C=C(C)CNC(=S)NCCN1CCN(S(C)(=O)=O)CC1 66009257 MMPQFBRJNXCZFG-UHFFFAOYSA-N 320.484 -0.396 30 20 DBED C[C@H]1CN(c2nccnc2C#N)CCN1CCNS(C)(=O)=O 155617984 UICLHWRPKOMNMQ-NSHDSACASA-N 324.410 -0.592 30 20 DBED C#Cc1cccc(NC(=O)CNC(=O)Cn2ncn(C)c2=O)c1 179440553 MJEDVJDEQJIURR-UHFFFAOYSA-N 313.317 -0.682 30 20 DBED C=CCNC(=O)CNC(=O)Cc1c(C)nc2cc(=O)[nH]n2c1C 181643581 GSGQRPDUJCTOIF-UHFFFAOYSA-N 317.349 -0.400 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(CCC)[C@@H]2CCNC2)C1=O 262601001 XMEHKLGCWXIFHO-LLVKDONJSA-N 322.365 -0.436 30 20 DBED N#Cc1ccc(S(=O)(=O)NCCN2C(=O)CCC2=O)cn1 265010811 FNSOUYBXVZYXNK-UHFFFAOYSA-N 308.319 -0.619 30 20 DBED C=C(C)CN1CCC(NC(=O)NCCN2C(=O)CNC2=O)CC1 265096097 VOPIYKXBCDKAJN-UHFFFAOYSA-N 323.397 -0.122 30 20 DBED Cc1cc(C#N)ccc1S(=O)(=O)NN1CC(=O)N(C)C1=O 274490842 SLCZSLBGQIUVAF-UHFFFAOYSA-N 308.319 -0.046 30 20 DBED C#CCO[C@@H](C)C(=O)NCCCn1nc2n(c1=O)CCCC2 294405825 JNZUIYXEYXNVPQ-LBPRGKRZSA-N 306.366 -0.074 30 20 DBED CS(=O)(=O)N1CCC[C@H](N/C(O)=N/C[C@@]2(O)CCOC2)C1 328838843 NOYRDQZMECLCCA-JQWIXIFHSA-N 321.399 -0.935 30 20 DBED O=S1(=O)C[C@@H](N2CCOCC2)[C@@H](/N=C(/O)c2cn[nH]c2)C1 329169004 IZDXMVFGHDUUGR-WDEREUQCSA-N 314.367 -0.788 30 20 DBED N#Cc1ccc(NCC(=O)N2CCN3C(=O)N=C(O)[C@H]3C2)nc1 329416527 FTCPBNSBFKWLIS-SNVBAGLBSA-N 314.305 -0.032 30 20 DBED CC/N=C(/O)CN1CCCN(S(=O)(=O)C2COC2)CC1 329967666 WIGQLPMPPFVGEE-UHFFFAOYSA-N 305.400 -0.301 30 20 DBED Cc1ncc(S(=O)(=O)N2C[C@@H]3OCCN(C)[C@@H]3C2)cc1C#N 330197670 SDDNYZOBNMDUHF-KGLIPLIRSA-N 322.390 -0.035 30 20 DBED COCCN1CC[C@H](/N=C(/O)N2CC[C@H](S(C)(=O)=O)C2)C1 330395528 AKZSPXVNDWCSQP-RYUDHWBXSA-N 319.427 -0.260 30 20 DBED Cc1onc(CC(=O)N(C)C[C@@H](O)CN2CCOCC2)c1C#N 332557671 OHHOFNPQPHNCQY-GFCCVEGCSA-N 322.365 -0.451 30 20 DBED CO[C@@H]1CCC[C@H]1CNS(=O)(=O)N1CCO[C@H](C#N)C1 336948122 QDZUDAGMTAEGFE-QJPTWQEYSA-N 303.384 -0.140 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCS(=O)(=O)CC1 337099738 USVBRCCYSIDGCS-SNVBAGLBSA-N 309.413 -0.557 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N(C)CC(=O)NCCCOC 337377782 WKXORQNQZQIDIS-LLVKDONJSA-N 314.386 -0.529 30 20 DBED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CO)CC1 342386500 UJRMYSQRWCTKHC-UHFFFAOYSA-N 309.347 -0.617 30 20 DBED CN(C)c1nccc(CNc2c(C#N)c(=O)n(C)c(=O)n2C)n1 342787936 OGTDWMYNJPGXEF-UHFFFAOYSA-N 315.337 -0.576 30 20 DBED CCS(=O)(=O)NCC(=O)NC[C@H]1CCCN(CC#N)C1 343647926 VTPOIYOFKZHSRH-LLVKDONJSA-N 302.400 -0.723 30 20 DBED CCOC(=O)[C@H](CO)NS(=O)(=O)c1ccc(F)cc1C#N 351958007 LOKZTGMWESXNOS-JTQLQIEISA-N 316.310 -0.100 30 20 DBED Cc1cc(NC(=O)C(=O)N2C[C@@H](CO)[C@@H](C)C2)nn1CCC#N 362004535 ZCXSXQSGYDTPPD-JQWIXIFHSA-N 319.365 0.131 30 20 DBED COC(=O)[C@H]1CN(C)CCN(S(=O)(=O)N(C)CCC#N)C1 416575106 AGQFFBVCMZLCCD-NSHDSACASA-N 318.399 -0.887 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@](C)(O)C(C)C)C1=O 440209090 UJUCPBQEEGHTBV-CQSZACIVSA-N 311.338 -0.514 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](CC)[C@H](O)CC)C1=O 456582635 GLBWZRHZXNRWBY-NXEZZACHSA-N 311.338 -0.371 30 20 DBED C=CCNC(=O)NC(=O)CN(C)Cc1ncnn1CC(F)F 490183306 YRRWLFQKOZDMBU-UHFFFAOYSA-N 316.312 -0.013 30 20 DBED C#CCNC(=O)CN1CCN(Cc2cccc(C(N)=O)c2)CC1 491166182 PROCJHHDBHEWNG-UHFFFAOYSA-N 314.389 -0.348 30 20 DBED CN(C)CCN(C)CCCN(C)C(=O)Cn1cnc(C#N)n1 494844738 JNWGYPYXCUAOLA-UHFFFAOYSA-N 307.402 -0.508 30 20 DBED COc1cc(C#N)ccc1OCC(=O)N[C@@H]1CC(=O)N(C)C1=O 550154773 AQZPBZGDNQFNMM-SNVBAGLBSA-N 317.301 -0.181 30 20 DBED N#CCNC(=O)CNS(=O)(=O)c1cccc2nsnc12 560477075 NTMGESYEEJXIKG-UHFFFAOYSA-N 311.348 -0.391 30 20 DBED CC[C@@H]1CN(C(=O)C(=O)NC2CCN(CC#N)CC2)CCO1 588124774 KAEQGZFUTMJDSP-CYBMUJFWSA-N 308.382 -0.272 30 20 DBED COC(=O)[C@@H]1CN(CC(=O)N(CCC#N)CCC#N)C[C@H](C)O1 593082013 WNPNXANHOVZRIB-STQMWFEESA-N 322.365 -0.095 30 20 DBED COC(=O)c1cc(C#N)c(=O)n([C@@H]2CCN(CC(=O)O)C2=O)c1 596011608 FJJQJXAGYGRNHU-SNVBAGLBSA-N 319.273 -0.635 30 20 DBED CO[C@H]1CCCN(S(=O)(=O)N2CCO[C@H](C#N)C2)CC1 619713015 LFTRQKIWWOPWDO-NWDGAFQWSA-N 303.384 -0.044 30 20 DBED COCC#CCN1CCN([C@H](C)C(=O)NCCCOC)CC1 677818838 WWQWATVWJAWYSP-OAHLLOKOSA-N 311.426 -0.205 30 20 DBED C=CCOCC(=O)O[C@@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 729765440 JYKPKFQYFDMLGK-QWRGUYRKSA-N 319.379 -0.234 30 20 DBED C#CCOc1cccc(NC(=O)C(=O)NC[C@H](O)CN(C)C)c1 731123065 CIGLMHDOECNUEN-ZDUSSCGKSA-N 319.361 -0.324 30 20 DBED COc1cc(C)nc(NN=Cc2c(N)n(C)c(=O)n(C)c2=O)n1 749813757 BIYOTIAUVYXLQF-UHFFFAOYSA-N 319.325 -0.781 30 20 DBED C#CCNS(=O)(=O)N1CCN(CCOC(C)(C)C)CC1 761031869 DKHGSWITPSUESZ-UHFFFAOYSA-N 303.428 -0.113 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N(C[C@H](C)O)[C@@H](C)CO 785890555 YXAAAHXRHGQSGH-QWRGUYRKSA-N 308.400 -0.640 30 20 DBED N#Cc1ccncc1C(=O)OCC(=O)N1CCCC[C@H]1C(N)=O 805717702 UDFUCZFQUGNLMN-LBPRGKRZSA-N 316.317 -0.024 30 20 DBED C=CCNC(=O)Cn1ncc(C(=O)OCC)c1-c1nn[nH]n1 823926041 XAHOGGBKAAERTC-UHFFFAOYSA-N 305.298 -0.458 30 20 DBED C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)C[C@H](C)C(=O)O 825608816 LRJGFOWYNVXJHI-UWVGGRQHSA-N 323.392 -0.841 30 20 DBED CC(C)[C@H](N)CNC(=O)C(=O)NCCNc1ncccc1C#N 842174774 KHPQVJKDFWYIPX-GFCCVEGCSA-N 318.381 -0.419 30 20 DBED CC(C)NS(=O)(=O)N1CCN(C(=O)NCCC#N)CC1 854025514 OOPCHHLDWYWYOX-UHFFFAOYSA-N 303.388 -0.530 30 20 DBED C#CC[C@@H](CO)NC(=O)CC(C)CC(=O)N[C@H](CO)CC#C 854541108 CMTPYCNMGVWKEO-KBPBESRZSA-N 308.378 -0.597 30 20 DBED C#CC[C@@H](CO)NC(=O)C(C)(C)CCC(=O)N[C@@H](CO)CC#C 854545117 AMNIQWOUHQQAJG-KGLIPLIRSA-N 322.405 -0.206 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)COCC(F)F)CC1 859180440 XDAKWGWXCRMFEL-UHFFFAOYSA-N 303.309 -0.838 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@@H](NC(=O)[C@H]3CCC(=O)N3)C2)c1 939719425 XFRDOKTYZMJNMV-GHMZBOCLSA-N 315.333 -0.504 30 20 DBED N#CCN1C[C@H]2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)CC[C@H]2C1 946625800 GMWNMUGFYRDBEB-TUAOUCFPSA-N 319.365 -0.722 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@@H]2CCN2C(=O)[C@H]2C[C@H]2C(N)=O)c1 949294197 YGTOLCOOLKSQNT-AXFHLTTASA-N 315.333 -0.662 30 20 DBED C#Cc1ccc(C(=O)N(C)C2CN(C(=O)c3cnn[nH]3)C2)nc1 954915925 AOHHTJBVMCNFAT-UHFFFAOYSA-N 310.317 -0.222 30 20 DBED CN(C(=O)[C@H]1C[C@H]1C(N)=O)C1CN(C(=O)c2c[nH]c(C#N)c2)C1 955347370 QTMCHBVCTUGNON-NEPJUHHUSA-N 315.333 -0.709 30 20 DBED C=C(C)CCN1C[C@H]2C(NC(=O)CN3CCNC(=O)C3)[C@@H]2C1 961479186 LTPSLOSUQAPQSO-CHWSQXEVSA-N 306.410 -0.569 30 20 DBED CC#CCN1C[C@@H]2C(NC(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)[C@H]2C1 961746387 QHRMYTUZOGITNB-FQUUOJAGSA-N 319.405 -0.308 30 20 DBED CC(=O)N1CC(N2CCN(C(=O)c3c[nH]c(C#N)c3)CC2)C1 967204293 FKLAQEUFWZQHAI-UHFFFAOYSA-N 301.350 -0.125 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C2CN(C(=O)[C@@H]3CCCO3)C2)CC1 967246323 YOJFFDCAFFNPMS-OCCSQVGLSA-N 320.393 -0.320 30 20 DBED N#Cc1ccc(CN[C@@H]2CCN(C(=O)[C@H]3CNC(=O)N3)C2)cc1 969766472 NXLCEIBVKDDNHU-ZIAGYGMSSA-N 313.361 -0.070 30 20 DBED Cn1ccc(=O)c(C(=O)N2CC[C@]3(CN(CC#N)CCO3)C2)c1 972459537 WYFFDDSZQTXRMI-INIZCTEOSA-N 316.361 -0.174 30 20 DBED Cn1cc(C(=O)N2CC[C@]3(CN(CC#N)CCO3)C2)nc1O 972532115 OUTYYMCYLGIFNY-AWEZNQCLSA-N 305.338 -0.434 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)Cc2nc[nH]n2)C1 973551494 XWZQJZMPQXETBJ-KKOKHZNYSA-N 319.365 -0.298 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)c3cc[n+]([O-])cc3)[C@H]2C1 976110928 PQBJBTVVQVOOJX-FTYKPCCVSA-N 300.318 -0.334 30 20 DBED Cc1nc2nccc(C(=O)NCC3[C@@H]4CN(CC#N)C[C@@H]34)n2n1 978941082 OZKNKOIMISKUDI-RYUDHWBXSA-N 311.349 -0.136 30 20 DBED O=C1CC[C@@H](C(=O)NC[C@@H]2CCN(C(=O)C#CC3CC3)C2)N1 982738068 CCWKMMRPYMOFHA-STQMWFEESA-N 303.362 -0.357 30 20 DBED C#CCN1CCCN(C(=O)c2nc(O)nc(O)c2OC)CC1 989472857 ODJMYJYGDJWPGU-UHFFFAOYSA-N 306.322 -0.323 30 20 DBED O=C(N[C@@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1O)c1cc[nH]n1 991310086 PYAHNOHUODWVCE-YPMHNXCESA-N 302.334 -0.485 30 20 DBED N#CCN1CC[C@]2(NC(=O)C3CC(=O)NC(=O)C3)CCC[C@@H]12 992333461 WHQRWLRYXHVWPA-IAQYHMDHSA-N 304.350 -0.324 30 20 DBED C=C[C@](C)(CC)C(=O)N1CC(NC(=O)[C@@H]2CN(C)C(=O)N2)C1 997448154 NQPWSYOKLLOGRP-XHDPSFHLSA-N 308.382 -0.061 30 20 DBED C=C(C)CNC1CC(N(C)C(=O)CN2CCN(C)C(=O)C2)C1 999009535 GSPUAVSQKPQBFW-UHFFFAOYSA-N 308.426 -0.085 30 20 DBED CC1(C)CN(C(=O)C#CC2CC2)C[C@@H]1NC(=O)[C@H]1COC(=O)N1 1008100175 MZIFINWUNIJRCF-NEPJUHHUSA-N 319.361 -0.139 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCCN(C(=O)[C@@H]3CCNC3=O)C2)C1 1010837406 QMQJXPVUSGJXNU-NWDGAFQWSA-N 318.377 -0.267 30 20 DBED C[C@H]1[C@H](NC(=O)Cn2cncn2)CCN1C(=O)C#CC1CC1 1011742492 OPRSFFKQBYEQJG-WCQYABFASA-N 301.350 -0.203 30 20 DBED CC#CCN1[C@H]2CC[C@H]1CC(NC(=O)Cn1c(O)nnc1O)C2 1021447440 MIECHZDLNQWDLB-RYUDHWBXSA-N 319.365 -0.176 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CN(C(=O)c3cn[nH]c3)C[C@H]2O)c[nH]1 1023455345 UZVAYJGVNPBLAM-VXGBXAGGSA-N 314.305 -0.775 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnnn2C)C1 1023560211 BMYQDXUGWKEION-MWLCHTKSSA-N 307.354 -0.671 30 20 DBED C#CCN[C@@H]1CC[C@@H]2CN(C(=O)CCn3ncn(C)c3=O)C[C@H]21 1026314516 CNOZZIVNQKCWEH-MGPQQGTHSA-N 317.393 -0.568 30 20 DBED N#CCN1CC[C@@H](CNC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 1028707589 UFTUBWJFEIEYHZ-JQWIXIFHSA-N 302.338 -0.673 30 20 DBED C=CCN1CC[C@H](N2CC(CNC(=O)c3ccn(C)n3)C2)C1=O 1032185191 YBBMIMWDJAJFQN-AWEZNQCLSA-N 317.393 -0.131 30 20 DBED C#CCCN1CCO[C@H](CNC(=O)c2ccnc(OC)n2)C1 1035438854 QKZBRAAGAKMTEE-GFCCVEGCSA-N 304.350 -0.061 30 20 DBED C#CCN1CCO[C@H](CNC(=O)c2ccc3nnc(O)n3c2)C1 1035548106 XIKZAZTWKLPSKK-GFCCVEGCSA-N 315.333 -0.501 30 20 DBED CC(=O)N1CCC(C(=O)NC[C@@H]2CN(CC#N)CCO2)CC1 1035600990 UUXBRZFGNMSMFP-CQSZACIVSA-N 308.382 -0.415 30 20 DBED C[C@H]1CN(C(=O)C#CC2CC2)CC[C@@H]1NCc1nnnn1C 1036032311 XQKSYPFRUSQWCK-AAEUAGOBSA-N 302.382 -0.050 30 20 DBED Cn1cnn(CC(=O)N2CC[C@@H]3[C@H](CCN3CC#N)C2)c1=O 1036753638 TZEIQSDSQTVZHO-VXGBXAGGSA-N 304.354 -0.972 30 20 DBED C[C@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)CCc2cn[nH]c2)C1 1040761348 CLAZVZIPNYCMGD-IAQYHMDHSA-N 319.365 -0.418 30 20 DBED Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)nn1 1040957308 WIZDBPKQNOQSKT-CHWSQXEVSA-N 312.333 -0.036 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)[C@H](C)NC(C)=O)C1 1041339289 SYBYEUNLPJFYLY-JTQLQIEISA-N 311.382 -0.587 30 20 DBED C#CCN1CC[C@@]2(CCN(C(=O)C3CC(=O)NC(=O)C3)C2)C1 1041739717 ISSLYYUFBUWBBE-MRXNPFEDSA-N 303.362 -0.403 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)[C@H]2CC(=O)N(C)C2)C1 1041969115 DUKUHKQVSXJFBF-NSHDSACASA-N 309.366 -0.880 30 20 DBED C=CCCCC(=O)N1CC(O)(CNC(=O)[C@H]2CCNC(=O)C2)C1 1042522071 OMNVQNJSYUDDNT-LBPRGKRZSA-N 323.393 -0.442 30 20 DBED Cc1c(C(=O)N2CC(O)(CNC(=O)C#CC(C)C)C2)cnn1C 1042936965 VSCYKIXDIAFZLX-UHFFFAOYSA-N 318.377 -0.309 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)C[C@@H](C)OC)C1 1043032790 ICUMONCAVMITES-GFCCVEGCSA-N 312.366 -0.859 30 20 DBED C=C(C)CCC(=O)NCC1(O)CN(C(=O)C2(C(N)=O)CC2)C1 1043311638 XFCCKIISHYZSMN-UHFFFAOYSA-N 309.366 -0.702 30 20 DBED C=CCCOCC(=O)NCC1(O)CN(C(=O)c2[nH]nnc2C)C1 1043569611 ZHPBEXDCWBCEFQ-UHFFFAOYSA-N 323.353 -0.991 30 20 DBED C=CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2cnc(C)[nH]2)C1 1043572802 ZLCGCKNPPNRGNJ-JTQLQIEISA-N 322.365 -0.388 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)C(C)(C)NC(C)=O)C1 1043896830 SUYIEDFVNJRYPD-UHFFFAOYSA-N 311.382 -0.443 30 20 DBED C#CCN[C@H]1CCN(C(=O)CN2C(=O)NC(=O)C2(C)C)[C@H](C)C1 1044809150 OFVHTBOKBKMBDS-NEPJUHHUSA-N 320.393 -0.081 30 20 DBED C#CCN[C@H]1CCN(C(=O)Cn2nc(C)n(C)c2=O)[C@@H](C)C1 1044835965 HZJSGCSPIOWCCB-AAEUAGOBSA-N 305.382 -0.507 30 20 DBED C=CCCC1(C(=O)NCC2(O)CN(C(=O)CNC(N)=O)C2)CC1 1045772736 MUHDOANBJYOQQV-UHFFFAOYSA-N 324.381 -0.909 30 20 DBED C=C1CC(C)(C(=O)NCC2(O)CN(C(=O)CC(=O)NC)C2)C1 1046306292 FBPDDPXFVHLYGI-UHFFFAOYSA-N 309.366 -0.832 30 20 DBED N#Cc1ccc(N[C@H]2C[C@@H](CNC(=O)[C@@H]3COC(=O)N3)C2)nn1 1046369735 MLRMVWSXQXIOHC-GDPRMGEGSA-N 316.321 -0.237 30 20 DBED N#Cc1cncc(N[C@H]2C[C@@H](CNC(=O)[C@@H]3CNC(=O)N3)C2)n1 1046562179 KXVGNZSQGZGOOZ-NGZCFLSTSA-N 315.337 -0.664 30 20 DBED Cc1nn(CC(=O)N[C@H]2C[C@H]3C[C@@H](C2)N(CC#N)C3)c(=O)n1C 1047190736 XWUOFEBUCZBNBZ-AVGNSLFASA-N 318.381 -0.617 30 20 DBED C=CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 1047428208 DOFUOHGSNXCEQO-CBBWQLFWSA-N 311.426 -0.215 30 20 DBED C#CCN1C[C@H]2CN(C(=O)[C@@H]3CCCS(=O)(=O)C3)C[C@H]2C1 1049092800 MZSFSROBMFZWQN-MCIONIFRSA-N 310.419 -0.165 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cnon2)C1 1049288741 LQJIGJJJLYZRAS-RYUDHWBXSA-N 306.322 -0.483 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)C2CCN(C)CC2)C[C@@H]1O 1049394793 NFYHLEUACXLSHT-UBHSHLNASA-N 322.409 -0.482 30 20 DBED C#CCN1CCC[C@H](NC(=O)[C@@H]2COCCN2C(C)=O)CC1 1052947367 OKWWPUCSIVCOMB-GJZGRUSLSA-N 307.394 -0.162 30 20 DBED CN1CC[C@H](C(=O)N2CCOC3(CN(CC#N)C3)C2)CC1=O 1053314209 NXHNAOJXNUKKOW-LBPRGKRZSA-N 306.366 -0.708 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)c1cc(OC)n(C)n1)CCO2 1053335759 LHGSMFMJSDOMRO-UHFFFAOYSA-N 318.377 -0.021 30 20 DBED C#CCN1CC2(CC[C@H](CNC(=O)C3CC(=O)NC(=O)C3)O2)C1 1053677844 BWYLNRJMJCWHHR-GFCCVEGCSA-N 319.361 -0.978 30 20 DBED C#CCN1CC2(CC[C@H](CNC(=O)[C@@H]3CCCC(=O)N3C)O2)C1 1053693717 IPNNHISIMIIMTN-KGLIPLIRSA-N 319.405 -0.020 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)c3ccc(N(C)C)nn3)CO2)C1 1053985059 KKMPRTSOMQSVQT-LBPRGKRZSA-N 315.377 -0.251 30 20 DBED N#CCN1CC[C@@]2(CCCN(C(=O)c3nnc(O)nc3O)C2)C1 1054160111 VZCGHFWJKMWZOC-AWEZNQCLSA-N 318.337 -0.266 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3C)C[C@H]2C1 1055138782 NVJCJXMGYGELKF-YIYPIFLZSA-N 317.389 -0.301 30 20 DBED C[C@H](C#N)C(=O)N[C@@]1(CO)CCCN(C(=O)c2cnn(C)c2)C1 1056092762 CUDXWEGVPLWFQC-ABAIWWIYSA-N 319.365 -0.337 30 20 DBED N#Cc1ccc(N[C@@H]2CCN(C(=O)C3(C(N)=O)CC3)C2)nn1 1056759871 ZITKBOSQANNAHU-SNVBAGLBSA-N 300.322 -0.373 30 20 DBED C#CCOCCC(=O)NCCN(CCO)C(=O)c1ccncc1 1056797255 YQEFJVFSZQEFKH-UHFFFAOYSA-N 319.361 -0.328 30 20 DBED C#CCNC(=O)CC(=O)NCCN(CCO)C(=O)CC(C)C 1056822293 GNZQLSBJUPEFPK-UHFFFAOYSA-N 311.382 -0.891 30 20 DBED N#Cc1ccc(N2CCCN(C(=O)Cn3cnnn3)CC2)nn1 1057093156 RRYGPGGRAGYBSJ-UHFFFAOYSA-N 313.325 -0.926 30 20 DBED C=CCCOCC(=O)NCCN(CCO)C(=O)[C@H]1CCOC1 1057147518 LHZUVRXNEQCBRH-ZDUSSCGKSA-N 314.382 -0.447 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)C1CC(OC)C1 1057196872 ZLZJOBSZZIVAOK-UHFFFAOYSA-N 314.382 -0.449 30 20 DBED C=C[C@](C)(O)CC(=O)N(CCO)CCNC(=O)[C@H](CC)OC 1057450638 VTJFLQPPSNJKOH-WFASDCNBSA-N 316.398 -0.324 30 20 DBED CC(=O)NC(C)(C)C(=O)N(CCO)CCNC(=O)C#CC1CC1 1058100786 ZJXSXCJSORIWDK-UHFFFAOYSA-N 323.393 -0.748 30 20 DBED N#Cc1ccc(N2CCC[C@@H](NC(=O)[C@@H]3COCCO3)C2)nn1 1058120909 ZFKMGHZGOQMISF-OLZOCXBDSA-N 317.349 -0.151 30 20 DBED N#Cc1nccnc1N1CC[C@H](NC(=O)c2cnnc(O)c2)C1 1058473385 WHIASJHKNUTEMP-JTQLQIEISA-N 311.305 -0.147 30 20 DBED Cc1ccc(C#N)c(N2CC[C@@H](NC(=O)[C@@H]3CNC(=O)N3)C2)n1 1058531487 QPMUCMDFCFSDIS-NEPJUHHUSA-N 314.349 -0.362 30 20 DBED Cc1ccnc(C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N)n1 1058653371 TYTXZOHLQNGYRB-JTQLQIEISA-N 305.338 -0.505 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1058654771 HTMYPHPMRUJPDR-PRFQISJJSA-N 321.377 -0.493 30 20 DBED Cn1cc(C(=O)N(CCO)CCNC(=O)C#CC2CC2)nc1O 1058715041 VXENNXIEAHREEA-UHFFFAOYSA-N 320.349 -0.910 30 20 DBED N#Cc1ccc(N2CC[C@H]3[C@H](CCCN3C(=O)C(N)=O)C2)nn1 1059540286 NJFGVMYPAJAQNS-PWSUYJOCSA-N 314.349 -0.349 30 20 DBED N#Cc1nc(=N[C@H]2C[C@@H](NC(=O)[C@H]3CCC(=O)NC3)C2)cc[nH]1 1059878691 FCHMHPNSXLLIRT-GARJFASQSA-N 314.349 -0.645 30 20 DBED N#Cc1cncc(N2[C@H]3CC[C@H]2CN(C(=O)c2cnn[nH]2)C3)n1 1062054991 VPKKJOAVSJJBAS-QWRGUYRKSA-N 310.321 -0.040 30 20 DBED C=CCOCC(=O)NCC1(NC(=O)[C@@H]2CN(C)C(=O)N2)CCC1 1062704449 LNRULEOWFJIWBE-NSHDSACASA-N 324.381 -0.632 30 20 DBED C=CCO[C@@H](C)C(=O)NC1(CNC(=O)Cn2ncnn2)CCC1 1063148773 RVBSGZLWZNUUNL-NSHDSACASA-N 322.369 -0.581 30 20 DBED N#Cc1cnccc1N1C[C@H]2C[C@H]1[C@H]2NC(=O)Cn1cncn1 1064257260 VJXFHJAHBOYRCS-DGFSRKRXSA-N 309.333 -0.062 30 20 DBED N#Cc1ccc(N2CC[C@@H]3CCN(C(=O)C(N)=O)C[C@H]32)nn1 1064699182 OWDCCDWFPRZCKN-GXSJLCMTSA-N 300.322 -0.739 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)CCCC(N)=O)CCO1 1065307091 VVEHUNNXIDZUJU-CYBMUJFWSA-N 323.393 -0.355 30 20 DBED Cn1nnc(C(=O)N[C@@]2(C)CCN(c3ccc(C#N)nc3)C2)n1 1065317375 WYKVWNFMRQMMDL-AWEZNQCLSA-N 312.337 -0.124 30 20 DBED N#Cc1ccc(N2CCOC[C@@H]2CNC(=O)c2cnon2)cn1 1066497370 ODUQGNVSSVQVOC-LBPRGKRZSA-N 314.305 -0.029 30 20 DBED C=C(C)C[C@@H](C)C(=O)N1CC2(C[C@@H](NC(=O)C(N)=O)CO2)C1 1068991693 AUQITBRAIHQOAD-GHMZBOCLSA-N 309.366 -0.440 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2[nH]nnc2C)C1 1069995359 KYBRGSVMGGUOIJ-MNOVXSKESA-N 302.342 -0.454 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)[C@@H]4COCCO4)C[C@@]3(C1)O2 1070767197 SLONBCYHGUAKIK-HGTKMLMNSA-N 306.362 -0.663 30 20 DBED C=CCN1C[C@H]2C[C@@H]3CN(C(=O)[C@@H]4CCN(C)C4=O)C[C@@]3(C1)O2 1070839006 DQRKOWBORLRNDH-VMUDFCTBSA-N 319.405 -0.048 30 20 DBED N#CCN1CCNC(=O)CCN(C(=O)[C@H]2CCCCO2)CC1 1070954955 CQROCOKLIICLLI-CYBMUJFWSA-N 308.382 -0.270 30 20 DBED Cc1cn(C)nc1C(=O)N1CCC(=O)NCCN(CC#N)CC1 1070963364 OCIZRARBHWPYQY-UHFFFAOYSA-N 318.381 -0.484 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1CCCN(C(=O)C(N)=O)C1 1071220505 IULUGJQLSGNALA-VXGBXAGGSA-N 324.381 -0.950 30 20 DBED C#CCN1C[C@@H](NC(=O)CN2CCN(C)C(=O)C2)CC[C@H]1C 1071621680 BMNSGGYSOJBHGP-KGLIPLIRSA-N 306.410 -0.637 30 20 DBED C#CCCN1C[C@H](NC(=O)CN2CC(=O)N(C)C2=O)CC[C@@H]1C 1071989773 RGHPCOMZFFMIFQ-QWHCGFSZSA-N 320.393 -0.127 30 20 DBED C#CCOCCC(=O)N1C[C@@H](NC(=O)c2ncn(C)n2)[C@H](C)C1 1072097874 SCCPKODXVSHYGA-VXGBXAGGSA-N 319.365 -0.568 30 20 DBED C=CCCCC(=O)N1C[C@@H](NC(=O)Cn2ncnn2)[C@H](C)C1 1072637071 YCKKUBUUXQDHAS-VXGBXAGGSA-N 306.370 -0.008 30 20 DBED C#CCN1CCC2(C1)CN(C(=O)CC[C@H]1NC(=O)NC1=O)C2 1073413301 VKDNYHBJJIPHFP-LLVKDONJSA-N 304.350 -0.858 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)C3CN(C(C)=O)C3)C[C@@H]21 1074225536 FQWBCQQJHBEVGG-GJZGRUSLSA-N 305.378 -0.600 30 20 DBED C#CCOCCC(=O)N[C@H]1CCN(C(=O)CC(=O)NC)[C@@H](C)C1 1074990936 NIJWJAJOZPGXQB-STQMWFEESA-N 323.393 -0.342 30 20 DBED C=C[C@](C)(O)CC(=O)NCC[C@H](C)NC(=O)Cn1nccn1 1076304699 AJYKRZVBIZIUJF-FZMZJTMJSA-N 309.370 -0.384 30 20 DBED C#CCOCCC(=O)NCC[C@H](C)NC(=O)[C@H](C)n1cncn1 1076504166 OGUCMVUQAVGHEW-STQMWFEESA-N 321.381 -0.110 30 20 DBED CCCCn1nc(C(=O)N[C@@H]2CN(CC#N)C[C@H]2O)ccc1=O 1078161488 WCZOTBWTOUURDM-CHWSQXEVSA-N 319.365 -0.658 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)CNC(N)=O)C1 1079284174 AQDUACVSFZTDAC-JTQLQIEISA-N 312.370 -0.695 30 20 DBED C=CCOCC(=O)N(CC)C1CN(C(=O)[C@]2(C)CCC(=O)N2)C1 1079493035 WEGAPJYGELTTDD-INIZCTEOSA-N 323.393 -0.083 30 20 DBED C=CCN1C[C@@H](NC(=O)C2CC3(C2)NC(=O)NC3=O)[C@H](C)C1 1080600405 AWDQZRKBRIIVBI-GPZIFOQPSA-N 306.366 -0.403 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(C(=O)COCC=C)C[C@@H]1O 1081488477 IQYKOMQKXATQNB-KGLIPLIRSA-N 324.377 -0.836 30 20 DBED C=C(C)CCC(=O)NC[C@@H]1CN(C(=O)c2cnn[nH]2)C[C@H]1O 1081533912 QAIZAEXWIIQUDQ-ZYHUDNBSSA-N 307.354 -0.290 30 20 DBED C=CCCCC(=O)N1C[C@H](CNC(=O)C2(C(N)=O)CC2)[C@@H](O)C1 1081717056 SVTZBRCFTMWTIG-RYUDHWBXSA-N 323.393 -0.456 30 20 DBED CO[C@@H]1CN(Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)C(N)=O 1082086609 HCXMLVHBCSHKBM-CHWSQXEVSA-N 320.324 -0.502 30 20 DBED CNC(=O)NCCC(=O)NC[C@@H]1CCCCN1C(=O)[C@@H](C)C#N 1082267478 QUPMISLVRRJDBD-RYUDHWBXSA-N 323.397 -0.038 30 20 DBED C#CCN1C[C@@H](NC(=O)c2ccc(N(C)C)nn2)[C@H](OC)C1 1082330208 HSOBSPMDGIXVJC-CHWSQXEVSA-N 303.366 -0.395 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)C[C@@H]1CCN(C)C1=O 1083112676 MDMIUTKUFYSVSE-MELADBBJSA-N 305.378 -0.600 30 20 DBED C=C(Cl)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CCNC1=O 1083161532 HJLVLPPFEJHDPD-SDDRHHMPSA-N 313.785 -0.213 30 20 DBED C=C(C)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cn(C)c(=O)n1C 1083285876 JCKLIXNNBGEWHU-GXTWGEPZSA-N 320.393 -0.175 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)c2cnc3c(c2)nnn3C)C1 1083649790 QEQXUACOULHCDX-OLZOCXBDSA-N 316.365 -0.286 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@H](C)N2CCCCC2=O)C1 1084084946 GWUINIIHSXGVCX-MJBXVCDLSA-N 307.394 -0.428 30 20 DBED C=CCN1CC[C@@H]2CN(C(=O)CN3CC(=O)N(C)C3=O)[C@@H]2C1 1084772328 ZNEQFPLIWHBVPM-VXGBXAGGSA-N 306.366 -0.401 30 20 DBED C#CCN1C[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)CC2(CCOCC2)C1 1089959422 KDCYHSBDANOVBW-MCIONIFRSA-N 319.405 -0.272 30 20 DBED C[C@H]1[C@@H](Nc2nccnc2C#N)CCN1C(=O)CNC(N)=O 1090195341 SEZGETINLNZTHA-IUCAKERBSA-N 303.326 -0.582 30 20 DBED N#CCN1CC[C@H](NC(=O)Cn2ccc(C(F)F)n2)[C@@H](O)C1 1090314972 GPYNWVWWPINIDE-ONGXEEELSA-N 313.308 -0.104 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2noc3c2COCC3)[C@@H](O)C1 1090825199 XAUIPOBTWZRCQH-OLZOCXBDSA-N 319.361 -0.064 30 20 DBED CCC[C@@H](OC)C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@@H]1O 1091165985 JLJDAEOGZLYPSQ-FRRDWIJNSA-N 319.365 -0.171 30 20 DBED C[C@@H]1[C@@H](NC(=O)CC(=O)N(C)C)CCN1c1nccnc1C#N 1092059333 SRPQMJPLTLNMOF-MNOVXSKESA-N 316.365 -0.090 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@@H]2CN(c3nccc(C)n3)C[C@@H]12 1093265267 BRWBPJYRNGPWTD-VXGBXAGGSA-N 313.361 -0.525 30 20 DBED C=CCCN1CC(OC2CCN(C(=O)Cn3ncnn3)CC2)C1 1093536669 NVELJZGLMCPAJK-UHFFFAOYSA-N 320.397 -0.059 30 20 DBED CN1C[C@@H](C(=O)N2CCC(OC3CN(CC#N)C3)CC2)NC1=O 1093560259 GVDMJMCIOLSDHO-ZDUSSCGKSA-N 321.381 -0.775 30 20 DBED CNC(=O)c1cccc(C(=O)NCCN=c2cc[nH]c(C#N)n2)c1 1093653463 PBARNTLTWRPZKL-UHFFFAOYSA-N 324.344 -0.028 30 20 DBED N#Cc1nc(=NCCNC(=O)c2ccc(C(N)=O)nc2)cc[nH]1 1093699093 YCOGGXCXRXLSIU-UHFFFAOYSA-N 311.305 -0.894 30 20 DBED CCNC(=O)NC(C)(C)C(=O)NCCNc1nccnc1C#N 1093869552 TYSRLZGJZSKCSQ-UHFFFAOYSA-N 319.369 -0.026 30 20 DBED C#CCN1CC(n2cc(CNC(=O)c3nnn(C)c3C)nn2)C1 1094282390 PYIQNOAVVRXSNK-UHFFFAOYSA-N 314.353 -0.865 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)c3cnn(C)c3C)CC2=O)C1 1094702475 AKSQXHZETDOFNW-LBPRGKRZSA-N 317.393 -0.071 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)C3CC(OC)C3)CC2=O)C1 1094750363 ZXAIQZXRGCTQNR-MBHSVXNSSA-N 305.378 -0.554 30 20 DBED CN(CCCNC(=O)[C@H]1CCNC(=O)C1)c1nccnc1C#N 1095516496 WYUAGRUOBVHQFB-NSHDSACASA-N 316.365 -0.183 30 20 DBED Cc1cc(C#N)nc(N(C)CCCNC(=O)Cc2nc[nH]n2)n1 1095636744 JVZBHLTXKGLUNX-UHFFFAOYSA-N 314.353 -0.040 30 20 DBED CN1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC#N)S1(=O)=O 1096143837 GFQLMTBELGWZKG-RHYQMDGZSA-N 312.395 -0.735 30 20 DBED COC[C@H](OC)C(=O)N[C@@H]1CCN(c2nccnc2C#N)C1 1096481998 FWFLDSBYJWWMFB-PWSUYJOCSA-N 305.338 -0.295 30 20 DBED CN(C)CCOCC(=O)N1CC[C@H](Nc2cnc(C#N)cn2)C1 1096947425 UNQWRNOVVRTLAH-LBPRGKRZSA-N 318.381 -0.061 30 20 DBED COC(=O)NCC(=O)N[C@H]1C[C@H](Nc2cncc(C#N)n2)C1 1096990477 YBIUYUSSXTYVEH-KYZUINATSA-N 304.310 -0.237 30 20 DBED CNC(=O)C1(C(=O)N[C@H]2C[C@H](Nc3ccc(C#N)nn3)C2)CC1 1097044714 RASVRKUFKFVJBR-XYPYZODXSA-N 314.349 -0.066 30 20 DBED C[C@@H](CNC(=O)CNC(=O)C1CC1)N=c1cc[nH]c(C#N)n1 1097687295 VWFCTWMMPAZVAT-VIFPVBQESA-N 302.338 -0.787 30 20 DBED C[C@H](CNC(=O)C[C@@H]1CCC(=O)N1)Nc1cnc(C#N)cn1 1097950448 OXNMUQJOLQFTPK-ZJUUUORDSA-N 302.338 -0.066 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)[C@H]1CCC(=O)N1)C[C@H](C)O2 1098578314 QRSHHPLCGUUCRT-UONOGXRCSA-N 319.405 -0.020 30 20 DBED N#CCNCc1cn([C@@H]2CCN(C(=O)Cc3nc[nH]n3)C2)nn1 1098763239 VTQAGPUPAKQZAD-LLVKDONJSA-N 315.341 -0.975 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2snnc2C)[C@H](O)C1 1099651059 OSHBCEVMMIOZGQ-NWDGAFQWSA-N 324.406 -0.339 30 20 DBED C#CCCCC(=O)N[C@@H]1CCN(Cc2ncnn2C)C[C@@H]1O 1099806427 AOTQCOWTWQEXKK-OLZOCXBDSA-N 305.382 -0.330 30 20 DBED C=CCCCN1CC[C@@H](NC(=O)c2cc(=O)n(C)cn2)[C@H](O)C1 1099879115 FRPFGBNOUZVIGP-TZMCWYRMSA-N 320.393 -0.089 30 20 DBED C=CC(C)(C)C(=O)N[C@H]1CCN(CC(=O)NCC#N)C[C@H]1O 1099944283 LLANAYKDXXMUCN-NWDGAFQWSA-N 308.382 -0.610 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)c2cccnn2)[C@H](O)C1 1100041716 NCEMGWZRKONVSI-TZMCWYRMSA-N 306.366 -0.156 30 20 DBED C=CCN1CC[C@@H](NC(=O)CS(=O)(=O)CCC)[C@@H](O)C1 1100117167 DAGGXPBFBBAHDR-NEPJUHHUSA-N 304.412 -0.451 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)c2cn(C)nc2C)C1 1100194540 YUZQWLBHQNQZRS-UHFFFAOYSA-N 317.393 -0.424 30 20 DBED CCN(CCNC(=O)[C@H]1CC[C@H]1C(N)=O)c1nccnc1C#N 1100695681 ZIQRCNYTTDSRRK-MNOVXSKESA-N 316.365 -0.198 30 20 DBED CCCN(CCNC(=O)CCNC(N)=O)c1nccnc1C#N 1101145606 UAEFDVCEWDKISE-UHFFFAOYSA-N 319.369 -0.261 30 20 DBED CCCC(=O)NCC(=O)NC[C@@H](CC)N=c1cc[nH]c(C#N)n1 1103003286 AFJROFXADDLDMD-LLVKDONJSA-N 318.381 -0.007 30 20 DBED CC[C@@H](CNC(=O)C(C)(C)NC(C)=O)N=c1cc[nH]c(C#N)n1 1103135306 GSKZCZHPYLEGSM-NSHDSACASA-N 318.381 -0.008 30 20 DBED CC[C@H](CNC(=O)[C@H]1CCNC1=O)N=c1cc[nH]cc1C#N 1103260058 YZKVKKNAWQKLTQ-NEPJUHHUSA-N 301.350 -0.182 30 20 DBED C#CCOCCC(=O)N1C[C@@H](C)[C@H](CCN[C@@H]2CCNC2=O)C1 1104182547 DKTPBCKWIPXBCU-RBSFLKMASA-N 321.421 -0.011 30 20 DBED CC#CCNCC[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@H]1C 1104370412 UUDGTELXFJLSKQ-ZIAGYGMSSA-N 319.409 -0.321 30 20 DBED C=C(C)CNCc1cn(C2CN(C(=O)[C@H](COC)OC)C2)nn1 1105324022 OTQFHVAAXXXEOJ-AWEZNQCLSA-N 323.397 -0.012 30 20 DBED C#CCNC1CCC2(CC1)CN(C(=O)CNC(N)=O)CCO2 1105454617 CLSPDELGEQUFNF-UHFFFAOYSA-N 308.382 -0.582 30 20 DBED N#Cc1nc(=NC[C@@H](O)CNC(=O)CCc2ccoc2)cc[nH]1 1105786446 MCGALBYDNIIDQD-GFCCVEGCSA-N 315.333 -0.115 30 20 DBED Cc1nc(NC[C@H](O)CNC(=O)c2ncn(C)n2)ccc1C#N 1105815421 ITIPBGWAKDYRHX-NSHDSACASA-N 315.337 -0.407 30 20 DBED CNC(=O)NCCC(=O)NC[C@@H](O)CNc1ccc(C#N)cn1 1105815582 KIDOUAYXSTWNCM-NSHDSACASA-N 320.353 -0.839 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H](O)CNc1nccc(OC)n1 1105970145 AZZXXUVQNYKLPC-MNOVXSKESA-N 308.338 -0.588 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H](O)CNc1nc[nH]c2ncnc1-2 1105971318 XFFOYFBUDNQMMW-NXEZZACHSA-N 318.337 -0.768 30 20 DBED N#Cc1nccnc1NC[C@H](O)CNC(=O)Cc1cnc[nH]1 1106130905 ZVFSWEUGLVVMPP-SNVBAGLBSA-N 301.310 -0.797 30 20 DBED N#Cc1nc(=NC/C=C/CNC(=O)[C@@H]2COCCO2)cc[nH]1 1107050332 GACOXDAGGDUHAM-GXFZAYBSSA-N 303.322 -0.730 30 20 DBED C=C[C@](C)(O)CC(=O)NCc1cn(C2CN(CCCO)C2)nn1 1107164101 PVBAWAXXZGUTJN-HNNXBMFYSA-N 323.397 -0.540 30 20 DBED N#Cc1ccc(NC/C=C/CNC(=O)C2(C(N)=O)CC2)nn1 1107480939 YLEISZRRIGBLDT-OWOJBTEDSA-N 300.322 -0.302 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)C[C@H]1COC(=O)C1 1107684584 SPTGFEWGKZDHEX-NXEZZACHSA-N 303.322 -0.360 30 20 DBED COc1nn(C)cc1C(=O)NC[C@]1(C)CN(CC#N)CCO1 1108113999 ZPQHNMXGYRLVHI-CQSZACIVSA-N 307.354 -0.227 30 20 DBED CNC(=O)C1(C(=O)N[C@@H](C)CN=c2cc[nH]cc2C#N)CC1 1108440188 KNNPTNTUWXTJNV-JTQLQIEISA-N 301.350 -0.182 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)[C@@H](OCC)C3CC3)CC2=O)C1 1108546017 MDOHTNCVZBTWBF-CJNGLKHVSA-N 319.405 -0.164 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)[C@H](COC)OC)CC2=O)C1 1108569515 KCNILQFGIKTSGB-YPMHNXCESA-N 311.382 -0.765 30 20 DBED C[C@H](CN(C)c1ccc(C#N)nn1)NC(=O)CN1CCOCC1 1108904176 UGGLOVIVIXVQCV-GFCCVEGCSA-N 318.381 -0.379 30 20 DBED C[C@@H](CN(C)c1ccnc(C#N)n1)NC(=O)[C@@]1(C)CCNC1=O 1109239901 HCGWFLNNOZADAS-BONVTDFDSA-N 316.365 -0.185 30 20 DBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CC(=O)NCC 1110466635 UKBMATJNEHPYRJ-UPJWGTAASA-N 322.409 -0.464 30 20 DBED CNC(=O)CC(=O)N1C[C@@H]2CN(c3ccc(C#N)nn3)C[C@@H]2C1 1111292325 BFLCQMZTBAWIMG-PHIMTYICSA-N 314.349 -0.621 30 20 DBED C=C[C@](C)(O)CC(=O)N(CCO)CCNc1nccnc1C#N 1111466801 JHKOYEPJIFFBPC-HNNXBMFYSA-N 319.365 -0.092 30 20 DBED C#CCO[C@@H](C)C(=O)N(CCO)CCNc1nccnc1F 1111510923 PZRKWYXKXAFLRS-NSHDSACASA-N 310.329 -0.113 30 20 DBED CCC(=O)NCC(=O)N1C[C@@H](C)[C@@H](N=c2cc[nH]c(C#N)n2)C1 1112313508 ZKHRJWBLQQPUCF-MNOVXSKESA-N 316.365 -0.445 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)CC2OCCCO2)CC1 1112791259 BGNYQBKBOSSPKU-CYBMUJFWSA-N 323.393 -0.578 30 20 DBED C=CCOCCN1CCN(C(=O)[C@H](C)S(C)(=O)=O)CC1 1113020660 WGZFXBRFKQXRBD-LBPRGKRZSA-N 304.412 -0.234 30 20 DBED CCc1nocc1C(=O)N1CCN(CC(=O)NCC#N)CC1 1113315066 UBGZHWMRBCGABZ-UHFFFAOYSA-N 305.338 -0.365 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)[C@@H](COC)OC)CC1 1113320692 KOTDDADRPAJDLV-CHWSQXEVSA-N 313.398 -0.517 30 20 DBED Cc1cnn(CCC(=O)N2CCN(CC(=O)NCC#N)CC2)c1 1113677631 FUORURCYJQPHAG-UHFFFAOYSA-N 318.381 -0.634 30 20 DBED C[C@H](CNC(=O)C1CS(=O)(=O)C1)N(C)c1nccnc1C#N 1113733367 AUPLOWQLMDPTCS-SECBINFHSA-N 323.378 -0.666 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)CCCC(C)=O)[C@@H]2C1 1113859288 CFPDJKCNKGTTFH-CHWSQXEVSA-N 305.378 -0.459 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)c3cccn3C)[C@H]2C1 1113866958 IWNKACCLJBVLDM-CXTNEJHOSA-N 314.389 -0.177 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@H](C)CSC)[C@H]2C1 1114054060 KRQYBNVNHNRNGA-NMKXLXIOSA-N 309.435 -0.219 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@H]2CN(CCCCOC)C[C@H]12 1114169073 AINRCUIQWSPTLZ-STQMWFEESA-N 307.394 -0.401 30 20 DBED C=CCN1C[C@H]2[C@H](NC(=O)CNC(=O)C3CCOCC3)[C@H]2C1 1114989584 SUZQPVAWEOQADQ-NHAGDIPZSA-N 307.394 -0.238 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)CN(C)C(C)C)[C@H]2C1 1115300748 YUYYUNGFKZDWRP-NYTXWWLZSA-N 320.437 -0.489 30 20 DBED C[C@H](C#N)OCCSCC(=O)N[C@@H]1CCS(=O)(=O)C1 1116959975 IYIKBYWKYOUXHF-NXEZZACHSA-N 306.409 -0.048 30 20 DBED N#CCNC(=O)CNC(=O)Cc1csc(N2CCOCC2)n1 1117274060 OAWTUPXBFIQIQT-UHFFFAOYSA-N 323.378 -0.722 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N[C@H](COC)[C@H]1CCCO1 1117544961 SMRYCWBAZSLKRR-IJLUTSLNSA-N 300.355 -0.386 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)Nc1cnn(CC#N)c1 1118476757 CNEDZGVRZBDURN-UHFFFAOYSA-N 303.322 -0.157 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)NCCC(=O)NC(C)C 1119097868 ODQVRZTTYYHYJB-GFCCVEGCSA-N 311.382 -0.438 30 20 DBED C[C@H](CN(C)C(=O)Cc1nc[nH]n1)Nc1cnc(C#N)cn1 1120068980 XIFKERIVYKCJFR-SECBINFHSA-N 300.326 -0.032 30 20 DBED Cc1c(C(=O)NC[C@@H](CO)Nc2nccnc2C#N)cnn1C 1121044572 RLNNXWPQTYJIIC-JTQLQIEISA-N 315.337 -0.407 30 20 DBED Cc1cc(=N[C@H](CO)CNC(=O)[C@@H]2CCCOC2)c(C#N)c[nH]1 1121205345 OCDBGTWCLJWHEJ-OCCSQVGLSA-N 318.377 -0.001 30 20 DBED CN1CCC[C@@H]1C(=O)NC[C@H](CO)Nc1ncccc1C#N 1121242867 RYKBXTWJDXGOGO-CHWSQXEVSA-N 303.366 -0.064 30 20 DBED CCn1nncc1C(=O)NC[C@H](CO)Nc1ncccc1C#N 1121472505 RIBPTWSZVJEISL-LLVKDONJSA-N 315.337 -0.233 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)[C@]2(F)CCOC2)nc1 1122412192 WOGNUQAAGCVLLT-RISCZKNCSA-N 308.313 -0.029 30 20 DBED N#Cc1nccnc1N[C@H](CO)CNC(=O)Cc1cscn1 1122653236 ZYKKCSMWJYSRIV-JTQLQIEISA-N 318.362 -0.064 30 20 DBED CC1(C)CN(C(=O)CNC(N)=O)C[C@H]1Nc1cnc(C#N)cn1 1123902609 WJNIUPVOLUBGIP-SNVBAGLBSA-N 317.353 -0.335 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]cc1C#N)C(=O)[C@@H]1CCOC1 1124140735 MMGKCMBCHDHRBC-DGCLKSJQSA-N 304.350 -0.357 30 20 DBED CO[C@H](C)CCC(=O)N(C)C[C@H](O)CN=c1cc[nH]c(C#N)n1 1124329902 VMVQUYOPEYUBCK-VXGBXAGGSA-N 321.381 -0.184 30 20 DBED C#CCO[C@@H](C)C(=O)NCCNCc1nsc(N(C)C)n1 1127039066 BBRUNUSXPBAJEH-JTQLQIEISA-N 311.411 -0.152 30 20 DBED CCS(=O)(=O)NCC(=O)NCCNCc1ccccc1C#N 1128595314 XSTQHGSGRVGWKR-UHFFFAOYSA-N 324.406 -0.297 30 20 DBED COCC#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H](C)C#N)C1 1128829758 JIQDRSKMYQQGFT-MJBXVCDLSA-N 316.365 -0.571 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)C1CC(OC)C1 1130023976 CKNDSBMBKMAWHK-UHFFFAOYSA-N 310.398 -0.121 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1ccc2c(c1)ncn2C 1130511596 DOAISRFFGZGQQE-UHFFFAOYSA-N 313.361 -0.358 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)C(=O)Nc1ccccc1 1130791412 RCYLDCQUVQIYQY-GFCCVEGCSA-N 316.361 -0.531 30 20 DBED C#CCCN1C[C@H]2C[C@@H]3CN(C(=O)CN(C)C(C)=O)C[C@@]3(C1)O2 1131193902 GKVQTBACHIABLY-BFYDXBDKSA-N 319.405 -0.210 30 20 DBED C#CCCCC(=O)N1CCC(=O)NCCN(CC(=O)NC)CC1 1131353985 LBMOVLDCIRVLTK-UHFFFAOYSA-N 322.409 -0.814 30 20 DBED C#CCN1CC[C@@]2(C1)CN(C(=O)CCNC(N)=O)C[C@@H](C)O2 1131697242 IGCLCNMEGCPQAO-IUODEOHRSA-N 308.382 -0.630 30 20 DBED C=CCNC(=O)CN1CCN([C@H]2CCCN(C(C)=O)C2)C(=O)C1 1131704729 ZTOKUBGSSFLJFU-AWEZNQCLSA-N 322.409 -0.556 30 20 DBED C[C@@H]1CCN(C(=O)CN2CCOCC2=O)C[C@@H]1CNCC#N 1132902895 YELKYUQDPAUHDJ-OLZOCXBDSA-N 308.382 -0.557 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)c1ccc(C(N)=O)[nH]1 1133952474 DJNATOSEBJVCNN-SECBINFHSA-N 307.354 -0.876 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)C[C@@H](C)NCCn1cccn1 1134130805 MQTVCAXJKHBVQE-ZIAGYGMSSA-N 319.409 -0.105 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)C[C@@H](C)NCc1nnc(C)o1 1134131206 SAZLDPCKFWNFGD-GHMZBOCLSA-N 321.381 -0.110 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NCCNCc1nc(O)n[nH]1 1134817108 NQOFHOVZUDPSDK-JTQLQIEISA-N 310.358 -0.813 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)CCCN(C)C(C)=O)C1=O 1149248511 YMQPKWUDOHJANX-AWEZNQCLSA-N 324.425 -0.262 30 20 DBED COCC#CCN1CCCO[C@H](CNC(=O)c2cccnn2)C1 1150469304 FILOSFQONYLQSK-CQSZACIVSA-N 318.377 -0.053 30 20 DBED CCN(CC#N)[C@H](C)CNC(=O)CN(C)CC(=O)NC(C)C 1154167902 UHYKZPIUAOVZAN-CYBMUJFWSA-N 311.430 -0.207 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)Cc1cc(C)on1 1155937060 FCAOIKKUNFLCBF-LBPRGKRZSA-N 306.366 -0.241 30 20 DBED C=C(C)CN(CC)[C@H](C)CNC(=O)c1cn(CC(N)=O)nn1 1157109967 WVYWWQQIVDKNEF-LLVKDONJSA-N 308.386 -0.220 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)C(C)(C)N(C)CC 1161226605 KUICXRWPYXOCFE-ZDUSSCGKSA-N 310.442 -0.050 30 20 DBED C#CCN1CCC(C(=O)NCCCNCC(=O)NCC#N)CC1 1176926358 JXCAGZDKGMSJQK-UHFFFAOYSA-N 319.409 -0.933 30 20 DBED C=CCOCCN1CCO[C@H]2CCN(C(=O)CC(N)=O)C[C@@H]21 1176949557 PKMHZBLIEKUPBX-STQMWFEESA-N 311.382 -0.634 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)[C@H]1C 1178493779 DXXZVHFFKMXGDP-FZMZJTMJSA-N 313.361 -0.172 30 20 DBED C=C(Cl)CN[C@@H]1CCN(C(=O)CNS(=O)(=O)CC)C1 1182992445 PYXCJFFQIXLDNN-SNVBAGLBSA-N 309.819 -0.131 30 20 DBED C#CCNC[C@H]1CCN(C(=O)CN2CCNC(=O)C2)C[C@@H]1C 1184922995 IPKGUFKKICFCOF-UONOGXRCSA-N 306.410 -0.874 30 20 DBED CC#CCNCc1cn([C@@H]2CCCN(C(=O)C(N)=O)C2)nn1 1186001403 VZGYJFGLBZUKIU-GFCCVEGCSA-N 304.354 -0.960 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)C(=O)NCC2CC2)C1 1186666329 YMRUFJVCNQWTBJ-WCQYABFASA-N 322.409 -0.606 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)Cc2nc[nH]n2)C1 1186967943 FEQFJJYBFBYAGT-WDEREUQCSA-N 306.370 -0.772 30 20 DBED C=CCOCC(=O)N1CC[C@H]2CN(Cc3nnnn3C)C[C@H]21 1187295597 DPFJZNZLAAEWFZ-NWDGAFQWSA-N 306.370 -0.555 30 20 DBED CNC(=O)NC(=O)CN1C[C@@H]2CCN(C(=O)[C@@H](C)C#N)[C@@H]2C1 1187311614 JFODEYMPFTZQRI-GARJFASQSA-N 307.354 -0.866 30 20 DBED C#CCCN[C@@H]1CCN(C(=O)C[C@]2(C)CCS(=O)(=O)N2)C1 1187395237 UENBLEUZTANFHW-OCCSQVGLSA-N 313.423 -0.328 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)CCc2nc[nH]n2)C1 1189575540 VYOGOHBWMJFUMC-GFCCVEGCSA-N 318.381 -0.981 30 20 DBED CN(CC(=O)NCC#N)[C@@H]1CCN(C(=O)[C@H]2CCCOCC2)C1 1189875205 WSBFXTQWPRDICZ-UONOGXRCSA-N 322.409 -0.024 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC[C@@H](N(C)CCN2CCNC2=O)C1 1189917645 IYIDVMXNLNDDQA-CZUORRHYSA-N 324.425 -0.129 30 20 DBED CC#CCN(C)[C@@H]1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)C1 1190482668 GNTJGOHLYCEPKL-CYBMUJFWSA-N 318.377 -0.897 30 20 DBED CCN1CCOC[C@@H]1C(=O)N1CC[C@@H](N(C)CC#CCOC)C1 1191060735 CMRNFXNLYUADAM-HZPDHXFCSA-N 323.437 -0.110 30 20 DBED CCCn1c(C)nnc1CN1C[C@@H](O)[C@H](NC(=O)[C@H](C)C#N)C1 1191853937 HSFBDRUPQURGBM-RAIGVLPGSA-N 320.397 -0.183 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)CC2CCC2)C1 1192021522 DRPKDIPLFBSHAB-MRVWCRGKSA-N 307.394 -0.524 30 20 DBED COCC#CCN(C)[C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 1192332548 JMCXYIVGHSCKND-HZSPNIEDSA-N 323.393 -0.798 30 20 DBED CC(C)C[C@]1(C(=O)N[C@@H]2CN(CC#N)C[C@H]2O)CCNC1=O 1193912306 VLCUWIZVUNRRSL-LALPHHSUSA-N 308.382 -0.776 30 20 DBED C#CCNC(=O)CC(=O)N1CCCN(Cc2cnon2)CC1 1195588911 ZTAODXQNDMRSLI-UHFFFAOYSA-N 305.338 -0.757 30 20 DBED CNC(=O)NC(=O)[C@H](C)N1CCCN(C(=O)C#CC2CC2)CC1 1195753759 AYSNYBFTFKHUHH-LBPRGKRZSA-N 320.393 -0.222 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)COCc2nncn2C)C1 1197359157 RKXLSDJCTQKPHI-VXGBXAGGSA-N 309.370 -0.931 30 20 DBED C#CCNC(=O)CNC[C@H]1CN(C(=O)[C@H](C)C#N)CCCO1 1200116536 XQFWVNMYWQSZOD-OLZOCXBDSA-N 306.366 -0.897 30 20 DBED C#CCNC[C@H]1CN(C(=O)c2cn(C)c(=O)n2C)CCCO1 1202172607 CSYRHEBAAFZFFS-LBPRGKRZSA-N 306.366 -0.822 30 20 DBED C=CCOCC(=O)N[C@H]1C[C@H](NCC(=O)NC(N)=O)C12CCC2 1202634539 SARRQBZOZVKFPZ-QWRGUYRKSA-N 324.381 -0.599 30 20 DBED N#CCNC(=O)CN[C@H]1C[C@H]2CC[C@H]1N(C(=O)c1cn[nH]c1)C2 1204003011 BHJGNTJLOSRRMX-KGYLQXTDSA-N 316.365 -0.368 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@H]2CC[C@H]1N(C(=O)c1cnon1)C2 1204813963 XYFSHHIYIMXPFM-NTZNESFSSA-N 317.349 -0.598 30 20 DBED C=CCNC(=O)[C@@H](C)NCC1CCN(C(=O)CC(N)=O)CC1 1204851754 CFECRXSDCGSBKB-LLVKDONJSA-N 310.398 -0.619 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC[C@@H](NCC(=O)NC)C1 1209964166 OJMFPXDEACDDEW-KGLIPLIRSA-N 324.425 -0.216 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(Cc2cnn(C)n2)C[C@H]1OC 1212194045 NRXOFOZDGPNLGP-NFAWXSAZSA-N 323.397 -0.542 30 20 DBED CCCS(=O)(=O)CC(=O)N[C@@H]1CN(CC#N)C[C@H]1OC 1213875781 WCPAHPPROAYBOC-GHMZBOCLSA-N 303.384 -0.850 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CNC(=O)N1CCCC1 1217896249 XPICHFRIGUKAMN-UONOGXRCSA-N 320.393 -0.663 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H](C)C(C)(C)C)C1 1219881655 HHAXJOVNGVOUBW-UPJWGTAASA-N 309.410 -0.421 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)C2(C)CC=CC2)C1 1220274985 KMDUXNKUFVCBNZ-MCIONIFRSA-N 319.405 -0.358 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1CN(CCCO)C[C@@H]1O 1220488195 RJSVMVRLBDEAAK-MCIONIFRSA-N 313.398 -0.999 30 20 DBED CO[C@H](Cc1ccccc1)C(=O)N[C@@H]1CN(CC#N)C[C@@H]1O 1221017189 VILYUYQSFGRLCN-QLFBSQMISA-N 303.362 -0.071 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)C(C)(C)COC)[C@@H]2C1 1221692844 OQLUUHKPRZNPFF-ZIAGYGMSSA-N 321.421 -0.059 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)C2=COCCO2)CC1 1225890099 LLYVGZSQFVJKLX-UHFFFAOYSA-N 309.366 -0.243 30 20 DBED CC#CCN[C@@H]1CCCC[C@H]1NC(=O)CN1CC(=O)NC1=O 1229180572 MLMOZYWVZDMNHB-VXGBXAGGSA-N 306.366 -0.422 30 20 DBED C#CCCN[C@@H]1CCCC[C@H]1NC(=O)CN1C(=O)CN(C)C1=O 1230081958 CYABOJZYSHWQBX-CHWSQXEVSA-N 320.393 -0.079 30 20 DBED C=CCNC(=O)CN1CC[C@H]1CN(C)C(=O)c1cnn(C)c1N 1233801055 MTPHOVBSGAYYOK-NSHDSACASA-N 320.397 -0.549 30 20 DBED CN(Cc1nnc2ccccn12)C(=O)NCC(=O)NCC#N 1261100581 VOWDNCWUSLTDFL-UHFFFAOYSA-N 301.310 -0.490 30 20 DBED C#CCNC(=O)CN1CCN(C[C@H]2CC3(CC3)C(=O)O2)CC1 1261544553 WDQWZTGCLUGALB-CYBMUJFWSA-N 305.378 -0.551 30 20 DBED C=C[C@H](CO)NC(=O)C(=O)Nc1cccc2c1CN(C)C2=O 1261630014 YQUJBLGPZISEJT-SECBINFHSA-N 303.318 -0.126 30 20 DBED N#CCNC(=O)CNC(=O)N1CC[C@@H](C(F)(F)F)[C@H](CN)C1 1261817939 HBVODJBFLPSIMF-RKDXNWHRSA-N 321.303 -0.205 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N(C1CC1)C1CC1 1261970635 AHBAEMSVMDBYNM-UHFFFAOYSA-N 300.380 -0.143 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N[C@@H]1CC[C@H](C(=O)OC)C1 1262297456 RFBKJFISOXDVRA-RWMBFGLXSA-N 324.377 -0.011 30 20 DBED CN1CCN(C)[C@@H](CNC(=O)NC2CCN(CC#N)CC2)C1 1318506722 IHXOLZYHEACFTI-AWEZNQCLSA-N 308.430 -0.481 30 20 DBED N#CCCCS(=O)(=O)NC[C@H]1CCC[C@]12NC(=O)NC2=O 1319388054 HMIOCYJQQGBONS-SKDRFNHKSA-N 314.367 -0.412 30 20 DBED COCCN(C)CCNC(=O)C(=O)N1CCC(CC#N)CC1 1322241081 KTXBHEXIQVDINY-UHFFFAOYSA-N 310.398 -0.167 30 20 DBED C=CCN(CCOC)C(=O)C(=O)NCc1ccc(C(N)=O)o1 1327217595 AAIFQAWHMPQTOB-UHFFFAOYSA-N 309.322 -0.344 30 20 DBED C#CCSCCNC(=O)C(=O)N(C)C[C@H]1COCCO1 1328020524 BHOUMOQGNYLBJO-NSHDSACASA-N 300.380 -0.657 30 20 DBED C[C@@H](C#N)N(C(=O)C(=O)c1cc(S(N)(=O)=O)cn1C)C1CC1 1328403291 KODOSGIQFGWCJY-QMMMGPOBSA-N 324.362 -0.242 30 20 DBED C=CCOCCNC(=O)C(=O)N1C[C@H](C)O[C@H](C(=O)OC)C1 1330151754 JNZNCKMNFRSGHW-QWRGUYRKSA-N 314.338 -0.906 30 20 DBED C=CCOCCNC(=O)C(=O)N(CC)CCS(C)(=O)=O 1333165576 HGEJSVCZEVAJDQ-UHFFFAOYSA-N 306.384 -0.802 30 20 DBED C#CCN1CCC[C@@H](NC(=O)N(C)CCS(C)(=O)=O)C1 1337017276 XKVRQLBNSZXSMI-GFCCVEGCSA-N 301.412 -0.230 30 20 DBED CN1CCC2(CC1)NC(=O)N(CN1CCOC[C@H]1C#N)C2=O 1339478924 CDZFAKLZTKVELZ-LLVKDONJSA-N 307.354 -0.816 30 20 DBED O=C1C=CC=N/C1=C(\O)NCCNC[C@@H](O)CN1CCCC1 1348446936 MGGYFXXYHDGDAQ-DKASORFFSA-N 308.382 -0.441 30 20 DBED C=CCOCCNC(=O)C(=O)NCc1ccc(C(N)=O)nc1 1350579172 KINNUTKPTFYQKS-UHFFFAOYSA-N 306.322 -0.885 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CN(C)CCO1)NC(=O)c1cc(C#N)c[nH]1 1397405211 XTNTZPWTYBVWRO-GWCFXTLKSA-N 319.365 -0.549 30 20 DBED CNC(=O)NCCC(=O)NC[C@H](C)NC(=O)c1ccc(C#N)[nH]1 1397429753 KPNOAGNTADZWIW-VIFPVBQESA-N 320.353 -0.560 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](NC(=O)COCc2nncn2C)C1 1407148698 GPPGLFYTOPIEJJ-WDEREUQCSA-N 320.353 -0.792 30 20 DBED CCOC(=O)CCNC(=O)CCn1cc(C#N)c(O)nc1=O 1412473550 UOJBGLJJBLEXHZ-UHFFFAOYSA-N 308.294 -0.720 30 20 DBED CCN(CCNC(=O)c1cc(C(N)=O)ccn1)C(=O)[C@H](C)C#N 1429629079 XLPQYGHMOHCJIM-SNVBAGLBSA-N 317.349 -0.082 30 20 DBED C[C@@H](C#N)C(=O)NCCN1CCN(C(=O)[C@@H]2CCOC2)CC1 1429798479 NJYPHRGYPLEKHR-QWHCGFSZSA-N 308.382 -0.557 30 20 DBED C[C@H](CNC(=O)CNC(=O)N1CCCC1)CNC(=O)[C@@H](C)C#N 1432967801 CZNZLXJHNTYNSA-NEPJUHHUSA-N 323.397 -0.180 30 20 DBED CC(C)c1ncncc1C(=O)NC[C@H](O)CNC(=O)[C@H](C)C#N 1433301533 XVKXOQXMNGTHBN-GHMZBOCLSA-N 319.365 -0.033 30 20 DBED CCCn1nccc1C(=O)NCCn1cc(C#N)c(O)nc1=O 1434208460 SICFJKRHLCDPJY-UHFFFAOYSA-N 316.321 -0.143 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CCCN(C(=O)C2(NC(N)=O)CC2)C1 1448395205 QIKCXBXYZIAYCS-MNOVXSKESA-N 321.381 -0.204 30 20 DBED COCC(=O)NCCC(=O)NC[C@@H](C)N(C)C(=O)[C@H](C)C#N 1449975660 MLSIMGGMJBDIQW-GHMZBOCLSA-N 312.370 -0.738 30 20 DBED C[C@@H](C#N)C(=O)N1CCCN(C(=O)CNC(=O)C2CC2)CC1 1523163669 UHKJLKGUSFBJQF-NSHDSACASA-N 306.366 -0.267 30 20 DBED C[C@@H](CNC(=O)[C@H](C)C#N)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 1573586062 YPPRFNMZWVTWFZ-SFYZADRCSA-N 316.325 -0.411 30 20 DBED N#Cc1ncc(N2CCO[C@]3(CCOC3)C2)nc1-c1nn[nH]n1 1581883171 QGUSRHPQIICWFH-CYBMUJFWSA-N 314.309 -0.476 30 20 DBED N#Cc1ncn(CC(=O)N2CCc3cc(-c4nn[nH]n4)ccc32)n1 1581885611 HQBLVHAENKJNEJ-UHFFFAOYSA-N 321.304 -0.081 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H](Cn1cncn1)C(=O)O 1588547999 PIZFRAGDZGGUJG-QWRGUYRKSA-N 309.326 -0.682 30 20 DBED CC(C)C#CC(=O)N(C)CCN=c1cc[nH]c(-c2nn[nH]n2)n1 1589380032 JQZFPXOQTUDUBI-UHFFFAOYSA-N 314.353 -0.392 30 20 DBED N#CCCOCCNC1(CC(=O)O)CCS(=O)(=O)CC1 1601068365 VOIQFIYCNAMVIR-UHFFFAOYSA-N 304.368 -0.072 30 20 DBED C#CCN(CC(=O)O)C(=O)C(=O)Nc1nc2n(n1)CCCC2 1602679328 OBZKHUBJCJYCLT-UHFFFAOYSA-N 305.294 -0.901 30 20 DBED C#CCn1ccc(CN(CCOC)C(=O)[C@H](OC)C(=O)O)n1 1602704338 DURVJOPNBFRGME-LBPRGKRZSA-N 309.322 -0.409 30 20 DBED COC(=O)CCCC(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[nH]1 1604934895 VPWLUDPEAUBFKB-UHFFFAOYSA-N 304.270 -0.257 30 20 DBED C[C@H]1[C@@H](C(=O)O)CCN1C(=O)C(=O)Nc1cnn(CC#N)c1 1609838149 XRVWOBXAEPJCHL-WPRPVWTQSA-N 305.294 -0.333 30 20 DBED C=C[C@](C)(O)CC(=O)N1C[C@@H]2CN(C[C@@H](O)COC)C[C@@H]2C1 1717009853 JWOCFKGTUNMZCE-CTASWTNQSA-N 312.410 -0.289 30 20 DBED N#CCNC(=O)CN1CCC2(CC1)C[C@@H]2NC(=O)c1nc[nH]n1 1752434614 HXTHWWAPZUZQPA-JTQLQIEISA-N 317.353 -0.971 30 20 DBED CC#CCNC[C@@H]1CCCN(C(=O)C2CC(=O)NC(=O)C2)C1 1752808659 HIBSIWQRWAUZFH-LBPRGKRZSA-N 305.378 -0.109 30 20 DBED C#CCN1CCC[C@H]([C@@H](C)NC(=O)Cn2ccc(O)nc2=O)C1 1752837142 RDIICRZLGJUERF-OLZOCXBDSA-N 318.377 -0.201 30 20 DBED C#CCNC(=O)[C@H](C)N1CC(CNC(=O)Cc2cncs2)C1 1753405335 KGMZDUMEFBYWNH-NSHDSACASA-N 320.418 -0.129 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1COC(=O)C1 1753419272 IGIOHAHXOVLXHV-AVGNSLFASA-N 321.377 -0.473 30 20 DBED C#CCCNC[C@@H]1CCC[C@@H]1NC(=O)Cn1ccc(O)nc1=O 1753887200 BKMADEQKQTVLQD-STQMWFEESA-N 318.377 -0.153 30 20 DBED COCC#CCNCC[C@H](C)NC(=O)CC[C@@H]1NC(=O)NC1=O 1754021231 KYQVLZXCFZDHAM-RYUDHWBXSA-N 324.381 -0.891 30 20 DBED C#CCNC(=O)[C@@H](C)NC/C=C/CNC(=O)c1cnnn1CC 1754132058 KBQFDTLZNZEGJQ-NNNHXZLVSA-N 318.381 -0.689 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@H](NC(=O)c1[nH]cnc1C)C1CC1 1754461912 XKEVEKQDKLPSHT-YPMHNXCESA-N 317.393 -0.046 30 20 DBED C=CCNC(=O)[C@H](C)N1CC[C@H]1CNC(=O)CNC(=O)C1CC1 1754473114 GXENUZDJTDSWSY-AAEUAGOBSA-N 322.409 -0.606 30 20 DBED COCC(C)(C)C(=O)N1CCC[C@H]1CNCC(=O)NCC#N 1754612970 PHBDNSRDBVSGHT-LBPRGKRZSA-N 310.398 -0.121 30 20 DBED C#CCN1CC[C@@](O)(CNC(=O)c2cn(C)nc2COC)C1 1754752698 NZEZQPWDOTZCBK-OAHLLOKOSA-N 306.366 -0.634 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)CN(C)S(C)(=O)=O)C[C@@H]1C 1754819742 XEIUXPRYEOZUGN-QWHCGFSZSA-N 315.439 -0.415 30 20 DBED COCC#CCN1CCC[C@](CO)(NC(=O)Cc2ccon2)C1 1754852412 GRKHCUGWDZPLKG-INIZCTEOSA-N 321.377 -0.190 30 20 DBED CNC(=O)CN1CCC[C@](CO)(NC(=O)C#CC(C)(C)C)C1 1754856882 TUXRNSDDOFXWMM-INIZCTEOSA-N 309.410 -0.275 30 20 DBED C#CCN1C[C@@H]2CCCN(C(=O)COCc3nncn3C)[C@@H]2C1 1754874907 SMQXJCZZEZSROV-UONOGXRCSA-N 317.393 -0.112 30 20 DBED C#CCNC(=O)CNCCN(CCO)C(=O)[C@]12CCCC[C@@H]1C2 1754891128 KIMBUVOIJBEQLI-PBHICJAKSA-N 321.421 -0.273 30 20 DBED COCC#CCN1CCOC[C@H]1CNC(=O)c1ccnnc1C 1754968274 AATHTAARBXDDQA-CQSZACIVSA-N 318.377 -0.135 30 20 DBED COCC#CCN1CC2(C[C@H](NC(=O)C(C)(C)C(N)=O)CO2)C1 1755064255 WAGFSKSYIGBGCE-LBPRGKRZSA-N 323.393 -0.893 30 20 DBED Cc1nnsc1C(=O)N[C@H](C)[C@H](C)NCC(=O)NCC#N 1755227881 XDKKSDSTCZKURJ-JGVFFNPUSA-N 310.383 -0.417 30 20 DBED C[C@H](CNC(=O)c1c[nH]c(C#N)c1)N(C)[C@H]1CCC(=O)NC1=O 1755295636 AQOIIHAVCHWRHU-SKDRFNHKSA-N 317.349 -0.258 30 20 DBED C#CCN1CC(CCO)(NC(=O)C2(NC(N)=O)CCCCC2)C1 1755336899 MEPQWYGZCYZJHQ-UHFFFAOYSA-N 322.409 -0.456 30 20 DBED N#CCNC(=O)CNC[C@H]1C[C@H](NC(=O)c2ccc(F)cn2)C1 1755469708 ZSJAILYPDUTDDQ-UMSPYCQHSA-N 319.340 -0.042 30 20 DBED CC(C)C#CC(=O)NC[C@@H](CO)NCc1nc(N(C)C)no1 1755628354 RQYJSBYWBAFOLW-NSHDSACASA-N 309.370 -0.638 30 20 DBED C=CCn1cc(C(=O)NC[C@H](CO)NCc2coc(C)n2)nn1 1755640745 PTDFNTWSQAYVGP-LLVKDONJSA-N 320.353 -0.359 30 20 DBED CC#CCN[C@H]1CCN(C(=O)CN2CCN(C)C(=O)C2)[C@@H]1C 1755656469 OJJOLERQIMHEGL-KGLIPLIRSA-N 306.410 -0.637 30 20 DBED C=CCNC[C@H](O)CN(C)C(=O)[C@@]1(C)CCCS1(=O)=O 1755791367 JUGFBDWSPXDCKQ-WCQYABFASA-N 304.412 -0.451 30 20 DBED C=CCn1cc(C(=O)NC[C@@H](CO)NC(=O)C(C)(C)F)nn1 1756522476 KJKZWNZUHAVCLJ-VIFPVBQESA-N 313.333 -0.581 30 20 DBED C#CCOCCC(=O)N[C@@H](CO)CNC(=O)[C@@]1(C)CCOC1 1756545582 QJYVHHQILRIBJL-DOMZBBRYSA-N 312.366 -0.954 30 20 DBED C#CCOCCC(=O)N(C)C[C@H](O)CNC(=O)c1cn(C)cn1 1756662290 FOEIVXVCQVWSMX-GFCCVEGCSA-N 322.365 -0.991 30 20 DBED N#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CC(O)C1 1792891280 OXYLRBROUVNXRT-VAVWAEKOSA-N 321.377 -0.349 30 20 DBED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCCO1)CCO2 1840015276 JLZUHCCURDAMGN-XJKSGUPXSA-N 322.361 -0.745 30 20 DBED C#CC(=O)N1CC2(CCCN2C(=O)[C@@H](C)Cn2cncn2)C1 1844349898 VODGCUHNKTXZRC-LBPRGKRZSA-N 301.350 -0.249 30 20 DBED C/N=C(/NCCN1CCOCC1)NC[C@](C)(O)c1ccco1 75008539 UTZIJXSPCNCFTH-HNNXBMFYSA-N 310.398 -0.016 30 20 DBED C#CCNC(=O)N1CCN([C@H](C)C(=O)NCCCOC)CC1 103505300 XAPMQWHGFFOZTE-CYBMUJFWSA-N 310.398 -0.512 30 20 DBED C#CCN1CCN(S(=O)(=O)c2scnc2C(=O)O)CC1 134689196 GQEGPTALJNJZMS-UHFFFAOYSA-N 315.376 -0.219 30 20 DBED C=C[C@@H](CC)OC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 181252966 MYHLRSGCQMATCV-VIFPVBQESA-N 306.322 -0.059 30 20 DBED N/C(=N\CCC(=O)N[C@@H]1CCS(=O)(=O)C1)NC1CCCC1 261884218 RQLJJAUEAMDPKW-LLVKDONJSA-N 316.427 -0.473 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCC[C@@H]2CCCNC2)C1=O 262604105 RNIDAHBUHSFDPC-NSHDSACASA-N 322.365 -0.531 30 20 DBED Cn1c(N[C@@H]2CCCC[C@H]2C(N)=O)c(C#N)c(=O)n(C)c1=O 268468527 MCKGJBBCWSLLEQ-PSASIEDQSA-N 305.338 -0.588 30 20 DBED N#Cc1ccc(OCC(=O)NCCCN2CCNC(=O)C2)cc1 271009571 MQWXELNSNDULAQ-UHFFFAOYSA-N 316.361 -0.125 30 20 DBED C[C@@H](C(=O)NCCCC#N)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 273043400 POOMTXWVEGAPTK-MTVMDMGHSA-N 305.334 -0.043 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)[C@@H](C)NS(C)(=O)=O)C1=O 281773665 RBANJMAGAXTGIA-NXEZZACHSA-N 303.384 -0.831 30 20 DBED Cn1cc(C[C@@H](NS(=O)(=O)c2ccc(C#N)o2)C(=O)O)cn1 287325130 VNJGJMSYGKSALO-SNVBAGLBSA-N 324.318 -0.141 30 20 DBED C=C[C@@H](CO)NC(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1 290692207 VCICGWFCHMXQSK-GWCFXTLKSA-N 302.334 -0.230 30 20 DBED N#Cc1c(F)cccc1S(=O)(=O)N1C[C@H](O)[C@@H](CO)C1 317653433 LXRSCTWUKQMWKV-KCJUWKMLSA-N 300.311 -0.329 30 20 DBED CO[C@H]1C[C@@H](/C(O)=N/CCN2CCS(=O)(=O)CC2)N(C)C1 328945070 LYMUVSLALDJZMM-RYUDHWBXSA-N 319.427 -0.608 30 20 DBED CN1CCN(CCC(C)(C)/N=C(/O)Cn2ncn(C)c2=O)CC1 329963871 QEXHTPFWECEBKQ-UHFFFAOYSA-N 324.429 -0.046 30 20 DBED CN1C[C@H](/N=C(/O)N2CCN(C)[C@@H](c3nccn3C)C2)CC1=O 329965373 RBITWAJZPYFPCD-VXGBXAGGSA-N 320.397 -0.147 30 20 DBED CC(C)C/N=C(/O)NC(=O)CN1CCN(C(=O)[C@@H](C)O)CC1 330596114 XXYSDAXDOUUKJY-LLVKDONJSA-N 314.386 -0.802 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)Nc2cc3n(n2)CCCC3)CCO1 332325329 PGWIVTBYYFSJPC-NSHDSACASA-N 303.322 -0.091 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)NC[C@@H]2CCCC[C@H]2O)CCO1 337073280 QBBCEYJWBQSYNQ-QJPTWQEYSA-N 303.384 -0.404 30 20 DBED C=CCN1CC[C@@H](N(CCOC)[C@@H]2CCS(=O)(=O)C2)C1=O 337191256 TUUQYFPGGAOQPJ-CHWSQXEVSA-N 316.423 -0.091 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2C=C[C@@H](CO)C2)C1=O 341926718 VNGLAKCCPWQEHL-NXEZZACHSA-N 307.306 -0.984 30 20 DBED N#CCCn1ccc(NC(=O)c2ccc(S(N)(=O)=O)cn2)n1 344820752 IHDHLBDPXLCXKK-UHFFFAOYSA-N 320.334 0.091 30 20 DBED N#Cc1ccc(NC(=O)C(=O)NCC(=O)N2CCOCC2)cc1 345677781 XSSICZRUPIUSHF-UHFFFAOYSA-N 316.317 -0.528 30 20 DBED Cc1cc(NC(=O)C(=O)NCC[C@@H](O)C(C)C)nn1CCC#N 349287284 VGVVDPZIMMJOPW-GFCCVEGCSA-N 321.381 0.567 30 20 DBED N#Cc1cc(Cl)ccc1S(=O)(=O)N[C@@H](CO)C(N)=O 352618521 PGQPMFDJEDVXLC-QMMMGPOBSA-N 303.727 -0.664 30 20 DBED COCCC(=O)N1CCN(S(=O)(=O)CC2(C#N)CC2)CC1 353788104 BKBRNKPXQGDFCB-UHFFFAOYSA-N 315.395 -0.199 30 20 DBED N#Cc1ccc(NC(=O)C(=O)N2C[C@H](O)C[C@@H]2CO)cc1F 354471539 SOHOIQIMYMVJJO-GHMZBOCLSA-N 307.281 -0.410 30 20 DBED C=CCN(C)C(=O)C(=O)N[C@H]1CCOC[C@@H]1OCCOC 360199739 NQBICNLOQGLNIG-RYUDHWBXSA-N 300.355 -0.433 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)NCc2nccc(N)n2)cc1 361478614 XVWYPVSBNMGSBO-UHFFFAOYSA-N 310.317 -0.023 30 20 DBED C=CCNC(=O)CNC(=O)NCc1nc(C(F)(F)F)n[nH]1 361699671 CCFAOAAUYJRRJG-UHFFFAOYSA-N 306.248 -0.075 30 20 DBED N#CCNC(=O)CNC(=O)N1CC(Oc2ccc(C#N)cc2)C1 377048592 UHTMONMODOOMGC-UHFFFAOYSA-N 313.317 -0.029 30 20 DBED C[C@H](O)CN1CCN(S(=O)(=O)N(C)[C@H](C)CC#N)[C@@H](C)C1 407976091 SHWAGOKZILZBLI-AGIUHOORSA-N 318.443 -0.148 30 20 DBED CC#CCCNC(=O)C(=O)Nc1cccc(S(N)(=O)=O)c1 440722323 OXLJMJQVEIPOAP-UHFFFAOYSA-N 309.347 -0.198 30 20 DBED C=C[C@@H](C)NC(=O)C(=O)Nc1cnn(CCN2CCOCC2)c1 446799164 KOSZIGBLDCLILH-GFCCVEGCSA-N 321.381 -0.156 30 20 DBED C#C[C@@H](NC(=O)C1CCN(S(=O)(=O)NC)CC1)C(C)C 491180579 MSDHUDYHSUGXIX-GFCCVEGCSA-N 301.412 -0.063 30 20 DBED C#CCNC(=O)CN1CCN([C@H]2CCN(CC=C)C2=O)CC1 491193184 WPFCXCAIAZGAQT-AWEZNQCLSA-N 304.394 -0.860 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2ccc(C(C)=O)o2)CC1 491700283 CXQXJDBJCFKYIP-UHFFFAOYSA-N 317.345 -0.011 30 20 DBED C#CCNC(=O)CN1CCN(Cc2nc([C@@H](C)OC)no2)CC1 491723743 DGARSZUCCRBOHF-GFCCVEGCSA-N 321.381 -0.356 30 20 DBED C#CCNC(=O)c1ccc(N[C@@H]2CCN(S(C)(=O)=O)C2)nc1 491782858 OJZOMJSIHRZEJD-GFCCVEGCSA-N 322.390 -0.110 30 20 DBED O=C1NC(=O)N2CCN(C(=O)NCC#Cc3ccccc3)C[C@@H]12 545413579 XVGMENYHRDGVNW-ZDUSSCGKSA-N 312.329 -0.016 30 20 DBED N#Cc1cc(F)c(S(=O)(=O)N2C[C@@H](CO)[C@@H](O)C2)c(F)c1 563435251 HFWBSAWFLRLYQJ-KWQFWETISA-N 318.301 -0.190 30 20 DBED CC(C)[C@H]1CNCCN1C(=O)C(=O)Nc1ccn(CCC#N)n1 599888488 GEQAPJCKFJXEHH-GFCCVEGCSA-N 318.381 0.192 30 20 DBED C[C@H]1COCCN1CCNC(=O)NC1CCN(CC#N)CC1 609339882 DQARDFJXCGHVBC-ZDUSSCGKSA-N 309.414 -0.006 30 20 DBED N#C[C@H]1CN(S(=O)(=O)N2CCC[C@H](CCO)C2)CCO1 619710449 QJYBYABPQBANJB-NEPJUHHUSA-N 303.384 -0.450 30 20 DBED C#CCCCS(=O)(=O)N1CCO[C@](COC)(C(=O)O)C1 710582204 YWKMBSOGHLTYPB-GFCCVEGCSA-N 305.352 -0.468 30 20 DBED COc1cccc(C(=O)NCC(=O)OCC(=O)NCC#N)c1 731239408 OMYGZJYPCYTCMO-UHFFFAOYSA-N 305.290 -0.392 30 20 DBED C[C@@H](OC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C(=O)O 737708106 ULSDQWCDIBHMES-SSDOTTSWSA-N 312.303 -0.259 30 20 DBED CC(C)(C)NC(=O)CNC(=O)Cn1ccc(C=NO)nc1=O 772898649 OSNWEFNCYPNZHT-UHFFFAOYSA-N 309.326 -0.918 30 20 DBED C#C[C@@H](NCc1nc2c(=O)n(C)c(=O)n(C)c2[nH]1)[C@H]1CCCO1 775796389 XTNMIOVGYWSFIS-NXEZZACHSA-N 317.349 -0.769 30 20 DBED C=CCN1CC[C@@H](OC(=O)C(C)(C)NS(C)(=O)=O)C1=O 798632846 RMHSEHQJDSZJKQ-SECBINFHSA-N 304.368 -0.356 30 20 DBED COC(=O)C[C@H](NS(=O)(=O)N1CCO[C@H](C#N)C1)C1CC1 800076547 QXVVPPJCNZIFLB-MNOVXSKESA-N 317.367 -0.613 30 20 DBED CCN(CCC#N)S(=O)(=O)N(C)CCS(=O)(=O)CC 800095937 QLRYZTDNXGLGJK-UHFFFAOYSA-N 311.429 -0.167 30 20 DBED C[C@@H](C#N)OCCN1CCN(S(=O)(=O)c2cc[nH]n2)CC1 809988856 RKLCNDKMRHROJD-NSHDSACASA-N 313.383 -0.355 30 20 DBED C#CCNS(=O)(=O)c1ccc(C(=O)O[C@H](C)C(N)=O)cc1 811831444 KSOJDSBCVOKNFE-SECBINFHSA-N 310.331 -0.371 30 20 DBED O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CC[C@H](C(=O)O)C1 819691537 OQEOFRJQALNSFE-XRNDOFNESA-N 307.306 -0.164 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N[C@@H](C)C[S@](C)=O 829181382 DSWHVZRPEVASMC-YBTHPKLGSA-N 302.396 -0.632 30 20 DBED CC(C)(C#N)CS(=O)(=O)NC(=O)c1cnc(C(=O)O)cn1 833412540 BDWZEBOBNSJHOK-UHFFFAOYSA-N 312.307 -0.216 30 20 DBED N#C[C@H]1CNC[C@H]1NC(=O)Cn1cnc2sccc2c1=O 843463694 XOTXTQLBVCJCRC-WCBMZHEXSA-N 303.347 -0.314 30 20 DBED CNS(=O)(=O)NC1CCN(C(=O)c2ccc(C#N)o2)CC1 846055152 DSAUAPULWKGENC-UHFFFAOYSA-N 312.351 -0.190 30 20 DBED C#C[C@H](NC(=O)c1cc(S(N)(=O)=O)cnc1C)[C@@H]1CCCO1 847758834 ORNBLOXJZXPBKA-STQMWFEESA-N 323.374 -0.052 30 20 DBED C#CCCN(CCOC)C(=O)NCCC(=O)N1CCOCC1 853279418 QLGHAQWHCHSDPK-UHFFFAOYSA-N 311.382 -0.083 30 20 DBED Cn1c(N)c(C=NNc2ccccc2C(=O)O)c(=O)n(C)c1=O 864890942 YVLLHYBUEZQMRU-UHFFFAOYSA-N 317.305 -0.190 30 20 DBED CCn1nc(C)c(C=NN2C(=O)[C@@H]3[C@H]4C=C[C@@H](O4)[C@@H]3C2=O)n1 872427098 BMEFCIZRXDDZII-KKOKHZNYSA-N 301.306 -0.121 30 20 DBED CCC#CCOC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 893838857 RXYOIAYRMZQSPT-NEPJUHHUSA-N 313.375 -0.021 30 20 DBED C#CC1(O)CN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)C1 908229767 UGGIKNRATTZNNP-UHFFFAOYSA-N 308.315 -0.614 30 20 DBED CC[C@@H](C)NC(=O)CN1CCN(C(=O)NCC#CCO)CC1 923787379 IDCJCSHHCVYQSK-CYBMUJFWSA-N 310.398 -0.776 30 20 DBED Cn1cc(C(=O)N[C@H]2CCN(C(=O)C#CC3CC3)C2)ncc1=O 938419806 FOZCHWZWPYMETC-LBPRGKRZSA-N 314.345 -0.476 30 20 DBED CO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1NC(=O)c1cnc(O)n1C 944413813 BDONKQNMPNZFQD-FXPVBKGRSA-N 321.337 -0.759 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(N(C)C(=O)[C@@H]2CNC(=O)N2)CC1 954244940 BOWNAIZZLWGFDT-ONGXEEELSA-N 307.354 -0.723 30 20 DBED N#CCN1C[C@@H](O)[C@@H](CNC(=O)c2ccnc3[nH]cnc23)C1 958100921 IYHQBNFESYNIBA-GXSJLCMTSA-N 300.322 -0.496 30 20 DBED CC#CCN1C[C@@H](O)[C@@H](CNC(=O)c2c(C)nnn2CC)C1 958131280 RBYZTBPNQRFENN-QWHCGFSZSA-N 305.382 -0.348 30 20 DBED Cn1cnc2cc(C(=O)NC[C@H]3CN(CC#N)C[C@H]3O)cnc21 958318530 DURVLMPKQIQQSQ-WCQYABFASA-N 314.349 -0.486 30 20 DBED CC#CCN1C[C@H](CNC(=O)c2ccc3nncn3c2)[C@@H](O)C1 958480447 AXRAGGNSNBDVRC-KBPBESRZSA-N 313.361 -0.225 30 20 DBED Cc1nc[nH]c1C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H](C)C#N 960878009 IWSNYABAWRESCM-ZMLRMANQSA-N 317.349 -0.070 30 20 DBED C=C(C)CN1C[C@H]2[C@H](NC(=O)[C@@H]3Cc4cncn4C(=O)N3)[C@H]2C1 961311162 HZOVTYPKTZKNHF-RFQIPJPRSA-N 315.377 -0.012 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)CN3CCCC3=O)[C@@H]2C1 971259362 UFYHDBJYRNWNSL-YNEHKIRRSA-N 318.377 -0.172 30 20 DBED CN1CC(=O)N(CC(=O)N2C[C@H]3CC[C@H]2CN3CC#N)C1=O 972091668 QCICIXGIZQFZKM-MNOVXSKESA-N 305.338 -0.921 30 20 DBED CC#CCN1CCO[C@@]2(CCN(C(=O)[C@H]3CCC(=O)N3)C2)C1 972302912 ZHWYHQZIEAKHBK-CJNGLKHVSA-N 305.378 -0.408 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCN3C(C)=O)C2)C1 972644364 XEYRIZYRSHWHGX-RDJZCZTQSA-N 319.405 -0.066 30 20 DBED CN(CC#N)[C@@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)C1 972720865 NLGHLMUKULSMJH-SECBINFHSA-N 301.310 -0.913 30 20 DBED C#CCCN1C[C@@H](NC(=O)CN2CCN(C)C(=O)C2)C(C)(C)C1 974749030 GCVWULYLUZMRLQ-CQSZACIVSA-N 320.437 -0.390 30 20 DBED Cn1ncc(C(=O)N[C@H]2[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]32)c1N 976389218 VFWYVIRIVZYMSM-IMRBUKKESA-N 313.361 -0.398 30 20 DBED C#CCN1CCC(C(=O)N[C@H]2[C@@H]3CN(C(=O)COC)C[C@@H]32)CC1 976656737 SJHGQUJWNYPJEC-FOLVSLTJSA-N 319.405 -0.449 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1[C@@H]2CN(C(=O)COC)C[C@@H]21 976738924 FPOVUUVRZNRZED-SFDCQRBFSA-N 305.378 -0.697 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)c3cnc(O)n3C)[C@H]2C1 976959488 YFCOJTUSLMGXRZ-WYOJIJJFSA-N 303.322 -0.528 30 20 DBED Cc1nonc1CC(=O)N[C@H]1[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]21 977108596 YLJDQLDLZZVDKI-UFAOYGAJSA-N 303.322 -0.347 30 20 DBED C#CCN1C[C@@]2(C)CN(C(=O)C[C@@H]3NC(=O)NC3=O)C[C@@]2(C)C1 982298829 NWPVAYFBGFAHFH-KNXALSJPSA-N 318.377 -0.612 30 20 DBED C#CCN(C)C1CCN(C(=O)CCc2nnc(O)nc2O)CC1 985515012 MTCQGLBXUAXCTE-UHFFFAOYSA-N 319.365 -0.229 30 20 DBED C[C@@H]1[C@@H](NC(=O)c2nnn(C)n2)CCN1C(=O)C#CC1CC1 989333903 JRPQQHWJLQTDGQ-KOLCDFICSA-N 302.338 -0.657 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC(NC(=O)Cn2cccn2)C1 990243054 LQMYUOAABUHBHJ-AWEZNQCLSA-N 315.377 -0.692 30 20 DBED Cc1ccn(CC(=O)NC2CN(C(=O)[C@@H](C)C#N)C2)c(=O)c1 991601246 NTNSGARKPZBCOW-NSHDSACASA-N 302.334 -0.357 30 20 DBED CC#CCN1CCC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@@H]1C 993332047 GPHAVXLEIOMEEY-NWDGAFQWSA-N 318.381 -0.631 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)Cc3cnn(C)c3)C2)nc1 997088589 UWYYRPUKLIPORB-UHFFFAOYSA-N 323.356 -0.020 30 20 DBED CCn1nc(C(=O)NC2CN(C(=O)[C@@H](C)C#N)C2)ccc1=O 997781447 XUTGNFLKPODFLH-VIFPVBQESA-N 303.322 -0.637 30 20 DBED C[C@H](C#N)C(=O)N1CC(NC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1 999797019 AFMWWEZXSUZFCG-JLLWLGSASA-N 322.365 -0.891 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2C[C@H](C)N(C(=O)C(N)=O)C2)nc1 1010286153 UYJXNCLHISONMI-JQWIXIFHSA-N 314.345 -0.485 30 20 DBED Cn1nnc(C(=O)N2CCN(C(=O)c3ccc(C#N)[nH]3)CC2)n1 1011019998 FVEXPSZYEHGXCD-UHFFFAOYSA-N 314.309 -0.992 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C(=O)c2nccnc2C(N)=O)CC1 1011119580 QYZHRXFQALDUCE-SECBINFHSA-N 316.321 -0.980 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCN(Cc2nnnn2C)C1 1015826749 HBKGCPMVWYTEFS-DYEKYZERSA-N 320.397 -0.118 30 20 DBED N#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)CN2C(=O)CNC2=O)C1 1021729997 JLJFVXPKHCFMHQ-NWDGAFQWSA-N 319.365 -0.625 30 20 DBED CCn1ccc(CC(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2O)n1 1023986986 RWEXMSHWOULHAW-RAIGVLPGSA-N 319.365 -0.707 30 20 DBED CC(C)c1cc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2O)n[nH]1 1025767450 PBYNEMWKXRKIRW-OASPWFOLSA-N 319.365 -0.006 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)[C@H]1CN(C)C(=O)N1 1026625189 QVBWKVYYKUVREV-RAIGVLPGSA-N 318.377 -0.614 30 20 DBED Cn1nnc(CN2CC[C@@H](CNC(=O)c3c[nH]c(C#N)c3)C2)n1 1028488910 KHJUAMBXJGUMGF-JTQLQIEISA-N 314.353 -0.338 30 20 DBED N#CCN1CCC2(CCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)CC2)C1 1035231199 JSRUSMIJPRURJO-NSHDSACASA-N 319.365 -0.577 30 20 DBED CN(C)C(=O)CN1CCO[C@@H](CNC(=O)c2c[nH]c(C#N)c2)C1 1035335974 FXPVFKFVDNHLTD-ZDUSSCGKSA-N 319.365 -0.595 30 20 DBED C#CCCN1CCO[C@@H](CNC(=O)[C@@H]2CCCN(C(N)=O)C2)C1 1035434314 DYLWHYAFBHBGLY-KGLIPLIRSA-N 322.409 -0.383 30 20 DBED C#CCCN1CC[C@@H]2CN(C(=O)Cn3cnnc3O)CC[C@@H]21 1036693516 XVRBCNDRYXLKBM-OLZOCXBDSA-N 303.366 -0.070 30 20 DBED C=CCN1CC[C@H]1CNC(=O)c1cn(CC(=O)N(C)C)nn1 1039052170 JWFBKXVTSQUAPU-NSHDSACASA-N 306.370 -0.644 30 20 DBED C[C@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)c2ccn(C)n2)C1 1040761161 BRWQWOYVBOTURQ-YGRLFVJLSA-N 305.338 -0.727 30 20 DBED C[C@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)c2cnsn2)C1 1040762388 IFANUCIYCMDMCC-PELKAZGASA-N 309.351 -0.609 30 20 DBED Cc1cnc(C(=O)N2CC[C@@](O)(CNC(=O)[C@H](C)C#N)C2)cn1 1040764849 ZQMSLUSVVNZYBZ-MEBBXXQBSA-N 317.349 -0.362 30 20 DBED Cc1cnoc1C(=O)NC[C@]1(O)CCN(C(=O)[C@@H](C)C#N)C1 1040787601 JHVSMRBZNOSKCA-LKFCYVNXSA-N 306.322 -0.164 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)c2cc(C)on2)C1 1041365770 VNKGFBHTBYPMHR-UHFFFAOYSA-N 309.322 -0.511 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(O)(CNC(=O)COCCC)C1 1041862513 XFPBLRRKNZGZCP-AWEZNQCLSA-N 314.382 -0.570 30 20 DBED C=CCCCC(=O)N1CC(O)(CNC(=O)c2nccnc2N)C1 1042178700 PITRODBMUQQYBE-UHFFFAOYSA-N 319.365 -0.282 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)C[C@@H]2CCOC2)C1 1042258124 BLZDAOPEQDCXHC-OLZOCXBDSA-N 324.377 -0.859 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(O)(CNC(=O)c2ncc[nH]2)C1 1042931482 PTBPNOLCCOUNPK-ZDUSSCGKSA-N 308.338 -0.960 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)[C@@H](C2CC2)N(C)C)C1 1043463050 NCXNGLSNHLQXPO-CQSZACIVSA-N 309.410 -0.018 30 20 DBED C=C(C)CCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCCNC2=O)C1 1043471728 LCQRYXPZZGGWPU-GFCCVEGCSA-N 323.393 -0.442 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)CCc2cnc[nH]2)C1 1043524281 DSOOCNFTPUASCN-SNVBAGLBSA-N 305.338 -0.809 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)[C@@H](C)OCC=C)C1 1043574988 IQNSRZLLUXDHTN-CYBMUJFWSA-N 324.377 -0.693 30 20 DBED C#CCN[C@@H]1CCN(C(=O)CN2CCN(C)C(=O)C2)[C@@H](C)C1 1044655996 FLNRAMOYYHSNFR-UONOGXRCSA-N 306.410 -0.637 30 20 DBED C=CCCCC(=O)NCC1(O)CN(C(=O)c2cn(C)c(O)n2)C1 1045454866 FABQESGIBRJBHT-UHFFFAOYSA-N 322.365 -0.215 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cccnc2)C1 1048016465 LBAPBRCPMXVPMH-KBPBESRZSA-N 319.361 -0.072 30 20 DBED CN(C(=O)C#CC1CC1)[C@H]1CN(C(=O)CSCC#N)C[C@@H]1O 1048821650 WGROWMDTGSOBRK-STQMWFEESA-N 321.402 -0.313 30 20 DBED COc1c[nH]c(C(=O)N2C[C@@H]3CN(CC#N)C[C@@H]3C2)cc1=O 1048937161 LSOBWYQBHPKOFR-PHIMTYICSA-N 302.334 -0.089 30 20 DBED C=CCCOCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2nc[nH]n2)C1 1049197093 ZNCWIPRHBCYIDP-QWRGUYRKSA-N 323.353 -0.959 30 20 DBED Cn1cc(C(=O)N2CCC[C@H]3CN(CC#N)C[C@H]32)c(O)nc1=O 1050199881 DQIPEIOKQRLDPB-CMPLNLGQSA-N 317.349 -0.454 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)[C@@H]1CCc2nncn2CC1 1051033491 HRQHVHLYCDGWMY-KGLIPLIRSA-N 317.393 -0.319 30 20 DBED COc1nccc(CNC[C@H]2CN(C(=O)[C@H](C)C#N)CCO2)n1 1051496007 ZRALBWTVNGTFOP-YPMHNXCESA-N 319.365 -0.038 30 20 DBED CCCN1C[C@@H](C(=O)N2CCOC3(CN(CC#N)C3)C2)CC1=O 1053451423 GURNTCFXSFBCNQ-ZDUSSCGKSA-N 320.393 -0.318 30 20 DBED C=CCN1CC2(C[C@@H](NC(=O)C3CS(=O)(=O)C3)CO2)C1 1053814088 HEWFYFFGRWNAQH-LLVKDONJSA-N 300.380 -0.824 30 20 DBED C[C@@H]1CN(C(=O)c2ccc(-n3cnnn3)cn2)C[C@H]1NCC#N 1054930859 UQRJZIJRVILPRU-ZWNOBZJWSA-N 312.337 -0.369 30 20 DBED C[C@H](C#N)C(=O)NCCN1CCC(NC(=O)[C@H]2CCOC2)CC1 1055630313 YZWHSLNVMYJXIS-OLZOCXBDSA-N 322.409 -0.121 30 20 DBED N#Cc1ccc(N2CCN(C(=O)[C@H]3CCNC(=O)C3)CC2)nn1 1055752931 CHSAIBBCNGTTRI-NSHDSACASA-N 314.349 -0.477 30 20 DBED N#Cc1cnc(N2C[C@H]3C(NC(=O)c4cncnc4O)[C@@H]3C2)cn1 1056330643 VGDDWLDJYNMHDN-GHMZBOCLSA-N 323.316 -0.292 30 20 DBED C=CCO[C@H](C)C(=O)NCCN(CCO)C(=O)[C@H]1CCCO1 1056897995 NNHNADZNNAEVQR-CHWSQXEVSA-N 314.382 -0.306 30 20 DBED COCCCC(=O)N(CCO)CCNC(=O)CSCC#N 1057080333 MUICBUKCAAKULU-UHFFFAOYSA-N 317.411 -0.393 30 20 DBED C=CCO[C@H](C)C(=O)NCCN(CCO)C(=O)COCCC 1057143001 SERQCMLJTLJQHP-CYBMUJFWSA-N 316.398 -0.059 30 20 DBED C#CCOCCC(=O)NCCN(CCO)C(=O)c1cn(C)cn1 1057347279 RXIQUCCCAZGBDG-UHFFFAOYSA-N 322.365 -0.989 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)C[C@@H](C)n1ccnc1 1057609370 GTQIFRSLJXORRE-CHWSQXEVSA-N 321.381 -0.069 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCN(CCO)C(=O)c1cc[nH]c1 1057842241 QSTHRQAQIOAVJF-OAHLLOKOSA-N 309.366 -0.108 30 20 DBED CN1C[C@@H](C(=O)N[C@@H]2CCN(c3ccnc(C#N)n3)C2)NC1=O 1058504221 JUNLCUKYYJENIW-ZJUUUORDSA-N 315.337 -0.933 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)CCn1cccc1 1058545672 CEWXKIMWMGEDAC-CYBMUJFWSA-N 306.366 -0.025 30 20 DBED CN1C[C@@H](C(=O)N[C@@H]2CCN(c3ccc(C#N)nn3)C2)CC1=O 1058578484 VGFWYRCTCYAEDO-CMPLNLGQSA-N 314.349 -0.479 30 20 DBED CN1CCOC[C@H]1C(=O)N[C@H]1C[C@H](N=c2cc[nH]cc2C#N)C1 1059187049 SQDYHNOZTCHHAD-YDHLFZDLSA-N 315.377 -0.235 30 20 DBED C=CCOCC(=O)N1CC[C@H](CCNC(=O)C2(C(N)=O)CC2)C1 1059337672 NGZMAHFAFSTXMR-LBPRGKRZSA-N 323.393 -0.191 30 20 DBED CN(c1ccc(C#N)nn1)[C@H]1CCCN(C(=O)CC(N)=O)C1 1061182900 SOMDNRCVOQCECX-NSHDSACASA-N 302.338 -0.349 30 20 DBED C=CCCC(=O)NC[C@H]1COCCN1C(=O)CNC(=O)CC 1061407163 NKTDRTLGGJEJDE-LBPRGKRZSA-N 311.382 -0.178 30 20 DBED C=C(C)CCC(=O)NC[C@@H]1COCCN1C(=O)c1nnn(C)n1 1061632924 KVZCAMUOUYRGEB-LLVKDONJSA-N 322.369 -0.476 30 20 DBED Cc1ncc(C(=O)N2CCOC[C@@H]2CNC(=O)[C@@H](C)C#N)[nH]1 1061845776 LAWXFSPEIMSFEI-ONGXEEELSA-N 305.338 -0.165 30 20 DBED C=C(C)CCC(=O)N1CCOC[C@@H]1CNC(=O)Cn1cncn1 1061917728 NJAUHWFKHSEFNT-ZDUSSCGKSA-N 321.381 -0.022 30 20 DBED N#Cc1ccc(N2C[C@@H]3C[C@H]2CN3C(=O)Cc2nc[nH]n2)nn1 1062528511 YWTJNOPMOZQMHB-QWRGUYRKSA-N 310.321 -0.501 30 20 DBED N#Cc1nccnc1N1CCO[C@H](CNC(=O)c2cnon2)C1 1063639146 NDDUDVJNYWIAHA-SECBINFHSA-N 315.293 -0.634 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H]1CN(C(=O)[C@H](C)CC)CCO1 1064870113 HGTZPEOLMGMFMS-OLZOCXBDSA-N 323.393 -0.484 30 20 DBED C=CCOCC(=O)N1CCO[C@@H](CNC(=O)Cc2cc[nH]n2)C1 1064976727 ORZCIGBHLIGQBH-ZDUSSCGKSA-N 322.365 -0.502 30 20 DBED N#Cc1cncc(N2CC[C@@]3(CCCN(C(=O)C(N)=O)C3)C2)n1 1066869549 CJNCRJGHZLVUEC-HNNXBMFYSA-N 314.349 -0.348 30 20 DBED N#Cc1cncc(N2C[C@H](CNC(=O)c3ccccn3)[C@@H](O)C2)n1 1067642546 GHNLNQUYQKMEOG-FZMZJTMJSA-N 324.344 -0.030 30 20 DBED N#Cc1cnccc1N1C[C@H](O)[C@H](CNC(=O)c2cccnn2)C1 1067678854 VZAWADXAPNALNR-DOMZBBRYSA-N 324.344 -0.030 30 20 DBED Cn1nncc1C(=O)NCC1[C@H]2CN(c3cnc(C#N)cn3)C[C@H]12 1068172138 KVEYWKMQHRAOFK-VXGBXAGGSA-N 324.348 -0.411 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H]1COC2(C1)CN(C(=O)COCC)C2 1068869490 ZGUSOXBOFIIGKG-CHWSQXEVSA-N 324.377 -0.453 30 20 DBED C#CCO[C@@H](C)C(=O)NC1(CNC(=O)COC)CCOCC1 1070118736 ZVKMAHSQZPFBGF-LBPRGKRZSA-N 312.366 -0.547 30 20 DBED C#CCN[C@@H]1CN(C(=O)CCc2ccon2)C[C@@H]1n1ccnn1 1070233187 DKDULKUZASXOLF-KGLIPLIRSA-N 314.349 -0.126 30 20 DBED C#CCOCCC(=O)N1CCC[C@@H](NC(=O)[C@H]2CCC(=O)N2)C1 1070729195 CGKVXXGYSYCZBC-CHWSQXEVSA-N 321.377 -0.588 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)c2coc(C)n2)CC1 1070956293 KPFTULZZBBFKBB-UHFFFAOYSA-N 304.350 -0.120 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(C(=O)CCn2cnnn2)C[C@@H]1C 1072599037 FATWVXXBBMNBJW-QWHCGFSZSA-N 318.381 -0.170 30 20 DBED CC#CCN1CCO[C@H]2CCN(C(=O)c3cc(=O)n(C)o3)C[C@H]21 1074219436 PKJWYJGUNSUYPK-OLZOCXBDSA-N 319.361 -0.083 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)CCN3CCOCC3)C[C@H]21 1074359304 DBQCXHPWEUXKEO-CVEARBPZSA-N 321.421 -0.356 30 20 DBED C=CCN1CC[C@@H](N[C@H]2CCN(C(=O)CC(N)=O)[C@H]2C)C1=O 1074575090 WBFYORNSUVRYNT-SDDRHHMPSA-N 308.382 -0.772 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)CCCC(C)=O 1075597956 UPSOCWJBANAODB-LBPRGKRZSA-N 323.393 -0.104 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCn3c(cnc3C)C2)C1 1077683103 ZMAZWZMRACXUPL-FVQBIDKESA-N 316.405 -0.061 30 20 DBED CCN(C(=O)C#CC1CC1)C1CN(C(=O)[C@H]2CNC(=O)N2)C1 1079739560 XXTALUDMBJDZBM-GFCCVEGCSA-N 304.350 -0.860 30 20 DBED CNC(=O)CC(=O)N1CCC(CO)(NC(=O)C#CC(C)C)CC1 1080850829 IGOHHZSAMVGJQY-UHFFFAOYSA-N 323.393 -0.748 30 20 DBED C[C@H](C#N)C(=O)NC1(CO)CCN(C(=O)c2cnnn2C)CC1 1080979837 BZAUFTMLXPWPCL-SNVBAGLBSA-N 320.353 -0.942 30 20 DBED C#CCCCC(=O)N1C[C@H](CNC(=O)c2ccnn2C)[C@@H](O)C1 1081320816 IEHMCTJVRZFIFA-JSGCOSHPSA-N 318.377 -0.227 30 20 DBED C=CCCCC(=O)NC[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1O 1081703718 UCPHKVQJSSRMLT-VXGBXAGGSA-N 321.381 -0.280 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1ccc2nnc(O)n2c1 1082230965 WTQIXAXPAYWNNA-GHMZBOCLSA-N 316.321 -0.613 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2CN([C@@H](C)COC)C[C@@H]2O)c1 1083765572 KFGKCUCVOBVCTF-GLQYFDAESA-N 303.362 -0.127 30 20 DBED Cn1cc([C@@H]2CN(C(=O)c3cncn3C)C[C@H]2NCC#N)cn1 1086986482 RCMWRAGYMNKAAB-QWHCGFSZSA-N 313.365 -0.125 30 20 DBED N#CCN1C[C@H]2CC[C@H]1[C@@H]1CN(C(=O)C3(C(N)=O)CC3)C[C@@H]21 1087384446 HEKUCWAIAIWLHT-XQHKEYJVSA-N 302.378 -0.056 30 20 DBED N#Cc1nccnc1NCC1(CCNC(=O)CC(N)=O)CC1 1089921697 BVCLVQNNWZGPMM-UHFFFAOYSA-N 302.338 -0.078 30 20 DBED CCO[C@H](C)C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1O 1090392322 TYDPXIUFKIVQCS-YUSALJHKSA-N 305.338 -0.561 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2ccnc3c2nnn3C)[C@H](O)C1 1090522449 JATNECGJSMVZFA-VXGBXAGGSA-N 314.349 -0.839 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CN(c2ccc(C#N)c(C)n2)C[C@@H]1O 1091063431 TZACURURNLIPNH-OLZOCXBDSA-N 317.349 -0.937 30 20 DBED CO[C@@H](C)CC(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@@H]1O 1091073302 OQTLFZLQZYDIHM-WCQGTBRESA-N 305.338 -0.561 30 20 DBED CCNC(=O)CC(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@@H]1O 1091095047 ACODMKXMPXRCSY-NEPJUHHUSA-N 317.349 -0.855 30 20 DBED CCN(CC)CC(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@@H]1O 1091108613 HHCUGGHVLVLXNV-OLZOCXBDSA-N 318.381 -0.644 30 20 DBED C#CCN1C[C@@H]2CN(C(=O)CN3C(=O)CCC3=O)C[C@]2(C)C1 1092259801 QURTUPMCBQSKJB-WBMJQRKESA-N 303.362 -0.451 30 20 DBED N#Cc1cncc(NCCNC(=O)[C@@H]2CCc3nn[nH]c3C2)n1 1093761167 TWRKXYNPNWWMTR-SECBINFHSA-N 312.337 -0.200 30 20 DBED C#CCCN1CC(n2cc(CNC(=O)c3cn(C)cn3)nn2)C1 1094285484 LCEKONWVKJZKRW-UHFFFAOYSA-N 313.365 -0.178 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)CN3CC[C@@H](C)C3)CC2=O)C1 1094787177 NJUSCXNSBXCNGC-KGLIPLIRSA-N 318.421 -0.637 30 20 DBED CN(CCCNC(=O)[C@@H]1CCC(=O)N1C)c1ccc(C#N)nn1 1095696580 GOGUGKCEOBUERF-LBPRGKRZSA-N 316.365 -0.088 30 20 DBED CC(C)(C(N)=O)C(=O)N[C@H]1C[C@H](N=c2cc[nH]c(C#N)n2)C1 1097076078 VLASSVOWLDAUQG-KYZUINATSA-N 302.338 -0.659 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cn1nc(C)n(C)c1=O 1098303068 QVEOTKKKRRLZSG-UPJWGTAASA-N 303.366 -0.755 30 20 DBED C[C@@H](CCNC(=O)[C@@H]1CN(C)CCO1)Nc1cnc(C#N)cn1 1098999259 VWZIFNGLXRORQV-AAEUAGOBSA-N 318.381 -0.014 30 20 DBED Cn1cc(CN2CC[C@@H](NC(=O)CSCC#N)[C@@H](O)C2)cn1 1099690628 RRRGYACMLHLCOM-OLZOCXBDSA-N 323.422 -0.272 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2cn(C)cn2)[C@@H](O)C1 1099766367 JXFNGPKXSTUBFG-JSGCOSHPSA-N 306.366 -0.765 30 20 DBED CC#CCN1CC[C@@H](NC(=O)COc2cc(C)on2)[C@@H](O)C1 1099884755 CBMNDICHBVPSQK-OLZOCXBDSA-N 307.350 -0.063 30 20 DBED CC#CCCCC(=O)N[C@H]1CCN(CC(=O)NCC#N)C[C@@H]1O 1099960195 PWGCTABFSAQLPD-KBPBESRZSA-N 320.393 -0.629 30 20 DBED Cc1nc(N(C)CCNC(=O)[C@@H]2CN(C)C(=O)N2)ccc1C#N 1100255420 PALOIYKHQXWBCL-LBPRGKRZSA-N 316.365 -0.162 30 20 DBED CN(CCNC(=O)CCc1cnn[nH]1)c1ccc(C#N)nn1 1100334837 WELSLPZOISILIU-UHFFFAOYSA-N 300.326 -0.348 30 20 DBED COCC(=O)N[C@H](C)C(=O)NCCN(C)c1cnc(C#N)cn1 1100378181 GUCAEYXJOCSKKD-SNVBAGLBSA-N 320.353 -0.948 30 20 DBED CCN(CCNC(=O)C[C@@H](C)NC(N)=O)c1cncc(C#N)n1 1100621463 CESPPOVFHQWZJT-SNVBAGLBSA-N 319.369 -0.262 30 20 DBED CN(CCNc1ccc(C#N)nn1)C(=O)[C@@H]1CCNC(=O)C1 1101548206 HOBVDYOPJRQXQP-SNVBAGLBSA-N 302.338 -0.255 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)CCCC(N)=O)c3nccn32)C1 1101654379 QHLQCRFRXMIUDW-LBPRGKRZSA-N 315.377 -0.256 30 20 DBED COCCCOCC(=O)N(C)CCN=c1cc[nH]c(C#N)n1 1101763387 FTVMRQFMAADAHC-UHFFFAOYSA-N 307.354 -0.306 30 20 DBED CN(C(=O)CS(C)(=O)=O)[C@H]1CCN(c2nccnc2C#N)C1 1102684447 XVLWXVYYEGGFCS-JTQLQIEISA-N 323.378 -0.570 30 20 DBED CN(C(=O)CCNC(N)=O)[C@H]1CCN(c2ccnc(C#N)n2)C1 1102709975 QPMJSIJNOPJUAE-JTQLQIEISA-N 317.353 -0.556 30 20 DBED CC[C@@H](CNC(=O)CCn1cnnn1)N=c1cc[nH]cc1C#N 1103173748 PLFDKPFMTYOLSH-LBPRGKRZSA-N 314.353 -0.241 30 20 DBED CC[C@H](CNC(=O)Cn1ncnn1)Nc1ccc(C#N)cn1 1103207710 KBCAIKIXNYYLHV-LLVKDONJSA-N 300.326 -0.053 30 20 DBED CC[C@@H](CNC(=O)[C@@H]1CCC(=O)N1C)N=c1cc[nH]c(C#N)n1 1103275254 GNMRSUMUTYKSOQ-QWRGUYRKSA-N 316.365 -0.302 30 20 DBED C#CCN1C[C@@H](C)[C@H](CCNC(=O)C2CC(=O)NC(=O)C2)C1 1103532945 ZEMNMJXKDBQZGK-VXGBXAGGSA-N 305.378 -0.253 30 20 DBED C#CCNCC[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@H]1C 1104803950 BNDXIDVGGQAODW-VXGBXAGGSA-N 306.366 -0.754 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H](O)CNC(=O)CCc1nc[nH]n1 1105784634 MBYKBUUYXJWFGM-LLVKDONJSA-N 315.337 -0.985 30 20 DBED COCC[C@@H](C)C(=O)NC[C@H](O)CN=c1cc[nH]cc1C#N 1105859518 BZNKGUGPEXKSJB-DGCLKSJQSA-N 306.366 -0.063 30 20 DBED C[C@H]1CCCN1CC(=O)NC[C@@H](O)CNc1ccc(C#N)nn1 1106107780 DPAYQAWKDIVZMZ-AAEUAGOBSA-N 318.381 -0.278 30 20 DBED C[C@H](CCN=c1cc[nH]cc1C#N)NC(=O)CS(C)(=O)=O 1106238956 IJXGKSMJIDDFKF-SNVBAGLBSA-N 310.379 -0.274 30 20 DBED C=CCNC[C@@H]1CN(C(=O)Cn2ccc(O)nc2=O)C[C@H]1C 1106387368 MCIPLNDWYZEHGA-VXGBXAGGSA-N 306.366 -0.181 30 20 DBED C[C@H](CNc1cncc(C#N)n1)NC(=O)[C@@H]1CN(C)C(=O)N1 1108041122 DAXOMDQZLDLPPI-SCZZXKLOSA-N 303.326 -0.712 30 20 DBED C#CCCN1CC(N2C[C@@H](NC(=O)[C@@H](C)OCC)CC2=O)C1 1108513212 DAAQQBPYKDZIAP-OLZOCXBDSA-N 307.394 -0.164 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)c1cccn2nnnc12 1108558926 XJQGHEFFOMHRQH-VIFPVBQESA-N 323.320 -0.562 30 20 DBED C[C@@H](CC(N)=O)C(=O)N[C@H](C)CN(C)c1nccnc1C#N 1109205941 QROGXDCBVSELBE-VHSXEESVSA-N 304.354 -0.199 30 20 DBED CC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCNS(C)(=O)=O 1109365659 WXEIBMHSZOYVES-AGIUHOORSA-N 313.423 -0.330 30 20 DBED C[C@H](CC(N)=O)C(=O)N[C@]1(C)CCN(c2cnc(C#N)cn2)C1 1110802463 OKAROVBZBZVZQF-MEBBXXQBSA-N 316.365 -0.055 30 20 DBED C#CCO[C@@H](C)C(=O)N(CCO)CCNc1cnc(F)cn1 1111510781 KQDYUAPEDBZUFM-NSHDSACASA-N 310.329 -0.113 30 20 DBED N#Cc1cnc(N2CCOC[C@H]2CNC(=O)CC(N)=O)c(F)c1 1111679173 GLAGAMYQDOHENU-SNVBAGLBSA-N 321.312 -0.711 30 20 DBED CNC(=O)CC(=O)N[C@H]1CCN(c2ccnc(C#N)n2)[C@@H](C)C1 1112470638 XXWVVSMCQMWRER-QWRGUYRKSA-N 316.365 -0.042 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)c2ccnc(O)c2)CC1 1112764582 CDIYMNMZDHLPDV-UHFFFAOYSA-N 303.322 -0.815 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCN(Cc2nnnn2C2CC2)CC1 1112801022 BTIYLQGPQOVTSB-HNNXBMFYSA-N 320.397 -0.021 30 20 DBED COCCC1(C(=O)N2CCN(CC(=O)NCC#N)CC2)CCC1 1113584715 IKAWNQBWDBXSEJ-UHFFFAOYSA-N 322.409 -0.023 30 20 DBED C[C@H](CNC(=O)[C@H]1COC(=O)N1)N(C)c1nccnc1C#N 1113590368 CAEVRBQCBWRQFV-PSASIEDQSA-N 304.310 -0.602 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)c3cn[nH]c3)[C@H]2C1 1113916087 LFUPBKGPXQICRE-DLOVCJGASA-N 303.366 -0.240 30 20 DBED C=CCOCC(=O)N[C@H]1[C@@H]2CN([C@@H]3CCN(CC)C3=O)C[C@@H]21 1114048374 XLJNGWXZODIBPE-COMQUAJESA-N 307.394 -0.144 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@H]1[C@@H]2CN(Cc3nnn(C)n3)C[C@@H]21 1114194843 WNZGQBDLGCEWGN-XXSPCDMZSA-N 306.370 -0.916 30 20 DBED COCC#CCN1C[C@@H]2C(NC(=O)c3ccc(C(N)=O)o3)[C@H]2C1 1114539671 BFPSEJVMCPJHLT-QWRGUYRKSA-N 317.345 -0.312 30 20 DBED C#CCCN1C[C@H]2[C@H](NC(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)[C@H]2C1 1114592841 MDRCYDZGPWLHQM-NJURLYQPSA-N 319.405 -0.131 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3csc(C)n3)[C@H]2C1 1114731096 OPNZIDSFUVISBT-QWRGUYRKSA-N 318.402 -0.139 30 20 DBED CC(=O)N(C)CC(=O)N[C@H](C)CCCN=c1cc[nH]c(C#N)n1 1114863334 AGESNKUNLWPVOU-LLVKDONJSA-N 318.381 -0.055 30 20 DBED C#CCOCCNC(=O)C(=O)N1CC[C@@H](COCCOC)C1 1117436840 QPXZVQZMZNCXMM-CYBMUJFWSA-N 312.366 -0.736 30 20 DBED C#CCNC1CC2(C1)CC(NC(=O)CNS(=O)(=O)CC)C2 1121189189 IWHHCVFIXDUTKA-UHFFFAOYSA-N 313.423 -0.424 30 20 DBED CC(C)(C)C#CC(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1 1121438917 BQRBAPCQLURCOP-NSHDSACASA-N 301.350 -0.291 30 20 DBED Cc1cc(C#N)nc(N[C@@H](CO)CNC(=O)c2nonc2C)n1 1121733674 DJBQEVITIUQZQG-SNVBAGLBSA-N 317.309 -0.449 30 20 DBED Cc1nonc1C(=O)NC[C@@H](CO)Nc1ccc(C#N)cn1 1121734493 NXQMOBQYRGOUHE-JTQLQIEISA-N 302.294 -0.153 30 20 DBED Cc1nc(O)[nH]c1C(=O)NC[C@@H](CO)Nc1ccc(C#N)cn1 1122212736 BYYUACKVGYWQBX-JTQLQIEISA-N 316.321 -0.107 30 20 DBED CC#CCCCC(=O)NC[C@H](CO)Nc1nccn2nnnc12 1122371397 AWXVJZGDUQPBGA-LLVKDONJSA-N 317.353 -0.398 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](CO)Nc1ccc(C#N)nn1 1122593042 KNGDDKCKSAJPCU-XQQFMLRXSA-N 317.349 -0.172 30 20 DBED N#CCNC(=O)CNCCNC(=O)[C@H]1CCCN1C1CCCC1 1129429933 NBMANZSYBKSDQH-CQSZACIVSA-N 321.425 -0.261 30 20 DBED C[C@H]1CC[C@H](NC(=O)COCc2ncnn2C)CN1CC#N 1132392818 QQHFXZMQZNLLDT-RYUDHWBXSA-N 306.370 -0.176 30 20 DBED CC#CCN1C[C@@H](NC(=O)CS(=O)(=O)NC)CC[C@H]1C 1132501473 XDXYUUYHBOWWSN-NEPJUHHUSA-N 301.412 -0.472 30 20 DBED C=CCNC[C@H]1CN(C(=O)CN2CC(=O)NC2=O)CC[C@H]1C 1133185595 GAZHSJJSOAEZGE-NEPJUHHUSA-N 308.382 -0.202 30 20 DBED C#CCNC[C@@H]1CN(C(=O)CN2C(=O)CCC2=O)CC[C@H]1C 1133300980 BPLGFWYCKUWJAC-CHWSQXEVSA-N 305.378 -0.157 30 20 DBED C#CCN[C@@H](C)C[C@@H](C)NC(=O)CN1CCCS1(=O)=O 1134553348 PHELPKYAAAAHFM-NWDGAFQWSA-N 301.412 -0.472 30 20 DBED C=CCNC(=O)CNCCNC(=O)C[C@H]1CCCCN1C(C)=O 1135202014 YTQMWHCZYOQZFP-CQSZACIVSA-N 324.425 -0.215 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)CN1CCC(C)CC1 1135709739 APOIVLMLYKEPQG-CQSZACIVSA-N 308.426 -0.438 30 20 DBED C=CCOc1cccnc1C(=O)NCCNCCOCCO 1147290888 YMVAHZYLAOOZIN-UHFFFAOYSA-N 309.366 -0.025 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)C[C@@H]2CCC(=O)N2C)C1 1150077761 BBGKJBYAGLRWPU-UONOGXRCSA-N 307.394 -0.162 30 20 DBED COCC#CCNCCNC(=O)CNC(=O)Cc1ccccc1 1150086215 UEGUGNXPIGYUTO-UHFFFAOYSA-N 317.389 -0.299 30 20 DBED COCC#CCNCCNC(=O)CCNC(=O)c1ccco1 1150293677 ZZQAOZDKUYNNSM-UHFFFAOYSA-N 307.350 -0.245 30 20 DBED C#CCN1CCC(CCOC)(NC(=O)CS(C)(=O)=O)CC1 1151007682 PFUNDGPPJHJDNX-UHFFFAOYSA-N 316.423 -0.349 30 20 DBED C=CCO[C@H](C)C(=O)NCCNCCOCCNC(C)=O 1153149012 QGOXHBWVHHEKIT-GFCCVEGCSA-N 301.387 -0.564 30 20 DBED CC1CCC(OCC(=O)NCCNCC(=O)NCC#N)CC1 1153393518 HUGMICWWVMTDEO-UHFFFAOYSA-N 310.398 -0.073 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)C1CCN(C)CC1 1155024312 WXEMRCSWYCNPGK-CYBMUJFWSA-N 323.441 -0.205 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@H]1CN(C)C[C@@H](C)O1 1160862703 VRBBADUZPLRCCR-CHWSQXEVSA-N 312.414 -0.896 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)[C@H]1CCN(C)C(=O)C1 1161155912 LJQOLNVJUKRBTR-OLZOCXBDSA-N 322.409 -0.911 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)[C@@H](COC)OC 1166192537 PEGLKZYNAZCJFO-VXGBXAGGSA-N 301.387 -0.566 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC[C@H](NCc2nc(=O)n(C)[nH]2)[C@@H]1C 1178582128 OOFPHGOWOHTIRV-PGUXBMHVSA-N 323.397 -0.486 30 20 DBED C#CCCN[C@H]1CCO[C@H](C2CCN(C(=O)C(N)=O)CC2)C1 1186084885 KAELTXCOLBLBIC-KBPBESRZSA-N 307.394 -0.129 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)Cn2cncn2)C1 1187656094 KKSGHAYUBGCBTA-VXGBXAGGSA-N 306.370 -0.841 30 20 DBED C=CCN1CC[C@H](N(C)[C@H]2CCN(C(=O)CNC(C)=O)C2)C1=O 1188692997 IBBOFYKSUKXSPY-KBPBESRZSA-N 322.409 -0.558 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@H]1CCN(C(=O)CC(=O)NCC)C1 1189787712 PVFOOXXPDKZRFW-OLZOCXBDSA-N 322.409 -0.817 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(Cc2cnc(C)cn2)C[C@H]1O 1191778385 YWQSQRWGTYXNGJ-ZIAGYGMSSA-N 306.366 -0.351 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(Cc2cn(CC)nn2)C[C@H]1O 1192539987 LLHNENOSZZKGDN-NFAWXSAZSA-N 323.397 -0.714 30 20 DBED C=CCCN(C)[C@H]1CCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)C1 1192671802 QOODZGIDMCRTEV-NSHDSACASA-N 322.365 -0.484 30 20 DBED COCC#CCNC1CCN(C(=O)[C@@H]2COCCN2C)CC1 1200118871 VXGSKLXUCKSSMM-HNNXBMFYSA-N 309.410 -0.453 30 20 DBED C=CCCNC[C@H]1CN(C(=O)[C@@H]2CC(=O)NC(=O)N2)CCCO1 1201515730 NAJSGPYPWWFDTJ-RYUDHWBXSA-N 324.381 -0.632 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)[C@@H](CC)NC(C)=O)CC1 1202613533 QDTJZYBJBOSVKV-CQSZACIVSA-N 322.409 -0.769 30 20 DBED CC#CCN[C@@H]1C[C@H](NC(=O)c2nnc(O)nc2O)C12CCC2 1203132815 PKYQAGCXYKGIJJ-ZJUUUORDSA-N 317.349 -0.063 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)CNC(C)=O)[C@@H]1COC[C@@H]12 1205471703 MBIRYRPZFKCDTG-LSDHHAIUSA-N 319.405 -0.305 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H](NC[C@H](O)COC)C1 1208352876 RJMXPPMVOKQKGK-PMPSAXMXSA-N 323.437 -0.328 30 20 DBED COCC#CCN[C@H]1CCCN(C(=O)C[C@@H]2CCC(=O)N2)C1 1210080680 SGBLMAHWIPMHFR-KBPBESRZSA-N 307.394 -0.115 30 20 DBED C=C(C)[C@@H](CC(=O)N[C@@H]1CN(CC(N)=O)C[C@H]1OC)OCC 1212354798 JYQZHNZIRZVFSR-JHJVBQTASA-N 313.398 -0.342 30 20 DBED C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1N[C@H]1CCC(=O)NC1=O 1214173620 HVJWBUQYLPDWIV-OUAUKWLOSA-N 324.406 -0.515 30 20 DBED C[C@@H]1CN(C(=O)CCc2ncc[nH]2)C[C@H]1NCC(=O)NCC#N 1214531301 WZWDHMLBIWAQEO-VXGBXAGGSA-N 318.381 -0.581 30 20 DBED C#CCCN[C@@H]1CN(C(=O)CN2CCN(C)C(=O)C2)C[C@H]1C 1215008095 DYGFWNXLEQIMJA-ZIAGYGMSSA-N 306.410 -0.780 30 20 DBED CCCN(CCC)C(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H](C)C#N)C1 1219379286 QKLWEHZRYYNICA-MJBXVCDLSA-N 324.425 -0.044 30 20 DBED COCC#CCN1CC[C@@H]2CN(C(=O)[C@]3(C)CNC(=O)C3)[C@@H]2C1 1221705229 TWTGLMGFPQHMSO-CPUCHLNUSA-N 319.405 -0.305 30 20 DBED CNC(=O)NC(=O)CN1CC[C@@H]2CCN(C(=O)[C@@H](C)C#N)C[C@@H]21 1222443464 XTIDIGGLEFLWTD-TUAOUCFPSA-N 321.381 -0.476 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)NC(C)=O 1224658529 UKYROXUOXLNUSB-IACUBPJLSA-N 322.409 -0.723 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)c2cnccn2)CC1 1225844753 RBRKHGBNYNGPSA-UHFFFAOYSA-N 303.366 -0.027 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)c2n[nH]c(C)c2C)CC1 1226664733 PEWKOYNMJXXZJO-UHFFFAOYSA-N 317.393 -0.030 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)c2c[nH]c(C#N)c2)CC1 1226927603 ZWXOYQYVOQWUPG-UHFFFAOYSA-N 313.361 -0.170 30 20 DBED CN(C[C@H]1CCN1CC(=O)NCC#N)C(=O)c1cncnc1 1233819845 QOEFVFTULOUJIL-GFCCVEGCSA-N 302.338 -0.737 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N[C@H](C)c1nnc2n1CCC2 1256954920 BJYQWXIFZOMAHZ-ZJUUUORDSA-N 307.354 -0.281 30 20 DBED C#CC[C@@H](CO)NC(=O)N[C@@H]1CCN(C2CCOCC2)C1=O 1262192062 RKCJHCMSSSECCD-WCQYABFASA-N 309.366 -0.550 30 20 DBED CO[C@@H]1CCN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)C[C@@H]1C 1326265254 FSVIDILXWYBCJE-ZOWXZIJZSA-N 309.366 -0.253 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)Nc2ccnc(OCCO)c2)CCO1 1327253719 HDQNKCSRYAMRQA-LLVKDONJSA-N 320.305 -0.858 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)NC[C@@H]2CCN(C3CC3)C2)C1 1328253711 FIZXZUFSKITBDY-LRDDRELGSA-N 320.393 -0.536 30 20 DBED C[C@@H]1CCCN(C(=O)C(=O)N2CCO[C@H](C#N)C2)[C@H]1CCO 1329754165 FUWZFQXDSSQOLV-UPJWGTAASA-N 309.366 -0.253 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N(CC)CC(C)(C)O 1329812446 HGQPDZGCXIFECZ-UHFFFAOYSA-N 320.411 -0.677 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N1CC[C@@H](CC(N)=O)C1 1333502785 DRZXXLRGGYLTLW-LBPRGKRZSA-N 309.366 -0.791 30 20 DBED N#CCCn1ccc(NC(=O)C(=O)N2C[C@H]3C[C@@]3(CO)C2)n1 1343252374 UURBOUIZMHRHOW-YGRLFVJLSA-N 303.322 -0.424 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)C(=O)N2CCn3cccc3C2)C1 1345718917 SLXWWLSKCZGUFW-OAHLLOKOSA-N 302.334 -0.293 30 20 DBED CN1C(=O)CC[C@H](NC(=O)C(=O)Nc2cccc(C#N)n2)C1=O 1345811955 KBWREQHDZWZYDT-VIFPVBQESA-N 315.289 -0.845 30 20 DBED C=CC[C@H](CC)NC(=O)C(=O)N1C[C@@H](C(=O)OC)C[C@@H](O)C1 1349215714 ZMEQGAYYKUWMPY-SDDRHHMPSA-N 312.366 -0.160 30 20 DBED N#Cc1cn(CC(=O)NCCc2cccc(O)c2)c(=O)nc1O 1362471604 MIDNAFSEHYANOV-UHFFFAOYSA-N 314.301 -0.115 30 20 DBED N#Cc1cn(CC(=O)N2CCC[C@H](CO)CC2)c(=O)nc1O 1362941937 FOVYKTPTKSJHBX-JTQLQIEISA-N 306.322 -0.558 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@]1(C)CCN(C(=O)c2cn(C)nn2)C1 1379855754 XAGUAIHCHQRIHV-IINYFYTJSA-N 304.354 -0.057 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CN(C)C(=O)CCc1nccn1C 1384244150 KPZCJYSDOBSFOV-VXGBXAGGSA-N 321.381 -0.552 30 20 DBED CN(C[C@H](O)CNC(=O)c1cocn1)C(=O)c1cc(C#N)c[nH]1 1395999716 OUPQJVCWFMCALO-SNVBAGLBSA-N 317.305 -0.263 30 20 DBED N#CC1(CS(=O)(=O)N2CC[C@@H](CS(N)(=O)=O)C2)CC1 1413452228 HOKMPYPSHRTJDI-SECBINFHSA-N 307.397 -0.770 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)[C@H]2CCCS2(=O)=O)CC1 1453411899 XQWHMAPPQAZFDY-VHSXEESVSA-N 313.379 -0.512 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)C[C@@H]2CCN(C)C2=O)C1 1454332796 WWROWDWRMKYXDA-BJDJZHNGSA-N 306.366 -0.222 30 20 DBED N#Cc1cccc(CNC(=O)NC[C@]2(O)CCS(=O)(=O)C2)c1 1467596936 IOEOMABXDCFRCZ-CQSZACIVSA-N 323.374 -0.093 30 20 DBED N#Cc1cn(CCC(=O)N2CCC[C@@H]3COC[C@@H]32)c(=O)nc1O 1468866011 VYYLLXZKMWEEDF-PWSUYJOCSA-N 318.333 -0.152 30 20 DBED COC(=O)c1ncccc1S(=O)(=O)N1CCOC[C@H]1C#N 1474970132 XPWFXZOBTPWGIS-SECBINFHSA-N 311.319 -0.219 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](CNC(=O)CCN1CCOCC1)C1CC1 1493623448 PVTOAFCIUGHUND-GXTWGEPZSA-N 322.409 -0.121 30 20 DBED C[C@@H](C#N)C(=O)NC/C=C\CN=c1cc[nH]cc1-c1nn[nH]n1 1573581946 APSJKHPTCJKNGN-ZMWSMAPVSA-N 312.337 -0.072 30 20 DBED COC1(OC)CCN(C(=O)[C@@](C)(C#N)CC(=O)O)C[C@@H]1O 1574120535 PRRWVMWHHWWCFG-JOYOIKCWSA-N 300.311 -0.427 30 20 DBED C[C@H](Nc1cnc(C#N)c(-c2nn[nH]n2)n1)c1nnc(O)n1C 1575444385 LFTSYFJUAZBJQS-YFKPBYRVSA-N 313.285 -0.464 30 20 DBED C[C@@H]1CN(C(=O)CCOCc2cnn[nH]2)C[C@@H]1CNCC#N 1576123864 NELNDKMAIPLCNM-NEPJUHHUSA-N 306.370 -0.081 30 20 DBED C[C@@H](O)C(=O)N1CCN(C(=O)C2CC3(CNC[C@@H]3C#N)C2)CC1 1576267647 YJIFBYJPXCDLDY-ZMDMRTEPSA-N 320.393 -0.823 30 20 DBED C[C@H]1COCCN1CCNc1cnc(-c2nn[nH]n2)c(C#N)n1 1576378414 QWHPYIUURQTHDW-VIFPVBQESA-N 315.341 -0.339 30 20 DBED C#CCN(CC#CC)C(=O)NCCn1cnc(-c2nn[nH]n2)n1 1588349372 BOVLWASMJQKRPV-UHFFFAOYSA-N 313.325 -0.874 30 20 DBED C#CCN(CC(=O)O)CC(=O)NC1CCC2(CC1)OCCO2 1588419680 AUEXOTGAFIRSDQ-UHFFFAOYSA-N 310.350 -0.192 30 20 DBED C#CCN(C(=O)c1ccc(C(=O)O)n1C)[C@@H]1CCS(=O)(=O)C1 1588461293 KVRWFMHQUGNYPM-SNVBAGLBSA-N 324.358 -0.014 30 20 DBED C#CCn1cc(CNS(=O)(=O)c2cnn(CC(=O)O)c2)cn1 1588509935 VGGOXXJGVVWIMW-UHFFFAOYSA-N 323.334 -0.724 30 20 DBED C=CCOC[C@H](NS(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1O2)C(=O)O 1588867283 YYHVTPLCROHKQG-UKKRHICBSA-N 305.352 -0.119 30 20 DBED C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O 1588918102 XPXHHLXGDXBJRQ-NAKRPEOUSA-N 313.354 -0.146 30 20 DBED CC(C)(C(=O)O)n1cc(NC(=O)N[C@@H]2CNC[C@@H]2C#N)cn1 1589666469 UUKIQCMBBSTHEV-WCBMZHEXSA-N 306.326 -0.064 30 20 DBED O=S1(=O)CC[C@@H](NN=Cc2ccc(-c3nn[nH]n3)cc2)C1 1593464529 VASNJEUFOUASRV-LLVKDONJSA-N 306.351 -0.023 30 20 DBED Cc1nsc(N2CCN(CC(=O)NCC(=O)O)CC2)c1C#N 1594503623 FDKWLTIZRGGBHZ-UHFFFAOYSA-N 323.378 -0.354 30 20 DBED C=C(Br)Cn1nnnc1N1CCO[C@H](C(=O)O)C1 1602744567 FTZUZAKPDGZCOO-ZETCQYMHSA-N 318.131 -0.129 30 20 DBED C=CCNC(=O)NC(=O)Cn1cc(C)cc(-c2nn[nH]n2)c1=O 1602864240 ZFMAOLZXCZZRQB-UHFFFAOYSA-N 317.309 -0.651 30 20 DBED C=CCOC[C@@H](NC(=O)CN1CCN(C2CC2)C1=O)C(=O)O 1602908611 ADVYIXMTIYQTFW-LLVKDONJSA-N 311.338 -0.342 30 20 DBED CC(C)COC(=O)Cn1c(=O)c(C#N)cn(CC(=O)O)c1=O 1603029542 ZXSJIDRDFHJOFL-UHFFFAOYSA-N 309.278 -0.835 30 20 DBED C[C@@H]1C[C@@H](CO)CN(c2cnc(C#N)c(-c3nn[nH]n3)n2)C1 1603850521 GYDASBMLSSBOOW-RKDXNWHRSA-N 300.326 -0.017 30 20 DBED N#CCCNC(=O)NCCNc1ncccc1-c1nn[nH]n1 1606349703 WXBIRZZVUDKKQK-UHFFFAOYSA-N 301.314 -0.114 30 20 DBED O=S1(=O)CCC[C@H](NN=Cc2cccc(-c3nn[nH]n3)n2)C1 1607073279 LBLSZAMXTNMVGR-JTQLQIEISA-N 321.366 -0.238 30 20 DBED C[C@H](C(=O)O)S(=O)(=O)NC(=O)COc1cccc(C#N)c1 1609642490 TVTYSMCGLWZGNZ-MRVPVSSYSA-N 312.303 -0.144 30 20 DBED C=CCNC[C@H]1CCCCN1C(=O)C[C@H](NC(C)=O)C(N)=O 1724779493 ZSGHGAUDPAXHEW-OLZOCXBDSA-N 310.398 -0.477 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@H](C)NCC(=O)NC(=O)NCC 1752870756 NBBROMWDCAVHMU-YGRLFVJLSA-N 314.386 -0.747 30 20 DBED C=CCNC(=O)CN[C@@H]1CCC[C@H](NC(=O)c2cnn[nH]2)C1 1752973248 GMCWRDJUODOKCM-MNOVXSKESA-N 306.370 -0.263 30 20 DBED C=CCn1cc(C(=O)NCCN(CC)[C@@H]2CCN(C)C2=O)nn1 1753091304 QEHYPMPZPULENV-CYBMUJFWSA-N 320.397 -0.254 30 20 DBED C#CCCN(CCNC(=O)Cn1nc(C)n(C)c1=O)C1CC1 1753163006 MOYYOZFBWZITAR-UHFFFAOYSA-N 305.382 -0.506 30 20 DBED N#CCN1[C@H]2CC[C@H]1CN(C(=O)CCCn1c(O)nnc1O)C2 1753307199 CNJBOKFUVFNXGZ-QWRGUYRKSA-N 320.353 -0.332 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC(CNC(=O)[C@H](OCC)C2CC2)C1 1753403081 MBTBTAVCUUQTCI-IUODEOHRSA-N 321.421 -0.013 30 20 DBED C=CCNC(=O)CN[C@@H](CC)CNC(=O)c1ccc(=O)n(C)c1 1753477131 LYOPHCLBSKJYAB-ZDUSSCGKSA-N 320.393 -0.215 30 20 DBED C=CCNC(=O)[C@@H](C)NC[C@H](C)CNC(=O)c1cnc(O)n1C 1753625579 JNWPZHQAYCBMPM-WDEREUQCSA-N 323.397 -0.228 30 20 DBED C=CCNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)c1ccc(C#N)[nH]1 1753908031 DSUHMUYRUMCLLF-PWSUYJOCSA-N 319.365 -0.743 30 20 DBED C=CCNC(=O)[C@H](C)NC[C@@H](C)NC(=O)Cn1cc(C)cn1 1754220811 RYAPUSDADYQYGO-OLZOCXBDSA-N 307.398 -0.023 30 20 DBED C#CCCNC[C@@H](C)NC(=O)CN1CCCCS1(=O)=O 1754235267 NFHZQHGRLIAAAT-GFCCVEGCSA-N 301.412 -0.470 30 20 DBED N#CCN1CC[C@](O)(CNC(=O)c2ccc(C(N)=O)cc2)C1 1754762391 ONYKAGNTXUQESS-HNNXBMFYSA-N 302.334 -0.524 30 20 DBED CC#CCN1CC[C@](O)(CNC(=O)c2cc(C(N)=O)ccn2)C1 1754764295 WHUWXGJDUKNATI-INIZCTEOSA-N 316.361 -0.630 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(Cc2ccns2)C1 1754768080 ZLSJFAXGSFDWQO-UHFFFAOYSA-N 309.391 -0.154 30 20 DBED C#CCNC(=O)CNCCN(CCO)C(=O)C(C)=C1CCC1 1754882194 VDAQCNQQNFHPKX-UHFFFAOYSA-N 307.394 -0.353 30 20 DBED O=C(C#CC1CC1)NC[C@@H](CO)NCc1nc(C2CC2)no1 1755627884 MDVFBPAWCZTDAO-LBPRGKRZSA-N 304.350 -0.073 30 20 DBED C=CCCNC[C@@H](O)CN(C)C(=O)[C@@H]1CCCCS1(=O)=O 1755780326 CWMMWMZYXCFZNS-OLZOCXBDSA-N 318.439 -0.061 30 20 DBED C#Cc1ccc(C(=O)N[C@H](CO)CNC(=O)[C@H](C)COC)cn1 1756520443 WURLOWJSCLRYLG-RISCZKNCSA-N 319.361 -0.448 30 20 DBED C=CCCC1(C(=O)N[C@@H](CO)CNC(=O)[C@@H]2CCNC2=O)CC1 1756540497 NYCZUOOVYBFKRM-VXGBXAGGSA-N 323.393 -0.538 30 20 DBED CC#CCCCC(=O)NC[C@H](CO)NC(=O)c1cnccn1 1756543394 PCXPZBQRAZFOQX-GFCCVEGCSA-N 304.350 -0.123 30 20 DBED C[C@H]1C[C@H](NC(=O)CC(=O)N(C)C)CN1C(=O)C#CC1CC1 1756588125 NSUUJWPHZBOKQX-AAEUAGOBSA-N 305.378 -0.016 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H](O)CN(C)C(=O)c1ccco1 1756649700 BEKJNVKFCPLGSG-NWDGAFQWSA-N 308.334 -0.133 30 20 DBED C#CCCCCC(=O)N(C)C[C@@H](O)CNC(=O)[C@H]1CCC(=O)N1 1756658849 AYYUMAIPFGOHDQ-QWHCGFSZSA-N 323.393 -0.606 30 20 DBED CC#CCCCC(=O)N[C@@H]1CN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C[C@H]1O 1757025607 BDCVBJZZPYOWQL-SGPHBRAGSA-N 320.389 -0.240 30 20 DBED N=C(N)NCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C#CC1CC1)C2 1795980619 VDDFDWYSQYYTFH-CLLJXQQHSA-N 317.393 -0.479 30 20 DBED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)c1ncon1)C2 1841601613 UVRFJJOCNQWLRA-LLVKDONJSA-N 318.333 -0.075 30 20 DBED N#C[C@H]1CN(S(=O)(=O)N2CCC(C(=O)O)CC2)CCO1 93932486 VARWNCGYJRTYRU-JTQLQIEISA-N 303.340 -0.748 30 20 DBED CC/N=C(/NC[C@@H]1CN2CCN1CC2)N[C@H]1CCN(C2CC2)C1 261945716 LBKKXZUYHDOQNM-GOEBONIOSA-N 320.485 -0.222 30 20 DBED C=CCn1c(SCC(=O)N(C)CC(=O)OCC)n[nH]c1=O 268319815 MNCSPNDUKZBLDM-UHFFFAOYSA-N 314.367 -0.129 30 20 DBED C=CCOCCCC(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)OC 274105457 SYTFMQVFASFSAL-LLVKDONJSA-N 319.379 -0.232 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N1CC[C@@H](CS(C)(=O)=O)C1 292208945 MHRXVNVETFWFJO-GHMZBOCLSA-N 317.411 -0.247 30 20 DBED CCS(=O)(=O)N1CC(CNC(=O)N2CCO[C@H](C#N)C2)C1 333336668 SCAMDHYIIDOUAB-LLVKDONJSA-N 316.383 -0.798 30 20 DBED N#C[C@H]1CN(S(=O)(=O)NCc2ccc(C(N)=O)cc2)CCO1 336905465 SXYHTRNKUPIRPE-LBPRGKRZSA-N 324.362 -0.656 30 20 DBED CC1(C)CC[C@@H]1NS(=O)(=O)CCCS(=O)(=O)NCC#N 349539412 IAFVMJXAYPJRMR-JTQLQIEISA-N 323.440 -0.073 30 20 DBED Cn1cc(C#N)c(=O)n(CC(=O)N(CCC#N)CCC#N)c1=O 353691891 HMPBRZQCKUVPOI-UHFFFAOYSA-N 314.305 -0.925 30 20 DBED C=C(C)COCCNS(=O)(=O)N1CCS(=O)(=O)CC1 353697863 SYTUCNOTUQKZIB-UHFFFAOYSA-N 312.413 -0.856 30 20 DBED CN(CCC#N)S(=O)(=O)N1CCOC2(CCOCC2)C1 362909232 QJFXDFTXFVMJFN-UHFFFAOYSA-N 303.384 -0.042 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)NC[C@H]1CN2CCC[C@H]2CO1 374418502 XPIIHXXOOQOLCH-AGIUHOORSA-N 316.427 -0.225 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N[C@H]1CCCS(=O)(=O)C1 407958594 RWBJRYUVFSRURJ-ZJUUUORDSA-N 309.413 -0.511 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N[C@H]2CCC[C@@H](N)C2)nn1 424544406 KSEUSKZZSIKVSR-MNOVXSKESA-N 306.370 -0.534 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@](C)(O)C2CC2)C1=O 440205097 XNOYZDAYRDLJIF-AWEZNQCLSA-N 309.322 -0.760 30 20 DBED C[C@@H]1[C@@H](C)N(C(=O)C(=O)Nc2ccn(CCC#N)n2)CCN1C 442311772 XDUWRUWWNWIJIL-VXGBXAGGSA-N 318.381 0.286 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@@H](C)CCCOC)CC1 491095988 OIEPLTXVPDKZJO-AWEZNQCLSA-N 309.410 -0.057 30 20 DBED C#CCN(C(=O)CNS(=O)(=O)c1cn(C)c(C)n1)C1CC1 491408244 UXHFYXRLXHFAON-UHFFFAOYSA-N 310.379 -0.369 30 20 DBED C#C[C@H](NC(=O)c1nc(N)nc(N2CCOCC2)n1)C(C)C 491728416 MMAWSOKIFPNACP-JTQLQIEISA-N 304.354 -0.322 30 20 DBED COC(=O)c1cncc(S(=O)(=O)N2CC(O)(CC#N)C2)c1 530321581 UEDMWSBBZBOAGK-UHFFFAOYSA-N 311.319 -0.483 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)CN(C)S(=O)(=O)N(C)C 566349168 NFICNMNHRMZKNI-YPMHNXCESA-N 319.427 -0.178 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N[C@H]1CCCN(CCCO)C1 568262773 XJCPPJAPAQPHHF-STQMWFEESA-N 318.443 -0.098 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC(OC(F)F)C2)C1=O 574023195 NYSGRLCHQPUSOM-UHFFFAOYSA-N 317.248 -0.587 30 20 DBED C[C@@H]1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)C[C@@H]1C(=O)O 592457665 RXIQVRWKAIHISX-VWYCJHECSA-N 317.367 -0.502 30 20 DBED CC(C)NC(=O)C(=O)N1CCN(c2cc(C#N)cnn2)CC1 596062564 WZWAWRFGLJSCJB-UHFFFAOYSA-N 302.338 -0.479 30 20 DBED N#CCNC(=O)CNC(=O)N[C@@H]([C@H]1CCCO1)C1(CO)CCC1 596599496 RAPOHWHXQVZIFN-YPMHNXCESA-N 324.381 -0.364 30 20 DBED C=CCC[C@H](NC(=O)CC[C@H]1NC(=O)NC1=O)C(=O)OCC 597732494 ITQZJEFRVZMKSP-ZJUUUORDSA-N 311.338 -0.011 30 20 DBED C=C[C@H](O)C(=O)NCCNS(=O)(=O)c1ccc(F)cc1F 614451419 UIBKPAZKUBZUNC-JTQLQIEISA-N 320.317 -0.094 30 20 DBED C#C[C@@H](CO)NS(=O)(=O)c1ccc(F)c(C(=O)O)c1F 718157704 ZWBGDYMIBURQOI-LURJTMIESA-N 305.258 -0.065 30 20 DBED C#CCNC(=O)[C@@H](C)OC(=O)Cc1ccc(S(N)(=O)=O)cc1 728368016 JMCMKKYMZQLYEF-SNVBAGLBSA-N 324.358 -0.442 30 20 DBED CS(=O)(=O)N1CCC(=NNc2ccc(C(N)=O)nn2)CC1 756832671 UTKDZPFBZGNMSK-UHFFFAOYSA-N 312.355 -0.601 30 20 DBED C=CCOCC(=O)NS(=O)(=O)c1nnc(NC(C)=O)s1 759507693 GEAORPSPSMHIFI-UHFFFAOYSA-N 320.352 -0.496 30 20 DBED CCN(CCC#N)C(=O)COC(=O)CCS(=O)(=O)NC 767105381 SPSUFIZSDFRMHA-UHFFFAOYSA-N 305.356 -0.769 30 20 DBED C#C[C@@H](NC(=O)C(=O)Nc1cc(OC)ncn1)[C@@H]1CCCO1 773792047 DTCWTTFFHQUHIB-ZJUUUORDSA-N 304.306 -0.279 30 20 DBED CCN(C[C@@H](C)C#N)C(=O)COC(=O)CCS(=O)(=O)NC 783186695 WTIXXWSHPFFRHF-JTQLQIEISA-N 319.383 -0.523 30 20 DBED C#C[C@@H](NC(=O)C(=O)NCCc1cnccn1)[C@@H]1CCCO1 793487136 IXNFSNUTKNVCIC-OLZOCXBDSA-N 302.334 -0.568 30 20 DBED C#C[C@H](NC(=O)C(=O)NCCC(=O)N[C@@H](C)CC)[C@H]1CCCO1 793666553 NRQZGTXYEVOBJF-RWMBFGLXSA-N 323.393 -0.296 30 20 DBED C#CCOc1ccc(NC(=O)C(=O)N2CC(CC(N)=O)C2)cc1 797380895 PDACRQXSNINPIE-UHFFFAOYSA-N 315.329 -0.029 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CC[C@](C)(C(N)=O)C1)[C@H]1CCCO1 809308671 MWSQXDKVEUEHGJ-RWSFTLGLSA-N 307.350 -0.993 30 20 DBED C#C[C@@H](NC(=O)NCCS(=O)(=O)N(C)C)[C@@H]1CCCO1 811905945 NXLHUEGKIMGEQD-MNOVXSKESA-N 303.384 -0.642 30 20 DBED C=CCOCCOC(=O)CNS(=O)(=O)c1cnn(C)c1 815189796 KPQDNHRUUOJPRC-UHFFFAOYSA-N 303.340 -0.556 30 20 DBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC(=O)O 818051921 BZWVSSVQDORYOE-QMMMGPOBSA-N 311.319 -0.574 30 20 DBED CN1C(=O)N[C@]2(CCN(C(=O)[C@](C)(C#N)CC(=O)O)C2)C1=O 820615950 ZXNXWEKNSOMKSQ-STQMWFEESA-N 308.294 -0.856 30 20 DBED C#CCNS(=O)(=O)N1CCN(C[C@H](OC)C2CC2)CC1 822790078 DCQUJRGBQOXIFS-ZDUSSCGKSA-N 301.412 -0.503 30 20 DBED C#CCOCCC(=O)NCCNc1ncccc1-c1nn[nH]n1 823850161 KRFYAUIWJZJIGQ-UHFFFAOYSA-N 315.337 -0.170 30 20 DBED C#CCN(CC(=O)N[C@H](COC)C(N)=O)C(=O)OC(C)(C)C 831340835 KSFWRBRXSYLNJZ-SNVBAGLBSA-N 313.354 -0.527 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](OC)C2CC2)CC1 831574949 SVYMAOPJKIEOHZ-LBPRGKRZSA-N 315.395 -0.977 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)c2conc2C)CC1 831579702 MODMRCGUUJJQPF-UHFFFAOYSA-N 312.351 -0.792 30 20 DBED COc1ccc(S(N)(=O)=O)cc1C(=O)N[C@@H]1CNC[C@@H]1C#N 834511199 JHRXZPPUDJNMEN-GZMMTYOYSA-N 324.362 -0.816 30 20 DBED N#C[C@@H]1CNC[C@@H]1NC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 834517413 VEFVJMQVMSHLPU-BZPMIXESSA-N 313.361 -0.342 30 20 DBED CN(C)c1c(C=NN[C@H]2CCOC2(C)C)c(=O)n(C)c(=O)n1C 835017298 UBMZOYMEHNOPNI-NSHDSACASA-N 323.397 -0.359 30 20 DBED C=CCN1CCN(CN2CCC[C@@H](S(=O)(=O)NC)C2)C1=O 839995638 GYCIFRZITDERAQ-GFCCVEGCSA-N 316.427 -0.119 30 20 DBED C=CCN(CC=C)C(=O)[C@H](C)OC(=O)[C@H]1CCS(=O)(=O)N1 845368014 LDJOBQPXBQATJR-WDEREUQCSA-N 316.379 -0.190 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N2CCCOCC2)CCN1C1CC1 845857762 IUNZXTAVAZXBPY-CYBMUJFWSA-N 314.411 -0.374 30 20 DBED O=C(C#CC1CCNCC1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 852802392 OHNXITSNFZTTLD-HNNXBMFYSA-N 319.405 -0.161 30 20 DBED Cc1ncc(C=NNC(=S)NCCN2CCOCC2)n1C 853263579 RCKGFLJRZXVTFF-UHFFFAOYSA-N 310.427 -0.141 30 20 DBED N#Cc1ccc(NCC(=O)NN2CCS(=O)(=O)CC2)cc1 862736327 HUEVYYPSRHMHEN-UHFFFAOYSA-N 308.363 -0.268 30 20 DBED CCn1cc([C@@H]2NC(=S)NC(C(=O)OC)=C2C(C)=O)nn1 901215161 IUYVVLLENAJJRJ-VIFPVBQESA-N 309.351 -0.167 30 20 DBED C[C@H](OC(=O)CCNS(C)(=O)=O)C(=O)N(C)CCC#N 914649422 MAZKQHKFHXNTOP-VIFPVBQESA-N 305.356 -0.771 30 20 DBED CN1CC[C@@H](C(=O)N(C)[C@H]2CCN(C(=O)C#CC3CC3)C2)C1=O 937349775 LHFGTYKRUYHEOF-UONOGXRCSA-N 317.389 -0.063 30 20 DBED CCn1nc(C(=O)N[C@H]2CCN(C(=O)[C@@H](C)C#N)C2)ccc1=O 938445730 HFTWJNPSQMJTID-QWRGUYRKSA-N 317.349 -0.246 30 20 DBED C=CCN1CC[C@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)C[C@@H]1C 947776260 VFSDXVYGALNRAK-QWRGUYRKSA-N 322.365 -0.438 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C[C@H]1C 948071332 XACIHUAUPDEDRN-VXGBXAGGSA-N 320.397 -0.078 30 20 DBED C[C@H](C#N)C(=O)N1CCC([C@@H]2CCCN2C(=O)C(N)=O)CC1 953487808 UAFPPLUFRSFSLG-PWSUYJOCSA-N 306.366 -0.139 30 20 DBED C[C@H]1C[C@H](C(=O)N(C)C2CN(C(=O)C#CC3CC3)C2)CC(=O)N1 954692490 YXIMOLKAPNPNMA-AAEUAGOBSA-N 317.389 -0.016 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)C23CCCN(CCC2)C3)C1 958171502 JREDDMNQPMTYJL-HUUCEWRRSA-N 305.422 -0.096 30 20 DBED C=CCN1C[C@@H](O)[C@@H](CNC(=O)c2ccnc3c2CC(=O)N3)C1 958214903 OHORWBQBKGGYSE-GXFFZTMASA-N 316.361 -0.215 30 20 DBED Cn1nnc(CN2C[C@H]3C(NC(=O)c4ccc(C#N)[nH]4)[C@@H]3C2)n1 958601741 JSJCENQESVYBMQ-NXEZZACHSA-N 312.337 -0.730 30 20 DBED C#CCCN1C[C@@H](O)[C@@H](CNC(=O)c2c[nH]c(C(N)=O)c2)C1 958673577 SYPCYAHVXNFDGU-WCQYABFASA-N 304.350 -0.841 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CN(C(=O)[C@H]3OCCO[C@H]3C)C[C@H]2C1 961824266 ZFTMVUGKBGLUME-YHQUGGNUSA-N 321.377 -0.133 30 20 DBED C#CCN1C[C@H]2[C@H](NC(=O)c3cccc(-n4cncn4)n3)[C@H]2C1 962160976 BDEXEAPEEXIGSG-JYAVWHMHSA-N 308.345 -0.045 30 20 DBED C[C@H](C#N)C(=O)N1CC2(C[C@H](NC(=O)c3cncnc3)CO2)C1 965672492 BNXRPAXKIHUTOW-PWSUYJOCSA-N 315.333 -0.264 30 20 DBED C#Cc1cncc(C(=O)N[C@@H](C)C2CN(CC(=O)NC)C2)c1 970397948 IKKREKIUDSMZSU-NSHDSACASA-N 300.362 -0.141 30 20 DBED C=CCCN1C[C@H]2CC[C@H]1CN2C(=O)C[C@@H]1NC(=O)NC1=O 971475166 RFADXLRZYZCYDZ-TUAOUCFPSA-N 306.366 -0.164 30 20 DBED N#CCN1C[C@H]2CC[C@H]1CN2C(=O)CCn1cc[nH]c(=O)c1=O 971925969 DXZOESMQFFTRPD-NWDGAFQWSA-N 317.349 -0.875 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)[C@@H]3CN(C)CCO3)C2)C1 972317185 RZXJVHZPVOKMKC-HOCLYGCPSA-N 307.394 -0.747 30 20 DBED C#CCCN1CCO[C@@]2(CCN(C(=O)Cn3nccn3)C2)C1 972394982 VADOHZXZGQVECO-HNNXBMFYSA-N 303.366 -0.395 30 20 DBED C#CCN[C@@H]1CCC[C@@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)C1 981439174 AUJYQPMTUZPCNQ-VXGBXAGGSA-N 320.393 -0.033 30 20 DBED C#CCN1CCCN(C(=O)c2coc(S(N)(=O)=O)c2)CC1 981473827 JJGMWCPZPZOJRC-UHFFFAOYSA-N 311.363 -0.292 30 20 DBED C=C(C)CN[C@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)[C@H]1C 986295345 TWZHXJDKIMQNHN-QWRGUYRKSA-N 306.370 -0.468 30 20 DBED C[C@@H]1C[C@@H](NCC#N)CN1C(=O)CN1CCCCS1(=O)=O 989193496 KBWUOFIZLZLJTI-VXGBXAGGSA-N 314.411 -0.485 30 20 DBED CC#CCN1CCCN(C(=O)[C@@H]2CN(C(C)=O)CCO2)CC1 989586108 GNMQGIGZPYDQBS-HNNXBMFYSA-N 307.394 -0.209 30 20 DBED C=CC(C)(C)C(=O)N1CC(NC(=O)c2nccnc2C(N)=O)C1 991320767 JTTKAFXMQXIBGK-UHFFFAOYSA-N 317.349 -0.272 30 20 DBED C=CCn1cc(C(=O)NC2CN(C(=O)C3=COCCO3)C2)nn1 991675328 DFHRXIFWKBUMGH-UHFFFAOYSA-N 319.321 -0.707 30 20 DBED C=CCn1cc(C(=O)NC2CN(C(=O)c3c[nH]nc3C)C2)nn1 991688258 NVQYYDUEUXCVSW-UHFFFAOYSA-N 315.337 -0.250 30 20 DBED N#CCN1CC[C@H](n2cc(CNC(=O)c3ccncn3)nn2)C1 1000031657 YUHWIALQEMYTOG-LBPRGKRZSA-N 312.337 -0.232 30 20 DBED C=CCN[C@H]1CCCN(C(=O)c2c[nH]nc2S(N)(=O)=O)C1 1000147045 CQVZFYYVDMFSEK-VIFPVBQESA-N 313.383 -0.563 30 20 DBED CCN1CCO[C@@H](C(=O)N2CCN(C(=O)C#CC3CC3)CC2)C1 1011111260 IHLQWKLHNDFUGU-OAHLLOKOSA-N 319.405 -0.209 30 20 DBED CO[C@H](C(=O)N1CCN(C(=O)[C@H](C)C#N)CC1)c1cnn(C)c1 1011684475 OHQYQOGNJZAPLA-YPMHNXCESA-N 319.365 -0.062 30 20 DBED C#CCCN1CC[C@@H](NC(=O)[C@H]2C[C@H](OC)CN2C(C)=O)C1 1015403434 GGBGMLDRSXQNBS-QLFBSQMISA-N 307.394 -0.164 30 20 DBED C=CCN1CCC2(CC1)C[C@H]2NC(=O)CN1CCN(C)C(=O)C1 1016700039 NCBNSHXQJREOOW-CQSZACIVSA-N 320.437 -0.083 30 20 DBED C=CCN1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CCN(C)S1(=O)=O 1018053330 VFOPDDDAIQMTRT-FRRDWIJNSA-N 313.423 -0.119 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2CC[C@H](C)N(C(=O)C(N)=O)C2)c1 1018405169 RUYLCWYRQNJXEX-GXFFZTMASA-N 314.345 -0.343 30 20 DBED C=CCN1CC[C@@H](N[C@H]2CCN(C(=O)c3cnnn3C)C2)C1=O 1018795312 VKVDHEMISDYTSX-NWDGAFQWSA-N 318.381 -0.594 30 20 DBED Cn1cc(C(=O)N2CC[C@H]3CN(C(=O)C#CC4CC4)C[C@H]32)nn1 1021535614 VBQLNQXKRPVZDR-GXTWGEPZSA-N 313.361 -0.099 30 20 DBED C#CCN1CC[C@H]2[C@H](CCCN2C(=O)CN2CC(=O)NC2=O)C1 1021689037 UUHCFGKPBRXSEE-OLZOCXBDSA-N 318.377 -0.516 30 20 DBED C#CCN(C)[C@@H]1CCCN(C(=O)CN2C(=O)NC(=O)C2(C)C)C1 1027642045 RMELSIKUJJUVHH-GFCCVEGCSA-N 320.393 -0.127 30 20 DBED CC#CCN1CC(NC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1 1030951176 QEQYSSYCSWBYFK-LSDHHAIUSA-N 319.405 -0.020 30 20 DBED C#CCCN1CC(CNC(=O)c2cn(C[C@@H]3CCOC3)nn2)C1 1032082478 FDPQSWPYASBEQO-ZDUSSCGKSA-N 317.393 -0.001 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H]1CN[C@@H]1CCNC1=O 1034962311 IBTMHKPIHCRIRR-KFWWJZLASA-N 318.421 -0.447 30 20 DBED C=CCN1CCO[C@@H](CNC(=O)c2cnc3c(c2)nnn3C)C1 1035445553 DLZDCCORPFYWHU-LBPRGKRZSA-N 316.365 -0.020 30 20 DBED N#CCN1CCO[C@@H](CNC(=O)c2ccc(C(N)=O)cn2)C1 1035619775 BDKFXNGXIYWYQU-NSHDSACASA-N 303.322 -0.865 30 20 DBED N#CCN1CC[C@@H]2CN(C(=O)CN3C(=O)CCC3=O)CC[C@H]21 1036890682 WTSNCJFEUUEGBW-VXGBXAGGSA-N 304.350 -0.418 30 20 DBED N#Cc1ccc(C(=O)NC[C@@H]2CCN2[C@@H]2CCC(=O)NC2=O)[nH]1 1038172772 KGKVDWJEZGMOBY-CMPLNLGQSA-N 315.333 -0.504 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)CCc2ccon2)C1 1040764978 DIHLTSBZEDKFOY-NHYWBVRUSA-N 320.349 -0.154 30 20 DBED C=C(C)C(C)(C)C(=O)N1CC(O)(CNC(=O)CNC(C)=O)C1 1041216064 QVLOPCDGUGTWAP-UHFFFAOYSA-N 311.382 -0.586 30 20 DBED C[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1NC(=O)[C@H]1CCC(=O)N1 1041795325 UWRAVRYIBRSXKK-YUSALJHKSA-N 314.349 -0.432 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)Cc2ccn(C)n2)C1 1041956339 GRBIFOZXSGZBGF-UHFFFAOYSA-N 306.366 -0.382 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)c2n[nH]c(C)c2C)C1 1042040627 WNYLDOHWRNHAHZ-UHFFFAOYSA-N 322.365 -0.468 30 20 DBED C[C@@H]1C[C@@H]1C(=O)N1CC(O)(CNC(=O)c2ccc(C#N)[nH]2)C1 1042605739 OYWIYBVYCIZALZ-KOLCDFICSA-N 302.334 -0.155 30 20 DBED C=CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)[C@@H](C)COC)C1 1043570121 FZUCESJJOOCXDU-NWDGAFQWSA-N 314.382 -0.451 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2nonc2C)C1 1043720767 YKDVCNKDXHHFCZ-JTQLQIEISA-N 324.337 -0.728 30 20 DBED N#Cc1nccc(N2C[C@H](O)[C@H](NC(=O)c3cccnc3)C2)n1 1043827504 ZPWOKPFZQNLSSP-NEPJUHHUSA-N 310.317 -0.277 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CN(c3ccc(C#N)nn3)C[C@@H]2O)c1 1043887472 SPXRVJIPJGVRHK-OLZOCXBDSA-N 323.316 -0.472 30 20 DBED C=C[C@@H](C)[C@@H](C)C(=O)NCC1(O)CN(C(=O)Cc2nc[nH]n2)C1 1044981155 SXOHILUBVLBLFF-GHMZBOCLSA-N 321.381 -0.505 30 20 DBED C[C@@]1(C(=O)NCC2(O)CN(C(=O)C#CC3CC3)C2)CCCOC1 1045361776 DZYZFDJIPPLRRF-MRXNPFEDSA-N 320.389 -0.094 30 20 DBED Cc1ncc(CC(=O)N2CC(O)(CNC(=O)[C@H](C)C#N)C2)o1 1045553038 ZLDIFPCZDLDEGA-SECBINFHSA-N 306.322 -0.625 30 20 DBED Cc1nccc(C(=O)N2CC(O)(CNC(=O)[C@@H](C)C#N)C2)n1 1045555033 NDKWFROBKUYVGV-VIFPVBQESA-N 303.322 -0.752 30 20 DBED N#Cc1cc(C(=O)N2CCN([C@H]3CCN(CCO)C3)CC2)c[nH]1 1046022810 VTLNDDPGKVBSOK-HNNXBMFYSA-N 317.393 -0.289 30 20 DBED C=CCN1CC[C@H](N2CCN(C(=O)CCn3cnnn3)CC2)C1 1046073557 IWTKVSYECMLELO-AWEZNQCLSA-N 319.413 -0.532 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]c(C)cc2=O)C1 1047585554 AXAIZZXSJSGCRS-ZFWWWQNUSA-N 303.362 -0.176 30 20 DBED C=C(C)CN1C[C@H](O)[C@@H](N(C)C(=O)c2cncc(C(N)=O)c2)C1 1047630961 DLBYFPNPLANRQR-KBPBESRZSA-N 318.377 -0.126 30 20 DBED C#CCCN1CC[C@H]2[C@@H]1CCCN2C(=O)CN1CCNC(=O)C1 1049639313 OSWORMODDITZRE-GJZGRUSLSA-N 318.421 -0.493 30 20 DBED Cn1cnn(CCC(=O)N2CC3(CCN(CC#N)CC3)C2)c1=O 1050602389 OXNATIPZXJPQPI-UHFFFAOYSA-N 318.381 -0.580 30 20 DBED C=CCCn1cc(C(=O)NC[C@H]2COCCN2CCOC)nn1 1051156610 VHUCEFUTIMELIO-ZDUSSCGKSA-N 323.397 -0.069 30 20 DBED C=CCCN1CCOC[C@H]1CNC(=O)c1nccnc1C(N)=O 1051236435 GFEIKNQNGGEFEA-LLVKDONJSA-N 319.365 -0.418 30 20 DBED C=CCN1CCOC[C@H]1CNC(=O)c1nccnc1C(N)=O 1051237234 NPSHXYZOYARTOD-SNVBAGLBSA-N 305.338 -0.808 30 20 DBED C#CCN1CCN([C@H]2CCN(C(=O)c3cc[n+]([O-])cc3)C2)CC1 1051976628 HCVZBNKQTNWFTL-INIZCTEOSA-N 314.389 -0.215 30 20 DBED CCn1ncc(C(=O)N2CC[C@H](N3CCN(CC#N)CC3)C2)n1 1052022024 SMMSFCNELVBZBY-ZDUSSCGKSA-N 317.397 -0.346 30 20 DBED C[C@@H]1CN(C(=O)CSCC#N)C[C@@H]1CNC(=O)c1nc[nH]n1 1052043935 GFDJPMPYPQOONT-ZJUUUORDSA-N 322.394 -0.114 30 20 DBED C=CCN1CCN([C@H]2CCN(C(=O)[C@]3(C)CCNC3=O)C2)CC1 1052079503 BLBFLZKYWRFRAW-WMLDXEAASA-N 320.437 -0.083 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)[C@H]3CCN(C)C3=O)CO2)C1 1053893097 KBXFQJHXXOLYQA-CHWSQXEVSA-N 305.378 -0.553 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)[C@H]3C[C@H]3C(=O)N(C)C)CO2)C1 1053927348 ZJYYXXLRHLAUPL-HZSPNIEDSA-N 319.405 -0.307 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)[C@@H]3CCc4nncn4C3)CO2)C1 1054016524 FBIQSEPDDPZOFR-CHWSQXEVSA-N 315.377 -0.567 30 20 DBED C[C@H]1CN(C(=O)c2ccc(-n3cnnn3)cn2)C[C@H]1NCC#N 1054930857 UQRJZIJRVILPRU-GXFFZTMASA-N 312.337 -0.369 30 20 DBED C#CCCCCCC(=O)N1C[C@H]2CN(C(=O)C(N)=O)C[C@H]2C1 1055419493 YVKJYAJHERPBMB-BETUJISGSA-N 305.378 -0.028 30 20 DBED C=CCCC(=O)N1CCC[C@](CO)(NC(=O)c2nnn(C)n2)C1 1056055285 GYWNFNUGXYLPLR-AWEZNQCLSA-N 322.369 -0.740 30 20 DBED CC#CCCCC(=O)N1CCC[C@@](CO)(NC(=O)C(N)=O)C1 1056090701 HEIZZBBZKVMUCX-OAHLLOKOSA-N 309.366 -0.865 30 20 DBED N#Cc1ccc(N2C[C@H]3[C@H](NC(=O)[C@H]4COCCO4)[C@H]3C2)cn1 1056135183 MXVHSPRWEBUEDF-BARDWOONSA-N 314.345 -0.081 30 20 DBED Cc1nn[nH]c1C(=O)N[C@H]1[C@@H]2CN(c3cncc(C#N)n3)C[C@@H]21 1056363227 XNRUOQCMCHYDRU-IWIIMEHWSA-N 310.321 -0.361 30 20 DBED C#CCOCCC(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)CC(N)=O 1056403748 ZYVJTLKJDSEOOY-OLZOCXBDSA-N 321.377 -0.506 30 20 DBED Cc1cc(C#N)nc(N[C@@H]2CCN(C(=O)[C@H]3CNC(=O)N3)C2)n1 1056764121 JFECEVSQNDATJH-MWLCHTKSSA-N 315.337 -0.649 30 20 DBED CN(c1cnc(C#N)cn1)[C@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 1057011178 KBQAOBTYLXKYRT-NSHDSACASA-N 314.349 -0.349 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)C[C@H]1CCOC1 1057250653 LTJMTIRNAVNECR-CYBMUJFWSA-N 314.382 -0.447 30 20 DBED C#CCOCCC(=O)N(CCO)CCNC(=O)c1ccccn1 1057579099 IVTJVMJYGUAWHN-UHFFFAOYSA-N 319.361 -0.328 30 20 DBED C#CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)c1cccnn1 1057585008 UGTAITLBOSMDJA-LBPRGKRZSA-N 320.349 -0.934 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)C(C)(C)C(N)=O 1057879927 ISZJFHXLKRPCRY-UHFFFAOYSA-N 311.382 -0.906 30 20 DBED C#CCC1(C(=O)NCCN(CCO)C(=O)c2cnn[nH]2)CCC1 1058056588 CAFKAMJLGARBDK-UHFFFAOYSA-N 319.365 -0.451 30 20 DBED C[C@@H](C#N)C(=O)NCC[C@@H]1CCN(C(=O)c2cn(C)nn2)C1 1059586427 QLDASKCMHHMFGV-WDEREUQCSA-N 304.354 -0.057 30 20 DBED CNC(=O)NCCC(=O)NCC[C@@H]1CCN(C(=O)[C@@H](C)C#N)C1 1060289848 TUNGADVDLSINAN-NWDGAFQWSA-N 323.397 -0.180 30 20 DBED CN1CC[C@@H](C(=O)N2CC[C@@H](CN=c3cc[nH]c(C#N)n3)C2)C1 1060879711 LCJVFYJSLWABBL-QWHCGFSZSA-N 314.393 -0.018 30 20 DBED N#CCSCC(=O)NC[C@H]1COCCN1C(=O)c1cnn[nH]1 1061323436 PRVWXPAMCJEODV-VIFPVBQESA-N 324.366 -0.981 30 20 DBED C#CCOCCC(=O)N1CCOC[C@@H]1CNC(=O)c1ccon1 1061350353 QSJARJHTXQPPNM-LBPRGKRZSA-N 321.333 -0.328 30 20 DBED Cc1ncncc1C(=O)N1CCOC[C@@H]1CNC(=O)[C@H](C)C#N 1061848492 ZBROOWPRTJVRJZ-PWSUYJOCSA-N 317.349 -0.098 30 20 DBED C#CCNC(=O)CC(=O)NCC1(NC(=O)[C@@H]2C[C@H]2C)CCC1 1062829303 HQAFUDUDTAPKKN-VXGBXAGGSA-N 305.378 -0.063 30 20 DBED CN(C(=O)[C@H]1COC(=O)N1)[C@@H]1CCN(c2cncc(C#N)n2)C1 1062928633 NANXJSZBSGGKHL-GHMZBOCLSA-N 316.321 -0.506 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@@H]1CN(C(C)=O)CCO1 1064711946 UXRKBUHJMLIKNR-ZIAGYGMSSA-N 311.382 -0.179 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H]1CN(C(=O)c2cn[nH]c2)CCO1 1064902888 VTFOKZCZWACTEK-WCQYABFASA-N 320.349 -0.595 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H]1CN(C(=O)COCC=C)CCO1 1064972274 STSXEDIRKAROBX-ZIAGYGMSSA-N 324.377 -0.429 30 20 DBED C=CCOCC(=O)N1CCO[C@H](CNC(=O)c2cn(C)cn2)C1 1064976205 GSLHRGNAHBACLT-GFCCVEGCSA-N 322.365 -0.420 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H]1CCCN1C(=O)[C@@H]1CCNC1=O 1064983555 AOVIYLVBZSGXJS-QWHCGFSZSA-N 313.361 -0.086 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCO[C@@H](CNC(=O)COC)C1 1065097074 OELISBSEXMPIBL-SMDDNHRTSA-N 300.355 -0.697 30 20 DBED CCN(CC1CCN(C(=O)C(N)=O)CC1)c1cncc(C#N)n1 1067637594 FEMAIGZNXQPHFH-UHFFFAOYSA-N 316.365 -0.102 30 20 DBED N#Cc1cnccc1N1C[C@H](CNC(=O)c2cccnn2)[C@@H](O)C1 1067678857 VZAWADXAPNALNR-WFASDCNBSA-N 324.344 -0.030 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1COC2(C1)CN(C(=O)c1ncn(C)n1)C2 1069003477 NCWLGWBJFDOHST-UWVGGRQHSA-N 318.337 -0.926 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1COC2(C1)CN(C(=O)c1cn(C)nn1)C2 1069003988 REWZLZDAHSUBGG-UWVGGRQHSA-N 318.337 -0.926 30 20 DBED COC(=O)[C@@H]1C[C@@H]1C(=O)NCc1cnn2c1CN(CC#N)CC2 1069854454 JMNIQQLBJHBYSH-NWDGAFQWSA-N 317.349 -0.352 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)c2cnn(C)n2)CCOCC1 1070232637 NONKAAIIZGYLJM-JTQLQIEISA-N 320.353 -0.630 30 20 DBED Cn1cnc([C@@H]2CN(C(=O)c3nc[nH]n3)C[C@H]2NCC#N)c1 1070547154 STKMMDLNODOPOP-GXSJLCMTSA-N 300.326 -0.740 30 20 DBED C=C(C)CN1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)C(N)=O)n1 1070605163 FBUOBNPTSUBDIQ-NWDGAFQWSA-N 321.381 -0.028 30 20 DBED N#CCN1CCNC(=O)CCN(C(=O)[C@@H]2CCCOC2)CC1 1070945876 DNZIJJSSDGZLKB-CYBMUJFWSA-N 308.382 -0.413 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)CCc2cnn[nH]2)CC1 1071001391 VUSBHDHMRQJGPB-UHFFFAOYSA-N 318.381 -0.979 30 20 DBED C=C(C)CCC(=O)N[C@@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1C 1071553613 NARJQHLUXZYMBK-NWDGAFQWSA-N 306.370 -0.008 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)CNC(N)=O)C[C@@H]2C)C1 1071571074 YRYFLVZLHCGYDD-WDEREUQCSA-N 308.382 -0.026 30 20 DBED C#CCCCC(=O)N[C@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1C 1071726075 HAZDUEAOIUDKLK-NEPJUHHUSA-N 314.407 -0.202 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCN(C[C@H](O)Cn3cccn3)C2)C1 1072544100 AXWMFNDHLNRPHX-KGLIPLIRSA-N 317.393 -0.062 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)CCN3CCCC3=O)C[C@H]21 1074402581 IOUNQFKIELDKPX-HUUCEWRRSA-N 319.405 -0.066 30 20 DBED CC(C)C#CC(=O)NCC[C@H](C)NC(=O)[C@H]1CN(C)C(=O)N1 1076414863 OIXQNUIGLPLNCS-NWDGAFQWSA-N 308.382 -0.320 30 20 DBED C=CCN1CC[C@@H](N2C[C@@H](O)[C@H](NC(=O)C(C)(F)F)C2)C1=O 1076678067 LFSWUUHBKULRCV-GMTAPVOTSA-N 317.336 -0.410 30 20 DBED C=CCO[C@@H](C)C(=O)NCC[C@H](C)NC(=O)CCn1cnnn1 1077066769 XGCXCFBZBVSMLE-RYUDHWBXSA-N 324.385 -0.335 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2cnn3c(OC)cccc23)C1 1077082423 NXJIDIBFYAPYCF-TZMCWYRMSA-N 314.345 -0.249 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)c2ccnc3c2CC(=O)N3)C1 1077303724 ZXIVAGOAASCEID-CHWSQXEVSA-N 314.345 -0.626 30 20 DBED C#CCNC(=O)CC(=O)N(CC)C1CN(C(=O)CCOC)C1 1079644856 VFNFSOVSMFTALE-UHFFFAOYSA-N 309.366 -0.778 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN([C@H](C)C(N)=O)C[C@H]2C)cn1 1080801775 IKMHKMYBYQUYMD-JTNHKYCSSA-N 300.362 -0.013 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)c2cnnc(O)c2)C[C@H]1O 1081338022 LINCXJJTNUUOCA-VXGBXAGGSA-N 320.349 -0.303 30 20 DBED CC(F)(F)C(=O)N1C[C@H](O)[C@H](CNC(=O)C#CC2CC2)C1 1081469522 YFJLKKJSTLWAHB-MNOVXSKESA-N 300.305 -0.010 30 20 DBED C=CCCCC(=O)N1C[C@H](O)[C@H](CNC(=O)Cn2nccn2)C1 1081519647 JPNDUGLQVPCWDX-OLZOCXBDSA-N 321.381 -0.430 30 20 DBED N#CCSCC(=O)N1C[C@@H](O)[C@H](CNC(=O)CCCF)C1 1081659841 CVBHQIFNUXOSDX-GHMZBOCLSA-N 317.386 -0.072 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C[C@H]1C 1082508058 OIFALLWNEVXDEF-YRGRVCCFSA-N 315.377 -0.168 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)C[C@@H]1CCC(=O)N1C 1083161900 ZCXAAGFNZLQTAI-SOUVJXGZSA-N 319.405 -0.068 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)C1CCN(C(C)=O)CC1 1083269893 CHPQULSOTJSBKC-JKSUJKDBSA-N 319.405 -0.210 30 20 DBED C[C@H]1CC[C@@H](NC(=O)CC(N)=O)CN1c1cnc(C#N)cn1 1089127758 SMNBMFQUCKMOLB-VHSXEESVSA-N 302.338 -0.303 30 20 DBED N#Cc1ccc(N2CCCO[C@H](CNC(=O)C(N)=O)C2)cn1 1089557487 XMKHNOCTKILAGF-GFCCVEGCSA-N 303.322 -0.850 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(c2nccnc2F)C[C@H]1O 1090407883 FKPVKNFSDBOVGN-GPCCPHFNSA-N 310.329 -0.392 30 20 DBED Cn1cc(CC(=O)N[C@H]2CCN(CC#N)C[C@@H]2O)c(Cl)n1 1090564806 BBEQBXAYRSDTBR-QWRGUYRKSA-N 311.773 -0.309 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2ccc(NC(N)=O)cc2)[C@@H](O)C1 1090783710 NETXRLJTTREGFP-KGLIPLIRSA-N 316.361 -0.025 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1CNC(=O)c1cnc(O)n(C)c1=O 1092879997 UAJLFYBLQRZOHE-NXEZZACHSA-N 305.338 -0.693 30 20 DBED CC(=O)N(C)CC(=O)N1CCN(c2ccnc(C#N)n2)CC1 1093132767 XFINNVRUPXKOOW-UHFFFAOYSA-N 302.338 -0.525 30 20 DBED COC(=O)c1nc(=NCCNC(=O)c2c[nH]c(C#N)c2)cc[nH]1 1093558124 CFFPIDTXRCHVOT-UHFFFAOYSA-N 314.305 -0.273 30 20 DBED CC(=O)N1CCC[C@H]1C(=O)NCCCN=c1cc[nH]c(C#N)n1 1094511272 QCEADFXRPSJCRY-LBPRGKRZSA-N 316.365 -0.301 30 20 DBED N#CCN1CC(N2C[C@@H](NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)CC2=O)C1 1094790207 DJEVVHDJWNKKTK-ASEORRQLSA-N 318.377 -0.521 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)c3nccs3)CC2=O)C1 1094804078 RNGMHGSHASQOIK-SNVBAGLBSA-N 304.375 -0.209 30 20 DBED N#Cc1ccc(NC2CCN(C(=O)CCNC(N)=O)CC2)nn1 1095228682 QNIKJPDFQQJKLR-UHFFFAOYSA-N 317.353 -0.190 30 20 DBED N#Cc1cccnc1N1CC[C@@H](NC(=O)CCNC(N)=O)C1 1096378412 RFKIGXWKSOLELD-LLVKDONJSA-N 302.338 -0.293 30 20 DBED COC[C@@H](OC)C(=O)N[C@H]1C[C@@H](N=c2cc[nH]c(C#N)n2)C1 1097246171 JLHFRUQUWQOJQI-OUAUKWLOSA-N 305.338 -0.509 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@]23CCC[C@H]2CN(CC(N)=O)C3)c1 1098778598 OZENWAFQBBWVMO-NHYWBVRUSA-N 301.350 -0.044 30 20 DBED C[C@@H](CCNC(=O)[C@@H]1CCN(C)C1=O)N=c1cc[nH]c(C#N)n1 1099638100 IYYXWIMOZVKCMV-QWRGUYRKSA-N 316.365 -0.445 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)/C=C/C2CC2)[C@@H](O)C1 1099769178 OFXJZQXSQYBHSE-BEVHLOIGSA-N 305.378 -0.747 30 20 DBED C=CCOCC(=O)NCC1CC(NCc2nc(=O)n(C)[nH]2)C1 1100186734 IRGFJPSVTUZODA-UHFFFAOYSA-N 309.370 -0.705 30 20 DBED C#CCNC(=O)CC(=O)NCC1CC(NCc2nc(C)no2)C1 1100261699 KTTFWTLJTQIQRV-UHFFFAOYSA-N 319.365 -0.498 30 20 DBED CCN(CCNC(=O)Cc1nc[nH]n1)c1cnc(C#N)cn1 1100611594 IMTHFSPIGWIEPU-UHFFFAOYSA-N 300.326 -0.348 30 20 DBED C[C@@H](CC(N)=O)C(=O)NC[C@H]1CCCN1c1ccnc(C#N)n1 1100886712 OFFAFEYTOWXPKE-WDEREUQCSA-N 316.365 -0.055 30 20 DBED C[C@H](CC(N)=O)C(=O)NC[C@@H]1CCCN1c1ccc(C#N)nn1 1100886893 QIBHEFHDQRUJNE-PWSUYJOCSA-N 316.365 -0.055 30 20 DBED C=CCNC(=O)CNC1CC(CNC(=O)[C@@H]2CCN(C)C2)C1 1100982526 YEDBDCRVAZJMRZ-ROKHWSDSSA-N 308.426 -0.275 30 20 DBED CC#CCN1C[C@@H](C)[C@H](CNC(=O)CNS(=O)(=O)CC)C1 1102016865 RVHUXECJSATBSF-CHWSQXEVSA-N 315.439 -0.367 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)c1cc[n+]([O-])cc1 1103848106 LNGRYRPOIBKOCM-LLVKDONJSA-N 312.333 -0.118 30 20 DBED C[C@H](CNC(=O)c1cnn(C)n1)CNc1cnc(C#N)cn1 1104018976 MZDYUQPJOYAROK-VIFPVBQESA-N 300.326 -0.045 30 20 DBED C[C@H](CNc1nccnc1C#N)N(C)C(=O)[C@H]1CCC(=O)N1 1104495926 DQZXIJXIIYAZDQ-NXEZZACHSA-N 302.338 -0.114 30 20 DBED N#CCNCc1cn(C2CN(C(=O)C3=COCCO3)C2)nn1 1105144350 DHNDETJSMGAPNZ-UHFFFAOYSA-N 304.310 -0.837 30 20 DBED C#CCNCc1cn(C2CN(C(=O)c3ccc(O)nn3)C2)nn1 1105147331 URCXSBKIDKCQLG-UHFFFAOYSA-N 313.321 -0.806 30 20 DBED C=CCNCc1cn(C2CN(C(=O)[C@H]3CCC(=O)N3)C2)nn1 1105189634 IOLRSHFGGXRXFV-GFCCVEGCSA-N 304.354 -0.784 30 20 DBED CCNC(=O)CC(=O)NC[C@H](O)CNc1ccc(C#N)nc1 1105794752 LGAQXJRHGMTSFH-GFCCVEGCSA-N 305.338 -0.632 30 20 DBED CC(C)C#CC(=O)NC[C@H](O)CNc1ncnc2c1cnn2C 1105811515 CKKBGJZKUXCKOC-NSHDSACASA-N 316.365 -0.088 30 20 DBED Cc1cc(C(=O)NC[C@@H](O)CN=c2cc[nH]c(C#N)n2)cnn1 1105813829 SBLHIRCAEVPXIN-NSHDSACASA-N 313.321 -0.929 30 20 DBED CCn1nncc1C(=O)NC[C@@H](O)CNc1ccc(C#N)nn1 1105822992 XYVILDVEJGZFBZ-JTQLQIEISA-N 316.325 -0.838 30 20 DBED CO[C@H](C(=O)NC[C@@H](O)CNc1cnc(C#N)cn1)C1CC1 1105832461 CXFYLEIAKKNJQW-AAEUAGOBSA-N 305.338 -0.338 30 20 DBED Cc1ccc(C#N)c(NC[C@H](O)CNC(=O)c2cnn(C)n2)n1 1105899153 YLHTUETVNNLWRS-NSHDSACASA-N 315.337 -0.407 30 20 DBED CNC(=O)NCC(=O)N[C@H](C)CCN=c1cc[nH]c(C#N)n1 1106615326 AXDLSYLLHNTCAX-SECBINFHSA-N 305.342 -0.994 30 20 DBED N#Cc1ccc(NC/C=C\CNC(=O)C2(C(N)=O)CC2)nn1 1107480940 YLEISZRRIGBLDT-UPHRSURJSA-N 300.322 -0.302 30 20 DBED C#CCOCCC(=O)NC[C@@]1(C)CN([C@@H](C)C(N)=O)CCO1 1107939608 GMYGCGPZLRHULA-WFASDCNBSA-N 311.382 -0.893 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)[C@H]1CN(C)C[C@@H](C)O1 1108190616 BVUGEXFLQNGMOE-IJLUTSLNSA-N 318.381 -0.594 30 20 DBED C#CCCN1CCO[C@](C)(CNC(=O)c2ccc(C(N)=O)[nH]2)C1 1108219625 HDMZMCDDDWTLRI-MRXNPFEDSA-N 318.377 -0.042 30 20 DBED COCC#CCN1CCO[C@](C)(CNC(=O)c2cnn(C)n2)C1 1108279196 ZRQLKDAUHBXOIP-OAHLLOKOSA-N 321.381 -0.714 30 20 DBED C=C(C)CN1CC(N2C[C@@H](NC(=O)CNC(=O)CC)CC2=O)C1 1108524026 XQORIOSTJBBELD-LBPRGKRZSA-N 322.409 -0.510 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)[C@@H](C3CC3)N(C)C)CC2=O)C1 1108552569 PAZSKVGJSBRHKN-CZUORRHYSA-N 318.421 -0.639 30 20 DBED CO[C@@H](C(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1)C1CCC1 1108558142 BBTDDJMYVIZGHD-IUODEOHRSA-N 320.393 -0.274 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1CC(=O)N(C2CN(CC(=O)NC)C2)C1 1108560088 HHTUKMITFHMGAL-LLVKDONJSA-N 322.409 -0.654 30 20 DBED C[C@H](CN(C)c1cnc(C#N)cn1)NC(=O)COCCN(C)C 1109039115 IAUMOYIUYMPHLA-GFCCVEGCSA-N 320.397 -0.133 30 20 DBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cn(C)nn1 1109229406 RTDBTPWIFWTGCY-MDZLAQPJSA-N 318.381 -0.548 30 20 DBED CN(CCCNc1cncc(C#N)n1)C(=O)Cn1nccn1 1109539336 VOUCWJAFHNTBTI-UHFFFAOYSA-N 300.326 -0.100 30 20 DBED Cc1cc(=NC[C@H](NC(=O)CNC(N)=O)C2CC2)c(C#N)c[nH]1 1109753974 ONGVKRDLNUEQTF-ZDUSSCGKSA-N 316.365 -0.341 30 20 DBED N#Cc1ccc(NC[C@H](NC(=O)[C@@H]2CNC(=O)N2)C2CC2)cn1 1109963818 QBNCXXHYZNHKNZ-STQMWFEESA-N 314.349 -0.059 30 20 DBED CC(=O)NCC(=O)N1CC[C@@](C)(CN=c2cc[nH]c(C#N)n2)C1 1110825769 REIXWHFMFITVSK-HNNXBMFYSA-N 316.365 -0.443 30 20 DBED N#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCCS(N)(=O)=O 1110963251 UJWAKBZBPXJHFQ-MXWKQRLJSA-N 300.384 -0.700 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H]1COCCN1c1cc(F)ncn1 1111699869 DJQOQTKCPLZHQT-RYUDHWBXSA-N 322.340 -0.025 30 20 DBED CN(CCCN(C)c1nccnc1C#N)C(=O)CNC(N)=O 1112034098 REIKVLYKDIAVIQ-UHFFFAOYSA-N 305.342 -0.699 30 20 DBED C=CCCO[C@@H](C)C(=O)N1CCN(Cc2nnn(C)n2)CC1 1112676487 NCBNJKXWXPQULA-LBPRGKRZSA-N 308.386 -0.165 30 20 DBED COCC(=O)NC[C@H]1CN(c2snc(C)c2C#N)C[C@@H]1O 1112693132 XNOGBMQJUMNCBC-ONGXEEELSA-N 310.379 -0.117 30 20 DBED C#CCNC(=O)CC(=O)N1CCN(Cc2nccs2)CC1 1112774277 PFUNSSMJGHOYEY-UHFFFAOYSA-N 306.391 -0.073 30 20 DBED CNC(=O)NCCC(=O)N[C@@H](C)[C@H](C)Nc1cnc(C#N)cn1 1113000598 DIVFPZBSTPFOFH-UWVGGRQHSA-N 319.369 -0.028 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)c2cc(C(N)=O)co2)CC1 1113339436 VLHYFRQPGIETGS-UHFFFAOYSA-N 320.349 -0.562 30 20 DBED CN1CC[C@H](N2C[C@@H]3C(NC(=O)CSCC#N)[C@H]3C2)C1=O 1113898771 BLGLNIKXSAEJLZ-DCAQKATOSA-N 308.407 -0.480 30 20 DBED C=CCCC(=O)NC1[C@@H]2CN(CCN(C)S(C)(=O)=O)C[C@@H]12 1114019911 CKGUVXXSHSQLMS-VXGBXAGGSA-N 315.439 -0.110 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@H]1[C@@H]2CN(CCn3cncn3)C[C@@H]21 1114193749 HBHSTHRJCZTIDU-MXYBEHONSA-N 305.382 -0.348 30 20 DBED C=C[C@](C)(O)CC(=O)NC1[C@@H]2CN(CC(=O)N(C)CC)C[C@@H]12 1114194713 UQJQVNRZSWOJNE-HSMVNMDESA-N 309.410 -0.162 30 20 DBED CC(C)C#CC(=O)NC1[C@H]2CN(CCNS(C)(=O)=O)C[C@H]12 1114247523 LVUKATMFQQJSSD-RYUDHWBXSA-N 313.423 -0.759 30 20 DBED CC#CCN1C[C@H]2C(NC(=O)[C@@H](CCC)S(N)(=O)=O)[C@@H]2C1 1114621949 UKDPNSWTJZPKIH-IJLUTSLNSA-N 313.423 -0.487 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3csc(O)n3)[C@H]2C1 1114711930 CNQPVAVZRZTQSY-GDGBQDQQSA-N 322.390 -0.189 30 20 DBED C#Cc1cncc(C(=O)NC2[C@H]3CN(CC(=O)NCC)C[C@H]23)c1 1114807865 GZTBESRUUGBZJB-KBPBESRZSA-N 312.373 -0.141 30 20 DBED C[C@H](CN(C)C(=O)[C@H]1COC(=O)N1)Nc1cncc(C#N)n1 1115702718 LAXJRCALLAANMK-PSASIEDQSA-N 304.310 -0.285 30 20 DBED CC#CCCNC(=O)C(=O)NC1CCN(CCN(C)C)CC1 1117008144 HYRGQLDPZYFEKL-UHFFFAOYSA-N 308.426 -0.342 30 20 DBED COC(=O)N(C)CCNC(=O)C(=O)Nc1ccn(CCC#N)n1 1118520110 IYYGRYJWOAVUIP-UHFFFAOYSA-N 322.325 -0.450 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C[C@@H](C)Nc1nccn2nnnc12 1120093938 SSUSXAIHGVRXJM-GHMZBOCLSA-N 317.353 -0.184 30 20 DBED C[C@H](CN(C)C(=O)CC(=O)N(C)C)N=c1cc[nH]c(C#N)n1 1120752422 NFBHMLBNHPWSHH-SNVBAGLBSA-N 304.354 -0.493 30 20 DBED Cn1cnc(C(=O)NC[C@H](CO)Nc2ccc(C#N)nn2)c1 1121303854 RMYSQHDJJLJAQJ-SNVBAGLBSA-N 301.310 -0.715 30 20 DBED Cc1ccc(C#N)c(N[C@H](CO)CNC(=O)[C@@H]2COC(=O)N2)n1 1121387972 YPHDVGVHDFBMBF-QWRGUYRKSA-N 319.321 -0.741 30 20 DBED CC[C@@H](SC)C(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1 1121455969 SZDDTUCEMZKIRG-VHSXEESVSA-N 309.395 -0.199 30 20 DBED N#Cc1nccnc1N[C@H](CO)CNC(=O)c1ccc(O)nc1 1121549721 FPLVCVOFCQEKMH-JTQLQIEISA-N 314.305 -0.348 30 20 DBED C[C@]1(C(=O)NC[C@H](CO)N=c2cc[nH]cc2C#N)CCOC1 1121913925 HZLIOSBERZCLIB-DOMZBBRYSA-N 304.350 -0.309 30 20 DBED COCC(C)(C)C(=O)N(C)C[C@H](O)CN=c1cc[nH]c(C#N)n1 1124596676 PSGVHQULFDVIAS-LLVKDONJSA-N 321.381 -0.326 30 20 DBED C#CCNC(=O)CC(=O)NCCN[C@H](C)c1nnc(CC)o1 1125997946 ICPSYMLFVFSROU-SNVBAGLBSA-N 307.354 -0.462 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)c1cc[nH]c1 1127922774 ZVGGXAVTTVBIAG-SNVBAGLBSA-N 307.354 -0.266 30 20 DBED COCC#CCNCCNC(=O)[C@@H]1CCCCS1(=O)=O 1129335535 UQYKROZGPGRXDM-LBPRGKRZSA-N 302.396 -0.691 30 20 DBED CC#CCN1CC[C@H](Oc2cnccc2CNC(=O)C(N)=O)C1 1130323120 AUKWFZYELVXCIS-ZDUSSCGKSA-N 316.361 -0.341 30 20 DBED C=CCOCCN1C[C@H]2C[C@H]3CN(C(=O)CC(N)=O)C[C@@]3(C1)O2 1131204513 VNTGGVBTVNWJFJ-WOSRLPQWSA-N 323.393 -0.634 30 20 DBED C#CCNC(=O)CN1C[C@H](NC(=O)Cc2ncc[nH]2)CC[C@@H]1C 1132381400 XUBPINZGROJTJW-QWHCGFSZSA-N 317.393 -0.329 30 20 DBED COCC#CCN1C[C@H](NC(=O)Cc2nc[nH]n2)CC[C@H]1C 1132416411 FCOAATAAMRWRMR-CHWSQXEVSA-N 305.382 -0.034 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CCC(=O)N1C(C)C 1132808256 QQDIYLFZCVPOTK-OLZOCXBDSA-N 322.409 -0.771 30 20 DBED Cc1nc(N(C)C)sc1C(=O)NCCNCC(=O)NCC#N 1134868174 DANWSLQQYDMWKV-UHFFFAOYSA-N 324.410 -0.523 30 20 DBED N#CCNC(=O)CNCCNC(=O)[C@@H]1[C@@H]2Cc3ccccc3[C@H]21 1134896014 KCMSQGPRBLGWGI-FVQBIDKESA-N 312.373 -0.082 30 20 DBED CC#CCN[C@@H](C)C[C@H](C)NC(=O)c1cn(C)c(=O)n(C)c1=O 1135596149 JZIFNMVXAIKERS-RYUDHWBXSA-N 320.393 -0.406 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)CN(C)CCC 1135976945 OLPLJALQKQHHLP-ZIAGYGMSSA-N 310.442 -0.050 30 20 DBED C=CCOCCNCCNC(=O)c1cn(C[C@H]2CCOC2)nn1 1136000347 DTRGGXIFLDYMDJ-CYBMUJFWSA-N 323.397 -0.163 30 20 DBED COCC#CCN1CCC2(C1)CN(C(=O)c1ccc(O)nn1)C2 1146945503 JGVQUDXRGXGKBZ-UHFFFAOYSA-N 316.361 -0.020 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1c(C)nn(CCC)c1C 1147092585 BKNHLEMVSQWQGB-UHFFFAOYSA-N 319.409 -0.021 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1conc1COC 1147556815 JUEXOUKBJKVRJV-SNVBAGLBSA-N 308.338 -0.722 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@@H](CC(C)C)NC(C)=O 1148484821 KATWPQUKWWWMDV-CYBMUJFWSA-N 312.414 -0.455 30 20 DBED C=CCNC(=O)CN(CC)[C@H](C)CNC(=O)CNC(=O)C1CC1 1152076905 TXCKTBXGPYZPHQ-GFCCVEGCSA-N 324.425 -0.359 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@@H](C)c1c(C)nn(C)c1C 1153660539 WMSYIGIEAJMXHL-NSHDSACASA-N 319.409 -0.404 30 20 DBED C=CCNC(=O)CN(CC)[C@H](C)CNC(=O)[C@@H]1CCNC1=O 1154601714 FOURNOZLMHSBFZ-VXGBXAGGSA-N 310.398 -0.749 30 20 DBED C#CCO[C@@H](C)C(=O)NCCCNCC(=O)NCC(F)(F)F 1157869878 UDNOYYLPXZEHEC-JTQLQIEISA-N 323.315 -0.201 30 20 DBED N#CCNC(=O)CNCC1(CCNC(=O)c2cc[nH]n2)CC1 1163523782 LCEIJIZHAFMNKA-UHFFFAOYSA-N 304.354 -0.461 30 20 DBED C=C[C@@H](C)[C@@H](C)C(=O)NCCCNCC(=O)N1CCNC(=O)C1 1164223995 ZAXQFSVSBUNMRY-CHWSQXEVSA-N 324.425 -0.501 30 20 DBED COCC#CCNCC1(CCNC(=O)c2cnnn2C)CC1 1164381083 GUXDJFFFVQSQQP-UHFFFAOYSA-N 305.382 -0.045 30 20 DBED C[C@@H](CCCCNCC(=O)NC(N)=O)NC(=O)C#CC1CC1 1170673955 JQEZDKDTPYLGCE-NSHDSACASA-N 308.382 -0.141 30 20 DBED C=C(C)CN1CCO[C@@H]2CCN(C(=O)CNC(=O)NC)C[C@H]21 1177024603 JCZIZBKPVZGZHV-CHWSQXEVSA-N 310.398 -0.207 30 20 DBED C#CCNC(=O)CNCCCCCCNC(=O)[C@@H](C)NC(C)=O 1177839744 NNXRNJKESWVLFO-CYBMUJFWSA-N 324.425 -0.473 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)[C@H]2CCOC2)[C@H]1C 1178809270 WIYABPLRIJDPRT-RFGFWPKPSA-N 307.394 -0.260 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2cccn2C)C1 1180993098 DVKKPZJNAFVGAI-QWHCGFSZSA-N 302.378 -0.033 30 20 DBED C=CCOCC(=O)N1CC[C@H](CNCc2nnnn2C)[C@@H](C)C1 1184087172 AFCCHFDDOWAYSD-QWHCGFSZSA-N 322.413 -0.013 30 20 DBED N#CCNC(=O)CN[C@@H]1CCN(C(=O)CCc2ccon2)C1 1184248209 MUMICXDLZFNLLI-GFCCVEGCSA-N 305.338 -0.563 30 20 DBED C#CCCN[C@@H]1CCN(C(=O)[C@H]2CCc3nnnn3CC2)C1 1185775833 LKIYMEPOWADSOO-QWHCGFSZSA-N 302.382 -0.161 30 20 DBED N#CCN1C[C@@H]2CCN(C(=O)CCCN3C(=O)CNC3=O)[C@@H]2C1 1190108137 PCRRXKDODQWTSO-NWDGAFQWSA-N 319.365 -0.625 30 20 DBED C=CCOCCN(C)[C@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 1190712355 LWRQBGDMPOXBRZ-RYUDHWBXSA-N 324.381 -0.680 30 20 DBED Cc1ccc(C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@H]2O)o1 1190831771 PCRQICWIZNPJSB-GHMZBOCLSA-N 306.322 -0.997 30 20 DBED COc1ncc(CN2C[C@@H](O)[C@H](NC(=O)[C@H](C)C#N)C2)c(C)n1 1191854456 NCLVSQWWMIDCEQ-OASPWFOLSA-N 319.365 -0.385 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)C2=CCCC2)C1 1192195511 KEFIUWPXHNVKEX-MRVWCRGKSA-N 305.378 -0.604 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CN(CCOCC(F)F)C[C@H]1O 1192822304 XYBATGCNNLSDJP-VXGBXAGGSA-N 302.321 -0.157 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@H]2O)C1 1196030710 QOTHGQZWFUDJCK-VXGBXAGGSA-N 306.366 -0.856 30 20 DBED C=CCNC(=O)CNC[C@H]1CN(C(=O)[C@@H](C)OC)CCCO1 1199977932 VCRCTKMOHKGAPV-OLZOCXBDSA-N 313.398 -0.469 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC(N[C@H]2CCN(C)C2=O)CC1 1200542310 YLCRZWMYIXRPCC-JSGCOSHPSA-N 307.394 -0.164 30 20 DBED C#CCNCC1CCN(C(=O)CC[C@@H]2NC(=O)NC2=O)CC1 1206917516 KAZMEWOTJIXGDF-LBPRGKRZSA-N 306.366 -0.564 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCN(C(=O)C2CCOCC2)C1 1207022082 RPXKZSBFVZKVTE-CYBMUJFWSA-N 308.382 -0.367 30 20 DBED CCCNC(=O)NC(=O)CN[C@H]1CCCN(C(=O)[C@H](C)C#N)C1 1207688435 PEQCQEOHJJZYOP-NEPJUHHUSA-N 323.397 -0.038 30 20 DBED C[C@@](O)(CC(=O)N1CCC[C@H](NCC(=O)NCC#N)C1)C1CC1 1207821581 YOUCFMPUHOTRKA-XJKSGUPXSA-N 322.409 -0.242 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)C(C)(C)COC)C1 1208567317 WHRNOJZDJDSHFM-ZDUSSCGKSA-N 309.410 -0.011 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)[C@]2(C)CCNC2=O)[C@H](C)C1 1208575373 OWKZIUUSDCLHDR-XHBSWPGZSA-N 322.409 -0.749 30 20 DBED COCC#CCN[C@@H]1CCCN(C(=O)[C@@]2(C)CNC(=O)C2)C1 1208688931 YAZACPASVSNWLR-CZUORRHYSA-N 307.394 -0.257 30 20 DBED C#CCCN[C@H]1CCCN(C(=O)c2cnc(O)n(C)c2=O)C1 1208900487 HOGGNCDNPXQSQQ-NSHDSACASA-N 304.350 -0.297 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)[C@@H](OC)C(C)C)C1 1209446762 UWVHPBCRXQLHPT-ZFWWWQNUSA-N 309.410 -0.013 30 20 DBED N#CCN[C@H]1CCCN(C(=O)CNC(=O)c2cccnc2)C1 1209755612 OPJDAYYWEILTDX-ZDUSSCGKSA-N 301.350 -0.084 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)C[C@@H](C)NC(N)=O)C[C@H]1C 1214624503 VSDRXQVXIXCISP-JHJVBQTASA-N 310.398 -0.480 30 20 DBED C#CCCN[C@@H]1CN(C(=O)CCN2C(=O)CCC2=O)C[C@H]1C 1215092211 FHBLPZSCJDEZPE-CHWSQXEVSA-N 305.378 -0.015 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C[C@H](C)SC)C1 1219475644 ANLSPCCMPDJGOJ-TUAOUCFPSA-N 313.423 -0.961 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2nnc(CC)o2)C[C@@H]1O 1219605469 SRWKETHSMNMJLA-UTUOFQBUSA-N 322.365 -0.668 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)[C@H](OC)C2CCC2)C1 1220087784 HOKYNSZAYNFQFC-QLFBSQMISA-N 310.394 -0.387 30 20 DBED C=C[C@H](CC)CC(=O)N[C@@H]1CN(Cc2nnnn2C)C[C@@H]1O 1220203674 NFVNGWNSSSFGQE-UTUOFQBUSA-N 308.386 -0.526 30 20 DBED C=C[C@](C)(CC)C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[nH]2)C[C@@H]1O 1220291835 ICZUABOHTACGTG-JRPNMDOOSA-N 323.397 -0.628 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CN(CCCCOC)C[C@@H]2O)nn1 1220504687 MZJSLRRSJNDOMC-OCCSQVGLSA-N 323.397 -0.334 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)c2cc3c([nH]2)CCC3)C1 1220737969 IWBDOKGRQLZLSB-CVEARBPZSA-N 317.389 -0.072 30 20 DBED C=CCN1CCS(=O)(=O)[C@H](CCNC(=O)c2ncccn2)C1 1230511949 FFEFNNWYMVLCTL-GFCCVEGCSA-N 324.406 -0.119 30 20 DBED C[C@@H](C#N)C(=O)N(C)C[C@@H]1CCN1CCN(C)S(C)(=O)=O 1231294627 ZHJFBZCLJXFFET-RYUDHWBXSA-N 316.427 -0.430 30 20 DBED C#CCNC(=O)[C@H](C)N(C)CCCNC(=O)c1cnccn1 1231372539 WQCAUHIDCDGCNT-LBPRGKRZSA-N 303.366 -0.334 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C[C@H]1CCN1Cc1nnnn1C 1234216484 YEWKTDROPHIGOS-VXGBXAGGSA-N 306.370 -0.719 30 20 DBED CC1(Cn2cc(C(=O)N3CCN(CC#N)CC3)nn2)COC1 1254774998 FZDIGJSGKGZRIU-UHFFFAOYSA-N 304.354 -0.404 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)NCc1cccc(C(=O)NC)c1 1261148510 BNSHEKVLDFDRFN-ZDUSSCGKSA-N 319.361 -0.020 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[C@H]3OCC[C@@H]23)CCO1 1261161765 CDLUWMDVVPBYBY-YVECIDJPSA-N 307.350 -0.189 30 20 DBED NS(=O)(=O)CCCCCC(=O)N[C@H]1CCCN(O)C1=O 1261549867 HTMWJVMNMWYISN-VIFPVBQESA-N 307.372 -0.668 30 20 DBED Cn1cnn(CC(=O)[C@H](C#N)c2nc(N)c3ccccc3n2)c1=O 1263292981 YRTADSSMBPDKES-JTQLQIEISA-N 323.316 -0.016 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CC[C@@H](OCCOC)C1)[C@@H]1CCCO1 1323818903 BMVWXISKFRVVJX-RDBSUJKOSA-N 324.377 -0.453 30 20 DBED C=CCn1cc(C(=O)OCC(=O)N2CCC(C(N)=O)CC2)nn1 1326331338 VVJCRNBGTVGJCZ-UHFFFAOYSA-N 321.337 -0.655 30 20 DBED N#CCNC(=O)CNC(=O)C(=O)Nc1ccc2c(c1)COC2 1326871371 OAFWPRLXXOMYPS-UHFFFAOYSA-N 302.290 -0.589 30 20 DBED C#C[C@H](NC(=O)C(=O)N(C)Cc1nnc(C)o1)[C@H]1CCCO1 1328452642 SRSZONMFOASJKW-WDEREUQCSA-N 306.322 -0.367 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](C(F)F)C2)CCO1 1329751817 QSUORIQDCKFIIP-RKDXNWHRSA-N 303.265 -0.770 30 20 DBED C=CCN(C(=O)C(=O)N1CC[C@H](CC(N)=O)C1)[C@@H](C)COC 1333466484 DLIBUVOSNVDNRX-NWDGAFQWSA-N 311.382 -0.240 30 20 DBED CC#CCN(C)c1nnnn1C[C@H]1CC[C@H](C(=O)N(C)C)O1 1335865657 GTLDCBDKFOVPTQ-VXGBXAGGSA-N 306.370 -0.232 30 20 DBED C=CCn1c(CCO)nnc1N1CCN(CC(=O)N(C)C)CC1 1340593587 KITUWNKGYAQFCR-UHFFFAOYSA-N 322.413 -0.791 30 20 DBED C=CCN1CCC(NC(=O)C(=O)N2CCn3cnnc3C2)CC1 1341899337 QDMJYANDCWEIKJ-UHFFFAOYSA-N 318.381 -0.613 30 20 DBED C#C[C@@H](NC(=O)C(=O)NC1CCN(C(C)=O)CC1)[C@@H]1CCCO1 1344867892 SXUPVPZOZYGDCO-KGLIPLIRSA-N 321.377 -0.590 30 20 DBED C[C@H](CS(C)(=O)=O)NC(=O)C(=O)NCC#Cc1ccccc1 1344907594 CPUKJFVUJYGNCA-GFCCVEGCSA-N 322.386 -0.296 30 20 DBED C[C@H](CNC(=O)[C@H](C)C#N)NC(=O)C(C)(C)S(C)(=O)=O 1373073984 OWJSJVGZPQSEGI-RKDXNWHRSA-N 303.384 -0.410 30 20 DBED N#Cc1ccc(CN2CC[C@@H]2CNC(=O)Cn2cnnn2)cc1 1379942526 LYDJSSZTIZUXIO-CQSZACIVSA-N 311.349 -0.065 30 20 DBED CO[C@@H](C)C(=O)NCc1cc(O)nc(CNC(=O)[C@@H](C)C#N)n1 1384645415 TUNLOYVUDAHBHW-IUCAKERBSA-N 321.337 -0.391 30 20 DBED COc1ccnc(C(=O)NC[C@H](O)CNC(=O)[C@H](C)C#N)c1 1389096397 AQGURJMCCOFMIG-NXEZZACHSA-N 306.322 -0.543 30 20 DBED CC(C)NC(=O)CNC[C@@H](O)CNC(=O)c1cc(C#N)c[nH]1 1401502805 HWJYGWKFOWEOJB-LLVKDONJSA-N 307.354 -0.909 30 20 DBED COCC(=O)N(C)CC(=O)N1CC[C@@H](N(C)C(=O)[C@@H](C)C#N)C1 1407193309 VGUWMEXMRIHVDI-NWDGAFQWSA-N 324.381 -0.690 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@](C)(CNC(=O)CCNC(N)=O)C1 1411118622 LUPOYPIWQVAUQG-IAQYHMDHSA-N 323.397 -0.051 30 20 DBED N#CC1(C(=O)NCCc2nnc3n2CCNC3=O)CCOCC1 1419620092 JLPYHMZCDCYGPH-UHFFFAOYSA-N 318.337 -0.999 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@@H](C)CNC(=O)c1ccc(=O)n(C)n1 1426832750 OAZSLUJCUJTNEW-UWVGGRQHSA-N 305.338 -0.483 30 20 DBED C[C@@H](CNC(=O)c1ccc(=O)n(C)n1)N(C)C(=O)[C@H](C)C#N 1426832759 OAZSLUJCUJTNEW-ZJUUUORDSA-N 305.338 -0.483 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CCN(C(=O)COCc2nncn2C)C1 1427802208 JCICTFDOFZVVEF-WDEREUQCSA-N 320.353 -0.792 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)N2CC[C@H](O)[C@H](CO)C2)cc1 1434098977 LVMBECWXNCEAKM-KBPBESRZSA-N 317.345 -0.510 30 20 DBED Cc1cc(OCC(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)no1 1445655537 UJPSTJLRQYQGLM-IEBDPFPHSA-N 322.321 -0.791 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CN(C)C(=O)c1n[nH]c2c1CCC2 1451889994 LQPUQSWYIYMXNW-ZJUUUORDSA-N 319.365 -0.393 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CCCN(C(=O)c2cnn(C)c2N)C1 1453862033 PKAYKQWVVCNDCP-UWVGGRQHSA-N 304.354 -0.117 30 20 DBED CCn1cc(C(=O)NC[C@@]2(O)CCN(C(=O)[C@H](C)C#N)C2)cn1 1454083028 PIKGSFMREVRTEC-ABAIWWIYSA-N 319.365 -0.244 30 20 DBED CNC(=O)[C@@H]1CN(C(=O)Nc2cnc(OC)c(C#N)c2)CCO1 1467270498 SCHGKEWRWXKWKM-NSHDSACASA-N 319.321 -0.059 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(N(C)C(=O)CCNC(N)=O)CC1 1487570508 ZZZFILGYWZIOFG-JTQLQIEISA-N 309.370 -0.346 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1cccnc1N(C)C 1501526086 NWAAKMDDFSAYDF-MNOVXSKESA-N 319.365 -0.486 30 20 DBED CCC(=O)NCC(=O)NC[C@H]1CN(C(=O)[C@@H](C)C#N)CCCO1 1512346983 TWJCENRCPAWOIZ-RYUDHWBXSA-N 324.381 -0.594 30 20 DBED CO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1NC(=O)C1(N(C)C)CCC1 1513386752 UFDOMRJUOANIIE-JHJVBQTASA-N 322.409 -0.028 30 20 DBED C=CCN1CC[C@@H](N2C[C@H]3[C@H](NC(=O)CNC(=O)O)[C@H]3C2)C1=O 1573367995 GJSDFPSVITTYCF-XZUYRWCXSA-N 322.365 -0.913 30 20 DBED C[C@H](C#N)C(=O)NC/C=C\CN=c1cc[nH]cc1-c1nn[nH]n1 1573581939 APSJKHPTCJKNGN-MXQLGCADSA-N 312.337 -0.072 30 20 DBED N#Cc1ccc(NCC(=O)N[C@@H]2CN(C(=O)O)C[C@H]2CO)nc1 1574249601 KASLDUKIYJOREA-WDEREUQCSA-N 319.321 -0.548 30 20 DBED COC(=O)[C@@]1(F)CCN(c2cnc(-c3nn[nH]n3)c(C#N)n2)C1 1579438512 IYTIOJJIFPTXFM-GFCCVEGCSA-N 318.272 -0.380 30 20 DBED C#CC[C@@H](NC(=O)c1ccnc2c(C(N)=O)cnn12)C(=O)O 1588417188 ZRTQUYDLTKXBCH-MRVPVSSYSA-N 301.262 -0.966 30 20 DBED CC#CCN(C)CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cn1 1588747609 NTJKOMNGHFBJRD-UHFFFAOYSA-N 320.378 -0.010 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)c2ccc(C(=O)O)[nH]2)CC1 1588839819 WJGDVNIBHZDDBP-UHFFFAOYSA-N 320.349 -0.227 30 20 DBED CC(C)(C)NC(=O)CNC(=O)CN1CCC(C#N)(C(=O)O)CC1 1589823668 NHQLPYNPDQAXAU-UHFFFAOYSA-N 324.381 -0.292 30 20 DBED Cn1cc(C[C@@H](CO)CNC(=O)[C@@](C)(C#N)CC(=O)O)cn1 1594541568 CINFEJHPJCBQGE-BXUZGUMPSA-N 308.338 -0.308 30 20 DBED C=CCCC[C@@H](NS(=O)(=O)N1CCO[C@H](C#N)C1)C(=O)O 1602869063 AHJZUYCODBSGLG-GHMZBOCLSA-N 317.367 -0.145 30 20 DBED C=CCCO[C@@H](C)C(=O)NC[C@]1(C(=O)O)C[C@@H]1S(C)(=O)=O 1602881029 HVHYDNLYNMINHH-OUJBWJOFSA-N 319.379 -0.028 30 20 DBED Cn1c(N2CC[C@H](c3nc[nH]n3)C2)c(C#N)c(=O)n(C)c1=O 1647331597 ZCLRVASEWNEUCI-QMMMGPOBSA-N 301.310 -0.932 30 20 DBED C=C(C)CN(CC)C(=O)CN[C@H](C)CNC(=O)c1nnn(C)n1 1752892419 CEOFRVXHHXNPQZ-LLVKDONJSA-N 323.401 -0.657 30 20 DBED C#CCCN1CCN(CCN(C)C(=O)[C@H]2CC[C@@H]2C(N)=O)CC1 1753342276 NPEXWJKLUVTQTM-GJZGRUSLSA-N 320.437 -0.403 30 20 DBED C#CCO[C@H](C)C(=O)N(C)[C@@H]1CCN(Cc2cnnn2C)C1 1753438448 ZKNHHVCTPURPQJ-CHWSQXEVSA-N 305.382 -0.114 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(Cc2ncnn2C)CCO1 1753648779 NAZNBUBZHVESMM-ZDUSSCGKSA-N 305.382 -0.209 30 20 DBED COCC#CCNC[C@H](C)N(C)C(=O)[C@@H]1CCc2nncn2C1 1753729144 HJQAOZMOCBUPLM-UONOGXRCSA-N 319.409 -0.073 30 20 DBED C#CCNC(=O)CNC1(CNC(=O)CN2CC[C@@H](C)C2)CC1 1754524851 TVQUJWLIZNABNN-CYBMUJFWSA-N 306.410 -0.684 30 20 DBED N#CCN1CC2(CC[C@H](CNC(=O)CN3CCCNC3=O)O2)C1 1755054359 MTLQBPKKGAKQTN-GFCCVEGCSA-N 321.381 -0.725 30 20 DBED CC#CCN[C@]1(CO)CCCN(C(=O)[C@H](C)n2cncn2)C1 1755084715 RCMGCCOPLOBXPW-DZGCQCFKSA-N 305.382 -0.195 30 20 DBED CCc1cc(C(=O)N[C@H]2C[C@H](CNCC(=O)NCC#N)C2)n[nH]1 1755466144 JDDBZSQAIIMPMG-UMSPYCQHSA-N 318.381 -0.290 30 20 DBED CC(C)C#CC(=O)NC[C@H](CO)NCc1nc(N(C)C)no1 1755628353 RQYJSBYWBAFOLW-LLVKDONJSA-N 309.370 -0.638 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)Cc2cnc(C)o2)[C@@H]1C 1755653495 GCQKISQIPVWDAF-RISCZKNCSA-N 318.377 -0.146 30 20 DBED C=CCNC[C@@H](O)CN(C)C(=O)c1ccc(-n2cncn2)nc1 1755784503 PCVCYLPLMYLMAT-CYBMUJFWSA-N 316.365 -0.129 30 20 DBED C#CCN(C)C[C@H](O)CN(C)C(=O)CN1CCCCCC1=O 1755807110 CDCIFDGWMIMODA-AWEZNQCLSA-N 309.410 -0.227 30 20 DBED C#CCOCCC(=O)N1CC([C@@H](C)NC(=O)CC(=O)NCC)C1 1756136235 GOLNTWOBXJFLDY-GFCCVEGCSA-N 323.393 -0.484 30 20 DBED C=CCCOCC(=O)NC[C@H]1C[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 1756260623 BOMRUEGTYNPAHU-SRVKXCTJSA-N 324.381 -0.729 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H](C)CN(C)C(=O)Cc1nc[nH]n1 1756498644 GBCXAWYHDLSGGH-QWRGUYRKSA-N 309.370 -0.099 30 20 DBED Cn1cnc(C(=O)N[C@H](CO)CNC(=O)C#CC(C)(C)C)n1 1756519937 QVIOPSHKDCZYKH-JTQLQIEISA-N 307.354 -0.929 30 20 DBED C=CCCC(=O)N[C@@H](C)C[C@@H](C)NC(=O)Cn1ncn(C)c1=O 1756816338 YGUBAZCJLQJPCI-NWDGAFQWSA-N 323.397 -0.053 30 20 DBED CC(C)C#CC(=O)N1C[C@@H]2CCN(C(=O)[C@H]3CNC(=O)N3)[C@@H]2C1 1756970168 CXTLIDWGKIBKOC-YNEHKIRRSA-N 318.377 -0.614 30 20 DBED C=CCCOCC(=O)N1C[C@H](O)[C@H](NC(=O)c2cn[nH]c2)C1 1757155862 JACWDPQIVSELBH-NEPJUHHUSA-N 308.338 -0.696 30 20 DBED COCC(=O)NC1CCN(Cn2cccc(C#N)c2=O)CC1 1771652473 WWPIICDBOCXJGB-UHFFFAOYSA-N 304.350 -0.096 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N(CCN(C)C)CC(=O)O 1776857425 JYLQLRUHQQDEIN-NSHDSACASA-N 320.415 -0.339 30 20 DBED COCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC#N 1795077689 UORZIGZSSIXQIF-JJLQDPRZSA-N 309.366 -0.084 30 20 DBED N#CCC(=O)N1CC2(CCCN2C(=O)[C@H]2CCC(=O)NC2)C1 1841111584 CRNDJBKYQUYOQE-NSHDSACASA-N 304.350 -0.370 30 20 DBED N#Cc1cccc(C(=O)N2CCCC23CN(C(=O)C(O)O)C3)c1 1844893529 XJIPSZRCDFARLN-UHFFFAOYSA-N 315.329 -0.314 30 20 DBED C=C1CC(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CNC(=N)N)C1 1847223127 ROUWKZAFLGMSJD-RYUDHWBXSA-N 305.382 -0.363 30 20 DBED CC(C)[C@](C)(C#N)NC(=O)COC(=O)CN1C(=O)CN(C)C1=O 7336558 UIDGQEZPWJWOMW-AWEZNQCLSA-N 324.337 -0.522 30 20 DBED C#CCN(CC(=O)O)S(=O)(=O)N1CCC(C(=O)OC)CC1 92480096 JQWLJWPDQRRTCS-UHFFFAOYSA-N 318.351 -0.864 30 20 DBED CCNS(=O)(=O)c1ccc2c(c1)N(CC(=O)NCC#N)CC2 127307967 BEOBVGBQORDHNY-UHFFFAOYSA-N 322.390 -0.013 30 20 DBED COC(=O)C[C@@H](NS(=O)(=O)c1ccccc1C#N)C(=O)O 216274141 RSKKVUPFQCAAEP-SECBINFHSA-N 312.303 -0.147 30 20 DBED N#C[C@H]1CN(C(=O)CNS(=O)(=O)c2cccs2)CCO1 264485691 MNIXZDSSRNBCMU-VIFPVBQESA-N 315.376 -0.223 30 20 DBED Cn1cc(S(=O)(=O)N2CCSC[C@H]2C#N)cc1C(N)=O 271737492 VPFWOHWJFAGBGH-MRVPVSSYSA-N 314.392 -0.246 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 278929544 SRMGQIDJUYMZPM-INIZCTEOSA-N 323.393 -0.393 30 20 DBED COC(=O)C[C@@H](NS(=O)(=O)N(C)C[C@H](C)C#N)C(=O)OC 282922221 SSKSXSZEWXQNRG-RKDXNWHRSA-N 321.355 -0.983 30 20 DBED C#CCNc1nc(N2CC[C@@H](O)C2)nc(N2CC[C@@H](O)C2)n1 287695712 DUDSJAWRZMFQRU-GHMZBOCLSA-N 304.354 -0.941 30 20 DBED C#CCO[C@H](C)C(=O)N(CCN1CCOCC1)CC(=O)OC 294512284 GCOQUEQCHXUGFF-CYBMUJFWSA-N 312.366 -0.642 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC2CCSCC2)C1=O 299641174 KFZXPGLGGGFTPD-UHFFFAOYSA-N 311.363 -0.025 30 20 DBED CO[C@H]1C[C@@H](C(=O)N2CCN(C/C(O)=N/C3CC3)CC2)N(C)C1 328951397 XFTPLUFSFWZFKD-KBPBESRZSA-N 324.425 -0.031 30 20 DBED CN1C(O)=N[C@@H]2CN(/C(O)=N/CCN3CCOCC3)CC[C@@H]21 329001893 WCZHSGXTHAKJEQ-NEPJUHHUSA-N 311.386 -0.465 30 20 DBED CCN(CCC/N=C(/O)N1CC[C@H](CO)C1)S(C)(=O)=O 330799296 BQVPCRJNKZOGEM-NSHDSACASA-N 307.416 -0.114 30 20 DBED C=CCNC(=O)CN1CCS(=O)(=O)C[C@H]1c1cnn(C)c1 331194294 RJCIVYDXVGOPOG-LBPRGKRZSA-N 312.395 -0.506 30 20 DBED COCCN(CCC#N)S(=O)(=O)NCCN(C)C1CC1 336902986 CMSNECNKBVDJEY-UHFFFAOYSA-N 304.416 -0.223 30 20 DBED C[C@@H](C#N)CN(C)CC(=O)N1CCN(CC(=O)N(C)C)CC1 338264623 VYEMDSIRJOZQED-ZDUSSCGKSA-N 309.414 -0.690 30 20 DBED N#C[C@H]1CN(S(=O)(=O)N2CCOCC(F)(F)C2)CCO1 341896890 KVAMPEARCUIECF-VIFPVBQESA-N 311.310 -0.577 30 20 DBED CN1C[C@H](NC(=O)c2ccn(-c3cccc(C#N)c3)n2)C(=O)N1 343674790 NMFLJHHJJHAGSI-ZDUSSCGKSA-N 310.317 -0.181 30 20 DBED Cc1oc(S(N)(=O)=O)cc1C(=O)N1CCN(CC#N)CC1 344823404 HECQUJOLNDVQNT-UHFFFAOYSA-N 312.351 -0.483 30 20 DBED CN(CCC#N)S(=O)(=O)N1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O 345355144 PWBHXMAIGSYUTB-AXFHLTTASA-N 300.384 -0.338 30 20 DBED CC(C)[C@@H](C#N)NC(=O)Cn1ccc2c(=O)n(C)c(=O)n(C)c21 347502780 OAUWFMKPHOMJLH-LLVKDONJSA-N 317.349 -0.297 30 20 DBED C=CCNC(=O)CNC(=O)c1cncc(N2CCOCC2)c1 347899991 KYALZZKBDZJDBO-UHFFFAOYSA-N 304.350 -0.050 30 20 DBED C=CCOC[C@H](NC(=O)[C@@H]1OC[C@H]2COCC[C@H]21)C(=O)OC 356334719 CKSSPSCFPFBOGD-FVCCEPFGSA-N 313.350 -0.102 30 20 DBED N#CCCn1ccc(=NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)[nH]1 361494974 BAOVILJKLUPJMN-JTQLQIEISA-N 313.321 -0.067 30 20 DBED CCN1CCO[C@@H](C(=O)N(CCC#N)CCN2CCOCC2)C1 369680810 YWMZTAMCKMZAQH-OAHLLOKOSA-N 324.425 -0.218 30 20 DBED N#CCNC(=O)CNC(=O)NC[C@]1(O)CCc2ccccc21 377082301 MTIXQXQFFRPRDF-OAHLLOKOSA-N 302.334 -0.241 30 20 DBED CNC(=O)Cn1cnc(NS(=O)(=O)c2ccc(C#N)cc2)n1 437309778 OFMNBHAMFXCXCO-UHFFFAOYSA-N 320.334 -0.303 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2cc(C#N)[nH]c2C)CC1 491620250 GUHYVKIFOGCSDQ-UHFFFAOYSA-N 313.361 -0.298 30 20 DBED CN(CCC#N)C[C@@H](O)CNCC1(CS(C)(=O)=O)CCC1 570082659 PIMOWVBCWGIRRY-ZDUSSCGKSA-N 317.455 -0.003 30 20 DBED COCCN(CCC#N)C(=O)C(=O)Nc1cc2n(n1)CCCC2 588631214 YFABNFSRXWXQMK-UHFFFAOYSA-N 319.365 0.547 30 20 DBED C[C@@]1(CO)CN(CC(=O)N(CCC#N)CCC#N)C[C@]1(C)CO 599624702 UYOZHEBILKQYGN-IYBDPMFKSA-N 322.409 -0.045 30 20 DBED COCCN(C)CCN1C[C@@H](Nc2cc(C#N)ncn2)CC1=O 601178445 QDWBZUQFYSRBCJ-ZDUSSCGKSA-N 318.381 -0.061 30 20 DBED CC(=O)N[C@H]1CCN(CC#CCN2CC[C@@H](NC(C)=O)C2)C1 625480316 WJHHXVPUEKGLOZ-IYBDPMFKSA-N 306.410 -0.589 30 20 DBED C=C[C@H](CO)NC(=O)NCC1(N2CCOCC2)CCOCC1 661305017 LHIFLSHKORGEBH-CYBMUJFWSA-N 313.398 -0.286 30 20 DBED C#CC[C@H](CO)NC(=O)CCNS(=O)(=O)c1cccs1 717771087 WMWKPGKNHLDKPL-SNVBAGLBSA-N 316.404 -0.083 30 20 DBED CCN(CCC#N)C(=O)COC(=O)Cn1ccc(O)nc1=O 728320052 ISPAITXJRGZLIL-UHFFFAOYSA-N 308.294 -0.746 30 20 DBED N#Cc1ccc([C@@H](C(=O)O)N2CC[C@]3(C2)NC(=O)NC3=O)cc1 739103647 CDSPHROITIEGNK-XHDPSFHLSA-N 314.301 -0.032 30 20 DBED CCOC(=O)CN(CC(N)=O)C(=O)COc1cccc(C#N)c1 749584484 HWAXQYQFNBBBAP-UHFFFAOYSA-N 319.317 -0.186 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O 755950481 MEAWJNPHSRVILX-XHDPSFHLSA-N 307.350 -0.137 30 20 DBED CN1C(=O)CN(C(=O)C#Cc2ccc3c(c2)OCO3)CC1=O 773676188 OFWZGYBLDHUSGW-UHFFFAOYSA-N 300.270 -0.406 30 20 DBED C#C[C@H](NC(=O)NCCC(=O)N1CCN(C)CC1)[C@H]1CCCO1 776115342 OZLKRGXUIQTMTJ-UONOGXRCSA-N 322.409 -0.370 30 20 DBED C[C@H](NS(C)(=O)=O)C(=O)O[C@@H](C)C(=O)NC1(C#N)CCC1 787767430 NKVGEWQUSCTODW-IUCAKERBSA-N 317.367 -0.582 30 20 DBED CC#CCS(=O)(=O)NC(=O)Cc1ccc(-n2cnnn2)cc1 810776586 ZIGWYCRDBLHHCH-UHFFFAOYSA-N 319.346 -0.326 30 20 DBED C=C[C@H](O)C(=O)OCC(=O)N[C@H](C(=O)NC)c1ccccc1 814545438 UCCKMKOUPZOPSP-AAEUAGOBSA-N 306.318 -0.320 30 20 DBED C=CCn1cc(C(=O)OCCCS(=O)(=O)N(C)C)nn1 830131660 XYZUAEMIOZWHMA-UHFFFAOYSA-N 302.356 -0.098 30 20 DBED N#C[C@@H]1CNC[C@H]1NC(=O)CCn1nnc2ccccc2c1=O 834510293 AACOHDLROSBRTE-ZWNOBZJWSA-N 312.333 -0.591 30 20 DBED C=C[C@@H](O)C(=O)NCCc1csc(NC(=O)[C@H](O)C=C)n1 834659916 ITNXLUDUDVRPFW-NXEZZACHSA-N 311.363 -0.166 30 20 DBED Cc1cc(C(=O)N[C@@H]2CNC[C@@H]2C#N)nc2nc(O)nc(O)c12 844195024 PBJXOLOYDCSOQO-IONNQARKSA-N 314.305 -0.414 30 20 DBED C#CCNC(=O)[C@@H](C)OC(=O)c1sccc1S(N)(=O)=O 857970914 UKGWOXGEHCCNNA-SSDOTTSWSA-N 316.360 -0.310 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@H](OCC)C(C)C)CC1 859179298 KMUGZYXUJNQEAA-OAHLLOKOSA-N 309.410 -0.059 30 20 DBED CON=CC(=O)N1[C@H](C)SC[C@H]1C(=O)NCCC(=O)OC 861984440 QMLMXIDBERNJRR-IUCAKERBSA-N 317.367 -0.412 30 20 DBED C#CCN(C)CCCNC(=O)N1C[C@H]2C(=O)N(C)C(=O)[C@H]2C1 868653283 RCXVJXWYOAWABH-TXEJJXNPSA-N 306.366 -0.802 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)N(CC)CC)CC1 872514864 BOSMVHOQZNKXGG-UHFFFAOYSA-N 302.400 -0.467 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N[C@H]1CCN(C(C)C)C1=O 875217709 MUKIYFSJRCJGLL-OLZOCXBDSA-N 323.393 -0.344 30 20 DBED C=C[C@](C)(O)C(=O)N1CCN(C(=O)N2CCN(C)CC2)CC1 896230954 VNAVKNXWSVBIRE-HNNXBMFYSA-N 310.398 -0.565 30 20 DBED CN(C(=O)[C@H]1COCCN1C)[C@H]1CCN(C(=O)C#CC2CC2)C1 937347557 NKAPSAIKZCKTSS-LSDHHAIUSA-N 319.405 -0.210 30 20 DBED C#Cc1cncc(C(=O)N2CC[C@H](NC(=O)c3ncn(C)n3)C2)c1 937907578 VQYKEIWSICXIFE-ZDUSSCGKSA-N 324.344 -0.164 30 20 DBED Cn1ncc(C(=O)N2CC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)n1 940098872 LIGRTRXJPBBAOI-SNVBAGLBSA-N 313.321 -0.341 30 20 DBED CO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1NC(=O)Cc1n[nH]c(C)n1 941737886 YJDWZBXAAAQLBO-JMJZKYOTSA-N 320.353 -0.843 30 20 DBED CCN(C(=O)[C@@H]1CCNC1=O)[C@@H]1CCN(C(=O)C#CC2CC2)C1 942901214 HTRQMRYDXMBQTQ-ZIAGYGMSSA-N 317.389 -0.015 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2CN(C(=O)C3CC3)CCO2)nn1 944599209 KYTASRPMYMDJGE-GFCCVEGCSA-N 319.365 -0.169 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@](C)(NC(=O)c2ccc(=O)n(C)n2)C1 957649209 XQLNGTJDJQKZAC-BMIGLBTASA-N 317.349 -0.339 30 20 DBED C#CCCN1C[C@H](O)[C@H](CNC(=O)c2cc(C(N)=O)co2)C1 958389540 IGCXQOBIOHTPBE-NEPJUHHUSA-N 305.334 -0.576 30 20 DBED CC#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cn(CCC)nn2)C1 958552211 RBGGANZEEVMMNI-GXTWGEPZSA-N 305.382 -0.266 30 20 DBED C#CCCN1C[C@@H](O)[C@H](CNC(=O)c2c[nH]c(C)cc2=O)C1 958562485 GKLNCXKDLSCVMD-IUODEOHRSA-N 303.362 -0.271 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)Cn1ccnc1 960582584 DNQNMAPZIITXOS-RWMBFGLXSA-N 317.349 -0.519 30 20 DBED C=CCn1cc(C(=O)NC2[C@@H]3CN(Cc4cnon4)C[C@@H]23)nn1 961990976 FLGPAAYJIBMXDB-GHMZBOCLSA-N 315.337 -0.293 30 20 DBED C=CCn1cc(C(=O)N[C@H]2[C@@H]3CN([C@H](CC)C(N)=O)C[C@@H]32)nn1 961996708 YQBXHCHSFFEZQA-DNIRFERGSA-N 318.381 -0.612 30 20 DBED C=CCN1C[C@@H]2C(NC(=O)C3(n4cnnn4)CCOCC3)[C@H]2C1 962015070 GAHYNQXVFMZQIV-RYUDHWBXSA-N 318.381 -0.589 30 20 DBED N#CCN1CCC[C@@H]1[C@H]1CCCN(C(=O)Cn2ncnn2)C1 963300372 BPTUKOVBGIVMOG-QWHCGFSZSA-N 303.370 -0.100 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC2(CN(C(=O)c3cnnn3C)C2)C1 965475950 ZIDCIUBZYZZQNC-JTQLQIEISA-N 318.337 -0.972 30 20 DBED CCN(C(=O)[C@H]1CN(C)CCO1)C1CN(C(=O)[C@@H](C)C#N)C1 967855411 OCBZIMJMURVBBT-WCQYABFASA-N 308.382 -0.464 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@@H](NCc3nc(O)n[nH]3)C2)[nH]1 968442233 UGWYNPOCMWWHAF-SECBINFHSA-N 301.310 -0.286 30 20 DBED NC(=O)C1(C(=O)N2[C@H]3CC[C@H]2CN(C(=O)C#CC2CC2)C3)CC1 969787374 IYGFWRRJZDILQO-STQMWFEESA-N 315.373 -0.133 30 20 DBED C#CCCN1C[C@H]2CC[C@H]1CN2C(=O)CN1CC(=O)N(C)C1=O 972010874 VXLYJYOLIOEHGL-QWHCGFSZSA-N 318.377 -0.421 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]2CCN(C(=O)Cc3nc[nH]n3)C[C@@H]21 976052988 XMGZDPFFLUFROW-WOPDTQHZSA-N 316.365 -0.044 30 20 DBED Cn1nnnc1CNC[C@H]1C[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 983496288 UFXDFMXFTDOEPW-HOMQSWHASA-N 314.353 -0.292 30 20 DBED N#Cc1cc(C(=O)N[C@H]2CCC[C@@H](NC(=O)C(N)=O)C2)c[nH]1 983566837 BKVKKDQNQCTQGA-VHSXEESVSA-N 303.322 -0.471 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2CCCOC2)C1 990465450 XAXQVCFYEQGJJE-ZFWWWQNUSA-N 319.405 -0.162 30 20 DBED C[C@@H](C(=O)N1CC(NC(=O)c2c[nH]c(C#N)c2)C1)n1cncn1 990928870 KVHQVGWMZIIFPO-VIFPVBQESA-N 313.321 -0.320 30 20 DBED N#CCN[C@@H]1CCC[C@@H]2CN(C(=O)CN3CC(=O)NC3=O)C[C@@H]21 992865810 ZRAJIEWYIITHJI-GRYCIOLGSA-N 319.365 -0.722 30 20 DBED C=CCN1CCC[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)[C@H]1C 993921267 WGMHKYYTBDZOCJ-YPMHNXCESA-N 320.393 -0.147 30 20 DBED C#CCN1CCC[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)[C@H]1C 994361288 GRSSMSMWVBPBMM-VXGBXAGGSA-N 306.366 -0.517 30 20 DBED C[C@H](C#N)C(=O)N1CC(NC(=O)[C@H]2CCn3cncc3C2)C1 994549174 NJNNZSOTXMZDFS-MNOVXSKESA-N 301.350 -0.068 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](NCCN2CCNC2=O)C(C)(C)C1 995546576 DZVOIIDZBDXYLD-RYUDHWBXSA-N 307.398 -0.002 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)C[C@@H]2COC(=O)C2)C1 1000005489 NYLUIWFOKASVSW-UHTWSYAYSA-N 322.361 -0.142 30 20 DBED Cn1cnc(C(=O)N2CCN(C(=O)C#CC3CC3)CC2)cc1=O 1011107877 UXVOTKQVJDFKQE-UHFFFAOYSA-N 314.345 -0.522 30 20 DBED C#Cc1ccc(C(=O)N2CCN(C(=O)c3cnn[nH]3)CC2)cn1 1011443476 LCMYJPMHWHFTBW-UHFFFAOYSA-N 310.317 -0.221 30 20 DBED CC(=O)N1CC(C(=O)N[C@@H]2C[C@H](C)N(C(=O)C#CC3CC3)C2)C1 1012582528 ROCSPBLSYNWAMJ-XHDPSFHLSA-N 317.389 -0.016 30 20 DBED N#Cc1ccc(C(=O)NC2[C@@H]3CN(C(=O)c4cnn[nH]4)C[C@@H]23)[nH]1 1012965643 GDYLQJRHJHWRPU-RKDXNWHRSA-N 311.305 -0.495 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2C(NC(=O)c3cn(C)c(O)n3)[C@H]2C1 1013723424 STIXBFLERACOCJ-VGMNWLOBSA-N 303.322 -0.528 30 20 DBED O=C(C#CC1CC1)N1CCC2(C1)CN(C(=O)[C@@H]1COCCO1)C2 1018812875 KXOCLKSOIPRNAY-AWEZNQCLSA-N 318.373 -0.124 30 20 DBED O=C1N[C@@H](C(=O)N2CC3(CCN(C(=O)C#CC4CC4)C3)C2)CO1 1018986029 BFQABBAUZUCGOK-GFCCVEGCSA-N 317.345 -0.431 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(F)nc2)C1 1023214756 MOPVXLQPEQHYQS-JMJZKYOTSA-N 306.297 -0.318 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2CCN([C@H](C)C(N)=O)C2)nn1 1028850899 ANWCWMBUZSIODQ-GHMZBOCLSA-N 306.370 -0.610 30 20 DBED C=CCCn1cc(C(=O)N(C)[C@@H]2CCN(CC(N)=O)C2)nn1 1033483754 LGYWVSPHCCEGCV-LLVKDONJSA-N 306.370 -0.514 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)[C@H]2CCc3nnn(C)c3C2)C1 1035492622 ZAYSCEAATNZQQP-STQMWFEESA-N 317.393 -0.630 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)[C@H]2CCCCN2C(N)=O)C1 1035571945 MMHOZNNAWMKDJR-QWHCGFSZSA-N 308.382 -0.630 30 20 DBED CC(=O)N1CCO[C@@H](C(=O)N2[C@H]3CC[C@H]2CN(CC#N)CC3)C1 1039464970 HBSXVYCUEKGOBQ-SOUVJXGZSA-N 320.393 -0.177 30 20 DBED C#CCOCCC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H](C)OC)C1 1039719576 XELZZBGBQVALAC-DOMZBBRYSA-N 312.366 -0.859 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)c2ccnnc2)C1 1040766730 SEBZPAJJFJAUQG-HZMBPMFUSA-N 303.322 -0.671 30 20 DBED C[C@]1(C(=O)N[C@@H]2CN(c3nccnc3C#N)C[C@H]2O)CCOC1 1041147036 GLFDZMFEORIHEJ-JMSVASOKSA-N 317.349 -0.559 30 20 DBED C=CCCOCC(=O)N1CC(O)(CNC(=O)C(C)(F)F)C1 1041154941 UMJQGCNVQRDHRV-UHFFFAOYSA-N 306.309 -0.076 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)[C@H]2C[C@@H]2C(=O)OC)C1 1041981238 WVCJJUGBPUJOOH-QWRGUYRKSA-N 324.377 -0.303 30 20 DBED C=CCCOCC(=O)N1CC(O)(CNC(=O)c2cocn2)C1 1042063569 ABBYHSQJEMXNOM-UHFFFAOYSA-N 309.322 -0.430 30 20 DBED C[C@H]1C[C@@H]1C(=O)N1CC(O)(CNC(=O)c2cc(C#N)c[nH]2)C1 1042400945 IFHQJUOSWSEBDT-ONGXEEELSA-N 302.334 -0.155 30 20 DBED N#Cc1cc(C(=O)NCC2(O)CN(C(=O)C3(CF)CC3)C2)c[nH]1 1042669410 MBMBQQXNUDUEEM-UHFFFAOYSA-N 320.324 -0.061 30 20 DBED CC(C)(C)C#CC(=O)N1CC(O)(CNC(=O)CC(C)(C)O)C1 1042826653 AZZUFBUJNAXPJC-UHFFFAOYSA-N 310.394 -0.114 30 20 DBED C[C@@H]1CN(C(=O)Cn2cccn2)C[C@H]1N=c1cc[nH]c(C#N)n1 1043071850 ZJHNBOFRJBWMNR-VXGBXAGGSA-N 311.349 -0.074 30 20 DBED C=CCCOCC(=O)N1CC(O)(CNC(=O)Cc2cnoc2)C1 1045113431 ADFKMXMMLZCAQK-UHFFFAOYSA-N 323.349 -0.501 30 20 DBED C#Cc1cncc(C(=O)N2CC(O)(CNC(=O)[C@H](C)C#N)C2)c1 1045551686 KVNFFYXZJMSSHP-LLVKDONJSA-N 312.329 -0.474 30 20 DBED C=CCN1CC[C@H](N2CCN(C(=O)[C@@H]3CN(C)C(=O)N3)CC2)C1 1046052162 UFTWBPWDUXCFIM-KBPBESRZSA-N 321.425 -0.586 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCn3ccnc3C2)C1 1047435282 HEZSOSLLQLAYNC-KKUMJFAQSA-N 316.405 -0.028 30 20 DBED C#CCO[C@H](C)C(=O)N(C)[C@H]1CN(C(=O)c2cn[nH]c2)C[C@@H]1O 1048844680 PURHJGICWBGXSZ-WXHSDQCUSA-N 320.349 -0.908 30 20 DBED C#CCO[C@H](C)C(=O)N(C)[C@H]1CN(C(=O)c2ccon2)C[C@@H]1O 1048852815 SICMJBCHFFMWCX-WXHSDQCUSA-N 321.333 -0.643 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)CN1C(=O)CCC1=O)C2 1050749420 LRDUIHPWAWZUET-UHFFFAOYSA-N 303.362 -0.307 30 20 DBED C#CCCN1CCOC[C@@H]1CNC(=O)[C@@H]1CCN(C)C(=O)C1 1050989867 XRMZQDUYMATBIB-KGLIPLIRSA-N 307.394 -0.305 30 20 DBED N#CCN1CCOC[C@H]1CNC(=O)C1CCC(C(N)=O)CC1 1050992003 CQXINTDRARZPSS-WXRRBKDZSA-N 308.382 -0.381 30 20 DBED COc1coc(C(=O)NC[C@@H]2COCCN2CC#N)cc1=O 1051024634 DGUOHADDHCAHHE-SNVBAGLBSA-N 307.306 -0.397 30 20 DBED CC#CCN1CCN([C@H]2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)CC1 1052086222 POVRRLVDTRTPLX-ZNMIVQPWSA-N 318.421 -0.650 30 20 DBED C[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1CNC(=O)CNC(N)=O 1052548209 MHCXDPXDUZUMSB-JQWIXIFHSA-N 306.366 -0.721 30 20 DBED CCn1cc(CN2CC3(C2)CN(C(=O)[C@H](C)C#N)CCO3)nn1 1053191171 NUHKLRRZDJABDM-GFCCVEGCSA-N 318.381 -0.129 30 20 DBED C#CCN1CC2(C1)CN(C(=O)[C@H]1CCc3nncn3C1)CCO2 1053540794 HFGGKJJGBZXXTN-ZDUSSCGKSA-N 315.377 -0.613 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)C[C@@H]3CCC(=O)NC3)CO2)C1 1053827537 BXKURPHDGWOCFO-NWDGAFQWSA-N 306.366 -0.614 30 20 DBED CC(=O)N1CCN(c2cnc(C#N)cn2)[C@H]2CS(=O)(=O)C[C@H]21 1054767398 JBDWIYXVESLFBX-NEPJUHHUSA-N 321.362 -0.818 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H]1CC[C@H](CNC(=O)C(N)=O)CC1 1054899334 IZQUTCRGPFKJTQ-AVGNSLFASA-N 323.393 -0.451 30 20 DBED C#CCOCCC(=O)N[C@]1(CO)CCCN(C(=O)[C@@H](C)C#N)C1 1055944632 AOLLDPSMKYEQJX-XJKSGUPXSA-N 321.377 -0.344 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@](CO)(NC(=O)Cc2ncc[nH]2)C1 1056080229 PDTQCJSXVSAKFP-IAQYHMDHSA-N 319.365 -0.418 30 20 DBED Cc1c[nH]nc1C(=O)N1CCC[C@@](CO)(NC(=O)[C@H](C)C#N)C1 1056094121 QHSAWQQLFYQSIL-MEBBXXQBSA-N 319.365 -0.039 30 20 DBED N#Cc1nccnc1N[C@@H]1CCN(C(=O)[C@H]2CCCNC2=O)C1 1056721142 ADPJCHUMTVQIDI-MNOVXSKESA-N 314.349 -0.113 30 20 DBED CO[C@@H](C)CC(=O)NCCN(CCO)C(=O)CSCC#N 1057026809 MMYMNNXAJYGVCI-NSHDSACASA-N 317.411 -0.395 30 20 DBED C=CCCO[C@H](C)C(=O)N(CCO)CCNC(=O)[C@@H](C)OC 1057143859 DIYXHNIVXNIQGN-CHWSQXEVSA-N 316.398 -0.060 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)Cc1cn(CC)nn1 1057167598 UORRQTAUHDHLAU-UHFFFAOYSA-N 323.397 -0.256 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)[C@@H](C)S(C)(=O)=O 1058042991 UDJPYSJDGHWMDC-LLVKDONJSA-N 320.411 -0.677 30 20 DBED N#Cc1cnccc1N1CCC[C@@H](NC(=O)Cn2cnnn2)C1 1058118914 TURSMKBBEMOMNE-GFCCVEGCSA-N 312.337 -0.275 30 20 DBED CN1CC[C@@H](C(=O)N2CC[C@H](N=c3cc[nH]c(C#N)n3)C2)C1 1058904752 IBYQZKSKJRRABO-NEPJUHHUSA-N 300.366 -0.265 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CC[C@H](CNC(=O)CCNC(N)=O)CC1 1060811623 BNWZRGPJAUXDRC-IJLUTSLNSA-N 323.397 -0.004 30 20 DBED CC(C)C#CC(=O)N1CCOC[C@@H]1CNC(=O)[C@H]1COCCO1 1061322500 DXQPDQLQAGAXAV-UONOGXRCSA-N 324.377 -0.595 30 20 DBED CO[C@@H](C)C(=O)NC[C@H]1COCCN1C(=O)c1ccc(C#N)[nH]1 1061367993 VRZOYNCTHDIYRA-JQWIXIFHSA-N 320.349 -0.122 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)c1cn(C)cn1 1061848925 WUAQHSTUVSHGLV-QWRGUYRKSA-N 305.338 -0.463 30 20 DBED C#CCCCC(=O)N1CCOC[C@@H]1CNC(=O)Cc1nc[nH]n1 1061920013 URMVLKHFQDVHCG-LBPRGKRZSA-N 319.365 -0.506 30 20 DBED C#CCOCCC(=O)NCC1(NC(=O)[C@H](C)CC(N)=O)CCC1 1063042018 KXSSPLBTHAPUCX-GFCCVEGCSA-N 323.393 -0.307 30 20 DBED C=CCOCC(=O)NC1(CNC(=O)[C@@H]2CCN(C)C2=O)CCC1 1064085890 ASGZJJFATDGSDP-LBPRGKRZSA-N 323.393 -0.178 30 20 DBED C=CCCC(=O)N1CCO[C@@H](CNC(=O)[C@H](C)NC(C)=O)C1 1064953662 KSOFXASFMXJXNO-AAEUAGOBSA-N 311.382 -0.179 30 20 DBED C#CCOCCC(=O)N1CCO[C@H](CNC(=O)COCC=C)C1 1065150210 NPLYGXITHJKWAY-CQSZACIVSA-N 324.377 -0.428 30 20 DBED Cn1nnc(C(=O)N[C@]2(C)CCN(c3ccnc(C#N)n3)C2)n1 1065317651 YZRHXIIJJDAUFP-CYBMUJFWSA-N 313.325 -0.729 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(C(=O)c2ccncn2)CCO1 1065505313 OCWMXAJYWQNPGO-CYBMUJFWSA-N 314.345 -0.153 30 20 DBED COCCC(=O)N1CC[C@@H](N2CCN(C(=O)[C@H](C)C#N)CC2)C1 1065676716 KORVSMCYFSGSHK-ZIAGYGMSSA-N 322.409 -0.072 30 20 DBED C#CCCCC(=O)N[C@@H]1CCCN(C(=O)[C@H]2CNC(=O)N2)CC1 1066100000 AHGGISQQVPHWNE-CHWSQXEVSA-N 320.393 -0.031 30 20 DBED C#CCNC(=O)CC(=O)N(C)CCCN(C)C(=O)COCC=C 1066999139 PGUDYKIFVVPVCN-UHFFFAOYSA-N 323.393 -0.365 30 20 DBED N#Cc1c[nH]ccc1=NCC1CC(NC(=O)[C@H]2COC(=O)N2)C1 1067845697 DFJRVORKSAZCAF-QEIKUCIBSA-N 315.333 -0.210 30 20 DBED CC(C)C#CC(=O)N1CCOC2(C1)CN(C(=O)c1cnon1)C2 1068394747 DRPJVOMIXVKDGH-UHFFFAOYSA-N 318.333 -0.218 30 20 DBED CC(C)(C)C#CC(=O)N1CC2(C[C@H](NC(=O)CC(N)=O)CO2)C1 1068779263 MRGNASCEWFRZEP-NSHDSACASA-N 321.377 -0.603 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H]2CCCN2C)C1 1069902097 HGMHBULBQAAFCY-RDBSUJKOSA-N 302.382 -0.653 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1c1cncn1C 1070645423 VJXBJSXNFTZJBB-VXGBXAGGSA-N 313.365 -0.620 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC[C@@H](NC(=O)c2cn(C)nn2)C1 1070726466 AJQVCQHCGVOVMF-VXGBXAGGSA-N 319.365 -0.426 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)C[C@H]2CCCO2)CC1 1070942275 XFUIPMNRZAVPEB-CQSZACIVSA-N 307.394 -0.161 30 20 DBED N#CCSCC(=O)N[C@@H]1CCCN(C(=O)C2(C(N)=O)CC2)C1 1071214792 CHYQHIYEDGEFEI-SNVBAGLBSA-N 324.406 -0.384 30 20 DBED C#CCCN1C[C@H](NC(=O)CN2CCNC(=O)C2)CC[C@H]1C 1071739358 RKGWWPJWDBJGGQ-ZIAGYGMSSA-N 306.410 -0.589 30 20 DBED C=CCN1C[C@@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)CC[C@H]1C 1071865448 JVSXNZWULGONFH-MNOVXSKESA-N 322.365 -0.438 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC3(CCN([C@H]4CCNC4=O)C3)C2)c1 1072592719 NMLBSTRXHQAYEZ-ZDUSSCGKSA-N 313.361 -0.077 30 20 DBED CNC(=O)NCC(=O)N[C@H]1CCN(C(=O)[C@H](C)C#N)CC1(C)C 1073411032 BDPPBBMDAXZFDI-MNOVXSKESA-N 323.397 -0.182 30 20 DBED C=CCCCC(=O)N1CC(N2CCN(C(=O)CC(N)=O)CC2)C1 1073555840 OVFLTWRGXOUSKJ-UHFFFAOYSA-N 322.409 -0.427 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)c3cnnn3CC)C[C@H]21 1074236882 RTZAZHORDMNTHV-ZIAGYGMSSA-N 303.366 -0.154 30 20 DBED C[C@H](C#N)C(=O)N1CCC(O)(CNC(=O)Cn2cccn2)CC1 1074703361 CCIZMAZMONVLOM-GFCCVEGCSA-N 319.365 -0.488 30 20 DBED C#CCOCCC(=O)N[C@H]1CCN(C(=O)c2nc[nH]n2)[C@H](C)C1 1074990273 DBSHCWMGEXEBAU-NEPJUHHUSA-N 319.365 -0.046 30 20 DBED C=CCOCC(=O)NCC[C@H](C)NC(=O)CCc1cnn(C)n1 1075919841 DONMRUBZTVYZNQ-LBPRGKRZSA-N 323.397 -0.039 30 20 DBED N#CCN1C[C@@H]2CCN(C(=O)[C@@H]3CCCN(C(N)=O)C3)[C@@H]2C1 1076009116 WQHAAFRKPQEJHD-YNEHKIRRSA-N 305.382 -0.167 30 20 DBED C=C(C)CCC(=O)N[C@@H](C)CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 1076541289 VNERVKPGMIYDLP-QWRGUYRKSA-N 324.381 -0.048 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2cn([C@@H]3CCOC3)nc2C)C1 1076997009 ZDTRFOQJVBYJDB-BPLDGKMQSA-N 318.377 -0.439 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCN(C(=O)CC)C2)C1 1077960002 CBBFBPZPLBCODY-BFHYXJOUSA-N 307.394 -0.571 30 20 DBED C=CCN1C[C@@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)[C@H](C)C1 1080551478 WRCLCDKMDRQADK-NXEZZACHSA-N 308.338 -0.971 30 20 DBED N#CCSCC(=O)NC[C@@H]1CN(C(=O)c2ncc[nH]2)C[C@H]1O 1081285717 BTFYNMQKJFIYJC-NXEZZACHSA-N 323.378 -0.784 30 20 DBED Cc1ncc(C(=O)NC[C@H]2CN(C(=O)C#CC(C)C)C[C@@H]2O)[nH]1 1081346243 FZYULJUSSWAUNP-JSGCOSHPSA-N 318.377 -0.073 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2coc(C)n2)C[C@@H]1O 1081346349 HFSNYQUIUDGZFK-YPMHNXCESA-N 323.349 -0.265 30 20 DBED C#CCCCC(=O)N1C[C@H](CNC(=O)CNC(=O)CC)[C@@H](O)C1 1081349796 UEXGJVVLZXDXMA-STQMWFEESA-N 323.393 -0.748 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)Cc2cnoc2)C[C@H]1O 1081438695 FZBWCVJTJXLFMM-ZIAGYGMSSA-N 319.361 -0.044 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(C(=O)/C(C)=C/C)C[C@H]1O 1081488436 IFSFRRJCQMTTNM-KDHQJITESA-N 308.378 -0.072 30 20 DBED CNC(=O)CN1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@H](OC)C1 1081552484 MRHGTQOUVCBDJO-VXGBXAGGSA-N 305.338 -0.939 30 20 DBED CC#CCN1C[C@@H](NC(=O)c2cnc(N(C)C)cn2)[C@H](OC)C1 1081664675 MPFURBHLHVWMTQ-ZIAGYGMSSA-N 317.393 -0.005 30 20 DBED C=C(C)CCN1C[C@@H](NC(=O)CN2C(=O)CNC2=O)[C@H](OC)C1 1082361124 LMQRSZFAOLEJQN-VXGBXAGGSA-N 324.381 -0.680 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1ccc(C(N)=O)s1 1083222774 KYIAVEVVFMSSQP-VHSXEESVSA-N 320.374 -0.104 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)Cc2c(C)nc(O)nc2O)C1 1083885577 RNYUYBCHZPISII-NEPJUHHUSA-N 322.365 -0.524 30 20 DBED C#CCN1CC[C@@H]1CN(C)C(=O)c1cc(=O)n2[nH]cnc2n1 1085923944 KPXFZGDRJNNIEA-SNVBAGLBSA-N 300.322 -0.803 30 20 DBED C#CCN1CC[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)CC(C)(C)C1 1089408774 LFTDVMIKJKQWGA-NEPJUHHUSA-N 320.393 -0.176 30 20 DBED COC[C@@H](OC)C(=O)N1CC[C@H](N=c2cc[nH]c(C#N)n2)[C@@H]1C 1090240902 DKMJYVFZFXQFQB-SDDRHHMPSA-N 319.365 -0.167 30 20 DBED CC(=O)NCC(=O)N1C[C@@H](Nc2cnc(C#N)cn2)[C@H](C)C1 1090951395 HKTQPASPGXFALI-BXKDBHETSA-N 302.338 -0.257 30 20 DBED COC[C@H](OC)C(=O)NC[C@H]1C[C@@H](N=c2cc[nH]c(C#N)n2)C1 1091403257 AKIMGDPJYLNSEE-TUAOUCFPSA-N 319.365 -0.262 30 20 DBED CC(C)[C@@H](O)C(=O)NC1[C@H]2CN(c3cncc(C#N)n3)C[C@H]12 1093261410 VHZOAHXHTHOIQT-COPLHBTASA-N 301.350 -0.084 30 20 DBED CNC(=O)NCC(=O)NC1[C@H]2CN(c3ccc(C#N)cn3)C[C@H]12 1093360952 KOTBWRXFPXLSPM-QWRGUYRKSA-N 314.349 -0.567 30 20 DBED N#Cc1cnc(NCCNC(=O)[C@H]2CCS(=O)(=O)C2)cn1 1093978815 RMYZTCCKOMKMMH-VIFPVBQESA-N 309.351 -0.689 30 20 DBED C=CCCN1CCN(C(=O)[C@H](C)OC)[C@@H]2CS(=O)(=O)C[C@@H]21 1094609609 BTESNKUQODHKKQ-RWMBFGLXSA-N 316.423 -0.093 30 20 DBED N#Cc1cccnc1NCCCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 1094780982 MJOIXKZBAJFLQV-NWDGAFQWSA-N 317.349 -0.096 30 20 DBED CC(=O)N[C@H](C)C(=O)N1CCCN(c2ccnc(C#N)n2)CC1 1095161498 UGYQBGKKHDFYGJ-LLVKDONJSA-N 316.365 -0.088 30 20 DBED CC(=O)NCC(=O)N1CCCN(c2ccnc(C#N)n2)CC1 1095161785 QMKNGNNJWPJKAT-UHFFFAOYSA-N 302.338 -0.477 30 20 DBED CCC(=O)NCC(=O)N1CCCN(c2ccnc(C#N)n2)CC1 1095175759 KZCIFCZMHDRWFP-UHFFFAOYSA-N 316.365 -0.087 30 20 DBED CCNC(=O)CC(=O)NCCCN(C)c1ccc(C#N)nn1 1095541237 MROKLSOJXLNGAI-UHFFFAOYSA-N 304.354 -0.183 30 20 DBED CN1C[C@H](C(=O)NCCCN(C)c2ccc(C#N)cn2)NC1=O 1095703597 TXXBREYMTPQADH-GFCCVEGCSA-N 316.365 -0.081 30 20 DBED N#Cc1ccc(N2CCN(CCNC(=O)CC(N)=O)CC2)nc1 1096274907 MHBSUKLAGUYWTQ-UHFFFAOYSA-N 316.365 -0.933 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN1C(=O)CN(C)C1=O 1096501799 KAQROGVLHAPJKO-WOPDTQHZSA-N 304.350 -0.765 30 20 DBED N#Cc1ccc(N[C@H]2C[C@H](NC(=O)CNC(=O)C3CC3)C2)nn1 1096989426 BDTJCDLOCPMPGB-HAQNSBGRSA-N 314.349 -0.066 30 20 DBED CNC(=O)NCC(=O)N[C@H]1C[C@@H](N=c2cc(C)[nH]cc2C#N)C1 1097258431 LPDCXNDRPOHNMS-TXEJJXNPSA-N 316.365 -0.328 30 20 DBED C=CCOCC(=O)N1CC[C@@H](n2cc(CNCCO)nn2)C1 1098638262 WJNJWJYPBQIPIO-CYBMUJFWSA-N 309.370 -0.664 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)c2cccnc2)[C@H](O)C1 1099636090 KFELWYSNSMFMKF-UONOGXRCSA-N 318.377 -0.451 30 20 DBED Cc1c(CCC(=O)N[C@@H]2CCN(CC#N)C[C@H]2O)cnn1C 1099853745 VIDREMWSMIWLMF-ZIAGYGMSSA-N 305.382 -0.264 30 20 DBED C#CCC1(C(=O)N[C@@H]2CCN(CC(=O)N(C)C)C[C@@H]2O)CCC1 1099873941 CLXZORMBJAOBBQ-KGLIPLIRSA-N 321.421 -0.180 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1CC(NCc2nc(O)n[nH]2)C1 1100322475 JYAZTQCZSKFDTE-WHXUTIOJSA-N 307.354 -0.467 30 20 DBED CCN1C[C@H](C(=O)NCCN(C)c2ccnc(C#N)n2)CC1=O 1100384093 YRPUYOFXFJJNRC-LLVKDONJSA-N 316.365 -0.231 30 20 DBED CCN(CCNC(=O)[C@@H]1CNC(=O)N1)c1ncc(C#N)cc1F 1100698802 MHNQIMPJNCONIL-NSHDSACASA-N 320.328 -0.284 30 20 DBED N#Cc1ccc(N2CCC[C@@H]2CNC(=O)Cn2ncnn2)nn1 1100867926 JDAKKLKHZBTNPM-LLVKDONJSA-N 313.325 -0.880 30 20 DBED C[C@H](CC(N)=O)C(=O)NC[C@@H]1CCCN1c1nccnc1C#N 1100887064 SVSUUUIMKWCJCL-MNOVXSKESA-N 316.365 -0.055 30 20 DBED CN(CCN=c1cc[nH]cc1C#N)C(=O)C[C@H]1CCC(=O)N1 1101677989 AAVCFISJTKWGOM-GFCCVEGCSA-N 301.350 -0.086 30 20 DBED CNS(=O)(=O)CCC(=O)NC[C@@H]1CN(CC#N)C[C@H]1C 1101969534 ZUKIWSOCJQQFBZ-GHMZBOCLSA-N 302.400 -0.867 30 20 DBED Cn1nccc1C(=O)NC[C@@H](O)CNc1cnc(C#N)cn1 1105739784 OWOWQHCPKHROKS-JTQLQIEISA-N 301.310 -0.715 30 20 DBED N#Cc1c(Cl)nsc1NC[C@H](O)CNC(=O)CC(N)=O 1105763945 SSHLRAKSPMHLDK-RXMQYKEDSA-N 317.758 -0.567 30 20 DBED Cc1cc(C#N)nc(NC[C@H](O)CNC(=O)CC(C)(C)O)n1 1105804692 YASPTBTVKYYEJO-LLVKDONJSA-N 307.354 -0.293 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@H](O)CNc1cc(C)nc(CO)n1 1105805936 MPAAKCCDYZTKRG-ABAIWWIYSA-N 324.381 -0.507 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H](O)CNc1cc(OCC)ncn1 1105970999 QTERIZKZVRBMOE-VXGBXAGGSA-N 322.365 -0.197 30 20 DBED CC(=O)NCC(=O)NC/C=C/CN=c1cc(C)[nH]cc1C#N 1107049455 QNNXOTWJHOSWDH-ONEGZZNKSA-N 301.350 -0.096 30 20 DBED C#CCN1CC(n2cc(CNC(=O)C[C@@H]3CCOC3)nn2)C1 1107150511 PAFSPAXDYRWKBE-LBPRGKRZSA-N 303.366 -0.189 30 20 DBED N#Cc1nccnc1NC/C=C/CNC(=O)[C@@H]1CC[C@H]1C(N)=O 1107451913 NQBGMNDOPMQQMH-COUIAZAYSA-N 314.349 -0.056 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)CC(F)(F)F)CC2=O)C1 1108517145 CYLVJTJOARRICY-VIFPVBQESA-N 303.284 -0.027 30 20 DBED N#Cc1cnc(NC2(CNC(=O)[C@@H]3CCC(=O)NC3)CC2)cn1 1110402440 LWHRUEYYEGEZSF-SNVBAGLBSA-N 314.349 -0.065 30 20 DBED C=CCOCC(=O)N(C)[C@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1111175868 YOCPPPNRCIPADF-STQMWFEESA-N 317.349 -0.441 30 20 DBED CC(=O)NCC(=O)N1C[C@@H](C)[C@@H](CN=c2cc[nH]c(C#N)n2)C1 1111233225 PTTPQPROSXIAMK-PWSUYJOCSA-N 316.365 -0.587 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1COCCN1c1nccn2nnnc12 1111663314 SZMSLNROURAMEI-VHSXEESVSA-N 316.325 -1.000 30 20 DBED CN(C)CCC(=O)NC[C@H]1CN(c2cncc(C#N)n2)C[C@H]1O 1112754739 GEFTWHBSNGAAJJ-WCQYABFASA-N 318.381 -0.787 30 20 DBED CC(=O)N1CC(C(=O)N[C@H](C)[C@@H](C)N=c2cc[nH]c(C#N)n2)C1 1113018176 DEKWUAUSGFKWCA-NXEZZACHSA-N 316.365 -0.446 30 20 DBED C[C@H](Nc1ccc(C#N)nn1)[C@@H](C)NC(=O)C1CS(=O)(=O)C1 1113184235 YLCHINZHBQTJMR-DTWKUNHWSA-N 323.378 -0.302 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@@H](C)OCCOC)CC1 1113396045 AJFMBVAKPGXLAC-CYBMUJFWSA-N 313.398 -0.516 30 20 DBED CC(C)n1cc(C(=O)N2CCN(CC(=O)NCC#N)CC2)nn1 1113471775 NBOSPMJMVVHPRE-UHFFFAOYSA-N 319.369 -0.743 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)[C@H]2CCN(C)C2)CC1 1113631944 QFIVCKQWTUPEIL-KBPBESRZSA-N 306.410 -0.780 30 20 DBED C[C@@H](CNC(=O)[C@]1(C)CNC(=O)C1)N(C)c1cnc(C#N)cn1 1113783263 DESMMYIQFGPVIJ-BONVTDFDSA-N 316.365 -0.185 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)c3ccn(C)c3)[C@H]2C1 1114136662 LMTYGWLWSMRREP-STQMWFEESA-N 302.378 -0.013 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3ccncc3C)[C@H]2C1 1114226496 NOVPXCASYGOXRN-FOLVSLTJSA-N 312.373 -0.201 30 20 DBED CC(C)C#CC(=O)NC1[C@H]2CN(CCN3C(=O)CCC3=O)C[C@H]12 1114234523 MJBNZLCRMBHDDM-STQMWFEESA-N 317.389 -0.159 30 20 DBED C=CCOCCN1C[C@H]2[C@H](NC(=O)CN3C(=O)CCC3=O)[C@H]2C1 1115216324 GRRATVJQJAUJRG-ATCWAGBWSA-N 321.377 -0.616 30 20 DBED Cc1cc(=NCCCOCCNC(=O)CC(N)=O)c(C#N)c[nH]1 1115395986 XDZHOOASJUULNU-UHFFFAOYSA-N 319.365 -0.506 30 20 DBED CN(C)CCC(=O)NCCOCCCN=c1cc[nH]c(C#N)n1 1115443077 FIGYMKUSPSWJFF-UHFFFAOYSA-N 320.397 -0.343 30 20 DBED C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)NC[C@@H](O)CO 1116721745 QAAVDQONISDGIT-NXEZZACHSA-N 307.306 -0.615 30 20 DBED C=CCSCCNC(=O)C(=O)NC[C@]1(OC)CCOC1 1117147853 XYCJWEZBLHWBEZ-CYBMUJFWSA-N 302.396 -0.057 30 20 DBED C#CCN(CC)c1nnnn1CC(C)(C)NS(C)(=O)=O 1120141210 QQTUPQWWEKIEQM-UHFFFAOYSA-N 300.388 -0.540 30 20 DBED C[C@@](O)(CC(=O)NC[C@@H](CO)Nc1nccnc1C#N)C1CC1 1121340503 YGLYIEQNFPXJBW-XHDPSFHLSA-N 319.365 -0.212 30 20 DBED C[C@@H]1[C@H](N=c2cc[nH]c(C#N)n2)CCN1C(=O)CC(=O)N(C)C 1123107304 AQPPNNCNXDZOQV-GHMZBOCLSA-N 316.365 -0.350 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)[C@H]1CC12CC2 1124793357 SJBOBMGFYSFOCA-WDEREUQCSA-N 301.350 -0.199 30 20 DBED CN(C)C(=O)CC(=O)N(C)C[C@@H](O)CNc1ccc(C#N)nn1 1124797865 LPDZSXQNWVYAAQ-NSHDSACASA-N 320.353 -0.942 30 20 DBED CN(C[C@@H](O)CNc1ccc(C#N)nn1)C(=O)c1cnn[nH]1 1124894876 DTYBFNJIXFCGEX-VIFPVBQESA-N 302.298 -0.989 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1ccnn1C1CCC1 1127534603 LBUZPJWOULEISC-UHFFFAOYSA-N 303.366 -0.323 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCNCCCS(C)(=O)=O 1129770526 HEXAFJOMGDSTMI-ZDUSSCGKSA-N 315.439 -0.776 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1c(C)cc(=O)oc1C 1131080389 WFSYWMHIXTUTPA-UHFFFAOYSA-N 305.334 -0.675 30 20 DBED C#CCN1C[C@@H]2OC(=O)N([C@H]3CCN(C(=O)COCC)C3)[C@@H]2C1 1131297574 GBVYZPUVTFPOQV-MJBXVCDLSA-N 321.377 -0.238 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)c2coc(C(N)=O)c2)C1=O 1131783064 SHIUYQJKRWCLRK-LLVKDONJSA-N 320.349 -0.515 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2cncnc2)CC[C@@H]1C 1131972711 USMVNKDTIHELCB-JSGCOSHPSA-N 315.377 -0.191 30 20 DBED C#CCCN1C[C@H](NC(=O)CCNS(C)(=O)=O)CC[C@H]1C 1132078612 NGTLTZOMXJALGK-CHWSQXEVSA-N 315.439 -0.082 30 20 DBED C=CCNC[C@@H]1CN(C(=O)CNC(=O)CNC(C)=O)CC[C@@H]1C 1132928883 VLQZRCZCEGVNPS-GXTWGEPZSA-N 324.425 -0.501 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)Cn2c(O)nnc2O)CC[C@@H]1C 1133271914 VLHSPGNPDHWRCU-NWDGAFQWSA-N 321.381 -0.213 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NCCN[C@@H](C)C(=O)NC1CC1 1134821133 LDQVYLJGZOHYEB-FZMZJTMJSA-N 324.425 -0.170 30 20 DBED CC#CCN[C@@H](C)C[C@H](C)NC(=O)CCCS(N)(=O)=O 1135326649 YXHQVDJTHODDKA-RYUDHWBXSA-N 303.428 -0.049 30 20 DBED C=CCC[C@@H](C)NCCNC(=O)[C@@H](CCC(N)=O)NC(C)=O 1135384592 ICNUSOWNTHGGLZ-DGCLKSJQSA-N 312.414 -0.183 30 20 DBED C#CCN[C@H](C)C[C@H](C)NC(=O)c1cn(C)c(=O)n(C)c1=O 1135614338 RAOFIKGCKARMFW-MNOVXSKESA-N 306.366 -0.796 30 20 DBED N#CCNC(=O)CN1CCC2(C1)CN(C(=O)c1ccsn1)C2 1147767090 IOAVBERWUKJKQL-UHFFFAOYSA-N 319.390 -0.069 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)CCCC(=O)NCC 1148192849 XOHJTUDUZUIHSY-GFCCVEGCSA-N 310.398 -0.864 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)c1cnnn1CC 1153176562 LEOLUOCGXSSRPV-LLVKDONJSA-N 321.385 -0.622 30 20 DBED COCC#CCNCCCNC(=O)c1cnn2c(=O)cc[nH]c12 1167783457 BKXLPJDVSOHALH-UHFFFAOYSA-N 317.349 -0.618 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)c1cncnc1CC 1176241152 TVCRVMFZAPJQGI-LBPRGKRZSA-N 317.393 -0.114 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)CNC(=O)[C@@H](C)CC 1176318947 RAKOUINLCAXSQA-STQMWFEESA-N 324.425 -0.618 30 20 DBED COCC#CCN[C@H]1CCN(C(=O)CCS(C)(=O)=O)[C@H]1C 1179005174 CPYZQAMIXANVMS-STQMWFEESA-N 316.423 -0.350 30 20 DBED C=CCNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)c2cc[nH]n2)C1 1181081632 MCSYQYACYREDHL-SNVBAGLBSA-N 320.353 -0.774 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC[C@@H](NCCS(C)(=O)=O)C1 1182214965 NCUCJTLLUJOJQR-YPMHNXCESA-N 304.412 -0.451 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](NCc2nc(COC)no2)C1 1182496432 KHSRQCILEYBHOC-GFCCVEGCSA-N 322.365 -0.054 30 20 DBED C=CCCN1C[C@@H]2CCN(C(=O)CNC(=O)CNC(C)=O)[C@@H]2C1 1188387590 IFCKOSDOTUIDOI-UONOGXRCSA-N 322.409 -0.653 30 20 DBED C=CCCC(=O)N[C@@H]1CN(C[C@H](O)Cn2cccn2)C[C@H]1O 1191651220 CXRCDAFCOMOZAU-BFHYXJOUSA-N 308.382 -0.629 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CN(CC(=O)Nc2ccccc2)C[C@H]1O 1191855198 YMLYTSAIGIDQJQ-IACUBPJLSA-N 316.361 -0.054 30 20 DBED CC[C@@H](SC)C(=O)N[C@@H]1CN(CC#CCOC)C[C@H]1O 1192263679 YJHUMFBJBDKNEU-JHJVBQTASA-N 300.424 -0.061 30 20 DBED C=C(C)CN(C)[C@H]1CCN(C(=O)[C@H](CCC(N)=O)NC(C)=O)C1 1192879060 SVFYGBIDXCSGRF-KBPBESRZSA-N 324.425 -0.135 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)/C(C)=C\C)CCCO1 1200216000 RHFRKPCKGXVYHR-MECSIWFOSA-N 307.394 -0.091 30 20 DBED N#CCNC(=O)CNC[C@@H]1CN(C(=O)C=C2CCC2)CCCO1 1200239928 VQNBYWUMFVECTH-CQSZACIVSA-N 320.393 -0.056 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)CCCO1 1200788301 YTQSXLQLDUZXQS-BZUAXINKSA-N 323.437 -0.064 30 20 DBED C#CCNC[C@@H]1CN(C(=O)c2cnn(C)c2OC)CCCO1 1201957566 CABSGONZLYUULR-GFCCVEGCSA-N 306.366 -0.117 30 20 DBED C=CCOCC(=O)N1C[C@H]2CC[C@H]1[C@@H](NCC(=O)NCC#N)C2 1204134436 GSQPVXJGUYZHKM-IHRRRGAJSA-N 320.393 -0.202 30 20 DBED C=CCCNCC1CCN(C(=O)Cn2cnc(C(N)=O)n2)CC1 1205334405 LBSVGVKTRKDESJ-UHFFFAOYSA-N 320.397 -0.219 30 20 DBED CCO[C@H](CC)C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1206379580 XPZGKKXWUVKVLP-JHJVBQTASA-N 310.398 -0.122 30 20 DBED COCC#CCN1C[C@@H](NC(=O)C2CS(=O)(=O)C2)[C@H](C)C1 1207100872 UQMICYUOMWIQIH-DGCLKSJQSA-N 314.407 -0.883 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)CNC(=O)CCC)C1 1207571188 WPFKZIAPBIUJBM-ZDUSSCGKSA-N 322.409 -0.767 30 20 DBED Cc1ncc(C(=O)N2CCC[C@H](NCC(=O)NCC#N)C2)[nH]1 1207673064 VPORHBAACVUVCF-NSHDSACASA-N 304.354 -0.448 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)Cc2nc[nH]n2)C1 1210586008 SQECNMYYIGHQAD-VXGBXAGGSA-N 318.381 -0.934 30 20 DBED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)c1coc(C)n1 1212164082 XSNSNQQFRXDBPM-ZYHUDNBSSA-N 321.337 -0.948 30 20 DBED C#CCC1(C(=O)N[C@@H]2CN([C@@H]3CCNC3=O)C[C@H]2OC)CCC1 1212393192 HDVKRUHMSMSGMK-MGPQQGTHSA-N 319.405 -0.116 30 20 DBED COCC#CCN1C[C@@H](NC(=O)Cc2[nH]cnc2C)[C@H](OC)C1 1213781815 WZSCPBVRYCPIGQ-HUUCEWRRSA-N 320.393 -0.274 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CNC(=O)CC)C[C@H]1C 1214355790 ILNSIOKYPLRRAE-JHJVBQTASA-N 324.425 -0.360 30 20 DBED C=CCCOCC(=O)N1CCO[C@@H]2CN([C@H](C)C(N)=O)C[C@@H]21 1219060588 QVBCFFIBBMYIPC-FRRDWIJNSA-N 311.382 -0.636 30 20 DBED C=CCOCCCC(=O)N[C@@H]1CN(C[C@H](O)COC)C[C@@H]1O 1219426363 AJQGFVJDMDWZFL-MJBXVCDLSA-N 316.398 -0.862 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)C2=CCCC2)C1 1219455694 VRJZYIULGWJLRA-BNOWGMLFSA-N 307.394 -0.051 30 20 DBED C=CCCCN1C[C@H](O)[C@H](NC(=O)CS(=O)(=O)CCC)C1 1220996482 XVOBUAQFSLTYCL-OLZOCXBDSA-N 318.439 -0.061 30 20 DBED COCC#CCN1CC[C@@H]2CN(C(=O)[C@H](C)CC(N)=O)[C@@H]2C1 1221736919 ILXQBOHVVNAQMD-MGPQQGTHSA-N 307.394 -0.320 30 20 DBED CO[C@@H](C(=O)N(C)C[C@H]1CCN1CC(=O)NCC#N)C1CC1 1234049983 NEQLHRPCQMFWBT-TZMCWYRMSA-N 308.382 -0.416 30 20 DBED C#CCSCCNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C 1261381066 XMOBLLSTUGWYTA-GHMZBOCLSA-N 313.423 -0.302 30 20 DBED Cc1cc(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)n(CCC#N)n1 1319959727 FICKLWGAWJQKLB-NSHDSACASA-N 316.321 -0.205 30 20 DBED CN1CCC(CCNC(=O)C(=O)N2CCO[C@@H](C#N)C2)CC1 1322507694 PMHHYQNKPXSQHY-ZDUSSCGKSA-N 308.382 -0.415 30 20 DBED C[C@H](NC(=O)C(=O)N1CCC[C@](C)(C#N)C1)[C@@H]1CN(C)CCO1 1324279558 CPQFUFFXJCOJAR-HEHGZKQESA-N 322.409 -0.026 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCc3c[nH]nc32)CCO1 1324667198 UKTVZAYKIHQZDT-MNOVXSKESA-N 303.322 -0.346 30 20 DBED C#CCCCCNC(=O)C(=O)N1C[C@H](O)C[C@@H](C(=O)OC)C1 1329346352 GVXQMVKQMFYVKP-VXGBXAGGSA-N 310.350 -0.712 30 20 DBED C=C[C@H](CO)NC(=O)C(=O)Nc1ccc(OCC(=O)NC)cc1 1329784215 KRDQBAZWLQSQJK-SNVBAGLBSA-N 321.333 -0.587 30 20 DBED CCN1C[C@H](CNC(=O)C(=O)N2CC[C@@](F)(C#N)C2)CC1=O 1329863832 SXABIZSBINWTKF-IINYFYTJSA-N 310.329 -0.565 30 20 DBED COC(=O)N(C)CCNC(=O)C(=O)N1CCC[C@H](CC#N)C1 1330705323 ZRVFXLCCPIHCRE-LLVKDONJSA-N 310.354 -0.047 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N1C[C@H](OC)[C@H](OC)C1 1350308795 GJQISLLBDUFWMD-BETUJISGSA-N 312.366 -0.643 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC(C(=O)O)([S@](C)=O)CC1 1354051114 LRZABSGJZZNWLR-SBKAZYGRSA-N 301.364 -0.151 30 20 DBED COCCn1cc(NC(=O)Cn2cc(C#N)c(O)nc2=O)cn1 1361941050 JODUNPBUIGPLFX-UHFFFAOYSA-N 318.293 -0.698 30 20 DBED N#CCc1ccccc1C(=O)N1C[C@@H](C(N)=O)[C@H](C(N)=O)C1 1363317090 PFUVSMOSOMWMST-VXGBXAGGSA-N 300.318 -0.589 30 20 DBED Cc1nc(C#N)cc(N2CCC[C@H](CNS(N)(=O)=O)C2)n1 1364145493 BQIXMIUOXDUZFY-SNVBAGLBSA-N 310.383 -0.334 30 20 DBED CS(=O)(=O)CC(=O)N[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 1385144302 YEDOMEHIRAJLNR-SNVBAGLBSA-N 324.362 -0.738 30 20 DBED C=C(Cl)CN[C@H]1CCN(C(=O)CNS(=O)(=O)CC)C1 1389773952 PYXCJFFQIXLDNN-JTQLQIEISA-N 309.819 -0.131 30 20 DBED CCCCS(=O)(=O)CC(=O)N[C@@H](C)CNC(=O)[C@@H](C)C#N 1397588002 PVRRDDSEFCQSGO-QWRGUYRKSA-N 317.411 -0.018 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N1CC[C@@H](C(=O)N(C)C)C1 1414284200 WXBHBFICKQFOPO-GHMZBOCLSA-N 302.400 -0.125 30 20 DBED CC(C)N1CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)CC1 1417606002 ULUQRPOXQGFMLD-UHFFFAOYSA-N 305.338 -0.627 30 20 DBED N#Cc1cn(CC(=O)N2CCC[C@@]23CCOC3=O)c(=O)nc1O 1417719974 FMRNCVYFFOOINY-AWEZNQCLSA-N 318.289 -0.871 30 20 DBED COc1cncc(C(=O)N(C)C[C@@H](O)CNC(=O)[C@H](C)C#N)n1 1428189947 KFFWGIVRVKXBLB-ZJUUUORDSA-N 321.337 -0.806 30 20 DBED C[C@H](C#N)C(=O)NC1CN(C(=O)[C@@H]2CCCN2C(=O)C2CC2)C1 1430286735 CNMNZCSFRPJEDX-MFKMUULPSA-N 318.377 -0.126 30 20 DBED CC[C@H](CNC(=O)c1cnn[nH]1)NC(=O)c1cc(C#N)c[nH]1 1430640825 GEKPBCCEMOOXIU-SECBINFHSA-N 301.310 -0.057 30 20 DBED COC(=O)CCCN(C)C(=O)CCn1cc(C#N)c(O)nc1=O 1433610342 CUCTULFWGSEHCL-UHFFFAOYSA-N 322.321 -0.378 30 20 DBED N#Cc1ccc(NCC(=O)NC[C@@H](O)CN2CCCC2=O)nc1 1433799202 YEWKDHJGYGUVLF-GFCCVEGCSA-N 317.349 -0.535 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CN(C)C(=O)CCc1ccon1 1444699806 YAIZMNKGSQKGCB-ZYHUDNBSSA-N 308.338 -0.298 30 20 DBED COc1ncc(NC(=O)Cn2nc(C)n(C)c2=O)cc1C#N 1462906046 FWBJYRHXZZFGDW-UHFFFAOYSA-N 302.294 -0.196 30 20 DBED CCNC(=O)NC(=O)[C@@H](C)N[C@H]1C[C@H](CNC(=O)[C@H](C)C#N)C1 1488815774 BEQFZFNBHVCYDC-DDHJBXDOSA-N 323.397 -0.135 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)[C@@H](C)S(C)(=O)=O)C1 1494071990 RRCBKIPSOPNOJO-JXUBOQSCSA-N 301.368 -0.657 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)CCc1cccnc1 1501567358 GXEGGOUENPHQES-DGCLKSJQSA-N 304.350 -0.233 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(CC)[C@@H]2CCCNC2)C1=O 1524267767 RJMFKRYIDWFFSN-LLVKDONJSA-N 322.365 -0.436 30 20 DBED C#CCNC(=O)CNC[C@H]1CCCN1C(=O)c1ccnn1CC 1569537915 GYKOYMMWPWUEKJ-CYBMUJFWSA-N 317.393 -0.153 30 20 DBED C[C@@H](CN(C)c1nccnc1-c1nn[nH]n1)NC(=O)[C@@H](C)C#N 1574823115 BGHHNQBMLOFNMU-IUCAKERBSA-N 315.341 -0.243 30 20 DBED C=CCN1CC[C@H](N(C)CCc2cn(CC(=O)O)nn2)C1=O 1588839120 OPZCLVWROXEUPU-LBPRGKRZSA-N 307.354 -0.376 30 20 DBED N#CC1(C(=O)O)CCN(S(=O)(=O)CCn2cccn2)CC1 1601052332 OVNXBSAVQSCEGQ-UHFFFAOYSA-N 312.351 -0.097 30 20 DBED C=CCCC[C@@H](NC(=O)Cn1ncn2nccc2c1=O)C(=O)O 1602866162 ZBWXYFCGQOBCOF-SNVBAGLBSA-N 319.321 -0.183 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)O 1602940470 XUBTVQFHTFCZSY-UTLUCORTSA-N 303.336 -0.712 30 20 DBED N#CCC(=O)N1CCN(C(=O)[C@H]2CO[C@H](CCC(=O)O)C2)CC1 1605582235 VZDZPAOXQLDJMG-VXGBXAGGSA-N 323.349 -0.159 30 20 DBED Cc1cc(NC(=O)C(=O)NC[C@@H](C)C#N)ncc1-c1nn[nH]n1 1605702800 HPVCXQBNWPVXFB-ZETCQYMHSA-N 314.309 -0.216 30 20 DBED Cc1nc(-c2nn[nH]n2)c(C#N)n1Cc1cn(C)nc1[N+](=O)[O-] 1606018110 RADRLHJQOBUIPE-UHFFFAOYSA-N 314.269 -0.067 30 20 DBED N#CCC1(O)CN(C(=O)c2csc(S(N)(=O)=O)c2)C1 1645710844 RDWMLFNDMRCKNA-UHFFFAOYSA-N 301.349 -0.504 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N2CCC[C@@H](CC(N)=O)C2)CCO1 1647180298 WUBXFEJFCAIXSD-WDEREUQCSA-N 316.383 -0.957 30 20 DBED CSCC[C@H](NC(=O)Cn1cnc(C#N)n1)C(=O)N(C)C 1649816381 UWXOOXOTTPZICI-VIFPVBQESA-N 310.383 -0.524 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)C[C@@H]2CCC(=O)NC2)C1 1713824555 PNRLIRKDGYIGFO-STQMWFEESA-N 322.409 -0.605 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC[C@@H](NC(=O)Cn2ccnc2)C1 1715006401 KVKGPJVNVQDYKL-CHWSQXEVSA-N 305.382 -0.236 30 20 DBED C=CCNC(=O)CNC[C@@H]1CCCCN1C(=O)[C@H]1C[C@H]1C(N)=O 1717358824 FKTGUFZPJLDWLG-XQQFMLRXSA-N 322.409 -0.619 30 20 DBED Cc1nc(C)c(C(=O)N[C@@H]2CCCN(CC(=O)NCC#N)C2)[nH]1 1731354415 ZSUUDSJCEJLPOM-GFCCVEGCSA-N 318.381 -0.139 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCCN1CCN([C@@H](C)C(N)=O)CC1 1752372876 KBPRQASCWSDOGZ-MJBXVCDLSA-N 324.425 -0.815 30 20 DBED C=CCNC(=O)CN[C@H]1C[C@H](NC(=O)C[C@@H]2CCN(C)C2=O)C1 1752641151 DFUVDVVDZJDUNQ-AVGNSLFASA-N 322.409 -0.606 30 20 DBED C=CCNC(=O)[C@@H](C)N(C)CCNC(=O)c1cnn(C)c1OC 1753072238 OPCGWSNUXQGPJU-LLVKDONJSA-N 323.397 -0.219 30 20 DBED C[C@@H](C(=O)NC(N)=O)N(C)C[C@H]1CCN(C(=O)C#CC2CC2)C1 1753348009 MJFRUKANRUAKOR-WCQYABFASA-N 320.393 -0.237 30 20 DBED Cc1nc(C)c(CC(=O)NC2CN(CC(=O)NCC#N)C2)s1 1753381927 BENCRIADCVNUOZ-UHFFFAOYSA-N 321.406 -0.257 30 20 DBED CC(C)C[C@@H](CNCC(=O)NCC#N)NC(=O)c1cnns1 1753732546 IQBAQGUTYVBAEU-JTQLQIEISA-N 324.410 -0.088 30 20 DBED C#CCOCCC(=O)N[C@H]1CCC[C@@H]1CNCc1nnnn1C 1753885470 UOEXPBQUUZFYHY-OLZOCXBDSA-N 320.397 -0.376 30 20 DBED C=CCN1CC[C@H](NC/C=C\CNC(=O)C2(C(N)=O)CC2)C1=O 1754163511 DQONHADVPOPYJN-MVZIDQBPSA-N 320.393 -0.699 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCC1(O)CN(CCOCC)C1 1754768802 BGFQTBGMRJVLJY-AWEZNQCLSA-N 309.410 -0.717 30 20 DBED N#CCNC(=O)CN1CC(O)(CNC(=O)[C@@H]2CC[C@H]3C[C@H]3C2)C1 1754769474 BFDMTEIXECCBNV-XQQFMLRXSA-N 320.393 -0.775 30 20 DBED C#CCCCC(=O)NCC1(O)CN(CCn2nc(C)nc2C)C1 1754775315 UGWAQJYYTBEPCW-UHFFFAOYSA-N 319.409 -0.139 30 20 DBED C#CCN1CCC[C@@](CO)(NC(=O)c2ccoc2CC(N)=O)C1 1754858421 ZWSVWLLBFSIMMO-MRXNPFEDSA-N 319.361 -0.503 30 20 DBED C=CCNC(=O)[C@H](C)NC[C@H]1CN(C(=O)c2ccon2)CCO1 1754994461 JFJDWAHDERSNKG-RYUDHWBXSA-N 322.365 -0.204 30 20 DBED C=CCNC(=O)CNC[C@H]1CN(C(=O)c2n[nH]cc2C)CCO1 1755002423 QRKFDDKGCNQWCH-LBPRGKRZSA-N 321.381 -0.549 30 20 DBED N#CCNC(=O)CN1CCC[C@@H](NC(=O)Cc2ncc[nH]2)CC1 1755030581 DQTJBHLQOSKBIC-GFCCVEGCSA-N 318.381 -0.437 30 20 DBED C=CCNC(=O)CNCC1CC(NC(=O)[C@H]2CCN(C)C2=O)C1 1755216400 YAYARNJEACKZHB-WXRRBKDZSA-N 322.409 -0.749 30 20 DBED Cn1ncnc1CN1CC(CCO)(NC(=O)C#CC(C)(C)C)C1 1755331852 TWFUURZRFWSGIH-UHFFFAOYSA-N 319.409 -0.082 30 20 DBED C#CCNC(=O)[C@H](C)N1CC(CCO)(NC(=O)C2(C)CC2)C1 1755334012 RIRRGAUUNMVAMO-LBPRGKRZSA-N 307.394 -0.523 30 20 DBED C=C(C)CCN[C@H]1C[C@H](C)N(C(=O)c2cn(CC(N)=O)nn2)C1 1755691741 AXNHMXMXTOKIHP-RYUDHWBXSA-N 320.397 -0.078 30 20 DBED CC#CCNCCOCCN(C)C(=O)c1ccn2nnnc2c1 1755874999 BBQGFASAABWBEM-UHFFFAOYSA-N 316.365 -0.174 30 20 DBED C#CCCCC(=O)N(C)[C@H](CNC(=O)Cn1ncnn1)C1CC1 1756410062 XBDGJSGSNQKGKV-CYBMUJFWSA-N 318.381 -0.170 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](CO)CNC(=O)c1cnc(C)[nH]1 1756516764 CKXJTOHHSNXAGU-LOWVWBTDSA-N 322.365 -0.484 30 20 DBED C#CCOCCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cccnc2)C1 1756975454 GAHYATNMGMGBPM-ZIAGYGMSSA-N 317.345 -0.577 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(C(=O)CCCC(N)=O)C[C@H]1OC 1757125608 YSWWNCPUXXPTMI-CHWSQXEVSA-N 323.393 -0.213 30 20 DBED C=CCCC(=O)N[C@@H]1CN(C(=O)c2ccn(C)c(=O)c2)C[C@@H]1O 1757162854 YQKJEVGJFVIRSH-OLZOCXBDSA-N 319.361 -0.347 30 20 DBED CC#CCCCC(=O)N[C@@H]1CN(C(=O)CC(=O)NC)C[C@@H]1O 1757201374 GKJVTVFLHKGYNF-NEPJUHHUSA-N 309.366 -0.996 30 20 DBED CN1CCO[C@@H](C(=O)N2CC[C@@H]2CN(C)C(=O)C#CC2CC2)C1 1757288484 AUGLSIGVUMZDHK-HUUCEWRRSA-N 319.405 -0.210 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cn(C)nc1C)CCO2 1783046997 VDRPILBPSCLFCW-INIZCTEOSA-N 316.361 -0.195 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnccn1)CCO2 1783048081 OTQXNPOYNGIBRE-OAHLLOKOSA-N 300.318 -0.447 30 20 DBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C#CC1CC1)CCO2 1831221103 DHGCZXPUVGXGJP-KRWDZBQOSA-N 316.357 -0.511 30 20 DBED CCn1cc(C#N)c(=O)n(CC(=O)NCC(F)(F)F)c1=O 26158643 GVJMIGQFUBJRTK-UHFFFAOYSA-N 304.228 -0.420 30 20 DBED C#CCSCCNC(=O)C(=O)Nc1ccn(CCN(C)C)n1 153579811 RRECCZSMCRHZKX-UHFFFAOYSA-N 323.422 -0.134 30 20 DBED C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H](O)C2)c1 177370602 ZHGSJSRIJXNCSM-LBPRGKRZSA-N 308.359 -0.195 30 20 DBED N#CCCN(CCN1CCOCC1)C(=O)CCn1ccnn1 195158723 ZCVWWMWWAUIHNV-UHFFFAOYSA-N 306.370 -0.257 30 20 DBED C[S@](=O)C1(C/N=C(/N)N2CCN(c3ncccn3)CC2)CC1 262817438 XCFGWUPHONAHNU-QFIPXVFZSA-N 322.438 -0.176 30 20 DBED N#Cc1ccc(/C=C/C(=O)N2CCN(S(N)(=O)=O)CC2)cc1 263684828 HQYOERIHZGGOLH-AATRIKPKSA-N 320.374 -0.081 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)[C@H](C)CS(C)(=O)=O)C1=O 280987327 AEFYPSKHCIZGIJ-MNOVXSKESA-N 302.396 -0.088 30 20 DBED C=CCCOCCNC(=O)C(=O)N1CCN(CCOC)CC1 289367215 JAAGSXAYNMXPES-UHFFFAOYSA-N 313.398 -0.514 30 20 DBED N#Cc1ccc(O[C@H]2CCN(CCC(=O)NC(N)=O)C2)nc1 292267403 RWWUFUNFNDZFJW-NSHDSACASA-N 303.322 -0.009 30 20 DBED C=CCNC(=O)CN(CC(=O)NCC=C)CC(=O)NC(C)C 298423890 MLIPGKOQKZEOSU-UHFFFAOYSA-N 310.398 -0.583 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C)Cn2ccnc2)C1=O 299599898 XJFZYFPLRBBUPM-SNVBAGLBSA-N 319.321 -0.635 30 20 DBED CS(=O)(=O)N1CC[C@H](C/N=C(/O)NC[C@H](O)C2CC2)C1 328669405 FDEZPFWXRPBFJX-KOLCDFICSA-N 305.400 -0.458 30 20 DBED CN(C)/C(O)=N/CCNC(=O)CCN1CCCS1(=O)=O 330706875 LRLCMXXMOAQUTA-UHFFFAOYSA-N 306.388 -0.996 30 20 DBED CC(=O)N1CCN(C(=O)[C@H](C)Nc2ccn(CCC#N)n2)CC1 331268453 DORIXEHCDQJKMM-LBPRGKRZSA-N 318.381 0.288 30 20 DBED N#CCSCC(=O)NCCNS(=O)(=O)c1cccnc1 342841613 QAMHPGPNZHWWFW-UHFFFAOYSA-N 314.392 -0.267 30 20 DBED N#Cc1ccc(S(=O)(=O)CCN2CCS(=O)CC2)nc1 343806347 DXWXYMLYUDASSC-UHFFFAOYSA-N 313.404 -0.209 30 20 DBED N#Cc1ccc(S(=O)(=O)CCN2CCC[C@H]2C(N)=O)nc1 344018131 FHPGEGJAKLKMHP-NSHDSACASA-N 308.363 -0.323 30 20 DBED CO[C@@H](C)c1nc(=NC(=O)NCCn2cnc(C#N)n2)s[nH]1 350638904 NLUUOUCDKBTXJO-ZETCQYMHSA-N 322.354 -0.048 30 20 DBED N#CCNC(=O)CNC(=O)N1CCN(c2ccccc2)C(=O)C1 358309009 HYDVZOQDFJRBFY-UHFFFAOYSA-N 315.333 -0.315 30 20 DBED C[C@H]1C(=O)NCCCN1CCS(=O)(=O)c1ccc(C#N)cn1 377526070 UERXRHBPHWWTMY-NSHDSACASA-N 322.390 -0.063 30 20 DBED C=CCCS(=O)(=O)N1CCC(NS(=O)(=O)NC)CC1 408420463 WXBPFTPNGORAPA-UHFFFAOYSA-N 311.429 -0.590 30 20 DBED C=CCCn1cc(C(=O)NCCN2CCCS2(=O)=O)nn1 424618769 ANOOAEATPSPICI-UHFFFAOYSA-N 313.383 -0.381 30 20 DBED COC(=O)CN(CC(=O)OC)S(=O)(=O)CC1(CC#N)CC1 451162541 NNLPJRNTLOYHSG-UHFFFAOYSA-N 318.351 -0.342 30 20 DBED C#CCN1CCN(C(=O)Cn2ncc3c2C[C@H](O)CC3)CC1 490712874 HEHJGWPUPLKKKK-CQSZACIVSA-N 302.378 -0.490 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2ccc(O)nc2C)CC1 491495315 IKVYPHGRVLPNCO-UHFFFAOYSA-N 316.361 -0.397 30 20 DBED C[C@@H]1OC(=O)N[C@@H]1C(=O)OCc1cc(O)n2ncc(C#N)c2n1 497255619 ZYZPKLXBMAUQOF-WKEGUHRASA-N 317.261 -0.153 30 20 DBED Cc1ccc(C#N)cc1S(=O)(=O)NC[C@H](O)Cn1ccnn1 516878917 ZXEWZZYLVLSLFG-LBPRGKRZSA-N 321.362 -0.202 30 20 DBED N#Cc1ccc(OC[C@H](O)CNC[C@@H]2CC[C@H](C(N)=O)O2)cc1 518362695 SWWQFGWEUBLRHL-VHDGCEQUSA-N 319.361 -0.080 30 20 DBED CNS(=O)(=O)N1CCN(C(=O)c2cc(C#N)oc2C)CC1 577856153 ODYGQVLQMVVXPK-UHFFFAOYSA-N 312.351 -0.318 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@H](C)CCC(=O)O 582185036 VILQDKGINOMVQW-SNVBAGLBSA-N 307.372 -0.064 30 20 DBED CO[C@H]1CS(=O)(=O)C[C@@H]1NS(=O)(=O)CC1(CC#N)CC1 594823129 RVHXTXLCUVKTED-UWVGGRQHSA-N 322.408 -0.588 30 20 DBED CC[C@@]1(C)NC(=O)N(CC(=O)NC2CCN(CC#N)CC2)C1=O 609328460 GFZANYLRXCBKTF-OAHLLOKOSA-N 321.381 -0.189 30 20 DBED O=C(NCC#CCNC(=O)C1(O)CCCC1)C1(O)CCCC1 681340350 HAXGQBUFONHQIL-UHFFFAOYSA-N 308.378 -0.168 30 20 DBED C=CCOCCNC(=O)NCCNS(=O)(=O)NC(C)C 683214251 CCMSFEPSPHWZQW-UHFFFAOYSA-N 308.404 -0.679 30 20 DBED C#CCNC(=S)NNS(=O)(=O)c1cccc([N+](=O)[O-])c1 758173286 SRZSKYSJCIJTQX-UHFFFAOYSA-N 314.348 -0.115 30 20 DBED COC[C@@H](NS(=O)(=O)c1ccc(F)cc1C#N)C(N)=O 758487597 UBQAILOWULHPED-SECBINFHSA-N 301.299 -0.524 30 20 DBED CC(=O)N1CCC[C@H](C(=O)NS(=O)(=O)CCCC#N)C1 776123595 PRFXHFWFVMIKGO-NSHDSACASA-N 301.368 -0.005 30 20 DBED N#Cc1ccc([C@@H](O)CN2CCN3C(=O)NC(=O)[C@@H]3C2)cc1 778954472 WZLXRYFNBXDKTQ-STQMWFEESA-N 300.318 -0.172 30 20 DBED C#C[C@@H](NC(=O)C(=O)NCCCn1cccn1)[C@H]1CCCO1 787053313 VIULWXMICXURHI-CHWSQXEVSA-N 304.350 -0.314 30 20 DBED CC#CCS(=O)(=O)NC(=O)c1cccc(-n2cnnn2)c1 791111153 OPXHWKDGXHTXOK-UHFFFAOYSA-N 305.319 -0.255 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@@H]1CCN(C(C)C)C1=O)[C@@H]1CCCO1 806261210 QDYQWTZQEOWJEK-XQQFMLRXSA-N 321.377 -0.591 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CC[C@@]2(CCOC2)C1)[C@@H]1CCCO1 809313217 RXVGAYFDLXKKSN-HEHGZKQESA-N 306.362 -0.078 30 20 DBED C[C@@H]1CCCC[C@H]1NC(=S)NN=C1C(=O)NC(=O)NC1=O 814215391 OPOKBKOGBBRPFC-RNFRBKRXSA-N 311.367 -0.249 30 20 DBED C#CCNC(=O)CCN1CCC(N2CCC[C@H]2C(N)=O)CC1 815074604 YVPCXJDSXOXCOR-AWEZNQCLSA-N 306.410 -0.460 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)c2cc[nH]c2C)CC1 831565536 UZDOFKWWPXIADL-UHFFFAOYSA-N 310.379 -0.451 30 20 DBED CC1(C)NC(=O)N(CCCC(=O)N[C@H]2CNC[C@H]2C#N)C1=O 834499378 HYCRPZUVAQJEME-ZJUUUORDSA-N 307.354 -0.675 30 20 DBED N#C[C@@H]1CNC[C@@H]1NC(=O)CNC(=O)c1ccc(F)cc1F 834516672 KOHVKCMBOKHAEU-PELKAZGASA-N 308.288 -0.078 30 20 DBED C#CCNC(=O)CCN1C[C@H](C(=O)OC)CC[C@H]1C(=O)OC 859600211 CCVJCCPMCQPUDQ-NEPJUHHUSA-N 310.350 -0.448 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N1CCn2nc(C)nc2C1 875599669 SKQAKZBWUMFBLV-GFCCVEGCSA-N 319.365 -0.527 30 20 DBED C#CCSCC(=O)NCCS(=O)(=O)N1CCOCC1 888594125 WBDQSMGGJKSBEN-UHFFFAOYSA-N 306.409 -0.869 30 20 DBED CN(C)CC#CCNC(=O)CNS(=O)(=O)c1cccnc1 913523569 FWPYGNGVVQOEHB-UHFFFAOYSA-N 310.379 -0.959 30 20 DBED CN(C)CC#CCNC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 913524458 NCJIUDSZXAWZGO-LBPRGKRZSA-N 301.412 -0.661 30 20 DBED C=CCNC(=O)CN[C@H](C)C1CCN(S(C)(=O)=O)CC1 925978099 AGAROYSZXINPAB-LLVKDONJSA-N 303.428 -0.062 30 20 DBED CN(C(=O)[C@@H]1CCC(=O)NC1)[C@@H]1CCN(C(=O)C#CC2CC2)C1 937350584 WYPUPXBWBQTUHW-ZIAGYGMSSA-N 317.389 -0.015 30 20 DBED C[C@@H](C(=O)N[C@H]1CCN(C(=O)[C@H](C)C#N)C1)N1CCOCC1 938250735 UKUCKQMJHPSCNR-AGIUHOORSA-N 308.382 -0.416 30 20 DBED O=C1NC[C@@H](C(=O)N[C@H]2CCCCN(C(=O)C#CC3CC3)C2)N1 943488534 RSXTWYIMYHXOOJ-STQMWFEESA-N 318.377 -0.422 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)c2ncccn2)C1 944739337 DEWIKNCGEOZDPN-MNOVXSKESA-N 303.322 -0.407 30 20 DBED C[C@H](C#N)C(=O)N1CCC(NC(=O)[C@H]2CN(C)C(=O)N2)CC1 948110393 YADUKABKXOVTOZ-MWLCHTKSSA-N 307.354 -0.723 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H](NC(=O)C2CS(=O)(=O)C2)C1 951867934 NGMSXJMROHSSTG-GXSJLCMTSA-N 313.379 -0.702 30 20 DBED C=C(C)C(C)(C)C(=O)N1CC[C@@H]1CNC(=O)[C@H]1CNC(=O)N1 951874973 RQLWRGCNWVBTOH-GHMZBOCLSA-N 308.382 -0.013 30 20 DBED COc1ncc(C(=O)NC[C@@H]2CCN2C(=O)[C@@H](C)C#N)cn1 951941472 NRFGYSFHKHWHSJ-ONGXEEELSA-N 303.322 -0.024 30 20 DBED C[C@@H](C#N)C(=O)N1CC(N(C)C(=O)[C@@H]2CCc3nncn3C2)C1 954497007 RERJJTDRKXHRAI-WDEREUQCSA-N 316.365 -0.331 30 20 DBED Cn1nnc2ccc(C(=O)NC[C@@H]3CN(CC#N)C[C@H]3O)cc21 958625316 JDDBSHRFUMXAFL-BXUZGUMPSA-N 314.349 -0.486 30 20 DBED N#Cc1c[nH]c(C(=O)N2C[C@H](O)[C@H](NC(=O)c3ccc[nH]3)C2)c1 961530117 VFUHUEBCTGJXKT-OLZOCXBDSA-N 313.317 -0.170 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC34CC4)C[C@@H]2O)c[nH]1 962392906 LCIPBJIAUXHHAE-UPJWGTAASA-N 314.345 -0.012 30 20 DBED C=CCN1CC[C@H](NCC2CC(NC(=O)c3cnon3)C2)C1=O 962448160 WSYGLWHDHOIPLC-MCIGGMRASA-N 319.365 -0.046 30 20 DBED Cc1nnc2n1C[C@H](C(=O)N[C@H]1[C@@H]3CN(CC#N)C[C@@H]31)CC2 962722065 QBHUTSSSYDGGEI-NMKXLXIOSA-N 300.366 -0.281 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(CC1)C[C@@H]2NC(=O)Cn1nccn1 963895701 YPUHTDLSRGOLNQ-RYUDHWBXSA-N 316.365 -0.065 30 20 DBED C=CCN1CC[C@@H](C)[C@@H](NC(=O)CN2CCC(=O)NC2=O)C1 968514927 ZXPWVNIFMWLFQM-NEPJUHHUSA-N 308.382 -0.059 30 20 DBED C=C(Cl)CN(C)[C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 972074886 FZWMYTDAWGJUNW-GFCCVEGCSA-N 314.817 -0.297 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)C3CN(C(C)=O)C3)C2)C1 972356656 DULWEEHAUDTXGO-INIZCTEOSA-N 305.378 -0.599 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)c3cnn(C)n3)C[C@H]21 974975952 SBCUAKXJJXSVFA-HOSYDEDBSA-N 302.338 -0.352 30 20 DBED C#CCCN1C[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C(C)(C)C1 975106763 PQTIBJNGEKQKHC-WDEREUQCSA-N 306.366 -0.566 30 20 DBED C=C[C@](C)(CC)C(=O)N1C[C@H]2[C@H](NC(=O)[C@@H]3CNC(=O)N3)[C@H]2C1 977082086 FFYDZCHFVKCSTA-OOPIDFETSA-N 320.393 -0.157 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2[C@@H]3CN([C@@H](C)C(N)=O)C[C@H]23)nn1 978822149 WIGLCDVDPNTTOG-FIQHERPVSA-N 318.381 -0.755 30 20 DBED C#CCN[C@H]1CCC[C@@H](NC(=O)CN2CCCS2(=O)=O)C1 981125079 QBPJXAKWZDBAQA-QWHCGFSZSA-N 313.423 -0.328 30 20 DBED N#CCN1CCCN(C(=O)C2CC3(C2)CS(=O)(=O)C3)CC1 981446776 MSKISJAYAYVZFK-UHFFFAOYSA-N 311.407 -0.131 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1CCCN(C(=O)C(N)=O)C1 984578982 PXJHYAJCEADPNK-AVGNSLFASA-N 323.393 -0.098 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H](N(C)C(=O)Cn2ncnn2)C1 984584230 GNSBBZRBMRCMID-QWRGUYRKSA-N 305.342 -0.718 30 20 DBED CC(=O)N1CCO[C@@H](C(=O)N2CCC(N(C)CC#N)CC2)C1 985776496 QKYKFYGXYRRCNB-CQSZACIVSA-N 308.382 -0.320 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)c2ccnn2C)C1 990441344 PIBRBFZIAFHIIP-YPMHNXCESA-N 304.350 -0.048 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C 994643302 VTZIUSMUYKNBIO-KKOKHZNYSA-N 309.366 -0.727 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)Cn2ccnc2)C1 994917641 JLBQJUUYHUBRKL-OLZOCXBDSA-N 304.350 -0.199 30 20 DBED C#CCNC1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)CC1 997176226 NGSPOKHXJLGUIN-UHFFFAOYSA-N 300.322 -0.755 30 20 DBED C#CCN1CCC(C(=O)N[C@@H](C)C2CN(C(=O)COC)C2)CC1 1006244711 PTIHCCMEEGXASR-ZDUSSCGKSA-N 321.421 -0.059 30 20 DBED CC1(C)CN(C(=O)C#CC2CC2)C[C@@H]1NC(=O)[C@@H]1CNC(=O)N1 1008517275 SHZWCMYFBHKRMQ-RYUDHWBXSA-N 318.377 -0.566 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCN(C(=O)c2cn[nH]c2)CC1 1010454458 NMYANFLDDFJKSP-AWEZNQCLSA-N 315.377 -0.208 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCCN(C(=O)C3(C(N)=O)CC3)C2)C1 1010829809 JUKFOFHAJRHZAB-LLVKDONJSA-N 318.377 -0.137 30 20 DBED COc1c(C(=O)NC2[C@@H]3CN(C(=O)[C@@H](C)C#N)C[C@@H]23)cnn1C 1013527995 RBVHEUZGFMXGFF-JMJZKYOTSA-N 317.349 -0.225 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(Cc2nc(O)n[nH]2)C1 1015726054 JADYTWYJQBBSRQ-AXFHLTTASA-N 307.354 -0.208 30 20 DBED N#Cc1c[nH]c(C(=O)N2C[C@@H]3CCN(C(=O)CC(N)=O)[C@@H]3C2)c1 1021264311 NPLZAHKDBQOVDD-CMPLNLGQSA-N 315.333 -0.565 30 20 DBED C=CCn1cc(C(=O)N[C@H]2C[C@@H](NCc3cn(C)nn3)C2)nn1 1022824766 MRZCETCXAVUXPH-PHIMTYICSA-N 316.369 -0.357 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnc(O)n2C)C1 1025009312 FKKHJCQPISMISF-MWLCHTKSSA-N 322.365 -0.361 30 20 DBED C=C(C)CN1CC[C@H](CNC(=O)C2CC3(C2)NC(=O)NC3=O)C1 1028865119 XGOCLFUYNIBFDF-OPGSHWCFSA-N 320.393 -0.011 30 20 DBED C=CCN1CC[C@@H](N2CC[C@H](CNC(=O)c3cnon3)C2)C1=O 1028883398 OFLRJBNPMHLWBG-DGCLKSJQSA-N 319.365 -0.092 30 20 DBED N#Cc1cc(C(=O)NCC2CN(CC(=O)NC3CC3)C2)c[nH]1 1031622432 GYRMIHKYFQMXNK-UHFFFAOYSA-N 301.350 -0.173 30 20 DBED CC#CCN1CC(CNC(=O)[C@@H]2CCc3nnn(C)c3C2)C1 1031927014 YJCMLYMGAVOJHD-CYBMUJFWSA-N 301.394 -0.009 30 20 DBED C=CCn1cc(C(=O)N(C)[C@H]2CCN([C@@H](C)C(N)=O)C2)nn1 1033484991 UXLGBGTYTJZKTB-QWRGUYRKSA-N 306.370 -0.516 30 20 DBED N#CCN1CCCC[C@@H](NC(=O)c2nccnc2C(N)=O)C1 1034523426 JVRPYEODXCKMJT-SNVBAGLBSA-N 302.338 -0.317 30 20 DBED C#CCCN1CCO[C@@H](CNC(=O)c2cnc3[nH]nnc3c2)C1 1035399783 WNKASLFWJJGOKU-LBPRGKRZSA-N 314.349 -0.193 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)[C@H]2CCc3nc[nH]c3C2)C1 1035575113 PUNKJBCBIVOPKK-STQMWFEESA-N 302.378 -0.035 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)CN3C(=O)CCC3=O)CC[C@@H]21 1036890124 NLCTUXJXUBDWRP-OLZOCXBDSA-N 303.362 -0.309 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@]1(O)CCN(C(=O)C(F)F)C1 1039578898 AYLFAXHHWJQGDW-QWHCGFSZSA-N 306.309 -0.342 30 20 DBED C#CCN1[C@H]2CCC[C@H]1CN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)C2 1039911109 LBYGJSSLKXOPBC-XDQVBPFNSA-N 305.378 -0.282 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)CN(C)C2CCC2)C1 1040146577 GWRDDQFUIKIPHO-WBMJQRKESA-N 322.409 -0.290 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)c2cncn2C)C1 1040235268 QQVJWGFMRBLVIE-IINYFYTJSA-N 305.338 -0.727 30 20 DBED C=CC(C)(C)C(=O)NC[C@@]1(O)CCN(C(=O)c2nnn(C)n2)C1 1040491247 QLTCADAFUUDPIT-AWEZNQCLSA-N 322.369 -0.885 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)c2cccnn2)C1 1040675543 GZSJAXDBCOTDHM-YGRLFVJLSA-N 303.322 -0.671 30 20 DBED N#CCN1CCC2(CC1)CCN(C(=O)Cn1cnnc1O)C2 1040677254 DXRLJQGVKIQQNA-UHFFFAOYSA-N 304.354 -0.178 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)c2cncnc2)C1 1040760165 FYERPITXLQOERN-HZMBPMFUSA-N 303.322 -0.671 30 20 DBED N#Cc1cnc(N2C[C@@H](O)[C@H](NC(=O)c3cc(F)c[nH]3)C2)cn1 1041258456 TUDAHVKOWQMKGI-VXGBXAGGSA-N 316.296 -0.205 30 20 DBED N#CCSCC(=O)NCC1(O)CN(C(=O)C2[C@H]3CCC[C@H]23)C1 1041569399 WTDJHCVUODBFKR-QWRGUYRKSA-N 323.418 -0.021 30 20 DBED C=CCCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2ccon2)C1 1041698530 BWEVCRYXIYRKMN-NSHDSACASA-N 323.349 -0.041 30 20 DBED CCC(=O)NCC(=O)NCC1(O)CN(C(=O)C#CC(C)(C)C)C1 1042107948 DKBFQYJSFYZGOT-UHFFFAOYSA-N 323.393 -0.748 30 20 DBED COC[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2cc(C#N)c[nH]2)C1 1042400643 FMEXCCHOBBWWIX-SNVBAGLBSA-N 320.349 -0.528 30 20 DBED Cc1ccn(C)c1C(=O)NCC1(O)CN(C(=O)[C@H](C)C#N)C1 1042772320 BLEYWHNUHCZNQP-LLVKDONJSA-N 304.350 -0.204 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)CO[C@H]2CCOC2)C1 1042938046 OTYFESKGKOEZJO-ZDUSSCGKSA-N 324.377 -0.859 30 20 DBED C=CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)c2cnccn2)C1 1043568312 LEZJBMCNEYHHPA-LLVKDONJSA-N 320.349 -0.629 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CN([C@H]2CCC(=O)NC2=O)C1 1043921898 CICQLXHYBIPFJY-AGIUHOORSA-N 321.377 -0.475 30 20 DBED N#Cc1nccnc1N1C[C@H](O)[C@H](NC(=O)c2ccns2)C1 1044230326 JBNLDBPNAVRESQ-ZJUUUORDSA-N 316.346 -0.216 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCO[C@H]2C)C1 1045293676 QEWZSTJJIFSNJQ-QWHCGFSZSA-N 308.378 -0.096 30 20 DBED N#CCN1CC[C@H](N2CCN(C(=O)[C@@H]3COCCO3)CC2)C1 1046006125 GPAYVUSCVCEHCW-KBPBESRZSA-N 308.382 -0.856 30 20 DBED C#CCN1C[C@H]2C[C@@H](NC(=O)c3nccnc3C(N)=O)C[C@H]1C2 1047196184 VJEFFMUQBYPEPO-QJPTWQEYSA-N 313.361 -0.209 30 20 DBED CN(C(=O)[C@H]1CCCc2nc[nH]c21)[C@H]1CN(CC#N)C[C@@H]1O 1047525468 VDJWUPFYCBEWGW-DRZSPHRISA-N 303.366 -0.143 30 20 DBED C#CCOCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2ccon2)C1 1048377322 DEACHSKJKPOSAE-STQMWFEESA-N 321.333 -0.642 30 20 DBED CN(C(=O)C#CC1CC1)[C@H]1CN(C(=O)C2CCOCC2)C[C@@H]1O 1048821087 GPMGXNLUTHQBFD-GJZGRUSLSA-N 320.389 -0.144 30 20 DBED CN1CCN(CC(=O)N2CCC[C@H]3[C@H]2CCN3CC#N)CC1=O 1049561556 MTXSVXITMPDIDZ-UONOGXRCSA-N 319.409 -0.651 30 20 DBED N#CCN1CCC2(CC1)CN(C(=O)[C@H]1CCS(=O)(=O)C1)C2 1050585003 BJWATUXVAADKBK-LBPRGKRZSA-N 311.407 -0.131 30 20 DBED CC(C)C(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1COCCN1CC#N 1051248074 VXHBYUQAHZTGQL-ZIAGYGMSSA-N 322.409 -0.026 30 20 DBED C#CCN1CC2(CC[C@H](CNC(=O)[C@H]3CCNC(=O)C3)O2)C1 1053590350 FWSCAWQFWOMTJE-QWHCGFSZSA-N 305.378 -0.505 30 20 DBED C[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1NCC(=O)N1CCOCC1 1054637070 LTKMHHFWZDPYIE-DZGCQCFKSA-N 319.405 -0.305 30 20 DBED N#Cc1ccc(N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)Cn2ncnn2)nc1 1055108643 GEGLSBHFUYKJJI-AGIUHOORSA-N 324.348 -0.134 30 20 DBED CCC(=O)N[C@@H](C)C(=O)N1C[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2C1 1055369215 WUFHHMOJQYLAFN-ZDEQEGDKSA-N 320.393 -0.022 30 20 DBED Cn1cnc(C(=O)NC2[C@@H]3CN(c4ccc(C#N)cn4)C[C@@H]23)n1 1056201937 MRCULWGOJMHXJY-GHMZBOCLSA-N 309.333 -0.054 30 20 DBED N#Cc1nc(=N[C@@H]2CCN(C(=O)CO[C@@H]3CCOC3)C2)cc[nH]1 1056705540 BQFYKWSYFSKKDU-VXGBXAGGSA-N 317.349 -0.412 30 20 DBED COC[C@@H](C)C(=O)N(CCO)CCNC(=O)c1cc(C#N)c[nH]1 1057189236 MSYJCZHZYKETCK-LLVKDONJSA-N 322.365 -0.280 30 20 DBED C=CCCCC(=O)NCCN(CCO)C(=O)CNC(=O)CC 1057215351 IVLHODBOMUTZDU-UHFFFAOYSA-N 313.398 -0.194 30 20 DBED CCc1nc[nH]c1C(=O)N(CCO)CCNC(=O)[C@H](C)C#N 1058362354 VJTGDFYVNFXERA-SNVBAGLBSA-N 307.354 -0.318 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)CCc1ccon1 1058660540 CAVANHRKNGKCIG-LLVKDONJSA-N 308.338 -0.296 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)CCc1ccon1 1058660541 CAVANHRKNGKCIG-NSHDSACASA-N 308.338 -0.296 30 20 DBED C=C1CC(C)(C(=O)NCCN(CCO)C(=O)Cn2cncn2)C1 1058884580 ZTRLNZDMCRFQDB-UHFFFAOYSA-N 321.381 -0.429 30 20 DBED N#Cc1cncc(N[C@H]2C[C@H](NC(=O)[C@@H]3COCCO3)C2)n1 1059161311 GRQDKVAEPMPKJP-NHCYSSNCSA-N 303.322 -0.177 30 20 DBED N#Cc1nccnc1N[C@H]1C[C@H](NC(=O)[C@@H]2COC(=O)N2)C1 1059212229 XTYCYVAQMHIBEW-NRPADANISA-N 302.294 -0.484 30 20 DBED CNC(=O)NCC(=O)NCC[C@H]1CCN(C(=O)[C@H](C)C#N)C1 1060294112 DIHXGZVUSLFARO-MNOVXSKESA-N 309.370 -0.570 30 20 DBED CCC(=O)NCC(=O)N1CCOC[C@@H]1CNC(=O)C#CC(C)C 1061565880 ASFHDFYHLTUWRU-ZDUSSCGKSA-N 323.393 -0.484 30 20 DBED Cn1nncc1C(=O)NC[C@H]1CCN(c2cnc(C#N)cn2)C1 1061592906 SZRVXTZSABLRBL-SNVBAGLBSA-N 312.337 -0.267 30 20 DBED CC(C)N(C)CC(=O)N1CCOC[C@@H]1CNC(=O)[C@H](C)C#N 1061852505 JBVNGPUUCDUYGM-OLZOCXBDSA-N 310.398 -0.170 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)[C@@H]2CCNC(=O)C2)CCC1 1062794540 JVQVWAKVOUXHMT-GHMZBOCLSA-N 306.366 -0.173 30 20 DBED C#Cc1ccccc1CC(=O)NCC1(NC(=O)C(N)=O)CCC1 1063862340 PTEQYAHIXOTBFI-UHFFFAOYSA-N 313.357 -0.149 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)C(=O)NCC(F)F)CCC1 1064309178 STVVULDVVOYVRS-MRVPVSSYSA-N 316.308 -0.318 30 20 DBED C[C@]1(NC(=O)[C@H]2COC(=O)N2)CCN(c2ccnc(C#N)n2)C1 1065251160 RHRHZNDLRGSXJB-OTYXRUKQSA-N 316.321 -0.458 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@H](CNC(=O)CCc2nc[nH]n2)C1 1065557823 VSYMNZNAFQSXJK-GHMZBOCLSA-N 320.353 -0.759 30 20 DBED CN(C(=O)[C@@H]1CCOC1)[C@H]1CN(c2ccncc2C#N)C[C@@H]1O 1065572982 CFRBUYFDSAQTDK-UGFHNGPFSA-N 316.361 -0.002 30 20 DBED Cc1cc(C#N)nc(N2CC[C@@H]3[C@@H]2CCCN3C(=O)C(N)=O)n1 1066183380 PFCXXKIWOIBLQT-NWDGAFQWSA-N 314.349 -0.288 30 20 DBED C[C@H]1CN(C(=O)Cc2nc[nH]n2)C[C@H]1Nc1nccnc1C#N 1067144488 KBFZNODDULEQIW-GXSJLCMTSA-N 312.337 -0.032 30 20 DBED C#CCOCCC(=O)N[C@H]1COC2(C1)CN(C(=O)CCOC)C2 1068868428 OCSXPZVPZOCMJR-CYBMUJFWSA-N 324.377 -0.451 30 20 DBED CC(C)C#CC(=O)NC1(CNC(=O)c2cnn[nH]2)CCOCC1 1070108745 NMRNRZFUSXOLNN-UHFFFAOYSA-N 319.365 -0.141 30 20 DBED C=CCCC(=O)NCC1(NC(=O)[C@H]2CCNC2=O)CCOCC1 1070185680 FAPIXKNUQGENCL-LBPRGKRZSA-N 323.393 -0.130 30 20 DBED C#CCN1Cc2cnn(C3CCN(C(=O)CC(N)=O)CC3)c2C1 1070344263 FCPPZCIEPYRKGV-UHFFFAOYSA-N 315.377 -0.129 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)[C@@H]4CCN(C)C4)C[C@@]3(C1)O2 1070888896 HHTRDAZIHHLYJT-JYYAWHABSA-N 303.406 -0.127 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)c2cncnc2O)CC1 1070973023 YUKNWAXMPPGFGN-UHFFFAOYSA-N 319.365 -0.368 30 20 DBED C=CCCN1CCN([C@@H]2CCCN(C(=O)C(N)=O)C2)C(=O)C1 1071272594 RVZLRBUIOBTVSF-GFCCVEGCSA-N 308.382 -0.817 30 20 DBED C#CCCCCC(=O)N1C[C@H](C)[C@H](NC(=O)CNC(N)=O)C1 1071922400 SWOYSRKMFMQIMV-NWDGAFQWSA-N 308.382 -0.189 30 20 DBED C=C[C@@H](CC)CC(=O)N1CC(N2CCN(C(=O)C(N)=O)CC2)C1 1073596032 BRSIYASDEUTQDX-LBPRGKRZSA-N 322.409 -0.571 30 20 DBED C=CCCOCC(=O)N1CC[C@H](NC(=O)CC(N)=O)[C@@H](C)C1 1073845603 FGJPQJGIKOUSLU-RYUDHWBXSA-N 311.382 -0.192 30 20 DBED N#CCN1CCO[C@@H]2CCN(C(=O)Cc3cncnc3)C[C@H]21 1074226230 MFNQQMSFZAOKAV-ZIAGYGMSSA-N 301.350 -0.156 30 20 DBED C=CCOCC(=O)N1CC[C@@H](NC(=O)Cc2nc[nH]n2)[C@H](C)C1 1074257682 NLHBVRCAETUDKU-VXGBXAGGSA-N 321.381 -0.097 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)CCN3CCCC3=O)C[C@@H]21 1074402580 IOUNQFKIELDKPX-GJZGRUSLSA-N 319.405 -0.066 30 20 DBED N#CCN1CCO[C@@H]2CCN(C(=O)CCN3CCCC3=O)C[C@@H]21 1074403613 YPMQAMKGOBCYSZ-UONOGXRCSA-N 320.393 -0.176 30 20 DBED C#CCCCC(=O)NCC1(O)CCN(C(=O)CC(=O)NC)CC1 1074560263 SQKIDYDEBSCAKP-UHFFFAOYSA-N 323.393 -0.604 30 20 DBED C#CCOCCC(=O)NCC[C@H](C)NC(=O)c1cc(=O)n(C)o1 1076503938 DDUCANFNDSTGGR-NSHDSACASA-N 323.349 -0.357 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCCS2(=O)=O)C1 1077129097 SSDSPSCFBCNJRZ-UPJWGTAASA-N 316.423 -0.309 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2ccc3c(c2)CCC(=O)N3)C1 1077347789 JEDSBXVVFVARRZ-ZIAGYGMSSA-N 314.345 -0.130 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)C(=O)N2CCC[C@H](C)C2)C1 1077789875 NEKOZIYCRXDDNU-BFHYXJOUSA-N 309.410 -0.018 30 20 DBED C#CCN[C@@H]1C[C@H](NC(=O)CN2CCNC(=O)C2)C12CCC2 1078696270 UORULPAHLGHTEZ-OLZOCXBDSA-N 304.394 -0.932 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)[C@H]1CC12CC2 1078730246 QEIHUFPFYQXASR-NWDGAFQWSA-N 305.378 -0.063 30 20 DBED C[C@H](C#N)C(=O)N1CCN(CCCCCNC(=O)C(N)=O)CC1 1079164719 PAIAFIDVIYVOTM-GFCCVEGCSA-N 323.397 -0.938 30 20 DBED CCN(C(=O)C#CC(C)C)C1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 1079731133 GYRAQUTZSDIIQB-OLZOCXBDSA-N 305.378 -0.174 30 20 DBED CCN(C(=O)C#CC(C)(C)C)C1CN(C(=O)Cn2cnnn2)C1 1079742549 BHACYIXMUOGGGE-UHFFFAOYSA-N 318.381 -0.218 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@@H]1CCc2nnc(O)n2C1 1079984968 SBJSPGVQVDEBJO-GMTAPVOTSA-N 304.354 -0.494 30 20 DBED C#CCNC(=O)CC(=O)N1CCC(CO)(NC(=O)C2CC2)CC1 1080661074 FXPBSGWMBCPKSZ-UHFFFAOYSA-N 321.377 -0.994 30 20 DBED COC[C@@H](C)C(=O)NC1(CO)CCN(C(=O)[C@H](C)C#N)CC1 1080772522 YNVZUMJENBUFTC-VXGBXAGGSA-N 311.382 -0.102 30 20 DBED C=C(Cl)CN1C[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)[C@H](C)C1 1080959749 PLUALHMRVWLXBN-DVVUODLYSA-N 321.830 -0.133 30 20 DBED C#CCCCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)CNC(C)=O)C1 1081204092 DVNDYABFAVVYQV-ZIAGYGMSSA-N 323.393 -0.748 30 20 DBED C=CCOCC(=O)N1C[C@H](CNC(=O)Cn2cccn2)[C@@H](O)C1 1081253801 KRXNJAPJMFYYCE-STQMWFEESA-N 322.365 -0.979 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2cnccn2)C[C@H]1O 1081343886 JDXVFAFZZXESAJ-WCQYABFASA-N 320.349 -0.772 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2nnn(C)c2C)C1 1081362203 GGOVDGIGNBCPNZ-NEPJUHHUSA-N 321.381 -0.361 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)CC(C)(C)O)C[C@H]1O 1081462555 BRPKDSROGNNWSU-CHWSQXEVSA-N 310.394 -0.258 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(C(=O)Cc2ccc[nH]2)C[C@@H]1O 1081475152 XRFHIASGSSBIEJ-ZFWWWQNUSA-N 315.373 -0.094 30 20 DBED CC(C)n1cc(C(=O)N2CCO[C@@H]3CN(CC#N)C[C@@H]32)nn1 1083235850 YHLHBHSNDXMMBG-QWHCGFSZSA-N 304.354 -0.092 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CCC(=O)N(C)C1 1083285177 IJASFTAVVFLVKD-MELADBBJSA-N 305.378 -0.600 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2cccn(CC(C)C)c2=O)C1 1083835488 FBDZGZMACZMCPI-CABCVRRESA-N 317.389 -0.088 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)c2cnc(OCC)cn2)C1 1084123991 FHBJWMQTEPIHPR-OLZOCXBDSA-N 304.350 -0.327 30 20 DBED C=CCCN1CC[C@@H]2CN(C(=O)Cn3nc(C)n(C)c3=O)[C@@H]2C1 1084805692 ADQINKAQTBVEET-ZIAGYGMSSA-N 319.409 -0.001 30 20 DBED C#CCN[C@@H]1CN(C(=O)Cc2cnc[nH]2)C[C@H]1c1cnn(C)c1 1086999790 VZZGSFMRYPOKHU-LSDHHAIUSA-N 312.377 -0.097 30 20 DBED C#CCN[C@@H]1CCCCCN(C(=O)Cn2ncn(C)c2=O)C1 1088338693 MDLZWDVMXYEUKL-CYBMUJFWSA-N 305.382 -0.424 30 20 DBED N#Cc1cnc(N2CCCO[C@H](CNC(=O)C(N)=O)C2)c(F)c1 1089556810 MDBGDJYTCKAHKD-SNVBAGLBSA-N 321.312 -0.711 30 20 DBED CCN(c1nc(C)cc(C#N)n1)[C@H](C)CNC(=O)CC(N)=O 1089617414 BQBVRGDSZKAXTE-SNVBAGLBSA-N 304.354 -0.137 30 20 DBED C=C(C)CCN1CC[C@@H](NC(=O)Cn2cnnc2O)[C@@H](O)C1 1090198135 VJBVOJBIIYWODF-NEPJUHHUSA-N 309.370 -0.499 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2cnn3ccncc23)[C@H](O)C1 1090328092 XYYQHMZQYLXLSZ-DGCLKSJQSA-N 300.322 -0.582 30 20 DBED C=CCN1CC[C@@H](NC(=O)c2ccn(CCOC)n2)[C@@H](O)C1 1090423993 VMEWSUIKZZBRDA-OCCSQVGLSA-N 308.382 -0.120 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2ccc(C(N)=O)[nH]2)[C@H](O)C1 1090571228 BAMAGZZNQSWPOJ-ZWNOBZJWSA-N 304.350 -0.698 30 20 DBED C[C@@]12CN(CC#N)C[C@@H]1CN(C(=O)CN1CCC(=O)NC1=O)C2 1092177512 DGTAOGKWVLYPPF-ABAIWWIYSA-N 319.365 -0.768 30 20 DBED C#CCCN1C[C@@H]2CN(C(=O)CN3C(=O)CNC3=O)C[C@]2(C)C1 1092260222 PIQIDAHSFLPVMR-WBMJQRKESA-N 318.377 -0.658 30 20 DBED N#Cc1cnc(NCCNC(=O)c2ccc3nnc(O)n3c2)cn1 1093727732 SMIIQFKRRDJYNM-UHFFFAOYSA-N 324.304 -0.062 30 20 DBED N#Cc1ccc(NCCNC(=O)c2nc3ncccn3n2)nn1 1093814890 HRXQIDHRDWZRLJ-UHFFFAOYSA-N 309.293 -0.372 30 20 DBED C#CCCN1CC(N2C[C@H](NC(=O)c3cnn(C)c3)CC2=O)C1 1094702914 HJFSVBFUERGDNJ-CYBMUJFWSA-N 315.377 -0.542 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)c3cnc(C)[nH]3)CC2=O)C1 1094714747 BENAZPZPQBGBHO-LLVKDONJSA-N 301.350 -0.634 30 20 DBED CN(CCCNC(=O)C1(C(N)=O)CC1)c1cnc(C#N)cn1 1095718226 MMDWCTMIXVUIAX-UHFFFAOYSA-N 302.338 -0.444 30 20 DBED CCOCC(=O)NCCN1CCN(c2ccc(C#N)nn2)CC1 1096262695 LNOIXVLTDVGMLF-UHFFFAOYSA-N 318.381 -0.377 30 20 DBED Cc1cc(C#N)nc(N[C@H]2CCN(C(=O)CCNC(N)=O)C2)n1 1096938258 PTJYSXJLCJWVFG-JTQLQIEISA-N 317.353 -0.272 30 20 DBED C#CCN(CCO)C1CCN(C(=O)C[C@H]2CCC(=O)NC2)CC1 1098391894 JLIGDNJPVGXKKR-CQSZACIVSA-N 321.421 -0.179 30 20 DBED C[C@H](CNC(=O)c1nnc(O)nc1O)Nc1ccc(C#N)nn1 1098435650 QUBCFCWUSCIXQA-ZCFIWIBFSA-N 316.281 -0.825 30 20 DBED C#CCNCc1cn([C@@H]2CCN(C(=O)c3nc[nH]n3)C2)nn1 1098750910 DRRRMVXUXCYZJX-LLVKDONJSA-N 300.326 -0.794 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)COC(C)C)[C@@H](O)C1 1099725772 YWGACIBWRCBTDV-STQMWFEESA-N 313.398 -0.735 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(Cc2nc(CC)no2)C[C@@H]1O 1099738118 JADMTOXJVYGYCT-NEPJUHHUSA-N 324.381 -0.114 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)CCC2CCC2)[C@H](O)C1 1099776475 SNRADBRVPBTICM-LSDHHAIUSA-N 321.421 -0.133 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2c(C)ncn2C)[C@@H](O)C1 1099885618 POGVCOYVLPQDKB-KBPBESRZSA-N 320.393 -0.457 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CCc2cnccn2)[C@H](O)C1 1100066240 FDWROVCRGWAQLW-HUUCEWRRSA-N 302.378 -0.016 30 20 DBED C#CCNC(=O)CC(=O)NCC1CC(NCc2n[nH]c(C)n2)C1 1100262855 KHIUHFYREZGCCZ-UHFFFAOYSA-N 318.381 -0.763 30 20 DBED CCN(CCNC(=O)Cn1ncnn1)c1ccc(C#N)c(C)n1 1100625233 WOVCGNIJYPXUBY-UHFFFAOYSA-N 314.353 -0.109 30 20 DBED N#Cc1cnc(N2CCC[C@@H]2CNC(=O)Cn2cncn2)cn1 1100833536 VBTRNCGBYWOVOY-GFCCVEGCSA-N 312.337 -0.275 30 20 DBED C=CCO[C@H](C)C(=O)NCC1CC(NCc2nc(=O)n(C)[nH]2)C1 1101057079 HEGFSWHZCTVDPV-VOMCLLRMSA-N 323.397 -0.316 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H](C)[C@H](CNC(=O)c2nc[nH]n2)C1 1102473427 YTESTYDEJLZJBG-GRYCIOLGSA-N 320.397 -0.207 30 20 DBED C[C@H](CNC(=O)[C@H]1CNC(=O)N1)CNc1cncc(C#N)n1 1104184379 XQDADLWHYSKRRU-WCBMZHEXSA-N 303.326 -0.806 30 20 DBED Cc1ccc(C#N)c(N2CCO[C@@H](CNC(=O)CC(N)=O)C2)n1 1104305878 YXUSQYIDYXYAPM-LBPRGKRZSA-N 317.349 -0.542 30 20 DBED CNC(=O)NCC(=O)N(C)[C@@H](C)CN=c1cc[nH]cc1C#N 1104856485 UAQSXZXXYUJZNU-JTQLQIEISA-N 304.354 -0.437 30 20 DBED COCCOCC(=O)NC[C@H](N=c1cc[nH]c(C#N)n1)C(C)C 1105140190 WPPRTRIDDABJQR-LBPRGKRZSA-N 321.381 -0.014 30 20 DBED CN(CCN(C)c1cnc(C#N)cn1)C(=O)C(C)(C)C(N)=O 1105490591 VWHMHEMJPCFRIY-UHFFFAOYSA-N 304.354 -0.246 30 20 DBED N#Cc1nc(=NC[C@H](O)CNC(=O)Cc2ccsc2)cc[nH]1 1105713291 YKGRRFWRNIGDIB-NSHDSACASA-N 317.374 -0.037 30 20 DBED CN1CCC[C@H]1C(=O)NC[C@H](O)CNc1nccnc1C#N 1105755208 KMNWJIJODQILPR-PWSUYJOCSA-N 304.354 -0.669 30 20 DBED Cc1ccncc1C(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1 1105769576 NMXFITULJQUKFN-NSHDSACASA-N 312.333 -0.324 30 20 DBED CN1CCC(C(=O)NC[C@H](O)CNc2ccc(C#N)nn2)CC1 1105881947 BSGHRSGWVVIVQV-CYBMUJFWSA-N 318.381 -0.421 30 20 DBED COCCO[C@@H](C)C(=O)NC[C@@H](O)CNc1cncc(C#N)n1 1105964180 YHRKTDXNIQMNKW-JQWIXIFHSA-N 323.353 -0.711 30 20 DBED C[C@H]1CCCN1CC(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1 1106109161 VHAZHUNNJJWMPT-NWDGAFQWSA-N 318.381 -0.857 30 20 DBED CC#CCN1CCO[C@@](C)(CNC(=O)c2nnc(O)nc2O)C1 1108051893 RBIVYZBDTKPZLK-AWEZNQCLSA-N 321.337 -0.873 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)c2ccc(C(N)=O)o2)C1 1108062682 HOYPASRWDWUCGZ-HNNXBMFYSA-N 305.334 -0.168 30 20 DBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H]1CCCO1 1108887207 DZRNMBZGWONXHT-MROQNXINSA-N 306.366 -0.473 30 20 DBED CC(C)(C(N)=O)C(=O)N[C@@H](CN=c1cc[nH]c(C#N)n1)C1CC1 1109919273 LORMPFZUPPHBTO-JTQLQIEISA-N 316.365 -0.412 30 20 DBED N#Cc1nccc(N2CC[C@](O)(CNC(=O)c3cn[nH]c3)C2)n1 1111051213 YXOICBNSZZVZNY-AWEZNQCLSA-N 313.321 -0.557 30 20 DBED COCC(=O)N[C@@H](C)C(=O)N1C[C@@H]2CCC[C@]2(CNCC#N)C1 1112367117 YSIRSHKMUCYGLT-XEZPLFJOSA-N 322.409 -0.121 30 20 DBED C[C@H]1CN(c2ccncc2C#N)CC[C@@H]1NC(=O)CNC(N)=O 1112392471 HGWIJJPZXRLERM-JQWIXIFHSA-N 316.365 -0.047 30 20 DBED COCCC(=O)NC[C@H]1CN(c2ccc(C#N)nc2)C[C@@H]1O 1112689165 JLKIFDQTXHYJEK-FZMZJTMJSA-N 304.350 -0.097 30 20 DBED CNC(=O)CC(=O)NC1CC(CN=c2cc[nH]c(C#N)n2)C1 1112830377 LUHCVEZBUAJKPP-UHFFFAOYSA-N 302.338 -0.787 30 20 DBED C#CCO[C@H](C)C(=O)N1CCN(Cc2cn(CC)nn2)CC1 1112846591 SRMGBAJFVRLMFC-CYBMUJFWSA-N 305.382 -0.020 30 20 DBED C[C@H](NC(=O)CN1CCOCC1)[C@@H](C)Nc1nccnc1C#N 1112970899 JLFPHZWYVIILMP-NWDGAFQWSA-N 318.381 -0.014 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H](C)N(C)c1cc(C)ncn1 1113567229 MWOSIRDLQWMXEL-GFCCVEGCSA-N 303.366 -0.135 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)c2ccn(C)n2)CC1 1113631803 MADPNLAAKMUFPC-LBPRGKRZSA-N 303.366 -0.684 30 20 DBED C=CCNC(=O)NC(=O)CN1C[C@H]2C(NC(=O)COCC)[C@@H]2C1 1113823533 XKNQTIHVBDOIOA-GHMZBOCLSA-N 324.381 -0.919 30 20 DBED C[C@H](CNC(=O)[C@@H]1CC(=O)N(C)C1)N(C)c1cnc(C#N)cn1 1113944289 ZBCLPTQIQLDHAO-GHMZBOCLSA-N 316.365 -0.233 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)c3ncoc3C)[C@@H]2C1 1113952744 JHXLMSUWVKPLLW-GHMZBOCLSA-N 304.350 -0.055 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)CC3OCCCO3)[C@H]2C1 1114181870 AMFVLIPUVAZMGL-ATCWAGBWSA-N 323.393 -0.512 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCCC)C[C@@H]21 1114271610 YDXNAKXYFMYXBB-CXTNEJHOSA-N 307.394 -0.403 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)C(C)(C)C(N)=O)[C@H]2C1 1114440764 WKDLXAHQBKFTJF-WYUUTHIRSA-N 322.409 -0.765 30 20 DBED CNC(=O)CC(=O)NC[C@H]1[C@@H]2CN(c3ccnc(C#N)n3)C[C@H]12 1114531120 WPMIXMSYZURHCD-RTCCRHLQSA-N 314.349 -0.717 30 20 DBED N#Cc1cnccc1N1C[C@@H]2C(CNC(=O)Cn3ncnn3)[C@H]2C1 1114575577 YWIWVODOUCHUBO-CHWSQXEVSA-N 324.348 -0.562 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)C[C@@H]3CCC(=O)N3)[C@H]2C1 1114966125 WZVQKOSNAFHDSB-PVTKRXDGSA-N 320.393 -0.996 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3cccnn3)[C@H]2C1 1115006117 ZDGSBWMSDLZOLQ-YABSGUDNSA-N 301.350 -0.561 30 20 DBED CC(C)N(C)CC(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1115302172 OKYJCAILJSBRFV-JYAVWHMHSA-N 307.398 -0.987 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)COC[C@@H]3CCCO3)[C@@H]2C1 1115354126 IYLIMSSZQSZTMC-RRFJBIMHSA-N 322.405 -0.122 30 20 DBED C#CCOCCNC(=O)C(=O)N[C@H]1CCO[C@@]2(CCOC2)C1 1117526181 LNNIAFXCWKSELO-WFASDCNBSA-N 310.350 -0.793 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N1CCN(c2ncccn2)CC1 1117580731 GCCBOMKDXHOLNZ-LBPRGKRZSA-N 319.365 -0.558 30 20 DBED CN(C)S(=O)(=O)N(CC#N)CCN1C[C@@H]2CC[C@H](C1)O2 1118035670 UDOBOBJNKZRFKY-TXEJJXNPSA-N 302.400 -0.518 30 20 DBED N#Cc1cc(F)ccc1NC(=O)C(=O)N1CCC(O)(CO)CC1 1118445333 GPLGEWBBNZMCJY-UHFFFAOYSA-N 321.308 -0.018 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)c2ccnc(O)c2)nn1 1121309971 CDESMGKTWHAXIA-NSHDSACASA-N 314.305 -0.348 30 20 DBED C=CCO[C@@H](C)C(=O)NC[C@H](CO)N=c1cc[nH]cc1C#N 1121748949 IPUKJBIPHZBOPX-WCQYABFASA-N 304.350 -0.145 30 20 DBED N#Cc1nc(=N[C@@H](CO)CNC(=O)Cc2cncs2)cc[nH]1 1122152683 KBJMHRNGUUXROA-SECBINFHSA-N 318.362 -0.642 30 20 DBED CN1C(=O)CN(CC(=O)[C@@H](C#N)C(=O)Nc2ccccn2)C1=O 1122427855 ONAUWKSEAHOTRI-SECBINFHSA-N 315.289 -0.377 30 20 DBED Cc1ccnn1CC(=O)NC[C@H](CO)Nc1cncc(C#N)n1 1122659179 HTHFTNRKARHRRY-GFCCVEGCSA-N 315.337 -0.558 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)[C@@H](C)NC(C)=O 1123081812 HBCOXLINVZJEEZ-GFCCVEGCSA-N 310.398 -0.583 30 20 DBED C[C@@H]1C[C@@H](N=c2cc[nH]cc2C#N)CN1C(=O)CCNC(N)=O 1123231792 NUHQFXSNYMQGGF-ZYHUDNBSSA-N 316.365 -0.165 30 20 DBED CC(=O)NCC(=O)N1C[C@@H](N=c2cc[nH]c(C#N)n2)C(C)(C)C1 1123896692 YKPDJTBQRAIUMG-LLVKDONJSA-N 316.365 -0.445 30 20 DBED CN(C[C@@H](O)CNc1cncc(C#N)n1)C(=O)Cn1ccnc1 1124399204 LSIZCHJBOGCDER-LBPRGKRZSA-N 315.337 -0.524 30 20 DBED Cc1nn[nH]c1C(=O)N(C)C[C@@H](O)CNc1nccnc1C#N 1124634135 XGJDMUMREPMFSR-VIFPVBQESA-N 316.325 -0.680 30 20 DBED CN(C[C@H](O)CNc1ccc(C#N)nc1)C(=O)[C@@H]1CCNC1=O 1124693743 IQBPYJDFXBSQSX-CHWSQXEVSA-N 317.349 -0.679 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)c2nnn(C)c2C)C1=O 1125175140 KTJAERSXKMIYLG-LLVKDONJSA-N 306.370 -0.770 30 20 DBED N#Cc1ccc(C(=O)NCCNC[C@H](O)Cn2cccn2)[nH]1 1125819117 SKSYFYLKVMWUND-LBPRGKRZSA-N 302.338 -0.537 30 20 DBED C#CCNC(=O)CC(=O)NCCN[C@H](C)C(=O)N1CCCCC1 1125998720 UFQAQOMCYJOXHU-CYBMUJFWSA-N 322.409 -0.767 30 20 DBED C#CCN1CCn2ncc(CNC(=O)[C@H](C)NC(C)=O)c2C1 1128178752 SXQCETVCFMMBFM-NSHDSACASA-N 303.366 -0.527 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)CNC(C)=O)CC[C@@H]1C 1131746174 APEHYPWTRBANBJ-AAEUAGOBSA-N 310.398 -0.606 30 20 DBED C=C[C@](C)(CCOC)C(=O)NCCN[C@@H](C)C(=O)NC(N)=O 1131869830 KCFBWNNSUPVUMR-IINYFYTJSA-N 314.386 -0.496 30 20 DBED C=CCNC(=O)CN1C[C@H](NC(=O)c2ncn(C)n2)CC[C@@H]1C 1132002972 OYBOXFITTSNJOD-NWDGAFQWSA-N 320.397 -0.300 30 20 DBED COCC#CCN1C[C@H](NC(=O)Cn2cncn2)CC[C@H]1C 1132464333 QZWXGMDXZFJHRF-ZIAGYGMSSA-N 305.382 -0.103 30 20 DBED Cn1nnc(C(=O)NCCNCc2cc(F)ccc2C#N)n1 1132523773 YIOOWUNAOKZFKQ-UHFFFAOYSA-N 303.301 -0.260 30 20 DBED C=C1CC(C)(C(=O)NCCNCc2nc(CC(=O)NC)no2)C1 1133565630 DXQINPQGJCITBK-UHFFFAOYSA-N 321.381 -0.080 30 20 DBED CCn1cc(C(=O)NCCNCC(=O)NCC#N)c(C(C)C)n1 1134480777 UCTJHUJWLRASRN-UHFFFAOYSA-N 320.397 -0.014 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)c1cncnc1O 1134726974 WQXXFWHJSZRLRP-QWRGUYRKSA-N 319.365 -0.582 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)NCCN[C@H]1CCN(CC)C1=O 1134816476 DLNUSLSIEVVZFS-UONOGXRCSA-N 324.425 -0.216 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)COc1cccnc1 1135352569 IBHGCIAEDKPCJB-GFCCVEGCSA-N 306.366 -0.143 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1cccc2ncnn12 1161907151 ISRTWEUTTIIMMO-UHFFFAOYSA-N 314.349 -0.812 30 20 DBED CC#CCN1CCC(CNC(=O)Cn2ncnn2)(COC)CC1 1162275258 IGDPLOLUSNDFNA-UHFFFAOYSA-N 320.397 -0.459 30 20 DBED Cn1nccc1[C@@H]1C[C@H]1C(=O)NCCCNCC(=O)NCC#N 1163020872 UBRFDABOGYSWCD-VXGBXAGGSA-N 318.381 -0.741 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)[C@H](C)OCCOC 1167552875 SWPAQUZBICFURN-OLZOCXBDSA-N 315.414 -0.176 30 20 DBED C#CCNC(=O)CNCCCC[C@@H](C)NC(=O)c1cnn[nH]1 1171652545 VSMCETNJUSBIMH-LLVKDONJSA-N 306.370 -0.568 30 20 DBED C[C@@H](CCCCNCC#N)NC(=O)CN1C(=O)C(=O)N(C)C1=O 1175558353 ZZBYXYPQLSSZOL-JTQLQIEISA-N 323.353 -0.805 30 20 DBED CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[C@H](NCC#N)[C@@H]1C 1178753539 NXEITUJWWWHUGH-DCAQKATOSA-N 302.400 -0.583 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)C23CCN(CC2)C3)[C@H]1C 1179929168 FXVHWLWJGFTFJS-KBPBESRZSA-N 320.437 -0.037 30 20 DBED CC(C)[C@H](NS(C)(=O)=O)C(=O)N1CC[C@@H](NCC#N)C1 1186193894 MKGHADGBOKKBBU-MNOVXSKESA-N 302.400 -0.726 30 20 DBED CCNC(=O)CCCC(=O)N1CC[C@@H](NCC(=O)NCC#N)C1 1187185018 RZANTTYTTWMPEI-GFCCVEGCSA-N 323.397 -0.877 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)Cc2[nH]cnc2C)C1 1187420376 KXYSKYXUFLEGJZ-CHWSQXEVSA-N 317.393 -0.411 30 20 DBED C#CCOCCC(=O)N1CC[C@H]2CN(Cc3cnnn3C)C[C@H]21 1187873605 ASOJQUSZJROCCU-DZGCQCFKSA-N 317.393 -0.112 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@@H]1CCN(C(=O)c2cocn2)C1 1189354074 MWJOEJWABRJCEM-VXGBXAGGSA-N 304.350 -0.041 30 20 DBED COCC#CCN(C)[C@H]1CCN(C(=O)[C@@H]2CN(C)C(=O)N2)C1 1191717835 BTVBOEQHLRQPPX-STQMWFEESA-N 308.382 -0.808 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(CCOCCOC)C[C@H]1O 1192530259 MBZGQQGBJGJGLE-UMVBOHGHSA-N 316.398 -0.862 30 20 DBED CN(CC#N)[C@H]1CCN(C(=O)CS(=O)(=O)NC(C)(C)C)C1 1194104221 NXLCDYUAEKNPPU-NSHDSACASA-N 316.427 -0.239 30 20 DBED N#CCNC(=O)CN1CCCN(C(=O)CC2OCCCO2)CC1 1195639226 DJTIAGZPCUCJRI-UHFFFAOYSA-N 324.381 -0.686 30 20 DBED C=CCCN1CCCN(C(=O)CNS(=O)(=O)NC)CC1 1196647863 CHWHTSWJAJSDPU-UHFFFAOYSA-N 304.416 -0.849 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)c2nccnc2N)CCCO1 1200143700 FWSUJKOLUJAMSP-GFCCVEGCSA-N 303.366 -0.097 30 20 DBED CCN1C[C@H](C(=O)N2CCCO[C@H](CNCC#N)C2)CC1=O 1200634197 BBXKSAYWETVAST-CHWSQXEVSA-N 308.382 -0.415 30 20 DBED C#CCNC[C@H]1CN(C(=O)C[C@H]2CCC(=O)NC2)CCCO1 1200673071 KQIWIAAYZFRUHD-KGLIPLIRSA-N 307.394 -0.257 30 20 DBED C=CCNC[C@@H]1CN(C(=O)CCN2C(=O)CCC2=O)CCCO1 1200910825 IVSVSMPQIMGCPG-CYBMUJFWSA-N 323.393 -0.081 30 20 DBED C#CCCN[C@@H]1C[C@H](NC(=O)Cn2ncn(C)c2=O)C12CCC2 1203095768 UCSXNMBTKLCWQW-OLZOCXBDSA-N 317.393 -0.378 30 20 DBED COCC#CCNCC1CCN(C(=O)[C@]2(C)CNC(=O)C2)CC1 1205744578 XQMVQTCLPMJTIG-KRWDZBQOSA-N 321.421 -0.009 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)C(C)(C)C(N)=O)[C@H](C)C1 1207643907 RMCYLDHAZIFVFE-IJLUTSLNSA-N 322.409 -0.928 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCCN(C(=O)c2ncn(C)n2)C1 1207983265 NFFPOTYTKUDDNE-NWDGAFQWSA-N 318.381 -0.853 30 20 DBED COC[C@H](C)CC(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1209895969 HSJXZXFKYZGBQU-JHJVBQTASA-N 310.398 -0.265 30 20 DBED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)CC(C)(C)C 1211867360 RTOQYSKPJPZPHY-VXGBXAGGSA-N 310.398 -0.122 30 20 DBED COc1cncc(CN2C[C@@H](NC(=O)[C@H](C)C#N)[C@H](OC)C2)n1 1212041112 FMWIIGTVLYDVLK-RAIGVLPGSA-N 319.365 -0.040 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@H](C)NC(=O)C(C)(C)C 1213246034 NIYYZBJSOPUWDG-QJPTWQEYSA-N 310.398 -0.124 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)Cc2ccc[nH]2)[C@H](OC)C1 1213892628 MJIGWAISUUXQRF-ZIAGYGMSSA-N 320.393 -0.325 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CCCOC)C[C@H]1C 1214217061 RFWFEESJEFIUSB-MGPQQGTHSA-N 309.410 -0.013 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)c2ncoc2C)C[C@H]1C 1214243038 CTVRZHMUDKTIDK-ZYHUDNBSSA-N 304.350 -0.217 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC2)C1 1220042667 JALVTPRUPJXWSN-WCVJEAGWSA-N 322.405 -0.387 30 20 DBED C[C@H](COCC(=O)N[C@@H]1CN(CC#N)C[C@@H]1O)N1CCCC1 1220377513 BEMGIHWJGKAQID-MCIONIFRSA-N 310.398 -0.828 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2cncc(OCCOC)c2)C1 1220653225 DGOGLYSYKIFAQP-CABCVRRESA-N 319.361 -0.485 30 20 DBED C=CCC[C@@H](C)N1C[C@H](O)[C@H](NC(=O)CS(=O)(=O)CC)C1 1221085309 HVLLQTJIMYESGC-UPJWGTAASA-N 318.439 -0.063 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)[C@H](O)C(C)C)[C@@H]2C1 1221519647 ADGAEGKHPFDMKH-UMVBOHGHSA-N 307.394 -0.715 30 20 DBED CCn1ccc(C(=O)NC2CCN(CC(=O)NCC#N)CC2)n1 1229461615 BSWUWIYFZMOVLH-UHFFFAOYSA-N 318.381 -0.263 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@H]1CN(C)C(=O)c1cnccn1 1230637746 JOVJEPYTYLZOTF-STQMWFEESA-N 315.377 -0.239 30 20 DBED C[C@H](OCC1CC1)C(=O)N(C)C[C@@H]1CCN1CC(=O)NCC#N 1231084824 GNKSOJYJGDKOCU-JSGCOSHPSA-N 322.409 -0.026 30 20 DBED CN(C[C@@H]1CCN1CC(=O)NCC#N)C(=O)c1cscn1 1231198482 QOCCQIMDVONLCG-JTQLQIEISA-N 307.379 -0.071 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)c1nccc(C)n1 1233989377 BXCCHVXDDJANEZ-ZDUSSCGKSA-N 315.377 -0.319 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCC(NC(=O)C2CC2)CC1 1323258977 DJMQNZRKSBIBRT-UHFFFAOYSA-N 321.377 -0.730 30 20 DBED CN1CC[C@H](N(C)C(=O)CCN/C(O)=C2\N=CC=CC2=O)C1=O 1324029236 KAQBWGZPARHKDH-NJERVBSYSA-N 320.349 -0.408 30 20 DBED COC(=O)Cn1ncc(NC(=O)C(=O)N[C@@H](C)CC#N)c1C 1325045840 MLWLRZSJSLHKCT-QMMMGPOBSA-N 307.310 -0.279 30 20 DBED C=CCNC(=O)CNC(=O)NCc1nc([C@@H]2CCCO2)n[nH]1 1326745342 WQNKBJSCCFGIIW-VIFPVBQESA-N 308.342 -0.242 30 20 DBED Cn1ncc2c1CCC[C@@H]2NC(=O)C(=O)N1CCO[C@H](C#N)C1 1327636923 RCCBTNCFIACUBK-PWSUYJOCSA-N 317.349 -0.335 30 20 DBED C=CCOCCNC(=O)C(=O)N1CCN(C(=O)N(C)C)CC1 1327926077 FJYGHEYEHVRPBZ-UHFFFAOYSA-N 312.370 -0.869 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3C[C@@]3(CO)C2)CCN1C1CC1 1329482311 DOEBFEVGQFUSTH-GHJWDPDVSA-N 318.377 -0.974 30 20 DBED C#CCCCCNC(=O)C(=O)NCC1(CS(C)(=O)=O)CC1 1329595732 BZPDXJVIGIJPIK-UHFFFAOYSA-N 314.407 -0.153 30 20 DBED C=CC[C@H](CC)NC(=O)C(=O)N[C@H]1CS(=O)(=O)C[C@@H]1OC 1330482253 QXIHCCORMCBOMI-DCAQKATOSA-N 318.395 -0.615 30 20 DBED C#CCN1CCC[C@H](NC(=O)N2CCO[C@H](C(=O)NC)C2)C1 1330933212 CGEDUGFGISDUCB-STQMWFEESA-N 308.382 -0.760 30 20 DBED CCN(CC)C(=O)CNC(=O)C(=O)NC1CCN(CC#N)CC1 1332443900 DKOFBRREKIVKNX-UHFFFAOYSA-N 323.397 -0.925 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCc2c(ncn2CC)C1 1333308752 PJLGSDDOTYLPPS-UHFFFAOYSA-N 304.350 -0.446 30 20 DBED O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCOC[C@@H]1C(=O)O 1333658897 RTURGRIISKALKD-TWLKNAOBSA-N 323.305 -0.785 30 20 DBED C=CCn1c(N2CCNC(=O)C2)nnc1C1(C#N)CCOCC1 1340757063 QDLGRSUXUNLDRO-UHFFFAOYSA-N 316.365 -0.028 30 20 DBED N#CCN1CCC(NC(=O)C(=O)NCc2ccc(F)cn2)CC1 1346167380 FSKYRJXUXJQINC-UHFFFAOYSA-N 319.340 -0.059 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H]1CCN(c2cc(=O)n(C)c(O)n2)C1 1353141686 HIHCYAHIKORTKQ-QWRGUYRKSA-N 320.349 -0.781 30 20 DBED COCCn1cc(C(=O)N2CCC(C#N)(C(=O)OC)CC2)nn1 1361546032 QLXCOPYTMTVCBG-UHFFFAOYSA-N 321.337 -0.157 30 20 DBED N#Cc1cn(CCC(=O)N[C@@H](CO)C2CCCC2)c(=O)nc1O 1362979757 NXSMPPTYQCZNLC-LBPRGKRZSA-N 320.349 -0.122 30 20 DBED COc1ncc(NC(=O)N(C)CCS(N)(=O)=O)cc1C#N 1365531318 SZSKDZWGLHOCAQ-UHFFFAOYSA-N 313.339 -0.286 30 20 DBED CCn1cc(C(=O)N(C)C[C@H](O)CNC(=O)[C@@H](C)C#N)c(C)n1 1371012207 ZPLXJIUXHFMRIL-CMPLNLGQSA-N 321.381 -0.080 30 20 DBED C[C@@H](C#N)C(=O)NCC1CN(C(=O)C(C)(C)N2CCOCC2)C1 1374898681 VMOMGNWCTFROKD-LBPRGKRZSA-N 322.409 -0.169 30 20 DBED C[C@H](CN(C)C(=O)c1cc(C#N)c[nH]1)NC(=O)[C@@H]1COCCO1 1395556397 XTELUIWROMWACT-MFKMUULPSA-N 320.349 -0.122 30 20 DBED C=C(Cl)CN1CCOC[C@H]1CNC(=O)CS(C)(=O)=O 1407742747 OZQZQQHENXMPFC-SNVBAGLBSA-N 310.803 -0.400 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@@H](O)CNC(=O)[C@@H]2CC23CC3)c1 1410101531 VSPWVXAUIBIQKD-QWRGUYRKSA-N 302.334 -0.107 30 20 DBED CCN1CCOC[C@H]1C(=O)N(CCNC(=O)[C@@H](C)C#N)C1CC1 1415883571 RDWDTUQJUVPSSD-JSGCOSHPSA-N 322.409 -0.026 30 20 DBED Cc1ccc(CCNS(=O)(=O)N2CCO[C@H](C#N)C2)nc1 1424186630 MOKKHQMSOJOZRA-CYBMUJFWSA-N 310.379 -0.009 30 20 DBED COCCN(CCNC(=O)c1cnn(C)n1)C(=O)[C@@H](C)C#N 1428413429 ZXYWCYCGMAUJNC-JTQLQIEISA-N 308.342 -0.820 30 20 DBED N#Cc1ncn(CC(=O)N2CCC(O[C@H]3CCOC3)CC2)n1 1434066134 FWSVJQJVPXRQNN-LBPRGKRZSA-N 305.338 -0.054 30 20 DBED C=C(Cl)CNC[C@@H](O)CN(C)C(=O)c1ccn2nnnc2c1 1441977358 BGFXZYMJCQLQRY-LLVKDONJSA-N 324.772 -0.101 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C)[C@@H](C)C(=O)NC(=O)NC1CC1 1442377452 KUZVGUHBQIHFKS-UWVGGRQHSA-N 309.370 -0.429 30 20 DBED N#CC[C@]1(O)CCN(C(=O)c2ccsc2S(N)(=O)=O)C1 1469407073 ZVIAVODLXSCALY-NSHDSACASA-N 315.376 -0.114 30 20 DBED CC(C)C#CC(=O)N1CC[C@H](NC(=O)CS(C)(=O)=O)[C@H]1C 1490080398 ZTXUCBUDTYPHBL-NEPJUHHUSA-N 314.407 -0.204 30 20 DBED N#CCNC(=O)CN1CCC[C@H](NC(=O)c2ncccn2)C1 1494325761 GSZNVVYWTZHELV-NSHDSACASA-N 302.338 -0.689 30 20 DBED C[C@H](C#N)C(=O)NC1CC(N(C)C(=O)CN2CCOCC2)C1 1511937217 ZKYBRWDPOMHUQQ-PNESKVBLSA-N 308.382 -0.416 30 20 DBED C=CCn1c(C[C@H](C)O)nnc1N1CCN2CCOC[C@H]2C1 1520350375 PDFZVSOIMYJRRX-QWHCGFSZSA-N 307.398 -0.092 30 20 DBED CC#CCNC[C@@H](O)CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 1573358820 REISSEXDUPPGNF-LLVKDONJSA-N 317.353 -0.759 30 20 DBED C=CCOC[C@H](NC(=O)c1cc(C(=O)O)nn1C)C(=O)OC 1573368205 BXYHGRZJTMDRSJ-VIFPVBQESA-N 311.294 -0.408 30 20 DBED C[C@@H](C#N)C(=O)NCC1(Nc2cnc(-c3nn[nH]n3)cn2)CC1 1573577626 RQLRQJNMYPFQTQ-QMMMGPOBSA-N 313.325 -0.123 30 20 DBED CC#CC[C@H](N)C(=O)N1CCN(C(=O)N2CCOCC2)CC1 1574962205 HJPPEMSGKKZYRJ-ZDUSSCGKSA-N 308.382 -0.677 30 20 DBED N#CCC1(CS(=O)(=O)N2CC[C@@H](N3CCNCC3)C2)CC1 1580047609 MLZRRRXROWNLRD-CYBMUJFWSA-N 312.439 -0.010 30 20 DBED C=C[C@](C)(O)C(=O)NCCNc1ccc(-c2nn[nH]n2)cn1 1588499934 PHMGXDRPYVAKFM-ZDUSSCGKSA-N 303.326 -0.273 30 20 DBED C=CCn1cc(C(=O)OCC(=O)N[C@H](C(=O)O)C(C)C)nn1 1588909157 MIKOMVOWQULDQA-NSHDSACASA-N 310.310 -0.154 30 20 DBED CN(Cc1nnc2c(=O)[nH]ccn12)C(=O)c1ccc(C#N)n1C 1593653289 WZVJFCXDVHFSPV-UHFFFAOYSA-N 311.305 -0.100 30 20 DBED CN1C[C@H](C(=O)O)N(C(=O)c2ccc(C#N)c(O)c2)CC1=O 1598563119 PZHDYZCHFAZRCT-SNVBAGLBSA-N 303.274 -0.369 30 20 DBED N#Cc1ccc(C(F)(F)F)n(CC(=O)NCC(=O)O)c1=O 1601095363 OQKQLLIOOQXOAR-UHFFFAOYSA-N 303.196 -0.060 30 20 DBED C#CC[C@H](NCc1nccn1S(=O)(=O)N(C)C)C(=O)O 1602693893 BWHORHRXUFCBMO-VIFPVBQESA-N 300.340 -0.896 30 20 DBED C=CCOCC(=O)NC[C@@H](C)Nc1ccc(-c2nn[nH]n2)nn1 1602867984 GKSWFYFIMZRMRT-SECBINFHSA-N 318.341 -0.224 30 20 DBED C=CCOC[C@@H](NC(=O)[C@H]1CC(=O)N(CCOC)C1)C(=O)O 1602910194 QKRKGMWNHKBOOC-WDEREUQCSA-N 314.338 -0.747 30 20 DBED C#CCNC(=O)CN(C)CCCNC(=O)c1cn(C)nc1CC 1751999824 RLUCSNPDWOXHPP-UHFFFAOYSA-N 319.409 -0.216 30 20 DBED C=CCNC(=O)CNC[C@@H](C)N(C)C(=O)C[C@H]1CCC(=O)N1 1753715670 BPEIQHYSAJXSMW-VXGBXAGGSA-N 310.398 -0.606 30 20 DBED CNC(=O)NCCC(=O)NC[C@@H]1CN(CC#N)CCC1(F)F 1754744220 WRHSLFWPIPSCJR-SNVBAGLBSA-N 317.340 -0.098 30 20 DBED CC#CCNC[C@H]1CN(C(=O)CCNS(C)(=O)=O)C[C@@H]1C 1754819978 ZSOKREIYMBAAEG-STQMWFEESA-N 315.439 -0.367 30 20 DBED C=CCOCCN1CC[C@H]2[C@H]1CCCN2C(=O)Cn1ncnn1 1754865285 JLMQZZCBEGRCDW-KGLIPLIRSA-N 320.397 -0.059 30 20 DBED C=CCCC(=O)N1CCO[C@H](CNCCNS(C)(=O)=O)C1 1754997698 XPNJOOKTECBZPS-GFCCVEGCSA-N 319.427 -0.681 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC[C@](CO)(NCc2cnon2)C1 1755083120 KBIQKTLKOVBNIG-WFASDCNBSA-N 322.365 -0.449 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](CNC(=O)[C@H](C)OCC#C)[C@H]2C1 1755422400 CLTVESMRZXJREU-ZQDZILKHSA-N 317.389 -0.932 30 20 DBED C=CCNC(=O)[C@H](C)NC[C@H](O)CN(C)C(=O)c1nc(C)c[nH]1 1755790929 FKNZFGIZPHJBEW-RYUDHWBXSA-N 323.397 -0.569 30 20 DBED Cc1nn[nH]c1C(=O)NCCCOCCNC(=O)[C@@H](C)C#N 1756401615 MUEXZYGKCKBFJW-VIFPVBQESA-N 308.342 -0.475 30 20 DBED C=CCCC(=O)N[C@H](C)CN(C)C(=O)CN1CCN(C)C(=O)C1 1756471810 BJBZVWQWICNQJF-CYBMUJFWSA-N 324.425 -0.310 30 20 DBED C=CCOCC(=O)N1C[C@H](NC(=O)CN2CCCC2=O)C[C@@H]1C 1756583807 QCMXTNWTYIYPGO-QWHCGFSZSA-N 323.393 -0.083 30 20 DBED C#CCOCCC(=O)N1C[C@@H](NC(=O)c2nc[nH]n2)C[C@H]1C 1756590642 UIGUZRRKGUDLHG-MNOVXSKESA-N 305.338 -0.436 30 20 DBED CN(C(=O)c1cnn(C)n1)C1CC(NC(=O)CSCC#N)C1 1756744736 QFVJCZKVHDJECV-UHFFFAOYSA-N 322.394 -0.209 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@H](NC(=O)Cc2ccn(C)n2)C1 1757171841 KBJWMVDJTFFCOZ-KGLIPLIRSA-N 318.377 -0.690 30 20 DBED C=C(C)CCC(=O)N[C@@H]1CN(C(=O)COCCOC)C[C@@H]1O 1757179205 IRPBUDHQZPSJSF-OLZOCXBDSA-N 314.382 -0.306 30 20 DBED Cn1c(N2CCN(S(C)(=O)=O)CC2)nnc1C(C)(C)C#N 1772151172 PSWQKOMCMRUUND-UHFFFAOYSA-N 312.399 -0.302 30 20 DBED C#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)CN)CCO2 1785423505 XDHMSLWNUNAZDV-XJKSGUPXSA-N 307.394 -0.176 30 20 DBED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)NC=O 1799294547 HBEZQOFRRZLESR-GUIRCDHDSA-N 321.377 -0.876 30 20 DBED CCN(C)[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC#N)C2 1800159500 KBBCUPQFJPMVBV-XPCVCDNBSA-N 322.409 -0.170 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)OC(C)C)c1=O 60892051 GRSCKLIUNMTBHE-UHFFFAOYSA-N 309.322 -0.505 30 20 DBED N#Cc1cc(S(=O)(=O)NCC(=O)NCC(=O)O)ccc1F 71140210 DAXYMYKKVJGSLG-UHFFFAOYSA-N 315.282 -0.824 30 20 DBED N#C[C@H]1CN(C(=O)Cn2cnnn2)CCN1Cc1ccccc1 74681914 SCARMNJITYMQMX-AWEZNQCLSA-N 311.349 -0.090 30 20 DBED N#Cc1nc(NC(=O)CCn2nc3ccccn3c2=O)[nH]c1C#N 111561953 AESPKAICNPIXMW-UHFFFAOYSA-N 322.288 -0.009 30 20 DBED N#Cc1ccc(S(=O)(=O)N2C[C@@H](O)[C@H](O)C2)cc1Cl 236531613 AYCPXAIFAUPZGA-GHMZBOCLSA-N 302.739 -0.062 30 20 DBED C=CCNC(=O)CNC(=O)CCOc1ccc(C(N)=O)cc1 271979232 MDRASKLJWZQQNV-UHFFFAOYSA-N 305.334 -0.027 30 20 DBED C=CCCCCNC(=O)C(=O)NC1CCN(CC(=O)NC)CC1 283986062 HTEWWLQZAYEBNJ-UHFFFAOYSA-N 324.425 -0.215 30 20 DBED C=CCCCS(=O)(=O)NCCN1C[C@@H](C(=O)O)CC1=O 291808483 CJVLVTSEALHVFC-JTQLQIEISA-N 304.368 -0.195 30 20 DBED Cc1nc2n(n1)C[C@H](/N=C(/O)N1C[C@H]3COC[C@@H](C1)O3)CC2 328707686 QCXUYBVFYPEMTD-UTUOFQBUSA-N 307.354 -0.085 30 20 DBED CCN(CC)C(=O)[C@@H]1CCCN1/C(O)=N/Cc1nnn(C)n1 330313738 OVMGKYVVPGBWIQ-JTQLQIEISA-N 309.374 -0.043 30 20 DBED CCC1(CO)CCN(/C(O)=N/CCNS(C)(=O)=O)CC1 330527421 LDFANISDWBOHDL-UHFFFAOYSA-N 307.416 -0.066 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1C[C@@H](CO)OC[C@H]1C 336940586 JCHPDMXKASEODW-NEPJUHHUSA-N 321.399 -0.825 30 20 DBED COCCN(CCC#N)S(=O)(=O)NCC1([S@@](C)=O)CC1 337186575 DFACIHFDHWEZAF-LJQANCHMSA-N 323.440 -0.406 30 20 DBED COC(=O)COc1cccc(C(=O)NCC(=O)NCC#N)c1 343560791 XHKVLIOWECPRCS-UHFFFAOYSA-N 305.290 -0.392 30 20 DBED COC(=O)[C@H](NS(=O)(=O)c1ccc(C#N)s1)[C@H](C)O 435443528 QSDVZMXEXWGTIU-IMTBSYHQSA-N 304.349 -0.180 30 20 DBED CS(=O)(=O)c1ccc(OCCC(=O)NCC#CCO)cc1 568413991 XIUVMRAZASQMAL-UHFFFAOYSA-N 311.359 -0.029 30 20 DBED C=C(C)CS(=O)(=O)NC[C@@H]1CCC[C@]12NC(=O)NC2=O 577830121 YUVFYRGCJGWZRD-CABZTGNLSA-N 301.368 -0.140 30 20 DBED N#Cc1nc(=NCCCCN2CCN(CCO)CC2)cc[nH]1 583641714 ZNHBJWFGNDVGQZ-UHFFFAOYSA-N 304.398 -0.428 30 20 DBED Cn1cc(-c2ccc(NC(=O)NCC(=O)NCC#N)nn2)cn1 588297566 BDZBQAINXGFUFC-UHFFFAOYSA-N 314.309 -0.362 30 20 DBED CC#CC[C@@H](CO)NS(=O)(=O)c1scnc1C(=O)OC 592111015 DXMLKCJWTQUPOT-QMMMGPOBSA-N 318.376 -0.018 30 20 DBED CC(C)[C@H](NS(C)(=O)=O)C(=O)N1CC[C@@](O)(CC#N)C1 592842707 JZEROCXGGUCQSM-JQWIXIFHSA-N 303.384 -0.563 30 20 DBED C=CCCn1cc(C(=O)N2C[C@@H](O)C[C@H](C(=O)OC)C2)nn1 592924876 DCEBFGHQNPVEEB-QWRGUYRKSA-N 308.338 -0.150 30 20 DBED CC[C@H](C#N)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 593394459 IPCJQZHRDVVZLV-CYBMUJFWSA-N 308.382 -0.461 30 20 DBED CCN(CC(=O)N1CCN(CC(=O)N(C)C)CC1)[C@H](C)C#N 595812388 KEEAWFSGNFUVMM-CYBMUJFWSA-N 309.414 -0.547 30 20 DBED CCOc1ccc(N2CCN(CC(=O)NCC#N)CC2)nn1 595892977 STOZHYQVZZDBQP-UHFFFAOYSA-N 304.354 -0.363 30 20 DBED N#Cc1cc(F)ccc1NC(=O)C(=O)NCCN1CC[C@@H](O)C1 600070666 OTXUCUXNHYIJQC-GFCCVEGCSA-N 320.324 -0.181 30 20 DBED CCN(C(=O)CN1CC[C@@](F)(C#N)C1)[C@@H]1CCS(=O)(=O)C1 615646078 PVECFWFCGJPSOG-DGCLKSJQSA-N 317.386 -0.040 30 20 DBED CNC(=O)[C@@H]1CN(S(=O)(=O)c2cccc(CC#N)c2)CCO1 619496053 YFVOKXPMWYWGMX-ZDUSSCGKSA-N 323.374 -0.112 30 20 DBED C=CCN(CCc1ccco1)C(=O)C(=O)NC[C@@H]1COCCN1 627472074 GMGJWTZOJNWPKD-CYBMUJFWSA-N 321.377 -0.059 30 20 DBED CC#CC[C@@H](CO)NC(=O)NCCCN1CCC[C@H](C(N)=O)C1 645305026 KSQJZUTZACXBIA-KBPBESRZSA-N 324.425 -0.353 30 20 DBED C=C[C@](C)(O)C(=O)NCc1ccc(C(=O)NCC(N)=O)cc1 666569430 ZYDKTDMQEMCUBZ-HNNXBMFYSA-N 305.334 -0.545 30 20 DBED CS(=O)(=O)Nc1ccccc1C(=O)OCC(=O)NCC#N 731238348 XKZQATJDJACLFF-UHFFFAOYSA-N 311.319 -0.145 30 20 DBED Cc1nc2cc(O)nn2c(C)c1CC(=O)OCC(=O)NCC#N 731446700 CLAZQNAKKDOKEJ-UHFFFAOYSA-N 317.305 -0.223 30 20 DBED N#CCNC(=O)COC(=O)CN1CCN(c2ccccn2)CC1 741038097 XWAZABOKFKWVRN-UHFFFAOYSA-N 317.349 -0.613 30 20 DBED COCCCNC(=S)NN=C1CCN(S(C)(=O)=O)CC1 747628837 WERCXFHABIEVMH-UHFFFAOYSA-N 322.456 -0.102 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N1CCN(C)C(=O)[C@H]1C 777626201 QKSZJIOTHVAUAC-SNVBAGLBSA-N 303.384 -0.541 30 20 DBED CC#CCS(=O)(=O)NC(=O)c1ccc2c(c1)C(=O)N(C)C2=O 791107195 KDFVBNARKYLXHS-UHFFFAOYSA-N 320.326 -0.005 30 20 DBED CC[C@@](C)(C#N)C(=O)NCCS(=O)(=O)N1CCOCC1 795867129 KCJVLKLORJSCPR-LBPRGKRZSA-N 303.384 -0.296 30 20 DBED C#CCCCNC(=O)C(=O)N[C@H]1CCOC[C@@H]1OCCOC 806911083 IOHFIUVUJIULPV-STQMWFEESA-N 312.366 -0.547 30 20 DBED CC#CCS(=O)(=O)NC(=O)[C@H]1COCCN1CC(F)F 810775012 VPWMPZYPJGEQHX-SECBINFHSA-N 310.322 -0.578 30 20 DBED C#CC1CCN(C(=O)CNS(=O)(=O)CCCOC)CC1 814281045 OENZFQOQPTWOFJ-UHFFFAOYSA-N 302.396 -0.186 30 20 DBED C=CCS(=O)(=O)CCNS(=O)(=O)CC[C@H]1CCOC1 815032259 RDRAVWOOEPDRBD-LLVKDONJSA-N 311.425 -0.067 30 20 DBED COC[C@@](C)(C#N)NC(=O)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 826147787 MBFXPKKFLVAKGM-SMDDNHRTSA-N 316.321 -0.055 30 20 DBED N#C[C@H]1CNC[C@@H]1NC(=O)c1cc(C(N)=O)n(-c2ccccc2)n1 834489852 QBLPILLEWWLDKF-GWCFXTLKSA-N 324.344 -0.187 30 20 DBED C/N=C(/NCCc1nnc(C)s1)NCCN1CCOCC1 849029079 AMSMIPTYXLSVPP-UHFFFAOYSA-N 312.443 -0.114 30 20 DBED C#CCNC(=O)CN1CCN(C[C@H](O)CN(C)C(C)C)CC1 851751176 OPOLRQDVDSSTRG-OAHLLOKOSA-N 310.442 -0.946 30 20 DBED CCOC(=O)N1CCC(S(=O)(=O)NCC#CCO)CC1 867466802 ARBMTVLEBSCRLY-UHFFFAOYSA-N 304.368 -0.478 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N[C@@H](C)CN1CCCC1=O 875128304 SWNLHDINDFEKBA-STQMWFEESA-N 323.393 -0.342 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N[C@H](C#C)[C@@H]1CCCO1 875322311 BFUYQLMZHOCBOC-MCIONIFRSA-N 306.362 -0.172 30 20 DBED C#CC1(O)CN(C(=O)C2=NN(c3ccccc3)C(=O)[C@@H](C)N2)C1 890520208 GFIOZBQXZCXSSD-LLVKDONJSA-N 312.329 -0.469 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)CCC)CC1 891460975 LNAZGKUVIKOCRS-LBPRGKRZSA-N 316.427 -0.030 30 20 DBED C#CCSCC(=O)N1CCS(=O)(=O)[C@@H]2COCC[C@@H]21 909924556 ZGXXUXLYBRTXED-WDEREUQCSA-N 303.405 -0.233 30 20 DBED CN(C)CC#CCNC(=O)CCCS(=O)(=O)N1CCCC1 913517799 PVTOVUYLAJWEHK-UHFFFAOYSA-N 315.439 -0.127 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2cnon2)C1 941237732 HXHQRRNRKFNGHM-YPMHNXCESA-N 317.349 -0.502 30 20 DBED C#CCN1CC[C@H](NC(=O)CN2CCN(C)C(=O)C2)[C@@H](C)C1 942200234 KQSBFYJUBXZOQK-KBPBESRZSA-N 306.410 -0.780 30 20 DBED C=C(C)C(C)(C)C(=O)N1CC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1 942305144 TUHIISACWQOACB-MNOVXSKESA-N 308.382 -0.013 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(CC1)CN(C(=O)[C@H]1CCNC1=O)C2 945035686 RHWHVMMOOFXGPK-RYUDHWBXSA-N 318.377 -0.267 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)C(N)=O)C[C@@H]2C)nc1 945485225 RIPOQQPFWGIUSN-CMPLNLGQSA-N 314.345 -0.485 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CN2CCOCC2=O)C[C@@H]1C 947394581 GGLMRLIPZVPAKE-UONOGXRCSA-N 307.394 -0.162 30 20 DBED C#CCN1CCC[C@H](N(C)C(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 948775750 PZUCOIBIHWUBSC-MELADBBJSA-N 307.394 -0.035 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@]2(CCN(C(=O)Cn3cnnn3)C2)C1 953086478 LWURDSQVZBOCBH-RISCZKNCSA-N 317.353 -0.716 30 20 DBED NC(=O)CC(=O)N1CC[C@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21 953343087 UYRSEUQDNBMJPB-OLZOCXBDSA-N 303.362 -0.275 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(N(C)C(=O)Cc2nc[nH]n2)CC1 954831350 BULFNYZAXNTXSD-JTQLQIEISA-N 304.354 -0.044 30 20 DBED COCC(=O)N1CC[C@@H](N2CCN(C(=O)C#CC3CC3)CC2)C1 956593218 XOLUPIBZQOBYDY-OAHLLOKOSA-N 319.405 -0.209 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2CN(CCOC)C[C@H]2O)cn1 958602492 HABHTJYVZIVDCD-UKRRQHHQSA-N 303.362 -0.268 30 20 DBED C#CCCN1C[C@H](CNC(=O)C2CCN(C(C)=O)CC2)[C@@H](O)C1 958657897 QDWGFPCKJRRAAH-HOTGVXAUSA-N 321.421 -0.323 30 20 DBED CN(C(=O)[C@@H]1CCOC1)[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 958706892 CFZQEGFDEYLLKH-RDBSUJKOSA-N 306.362 -0.534 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H]2CN(C(=O)Cn3ccnc3)C[C@@H]21 960877738 HPXIIOSIXRNTNJ-FRRDWIJNSA-N 317.349 -0.519 30 20 DBED C#CCN1C[C@H]2C(NC(=O)C3(N4CCOCC4)CCC3)[C@@H]2C1 962162749 ISFRKAWVNGMLAZ-ZIAGYGMSSA-N 303.406 -0.079 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]2[C@H]1CCCN2C(=O)C(N)=O 963543157 VHIRSAJBVFVOFU-LPWJVIDDSA-N 321.377 -0.345 30 20 DBED Cn1nccc1C(=O)NC[C@H]1COCCN1C(=O)C#CC1CC1 964118611 PCYOYDVONKDTRP-ZDUSSCGKSA-N 316.361 -0.209 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)C1CCN(C)CC1 964237857 PZSWLIQNWUYDGJ-JSGCOSHPSA-N 322.409 -0.169 30 20 DBED Cc1c[nH]c(C(=O)N2CCOC3(C2)CN(C(=O)[C@@H](C)C#N)C3)n1 965393187 QCPSLNMOLPCXLT-JTQLQIEISA-N 317.349 -0.069 30 20 DBED C[C@H]1CN(C(=O)CC(N)=O)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 966250496 QMFMQSOUCPACRD-GZMMTYOYSA-N 303.322 -0.662 30 20 DBED C#CCN1CC[C@H](C)[C@H](NC(=O)CN2CCCS2(=O)=O)C1 966525688 NVLMRDXUJKQQME-QWHCGFSZSA-N 313.423 -0.518 30 20 DBED COCc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)o1 968820373 HMQMNFBXIBWXKZ-WCQGTBRESA-N 321.333 -0.113 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)C1CN(Cc2nnn(C)n2)C1 970447534 RLBIAXGMLIVPRZ-RTXFEEFZSA-N 320.397 -0.262 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)c3ccc(=O)n(C)n3)[C@H]2C1 977221392 JFWOXPLFFMLFDV-QISWUMQESA-N 315.333 -0.873 30 20 DBED C=CCN1C[C@@H]2C(CNC(=O)[C@H]3CCN(C)S3(=O)=O)[C@H]2C1 978852497 GYCHIZPOZHGDMA-JHJVBQTASA-N 313.423 -0.500 30 20 DBED C=CCCn1cc(C(=O)N2CC[C@H](NCC(N)=O)[C@@H]2C)nn1 987169634 QEYRFQNKIXCPQX-QWRGUYRKSA-N 306.370 -0.468 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CN(C)C(=O)c2nnn(C)n2)CC1 988627827 KGVZOSHYOMFHCF-JTQLQIEISA-N 319.369 -0.320 30 20 DBED C[C@H]1C[C@@H](NCC#N)CN1C(=O)c1ccc(S(N)(=O)=O)o1 989095527 RYTASIOOUFWSMV-DTWKUNHWSA-N 312.351 -0.357 30 20 DBED C=CCCn1cc(C(=O)N2C[C@H](NCC(N)=O)C[C@H]2C)nn1 989543361 KREUIVSXGRHEAL-GHMZBOCLSA-N 306.370 -0.468 30 20 DBED C#Cc1cncc(C(=O)N2CC[C@H](NC(=O)C(N)=O)[C@H]2C)c1 989597377 ZNAGZJBEFGNYHY-SKDRFNHKSA-N 300.318 -0.733 30 20 DBED O=C(N[C@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1O)c1cc[nH]n1 991310083 PYAHNOHUODWVCE-AAEUAGOBSA-N 302.334 -0.485 30 20 DBED C[C@@H](C#N)C(=O)N1CC(CNC(=O)c2ccc(C(N)=O)[nH]2)C1 1004486540 LWXGZCGMRZVVSW-QMMMGPOBSA-N 303.322 -0.539 30 20 DBED CC(=O)N1CC(C(=O)NC[C@H]2[C@@H]3CN(C(=O)[C@H](C)C#N)C[C@H]23)C1 1008993344 PYNLVQDHMXSUMW-JXJLXUTGSA-N 318.377 -0.555 30 20 DBED CN1CC[C@@H](N2CC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)C1=O 1010649061 CFMMITXELSDEMY-DGCLKSJQSA-N 301.350 -0.079 30 20 DBED CCN1CCO[C@H](C(=O)N2CCN(C(=O)C#CC3CC3)CC2)C1 1011111259 IHLQWKLHNDFUGU-HNNXBMFYSA-N 319.405 -0.209 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(C1)CN(C(=O)[C@H]1CCC(=O)NC1)C2 1019173871 XIBYYAMAQYVRQD-RYUDHWBXSA-N 318.377 -0.267 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H](NCc2cnn(C)n2)C1 1020250696 LOMRTWUXHQWBJG-YDHLFZDLSA-N 316.409 -0.351 30 20 DBED C#CCN1CC[C@H]2[C@@H](CCCN2C(=O)Cn2cnnc2O)C1 1021567773 YJFSLVUVLKIBFN-STQMWFEESA-N 303.366 -0.070 30 20 DBED Cc1cc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2O)cnn1 1023521531 VFXNCIGGPADSLF-GGZOMVNGSA-N 303.322 -0.754 30 20 DBED C#CCN1CC[C@@H](CNC(=O)C2CC3(C2)NC(=O)NC3=O)C1 1028863882 FZMPNOQSONGOOH-NLTNOIMHSA-N 304.350 -0.954 30 20 DBED CC#CCN1CC[C@@H](N(C)C(=O)CN2CCN(C)C(=O)C2)C1 1033204977 CYMHJUZKEKYQJW-CQSZACIVSA-N 306.410 -0.684 30 20 DBED C#CCCN1CCO[C@@H](CNC(=O)c2cc3n(n2)CCO3)C1 1035397868 HRCFEXHCWJQJCV-LBPRGKRZSA-N 304.350 -0.271 30 20 DBED CC#CCN1CCO[C@@H](CNC(=O)c2cnc3n2CCOC3)C1 1035405589 YPULVLQHWSDMOP-ZDUSSCGKSA-N 318.377 -0.133 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@]1(O)CCN(C(=O)CC2CC2)C1 1039720934 GPDRIKMHNKFSCD-MLGOLLRUSA-N 308.378 -0.096 30 20 DBED Cc1ccnn1CC(=O)NC[C@]1(O)CCN(C(=O)[C@@H](C)C#N)C1 1039743307 QCVJRAPALZKWSF-XHDPSFHLSA-N 319.365 -0.569 30 20 DBED C=CCCOCC(=O)NC[C@]1(O)CCN(C(=O)[C@@H](C)OC)C1 1040155246 CDTGVGKOSXCNDM-IUODEOHRSA-N 314.382 -0.306 30 20 DBED C=CCO[C@H](C)C(=O)NC[C@]1(O)CCN(C(=O)c2cocn2)C1 1040160560 DRHLQEHAKPTKMJ-IAQYHMDHSA-N 323.349 -0.041 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)CSC)C1 1041362428 KIIPRKDAWADFNB-UHFFFAOYSA-N 300.380 -0.921 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)C2CN(C(C)=O)C2)C1 1042787833 JTLMWJQEKZGGJF-UHFFFAOYSA-N 323.393 -0.634 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)[C@]2(C)CCOC2)C1 1042799111 JHUHEDZUWHEHQP-OAHLLOKOSA-N 308.378 -0.094 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(O)CN(C(=O)C(C)(C)F)C1 1042809282 KCAXPKHFNSPNME-CYBMUJFWSA-N 302.346 -0.249 30 20 DBED CO[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1NC(=O)c1cnon1 1042877124 QIARIDFWBRGTEQ-VXGBXAGGSA-N 314.305 -0.030 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)C2(C(F)F)CC2)C1 1043054485 UWCLCJXJHLRVMR-UHFFFAOYSA-N 318.320 -0.076 30 20 DBED C=CCCOCC(=O)NCC1(O)CN(C(=O)COCC)C1 1043564751 IKEGAQOWPAJLPR-UHFFFAOYSA-N 300.355 -0.695 30 20 DBED Cc1cc(N2C[C@H](O)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)ncn1 1043876834 GUMAJXCJDYCLNZ-OLZOCXBDSA-N 312.333 -0.036 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)COCC(F)F)C1 1043963094 QIACQHRKBIHRLY-UHFFFAOYSA-N 322.308 -0.840 30 20 DBED N#Cc1cnc(N2C[C@H](O)[C@H](NC(=O)[C@]3(F)CCOC3)C2)cn1 1044426776 QEDQMRVBDDTTEI-SUNKGSAMSA-N 321.312 -0.857 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)[C@]2(C)CCCOC2)C1 1045546020 GUPSRFPDEJMLBO-BXUZGUMPSA-N 309.366 -0.348 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)c2ccn(C)c2)C[C@@H]1O 1049387866 BNGXKZKNCVVEAF-DRZSPHRISA-N 304.350 -0.172 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)[C@@H]1CCCN(C(N)=O)C1 1051017952 UFPXWJOBNGLVLD-CHWSQXEVSA-N 308.382 -0.773 30 20 DBED C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1NCc1nc(O)n[nH]1 1054588235 PZGRYHIEHRWUNG-LDYMZIIASA-N 315.337 -0.040 30 20 DBED Cc1cnc(C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N)cn1 1056847400 XFWYTHROGVQUCA-JTQLQIEISA-N 305.338 -0.505 30 20 DBED CN(c1cncc(C#N)n1)[C@@H]1CCN(C(=O)Cc2nc[nH]n2)C1 1056964004 GXMXYHCJLMZMLH-LLVKDONJSA-N 312.337 -0.254 30 20 DBED O=C(C#CC1CC1)NCCN(CCO)C(=O)COCC1CC1 1057067673 SKIXPDLZRIALPR-UHFFFAOYSA-N 308.378 -0.237 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)C[C@](C)(O)C=C 1057193135 ANMQLMVRRHNTPJ-OAHLLOKOSA-N 314.382 -0.547 30 20 DBED C=CCO[C@H](C)C(=O)NCCN(CCO)C(=O)c1cocn1 1057203285 WFJVWRKELZDYLQ-LLVKDONJSA-N 311.338 -0.184 30 20 DBED C=C[C@@](C)(O)CC(=O)N(CCO)CCNC(=O)CC(C)(C)O 1057449462 CQZOPGAYNDYBIF-OAHLLOKOSA-N 316.398 -0.588 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)c1csnn1 1057525028 FNUIUDAAUARKKF-UHFFFAOYSA-N 310.379 -0.252 30 20 DBED C[C@@]1(C(=O)NCCN(CCO)C(=O)C#CC2CC2)CCOC1 1057533572 RQWZAQIBJURSPJ-MRXNPFEDSA-N 308.378 -0.237 30 20 DBED C#CCOCCC(=O)N(CCO)CCNC(=O)[C@@H](C)OCC 1057581013 KJBUOIXDVZFAEH-CYBMUJFWSA-N 314.382 -0.612 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)[C@@H](F)C(F)(F)F 1057830927 XQECLPQDSQPXOF-HTQZYQBOSA-N 313.251 -0.016 30 20 DBED C=CC(C)(C)C(=O)N(CCO)CCNC(=O)[C@H](C)NC(C)=O 1058300944 WYLQCJKWMPJSQX-NSHDSACASA-N 313.398 -0.340 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)c1cnc(C)n1C 1058498880 IOJGWYWWCDGHJE-UHFFFAOYSA-N 324.381 -0.518 30 20 DBED Cc1cc(C#N)nc(N2CC[C@@H](NC(=O)[C@H]3CCNC3=O)C2)n1 1058507406 FABHRLZCVPARIX-PWSUYJOCSA-N 314.349 -0.512 30 20 DBED Cc1cc(C(=O)NCCN(CCO)C(=O)[C@H](C)C#N)nn1C 1058652616 BEZNVTVUSCXJLQ-SNVBAGLBSA-N 307.354 -0.561 30 20 DBED COC(=O)NCC(=O)N1CCC2(CC1)CN(C(=O)[C@@H](C)C#N)C2 1061112809 LOHSTYFLPYUEAI-NSHDSACASA-N 322.365 -0.047 30 20 DBED C=C[C@@H](CC)CC(=O)N1CCOC[C@H]1CNC(=O)CC(N)=O 1061441892 AJGOCFQYLWIAKC-NWDGAFQWSA-N 311.382 -0.192 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCCC[C@@H]1CNC(=O)CC(=O)NC 1062211655 VICQUUQSHPBSEN-QWHCGFSZSA-N 323.393 -0.342 30 20 DBED O=C(C#CC1CC1)NCC1(NC(=O)[C@@H]2CCNC2=O)CCC1 1062978920 DKRBHFQUNGRKEW-GFCCVEGCSA-N 303.362 -0.309 30 20 DBED Cc1[nH]nc(C(=O)N2CCO[C@@H](CNC(=O)[C@H](C)C#N)C2)c1O 1065048948 UOJZFNYFSANHQA-SCZZXKLOSA-N 321.337 -0.459 30 20 DBED CC(C)C#CC(=O)N1CCO[C@H](CNC(=O)Cn2nccn2)C1 1065129466 RHQHXSNXUWPGLV-CYBMUJFWSA-N 319.365 -0.719 30 20 DBED C#CCOCCC(=O)N1CCO[C@@H](CNC(=O)[C@@H]2CCCO2)C1 1065149527 CILDXTHDOHWGQY-KBPBESRZSA-N 324.377 -0.451 30 20 DBED C[C@@]1(NC(=O)[C@@H]2COCCO2)CCN(c2cncc(C#N)n2)C1 1065210561 NWJGPOVFXQPORN-SWLSCSKDSA-N 317.349 -0.151 30 20 DBED CN(C(=O)c1cnco1)[C@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1065612791 NAYDGDOSIGNIJL-UWVGGRQHSA-N 314.305 -0.342 30 20 DBED CN(C(=O)c1cnco1)[C@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1065612970 WONPSWIZUXOKEH-QWRGUYRKSA-N 314.305 -0.342 30 20 DBED N#Cc1cnccc1N1C[C@@H](O)[C@@H](CNC(=O)c2cnn[nH]2)C1 1067698152 SMACGVBFTIPHNV-GXFFZTMASA-N 313.321 -0.702 30 20 DBED CCC1(NC(=O)CNC(=O)NC)CCN(C(=O)[C@@H](C)C#N)CC1 1069582471 GWAPIKGOFNVZQM-NSHDSACASA-N 323.397 -0.038 30 20 DBED N#CCN1CCOC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CCCO2)n1 1070579114 WNCAMTPMSNRTJR-GHMZBOCLSA-N 320.353 -0.503 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)CN4CCOCC4)C[C@@]3(C1)O2 1070786622 JVXKENZBCWPIAD-BFYDXBDKSA-N 319.405 -0.747 30 20 DBED C#CCOCCC(=O)N1C[C@H](C)[C@H](NC(=O)CC(=O)NC)C1 1072097720 QCNTXVFPUOAWPK-NWDGAFQWSA-N 309.366 -0.875 30 20 DBED C=CCCOCC(=O)N1C[C@@H](C)[C@@H](NC(=O)c2cnn(C)n2)C1 1072333456 NPPBYRCRFWBYPW-YPMHNXCESA-N 321.381 -0.016 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)c3ccc(=O)n(C)c3)C[C@@H]21 1074284728 RICASLXFCCGHDT-LSDHHAIUSA-N 315.373 -0.066 30 20 DBED C[C@@H](CCNC(=O)C#CC1CC1)NC(=O)[C@]1(C)CNC(=O)C1 1076431927 VAWMIZSOCJUVCW-ZBEGNZNMSA-N 305.378 -0.063 30 20 DBED C#CCCCCC(=O)N[C@@H](C)CCNC(=O)Cn1ncnn1 1076649619 RRVINXDKIOFTDQ-LBPRGKRZSA-N 306.370 -0.122 30 20 DBED C=CCOCC(=O)N[C@@H](C)CCNC(=O)[C@@H](C)S(C)(=O)=O 1077261148 KJEXUQRZWOJOSO-WDEREUQCSA-N 320.411 -0.367 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)c2cc3n(n2)CCCO3)C1 1077365332 IGRMWKCNIAFRDV-CHWSQXEVSA-N 304.350 -0.536 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN([C@H](C)COC)C[C@H]2O)cn1 1078033451 KSXOTVQUTLEYQM-KCPJHIHWSA-N 303.362 -0.127 30 20 DBED C#CCCCC(=O)N1C[C@H](CNC(=O)c2ncn(C)n2)[C@@H](O)C1 1081454814 FFKWJEMEQBFEKQ-RYUDHWBXSA-N 319.365 -0.832 30 20 DBED C#CCOCCC(=O)NC[C@H]1CN(C(=O)c2ccc[nH]2)C[C@@H]1O 1081484889 CXMCTTDKYFIXCI-JSGCOSHPSA-N 319.361 -0.396 30 20 DBED C=CCCN1C[C@@H](NC(=O)c2cnc(O)n(C)c2=O)[C@H](OC)C1 1082016596 WXPXIDLZVSEONA-VXGBXAGGSA-N 322.365 -0.509 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cn2cccnc2n1 1083129761 CNTALLCETZNCQY-UONOGXRCSA-N 311.345 -0.112 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CCCS1(=O)=O 1083280328 NWAWCNZGIOTPMB-XQQFMLRXSA-N 312.391 -0.892 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)[C@H](C)N2C(=O)CCC2=O)C1 1083501977 OHDNXIDASYUOGW-TUAOUCFPSA-N 309.366 -0.739 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)[C@H]2CC(=O)N(CC)C2)C1 1083503223 KNJMHRCTKVMKPY-TUAOUCFPSA-N 315.801 -0.231 30 20 DBED C#CCN1CC[C@@H]1CN(C)C(=O)[C@@H]1Cc2cncn2C(=O)N1 1085737394 MIJQJPFUCFUXQV-YPMHNXCESA-N 301.350 -0.469 30 20 DBED N#CCN1C[C@H]2CC[C@H]1[C@H]1CN(C(=O)Cn3ncnn3)C[C@@H]21 1087358940 ONAORGRHUMTFOC-VOAKCMCISA-N 301.354 -0.635 30 20 DBED Cn1nncc1C(=O)N[C@@H]1CN(CC#N)CC2(CCOCC2)C1 1089939289 NWWVAHSWFAWQFB-LBPRGKRZSA-N 318.381 -0.060 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2cnc(C)nc2OC)[C@H](O)C1 1090311646 WJESFNWLOIVFAE-UONOGXRCSA-N 318.377 -0.018 30 20 DBED COCc1cncc(C(=O)N[C@@H]2CCN(CC#N)C[C@@H]2O)c1 1090329760 MIKVYZCAVSLWGW-KGLIPLIRSA-N 304.350 -0.083 30 20 DBED N#CCN1CC[C@H](NC(=O)c2cnn3c2CCCC3)[C@@H](O)C1 1090699395 CCXBYFZOYYVMCY-JSGCOSHPSA-N 303.366 -0.092 30 20 DBED C#Cc1ccccc1CC(=O)N[C@H]1CCN(CC(N)=O)C[C@@H]1O 1090763832 MLTBFEBYQWEDOG-GJZGRUSLSA-N 315.373 -0.753 30 20 DBED COCc1nc(C(=O)N[C@H]2CCN(CC#N)C[C@@H]2O)cs1 1090844436 QAHCQOLNHHMNHW-ONGXEEELSA-N 310.379 -0.022 30 20 DBED CO[C@H](C(=O)NCCNc1ccc(C#N)nn1)[C@H]1CCOC1 1094011168 BAXXSGICUYKAJH-GWCFXTLKSA-N 305.338 -0.072 30 20 DBED N#Cc1cnc(NCCNC(=O)[C@@H]2CN3CCC[C@H]3CO2)cn1 1094203475 UDESZTSBHOLQHH-STQMWFEESA-N 316.365 -0.260 30 20 DBED Cn1nccc1C(=O)NCc1cn(C2CN(CC#N)C2)nn1 1094278346 DHQJFQDACXCHHY-UHFFFAOYSA-N 300.326 -0.678 30 20 DBED C#CCN1CCN(C(=O)[C@@H]2C[C@H]2CC)[C@@H]2CS(=O)(=O)C[C@@H]21 1094662391 QNLDOQRNUSNHKY-YIYPIFLZSA-N 310.419 -0.025 30 20 DBED CO[C@H](C(=O)NCCCN=c1cc[nH]c(C#N)n1)[C@H]1CCOC1 1094684331 SIOKRDKQOVSVOO-FZMZJTMJSA-N 319.365 -0.260 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)CN3CCC[C@H]3C)CC2=O)C1 1094783659 UQPAWCWHQSYTPB-ZIAGYGMSSA-N 318.421 -0.495 30 20 DBED N#Cc1nccc(N2CC[C@H](NC(=O)CO[C@@H]3CCOC3)C2)n1 1096439030 BMIMCHQPPHCCNW-NWDGAFQWSA-N 317.349 -0.151 30 20 DBED C#CCCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN1C(=O)CNC1=O 1096501335 ALIUCYCHPONEIT-WOPDTQHZSA-N 304.350 -0.717 30 20 DBED CN(C)CCOCC(=O)N[C@H]1C[C@H](N=c2cc[nH]c(C#N)n2)C1 1097049600 LVYAHMGNVWVRLS-HAQNSBGRSA-N 318.381 -0.593 30 20 DBED C=CCCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1C(=O)CNC1=O 1098343495 DKTYGNGUVYKHPK-UTUOFQBUSA-N 306.366 -0.164 30 20 DBED C=CCCN(CCO)C1CCN(C(=O)Cn2ncnn2)CC1 1098367758 NNOJNADRGDPLMC-UHFFFAOYSA-N 308.386 -0.466 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)C2=CCCC2)[C@H](O)C1 1099780336 FTVSMIBCSKFQBD-UONOGXRCSA-N 307.394 -0.050 30 20 DBED C=CCCCN1CC[C@@H](NC(=O)Cn2ncn(C)c2=O)[C@H](O)C1 1099895556 YGUCMUZSWXCKKY-CHWSQXEVSA-N 323.397 -0.901 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CNC(=O)C(C)(C)C)[C@@H](O)C1 1100107502 GNMHJCGGKGKLPU-OLZOCXBDSA-N 309.410 -0.277 30 20 DBED CCN1CCOC[C@H]1C(=O)NCCN(C)c1cnc(C#N)cn1 1100219754 MHDPTWDUCMAWIC-ZDUSSCGKSA-N 318.381 -0.379 30 20 DBED C#CCOCCC(=O)NCC1CC(N[C@@H](C)C(=O)NC(N)=O)C1 1100323789 LIBHGRFGHQHGEF-UNXYVOJBSA-N 324.381 -0.906 30 20 DBED CCNC(=O)CC(=O)NC[C@H]1CCCN1c1ccc(C#N)nn1 1100832162 UGJYSAWHXBHNMU-GFCCVEGCSA-N 316.365 -0.041 30 20 DBED CN(CCNc1ccc(C#N)nn1)C(=O)C1CC(=O)NC(=O)C1 1101683973 SUHZCUTWWRKASK-UHFFFAOYSA-N 316.321 -0.729 30 20 DBED C=CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)C2=COCCO2)C1 1101698768 UEPMINVTAHKYDR-CHWSQXEVSA-N 323.393 -0.139 30 20 DBED CN(CCN=c1cc[nH]cc1C#N)C(=O)[C@@]1(C)CNC(=O)C1 1101876787 DKSSZBDRGWVZQF-OAHLLOKOSA-N 301.350 -0.228 30 20 DBED C[C@@H]1CN([C@H](C)C(=O)NC(N)=O)C[C@H]1CNC(=O)C#CC1CC1 1101954101 REOCVCMQRTVBEG-NQBHXWOUSA-N 320.393 -0.333 30 20 DBED CN(CCNc1cnc(C#N)cn1)C(=O)c1ccc(C(N)=O)[nH]1 1101969831 PTQKHRVRFUWGHT-UHFFFAOYSA-N 313.321 -0.041 30 20 DBED CN(CCNc1cnc(C#N)cn1)C(=O)[C@H]1CCC(=O)NC1 1102027727 VLHNIRVPHSIQCK-JTQLQIEISA-N 302.338 -0.255 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H]2C[C@H]1CN2c1ncccc1C#N 1102548022 ZYWWWQPDGZTHOL-KBPBESRZSA-N 323.356 -0.118 30 20 DBED CC[C@@H](CNC(=O)[C@H](C)NC(N)=O)Nc1nccnc1C#N 1103046172 ORTJKYYTYANOSC-IUCAKERBSA-N 305.342 -0.288 30 20 DBED CC[C@H](CNC(=O)Cn1ncnn1)Nc1ccc(C#N)nn1 1103208056 SLJZMRIWDZNAHQ-SECBINFHSA-N 301.314 -0.658 30 20 DBED CC[C@H](CNC(=O)[C@@H]1CCCNC1=O)N=c1cc[nH]c(C#N)n1 1103216977 MYMITFLYLGGSJG-GHMZBOCLSA-N 316.365 -0.397 30 20 DBED N#Cc1nccnc1NC[C@H]1CCCN1C(=O)CNC(N)=O 1103789397 ZCKUMBMFEWIHHR-SECBINFHSA-N 303.326 -0.581 30 20 DBED COC[C@@H](C)C(=O)NC[C@H]1CN(c2cnc(C#N)cn2)CCO1 1104309544 COTFOGMQLOALHA-YPMHNXCESA-N 319.365 -0.048 30 20 DBED C[C@H](CNc1cncc(C#N)n1)N(C)C(=O)Cn1cncn1 1104569771 DWGIPNWCFGPKPL-SNVBAGLBSA-N 300.326 -0.101 30 20 DBED CC(C)[C@@H](CNC(=O)Cn1cncn1)N=c1cc[nH]c(C#N)n1 1105186821 AIBFEWMMPWQDQH-LLVKDONJSA-N 314.353 -0.385 30 20 DBED C#CCCCC(=O)N1CC(n2cc(CNCC(=O)NC)nn2)C1 1105224676 AFBYYMQSAYQCHT-UHFFFAOYSA-N 318.381 -0.700 30 20 DBED N#CCNCc1cn(C2CN(C(=O)c3cnnc(O)c3)C2)nn1 1105265120 ZDBVWVNWTSZKLS-UHFFFAOYSA-N 314.309 -0.916 30 20 DBED CN(CCN(C)c1nccnc1C#N)C(=O)CCc1nc[nH]n1 1105376438 GIJJZCOJWKOZQU-UHFFFAOYSA-N 314.353 -0.006 30 20 DBED CN(CCN(C)c1ccc(C#N)nn1)C(=O)C[C@H]1CCNC1=O 1105483231 DVFPINSTQHKFHZ-LLVKDONJSA-N 316.365 -0.231 30 20 DBED CN(CCN(C)c1ccncc1C#N)C(=O)[C@H]1CCNC1=O 1105534916 HOJQAZFSYCZNMV-LBPRGKRZSA-N 301.350 -0.016 30 20 DBED Cc1ncncc1C(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1 1105723227 KKOSZOPIITTXHU-SNVBAGLBSA-N 313.321 -0.929 30 20 DBED N#Cc1cncc(NC[C@H](O)CNC(=O)c2cccc(O)n2)n1 1105775104 AKKLNDNXVRIZKO-JTQLQIEISA-N 314.305 -0.348 30 20 DBED N#Cc1nc(=NC[C@@H](O)CNC(=O)CC[C@H]2CCOC2)cc[nH]1 1105786265 IGBCPPDANPMVEZ-NWDGAFQWSA-N 319.365 -0.524 30 20 DBED CCOCCOCC(=O)NC[C@@H](O)CNc1ncccc1C#N 1105870805 AMMCKEHYBBJFHN-CYBMUJFWSA-N 322.365 -0.105 30 20 DBED CCc1nc[nH]c1C(=O)NC[C@H](O)CN=c1cc[nH]cc1C#N 1105922073 MWBINVSYOSTTHF-LLVKDONJSA-N 314.349 -0.137 30 20 DBED C[C@]1(C(=O)NC[C@@H](O)CN=c2cc[nH]cc2C#N)CCOC1 1105938142 BSIPQNCFLRUOLY-WFASDCNBSA-N 304.350 -0.309 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)C2(C(N)=O)CC2)nc1 1106098472 VRJMEDNTBMLNEO-SNVBAGLBSA-N 303.322 -0.892 30 20 DBED CC(=O)N[C@@H](C)C(=O)NC/C=C/CNc1cncc(C#N)n1 1107021118 MWLPRPKKASPDSK-FSIBCCDJSA-N 302.338 -0.043 30 20 DBED CC(=O)N[C@H](C)C(=O)NC/C=C/CNc1cnc(C#N)cn1 1107021401 RYKSEXMSFFOHHR-HMDXOVGESA-N 302.338 -0.043 30 20 DBED C[C@]1(C(=O)NC/C=C\CNc2ccc(C#N)nn2)CNC(=O)C1 1107421441 FNVGQFLXJFOZGJ-MPNWYJEXSA-N 314.349 -0.041 30 20 DBED C[C@@]1(C(=O)NC/C=C/CNc2cnc(C#N)cn2)CCNC1=O 1107508965 TWTPIPGDTYSNJY-FAAWYNLUSA-N 314.349 -0.041 30 20 DBED C=CCN1CCO[C@@](C)(CNC(=O)[C@H](C)N2C(=O)CCC2=O)C1 1107982504 BEYYMMQOFLPKIH-LRDDRELGSA-N 323.393 -0.083 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)c2cc3n(n2)CCO3)C1 1108000273 RGKYHYKUGRKIII-OAHLLOKOSA-N 304.350 -0.271 30 20 DBED C[C@@H](CNc1cncc(C#N)n1)NC(=O)C[C@H]1CC(=O)NC1=O 1108436216 YQHGQYVQHIJKBY-IUCAKERBSA-N 316.321 -0.682 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC(N2C[C@H](NC(=O)CC)CC2=O)C1 1108490803 AKEIWDNWWIKCPM-VXGBXAGGSA-N 322.409 -0.512 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1 1108538667 LIQSUFLERQFFRZ-XHDPSFHLSA-N 306.366 -0.762 30 20 DBED COCC(=O)N(C)CC(=O)N[C@@H](C)CNc1ncccc1C#N 1108745729 MZMCDZNOZKGZMT-NSHDSACASA-N 319.365 -0.025 30 20 DBED C[C@H](CN(C)c1cnc(C#N)cn1)NC(=O)[C@H]1COCCO1 1108828873 BUBRSUHXYOLPSY-ZYHUDNBSSA-N 305.338 -0.295 30 20 DBED C[C@H](CN(C)c1cnc(C#N)cn1)NC(=O)[C@@H]1CCNC(=O)C1 1108894089 AZMYRVNTHFIYFF-GHMZBOCLSA-N 316.365 -0.185 30 20 DBED CCS(=O)(=O)CC(=O)NCC1(Nc2nccnc2C#N)CC1 1110157016 BFMCMLYFDNHTDZ-UHFFFAOYSA-N 323.378 -0.156 30 20 DBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cncnc1 1110475138 REOVKZHUESUMJH-UPJWGTAASA-N 314.349 -0.549 30 20 DBED C[C@H](C#N)C(=O)NC[C@]1(O)CCN(c2ccnc(C#N)n2)C1 1111042211 QMOGXWRMHZADRD-QMTHXVAHSA-N 300.322 -0.435 30 20 DBED CCOCCC(=O)NC[C@]1(O)CCN(c2ccnc(C#N)n2)C1 1111042662 YTIWVHZVEMRKBD-OAHLLOKOSA-N 319.365 -0.168 30 20 DBED C[C@H]1C[C@H](NC(=O)CC(N)=O)CCN1c1cncc(C#N)n1 1112461899 FWDSCWDQWGTWBB-VHSXEESVSA-N 302.338 -0.303 30 20 DBED C[C@H](NC(=O)Cn1ncnn1)[C@H](C)Nc1ncccc1C#N 1113194592 SKKWAPUFPJPPMW-UWVGGRQHSA-N 300.326 -0.055 30 20 DBED CCC(=O)NCC(=O)NC[C@@H](C)N(C)c1ccnc(C#N)n1 1113537347 LZNUSAACGSWWBB-SNVBAGLBSA-N 304.354 -0.185 30 20 DBED C[C@@H](CNC(=O)c1nnn(C)n1)N(C)c1ccc(C#N)cn1 1113815228 XETFVTILNHAXOA-VIFPVBQESA-N 300.326 -0.269 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@@H](C)OCC(C)C)[C@H]2C1 1113965446 NVUNMSHXCNQXET-NYTXWWLZSA-N 321.421 -0.157 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3n[nH]c(C)c3C)[C@H]2C1 1114061683 VLYSSOVXDJDNHJ-JYAVWHMHSA-N 315.377 -0.564 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3cncc(C)c3)[C@H]2C1 1114093496 PYSNITWQALGSLR-KBPBESRZSA-N 312.373 -0.201 30 20 DBED C#CCCCCC(=O)N[C@H]1[C@@H]2CN(CC(=O)NC(=O)NC)C[C@@H]21 1114159873 NEJMHKXMAJRLMI-JYAVWHMHSA-N 320.393 -0.318 30 20 DBED C=CCOCCN1C[C@H]2C(NC(=O)[C@]3(C)CNC(=O)C3)[C@@H]2C1 1114602131 JFJWRJWDTBKTPY-HSMVNMDESA-N 307.394 -0.238 30 20 DBED C=CCOCCN1C[C@H]2[C@H](NC(=O)c3cnc(O)n3C)[C@H]2C1 1114665484 IMSISSSXFCHGKG-PJXYFTJBSA-N 306.366 -0.012 30 20 DBED CCN(C)CCC(=O)NC1[C@H]2CN(CC(=O)NCC#N)C[C@H]12 1115074346 KELQMCNUXRABRB-RYUDHWBXSA-N 307.398 -0.986 30 20 DBED COc1cc(C#N)ccc1NC(=O)C(=O)NCc1ncn(C)n1 1116631108 GKYCDRGIGSWVFH-UHFFFAOYSA-N 314.305 -0.050 30 20 DBED C=CCNC(=O)COC(=O)C1CCN(S(=O)(=O)NC)CC1 1117167855 UYRKZAJZEKLGFM-UHFFFAOYSA-N 319.383 -0.992 30 20 DBED C#CCN1CCC[C@@H](NC(=O)N[C@H]2CS(=O)(=O)C[C@H]2C)C1 1119309702 MPKKDEDTZJJSJE-UPJWGTAASA-N 313.423 -0.184 30 20 DBED C=CCC1(O)CCN(C(=O)C(=O)NC[C@H]2CNCCO2)CC1 1119423815 RZKRDMRPRQAHLC-GFCCVEGCSA-N 311.382 -0.979 30 20 DBED COCCC(=O)NC1CC2(CC(NCC(=O)NCC#N)C2)C1 1120496325 VRKHAEGNOUZQJT-UHFFFAOYSA-N 308.382 -0.320 30 20 DBED N#Cc1cnc(N[C@H](CO)CNC(=O)CCNC(N)=O)c(F)c1 1121591578 RMGXTTBGHMYGJE-VIFPVBQESA-N 324.316 -0.960 30 20 DBED N#Cc1nc(=N[C@@H](CO)CNC(=O)C[C@H]2CCCOC2)cc[nH]1 1121600054 XZDKNMOIIXYAOO-VXGBXAGGSA-N 319.365 -0.524 30 20 DBED CN1CCC(C(=O)NC[C@H](CO)Nc2cncc(C#N)n2)CC1 1121717754 JPBVOSWNTLHNGM-CYBMUJFWSA-N 318.381 -0.421 30 20 DBED N#Cc1cnc(N[C@@H](CO)CNC(=O)c2nc[nH]n2)c(F)c1 1121893937 WLUJSYMFVYBLQT-MRVPVSSYSA-N 305.273 -0.587 30 20 DBED C[C@@H]1OCCO[C@@H]1C(=O)NC[C@H](CO)Nc1ccc(C#N)nc1 1122775541 DMIXEFPRTXKJQT-GDLCADMTSA-N 320.349 -0.354 30 20 DBED CC(=O)NCC(=O)N1C[C@H](Nc2cnc(C#N)cn2)C[C@@H]1C 1123123205 WHOPDZYPRHGZOO-GXSJLCMTSA-N 302.338 -0.114 30 20 DBED N#Cc1nccnc1N1CC[C@@]2(NC(=O)CC(N)=O)CCC[C@H]12 1123394404 OWMBDAVMUQCEMT-NHYWBVRUSA-N 314.349 -0.159 30 20 DBED CN(C[C@H](O)CNc1cnc(C#N)cn1)C(=O)C1=COCCO1 1124072441 SAMPHGPUXVOXOS-LLVKDONJSA-N 319.321 -0.532 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)[C@@H](C)CSC 1124850869 OLFNTBZBNCCDOG-JTQLQIEISA-N 316.427 -0.297 30 20 DBED C#CCNC(=O)CC(=O)NCCNCC(=O)N1CCC[C@@H](C)C1 1125977819 GYICTPHQSIKFMF-CYBMUJFWSA-N 322.409 -0.910 30 20 DBED C#CCO[C@H](C)C(=O)NCCN[C@@H](C)c1nnnn1C1CC1 1127046612 TUKQNSORHYLGAR-WDEREUQCSA-N 306.370 -0.187 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)CN(C)C(=O)C1CC1 1128624343 YKPNWJCAYGTIJZ-LLVKDONJSA-N 310.398 -0.749 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1occ2c1CCOC2 1131860799 WCLDRGRMENBHHH-NSHDSACASA-N 319.361 -0.190 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)CCNC(=O)C(C)(C)C 1132135503 NRPDYQHMRGOULK-LBPRGKRZSA-N 324.425 -0.618 30 20 DBED C[C@@H]1CC[C@@H](NC(=O)c2ccnnc2)CN1CC(=O)NCC#N 1132323010 WUXZMVJPHFCNHN-DGCLKSJQSA-N 316.365 -0.301 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2ncccn2)CC[C@@H]1C 1132377498 XWHDTGVBPQHANS-STQMWFEESA-N 315.377 -0.191 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)[C@H](C)C(F)(F)F 1132475328 XYYHABJTMODRHI-QMMMGPOBSA-N 324.303 -0.098 30 20 DBED C#CCNC(=O)CNC[C@H]1CN(C(=O)COCC)CC[C@H]1C 1132614209 RXNQQXVBWQOUHL-KGLIPLIRSA-N 309.410 -0.154 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)CCNC(N)=O)CC[C@@H]1C 1133301897 MFWDCIROUGUEHP-UONOGXRCSA-N 324.425 -0.231 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)C[C@@H](C)NCC(=O)N(C)C 1134130422 HMDSRQKUPLXAKB-NEPJUHHUSA-N 310.398 -0.913 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)[C@@H](C)OCCOC)C1=O 1134663655 QGEPVJZUELWXJO-CHWSQXEVSA-N 313.398 -0.469 30 20 DBED CNC(=O)NC(=O)CN1CCC2(C1)CN(C(=O)[C@H](C)C#N)C2 1147224996 FGSWERZJUSLHMG-SNVBAGLBSA-N 307.354 -0.864 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@H]1COc2ccccc2O1 1149843906 JCEOWNIYOUNBLA-CQSZACIVSA-N 319.361 -0.166 30 20 DBED N#CCN1CCCO[C@@H](CNC(=O)CN2CCCCC2=O)C1 1149946260 IKBPZJIFJPBRCY-ZDUSSCGKSA-N 308.382 -0.270 30 20 DBED CCN(CC(=O)N1CCOCC1)[C@H](C)CNC(=O)[C@@H](C)C#N 1152449581 DVSTZIMFJJXKCN-QWHCGFSZSA-N 310.398 -0.169 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)CC[C@]1(C)CCC(=O)N1 1153905984 MXMNZRPVPWNPDN-MLGOLLRUSA-N 322.409 -0.721 30 20 DBED N#Cc1cc(C(=O)NCCCNCCN2C(=O)CNC2=O)c[nH]1 1156847894 JJMCTFXOUBCLMH-UHFFFAOYSA-N 318.337 -0.852 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)[C@H](C)NC(=O)CC 1158664049 ZLXONTKQEYIBDA-RYUDHWBXSA-N 310.398 -0.865 30 20 DBED CCOCCC(=O)NCCC1(CNCC(=O)NCC#N)CC1 1163773112 HRKOKFVEGOEGPR-UHFFFAOYSA-N 310.398 -0.071 30 20 DBED C=CCNC(=O)CNCC1(CCNC(=O)CC(=O)NC)CC1 1164227696 OSINJTGZRCHONS-UHFFFAOYSA-N 310.398 -0.699 30 20 DBED C=CCNC(=O)CNCCCNC(=O)c1ccc2nncn2c1 1168261298 GQMOAENAPUXQPO-UHFFFAOYSA-N 316.365 -0.259 30 20 DBED CN(C)CCOCC(=O)N1CC[C@@H]2OCCN(CC#N)[C@H]2C1 1177139323 QPEXLDBSNFWZHK-KBPBESRZSA-N 310.398 -0.610 30 20 DBED C=CCO[C@H](C)C(=O)NCCCNCC(=O)NC(=O)NCC 1177269038 CUIRTZKSMXKAMM-LLVKDONJSA-N 314.386 -0.481 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2nocc2C)[C@H]1C 1179860997 GWZLPOVMJQWURC-RYUDHWBXSA-N 304.350 -0.075 30 20 DBED COc1ccc(C(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)cn1 1184086070 SZWGNAVPRRCKFC-GFCCVEGCSA-N 317.349 -0.466 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)CCOCCOC)C1 1188325095 FLAVORFPUAURQD-CYBMUJFWSA-N 313.398 -0.468 30 20 DBED C[C@H](C(=O)N1CC[C@H](N(C)CC(=O)NCC#N)C1)n1cccn1 1188974827 XFBRMVDZNDIIBY-OLZOCXBDSA-N 318.381 -0.383 30 20 DBED C=CCN1C[C@@H]2CCN(C(=O)CCCS(N)(=O)=O)[C@@H]2C1 1189012045 IWRWSEQUUXCLOM-NWDGAFQWSA-N 301.412 -0.226 30 20 DBED CN(CC(=O)NCC#N)[C@H]1CCN(C(=O)[C@@H]2CCCCO2)C1 1189653744 YHDWQDAAXZFKES-STQMWFEESA-N 308.382 -0.272 30 20 DBED Cc1nc([C@H](C)N2C[C@@H](O)[C@H](NC(=O)CSCC#N)C2)n[nH]1 1191161760 KFNQZBDXHVRKTH-JMJZKYOTSA-N 324.410 -0.408 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[C@@H](C)O2)C1 1196284381 SBBQOOVXWZIXEZ-FDYHWXHSSA-N 311.382 -0.983 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)CC(C)C)C1 1197243782 DNPYABMEKKNUFI-BFHYXJOUSA-N 309.410 -0.421 30 20 DBED C=CCn1cc(C(=O)N2CCCN(C[C@H](O)COC)CC2)nn1 1197370015 RLCMGIKPVKXFHJ-ZDUSSCGKSA-N 323.397 -0.381 30 20 DBED CCc1noc(CCCC(=O)N[C@@H]2CN(CC#N)C[C@H]2O)n1 1198646281 ZQLINMPCHHDMOK-GHMZBOCLSA-N 307.354 -0.360 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2nnc(CC)o2)C[C@H]1O 1199314038 NXGVJYMRAHENPN-IJLUTSLNSA-N 324.381 -0.116 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)Cc2cc[nH]n2)CC1 1199928607 JOSZHCYYMXQZLQ-UHFFFAOYSA-N 305.382 -0.165 30 20 DBED C#CCNC(=O)CNC[C@H]1CN(C(=O)c2ccon2)CCCO1 1199967738 PKLLKKBUUFXNHD-LBPRGKRZSA-N 320.349 -0.755 30 20 DBED C=CCCC(=O)N1CCCO[C@@H](CN[C@H]2CCC(=O)NC2=O)C1 1200083150 AXESKLSTOJRDKE-STQMWFEESA-N 323.393 -0.035 30 20 DBED C#CCNC[C@H]1CN(C(=O)[C@@H]2CC(=O)N(CC)C2)CCCO1 1200636506 ZPKMHAWYGBQVCH-KGLIPLIRSA-N 307.394 -0.305 30 20 DBED C#CCCNC[C@H]1CN(C(=O)[C@H](C)S(C)(=O)=O)CCCO1 1200814843 MJKUOUBVZXQIHI-STQMWFEESA-N 316.423 -0.350 30 20 DBED C=C(C)CNC[C@H]1CN(C(=O)CCn2cnnn2)CCCO1 1201712433 NZMCCNYUSQAJNQ-ZDUSSCGKSA-N 308.386 -0.154 30 20 DBED CC#CCN[C@H]1C[C@H](NC(=O)CN2CC(=O)NC2=O)C12CCC2 1203508250 WZTMCCUSYNUBGN-RYUDHWBXSA-N 318.377 -0.422 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)c2ccon2)[C@H](C)C1 1206273922 MWZBZVLYVYHWRE-NTZNESFSSA-N 304.350 -0.137 30 20 DBED C=C(C)CN(CC)C(=O)CN1C[C@@H](NC(=O)C(N)=O)[C@H](C)C1 1208449855 GLCHTBAMNPDUBJ-VXGBXAGGSA-N 310.398 -0.667 30 20 DBED C#CCN1C[C@@H](NC(=O)CNC(=O)C(CC)CC)[C@H](OC)C1 1214004959 AZOIEUVPZCWARQ-ZIAGYGMSSA-N 309.410 -0.013 30 20 DBED CCc1ocnc1C(=O)N1C[C@@H](NCC(=O)NCC#N)[C@H](C)C1 1214373300 QDRBDKXFQGEQIT-GHMZBOCLSA-N 319.365 -0.073 30 20 DBED Cc1nnccc1C(=O)N1C[C@@H](NCC(=O)NCC#N)[C@H](C)C1 1215067721 ZILVJYWIQQSJCE-ZWNOBZJWSA-N 316.365 -0.525 30 20 DBED N#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C2CCCCCC2)C1 1219328657 RVYOPWKNLRDUJX-KGLIPLIRSA-N 322.409 -0.242 30 20 DBED C=CCOCC(=O)N[C@@H]1CN([C@@H](C)C(=O)NCCC)C[C@@H]1O 1219365637 CAPMUOBRQOYUGF-XQQFMLRXSA-N 313.398 -0.735 30 20 DBED C=CCC[C@H](C)N1C[C@H](O)[C@H](NC(=O)CCNC(=O)NC)C1 1219571525 UMHRTMMYAPQJDB-XQQFMLRXSA-N 312.414 -0.179 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@H]2CCCC23CC3)C1 1219866874 CRQRIENRBOLZRY-MCIONIFRSA-N 319.405 -0.523 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@H](C)C(CC)CC)C1 1219915379 ITXCSDDROGQTGL-YUELXQCFSA-N 323.437 -0.031 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)[C@@H](COC)OC)C1 1220318338 OEFLMVPSIXYDMK-FRRDWIJNSA-N 302.371 -0.988 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1CN(CCF)C[C@@H]1O 1220492929 CPTQKGUABPZVKF-XQQFMLRXSA-N 301.362 -0.412 30 20 DBED C[C@@H](CC(C)(C)C)C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@@H]1O 1220493080 HNZLQCPFHLYMCN-XQQFMLRXSA-N 324.425 -0.140 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)[C@H](CC)OC)[C@@H]2C1 1221417411 QLVZBNYIGZKDKC-MCIONIFRSA-N 307.394 -0.307 30 20 DBED COCC#CCN1CC[C@@H]2CN(C(=O)c3cc(=O)n(C)o3)[C@@H]2C1 1221506369 ZIECYCCUKUDCRJ-CHWSQXEVSA-N 319.361 -0.226 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)CN2CCCC2=O)CC1 1225980802 ZYXAWDRMYVFONX-UHFFFAOYSA-N 322.409 -0.508 30 20 DBED COCC#CCN1CCC(NC(=O)c2cnn(C)c2N)CC1 1226951927 NLKMECVSVASUHS-UHFFFAOYSA-N 305.382 -0.154 30 20 DBED C=CCN1CCS(=O)(=O)[C@H](CCNC(=O)[C@@H]2CCCO2)C1 1230416340 GCJMTPXKTZUUKC-OLZOCXBDSA-N 316.423 -0.043 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)c1nccn1CC 1233915124 KEVQMXFWGQPGRE-CYBMUJFWSA-N 317.393 -0.201 30 20 DBED C#CCC[C@H](O)CNC(=O)C(=O)Nc1cccc(C(N)=O)c1C 1256561095 YLBKBFLLUMWSAU-NSHDSACASA-N 317.345 -0.077 30 20 DBED CCO[C@@H]1COCC[C@H]1NC(=O)C(=O)N1CCO[C@H](C#N)C1 1261083808 QTNOJFIDKAQGBN-IJLUTSLNSA-N 311.338 -0.952 30 20 DBED CCN1CCN(CCCNc2[nH]c(=O)n(C)c(=O)c2C#N)CC1 1262678827 PICVQEXVLUXYOK-UHFFFAOYSA-N 320.397 -0.615 30 20 DBED C#CCNC(=O)C1CCN(C(=O)CN2CCN(C)CC2)CC1 1321474578 SHDGUBVYQNNRJP-UHFFFAOYSA-N 306.410 -0.778 30 20 DBED COC[C@H](NC(=O)C(=O)N1CCO[C@H](C#N)C1)c1ccco1 1322936541 ZSHXDXMNJFDUDQ-MNOVXSKESA-N 307.306 -0.166 30 20 DBED C[C@@H](CNC(=O)C(=O)N1CCO[C@H](C#N)C1)CN1CCCC1 1327695587 HOWOWTQHYYSRKC-QWHCGFSZSA-N 308.382 -0.415 30 20 DBED COCC[C@@](C)(O)CNC(=O)C(=O)Nc1cccc(C#N)n1 1328223383 JQYLTWWGVOIFON-CQSZACIVSA-N 306.322 -0.205 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N(CCO)C2CCC2)nn1 1332041611 AKIAKILLNBHIHH-UHFFFAOYSA-N 307.354 -0.546 30 20 DBED C=CCOC[C@H](NC(=O)NCCN1CCSCC1)C(=O)O 1333318137 RTUVVFZDIUNVSE-NSHDSACASA-N 317.411 -0.010 30 20 DBED C#CCN(C)c1nnnn1CCCN(CC)S(C)(=O)=O 1334090812 NLHBUGFFKBPYSC-UHFFFAOYSA-N 300.388 -0.586 30 20 DBED C#CCN(C(=O)C(=O)N1CCN(CCOC)C(=O)C1)C(C)C 1336579404 SBLFTGQBRKOYQW-UHFFFAOYSA-N 309.366 -0.826 30 20 DBED C#CCNCC(=O)N1CCCN(CC(=O)N2CCCC2)CC1 1340155219 NEXMNUOTGOSBPY-UHFFFAOYSA-N 306.410 -0.634 30 20 DBED CNS(=O)(=O)C[C@H]1CCCN1C(=O)[C@@H](N)CCCC#N 1345485474 XODHWOWXLXLGBP-MNOVXSKESA-N 302.400 -0.452 30 20 DBED C=CCN(C(=O)C(=O)NCCOCCS(C)(=O)=O)C(C)C 1346698008 BAPMWHGZDSEYCF-UHFFFAOYSA-N 320.411 -0.413 30 20 DBED N#Cc1cn(CCC(=O)NCCc2cnccn2)c(=O)nc1O 1362415015 QFZKBRLIGCOFFK-UHFFFAOYSA-N 314.305 -0.640 30 20 DBED CN1CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)C(C)(C)C1 1362585531 CCCODRGMYXXWNU-UHFFFAOYSA-N 305.338 -0.627 30 20 DBED Cn1c(=O)[nH]c(N2CCC[C@H](Cn3ccnn3)C2)c(C#N)c1=O 1363730101 VCVJSUBCJYIEGH-JTQLQIEISA-N 315.337 -0.547 30 20 DBED N#Cc1cnn2c(O)cc(CN3CCOC[C@@H]3CC(N)=O)nc12 1365309369 CTAOCMUCBYRWCR-NSHDSACASA-N 316.321 -0.617 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C(=O)CCS(C)(=O)=O)C1CC1 1374311618 JQQORBFUMJOYHU-JTQLQIEISA-N 315.395 -0.312 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@](C)(NC(=O)CNC(=O)C2CC2)C1 1379629493 OYMTVNLRMQBFQT-ZUZCIYMTSA-N 306.366 -0.221 30 20 DBED C[C@@H](C#N)C(=O)NCC1CCN(C(=O)CS(C)(=O)=O)CC1 1385423148 UMPPCSATLCMHTB-JTQLQIEISA-N 315.395 -0.455 30 20 DBED CCC(=O)NCC(=O)N1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 1385830160 CGLMWOZHIYPAFH-NSHDSACASA-N 317.349 -0.257 30 20 DBED Cc1nn(CC(=O)N(C)C[C@H](C)NC(=O)[C@@H](C)C#N)c(=O)n1C 1395636914 IHFQZHHZNMALAA-UWVGGRQHSA-N 322.369 -0.987 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@@H](CNC(=O)CCn2cncn2)C1 1396512341 OHUONOCATSWSMP-SDDRHHMPSA-N 304.354 -0.161 30 20 DBED CCCS(=O)(=O)CC(=O)N[C@H]1CCN(C(=O)[C@@H](C)C#N)C1 1397157207 BEAABISKORDAHZ-QWRGUYRKSA-N 315.395 -0.312 30 20 DBED Cn1c(=O)[nH]c(NC[C@H]2COC3(CCOCC3)O2)c(C#N)c1=O 1413884495 DUTNEDQHGDBGMJ-VIFPVBQESA-N 322.321 -0.721 30 20 DBED CNC(=O)NCCC(=O)N1CC[C@@H](CN(C)C(=O)[C@H](C)C#N)C1 1415930273 DIYKRPKZFANXEW-NEPJUHHUSA-N 323.397 -0.228 30 20 DBED C[C@@H](C(=O)NC(N)=O)N(C)C1CCN(C(=O)[C@H](C)C#N)CC1 1422932400 MSUXUQLTOGEYHL-ZJUUUORDSA-N 309.370 -0.348 30 20 DBED C[C@@H](C#N)C(=O)N1CC([C@@H](C)NC(=O)CN2CCOCC2)C1 1424509384 OOWGYAJTOCDRRV-NWDGAFQWSA-N 308.382 -0.559 30 20 DBED C[C@@H](CNC(=O)[C@@H](C)C#N)NC(=O)c1ccc2nnnn2c1 1433572363 GGIHBMAQZXPZTJ-IUCAKERBSA-N 301.310 -0.482 30 20 DBED CCc1cc(C(=O)NCCn2cc(C#N)c(O)nc2=O)nn1C 1434205333 AQOYSTPEKDLBNB-UHFFFAOYSA-N 316.321 -0.454 30 20 DBED C[C@H](CNCC(=O)NC1CCOCC1)CNC(=O)[C@H](C)C#N 1438473425 CNPOZNDMPUCEDD-VXGBXAGGSA-N 310.398 -0.217 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)COc1ccccc1 1458043044 ZMECNLVNGUTFIG-VXGBXAGGSA-N 305.334 -0.182 30 20 DBED Cn1c(=O)[nH]c(NCC(C)(C)[C@]2(O)CCCOC2)c(C#N)c1=O 1458496212 SOXCUYOQFBJPFH-HNNXBMFYSA-N 322.365 -0.075 30 20 DBED CS(=O)(=O)NCCNC(=O)NCC1(C#N)CCOCC1 1527340267 GXRWCYLVBMBOOL-UHFFFAOYSA-N 304.372 -0.845 30 20 DBED C#CC[C@]1(C(=O)N[C@H](CO)[C@@H](O)c2ccccn2)CCCN1 1574517914 RRAAZHUTPVDPDN-IJEWVQPXSA-N 303.362 -0.262 30 20 DBED C[C@H]1CN(c2cnc(C#N)c(-c3nn[nH]n3)n2)CCS1(=O)=O 1580446782 LKENLMVBGWVQRR-ZETCQYMHSA-N 320.338 -0.848 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@H](O)CNc1ncc(C(=O)O)cn1 1588683607 AIZACSBSNDIINZ-QMTHXVAHSA-N 324.337 -0.609 30 20 DBED C=CCSCCNC(=O)C(=O)N1CCO[C@@H](CC(=O)O)C1 1588878784 IOASZZJWJNDGOA-JTQLQIEISA-N 316.379 -0.276 30 20 DBED C[C@H]1[C@H](C(=O)O)CCN1C(=O)C(=O)NC1CCN(CC#N)CC1 1594138712 NZHGICUKDULZGQ-CMPLNLGQSA-N 322.365 -0.588 30 20 DBED C[C@H](NC(=O)[C@H](C)NC(=O)Nc1ccn(CCC#N)n1)C(=O)O 1599899579 LONLLEVBZAJUEK-IUCAKERBSA-N 322.325 -0.104 30 20 DBED C#CCC1(O)CCN(C(=O)C(=O)N2CC[C@](C)(C(=O)O)C2)CC1 1602674682 AGHLQJCRXMLKBX-HNNXBMFYSA-N 322.361 -0.314 30 20 DBED CCN(CCC#N)C(=O)Cn1cncc(-c2nn[nH]n2)c1=O 1609223782 LVLILRZKENPBGG-UHFFFAOYSA-N 302.298 -0.814 30 20 DBED N#Cc1ccc(NCC(=O)N2C[C@@H](C(=O)O)C[C@@H](O)C2)nc1 1610629310 QKAWQEQSUXJWTP-WDEREUQCSA-N 304.306 -0.341 30 20 DBED CC(C)(C)n1nnc(C(=O)NCCN2CCN(CC#N)CC2)n1 1752366377 ZEMQZFSSLWUVNP-UHFFFAOYSA-N 320.401 -0.701 30 20 DBED C#CCCN1CCN(CCNC(=O)C(=O)NCC2CC2)CC1 1752374276 CEMZCJPPRHVXNY-UHFFFAOYSA-N 306.410 -0.730 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@@](C)(O)C=C 1752531970 HATZCGPNHYLIQY-VBQJREDUSA-N 319.405 -0.262 30 20 DBED C=CCNC(=O)[C@H](C)N[C@H](C)CNC(=O)Cn1cncc1C 1752887833 GZWUBNMLSIDSSJ-YPMHNXCESA-N 307.398 -0.023 30 20 DBED C=CCNC(=O)[C@H](C)N(C)CCNC(=O)[C@@H]1CC(=O)N(C)C1 1753051007 VHFTTZOKABPLLE-NWDGAFQWSA-N 310.398 -0.797 30 20 DBED C#CCNC(=O)[C@H](C)NCCN(C)C(=O)C(C)(C)CNC(C)=O 1753240364 PZQLZSCQOMASSX-LBPRGKRZSA-N 324.425 -0.665 30 20 DBED COCC#CCN1CC(NC(=O)[C@@]2(CC(C)C)CCNC2=O)C1 1753380363 RIGUAZFOTBKNNQ-QGZVFWFLSA-N 321.421 -0.011 30 20 DBED C=CCN1CC[C@@H](NC2(CNC(=O)[C@H](C)NC(C)=O)CC2)C1=O 1754507822 JWYZACJZVRRTQO-WCQYABFASA-N 322.409 -0.464 30 20 DBED C#CCN1CCC[C@@](C)(CNC(=O)c2nnc(O)nc2O)C1 1754735418 BQRAYABEGNOLGR-AWEZNQCLSA-N 305.338 -0.252 30 20 DBED N#CCNC[C@@H]1CN(C(=O)[C@H]2CCc3nccn3C2)CCO1 1755004362 GVSMRJGFFNPRJG-QWHCGFSZSA-N 303.366 -0.214 30 20 DBED C#CCNC(=O)CN[C@@H](C)[C@@H](C)NC(=O)c1cn(CCC)nn1 1755264929 ZVPYIVNSXDRIHO-NWDGAFQWSA-N 320.397 -0.466 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC(CCO)(NC(=O)c2ccc[nH]2)C1 1755329971 LXZAVXCLHPBEMV-GFCCVEGCSA-N 320.393 -0.128 30 20 DBED C=CCC1(C(=O)NC[C@@H](CO)NC[C@@H](C)O)CCOCC1 1755645854 WTRSLBWDJNWBAJ-OLZOCXBDSA-N 300.399 -0.193 30 20 DBED C#CCNC(=O)CN[C@@H]1C[C@H](C)N(C(=O)c2coc(OC)n2)C1 1755682920 ANZHDWBFDFHZOJ-WDEREUQCSA-N 320.349 -0.375 30 20 DBED COCC#CCNC[C@H](O)CN(C)C(=O)c1cc(C)nn1C 1755773390 POFHFPKGAZHFCS-ZDUSSCGKSA-N 308.382 -0.599 30 20 DBED CN(C[C@@H](O)CNCC(=O)NCC#N)C(=O)C(C)(C)C1CCC1 1755784166 IDRGRFUPJUXRBR-ZDUSSCGKSA-N 324.425 -0.139 30 20 DBED CC#CCCCC(=O)N1CCO[C@H]([C@@H](C)NC(=O)CC(N)=O)C1 1756221032 SMNSYEIYJYSYGK-OLZOCXBDSA-N 323.393 -0.213 30 20 DBED C=CCCC(=O)NC[C@@H](CO)NC(=O)[C@H]1CC(=O)N(CC)C1 1756518600 KEBYUINSRWMLHK-RYUDHWBXSA-N 311.382 -0.586 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H]1CC[C@@H](NC(=O)C(F)F)C1 1756634042 XRDZYPKMYJKMHP-NXEZZACHSA-N 315.320 -0.208 30 20 DBED CCCCOCC(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1756987561 ZBTKNHCSLODUFH-ZIAGYGMSSA-N 308.378 -0.096 30 20 DBED C=CCCn1cc(C(=O)N2C[C@H](O)[C@H](NC(=O)CCC)C2)nn1 1757150162 IPYOJFSEXCYJKK-YPMHNXCESA-N 321.381 -0.044 30 20 DBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3C[C@H]3F)C2)C1 1839809646 DXAFZHYHWVPXPJ-ZOWXZIJZSA-N 310.325 -0.566 30 20 DBED C=CCSCC(=O)N1CCCC12CN(C(=O)C(O)O)C2 1841882949 QXYQIPAJTIVHKO-UHFFFAOYSA-N 300.380 -0.580 30 20 DBED NCC(=O)N1CCCC12CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1842877316 FVKDDODOZRBQAB-VEJKBTLKSA-N 324.381 -0.323 30 20 DBED CC(C)(C#N)C(=O)N1CC2(CCCN2C(=O)C2=NNC(=O)C2)C1 1844222230 ZGDIYRNUISAQJJ-UHFFFAOYSA-N 317.349 -0.385 30 20 DBED N#Cc1ccc(CS(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)O)cc1 21053675 FOAJGYDYOQWFQJ-VXGBXAGGSA-N 310.331 -0.092 30 20 DBED Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCO[C@H](C(N)=O)C1 51892010 GLMUOXMTSJRKRM-LBPRGKRZSA-N 316.317 -0.482 30 20 DBED N#CC1(C(=O)N2CCN(CC(=O)NC3CC3)CC2)CCOCC1 109138620 RROIITLTOTWSBX-UHFFFAOYSA-N 320.393 -0.270 30 20 DBED C#CCNC(=O)CN1CCN(c2nccn(CC)c2=O)CC1 271403440 VVYJRVIVLOLJRY-UHFFFAOYSA-N 303.366 -0.865 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@]2(C)CCCNC2)C1=O 272945788 CUMAVOCTUIZMGM-HNNXBMFYSA-N 322.365 -0.531 30 20 DBED C#CCOc1ccccc1NC(=O)C(=O)NC[C@]1(O)CCOC1 274836141 AXWJYQGQXWAFTM-MRXNPFEDSA-N 318.329 -0.095 30 20 DBED COC[C@H](C)N/C(N)=N/CCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 304939390 MINFOEVIGCTHNA-JZRPKSSGSA-N 320.393 -0.267 30 20 DBED CN(C)c1nccc(C/N=C(/O)N2C[C@@H]3OCCN(C)[C@@H]3C2)n1 329395979 UGPPUAVOHMTSKS-OLZOCXBDSA-N 320.397 -0.029 30 20 DBED CN(C)C(=O)CC/N=C(/O)NC[C@H]1CCCN1S(C)(=O)=O 330417186 OZEZICTXFTXBJQ-SNVBAGLBSA-N 320.415 -0.608 30 20 DBED CC(C)NC(=O)CC/N=C(/O)NCC(=O)N1CCOCC1 330671756 CLGHFYYNOQJHCL-UHFFFAOYSA-N 300.359 -0.737 30 20 DBED C[C@H](O)C[C@H]1COCCN1/C(O)=N/CCCS(C)(=O)=O 331015204 XNKPKMCUXIRQBD-QWRGUYRKSA-N 308.400 -0.193 30 20 DBED COC(=O)[C@@H]1[C@@H](O)CCCN1CC(=O)N[C@@](C)(C#N)C1CC1 331961332 ZWMQNTGTEWTZMU-WHOFXGATSA-N 309.366 -0.207 30 20 DBED C[C@H]1CCCN(CCNS(=O)(=O)N2CCO[C@H](C#N)C2)C1 336908453 GFXOUOGANRULKJ-QWHCGFSZSA-N 316.427 -0.223 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N1CC[C@@H](S(C)(=O)=O)C1 337037515 IJHIUEYHQIHNTC-VHSXEESVSA-N 309.413 -0.558 30 20 DBED CC[C@H](C[C@@H](C)CO)NS(=O)(=O)N1CCO[C@@H](C#N)C1 337080834 XRMMACBSZBNOLX-UTUOFQBUSA-N 305.400 -0.158 30 20 DBED CCN(CCC#N)S(=O)(=O)N[C@H]1CCc2nc(C)nn2C1 337102268 WZWHHPDQXRJVHK-NSHDSACASA-N 312.399 -0.029 30 20 DBED C=CCOC[C@H](NC(=O)c1ccnc2c1nnn2C)C(=O)OC 338131131 ODHOAAJMTSCCSA-JTQLQIEISA-N 319.321 -0.163 30 20 DBED C=CC[C@H](C)NC(=O)CCS(=O)(=O)NCC(=O)NC(C)C 346202005 XNSLULFMXHNSPT-NSHDSACASA-N 319.427 -0.099 30 20 DBED COC(=O)C1(O)CCN([C@H](C)C(=O)NC2(C#N)CCC2)CC1 346520357 HXFNAYZEPJEWQV-LLVKDONJSA-N 309.366 -0.063 30 20 DBED C=CCOC[C@@H](NS(=O)(=O)N(C)CCC#N)C(=O)OC 360597574 LSKADQJOMMPISK-SNVBAGLBSA-N 305.356 -0.590 30 20 DBED COC(=O)C[C@H]1CN(S(=O)(=O)CC2(C#N)CC2)CCO1 361561624 BKFWYCUFNPUNGO-JTQLQIEISA-N 302.352 -0.116 30 20 DBED N#CC1(NC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CCC1 369013482 LJWNYRUQXBHUIX-CYBMUJFWSA-N 320.393 -0.270 30 20 DBED C=C(C)CN1CCC(NC(=O)C(=O)N2CCN[C@@H](C)C2)CC1 419726103 JNCPFVDQJMWGPZ-ZDUSSCGKSA-N 308.426 -0.037 30 20 DBED CCN(CC#N)S(=O)(=O)c1cnc2nc(O)nc(O)c2c1 487407562 ANRQSKZFCXBOGW-UHFFFAOYSA-N 309.307 -0.030 30 20 DBED C#CCN1CCN(C(=O)CN(C)CC2(O)CCOCC2)CC1 491037325 CZZRTNUAORBBRA-UHFFFAOYSA-N 309.410 -0.763 30 20 DBED C#C[C@H](C)N(C)C(=O)NCCNS(=O)(=O)Cc1ccon1 491673453 ZUVFJTIMUSUEBJ-JTQLQIEISA-N 314.367 -0.243 30 20 DBED COC(=O)c1ccc(N2CCN(S(C)(=O)=O)CC2)c(C#N)n1 516892362 IBNHEUVUUSPPPC-UHFFFAOYSA-N 324.362 -0.179 30 20 DBED CCC[C@H](C#N)NC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 525197608 BNDYVTWRTKELCH-JKKYPKHBSA-N 305.334 -0.043 30 20 DBED C=CCCOCCNC(=O)c1nc(N)nc(N2CCOCC2)n1 563814061 FCVWVBHLHFJILP-UHFFFAOYSA-N 322.369 -0.387 30 20 DBED C=CCOC[C@@H](NS(=O)(=O)N1C[C@H]2CC[C@H]1C2)C(=O)O 565301312 SGQBGFYFPHHJNM-GARJFASQSA-N 304.368 -0.039 30 20 DBED C=CC[C@@H](CO)CNC(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 579014732 FCRKOYPZXSGHOO-GHMZBOCLSA-N 305.400 -0.496 30 20 DBED COCCN(CCC#N)S(=O)(=O)NCCC1(CO)CC1 579253328 PVEFWMBXVUUDND-UHFFFAOYSA-N 305.400 -0.155 30 20 DBED CNC(=O)COc1ccc(NC(=O)NCC(=O)NCC#N)cc1 588244700 ZGBHVNFGKZHQPV-UHFFFAOYSA-N 319.321 -0.427 30 20 DBED Cn1cc(N2C[C@@H](C(=O)N3CCO[C@@H](C#N)C3)CC2=O)cn1 599370233 HOQUEQGJIQJIGG-JQWIXIFHSA-N 303.322 -0.476 30 20 DBED COC(=O)[C@@H](NS(=O)(=O)N1CCO[C@@H](C#N)C1)C(C)(C)C 619710082 CCZRCTOKWMWKDW-VHSXEESVSA-N 319.383 -0.367 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H]3COC[C@@H]32)C1=O 655403829 KXLAMIIRRTYADV-MNOVXSKESA-N 321.333 -0.399 30 20 DBED COCC#CCN1CCN(CC#CCOC)[C@@H](C(=O)N(C)C)C1 677818875 KMCPQIIAJSFKCM-MRXNPFEDSA-N 321.421 -0.640 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)CCCS(C)(=O)=O 731259367 RRSYLFKCYAUYKU-SECBINFHSA-N 320.367 -0.245 30 20 DBED C#CCN1CCN(C(=O)CN2CCNC(=O)[C@H]2C(C)C)CC1 748812096 DZNRXXDDYOCPQZ-OAHLLOKOSA-N 306.410 -0.780 30 20 DBED C[C@@H](CNc1cccc(S(N)(=O)=O)c1C#N)S(N)(=O)=O 755018510 DUHNJOKNTPRCIH-ZETCQYMHSA-N 318.380 -0.705 30 20 DBED C#C[C@H](NC(=O)C(=O)Nc1cncnc1N(C)C)[C@@H]1CCCO1 773793952 HIZAPTORMTZWCW-JQWIXIFHSA-N 317.349 -0.222 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N(CCS(C)(=O)=O)C1CC1 800089936 DYKPTTFDZYBRLK-JTQLQIEISA-N 323.440 -0.168 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCCC2(C1)OCCO2)[C@H]1CCCO1 809305557 FTJRACNFJUNVDI-QWHCGFSZSA-N 322.361 -0.351 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCN(C2CCC2)CC1)[C@H]1CCCO1 809307495 DREQNDZDPHZGGC-LSDHHAIUSA-N 319.405 -0.020 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)C2CC(F)(F)C2)CC1 831565754 ZHBSUERIFREZSB-UHFFFAOYSA-N 321.349 -0.357 30 20 DBED COC(=O)Cc1ccccc1CNC(=O)NCC(=O)NCC#N 847370787 AXSCFWXQXXSCJE-UHFFFAOYSA-N 318.333 -0.159 30 20 DBED S=C(NCCN1CCOCC1)NN=Cc1cnc2n1CCC2 853263570 QSSMFFXZXPCFJJ-UHFFFAOYSA-N 322.438 -0.041 30 20 DBED C#CC[C@H](CO)NC(=O)[C@@H]1CC(=O)N(C[C@@H]2CCCN2CC)C1 854545695 OFTAVAMKPNGTAU-KFWWJZLASA-N 321.421 -0.180 30 20 DBED C#CC[C@H](CCOC)NC(=O)N[C@H]1CS(=O)(=O)C[C@H]1OC 859018466 VOPHGIKDYNMTNP-GRYCIOLGSA-N 318.395 -0.474 30 20 DBED C#CCN1CCC[C@@H](NC(=O)NC[C@@H](C)S(C)(=O)=O)C1 884236650 AZFUJFKMYTWDKR-VXGBXAGGSA-N 301.412 -0.184 30 20 DBED CN(CCO)CCNS(=O)(=O)c1ccc(C#N)cc1F 885805669 WORUPPBQGKSVLY-UHFFFAOYSA-N 301.343 -0.100 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N1CC(N2CCCC2=O)C1 894123567 ANPQJBXFPBYGKI-UHFFFAOYSA-N 315.395 -0.397 30 20 DBED C=CCC1(O)CCN(c2nc3c(=O)n(C)c(=O)n(C)c3[nH]2)CC1 895230998 TXVADNHWUXRFAR-UHFFFAOYSA-N 319.365 -0.132 30 20 DBED C#CC1(O)CN(S(=O)(=O)c2ccccc2Cn2cncn2)C1 908227669 FSOCPVIITCIFHE-UHFFFAOYSA-N 318.358 -0.305 30 20 DBED C#CCCN1CCN(C(=O)CN2CCC[C@@H](C(=O)O)C2)CC1 911252776 WROJKVBNVJUZKZ-CQSZACIVSA-N 307.394 -0.050 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)Cc2cn(CC)nn2)CC1 929567647 LLKAFUYVVDPYAU-UHFFFAOYSA-N 320.397 -0.713 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)C2(C(C)C)COC2)CC1 931874469 JFLHOASULNZFOM-UHFFFAOYSA-N 307.394 -0.447 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)COC)C1 936377588 MRQDGLOQKIGJIZ-KGLIPLIRSA-N 307.394 -0.210 30 20 DBED C[C@@H](C#N)C(=O)N1CCCN(C(=O)CS(C)(=O)=O)CC1 940422122 PAWWWXCYAYOHJE-JTQLQIEISA-N 301.368 -0.748 30 20 DBED C[C@H](C#N)C(=O)N1CCCN(C(=O)CCc2cnn(C)n2)CC1 942153279 UWIMAANLTUHACN-GFCCVEGCSA-N 318.381 -0.032 30 20 DBED C#CCCN1CC[C@H](NC(=O)Cn2nc(C)n(C)c2=O)C[C@@H]1C 947986474 WSWQWBPZDRDTSE-JSGCOSHPSA-N 319.409 -0.117 30 20 DBED C#CCN1CC[C@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)C[C@@H]1C 947998711 NHOWCHYOGJGDPX-RYUDHWBXSA-N 320.393 -0.081 30 20 DBED N#Cc1cc(C(=O)N2CC[C@H]2CNC(=O)[C@H]2COC(=O)N2)c[nH]1 949690731 QICSORCQZQCOHN-WDEREUQCSA-N 317.305 -0.675 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2CCN2C(=O)[C@@H]2CCOC2)nn1 950052863 NMLCWFYMRHYVIY-NEPJUHHUSA-N 319.365 -0.169 30 20 DBED C=CCN1CC[C@@H](N2CC(N(CC)C(=O)c3nc[nH]n3)C2)C1=O 956980003 MWGDOMBJPDGXJV-GFCCVEGCSA-N 318.381 -0.262 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2CN(CCOC)C[C@H]2O)nc1 958592492 QWPZNUGHLKEKCJ-UKRRQHHQSA-N 303.362 -0.268 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CN(C(=O)COC)C[C@@H]1O 958968725 TYNJLNJXEKHBFA-VOAKCMCISA-N 312.366 -0.746 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cc[nH]n2)C1 961669942 QBNCCZWLERYMTJ-XEZLXBQYSA-N 320.349 -0.698 30 20 DBED C#CCN1C[C@H]2C(NC(=O)c3ccccc3-n3cnnn3)[C@@H]2C1 962513204 ZJZUMULSYXJDND-CHWSQXEVSA-N 308.345 -0.045 30 20 DBED C#CCNC1CCC(N(C)C(=O)Cn2ccc(O)nc2=O)CC1 963632758 ILVSFJZWGYZJBU-UHFFFAOYSA-N 318.377 -0.059 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@@H](N[C@@H]3CCCNC3=O)C2)[nH]1 968441779 GMXWYNVZDZUICU-VXGBXAGGSA-N 301.350 -0.031 30 20 DBED C=C(C)CN1CCO[C@]2(CCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)C1 972555304 XDRXAICOUHFFGC-DVOMOZLQSA-N 307.394 -0.013 30 20 DBED C=C(C)CN1C[C@H](NC(=O)Cn2ncn(C)c2=O)C(C)(C)C1 974753696 FWXKZLUTZYSQKV-LBPRGKRZSA-N 307.398 -0.016 30 20 DBED C#CCN1C[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C(C)(C)C1 975113894 MVBVRHRUVVBIMG-LBPRGKRZSA-N 318.377 -0.843 30 20 DBED C=CCn1cc(C(=O)NCC2[C@H]3CN(CCCO)C[C@H]23)nn1 978823340 ZKIQUEGBYQTKST-CHWSQXEVSA-N 305.382 -0.246 30 20 DBED C[C@H](NCc1nnn(C)n1)[C@H]1CN(C(=O)C#CC2CC2)CCO1 979332145 KZAXTEBWBHBSDU-WCQYABFASA-N 318.381 -0.671 30 20 DBED N#Cc1c[nH]c(C(=O)N2C[C@@H]3CC[C@@H](NC(=O)C(N)=O)[C@H]3C2)c1 979768629 FLPSSEYUHPUSMT-GARJFASQSA-N 315.333 -0.662 30 20 DBED C#CCN1CCCN(C(=O)[C@H]2CCc3nnnn3CC2)CC1 982003457 WVYMUGLKOKDMGS-ZDUSSCGKSA-N 302.382 -0.207 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(CC1)C[C@@H](C)N(C(=O)C(N)=O)C2 982264503 YKRDXYFHIXMCPH-WDEREUQCSA-N 306.366 -0.139 30 20 DBED C[C@@H]1[C@@H](NCC#N)CCN1C(=O)c1coc(S(N)(=O)=O)c1 986435977 DQYYRJPMPAXXNI-SCZZXKLOSA-N 312.351 -0.357 30 20 DBED C[C@H]1[C@@H](NCC#N)CCN1C(=O)CN1C(=O)NC(C)(C)C1=O 987459246 KFTDBRRWUQARAU-UWVGGRQHSA-N 307.354 -0.581 30 20 DBED C=CCN[C@H]1C[C@@H](C)N(C(=O)CN2CCS(=O)(=O)CC2)C1 989788341 FCJVVGFAXGVTSQ-OLZOCXBDSA-N 315.439 -0.518 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)CN2CCCC2=O)C1 990197569 XXOYILQZKMRHTP-OLZOCXBDSA-N 321.377 -0.473 30 20 DBED CC#CCN1CC[C@]2(NC(=O)CN3CCOCC3=O)CCC[C@H]12 991088433 LRPJMMIKUMXYEX-WMLDXEAASA-N 319.405 -0.018 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](C)[C@H](CNC(=O)c2nnn(C)n2)C1 994460569 QCGHVUCBXFXKTN-IVZWLZJFSA-N 305.342 -0.806 30 20 DBED N#CCNC1CCN(C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)CC1 996500086 BTTBRACNURQXDL-LLVKDONJSA-N 316.365 -0.133 30 20 DBED O=C(NC1CN(C(=O)C#CC2CC2)C1)[C@@H]1OC[C@@H]2COCC[C@@H]21 997640323 MSMGWJOSGLJMLL-DUVNUKRYSA-N 318.373 -0.222 30 20 DBED CN(C(=O)c1cc(=O)n2[nH]cnc2n1)C1CC(NCC#N)C1 999682955 UHLXBWIOUXAYHR-UHFFFAOYSA-N 301.310 -0.866 30 20 DBED C[C@H]1CCN(C(=O)C(N)=O)C[C@@H]1NC(=O)c1c[nH]c(C#N)c1 1004745390 QNCORPNLKJMSQB-KWQFWETISA-N 303.322 -0.662 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCCN(C(=O)[C@@H]3CNC(=O)N3)C2)C1 1010829032 CTSCFXKYDWBXJH-QWRGUYRKSA-N 319.365 -0.722 30 20 DBED C#Cc1cncc(C(=O)N2CCN(C(=O)c3cnn[nH]3)CC2)c1 1011444746 OQLUZZKJBDGJDT-UHFFFAOYSA-N 310.317 -0.221 30 20 DBED C[C@@H]1C[C@@H](NC(=O)Cn2ncnn2)CN1C(=O)C#CC1CC1 1012592000 YFWGWLYOSNYCCE-ZYHUDNBSSA-N 302.338 -0.808 30 20 DBED C#Cc1cncc(C(=O)N[C@H]2CCCN(C(=O)C(N)=O)[C@@H]2C)c1 1015213250 LVLHXCRLGILSQC-MFKMUULPSA-N 314.345 -0.343 30 20 DBED C#CCOc1ncccc1C(=O)N[C@@H]1CCN(CC(N)=O)C1 1016014563 ZFUKRMJDGZMHLJ-LLVKDONJSA-N 302.334 -0.617 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NCC1=CCN(C(=O)C(N)=O)CC1 1017486069 FVTUIELRXZBYJI-OLZOCXBDSA-N 321.377 -0.272 30 20 DBED CN1CC[C@@H](N[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1=O 1018678556 BSDPNCAAPJVSRJ-NWDGAFQWSA-N 301.350 -0.079 30 20 DBED O=C1N[C@H](C(=O)N2C[C@@H]3CCN(C(=O)C#CC4CC4)[C@@H]3C2)CO1 1021589561 ZCLUMOGKNDETRV-RWMBFGLXSA-N 317.345 -0.433 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]2CN(C(=O)C(C)(C)C(N)=O)C[C@H]21 1022568794 XVIYMWRYUOBRJN-OUAUKWLOSA-N 306.366 -0.283 30 20 DBED N#CCN1CCCC[C@H]1CNC(=O)c1nccnc1C(N)=O 1024790346 GIGRENYTXFSOLG-JTQLQIEISA-N 302.338 -0.317 30 20 DBED C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2cn(CC(N)=O)nn2)C1 1025630472 UIKLJEBCGLBFHI-NWDGAFQWSA-N 318.381 -0.773 30 20 DBED C=CCN(C)[C@H]1CCCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 1027683147 DFTUBWUGZJORJX-NWDGAFQWSA-N 301.412 -0.213 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCC[C@H](N[C@@H]2CCNC2=O)C1 1030019203 OBYFFZGGRRSUKY-ZNMIVQPWSA-N 318.421 -0.447 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NC1CN(Cc2nnn(C)n2)C1 1030333202 APTBISKQKSXVBN-NEPJUHHUSA-N 306.370 -0.508 30 20 DBED C=CCn1cc(C(=O)NC2CN(Cc3nonc3C)C2)nn1 1031069875 DFQQYBLVXGRAGL-UHFFFAOYSA-N 303.326 -0.230 30 20 DBED C=CCN1CC[C@@H](N2CC(CNC(=O)c3cc[nH]n3)C2)C1=O 1031555938 AAVJZDNMHUKVTH-CYBMUJFWSA-N 303.366 -0.142 30 20 DBED C#CCCN1CC(CNC(=O)C2CC3(C2)NC(=O)NC3=O)C1 1032048230 VNUVRERXILLMGK-UHFFFAOYSA-N 304.350 -0.954 30 20 DBED COCCn1nc(C(=O)N(C)[C@H]2CCN(CC#N)C2)ccc1=O 1033248177 WVPMNMBBXZDRMH-LBPRGKRZSA-N 319.365 -0.440 30 20 DBED C#CCN1CCC2(CCN(C(=O)CN3C(=O)CNC3=O)CC2)C1 1035253633 QXFLNQWZNSJLPF-UHFFFAOYSA-N 318.377 -0.514 30 20 DBED CC(C)N1C[C@H](C(=O)NC[C@H]2CN(CC#N)CCO2)CC1=O 1035392810 WSXGKVPTPQNMCB-OLZOCXBDSA-N 308.382 -0.416 30 20 DBED C=CCN1CC[C@@H]2CN(C(=O)Cn3c(O)nnc3O)CC[C@@H]21 1036879396 MUKYJYLRQVPCEH-MNOVXSKESA-N 307.354 -0.202 30 20 DBED C=C(C)CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)Cn1c(O)nnc1O 1037698979 JGUUSMZNORMLEW-JFGNBEQYSA-N 307.354 -0.156 30 20 DBED N#Cc1ccc(CN2CC[C@H]2CNC(=O)[C@H]2CNC(=O)N2)s1 1038654085 GVJBPEKCCIBQCY-JOYOIKCWSA-N 319.390 -0.008 30 20 DBED C=CCO[C@@H](C)C(=O)NC[C@@]1(O)CCN(C(=O)c2ncc[nH]2)C1 1040161981 RRHYKEZZZRJTDJ-NHYWBVRUSA-N 322.365 -0.306 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2CCNC2=O)C1 1040482992 WSHMNDZIPORLAE-BDJLRTHQSA-N 323.393 -0.586 30 20 DBED C#CCOCCC(=O)N1CC[C@@](O)(CNC(=O)[C@H](F)CC)C1 1040556023 DKOMIXSZCVUCJZ-IUODEOHRSA-N 314.357 -0.146 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)C2(CN(C)C)CC2)C1 1040715575 YYGAAMWGOMTTBA-MLGOLLRUSA-N 322.409 -0.433 30 20 DBED CCn1ccnc1C(=O)N1CC[C@](O)(CNC(=O)[C@H](C)C#N)C1 1040759931 DXFODCYIQZRMKB-ABAIWWIYSA-N 319.365 -0.244 30 20 DBED Cn1nnc(C(=O)N2CC[C@H]3CN(c4ccncc4C#N)C[C@H]32)n1 1040782333 LCZJMCAGFHQITF-GXFFZTMASA-N 324.348 -0.172 30 20 DBED C=CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)c2cnn(C)c2)C1 1041416591 UVAUODKXXGMSDB-LLVKDONJSA-N 322.365 -0.686 30 20 DBED C=CC(C)(C)CC(=O)N1CC(O)(CNC(=O)[C@H]2CCC(=O)N2)C1 1042071104 IPNVNEKANDXWBQ-LLVKDONJSA-N 323.393 -0.443 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)C2CC(F)(F)C2)C1 1042460423 MJUHCMWOUXBQPI-MRVPVSSYSA-N 301.293 -0.119 30 20 DBED CN(C(=O)c1ccc(C#N)[nH]1)C1CN([C@@H]2CCC(=O)NC2=O)C1 1042628340 GKCDLWOXILLZDR-GFCCVEGCSA-N 315.333 -0.552 30 20 DBED C=CCN1CC[C@H](N2CC(N(C)C(=O)c3ncn(C)n3)C2)C1=O 1042688628 GSWAOMRRWJKAQU-LBPRGKRZSA-N 318.381 -0.642 30 20 DBED O=C(C#CC1CC1)NCC1(O)CN(C(=O)c2csc(O)n2)C1 1042964648 LYQAKZFEYXERTH-UHFFFAOYSA-N 321.358 -0.435 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)Cc2cncs2)C1 1043476460 WBXFXTBSAQNMQY-VIFPVBQESA-N 308.363 -0.465 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)[C@H]2CCCNC2=O)C1 1043478334 OFZSAWGNFYLJHI-NSHDSACASA-N 309.366 -0.832 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(O)(CNC(=O)c2cncn2C)C1 1043750241 KMJLWKSNKRUPHA-CQSZACIVSA-N 322.365 -0.950 30 20 DBED C#Cc1cncc(C(=O)N(C)C2CN(Cc3nc(O)n[nH]3)C2)c1 1043821443 IFERGZOLBLLZLG-UHFFFAOYSA-N 312.333 -0.157 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)C(C)(C)C=C)C1 1044475617 WHXOFDXENARCQB-GFCCVEGCSA-N 308.378 -0.074 30 20 DBED CC1CCN(CC(=O)N2CC(O)(CNC(=O)[C@@H](C)C#N)C2)CC1 1045546818 RKGCGIHJYNSHRN-ZDUSSCGKSA-N 322.409 -0.433 30 20 DBED C[C@@]1(C(=O)N2CCN([C@@H]3CCN(CC#N)C3)CC2)CCC(=O)N1 1046060872 GXSMIEWZEDXBIO-CJNGLKHVSA-N 319.409 -0.603 30 20 DBED N#CCN1CC[C@H](N2CCN(C(=O)Cn3ccnc3)CC2)C1 1046088119 FWKUCMGYAFJOTO-AWEZNQCLSA-N 302.382 -0.375 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)c2n[nH]cc2F)C1 1046206390 JQUSMPXEAULMHE-UHFFFAOYSA-N 308.313 -0.345 30 20 DBED C=C1CC(C)(C(=O)NCC2(O)CN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C2)C1 1046311521 DIHUUZKTICLXDM-ITGUQSILSA-N 320.389 -0.075 30 20 DBED CN(C(=O)c1ccc(NC(N)=O)cc1)[C@H]1CN(CC#N)C[C@@H]1O 1047618956 WGFVTBVLVFDRHG-STQMWFEESA-N 317.349 -0.182 30 20 DBED C[C@@H](C(N)=O)N1C[C@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2C1 1048750247 VJXCHWFAOBHNEY-ZMLRMANQSA-N 301.350 -0.236 30 20 DBED Cn1nnc2c(C(=O)N3C[C@@H]4CN(CC#N)C[C@@H]4C3)ccnc21 1049011712 YGZAVINTELFQOX-PHIMTYICSA-N 311.349 -0.109 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H]2[C@@H]1CCN2Cc1nnnn1C 1049382874 PIMUVWRFXORDDM-UTUOFQBUSA-N 303.370 -0.065 30 20 DBED N#CCN1CC[C@H]2[C@H]1CCCN2C(=O)CN1CCOCC1=O 1049521078 FSAUSBHMMIOZJN-OLZOCXBDSA-N 306.366 -0.566 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)[C@@H]1CCN(C(=O)C(F)F)C1 1049656992 NRTSFHCOLNLXJI-VHSXEESVSA-N 315.320 -0.256 30 20 DBED C=CCN1CCOC[C@@H]1CNC(=O)c1ccc2nn[nH]c2n1 1050946337 AQTXLRLDVHAECG-JTQLQIEISA-N 302.338 -0.031 30 20 DBED CC#CCN1CCOC[C@H]1CNC(=O)c1cnn(CCOC)c1 1051228286 FSMGAJNLDCHDHQ-OAHLLOKOSA-N 320.393 -0.017 30 20 DBED C=CCN1CCN([C@H]2CCN(C(=O)Cn3cnnc3O)C2)CC1 1052016534 XPRYGOOCMRJNTD-ZDUSSCGKSA-N 320.397 -0.612 30 20 DBED C[C@]1(C(=O)N2CC[C@@H](N3CCN(CC#N)CC3)C2)CNC(=O)C1 1052057183 MSWWVVAMLXTBAZ-CZUORRHYSA-N 319.409 -0.745 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)[C@H]1CCCCC(=O)N1)CCO2 1053421045 AZNILPZEGYAFMB-CQSZACIVSA-N 319.405 -0.018 30 20 DBED N#CCN1CC2(C1)CN(C(=O)[C@@H]1CCc3nncn3C1)CCO2 1053541442 YSWFGEUBQMBLHI-GFCCVEGCSA-N 316.365 -0.723 30 20 DBED C#CCN1CC2(CC[C@H](CNC(=O)[C@@H]3CCN(C)C(=O)C3)O2)C1 1053619876 YSAUAQJUYPMVDG-ZIAGYGMSSA-N 319.405 -0.162 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)c3coc(C(N)=O)c3)CO2)C1 1053880170 KTEJCZJDEDVBSO-LBPRGKRZSA-N 317.345 -0.025 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@](CO)(NC(=O)c2nc[nH]n2)C1 1056045982 WMSMVLCIEIQGOF-ZANVPECISA-N 306.326 -0.952 30 20 DBED C=CCOCC(=O)N1CCC[C@](CO)(NC(=O)[C@@H](C)C#N)C1 1056092423 AHTOBHBUAJGUAH-WFASDCNBSA-N 309.366 -0.182 30 20 DBED C[C@H](C#N)C(=O)N[C@@]1(CO)CCCN(C(=O)c2cnccn2)C1 1056094053 PLWKZSXPYVLOKC-ABAIWWIYSA-N 317.349 -0.280 30 20 DBED Cc1n[nH]cc1C(=O)N1CCC[C@](CO)(NC(=O)[C@@H](C)C#N)C1 1056097839 WEUURQPZOLBZIM-BONVTDFDSA-N 319.365 -0.039 30 20 DBED N#Cc1cncc(N2C[C@H]3[C@H](NC(=O)Cn4ccnc4)[C@H]3C2)n1 1056246128 QRWUIMOHLQMJTJ-JYAVWHMHSA-N 309.333 -0.204 30 20 DBED N#CCSCC(=O)N1CCC[C@H]2CN(C(=O)C(N)=O)C[C@H]21 1056606529 VXGCNFSWRZUZPK-VHSXEESVSA-N 310.379 -0.822 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)CN1CCCC1=O 1056933370 YSELCVOTFJOZBV-UHFFFAOYSA-N 323.393 -0.795 30 20 DBED Cc1cnn(CC(=O)N(CCO)CCNC(=O)[C@H](C)C#N)c1 1057116257 WARHTTUJBVVTER-GFCCVEGCSA-N 307.354 -0.712 30 20 DBED C=CC(C)(C)C(=O)NCCN(CCO)C(=O)[C@H]1CCC(=O)N1 1057204137 LSDRSMOTGXPYNN-LLVKDONJSA-N 311.382 -0.586 30 20 DBED N#Cc1nc(=NC2CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)cc[nH]1 1057350736 WMOAAJXCQOVOER-NSHDSACASA-N 314.349 -0.548 30 20 DBED N#Cc1cncc(N[C@H]2CCCN(C(=O)[C@@H]3COC(=O)N3)C2)n1 1057631099 JKIOEBPRGZMRDD-ONGXEEELSA-N 316.321 -0.140 30 20 DBED N#Cc1cnc(N[C@H]2C[C@@H](NC(=O)[C@@H]3CCC(=O)NC3)C2)cn1 1059878612 ANQATJWYUJDPBQ-MXWKQRLJSA-N 314.349 -0.066 30 20 DBED CC(=O)N(C)CC(=O)NC[C@H]1COCCN1C(=O)C#CC(C)C 1061323594 RVUXGHFARGSINT-AWEZNQCLSA-N 323.393 -0.532 30 20 DBED C=CC(C)(C)C(=O)NC[C@@H]1COCCN1C(=O)Cn1ncnn1 1061752873 MGWRGKNMGLTDCO-LLVKDONJSA-N 322.369 -0.771 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)CCc1ncc[nH]1 1061848405 QOTYSIUGHKYNQV-RYUDHWBXSA-N 319.365 -0.154 30 20 DBED CN(C(=O)[C@H]1CNC(=O)N1)[C@@H]1CCN(c2cncc(C#N)n2)C1 1063025182 RTIGKQKJMHBYOA-GHMZBOCLSA-N 315.337 -0.933 30 20 DBED C=CCOCC(=O)N1CCO[C@@H](CNC(=O)C#CC2CC2)C1 1064970961 SZUXMWZUQDIEQM-AWEZNQCLSA-N 306.362 -0.054 30 20 DBED C=CCOCC(=O)N1CCO[C@H](CNC(=O)c2ccnn2C)C1 1064976238 HAOBKTVLMISILS-GFCCVEGCSA-N 322.365 -0.420 30 20 DBED CN1CCC[C@H]1C(=O)N1CCO[C@H](CNC(=O)C#CC2CC2)C1 1064977230 CYQYEEOZXNKAPM-CABCVRRESA-N 319.405 -0.162 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CCCN(C(=O)CCOC)CC1 1066072839 AZXBNWGOZDHQPZ-ZDUSSCGKSA-N 323.393 -0.340 30 20 DBED COC(=O)NCC(=O)N1CCC[C@H](NC(=O)[C@H](C)C#N)CC1 1066474134 CJJMUKAFXSHNSR-MNOVXSKESA-N 310.354 -0.001 30 20 DBED N#Cc1cccnc1N[C@@]1(CO)CCCN(C(=O)C(N)=O)C1 1066920779 ZYAPZRUHHGBBDA-AWEZNQCLSA-N 303.322 -0.796 30 20 DBED C=CCCC(=O)N(C)CCCN(C)C(=O)CN1CC(=O)NC1=O 1066986225 WWDGGDALENMNQB-UHFFFAOYSA-N 324.381 -0.189 30 20 DBED N#Cc1ccc(N2C[C@H](CNC(=O)c3nc[nH]n3)[C@@H](O)C2)nc1 1067675374 APYLZFCZOVPFGI-QWRGUYRKSA-N 313.321 -0.702 30 20 DBED N#Cc1cccnc1N1C[C@H](CNC(=O)c2cnn[nH]2)[C@@H](O)C1 1067698603 ZRJHQPNPKDBKGR-JQWIXIFHSA-N 313.321 -0.702 30 20 DBED N#Cc1cnc(NCC2CC(NC(=O)[C@@H]3COC(=O)N3)C2)cn1 1067845830 IOGINKATMBWMLR-AMUVOQDHSA-N 316.321 -0.237 30 20 DBED N#Cc1nc(=NC[C@H]2C[C@H](NC(=O)Cn3cccn3)C2)cc[nH]1 1068453635 TWRSRVFMMSWNGI-HAQNSBGRSA-N 311.349 -0.026 30 20 DBED C=CCOCC(=O)N1CC2(C[C@H](NC(=O)c3cn[nH]c3)CO2)C1 1068715987 WZGVTCOHGLMNJW-LBPRGKRZSA-N 320.349 -0.288 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)c2cncn2C)CCOCC1 1070232063 BNMFYOAZASCVDJ-LLVKDONJSA-N 319.365 -0.025 30 20 DBED C#CCCN1Cc2cnn(C3CCN(C(=O)C(N)=O)CC3)c2C1 1070349134 VESVPMVNMBXFNF-UHFFFAOYSA-N 315.377 -0.129 30 20 DBED CC#CCN1C[C@H]2C[C@H]3CN(C(=O)c4ncn(C)n4)C[C@@]3(C1)O2 1070795412 SUZDLXFZHNLMCE-WOSRLPQWSA-N 315.377 -0.246 30 20 DBED C#CCCN1C[C@H]2C[C@H]3CN(C(=O)Cn4cncn4)C[C@@]3(C1)O2 1070887464 LJXHCTGPFIHVJG-SQWLQELKSA-N 315.377 -0.397 30 20 DBED N#CCN1CCNC(=O)CCN(C(=O)[C@@H]2C[C@H]3C=C[C@H]2O3)CC1 1070975761 ZRFKLELEXYBXIV-MGPQQGTHSA-N 318.377 -0.496 30 20 DBED C[C@H]1CN(C(=O)Cn2nccn2)C[C@@H]1NC(=O)CSCC#N 1072183503 JVMUNCPOGMSJRL-QWRGUYRKSA-N 322.394 -0.502 30 20 DBED C#CCCCC(=O)N[C@H]1CN(C(=O)CCn2cnnn2)C[C@H]1C 1072599036 FATWVXXBBMNBJW-OLZOCXBDSA-N 318.381 -0.170 30 20 DBED C#CCOCCC(=O)N1CCC(C)(NC(=O)CNC(C)=O)CC1 1073024976 CWJODOQSCMGQJM-UHFFFAOYSA-N 323.393 -0.340 30 20 DBED CC(=O)N1CCC[C@@H](C(=O)NC[C@@H]2CN(CC#N)CCCO2)C1 1073684675 XJAAWCBSALQVKA-HUUCEWRRSA-N 322.409 -0.024 30 20 DBED C=CCOCC(=O)N1CC[C@@H](NC(=O)c2nc[nH]n2)[C@@H](C)C1 1074107210 NLFXQSOPGRNLLI-WDEREUQCSA-N 307.354 -0.026 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)c3cn(C)c(O)n3)C[C@H]21 1074332508 YUMMDIQJPGTUIM-CHWSQXEVSA-N 304.350 -0.326 30 20 DBED N#CCN[C@H]1CCO[C@H](C2CCN(C(=O)CC(N)=O)CC2)C1 1075388953 VJPHDFZXZUEKQY-STQMWFEESA-N 308.382 -0.239 30 20 DBED C=CCn1cc(C(=O)N[C@@H](C)CCNC(=O)CNC(C)=O)nn1 1075425115 KDOOAWYBNSYATN-JTQLQIEISA-N 322.369 -0.775 30 20 DBED C=CCO[C@H](C)C(=O)NCC[C@H](C)NC(=O)CNC(N)=O 1077066684 VHPOFHSULUYROK-VHSXEESVSA-N 300.359 -0.743 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)c2ccnn2CCOC)C1 1077196746 JBKICXMFDILXKE-TZMCWYRMSA-N 308.382 -0.120 30 20 DBED C[C@@H](CCNC(=O)C(=O)NCC(F)F)NC(=O)[C@@H](C)C#N 1077223016 NFSSVYWHASOBBV-YUMQZZPRSA-N 304.297 -0.462 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN(C(C)=O)C2)C1 1077333608 MMEXQKBIQFZBNM-RBSFLKMASA-N 309.410 -0.018 30 20 DBED C=CCOCC(=O)N1CC(N(CC)C(=O)c2ncn(C)n2)C1 1079715361 DYNSYNAWPDBJFY-UHFFFAOYSA-N 307.354 -0.309 30 20 DBED C#CCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)c2[nH]nnc2C)C1 1079774703 JNVXEUYQEHDKAW-NSHDSACASA-N 319.365 -0.176 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)CCCC(N)=O)C1 1080030355 DDBZFFFSRWVWJL-LBPRGKRZSA-N 323.393 -0.260 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@H]1CN2CC3CC2(CO1)C3 1080164636 KRHWNKQFWYSOAU-AYVTUFRQSA-N 304.394 -0.190 30 20 DBED CCC(=O)NCC(=O)N1CCC(CO)(NC(=O)[C@H](C)C#N)CC1 1080979803 BECFZANSBHGHES-LLVKDONJSA-N 324.381 -0.858 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)c2ccc(O)nn2)C[C@@H]1O 1081332959 NCHNYRHCNSXNQA-PWSUYJOCSA-N 320.349 -0.303 30 20 DBED C=C1CCC(C(=O)N2C[C@H](O)[C@H](CNC(=O)CC(N)=O)C2)CC1 1081367909 IHRWJYLVEFFABG-OLZOCXBDSA-N 323.393 -0.456 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)c2ncccn2)C[C@@H]1O 1081438391 BWIZVHSRNISANV-STQMWFEESA-N 316.361 -0.171 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)Cc2cnoc2)C[C@@H]1O 1081438692 FZBWCVJTJXLFMM-KBPBESRZSA-N 319.361 -0.044 30 20 DBED C=C(C)CCC(=O)NC[C@@H]1CN(C(=O)c2cnn[nH]2)C[C@@H]1O 1081533911 QAIZAEXWIIQUDQ-PWSUYJOCSA-N 307.354 -0.290 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cnn[nH]2)C1 1081589790 IPFSFZGWVNWCTB-PWSUYJOCSA-N 305.338 -0.987 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@H](CNC(=O)Cc2cnoc2)C1 1081680113 SNYDHRGMTOPVCU-KGLIPLIRSA-N 319.361 -0.188 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CCc1nc(C)no1 1083158157 KVAMLYRQVVMEQS-QWHCGFSZSA-N 304.350 -0.145 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cnn(C)c1OC 1083259996 BTSZBXISBREZRJ-UONOGXRCSA-N 318.377 -0.023 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2c(F)cccc2NC(N)=O)C1 1083821760 AEOZCLNAGVFXOR-NEPJUHHUSA-N 320.324 -0.276 30 20 DBED Cn1nnc(C(=O)N[C@@H]2CN(CC#N)C[C@@H]2O)c1C(F)(F)F 1083843766 YKHXNMVGBHJDIP-RQJHMYQMSA-N 318.259 -0.868 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2ccc(NC(=O)NC)cc2)C1 1084105891 ZVZMFZTWRAJCOO-KGLIPLIRSA-N 316.361 -0.154 30 20 DBED CC#CCN1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@H]1CC 1087578107 BARIWZAXQLLEHA-NWDGAFQWSA-N 318.381 -0.631 30 20 DBED N#CCN1CC[C@@H]2CN(C(=O)[C@@H]3CCCS3(=O)=O)C[C@@H]2C1 1088206424 QHCJTPJRJLTSGE-AGIUHOORSA-N 311.407 -0.133 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2cnc(N(C)C)cn2)[C@H](O)C1 1090267888 DUIWSXCWTMIOKU-TZMCWYRMSA-N 317.393 -0.269 30 20 DBED C=CCN1CC[C@@H](NC(=O)c2cn(C)nc2COC)[C@H](O)C1 1090372593 WDFREPNPWFLTAE-TZMCWYRMSA-N 308.382 -0.083 30 20 DBED CCCOCC(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1O 1090380286 DAECDCQZJRKCDM-VXGBXAGGSA-N 305.338 -0.559 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1O 1090408282 OKAFYGKSTZMXEN-IOASZLSFSA-N 316.361 -0.054 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(c2cc(C)ncn2)C[C@@H]1O 1091152793 IJGBJWALWAEPGY-UPJWGTAASA-N 304.350 -0.511 30 20 DBED CN(C)CCC(=O)N[C@H]1CCN(c2ccc(C#N)cn2)C[C@H]1O 1092175270 ZMHRBPNBQLZXAY-UONOGXRCSA-N 317.393 -0.039 30 20 DBED CC(=O)N[C@H](C)C(=O)N1CCN(c2nccnc2C#N)CC1 1093131227 WZDWIRMFFSVFDE-SNVBAGLBSA-N 302.338 -0.479 30 20 DBED N#Cc1ccc([N+](=O)[O-])c(NCCNC(=O)Cn2cnnn2)c1 1093505156 OEUUNYSDNYESFW-UHFFFAOYSA-N 316.281 -0.319 30 20 DBED N#Cc1cnc(NCCNC(=O)C2CC(=O)NC(=O)C2)c(F)c1 1093741727 QAJUGPWCULEWJA-UHFFFAOYSA-N 319.296 -0.327 30 20 DBED N#Cc1c[nH]ccc1=NCCNC(=O)C[C@H]1CCCS1(=O)=O 1094011620 MZVKSIOXUWRNEY-GFCCVEGCSA-N 322.390 -0.129 30 20 DBED Cc1cc(C#N)nc(NCCCNC(=O)[C@H]2COC(=O)N2)n1 1094387982 LCGGAQVXWLAUDK-SNVBAGLBSA-N 304.310 -0.317 30 20 DBED N#Cc1ccc(NCCCNC(=O)[C@@H]2CCCS2(=O)=O)nn1 1094445192 FIPNTBWXSMRERB-NSHDSACASA-N 323.378 -0.156 30 20 DBED C#CCN1CCN(C(=O)[C@H](F)C(C)C)[C@@H]2CS(=O)(=O)C[C@@H]21 1094653738 UDJGVMSHZDMRMH-YNEHKIRRSA-N 316.398 -0.077 30 20 DBED C[C@@H](C(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1)n1cccc1 1094721734 JNYHFRDADLKKGH-QWHCGFSZSA-N 315.377 -0.026 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)c3c(C)ccn3C)CC2=O)C1 1094729519 GAGUTKDSYMGATI-ZDUSSCGKSA-N 314.389 -0.018 30 20 DBED C[C@H](CC(=O)N1CC[C@@H](N=c2cc[nH]cc2C#N)C1)NC(N)=O 1095062134 RVQDDLJFCPNZTP-ZYHUDNBSSA-N 316.365 -0.165 30 20 DBED CCN(CCCNC(=O)[C@@H]1CNC(=O)N1)c1ccc(C#N)nn1 1095960159 UQRPWPJDBRTDLH-NSHDSACASA-N 317.353 -0.638 30 20 DBED CC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN1CC(=O)N(C)C1=O 1096336607 IAWZOYOJUDEOEW-AGIUHOORSA-N 318.377 -0.375 30 20 DBED C=C(C)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H]1CCS(=O)(=O)N1 1096566431 YEZXWBQSEUDSLU-NDBYEHHHSA-N 313.423 -0.024 30 20 DBED N#Cc1ccc(N2C[C@@H]3CC[C@H](C2)N3C(=O)CNC(N)=O)nn1 1096881821 DESNMPKVUDMEHA-PHIMTYICSA-N 315.337 -0.804 30 20 DBED C[C@@H](CNC(=O)CCn1cnnn1)Nc1nccnc1C#N 1098010945 GNLPVSTVBZMDMN-VIFPVBQESA-N 301.314 -0.658 30 20 DBED C[C@H](CNC(=O)[C@H]1CCN(C)C1=O)Nc1nccnc1C#N 1098193575 GOIJNRPRHASEEJ-NXEZZACHSA-N 302.338 -0.257 30 20 DBED C#CCNCc1cn([C@H]2CCN(C(=O)c3ccnnc3)C2)nn1 1098740271 NVCYCMNRYOSVQR-AWEZNQCLSA-N 311.349 -0.122 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)Nc1nccnc1C#N 1098983939 JYYGGDOFVMBNHD-NSHDSACASA-N 314.349 -0.206 30 20 DBED N#CCN[C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1C(F)(F)F 1099209468 NPRIZLSUQFJAEQ-HTQZYQBOSA-N 303.248 -0.824 30 20 DBED CCN(CCNC(=O)[C@@H]1CCCNC1=O)c1nccnc1C#N 1100640400 UMRSGLAESCKWTE-LLVKDONJSA-N 316.365 -0.183 30 20 DBED CCN(CCNC(=O)[C@]1(C)CNC(=O)C1)c1nccnc1C#N 1100671350 WVABFNWVGOTIAX-HNNXBMFYSA-N 316.365 -0.183 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)[C@@]1(C)CCC(=O)NC1 1101911166 PUXPFZZEWUWJRX-HNNXBMFYSA-N 316.365 -0.443 30 20 DBED C=CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)[C@@H]2CCN(C)C2)C1 1102578277 TXWYYRMYFCGXRU-RBSFLKMASA-N 322.453 -0.076 30 20 DBED CC[C@H](CNC(=O)CCNC(=O)NC)Nc1ccc(C#N)nn1 1103063828 AVBGUWBJJLYBIU-SNVBAGLBSA-N 319.369 -0.026 30 20 DBED CC[C@H](CNC(=O)Cn1ncnn1)Nc1cncc(C#N)n1 1103208212 XGXSROUUHLAFRE-SECBINFHSA-N 301.314 -0.658 30 20 DBED CCC(=O)N[C@H](C)C(=O)NC[C@H](CC)N=c1cc[nH]c(C#N)n1 1103345450 ILXVBSLPFLZDKR-MNOVXSKESA-N 318.381 -0.008 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CN(c2ccnc(C#N)n2)CCO1 1104301887 MMQBWQCMSGBDES-QWRGUYRKSA-N 300.322 -0.171 30 20 DBED CC(C)[C@H](CNC(=O)Cn1cnnn1)N=c1cc[nH]c(C#N)n1 1105105730 CITDVSHCVLHOEB-JTQLQIEISA-N 315.341 -0.990 30 20 DBED C=CCNCc1cn(C2CN(C(=O)c3cn(C)c(O)n3)C2)nn1 1105317072 GXAQSXADRFHGNU-UHFFFAOYSA-N 317.353 -0.310 30 20 DBED CN(CCN(C)c1ccc(C#N)nn1)C(=O)CCCC(N)=O 1105419279 PPFHACMJHVMRAN-UHFFFAOYSA-N 304.354 -0.102 30 20 DBED N#Cc1nc(=NC[C@@H](O)CNC(=O)COC2CCCC2)cc[nH]1 1105722286 LXKJXHHRFRDONH-LLVKDONJSA-N 319.365 -0.382 30 20 DBED N#Cc1cncc(NC[C@@H](O)CNC(=O)C2=COCCC2)n1 1105742186 OJBXSDGVZHLKNX-GFCCVEGCSA-N 303.322 -0.068 30 20 DBED Cc1[nH]nc(C(=O)NC[C@H](O)CNc2cnc(C#N)cn2)c1O 1105819692 IXWXUROMKQWLKJ-SECBINFHSA-N 317.309 -0.712 30 20 DBED CN1CCOC[C@@H]1C(=O)NC[C@@H](O)CNc1ccc(C#N)nc1 1105829092 PABQHSRGXJIEMQ-UONOGXRCSA-N 319.365 -0.827 30 20 DBED C=CCCOCC(=O)NC[C@@H](O)CNc1cncc(C#N)n1 1105892435 XHLQSDKAMWBWTL-LBPRGKRZSA-N 305.338 -0.170 30 20 DBED Cc1ccc(C#N)c(NC[C@H](O)CNC(=O)[C@@H]2CCC(=O)N2)n1 1105921234 BAIJXOVXMWYCFZ-RYUDHWBXSA-N 317.349 -0.571 30 20 DBED COCC1(C(=O)NC[C@H](O)CNc2nccnc2C#N)CC1 1106022991 KTCVOPAFJWJBHN-SNVBAGLBSA-N 305.338 -0.336 30 20 DBED N#Cc1c[nH]ccc1=NC/C=C/CNC(=O)[C@@H]1CC[C@H]1C(N)=O 1107453469 YUEDAKXWYCKWSW-DKZVVXNFSA-N 313.361 -0.029 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](C)NC(=O)Cn2cnnc2O)n1 1107725856 GHCKRHZNRZCCKA-SECBINFHSA-N 316.325 -0.429 30 20 DBED C[C@H](CNc1ccc(C#N)cn1)NC(=O)C[C@@H]1CC(=O)NC1=O 1107825793 HFHMPWUQDNAVAC-MWLCHTKSSA-N 315.333 -0.077 30 20 DBED C[C@]1(CNC(=O)CCCS(C)(=O)=O)CN(CC#N)CCO1 1108274604 IVTXUBHUYFGPQQ-ZDUSSCGKSA-N 317.411 -0.458 30 20 DBED C[C@](O)(CC(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1)C1CC1 1108537468 PEXCSTNPWSRLNC-WBMJQRKESA-N 320.393 -0.538 30 20 DBED C[C@@H](CN(C)c1ccnc(C#N)n1)NC(=O)[C@@H]1CCNC1=O 1109206157 SZVRMGRZVXDMGR-VHSXEESVSA-N 302.338 -0.575 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C[C@](C)(O)C=C 1110495721 GNMPLQRJELMAEJ-VWPFQQQWSA-N 319.405 -0.216 30 20 DBED CC(C)[C@@H](O)C(=O)NC[C@]1(O)CCN(c2nccnc2C#N)C1 1111075734 IYWYUJITORCROO-IUODEOHRSA-N 319.365 -0.577 30 20 DBED N#Cc1cnc(NCCN(CCO)C(=O)c2nc[nH]n2)c(F)c1 1111496616 RAYYVFDGADJXAU-UHFFFAOYSA-N 319.300 -0.243 30 20 DBED N#Cc1ccc(NCCN(CCO)C(=O)[C@@H]2CCNC2=O)nc1 1111534525 BUCNGSVRFLZLFZ-GFCCVEGCSA-N 317.349 -0.678 30 20 DBED C=CC(C)(C)C(=O)N(CCO)CCNc1ccc2nnnn2n1 1111537672 IMTBKFLOLMQRAI-UHFFFAOYSA-N 319.369 -0.036 30 20 DBED Cc1nc(N2CCOC[C@H]2CNC(=O)C(N)=O)ccc1C#N 1111715851 RTBNMMWGCBBPLJ-LLVKDONJSA-N 303.322 -0.932 30 20 DBED CNC(=O)CC(=O)NCC1(Nc2nccnc2C#N)CCC1 1111786267 HVUSWSQPUSBKKZ-UHFFFAOYSA-N 302.338 -0.065 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CCN(c2cncc(C#N)n2)C[C@H]1C 1112400171 JMJMKSLQEYXQDT-ZYHUDNBSSA-N 316.365 -0.185 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)CN2CCCC2=O)CC1 1112605590 JHZCSCCHLACFGL-CYBMUJFWSA-N 322.409 -0.556 30 20 DBED C=CCCN1CCN(C(=O)[C@@H](CCC(N)=O)NC(C)=O)CC1 1113435450 IPEMIUFVQYYZRP-CYBMUJFWSA-N 310.398 -0.523 30 20 DBED CCC(=O)NCC(=O)NC[C@H](C)N(C)c1ccc(C#N)nn1 1113537110 HYNQQPWESUIWGP-JTQLQIEISA-N 304.354 -0.185 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)C[C@@H]3CCCO3)[C@@H]2C1 1113913636 QAZNUKGZFGJNGG-YNEHKIRRSA-N 305.378 -0.649 30 20 DBED C=CCOCC(=O)NC1[C@@H]2CN(CC(=O)NC(=O)NCC)C[C@@H]12 1114055519 YDFDBXZZBYFDRS-GHMZBOCLSA-N 324.381 -0.919 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)c3nccc(C)n3)[C@H]2C1 1114189921 YGPFCPONLGUHHY-RYUDHWBXSA-N 315.377 -0.253 30 20 DBED C#CCCCC(=O)NC1[C@H]2CN(CCN3CCNC3=O)C[C@H]12 1114199651 YJIBGTZKLHCCQA-STQMWFEESA-N 304.394 -0.139 30 20 DBED CNC(=O)CC(=O)N1C[C@H]2CC[C@H]1CN2c1ccc(C#N)nn1 1114388200 LTVHKGWRSZCIIU-NEPJUHHUSA-N 314.349 -0.336 30 20 DBED Cc1nc(N(C)CCOCCNC(=O)C(N)=O)ccc1C#N 1115250644 UAQUIHBDQNXUKU-UHFFFAOYSA-N 305.338 -0.684 30 20 DBED C=CCOCCNC(=O)C(=O)N(CCS(C)(=O)=O)C(C)C 1118384590 PJIPVLJELJUFSO-UHFFFAOYSA-N 320.411 -0.413 30 20 DBED C#CCN(C(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)C(C)C 1119685467 AYVHDSCRGMUUOP-ZIAGYGMSSA-N 307.394 -0.164 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)Cn2cccn2)nn1 1121054615 FPCANBXWPMIYJG-LLVKDONJSA-N 301.310 -0.866 30 20 DBED Cc1nsc(N[C@H](CO)CNC(=O)CSCC#N)n1 1121078944 JWARIEHNWYPJBU-QMMMGPOBSA-N 301.397 -0.008 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)CO[C@@H]2CCOC2)nc1 1122072852 YUKCMROPSXHASX-QWHCGFSZSA-N 320.349 -0.352 30 20 DBED CN1C(=O)CN(CC(=O)[C@H](C#N)C(=O)Nc2ccccn2)C1=O 1122427856 ONAUWKSEAHOTRI-VIFPVBQESA-N 315.289 -0.377 30 20 DBED Cc1cc(=NC[C@H](O)CN(C)C(=O)c2cn[nH]c2)c(C#N)c[nH]1 1124180502 URDCRDMXFOVBHZ-ZDUSSCGKSA-N 314.349 -0.048 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]cc1C#N)C(=O)CN1CCCC1 1124351801 GOOGYYARBMJLCZ-CQSZACIVSA-N 317.393 -0.298 30 20 DBED CN(C[C@@H](O)CNc1nccnc1C#N)C(=O)c1ccn(C)n1 1124353372 WBBCAUCTDRORFF-JTQLQIEISA-N 315.337 -0.373 30 20 DBED CN(C[C@H](O)CNc1nccnc1C#N)C(=O)[C@@]1(F)CCOC1 1124664943 CBROXNLJOWWNSO-QMTHXVAHSA-N 323.328 -0.292 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)c2nn(C)cc2C)C1=O 1126954803 RITIXAAFZGZGMG-LBPRGKRZSA-N 305.382 -0.165 30 20 DBED C#CCNC(=O)CNCCNC(=O)C(C)(C)N1CCCCC1 1127321646 BJFUYTUZUCNGRU-UHFFFAOYSA-N 308.426 -0.294 30 20 DBED C#CCOCCC(=O)N1C[C@H](n2ccnn2)[C@H](NCC#CC)C1 1129838153 SJFRUBQVAMQSBR-CABCVRRESA-N 315.377 -0.317 30 20 DBED CC#CCN[C@@H]1CN(C(=O)CC(=O)NC)C[C@H]1c1cncn1C 1130972814 BHMZLICKEVBVRB-CHWSQXEVSA-N 317.393 -0.537 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@H](COC)OC)C[C@H]1c1cncn1C 1131064797 SRQQXPNOUHHWSZ-NFAWXSAZSA-N 320.393 -0.401 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)[C@@H](C)Cc1cnc[nH]1 1135072286 SYBLAFBHYXJSQV-RYUDHWBXSA-N 307.398 -0.015 30 20 DBED C=CCCN[C@@H](C)C[C@@H](C)NC(=O)CNS(=O)(=O)N(C)C 1135568313 LDUMGLUAPRCKHV-NWDGAFQWSA-N 320.459 -0.169 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)Cn1nccc1C 1135572071 QUDBGERDEWLNTH-QWHCGFSZSA-N 319.409 -0.186 30 20 DBED Cc1nc(CN2CCCO[C@H](CNC(=O)[C@H](C)C#N)C2)n[nH]1 1149406636 JMNSZKDSQNQGHB-ZYHUDNBSSA-N 306.370 -0.020 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)C[C@H]2CCC(=O)N2C)C1 1150077760 BBGKJBYAGLRWPU-KGLIPLIRSA-N 307.394 -0.162 30 20 DBED N#CCN1CCCO[C@@H](CNC(=O)CCn2cnccc2=O)C1 1150516559 IHLXXEPSEDPOEQ-ZDUSSCGKSA-N 319.365 -0.636 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)[C@@H](C)CN2CCOCC2)C1 1150725838 WKUKJVUUOFVYGZ-HOTGVXAUSA-N 323.437 -0.205 30 20 DBED C#CCN1CCC(C(=O)NCCN[C@H](C)C(=O)NCC=C)CC1 1152330450 NJNPMZGCOPBIAN-CQSZACIVSA-N 320.437 -0.272 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)NCCCNC(=O)CCOC 1154033040 XFMRIBBYJHRTQN-LLVKDONJSA-N 314.386 -0.481 30 20 DBED C=CCCO[C@H](C)C(=O)NCCCNCc1nc(=O)n(C)[nH]1 1155428275 ZCGRNQJKBOELGU-LLVKDONJSA-N 311.386 -0.315 30 20 DBED C=CCOCC(=O)NCCCNCC(=O)Nc1cc(C)nn1C 1155732309 ZSYIVUGUJOJAEM-UHFFFAOYSA-N 323.397 -0.034 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@@H]1CCc2cncn2C1 1161314479 AMNYIVJLPASGHN-CYBMUJFWSA-N 317.393 -0.709 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)c1coc(C(N)=O)c1 1163224087 RDQGUKPRZOTXQJ-SNVBAGLBSA-N 322.365 -0.221 30 20 DBED C#CCNC(=O)CNCC1(CCNC(=O)C(C)(C)C(N)=O)CC1 1165610234 VLDRUCNAUIENNK-UHFFFAOYSA-N 322.409 -0.877 30 20 DBED C=CCn1cc(C(=O)NCCC2(CN[C@@H](C)C(N)=O)CC2)nn1 1167414755 VZDQPHRGHZVBJU-NSHDSACASA-N 320.397 -0.172 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)NCCCN[C@H](CC)C(N)=O 1167677897 LAOQEYUFBUMIAQ-CHWSQXEVSA-N 312.414 -0.183 30 20 DBED C=CCOCCNCCCNC(=O)COCc1nncn1C 1169827154 FFYSBMUUSTYPBO-UHFFFAOYSA-N 311.386 -0.370 30 20 DBED CC(C)c1ncncc1C(=O)NCCCNCC(=O)NCC#N 1176255786 XOLOXIYFRJYSBP-UHFFFAOYSA-N 318.381 -0.051 30 20 DBED C[C@H]1[C@@H](NCC#N)CCN1C(=O)CNC(=O)C1CCOCC1 1179734457 CGHQYNGGHZFXPQ-AAEUAGOBSA-N 308.382 -0.368 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)Cc2cncn2C)[C@H]1C 1179925255 MQULDRVTZQPWHY-JSGCOSHPSA-N 319.409 -0.156 30 20 DBED O=C(CN[C@@H]1CCN(C(=O)C#CC2CC2)C1)NC[C@@H]1CCCO1 1182389734 WBLMRACYAJWGBV-CABCVRRESA-N 319.405 -0.115 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CCO[C@H]2C2CC2)C1 1184453406 JMWIUVHUGWLPQW-FMKPAKJESA-N 319.405 -0.259 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)c2c(C)ncnc2O)C1 1185084770 RTZYYADNHQOKHN-GFCCVEGCSA-N 304.350 -0.055 30 20 DBED C#CCCNC[C@H]1CCN(C(=O)CN2CC(=O)NC2=O)C[C@@H]1C 1185328579 XQGZAFGUZSPKDK-QWHCGFSZSA-N 320.393 -0.364 30 20 DBED C=CCNC[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)C[C@H]1C 1185643701 YXBWDXRSXFGURF-VXGBXAGGSA-N 308.382 -0.202 30 20 DBED N#CCSCC(=O)N1CC[C@H]2CN([C@H]3CCNC3=O)C[C@H]21 1186917140 HHCPNFIRSIHFAZ-SDDRHHMPSA-N 308.407 -0.336 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)c2ccco2)C1 1190676511 RBFCMGRPFBNSJA-IJLUTSLNSA-N 307.350 -0.255 30 20 DBED C[C@H](O)CCCN1C[C@@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 1192037877 OCXVVDPUEXZBPY-ZLKJLUDKSA-N 306.366 -0.178 30 20 DBED CC[C@@H](C(=O)N1CC[C@@H](N(C)CC(=O)NCC#N)C1)N(C)C 1192385818 KYMUONUJILQXEK-OLZOCXBDSA-N 309.414 -0.501 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCN2C(C)C)C1 1192844494 VZDPZPUBPUVBHP-BZUAXINKSA-N 323.437 -0.330 30 20 DBED C=CCNC(=O)[C@@H](C)N(C)[C@@H]1CCN(C(=O)c2cnon2)C1 1192989725 YFIRZJOQSSVGEL-GHMZBOCLSA-N 307.354 -0.093 30 20 DBED C=C(Cl)C(C)(C)C(=O)N[C@@H]1CN(CCOCCO)C[C@H]1O 1193312834 OFMLKVDEZIQGMQ-VXGBXAGGSA-N 320.817 -0.065 30 20 DBED CN1CCC[C@@H]1C(=O)N1CCCN(CC(=O)NCC#N)CC1 1195275756 UQHSFRCSQFEUMX-CYBMUJFWSA-N 307.398 -0.745 30 20 DBED CC#CCCCC(=O)N[C@@H]1CN(CC(=O)N2CCCC2)C[C@H]1O 1195467040 HREWHUZYTDBAIW-HUUCEWRRSA-N 321.421 -0.036 30 20 DBED C=CCNC(=O)[C@@H](C)NC1CCN(C(=O)c2cnnn2C)CC1 1200349249 KBEUBUXURSKXNP-LLVKDONJSA-N 320.397 -0.300 30 20 DBED N#CCNC(=O)CN[C@@H]1C[C@@H](NC(=O)c2ncc[nH]2)C12CCC2 1202855478 HTVHCHYZWCSOAX-GHMZBOCLSA-N 316.365 -0.320 30 20 DBED Cc1ncc(C(=O)N2CCC(CNCC(=O)NCC#N)CC2)[nH]1 1204786641 GKKJGEYERZHNRE-UHFFFAOYSA-N 318.381 -0.200 30 20 DBED C=CCNCC1CCN(C(=O)CNS(=O)(=O)CC)CC1 1205415951 RQCWZAZKNSCGKE-UHFFFAOYSA-N 303.428 -0.060 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(CCOCC=C)C[C@H]1C 1206887234 CERNTIYMTWLXBL-ZIAGYGMSSA-N 307.394 -0.235 30 20 DBED C[C@@H]1CN([C@@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)C#CC1CC1 1206948566 RJFVWIYYESMRIB-RAIGVLPGSA-N 303.362 -0.359 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)c2cc(C)no2)C1 1207275713 CQQUZUYGQJXHSS-GFCCVEGCSA-N 304.350 -0.073 30 20 DBED C#CCCCC(=O)N1CCC[C@@H](N[C@H](C)C(=O)NC(N)=O)C1 1207945312 ZNRWHSKFPCXPKI-VXGBXAGGSA-N 308.382 -0.046 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)CCc2ccon2)C1 1208561195 HONNTYZREVTWDG-AWEZNQCLSA-N 318.377 -0.063 30 20 DBED C[C@@H]1CCO[C@@H]1C(=O)N1CCC[C@@H](NCC(=O)NCC#N)C1 1209698372 AGJODPQBKUIVII-BZPMIXESSA-N 308.382 -0.368 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)C#CC2CC2)[C@H](OC)C1 1212251249 UFNZIVOSMFXYON-BPLDGKMQSA-N 319.405 -0.094 30 20 DBED C[C@@H]1CN(C(=O)CCNC(=O)[C@H]2CCCO2)C[C@H]1NCC#N 1217037727 GRORQYWGKPWOEH-JHJVBQTASA-N 308.382 -0.368 30 20 DBED CCC(=CC(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@@H]1O)CC 1219455778 ZNJRFZJOFSKCTD-OLZOCXBDSA-N 308.382 -0.466 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)CCOCC(F)F)C1 1219645800 SQIHYJZDJIHJCT-NEPJUHHUSA-N 320.336 -0.531 30 20 DBED N#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)Cc2ccccc2)C1 1219883061 LUIDOSVEOMHBGV-KGLIPLIRSA-N 316.361 -0.970 30 20 DBED CCc1n[nH]cc1C(=O)N[C@@H]1CN(CC#CCOC)C[C@@H]1O 1219927886 GTASJFTXOHWTQD-KGLIPLIRSA-N 306.366 -0.603 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@H](C)CC(C)C)C1 1220628533 DNPYABMEKKNUFI-MCIONIFRSA-N 309.410 -0.421 30 20 DBED C=CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3ncccn3)[C@@H]2C1 1221885760 WMEQKXLFDRIUFV-CHWSQXEVSA-N 315.377 -0.075 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)CN(C)C(C)C)CC1 1225577404 GFMQJGJSEDJWIF-UHFFFAOYSA-N 322.453 -0.096 30 20 DBED C#CCCCC(=O)NC1CCN(CCNS(C)(=O)=O)CC1 1227109073 ZSFLKXFZLDBOEQ-UHFFFAOYSA-N 315.439 -0.080 30 20 DBED C=CCN(CC=C)C(=O)CN1CC[C@H]1CN(C)C(=O)CC(N)=O 1231358303 FOCUHVTUSQFFNO-ZDUSSCGKSA-N 322.409 -0.405 30 20 DBED C#CCOCCC(=O)N(C)C[C@@H]1CCN1CC(=O)NC1CC1 1234264527 CIWMSSJOGQMMKE-AWEZNQCLSA-N 307.394 -0.162 30 20 DBED CC[C@H](C)n1nc(NC(=O)C(=O)NCC(=O)NCC#N)cc1C 1261093851 UYYCUXBIOYELLQ-VIFPVBQESA-N 320.353 -0.143 30 20 DBED Cc1cc(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)cn(C)c1=O 1320841018 WLYVYLYHAQMBCF-NSHDSACASA-N 304.306 -0.617 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)NCC1CCOCC1 1321786347 JPAAOFMWANVJDC-UHFFFAOYSA-N 318.395 -0.754 30 20 DBED CNS(=O)(=O)N1CCC(C(=O)N[C@@H](C#N)C(C)C)CC1 1321861144 HYSLOECMGLFOTP-NSHDSACASA-N 302.400 -0.173 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN3CCCC[C@H]23)CCO1 1321886717 OVPHAUONVDYUKA-FRRDWIJNSA-N 306.366 -0.520 30 20 DBED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)NCc1nnc(C)n1C 1322021542 SICTZPRICNNEAD-DGCLKSJQSA-N 321.381 -0.163 30 20 DBED C[C@@H](NC(=O)C(=O)N1CC[C@@](O)(CC#N)C1)C1=CCN(C)CC1 1326436437 BWKOWLSFMKCPNA-WBMJQRKESA-N 320.393 -0.370 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)C1 1326533945 UHQOYUOROAYBPB-CJNGLKHVSA-N 320.393 -0.440 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)C(=O)NCCc2cscn2)C1 1326848587 GHXOEMNIQUPCKZ-CYBMUJFWSA-N 308.363 -0.321 30 20 DBED C/N=C(/NCCC(=O)N[C@H]1CCS(=O)(=O)C1)NC1CC1 1327773084 RSYZBFFSZWBWEK-JTQLQIEISA-N 302.400 -0.993 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)C(=O)NCC[C@H]2C[C@H]3CC[C@H]2O3)C1 1328317080 OWBXMFOCSHPICX-VPWBDBDCSA-N 321.377 -0.063 30 20 DBED C#CC[C@H](CO)NC(=O)Cc1c(C)nc2[nH]n(C)c(=O)c2c1C 1328890272 HVTLNMPUAJGRQA-LLVKDONJSA-N 316.361 -0.079 30 20 DBED CC(C)(C)[C@H](NC(=O)C(=O)Nc1ccc(C#N)cn1)C(N)=O 1330363209 QWWZVCQRRGJEKA-SNVBAGLBSA-N 303.322 -0.092 30 20 DBED C=CCOCCNC(=O)C(=O)N[C@H](C)CO[C@H]1CCOC1 1330760957 MQDSSXNRMXJDPU-NEPJUHHUSA-N 300.355 -0.385 30 20 DBED C[C@H]1CC(=NC(=O)C(=O)c2cc(S(N)(=O)=O)cn2C)NO1 1331153328 JORFJHUEFAIISX-LURJTMIESA-N 314.323 -0.906 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N[C@@H]2CCO[C@H]2CC)nn1 1332042562 GBKCNDODVWNTSL-NEPJUHHUSA-N 307.354 -0.236 30 20 DBED C#CC[C@@H](CCOC)NC(=O)N1CCC(S(N)(=O)=O)CC1 1332913895 MMWLALTUUFQZPU-NSHDSACASA-N 317.411 -0.123 30 20 DBED C=CCN(C(=O)C(=O)N[C@@H]1CCS(=O)(=O)C1)[C@@H](C)COC 1336167169 HIGGPHKXQAYCHU-WDEREUQCSA-N 318.395 -0.661 30 20 DBED Cc1nc([C@H]2COCCN2C(=O)NCC(=O)NCC#N)no1 1346658442 NWKMCXMEGDTMOR-SECBINFHSA-N 308.298 -0.899 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CCC[C@@H]1C(=O)NC1CC1 1347038783 KIPSWDKOYHPRTR-ZYHUDNBSSA-N 309.366 -0.427 30 20 DBED C=CCN(CC=C)C(=O)C(=O)N1CCN(CCOC)C(=O)C1 1348094678 OFGDTKOXJFRGOY-UHFFFAOYSA-N 309.366 -0.496 30 20 DBED C=C[C@](C)(CCOC)C(=O)NCCc1nnc2n1CCNC2=O 1348199158 AJYSOEOKXJRZCK-OAHLLOKOSA-N 321.381 -0.091 30 20 DBED C#Cc1cccc(CNC(=O)C(=O)N2CC(NC(=O)OC)C2)c1 1348788399 XYVWFLYWBDOBED-UHFFFAOYSA-N 315.329 -0.149 30 20 DBED COc1ccc(CNC(=O)Cn2cc(C#N)c(O)nc2=O)nc1 1362597243 GMLDVINVXPZDPO-UHFFFAOYSA-N 315.289 -0.459 30 20 DBED C[C@H](CNC(=O)c1ncn(C)n1)CNC(=O)c1cc(C#N)c[nH]1 1375659180 HHCQYUVEVIMYMO-VIFPVBQESA-N 315.337 -0.189 30 20 DBED CCN(CCC#N)C(=O)CN1CC(NC(=O)c2cnn(C)c2)C1 1377861310 OADQCQONVVZXNJ-UHFFFAOYSA-N 318.381 -0.404 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)CCc2ccncn2)C1 1384003550 ZEJLZGWCDLYRME-RAIGVLPGSA-N 317.349 -0.743 30 20 DBED Cc1nnc(COCC(=O)N2CC(NC(=O)[C@@H](C)C#N)C2)s1 1398676149 OURXBCLZVUZETR-QMMMGPOBSA-N 323.378 -0.150 30 20 DBED C=C(Cl)CNC[C@H](O)CNC(=O)C[C@H]1CCC(=O)NC1 1406231167 DMPIAJIBUGHCGQ-MNOVXSKESA-N 303.790 -0.278 30 20 DBED CC[C@H](NC[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCO1)C(N)=O 1407847134 XHBOOKPIBFAAFT-RYUDHWBXSA-N 319.365 -0.419 30 20 DBED Cc1cc(C(=O)NC[C@]2(O)CCN(C(=O)[C@@H](C)C#N)C2)n[nH]1 1417439548 JOILZQUAXGMJTF-LKFCYVNXSA-N 305.338 -0.429 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1C[C@@H](NC(=O)c2nccnc2N)C1 1429113334 ONBVZCQMWKIHQH-LPEHRKFASA-N 302.338 -0.157 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C)C(=O)[C@H]1CCCS1(=O)=O 1429456524 YVNUEFPMGUNBOC-VHSXEESVSA-N 301.368 -0.702 30 20 DBED CC(C)C[C@@H](CNC(=O)[C@@H](C)C#N)NC(=O)C1(NC(N)=O)CC1 1433012616 CHGOILNCMJPJIS-QWRGUYRKSA-N 323.397 -0.006 30 20 DBED COC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1cc(C#N)ccn1 1433604478 CTBITCHKYIQZOM-LLVKDONJSA-N 302.290 -0.543 30 20 DBED CC(C)OC(=O)CNC(=O)CCn1cc(C#N)c(O)nc1=O 1433676943 MHZDRLRSIMXPAI-UHFFFAOYSA-N 308.294 -0.722 30 20 DBED C[C@@H](C[C@H]1CCOC1)NC(=O)Cn1cc(C#N)c(O)nc1=O 1433808447 QYWZNCPBVCBEQT-VHSXEESVSA-N 306.322 -0.248 30 20 DBED Cn1c(=O)[nH]c(N2CCC[C@@H](C3(C)OCCO3)C2)c(C#N)c1=O 1434442796 NMCWTDTWNYACJY-SNVBAGLBSA-N 320.349 -0.075 30 20 DBED COc1c[nH]c(C(=O)NC2(CNC(=O)[C@H](C)C#N)CC2)cc1=O 1453534830 FJTGEMBXWGQLHG-SECBINFHSA-N 318.333 -0.078 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CCN(C(=O)CN2CCOCC2=O)C1 1453666118 QZSDSJASAATSRK-RYUDHWBXSA-N 322.365 -0.936 30 20 DBED CCOc1cnc(C(=O)N2CC(NC(=O)[C@H](C)C#N)C2)cn1 1456393145 IODOWJDTXUBTEC-SECBINFHSA-N 303.322 -0.024 30 20 DBED CC[C@@H](NC(=O)Cn1cc(C#N)c(O)nc1=O)[C@@H]1CCCO1 1466614874 QIHYXJCOYRHHBS-MNOVXSKESA-N 306.322 -0.106 30 20 DBED COCC1(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2O)CCC1 1489374207 NMTWDJAUWMUGIB-IJLUTSLNSA-N 309.366 -0.349 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)c2ncc(OC)cn2)C1 1490550652 YYKOWCDFISIQPI-LLVKDONJSA-N 317.349 -0.961 30 20 DBED Cn1ncc(C(=O)NC2(CNC(=O)c3cc(C#N)c[nH]3)CC2)n1 1506001047 QKEXSZPFHHNZQV-UHFFFAOYSA-N 313.321 -0.293 30 20 DBED Cc1nnc(CC(=O)N(C)C[C@@H](O)CNC(=O)[C@@H](C)C#N)o1 1511532295 MBYVWFNXSDJUAZ-WPRPVWTQSA-N 309.326 -0.984 30 20 DBED C[C@H](C#N)C(=O)NCCN1CCN(C(=O)c2csnn2)CC1 1524094473 KRJZYOJFRPQIBQ-SNVBAGLBSA-N 322.394 -0.428 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)c2cn(C)c(=O)n2C)C1 1525088549 WNTJOTMXQJBYRT-GUBZILKMSA-N 305.338 -0.740 30 20 DBED N#Cc1cn(CCC(=O)N(CC(=O)O)C2CCC2)c(=O)nc1O 1574248112 COYRONIPVRESQJ-UHFFFAOYSA-N 320.305 -0.324 30 20 DBED C#C[C@@H](CO)NS(=O)(=O)c1cccc(F)c1-c1nn[nH]n1 1588327333 HDWKQNBUPDQYHU-ZETCQYMHSA-N 311.298 -0.722 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N[C@@H]1CC[C@H](C(=O)O)C1 1588390359 SEZYMZIJQOLNIW-SDDRHHMPSA-N 310.350 -0.100 30 20 DBED C=C(C)C[C@H](CO)NS(=O)(=O)c1ccc(-c2nn[nH]n2)nc1 1588404221 FRDFMAUDYIJSLQ-SECBINFHSA-N 324.366 -0.133 30 20 DBED C#CCN(C(=O)NC[C@H]1C[C@H]1C(=O)O)[C@H]1CCS(=O)(=O)C1 1588460338 YUNYRQRCXUJVTE-OUAUKWLOSA-N 314.363 -0.461 30 20 DBED CN(CCc1cnccn1)c1cnc(C#N)c(-c2nn[nH]n2)n1 1591122674 LPWHTSBRRZYSBK-UHFFFAOYSA-N 308.309 -0.003 30 20 DBED N#Cc1ccc([C@H](C(=O)O)N2C[C@H](C(N)=O)[C@@H](C(N)=O)C2)cc1 1601093875 CFKBJRIWSHFWMF-SDDRHHMPSA-N 316.317 -0.797 30 20 DBED N#CC[C@@]1(O)CCN(S(=O)(=O)c2cc(C(=O)O)ccn2)C1 1608180991 CIAMCHBGLHDCAB-GFCCVEGCSA-N 311.319 -0.181 30 20 DBED C=CCOC[C@@H](NC(=O)[C@@H]1CCc2nnc(C)n2C1)C(=O)O 1609432316 NTFGXJNGDOSRCV-GHMZBOCLSA-N 308.338 -0.079 30 20 DBED C=CCNC(=O)CN1CCC[C@@H]1CNC(=O)[C@@H]1[C@H]2COC[C@H]21 1753107920 GDVFUSRDDKUUIN-CXTNEJHOSA-N 307.394 -0.238 30 20 DBED C#CCNC(=O)CNC[C@](C)(NC(=O)c1cncn1C)C1CC1 1753520650 ZZEIMNZVNRZHGK-INIZCTEOSA-N 317.393 -0.342 30 20 DBED C[C@@H](CNCC(=O)NCC#N)N(C)C(=O)[C@@]1(F)CCOC1 1753709496 ZLOCDLATQVJIAW-GXFFZTMASA-N 300.334 -0.809 30 20 DBED C#CCNC(=O)CNC[C@@H](O)CNC(=O)c1cc[nH]c1C(C)C 1753924967 IFDJEISEGBHSPV-GFCCVEGCSA-N 320.393 -0.432 30 20 DBED C=CCOCC(=O)NC[C@@H]1CCN1CCN1C(=O)CCC1=O 1754474616 CBAGGFDCLCALBU-LBPRGKRZSA-N 309.366 -0.472 30 20 DBED C=CCNC(=O)CN1CC[C@H](C2CCN(C(=O)C(N)=O)CC2)C1 1754535733 LYWOADNDLUESGW-ZDUSSCGKSA-N 322.409 -0.666 30 20 DBED N#CCNC1CCN(CCNC(=O)[C@@H]2CC[C@H]2C(N)=O)CC1 1754849497 VAYLYWVDJXUBFB-CHWSQXEVSA-N 307.398 -0.808 30 20 DBED C=CCCCC(=O)N1CCOC2(CN(CC(=O)NC(N)=O)C2)C1 1755050667 XZANSWLILXVYTN-UHFFFAOYSA-N 324.381 -0.549 30 20 DBED CN(CC(=O)NCC#N)C[C@@H]1CCCN1C(=O)[C@@H]1[C@H]2COC[C@H]21 1755197773 MZFIZFJSLGRZCJ-RMRHIDDWSA-N 320.393 -0.559 30 20 DBED CC#CCCCC(=O)NC1(CCO)CN([C@H]2CCNC2=O)C1 1755334660 GRXFUNAOQWEIBR-ZDUSSCGKSA-N 307.394 -0.379 30 20 DBED C=CCNC(=O)CNC[C@H]1C[C@H](NC(=O)C(=O)NCC2CC2)C1 1755480159 MJPFPEUDUHHHNX-JOCQHMNTSA-N 322.409 -0.701 30 20 DBED CN(C(=O)Cn1cccn1)[C@@H](CNCC(=O)NCC#N)C1CC1 1755557554 QNEHADSQZMTLHK-ZDUSSCGKSA-N 318.381 -0.651 30 20 DBED C#CCCN[C@@H](CO)CNC(=O)[C@@H](C)NC(=O)C1CCCC1 1755629434 MMEUQNVBHOTOPK-TZMCWYRMSA-N 309.410 -0.229 30 20 DBED C#CCCNC[C@H]1CC[C@@H](NC(=O)CN(C)S(C)(=O)=O)C1 1755736149 RSMBANQUICXYAI-QWHCGFSZSA-N 315.439 -0.224 30 20 DBED C=CCCC(=O)N[C@@H](CO)CNC(=O)c1ccc(C(N)=O)cn1 1756529562 CMLDBGGIJJZLAY-LLVKDONJSA-N 320.349 -0.646 30 20 DBED CC#CCCCC(=O)N[C@H](CO)CNC(=O)Cn1cncc1C 1756535581 HOSSHNBXOTWLSW-AWEZNQCLSA-N 320.393 -0.022 30 20 DBED O=C(C#CC1CC1)N[C@H](CO)CNC(=O)[C@@]12CCCN(CC1)C2 1756538625 RCXCRBXVIHZDMO-YOEHRIQHSA-N 319.405 -0.521 30 20 DBED C=C[C@@](C)(CC)C(=O)N[C@H](CO)CNC(=O)c1cnc(O)n1C 1756539327 BGZIGQYUXAFAAX-BONVTDFDSA-N 324.381 -0.065 30 20 DBED C=CCCCC(=O)NC[C@@H](CO)NC(=O)c1nnn(C)c1C 1756545867 HXOIQHXKEOKFAX-NSHDSACASA-N 309.370 -0.313 30 20 DBED C=CCOCC(=O)N[C@H]1C[C@H](C)N(C(=O)CS(C)(=O)=O)C1 1756579331 CLXKZJKLTAVXNB-QWRGUYRKSA-N 318.395 -0.661 30 20 DBED CC(C)(O)CC(=O)N1C[C@@H](O)[C@H](NC(=O)CSCC#N)C1 1756978822 AWGFHQZJOGVIPJ-NXEZZACHSA-N 315.395 -0.908 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cncc(F)c2)C1 1756990231 RVIBPXVCOSBXNQ-CHWSQXEVSA-N 323.324 -0.275 30 20 DBED Cc1cc(C(=O)N[C@@H]2CN(C(=O)C#CC(C)C)C[C@@H]2O)n(C)n1 1757159319 ZOPXGNGCYUQVIO-OCCSQVGLSA-N 318.377 -0.311 30 20 DBED N#CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc[nH]n3)C[C@@H]21 1786366094 DUZLCXLOOUJNBP-DCAQKATOSA-N 318.337 -0.688 30 20 DBED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)C(C)C)C[C@@H]21 1790789850 NWQDQJMWRHDOFP-ABHRYQDASA-N 308.378 -0.384 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/C(=O)OCC 1795090239 YCVCWXCPLASFPW-PFMAJKDLSA-N 320.345 -0.672 30 20 DBED C[C@@H](S)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CNC(N)=O)C2 1802298082 BSYHAZFFNVKLFB-DOLQZWNJSA-N 314.411 -0.389 30 20 DBED C#CC(=O)N1CCCC12CN(C(=O)c1cnc(O)nc1O)C2 1845958901 JFDVIAKXTVSFNH-UHFFFAOYSA-N 302.290 -0.662 30 20 DBED N#Cc1cccc(NC(=O)C(=O)NCCN2CCOCC2)c1 48635132 TXNWVPUJXRUBQG-UHFFFAOYSA-N 302.334 -0.055 30 20 DBED CCN(C[C@H](C)C#N)C(=O)CN1CCNC(=O)[C@@H]1CC(=O)OC 51794843 ZQHWDWUCDJUSND-NEPJUHHUSA-N 324.381 -0.642 30 20 DBED CC(C)[C@@H](C#N)N1CCN(C(=O)CN(C)S(C)(=O)=O)CC1 68329119 YFKRKEQGICQRJG-GFCCVEGCSA-N 316.427 -0.430 30 20 DBED C/N=C(/NCCn1cncn1)N1CCN(c2ncccn2)CC1 73447136 WMIVBNCZFRLEJB-UHFFFAOYSA-N 315.385 -0.534 30 20 DBED N#Cc1ccc(CC(=O)N2CCN(S(N)(=O)=O)CC2)cc1 171773091 JCARDHJABVKJMA-UHFFFAOYSA-N 308.363 -0.552 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCCC[C@@H]2CO)C1=O 269918933 UCODYXBBJXEPHT-SNVBAGLBSA-N 309.322 -0.663 30 20 DBED N#C[C@H]1CN(c2cc([N+](=O)[O-])ccc2S(N)(=O)=O)CCO1 272904632 MQWGRKAACXWWPZ-VIFPVBQESA-N 312.307 -0.029 30 20 DBED N#C[C@H]1COCCN1C(=O)CNC(=O)Cc1ccc(O)cc1 274229634 KPSHQPPYPSBVPY-LBPRGKRZSA-N 303.318 -0.198 30 20 DBED C#C[C@H](C)NC(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1 274762666 PKKQDPUFUJJRIE-UONOGXRCSA-N 307.394 -0.162 30 20 DBED C#CCOc1ccc(F)cc1NC(=O)C(=O)N1C[C@H](O)[C@@H](O)C1 277513680 LEFZRWCHGHFFTL-RYUDHWBXSA-N 322.292 -0.660 30 20 DBED C=CCS(=O)(=O)CCN1C(=O)N[C@H](C(=O)OCC)C1=O 277631655 CFYBGVJNMRQTCR-QMMMGPOBSA-N 304.324 -0.929 30 20 DBED C=CCn1c(S(=O)(=O)CC(=O)NCCCCC)n[nH]c1=O 284105525 SGXYZPXRTFZYGA-UHFFFAOYSA-N 316.383 -0.163 30 20 DBED O=C1C[C@H](/N=C(/O)[C@@H]2CCC(O)=N2)CN1CCN1CCOCC1 329594204 OMZIVLMDCZAMAL-RYUDHWBXSA-N 324.381 -0.005 30 20 DBED CN(CCN1CCOCC1)/C(O)=N/C[C@H]1CCCS1(=O)=O 330155424 YHPFQTZZLGWJRH-GFCCVEGCSA-N 319.427 -0.258 30 20 DBED CC[C@@H]1C(=O)NCCN1S(=O)(=O)N(CCC#N)CCOC 330409657 YHPPJECILJUPOE-LLVKDONJSA-N 318.399 -0.696 30 20 DBED COC[C@H](C)/N=C(/O)NC(=O)CN1CC[S@@](=O)CC1(C)C 330569963 MHYBMTBJNLSEGP-CHNSCGDPSA-N 319.427 -0.106 30 20 DBED CCN1CCC[C@H](CN/C(O)=N/CCS(=O)(=O)NC)C1 331264858 OYJVPAUHVPUISF-LLVKDONJSA-N 306.432 -0.229 30 20 DBED CN(C)S(=O)(=O)NCC/N=C(/O)NC[C@@H]1CCCS1 331321640 FHBKHQNVYDHOFJ-VIFPVBQESA-N 310.445 -0.218 30 20 DBED COCCN(CCC#N)S(=O)(=O)NC[C@@H](COC)OC 336913508 ZVEPCBOSJLPLBL-NSHDSACASA-N 309.388 -0.656 30 20 DBED C[C@]1(CO)CCC[C@@H]1NS(=O)(=O)N1CCO[C@@H](C#N)C1 337086216 DXRPPJHWVWEHHZ-SDDRHHMPSA-N 303.384 -0.404 30 20 DBED CC(C)(C)C[C@@H](O)CNS(=O)(=O)N1CCO[C@H](C#N)C1 337099650 UPHFNNLCAVBBMU-GHMZBOCLSA-N 305.400 -0.158 30 20 DBED CCNC(=O)CN1CCCN(S(=O)(=O)[C@H](C)C#N)CC1 352415721 ZDEAYRSAWQCRGY-LLVKDONJSA-N 302.400 -0.628 30 20 DBED N#CCNC(=O)CNC(=O)N1CCN(CC(F)(F)F)CC1 358267620 ADRACIMLMFKDSC-UHFFFAOYSA-N 307.276 -0.484 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N1C[C@H](CO)OC(C)(C)C1 420747174 JXRKWBBDABYVIN-WDEREUQCSA-N 305.400 -0.063 30 20 DBED COC(=O)[C@H]1CNC(=O)CN1S(=O)(=O)c1ccc(C#N)cc1 447933593 XMLYVJCCOYAYHT-LLVKDONJSA-N 323.330 -0.780 30 20 DBED C#CCN(CC#CC)C(=O)C1CCN(S(=O)(=O)NC)CC1 491182209 YUPQTKKROWSACO-UHFFFAOYSA-N 311.407 -0.352 30 20 DBED C#CCNC(=O)CCN1CCN([C@H](C)C(=O)NC2CC2)CC1 491202642 OXUUDDGZKVSSJS-CYBMUJFWSA-N 306.410 -0.589 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CCC(=O)C[C@@H]2C)CC1 491724677 GTJJFXCQQXZISF-ZFWWWQNUSA-N 319.405 -0.115 30 20 DBED C[C@@H](C#N)CNS(=O)(=O)c1cnc2nc(O)nc(O)c2c1 531212864 VFTAQZOCGFCDTM-LURJTMIESA-N 309.307 -0.126 30 20 DBED CC1(C)CN(C(=O)C(=O)Nc2cccc(C#N)n2)C[C@H](CO)O1 565949932 CFLUSXADNYPJPV-LLVKDONJSA-N 318.333 -0.110 30 20 DBED COCCN(CCC#N)S(=O)(=O)NCC1(C(=O)O)CC1 584354104 BUMGFNUMORNITC-UHFFFAOYSA-N 305.356 -0.452 30 20 DBED CC#CC[C@H](CO)NC(=O)[C@@H]1CCCN(S(=O)(=O)CC)C1 649189253 BAPWOZPNZFJBHE-CHWSQXEVSA-N 316.423 -0.061 30 20 DBED N#Cc1ccc(CNC(=O)COC(=O)C2=NNC(=O)CC2)cc1 746531113 FLATYXPXWRJETN-UHFFFAOYSA-N 314.301 -0.016 30 20 DBED C=CCN(C(=O)CCN1CCOCC1)[C@H]1CCS(=O)(=O)C1 751353360 DRJBDRSYORZETQ-ZDUSSCGKSA-N 316.423 -0.090 30 20 DBED N#Cc1c(N2CC[C@H](NC(N)=O)C2)cccc1S(N)(=O)=O 755025629 CCNBMUQMDMYPMH-QMMMGPOBSA-N 309.351 -0.547 30 20 DBED C#C[C@H](NC(=O)C(=O)Nc1ccn(CCOC)n1)[C@H]1CCCO1 773791840 DDKLRUHHLVKVHA-NWDGAFQWSA-N 320.349 -0.235 30 20 DBED COCCNC(=O)[C@@H](C#N)C(=O)/C=C/c1cnc(OC)nc1 773976962 SWUADVHBQNWQFF-UFFNRZRYSA-N 304.306 -0.030 30 20 DBED C#C[C@H](NC(=O)NCC1CN(S(C)(=O)=O)C1)[C@H]1CCCO1 777637810 LJLFVQNNXVOXQZ-NWDGAFQWSA-N 315.395 -0.642 30 20 DBED Cn1cc(S(N)(=O)=O)cc1C(=O)NCc1ccc(C#N)cn1 781059220 VTMGQNBOXCLUFH-UHFFFAOYSA-N 319.346 -0.131 30 20 DBED C#C[C@H](NC(=O)C(=O)NCCCn1cccn1)[C@@H]1CCCO1 787053321 VIULWXMICXURHI-STQMWFEESA-N 304.350 -0.314 30 20 DBED C=CCN1CC[C@H](OC(=O)CN(C)CC(=O)NC(C)C)C1=O 803693987 GCQOJILHOPMAJV-LBPRGKRZSA-N 311.382 -0.227 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@@H]1CCc2c[nH]nc2C1)[C@@H]1CCCO1 806306015 ZISQEFSWASADGQ-DYEKYZERSA-N 316.361 -0.320 30 20 DBED Cc1nc2cc(O)nn2c(C)c1CC(=O)N[C@H]1CNC[C@H]1C#N 834483985 BZPNJRZWIHTMFV-PWSUYJOCSA-N 314.349 -0.178 30 20 DBED N#C[C@@H]1CNC[C@H]1NC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 834517089 PYNSXJURVFFFOL-IWSPIJDZSA-N 304.272 -0.375 30 20 DBED C#CCN1CCN(S(=O)(=O)N=S(=O)(CC)CC)CC1 867023353 RFBXZDMKDBMLKQ-UHFFFAOYSA-N 307.441 -0.010 30 20 DBED C#C[C@@H](NC(=O)CN1CCCCS1(=O)=O)[C@H]1CCCO1 879537695 HQQSIRRYYJYMJR-VXGBXAGGSA-N 300.380 -0.291 30 20 DBED C#CCN1CCN(C(=O)CON=C(N)c2ccc(F)cn2)CC1 883049334 JSOJHRKKCVAYPL-UHFFFAOYSA-N 319.340 -0.365 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2C[C@@H](N)[C@H](C)C2)C1=O 926356068 CZZANAUYOFBDPY-IJLUTSLNSA-N 308.382 -0.963 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)[C@H](C)C1 943229088 BQLKZRNPSMSIHY-YPMHNXCESA-N 318.377 -0.843 30 20 DBED CO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1NC(=O)c1csnn1 943732608 HYNVILQLILISNZ-QXFUBDJGSA-N 309.351 -0.347 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2CCN2C(=O)c2cnnn2C)cn1 951377031 OHYRXJGIRCEMFO-ZDUSSCGKSA-N 324.344 -0.164 30 20 DBED CN(C(=O)c1ccc(C#N)[nH]1)C1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 954088601 SYAKKESJGUWLEG-MNOVXSKESA-N 315.333 -0.709 30 20 DBED C#CCN1C[C@H](CNC(=O)c2c(C3CC3)cnn2C)[C@@H](O)C1 958122006 OFHWQFOIWRORMY-JSGCOSHPSA-N 302.378 -0.047 30 20 DBED Cn1ncc(C(=O)NC[C@@H]2CN(CC#N)C[C@@H]2O)c1C(F)F 958581939 VVSOBGMLRCRIGQ-SCZZXKLOSA-N 313.308 -0.096 30 20 DBED C#CCCN1C[C@H](O)[C@H](CNC(=O)c2nn(CC)nc2C)C1 958762015 CZDRDUWLZGSBIU-OLZOCXBDSA-N 305.382 -0.348 30 20 DBED C[C@H](NC(=O)c1c[nH]c(C#N)c1)[C@@H]1CCN(C(=O)C(N)=O)C1 959254727 DPPRGMVTJTUASJ-DTWKUNHWSA-N 303.322 -0.662 30 20 DBED N#Cc1ccc(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@@H]3CCOC3)C2)[nH]1 961799291 CALHGVWSNZFHMC-WQAKAFBOSA-N 318.333 -0.776 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H](NC(=O)Cn2nccn2)CC1 964929750 HMXZYKYKRFCWRR-NWDGAFQWSA-N 304.354 -0.065 30 20 DBED C[C@H]1CCN(CC#N)C[C@H]1NC(=O)c1cn(C)c(=O)nc1O 968638808 CDIUPQXAXBZHOT-GXSJLCMTSA-N 305.338 -0.550 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C(C)(F)F)C[C@@H]1O 970700480 QLVQINUNUMFUIG-ZNSHCXBVSA-N 318.320 -0.079 30 20 DBED CN(CC#N)[C@H]1CCN(C(=O)Cn2nc3ccccn3c2=O)C1 972044985 LQIZDXMSKVGUHN-LBPRGKRZSA-N 314.349 -0.448 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@]2(CN(CC(=O)NC3CC3)CCO2)C1 972297326 ICVXRKFWDKFTSG-MLGOLLRUSA-N 320.393 -0.272 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)[C@H]3CCNC(=O)CC3)[C@H]2C1 976872515 LKUVUHCDJXZZJV-SSKLVLDBSA-N 318.377 -0.365 30 20 DBED CC#CCN1C[C@H](NC(=O)Cn2c(O)nnc2O)C(C)(C)C1 977513041 KGYLNYRQBBGGDY-JTQLQIEISA-N 307.354 -0.461 30 20 DBED C#CCCN1C[C@H](NC(=O)C[C@H]2CC(=O)NC2=O)C(C)(C)C1 977685021 SVQDSJLILDDPSN-RYUDHWBXSA-N 305.378 -0.111 30 20 DBED C=CCn1cccc1C(=O)N(C)C[C@@H]1CCN1C(=O)C(N)=O 977878141 ISDBWDHDGXOLMW-NSHDSACASA-N 304.350 -0.168 30 20 DBED COc1cc(OC)nc(C(=O)NCC2[C@H]3CN(CC#N)C[C@H]23)n1 978368340 NMHLXBHUPZYCEZ-GHMZBOCLSA-N 317.349 -0.075 30 20 DBED C=CCN1C[C@H]2C[C@H](NC(=O)CN3C(=O)CNC3=O)CC[C@H]2C1 980247628 RVSPSZULAOWVMZ-YNEHKIRRSA-N 320.393 -0.059 30 20 DBED C#CCN1CCCN(C(=O)[C@H](Cn2cccn2)N(C)C)CC1 981326937 MONJQOGKYKNCFO-HNNXBMFYSA-N 303.410 -0.019 30 20 DBED O=C(NC[C@@H]1CCN(C(=O)C#CC2CC2)C1)[C@@H]1COCCO1 982742202 MQHUFOAQNLSUNI-KBPBESRZSA-N 306.362 -0.220 30 20 DBED COCC(=O)N1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@H](O)C1 991404417 RNPBTJUJJRLJDZ-VXGBXAGGSA-N 306.322 -0.776 30 20 DBED Cc1nc(C)c(CC(=O)NC2CN(C(=O)[C@H](C)C#N)C2)c(O)n1 991686375 JVEKEZNIXVUVJR-MRVPVSSYSA-N 317.349 -0.172 30 20 DBED CC(=O)N1CC(n2cc(CNC(=O)c3c[nH]c(C#N)c3)nn2)C1 994705616 XUBGOAPZDNNDPO-UHFFFAOYSA-N 313.321 -0.189 30 20 DBED NC(=O)N1CCC[C@H]1C(=O)NC1CN(C(=O)C#CC2CC2)C1 994945759 MOKRAVPRRUAJME-LBPRGKRZSA-N 304.350 -0.730 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)Cn3ccnc3)C2)nc1 997087850 MLULKIOSMIYZLO-UHFFFAOYSA-N 309.329 -0.100 30 20 DBED Cc1ccc(=O)n(CC(=O)NC2CN(C(=O)[C@H](C)C#N)C2)n1 997202766 KEPXLSUXMOTTIE-SECBINFHSA-N 303.322 -0.962 30 20 DBED N#CCN[C@@H]1CCCN(C(=O)c2cc(=O)n3[nH]cnc3n2)C1 1000696743 URBHLJKCEDDVEN-SECBINFHSA-N 301.310 -0.865 30 20 DBED C#CCN1CCC(NC(=O)Cc2c(C)nc(O)nc2O)CC1 1003836854 LRVDOHUBKVUJQH-UHFFFAOYSA-N 304.350 -0.047 30 20 DBED CC#CCN1CCC(N(C)C(=O)CN2CCN(C)C(=O)C2)CC1 1005628994 NYHVONHFXYIQGC-UHFFFAOYSA-N 320.437 -0.294 30 20 DBED CC#CCN1CCC(N(C)C(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 1005982871 BBDVHKCSPNOFQR-UONOGXRCSA-N 307.394 -0.035 30 20 DBED C#CCN1CCC2(CC1)C[C@@H]2NC(=O)CN1CCNC(=O)C1 1016760706 CEBJSHLKJCYDDS-ZDUSSCGKSA-N 304.394 -0.978 30 20 DBED C=C(C)CN1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CC(=O)NC(=O)N1 1018006901 FMZWQOBLNRISBJ-TUAOUCFPSA-N 306.366 -0.164 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(CCN(C(=O)CC(N)=O)C2)C1 1019456467 QLOKZDXQHZAIIQ-NEPJUHHUSA-N 321.377 -0.486 30 20 DBED C#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)CN2CC(=O)NC2=O)C1 1021689038 UUHCFGKPBRXSEE-QWHCGFSZSA-N 318.377 -0.516 30 20 DBED C=CCN(C)[C@H]1CCCN(C(=O)CN2CCN(C)C(=O)C2)C1 1027468282 ATBMPYYTCCPHKA-AWEZNQCLSA-N 308.426 -0.131 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)Cc3ccn(C)n3)C2)C1=O 1030295880 IPFHBJADEASYBA-CQSZACIVSA-N 317.393 -0.450 30 20 DBED CC#CCN1CCO[C@@H](CNC(=O)c2ccnn2CCOC)C1 1035408695 SWMHRWCIEMWDHI-AWEZNQCLSA-N 320.393 -0.017 30 20 DBED C=CCN1CCO[C@H](CNC(=O)[C@@H]2CCc3nncn3C2)C1 1035609878 SKYDTHHPUXLZLK-CHWSQXEVSA-N 305.382 -0.157 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2CCN2[C@H]2CCNC2=O)nn1 1038788959 DAESMPAKQSAIKA-JQWIXIFHSA-N 304.354 -0.843 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CN(c3ncc(F)cn3)C[C@H]2O)c1 1040961941 QGLLFZCUTAUPMQ-VXGBXAGGSA-N 316.296 -0.205 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@]2(CCN(Cc3nnnn3C)C2)C1 1041147618 UBANHSIKWIVJME-BXUZGUMPSA-N 303.370 -0.206 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)c2cnccn2)C1 1041257545 FBACUWWLZZXGJH-UHFFFAOYSA-N 302.334 -0.417 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)[C@@H](C)n2cccn2)C1 1041614629 ZXHVJKWKHAJVAU-WDEREUQCSA-N 305.338 -0.707 30 20 DBED C=CCCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2cocn2)C1 1041874713 VNDKCZZQDDJELU-NSHDSACASA-N 323.349 -0.041 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)C[C@H]2COC(=O)C2)C1 1041956447 MDJXMHDUIFZURY-LLVKDONJSA-N 310.350 -0.405 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)Cn2cncc2C)C1 1042052518 MHAYAGAYAICUSG-UHFFFAOYSA-N 322.365 -0.916 30 20 DBED CC(C)(C)C#CC(=O)NCC1(O)CN(C(=O)[C@H]2CCOC2)C1 1042966167 PQWONUNOGQSQRQ-LBPRGKRZSA-N 308.378 -0.238 30 20 DBED N#Cc1cncc(N2C[C@H](O)[C@H](NC(=O)Cc3cnoc3)C2)n1 1044410191 FVSLASPAYGEMIZ-NEPJUHHUSA-N 314.305 -0.755 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)c2ccc(C#N)[nH]2)C1 1045541319 SYZLBVXLOICUKY-SECBINFHSA-N 301.306 -0.651 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)CC2=CCOCC2)C1 1045551973 PBVYHWJLVIYTHR-NSHDSACASA-N 307.350 -0.428 30 20 DBED N#CCN1CC[C@H](N2CCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)CC2)C1 1046055093 NPDFSIGDNOTUOD-BYNSBNAKSA-N 304.394 -0.379 30 20 DBED N#CCN1CC[C@H](N2CCN(C(=O)Cc3ncc[nH]3)CC2)C1 1046074119 SGJJJDFGDZIABU-ZDUSSCGKSA-N 302.382 -0.306 30 20 DBED CC#CCN1CC[C@@](C)(NC(=O)c2cn(C)c(=O)nc2O)C1 1046834687 VMSSTLQXXRTUCC-OAHLLOKOSA-N 304.350 -0.297 30 20 DBED CC#CCCCC(=O)N1CC(O)(CNC(=O)Cc2cnc[nH]2)C1 1047188692 SYLHXLFONJDEQA-UHFFFAOYSA-N 318.377 -0.165 30 20 DBED C=CCOCC(=O)N1C[C@H]2C[C@H](NC(=O)CC(=O)NC)C[C@H]1C2 1047479988 BGMMFKUJIOUQFX-RWMBFGLXSA-N 323.393 -0.179 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3nn[nH]c3C2)C1 1047597559 URTYLRWVSLJOKH-BPNCWPANSA-N 303.366 -0.954 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cc2cc[nH]n2)C1 1048604776 CTYMERXTTNZJLD-KBPBESRZSA-N 318.377 -0.358 30 20 DBED N#CCN1C[C@H]2CN(C(=O)[C@@]34C[C@H]5C[C@@H](C(=O)N3)[C@H]4C5)C[C@H]2C1 1048902258 BADJCCFZBGLPRA-WFKSBGGXSA-N 314.389 -0.185 30 20 DBED CC#CCN1C[C@H]2CN(C(=O)[C@H]3CN(C(C)=O)CCO3)C[C@H]2C1 1049195212 AKUDXYSFVHXNQA-OWCLPIDISA-N 319.405 -0.353 30 20 DBED C=CCOCC(=O)N1CC[C@H]([C@H](C)NC(=O)c2cn(C)nn2)C1 1050296494 GQPGPXLAYQUCRN-RYUDHWBXSA-N 321.381 -0.016 30 20 DBED C=CCOCC(=O)N1CC[C@@H]([C@@H](C)NC(=O)c2nnn(C)n2)C1 1050304171 MUHUIQYTOJVWKJ-GHMZBOCLSA-N 322.369 -0.621 30 20 DBED N#CCN1CCOC[C@H]1CNC(=O)c1ccc2nncn2c1 1051164265 RQLYRLIKAJTACL-GFCCVEGCSA-N 300.322 -0.317 30 20 DBED C=CCOCC(=O)N1C[C@H](CNC(=O)CNC(N)=O)[C@@H](C)C1 1052212972 AMOWKTQZDYHJRA-QWRGUYRKSA-N 312.370 -0.932 30 20 DBED C=CCOCC(=O)N1C[C@@H](C)[C@@H](CNC(=O)Cn2nccn2)C1 1052221299 PJNHKPYLTJNATK-OLZOCXBDSA-N 321.381 -0.309 30 20 DBED C#CCN1CCC[C@@H](NC(=O)[C@H]2COCCN2C(C)=O)CC1 1052947368 OKWWPUCSIVCOMB-HUUCEWRRSA-N 307.394 -0.162 30 20 DBED COc1cnc(C(=O)NC[C@@H]2CCC3(CN(CC#N)C3)O2)nc1 1053629660 ATIRCJUOISESTK-NSHDSACASA-N 317.349 -0.028 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)c3cc4n(n3)CCO4)CO2)C1 1053830767 LPKHYOCMAIHWEU-LBPRGKRZSA-N 316.361 -0.128 30 20 DBED Cn1cc(C(N)=O)cc1C(=O)N[C@H]1COC2(C1)CN(CC#N)C2 1053858485 HZBGAQQVIRAYQQ-LLVKDONJSA-N 317.349 -0.779 30 20 DBED CN1C(=O)CC[C@@H]1CC(=O)N[C@@H]1COC2(C1)CN(CC#N)C2 1053889353 IBUOTICWHXLPQW-NWDGAFQWSA-N 306.366 -0.520 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)c3cnc(O)n3C)CO2)C1 1053891411 JDSJVSVCFKVPMD-LLVKDONJSA-N 304.350 -0.278 30 20 DBED C[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1NCC(=O)N1CCOCC1 1054637076 LTKMHHFWZDPYIE-ZFWWWQNUSA-N 319.405 -0.305 30 20 DBED COCCC(=O)NC1CCN(CCNC(=O)[C@@H](C)C#N)CC1 1055629631 FWNABTYNNKURSK-LBPRGKRZSA-N 310.398 -0.121 30 20 DBED COCC(=O)N1CCC[C@@](CO)(NC(=O)CSCC#N)C1 1055784568 WOPGFCWPLSHVPO-CYBMUJFWSA-N 315.395 -0.641 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@](CO)(NC(=O)c2cnns2)C1 1055799129 XHDRWASSEIKVIK-TVQRCGJNSA-N 323.378 -0.219 30 20 DBED CC(C)C#CC(=O)N1CC[C@H]2[C@H]1CCCN2C(=O)CNC(N)=O 1056220782 NSFYVJUNCNOCOT-OLZOCXBDSA-N 320.393 -0.094 30 20 DBED C=CCn1cc(C(=O)NCCN(CCO)C(=O)C(F)F)nn1 1056750848 HMQBJQIVZOXELR-UHFFFAOYSA-N 317.296 -0.720 30 20 DBED C=CCC(C)(C)C(=O)NCCN(CCO)C(=O)Cn1cnnn1 1056931613 WJAHUPDDWLNCHL-UHFFFAOYSA-N 324.385 -0.788 30 20 DBED Cc1nnsc1C(=O)N(CCO)CCNC(=O)[C@H](C)C#N 1056936744 ITYTZWUVYLEOEX-MRVPVSSYSA-N 311.367 -0.443 30 20 DBED N#Cc1cncc(N2CCCN(C(=O)Cc3nc[nH]n3)CC2)n1 1057175318 DFFRANXUGGADGE-UHFFFAOYSA-N 312.337 -0.252 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)Cc1cnn(C)c1 1057193829 PWRGJUWYQVYGOB-UHFFFAOYSA-N 324.381 -0.898 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)c1ccn(C)c1 1057342357 CBPLISORCMFSLT-UHFFFAOYSA-N 309.366 -0.222 30 20 DBED N#Cc1cncc(NC2CCN(C(=O)[C@H]3CNC(=O)N3)CC2)n1 1057409504 ZZUUKISIBFOUBY-LLVKDONJSA-N 315.337 -0.567 30 20 DBED C=C[C@](C)(O)CC(=O)N(CCO)CCNC(=O)C#CC1CC1 1057449642 FHRKOOPZPCNRJN-INIZCTEOSA-N 308.378 -0.336 30 20 DBED C=CCCOCC(=O)N(CCO)CCNC(=O)c1cnc(C)[nH]1 1057919186 PUMWOZJYMNZEJY-UHFFFAOYSA-N 324.381 -0.138 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)c1csnn1 1058185698 DCMTVCKQSMMLHA-UHFFFAOYSA-N 310.379 -0.108 30 20 DBED CN1CCO[C@@H](C(=O)N[C@@H]2CCN(c3ccnc(C#N)n3)C2)C1 1058317337 UNYAISMDZBGPHE-VXGBXAGGSA-N 316.365 -0.626 30 20 DBED Cc1nc(CC(=O)N[C@H]2CCN(c3ccc(C#N)nn3)C2)n[nH]1 1058351867 DZUUPIKKOUJSSR-NSHDSACASA-N 312.337 -0.288 30 20 DBED C=CCCC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1COC(=O)N1 1061408445 VMGSHOOGUUQAFS-QWRGUYRKSA-N 311.338 -0.595 30 20 DBED Cc1nc(CC(=O)NC[C@@H]2COCCN2C(=O)[C@@H](C)C#N)n[nH]1 1061575653 WGVUKMSJFTYRIT-GXSJLCMTSA-N 320.353 -0.841 30 20 DBED C=CCCOCC(=O)NC[C@@H]1COCCN1C(=O)c1cn[nH]c1 1061667135 ZQCYGIHLDUDQEL-CYBMUJFWSA-N 322.365 -0.040 30 20 DBED C=CCOCC(=O)N1CCOC[C@@H]1CNC(=O)c1ccncn1 1061806125 HSLNAVGISJYJNH-LBPRGKRZSA-N 320.349 -0.364 30 20 DBED Cc1nc[nH]c1CC(=O)N1CCOC[C@H]1CNC(=O)[C@@H](C)C#N 1061847990 OITUPJSGHWINHF-CMPLNLGQSA-N 319.365 -0.236 30 20 DBED CNC(=O)NCCC(=O)N1CCCC[C@@H]1CNC(=O)[C@@H](C)C#N 1062186562 FBYXYZOYNZGQGA-NWDGAFQWSA-N 323.397 -0.038 30 20 DBED N#Cc1cnc(NC[C@H]2CCCN2C(=O)[C@@H]2CCNC2=O)cn1 1063539102 NCGNYZMXMCJKNO-VXGBXAGGSA-N 314.349 -0.113 30 20 DBED C=CCO[C@@H](C)C(=O)NC1(CNC(=O)[C@H]2CCNC2=O)CCC1 1063913190 RIHHCVRTECKJNR-RYUDHWBXSA-N 323.393 -0.131 30 20 DBED N#Cc1nccnc1N1[C@H]2CCC[C@H]1CN(C(=O)C(N)=O)C2 1064535475 XPIYSBSLTYJLJR-UWVGGRQHSA-N 300.322 -0.597 30 20 DBED C=CCCC(=O)N1CCO[C@@H](CNC(=O)CN2CCCC2=O)C1 1064952738 FJKRHRVDTJAQCN-ZDUSSCGKSA-N 323.393 -0.081 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)[C@H](C)NC(N)=O)CCO1 1065083957 PJMFGQWLTPDUEC-WDEREUQCSA-N 312.370 -0.647 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(C(=O)c2ncccn2)CCO1 1065515694 XCUKTWAJFGZKBE-CYBMUJFWSA-N 314.345 -0.153 30 20 DBED CCN(C)CCC(=O)N1CCO[C@H](CNC(=O)[C@@H](C)C#N)C1 1065611627 HARLCKRNHAASFC-QWHCGFSZSA-N 310.398 -0.169 30 20 DBED C=CCOCC(=O)N1CCC[C@H](NC(=O)[C@@H]2CCC(=O)N2)CC1 1066352752 YZUNDEBPVAJAQJ-STQMWFEESA-N 323.393 -0.035 30 20 DBED N#Cc1ccc(NC[C@H]2CC[C@H](NC(=O)C(N)=O)CC2)nn1 1066443606 JLDNMLDSZKQSMY-MGCOHNPYSA-N 302.338 -0.080 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)CCCN(C)C(=O)[C@H]1CCC(=O)N1 1067004413 GTKAGFUWROGPRL-QWHCGFSZSA-N 323.393 -0.390 30 20 DBED C[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@@H]1Nc1cnc(C#N)cn1 1067177320 ZIKGXQONYXZQCZ-SCZZXKLOSA-N 313.325 -0.556 30 20 DBED C#CCOCCC(=O)N(C)CCCN(C)C(=O)c1ncn(C)n1 1067333569 RMSVSRXNNOZQGU-UHFFFAOYSA-N 321.381 -0.225 30 20 DBED N#Cc1cnc(NCC2CC(NC(=O)[C@H]3CCC(=O)N3)C2)cn1 1067834875 DTWQKPIYEMKIGE-RTYFJBAXSA-N 314.349 -0.066 30 20 DBED N#Cc1ccc(N[C@@H]2CCC[C@H]3CN(C(=O)C(N)=O)C[C@@H]32)nn1 1069319528 WFASCHIITZUFTH-ZMLRMANQSA-N 314.349 -0.127 30 20 DBED N#CCN[C@@H]1CN(C(=O)CC2(O)CCC2)C[C@@H]1n1ccnn1 1070191453 ATAAUQFGUBEGRQ-NEPJUHHUSA-N 304.354 -0.552 30 20 DBED C=CCOCC(=O)N1CCC[C@@H](NC(=O)[C@@H]2COC(=O)N2)C1 1070554242 MJGGEZRQRRNDFV-MNOVXSKESA-N 311.338 -0.595 30 20 DBED N#CCN1CCOC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CCOC2)n1 1070581761 JMPDVEAKCXKYCG-WDEREUQCSA-N 320.353 -0.646 30 20 DBED N#CCN1C[C@H]2C[C@@H]3CN(C(=O)CO[C@@H]4CCOC4)C[C@@]3(C1)O2 1070799832 LMAKYJGBNQZCJN-IXYNUQLISA-N 321.377 -0.383 30 20 DBED COC[C@@H](C)N1CCNC(=O)CCN(C(=O)[C@@H](C)C#N)CC1 1070948151 APXZPVSTVFTBCT-QWHCGFSZSA-N 310.398 -0.169 30 20 DBED C[C@H]1CO[C@H](C(=O)N2CCC(=O)NCCN(CC#N)CC2)C1 1070980911 AOCFYURFYZFCLB-OLZOCXBDSA-N 308.382 -0.415 30 20 DBED N#CCN1CCNC(=O)CCN(C(=O)CN2CCCC2)CC1 1071020570 JKOHMFDGVNKWMB-UHFFFAOYSA-N 307.398 -0.744 30 20 DBED C[C@H]1CN(C(=O)c2nnn(C)n2)C[C@@H]1NC(=O)CSCC#N 1072543195 JFACCHIQBHCVNG-IUCAKERBSA-N 323.382 -0.956 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)c2coc(C(N)=O)c2)C1 1073706131 IYQBSIVCPXURPI-GFCCVEGCSA-N 305.334 -0.168 30 20 DBED CC#CCN1CCCO[C@H](CNC(=O)[C@@H]2CCN(C)C2=O)C1 1073732061 GMKJJSGYTNYMFR-KGLIPLIRSA-N 307.394 -0.305 30 20 DBED CC(C)N1CCO[C@@H](C(=O)NC[C@H]2CN(CC#N)CCCO2)C1 1073741492 UNLSSSPHKBSULZ-LSDHHAIUSA-N 324.425 -0.174 30 20 DBED C[C@@H](CCNC(=O)[C@H]1CCNC(=O)C1)NC(=O)C#CC1CC1 1076136724 JDWURCGMRCXULF-AAEUAGOBSA-N 305.378 -0.063 30 20 DBED C#CCN1C[C@@H]2CCN(C(=O)[C@@H]3CCc4nnnn4CC3)[C@@H]2C1 1076267726 GVPQETVDPYKMGZ-HZSPNIEDSA-N 314.393 -0.209 30 20 DBED C#Cc1ccc(C(=O)NCC[C@H](C)NC(=O)CC(=O)NC)nc1 1077631574 KUUXDQHGLVKCPI-NSHDSACASA-N 316.361 -0.176 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3nncn3C2)C1 1078219696 KDKBRNWTFGHKPK-JHJVBQTASA-N 303.366 -0.975 30 20 DBED Cn1nnnc1CNC[C@@H]1CN(C(=O)C#CC2CC2)CCCO1 1078398722 SBODLOJIRSILNZ-CYBMUJFWSA-N 318.381 -0.669 30 20 DBED CCN(C(=O)CCn1cnnn1)C1CN(C(=O)[C@H](C)C#N)C1 1080344257 QNBPMKLRFGDIKF-SNVBAGLBSA-N 305.342 -0.718 30 20 DBED CCN(C(=O)Cc1nc[nH]n1)C1CN(C(=O)CSCC#N)C1 1080591578 ROJJUUNCWJHELI-UHFFFAOYSA-N 322.394 -0.337 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CO)(NC(=O)c2cn[nH]c2)CC1 1080742272 GISWTIVRLCRPKK-SNVBAGLBSA-N 305.338 -0.347 30 20 DBED C[C@H](C#N)C(=O)NC1(CO)CCN(C(=O)CCCN(C)C)CC1 1080981654 JKFFMNRQBKKHGE-CYBMUJFWSA-N 324.425 -0.042 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1O 1081442903 ZUDYSJJHCCJIFJ-NWDGAFQWSA-N 319.365 -0.832 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)c2csnn2)C[C@@H]1O 1081445620 XWVJUCLWXYPBSD-JQWIXIFHSA-N 322.390 -0.109 30 20 DBED CCNC(=O)CC(=O)N1C[C@@H](O)[C@H](CNC(=O)C#CC(C)C)C1 1081463123 JPQKNPRDDVHELR-CHWSQXEVSA-N 323.393 -0.893 30 20 DBED C#CCN1C[C@@H](NC(=O)Cc2ccccc2C(N)=O)[C@H](OC)C1 1082015121 DRGTVLFKGUCGIG-HUUCEWRRSA-N 315.373 -0.223 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@@H]1CN(C(C)C)CCO1 1082064496 YLMAOWPQWJHBLB-MCIONIFRSA-N 310.398 -0.565 30 20 DBED N#Cc1ccccc1CN1C[C@H](O)[C@H](NC(=O)c2nc[nH]n2)C1 1083873642 JLHQYHODVMSMIX-OLZOCXBDSA-N 312.333 -0.349 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)c2nc3ncccn3n2)C1 1083877470 ZLEHOALWXANDFZ-MNOVXSKESA-N 302.338 -0.525 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)c3cnc(O)n(C)c3=O)[C@@H]2C1 1084570031 RJQJDBPYVSJIGY-ZYHUDNBSSA-N 302.334 -0.735 30 20 DBED Cn1cc([C@@H]2CN(C(=O)C3(C(N)=O)CC3)C[C@H]2NCC#N)cn1 1086994427 ALPRRGUIZPIGQK-NWDGAFQWSA-N 316.365 -0.907 30 20 DBED CCN(c1ccncc1C#N)[C@H](C)CNC(=O)Cn1cnnn1 1089585265 PXLRZRHGQFUSEZ-LLVKDONJSA-N 314.353 -0.029 30 20 DBED N#CCN1C[C@H]2[C@@H]3CC[C@@H](CN3C(=O)Cn3cnnc3O)[C@H]2C1 1089796651 VAPUPWOMJOAVHB-LOWDOPEQSA-N 316.365 -0.324 30 20 DBED C=C(C)CCN1CC[C@H](NC(=O)C2CN(C(C)=O)C2)[C@H](O)C1 1090219179 MMBSBIFGTSCNTR-LSDHHAIUSA-N 309.410 -0.018 30 20 DBED C#CCN1CC[C@@H](NC(=O)Cc2cnn3c2CCCC3)[C@H](O)C1 1090335398 AVGOVHVYCPHGAW-GDBMZVCRSA-N 316.405 -0.054 30 20 DBED COCCCC(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1O 1090375022 INYSLTGQYCZLAQ-VXGBXAGGSA-N 305.338 -0.559 30 20 DBED CC(C)OCC(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1O 1090379265 JYONGKWKFZWLBH-GHMZBOCLSA-N 305.338 -0.561 30 20 DBED C=CCCN1CC[C@H](NC(=O)Cc2cn(CC)nn2)[C@H](O)C1 1090442226 RDYXBUBANMKPBE-UONOGXRCSA-N 307.398 -0.032 30 20 DBED CCC[C@@H](OC)C(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1O 1090512425 HYQVZTXRZZIURQ-JHJVBQTASA-N 319.365 -0.171 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2cnc(C3CC3)nc2O)[C@@H](O)C1 1090629039 DXKNXFXNGFDQIX-OLZOCXBDSA-N 316.361 -0.142 30 20 DBED C#Cc1ccccc1CC(=O)N[C@@H]1CCN(CC(N)=O)C[C@H]1O 1090763833 MLTBFEBYQWEDOG-HUUCEWRRSA-N 315.373 -0.753 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2cccc(C(=O)NC)n2)[C@H](O)C1 1090768032 PQSUQKAMZIYQOK-BXUZGUMPSA-N 316.361 -0.761 30 20 DBED CCOCCC(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1091088590 IVWVXANTPLVTKB-MNOVXSKESA-N 305.338 -0.559 30 20 DBED CCOCCC(=O)N[C@@H]1CCN(c2cncc(C#N)n2)C[C@H]1O 1092154156 RXSQKORWDIDKJV-CHWSQXEVSA-N 319.365 -0.169 30 20 DBED CC(=O)N[C@@H](C)C(=O)N[C@H]1[C@@H]2CN(c3cncc(C#N)n3)C[C@@H]21 1093207491 HFNIVGABNVIKCT-HDRXNWCYSA-N 314.349 -0.576 30 20 DBED CC(=O)NC1(C(=O)NCCN=c2cc[nH]c(C#N)n2)CCCC1 1093723074 IGAQYMPBYBJSTH-UHFFFAOYSA-N 316.365 -0.253 30 20 DBED N#Cc1cnc(NCCNC(=O)c2cc(C(N)=O)co2)cn1 1094136418 JNMDILRKRMBTIW-UHFFFAOYSA-N 300.278 -0.118 30 20 DBED N#CCN1CC(n2cc(CNC(=O)C34CCN(CC3)C4)nn2)C1 1094335875 RSKSQHODOUYFBV-UHFFFAOYSA-N 315.381 -0.630 30 20 DBED C#CCCN1CC(N2C[C@H](NC(=O)[C@@H]3CCCO3)CC2=O)C1 1094702408 ZFUONEAQBWXBRF-OCCSQVGLSA-N 305.378 -0.410 30 20 DBED CC#CCN1CC(N2C[C@@H](NC(=O)[C@H]3CCCOC3)CC2=O)C1 1094711853 OUUVQGWDAQWQJC-KBPBESRZSA-N 319.405 -0.162 30 20 DBED CNC(=O)C1(C(=O)N2CC[C@@H](Nc3nccnc3C#N)C2)CC1 1095048046 QYDAGYOPQZERMR-SNVBAGLBSA-N 314.349 -0.113 30 20 DBED CN(CCCNC(=O)[C@@H]1CCNC(=O)C1)c1ccc(C#N)nn1 1095516472 VVIAKXAMMKVMIU-LLVKDONJSA-N 316.365 -0.183 30 20 DBED CCN(CCCNC(=O)[C@@H]1CCNC1=O)c1cnc(C#N)cn1 1095942616 JZJAEUQVJIOODQ-LBPRGKRZSA-N 316.365 -0.183 30 20 DBED CC(=O)N[C@H](C)C(=O)N[C@H]1CCN(c2ccnc(C#N)n2)C1 1096317258 OVEYNAAVSVTFBI-KOLCDFICSA-N 302.338 -0.432 30 20 DBED CCN1CCOC[C@@H]1C(=O)N1CCC(N(CC#N)CCO)CC1 1098414786 DTOSJCHMVSNWRG-OAHLLOKOSA-N 324.425 -0.484 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)Cn2cc(C)cn2)[C@H](O)C1 1099712965 RYTKDXZMUVCMEO-HUUCEWRRSA-N 320.393 -0.607 30 20 DBED CC(C)NC(=O)CN1CC[C@H](NC(=O)C#CC2CC2)[C@H](O)C1 1099826330 JKUCJQVYWSNPPB-UONOGXRCSA-N 307.394 -0.524 30 20 DBED Cc1occc(=O)c1OCC(=O)N[C@H]1CCN(CC#N)C[C@H]1O 1099916831 UJEINZSNMXWYIE-WCQYABFASA-N 321.333 -0.598 30 20 DBED COC(=O)[C@@H]1C[C@@H]1C(=O)NCCN(C)c1ccc(C#N)nn1 1099961389 RLXLXXRVDXTGLW-WDEREUQCSA-N 303.322 -0.290 30 20 DBED C#CCCN1CC[C@H](NC(=O)CCCS(C)(=O)=O)[C@@H](O)C1 1100031387 DRXBVDUMRRWKSA-STQMWFEESA-N 316.423 -0.614 30 20 DBED COCC#CCN1CC[C@H](NC(=O)CCc2cn[nH]c2)[C@H](O)C1 1100032663 ZJARAECDSSQDEV-LSDHHAIUSA-N 320.393 -0.457 30 20 DBED CN(CCNC(=O)c1cc(=O)n(C)o1)c1nccnc1C#N 1100077867 ZFUPJTGPHLOKMI-UHFFFAOYSA-N 302.294 -0.494 30 20 DBED COCC(=O)NCCC(=O)NCCN(C)c1ccc(C#N)nn1 1100375623 BRRFTYQFSMJVJK-UHFFFAOYSA-N 320.353 -0.947 30 20 DBED CN(CCNC(=O)C[C@H]1CCCC(=O)N1)c1cnc(C#N)cn1 1100412262 RXDMUUCGFZKPDR-LLVKDONJSA-N 316.365 -0.041 30 20 DBED CCCN(CCNC(=O)c1nnn(C)n1)c1cncc(C#N)n1 1101216121 WAGBOSGFGWDLOM-UHFFFAOYSA-N 315.341 -0.482 30 20 DBED Cc1cc(C#N)nc(NCCN(C)C(=O)[C@@H]2COCCN2C)n1 1101564178 HIFKUMXTZUCPAU-ZDUSSCGKSA-N 318.381 -0.142 30 20 DBED C=CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)Cc2nc[nH]n2)C1 1102505832 GPIGDKISBCPOAA-VXGBXAGGSA-N 320.397 -0.667 30 20 DBED CC[C@H](CNC(=O)c1nnn(C)n1)N=c1cc(C)[nH]cc1C#N 1103275711 PPHKTAYSUMVMAC-LLVKDONJSA-N 314.353 -0.172 30 20 DBED C#CCCNCc1cn(C2CN(C(=O)c3cnsn3)C2)nn1 1105171223 DQMZUBFKIGRPMU-UHFFFAOYSA-N 317.378 -0.060 30 20 DBED N#Cc1cncc(NC[C@H](O)CNC(=O)CO[C@@H]2CCOC2)n1 1105972621 OBUVYHILDHOVFQ-NWDGAFQWSA-N 321.337 -0.957 30 20 DBED N#Cc1cnc(NC[C@@H](O)CNC(=O)COCC(F)F)cn1 1106032953 YJNIGKNPLPNVRL-SECBINFHSA-N 315.280 -0.481 30 20 DBED N#Cc1cncc(NC[C@H](O)CNC(=O)CCc2cn[nH]c2)n1 1106135646 YDHLZWGJLXTXCF-LBPRGKRZSA-N 315.337 -0.407 30 20 DBED C#CCCN1CCO[C@](C)(CNC(=O)CCc2nc[nH]n2)C1 1107854936 PKLWSJFCNCBXOJ-OAHLLOKOSA-N 305.382 -0.032 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)CN(C)C(=O)C2CC2)C1 1107979701 LRVCMDUXQSVSFG-INIZCTEOSA-N 307.394 -0.305 30 20 DBED CN1C(=O)CC[C@@H]1CC(=O)NC[C@]1(C)CN(CC#N)CCO1 1108113925 YHIUDIUZDOEONK-IUODEOHRSA-N 308.382 -0.272 30 20 DBED C[C@@H]1CCCN(C(=O)C(=O)NC[C@]2(C)CN(CC#N)CCO2)C1 1108262073 CNOUUICJPSOWDQ-CZUORRHYSA-N 322.409 -0.024 30 20 DBED CSC[C@H](C)C(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1 1108522086 MWJHWKCHRZUGHF-WDEREUQCSA-N 310.423 -0.090 30 20 DBED COc1cncc(C(=O)N[C@@H](C)CN=c2cc[nH]c(C#N)n2)n1 1108526658 MHSPEMMVSVSOKV-VIFPVBQESA-N 313.321 -0.201 30 20 DBED C[C@@H](CN(C)c1cnc(C#N)cn1)NC(=O)[C@@H]1CCC(=O)N1C 1109179729 UZHOJQRFKQGRPV-JQWIXIFHSA-N 316.365 -0.090 30 20 DBED C[C@@H](CN(C)c1ncccc1C#N)NC(=O)[C@@H]1CNC(=O)N1 1109210945 LZIGROOJEGMPES-ONGXEEELSA-N 302.338 -0.424 30 20 DBED COC(=O)NCC(=O)N(C)CCCNc1cncc(C#N)n1 1109372994 BRXYYYGCHSVLBB-UHFFFAOYSA-N 306.326 -0.035 30 20 DBED CN(CCCNc1ncccc1C#N)C(=O)Cn1cnnn1 1109375194 QTNBOIUCQTXAOQ-UHFFFAOYSA-N 300.326 -0.100 30 20 DBED CN1CC[C@@H](C(=O)NCC2(Nc3cnc(C#N)cn3)CC2)C1=O 1110307415 ZMLDYNSSYOYZHK-NSHDSACASA-N 314.349 -0.113 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cc1cnc[nH]1 1111065901 ICQIZDAOSBQTCM-MCIONIFRSA-N 315.377 -0.577 30 20 DBED C=CCCOCC(=O)NC[C@H]1CN(c2ncccn2)C[C@@H]1O 1112731811 UXCRDVBHRYHRGL-STQMWFEESA-N 306.366 -0.017 30 20 DBED C=CCCn1cc(C(=O)N2CCN(C[C@H](O)COC)CC2)nn1 1113417391 DJUPSPCNIVDGPS-ZDUSSCGKSA-N 323.397 -0.381 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)/C=C/c3ccc[nH]3)[C@H]2C1 1114183636 CAQLVMGHTCLIPN-WXNHESDNSA-N 312.373 -0.176 30 20 DBED C#CCN1C[C@H]2C(NC(=O)COCc3ccnc(O)c3)[C@@H]2C1 1114466042 MRRQLZNOODFYFO-CHWSQXEVSA-N 301.346 -0.017 30 20 DBED Cc1cc(C#N)nc(N[C@H](CO)CNC(=O)c2cnn(C)c2)n1 1121023338 FDERDPYIIOBDPC-LBPRGKRZSA-N 315.337 -0.407 30 20 DBED CCc1nc(C#N)cc(N[C@H](CO)CNC(=O)c2cc[nH]n2)n1 1121144664 TYLRRCOTSBSWLQ-JTQLQIEISA-N 315.337 -0.163 30 20 DBED CCc1nc(C#N)cc(N[C@@H](CO)CNC(=O)[C@H](C)OC)n1 1121159311 SQVUTBXXMCANPY-GXSJLCMTSA-N 307.354 -0.165 30 20 DBED Cc1nnc(CC(=O)NC[C@@H](CO)N=c2cc[nH]cc2C#N)o1 1121432620 OHGADHWDNRSBNL-NSHDSACASA-N 316.321 -0.802 30 20 DBED CO[C@@H](C(=O)NC[C@H](CO)N=c1cc[nH]cc1C#N)C1CC1 1121505439 LQIKVXLBOJULPP-TZMCWYRMSA-N 304.350 -0.311 30 20 DBED Cn1ccc(C(=O)NC[C@@H](CO)Nc2ncccc2C#N)n1 1121581499 QJENWSICLDPSDD-NSHDSACASA-N 300.322 -0.110 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)c1ccco1 1124087156 ZSZOQHDTTPAFTL-SNVBAGLBSA-N 301.306 -0.092 30 20 DBED CN(C[C@@H](O)CNc1cncc(C#N)n1)C(=O)c1cn[nH]c1 1124179954 MLQDFHLDCMSUCQ-NSHDSACASA-N 301.310 -0.384 30 20 DBED CN(C[C@H](O)CN(C)c1ccnc(C#N)n1)C(=O)[C@@H]1CCCO1 1124940602 WODDPCYDUNKMMC-NEPJUHHUSA-N 319.365 -0.217 30 20 DBED COCC#CCNCCNC(=O)c1ccn(CCN(C)C)n1 1127559045 YTQXREPCADRRRC-UHFFFAOYSA-N 307.398 -0.586 30 20 DBED CCO[C@@H](C)C(=O)NCc1nc([C@H]2COCCN2CC#N)n[nH]1 1130831867 PXRPFCJMPXCFFC-WDEREUQCSA-N 322.369 -0.257 30 20 DBED COCC#CCNCCNC(=O)COCc1nnc(C)s1 1130889366 GFJAFYYETKPNND-UHFFFAOYSA-N 312.395 -0.281 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)CCNC(=O)NC)C[C@@]3(C1)O2 1131227248 KOVOAVIJHCTUOO-WOSRLPQWSA-N 320.393 -0.760 30 20 DBED C=CCOCCNC[C@@H]1CN(C(=O)Cn2cnnn2)CC[C@H]1C 1132616569 ANBUWLXGBHUCIJ-ZIAGYGMSSA-N 322.413 -0.050 30 20 DBED C[C@H]1CCN(C(=O)c2ncc[nH]2)C[C@@H]1CNCC(=O)NCC#N 1132799828 NVNUBFLSPYQBEP-RYUDHWBXSA-N 318.381 -0.263 30 20 DBED C#CCNC[C@H]1CN(C(=O)CCn2ncn(C)c2=O)CC[C@@H]1C 1132996522 BWXFAEAVOHOPJD-KBPBESRZSA-N 319.409 -0.321 30 20 DBED C=CCNC(=O)CNC[C@@H]1CN(C(=O)c2nc[nH]n2)CC[C@H]1C 1133182000 MKDMAVKZCHXZED-VXGBXAGGSA-N 320.397 -0.205 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)[C@@H]1CC12CC2 1134324093 UFMVBQCCYPVQLI-QWRGUYRKSA-N 308.382 -0.107 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)NCCNCc1cnn(C)n1 1134817187 PQUAOJAAAMXRQB-CYBMUJFWSA-N 308.386 -0.508 30 20 DBED Cc1ccccc1COCC(=O)NCCNCC(=O)NCC#N 1135017960 KMDXKMUQLDAEDF-UHFFFAOYSA-N 318.377 -0.143 30 20 DBED C=CCNC(=O)CNCCNC(=O)C(C)(C)N1CCOCC1 1135347282 XLNHCRQCQDZQFS-UHFFFAOYSA-N 312.414 -0.895 30 20 DBED CN(C)[C@H]1CCC[C@H](C(=O)NCCNCC(=O)NCC#N)C1 1147824510 KPDPFTQSDFFMNE-STQMWFEESA-N 309.414 -0.548 30 20 DBED N#CCNC(=O)CNCCNC(=O)[C@@H]1Cc2ccccc2CO1 1149552913 APYHUXORKDPKGL-AWEZNQCLSA-N 316.361 -0.527 30 20 DBED C#CCCN1CCCO[C@H](CNC(=O)CS(=O)(=O)CC)C1 1150772633 SSDFTGMSWUOOQB-CYBMUJFWSA-N 316.423 -0.349 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)Cn1cccn1 1151870453 LSDQZFUFHDUOOR-GFCCVEGCSA-N 306.370 -0.651 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)c1cnc(C)[nH]1 1152392337 NDKZTWOORULOMU-LLVKDONJSA-N 305.382 -0.092 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)CC[C@]1(C)CCC(=O)N1 1153906328 RWBAZTLZRLVYOW-BLLLJJGKSA-N 324.425 -0.168 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)c2ccc(O)nn2)C1=O 1154394647 HNUXNSILFKINBV-LBPRGKRZSA-N 319.365 -0.321 30 20 DBED C=C(C)CCC(=O)NCCCNCC(=O)N1CCNC(=O)C1 1159021738 ZUNFFAAEIQMWFR-UHFFFAOYSA-N 310.398 -0.603 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)[C@H]2CCNC2=O)C1=O 1163948968 YQPPQXAAKOGULL-VXGBXAGGSA-N 308.382 -0.995 30 20 DBED C#CCNC(=O)CN1CCO[C@@H]2CCN(C(=O)CCOC)C[C@H]21 1176876297 MOGLOIZDDIKLJD-ZIAGYGMSSA-N 323.393 -0.926 30 20 DBED C#CCNC(=O)CN1CCO[C@H]2CCN(C(=O)CCC)C[C@H]21 1176882179 MHYPIGPSVCELDC-KGLIPLIRSA-N 307.394 -0.162 30 20 DBED C[C@@H]1CN(C(=O)c2nccnc2C(N)=O)C[C@@]1(C)CNCC#N 1183356005 BNJCFQIPPHRNTR-MEBBXXQBSA-N 316.365 -0.213 30 20 DBED C[C@H]1CN(C(=O)C(F)F)CC[C@@H]1CNCC(=O)NCC#N 1183662452 KOJNWPOGCLTSNG-VHSXEESVSA-N 302.325 -0.035 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)c2cc(OC)n(C)n2)C1 1184116667 DRUWRMHNMXPXSZ-GFCCVEGCSA-N 306.366 -0.117 30 20 DBED O=C(C#CC1CC1)N1CCC[C@@H](n2cc(CNCCO)nn2)C1 1185944076 XQPLKOJCNNLEPB-OAHLLOKOSA-N 317.393 -0.063 30 20 DBED C=CCNC(=O)CN1C[C@@H]2CCN(C(=O)[C@@H]3CCOC3)[C@@H]2C1 1187100853 GKFJWRBSKGJWIR-BFHYXJOUSA-N 307.394 -0.142 30 20 DBED C#CCCN[C@@H]1CCN(C(=O)c2cn(CC(=O)N(C)C)nn2)C1 1188124925 GOEIYACLRMPDMS-GFCCVEGCSA-N 318.381 -0.806 30 20 DBED CN1CCCC[C@H]1C(=O)N1CC[C@@H](N(C)CC(=O)NCC#N)C1 1190947569 QRXTYCHRBBVUAR-KGLIPLIRSA-N 321.425 -0.357 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2oc(C)nc2C)C[C@H]1O 1192886620 UKBXQYDQOJTRIJ-ZIAGYGMSSA-N 321.377 -0.007 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C(C)(C)COC)C1 1194694593 SVPXPEDPPIEDTD-VXGBXAGGSA-N 313.398 -0.878 30 20 DBED C[C@](O)(CC(=O)N1CCCN(CC(=O)NCC#N)CC1)C1CC1 1195506540 ZQMUXGJISIPUGE-INIZCTEOSA-N 322.409 -0.288 30 20 DBED C=CCCCC(=O)N[C@@H]1CN([C@@H]2CCC(=O)NC2=O)C[C@H]1O 1195732848 MRJXQOYUUIEXAH-IJLUTSLNSA-N 309.366 -0.691 30 20 DBED C#CCOCCC(=O)N1CCCN(CC(=O)NC(=O)NC)CC1 1195823826 CFFRDPSKGNEHFJ-UHFFFAOYSA-N 324.381 -0.984 30 20 DBED C=CCCC(=O)N1CCCO[C@H](CNCc2nnnn2C)C1 1200074387 NSDUHBMTOAILNF-GFCCVEGCSA-N 308.386 -0.117 30 20 DBED C#CCNC(=O)CNC[C@H]1CN(C(=O)[C@H](F)CC)CCCO1 1201147592 OLVSEJHLLLXNNC-QWHCGFSZSA-N 313.373 -0.309 30 20 DBED C#CCCNC1CCN(C(=O)c2cnc(O)n(C)c2=O)CC1 1201930981 JOYJFLTTZZUTCH-UHFFFAOYSA-N 304.350 -0.297 30 20 DBED C=CCNC[C@H]1CN(C(=O)CC[C@@H]2NC(=O)NC2=O)CCCO1 1202022727 YEJHHEBDONHUEP-RYUDHWBXSA-N 324.381 -0.632 30 20 DBED C#CCN[C@@H]1C[C@H](NC(=O)CN(C)C(=O)COC)C12CCC2 1203007235 WTRJYJKMFKQYRX-OLZOCXBDSA-N 307.394 -0.259 30 20 DBED C#CCCN1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)C(N)=O)C1 1205182007 RLCAMKFNMFQKKW-HUUCEWRRSA-N 315.373 -0.431 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)C[C@@H]1CCOC1 1206699636 ZVOKPJHPZKPKLY-FRRDWIJNSA-N 308.382 -0.511 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(C)C2)C1 1208265025 QZYAHPXXQMVJGB-OLZOCXBDSA-N 322.409 -0.653 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)C[C@@H]2CCC(=O)N2)C1 1210079829 IDPNEWQWIFAUGM-STQMWFEESA-N 322.409 -0.462 30 20 DBED C#CCOCCC(=O)N1C[C@@H](N[C@@H](C)C(=O)NC(N)=O)[C@H](C)C1 1214595555 QVXAAUKVUIIZMG-GRYCIOLGSA-N 324.381 -0.954 30 20 DBED CC(C)(C)C#CC(=O)N1CCO[C@@H]2CN([C@H]3CCNC3=O)C[C@@H]21 1217843733 HJIFKOBBDVSGRO-MELADBBJSA-N 319.405 -0.164 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)C#CC(C)C)C1 1219589272 WGDAJODIRFZOKZ-MCIONIFRSA-N 307.394 -0.502 30 20 DBED Cn1nccc1CCN1C[C@H](O)[C@H](NC(=O)C#CC2CC2)C1 1219591529 IWBYAIGXMNJVMG-CABCVRRESA-N 302.378 -0.463 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3ccncc3)[C@@H]2C1 1221226153 ZEXYMKWWLSSNOC-HUUCEWRRSA-N 312.373 -0.023 30 20 DBED COCC#CCN1CCC(CNC(=O)[C@@H]2CCC(=O)NC2)CC1 1223701661 PAARUFNLZNRXLW-OAHLLOKOSA-N 321.421 -0.009 30 20 DBED Cc1[nH]nc(C(=O)NC2CCN(CC(=O)NCC#N)CC2)c1C 1226681897 UNZBKHBXVKQCID-UHFFFAOYSA-N 318.381 -0.139 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC(NC(=O)Cc2ccon2)CC1 1226699896 VMCMBUOGIPDKFA-LBPRGKRZSA-N 318.377 -0.064 30 20 DBED CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)C(=O)Nc1cccc(C#N)n1 1261460207 VNHUGHTZPLKNTG-MNOVXSKESA-N 315.333 -0.077 30 20 DBED Cc1cc(NC(=O)C(=O)N2C[C@@H](O)C[C@H]2CO)ncc1C#N 1261548036 BROCHLKDTUPFNA-QWRGUYRKSA-N 304.306 -0.846 30 20 DBED CC(C)NC(=O)CNC(=O)NCCN/C(O)=C1\N=CC=CC1=O 1318521596 OJWKDXUVHSRWGZ-OUKQBFOZSA-N 323.353 -0.663 30 20 DBED N#CCN1CCC(NC(=O)C(=O)N[C@@H]2CCN(C3CC3)C2)CC1 1321889729 SOXQPDFSIJECJP-CYBMUJFWSA-N 319.409 -0.557 30 20 DBED C#CCNC(=O)C1CCN(C(=O)C(=O)N[C@@H](CC)COC)CC1 1323028920 BSXRLDYUOHWAQA-ZDUSSCGKSA-N 323.393 -0.484 30 20 DBED CN1C(=O)CN(NC(=O)C(=O)Nc2ccc(F)c(C#N)c2)C1=O 1324382756 MJCFVYGCSKWDNI-UHFFFAOYSA-N 319.252 -0.439 30 20 DBED N#CCNC(=O)CNC(=O)CSCC(=O)N1CCCCC1 1329329081 GSNWDOLJJUSZAD-UHFFFAOYSA-N 312.395 -0.512 30 20 DBED C#CCN(C(=O)C(=O)N1C[C@H](C)N(CCO)[C@H](C)C1)C(C)C 1335150844 MLLLNXQYLYOWRG-OKILXGFUSA-N 309.410 -0.230 30 20 DBED CC#CCCNC(=O)C(=O)NCCCN(CC)S(C)(=O)=O 1345302336 ACKCOGVQAYVPNR-UHFFFAOYSA-N 317.411 -0.696 30 20 DBED C=CCN1CCC(NC(=O)C(=O)NC[C@H](COC)OC)CC1 1346143488 QBFGKHNDPIANIY-CYBMUJFWSA-N 313.398 -0.469 30 20 DBED COC(=O)C1(C#N)CCN(C(=O)[C@H]2OCCN(C)C2=O)CC1 1350759398 QHZOAPKVVWTKJH-JTQLQIEISA-N 309.322 -0.851 30 20 DBED N#Cc1cn(CCC(=O)N2CC[C@](O)(C3CC3)C2)c(=O)nc1O 1362454873 GFWGDTNDVQJPFJ-OAHLLOKOSA-N 318.333 -0.416 30 20 DBED C[C@@H]1CN(Cc2cc(O)n3ncc(C#N)c3n2)CCN1CCO 1363223631 PCZCUGVIAWDNMZ-LLVKDONJSA-N 316.365 -0.195 30 20 DBED CC[C@H](C)NC(=O)CCNS(=O)(=O)N1CCO[C@H](C#N)C1 1364075686 RJZSMXVVFCYHBI-WDEREUQCSA-N 318.399 -0.650 30 20 DBED Cc1nc([C@@H]2CCCN(c3[nH]c(=O)n(C)c(=O)c3C#N)C2)n[nH]1 1364169451 HZNZAYRVMSTPEW-SECBINFHSA-N 315.337 -0.244 30 20 DBED Cc1nc([C@@H]2CCN(c3c(C#N)c(=O)n(C)c(=O)n3C)C2)n[nH]1 1364208092 YVMINJMNQTXAHZ-SECBINFHSA-N 315.337 -0.624 30 20 DBED C[C@@H](CNC(=O)NCCn1cc(C#N)c(O)nc1=O)N(C)C 1364275309 ZJUWFTXZKGUNMN-VIFPVBQESA-N 308.342 -0.930 30 20 DBED C[C@@H](CNC(=O)Cn1cc(C#N)c(O)nc1=O)N1CCCC1 1364483369 RUAMWXBBMPGUTK-JTQLQIEISA-N 305.338 -0.579 30 20 DBED CCCS(=O)(=O)CC(=O)N(C)C[C@H](C)NC(=O)[C@H](C)C#N 1370515606 HBJLPZOERJGNOY-MNOVXSKESA-N 317.411 -0.066 30 20 DBED C[C@H](C#N)C(=O)NCCN1CCN(C(=O)[C@@H]2CCCCO2)CC1 1372215706 BVWOUONWEXMREW-KGLIPLIRSA-N 322.409 -0.024 30 20 DBED C[C@@H](CNC(=O)[C@H](C)C#N)NC(=O)C(C)(C)S(C)(=O)=O 1373073930 OWJSJVGZPQSEGI-BDAKNGLRSA-N 303.384 -0.410 30 20 DBED CCn1cnc(C(=O)N(C)C[C@@H](O)CNC(=O)[C@@H](C)C#N)c1 1396036271 RWCZLNVNOTXRJS-QWRGUYRKSA-N 307.354 -0.388 30 20 DBED CC[C@@H](C)OCC(=O)NC[C@@H](O)CNC(=O)c1cc(C#N)c[nH]1 1399820929 NKFCKIKIRQGKKF-ZYHUDNBSSA-N 322.365 -0.092 30 20 DBED Cc1csc(=O)n1CCN1CC(O)(CNC(=O)[C@@H](C)C#N)C1 1402316631 IBIDUNGUJJEXQF-JTQLQIEISA-N 324.406 -0.459 30 20 DBED CCN(CCC#N)C(=O)CN(C)CCNC(=O)c1cnsn1 1403511585 QWAAACSIVXSLLD-UHFFFAOYSA-N 324.410 -0.038 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CCN(C(=O)CCc2cnn[nH]2)C1 1408414026 PTTWMIJLTQFVSH-QWRGUYRKSA-N 304.354 -0.138 30 20 DBED CCCN(CCNC(=O)[C@@H](C)C#N)C(=O)CCNC(=O)NC 1408885050 FQTWJIFEZXMVTG-NSHDSACASA-N 311.386 -0.180 30 20 DBED CCN1CCO[C@@H](C(=O)NC[C@H]2C[C@@H](NC(=O)[C@H](C)C#N)C2)C1 1414197272 LMDMTDYTFLVEJH-YIYPIFLZSA-N 322.409 -0.122 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CN(C)[C@H](C)C(=O)NC(N)=O)CC1 1420936500 RRPWDJWZFXMFHS-GHMZBOCLSA-N 323.397 -0.100 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNCC(=O)Nc1cccc(F)c1 1438983576 MTZFJQVYBMZRRW-GXFFZTMASA-N 322.340 -0.009 30 20 DBED C[C@H]1[C@@H](C)OCCN1C(=O)CCn1cc(C#N)c(O)nc1=O 1446519172 UMBMERPGAZLPON-VHSXEESVSA-N 306.322 -0.154 30 20 DBED CC(C)[C@H](C)NC(=O)CN1CC(O)(CNC(=O)[C@@H](C)C#N)C1 1446829919 SGPADDOFCQMDNW-RYUDHWBXSA-N 310.398 -0.530 30 20 DBED C=C(Cl)CN1CCOC[C@@H]1CNC(=O)CCNC(=O)NC 1447149455 CYBQNOPAJBFKFZ-NSHDSACASA-N 318.805 -0.125 30 20 DBED C[C@H](C#N)C(=O)NC1(C)CCN(CCNS(C)(=O)=O)CC1 1483962256 KHTHMSGWXYEKNJ-LLVKDONJSA-N 316.427 -0.334 30 20 DBED C[C@H](CS(C)(=O)=O)C(=O)N(C)CCNC(=O)[C@H](C)C#N 1528596986 PLYUZIZYDROCQG-NXEZZACHSA-N 303.384 -0.599 30 20 DBED CC[C@](C)(NC(=O)CCn1cc(C#N)c(O)nc1=O)C(=O)O 1571098784 ZDWIRDAVPYBUCK-ZDUSSCGKSA-N 308.294 -0.420 30 20 DBED C#C[C@@H]1CCCCN1C(=O)C(=O)NCC1(C(=O)O)CCOCC1 1588386597 SDYXVEAYNBCRLF-GFCCVEGCSA-N 322.361 -0.002 30 20 DBED C#CCn1ccc(CN(CC)C(=O)Cn2cc(C(=O)O)nn2)n1 1588509833 QBHBVKZVRLGVKO-UHFFFAOYSA-N 316.321 -0.145 30 20 DBED C=C[C@@H](OC(=O)[C@@H](C)n1cnc(-c2nn[nH]n2)n1)C(=O)OCC 1588525867 MFEDEFSFURURRZ-HTQZYQBOSA-N 321.297 -0.320 30 20 DBED C=C(C)C[C@@H](NS(=O)(=O)c1cn(C)c(=O)nc1O)C(=O)O 1588555412 ICJPQXMQBFSCCE-SSDOTTSWSA-N 317.323 -0.816 30 20 DBED C=C(C)CN(CC)C(=O)CN1CC(NC(=O)[C@@H]2C[C@H]2C(=O)O)C1 1588562835 IZJLSGMUZMDUNS-CHWSQXEVSA-N 323.393 -0.068 30 20 DBED CN(C(=O)C(=O)N1CCO[C@@](C)(C#N)C1)[C@H]1C[C@@H](C(=O)O)C1 1597983108 QGIXMGZVHMAFAF-RBZYPMLTSA-N 309.322 -0.551 30 20 DBED N#CCSCC(=O)N1CCN(C(=O)[C@@H]2C[C@H]2C(=O)O)CC1 1601076270 PHRYUJSBAOBNBF-NXEZZACHSA-N 311.363 -0.365 30 20 DBED C[C@@H](C(=O)NC1(C#N)CCC1)N1C[C@@H]2COC[C@]2(C(=O)O)C1 1602789415 SLGVAEJTVSSBSF-FIXISWKDSA-N 307.350 -0.030 30 20 DBED COC[C@H](CCNc1cnc(-c2nn[nH]n2)c(C#N)n1)OC 1605052784 OQORJKVIEALMEB-QMMMGPOBSA-N 304.314 -0.008 30 20 DBED C#CC[C@@H](NC(=O)CN1C(=O)c2ccccc2C1=O)C(=O)O 1609078678 BVMKECKIQOXMFK-LLVKDONJSA-N 300.270 -0.125 30 20 DBED N#CCC1(O)CN(C(=O)[C@@H]2CNC(=O)C[C@H]2C(F)(F)F)C1 1649949820 LXNRMSFWGXHKFG-HTQZYQBOSA-N 305.256 -0.212 30 20 DBED C#CCCN(CCCNC(=O)[C@@H]1CC(=O)NC(=O)N1)C1CC1 1752279160 QNZSJRIAXTULSF-LBPRGKRZSA-N 306.366 -0.422 30 20 DBED C[C@]1(C(=O)N[C@@H]2CCN(CC(=O)NCC#N)C2)CCCOC1 1752408392 VYVHBXPNGJLZHW-DOMZBBRYSA-N 308.382 -0.367 30 20 DBED C=CCNC(=O)CN1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1ncc[nH]1 1752543628 PQNADUBRFLWOHB-BETUJISGSA-N 317.393 -0.070 30 20 DBED CN(CCNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)CC(=O)NCC#N 1753052298 JYAJAPDYJZNNJY-GHMZBOCLSA-N 304.354 -0.799 30 20 DBED C#CCO[C@H](C)C(=O)NCCN(C1CC1)[C@@H]1CCC(=O)NC1=O 1753154408 HVHJXEPJLDVTPO-DGCLKSJQSA-N 321.377 -0.590 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@@H](C)NC(=O)c1ccc(O)nn1 1754217438 NBRSHYFEGYQVDU-NXEZZACHSA-N 305.338 -0.972 30 20 DBED C=CCNC(=O)[C@H](C)NC1(CNC(=O)c2cnn(C)c2N)CC1 1754511988 AJEQRGXLQFCHFD-JTQLQIEISA-N 320.397 -0.455 30 20 DBED C=CCNC(=O)CN1CC[C@@H](C2CCN(C(=O)C(N)=O)CC2)C1 1754535724 LYWOADNDLUESGW-CYBMUJFWSA-N 322.409 -0.666 30 20 DBED C=CCNC(=O)[C@H](C)N1CC(N(C)C(=O)[C@@H]2CCC(=O)N2C)C1 1754579865 GSGVHOUKOZTXNG-AAEUAGOBSA-N 322.409 -0.560 30 20 DBED CC#CCN[C@H]1CCN(C(=O)CCS(=O)(=O)NC)[C@@H](C)C1 1754594800 HAANNPHJKQFRQO-STQMWFEESA-N 315.439 -0.082 30 20 DBED C#CCN(C(=O)[C@H]1CCNC(=O)C1)C1CCN(CCCO)CC1 1754636829 NSTLHBRMTWQXMV-AWEZNQCLSA-N 321.421 -0.179 30 20 DBED CC(C)NC(=O)CNCCN(CCO)C(=O)c1ccc(C#N)[nH]1 1754880546 DCFGDRULZVSEGP-UHFFFAOYSA-N 321.381 -0.565 30 20 DBED CC(C)[C@H](CCN(C)C(=O)CN1CCC(=O)NC1=O)NCC#N 1755342932 NGQWQJQUYRSVAA-LBPRGKRZSA-N 323.397 -0.085 30 20 DBED C[C@H](NCC(=O)NCC#N)[C@H]1CN(C(=O)C(C)(C)F)CCO1 1755438046 HSHNWQWYCBYSJY-WDEREUQCSA-N 314.361 -0.420 30 20 DBED C#CCNC(=O)CNC[C@H]1C[C@H](NC(=O)c2cnc(C)n2C)C1 1755477097 ISWAIDCKVGLPBK-JOCQHMNTSA-N 317.393 -0.424 30 20 DBED CCOc1ccc(C(=O)NC[C@H](CO)NCC#CCOC)cn1 1755630364 HYFIMNCBAZPKHS-CQSZACIVSA-N 321.377 -0.190 30 20 DBED CC#CCNC[C@@H](O)CN(C)C(=O)[C@@]1(C)CCN(C(C)=O)C1 1755791452 LBCJBSJMDCUBLA-ZBFHGGJFSA-N 309.410 -0.323 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C[C@@H](O)CN(C)Cc1nncn1C 1755800424 IBAANITUQOCXHL-OLZOCXBDSA-N 323.397 -0.896 30 20 DBED C[C@@H](CNC(=O)C#CC1CC1)N(C)C(=O)C[C@H]1CCNC1=O 1756024770 UOMIXUINXUQTAE-WCQYABFASA-N 305.378 -0.111 30 20 DBED C=CCCC(=O)N[C@@H](C)C1CN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 1756131081 ZTENKLTVTAGFCY-ONGXEEELSA-N 322.365 -0.486 30 20 DBED CCNC(=O)CC(=O)N1C[C@H]2[C@H](CNC(=O)C#CC3CC3)[C@H]2C1 1756199445 WRRBJXYGSSYNGO-ZSOGYDGISA-N 317.389 -0.253 30 20 DBED C[C@H](C#N)C(=O)NCCOCCN(C)C(=O)[C@H]1CCC(=O)NC1 1756381758 OFVAYLOCJCEVSH-NEPJUHHUSA-N 324.381 -0.737 30 20 DBED C[C@@H](CN(C)C(=O)c1cc(C#N)c[nH]1)NC(=O)C1(C(N)=O)CC1 1756441199 LFVXOJQPTAZJMP-VIFPVBQESA-N 317.349 -0.271 30 20 DBED C#CCCCC(=O)N[C@@H](CO)CNC(=O)c1cnc(C)cn1 1756502538 ONEYOENHMSNTEV-GFCCVEGCSA-N 304.350 -0.205 30 20 DBED C#Cc1ccc(C(=O)N(C)C[C@H](O)CNC(=O)COCC)nc1 1756672022 NOYNHYXWUQDVKD-CYBMUJFWSA-N 319.361 -0.352 30 20 DBED Cc1c(C(=O)N[C@@H]2CN(C(=O)C#CC(C)C)C[C@@H]2O)cnn1C 1757154257 KIYMEVXPMAGLHN-KGLIPLIRSA-N 318.377 -0.311 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@H](NC(=O)CNC(=O)CC)C1 1757162258 UJFVHFRQJHNVDT-MNOVXSKESA-N 311.382 -0.587 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@@H](CNC(=O)[C@]2(C)CCNC2=O)C1 1757332823 UYOAIPHQYPUFDA-KIGUWFBYSA-N 306.366 -0.317 30 20 DBED O=C(O)Cn1cc(C=Nn2c(S)nnc2[C@@H]2CCCO2)nn1 1776023297 XPAIMQYSGWBWHI-QMMMGPOBSA-N 323.338 -0.023 30 20 DBED CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782010550 BWKFHRHKRMZVMZ-MLGOLLRUSA-N 322.361 -0.002 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)CN1CCCC1=O)CCO2 1783049719 OAXSARXGLBUCEA-MRXNPFEDSA-N 319.361 -0.928 30 20 DBED C=CC[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)C(O)O)CCO2)C1 1783109553 SKAOBWUTKPBUAJ-XHDPSFHLSA-N 312.366 -0.661 30 20 DBED CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791076181 XSIIOMBLPZGPFH-AVGNSLFASA-N 322.361 -0.146 30 20 DBED C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](C)NC(=O)NCC 1798388129 RSNMGCAAWILJKJ-RVMXOQNASA-N 320.393 -0.035 30 20 DBED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)C(C)C)CCO2 1830877104 XTVXKFLITNEKBI-GDBMZVCRSA-N 324.377 -0.907 30 20 DBED COc1ccc(C#N)cc1NC(=O)C(=O)NCC(=O)N(C)C 50147248 PGQLZKJXXZGFLY-UHFFFAOYSA-N 304.306 -0.290 30 20 DBED C=CCNC(=O)CN1CCCN(CC(=O)N2CCCC2)CC1 73605272 NUJHDBPPNAJOBG-UHFFFAOYSA-N 308.426 -0.081 30 20 DBED CN(CCCc1n[nH]c(N)c1C#N)CC(=O)N1CCOCC1 153247177 BSHYGEUILYUYCD-UHFFFAOYSA-N 306.370 -0.413 30 20 DBED Cc1ccc(C#N)cc1S(=O)(=O)NCCC(=O)NC(N)=O 268125587 CYWZEXZHUMVACO-UHFFFAOYSA-N 310.335 -0.270 30 20 DBED N#Cc1cccc(S(=O)(=O)NCCN2CCNC(=O)C2)c1 272693747 QEUGIWTVJNRQCL-UHFFFAOYSA-N 308.363 -0.732 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N1CCS(=O)(=O)C[C@@H](C)C1 277587147 WJTPGJAXWAXFSZ-WDEREUQCSA-N 317.411 -0.247 30 20 DBED C[C@@H](C(=O)NCCn1cnc(C#N)n1)n1nnnc1C(C)(C)C 286868141 NFTZZJGUJIAKPM-VIFPVBQESA-N 317.357 -0.189 30 20 DBED C=CCCN(C)C(=O)C(=O)N[C@@H](CC)C(=O)N1CCOCC1 287975269 BHWKNKAENAGFQB-LBPRGKRZSA-N 311.382 -0.226 30 20 DBED Cc1noc(C/N=C(/O)N[C@@H]2CCCN(S(C)(=O)=O)C2)n1 328828186 SXCJJBWQRJPTBA-SECBINFHSA-N 317.371 -0.194 30 20 DBED CN(C)C1CCN(CC/N=C(/O)N(C)[C@@H]2COC[C@H]2O)CC1 329365242 GHHLOYXZFKPTIH-ZIAGYGMSSA-N 314.430 -0.382 30 20 DBED CNC(=O)[C@H]1CCCN(C(=O)CNc2ccc(C#N)cn2)C1 330552589 NQDSDSWVFQSSNQ-LBPRGKRZSA-N 301.350 0.350 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCOC[C@H]2CC)C1=O 330794684 DOXOKXZTXIBLRN-SNVBAGLBSA-N 309.322 -0.399 30 20 DBED C[C@](C#N)(NC(=O)CN1CC[C@H](S(N)(=O)=O)C1)C1CC1 331703249 XFXCRVWKCAKDKC-CMPLNLGQSA-N 300.384 -0.842 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCN2C(=O)CC[C@H]2C1 336883910 HLZSZGQXFJPKDL-QWRGUYRKSA-N 300.384 -0.371 30 20 DBED CCN(CCC#N)S(=O)(=O)NCC1(O)CCN(C)CC1 337086866 FNNSPTSWQSJFMW-UHFFFAOYSA-N 304.416 -0.487 30 20 DBED COC(=O)[C@@H]1CN(S(=O)(=O)N(C)CCC#N)C[C@@H](C)O1 337959434 ICJHQGOCUXGQRL-ZJUUUORDSA-N 305.356 -0.661 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(C)[C@@H]2CCC[C@@H]2O)C1=O 341787039 FAQHDFGPCKYNIB-ZJUUUORDSA-N 309.322 -0.665 30 20 DBED N#Cc1ncn(CCNC(=O)Cn2nnc(-c3ccccc3)n2)n1 342885820 VHAZWXNMOKTCSK-UHFFFAOYSA-N 323.320 -0.380 30 20 DBED CC(C)(C)N1C[C@@H](C(=O)NCCn2cnc(C#N)n2)CC1=O 342891334 ZMKMAFXOATVVKO-JTQLQIEISA-N 304.354 -0.087 30 20 DBED N#Cc1ncn(CCNC(=O)NCC(=O)N2CCCCC2)n1 344282759 GGRFWOXXAVJGTM-UHFFFAOYSA-N 305.342 -0.539 30 20 DBED N#Cc1cccc(NC(=O)C(=O)NCCNc2cnccn2)c1 347777120 BATMEBCNKTUOOR-UHFFFAOYSA-N 310.317 0.515 30 20 DBED N#Cc1cc([N+](=O)[O-])cnc1N1CCN2C(=O)NC(=O)[C@H]2C1 351882043 VNVXJKWJNCBBMV-SECBINFHSA-N 302.250 -0.398 30 20 DBED COC(=O)C[C@]1(NS(=O)(=O)CC2(C#N)CC2)CCOC1 361971793 DWXJORASPQQAEB-GFCCVEGCSA-N 302.352 -0.068 30 20 DBED N#CCNC(=O)CNC(=O)N1CC[C@@](CO)(c2ccccc2)C1 362113984 PHLNTHDRBVHNCN-MRXNPFEDSA-N 316.361 -0.028 30 20 DBED C=CCNC(=O)CNC(=O)N[C@@H]1CCOC[C@H]1OCCOC 362767398 XZHBKLKXHPCVFA-VXGBXAGGSA-N 315.370 -0.592 30 20 DBED N#CCN1CCN(C(=O)[C@H]2COCCN2CC(F)F)CC1 408351086 BWWWLDMTXNEWDI-LLVKDONJSA-N 302.325 -0.380 30 20 DBED CCN1CCN(CC(=O)NCc2ccc(C#N)s2)C(=O)C1=O 421913799 JEFWDPPDUNZXQZ-UHFFFAOYSA-N 320.374 -0.073 30 20 DBED N#Cc1ncn(CC(=O)NCCNC(=O)c2ccc(O)cc2)n1 436683343 ZOHNYPLDZZBPNT-UHFFFAOYSA-N 314.305 -0.598 30 20 DBED C#CCN1CCN(C(=O)CN2C(=O)[C@@H]3CCCN3C2=O)CC1 490780816 RLFZABCOPPVOGN-LBPRGKRZSA-N 304.350 -0.810 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC[C@@H](CNS(C)(=O)=O)C1 490839682 JIFUUAGTTKVKGV-NEPJUHHUSA-N 301.412 -0.615 30 20 DBED COc1cc(C#N)ccc1NC(=O)C(=O)N[C@@H]1CCN(C)C1=O 547447245 XHISPMCIHYWXFK-LLVKDONJSA-N 316.317 -0.148 30 20 DBED Cn1c(N2C[C@@H]3[C@H]4C=C[C@@H](O4)[C@H]3C2)c(C#N)c(=O)n(C)c1=O 565726066 OENQWJYCBSBSIX-NNYUYHANSA-N 300.318 -0.655 30 20 DBED N#Cc1cccc(F)c1CC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1O 568529007 FSFZGJRXRZJAFU-VXGBXAGGSA-N 312.322 -0.486 30 20 DBED CC1(C#N)CN(C(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)C1 576445862 DTRLJFJPTFPXFA-LSKIRQOJSA-N 303.318 -0.479 30 20 DBED N#Cc1cc(NCCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)ncn1 580989453 DRDOOAMLSFGNQG-NUZBWSBOSA-N 309.329 0.567 30 20 DBED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CC[C@H](N)C2)cc1 583813307 KLHYBNOPFIBDOD-NSHDSACASA-N 308.363 -0.604 30 20 DBED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CCO[C@H]3C[C@@H]32)n1 590277755 TXOSTBXRJIHWMS-QWRGUYRKSA-N 317.349 0.448 30 20 DBED CC[C@H](C#N)C(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 593472065 DQGRERPUKLSPMA-OLZOCXBDSA-N 308.382 -0.415 30 20 DBED CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)NCC1(C#N)CCC1 596633066 VQVDMUBWBXHTHE-NXEZZACHSA-N 301.368 -0.209 30 20 DBED CN1CCN(C(=O)C(=O)Nc2cc(F)cc(C#N)c2)CC1=O 602029843 JOQFECGBBZCJHD-UHFFFAOYSA-N 304.281 -0.064 30 20 DBED C=C[C@](C)(O)C(=O)N1CCN(S(=O)(=O)CCCOC)CC1 612673688 JXCSDCGNJRUOKK-ZDUSSCGKSA-N 320.411 -0.566 30 20 DBED C=C[C@@](C)(O)C(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1 614190724 SBIBZJUABZNREE-DGCLKSJQSA-N 302.396 -0.050 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H](C)[C@@H]1CN(C)CCO1 619712244 MGPDKICBUHKYQG-WOPDTQHZSA-N 304.416 -0.369 30 20 DBED N#CCNC(=O)COC(=O)CNC(=O)c1ccc(F)c(F)c1 731242729 LOKDEQDEVDJNOI-UHFFFAOYSA-N 311.244 -0.122 30 20 DBED N#Cc1nc(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)[nH]c1C#N 748835845 HOVHBJIBWDHXBI-UHFFFAOYSA-N 313.233 -0.138 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)OCc2n[nH]c(CC)n2)C1=O 754806392 HSFLGRHJZDYXOD-UHFFFAOYSA-N 321.293 -0.613 30 20 DBED COCCNC(=O)[C@H](C#N)C(=O)c1cncc(C(=O)OC)c1 760198087 RXABUGQDNCLLCC-LLVKDONJSA-N 305.290 -0.047 30 20 DBED C#CCOCCNC(=O)[C@H](O)[C@H](O)c1nc2ccccc2[nH]1 779840943 UBOQKIYAXBPCRW-QWHCGFSZSA-N 303.318 -0.277 30 20 DBED C#CCNS(=O)(=O)c1cccc(C(=O)NCCOCC#C)c1 784766490 RZUUNKKTMHPPBJ-UHFFFAOYSA-N 320.370 -0.022 30 20 DBED C#CCC[C@H](O)CNC(=O)c1ccc(S(N)(=O)=O)cc1F 799076799 QUKPQWPXRMNMMK-VIFPVBQESA-N 314.338 -0.023 30 20 DBED CC(C)(C)NS(=O)(=O)CCNC(=O)[C@@](C)(C#N)CC(=O)O 819908465 FCPXLZMVZGWUFK-GFCCVEGCSA-N 319.383 -0.175 30 20 DBED CN(C)CC#CCNC(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1 823674941 IYFGEYFTXSCYKV-GFCCVEGCSA-N 303.366 -0.546 30 20 DBED N#C[C@H]1CNC[C@@H]1NC(=O)CNC(=O)Cc1cccc(F)c1 834490251 STZWPRRTUDPCQS-AAEUAGOBSA-N 304.325 -0.288 30 20 DBED CN(C)S(=O)(=O)c1c[nH]c(C(=O)N[C@H]2CNC[C@H]2C#N)c1 834521341 GUXUFWRETHYRGN-KCJUWKMLSA-N 311.367 -0.894 30 20 DBED O=C(Cc1ccc(O)cc1)NCC(=O)N[C@H]1CCCN(O)C1=O 848135379 MPCJROIGYARZEM-LBPRGKRZSA-N 321.333 -0.453 30 20 DBED C[C@@H](OC(=O)CSCC#N)C(=O)N1CCC[C@H](C(N)=O)C1 915386441 LWSFWPGBPNHVGY-ZJUUUORDSA-N 313.379 -0.101 30 20 DBED COCCN1C(=O)c2ccc(C(=O)NO)cc2S1(=O)=O 917609692 FEEJYEOXXJRYPQ-UHFFFAOYSA-N 300.292 -0.404 30 20 DBED O=C1CC[C@@H](CC(=O)N[C@@H]2CCN(C(=O)C#CC3CC3)C2)N1 941499979 CHTIWBWYAJPAFM-QWHCGFSZSA-N 303.362 -0.214 30 20 DBED CO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1NC(=O)C1=CCOCC1 941603810 YCDFTFZALBQDIU-RAIGVLPGSA-N 307.350 -0.165 30 20 DBED COc1cc(C(=O)N[C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)nn1C 941816281 GFTOLAKIOUATKB-VHSXEESVSA-N 305.338 -0.081 30 20 DBED C=CCCN1CC[C@@H](NC(=O)Cn2ncn(C)c2=O)[C@@H](C)C1 942200794 PGECIYQPBFRVKZ-QWHCGFSZSA-N 307.398 -0.016 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)c2ccn(C)n2)C1 944600585 KSBNEBLRUZAHTD-MNOVXSKESA-N 305.338 -0.463 30 20 DBED C#CCN1CC[C@H](NC(=O)CN2C(=O)CN(C)C2=O)[C@H](C)C1 944790249 OVHPXLXLZWEVDG-NEPJUHHUSA-N 306.366 -0.660 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(NC(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1 948110082 RJVLHWWGGBUJNK-OUCADQQQSA-N 322.409 -0.028 30 20 DBED C[C@@H](C(N)=O)N1CCOC2(CCN(C(=O)[C@H](C)C#N)CC2)C1 949320758 VAMDXGQRUCUXMY-NEPJUHHUSA-N 308.382 -0.287 30 20 DBED Cn1cc(C(=O)NC[C@@H]2CCN2C(=O)c2ccc(C#N)[nH]2)nn1 949718461 NIOOCHBWESCJLV-JTQLQIEISA-N 313.321 -0.341 30 20 DBED C#CCN1CCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)CC1 950475288 XYOQZSQUZRZUDD-CABCVRRESA-N 319.405 -0.066 30 20 DBED CCn1nc(C(=O)NC[C@@H]2CCN2C(=O)[C@@H](C)C#N)ccc1=O 951565293 KZFGRASWDMHJQK-QWRGUYRKSA-N 317.349 -0.246 30 20 DBED C=C(C)CN1C[C@@H](O)[C@@H](CNC(=O)c2nc3ncccn3n2)C1 958507056 KMRSGDCXEIUHLP-NWDGAFQWSA-N 316.365 -0.277 30 20 DBED CC[C@H](C(N)=O)N1C[C@H]2[C@H](NC(=O)c3ccc(C#N)[nH]3)[C@H]2C1 958590065 KJNNJTUCRLISAU-DNIRFERGSA-N 301.350 -0.190 30 20 DBED Cc1ccn2ncc(C(=O)NC[C@H]3CN(CC#N)C[C@H]3O)c2n1 958599608 SAANLYURZJQPKA-WCQYABFASA-N 314.349 -0.416 30 20 DBED C#CCCN1C[C@H]2C(NC(=O)c3cnc(O)n(C)c3=O)[C@@H]2C1 961464320 CJXWRTPQNKORGP-GHMZBOCLSA-N 302.334 -0.831 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)C[C@@H]3CCNC3=O)C[C@@H]2C1 961698744 KBYGIBLPTXIESR-XQHKEYJVSA-N 318.377 -0.411 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)c1ccnn1C 964106532 HTPOZXMRKJBCRN-QWRGUYRKSA-N 305.338 -0.463 30 20 DBED C=CCNC1CC2(C1)CC(NC(=O)[C@@H]1CC(=O)NC(=O)N1)C2 965295146 IXUMDOPGKFBDNQ-RUIJOYPPSA-N 306.366 -0.213 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)c3ncn(C)n3)C[C@@H]2O)C1 970395216 UHFOBIWUUAGQPN-MNOVXSKESA-N 319.365 -0.527 30 20 DBED N#CCN1CCO[C@]2(CCN(C(=O)[C@@H]3CCNC(=O)C3)C2)C1 972337782 AJFASKFRQKHPHY-IUODEOHRSA-N 306.366 -0.661 30 20 DBED C=CCN1CCO[C@]2(CCN(C(=O)c3c[nH]c(=O)cn3)C2)C1 972523386 INLNQIKSNDYNDJ-OAHLLOKOSA-N 304.350 -0.127 30 20 DBED O=C1NCC[C@H]1C(=O)NC[C@@H]1CCCN(C(=O)C#CC2CC2)C1 975440001 VDJDKHBJFSCBKA-UONOGXRCSA-N 317.389 -0.109 30 20 DBED N#CCN1C[C@@H]2C(CNC(=O)[C@H]3CCCCN3C(N)=O)[C@H]2C1 978950579 OAIKENMSQXHFBD-JHJVBQTASA-N 305.382 -0.263 30 20 DBED CC#CCN1C[C@H]2[C@H](CNC(=O)[C@H]3CN(C(C)=O)CCO3)[C@H]2C1 979010610 DHHXPCDNMJSXPJ-LVQVYYBASA-N 319.405 -0.449 30 20 DBED C#CCN[C@H]1CCN(C(=O)c2ccc(-n3cnnn3)cn2)[C@@H]1C 986601933 MYINTVCRGGYWTH-YPMHNXCESA-N 311.349 -0.117 30 20 DBED C[C@@H]1[C@@H](NC(=O)[C@H]2COCCN2C)CCN1C(=O)C#CC1CC1 987641221 YFLFJICAWSELCM-VHDGCEQUSA-N 319.405 -0.164 30 20 DBED COCCn1ncc(C(=O)NC2CN(C(=O)[C@H](C)C#N)C2)c1C 991520937 IOOXXMKGZPTCBU-SNVBAGLBSA-N 319.365 -0.062 30 20 DBED C[C@]12CN(C(=O)C(N)=O)C[C@H]1CN(C(=O)c1cc(C#N)c[nH]1)C2 993330510 FKLGPZXZODKKLD-BMIGLBTASA-N 315.333 -0.708 30 20 DBED C[C@H](C#N)C(=O)N1CC(N2C[C@@H](NC(=O)C3CC3)CC2=O)C1 995467387 YBQMARHYQIECLR-KOLCDFICSA-N 304.350 -0.516 30 20 DBED N#Cc1ccc(C(=O)N2CCC[C@H](N[C@@H]3CCNC3=O)C2)[nH]1 998963687 ZBJONRSNAYDCHY-NWDGAFQWSA-N 301.350 -0.031 30 20 DBED C=CCN1CCC[C@H](NC(=O)[C@H]2CCN(C)S2(=O)=O)C1 1008841132 PRTIDQBPKJGRFG-NWDGAFQWSA-N 301.412 -0.213 30 20 DBED O=C(C#CC1CC1)N1CCN(C(=O)c2cnnc(O)c2)CC1 1011110238 QXSZFYPHPUJXSE-UHFFFAOYSA-N 300.318 -0.120 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C(=O)Cn2ccccc2=O)CC1 1011120916 UNJHDQJVNHVQRT-GFCCVEGCSA-N 302.334 -0.321 30 20 DBED C=CCCn1cc(C(=O)N[C@H]2CCN(C(=O)C(N)=O)[C@H]2C)nn1 1012022840 LZFUAOLVMRCXAG-UWVGGRQHSA-N 320.353 -0.941 30 20 DBED C#Cc1ccc(C(=O)N2CCC[C@H](NC(=O)C(N)=O)[C@H]2C)nc1 1015184603 OSAKDTOLXACUKL-PWSUYJOCSA-N 314.345 -0.343 30 20 DBED C=CCCN1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cnc(C(N)=O)n1 1017572140 VEGMFUDRNJWIQA-TXEJJXNPSA-N 318.381 -0.372 30 20 DBED C=CCN1CC[C@@H](N[C@H]2CCN(C(=O)Cc3cc[nH]n3)C2)C1=O 1018657801 REBCRZWBKYKZCS-UONOGXRCSA-N 317.393 -0.070 30 20 DBED C=CCn1cc(C(=O)N[C@H]2C[C@H](NCc3nnnn3C)C2)nn1 1020700611 XCPSEBRNVYXREA-MGCOHNPYSA-N 317.357 -0.962 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)C[C@H]2COC(=O)C2)C1 1023403882 LVWXXEHMVKZJRA-IJLUTSLNSA-N 324.377 -0.160 30 20 DBED N#CCN1CCC[C@@H](CNC(=O)[C@@H]2CCc3nnc(O)n3C2)C1 1023448668 VDAKAYVYOFVMCF-NWDGAFQWSA-N 318.381 -0.102 30 20 DBED C=CCn1cc(C(=O)NC2CN(CCn3cccn3)C2)nn1 1031068731 DUGJIEOWYQGMSD-UHFFFAOYSA-N 301.354 -0.225 30 20 DBED C#CCN1CCC(C(=O)NC2CN(Cc3cnn(C)n3)C2)CC1 1031434864 IDJCAGFZKFZHHO-UHFFFAOYSA-N 316.409 -0.539 30 20 DBED N#Cc1c[nH]c(C(=O)NCC2CN(CC(=O)N3CCC3)C2)c1 1031603653 UWMQBFJBSMGQSR-UHFFFAOYSA-N 301.350 -0.220 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCC1CN(CC(=O)N2CCC2)C1 1031740897 NNCZWHYKSOKMMX-HNNXBMFYSA-N 318.421 -0.636 30 20 DBED N#CCN1CCO[C@H](CNC(=O)[C@H]2CCc3nncn3CC2)C1 1035446514 LNJRVHFJVHDWSW-QWHCGFSZSA-N 318.381 -0.429 30 20 DBED COc1c(C(=O)NC[C@@H]2CN(CC#N)CCO2)c(C)nn1C 1035528193 YWMHOAKGGGPNQV-LLVKDONJSA-N 307.354 -0.309 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2CN(CC(=O)NC)CCO2)cn1 1035585847 LSWRFEBBIGZKQV-AWEZNQCLSA-N 316.361 -0.761 30 20 DBED C#CCCN1CCO[C@@H](CNC(=O)[C@@H]2CCN(C(C)=O)C2)C1 1035593184 MQXSEPQWSXWUBZ-CABCVRRESA-N 307.394 -0.305 30 20 DBED C=C(C)CN1CC2(CCN(C(=O)CN3CCNC(=O)C3)CC2)C1 1035765133 QMYXVYDBCKTJMZ-UHFFFAOYSA-N 320.437 -0.081 30 20 DBED O=C(C#CC1CC1)NC[C@]1(O)CCN(C(=O)c2cnsn2)C1 1039677179 FFXTUCQIVMSSCD-CQSZACIVSA-N 320.374 -0.355 30 20 DBED C#CCOCCC(=O)NC[C@@]1(O)CCN(C(=O)CC2CC2)C1 1039718516 BTLGANXLDHFLKN-INIZCTEOSA-N 308.378 -0.094 30 20 DBED C#CCOCCC(=O)NC[C@]1(O)CCN(C(=O)C2(C)CC2)C1 1039720984 GYVCBVHAVSJPPE-MRXNPFEDSA-N 308.378 -0.094 30 20 DBED CC(C)C#CC(=O)N1CC[C@@](O)(CNC(=O)c2ccn(C)n2)C1 1039759782 ARGNSHGBHBCBQZ-MRXNPFEDSA-N 318.377 -0.227 30 20 DBED C=CCN1[C@H]2CCC[C@H]1CN(C(=O)[C@@H]1CC(=O)NC(=O)N1)C2 1039934998 QYHQNWJRSPYPKV-SRVKXCTJSA-N 306.366 -0.164 30 20 DBED C[C@H]1[C@@H](Nc2nccnc2C#N)CCN1C(=O)Cn1ncnn1 1040187211 VNPKFXDSIWXSJM-UWVGGRQHSA-N 313.325 -0.564 30 20 DBED C#CCCCC(=O)N1CC[C@](O)(CNC(=O)[C@H]2CCNC2=O)C1 1040486741 WFAVIZGOBPMWCI-LRDDRELGSA-N 321.377 -0.994 30 20 DBED C=C[C@@](C)(CC)C(=O)NC[C@]1(O)CCN(C(=O)CC(N)=O)C1 1040812262 IMLYYTHBAQQPEB-LSDHHAIUSA-N 311.382 -0.456 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)C[C@@H]2CCCO2)C1 1041654584 GWMXTEOQOMHQHB-OLZOCXBDSA-N 324.377 -0.717 30 20 DBED C=CCCOCC(=O)N1CC(O)(CNC(=O)[C@H]2CCOC2)C1 1041888699 HHKHXPNCZFTYEK-LBPRGKRZSA-N 312.366 -0.695 30 20 DBED C[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1NC(=O)Cn1cncn1 1041946238 MZANQADVSCFABM-ZYHUDNBSSA-N 312.337 -0.419 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)[C@H]2C[C@H]2C(=O)OC)C1 1041985586 VPNRNAXQMLJYGQ-WDEREUQCSA-N 310.350 -0.549 30 20 DBED C#CCCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCCN2C)C1 1042097803 JYTQUNNLMPNOOH-AWEZNQCLSA-N 321.421 -0.036 30 20 DBED CN(C(=O)c1cc(O)nc2ncn(C)c12)C1CN(CC#N)C1 1042888105 GLACHSOYGAPHRM-UHFFFAOYSA-N 300.322 -0.046 30 20 DBED CCO[C@@H]1C[C@H]1C(=O)N1CC(O)(CNC(=O)C#CC(C)C)C1 1042936370 FMCMPPPLGKQPST-CHWSQXEVSA-N 308.378 -0.240 30 20 DBED Cc1ncc(C(=O)N2CC(O)(CNC(=O)C#CC(C)C)C2)n1C 1042943508 RSSGRRZCWBJOQO-UHFFFAOYSA-N 318.377 -0.309 30 20 DBED C#CCN[C@@H]1CCN(C(=O)CN2CCCS2(=O)=O)[C@@H](C)C1 1044622948 LKPXBZDCIALHSF-QWHCGFSZSA-N 313.423 -0.376 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)[C@H](F)CC)C1 1044805221 FCQNCZJJDZFPIY-LLVKDONJSA-N 300.330 -0.536 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)c2cc(C#N)c[nH]2)C1 1045541394 VVMLTYSKKLRULI-SECBINFHSA-N 301.306 -0.651 30 20 DBED Cc1ccc(C(=O)NCC2(O)CN(C(=O)[C@@H](C)C#N)C2)c(O)n1 1047164187 XGVQFOVJSQEVEY-VIFPVBQESA-N 318.333 -0.442 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCc3nn[nH]c32)C1 1047505713 UCWPHDSRSYZYDG-WXHSDQCUSA-N 303.366 -0.639 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(=O)n(CC)n2)C1 1047569778 LWBZITDZKMFNDS-KBPBESRZSA-N 318.377 -0.596 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)N2CCCCC2=O)C1 1047639131 MOSPPESFRJIPBE-RDBSUJKOSA-N 307.394 -0.476 30 20 DBED C#CCNC(=O)CC(=O)N(C)[C@H]1CN(C(=O)CCC=C)C[C@@H]1O 1048708974 OGRRZENEHSMPLY-STQMWFEESA-N 321.377 -0.878 30 20 DBED C=CCCOCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cnn[nH]2)C1 1049060942 FRNGYBWXSJXWNI-RYUDHWBXSA-N 323.353 -0.959 30 20 DBED C[C@H](CN1CCOCC1)C(=O)N1C[C@@H]2CN(CC#N)C[C@@H]2C1 1049215410 CFGVYHXCHLKYQN-KFWWJZLASA-N 306.410 -0.132 30 20 DBED C=CCCCC(=O)N(C)[C@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@@H]1O 1049360697 IETIBUYNWNCBOT-RYUDHWBXSA-N 323.393 -0.362 30 20 DBED COC[C@H](OC)C(=O)N(C)[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 1049494801 OQWXOYGVRFVTFV-IHRRRGAJSA-N 324.377 -0.909 30 20 DBED C#CCCN1CCOC[C@H]1CNC(=O)[C@H]1CCS(=O)(=O)C1 1051011578 KAFFYKCDJBYCGX-QWHCGFSZSA-N 314.407 -0.739 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)[C@H]1CC[C@@H](C(N)=O)C1)CCO2 1053430134 NQIAMPYFGBCXJN-KGLIPLIRSA-N 319.405 -0.176 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)[C@@]34CCCN(CC3)C4)CO2)C1 1053994796 MFGSFSQAOUISHO-HIFRSBDPSA-N 304.394 -0.045 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@](CO)(NC(=O)c2cncnc2)C1 1055899478 WQKVUWYFQIAXBM-XHDPSFHLSA-N 317.349 -0.280 30 20 DBED N#Cc1cccnc1N1C[C@H]2C(NC(=O)Cn3cnnn3)[C@@H]2C1 1056129438 SHYBTZVPIWJFEQ-GHMZBOCLSA-N 310.321 -0.809 30 20 DBED C=CCCC(=O)N1CCC[C@@](CO)(NC(=O)Cc2nc[nH]n2)C1 1056137783 IHVDPDJBIOTHDC-OAHLLOKOSA-N 321.381 -0.217 30 20 DBED C[C@H](C(=O)NC1[C@H]2CN(c3cncc(C#N)n3)C[C@H]12)n1cncn1 1056169291 UDJJFPPOAZDHCP-USWWRNFRSA-N 324.348 -0.248 30 20 DBED Cc1c(C(=O)N[C@H]2[C@@H]3CN(c4cncc(C#N)n4)C[C@@H]32)nnn1C 1056177007 ZIQCBZYMSTVXJH-YABSGUDNSA-N 324.348 -0.350 30 20 DBED Cn1cnc(C(=O)NC2[C@@H]3CN(c4nccnc4C#N)C[C@@H]23)c1 1056187153 QKDOYJQMXMWCPZ-NXEZZACHSA-N 309.333 -0.054 30 20 DBED CCn1nncc1C(=O)NC1[C@@H]2CN(c3cncc(C#N)n3)C[C@@H]12 1056203001 QNOGZSNEGGQTHI-GHMZBOCLSA-N 324.348 -0.176 30 20 DBED N#CCSCC(=O)N1CCC[C@H]2[C@H]1CCN2C(=O)C(N)=O 1056248774 RLDCFUUUAUOROC-VHSXEESVSA-N 310.379 -0.680 30 20 DBED Cn1nncc1C(=O)N1CCCN(c2cnc(C#N)cn2)CC1 1057137247 WPDPOLCMYIHISC-UHFFFAOYSA-N 312.337 -0.171 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)[C@@H](CC)OC 1057154415 YJWYCEXKQMIVGX-GFCCVEGCSA-N 302.371 -0.449 30 20 DBED N#Cc1cnc(NC2CCN(C(=O)[C@@H]3CNC(=O)N3)CC2)cn1 1057409056 MOPXQPHGYZAAKH-NSHDSACASA-N 315.337 -0.567 30 20 DBED C=CC(C)(C)C(=O)NCCN(CCO)C(=O)c1cnnn1C 1057474156 CKSIJLGYTAMWFI-UHFFFAOYSA-N 309.370 -0.422 30 20 DBED C#CCO[C@H](C)C(=O)N(CCO)CCNC(=O)Cc1ccco1 1057584894 RNKLMXFSLFSSLM-CYBMUJFWSA-N 322.361 -0.203 30 20 DBED C#CCOCCC(=O)NCCN(CCO)C(=O)Cc1ccco1 1058519089 SYHPAUBJAHXDQG-UHFFFAOYSA-N 322.361 -0.201 30 20 DBED C[C@@H]1OCC[C@H]1C(=O)N(CCO)CCNC(=O)C#CC1CC1 1058552645 NZOITJMITREWJX-GXTWGEPZSA-N 308.378 -0.238 30 20 DBED Cc1nc(CC(=O)N[C@H]2C[C@H](N=c3cc[nH]c(C#N)n3)C2)n[nH]1 1059208772 YSCNKQAQOHQKDY-MGCOHNPYSA-N 312.337 -0.502 30 20 DBED N#Cc1cncc(N[C@H]2C[C@H](NC(=O)[C@@H]3CC[C@@H]3C(N)=O)C2)n1 1059369942 HELBCGXGKXKYPP-FSZOTQKASA-N 314.349 -0.081 30 20 DBED N#Cc1nc(=N[C@H]2C[C@H](NC(=O)[C@@H]3CCC(=O)NC3)C2)cc[nH]1 1059457269 FCHMHPNSXLLIRT-GMTAPVOTSA-N 314.349 -0.645 30 20 DBED C=CCOCC(=O)N1CC2(CCN(C(=O)CC(=O)NC)CC2)C1 1060952011 MPHQMKZTHRDNCL-UHFFFAOYSA-N 323.393 -0.224 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H]1COCCN1C(=O)C#CC1CC1 1061585333 VIIMMFBZTFMNIL-ZFWWWQNUSA-N 318.373 -0.218 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)Cn1cccn1 1061845092 CIQYZWVWYSXMDP-NWDGAFQWSA-N 305.338 -0.614 30 20 DBED N#Cc1cccnc1N1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[C@H]1C(N)=O 1062580037 AFXPMVHUQSEUPE-RVMXOQNASA-N 311.345 -0.136 30 20 DBED C#CCNC(=O)CC(=O)NCC1(NC(=O)CCOCC)CCC1 1062829218 DPYXNQNDSRWWQA-UHFFFAOYSA-N 323.393 -0.292 30 20 DBED N#Cc1cnc(N2CC[C@]3(CCN(C(=O)C(N)=O)C3)C2)cn1 1064640878 WBXIHZFEADEGLA-AWEZNQCLSA-N 300.322 -0.738 30 20 DBED C=CCCC(=O)N1CCO[C@@H](CNC(=O)C[C@H]2CCNC2=O)C1 1064957786 QDPMZQNHVQIPRQ-OLZOCXBDSA-N 323.393 -0.178 30 20 DBED C[C@H](C#N)C(=O)N(C)CCCN(C)C(=O)CN1CCOCC1 1067226726 UQLSQDIHMZXXBD-CYBMUJFWSA-N 310.398 -0.215 30 20 DBED N#Cc1cnc(N2C[C@H](O)[C@H](CNC(=O)c3cccnc3)C2)cn1 1067642248 AEGXAPJCSVKVBP-OCCSQVGLSA-N 324.344 -0.030 30 20 DBED C=C(C)CCC(=O)N1CC2(C[C@@H](NC(=O)CNC(N)=O)CO2)C1 1068690812 TVBOBHVDLCMGHG-LLVKDONJSA-N 324.381 -0.503 30 20 DBED C=C(C)CN1C[C@H](n2ccnn2)[C@H](NC(=O)c2cnnn2C)C1 1069919336 JAHWRIWTDNJWJB-YPMHNXCESA-N 316.369 -0.362 30 20 DBED C=CCN[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2)C[C@H]1c1cn(C)cn1 1070475090 CXPKINBADYNYCO-OUCADQQQSA-N 317.393 -0.231 30 20 DBED CSCC(=O)N1CC[C@H](N2C(=O)O[C@H]3CN(CC#N)C[C@H]32)C1 1070901908 NTAHICUGFMKCMH-TUAOUCFPSA-N 324.406 -0.021 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)[C@H]2C[C@@H]2C(=O)OC)CC1 1070946196 XFTYGDYXFKYIHL-STQMWFEESA-N 323.393 -0.368 30 20 DBED C#CCCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2(NC(N)=O)CC2)C1 1071998111 CSSUVAQKBNBVKB-NEPJUHHUSA-N 320.393 -0.046 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H]2CCN(C(C)=O)CC[C@H]2C1 1074270874 MMWQBCLTGIUVTF-OKILXGFUSA-N 305.378 -0.157 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CCN(C(=O)CC(C)(C)O)CC1 1074567265 FFQMHASVQMVREZ-NSHDSACASA-N 311.382 -0.223 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(C(=O)Cn2cnnn2)[C@@H](C)C1 1074891790 LAUCUYFRLVYKFE-NWDGAFQWSA-N 322.369 -0.629 30 20 DBED C#CCN1C[C@@H]2CCN(C(=O)[C@@H]3CCN(C)S3(=O)=O)[C@@H]2C1 1076349418 LFSUTSJDMUCXOC-XQQFMLRXSA-N 311.407 -0.814 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)c2cc3c(O)ncnc3cn2)C1 1078090109 FGJSBEBTMBEAIZ-CHWSQXEVSA-N 315.333 -0.309 30 20 DBED C=CCOCC(=O)N(CC)C1CN(C(=O)[C@H]2COC(=O)N2)C1 1079490597 WRVPVPJEOWUIIT-LLVKDONJSA-N 311.338 -0.643 30 20 DBED C#CCCCC(=O)N(CC)C1CN(C(=O)[C@H](C)NC(N)=O)C1 1079681134 XFRLPDFBXPVGTN-NSHDSACASA-N 308.382 -0.094 30 20 DBED CCN(C(=O)C[C@@H](C)NC(N)=O)C1CN(C(=O)[C@@H](C)C#N)C1 1079780423 HYMVCBPEUFJODO-VHSXEESVSA-N 309.370 -0.348 30 20 DBED CCN(C(=O)COCCN(C)C)C1CN(C(=O)[C@H](C)C#N)C1 1080138349 HCPPVYIFIOMLKZ-GFCCVEGCSA-N 310.398 -0.216 30 20 DBED C#CCCCC(=O)NC1(CO)CCN(C(=O)CNC(C)=O)CC1 1080832550 IIXZSBONRJJABE-UHFFFAOYSA-N 323.393 -0.604 30 20 DBED C=CCCOCC(=O)N1C[C@H](CNC(=O)C(F)F)[C@@H](O)C1 1081157772 JSZYZCMEQIGXPH-UWVGGRQHSA-N 306.309 -0.220 30 20 DBED CC(F)(F)C(=O)NC[C@H]1CN(C(=O)CSCC#N)C[C@H]1O 1081183951 MTBLZCDMNCKEGR-DTWKUNHWSA-N 321.349 -0.166 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)c2cncnc2O)C[C@@H]1O 1081337496 FWQMGWJFPBYDSY-JQWIXIFHSA-N 320.349 -0.303 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)CCSC)C[C@H]1O 1081345069 YDKWLKRHYAAPHW-NWDGAFQWSA-N 316.423 -0.122 30 20 DBED Cc1nonc1C(=O)N1C[C@H](CNC(=O)C#CC2CC2)[C@@H](O)C1 1081474647 SIGOMJNEYXTTOG-RYUDHWBXSA-N 318.333 -0.659 30 20 DBED CNC(=O)[C@@H](C)N1C[C@H]2[C@@H](C1)OCCN2C(=O)C#CC1CC1 1083077661 SQGJFLAMUWRPPG-KWCYVHTRSA-N 305.378 -0.554 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2ccc(-n3ccnc3)nn2)C1 1083858347 YRHJJWVGDGWOKF-OLZOCXBDSA-N 312.333 -0.930 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](NC(=O)C2CCN(C(N)=O)CC2)C1 1084040871 ASEJEPYAHANRIX-KGLIPLIRSA-N 324.425 -0.095 30 20 DBED C#CCN[C@@H]1CCCC[C@H]1NC(=O)C1CC2(C1)NC(=O)NC2=O 1085360376 BDWBNJMFLQHRJY-YZUGKSJVSA-N 318.377 -0.375 30 20 DBED N#CCN[C@H]1C[C@@H](CNC(=O)[C@@H]2CCc3nnnn3CC2)C1 1086204064 BMRHJEMSYSYBLP-UTUOFQBUSA-N 303.370 -0.366 30 20 DBED C=C(C)CN[C@H]1C[C@H](CNC(=O)[C@H]2CCS(=O)(=O)N2)C1 1086554372 ILNSWTRUQJLRAK-IJLUTSLNSA-N 301.412 -0.261 30 20 DBED N#Cc1nc(=NCC2(CCNC(=O)CC(N)=O)CC2)cc[nH]1 1089922294 SSOCYIWHNVICSN-UHFFFAOYSA-N 302.338 -0.656 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2cnc(N(C)C)cn2)[C@H](O)C1 1090265479 MSOLUOZOQDCSBE-DGCLKSJQSA-N 303.366 -0.659 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1O 1090408326 PYIHWYRSDFGIAA-HFAKWTLXSA-N 317.349 -0.659 30 20 DBED N#CCN1CC[C@@H](NC(=O)Cc2ccc(C(N)=O)cc2)[C@@H](O)C1 1090840492 APHULRLPPLHWAA-KGLIPLIRSA-N 316.361 -0.597 30 20 DBED CNC(=O)NCC(=O)NCC1CC(N=c2cc[nH]c(C#N)n2)C1 1092269699 UNBCJLRTFZNLPW-UHFFFAOYSA-N 317.353 -0.994 30 20 DBED N#Cc1cnccc1N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CNC(N)=O 1092937965 OTHKFOLRZZBWDQ-WZRBSPASSA-N 314.349 -0.153 30 20 DBED CC(C)(C)[C@H](NC(N)=O)C(=O)NCCNc1nccnc1C#N 1093745414 YYWAGTHRMNWIDE-SNVBAGLBSA-N 319.369 -0.041 30 20 DBED C#CCN1CC(n2cc(CNC(=O)C3CCOCC3)nn2)C1 1094269231 NXVVGPHHDBTSMP-UHFFFAOYSA-N 303.366 -0.189 30 20 DBED C=C(C)CN1CC(N2C[C@H](NC(=O)[C@@H]3CCNC3=O)CC2=O)C1 1094768130 POQRYAZMCFTDQA-DGCLKSJQSA-N 320.393 -0.900 30 20 DBED C=CCCN1CC(N2C[C@@H](NC(=O)c3cnon3)CC2=O)C1 1094799121 FOQJGTOYMDXEGK-JTQLQIEISA-N 305.338 -0.339 30 20 DBED CCS(=O)(=O)CC(=O)N1CC[C@@H](Nc2cncc(C#N)n2)C1 1095043471 XCDOCVJSRGGESI-SNVBAGLBSA-N 323.378 -0.204 30 20 DBED CC(=O)NCC(=O)N1CCCN(c2cnc(C#N)cn2)CC1 1095161635 IGZBYOQQLBTZFE-UHFFFAOYSA-N 302.338 -0.477 30 20 DBED CN(CCCNC(=O)CS(C)(=O)=O)c1nccnc1C#N 1095506230 WOFGQKJEHRFURR-UHFFFAOYSA-N 311.367 -0.665 30 20 DBED CN(C)C(=O)CC(=O)N[C@H]1CCCN(c2cncc(C#N)n2)C1 1096238511 YZSWBDOGMOXIOB-NSHDSACASA-N 316.365 -0.088 30 20 DBED N#Cc1ccc(N2CC[C@@H](NC(=O)CCn3cnnn3)C2)nn1 1096416204 VYWWXYMDFCKFLP-LLVKDONJSA-N 313.325 -0.880 30 20 DBED C[C@H](NC(N)=O)C(=O)N[C@H]1C[C@@H](Nc2cncc(C#N)n2)C1 1097175335 JIHPHTOBJCUSOC-XHNCKOQMSA-N 303.326 -0.536 30 20 DBED CC[C@@H](NC(C)=O)C(=O)N[C@H]1C[C@@H](N=c2cc[nH]c(C#N)n2)C1 1097255819 SKFPXNNMJMFNPA-GRYCIOLGSA-N 316.365 -0.256 30 20 DBED Cc1cc(=N[C@H](C)CNC(=O)Cn2ncnn2)c(C#N)c[nH]1 1098084452 LDBZBVIPJOQVBT-SNVBAGLBSA-N 300.326 -0.713 30 20 DBED Cc1ccc(C#N)c(N[C@@H](C)CNC(=O)[C@H]2CNC(=O)N2)n1 1098250092 HCQZZOWZCVCPMQ-GXSJLCMTSA-N 302.338 -0.140 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H]1CN(C(C)=O)CCO1 1098310026 VBLIFCRZDSLULV-APIJFGDWSA-N 305.378 -0.412 30 20 DBED CN(c1nccnc1C#N)[C@@H]1CCCN(C(=O)CNC(N)=O)C1 1098679971 BIXIXJRLNGRGIP-SNVBAGLBSA-N 317.353 -0.556 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)CCC2CC2)[C@@H](O)C1 1099751405 AGYIXTSHCWYKSG-KBPBESRZSA-N 307.394 -0.523 30 20 DBED Cc1cocc1C(=O)N[C@H]1CCN(CC(=O)NCC#N)C[C@@H]1O 1099949947 WPQNMZSNLRPECA-STQMWFEESA-N 320.349 -0.607 30 20 DBED C#CCC1(C(=O)N[C@@H]2CCN(CC(N)=O)C[C@H]2O)CCCCC1 1100136438 MPTOJYVUBQUSJP-ZIAGYGMSSA-N 321.421 -0.003 30 20 DBED C=CCCOCC(=O)N[C@@H]1CCN(Cc2cnon2)C[C@H]1O 1100138808 LBOCTYTVPYOEEX-CHWSQXEVSA-N 310.354 -0.286 30 20 DBED Cc1nc(N(C)CCNC(=O)[C@H]2CN(C)C(=O)N2)ccc1C#N 1100255419 PALOIYKHQXWBCL-GFCCVEGCSA-N 316.365 -0.162 30 20 DBED CN(CCNC(=O)[C@H]1CNC(=O)N1)c1cccc(F)c1C#N 1100308386 APIUCKDEZWAFMV-LLVKDONJSA-N 305.313 -0.069 30 20 DBED CN(CCNC(=O)c1cc(=O)n(C)cn1)c1ccc(C#N)nn1 1100389948 OUKUPJBLZMIYJR-UHFFFAOYSA-N 313.321 -0.692 30 20 DBED CN(CCNC(=O)c1ccc(=O)n(C)c1)c1ccc(C#N)nn1 1100402153 VIDOZWZBIOJXHC-UHFFFAOYSA-N 312.333 -0.087 30 20 DBED C=C(C)CCNC1CC(CNC(=O)C[C@H](NC(C)=O)C(N)=O)C1 1100735025 KAGZOSUWYLJWHS-RUXDESIVSA-N 324.425 -0.183 30 20 DBED N#Cc1nccc(N(CCNC(=O)Cn2cnnn2)C2CC2)n1 1101281347 PXXOPFBFHZSQEG-UHFFFAOYSA-N 313.325 -0.880 30 20 DBED COC[C@@H](C)C(=O)NC[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1101812925 QDXZACCWSRCBJL-JHJVBQTASA-N 310.398 -0.407 30 20 DBED CCc1nc(C#N)cc(NCCN(C)C(=O)[C@H]2CNC(=O)N2)n1 1101921236 HGDZDUTXQTVPHH-SNVBAGLBSA-N 317.353 -0.538 30 20 DBED C[C@@](CN=c1cc[nH]c(C#N)n1)(NC(=O)CNC(N)=O)C1CC1 1103481565 TWBMMUMHFHYNOV-AWEZNQCLSA-N 317.353 -0.865 30 20 DBED C[C@@H](CNC(=O)[C@H]1COCCN1C)CNc1ccc(C#N)nn1 1103922608 GTUOWNIGMLSQGC-DGCLKSJQSA-N 318.381 -0.157 30 20 DBED C=CCNC(=O)[C@H](C)NCC[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1C 1104022518 SJZDDDJMOULXMV-FRRDWIJNSA-N 324.425 -0.373 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CCNCC(N)=O)C1 1104306167 OMCGNDGSQUQEPZ-KFWWJZLASA-N 320.437 -0.357 30 20 DBED CNC(=O)CC(=O)NC[C@H](N=c1cc[nH]c(C#N)n1)C(C)C 1105176750 AEDKKRSAOBHZKW-JTQLQIEISA-N 304.354 -0.541 30 20 DBED CN(CCN(C)c1nccnc1C#N)C(=O)C(=O)NCC1CC1 1105448383 UGKTXWVFEZUJKP-UHFFFAOYSA-N 316.365 -0.231 30 20 DBED C#Cc1ccc(C(=O)NC[C@H](O)CN=c2cc[nH]c(C#N)n2)nc1 1105908095 HTDVHKSDHHMVSB-GFCCVEGCSA-N 322.328 -0.651 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)[C@@H]2CCCOC2)C[C@H]1C 1105923467 AAMOESFFFNGBMW-RBSFLKMASA-N 321.421 -0.154 30 20 DBED C[C@H](CC(N)=O)C(=O)NC[C@H](O)CNc1ncc(C#N)cc1F 1106060184 PLSULHRFGLWIIK-PSASIEDQSA-N 323.328 -0.507 30 20 DBED CC[C@@H](NC(C)=O)C(=O)N(CC)CCN=c1cc[nH]c(C#N)n1 1106954790 OCWDGEBRRQAODW-GFCCVEGCSA-N 318.381 -0.055 30 20 DBED CS(=O)(=O)CC(=O)NC/C=C/CN=c1cc[nH]cc1C#N 1107105306 MFVXZRBGIDIZPZ-NSCUHMNNSA-N 308.363 -0.496 30 20 DBED CC(=O)N1CC(C(=O)NC/C=C\CNc2ccc(C#N)nn2)C1 1107168366 GBNUCWJHFOVSTK-IHWYPQMZSA-N 314.349 -0.089 30 20 DBED CC#CCN1CC(n2cc(CNC(=O)CCN(C)C)nn2)C1 1107202448 GLEGGKXRUJQNQI-UHFFFAOYSA-N 304.398 -0.274 30 20 DBED CNC(=O)NCC(=O)NC/C=C/CNc1ccc(C#N)nn1 1107572055 QSDMFVOYNIPPFE-NSCUHMNNSA-N 303.326 -0.638 30 20 DBED C#CCCN1CCO[C@@](C)(CNC(=O)[C@@H]2CN(C)C(=O)N2)C1 1108120150 WPDWKGKLFDKRCY-WFASDCNBSA-N 308.382 -0.760 30 20 DBED C[C@@]1(CNC(=O)[C@]2(C)CCC(=O)NC2)CN(CC#N)CCO1 1108152654 FACQXMMVTHDSMB-HUUCEWRRSA-N 308.382 -0.367 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)[C@@H](NC(N)=O)C(C)(C)C)C1 1108341021 PUHYOKRPBLZVHQ-WBMJQRKESA-N 324.425 -0.090 30 20 DBED C=CCOCC(=O)N1CCN(CCF)[C@H]2CS(=O)(=O)C[C@H]21 1108465215 NYACRAYPDYTAGM-NWDGAFQWSA-N 320.386 -0.532 30 20 DBED COC[C@H](C)N1CC(N2C[C@H](NC(=O)C#CC3CC3)CC2=O)C1 1108544869 LBKMWPGRMJRLIS-GXTWGEPZSA-N 319.405 -0.164 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)[C@@]1(C)CCNC(=O)C1 1108766597 LOBADQUCIDYMRG-BONVTDFDSA-N 316.365 -0.397 30 20 DBED CC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN(C)C(=O)COC 1109369443 WJNIKNWRMIKBNM-RDBSUJKOSA-N 307.394 -0.164 30 20 DBED N#Cc1cncc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)CCn2cncn2)n1 1109680924 DMQALDUYFQMXAK-IFUGULHKSA-N 324.348 -0.277 30 20 DBED CO[C@H](C)C(=O)NC[C@]1(O)CCN(c2nc(C)cc(C#N)n2)C1 1111025720 ILMFCCKUMIVJDM-IAQYHMDHSA-N 319.365 -0.251 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H]1COCCN1c1cnc(F)cn1 1111699929 FMPVUXMQTNOLFG-NEPJUHHUSA-N 322.340 -0.025 30 20 DBED N#Cc1ccc(NC2(CNC(=O)[C@@H]3CNC(=O)N3)CCC2)nn1 1111890647 JMHVFFXRXLMJQP-JTQLQIEISA-N 315.337 -0.520 30 20 DBED C[C@@H]1C[C@@H](NC(=O)CC(N)=O)CCN1c1nccnc1C#N 1112459995 QTRRHWIZLMNYSF-ZJUUUORDSA-N 302.338 -0.303 30 20 DBED C=CCOCC(=O)N1CCN(CC(=O)Nc2cnccn2)CC1 1112708666 ROORHXTWNUBXQO-UHFFFAOYSA-N 319.365 -0.238 30 20 DBED C[C@H](NC(=O)CS(C)(=O)=O)[C@@H](C)N=c1cc[nH]cc1C#N 1112927231 YCDQULLDWKJMJE-ZJUUUORDSA-N 310.379 -0.275 30 20 DBED CNC(=O)NCC(=O)N[C@@H](C)[C@H](C)Nc1cnc(C#N)cn1 1113350435 UDWUUFGGAJHTJR-IUCAKERBSA-N 305.342 -0.418 30 20 DBED C[C@@H](CNC(=O)C[C@@H]1CCNC1=O)N(C)c1ccnc(C#N)n1 1113755577 GTIFDXYAYBZHKO-QWRGUYRKSA-N 316.365 -0.185 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1C[C@H]2C(NC(=O)COC)[C@@H]2C1 1113759086 YLFPDZRAMQQQHY-HBNTYKKESA-N 324.381 -0.921 30 20 DBED C[C@H](CC(N)=O)C(=O)NC[C@@H](C)N(C)c1cnc(C#N)cn1 1113799303 BRGKLHTUECVHIH-NXEZZACHSA-N 304.354 -0.199 30 20 DBED N#CCNC(=O)CN1C[C@@H]2C(NC(=O)Cc3cccnc3)[C@H]2C1 1114140089 ZOLINEBBBNZQTK-STQMWFEESA-N 313.361 -0.690 30 20 DBED C=C(C)CN1C[C@@H]2C(NC(=O)CN(C)S(C)(=O)=O)[C@H]2C1 1114363803 KQDXMPXZFPZUTE-QWRGUYRKSA-N 301.412 -0.500 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)CCc3cnc[nH]3)[C@H]2C1 1114385346 WQCLHBMMDJDZIQ-STQMWFEESA-N 315.377 -0.862 30 20 DBED C=CCOCCN1C[C@@H]2C(NC(=O)CCS(C)(=O)=O)[C@H]2C1 1114478499 WZTQZYSLPVAMOP-RYUDHWBXSA-N 316.423 -0.330 30 20 DBED C#CCN1C[C@H]2C(NC(=O)CCCn3c(O)nnc3O)[C@@H]2C1 1114496944 WHKATDCKAPEPFB-NXEZZACHSA-N 305.338 -0.851 30 20 DBED N#Cc1nccnc1NC[C@H]1C[C@H](NC(=O)CCNC(N)=O)C1 1114769762 VTJLNOGSXFZHDO-MGCOHNPYSA-N 317.353 -0.287 30 20 DBED C[C@H](CCCNc1ccc(C#N)nn1)NC(=O)[C@@H]1CNC(=O)N1 1115062500 UPYJBGHEDMJKEB-KOLCDFICSA-N 317.353 -0.274 30 20 DBED Cc1cc(C#N)nc(N(C)CCOCCNC(=O)CC(N)=O)n1 1115199860 AGALLKMAXMNJLG-UHFFFAOYSA-N 320.353 -0.899 30 20 DBED C=CCCCN1C[C@H]2C(NC(=O)CC[C@@H]3NC(=O)NC3=O)[C@@H]2C1 1115217547 XCNVNZLOAICGKP-UTUOFQBUSA-N 320.393 -0.013 30 20 DBED C=CCCN1C[C@H]2[C@H](NC(=O)CNC(=O)Cn3cncn3)[C@H]2C1 1115287821 FUCBCTYISFSLPK-JYAVWHMHSA-N 318.381 -0.983 30 20 DBED CNC(=O)CCCC(=O)N(C)C[C@@H](C)N=c1cc[nH]c(C#N)n1 1115687800 XYCWIFPSYIEJDJ-LLVKDONJSA-N 318.381 -0.055 30 20 DBED CCOC(=O)CC[C@@]1(C)NC(=O)N(CC(=O)NCC#N)C1=O 1117278006 PMYXQLHOGQUKCQ-CYBMUJFWSA-N 310.310 -0.720 30 20 DBED C=CCNC(=O)CNC(=O)N1CC[C@@H](CS(C)(=O)=O)C1 1117698489 HPYGZQFXGLUCDZ-SNVBAGLBSA-N 303.384 -0.635 30 20 DBED CS(=O)(=O)CCCNC(=O)C(=O)N[C@@H]1CC[C@H](C#N)C1 1118110432 DBTXPSSENBUWLH-VHSXEESVSA-N 301.368 -0.654 30 20 DBED CCNC(=O)CCC(=O)NC[C@H](CO)Nc1cnc(C#N)cn1 1121205258 MTXAUGMSQHDIMI-LLVKDONJSA-N 320.353 -0.846 30 20 DBED CN1CCCC[C@H]1C(=O)NC[C@H](CO)Nc1cnc(C#N)cn1 1122342598 PUYXIAYCOWHNAP-OLZOCXBDSA-N 318.381 -0.278 30 20 DBED N#Cc1c(Cl)nsc1N[C@H](CO)CNC(=O)C(N)=O 1122452111 PUHCCPJNQBITOC-BYPYZUCNSA-N 303.731 -0.958 30 20 DBED C[C@@H]1[C@@H](Nc2cnc(C#N)cn2)CCN1C(=O)CCNC(N)=O 1123013309 UQPMBIZJMBEGOJ-KOLCDFICSA-N 317.353 -0.192 30 20 DBED CC(C)OCCC(=O)N(C)C[C@H](O)CN=c1cc[nH]c(C#N)n1 1124045204 FTBSYMJNXXMDRK-GFCCVEGCSA-N 321.381 -0.184 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)c1cncnc1C 1124119477 LVCGNJDIRGFPMO-UHFFFAOYSA-N 318.381 -0.133 30 20 DBED CN(C)CCC(=O)N(C)C[C@H](O)CN(C)c1ccnc(C#N)n1 1125253874 ISTHZQKNEWIIQX-GFCCVEGCSA-N 320.397 -0.445 30 20 DBED COC[C@@H](C)OC[C@@H](O)CNCCNC(=O)c1ccc(C#N)[nH]1 1125776236 KCBIBHPFIGADKP-YPMHNXCESA-N 324.381 -0.382 30 20 DBED CNC(=O)CC(=O)NCCN(CCOC)c1cncc(C#N)n1 1126308263 MALLGAKSOWKRJY-UHFFFAOYSA-N 320.353 -0.947 30 20 DBED Cc1nc(NCCOCCN(C)C(=O)C(N)=O)ccc1C#N 1127457420 BVJGAPFPDVIOBS-UHFFFAOYSA-N 305.338 -0.366 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NCCNC[C@H](O)Cn1cccn1 1127612987 JLVBTUGJMYUTBE-ZNMIVQPWSA-N 322.409 -0.069 30 20 DBED N#CCNC(=O)CNCCNC(=O)[C@@H]1CCCN1C1CCCC1 1129429932 NBMANZSYBKSDQH-AWEZNQCLSA-N 321.425 -0.261 30 20 DBED C=CCOCC(=O)N1CCC(=O)NCCN(CCOC)CC1 1131339579 IYFMYHGULJZNLF-UHFFFAOYSA-N 313.398 -0.514 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)Cc1ccc(O)nc1 1131449761 HFIKEPPKLZICLE-LLVKDONJSA-N 306.366 -0.274 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)[C@H](F)CC 1132447182 VXRPOBWYYNASPV-NXEZZACHSA-N 302.350 -0.159 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)CNC(=O)CCC 1133839420 GKVPLADJRWFERK-STQMWFEESA-N 324.425 -0.475 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)[C@@H]1CCO[C@H]1C=C 1134062286 VTDRCONGLMLJBO-NEPJUHHUSA-N 324.381 -0.705 30 20 DBED C[C@@H](C[C@H](C)NC(=O)Cc1ccnn1C)NCC(=O)NCC#N 1134223402 FVTHOKGCTYEFGD-RYUDHWBXSA-N 320.397 -0.525 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)C(=O)N1CCC(C)CC1 1134875565 VXKGEWYBFLNOEX-CYBMUJFWSA-N 322.409 -0.911 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)[C@@H]1C[C@H]1C1CC1 1135084478 OYQJFDOZZCPNAA-NWDGAFQWSA-N 308.382 -0.250 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCC2(CN(C(=O)CC(N)=O)C2)C1 1147273901 CWTGIFFMMFHRQE-LLVKDONJSA-N 308.382 -0.913 30 20 DBED C=CCNC(=O)CN1CCCO[C@H](CNC(=O)[C@@H](C)C#N)C1 1149398836 PECXKLZGQFCEGG-QWHCGFSZSA-N 308.382 -0.345 30 20 DBED COCC#CCN1CCCO[C@@H](CNC(=O)Cn2nccn2)C1 1149797641 ZDSJXJZBJVULAU-AWEZNQCLSA-N 321.381 -0.865 30 20 DBED N#CCN1CCCO[C@H](CNC(=O)C[C@@H]2CCC(=O)NC2)C1 1149841969 NFANFNLSHCMJHD-QWHCGFSZSA-N 308.382 -0.367 30 20 DBED COCC#CCNCCNC(=O)c1nc2nc(C)cc(C)n2n1 1149858265 BMBYXSHRSSXVSX-UHFFFAOYSA-N 316.365 -0.290 30 20 DBED C=CCNC(=O)CN(CC)[C@H](C)CNC(=O)CS(C)(=O)=O 1152160052 PAPMFPOPHVBHJF-LLVKDONJSA-N 319.427 -0.840 30 20 DBED C=CCO[C@H](C)C(=O)NCCNCC(=O)NC[C@@H]1CCCO1 1153134380 CHBDKWZOPKQZHE-OLZOCXBDSA-N 313.398 -0.422 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)NCCCNC(=O)COC 1154002708 QXYDPCILJFZLKU-JTQLQIEISA-N 300.359 -0.871 30 20 DBED CCN(CC#CCOC)[C@H](C)CNC(=O)c1nnc(O)nc1O 1154179205 XZKNWLNDRFGCTK-SNVBAGLBSA-N 323.353 -0.627 30 20 DBED CN(CC#N)C[C@H]1CCCCN1C(=O)Cn1c(O)nnc1O 1158806814 QSRXGQCELBTQPP-SNVBAGLBSA-N 308.342 -0.474 30 20 DBED CNC(=O)NCCC(=O)NCCC1(CNCC#CCOC)CC1 1164421556 LEQLKMYORSTDTR-UHFFFAOYSA-N 324.425 -0.169 30 20 DBED COCC#CCNCCCNC(=O)[C@@H]1CN(C(C)C)CCO1 1164538407 GOXHJQWMFLKLAW-HNNXBMFYSA-N 311.426 -0.159 30 20 DBED N#CCNC(=O)CNCCCNC(=O)c1ccc2cccnn12 1167778988 RBHPGGSCFRGRJH-UHFFFAOYSA-N 314.349 -0.316 30 20 DBED C=CCn1cc(C(=O)NCCCN[C@@H]2CCCNC2=O)nn1 1167838572 HIGLJDLXXAMPMH-LLVKDONJSA-N 306.370 -0.548 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)[C@@H]1CCCC(=O)N1C 1174942942 JDBCMVXIKVQCBY-OLZOCXBDSA-N 324.425 -0.216 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)CNC(=O)C3CCC3)C[C@H]21 1177155857 BCKFLTYBGCTXOC-HUUCEWRRSA-N 319.405 -0.162 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 1183288717 LQLZXCPVFHGRFR-CYBMUJFWSA-N 306.410 -0.589 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2coc(OC)n2)C1 1184639219 YULNRCKSCQUAMZ-WDEREUQCSA-N 320.349 -0.375 30 20 DBED CC#CCNC[C@H]1CCN(C(=O)Cn2c(O)nnc2O)C[C@@H]1C 1185572958 LGRMUSULPVJUJT-NWDGAFQWSA-N 321.381 -0.213 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)COC2CCN(C)CC2)C1 1186615388 CRJGMQBBJMPGKD-OAHLLOKOSA-N 323.437 -0.063 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3ncoc3C)[C@@H]2C1 1187086394 IMBWAIOQJNVFOF-QWHCGFSZSA-N 316.361 -0.121 30 20 DBED CCc1cc(C(=O)N2CC[C@H](N(C)CC(=O)NCC#N)C2)n[nH]1 1189002535 HWOQYJASIQRHDF-LBPRGKRZSA-N 318.381 -0.242 30 20 DBED Cc1cc(C(=O)N2CC[C@@H](N(C)CC(=O)NCC#N)C2)ncn1 1189673940 NSWDYYFJFJDNGH-GFCCVEGCSA-N 316.365 -0.429 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)CCc2cnc[nH]2)C1 1190548748 YYMGRYUHFSSTRE-AWEZNQCLSA-N 317.393 -0.376 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)C2CC(OC)C2)C1 1190818059 NXSIAMPTUWOSPZ-MOKVOYLWSA-N 307.394 -0.307 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCCO2)C1 1191294332 LTUVOEISCZBLSG-YNEHKIRRSA-N 311.382 -0.981 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(Cc2ncc(C)cn2)C[C@H]1O 1192529162 BPMIDPWAAAQMDU-XJKCOSOUSA-N 320.393 -0.227 30 20 DBED C=CCCCN1C[C@@H](O)[C@H](NC(=O)Cn2nnnc2C(C)C)C1 1196765071 PBRSSTDXJBYZRW-CHWSQXEVSA-N 322.413 -0.076 30 20 DBED C=CCCCN1C[C@@H](O)[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1 1196899476 YWDXXDHQNJKRRN-VXGBXAGGSA-N 309.366 -0.833 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@H](CC(C)C)NC(C)=O)C1 1197984535 NWRRUCKKBVSRER-RRFJBIMHSA-N 309.410 -0.278 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)CO[C@@H](C)c2nccn2C)C1 1198232820 CGXNYOOHSZJCOP-YNEHKIRRSA-N 308.382 -0.155 30 20 DBED C[C@H](C#N)C(=O)N1CCCO[C@@H](CNCC(=O)NCC2CC2)C1 1200115866 PACKZMGMROTJEY-OCCSQVGLSA-N 322.409 -0.121 30 20 DBED C=C(C)CCNC[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)CCCO1 1201269561 RLZHTUFGGBFBFR-CHWSQXEVSA-N 310.398 -0.159 30 20 DBED C=CCNC[C@H]1CN(C(=O)Cn2c(O)nnc2O)CCCO1 1201945265 TZJKSRVEFXUINL-JTQLQIEISA-N 311.342 -0.918 30 20 DBED C#CCNC(=O)CC(=O)N1CCC(CN[C@@H](C)COC)CC1 1205057381 ZYUIQTWCRKNNKO-ZDUSSCGKSA-N 309.410 -0.011 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)c2cnn(C)c2N)[C@H](C)C1 1206892852 LOYCNBZYKNYXJX-ZYHUDNBSSA-N 320.397 -0.645 30 20 DBED C#CCCCC(=O)N1CCC[C@@H](N[C@@H](C)C(=O)NC(N)=O)C1 1207945309 ZNRWHSKFPCXPKI-NWDGAFQWSA-N 308.382 -0.046 30 20 DBED CC#CCN[C@H]1CCCN(C(=O)Cn2nc(C)n(C)c2=O)C1 1210898677 AUZMTDBOMGDBAI-ZDUSSCGKSA-N 305.382 -0.506 30 20 DBED COc1ccc(CN2C[C@@H](NC(=O)[C@@H](C)C#N)[C@H](OC)C2)nn1 1212039005 CUHBBWCQQCGOHL-CYZMBNFOSA-N 319.365 -0.040 30 20 DBED CO[C@@H]1CN(Cc2nnnn2C2CC2)C[C@H]1NC(=O)[C@@H](C)C#N 1212039997 ZOUMJUOACKKJQI-MVWJERBFSA-N 319.369 -0.517 30 20 DBED COC[C@@H](O)CN1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@H](OC)C1 1212127217 HEXQUQWZGKMHAN-IACUBPJLSA-N 322.365 -0.677 30 20 DBED C#CCOCCC(=O)N1C[C@@H](NCCS(C)(=O)=O)[C@H](C)C1 1214608847 MZHORMVHEYIJCS-CHWSQXEVSA-N 316.423 -0.493 30 20 DBED CCO[C@H](C(=O)N1C[C@@H](NCC(=O)NCC#N)[C@H](C)C1)C1CC1 1214646530 UNVIZTNMMGEWPK-KYOSRNDESA-N 322.409 -0.122 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)c2ccns2)C[C@H]1C 1214747519 RSNMVVLJFNOBOY-GHMZBOCLSA-N 306.391 -0.057 30 20 DBED C=CCN(CC=C)C(=O)CN1CC[C@@H]2CN(C(=O)C(N)=O)[C@@H]2C1 1221781092 INDKLOAQYMNFPS-CHWSQXEVSA-N 320.393 -0.795 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC(NC(=O)[C@H](C)NC(C)=O)CC1 1225964276 OFCXBPJIZOGMPW-RYUDHWBXSA-N 322.409 -0.771 30 20 DBED C#CCO[C@@H](C)C(=O)NC1CCN(Cc2cn(C)nn2)CC1 1227342072 HMYGAXHFQLKPOC-LBPRGKRZSA-N 305.382 -0.066 30 20 DBED CN(C[C@H]1CCN1CC#N)C(=O)[C@@H](Cn1cccn1)N(C)C 1235302645 HWPGRHIDFMAZOL-ZIAGYGMSSA-N 304.398 -0.130 30 20 DBED N#C[C@]1(NC(=O)C2CCN(S(N)(=O)=O)CC2)CCSC1 1251424362 PBZVFLLVDDLQIT-LLVKDONJSA-N 318.424 -0.583 30 20 DBED C=CCS(=O)(=O)CCNC(=O)NC[C@H](CO)[C@@H]1CCOC1 1256428903 VORWEJDFHUEHPU-VXGBXAGGSA-N 320.411 -0.469 30 20 DBED C#CCSCCNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C 1261381069 XMOBLLSTUGWYTA-WDEREUQCSA-N 313.423 -0.302 30 20 DBED C#CCNC(=O)C1CCN(C(=O)[C@@H](C)N2C(=O)CCC2=O)CC1 1321289508 ZFNKDZYBEOQGMS-LLVKDONJSA-N 319.361 -0.488 30 20 DBED Cn1c(CC#N)nnc1Sc1c(C#N)c(=O)n(C)c(=O)n1C 1321548583 QHOYKAOCTJFKTN-UHFFFAOYSA-N 317.334 -0.699 30 20 DBED C#CCn1ccc(CN(CC)C(=O)C(=O)N[C@H]2CCOC2)n1 1322764189 JEWKIIWIQGOURZ-ZDUSSCGKSA-N 304.350 -0.230 30 20 DBED N#Cc1ccc2c(c1)N(C(=O)C(=O)NN1CC(=O)NC1=O)CC2 1322980732 IOPSPEMKGLYRTK-UHFFFAOYSA-N 313.273 -0.970 30 20 DBED C=C(C)COCCNC(=O)C(=O)N1CC[C@H](N2CCCC2=O)C1 1324307406 AUGLJMYJOFHVMY-ZDUSSCGKSA-N 323.393 -0.081 30 20 DBED C#CCNS(=O)(=O)N1CCN([C@H](C)c2nnc(C)o2)CC1 1324515448 CJTZQBHVOZXOLS-SNVBAGLBSA-N 313.383 -0.476 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N1CCC(N2CCCC2=O)CC1 1325475169 OATIBPYRRHTROP-LBPRGKRZSA-N 323.393 -0.083 30 20 DBED C=CCN(CCOC)C(=O)C(=O)NC[C@]1(OC)CCOC1 1325733609 MEFILZVVEGMQIP-CQSZACIVSA-N 300.355 -0.431 30 20 DBED C=CCn1cc(CNC(=O)C(=O)NCCc2ccnn2C)nn1 1325975028 UCVMLIKOCTTZES-UHFFFAOYSA-N 317.353 -0.827 30 20 DBED Cn1ccc(=O)n(CCCNC(=O)[C@H](N)CCCC#N)c1=O 1326076326 CEGJNDHYFBMXCW-LLVKDONJSA-N 307.354 -0.926 30 20 DBED CCc1cc(CNC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)n[nH]1 1326128855 SREJCIQTGVSORP-AWEZNQCLSA-N 305.338 -0.535 30 20 DBED CS(=O)(=O)[C@H]1CCN(C(=O)C(=O)Nc2ccc(C#N)cn2)C1 1326287458 UGDWQUZNDZWXSZ-JTQLQIEISA-N 322.346 -0.463 30 20 DBED C#CCOCCNC(=O)C(=O)NCC1CCN(CC2CC2)CC1 1328008009 KOTQPHFJRNSVSV-UHFFFAOYSA-N 321.421 -0.009 30 20 DBED CC#CC[C@H](CO)NC(=O)NCCCCn1cc(C(N)=O)nn1 1328142530 CADBBELIINQCAT-LLVKDONJSA-N 322.369 -0.769 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CC[C@@H]2C[C@@H]2C1 1328475549 JGNYZQPXPVWWBX-GHMZBOCLSA-N 300.380 -0.428 30 20 DBED C=CCN(C(=O)C(=O)NCC[S@](=O)CC)[C@@H](C)COC 1330446104 APZYBNMIMYOSLA-PRWKNARSSA-N 304.412 -0.079 30 20 DBED C#CCN1CCC(C(=O)N2CCOC[C@H]2c2nn[nH]n2)CC1 1339697860 CDUBFQYCTAVVMN-LBPRGKRZSA-N 304.354 -0.555 30 20 DBED Cn1[nH]cc2c(=NC(=O)C(=O)NCC(C)(C)C#N)ccnc1-2 1342409839 HSMSLYLBKKTDDM-UHFFFAOYSA-N 300.322 -0.054 30 20 DBED N#C[C@]1(F)CCN(C(=O)c2cn(C[C@H]3CNC(=O)O3)nn2)C1 1361794505 DBAIZAZXMKFWIB-PRHODGIISA-N 308.273 -0.536 30 20 DBED CC(C)NC(=O)CCNC(=O)CCn1cc(C#N)c(O)nc1=O 1362099012 TYVINZNSCBJDLL-UHFFFAOYSA-N 321.337 -0.758 30 20 DBED CN(C)C(=O)O[C@@H]1CCCN(C(=O)Cn2cnc(C#N)n2)C1 1362469598 YHACCPGEEUPYBW-SNVBAGLBSA-N 306.326 -0.161 30 20 DBED N#Cc1ccccc1OCC(=O)NC[C@@]1(O)CCS(=O)(=O)C1 1362565070 SPWPFCIZYJGRNW-AWEZNQCLSA-N 324.358 -0.397 30 20 DBED N#Cc1cn(CC(=O)Nc2cc3n(n2)CCCC3)c(=O)nc1O 1362870633 WWBQCJKOUHXFPR-UHFFFAOYSA-N 314.305 -0.008 30 20 DBED Cn1c(=O)[nH]c(N2CCO[C@H]([C@@H]3CCCO3)C2)c(C#N)c1=O 1363149484 RBMRFUHKCINSIY-QWRGUYRKSA-N 306.322 -0.671 30 20 DBED N#Cc1cn(CC(=O)N2CCC[C@H]2C2OCCO2)c(=O)nc1O 1363802733 CJUUZVWJNKNERO-JTQLQIEISA-N 320.305 -0.816 30 20 DBED COc1cc(C#N)ccc1S(=O)(=O)NC[C@@H]1CNC(=O)C1 1364872065 OHOLRZNTXIDBCI-JTQLQIEISA-N 309.347 -0.019 30 20 DBED CN(CCNC(=O)CCCC(N)=O)C(=O)c1cc(C#N)c[nH]1 1387854204 BCDOACWZFULPKJ-UHFFFAOYSA-N 305.338 -0.270 30 20 DBED C=C(Cl)CNC[C@H]1CN(C(=O)c2c[nH]c(=O)cn2)CCO1 1402613615 YQWSDVGPAKTCFS-JTQLQIEISA-N 312.757 -0.047 30 20 DBED CNC(=O)NCC(=O)NCCN(C)C(=O)c1c[nH]c(C#N)c1 1408592776 LNUVVNNOQNMWPZ-UHFFFAOYSA-N 306.326 -0.996 30 20 DBED CCc1nnc(C)cc1C(=O)NC[C@@H](O)CNC(=O)[C@H](C)C#N 1410129681 LCRCXEOVOSKMMO-KOLCDFICSA-N 319.365 -0.286 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](C)CNC(=O)c1cnc(N(C)C)cn1 1410277454 CUNXCSPTBGIUBZ-VHSXEESVSA-N 304.354 -0.063 30 20 DBED N#Cc1cn(CC(=O)N2CC[C@H](N3CCCC3)C2)c(=O)nc1O 1412485324 UMCWBRVNTLXDCT-LBPRGKRZSA-N 317.349 -0.483 30 20 DBED C[C@H](C#N)C(=O)N1CC(CNC(=O)CCS(C)(=O)=O)C1 1416103572 TVGZOFHPSHYJCJ-SECBINFHSA-N 301.368 -0.845 30 20 DBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nn1cnnc1 1417693398 LZHXXBPLJYGUKQ-VIFPVBQESA-N 320.334 -0.413 30 20 DBED CNC(=O)N[C@H]1CCCN(S(=O)(=O)N(C)[C@H](C)CC#N)C1 1424661346 DGEBSPCBBBPITI-MNOVXSKESA-N 317.415 -0.141 30 20 DBED CCC(=O)N1CC[C@H](C(=O)N(C)CCNC(=O)[C@H](C)C#N)C1 1449187395 JJKPWMQKMIXVTF-NEPJUHHUSA-N 308.382 -0.021 30 20 DBED CNS(=O)(=O)c1ccc(Cn2c(=O)[nH]cc(C#N)c2=O)cc1 1459138492 UYHPWUOKVJMWQL-UHFFFAOYSA-N 320.330 -0.635 30 20 DBED CC(C)[C@H](C#N)N1CCN(C(=O)CCCS(N)(=O)=O)CC1 1464752799 UOTMBIHOQCMAOS-LBPRGKRZSA-N 316.427 -0.253 30 20 DBED COC(C)(C)CC(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1 1523884216 CQTLUEWHZXUJEE-JTQLQIEISA-N 316.379 -0.233 30 20 DBED CCn1ncc(C(=O)NC[C@@H](O)CNC(=O)[C@H](C)C#N)c1C 1533311979 DZJOANMMHZTSLM-KOLCDFICSA-N 307.354 -0.422 30 20 DBED C#CCNC(=O)CN1CCC(CO)(NC(=O)[C@H]2CC2(C)C)CC1 1570490025 HAPSMWPSAYHICW-CYBMUJFWSA-N 321.421 -0.275 30 20 DBED CSCC[C@H](Nc1cnc(C#N)c(-c2nn[nH]n2)n1)C(N)=O 1580225379 FDQISRASGACYFD-LURJTMIESA-N 319.354 -0.453 30 20 DBED N#Cc1ncc(N2CC[C@@H](C3OCCO3)C2)nc1-c1nn[nH]n1 1581881938 FSVYWWLHQCWQOY-MRVPVSSYSA-N 314.309 -0.272 30 20 DBED C#CCN(CC(=O)O)C(=O)CCN1C(=O)NC2(CCCC2)C1=O 1588402347 RSPHKOWJPMWVEI-UHFFFAOYSA-N 321.333 -0.213 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1n[nH]cc1-c1nn[nH]n1 1588404571 IJGJHVRCFSAQLK-SECBINFHSA-N 304.314 -0.001 30 20 DBED C#CC[C@@H](NC(=O)Cc1ccc(S(N)(=O)=O)s1)C(=O)O 1588407712 NCEXNAZCSRDIHQ-MRVPVSSYSA-N 316.360 -0.469 30 20 DBED COC(=O)C1(C(=O)Cn2c(C)nc(-c3nn[nH]n3)c2C#N)CC1 1591242395 LJCXAXUYYWCMBM-UHFFFAOYSA-N 315.293 -0.234 30 20 DBED N#CCCN(CCN1CCOCC1)Cc1cn(CC(=O)O)nn1 1601067674 FTHURTHJHOUEJS-UHFFFAOYSA-N 322.369 -0.589 30 20 DBED N#Cc1cc(C(=O)N2CCN(C(=O)[C@@H]3C[C@H]3C(=O)O)CC2)c[nH]1 1601085214 WECDBNKFZUZPBD-VXGBXAGGSA-N 316.317 -0.109 30 20 DBED C#CCN(CC(=O)O)c1nnnn1CCO[C@H]1CC1(F)F 1602700703 FPTCICMSKQXFAW-QMMMGPOBSA-N 301.253 -0.379 30 20 DBED N#CC1(C(=O)O)CCN(C(=O)CCN2C(=O)CCC2=O)CC1 1608171161 HGGSOBJRPLLNSJ-UHFFFAOYSA-N 307.306 -0.258 30 20 DBED N#C[C@H]1COCCN1S(=O)(=O)c1cncc(-c2nn[nH]n2)c1 1609494628 JIJRHVDFVDACQE-VIFPVBQESA-N 321.322 -0.825 30 20 DBED CCn1c([C@@H]2C[C@@H]2C#N)nnc1N1CCO[C@H](C(=O)NC)C1 1646709520 RHZFWBGJVZNBTG-MXWKQRLJSA-N 304.354 -0.124 30 20 DBED CN(CCS(C)(=O)=O)C(=O)NCC1(C#N)CCOCC1 1650554681 FFENICVLVANCHK-UHFFFAOYSA-N 303.384 -0.007 30 20 DBED C#CCCN(C)CCCNC(=O)c1cn(CC(=O)N(C)C)nn1 1752122465 ZOVRZUZZQDKBNN-UHFFFAOYSA-N 320.397 -0.559 30 20 DBED C#CCCN1CCN(CCNC(=O)CCS(C)(=O)=O)CC1 1752366871 DHGCOOKMUNCAMA-UHFFFAOYSA-N 315.439 -0.822 30 20 DBED C#CCNC(=O)CN1CCC[C@@H]([C@@H](C)NC(=O)CNC(C)=O)C1 1752833344 FBHDYMWMNPCENR-TZMCWYRMSA-N 322.409 -0.911 30 20 DBED COCCS(=O)(=O)CC(=O)N[C@@H]1CCC[C@@H](NCC#N)C1 1752971306 LAPUXUUOYAIVKJ-VXGBXAGGSA-N 317.411 -0.412 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H]1CCN(Cc2nncn2C)C1 1753124765 MHSVPPWFEYXVAZ-STQMWFEESA-N 305.382 -0.209 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)CCNC[C@@H]1CCNC(=O)CC1 1753189875 YNVVJESMWDJFJE-KBPBESRZSA-N 309.410 -0.011 30 20 DBED C#CCNC(=O)CNCCN(C)C(=O)c1cnc(Cl)n1C 1753212246 TYNFDIJNBNGIRJ-UHFFFAOYSA-N 311.773 -0.516 30 20 DBED C#CCNC(=O)CN1CCO[C@H](CNC(=O)c2[nH]ccc2C)C1 1753650088 MPBZPIMUEJGDFM-CYBMUJFWSA-N 318.377 -0.497 30 20 DBED C=CCCC(=O)NC[C@H]1CN([C@@H](C)C(=O)NC(N)=O)CCO1 1753656510 HOHONZHJHFZNQS-QWRGUYRKSA-N 312.370 -0.647 30 20 DBED CC#CCNC[C@H](O)CNC(=O)[C@H]1COc2ccccc2O1 1753935527 KPRXQNPZXBNFBB-SWLSCSKDSA-N 304.346 -0.084 30 20 DBED C=CCN1CC[C@H](NC/C=C\CNC(=O)c2[nH]nnc2C)C1=O 1754165422 AFJKOFXRXKZCMC-RXNFCKPNSA-N 318.381 -0.224 30 20 DBED CN(C)c1ncccc1C(=O)NC[C@]1(O)CCN(CC#N)C1 1754761688 AJZFZFYROVBXFF-OAHLLOKOSA-N 303.366 -0.162 30 20 DBED C=CCNC(=O)CNC1(CNC(=O)[C@@H]2C[C@H]2C(=O)OC)CCC1 1754978633 MQGJMZCFKOIXQB-VXGBXAGGSA-N 323.393 -0.274 30 20 DBED C[C@@H](C(=O)N1CCOC2(CN(CC(=O)NCC#N)C2)C1)C1CC1 1755049006 BITDLXVQRYWZNL-GFCCVEGCSA-N 320.393 -0.415 30 20 DBED C#CCNCC1(O)CCN(C(=O)c2cc(OC)n(C)n2)CC1 1755150499 RJSYNVZMWYCDQQ-UHFFFAOYSA-N 306.366 -0.381 30 20 DBED N#CCNCC1(O)CCN(C(=O)c2cc(C(N)=O)ccn2)CC1 1755156167 NHLPOPPOVGMJJK-UHFFFAOYSA-N 317.349 -0.739 30 20 DBED CC#CCN1CC(CCO)(NC(=O)C[C@H]2CCC(=O)NC2)C1 1755332665 HSJJBBFMAOLNPH-CYBMUJFWSA-N 307.394 -0.521 30 20 DBED COCC#CCN[C@H](CO)CNC(=O)CCc1ccc(O)nc1 1755636463 HWVWWWFFVVCMTD-AWEZNQCLSA-N 321.377 -0.564 30 20 DBED C=CCNC(=O)CN[C@H]1CN(C(=O)c2cn(C)nn2)CC1(C)C 1755755508 PIOKZTTWMYXAGZ-LBPRGKRZSA-N 320.397 -0.443 30 20 DBED C#CCNCCOCCN(C)C(=O)[C@@H]1CCC[C@H](C(N)=O)C1 1755876743 RFZCERUALFMYAK-UONOGXRCSA-N 309.410 -0.024 30 20 DBED N#CCSCC(=O)NCC1CC(NC(=O)c2cnn[nH]2)C1 1755939185 QFYRBUDFJCBLSD-UHFFFAOYSA-N 308.367 -0.314 30 20 DBED CC(=O)N1CC(C(=O)N[C@@H](C)[C@@H](C)NC(=O)C#CC2CC2)C1 1755963554 AYMOHWRWZSUXOF-MNOVXSKESA-N 305.378 -0.113 30 20 DBED C[C@H](NC(=O)C#CC1CC1)C1CN(C(=O)Cn2nccn2)C1 1756151178 XKKGKLQGDSAVGX-NSHDSACASA-N 301.350 -0.345 30 20 DBED C=CCOCC(=O)N1CC[C@@H](NC(=O)c2cc[nH]n2)[C@@H](O)C1 1757561372 HMCZBDXKOVBWRK-PWSUYJOCSA-N 308.338 -0.696 30 20 DBED CC(=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21 1786344116 PLJKASWIZPMUPV-KKUMJFAQSA-N 318.373 -0.032 30 20 DBED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)NC=O)C2 1802025373 XURQRNVPWBAXLR-GUIRCDHDSA-N 321.377 -0.876 30 20 DBED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCCO1)CCO2 1836224753 JLZUHCCURDAMGN-CZUORRHYSA-N 322.361 -0.745 30 20 DBED CC(=O)N(C)CCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CC#N 1848021021 YWPXUDYFWOVDPF-STQMWFEESA-N 306.366 -0.030 30 20 DBED C=CC[C@@H](C)NC(=O)N1CCN(CCS(N)(=O)=O)CC1 195509263 WIXXBYYBDIUJMO-LLVKDONJSA-N 304.416 -0.433 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCC[C@H]2CCNC2)C1=O 262588646 XWCPWKGGDMNEHZ-SNVBAGLBSA-N 308.338 -0.921 30 20 DBED C=CCNC(=O)CNC(=O)NC1CCN([C@H]2CCC[C@H]2O)CC1 271937308 ASAVDICVYURBOS-UONOGXRCSA-N 324.425 -0.034 30 20 DBED N#Cc1ccc(S(=O)(=O)NCC(=O)NC[C@@H](O)C2CC2)cc1 291322644 PQMIOKBZZGDHPZ-CYBMUJFWSA-N 323.374 -0.276 30 20 DBED CN1CCC(N/C(O)=N/CCN2CCCS2(=O)=O)CC1 328689431 QMQQNVIDMXGAHE-UHFFFAOYSA-N 304.416 -0.380 30 20 DBED CC[C@H](/N=C(/O)N(C)[C@@H]1COC[C@H]1O)C(=O)N1CCOCC1 329308704 ZYUVNXKADIOPGZ-QJPTWQEYSA-N 315.370 -0.771 30 20 DBED CN1C(=O)C[C@@H](/N=C(/O)N2CC(CO)C2)[C@@H]1c1ccnn1C 329316679 HQJOCWWGRCCHSO-ZWNOBZJWSA-N 307.354 -0.470 30 20 DBED CN1CCC[C@H](/N=C(/O)CN2CCS(=O)(=O)CC2)C1=O 330037573 DKFGCXGFVNXEAU-JTQLQIEISA-N 303.384 -0.706 30 20 DBED Cn1ccnc(NC[C@@H]2CN(C(=O)CCCC#N)CCO2)c1=O 330888032 HTCSTOFTGNKLTD-GFCCVEGCSA-N 319.365 0.113 30 20 DBED CN(CCOCC1CC1)S(=O)(=O)N1CCO[C@H](C#N)C1 336900684 QKYVOPLZJKDZNH-GFCCVEGCSA-N 303.384 -0.186 30 20 DBED COC(=O)[C@@H]1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)[C@@H]1C 337174198 HQWRVCKXMYVBHP-OUAUKWLOSA-N 317.367 -0.661 30 20 DBED CC(C)[C@@H]1CN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CCN1C 337195641 WBWKDOHRXXIFMM-STQMWFEESA-N 316.427 -0.272 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCN(C)C(=O)[C@@H]1C 337196047 WCYYVYCXHGTMLP-QWRGUYRKSA-N 302.400 -0.125 30 20 DBED N#Cc1ccc(CNC(=O)c2cn(CCO)c(=O)nc2O)cc1 345403648 JWDGRDHMKFYZLF-UHFFFAOYSA-N 314.301 -0.257 30 20 DBED C=CCNC(=O)CN1CCC[C@@H](CN(C)S(C)(=O)=O)C1 352544700 SKXZZHIUBRFQGM-LBPRGKRZSA-N 303.428 -0.108 30 20 DBED CC(C)NS(=O)(=O)CCNC(=O)N1CCO[C@@H](C#N)C1 358328413 LPEHJSHOPYOXSK-JTQLQIEISA-N 304.372 -0.752 30 20 DBED Cc1ccc(C(=O)NCCC(N)=O)cc1S(=O)(=O)NCC#N 362603943 XAVRZIJATGMTBC-UHFFFAOYSA-N 324.362 -0.598 30 20 DBED Cc1ccc(C#N)cc1NC(=O)C(=O)N1C[C@H](O)C[C@@H]1CO 372658428 VHKKYIMBLHTEII-VXGBXAGGSA-N 303.318 -0.241 30 20 DBED CCO[C@@H]1C[C@@H](NC(=O)NCC(=O)NCC#N)[C@]12CCCO2 376523661 WUKWIOVINZTKQK-JTNHKYCSSA-N 310.354 -0.348 30 20 DBED N#Cc1ncn(CC(=O)N2Cc3ccccc3C[C@H]2C(N)=O)n1 425949455 IDOHVFKZVNFZAO-LBPRGKRZSA-N 310.317 -0.411 30 20 DBED C=C(C)CCNS(=O)(=O)N1CCN(S(C)(=O)=O)CC1 451796362 BOMISHCXKNGLOA-UHFFFAOYSA-N 311.429 -0.636 30 20 DBED C#CCN1CCN(C(=O)CN2CCC[C@H]2CC(=O)OC)CC1 490865518 CYYZLBNWFSJUAD-AWEZNQCLSA-N 307.394 -0.209 30 20 DBED C#CCNC(=O)C1CCN(C[C@@H](O)CN(C)CCOC)CC1 491387129 XIRAAEBFMKEGPE-HNNXBMFYSA-N 311.426 -0.613 30 20 DBED Cc1cc(NC(=O)C(=O)N2CCNC(=O)[C@H]2C)ncc1C#N 566446344 ILXSFFLIVMUCGC-SECBINFHSA-N 301.306 -0.453 30 20 DBED Cc1cc(NC(=O)C(=O)N2CC(=O)N(C3CC3)C2)ncc1C#N 566447609 NODCPGWXKWUIDH-UHFFFAOYSA-N 313.317 -0.009 30 20 DBED Cc1onc(CC(=O)NC[C@]2(O)CN3CCC2CC3)c1C#N 567365505 CYXKZTQCJNVFCV-HNNXBMFYSA-N 304.350 -0.030 30 20 DBED N#CCNS(=O)(=O)CCCS(=O)(=O)N1C2CCC1CC2 568254381 MIYPCGYKCMKLQN-UHFFFAOYSA-N 321.424 -0.224 30 20 DBED C=CCn1cc(CNS(=O)(=O)N2CCC[C@H]2C(=O)O)nn1 569689628 OPWGQSOQXWSPOY-JTQLQIEISA-N 315.355 -0.653 30 20 DBED CN(C)C[C@](C)(C#N)NC(=O)CCN1CCCS1(=O)=O 584413999 FNFHHAGIKNLXKF-LBPRGKRZSA-N 302.400 -0.628 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)Cn2nnc3ccccc3c2=O)C1 592839679 RZEFDTRTAIUQPV-OAHLLOKOSA-N 313.317 -0.331 30 20 DBED N#C[C@H]1CSCCN1C(=O)Cn1nc2n(c1=O)CCCC2 593115630 HITKFKOOYNUMCD-JTQLQIEISA-N 307.379 -0.151 30 20 DBED COC(=O)c1ccc(N2CC(N3CC[C@@H](O)C3)C2)c(C#N)n1 594586834 IEROIAVUKLFKET-LLVKDONJSA-N 302.334 -0.005 30 20 DBED CN(C)c1cc(C#N)cc(C(=O)N2CC(NS(C)(=O)=O)C2)c1 600328082 XTXMKNWDCYPTBH-UHFFFAOYSA-N 322.390 -0.002 30 20 DBED Cn1cnc(S(=O)(=O)NCC(=O)N2CC[C@](F)(C#N)C2)c1 615589634 GFFOTWIJUUSABC-NSHDSACASA-N 315.330 -0.837 30 20 DBED C=CCn1cc(C(=O)NCCCn2c(=O)ccn(C)c2=O)nn1 649217646 YNJZETLRANMRNV-UHFFFAOYSA-N 318.337 -0.855 30 20 DBED C=C[C@H](C)NC(=O)NCCN1CCN(S(C)(=O)=O)CC1 674933971 NQZAOQWZIGHPEF-NSHDSACASA-N 304.416 -0.563 30 20 DBED CNS(=O)(=O)C[C@@H]1CCCN1Cn1ccc(C)c(C#N)c1=O 758233763 WNCDLUKNTBGSNX-LBPRGKRZSA-N 324.406 -0.001 30 20 DBED C#C[C@@H](NS(=O)(=O)CCNS(=O)(=O)CC)[C@H]1CCCO1 773051731 DZJNXLKFKVSQKY-GHMZBOCLSA-N 324.424 -0.974 30 20 DBED C#C[C@@H](NC(=O)c1ccc(S(N)(=O)=O)nc1)[C@H]1CCCO1 775338262 FZQVDWMDHLSALA-GHMZBOCLSA-N 309.347 -0.360 30 20 DBED C#CCCCS(=O)(=O)NCC1(OCCO)CCOCC1 805092112 VRAIKXVTVHPRAB-UHFFFAOYSA-N 305.396 -0.123 30 20 DBED C[C@@](C#N)(CC(=O)O)C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 819811899 WPSVGPBGFDTEHV-NHYWBVRUSA-N 323.349 -0.159 30 20 DBED Cn1cc(C=NNS(=O)(=O)c2ccccc2)c(=O)n(C)c1=O 839383994 SHLKELYCHDKHIJ-UHFFFAOYSA-N 322.346 -0.604 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@H](CO)Cc1cnn(C)c1 846649080 SPVGDFMZHMHQDG-GJZGRUSLSA-N 304.394 -0.215 30 20 DBED C#CCCN(CCOC)C(=O)NCCS(=O)(=O)NCC 853708874 JGZFPOJCSSZKIN-UHFFFAOYSA-N 305.400 -0.393 30 20 DBED COC(=O)CNC(=O)CN1CCN(c2ccc(C#N)cc2)CC1 879584898 MGWZYASMAIUKAX-UHFFFAOYSA-N 316.361 -0.031 30 20 DBED N#C[C@H](C(=O)CN1CCCS1(=O)=O)C(=O)Nc1ccccn1 917509703 NFVKWLBQZQIPKO-SNVBAGLBSA-N 322.346 -0.236 30 20 DBED C#CCN(C(=O)CNS(=O)(=O)c1cn(C)c(C)n1)C(C)C 928629162 LVFXYQJESWTUDK-UHFFFAOYSA-N 312.395 -0.123 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)c2ccnc(OC)n2)CC1 929567269 GINWDPTVACVCFG-UHFFFAOYSA-N 319.365 -0.455 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H]1CNC(=O)C1CS(=O)(=O)C1 944249833 RZTYFUSDUQMMQQ-GXSJLCMTSA-N 313.379 -0.702 30 20 DBED N#CCN1C[C@H]2CCN(C(=O)Cn3c(O)nnc3O)CC[C@H]2C1 946872391 OPJWJDCHUXQLAT-PHIMTYICSA-N 320.353 -0.617 30 20 DBED CC#CCN1CCC[C@@H](N(C)C(=O)C[C@@H]2NC(=O)NC2=O)CC1 948445011 SOOSYADAAJDJBY-OLZOCXBDSA-N 320.393 -0.079 30 20 DBED C#CCCN1C[C@H](O)[C@H](CNC(=O)c2cc(C(N)=O)c[nH]2)C1 958524965 DGPORJPBYAKGIA-YPMHNXCESA-N 304.350 -0.841 30 20 DBED CC#CCN1C[C@H](CNC(=O)c2cccc(C(N)=O)n2)[C@@H](O)C1 958736889 VLRHYLIOYOTKJC-FZMZJTMJSA-N 316.361 -0.774 30 20 DBED C=CCn1cccc1C(=O)NC[C@@H]1CN(C(=O)C(N)=O)C[C@@H]1C 959573971 VQUPJTHVUQNGND-NWDGAFQWSA-N 318.377 -0.016 30 20 DBED N#CCN1C[C@H]2C(NC(=O)c3cn(C4CCOCC4)nn3)[C@@H]2C1 962233537 UABUHAODIUKPRP-VXGBXAGGSA-N 316.365 -0.187 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(C1)CN(C(=O)[C@@H]1CCOC1)CCO2 965321673 RKWMHBMOMCAQEK-NWDGAFQWSA-N 307.350 -0.378 30 20 DBED C=C1CC(C)(C(=O)N2CCOC3(CN(C(=O)CC(N)=O)C3)C2)C1 965481625 INHATHXDCJMIDQ-UHFFFAOYSA-N 321.377 -0.342 30 20 DBED C[C@H]1CN(C(=O)c2cnn[nH]2)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 966570657 IJWLXOYBINVKJQ-QPUJVOFHSA-N 313.321 -0.105 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1COCCO1 968561048 GQJVHTBTLAEESG-FVCCEPFGSA-N 307.350 -0.237 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCC(=O)N3)C[C@@H]2O)C1 970378098 UMXRKQDVGZQSAH-UTUOFQBUSA-N 321.377 -0.691 30 20 DBED C#CCN1C[C@H]2CC[C@H]1CN2C(=O)[C@@H]1CC(=O)N(CCOC)C1 971445856 OPUZUKLFDPDHEW-QLFBSQMISA-N 319.405 -0.210 30 20 DBED CC#CCN1C[C@H]2CC[C@H]1CN2C(=O)CN1CC(=O)NC1=O 971927773 AJOPDXLNZDMQAY-NWDGAFQWSA-N 304.350 -0.763 30 20 DBED CC(=O)N1CCO[C@H](C(=O)N2C[C@H]3CC[C@H]2CN3CC#N)C1 972069986 MBYPJTMVDUJUBD-RDBSUJKOSA-N 306.366 -0.568 30 20 DBED O=C1CC[C@@H](C(=O)N2C[C@H]3CCN(C(=O)C#CC4CC4)C[C@H]32)N1 974680217 KGCPWINNJCXAGZ-HZSPNIEDSA-N 315.373 -0.262 30 20 DBED C#Cc1ccc(C(=O)NCC2[C@H]3CN(CC(=O)NC)C[C@H]23)nc1 978980806 CDTJJRYYJPXRGT-ZIAGYGMSSA-N 312.373 -0.284 30 20 DBED C#CCN1C[C@@]2(C)CN(C(=O)Cn3c(O)nnc3O)C[C@@]2(C)C1 982758099 XNCMIXOEXIGCPU-GASCZTMLSA-N 319.365 -0.507 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC(NC(=O)c3cc[n+]([O-])cc3)C2)c1 990140741 QGTNSKAFGLILAA-UHFFFAOYSA-N 311.301 -0.226 30 20 DBED CC(C)C(=O)N[C@@H]1CC(=O)N(C2CN(C(=O)[C@@H](C)C#N)C2)C1 995468793 LVFOMFRMTJBTGI-WDEREUQCSA-N 306.366 -0.270 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)c2cc(C(N)=O)cn2C)C1 996773100 GRHSXNJLKVVEPT-QMMMGPOBSA-N 303.322 -0.776 30 20 DBED C=C(C)CN[C@H]1CCCN(C(=O)Cn2cnc(C(N)=O)n2)C1 999199993 JWWPTOGBCXQYKU-NSHDSACASA-N 306.370 -0.466 30 20 DBED CN(C(=O)c1cn([C@@H]2CCOC2)nn1)C1CC(NCC#N)C1 999657875 MDBUXPGXZFVYMT-MOENNCHZSA-N 304.354 -0.044 30 20 DBED C[C@@H](C#N)C(=O)N1CC(CNC(=O)c2nnn(C(C)(C)C)n2)C1 1002408475 IXJHALGLRIHVRN-VIFPVBQESA-N 319.369 -0.224 30 20 DBED C[C@H](NC(=O)[C@H]1CCC(=O)N1C)C1CN(C(=O)C#CC2CC2)C1 1006661566 KKHYSSWYYWZLNE-SMDDNHRTSA-N 317.389 -0.016 30 20 DBED C#CCCN1CC[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 1015865357 WQRMACLGGANVCJ-NSHDSACASA-N 314.349 -0.715 30 20 DBED C=CCN1CCC2(CC1)C[C@H]2NC(=O)C[C@@H]1NC(=O)NC1=O 1016662681 ASBOZKMTYKAVJI-WDEREUQCSA-N 306.366 -0.259 30 20 DBED C=CCN1CCC2(CC1)C[C@H]2NC(=O)c1cn(CC(N)=O)nn1 1016984611 GCJFHKAWGWOKES-GFCCVEGCSA-N 318.381 -0.466 30 20 DBED C#Cc1ccc(C(=O)N2C[C@@H](NC(=O)C(N)=O)CC[C@@H]2C)nc1 1018375734 PUAXNKWJBFCIFG-JQWIXIFHSA-N 314.345 -0.343 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCN(C(=O)[C@H]3COCCO3)C2)C1 1019361976 WYDOQUWIUMTEKE-NWDGAFQWSA-N 307.350 -0.378 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H](NCc2cnon2)C1 1020250761 PGIOLCMZALDJFG-OBJOEFQTSA-N 303.366 -0.096 30 20 DBED N#CCN[C@H]1C[C@H](NC(=O)CN2CCCCS2(=O)=O)C1 1020398196 VPHAZOPQAROKSN-XYPYZODXSA-N 300.384 -0.828 30 20 DBED C=CCN1CC[C@H](N[C@H]2C[C@@H](NC(=O)[C@H]3CCC(=O)N3)C2)C1=O 1021899223 KJTUOSZIZGGDOB-XQHKEYJVSA-N 320.393 -0.711 30 20 DBED C=CCN[C@@H]1CC[C@H]2CN(C(=O)c3cn(CC(N)=O)nn3)C[C@@H]21 1026425229 CMLKRXYIZINJNT-SDDRHHMPSA-N 318.381 -0.610 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN(Cc2cn(CC)nn2)C1 1030464444 TVRRKOMFRONGIP-HNNXBMFYSA-N 316.409 -0.304 30 20 DBED C=C(Br)CN1CC(NC(=O)[C@@H]2CNC(=O)N2)C1 1030880359 YVFULLBPZOCWDZ-QMMMGPOBSA-N 303.160 -0.623 30 20 DBED C=CCN1CCO[C@@H](CNC(=O)c2cc(=O)n3[nH]cnc3n2)C1 1035575708 GEKLCUUQRBMXHT-JTQLQIEISA-N 318.337 -0.966 30 20 DBED N#CCN1CCO[C@H](CNC(=O)c2cncc(C(N)=O)c2)C1 1035615214 WYJJXMPKOHFZRY-GFCCVEGCSA-N 303.322 -0.865 30 20 DBED C[C@H]1CN(C(=O)CN2C(=O)CN(C)C2=O)CC[C@@H]1NCC#N 1036287218 VWOXDXHZHVFKPF-QWRGUYRKSA-N 307.354 -0.769 30 20 DBED C=CCCCC(=O)NC[C@]1(O)CCN(C(=O)c2nc[nH]n2)C1 1040729033 KLVNECJSGRTALU-CQSZACIVSA-N 307.354 -0.146 30 20 DBED C=C(C)CCC(=O)N1CC[C@@](O)(CNC(=O)Cn2cncn2)C1 1040963173 UBDMDQGIIKVCBS-OAHLLOKOSA-N 321.381 -0.286 30 20 DBED Cc1nsc(NC[C@@H]2CN(C(=O)C(N)=O)CCCO2)c1C#N 1041526035 STPMMTKNCYNRQF-SECBINFHSA-N 323.378 -0.162 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(O)CN(C(=O)c2cncn2C)C1 1042811617 KNEAFSNCRUCRQP-CQSZACIVSA-N 322.365 -0.950 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@@H]3C[C@@H]3C2)C1 1043039891 KNBGDZACCQTJFL-WDNDVIMCSA-N 320.389 -0.238 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CN([C@H]2CCCNC2=O)C1 1043922660 HIUBRBUYXGNDNO-RDBSUJKOSA-N 307.394 -0.001 30 20 DBED N#Cc1cc(C(=O)N2CCC[C@H]2CN[C@H]2CCNC2=O)c[nH]1 1045001834 APWBRGZSLJUTDJ-STQMWFEESA-N 301.350 -0.031 30 20 DBED C#CCCN1C[C@H]2C[C@H](NC(=O)Cn3c(O)nnc3O)C[C@H]1C2 1047189955 GKSXEXUNUMOXEC-SDDRHHMPSA-N 319.365 -0.318 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@]2(C)CCN(C(C)=O)C2)C1 1047590092 XNUVWGWUYQFDHB-DZKIICNBSA-N 309.410 -0.066 30 20 DBED COCc1ncc(C(=O)N(C)[C@H]2CN(CC#N)C[C@@H]2O)s1 1047648722 ACPVCOWVTCRVOR-UWVGGRQHSA-N 310.379 -0.070 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cc[n+]([O-])cc2)C1 1048123283 JLFNXHCFOINKRO-KBPBESRZSA-N 319.361 -0.070 30 20 DBED C[C@@H]1C[C@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CSCC#N)C1 1048301510 CGMMIJBPYTYSMB-WYUUTHIRSA-N 311.407 -0.071 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cocn2)C1 1048548217 XXXZXSZDGANCTO-DRZSPHRISA-N 321.333 -0.643 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H](O)C(C)C)C1 1048785259 GURIRSIZCWIXFP-KCQAQPDRSA-N 310.394 -0.163 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CCC(=O)N2)C1 1049065222 BXQIDMQJYCBCHR-AGIUHOORSA-N 323.393 -0.349 30 20 DBED Cc1cc(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)C#N)C2)ncn1 1049388604 NJMQRYJMHAENPL-ICCXJUOJSA-N 317.349 -0.412 30 20 DBED C[C@@H]1[C@@H](NC(=O)c2nnn(C)n2)CCN1c1ccncc1C#N 1050897206 TVOVUPNZUOPRTG-KOLCDFICSA-N 312.337 -0.126 30 20 DBED N#CCN1CCOC[C@@H]1CNC(=O)c1cnn2ccncc12 1050955398 LBPARCOIFZWYJD-NSHDSACASA-N 300.322 -0.317 30 20 DBED C#CCCN1CCOC[C@H]1CNC(=O)c1ccnn1CCOC 1050970081 ATLLALQZAYQFGV-CQSZACIVSA-N 320.393 -0.017 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)c1ccc2c(n1)OCCO2 1051003904 SEULZVCBVDLBQW-LBPRGKRZSA-N 317.345 -0.083 30 20 DBED N#CCN1CCN([C@H]2CCN(C(=O)Cc3cnc[nH]3)C2)CC1 1052091064 BRRUFRFRGWELNY-AWEZNQCLSA-N 302.382 -0.306 30 20 DBED C=CCOCC(=O)N1C[C@H](C)[C@H](CNC(=O)Cn2cnnn2)C1 1052215976 UROZZKVZEJFFEP-NWDGAFQWSA-N 322.369 -0.914 30 20 DBED C=CCOCC(=O)N1C[C@H](CNC(=O)c2nc[nH]n2)[C@@H](C)C1 1052221494 RAKOVUBMDPPLPH-QWRGUYRKSA-N 307.354 -0.168 30 20 DBED C#CCCCC(=O)N1C[C@H](C)[C@H](CNC(=O)Cn2ncnn2)C1 1052477208 FWKPNGKXPPJOIM-QWHCGFSZSA-N 318.381 -0.313 30 20 DBED C#CCN1CC2(C1)CN(C(=O)c1cccc3ncnn13)CCO2 1053328957 LTVAOTQKJIZWBS-UHFFFAOYSA-N 311.345 -0.111 30 20 DBED C#Cc1ccc(C(=O)N2CCOC3(CN(CCO)C3)C2)cn1 1053512705 WSUBYXNUBIXUDV-UHFFFAOYSA-N 301.346 -0.418 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)Cn1ccccc1=O)CCO2 1053529356 WHMHHXBCGVPKOA-UHFFFAOYSA-N 315.373 -0.215 30 20 DBED C#CCN1CC2(CC[C@H](CNC(=O)[C@H]3COCCN3C)O2)C1 1053592736 QNZXPOAAXMOGSZ-ZIAGYGMSSA-N 307.394 -0.700 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)C[C@H]3CCC(=O)NC3)CO2)C1 1053827539 BXKURPHDGWOCFO-VXGBXAGGSA-N 306.366 -0.614 30 20 DBED C=C(C)CN1CC2(C[C@@H](NC(=O)CN3C(=O)CCC3=O)CO2)C1 1054003221 PXWMYELJSMANDJ-GFCCVEGCSA-N 321.377 -0.329 30 20 DBED CCN1CCO[C@H](C(=O)N[C@H]2COC3(C2)CN(CC#N)C3)C1 1054014277 KWACNDNPFHCTJR-OLZOCXBDSA-N 308.382 -0.810 30 20 DBED C=CCCCC(=O)N1C[C@H]2CN(C(=O)[C@@H]3CNC(=O)N3)C[C@H]2C1 1055446982 IIDWMTADPAPOIR-XQQFMLRXSA-N 320.393 -0.059 30 20 DBED Cn1nccc1CC(=O)NC1[C@@H]2CN(c3ccc(C#N)nn3)C[C@@H]12 1056174756 XLVBZIZBGXTYKX-CHWSQXEVSA-N 323.360 -0.125 30 20 DBED C=CCOCC(=O)N1CC[C@H]2[C@@H]1CCCN2C(=O)CNC(N)=O 1056221176 PJMLTTPJRLMZHU-RYUDHWBXSA-N 324.381 -0.551 30 20 DBED N#Cc1cncc(N2C[C@H]3C(NC(=O)c4cnnc(O)c4)[C@@H]3C2)n1 1056334155 YIMMGURQXWNNMC-GHMZBOCLSA-N 323.316 -0.292 30 20 DBED CN1C(=O)CC[C@@H]1C(=O)N1CC[C@@H](Nc2nccnc2C#N)C1 1056758656 TXBHVGRNUKUTHO-ZYHUDNBSSA-N 314.349 -0.018 30 20 DBED C#CCO[C@H](C)C(=O)NCCN(CCO)C(=O)c1ccn(C)c1 1057344029 KHKMFKXQZMVPQK-CYBMUJFWSA-N 321.377 -0.386 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)c1cnn(C)c1 1057517323 QCDQRQJCKVSFJA-UHFFFAOYSA-N 306.366 -0.370 30 20 DBED C[C@@H]1OCCO[C@@H]1C(=O)NCCN(CCO)C(=O)C#CC1CC1 1057538192 WSXKRTPPSXPYAC-WFASDCNBSA-N 324.377 -0.859 30 20 DBED N#Cc1cncc(N[C@H]2CCCN(C(=O)[C@@H]3CCNC3=O)C2)n1 1057724571 IJTFHHDVOSFXDC-CMPLNLGQSA-N 314.349 -0.113 30 20 DBED C[C@@H]1C[C@H](C(=O)N(CCO)CCNC(=O)C#CC2CC2)CO1 1057949697 YJWCZGIJSKFIET-OCCSQVGLSA-N 308.378 -0.238 30 20 DBED Cn1c(C(=O)N[C@@H]2CCN(c3ccc(C#N)nn3)C2)cnc1O 1058507979 ROAYDDGSJYZEII-SNVBAGLBSA-N 313.321 -0.204 30 20 DBED Cc1cnn(CC(=O)NCCN(CCO)C(=O)[C@H](C)C#N)c1 1058652812 FXWGJDJCFHNBKQ-GFCCVEGCSA-N 307.354 -0.712 30 20 DBED COc1ncc(C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N)cn1 1058700426 CUSGMENBKMIKHN-JTQLQIEISA-N 321.337 -0.804 30 20 DBED CNC(=O)NCC(=O)N1CC[C@H](CCNC(=O)C#CC2CC2)C1 1059782739 MIMSMSMNGUEQNE-ZDUSSCGKSA-N 320.393 -0.316 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CC[C@H](CNC(=O)Cn2ncnn2)CC1 1060816413 ZFQHHMRDLJXPIQ-IJLUTSLNSA-N 319.369 -0.376 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1COCCN1C(=O)[C@@]12COC[C@@H]1C2 1061573469 STMPGGDJGMIGKJ-VBQJREDUSA-N 318.373 -0.220 30 20 DBED C=CCCC(=O)N1CCOC[C@H]1CNC(=O)Cc1n[nH]c(C)n1 1061575323 OBYHSCHVQLLOLF-GFCCVEGCSA-N 321.381 -0.035 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CCCCN1C(=O)Cn1cncn1 1062355633 BBVXHZQJSTUYBP-VXGBXAGGSA-N 304.354 -0.065 30 20 DBED N#Cc1cnc(N2CC[C@@H]3CCN(C(=O)C(N)=O)C[C@H]32)cn1 1064698397 CBLWXTVSDLHOAR-GXSJLCMTSA-N 300.322 -0.739 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CN(C(=O)c2ccnn2C)CCO1 1064943715 MFPQWCBULYGWJQ-GHMZBOCLSA-N 305.338 -0.463 30 20 DBED C=CCC1(C(=O)NC[C@@H]2CN(C(=O)CC(N)=O)CCO2)CCC1 1064998405 FDMNBHXSGNUQPB-GFCCVEGCSA-N 323.393 -0.048 30 20 DBED C#CCCCC(=O)N1CCO[C@@H](CNC(=O)c2nc[nH]n2)C1 1065095680 MUEIMPBFDOHGKY-NSHDSACASA-N 305.338 -0.435 30 20 DBED C=CCCOCC(=O)N1CCO[C@@H](CNC(=O)COC)C1 1065281242 WLQJDMXYCSBONJ-LBPRGKRZSA-N 300.355 -0.431 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2cnon2)CCO1 1065507904 WQYUCYUNOKYIDZ-JTQLQIEISA-N 310.310 -0.771 30 20 DBED Cc1ccn(CC(=O)NC[C@@H]2CN(C(=O)[C@H](C)C#N)CCO2)n1 1065557716 UOFQDBUSGCLCLB-DGCLKSJQSA-N 319.365 -0.305 30 20 DBED C=CCOCC(=O)N[C@H]1CCCN(C(=O)Cn2cnnn2)CC1 1065984419 BGNIWMJEFLIDLT-LBPRGKRZSA-N 322.369 -0.627 30 20 DBED C=C(C)C[C@H](C)C(=O)N1CCOC2(CN(C(=O)CC(N)=O)C2)C1 1068435363 RMFOGOGGCXQLRG-LBPRGKRZSA-N 323.393 -0.096 30 20 DBED CN(C(=O)[C@H]1COC(=O)N1)C1CC(Nc2ccc(C#N)nn2)C1 1069736062 VLCPLFNCIANQHA-VQXHTEKXSA-N 316.321 -0.142 30 20 DBED C#CCN1CCn2ncc(CNC(=O)c3[nH]c(O)nc3C)c2C1 1069864321 JOBIWSHGMRYGDV-UHFFFAOYSA-N 314.349 -0.001 30 20 DBED N#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)C[C@@H]2CCCOC2)C1 1070098881 XKIJCBPFGYKRCJ-MJBXVCDLSA-N 318.381 -0.040 30 20 DBED C=CCN[C@@H]1CN(C(=O)Cc2cncn2C)C[C@@H]1n1ccnn1 1070311329 XZNXSVJULWNIDC-KGLIPLIRSA-N 315.381 -0.218 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCCN(C(=O)COCC)C1 1070382350 UZFPOJLYVDOSOV-GFCCVEGCSA-N 309.366 -0.730 30 20 DBED C=CCN[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)C[C@H]1c1cncn1C 1070683303 HDSKVFDDWRWMSE-GRYCIOLGSA-N 318.381 -0.829 30 20 DBED C=C(C)CN1CCNC(=O)CCN(C(=O)C2(C(N)=O)CC2)CC1 1070993476 BYDHLXKVOCFEAD-UHFFFAOYSA-N 322.409 -0.522 30 20 DBED N#CCN[C@@H]1CCO[C@H]1C1CCN(C(=O)Cn2cncn2)CC1 1071102144 NTSGWDFDSPRVDM-HIFRSBDPSA-N 318.381 -0.213 30 20 DBED C#CCN1CC[C@]2(C1)CN(C(=O)Cc1n[nH]c(C)n1)C[C@@H](C)O2 1071166870 PBLIITXXYXDXDP-WBMJQRKESA-N 317.393 -0.019 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(C(=O)COCC)C[C@@H]1C 1071529476 JIULSSUOVAYPGE-NWDGAFQWSA-N 309.366 -0.875 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1C 1072007550 SRUZYADXLXKCHV-VXGBXAGGSA-N 321.381 -0.016 30 20 DBED COc1cc(C(=O)NC[C@@H]2CN(CC#N)CCCO2)ncn1 1073605187 DFPRDDSKOMHRQX-LLVKDONJSA-N 305.338 -0.171 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(C(=O)Cn2ncnn2)C[C@@H]1C 1073817014 IZTRYSQJPUUJEK-NWDGAFQWSA-N 322.369 -0.771 30 20 DBED C#CCCCC(=O)N[C@H]1CCN(C(=O)c2nnn(C)n2)C[C@H]1C 1073916083 IYXABTNQXJCVBU-NEPJUHHUSA-N 318.381 -0.020 30 20 DBED C#CCOCCC(=O)N1CC[C@H](NC(=O)c2cnn[nH]2)C[C@H]1C 1075055180 FQMBTZYBVAFDGC-NEPJUHHUSA-N 319.365 -0.046 30 20 DBED Cc1nc(O)nc(O)c1CC(=O)N1CC[C@H]2CN(CC#N)C[C@H]21 1076393829 YTTNPQANQYZSND-CMPLNLGQSA-N 317.349 -0.205 30 20 DBED C#CCOCCC(=O)N[C@@H](C)CCNC(=O)c1cnnc(O)c1 1076984725 ZEGYSLPPOHOSEC-NSHDSACASA-N 320.349 -0.153 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@@H]1CCCN(C(=O)Cn2ncnn2)CC1 1079061895 LTQRASONUBDATF-VXGBXAGGSA-N 319.369 -0.328 30 20 DBED C#CCN1CCC(C(=O)N2C[C@@H](O)[C@H](CNC(=O)CC)C2)CC1 1081145014 VMRQSVUKHYPVTH-HUUCEWRRSA-N 321.421 -0.323 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(C(=O)c2cc[nH]c2)C[C@@H]1O 1081488825 MLJUYJQPDSUUFF-KGLIPLIRSA-N 319.361 -0.396 30 20 DBED C=CCCOCC(=O)NC[C@H]1CN(C(=O)c2cocn2)C[C@H]1O 1081569407 NZVXLXAMBQBEIH-WCQYABFASA-N 323.349 -0.184 30 20 DBED C=CC(C)(C)C(=O)NC[C@H]1CN(C(=O)c2cnn[nH]2)C[C@H]1O 1081644644 DEFODDLGQMYTRY-GXSJLCMTSA-N 307.354 -0.434 30 20 DBED C#CCCCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2nc[nH]n2)C1 1081652434 AVSAJKCKXCFIDK-VXGBXAGGSA-N 319.365 -0.453 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CCOC)C2)C[C@H]1C 1082541946 RYJRIAUGWVNNIX-MGPQQGTHSA-N 307.394 -0.449 30 20 DBED CC(C)(C)N1CCC[C@H](C(=O)N[C@@H]2CN(CC#N)C[C@@H]2O)C1=O 1083717850 RPMKFGBMJDRCNM-UPJWGTAASA-N 322.409 -0.292 30 20 DBED N#CCN[C@H]1C[C@H](CNC(=O)c2cc(=O)n3[nH]cnc3n2)C1 1086532761 IEQZOMLITCELGC-KYZUINATSA-N 301.310 -0.961 30 20 DBED N#CCN1C[C@H](NC(=O)[C@@H]2COC(=O)N2)CC2(CCOCC2)C1 1089940180 ZFZNXUFWVMPKOI-NEPJUHHUSA-N 322.365 -0.394 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2ccc(=O)n(C)c2)[C@@H](O)C1 1090392766 VINROMAERNBCIN-KBPBESRZSA-N 303.362 -0.426 30 20 DBED N#Cc1cnc(N2C[C@@H](O)[C@H](NC(=O)CC3(O)CCC3)C2)cn1 1090410767 HYQJEDCLUFPPPP-VXGBXAGGSA-N 317.349 -0.681 30 20 DBED COCC[C@@H](C)C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1O 1090427879 DOFJLSVQSBBTBF-RAIGVLPGSA-N 319.365 -0.313 30 20 DBED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C2)c(F)c1 1090533843 KWCOGONNLALGLV-OLZOCXBDSA-N 320.324 -0.766 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cnc3c(cnn3C)c2)[C@H](O)C1 1090679720 PTDVIWIDFRQUSP-UONOGXRCSA-N 313.361 -0.234 30 20 DBED Cc1cc(C#N)nc(N2C[C@H](O)[C@H](NC(=O)[C@H](C)C#N)C2)n1 1091079454 QGXHUPFRZHIHDB-FXAINCCUSA-N 300.322 -0.518 30 20 DBED N#Cc1cnccc1N1C[C@H](O)[C@H](NC(=O)CC2(O)CCC2)C1 1091097967 VAPHWUNEAODQRL-OCCSQVGLSA-N 316.361 -0.076 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1091118620 QPYDYPBQYGEESU-NEPJUHHUSA-N 317.349 -0.393 30 20 DBED C[C@@H](C(=O)N1C[C@H]2CN(CC#N)C[C@@]2(C)C1)N1C(=O)CCC1=O 1091716571 MDQDSINPHHNOPF-OZVIIMIRSA-N 318.377 -0.172 30 20 DBED CN(CCOCCN(C)c1ccc(C#N)cn1)C(=O)C(N)=O 1091901349 RRWJJZFPBAKVPO-UHFFFAOYSA-N 305.338 -0.650 30 20 DBED CCOCC(=O)N[C@H]1CCN(c2ccnc(C#N)n2)C[C@H]1O 1092129256 PKYCROSQYZZTRK-WDEREUQCSA-N 305.338 -0.559 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccn2nnnc12 1092967473 XXMJDOWPZHETFI-DBIOUOCHSA-N 312.337 -0.095 30 20 DBED CNC(=O)CC(=O)NC1[C@H]2CN(c3cncc(C#N)n3)C[C@H]12 1093241852 MNHNGJMNWXIAEX-UWVGGRQHSA-N 300.322 -0.965 30 20 DBED Cc1ccn(CC(=O)NCCN=c2cc[nH]c(C#N)n2)c(=O)c1 1094152895 PUMWRCJEOQTOBC-UHFFFAOYSA-N 312.333 -0.531 30 20 DBED C[C@H](CC(N)=O)C(=O)N1CC[C@@H](N(C)c2nccnc2C#N)C1 1095149229 CAEXMDJKCNNMLW-GHMZBOCLSA-N 316.365 -0.103 30 20 DBED CN(C)C(=O)CC(=O)N1CCC(N=c2cc[nH]c(C#N)n2)CC1 1095250473 UUKNWCRPVJUTJV-UHFFFAOYSA-N 316.365 -0.349 30 20 DBED CCN(CCCNC(=O)CNC(=O)NC)c1cncc(C#N)n1 1095980167 IXUUTYGPRYSAKB-UHFFFAOYSA-N 319.369 -0.390 30 20 DBED COC[C@H](OC)C(=O)N1CC[C@H](N=c2cc[nH]c(C#N)n2)C1 1096975194 ITKGEUMHFCEXMH-QWRGUYRKSA-N 305.338 -0.556 30 20 DBED CCC(=O)NCC(=O)N[C@H]1C[C@H](Nc2cncc(C#N)n2)C1 1097002192 VUTUBCFGUPGUTP-MGCOHNPYSA-N 302.338 -0.066 30 20 DBED CNC(=O)C1(C(=O)N[C@H]2C[C@@H](Nc3nccnc3C#N)C2)CC1 1097197803 MSJVUDLXMRRJDL-AOOOYVTPSA-N 314.349 -0.066 30 20 DBED N#Cc1ccc(N2CCC[C@@H](CNC(=O)CNC(N)=O)C2)cn1 1097285736 CEXRJNSOAJFNDA-NSHDSACASA-N 316.365 -0.046 30 20 DBED CNC(=O)CN(CCO)C1CCN(C(=O)C#CC(C)C)CC1 1098361123 ZAEMWXPEFCDSIB-UHFFFAOYSA-N 309.410 -0.323 30 20 DBED C[C@@H](CNC(=O)[C@H](C)S(C)(=O)=O)N=c1cc[nH]c(C#N)n1 1098393214 SCQNTKFMNWVOFC-IUCAKERBSA-N 311.367 -0.880 30 20 DBED CCn1cc(CC(=O)NC[C@@H](C)N=c2cc[nH]c(C#N)n2)nn1 1098433824 YOTKFHMCFOFBHC-SNVBAGLBSA-N 314.353 -0.459 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC[C@H](n2cc(CNCC#N)nn2)C1 1098669411 QAAKPFSUYBISDI-ZFWWWQNUSA-N 318.381 -0.008 30 20 DBED C[C@@H](CCNC(=O)Cn1cnnn1)Nc1cncc(C#N)n1 1098817646 LXWLQFICLNBDEJ-VIFPVBQESA-N 301.314 -0.658 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@H]2COC(=O)N2)C[C@H]1C(F)(F)F 1099244658 MPIADLZWNPQOBX-IWSPIJDZSA-N 305.256 -0.293 30 20 DBED COCC#CCN1CC[C@H](NC(=O)CCSC)[C@H](O)C1 1099657299 QJWVBZLWOTVHFO-QWHCGFSZSA-N 300.424 -0.059 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2cc(C)nn2C)[C@@H](O)C1 1099697596 BQBSVMJFOIZCKO-HIFRSBDPSA-N 320.393 -0.457 30 20 DBED C=C(Cl)CN1CC[C@@H](NC(=O)CCNC(=O)NC)[C@H](O)C1 1099813046 JJCNJYUDEGRJFB-GHMZBOCLSA-N 318.805 -0.391 30 20 DBED COCCOCCN1CC[C@H](NC(=O)C#CC2CC2)[C@H](O)C1 1099826347 KBSZYQQWTFZYOJ-LSDHHAIUSA-N 310.394 -0.386 30 20 DBED C#CCN1CC[C@@H](NC(=O)CNC(=O)c2ccoc2)[C@H](O)C1 1099847168 IHRCWENVFHYPHK-CHWSQXEVSA-N 305.334 -0.806 30 20 DBED CC#CCN1CC[C@H](NC(=O)CCc2ccnn2C)[C@H](O)C1 1099861171 OELRRWITEDRPFX-LSDHHAIUSA-N 304.394 -0.073 30 20 DBED COCC#CCN1CC[C@H](NC(=O)Cn2nccc2C)[C@@H](O)C1 1100022582 OGFBTMXKMQPJIZ-GJZGRUSLSA-N 320.393 -0.607 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)c2nc(C)c[nH]2)[C@@H](O)C1 1100029536 POKHGLZZLKWIKA-RYUDHWBXSA-N 321.381 -0.815 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CC(=O)NCC2CC2)[C@H](O)C1 1100070225 QUUSMDGRWBXRNM-ZIAGYGMSSA-N 307.394 -0.523 30 20 DBED C=CCNC(=O)CNC1CC(CNC(=O)Cc2ccn(C)n2)C1 1100316068 SBAKBAXULWCFPH-UHFFFAOYSA-N 319.409 -0.251 30 20 DBED C#CCNC1CC(CNC(=O)[C@@H](Cn2cccn2)N(C)C)C1 1100401774 KAMRQWOWJCVAPM-YMAMQOFZSA-N 303.410 -0.069 30 20 DBED C=CCOCCNC1CC(CNC(=O)Cn2ncn(C)c2=O)C1 1100466880 YBTNHXRYKQIOID-UHFFFAOYSA-N 323.397 -0.731 30 20 DBED N#Cc1ccc(N2CCC[C@@H]2CNC(=O)CCNC(N)=O)nn1 1100833618 WZFQBYPCDLRBJX-LLVKDONJSA-N 317.353 -0.508 30 20 DBED N#CCNC(=O)CNC1CC(CNC(=O)C23CCN(CC2)C3)C1 1100874495 JRMDBPCNEILPPM-UHFFFAOYSA-N 319.409 -0.794 30 20 DBED CN(CCNc1ncnc2c1nnn2C)C(=O)CSCC#N 1101514687 MGRUIYZRPFZTTH-UHFFFAOYSA-N 320.382 -0.115 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)C2(COC)CC2)C1 1102149639 CUVKTYMLFSJEND-ZIAGYGMSSA-N 321.421 -0.154 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1CNC(=O)CS(=O)(=O)N(C)C 1102536935 ZLAWHWMINSKXMI-GHMZBOCLSA-N 302.400 -0.915 30 20 DBED CC(C)(O)CC(=O)NC[C@@H]1CN(c2ccnc(C#N)n2)CCO1 1104308994 ZPFRCQFJUMSBNQ-LLVKDONJSA-N 319.365 -0.169 30 20 DBED C#CCNCc1cn(C2CN(C(=O)[C@H](OC)C3CC3)C2)nn1 1105224121 YDZKCAQUMZOTBR-CQSZACIVSA-N 303.366 -0.191 30 20 DBED N#Cc1cnc(NC[C@@H](O)CNC(=O)c2cnsn2)cn1 1105722907 BSTACXXYOOCFRE-MRVPVSSYSA-N 305.323 -0.597 30 20 DBED N#Cc1c(F)cccc1NC[C@H](O)CNC(=O)CCNC(N)=O 1105853143 HXGQLJOQOCZRLK-VIFPVBQESA-N 323.328 -0.355 30 20 DBED COCC[C@@H](C)C(=O)NC[C@@H](O)CNc1cnc(C#N)cn1 1105860510 XKQKURACWPAVPP-PWSUYJOCSA-N 307.354 -0.090 30 20 DBED Cc1cc(=NCC[C@H](C)NC(=O)c2nnn(C)n2)c(C#N)c[nH]1 1106523458 MLXGPYSMSHXMQG-VIFPVBQESA-N 314.353 -0.172 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@]1(C)CN(Cc2cnon2)CCO1 1107940942 ZAXGGFUUFKYTII-WFASDCNBSA-N 322.365 -0.185 30 20 DBED COCC(=O)NCCC(=O)N[C@H](C)CNc1cnc(C#N)cn1 1108166937 RCWGDNZRHXPKTN-SNVBAGLBSA-N 320.353 -0.582 30 20 DBED C[C@H](CNc1cnc(C#N)cn1)NC(=O)c1cc(=O)n(C)cn1 1108186421 PDRAREYTBBYHMW-SECBINFHSA-N 313.321 -0.328 30 20 DBED CCN1CCOC[C@H]1C(=O)N[C@@H](C)CNc1cncc(C#N)n1 1108597924 CVDVYIDQAQPYDO-AAEUAGOBSA-N 318.381 -0.014 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H](C)CN(C)c1ccc2nnnn2n1 1108922585 AZANPLAPRRHRJK-HZMBPMFUSA-N 319.369 -0.213 30 20 DBED CN(CCCN=c1cc[nH]c(C#N)n1)C(=O)C[C@@H]1CCC(=O)N1 1109480249 BEDUERMEYKVLND-NSHDSACASA-N 316.365 -0.301 30 20 DBED Cc1cc(C#N)nc(NCCCN(C)C(=O)c2nnn(C)n2)n1 1109588281 XWVDPRUAWPLUFM-UHFFFAOYSA-N 315.341 -0.246 30 20 DBED CNC(=O)CC(=O)N[C@@H](CN=c1cc[nH]cc1C#N)C1CC1 1109841976 NSRXIZWZKWUYLF-ZDUSSCGKSA-N 301.350 -0.182 30 20 DBED C[C@@]1(CNC(=O)C(N)=O)CCCN(c2ccnc(C#N)n2)C1 1110953894 OJRIITAHRACAJB-AWEZNQCLSA-N 302.338 -0.444 30 20 DBED N#Cc1ccc(NCCN(CCO)C(=O)Cc2ccon2)nn1 1111439981 SFDJPKWXEMOGGO-UHFFFAOYSA-N 316.321 -0.188 30 20 DBED COC[C@H](C)C(=O)NC[C@H]1COCCN1c1nccnc1C#N 1111665666 MLFARIWAFZSPRX-RYUDHWBXSA-N 319.365 -0.048 30 20 DBED N#Cc1cnc(NC2(CNC(=O)[C@@H]3COC(=O)N3)CCC2)cn1 1111803914 WKGWUNTUIMHJSW-JTQLQIEISA-N 316.321 -0.093 30 20 DBED CN(CCCN(C)c1cncc(C#N)n1)C(=O)[C@H]1CCC(=O)N1 1112045190 HKZGCKUAIYBIJQ-GFCCVEGCSA-N 316.365 -0.088 30 20 DBED C[C@@H]1CN(C(=O)CNC(N)=O)C[C@@H]1Nc1ccc(C#N)cn1 1112307483 ZLFZMNIJTRCRNE-KOLCDFICSA-N 302.338 -0.120 30 20 DBED CC(=O)NCCOCCN1CCN(C(=O)C#CC(C)C)CC1 1112833349 ULGDDBUTLLFWIA-UHFFFAOYSA-N 309.410 -0.057 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@@H](C)c2ccnn2C)CC1 1112862572 QSKASYCAUHIAAP-ZDUSSCGKSA-N 319.409 -0.030 30 20 DBED CC(=O)NC(C)(C)C(=O)N[C@H](C)[C@@H](C)N=c1cc[nH]c(C#N)n1 1113091176 DWGWDFVAKDQDOH-NXEZZACHSA-N 318.381 -0.010 30 20 DBED C[C@@H](N=c1cc[nH]c(C#N)n1)[C@@H](C)NC(=O)c1cncnc1O 1113198380 CVOMYHRIGPTELA-RKDXNWHRSA-N 313.321 -0.115 30 20 DBED C[C@H](CNC(=O)c1cnn(C)n1)N(C)c1ccnc(C#N)n1 1113651992 NMAUDOWKQDMZSC-SECBINFHSA-N 300.326 -0.269 30 20 DBED C[C@@H](CNC(=O)C[C@H]1CCC(=O)N1)N(C)c1cncc(C#N)n1 1113652521 YYBFVYVULUWBOM-WDEREUQCSA-N 316.365 -0.042 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)c3cnc(C)[nH]3)[C@H]2C1 1114037653 GTZIDBZMSAMGJS-QWRGUYRKSA-N 303.366 -0.320 30 20 DBED Cc1cc(C#N)nc(N2C[C@H](NC(=O)CC(N)=O)C(C)(C)C2)n1 1114428031 WKGMZFJWCBCLIX-NSHDSACASA-N 316.365 -0.137 30 20 DBED N#Cc1cnccc1N1C[C@@H]2C(CNC(=O)Cn3cnnn3)[C@H]2C1 1114508531 NRMJZSLFHIYVQP-CHWSQXEVSA-N 324.348 -0.562 30 20 DBED C=CCCCN1C[C@H]2[C@H](NC(=O)c3nnc(O)nc3O)[C@H]2C1 1114524512 WKJSIVQUCHICHF-MYJAWHEDSA-N 305.338 -0.091 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)Cn3ccc(C)n3)[C@@H]2C1 1114846817 RATAYSPJNSEVDP-CHWSQXEVSA-N 317.393 -0.460 30 20 DBED C=CCn1cc(C(=O)N[C@H]2[C@@H]3CN(C[C@H](O)COC)C[C@@H]32)nn1 1114942593 NRFOEHQUANLXNP-CIQGVGRVSA-N 321.381 -0.869 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)C34CCN(CC3)C4)[C@H]2C1 1115123261 MOKHEDOTRXCJHK-FICVDOATSA-N 303.406 -0.222 30 20 DBED CN(C(=O)CNC(N)=O)[C@H](CNc1cncc(C#N)n1)C1CC1 1115467694 YWGXNABRVRDVEL-LLVKDONJSA-N 317.353 -0.335 30 20 DBED CC(C)[C@@]1(CO)CCN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)C1 1118189459 PQEWWNGDPLHZNV-HOTGVXAUSA-N 323.393 -0.270 30 20 DBED C#CCOCCn1nnnc1N1CCC[C@H](S(C)(=O)=O)C1 1120252207 OIBJITLNFKULOR-NSHDSACASA-N 313.383 -0.664 30 20 DBED N#Cc1nccnc1N[C@H](CO)CNC(=O)C12CCN(CC1)C2 1121807446 VHWAXQYKUGUDJU-NSHDSACASA-N 316.365 -0.667 30 20 DBED COCCOCC(=O)N(C)C[C@@H](O)CNc1cncc(C#N)n1 1124190450 HJEGDKFHLZHMQM-LBPRGKRZSA-N 323.353 -0.758 30 20 DBED CN(C[C@H](O)CNc1cnc(C#N)cn1)C(=O)c1ccn(C)n1 1124353320 VQJNFOGCZCDVLW-LLVKDONJSA-N 315.337 -0.373 30 20 DBED C=C(C)CN(CC)C(=O)CNCCNC(=O)CS(C)(=O)=O 1124362137 JEXAZQKIGJJBBI-UHFFFAOYSA-N 319.427 -0.839 30 20 DBED COC[C@H](OC)C(=O)N(C)C[C@@H](O)CNc1cnc(C#N)cn1 1124722326 XXIBAPUERQCDCW-RYUDHWBXSA-N 323.353 -0.759 30 20 DBED C#CCNC(=O)CC(=O)NCCNCCc1csc(C)n1 1125981735 HZJMOSJCQJWYDT-UHFFFAOYSA-N 308.407 -0.161 30 20 DBED CN(CCOCCNc1ccc(C#N)nn1)C(=O)CC(N)=O 1127247803 LMDKNQLIFBHABN-UHFFFAOYSA-N 306.326 -0.889 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1cc(C)nnc1C 1128284995 RIISXYLMARIMNE-GFCCVEGCSA-N 303.366 -0.449 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)CCCn1ccnn1 1129176622 XMTVSFVREKLZRR-GFCCVEGCSA-N 308.386 -0.545 30 20 DBED N#CCN[C@@H]1CN(C(=O)COCC2CC2)C[C@@H]1n1ccnn1 1129630423 SLMXAUFFHURUNC-OLZOCXBDSA-N 304.354 -0.430 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1cnc2[nH]ncc2c1 1130098663 JXITZBSOCVJYJL-JTQLQIEISA-N 314.349 -0.585 30 20 DBED C#CCN1CC[C@H](c2n[nH]cc2CNC(=O)CNC(=O)NC)C1 1130392869 WDLYORRGFKMZAV-NSHDSACASA-N 318.381 -0.623 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)CCOCC(F)(F)F 1130682220 HUVCAUNIMVCASV-SNVBAGLBSA-N 323.315 -0.201 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2cnn(C)n2)CC[C@H]1C 1132342658 CVZMOYRCGWKUJO-NEPJUHHUSA-N 318.381 -0.853 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)c1ncccn1)NCC(=O)NCC#N 1135723753 DAALMZWKUAZPHV-WDEREUQCSA-N 304.354 -0.397 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CN(CCS(C)(=O)=O)CCCO1 1149409839 VTZXWSGPLNSNKE-RYUDHWBXSA-N 317.411 -0.602 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@@H](c1cccnc1)N(C)C 1152603675 OQVMIPPRPSUXSC-OAHLLOKOSA-N 317.393 -0.861 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)c1nn(C)cc1C 1153266439 RKYXAKDCNPKCBI-CYBMUJFWSA-N 319.409 -0.082 30 20 DBED C[C@@H](C#N)C(=O)NCCCNCCCN1C(=O)NC(C)(C)C1=O 1155860572 OEVOOBBRMCHHIY-NSHDSACASA-N 323.397 -0.038 30 20 DBED C#CCO[C@@H](C)C(=O)NCCCNC[C@@H]1CCc2ncnn21 1157874473 PNTIIISPUGPBQG-STQMWFEESA-N 305.382 -0.100 30 20 DBED C#CCN(C)C[C@H]1CCCCN1C(=O)CN(C)S(C)(=O)=O 1158035855 NCKPUXSEQJOSIN-CYBMUJFWSA-N 315.439 -0.176 30 20 DBED COCC#CCNCCCNC(=O)CCCN1C(=O)CCC1=O 1159312827 PSILCNBDZGMTDA-UHFFFAOYSA-N 323.393 -0.339 30 20 DBED C[C@@H](CCCCNCC#N)NC(=O)CCNS(C)(=O)=O 1171075559 BAOAOCYRMJJAHL-NSHDSACASA-N 304.416 -0.286 30 20 DBED C#CCNC(=O)CN1CCO[C@H]2CCN(C(=O)C3CC3)C[C@@H]21 1176881143 BPPLWRIURLODDC-KBPBESRZSA-N 305.378 -0.553 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)COCCOCC 1177038397 OTXGTKHUJQRZMR-CYBMUJFWSA-N 313.398 -0.727 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)C3(C(=O)NC)CC3)C[C@@H]21 1177113124 PCNANNUVQKSAQD-QWHCGFSZSA-N 305.378 -0.553 30 20 DBED C#CCCN[C@H]1CCN(C(=O)COCc2nncn2C)[C@H]1C 1179825775 PQIVDYAIMAQZPJ-STQMWFEESA-N 305.382 -0.066 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H](C)n2cccn2)C1 1181097120 HSHSUEZLHUBYSZ-QWHCGFSZSA-N 305.382 -0.063 30 20 DBED CC#CCN[C@@H]1CCN(C(=O)[C@@H]2CCc3nnnn3CC2)C1 1185775787 KFQQFLQODPKLGZ-CHWSQXEVSA-N 302.382 -0.161 30 20 DBED COCC#CCN1C[C@@H]2CCN(C(=O)[C@@H]3COCCO3)[C@@H]2C1 1186907242 DJGXZCBNYAWIBU-ZNMIVQPWSA-N 308.378 -0.416 30 20 DBED CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H]2CN(CC#N)C[C@H]21 1187991564 SKMGJQSHWUMVEV-GRYCIOLGSA-N 314.411 -0.630 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@@H]1CCN(C(=O)c2cn(C)cn2)C1 1189650430 DAVDRSMTXQBFHU-CHWSQXEVSA-N 317.393 -0.296 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)CCn2cccn2)C1 1191141551 LCFMOCACHRKHQW-ZIAGYGMSSA-N 308.382 -0.363 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CN(Cc2ncnn2C(C)(C)C)C[C@H]1O 1191854265 KLPFAGJBCKFORK-IJLUTSLNSA-N 320.397 -0.146 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@@H]1CCN(C(=O)c2ccncn2)C1 1192948226 QPSASVTURRQYRN-CHWSQXEVSA-N 315.377 -0.239 30 20 DBED N#CCNC(=O)CN1CCCN(C(=O)CCn2cccn2)CC1 1194868694 BMXSJZAUIVCTAK-UHFFFAOYSA-N 318.381 -0.553 30 20 DBED C#CCNC(=O)CC(=O)N1CCCN(CCC[C@@H](C)O)CC1 1195588447 HWQYVWHZDLVKPE-CQSZACIVSA-N 309.410 -0.179 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H](CCC)C(C)C)C1 1196526186 FJXLBIAJNCMLLN-RBSFLKMASA-N 323.437 -0.031 30 20 DBED C=CCCN1CCCN(C(=O)C[C@H](NC(C)=O)C(N)=O)CC1 1197354292 RJAOJUQPZQPCPR-ZDUSSCGKSA-N 310.398 -0.523 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(CCC[C@H](C)O)C[C@H]1O 1199308456 VTCNYUZPHOPBIE-BFHYXJOUSA-N 300.399 -0.099 30 20 DBED C#CCNC[C@@H]1CN(C(=O)c2cnc(N(C)C)cn2)CCCO1 1200511629 YNHPDIWXFINLCU-CYBMUJFWSA-N 317.393 -0.004 30 20 DBED Cc1cc(C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@H]2C)n[nH]1 1206267137 GDJHZUMQUUZPOH-BXKDBHETSA-N 304.354 -0.592 30 20 DBED N#CCNCC1CCN(C(=O)CC[C@H]2NC(=O)NC2=O)CC1 1206917452 GOHBYCPWRFUNCE-LLVKDONJSA-N 307.354 -0.674 30 20 DBED CC#CCN[C@H]1CCCN(C(=O)CNS(=O)(=O)CC)C1 1208271415 LDAJHHDEGZSJOF-LBPRGKRZSA-N 301.412 -0.470 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)[C@]2(F)CCOC2)[C@H](C)C1 1208405189 NFJNINBLIZZFEN-JMSVASOKSA-N 311.357 -0.699 30 20 DBED C=CCCOCC(=O)N1CCC[C@H](NCc2nnn(C)n2)C1 1211354952 JDJJWHAOYNEHLX-LBPRGKRZSA-N 308.386 -0.117 30 20 DBED CC#CCN1C[C@@H](NC(=O)CN(C)C(=O)C2CC2)[C@H](OC)C1 1212363784 LNCDDANXEHQHMG-ZIAGYGMSSA-N 307.394 -0.307 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)C(C)(C)CN1CCOCC1 1212459149 ZFGPCRJLAUCABN-ZIAGYGMSSA-N 324.425 -0.316 30 20 DBED C#CCCN1C[C@@H](NC(=O)[C@@H](C)CN2CCOCC2)[C@H](OC)C1 1213863526 NADYAHSLKGHKQQ-ARFHVFGLSA-N 323.437 -0.207 30 20 DBED C=CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CNC(=O)N1CCCC1 1217894877 JOBBJGHVAYDKLS-UONOGXRCSA-N 322.409 -0.111 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC[C@@H]2CN(C(=O)c3nc[nH]n3)[C@@H]2C1 1221879871 WURFFGPGJCSMHO-IJLUTSLNSA-N 318.381 -0.358 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)c2cc(CC)[nH]n2)CC1 1226112368 AKTWHVQWCYPVGR-UHFFFAOYSA-N 317.393 -0.084 30 20 DBED C[C@H](C(=O)N(C)C[C@@H]1CCN1CC(=O)NCC#N)n1cccn1 1230850274 ZYDHHVVSBRPLKC-OLZOCXBDSA-N 318.381 -0.383 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)c1cnnn1CC 1234061097 XEFJZGSHHSKKME-LBPRGKRZSA-N 318.381 -0.806 30 20 DBED CC(C)CN1CCN(C(=O)C(=O)N2CCO[C@@H](C#N)C2)CC1 1261302675 QHGFNYTYIHTEDX-ZDUSSCGKSA-N 308.382 -0.462 30 20 DBED C[C@@H](CO)N(C[C@@H](C)O)C(=O)C(=O)Nc1cccc(C#N)n1 1261460786 OTUZEYGKCFDVDQ-VHSXEESVSA-N 306.322 -0.518 30 20 DBED C=CCn1cc(Cn2nnnc2N2CCC3(C2)OCCO3)nn1 1262467363 ONWHRSLFBQHVIR-UHFFFAOYSA-N 318.341 -0.548 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC[C@@H](NC(=O)c2cnn(C)c2N)C1 1265279776 YBJMYRPNSWGKKB-GHMZBOCLSA-N 320.397 -0.503 30 20 DBED CNS(=O)(=O)c1ccc(NC(=O)C(=O)NCCCC#N)cc1 1320914816 CJFUKCPRCNBBCY-UHFFFAOYSA-N 324.362 -0.047 30 20 DBED CCN(C)C(=O)CNC(=O)C(=O)Nc1cc(C)n(CCC#N)n1 1321361186 PQVMDBFTYYKIPT-UHFFFAOYSA-N 320.353 -0.362 30 20 DBED COC(=O)CC[C@H]1NC(=O)N(C2CCN(CC#N)CC2)C1=O 1321951317 YBWIPNHQPZIQBN-LLVKDONJSA-N 308.338 -0.152 30 20 DBED N#CCSCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 1321993311 CKGLCPWVGAFYIV-NSHDSACASA-N 317.436 -0.426 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CC(OCCOCC)C1)[C@H]1CCCO1 1323819178 GMQJXFDGMOOLHY-UONOGXRCSA-N 324.377 -0.453 30 20 DBED CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)C(=O)NCCCC#N)O1 1323987690 KWZTYVKIVNERBO-GHMZBOCLSA-N 310.354 -0.842 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCC(=O)N1CCCC1 1324112567 NRLIUERTERMRRY-OCCSQVGLSA-N 323.393 -0.178 30 20 DBED COC1CCC(NC(=O)C(=O)N2CC[C@](O)(CC#N)C2)CC1 1326128210 PIVXAQPYKKKOIH-KOHJWAIASA-N 309.366 -0.063 30 20 DBED C=CCS(=O)(=O)CCNC[C@@H](O)COC1CCOCC1 1326155269 CMTBCQZRXYDINB-GFCCVEGCSA-N 307.412 -0.267 30 20 DBED C[C@H]1OCC[C@]1(O)CNC(=O)C(=O)Nc1cccc(C#N)n1 1326820181 IDTGIOHVPIJQFB-OTYXRUKQSA-N 304.306 -0.452 30 20 DBED C#CCN1CCC[C@@H](NC(=O)N2CC[C@H](S(N)(=O)=O)C2)C1 1332031879 GJOJSZUGHZILPX-NEPJUHHUSA-N 314.411 -0.844 30 20 DBED C#CC1CCN(C(=O)C(=O)N2CCC(CC(N)=O)CC2)CC1 1332383591 GVTYQPGQIIHYCZ-UHFFFAOYSA-N 305.378 -0.028 30 20 DBED C[C@@H](CN1CCCC1=O)NC(=O)C(=O)N1CCC[C@H](C#N)C1 1332658039 SUHXFWMSRQQQQQ-NWDGAFQWSA-N 306.366 -0.124 30 20 DBED CCc1nc(NC(=O)C(=O)NCC(=O)NCC#N)sc1C 1342536444 APSQKYCQZCHEFM-UHFFFAOYSA-N 309.351 -0.292 30 20 DBED C#CC1CCN(C(=O)C(=O)N2CC[C@](CO)(COC)C2)CC1 1345979882 LPWVQYNNUMDYPO-INIZCTEOSA-N 308.378 -0.284 30 20 DBED C#CCOCCC(=O)N[C@H]1CCN(c2cc(=O)n(C)c(O)n2)C1 1347465085 DGRPDDXXAABDJB-NSHDSACASA-N 320.349 -0.779 30 20 DBED C#CCOCCN(C)C(=O)[C@H]1CCCN1C(=O)CNC(C)=O 1348890251 DNDZZQUJNJWINJ-CYBMUJFWSA-N 309.366 -0.778 30 20 DBED C#Cc1ccc(C(=O)N(C)Cc2nnc3n2CCNC3=O)cn1 1349221708 GKWGKQQFYUTWKR-UHFFFAOYSA-N 310.317 -0.330 30 20 DBED C[C@@H]1CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)CC[S@@]1=O 1362648783 VGVAVDDBNRGHFB-CLTRCRFRSA-N 324.362 -0.810 30 20 DBED N#CC[C@@H]1CCCN(C(=O)Cn2cc(C#N)c(O)nc2=O)C1 1363481182 OISZVCUTBIWTHA-JTQLQIEISA-N 301.306 -0.027 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](C)NC(=O)CCn1cnccc1=O 1373075772 UCHIFYABUPRFOR-WDEREUQCSA-N 305.338 -0.586 30 20 DBED C[C@H](C#N)C(=O)N(C)CCN(C)C(=O)c1ccc2nnnn2c1 1376339551 XMAYSSYXBYIZFL-SNVBAGLBSA-N 315.337 -0.186 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNCC(=O)N1CCCCCC1 1379183415 HJBHFUWIMGQJCL-OLZOCXBDSA-N 310.398 -0.385 30 20 DBED CN(C[C@@H](O)CN[C@H]1CCN(C)C1=O)C(=O)c1cc(C#N)c[nH]1 1379772075 XCXISQJRLFNZHF-RYUDHWBXSA-N 319.365 -0.860 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)CCCn2cccn2)C1 1384227440 SPASISYLSJPIIY-XQQFMLRXSA-N 319.365 -0.489 30 20 DBED Cc1noc(CCC(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2O)n1 1384732517 MMJBMQSBADMMBI-JMJZKYOTSA-N 321.337 -0.842 30 20 DBED CNC(=O)NCC(=O)NCC1CCN(C(=O)[C@H](C)C#N)CC1 1385478368 ZLXRLWIVDOHXKY-SNVBAGLBSA-N 309.370 -0.570 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H](O)CNC(=O)c2ccc[nH]2)c1 1389064047 SLXZQBJGNPZIHL-SNVBAGLBSA-N 301.306 -0.265 30 20 DBED CCC[C@@H](NC(N)=O)C(=O)N(C)CCN(C)C(=O)[C@@H](C)C#N 1391872249 FXODCQJXIFYYQQ-WDEREUQCSA-N 311.386 -0.100 30 20 DBED COCCn1cc(C(=O)N[C@@H](C)CNC(=O)[C@@H](C)C#N)cn1 1393002842 KESAYDFJFGEAJN-QWRGUYRKSA-N 307.354 -0.076 30 20 DBED Cc1ncncc1C(=O)NC[C@@]1(O)CCN(C(=O)[C@H](C)C#N)C1 1394634159 YRCWUDOLPGQXLW-BMIGLBTASA-N 317.349 -0.362 30 20 DBED C[C@H](CN(C)C(=O)c1cc(C#N)c[nH]1)NC(=O)[C@H]1C[C@H]1C(N)=O 1395547932 BJGSPBITQMDYND-IEBDPFPHSA-N 317.349 -0.416 30 20 DBED COCCN(CCNC(=O)[C@@H](C)C#N)C(=O)c1ccnnc1 1405758349 HIQAVGNUTYDWDQ-NSHDSACASA-N 305.338 -0.159 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]1CN(C)C(=O)CCc1cnn[nH]1 1406539346 VRAXNODFFZFGST-ZYHUDNBSSA-N 304.354 -0.044 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)c2cnc3[nH]nnc3c2)C1 1414967839 LQTLEBZPYXOWEB-SZEHBUNVSA-N 313.321 -0.110 30 20 DBED CNC(=O)Cc1noc(CN(C)CCN(C)C(=O)[C@@H](C)C#N)n1 1422152900 PUJWNKFSFTWXED-JTQLQIEISA-N 322.369 -0.592 30 20 DBED C[C@H](CCNC(=O)c1cn(C)nn1)NC(=O)c1cc(C#N)c[nH]1 1429020560 YVUNZVBWZZKSJW-SECBINFHSA-N 315.337 -0.047 30 20 DBED CC(C)n1cc(C(=O)NC[C@H](O)CNC(=O)[C@H](C)C#N)cn1 1431562124 GVYQSOUEWUDMAK-ZYHUDNBSSA-N 307.354 -0.169 30 20 DBED C[C@H](C#N)C(=O)N(C)CCN1CCN(CC(=O)N(C)C)CC1 1437962796 XEEHVAWLHYQAPW-CYBMUJFWSA-N 309.414 -0.690 30 20 DBED C[C@H](C#N)C(=O)NCCN(C)C(=O)Cc1nc2ncccn2n1 1449187478 JOVQZYQWZZOEPO-SNVBAGLBSA-N 315.337 -0.599 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)Cn2cnnn2)CCCC1 1451153640 KEHDPAPCNJOKRI-SNVBAGLBSA-N 305.342 -0.622 30 20 DBED CCn1nc(C)c(CNC(=O)Cn2cc(C#N)c(O)nc2=O)n1 1452030578 OJNQBIXTGSFAGC-UHFFFAOYSA-N 317.309 -0.943 30 20 DBED C[C@@]1(CO)C[C@H](O)CN1Cc1cc(O)n2ncc(C#N)c2n1 1460469238 SPOQYQNGUJATHH-FZMZJTMJSA-N 303.322 -0.376 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 1480107902 NDNFNQUQBJZNHZ-LBPRGKRZSA-N 301.350 -0.007 30 20 DBED CCc1ncoc1C(=O)N(C)C[C@H](O)CNC(=O)[C@H](C)C#N 1511617653 XBVBSLFQRYNSED-NXEZZACHSA-N 308.338 -0.054 30 20 DBED C[C@H](C#N)C(=O)N1CC(CNC(=O)C(C)(C)S(C)(=O)=O)C1 1530916198 JIRWCQMLISUIAF-SECBINFHSA-N 315.395 -0.456 30 20 DBED CC(C)n1ccc(C(=O)NC[C@H](O)CNC(=O)[C@H](C)C#N)n1 1533320496 LICNSVRPYFRYAV-GHMZBOCLSA-N 307.354 -0.169 30 20 DBED N#Cc1cn(CC(=O)NCC2(C(=O)O)CCC2)c(=O)nc1O 1574248725 NDWHDDSAZOPXAL-UHFFFAOYSA-N 306.278 -0.808 30 20 DBED N#Cc1ccc(NCC(=O)N[C@@H]2CN(C(=O)O)C[C@@H]2CO)nc1 1574249597 KASLDUKIYJOREA-GHMZBOCLSA-N 319.321 -0.548 30 20 DBED N#CCSCC(=O)NCC1[C@@H]2CN(Cc3cnn[nH]3)C[C@@H]12 1577710196 RQQBHBMUZOQFQG-RYUDHWBXSA-N 306.395 -0.145 30 20 DBED C=CCOC[C@@H](NC(=O)Cn1ccc(C(=O)O)n1)C(=O)OC 1588856097 CGXDTUFMXVKWTM-SNVBAGLBSA-N 311.294 -0.558 30 20 DBED C[C@H](C(=O)N(C)c1ccc(C#N)nc1)n1cnc(-c2nn[nH]n2)n1 1588943372 LLVDHWSYQGZXFR-MRVPVSSYSA-N 324.308 -0.051 30 20 DBED C[C@H]1CN(C(=O)[C@H](C)n2cnc(C#N)n2)CCN1CCC(=O)O 1594462166 DVUKTHSVKYAXFA-QWRGUYRKSA-N 320.353 -0.282 30 20 DBED Cc1nc(C(=O)N2CC(=O)N(C)C[C@@H]2C(=O)O)ccc1C#N 1600682530 GDHSPJQEPCGRGA-LLVKDONJSA-N 302.290 -0.371 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)Nc1cnn(CC(=O)O)c1C 1602715645 LVNDCTFDDIRHMA-UHFFFAOYSA-N 316.317 -0.300 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1CCN(C)C[C@@H](C(=O)O)C1 1602901966 IKVNGVHRMLUQIJ-WDEREUQCSA-N 312.370 -0.665 30 20 DBED Cc1nn(C)c(N2CCN(C[C@](C)(O)C(=O)O)CC2)c1C#N 1608002117 SKULNMDZUIMPIS-AWEZNQCLSA-N 307.354 -0.442 30 20 DBED C#CC[C@@H](NC(=O)c1cccc(S(=O)(=O)NC)c1)C(=O)O 1609078923 OVXOACZITCXALB-LLVKDONJSA-N 310.331 -0.199 30 20 DBED C=CCCO[C@H](C)C(=O)N[C@H]1C[C@@H](NCC(=O)NC(N)=O)C1 1752715374 VZCHLGKTLDEEJR-MXWKQRLJSA-N 312.370 -0.601 30 20 DBED Cc1ocnc1C(=O)N(C)[C@H]1CCN(CC(=O)NCC#N)C1 1753429319 FJGLFTSYFAOEJM-NSHDSACASA-N 305.338 -0.231 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@H](C)CNC(=O)c1[nH]cnc1C 1753646970 BKAGZZDZYUNSFP-CMPLNLGQSA-N 305.382 -0.188 30 20 DBED C[C@H](CN(C)CC(=O)NCC#N)NC(=O)C1CCN(C)CC1 1754322627 HFMKODYZEYGOGD-GFCCVEGCSA-N 309.414 -0.596 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(N[C@@H](C)c2nnnn2C)CC1 1754513036 FJNSAKPBMQTRRR-GWCFXTLKSA-N 308.386 -0.163 30 20 DBED N#CCN1CC[C@](O)(CNC(=O)Cn2ccc(C(F)F)n2)C1 1754754892 RMCRLKLUZHMKOQ-ZDUSSCGKSA-N 313.308 -0.103 30 20 DBED C=CCC[C@@H](C)N1CC(O)(CNC(=O)[C@H]2CC(=O)N(C)C2)C1 1754768202 FHIGKASXZZDQBR-OLZOCXBDSA-N 309.410 -0.018 30 20 DBED C#CCNC(=O)CN[C@]1(CO)CCCN(C(=O)/C(C)=C\C)C1 1755084823 UKFDEEMWNRXANS-AKOROQJMSA-N 307.394 -0.355 30 20 DBED C#CCN1CC[C@H](NC(=O)CCCS(N)(=O)=O)C(C)(C)C1 1755141518 IMQCPGGQOHRJIC-LBPRGKRZSA-N 315.439 -0.095 30 20 DBED C=CCNC(=O)[C@H](C)N[C@H](CO)CNC(=O)c1cc(C)[nH]n1 1755624203 OBDIUYXIQVBEBO-QWRGUYRKSA-N 309.370 -0.911 30 20 DBED C#Cc1cncc(C(=O)N(C)C[C@H](C)NC(=O)CNC(C)=O)c1 1756492073 PQHVAIYAXZGPPB-NSHDSACASA-N 316.361 -0.224 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@H](O)[C@H](NC(=O)c2c[nH]cc2C)C1 1757175547 SSVWHDUIRNXLPH-YUTCNCBUSA-N 319.361 -0.337 30 20 DBED C=CCCC(=O)N1CC[C@H]1CN(C)C(=O)C[C@@H]1NC(=O)NC1=O 1757295161 NUEZWXYENFAOAM-QWRGUYRKSA-N 322.365 -0.390 30 20 DBED C[C@@]1(C(=O)N[C@H]2C[C@@H](CNC(=O)C#CC3CC3)C2)CNC(=O)C1 1757319346 VIXWFMMGAMGYJQ-AHIWAGSCSA-N 317.389 -0.063 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(C(=O)c2coc(C)n2)C[C@H]1O 1757562779 JNIXAQDFJBWNLT-DGCLKSJQSA-N 323.349 -0.123 30 20 DBED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)/C=C(/C)C(=O)O)C2)C1 1785417339 YYUMXQQXQXPFOJ-MEODZPNASA-N 306.318 -0.520 30 20 DBED CNC(=O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC#N)C2 1793284054 SEMRQFMQDUWDSW-QHBPRCKVSA-N 322.365 -0.984 30 20 DBED C#CC(=O)N[C@@H]1CCc2nc(NC(=O)CNC(N)=O)sc2C1 1828328874 KIWXHSKOUMQOSY-SSDOTTSWSA-N 321.362 -0.643 30 20 DBED C#CCN(CC)S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 57022500 HMOWSWOMPSXNMT-UHFFFAOYSA-N 302.377 -0.022 30 20 DBED C#CCN1CCN(C(=O)CO/N=C(/N)Cc2cccnc2)CC1 92915488 AYSKSOXGTDJJLY-UHFFFAOYSA-N 315.377 -0.310 30 20 DBED CC[C@H]1CN(/C(=N\C)NCCN2C(=O)CNC2=O)CCS1 261799790 GVQPCDYFDMRRFL-JTQLQIEISA-N 313.427 -0.059 30 20 DBED Cc1nccnc1CCNc1c(C#N)c(=O)n(C)c(=O)n1C 292712612 GXAMEMQXWWANEV-UHFFFAOYSA-N 300.322 -0.291 30 20 DBED CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)CCCC#N)C2 293252798 KXPUBPVQIYCEBY-UHFFFAOYSA-N 320.353 -0.831 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@]2(O)CCC[C@@H]2C)C1=O 294079894 IGRSJGAAUPWNPO-BONVTDFDSA-N 323.349 -0.370 30 20 DBED O/C(=N/CCn1cncn1)N1CCN(C[C@@H]2CCOC2)CC1 329865244 ACVFGPBPZIEVQU-ZDUSSCGKSA-N 308.386 -0.154 30 20 DBED CCN(CCC/N=C(/O)N1CCO[C@@H](C#N)C1)S(C)(=O)=O 330668914 ZOBOSZZIFBYIIM-NSHDSACASA-N 318.399 -0.204 30 20 DBED O=C1NCCC[C@@H]1/N=C(/O)N[C@@H]1CCN(CC(F)(F)F)C1=O 330744267 RSZFWUATMURKED-JGVFFNPUSA-N 322.287 -0.068 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCN(C(C)=O)C2)CC1 331135013 VAOJXSYTVJZQMN-CQSZACIVSA-N 322.409 -0.699 30 20 DBED CCN(CCC#N)S(=O)(=O)N(C)[C@H]1CCS(=O)(=O)C1 336897058 OAVREZXLSZVEEE-JTQLQIEISA-N 309.413 -0.414 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)NC[C@H](CO)[C@H]1CCOC1 337164650 YAQUDIXVRGJADS-GRYCIOLGSA-N 305.400 -0.443 30 20 DBED COC(=O)C[C@@H]1CN(S(=O)(=O)N(C)[C@H](C)CC#N)CCO1 337902920 RTQKWHTXDNMSGT-GHMZBOCLSA-N 319.383 -0.271 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)NC[C@@H](O)CN1CCCCC1 337972689 USRRCSKUNPLHNQ-CHWSQXEVSA-N 318.443 -0.098 30 20 DBED CC(=O)NCC(=O)N1C[C@@H](C#N)[C@]2(C1)C(=O)Nc1ccccc12 338361346 YXQRPDNCDLVCAI-BZNIZROVSA-N 312.329 -0.005 30 20 DBED COCC1(C#N)CCN(CC(=O)N[C@@H](C)C(=O)N(C)C)CC1 342007618 CRKISIDHTNKCRV-LBPRGKRZSA-N 310.398 -0.169 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CC[C@H]2C(=O)OC)CC1 349445717 BOYVGXDCOGFGRV-CHWSQXEVSA-N 323.393 -0.368 30 20 DBED N#CC1(N(C2CC2)S(=O)(=O)CCCS(N)(=O)=O)CCC1 349447042 IGXIGXXDWTXMKH-UHFFFAOYSA-N 321.424 -0.095 30 20 DBED C=C[C@H](CO)NC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1cnn(C)c1C 356860081 WYTCAGHYGNOMQM-JTNHKYCSSA-N 306.366 -0.089 30 20 DBED C=CCN(C(=O)C[C@@H]1CNCCO1)[C@@H]1CCS(=O)(=O)C1 430282150 DUZZVPSMUAYHER-VXGBXAGGSA-N 302.396 -0.433 30 20 DBED CCN(CCC#N)S(=O)(=O)NCCN1C[C@@H]2CC[C@H](C1)O2 451901647 ZRQBLKOBSJSZPW-BETUJISGSA-N 316.427 -0.080 30 20 DBED COC(=O)[C@H]1CNC(=O)CN1Cc1c(C#N)cccc1[N+](=O)[O-] 459446011 SNMSMDBEVUFZEG-GFCCVEGCSA-N 318.289 -0.060 30 20 DBED C#CCNS(=O)(=O)c1cccc(C(=O)NCCC(N)=O)c1 490691852 XSORRSQLFPWBNG-UHFFFAOYSA-N 309.347 -0.797 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2cnc(C)s2)CC1 491070490 CNBCVSWJOQFHSX-UHFFFAOYSA-N 306.391 -0.041 30 20 DBED Cc1cccc(S(=O)(=O)N[C@@]2(C(N)=O)CCOC2)c1C#N 573137199 GPYLGYUGAZOTNH-ZDUSSCGKSA-N 309.347 -0.211 30 20 DBED N#Cc1cc(NCCS(=O)(=O)N2CCSCC2)ncn1 578829551 OKESQPGSMNMYRG-UHFFFAOYSA-N 313.408 0.139 30 20 DBED N#C[C@H]1COCCN1C(=O)CNS(=O)(=O)c1ccccc1N 585681891 YWIJTXWVDXJLBB-JTQLQIEISA-N 324.362 -0.702 30 20 DBED CN(C)S(=O)(=O)N(CC#N)Cc1nnn(C(C)(C)C)n1 594490748 IEPYLHWAAXOLOK-UHFFFAOYSA-N 301.376 -0.440 30 20 DBED C[C@@H]1C[C@@H](C)N(c2c(C#N)c(=O)n(C)c(=O)n2C)C[C@@H]1CN 596014890 VWXRBNKTXXVUPD-MXWKQRLJSA-N 305.382 -0.235 30 20 DBED COCCNC(=O)CN1CCN(c2c(C#N)cnn2C)CC1 596068020 ROMVRTDOADXYTA-UHFFFAOYSA-N 306.370 -0.824 30 20 DBED COC1CCN(C(=O)C(=O)N2CCN(CCC#N)CC2)CC1 601422007 MKXCJBHERBZEBH-UHFFFAOYSA-N 308.382 -0.318 30 20 DBED CNCC1CCN(C(=O)C(=O)N2CCN(CCC#N)CC2)CC1 601582228 LTIVSJCHGWLMRQ-UHFFFAOYSA-N 321.425 -0.498 30 20 DBED C[C@H](CCC#N)CN1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 602625676 GHKZLQCSAZGSCI-GFCCVEGCSA-N 320.397 -0.112 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)NCC(=O)C2CCCC2)CCO1 625546976 WMDDMQIRVBBPGM-LLVKDONJSA-N 301.368 -0.196 30 20 DBED C=CCCn1cc(CNS(=O)(=O)[C@@H](C)C(=O)N(C)C)nn1 632635852 PINGEYVHUIRWOK-JTQLQIEISA-N 315.399 -0.250 30 20 DBED C=CCN1CC[C@H](N(C)S(=O)(=O)C[C@@H](COC)OC)C1=O 641475209 DZODSTPJMHRAPB-NEPJUHHUSA-N 320.411 -0.304 30 20 DBED C=C(C)COCCNC(=O)[C@H]1CCCN1C(=O)CNC(C)=O 675577915 UOKSPBMMCNVJKT-CYBMUJFWSA-N 311.382 -0.178 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](CN(C)C)C(C)C)C1=O 733167929 PKVCKSFHVDWIDN-NSHDSACASA-N 324.381 -0.334 30 20 DBED N#Cc1cccnc1NCCNC(=O)C1=NN2CCCN=C2N1 748043418 QCOGLXHZMNFJGZ-UHFFFAOYSA-N 312.337 -0.540 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@@H](O)c1cnn(C)c1 800062792 VSFRFANTUGUWBH-CMPLNLGQSA-N 315.399 -0.231 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@H](C)CN1CCCC1=O)[C@H]1CCCO1 803119448 AOPKNDZSPVCFLH-FRRDWIJNSA-N 321.377 -0.590 30 20 DBED C#C[C@@H](NC(=O)C(=O)NCc1cc(CC)[nH]n1)[C@@H]1CCCO1 805852172 WGZWDCAIFYRBIE-OLZOCXBDSA-N 304.350 -0.115 30 20 DBED C=CCCn1cc(C(=O)NS(=O)(=O)CC(=O)OCC)nn1 820470039 VXVHXLDEUNUVPU-UHFFFAOYSA-N 316.339 -0.523 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](CC)SC)CC1 831565625 WSMXCWUPEPBMLQ-NSHDSACASA-N 319.452 -0.260 30 20 DBED C#CCn1cc(CNC(=O)[C@](C)(O)Cn2ccccc2=O)cn1 834614635 LJSQVKVAKAHLLO-MRXNPFEDSA-N 314.345 -0.255 30 20 DBED C#CCN(C)CCCNC(=O)NCCS(=O)(=O)C1CC1 840378587 AGGMVZLFUHOHEQ-UHFFFAOYSA-N 301.412 -0.182 30 20 DBED C#CC[C@@H](CCOC)NC(=O)N1CCN(CCOC)C(=O)C1 859021119 ZLQAABJPLYGLGU-ZDUSSCGKSA-N 311.382 -0.085 30 20 DBED C#C[C@H](C)NC(=O)[C@@]1(C(=O)N[C@H](C)C#C)C[C@@H]1S(C)(=O)=O 867501216 DRATVEYNYWUERZ-BBGACYKPSA-N 310.375 -0.935 30 20 DBED CN1C(=O)[C@@H]2CN(CC(=O)N[C@@](C)(C#N)C3CC3)C[C@@H]2C1=O 879532113 PWSMZJKDVXEIMB-RWSFTLGLSA-N 304.350 -0.659 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CCC[C@H](N)C2)C1=O 903756937 UAGSWSGMDLMXSK-RYUDHWBXSA-N 308.382 -0.819 30 20 DBED NC(=O)c1cc(C(=O)N[C@@H]2CCN(C(=O)C#CC3CC3)C2)c[nH]1 940554380 BYRUVBMNSDVNAZ-GFCCVEGCSA-N 314.345 -0.142 30 20 DBED C[C@@H](C(=O)N[C@@H]1CCN(C(=O)C#CC2CC2)C1)N1CCOCC1 941478053 ZDTBWEHNDVOXKT-DZGCQCFKSA-N 319.405 -0.162 30 20 DBED N#Cc1cc(C(=O)N[C@H]2[C@H]3C[C@H]2N(C(=O)c2cnon2)C3)c[nH]1 946958895 MIQPGDYBGXSLBK-AXTRIDKLSA-N 312.289 -0.088 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CNC(=O)[C@H]2CN(C)CCO2)CC1 949391249 UYJIMHZIGHELDW-GXTWGEPZSA-N 322.409 -0.169 30 20 DBED C#CCCN1CCN(C(=O)Cn2ncn3nccc3c2=O)CC1 951166862 SYLKTWRCWFCCTI-UHFFFAOYSA-N 314.349 -0.942 30 20 DBED C#Cc1ccc(C(=O)N2CC(N(C)C(=O)c3cn(C)nn3)C2)nc1 954207565 NRVDRACNDMAQOV-UHFFFAOYSA-N 324.344 -0.212 30 20 DBED CN(C(=O)C1CC(=O)NC(=O)C1)C1CN(C(=O)C#CC2CC2)C1 954776329 UURUJVNBANREPX-UHFFFAOYSA-N 317.345 -0.878 30 20 DBED CC(=O)N1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@H](C)C#N)C1 954919133 JTXIIQNQIWELBP-GWCFXTLKSA-N 306.366 -0.174 30 20 DBED COCc1nn(C)cc1C(=O)NC[C@@H]1CN(CC#N)C[C@H]1O 958182845 HLHTZGHNHMTYRJ-ZWNOBZJWSA-N 307.354 -0.887 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](NC(=O)c2cnc(O)n2C)[C@H](C)C1 958382954 WBWAHIPEDPJBND-IVZWLZJFSA-N 305.338 -0.138 30 20 DBED CC#CCN1C[C@@H](O)[C@H](CNC(=O)c2ccc(=O)n(CC)n2)C1 958493371 GHAJAOALGRVHPN-TZMCWYRMSA-N 318.377 -0.691 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](CNC(=O)c2cn(C)c(=O)n2C)C1 958736292 MGLHTIDAFXMFSD-DGCLKSJQSA-N 308.382 -0.678 30 20 DBED Cc1nnc(CC(=O)N(C)[C@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)o1 958838915 MVBCORGGLIUOJN-LSJOCFKGSA-N 321.337 -0.890 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H](NC(=O)Cn2ncnn2)CC1 964929546 WCYKCFOFDZLEPE-GHMZBOCLSA-N 305.342 -0.670 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H](NC(=O)C(N)=O)CC1 965138695 MNBOLOCSQZWUHR-AVGNSLFASA-N 323.393 -0.050 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CN(C(=O)c3cnn(C)n3)CCO2)C1 965419668 DMSXDGIUNBFGEH-JTQLQIEISA-N 318.337 -0.972 30 20 DBED CCN(C(=O)C1CC(=O)NC(=O)C1)C1CN(C(=O)[C@@H](C)C#N)C1 968147042 VKAKHUPWEHSZCV-VIFPVBQESA-N 320.349 -0.742 30 20 DBED CC#CCN1CC([C@@H](C)NC(=O)c2cnc(O)n(C)c2=O)C1 970262373 RYAKZRGUVJJTKE-SNVBAGLBSA-N 304.350 -0.441 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@]2(CN(Cc3nc(O)n[nH]3)CCO2)C1 972299316 ZYEXBQYIICNXBZ-HZMBPMFUSA-N 320.353 -0.527 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)c3cc(=O)n(C)o3)C2)C1 972350829 ALGOMAOKFJJTDV-HNNXBMFYSA-N 305.334 -0.472 30 20 DBED N#CCN1CCO[C@]2(CCN(C(=O)C[C@H]3CCCC(=O)N3)C2)C1 972458802 NRRUMFRAXXPWDL-CZUORRHYSA-N 320.393 -0.128 30 20 DBED C=CCN1CCCC2(C1)CN(C(=O)[C@@H]1CC(=O)NC(=O)N1)C2 982042250 JMXHVLSRVOSLIR-NSHDSACASA-N 306.366 -0.305 30 20 DBED O=C(NC[C@H]1CCN(C(=O)C#CC2CC2)C1)C1CS(=O)(=O)C1 982745286 MQVICTLXMYPNHS-GFCCVEGCSA-N 324.402 -0.591 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)C(N)=O)[C@@H]2CC)cn1 985211857 KZVOMAIPYASRDV-QWHCGFSZSA-N 314.345 -0.343 30 20 DBED C#CCN(C)C1CCN(C(=O)[C@@H]2Cc3cncn3C(=O)N2)CC1 985549912 LDQRRIXKUNMPRR-AWEZNQCLSA-N 315.377 -0.079 30 20 DBED C#CCN[C@H]1CN(C(=O)[C@H]2COCCN2C(C)=O)CC1(C)C 996640748 BOTVGBSINGCMMH-KGLIPLIRSA-N 307.394 -0.307 30 20 DBED C=CC(C)(C)C(=O)N1CC(NC(=O)c2cnc(O)n(C)c2=O)C1 997360558 ILAKRCXRCQTVJL-UHFFFAOYSA-N 320.349 -0.361 30 20 DBED CC(C)N1CCO[C@@H](C(=O)NC2CN(C(=O)[C@@H](C)C#N)C2)C1 998130900 BTBLIXOXYQXFOF-WCQYABFASA-N 308.382 -0.418 30 20 DBED C#CCN1CC=C(CNC(=O)[C@@H]2CC(=O)N(CCOC)C2)CC1 1000745623 FPSXCNFXCVPEPZ-OAHLLOKOSA-N 319.405 -0.137 30 20 DBED CC(=O)N1CCOC[C@@H]1C(=O)NCC1=CCN(CC#N)CC1 1001460941 DVGBADJIKMLZRT-CQSZACIVSA-N 306.366 -0.494 30 20 DBED CC(=O)N1CCC(=O)NCCN(C(=O)c2ccc(C#N)[nH]2)CC1 1001696797 IVJNZBXKZKSXJQ-UHFFFAOYSA-N 317.349 -0.303 30 20 DBED C[C@H](C#N)C(=O)N1CCC(=O)NCCN(C(=O)C(F)F)CC1 1001778415 WDJBRIZEDAVQGP-SECBINFHSA-N 316.308 -0.412 30 20 DBED C[C@H]1CCN(C(=O)C(=O)N2CCN(C(=O)[C@@H](C)C#N)CC2)C1 1012331698 XPZHFTGWLMDVKF-RYUDHWBXSA-N 306.366 -0.315 30 20 DBED CN1CCO[C@H](C(=O)NC2[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]23)C1 1012901069 AHJQIKOTAOURQP-MCIONIFRSA-N 317.389 -0.697 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2C(NC(=O)c3cn(C)c(=O)n3C)[C@@H]2C1 1013287414 YASVZVJUGYERKE-OPRDCNLKSA-N 317.349 -0.930 30 20 DBED C=C1CC(C)(C(=O)NC2[C@@H]3CN(C(=O)[C@@H]4CNC(=O)N4)C[C@@H]23)C1 1013746744 SPNLEUHUMGMTOR-MXWKQRLJSA-N 318.377 -0.403 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCN(CCn3cncn3)C2)nn1 1015810467 JLHUARFSWHMQAF-GFCCVEGCSA-N 316.369 -0.440 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCN([C@@H](C)C(=O)NC)C2)nn1 1015811118 ZTKKZGCCRUWXJS-WDEREUQCSA-N 306.370 -0.597 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCN(Cc3cnnn3C)C2)nn1 1015811511 HSQGMPIXRRQVCE-LLVKDONJSA-N 316.369 -0.403 30 20 DBED C[C@@H](C#N)C(=O)N1CCCO[C@H](CNC(=O)c2ccnn2C)C1 1019547382 ZMSVZKWDURFCBY-NWDGAFQWSA-N 319.365 -0.073 30 20 DBED Cn1nnc(CN[C@H]2C[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)n1 1021984096 MNNRUBDYQQEARN-AOOOYVTPSA-N 300.326 -0.540 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2CCCN(CC(N)=O)C2)nn1 1023637425 LBNXBKNLNKLFLF-NSHDSACASA-N 306.370 -0.609 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)CC2CCN(C)CC2)C1 1023692044 XPHQCBOHNSTSMR-IACUBPJLSA-N 322.409 -0.434 30 20 DBED C#CCN1CCCC[C@@H]1CNC(=O)[C@H]1CN(C(C)=O)CCO1 1024785782 PKKIEMDKMHYHPQ-HUUCEWRRSA-N 307.394 -0.162 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H]2C[C@H]3CC[C@H]2N(C(=O)C(N)=O)C3)c1 1026054450 BFKHZNDJOBOUBB-UBHAPETDSA-N 315.333 -0.519 30 20 DBED C#CCN[C@@H]1CC[C@@H]2CN(C(=O)c3cnc(O)n(C)c3=O)C[C@H]21 1026326928 UTGHEKGEYMDFGW-RAIGVLPGSA-N 316.361 -0.441 30 20 DBED C#CCN1CCC(C(=O)NC[C@@H]2CCN([C@H](C)C(N)=O)C2)CC1 1029002955 FFYVTEJUVPFYSI-KGLIPLIRSA-N 320.437 -0.357 30 20 DBED N#Cc1c[nH]c(C(=O)NC2CN(Cc3nnnn3C3CC3)C2)c1 1030196080 JRXHBYGIWNHVRQ-UHFFFAOYSA-N 312.337 -0.178 30 20 DBED CNC(=O)[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]c(C#N)c1 1032364624 NFTSCGVJSXAKFH-XDTLVQLUSA-N 301.350 -0.080 30 20 DBED C=CCN1CCO[C@@H](CNC(=O)c2cnc(O)n(C)c2=O)C1 1035466924 KNYHZSPCVPUXBS-JTQLQIEISA-N 308.338 -0.898 30 20 DBED C#CCN1CC[C@H]1CNC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 1038539957 GFGHJDBJDQNRGZ-XHSDSOJGSA-N 321.421 -0.310 30 20 DBED CC#CCN1CC[C@@H]1CNC(=O)[C@H]1CCc2nnnn2CC1 1038718782 FYGAHNCJAVAIGS-QWHCGFSZSA-N 302.382 -0.161 30 20 DBED C=CCCn1cc(C(=O)NC[C@@H]2CCN2CC(=O)NC)nn1 1038790180 ORQBUTFROMNTCV-NSHDSACASA-N 306.370 -0.596 30 20 DBED C=CCCCC(=O)N1CC[C@@](O)(CNC(=O)c2ncn(C)n2)C1 1039619123 ATLKVOXMQAHQML-OAHLLOKOSA-N 321.381 -0.135 30 20 DBED C#CCOCCC(=O)NC[C@]1(O)CCN(C(=O)[C@H](C)OC)C1 1039719578 XELZZBGBQVALAC-SWLSCSKDSA-N 312.366 -0.859 30 20 DBED N#Cc1cnc(N2C[C@@H]3CCN(C(=O)Cn4cncn4)[C@@H]3C2)cn1 1040623704 JCRMAOMDKLUEPB-WCQYABFASA-N 324.348 -0.323 30 20 DBED N#Cc1cncc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCOC3)C2)n1 1040938563 IKZCCYFTNOFVSU-YUSALJHKSA-N 303.322 -0.950 30 20 DBED Cc1nc(NC[C@H]2CN(C(=O)C(N)=O)CCCO2)ccc1C#N 1041526398 XOHLMHHPEXDXBF-LBPRGKRZSA-N 317.349 -0.224 30 20 DBED C[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1NC(=O)[C@H]1COCCO1 1041786928 KTDMYPMJEQUVMM-RAIGVLPGSA-N 317.349 -0.295 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)c2ncoc2C)C1 1041818633 RMRWLPFJAUSZAI-LLVKDONJSA-N 321.333 -0.676 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)[C@@H](C)COC)C1 1042032173 VXPFNBFATVSOIM-NSHDSACASA-N 300.355 -0.839 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)[C@H](C)CSC)C1 1042082612 KFNZQLNOPRLZEY-LLVKDONJSA-N 316.423 -0.122 30 20 DBED C#CCN1CC[C@H]2CCN(C(=O)CCn3ncn(C)c3=O)C[C@@H]21 1042162993 NDJGQQIWSQICJP-KBPBESRZSA-N 317.393 -0.472 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)CNC(=O)CCC)C1 1042802335 IIAFOGMIULIQEV-UHFFFAOYSA-N 323.393 -0.604 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)c2cc(F)c[nH]2)C1 1043042970 ZVZVIMVPPQLGHW-SNVBAGLBSA-N 323.324 -0.505 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)Cc2ccc(F)cn2)C1 1043606276 FELLEUFQZQGIBD-JTQLQIEISA-N 320.324 -0.388 30 20 DBED Cc1ccncc1CC(=O)NCC1(O)CN(C(=O)[C@H](C)C#N)C1 1043651221 FRGYONLUNNUSCL-GFCCVEGCSA-N 316.361 -0.218 30 20 DBED Cc1nn(C)c(F)c1C(=O)NCC1(O)CN(C(=O)[C@@H](C)C#N)C1 1044695185 VOUUOBUROWUKGJ-QMMMGPOBSA-N 323.328 -0.670 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)C2CC(F)(F)C2)C1 1045540562 IQZHRXXXTCODTG-MRVPVSSYSA-N 301.293 -0.119 30 20 DBED Cc1ccc(CC(=O)N2CC(O)(CNC(=O)[C@@H](C)C#N)C2)cn1 1045555524 SMGKMVYTDIXPOF-NSHDSACASA-N 316.361 -0.218 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)c2cnc3n2CCC3)C1 1045565406 WHSKFOUBWCGLCQ-JTQLQIEISA-N 317.349 -0.708 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@]23CCOC3)C1 1046574734 BPGZBDSCWDZVPO-WFASDCNBSA-N 324.377 -0.695 30 20 DBED C=C(C)CN1C[C@H](O)[C@@H](N(C)C(=O)[C@]2(C)CCC(=O)NC2)C1 1047496839 KXLUMMNMSGSYFC-HEHGZKQESA-N 309.410 -0.018 30 20 DBED C=CCCN1C[C@H](O)[C@@H](N(C)C(=O)Cn2nnnc2C(C)C)C1 1047557068 DGZJWNTYXVQHRU-STQMWFEESA-N 322.413 -0.124 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)COC)C1 1048535462 NVIDGOKNKVZACE-AGIUHOORSA-N 314.382 -0.498 30 20 DBED C=CCOCC(=O)N(C)[C@H]1CN(C(=O)c2cc[nH]n2)C[C@@H]1O 1048554744 FSMFAWZQTPXJBV-RYUDHWBXSA-N 308.338 -0.744 30 20 DBED C#CCN1C[C@H]2CN(C(=O)CN3C(=O)NC(=O)C3(C)C)C[C@H]2C1 1049154555 ZSJGURRTYAEXMO-TXEJJXNPSA-N 318.377 -0.660 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)[C@H]1CCN(C)C(=O)C1)CCO2 1053314849 XAIFIQPXORLAHT-AWEZNQCLSA-N 319.405 -0.209 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)CN1CCCNC1=O)CCO2 1053327467 JWSUCTIAHYBLRY-UHFFFAOYSA-N 320.393 -0.662 30 20 DBED C#CCN1CC2(C1)CN(C(=O)c1cncc(OC)n1)CCO2 1053458091 ISGOVMNSKCIZEI-UHFFFAOYSA-N 302.334 -0.355 30 20 DBED N#CCN1CC2(C1)CN(C(=O)[C@@H]1CCc3nn[nH]c3C1)CCO2 1053507977 VSVKLXLMSIDQLJ-LLVKDONJSA-N 316.365 -0.654 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)[C@@H]3CCCN3CC#C)CO2)C1 1053832304 HKUIWHVBTWDDTA-GJZGRUSLSA-N 301.390 -0.323 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)c3cc4n(n3)CCCO4)CO2)C1 1053867462 LCYKLDKXVNTFDF-LLVKDONJSA-N 317.349 -0.238 30 20 DBED C=CCN1CC2(C[C@@H](NC(=O)c3ccc(C(N)=O)[nH]3)CO2)C1 1053927293 XSWKQZNNBXMSMQ-SNVBAGLBSA-N 304.350 -0.127 30 20 DBED C#CCN1CC[C@@]2(CCCN(C(=O)CN3C(=O)CNC3=O)C2)C1 1054236311 HSASOKLUNAQVGW-INIZCTEOSA-N 318.377 -0.514 30 20 DBED N#Cc1ccc(N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)Cc2nc[nH]n2)nn1 1055097938 FKKNMEIICRITJR-WOPDTQHZSA-N 324.348 -0.065 30 20 DBED C=CCCC(=O)NC1CCN(CCNC(=O)CNC(C)=O)CC1 1055501396 WPHZEAWRWAYVIT-UHFFFAOYSA-N 324.425 -0.215 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCC[C@@](CO)(NC(=O)COC)C1 1055706651 IXISCOPGXGCSFT-SWLSCSKDSA-N 314.382 -0.306 30 20 DBED N#Cc1nccc(N2CCN(C(=O)C3=COCCO3)CC2)n1 1055712805 RFEPDTZHOVBZGD-UHFFFAOYSA-N 301.306 -0.115 30 20 DBED N#Cc1cnc(N2CCN(C(=O)C[C@@H]3CCC(=O)N3)CC2)cn1 1055849426 WYOCUDVBGMUYJB-NSHDSACASA-N 314.349 -0.334 30 20 DBED N#Cc1ccc(N2CCN(C(=O)C[C@@H]3CCC(=O)N3)CC2)nn1 1055849435 XPXHXLLFHYOVGU-NSHDSACASA-N 314.349 -0.334 30 20 DBED N#Cc1nccnc1N1CCN(C(=O)[C@@H]2CCC(=O)NC2)CC1 1056078572 AAYKZTUVWXXOOY-LLVKDONJSA-N 314.349 -0.477 30 20 DBED CN(c1cnc(C#N)cn1)[C@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 1056997440 BOWDYSOIOYEAFC-NWDGAFQWSA-N 314.349 -0.479 30 20 DBED O=C(C#CC1CC1)N1CCCN(c2ccc3nnnn3n2)CC1 1057134746 WJYUEGSJLULWSG-UHFFFAOYSA-N 311.349 -0.029 30 20 DBED C#CCNC(=O)CC(=O)N(CCO)CCNC(=O)[C@@H](C)CC 1057390782 PXCCHEMDMYHTFP-LBPRGKRZSA-N 311.382 -0.891 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)c1cc[n+]([O-])cc1 1057439421 LUFDQFBWJATSMO-UHFFFAOYSA-N 319.361 -0.326 30 20 DBED CC(C)(C)C#CC(=O)N(CCO)CCNC(=O)Cn1nccn1 1057540286 NLBFMIYRKHHOOB-UHFFFAOYSA-N 321.381 -0.735 30 20 DBED C=CCCOCC(=O)N(CCO)CCNC(=O)c1cnon1 1057920253 MGMLPYUKIYTMBB-UHFFFAOYSA-N 312.326 -0.787 30 20 DBED Cn1nnc(C(=O)N[C@@H]2CCCN(c3ncccc3C#N)C2)n1 1058219092 KVFRTYOIIPINAJ-LLVKDONJSA-N 312.337 -0.124 30 20 DBED Cc1cc(C(=O)NCCN(CCO)C(=O)[C@H](C)C#N)ncn1 1058652905 HXGYBXDONSXGSD-SNVBAGLBSA-N 305.338 -0.505 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H]1CC[C@H](CNC(=O)C(N)=O)CC1 1060733570 RTUVVDRQLSYIAB-IJLUTSLNSA-N 309.366 -0.699 30 20 DBED Cc1cc(C(=O)N2CCOC[C@@H]2CNC(=O)[C@H](C)C#N)ncn1 1061845993 AGJFORVWKHJQJW-PWSUYJOCSA-N 317.349 -0.098 30 20 DBED N#Cc1nccnc1N1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(O)nn1 1062431487 IIKCUJBNMNIUSX-UWVGGRQHSA-N 323.316 -0.053 30 20 DBED N#Cc1nc(=NCC[C@H]2CCCN(C(=O)CC(N)=O)C2)cc[nH]1 1063267449 PQCMTZDYHGAABX-LLVKDONJSA-N 316.365 -0.314 30 20 DBED N#Cc1nc(=NCC[C@@H]2CCCCN2C(=O)CC(N)=O)cc[nH]1 1063825406 PIBGGGNGCYDDGL-NSHDSACASA-N 316.365 -0.171 30 20 DBED N#Cc1ccc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)c2c[nH]c(=O)cn2)nn1 1064334378 QWUJCYJWANRPSA-FDLBOYPASA-N 323.316 -0.561 30 20 DBED C[C@@]1(NC(=O)[C@@H]2COC(=O)N2)CCN(c2cnc(C#N)cn2)C1 1065251172 RLYNQHYBAQTKMW-IINYFYTJSA-N 316.321 -0.458 30 20 DBED C=CCO[C@H](C)C(=O)N1CCO[C@@H](CNC(=O)c2cnn[nH]2)C1 1065284520 MPWLQYVXSMFMNX-MNOVXSKESA-N 323.353 -0.647 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)CN(C)C2CCC2)C1 1065559369 CBLGILWKOJDHOM-OCCSQVGLSA-N 322.409 -0.026 30 20 DBED C=C[C@](C)(O)CC(=O)N(C)CCCN(C)C(=O)Cn1cnnn1 1066783305 HJYTXMJJOHZMSH-AWEZNQCLSA-N 324.385 -0.693 30 20 DBED CN(C(=O)C(N)=O)[C@H]1CCCN(c2ccnc(C#N)n2)CC1 1067607522 BMEVXRBMACVPKB-JTQLQIEISA-N 302.338 -0.349 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1COC2(C1)CN(C(=O)c1ncc[nH]1)C2 1069002327 DOMFQKICWXFYHG-NXEZZACHSA-N 303.322 -0.331 30 20 DBED C[C@H]1C[C@@H](N=c2cc[nH]c(C#N)n2)CN1C(=O)c1cnnn1C 1069084831 JWDOYROLIWREPV-VHSXEESVSA-N 312.337 -0.386 30 20 DBED CCn1ncc(C(=O)N[C@@H]2CN(CC#N)C[C@@H]2n2ccnn2)n1 1069921655 SLDQVAFGEQINML-NEPJUHHUSA-N 315.341 -0.932 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CCCN(C(=O)C(=O)NCC(F)F)C1 1070947550 AZYPRGMJICVMEE-RKDXNWHRSA-N 316.308 -0.365 30 20 DBED C#CCCN1CC[C@]2(C1)CN(C(=O)Cn1ncnn1)C[C@H](C)O2 1071168393 AHFLPCNDGQYFOB-ZFWWWQNUSA-N 318.381 -0.612 30 20 DBED C#CCCCC(=O)N[C@@H]1CCCN(C(=O)[C@H]2CNC(=O)N2)C1 1071207792 KRZJNLAPTVHUIH-VXGBXAGGSA-N 306.366 -0.422 30 20 DBED C#CCN1CCC2(C1)CN(C(=O)[C@H](C)N1C(=O)CCC1=O)C2 1072799119 FXUAIYSBOUPPHK-LBPRGKRZSA-N 303.362 -0.309 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)c2ccc3nn[nH]c3n2)C1 1073630096 MQCJBURFXJNUAT-NSHDSACASA-N 314.349 -0.193 30 20 DBED CC(=O)NCC(=O)N1CC[C@H](NC(=O)C#CC2CC2)[C@H](C)C1 1073946579 SRBMLQLYRDCRTQ-RISCZKNCSA-N 305.378 -0.111 30 20 DBED N#CCN1CCO[C@H]2CCN(C(=O)CCc3nc[nH]n3)C[C@@H]21 1074212181 LFQZXRBFPGYYGM-RYUDHWBXSA-N 304.354 -0.437 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)Cc3ccnn3C)C[C@@H]21 1074226506 RCPNGFIDILDDKD-LSDHHAIUSA-N 302.378 -0.103 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2cnn(-c3ccccn3)c2)C1 1077770784 OXSVKCZGDBJURE-CHWSQXEVSA-N 312.333 -0.434 30 20 DBED CCN(C(=O)c1c[nH]c(C#N)c1)C1CN(C(=O)CNC(N)=O)C1 1079641139 WVLDZPFZQKWRMP-UHFFFAOYSA-N 318.337 -0.772 30 20 DBED CCN(C(=O)C(=O)NCC(F)F)C1CN(C(=O)[C@@H](C)C#N)C1 1080043114 PSQVNESUTWYDSA-QMMMGPOBSA-N 316.308 -0.413 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cnns2)C1 1081297624 NGNLNZLCGIDLDI-MNOVXSKESA-N 322.390 -0.253 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)CCOCC#C)C[C@@H]1O 1081442782 YMXXWBGKGVZVAY-CABCVRRESA-N 320.389 -0.235 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(C(=O)C2=COCCO2)C[C@@H]1O 1081468802 OOYVRTGMTQFYRT-OLZOCXBDSA-N 320.345 -0.777 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@H](CNC(=O)C(C)(C)C(N)=O)C1 1081557752 ALLJITAXVZCKTJ-MNOVXSKESA-N 311.382 -0.600 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1nccnc1N 1083028442 PKZXJJVBTJQCJD-NWDGAFQWSA-N 301.350 -0.393 30 20 DBED COc1nn(C)cc1C(=O)N1CCO[C@@H]2CN(CC#N)C[C@@H]21 1083161572 JCBDGTDJUHYMDS-NWDGAFQWSA-N 305.338 -0.523 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)c2ccc(N(C)C)nc2)C1 1083592551 HCIAVVLDMQXMFK-KGLIPLIRSA-N 302.378 -0.054 30 20 DBED C#CCCN1CC[C@@H]2CN(C(=O)C[C@@H]3CC(=O)NC3=O)[C@@H]2C1 1084873659 OOIKKAOUATVZJM-FRRDWIJNSA-N 303.362 -0.405 30 20 DBED CN(C[C@H]1CCN1CC#N)C(=O)c1cn([C@@H]2CCOC2)nn1 1085916160 SLCGMYBOYPMQFF-VXGBXAGGSA-N 304.354 -0.091 30 20 DBED C#CCN1CC[C@H](NC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)[C@H]1C 1088855422 IAXLSLRTAPALCH-RQJABVFESA-N 307.394 -0.166 30 20 DBED C[C@@H](C[C@@H](C)Nc1cncc(C#N)n1)NC(=O)Cn1cnnn1 1089216497 XHKZTLWLHGZMNB-ZJUUUORDSA-N 315.341 -0.270 30 20 DBED C#CCN1C[C@H]2[C@@H]3CC[C@@H](CN3C(=O)Cn3ncnn3)[C@H]2C1 1089814140 DBSQFOPEMQIEPD-DGAVXFQQSA-N 300.366 -0.525 30 20 DBED COCCCCC(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1O 1090374186 VKQBOSDFBUAWHW-CHWSQXEVSA-N 319.365 -0.169 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2ccc(C(N)=O)o2)[C@@H](O)C1 1090421005 SCAGZHTWNMBLAD-MNOVXSKESA-N 305.334 -0.433 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2cccc(=O)n2C)[C@H](O)C1 1090553791 RJAJGMVYKIRSBS-TZMCWYRMSA-N 303.362 -0.426 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CN2CCCCCC2=O)[C@@H](O)C1 1090791328 SDVBKNGBZPNELG-CABCVRRESA-N 321.421 -0.036 30 20 DBED C=CCN1CC2(C[C@H](NC(=O)c3nnn(C)n3)c3nccn32)C1 1092387054 SKNYTTGJFQCLJM-JTQLQIEISA-N 314.353 -0.522 30 20 DBED Cc1ccc(C#N)c(N2CCO[C@@](C)(CNC(=O)C(N)=O)C2)n1 1092774283 BZSNSUBNEXKGOX-HNNXBMFYSA-N 317.349 -0.542 30 20 DBED C[C@H](C#N)C(=O)N1CCC(OC2CN([C@H](C)C(N)=O)C2)CC1 1093515625 YUGSOMNFJPUELN-GHMZBOCLSA-N 308.382 -0.288 30 20 DBED CCCS(=O)(=O)CC(=O)NCCNc1ccc(C#N)nn1 1093660684 BEUPQPRTAFCCJL-UHFFFAOYSA-N 311.367 -0.299 30 20 DBED C=CCCN1CC(n2cc(CNC(=O)[C@H]3CNC(=O)N3)nn2)C1 1094314967 FPEWODUVYUMORR-GFCCVEGCSA-N 319.369 -0.992 30 20 DBED C#CCCN1CC(N2C[C@@H](NC(=O)C3CCOCC3)CC2=O)C1 1094693329 OHYDMGLORRNAHL-AWEZNQCLSA-N 319.405 -0.162 30 20 DBED C#CCCN1CC(N2C[C@@H](NC(=O)c3cnco3)CC2=O)C1 1094767028 UBPJHNYEWLOGAN-NSHDSACASA-N 302.334 -0.287 30 20 DBED Cn1cnc(C(=O)NCCCN=c2cc[nH]cc2C#N)cc1=O 1094865872 ZJLYRLGECRNRTM-UHFFFAOYSA-N 312.333 -0.299 30 20 DBED CC(=O)N(C)CC(=O)N1CCCN(c2cnc(C#N)cn2)CC1 1095163004 DSEZYPCRBFYVLW-UHFFFAOYSA-N 316.365 -0.135 30 20 DBED Cc1cc(=NC2CCN(C(=O)CNC(N)=O)CC2)c(C#N)c[nH]1 1095215055 PINKBVICBVJBQR-UHFFFAOYSA-N 316.365 -0.245 30 20 DBED CN(CCCNC(=O)Cn1cncn1)c1cnc(C#N)cn1 1095555965 QLTYRFCVKYZWRG-UHFFFAOYSA-N 300.326 -0.418 30 20 DBED CN(CCCNC(=O)c1nnn(C)n1)c1ccncc1C#N 1095698344 UMIJLGNBVJKSGE-UHFFFAOYSA-N 300.326 -0.267 30 20 DBED C[C@@H](CC(=O)N[C@@H]1CCN(c2cncc(C#N)n2)C1)NC(N)=O 1096432604 ZEBOWRAEUVODJH-VHSXEESVSA-N 317.353 -0.510 30 20 DBED C=C(C)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cn1c(O)nnc1O 1096438514 XGYMFUXIBOCRLL-VWYCJHECSA-N 307.354 -0.013 30 20 DBED C#CCCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cn1nc(C)n(C)c1=O 1096459480 GHABYPKZMQEZDQ-RDBSUJKOSA-N 317.393 -0.365 30 20 DBED CCS(=O)(=O)CC(=O)N[C@H]1C[C@H](N=c2cc[nH]cc2C#N)C1 1097032674 KVJSQJUBPYNMFC-HAQNSBGRSA-N 322.390 -0.131 30 20 DBED Cc1cc(=N[C@H]2C[C@@H](NC(=O)CNC(N)=O)C2)c(C#N)c[nH]1 1097146107 PAWSXSSIADKXAP-PHIMTYICSA-N 302.338 -0.589 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1C[C@@H](Nc2nccc(OC)n2)C1 1097175841 GKIDGCLLWGEFIF-PHIMTYICSA-N 317.349 -0.316 30 20 DBED C[C@H](CNC(=O)[C@@H]1CCN(C)C1=O)N=c1cc[nH]cc1C#N 1098193322 CEBYQLZKGGOTDB-PWSUYJOCSA-N 301.350 -0.230 30 20 DBED C#CCN(CCO)C1CCN(C(=O)CCN2CCCC2=O)CC1 1098564226 SBEQLICKAGTMLL-UHFFFAOYSA-N 321.421 -0.083 30 20 DBED C[C@@H](CCNC(=O)[C@H](C)NC(N)=O)Nc1cnc(C#N)cn1 1099040827 JZKZHBBSWRSTAG-IUCAKERBSA-N 305.342 -0.288 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)c2cnccn2)[C@@H](O)C1 1099626880 GLXBDCFOPZSCRF-JSGCOSHPSA-N 306.366 -0.156 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)CCC(C)C)[C@H](O)C1 1099662839 DZVJBONCTCIYDV-UONOGXRCSA-N 309.410 -0.277 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(Cc2noc(CC)n2)C[C@H]1O 1099741593 VZLTWLPZTGPKAE-VXGBXAGGSA-N 324.381 -0.114 30 20 DBED Cc1nc(N(C)CCNC(=O)Cn2cnnn2)ccc1C#N 1099921523 BNACIICCTAGGNL-UHFFFAOYSA-N 300.326 -0.499 30 20 DBED C=C(Cl)CN1CC[C@@H](NC(=O)C2(C(N)=O)CC2)[C@H](O)C1 1099978738 KQEGBKSVJADCNQ-NXEZZACHSA-N 301.774 -0.444 30 20 DBED CC#CCN1CC[C@H](NC(=O)CC(=O)NCC2CC2)[C@H](O)C1 1100069109 HQBZJTLALPQBTL-UONOGXRCSA-N 307.394 -0.523 30 20 DBED C#CCN1CC[C@@H](NC(=O)CNC(=O)c2ccccc2)[C@@H](O)C1 1100083440 SIRSCMHWJRNSDZ-CABCVRRESA-N 315.373 -0.399 30 20 DBED CN(CCNC(=O)CN1C(=O)CCC1=O)c1cnc(C#N)cn1 1100102748 ZHOLRDHRLJHEHQ-UHFFFAOYSA-N 316.321 -0.950 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CCc2cn(C)nn2)[C@@H](O)C1 1100147824 XTRFFNNMDUSTMN-KGLIPLIRSA-N 305.382 -0.678 30 20 DBED CCn1cc(CC(=O)NCCN(C)c2ccc(C#N)nn2)nn1 1100422090 GTKGUEQTGNFIJR-UHFFFAOYSA-N 314.353 -0.245 30 20 DBED CCN(CCNC(=O)[C@@H]1CCNC(=O)C1)c1ccc(C#N)nn1 1100498782 GYDJNRFQTOBSCC-LLVKDONJSA-N 316.365 -0.183 30 20 DBED N#Cc1cnccc1N1CC[C@H](CNC(=O)CNC(N)=O)C1 1100927947 SUIOGWHADGEEGL-SNVBAGLBSA-N 302.338 -0.436 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H]2CN(CCCO)C[C@@]2(C)C1 1101205462 PPHQLWUABAPFBA-CJNGLKHVSA-N 307.394 -0.711 30 20 DBED CN(CCNc1ccc2nnnn2n1)C(=O)CSCC#N 1101514914 ZNRGCLQRQADWFU-UHFFFAOYSA-N 306.355 -0.354 30 20 DBED Cc1cc(=NCCN(C)C(=O)c2nnn(C)n2)c(C#N)c[nH]1 1101896854 RARIDAKSKGZLLH-UHFFFAOYSA-N 300.326 -0.609 30 20 DBED COCC#CCN1C[C@@H](C)[C@H](CNC(=O)[C@H](COC)OC)C1 1102344413 AAHRHSPIZLAANW-KFWWJZLASA-N 312.410 -0.018 30 20 DBED COCC#CCN1C[C@@H](C)[C@H](CCNC(=O)CNC(C)=O)C1 1102640569 ZWGZHSOCEVHSPG-UKRRQHHQSA-N 309.410 -0.154 30 20 DBED CC(C)C[C@@H](CNc1nccnc1C#N)NC(=O)CNC(N)=O 1104907252 YETZSLGMPFXSGJ-JTQLQIEISA-N 319.369 -0.041 30 20 DBED C#CCNCC[C@@H]1CN(C(=O)[C@H]2COCCN2C(C)=O)C[C@H]1C 1105034088 LUDUWZRVCOJJKT-FVQBIDKESA-N 321.421 -0.059 30 20 DBED CN(CCN(C)c1cncc(C#N)n1)C(=O)[C@@H]1CCCNC1=O 1105486146 POTGTKUFOZUVQQ-GFCCVEGCSA-N 316.365 -0.231 30 20 DBED CN(CCN(C)c1nccnc1C#N)C(=O)[C@H]1CCCC(=O)N1 1105491304 NEVGNGIGAZMEQB-LLVKDONJSA-N 316.365 -0.088 30 20 DBED CN(CCN(C)c1ccc(C#N)nn1)C(=O)[C@@]1(C)CCNC1=O 1105557383 KEPMFQFODPNQQI-HNNXBMFYSA-N 316.365 -0.231 30 20 DBED N#Cc1cncc(NC[C@@H](O)CNC(=O)C2CCOCC2)n1 1105700561 JVJCIMRXSUCMEK-GFCCVEGCSA-N 305.338 -0.336 30 20 DBED CCc1nc[nH]c1C(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1 1105922085 NJBJABZUGFADNJ-SECBINFHSA-N 315.337 -0.742 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H](O)CNc1cncc(C#N)n1 1105970742 MPDOUSHHIQOCFU-PWSUYJOCSA-N 303.322 -0.724 30 20 DBED C[C@H]1CCCN1CC(=O)NC[C@H](O)CNc1cnc(C#N)cn1 1106108665 MQTZIFBVHUAHBO-WCQYABFASA-N 318.381 -0.278 30 20 DBED C[C@@H]1CN(C(=O)CCCn2c(O)nnc2O)C[C@H]1CNCC#N 1106347453 YRTDIPXNQAWFBM-GHMZBOCLSA-N 322.369 -0.323 30 20 DBED CCNC(=O)CC(=O)NC/C=C/CN=c1cc[nH]cc1C#N 1107131421 QAMDOFSDENUHCO-ONEGZZNKSA-N 301.350 -0.014 30 20 DBED N#Cc1nccnc1NC/C=C/CNC(=O)Cn1cnnc1O 1107133402 GKQLNDDEVCSDRP-OWOJBTEDSA-N 314.309 -0.570 30 20 DBED COCC(C)(C)C(=O)NCc1cn(C2CN(CC#N)C2)nn1 1107187596 ISQZQXYMBVHBLL-UHFFFAOYSA-N 306.370 -0.053 30 20 DBED C#CCO[C@@H](C)C(=O)NC/C=C/CNc1ccc2nnnn2n1 1107346234 NGGXYOPOINYWLQ-ZWNMCFTASA-N 315.337 -0.358 30 20 DBED C[C@H](CNc1ccc(C#N)nc1)NC(=O)C[C@H]1CC(=O)NC1=O 1107826158 UNJUFIQODVAVQA-ZJUUUORDSA-N 315.333 -0.077 30 20 DBED Cn1ccc(C(=O)NC[C@@]2(C)CN(CC#N)CCO2)cc1=O 1108032445 XYAMYMZYJIQKCW-HNNXBMFYSA-N 304.350 -0.270 30 20 DBED CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@]1(C)CN(CC#N)CCO1 1108216120 RTVSBSMXJPBBQS-ZOWXZIJZSA-N 308.382 -0.559 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)CCn3ccnn3)CC2=O)C1 1108536492 FUDNENNRUOFRTP-LBPRGKRZSA-N 318.381 -0.745 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H]1CC(=O)N(C2CN(CCOC)C2)C1 1108546626 ZTCYSDRISJVQQT-STQMWFEESA-N 323.393 -0.928 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)[C@@H](CC)N(C)C)CC2=O)C1 1108554014 ZVGCPVHNQGHGOS-TZMCWYRMSA-N 306.410 -0.639 30 20 DBED CC#CCN1CC(N2C[C@@H](NC(=O)CN(C)CCC)CC2=O)C1 1108586668 ACKBRPFNAQAVGU-AWEZNQCLSA-N 320.437 -0.247 30 20 DBED C#CCN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(C)S(C)(=O)=O)C2 1108699564 FYVRWUPJBTYEBY-AVGNSLFASA-N 313.423 -0.520 30 20 DBED C[C@@H](CN(C)c1ccnc(C#N)n1)NC(=O)c1cnnn1C 1108921626 OFLLEASLMHOIPW-VIFPVBQESA-N 300.326 -0.269 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@H](C)CN(C)c1ccc2nnnn2n1 1108922588 AZANPLAPRRHRJK-YGRLFVJLSA-N 319.369 -0.213 30 20 DBED COC(=O)NCC(=O)N(C)CCCNc1nccnc1C#N 1109373224 PUMLWSKLQMUBGL-UHFFFAOYSA-N 306.326 -0.035 30 20 DBED CNC(=O)NCCC(=O)N(C)CCCNc1nccnc1C#N 1109438363 PTZFPTWBZNBXAE-UHFFFAOYSA-N 319.369 -0.072 30 20 DBED CN(CCCN=c1cc[nH]c(C#N)n1)C(=O)[C@H]1C[C@H]1C(N)=O 1109624706 YLSOQNBEBMZINB-ZJUUUORDSA-N 302.338 -0.848 30 20 DBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H]1CCOC1 1110367820 XYAYFQABTSNUEJ-LPWJVIDDSA-N 306.366 -0.616 30 20 DBED CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC#CCOC 1110466011 FEBGNFIPSWDDMN-MCIONIFRSA-N 307.394 -0.116 30 20 DBED CCC(=O)NCC(=O)N1CCC[C@H]1CN=c1cc[nH]c(C#N)n1 1110535450 BFAXDCIQQULTTE-NSHDSACASA-N 316.365 -0.301 30 20 DBED CCO[C@@H](C)C(=O)N(CCO)CCN=c1cc[nH]c(C#N)n1 1111431380 UONUOGCPRMVQBZ-NSHDSACASA-N 307.354 -0.572 30 20 DBED Cc1cc(=NCCN(CCO)C(=O)c2cnon2)c(C#N)c[nH]1 1111495345 BGSZKOKGFXMRHJ-UHFFFAOYSA-N 316.321 -0.387 30 20 DBED CO[C@H](C)C(=O)N[C@]12CCC[C@H]1CN(CC(=O)NCC#N)C2 1111628943 OOURFPJNGVLION-XUJVJEKNSA-N 308.382 -0.368 30 20 DBED C[C@@H](C#N)C(=O)NC1CC(CNc2nccn3nnnc23)C1 1112824389 NNLNEPKXQZNAET-IDKOKCKLSA-N 300.326 -0.014 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCN(CC(=O)Nc2ccon2)CC1 1112841854 PDNKJIYBMKURSQ-LBPRGKRZSA-N 320.349 -0.204 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)C3CCOCC3)[C@@H]2C1 1113769722 LVNJQMAPHUAETN-IACUBPJLSA-N 319.405 -0.403 30 20 DBED C[C@H](CNC(=O)[C@]1(C)CCC(=O)N1)N(C)c1ccc(C#N)nn1 1113866680 HEYJCHUHUHQSSV-BMIGLBTASA-N 316.365 -0.042 30 20 DBED CNC(=O)NCC(=O)NC[C@@H](C)N(C)c1cncc(C#N)n1 1113938306 GYTSZNSBPVMJIM-SECBINFHSA-N 305.342 -0.782 30 20 DBED C#CCCCCC(=O)N[C@H]1[C@@H]2CN([C@H](C)C(=O)NC(N)=O)C[C@@H]21 1114163458 ICAZYHADMJBWPS-NMKXLXIOSA-N 320.393 -0.190 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)c3cc(=O)n(C)o3)[C@H]2C1 1114175449 DPRKXFCWBGXAFK-YABSGUDNSA-N 305.334 -0.712 30 20 DBED CNC(=O)CC(=O)N1CCC(N(C)c2nccnc2C#N)CC1 1115137352 ZCHICGSPDWDAPU-UHFFFAOYSA-N 316.365 -0.088 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@@H](C)c1ncnn1C)[C@@H]1CCCO1 1117543084 CWXUEAWZSPKOMB-DCAQKATOSA-N 305.338 -0.711 30 20 DBED C=CCCn1cc(C(=O)NC[C@H](O)CN2CCCC2=O)nn1 1118090241 GEPMKTMZPDRGPO-NSHDSACASA-N 307.354 -0.433 30 20 DBED Cc1nn(C)c(C)c1CNC(=O)C(=O)N1CC[C@](O)(CC#N)C1 1118145586 NFWIBXRYSDNCGZ-OAHLLOKOSA-N 319.365 -0.470 30 20 DBED CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)C1 1118189351 OOGOJBGODGXCSD-BBRMVZONSA-N 322.409 -0.195 30 20 DBED CCn1cc(C(=O)NC[C@H](CO)N=c2cc[nH]cc2C#N)cn1 1121228276 FIOBEDCHYSYUGD-CYBMUJFWSA-N 314.349 -0.206 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)Cc2cc[nH]n2)nn1 1121399232 NQOAFWFVUXCFOO-NSHDSACASA-N 301.310 -0.797 30 20 DBED Cc1cn(C)nc1C(=O)NC[C@@H](CO)Nc1cncc(C#N)n1 1121445812 DFHAYUYYTPYRBJ-NSHDSACASA-N 315.337 -0.407 30 20 DBED CCO[C@H](C(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1)C1CC1 1122118458 CNQRQESQIYXSIH-FZMZJTMJSA-N 319.365 -0.526 30 20 DBED N#Cc1cccnc1N[C@@H](CO)CNC(=O)[C@@H]1[C@H]2COC[C@H]21 1122373164 WVVKUCSCSMLLRV-NDBYEHHHSA-N 302.334 -0.265 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)[C@@H]1CCCN1C 1124208199 VZHDPMSQNLXCQI-NEPJUHHUSA-N 318.381 -0.904 30 20 DBED CN(C[C@H](O)CNc1ccc(C#N)cn1)C(=O)c1nc[nH]n1 1124459720 CCMUGSVVSUNLLJ-SNVBAGLBSA-N 301.310 -0.384 30 20 DBED CO[C@@H](C)C(=O)N(C)C[C@H](O)CN(C)c1nc(C)cc(C#N)n1 1124958784 WQMVKLOKMNSIDH-AAEUAGOBSA-N 321.381 -0.053 30 20 DBED C[C@@H]1CN(C(=O)CNCCNC(=O)C#CC(C)(C)C)CCO1 1126915718 HQLWEIUTPDCKPX-CYBMUJFWSA-N 309.410 -0.011 30 20 DBED C#CCC1(C(=O)NCCNCCS(C)(=O)=O)CCOCC1 1129116841 KELKLJSMVCUARX-UHFFFAOYSA-N 316.423 -0.443 30 20 DBED C=C(C)CN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H](C)CC(N)=O)C1 1129154078 JLUMPRBSCOYAKO-XQQFMLRXSA-N 320.397 -0.293 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1cn(C)nc1CC 1130017271 ZWKFOZXNLLENSY-LLVKDONJSA-N 305.382 -0.560 30 20 DBED CN1C[C@@H](C(=O)NCCNCc2ccc(C#N)cc2)NC1=O 1132387306 QYDUJYOHBLSJEO-ZDUSSCGKSA-N 301.350 -0.212 30 20 DBED C#CCN1C[C@@H](NC(=O)CCS(=O)(=O)N(C)C)CC[C@@H]1C 1132503966 FJYFBHZIHOLVHF-STQMWFEESA-N 315.439 -0.130 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)C[C@H](C)NCc1cnn(C)n1 1134130011 AZTPUVGXYFUVQO-NWDGAFQWSA-N 320.397 -0.673 30 20 DBED C=CCCn1cc(C(=O)NCCNCCN2CCCC2=O)nn1 1135075672 UAHGOYUERCSKDR-UHFFFAOYSA-N 320.397 -0.204 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1cnn(CCN(C)C)c1 1135114975 QZOMNHVPJDKPMQ-UHFFFAOYSA-N 322.413 -0.934 30 20 DBED CCCn1nc(C)c(C(=O)NCCNCC(=O)NCC#N)c1C 1147092646 DKRVFWRIVRVDFE-UHFFFAOYSA-N 320.397 -0.131 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1c(OC)ccnc1O 1148018721 GGSYSHPCEFCHTR-JTQLQIEISA-N 320.349 -0.747 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cnn2ccc(C)nc12 1148156119 CJTQNNQPDIIRNU-UHFFFAOYSA-N 314.349 -0.893 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)c1nc(C)c[nH]1)C2 1148413304 WHOOLMDTKWGISE-UHFFFAOYSA-N 315.377 -0.385 30 20 DBED C#CCNC(=O)CN1CCCO[C@H](CNC(=O)CSC)C1 1149091101 XSMMSNKKDQFBFJ-GFCCVEGCSA-N 313.423 -0.694 30 20 DBED Cn1ncnc1CN1CCCO[C@H](CNC(=O)C#CC2CC2)C1 1149693817 CLTKWAUYZWYVKU-CQSZACIVSA-N 317.393 -0.064 30 20 DBED C=CCN1CCCO[C@@H](CNC(=O)[C@@H](C)NC(=O)COC)C1 1149764802 QIUWLUYBHNDSKR-OLZOCXBDSA-N 313.398 -0.469 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)NCCNCc1cnnn1C 1152398704 GOBNWKNMFNYPPE-UHFFFAOYSA-N 323.401 -0.715 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)CCn1cccn1 1154766590 FYTVEEYVIPHSFX-ZDUSSCGKSA-N 305.382 -0.493 30 20 DBED CCCCNC(=O)NC(=O)CNCCCNC(=O)[C@@H](C)C#N 1155860207 BSCZKURKWJBDTQ-NSHDSACASA-N 311.386 -0.132 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)NCCCNC(=O)[C@H](C)C#N 1155860935 ZRQWADICSYBBHB-MNOVXSKESA-N 309.370 -0.358 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)c2cnnc(O)c2)C1=O 1160499918 LCBSPLAVESAYOD-GFCCVEGCSA-N 319.365 -0.321 30 20 DBED CC#CCNCCCC[C@H](C)NC(=O)C[C@@H]1NC(=O)NC1=O 1171307699 LBIFEKSWEZQGMF-RYUDHWBXSA-N 308.382 -0.128 30 20 DBED C[C@H](CCCCNCC(=O)NCC#N)NC(=O)c1cnn[nH]1 1171660024 XHEJTNUQWRNZFB-SNVBAGLBSA-N 307.358 -0.677 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)CNC(=O)C3CCC3)C[C@@H]21 1177155858 BCKFLTYBGCTXOC-LSDHHAIUSA-N 319.405 -0.162 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)c2nonc2C)C1=O 1177434970 DUKUGJSDTVMIHT-NSHDSACASA-N 307.354 -0.126 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)CN(C)C(C)=O)[C@H]1C 1178162691 FYIOGHHHTWUFFP-DYEKYZERSA-N 324.425 -0.266 30 20 DBED C=CCNC(=O)CNCCCCCCNC(=O)CC(=O)NC 1178290308 WBFQEBNVBBQZBP-UHFFFAOYSA-N 312.414 -0.309 30 20 DBED C=CCOCCCC(=O)N1CC[C@@H](N[C@@H]2CCC(=O)NC2=O)C1 1181898600 XQVJIZKDLRLDDE-CHWSQXEVSA-N 323.393 -0.035 30 20 DBED CCS(=O)(=O)NCCN[C@@H]1CCN(C(=O)C#CC(C)C)C1 1182431601 DPRBGMLTOMCGKE-CYBMUJFWSA-N 315.439 -0.224 30 20 DBED C=CCOCC(=O)N1CC[C@@H](CNCc2nnnn2C)[C@@H](C)C1 1184087173 AFCCHFDDOWAYSD-STQMWFEESA-N 322.413 -0.013 30 20 DBED CN(Cc1nc(O)n[nH]1)[C@H]1CCN(C(=O)CSCC#N)C1 1188958188 DRFNITDNESEWRB-VIFPVBQESA-N 310.383 -0.200 30 20 DBED CC[C@H](C)OCC(=O)N1CC[C@@H](N(C)CC(=O)NCC#N)C1 1189718066 VQGFOMLRANCTQA-QWHCGFSZSA-N 310.398 -0.026 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC[C@H](N(C)Cc2nc(=O)n(C)[nH]2)C1 1189917880 LHTIZMZNSNFSPB-XHDPSFHLSA-N 323.397 -0.532 30 20 DBED CN(CC(=O)N1CC[C@H](N(C)CC(=O)NCC#N)C1)C1CCC1 1190675483 OQIVSZQVJDONIO-AWEZNQCLSA-N 321.425 -0.357 30 20 DBED CO[C@@H](C(=O)N1CC[C@H](N(C)CC(=O)NCC#N)C1)C1CCC1 1191586859 OWMSKNJWFWKSNE-DZGCQCFKSA-N 322.409 -0.026 30 20 DBED CCCc1noc(CN2C[C@@H](O)[C@H](NC(=O)[C@H](C)C#N)C2)n1 1191854515 OAKCSZSAFSWOSM-GMTAPVOTSA-N 307.354 -0.157 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)[C@H](C)n2cncn2)C1 1192270482 FVEPBLZFMUEABN-YNEHKIRRSA-N 309.370 -0.797 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(Cc2cnn(CC)n2)C[C@H]1O 1192504131 WDMQMWGGSZNDJA-ZIAGYGMSSA-N 305.382 -0.237 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)/C=C(\C)CC)C1 1192722484 OBYDPXIOEOVGCC-JXBUSTNMSA-N 307.394 -0.358 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2ccn(C)n2)C[C@H]1O 1192892236 VTGJWSLGUDBDEZ-IACUBPJLSA-N 306.366 -0.880 30 20 DBED CC#CCN(C)[C@H]1CCN(C(=O)CN2CCC(=O)NC2=O)C1 1193312136 WGMQSMFRSSQTQC-LBPRGKRZSA-N 306.366 -0.516 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCO[C@H]2C=C)C1 1196276728 VSOOJVFYEZENQK-TUVASFSCSA-N 310.394 -0.059 30 20 DBED COCC#CCN1CCCN(C(=O)[C@@]2(C)CNC(=O)C2)CC1 1196601953 CZLWBHROISXZME-MRXNPFEDSA-N 307.394 -0.303 30 20 DBED C#CCNC(=O)CC(=O)N1CCC(NCc2nc(C)no2)CC1 1200171286 WKDMRCVNNHQNCN-UHFFFAOYSA-N 319.365 -0.402 30 20 DBED C#CCCCC(=O)N1CCCO[C@H](CN[C@@H]2CCNC2=O)C1 1200403793 AEYARBQMXJJXDG-ZIAGYGMSSA-N 307.394 -0.115 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC(NCc2cnn(C)n2)CC1 1200532467 RKCQEZFCUKYAOR-GFCCVEGCSA-N 305.382 -0.066 30 20 DBED N#CCNC[C@H]1CN(C(=O)CC2CS(=O)(=O)C2)CCCO1 1200851645 QNNGAGBIIHDGGH-LBPRGKRZSA-N 315.395 -0.848 30 20 DBED N#CCNC1CCN(C(=O)CNC(=O)c2cscn2)CC1 1203229210 LJVNNXQOSXWEED-UHFFFAOYSA-N 307.379 -0.023 30 20 DBED Cc1ncoc1C(=O)N1CCC[C@@H](NCC(=O)NCC#N)C1 1207744041 JHJFXBDYQXBJIU-LLVKDONJSA-N 305.338 -0.183 30 20 DBED C#CCCN[C@@H]1CCCN(C(=O)Cn2ccc(O)nc2=O)C1 1208508036 UGXVTNNBLKLYEM-GFCCVEGCSA-N 304.350 -0.447 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@H]2CCNC2=O)C1 1208941673 HMZVOKBTSWKNLK-NEPJUHHUSA-N 308.382 -0.995 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCN(C(=O)Cc2ccc[nH]2)C1 1211193995 LANKPVMGKKCAIZ-CYBMUJFWSA-N 303.366 -0.222 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)c2cnc(O)n2C)C[C@H]1C 1215309685 QPOGIXBXWTWMOG-VXGBXAGGSA-N 306.366 -0.174 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)CN(C)CCC)C[C@H]1C 1216515973 WHQLTGOMNRNUDM-QLFBSQMISA-N 322.453 -0.097 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CN(CC(=O)NC2CCCC2)C[C@@H]1O 1219378760 DUTSFHQMGZBEOV-RTXFEEFZSA-N 308.382 -0.634 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)Cc2ccc(C)o2)C1 1219471149 VUZYVZCPAJHGKS-KGLIPLIRSA-N 319.361 -0.959 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)/C=C(/C)CC)C1 1219583761 OBYDPXIOEOVGCC-RYUNWGMESA-N 307.394 -0.358 30 20 DBED Cc1cnc(CN2C[C@H](O)[C@H](NC(=O)C#CC3CC3)C2)nc1 1219591560 JZDUNLONURJXSK-KGLIPLIRSA-N 300.362 -0.140 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)[C@@H](C)c2ccnn2C)C1 1219652402 XZMGVJNFTMMJDF-GUTXKFCHSA-N 320.393 -0.665 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)C(C)(C)NC(=O)NCC)C1 1220465896 XGMUGZUNKFQWPZ-NEPJUHHUSA-N 312.414 -0.179 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2csc(C)c2)C1 1220546006 ZJVBEARTWCRNNY-OLZOCXBDSA-N 321.402 -0.419 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)c2cc(CC)nn2C)C1 1220599989 WMWIWXOQBIUDIZ-HIFRSBDPSA-N 322.409 -0.040 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)C3=COCCO3)[C@@H]2C1 1221240365 IJXYXZFQIDKMOY-CHWSQXEVSA-N 319.361 -0.843 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CCN(C(=O)[C@@H](C)OC)C[C@@H]21 1222348324 LTOJRAGSZYCMSZ-MCIONIFRSA-N 307.394 -0.307 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)CCCN(C)C)CC1 1224254879 YPVCPEZBBYSJBO-UHFFFAOYSA-N 322.453 -0.094 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)Cn2cccn2)CC1 1226038059 GELDDFNIBXRZER-UHFFFAOYSA-N 305.382 -0.234 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N1C[C@H](O)C[C@@H]1COC 1261989858 XUUBKGFUBOZZMO-YNEHKIRRSA-N 312.366 -0.861 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)CN2CCCNC2=O)C1 1318341581 DWOPKGRUTLNZOL-CYBMUJFWSA-N 308.382 -0.758 30 20 DBED CN1CCN(C)[C@H](CNC(=O)NC2CCN(CC#N)CC2)C1 1318506723 IHXOLZYHEACFTI-CQSZACIVSA-N 308.430 -0.481 30 20 DBED C=CCN(C(=O)CO[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1323525693 JORAJXMSZOKMGS-VXGBXAGGSA-N 303.380 -0.006 30 20 DBED CNC(=O)[C@]1(C)CCN(C(=O)C(=O)Nc2cnn(CC#N)c2)C1 1325052654 WZJIWALCFZDGGD-CQSZACIVSA-N 318.337 -0.670 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N[C@H](C)[C@@H]2CCCNC2)nn1 1325830326 RNSPYRVFMWTYNS-VXGBXAGGSA-N 320.397 -0.415 30 20 DBED COCCN(CCC#N)C(=O)C(=O)Nc1cccc(C(N)=O)n1 1326082031 FMXLYEFUNLIBDG-UHFFFAOYSA-N 319.321 -0.492 30 20 DBED C=CCn1c(Cc2noc(CNC)n2)nnc1N1CCOCC1 1327005554 RGFTXZQDNFZAJS-UHFFFAOYSA-N 319.369 -0.006 30 20 DBED C[C@H](CNC(=O)C(=O)N1CCC[C@H](CC#N)C1)S(C)(=O)=O 1328070492 VSUCKIAMTKZPOJ-GHMZBOCLSA-N 315.395 -0.312 30 20 DBED Cc1nccn1CCCCNC(=O)C(=O)N1CCO[C@H](C#N)C1 1329178177 HEPWZEBBELRFHW-CYBMUJFWSA-N 319.365 -0.161 30 20 DBED C#CCN1CCC[C@H](NC(=O)N2CCS(=O)(=O)C[C@H]2C)C1 1333676234 BJWXZJMCDWEVBK-OLZOCXBDSA-N 313.423 -0.088 30 20 DBED C#CCOCCn1nnnc1N1C[C@H](C)S(=O)(=O)[C@@H](C)C1 1334944936 VASAOYCQXTUHTQ-QWRGUYRKSA-N 313.383 -0.665 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N1C[C@@H]2CN(C(C)=O)C[C@@H]2C1 1334974481 BMRRXCLIXNHGHC-OKILXGFUSA-N 323.393 -0.416 30 20 DBED CC[C@H](CN1CCOCC1)NC(=O)C(=O)N1CCC[C@@H](C#N)C1 1336240883 KLYGANDIQUQQQF-UONOGXRCSA-N 322.409 -0.024 30 20 DBED N#CCOc1cccc(NC(=O)C(=O)NCCn2ncnn2)c1 1337199841 ZUBJDFBZRJUORS-UHFFFAOYSA-N 315.293 -0.670 30 20 DBED C[C@@H](CC#N)NC(=O)C(=O)Nc1ccc(S(C)(=O)=O)nc1 1338694212 UNXSIXARSDQRMS-QMMMGPOBSA-N 310.335 -0.158 30 20 DBED C#CCOCCn1nnnc1N1CCC(C(=O)NOC)CC1 1344585672 ZVYOODYPVPNWKT-UHFFFAOYSA-N 308.342 -0.783 30 20 DBED N#Cc1ccc(CCNC(=O)C(=O)N2CCn3ncnc3C2)cc1 1346937487 XBBCKARLAMLNCL-UHFFFAOYSA-N 324.344 -0.149 30 20 DBED CCN1CCC[C@@H](CNC(=O)Cn2cc(C#N)c(O)nc2=O)C1 1361690303 DWVPYZXPQKVVPF-NSHDSACASA-N 319.365 -0.331 30 20 DBED N#Cc1cn(CCC(=O)N(C2CC2)C2COC2)c(=O)nc1O 1363309424 XLJRWQPVFDXWIU-UHFFFAOYSA-N 304.306 -0.400 30 20 DBED COC(=O)[C@H]1C[C@H](O)CN(S(=O)(=O)CC(C)(C)C#N)C1 1364016532 VPTRPAMEKWWANJ-UWVGGRQHSA-N 304.368 -0.278 30 20 DBED COC(=O)[C@](C)(CO)NS(=O)(=O)c1ccc(CC#N)cc1 1365419045 ZSNJMSWBMJRQQQ-ZDUSSCGKSA-N 312.347 -0.045 30 20 DBED COCC(=O)N(C)CC(=O)NCC[C@@H](C)NC(=O)[C@@H](C)C#N 1373291909 ZIAXGJNWDWJPFF-WDEREUQCSA-N 312.370 -0.738 30 20 DBED C[C@H](C#N)C(=O)NCCN(C)C(=O)c1cc(C(N)=O)ccn1 1373647941 UEWJZDRQXABFRN-SECBINFHSA-N 303.322 -0.472 30 20 DBED CCN(CCNC(=O)c1ccc(C(N)=O)cn1)C(=O)[C@@H](C)C#N 1373860785 BXQRGJQOKLKHFN-JTQLQIEISA-N 317.349 -0.082 30 20 DBED C[C@H](C#N)C(=O)N1CCC(N(CCO)Cc2nncn2C)CC1 1375684384 FZPBJSGDYYWMEZ-GFCCVEGCSA-N 320.397 -0.240 30 20 DBED C[C@H](C#N)C(=O)NCC1CN(C(=O)CN2CCCNC2=O)C1 1387925038 MEPNVSCONKPTGO-SNVBAGLBSA-N 307.354 -0.864 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)c2coc(C(N)=O)c2)CC1 1393735443 BKOXVUSDTLHOHZ-QMMMGPOBSA-N 304.306 -0.083 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1C[C@@H](NC(=O)[C@H](C)S(C)(=O)=O)C1 1396536947 DYUATTDFFJHRTL-XWLWVQCSSA-N 315.395 -0.410 30 20 DBED CCO[C@@H](C)C(=O)NC[C@H](O)CNC(=O)c1ccc(C#N)[nH]1 1399788486 KOZFKQNJZJRSCH-ONGXEEELSA-N 308.338 -0.482 30 20 DBED C=C(Br)CNC[C@@H](O)CNC(=O)[C@@H]1CCOC1 1401492080 MLGISCDEHFLDOM-NXEZZACHSA-N 307.188 -0.002 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CN(C)C(=O)Cc1cncn1C 1405635227 ZJSIILOSYQOEJQ-JQWIXIFHSA-N 307.354 -0.942 30 20 DBED CCC(=O)N1CCO[C@@H](CNCC(=O)N(CC)CCC#N)C1 1407837496 VAGJFRWXBNYFRI-ZDUSSCGKSA-N 310.398 -0.024 30 20 DBED CC[C@H](C)N(C)CCNC(=O)Cn1cc(C#N)c(O)nc1=O 1411748126 ZJWMDHOKSBZZTG-JTQLQIEISA-N 307.354 -0.333 30 20 DBED CCOCC(=O)N1CCC(N(CCO)C(=O)[C@H](C)C#N)CC1 1446184918 CPSXHXMXWJPKIS-GFCCVEGCSA-N 311.382 -0.006 30 20 DBED C[C@@H](C#N)C(=O)NCC1(C)CCN(Cc2nc(=O)n(C)[nH]2)CC1 1446616475 QENLTJQSJIMLGL-NSHDSACASA-N 320.397 -0.014 30 20 DBED N#Cc1cn(CCC(=O)N2C[C@H]3CC[C@H]2[C@H](O)C3)c(=O)nc1O 1455792236 MDAXRQCJMSXGFF-ZMLRMANQSA-N 318.333 -0.418 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)COCC1CCCC1 1458022731 ZGEXLVAPGLEQGE-WCQYABFASA-N 311.382 -0.054 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C)C(=O)C(C)(C)NS(C)(=O)=O 1496500091 FSFADCMHKRINDH-VIFPVBQESA-N 318.399 -0.952 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCN(C)Cc1cc(=O)n(C)c(=O)n1C 1496680892 XYVZEAUAKUQTHQ-NSHDSACASA-N 321.381 -0.866 30 20 DBED CC(C)c1nnnn1CC(=O)NC[C@H](C)CNC(=O)[C@@H](C)C#N 1500240324 JXWROXBXHSAELH-QWRGUYRKSA-N 321.385 -0.175 30 20 DBED C=CCn1c(N2CCN(C)C(=O)[C@H]2C)nnc1[C@](C)(O)COC 1520484253 QFKBRURSWSREJF-IAQYHMDHSA-N 323.397 -0.015 30 20 DBED CS[C@H](C)C(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1 1523842755 LMVBIXUGMIJECW-BDAKNGLRSA-N 304.393 -0.296 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CCCN1C(=O)[C@@H]1CCCN1C(N)=O 1531999359 TWNIEVRDAJROIF-TUAOUCFPSA-N 321.381 -0.204 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1c[nH]c2ncccc12 1533269003 OWFPIIASNALREM-ZJUUUORDSA-N 315.333 -0.071 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)[C@H](C)CN2CCOCC2)C1 1567900216 GOOKWGSCYMPRHA-HZPDHXFCSA-N 323.437 -0.205 30 20 DBED C[C@@H](CCS(C)(=O)=O)Nc1cnc(-c2nn[nH]n2)c(C#N)n1 1574694587 SBEVLGLNUCRBIG-ZETCQYMHSA-N 322.354 -0.237 30 20 DBED C=CCN1CC(O)(CNC(=O)[C@@H]2CCCN2Cc2cnn[nH]2)C1 1575100200 MFONNWUEGRFCPE-ZDUSSCGKSA-N 320.397 -0.882 30 20 DBED C#CC[C@H](NS(=O)(=O)C[C@@H](OC)C1CCOCC1)C(=O)O 1588423545 KKNJEXCYPJLHAM-NWDGAFQWSA-N 319.379 -0.176 30 20 DBED C=C(C)COCCNC(=O)NCCn1cnc(-c2nn[nH]n2)n1 1588429073 NXFFBCRBUMTUMF-UHFFFAOYSA-N 321.345 -0.650 30 20 DBED C=CCN(CCC#N)c1c(-c2nn[nH]n2)c(=O)n(C)c(=O)n1C 1588632062 ITVYIGKYUUFRTE-UHFFFAOYSA-N 316.325 -0.830 30 20 DBED C=CC(C)(C)C(=O)NC[C@H](CO)N=c1cc[nH]c(C(=O)O)n1 1588672436 SDMFTKHQEGPBTG-SECBINFHSA-N 308.338 -0.302 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N1CC[C@](OC)(C(=O)O)C1 1588692903 MNXLDTYVBCMBKG-TVQRCGJNSA-N 300.311 -0.994 30 20 DBED CCN(CCC#N)S(=O)(=O)N[C@H](CCC(=O)O)C(=O)OC 1596299941 JRFORAQFXSHMDD-SECBINFHSA-N 321.355 -0.537 30 20 DBED CN(C(=O)[C@H]1C[C@@H]1C(=O)O)C1CCN(CC(=O)NCC#N)CC1 1597998263 JSXWKISYLILSCG-RYUDHWBXSA-N 322.365 -0.730 30 20 DBED N#Cc1c(C(=O)NCC(=O)NCC(=O)O)[nH]c2ccccc12 1601081995 SOMJCXXGCGUZOB-UHFFFAOYSA-N 300.274 -0.030 30 20 DBED O=C(CCN/C(O)=C1\N=CC=CC1=O)N[C@H]1C[C@H](C(=O)O)C1 1601280030 UXBJEPVHIUPLDU-WRIQUJNTSA-N 307.306 -0.118 30 20 DBED C#CCC[C@@H](O)CNS(=O)(=O)c1cncc(-c2nn[nH]n2)c1 1602703740 ZOWXOVQCOCPKAN-SNVBAGLBSA-N 322.350 -0.686 30 20 DBED C=CC[C@H](C(=O)O)N1CCS(=O)(=NS(C)(=O)=O)CC1 1602836402 QBLWCWFWEHTGEJ-SECBINFHSA-N 310.397 -0.241 30 20 DBED N#CCNC(=O)CNC(=O)COc1ccc(-c2nn[nH]n2)cc1 1609495980 BKADLJCLAFVASS-UHFFFAOYSA-N 315.293 -0.999 30 20 DBED N#CCN[C@H](CNC(=O)[C@@H]1COCCN1CC(F)F)C1CC1 1752472430 IVHIMPLLLDPMKJ-NEPJUHHUSA-N 316.352 -0.040 30 20 DBED C=C(C)CN[C@H](CNC(=O)Cn1nc(C)n(C)c1=O)C1CC1 1752494052 MUZNAJVZAVTWPX-CYBMUJFWSA-N 307.398 -0.049 30 20 DBED C#CCNC(=O)CN1CC(NC(=O)c2c(F)cncc2F)C1 1753379202 KSQSXDFOJBJHNT-UHFFFAOYSA-N 308.288 -0.477 30 20 DBED C=CCNC(=O)CN1CC(CNC(=O)c2ccc(C#N)[nH]2)C1 1753399700 NDRYIPJTAIBFSG-UHFFFAOYSA-N 301.350 -0.150 30 20 DBED CC1(C)CO[C@@H](CC(=O)NCC2CN(CC(=O)NCC#N)C2)C1 1753406567 BFLZYSAIVDVDGS-ZDUSSCGKSA-N 322.409 -0.121 30 20 DBED Cc1ccoc1CC(=O)N[C@@H]1[C@H]2C[C@H]1N(CC(=O)NCC#N)C2 1754428113 HLCMGUKHILSJDA-HWWQOWPSSA-N 316.361 -0.041 30 20 DBED CCn1ccc(C(=O)NC[C@H]2CCN2CC(=O)NCC#N)n1 1754496935 YQBLUHDMPKJYCF-LLVKDONJSA-N 304.354 -0.653 30 20 DBED C=CCN1CC[C@@]2(CCN(C(=O)CS(=O)(=O)N(C)C)C2)C1 1754569442 NJUMTOCGFDAAEW-CQSZACIVSA-N 315.439 -0.012 30 20 DBED CC#CCN1CCC(C)(CNC(=O)Cn2ncn(C)c2=O)CC1 1754717651 AWAWGDHQZDUQBB-UHFFFAOYSA-N 319.409 -0.177 30 20 DBED CC(C)(C)C(=O)NCC(=O)N[C@]1(CO)CCCN(CC#N)C1 1754860101 BDWVJQRXEOYZBV-OAHLLOKOSA-N 310.398 -0.385 30 20 DBED COCC#CCN1CCC[C@@H](NC(=O)[C@H](C)NC(N)=O)CC1 1755021810 IVGDMSNUKXACDJ-QWHCGFSZSA-N 310.398 -0.336 30 20 DBED C#CCCN[C@]1(CO)CCCN(C(=O)[C@@H](C)S(C)(=O)=O)C1 1755086516 SYEVVNUUESUSIT-TZMCWYRMSA-N 316.423 -0.614 30 20 DBED C=CCNC(=O)CN[C@@H](C)[C@H]1CN(C(=O)c2ccon2)CCO1 1755439520 QPVGHXKDJOPIFZ-WCQYABFASA-N 322.365 -0.204 30 20 DBED C=CCOCC(=O)N1CCO[C@H]([C@H](C)NCc2cnon2)C1 1755439664 RXILYSVZRMBPRU-AAEUAGOBSA-N 310.354 -0.022 30 20 DBED C#CCN[C@@H](C)[C@@H]1CN(C(=O)c2cnc(N(C)C)cn2)CCO1 1755441287 DKEYTKYBXICSBD-JSGCOSHPSA-N 317.393 -0.005 30 20 DBED N#CCNC(=O)CNC[C@H]1C[C@H](NC(=O)c2csnn2)C1 1755476378 VMAIWUYRSWYTOF-KYZUINATSA-N 308.367 -0.724 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@H](CO)CNC(=O)c1c[nH]c(C#N)c1 1755625331 JCAFCLIWHRUEKP-MFKMUULPSA-N 319.365 -0.743 30 20 DBED C[C@H]1C[C@@H](NCC(=O)NCC#N)CN1C(=O)c1cccc(O)n1 1755676594 WIYLPWPKGDWING-WDEREUQCSA-N 317.349 -0.380 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@H](CO)NC(=O)c1oncc1C 1756515728 OMRMPWMXNKIWBT-HZMBPMFUSA-N 311.338 -0.483 30 20 DBED O=C(C#CC1CC1)N[C@H](CO)CNC(=O)c1c(F)cncc1F 1756525841 FBTHMFIVFOEZAF-JTQLQIEISA-N 323.299 -0.020 30 20 DBED C=C[C@@](C)(CC)C(=O)NC[C@@H](CO)NC(=O)c1cnn(C)c1N 1756547829 KRNMVRJNGBIXSS-BONVTDFDSA-N 323.397 -0.189 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1csnn1)CCO2 1783046885 RKEFWSAAEGOTNV-ZDUSSCGKSA-N 306.347 -0.385 30 20 DBED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3c[nH]nc3C)C[C@@H]21 1790794004 SHPPNCZZQRJXIR-UBHSHLNASA-N 316.361 -0.055 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1[C@H]3COC[C@H]31)C2 1800456314 VNWWPQKTXIISQM-WYDCJEIBSA-N 304.346 -0.898 30 20 DBED CCNC(=O)N[C@H](C)C(=O)N1CC2(CCCN2C(=O)CC#N)C1 1842622390 IQGOUBYUJIKYOB-LLVKDONJSA-N 321.381 -0.189 30 20 DBED C#CCCC(=O)N1CCCC12CN(C(=O)C1=NNC(=O)C1)C2 1846999688 MCXQXXNKMHMLGZ-UHFFFAOYSA-N 302.334 -0.521 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)NC(C)C)CC1 53434956 QEBMXTBIOCEMGZ-LBPRGKRZSA-N 310.398 -0.654 30 20 DBED CC(C)Cn1c(N)c(C(=O)CN(C)CCC#N)c(=O)n(C)c1=O 98072215 UFNDICNTZNEEKE-UHFFFAOYSA-N 321.381 -0.187 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1CCN(C[C@H](C)O)[C@@H](C)C1 247378489 VQZOMGCWWMLRGW-AVGNSLFASA-N 312.414 -0.226 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NO[C@H]2CCCCO2)C1=O 263747304 WVDDTYAIAXFUOB-JTQLQIEISA-N 311.294 -0.462 30 20 DBED C#CCN(CC#N)C(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 282041336 QWNACSPOOICUHF-RYUDHWBXSA-N 323.374 -0.993 30 20 DBED C#CCNC(=O)[C@@H](C)Nc1cccc(C(=O)NCC(=O)NC)c1 283573930 QOJPPXUGHIBCEL-LLVKDONJSA-N 316.361 -0.288 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1CC[C@H]2[C@@H](C1)NC(=O)N2C 285732284 KMQZLUHGVVXWDU-AXFHLTTASA-N 309.370 -0.515 30 20 DBED CS(=O)(=O)N1CC[C@@H](C/N=C(/O)N[C@@H]2[C@H]3COC[C@H]32)C1 329940978 BXLQOTVGBJMVBB-UKKRHICBSA-N 303.384 -0.584 30 20 DBED CC(C)COC[C@H](O)CNS(=O)(=O)N1CCO[C@H](C#N)C1 337085496 DKCCVRIEZBEEOG-VXGBXAGGSA-N 321.399 -0.921 30 20 DBED CCOC[C@@H](O)CNS(=O)(=O)N(CCC#N)CCOC 337093477 NNTNNHMDFWZMBX-NSHDSACASA-N 309.388 -0.920 30 20 DBED CCN(CCC#N)S(=O)(=O)NC[C@@H](CO)[C@H]1CCOC1 337145172 DPWVXUGMOQLVBM-RYUDHWBXSA-N 305.400 -0.299 30 20 DBED CC[C@H](C)N(CC(=O)OC)S(=O)(=O)N1CCO[C@@H](C#N)C1 337215157 YBQFUGPYTCTKRW-QWRGUYRKSA-N 319.383 -0.271 30 20 DBED C[C@@H](NC(=O)C(=O)N1CCC(C#N)CC1)[C@@H](C)N1CCOCC1 343336577 OWVBIMUKUFRRMX-CHWSQXEVSA-N 322.409 -0.026 30 20 DBED CN(CCS(=O)(=O)c1ccc(C#N)cn1)[C@H]1CCNC1=O 343695805 SFTVPJBHIRSQGU-NSHDSACASA-N 308.363 -0.453 30 20 DBED Cc1cc(NC(=O)C(=O)N2CCOC[C@H](C)C2)nn1CCC#N 349300007 JRCRFEPQNBOPEZ-LLVKDONJSA-N 319.365 0.539 30 20 DBED CCOC[C@@H](O)CNC(=O)CNC(=O)c1ccc(C#N)cc1 353624708 NRKUDTUNPSVJGC-ZDUSSCGKSA-N 305.334 -0.198 30 20 DBED C[C@H]1CN(C[C@@H](C)O)CCN1S(=O)(=O)N(C)CCC#N 408422389 QTTGAFMCAYIRFZ-NWDGAFQWSA-N 304.416 -0.536 30 20 DBED O=C(CNS(=O)(=O)c1cccc(F)c1)NCC#CCO 412322084 BDIFJMRXVOUTGX-UHFFFAOYSA-N 300.311 -0.784 30 20 DBED CCCC[C@H](NS(=O)(=O)N1CCO[C@H](C#N)C1)C(=O)O 417514498 YGZCZOSPXSNDLK-ZJUUUORDSA-N 305.356 -0.311 30 20 DBED C=C[C@H](CO)NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 426859241 OAGRRQIQAAOLBS-MRVPVSSYSA-N 319.273 -0.146 30 20 DBED COC(=O)[C@@H](C)CS(=O)(=O)NCC1CCN(CC#N)CC1 427775131 CELWYYCCGVZILX-NSHDSACASA-N 317.411 -0.050 30 20 DBED CNS(=O)(=O)CCNC(=O)c1ncc(C#N)cc1Cl 440152085 DIKBXAYDXALAJD-UHFFFAOYSA-N 302.743 -0.114 30 20 DBED CCO[C@H]1C[C@H]1NC(=O)C(=O)Nc1cc(C)n(CCC#N)n1 567117273 MVBDCWYCDMVWOQ-MNOVXSKESA-N 305.338 0.337 30 20 DBED CC(C)NC(=O)C(=O)N1CCN(C(=O)NCC2(C#N)CC2)CC1 567668943 XLVFQHMVLHOSHG-UHFFFAOYSA-N 321.381 -0.331 30 20 DBED CN(CCC#N)C[C@@H](O)CN[C@@H]1CCN(c2cnn(C)c2)C1=O 568975999 ORNQRGWTTPXUAJ-UONOGXRCSA-N 320.397 -0.679 30 20 DBED N#Cc1ccc(OC[C@H](O)CN2CC[C@H](CO)[C@H](O)C2)cc1 570884021 JGSABOATFUSEDY-IIAWOOMASA-N 306.362 -0.027 30 20 DBED CC(C)N1C[C@H](NS(=O)(=O)N2CCO[C@@H](C#N)C2)CC1=O 584666813 XRDJOOQEOMTMJK-MNOVXSKESA-N 316.383 -0.946 30 20 DBED Cn1c(N2C[C@H]3C[C@H](O)CC[C@H]3C2)c(C#N)c(=O)n(C)c1=O 591829830 JRXNYQMXFKJZNT-HBNTYKKESA-N 304.350 -0.447 30 20 DBED Cc1cc(NC(=O)C(=O)N2CCN(C)C(=O)[C@H]2C)ncc1C#N 594300017 ASGRHSNETWPFNT-SNVBAGLBSA-N 315.333 -0.111 30 20 DBED CC(C)N1CCN(C(=O)C(=O)N2CCN(CCC#N)CC2)CC1 601533945 SMHIQDXQBMVOME-UHFFFAOYSA-N 321.425 -0.403 30 20 DBED N#Cc1cccc(CS(=O)(=O)NCCN2C(=O)CNC2=O)c1 609598032 HGIIREBMWOOELR-UHFFFAOYSA-N 322.346 -0.471 30 20 DBED C=CCn1cc(C(=O)N2CCC[C@H](N3CCNCC3=O)C2)nn1 648110793 PBLNHQLBNSMCRV-LBPRGKRZSA-N 318.381 -0.500 30 20 DBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCCN1CCC1 752299443 NGFSJEGSWJWIID-UHFFFAOYSA-N 322.390 -0.453 30 20 DBED COC[C@H](NS(=O)(=O)c1cccc(Cl)c1C#N)C(N)=O 758479305 CKIZYPUAEGGJPX-VIFPVBQESA-N 317.754 -0.010 30 20 DBED C#C[C@@H](C)NC(=O)c1cnc2c(c1C)c(=O)n(C)c(=O)n2C 775383847 MHIICKSQAMFDRC-MRVPVSSYSA-N 300.318 -0.308 30 20 DBED C#CCOCCNC(=O)CNC(=O)c1ccc2c(c1)OCO2 784767301 AWSHLKVNVOBZRT-UHFFFAOYSA-N 304.302 -0.089 30 20 DBED C#CCOCCNC(=O)C(=O)Nc1cccc(OCC(N)=O)c1 785164611 LUFVMZKCTLTIEA-UHFFFAOYSA-N 319.317 -0.745 30 20 DBED N#CCOc1ccc(CC(=O)NC[C@H]2CC(C(N)=O)=NO2)cc1 787929671 JPBDSSPVXSDTDV-GFCCVEGCSA-N 316.317 -0.122 30 20 DBED CCNS(=O)(=O)[C@H]1CCN(S(=O)(=O)CC(C)(C)C#N)C1 790041741 BWALJSKLTFVCJF-JTQLQIEISA-N 323.440 -0.120 30 20 DBED C#CCN1CCN(C(=O)CN2C[C@@H](F)C[C@H]2C(=O)OC)CC1 796510914 GVJJLJZOCOONAI-STQMWFEESA-N 311.357 -0.651 30 20 DBED N#CCN1CCN(C(=O)[C@@H]2CNC(=O)C[C@@H]2C(F)(F)F)CC1 820146838 WCEVRDWCOUWTQB-ZJUUUORDSA-N 318.299 -0.031 30 20 DBED N#C[C@H]1CNC[C@H]1NC(=O)CNC(=O)Cc1cccc(F)c1 834490253 STZWPRRTUDPCQS-WCQYABFASA-N 304.325 -0.288 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCN(S(=O)(=O)NC(C)C)CC1 837699604 NRGBUIHHMBNBAH-LBPRGKRZSA-N 317.411 -0.588 30 20 DBED O=c1[nH]c2cc(F)c(S(=O)(=O)O[C@H]3CNOC3)cc2o1 845933751 LHVJLICSJJHGEO-YFKPBYRVSA-N 304.255 -0.131 30 20 DBED C#CCN1CCN(C(=O)CN[C@@H](CCO)C(F)(F)F)CC1 852085279 UHOZPFIGHCHWIL-NSHDSACASA-N 307.316 -0.333 30 20 DBED C#CCONC(=O)c1c(OC)ccc(S(N)(=O)=O)c1OC 855606883 QKXJFPQOVVCULO-UHFFFAOYSA-N 314.319 -0.354 30 20 DBED C#C[C@@H](NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)[C@@H]1CCCO1 860942423 JDWFBOWYQUZTGW-XQQFMLRXSA-N 314.407 -0.045 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N1CC(=O)N(C)C[C@@H]1C 875596395 MASQGPVJGFUPKB-RYUDHWBXSA-N 309.366 -0.780 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H]2C[C@H]1CN2[C@@H](C)C(=O)NCC#C 879354088 RHQXSVBWYKHRNI-AJNGGQMLSA-N 316.405 -0.979 30 20 DBED C#CCN1CCC[C@H](NC(=O)NCc2nnnn2C2CC2)C1 884179962 HLKLFNIKBFPNLI-NSHDSACASA-N 303.370 -0.095 30 20 DBED C#Cc1cccc(NC(=O)CNC(=O)Cn2cccnc2=O)c1 918646194 LXDNTESITMXEDT-UHFFFAOYSA-N 310.313 -0.021 30 20 DBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CCN(C(=O)CC(N)=O)C1 940683657 VRWDONJWOHBHNY-XUJVJEKNSA-N 323.393 -0.050 30 20 DBED Cc1nc(C(=O)N[C@@H]2CCN(C(=O)[C@H](C)C#N)C2)c(=O)[nH]c1C 941192195 PTSIGCGHLPVGTH-LDYMZIIASA-N 317.349 -0.123 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C2CN(Cc3ncccn3)C2)CC1 941348556 OKKPVMPNUPLOII-CYBMUJFWSA-N 314.393 -0.035 30 20 DBED C=C1CC(C)(C(=O)N2CC[C@@H](NC(=O)c3nnn(C)n3)C2)C1 942196452 YYVTVZGULREEJK-SNVBAGLBSA-N 304.354 -0.103 30 20 DBED C=CCn1cccc1C(=O)N[C@@H]1[C@H]2C[C@H]1N(C(=O)C(N)=O)C2 947354376 SQDHBZFROMFFOI-MVWJERBFSA-N 302.334 -0.512 30 20 DBED C[C@H](C(N)=O)N1CCOC2(CCN(C(=O)C#CC3CC3)CC2)C1 949358316 OMBLPIIEQAKKIZ-CYBMUJFWSA-N 319.405 -0.033 30 20 DBED C=CCN1CCOC2(CCN(C(=O)[C@H]3CNC(=O)N3)CC2)C1 949455142 UAEOWQHBGDIIQH-GFCCVEGCSA-N 308.382 -0.453 30 20 DBED CCN(C(=O)c1ccc(-n2cnnn2)cn1)C1CN(CC#N)C1 950983853 BEQBXIRZSYZPFT-UHFFFAOYSA-N 312.337 -0.273 30 20 DBED CN(C(=O)c1ccc(C#N)[nH]1)C1CCN(C(=O)CC(N)=O)CC1 953877200 XKHQQKAZQNHAHL-UHFFFAOYSA-N 317.349 -0.175 30 20 DBED C#CCN1CC(N(CC)C(=O)c2cc(=O)n3[nH]cnc3n2)C1 957134353 IZIMHEMCASNEEH-UHFFFAOYSA-N 300.322 -0.803 30 20 DBED N#CCN1C[C@H](CNC(=O)c2ccnc3c2CC(=O)N3)[C@@H](O)C1 958214503 IKBKVVOGGRXGBV-CABZTGNLSA-N 315.333 -0.878 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2CN(CC(N)=O)C[C@@H]2O)cc1 958308922 CXOJYXMLZAWSNH-KGLIPLIRSA-N 301.346 -0.824 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cnn3cc(C)cnc23)C1 958445821 ZHQOGCKQDMSLMC-GXTWGEPZSA-N 313.361 -0.307 30 20 DBED CC#CCN1C[C@H]2[C@H](NC(=O)[C@H](C)N3C(=O)CCC3=O)[C@H]2C1 960165476 KIZOQUBPDMUOGI-UUIJZJDISA-N 303.362 -0.406 30 20 DBED CC#CCN1CCCCC[C@H]1CNC(=O)[C@@H]1CC(=O)NC(=O)N1 969053123 DZOJHPHDZJEDHE-STQMWFEESA-N 320.393 -0.031 30 20 DBED CCc1ncoc1C(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 970410775 GJOWKMMURQUYQU-OLZOCXBDSA-N 317.345 -0.048 30 20 DBED C[C@@H](NC(=O)c1cn([C@H]2CCOC2)nn1)C1CN(CC#N)C1 970710200 HOMYNPDIQJIQKB-PWSUYJOCSA-N 304.354 -0.187 30 20 DBED C=CCN1C[C@H]2CC[C@H]1CN2C(=O)C1CC2(C1)NC(=O)NC2=O 971911489 BVIBSAWARTYBJI-LZUBYRBGSA-N 318.377 -0.164 30 20 DBED C#CCCN1CCO[C@]2(CCN(C(=O)Cn3cncn3)C2)C1 972667899 SDLZAQZORDGVSD-OAHLLOKOSA-N 303.366 -0.395 30 20 DBED N#CCN1CCO[C@]2(CCN(C(=O)c3c[nH]c(C(N)=O)c3)C2)C1 972677068 OZQCLTLGGAVWCF-OAHLLOKOSA-N 317.349 -0.446 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCN(C(=O)C(N)=O)C1 975559291 PEIFNAKMEXIXSU-UTUOFQBUSA-N 309.366 -0.582 30 20 DBED N#CCN1C[C@@H]2C(CNC(=O)c3nccnc3C(N)=O)[C@H]2C1 979041158 AAPVOJVRCIIOQW-NXEZZACHSA-N 300.322 -0.993 30 20 DBED CC[C@@H]1[C@@H](NC(=O)c2nnn(C)n2)CCN1C(=O)[C@@H](C)C#N 985288864 WILLCFIHFAOFMT-LPEHRKFASA-N 305.342 -0.521 30 20 DBED C=C(C)CN[C@H]1C[C@H](C)N(C(=O)CN2C(=O)C(=O)N(C)C2=O)C1 989513888 HWKQXWLJWTZTSB-QWRGUYRKSA-N 322.365 -0.438 30 20 DBED C#CCN1CCC(C(=O)N2CC[C@H](NC(C)=O)[C@H](O)C2)CC1 991143106 ARUPPGXBLYWCPB-LSDHHAIUSA-N 307.394 -0.571 30 20 DBED Cc1cccn(CC(=O)NC2CN(C(=O)C#CC3CC3)C2)c1=O 991498936 AXSQGGVLDXHHOE-UHFFFAOYSA-N 313.357 -0.103 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CN(C(=O)Cn3cncn3)C[C@@]2(C)C1 993353158 JIIVQTIVGXARAU-JMSVASOKSA-N 316.365 -0.255 30 20 DBED C#Cc1ccc(C(=O)N2CC(NC(=O)c3cnn(C)n3)C2)cn1 995693378 IBDWEXSCTKDBQS-UHFFFAOYSA-N 310.317 -0.554 30 20 DBED CNC(=O)CN1CC=C(CNC(=O)c2ccc(C#N)[nH]2)CC1 1000594201 MZECQKOGNABWEQ-UHFFFAOYSA-N 301.350 -0.006 30 20 DBED C=CCN[C@@H]1CCCN(C(=O)CN2CCS(=O)(=O)CC2)C1 1000913870 WDMPKNHOPDQJDR-CYBMUJFWSA-N 315.439 -0.517 30 20 DBED C=CCN1CC[C@H](N2CCC[C@H](NC(=O)c3nc[nH]n3)C2)C1=O 1008923946 JQYVNFUTYNGKJH-RYUDHWBXSA-N 318.381 -0.214 30 20 DBED C=C1CCC(C(=O)N[C@H](C)[C@@H]2CN(C(=O)C(N)=O)CCO2)CC1 1009748477 QJTIIWYYGJMEBI-YPMHNXCESA-N 323.393 -0.050 30 20 DBED C[C@@H]1C[C@@H](CNC(=O)c2ccc(C#N)[nH]2)CN1C(=O)CC(N)=O 1010062764 DABRXZNAAXLQAL-ZJUUUORDSA-N 317.349 -0.271 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)C1 1015993339 XNQYLCVDMALEDO-JTQLQIEISA-N 300.322 -0.755 30 20 DBED C=CCn1cc(C(=O)N2C[C@H](NC(=O)C(N)=O)CC[C@H]2C)nn1 1018377589 DLMNIFRKUXRRQG-NXEZZACHSA-N 320.353 -0.941 30 20 DBED N#Cc1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)CC3CC3)C2)[nH]1 1022882732 AVZYGCPHXVBMGE-CHWSQXEVSA-N 302.334 -0.012 30 20 DBED C=CCOc1cccnc1C(=O)N[C@H]1C[C@@H](NCC(N)=O)C1 1022957150 KMTHCGFVTUQFGY-PHIMTYICSA-N 304.350 -0.018 30 20 DBED Cc1cc(CC(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2O)no1 1023220540 BGSRNRRZPRJFCO-ZIAGYGMSSA-N 317.345 -0.373 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2ccc(O)nc2)C1 1024715011 VLUGHYGVFOZAQS-YUSALJHKSA-N 318.333 -0.823 30 20 DBED CC1(C)NC(=O)N(CC(=O)NC2CCC(NCC#N)CC2)C1=O 1026601632 VCZMBNBCOSGXKQ-UHFFFAOYSA-N 321.381 -0.143 30 20 DBED N#CCN1CC[C@H](CNC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 1028536202 NZVOLYRBFJQVKL-VXGBXAGGSA-N 316.365 -0.276 30 20 DBED CNC(=O)CN1CCO[C@@H](CNC(=O)c2c[nH]c(C#N)c2)C1 1035335609 BYFVMCQILBZMQN-LBPRGKRZSA-N 305.338 -0.937 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)[C@H]2CC(=O)N(CCC)C2)C1 1035523317 QKKFPRBJNVSGBA-KBPBESRZSA-N 307.394 -0.305 30 20 DBED C=CCN1CC2(CCN(C(=O)CN3CCNC(=O)C3)CC2)C1 1035765384 YERJBUREYWPCDR-UHFFFAOYSA-N 306.410 -0.471 30 20 DBED CC(=O)N1CCOC[C@@H]1C(=O)N1CCC2(CC1)CN(CC#N)C2 1035853993 TWUJHNRKCLTFPX-CQSZACIVSA-N 320.393 -0.318 30 20 DBED CC#CCN1CC[C@H]2CN(C(=O)Cn3cnnc3O)CC[C@@H]21 1036692922 OSXBCXKYOANDCH-STQMWFEESA-N 303.366 -0.070 30 20 DBED C#CCN[C@@H]1CCN(C(=O)Cn2nc(C)n(C)c2=O)C[C@@H]1CC 1037963989 RVIBQUZYBMDXST-UONOGXRCSA-N 319.409 -0.260 30 20 DBED C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cn(C)c(=O)nc1O 1039468812 INRATUXKAYAYFN-NEPJUHHUSA-N 316.361 -0.202 30 20 DBED CC(C)C#CC(=O)NC[C@@]1(O)CCN(C(=O)c2cnn(C)n2)C1 1039664436 QCYGZODJFZMFMG-HNNXBMFYSA-N 319.365 -0.832 30 20 DBED CCCN(C)CC(=O)N1CC[C@](O)(CNC(=O)[C@H](C)C#N)C1 1040759049 DNZIIFXWZVXXPQ-DOMZBBRYSA-N 310.398 -0.433 30 20 DBED C#CCOc1ncccc1C(=O)N1CC(O)(CNC(C)=O)C1 1041046402 BIEMRIWRPVKZIK-UHFFFAOYSA-N 303.318 -0.583 30 20 DBED C#CCC1(C(=O)N2CC(O)(CNC(=O)COC)C2)CCOCC1 1041160487 KZHJOALPYCPAAD-UHFFFAOYSA-N 324.377 -0.858 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)[C@H]2CCCOC2)C1 1041989487 MGKYURUQVIZJTP-LBPRGKRZSA-N 312.366 -0.695 30 20 DBED C=CCOCCCC(=O)NCC1(O)CN(C(=O)c2ncc[nH]2)C1 1042311701 FKGKGTLZCUQMOO-UHFFFAOYSA-N 322.365 -0.304 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)C[C@H](C)OC)C1 1043032791 ICUMONCAVMITES-LBPRGKRZSA-N 312.366 -0.859 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)[C@@H]2CC23CCC3)C1 1043075178 TZUBTDMVEIFOMT-STQMWFEESA-N 320.389 -0.096 30 20 DBED C=C(C)C(C)(C)C(=O)N1CC(O)(CNC(=O)Cn2nccn2)C1 1043213684 GFXDDJIXKGWPPC-UHFFFAOYSA-N 321.381 -0.430 30 20 DBED CCN(C)C(C)(C)C(=O)NCC1(O)CN(C(=O)[C@@H](C)C#N)C1 1043612155 DCKFAFRAGAZCFK-NSHDSACASA-N 310.398 -0.434 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCC(=O)NC2)C1 1043794380 GIIAZKSDWRDXQT-LLVKDONJSA-N 309.366 -0.832 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)[C@@]2(C)CCCOC2)C1 1045546022 GUPSRFPDEJMLBO-RISCZKNCSA-N 309.366 -0.348 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)CCc2ncccn2)C1 1045546028 GWLFWVUDSWOEHC-LLVKDONJSA-N 317.349 -0.742 30 20 DBED Cn1cc(C(=O)NC2(C)CCN(CC#N)CC2)c(=O)n(C)c1=O 1045576390 LUMFFTSHAPHKCZ-UHFFFAOYSA-N 319.365 -0.808 30 20 DBED C=CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)CCN(C)C)C1 1045720242 OHYYVILSXXFSGN-GFCCVEGCSA-N 313.398 -0.781 30 20 DBED N#CCN1[C@H]2CC[C@H]1CN(C(=O)C[C@@H]1NC(=O)NC1=O)CC2 1045796083 ITPKNIHRCXUWOX-DCAQKATOSA-N 305.338 -0.827 30 20 DBED Cn1cc(CC(=O)N2CCN([C@@H]3CCN(CC#N)C3)CC2)cn1 1046012513 POSLQCXQTMETSM-OAHLLOKOSA-N 316.409 -0.295 30 20 DBED N#CCN1CC[C@@H](N2CCN(C(=O)C[C@H]3COC(=O)C3)CC2)C1 1046020315 QHQNVHOBHPZNNN-ZIAGYGMSSA-N 320.393 -0.318 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccnc3ccnn23)C1 1047406707 MVSOPWTWZHNIEW-KBPBESRZSA-N 313.361 -0.130 30 20 DBED C=C(C)CN1C[C@H](O)[C@@H](N(C)C(=O)c2nc3ncccn3n2)C1 1047568570 JMVQBRWPIQZJCU-RYUDHWBXSA-N 316.365 -0.183 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)Cn2nc(C)ccc2=O)C1 1047605593 LOIWRQBXLMFLMN-STQMWFEESA-N 306.366 -0.759 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C(N)=O)ccn2)C1 1047659914 YAZUURWCLRWYPU-KBPBESRZSA-N 316.361 -0.679 30 20 DBED C=CCOCC(=O)N[C@H](C)[C@@H]1CCN(C(=O)c2cn(C)nn2)C1 1050613108 VYWLBAPLMIMKKK-VXGBXAGGSA-N 321.381 -0.016 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)c1cnc(C)nc1OC 1050946333 GHIJCLVBQVPUAZ-LBPRGKRZSA-N 304.350 -0.143 30 20 DBED N#CCN1CCOC[C@H]1CNC(=O)c1ccc2nn[nH]c2n1 1050949698 SLQYGUFFBZHQMV-SECBINFHSA-N 301.310 -0.693 30 20 DBED C=CCCN1CCOC[C@H]1CNC(=O)[C@@H]1CCS(=O)(=O)N1 1051247342 FLJXZARZBBBLNW-NEPJUHHUSA-N 317.411 -0.929 30 20 DBED N#Cc1ccc(N2CC[C@H](NC(=O)c3cnn[nH]3)[C@H](O)C2)cn1 1051804780 AFRVGLGRYMNIBR-WCQYABFASA-N 313.321 -0.559 30 20 DBED C=CCOCC(=O)N1C[C@H](CNC(=O)c2cnn(C)n2)[C@@H](C)C1 1052220607 LCDHRYJOTNSYGG-RYUDHWBXSA-N 321.381 -0.158 30 20 DBED C#CCOCCC(=O)N1C[C@H](C)[C@H](CNC(=O)CC(N)=O)C1 1052592639 IFFHEAYEGYPKLL-NWDGAFQWSA-N 309.366 -0.888 30 20 DBED C[C@H](C#N)C(=O)N1CCOC2(CN(CCn3cccn3)C2)C1 1053187024 CTKRFYFGXXPJJH-CYBMUJFWSA-N 303.366 -0.044 30 20 DBED C#CCN1CC2(CC[C@@H](CNC(=O)c3cc(=O)n(C)o3)O2)C1 1053595071 YBZQTBGAIPTDDM-NSHDSACASA-N 305.334 -0.425 30 20 DBED CC(=O)NCC(=O)N1C[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2C1 1055132454 JTIMQRCIAYRKHJ-OKILXGFUSA-N 303.362 -0.547 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@](CO)(NC(=O)c2cn(C)cn2)C1 1055882410 FQCLGPHPWMZVFL-NHYWBVRUSA-N 319.365 -0.337 30 20 DBED C#CCCCC(=O)N[C@]1(CO)CCCN(C(=O)c2cnon2)C1 1055910352 MQVKGMYNPBQEST-OAHLLOKOSA-N 320.349 -0.044 30 20 DBED N#Cc1nccc(N2C[C@@H]3C(NC(=O)Cc4ncc[nH]4)[C@H]3C2)n1 1056276715 PDCALULJKGKLQZ-UWVGGRQHSA-N 309.333 -0.135 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)[C@H](C)OCC=C 1057196790 WLZZQHKUADJXPT-ZDUSSCGKSA-N 314.382 -0.283 30 20 DBED CC(C)[C@@H](C(=O)NCCN(CCO)C(=O)C#CC1CC1)N(C)C 1057533791 WWIRGEOUWWBYRG-INIZCTEOSA-N 323.437 -0.077 30 20 DBED COCC1(C(=O)NCCN(CCO)C(=O)C#CC2CC2)CC1 1057538172 VOYPOEZROXKHQM-UHFFFAOYSA-N 308.378 -0.237 30 20 DBED Cc1nn(C)c(C)c1C(=O)N(CCO)CCNC(=O)[C@H](C)C#N 1058197779 LIIDOAYAFHZOLN-SNVBAGLBSA-N 321.381 -0.253 30 20 DBED C=C[C@H](CC)CC(=O)N(CCO)CCNC(=O)Cn1cncn1 1058468555 LPQFOAPEDDHOIO-CYBMUJFWSA-N 323.397 -0.183 30 20 DBED CC(C)C#CC(=O)NCC[C@@H]1CCN(C(=O)Cn2ncnn2)C1 1059694701 DGHXRIBFDVHZDQ-CYBMUJFWSA-N 318.381 -0.313 30 20 DBED N#Cc1ccc(N[C@H]2C[C@@H](NC(=O)[C@H]3CNC(=O)N3)C2)nc1 1059803003 QCQGBEXSFKPQTH-OUAUKWLOSA-N 300.322 -0.306 30 20 DBED C=CCOCC(=O)N1CCOC[C@@H]1CNC(=O)CCOCC 1061405057 IDBOJSSUEUIJBU-ZDUSSCGKSA-N 314.382 -0.041 30 20 DBED Cn1cnc(C(=O)N2CCOC[C@@H]2CNC(=O)C#CC2CC2)c1 1061569485 GBJAXKTYRBOYKW-ZDUSSCGKSA-N 316.361 -0.209 30 20 DBED Cn1cc(C(=O)N2CCOC[C@H]2CNC(=O)C#CC2CC2)nn1 1061570259 XGYOTUJRACXVJN-GFCCVEGCSA-N 317.349 -0.814 30 20 DBED N#Cc1ccc(N2CC[C@@H](CNC(=O)[C@H]3COC(=O)N3)C2)nn1 1061591205 GJCGYFDCEXDSFG-GXSJLCMTSA-N 316.321 -0.601 30 20 DBED C=CCOCC(=O)N1CCOC[C@H]1CNC(=O)c1nc(C)c[nH]1 1061618981 MLQFYMLPKVRGCH-GFCCVEGCSA-N 322.365 -0.122 30 20 DBED N#Cc1nccc(N2CCO[C@H](CNC(=O)c3cnco3)C2)n1 1063647194 HYEODCACACPIRI-SNVBAGLBSA-N 314.305 -0.029 30 20 DBED C=CCCC(=O)NC1(CNC(=O)CN2CCNC(=O)C2)CCC1 1063896878 ANOCGYPJPAMGFS-UHFFFAOYSA-N 322.409 -0.461 30 20 DBED C=CCCC(=O)N1CCO[C@H](CNC(=O)[C@@H]2CCNC(=O)C2)C1 1064956265 UZLWRNVGEREDJO-CHWSQXEVSA-N 323.393 -0.178 30 20 DBED N#Cc1nccc(N2C[C@H]3C[C@@H](NC(=O)C(N)=O)C[C@H]2C3)n1 1065553971 RRBOFMNYTPLWNO-IVZWLZJFSA-N 300.322 -0.693 30 20 DBED C=CCCCC(=O)N1CC[C@H](N2CCN(C(=O)C(N)=O)CC2)C1 1065713466 UDPRABZYWPNBAL-ZDUSSCGKSA-N 322.409 -0.427 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CN(c3ccc4nnnn4n3)C[C@@H]2C1 1065975344 ZXBSBJOWMUBHQQ-MXWKQRLJSA-N 312.337 -0.426 30 20 DBED N#Cc1nccnc1NC[C@H]1CN(C(=O)c2cnn[nH]2)CCO1 1066691021 IZOHEFFXJXNNNZ-VIFPVBQESA-N 314.309 -0.581 30 20 DBED C=CCO[C@@H](C)C(=O)N(C)CCCN(C)C(=O)CNC(N)=O 1066776518 WXACBRPFXSLZNJ-NSHDSACASA-N 314.386 -0.447 30 20 DBED Cc1cc(C#N)nc(N2CC[C@H](C)[C@H](NC(=O)C(N)=O)C2)n1 1067988667 FMYCZELMYZCVJH-GZMMTYOYSA-N 302.338 -0.527 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCCN(C)C(=O)CCn1cnnn1 1068026766 NCQKRCVRXFMLPM-NSHDSACASA-N 307.358 -0.470 30 20 DBED CCc1nc(C#N)cc(N2C[C@H](NC(=O)C(N)=O)C(C)(C)C2)n1 1068133705 RFDUFYUWHBRHOT-JTQLQIEISA-N 316.365 -0.273 30 20 DBED Cc1cc(C#N)nc(N[C@H]2CN(C(=O)C(N)=O)CC2(C)C)n1 1069610271 NFFWWTGUZRVHSU-JTQLQIEISA-N 302.338 -0.209 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC[C@@]2(CCN(C(=O)C(N)=O)C2)C1 1069750803 KRCAIUYIFUINOX-BLLLJJGKSA-N 321.377 -0.649 30 20 DBED C=C[C@](C)(O)CC(=O)NC1(CNC(=O)COC)CCOCC1 1070093291 MSZOYYUXAUWEDH-AWEZNQCLSA-N 314.382 -0.259 30 20 DBED C#CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2nonc2C)C1 1070108073 HCKZSAQUFTUXGE-NEPJUHHUSA-N 315.337 -0.352 30 20 DBED C#CCN1CC[C@@H](c2n[nH]cc2CNC(=O)c2ncn(C)n2)C1 1070408659 YFTZUNHWVKBFGF-LLVKDONJSA-N 313.365 -0.109 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)[C@@H]4CCC(=O)N4)C[C@@]3(C1)O2 1070881986 HQNKGACLCQZPCW-NFFDBFGFSA-N 303.362 -0.800 30 20 DBED CC#CCN1C[C@H](NC(=O)Cn2ncn(C)c2=O)CC[C@@H]1C 1071625333 OBZMLBZECIDSEQ-QWHCGFSZSA-N 305.382 -0.426 30 20 DBED C[C@H]1CN(C(=O)CSCC#N)C[C@@H]1NC(=O)c1cnn(C)n1 1071661534 LJPIKKSSAWYIEG-ONGXEEELSA-N 322.394 -0.351 30 20 DBED C[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1NC(=O)CNC(N)=O 1071918159 KXQNDUIRDGDMQX-GZMMTYOYSA-N 318.337 -0.869 30 20 DBED C[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1NC(=O)C1(NC(N)=O)CC1 1072049424 SYNYALHXRNYOOL-JQWIXIFHSA-N 318.377 -0.436 30 20 DBED CNC(=O)CN1CCC2(C1)CN(C(=O)c1ccc(C#N)[nH]1)C2 1072633801 OORHMPFBPXUQSA-UHFFFAOYSA-N 301.350 -0.220 30 20 DBED C=CCCN1CCC2(C1)CN(C(=O)CN1C(=O)CN(C)C1=O)C2 1073412211 GIFPIPJVHBZWII-UHFFFAOYSA-N 320.393 -0.009 30 20 DBED N#CCN1CCCO[C@@H](CNC(=O)c2ccc(C(N)=O)cn2)C1 1073911241 KTWHRGCUOMWGFH-LBPRGKRZSA-N 317.349 -0.475 30 20 DBED COC(=O)NCC(=O)NCC[C@H](C)NC(=O)c1cc(C#N)c[nH]1 1075762799 VMPJUAQVJNRSHJ-VIFPVBQESA-N 321.337 -0.133 30 20 DBED C=C(C)CN1C[C@@H]2CCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)[C@@H]2C1 1076299388 WPINCXGYJHIAFH-SDDRHHMPSA-N 306.366 -0.307 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN(C(=O)CC)C2)C1 1077047578 LKEACJWKXHRMQO-RBSFLKMASA-N 321.421 -0.180 30 20 DBED C=C[C@@](C)(O)CC(=O)N(CC)C1CN(C(=O)Cc2nc[nH]n2)C1 1079689064 YLMOBTLHMYCHDL-OAHLLOKOSA-N 321.381 -0.266 30 20 DBED C#CCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)CC(=O)NC)C1 1079774532 FPAICOAKFFKQLA-NSHDSACASA-N 309.366 -0.780 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(N(CC)C(=O)c2nnn(C)n2)C1 1080271660 UISQEFANQIPMAV-AWEZNQCLSA-N 322.369 -0.790 30 20 DBED C=C[C@](C)(O)CC(=O)NC1(CO)CCN(C(=O)COC)CC1 1080835892 UJPXLNMSLNECSZ-AWEZNQCLSA-N 314.382 -0.570 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)Cn2cccn2)C[C@H]1O 1081332373 FGCGDHDGZNRUAA-CHWSQXEVSA-N 306.366 -0.215 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)c2ccc(O)nn2)C[C@H]1O 1081332957 NCHNYRHCNSXNQA-CMPLNLGQSA-N 320.349 -0.303 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2cnn(C)c2)C[C@H]1O 1081344505 QVKFAIFONVPDCC-DGCLKSJQSA-N 322.365 -0.828 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@H](CNC(=O)C#CC(C)C)C1 1081462752 FDMUUKZOJSPVNW-KGLIPLIRSA-N 308.378 -0.216 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)c2cncnc2)C[C@H]1O 1081463446 NWKIMCILHNZWCU-ZIAGYGMSSA-N 316.361 -0.315 30 20 DBED C=CCCOCC(=O)NC[C@@H]1CN(C(=O)c2cnco2)C[C@H]1O 1081569056 KDFWKVCEMVXWSS-VXGBXAGGSA-N 323.349 -0.184 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cnon2)C1 1081684648 IVPJAKSNIZCQIX-CMPLNLGQSA-N 306.322 -0.722 30 20 DBED Cc1csc(=O)n1CC(=O)N1CCO[C@@H]2CN(CC#N)C[C@@H]21 1083272464 OWSOIAPZMPZMIJ-NWDGAFQWSA-N 322.390 -0.347 30 20 DBED Cc1noc(CN2C[C@H](O)[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)n1 1083392269 ZIAWZDKXRWCMGF-NEPJUHHUSA-N 316.321 -0.447 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCCCN2C(=O)CC)C1 1083484104 VFNMUWYUMKMBIX-MCIONIFRSA-N 307.394 -0.428 30 20 DBED C#CCN1C[C@H](NC(=O)[C@@H]2COC(=O)N2)CC2(CCOCC2)C1 1089939181 MSORLCZKWCOCDT-OLZOCXBDSA-N 321.377 -0.285 30 20 DBED C=C(C)CCN1CC[C@H](NC(=O)Cn2cnnc2O)[C@H](O)C1 1090198136 VJBVOJBIIYWODF-NWDGAFQWSA-N 309.370 -0.499 30 20 DBED C=CCCN1CC[C@H](NC(=O)c2cn(CCOC)nn2)[C@H](O)C1 1090259433 UMMQOYFWUKQKFI-GXTWGEPZSA-N 323.397 -0.334 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)c2cc(=O)n(C)cn2)[C@@H](O)C1 1090337534 SADLQMSSOKQZCT-YPMHNXCESA-N 306.366 -0.479 30 20 DBED C=CCN1CC[C@H](NC(=O)c2c(C)c(C)nn(C)c2=O)[C@@H](O)C1 1090480938 XMSUDDLMVFSUID-STQMWFEESA-N 320.393 -0.252 30 20 DBED C=CCN1CC[C@H](NC(=O)c2ccc(C(=O)NC)nc2)[C@H](O)C1 1090734099 JTIWPUWVQCBHSI-GXTWGEPZSA-N 318.377 -0.208 30 20 DBED CC(=O)N1CCOC[C@@H]1C(=O)NC[C@@H]1CN(CC#N)C[C@H]1C 1093211646 XZYRMTDMHFJZFG-MRVWCRGKSA-N 308.382 -0.559 30 20 DBED COC(=O)NCC(=O)NC1[C@H]2CN(c3cncc(C#N)n3)C[C@H]12 1093238557 DOLQVTWJAFCMQF-UWVGGRQHSA-N 316.321 -0.745 30 20 DBED CCn1nc(C(=O)NCCNc2cnc(C#N)cn2)ccc1=O 1093790497 OECFAHQVRWJUJA-UHFFFAOYSA-N 313.321 -0.233 30 20 DBED CC#CCN1CC(n2cc(CNC(=O)[C@@H]3CCC(=O)N3)nn2)C1 1094335794 NOXQGRFYKWXXTF-ZDUSSCGKSA-N 316.365 -0.947 30 20 DBED Cc1ncoc1C(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1 1094721472 BPMXLTBMABLDJX-JTQLQIEISA-N 303.322 -0.479 30 20 DBED N#Cc1ccc(N2CC[C@H](NC(=O)C3(C(N)=O)CC3)C2)nn1 1096476968 VKDSHUIHHAGOLJ-JTQLQIEISA-N 300.322 -0.691 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@H](Nc2nccn3nnnc23)C1 1096962025 HNRGDSFBEPSCAD-QWRGUYRKSA-N 315.337 -0.430 30 20 DBED N#Cc1cncc(NC2CCC(NC(=O)CNC(N)=O)CC2)n1 1097612199 PSNNHNVGKNWIKM-UHFFFAOYSA-N 317.353 -0.144 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H](C)Nc1nc(C)cc(C#N)n1 1097768555 MRWQYWIVGXNUJR-NSHDSACASA-N 314.349 -0.287 30 20 DBED C[C@@H](CNC(=O)Cn1cnnc1O)Nc1ccc(C#N)nc1 1097787288 DYRXMKPBZIOXQN-VIFPVBQESA-N 301.310 -0.133 30 20 DBED C[C@@H](CC(=O)NC[C@H](C)Nc1cncc(C#N)n1)NC(N)=O 1098075962 JLWSLGXZOWJTSP-IUCAKERBSA-N 305.342 -0.288 30 20 DBED CC#CCN(CCO)C1CCN(C(=O)CCn2ccnn2)CC1 1098356599 LFWLYVLUZRYGDG-UHFFFAOYSA-N 319.409 -0.023 30 20 DBED C[C@@H](CCNC(=O)[C@@H]1COCCO1)N=c1cc[nH]c(C#N)n1 1098901909 WXQNAGBCRHLXIO-QWRGUYRKSA-N 305.338 -0.508 30 20 DBED CC1(C)CC[C@@H](CNC(=O)CC(N)=O)N(CC(=O)NCC#N)C1 1098994237 VBZOUSHXTBKKKR-NSHDSACASA-N 323.397 -0.892 30 20 DBED Cc1nnc(CN2CC[C@H](NC(=O)C#CC3CC3)[C@@H](O)C2)o1 1099825803 AOEAGNQHASIOLM-STQMWFEESA-N 304.350 -0.157 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)CCN2C(=O)CCC2=O)[C@H](O)C1 1099908454 DMKXPLIZJNLXCY-QWHCGFSZSA-N 323.393 -0.347 30 20 DBED CCC[C@@H](OC)C(=O)NCC1CC(NCC(=O)NCC#N)C1 1100560368 DVKICJPAFRTYJS-WXRRBKDZSA-N 310.398 -0.074 30 20 DBED CCN(CCNC(=O)C(C)(C)C(N)=O)c1nccnc1C#N 1100639742 XJDFYRCIWNLKLC-UHFFFAOYSA-N 304.354 -0.198 30 20 DBED CNC(=O)NCC(=O)NC[C@H]1CCCN1c1ccc(C#N)cn1 1100915138 LPLROHRIXYXYOR-GFCCVEGCSA-N 316.365 -0.033 30 20 DBED C=CCO[C@@H](C)C(=O)NCC1CC(NCc2nc(=O)n(C)[nH]2)C1 1101057077 HEGFSWHZCTVDPV-UNXYVOJBSA-N 323.397 -0.316 30 20 DBED CSCC(=O)N1C[C@H]2CN(CC(=O)NCC#N)C[C@@]2(C)C1 1101114118 UDVUYOBJKDMXKV-RISCZKNCSA-N 310.423 -0.231 30 20 DBED Cc1cc(=NCCN(C)C(=O)Cn2cnnc2O)c(C#N)c[nH]1 1101553308 NZXNUTIDHCGJIW-UHFFFAOYSA-N 315.337 -0.449 30 20 DBED C#CCNC(=O)CNCC(C)(C)C1CCN(C(=O)C(N)=O)CC1 1101568800 IVAHBDRYDWKJCR-UHFFFAOYSA-N 322.409 -0.925 30 20 DBED CN(CCNc1ccc(C#N)nn1)C(=O)[C@@H]1CCS(=O)(=O)C1 1101848650 DLJBRSLIACXIFP-SNVBAGLBSA-N 323.378 -0.347 30 20 DBED CN(CCNc1nccnc1C#N)C(=O)[C@@H]1CC[C@@H]1C(N)=O 1101893222 TZFAJCFECKEKTE-VHSXEESVSA-N 302.338 -0.270 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1102248314 GIYAFRXFNQMGSG-FAHYXWLWSA-N 319.405 -0.688 30 20 DBED C[C@@H]1CCCC[C@@]1(CN=c1cc[nH]c(C#N)n1)NC(=O)C(N)=O 1103606840 CGJLACIBJJKNMH-BMIGLBTASA-N 316.365 -0.268 30 20 DBED Cc1nc(CC(=O)NC[C@@H](C)CN=c2cc[nH]c(C#N)n2)n[nH]1 1103950934 JCHSLFUETJQXFX-VIFPVBQESA-N 314.353 -0.396 30 20 DBED CO[C@H](C)C(=O)NC[C@@H]1CN(c2ccnc(C#N)n2)CCO1 1104293244 QIPLWHNZWKEPBM-GHMZBOCLSA-N 305.338 -0.295 30 20 DBED CCn1ncc(C(=O)N(C)[C@H](C)CN=c2cc[nH]c(C#N)n2)n1 1104540018 OIFIAHMJQRQRQB-SNVBAGLBSA-N 314.353 -0.046 30 20 DBED C#CCNCc1cn(C2CN(C(=O)C3CCOCC3)C2)nn1 1105133142 QVNIZZALJRYFEW-UHFFFAOYSA-N 303.366 -0.189 30 20 DBED CN(CCN(C)c1cncc(C#N)n1)C(=O)[C@H]1C[C@H]1C(N)=O 1105560450 RUGCENLTZWCTKG-MNOVXSKESA-N 302.338 -0.636 30 20 DBED Cc1cc(=NC[C@H](O)CNC(=O)c2cocn2)c(C#N)c[nH]1 1105750786 QLXGJEGHFVPIGG-NSHDSACASA-N 301.306 -0.126 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)Cc2cccnc2)nn1 1105819762 LEGQTSHXBIOERE-CYBMUJFWSA-N 312.333 -0.125 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](O)CNC(=O)c2ccn(C)n2)n1 1105856559 VBBWUUYQPLBXNQ-NSHDSACASA-N 315.337 -0.407 30 20 DBED CN1CC[C@H](C(=O)NC[C@H](O)CNc2ncccc2C#N)C1=O 1106064676 WKLCLNKXAXHHHJ-VXGBXAGGSA-N 317.349 -0.679 30 20 DBED N#Cc1cncc(NC[C@@H](O)CNC(=O)c2csc(O)n2)n1 1106066397 CQYMFFGKMGWIGJ-MRVPVSSYSA-N 320.334 -0.287 30 20 DBED C=CCNC(=O)CNC[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)C[C@H]1C 1106894183 DREXOUVAFRRYDW-UPJWGTAASA-N 322.409 -0.749 30 20 DBED CN1CCO[C@@H](C(=O)NC/C=C\CNc2cnc(C#N)cn2)C1 1107094302 YRJNLJHBJMFZGZ-XQJDBVBESA-N 316.365 -0.237 30 20 DBED CC(=O)N1CC(C(=O)NC/C=C\CN=c2cc[nH]c(C#N)n2)C1 1107169245 ZNBRFBROJBRTNY-IHWYPQMZSA-N 314.349 -0.667 30 20 DBED N#Cc1ccc(NC/C=C\CNC(=O)[C@@H]2COC(=O)N2)nn1 1107176441 YLBUYCBPYUTVPD-SYBPUXJVSA-N 302.294 -0.459 30 20 DBED C#CCOCCC(=O)NC[C@]1(C)CN(CC#CCOC)CCO1 1107939486 CZWYSHYELRZRIJ-QGZVFWFLSA-N 322.405 -0.117 30 20 DBED C#CCCN1CCO[C@@](C)(CNC(=O)C[C@@H]2CCC(=O)N2)C1 1108275570 HYIANQMKFDSLNB-BBRMVZONSA-N 307.394 -0.115 30 20 DBED C[C@@H](CNc1ccc(C#N)nn1)NC(=O)CCn1cnnn1 1108484077 MDSDDLSQLASJSF-VIFPVBQESA-N 301.314 -0.658 30 20 DBED C=CCCC(=O)N[C@H]1CC(=O)N(C2CN(CC(=O)NCC)C2)C1 1108520561 VYYDGECOTNCRLV-LBPRGKRZSA-N 322.409 -0.510 30 20 DBED C=C(C)CCN1CC(N2C[C@@H](NC(=O)CC(=O)NC)CC2=O)C1 1108538051 ZTAZRUAGOGTYOU-LBPRGKRZSA-N 322.409 -0.510 30 20 DBED CC#CCN1CC(N2C[C@H](NC(=O)[C@H](CC)N(C)C)CC2=O)C1 1108578057 UVGHOGLZLCWQJU-HIFRSBDPSA-N 320.437 -0.249 30 20 DBED COCC(=O)N[C@H](C)C(=O)N[C@@H](C)CN=c1cc[nH]cc1C#N 1108746736 VIDIRNOEJHRSSC-WDEREUQCSA-N 319.365 -0.557 30 20 DBED C[C@H](CN(C)c1cnc(C#N)cn1)NC(=O)[C@@H]1COCCN1C 1108942801 DTMUUBOUNBJZTC-YPMHNXCESA-N 318.381 -0.380 30 20 DBED COC(=O)NCC(=O)N(C)CCCN=c1cc[nH]cc1C#N 1109373386 ZCIALRJAWQDREJ-UHFFFAOYSA-N 305.338 -0.008 30 20 DBED Cc1cc(C#N)nc(NCCCN(C)C(=O)CCNC(N)=O)n1 1109450995 XHABMBOFPIPHJB-UHFFFAOYSA-N 319.369 -0.025 30 20 DBED N#Cc1cccnc1NC[C@@H](NC(=O)Cn1ncnn1)C1CC1 1109918026 UHTUHCDQICJRDO-GFCCVEGCSA-N 312.337 -0.053 30 20 DBED C=CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1110182817 ATTZRZDJKJNMAD-MQYQWHSLSA-N 320.393 -0.061 30 20 DBED N#Cc1nccnc1NC1(CNC(=O)[C@@H]2CC[C@@H]2C(N)=O)CC1 1110299816 HPMKZNZSGBOXKX-VHSXEESVSA-N 314.349 -0.080 30 20 DBED COCC(=O)N[C@]1(CO)CCCN(c2cncc(C#N)n2)C1 1111336023 GCMKRCNIMGKIFE-CQSZACIVSA-N 305.338 -0.558 30 20 DBED Cc1nn[nH]c1C(=O)N(CCO)CCNc1cnc(C#N)cn1 1111535143 MCNXVWBHJWBXBM-UHFFFAOYSA-N 316.325 -0.679 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)[C@H]2COCCO2)CC1 1112620736 MUTULYVZBBLIMY-CHWSQXEVSA-N 311.382 -0.763 30 20 DBED N#Cc1cccnc1N1CCC(CO)(NC(=O)CC(N)=O)CC1 1112657031 MTIKXBJGNGQCJR-UHFFFAOYSA-N 317.349 -0.724 30 20 DBED C=CCNC(=O)NC(=O)CN1CCN(C(=O)c2cocn2)CC1 1112691422 CIKZBXHRYFTTGV-UHFFFAOYSA-N 321.337 -0.556 30 20 DBED C#CCNC(=O)CC(=O)N1CCN(C[C@@H]2CCCOC2)CC1 1112774005 DNIQKDBBQFNFFH-AWEZNQCLSA-N 307.394 -0.303 30 20 DBED CCN(CCC#N)C(=O)CN1CCN(C(=O)[C@H](O)C(C)C)CC1 1112817274 DLVVQUDKCOMEOR-OAHLLOKOSA-N 324.425 -0.090 30 20 DBED C[C@@H](NC(=O)Cn1cnnn1)[C@@H](C)Nc1ccc(C#N)nc1 1112906212 XYKNWHKQTHQQFZ-NXEZZACHSA-N 300.326 -0.055 30 20 DBED C=CCOCC(=O)NC1[C@@H]2CN(Cc3nc(COC)no3)C[C@@H]12 1114051249 RJOKYYOAVZDFMG-GHMZBOCLSA-N 322.365 -0.035 30 20 DBED CC[C@@H](SC)C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1114151300 GOOAYXSHEYUIOK-XZUYRWCXSA-N 310.423 -0.186 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)CN3CCOCC3)[C@@H]2C1 1114151454 IYPJOIFZCXREII-ZIAGYGMSSA-N 307.394 -0.985 30 20 DBED CC#CCCCC(=O)N[C@H]1[C@@H]2CN(Cc3nnnn3C)C[C@@H]21 1114711647 YJPFZUBNEVRJKB-JYAVWHMHSA-N 302.382 -0.050 30 20 DBED C=CCn1cc(C(=O)NC2[C@@H]3CN(CC(=O)NCC)C[C@@H]23)nn1 1114941313 AKXQLDIGNDAVBA-GHMZBOCLSA-N 318.381 -0.740 30 20 DBED CC(=O)NCC(=O)N1CCC(N(C)c2ccc(C#N)nn2)CC1 1115125520 WVKFUUARYMMJJJ-UHFFFAOYSA-N 316.365 -0.088 30 20 DBED C#Cc1ccc(C(=O)NC2[C@H]3CN(C[C@@H](O)COC)C[C@H]23)cn1 1115140319 VOKJBFKWKYNBNQ-ILXRZTDVSA-N 315.373 -0.270 30 20 DBED Cc1nc[nH]c1C(=O)NC1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]12 1115356494 KQBAXGSGJXMMJD-NXEZZACHSA-N 302.338 -0.982 30 20 DBED C[C@@H](CC#N)N(C)C(=O)C(=O)Nc1cnn(CC(=O)N(C)C)c1 1116727553 XYECZMBXYLORJI-JTQLQIEISA-N 320.353 -0.330 30 20 DBED N#C[C@@]1(F)CCN(C(=O)C(=O)NCc2ccc(C(N)=O)o2)C1 1117568143 OGUUTAKHXHGESW-ZDUSSCGKSA-N 308.269 -0.541 30 20 DBED CN(C)C(=O)N1CCN(C(=O)C(=O)N2CCC(C#N)CC2)CC1 1118184574 HPEXYRNYTCVIGQ-UHFFFAOYSA-N 321.381 -0.426 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N[C@@H]1CCN(C(C)=O)C1 1118768217 ZCIWLOATBGCHBO-CYBMUJFWSA-N 309.366 -0.778 30 20 DBED CN(C[C@H]1C[C@@H](O)C1)C(=O)C(=O)N1CCN(CCC#N)CC1 1118961599 WKNFEIYWAXAKIZ-BETUJISGSA-N 308.382 -0.726 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCCCN2)CCN1C1CC1 1119351397 UAOJDJIAXRKSHH-TZMCWYRMSA-N 319.409 -0.557 30 20 DBED C#CCNC(=O)CN1CCN(c2nnnn2[C@H](C)CC)CC1 1119653058 YFESITBOAYOJKT-GFCCVEGCSA-N 305.386 -0.485 30 20 DBED N#Cc1cccnc1N[C@H](CO)CNC(=O)Cn1cccn1 1121056054 RHKUHILYNLDOHM-LBPRGKRZSA-N 300.322 -0.261 30 20 DBED Cc1ccnc(C(=O)NC[C@H](CO)Nc2cncc(C#N)n2)n1 1121505944 OQZNPMSKAXZESO-LLVKDONJSA-N 313.321 -0.351 30 20 DBED CCCN(C)CCC(=O)NC[C@@H](CO)N=c1cc[nH]cc1C#N 1121840953 WJMIGSBKJBNHKB-AWEZNQCLSA-N 319.409 -0.004 30 20 DBED Cc1cc(C(=O)NC[C@@H](CO)N=c2cc[nH]c(C#N)n2)ccn1 1121881184 BXTNIJAFLDJTEO-LBPRGKRZSA-N 312.333 -0.324 30 20 DBED CN(C[C@H](O)CNc1ccc(C#N)nc1)C(=O)c1cnnn1C 1124270698 BGDUXDVJZAUZQA-GFCCVEGCSA-N 315.337 -0.373 30 20 DBED CO[C@@H](C)C(=O)N(C)C[C@H](O)CN(C)c1ccnc(C#N)n1 1124957977 OZINBIPDRQHQDT-WDEREUQCSA-N 307.354 -0.361 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)C1=CCOCC1 1126148794 WGMCBXFFGPKTPO-LLVKDONJSA-N 324.381 -0.561 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)Cc2cnn(C)c2C)C1=O 1129053255 RDQXNHQVNAPNBJ-AWEZNQCLSA-N 319.409 -0.236 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H](CC)NC(C)=O)C1 1129280946 UWARZYDANDXCOL-MCIONIFRSA-N 320.397 -0.280 30 20 DBED C=CCCN[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@@H]1n1ccnn1 1129807790 UJCZSQPTQXARGK-NEPJUHHUSA-N 316.369 -0.362 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)[C@@H]1CCC(=O)NC1 1130706217 XPLMKCUXCGAFAK-CYBMUJFWSA-N 322.409 -0.581 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CC[C@H](C)N(CC(=O)NCC)C1 1131981212 UZJPKOLRTBFCTB-QWHCGFSZSA-N 322.409 -0.769 30 20 DBED COCC#CCNCCNC(=O)[C@@H]1CCc2nnn(C)c2C1 1132921864 XGPWRCSHEQALPI-GFCCVEGCSA-N 305.382 -0.724 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cc(C)nc(OC)c1 1132968263 AULRQMCVFWUSOG-UHFFFAOYSA-N 304.350 -0.533 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)[C@H](COC)OC 1133513411 PRHHYMHBVJPVBX-ZDUSSCGKSA-N 313.398 -0.446 30 20 DBED C=CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)CCn1cncn1 1133758804 NYNYTQOCDDAHMP-STQMWFEESA-N 322.413 -0.157 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)Cn1nccc1C 1134523427 HIXQNZNIMPZLEJ-UHFFFAOYSA-N 320.397 -0.341 30 20 DBED CCCc1cc(C(=O)NCCNCC(=O)NCC#N)cc(O)n1 1135006445 NHDSRSPRDFDDIU-UHFFFAOYSA-N 319.365 -0.301 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1coc(COC)n1 1136036754 VMDZAZGYPCOBCC-SNVBAGLBSA-N 308.338 -0.722 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)CCCN1C(=O)CNC1=O)NCC#N 1146216180 ISVDBZJYEVDPOJ-WDEREUQCSA-N 309.370 -0.285 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)[C@@H]1C[C@@H](C)CO1)C2 1147920187 IJLPJTMWZMRXPV-KGLIPLIRSA-N 319.405 -0.305 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)CCc1cncn1C 1149571202 UATKCIRIDMSNPU-GFCCVEGCSA-N 307.398 -0.251 30 20 DBED CC1CCN(C(=O)C(=O)NC[C@H]2CN(CC#N)CCCO2)CC1 1150417645 PQTVKJPNCBMKEZ-AWEZNQCLSA-N 322.409 -0.024 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)C(=O)NCC(F)(F)F)C1 1150516225 FNAMJKTXRSWYIV-SNVBAGLBSA-N 321.299 -0.495 30 20 DBED C#CCN1CCC(CCOC)(NC(=O)[C@H]2COC(=O)N2)CC1 1151100092 LSVPXPHNLDQRMR-GFCCVEGCSA-N 309.366 -0.285 30 20 DBED C=C[C@](C)(O)CC(=O)NCCCNCC(=O)NCCCOC 1157189429 KQHMTMQVTXSAHA-HNNXBMFYSA-N 315.414 -0.438 30 20 DBED C#Cc1cncc(C(=O)NCCCNCCN2CCNC2=O)c1 1166299590 UISLSXRIJLHVAT-UHFFFAOYSA-N 315.377 -0.202 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)NCCCN[C@H]1CCCNC1=O 1167685504 UZNLPWIJCKGOCM-UONOGXRCSA-N 324.425 -0.168 30 20 DBED C[C@@H](CC(=O)NCCCNCC(=O)NCC#N)[C@H]1CCCO1 1174620036 DFCNAYUVIXWBNK-QWHCGFSZSA-N 310.398 -0.073 30 20 DBED C#CCCN1CCO[C@@H]2CCN(C(=O)CC(=O)NCC#C)C[C@H]21 1176983035 MMHBIHJJAFMYLR-HUUCEWRRSA-N 317.389 -0.549 30 20 DBED C#CCN1CC(O)(CN(Cc2ccccc2)C(=O)CC(N)=O)C1 1177516580 XMKAXRIFXCWHNB-UHFFFAOYSA-N 315.373 -0.430 30 20 DBED C#CCOCCC(=O)N1CC[C@H](NCC(=O)NC2CC2)[C@@H]1C 1178682235 ZKCWBDBAOSZYOZ-JSGCOSHPSA-N 307.394 -0.116 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2COCCN2CC)C1 1183826812 QAEXKPNPGZQLOR-ZIAGYGMSSA-N 324.425 -0.800 30 20 DBED CC(C)C#CC(=O)N1CC[C@H](CNCC(=O)NC(N)=O)[C@H](C)C1 1184358016 SFWTXPNNCRMCIX-CHWSQXEVSA-N 322.409 -0.085 30 20 DBED C=CCO[C@H](C)C(=O)N1CC[C@@H](NCc2nc(=O)n(C)[nH]2)C1 1188310425 VWVYVSXRJBDDNT-GHMZBOCLSA-N 309.370 -0.610 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](N(C)Cc2nnc(C)o2)C1 1189760164 ICDMQLWKBZKFKO-LBPRGKRZSA-N 319.365 -0.450 30 20 DBED Cc1c[nH]nc1C(=O)N1CC[C@H](N(C)CC(=O)NCC#N)C1 1190013179 AEZNWLPXVTXZJC-NSHDSACASA-N 304.354 -0.496 30 20 DBED C#CCOCCC(=O)N1CC[C@H](N(C)[C@@H](C)C(=O)NC(N)=O)C1 1190113458 JKHPMFUYZWJGHV-RYUDHWBXSA-N 324.381 -0.858 30 20 DBED N#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C[C@@H]2C=CCC2)C1 1190904377 FMEFMJVYYXDVOD-JHJVBQTASA-N 306.366 -0.856 30 20 DBED C[C@H]1CCCN1CC(=O)N1CC[C@H](N(C)CC(=O)NCC#N)C1 1192342570 HAQJSNBXQVIEKR-KBPBESRZSA-N 321.425 -0.357 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1CN([C@H]2CCCN(C)C2=O)C[C@H]1O 1195307583 ZHJRPBYQOANVQT-FRRDWIJNSA-N 309.410 -0.019 30 20 DBED CC1(C)CC[C@H]1C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1O 1195517983 JGINQLVQESVQLE-QJPTWQEYSA-N 308.382 -0.776 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)[C@]2(C)CCC(=O)N2)C1 1195940464 WRNLLXCQHKSSLX-JMSVASOKSA-N 311.382 -0.981 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC23CCCC3)C1 1197478996 NBHWIARIWXNYRO-BFHYXJOUSA-N 319.405 -0.523 30 20 DBED C#CCNC(=O)[C@H](C)N1CCCN(C(=O)c2cnon2)CC1 1197510416 ACXPSVNJWFIHEC-NSHDSACASA-N 305.338 -0.645 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)N[C@@H]1CN(CC=C)C[C@H]1O 1199081187 FNTSQSVUIZVDHZ-VXGBXAGGSA-N 310.398 -0.403 30 20 DBED C#CCNC[C@@H]1CN(C(=O)COC2CCN(C)CC2)CCCO1 1201726713 MUIAVWSTFNTMSF-MRXNPFEDSA-N 323.437 -0.063 30 20 DBED C#CCNC(=O)CN[C@@H]1C[C@@H](NC(=O)COCC)C12CCC2 1202373077 YBHLQFPKJGJGIQ-CHWSQXEVSA-N 307.394 -0.211 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)COCC2CC2)[C@H](C)C1 1206225486 VUOFNLLFMIRWHE-VNHYZAJKSA-N 321.421 -0.013 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC[C@H](NCc2ncnn2C)C1 1208017669 DNFPHCAWSHTTTN-STQMWFEESA-N 305.382 -0.066 30 20 DBED C#CCCN[C@H]1CCCN(C(=O)CN(C)S(C)(=O)=O)C1 1208271843 RCQHEJOTDRLYAX-LBPRGKRZSA-N 301.412 -0.518 30 20 DBED C#CCCN[C@@H]1CCCN(C(=O)CCS(=O)(=O)N(C)C)C1 1211219653 RHYSTDSIUNJTHU-CYBMUJFWSA-N 315.439 -0.128 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)c2cccnn2)C[C@H]1C 1216026198 PFEBPWVDSAMWLY-DGCLKSJQSA-N 303.366 -0.171 30 20 DBED N#CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)/C=C/C1CC1 1217601525 UVDSPHMXQXMGOH-PUWCWTCHSA-N 318.377 -0.496 30 20 DBED C=C(C)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)C(=O)NCC(F)F 1218215039 XCALHIDDCRIJLF-WDEREUQCSA-N 317.336 -0.145 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C2(CC(C)C)CC2)C1 1219777005 RXWMOFLGAVIFDW-KGLIPLIRSA-N 321.421 -0.277 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)CCc2c(C)ncnc2O)C1 1219941966 ZZJVMWMQACVXNH-OLZOCXBDSA-N 304.350 -0.782 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)COc2c(C)occc2=O)C1 1219987752 ZBCROWRPLFLURY-YPMHNXCESA-N 306.318 -0.878 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(Cc2nnc(CC)o2)C[C@@H]1O 1221139529 BQPSOYDNUCOLLD-NEPJUHHUSA-N 324.381 -0.114 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC[C@@H]2CN(C(=O)CC(=O)NC)[C@@H]2C1 1221505003 XOQVGUGRPDZVQN-JHJVBQTASA-N 322.409 -0.654 30 20 DBED CNS(=O)(=O)CCC(=O)N[C@@H]1CCCC[C@H]1NCC#N 1226197966 QIELMDOJCMWRIN-GHMZBOCLSA-N 302.400 -0.534 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC(NC(=O)c2cn(C)cn2)CC1 1226876092 NAEPNPCTKOOZNB-GFCCVEGCSA-N 317.393 -0.248 30 20 DBED C#CCN1CCS(=O)(=O)[C@@H](CCNC(=O)CCCOC)C1 1230425068 AUOVWXMVCNHQMO-ZDUSSCGKSA-N 316.423 -0.349 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@@H]1CN(C)C(=O)COCC=C 1231246128 CZCXXPYIDVGIPV-ZIAGYGMSSA-N 307.394 -0.140 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)CCCNC(=O)c1cnc(C)cn1 1231411701 XRFHQYCRFSKJQY-CYBMUJFWSA-N 317.393 -0.025 30 20 DBED C=CCN1CC[C@H]1CN(C)C(=O)CN1CCCS1(=O)=O 1235051994 OHTZLSJEQCYORX-LBPRGKRZSA-N 301.412 -0.259 30 20 DBED C[C@H]1CCN(C(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1 1258364063 MIWLNFLXIJHDNL-AGKQBQDBSA-N 320.349 -0.503 30 20 DBED CC(C)[C@H](C#N)NC(=O)CCc1nc2c(O)nc(=O)n(C)c2[nH]1 1320287841 GOOLOATXZIVTHJ-QMMMGPOBSA-N 318.337 -0.041 30 20 DBED COc1ccc(NC(=O)C(=O)NCCC#N)cc1-n1cnnn1 1321086640 BKHXNUJKVPIYQC-UHFFFAOYSA-N 315.293 -0.361 30 20 DBED C#C[C@H](C)N(C)C(=O)C(=O)Nc1cccc(S(N)(=O)=O)c1 1322124973 UEZPSATZIFRXAF-VIFPVBQESA-N 309.347 -0.247 30 20 DBED C=CCSCCNC(=O)C(=O)N1CC(NC(=O)OC)C1 1322488361 PRZVBEYSYOSUIP-UHFFFAOYSA-N 301.368 -0.411 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N(C)[C@H](C)CS(C)(=O)=O 1324237146 VZEXKYAODVNRIO-NXEZZACHSA-N 306.384 -0.805 30 20 DBED C#CCOCCN(C)[C@@H](C)C(=O)N[C@H]1CCS(=O)(=O)C1 1324516459 OLSNKIDDNUMWSG-RYUDHWBXSA-N 302.396 -0.740 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)c2nccnc2C(N)=O)C1=O 1325129787 FDRFDTSNRAAHKC-VIFPVBQESA-N 303.322 -0.566 30 20 DBED CN1CC(=O)N(CCCC(=O)N[C@@H]2CCCN(O)C2=O)C1=O 1330502541 IBVMRDWXMFBQHR-SECBINFHSA-N 312.326 -0.843 30 20 DBED COC[C@H](NC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1)C1CC1 1332617994 VGBBHWGVYAVNEW-KBPBESRZSA-N 320.393 -0.274 30 20 DBED CNS(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@H](C)C#N)cc1 1342244943 PCWQSBBFMVEYJK-VIFPVBQESA-N 324.362 -0.191 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@@H]1O 1343346209 XDURKMFDHGTSPF-MCIONIFRSA-N 307.394 -0.572 30 20 DBED C=CCS(=O)(=O)CCNC(=O)[C@@H]1CN2CCN1C[C@@H]2C 1348223247 SAOZONCBUNYNKB-RYUDHWBXSA-N 301.412 -0.908 30 20 DBED N#CCN1CCC(NC(=O)C(=O)N2CCC[C@@H]2CCO)CC1 1348682336 WJVCECGRRUDNTH-CYBMUJFWSA-N 308.382 -0.536 30 20 DBED COCC#CC(=O)NC[C@@H](O)COc1ccc2c(c1)OCO2 1350910634 GJOCWKXEQHCSMZ-LLVKDONJSA-N 307.302 -0.079 30 20 DBED N#Cc1cc(NC(=O)N(CCO)[C@H]2CCS(=O)(=O)C2)ccn1 1365517702 QPDBSPCKVILYNG-LBPRGKRZSA-N 324.362 -0.033 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H]1CNC(=O)CCn1ccnn1 1374001531 ILYRPUCPQATOAZ-NEPJUHHUSA-N 304.354 -0.065 30 20 DBED C[C@@H](C#N)C(=O)NCCN1CCN(Cc2cnn(C)n2)CC1 1376075622 AGNSMWLNYPFTSL-LBPRGKRZSA-N 305.386 -0.791 30 20 DBED Cc1cc(=O)c(C(=O)NC[C@@H](O)CNC(=O)[C@@H](C)C#N)c[nH]1 1389127528 MYNVRISVOLKDEK-WPRPVWTQSA-N 306.322 -0.950 30 20 DBED COC(=O)NCC(=O)N1CCC2(C1)CN(C(=O)[C@@H](C)C#N)C2 1396274389 GAFYGVURIQJKHL-JTQLQIEISA-N 308.338 -0.437 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](CNC(=O)CS(C)(=O)=O)C1CC1 1396978150 QMVLTJHUZHLQEQ-WCBMZHEXSA-N 301.368 -0.798 30 20 DBED C[C@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)C[C@H]1CCC(=O)N1 1397405370 KITJEWGJUSMSNV-MWLCHTKSSA-N 317.349 -0.210 30 20 DBED Cn1c(=O)[nH]c(N[C@H]2CCN(C(C)(C)C)C2=O)c(C#N)c1=O 1412894073 SHMPSTDCVADEOI-VIFPVBQESA-N 305.338 -0.243 30 20 DBED CN(CCNC(=O)Cn1cccn1)C(=O)c1c[nH]c(C#N)c1 1415444140 IVTQATHLIUHTAW-UHFFFAOYSA-N 300.322 -0.029 30 20 DBED CCN(CCNC(=O)Cn1ncnn1)C(=O)c1c[nH]c(C#N)c1 1429594404 WTOJSKLPBAIUML-UHFFFAOYSA-N 316.325 -0.849 30 20 DBED C[C@@H](C#N)C(=O)NC1CN(C(=O)[C@@H]2CCc3nnc(O)n3C2)C1 1430286480 BUOOHHVDQSMXQM-DTWKUNHWSA-N 318.337 -0.967 30 20 DBED COC(=O)[C@]1(C)CCCN1C(=O)Cn1cc(C#N)c(O)nc1=O 1433910718 UEDUUKSDNOVQFI-AWEZNQCLSA-N 320.305 -0.625 30 20 DBED CS(=O)(=O)CCNC1(CNC(=O)c2cc(C#N)c[nH]2)CC1 1439604094 WLOSAJFPVSDEQS-UHFFFAOYSA-N 310.379 -0.217 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C)C(=O)C(C)(C)S(C)(=O)=O 1455437034 XYEBYVNDWYYWIZ-VIFPVBQESA-N 303.384 -0.456 30 20 DBED C=C(Cl)CNC[C@H](O)CNC(=O)c1cccn2nnnc12 1482732593 CRCZOZAVYWLULL-VIFPVBQESA-N 310.745 -0.443 30 20 DBED CC(=O)NCC(=O)NC1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 1523205408 AJOJJSAHLMZCIH-UHFFFAOYSA-N 317.349 -0.257 30 20 DBED Cc1ccc(CNC(=O)Cn2cnc(C#N)n2)cc1-c1nn[nH]n1 1570929953 CWWQFLDJLDJXRL-UHFFFAOYSA-N 323.320 -0.045 30 20 DBED C#CCN(C)c1nnc(C2CCNCC2)n1Cc1cnnn1C 1574615259 ZGNSXJBTWVALBP-UHFFFAOYSA-N 314.397 -0.009 30 20 DBED CN1C[C@@H](CCNc2cnc(-c3nn[nH]n3)c(C#N)n2)CC1=O 1579319810 CEPAMIWXOLHTOH-QMMMGPOBSA-N 313.325 -0.191 30 20 DBED C=CCOCCCn1nnnc1N1C[C@@H](C(=O)O)O[C@H](C)C1 1588869052 OIRKYMZUCJHVBT-MNOVXSKESA-N 311.342 -0.056 30 20 DBED COC(=O)CCN(CC#N)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 1591264553 HYDGTVWFUOGLMN-UHFFFAOYSA-N 303.282 -0.276 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 1591742616 JLMVHMVMGSOZLG-LDYMZIIASA-N 300.326 -0.232 30 20 DBED COC(=O)c1cn(CCNC(=O)[C@](C)(C#N)CC(=O)O)nn1 1593890980 QSQKMLUTULKVFQ-LBPRGKRZSA-N 309.282 -0.815 30 20 DBED C=CCN(C(=O)Cn1cc(-c2nn[nH]n2)c(O)nc1=O)C1CC1 1602846997 DOBMTOMYTGOFBY-UHFFFAOYSA-N 317.309 -0.694 30 20 DBED C=CCN(C(=O)NCCn1cnc(-c2nn[nH]n2)n1)C1CC1 1609055935 GTSRHGFEFRIRNA-UHFFFAOYSA-N 303.330 -0.182 30 20 DBED C[C@@H]1CN(CCC(=O)O)CCN1S(=O)(=O)N(C)CCC#N 1609876032 ZDTBLRPMHWONID-LLVKDONJSA-N 318.399 -0.443 30 20 DBED C=CCOCC(=O)N1CCCC[C@@H]1CNCc1nc(=O)n(C)[nH]1 1673092174 LBHNBQASAIWVBM-GFCCVEGCSA-N 323.397 -0.218 30 20 DBED C#CCNC(=O)CN1CCC[C@H](NC(=O)C[C@@H](C)COC)C1 1731355151 MGDHPZKRBSQICK-KGLIPLIRSA-N 309.410 -0.011 30 20 DBED CN(CC(=O)NCC#N)C[C@@H]1CCCN(C(=O)c2ncc[nH]2)C1 1752506514 SNYPBNNYGCRSQP-LBPRGKRZSA-N 318.381 -0.167 30 20 DBED C#CCNC(=O)[C@@H](C)N(CC)CCNC(=O)Cn1nccc1C 1753090155 IGBRUDJASSZYDO-CQSZACIVSA-N 319.409 -0.232 30 20 DBED C=CCN1CC[C@H](CNC(=O)CN2C(=O)C(=O)N(C)C2=O)C1 1753136153 STRDPEJGVGVHQY-SNVBAGLBSA-N 308.338 -0.969 30 20 DBED N#CCNC(=O)CN(CCNC(=O)c1cscn1)C1CC1 1753153259 YJGIXDOTFFAYQB-UHFFFAOYSA-N 307.379 -0.023 30 20 DBED C=CCNC(=O)[C@H](C)NCCN(C)C(=O)CC1OCCCO1 1753183746 XVPYXTDEWPOXLZ-LBPRGKRZSA-N 313.398 -0.122 30 20 DBED C#CCNC(=O)[C@@H](C)NCCN(C)C(=O)c1c(C)nn(C)c1F 1753257002 WABCXSOIUGNKKE-LLVKDONJSA-N 323.372 -0.333 30 20 DBED C#CCNC(=O)CN1CC[C@H](N(C)C(=O)c2cn(C)nc2C)C1 1753433727 MPXMPRCQTCIXMP-ZDUSSCGKSA-N 317.393 -0.376 30 20 DBED C#CCNC(=O)CNC[C@H]1CCC[C@H]1NC(=O)c1csnn1 1753891369 KHCVASWIBKNOGP-GHMZBOCLSA-N 321.406 -0.224 30 20 DBED COCC#CCNC/C=C\CNC(=O)C[C@@H]1CCC(=O)NC1 1754128147 CDUOLGCGDIMGNT-SFAKSCPVSA-N 307.394 -0.186 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC/C=C\CN[C@@H](CC)C(N)=O 1754132884 AHTVMBNPMCKABR-LAWSMPECSA-N 306.410 -0.390 30 20 DBED C=CCNC(=O)NC(=O)CNC[C@@H](C)NC(=O)C1=COCCC1 1754219370 JKKXDNIJODECBP-LLVKDONJSA-N 324.381 -0.213 30 20 DBED C#CCNC(=O)CNC[C@@H](C)NC(=O)Cc1c(C)nn(C)c1C 1754236771 SWZBJYBCGNVEOD-LLVKDONJSA-N 319.409 -0.577 30 20 DBED C#CCNC(=O)CNC[C@H](C)NC(=O)[C@@H]1CCCN1CCC 1754269315 HJLKAQDPJRVWOV-KBPBESRZSA-N 308.426 -0.296 30 20 DBED COCCC(C)(C)C(=O)N[C@@H]1[C@H]2C[C@H]1N(CC(=O)NCC#N)C2 1754429849 YEWNPEPHAGMHFG-OUCADQQQSA-N 322.409 -0.122 30 20 DBED C=CCCO[C@H](C)C(=O)N(C)C1CN(Cc2nc(=O)n(C)[nH]2)C1 1754572099 SFYULETYPBQDHL-LLVKDONJSA-N 323.397 -0.268 30 20 DBED C#CCN(C(=O)[C@@]12COC[C@@H]1C2)C1CCN(CC(N)=O)CC1 1754637527 ODTPDESAMYHCLB-LRDDRELGSA-N 305.378 -0.566 30 20 DBED CC#CCN1CC[C@@](C)(NC(=O)[C@@H](C)NS(=O)(=O)CC)C1 1754673856 IAMKOEALDAMQHP-TZMCWYRMSA-N 315.439 -0.082 30 20 DBED C#CCNC(=O)CN1CCC[C@@](CO)(NC(=O)c2ccc[nH]2)C1 1754851756 SSNJJMANERXCQJ-MRXNPFEDSA-N 318.377 -0.679 30 20 DBED C#CCN1CC(CCO)(NC(=O)Cc2c(C)nc(C)nc2O)C1 1755338507 YSKHRDXOGREOAK-UHFFFAOYSA-N 318.377 -0.472 30 20 DBED C[C@@H](NCC#N)[C@@H]1CN(C(=O)c2coc(C(N)=O)c2)CCO1 1755445249 QLUUEEPNMBGTQK-SKDRFNHKSA-N 306.322 -0.279 30 20 DBED Cc1c[nH]nc1C(=O)N(C)[C@@H](CNCC(=O)NCC#N)C1CC1 1755570902 LJPOWLLULNLBAV-LBPRGKRZSA-N 318.381 -0.202 30 20 DBED C#CCNC[C@@H](O)CN(C)C(=O)COCc1ccnc(O)c1 1755790087 BHZPHLYIQYVTMT-CYBMUJFWSA-N 307.350 -0.654 30 20 DBED C=CC(C)(C)C(=O)NC1(CCO)CN(C(=O)c2cn(C)nn2)C1 1756085355 DWSNWFBSQJKWCS-UHFFFAOYSA-N 321.381 -0.280 30 20 DBED C=C[C@](C)(O)CC(=O)N(C)C[C@H](C)NC(=O)Cc1n[nH]c(C)n1 1756447497 BGUKLMGCAJMOKW-BONVTDFDSA-N 323.397 -0.054 30 20 DBED CC#CCCCC(=O)N[C@H](CO)CNC(=O)[C@H]1CCCNC1=O 1756527505 HRFCHUJGCMUCMX-STQMWFEESA-N 323.393 -0.701 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CN(C(=O)C2=CCOCC2)C[C@@H]1O 1757171606 YPQRAUIOAICOPF-KGLIPLIRSA-N 304.346 -0.566 30 20 DBED C=CCOCC(=O)NC[C@H]1C[C@@H](NC(=O)C2(C(=O)NC)CC2)C1 1757312553 NAQCCZFKGKEHFS-TXEJJXNPSA-N 323.393 -0.274 30 20 DBED N#CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C=CCN1)C2 1795081105 NUUBVUSISNFKLC-OPDFLTKYSA-N 304.350 -0.982 30 20 DBED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)O)C2)C1 1840175888 KUFZLUCBCVAGNK-WFASDCNBSA-N 312.366 -0.600 30 20 DBED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846194836 VDDSKVDFEJWGME-GFCCVEGCSA-N 318.329 -0.684 30 20 DBED N#Cc1ccccc1S(=O)(=O)N[C@H](CCC(N)=O)C(=O)O 21058513 LAPYEQRKGANERK-SECBINFHSA-N 311.319 -0.445 30 20 DBED N#CCCNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 22317571 VGZWLXPBXGKTFN-UHFFFAOYSA-N 313.335 -0.056 30 20 DBED N#Cc1ccc(S(=O)(=O)CCN2CCN(CCO)CC2)cc1 81512243 WRUXEXJXDZSBIU-UHFFFAOYSA-N 323.418 -0.058 30 20 DBED N#Cc1ccc(S(=O)(=O)NC[C@@H]2CN3CCN2CC3)cn1 179058374 RCHXUOMUJJFCAA-GFCCVEGCSA-N 307.379 -0.769 30 20 DBED Cc1ccc(C#N)cc1S(=O)(=O)N1CCO[C@@H](C(N)=O)C1 265122979 KNFZLYWNGAJVQZ-LLVKDONJSA-N 309.347 -0.259 30 20 DBED CN(C[C@H]1CCCC[C@H]1O)c1c(C#N)c(=O)n(C)c(=O)n1C 272243127 RHESSUGVYJKIGC-ZYHUDNBSSA-N 306.366 -0.057 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC2(CC1)CC(C(=O)OC)=NO2 273167524 CSQKWHCXWCWRFJ-NSHDSACASA-N 307.350 -0.092 30 20 DBED COC[C@@H](C)NC(=O)NC(=O)Cn1ccc(C)c(C#N)c1=O 274331823 LMQZYOGHCLCIKX-SNVBAGLBSA-N 306.322 -0.111 30 20 DBED COC(=O)[C@@H]1C[C@H](O)CN1CC(=O)NCc1ccc(C#N)cc1 276672213 VARGOHQTNYDEDO-KBPBESRZSA-N 317.345 -0.217 30 20 DBED COCCN(CCC#N)S(=O)(=O)N(C)Cc1cnn(C)c1 282651459 DQOLUAGTDWCMQT-UHFFFAOYSA-N 315.399 -0.041 30 20 DBED C#CCNc1nc(NC[C@H](C)CO)nc(NC[C@@H](C)CO)n1 286250805 IUWLELQDXDBVCE-PHIMTYICSA-N 308.386 -0.003 30 20 DBED COC[C@H](C)N/C(N)=N/CCS(=O)(=O)NCC1CCC1 304746608 FYTGSBQOMSQSFN-JTQLQIEISA-N 306.432 -0.355 30 20 DBED CS(=O)(=O)N1CCC[C@H](N/C(O)=N/C[C@]2(O)CCOC2)C1 328838842 NOYRDQZMECLCCA-CMPLNLGQSA-N 321.399 -0.935 30 20 DBED CN1CCN(C/C(O)=N/Cc2nnc3n2CCCC3)CC1=O 329710513 MGLWQAAHOPQUCH-UHFFFAOYSA-N 306.370 -0.155 30 20 DBED C[C@@H]1CN(/C(O)=N/CCn2cncn2)C[C@H]1N1CCOCC1 329907519 TUHSWKMHXORTSZ-CHWSQXEVSA-N 308.386 -0.155 30 20 DBED O=C(C/N=C(/O)c1cccnc1)N1CCN2C(O)=NC[C@@H]2C1 330148569 JNHSMTVMFGJQDH-LLVKDONJSA-N 303.322 -0.173 30 20 DBED CC[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)Cn1cnc(C#N)n1 331178100 XWNRLERQVNYBQE-NXEZZACHSA-N 322.394 -0.034 30 20 DBED CN(C)C(=O)C1(CNC(=O)Cn2cnc(C#N)n2)CCCC1 331178855 YDVOIUTTXDWZFB-UHFFFAOYSA-N 304.354 -0.085 30 20 DBED N#CCCS(=O)(=O)N1CCN(CC(=O)NC2CC2)CC1 332105914 CUQKXKRPCRYWQZ-UHFFFAOYSA-N 300.384 -0.874 30 20 DBED CCOCCS(=O)(=O)NCC(=O)N(CC)C[C@H](C)C#N 341377546 UAGCRVLYMCWZHA-LLVKDONJSA-N 305.400 -0.050 30 20 DBED COc1cccc(C[C@@H](O)C(=O)NCCn2cnc(C#N)n2)c1 342892879 PBHJMAZRNIHMKJ-CYBMUJFWSA-N 315.333 -0.122 30 20 DBED C=CCN(C(=O)CN1CCN(S(C)(=O)=O)CC1)C1CC1 357963982 LXVVVIPGMCRZFI-UHFFFAOYSA-N 301.412 -0.259 30 20 DBED N#C[C@H]1CCC[C@H]1NS(=O)(=O)N1CCS(=O)(=O)CC1 360469634 VEUZAZYMDHRWQR-NXEZZACHSA-N 307.397 -0.757 30 20 DBED CC#CCNC(=O)C(=O)Nc1ccn(-c2ncccc2F)n1 363900857 QZEXVLKTHFMEPR-UHFFFAOYSA-N 301.281 0.484 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N(C)[C@H]1CCS(=O)(=O)C1 407951089 BJVPMFKDRFXMFK-ZJUUUORDSA-N 309.413 -0.558 30 20 DBED C=CC[C@H](CC)NC(=O)C(=O)N1CCC[C@@H](C(=O)NCCN)C1 419138082 QCLSXUGBHKKMGJ-OLZOCXBDSA-N 324.425 -0.229 30 20 DBED C=C[C@H](CO)NC(=O)[C@@H](CCSC)NS(=O)(=O)CC 426849974 WWBYTQQPOSNUKG-NXEZZACHSA-N 310.441 -0.290 30 20 DBED COCCN([C@H](C)C(N)=O)S(=O)(=O)c1cccnc1C#N 428250781 ZKGONXOWWCAEIR-SECBINFHSA-N 312.351 -0.536 30 20 DBED CC(C)NS(=O)(=O)NCCNC(=O)NCC1(CC#N)CC1 430966828 QGGWVFKXJXYYBO-UHFFFAOYSA-N 317.415 -0.188 30 20 DBED CC[C@H](C)[C@@H](O)CNC(=O)C(=O)Nc1ccn(CCC#N)n1 444586952 STLIURFOEJCALZ-QWRGUYRKSA-N 307.354 0.258 30 20 DBED C#CCN1CCN(C(=O)CN2CCC[C@@H](CNC(C)=O)C2)CC1 490761842 XJSWWDPFWHVPBA-INIZCTEOSA-N 320.437 -0.388 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@@H](C)N2CC(C)C2)CC1 516086971 XSENPOBELAAQIW-CQSZACIVSA-N 308.426 -0.227 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)[C@@H]2CC[C@H](C(=O)OC)O2)C1=O 522009593 LMPKWZGUAGTDRL-GRYCIOLGSA-N 310.350 -0.048 30 20 DBED O=C1c2ccccc2C(=O)N1CC#CCN1C[C@H](O)[C@@H](O)C1 528609132 NEJTYTDVGOMPEG-KBPBESRZSA-N 300.314 -0.677 30 20 DBED CCOC(=O)CN(CC)S(=O)(=O)N1CCO[C@@H](C#N)C1 554520356 LYNPFPKJADNORE-JTQLQIEISA-N 305.356 -0.659 30 20 DBED CN(C(=O)CN[C@@]1(C(N)=O)CCOC1)C1(C#N)CCCCC1 565163969 MHPWKAKDZFBKMC-HNNXBMFYSA-N 308.382 -0.095 30 20 DBED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CC(C)(C(N)=O)C2)n1 581942788 UZPMJYVDEQNQGN-UHFFFAOYSA-N 318.337 -0.392 30 20 DBED CC(=O)NCCN(C)C(=O)C(=O)NCc1ccc(C#N)cc1F 592334876 HAEPKSDXHSQMGE-UHFFFAOYSA-N 320.324 -0.092 30 20 DBED CNS(=O)(=O)N1CCN(C(=O)c2cccc(C#N)n2)CC1 593684954 AMUQAAOYMHXDHQ-UHFFFAOYSA-N 309.351 -0.825 30 20 DBED N#CCCN(CCN1CCOCC1)C(=O)c1ccc(C(N)=O)[nH]1 598686405 AVDABZUMTLUGJA-UHFFFAOYSA-N 319.365 -0.198 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1CCC(S(C)(=O)=O)CC1 610762983 MYDLEDNIORNUPJ-JTQLQIEISA-N 317.411 -0.104 30 20 DBED C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCC#CCO 619873297 ASWIHQRXGVXNFZ-SNVBAGLBSA-N 305.290 -0.175 30 20 DBED C=CCC[C@@H](NC(=O)NCCCN(C)S(C)(=O)=O)C(=O)O 654796959 HAZVCERYIHKKIN-SNVBAGLBSA-N 321.399 -0.014 30 20 DBED C=CCC[C@@H](CO)NC(=O)NCC(C)(C)NS(C)(=O)=O 655516862 KOGHBIJHWMAOIM-JTQLQIEISA-N 307.416 -0.060 30 20 DBED CNC(=O)c1ccc(C(=O)OCCn2ncc(C#N)c2N)cn1 729811090 PXBPOYUJPNWZBP-UHFFFAOYSA-N 314.305 -0.051 30 20 DBED C#CCOc1cccc(NC(=O)C(=O)NCC(=O)NCC)c1 731125327 DVGKOLXUKDTVPM-UHFFFAOYSA-N 303.318 -0.111 30 20 DBED CNC(=O)CNC(=S)NN=Cc1cc(C(=O)OC)ccc1O 731929935 NSVHHULFBYMETJ-UHFFFAOYSA-N 324.362 -0.277 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)c2n[nH]c(C)c2O)CC1 749239283 ICTRRRJIIGSZND-UHFFFAOYSA-N 319.365 -0.679 30 20 DBED C#CCCCC(=O)NCCN1CCN(S(C)(=O)=O)CC1 760145674 NJRWOTNMEJVSDC-UHFFFAOYSA-N 301.412 -0.517 30 20 DBED CN1C(=O)CN(NS(=O)(=O)c2ccc(C#N)cc2F)C1=O 767836036 GPBNPLJHOBMEAD-UHFFFAOYSA-N 312.282 -0.215 30 20 DBED C#C[C@H](NC(=O)NC1CCN(CC(=O)NC)CC1)[C@H]1CCCO1 773192831 YTZBRUWDFRCWKE-UONOGXRCSA-N 322.409 -0.323 30 20 DBED COC(=O)c1cn(CC(=O)OCC(=O)NC2(C#N)CCC2)nn1 786553683 QKOVXAHIAXDFLR-UHFFFAOYSA-N 321.293 -0.830 30 20 DBED C#CCC[C@H](O)CNC(=O)NCC(C)(C)NS(C)(=O)=O 798408705 ASMFHCLMCQWMLV-JTQLQIEISA-N 305.400 -0.612 30 20 DBED Cn1cc([C@@H](O)CNS(=O)(=O)c2cncc(C#N)c2)cn1 810052434 ZBLUUHDRGQUFMG-LBPRGKRZSA-N 307.335 -0.301 30 20 DBED C#CCN1CCN(C(=O)CN[C@](C)(COC)CC(=O)O)CC1 825618490 CKAZYDAZAXKIOY-HNNXBMFYSA-N 311.382 -0.767 30 20 DBED Cn1cc(-c2nn[nH]n2)cc1C(=O)NS(=O)(=O)CCCC#N 826358528 XJZGGFBPCYRUBF-UHFFFAOYSA-N 323.338 -0.431 30 20 DBED C#C[C@H](NC(=O)C(=O)NCc1ccnn1CC)[C@H]1CCCO1 829213679 AJZPCBAJCSNFMD-QWHCGFSZSA-N 304.350 -0.184 30 20 DBED N#CCCN(CCC#N)C(=O)CN1CCC([C@@H](O)C(=O)O)CC1 833760020 FAXKEUGRWWZJMU-CQSZACIVSA-N 322.365 -0.200 30 20 DBED Cn1cc(C=NN2C(=O)c3ccccc3C2=O)c(=O)n(C)c1=O 839383669 LVQWFVVPWSOSBE-UHFFFAOYSA-N 312.285 -0.286 30 20 DBED C#CCN(C)CCCNC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1OC 852359778 NIFSBHUZSKABCI-NEPJUHHUSA-N 317.411 -0.947 30 20 DBED C=CCn1cc(CNC(=O)CN2CCCCS2(=O)=O)nn1 880345360 LOOXWAWKDLTAND-UHFFFAOYSA-N 313.383 -0.494 30 20 DBED C#CCN1CCC[C@H](NC(=O)NCCn2cnc(C#N)n2)C1 884342831 LIOAFQXMKHSTIJ-LBPRGKRZSA-N 301.354 -0.453 30 20 DBED N#Cc1cccnc1NCCNC(=O)CN1CCCNC1=O 917159089 ADQQIJBCRHEXBL-UHFFFAOYSA-N 302.338 -0.103 30 20 DBED CC(C)NC(=O)[C@H](C#N)C(=O)CCN1CCCS1(=O)=O 918486072 CAPNZBZQWDRVHW-SNVBAGLBSA-N 301.368 -0.355 30 20 DBED N#CCCNC(=O)COC(=O)CS(=O)(=O)C1CCCC1 919277141 MKPCXGZZGFMEJL-UHFFFAOYSA-N 302.352 -0.083 30 20 DBED CCN(C[C@@H](C)C#N)C(=O)COC(=O)[C@H](C)S(C)(=O)=O 919350481 ZIRPCSHSCOCOKZ-UWVGGRQHSA-N 304.368 -0.029 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N[C@@H]1CCCN(CC)C1=O 921896166 ACRFUYYYHXYOQG-LLVKDONJSA-N 317.411 -0.103 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@H](CNC(=O)c2ccncn2)C1 944734614 RTYYCBOKPWEZEO-GHMZBOCLSA-N 303.322 -0.407 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(NC(=O)[C@@H]2CC(=O)N(C)C2)CC1 948106310 KKZOCFSXKNRIAP-WDEREUQCSA-N 306.366 -0.268 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H]2CCN2C(=O)[C@H]2C[C@H]2C(N)=O)c1 949294200 YGTOLCOOLKSQNT-MXWKQRLJSA-N 315.333 -0.662 30 20 DBED C#Cc1cncc(C(=O)N2CC[C@@H]2CNC(=O)c2cn(C)nn2)c1 949750281 QDXNYSWWPNVYMM-CYBMUJFWSA-N 324.344 -0.164 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1cnon1 951770196 LZGYWJDDKXMLNW-AAEUAGOBSA-N 317.349 -0.502 30 20 DBED C=CC(C)(C)C(=O)N1CC(N(C)C(=O)Cn2c(O)nnc2O)C1 954937858 DNJPAFNFWPUDGN-UHFFFAOYSA-N 323.353 -0.429 30 20 DBED CC(C)Oc1cnc(C(=O)NC[C@@H]2CN(CC#N)C[C@@H]2O)cn1 958069000 KQCKZBPGIRZMDC-YPMHNXCESA-N 319.365 -0.190 30 20 DBED C#CCOc1ncccc1C(=O)NC[C@@H]1CN(CC#C)C[C@H]1O 958593962 DWRJHLVLLHQSLQ-UKRRQHHQSA-N 313.357 -0.251 30 20 DBED C#CCN1C[C@H]2[C@H](NC(=O)[C@@H]3CCc4nnnn4CC3)[C@H]2C1 961843822 CACSBZDKFDQQCS-NMKXLXIOSA-N 300.366 -0.695 30 20 DBED C=C(Cl)CN1C[C@H]2C(NC(=O)c3nccnc3C(N)=O)[C@@H]2C1 962511857 OWOZETRUSKASSX-RKDXNWHRSA-N 321.768 -0.012 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)Cn2ncnn2)C(C)(C)C1 967032433 GWADALFEQHXLFF-QWRGUYRKSA-N 319.369 -0.424 30 20 DBED C[C@@H](C#N)C(=O)N1CC(N2CCN(C(=O)c3cc[nH]n3)CC2)C1 967195547 RDKKCIPGWODXTF-NSHDSACASA-N 316.365 -0.462 30 20 DBED C=CCn1cccc1C(=O)N(CC)C1CN(C(=O)C(N)=O)C1 968064794 OBTBVMOPWVCOGV-UHFFFAOYSA-N 304.350 -0.168 30 20 DBED C=CCCN1CC[C@@H](C)[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C1 968682915 VQDWMJVKRLYHFG-NEPJUHHUSA-N 320.397 -0.220 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)c2n[nH]c3c2CCC3)C1 968690324 JMMLCGJCBOONCI-AXTRIDKLSA-N 317.349 -0.640 30 20 DBED C=C1CC(C)(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@H]3CCNC3=O)C2)C1 969521607 IYXPHOIKNYZLPA-TUAOUCFPSA-N 321.377 -0.833 30 20 DBED C=CCn1cc(C(=O)N2CC[C@@H](NCCn3cncn3)C2)nn1 970205348 HJFXFKJFZHBQJW-GFCCVEGCSA-N 316.369 -0.440 30 20 DBED C#CCN(C)[C@@H]1CCN(C(=O)[C@H]2CCc3nnc(O)n3C2)C1 971819012 UKJAGRNJKULILB-NWDGAFQWSA-N 303.366 -0.288 30 20 DBED C#CCCN1CCO[C@]2(CCN(C(=O)c3c[nH]c(=O)cn3)C2)C1 972524684 VOFCREKAEHRKPK-MRXNPFEDSA-N 316.361 -0.290 30 20 DBED C=C(Cl)CN(C)[C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1 972566087 PZBHXFFMWYOEAK-SNVBAGLBSA-N 314.773 -0.177 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CCNC2=O)C1 974354268 ATTZCEVHXDMNHN-FHUSYTEZSA-N 321.377 -0.523 30 20 DBED Cn1nnc2cc(C(=O)NCC3[C@@H]4CN(CC#N)C[C@@H]34)cnc21 978494021 KROLBVZHGPMHTR-RYUDHWBXSA-N 311.349 -0.206 30 20 DBED CC1(C)C(=O)NC(=O)N1CC(=O)N[C@@H]1CCC[C@@H](NCC#N)C1 981439485 DRUVYATZJFIMCC-GHMZBOCLSA-N 321.381 -0.143 30 20 DBED C#CCN1CCCN(C(=O)c2nc(C)n(-c3nc[nH]n3)n2)CC1 981722375 XIQDRKITSCRTRU-UHFFFAOYSA-N 314.353 -0.525 30 20 DBED C#CCN[C@H]1CCN(C(=O)CN2CCCCS2(=O)=O)[C@H]1C 986568933 ABHMEJFINCUWPP-STQMWFEESA-N 313.423 -0.376 30 20 DBED C[C@H]1C[C@@H](NCC#N)CN1C(=O)CN1C(=O)NC(C)(C)C1=O 989752181 KWAYRDWUCVIUGZ-VHSXEESVSA-N 307.354 -0.581 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCN(C(=O)C(C)C)C[C@@H]2O)nn1 991485471 HWKORBZPLUGOCS-AAEUAGOBSA-N 321.381 -0.188 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)c3cc[n+]([O-])cc3)C2)cn1 997091399 YBMCOYWDDMJZOP-UHFFFAOYSA-N 322.324 -0.049 30 20 DBED C=C1CC(C)(C(=O)NC2CN(C(=O)C[C@@H]3CC(=O)NC3=O)C2)C1 999261459 DWTTTWKEHBZQJK-JTQLQIEISA-N 319.361 -0.278 30 20 DBED COCC(=O)N1C[C@H]2C[C@H]3CN(C(=O)[C@@H](C)C#N)C[C@@]3(C1)O2 1001672612 OAAQLWVEQYKWDF-UUIJZJDISA-N 307.350 -0.379 30 20 DBED C[C@H](NC(=O)[C@H]1CCN(C)C1=O)C1CN(C(=O)C#CC2CC2)C1 1006639912 AXGNHWRJMBKHQX-SMDDNHRTSA-N 317.389 -0.159 30 20 DBED C=CCN1CCC[C@@H](NC(=O)C2(n3cnnn3)CCOCC2)C1 1008821542 SPVPSYRZEMWXLD-CYBMUJFWSA-N 320.397 -0.055 30 20 DBED NC(=O)[C@@H]1C[C@@H]1C(=O)NC1[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]12 1013801950 GQGZZRYBVIREGE-WRWGMCAJSA-N 301.346 -0.906 30 20 DBED C#CCCN1CC[C@H](NC(=O)[C@@H]2CC(=O)N(CCOC)C2)C1 1014632302 MYAKKFSYEMCZQG-KGLIPLIRSA-N 307.394 -0.305 30 20 DBED N#CCN1CC[C@@H](NC(=O)[C@H]2COCCN2CC(F)F)C1 1015395191 BYCZKEXSUPQNDD-GHMZBOCLSA-N 302.325 -0.334 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2CCN(CCS(C)(=O)=O)C2)nc1 1016024874 SFGNVRAFOLRJBN-ZDUSSCGKSA-N 321.402 -0.088 30 20 DBED O=C(Cc1nc[nH]n1)N1C[C@@H]2CCN(C(=O)C#CC3CC3)[C@@H]2C1 1021591355 QYONUSINTSIBTN-QWHCGFSZSA-N 313.361 -0.180 30 20 DBED N#Cc1ccccc1CN[C@H]1C[C@@H](NC(=O)Cn2ncnn2)C1 1022082626 DRSIHWXJAFVVRK-OKILXGFUSA-N 311.349 -0.018 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]2CN(C(=O)c3ncn(C)n3)C[C@H]21 1022565356 VBJZHINDYOSEDD-OUAUKWLOSA-N 302.338 -0.352 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)c3ccc[nH]3)C[C@H]2O)[nH]1 1023428735 FCIRBBUCNGZPCP-CHWSQXEVSA-N 313.317 -0.170 30 20 DBED Cc1cc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2O)ns1 1023531847 YTFDVEQTKMVHKY-AVPPRXQKSA-N 308.363 -0.087 30 20 DBED N#CCN1CCCC[C@@H]1CNC(=O)[C@H]1CCS(=O)(=O)N1 1024807561 UUCQDIZDEBCSPE-GHMZBOCLSA-N 300.384 -0.828 30 20 DBED C=C1CC(C)(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3[nH]nnc3C)C2)C1 1024987070 LUCGAWLNRAHECW-GHMZBOCLSA-N 319.365 -0.229 30 20 DBED N#CCN[C@H]1CC[C@H](NC(=O)C2CC3(C2)NC(=O)NC3=O)CC1 1034753939 NALRGEQSWHCAOA-JAXYIBKZSA-N 319.365 -0.485 30 20 DBED N#CCN1CCO[C@H](CNC(=O)c2cnn3c2OCCC3)C1 1035436225 OVNYBXOJEXXKOA-LLVKDONJSA-N 305.338 -0.380 30 20 DBED N#CCN1CCO[C@H](CNC(=O)[C@@H]2CCc3n[nH]cc3C2)C1 1035575364 ZDJSDGCGICWICP-DGCLKSJQSA-N 303.366 -0.145 30 20 DBED C=CCN1CC[C@H]2CN(C(=O)c3cn(CC(N)=O)nn3)CC[C@H]21 1036904377 RCKBBSTZVGVNRJ-WCQYABFASA-N 318.381 -0.514 30 20 DBED CC(C)C#CC(=O)NC[C@@]1(O)CCN(C(=O)c2n[nH]cc2F)C1 1039665460 MDFXYSQUOCQDGC-HNNXBMFYSA-N 322.340 -0.099 30 20 DBED C=CCCCC(=O)NC[C@@]1(O)CCN(C(=O)CNC(C)=O)C1 1040726954 KIFDXSDINIHDCA-HNNXBMFYSA-N 311.382 -0.442 30 20 DBED CCn1ncc(C(=O)N2CC[C@@](O)(CNC(=O)[C@@H](C)C#N)C2)n1 1040764782 YXWOITTWEHSHRP-IINYFYTJSA-N 320.353 -0.849 30 20 DBED N#Cc1cnc(N2C[C@@H](O)[C@H](NC(=O)c3cn[nH]c3)C2)c(F)c1 1040924584 TZQRERVKHSHEGK-VXGBXAGGSA-N 316.296 -0.205 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[C@@H]3C(F)F)C2)nn1 1041008010 MRQIAUMANFGXLW-UKKRHICBSA-N 323.303 -0.085 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)COCCCOC)C1 1041960258 KGXKWTXLROSRFH-UHFFFAOYSA-N 314.382 -0.305 30 20 DBED N#CCSCC(=O)N1CC(O)(CNC(=O)/C=C\C2CC2)C1 1042312317 LECXZPBZCIQOFC-ARJAWSKDSA-N 309.391 -0.101 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)C1CN(Cc2nc(O)n[nH]2)C1 1042960809 VMYJSLZOANAOHF-LBPRGKRZSA-N 318.381 -0.750 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)c2nc(C)c[nH]2)C1 1043224376 QOXKTIAYUVBPKV-LLVKDONJSA-N 320.349 -0.940 30 20 DBED C#CCC1(C(=O)NCC2(O)CN(C(=O)c3cc[nH]n3)C2)CCC1 1043347934 LICFIABBVPKUML-UHFFFAOYSA-N 316.361 -0.094 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)c2cnnc(O)c2)C1 1043486274 QDPTYLFOQSWCHB-UHFFFAOYSA-N 320.349 -0.303 30 20 DBED O=C(C#CC1CC1)N1CC(O)(CNC(=O)C2(F)CCOCC2)C1 1043524675 MDSHIEYVWKIAEZ-UHFFFAOYSA-N 324.352 -0.392 30 20 DBED C=CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)[C@H](C)COC)C1 1043570119 FZUCESJJOOCXDU-NEPJUHHUSA-N 314.382 -0.451 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 1044204762 LAAGXFUOGUSRJD-ZDEQEGDKSA-N 321.377 -0.349 30 20 DBED Cc1n[nH]cc1C(=O)NCC1(O)CN(C(=O)C#CC(C)C)C1 1044345875 NCMQQESQCJFIJL-UHFFFAOYSA-N 304.350 -0.319 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)C(C)(C)C=C)C1 1044475650 XIOMUWATMCGVCZ-UHFFFAOYSA-N 308.378 -0.072 30 20 DBED C=C[C@H](C)[C@H](C)C(=O)N1CC(O)(CNC(=O)c2nc[nH]n2)C1 1044789274 KBFAVPIWEBBVEN-UWVGGRQHSA-N 307.354 -0.434 30 20 DBED C=C[C@@H](CC)CC(=O)NCC1(O)CN(C(=O)c2nnn(C)n2)C1 1045072870 USMQJRBEFGFWAE-JTQLQIEISA-N 322.369 -0.885 30 20 DBED C=CCn1cc(C(=O)N2CCC[C@H]2CN[C@@H]2CCNC2=O)nn1 1045231923 HSLXLLFNWUXQPR-NWDGAFQWSA-N 318.381 -0.453 30 20 DBED CCc1cc(C(=O)N2CC(O)(CNC(=O)[C@H](C)C#N)C2)n[nH]1 1045541013 OSYTTWPCWXRPKU-SECBINFHSA-N 305.338 -0.565 30 20 DBED CC(C)COCCC(=O)N1CC(O)(CNC(=O)[C@H](C)C#N)C1 1045541373 VGUNFUWFQDDQCN-GFCCVEGCSA-N 311.382 -0.102 30 20 DBED C#CCCN1CC[C@H](N2CCN(C(=O)c3cnon3)CC2)C1 1046072528 HPESPWCIEJUELX-ZDUSSCGKSA-N 303.366 -0.075 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCn2ccnn2)C1 1048741025 SHELYJGMSIZPGB-STQMWFEESA-N 321.381 -0.336 30 20 DBED N#CCN1C[C@H]2CN(C(=O)[C@@H]3CCCCN3C(N)=O)C[C@H]2C1 1049165409 OQSIZJWOEOPPRF-XQQFMLRXSA-N 305.382 -0.167 30 20 DBED CC#CCCCC(=O)N(C)[C@H]1CN(C(=O)CNC(C)=O)C[C@@H]1O 1049237263 DGRMCSBHBJPNNU-KBPBESRZSA-N 323.393 -0.654 30 20 DBED C=C(C)CCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C2(C(N)=O)CC2)C1 1049382279 LFKZIBZFUQTCCU-RYUDHWBXSA-N 323.393 -0.362 30 20 DBED C#CCCN1CCOC[C@H]1CNC(=O)c1ccc2nn[nH]c2n1 1050947226 QPLHUJUSUCQKEH-LLVKDONJSA-N 314.349 -0.193 30 20 DBED Cn1cc(C(=O)N2CC[C@@H](N3CCN(CC#N)CC3)C2)cn1 1051976817 AVXDQAOSEDZHPQ-CQSZACIVSA-N 302.382 -0.224 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H]1CN(C(=O)C(C)C)C[C@@H]1C 1052006052 BBYIHPBMUJQBLH-QWHCGFSZSA-N 307.394 -0.007 30 20 DBED C#CCN1CCN([C@@H]2CCN(C(=O)[C@@H]3CCCNC3=O)C2)CC1 1052037992 WOCSUSZKWNXHJX-HUUCEWRRSA-N 318.421 -0.636 30 20 DBED N#CCN1CCN([C@H]2CCN(C(=O)[C@@H]3CCC(=O)NC3)C2)CC1 1052048450 UMEYSZJXUIEFMC-KGLIPLIRSA-N 319.409 -0.745 30 20 DBED C#CCN1CC2(C1)CN(C(=O)[C@H]1CCCN(C(N)=O)C1)CCO2 1053331967 FHBLBPFCQMZXOW-ZDUSSCGKSA-N 320.393 -0.677 30 20 DBED C#CCN1CC2(C1)CN(C(=O)c1cn(CCC)nn1)CCO2 1053487911 XDGKQIYCQMXMKX-UHFFFAOYSA-N 303.366 -0.152 30 20 DBED N#Cc1ccc(N2C[C@H]3C(NC(=O)[C@@H]4COC(=O)N4)[C@@H]3C2)nn1 1056196010 XREMAJFVIKXQCS-BBBLOLIVSA-N 314.305 -0.993 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@H]1CCCN2C(=O)CC(N)=O 1056325767 UVHMNKHMTNWFDE-UPJWGTAASA-N 321.377 -0.508 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)CCNC(N)=O 1056537333 JHIPDPZVQYLNAR-IJLUTSLNSA-N 321.381 -0.204 30 20 DBED C[C@H](NC(N)=O)C(=O)N1C[C@@H]2CCCN(C(=O)[C@H](C)C#N)[C@@H]2C1 1056714024 YGLPJQQSZQDTTR-NOOOWODRSA-N 321.381 -0.348 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)c1cnsn1 1057086542 ATALCIVDJVWMSX-UHFFFAOYSA-N 310.379 -0.252 30 20 DBED COC[C@H](C)C(=O)N(CCO)CCNC(=O)c1ccc(C#N)[nH]1 1057189466 UARBUJOTNAVGRK-NSHDSACASA-N 322.365 -0.280 30 20 DBED C#CCNC(=O)CC(=O)N(CCO)CCNC(=O)C=C(C)C 1057390742 OBMPTVKHUDHHGB-UHFFFAOYSA-N 309.366 -0.971 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)c1cnn(C)c1N 1057403614 ABRHVPRYLHVIMQ-UHFFFAOYSA-N 309.370 -0.481 30 20 DBED N#Cc1ccc(N[C@H]2CCCN(C(=O)[C@@H]3COC(=O)N3)C2)nn1 1057629451 BEXIOOYRUMUXOT-QWRGUYRKSA-N 316.321 -0.140 30 20 DBED C=C[C@](C)(CC)C(=O)NCCN(CCO)C(=O)Cn1nccn1 1057701265 YNHZMEBCJATLPQ-OAHLLOKOSA-N 323.397 -0.183 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(CCO)CCNC(=O)/C(C)=C\C 1057961274 PBWDNQKAWITSOM-AGKVCYSUSA-N 321.421 -0.013 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)CCc1ccon1 1058089073 OYNDLYCFJWVNJL-NSHDSACASA-N 308.338 -0.296 30 20 DBED N#Cc1cncc(N2CCC[C@@H](NC(=O)[C@H]3CCNC3=O)C2)n1 1058221161 WNWFTPRWUQOHPC-PWSUYJOCSA-N 314.349 -0.431 30 20 DBED C=C[C@@H](C)[C@@H](C)C(=O)N(CCO)CCNC(=O)Cc1nc[nH]n1 1058438299 UAJKHAXFRQIABT-VXGBXAGGSA-N 323.397 -0.258 30 20 DBED N#Cc1ccc(N2CC[C@H](NC(=O)c3cnnc(O)c3)C2)nn1 1058472942 KZPZQFMBZCIUTG-NSHDSACASA-N 311.305 -0.147 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)[C@H]1CCCC(=O)N1C 1058654558 AULYPAHXWWGOLA-NWDGAFQWSA-N 324.381 -0.906 30 20 DBED N#Cc1nc(=N[C@H]2CCN(C(=O)CCc3nc[nH]n3)C2)cc[nH]1 1058866090 YUMKAFNWESIZRG-JTQLQIEISA-N 312.337 -0.466 30 20 DBED N#Cc1cnc(N[C@H]2C[C@H](NC(=O)CN3CCOCC3)C2)cn1 1059186929 NCDPQEVJNJSIIW-HAQNSBGRSA-N 316.365 -0.260 30 20 DBED C#CCOCCC(=O)NC[C@H]1COCCN1C(=O)COCC 1061582132 ZGJSRAFPEGBIIM-ZDUSSCGKSA-N 312.366 -0.594 30 20 DBED Cn1nnc(C(=O)NC[C@@H]2CCN(c3ccnc(C#N)n3)C2)n1 1061705549 FNHGPPAQMXEVKJ-VIFPVBQESA-N 313.325 -0.872 30 20 DBED C#CCCCC(=O)N1CCOC[C@@H]1CNC(=O)c1cnn(C)n1 1061706395 JSLCLYMZLKISIR-LBPRGKRZSA-N 319.365 -0.424 30 20 DBED N#Cc1c[nH]c(C(=O)NC2(CNC(=O)CNC(N)=O)CCC2)c1 1062490245 UUGLEPWUTJWWPD-UHFFFAOYSA-N 318.337 -0.677 30 20 DBED CN(C(=O)[C@H]1CCC(=O)N1)[C@@H]1CCN(c2nccnc2C#N)C1 1062900267 WNZJNXMWJSGUJB-GHMZBOCLSA-N 314.349 -0.336 30 20 DBED CC[C@@H]1CN(C(=O)CC(N)=O)CC[C@@H]1N=c1cc[nH]c(C#N)n1 1064384310 IPOVTBJHVLJPRH-MNOVXSKESA-N 316.365 -0.315 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)[C@@H]2[C@H]3COC[C@H]32)CCO1 1065481197 SQGKQSOVGHJTJI-RMRHIDDWSA-N 324.377 -0.575 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CCCN(C(=O)CNC(C)=O)CC1 1066166807 OVROMKOXOSJDOZ-GXTWGEPZSA-N 323.393 -0.342 30 20 DBED N#Cc1ccc(N2C[C@@H]3CCCN(C(=O)C(N)=O)[C@@H]3C2)nn1 1066245764 WHAHACVLPYGFGT-GXSJLCMTSA-N 300.322 -0.739 30 20 DBED N#Cc1nccc(N2C[C@H]3CC[C@H]2CN3C(=O)Cn2cncn2)n1 1068043815 JLZVWOBIEDNXJO-NWDGAFQWSA-N 324.348 -0.180 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)CC2OCCCO2)C1 1069915030 HAPZXAHJVKPPGC-OLZOCXBDSA-N 319.365 -0.594 30 20 DBED C#CCOCCC(=O)N1CCC[C@@H](NC(=O)CNC(=O)CC)C1 1070729548 QCHCGHWGGQNYOI-CYBMUJFWSA-N 323.393 -0.340 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC[C@@H](NC(=O)c2cnon2)C1 1070730812 UHEYAKOZQHZXHE-GHMZBOCLSA-N 306.322 -0.171 30 20 DBED Cn1cncc1CC(=O)N1CCC(=O)NCCN(CC#N)CC1 1071015741 RKRNCNLLSKFYCW-UHFFFAOYSA-N 318.381 -0.863 30 20 DBED C=CCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)Cn2c(O)nnc2O)C1 1071788250 WHBOYSIXVPEABU-ZJUUUORDSA-N 323.353 -0.381 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H](C)[C@H](NC(=O)COCC)C1 1071922520 UYEZUKYBUJVVFY-NWDGAFQWSA-N 309.366 -0.875 30 20 DBED C[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)C1(NC(N)=O)CC1 1072049423 SYNYALHXRNYOOL-CMPLNLGQSA-N 318.377 -0.436 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(C)(NC(=O)Cn2cncn2)CC1 1073230361 WBTYKAWIMOMRRO-NSHDSACASA-N 304.354 -0.065 30 20 DBED C#CCCN1CCCO[C@H](CNC(=O)c2c[nH]c(=O)cn2)C1 1073748050 ARBLXTVAAZVGQM-GFCCVEGCSA-N 304.350 -0.386 30 20 DBED C#CCOCCC(=O)N[C@H]1CCN(C(=O)CNC(C)=O)C[C@H]1C 1073960429 NTVMMGBUKZJOLU-OCCSQVGLSA-N 323.393 -0.484 30 20 DBED C#CCN1C[C@@H]2CCN(C(=O)CCn3cnccc3=O)[C@@H]2C1 1076406367 GEMCZWIYWZJEEA-UONOGXRCSA-N 300.362 -0.201 30 20 DBED C[C@@H](CCNC(=O)CS(=O)(=O)N(C)C)NC(=O)[C@@H](C)C#N 1077805144 JIKZBOQROBEIPL-UWVGGRQHSA-N 318.399 -0.952 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)[C@]2(C)CCN(C(C)=O)C2)C1 1077963801 HFQPBFQMXIKLMX-IIAWOOMASA-N 309.410 -0.018 30 20 DBED N#CCN[C@H]1C[C@H](NC(=O)Cn2c(O)nnc2O)C12CCC2 1078793985 DDAMWTSXHJDWCX-IUCAKERBSA-N 306.326 -0.770 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C(C)(F)F)C1 1081184668 XOOZTOLMRBNVCR-VHSXEESVSA-N 306.309 -0.220 30 20 DBED C#CCOCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2ccco2)C1 1081192319 SAFIYVKRNRVSBW-CHWSQXEVSA-N 320.345 -0.131 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CNC(=O)C2CC2)C1 1081299773 JKALCTQJYFNGOS-QWHCGFSZSA-N 323.393 -0.586 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)c2cnsn2)C[C@H]1O 1081441454 INPWKCPXTTWTDW-CMPLNLGQSA-N 322.390 -0.109 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@@H]1CCc2nc[nH]c2C1 1082311368 IWTNCUGVQHAHFB-LERXQTSPSA-N 303.366 -0.146 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)C2CCS(=O)(=O)CC2)C1 1083828499 VUJSNYALLDKEHQ-OLZOCXBDSA-N 316.423 -0.451 30 20 DBED CC#CCN1CC[C@@H]2CN(C(=O)CC[C@@H]3NC(=O)NC3=O)[C@@H]2C1 1084819565 GZHQTQIHTVZBKZ-FRRDWIJNSA-N 318.377 -0.469 30 20 DBED Cn1nnnc1CN[C@H]1C[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1 1086343304 XIZYTOUMKCHJAZ-HOMQSWHASA-N 314.353 -0.292 30 20 DBED CCN(c1cnc(C#N)cn1)[C@H](C)CNC(=O)Cn1cncn1 1089648265 UBTOBFNCCAEPNG-LLVKDONJSA-N 314.353 -0.029 30 20 DBED C=CCN1CC[C@H](NC(=O)Cn2nnc3c2CCCC3)[C@@H](O)C1 1090574019 QUAUIZUPWCVGIY-ZFWWWQNUSA-N 319.409 -0.106 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2cnc(OC)nc2)[C@@H](O)C1 1090697178 DEBBWKJPLKHEPW-OLZOCXBDSA-N 304.350 -0.327 30 20 DBED CSCC(=O)N[C@@H]1CCN(c2nccnc2C#N)C[C@@H]1O 1092147725 IGQCUEXARDDGOY-KOLCDFICSA-N 307.379 -0.233 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1CNC(=O)[C@@H]1CCCN(C(N)=O)C1 1092801246 PPXHRPDLWGLSIQ-JHJVBQTASA-N 307.398 -0.015 30 20 DBED CC(=O)N[C@H](C)C(=O)NC1[C@@H]2CN(c3cnc(C#N)cn3)C[C@@H]12 1093207872 OBQKQNCZVMACSB-GGZOMVNGSA-N 314.349 -0.576 30 20 DBED COC[C@H](OC)C(=O)NC1[C@@H]2CN(c3cncc(C#N)n3)C[C@@H]12 1093346651 XSHDBEIXDSKPMJ-UTUOFQBUSA-N 317.349 -0.440 30 20 DBED C#CCN1CC(OC2CCN(C(=O)c3nnn(C)n3)CC2)C1 1093561124 ANKKBBJMIPDNBU-UHFFFAOYSA-N 304.354 -0.851 30 20 DBED N#Cc1c[nH]ccc1=NCCNC(=O)Cc1nc2ncccn2n1 1093639247 ZGHRFIVWVYTTTK-UHFFFAOYSA-N 322.332 -0.416 30 20 DBED Cc1cc(C#N)nc(NCCNC(=O)c2ccc(C(N)=O)[nH]2)n1 1094127865 RAQPKYBPNRACIM-UHFFFAOYSA-N 313.321 -0.074 30 20 DBED N#Cc1ccc(NCCNC(=O)c2nnc(O)nc2O)nc1 1094253701 VLDDYFCKKJBXHX-UHFFFAOYSA-N 301.266 -0.609 30 20 DBED Cc1cc(C#N)nc(NCCCNC(=O)[C@H]2COCCN2C)n1 1094396020 ZTWYIPMVWGBQQL-CYBMUJFWSA-N 318.381 -0.095 30 20 DBED C=CCCN1CC(N2C[C@H](NC(=O)c3cnn[nH]3)CC2=O)C1 1094755905 JLTKMQPAPBQGEY-SNVBAGLBSA-N 304.354 -0.604 30 20 DBED N#Cc1cccnc1N[C@H](CNC(=O)[C@H]1CNC(=O)N1)C1CC1 1096799787 ASYDTKVVDWFHFD-VXGBXAGGSA-N 314.349 -0.059 30 20 DBED Cc1cc(C#N)nc(N[C@@H](C)CNC(=O)[C@H]2COC(=O)N2)n1 1097815429 BGCHSADMDKOREE-WCBMZHEXSA-N 304.310 -0.318 30 20 DBED C#CCCN(CCO)C1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1 1098481234 NHWHUQPJXNNSPT-KGLIPLIRSA-N 307.394 -0.584 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CN(C)C(=O)C2CC2)[C@@H](O)C1 1099863197 JVXSYWWJXKSWIA-KGLIPLIRSA-N 307.394 -0.571 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)Cn2cncn2)[C@H](O)C1 1100101859 UBNWFZBGRNWGKR-CHWSQXEVSA-N 309.370 -0.968 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)CS(=O)(=O)CCC)[C@@H](O)C1 1100113837 FTNTYNRYNZAPBB-STQMWFEESA-N 318.439 -0.061 30 20 DBED N#CCNC(=O)CNC1CC(CNC(=O)Cc2cncnc2)C1 1100289873 SKBNQUNUXWLVRN-UHFFFAOYSA-N 316.365 -0.857 30 20 DBED Cc1ccc(C(=O)NCC2CC(NCC(=O)NCC#N)C2)nn1 1100309286 NUZLCDSLYOEDEQ-UHFFFAOYSA-N 316.365 -0.477 30 20 DBED CC[C@H](NC(C)=O)C(=O)NCCN(C)c1cncc(C#N)n1 1100339928 HDAIOMWXLVMGMT-LBPRGKRZSA-N 304.354 -0.185 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CC(CNC(=O)c2cnco2)C1 1100547106 IFLSXSVVLOAQMB-VOMCLLRMSA-N 304.350 -0.090 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)CN2CCC[C@@H]2C)C1 1100675853 AOLGHKXODVYTMI-NFOMZHRRSA-N 320.437 -0.296 30 20 DBED CC#CCNC1CC(CNC(=O)CCCN2C(=O)CNC2=O)C1 1100964268 SWQZEFANNBWYGX-UHFFFAOYSA-N 320.393 -0.174 30 20 DBED CC(C)(C(N)=O)C(=O)NC[C@@H]1CCN(c2ccc(C#N)nn2)C1 1101022726 PRBXXPZDVDOJKA-JTQLQIEISA-N 316.365 -0.198 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CN(C(=O)C[C@H](C)OC)C[C@]2(C)C1 1101164265 YOQLTRSLVBHZHU-VBQJREDUSA-N 321.421 -0.059 30 20 DBED C#CCN1C[C@@H](C)[C@H](CNC(=O)CCNS(C)(=O)=O)C1 1102016563 BSVSHNPPDJBBBE-VXGBXAGGSA-N 301.412 -0.757 30 20 DBED CN(CCNc1nccnc1C#N)C(=O)c1nnc(O)nc1O 1102050325 IPMFCXPBSWSYQT-UHFFFAOYSA-N 316.281 -0.871 30 20 DBED CC[C@@H](CNC(=O)C1(C(N)=O)CC1)N=c1cc[nH]c(C#N)n1 1103281860 UFDFAUXFRFOUKT-VIFPVBQESA-N 302.338 -0.658 30 20 DBED CNC(=O)NCC(=O)N1C[C@@H](C)[C@H](CCNCC#CCOC)C1 1104264813 GMGVDMZXTHDRLS-ZIAGYGMSSA-N 324.425 -0.361 30 20 DBED C[C@@H]1CN(C(=O)C[C@@H]2NC(=O)NC2=O)C[C@H]1CCNCC#N 1104304323 AWIVFDRSGFTYNK-MXWKQRLJSA-N 307.354 -0.818 30 20 DBED N#Cc1cccnc1NC[C@@H](O)CNC(=O)c1cc[n+]([O-])cc1 1105715622 YOBXCBDJGZRQDA-CYBMUJFWSA-N 313.317 -0.211 30 20 DBED Cc1c(C(=O)NC[C@H](O)CN=c2cc[nH]cc2C#N)nnn1C 1105762402 OZELPWGZGMONSK-LLVKDONJSA-N 315.337 -0.985 30 20 DBED Cc1cn(C)nc1C(=O)NC[C@@H](O)CNc1cnc(C#N)cn1 1105819091 UCVXMWKZMGOEET-NSHDSACASA-N 315.337 -0.407 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H](O)CNC(=O)c1csnn1 1106054313 NLTNBBZILWEBLM-SECBINFHSA-N 304.335 -0.571 30 20 DBED Cc1cc(C#N)nc(NC[C@H](O)CNC(=O)c2n[nH]cc2F)n1 1106083608 RPIFSZWZSYMKQX-SECBINFHSA-N 319.300 -0.278 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)CCc2cnc[nH]2)nn1 1106150454 URBUOBBHAMAMSO-GFCCVEGCSA-N 315.337 -0.407 30 20 DBED CCN(CCNc1cnc(C#N)cn1)C(=O)CN1CCOCC1 1106723673 WKSUCSICIUHVJX-UHFFFAOYSA-N 318.381 -0.059 30 20 DBED C[C@@H]1CN(C(=O)[C@]2(C)CCOC2)C[C@H]1CNCC(=O)NCC#N 1106801033 TYDSRVBVMNRCJW-XJKCOSOUSA-N 322.409 -0.263 30 20 DBED N#Cc1nc(=NC/C=C\CNC(=O)[C@@H]2CCC(=O)N2)cc[nH]1 1107280733 SYYIADCIDPTTCB-SYBPUXJVSA-N 300.322 -0.867 30 20 DBED CCN1CCO[C@@H](C(=O)N[C@H](C)CNc2cnc(C#N)cn2)C1 1107773509 SCWFBTMZFIFUSR-DGCLKSJQSA-N 318.381 -0.014 30 20 DBED C=CCCC(=O)NC[C@@]1(C)CN(CC(=O)NCC#N)CCO1 1107801788 ATSWXPKJDOYMKG-HNNXBMFYSA-N 308.382 -0.201 30 20 DBED C[C@H](C#N)C(=O)NC[C@]1(C)CN(Cc2nncn2C)CCO1 1107819478 PYEUSMONCUYHAL-BXUZGUMPSA-N 306.370 -0.318 30 20 DBED COCC#CCN1CCO[C@@](C)(CNC(=O)[C@@]23COC[C@@H]2C3)C1 1107956290 IMPUYIRVMRZZMH-XIRDDKMYSA-N 322.405 -0.120 30 20 DBED C[C@]1(CNC(=O)c2ccn3nnnc3c2)CN(CC#N)CCO1 1108112801 AZRLJXZSPFDMRW-AWEZNQCLSA-N 315.337 -0.531 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)c2c(C)ncnc2O)C1 1108153554 QYEFISGCFJUVKD-OAHLLOKOSA-N 304.350 -0.055 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)c2cc(C(N)=O)co2)C1 1108209042 IFSFEGVRDFGJEA-HNNXBMFYSA-N 305.334 -0.168 30 20 DBED C=CCN1CCO[C@@](C)(CNC(=O)CN2C(=O)CN(C)C2=O)C1 1108385370 FOTIZWXCJKKVET-HNNXBMFYSA-N 324.381 -0.727 30 20 DBED CO[C@H](C(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1)C1CC1 1108540894 JRPDODSCAWJBNB-RISCZKNCSA-N 306.366 -0.664 30 20 DBED C=CCCCC(=O)N[C@@H]1CC(=O)N(C2CN([C@@H](C)C(N)=O)C2)C1 1108568149 LETAWBNKHZUFHA-NWDGAFQWSA-N 322.409 -0.382 30 20 DBED C[C@@H](CNc1nccnc1C#N)NC(=O)[C@@]1(C)CCNC1=O 1108694411 QYJSIHGGFNTUPN-XPTSAGLGSA-N 302.338 -0.209 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)[C@@H](C)S(C)(=O)=O 1108773537 BZNFZVULUUSOAH-DTWKUNHWSA-N 311.367 -0.880 30 20 DBED C[C@H](CN(C)c1ccc(C#N)nn1)NC(=O)COCCN(C)C 1109038859 ATZVQUSXNCRHOV-GFCCVEGCSA-N 320.397 -0.133 30 20 DBED C[C@@H](CN(C)c1nccnc1C#N)NC(=O)[C@H]1CCNC1=O 1109204826 CCDFMRSPDFEPKV-UWVGGRQHSA-N 302.338 -0.575 30 20 DBED CN(CCCNc1ccc(C#N)nn1)C(=O)Cn1cnnn1 1109375168 PRIIOHXFRHAESB-UHFFFAOYSA-N 301.314 -0.705 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1nnn(C)n1 1110500605 GTRGTOBLWCYVNR-MCYUEQNJSA-N 320.397 -0.241 30 20 DBED CO[C@@H](C)C(=O)NC[C@@]1(O)CCN(c2cncc(C#N)n2)C1 1111026626 TXZGCQJUPRFJDM-HZMBPMFUSA-N 305.338 -0.559 30 20 DBED CC(=O)NCC(=O)N1C[C@H](C)[C@H](CNc2nccnc2C#N)C1 1111233445 SAUFLOZKSNUICR-CMPLNLGQSA-N 316.365 -0.009 30 20 DBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cc1ccc[nH]1 1111431707 HHUMEPWAMNGHCP-MCIONIFRSA-N 315.377 -0.082 30 20 DBED COC(=O)c1nc(=NCCN(CCO)C(=O)[C@H](C)C#N)cc[nH]1 1111436055 PINHDXKTZZKXPT-SNVBAGLBSA-N 321.337 -0.922 30 20 DBED Cc1cc(NCCN(CCO)C(=O)[C@H](C)C#N)nc(CO)n1 1111436122 SDMGFTSRKNBTKC-SNVBAGLBSA-N 307.354 -0.330 30 20 DBED COC[C@@H](C)C(=O)N(CCO)CCN=c1cc[nH]cc1C#N 1111438056 HRELBPNXCBQABE-GFCCVEGCSA-N 306.366 -0.110 30 20 DBED C[C@H](NC(N)=O)C(=O)NCC1(Nc2nccnc2C#N)CCC1 1111786455 RNAQZOJIPPTAPL-VIFPVBQESA-N 317.353 -0.144 30 20 DBED CC(C)OCC(=O)NC[C@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1112710617 ZGZVJJLILAOLQW-RYUDHWBXSA-N 319.365 -0.313 30 20 DBED C[C@H](C#N)C(=O)N1CCN([C@H](C)C(=O)NC(=O)NC2CC2)CC1 1112718212 FUKQHFIDLPRMGR-GHMZBOCLSA-N 321.381 -0.333 30 20 DBED N#Cc1nc(=NCC2CC(NC(=O)CCCC(N)=O)C2)cc[nH]1 1112844210 BPAMWSRFUCYLKV-UHFFFAOYSA-N 316.365 -0.268 30 20 DBED CCn1ncc(C(=O)N2CCN(CC(=O)NCC#N)CC2)c1C 1113450370 JZCFLRPLROPJIA-UHFFFAOYSA-N 318.381 -0.391 30 20 DBED C[C@@H](CNC(=O)CCn1ccnn1)N(C)c1nccnc1C#N 1113579939 YLBUNLJUBSJIMS-NSHDSACASA-N 314.353 -0.029 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)Cn2ccnc2C)CC1 1113634836 YDACPRQIAITZMN-ZDUSSCGKSA-N 317.393 -0.526 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1C)N(C)c1cncc(C#N)n1 1113812958 MKLIQXLFNNNUFQ-JQWIXIFHSA-N 316.365 -0.090 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3cc(C)on3)[C@H]2C1 1113820225 VMNCARWGYZDIMY-YABSGUDNSA-N 304.350 -0.055 30 20 DBED C[C@H](CNC(=O)[C@]1(C)CCNC1=O)N(C)c1cnc(C#N)cn1 1113872120 ISCJVGGUINZSNC-MEBBXXQBSA-N 316.365 -0.185 30 20 DBED N#Cc1c[nH]c(C(=O)NC2[C@@H]3CN(CCOCCO)C[C@@H]23)c1 1114103802 QBBIJKIZQJRHKK-VXGBXAGGSA-N 304.350 -0.445 30 20 DBED COCCOC[C@@H](O)CN1C[C@H]2[C@H](NC(=O)C#CC3CC3)[C@H]2C1 1114255597 LMKLWBXAIGSCMT-LJIGWXMPSA-N 322.405 -0.530 30 20 DBED O=C(C#CC1CC1)NCC1[C@H]2CN(c3ccc4nnnn4n3)C[C@H]12 1114544547 PLKQRMOKOVAUSA-CHWSQXEVSA-N 323.360 -0.269 30 20 DBED C=C(C)C[C@H](C)C(=O)NC1[C@@H]2CN(CC(=O)NC(N)=O)C[C@@H]12 1114722874 PICBTYIVMXKKSA-HBNTYKKESA-N 308.382 -0.170 30 20 DBED CN(C)C(=O)CC(=O)N[C@H]1C[C@H](CN=c2cc[nH]c(C#N)n2)C1 1114820151 CWGSASMCPUOBBO-XYPYZODXSA-N 316.365 -0.445 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)Cc3[nH]cnc3C)[C@H]2C1 1115169279 DMFWACLPBFHPJQ-ATCWAGBWSA-N 317.393 -0.391 30 20 DBED CCNC(=O)CC(=O)N(C)C[C@@H](C)N=c1cc[nH]c(C#N)n1 1115685511 HTVQEUBKULDQEA-SNVBAGLBSA-N 304.354 -0.445 30 20 DBED CS(=O)(=O)NCCNC(=S)Nc1cnn(CC#N)c1 1115960500 UGZARRAQLXOGEC-UHFFFAOYSA-N 302.385 -0.758 30 20 DBED N#CC1CCN(C(=O)C(=O)NCCNC(=O)c2cc[nH]n2)CC1 1117587014 PLEQRWCVNIROHS-UHFFFAOYSA-N 318.337 -0.982 30 20 DBED C=C(C)CN1CCC(NC(=O)C(=O)Nc2ncn(C)n2)CC1 1117708500 GXCHQMZTBVGURZ-UHFFFAOYSA-N 306.370 -0.090 30 20 DBED CN1CCC[C@H]1C(=O)NC[C@@H](CO)Nc1cnc(C#N)cn1 1121242835 ROQFWUDAAIUQFN-RYUDHWBXSA-N 304.354 -0.669 30 20 DBED Cn1cc(C(=O)NC[C@H](CO)Nc2ncc(C#N)cc2F)nn1 1121431850 FDRPOBVGHHDHLE-SECBINFHSA-N 319.300 -0.576 30 20 DBED C[C@]1(C(=O)NC[C@H](CO)Nc2ccc(C#N)nn2)CCOC1 1121914633 QCJVZQSVIIXNBD-RISCZKNCSA-N 305.338 -0.336 30 20 DBED COCCO[C@H](C)C(=O)NC[C@@H](CO)Nc1cncc(C#N)n1 1122012136 GUOUXRLDFCZJSD-PWSUYJOCSA-N 323.353 -0.711 30 20 DBED CCc1nc(C#N)cc(NC[C@@H](O)CN(C)C(=O)COC)n1 1124024068 LBJYVZVUFXHNNR-LLVKDONJSA-N 307.354 -0.212 30 20 DBED CN(C[C@H](O)CNc1cnc(C#N)cn1)C(=O)c1nc[nH]n1 1124461239 XMFDATFLDZBDHI-SECBINFHSA-N 302.298 -0.989 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C[C@H](O)CNc1cncc(C#N)n1 1124518579 AKSJRQYSYHRBRN-DGCLKSJQSA-N 317.349 -0.382 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)COCCOC 1124941456 JRDGYIQDHLQYCK-UHFFFAOYSA-N 313.398 -0.444 30 20 DBED C=CCOCC(=O)N1C[C@H](n2ccnn2)[C@H](N[C@H](C)COC)C1 1129681573 USTMSZHMXWARMH-MCIONIFRSA-N 323.397 -0.143 30 20 DBED C=CCCN[C@@H]1CN(C(=O)Cn2cncn2)C[C@@H]1n1ccnn1 1130112765 QMPYAGFRCYYEHM-OLZOCXBDSA-N 316.369 -0.513 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)c2ccn(C)c(=O)c2)C1=O 1130379347 XJUGZPJEPUYSLS-CYBMUJFWSA-N 318.377 -0.508 30 20 DBED C#CCOCCC(=O)N1C[C@H]2C[C@@H]3CN(CCOC)C[C@]2(C1)O3 1131227110 HIBANHHOQUKROS-BFYDXBDKSA-N 322.405 -0.026 30 20 DBED C#Cc1ccc(C(=O)NCCNCCNS(C)(=O)=O)cc1 1132226593 GTVLQWUVODNKMB-UHFFFAOYSA-N 309.391 -0.464 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1ccc2nonc2c1 1133203697 SVCWJXBUTCROQY-UHFFFAOYSA-N 302.294 -0.818 30 20 DBED Cc1c(C(=O)N[C@H](C)C[C@H](C)NCC(=O)NCC#N)nnn1C 1133993095 CTMSIAAIMAVHCZ-VHSXEESVSA-N 321.385 -0.750 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCCNCCCS(C)(=O)=O 1134054909 UUQRIRDZPOSDQH-NEPJUHHUSA-N 304.412 -0.282 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)C[C@H](C)NCc1ccn(C)n1 1134131360 VFMVOTQTIGBSBU-QWHCGFSZSA-N 319.409 -0.068 30 20 DBED CCOCCn1cc(C(=O)NCCNCC#CCOC)cn1 1135905998 ONXPQZXGPBSVEP-UHFFFAOYSA-N 308.382 -0.111 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@H](OC)c1ccccc1 1148436834 CQJWMWJWQIKLQR-OAHLLOKOSA-N 303.362 -0.171 30 20 DBED CCN(CCC#N)C(=O)CN1CCCO[C@H](CNC(C)=O)C1 1148962605 UTVJQHBQUMTVJV-CQSZACIVSA-N 310.398 -0.024 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1ccc(NC(N)=O)cc1 1150058864 XOLBSSLKVIUHOI-UHFFFAOYSA-N 317.349 -0.754 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)C2(C(=O)NC)CCC2)C1 1150624750 FDCVXUPDIOTCOF-ZDUSSCGKSA-N 307.394 -0.257 30 20 DBED C[C@@H](C#N)C(=O)NCCCNCC(=O)N(C)Cc1cnn(C)c1 1155849435 YEXLYMGRADJVGM-LBPRGKRZSA-N 320.397 -0.366 30 20 DBED C=CCOCCNCCCNC(=O)c1cn(CCOC)nn1 1157874099 JCGUMSZERZPLKG-UHFFFAOYSA-N 311.386 -0.163 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCCNCC(=O)N(C)C1CC1 1160197960 POUKXYCELBGKIF-HNNXBMFYSA-N 320.437 -0.199 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)[C@H](NC(C)=O)C(C)C 1171643117 BUNHUJNQXHIXCX-GXTWGEPZSA-N 324.425 -0.619 30 20 DBED N#CCNC(=O)CNCCCNC(=O)CN1CCCCCC1=O 1175592904 ZHVOSUTXVAVOJM-UHFFFAOYSA-N 323.397 -0.875 30 20 DBED COCC#CCNCCCNC(=O)[C@@H]1CCCS1(=O)=O 1176593657 OLTQVHVEOMNYEI-LBPRGKRZSA-N 302.396 -0.691 30 20 DBED CC#CCN[C@H]1CCN(C(=O)C2CC3(C2)NC(=O)NC3=O)[C@H]1C 1179695883 YYAOSXYNSRENRN-IRDPIATMSA-N 318.377 -0.423 30 20 DBED C#CCCN[C@H]1CCN(C(=O)CN2CC(=O)N(C)C2=O)[C@H]1C 1179916503 JCAOBEJBTIRICY-RYUDHWBXSA-N 306.366 -0.517 30 20 DBED C#CCOCCC(=O)N1C[C@@H](C)[C@](C)(CN[C@@H]2CCNC2=O)C1 1181449215 YTKOXVSMNFSOHC-CKEIUWERSA-N 321.421 -0.011 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)[C@]2(C)CCNC2=O)C1 1185632633 CFCBMLFSWDSGON-IAQYHMDHSA-N 308.382 -0.995 30 20 DBED C=CCCCN[C@@H]1CCN(C(=O)CNS(=O)(=O)N(C)C)C1 1185977146 MWSLMTFWTKVSPP-GFCCVEGCSA-N 318.443 -0.461 30 20 DBED Cc1[nH]nc(C(=O)N2CC[C@@H](N(C)CC(=O)NCC#N)C2)c1C 1189450474 QDDNYDUIWAJZBW-GFCCVEGCSA-N 318.381 -0.187 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(Cc2ccnc(OC)n2)C[C@H]1O 1191807134 KHMLSMLKIPXMOO-CHWSQXEVSA-N 322.365 -0.651 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CN(CCn2cccn2)C[C@H]1O 1199318385 SHZYNWQMNWGLBF-BFHYXJOUSA-N 308.382 -0.365 30 20 DBED C#CCN[C@@H]1C[C@@H](NC(=O)CCS(=O)(=O)NC)C12CCC2 1202927882 BDVBEHZQAHMTEW-VXGBXAGGSA-N 313.423 -0.424 30 20 DBED N#CCNC(=O)CNC1CCN(C(=O)Cc2ccc[nH]2)CC1 1203814434 AQSIREIKOHBSJE-UHFFFAOYSA-N 303.366 -0.222 30 20 DBED C=CCN1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)C(N)=O)C1 1205182098 WVZDYRXYKFLSRB-ZIAGYGMSSA-N 303.362 -0.268 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)c2cnnn2CC)[C@H](C)C1 1206940845 IFVMTZCHOCPWAZ-VXGBXAGGSA-N 320.397 -0.350 30 20 DBED COCC#CCN[C@H]1CCCN(C(=O)[C@@H](C)S(C)(=O)=O)C1 1208426914 OWWYSVXQPPEFAM-OLZOCXBDSA-N 316.423 -0.350 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCCN(C(=O)c2cncn2C)C1 1208504296 IJLSMIUKGBHZAD-QWHCGFSZSA-N 317.393 -0.248 30 20 DBED C#CCN1C[C@@H](NC(=O)C[C@@]2(C)CCS(=O)(=O)N2)[C@H](C)C1 1210635320 DWFDPEUCGIYFHI-YRGRVCCFSA-N 313.423 -0.472 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)C23CCN(CC2)C3)C1 1210674453 WOAIWXQATREMQZ-AWEZNQCLSA-N 320.437 -0.035 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)c2ccn(C)n2)[C@H](C)C1 1211031363 DHTUGJZFOMZNBJ-DGCLKSJQSA-N 305.382 -0.228 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)c2ccn(C)c2)[C@H](OC)C1 1212117663 WKIDOQFHFDWNBZ-ZIAGYGMSSA-N 320.393 -0.244 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)[C@@H]2C[C@H]2CCC)[C@H](OC)C1 1213403646 KOJOKHJUGKJMKM-KBUPBQIOSA-N 321.421 -0.013 30 20 DBED Cc1nonc1C(=O)N1C[C@@H](NCC(=O)NCC#N)[C@H](C)C1 1217037822 LSJPIAUHLPEWIC-PSASIEDQSA-N 306.326 -0.932 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)[C@H](C)NC(=O)CC)C1 1219678751 BFWVYMLFLWDGKY-AXFHLTTASA-N 303.790 -0.185 30 20 DBED Cc1nc(O)nc(C)c1CCC(=O)N[C@@H]1CN(CC#N)C[C@@H]1O 1219796645 KRWCNQVXPLUZQU-OLZOCXBDSA-N 319.365 -0.583 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)COC[C@H]2CCOC2)C1 1220459689 ZOQLPWGIMBQOGG-XQQFMLRXSA-N 318.801 -0.047 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)COCCOCC)C1 1221098121 QGQHMBGXFWTXHP-NEPJUHHUSA-N 306.790 -0.047 30 20 DBED C=CCOCCN1CC[C@@H]2CCN(C(=O)Cn3cnnn3)C[C@@H]21 1222235892 QNSWJVOPNMBMRU-KGLIPLIRSA-N 320.397 -0.202 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1ccnn1C 1225202219 UAVVEFWUWRGYTB-CHWSQXEVSA-N 317.393 -0.200 30 20 DBED Cc1cc(C(=O)NC2CCN(CC(=O)NCC#N)CC2)n[nH]1 1226285398 RKDIJTBNRJVUEU-UHFFFAOYSA-N 304.354 -0.448 30 20 DBED C=C(C)CN[C@@H]1CCCC[C@H]1NC(=O)C[C@H](NC(C)=O)C(N)=O 1228961698 WQNGLUBKZDLMKS-MCIONIFRSA-N 324.425 -0.040 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)c1ccncc1 1230580694 XLCAMZDQBOFHQO-AWEZNQCLSA-N 300.362 -0.023 30 20 DBED C=C[C@H](COC)NC(=O)C1=CC=CN2CCS(=O)(=O)N=C12 1255026088 OBAZXFATZQBXFK-SNVBAGLBSA-N 311.363 -0.199 30 20 DBED N#CC1CCN(C(=O)C(=O)NCc2nc(C(N)=O)cs2)CC1 1261609936 CVULBGZDMMOEEG-UHFFFAOYSA-N 321.362 -0.380 30 20 DBED N#Cc1ccc(CNC(=O)C(=O)NCC(=O)NCC2CC2)cc1 1322227930 XJCKEWLOYUILOU-UHFFFAOYSA-N 314.345 -0.183 30 20 DBED C#CCCCNC(=O)C(=O)N1CCC2(CC1)NC(=O)N(C)C2=O 1322927511 ZFVLMYHTJWIFHX-UHFFFAOYSA-N 320.349 -0.941 30 20 DBED COCCOC[C@@H](C)NC(=O)C(=O)N1CC[C@@](F)(C#N)C1 1323163901 KPRFCFZPIAQYSV-ZWNOBZJWSA-N 301.318 -0.382 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)NC[C@H](C)CN1CCOCC1 1323782890 WCBZIABONGHCNY-QWHCGFSZSA-N 313.398 -0.612 30 20 DBED CCN(C[C@@H](C)C#N)C(=O)COC(=O)CC[C@H]1NC(=O)NC1=O 1323929797 DVZBBAWDLUACNL-VHSXEESVSA-N 324.337 -0.474 30 20 DBED CC1(C)C[C@@H]1C(=O)NC1(CNCC(=O)NCC#N)CCOCC1 1327628878 VOCCZBHMXBBPBT-GFCCVEGCSA-N 322.409 -0.073 30 20 DBED C#CCONC(=O)[C@H]1CCCCN1C(=O)c1ccc(O)nn1 1331263312 MZNJYJDTAHUWBB-LLVKDONJSA-N 304.306 -0.142 30 20 DBED CCN(CC(C)(C)O)C(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1331890748 KUGDIUFABQYULM-CYBMUJFWSA-N 322.409 -0.195 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)N[C@@H]2CCCNCC2)CCN1C1CC1 1333978430 GAOVZBBQVNJHAK-OCCSQVGLSA-N 319.409 -0.557 30 20 DBED C=CCCOCCn1nnnc1N1C[C@H]2C(=O)N(C)C(=O)[C@H]2C1 1335863299 CNEXQQOAXABKQD-PHIMTYICSA-N 320.353 -0.683 30 20 DBED C#Cc1ccc(NC(=O)C(=O)NC[C@H]2CN(C)CCN2C)cc1 1337888551 PLPVYBJIDUHTID-HNNXBMFYSA-N 314.389 -0.032 30 20 DBED C=C(C)Cn1c([C@@H]2CNC(=O)C2)nnc1N1CCNC(=O)C1 1341936396 JPNSZFUQXTUBIE-JTQLQIEISA-N 304.354 -0.606 30 20 DBED NC(=O)CN1CCC[C@H](NC(=O)c2cccc(C#CCO)c2)C1 1353888339 UXGVAYXRLMMGRJ-HNNXBMFYSA-N 315.373 -0.290 30 20 DBED CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)c1ccc(C#N)[nH]1 1361826600 BGHCPHTYTVDHOA-SNVBAGLBSA-N 324.362 -0.738 30 20 DBED N#Cc1cccc(OCC(=O)NC[C@]2(O)CCS(=O)(=O)C2)c1 1362691822 FUGZYGZTRXUATO-CQSZACIVSA-N 324.358 -0.397 30 20 DBED COCC(=O)NCCC(=O)N[C@H]1C[C@H](NC(=O)[C@@H](C)C#N)C1 1372561836 FQTKWJBTCQMJAU-DCAQKATOSA-N 310.354 -0.938 30 20 DBED COCCN(CCNC(=O)[C@H](C)C#N)CC(=O)N1CCCC1 1403979586 ZEBGZGUJZYVMAW-CYBMUJFWSA-N 310.398 -0.167 30 20 DBED COCCN(CCNC(=O)CN1CCCC1=O)C(=O)[C@@H](C)C#N 1405770082 IHXSZEZSFZJRFM-LBPRGKRZSA-N 324.381 -0.640 30 20 DBED Cc1nnc2n1C[C@@H](C(=O)NCCN(C)C(=O)[C@H](C)C#N)CC2 1408585445 QMNTVAHOTNQEPR-PWSUYJOCSA-N 318.381 -0.117 30 20 DBED CC[C@H](CNC(=O)c1ccc(=O)n(C)n1)NC(=O)[C@@H](C)C#N 1409377805 DIZIAQSYHOYTDO-VHSXEESVSA-N 305.338 -0.435 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1cnc2n1CCCC2 1410151832 GYTRKQHFWIQKEA-MNOVXSKESA-N 319.365 -0.414 30 20 DBED CCCNC(=O)[C@H](C)N1CCN(CCNC(=O)[C@@H](C)C#N)CC1 1419134424 UAQCDAQUBSQFBW-KBPBESRZSA-N 323.441 -0.205 30 20 DBED CO[C@@H](CNC(=O)NCCn1cc(C#N)c(O)nc1=O)C1CC1 1434807574 PSBFAZVZYDCJBK-NSHDSACASA-N 321.337 -0.455 30 20 DBED CCC(=O)NCC(=O)N[C@H]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 1494000801 OAONSLLDWZKSTE-XYPYZODXSA-N 317.349 -0.210 30 20 DBED C=C(Cl)CNC[C@@H](O)CNC(=O)CNC(=O)N1CCCC1 1496980528 GLXWDQZDUWCROF-LLVKDONJSA-N 318.805 -0.389 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)[C@@H]2CCCC(=O)N2C)CC1 1535743177 FTERYFOVXOUOKC-MNOVXSKESA-N 306.366 -0.078 30 20 DBED N#Cc1nc(NC(=O)c2cc(F)cnc2O)[nH]c1-c1nn[nH]n1 1581860691 OLGSXSCAIUJGII-UHFFFAOYSA-N 315.228 -0.047 30 20 DBED C#CCNC(=O)CCNCCOc1ccc(-c2nn[nH]n2)cc1 1588354038 DTFHXYPKYWBIJC-UHFFFAOYSA-N 314.349 -0.025 30 20 DBED C#CCN1CCN(C(=O)CN2CCC[C@H](C(=O)O)C2=O)CC1 1588476910 IBHYIVKLXVFOQD-LBPRGKRZSA-N 307.350 -0.913 30 20 DBED C#CCNC(=O)CN1CCN(c2nccnc2C(=O)O)CC1 1588484023 OCCCFGLPBDRVNI-UHFFFAOYSA-N 303.322 -0.954 30 20 DBED C#CCO[C@H](C)C(=O)NCC[C@H](C)N=c1cc[nH]c(C(=O)O)n1 1588490428 MOIJREOQEXEBKR-WDEREUQCSA-N 320.349 -0.058 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C(=O)O)C2CC2)C1=O 1588832657 USLYGJZUIMVLNB-VIFPVBQESA-N 310.262 -0.630 30 20 DBED C[C@H](C(=O)NCC1(C#N)CCC1)n1cnc(-c2nn[nH]n2)n1 1588979446 VVNKUYIWLUDOGO-MRVPVSSYSA-N 301.314 -0.171 30 20 DBED C#CC[C@H](NS(=O)(=O)c1ccc(C(=O)O)o1)C(=O)OC 1602698831 XGGQYKXYSODBEJ-ZETCQYMHSA-N 301.276 -0.179 30 20 DBED C#CCOCCC(=O)NCC1(NC(=O)[C@H]2C[C@H]2C(=O)O)CCC1 1602728364 SKGSAZCJAMRNQN-NWDGAFQWSA-N 322.361 -0.098 30 20 DBED C[C@H](C(=O)N(CC(=O)O)C1CCOCC1)n1cnc(C#N)n1 1602786229 GGGMNXSMOWJOSG-SECBINFHSA-N 307.310 -0.197 30 20 DBED C[C@@H]1COCCN1C1CCN(C(=O)Cn2cnc(C#N)n2)CC1 1645987365 DDWQCLZQHUKIBM-GFCCVEGCSA-N 318.381 -0.139 30 20 DBED C=CCNC(=O)[C@H](C)NC[C@H]1CCCN1C(=O)C(C)(C)C(N)=O 1714338677 NEZZWFTZJPMIJA-NWDGAFQWSA-N 324.425 -0.231 30 20 DBED C#CCNC[C@H]1CCCN1C(=O)[C@@H]1CC(=O)N(CCOC)C1 1716778513 VIOHTBTXAQPLED-ZIAGYGMSSA-N 307.394 -0.305 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H](C)CNC(=O)c1cnc2n1CCC2 1752879162 UZDXZRIPUOQGFY-NWDGAFQWSA-N 317.393 -0.325 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H](C)CNC(=O)Cn1cncc1C 1752887832 GZWUBNMLSIDSSJ-WCQYABFASA-N 307.398 -0.023 30 20 DBED COCC#CCN1[C@H]2CC[C@H]1CN(C(=O)[C@]1(C)CCNC1=O)C2 1753309256 CKHFNGRZPRPDSA-GRDNDAEWSA-N 319.405 -0.162 30 20 DBED C#CCO[C@@H](C)C(=O)NC1CN([C@@H]2CCN(C3CCC3)C2=O)C1 1753377603 FIBHZBLBUQNUGZ-SWLSCSKDSA-N 319.405 -0.022 30 20 DBED C=CCNC(=O)CNC[C@@H](C)CNC(=O)c1cc[n+]([O-])cc1 1753612042 FDVLZTWUDJPZNI-GFCCVEGCSA-N 306.366 -0.422 30 20 DBED C=CCNC(=O)CN(C)CCN(C)C(=O)[C@H](C)n1cncn1 1753851028 PXPBWSPAHAJFMX-LBPRGKRZSA-N 308.386 -0.469 30 20 DBED N#CCSCC(=O)NC[C@@H]1CCN1C[C@H](O)Cn1cccn1 1754473766 PTXXHNMLKWTNOG-STQMWFEESA-N 323.422 -0.309 30 20 DBED CCN(C)CCC(=O)NC1(C)CCN(CC(=O)NCC#N)CC1 1754630485 GXDXWKAZHMMFTN-UHFFFAOYSA-N 323.441 -0.061 30 20 DBED CC#CCN1CC[C@](O)(CNC(=O)[C@@H]2CCCN2C(N)=O)C1 1754761816 CXCLPWLVISRSQI-WFASDCNBSA-N 308.382 -0.894 30 20 DBED C=CCCCN1CC(O)(CNC(=O)C(=O)NCC(F)F)C1 1754769819 NESJIICYXQJJAR-UHFFFAOYSA-N 305.325 -0.503 30 20 DBED CC(C)C#CC(=O)NC1(CNCc2nnn(C)n2)CCOCC1 1755094782 KVEVBVFUYUCMBU-UHFFFAOYSA-N 320.397 -0.376 30 20 DBED CNC(=O)CCCC(=O)N1CCN(C2CN(CC#N)C2)CC1 1755144346 BRARYTMAJLKFOI-UHFFFAOYSA-N 307.398 -0.745 30 20 DBED C#CCNC(=O)CN1CC(CCO)(NC(=O)[C@@H]2CC=CCC2)C1 1755330500 SSSRTMFBLHPFBM-CQSZACIVSA-N 319.405 -0.355 30 20 DBED C#CCN1CC(CCO)(NC(=O)c2ccc3c(c2)nnn3C)C1 1755332727 KEXSOSBYPHNZJD-UHFFFAOYSA-N 313.361 -0.232 30 20 DBED C=CCNC(=O)CN1CC([C@@H](C)NC(=O)C[C@H]2CCC(=O)N2)C1 1755387676 OVFALJBCXCMTAD-DGCLKSJQSA-N 322.409 -0.606 30 20 DBED Cc1ncc(C(=O)N[C@@H](C)CCCNCC(=O)NCC#N)n1C 1755512198 FHHNXKIMNDQUEV-NSHDSACASA-N 320.397 -0.144 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)c2cn(C)nn2)CC1(C)C 1755755507 PIOKZTTWMYXAGZ-GFCCVEGCSA-N 320.397 -0.443 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@@H](O)CN(C)C(=O)c1cccs1 1755771446 LZVYHGIJVBKOIS-VXGBXAGGSA-N 323.418 -0.092 30 20 DBED C#CCOCCC(=O)NC[C@H](C)N(C)C(=O)[C@]1(C)CNC(=O)C1 1756026491 HKMZEBHDSUYATL-LRDDRELGSA-N 323.393 -0.484 30 20 DBED C[C@@H](CN(C)C(=O)CN1CCOCC1)NC(=O)C#CC1CC1 1756445729 STEVBYQZZWZGOI-ZDUSSCGKSA-N 307.394 -0.305 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H](CO)NC(=O)c1cnccc1C 1756521091 JQAKWVXWOVUJNK-CHWSQXEVSA-N 319.361 -0.365 30 20 DBED C=CCCCC(=O)N[C@@H]1CN(C(=O)[C@@H](COC)OC)C[C@H]1O 1757030297 KSEFDSYXDDVWSP-JHJVBQTASA-N 314.382 -0.308 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(C(=O)c2[nH]nnc2C)C[C@H]1OC 1757125275 MZLWCCUVHKIEKR-VXGBXAGGSA-N 319.365 -0.128 30 20 DBED C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ncon2)C1 1779935060 FOAFPTNBQRSREU-IAQYHMDHSA-N 318.333 -0.170 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)C1(C(=O)OC)CC1)CCO2 1783056276 RGRAKYKMYMCGAH-OAHLLOKOSA-N 320.345 -0.597 30 20 DBED C=CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(N)=O 1800518631 BDYGYEVMTRJDNZ-QHBPRCKVSA-N 309.366 -0.582 30 20 DBED C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1CCOC1=O)C2 1801595328 QOVSVXQDIYLYOB-ZSBIGDGJSA-N 305.334 -0.290 30 20 DBED C[C@H](S)C(=O)N1CCCC12CN(C(=O)[C@@H](C)n1cnnn1)C2 1846371580 BEIXVAZSESOWFZ-ZJUUUORDSA-N 324.410 -0.244 30 20 DBED C#CCCC(=O)N1CCCC12CN(C(=O)CNC(=O)OC)C2 1846999546 KMEOILVZOPOPJM-UHFFFAOYSA-N 307.350 -0.041 30 20 DBED C/N=C(\NCc1c(C)noc1C)NC[C@@H]1CN2CCN1CC2 179018681 JWULTCOBIUERFI-CYBMUJFWSA-N 306.414 -0.044 30 20 DBED C#CCN1CCN(C(=O)c2cn(CC3(C)COC3)nn2)CC1 184488770 RRCMDQVOHQXOEQ-UHFFFAOYSA-N 303.366 -0.294 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCC2(O)CCCCC2)C1=O 266593427 SZFLDXLMHQDMTM-UHFFFAOYSA-N 323.349 -0.225 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC(C(=O)NCC(=O)OCC)CC1 269631963 IAMPSAYRKGCNLC-LBPRGKRZSA-N 323.393 -0.484 30 20 DBED CN(C)C(=O)Cn1nc2n(c1=O)CCN(CCC(C)(C)C#N)C2 276517294 YJCLYVUUMBIYEB-UHFFFAOYSA-N 320.397 -0.112 30 20 DBED Cc1noc(C)c1S(=O)(=O)NCC(=O)N1CC(C)(C#N)C1 290952316 VFEJRMDCTAOUCB-UHFFFAOYSA-N 312.351 -0.058 30 20 DBED N#Cc1ccc(N2CC[C@H](N3CCO[C@H](C(N)=O)C3)C2=O)cc1 299478695 ZZOHGMJLXBLANE-KBPBESRZSA-N 314.345 -0.150 30 20 DBED CN(C)c1cc(N=C(O)N2CCn3c(O)nnc3C2)ncn1 329496530 GAJMREAMQCRULR-UHFFFAOYSA-N 304.314 -0.099 30 20 DBED N#Cc1cccnc1N1CCN(C(=O)Cn2cccnc2=O)CC1 332495021 DORDXNQBCWIPMZ-UHFFFAOYSA-N 324.344 -0.141 30 20 DBED CCN1CCC[C@H](CNS(=O)(=O)N2CCO[C@H](C#N)C2)C1 336948789 QXJBONUQLUCJNV-CHWSQXEVSA-N 316.427 -0.223 30 20 DBED C=CCOCC(=O)N(CCN1CCN(C)CC1)CC(=O)OC 337056798 CRMPJLOBYVNNAA-UHFFFAOYSA-N 313.398 -0.562 30 20 DBED CN(CC(=O)NCC#N)C[C@H]1C[C@@H](F)CN1Cc1ccnn1C 348098983 GLRLBNUJTUETEN-TZMCWYRMSA-N 322.388 -0.096 30 20 DBED Cc1nn(C)c(N2CCN(CCC(=O)NC(N)=O)CC2)c1C#N 349856334 RSRCFKCHWJVIPB-UHFFFAOYSA-N 319.369 -0.693 30 20 DBED C[C@@H](C#N)S(=O)(=O)NCCCn1nc2n(c1=O)CCCC2 352405700 IYOIKPRIGJAPBT-JTQLQIEISA-N 313.383 -0.397 30 20 DBED COCCc1ccc(S(=O)(=O)NCC(=O)NCC#N)cc1 352513276 WUMJQDDSSCXFRA-UHFFFAOYSA-N 311.363 -0.206 30 20 DBED N#CCCN(CCN1CCOCC1)CC(=O)N1CCNC1=O 357634445 GHVMRNCTICZLRD-UHFFFAOYSA-N 309.370 -0.914 30 20 DBED N#CCNC(=O)CNC(=O)N1CC(O)(c2ccc(F)cc2)C1 365811304 CGSJFANMCDPOMG-UHFFFAOYSA-N 306.297 -0.322 30 20 DBED CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)[C@H](N)CCCC#N 424087523 ICHSZRPJTDGFOI-NWDGAFQWSA-N 316.427 -0.062 30 20 DBED C=C[C@@H](CO)NC(=O)[C@H](CCSC)NS(=O)(=O)CC 426849975 WWBYTQQPOSNUKG-UWVGGRQHSA-N 310.441 -0.290 30 20 DBED Cc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H](C)S(N)(=O)=O 442363499 YPKKJKXZJNENIV-SECBINFHSA-N 324.362 -0.402 30 20 DBED C=C(C)CN(CC)C(=O)C(=O)Nc1ccn(CC(=O)N(C)C)n1 445936207 XYHLYUUYJCPUOC-UHFFFAOYSA-N 321.381 0.334 30 20 DBED CCOC(=O)CC1(S(=O)(=O)N2CC(O)(CC#N)C2)CC1 451409446 AMWDEHCCSQYPPI-UHFFFAOYSA-N 302.352 -0.238 30 20 DBED C#CCN(C)CCCNC(=O)NCc1nnnn1CC1CC1 491327853 YKVKYKKQGOPPPG-UHFFFAOYSA-N 305.386 -0.163 30 20 DBED CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC#CCO 496512187 JVCUNMBCRKFNGR-JTQLQIEISA-N 314.338 -0.445 30 20 DBED CCOC(=O)[C@@](C)(O)CN(C)CCCc1[nH]nc(N)c1C#N 547787152 MOLCPCXJQMOZBY-AWEZNQCLSA-N 309.370 0.042 30 20 DBED C=CCOC[C@H](NS(=O)(=O)c1c(C)cnn1C)C(=O)O 577219264 XLWJDCWGDOKWLK-VIFPVBQESA-N 303.340 -0.337 30 20 DBED COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)Nc2ccn(CCC#N)n2)C1 592229947 SPOVJAAOPMIXRU-GHMZBOCLSA-N 321.337 0.184 30 20 DBED C[C@@H]1CN(S(=O)(=O)N2CCO[C@@H](C#N)C2)C[C@]1(C)CO 595381892 LMOKKXPXZHXVMP-GRYCIOLGSA-N 303.384 -0.594 30 20 DBED N#Cc1ccnc(N2CCN(C(=O)[C@H]3CCO[C@H]3CN)CC2)c1 595918370 ACIINCFUUYGGQX-KBPBESRZSA-N 315.377 -0.034 30 20 DBED CC(C)(C)N1C[C@H](CNC(=O)NCC(=O)NCC#N)CC1=O 596598493 ITVOIPSQQONTCQ-JTQLQIEISA-N 309.370 -0.428 30 20 DBED Cc1cc(CN(C)C(=O)C(=O)N2CCN(CCC#N)CC2)no1 601431031 CPCWFFOPPJFVOL-UHFFFAOYSA-N 319.365 -0.001 30 20 DBED CN(C)C(=O)Cn1ccc(=NC(=O)N=c2[nH]n(C)cc2C#N)[nH]1 615025499 ZFEIWAYVUXMHAP-UHFFFAOYSA-N 316.325 -0.936 30 20 DBED COCCn1cc(NC(=O)C(=O)N2CC[C@](F)(C#N)C2)cn1 615631927 ICNGOPZGWYATTE-ZDUSSCGKSA-N 309.301 -0.068 30 20 DBED C#CCOc1ccc(NC(=O)C(=O)NCC(=O)N(C)C)cc1 731125274 BOASHIBWEXKAAS-UHFFFAOYSA-N 303.318 -0.159 30 20 DBED Cn1cc(C(=O)Nc2cc(C#N)ccc2O)c(=O)n(C)c1=O 748409969 BDDONELQHBOQPS-UHFFFAOYSA-N 300.274 -0.086 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 751653648 WKSMLLSIOSPPJH-UWVGGRQHSA-N 304.306 -0.556 30 20 DBED COc1cc(N)c([N+](=O)[O-])cc1C(=O)OCC(=O)NCC#N 753450949 BOAICERMSUPQAL-UHFFFAOYSA-N 308.250 -0.018 30 20 DBED C#CCCCNC(=O)C(=O)NC1CCN(CCN(C)C)CC1 787137883 MIWCNIYLZNIEHS-UHFFFAOYSA-N 308.426 -0.342 30 20 DBED CC(=NNC(=S)NCCN1CCOCC1)c1ccc(O)nn1 790143192 BPJCHVYOZUFWQG-UHFFFAOYSA-N 324.410 -0.298 30 20 DBED N#Cc1ccc(NCC(=O)NC[C@@H]2CC(C(N)=O)=NO2)cc1 793906541 ZDDJFEOJKYENAN-NSHDSACASA-N 301.306 -0.283 30 20 DBED C#CCC[C@H](O)CNC(=O)NC[C@H]1CC[C@H](C(=O)N(C)C)O1 798451030 WZNWGJGXLHQTCM-YNEHKIRRSA-N 311.382 -0.304 30 20 DBED C#CCCS(=O)(=O)N[C@H](C)C(=O)N[C@@H](C)C(=O)OCC 808308368 BSOLIYFYIUZXLI-ZJUUUORDSA-N 304.368 -0.615 30 20 DBED C#C[C@@H](NC(=O)NCCCn1cc(CO)nn1)[C@@H]1CCCO1 812199557 BDDINCWWODSCQH-OLZOCXBDSA-N 307.354 -0.360 30 20 DBED CN(C)S(=O)(=O)CCNC(=O)COc1cccc(C#N)c1 812389040 CERUKFJXBMDDTH-UHFFFAOYSA-N 311.363 -0.055 30 20 DBED C=C[C@@H](O)C(=O)OCC(=O)N1CCN(C(=O)OCC)CC1 814552057 ZZYBAIFASFCCMV-SNVBAGLBSA-N 300.311 -0.623 30 20 DBED C#Cc1cnc(N2CCN(C(=O)C(=O)N3CCCC3)CC2)nc1 827411216 MSQICYRVCCWHOM-UHFFFAOYSA-N 313.361 -0.271 30 20 DBED COC(=O)N1C[C@H]2C=C[C@H]1[C@H](C(=O)N[C@@H]1CNC[C@H]1C#N)C2 834484433 IUJRSXGTLPDKIV-CLPYTZEMSA-N 304.350 -0.143 30 20 DBED C#CCOCCC(=O)NS(=O)(=O)c1ccc2nn[nH]c2c1 838914920 RUIFEEXQZGTELX-UHFFFAOYSA-N 308.319 -0.197 30 20 DBED CCNC(=O)CN1CCCN(C(=O)C#CC2CCNCC2)CC1 852883665 NAZNGDSTJFKIEA-UHFFFAOYSA-N 320.437 -0.340 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N(C[C@H](C)O)[C@H](C)CO 875595862 FWPGXAZNXFFHDC-FRRDWIJNSA-N 314.382 -0.879 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N1CCN(CC)C(=O)C1 875596627 QMMMCPMFPZFALB-GFCCVEGCSA-N 309.366 -0.778 30 20 DBED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NCCN1CCNC1=O 898046960 ZGPHFISPCPIXED-NWDGAFQWSA-N 324.381 -0.775 30 20 DBED C#CC1(O)CCN(C(=O)Cn2nnc3ccccc3c2=O)CC1 899111475 KLEGKPDOMWVFHO-UHFFFAOYSA-N 312.329 -0.222 30 20 DBED C=CCN(CC(=O)OCC)C(=O)CN1CCCS1(=O)=O 921296284 DEVUGYDEQQBEHC-UHFFFAOYSA-N 304.368 -0.400 30 20 DBED C#CCN1CCN(C(=O)CN2[C@@H](C)[C@@H](C)NC(=O)[C@H]2C)CC1 930830043 AKVGUQXBOKVCKL-HZSPNIEDSA-N 306.410 -0.639 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)Cn3cncn3)C2)cn1 938374059 WMRLJKXUTMHPPN-AWEZNQCLSA-N 324.344 -0.315 30 20 DBED C=CCn1cc(C(=O)N2CC[C@@H](NC(=O)c3cn[nH]c3)C2)nn1 939556766 MUIUXYSNACWLKQ-LLVKDONJSA-N 315.337 -0.168 30 20 DBED C=CCn1cccc1C(=O)N[C@H]1[C@H]2C[C@H]1N(C(=O)CC(N)=O)C2 947353756 FJAJWZWHKQZIRR-NVBFEUDRSA-N 316.361 -0.121 30 20 DBED C[C@@H](C#N)C(=O)N1CC(N(C)C(=O)c2cncc(C(N)=O)c2)C1 954340710 VCZKMXBBCSNTCN-VIFPVBQESA-N 315.333 -0.377 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2nc[nH]n2)C1 955021006 APSKVWBKFLWRIY-LBPRGKRZSA-N 316.365 -0.815 30 20 DBED CN(C(=O)Cc1nc[nH]n1)C1CN(C(=O)c2cc(C#N)c[nH]2)C1 955387632 YDFCAOFLCNVYLV-UHFFFAOYSA-N 313.321 -0.470 30 20 DBED CS(=O)(=O)CCN1C[C@H]2C(NC(=O)c3cc(C#N)c[nH]3)[C@@H]2C1 958499677 HNYRWFJAQJTBFW-GHMZBOCLSA-N 322.390 -0.409 30 20 DBED C=C1CCC(C(=O)N(C)[C@H]2CN(C(=O)C(N)=O)C[C@@H]2O)CC1 958949360 JCJQUSSQMPAXNP-RYUDHWBXSA-N 309.366 -0.752 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2[C@@H]3CN(Cc4nc(O)n[nH]4)C[C@@H]32)nc1 962341638 JPEIJXFWYSTHKZ-YABSGUDNSA-N 324.344 -0.253 30 20 DBED C[C@H](C#N)C(=O)N1CC2(C[C@@H](NC(=O)c3cnccn3)CO2)C1 965621520 DJHAFFSLFKMUBO-GHMZBOCLSA-N 315.333 -0.264 30 20 DBED C#CCN(C)[C@H]1CCN(C(=O)CN2C(=O)CC(C)(C)C2=O)C1 971544410 AWGIJCZZPDYJCX-LBPRGKRZSA-N 305.378 -0.063 30 20 DBED C#CCCN1CCO[C@@]2(CCN(C(=O)Cc3n[nH]c(C)n3)C2)C1 972381000 KRMZWSWBLQBLDO-INIZCTEOSA-N 317.393 -0.018 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)[C@@H]3CCN(C)C(=O)C3)C2)C1 972437851 MABJPAMVCHJOAC-PBHICJAKSA-N 319.405 -0.209 30 20 DBED COc1c(C(=O)N[C@H]2[C@@H]3CN(C(=O)[C@H](C)C#N)C[C@@H]32)cnn1C 976922376 RBVHEUZGFMXGFF-YJQGPUDQSA-N 317.349 -0.225 30 20 DBED C=CCCn1cc(C(=O)N[C@@H]2CN(CC(N)=O)CC2(C)C)nn1 977282073 AXOBWBMEJZHDHB-GFCCVEGCSA-N 320.397 -0.220 30 20 DBED CN(C[C@@H]1CCN1C(=O)c1cnn[nH]1)C(=O)c1cc(C#N)c[nH]1 977528603 LLTVJTJTENYSFF-JTQLQIEISA-N 313.321 -0.009 30 20 DBED C#CCN1C[C@@H]2C(CNC(=O)c3cn([C@@H]4CCOC4)nn3)[C@H]2C1 978968656 LXGHVMDVIGRFKU-MRVWCRGKSA-N 315.377 -0.220 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CC[C@@H]3CN(C(=O)C(N)=O)C[C@H]32)c[nH]1 979938381 QSIOSYZRYJLJLU-GGZOMVNGSA-N 315.333 -0.662 30 20 DBED C#CCN1CCCC2(C1)CN(C(=O)c1nccnc1C(N)=O)C2 982141497 GMICDNRQOBYIHI-UHFFFAOYSA-N 313.361 -0.253 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(CC1)C[C@H](C)N(C(=O)C(N)=O)C2 982264502 YKRDXYFHIXMCPH-QWRGUYRKSA-N 306.366 -0.139 30 20 DBED C[C@H](C#N)C(=O)N1CCCCC[C@@H](NC(=O)c2nnn(C)n2)C1 987138481 YEDDHEWKTZVXJI-GHMZBOCLSA-N 319.369 -0.129 30 20 DBED C[C@@H](C#N)C(=O)N1CCCCC[C@@H](NC(=O)c2nnn(C)n2)C1 987138484 YEDDHEWKTZVXJI-WDEREUQCSA-N 319.369 -0.129 30 20 DBED CN1CC[C@H](C(=O)NC2CN(C(=O)c3cc(C#N)c[nH]3)C2)C1 991714590 ZQEANTGSWUJGHK-NSHDSACASA-N 301.350 -0.221 30 20 DBED Cc1nonc1CC(=O)NC1CN(C(=O)c2c[nH]c(C#N)c2)C1 998907192 OPYZZAOMOKHGAR-UHFFFAOYSA-N 314.305 -0.239 30 20 DBED CN(C(=O)[C@H]1CCc2nnc(O)n2C1)C1CC(NCC#N)C1 999008584 DDLSBTCIAITMER-WHXUTIOJSA-N 304.354 -0.351 30 20 DBED O=C(C#CC1CC1)N1CCN(C(=O)CN2CCCNC2=O)CC1 1011107914 AXDWYZDVXJJDDN-UHFFFAOYSA-N 318.377 -0.514 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C(=O)c2cccc(=O)n2C)CC1 1012331436 VJTGILFRRJCBAQ-LLVKDONJSA-N 302.334 -0.171 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H](C(=O)N2CCN(CCO)CC2)C1 1018364664 WWURPGRILYBCTD-ZIAGYGMSSA-N 322.409 -0.479 30 20 DBED C[C@H](C#N)C(=O)N1CCCO[C@H](CNC(=O)c2ncccn2)C1 1019655626 NWUYFWKQXATMMS-VXGBXAGGSA-N 317.349 -0.016 30 20 DBED C=CCn1cc(C(=O)N[C@H]2C[C@@H](N[C@@H]3CCCNC3=O)C2)nn1 1022825162 USWPMUASSVPPFA-GRYCIOLGSA-N 318.381 -0.407 30 20 DBED Cc1ncncc1C(=O)N[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1O 1023122150 HMTSTHUKZPZILU-GGZOMVNGSA-N 303.322 -0.754 30 20 DBED C#CCCN1CCC[C@H](CNC(=O)[C@@H]2CCS(=O)(=O)N2)C1 1023753677 LUCKXQGLDLRHHT-OLZOCXBDSA-N 313.423 -0.470 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCNC3=O)C[C@H]2O)C1 1025548495 GNHLAKHRQBDLTI-QJPTWQEYSA-N 321.377 -0.833 30 20 DBED C=CCN[C@@H]1CC[C@@H]2CN(C(=O)CN3C(=O)CN(C)C3=O)C[C@H]21 1026415803 LUPJTPIDHVPXMO-JHJVBQTASA-N 320.393 -0.107 30 20 DBED C=CCCn1cc(C(=O)NC2CN([C@H]3CCNC3=O)C2)nn1 1031080171 ZICYKJFQVRNTHT-LBPRGKRZSA-N 304.354 -0.843 30 20 DBED C=CCn1cc(C(=O)NCC2CN([C@H]3CCN(C)C3=O)C2)nn1 1032035052 LUTVNBOOULWQAK-ZDUSSCGKSA-N 318.381 -0.644 30 20 DBED C#CCCN1CC[C@@H](N(C)C(=O)Cn2nc(C)n(C)c2=O)C1 1033624672 BEODRZJQWRWMPT-CYBMUJFWSA-N 305.382 -0.554 30 20 DBED N#CCN1CCO[C@H](CNC(=O)c2cnc3nccnc3c2)C1 1035396744 RFMNIEVSNVMCCK-GFCCVEGCSA-N 312.333 -0.021 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)c2cn(C)c(C)cc2=O)C1 1035411727 IFTQHOBXMOCTNE-ZDUSSCGKSA-N 303.362 -0.242 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2CN([C@@H](C)C(N)=O)CCO2)cc1 1035471252 PYHNBQUBQRBBEU-WFASDCNBSA-N 315.373 -0.028 30 20 DBED Cc1ccn2ncc(C(=O)NC[C@@H]3CN(CC#N)CCO3)c2n1 1035579729 CDTCYVUMVKUQBS-GFCCVEGCSA-N 314.349 -0.008 30 20 DBED C=CCn1cc(C(=O)N2CC[C@@H]3[C@@H](CCN3CC(N)=O)C2)nn1 1036837845 OZTZPMFFYYWRTK-WCQYABFASA-N 318.381 -0.514 30 20 DBED CC#CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1cnc(O)n(C)c1=O 1037538394 GOMHXHVUEWNGAU-ADEWGFFLSA-N 302.334 -0.688 30 20 DBED O=C(C#CC1CC1)NC[C@]1(O)CCN(C(=O)[C@H]2CCCO2)C1 1039677170 DXZWEAZEBWQEPQ-CZUORRHYSA-N 306.362 -0.342 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)c2c[nH]c(C#N)c2)C1 1040763894 SLKYUPDQYKALRB-BONVTDFDSA-N 315.333 -0.261 30 20 DBED Cc1cnn(C)c1C(=O)N1CC[C@@](O)(CNC(=O)[C@@H](C)C#N)C1 1040770933 WBJRQXYIDKESRW-ZUZCIYMTSA-N 319.365 -0.419 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)c2ccnnc2)C1 1041015675 KEXWEORSOKDQBQ-YGRLFVJLSA-N 303.322 -0.671 30 20 DBED C[C@@]1(C(=O)N[C@@H]2CN(c3ccc(C#N)nn3)C[C@H]2O)CCOC1 1041146768 DHJYVIBMQOZKTN-LALPHHSUSA-N 317.349 -0.559 30 20 DBED N#Cc1ccc(NC[C@@H]2CN(C(=O)CC(N)=O)CCCO2)nn1 1041486081 DVMZFYAVDPPCKM-LLVKDONJSA-N 318.337 -0.747 30 20 DBED C[C@@H]1CN(c2nccnc2C#N)C[C@H]1NC(=O)[C@H]1C[C@H]1C(N)=O 1042496167 NGKRQBJSKIZWBU-MWGHHZFTSA-N 314.349 -0.589 30 20 DBED C=C(C)CCC(=O)NCC1(O)CN(C(=O)[C@@H]2COC(=O)N2)C1 1043311701 XRUGBEFWMWAYOX-JTQLQIEISA-N 311.338 -0.859 30 20 DBED CC(C)[C@@H](C(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1)N(C)C 1043471782 LXZVMKPKKPTCKS-HNNXBMFYSA-N 321.421 -0.325 30 20 DBED C=C(C)CCC(=O)N1CC(O)(CNC(=O)[C@H](C)CC(N)=O)C1 1044419776 ZZGXPPPMWMTUQP-LLVKDONJSA-N 311.382 -0.456 30 20 DBED Cc1c(C(=O)N2CC(O)(CNC(=O)[C@@H](C)C#N)C2)cnn1C 1045539985 BNTKLNYFNAJSQB-VIFPVBQESA-N 305.338 -0.809 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)c2cnn3c2CCC3)C1 1045564031 BHECUWTZIBOGDT-SNVBAGLBSA-N 317.349 -0.708 30 20 DBED C#CCN1CC[C@@H](N2CCN(C(=O)Cc3nnc(C)o3)CC2)C1 1046026587 ZYGAZNAHKDZUGC-CQSZACIVSA-N 317.393 -0.228 30 20 DBED CN(C(=O)[C@H]1CCCc2n[nH]cc21)[C@H]1CN(CC#N)C[C@@H]1O 1047381555 NLQLPZBYCVMDFG-BPNCWPANSA-N 303.366 -0.143 30 20 DBED CN(C(=O)[C@H]1CCc2nc[nH]c2C1)[C@H]1CN(CC#N)C[C@@H]1O 1047590055 WRKRJMDGSZAJEY-BPNCWPANSA-N 303.366 -0.458 30 20 DBED CC(C)C#CC(=O)N(C)[C@H]1CN(C(=O)[C@H]2COCCO2)C[C@@H]1O 1048798777 MFIYJOZKORFSGJ-MELADBBJSA-N 324.377 -0.909 30 20 DBED CN1CCCC[C@H](C(=O)NC[C@H]2COCCN2CC#N)C1=O 1051209757 MQPCKDHSPIVZCQ-QWHCGFSZSA-N 308.382 -0.415 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)c1ccc(C(=O)NC)nc1 1051210892 PHMYYONWCJAIQZ-ZDUSSCGKSA-N 316.361 -0.495 30 20 DBED C#CCN1CC2(CC[C@@H](CNC(=O)c3cc[n+]([O-])cc3)O2)C1 1053567820 GAVDWMUXRUVUBK-AWEZNQCLSA-N 301.346 -0.084 30 20 DBED C=CCN1CC2(C[C@@H](NC(=O)[C@@H]3CCS(=O)(=O)C3)CO2)C1 1053865059 QBAJUDXBNSMZPG-VXGBXAGGSA-N 314.407 -0.433 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)[C@@H]3CCCCC(=O)N3)CO2)C1 1053921650 KKOMCMAJORFREG-RYUDHWBXSA-N 306.366 -0.472 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2COC3(C2)CN(CCO)C3)nc1 1053984967 HOPHGRSSABJSNP-ZDUSSCGKSA-N 301.346 -0.372 30 20 DBED C#CCO[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](CNC(=O)C(N)=O)C2 1054517966 RNKHFNARWCKKTJ-FVCCEPFGSA-N 321.377 -0.604 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H]2CN(C(=O)[C@H]3C[C@@H]3C)C[C@H]2C1 1055138779 NVJCJXMGYGELKF-FQUUOJAGSA-N 317.389 -0.301 30 20 DBED C=CCOCC(=O)N1CCC[C@](CO)(NC(=O)C(F)F)C1 1055680221 QSIPKUODVPHLAA-ZDUSSCGKSA-N 306.309 -0.076 30 20 DBED N#Cc1ccc(N2C[C@H]3[C@H](NC(=O)[C@H]4COC(=O)N4)[C@H]3C2)cn1 1056192941 APMZQWQOFJZKFX-XQHKEYJVSA-N 313.317 -0.388 30 20 DBED N#Cc1cncc(N2C[C@H]3C(NC(=O)[C@@H]4CCNC4=O)[C@@H]3C2)n1 1056355229 GXJWNJROFXRJJK-GMTAPVOTSA-N 312.333 -0.965 30 20 DBED N#Cc1cnc(N[C@@H]2CCN(C(=O)[C@@H]3COC(=O)N3)C2)cn1 1056618193 ONXHTNRIBDUDRG-SCZZXKLOSA-N 302.294 -0.531 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)[C@H]1CCN(C)C1=O 1057174877 LZGSFVDFELGYPA-GFCCVEGCSA-N 311.382 -0.632 30 20 DBED O=C(C#CC1CC1)NCCN(CCO)C(=O)[C@@H]1CCCOC1 1057182016 TUTWZOFBKPYAJG-CQSZACIVSA-N 308.378 -0.237 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)[C@H](COC)OC 1057445010 CICIGKUYHXEYJR-ZDUSSCGKSA-N 314.382 -0.612 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)CN1CCCC1 1057640510 KFIPZVILCNVHLM-UHFFFAOYSA-N 309.410 -0.321 30 20 DBED C=CC(C)(C)C(=O)N(CCO)CCNC(=O)c1cnn(C)n1 1058302137 GUCWNXJSDCTBDK-UHFFFAOYSA-N 309.370 -0.422 30 20 DBED N#Cc1ccc(N2CC[C@@H](NC(=O)[C@@H]3CCNC3=O)C2)nn1 1058507892 PXHOKVXOMXIEKP-GHMZBOCLSA-N 300.322 -0.821 30 20 DBED C#CCCCCC(=O)NCCN(CCO)C(=O)[C@H]1C[C@H]1C(N)=O 1058854366 YDADLSZEVQEKDQ-OLZOCXBDSA-N 323.393 -0.762 30 20 DBED N#Cc1nccnc1N[C@H]1C[C@H](NC(=O)[C@H]2COCCO2)C1 1059161293 GFBWJVLWRBSWBB-CKYFFXLPSA-N 303.322 -0.177 30 20 DBED C=CCOCC(=O)NC[C@@H]1COCCN1C(=O)[C@H](CC)OC 1061421132 JGCUFGWGVSRPKK-OLZOCXBDSA-N 314.382 -0.042 30 20 DBED CC(=O)N[C@@H](C)C(=O)N1CCOC[C@@H]1CNC(=O)C#CC1CC1 1061570304 YBFHMCDSHKXZAQ-FZMZJTMJSA-N 321.377 -0.732 30 20 DBED Cc1cncn1CC(=O)NC[C@H]1COCCN1C(=O)[C@@H](C)C#N 1061711303 HBYVBTPCGBXXCE-AAEUAGOBSA-N 319.365 -0.305 30 20 DBED Cc1cc(C(=O)N2CCOC[C@@H]2CNC(=O)[C@@H](C)C#N)cnn1 1061846164 BOIOBLHEIOCRSD-GWCFXTLKSA-N 317.349 -0.098 30 20 DBED Cc1nonc1CC(=O)N1CCOC[C@H]1CNC(=O)[C@H](C)C#N 1061847478 LFUGKELKNXTDSI-MWLCHTKSSA-N 321.337 -0.576 30 20 DBED CN(C(=O)[C@H]1CCC(=O)N1)[C@H]1CCN(c2cnc(C#N)cn2)C1 1062900239 WAFDHLHRPFVSDW-NWDGAFQWSA-N 314.349 -0.336 30 20 DBED CN(C(=O)[C@@H]1CNC(=O)N1)[C@H]1CCN(c2ncccc2C#N)C1 1063025408 VTGOAJGQQJOSLA-RYUDHWBXSA-N 314.349 -0.328 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1(NC(=O)C(N)=O)CCC1 1063205148 RPWFLVMCMCUAKX-QWRGUYRKSA-N 309.366 -0.392 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)[C@@H]2CC(=O)N(C)C2)CCC1 1064310879 SDYWYZKXFUUEKO-GHMZBOCLSA-N 306.366 -0.221 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CCC1 1064539436 GYPRZVYUHXBAPB-GARJFASQSA-N 322.365 -0.666 30 20 DBED C=C(C)CCC(=O)NC[C@H]1CN(C(=O)CNC(N)=O)CCO1 1064837025 XPTVSJUUYLSPPP-NSHDSACASA-N 312.370 -0.645 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)CNC(=O)CC)CCO1 1064982682 INLUARGDBQRRCF-CYBMUJFWSA-N 323.393 -0.340 30 20 DBED C=C(C)CCC(=O)N1CCO[C@@H](CNC(=O)[C@H]2CCNC2=O)C1 1065227265 YXGLTANEBXROII-STQMWFEESA-N 323.393 -0.178 30 20 DBED C#Cc1ccc(C(=O)N2CCO[C@H](CNC(=O)COC)C2)cn1 1065401079 JQMKGGBMSLNIJU-CQSZACIVSA-N 317.345 -0.334 30 20 DBED N#Cc1nccc(N2C[C@H](O)[C@H](CNC(=O)c3cccnc3)C2)n1 1067643454 WTIZBXQKAFFSFP-OLZOCXBDSA-N 324.344 -0.030 30 20 DBED C[C@]12CN(C(=O)C(N)=O)C[C@@]1(C)CN(c1cnc(C#N)cn1)C2 1068427165 VIWWQLYOFJSMEV-GASCZTMLSA-N 314.349 -0.492 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1COC2(C1)CN(C(=O)CC(=O)NC)C2 1068943855 SLSKCTXTHCBPTH-NSHDSACASA-N 323.393 -0.179 30 20 DBED C#CCCCC(=O)NC1(CNC(=O)CNC(C)=O)CCOCC1 1070090569 HRNNSAMXJXYROH-UHFFFAOYSA-N 323.393 -0.292 30 20 DBED C=CCN[C@@H]1CN(C(=O)Cc2cncnc2)C[C@@H]1n1ccnn1 1070185165 HJUFLBCUOCUNKT-KGLIPLIRSA-N 313.365 -0.162 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCC[C@@H](NC(=O)[C@H]2CCC(=O)N2)C1 1070667341 CAWLZOLPJMZDKL-XHBSWPGZSA-N 323.393 -0.301 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)[C@@H](C)n4cncn4)C[C@@]3(C1)O2 1070790591 ZTJZYOXAVDFNET-IXYNUQLISA-N 315.377 -0.226 30 20 DBED C=CCCN1C[C@H]2C[C@H]3CN(C(=O)c4nnn(C)n4)C[C@@]3(C1)O2 1070840181 RVBUHYJGOLIYOD-YWPYICTPSA-N 318.381 -0.299 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)CNC(=O)C1CC1 1072048462 LKCIFRVDJIWESW-BXUZGUMPSA-N 317.389 -0.111 30 20 DBED CC(C)C#CC(=O)N1C[C@H](C)[C@H](NC(=O)C2(C(N)=O)CC2)C1 1072048485 LLHVTBJGVJGRFC-NWDGAFQWSA-N 305.378 -0.126 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(C(=O)CCNC(N)=O)C[C@H]1C 1072073850 GEITUELSZFKGCS-VXGBXAGGSA-N 324.381 -0.952 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(C(=O)Cn2nccn2)C[C@@H]1C 1072184443 WDZCOMHVSCGEDE-QWHCGFSZSA-N 321.381 -0.166 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)CC[C@@H]1NC(=O)CNC(N)=O 1073704589 JXMFCLBPMBALMH-PWSUYJOCSA-N 306.366 -0.579 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(C(=O)Cc2nc[nH]n2)C[C@H]1C 1073818474 ZUJUYGCUERELSE-NEPJUHHUSA-N 321.381 -0.097 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@@H]3OCCN(CCO)[C@@H]3C2)[nH]1 1074219796 WJFVUFKHQHPGMX-KGLIPLIRSA-N 304.350 -0.206 30 20 DBED C#CCCN1CCO[C@H]2CCN(C(=O)Cn3cncn3)C[C@@H]21 1074400948 XKDLAZDFISOMPL-KBPBESRZSA-N 303.366 -0.397 30 20 DBED C#CCOCCC(=O)N1CC[C@H](NC(=O)CC(N)=O)C[C@@H]1C 1074912657 WIZPRRGIJUXRAZ-RYUDHWBXSA-N 309.366 -0.603 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)c2cn(C)nc2[C@H]2CCOC2)C1 1077457287 JNFFCAIOTQGQSG-IACUBPJLSA-N 320.393 -0.115 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)Cn2nnc3c2CCCC3)C1 1077689971 PGOYLKPAMJZVSY-UKRRQHHQSA-N 317.393 -0.659 30 20 DBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(CC(N)=O)C[C@H]1O 1077807288 KKGVDUFUOLHHCT-SFTQSGBHSA-N 311.382 -0.996 30 20 DBED COCC(=O)NC[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1O 1081178058 KSUXZBRMTBSQQH-ZYHUDNBSSA-N 306.322 -0.918 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](O)[C@@H](CNC(=O)CNC(C)=O)C1 1081202868 VQZUCETXXNSEEY-NWDGAFQWSA-N 311.382 -0.730 30 20 DBED C=CCCOCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cocn2)C1 1081340601 FKPLJPARGKEXCN-YPMHNXCESA-N 323.349 -0.184 30 20 DBED CC(C)(O)CC(=O)N1C[C@@H](O)[C@H](CNC(=O)C#CC2CC2)C1 1081470771 FSOYUAWCNXHACD-CHWSQXEVSA-N 308.378 -0.504 30 20 DBED C=CCCC(=O)N1C[C@H](CNC(=O)c2cn(CC)nn2)[C@@H](O)C1 1081724387 HZAMEYXSZKRZLP-AAEUAGOBSA-N 321.381 -0.187 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CCCCN1C(=O)Cn1ncnn1 1082093362 PGQBPKPEFLKWOX-ZDUSSCGKSA-N 316.365 -0.416 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CN(CC#CC)C[C@H]2OC)nn1 1082214330 RNFXGDSAXOKOIC-TZMCWYRMSA-N 303.366 -0.084 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@H](C)N1CCCCC1=O 1082383449 XWRSBMJRSPDXOA-YNEHKIRRSA-N 308.382 -0.274 30 20 DBED C=CCN1CC[C@@H](N2C[C@H]3[C@@H](C2)OCCN3C(=O)COC)C1=O 1082969234 JXSROZIFMWEDJH-HZSPNIEDSA-N 323.393 -0.669 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN([C@H](CC)C(N)=O)C[C@@H]2O)cc1 1083691409 NWFRHTZYMBTJSW-KFWWJZLASA-N 315.373 -0.293 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)Cn2ccc(C)cc2=O)C1 1083825233 JSSKBHHVGREYTE-KGLIPLIRSA-N 305.378 -0.106 30 20 DBED C[C@@H]1CC[C@@H](NC(=O)CC(N)=O)CN1c1nccnc1C#N 1089128192 VIVHIWDNDVBTPA-NXEZZACHSA-N 302.338 -0.303 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@H]1O 1090407780 CKUFPXFWSHMKCT-XNRPHZJLSA-N 316.361 -0.054 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(c2ncc(F)cn2)C[C@H]1O 1090489251 ZBLBOBMDFQABKS-YUSALJHKSA-N 308.313 -0.680 30 20 DBED C#CCOc1ncccc1C(=O)N[C@H]1CCN(CC#N)C[C@@H]1O 1090735966 GCUPCTJZEZOVKZ-KBPBESRZSA-N 314.345 -0.218 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1OC 1090869625 WESONBWTFARQTG-VXGBXAGGSA-N 317.349 -0.129 30 20 DBED CO[C@H](C)C(=O)N[C@@H]1CN(c2nc(C)ccc2C#N)C[C@@H]1O 1091067654 MCFIHDXMCLXIFL-RTXFEEFZSA-N 304.350 -0.038 30 20 DBED CN(C)CCC(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@@H]1O 1091178014 LVWXOSFAXOVEES-OLZOCXBDSA-N 303.366 -0.429 30 20 DBED N#Cc1cnc(N2CC[C@@H](NC(=O)CC(N)=O)[C@H](O)C2)c(F)c1 1092132990 AESDWZKURNJUOQ-GHMZBOCLSA-N 321.312 -0.976 30 20 DBED N#Cc1nccnc1N1C[C@H]2[C@H](NC(=O)CCn3cncn3)[C@H]2C1 1093212845 LFUJQDCKANKXLH-YABSGUDNSA-N 324.348 -0.419 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@H]2CN(c3ccnc(C)n3)C[C@H]12 1093266549 PIJGTWNMSPEJDI-RYUDHWBXSA-N 313.361 -0.525 30 20 DBED C#CCCN1CC(OC2CCN(C(=O)Cn3cnnn3)CC2)C1 1093505127 DOOHSVOZBWEHAQ-UHFFFAOYSA-N 318.381 -0.612 30 20 DBED C[C@@H]1CCN(C(=O)C(=O)NCCNc2cnc(C#N)cn2)C1 1093870471 YZJZGDRIGRIELP-SNVBAGLBSA-N 302.338 -0.255 30 20 DBED CCN1CCOC[C@@H]1C(=O)NCCNc1nccnc1C#N 1093977474 LHUWQMWGVILWTA-GFCCVEGCSA-N 304.354 -0.403 30 20 DBED N#Cc1cnc(NCCNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)c(F)c1 1094136700 YWPWKVZKSZGWPY-WDEREUQCSA-N 321.312 -0.347 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC(=O)N(C2CN(CC)C2)C1 1094788382 RSLIPERRXOWVTN-BNOWGMLFSA-N 307.394 -0.001 30 20 DBED N#CCN1CC(N2C[C@@H](NC(=O)Cc3ccco3)CC2=O)C1 1094799782 PZNLHOWRTQXRCS-NSHDSACASA-N 302.334 -0.253 30 20 DBED CC(=O)N[C@H](C)C(=O)N1CCCN(c2nccnc2C#N)CC1 1095161259 JAZIEBGZJXJNKR-LLVKDONJSA-N 316.365 -0.088 30 20 DBED C=CCCn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC(N)=O)nn1 1096131395 QCBVXXNHQPCAAT-MDZLAQPJSA-N 318.381 -0.325 30 20 DBED CC(=O)N1CC(C(=O)NC[C@H](C)Nc2cnc(C#N)cn2)C1 1097779498 KYBZYSNYHVESJN-VIFPVBQESA-N 302.338 -0.257 30 20 DBED CNC(=O)C1(C(=O)NC[C@H](C)Nc2ccc(C#N)nn2)CC1 1097938185 CPWYZDIAUFOSJM-VIFPVBQESA-N 302.338 -0.209 30 20 DBED CC(=O)NC(C)(C)C(=O)NC[C@H](C)N=c1cc[nH]c(C#N)n1 1097947160 NRTVHRCZHDYQEW-VIFPVBQESA-N 304.354 -0.399 30 20 DBED C[C@H](CNC(=O)C[C@@H]1CCN(C)C1=O)N=c1cc[nH]c(C#N)n1 1098117368 KIQQZGSHMRUWEB-MNOVXSKESA-N 316.365 -0.445 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)C2CCOCC2)[C@H](O)C1 1099609518 AYMOBDCGGLIMEL-HUUCEWRRSA-N 310.394 -0.386 30 20 DBED N#CCNC(=O)CN1CC[C@H](NC(=O)C2CCCCC2)[C@@H](O)C1 1099639181 HVWVODBEODVLGM-KBPBESRZSA-N 322.409 -0.242 30 20 DBED C[C@H](CCNC(=O)[C@@H]1CCC(=O)N1C)N=c1cc[nH]c(C#N)n1 1099644174 QEPNNMRUOSTENZ-MNOVXSKESA-N 316.365 -0.302 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)c2ccoc2)[C@H](O)C1 1099669087 MOZKKYDXYJCRLZ-QWHCGFSZSA-N 307.350 -0.253 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(Cc2nccn2C)C[C@@H]1O 1099741159 OQEJQGVCSXKTDC-OLZOCXBDSA-N 308.382 -0.326 30 20 DBED Cc1c(CCC(=O)N[C@H]2CCN(CC#N)C[C@@H]2O)cnn1C 1099853742 VIDREMWSMIWLMF-KBPBESRZSA-N 305.382 -0.264 30 20 DBED C#CCCN1CC[C@H](NC(=O)CCc2nc(C)no2)[C@@H](O)C1 1099942862 YAVDZJBIHSIEBK-STQMWFEESA-N 306.366 -0.115 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)c2cocc2C)[C@@H](O)C1 1099950367 ZVANKFGUBNKUCX-KBPBESRZSA-N 319.361 -0.498 30 20 DBED CCOCC1(C(=O)NCC2CC(NCC(=O)NCC#N)C2)CC1 1100460073 OBWXLARAKZWUTB-UHFFFAOYSA-N 322.409 -0.073 30 20 DBED N#Cc1ccc(N2CC[C@@H](CNC(=O)C3(C(N)=O)CC3)C2)nn1 1101048266 DWDFGWOIPBVKPU-JTQLQIEISA-N 314.349 -0.444 30 20 DBED CCC[C@@H](C(=O)NC[C@@H]1CN(CC#N)C[C@H]1C)S(N)(=O)=O 1102187596 CUNUZCKDFPHBTH-UTUOFQBUSA-N 316.427 -0.349 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1CCNC(=O)c1cnc(O)n(C)c1=O 1103303409 KWEWTNUPHMXKEE-GHMZBOCLSA-N 319.365 -0.303 30 20 DBED C[C@H](CNC(=O)CN1CCOCC1)CNc1cncc(C#N)n1 1103915467 SJOLCYQBAFRGAI-LBPRGKRZSA-N 318.381 -0.155 30 20 DBED C[C@@H](CNC(=O)[C@H]1CNC(=O)N1)CNc1ncc(C#N)cc1F 1104183240 CQFYMUPKQNUNCV-LDYMZIIASA-N 320.328 -0.062 30 20 DBED C#CCNCC[C@@H]1CN(C(=O)CN2CCOCC2=O)C[C@H]1C 1104295797 QPOCTDIZJPGNDX-ZIAGYGMSSA-N 307.394 -0.447 30 20 DBED C=CCOCC(=O)N1CC(n2cc(CNC[C@H](C)OC)nn2)C1 1105192516 RMKVXFPOBPTUMW-LBPRGKRZSA-N 323.397 -0.012 30 20 DBED CC(C)[C@H](CNC(=O)[C@H]1CNC(=O)N1)Nc1cnc(C#N)cn1 1105278097 UUDINBAKJINOEA-WDEREUQCSA-N 317.353 -0.418 30 20 DBED C=C[C@](C)(O)CC(=O)N(C)CCN(C)c1nccn2nnnc12 1105379951 SPOPXMZCGKILII-AWEZNQCLSA-N 319.369 -0.259 30 20 DBED CN(CCN(C)c1ccncc1C#N)C(=O)[C@@H]1COC(=O)N1 1105393505 ZDEYOQWHHGWAFV-NSHDSACASA-N 303.322 -0.044 30 20 DBED CN(CCN(C)c1ncc(C#N)cc1F)C(=O)[C@@H]1CNC(=O)N1 1105542368 KFVHMEORDOMYGQ-NSHDSACASA-N 320.328 -0.332 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](O)CNC(=O)c2cnn(C)c2)n1 1105716565 WDBNHXOSBJFTQN-LBPRGKRZSA-N 315.337 -0.407 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](O)CNC(=O)[C@H]2CCCOC2)n1 1105743210 YIXBTKQJBTYDMP-AAEUAGOBSA-N 319.365 -0.028 30 20 DBED Cc1cc(C(=O)NC[C@@H](O)CNc2nccnc2C#N)ncn1 1105788002 DBVFXCFQDNJGCJ-JTQLQIEISA-N 313.321 -0.351 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)CNS(=O)(=O)CC)C[C@H]1C 1106203785 WRSGVZCVRVURDL-CHWSQXEVSA-N 315.439 -0.367 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNc1cncc(C#N)n1 1106285274 OGDRENLJDQDWTL-NSHDSACASA-N 314.349 -0.206 30 20 DBED CN(C)[C@@H](C(=O)NCc1cn(C2CN(CC#N)C2)nn1)C1CC1 1107179615 NUHQININHYOBPF-CQSZACIVSA-N 317.397 -0.385 30 20 DBED CN1C[C@@H](C(=O)NC/C=C\CNc2ccc(C#N)nn2)CC1=O 1107568329 FRDIYTFAAYRNRA-QUCGXOGASA-N 314.349 -0.089 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)c2cn3c(n2)COCC3)C1 1108027384 UFUGSCNCXADARU-INIZCTEOSA-N 318.377 -0.133 30 20 DBED C[C@@H](CNc1ccc(C#N)nn1)NC(=O)[C@H]1COCCN1C 1108319896 LNBCSTYNVHDJJX-CMPLNLGQSA-N 304.354 -0.405 30 20 DBED C[C@@H](CN(C)c1ccnc(C#N)n1)NC(=O)CCNC(N)=O 1108961838 OFYBSRVHXWAEMT-VIFPVBQESA-N 305.342 -0.652 30 20 DBED C[C@H](CN(C)c1ccncc1C#N)NC(=O)[C@@H]1CN(C)C(=O)N1 1109194787 WFLKMXGLLWDQID-PWSUYJOCSA-N 316.365 -0.082 30 20 DBED C[C@@H](CN(C)c1ccc(C#N)nn1)NC(=O)[C@H](C)CC(N)=O 1109205308 KMTXYTBZDDPBHX-ZJUUUORDSA-N 304.354 -0.199 30 20 DBED COC[C@@H](OC)C(=O)N[C@H](C)CN(C)c1nccnc1C#N 1109218997 CXYILCRTYVOQPJ-ZYHUDNBSSA-N 307.354 -0.049 30 20 DBED CN(CCCN=c1cc[nH]c(C#N)n1)C(=O)[C@@]1(C)CNC(=O)C1 1109567593 RCRPEZWZOBCYPB-OAHLLOKOSA-N 316.365 -0.443 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H](C)NS(=O)(=O)CC 1110583978 UBCPGWQURSYEJR-LOWDOPEQSA-N 313.423 -0.331 30 20 DBED N#Cc1c[nH]ccc1=NCCN(CCO)C(=O)Cc1cnoc1 1111542810 PKBYFALRZJMQLC-UHFFFAOYSA-N 315.333 -0.161 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)c2cc(C)n(C)n2)CC1 1112653982 GDXHDMBBRMGYGP-CYBMUJFWSA-N 317.393 -0.376 30 20 DBED C[C@H](C#N)C(=O)N1CCN(CC(=O)NC[C@H]2CCOC2)CC1 1112711170 SNOBRSCYIMLFDG-CHWSQXEVSA-N 308.382 -0.557 30 20 DBED C[C@H](CNC(=O)[C@H]1CCCNC1=O)N(C)c1cnc(C#N)cn1 1113744922 RWYOTGNGKRVQNO-PWSUYJOCSA-N 316.365 -0.185 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3cc(C)no3)[C@H]2C1 1113852772 QXNONHHRFOWSBX-YABSGUDNSA-N 302.334 -0.608 30 20 DBED N#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)C[C@@H]3CCCO3)[C@H]2C1 1113926230 XLAKDPCHBNRWQW-UUIJZJDISA-N 306.366 -0.758 30 20 DBED C=CCCC(=O)N[C@H]1[C@@H]2CN(CCNS(C)(=O)=O)C[C@@H]21 1114026112 WHCCKUXWZQTBGL-PJXYFTJBSA-N 301.412 -0.452 30 20 DBED C=CCOCC(=O)N[C@H]1[C@@H]2CN(CCN3CCCC3=O)C[C@@H]21 1114034214 GFIQWCIZHXOBPH-VIKVFOODSA-N 307.394 -0.142 30 20 DBED CC[C@H](C)OCC(=O)NC1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]12 1114152855 FOQCKRICNMFOKM-QJPTWQEYSA-N 308.382 -0.512 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)[C@H](C(C)C)N(C)C)[C@@H]2C1 1114439001 INEBREYXSGNORW-IOASZLSFSA-N 320.437 -0.632 30 20 DBED CNC(=O)CC(=O)NCC1[C@@H]2CN(c3ccc(C#N)nn3)C[C@@H]12 1114530303 IWPUMFGJEYDEJF-RYUDHWBXSA-N 314.349 -0.717 30 20 DBED COCC#CCN1C[C@@H]2C(NC(=O)c3c[nH]c(=O)cn3)[C@H]2C1 1114739834 WIKIQMRFCGPHJL-QWRGUYRKSA-N 302.334 -0.920 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC)C[C@@H]21 1114859270 OOZMUICUOZUMSO-BIGJJFBESA-N 307.394 -0.240 30 20 DBED C[C@@H](CCCN=c1cc[nH]c(C#N)n1)NC(=O)c1cn(C)nn1 1114920097 HPUCPFCWQGHXQY-JTQLQIEISA-N 314.353 -0.091 30 20 DBED COCC#CCN1C[C@@H]2C(NC(=O)[C@@H]3CCCN3C(C)=O)[C@H]2C1 1115141540 BEBISXGKBGCPBD-KKUMJFAQSA-N 319.405 -0.307 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)c3[nH]cnc3CC)[C@@H]2C1 1115186585 XKGVVDORHQQVEV-GHMZBOCLSA-N 317.393 -0.066 30 20 DBED C=C[C@@H](COC)NC(=O)CNS(=O)(=O)c1ccccc1N 1118755302 TYXXBBDPOFILHC-JTQLQIEISA-N 313.379 -0.136 30 20 DBED C[C@@H](CN(C)C(=O)C(=O)NCC1CC1)N=c1cc[nH]c(C#N)n1 1119984612 ATTHFVWKERVORI-JTQLQIEISA-N 316.365 -0.445 30 20 DBED CC(=O)N(C)CC(=O)NC[C@@H](CO)Nc1ncccc1C#N 1121086541 WZRJOKCBCVCNKO-LBPRGKRZSA-N 305.338 -0.679 30 20 DBED CCc1cc(C(=O)NC[C@@H](CO)N=c2cc[nH]c(C#N)n2)n[nH]1 1121137098 TYKKXIZDUPCBFG-JTQLQIEISA-N 315.337 -0.742 30 20 DBED Cc1cc(C(=O)NC[C@@H](CO)N=c2cc[nH]cc2C#N)cnn1 1121359090 CLNURWLLQDTMDI-ZDUSSCGKSA-N 312.333 -0.324 30 20 DBED CC(C)(C(N)=O)C(=O)NC[C@@H](CO)Nc1ncc(C#N)cc1F 1122198818 WZUARBSRQGULRU-VIFPVBQESA-N 323.328 -0.507 30 20 DBED N#Cc1cnc(N[C@H](CO)CNC(=O)Cc2cnc[nH]2)cn1 1122622056 NFDRBWAGDCVIJS-NSHDSACASA-N 301.310 -0.797 30 20 DBED CC(=O)NCC(=O)N1CC[C@@H](Nc2nccnc2C#N)[C@H]1C 1122904348 RXENPRAETPDQCW-MWLCHTKSSA-N 302.338 -0.114 30 20 DBED CN(C[C@@H](O)CNc1ccc(C#N)cn1)C(=O)Cn1nccn1 1124571778 CBTAVBFXEPKUKE-LBPRGKRZSA-N 315.337 -0.524 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)c1csnn1 1124627153 BNZQHERMUPSTRM-MRVPVSSYSA-N 319.350 -0.833 30 20 DBED N#Cc1nccc(N2CC=C(CNC(=O)Cc3nc[nH]n3)CC2)n1 1127690374 NMQFUZVQAOQRLQ-UHFFFAOYSA-N 324.348 -0.038 30 20 DBED COCCN[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1n1ccnn1 1129816896 MSUFYMPEMFSGGJ-KGLIPLIRSA-N 303.366 -0.321 30 20 DBED CC[C@H](NC(C)=O)C(=O)N1C[C@H](n2ccnn2)[C@H](NCC#N)C1 1130020475 IMAVCOVWNHPTHR-XQQFMLRXSA-N 319.369 -0.942 30 20 DBED COCC#CCNCCNC(=O)CS(=O)(=O)CC(C)C 1130337141 JFAWBVYLTAPLAM-UHFFFAOYSA-N 304.412 -0.587 30 20 DBED C#CCN1CC[C@@H](c2n[nH]cc2CNC(=O)CC(=O)NCC)C1 1130383801 NCSUFNJDNYVCPC-GFCCVEGCSA-N 317.393 -0.025 30 20 DBED CCCOCC(=O)NCc1nc([C@H]2COCCN2CC#N)n[nH]1 1130835444 MTSOMOFIYBSIHZ-LLVKDONJSA-N 322.369 -0.256 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](NCCO)[C@H](c2cncn2C)C1 1130991561 RCFGKSQZMVFYDG-ZIAGYGMSSA-N 304.394 -0.044 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)Cn2cccn2)CC[C@@H]1C 1131788871 YVYAIYJVXVQYQB-KBPBESRZSA-N 317.393 -0.398 30 20 DBED C[C@@H]1CC[C@H](NC(=O)c2cncnc2)CN1CC(=O)NCC#N 1131973112 YFLBMYQXDZARPD-YPMHNXCESA-N 316.365 -0.301 30 20 DBED Cc1cc(C)n(CCC(=O)NCCNCC(=O)NCC#N)n1 1132070629 CWGXQVHHCSUUPA-UHFFFAOYSA-N 306.370 -0.764 30 20 DBED C[C@H]1CC[C@H](NC(=O)CCNS(C)(=O)=O)CN1CC#N 1132078250 KTAGBEHVPUHGCF-QWRGUYRKSA-N 302.400 -0.582 30 20 DBED C#CCNC(=O)CN1C[C@H](NC(=O)c2cnon2)CC[C@H]1C 1132369526 YLQQKDSHTGHLFA-GHMZBOCLSA-N 305.338 -0.598 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@@H]1Cc2ccc(F)cc21 1132915956 HECRVRYPMRYEKU-CQSZACIVSA-N 303.337 -0.079 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)c1cncnc1 1134153101 VMLDFPPVEBXDFV-VXGBXAGGSA-N 303.366 -0.288 30 20 DBED C[C@@H]1CCCC[C@@H]1OCC(=O)NCCNCC(=O)NCC#N 1134631279 UCKDYIFCOLFWMA-OLZOCXBDSA-N 310.398 -0.073 30 20 DBED COc1c(O)nc(O)nc1C(=O)N[C@@H](C)C[C@H](C)NCC#N 1135919536 FFADGHRJVDJIRU-YUMQZZPRSA-N 309.326 -0.094 30 20 DBED CC(C)[C@H]1C[C@@H](C(=O)NCCNCC(=O)NCC#N)CCO1 1146768573 DNMDEDBHVXSAMV-QWHCGFSZSA-N 310.398 -0.217 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@]1(C)CCN(C(C)=O)C1 1146993753 FNBWOIXEOIXISB-MLGOLLRUSA-N 322.409 -0.911 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC2(CCN([C@H]3CCNC3=O)C2)C1 1147445789 JBASGXMQXYSYPW-WFASDCNBSA-N 307.394 -0.264 30 20 DBED COCC#CCN1CCC2(C1)CN(C(=O)[C@H]1CC[C@H]1C(N)=O)C2 1148046258 XBKCTYNMIAYHAJ-KGLIPLIRSA-N 319.405 -0.318 30 20 DBED C=CCNC(=O)CNCCNC(=O)CCCC(=O)NC(C)C 1148249796 MUBHWPPXSFUVBP-UHFFFAOYSA-N 312.414 -0.311 30 20 DBED CCN(CC(=O)NC(=O)NC1CC1)[C@H](C)CNC(=O)[C@@H](C)C#N 1152449761 JMEOMJJDHRGMDK-WDEREUQCSA-N 323.397 -0.039 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)c1cn(C)cn1 1152743176 LYDGAPOXLREUSF-GFCCVEGCSA-N 305.382 -0.390 30 20 DBED C=CCOCCN1CC=C(CCNC(=O)CNC(N)=O)CC1 1159211102 WTMGPUZWTZQHHF-UHFFFAOYSA-N 310.398 -0.004 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)CCc1cnc[nH]1 1159540670 VLMOLQXYNFWWER-GFCCVEGCSA-N 305.382 -0.424 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)Cc1cnc(C)o1 1159814515 VACVLYIKYXXFQT-NSHDSACASA-N 306.366 -0.241 30 20 DBED C=CCN1CC=C(CCNC(=O)c2cn(CC(N)=O)nn2)CC1 1161938600 RMZFVQOLLRESBF-UHFFFAOYSA-N 318.381 -0.299 30 20 DBED COCC#CCNCCCNC(=O)c1cc(=O)c(OC)c[nH]1 1162595720 PSUIRKSSBQNRHR-UHFFFAOYSA-N 307.350 -0.257 30 20 DBED C[C@@H](C#N)C(=O)NCCC1(CN[C@@H](C)C(=O)NC(N)=O)CC1 1163841368 OAEYBMRAKLAUFZ-UWVGGRQHSA-N 309.370 -0.394 30 20 DBED C=CCNC(=O)CNCCCNC(=O)COc1cnn(C)c1 1164675121 AMOLODXGMKACRZ-UHFFFAOYSA-N 309.370 -0.803 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)CN1CC[C@@H](C)C1 1166677776 MWFXIAKJIGLPBM-KGLIPLIRSA-N 308.426 -0.438 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@@H](C)OCCOC 1167546776 NETCCJWLNYEMTL-GFCCVEGCSA-N 301.387 -0.564 30 20 DBED C=CCCNCCCNC(=O)Cn1[nH]cc2c(=O)ncnc1-2 1168653237 OFVWHCLYERNEGI-UHFFFAOYSA-N 304.354 -0.257 30 20 DBED C=CCCCN1CCO[C@@H]2CCN(C(=O)Cn3ncnn3)C[C@H]21 1177004807 CEYJJJLEOHRJLB-ZIAGYGMSSA-N 320.397 -0.059 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@H](NCc2nc(=O)n(C)[nH]2)[C@@H]1C 1178678792 RTDXRNSFLAOYIM-SRVKXCTJSA-N 321.381 -0.774 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CCC(=O)NC2)[C@H]1C 1179040689 GSBJMLVOSLRNDU-XQQFMLRXSA-N 322.409 -0.606 30 20 DBED C=CCn1cccc1C(=O)N1CC[C@@H](NCC(=O)NC(N)=O)C1 1183277093 DSZANWRJLCOYQU-LLVKDONJSA-N 319.365 -0.327 30 20 DBED C#CCCN[C@@H]1CCN(C(=O)Cn2nc3ccccn3c2=O)C1 1184754878 BXRRQZWYXULTFW-CYBMUJFWSA-N 313.361 -0.290 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2cnns2)C1 1189059307 NZVBVYKIOABAFG-SNVBAGLBSA-N 309.395 -0.013 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2ncoc2C)C1 1189152370 XOUDINUHHUUTPO-GFCCVEGCSA-N 304.350 -0.121 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@H]1CCN(C(=O)Cc2ccon2)C1 1189489288 IBPXNJBSFBKRDG-OCCSQVGLSA-N 318.377 -0.112 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2ccnc(O)c2)C1 1189621479 OKCITPYRBOPBNM-CYBMUJFWSA-N 316.361 -0.317 30 20 DBED CNC(=O)NC(=O)CN(C)[C@@H]1CCN(C(=O)C#CC2CC2)C1 1190035714 GFWCAQLIBSSVIM-GFCCVEGCSA-N 306.366 -0.612 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)/C=C(\C)C2CC2)C1 1191409914 QQBCTEYSPPBESV-VAZNYKRKSA-N 305.378 -0.747 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(Cc2nccnc2C)C[C@H]1O 1192529911 INESKJJZEWVLLC-IIAWOOMASA-N 320.393 -0.227 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2ccc(F)cn2)C[C@H]1O 1192886668 VBLJTZQCZRQJAG-HUUCEWRRSA-N 321.352 -0.078 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)[C@H](C)NC(=O)COC)C1 1193156142 CBTOWCFGJIXLPB-HBNTYKKESA-N 319.789 -0.949 30 20 DBED C=C(C)CCN(C)[C@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 1194255076 GHECFKWXMZGAJR-LBPRGKRZSA-N 320.397 -0.124 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)N1CC[C@H](N(C)CCO)C1 1194266104 KYBZKQVOUBEHLX-LBPRGKRZSA-N 312.414 -0.225 30 20 DBED C#CCNC(=O)CC(=O)N1CCCN(Cc2csnn2)CC1 1195535973 RCTGQNOMXZSGKD-UHFFFAOYSA-N 321.406 -0.288 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)CCCS(C)(=O)=O)C1 1196877269 XTJAZPZXQZIXQO-VXGBXAGGSA-N 304.412 -0.451 30 20 DBED C[C@H]1OCC[C@H]1C(=O)N1CCCN(CC(=O)NCC#N)CC1 1197554507 JBGBCRKBWYPNKT-CHWSQXEVSA-N 308.382 -0.415 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)[C@H]2CC[C@H]2C(N)=O)CC1 1201960200 VYDWGLACSMZHKH-OLZOCXBDSA-N 322.409 -0.619 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)[C@@H]2CC[C@@H]2C(N)=O)CC1 1201960201 VYDWGLACSMZHKH-QWHCGFSZSA-N 322.409 -0.619 30 20 DBED CSCC(=O)N1C[C@H]2CC[C@H]1[C@@H](NCC(=O)NCC#N)C2 1203925798 LWNZGBSVGYDBQF-SRVKXCTJSA-N 310.423 -0.042 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)[C@H]2CCCOC2)CC1 1204741966 LKMPIBYQKJMTCA-HNNXBMFYSA-N 321.421 -0.009 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)c2cc[nH]n2)[C@H](C)C1 1206083669 VAPBSXZZUJFKGC-NTZNESFSSA-N 303.366 -0.402 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)CCc2cnc[nH]2)[C@H](C)C1 1207453442 IYVUSXZZOOCEGU-TZMCWYRMSA-N 317.393 -0.472 30 20 DBED C=CCOCCN1C[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)[C@H](C)C1 1207578723 KFCCXENQRGKPEK-GRYCIOLGSA-N 324.381 -0.776 30 20 DBED C#CCN[C@@H]1CCCN(C(=O)[C@@H](NS(C)(=O)=O)C(C)C)C1 1210019119 VKJHYVUBMAEOQA-OLZOCXBDSA-N 315.439 -0.226 30 20 DBED C[C@@]1(C(=O)N2CCC[C@@H](NCC(=O)NCC#N)C2)CCOC1 1210315318 NHEWBPZUAJUXGO-IUODEOHRSA-N 308.382 -0.367 30 20 DBED COCC#CCN1C[C@@H](NC(=O)[C@@H]2CCN(C(C)=O)C2)[C@H](C)C1 1210651699 GBIRTMWAJLOXIA-FVQBIDKESA-N 321.421 -0.059 30 20 DBED C#CCN[C@H]1CCCN(C(=O)CCCN2C(=O)CNC2=O)C1 1211015896 XAXMWDZXXHWNQC-LBPRGKRZSA-N 306.366 -0.468 30 20 DBED C#CCCN1C[C@@H](NC(=O)C2(C(=O)NC)CCC2)[C@H](OC)C1 1213764964 MPLNPNVIKPLWSW-CHWSQXEVSA-N 307.394 -0.259 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)[C@]2(C)CCC(=O)N2)C[C@H]1C 1215482174 JJTPDKVLRXFBMM-IOASZLSFSA-N 307.394 -0.259 30 20 DBED C=CCCC(=O)N1CCO[C@@H]2CN([C@H](C)C(=O)NC(N)=O)C[C@@H]21 1217494141 XJHYGFQWPJDBQV-GRYCIOLGSA-N 324.381 -0.552 30 20 DBED COCC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H](C)COC 1217544858 ZPBFXXYNFQRGMH-SOUVJXGZSA-N 310.394 -0.170 30 20 DBED C=CCOCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)Cn1nccn1 1218005024 YFLJNYXLVZIYKB-UONOGXRCSA-N 321.381 -0.608 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)C(=O)NCC(F)(F)F 1218872182 JGFVEVQSSRDXBM-DTWKUNHWSA-N 320.271 -0.900 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2cnc(C)s2)C1 1219310929 KOUICXBDFOETGO-MNOVXSKESA-N 324.406 -0.471 30 20 DBED C=CCCC(=O)N[C@@H]1CN(CC(=O)Nc2ccon2)C[C@@H]1O 1219346503 OLPNJMDBIZNBHB-MNOVXSKESA-N 308.338 -0.259 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CN(CCCN2CCCC2=O)C[C@@H]1O 1219596432 VFKQHEQSBBIJND-CABCVRRESA-N 319.405 -0.426 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)c2cnn(CCF)c2)C1 1219923269 ZNEQQONFXQFMER-KGLIPLIRSA-N 324.356 -0.723 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)COCc2nc(CC)no2)C1 1220732252 OEDOKXSARQLNOA-MNOVXSKESA-N 310.354 -0.504 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)C(C)(C)NC(=O)C(F)(F)F)C1 1221058223 LETJAMNOTCYLEP-BDAKNGLRSA-N 321.299 -0.762 30 20 DBED N#Cc1cc(C(=O)NC2CCN(CC(=O)NC(N)=O)CC2)c[nH]1 1226926246 INEVDJMGHZZQOE-UHFFFAOYSA-N 318.337 -0.725 30 20 DBED COCC#CCN1CCC(NC(=O)c2cn(C)c(=O)cn2)CC1 1228360915 LVTBJCAHYVFORJ-UHFFFAOYSA-N 318.377 -0.376 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)Cc1cnc[nH]1 1228800530 OAZKPJIOWZUNPN-CHWSQXEVSA-N 318.381 -0.391 30 20 DBED C#CCOCCC(=O)O[C@H](C)C(=O)N1CCC(C(N)=O)CC1 1319502804 HJKOKXVLGLXSGW-LLVKDONJSA-N 310.350 -0.318 30 20 DBED C=C(C)COCCNC(=O)C(=O)N1CCC[C@H]1C(=O)NC1CC1 1323655380 CZEDVMFLVVYISX-ZDUSSCGKSA-N 323.393 -0.035 30 20 DBED C#CCCCCNC(=O)C(=O)N(C)CCS(=O)(=O)CC 1324807726 AWBZNZWFDMBFFN-UHFFFAOYSA-N 302.396 -0.201 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(C#N)cn1 1324950668 ABCMYSDLIAMODR-UHFFFAOYSA-N 322.346 -0.391 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CCCC[C@@H]2CCO)nn1 1325986014 DUVWIMDBHUYCFE-CYBMUJFWSA-N 321.381 -0.156 30 20 DBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCc1cn(C)nn1 1326603502 MCCPJTFHCRTJCX-JQWIXIFHSA-N 307.354 -0.471 30 20 DBED CN(CC(C)(C)N)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1327457471 NWCMEZVFROPMNA-QXMHVHEDSA-N 309.370 -0.109 30 20 DBED COC(=O)C1(C#N)CCN(C(=O)C(=O)N2CCC[C@@H](O)C2)CC1 1328788083 UKMFPWLSRYWCIQ-LLVKDONJSA-N 323.349 -0.725 30 20 DBED CC1(C#N)CCN(C(=O)C(=O)NCCN2CCCC2=O)CC1 1328981059 IPWDTJPBCZKLHK-UHFFFAOYSA-N 306.366 -0.123 30 20 DBED C=CCn1cc(CNC(=O)NCCCn2cc(CO)nn2)nn1 1329198570 GNICXQFMVISWQF-UHFFFAOYSA-N 320.357 -0.563 30 20 DBED COCCOC1CN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)C1 1331723254 SBWGDFMSWWFVEX-PFONDFGASA-N 323.349 -0.223 30 20 DBED CC[C@@H](NC(=O)C(=O)Nc1cc(C)c(C#N)cn1)C(=O)NC 1332894436 QSAONFUHLIJRAS-SNVBAGLBSA-N 303.322 -0.159 30 20 DBED N#Cc1cc(Cl)nc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)c1 1336543738 BPYWSFYHHLEZMO-SECBINFHSA-N 305.725 -0.246 30 20 DBED N#CC[C@]1(O)CCN(CCOCCN2CC[C@@](O)(CC#N)C2)C1 1345780989 LADDCVUGJNNZAE-HOTGVXAUSA-N 322.409 -0.296 30 20 DBED CC1(CCNC(=O)C(=O)N2CC[C@](O)(CC#N)C2)OCCO1 1345867445 GBODQPLOMCQSBX-CQSZACIVSA-N 311.338 -0.867 30 20 DBED Cc1onc(CC(=O)NCC2(C(N)=O)CCOCC2)c1C#N 1361639616 OTDMXNJAWNYBLY-UHFFFAOYSA-N 306.322 -0.205 30 20 DBED CN(CCNC(=O)OC(C)(C)C)c1[nH]c(=O)n(C)c(=O)c1C#N 1363161269 YLVNBWKWEVQKCE-UHFFFAOYSA-N 323.353 -0.094 30 20 DBED CCN(C[C@@H](C)C#N)C(=O)CN1CC[C@@H](CS(N)(=O)=O)C1 1363318065 ASJDIAUAPZOIPU-NWDGAFQWSA-N 316.427 -0.395 30 20 DBED CCNS(=O)(=O)CCNC(=O)NCC1(C#N)CCOCC1 1364523333 GHRBDJZDVPPODP-UHFFFAOYSA-N 318.399 -0.455 30 20 DBED CCC(=O)NCC(=O)N(C)[C@H](C)CNC(=O)c1cc(C#N)c[nH]1 1369813986 YPZGBWISHSGFNL-SNVBAGLBSA-N 319.365 -0.011 30 20 DBED C[C@@H](C#N)C(=O)NCCC1CCN(C(=O)CCNC(N)=O)CC1 1375411647 JSKYCKTVYLMSAZ-NSHDSACASA-N 323.397 -0.051 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CN(C)C(=O)CCCn1cccn1 1384227797 WQTJWXBVFULRAG-OLZOCXBDSA-N 321.381 -0.242 30 20 DBED C[C@H](C#N)C(=O)NCCN1CCN(C(=O)[C@@H]2CCCO2)CC1 1385534978 DZEBKGNBGXECJC-OLZOCXBDSA-N 308.382 -0.415 30 20 DBED CCN(C(=O)CNC(=O)OC)[C@@H]1CCN(C(=O)[C@H](C)C#N)C1 1390095630 ORXOELFCSRYDQJ-GHMZBOCLSA-N 310.354 -0.049 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1cnn2ncccc12 1399846223 HPGXMOWRCQMAEN-VHSXEESVSA-N 316.321 -0.904 30 20 DBED C[C@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)[C@@H]1CCC(=O)N1C 1400052265 MRVZPGXRMYLDJR-SKDRFNHKSA-N 317.349 -0.258 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1c(C2CC2)cnn1C 1410158615 XHCNDWYYHRPGFC-GXSJLCMTSA-N 319.365 -0.336 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(N(CCO)C(=O)c2cnn[nH]2)CC1 1414344128 QJMCABSNVDLBKT-JTQLQIEISA-N 320.353 -0.610 30 20 DBED C[C@H](C#N)C(=O)N(C)CCNC(=O)c1ccoc1CC(N)=O 1415597136 JNQKCXJGEKDOPV-SECBINFHSA-N 306.322 -0.345 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1n[nH]c2c1CCCC2 1416777445 GOPRCMRRHODTII-VHSXEESVSA-N 319.365 -0.345 30 20 DBED C=C(Cl)CNC[C@@H](O)CNC(=O)c1c[nH]c(C(N)=O)c1 1420222736 WMHLOZLKMDZBDM-SECBINFHSA-N 300.746 -0.454 30 20 DBED COc1ncc(C(=O)N(C)C[C@@H](O)CNC(=O)[C@H](C)C#N)cn1 1428248883 IZRVLELITBGFCF-KOLCDFICSA-N 321.337 -0.806 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1coc(CC2CC2)n1 1433334011 GFCRCCLCXURTBZ-KOLCDFICSA-N 320.349 -0.006 30 20 DBED Cc1cnc(CNC(=O)CCn2cc(C#N)c(O)nc2=O)o1 1433735816 JUDFTKPQFHYZNJ-UHFFFAOYSA-N 303.278 -0.177 30 20 DBED CCc1noc(COCC(=O)NCCN(C)C(=O)[C@H](C)C#N)n1 1449259444 LXMBIAFNFSWPKB-SNVBAGLBSA-N 323.353 -0.117 30 20 DBED C[C@@H](C(=O)NC(N)=O)N1CCC(C)(CNC(=O)[C@H](C)C#N)CC1 1484133154 BLEMYYKDZNLJFC-MNOVXSKESA-N 323.397 -0.052 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@H]1CCCN(Cc2nc(=O)n(C)[nH]2)C1 1494315812 LCTYLGIMKXPCCT-XHDPSFHLSA-N 323.397 -0.484 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](C)CCNC(=O)c1ccc(C(N)=O)cn1 1495579019 OLYRQADTGJIWJE-VHSXEESVSA-N 317.349 -0.035 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)CCc2nccs2)C1 1512956770 WEMRQZSAFYKTSY-GMTAPVOTSA-N 322.390 -0.077 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)CN2CCCCC2=O)CC1 1535601425 WCOIIJKJXIHVLS-NSHDSACASA-N 306.366 -0.076 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)Cc2c(C)n[nH]c2C)C1 1566680268 ZLLXAPPBSCSVPZ-CYBMUJFWSA-N 317.393 -0.491 30 20 DBED C[C@@H](CNC(=O)[C@@H](C)C#N)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 1573586111 ZRJWDXSVLFZQDN-YUMQZZPRSA-N 316.325 -0.411 30 20 DBED N#Cc1cn(CC(=O)N2CCCN(C(=O)O)CC2)c(=O)nc1O 1574248114 CVXVSPSUPMONBP-UHFFFAOYSA-N 321.293 -0.967 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(CCc2cnn[nH]2)C[C@H]1O 1575110489 RECXUTZSZBPWRP-CHWSQXEVSA-N 309.370 -0.899 30 20 DBED C[C@H]1CS(=O)(=O)CCN1C(=O)C1CC2(CNC[C@H]2C#N)C1 1576860370 ILLSFZHNCKXPTL-WDBLDGLGSA-N 311.407 -0.229 30 20 DBED C#C[C@@H]1COCCN1C(=O)C(=O)NCc1cc(C(=O)O)c(C)o1 1588383978 QYMKAFAVMHJIEP-SNVBAGLBSA-N 320.301 -0.237 30 20 DBED C=C[C@H](CO)NC[C@@H](O)COc1ccccc1-c1nn[nH]n1 1588728226 OZRUSKTVIKPOKL-GHMZBOCLSA-N 305.338 -0.257 30 20 DBED CC(C)C[C@H](NC(=O)CCn1cc(C#N)c(O)nc1=O)C(=O)O 1588899550 PPSUCQUEOVDLHJ-JTQLQIEISA-N 322.321 -0.174 30 20 DBED C[C@H](C#N)CNC(=O)N1CCN([C@@]2(C(=O)O)CCOC2)CC1 1589330836 RRWFNIOUXBDYFV-RISCZKNCSA-N 310.354 -0.283 30 20 DBED C[C@@H](C(=O)N[C@@]1(CC(=O)O)CCCOC1)n1cnc(C#N)n1 1589391705 QZTRDLBEGQNAAO-TVQRCGJNSA-N 307.310 -0.149 30 20 DBED OCC#CCNC[C@@H](O)COc1ccccc1-c1nn[nH]n1 1593521599 MYIQRJMTBCAALC-LLVKDONJSA-N 303.322 -0.808 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)[C@@H]1C[C@@H]1C(=O)O 1605448296 ZGOWQPDZKKGTRQ-ZJUUUORDSA-N 303.322 -0.249 30 20 DBED N#Cc1ccc(NCC(=O)N2C[C@H](O)C[C@@H](C(=O)O)C2)nc1 1610629304 QKAWQEQSUXJWTP-GHMZBOCLSA-N 304.306 -0.341 30 20 DBED COC(=O)C1(C#N)CCN(C(=O)NC[C@@H]2COCCN2)CC1 1646039108 PFTMUFRQOGJGCD-LLVKDONJSA-N 310.354 -0.537 30 20 DBED C#CCNC(=O)CN1CC[C@@H](CCNC(=O)[C@@H](CC)N(C)C)C1 1691892244 AFACGZUQADDHQH-HUUCEWRRSA-N 322.453 -0.096 30 20 DBED C#CCN1CCN(CCCNC(=O)Cc2nnc(C)o2)CC1 1752342750 CPNGVDHSBMNVOP-UHFFFAOYSA-N 305.382 -0.322 30 20 DBED N#CCN1CCN(CCNC(=O)[C@H]2CN3CCC2CC3)CC1 1752366009 OIMKQEUAUVUCEU-HNNXBMFYSA-N 305.426 -0.414 30 20 DBED C#CCNC(=O)CN1CCCC[C@H]1CNC(=O)c1cnccn1 1752814211 PQUVFEDRTPOCDY-ZDUSSCGKSA-N 315.377 -0.190 30 20 DBED CCCc1cc(C(=O)NC[C@@H](C)NCC(=O)NCC#N)n[nH]1 1752896072 WQFPVHRNNLQXIA-SNVBAGLBSA-N 306.370 -0.290 30 20 DBED CC(C)N1CCCC[C@@H]1C(=O)NC[C@H](C)NCC(=O)NCC#N 1752902654 GEUJGBCHYCIMRN-UONOGXRCSA-N 323.441 -0.017 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H](C)CNC(=O)CCc1cnccn1 1752911918 WTWVADXFCIVNJL-CHWSQXEVSA-N 317.393 -0.359 30 20 DBED C#CCCNCCNC(=O)[C@@H]1CCCN(C(=O)c2cn[nH]c2)C1 1752925587 ZHDJXYQGWQKEDE-CYBMUJFWSA-N 317.393 -0.009 30 20 DBED COCC#CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCNC(=O)CC1 1753423408 IYHCXGAOFZMOIC-KKUMJFAQSA-N 319.405 -0.162 30 20 DBED C[C@@H](CNCC(=O)NCC#N)CNC(=O)Cc1cncs1 1753619940 GYAOBVHGNXZHJH-JTQLQIEISA-N 309.395 -0.333 30 20 DBED C#CCCNC[C@H](C)N(C)C(=O)[C@H](CCC)S(N)(=O)=O 1753704939 NRLBJQDYXPZJCP-RYUDHWBXSA-N 303.428 -0.097 30 20 DBED Cc1nc(CC(=O)N[C@@H](C)CNCC(=O)NCC#N)cs1 1754293169 JBNHMZKWVBDWIS-VIFPVBQESA-N 309.395 -0.272 30 20 DBED C=C(Cl)CNCCCN(C)C(=O)Cn1c(O)nnc1O 1754410883 CTEUBLBSXSPGBT-UHFFFAOYSA-N 303.750 -0.120 30 20 DBED C#CCNC(=O)[C@H](C)NC1(CNC(=O)Cc2ncc[nH]2)CC1 1754529972 DWAKHGCNUNJEPK-NSHDSACASA-N 303.366 -0.672 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C1CN(Cc2nc(COC)no2)C1 1754574949 KBUVOFMTMLJWQR-NSHDSACASA-N 322.365 -0.103 30 20 DBED CC#CCN1CC[C@@](O)(CNC(=O)[C@@H](C)CS(C)(=O)=O)C1 1754762855 ZIKAHRWMQMCUNQ-GXTWGEPZSA-N 316.423 -0.757 30 20 DBED C=C1CC(C)(C(=O)NCC2(O)CN(CC(=O)NC3CC3)C2)C1 1754774717 XQVBLLLLVQACHF-UHFFFAOYSA-N 307.394 -0.216 30 20 DBED CC#CCNC1CCN(CCNC(=O)[C@H]2CCC(=O)NC2)CC1 1754849621 ZUCKVDSOKSOCDP-AWEZNQCLSA-N 320.437 -0.294 30 20 DBED C#CCO[C@H](C)C(=O)N1CCN(C2CN(CCOC)C2)CC1 1755145700 XWDBKHCVSQVNTB-CQSZACIVSA-N 309.410 -0.501 30 20 DBED N#CCNCC1(O)CCN(C(=O)[C@@H]2CCc3n[nH]cc3C2)CC1 1755154915 NVFXLJPWVUIIFM-GFCCVEGCSA-N 317.393 -0.019 30 20 DBED C#CCNC(=O)[C@@H](C)NCC1CC(NC(=O)c2n[nH]cc2C)C1 1755210189 VSBBGSUYXZARBP-PNESKVBLSA-N 317.393 -0.046 30 20 DBED C=C(C)CCC(=O)N[C@@H](C)[C@H](C)NCC(=O)N1CCNC(=O)C1 1755237511 QAKUVFCAMJHEDJ-STQMWFEESA-N 324.425 -0.216 30 20 DBED C=CCN1C[C@@H]2C(CNC(=O)CN3CC(=O)N(C)C3=O)[C@H]2C1 1755434616 UTOSIWGXMHIIPF-VXGBXAGGSA-N 306.366 -0.640 30 20 DBED CC(C)c1nnnn1CC(=O)N(C)C[C@H](O)CN(C)CC#N 1755806527 HTLNSBURXPJFBV-LLVKDONJSA-N 309.374 -0.929 30 20 DBED C=C[C@@](C)(O)CC(=O)N(C)[C@H](C)CNC(=O)CCn1ccnn1 1756020293 JCRMEKDGBYIWBL-IUODEOHRSA-N 323.397 -0.042 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@H](CO)CNC(=O)C1=CCOCC1 1756513375 GEOVSQGQXMMYDS-WFASDCNBSA-N 312.366 -0.747 30 20 DBED C#CCCCC(=O)NC[C@H](CO)NC(=O)c1nccnc1N 1756515117 FXYLAKBHRCEKGN-SNVBAGLBSA-N 305.338 -0.931 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H]1CC[C@@H](NC(=O)C(F)F)C1 1756634044 XRDZYPKMYJKMHP-VHSXEESVSA-N 315.320 -0.208 30 20 DBED C=CCOCC(=O)NC[C@@H](O)CN(C)C(=O)c1ccsn1 1756670291 WAIWWBTYTFMQQV-SNVBAGLBSA-N 313.379 -0.105 30 20 DBED CS[C@@H](C)C(=O)N[C@@H]1CN(C(=O)CSCC#N)C[C@H]1O 1756978638 BVHBBINYTBDNFJ-IVZWLZJFSA-N 317.436 -0.317 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(C(=O)CCCN(C)C)C[C@H]1O 1756993989 YKRACEBMBOLOIX-ZIAGYGMSSA-N 309.410 -0.325 30 20 DBED CCCCCCCCC(=O)N[C@@H]1CN(C(=O)C(N)=O)C[C@H]1O 1757033629 JGDPSNYCLDPQLW-VXGBXAGGSA-N 313.398 -0.090 30 20 DBED C[C@H](OC(=O)CN1CCC(=O)NC1=O)C(=O)N(C)CCC#N 1771603387 CPMWOQWJFDWDMF-VIFPVBQESA-N 310.310 -0.768 30 20 DBED CC(C)OCC(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1841129315 IZQXSYSINMJMAV-UHFFFAOYSA-N 308.334 -0.297 30 20 DBED C[C@@H](CN1CCOCC1)Nc1c(C#N)c(=O)n(C)c(=O)n1C 52208495 XTHICRGLFZSINJ-JTQLQIEISA-N 307.354 -0.912 30 20 DBED C[C@@H](NS(C)(=O)=O)C(=O)N(CCC#N)CCCN(C)C 174290139 SPMKATXLYHYRQR-LLVKDONJSA-N 304.416 -0.382 30 20 DBED C#Cc1cccc(NC(=O)CNC(=O)NCC(=O)N(C)C)c1 193458981 SQSXTCGBLKUUQA-UHFFFAOYSA-N 302.334 -0.006 30 20 DBED CCNS(=O)(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 246592954 YYDQVDPKIOEITA-SNVBAGLBSA-N 310.383 -0.287 30 20 DBED Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nn1cn[nH]c1=O 272176611 ZMRMJUZWUGDJMM-UHFFFAOYSA-N 302.294 -0.137 30 20 DBED CCN(CC#N)C(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cnn(C)c1 279379627 SNRJPDIVNPDZPI-QWHCGFSZSA-N 305.338 -0.310 30 20 DBED C=C[C@H](CO)NC(=O)[C@@H](C)NC1=NS(=O)(=O)c2ccccc21 290604095 NITWOFLKHGVVFY-NXEZZACHSA-N 323.374 -0.223 30 20 DBED N#Cc1ncccc1S(=O)(=O)N1CCN([C@H]2CCNC2)CC1 319259465 BDWCFWLIMPGPGP-LBPRGKRZSA-N 321.406 -0.379 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N[C@H](CO)c1cnn(C)c1 330396107 AWWYOXZZLBPFFT-GXSJLCMTSA-N 301.372 -0.478 30 20 DBED COC(=O)c1ccc(S(=O)(=O)N2CCN(CC#N)CC2)cn1 330611395 OTWGFOUPPKTQOV-UHFFFAOYSA-N 324.362 -0.302 30 20 DBED CN(CC1CCOCC1)S(=O)(=O)N1CCO[C@H](C#N)C1 336946294 OEDDLRSCVCEQSK-GFCCVEGCSA-N 303.384 -0.186 30 20 DBED C[C@]1(CO)CCC[C@H]1NS(=O)(=O)N1CCO[C@@H](C#N)C1 337086215 DXRPPJHWVWEHHZ-QJPTWQEYSA-N 303.384 -0.404 30 20 DBED C=CCOCCN(CC)CC(=O)N[C@H]1CCS(=O)(=O)C1 338895070 MWXYGHPKFNDZKP-LBPRGKRZSA-N 304.412 -0.186 30 20 DBED N#CCNC(=O)CNC(=O)CSc1nnnn1C1CCCC1 343526817 ZZRUJGVQIQUELB-UHFFFAOYSA-N 323.382 -0.364 30 20 DBED N#Cc1ccc(C(=O)NC[C@H]2CCC[C@]23NC(=O)NC3=O)[nH]1 343980232 MFUIQMOKRVSLLY-CLAHSXSESA-N 301.306 -0.006 30 20 DBED CC(=O)NC[C@@H]1CN(S(=O)(=O)c2ccc(C#N)o2)CCO1 344562894 WODFJDWWNPIAQB-LLVKDONJSA-N 313.335 -0.323 30 20 DBED C=C[C@H](CO)NC(=O)C(=O)Nc1ccccc1Cn1cncn1 354568507 PHCVLAPWGXKXDD-GFCCVEGCSA-N 315.333 -0.072 30 20 DBED C=CCSCCNC(=O)C(=O)N1CCC[C@H]2C(=O)NC[C@H]21 355294966 YBHHVZHXQMFMNN-GHMZBOCLSA-N 311.407 -0.241 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)c2cnn(CCF)c2)CC1 358288461 DZLAGVGGVVEKOX-UHFFFAOYSA-N 323.372 -0.087 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1CCO[C@H](CC(=O)OC)C1 370164032 VQAMVEVWYFZUDZ-WDEREUQCSA-N 313.354 -0.349 30 20 DBED C[C@@H](O)CN1CCN(S(=O)(=O)N(C)CCC#N)[C@H](C)C1 408422393 QTTGAFMCAYIRFZ-VXGBXAGGSA-N 304.416 -0.536 30 20 DBED CC[C@](COC)(NS(=O)(=O)N(C)C[C@H](C)C#N)C(=O)OC 416515139 KVHPTAGVVWLMAK-ZYHUDNBSSA-N 321.399 -0.120 30 20 DBED CN(C)S(=O)(=O)CCNC(=O)CNc1cccc(C#N)c1 428129892 JAZKVOMFCNYRMS-UHFFFAOYSA-N 310.379 -0.022 30 20 DBED C#CC(C)(C)NC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 490656063 HDRQYHXVYJHVTG-MNOVXSKESA-N 312.391 -0.450 30 20 DBED N#CC1(NC(=O)CN2[C@H]3C[C@H]4[C@H]([C@@H]3O)[C@@H]3C[C@H]4[C@@H](O)[C@@H]32)CCC1 563215816 HJZAVYQKQXMSRZ-BUCGVOICSA-N 317.389 -0.391 30 20 DBED CNC(=O)CCS(=O)(=O)CC(=O)NCc1cccc(C#N)c1 570573747 SIWIRXKRELVPDI-UHFFFAOYSA-N 323.374 -0.275 30 20 DBED C[C@H](CCC#N)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 576827483 TXCPRKNKUUKDSV-GFCCVEGCSA-N 306.366 -0.028 30 20 DBED C=CCc1ccccc1OC[C@@H](O)CN[C@H](CO)C(=O)NC 578749201 VSCMWLJDXRKNTJ-UONOGXRCSA-N 308.378 -0.149 30 20 DBED C[C@H]1CN(C(=O)C(=O)NC2CCN(CC#N)CC2)C[C@@H](C)O1 588123861 MWISQYHFSRWTLL-TXEJJXNPSA-N 308.382 -0.274 30 20 DBED CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)N1CC[C@@](O)(CC#N)C1 592846938 SSWVEYVLQPVFPW-MFKMUULPSA-N 317.411 -0.173 30 20 DBED CN1C(=O)N[C@]2(CCC[C@H]2CN=c2cc[nH]c(C#N)n2)C1=O 594553075 RHTCQDIUVYQPLR-XPTSAGLGSA-N 300.322 -0.097 30 20 DBED CC1(C)C[C@]1(C)NS(=O)(=O)CCCS(=O)(=O)NCC#N 595964343 YZMOZGILIWSBMN-NSHDSACASA-N 323.440 -0.073 30 20 DBED C[C@@]1(CO)C[C@H](O)CN1CC(=O)NCc1ccc(C#N)cc1 602906285 ILBYJPHUOLJSNJ-HOCLYGCPSA-N 303.362 -0.008 30 20 DBED COC(=O)[C@@H](Nc1c(C#N)c(=O)n(C)c(=O)n1C)C(C)(C)C 610661628 SAXQONPWLXXBKT-SECBINFHSA-N 308.338 -0.045 30 20 DBED C=CCNC(=O)CNC(=O)c1ccc(NS(C)(=O)=O)nc1 626379077 PJFODZXKSCYKPF-UHFFFAOYSA-N 312.351 -0.515 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[C@@H](C)C2)c1=O 725777302 FAHKPYHAOCRWJW-GFCCVEGCSA-N 306.366 -0.157 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2cc(C)nn2CC)CC1 728530537 JGKUTAPFDDPJFE-UHFFFAOYSA-N 317.393 -0.281 30 20 DBED C#CCN(C(=O)CCCNC(=O)O)[C@H]1CCS(=O)(=O)C1 736076674 KKGBYPIYHDGWMX-JTQLQIEISA-N 302.352 -0.317 30 20 DBED C[C@@H](O)CNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 768743090 QBSHYKWZIHFCOC-SECBINFHSA-N 311.363 -0.388 30 20 DBED CCOC(=O)CON=C(C(=O)N1CC(C)(OC)C1)c1cc[nH]n1 772496828 HRVALKMLXTYPOV-UHFFFAOYSA-N 324.337 -0.059 30 20 DBED C#C[C@H](NC(=O)NCC(C)(C)NS(C)(=O)=O)[C@@H]1CCCO1 773297302 SPSSLZCYTXDXFR-QWRGUYRKSA-N 317.411 -0.206 30 20 DBED CC(=O)NCC(=O)NCC(=O)OCc1cccc(C#N)c1F 774931606 DCAQWIIMEMZUBM-UHFFFAOYSA-N 307.281 -0.007 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N=c1ccnc2n(C)[nH]cc1-2 807036055 ZQMIAFUIWUWVEB-UHFFFAOYSA-N 317.349 -0.059 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@@H]1CCC[C@H]1C(=O)NC)[C@H]1CCCO1 809240606 ZXLOOAIOSWCTNB-YVECIDJPSA-N 321.377 -0.686 30 20 DBED N#CC1CN(C(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)C1 817546422 HYMJKLAKURRFSN-JTQLQIEISA-N 324.362 -0.866 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)CC(=O)N1CCN(C)CC1 825298477 ROHZYCXGNLZPMO-AWEZNQCLSA-N 306.410 -0.684 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)CCOC(C)C)CC1 831556933 XHHJQWWBRUENFW-UHFFFAOYSA-N 317.411 -0.587 30 20 DBED C[C@H](CNC(=O)C(=O)NCCNc1ncccc1C#N)C(=O)O 848606923 MNKFLQYPJHVAOL-SECBINFHSA-N 319.321 -0.682 30 20 DBED C#CCNC(=O)COC(=O)CC1CCN(S(C)(=O)=O)CC1 848844440 WOTGBRDSQNZNCZ-UHFFFAOYSA-N 316.379 -0.659 30 20 DBED C#CCN(C)CCCNC(=O)NCCc1nnc(S)n1C 854094178 GUFHIKAUIQZOGK-UHFFFAOYSA-N 310.427 -0.099 30 20 DBED C#C[C@@](C)(CC)NC(=O)CN1CCN(S(C)(=O)=O)CC1 854699072 OOVKCUCRWGTZSD-ZDUSSCGKSA-N 301.412 -0.518 30 20 DBED C#CC[C@H](CCOC)NC(=O)N1CC[C@@H](S(N)(=O)=O)C1 859018918 GDMSSROLTDRFJU-GHMZBOCLSA-N 303.384 -0.513 30 20 DBED C#CC[C@H](NC(=O)CCN1C(=O)C(C)=C(C)C1=O)C(=O)OC 909889397 KEGVHSJRUXDGEP-NSHDSACASA-N 306.318 -0.237 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](N(C)C(=O)c2ccc(=O)n(C)n2)C1 939401774 NFMBTVAISRNYDI-MNOVXSKESA-N 317.349 -0.387 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)c1nccnc1N)CCO2 949054271 WDVHVKVHOGRWES-UHFFFAOYSA-N 315.377 -0.001 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)[C@@H]1CC(=O)N(C)C1)CCO2 949104229 CZQPGLTVENJIPQ-CQSZACIVSA-N 319.405 -0.209 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H]2CCN2C(=O)[C@H]2COC(=O)N2)c1 949283521 PMIKHSAROHIGKW-MWLCHTKSSA-N 317.305 -0.675 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2CCN2C(=O)c2nnn(C)n2)cc1 951442165 NSPUVCROPRPTPW-ZDUSSCGKSA-N 324.344 -0.164 30 20 DBED CC#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cc(OC)ncn2)C1 958072643 DHUIATDGBBUALI-WCQYABFASA-N 304.350 -0.469 30 20 DBED CC#CCN1C[C@@H](O)[C@H](CNC(=O)c2cccn3nnnc23)C1 958092357 QNCWREXAHYDYHV-DGCLKSJQSA-N 314.349 -0.830 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cn(C)c(C)cc2=O)C1 958150840 ATTAUUIHWJIJCM-SWLSCSKDSA-N 303.362 -0.651 30 20 DBED C=C(C)CN1C[C@@H](O)[C@@H](CNC(=O)c2ccnc3[nH]nnc23)C1 958249613 VXNAXIMIBNNADO-CMPLNLGQSA-N 316.365 -0.049 30 20 DBED N#CCN1C[C@H](O)[C@H](CNC(=O)c2cnc3n2CCCC3)C1 958345660 QDMLGKBQGZAEPT-YPMHNXCESA-N 303.366 -0.235 30 20 DBED Cn1nnc2cccc(C(=O)NC[C@H]3CN(CC#N)C[C@@H]3O)c21 958764078 YTHHXKXTZIYJGA-GWCFXTLKSA-N 314.349 -0.486 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1CNC(=O)c1nnn(C)n1 959466320 FATHKXNLIOEJIO-PWSUYJOCSA-N 316.365 -0.552 30 20 DBED N#CCN1C[C@H]2[C@H](NC(=O)[C@@H]3CCc4nncn4CC3)[C@H]2C1 961270250 SQCMIEHPYUQBSN-NMKXLXIOSA-N 300.366 -0.199 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)c1ccnc(O)c1 964151908 JHLFOGIUMRFDJD-JQWIXIFHSA-N 318.333 -0.096 30 20 DBED CC[C@@H](OC)C(=O)N1CC(N2CCN(C(=O)[C@H](C)C#N)CC2)C1 967243564 FZXLICGLNKAPPJ-TZMCWYRMSA-N 322.409 -0.074 30 20 DBED C#CCN1CC([C@H](C)NC(=O)[C@@H]2CCc3nnc(O)n3C2)C1 969991454 FOGXFBGXXAXDJJ-WDEREUQCSA-N 303.366 -0.384 30 20 DBED COc1ncccc1C(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1O 970299642 QQOSAQWHIJYGTQ-WCQGTBRESA-N 318.333 -0.449 30 20 DBED C=C(C)CN(C)[C@@H]1CCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)C1 972470898 AVNOWMCBHZIWGS-LLVKDONJSA-N 322.365 -0.484 30 20 DBED Cn1c(O)ncc(C(=O)N[C@H]2CN(CC#N)CC2(C)C)c1=O 974923504 OKHURFOGFIKPRF-JTQLQIEISA-N 305.338 -0.550 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)CCc3cnn[nH]3)[C@@H]2C1 975246503 NHCNRKDLVGSZFW-DMDPSCGWSA-N 316.365 -0.044 30 20 DBED C=CCCn1cc(C(=O)N[C@H]2[C@@H]3CN(C(=O)COC)C[C@@H]32)nn1 976567052 CXUSCYYLCUMJCD-YABSGUDNSA-N 319.365 -0.313 30 20 DBED N#CCN1C[C@@H]2CC[C@H](NC(=O)CN3C(=O)CCC3=O)C[C@H]2C1 980248356 UEUHECZLMQCGQT-AVGNSLFASA-N 318.377 -0.124 30 20 DBED C[C@@H]1C[C@@H](CNCc2nc(=O)n(C)[nH]2)CN1C(=O)C#CC1CC1 980575635 QUKFZFFVEYETGD-YPMHNXCESA-N 317.393 -0.152 30 20 DBED CC[C@@H]1[C@@H](NC(=O)c2nnn(C)n2)CCN1C(=O)[C@H](C)C#N 985288863 WILLCFIHFAOFMT-KXUCPTDWSA-N 305.342 -0.521 30 20 DBED C#CCN[C@H]1C[C@@H](C)N(C(=O)Cn2nc3ccccn3c2=O)C1 989258220 GSHQXKSYFVYLNH-OLZOCXBDSA-N 313.361 -0.292 30 20 DBED C=CCN1CC[C@@]2(NC(=O)C[C@@H]3NC(=O)NC3=O)CCC[C@@H]12 991101140 UCIFXDMLIPLYIM-RWSFTLGLSA-N 306.366 -0.116 30 20 DBED COCC(=O)N1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H](O)C1 991404415 RNPBTJUJJRLJDZ-RYUDHWBXSA-N 306.322 -0.776 30 20 DBED CC(=O)N1CC(N2C[C@H](NC(=O)c3ccc(C#N)[nH]3)CC2=O)C1 995504122 YEPGJQCTRBIGPI-LLVKDONJSA-N 315.333 -0.552 30 20 DBED O=C(Cn1cncn1)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C#CC1CC1 1006449102 ZUSOQVDEYPUENT-MCIONIFRSA-N 313.361 -0.060 30 20 DBED C[C@H](NC(=O)c1nnc(O)nc1O)C1CN(C(=O)[C@H](C)C#N)C1 1006493654 MQBZYROZRFCXOV-RQJHMYQMSA-N 320.309 -0.981 30 20 DBED C#CCN1CCC[C@@H](NC(=O)c2ccc(S(N)(=O)=O)o2)C1 1007777134 UJLLPAZMTRMCQY-SNVBAGLBSA-N 311.363 -0.246 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCN(Cc2nnn(C)n2)C1 1008561557 YWEPNNPSBSZXDB-UPJWGTAASA-N 320.397 -0.118 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1[C@@H]2CN(C(=O)C(N)=O)C[C@H]12 1009109771 OORHNFDZQMOHMZ-KVSVUVNWSA-N 321.377 -0.727 30 20 DBED C=CCn1cc(C(=O)N2CCN(C(=O)c3nc[nH]n3)CC2)nn1 1011154900 QCLJURWIRANBQB-UHFFFAOYSA-N 316.325 -0.820 30 20 DBED CC(=O)N1CCOC[C@@H]1C(=O)N1CCN(C(=O)[C@@H](C)C#N)CC1 1011213758 PAWHDZRUOUULAV-WCQYABFASA-N 322.365 -0.936 30 20 DBED C[C@H]1[C@H](NC(=O)c2c[nH]c(C#N)c2)CCCN1C(=O)C(N)=O 1014884297 NAGJUOUPGFHYRU-GZMMTYOYSA-N 303.322 -0.519 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)C1 1015947001 HJVWDMUOGZVXSR-LLVKDONJSA-N 306.366 -0.469 30 20 DBED CC#CCN1CC[C@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)C1 1015947002 HJVWDMUOGZVXSR-NSHDSACASA-N 306.366 -0.469 30 20 DBED C[C@H](C#N)C(=O)N1CC=C(CNC(=O)[C@@H]2CN(C)C(=O)N2)CC1 1017623622 WTJZSHVGDBJVMV-PWSUYJOCSA-N 319.365 -0.555 30 20 DBED N#CCN[C@H]1C[C@@H](NC(=O)c2cn(C[C@H]3CCOC3)nn2)C1 1022904152 FGMKBSZJMOQCPS-UTUOFQBUSA-N 304.354 -0.311 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@H]3C[C@@H]3C)C[C@H]2O)nn1 1023771322 RBAATOPXLBLHJK-MEWQQHAOSA-N 319.365 -0.578 30 20 DBED C=C1CCC(C(=O)N[C@@H]2CN(C(=O)c3cnn[nH]3)C[C@H]2O)CC1 1025482001 CQZVYRVGYLHCLA-CHWSQXEVSA-N 319.365 -0.147 30 20 DBED C=CCn1cc(C(=O)N2CCC[C@H](N(C)CC(N)=O)C2)nn1 1027607304 VIXJIJDWJQYYDA-NSHDSACASA-N 306.370 -0.514 30 20 DBED COCCn1nc(C(=O)N[C@@H]2[C@H]3C[C@H]2N(CC#N)C3)ccc1=O 1037504322 XVVKHERZWCMBRL-ZKYQVNSYSA-N 317.349 -0.784 30 20 DBED C=CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)c1c[nH]nc1S(N)(=O)=O 1037580484 YKIRWJAVLJXLJV-JEZHCXPESA-N 311.367 -0.954 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2CCN2Cc2nc(O)n[nH]2)nc1 1038931081 KWPMTGVEFOFONB-NSHDSACASA-N 312.333 -0.109 30 20 DBED CC(=O)N1CCOC[C@@H]1C(=O)N1[C@H]2CC[C@H]1CN(CC#N)CC2 1039471503 AUVPMJCOPSEGLN-SOUVJXGZSA-N 320.393 -0.177 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@]1(O)CCN(C(=O)c2cc[nH]n2)C1 1039722209 TUFDHTRFVNVNHL-XHDPSFHLSA-N 320.349 -0.859 30 20 DBED COCC1(C(=O)NC[C@@]2(O)CCN(C(=O)[C@H](C)C#N)C2)CC1 1040299066 YDHJCRUNQBPDGC-ABAIWWIYSA-N 309.366 -0.348 30 20 DBED Cc1cc(C(=O)N2CC[C@@](O)(CNC(=O)[C@H](C)C#N)C2)n(C)n1 1040763443 OSKKUUWBWKSQED-MEBBXXQBSA-N 319.365 -0.419 30 20 DBED Cn1nncc1C(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1O 1041006214 QGENAQWDXUFCIA-DGCLKSJQSA-N 313.321 -0.939 30 20 DBED Cc1c[nH]cc1C(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1O 1041051027 MPQQOWITVBYPHQ-CHWSQXEVSA-N 312.333 -0.036 30 20 DBED Cc1ccc(=O)n(CC(=O)N2CC[C@@]3(CCN(CC#N)C3)C2)n1 1041798502 XVOPDLWRJCGZSI-MRXNPFEDSA-N 315.377 0.000 30 20 DBED O=C(NCC1(O)CN(C(=O)C#CC2CC2)C1)[C@@H]1C[C@H]2CC[C@H]1O2 1042170993 PNSSXGAABVPRBM-MGPQQGTHSA-N 318.373 -0.343 30 20 DBED CC#CCN1CC[C@H]2CCN(C(=O)Cn3c(O)nnc3O)C[C@@H]21 1042331738 QBWCNDGDQSOTAV-RYUDHWBXSA-N 319.365 -0.365 30 20 DBED C[C@@H]1CN(c2ccncc2C#N)C[C@H]1NC(=O)[C@@H]1CNC(=O)N1 1042461678 XCCYYSTUVLDWMT-ADEWGFFLSA-N 314.349 -0.424 30 20 DBED C#CCCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2COCCO2)C1 1042658703 OKSMOINOEPLPQI-ZDUSSCGKSA-N 324.377 -0.715 30 20 DBED C#CCCCCC(=O)N1CC(O)(CNC(=O)c2ccn(C)n2)C1 1043117856 AMRSKAHOIQJQGE-UHFFFAOYSA-N 318.377 -0.083 30 20 DBED C=CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)[C@@H]2CCCO2)C1 1043567409 CMQMIWQYIADERA-RYUDHWBXSA-N 312.366 -0.554 30 20 DBED Cc1ccc(C#N)c(N2C[C@H](O)[C@H](NC(=O)c3cn[nH]c3)C2)n1 1043846103 PVKRYHSLBIIJGA-OLZOCXBDSA-N 312.333 -0.036 30 20 DBED N#Cc1nccc(N2C[C@H](O)[C@H](NC(=O)[C@H]3CCCCO3)C2)n1 1043893876 UKCVEULSTOHWMX-GRYCIOLGSA-N 317.349 -0.417 30 20 DBED Cc1cc(C#N)nc(N2C[C@H](O)[C@H](NC(=O)[C@@H]3CC3(F)F)C2)n1 1043926200 CBTPFCBAKGOOGT-AXFHLTTASA-N 323.303 -0.022 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)[C@H]2C[C@H](C)CO2)C1 1044564454 NXXQIBSFCMKCQT-NWDGAFQWSA-N 312.366 -0.697 30 20 DBED C=C(C)C[C@H](C)C(=O)NCC1(O)CN(C(=O)c2nnn(C)n2)C1 1045064272 OITAVLJZLCSVNJ-JTQLQIEISA-N 322.369 -0.885 30 20 DBED N#CCN1CC[C@@]2(CCCCN(C(=O)Cn3cnnn3)C2)C1 1045912496 FXOJQVVYAFRFOS-AWEZNQCLSA-N 303.370 -0.099 30 20 DBED Cn1cnc(C(=O)N2CCN([C@@H]3CCN(CC#N)C3)CC2)n1 1046025901 NGHLDHDEUWVPNA-GFCCVEGCSA-N 303.370 -0.829 30 20 DBED C=C(C)CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2COCCN2C)C1 1047355678 JWMYDFJKGFNQHR-ZNMIVQPWSA-N 311.426 -0.213 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)/C(C)=C\C)C1 1048651377 RAIDYMXQOPDHAL-ISGXEFFDSA-N 321.377 -0.878 30 20 DBED Cn1nnc2c1C[C@H](C(=O)N1C[C@@H]3CN(CC#N)C[C@@H]3C1)CC2 1049006671 FOJPMNLWJXPZFH-UPJWGTAASA-N 314.393 -0.166 30 20 DBED C=CCOCC(=O)N1CC[C@@H]([C@H](C)NC(=O)C2(C(N)=O)CC2)C1 1050297216 LWCNYELYMUFGID-NWDGAFQWSA-N 323.393 -0.192 30 20 DBED C[C@H](NC(=O)Cn1ncnn1)[C@@H]1CCN(C(=O)C#CC2CC2)C1 1050671881 FTPQQTCOYHRICH-WCQYABFASA-N 316.365 -0.560 30 20 DBED C=C(Cl)CN1CCOC[C@@H]1CNC(=O)[C@H]1CN(C)CCO1 1050859551 SGFAJXCYOUKLKI-QWHCGFSZSA-N 317.817 -0.114 30 20 DBED C#CCN1CCN([C@@H]2CCN(C(=O)C[C@H]3CCNC3=O)C2)CC1 1052036505 NTVUJDTWSJZUNE-HUUCEWRRSA-N 318.421 -0.636 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)Cc1ccnn1C)CCO2 1053236529 HVAIFVHUWRMTQX-UHFFFAOYSA-N 302.378 -0.101 30 20 DBED N#CCN1CC2(CC[C@@H](CNC(=O)C34CCN(CC3)C4)O2)C1 1053690977 QIYSSPSQXRYEIP-ZDUSSCGKSA-N 304.394 -0.045 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)c3coc(C(N)=O)c3)CO2)C1 1053880169 KTEJCZJDEDVBSO-GFCCVEGCSA-N 317.345 -0.025 30 20 DBED C=CCO[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](CNC(=O)C(N)=O)C2 1054526512 BVJDLZGDSIFNCZ-FVCCEPFGSA-N 323.393 -0.051 30 20 DBED Cn1nccc1CC(=O)N1CCN(c2nccnc2C#N)CC1 1055789396 GQPDSLQSJZFVTQ-UHFFFAOYSA-N 311.349 -0.027 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@](CO)(NC(=O)c2cn[nH]c2)C1 1055796797 RLHABJBAWCLYQR-IINYFYTJSA-N 305.338 -0.347 30 20 DBED C=CCCC(=O)N[C@@]1(CO)CCCN(C(=O)CNC(N)=O)C1 1055821319 FYMWAIFGPYREIG-AWEZNQCLSA-N 312.370 -0.909 30 20 DBED CC(C)(C(N)=O)C(=O)N1CCN(c2cnc(C#N)cn2)CC1 1055930982 IXKXFPMNFSTKLU-UHFFFAOYSA-N 302.338 -0.492 30 20 DBED N#CCSCC(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)C(N)=O 1056248772 RLDCFUUUAUOROC-NXEZZACHSA-N 310.379 -0.680 30 20 DBED N#Cc1cncc(N[C@@H]2CCN(C(=O)CN3CCOCC3)C2)n1 1056609332 WQKIXQMLWDGFDE-GFCCVEGCSA-N 316.365 -0.307 30 20 DBED CN(c1ccnc(C#N)n1)[C@@H]1CCN(C(=O)Cn2nccn2)C1 1056972630 MYZIFJSXLAEAJD-LLVKDONJSA-N 312.337 -0.323 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCN(CCO)C(=O)CCC=C 1057173928 KGBDZQRQCWLGIH-HNNXBMFYSA-N 321.421 -0.013 30 20 DBED N#Cc1cccnc1N1CCC(NC(=O)[C@H]2CNC(=O)N2)CC1 1057933906 HQELIXLLLYAXTG-GFCCVEGCSA-N 314.349 -0.280 30 20 DBED N#Cc1cncc(N2CC[C@H](NC(=O)[C@@H]3CCNC(=O)C3)C2)n1 1058336271 RPKPAMKNJDQZKF-MNOVXSKESA-N 314.349 -0.431 30 20 DBED O=C(C#CC1CC1)NCCN(CCO)C(=O)[C@@H]1[C@H]2COC[C@H]21 1058447900 MTXHKUJFUKAOBN-NHAGDIPZSA-N 306.362 -0.771 30 20 DBED CCCN1CCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@H](C)C#N 1058660781 IJNGXOFOUDMGOO-KGLIPLIRSA-N 324.425 -0.042 30 20 DBED N#Cc1ccc(N[C@H]2C[C@H](NC(=O)[C@H]3CNC(=O)N3)C2)nc1 1059392043 QCQGBEXSFKPQTH-GMTAPVOTSA-N 300.322 -0.306 30 20 DBED Cc1cc(=N[C@@H]2CC[C@@H]3CN(C(=O)C(N)=O)C[C@@H]32)c(C#N)c[nH]1 1060553437 PWVPAFVJDJWYOO-KGYLQXTDSA-N 313.361 -0.182 30 20 DBED N#CCSCC(=O)NC[C@H]1COCCN1C(=O)c1ncc[nH]1 1061319381 FMVYWFLVMCRZNQ-JTQLQIEISA-N 323.378 -0.376 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)CCn1ccnc1 1061852673 LEUOUAIGDSXEFP-OLZOCXBDSA-N 319.365 -0.224 30 20 DBED CS(=O)(=O)CC(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(C#N)cn1 1062448382 YTPLRVRDXCVEFG-RYUDHWBXSA-N 320.374 -0.213 30 20 DBED C[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(C#N)n1)n1cncn1 1062477452 MXXMONGXWUAION-SRVKXCTJSA-N 324.348 -0.010 30 20 DBED N#CCSCC(=O)NC1(CNC(=O)[C@H]2CCC(=O)N2)CCC1 1062707119 OLVJOADHJPOION-SNVBAGLBSA-N 324.406 -0.323 30 20 DBED CN(C(=O)c1cnnn1C)[C@H]1CCN(c2nccnc2C#N)C1 1062928872 RHKYTVONVSLYBP-JTQLQIEISA-N 312.337 -0.172 30 20 DBED CN(C(=O)c1nnn(C)n1)[C@@H]1CCN(c2cnc(C#N)cn2)C1 1063012874 JXOZNKSSKGOLEM-SNVBAGLBSA-N 313.325 -0.777 30 20 DBED N#Cc1ccc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)Cn2cncn2)cn1 1064257045 OJHGIQHAUDEHCF-RIEGTJTDSA-N 309.333 -0.062 30 20 DBED C=CCCOCC(=O)NC1(CNC(=O)C2(C(N)=O)CC2)CCC1 1064288232 HROSHRNCEWVDPB-UHFFFAOYSA-N 323.393 0.000 30 20 DBED CCn1cc(C(=O)N[C@@H]2[C@H]3C[C@H]2N(c2cncc(C#N)n2)C3)nn1 1064289120 MQNGXAZINGVKJU-MRCXROJRSA-N 324.348 -0.033 30 20 DBED C=CCCC(=O)N1CCO[C@H](CNC(=O)Cn2cncn2)C1 1064961658 OFRZWJWYDFTOAR-GFCCVEGCSA-N 307.354 -0.412 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)c2ncn(C)n2)CCO1 1065116284 SEPBLNKMZRGDFK-LLVKDONJSA-N 307.354 -0.262 30 20 DBED N#CCSCC(=O)NC[C@@H]1CN(C(=O)c2ncc[nH]2)CCO1 1065119857 HFNQUOQKILSWSZ-SNVBAGLBSA-N 323.378 -0.376 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H](NC(=O)C2(NC(N)=O)CC2)CC1 1066066451 MQIQUSGUQIPBLP-MNOVXSKESA-N 321.381 -0.156 30 20 DBED O=C(C#CC1CC1)N[C@@H]1COC2(C1)CN(C(=O)[C@@H]1CCOC1)C2 1068860640 OTLPINFRBBKWIY-KGLIPLIRSA-N 318.373 -0.078 30 20 DBED COCCC(=O)N1CC2(C[C@H](NC(=O)C#CC3CC3)CO2)C1 1068860910 UUZBHQLUEXQUQA-ZDUSSCGKSA-N 306.362 -0.078 30 20 DBED C=CCOCC(=O)N1CCC[C@@H](NC(=O)[C@H](C)NC(N)=O)C1 1070554135 IDPMPULNANMDPT-WDEREUQCSA-N 312.370 -0.647 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CCCN(C(=O)[C@H](C)NC(N)=O)C1 1070660031 MCZWRRUHUMXTNW-QJPTWQEYSA-N 324.381 -0.811 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)c4ccnn4C)C[C@@]3(C1)O2 1070773222 UTXPSBANDXMKEU-WOSRLPQWSA-N 300.362 -0.031 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)[C@@H]2C[C@@]23CCOC3)CC1 1071014146 AYXJBFVNHHRTSL-WMLDXEAASA-N 319.405 -0.303 30 20 DBED C#CCCN1CC[C@]2(C1)CN(C(=O)Cn1cnnn1)C[C@H](C)O2 1071134694 WHDZTBFXABYXBM-ZFWWWQNUSA-N 318.381 -0.612 30 20 DBED C=CCOCC(=O)N1C[C@@H](NC(=O)c2ncn(C)n2)[C@H](C)C1 1071807875 BYIPNBOJTTXACS-GHMZBOCLSA-N 307.354 -0.406 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)c2ccc[nH]2)C1 1071933234 SVCCKYMVODHMHJ-YPMHNXCESA-N 316.361 -0.269 30 20 DBED C=CCCOCC(=O)N[C@H]1CN(C(=O)Cn2nccn2)C[C@@H]1C 1072184444 WDZCOMHVSCGEDE-STQMWFEESA-N 321.381 -0.166 30 20 DBED CC1(NC(=O)C(N)=O)CCN(C(=O)c2cc(C#N)c[nH]2)CC1 1072931912 IZXUTOLBHOVFAP-UHFFFAOYSA-N 303.322 -0.517 30 20 DBED C#CCCN1CCCO[C@H](CNC(=O)[C@H]2CC(=O)N(C)C2)C1 1073630223 PUILCKQIQGNQKU-UONOGXRCSA-N 307.394 -0.305 30 20 DBED C=CCN1CCCO[C@@H](CNC(=O)[C@H]2CCS(=O)(=O)C2)C1 1073684028 GOUACBLXCKJDIF-STQMWFEESA-N 316.423 -0.186 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)[C@@H]2CCN(C(C)=O)C2)C1 1073871344 HGAYPSBTXKNJAD-CABCVRRESA-N 307.394 -0.305 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)c3c[nH]c(=O)cn3)C[C@H]21 1074323918 HBWHVSXNUQYPIL-CHWSQXEVSA-N 302.334 -0.682 30 20 DBED Cc1nonc1CC(=O)N1CC[C@@H]2OCCN(CC#N)[C@@H]2C1 1074372375 WKRNULOCLOIHBL-OLZOCXBDSA-N 305.338 -0.254 30 20 DBED C=C(C)CCC(=O)N1CCC(O)(CNC(=O)CC(N)=O)CC1 1074608692 AWYMPSYLQWTDCT-UHFFFAOYSA-N 311.382 -0.312 30 20 DBED C[C@H](C#N)C(=O)N1CCC(O)(CNC(=O)c2cocn2)CC1 1074704523 CIJFUYNAYJFALA-SNVBAGLBSA-N 306.322 -0.082 30 20 DBED C#CCOCCC(=O)N[C@@H](C)CCNC(=O)c1cnn(C)c1N 1076239533 JVKQOGDMENWZIC-NSHDSACASA-N 321.381 -0.333 30 20 DBED CC1(C)NC(=O)N(CC(=O)N2CC[C@H]3CN(CC#N)C[C@H]32)C1=O 1076531625 VLKDVKFPFYBPHU-WDEREUQCSA-N 319.365 -0.627 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN(C(C)=O)C2)C1 1077335184 DOXNOAGTXYQTPC-RBSFLKMASA-N 307.394 -0.571 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@H](C)NC(=O)Cn1nccn1 1078535266 IJTIPKPKJGJLEW-XQQFMLRXSA-N 321.381 -0.120 30 20 DBED C#CCN[C@H]1C[C@H]2CC[C@H]1N(C(=O)Cn1ncn(C)c1=O)C2 1078980990 DUFOOKZDLQDOMJ-FRRDWIJNSA-N 303.366 -0.816 30 20 DBED C#CCCCC(=O)N1CC(N(CC)C(=O)[C@@H]2CNC(=O)N2)C1 1080385460 VJNGMYQBLZEXPV-LBPRGKRZSA-N 306.366 -0.469 30 20 DBED CCN(CC)CC(=O)NC1(CO)CCN(C(=O)[C@H](C)C#N)CC1 1080868969 SKWSOGMRWQVLPB-CYBMUJFWSA-N 324.425 -0.042 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCC(CO)(NC(=O)[C@@H](C)C#N)CC1 1080980128 KWZUEMCONCDYQG-WFASDCNBSA-N 323.393 -0.057 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)Cc2cncnc2)C[C@H]1O 1081335341 KFVKLIUNHYGLGT-UONOGXRCSA-N 318.377 -0.079 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)c2cnccn2)C[C@@H]1O 1081441916 NTBULTYQWIUIQJ-OCCSQVGLSA-N 316.361 -0.171 30 20 DBED C=C(C)CCC(=O)NC[C@@H]1CN(C(=O)Cn2cncn2)C[C@@H]1O 1081532767 BDKPAIWOIHNPNQ-OLZOCXBDSA-N 321.381 -0.430 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@@H]2CCn3cncc3C2)[C@H](OC)C1 1081867202 JONLBSYDLIHFEG-BPLDGKMQSA-N 302.378 -0.106 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CCN(C(C)=O)C1 1083261013 ZJEBAOBGNUYFRP-SOUVJXGZSA-N 305.378 -0.600 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2ccc(-c3cn[nH]c3)cn2)C1 1083582597 VWVWLJHXUCZOMB-KGLIPLIRSA-N 312.333 -0.230 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)C[C@@H]2CCS(=O)(=O)C2)C1 1083617576 SHXIKNVKZHHSPJ-TUAOUCFPSA-N 302.396 -0.842 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2nnc3ccccc3c2O)C1 1083824818 PSAHALYFHDMOPH-NEPJUHHUSA-N 313.317 -0.366 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCCS(=O)(=O)C2)C1 1083829190 DTOQPBWXYYXNRZ-TUAOUCFPSA-N 302.396 -0.842 30 20 DBED C#CCCN1CC[C@H]1CN(C)C(=O)C1CC2(C1)NC(=O)NC2=O 1085868728 XZIWTMSNXROFEP-BGMSHATGSA-N 318.377 -0.469 30 20 DBED N#CCN[C@@H]1CCCCCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 1088381719 KUOZFOWEIDGXPP-FRRDWIJNSA-N 308.382 -0.096 30 20 DBED CCN(c1nccnc1C#N)[C@H](C)CNC(=O)Cn1cnnn1 1089585270 QFNMGHUQWFJPNM-SNVBAGLBSA-N 315.341 -0.634 30 20 DBED CC(=O)Nc1nc(C(=O)N[C@H]2CCN(CC#N)C[C@H]2O)cs1 1090380634 FKIJRHWKKXENEF-GXSJLCMTSA-N 323.378 -0.210 30 20 DBED N#CCN1CC[C@H](NC(=O)c2cccc3ncnn23)[C@H](O)C1 1090398675 GYPPCQGVFNLMOM-CMPLNLGQSA-N 300.322 -0.582 30 20 DBED C=C(C)CCN1CC[C@@H](NC(=O)CN2C(=O)CCC2=O)[C@@H](O)C1 1090796540 PPILONZSSAMCJC-OLZOCXBDSA-N 323.393 -0.347 30 20 DBED CN(C)CCC(=O)N[C@H]1CCN(c2cncc(C#N)n2)C[C@@H]1O 1092175243 ZGWDDCSBTCVSFW-STQMWFEESA-N 318.381 -0.644 30 20 DBED C=CCN1CC2(C[C@H](NC(=O)[C@@H]3CNC(=O)N3)c3nccn32)C1 1092391302 SLWWKQFXZVPNNH-QWRGUYRKSA-N 316.365 -0.678 30 20 DBED COC[C@H](OC)C(=O)NC1[C@H]2CN(c3cnc(C#N)cn3)C[C@H]12 1093344154 CPCNUVPSTDRHES-SRVKXCTJSA-N 317.349 -0.440 30 20 DBED N#Cc1cncc(NCCNC(=O)Cc2nc3ncccn3n2)n1 1093639148 VGXZKIQKPBBLRR-UHFFFAOYSA-N 323.320 -0.443 30 20 DBED C[C@H](CN1CCOCC1)C(=O)NCCN=c1cc[nH]c(C#N)n1 1093643679 SYWDAHGTGGJVDY-GFCCVEGCSA-N 318.381 -0.733 30 20 DBED Cc1nn(C)cc1CCC(=O)NCCN=c1cc[nH]c(C#N)n1 1093869218 KPPFLXBIOYNPTN-UHFFFAOYSA-N 313.365 -0.027 30 20 DBED N#Cc1nc(=NCCNC(=O)c2ccnc3[nH]cnc23)cc[nH]1 1093905879 FOLVRFZYIQMOQN-UHFFFAOYSA-N 308.305 -0.117 30 20 DBED Cn1ncc(CCC(=O)NCCNc2ccc(C#N)nn2)n1 1094121873 YXBYXMXOPLVLRT-UHFFFAOYSA-N 300.326 -0.362 30 20 DBED Cc1ccc(C(=O)N[C@H]2CC(=O)N(C3CN(CC#N)C3)C2)cn1 1094706292 YTQDSLYPZVYQHN-ZDUSSCGKSA-N 313.361 -0.072 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)c3coc(CC)n3)CC2=O)C1 1094728707 ZWBSCJOLIRMUHC-LLVKDONJSA-N 316.361 -0.115 30 20 DBED C#CCCN1CC(N2C[C@@H](NC(=O)c3ncc[nH]3)CC2=O)C1 1094733296 GXNZDHILHLKCLZ-NSHDSACASA-N 301.350 -0.552 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)c3cc(CC)on3)CC2=O)C1 1094808072 HABPBHTXFQZQIX-NSHDSACASA-N 316.361 -0.115 30 20 DBED N#Cc1cc(C(=O)N2C[C@H]3C[C@H](NCC(N)=O)C[C@H]2C3)c[nH]1 1094897565 JGKTYCUWLKCECH-XHVZSJERSA-N 301.350 -0.046 30 20 DBED CC(=O)N[C@@H](C)C(=O)N1CC[C@H](N(C)c2nccnc2C#N)C1 1095089863 GQMALPPTGRKIQY-JQWIXIFHSA-N 316.365 -0.090 30 20 DBED CN(CCCNC(=O)CN1CCCC1=O)c1cnc(C#N)cn1 1095486015 AISKTKKQRBBTQF-UHFFFAOYSA-N 316.365 -0.087 30 20 DBED CN(CCCNC(=O)[C@H]1CCC(=O)NC1)c1ccnc(C#N)n1 1095777697 PNKRSHONXSTALI-NSHDSACASA-N 316.365 -0.183 30 20 DBED CNC(=O)NCC(=O)N[C@H]1CCCN(c2cnc(C#N)cn2)C1 1096239756 MSZOHKAFRWCIEH-JTQLQIEISA-N 317.353 -0.638 30 20 DBED CS(=O)(=O)CCC(=O)N[C@H]1C[C@H](Nc2cnc(C#N)cn2)C1 1097113439 UJVLXSNYJORZGO-MGCOHNPYSA-N 323.378 -0.158 30 20 DBED C[C@H](CNC(=O)C[C@H]1CCC(=O)N1)N=c1cc[nH]c(C#N)n1 1097950257 LYPUMDYZOLAOOY-NXEZZACHSA-N 302.338 -0.645 30 20 DBED COc1ccc(C(=O)NC[C@H](C)N=c2cc[nH]c(C#N)n2)nn1 1098029029 UZGBOHSEUVKDMW-VIFPVBQESA-N 313.321 -0.201 30 20 DBED C#CCNCc1cn([C@@H]2CCN(C(=O)COCCOC)C2)nn1 1098634818 XDXCSOBCCOAWQR-CQSZACIVSA-N 321.381 -0.563 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)CCCC(C)=O)[C@H](O)C1 1099673306 WBYHBZPESVPJPU-UONOGXRCSA-N 323.393 -0.954 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)c2cnn(C)c2N)[C@@H](O)C1 1099783839 XNULOACPCQSUPL-OLZOCXBDSA-N 323.397 -0.630 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cnn(CCOCC)c2)[C@H](O)C1 1100050997 QHCLYYMWARYKNE-LSDHHAIUSA-N 320.393 -0.282 30 20 DBED CCN(CCNC(=O)[C@H]1COC(=O)N1)c1nccnc1C#N 1100511455 ZRCKGCIIMCKJPN-SNVBAGLBSA-N 304.310 -0.601 30 20 DBED C=CCOCCN1C[C@@H]2CN(C(=O)Cn3ncnn3)C[C@]2(C)C1 1101240489 AEXZAVNRBHLWEY-HIFRSBDPSA-N 320.397 -0.344 30 20 DBED CN(CCNc1ccc2nnnn2n1)C(=O)c1c[nH]c(C#N)c1 1101550902 HDSLJUIRYPGYJQ-UHFFFAOYSA-N 311.309 -0.097 30 20 DBED COC(=O)NCC(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(C#N)cn1 1102537200 CSBUQWYXKZLYIB-QWRGUYRKSA-N 316.321 -0.506 30 20 DBED N#Cc1nc(=NCC2(NC(=O)CNC(N)=O)CCCC2)cc[nH]1 1103393088 IJQRDOMIGSQZSV-UHFFFAOYSA-N 317.353 -0.721 30 20 DBED C=CCOCC(=O)N1CC(n2cc(CNC[C@@H](C)OC)nn2)C1 1105192515 RMKVXFPOBPTUMW-GFCCVEGCSA-N 323.397 -0.012 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNc1ncnc2c1ncn2C 1105774020 OYRDJNLQPITNPZ-RKDXNWHRSA-N 303.326 -0.588 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H](O)CNC(=O)C[C@H]1COC(=O)C1 1105819636 HRFGLGROTYBATI-PWSUYJOCSA-N 318.333 -0.783 30 20 DBED CCN(CC)CC(=O)NC[C@H](O)CNc1cnc(C#N)cn1 1105869456 SSCLHBXNFKEBFH-GFCCVEGCSA-N 306.370 -0.421 30 20 DBED C#CCOCCC(=O)NC[C@H](O)CNc1cc(C)nc(CO)n1 1105967346 ZRJJLWCWUYEVIO-GFCCVEGCSA-N 322.365 -0.794 30 20 DBED Cn1c(C(=O)NC[C@H](O)CNc2ccc(C#N)cn2)cnc1O 1106052210 VKIDZFJCNCMVFP-SNVBAGLBSA-N 316.321 -0.405 30 20 DBED Cc1cnn(C)c1C(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1 1106057887 IDMVBROBIWLQRA-SNVBAGLBSA-N 315.337 -0.985 30 20 DBED Cc1n[nH]cc1C(=O)NC[C@H](O)CNc1ccc(C#N)nn1 1106062451 ISHZNASMRHJXMB-SNVBAGLBSA-N 301.310 -0.417 30 20 DBED CO[C@@H](CC(C)C)C(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1 1106082546 ZJYYOVNPTGVACG-RYUDHWBXSA-N 321.381 -0.280 30 20 DBED C[C@@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)c1cn(C)nn1 1106317114 QGIYHAJXQTWJSI-VIFPVBQESA-N 300.326 -0.481 30 20 DBED C[C@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)[C@H]1CCN(C)C1=O 1106532180 ZPKCUPZNJHOIGW-GHMZBOCLSA-N 316.365 -0.445 30 20 DBED N#Cc1ccc(NC/C=C\CNC(=O)[C@H]2COCCO2)nn1 1107050135 DEKPSGIUECZTNE-UDSFMNFJSA-N 303.322 -0.152 30 20 DBED C#CCNC(=O)CC(=O)NC/C=C\CNc1cnc(F)cn1 1107130382 MIVWVLJBTWQIIX-ARJAWSKDSA-N 305.313 -0.161 30 20 DBED C=C[C@@](C)(O)CC(=O)NCc1cn(C2CN(C[C@H](C)O)C2)nn1 1107163839 DGMXGZXXQRHLPY-XHDPSFHLSA-N 323.397 -0.541 30 20 DBED N#CCN1CC(n2cc(CNC(=O)[C@@]3(F)CCOC3)nn2)C1 1107200059 VUOQAGAGIBGOEP-CYBMUJFWSA-N 308.317 -0.597 30 20 DBED CC#CCN1CC(n2cc(CNC(=O)C3(C(N)=O)CC3)nn2)C1 1107202312 CEHCMOQRAYVVDY-UHFFFAOYSA-N 316.365 -0.960 30 20 DBED N#Cc1ccc(NC/C=C/CNC(=O)[C@@H]2CCNC2=O)nn1 1107453625 ZMUMQQDIMADPGM-GXFZAYBSSA-N 300.322 -0.431 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)CNc1ccc(C#N)nn1 1107695655 QHMNCMGWZYDYRJ-SNVBAGLBSA-N 300.322 -0.596 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)CCn3cccn3)CC2=O)C1 1108505734 BUCXJICLKYSFJF-CYBMUJFWSA-N 317.393 -0.140 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)C[C@H]1CCC(=O)N1C 1108634283 MYJQMJNRIYRHGD-WDEREUQCSA-N 316.365 -0.302 30 20 DBED C=CCOCC(=O)N[C@H](C)CN(C)c1ncnc2c1nnn2C 1108867290 NREGIZJPQBOSAE-SNVBAGLBSA-N 319.369 -0.098 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1ncn(C)n1 1109227245 IUBFKLGKUFIJHL-AGIUHOORSA-N 303.366 -0.200 30 20 DBED CN1CCO[C@H](C(=O)N(C)CCCN=c2cc[nH]c(C#N)n2)C1 1109418727 DDQIFLLQNYIKKG-LBPRGKRZSA-N 318.381 -0.639 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C1=COCCO1 1110252506 KIWCAMPIDDTHTK-UPJWGTAASA-N 319.361 -0.655 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@]1(O)CCN(c2ccc(C#N)nn2)C1 1111042289 RZAAJIDGCCJCNE-HZMBPMFUSA-N 300.322 -0.435 30 20 DBED C#CCOCCC(=O)N(C)[C@H]1CN(c2cnc(F)cn2)C[C@@H]1O 1111190562 IFSLJBINBHBRPS-RYUDHWBXSA-N 322.340 -0.337 30 20 DBED N#Cc1cnc(NCCN(CCO)C(=O)Cc2cnc[nH]2)cn1 1111569554 ASBKTWWHFUHLHH-UHFFFAOYSA-N 315.337 -0.453 30 20 DBED C[C@@H]1C[C@H](NC(=O)CC(N)=O)CCN1c1nccnc1C#N 1112459992 QTRRHWIZLMNYSF-NXEZZACHSA-N 302.338 -0.303 30 20 DBED C=CCN1CC[C@H](N2CCN(C(=O)[C@@H](C)NC(C)=O)CC2)C1=O 1112603734 FANHXKRURXZXTN-OCCSQVGLSA-N 322.409 -0.558 30 20 DBED Cc1nsc(N2C[C@H](CNC(=O)CC(N)=O)[C@@H](O)C2)c1C#N 1112724835 FKLIMCAZOGFTTF-WPRPVWTQSA-N 323.378 -0.888 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)c2n[nH]c(C)c2C)CC1 1112732600 REODSVWLIBGYPW-ZDUSSCGKSA-N 317.393 -0.078 30 20 DBED COC(=O)NCC(=O)N[C@H](C)[C@H](C)N=c1cc[nH]c(C#N)n1 1112915803 CSRHGZIMHNRFLA-DTWKUNHWSA-N 306.326 -0.569 30 20 DBED CC(=O)NC(C)(C)C(=O)N[C@@H](C)[C@H](C)N=c1cc[nH]c(C#N)n1 1113091177 DWGWDFVAKDQDOH-UWVGGRQHSA-N 318.381 -0.010 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)CC(F)(F)F)[C@@H]2C1 1113980136 XIWNIGPQBYMONC-RKDXNWHRSA-N 303.284 -0.265 30 20 DBED C=CCOCC(=O)NC1[C@H]2CN(Cc3nnnn3C3CC3)C[C@H]12 1114054310 NAEHAJUYSDNMQA-RYUDHWBXSA-N 318.381 -0.243 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3ccnn3CC)[C@H]2C1 1114174773 ZSJGJNYTYOOHKC-RYUDHWBXSA-N 315.377 -0.688 30 20 DBED C#CCCCC(=O)NC1[C@@H]2CN(CC(=O)NCCCOC)C[C@@H]12 1114198291 ABHFLURQCPMCKC-ZIAGYGMSSA-N 321.421 -0.011 30 20 DBED C#CCCCC(=O)NC1[C@@H]2CN([C@@H]3CCC(=O)NC3=O)C[C@@H]12 1114199556 WSMWJCPACKASIH-IJLUTSLNSA-N 303.362 -0.359 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3n[nH]cc3C)[C@H]2C1 1114232137 PKMOURHRQXDDST-YABSGUDNSA-N 301.350 -0.872 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)CCc3cnc[nH]3)[C@@H]2C1 1114385345 WQCLHBMMDJDZIQ-CHWSQXEVSA-N 315.377 -0.862 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)Cc3cnc(C)o3)[C@@H]2C1 1114401045 MVTXUWNBDDZGDO-CHWSQXEVSA-N 316.361 -0.679 30 20 DBED COc1ccc(CNC(=O)C(=O)N2CCO[C@@H](C#N)C2)cc1O 1117034621 YVSDVFAEPYGIJD-NSHDSACASA-N 319.317 -0.232 30 20 DBED C[C@H](CN(C)C(=O)[C@H]1CNC(=O)N1)Nc1ncccc1C#N 1120632821 DDHPGXAKTZSBOU-MWLCHTKSSA-N 302.338 -0.107 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H](CO)CNC(=O)c1cc[n+]([O-])cc1 1121010705 QDGWYFTYLUCLHG-CYBMUJFWSA-N 313.317 -0.789 30 20 DBED CCOCCC(=O)NC[C@H](CO)Nc1nc(C)cc(C#N)n1 1121204510 HUJZPOOVYNLJHF-GFCCVEGCSA-N 307.354 -0.028 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)c2ncccc2O)nn1 1121339486 JZTQILOEALEDAK-JTQLQIEISA-N 314.305 -0.348 30 20 DBED Cn1ccc(CC(=O)NC[C@H](CO)Nc2ccc(C#N)nc2)n1 1121480595 MATVLTIPMGWEPY-CQSZACIVSA-N 314.349 -0.182 30 20 DBED N#Cc1cncc(N[C@H](CO)CNC(=O)Cc2ccc[nH]2)n1 1121624127 ODQMRVXZNKEBSP-LBPRGKRZSA-N 300.322 -0.192 30 20 DBED Cc1nc(N[C@H](CO)CNC(=O)c2cnn(C)n2)ccc1C#N 1121771665 VWPDWGYKLNDNOG-NSHDSACASA-N 315.337 -0.407 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)CSC 1123177966 KCWOKUQZLGZNSE-SECBINFHSA-N 302.400 -0.545 30 20 DBED CNC(=O)CC(=O)N1C[C@H](Nc2ccc(C#N)nn2)C[C@@H]1C 1123204831 WOZFBIJDFPHMJA-GXSJLCMTSA-N 302.338 -0.114 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)c1ccon1 1124091556 SZCIFMGJIBDDMQ-VIFPVBQESA-N 302.294 -0.697 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)CNC(=O)OC 1124186792 PTRRHJPPIJZMLU-UHFFFAOYSA-N 312.370 -0.751 30 20 DBED CC(C)[C@@H](O)C(=O)N(C)C[C@H](O)CN(C)c1cnc(C#N)cn1 1125075879 TUTGJFFKWRRBRE-TZMCWYRMSA-N 321.381 -0.379 30 20 DBED C#CCNC(=O)CC(=O)NCCNCC(=O)N(CCC)CCC 1125978794 YHWOERKNBYHNHB-UHFFFAOYSA-N 324.425 -0.520 30 20 DBED COCCN(CCNC(=O)[C@H](C)OC)c1cnc(C#N)cn1 1126238190 LLZNVTOSNQXBQN-NSHDSACASA-N 307.354 -0.048 30 20 DBED C#CCNC(=O)CNCCNC(=O)C(C)(C)C1CCOCC1 1131097698 VNZSKNVGLAFKCP-UHFFFAOYSA-N 309.410 -0.106 30 20 DBED C=CCN1C[C@H]2C[C@@H]3CN(C(=O)CC(=O)N(C)C)C[C@@]3(C1)O2 1131274299 UIKVUOPHXILFOX-XJKCOSOUSA-N 307.394 -0.048 30 20 DBED CC#CCN1CCNC(=O)CCN(C(=O)CCCC(N)=O)CC1 1131399753 YXHDAZWWFMOPTD-UHFFFAOYSA-N 322.409 -0.684 30 20 DBED C[C@@H]1CCN(C(=O)CCNS(C)(=O)=O)C[C@H]1CNCC#N 1132864767 BFHZDZYZQBFPTH-VXGBXAGGSA-N 316.427 -0.477 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1cc(C2CC2)[nH]n1 1134240037 WTFSCWKJSGQLAC-JTQLQIEISA-N 303.366 -0.256 30 20 DBED C[C@H]1CCC[C@@H](OCC(=O)NCCNCC(=O)NCC#N)C1 1134619669 YTOLVMCWLMKFDF-QWHCGFSZSA-N 310.398 -0.073 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)CCN2CCOCC2)C1=O 1135352588 JCTPRXMQSKNKBY-CQSZACIVSA-N 324.425 -0.799 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1noc2c1C[C@H](C)CC2 1146327981 VNPCPVSQPXKCQY-LLVKDONJSA-N 318.377 -0.132 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(Cc2cnn(C)n2)CCCO1 1149383451 GFTVVDXBJPSVSL-AWEZNQCLSA-N 323.397 -0.275 30 20 DBED CC#CCN1CCCO[C@@H](CNC(=O)Cn2cnnc2O)C1 1149565631 GDQYBKALJGBAFF-LBPRGKRZSA-N 307.354 -0.786 30 20 DBED CC#CCN1CCCO[C@H](CNC(=O)[C@@]2(C)CNC(=O)C2)C1 1150023241 SOKRNUXNXGFNEK-CZUORRHYSA-N 307.394 -0.257 30 20 DBED C[C@H](NCCNC(=O)CC#Cc1ccccc1)C(=O)NC(N)=O 1151958226 DETWWEZWLUGDTC-LBPRGKRZSA-N 316.361 -0.283 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@H](C)CS(C)(=O)=O 1152626557 KPIIYUWBICTPCF-GHMZBOCLSA-N 319.427 -0.936 30 20 DBED C=CCOCC(=O)NCCCNC[C@H](O)CO[C@H](C)COC 1155707304 GCPIAZDQMPSYFT-KGLIPLIRSA-N 318.414 -0.303 30 20 DBED N#Cc1c[nH]c(C(=O)NCCCNC[C@H](O)Cn2cccn2)c1 1156296279 KXTSTPGQHPBAEQ-ZDUSSCGKSA-N 316.365 -0.147 30 20 DBED C#CCOCCC(=O)NCCCNC[C@@H]1CCS(=O)(=O)C1 1157846714 ZKYXGUNIIZNTRS-ZDUSSCGKSA-N 316.423 -0.443 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)c1cn(C)nc1OC 1163825334 SOPSDRIJRCQFAZ-LLVKDONJSA-N 323.397 -0.171 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)[C@H]2CCN(C)C2=O)C1=O 1164296425 YTUBVIFYHAQADY-CHWSQXEVSA-N 322.409 -0.653 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCCCNCCNS(C)(=O)=O 1166986488 IMDGPXMBQDSOBC-NEPJUHHUSA-N 319.427 -0.777 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCCNCc1nc(=O)n(C)[nH]1 1168100579 DVGSOKNYSYTPJG-AAEUAGOBSA-N 323.397 -0.315 30 20 DBED COCCC1(C(=O)NCCCNCC(=O)NCC#N)CCC1 1174637830 WKYWENRYZLFVGY-UHFFFAOYSA-N 310.398 -0.071 30 20 DBED C=CCO[C@@H](C)C(=O)NCCCNCC(=O)NC(=O)NCC 1177269040 CUIRTZKSMXKAMM-NSHDSACASA-N 314.386 -0.481 30 20 DBED C=CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)CC(=O)N(C)C)[C@H]1C 1179699439 XBIPFXXSCAJULT-AVGNSLFASA-N 324.425 -0.266 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2c(C)ccn2C)C1 1182173385 LOQINMFDALGFEU-CYBMUJFWSA-N 302.378 -0.113 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)c2ccn(CCOC)n2)C1 1184138721 PFOGYUJEYNRUQT-CQSZACIVSA-N 320.393 -0.017 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2ccnnc2)C1 1185881195 CXOFBGNXZQDKFZ-DGCLKSJQSA-N 303.366 -0.029 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)COCC=C)[C@@H]2C1 1187295775 GIPWZHHLJIBKON-UONOGXRCSA-N 305.378 -0.529 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2[nH]cnc2CC)C1 1187501251 SHRAWGJEAOISFP-NWDGAFQWSA-N 317.393 -0.086 30 20 DBED C=CCOCC(=O)N1CC[C@H](N(C)CCS(C)(=O)=O)C1 1189378994 DFBWNNDFWKMVHA-LBPRGKRZSA-N 304.412 -0.234 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2cc(Cl)c[nH]2)C1 1190984830 WBMLRRBNFBOGEO-VXGBXAGGSA-N 324.768 -0.808 30 20 DBED CN(CC(=O)NCC#N)[C@H]1CCN(C(=O)CCc2ccon2)C1 1191341529 OLFJKEWLWPYOGA-ZDUSSCGKSA-N 319.365 -0.220 30 20 DBED C=CCCO[C@@H](C)C(=O)N[C@@H]1CN(CCn2cncn2)C[C@H]1O 1191622432 MMHQFHMDTLBFJT-BFHYXJOUSA-N 323.397 -0.579 30 20 DBED CCC[C@@H](C)CC(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1O 1191675927 CKNLLHMZQXASNS-JHJVBQTASA-N 310.398 -0.386 30 20 DBED CCN(C)C(=O)CN1C[C@@H](O)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 1192248087 DYRIFJAUQYPTTB-CHWSQXEVSA-N 319.365 -0.860 30 20 DBED C#CCCCCC(=O)N[C@@H]1CN([C@H](C)c2nnnn2C)C[C@H]1O 1192321233 UFASWPUTQCFXTG-JHJVBQTASA-N 320.397 -0.374 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)CO[C@H]2CCOC2)C1 1192940619 QDKKOQLBGHKRJE-BFHYXJOUSA-N 314.382 -0.844 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)CCc2c(C)ncnc2O)C1 1194399681 PQQPTBCSYSUBKZ-CHWSQXEVSA-N 306.366 -0.229 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)[C@H](C)NS(C)(=O)=O)C1 1196429460 MEUVPGZWMSWXKD-QJPTWQEYSA-N 319.427 -0.948 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)c2nocc2C)C1 1197502362 IYVTYAVBUMBVEN-QJPTWQEYSA-N 322.365 -0.551 30 20 DBED C#CCN1CCCN(C(=O)CNC(=O)c2ccccn2)CC1 1198236438 LEQGGMWWHYBOGZ-UHFFFAOYSA-N 300.362 -0.021 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)CNC(=O)c2ccsc2)C1 1198785863 UAYZTSWGNMAPLG-GHMZBOCLSA-N 308.363 -0.837 30 20 DBED N#CCNC(=O)CNC[C@@H]1CN(C(=O)CCCF)CCCO1 1201179640 XGBZOOJPZHOJJX-GFCCVEGCSA-N 314.361 -0.417 30 20 DBED COCC#CCNC1CCN(C(=O)[C@@H]2CCC(=O)NC2)CC1 1201399666 KKIZFSMOQJSURY-CYBMUJFWSA-N 307.394 -0.257 30 20 DBED CCC(=O)N1CC[C@H](C(=O)N2CCCO[C@@H](CNCC#N)C2)C1 1201800687 OGTFNRRKXLHFDG-KBPBESRZSA-N 322.409 -0.024 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)c2cn(C)c(=O)n2C)CCCO1 1202163947 KRAUKGUFBIGBRF-CYBMUJFWSA-N 320.393 -0.432 30 20 DBED C=CCCN[C@H]1C[C@H]2CC[C@H]1N(C(=O)CN1CCNC(=O)C1)C2 1204626812 GRELGQKFZAEYQD-QLFBSQMISA-N 320.437 -0.037 30 20 DBED CN(C)S(=O)(=O)CC(=O)N1C[C@H]2CC[C@H]1[C@H](NCC#N)C2 1204925901 DGMGWAUOFWNMAU-TUAOUCFPSA-N 314.411 -0.630 30 20 DBED COCC#CCN[C@@H]1CCCN(C(=O)[C@H]2CN(C)C(=O)N2)C1 1208962575 OIRBLLMSEOUCNJ-CHWSQXEVSA-N 308.382 -0.760 30 20 DBED COCC#CCN1C[C@@H](NC(=O)CC2(O)CCC2)[C@H](OC)C1 1212246231 OBLJSSYDFHIPJG-ZIAGYGMSSA-N 310.394 -0.243 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)CCNC(=O)C(C)(C)C 1213248480 CSXBRECDGMEJPR-VXGBXAGGSA-N 310.398 -0.122 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)C2CCOCC2)C[C@H]1C 1214039032 ULOCOPHUXAQPBW-VNHYZAJKSA-N 321.421 -0.013 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2ncccn2)C[C@H]1C 1216019984 GNBOTEHXYWXNQE-FRRDWIJNSA-N 315.377 -0.335 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2ccccc2F)C1 1219102860 DGPIOWHNYBNGLQ-KGLIPLIRSA-N 319.336 -0.650 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(Cc2conc2C)C[C@@H]1O 1219527085 IRLYNWLPEYHAHC-IPYPFGDCSA-N 309.366 -0.029 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)[C@H](NC(N)=O)C(C)(C)C)C1 1220759995 VKYLDBUDKUKQTM-WOPDTQHZSA-N 312.414 -0.193 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](NC(=O)CS(=O)(=O)CCC)C1 1220996015 BRNLPZUAYOPLSJ-OLZOCXBDSA-N 318.439 -0.061 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)[C@H](CCCC)NC(N)=O)C1 1221159496 OZZTXPVRCUSJDK-XQQFMLRXSA-N 312.414 -0.049 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@@H](NC(C)=O)C(C)(C)C)C1 1221182527 ZYTVBQMPSDMBFJ-HZSPNIEDSA-N 309.410 -0.278 30 20 DBED Cc1c[nH]c(C(=O)N2C[C@H]3CCN(CC(=O)NCC#N)C[C@H]32)n1 1221860506 QIOQQRLVXDJKPG-VXGBXAGGSA-N 316.365 -0.496 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)[C@H](C)NC(=O)CC)CC1 1227496813 SZAVSOIGQQTEGK-LBPRGKRZSA-N 324.425 -0.216 30 20 DBED CO[C@@H](C(=O)NC1CCN(CC(=O)NCC#N)CC1)C(C)C 1228992878 ZLIBIERFWGZGES-CQSZACIVSA-N 310.398 -0.122 30 20 DBED CN(C[C@H]1CCN1CC(=O)NCC#N)C(=O)[C@@H]1CCCN1C 1231253963 DASOGWCKWLTQHF-OLZOCXBDSA-N 307.398 -0.747 30 20 DBED C=C[C@](C)(O)CC(=O)N(C)C[C@@H]1CCN1Cc1nnnn1C 1233976597 GZHAWDBZBVYYBN-FZMZJTMJSA-N 308.386 -0.430 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C[C@H]1CCN1Cc1cn(C)nn1 1234266765 UDGCFSCECDEBSH-TZMCWYRMSA-N 305.382 -0.114 30 20 DBED CNC(=O)CNC(=O)C(=O)Nc1ccccc1O[C@@H](C)C#N 1254358375 GJMCMZQJALNWJC-VIFPVBQESA-N 304.306 -0.222 30 20 DBED CCc1nncn1CCNC(=O)C(=O)N1CC[C@](F)(C#N)C1 1261092984 WCXFNAQKCMYLAK-ZDUSSCGKSA-N 308.317 -0.579 30 20 DBED CCN(C[C@@H]1CCOC1)C(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1261484846 LNRQTPKNZYAEJY-WFASDCNBSA-N 309.366 -0.252 30 20 DBED COCCN(C(=O)CSCC#N)[C@@H]1CCS(=O)(=O)C1 1318339344 RSPJMWPWULEFTC-SNVBAGLBSA-N 306.409 -0.095 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N(C)[C@@H](C)CS(C)(=O)=O 1324237150 VZEXKYAODVNRIO-VHSXEESVSA-N 306.384 -0.805 30 20 DBED C=CCCCS(=O)(=O)N[C@@H](CN1CCOCC1)C(=O)O 1326110416 DHWFMFIBANRGKI-NSHDSACASA-N 306.384 -0.343 30 20 DBED COC(=O)NCCNC(=O)C(=O)Nc1cc(C)c(C#N)cn1 1327083859 GIOHOUBCJRFOJD-UHFFFAOYSA-N 305.294 -0.328 30 20 DBED C=CCN1CCC(NC(=O)[C@@]2(OC)CCS(=O)(=O)C2)CC1 1331901135 SANBPFAXWGLKQI-CQSZACIVSA-N 316.423 -0.043 30 20 DBED C#CC1CCN(C(=O)C(=O)N2CCC(NC(C)=O)CC2)CC1 1332355348 FKZJPZCDGIUBCO-UHFFFAOYSA-N 305.378 -0.015 30 20 DBED C#CCNC(=O)CN(C)C[C@H](O)CN(C)C(=O)[C@H]1CC1(C)C 1332632448 JXWHYXXAPILMGA-QWHCGFSZSA-N 309.410 -0.467 30 20 DBED C=CCS(=O)(=O)CCn1nnnc1N(C)CC1(C)COC1 1334295554 BWJPPFCRFCYLQR-UHFFFAOYSA-N 315.399 -0.253 30 20 DBED N#Cc1cccc(CNC(=O)C(=O)N[C@H]2CCS(=O)(=O)C2)c1 1334807156 DKLCRWCMKGQSLK-LBPRGKRZSA-N 321.358 -0.522 30 20 DBED CN1C(=O)[C@@H]2CN(c3nnc([C@@H]4C[C@@H]4C#N)n3C)C[C@@H]2C1=O 1339700946 PKDSKSVSPHQDAQ-KYXWUPHJSA-N 300.322 -0.507 30 20 DBED O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)NCC1CC1 1340309822 YVERJGYCIKPYBO-QXMHVHEDSA-N 306.322 -0.845 30 20 DBED COC(=O)N1CCC[C@H](NC(=O)C(=O)N2CCO[C@H](C#N)C2)C1 1345549936 ZJCLVZDOZILVOQ-WDEREUQCSA-N 324.337 -0.916 30 20 DBED C[C@@H](Cn1cccn1)NC(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1345838767 DHQWVIBGFDUTLN-FZMZJTMJSA-N 305.338 -0.735 30 20 DBED C#CC[C@@H]1NC(=O)N([C@H]2CCN(C3CCOCC3)C2=O)C1=O 1351772407 URMCWUQMHDFJSF-RYUDHWBXSA-N 305.334 -0.290 30 20 DBED Cc1onc(CC(=O)N2CCOC[C@H]2c2nn[nH]n2)c1C#N 1363115588 CMURVGUIEOBJKY-JTQLQIEISA-N 303.282 -0.490 30 20 DBED COC[C@H](NS(=O)(=O)c1c(C)cc(F)cc1C#N)C(N)=O 1363973158 JVAKQPSUOFFFAE-JTQLQIEISA-N 315.326 -0.216 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)NCCS(=O)(=O)C1CC1 1364007093 RNZCETAVNLVJEI-VIFPVBQESA-N 309.413 -0.511 30 20 DBED C=C(Cl)CN1CC[C@H](CNC(=O)CN2CCNC(=O)C2)C1 1372632184 IDTPZXWBCFAJFH-GFCCVEGCSA-N 314.817 -0.391 30 20 DBED C[C@@H](CNC(=O)c1c[nH]c(C#N)c1)CNC(=O)[C@@H]1COCCO1 1388404404 NBIGKJBIGBUYPB-GWCFXTLKSA-N 320.349 -0.216 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1csc2cncn12 1389127811 NDIBZXAKKGLMCB-DTWKUNHWSA-N 321.362 -0.238 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)c2cn(C)c(=O)n2C)CC1 1393817413 LJKXZMNJXOBGSM-SECBINFHSA-N 305.338 -0.738 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H]1CNC(=O)CN1CCCC1=O 1399277101 JXDHLLCBHJTHOM-VXGBXAGGSA-N 306.366 -0.124 30 20 DBED C=C(Cl)CN1CC(NC(=O)[C@H](CCC)S(N)(=O)=O)C1 1404802510 ZQFUQHGYAHKJNN-JTQLQIEISA-N 309.819 -0.004 30 20 DBED COCCN(CCNC(=O)c1ncccn1)C(=O)[C@H](C)C#N 1405776981 XAFBRWMHRWHDBY-LLVKDONJSA-N 305.338 -0.159 30 20 DBED C=C(Cl)CNC[C@H](O)CNC(=O)C[C@@H]1CCC(=O)NC1 1406231169 DMPIAJIBUGHCGQ-QWRGUYRKSA-N 303.790 -0.278 30 20 DBED C[C@H](C#N)C(=O)N1CCN(CCNC(=O)C[C@@H]2CCCO2)CC1 1407438689 JZZDQCRABVYUGH-KGLIPLIRSA-N 322.409 -0.024 30 20 DBED COc1cccnc1C(=O)NC[C@H](O)CNC(=O)[C@H](C)C#N 1410155213 WPXNRIQBFDJZLA-NXEZZACHSA-N 306.322 -0.543 30 20 DBED C[C@H](C#N)C(=O)N1CCN(CCNC(=O)c2cnn(C)c2)CC1 1429785858 NJALWWMDHOLPRX-GFCCVEGCSA-N 318.381 -0.546 30 20 DBED Cc1nnc(NC(=O)Cn2cc(C#N)c(O)nc2=O)n1C1CC1 1449299271 QMPKIKCICFYKRZ-UHFFFAOYSA-N 315.293 -0.306 30 20 DBED N#Cc1cn(CCNC(=O)c2c[nH]nc2C2CC2)c(=O)nc1O 1457950463 NWRJVMUHWPTZKB-UHFFFAOYSA-N 314.305 -0.149 30 20 DBED CC(C)NC(=O)[C@H](C)NC(=O)CCn1cc(C#N)c(O)nc1=O 1469011203 PTOGLGZUNLHAOC-VIFPVBQESA-N 321.337 -0.760 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)NC1CC(CO)(CO)C1 1475551659 QDXBEVYNVZEKSK-SNVBAGLBSA-N 305.400 -0.564 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C1 1490576879 NHMZHHXDGYYNEK-VXGBXAGGSA-N 317.411 -0.929 30 20 DBED C=C(Br)CNC[C@H](C)CNC(=O)Cn1cnnn1 1495619146 UXMMQUGEBLJCIK-QMMMGPOBSA-N 317.191 -0.076 30 20 DBED C[C@@H](CN1CCOCC1)C(=O)N1CC(NC(=O)[C@H](C)C#N)C1 1530618434 QONOOZWTQPGSRZ-NEPJUHHUSA-N 308.382 -0.559 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H](C)C1CN(C(=O)CNC(=O)O)C1 1573311257 KYTPJMGGIKRDCH-NXEZZACHSA-N 311.338 -0.745 30 20 DBED CC(C)(C#N)CS(=O)(=O)N[C@@H]1CN(C(=O)O)C[C@H]1CO 1573408173 UXQJDMPGDWNDHX-DTWKUNHWSA-N 305.356 -0.574 30 20 DBED C#CCCOC(=O)N1CC(S(=O)(=O)N2CCNCC2)C1 1574582816 APNBNTSSXOTWDU-UHFFFAOYSA-N 301.368 -0.935 30 20 DBED CNC[C@@H](O)[C@@H](C)C(=O)N1CCN(c2ncccc2C#N)CC1 1578641654 VWJCYOVBQBZRTE-TZMCWYRMSA-N 317.393 -0.182 30 20 DBED N#CC1(C(=O)NCCn2cnc(-c3nn[nH]n3)n2)CC2(CC2)C1 1581856773 CQEUTFGUXXGHJP-UHFFFAOYSA-N 313.325 -0.342 30 20 DBED CC(C)[C@@H](CNC(=O)C(=O)NC1CCN(CC#N)CC1)C(=O)O 1588815761 VPELYHURKWWGQX-GFCCVEGCSA-N 324.381 -0.436 30 20 DBED CCN(C(=O)CCn1cc(C#N)c(O)nc1=O)C(C)(C)C(=O)O 1596139769 HGNYQCFMWSDIDM-UHFFFAOYSA-N 322.321 -0.078 30 20 DBED CN(CC(=O)N1CCC(C#N)(C(=O)O)CC1)S(C)(=O)=O 1598379347 PJTAIJYIAYEVPI-UHFFFAOYSA-N 303.340 -0.905 30 20 DBED N#Cc1ccc(C(=O)N2CCC[C@H]2C(=O)NCC(=O)O)nc1 1601091907 DMUDCOHSXLDKGA-NSHDSACASA-N 302.290 -0.241 30 20 DBED N#Cc1ccc(NCC(=O)NC[C@]2(C(=O)O)CCOC2)nc1 1601108352 MRPFZKIAYCJOBG-CQSZACIVSA-N 304.306 -0.027 30 20 DBED C[C@@H]1CN(c2cnc(C#N)c(-c3nn[nH]n3)n2)CC[S@@](=O)C1 1603940631 JBBNWZNIHJSWPA-CWMRNNLJSA-N 318.366 -0.267 30 20 DBED O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@H]1CC[C@H]1C(=O)O 1606556527 XHYJYKUFNPGVSG-KIXLWSODSA-N 307.306 -0.260 30 20 DBED N#Cc1nc(NC(=O)C[C@@H]2CSCCN2)[nH]c1-c1nn[nH]n1 1609496407 JYGLZAZXOKPPNZ-ZCFIWIBFSA-N 319.354 -0.505 30 20 DBED C#CCCN1CC[C@H](NC(=O)[C@H](CCC)S(N)(=O)=O)C1 1698547792 ZZLCKRRCWFTOKY-RYUDHWBXSA-N 301.412 -0.343 30 20 DBED C#CCNC(=O)CN[C@@H](C)CCNC(=O)c1snnc1C 1714459107 MBIZDHGDNPPZRY-VIFPVBQESA-N 309.395 -0.306 30 20 DBED C#CCNC(=O)CN[C@H](CNC(=O)[C@@]1(C)CCOC1)C1CC1 1752489434 DWSBHTJVZSKKNN-CJNGLKHVSA-N 307.394 -0.353 30 20 DBED CNC(=O)C1(C(=O)NC[C@H](NCC#CCOC)C2CC2)CC1 1752517523 PXQHFMDWQIGDKM-ZDUSSCGKSA-N 307.394 -0.353 30 20 DBED COCC#CCN1CCC[C@H]1CNC(=O)CNC(=O)C1CC1 1753098778 OXMYNSBNOBLACN-AWEZNQCLSA-N 307.394 -0.257 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCC[C@H]1CNC(=O)c1[nH]nnc1C 1753109005 QUCYWWZAVSTMEI-NEPJUHHUSA-N 320.397 -0.002 30 20 DBED CCn1cnc(C(=O)N(C)[C@@H]2CCN(CC(=O)NCC#N)C2)c1 1753448500 VLWAQYNHNCISAL-GFCCVEGCSA-N 318.381 -0.311 30 20 DBED C#CCNC(=O)CNC[C@@](C)(NC(=O)[C@@H]1CCOC1)C1CC1 1753514710 NGMPKXITUGUSBK-MLGOLLRUSA-N 307.394 -0.353 30 20 DBED C=C1CC(C)(C(=O)NC[C@@H](O)CNCCN2C(=O)CCC2=O)C1 1753928199 XUTGFDXPYZFKRK-LBPRGKRZSA-N 323.393 -0.442 30 20 DBED CC#CCNC[C@]1(C)CCN(C(=O)Cn2ncn(C)c2=O)C1 1754699701 LFTOKEXVPSXWKZ-HNNXBMFYSA-N 305.382 -0.567 30 20 DBED COCC#CCN1CC(O)(CNC(=O)[C@H]2C[C@@H]2C(F)F)C1 1754767083 FBJCSSHYAXZBBE-QWRGUYRKSA-N 302.321 -0.300 30 20 DBED C#CCN(C)C[C@@H]1CCCN1C(=O)CN1CCCS1(=O)=O 1755194521 AIOAXCUNZCWQBN-ZDUSSCGKSA-N 313.423 -0.422 30 20 DBED C#CCNC(=O)CN1C[C@H](NC(=O)c2cnnn2C)C(C)(C)C1 1755409169 ZVRNVDNMRRVNEJ-LBPRGKRZSA-N 318.381 -0.995 30 20 DBED Cn1nncc1C(=O)N[C@H]1C[C@H](CNC(=O)CSCC#N)C1 1756249038 SBCPTURCWDXCLJ-MGCOHNPYSA-N 322.394 -0.304 30 20 DBED CC(C)C#CC(=O)NCCCOCCNC(=O)C1(C(N)=O)CC1 1756399976 FBQWAYYHKQYTLF-UHFFFAOYSA-N 323.393 -0.450 30 20 DBED CC(C)C#CC(=O)N(C)C[C@@H](O)CN(C)C(=O)c1cn[nH]c1 1756683918 PJBQHOGYSNOECA-CYBMUJFWSA-N 306.366 -0.040 30 20 DBED C=CCCC(=O)N(C)C[C@@H](O)CN(C)C(=O)c1cnc(O)n1C 1756684196 RRTYKXFKLPBVEO-LLVKDONJSA-N 324.381 -0.017 30 20 DBED C=C[C@](C)(O)CC(=O)N1C[C@@H](O)[C@H](NC(=O)C2=CCOCC2)C1 1756998029 PZWRUHHMDMBLQN-IOASZLSFSA-N 324.377 -0.652 30 20 DBED C#CCCCC(=O)N1CCC[C@H](N(CCO)C(=O)CC(N)=O)C1 1757462586 KYZQRBILZWOWKO-ZDUSSCGKSA-N 323.393 -0.523 30 20 DBED C#CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CNC(=N)N)n[nH]1 1817256442 CNEABCZJSJVUSQ-SNVBAGLBSA-N 317.353 -0.482 30 20 DBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)COC(C)C)C2)C1 1839805112 CEUSOALKRLYSLI-INIZCTEOSA-N 324.377 -0.499 30 20 DBED N#Cc1ccccc1OCC(=O)N1CCN(CC(N)=O)CC1 54482099 OPFCXRFUXKPPLP-UHFFFAOYSA-N 302.334 -0.433 30 20 DBED CCN(CC#N)C(=O)CCNS(=O)(=O)c1cn(C)c(C)n1 102637605 NOVRQQRXEUOTRB-UHFFFAOYSA-N 313.383 -0.231 30 20 DBED C/N=C(/NC[C@@H]1CCS(=O)(=O)C1)N[C@@H]1CCN(C2CC2)C1 262452856 WGSPXMFNPYDLBA-NWDGAFQWSA-N 314.455 -0.177 30 20 DBED CS(=O)(=O)N[C@H]1CCCC[C@H]1C/N=C(\N)N1CCOCC1 262686867 YQWYSRQFRTXGON-RYUDHWBXSA-N 318.443 -0.259 30 20 DBED CN1CCN(C(=O)C(=O)Nc2cccc(OCC#N)c2)CC1=O 267393962 JDXKGTHQKBSSOS-UHFFFAOYSA-N 316.317 -0.172 30 20 DBED CC(C)(C#N)c1ccc(NC(=O)C(=O)N2C[C@H](O)[C@H](O)C2)cc1 277535041 MUNXDSOWSDJINP-BETUJISGSA-N 317.345 -0.010 30 20 DBED C[C@@H]1OCC[C@@H]1N/C(O)=N/C[C@H]1CCN(S(C)(=O)=O)C1 328905585 AXELPOBZXAJYQR-AXFHLTTASA-N 305.400 -0.051 30 20 DBED Cn1nnc2c1C[C@H](/C(O)=N/C[C@@H]1CN3CCN1CC3)CC2 329440828 AGUXMVRQRAANRH-VXGBXAGGSA-N 304.398 -0.124 30 20 DBED CCS(=O)(=O)C[C@H](C)/N=C(/O)N[C@H]1CCC(=O)N(C)C1 330874047 DHBUKOBFMMXHKG-UWVGGRQHSA-N 305.400 -0.066 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[C@](C)(C(N)=O)C1 337157662 QBWQWJFVHSASBG-PWSUYJOCSA-N 302.400 -0.090 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@@H]2[C@H]4O)CCO1 337223222 CZQYVIWOVPGNKX-WTHWOGDNSA-N 313.379 -0.843 30 20 DBED CCOC1CC(O)(CNS(=O)(=O)N(C)[C@H](C)CC#N)C1 337761533 KLXCCTQHYFKMQK-VOMCLLRMSA-N 305.400 -0.015 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(C)[C@H]2CCSC2)C1=O 339582390 TZKDVKPDTQOJLD-VIFPVBQESA-N 311.363 -0.073 30 20 DBED C=CC[C@@H](CO)CNS(=O)(=O)N1CCC(C(=O)OC)CC1 341204482 UICBFYPLRRTCAL-LLVKDONJSA-N 320.411 -0.110 30 20 DBED CC(C)(C)C(=O)N1CSC[C@H]1C(=O)NCC(=O)NCC#N 343533963 WLJCEYJWEPDQTG-VIFPVBQESA-N 312.395 -0.310 30 20 DBED C=C(C)CN1CCC(NC(=O)C(=O)N(C)CCC(=O)NC)CC1 343904035 DGZJHDCHXGJLTP-UHFFFAOYSA-N 324.425 -0.262 30 20 DBED COCCN1CC[C@@H](NC(=O)C(=O)N2CCC(C#N)CC2)C1 343908394 JNKJENYIKQXWJF-CYBMUJFWSA-N 308.382 -0.415 30 20 DBED C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC[C@@H](C)C1 349499390 FFSQGJWECMMFGO-MNOVXSKESA-N 323.440 -0.120 30 20 DBED CC[C@@H](C)[C@H](NC(=O)Cn1cncc(C#N)c1=O)C(=O)OC 351773774 MINRBEZUTCVIHD-SKDRFNHKSA-N 306.322 -0.181 30 20 DBED N#Cc1ccc(NCC(=O)N2CCOC[C@@H]2c2ncon2)nc1 352662509 APPCOMMMDOOZME-LLVKDONJSA-N 314.305 0.348 30 20 DBED C=CCOC[C@@H](NC(=O)c1cc(C)nc(NC)n1)C(=O)OC 357671322 HTOHVDABEFBTEN-LLVKDONJSA-N 308.338 0.301 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CC[C@@H](CC(N)=O)C1 377340026 QDUNHHDKSAICBP-QWRGUYRKSA-N 302.400 -0.090 30 20 DBED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[C@@H]2CNC[C@@H]21 418830341 OFXHLGUCNLEIML-ZOBORPQBSA-N 307.394 -0.096 30 20 DBED C#CCN1CCN(C(=O)CN2CC[C@@H]3NC(=O)OC[C@H]3C2)CC1 490831099 RCNZWKOLLRRUCQ-KGLIPLIRSA-N 320.393 -0.806 30 20 DBED C#CCN1CCN(C(=O)CN[C@](C)(C(=O)OC)C2CC2)CC1 490876898 VPKQMKWDGAMWMK-INIZCTEOSA-N 307.394 -0.305 30 20 DBED C[C@@H]1CN(C[C@@H](O)CN2CCN(C(=O)CC#N)CC2)C[C@@H](C)O1 563363012 HTCGOCAVLGXXSR-KFWWJZLASA-N 324.425 -0.486 30 20 DBED N#Cc1cc(F)ccc1S(=O)(=O)N1C[C@@H](O)[C@@H](CO)C1 569745702 ZVZAMUDOURONKS-MWLCHTKSSA-N 300.311 -0.329 30 20 DBED CN(C)C[C@](C)(C#N)NC(=O)CCn1nc2ccccn2c1=O 571885449 NKNFQPUILVJMKU-HNNXBMFYSA-N 316.365 -0.154 30 20 DBED COC[C@H](NC(=O)C(=O)NC1CCN(CC#N)CC1)C(C)C 588127318 CBEQNNURQUAGMP-ZDUSSCGKSA-N 310.398 -0.122 30 20 DBED CC(C)CC[C@H](CO)NS(=O)(=O)N1CCO[C@H](C#N)C1 599410397 JUIZEPKNURNBHL-VXGBXAGGSA-N 305.400 -0.158 30 20 DBED C=CCCSCCNC(=O)C(=O)NC[C@@H]1COCCN1 599954819 GEPDWQWTNVOMLC-LLVKDONJSA-N 301.412 -0.484 30 20 DBED C=CCN(C(=O)CN1CCN(CC)C(=O)C1=O)[C@@H](C)COC 617576820 AOIAUKZXQLUIJV-LBPRGKRZSA-N 311.382 -0.273 30 20 DBED N#C[C@H]1CN(S(=O)(=O)NCC(=O)NC2CCCC2)CCO1 619709112 VWTCRSXMMISSFE-NSHDSACASA-N 316.383 -0.896 30 20 DBED CC#CC[C@@H](CO)NC(=O)N[C@@H]1CCN(C2CCOCC2)C1=O 645341801 GEKBSWAZLQHFHZ-GXTWGEPZSA-N 323.393 -0.160 30 20 DBED N#CCNC(=O)COC(=O)CN1C(=O)CCOc2ccccc21 731239654 QKMSNSWZCPZQRM-UHFFFAOYSA-N 317.301 -0.015 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCN/C(O)=C1/N=CC=CC1=O 732153698 NPELLHZVUDXDOM-XQTVBXIXSA-N 316.361 -0.273 30 20 DBED C[C@H](OC(=O)C(C)(C)NS(C)(=O)=O)C(=O)N(C)CCC#N 751695661 LHMKZYCSJDCFBO-VIFPVBQESA-N 319.383 -0.382 30 20 DBED C#CCOCCC(=O)NCCS(=O)(=O)N1CCSCC1 755874701 DPGPJEOGEANWHR-UHFFFAOYSA-N 320.436 -0.479 30 20 DBED C#CCNS(=O)(=O)N1CCN([C@@H](CC)C(=O)OCC)CC1 761038251 URJPELAGLXPZSM-LBPRGKRZSA-N 317.411 -0.587 30 20 DBED C[C@H]1CN(C)C(=O)CN1CCS(=O)(=O)c1ccc(C#N)cn1 808749957 HIKCUTBZMRQPLT-NSHDSACASA-N 322.390 -0.111 30 20 DBED C#CC[C@H]1NC(=O)N(Cc2cccc(OCC(N)=O)c2)C1=O 810002261 VPRJZFYDCYATRB-GFCCVEGCSA-N 301.302 -0.006 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)C1(COC)CCOCC1 811433806 HJJDXPVRQMYVAA-UHFFFAOYSA-N 314.338 -0.015 30 20 DBED N#Cc1cncc(S(=O)(=O)NC(=O)CN2CCOCC2)c1 813980171 UBKVALXEZIUEPM-UHFFFAOYSA-N 310.335 -0.910 30 20 DBED C#Cc1cccc(CNC(=O)C(=O)N2CCO[C@@H](C(=O)O)C2)c1 817113854 AILWIAJXSNSLLB-CYBMUJFWSA-N 316.313 -0.404 30 20 DBED CNS(=O)(=O)[C@H]1CCCN(C(=O)[C@](C)(C#N)CC(=O)O)C1 820640474 AULBUZHKEHWNAT-CABZTGNLSA-N 317.367 -0.469 30 20 DBED COc1cccc(C(=O)NCC(=O)N[C@@H]2CNC[C@@H]2C#N)c1 834500330 SCUCCHFBPRXLTB-WCQYABFASA-N 302.334 -0.347 30 20 DBED C#C[C@@H](NC(=O)C(=O)N1CCC(CCN)CC1)[C@H]1CCCO1 846330248 PHPMAORLCUBDRY-ZIAGYGMSSA-N 307.394 -0.129 30 20 DBED C=C[C@@H](C)ONC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 846543458 PCTCNHHJJGBYRJ-SECBINFHSA-N 321.337 -0.554 30 20 DBED C#CCNS(=O)(=O)N1CCN(Cc2cc(OC)no2)CC1 851873974 WFWWDZKFBFBJTL-UHFFFAOYSA-N 314.367 -0.732 30 20 DBED C=C[C@](C)(O)C(=O)NC[C@@H]1CN(C(=O)[C@](C)(O)C=C)CCO1 871460644 BGIASMRCCOKNEC-BYCMXARLSA-N 312.366 -0.796 30 20 DBED CS(=O)(=O)N1CC(C(=O)OC2CCN(CC#N)CC2)C1 892863237 JWTZRXZZYYOUBT-UHFFFAOYSA-N 301.368 -0.591 30 20 DBED C#CCNS(=O)(=O)N1CCN(Cc2cn(C)nc2C)CC1 895916225 WPMQQKMDCPXOIW-UHFFFAOYSA-N 311.411 -0.686 30 20 DBED CC(=O)N1CC(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)[C@H](C)C#N)C1 937002384 WRKWZSVHPMVKLE-ICCXJUOJSA-N 304.350 -0.564 30 20 DBED CN(C(=O)c1c[nH]c(C#N)c1)[C@@H]1CCN(C(=O)c2cnn[nH]2)C1 938830984 LYMIILSOFJHLCE-LLVKDONJSA-N 313.321 -0.009 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(CC1)CN(C(=O)[C@@H]1COC(=O)N1)C2 945030980 PDVZKGRHNYOREF-QWRGUYRKSA-N 320.349 -0.295 30 20 DBED C[C@@H]1CN(C(=O)CC(N)=O)CC[C@H]1NC(=O)c1cc(C#N)c[nH]1 945223611 DZIBOBZIBHCAFJ-MWLCHTKSSA-N 317.349 -0.271 30 20 DBED CC#CCN1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C[C@H]1C 947323252 JGFVIQQZZTZGRQ-NEPJUHHUSA-N 318.381 -0.631 30 20 DBED CN1C[C@H](C(=O)N2CCOC3(CCN(CC#N)CC3)C2)NC1=O 949156577 RWLACSAYXCEPLS-GFCCVEGCSA-N 321.381 -0.773 30 20 DBED CN(C(=O)C[C@@H]1CCC(=O)NC1)C1CN(C(=O)C#CC2CC2)C1 954457030 WKFGYDWUSWXAQV-ZDUSSCGKSA-N 317.389 -0.015 30 20 DBED COc1cnc(C(=O)N(C)C2CN(C(=O)[C@H](C)C#N)C2)nc1 954887727 NOYRHTQOABIZSE-SECBINFHSA-N 303.322 -0.072 30 20 DBED C#Cc1ccc(C(=O)N(C)C2CN(C(=O)c3ncn(C)n3)C2)nc1 954913857 SVHVCZOYQYPBPN-UHFFFAOYSA-N 324.344 -0.212 30 20 DBED Cn1cc(C(=O)N[C@]2(C)CCN(C(=O)C#CC3CC3)C2)nn1 956896474 BXKQADJUHZFZEN-OAHLLOKOSA-N 301.350 -0.051 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2c(C)c[nH]c2CC(N)=O)C1 958409264 QDRAQRYOUUCJGU-DGCLKSJQSA-N 318.377 -0.993 30 20 DBED C=CCCN1C[C@@H](O)[C@H](CNC(=O)c2nc3ncccn3n2)C1 958506978 JBZYMDCQKNJPQG-VXGBXAGGSA-N 316.365 -0.277 30 20 DBED CC#CCN1C[C@H](CNC(=O)c2coc(COC)n2)[C@@H](O)C1 958550655 DIFROXLLWHUHJI-AAEUAGOBSA-N 307.350 -0.133 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2ccn(C)c2)C1 958822562 XLKDXJQKHTWYCR-WXHSDQCUSA-N 304.350 -0.172 30 20 DBED C=C(Cl)CN1C[C@H]2[C@H](NC(=O)[C@H]3CCS(=O)(=O)N3)[C@H]2C1 962601325 BMMDUINYWOYCGG-YTWAJWBKSA-N 319.814 -0.523 30 20 DBED O=C(C#CC1CC1)N1CC2(C1)CN(C(=O)c1cnon1)CCO2 965460558 UCTJCTKIXQTISS-UHFFFAOYSA-N 316.317 -0.464 30 20 DBED C=CCCN1CC[C@H](C)[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C1 968682917 VQDWMJVKRLYHFG-RYUDHWBXSA-N 320.397 -0.220 30 20 DBED Cc1cncc(CC(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)c1 969125322 COJAHUNTOBKSRD-YUTCNCBUSA-N 316.361 -0.220 30 20 DBED C=C[C@@H](C(=O)N1C[C@H](O)[C@H](NC(=O)C(N)=O)C1)c1ccccc1 970208832 YAIJNJGYPJIJEB-UPJWGTAASA-N 317.345 -0.871 30 20 DBED CC#CCN1C[C@H]2CC[C@H]1CN2C(=O)C[C@H]1CC(=O)NC1=O 972182091 HRQPRSBHZDRFJE-FRRDWIJNSA-N 303.362 -0.262 30 20 DBED C=CCN1CCO[C@@]2(CCN(C(=O)C[C@@H]3CC(=O)NC3=O)C2)C1 972705123 QODQYVBWEVBIAT-LRDDRELGSA-N 321.377 -0.472 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)C(N)=O)C2)cn1 983198362 JPVYRWZPCCBKKV-SNVBAGLBSA-N 300.318 -0.874 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](CNC(=O)c2c[nH]c(=O)cn2)C1 983210187 BXTINHMCSJACDI-ZJUUUORDSA-N 303.322 -0.492 30 20 DBED C=CCN[C@H]1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)[C@H]1C 987103197 FFNRWACPPCTEBP-JQWIXIFHSA-N 306.366 -0.537 30 20 DBED C=CCN[C@H]1CCN(C(=O)c2cn(CC(=O)N(C)C)nn2)[C@@H]1C 987575013 HNJBCQHUBCZROT-NEPJUHHUSA-N 320.397 -0.255 30 20 DBED CCn1cc(C(=O)N2CC(NC(=O)c3ccc(C#N)[nH]3)C2)nn1 990887079 HQIPGYVDGMDCFV-UHFFFAOYSA-N 313.321 -0.248 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@@H](NC(=O)Cn2nccn2)[C@@H](O)C1 991505203 WTZWJPITYVDCBP-NEPJUHHUSA-N 321.381 -0.432 30 20 DBED C#CCN[C@@H]1CCC[C@@H]2CN(C(=O)Cn3c(O)nnc3O)C[C@@H]21 992867130 ABAIXONLYFBRLH-GRYCIOLGSA-N 319.365 -0.461 30 20 DBED Cc1nc2n(n1)C[C@H](C(=O)NC1CN(C(=O)[C@@H](C)C#N)C1)CC2 997634904 CHKIWYPBODZJKN-GXSJLCMTSA-N 316.365 -0.364 30 20 DBED N#Cc1ccc(C(=O)NCC2CN(C(=O)C3=COCCO3)C2)[nH]1 1001478765 WQAYKMWNFMPYJU-UHFFFAOYSA-N 316.317 -0.037 30 20 DBED C=C(C)CN1CCC[C@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 1009567012 WKEGEFPSZGLOAM-RYUDHWBXSA-N 301.412 -0.165 30 20 DBED C=C(Cl)CN1CC[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C1 1016283106 GUSRVGZLNWSGQO-VHSXEESVSA-N 307.803 -0.379 30 20 DBED CC(C)(C(N)=O)C(=O)N1CCC2(CN(C(=O)C#CC3CC3)C2)C1 1019011224 DGCJKJWFGUISFN-UHFFFAOYSA-N 317.389 -0.028 30 20 DBED C=C(C)CN[C@H]1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)C1 1019460151 RNCBVWRNVGFELE-NSHDSACASA-N 306.366 -0.536 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C(F)F)C[C@H]1O 1023959051 XDEFEOZOCGWCRT-DBIOUOCHSA-N 318.320 -0.079 30 20 DBED C[C@H](NC(=O)c1cn(C)c(=O)nc1O)[C@H]1CCCN(CC#N)C1 1025619234 UXJFAZBETZHSKB-QWRGUYRKSA-N 319.365 -0.160 30 20 DBED C=CCN1CC[C@@H](N[C@H](C)C2CCN(C(=O)C(N)=O)CC2)C1=O 1029138627 NPGBYQRUSVVSSN-DGCLKSJQSA-N 322.409 -0.525 30 20 DBED C=CCCn1cc(C(=O)NC2CN([C@@H]3CCN(C)C3=O)C2)nn1 1031079826 NFFZMIBORUWHQS-CYBMUJFWSA-N 318.381 -0.501 30 20 DBED CCN(C(=O)[C@H]1CCS(=O)(=O)N1)[C@H]1CCN(CC#N)C1 1034044499 LWETYDVXBRYPGO-WDEREUQCSA-N 300.384 -0.876 30 20 DBED C=CCN1CCCC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 1034218641 GTFXOCREWTWERX-NSHDSACASA-N 306.370 -0.466 30 20 DBED CC#CCN1CCO[C@H](CNC(=O)[C@@H]2CCc3nn[nH]c3C2)C1 1035575256 YSGRUSBXCUHUPH-CHWSQXEVSA-N 317.393 -0.250 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2CN(C[C@@H](C)O)CCO2)nc1 1035584619 XGZVWIIAHMMTHM-OCCSQVGLSA-N 303.362 -0.126 30 20 DBED C=CCN1CC[C@@H]2CN(C(=O)CN3CC(=O)NC3=O)CC[C@H]21 1036843662 KBTLQVYGHCUBKE-VXGBXAGGSA-N 306.366 -0.353 30 20 DBED N#CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)c1cccc(-n2cnnn2)c1 1037711481 KWUOPIAJDXFAQH-XBFCOCLRSA-N 309.333 -0.012 30 20 DBED C#CCN1CC[C@@H]1CNC(=O)c1ccc(=O)n(CCOC)c1 1038457910 HEJYKFKEJQVIBI-CQSZACIVSA-N 303.362 -0.068 30 20 DBED C=C(Cl)CN1CC[C@H]1CNC(=O)c1cn(CC(N)=O)nn1 1039044267 WCVDOIKXWSIBPX-VIFPVBQESA-N 312.761 -0.680 30 20 DBED CC(C)C#CC(=O)NC[C@]1(O)CCN(C(=O)c2cnnn2C)C1 1039664377 OZCPQQZNUCAQOF-OAHLLOKOSA-N 319.365 -0.832 30 20 DBED C#CCOCCC(=O)NC[C@@]1(O)CCN(C(=O)c2cnco2)C1 1039720941 GQDPZFFZQFOXPZ-HNNXBMFYSA-N 321.333 -0.592 30 20 DBED C[C@H]1[C@@H](Nc2cncc(C#N)n2)CCN1C(=O)[C@H]1CNC(=O)N1 1040235001 ZNTPVLMCJSCEDF-INTQDDNPSA-N 315.337 -0.569 30 20 DBED C=CCCCC(=O)NC[C@@]1(O)CCN(C(=O)CNC(N)=O)C1 1040728068 WDRBBHATXHOEGI-AWEZNQCLSA-N 312.370 -0.909 30 20 DBED C=C1CC(C)(C(=O)NC[C@@]2(O)CCN(C(=O)CNC(C)=O)C2)C1 1040850227 JSHWVOULCGEFEI-INIZCTEOSA-N 323.393 -0.442 30 20 DBED C=C1CCC(C(=O)N2CC(O)(CNC(=O)CNC(N)=O)C2)CC1 1041385347 XDVBVTKNTHRTEK-UHFFFAOYSA-N 324.381 -0.909 30 20 DBED C#CCN1CC[C@@]2(CCN(C(=O)CN3CCCNC3=O)C2)C1 1041441347 XARCLIMELITHFW-MRXNPFEDSA-N 304.394 -0.041 30 20 DBED N#CCSCC(=O)NCC1(O)CN(C(=O)[C@H]2CCCO2)C1 1041568725 NZTVJYMFHFDBQQ-SNVBAGLBSA-N 313.379 -0.888 30 20 DBED CSCC(=O)N1CC(O)(CNC(=O)CSCC#N)C1 1041569352 UQWQFUFPJKCOMB-UHFFFAOYSA-N 303.409 -0.704 30 20 DBED CC(C)OCC(=O)NCC1(O)CN(C(=O)c2cc(C#N)c[nH]2)C1 1041841325 YMFJVENZCAOJDC-UHFFFAOYSA-N 320.349 -0.386 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(O)(CNC(=O)C[C@@H](C)OC)C1 1041938686 WIDDFQFKLIVPAV-BXUZGUMPSA-N 314.382 -0.572 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)C2[C@H]3CCC[C@H]23)C1 1042397707 PUHJCVSIWISCSF-AGIUHOORSA-N 320.389 -0.240 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(O)CN(C(=O)c2ccn(C)n2)C1 1042810860 DHLYRQODAZWMAX-CQSZACIVSA-N 322.365 -0.950 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)[C@H]2CCCOCC2)C1 1042822003 DLUGRGPFUBTWJA-RYUDHWBXSA-N 309.366 -0.348 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)CN2CCCNC2=O)C1 1043820349 KUUGYPUDHNNQDA-UHFFFAOYSA-N 324.381 -0.943 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)Cc3ccon3)C2)cn1 1043883886 QRBSGBHZBQBKGG-KGLIPLIRSA-N 313.317 -0.150 30 20 DBED C#CCOc1ncccc1C(=O)N(C)C1CN([C@@H](C)C(N)=O)C1 1044202772 ZLBRVFBVDKWBDP-NSHDSACASA-N 316.361 -0.276 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)C2=COCCO2)C1 1044478998 PWBHODDKOCDGCZ-UHFFFAOYSA-N 310.350 -0.224 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)[C@H](C)n2cccn2)C1 1045540980 NXDANYBGFWVWDI-QWRGUYRKSA-N 305.338 -0.707 30 20 DBED C#CCN1CC[C@H](N2CCN(C(=O)CN3CCCC3=O)CC2)C1 1046002402 VMFCUPIKVKOKFF-HNNXBMFYSA-N 318.421 -0.540 30 20 DBED C=CCN1CC[C@@H](N2CCN(C(=O)Cn3cnnc3O)CC2)C1 1046023034 CZUUWRXILQBPFM-CYBMUJFWSA-N 320.397 -0.612 30 20 DBED C#CCN1CC[C@@](C)(NC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 1046505953 NCSKITKOUGMGII-SWLSCSKDSA-N 301.350 -0.421 30 20 DBED N#Cc1ccc(N[C@H]2C[C@H](CNC(=O)[C@@H]3CNC(=O)N3)C2)cn1 1047009093 AZRVWLXPMOAZMO-XDTLVQLUSA-N 314.349 -0.059 30 20 DBED C#CCCN1C[C@H]2C[C@@H](NC(=O)Cn3cnnc3O)C[C@H]1C2 1047055010 KCEUDACISXAFNU-YNEHKIRRSA-N 303.366 -0.024 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(C(=O)NC)c2)C1 1047632797 ARRZATFYNVCVFP-GJZGRUSLSA-N 315.373 -0.204 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2CN([C@H](C)C(N)=O)C[C@@H]2C1 1048869645 CGPMHPUJENGPTJ-KBXIAJHMSA-N 318.421 -0.652 30 20 DBED C=C(C)CCC(=O)N(C)[C@H]1CN(C(=O)c2cnnn2C)C[C@@H]1O 1048937309 DXFSXVDPHUANCM-STQMWFEESA-N 321.381 -0.185 30 20 DBED C#CCCN1C[C@H]2CN(C(=O)C3CC(=O)NC(=O)C3)C[C@H]2C1 1049114059 KFYRRPNCMSVXAR-BETUJISGSA-N 303.362 -0.547 30 20 DBED C#CCCN1CCOC[C@H]1CNC(=O)[C@H]1CCCCC(=O)N1 1051109772 OCEFTFBDANIAOX-ZIAGYGMSSA-N 307.394 -0.115 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)C1CCN(C(C)=O)CC1 1051238195 HNRZZRLYDXMVHC-OAHLLOKOSA-N 307.394 -0.305 30 20 DBED COCCN1C[C@H](C(=O)N[C@H]2CCCN(CC#N)CC2)CC1=O 1052429857 OFKUNLXAJAFVPF-KGLIPLIRSA-N 322.409 -0.024 30 20 DBED C#CCCN1CCC[C@H](NC(=O)CN2CC(=O)NC2=O)CC1 1052798771 XSTRDWWFACIWJT-LBPRGKRZSA-N 306.366 -0.468 30 20 DBED C=CCCN1CC2(C1)CN(C(=O)C1CN(C(C)=O)C1)CCO2 1053234299 SKFYLMBEMZDGTP-UHFFFAOYSA-N 307.394 -0.046 30 20 DBED CC(=O)N1CCC[C@H](C(=O)N2CCOC3(CN(CC#N)C3)C2)C1 1053332376 YLBPCXYWYPPABN-AWEZNQCLSA-N 320.393 -0.318 30 20 DBED N#CCN1CC2(CC[C@@H](CNC(=O)c3ccc(C(N)=O)[nH]3)O2)C1 1053661009 RSMIFSJCNLSTHH-JTQLQIEISA-N 317.349 -0.400 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)c3nnn(C)c3C)CO2)C1 1053768748 IBRYXMASPIBSOH-LBPRGKRZSA-N 303.366 -0.280 30 20 DBED C[C@H]1CN(C(=O)C2CC3(C2)CS(=O)(=O)C3)C[C@@H]1NCC#N 1054798252 RSMRXIVHRXDBDZ-JQWIXIFHSA-N 311.407 -0.229 30 20 DBED Cn1cc(C(=O)NC2[C@@H]3CN(c4ccnc(C#N)n4)C[C@@H]23)cn1 1056136228 VYCNKCLSKVNTQN-GHMZBOCLSA-N 309.333 -0.054 30 20 DBED C=CCCOCC(=O)N1CC[C@H]2[C@H]1CCCN2C(=O)C(N)=O 1056537122 GWSQGWPZAIAXHM-NEPJUHHUSA-N 309.366 -0.344 30 20 DBED N#Cc1nc(=N[C@@H]2CCN(C(=O)C[C@H]3CCNC3=O)C2)cc[nH]1 1056716230 HILBQELRZSKDDP-GHMZBOCLSA-N 314.349 -0.691 30 20 DBED N#CCSCC(=O)N(CCO)CCNC(=O)c1ccnnc1 1057029927 GGFVESQFZGWEDG-UHFFFAOYSA-N 323.378 -0.716 30 20 DBED N#Cc1c[nH]c(C(=O)NCCN(CCO)C(=O)[C@H]2CCOC2)c1 1057145617 FSLVWMWGUOPXLF-LBPRGKRZSA-N 320.349 -0.526 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)CNC(=O)CC 1057211978 HMDSZTQFNJGXFR-UHFFFAOYSA-N 311.382 -0.747 30 20 DBED C#CCCCCC(=O)N(CCO)CCNC(=O)[C@@H]1CCNC1=O 1057390618 IQNOHRRYTYRFQB-CYBMUJFWSA-N 323.393 -0.747 30 20 DBED C#CCO[C@H](C)C(=O)N(CCO)CCNC(=O)Cc1cnoc1 1057588168 VOUFEXFWBPAPAH-GFCCVEGCSA-N 323.349 -0.808 30 20 DBED CN1CC[C@H](C(=O)N(CCO)CCNC(=O)C#CC(C)(C)C)C1 1057632866 ZSPLQNBCRDEPDG-AWEZNQCLSA-N 323.437 -0.075 30 20 DBED C=CCCOCC(=O)N(CCO)CCNC(=O)CSC 1057918841 BKHPKQBNSLAHQG-UHFFFAOYSA-N 304.412 -0.121 30 20 DBED N#Cc1cnc(N2CC[C@H](NC(=O)c3nccnc3N)C2)cn1 1058315684 JWUSQFRCNSLXIM-VIFPVBQESA-N 310.321 -0.271 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)c1ncccn1 1058520639 PZMYHHSYRWFTGK-UHFFFAOYSA-N 304.350 -0.313 30 20 DBED COCC1(CC(=O)NCCN(CCO)C(=O)[C@H](C)C#N)CC1 1058652923 IJQCGRLQUSJFGY-GFCCVEGCSA-N 311.382 -0.100 30 20 DBED CO[C@H](C(=O)NCCN(CCO)C(=O)[C@H](C)C#N)C1CCC1 1058660469 AXMOBNIRWTXUHC-YPMHNXCESA-N 311.382 -0.102 30 20 DBED Cc1cc(C#N)nc(N[C@H]2C[C@H](NC(=O)Cn3ncnn3)C2)n1 1059310994 UNCYFOQVPQUFDM-MGCOHNPYSA-N 313.325 -0.598 30 20 DBED Cc1cc(C#N)nc(N[C@H]2C[C@H](NC(=O)[C@H]3CCNC3=O)C2)n1 1059364676 DDZOQRMWEAAJCI-NHCYSSNCSA-N 314.349 -0.148 30 20 DBED CO[C@H](C)C(=O)N1CCOC[C@@H]1CNC(=O)CSCC#N 1061318473 UJKMUBGCGJALLL-MNOVXSKESA-N 315.395 -0.378 30 20 DBED C#CCOCCC(=O)NC[C@H]1COCCN1C(=O)[C@@H](C)OC 1061580934 IHBLNPMQSYOZMF-OLZOCXBDSA-N 312.366 -0.595 30 20 DBED Cc1cnc(C(=O)N2CCOC[C@H]2CNC(=O)[C@@H](C)C#N)cn1 1061846925 QWLCMUMWDHMFPX-CMPLNLGQSA-N 317.349 -0.098 30 20 DBED N#Cc1nccc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)c2ccc(O)nn2)n1 1064216771 PPDNVTDEHXGRKJ-YACGNSKGSA-N 323.316 -0.149 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)[C@H](C)S(C)(=O)=O)CCC1 1064309845 CFJKZOXSXDKTDB-UWVGGRQHSA-N 315.395 -0.266 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2nonc2C)CCO1 1065310185 ZNDRCORYCYOZCN-LLVKDONJSA-N 324.337 -0.462 30 20 DBED N#Cc1ccc(N2CCOC[C@@H]2CNC(=O)c2cnon2)nc1 1066496802 HTNISFXNNGELSV-NSHDSACASA-N 314.305 -0.029 30 20 DBED N#Cc1nccnc1N1C[C@H](O)[C@H](CNC(=O)c2cn[nH]c2)C1 1067651264 ISRGFBZYOYPJAW-PWSUYJOCSA-N 313.321 -0.702 30 20 DBED N#Cc1ccc(C(=O)NC[C@@H]2CN(c3ncccn3)C[C@H]2O)[nH]1 1067668563 YSCLUSQFBXMTSB-ZWNOBZJWSA-N 312.333 -0.097 30 20 DBED N#Cc1cnccc1N1C[C@H]2CC[C@H]1CN2C(=O)Cn1cnnn1 1068026297 JHXAHZMFULMTQM-QWHCGFSZSA-N 324.348 -0.180 30 20 DBED C=CCOCC(=O)N1CC2(C1)CN(C(=O)c1ncc[nH]1)CCO2 1068391712 XXOHZXLHWLZJGF-UHFFFAOYSA-N 320.349 -0.334 30 20 DBED Cc1nn[nH]c1C(=O)NC1(CNC(=O)[C@H](C)C#N)CCOCC1 1070185003 YVBGZKYPLOELOC-SECBINFHSA-N 320.353 -0.332 30 20 DBED C#CCCCCC(=O)N[C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1C 1071556676 LKWWQWDTESQIIW-CHWSQXEVSA-N 318.381 -0.170 30 20 DBED C#CCCN1C[C@@H](NC(=O)CN2CCNC(=O)C2)CC[C@H]1C 1071739356 RKGWWPJWDBJGGQ-KGLIPLIRSA-N 306.410 -0.589 30 20 DBED C#CCOCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)Cc2nc[nH]n2)C1 1072100499 HXABAWPVNBYCPV-NEPJUHHUSA-N 319.365 -0.650 30 20 DBED N#CCN1CCCO[C@H](CNC(=O)c2cnc3[nH]nnc3c2)C1 1073639913 NMELJDXZJVLMIP-LLVKDONJSA-N 315.337 -0.303 30 20 DBED C#CCCN1CCCO[C@H](CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 1073769996 YLYJQCPNZNGXJW-HZSPNIEDSA-N 323.393 -0.750 30 20 DBED CC#CCN1CCCO[C@@H](CNC(=O)C2CC(=O)NC(=O)C2)C1 1073818986 VBEMJTKJAFCLMY-ZDUSSCGKSA-N 321.377 -0.730 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)c3ccc(C(N)=O)[nH]3)C[C@H]21 1074341014 OMQNYFBVAWFGAJ-ZIAGYGMSSA-N 316.361 -0.338 30 20 DBED C=CCN1CCO[C@@H]2CCN(C(=O)c3cn(C)c(=O)n3C)C[C@H]21 1074414523 BEAAFUMYMVGACU-TZMCWYRMSA-N 320.393 -0.175 30 20 DBED C[C@H](C#N)C(=O)N1CCC(O)(CNC(=O)c2csnn2)CC1 1074706058 FCORBVMKIOGGIJ-SECBINFHSA-N 323.378 -0.219 30 20 DBED C#CCN1C[C@@H]2CCN(C(=O)CN3CCC(=O)NC3=O)[C@@H]2C1 1076437648 QKOVWKLUDUNVID-NWDGAFQWSA-N 304.350 -0.906 30 20 DBED NC(=O)C(=O)N[C@@H]1CN(CC#Cc2ccccc2Cl)C[C@H]1O 1077605969 NPBOHAIDKJLCLO-CHWSQXEVSA-N 321.764 -0.662 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(C[C@H]3CCOC3)C[C@H]2O)nc1 1078031083 BFSWXGYUXIMQPT-FVQBIDKESA-N 315.373 -0.126 30 20 DBED CCN(C(=O)CSCC#N)C1CN(C(=O)Cn2cncn2)C1 1079344460 AHGGYOPFEQEDNV-UHFFFAOYSA-N 322.394 -0.406 30 20 DBED CCN(C(=O)C#CC1CC1)C1CN(C(=O)Cn2cnnn2)C1 1079736819 LHCACRWDRGLQSI-UHFFFAOYSA-N 302.338 -0.854 30 20 DBED CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)c2cn(C)c(O)n2)C1 1080414329 JDBOBAALVGDGSH-SECBINFHSA-N 305.338 -0.042 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1cnn2c(=O)cc[nH]c12 1080575504 ZBVHDHKOUKKGGJ-MWLCHTKSSA-N 300.322 -0.404 30 20 DBED C=CCn1cc(C(=O)NC2(CO)CCN(C(C)=O)CC2)nn1 1080865064 IPWTULJTJQUCMX-UHFFFAOYSA-N 307.354 -0.433 30 20 DBED CCCN(C)CC(=O)NC1(CO)CCN(C(=O)[C@H](C)C#N)CC1 1080930458 XICUIFYXSITVAD-CYBMUJFWSA-N 324.425 -0.042 30 20 DBED C#CCOCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CSC)C1 1081236946 IVULWVBTMZPJAZ-NWDGAFQWSA-N 314.407 -0.675 30 20 DBED CCOCC(=O)N1C[C@H](CNC(=O)c2c[nH]c(C#N)c2)[C@@H](O)C1 1081418675 BMOWDWJLJNOXGF-AAEUAGOBSA-N 320.349 -0.528 30 20 DBED CCOCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 1081418678 BMOWDWJLJNOXGF-YPMHNXCESA-N 320.349 -0.528 30 20 DBED CC(C)C#CC(=O)N1C[C@H](CNC(=O)c2cccnn2)[C@@H](O)C1 1081686900 BPOKBBDNDDMBPJ-JSGCOSHPSA-N 316.361 -0.315 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@@H]2CCc3nnn(C)c3C2)[C@H](OC)C1 1082069524 MTXWMFPSGUMKQB-UXIGCNINSA-N 317.393 -0.631 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1ccc(C(N)=O)[nH]1 1083195995 AJAJCMYDLYOPBR-UONOGXRCSA-N 316.361 -0.338 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CCCN1C(C)=O 1083287228 XYWLQQCPHQSPTI-OWCLPIDISA-N 319.405 -0.068 30 20 DBED N#Cc1ccc(CN2C[C@H](O)[C@H](NC(=O)c3cnn[nH]3)C2)cc1 1083597851 QZCHABHPIAFLTF-KGLIPLIRSA-N 312.333 -0.349 30 20 DBED CC1(C)[C@H](NC(=O)Cn2ncnn2)[C@@H]2CCCN(CC#N)[C@H]21 1087286459 RDPGOFJNUWDNEE-CYZMBNFOSA-N 303.370 -0.198 30 20 DBED CC[C@@H]1[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)CCN1CC#N 1087822013 QXWNVXKDPPHGNO-WDEREUQCSA-N 307.354 -0.627 30 20 DBED N#Cc1cncc(N2CC=C(CCNC(=O)C(N)=O)CC2)n1 1089862568 WDTLYEIRCCEJGX-UHFFFAOYSA-N 300.322 -0.524 30 20 DBED N#CCN1C[C@H](NC(=O)Cn2ncnn2)CC2(CCOCC2)C1 1089939218 ONEFWZJKYZUPQC-GFCCVEGCSA-N 319.369 -0.816 30 20 DBED CC(C)(C)n1nnc(C(=O)N[C@H]2CCN(CC#N)C[C@H]2O)n1 1090278969 INJVYAVXMAQFIP-VHSXEESVSA-N 307.358 -0.883 30 20 DBED CSCC(=O)N[C@@H]1CN(c2nc(C)cc(C#N)n2)C[C@H]1O 1090368266 AYQVYOIDMFUXRG-GHMZBOCLSA-N 307.379 -0.315 30 20 DBED COc1cc(CC(=O)N[C@@H]2CCN(CC#N)C[C@@H]2O)ccn1 1090571253 BHBWZXBRFRTQHH-OLZOCXBDSA-N 304.350 -0.292 30 20 DBED C[C@@H]1CN(c2ccncc2C#N)C[C@H]1NC(=O)CNC(N)=O 1090649979 USBPSHQPJRGBLW-MWLCHTKSSA-N 302.338 -0.438 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CN(c2ncnc3c2ncn3C)C[C@@H]1O 1091079900 ZCLWBYHOKLEYRT-BBBLOLIVSA-N 315.337 -0.811 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)c3cnn[nH]3)c3nccn32)C1 1092379950 MFJCCDKCGUWAJB-NSHDSACASA-N 311.349 -0.090 30 20 DBED Cc1nc(N(C)C)nc(N2C[C@H]3C(NC(=O)[C@H](C)C#N)[C@@H]3C2)n1 1093235353 PPSWVAGRVNWRBO-FBIMIBRVSA-N 315.381 -0.044 30 20 DBED N#Cc1nccc(N2C[C@@H]3C(NC(=O)C4(C(N)=O)CC4)[C@H]3C2)n1 1093355982 ITQJYCHQHUAVAR-IUCAKERBSA-N 312.333 -0.835 30 20 DBED CC(=O)N1CCC[C@H]1C(=O)NCCNc1nccnc1C#N 1093782513 DOPKMOHATGNRBB-LBPRGKRZSA-N 302.338 -0.113 30 20 DBED CC(=O)N1CCC[C@H]1C(=O)NCCNc1ccc(C#N)nn1 1093783207 ZKGRGOWCQHQFFM-LBPRGKRZSA-N 302.338 -0.113 30 20 DBED Cc1cc(C#N)nc(NCCNC(=O)[C@H]2CC[C@H]2C(N)=O)n1 1094035419 ZCXGWWRVDFCZCH-MNOVXSKESA-N 302.338 -0.304 30 20 DBED C#CCCN1CCN(C(=O)C(F)F)[C@@H]2CS(=O)(=O)C[C@@H]21 1094596002 JSWVRQPIYQVCKD-VHSXEESVSA-N 306.334 -0.415 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC[C@@H](Nc2ccc3nnnn3n2)C1 1095037752 NOCUCFCJTOULSG-QMTHXVAHSA-N 317.353 -0.141 30 20 DBED CNC(=O)NCC(=O)N1CC[C@@H](N(C)c2ccc(C#N)nn2)C1 1095157136 QHIJDVKTMUVLNN-LLVKDONJSA-N 317.353 -0.686 30 20 DBED Cc1ccc(C#N)c(N(C)CCCNC(=O)Cn2ncnn2)n1 1095645171 FMGBRRSUBZCBGK-UHFFFAOYSA-N 314.353 -0.109 30 20 DBED CN1C[C@@H](C(=O)NCCCN(C)c2cncc(C#N)n2)NC1=O 1095703079 DIZCFYIKNWIDAU-NSHDSACASA-N 317.353 -0.686 30 20 DBED CN(CCCNC(=O)[C@@H]1CNC(=O)N1)c1ccc(C#N)nc1 1095715928 YIDIUGAMXPCXGP-LBPRGKRZSA-N 302.338 -0.423 30 20 DBED C#CCNCc1cn([C@H]2CCN(C(=O)CN3CCCC3)C2)nn1 1098780291 UFOMNPZOSJQCMT-HNNXBMFYSA-N 316.409 -0.130 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)c2cccs2)[C@H](O)C1 1099629822 ICKPSEIPETVKEU-NWDGAFQWSA-N 321.402 -0.338 30 20 DBED N#Cc1cccc(CN2CC[C@H](NC(=O)CC(N)=O)[C@H](O)C2)c1 1099744041 QVTZBPMJYFKGGR-UONOGXRCSA-N 316.361 -0.515 30 20 DBED C#CCCCC(=O)N[C@@H]1CCN(Cc2nncn2C)C[C@@H]1O 1099808023 ZYKFYTIQHDGIDL-OLZOCXBDSA-N 305.382 -0.330 30 20 DBED Cn1cncc1CN1CC[C@@H](NC(=O)C#CC2CC2)[C@@H](O)C1 1099824836 ZWWSDDJCDHMEQQ-CABCVRRESA-N 302.378 -0.115 30 20 DBED CN1C[C@H](C(=O)NCCN(C)c2cncc(C#N)n2)CC1=O 1100384031 WXCFSAXDCSXIQB-SNVBAGLBSA-N 302.338 -0.621 30 20 DBED CC(=O)N[C@H](C)C(=O)N(C)[C@@H]1CCN(c2ccnc(C#N)n2)C1 1102668877 WGGYBYXUNXANHB-ZYHUDNBSSA-N 316.365 -0.090 30 20 DBED CCNC(=O)CC(=O)N1CCC[C@@H]1CN=c1cc[nH]c(C#N)n1 1103802374 WOUBVMDOKGCSAA-LLVKDONJSA-N 316.365 -0.301 30 20 DBED C#CCNC(=O)CNCC[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1C 1104005261 YAHHPCUJIAZPLK-BFHYXJOUSA-N 304.394 -0.030 30 20 DBED C[C@H](CNC(=O)[C@H]1CCNC1=O)CNc1cncc(C#N)n1 1104157204 HSLFFAASGSGPOD-ONGXEEELSA-N 302.338 -0.351 30 20 DBED COCC(=O)N[C@@H](C)C(=O)N1C[C@@H](C)[C@H](CCNCC#N)C1 1104226856 CKRQJKFYKUNIPI-FRRDWIJNSA-N 310.398 -0.265 30 20 DBED CC#CCNCc1cn(C2CN(C(=O)[C@H](C)NC(C)=O)C2)nn1 1105146545 GCDADKZFJAONBH-NSHDSACASA-N 318.381 -0.701 30 20 DBED C#CCNCc1cn(C2CN(C(=O)CN3CC[C@@H](C)C3)C2)nn1 1105327264 YWJCCFSLOCDZTH-CYBMUJFWSA-N 316.409 -0.274 30 20 DBED Cc1ccc(C#N)c(NC[C@@H](O)CNC(=O)[C@@H]2COCCO2)n1 1105779533 DHHXUTFTQSAEOD-OLZOCXBDSA-N 320.349 -0.434 30 20 DBED Cn1cncc1CC(=O)NC[C@H](O)CNc1cnc(C#N)cn1 1105914371 VCEZNASLXHEWFH-GFCCVEGCSA-N 315.337 -0.787 30 20 DBED N#Cc1nccnc1NC[C@H](O)CNC(=O)C1(F)CCOCC1 1106150174 MMWOLZKVLFPBBR-JTQLQIEISA-N 323.328 -0.244 30 20 DBED C#CCN1CC(n2cc(CNC(=O)[C@H](CC)N(C)C)nn2)C1 1107211976 ITOOIYHPEFGIHO-AWEZNQCLSA-N 304.398 -0.276 30 20 DBED C[C@]1(CNC(=O)C#CC2CC2)CN(CCn2cncn2)CCO1 1107931818 AZOKMYLFULVBOA-INIZCTEOSA-N 317.393 -0.101 30 20 DBED C[C@H](CNc1cncc(C#N)n1)NC(=O)CN1CCCNC1=O 1108208316 CWUGVEBQGMFAHS-SNVBAGLBSA-N 317.353 -0.320 30 20 DBED Cc1cc(=NC[C@H](C)NC(=O)C2CS(=O)(=O)C2)c(C#N)c[nH]1 1108547572 KICQRDQHEQATRY-JTQLQIEISA-N 322.390 -0.355 30 20 DBED C[C@@H](CN=c1cc[nH]cc1C#N)NC(=O)[C@H](C)S(C)(=O)=O 1108773864 SLIZGIKEYVEBKG-UWVGGRQHSA-N 310.379 -0.275 30 20 DBED Cc1nc(N(C)C[C@H](C)NC(=O)[C@H]2CNC(=O)N2)ccc1C#N 1109210651 FLHJCDSSQFPZQJ-JOYOIKCWSA-N 316.365 -0.116 30 20 DBED CN1CCO[C@@H](C(=O)N(C)CCCN=c2cc[nH]cc2C#N)C1 1109418659 AXBYWIGVFOUCRH-OAHLLOKOSA-N 317.393 -0.034 30 20 DBED C=CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCn1cc[nH]c(=O)c1=O 1109847746 FSEUIHUCKFIVKM-AGIUHOORSA-N 318.377 -0.166 30 20 DBED Cn1nnc(C(=O)NCC2(Nc3ncc(C#N)cc3F)CC2)n1 1110298330 NZLSJCUZBYMCJX-UHFFFAOYSA-N 316.300 -0.010 30 20 DBED Cc1cc(C#N)nc(NC2(CNC(=O)c3nnn(C)n3)CC2)n1 1110298577 XQDUCBOWILHXMV-UHFFFAOYSA-N 313.325 -0.445 30 20 DBED C[C@H]1C[C@H](Nc2cnc(C#N)cn2)CCN1C(=O)CNC(N)=O 1110507367 KODGWEHYYTZRGH-VHSXEESVSA-N 317.353 -0.192 30 20 DBED C#CCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC 1110553504 SNKOHXPZUWLLEZ-MCIONIFRSA-N 307.394 -0.116 30 20 DBED N#Cc1nccc(N2CC[C@@](O)(CNC(=O)c3cn[nH]c3)C2)n1 1111051214 YXOICBNSZZVZNY-CQSZACIVSA-N 313.321 -0.557 30 20 DBED C=CCCC(=O)N(C)[C@H]1CN(c2ccc3nnnn3n2)C[C@@H]1O 1111175512 IYQRIVBNVKAWSY-QWRGUYRKSA-N 317.353 -0.507 30 20 DBED CO[C@H](C)C(=O)N[C@]1(CO)CCCN(c2cncc(C#N)n2)C1 1111336493 QUKSKTQEDFDZFQ-IAQYHMDHSA-N 319.365 -0.169 30 20 DBED CC(C)OCCC(=O)N(CCO)CCN=c1cc[nH]c(C#N)n1 1111441838 JYRAEIQUGIZURM-UHFFFAOYSA-N 321.381 -0.182 30 20 DBED Cn1nncc1C(=O)N(CCO)CCNc1cnc(C#N)cn1 1111459773 HBPWLBLXXRUZIP-UHFFFAOYSA-N 316.325 -0.977 30 20 DBED COCCC(=O)NC[C@@H]1COCCN1c1nccnc1C#N 1111649689 RYJKNSGDTGXVAI-LLVKDONJSA-N 305.338 -0.294 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCC[C@]2(NC(=O)c2cnon2)C1 1111906954 WVLVBQTZJPSQTB-NHYWBVRUSA-N 317.349 -0.597 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(c2nccc(C)n2)C[C@H]1O 1112702468 RRDDGLXZKAWTFN-QWHCGFSZSA-N 306.366 -0.099 30 20 DBED C#CCOCCC(=O)NC[C@H]1CN(c2cnc(F)cn2)C[C@@H]1O 1112738684 RHSVBUMOLDEADA-RYUDHWBXSA-N 322.340 -0.431 30 20 DBED COCC#CCN1CCN(C(=O)c2ccnc(OC)n2)CC1 1113090879 YQXNAXOVHULSIC-UHFFFAOYSA-N 304.350 -0.107 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN([C@H](CC)C(N)=O)CC1 1113409846 BSSUVHUQVCKMRR-UONOGXRCSA-N 324.425 -0.135 30 20 DBED CCN1CCO[C@@H](C(=O)N2CCN(CC#CCOC)CC2)C1 1113658494 XWJJHFPQIDWGNB-OAHLLOKOSA-N 309.410 -0.499 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)c3cnsn3)[C@H]2C1 1113931730 JGJIYUYSYKUYJJ-IUCAKERBSA-N 307.379 -0.500 30 20 DBED C=CCC[C@H](C)N1C[C@H]2C(NC(=O)Cn3ncn(C)c3=O)[C@@H]2C1 1114493949 PSUPCNCTKZMHCN-YNEHKIRRSA-N 319.409 -0.017 30 20 DBED N#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)C3CC4(CC4)C3)[C@H]2C1 1114819977 YDIZGZRVDWFXOV-IMRBUKKESA-N 302.378 -0.137 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)CCN(C)CCC)[C@H]2C1 1115152044 QRGNXBYIILRUFR-KBPBESRZSA-N 320.437 -0.486 30 20 DBED N#CCNC(=O)CNC(=O)C(=O)Nc1ccc2ncsc2c1 1117417135 VDSCEVUEXXKOQO-UHFFFAOYSA-N 317.330 -0.009 30 20 DBED N#CC1CCC(CNC(=O)C(=O)NC[C@H]2COCCN2)CC1 1118920485 ZHXVHOXASHMOLT-BPCQOVAHSA-N 308.382 -0.463 30 20 DBED Cc1ocnc1C(=O)NC[C@@H](CO)Nc1cncc(C#N)n1 1121164919 HVKVLRQIEARFID-JTQLQIEISA-N 302.294 -0.153 30 20 DBED Cc1ocnc1C(=O)NC[C@H](CO)Nc1cncc(C#N)n1 1121164920 HVKVLRQIEARFID-SNVBAGLBSA-N 302.294 -0.153 30 20 DBED Cc1ncc(C(=O)NC[C@@H](CO)Nc2cncc(C#N)n2)[nH]1 1121235163 LEWZPPCKBZZYFQ-JTQLQIEISA-N 301.310 -0.417 30 20 DBED C=CCn1c(CCO)nnc1N1CCO[C@H](CC(=O)OC)C1 1121715181 SKQZFFMUOHJNJM-LLVKDONJSA-N 310.354 -0.233 30 20 DBED CN1CC[C@@H](CC(=O)NC[C@@H](CO)Nc2cnc(C#N)cn2)C1 1121807833 YXHXMDNLVIFYQG-AAEUAGOBSA-N 318.381 -0.421 30 20 DBED C[C@]1(C(=O)NC[C@@H](CO)Nc2nccnc2C#N)CCOC1 1121914990 VWRHALVZIXTCKW-HZMBPMFUSA-N 305.338 -0.336 30 20 DBED Cc1cc(=N[C@H](CO)CNC(=O)c2ccncn2)c(C#N)c[nH]1 1121949435 PFSNGGGPWDXRKI-LBPRGKRZSA-N 312.333 -0.324 30 20 DBED N#Cc1nc(=N[C@H](CO)CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)cc[nH]1 1122635612 JVGMRYXZKFMYOT-QCNOEVLYSA-N 317.349 -0.773 30 20 DBED CCNC(=O)CC(=O)N(C)C[C@@H](O)CNc1ncccc1C#N 1124315020 OJNCAAAZKNGEFD-LBPRGKRZSA-N 319.365 -0.289 30 20 DBED C#CCCCC(=O)NCCNCc1nc(CC(=O)NC)no1 1126344465 YKKLEFHHZBEJGL-UHFFFAOYSA-N 307.354 -0.633 30 20 DBED C#CCO[C@@H](C)C(=O)NCCNCC(=O)NC[C@@H]1CCCO1 1127047137 YMSDJIJJOHKCOK-STQMWFEESA-N 311.382 -0.974 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CN2CCC1CC2 1127481264 QRTRPYRTWLHVJJ-OCCSQVGLSA-N 306.410 -0.828 30 20 DBED C#CCNCc1ccncc1O[C@H]1CCN(C(=O)CC(N)=O)C1 1127882926 DOCWNVRJEBYVDS-ZDUSSCGKSA-N 316.361 -0.341 30 20 DBED CCC(=O)NCC(=O)NCc1cnn2c1CN(CC#N)CC2 1128263610 DOBOQHNUTWXDBN-UHFFFAOYSA-N 304.354 -0.635 30 20 DBED CC(C)(C)C#CC(=O)NCc1cnn2c1CN(CC(N)=O)CC2 1128350876 LBTNIXOYOXPRLE-UHFFFAOYSA-N 317.393 -0.150 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)CC)C[C@@H]1n1ccnn1 1129496133 GOJVDRNPUAAYII-NEPJUHHUSA-N 306.370 -0.668 30 20 DBED C=CCN[C@@H]1CN(C(=O)[C@H](C)OCCOC)C[C@@H]1n1ccnn1 1130026241 IAAWLJUDCLAZOL-MJBXVCDLSA-N 323.397 -0.143 30 20 DBED C=CCN[C@@H]1CN(C(=O)CC(=O)N(C)C)C[C@H]1c1cn(C)cn1 1130689759 JYIWGVUWCOWNRO-GXTWGEPZSA-N 319.409 -0.032 30 20 DBED CC#CCN1CCOC[C@H]1c1n[nH]c(CNC(=O)COC)n1 1130822635 KEJAHHVYYXKLGI-NSHDSACASA-N 307.354 -0.536 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)CNC(=O)CCC)CC1 1131331208 BHQZVYMBXLJJCR-UHFFFAOYSA-N 324.425 -0.261 30 20 DBED C[C@@H]1CC[C@H](NC(=O)Cc2cnc[nH]2)CN1CC(=O)NCC#N 1132321948 MLJVAWHOOAEOHZ-NEPJUHHUSA-N 318.381 -0.439 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1c[nH]nc1[C@@H]1CCCO1 1132779912 MLJTXOCBUCHJEE-LBPRGKRZSA-N 321.381 -0.117 30 20 DBED CC#CCN[C@H](C)C[C@H](C)NC(=O)CCn1ncn(C)c1=O 1135072008 XLGFHCAWZRNKOM-OLZOCXBDSA-N 307.398 -0.132 30 20 DBED Cc1nonc1C(=O)N[C@H](C)C[C@H](C)NCC(=O)NCC#N 1146743304 BEFBOQOKBHDWQG-DTWKUNHWSA-N 308.342 -0.496 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@@H]1CCc2n[nH]cc2C1 1147671547 OLWCGMVMYFXEKW-LLVKDONJSA-N 305.382 -0.477 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)CN(C)c1ccccc1 1153324468 KOYNUKBKUXBLNA-AWEZNQCLSA-N 316.405 -0.034 30 20 DBED C=CCOCC(=O)NCCCN[C@H](C)C(=O)NC(=O)NCC 1155725358 OMNVUHNMMYMSLE-LLVKDONJSA-N 314.386 -0.481 30 20 DBED C#CCNC(=O)CC(=O)NCCCNC[C@H]1CCNC(=O)CC1 1156847786 HLXYFHXQXBXONA-CYBMUJFWSA-N 322.409 -0.862 30 20 DBED C#CCO[C@H](C)C(=O)NCCCNCc1ncnn1CCF 1157869433 LXSSBHSOCSFLDM-GFCCVEGCSA-N 311.361 -0.118 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@@H]1CCCN1C(C)C 1157887416 VHAQWEUAGKQOQW-AWEZNQCLSA-N 308.426 -0.296 30 20 DBED C#CCNC(=O)CNCCCNC(=O)Cc1ncccc1F 1164582243 NACYBKZUTVPTPU-UHFFFAOYSA-N 306.341 -0.392 30 20 DBED C#CCCN1CCO[C@@H]2CCN(C(=O)C(=O)NCC3CC3)C[C@@H]21 1177124980 LXEYAONJLUNDFK-LSDHHAIUSA-N 319.405 -0.162 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)[C@]2(CC)CCNC2=O)C1 1183389132 AGDXDWLBLZHYMZ-MLGOLLRUSA-N 322.409 -0.605 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)CC(=O)NC)CC12CCOCC2 1186356644 NOJQCTRJZGMTBZ-CQSZACIVSA-N 321.421 -0.009 30 20 DBED CC(C)C#CC(=O)N1C[C@H](CNCC(N)=O)C2(CCOCC2)C1 1186381986 NIZXQJCFXWJZDJ-AWEZNQCLSA-N 321.421 -0.024 30 20 DBED N#CCNC(=O)CN1C[C@@H]2CCN(C(=O)C[C@H]3CCCO3)[C@@H]2C1 1186960378 ZTFWTDIJEMNGSY-BFHYXJOUSA-N 320.393 -0.272 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)C(C)(C)c2cnc[nH]2)C1 1187090532 BHYSLEKORVCPOC-GFCCVEGCSA-N 317.393 -0.373 30 20 DBED C#CCOCCC(=O)N1CC[C@H](N(C)[C@H](C)c2nnnn2C)C1 1190129283 SIAYNFONOOXVSP-OLZOCXBDSA-N 320.397 -0.156 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)CCSCC)C1 1191306844 CIADDTVZFKCQFB-VXGBXAGGSA-N 315.439 -0.407 30 20 DBED CN(CC(=O)NCC#N)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 1192445282 LGCKLCCCUBZBLI-SYQHCUMBSA-N 320.393 -0.274 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2ncc(CC)o2)C[C@H]1O 1192844313 OZLZKSLHAJHOOL-IACUBPJLSA-N 321.377 -0.063 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)[C@H]2CCN(C)C2)C1 1194001993 MFNOOOLQTFVQFT-KBPBESRZSA-N 306.410 -0.780 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC23CC3)C1 1194062909 CRQRIENRBOLZRY-MGPQQGTHSA-N 319.405 -0.523 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)C[C@@H]2CCNC2=O)CC1 1196155631 PUECNBCGNDCSIF-ZDUSSCGKSA-N 322.409 -0.651 30 20 DBED CCn1cc(C(=O)N[C@@H]2CN(CC#CCOC)C[C@H]2O)c(C)n1 1196474993 OOGYDLVMQUKOGC-HUUCEWRRSA-N 320.393 -0.364 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(CCC[C@@H](C)O)C[C@H]2O)nc1 1197926760 WHVOCDVHQRLIAF-DAXOMENPSA-N 317.389 -0.001 30 20 DBED C#CCNC[C@H]1CN(C(=O)c2ncc(OC)cn2)CCCO1 1200937829 OYCOECQUZVRYAW-ZDUSSCGKSA-N 304.350 -0.061 30 20 DBED C=CCNC[C@@H]1CN(C(=O)Cn2nc(C)ccc2=O)CCCO1 1201909555 YPJICWZKYFQMDC-CQSZACIVSA-N 320.393 -0.055 30 20 DBED COCC#CCNCC1CCN(C(=O)[C@@H]2CN(C)CCO2)CC1 1204876402 VLQKXHIAUIFIQJ-INIZCTEOSA-N 323.437 -0.205 30 20 DBED CC1(C)C(=O)NC(=O)N1CC(=O)N1CCC(CNCC#N)CC1 1206778155 NSXRZNYERPCDQZ-UHFFFAOYSA-N 321.381 -0.331 30 20 DBED C#CCNCC1CCN(C(=O)CS(=O)(=O)N(C)C)CC1 1206904611 CTVFOSLVLLPJLK-UHFFFAOYSA-N 301.412 -0.661 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCCN(C(=O)c2cn(C)cn2)C1 1207806216 BQAPSQHKXOLGFH-STQMWFEESA-N 317.393 -0.248 30 20 DBED CC(C)C#CC(=O)N1CCC[C@@H](NCCNS(C)(=O)=O)C1 1208009357 YFPSHBJCZDGCEA-CYBMUJFWSA-N 315.439 -0.224 30 20 DBED C=CCOCCN1C[C@@H](NC(=O)c2cn(CC)nn2)[C@H](OC)C1 1213642165 BLXNAJMABBLYBW-TZMCWYRMSA-N 323.397 -0.070 30 20 DBED C#CCOCCC(=O)N1C[C@@H](NCc2nncn2C)[C@H](C)C1 1214606796 QETVNANADLULHU-CHWSQXEVSA-N 305.382 -0.209 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)c2cccc(O)n2)C1 1219416334 XOMONSSAWAGZOH-OLZOCXBDSA-N 307.350 -0.235 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(CCC(F)(F)F)C[C@@H]1O 1219487538 WKNOFQFVTALCBX-ZJUUUORDSA-N 321.299 -0.760 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)c2ccns2)C1 1219719060 ZLRWXAQANWCCKJ-MXWKQRLJSA-N 322.390 -0.944 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)CCCC(C)C)C1 1220403748 DFCOALBKSNCDDV-KGLIPLIRSA-N 309.410 -0.277 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)CS(=O)(=O)CCCC)C1 1221105503 MHAFPCPLFOMHAH-OLZOCXBDSA-N 318.439 -0.061 30 20 DBED Cc1cccc(C)c1NC(=O)C(=O)N[C@@H]1CN(CC#N)C[C@@H]1O 1221195050 MRUHDFLJWSQBLZ-OLZOCXBDSA-N 316.361 -0.073 30 20 DBED C=CCNC(=O)CN1CC[C@@H]2CN(C(=O)CCCC(N)=O)[C@@H]2C1 1222108500 PRQJOUUJHPQWJA-CHWSQXEVSA-N 322.409 -0.523 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C1=CCOCC1 1225820268 ZCLDWQMLVNLHSZ-ZIAGYGMSSA-N 320.393 -0.010 30 20 DBED C[C@H]1CN(C(=O)CN2CCC(NC(=O)[C@H](C)C#N)CC2)CCO1 1226640371 MUMSDQGZLJUMGN-OLZOCXBDSA-N 322.409 -0.026 30 20 DBED C#CCOCCC(=O)NC1CCN(Cc2nnn(C)n2)CC1 1227332044 HSOXNGTVMDQGLB-UHFFFAOYSA-N 306.370 -0.669 30 20 DBED COCC#CCN1CCC(NC(=O)c2ccc(C(N)=O)[nH]2)CC1 1229209987 YEUWRQJJSIZNDA-UHFFFAOYSA-N 318.377 -0.042 30 20 DBED C#CCN[C@@H]1CCCC[C@H]1NC(=O)CS(=O)(=O)N(C)C 1229987357 PNPOIZQGFAGUKT-VXGBXAGGSA-N 301.412 -0.472 30 20 DBED CC#CCN1CCS(=O)(=O)[C@@H](CCNC(=O)c2cn[nH]c2)C1 1230425306 IHIGIIUBHKAETQ-ZDUSSCGKSA-N 324.406 -0.348 30 20 DBED C#CCN1CCS(=O)(=O)[C@@H](CCNC(=O)[C@H](C)COC)C1 1230435933 KHCIBLOSEORAIZ-OLZOCXBDSA-N 316.423 -0.493 30 20 DBED CN(C)CCN(C)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1252503806 WASRJVYXCUZZBY-SEYXRHQNSA-N 309.370 -0.284 30 20 DBED N#CCCn1ccc(NC(=O)C(=O)N2CCC3(C2)OCCO3)n1 1254130854 RUTWTONDVDBMGS-UHFFFAOYSA-N 319.321 -0.289 30 20 DBED CC#CC[C@H](CO)NC(=O)C(=O)Nc1ncn(C(C)(C)C)n1 1261461937 CGSCUXSXXQYJKF-SNVBAGLBSA-N 307.354 -0.138 30 20 DBED C=C[C@H](COC)NC(=O)c1cnc2c(c1)c(O)nc(=O)n2C 1321270720 JBFHEDVNCLREFZ-SECBINFHSA-N 304.306 -0.035 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N(C)Cc1ccoc1 1324422596 IVLXDLRUTRZYQQ-UHFFFAOYSA-N 314.363 -0.045 30 20 DBED CC#CCNC(=O)C(=O)Nc1ccc(OC)c(OCC(N)=O)c1 1326089681 KIURKMKCERMOOW-UHFFFAOYSA-N 319.317 -0.363 30 20 DBED C#CCSCCNC(=O)C(=O)N(C[C@H](C)O)[C@@H](C)CO 1326868900 FDSQYZRWJJSAGV-QWRGUYRKSA-N 302.396 -0.941 30 20 DBED COCC#CC(=O)NCc1ccc(OC)c(S(N)(=O)=O)c1 1328385204 VVCZWISNDTVVQW-UHFFFAOYSA-N 312.347 -0.391 30 20 DBED C=C(C)CN(C)C(=O)C(=O)N1CC[C@@H](CS(C)(=O)=O)C1 1328562922 XPCRKHOJMOTZQJ-LLVKDONJSA-N 302.396 -0.086 30 20 DBED C=CCC1(O)CCN(C(=O)C(=O)N(CC)[C@H]2CCNC2=O)CC1 1334991696 CSFOICKWXUHGBS-LBPRGKRZSA-N 323.393 -0.347 30 20 DBED N#CC[C@@H]1CCCN(C(=O)C(=O)N2CCOC[C@@H]2CCO)C1 1335185624 CHGLFHVZWCEYTK-STQMWFEESA-N 309.366 -0.252 30 20 DBED C=C[C@@H](COC)NC(=O)N1CCC2(CC1)NC(=O)N(C)C2=O 1338169388 YFFQJPMKTXBYJW-JTQLQIEISA-N 310.354 -0.087 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N[C@@H](C)[C@@H](C)N1CCOCC1 1347010587 AJTJJADJRYGIBN-YNEHKIRRSA-N 313.398 -0.471 30 20 DBED N#Cc1cc(Br)ccc1C(=O)NC[C@H](O)C(N)=O 1362621109 MIMHTRQOJFXKGE-VIFPVBQESA-N 312.123 -0.103 30 20 DBED Cn1c(C#N)ccc1C(=O)NCC1(O)CCS(=O)(=O)CC1 1362655393 OPFWYJBLIJOTGP-UHFFFAOYSA-N 311.363 -0.434 30 20 DBED N#Cc1cn(CCC(=O)N2CCC[C@@H](CO)CC2)c(=O)nc1O 1362660337 ZCNYEAPBZLKPMY-LLVKDONJSA-N 320.349 -0.168 30 20 DBED CC(C)(C)OC(=O)C1=NO[C@H](C(=O)N2CC(O)(CC#N)C2)C1 1362960241 XFIKUZNVCDEXII-JTQLQIEISA-N 309.322 -0.040 30 20 DBED N#Cc1ncn(CC(=O)N[C@H]2CCOC3(CCOCC3)C2)n1 1363451562 HVDHLTZAEXHRGQ-NSHDSACASA-N 305.338 -0.006 30 20 DBED N#Cc1cn(CCNC(=O)NC[C@@H]2CCC=CO2)c(=O)nc1O 1365578669 YIOMZBRULZCAQY-NSHDSACASA-N 319.321 -0.188 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CN(C)C(=O)CCN1CCCCC1 1383004057 SCTYTBYBEIFUBI-ZIAGYGMSSA-N 324.425 -0.042 30 20 DBED COc1nn(C)cc1C(=O)N1CC[C@@H](NC(=O)[C@H](C)C#N)C1 1396761455 LOTLXKIQHJZAMR-NXEZZACHSA-N 305.338 -0.081 30 20 DBED CCO[C@H](C)C(=O)NC[C@H](O)CNC(=O)c1ccc(C#N)[nH]1 1399788482 KOZFKQNJZJRSCH-KOLCDFICSA-N 308.338 -0.482 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(CC1)C[C@@H]2NC(=O)CCNC(N)=O 1427832104 WXUPBWSJRKVGON-QWRGUYRKSA-N 321.381 -0.298 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)[C@H](C)CN2CCOCC2)C1 1430155023 SCOOTRCIMDMHSR-AAVRWANBSA-N 322.409 -0.122 30 20 DBED C[C@@H](CNC(=O)CNC(=O)N1CCCC1)CNC(=O)[C@H](C)C#N 1432967802 CZNZLXJHNTYNSA-NWDGAFQWSA-N 323.397 -0.180 30 20 DBED CCn1cc(C(=O)N(C)C[C@@H](O)CNC(=O)[C@@H](C)C#N)nn1 1444735986 JGPCHFYGQSKCLS-UWVGGRQHSA-N 308.342 -0.993 30 20 DBED C[C@@H]1CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)C[C@H]1CO 1470415547 CEIKTJMCUPYIBK-PWSUYJOCSA-N 320.349 -0.312 30 20 DBED Cc1nonc1CC(=O)NCCN(C)c1cncc(C#N)n1 1487404825 YJEGTWGVQWKERK-UHFFFAOYSA-N 301.310 -0.165 30 20 DBED CCOc1ncccc1C(=O)NC[C@H](O)CNC(=O)[C@H](C)C#N 1501605469 MNYHBTDHKQZYRM-GHMZBOCLSA-N 320.349 -0.153 30 20 DBED C#CCN1CCN(c2nnc(CCO)n2C[C@H]2CCOC2)CC1 1516280971 DCQFXTHJQZGJHL-CQSZACIVSA-N 319.409 -0.395 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@H](NC(=O)CNC(=O)O)C(C)C 1573348638 YRLUZKJWYCBMNR-IINYFYTJSA-N 315.370 -0.162 30 20 DBED C#CCCCC(=O)N[C@@H]1CCN(CCc2cnn[nH]2)C[C@H]1O 1574866833 LKQBAWHKLVTCEG-ZIAGYGMSSA-N 305.382 -0.298 30 20 DBED C#C[C@H](NC(=O)[C@@H]1CCCN(CC(=O)O)C1=O)[C@H]1CCCO1 1588387626 LCTVJMBINOEKQZ-SDDRHHMPSA-N 308.334 -0.393 30 20 DBED C#CCN1CCN(C(=O)CN2CCC[C@@](C)(C(=O)O)C2)CC1 1588476805 GWDTZYZOOOVSAC-MRXNPFEDSA-N 307.394 -0.050 30 20 DBED C=CCC1(O)CN(C(=O)Cc2noc(C)c2-c2nn[nH]n2)C1 1588558590 ARNPSVLMBDYDJR-UHFFFAOYSA-N 304.310 -0.145 30 20 DBED N#Cc1cnn(CCOC(=O)c2ccc(-c3nn[nH]n3)o2)c1N 1592703846 DJVPHYLKVWASTL-UHFFFAOYSA-N 314.265 -0.033 30 20 DBED N#CC1(C(=O)O)CCN(C(=O)NCCN2C(=O)CCC2=O)CC1 1601051588 CSKIXSLJHKQKTO-UHFFFAOYSA-N 322.321 -0.465 30 20 DBED CC(C)(C#N)CS(=O)(=O)NC(=O)[C@H]1CC[C@@H](C(=O)O)O1 1603230716 WOLITSHKLYRJHG-SFYZADRCSA-N 304.324 -0.386 30 20 DBED CC1(C#N)CCN(C(=O)C(=O)N2C[C@@H](O)C[C@@H](C(=O)O)C2)CC1 1604482035 DKEFADPBNWZBRW-MNOVXSKESA-N 323.349 -0.567 30 20 DBED N#Cc1ccc(C(=O)NCC2(NC(=O)[C@@H]3C[C@H]3C(=O)O)CC2)[nH]1 1608201062 VLGBPNOHITXDQP-NXEZZACHSA-N 316.317 -0.014 30 20 DBED N#Cc1ccnc(N2CCN(C(=O)[C@@H](N)CCC(=O)O)CC2)c1 1610633770 XSSAURSTBSVMSC-LBPRGKRZSA-N 317.349 -0.206 30 20 DBED C#CCCCC(=O)N1CC[C@H](NC(=O)Cn2ncnn2)[C@H]1C 1736267924 QYJMHGUAZVYACY-NEPJUHHUSA-N 304.354 -0.418 30 20 DBED C#CCNC(=O)CN(C)CCCNC(=O)[C@@H](C)[C@@H]1CCC(=O)N1 1752071227 UNNRCMMGMSWREQ-STQMWFEESA-N 322.409 -0.911 30 20 DBED COCC#CCN1CCC2(CC1)C[C@H]2NC(=O)[C@@H]1CCC(=O)N1 1752435783 SAVKXHFZAVWGKF-UONOGXRCSA-N 319.405 -0.115 30 20 DBED C=CCNC(=O)CN[C@H]1C[C@H](NC(=O)c2cn(C)nc2C)C1 1752622046 LHYKYFBPQXLTML-HAQNSBGRSA-N 305.382 -0.119 30 20 DBED N#CCNC(=O)CN[C@H]1C[C@H](NC(=O)c2cc(C3CC3)[nH]n2)C1 1752664899 CNPUTDMECIRPPH-XYPYZODXSA-N 316.365 -0.223 30 20 DBED C=CCNC(=O)[C@H](C)N[C@H]1C[C@@H](NC(=O)c2ccc(O)nn2)C1 1752712230 JZQKWJBHURCNIX-GARJFASQSA-N 319.365 -0.277 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H](C)CNC(=O)c1cnc2n1CCC2 1752879165 UZDXZRIPUOQGFY-VXGBXAGGSA-N 317.393 -0.325 30 20 DBED C#CCNC(=O)CN[C@@H](C)CNC(=O)c1cnc2ccccn12 1752881919 KPJCGNUUDLTGME-LBPRGKRZSA-N 313.361 -0.208 30 20 DBED C#CCNC(=O)CN1CC(CNC(=O)C[C@H]2CCN(C)C2)C1 1753414094 ZCUYETAMLFVEMG-CYBMUJFWSA-N 306.410 -0.874 30 20 DBED CCC[C@H](C(=O)N(C)[C@H]1CCN(CC#N)C1)S(N)(=O)=O 1753443597 ZTGSLSHGHJHQFZ-WDEREUQCSA-N 302.400 -0.500 30 20 DBED CC(C)NC(=O)CN(C)CC(=O)NC1(CNCC#N)CCCC1 1753504727 DNUASZVBEGYPIA-UHFFFAOYSA-N 323.441 -0.015 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(Cc2nnn(C)n2)CCO1 1753649995 KTPXULGBLHNGJN-LBPRGKRZSA-N 306.370 -0.669 30 20 DBED C[C@H](CS(C)(=O)=O)C(=O)NC[C@H]1CN(CC#N)CCO1 1753658288 OTKPOHPEPWXJIF-MNOVXSKESA-N 303.384 -0.992 30 20 DBED C#CCNC(=O)CN[C@@H](CNC(=O)c1cncnc1)C(C)C 1753830124 URZONVAJYFVXBM-ZDUSSCGKSA-N 303.366 -0.430 30 20 DBED C#CCNC[C@H]1CCC[C@H]1NC(=O)CCCN1C(=O)CNC1=O 1753902065 OJCGKTJAGSYMIS-CHWSQXEVSA-N 320.393 -0.174 30 20 DBED C#CCNC(=O)CNCCN(CC)C(=O)C1(C)CCOCC1 1754072848 OSJPEDYTQGQASR-UHFFFAOYSA-N 309.410 -0.009 30 20 DBED C=CCNC(=O)[C@@H](C)NC[C@H](C)NC(=O)c1c[nH]c(=O)cn1 1754281048 VDGFXMGAGGLKLO-VHSXEESVSA-N 307.354 -0.832 30 20 DBED CNC(=O)[C@H](C)NC1CCN(CCNC(=O)C#CC2CC2)CC1 1754848437 GIEPPSBPKOBZAF-ZDUSSCGKSA-N 320.437 -0.296 30 20 DBED C[C@H]1C[C@@H](NC(=O)C2=COCCO2)CCN1CC(=O)NCC#N 1755157367 HNEQQUPTAHPEPO-RYUDHWBXSA-N 322.365 -0.517 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(CC(=O)NCC)CC1(C)C 1755407879 OSIKXLYKMVXUNX-CYBMUJFWSA-N 309.410 -0.011 30 20 DBED C#CCNC(=O)CN1CCCC2(C1)CN(C(=O)CCN(C)C)C2 1755457350 NEKWLVTYRCPNST-UHFFFAOYSA-N 320.437 -0.388 30 20 DBED C=C(Br)CNCCCOCCNC(=O)C(N)=O 1755553667 LHJVHKMGDYKCEH-UHFFFAOYSA-N 308.176 -0.507 30 20 DBED CC#CCN[C@H]1CCN(C(=O)CN(C)S(C)(=O)=O)[C@@H]1C 1755653974 JFDDHBJEKIYXEY-NEPJUHHUSA-N 301.412 -0.520 30 20 DBED C=C(C)CCC(=O)NC1(CCO)CN(C(=O)CNC(N)=O)C1 1756083043 KZGBIODWNKFPPG-UHFFFAOYSA-N 312.370 -0.909 30 20 DBED C=CCOCC(=O)N1CC(CCO)(NC(=O)c2nc(C)c[nH]2)C1 1756083111 OTGUYEQOHRVISZ-UHFFFAOYSA-N 322.365 -0.386 30 20 DBED C[C@@H](C#N)C(=O)NCCOCCN(C)C(=O)[C@@H]1CCC(=O)NC1 1756381759 OFVAYLOCJCEVSH-NWDGAFQWSA-N 324.381 -0.737 30 20 DBED C=CC(C)(C)CC(=O)NC[C@H](CO)NC(=O)CNC(=O)OC 1756524162 RKXJVBVEXQMSFB-SNVBAGLBSA-N 315.370 -0.462 30 20 DBED CC#CCCCC(=O)N[C@@H]1CN(C(=O)[C@H]2CCOC2)C[C@@H]1O 1757201581 NXTYCAIDFDGILM-MJBXVCDLSA-N 308.378 -0.096 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@H](NC(=O)[C@]2(C)CCC(=O)NC2)C1 1757202666 BWXGXSNNICLCTP-BFQNTYOBSA-N 323.393 -0.443 30 20 DBED C#CCCCC(=O)N1CC[C@@H]1CN(C)C(=O)[C@H]1C[C@H]1C(N)=O 1757308496 QAGUTOSXZLGOBP-UPJWGTAASA-N 305.378 -0.029 30 20 DBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)CCN(C)C)C2)C1 1839807303 YXHFLGLBDOUKGJ-MRXNPFEDSA-N 323.393 -0.972 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)N2CCC[C@@H]2C(N)=O)cc1 123350893 RQQFXZPXUIVZCE-GFCCVEGCSA-N 300.318 -0.236 30 20 DBED N#Cc1ccc(NC(=O)CN2CCN(C(=O)CO)CC2)cc1 152294466 VKOBUJNSBKFBCC-UHFFFAOYSA-N 302.334 -0.367 30 20 DBED C=CC[C@H](C)NC(=O)N1CCN(CCS(N)(=O)=O)CC1 195509261 WIXXBYYBDIUJMO-NSHDSACASA-N 304.416 -0.433 30 20 DBED C[C@@H]1CN/C(=N/CCC(=O)N2CCN(c3ncccn3)CC2)N1 262677883 URVITRQDROXEKC-GFCCVEGCSA-N 317.397 -0.547 30 20 DBED C#CCNS(=O)(=O)c1cccc(C(=O)NC2(C(=O)O)CC2)c1 263174201 SKOLVBNUMHACQB-UHFFFAOYSA-N 322.342 -0.055 30 20 DBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](C)C(N)=O 268755794 XMVRMPBCLYKYTE-BDAKNGLRSA-N 324.362 -0.785 30 20 DBED CCOC(=O)CO/N=C(/C(=O)N1CCC[C@@H]1CO)c1cc[nH]n1 276520433 CLCHNQCDJFVSIB-VFDYIDLISA-N 324.337 -0.323 30 20 DBED C=CCN1CC[C@@H](N(C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1=O 281222135 DUYVEXFNKTXQFC-QWHCGFSZSA-N 323.353 -0.129 30 20 DBED CN1CCN(C(=O)CC/N=C(/O)N2C[C@H]3[C@@H](O)CC[C@H]3C2)CC1 329760957 QVYGDGSCOOXKMS-MJBXVCDLSA-N 324.425 -0.233 30 20 DBED COC(=O)CCN(C(C)C)S(=O)(=O)N1CCO[C@H](C#N)C1 337081019 XYJXNWWMOJEAJS-LLVKDONJSA-N 319.383 -0.271 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCS(=O)(=O)C[C@@H]1C 337081427 YKLFOWKBJHPMGI-QWRGUYRKSA-N 323.440 -0.168 30 20 DBED C=CCOC[C@@H](NS(=O)(=O)N(C)[C@H](C)CC#N)C(=O)OC 337787480 YFGDNWITSFCROZ-GHMZBOCLSA-N 319.383 -0.201 30 20 DBED CN(CCC#N)S(=O)(=O)N(C1CC1)[C@H]1CCS(=O)(=O)C1 340851704 DZYUUJIOHMDZDG-NSHDSACASA-N 321.424 -0.272 30 20 DBED CNC(=O)[C@H](C)NC(=O)C(=O)Nc1cc(C#N)ccc1OC 341964509 JATLECYYIVTIQX-QMMMGPOBSA-N 304.306 -0.244 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H](C)[C@H]2CO)C1=O 349487913 PAFLGHRBXBJLBJ-WDEREUQCSA-N 323.349 -0.417 30 20 DBED CC[C@@](C)(C#N)C(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 352983552 IOSUONNGFZNUMA-CJNGLKHVSA-N 322.409 -0.024 30 20 DBED COC[C@H](CO)NC(=O)C(=O)Nc1cc(C#N)ccc1OC 354763510 FSZGEZFEZZMBBM-JTQLQIEISA-N 307.306 -0.371 30 20 DBED CC(C)(C)NC(=O)N1CCN(C(=O)NCC(=O)NCC#N)CC1 358285443 ZWFQNMXHVMDANC-UHFFFAOYSA-N 324.385 -0.539 30 20 DBED COC(=O)[C@@H]1C[C@H](OC)CN1CC(=O)N(CCC#N)CCC#N 371660621 RMJZMGLBLBLPRA-STQMWFEESA-N 322.365 -0.095 30 20 DBED CNS(=O)(=O)[C@H]1CCN(c2ncc([N+](=O)[O-])cc2C#N)C1 378238040 SCVTYMWZLCHBRY-JTQLQIEISA-N 311.323 -0.011 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N1CCS(=O)(=O)[C@H](C)[C@H]1C 407974119 CDKKGBJFFHJANJ-GMTAPVOTSA-N 323.440 -0.027 30 20 DBED CNS(=O)(=O)c1cc(C(=O)N2CCO[C@@H](C#N)C2)c(C)o1 408392423 CFKPNAAKWXHHPW-VIFPVBQESA-N 313.335 -0.139 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N1C[C@@H](CO)OC(C)(C)C1 422098194 BQJYBPQWAOEMTR-LBPRGKRZSA-N 314.382 -0.354 30 20 DBED COCCn1cc(S(=O)(=O)Nc2c(C#N)cnn2C)cn1 438250171 FRVZGVBQNWMMGX-UHFFFAOYSA-N 310.339 -0.065 30 20 DBED C#CCN(CC#N)C(=O)C(=NOCC(=O)OCC)c1cc[nH]n1 491021927 PEFSJMPKLDDTGT-UHFFFAOYSA-N 317.305 -0.321 30 20 DBED C#CCNC(=O)C1CCN(C(=O)CN2CSCC2=O)CC1 491048059 WSUIOTHUVDRYQS-UHFFFAOYSA-N 309.391 -0.493 30 20 DBED C#C[C@@H](CCC)NC(=O)NCCNS(=O)(=O)NC(C)C 491348222 CEHYVDVVIFGASW-NSHDSACASA-N 304.416 -0.080 30 20 DBED N#C[C@@]1(NC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)CCOC1 547490389 JNNKVPJARDZMSS-SFTUUXBHSA-N 315.329 -0.408 30 20 DBED CCOC(CN=c1nc[nH]cc1C#N)CN=c1nc[nH]cc1C#N 567583742 KAUARBBLCJKZKM-UHFFFAOYSA-N 324.348 -0.217 30 20 DBED C[C@H]1C[C@H](O)CN1C(=O)CNS(=O)(=O)c1cccc(C#N)c1 577112564 ZAIYABITYZUBJH-JQWIXIFHSA-N 323.374 -0.182 30 20 DBED N#Cc1cc(S(=O)(=O)N[C@]2(C(N)=O)CCOC2)ccc1F 594492831 BOHKFMRXWABOBY-GFCCVEGCSA-N 313.310 -0.380 30 20 DBED COCCNC(=O)CN1CCN(c2cc(C#N)cnn2)CC1 596067565 PNGFVGAPZMIEEN-UHFFFAOYSA-N 304.354 -0.767 30 20 DBED CC(C)NC(=O)C(=O)N1CCN(C[C@@H](O)CC(C)(C)C#N)CC1 598584288 GAIGZSBEULPNJD-ZDUSSCGKSA-N 324.425 -0.044 30 20 DBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)NC[C@H]1COCCN1 599942268 YLOWKRIONWJJSY-JTQLQIEISA-N 321.385 -0.574 30 20 DBED C=CCn1cc(CNC(=O)[C@@H](CCC)S(N)(=O)=O)nn1 616411286 WAJDKSUSDGSEDB-SNVBAGLBSA-N 301.372 -0.463 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)CN2CC(=O)N(C)C2=O)C1=O 626848904 JCNAUQJVHOQBQW-JTQLQIEISA-N 308.338 -0.874 30 20 DBED CC#CC[C@@H](CO)NS(=O)(=O)c1ccc2[nH]c(=O)cnc2c1 645884934 XAQAJYIICNFMCI-JTQLQIEISA-N 321.358 -0.024 30 20 DBED C=CCN(CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)[C@@H](C)COC 661242127 HGJHCWDRVQPLQP-JTQLQIEISA-N 324.381 -0.628 30 20 DBED CCNS(=O)(=O)CCNC(=O)Nc1nn(C)cc1C#N 750613083 DEJNVGKJDUKPKO-UHFFFAOYSA-N 300.344 -0.647 30 20 DBED Cn1cc(S(=O)(=O)NN=CCC(C)(C)C)c(=O)n(C)c1=O 755803084 DNJNKDHKKFLRHG-UHFFFAOYSA-N 316.383 -0.216 30 20 DBED C#CCNS(=O)(=O)N1CCN([C@H](C)C(=O)OCC)CC1 761023131 DWAKFOXIWNQNKA-LLVKDONJSA-N 303.384 -0.977 30 20 DBED CCN(CCC#N)C(=O)COC(=O)CCS(=O)(=O)N(C)C 772278453 QXDPECAGZDMRBE-UHFFFAOYSA-N 319.383 -0.427 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)c1cc(C(=O)OC)no1 781277288 RLMOTDJNINSXJC-UHFFFAOYSA-N 311.250 -0.370 30 20 DBED N#Cc1cnn2c(O)cc(COC(=O)[C@H]3CCNC(=O)C3)nc12 784138520 PXGUNYFUYJFBBW-QMMMGPOBSA-N 315.289 -0.124 30 20 DBED N#CCCNC(=O)COC(=O)[C@@H]1COCCN1CC(F)F 786962494 WWGMHIXTMHKYJX-VIFPVBQESA-N 305.281 -0.475 30 20 DBED CS(=O)(=O)N1CCN(CC(=O)OCC2(C#N)CC2)CC1 802991967 BXKOUFZICZRGLV-UHFFFAOYSA-N 301.368 -0.589 30 20 DBED NS(=O)(=O)c1ccc(C=NN2CC(=O)NC2=O)cc1Cl 807959893 FCZIQTRSXMBBSS-UHFFFAOYSA-N 316.726 -0.127 30 20 DBED C=CCS(=O)(=O)NC(=O)CN(C)C(=O)[C@H](C)n1cccn1 815996542 ILICFABJRGLWPC-JTQLQIEISA-N 314.367 -0.466 30 20 DBED CC(C)(C(=O)N[C@H]1CCCN(O)C1=O)S(=O)(=O)C1CC1 820483012 WJRWTFCSQACBTD-VIFPVBQESA-N 304.368 -0.161 30 20 DBED CON=CC(=O)N1CCN(C[C@H]2CCCS2(=O)=O)CC1 824495508 LMKSXRPEWJRXLZ-LLVKDONJSA-N 303.384 -0.660 30 20 DBED C#C[C@@H](NC(=O)C(F)(F)C(=O)N1CCOCC1)[C@@H]1CCCO1 836209307 YAVPJTXLASYZLQ-MNOVXSKESA-N 316.304 -0.223 30 20 DBED C#CCNC(=O)CS[C@@H](C)C(=O)NCC(=O)OC(C)C 840210560 BUWQWZKUIHHKTF-JTQLQIEISA-N 300.380 -0.075 30 20 DBED C#CCCN(CCOC)CN1CC2(CCOCC2)[C@@H](O)C1=O 853621036 NRRGKYBRHBGQPF-AWEZNQCLSA-N 310.394 -0.085 30 20 DBED C#CC[C@@H](CO)NC(=O)CCNS(=O)(=O)c1cccnc1 854546331 CBACJFROOHMUNY-NSHDSACASA-N 311.363 -0.750 30 20 DBED COC(=O)CNC(=O)[C@H](C)OC(=O)c1cccc(C#CCO)c1 860078409 ISAXQPIBJUJILH-NSHDSACASA-N 319.313 -0.135 30 20 DBED CC(C)[C@H]1CNCCN1C(=O)C(=O)Nc1cnn(CC#N)c1 861510614 XDUJSQLBOAROSQ-GFCCVEGCSA-N 304.354 -0.198 30 20 DBED C#CCNCC(=O)N1CCC(C(=O)NCCCOCC)CC1 912388162 PLQBRLVWCZNDGF-UHFFFAOYSA-N 309.410 -0.009 30 20 DBED C[S@@](=O)CCN1CCN(S(=O)(=O)CC(C)(C)C#N)CC1 914236303 ROEHJKBSIJAMCC-LJQANCHMSA-N 321.468 -0.138 30 20 DBED COc1ccccc1CCNC(=O)CNC(=O)NCC#CCO 923769600 FTYAXRXWEYZKDK-UHFFFAOYSA-N 319.361 -0.351 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](NC(=O)c2ccc3nn[nH]c3n2)C1 938123647 MUSVEQFTLFUSHB-BDAKNGLRSA-N 313.321 -0.157 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CCN(C(=O)C3(C(N)=O)CC3)C2)c1 939932623 SRKFMQIHCVRARX-SNVBAGLBSA-N 315.333 -0.517 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CCN(C(=O)[C@H]3CCNC3=O)C2)c1 939934027 HMZVOKSGQDOQJX-MNOVXSKESA-N 315.333 -0.647 30 20 DBED Cn1nccc1C(=O)NC[C@@H]1CN(C(=O)C#CC2CC2)CCO1 944513399 NLCSYWOTUXJRFH-CYBMUJFWSA-N 316.361 -0.209 30 20 DBED N#Cc1ccc(C(=O)NC[C@@H]2CCCC[C@H]2NC(=O)C(N)=O)[nH]1 946427794 IXZGYNNVPNEPNP-GXSJLCMTSA-N 317.349 -0.224 30 20 DBED C=CCN1CCC[C@H](N(C)C(=O)Cn2cnc(C(N)=O)n2)CC1 948381344 LSBGDLJNAKPERX-LBPRGKRZSA-N 320.397 -0.124 30 20 DBED NC(=O)CC(=O)N1CC[C@@H]2CCN(C(=O)C#CC3CC3)[C@H]2C1 953303344 SFJNZRJRQPPDAV-OLZOCXBDSA-N 303.362 -0.275 30 20 DBED C[C@H](C#N)C(=O)N1CCC(N(C)C(=O)CN2CCOCC2)CC1 953878063 OCVTYKYAULNQEN-CYBMUJFWSA-N 322.409 -0.072 30 20 DBED C=C(Cl)CN1C[C@H](CNC(=O)C2CS(=O)(=O)C2)[C@@H](O)C1 958095793 BUFZBILAKFSOMC-ONGXEEELSA-N 322.814 -0.808 30 20 DBED CN(C(=O)C(F)F)[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1O 958374097 ULVXHMRPSGQFOW-UWVGGRQHSA-N 312.276 -0.205 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](CNC(=O)c2cccn(C)c2=O)C1 958595634 STOXLQILKVHPDT-OCCSQVGLSA-N 305.378 -0.016 30 20 DBED C#CCCN1C[C@H]2C(NC(=O)c3ccc(S(N)(=O)=O)o3)[C@@H]2C1 960774719 LXOAMCKTLCYZCL-NXEZZACHSA-N 323.374 -0.390 30 20 DBED N#Cc1ccc(C(=O)N2C[C@H](O)[C@H](NC(=O)c3cc[nH]n3)C2)[nH]1 961658196 HJKYDNSYGLQQST-NEPJUHHUSA-N 314.305 -0.775 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)/C(C)=C/C)C[C@@H]1O 968348319 ZDIXUJZBRMZGCM-HRSPRXKWSA-N 319.405 -0.262 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@H](NC(=O)[C@@H]2CCC(=O)NC2)C1 968674563 RRTGDZBYYCAPTQ-UTUOFQBUSA-N 323.393 -0.587 30 20 DBED C#CCN1CCC(C(=O)N[C@H]2CN(CC(N)=O)CC[C@H]2C)CC1 968682537 SCDJFSQZHDTUTF-HIFRSBDPSA-N 320.437 -0.357 30 20 DBED C=CCN(C)[C@@H]1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)C1 972554873 MBPZTZPQXLAUPZ-GFCCVEGCSA-N 306.366 -0.355 30 20 DBED C=CCN1C[C@@H]2C(CNC(=O)c3nccnc3C(N)=O)[C@H]2C1 979055706 IUZBOYRWNPDRCN-GHMZBOCLSA-N 301.350 -0.331 30 20 DBED C#CCCN1CCCC2(C1)CN(C(=O)CN1CC(=O)NC1=O)C2 982073407 PLSGWSINMFCPEU-UHFFFAOYSA-N 318.377 -0.514 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@H]1CCN(C(=O)C(N)=O)C1 988295903 XCMRKSCHPPDUMH-AGIUHOORSA-N 323.393 -0.240 30 20 DBED C[C@@H]1[C@@H](NC(=O)c2cnn(C)n2)CCN1C(=O)C#CC1CC1 988958590 WAXDLFYFOXABDA-PWSUYJOCSA-N 301.350 -0.052 30 20 DBED CN1CCO[C@H](C(=O)N2CC(NC(=O)c3c[nH]c(C#N)c3)C2)C1 990921635 XRCDVPUVBUFZJP-ZDUSSCGKSA-N 317.349 -0.842 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCCN(CC(=O)NC)[C@@H]2C)nn1 993947111 FRVCICOCCKQLRJ-NEPJUHHUSA-N 320.397 -0.207 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)Cc3cnc[nH]3)C2)nc1 997092480 GREDIAFVUUPOGS-UHFFFAOYSA-N 309.329 -0.031 30 20 DBED C[C@@H](C#N)C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cnn(C)n1 998379455 VPJFSTOBUCZTCK-WYFGTUCQSA-N 302.338 -0.164 30 20 DBED Cn1cnc(C(=O)NCc2cn([C@H]3CCN(CC#N)C3)nn2)n1 999991087 LEXRKQXWMLECBN-NSHDSACASA-N 315.341 -0.893 30 20 DBED C=CCCn1cc(C(=O)N2CCC[C@H](NCC(N)=O)C2)nn1 1000428242 OSBZIABUTAWRGL-NSHDSACASA-N 306.370 -0.466 30 20 DBED C[C@H](NC(=O)[C@H]1CN(C)C(=O)N1)C1CN(C(=O)C#CC2CC2)C1 1006569899 MWYVPMBVQQBCPN-GXFFZTMASA-N 318.377 -0.614 30 20 DBED CN1CC[C@@H](N2CC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)C1=O 1010461161 CJKBAXRKILWRFW-DGCLKSJQSA-N 301.350 -0.079 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCCN(C(=O)[C@@H]3COC(=O)N3)C2)C1 1010829256 CUMDDRMXQCFLFP-QWRGUYRKSA-N 320.349 -0.295 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2C(NC(=O)c3cc4n(n3)CCO4)[C@H]2C1 1013281454 UQHQLZDVAYALGK-UTLUCORTSA-N 315.333 -0.378 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H](NCc2nncn2C)C1 1020250505 GLZCJCDJTQPTQX-IHRRRGAJSA-N 316.409 -0.351 30 20 DBED CO[C@H](C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 1023428548 CSDRCTUKUVKCCW-GGZOMVNGSA-N 306.322 -0.777 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H](N(C)CCN2C(=O)CNC2=O)C1 1027330387 OSHBBEAYINEFNV-RYUDHWBXSA-N 321.381 -0.379 30 20 DBED C#CCN(C)[C@H]1CCCN(C(=O)[C@@H]2CN(C(C)=O)CCO2)C1 1027666289 CUQZOFYBNLJXRE-GJZGRUSLSA-N 307.394 -0.210 30 20 DBED COCCn1nc(C(=O)N2C[C@@H]3C[C@H]2CN3CC#N)ccc1=O 1032507443 AMYPSWPGPMCUMF-RYUDHWBXSA-N 317.349 -0.688 30 20 DBED C#CCN1CCO[C@H](CNC(=O)c2cnn3c2OCCC3)C1 1035434884 HWORPURCIZSYPE-GFCCVEGCSA-N 304.350 -0.271 30 20 DBED Cn1ncc2cc(C(=O)NC[C@H]3CN(CC#N)CCO3)cnc21 1035557418 XSWAFHZWHRRUNO-ZDUSSCGKSA-N 314.349 -0.078 30 20 DBED CC(C)C#CC(=O)NC[C@]1(O)CCN(C(=O)c2ncccn2)C1 1039665223 HLAXEOVPOXFDFK-MRXNPFEDSA-N 316.361 -0.171 30 20 DBED C#CCCCC(=O)N1CC[C@@](O)(CNC(=O)c2ccn(C)n2)C1 1039760094 HNIBABQLWZRXBO-MRXNPFEDSA-N 318.377 -0.083 30 20 DBED C[C@H]1CCN(C(=O)C(N)=O)C[C@H]1CN=c1cc[nH]cc1C#N 1039890230 YCVQJGILHJNXAM-CMPLNLGQSA-N 301.350 -0.243 30 20 DBED C=CCCC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2CCC(=O)NC2)C1 1040255379 IUISKUIRNSSUFU-WBMJQRKESA-N 323.393 -0.442 30 20 DBED C#CCCCC(=O)N1CC[C@@](O)(CNC(=O)c2cccnn2)C1 1040683354 XYAQEQIIOCMYEW-MRXNPFEDSA-N 316.361 -0.027 30 20 DBED Cc1conc1C(=O)N1CC[C@@](O)(CNC(=O)[C@@H](C)C#N)C1 1040759116 DXGNTVMZUPLEAN-LKFCYVNXSA-N 306.322 -0.164 30 20 DBED Cc1nc[nH]c1C(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1O 1041088081 UCFAACKQAIQVNC-CHWSQXEVSA-N 312.333 -0.036 30 20 DBED C#CCN1CC[C@]2(CCN(C(=O)Cn3ccc(O)nc3=O)C2)C1 1041451024 ZPOUJFAGVGCKFK-INIZCTEOSA-N 316.361 -0.494 30 20 DBED C=CCN1CC[C@H]2CCN(C(=O)CN3CC(=O)N(C)C3=O)C[C@H]21 1042311060 DXMUZWGVJMJCFG-QWHCGFSZSA-N 320.393 -0.011 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)C[C@@](C)(O)C=C)C1 1043039556 HRSYZNRAMYRZPL-WFASDCNBSA-N 324.377 -0.959 30 20 DBED C=C(C)CCC(=O)NCC1(O)CN(C(=O)Cc2nnc(C)o2)C1 1043311587 WPEBIZUDNPLCBG-UHFFFAOYSA-N 322.365 -0.034 30 20 DBED C[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)C[C@H]1Nc1ccc(C#N)cn1 1043474797 RNCLULDTEULXKN-ADEWGFFLSA-N 314.349 -0.107 30 20 DBED C=CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)COC(C)C)C1 1043571645 RCTCYTDFTWPXSN-LBPRGKRZSA-N 314.382 -0.308 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)[C@H]3CCCO3)C2)nn1 1043845274 LBHXWRVKDLHJBN-GRYCIOLGSA-N 303.322 -0.807 30 20 DBED C=CCN1CC[C@H](N2CC(N(C)C(=O)[C@H]3CCN(C)C3)C2)C1=O 1044292090 IWPDIQYNUALLRQ-ZFWWWQNUSA-N 320.437 -0.132 30 20 DBED Cc1ncc(C(=O)NCC2(O)CN(C(=O)[C@H](C)C#N)C2)c(C)n1 1044745225 ZCSKIFLBWKKKGK-SECBINFHSA-N 317.349 -0.444 30 20 DBED C=C[C@H](CC)CC(=O)NCC1(O)CN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 1045069374 UDMFRCYKGHLVKS-UTUOFQBUSA-N 323.393 -0.600 30 20 DBED COCC(C)(C)CC(=O)N1CC(O)(CNC(=O)[C@@H](C)C#N)C1 1045558778 AXUPZFLFCOTOTO-NSHDSACASA-N 311.382 -0.102 30 20 DBED Cn1nnnc1CN1CC[C@@](C)(NC(=O)c2cc(C#N)c[nH]2)C1 1046224874 VZWSJOMDISRVTL-CQSZACIVSA-N 314.353 -0.196 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)[C@H]2C[C@]23CCOC3)C1 1046574729 BPGZBDSCWDZVPO-DOMZBBRYSA-N 324.377 -0.695 30 20 DBED C#CCCCCC(=O)N1CC(O)(CNC(=O)Cc2nc[nH]n2)C1 1046897990 FMVPKOYEIXMXIO-UHFFFAOYSA-N 319.365 -0.770 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCN2C(=O)CCC)C1 1047635155 BFVXTTOEHVRCNZ-KKUMJFAQSA-N 321.421 -0.086 30 20 DBED CC#CCN1C[C@H]2CN(C(=O)[C@@H](C)N3C(=O)CCC3=O)C[C@H]2C1 1048847892 KQNIUYUGUYRFAO-MCIONIFRSA-N 317.389 -0.063 30 20 DBED CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)CN1CCNC(=O)C1 1049639262 OJBGBWKVUHOIIR-HUUCEWRRSA-N 318.421 -0.493 30 20 DBED C[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1CNC(=O)CC(N)=O 1052312318 BQNKGHYOAHYFPA-ONGXEEELSA-N 317.349 -0.414 30 20 DBED C#Cc1cncc(C(=O)N2CCOC3(CN(CCO)C3)C2)c1 1053422954 XHXYEIMAILCWIA-UHFFFAOYSA-N 301.346 -0.418 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)[C@H](C)[C@H]1CCC(=O)N1)CCO2 1053443359 VRGHSVSCEYWLNW-ZIAGYGMSSA-N 319.405 -0.162 30 20 DBED CC#CCN1CC2(CC[C@@H](CNC(=O)[C@H]3CNC(=O)N3)O2)C1 1053653951 ALQADYWGAJEWBG-NWDGAFQWSA-N 306.366 -0.959 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)c3n[nH]c4c3CCC4)CO2)C1 1053856747 PKXADDIHFQLWJZ-SNVBAGLBSA-N 301.350 -0.005 30 20 DBED C=C(C)CN1CC2(C[C@H](NC(=O)[C@H]3CN(C)C(=O)N3)CO2)C1 1053890447 AXGUGNIJGLVTRU-NWDGAFQWSA-N 308.382 -0.454 30 20 DBED C=C[C@](C)(CCOC)C(=O)N1C[C@H]2CN(C(=O)C(N)=O)C[C@H]2C1 1055407800 RDVQSKZGCJYMPO-BFQNTYOBSA-N 323.393 -0.383 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@](CO)(NC(=O)Cn2cccn2)C1 1055763982 OHOKRRSESXCNEH-SWLSCSKDSA-N 319.365 -0.488 30 20 DBED N#Cc1ccc(N2C[C@H]3C(NC(=O)[C@H]4C[C@H]4C(N)=O)[C@@H]3C2)nc1 1056407075 KXQIOSLIMUTYSR-WRWGMCAJSA-N 311.345 -0.375 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)c1cnc(C)cn1 1056846846 KZYXYRGCWIKAKI-UHFFFAOYSA-N 322.365 -0.462 30 20 DBED CO[C@@H](C)CC(=O)NCCN(CCO)C(=O)c1ccc(C#N)[nH]1 1057367449 ZVYIHTFMEOFVGP-NSHDSACASA-N 322.365 -0.138 30 20 DBED CCNC(=O)CC(=O)N(CCO)CCNC(=O)C#CC(C)C 1057392785 NQJPRJVHZVJRNM-UHFFFAOYSA-N 311.382 -0.891 30 20 DBED C=C1CC(C)(C(=O)NCCN(CCO)C(=O)c2cnnn2C)C1 1057474800 VEFOYJAAOUYXQI-UHFFFAOYSA-N 321.381 -0.278 30 20 DBED Cc1c[nH]c(C(=O)NCCN(CCO)C(=O)C#CC2CC2)n1 1057535591 COKZPTFFQUAGLW-UHFFFAOYSA-N 304.350 -0.318 30 20 DBED C#CCOCCC(=O)NCCN(CCO)C(=O)CCOCC#C 1057581614 WDKUVOKSJDTYNN-UHFFFAOYSA-N 324.377 -0.997 30 20 DBED N#Cc1ccc(N2CC[C@@H](NC(=O)C3CS(=O)(=O)C3)C2)nn1 1058456138 GYLMFTPCFFHHHJ-LLVKDONJSA-N 321.362 -0.912 30 20 DBED N#Cc1cnc(N2CC[C@@H](NC(=O)[C@H]3CCCC(=O)N3)C2)cn1 1058472552 ABGCMAOISOUKSD-ZYHUDNBSSA-N 314.349 -0.288 30 20 DBED CN1C[C@@H](C(=O)N[C@@H]2CCN(c3ncccc3C#N)C2)NC1=O 1058504410 PSNSUDJJCICWFQ-NEPJUHHUSA-N 314.349 -0.328 30 20 DBED Cn1cc(C(=O)N[C@@H]2CCN(c3cncc(C#N)n3)C2)nc1O 1058533034 RQZMIDPIVFMVMF-SECBINFHSA-N 313.321 -0.204 30 20 DBED CN(C[C@@H]1CCCN(C(=O)CC(N)=O)C1)c1ccc(C#N)nn1 1058681716 IXZDRCOAOFKFSH-NSHDSACASA-N 316.365 -0.102 30 20 DBED N#Cc1cnc(N[C@H]2C[C@H](NC(=O)[C@@H]3CCC(=O)N3)C2)cn1 1059267570 CRILDKSFUSJETL-QXEWZRGKSA-N 300.322 -0.314 30 20 DBED CC(=O)NCC(=O)NCC[C@@H]1CCN(C(=O)C#CC2CC2)C1 1059621134 PTXZMXHOOBHSJE-CQSZACIVSA-N 305.378 -0.109 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@H]1COCCN1C(=O)C(F)F 1061541537 AALXYAKITWYUNK-RNCFNFMXSA-N 306.309 -0.078 30 20 DBED N#Cc1nccc(N2CC[C@@H](CNC(=O)[C@H]3C[C@H]3C(N)=O)C2)n1 1061732842 ZKSPQZBNTMQTHQ-AXFHLTTASA-N 314.349 -0.588 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H]1CCCCN1C(=O)[C@H](C)C#N 1062333245 KULJCRIBGLAXJQ-CHWSQXEVSA-N 318.377 -0.217 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)C(=O)NCC2CC2)CCC1 1064306295 GIDUTRNCFWKZTI-JTQLQIEISA-N 306.366 -0.173 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@H]1CN(C(=O)c2cc[nH]n2)CCO1 1064887017 BHHGCTLGKBHCCI-NHYWBVRUSA-N 322.365 -0.306 30 20 DBED O=C(Cc1cnc[nH]1)NC[C@H]1CN(C(=O)C#CC2CC2)CCO1 1065137415 SWEMJFRTXAHIMU-AWEZNQCLSA-N 316.361 -0.291 30 20 DBED Cn1cncc1C(=O)N1CCO[C@H](CNC(=O)C#CC2CC2)C1 1065315553 INKMKNXZKGOERN-CYBMUJFWSA-N 316.361 -0.209 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)c2nc[nH]n2)CCO1 1065446559 HOVOPNSPXSNBFL-LLVKDONJSA-N 305.338 -0.435 30 20 DBED C[C@H]1CN(C(=O)Cn2cncn2)C[C@H]1Nc1ccc(C#N)nn1 1067098621 NAUJVZAGXWEUJW-CMPLNLGQSA-N 312.337 -0.101 30 20 DBED N#Cc1c[nH]ccc1=NCC1CC(NC(=O)[C@@H]2CNC(=O)N2)C1 1067883225 KVHFGZRGRDEAQJ-OCTTZUBCSA-N 314.349 -0.637 30 20 DBED C#CCOCCC(=O)N[C@H]1COC2(C1)CN(C(=O)C(F)F)C2 1068868843 SXNUYHRLLNJKDL-SNVBAGLBSA-N 316.304 -0.223 30 20 DBED CCC1(NC(=O)[C@@H](C)C#N)CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 1069572653 AJLOWOJWKYQQKF-QWRGUYRKSA-N 321.381 -0.285 30 20 DBED Cn1cnc([C@@H]2CN(C(=O)C3(C(N)=O)CC3)C[C@H]2NCC#N)c1 1070529635 ZAULQFDXOFLINY-CMPLNLGQSA-N 316.365 -0.907 30 20 DBED C#CCN1CCOC[C@H]1c1n[nH]c(CNC(=O)[C@@H]2CCOC2)n1 1070581592 DZXJCKUVQRJSMU-NEPJUHHUSA-N 319.365 -0.536 30 20 DBED N#CCN1C[C@H]2C[C@@H]3CN(C(=O)[C@]4(F)CCOC4)C[C@@]3(C1)O2 1070843447 UEDHYHWLYKETDI-RJZRQDKASA-N 309.341 -0.060 30 20 DBED N#CCN1C[C@H]2C[C@@H]3CN(C(=O)Cc4cnc[nH]4)C[C@@]3(C1)O2 1070861755 AVCWFYLFPIXJKQ-UXIGCNINSA-N 301.350 -0.223 30 20 DBED Cc1cncn1CC(=O)N1CCC(=O)NCCN(CC#N)CC1 1070980213 VFMIDBULSSLIJP-UHFFFAOYSA-N 318.381 -0.634 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)[C@H]2C[C@@]23CCOC3)CC1 1071014145 AYXJBFVNHHRTSL-RHSMWYFYSA-N 319.405 -0.303 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)CNC(N)=O)C1 1071365129 GZFSFOJBLMEVAY-UTUOFQBUSA-N 324.381 -0.647 30 20 DBED C=CC(C)(C)C(=O)N[C@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1C 1071556579 KJJCZEDLRDTQES-QWRGUYRKSA-N 306.370 -0.152 30 20 DBED C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1NC(=O)c1cnon1 1071662259 TWVBMCDWKRHTHJ-PSASIEDQSA-N 309.351 -0.097 30 20 DBED C#CCCCC(=O)N1C[C@H](C)[C@H](NC(=O)CNC(=O)NC)C1 1071996188 OXLNEFVLZYEIJS-NWDGAFQWSA-N 308.382 -0.318 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](C)[C@@H](NC(=O)Cn2cnnn2)C1 1072035315 KEXWFQHXNIDVNM-NEPJUHHUSA-N 304.354 -0.704 30 20 DBED C#CCOCCC(=O)N1C[C@H](C)[C@H](NC(=O)Cc2cc[nH]n2)C1 1072098099 WLKXUDIEVJKIOB-GXTWGEPZSA-N 318.377 -0.045 30 20 DBED C[C@H]1CN(C(=O)Cn2nccn2)C[C@@H]1NC(=O)C#CC1CC1 1072184269 SVKFERCRYHRZOV-AAEUAGOBSA-N 301.350 -0.345 30 20 DBED N#CCN1CCCO[C@H](CNC(=O)c2cnc3n2CCOC3)C1 1073647317 IIYNPFMWYCSBQG-GFCCVEGCSA-N 319.365 -0.242 30 20 DBED C=CCCN1CCCO[C@H](CNC(=O)C2CC(=O)NC(=O)C2)C1 1073818266 CTMMGXKTIJZRQM-CYBMUJFWSA-N 323.393 -0.178 30 20 DBED CC(C)C#CC(=O)NCC[C@H](C)NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 1076410657 WOKVMUXPBCKQHQ-RWMBFGLXSA-N 323.393 -0.310 30 20 DBED C[C@@H](CCNC(=O)C#CC1CC1)NC(=O)C[C@@H]1CC(=O)NC1=O 1076432418 PIJQLBDHKMOZRQ-CMPLNLGQSA-N 319.361 -0.536 30 20 DBED CCS(=O)(=O)NCC(=O)NCC[C@H](C)NC(=O)[C@H](C)C#N 1076886491 NEJSHHLBHSKFJL-ZJUUUORDSA-N 318.399 -0.904 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)c2cnn3cc(C)cnc23)C1 1077763233 LYUZKBZBHZVQRP-CHWSQXEVSA-N 301.350 -0.001 30 20 DBED C[C@@H](CCNC(=O)C1(C(N)=O)CC1)NC(=O)c1cc(C#N)c[nH]1 1078111218 NNIWNKLKYROEMJ-VIFPVBQESA-N 317.349 -0.224 30 20 DBED C[C@@H](CCNC(=O)[C@@H](C)C#N)NC(=O)c1cnc(O)n(C)c1=O 1078135037 OYLUZERGJGCCRB-IUCAKERBSA-N 321.337 -0.730 30 20 DBED COCCN1C[C@@H](C(=O)N[C@@H]2CN(CC#N)C[C@H]2C)CC1=O 1079795863 COPXFGIVTGYYRW-FRRDWIJNSA-N 308.382 -0.559 30 20 DBED C=CC(C)(C)C(=O)N(CC)C1CN(C(=O)Cn2cnnn2)C1 1080220260 WYTYIYKDAJOSJC-UHFFFAOYSA-N 306.370 -0.055 30 20 DBED C=CCCOCC(=O)N1CC(N(CC)C(=O)Cc2nc[nH]n2)C1 1080593845 QHPFQGMLDGSNMF-UHFFFAOYSA-N 321.381 -0.001 30 20 DBED N#CCSCC(=O)NC[C@H]1CN(C(=O)C2CCC2)C[C@@H]1O 1081286953 RDQXZKVTBZWICJ-RYUDHWBXSA-N 311.407 -0.021 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)c2n[nH]c(C)c2O)C[C@@H]1O 1081334764 CHTCTPAGOFTQGT-MNOVXSKESA-N 322.365 -0.061 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CCCC(N)=O)C1 1081578285 YVYBNOKMEFKTBG-NWDGAFQWSA-N 311.382 -0.456 30 20 DBED C=CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CN(C(C)=O)CCO1 1083262528 ZGGSHLZUWZDXHZ-RRFJBIMHSA-N 323.393 -0.669 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)c2cccc(=O)n2C)C1 1083767013 HWWWTOUJIZCZIV-PWSUYJOCSA-N 311.769 -0.087 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)c2nnn(CC)c2CC)C1 1083774063 OGSMLFQKMCPPBT-YPMHNXCESA-N 305.382 -0.341 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)C2(N3CCOCC3)CCC2)C1 1083902549 XSORHJVPEDJCPU-CABCVRRESA-N 323.437 -0.021 30 20 DBED CCN(c1cncc(C#N)n1)[C@H](C)CNC(=O)[C@@H]1CCC(=O)N1 1089674341 DOFBVLXSZKUIOI-PWSUYJOCSA-N 316.365 -0.042 30 20 DBED N#CCN1CC[C@H](NC(=O)c2nc[nH]c3nccc2-3)[C@@H](O)C1 1090398169 VXEYZRHVNZPLGN-QWRGUYRKSA-N 300.322 -0.402 30 20 DBED N#CCN1CC[C@H](NC(=O)Cn2ncc3cccnc32)[C@@H](O)C1 1090436323 PTXLNKUFTNYISD-STQMWFEESA-N 314.349 -0.494 30 20 DBED Cc1cc(=NCCNC(=O)[C@@H]2CN(C)CCO2)c(C#N)c[nH]1 1093542894 SCGUMFULFKHOEX-AWEZNQCLSA-N 303.366 -0.458 30 20 DBED N#Cc1nccnc1NCCNC(=O)CNC(=O)C1CCC1 1093672923 CROKEGAWQHDEHV-UHFFFAOYSA-N 302.338 -0.207 30 20 DBED N#Cc1nc(=NCCNC(=O)c2cccc3nn[nH]c23)cc[nH]1 1093899033 IDOQAJGJQNGSGH-UHFFFAOYSA-N 308.305 -0.117 30 20 DBED Cn1cnn(CC(=O)NCCNc2ncc(C#N)cc2F)c1=O 1093963466 NBDHFXPGFAZYQK-UHFFFAOYSA-N 319.300 -0.784 30 20 DBED CCc1nc(C#N)cc(NCCNC(=O)[C@@H]2CN(C)C(=O)N2)n1 1094060701 PAWBZMHJCNDZNI-JTQLQIEISA-N 317.353 -0.538 30 20 DBED CN(CCCNC(=O)[C@H]1COCCN1C)c1ccnc(C#N)n1 1095522202 GNEBEUKPZJTVMQ-GFCCVEGCSA-N 318.381 -0.379 30 20 DBED CC(=O)NC(C)(C)C(=O)N[C@@H]1CCN(c2cnc(C#N)cn2)C1 1096399885 GBWBSOPDFNVSIS-LLVKDONJSA-N 316.365 -0.042 30 20 DBED Cc1cc(C#N)nc(N[C@@H](CNC(=O)CC(N)=O)C2CC2)n1 1096627534 IMCSGIKRCNPPOU-NSHDSACASA-N 302.338 -0.161 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1C[C@H](NC(=O)CCNC(N)=O)C1 1097030134 RQUJFNAGZUMKKH-XYPYZODXSA-N 302.338 -0.507 30 20 DBED C#CCOCCC(=O)N[C@H]1C[C@H](Nc2ccc3nnnn3n2)C1 1097066212 GJSODPSLFJFZQC-XYPYZODXSA-N 315.337 -0.382 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1C[C@@H](NC(=O)C(=O)NCC(F)F)C1 1097229129 NJZGVTJYOKUIED-AOOOYVTPSA-N 323.303 -0.184 30 20 DBED Cc1cc(C#N)nc(N[C@H](C)CNC(=O)[C@H]2COCCN2C)n1 1097764637 JXHLWPDLUZVBHS-DGCLKSJQSA-N 318.381 -0.096 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1C(=O)NC(=O)C1(C)C 1098158141 FGIHVSSJGNISEF-UTUOFQBUSA-N 318.377 -0.329 30 20 DBED C#CCN(CCO)C1CCN(C(=O)[C@H]2CCN(C)C(=O)C2)CC1 1098408247 LPOFBTATIZVKQP-AWEZNQCLSA-N 321.421 -0.227 30 20 DBED C#CCN(CCO)C1CCN(C(=O)c2cc(OC)n(C)n2)CC1 1098423920 KWMCQWMWGZSTSJ-UHFFFAOYSA-N 320.393 -0.039 30 20 DBED C#CCN(CCO)C1CCN(C(=O)C(C)(C)NC(C)=O)CC1 1098502432 ZTURXUUMNJUKIW-UHFFFAOYSA-N 309.410 -0.180 30 20 DBED COCC#CCN1CC[C@H](NC(=O)C2=COCCC2)[C@H](O)C1 1099726932 LGHWGYRXPSZYOP-LSDHHAIUSA-N 308.378 -0.118 30 20 DBED C=C(C)CCC(=O)N[C@H]1CCN(Cc2nc(O)n[nH]2)C[C@H]1O 1099857933 FIRRNLAFSKENFQ-WDEREUQCSA-N 309.370 -0.082 30 20 DBED CC(C)=C(C)CC(=O)N[C@@H]1CCN(CC(=O)NCC#N)C[C@@H]1O 1099949101 MATJTXLPEFPCHD-KGLIPLIRSA-N 322.409 -0.076 30 20 DBED CCCC1(C(=O)N[C@H]2CCN(CC(=O)NCC#N)C[C@H]2O)CC1 1100003342 FDNZDBIBTGJYEI-QWHCGFSZSA-N 322.409 -0.242 30 20 DBED CN(CCNC(=O)Cn1cnnc1O)c1ccc(C#N)nc1 1100029956 IMSSAFJSJBFSIA-UHFFFAOYSA-N 301.310 -0.497 30 20 DBED N#CCN1CC[C@H](NC(=O)COCc2ccncc2)[C@H](O)C1 1100053970 SIKGZZWOBMIDSV-UONOGXRCSA-N 304.350 -0.327 30 20 DBED CC(C)(C)S(=O)(=O)CC(=O)N[C@H]1CCN(CC#N)C[C@@H]1O 1100076651 ORLZYVDPLNZWLG-QWRGUYRKSA-N 317.411 -0.725 30 20 DBED CN(CCNC(=O)CCCCNC(N)=O)c1nccnc1C#N 1100215731 DQXRJMBYXOJLOU-UHFFFAOYSA-N 319.369 -0.261 30 20 DBED CN(CCNC(=O)c1ccc(C(N)=O)[nH]1)c1ccc(C#N)nn1 1100325859 ZUVLFAMVGZYCNX-UHFFFAOYSA-N 313.321 -0.359 30 20 DBED CN(CCNC(=O)CN1CCCNC1=O)c1ccnc(C#N)n1 1100408285 BPIOOOOSQADECL-UHFFFAOYSA-N 317.353 -0.684 30 20 DBED CCN(CCNC(=O)[C@H]1CC[C@@H]1C(N)=O)c1cncc(C#N)n1 1100695249 QRPPEKHYCQUWJF-RYUDHWBXSA-N 316.365 -0.198 30 20 DBED CC(=O)NCC(=O)NCC[C@H]1CCN(c2cncc(C#N)n2)C1 1102269620 AUJYJZHLKONODS-LBPRGKRZSA-N 316.365 -0.183 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)CCn1ccnn1 1103941838 OMIGPGODGLSGBD-NSHDSACASA-N 314.353 -0.384 30 20 DBED C[C@H](CNC(=O)[C@H]1CN(C)C(=O)N1)CNc1nccnc1C#N 1104177424 VGVRVQLIYFZDSS-GXSJLCMTSA-N 317.353 -0.464 30 20 DBED C=CCOCCNCC[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1C 1104199015 IZKGKFGALXLPNP-ZIAGYGMSSA-N 322.413 -0.050 30 20 DBED C[C@H]1CN(C(=O)CNC(N)=O)CC[C@@H]1N=c1cc[nH]c(C#N)n1 1105029681 FVKLYUYCPKWABP-UWVGGRQHSA-N 317.353 -0.913 30 20 DBED C=C(C)CCNCc1cn(C2CN(C(=O)CC(=O)NC)C2)nn1 1105221744 SMDLDFOMFBNJHU-UHFFFAOYSA-N 320.397 -0.147 30 20 DBED CN(CCN(C)c1ccnc(C#N)n1)C(=O)[C@H]1COCCO1 1105339913 XBRQYFJUVKIWKX-LLVKDONJSA-N 305.338 -0.342 30 20 DBED CCCOCC(=O)NC[C@@H](O)CN=c1cc(C)[nH]cc1C#N 1105732116 JJWAZKWDJCBADJ-ZDUSSCGKSA-N 306.366 -0.001 30 20 DBED N#CCSCC(=O)NC[C@H](O)CNc1cnc(C#N)cn1 1105755664 VEQLNNRPXDQSNH-SNVBAGLBSA-N 306.351 -0.506 30 20 DBED Cc1cc(=NC[C@@H](O)CNC(=O)c2cc[nH]n2)c(C#N)c[nH]1 1105767495 PHPCWWSEBNLGEP-LLVKDONJSA-N 300.322 -0.391 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)C[C@H]2COC(=O)C2)nn1 1105819913 NUQSPAINQYISJJ-KOLCDFICSA-N 319.321 -0.810 30 20 DBED CN(C)CCCCC(=O)NC[C@H](O)CNc1cnc(C#N)cn1 1105908563 SZUYCKFGANBXIF-CYBMUJFWSA-N 320.397 -0.031 30 20 DBED CCCN(C)CCC(=O)NC[C@H](O)CNc1cncc(C#N)n1 1105917126 CLDHGKNCJCRPAL-CYBMUJFWSA-N 320.397 -0.031 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)c2cncnc2O)nn1 1106006816 DMBKSLLLMNWMHD-SECBINFHSA-N 315.293 -0.953 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](C)[C@H](CNC[C@H]2CCOC2)C1 1106035304 RENKWAOUABCORF-RBSFLKMASA-N 321.421 -0.154 30 20 DBED COc1nc(C(=O)NC[C@@H](O)CN=c2cc[nH]cc2C#N)co1 1106051044 ZKEQUWYBYZRSMO-JTQLQIEISA-N 317.305 -0.425 30 20 DBED CNC(=O)NCCC(=O)N[C@H](C)CCNc1nccnc1C#N 1106316946 MGTVLOVUDDKFSP-SNVBAGLBSA-N 319.369 -0.026 30 20 DBED C#CCNC[C@@H]1CN(C(=O)CN2C(=O)NC(C)(C)C2=O)C[C@H]1C 1106949486 ZYIJIPRANNADBF-VXGBXAGGSA-N 320.393 -0.366 30 20 DBED CC(=O)N1CCC[C@@H]1C(=O)N[C@H](C)CN=c1cc[nH]c(C#N)n1 1107796829 QYXHFQGXRFXVGA-ZYHUDNBSSA-N 316.365 -0.302 30 20 DBED C[C@H](C#N)C(=O)NC[C@]1(C)CN(CC(=O)NCC2CC2)CCO1 1107819182 MEPUDGGQNXUNIV-MLGOLLRUSA-N 322.409 -0.121 30 20 DBED C[C@]1(CNC(=O)c2ccc3nnnn3c2)CN(CC#N)CCO1 1108069777 ITHXVIAGTYOQTI-AWEZNQCLSA-N 315.337 -0.531 30 20 DBED C[C@@H](CNc1nccn2nnnc12)NC(=O)c1cc(C#N)c[nH]1 1108298202 SSVLKTOAMUMIED-QMMMGPOBSA-N 311.309 -0.051 30 20 DBED C[C@@]1(CNC(=O)c2cccc(C(N)=O)n2)CN(CC#N)CCO1 1108429286 GPRZJQXAQDOVQD-OAHLLOKOSA-N 317.349 -0.475 30 20 DBED C[C@@H](CN=c1cc[nH]cc1C#N)NC(=O)C1CC(=O)NC(=O)C1 1108441880 VZOHWPCRNAYABW-VIFPVBQESA-N 315.333 -0.655 30 20 DBED C=CCCCN1CC(N2C[C@H](NC(=O)CNC(N)=O)CC2=O)C1 1108502302 KTKNXONHNOBKQP-LLVKDONJSA-N 323.397 -0.978 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)C(C)(C)NC(C)=O)CC2=O)C1 1108579816 CJTXKZZFDRCVIS-LBPRGKRZSA-N 322.409 -0.512 30 20 DBED C=CCOCC(=O)N[C@H](C)CN(C)c1nccn2nnnc12 1108867620 WBRJGAQDSCYNTC-SNVBAGLBSA-N 305.342 -0.337 30 20 DBED COC(=O)NCC(=O)N[C@]1(C)CCN(c2ccc(C#N)nn2)C1 1110711249 VETNWEVKFBNYCO-CQSZACIVSA-N 318.337 -0.211 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNc1ncnc2c1nnn2C 1111435915 JPWPVKXSMJPSGY-VIFPVBQESA-N 318.341 -0.849 30 20 DBED CO[C@@H](C)C(=O)NC[C@H]1COCCN1c1nccnc1C#N 1111656526 DKTRRUUIEIATMN-QWRGUYRKSA-N 305.338 -0.295 30 20 DBED C#CCCN[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1C(F)(F)F 1112145563 ZEDYMMZBJAMDQZ-RKDXNWHRSA-N 316.287 -0.174 30 20 DBED CNC(=O)CC(=O)N1C[C@H](C)[C@@H](Nc2cnc(C#N)cn2)C1 1112308308 DHOPWPREGRHDIC-ONGXEEELSA-N 302.338 -0.257 30 20 DBED CSCC(=O)NC[C@H]1CN(c2cncc(C#N)n2)C[C@H]1O 1112700405 SFHCLWQUKHEWKB-GXSJLCMTSA-N 307.379 -0.375 30 20 DBED CCOCCC(=O)NC[C@@H]1CN(c2nccnc2C#N)C[C@@H]1O 1112701268 FSTPWUDBEDOWHS-YPMHNXCESA-N 319.365 -0.312 30 20 DBED C#CCO[C@H](C)C(=O)N1CCN(Cc2cnn(CC)n2)CC1 1112844779 FYGQTDRWPKPRDO-CYBMUJFWSA-N 305.382 -0.020 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)[C@H](C)Nc1nccc(OC)n1 1112973076 FHYQEPNTBDOJCY-MNOVXSKESA-N 319.365 -0.070 30 20 DBED CCNC(=O)CCC(=O)N[C@@H](C)[C@@H](C)N=c1cc[nH]c(C#N)n1 1112998016 BHJCMYPMYOGOCJ-MNOVXSKESA-N 318.381 -0.008 30 20 DBED C[C@H](CNC(=O)c1cnn(C)c1N)N(C)c1cncc(C#N)n1 1113573083 BYYYHINCNCCBPB-SECBINFHSA-N 314.353 -0.081 30 20 DBED C[C@H](CNC(=O)[C@H]1COC(=O)N1)N(C)c1cnc(C#N)cn1 1113591008 NSVMTYSILQPZGT-PSASIEDQSA-N 304.310 -0.602 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)CC[C@@H]3CCCO3)[C@H]2C1 1113910938 MEKLXLCCHJNGAR-SZOQZIPDSA-N 319.405 -0.259 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@H]3CCCCO3)[C@H]2C1 1114141861 WSYSERLUMZIWMR-COMQUAJESA-N 307.394 -0.096 30 20 DBED C=C[C@](C)(O)CC(=O)NC1[C@@H]2CN(CC(=O)NC3CC3)C[C@@H]12 1114194837 WNXNWWSMLTYYCP-HSMVNMDESA-N 307.394 -0.362 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)CCc3ncc[nH]3)[C@H]2C1 1114206648 NWEDMPGGGJVCGH-ATCWAGBWSA-N 315.377 -0.862 30 20 DBED C=CCOCCN1C[C@@H]2C(NC(=O)c3cnc(O)n3C)[C@H]2C1 1114665485 IMSISSSXFCHGKG-QWRGUYRKSA-N 306.366 -0.012 30 20 DBED C=CCCCN1C[C@H]2[C@H](NC(=O)[C@H]3CCS(=O)(=O)N3)[C@H]2C1 1115247523 GAQCMEFPDCBWHM-XQHKEYJVSA-N 313.423 -0.309 30 20 DBED N#CCN1C[C@@H]2C(NC(=O)COc3cccc(C(N)=O)c3)[C@H]2C1 1115292546 PWMLVRRHHMAVNW-STQMWFEESA-N 314.345 -0.266 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@@H](C)OCC=C)[C@H]2C1 1115332869 QSKWAPJYEYLJBM-CXTNEJHOSA-N 307.394 -0.074 30 20 DBED COC[C@H]1CCN(C(=O)C(=O)NC2CCN(CC#N)CC2)C1 1117280735 DKHNZEIBZIWEDN-LBPRGKRZSA-N 308.382 -0.415 30 20 DBED C#C[C@@H](NC(=O)C(=O)NCCC(=O)NC(C)C)[C@H]1CCCO1 1117528567 JETZDNOSWFDPKR-VXGBXAGGSA-N 309.366 -0.686 30 20 DBED COC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)C#CC(C)(C)C 1120803167 OKHPPOHMAPVAHO-SNVBAGLBSA-N 301.364 -0.166 30 20 DBED N#Cc1nc(=N[C@@H](CO)CNC(=O)CC[C@H]2CCCO2)cc[nH]1 1121137519 XEEDKAYPLIKFFS-VXGBXAGGSA-N 319.365 -0.382 30 20 DBED C=CCn1c(CO)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1121701042 QEQMOKKXFPBUKJ-JTQLQIEISA-N 300.384 -0.030 30 20 DBED Cc1nonc1C(=O)NC[C@H](CO)Nc1ccc(C#N)nn1 1121733920 GCOHFJRJLGSUDD-SECBINFHSA-N 303.282 -0.758 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H](CO)Nc1nc(C)cc(C#N)n1 1122035625 IXAAZJAHFPJTKQ-AAEUAGOBSA-N 317.349 -0.416 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](CO)Nc1nccnc1C#N 1122593459 NXCQZZSWJYNFQI-LOWVWBTDSA-N 317.349 -0.172 30 20 DBED CCC(=O)N[C@H](C)C(=O)NC[C@@H](CO)Nc1ccc(C#N)cn1 1122752705 QFQURRQAELEYRA-PWSUYJOCSA-N 319.365 -0.243 30 20 DBED CC(=O)NCCOCCNCCNC(=O)CSCC#N 1123792327 SBHHAUULTZKJBB-UHFFFAOYSA-N 302.400 -0.898 30 20 DBED CN(C[C@H](O)CNc1nccnc1C#N)C(=O)Cc1cc[nH]n1 1124185792 SHDCFULUXFVICP-LLVKDONJSA-N 315.337 -0.455 30 20 DBED C#CCOCCC(=O)N(C)C[C@H](O)CN(C)c1nccnc1F 1125163203 XSBNMNYDEPDRAT-LBPRGKRZSA-N 324.356 -0.089 30 20 DBED C#CCCCCC(=O)NCCNCCN1CCCS1(=O)=O 1125938820 LCRRNHUXUFBWHB-UHFFFAOYSA-N 315.439 -0.079 30 20 DBED C=C[C@](C)(O)CC(=O)NCCNC[C@@H]1CCS(=O)(=O)C1 1126365757 NHVIUZWBXUJPMA-AAEUAGOBSA-N 304.412 -0.546 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)Cc2nnc(C)o2)C1=O 1126667492 MOVXVKYQLWOQSD-NSHDSACASA-N 307.354 -0.587 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CCc2nnc(CNCC#N)n2CC1 1127965412 URHHLUIZJAJBQQ-GHMZBOCLSA-N 301.354 -0.128 30 20 DBED C#CCN1CCn2ncc(CNC(=O)Cc3nnc(C)o3)c2C1 1128337708 NMLWUUQUXDWMBR-UHFFFAOYSA-N 314.349 -0.118 30 20 DBED C#CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)C(C)(C)C(N)=O)C1 1129060841 VPDYOMYEXCLAJE-NEPJUHHUSA-N 318.381 -0.846 30 20 DBED C#CCCN[C@@H]1CN(C(=O)c2ccon2)C[C@@H]1n1ccnn1 1129618299 RLWGPEVYTDDRKO-OLZOCXBDSA-N 300.322 -0.055 30 20 DBED C#CCCN[C@@H]1CN(C(=O)c2ccnn2C)C[C@@H]1n1ccnn1 1129664008 DJFVOVUBCWGWLB-OCCSQVGLSA-N 313.365 -0.310 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCN[C@@H]1CCN(CC)C1=O 1129771420 WUVGHLYHJHFMEO-KGLIPLIRSA-N 306.410 -0.589 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1ccc(OC)cc1F 1130921980 JCQVRVKQZKNAEO-UHFFFAOYSA-N 307.325 -0.097 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)C[C@H]1CCCC(=O)N1 1131110033 ZHAYVRWPAAQNRX-VXGBXAGGSA-N 310.398 -0.558 30 20 DBED COCC#CCN1C[C@@H](NC(=O)Cn2cncn2)CC[C@@H]1C 1132464330 QZWXGMDXZFJHRF-KBPBESRZSA-N 305.382 -0.103 30 20 DBED C=CCOCC(=O)N1CC[C@@H](C)[C@H](CNCc2nnn(C)n2)C1 1132705361 LGBAXFOXCQUZDB-CHWSQXEVSA-N 322.413 -0.013 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1ccc2nonc2c1 1133220103 GEBQNJUEYVLTPB-JTQLQIEISA-N 315.333 -0.320 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)CCc1cnn[nH]1 1135497825 VRGVFGUYZDGPMI-NEPJUHHUSA-N 320.397 -0.640 30 20 DBED CC(C)(C)c1n[nH]cc1C(=O)NCCNCC(=O)NCC#N 1147327856 JQZCTLPEDVKVSB-UHFFFAOYSA-N 306.370 -0.334 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@](C)(NC(C)=O)C1CC1 1147459051 NKNIPSFBXVJVNT-BDJLRTHQSA-N 322.409 -0.865 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)C[C@H](C)N1CCCC1=O 1147614889 KTIVZSHXPDWRCP-QWHCGFSZSA-N 324.425 -0.216 30 20 DBED CC#CCN1CCCO[C@@H](CNC(=O)C[C@H](C)NC(N)=O)C1 1149722028 VKPWYAILAKULOZ-STQMWFEESA-N 310.398 -0.336 30 20 DBED CC[C@@H](F)C(=O)NC[C@H]1CN(CC(=O)NCC#N)CCCO1 1150149353 QLNKYDFBCWCLMF-NWDGAFQWSA-N 314.361 -0.419 30 20 DBED C=C(C)CN1CCCO[C@H](CNC(=O)C[C@@H]2CC(=O)NC2=O)C1 1150831056 KOWDPSIXQNQMRG-CHWSQXEVSA-N 323.393 -0.178 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)CNC(=O)[C@@H](C)CC 1151346728 WFXSRXHIKJHKNW-NWDGAFQWSA-N 312.414 -0.455 30 20 DBED C#CCCN(CC)[C@H](C)CNC(=O)Cn1ccc(=O)n(C)c1=O 1153710455 UNZCOVVQKPAUQI-CYBMUJFWSA-N 320.393 -0.603 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)c1cnn(CC)c1 1155950385 FQOJZGBMJZBPMU-GFCCVEGCSA-N 305.382 -0.250 30 20 DBED C=CCNC(=O)CNCCCNC(=O)c1cn(C)nc1CC 1160540755 SFJJDISLHDIDAW-UHFFFAOYSA-N 307.398 -0.006 30 20 DBED N#Cc1ccccc1CNCCCNC(=O)[C@H]1CNC(=O)N1 1165467644 NXPRTWGIHXHGFT-CYBMUJFWSA-N 301.350 -0.164 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@@H]1CCCc2nc[nH]c21 1166407918 CXAZEELSZHRBPJ-GFCCVEGCSA-N 317.393 -0.325 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NCCCNCCOCCO 1167667792 MTTRGFCBWVYGTJ-AWEZNQCLSA-N 315.414 -0.438 30 20 DBED C=CCn1cc(C(=O)NCCCNCCS(C)(=O)=O)nn1 1167838760 LTPWEGWGQQAMBE-UHFFFAOYSA-N 315.399 -0.782 30 20 DBED C=CCNC(=O)CNCCCC[C@@H](C)NC(=O)c1cn(C)nn1 1170608024 MAADQVKRVIRYFL-GFCCVEGCSA-N 322.413 -0.005 30 20 DBED C=CCNCCCC[C@H](C)NC(=O)Cn1cnc(C(N)=O)n1 1170879627 YRLUOVJPKOPZEE-NSHDSACASA-N 308.386 -0.172 30 20 DBED C#CCCNCCCC[C@@H](C)NC(=O)C[C@@H]1NC(=O)NC1=O 1171300103 OKTCZUIHBLHJRN-NEPJUHHUSA-N 308.382 -0.128 30 20 DBED C=CCn1cc(C(=O)N[C@H](C)CCCCNCC(N)=O)nn1 1175622037 SKRDVKYWFMMLCF-LLVKDONJSA-N 308.386 -0.172 30 20 DBED C#CCCCCC(=O)N1CC[C@H]2OCCN(CC(N)=O)[C@@H]2C1 1176990088 YXKHMTDYWUAVBH-ZIAGYGMSSA-N 307.394 -0.033 30 20 DBED CC(=O)NCC(C)(C)C(=O)N1CC[C@@H]2OCCN(CC#N)[C@H]2C1 1177107284 PPRXWCVMWMEQPQ-KBPBESRZSA-N 322.409 -0.026 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC[C@H](NC[C@H](O)COC)[C@@H]1C 1178572437 IAVRFLKMJREZIO-ABHRYQDASA-N 300.399 -0.100 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)C(=O)C(C)(C)C)C1 1181716497 NEOHOXSIECNKDK-VXGBXAGGSA-N 307.394 -0.070 30 20 DBED C=CCOCCNC[C@H]1CCN(C(=O)CNC(N)=O)C[C@@H]1C 1183822921 OYFIZMYICSBWDD-QWHCGFSZSA-N 312.414 -0.069 30 20 DBED C=CCOCCN[C@@H]1CCN(C(=O)C(=O)NCC(F)F)C1 1183854212 NHHMLMKIEBXDEI-SNVBAGLBSA-N 305.325 -0.239 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 1185289759 SVUMFVKAEIFLMH-WDEREUQCSA-N 308.382 -0.867 30 20 DBED C#CCCN[C@@H]1CCCO[C@@H]1C1CCN(C(=O)C(N)=O)CC1 1186134432 BXGFZIFRSJFNFG-ZIAGYGMSSA-N 307.394 -0.129 30 20 DBED C=CCNC(=O)CN1C[C@@H]2CCN(C(=O)Cc3nc[nH]n3)[C@@H]2C1 1189741826 LTVPEEKYPMUHLC-NWDGAFQWSA-N 318.381 -0.818 30 20 DBED C#CCCN(C)[C@@H]1CCN(C(=O)CCn2ncn(C)c2=O)C1 1191508806 ZSTGEHKDVJUXTB-CYBMUJFWSA-N 305.382 -0.472 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)[C@H](C)OCC2CC2)C1 1191547204 XXRRFFVDTDHNPN-NWANDNLSSA-N 310.394 -0.387 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)CCC(F)(F)F)C1 1192021316 BFMDDEBDFOILCY-NXEZZACHSA-N 323.315 -0.208 30 20 DBED CCn1nccc1C(=O)N[C@@H]1CN(CC#CCOC)C[C@H]1O 1192420378 QJYYVWZMCOWNRL-TZMCWYRMSA-N 306.366 -0.672 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C2CC2)N(C)C)C1 1193781463 MJEJWHTZOBNOEE-RBSFLKMASA-N 309.410 -0.862 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)CC[C@H]2CCCN2C)C1 1193901927 LADUVBAZNQSUKF-BZUAXINKSA-N 323.437 -0.328 30 20 DBED C#CCCN1CCCN(C(=O)CS(=O)(=O)CCOC)CC1 1196316966 IHCGJUVFPLYZHE-UHFFFAOYSA-N 316.423 -0.395 30 20 DBED CCOCCn1cc(C(=O)N[C@@H]2CN(CC#N)C[C@H]2O)cn1 1197273706 JEMXESRQBUYTLB-CHWSQXEVSA-N 307.354 -0.782 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2cccn2CC)C1 1198690021 RXKCCEWLGQORIO-TZMCWYRMSA-N 318.377 -0.968 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2ncccn2)C[C@H]1O 1199314972 UUIFMURESJKLDL-JHJVBQTASA-N 306.366 -0.271 30 20 DBED C[C@@H](C#N)C(=O)N1CCCO[C@H](CNCCN2CCNC2=O)C1 1200114226 BLGDYSVKLDMRDC-QWHCGFSZSA-N 323.397 -0.622 30 20 DBED C#CCNC(=O)CC(=O)N1CCC(NCC(=O)NC(C)C)CC1 1200171410 ZSQAMDWCNMVGHT-UHFFFAOYSA-N 322.409 -0.769 30 20 DBED C#CCNC[C@@H]1CN(C(=O)[C@H]2CN(C(C)=O)CCO2)CCCO1 1201974570 FCRJHOZFONSMKF-HUUCEWRRSA-N 323.393 -0.926 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CCN(C(=O)Cc2cnc[nH]2)CC1 1202675433 YTSSSDWSJBIJDX-GFCCVEGCSA-N 317.393 -0.329 30 20 DBED CC#CCNCC1CCN(C(=O)CN2CC(=O)N(C)C2=O)CC1 1206870268 QFQMUPYIZKSLNQ-UHFFFAOYSA-N 320.393 -0.268 30 20 DBED C=C(C)CN1C[C@@H](NC(=O)CCNS(C)(=O)=O)[C@H](C)C1 1207299344 ZCJWMZQJSZKKCX-VXGBXAGGSA-N 303.428 -0.062 30 20 DBED COCC#CCN1C[C@@H](NC(=O)[C@@]2(C)CCNC2=O)[C@H](C)C1 1208575955 YRTWTOOUMJNNIW-IOASZLSFSA-N 307.394 -0.401 30 20 DBED COCC#CCN1C[C@@H](NC(=O)c2ncccn2)[C@H](OC)C1 1213602305 FHSXOCYMGUHJHS-CHWSQXEVSA-N 304.350 -0.445 30 20 DBED CCCc1noc(CN2C[C@H](O)[C@H](NC(=O)[C@H](C)C#N)C2)n1 1219379179 OAKCSZSAFSWOSM-MXWKQRLJSA-N 307.354 -0.157 30 20 DBED C=CC(C)(C)CC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[nH]2)C[C@@H]1O 1219706803 OTHNWJHUXKLQRJ-MNOVXSKESA-N 323.397 -0.628 30 20 DBED C#CCCN1CC[C@@H]2CN(C(=O)[C@H](C)NS(C)(=O)=O)[C@@H]2C1 1221835312 GJAUVOGBUINHAL-YNEHKIRRSA-N 313.423 -0.520 30 20 DBED N#CCSCC(=O)NC1CCN(CC(=O)NC(N)=O)CC1 1226152240 DSZJRBNKGQLLFG-UHFFFAOYSA-N 313.383 -0.981 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC[C@H]1CN(C)C(=O)c1cn(C)nn1 1234051847 XAIHKGMYVSMAMK-NEPJUHHUSA-N 320.397 -0.348 30 20 DBED CNC(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)C1 1261449475 CFEGVFZZELMXFU-QJPTWQEYSA-N 306.366 -0.221 30 20 DBED CNC(=O)[C@@H](C#N)C(=O)c1cc(S(=O)(=O)N(C)C)cn1C 1263292228 YPPLSDNRWKAOIN-VIFPVBQESA-N 312.351 -0.656 30 20 DBED COc1c(F)cc(CC(=O)NCC#N)cc1S(N)(=O)=O 1319632656 XMVRSCMEMNSVDS-UHFFFAOYSA-N 301.299 -0.336 30 20 DBED C=CC[C@@H](CO)CNC(=O)C1CCN(S(=O)(=O)NC)CC1 1321862425 VJKLSFPQFFCUJP-LLVKDONJSA-N 319.427 -0.537 30 20 DBED CC#CCCNC(=O)C(=O)N[C@@H]1CCN(C2CCN(C)CC2)C1 1322723818 IIFSLZPGWCJHSE-CQSZACIVSA-N 320.437 -0.199 30 20 DBED C=C[C@H](COC)NC(=O)N1CC[C@@H](S(=O)(=O)NCC)C1 1324015910 SCFBKBZNXLZCHP-GHMZBOCLSA-N 305.400 -0.089 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N(C)C[C@H]1CCOC1 1325699425 YBLOBVDXYVALQO-LLVKDONJSA-N 318.395 -0.802 30 20 DBED COCC#CC(=O)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1328228249 KWSGIONELKNYQQ-CQSZACIVSA-N 307.394 -0.209 30 20 DBED CC(=O)NCCN(C)C(=O)C(=O)NCc1ccc(C#N)c(F)c1 1328318602 YHAKNESYOOZNAT-UHFFFAOYSA-N 320.324 -0.092 30 20 DBED C[C@@H]1CN(C(=O)C(=O)N2CCN(CCC#N)CC2)C[C@]1(C)CO 1329507029 FRTWPEPJLYYOBU-CZUORRHYSA-N 322.409 -0.479 30 20 DBED CCN1C[C@@H](CNC(=O)C(=O)N2CC[C@](F)(C#N)C2)CC1=O 1329863835 SXABIZSBINWTKF-YGRLFVJLSA-N 310.329 -0.565 30 20 DBED C=CCC1(O)CCN(c2nnnn2Cc2cnnn2C)CC1 1334257727 LRCSBMXWNALJNL-UHFFFAOYSA-N 304.358 -0.243 30 20 DBED N#C[C@H]1CCCN(C(=O)C(=O)N(CCO)C2CCOCC2)C1 1338061394 HJYIKUGZOWDYMI-GFCCVEGCSA-N 309.366 -0.252 30 20 DBED C#CCN1CCN(c2nnc([C@H](O)COC)n2CCOC)CC1 1341742248 FYUDOLKKCBUGOF-CYBMUJFWSA-N 323.397 -0.641 30 20 DBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H]1CC(=O)N(C)C1 1347551275 KAODHGHKBLVILO-GVXVVHGQSA-N 309.366 -0.569 30 20 DBED CC(C)CN(CCN(C)C)C(=O)Cn1cc(C#N)c(O)nc1=O 1361942639 UVJMQTWICXKDTH-UHFFFAOYSA-N 321.381 -0.133 30 20 DBED COC(=O)C1(NCC(=O)N(CCC#N)CCC#N)CCOCC1 1363798703 ZOOBKNQQVRZZDN-UHFFFAOYSA-N 322.365 -0.046 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CN(C)C(=O)CCN1CCCCC1 1383004012 SCTYTBYBEIFUBI-KBPBESRZSA-N 324.425 -0.042 30 20 DBED CC(=O)N(C)CC(=O)N(C)CCNC(=O)c1cc(C#N)c[nH]1 1397894647 UCKIHMLWEFNKOT-UHFFFAOYSA-N 305.338 -0.447 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]1CNC(=O)CCN1CCOCC1 1410615855 OMQBHZIWJMVICN-CHWSQXEVSA-N 308.382 -0.415 30 20 DBED CC[C@@H](C)N(C)CCNC(=O)Cn1cc(C#N)c(O)nc1=O 1411748132 ZJWMDHOKSBZZTG-SNVBAGLBSA-N 307.354 -0.333 30 20 DBED CCN1CCC[C@H]1CNC(=O)Cn1cc(C#N)c(O)nc1=O 1412826313 JRGILOHNVVNJTC-NSHDSACASA-N 305.338 -0.579 30 20 DBED Cc1cnc2nc(C(=O)NCCN(C)C(=O)[C@H](C)C#N)nn2c1 1415529490 PHSLPEUEUXOORM-SNVBAGLBSA-N 315.337 -0.219 30 20 DBED CCN1C[C@H](C)N(C(=O)Cn2cc(C#N)c(O)nc2=O)C[C@H]1C 1417698797 YSNUAWSBNVQPRQ-MNOVXSKESA-N 319.365 -0.238 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNCC(=O)NCc1ccco1 1422270581 YUUOJDJBBIFXBZ-QWRGUYRKSA-N 308.338 -0.878 30 20 DBED C[C@H](C#N)C(=O)N1CCC(N(C)C(=O)CCn2cnnn2)CC1 1424819208 CWWSQWNGOBPKND-LLVKDONJSA-N 319.369 -0.328 30 20 DBED CC(C)c1nnnn1CC(=O)NC[C@H](C)N(C)C(=O)[C@H](C)C#N 1426664643 LPJKZSOGVXTULD-MNOVXSKESA-N 321.385 -0.081 30 20 DBED N#CC1CCN(C(=O)NCc2nnc3c(=O)[nH]ccn23)CC1 1434832450 BUVMOIFPPKZBJR-UHFFFAOYSA-N 301.310 -0.137 30 20 DBED C[C@H](C#N)C(=O)NCC1(NCc2nnc3n2CCOC3)CC1 1446161844 PYNPFLXBOWDEFR-SNVBAGLBSA-N 304.354 -0.294 30 20 DBED Cc1cc(C#N)nc(N(C)Cc2nnc3n2CCN(C)C3=O)n1 1458598126 SFWMVDAVSMFZQY-UHFFFAOYSA-N 312.337 -0.030 30 20 DBED CC(=O)NCC(=O)N[C@@H](C)C1CN(C(=O)c2ccc(C#N)[nH]2)C1 1487141926 HZMRWHYRCRRWGF-VIFPVBQESA-N 317.349 -0.401 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(Cc2cn(C(C)(C)C)nn2)C1 1500806549 UNGIONMASFHERH-NSHDSACASA-N 320.397 -0.144 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)c2cc(=O)n(C)cn2)CC1 1506123863 ITGCJUMOMGLEHT-SECBINFHSA-N 303.322 -0.681 30 20 DBED C=CCn1c([C@@H](CC)CO)nnc1N1CCO[C@H](C(=O)NC)C1 1520473176 ZJQIMFKYNUJPQZ-RYUDHWBXSA-N 323.397 -0.099 30 20 DBED O=C(O)C1=NO[C@H](C(=O)NCc2ccc(C(=O)NO)cc2)C1 1574644396 UTEFEPZLCDKXCN-JTQLQIEISA-N 307.262 -0.349 30 20 DBED CC(C)[C@@H](CNC(=O)Cn1cc(C#N)c(O)nc1=O)C(=O)O 1588821679 STPXVZVAMOFKKO-SECBINFHSA-N 308.294 -0.706 30 20 DBED C=CCNC(=O)CN1C[C@H]2CN(C(=O)[C@H]3C[C@@H]3C(=O)O)C[C@H]2C1 1588844072 ARSVWDUJAOQDNT-RNJOBUHISA-N 321.377 -0.601 30 20 DBED C[C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@H]1NCC#N 1591740178 VOVDGLMXZRNIGD-LDYMZIIASA-N 300.326 -0.232 30 20 DBED N#Cc1ncc(NCC2(O)CCOCC2)nc1-c1nn[nH]n1 1592710690 VEWXZTWQVRLRDI-UHFFFAOYSA-N 302.298 -0.518 30 20 DBED Cn1c(=O)[nH]c(NCC2(C(=O)O)CCOCC2)c(C#N)c1=O 1594515580 KUMXYACNSCIBQI-UHFFFAOYSA-N 308.294 -0.761 30 20 DBED C=C(CCC(=O)OC)C(=O)NCCC(=O)NCCC(=O)O 1602787881 VDKOIWFWVLCRAY-UHFFFAOYSA-N 300.311 -0.407 30 20 DBED CN(C)C(=O)NCCNc1cnc(-c2nn[nH]n2)c(C#N)n1 1604670481 DULSSBARZASZJO-UHFFFAOYSA-N 302.302 -0.789 30 20 DBED N#CCCC[C@H](N)C(=O)N(CCN1CCOCC1)CC(=O)O 1608180330 LLGJQDCGTSCFAB-LBPRGKRZSA-N 312.370 -0.747 30 20 DBED N#Cc1ncn(CCNC(=O)c2cc(-c3nn[nH]n3)ccn2)n1 1609501484 SYEBTXFGVZOQHY-UHFFFAOYSA-N 310.281 -0.845 30 20 DBED C=CCNC(=O)CN(C)CCCNC(=O)c1nnn(C)c1C 1751957276 HZNANLINGRFYPD-UHFFFAOYSA-N 308.386 -0.523 30 20 DBED CC(C)[C@H]1C[C@H]1C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1752846166 QCBBNURPHROTRS-NTASLKFISA-N 304.394 -0.035 30 20 DBED C#CCCN1CC[C@H](CCNC(=O)CN(C)C(=O)COC)C1 1753332340 MBXOSYPEQXGVKM-AWEZNQCLSA-N 309.410 -0.057 30 20 DBED C#CCN[C@@H](CNC(=O)C[C@]1(C)CCS(=O)(=O)N1)C(C)C 1753843372 IABCPRIWNFLNBU-JSGCOSHPSA-N 315.439 -0.178 30 20 DBED C#CCNC(=O)CNCCCN(C)C(=O)c1cccnc1OC 1754394341 XATIFNNBFVBFDB-UHFFFAOYSA-N 318.377 -0.109 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@H]1CNC(=O)c1ccnn1CC 1754480492 IEPQGHUDIDWZSH-STQMWFEESA-N 317.393 -0.155 30 20 DBED C=CCNC(=O)[C@H](C)N1CC[C@@](C)(NC(=O)c2cnon2)C1 1754681880 JWVFVAPTZRTZBT-IINYFYTJSA-N 307.354 -0.046 30 20 DBED C=CCNC(=O)CN1CC(O)(CNC(=O)Cc2ccc(C)o2)C1 1754774861 QFXNIRMWAQDDOO-UHFFFAOYSA-N 321.377 -0.404 30 20 DBED C#CCNC(=O)[C@@H](C)NCC1(O)CCN(C(=O)[C@H]2C[C@@H]2C)CC1 1755152559 NWGXTCXVWPBTAV-MJBXVCDLSA-N 321.421 -0.277 30 20 DBED C=CCn1cc(C(=O)N[C@H](C)[C@@H](C)NCC(=O)NC2CC2)nn1 1755255036 CDRJZMTXCIFHNG-GHMZBOCLSA-N 320.397 -0.161 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@@H](C)CNC(=O)Cc1n[nH]c(C)n1 1755299907 IPRGSMYFWYYFGC-QWRGUYRKSA-N 320.397 -0.770 30 20 DBED CN(C)CCC(=O)NC1(CNCC(=O)NCC#N)CCCCC1 1755354653 OKSVRVOJCCLMLK-UHFFFAOYSA-N 323.441 -0.013 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)[C@@H](OC)C2CC2)C(C)(C)C1 1755406397 DYCXJIYQGLNFEU-HIFRSBDPSA-N 321.421 -0.013 30 20 DBED C=CCNC(=O)CN[C@H](C)[C@@H]1CN(C(=O)c2ccon2)CCO1 1755439521 QPVGHXKDJOPIFZ-YPMHNXCESA-N 322.365 -0.204 30 20 DBED COCC#CCN[C@H](C)[C@H]1CN(C(=O)c2cnon2)CCO1 1755459170 HHJKXHPHTBOFAQ-DGCLKSJQSA-N 308.338 -0.462 30 20 DBED CC(C)(C)n1nnc(CN[C@H](CO)CNC(=O)C#CC2CC2)n1 1755628958 YYZXVBMYAUCSKZ-LBPRGKRZSA-N 320.397 -0.592 30 20 DBED C=CCNC(=O)[C@H](C)N[C@H](CO)CNC(=O)c1c(C)ncn1C 1755632571 VGDFEZFPDOTYBB-RYUDHWBXSA-N 323.397 -0.900 30 20 DBED CC#CCN[C@H](CO)CNC(=O)c1ccnc2c1CC(=O)N2 1755644295 TVCJWBRITOCSDX-JTQLQIEISA-N 302.334 -0.720 30 20 DBED CN(CCOCCNCC#N)C(=O)c1cccc2ncnn12 1755874783 URHZFCDVWGSCPR-UHFFFAOYSA-N 302.338 -0.069 30 20 DBED CN1C[C@@H](C(=O)N[C@H]2C[C@H](CNC(=O)C#CC3CC3)C2)NC1=O 1756257765 QRTZEEMJUAYWSY-AVGNSLFASA-N 318.377 -0.566 30 20 DBED C[C@H](CCCNC(=O)CCNC(N)=O)NC(=O)C#CC1CC1 1756304997 ZQKMJNSYVYUFOD-LLVKDONJSA-N 308.382 -0.141 30 20 DBED O=C(C#CC1CC1)NC[C@H](CO)NC(=O)[C@H]1CCCOCC1 1756519537 KBFXZJUBXSWPQP-UONOGXRCSA-N 308.378 -0.190 30 20 DBED C#CCCCC(=O)N1CC[C@H]2CN(C(=O)Cn3cnnn3)C[C@H]21 1756956277 QHRDALPEONGRMZ-QWHCGFSZSA-N 316.365 -0.464 30 20 DBED C=C[C@](C)(O)CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnc(C)[nH]2)C1 1756985751 PMAFZFAJVYGXON-JMSVASOKSA-N 322.365 -0.653 30 20 DBED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)CC1CC1)CCO2 1783561393 PCMLRCBSVGTEFM-INIZCTEOSA-N 320.345 -0.296 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)[C@@H](O)C=C)C2 1800453667 NOYBLEMPAHMZPU-XFMPKHEZSA-N 320.389 -0.218 30 20 DBED O=C(O)C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1nc[nH]n1)C2 1801988901 QUVABVKLAGIQSE-ILWJIGKKSA-N 317.305 -0.856 30 20 DBED Cn1ncnc1C(=O)N1CCCC12CN(C(=O)C1(C#N)CC1)C2 1842341805 ZLIRPRBGRRLLLY-UHFFFAOYSA-N 314.349 -0.064 30 20 DBED C#CCCC(=O)N1CC2(CCCN2C(=O)CS(C)(=O)=O)C1 1842780694 JLWJONOSDWTGPD-UHFFFAOYSA-N 312.391 -0.352 30 20 DBED Cc1n[nH]cc1C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1844775956 RMVPILFDHADMCU-UHFFFAOYSA-N 316.317 -0.377 30 20 DBED C#CC(=O)N1CCCC12CN(C(=O)CCc1nc(N)n[nH]1)C2 1845959378 JAKCEXOIGICSIK-UHFFFAOYSA-N 302.338 -0.844 30 20 DBED C#CCNC(=O)NCCCN1CCN(c2ncccn2)CC1 45133556 KVQPYTMDIMEKIZ-UHFFFAOYSA-N 302.382 -0.079 30 20 DBED Cn1c(NC[C@@](C)(O)c2ccco2)c(C#N)c(=O)n(C)c1=O 78376879 OCVGBOATOQMKAG-CQSZACIVSA-N 304.306 -0.132 30 20 DBED CS(=O)(=O)NCC[C@@H]1CCCCN1CC(=O)NCC#N 108854845 BLDCKFFSBAPCKD-NSHDSACASA-N 302.400 -0.580 30 20 DBED CC(C)N1CCO[C@H](CN2CCN(CC(=O)NCC#N)CC2)C1 108867503 AWOSQHAFLSBNQR-OAHLLOKOSA-N 323.441 -0.647 30 20 DBED N#Cc1ccc(Cl)c(S(=O)(=O)N[C@H](CO)C(=O)O)c1 130613388 HBQWVIAMNFVYDG-MRVPVSSYSA-N 304.711 -0.065 30 20 DBED C#CCCCCNC(=O)N1CCN(C(=O)Cn2cnnn2)CC1 154881396 NGDHPJQXCIMJLY-UHFFFAOYSA-N 319.369 -0.670 30 20 DBED CNS(=O)(=O)CCNS(=O)(=O)c1ccc(C#N)cc1 221088554 BSWFDTRGTTWKME-UHFFFAOYSA-N 303.365 -0.614 30 20 DBED C/N=C(/NCCN1CCC1)N1CCN(C[C@@H]2CCOC2)CC1 261725640 LDZMXXGZERMMQF-HNNXBMFYSA-N 309.458 -0.078 30 20 DBED C/N=C(/NCC(=O)N(C)C)N1CCN(c2ncccn2)CC1 262537674 KIJUVRFRXWQKLE-UHFFFAOYSA-N 305.386 -0.738 30 20 DBED CC(C)[C@H](C#N)NC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C 264768834 NVCOCIOFRSYBQL-NSHDSACASA-N 315.333 -0.090 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)c2ccn(C)c2)CC1 268605908 KWUQKUCCBAJEQE-UHFFFAOYSA-N 302.378 -0.078 30 20 DBED C[C@@H](CO)NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 269335535 BLJQDHSLGCRHJR-JTQLQIEISA-N 311.363 -0.011 30 20 DBED C=CCNC(=O)CNC(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 271986837 OXNMMAQWIIRSCA-NUZBWSBOSA-N 317.345 -0.788 30 20 DBED CC(=O)c1ccc(C#N)c(N2CCN3C(=O)C(=O)NC[C@H]3C2)c1 272573811 UEWUHCXGALICAI-ZDUSSCGKSA-N 312.329 -0.092 30 20 DBED CS(=O)(=O)C1(CNS(=O)(=O)c2cccnc2C#N)CC1 280340154 VOHYYBNGAUKJLA-UHFFFAOYSA-N 315.376 -0.191 30 20 DBED O=C(CC1(CC(=O)NCC#CCO)CCCC1)NCC#CCO 282931456 OVHUZWNERQXPGV-UHFFFAOYSA-N 320.389 -0.449 30 20 DBED O=C1CCC(=O)N1CC/N=C(/O)NC[C@@]1(O)CCSC1 330092518 QSQWPHKIYYTEQN-LBPRGKRZSA-N 301.368 -0.493 30 20 DBED O=C(C/N=C(/O)[C@H]1COCCN1CC(F)F)N1CCOCC1 330127516 MXZXMHQOXJLZTB-SNVBAGLBSA-N 321.324 -0.232 30 20 DBED C/N=C(/O)NC(=O)[C@H](C)N1CCC([C@@H](O)C(=O)OC)CC1 331271913 NPUPGQMMTWNAHJ-WCBMZHEXSA-N 301.343 -0.719 30 20 DBED N#CCNC(=O)CNC(=O)NC[C@@H]1CCN(CC(F)(F)F)C1 344318424 NZZZKUVLVFMOMN-VIFPVBQESA-N 321.303 -0.190 30 20 DBED C[C@@H]1CN(S(=O)(=O)CCCC#N)CCN1S(C)(=O)=O 345261350 VFJWIPKQKPGJAP-SNVBAGLBSA-N 309.413 -0.414 30 20 DBED C[C@H](C#N)NC(=O)CNS(=O)(=O)c1c[nH]c2ncccc12 346309083 OUBJEZCSKLKALA-MRVPVSSYSA-N 307.335 -0.131 30 20 DBED C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)nc2)C[C@@H](C(N)=O)O1 347824817 LYWNGDXFIBSZQW-KCJUWKMLSA-N 310.335 -0.783 30 20 DBED Cc1cc(NC(=O)C(=O)NC[C@@](C)(O)C(C)C)nn1CCC#N 349284707 SKRONXGSVFXDJV-OAHLLOKOSA-N 321.381 0.567 30 20 DBED CN(C)S(=O)(=O)CCCCS(=O)(=O)NC1(C#N)CC1 349570909 YFZZHRMQHLOGEI-UHFFFAOYSA-N 309.413 -0.366 30 20 DBED C[C@H]1C[C@@H](O)CN1C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N 351050294 CRVTXCXGGMVAFS-GXSJLCMTSA-N 319.365 0.430 30 20 DBED COCCN(CCC#N)S(=O)(=O)NC[C@@H](CO)C1CC1 352558977 FOBHKKTYLMOKCK-LBPRGKRZSA-N 305.400 -0.299 30 20 DBED CN(C[C@H](O)C(F)(F)F)C(=O)NCCn1cnc(C#N)n1 357854117 BTIKDFXMWQNHCC-ZETCQYMHSA-N 306.248 -0.286 30 20 DBED CS(=O)(=O)[C@@H]1CCCN(C(=O)CNc2ccc(C#N)cn2)C1 359721018 IMMAANZSEDHUBO-GFCCVEGCSA-N 322.390 0.401 30 20 DBED C=CCNC(=O)c1ccc(N2CCCN(CC(N)=O)CC2)nc1 365254541 DQHORZXHALVNTC-UHFFFAOYSA-N 317.393 -0.005 30 20 DBED C#C[C@H](NC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)C(C)C 366849748 JCNVNFOXYWUCOM-CABCVRRESA-N 321.421 -0.059 30 20 DBED C=CCn1cc(CNC(=O)N2CCO[C@@H](CC(=O)OC)C2)nn1 425884827 XLRWAUPQNRSUNF-LBPRGKRZSA-N 323.353 -0.062 30 20 DBED COCCN(CC(=O)OC)S(=O)(=O)c1cccnc1C#N 428263259 BPZWTEROYCRLEJ-UHFFFAOYSA-N 313.335 -0.237 30 20 DBED C=CCOC[C@H](NC(=O)c1nc2nccc(C)n2n1)C(=O)OC 435141678 QKQZJPBPTNGPQC-JTQLQIEISA-N 319.321 -0.093 30 20 DBED C=CC(C)(C)CNC(=O)N1CCN(C(=O)Cn2cnnn2)CC1 458992286 VOGKPFDEVYVSCS-UHFFFAOYSA-N 321.385 -0.261 30 20 DBED C#CCNC(=O)C1CCN(CCN2C(=O)NC(C)(C)C2=O)CC1 491154281 HZEZAIDQIIIQPP-UHFFFAOYSA-N 320.393 -0.222 30 20 DBED C#CCNC(=O)C1CCN(C(=O)N[C@H]2C(=O)NCC[C@H]2C)CC1 491626898 JGMSIERLQPSYOD-DGCLKSJQSA-N 320.393 -0.318 30 20 DBED COC[C@@H]1CN(C(=O)C(=O)Nc2cccc(C#N)n2)CCO1 516060784 GDNFNCWADGBEFC-NSHDSACASA-N 304.306 -0.234 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C)[C@H]2CCCOC2)C1=O 543732329 LFVAUZMBJNCDDD-QWRGUYRKSA-N 323.349 -0.106 30 20 DBED C=CCCCNC(=O)C(=O)N1CCC[C@H](S(=O)(=O)NC)C1 583046850 KZXHFPNFMWTTPP-NSHDSACASA-N 317.411 -0.391 30 20 DBED CC(C)[C@@H]1CN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CCN1 595411949 JLUCWBPNJVOVSL-RYUDHWBXSA-N 302.400 -0.615 30 20 DBED CNc1ccc(C#N)cc1NC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 597603815 ATOVZXCAYBOECB-MGPQQGTHSA-N 303.318 -0.049 30 20 DBED CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)c1ncc(C#N)cc1C 598020782 NDCRCEANLAKFAI-GHMZBOCLSA-N 309.347 -0.197 30 20 DBED CC(C)[C@@H](C#N)N1CCN(CC(=O)N2CCNC(=O)C2)CC1 609487076 WKZYFLDGQWEYNM-CYBMUJFWSA-N 307.398 -0.889 30 20 DBED CC#CC[C@H](CO)NC(=O)CN(C)c1ncnc2[nH]cnc12 649189512 HKHAPNZYTHNOGE-SNVBAGLBSA-N 302.338 -0.320 30 20 DBED Cn1nccc1NC(=O)C(=O)NCCNc1ncccc1C#N 746376365 DXNISWWAPVAPPG-UHFFFAOYSA-N 313.321 -0.146 30 20 DBED N#CCCCOC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 748473833 YEWKNQQQPHXVEM-UHFFFAOYSA-N 314.323 -0.761 30 20 DBED N#CCCNC(=O)COC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 751679900 SAWWUBZYMVLWIS-VIFPVBQESA-N 305.294 -0.664 30 20 DBED CNC(=O)[C@H](O)CNS(=O)(=O)c1cccc(F)c1C#N 757723151 AISRDLYHOIUZFQ-SECBINFHSA-N 301.299 -0.917 30 20 DBED COC(CN(CCCO)S(=O)(=O)N(C)CCC#N)OC 773309122 KUNKLANVWRSIDJ-UHFFFAOYSA-N 309.388 -0.620 30 20 DBED C#C[C@H](NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1)[C@H]1CCCO1 775339045 FHXXIQYMJZWENG-MELADBBJSA-N 307.394 -0.307 30 20 DBED CN1CCN(CC(=O)NCCNc2ccc(C#N)cn2)CC1=O 780336532 KATNNPMPHGELLE-UHFFFAOYSA-N 316.365 -0.745 30 20 DBED C#CCC[C@H](O)CNS(=O)(=O)N1CCC2(CC1)OCCO2 798486350 QDPIAXQPDOAODG-LBPRGKRZSA-N 318.395 -0.566 30 20 DBED C#C[C@H](NC(=O)C(=O)NCc1cnn(C)c1C)[C@@H]1CCCO1 805699575 MUPCCRJXJCTRQE-STQMWFEESA-N 304.350 -0.358 30 20 DBED Cn1nncc1NC(=O)N(CCC#N)CCN1CCOCC1 809900427 BAEXZTJRSBIIGO-UHFFFAOYSA-N 307.358 -0.105 30 20 DBED C#CC1CCN(C(=O)NCCNS(=O)(=O)NC(C)C)CC1 826645330 VIOOUQXDZDRIGT-UHFFFAOYSA-N 316.427 -0.126 30 20 DBED C#CC[C@@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)C(=O)OC 837949846 ZEFHXEGJTZHJPD-CYBMUJFWSA-N 313.313 -0.031 30 20 DBED C#CC[C@@H]1NC(=O)N(CCNS(=O)(=O)c2ccccc2)C1=O 842237681 WAYXHXQEKKCUMW-LBPRGKRZSA-N 321.358 -0.091 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N1CCNC(=O)C[C@H]1C 875600195 WMCFQHDRBJLTPV-NEPJUHHUSA-N 309.366 -0.732 30 20 DBED C#CC[C@H](CCOC)NC(=O)N1C[C@@H](O)C[C@H](C(=O)OC)C1 875915067 RXDCGFBDUBTLOJ-XQQFMLRXSA-N 312.366 -0.020 30 20 DBED C#CCN1CCC[C@H](NC(=O)NCC2(S(C)(=O)=O)CC2)C1 884311966 RSAZFFFPZKLYNG-LBPRGKRZSA-N 313.423 -0.040 30 20 DBED C#C[C@H](NC(=O)[C@@]1(OC)CCS(=O)(=O)C1)[C@H]1CCCO1 890028439 MMVXMRFUIVIFNK-DMDPSCGWSA-N 301.364 -0.513 30 20 DBED C#CC1(O)CN(C(=O)CNS(=O)(=O)c2cccc(F)c2)C1 890519307 KDDUVVGRTSMLJS-UHFFFAOYSA-N 312.322 -0.690 30 20 DBED N#C[C@H]1CN(C(=O)NCCN2CCNCC2)CCN1C1CC1 891973784 XQVQILMXCNQIAF-AWEZNQCLSA-N 306.414 -0.727 30 20 DBED Cc1nc(CC(=O)N2CCCN(C(=O)[C@H](C)C#N)CC2)n[nH]1 940999997 ZIEXHPFCAYWGLR-SNVBAGLBSA-N 304.354 -0.124 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CNC(=O)[C@@H]2COC(=O)N2)CC1 949390463 GDOOBLUUVLYUFP-ONGXEEELSA-N 308.338 -0.391 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]1CNC(=O)c1cc(C(N)=O)ccn1 951034350 XNZJWNAJJNZYTE-MWLCHTKSSA-N 315.333 -0.329 30 20 DBED C#Cc1cncc(C(=O)NC[C@H]2CCN2C(=O)c2cnn(C)n2)c1 952012501 SBTYBXWNOZWUHD-CYBMUJFWSA-N 324.344 -0.164 30 20 DBED C[C@H](C#N)C(=O)N1CC(N(C)C(=O)[C@@H]2CCCN(C(N)=O)C2)C1 954755786 UCTDAQLOWBWLQH-GHMZBOCLSA-N 321.381 -0.394 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N(C)C(=O)c2[nH]nnc2C)C1 954946415 SNVNNORURLKUFI-NEPJUHHUSA-N 319.365 -0.013 30 20 DBED CC#CCN1C[C@@H](O)[C@H](CNC(=O)c2cn3c(n2)COCC3)C1 958179637 PWFHDEAHJVAIDV-TZMCWYRMSA-N 318.377 -0.541 30 20 DBED C#CCCN1C[C@@H](O)[C@H](CNC(=O)c2cn(C)ccc2=O)C1 958250142 XQGWGVUNJZCOIR-IUODEOHRSA-N 303.362 -0.569 30 20 DBED N#CCN1C[C@H]2[C@H](NC(=O)C3CC4(C3)CS(=O)(=O)C4)[C@H]2C1 960547359 KNHQKDHVJITCNL-GDNZZTSVSA-N 309.391 -0.619 30 20 DBED C#CCCN1C[C@H]2[C@H](NC(=O)c3coc(S(N)(=O)=O)c3)[C@H]2C1 960620220 IETXDKHMVQFMRM-PJXYFTJBSA-N 323.374 -0.390 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H]2CN(C(=O)c3cnn[nH]3)C[C@@H]21 960878342 MQXLBSNGPHSAOP-INTQDDNPSA-N 304.310 -0.984 30 20 DBED CS(=O)(=O)c1ccc(C(=O)N[C@H]2[C@@H]3CN(CC#N)C[C@@H]32)o1 961933038 QBXSEDFRRKIPKS-GDGBQDQQSA-N 309.347 -0.133 30 20 DBED Cc1cc(C(=O)N[C@@H]2COC3(C2)CN(C(=O)[C@H](C)C#N)C3)n[nH]1 965637850 KIPZICPMKOWLGE-KOLCDFICSA-N 317.349 -0.023 30 20 DBED C=CCCn1cc(C(=O)N[C@@H]2CN(CC(N)=O)CC[C@@H]2C)nn1 968408221 BQJZREDHGIQYLR-NWDGAFQWSA-N 320.397 -0.220 30 20 DBED C#CCOc1ncccc1C(=O)N[C@@H](C)C1CN(CC(N)=O)C1 970759254 DEZXZJIWPXFXBO-NSHDSACASA-N 316.361 -0.371 30 20 DBED CC#CCN1C[C@H](NC(=O)Cn2ccc(O)nc2=O)C(C)(C)C1 974784597 RIUVVTLCDYJVIC-LBPRGKRZSA-N 318.377 -0.201 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]2CCN(C(=O)Cc3nc[nH]n3)[C@H]2C1 975966708 HQVWHOKWEOQXCW-WOPDTQHZSA-N 316.365 -0.044 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]1CN(C)C(=O)c1cc(=O)n(C)cn1 977933287 YVPDOQBFFIOIKG-GHMZBOCLSA-N 317.349 -0.387 30 20 DBED Cc1cc(C(=O)NCC2[C@@H]3CN(CC#N)C[C@@H]23)ncc1C(N)=O 978747145 POVAESUWSHZIHM-STQMWFEESA-N 313.361 -0.080 30 20 DBED C#CCN[C@H]1CCN(C(=O)c2cn(CC(=O)N(C)C)nn2)[C@H]1C 987573372 APPZUBBCLXUMKW-RYUDHWBXSA-N 318.381 -0.808 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@@H](NC(=O)Cn2nccn2)[C@H](O)C1 991505217 WTZWJPITYVDCBP-VXGBXAGGSA-N 321.381 -0.432 30 20 DBED C#Cc1ccc(C(=O)NCC2CC(NC(=O)C(N)=O)C2)cn1 992264324 SSPCGKUIUJHRJM-UHFFFAOYSA-N 300.318 -0.827 30 20 DBED C=CCn1cc(C(=O)NCC2CN(C(=O)c3ncc[nH]3)C2)nn1 1001960549 LRWOFPZZZLOQKM-UHFFFAOYSA-N 315.337 -0.311 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CC[C@H]1CN2C(=O)C1(C(N)=O)CC1 1007492225 IKXNLPOWZVIFPK-OUAUKWLOSA-N 304.350 -0.387 30 20 DBED C#CCN1CCC[C@H](NC(=O)C2CC3(C2)NC(=O)NC3=O)C1 1008843886 FNKGKSBSPBQSFB-VTWZXRTESA-N 304.350 -0.812 30 20 DBED C[C@H]1[C@@H](NC(=O)c2c[nH]c(=O)cn2)CCN1C(=O)C#CC1CC1 1011739867 VLBMERWTADVVQJ-JQWIXIFHSA-N 314.345 -0.098 30 20 DBED C[C@H]1C[C@H](NC(=O)c2cnn(C)n2)CN1C(=O)C#CC1CC1 1012579983 AUVQWKRBMUKLHF-JQWIXIFHSA-N 301.350 -0.052 30 20 DBED C=CCN1CC[C@H](NC(=O)Cn2nc3n(c2=O)CCCC3)C1 1015954650 VFDWKMGRIJVBHP-LBPRGKRZSA-N 305.382 -0.242 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](NCc2cc(=O)n3nccc3[nH]2)C1 1018631676 HOXNUYHUNCIKLN-QWRGUYRKSA-N 314.349 -0.127 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H](NCc2nnn(C)n2)C1 1020726664 QZXHICZMPKRXIN-MNXVOIDGSA-N 320.397 -0.072 30 20 DBED N#CCN1[C@H]2CC[C@H]1CC(NC(=O)[C@@H]1CC(=O)NC(=O)N1)C2 1021395383 IBGBNPFWKKDANE-DCAQKATOSA-N 305.338 -0.780 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CCN(C(=O)c3cnnn3C)[C@@H]2C1 1021512931 SHHLUJPSORBUPT-JFGNBEQYSA-N 302.338 -0.352 30 20 DBED N#CCN1CC[C@@H]2[C@H](CCCN2C(=O)C2CS(=O)(=O)C2)C1 1021595630 CKUVQLSDCZJLRS-DGCLKSJQSA-N 311.407 -0.133 30 20 DBED C#CCCN1CCC[C@@H](CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 1023590999 MACIMNPDRGLALO-MELADBBJSA-N 307.394 -0.129 30 20 DBED N#CCN[C@@H]1CC[C@H]2CN(C(=O)Cn3c(O)nnc3O)C[C@H]21 1026406976 IICFXZMHSFSTDM-IVZWLZJFSA-N 306.326 -0.961 30 20 DBED C#CCN1[C@H]2CC[C@H]1CN(C(=O)Cn1nc(C)n(C)c1=O)C2 1029569740 DJEHUNGNHNTABS-STQMWFEESA-N 303.366 -0.801 30 20 DBED N#Cc1ccc(F)c(CN2CC(NC(=O)Cn3cnnn3)C2)c1 1030089899 GAHGROAXTXFPDK-UHFFFAOYSA-N 315.312 -0.316 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)Cn3cncc3C)C2)C1=O 1030684019 ITZPZVNCIWQBCC-AWEZNQCLSA-N 317.393 -0.221 30 20 DBED Cc1nc2n(n1)C[C@@H](C(=O)N1C[C@@H]3C[C@H]1CN3CC#N)CC2 1032535410 INPKFGINHXLZOT-AVGNSLFASA-N 300.366 -0.042 30 20 DBED C#CCN1CCO[C@H](CNC(=O)[C@@H]2CCc3nccn3C2)C1 1035418085 AFDNOHQDFMCIDC-ZIAGYGMSSA-N 302.378 -0.104 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2CN(CCCO)CCO2)nn1 1035534827 COCGLCBDGCDDMZ-GFCCVEGCSA-N 309.370 -0.723 30 20 DBED C#CCN1CC2(CCN(C(=O)C[C@H]3CC(=O)NC3=O)CC2)C1 1035862126 FPYNIERSNFJFCS-GFCCVEGCSA-N 303.362 -0.403 30 20 DBED Cn1nnnc1CN1C[C@H]2C[C@H]1[C@H]2NC(=O)c1ccc(C#N)[nH]1 1037364394 GNZMSBXOLCNLJX-WLTAIBSBSA-N 312.337 -0.587 30 20 DBED C=C(Cl)CN1C[C@H]2C[C@H]1[C@H]2NC(=O)Cn1ncn(C)c1=O 1037475909 MPQHELGDYGKILN-SCVCMEIPSA-N 311.773 -0.477 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@]1(O)CCN(C(=O)c2cnco2)C1 1039579798 KGLYEYIFBHVATN-LSDHHAIUSA-N 323.349 -0.305 30 20 DBED CC(C)C#CC(=O)NC[C@@]1(O)CCN(C(=O)Cc2cc[nH]n2)C1 1039664858 YRLPSBBCDFPNIG-INIZCTEOSA-N 318.377 -0.309 30 20 DBED Cn1nccc1C(=O)N1CC[C@@](O)(CNC(=O)C#CC2CC2)C1 1039677064 DDICOCPZEFXOND-MRXNPFEDSA-N 316.361 -0.473 30 20 DBED C[C@@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)C2CCOCC2)C1 1040762237 GWKUINDQDCFDHP-XHDPSFHLSA-N 309.366 -0.348 30 20 DBED Cc1ncncc1C(=O)N1CC[C@](O)(CNC(=O)[C@H](C)C#N)C1 1040764622 XBXAFTFTMSGKJA-BMIGLBTASA-N 317.349 -0.362 30 20 DBED N#Cc1cccnc1N1C[C@@H](O)[C@H](NC(=O)c2ccnnc2)C1 1041357263 BCRUGTJHYNTRQA-CHWSQXEVSA-N 310.317 -0.277 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)c2cc[n+]([O-])cc2)C1 1041952403 RMTJXOJCVZLOHG-UHFFFAOYSA-N 305.334 -0.411 30 20 DBED C[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1NC(=O)[C@H]1CCNC1=O 1042401576 WLGJCIMTQRLUQS-OUAUKWLOSA-N 314.349 -0.575 30 20 DBED O=C(C#CC1CC1)NCC1(O)CN(C(=O)C[C@@H]2CCOC2)C1 1042958361 LHBVTJNRDBHSSC-ZDUSSCGKSA-N 306.362 -0.484 30 20 DBED CC(C)(C)C#CC(=O)NCC1(O)CN(C(=O)c2ccncn2)C1 1042965921 MDEVYMTWPVIYDH-UHFFFAOYSA-N 316.361 -0.171 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)CC2CCN(C)CC2)C1 1043025452 QBPDNQZYIQMNHL-GFCCVEGCSA-N 322.409 -0.433 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)C2=CCCC2)C1 1043039959 KYVUEOWIZBLRMD-LBPRGKRZSA-N 306.362 -0.176 30 20 DBED C=CCCOCC(=O)NCC1(O)CN(C(=O)c2cc[nH]n2)C1 1043567010 XWJGEQITZXUONM-UHFFFAOYSA-N 308.338 -0.695 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)[C@H]2CCN(C)C2=O)C1 1044463908 IRUNYSKQJXUUTF-NSHDSACASA-N 323.393 -0.634 30 20 DBED CC#CCN1CC[C@@H](N2CCN(C(=O)[C@H]3CCNC3=O)CC2)C1 1046049587 SGMDCGYEKVKMPF-CABCVRRESA-N 318.421 -0.636 30 20 DBED C=CCN1CC[C@@H](N2CCN(C(=O)C3(C(N)=O)CC3)CC2)C1 1046059080 YLPFPYOKFNHGNC-CYBMUJFWSA-N 306.410 -0.344 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1C[C@@H](CNC(=O)[C@H]2CCNC2=O)C1 1046529730 RQYDPTXRIORTMV-UHTWSYAYSA-N 313.361 -0.182 30 20 DBED C#CCOCCC(=O)N(C)[C@H]1CN(C(=O)[C@H]2CC23CC3)C[C@@H]1O 1048847395 ITLZKZBEYWYFRR-RDBSUJKOSA-N 320.389 -0.144 30 20 DBED N#CCN1C[C@H]2CN(C(=O)c3cn4c(n3)COCC4)C[C@H]2C1 1048891414 MXGWNFKGRXDVKZ-TXEJJXNPSA-N 301.350 -0.059 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCN(Cc3nnn(C)n3)CC2)C1 1050463740 ZBZUZVWFJJWPTE-NSHDSACASA-N 303.370 -0.206 30 20 DBED C#CCCN1CCOC[C@@H]1CNC(=O)c1cccn2nnnc12 1050935157 WDMKXBPHYJFURM-LBPRGKRZSA-N 314.349 -0.422 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)c1cn([C@H]2CCOC2)nn1 1051201254 CGHIZURMJBUTHJ-STQMWFEESA-N 319.365 -0.697 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)[C@H]1CCc2nn[nH]c2C1 1051209790 NJKWPKHQOYFYRT-NWDGAFQWSA-N 303.366 -0.640 30 20 DBED N#Cc1nc(=NC2CC(CNC(=O)[C@@H]3CCC(=O)N3)C2)cc[nH]1 1051972116 RZUZUBVDQDYWPL-ILDUYXDCSA-N 314.349 -0.645 30 20 DBED C=CCN1CC2(C1)CN(C(=O)[C@@H]1COCCN1CC)CCO2 1053321937 QUABLFNYSPIJIJ-AWEZNQCLSA-N 309.410 -0.194 30 20 DBED CN1C(=O)CC[C@H]1CC(=O)N[C@@H]1COC2(C1)CN(CC#N)C2 1053889354 IBUOTICWHXLPQW-RYUDHWBXSA-N 306.366 -0.520 30 20 DBED C=C(C)CN1CC2(C[C@@H](NC(=O)Cn3c(O)nnc3O)CO2)C1 1053993981 ZFGHBKGGXHBSLP-SNVBAGLBSA-N 323.353 -0.775 30 20 DBED COCCC(=O)NCCN1CCC(NC(=O)[C@H](C)C#N)CC1 1055477510 MYNPDWJMDNIQJC-GFCCVEGCSA-N 310.398 -0.121 30 20 DBED C#CCOCCC(=O)NCCN(CCO)C(=O)c1ccccn1 1056794895 SSBRRXZQGGLCCB-UHFFFAOYSA-N 319.361 -0.328 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)c1nc(C)c[nH]1 1057198315 WDRDYHGBRXAMSR-UHFFFAOYSA-N 310.354 -0.529 30 20 DBED C=C[C@H](C)[C@@H](C)C(=O)NCCN(CCO)C(=O)c1cn(C)nn1 1057495841 SUYRZNUWPJMYGJ-NWDGAFQWSA-N 323.397 -0.176 30 20 DBED Cc1nc[nH]c1CC(=O)N(CCO)CCNC(=O)C#CC1CC1 1058263392 JBONQRGOWHMSCV-UHFFFAOYSA-N 318.377 -0.389 30 20 DBED C=C(C)C(C)(C)C(=O)NCCN(CCO)C(=O)c1nc[nH]n1 1058388971 UKDHSWOBYNQPQG-UHFFFAOYSA-N 309.370 -0.042 30 20 DBED N#Cc1cnc(N[C@H]2CCN(C(=O)C[C@@H]3CCNC3=O)C2)cn1 1058982763 DSSKHFMCIDSCTK-QWRGUYRKSA-N 314.349 -0.113 30 20 DBED C#CCCCC(=O)N1CC[C@H](CCNC(=O)c2nnn(C)n2)C1 1059553037 KKRQUOKBMMKLHU-LBPRGKRZSA-N 318.381 -0.018 30 20 DBED N#Cc1nc(=NC[C@H]2CCN(C(=O)[C@H]3COCCO3)C2)cc[nH]1 1060821158 SEYBSVMWQXDZBN-VXGBXAGGSA-N 317.349 -0.554 30 20 DBED N#Cc1ccc(N2CCC[C@H]2CNC(=O)[C@@H]2CCNC2=O)nn1 1061422463 IYOUNIRDNSXCGL-NWDGAFQWSA-N 314.349 -0.431 30 20 DBED C#CCOCCC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1CCOC1 1061581812 UTVMBCLUEJQZQZ-ZIAGYGMSSA-N 324.377 -0.594 30 20 DBED C#CCNC(=O)CC(=O)NCC1(NC(=O)CCCOC)CCC1 1062829164 BWBPCZJSZAFKJA-UHFFFAOYSA-N 323.393 -0.292 30 20 DBED N#Cc1nc(=NC[C@H]2CCC[C@@H]2NC(=O)c2cnn[nH]2)cc[nH]1 1064150584 VTWNDLYWXDCGEO-ZJUUUORDSA-N 312.337 -0.101 30 20 DBED N#Cc1nccc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)C2=COCCO2)n1 1064212664 SSTZRCXQTDYXIS-ISTVAULSSA-N 313.317 -0.070 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CN(C(=O)c2cn(C)cn2)CCO1 1065046432 QCFPNKAPEYGPEJ-GHMZBOCLSA-N 305.338 -0.463 30 20 DBED C#CCCCC(=O)N1CCO[C@H](CNC(=O)c2cnnn2C)C1 1065092918 OFXXZLBDNRLLGL-GFCCVEGCSA-N 319.365 -0.424 30 20 DBED C[C@]1(CN=c2cc[nH]c(C#N)n2)CCN(C(=O)CC(N)=O)C1 1065403002 MQIFWTRRODOENN-CQSZACIVSA-N 302.338 -0.704 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H]1CN(C(=O)[C@H]2C[C@@H]2C)CCO1 1065462051 VZECCRKOXVYIJA-AVGNSLFASA-N 321.377 -0.875 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CCCN(C(=O)Cn2ncnn2)CC1 1066147333 HYDIDKRFXYZLQB-CYBMUJFWSA-N 318.381 -0.170 30 20 DBED N#Cc1cnc(NCC2CC(NC(=O)[C@@H]3CNC(=O)N3)C2)cn1 1067883453 OIWXCTAKRVDUOD-AMUVOQDHSA-N 315.337 -0.664 30 20 DBED C=CCCC(=O)N1CCOC2(C1)CN(C(=O)[C@H]1COC(=O)N1)C2 1068346530 UFSAKSAVFKBDLV-LLVKDONJSA-N 323.349 -0.499 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC2(C1)CN(C(=O)[C@H](C)CC(N)=O)C2 1068450817 YXLVKQPPDQZZTB-MNOVXSKESA-N 322.365 -0.903 30 20 DBED C=CCOCC(=O)N[C@H]1COC2(C1)CN(C(=O)[C@@H](C)C#N)C2 1068764360 OZWWKGVYDOHITK-NWDGAFQWSA-N 307.350 -0.165 30 20 DBED CCn1ccnc1C(=O)N1C[C@H](n2ccnn2)[C@H](NCC#N)C1 1070186987 ZYBJNLBTBQPSMB-NEPJUHHUSA-N 314.353 -0.327 30 20 DBED CN1CCO[C@H](C(=O)N2CCC[C@@H](NC(=O)C#CC3CC3)C2)C1 1070586082 XABRDASSOAWHPL-CABCVRRESA-N 319.405 -0.162 30 20 DBED C=CCN1CC[C@H](N2CCNC(=O)CCN(C(C)=O)CC2)C1=O 1070926561 INSAJAUSEMEHQP-AWEZNQCLSA-N 322.409 -0.556 30 20 DBED CCS(=O)(=O)CC(=O)N[C@@H]1CCCN(C(=O)[C@H](C)C#N)C1 1071228994 FHAFVYRQGILFJH-GHMZBOCLSA-N 315.395 -0.312 30 20 DBED C=CCn1cc(C(=O)N2CC3(CCN(C[C@@H](C)O)C3)C2)nn1 1073043092 NVRKXIPYHPFKNC-GFCCVEGCSA-N 305.382 -0.007 30 20 DBED N#CCN1CCCO[C@H](CNC(=O)[C@@H]2CCc3nncn3C2)C1 1073901744 DEFJGBHWCHDPPS-CHWSQXEVSA-N 318.381 -0.429 30 20 DBED CC(C)N(C)CC(=O)NCC1(O)CCN(C(=O)[C@H](C)C#N)CC1 1074705862 BNKARCYCQOBYDD-CYBMUJFWSA-N 324.425 -0.044 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)[C@H]1CCCN1C 1075940907 GUIWSEKOHWYPCS-QWHCGFSZSA-N 322.409 -0.769 30 20 DBED C[C@@H](CCNC(=O)c1cc(C#N)c[nH]1)NC(=O)[C@@H]1COC(=O)N1 1076070969 FUWAZRGSPFFGEL-KWQFWETISA-N 319.321 -0.381 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCN2C2CCOCC2)C1 1077128810 GDXPOWUDTDZYJT-BZUAXINKSA-N 321.421 -0.576 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2Cc3cc(F)ccc3O2)C1 1077767491 DNRNOZLMWQNRMF-YRGRVCCFSA-N 305.309 -0.186 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)CN2Cc3ccccc3C2=O)C1 1078027723 FHRNIHPBOALCIE-HUUCEWRRSA-N 313.357 -0.563 30 20 DBED C[C@H](C#N)C(=O)N1CCCO[C@H](CNCc2cn(C)nn2)C1 1078358744 WBMHEWHGMQRUGV-DGCLKSJQSA-N 306.370 -0.318 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCC[C@H](N(C)C(=O)C(N)=O)CC1 1079052520 PJOOVIHFLNMSOF-NHYWBVRUSA-N 311.382 -0.362 30 20 DBED C=CCOCC(=O)N(CC)C1CN(C(=O)CNC(=O)OC)C1 1079490645 YDYJANIPJMRCRY-UHFFFAOYSA-N 313.354 -0.396 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)Cc2ccoc2)C1 1081428879 XHFKHWURMRANMM-UONOGXRCSA-N 322.361 -0.040 30 20 DBED C#CCN1C[C@@H](NC(=O)c2ccc(=O)n(CC)n2)[C@H](OC)C1 1082252986 UMTGAERRLQDJJM-CHWSQXEVSA-N 304.350 -0.675 30 20 DBED C=CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CCn1ncn(C)c1=O 1083152799 XWMJCABNLRSFKR-QWHCGFSZSA-N 321.381 -0.931 30 20 DBED C=CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H](C)N1CCOCC1 1083293591 MJPOHXZQYZLYER-SOUVJXGZSA-N 309.410 -0.195 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCn3cc(C)nc3C2)C1 1083568556 DLDMCFUDNRCXQI-MJBXVCDLSA-N 302.378 -0.452 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)Cc2cccc(OCC)n2)C1 1083658306 RIEZRNYNBQIIGT-KGLIPLIRSA-N 303.362 -0.183 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 1083775863 LZZDDEXUUIGMKJ-MROQNXINSA-N 311.382 -0.853 30 20 DBED CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N(C)C[C@@H]2CCN2CC#N)O1 1085817557 BJVZZEJUAFQWRW-RWMBFGLXSA-N 308.382 -0.322 30 20 DBED N#CCN[C@@H]1CC[C@H](CNC(=O)[C@H]2CCS(=O)(=O)N2)C1 1086878661 YPUKHWAVLFFTCV-HBNTYKKESA-N 300.384 -0.924 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(CC(=O)N(C)C)[C@@H]1C 1088630893 GIQOUUILXULLLA-ILXRZTDVSA-N 320.437 -0.249 30 20 DBED C[C@H](C[C@@H](C)Nc1cnc(C#N)cn1)NC(=O)CNC(N)=O 1089214867 KYQQMPQGPLEILB-RKDXNWHRSA-N 305.342 -0.288 30 20 DBED CCN(c1cncc(C#N)n1)[C@H](C)CNC(=O)CC(=O)NC 1089629440 IRNNQJWDWXIZBQ-SNVBAGLBSA-N 304.354 -0.185 30 20 DBED CNC(=O)CC(=O)NCCC1(CN=c2cc[nH]c(C#N)n2)CC1 1089929362 MNTZQHIPWALZAH-UHFFFAOYSA-N 316.365 -0.395 30 20 DBED COCCOCC(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@H]1O 1090404130 ILMLYFVHUMTCJG-CHWSQXEVSA-N 320.349 -0.718 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2ncc(OC)cn2)[C@H](O)C1 1090419183 FKSWLAFAMGZUOJ-CHWSQXEVSA-N 304.350 -0.327 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2cc(=O)c(OC)c[nH]2)[C@H](O)C1 1090433135 PBFRCSPJHZZLDX-BXUZGUMPSA-N 319.361 -0.428 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1O 1090490383 RZBSJMOXCHXNIO-RAIGVLPGSA-N 315.333 -0.948 30 20 DBED COC[C@@H](OC)C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1C 1090820855 HEDJZRRCXUWNGK-IJLUTSLNSA-N 319.365 -0.049 30 20 DBED N#Cc1cnc(N2C[C@H](O)[C@H](NC(=O)CC3(O)CCC3)C2)cn1 1091097441 HYQJEDCLUFPPPP-NEPJUHHUSA-N 317.349 -0.681 30 20 DBED C[C@H](NC(N)=O)C(=O)NC[C@H]1C[C@@H](N=c2cc[nH]cc2C#N)C1 1091339375 DLICRNUHNRKUTM-JBLDHEPKSA-N 316.365 -0.261 30 20 DBED CNC(=O)CC(=O)N[C@H]1CCN(c2ccncc2C#N)C[C@H]1O 1092148171 NWNJNRJGCNVXQS-WCQYABFASA-N 317.349 -0.855 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)[C@@H]3[C@H]4COC[C@H]43)c3nccn32)C1 1092387393 WDOKCPFKLQEVBT-RQJABVFESA-N 312.373 -0.019 30 20 DBED CC(=O)N[C@@H](C)C(=O)N1CCN(c2nccnc2C#N)CC1 1093131226 WZDWIRMFFSVFDE-JTQLQIEISA-N 302.338 -0.479 30 20 DBED C[C@H](C(=O)NCCNc1cnc(C#N)cn1)N1C(=O)CCC1=O 1094201507 HDICFOFPRFGFCF-SECBINFHSA-N 316.321 -0.586 30 20 DBED C[C@@]1(C(=O)NCCN=c2cc[nH]c(C#N)n2)CCNC(=O)C1 1094233429 IVANIXGUNQJZCB-CQSZACIVSA-N 302.338 -0.785 30 20 DBED C#CCN1CCN(C(=O)[C@@H](C)C2CC2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094619132 FUYQVICBFUTDHW-FPMFFAJLSA-N 310.419 -0.025 30 20 DBED C[C@@H]1CN(C)C[C@H](C(=O)NCCCNc2cnc(C#N)cn2)O1 1094867905 CYMANWNBKOJUCF-DGCLKSJQSA-N 318.381 -0.014 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC[C@@H](Nc2nccn3nnnc23)C1 1095038221 XRHHNPYDHSKXIF-YGRLFVJLSA-N 317.353 -0.141 30 20 DBED CC(=O)N[C@H](C)C(=O)NCCCN(C)c1cncc(C#N)n1 1095487435 UFNQOIRLTHADRH-SNVBAGLBSA-N 304.354 -0.185 30 20 DBED CN(CCCNC(=O)[C@H]1CC[C@@H]1C(N)=O)c1nccnc1C#N 1095696424 AJNOKVYGXPSUCS-QWRGUYRKSA-N 316.365 -0.198 30 20 DBED C[C@H](CC(N)=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)nn2)C1 1096218146 CGTVDSCIBHLCHV-ZYHUDNBSSA-N 316.365 -0.055 30 20 DBED CNC(=O)NCCC(=O)N[C@H]1CCN(c2ccc(C#N)nc2)C1 1096366660 IJRZIFYPOAWNBV-LBPRGKRZSA-N 316.365 -0.033 30 20 DBED C[C@H](CC(=O)N[C@@H]1CCN(c2ccnc(C#N)n2)C1)NC(N)=O 1096439977 PKQAVJUGOWJKGO-NXEZZACHSA-N 317.353 -0.510 30 20 DBED CNC(=O)NC(C)(C)C(=O)NC[C@H](C)Nc1ccc(C#N)nn1 1097890786 XYARSNJFNCPKRF-VIFPVBQESA-N 319.369 -0.028 30 20 DBED C#CCNCc1cn([C@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)nn1 1098645639 RZRFSSOJBRCJLZ-GJZGRUSLSA-N 316.409 -0.132 30 20 DBED C[C@H](CCNC(=O)[C@@H]1COC(=O)N1)N=c1cc[nH]c(C#N)n1 1099077547 OUWOBZVOIBBHMV-BDAKNGLRSA-N 304.310 -0.815 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1C(F)(F)F 1099307221 JHLWQCOIZZIYGZ-UTINFBMNSA-N 303.284 -0.280 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(Cc2nnc(C)o2)C[C@H]1O 1099740257 ADFFYMIWGMWHNC-VXGBXAGGSA-N 310.354 -0.368 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2coc(OC)n2)[C@H](O)C1 1099930200 BXTSVODQMCGHQT-DGCLKSJQSA-N 323.349 -0.502 30 20 DBED C#CCN1CC[C@@H](NC(=O)CCCn2ccccc2=O)[C@@H](O)C1 1099944925 SLITZIVXIFJXEI-CABCVRRESA-N 317.389 -0.187 30 20 DBED CCC1(C(=O)N[C@H]2CCN(CC(=O)NCC#N)C[C@H]2O)CC1 1099989947 VUMXFJDUGKTQAP-NWDGAFQWSA-N 308.382 -0.632 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)C2(C)CC(=C)C2)[C@H](O)C1 1099994222 MTLGWSCJKCIASS-ZIAGYGMSSA-N 319.405 -0.357 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCN(CCOCC)C[C@@H]2O)nn1 1100027346 PJCHMJAQFZUCGP-JSGCOSHPSA-N 323.397 -0.334 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)C23CCN(CC2)C3)[C@H](O)C1 1100074161 JTFAFMKEYCUVSX-LSDHHAIUSA-N 323.437 -0.164 30 20 DBED CCN(CCNC(=O)[C@@H](COC)OC)c1nccnc1C#N 1100712606 WZWWZGCPHCDQCU-GFCCVEGCSA-N 307.354 -0.048 30 20 DBED Cc1cc(C#N)nc(N2CC[C@@H](CNC(=O)CC(N)=O)C2)n1 1100948304 MSNAXPXMOKVEBN-JTQLQIEISA-N 302.338 -0.525 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H]2CN(C[C@@H](C)O)C[C@@]2(C)C1 1101207644 LQCCJGXTOKKXJL-IOASZLSFSA-N 307.394 -0.713 30 20 DBED CN(CCNc1nccnc1C#N)C(=O)[C@@H]1COCCN1C 1101564201 IIEROSPGCLQBJK-LBPRGKRZSA-N 304.354 -0.451 30 20 DBED COCC#CCNCC(C)(C)C1CCN(C(=O)C(N)=O)CC1 1101568813 JRCIPNVRMUNOIE-UHFFFAOYSA-N 309.410 -0.024 30 20 DBED COCC#CCN1C[C@@H](C)[C@H](CNC(=O)C2CN(C(C)=O)C2)C1 1101911600 KGDCEFJDHHAYCD-UKRRQHHQSA-N 321.421 -0.201 30 20 DBED C#CCNC(=O)CC(=O)N(C)[C@@H](C)CN=c1cc[nH]c(C#N)n1 1104522880 CITZLTCEMXXWAS-NSHDSACASA-N 314.349 -0.832 30 20 DBED CNC(=O)NCCC(=O)N(C)[C@H](C)CNc1nccnc1C#N 1104546777 GCCZTIBQLPAYPU-SNVBAGLBSA-N 319.369 -0.074 30 20 DBED C=CCCNCc1cn(C2CN(C(=O)COCCOC)C2)nn1 1105197090 GBLQWFJMSIDDIC-UHFFFAOYSA-N 323.397 -0.010 30 20 DBED C#CCNCc1cn(C2CN(C(=O)CN3CCC[C@@H]3C)C2)nn1 1105326735 DKMARHMGBZRQQY-ZDUSSCGKSA-N 316.409 -0.132 30 20 DBED C#CCNC(=O)CC(=O)N(C)CCN(C)c1nc(C)ns1 1105368221 FJJNHPUQVHQMHB-UHFFFAOYSA-N 309.395 -0.119 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC(n2cc(CNCCO)nn2)C1 1105381332 XNZUASPRUQWACV-NSHDSACASA-N 309.370 -0.666 30 20 DBED COCCOCCC(=O)NC[C@@H](O)CNc1ccc(C#N)nn1 1105880719 IYOBTXGQUKZLRM-LBPRGKRZSA-N 323.353 -0.710 30 20 DBED N#Cc1cnc(NC[C@@H](O)CNC(=O)CCCCC(N)=O)cn1 1105957286 BRJRPGWTZMZWPB-LLVKDONJSA-N 320.353 -0.717 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H](O)CN=c1cc(C)[nH]cc1C#N 1105970318 FIXBHZSVBFHQJI-GXTWGEPZSA-N 316.361 -0.389 30 20 DBED N#Cc1c(F)cccc1NC[C@@H](O)CNC(=O)Cn1nccn1 1105984869 BNBVEGGICBRQHU-SNVBAGLBSA-N 318.312 -0.122 30 20 DBED CCN(CCNc1nc(C)cc(C#N)n1)C(=O)Cn1ncnn1 1106851714 KPQSLIJMMJYFTE-UHFFFAOYSA-N 315.341 -0.396 30 20 DBED C#CCN1CC(n2cc(CNC(=O)[C@H](C)n3cccn3)nn2)C1 1107126400 OCCVRXSBOWBCNE-LBPRGKRZSA-N 313.365 -0.158 30 20 DBED C[C@H](CNc1ccc(C#N)cn1)NC(=O)CN1CC(=O)NC1=O 1107878398 VNHBMKHXDJQYHJ-SECBINFHSA-N 316.321 -0.578 30 20 DBED C#CCCN1CCO[C@](C)(CNC(=O)[C@@H]2CC(=O)N(C)C2)C1 1107983566 OAMDEPRJNMDDGE-CZUORRHYSA-N 307.394 -0.305 30 20 DBED COCC#CCN1CCO[C@@](C)(CNC(=O)c2ncccn2)C1 1108294702 JTENBRKPAYGXQK-INIZCTEOSA-N 318.377 -0.053 30 20 DBED C=CCCN1CCO[C@@](C)(CNC(=O)CN2C(=O)CCC2=O)C1 1108386492 FEUORNBUDWMUHD-INIZCTEOSA-N 323.393 -0.081 30 20 DBED COCC#CCN1CC(N2C[C@H](NC(=O)CCOC)CC2=O)C1 1108496309 HIUOWRQOICCTCO-CYBMUJFWSA-N 323.393 -0.926 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)CC3(O)CCC3)CC2=O)C1 1108545055 NJBFNTKQFYRIDV-LBPRGKRZSA-N 305.378 -0.674 30 20 DBED C[C@@H](CN=c1cc[nH]cc1C#N)NC(=O)C1CS(=O)(=O)C1 1108547881 YGOKPBKJNFTJOP-VIFPVBQESA-N 308.363 -0.664 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CN(C)c1ccc(C#N)nn1 1108944551 FINSLMMNLXVWGF-NSHDSACASA-N 314.349 -0.571 30 20 DBED CC(=O)NCC(=O)NC1(C)CCN(c2ccc(C#N)nn2)CC1 1110567325 LAQFHOWZCUDVKD-UHFFFAOYSA-N 316.365 -0.041 30 20 DBED COC[C@H](C)C(=O)N(C)[C@H]1CN(c2nccnc2C#N)C[C@@H]1O 1111175397 COXZDUYLLMZPQX-DRZSPHRISA-N 319.365 -0.361 30 20 DBED CC[C@@H](C(=O)N(CCO)CCNc1cncc(C#N)n1)N(C)C 1111492830 RWZKPWXWYJFUDU-ZDUSSCGKSA-N 320.397 -0.079 30 20 DBED C[C@H](CC(N)=O)C(=O)N(CCO)CCNc1ccc(C#N)nc1 1111534553 CNFWRKMTPJCDMU-LLVKDONJSA-N 319.365 -0.302 30 20 DBED CN(C)CCC(=O)N(CCO)CCNc1nccnc1C#N 1111553664 OUFKOIRMORSASB-UHFFFAOYSA-N 306.370 -0.467 30 20 DBED CCC(=O)NCC(=O)N1C[C@H](C)[C@H](N=c2cc[nH]c(C#N)n2)C1 1112313510 ZKHRJWBLQQPUCF-WDEREUQCSA-N 316.365 -0.445 30 20 DBED CC(C)COCCC(=O)N1CCN(CC(=O)NCC#N)CC1 1112641765 FHPZVVATAUPOSL-UHFFFAOYSA-N 310.398 -0.167 30 20 DBED COCCCC(=O)NC[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1O 1112705880 YUYWQZALJMALDE-DGCLKSJQSA-N 319.365 -0.312 30 20 DBED COCC#CCN1CCN(C(=O)[C@@H]2CC(=O)N[C@@H](C)C2)CC1 1113054032 VJLACHQZCKDTEJ-KBPBESRZSA-N 307.394 -0.305 30 20 DBED C[C@@H](CNC(=O)CCn1cnnn1)N(C)c1ccc(C#N)nc1 1113685830 JYLAXQONPZPXQZ-NSHDSACASA-N 314.353 -0.029 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)c3cnn(C)c3)[C@H]2C1 1113838548 FQBMNDPHBJZUAB-RYUDHWBXSA-N 303.366 -0.618 30 20 DBED C=CCCC(=O)NC1[C@@H]2CN(CC(=O)N3CCOCC3)C[C@@H]12 1114004250 GRHSORHSKANOOF-CHWSQXEVSA-N 307.394 -0.142 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)Cc3cc[nH]n3)[C@H]2C1 1114087980 GIAZAEPAMXYZEI-MUYACECFSA-N 315.377 -0.864 30 20 DBED C[C@@H]1CCN(CC(=O)NC2[C@H]3CN(CC(=O)NCC#N)C[C@H]23)C1 1114832605 UTWFIIUIOJLPBZ-AGIUHOORSA-N 319.409 -0.986 30 20 DBED COCCC[C@H](C)C(=O)NC1[C@H]2CN(CC(=O)NCC#N)C[C@H]12 1115086151 OSSBDZUUYVPERS-AVGNSLFASA-N 322.409 -0.265 30 20 DBED C[C@@H](CN(C)C)NC(=O)NCCN/C(O)=C1\N=CC=CC1=O 1117480664 PHQSJBIAROLOHR-ZFEMDRMUSA-N 309.370 -0.238 30 20 DBED CCc1ncc(NC(=O)C(=O)N2CC[C@](O)(CC#N)C2)cn1 1118205652 LTTGLSGYKLQWGV-CQSZACIVSA-N 303.322 -0.145 30 20 DBED N#CCNC1(CNC(=O)Cn2c(O)nnc2O)CCCCC1 1120068110 CIWHNCDJWDAEGT-UHFFFAOYSA-N 308.342 -0.378 30 20 DBED C[C@H](CN(C)C(=O)[C@H]1CNC(=O)N1)Nc1cnc(C#N)cn1 1120634718 PAJJWPOMSDPLOZ-PSASIEDQSA-N 303.326 -0.712 30 20 DBED CCNC(=O)CC(=O)NC[C@@H](CO)Nc1ncccc1C#N 1121464384 LHGBHTCRZAOKQC-NSHDSACASA-N 305.338 -0.632 30 20 DBED Cc1cc(C#N)nc(N[C@H](CO)CNC(=O)Cn2ccnc2)n1 1121718600 OPNCOHKGQLOMNN-LBPRGKRZSA-N 315.337 -0.558 30 20 DBED CN1CCCC[C@H]1C(=O)NC[C@H](CO)Nc1cncc(C#N)n1 1122341818 JZBVZDGGXZCDKY-OLZOCXBDSA-N 318.381 -0.278 30 20 DBED Cc1cc(C#N)nc(N[C@@H](CO)CNC(=O)CCCN(C)C)n1 1122416899 PKFKFQXRHKGMRI-CYBMUJFWSA-N 320.397 -0.113 30 20 DBED N#Cc1nc(=NC[C@H]2CC[C@@H](NC(=O)CC(N)=O)C2)cc[nH]1 1123750643 DFDPKOPXPONADN-VHSXEESVSA-N 302.338 -0.658 30 20 DBED CN(C[C@@H](O)CNc1ccc(C#N)nn1)C(=O)c1cn[nH]c1 1124180576 WHXYWEYTBBWCBG-NSHDSACASA-N 301.310 -0.384 30 20 DBED CN(C[C@@H](O)CNc1ncccc1C#N)C(=O)[C@H]1COC(=O)N1 1124271509 LNTFPSPUDLEUFS-WDEREUQCSA-N 319.321 -0.707 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C[C@@H](O)CNc1cc(F)ncn1 1124520740 WMLCOXYMWFDYGG-QWRGUYRKSA-N 310.329 -0.115 30 20 DBED CN(C[C@H](O)CNc1ccc(C#N)cn1)C(=O)c1cnn[nH]1 1124898313 XSSJDMQGJDKALJ-SNVBAGLBSA-N 301.310 -0.384 30 20 DBED CC(C)[C@@H](O)C(=O)N(C)C[C@@H](O)CN(C)c1ccc(C#N)nn1 1125075160 NJINUVNPEUHKLK-GXTWGEPZSA-N 321.381 -0.379 30 20 DBED C#CCCCC(=O)N1C[C@@H]2C[C@@H]3CN(CC(N)=O)C[C@]2(C1)O3 1131219854 DTBKJOHBTPWZFN-WOSRLPQWSA-N 305.378 -0.423 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)[C@@]1(C)CCNC1=O 1133766687 KZCYZWYZXYCGFC-INIZCTEOSA-N 322.409 -0.581 30 20 DBED CNC(=O)NC(=O)CN[C@@H](C)C[C@H](C)NC(=O)C#CC1CC1 1134319242 YJVJCXFDEYFTCP-QWRGUYRKSA-N 308.382 -0.272 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1cnn(CCC)c1 1134543867 LTNROMRWHCLJCV-LBPRGKRZSA-N 305.382 -0.250 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)CCn1ccnc1 1135130932 BQIZXKAXMJKIAY-KBPBESRZSA-N 319.409 -0.105 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)c1coc(COC)n1 1136036761 VRKZNZICYKENHL-JTQLQIEISA-N 310.354 -0.169 30 20 DBED COC[C@H](O)CN1CCC2(C1)CN(C(=O)CSCC#N)C2 1147031359 PFGRXVYOJOHDLH-GFCCVEGCSA-N 313.423 -0.215 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC2(CCN(CC(=O)NCC)C2)C1 1147445831 LMHMJKNQMYGHAV-OAHLLOKOSA-N 309.410 -0.016 30 20 DBED C#CCNC(=O)CNCCNC(=O)CCCN1CCCCC1 1151361315 FHFUPOKNHDSJKM-UHFFFAOYSA-N 308.426 -0.292 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)c1cncnc1 1152907455 XOKUDDVKLYPHGB-GFCCVEGCSA-N 303.366 -0.334 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)CNC(=O)CCC 1155285845 VGVWERKHOWILPQ-LBPRGKRZSA-N 310.398 -0.864 30 20 DBED C#CCOCCC(=O)NCCCNC[C@H](C)CS(C)(=O)=O 1157845734 ALWRCJBIZJCQMT-ZDUSSCGKSA-N 318.439 -0.197 30 20 DBED N#CCNCC1(CCNC(=O)CCc2nnc(O)nc2O)CC1 1165962516 NNAPFEARBVDJQO-UHFFFAOYSA-N 320.353 -0.385 30 20 DBED C=CCC[C@@H](C)NCCCNC(=O)c1cn(CC(N)=O)nn1 1176956200 ROJMMLXKVUZRHS-LLVKDONJSA-N 308.386 -0.172 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H]2OCCN(CC=C)[C@H]2C1 1176983729 YNUITZRMLNUVTK-KBPBESRZSA-N 305.378 -0.386 30 20 DBED C[C@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)c1cncnc1O 1178956837 AVWBIOGFSPEXTH-ONGXEEELSA-N 318.337 -0.985 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)CCN(C)C)[C@H]1C 1179485802 ABQDWYHAQNBUFV-IHRRRGAJSA-N 308.426 -0.345 30 20 DBED C[C@@H]1CN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C[C@@]1(C)CNCC#N 1182768009 WCOWKMUPEIOWIO-ISTVAULSSA-N 307.354 -0.818 30 20 DBED C#CCCNC[C@@H]1CCN(C(=O)CN2CCOCC2=O)C[C@@H]1C 1184575442 CXZDCZDFVBESJM-GJZGRUSLSA-N 321.421 -0.057 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H](n2cc(CNCC(N)=O)nn2)C1 1185900144 RSGKMVKSZLZYGE-JQWIXIFHSA-N 319.369 -0.824 30 20 DBED C#CCCN[C@@H]1CCO[C@H](C2CCN(C(=O)C(N)=O)CC2)C1 1186084886 KAELTXCOLBLBIC-KGLIPLIRSA-N 307.394 -0.129 30 20 DBED CC(=O)NCCOCCN1C[C@@H]2CCN(C(=O)[C@@H](C)C#N)[C@@H]2C1 1187333192 AQNPYXIBGCOBKO-AEGPPILISA-N 322.409 -0.169 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)[C@H]2CCCN2C(C)=O)C1 1188217788 MGPJJOIDBVUQBQ-HUUCEWRRSA-N 307.394 -0.162 30 20 DBED C=CCNC(=O)CN1C[C@@H]2CCN(C(=O)[C@@H](C)CC(N)=O)[C@@H]2C1 1188793511 IFRMLWVIGBYWKB-RWMBFGLXSA-N 322.409 -0.667 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)Cc2cnn(C)c2)C1 1189286851 AROVLMFPIGDQDZ-AWEZNQCLSA-N 319.409 -0.203 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H](CC)SC)C1 1192258300 SQNCSISNJKATDG-UTUOFQBUSA-N 315.439 -0.409 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H](F)C(F)(F)F)C1 1193130613 NBKJYYRPYPEPIK-OPRDCNLKSA-N 312.263 -0.302 30 20 DBED C#CCNC(=O)[C@H](C)N1CCCN(C(=O)[C@H](O)C(C)C)CC1 1195709913 HBIGOZOCZHAHKU-UONOGXRCSA-N 309.410 -0.325 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)c2ccnnc2)CC1 1197245083 LVYPMCSRJXEBAM-UHFFFAOYSA-N 303.366 -0.073 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCCN(C(=O)Cc2ncc[nH]2)CC1 1197559666 DNWIEPABRHMUJX-CYBMUJFWSA-N 317.393 -0.376 30 20 DBED C#CCNC(=O)CC(=O)N1CCC(NCc2cnns2)CC1 1200170556 BFFJLPKUUCEYGB-UHFFFAOYSA-N 321.406 -0.242 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1C[C@H](NCCOC)C12CCC2 1202785522 QGPNXRGXQDLJIV-QWHCGFSZSA-N 307.394 -0.211 30 20 DBED C#CCNC(=O)[C@H](C)NC1CCN(C(=O)c2cccnn2)CC1 1203032478 LJMWFCYASPIUEB-LBPRGKRZSA-N 315.377 -0.191 30 20 DBED Cn1ccc(C(=O)N2CCC(NCC(=O)NCC#N)CC2)n1 1203699328 IJATUHKAUPVFGJ-UHFFFAOYSA-N 304.354 -0.746 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(CCN2CCNC2=O)C[C@H]1C 1206965225 UARKGEUARNHCPE-HZSPNIEDSA-N 322.409 -0.514 30 20 DBED N#CCNC(=O)CN[C@H]1CCCN(C(=O)C[C@@H]2CCOC2)C1 1207727431 GPXXOUBPTUWCDP-STQMWFEESA-N 308.382 -0.367 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCCN(C(=O)c2ncn(C)n2)C1 1207983264 NFFPOTYTKUDDNE-NEPJUHHUSA-N 318.381 -0.853 30 20 DBED CCN1CCOC[C@H]1C(=O)N1CCC[C@@H](NCC#CCOC)C1 1208459659 GJUZJSHIOZUAOG-CVEARBPZSA-N 323.437 -0.063 30 20 DBED CCN(CC)S(=O)(=O)CC(=O)N[C@@H]1CN(CC#N)C[C@H]1C 1209054671 GIZGEXONZDXELX-VXGBXAGGSA-N 316.427 -0.382 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)c2ccnnc2)C1 1209798686 WLVNIXPOLMUQKO-ZDUSSCGKSA-N 301.350 -0.580 30 20 DBED COCC#CCN1C[C@@H](NC(=O)CCn2cccn2)[C@H](OC)C1 1211878571 XJLVHLHAVMGNNL-HUUCEWRRSA-N 320.393 -0.262 30 20 DBED CCn1cc(C(=O)N[C@@H]2CN(CC#CCOC)C[C@H]2OC)nn1 1213642688 QGUVDRGTNKULCW-TZMCWYRMSA-N 321.381 -0.623 30 20 DBED C[C@@H]1CN(C(=O)c2ccc(F)nc2)C[C@H]1NCC(=O)NCC#N 1214343985 LOCPNTRBOVLOSB-ZYHUDNBSSA-N 319.340 -0.089 30 20 DBED C#CCCN[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CCOC)C2)C[C@H]1C 1214757174 DBRYNEMQJHESEE-RBSFLKMASA-N 321.421 -0.059 30 20 DBED C[C@@H]1CN(C(=O)[C@@H]2CCN(C)C2)C[C@H]1NCC(=O)NCC#N 1216754531 ZNYBZHSAFJUFPW-JHJVBQTASA-N 307.398 -0.986 30 20 DBED COCC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1ccncn1 1218797746 VXTCSGDPMCZZEU-LSDHHAIUSA-N 316.361 -0.348 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)C(C)(C)C=C)C1 1220147793 NYIQQLQUXBRLLM-XQQFMLRXSA-N 307.394 -0.502 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)CNC(=O)c2ccco2)C1 1220905146 BUQRPZLVYDENBD-NEPJUHHUSA-N 307.350 -0.253 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)CCn2cc(C)cn2)C1 1221083693 RYVXMVWIZUDXQZ-CABCVRRESA-N 320.393 -0.607 30 20 DBED C[C@@H](CC(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@@H]1O)C1CC1 1221107327 FJVMIQPMBRGFTB-UHTWSYAYSA-N 308.382 -0.776 30 20 DBED C[C@H](CC(=O)N[C@@H]1CN(CC#N)C[C@@H]1O)NC(=O)C1CCCC1 1221185440 LTWXYWKZEQGIMU-BNOWGMLFSA-N 322.409 -0.244 30 20 DBED Cn1nccc1COCC(=O)N1C[C@H]2CCN(CC#N)C[C@H]21 1221641445 PQSJRYDLFUDZBJ-TZMCWYRMSA-N 303.366 -0.007 30 20 DBED C=CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3ccncn3)[C@@H]2C1 1221879600 KBBOVVQVSVBPQG-TZMCWYRMSA-N 315.377 -0.075 30 20 DBED C#CCCN1CCC(CNC(=O)[C@@H](C)NC(=O)COC)CC1 1223295430 XXLCODVZXYQCHQ-CYBMUJFWSA-N 309.410 -0.011 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)COCCOC)CC1 1226649522 URJLYIVQQWAEJC-UHFFFAOYSA-N 313.398 -0.468 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)[C@H](C)NC(=O)CC)CC1 1227503910 DKPAOFOOBWBOKK-LBPRGKRZSA-N 322.409 -0.769 30 20 DBED C=CCCCN1CCC(NC(=O)CNC(=O)CNC(C)=O)CC1 1228032926 NQMRFVKMLRATAG-UHFFFAOYSA-N 324.425 -0.215 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)Cc2cnc[nH]2)CC1 1229355981 SFJZJVLKQAHOTG-UHFFFAOYSA-N 305.382 -0.165 30 20 DBED C=CCOCCN1CC[C@H]1CN(C)C(=O)CS(C)(=O)=O 1231026384 ODGRLNJWBGOLPJ-LBPRGKRZSA-N 304.412 -0.234 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2CCO)CCN1C1CC1 1261861545 ZWSSXYSIGKZPBQ-TZMCWYRMSA-N 320.393 -0.441 30 20 DBED C#CCSCCNC(=O)C(=O)N[C@H]1CC[C@@H](C(=O)OC)C1 1262261511 PCFGOMITNASRIJ-MNOVXSKESA-N 312.391 -0.073 30 20 DBED C#CCOCCC(=O)N1CC[C@H](NCC(=O)N2CCCC2)C1 1266524259 IUNGQFMXXRSUDO-AWEZNQCLSA-N 307.394 -0.161 30 20 DBED C[C@@H](CCNC(=O)[C@@H]1COCCN1CC(F)F)NCC#N 1317399979 IUYZKZOTADZDHJ-QWRGUYRKSA-N 304.341 -0.040 30 20 DBED C=CCN(C(=O)[C@@H](C)CS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1318941029 WUBJZNORIRRJHA-QWRGUYRKSA-N 323.436 -0.131 30 20 DBED C[C@@H](C#N)CNC(=O)C(=O)Nc1cccc(OCC(N)=O)c1 1319792451 BEZDXEYEWMDTDI-VIFPVBQESA-N 304.306 -0.235 30 20 DBED N#CCCCNC(=O)C(=O)NCCNC(=O)c1cccnc1 1321503611 XJDBDJOYYYQIHG-UHFFFAOYSA-N 303.322 -0.652 30 20 DBED CCOCCS(=O)(=O)NCC(=O)NC1(C#N)CCOCC1 1323797938 PCCJCLXUJLEEHI-UHFFFAOYSA-N 319.383 -0.869 30 20 DBED C#CCOCCNC(=O)C(=O)NC[C@@H]1CCCCN1C1CC1 1324499376 IVIDZOCKHJWJNM-AWEZNQCLSA-N 307.394 -0.115 30 20 DBED C=CC[C@H](CC)NC(=O)C(=O)N1CC[C@@H](S(N)(=O)=O)C1 1324711912 YJSNIMCKCPUUFM-VHSXEESVSA-N 303.384 -0.653 30 20 DBED C#CCSCCNC(=O)C(=O)N[C@@H]1CCN(CC(F)F)C1 1327682670 GRMHIZSSQPKPFB-SNVBAGLBSA-N 319.377 -0.075 30 20 DBED CS(=O)(=O)C1(CNC(=O)C(=O)NCCCCC#N)CCC1 1327741632 UBGTXPCCIITRBT-UHFFFAOYSA-N 315.395 -0.120 30 20 DBED C[C@@H](NC(=O)C(=O)N1CC[C@](O)(CC#N)C1)C1CCOCC1 1328303432 PYHSIKWMYTVXPD-IAQYHMDHSA-N 309.366 -0.205 30 20 DBED CC(C)(C)CN(CCCO)C(=O)C(=O)N1CCO[C@H](C#N)C1 1331071944 RRXLTYNLDXCOQX-GFCCVEGCSA-N 311.382 -0.006 30 20 DBED C#CCn1ccc(CN(CC)C(=O)C(=O)NCC2(N)CC2)n1 1338355499 ZTRXPRBOQSUBKW-UHFFFAOYSA-N 303.366 -0.528 30 20 DBED C#C[C@H](NCC(=O)N[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCCO1 1342949435 LNKUCLSYHWMINH-WOPDTQHZSA-N 300.380 -0.940 30 20 DBED C=CCOCCNC(=O)C(=O)N1CC(=O)N[C@@H]2CCCC[C@H]21 1350580736 WDCKFCONQCDQLM-VXGBXAGGSA-N 309.366 -0.425 30 20 DBED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)Cn2ncnn2)C1 1362321822 ZRZOIPRJJXFLJM-VHSXEESVSA-N 321.341 -0.452 30 20 DBED Cc1c(Cl)cnc(N2C[C@@H](C(N)=O)[C@H](C(N)=O)C2)c1C#N 1364229883 OWFHLEKYJCXLSM-RKDXNWHRSA-N 307.741 -0.062 30 20 DBED Cc1c(C#N)c(=O)n(CC2(CS(C)(=O)=O)CC2)c(=O)n1C 1364300943 IGQANBFICUBQNJ-UHFFFAOYSA-N 311.363 -0.448 30 20 DBED C[C@H](C#N)C(=O)N(C)CCCN(C)CC(=O)N1CCOCC1 1368531337 WXHQZRYBDKXZPH-CYBMUJFWSA-N 310.398 -0.215 30 20 DBED CC(C)NC(=O)NC(=O)[C@@H](C)N1CC(NC(=O)[C@H](C)C#N)C1 1377872184 LZIBEOVJJJQGGS-NXEZZACHSA-N 309.370 -0.431 30 20 DBED CCn1nc(C(=O)N2CC[C@H](NC(=O)[C@H](C)C#N)C2)ccc1=O 1386097008 FROPAYJNOOPPMU-MNOVXSKESA-N 317.349 -0.246 30 20 DBED CC(C)NC(=O)CN1CC(O)(CNC(=O)c2cc(C#N)c[nH]2)C1 1402321022 SMXGMMOCPRXPNQ-UHFFFAOYSA-N 319.365 -0.813 30 20 DBED C[C@@H](CN(C)C(=O)c1cnn[nH]1)NC(=O)c1ccc(C#N)[nH]1 1412596877 XVUIIMZBOJALSK-QMMMGPOBSA-N 301.310 -0.105 30 20 DBED CC(C)C[C@@H](CNC(=O)[C@H](C)C#N)NC(=O)CS(C)(=O)=O 1416502441 ITCMHDGBSRVTLD-MNOVXSKESA-N 317.411 -0.162 30 20 DBED CCN(CCC#N)C(=O)CN1CC(NC(=O)c2ccnn2C)C1 1438051538 RHFDVPNDAYDNNZ-UHFFFAOYSA-N 318.381 -0.404 30 20 DBED CC1(CNC(=O)Cn2cc(C#N)c(O)nc2=O)CCOCC1 1446281629 XVNNCIFOXSFXLH-UHFFFAOYSA-N 306.322 -0.247 30 20 DBED CC(=O)C1(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 1450953934 YJDWJXUGVSJLIK-UHFFFAOYSA-N 321.358 -0.037 30 20 DBED C[C@H](CCNC(=O)[C@@H]1CCC(=O)N1)NC(=O)c1ccc(C#N)[nH]1 1455071392 UXTOSKNWDWUJFY-KOLCDFICSA-N 317.349 -0.210 30 20 DBED CCN(CCNC(=O)Cn1ccccc1=O)C(=O)[C@H](C)C#N 1455566581 GJGQQJQNSOEDFD-GFCCVEGCSA-N 304.350 -0.027 30 20 DBED N#CCNC(=O)CN1CCC[C@@H](NC(=O)C2=COCCO2)C1 1479896913 BEPAIKMXVPXNNA-LLVKDONJSA-N 308.338 -0.905 30 20 DBED CCC(=O)NCC(=O)NCC1CN(C(=O)c2cc(C#N)c[nH]2)C1 1498501117 RIEUCVYBQCJHQX-UHFFFAOYSA-N 317.349 -0.399 30 20 DBED CCCC[C@@H](CNC(=O)[C@@H](C)C#N)NC(=O)Cn1cnnn1 1509294086 ZYRMTTDHDDOSFI-QWRGUYRKSA-N 307.358 -0.376 30 20 DBED C[C@@H](CN(C)c1cnc(-c2nn[nH]n2)cn1)NC(=O)[C@H](C)C#N 1574810799 YDKKFKGHROBALH-BDAKNGLRSA-N 315.341 -0.243 30 20 DBED C#CCOCCC(=O)N1C[C@@H]2CN(CCc3cnn[nH]3)C[C@@H]2C1 1575012394 AKDUBTKNTZWUCV-OKILXGFUSA-N 317.393 -0.223 30 20 DBED N#Cc1ncc(N2CC[C@H](c3cc(O)n[nH]3)C2)nc1-c1nn[nH]n1 1581882229 QANLAIKGJSTMDL-ZETCQYMHSA-N 324.308 -0.049 30 20 DBED C=CC[C@H](CO)NC(=O)[C@H](O)c1ccc(-c2nn[nH]n2)cc1 1588545765 NLYXDPVQSDMUKX-VXGBXAGGSA-N 303.322 -0.047 30 20 DBED C[C@@]1(C#N)CN(C(=O)C(=O)N2CC[C@](C)(C(=O)O)C2)CCO1 1589181286 DONHYQIUXUXJQH-UONOGXRCSA-N 309.322 -0.549 30 20 DBED C[C@@](C#N)(NC(=O)CN1CCNC(=O)[C@H]1CC(=O)O)C1CC1 1589323750 LNXHZIVMGQCHCD-YGRLFVJLSA-N 308.338 -0.930 30 20 DBED CCn1cc(-c2nn[nH]n2)c(=O)n(CC2(CC#N)CC2)c1=O 1590949628 JESAWWKULAUQCL-UHFFFAOYSA-N 301.310 -0.096 30 20 DBED CN1C[C@@H](C(=O)O)N(C(=O)c2ccccc2OCC#N)CC1=O 1598562076 HEQCQCZWJRFWPO-NSHDSACASA-N 317.301 -0.044 30 20 DBED N#CCCN(CCC#N)C(=O)CN1CCC[C@H](O)[C@H]1C(=O)O 1601067205 SNAFHJNKDBXXMD-AAEUAGOBSA-N 308.338 -0.448 30 20 DBED N#CCSCC(=O)N1CC[C@H](N=c2cc[nH]c(C(=O)O)n2)C1 1601075380 DUFOERKADLPTRW-VIFPVBQESA-N 321.362 -0.134 30 20 DBED N#Cc1c[nH]c(C(=O)NC2(C(=O)O)CCS(=O)(=O)CC2)c1 1601084423 UJCJRSSMINNNTD-UHFFFAOYSA-N 311.319 -0.352 30 20 DBED N#Cc1ccc([C@@H](C(N)=O)N2CCC(O)(C(=O)O)CC2)cc1 1601095240 LDIAFRUKQSPMRF-LBPRGKRZSA-N 303.318 -0.004 30 20 DBED C#CCC[C@H](O)CNC(=O)C(=O)Nc1cc(C)[nH]c1C(=O)O 1602701234 BYUUHKHQSPZGME-VIFPVBQESA-N 307.306 -0.150 30 20 DBED C#CCOCCC(=O)N[C@H](C)[C@H](C)N=c1cc[nH]c(C(=O)O)n1 1602727664 CRZRREGXWRYICU-WDEREUQCSA-N 320.349 -0.058 30 20 DBED C#CCNC(=O)CN[C@@H](C)CCNC(=O)c1coc(OC)n1 1713413389 UAPMRMZCDSEDSV-JTQLQIEISA-N 308.338 -0.469 30 20 DBED C=CCNC(=O)[C@H](C)N1CC[C@@H](NC(=O)c2cn(C)nn2)C1 1732153929 KSOZDWWPPRPAQS-WDEREUQCSA-N 306.370 -0.690 30 20 DBED COCC#CCN(C)CCCNC(=O)[C@@]1(C)CCC(=O)NC1 1752044798 HAMJNZFONYGPAA-INIZCTEOSA-N 309.410 -0.009 30 20 DBED C=CCN(CC)CCCNC(=O)c1c[nH]nc1S(N)(=O)=O 1752212272 LZDCYACQDFCTOQ-UHFFFAOYSA-N 315.399 -0.315 30 20 DBED C=CCN1CC[C@@H](N[C@H](C)CNC(=O)CCn2cncn2)C1=O 1752859348 AKVZGNIPHRNUBW-CHWSQXEVSA-N 320.397 -0.451 30 20 DBED COCC#CCNC[C@@H]1CCN(C(=O)C(=O)NCC2CC2)C1 1752955847 HZVMJCOHDCBXGR-AWEZNQCLSA-N 307.394 -0.400 30 20 DBED C=CCNC(=O)CNC[C@@H]1CCN(C(=O)C(=O)NCC2CC2)C1 1752956206 KQRYQRSRRXGAQE-ZDUSSCGKSA-N 322.409 -0.747 30 20 DBED C#CCNC(=O)CN(C)CCNC(=O)c1cnn2c1CCCC2 1753070047 UBCHCSIXVNRVAV-UHFFFAOYSA-N 317.393 -0.370 30 20 DBED CCN(CC#CCOC)CCNC(=O)C[C@H]1CC(=O)NC1=O 1753095657 DGLOMYMLELLVBJ-LBPRGKRZSA-N 309.366 -0.873 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N1CC(NC(=O)C2CCC2)C1 1753369302 NQMGWZJXGCHQNA-SNVBAGLBSA-N 308.382 -0.013 30 20 DBED COCC#CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cccn(C)c1=O 1753426687 LHDLBJPFJRSMEB-KBPBESRZSA-N 315.373 -0.066 30 20 DBED CC#CCN[C@@H](CC)CNC(=O)CCCN1C(=O)CNC1=O 1753494429 DWSMCKRMYWSOET-LBPRGKRZSA-N 308.382 -0.174 30 20 DBED C=CCNC(=O)[C@H](C)NCCCN(C)C(=O)[C@H]1CCCC(=O)N1 1754378747 WIVOGZHDESFCMG-QWHCGFSZSA-N 324.425 -0.216 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@@H](NC(=O)c1[nH]cnc1C)C1CC1 1754461910 XKEVEKQDKLPSHT-DGCLKSJQSA-N 317.393 -0.046 30 20 DBED C=CCNC(=O)CN1C[C@H]2CN(C(=O)c3csnn3)C[C@H]2C1 1754843834 QTGPHZADJMIDFN-PHIMTYICSA-N 321.406 -0.156 30 20 DBED C#CCCN1CCC(CO)(NC(=O)c2nnn(C)c2C)CC1 1755180173 UWUVRJAYHXVRGV-UHFFFAOYSA-N 305.382 -0.296 30 20 DBED CO[C@@H](C(=O)N[C@H](C)C1CN(CC(=O)NCC#N)C1)C1CC1 1755373558 KDIFFEWMLNBEDM-QMTHXVAHSA-N 308.382 -0.512 30 20 DBED COCCn1nc(C(=O)N(C)C[C@@H](C)NCC#N)ccc1=O 1755596593 FUBPUSLMBIJANJ-LLVKDONJSA-N 307.354 -0.537 30 20 DBED C=CCNC(=O)CN[C@@H](C)CN(C)C(=O)[C@]1(F)CCOC1 1755601646 NAOADNBYKPNXFZ-FZMZJTMJSA-N 301.362 -0.146 30 20 DBED C[C@H]1C[C@H](NCC(=O)NCC#N)CN1C(=O)c1cccc(O)n1 1755676593 WIYLPWPKGDWING-QWRGUYRKSA-N 317.349 -0.380 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CNC(C)=O)CC1(C)C 1755751752 WBYJGOJWNGEJPB-DGCLKSJQSA-N 324.425 -0.360 30 20 DBED C=CCCC(=O)NC[C@@H](O)CN(C)C(=O)c1cn(CC)nn1 1756675492 GLLDTNIGUFLRKB-LLVKDONJSA-N 309.370 -0.187 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(C(=O)C[C@H]2CCCO2)C[C@@H]1O 1757173800 IWSHMAUIPLRGAV-MCIONIFRSA-N 324.377 -0.717 30 20 DBED C#CCCCC(=O)N(C)C[C@@H]1CCN1C(=O)CC(=O)NCC#C 1757284844 OFPZDOURBFSWIA-AWEZNQCLSA-N 317.389 -0.011 30 20 DBED CCC(=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC#N)C2 1800476438 SISAELNQPBKYOL-GNXNZQSNSA-N 307.350 -0.141 30 20 DBED C[C@@H](NC=O)C(=O)N1CC2(CCCN2C(=O)C(C)(C)C#N)C1 1841138134 NBSUVRWMHMZACZ-LLVKDONJSA-N 306.366 -0.126 30 20 DBED C=CCNC(=O)COC(=O)Cn1nnc2ccccc2c1=O 26477672 CIXINGMUWPKOGO-UHFFFAOYSA-N 302.290 -0.363 30 20 DBED N#Cc1ccc(CCC(=O)OCC(=O)N2CCNC(=O)C2)cc1 28463461 UFOOTNIRRKVBSN-UHFFFAOYSA-N 315.329 -0.008 30 20 DBED CC[C@@H](C#N)OC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 84698146 YRVWSRLEHHSQDD-QMMMGPOBSA-N 305.294 -0.721 30 20 DBED CN(C)C(=O)[C@H]1CC[C@H](C/N=C(\N)N2CCSCC2)O1 91537488 LMNNHKGSBGBIIL-GHMZBOCLSA-N 300.428 -0.014 30 20 DBED C#CCN1CCN(C(=O)COc2cccc(C(N)=O)c2)CC1 101694419 URJGWWNKSVKOFU-UHFFFAOYSA-N 301.346 -0.058 30 20 DBED CC[C@H]1CN(S(=O)(=O)N(C)CCC#N)CCN1C[C@@H](C)O 122679630 QFMTYLLIZFLQQQ-OLZOCXBDSA-N 318.443 -0.146 30 20 DBED Cn1cnc(C/N=C(/N)N2CCN(c3ncccn3)CC2)n1 262683190 XFNDTPQXDHEVCF-UHFFFAOYSA-N 301.358 -0.758 30 20 DBED C[C@H]1C[C@@H](C(=O)O)CN(c2c(C#N)c(=O)n(C)c(=O)n2C)C1 263181166 KHJNBSUYGWRMKH-DTWKUNHWSA-N 306.322 -0.497 30 20 DBED C=CCNC(=O)CNC(=O)CSc1nnc(CCC)n1N 291784456 XSIJHINJRUVQIG-UHFFFAOYSA-N 312.399 -0.545 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H](CCC)OC)C1=O 295514289 UWNVDMVTKJILLY-JTQLQIEISA-N 311.338 -0.106 30 20 DBED Cn1c(N2CCO[C@H]([C@H]3CCCO3)C2)c(C#N)c(=O)n(C)c1=O 301622912 YNSWUYNADKUTDM-NEPJUHHUSA-N 320.349 -0.660 30 20 DBED C[C@H](C(O)=Nc1ncccn1)N1CCN2C(=O)C(=O)NC[C@H]2C1 330133965 MFFFZEHLHMHEJG-ZJUUUORDSA-N 318.337 -0.904 30 20 DBED C[C@H](C(=O)N/C(O)=N/CC(F)(F)F)N(C)[C@@H]1COC[C@H]1O 330617720 XKFXNRSPLHDXKR-BWZBUEFSSA-N 313.276 -0.341 30 20 DBED C[C@H](C(=O)N(C)CCC#N)N1CCC[C@@H](S(N)(=O)=O)C1 330851043 QIGJXLRMSUCHJO-GHMZBOCLSA-N 302.400 -0.500 30 20 DBED CCS(=O)(=O)N(C)CCC/N=C(/O)N1CCO[C@H](CO)C1 331167359 HCXBBOXCUPUAAZ-NSHDSACASA-N 323.415 -0.735 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N[C@@H]2c3ccccc3C[C@H]2O)CCO1 336882595 CAUOLGFNCRWSLK-MRVWCRGKSA-N 323.374 -0.297 30 20 DBED CCN(CCO)CCNS(=O)(=O)N(CC)C[C@H](C)C#N 336897680 UDBXSGTYAJICGI-GFCCVEGCSA-N 306.432 -0.383 30 20 DBED COCCOC[C@H](C)NS(=O)(=O)N1CCO[C@H](C#N)C1 337087325 FXMHZQZGAGWDFU-WDEREUQCSA-N 307.372 -0.903 30 20 DBED CC(C)[C@@H](C#N)NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 347488827 FMCRFVCOMJWCDG-SECBINFHSA-N 318.337 -0.902 30 20 DBED C=CCOCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 354061555 QBGIMSBIWBYCKO-GFCCVEGCSA-N 302.396 -0.480 30 20 DBED COCC1(C#N)CCN(C(=O)NCCN2CCNC(=O)C2)CC1 355076398 GHNYSPGJPVCYDJ-UHFFFAOYSA-N 323.397 -0.620 30 20 DBED N#CCNC(=O)CNC(=O)[C@@H]1CN(Cc2ccccc2)CCO1 367734355 OHJMIDVHAMEGAL-AWEZNQCLSA-N 316.361 -0.357 30 20 DBED COC[C@H](C)NC(=O)NC(=O)Cn1c(C)nc(C#N)c1C#N 442907637 YCNUJTZEOAXRNW-QMMMGPOBSA-N 304.310 -0.204 30 20 DBED C=CCNC(=O)NC(=O)CN1CCc2[nH]nc(C(=O)OC)c2C1 451736750 OQWXCJCZURPXAH-UHFFFAOYSA-N 321.337 -0.434 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2C[C@]23CCOC3)CC1 490972649 HDOXDYWWDMVEDJ-YOEHRIQHSA-N 319.405 -0.303 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1C 515400403 LJTLTADJNCUGLE-GARJFASQSA-N 323.440 -0.265 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N2CCOCC3(CCC3)C2)CCO1 548818573 WTGMVJVXSCJGOE-GFCCVEGCSA-N 315.395 -0.042 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@@H](CC(=O)O)C(=O)O 566682240 OXWYPEQYFNEMPK-DTWKUNHWSA-N 321.355 -0.522 30 20 DBED CC(C)NS(=O)(=O)CCCS(=O)(=O)NC(C)(C)C#N 568253806 MBZCMECVBPWRSH-UHFFFAOYSA-N 311.429 -0.074 30 20 DBED CNC(=O)CCCNCCS(=O)(=O)c1ccc(C#N)cn1 579948269 WVJRRGAWIVUJNU-UHFFFAOYSA-N 310.379 -0.157 30 20 DBED N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@@H]2CCOC2)c1 589462050 VOPRXWKKUQFJNH-LLVKDONJSA-N 309.347 -0.258 30 20 DBED N#CCN1CCN(C(=O)Cn2nc3n(c2=O)CCCC3)CC1 593477720 IVXSPFYEZUJHEO-UHFFFAOYSA-N 304.354 -0.951 30 20 DBED C=CCC[C@H](NC(=O)[C@@H]1CCS(=O)(=O)N1)C(=O)OCC 593738918 OGJJZBIXUJOYKO-UWVGGRQHSA-N 304.368 -0.308 30 20 DBED C=CCCSCCNC(=O)C(=O)N1CCO[C@H]([C@@H](C)N)C1 595284985 YWDXXNOZYCPREE-NEPJUHHUSA-N 315.439 -0.014 30 20 DBED C=CCN1CC[C@H](N(C)[C@H]2CCN(CCC(=O)OC)C2=O)C1=O 595472448 HCQAOLHOIGJGAT-STQMWFEESA-N 323.393 -0.131 30 20 DBED C[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](C#N)C2)CC[C@@H]1C(=O)O 600798524 CERANCMWKAVCMX-VWYCJHECSA-N 309.322 -0.693 30 20 DBED CC(C)[C@](C)(C#N)NC(=O)CN(C)CC(=O)N1CCN(C)CC1 611522677 SCQFSGVYFGIVQZ-INIZCTEOSA-N 323.441 -0.253 30 20 DBED Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NCC#CCO 632515575 HBHFHMFAJBOGNQ-UHFFFAOYSA-N 314.411 -0.664 30 20 DBED CC#CC[C@@H](CO)NC(=O)CN1C(=O)NC2(CCCC2)C1=O 649194328 ZQAUSTDQKCPING-NSHDSACASA-N 307.350 -0.259 30 20 DBED C=C[C@H](CO)N[C@H](C)C(=O)N(CCC)[C@@H]1CCS(=O)(=O)C1 662166047 YWXCVRGPWBDUNA-JHJVBQTASA-N 318.439 -0.063 30 20 DBED N#Cc1c2c(cn(CN3CCO[C@H](C(N)=O)C3)c1=O)CCC2 766620772 XKTJCMYFRQVFHC-ZDUSSCGKSA-N 302.334 -0.648 30 20 DBED C#C[C@@H](NC(=O)CCCN1C(=O)CN(C)C1=O)[C@H]1CCCO1 772886250 DDLAQIAEJSJOGE-VXGBXAGGSA-N 307.350 -0.042 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCC[C@H](CO)[C@H]1C)[C@@H]1CCCO1 817837867 FLDSDMHZSPYVLF-MQYQWHSLSA-N 308.378 -0.097 30 20 DBED NC(=O)CNC(=S)NN=Cc1ccc(-c2nn[nH]n2)cc1F 822868990 LAOSSAAGFSFWEF-UHFFFAOYSA-N 322.329 -0.711 30 20 DBED N#Cc1sccc1S(=O)(=O)N1C[C@H](O)C[C@H]1C(=O)O 844796274 YRTCIVIZICLJDB-RQJHMYQMSA-N 302.333 -0.172 30 20 DBED N#Cc1ccc(NC(=O)COC(=O)[C@H]2CCS(=O)(=O)N2)cc1 845367577 HBYMREJYYBXURB-LLVKDONJSA-N 323.330 -0.268 30 20 DBED N#Cc1ccc(S(=O)(=O)NCC(=O)O[C@H]2CNOC2)cc1 848061383 QKJGHZFWTDWXOK-JTQLQIEISA-N 311.319 -0.717 30 20 DBED CC[C@H](C#N)C(=O)N1CCS(=O)(=NS(C)(=O)=O)CC1 854590670 GUSMYQJJVVGQSH-SECBINFHSA-N 307.397 -0.194 30 20 DBED C#CCOc1ccc(NC(=O)C(=O)NC[C@@H]2COCCN2)cc1 861519836 RINPNXNBKNBOSD-CYBMUJFWSA-N 317.345 -0.258 30 20 DBED C#C[C@@H](NC(=O)N[C@H]1CS(=O)(=O)C[C@H]1C)[C@@H]1CCCO1 884275926 ZYSHLVFNQVRCQM-WYUUTHIRSA-N 300.380 -0.101 30 20 DBED CN(CCO)CCNS(=O)(=O)c1ccc(F)cc1C#N 885805527 RHQGZKHTQCQBMW-UHFFFAOYSA-N 301.343 -0.100 30 20 DBED C#CCSCC(=O)N(CCN1CCOCC1)CC(=O)OC 889055314 XPLJRDDELXMGES-UHFFFAOYSA-N 314.407 -0.313 30 20 DBED C#CC[C@H](NC(=O)CN1CCC[C@H](C(=O)OCC)C1)C(=O)OC 909889690 MDPYAVOXLZZFPM-STQMWFEESA-N 324.377 -0.057 30 20 DBED Cc1nn[nH]c1C(=O)N1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 937796360 SWWHPZURTSUALS-JTQLQIEISA-N 313.321 -0.043 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cn[nH]c2)C1 938171409 DKMHLQFSIUDZPY-KBPBESRZSA-N 315.377 -0.162 30 20 DBED C[C@H](C#N)C(=O)N1CCCN(C(=O)[C@H]2CN(C)CCO2)CC1 940593379 BCMGYSABKSTRND-CHWSQXEVSA-N 308.382 -0.462 30 20 DBED C[C@@H]1CN(CC#N)CC[C@H]1NC(=O)CN1CCCS1(=O)=O 942107441 WKHCZLJLWWAXRL-VXGBXAGGSA-N 314.411 -0.628 30 20 DBED CN1CC[C@@H](C(=O)N[C@@H]2CCN(C(=O)C#CC3CC3)C2)C1=O 942223953 BPURMAOSAKIRHM-OLZOCXBDSA-N 303.362 -0.405 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)c2cccc(O)n2)C1 944535009 PCLCFZRYOPZLFI-MNOVXSKESA-N 318.333 -0.096 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H](NC(=O)c2ccc(=O)n(C)n2)C1 951873059 SJAYZKQEXQSGTQ-WDEREUQCSA-N 317.349 -0.339 30 20 DBED CC#CCN1CCN(C(=O)CN2C(=O)NC(=O)C2(C)C)CC1 957072341 NROGNHBMAFFXQC-UHFFFAOYSA-N 306.366 -0.516 30 20 DBED C=CCCN1C[C@@H](O)[C@@H](CNC(=O)c2ccc(=O)n(CC)n2)C1 958495490 ZXCPMUXPVRYQRG-GXTWGEPZSA-N 320.393 -0.138 30 20 DBED C=CCCN1C[C@H](O)[C@H](CNC(=O)c2cc(C(N)=O)c[nH]2)C1 958524657 BIIBCPBSMSMLHY-YPMHNXCESA-N 306.366 -0.288 30 20 DBED Cn1nncc1CN1C[C@H]2[C@H](NC(=O)c3c[nH]c(C#N)c3)[C@H]2C1 958618753 VUMDKVDPUPTBQJ-WDNDVIMCSA-N 311.349 -0.125 30 20 DBED C=CCN1C[C@H](O)[C@H](CNC(=O)c2cnn(CCOC)c2)C1 958634274 AGVKOODWIQBYGQ-OCCSQVGLSA-N 308.382 -0.262 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cncnc1 960270037 MLNWLIPGPNJPPW-WCFLWFBJSA-N 315.333 -0.312 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cccnn1 960826246 YPXKLMNLQFJTHG-KGYLQXTDSA-N 315.333 -0.312 30 20 DBED Cc1cc(C(=O)N[C@H]2COC3(C2)CN(C(=O)[C@H](C)C#N)C3)n[nH]1 965637851 KIPZICPMKOWLGE-MWLCHTKSSA-N 317.349 -0.023 30 20 DBED C#CCN1CC[C@@H](C)[C@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)C1 968509636 MPLRYGNLFYMIQT-VXGBXAGGSA-N 320.393 -0.223 30 20 DBED C[C@H]1CCN(CC#N)C[C@@H]1NC(=O)CN1C(=O)CN(C)C1=O 968628202 UQMDDJPXHGMFAM-QWRGUYRKSA-N 307.354 -0.769 30 20 DBED C=CCN1C[C@H]2CC[C@H]1CN2C(=O)CN1CCCS1(=O)=O 971446950 HPEWGDWQULEYBW-QWHCGFSZSA-N 313.423 -0.117 30 20 DBED N#Cc1cc(C(=O)N2C[C@H]3CCN(C(=O)CC(N)=O)C[C@H]32)c[nH]1 971873411 VJGXFNAWYGQWGQ-BXKDBHETSA-N 315.333 -0.565 30 20 DBED Cn1nccc1CC(=O)N1CC[C@@]2(CN(CC#N)CCO2)C1 972361741 JWGALOCZBHOOOZ-OAHLLOKOSA-N 303.366 -0.211 30 20 DBED CN1C(=O)CN(CC(=O)N[C@H]2CN(CC#N)CC2(C)C)C1=O 977471621 TYFZVDMFVCMOEH-JTQLQIEISA-N 307.354 -0.769 30 20 DBED C#CCN1C[C@H]2[C@H](CNC(=O)[C@@H]3CCCCN3C(N)=O)[C@H]2C1 978954244 WCMQKFPRALSHEX-FQUUOJAGSA-N 304.394 -0.153 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC3(CCCN(CC(N)=O)C3)C2)c1 981694147 BYJKASBSYGMPQR-UHFFFAOYSA-N 301.350 -0.090 30 20 DBED N#Cc1cc(C(=O)N2CC[C@H](CNC(=O)c3nc[nH]n3)C2)c[nH]1 982665835 RLUWTLKRSMKINW-SECBINFHSA-N 313.321 -0.103 30 20 DBED C=C(C)CN[C@@H]1C[C@H](C)N(C(=O)CN2CCN(C)C(=O)C2)C1 989066769 CJJWOMIKLMBKDG-UONOGXRCSA-N 308.426 -0.085 30 20 DBED C#CCN1CCC(C(=O)N2CC[C@@H](NC(C)=O)[C@H](O)C2)CC1 991143104 ARUPPGXBLYWCPB-HUUCEWRRSA-N 307.394 -0.571 30 20 DBED C=CCN1CC[C@]2(NC(=O)[C@@H]3CC(=O)NC(=O)N3)CCC[C@@H]12 992260034 LDCDXQAKUHOTIO-FIXISWKDSA-N 306.366 -0.116 30 20 DBED CN1CC[C@@H](C(=O)N2C[C@@H](NCC#N)C(C)(C)C2)S1(=O)=O 996401131 JUYPJGFTOPTWED-WDEREUQCSA-N 314.411 -0.630 30 20 DBED COCC(=O)N1CCO[C@@H]([C@H](C)NC(=O)c2ccc(C#N)[nH]2)C1 1009615398 XSCRCYKMBGGUKD-GXFFZTMASA-N 320.349 -0.122 30 20 DBED C=CCN1CC[C@H](N2CC[C@@H](NC(=O)c3cnn[nH]3)C2)C1=O 1015064675 AVFDRUKWQDRWTM-PWSUYJOCSA-N 304.354 -0.604 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2CCN(C(=O)C(N)=O)[C@@H]2C1 1022558715 NITZJNAXQAYLRL-RVMXOQNASA-N 321.377 -0.488 30 20 DBED Cn1cc(CC(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2O)cn1 1023177922 HAYUSNBNNSUZQG-ZIAGYGMSSA-N 316.361 -0.936 30 20 DBED N#Cc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC34CC4)C2)c[nH]1 1025788752 STUXSFODTSSXMU-JHJVBQTASA-N 314.345 -0.012 30 20 DBED C=CCN[C@@H]1CC[C@@H]2CN(C(=O)Cn3c(O)nnc3O)C[C@H]21 1026407673 RQFFLIZPROQGAW-GMTAPVOTSA-N 307.354 -0.298 30 20 DBED Cc1nn(CC(=O)N2C[C@@H]3CC[C@@H](NCC#N)[C@H]3C2)c(=O)n1C 1026408315 CWZYEYSKJUSPEE-RWMBFGLXSA-N 318.381 -0.760 30 20 DBED O=C1CC[C@H](NC[C@H]2CCN(C(=O)C#CC3CC3)C2)C(=O)N1 1026835389 WPYKUPPZAULPDD-OLZOCXBDSA-N 303.362 -0.357 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@@H]2CCCN2[C@@H]2CCNC2=O)c1 1027811816 AGOQVECELUQMCX-WCQYABFASA-N 301.350 -0.031 30 20 DBED C#CCN1CC[C@H](CNC(=O)[C@H]2CC(=O)N(CCOC)C2)C1 1028577895 HPFDXIIARSPMFY-KGLIPLIRSA-N 307.394 -0.447 30 20 DBED C=CCn1cc(C(=O)N(C)[C@H]2CCN([C@H](CC)C(N)=O)C2)nn1 1033482656 ALZPKJXNVIPVFF-WCQYABFASA-N 320.397 -0.126 30 20 DBED CC#CCN1CCCC[C@H](NC(=O)c2nnc(O)nc2O)C1 1034292585 SEIILWQPATYGSU-JTQLQIEISA-N 305.338 -0.110 30 20 DBED C#CCN[C@H]1CC[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)CC1 1034777924 DKKKSVUSCGDICG-XYPYZODXSA-N 314.349 -0.319 30 20 DBED C=CCN1CC[C@@H](NC[C@H]2CCCN2C(=O)CC(N)=O)C1=O 1034889109 KSXQEVSKZXVJBJ-VXGBXAGGSA-N 308.382 -0.771 30 20 DBED C[C@@H]1CN(C(=O)Cn2ccc(O)nc2=O)CC[C@@H]1NCC#N 1036102665 WZDRKHDXNDGOLH-MNOVXSKESA-N 305.338 -0.701 30 20 DBED C#CCN1CC[C@H]2CN(C(=O)c3nccnc3C(N)=O)CC[C@H]21 1036889736 HEFJKITXYUZELF-NWDGAFQWSA-N 313.361 -0.255 30 20 DBED CN1CC[C@@H](N2CC[C@@H]2CNC(=O)c2c[nH]c(C#N)c2)C1=O 1038169853 WRBTWJAAFRRWCR-CHWSQXEVSA-N 301.350 -0.079 30 20 DBED O=C(CC1(O)CCC1)NC[C@@]1(O)CCN(C(=O)C#CC2CC2)C1 1039668782 BQWYAAPUBPNCOR-KRWDZBQOSA-N 320.389 -0.216 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@@](O)(CNC(=O)C2(C)CC2)C1 1040077266 WJVZHEXFTTXMJA-BLLLJJGKSA-N 308.378 -0.096 30 20 DBED CC(C)N(C)CC(=O)NC[C@@]1(O)CCN(C(=O)C#CC2CC2)C1 1040103981 HVLMKKGWHLMRRQ-KRWDZBQOSA-N 321.421 -0.180 30 20 DBED Cc1conc1C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1O 1041157629 DZYQQLFGXFFTES-GHMZBOCLSA-N 314.305 -0.376 30 20 DBED C[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1NC(=O)c1cnn(C)n1 1042057878 JGLTUQPQJOBJEW-BXKDBHETSA-N 312.337 -0.269 30 20 DBED C#CCN1CC[C@H]2CCN(C(=O)CN3C(=O)CNC3=O)C[C@@H]21 1042346433 UFWQWAGRCNLGPV-RYUDHWBXSA-N 304.350 -0.906 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)CCn2ccnc2)C1 1042807072 NTUSDJVJURHSJJ-UHFFFAOYSA-N 318.377 -0.234 30 20 DBED CN1CCC(C(=O)N2CC(O)(CNC(=O)C#CC3CC3)C2)CC1 1042960132 FKDFKLPSNBEURM-UHFFFAOYSA-N 319.405 -0.569 30 20 DBED Cc1c[nH]cc1C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1043959087 NVSWPYJBWICXCI-OLZOCXBDSA-N 312.333 -0.036 30 20 DBED CN(C(=O)c1cn(C[C@@H]2CCOC2)nn1)C1CN(CC#N)C1 1044107191 GMMBESJNLUMHLW-NSHDSACASA-N 304.354 -0.406 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[C@@H]2C(N)=O)C1 1044425640 DLOHQNBASLTDDE-WDEREUQCSA-N 309.366 -0.846 30 20 DBED C#CCN[C@@H]1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)[C@@H](C)C1 1044624578 JNNFECGJGIJASL-QWHCGFSZSA-N 318.377 -0.851 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)Cc2ncc[nH]2)C1 1045277179 LFSHYWLMCMSMSN-UHFFFAOYSA-N 304.350 -0.699 30 20 DBED Cc1cnn(C)c1C(=O)N1CC(O)(CNC(=O)[C@H](C)C#N)C1 1045564623 JVHZAPPJEPTMOT-SECBINFHSA-N 305.338 -0.809 30 20 DBED C#CCN1C[C@H]2C[C@@H](NC(=O)c3nnc(O)nc3O)C[C@H]1C2 1047104712 ZPCUFXURVISDHV-IVZWLZJFSA-N 303.322 -0.501 30 20 DBED C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1c(O)nnc1O 1049868800 XWJNWLIOHZVKIJ-GHMZBOCLSA-N 307.354 -0.059 30 20 DBED CC#CCN1C[C@@H]2CCCN(C(=O)C3CS(=O)(=O)C3)[C@@H]2C1 1050054945 UWTWRQLRBOGNNK-GXTWGEPZSA-N 310.419 -0.023 30 20 DBED C#CCN1CCN([C@@H]2CCN(C(=O)c3ccc(O)nn3)C2)CC1 1051976525 FKVWWWNDMYTYSG-CYBMUJFWSA-N 315.377 -0.353 30 20 DBED CC(C)C#CC(=O)N1C[C@H](C)[C@H](CNC(=O)c2nnn(C)n2)C1 1052530097 PEEANDBYXXOLIJ-NWDGAFQWSA-N 318.381 -0.306 30 20 DBED N#Cc1c[nH]c(C(=O)N2CCOC3(CN(CCCO)C3)C2)c1 1053210981 TYFSLDVNFGQSFQ-UHFFFAOYSA-N 304.350 -0.204 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)[C@@H](C)[C@@H]1CCC(=O)N1)CCO2 1053443353 VRGHSVSCEYWLNW-KBPBESRZSA-N 319.405 -0.162 30 20 DBED C[C@@H](C(=O)N1CCOC2(CN(CC#N)C2)C1)c1cnn(C)c1 1053553114 KHRJICNSCOXHCG-GFCCVEGCSA-N 303.366 -0.040 30 20 DBED C#CCN1CC2(CC[C@H](CNC(=O)c3ccc(C(N)=O)[nH]3)O2)C1 1053660471 KTGLUJJNHACJJZ-LLVKDONJSA-N 316.361 -0.290 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)[C@H]3CN(C)CCO3)CO2)C1 1053766417 MWWAWEPQRKTKMR-UONOGXRCSA-N 307.394 -0.700 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)c3ccn(C)c(=O)c3)CO2)C1 1053849441 KHIIFYUPTWMEMD-ZDUSSCGKSA-N 301.346 -0.408 30 20 DBED Cc1cc(=O)c(C(=O)N[C@@H]2COC3(C2)CN(CC#N)C3)c[nH]1 1053972795 MGMQNQZHNYSJTI-NSHDSACASA-N 302.334 -0.220 30 20 DBED N#Cc1nccnc1N1C[C@H]2C(NC(=O)[C@H]3CCNC3=O)[C@@H]2C1 1056356360 UAJCTJNICXFRQM-IVZWLZJFSA-N 312.333 -0.965 30 20 DBED N#Cc1cnc(N2CCCN(C(=O)Cn3ncnn3)CC2)cn1 1057182306 AYBNZZIMAJCVOU-UHFFFAOYSA-N 313.325 -0.926 30 20 DBED C=CCO[C@H](C)C(=O)NCCN(CCO)C(=O)c1n[nH]cc1C 1057532187 FTXWHVDYJIGGRN-GFCCVEGCSA-N 324.381 -0.140 30 20 DBED CC[C@@H](C(=O)NCCN(CCO)C(=O)C#CC1CC1)N(C)C 1057532833 CDCWAKHETZVNEI-AWEZNQCLSA-N 309.410 -0.323 30 20 DBED C#CCO[C@H](C)C(=O)N(CCO)CCNC(=O)[C@@H]1CCCO1 1057582986 DNAZPWOPQWPBRK-OLZOCXBDSA-N 312.366 -0.859 30 20 DBED C=C(C)C(C)(C)C(=O)N(CCO)CCNC(=O)Cc1nc[nH]n1 1058288012 NACZQHUWOKIMMD-UHFFFAOYSA-N 323.397 -0.113 30 20 DBED C#CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)Cc1cnoc1 1058483709 VBCANGYVJZWYGW-LBPRGKRZSA-N 323.349 -0.808 30 20 DBED C=CCCCC(=O)N(CCO)CCNC(=O)CNC(=O)OC 1058621503 IUXXNUSGVBBMPN-UHFFFAOYSA-N 315.370 -0.364 30 20 DBED CCn1cc(C(=O)N[C@H]2C[C@H](N=c3cc[nH]c(C#N)n3)C2)nn1 1059289294 OJINNLVITLPVGN-MGCOHNPYSA-N 312.337 -0.246 30 20 DBED Cc1cc(C#N)nc(N[C@H]2C[C@H](NC(=O)[C@@H]3CCNC3=O)C2)n1 1059364675 DDZOQRMWEAAJCI-CKYFFXLPSA-N 314.349 -0.148 30 20 DBED C#CCCCC(=O)N1CCOC[C@@H]1CNC(=O)c1ncn(C)n1 1061552770 OQWICZKEQMGKJC-LBPRGKRZSA-N 319.365 -0.424 30 20 DBED C=CCCCC(=O)NC[C@H]1COCCN1C(=O)Cn1cncn1 1061831764 YAHJKQCMCSFBDU-ZDUSSCGKSA-N 321.381 -0.022 30 20 DBED Cc1ccnc(C(=O)N2CCO[C@@H](CNC(=O)[C@H](C)C#N)C2)n1 1065103984 RPSRAOUUKWEKMK-PWSUYJOCSA-N 317.349 -0.098 30 20 DBED C=CCCOCC(=O)N1CCO[C@@H](CNC(=O)c2cn[nH]c2)C1 1065281547 ZNADDXPNHHJNMI-ZDUSSCGKSA-N 322.365 -0.040 30 20 DBED CN(C(=O)c1cnon1)[C@H]1CN(c2ncccc2C#N)C[C@@H]1O 1065599695 QCXSJPPVRJFZTR-RYUDHWBXSA-N 314.305 -0.342 30 20 DBED C=CCOCC(=O)N1CC2(CC[C@H](CNC(=O)COC)O2)C1 1068490598 BGWZETNCHSZQPC-GFCCVEGCSA-N 312.366 -0.288 30 20 DBED C=CCCCC(=O)N[C@@H]1COC2(C1)CN(C(=O)CC(=O)NC)C2 1068995379 ZHQIEPMTCBJWGD-LBPRGKRZSA-N 323.393 -0.035 30 20 DBED CC(=O)NCC(=O)N1CCC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 1070369487 ZLNDGQKZQQOZHI-GFCCVEGCSA-N 317.349 -0.257 30 20 DBED C[C@H]1CN(C(=O)CCc2nc[nH]n2)C[C@]2(CCN(CC#N)C2)O1 1071151646 LJEBGXBXCLJODF-SWLSCSKDSA-N 318.381 -0.047 30 20 DBED C[C@@H]1CN(C(=O)CNC(N)=O)C[C@@H]1NC(=O)c1cc(C#N)c[nH]1 1071572846 AWTJMYCPQWSFHB-KCJUWKMLSA-N 318.337 -0.869 30 20 DBED COC(=O)NCC(=O)N1C[C@@H](NC(=O)C#CC2CC2)[C@H](C)C1 1071714270 OFDNWZSHGSGKDE-ZYHUDNBSSA-N 307.350 -0.281 30 20 DBED C=CCOCC(=O)N[C@H]1CN(C(=O)CC(=O)NCC)C[C@@H]1C 1071938781 HSLAPFUDHZUKBY-RYUDHWBXSA-N 311.382 -0.322 30 20 DBED CC(C)C#CC(=O)N[C@H]1CN(C(=O)Cn2cnnc2O)C[C@@H]1C 1071943601 PEPQVKLJIMCHMT-RYUDHWBXSA-N 319.365 -0.394 30 20 DBED C=CCCOCC(=O)NC1(C)CCN(C(=O)CC(N)=O)CC1 1072917380 OWRFGAQROZIIFB-UHFFFAOYSA-N 311.382 -0.048 30 20 DBED COCCCC(=O)N1CC(N2CCN(C(=O)[C@@H](C)C#N)CC2)C1 1073597076 PUUYCSXNXYIIRI-ZDUSSCGKSA-N 322.409 -0.072 30 20 DBED CCCN1C[C@H](C(=O)NC[C@H]2CN(CC#N)CCCO2)CC1=O 1073794480 JNAUTWURTVFJBN-KGLIPLIRSA-N 322.409 -0.024 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)[C@H]2CCCC(=O)N2C)C1 1073873836 LRYGUHSNOSMHMH-UONOGXRCSA-N 307.394 -0.162 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CCN(C(=O)c2ccnn2C)CC1 1074507516 OVTMXKABZMVFAK-LLVKDONJSA-N 319.365 -0.337 30 20 DBED C[C@H]1C[C@H](NC(=O)C#CC2CC2)CCN1C(=O)c1nnn(C)n1 1074984125 NWPVHKSYIKJZSH-CMPLNLGQSA-N 316.365 -0.267 30 20 DBED C[C@@H](CCNC(=O)[C@H]1COCCO1)NC(=O)c1cc(C#N)c[nH]1 1075698357 YBIFCBVMYSNDJF-GXFFZTMASA-N 320.349 -0.074 30 20 DBED C=CCOCC(=O)NCC[C@H](C)NC(=O)CCn1cnnn1 1075918674 AKCGTWJGPTUGTO-NSHDSACASA-N 310.358 -0.723 30 20 DBED C#CCOCCC(=O)NCC[C@H](C)NC(=O)[C@]1(C)CNC(=O)C1 1076505999 JHXRGADYTSUYLL-LRDDRELGSA-N 323.393 -0.437 30 20 DBED C[C@@H](CCNC(=O)Cn1nccn1)NC(=O)CSCC#N 1076694434 PFQHMRNZUHQIMZ-JTQLQIEISA-N 310.383 -0.454 30 20 DBED C=CCCOCC(=O)N[C@@H](C)CCNC(=O)c1c[nH]c(=O)cn1 1078078195 KOKQUHJVUOSCHL-NSHDSACASA-N 322.365 -0.013 30 20 DBED CCN1CCO[C@H](C(=O)N2CC(N(CC)C(=O)[C@H](C)C#N)C2)C1 1080418723 YAZLIZRLVPHAFC-OCCSQVGLSA-N 322.409 -0.074 30 20 DBED C=CCCCC(=O)N1C[C@H](CNC(=O)CNC(C)=O)[C@@H](O)C1 1081204312 HRVAXKSOPHQHCI-STQMWFEESA-N 311.382 -0.586 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2cc[nH]n2)C1 1081285636 ANQAXVXPLGVTKQ-ZYHUDNBSSA-N 308.338 -0.839 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cocn2)C1 1081341767 UNSQGTVKGIIBRN-CMPLNLGQSA-N 309.322 -0.574 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@H](CNC(=O)CCn2ccnn2)C1 1081437511 YFLZKKKHKVSBTD-OLZOCXBDSA-N 321.381 -0.430 30 20 DBED C#CCCCC(=O)N1C[C@H](CNC(=O)c2ccnnc2)[C@@H](O)C1 1081797877 RXLPZVLUSUBFNR-KBPBESRZSA-N 316.361 -0.171 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CCCCN1C(=O)Cn1cnnn1 1081870269 SAAQJPRAONEFAV-QWRGUYRKSA-N 305.342 -0.670 30 20 DBED C=CCOCC(=O)N1CCCC[C@H]1CNC(=O)CC(=O)NC 1081959182 XZFCOZXEFLQPBX-LBPRGKRZSA-N 311.382 -0.178 30 20 DBED C#CCCN1C[C@@H](NC(=O)c2coc(C(N)=O)c2)[C@H](OC)C1 1081980909 IVEUTWPPWLEWSF-DGCLKSJQSA-N 305.334 -0.169 30 20 DBED C=CCN1C[C@@H](NC(=O)[C@@H]2CCc3nn[nH]c3C2)[C@H](OC)C1 1082324325 KKXXYBNDXZVUTH-LERXQTSPSA-N 305.382 -0.089 30 20 DBED C=CCn1cc(C(=O)N2CCO[C@@H]3CN(CCCO)C[C@@H]32)nn1 1083217642 IRUKZTVJWGSGSM-UONOGXRCSA-N 321.381 -0.628 30 20 DBED Cn1nc(C(=O)N[C@@H]2CN(CC#N)C[C@@H]2O)cc1C(F)(F)F 1083489132 PMNXOOURWMNAOY-BDAKNGLRSA-N 317.271 -0.263 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)Cc2nc(C3CC3)nn2C)C1 1084077055 DDTJERHHVFGZJC-OLZOCXBDSA-N 319.409 -0.028 30 20 DBED C=CCCN1CC[C@H](NC(=O)c2cnc(O)n(C)c2=O)[C@H](O)C1 1090485519 IPDQAUMBCWHXBR-NWDGAFQWSA-N 322.365 -0.773 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CCN(Cc3nnn(C)n3)C[C@@H]2O)C1 1090553576 OKDGXWMQXIRDQK-NEPJUHHUSA-N 320.397 -0.382 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)c2nc3ncccn3n2)[C@H](O)C1 1090657833 IHEDBLGGOXGSTD-VXGBXAGGSA-N 316.365 -0.135 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2cc(C(N)=O)c[nH]2)[C@@H](O)C1 1090675920 LOGJGLSENFBWLY-YPMHNXCESA-N 304.350 -0.698 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2cnn3ccc(C)nc23)[C@@H](O)C1 1090735269 WHQAXZFYNIEPAG-KGLIPLIRSA-N 313.361 -0.164 30 20 DBED C#CCCN1C[C@@H]2CN(C(=O)CN3CCOCC3=O)C[C@]2(C)C1 1091741459 BKUAAMQHXWIMSZ-PBHICJAKSA-N 319.405 -0.351 30 20 DBED C[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1CNC(=O)CNC(N)=O 1092321774 HZNABKWFGBBHGP-NXEZZACHSA-N 317.353 -0.795 30 20 DBED Cc1nsc(N2C[C@@H]3C(NC(=O)CC(N)=O)[C@H]3C2)c1C#N 1093229861 WQCLKCAIRFFSHC-IUCAKERBSA-N 305.363 -0.251 30 20 DBED COC(=O)NCC(=O)NC1[C@@H]2CN(c3ccnc(C#N)n3)C[C@@H]12 1093239254 JILYTUUXUSSGFA-RKDXNWHRSA-N 316.321 -0.745 30 20 DBED CCNC(=O)NC(C)(C)C(=O)NCCNc1cncc(C#N)n1 1093869215 KKYLGABZVGETJC-UHFFFAOYSA-N 319.369 -0.026 30 20 DBED C=CCN1CCN(C(=O)c2cnon2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094672060 YLVXTXBOODXIQI-WDEREUQCSA-N 312.351 -0.821 30 20 DBED N#Cc1cncc(N2CCC[C@H](NC(=O)CCNC(N)=O)C2)n1 1096180707 MAJGXUVLPWDSCE-JTQLQIEISA-N 317.353 -0.508 30 20 DBED CCNC(=O)CC(=O)N1CC[C@H](N=c2cc[nH]cc2C#N)C1 1096937979 ZHLNZGJKJUGORB-LBPRGKRZSA-N 301.350 -0.086 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1C[C@@H](Nc2nccnc2C#N)C1 1097175837 GDVJFUCMVAMZJI-PHIMTYICSA-N 312.333 -0.453 30 20 DBED C[C@H](CNC(=O)c1c[nH]c(C#N)c1)Nc1nccn2nnnc12 1097766151 HYVXJNWDDMTEAV-MRVPVSSYSA-N 311.309 -0.051 30 20 DBED C[C@H](CNC(=O)COCCN(C)C)N=c1cc[nH]c(C#N)n1 1097954147 RRJMXXLTEQMDSD-LLVKDONJSA-N 306.370 -0.735 30 20 DBED C[C@@H](CNC(=O)CN1CCCNC1=O)Nc1cncc(C#N)n1 1098420166 HRFATLIRZMMXGU-JTQLQIEISA-N 317.353 -0.320 30 20 DBED C[C@@H](CNC(=O)c1nnc(O)nc1O)N=c1cc[nH]cc1C#N 1098435612 PHGURUYGDJABEC-ZETCQYMHSA-N 315.293 -0.798 30 20 DBED C#CCN(CCO)C1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)CC1 1098479845 BTMVXCRJUVJGNJ-KGLIPLIRSA-N 321.421 -0.194 30 20 DBED CC(=O)NCC(=O)N1CC[C@H](CNc2nccnc2C#N)C1 1098496366 KAUBIFSPMXQRON-LLVKDONJSA-N 302.338 -0.255 30 20 DBED Cc1cc(C(=O)N[C@@H]2CCN(CC(=O)NCC#N)C[C@@H]2O)co1 1099789203 LLJUUQSCSIBJLA-OLZOCXBDSA-N 320.349 -0.607 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)Cc2cncnc2)[C@H](O)C1 1099796358 BNMXUYLRPLMPNA-HUUCEWRRSA-N 320.393 -0.227 30 20 DBED C#CCOCCC(=O)N[C@H]1CCN(Cc2ccn(C)n2)C[C@@H]1O 1099832089 APMHKIAUHVFSON-GJZGRUSLSA-N 320.393 -0.489 30 20 DBED C#CCOCCC(=O)N[C@H]1CCN(Cc2ccon2)C[C@@H]1O 1099832888 OFMRQYIPMRZODK-KBPBESRZSA-N 307.350 -0.234 30 20 DBED N#CCN1CC[C@@H](NC(=O)C2(NC(N)=O)CCCCC2)[C@@H](O)C1 1100026937 KCCNOWGVALJMFY-NEPJUHHUSA-N 323.397 -0.567 30 20 DBED C[C@H](C(=O)NCCN(C)c1nccnc1C#N)n1cncn1 1100028124 GNKQHRMYQXWTID-SNVBAGLBSA-N 300.326 -0.247 30 20 DBED CC#CCN1CC[C@@H](NC(=O)C2(C(=O)N(C)C)CC2)[C@H](O)C1 1100071948 MPUYUQUUCPSIAM-CHWSQXEVSA-N 307.394 -0.571 30 20 DBED C=C(Cl)CN1CC[C@H](NC(=O)COCCN(C)C)[C@@H](O)C1 1100073941 HQYUNNTUMRIXMD-STQMWFEESA-N 319.833 -0.132 30 20 DBED C[C@@H](C(=O)NCCN(C)c1cnc(C#N)cn1)S(C)(=O)=O 1100394204 QZDLYZSKLIETBD-VIFPVBQESA-N 311.367 -0.666 30 20 DBED CCN(CCNC(=O)C(C)(C)C(N)=O)c1ccc(C#N)nn1 1100639604 PAYVIBHKSBVZPS-UHFFFAOYSA-N 304.354 -0.198 30 20 DBED CC(=O)N(C)CC(=O)NC[C@H]1CCN(c2nccnc2C#N)C1 1100960287 XKGXIERHJXVDSR-GFCCVEGCSA-N 316.365 -0.231 30 20 DBED CN1C[C@H](C(=O)N(C)CCNc2cnc(C#N)cn2)NC1=O 1101903339 ZNTYMTFMFXYOEF-SNVBAGLBSA-N 303.326 -0.758 30 20 DBED C[C@H](CNC(=O)C[C@H](C)NC(N)=O)CNc1cnc(C#N)cn1 1104100171 ZHGCMHUAQFPPOT-UWVGGRQHSA-N 319.369 -0.041 30 20 DBED C[C@H](CNC(=O)[C@H]1CCNC1=O)CNc1cnc(C#N)cn1 1104156982 BXTLJPPXTUGZMT-ONGXEEELSA-N 302.338 -0.351 30 20 DBED C#CCOCCC(=O)NC[C@H]1CN(c2ncc(F)cn2)CCO1 1104330101 HIPFABMKTIXESI-ZDUSSCGKSA-N 322.340 -0.023 30 20 DBED C[C@H](CNc1cnc(C#N)cn1)N(C)C(=O)[C@H]1COC(=O)N1 1104546073 XHIIBXIHYLXPIR-PSASIEDQSA-N 304.310 -0.285 30 20 DBED C[C@@H](CNc1nccnc1C#N)N(C)C(=O)[C@H]1C[C@H]1C(N)=O 1104826567 ACCFZKUFAVOWSK-AEJSXWLSSA-N 302.338 -0.272 30 20 DBED C#CCNCc1cn(C2CN(C(=O)Cc3ccon3)C2)nn1 1105199926 OQFSYYPREQYAPS-UHFFFAOYSA-N 300.322 -0.385 30 20 DBED C=C(C)CNCc1cn(C2CN(C(=O)c3ncn(C)n3)C2)nn1 1105230589 OAZDQBGHTNAIDS-UHFFFAOYSA-N 316.369 -0.231 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(n2cc(CNC[C@H](C)O)nn2)C1 1105240261 GCMUPDHYIRMGMW-NWDGAFQWSA-N 321.381 -0.830 30 20 DBED Cc1cnc(C(=O)NC[C@@H](O)CNc2nccnc2C#N)cn1 1105709409 MCSLFLLDRMQUEH-JTQLQIEISA-N 313.321 -0.351 30 20 DBED N#Cc1cccnc1NC[C@H](O)CNC(=O)Cc1cc[nH]n1 1105758148 CAGYBTDXFQKCDI-GFCCVEGCSA-N 300.322 -0.192 30 20 DBED CNC(=O)NC(=O)CNC[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C 1106101419 XUEGXLLUYOMGND-DGCLKSJQSA-N 320.393 -0.461 30 20 DBED C[C@@H](CCNc1nccnc1C#N)NC(=O)[C@@H]1CCNC1=O 1106515813 MMEOVLLHKBSXNW-VHSXEESVSA-N 302.338 -0.209 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)CN(C)C(C)=O 1106693754 AOPORZJRZDAILT-UHFFFAOYSA-N 304.354 -0.491 30 20 DBED C=CCNC[C@@H]1CN(C(=O)[C@@H](C)NS(C)(=O)=O)C[C@H]1C 1106703301 HQAUCGOBOOAAIB-IJLUTSLNSA-N 303.428 -0.206 30 20 DBED C#CCN1CC(n2cc(CNC(=O)Cc3cc(C)on3)nn2)C1 1107145810 KGFOVUYMKVLJKJ-UHFFFAOYSA-N 314.349 -0.077 30 20 DBED C#CCN1CC(n2cc(CNC(=O)Cc3cncnc3)nn2)C1 1107164972 NKYYFKCHCIVGIF-UHFFFAOYSA-N 311.349 -0.583 30 20 DBED CNS(=O)(=O)CC(=O)NC/C=C\CNc1ccc(C#N)nc1 1107214153 IVSHCLXVVIUSEQ-IHWYPQMZSA-N 323.378 -0.413 30 20 DBED C=CCOCC(=O)NC[C@@]1(C)CN(CC(=O)NCC#N)CCO1 1107811962 WBJGSHWTYSYYBF-HNNXBMFYSA-N 324.381 -0.964 30 20 DBED C[C@]1(CNC(=O)C2=CCCC2)CN(CC(=O)NCC#N)CCO1 1107866835 WQGWHNDIJQWNFL-INIZCTEOSA-N 320.393 -0.056 30 20 DBED Cc1cc(=NC[C@@H](C)NC(=O)[C@@H]2CNC(=O)N2)c(C#N)c[nH]1 1108075471 BDVWMYMUCRNZQL-SKDRFNHKSA-N 302.338 -0.718 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)C[C@H]2CCC(=O)N2C)C1 1108112751 AAZOJIUTAUFYSM-CZUORRHYSA-N 307.394 -0.162 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)C[C@@](C)(O)C=C)CC2=O)C1 1108538432 HFJKSTFAZIIDOD-WBMJQRKESA-N 305.378 -0.652 30 20 DBED CNC(=O)NCC(=O)N[C@H](C)CN(C)c1nc(C)cc(C#N)n1 1109288182 VRKAGBORLGSICY-SNVBAGLBSA-N 319.369 -0.473 30 20 DBED CN1C[C@@H](C(=O)N(C)CCCNc2cnc(C#N)cn2)NC1=O 1109578780 PZYYULKLVWCYDM-NSHDSACASA-N 317.353 -0.368 30 20 DBED Cc1nsc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)CC(N)=O)c1C#N 1109697877 RHEIILNKKCSDQW-FDOIEUKUSA-N 305.363 -0.108 30 20 DBED C[C@]1(C(=O)NCC2(Nc3cnc(C#N)cn3)CC2)CCNC1=O 1110344849 ZYGWDVCJFSKUIU-AWEZNQCLSA-N 314.349 -0.065 30 20 DBED C[C@H](NC(N)=O)C(=O)N1CCC[C@H]1CN=c1cc[nH]cc1C#N 1110539861 OMCFQQZHWLTSES-JQWIXIFHSA-N 316.365 -0.165 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cn1nccn1 1110601189 NDJJDCSCFHDAGD-MCIONIFRSA-N 303.366 -0.351 30 20 DBED C=CCNC(=O)NC(=O)CN1CCN(C(=O)CSC)CC1 1112601386 QSANMXSGTLLTSV-UHFFFAOYSA-N 314.411 -0.495 30 20 DBED C[C@H](C#N)C(=O)N1CCN(CC(=O)NC(=O)NC(C)(C)C)CC1 1112711296 WLLSSKLZELWDGH-LLVKDONJSA-N 323.397 -0.085 30 20 DBED C=C(C)CN(CC)C(=O)[C@@H](C)N1CCN(C(=O)CC(N)=O)CC1 1112734810 MMVUXRIAJOCJTB-CYBMUJFWSA-N 324.425 -0.181 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)[C@@H]2CCCCO2)CC1 1112768711 JGOMXQJEBYYRPT-KBPBESRZSA-N 307.394 -0.162 30 20 DBED C#CCNC(=O)CC(=O)N1CCN(C[C@@H]2CC[C@H](C)O2)CC1 1112777738 KOKNHRLVXDOASB-KBPBESRZSA-N 307.394 -0.162 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)CCc2ncc[nH]2)CC1 1112805690 HNRCNLVJILECMH-UHFFFAOYSA-N 305.382 -0.211 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)[C@H](C)NC(=O)CC)CC1 1112880070 MDPXQUYWXYWPAX-QWHCGFSZSA-N 324.425 -0.264 30 20 DBED C[C@H](Nc1ccc(C#N)cn1)[C@@H](C)NC(=O)Cn1cnnn1 1112906198 XRDCBAIJZKYTRL-VHSXEESVSA-N 300.326 -0.055 30 20 DBED C[C@@H](NC(=O)CS(C)(=O)=O)[C@@H](C)Nc1nccnc1C#N 1112926272 QXMXNVUXNTYZQD-RKDXNWHRSA-N 311.367 -0.302 30 20 DBED C[C@H](NC(=O)Cn1cncn1)[C@@H](C)Nc1nccnc1C#N 1113031050 KCZGXRQJYSSGGF-VHSXEESVSA-N 300.326 -0.055 30 20 DBED C[C@@H](NC(=O)Cn1cncn1)[C@@H](C)Nc1ccc(C#N)nn1 1113031464 PYMQEYPNJHQSFZ-NXEZZACHSA-N 300.326 -0.055 30 20 DBED COCC#CCN1CCN(C(=O)[C@@H](OC)c2cnn(C)c2)CC1 1113156672 RCFGTXUWKIHZCO-HNNXBMFYSA-N 320.393 -0.098 30 20 DBED C=CCN1CC[C@H](N2CCN(C(=O)[C@H](C)CC(N)=O)CC2)C1=O 1113196451 RTZBYERRTNJEFM-OLZOCXBDSA-N 322.409 -0.571 30 20 DBED C[C@H](C(=O)N1CCN(CC(=O)NCC#N)CC1)c1cccnc1 1113548823 PLUKXSVKUMKGIZ-ZDUSSCGKSA-N 315.377 -0.031 30 20 DBED C[C@H](CNC(=O)[C@@H]1CCNC(=O)C1)N(C)c1cncc(C#N)n1 1113574886 IOCQFZYXMGPCLL-GHMZBOCLSA-N 316.365 -0.185 30 20 DBED C[C@H](CNC(=O)[C@@H]1CCC(=O)N1)N(C)c1cncc(C#N)n1 1113671874 BGBVBSLNLIEEQV-KOLCDFICSA-N 302.338 -0.432 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)c3cc(C)no3)[C@@H]2C1 1113852297 JGOXLIKLCIQUHA-GHMZBOCLSA-N 304.350 -0.055 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)c3cnnn3C)[C@H]2C1 1114203868 KXUSHHYFQKZJSM-DCQANWLSSA-N 318.381 -0.834 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H]1[C@@H]2CN(CC(=O)N3CCC3)C[C@@H]21 1114270669 JBDRIQDINMJWRM-RMRHIDDWSA-N 305.378 -0.697 30 20 DBED C#CCCN1C[C@H]2C(NC(=O)[C@H](C)NS(=O)(=O)CC)[C@@H]2C1 1114310825 CHJKEFIYYQAUTF-QJPTWQEYSA-N 313.423 -0.616 30 20 DBED C=C(C)CCC(=O)N[C@H]1[C@@H]2CN(CCNS(C)(=O)=O)C[C@@H]21 1114353826 ZXZNLNKDHQLPBQ-IMRBUKKESA-N 315.439 -0.062 30 20 DBED CCN1C[C@H](C(=O)NC2[C@@H]3CN(CC#CCOC)C[C@@H]23)CC1=O 1114357847 KOJQAQCLHIKOPQ-MGPQQGTHSA-N 319.405 -0.449 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)c3n[nH]cc3F)[C@H]2C1 1114787831 YIEVTGXWFPHPPG-UXCLJVHYSA-N 321.356 -0.101 30 20 DBED CNC(=O)NCC(=O)N[C@H](C)CCCNc1ccc(C#N)nn1 1115108116 HATKDYNCPQWHBB-SNVBAGLBSA-N 319.369 -0.026 30 20 DBED C[C@@H](CCCN=c1cc[nH]c(C#N)n1)NC(=O)c1cnn[nH]1 1115114702 ONSQTTXIEZTNPT-VIFPVBQESA-N 300.326 -0.101 30 20 DBED CCOC(Cn1cc(C(=O)N2CC(O)(CC#N)C2)nn1)OCC 1116868274 ZHWXVVGBBGZKQU-UHFFFAOYSA-N 323.353 -0.222 30 20 DBED CCN(CCC#N)C(=O)C(=O)Nc1c(C(=O)OC)cnn1C 1117712362 VBZMMDWCUDDXFK-UHFFFAOYSA-N 307.310 -0.093 30 20 DBED C=CCOCCNC(=O)C(=O)N1CCSC[C@@H]1CCO 1118442985 JLMSVNHAVPPLMZ-NSHDSACASA-N 302.396 -0.368 30 20 DBED N#CCNC1(CNC(=O)C[C@@H]2CC(=O)NC2=O)CCCCC1 1120272913 VWFLQSNSCZSDKL-LLVKDONJSA-N 306.366 -0.029 30 20 DBED CCn1nccc1C(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1 1121376383 GZNOCGBISQVQRF-JTQLQIEISA-N 315.337 -0.811 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H](CO)CNC(=O)c1cccc(O)n1 1121424598 DFLBYGJCEUEMTM-LLVKDONJSA-N 313.317 -0.321 30 20 DBED CNC(=O)CCCC(=O)NC[C@H](CO)Nc1ccc(C#N)cn1 1121464895 NYXCBESUMIDVQO-GFCCVEGCSA-N 319.365 -0.241 30 20 DBED CN(C)[C@@H](C(=O)NC[C@H](CO)N=c1cc[nH]cc1C#N)C1CC1 1122154575 ZBACLCLSAFHJQA-UKRRQHHQSA-N 317.393 -0.396 30 20 DBED CO[C@H](C)CC(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1 1122408230 LNLDLAUALMVZFO-NXEZZACHSA-N 302.352 -0.623 30 20 DBED CC[C@@H](NC(C)=O)C(=O)NC[C@H](CO)Nc1cnc(C#N)cn1 1122645355 YLQHNCKVUMODRT-VXGBXAGGSA-N 320.353 -0.848 30 20 DBED CN(C[C@H](O)CNc1cncc(C#N)n1)C(=O)[C@@H]1CCOC1 1124139831 CSTQSKCJTMGATM-ZYHUDNBSSA-N 305.338 -0.384 30 20 DBED C=CCCC(=O)N(C)C[C@H](O)CNc1nccn2nnnc12 1124162466 FIBBMUHDGYVLCZ-SNVBAGLBSA-N 305.342 -0.283 30 20 DBED CN(C[C@H](O)CNc1cncc(C#N)n1)C(=O)c1cncn1C 1124593247 XGZPZNOTJZCWJW-LLVKDONJSA-N 315.337 -0.373 30 20 DBED C=CCCC(=O)NCCN[C@@H](C)C(=O)N1CCN(C(C)=O)CC1 1124651279 QYKJZAFFQITMNR-ZDUSSCGKSA-N 324.425 -0.262 30 20 DBED CCOCC(=O)N(C)C[C@H](O)CN(C)c1ccc(C#N)nn1 1124950529 GODFJRNMMLWZQU-GFCCVEGCSA-N 307.354 -0.360 30 20 DBED CCc1nc(C#N)cc(NCCOCCN(C)C(=O)C(N)=O)n1 1127458100 VESIYCWLFURNHN-UHFFFAOYSA-N 320.353 -0.717 30 20 DBED N#CCN1CCn2ncc(CNC(=O)Cc3nc[nH]n3)c2C1 1128543295 BDHPIGFXOUTXRU-UHFFFAOYSA-N 300.326 -0.801 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@H]1CC(=O)N(C(C)C)C1 1128644666 URKNTFFBLPUZJB-STQMWFEESA-N 322.409 -0.913 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(CCOC)C[C@@H]1n1ccnn1 1128976009 FEAFXOQUBISRIK-KGLIPLIRSA-N 321.381 -0.694 30 20 DBED C=CCN[C@@H]1CN(C(=O)COCCOC)C[C@@H]1n1ccnn1 1129690344 HVWLLDDUQMWTSC-OLZOCXBDSA-N 309.370 -0.531 30 20 DBED COCC#CCNCCNC(=O)[C@]12C[C@H]3C[C@@H](C(=O)N1)[C@H]2C3 1130584625 KJDQHLAUFKIFKH-VPWBDBDCSA-N 305.378 -0.743 30 20 DBED CN(C)CCC(=O)NCc1nc([C@H]2COCCN2CC#N)n[nH]1 1130857281 WKPBTQCKVFECIU-LLVKDONJSA-N 321.385 -0.731 30 20 DBED C=CCO[C@H](C)C(=O)N1CCC(=O)NCCN(CC#N)CC1 1131398742 DDWIHPLEADKMSE-CYBMUJFWSA-N 308.382 -0.248 30 20 DBED CC#CCN1C[C@H](NC(=O)CCNS(C)(=O)=O)CC[C@@H]1C 1132079151 UMADZPNADXSYNT-QWHCGFSZSA-N 315.439 -0.082 30 20 DBED Cc1cnn(C)c1C(=O)N[C@@H](C)C[C@@H](C)NCC(=O)NCC#N 1135217530 DIBSMJHZWKETKC-NEPJUHHUSA-N 320.397 -0.145 30 20 DBED C=C(C)CN(CC)C(=O)CN[C@H](C)C[C@@H](C)NC(=O)C(N)=O 1135341094 YDZGCJFMCJUNIB-VXGBXAGGSA-N 312.414 -0.231 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)COCc1ccncc1 1135752794 RHVPBKHQDRGXTF-ZDUSSCGKSA-N 318.377 -0.558 30 20 DBED CC#CCN[C@H](C)C[C@H](C)NC(=O)CN1CC(=O)N(C)C1=O 1135919289 ATXYYEGYNGULQI-NEPJUHHUSA-N 308.382 -0.223 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC2(CN(C(=O)CCOC)C2)C1 1146894266 PNMLOUJINRZDPP-ZDUSSCGKSA-N 307.394 -0.305 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC2(CN(C(=O)COCC=C)C2)C1 1147256221 OUOJZXDZEMWEIT-CQSZACIVSA-N 319.405 -0.139 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@H](NC(N)=O)C(C)(C)C 1147779141 WYLCHULNQXYANG-NSHDSACASA-N 313.402 -0.923 30 20 DBED CCCN(C)CC(=O)N1CC2(CCN(CC(=O)NCC#N)C2)C1 1148647193 QKFMMQLQBADWQH-UHFFFAOYSA-N 321.425 -0.498 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)COCCOC 1152419999 LETYYVGRZZRPBC-GFCCVEGCSA-N 314.386 -0.884 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)CNC(=O)C1CC1 1155044991 PWWIGSNRSSOTAQ-NSHDSACASA-N 310.398 -0.701 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)[C@@H](C)n1cncn1 1156805382 FTOAFZFWQAUTMT-NWDGAFQWSA-N 306.370 -0.927 30 20 DBED CC(=O)NCCOCCNCCCNC(=O)c1c[nH]c(C#N)c1 1156841460 MFBJGGZSVLNZFW-UHFFFAOYSA-N 321.381 -0.251 30 20 DBED C#CCNC(=O)CC(=O)NCCCNCc1ccn(C)c(=O)c1 1156852582 GHDIGSSSRIRDSK-UHFFFAOYSA-N 318.377 -0.879 30 20 DBED CCS(=O)(=O)NCCCNCCCNC(=O)C#CC1CC1 1157705102 LRIJXOLCVXBIIY-UHFFFAOYSA-N 315.439 -0.175 30 20 DBED C=CCOCCNCCCNC(=O)CCS(=O)(=O)NC 1157907359 YFLCFXSIIMWVSF-UHFFFAOYSA-N 307.416 -0.776 30 20 DBED N#CCNC(=O)CNCCCNC(=O)c1cc2n(n1)CCC2 1159433715 JFXCTISLGLUTQF-UHFFFAOYSA-N 304.354 -0.821 30 20 DBED COCC#CCNCCCNC(=O)[C@@]1(C)CCCS1(=O)=O 1168119694 NBNZTYARQVQJFD-CQSZACIVSA-N 316.423 -0.301 30 20 DBED C#CCNCCCC[C@H](C)NC(=O)Cn1cnc(C(N)=O)n1 1170878233 LRUKYEHNIHPCSZ-NSHDSACASA-N 306.370 -0.725 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)c2cnn(C)c2)[C@H]1C 1178089068 YYRVOHOBCLIITQ-OBJOEFQTSA-N 317.393 -0.249 30 20 DBED C=CCN1CC[C@@H](N[C@@H]2CCN(C(=O)CNC(C)=O)C2)C1=O 1180722887 QTQBCRWQKUWGFS-CHWSQXEVSA-N 308.382 -0.900 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@@H](NCc2nnnn2C2CC2)C1 1182504689 HSQSINXXFLFYKO-VXGBXAGGSA-N 318.381 -0.263 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2cc(OC)ns2)C1 1182676989 VFAQHCPPYOXKCI-SNVBAGLBSA-N 322.390 -0.295 30 20 DBED C#CCCN[C@H]1CCCO[C@@H]1C1CCN(C(=O)C(N)=O)CC1 1186134431 BXGFZIFRSJFNFG-UONOGXRCSA-N 307.394 -0.129 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)c2ccc(N(C)C)nn2)C1 1187152544 PKWAWQGCZKNLJA-CYBMUJFWSA-N 317.393 -0.004 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@@H]2CCN(C(=O)CC(=O)NC)[C@@H]2C1 1187673750 GSZKJQFUAQUUMW-FRRDWIJNSA-N 322.409 -0.654 30 20 DBED COCC#CCN1C[C@@H]2CCN(C(=O)c3cnnc(O)c3)[C@@H]2C1 1188272003 ZUOMIALJMFSPMX-GXTWGEPZSA-N 316.361 -0.022 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@H]1CCN(C(=O)c2n[nH]cc2F)C1 1192218903 YDAZRKDJRNKXNY-QWRGUYRKSA-N 321.356 -0.167 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C[C@@H](C)SC)C1 1192306752 PTHJYJUTQVLPDQ-IJLUTSLNSA-N 315.439 -0.409 30 20 DBED C=CCCCN1C[C@@H](O)[C@H](NC(=O)CCNS(C)(=O)=O)C1 1193465310 ONCUMVSIATZOHN-VXGBXAGGSA-N 319.427 -0.947 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCCN([C@H]2CCN(C)C2=O)CC1 1195806022 JSYMEXBAOCDFAV-KBPBESRZSA-N 307.394 -0.210 30 20 DBED COCC#CCN1CCCN(C(=O)[C@H]2CCCC(=O)N2)CC1 1196231838 MVYSXACNCPREFO-CQSZACIVSA-N 307.394 -0.161 30 20 DBED CC(=O)N(CC(=O)N[C@@H]1CN(CC#N)C[C@H]1O)c1ccccc1 1198904700 KHUILUOJWVQDSM-HUUCEWRRSA-N 316.361 -0.276 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2cn(CC)nn2)C[C@H]1O 1199317750 BQIHHYFJPBALLR-MRVWCRGKSA-N 323.397 -0.450 30 20 DBED C#CCNC(=O)[C@H](C)NC1CCN(C(=O)c2cc[nH]n2)CC1 1199406496 GPHWMZXNXWHVIW-NSHDSACASA-N 303.366 -0.258 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)C(=O)NCC2CC2)CCCO1 1201741999 ZPLRDYRKLLEASR-CQSZACIVSA-N 307.394 -0.257 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@@H](NC(=O)c2cc[nH]n2)C12CCC2 1202472223 WFFMYOUKELOHNR-QWHCGFSZSA-N 315.377 -0.210 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2cnnc(C)c2)[C@H](C)C1 1206899654 SOEJAKQBVTYCOG-BXUZGUMPSA-N 315.377 -0.415 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)Cn2cncn2)[C@H](C)C1 1210848935 YRYXRZGDRLIVFC-JHJVBQTASA-N 320.397 -0.595 30 20 DBED C=CCOCCN[C@@H]1CN(C(=O)[C@H]2CN(C)C(=O)N2)C[C@H]1C 1215309554 LJUOWJMOYVXPHP-JHJVBQTASA-N 310.398 -0.351 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@H]2CC=CCC2)C1 1219173662 QNAXRANZHRBEPC-MJBXVCDLSA-N 305.378 -0.747 30 20 DBED C#CCCCCC(=O)N[C@@H]1CN(CCNC(=O)C2CC2)C[C@@H]1O 1219490507 KUGIBEUJIYSDSY-CABCVRRESA-N 321.421 -0.133 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CN(CC(=O)NCC2CC2)C[C@@H]1O 1219589724 FQGDCSIHJUWAEN-KGLIPLIRSA-N 305.378 -0.913 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)[C@@H](C)NS(=O)(=O)CC)C1 1219669797 HTJWVUFPCRGSOH-UTUOFQBUSA-N 319.427 -0.948 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)c2n[nH]c3c2CCC3)C1 1219929784 KZFJFMRUQFVAJH-KGLIPLIRSA-N 320.393 -0.124 30 20 DBED C=CCCCN1C[C@H](O)[C@H](NC(=O)COc2cnn(C)c2)C1 1220227082 GWPSHTRVRQECPQ-KGLIPLIRSA-N 308.382 -0.074 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](NC(=O)[C@@H](CCC)NC(N)=O)C1 1220857230 PWBBMRDNHPGFBF-UPJWGTAASA-N 312.414 -0.049 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C[C@H](C)C2CC2)C1 1221108212 SSGDIVQXNGBXBY-YUTCNCBUSA-N 307.394 -0.667 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)CCN(C)CC)CC1 1229895111 CXMINHKORMQMIE-UHFFFAOYSA-N 308.426 -0.342 30 20 DBED C#CCN1CCS(=O)(=O)[C@@H](CCNC(=O)CCCF)C1 1230480538 CWGNBDPPLUHOCZ-LBPRGKRZSA-N 304.387 -0.025 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)c1c[nH]c(C#N)c1 1233741251 IBFQZDLSEKLFFI-AWEZNQCLSA-N 313.361 -0.218 30 20 DBED COCCCN(C)CCNC(=O)C(=O)N1CCC[C@H](C#N)C1 1262262623 SPVDBUAVJPJSPU-CYBMUJFWSA-N 310.398 -0.167 30 20 DBED CN(CC1(O)CCOCC1)C(=O)C(=O)N1CCC[C@H](C#N)C1 1262533549 IYMIOYJPWGQNFS-GFCCVEGCSA-N 309.366 -0.252 30 20 DBED C=CCn1c(CCN(C)S(N)(=O)=O)nnc1N1CCCC1 1262977802 OLXYKXLRBJNFAI-UHFFFAOYSA-N 314.415 -0.258 30 20 DBED C#CCNC(=O)CN1CCC[C@@H](NC(=O)c2cnccn2)C1 1265201139 JGVSVRMHNRVQDM-GFCCVEGCSA-N 301.350 -0.580 30 20 DBED N#CCNC(=O)CN1CCC[C@H](NC(=O)C[C@H]2CCCO2)C1 1266205778 QKEPPNSCFAXTHE-QWHCGFSZSA-N 308.382 -0.224 30 20 DBED C#CCN1CCC(C(=O)NC2CN(C[C@@H](O)COC)C2)CC1 1318089701 WSLOIZMLUJVVIE-OAHLLOKOSA-N 309.410 -0.861 30 20 DBED C#CCN(CC(=O)N1CCN(CC(=O)N(C)C)CC1)CC1CC1 1322948422 MQCFTIMTJZHLIW-UHFFFAOYSA-N 320.437 -0.436 30 20 DBED C=C(C)COCCNC(=O)C(=O)N[C@@H]1CCC[C@H]1C(=O)NC 1323587247 TUNWBQVTBSZRHQ-VXGBXAGGSA-N 311.382 -0.274 30 20 DBED C=C(C)COCCNC(=O)C(=O)N1CCC[C@@H]1C(=O)NC1CC1 1323655378 CZEDVMFLVVYISX-CYBMUJFWSA-N 323.393 -0.035 30 20 DBED CN(CCS(C)(=O)=O)C(=O)C(=O)NCC#Cc1ccccc1 1325450865 OIRKNIUYLQGAKW-UHFFFAOYSA-N 322.386 -0.343 30 20 DBED CC#CCCNC(=O)C(=O)NC[C@@H]1COC2(CCOCC2)O1 1326720997 IXDVRRRKNYQBHO-GFCCVEGCSA-N 310.350 -0.446 30 20 DBED C#CCOCCNC(=O)C(=O)NCC1([S@](C)=O)CCC1 1326802571 ZICKXSOJEVLWST-FQEVSTJZSA-N 300.380 -0.830 30 20 DBED CC1(C)NC(=O)N(CCCC(=O)N2CC[C@](O)(CC#N)C2)C1=O 1328568834 NNHMLCSAQLKYAW-OAHLLOKOSA-N 322.365 -0.026 30 20 DBED CCc1nncn1CCNC(=O)C(=O)N1CCC(C#N)CC1 1329180225 VUNWGJBSZCYDDA-UHFFFAOYSA-N 304.354 -0.281 30 20 DBED COCCN(CCN(C)C)C(=O)C(=O)N1CCC[C@@H](C#N)C1 1335507527 VYURIUXKVDGRRO-ZDUSSCGKSA-N 310.398 -0.215 30 20 DBED C=CCN1CCC(NC(=O)C(=O)N(C)CCCC(=O)NC)CC1 1341897907 JGRFSHJHNOJKHS-UHFFFAOYSA-N 324.425 -0.262 30 20 DBED C=CCn1c(-c2ncnn2C)nnc1N1CCO[C@H](C#N)C1 1342442630 JNONUZNFOASJGG-SNVBAGLBSA-N 300.326 -0.012 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N1CCC[C@H](Cn2ccnn2)C1 1343070782 SGMUAXQHCRMRRL-STQMWFEESA-N 321.381 -0.166 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)N[C@H]2CCCc3c[nH]nc32)C1 1345867808 JHIAKULNXKACJT-NHYWBVRUSA-N 317.349 -0.220 30 20 DBED C=CCN(C(=O)C(=O)N1CC[C@H](O)[C@@H](CO)C1)[C@H](C)COC 1347005286 ZTXMNWOWKLIVOR-UPJWGTAASA-N 314.382 -0.762 30 20 DBED C#CCOCCNC(=O)C(=O)N(CCN)Cc1ccccc1 1348581261 STNBJPKRJLJXSH-UHFFFAOYSA-N 303.362 -0.260 30 20 DBED N#Cc1ccccc1N1CCN(C(=O)[C@H](CO)NC(N)=O)CC1 1361716112 FNDNQMRJSGYHFL-LBPRGKRZSA-N 317.349 -0.764 30 20 DBED N#Cc1cn(CC(=O)NCC2(CO)CCCCC2)c(=O)nc1O 1362217241 UBSRXLWRUZHPEU-UHFFFAOYSA-N 320.349 -0.120 30 20 DBED CNC(=O)NC(=O)CN[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 1370358604 XZEQOKCSUHNKMJ-JTQLQIEISA-N 318.337 -0.854 30 20 DBED CC[C@H](C(=O)N1CC(NC(=O)[C@@H](C)C#N)C1)N1CCCC1=O 1374749785 KPMYZWRVZGXIMY-CMPLNLGQSA-N 306.366 -0.126 30 20 DBED C=C(Cl)CN1CC(NC(=O)CCc2nnc(O)nc2O)C1 1377895237 ILCAHVXDVJYXSE-UHFFFAOYSA-N 313.745 -0.232 30 20 DBED COCc1cc(C(=O)N(C)C[C@@H](O)CNC(=O)[C@H](C)C#N)no1 1384217659 SYHNMYOXVSQOBD-ZJUUUORDSA-N 324.337 -0.470 30 20 DBED COC[C@@H](OC)C(=O)N(C)CCNC(=O)c1cc(C#N)c[nH]1 1397895287 VVWMZLVHKYPKLO-GFCCVEGCSA-N 308.338 -0.264 30 20 DBED CNC(=O)NCC(=O)NC[C@H](O)CNCc1ccccc1C#N 1401534043 BGHBVVOACNXNOQ-CYBMUJFWSA-N 319.365 -0.946 30 20 DBED C[C@@H](C#N)C(=O)N1CC(CNC(=O)C[C@@H]2CCN(C)C2=O)C1 1409151195 QHLSZOYXRZBKJU-JQWIXIFHSA-N 306.366 -0.411 30 20 DBED COC(=O)[C@@H]1CN(C(=O)CNc2ccc(C#N)cn2)CCO1 1412526846 CWZTZVIKFNIHIW-NSHDSACASA-N 304.306 -0.234 30 20 DBED C=C(Cl)CN1CC[C@H]1CNC(=O)CCNS(C)(=O)=O 1420853141 YMSXPDLHWLAXQD-JTQLQIEISA-N 309.819 -0.131 30 20 DBED COCC(=O)NCCC(=O)NC1CCN(C(=O)[C@H](C)C#N)CC1 1427575121 STVYSMHPWRTGPP-LLVKDONJSA-N 324.381 -0.594 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CCCC(=O)N2C)C1 1428233438 IXGLLPFFDBCCFN-KKOKHZNYSA-N 306.366 -0.080 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)CCCS(C)(=O)=O)CC1 1432297188 TTYKYTXWWDNPPH-SNVBAGLBSA-N 315.395 -0.264 30 20 DBED Cc1cc(C#N)cnc1C(=O)NCC1(O)CCS(=O)(=O)CC1 1433987356 MSGPRXDZYLMVPU-UHFFFAOYSA-N 323.374 -0.069 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CN(C)C(=O)CCc1ncccn1 1444721440 ZDFIRVMADFGHAT-VXGBXAGGSA-N 319.365 -0.496 30 20 DBED C[C@H](C(=O)N(C)CCNC(=O)c1cc(C#N)c[nH]1)n1cncn1 1455193870 RBYXSFQANLKDJW-SNVBAGLBSA-N 315.337 -0.073 30 20 DBED N#CCOc1ccccc1C(=O)NC[C@@]1(O)CCS(=O)(=O)C1 1468108243 HBGZDTAZCOCLBE-AWEZNQCLSA-N 324.358 -0.132 30 20 DBED Cn1c(=O)[nH]c(N2CC(=O)N[C@H]3CCCC[C@@H]32)c(C#N)c1=O 1472729838 UKKGGDUEJCHRRG-UWVGGRQHSA-N 303.322 -0.807 30 20 DBED C#CCNC(=O)CN[C@@H](C)CCNC(=O)c1cnc(C)cn1 1484989047 QWUIWKPVDAFMLI-NSHDSACASA-N 303.366 -0.368 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C)C(=O)c1ccc2nn[nH]c2n1 1496501110 NCBCNBMNZKRHRB-QMMMGPOBSA-N 301.310 -0.299 30 20 DBED C[C@@H](C#N)C(=O)NCC1(C)CCN(C(=O)[C@H](C)NC(N)=O)CC1 1506673866 AIRGYFBPLHVDEO-QWRGUYRKSA-N 323.397 -0.052 30 20 DBED COCCN(CCNC(=O)[C@H](C)C#N)C(=O)Cc1cc[nH]n1 1511867525 PAENHVURKHEWMI-LLVKDONJSA-N 307.354 -0.297 30 20 DBED CN(CCNC(=O)c1nc2ncccn2n1)c1ccc(C#N)nn1 1565599466 YQKNLNIWHCSSLK-UHFFFAOYSA-N 323.320 -0.348 30 20 DBED C=CCN1CC[C@@H](N(C)S(=O)(=O)[C@H]2CCCNC2)C1=O 1574937427 WXFOMITWFQRMLE-NWDGAFQWSA-N 301.412 -0.213 30 20 DBED COC[C@H]1CNCCN1C(=O)CCN/C(O)=C1\N=CC=CC1=O 1578988813 ITYJBMOQKPDFTK-BFWGRDPESA-N 322.365 -0.650 30 20 DBED C#CCn1cc(CNS(=O)(=O)c2cc(C(=O)O)no2)cn1 1588509886 RQWNNDNRPWBXEE-UHFFFAOYSA-N 310.291 -0.319 30 20 DBED CN(CC#N)C[C@H](O)CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 1591037540 OKQMRYGQNWPZTP-VIFPVBQESA-N 318.341 -0.917 30 20 DBED COC(=O)CCN(CC(=O)O)S(=O)(=O)N(C)C[C@H](C)C#N 1593841693 IAFWUZWXTGINBL-SECBINFHSA-N 321.355 -0.728 30 20 DBED CCN(C[C@H](C)C#N)C(=O)CN1CCNC(=O)[C@H]1CC(=O)O 1596230157 SWLJWOBAUFNZSG-GHMZBOCLSA-N 310.354 -0.730 30 20 DBED C#CCN(CC(=O)O)C(=O)C(=O)Nc1cc(C(N)=O)ccc1C 1602679228 MGSDVLKMZNJWSG-UHFFFAOYSA-N 317.301 -0.421 30 20 DBED C=C(CCC(=O)O)C(=O)N1CCS(=O)(=O)[C@@H]2COCC[C@H]21 1602778285 NDMWJHFZRIHXPN-GHMZBOCLSA-N 317.363 -0.178 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)[C@H]2C[C@H]2C(=O)O)C1 1603700179 NRNMTZKDPVLBLN-WDEREUQCSA-N 308.334 -0.944 30 20 DBED N#CC1(CS(=O)(=O)N2CC[C@](O)(C(=O)O)C2)CCCC1 1608175694 LZXOLICEJQLJDD-GFCCVEGCSA-N 302.352 -0.078 30 20 DBED COC(=O)c1cc(S(=O)(=O)N2CCOC[C@@H]2C#N)on1 1647314073 HRINNFYTVPIOIS-ZETCQYMHSA-N 301.280 -0.626 30 20 DBED C#CCNC(=O)CN[C@@H](C)CCNC(=O)CN1CC[C@@H](C)C1 1674233444 KNUQBUKVTFZAHO-KGLIPLIRSA-N 308.426 -0.438 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CCCN2C(C)C)C1 1731432632 GBSPCWYQXQOACL-LSDHHAIUSA-N 320.437 -0.201 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1C[C@H](NC(=O)c2cnc(O)n2C)C1 1752651716 SJLNQIRBRORKSX-DCAQKATOSA-N 319.365 -0.886 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@H]1C[C@@H](NC(=O)[C@@H]2CCNC(=O)C2)C1 1752747870 FASZNOJCDNRLSB-LPWJVIDDSA-N 322.409 -0.560 30 20 DBED CC[C@@H](CNC(=O)c1ccc(C)nn1)NCC(=O)NCC#N 1753471645 QXEUCBZMNDLMQB-NSHDSACASA-N 304.354 -0.477 30 20 DBED C#CCNC[C@H]1[C@H](C)CCCN1C(=O)CN1CCN(C)C(=O)C1 1753807258 KVGBINARPNBGPL-CABCVRRESA-N 320.437 -0.390 30 20 DBED CC#CCN[C@H](CNC(=O)CCCS(N)(=O)=O)C(C)C 1753836701 CJGYGNAZSSFIDB-GFCCVEGCSA-N 303.428 -0.191 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@H]1CNC(=O)c1cn(CC)nn1 1754498095 UFNZNWQLSZAMPT-NEPJUHHUSA-N 318.381 -0.760 30 20 DBED Cc1c[nH]nc1C(=O)N1CCC[C@H]1CNCC(=O)NCC#N 1754610444 MWKVTPKNNAHXEA-NSHDSACASA-N 304.354 -0.448 30 20 DBED C=CCNC(=O)CNC[C@H]1CN(C(=O)c2ccncc2)CCO1 1754995849 OVAQITZWMNOXOQ-AWEZNQCLSA-N 318.377 -0.186 30 20 DBED C#CCOCCC(=O)N1CCO[C@H](CNCc2nccn2C)C1 1755002721 XEEMIHUQZIZYTQ-CQSZACIVSA-N 320.393 -0.223 30 20 DBED C#CCNC(=O)CN[C@H](C)[C@@H](C)NC(=O)c1cn(CCC)nn1 1755264931 ZVPYIVNSXDRIHO-VXGBXAGGSA-N 320.397 -0.466 30 20 DBED C#CCNC(=O)CN1CC(CCO)(NC(=O)[C@@H]2C[C@@H]3C[C@@H]3C2)C1 1755334951 PKJBEQLBMCIDRA-WDNDVIMCSA-N 319.405 -0.665 30 20 DBED C#CCCN1C[C@H]2C(CNC(=O)CN3CC(=O)N(C)C3=O)[C@@H]2C1 1755434167 OSVBOXBBHNPNFJ-STQMWFEESA-N 318.377 -0.802 30 20 DBED C=CCCNC[C@H](O)CN(C)C(=O)[C@H]1CCCCS1(=O)=O 1755780327 CWMMWMZYXCFZNS-QWHCGFSZSA-N 318.439 -0.061 30 20 DBED CN(C[C@H](O)CNCC#N)C(=O)c1cccnc1-n1cccn1 1755784517 PMHOUGVHPOGSKY-GFCCVEGCSA-N 314.349 -0.187 30 20 DBED C=CCCC(=O)N[C@@H](C)C1CN(C(=O)CN2C(=O)CNC2=O)C1 1756130451 PNSQUDRXKLKVCX-JTQLQIEISA-N 322.365 -0.533 30 20 DBED C=CCCC(=O)N[C@H](C)C1CN(C(=O)CN2C(=O)CNC2=O)C1 1756130453 PNSQUDRXKLKVCX-SNVBAGLBSA-N 322.365 -0.533 30 20 DBED C=C(C)CCC(=O)N[C@@H](CO)CNC(=O)c1cnnn1CC 1756518190 UURYIBPYNGEASH-LLVKDONJSA-N 309.370 -0.139 30 20 DBED C=CCCC(=O)NC[C@H](CO)NC(=O)c1cnn2ccncc12 1756519196 SZKNGYIJOBAZNL-LLVKDONJSA-N 317.349 -0.098 30 20 DBED C#CCCCC(=O)N[C@@H]1CC[C@H](CNC(=O)[C@H]2CNC(=O)N2)C1 1757369705 NUMXBTRJMGGOJR-YNEHKIRRSA-N 320.393 -0.128 30 20 DBED COC(=O)c1ccc(N2CCC(O)(C(N)=O)CC2)c(C#N)n1 1771769781 LLGQSYQZJJHUNK-UHFFFAOYSA-N 304.306 -0.444 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1nccn1C)CCO2 1783049846 WRZPBEXTSHQQSW-HNNXBMFYSA-N 302.334 -0.503 30 20 DBED CC[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC#N)[C@H]2C1 1786362058 HDVOOJJBDDCAKG-RVMXOQNASA-N 309.366 -0.349 30 20 DBED CO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC#N)C[C@@H]21 1791316628 DFUVFRVMHPOXIG-CYDGBPFRSA-N 309.366 -0.085 30 20 DBED C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@H](NC)C(=O)O 1796095379 MJXMXLRYBUSSOY-USZNOCQGSA-N 307.350 -0.680 30 20 DBED C[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)C#N)C2 1800746722 CQHUOKSCEPQHEZ-WISYIIOYSA-N 309.366 -0.493 30 20 DBED C[C@@H](S)C(=O)N1CC2(CCCN2C(=O)c2c[nH]c(=O)cn2)C1 1844764269 VLZGHQYMEAASFJ-SECBINFHSA-N 322.390 -0.095 30 20 DBED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)CN1CCCC1)C2 1846194610 WNCWVSAEEFBKER-UHFFFAOYSA-N 319.361 -0.626 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2cncc(C)c2)CC1 80003551 GNMFKJKUBVPCPE-UHFFFAOYSA-N 300.362 -0.103 30 20 DBED N#Cc1ccc(S(=O)(=O)N[C@H](CO)C(=O)O)c(Cl)c1 126032848 CVFOGDYHZYDNOF-MRVPVSSYSA-N 304.711 -0.065 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H]2C(=O)O)C1=O 262181150 WQNPLZINVDBMIZ-QMMMGPOBSA-N 309.278 -0.961 30 20 DBED Cc1cc(C#N)ccc1S(=O)(=O)N1CCO[C@H](C(N)=O)C1 265914943 YTDMZBDEHYMABB-NSHDSACASA-N 309.347 -0.259 30 20 DBED C#CCNC(=O)NC[C@@H](O)CS(=O)(=O)c1cccs1 269679138 FAVUQKLCNFGRKZ-SECBINFHSA-N 302.377 -0.185 30 20 DBED COCCN(CCC#N)S(=O)(=O)N(C)Cc1nccn1C 282752653 GJKAIBHSAWMMHH-UHFFFAOYSA-N 315.399 -0.041 30 20 DBED C=CCCOCCNC(=O)C(=O)N[C@H](C)CN1CCOCC1 284164962 WRZQLBHWYHQMJQ-CYBMUJFWSA-N 313.398 -0.468 30 20 DBED C=CCN1CC[C@@H](N2CCC3(CC2)N=C(O)N(C)C3=O)C1=O 328855020 XPBSJNBCGNAFAF-LLVKDONJSA-N 306.366 -0.006 30 20 DBED COCCN1CC[C@H](/N=C(/O)N2CCCS(=O)(=O)CC2)C1 329014095 POFVOKNCWMVBRS-LBPRGKRZSA-N 319.427 -0.258 30 20 DBED C[C@H](C/N=C(/O)N(C)[C@@H]1COC[C@H]1O)CN1CCN(C)CC1 329269247 GVKCMKWRTSJBKQ-MGPQQGTHSA-N 314.430 -0.525 30 20 DBED Cc1cc(N2CC[C@@H](/N=C(/O)Cn3cnnn3)C2=O)n(C)n1 329787541 YUVPNTZYXZGZPY-SECBINFHSA-N 304.314 -0.523 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CCS(=O)(=O)C[C@H]1C 337070931 OKWKWOOURABAIX-SNVBAGLBSA-N 309.413 -0.414 30 20 DBED CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)c1cccc(C#N)n1 339215456 BECIQTMPLOAWQN-LLVKDONJSA-N 308.363 -0.307 30 20 DBED CC(=O)Nc1ncc(S(=O)(=O)NCC(=O)NCC#N)s1 344829714 UPQAJLYNZWHVLW-UHFFFAOYSA-N 317.352 -0.980 30 20 DBED COC(=O)Cn1cc(CNC(=O)c2cnccc2C#N)nn1 345402713 LKHCUGCDDFKMMY-UHFFFAOYSA-N 300.278 -0.352 30 20 DBED N#CCN(CC#N)S(=O)(=O)c1ccc(-n2cnnn2)cc1 350653237 DLVPSYNLFQTGCL-UHFFFAOYSA-N 303.307 -0.300 30 20 DBED Cn1[nH]cnc1=NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 355231388 YNQUQLIHLITJDR-UHFFFAOYSA-N 319.346 -0.338 30 20 DBED N#Cc1ccc(NCC(=O)NCCCC(=O)NC2CC2)nc1 358704580 QEZWDYQMXFPKKO-UHFFFAOYSA-N 301.350 0.540 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N1CCN([C@H]2CCOC2)CC1 367400398 BWQDEHINAWEKSK-OLZOCXBDSA-N 310.398 -0.207 30 20 DBED C[C@H](C(=O)N1CC(O)(CC#N)C1)N1C(=O)NC2(CCCC2)C1=O 370553587 HQZYFOGAWLUBEN-SNVBAGLBSA-N 320.349 -0.274 30 20 DBED N#Cc1ccc(NC(=O)C(=O)N2C[C@H](O)C[C@H]2CO)c(F)c1 442286861 AGKDASURUVJXAF-VHSXEESVSA-N 307.281 -0.410 30 20 DBED C[C@H]1CCN(C(=O)C(=O)Nc2ccn(CCC#N)n2)[C@@H]1CO 443819853 ZCRGPUVAFAKJKM-WDEREUQCSA-N 305.338 -0.035 30 20 DBED COC(=O)[C@@H](NS(=O)(=O)c1ccc(C#N)cc1F)[C@@H](C)O 548700210 VYRIAOQVHQAGFG-HQJQHLMTSA-N 316.310 -0.102 30 20 DBED C=CCn1c(C(C)C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 548856072 BUIHANGPAMKNQF-NSHDSACASA-N 318.381 -0.266 30 20 DBED CCN(C[C@@H](C)C#N)C(=O)CN1C(=O)N[C@@]2(CCCNC2)C1=O 563079185 DEVOWTOZPAQHKX-XHDPSFHLSA-N 321.381 -0.331 30 20 DBED CC[C@@](C)(C#N)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 586752573 UQWGCSJKKMEQSA-ZDUSSCGKSA-N 316.427 -0.380 30 20 DBED CC(C)n1cc(C#N)c(NC(=O)C(=O)N[C@@H]2CO[C@H](C)C2)n1 592316524 RQJJUHLOPGOKPT-KOLCDFICSA-N 305.338 0.568 30 20 DBED CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)NCC1(C#N)CCC1 596633067 VQVDMUBWBXHTHE-UWVGGRQHSA-N 301.368 -0.209 30 20 DBED COCCN(C)CCN1C[C@H](N=c2nc[nH]cc2C#N)CC1=O 601178089 LAPXRSRIHNMFGP-CYBMUJFWSA-N 318.381 -0.639 30 20 DBED C[C@@H]1[C@H](NC(=O)N2CCN(CCC#N)CC2)CCS1(=O)=O 602373531 TURHSZOSNLEMEG-VXGBXAGGSA-N 314.411 -0.197 30 20 DBED Cc1c(C#N)c(=O)n(CC(=O)N2CCC[C@H](C)C2)c(=O)n1C 603358674 LFOSDPCKKPHFHC-JTQLQIEISA-N 304.350 -0.014 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@H](C)[C@@](C)(CO)C2)C1=O 620450377 CHCCBEAHPUBEDB-ZUZCIYMTSA-N 323.349 -0.560 30 20 DBED CC#CC[C@H](CO)NC(=O)NC[C@@H](C)CN1CCN(C)CC1 645326087 IHGDHHWOFCLZJC-HUUCEWRRSA-N 310.442 -0.057 30 20 DBED C=CC[C@@H]1CCCN(C(=O)C(=O)N2CCN(C)C[C@@H]2CN)C1 662948396 WFKGSKQBEAQEQK-KGLIPLIRSA-N 308.426 -0.098 30 20 DBED C=CCNC(=O)NC(=O)CN(CCC(=O)O)C[C@H]1CCCO1 736105751 IBRJGVIZTQJUSO-LLVKDONJSA-N 313.354 -0.046 30 20 DBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H](CO)C1CC1 771040665 ONRWXDISHKPFFY-NSHDSACASA-N 323.374 -0.388 30 20 DBED N#Cc1cnn(CCOC(=O)[C@H]2CCCCS2(=O)=O)c1N 791801089 XTLIRLFGQCTTRD-SNVBAGLBSA-N 312.351 -0.153 30 20 DBED CO[C@@H](C(=O)NS(=O)(=O)CCCC#N)c1cnn(C)c1 798847797 VJMOXTQQJFWWLE-SNVBAGLBSA-N 300.340 -0.143 30 20 DBED Cn1cc(N2CC[C@@H](NC(=O)[C@](C)(C#N)CC(=O)O)C2=O)cn1 821297646 DTZVYLWNRPZZTB-YGRLFVJLSA-N 319.321 -0.354 30 20 DBED C[C@H](C#N)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[nH]n1 824035288 WERABYDMQXXBMP-SSDOTTSWSA-N 303.330 -0.277 30 20 DBED Cc1ccc(C(=O)NCCOCCS(N)(=O)=O)cc1C#N 857255753 UZXXVCJWKMOVJE-UHFFFAOYSA-N 311.363 -0.098 30 20 DBED C#CCCOC(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 859125501 IYKNHZJHYCTQJU-UHFFFAOYSA-N 321.337 -0.892 30 20 DBED C#CC[C@@H](CCOC)NC(=O)c1cn(CC(=O)N(C)C)nn1 863788716 DCQFAPRUWVOSLM-NSHDSACASA-N 307.354 -0.476 30 20 DBED C=C(C)C[C@@H](NC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O)C(=O)O 864186957 ARJUIQDJFIKCTB-ISALQUGTSA-N 321.333 -0.367 30 20 DBED C=CCN1CC[C@@H](N(C)S(=O)(=O)N=S(C)(C)=O)C1=O 867225446 RJWQMKPSCLLQIH-SECBINFHSA-N 309.413 -0.323 30 20 DBED N#Cc1ccc(N2CCN(C(=O)[C@H]3CCO[C@@H]3CN)CC2)cn1 877296973 MSMUBRBWSFLRSV-LSDHHAIUSA-N 315.377 -0.034 30 20 DBED CC(=O)N1C[C@H]2CN(S(=O)(=O)N(C)C[C@H](C)C#N)C[C@H]2C1 882634249 QXIIKCXQHGNJNR-RTXFEEFZSA-N 314.411 -0.267 30 20 DBED C#CCN1CCC[C@@H](NS(=O)(=O)N2CCO[C@@H](C#N)C2)C1 885507995 AVICWAVLOWWTNQ-OLZOCXBDSA-N 312.395 -0.857 30 20 DBED C#CCN1CCC[C@H](NC(=O)N2CCN(C[C@H](C)O)CC2)C1 890364682 GEZBSRHIYPTAEN-GJZGRUSLSA-N 308.426 -0.208 30 20 DBED C#CC1(O)CN(C(=O)CNS(=O)(=O)c2cccs2)C1 890520841 OAQNECVIKRDFKI-UHFFFAOYSA-N 300.361 -0.767 30 20 DBED O=C(NCC#CCO)NC[C@@]1(N2CCOCC2)CCSC1 923784819 MGZJDGVPPPDIOR-AWEZNQCLSA-N 313.423 -0.511 30 20 DBED COCCN1CC(N2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)C1 941366089 LANWIMGWUNUTQV-UHFFFAOYSA-N 317.393 -0.025 30 20 DBED N#Cc1cc(C(=O)N2CC[C@@H](NC(=O)Cc3nc[nH]n3)C2)c[nH]1 942469139 OVZYGRQPPOOSSC-SNVBAGLBSA-N 313.321 -0.422 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)c2cn(C)c(O)n2)C1 944758323 ABWBJVCHZSYUTE-UWVGGRQHSA-N 321.337 -0.757 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CN2CCOCC2=O)C[C@@H]1C 947399801 KYBMSLFWWHHPDN-UONOGXRCSA-N 307.394 -0.162 30 20 DBED N#CCN1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1CNC(=O)N1 948952916 AHUIJPPPFNGTAG-UONOGXRCSA-N 313.361 -0.093 30 20 DBED N#Cc1c[nH]c(C(=O)N2[C@H]3CCC[C@H]2CN(C(=O)C(N)=O)C3)c1 952781784 MPHWUKSLMHCNHM-QWRGUYRKSA-N 315.333 -0.423 30 20 DBED C#CCCN1C[C@@H](O)[C@H](CNC(=O)c2cnn3ccncc23)C1 958145063 GQSSEDXBTZLSBT-IUODEOHRSA-N 313.361 -0.225 30 20 DBED C=CCN1C[C@@H](O)[C@H](CNC(=O)c2cc(C(N)=O)cn2C)C1 958218114 ABJXMBUEZNOBCL-DGCLKSJQSA-N 306.366 -0.668 30 20 DBED CC#CCN1C[C@@H](O)[C@H](CNC(=O)c2coc(C(N)=O)c2)C1 958281317 JQYJGGUIZWGXOF-VXGBXAGGSA-N 305.334 -0.576 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)COC 959904144 BXGKTBIMVGPFCV-ZOBORPQBSA-N 324.377 -0.338 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cncnc1 960270032 MLNWLIPGPNJPPW-KGYLQXTDSA-N 315.333 -0.312 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@H]3[C@@H]2CCCN3C(=O)C(N)=O)[nH]1 963508417 FYLHCKPCWHFHRX-RYUDHWBXSA-N 315.333 -0.423 30 20 DBED C#CCNC1CCC(N(C)C(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 964003732 BQVUNKAUXUXSDV-MCIGGMRASA-N 306.366 -0.423 30 20 DBED COc1cc(C(=O)NC[C@H]2COCCN2C(=O)[C@@H](C)C#N)on1 964161720 CXSPOVMOEFFLKK-UWVGGRQHSA-N 322.321 -0.200 30 20 DBED N#Cc1ccc(CN[C@@H]2CCN(C(=O)Cn3cnnn3)C2)s1 966889242 LTSGOGYTOZBYOK-SNVBAGLBSA-N 317.378 -0.003 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H]2CCCN(C(=O)C(N)=O)C2)c1 975183676 IPEBNNOVXDKKAI-SECBINFHSA-N 303.322 -0.660 30 20 DBED CN(CC#N)[C@@H]1CCN(C(=O)C[C@]2(C)CCS(=O)(=O)N2)C1 980265326 SXBLCWTTXCAEIS-YPMHNXCESA-N 314.411 -0.485 30 20 DBED N#CCN[C@H]1CCC[C@H](NC(=O)CN2CCC(=O)NC2=O)C1 981441158 OEIBRZBEZRYOPP-QWRGUYRKSA-N 307.354 -0.531 30 20 DBED C#CCN1CCCN(C(=O)Cc2c(C)nc(O)nc2O)CC1 982485926 AGWBMMYBRMEWKS-UHFFFAOYSA-N 304.350 -0.094 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2cnn[nH]2)C1 982968872 OBLMGNTXMHSATN-WZRBSPASSA-N 319.365 -0.026 30 20 DBED C[C@H](C#N)C(=O)N1CCC([C@@H](C)NC(=O)c2nnn(C)n2)CC1 986991179 AAPQESSRZXQJRV-NXEZZACHSA-N 319.369 -0.273 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H](NC(=O)[C@@H]2CCC(=O)N2C)C1 989266773 BKZAUEODVBYFBY-SRVKXCTJSA-N 306.366 -0.126 30 20 DBED C#Cc1cncc(C(=O)N2CC(NC(=O)[C@@H]3COCCO3)C2)c1 990284676 NVXIQDISDWFKGV-AWEZNQCLSA-N 315.329 -0.581 30 20 DBED C#Cc1ccc(C(=O)N2CC(NC(=O)c3cnn(C)c3N)C2)nc1 990957092 WVOVFCFLXCACTQ-UHFFFAOYSA-N 324.344 -0.367 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)c3cnn(C)n3)C[C@]2(C)C1 993130377 DUSHZIJSJGABSH-RWSFTLGLSA-N 316.365 -0.105 30 20 DBED C=C[C@](C)(CC)C(=O)N1CC(NC(=O)C2CC(=O)NC(=O)C2)C1 995680701 ZJPRDUFAHMBSJT-MRXNPFEDSA-N 321.377 -0.032 30 20 DBED CC1(C)CN(C(=O)CCn2cc[nH]c(=O)c2=O)C[C@H]1NCC#N 996418563 MRNKAIANAAINJQ-LLVKDONJSA-N 319.365 -0.723 30 20 DBED C[C@H](C#N)C(=O)N1CC(CNC(=O)c2cc(C(N)=O)cn2C)C1 1003400912 XXHWTGQGAMKAJT-SECBINFHSA-N 317.349 -0.528 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](NC(=O)Cn2cncn2)C(C)(C)C1 1008613681 FJABMWOTTALRCY-MNOVXSKESA-N 304.354 -0.209 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1[C@H]2CN(C(=O)CC(N)=O)C[C@H]12 1013814939 PFVRQWFUEBLNDY-RCWTZXSCSA-N 307.350 -0.974 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCN(Cc2nc(O)n[nH]2)C1 1015726057 JADYTWYJQBBSRQ-MXWKQRLJSA-N 307.354 -0.208 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC3(CCN(C(=O)CC(N)=O)C3)C2)c1 1018912801 XRROPKWPAAXUBU-UHFFFAOYSA-N 315.333 -0.564 30 20 DBED C#Cc1ccc(C(=O)N2CCC3(CN(C(=O)C(N)=O)C3)C2)nc1 1019354948 BTUASLQZIWHIBT-UHFFFAOYSA-N 312.329 -0.777 30 20 DBED C=C(C)CN[C@H]1C[C@H](NC(=O)C2CC3(C2)NC(=O)NC3=O)C1 1020734843 HUMIUNVMBJTERS-JAXYIBKZSA-N 306.366 -0.213 30 20 DBED N#CCN[C@@H]1CC[C@@H]2CN(C(=O)CN3CCC(=O)NC3=O)C[C@@H]21 1026399359 UFQXUJTXINPJIX-GRYCIOLGSA-N 319.365 -0.722 30 20 DBED C#CCN[C@@H]1CC[C@@H]2CN(C(=O)c3ccc(=O)n(C)n3)C[C@H]21 1026415095 ZAJSEGCKCQLZPJ-JHJVBQTASA-N 300.362 -0.146 30 20 DBED C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCN(C)S1(=O)=O 1032676621 AOQXHTHZIUVHPA-AVGNSLFASA-N 313.423 -0.119 30 20 DBED C#CCCN1CC[C@@H]2CN(C(=O)c3nnc(O)nc3O)CC[C@H]21 1036762919 RTBHZQXSVOCIEZ-GHMZBOCLSA-N 317.349 -0.158 30 20 DBED N#CCN1CC[C@H]2CN(C(=O)Cn3c(O)nnc3O)CC[C@H]21 1036879793 UREJCXFMYSCUKE-VHSXEESVSA-N 306.326 -0.864 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)[C@@]2(C)CCNC2=O)C1 1041963568 TYBGEWBORYBEOW-AWEZNQCLSA-N 309.366 -0.832 30 20 DBED C[C@H]1C[C@@H]1C(=O)N1CC(O)(CNC(=O)c2c[nH]c(C#N)c2)C1 1042666736 KKHJEMGKSTXXQK-CABZTGNLSA-N 302.334 -0.155 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)C2CC3(CC3)C2)C1 1043035719 BRAQQHLHZGTJTA-UHFFFAOYSA-N 320.389 -0.094 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)C[C@@H]2C[C@@H]2C)C1 1043036177 LLUDQYJAQQYUNY-STQMWFEESA-N 308.378 -0.238 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)[C@@H](F)C(C)C)C1 1043039274 DSJWVIYZAZXBFJ-ZDUSSCGKSA-N 314.357 -0.290 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)[C@@H]2CCN(C)[C@@H]2C)C1 1043262247 UANWRUGURMJFOS-ZIAGYGMSSA-N 321.421 -0.325 30 20 DBED Cc1ncn(C)c1C(=O)NCC1(O)CN(C(=O)[C@H](C)C#N)C1 1043475169 ABAAACPZPXKEEV-SECBINFHSA-N 305.338 -0.809 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2cocc2C)C1 1044885859 FYCNYCOTBMURKK-LBPRGKRZSA-N 320.345 -0.071 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)c2ncccc2F)C1 1045545970 FZJOSMQQPLEVHX-SECBINFHSA-N 306.297 -0.317 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)CCCN2CCCC2)C1 1045560485 XBVYBPGVYGMWOW-CYBMUJFWSA-N 322.409 -0.288 30 20 DBED CC#CCN1[C@H]2CC[C@H]1CN(C(=O)CN1C(=O)CNC1=O)CC2 1045887598 HRZHTNHPQIVQFN-STQMWFEESA-N 318.377 -0.373 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3nccn3C2)C1 1047435978 QPEHLHXSVUJRAJ-KKUMJFAQSA-N 316.405 -0.028 30 20 DBED C=CCCN1C[C@H](O)[C@@H](N(C)C(=O)C(=O)N2CC[C@@H](C)C2)C1 1047593031 OYSUKMCWXRLKMQ-RDBSUJKOSA-N 309.410 -0.066 30 20 DBED C=CCCOCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)OC)C1 1048428291 YPYQVPIPZTUKKO-AVGNSLFASA-N 314.382 -0.356 30 20 DBED CC(=O)N[C@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C#CC(C)C)C1 1048797884 DOEZWMLLVSQHIN-XBFCOCLRSA-N 323.393 -0.800 30 20 DBED N#CCN1C[C@H]2CN(C(=O)[C@H]3CCc4nnc(O)n4C3)C[C@H]2C1 1048899340 VMTZWDLLASMHBR-SDDRHHMPSA-N 316.365 -0.540 30 20 DBED Cc1nnc(CC(=O)N2C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)C#N)C2)o1 1049394382 JPRPZHCRDJETOR-LSJOCFKGSA-N 321.337 -0.890 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cn(CC)nn2)C1 1049402134 PUTNPMXVHKWJFU-STQMWFEESA-N 321.381 -0.092 30 20 DBED Cc1nn(C)c(=O)c(C(=O)NC[C@@H]2COCCN2CC#N)c1C 1051056118 IXTBYOPNPKVRDL-GFCCVEGCSA-N 319.365 -0.649 30 20 DBED C=CCN1CCOC[C@@H]1CNC(=O)[C@@H]1CCN(C)S1(=O)=O 1051162814 XUAGTIXEMOOGGC-RYUDHWBXSA-N 317.411 -0.977 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2COCCN2CCCO)cn1 1051217950 XTCOETXOXAQNSS-HNNXBMFYSA-N 303.362 -0.124 30 20 DBED C#CCN1CCN([C@H]2CCN(C(=O)[C@@H]3CCN(C)C3)C2)CC1 1052117655 WKJRDZKFFPIQOP-CVEARBPZSA-N 304.438 -0.210 30 20 DBED C#CCN1CC2(CC[C@H](CNC(=O)[C@@H]3CCN(C)C3=O)O2)C1 1053642927 OYXVQGPAFLAIAH-OLZOCXBDSA-N 305.378 -0.553 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)[C@@H](C)N3CCCCC3=O)CO2)C1 1054016668 HNXMPWBWKBENBU-KGLIPLIRSA-N 319.405 -0.020 30 20 DBED C#CCCCC(=O)N[C@]1(CO)CCCN(C(=O)c2nc[nH]n2)C1 1055910022 FKTUEOKESIQPKG-OAHLLOKOSA-N 319.365 -0.309 30 20 DBED N#Cc1cnc(N2CCN(C(=O)[C@@H]3CCC(=O)NC3)CC2)cn1 1056079848 ZCWHIDBIAVMSJK-LLVKDONJSA-N 314.349 -0.477 30 20 DBED C=CCOCC(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)CNC(C)=O 1056196168 ZBAZARSMYDFXMX-UONOGXRCSA-N 323.393 -0.083 30 20 DBED C=C[C@](C)(O)CC(=O)NCCN(CCO)C(=O)c1ccccn1 1056793723 UIBAOFZMMUWOLQ-INIZCTEOSA-N 321.377 -0.041 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)[C@H]1C[C@@H]1C(=O)OC 1057177584 HQUYXZLQMKJGIP-STQMWFEESA-N 324.377 -0.464 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCN(CCO)C(=O)c1cocn1 1057197792 ACSCXJOPAPVRIW-CQSZACIVSA-N 311.338 -0.448 30 20 DBED COCCOCCC(=O)N(CCO)CCNC(=O)[C@@H](C)C#N 1057981294 XGCNSWXHBAZOCQ-LBPRGKRZSA-N 315.370 -0.864 30 20 DBED Cc1nonc1CC(=O)N[C@@H]1CCN(c2ccc(C#N)nn2)C1 1058430267 OKHHYNSQVFKYJY-LLVKDONJSA-N 313.321 -0.023 30 20 DBED C=C[C@@H](CC)CC(=O)N(CCO)CCNC(=O)c1cnn(C)n1 1058468097 ADVMCYYDOSXCIP-LBPRGKRZSA-N 323.397 -0.032 30 20 DBED C=CCCCC(=O)N(CCO)CCNC(=O)c1nnn(C)n1 1058626747 XOHWDRVSXOMQEB-UHFFFAOYSA-N 310.358 -0.883 30 20 DBED C#CCCCC(=O)NCC[C@@H]1CCN(C(=O)c2nnn(C)n2)C1 1060147355 RIKJIJWXKOIAEQ-GFCCVEGCSA-N 318.381 -0.018 30 20 DBED C[C@H](NC(N)=O)C(=O)NC[C@H]1CC[C@H](NC(=O)[C@H](C)C#N)CC1 1060813304 PVUCXOBVSJQUFP-WRWGMCAJSA-N 323.397 -0.006 30 20 DBED Cn1ncc(C(=O)NC[C@@H]2CCCN2c2ccc(C#N)nn2)n1 1061376905 UWSRPVFHWQQWND-NSHDSACASA-N 312.337 -0.124 30 20 DBED C=CCCC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1CCNC(=O)C1 1061406750 LAXHFWGMUVKLKV-CHWSQXEVSA-N 323.393 -0.178 30 20 DBED CC(C)C#CC(=O)NC[C@H]1COCCN1C(=O)[C@H]1CCN(C)C1 1061568222 DNIKJTJXJBHAMV-GJZGRUSLSA-N 321.421 -0.059 30 20 DBED CC(C)C#CC(=O)NC[C@H]1COCCN1C(=O)c1cnn[nH]1 1061568820 RMRNPIVJXGLINO-NSHDSACASA-N 305.338 -0.579 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)[C@H]2CCCNC2=O)CCC1 1063372712 HGUABJPUVYFZRS-QWRGUYRKSA-N 306.366 -0.173 30 20 DBED C=CCOCC(=O)NC1(CNC(=O)C2(C(N)=O)CC2)CCC1 1064285868 YMFHRRUSLIIEAX-UHFFFAOYSA-N 309.366 -0.390 30 20 DBED Cn1ncc(C(=O)N[C@]2(C)CCN(c3cncc(C#N)n3)C2)n1 1065264146 WGBQEPFHSHWRAA-CQSZACIVSA-N 312.337 -0.124 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CN(C(=O)c2cnc(O)n2C)CCO1 1065420519 JIXCADRYQKJGKA-NXEZZACHSA-N 321.337 -0.757 30 20 DBED CN(C(=O)c1nc[nH]n1)[C@H]1CN(c2ccc(C#N)nc2)C[C@@H]1O 1065599969 URKCBZUBDCSQLO-RYUDHWBXSA-N 313.321 -0.607 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CCCN(C(=O)CC(N)=O)CC1 1066267975 QYHDRAMHOYISBX-NWDGAFQWSA-N 311.382 -0.050 30 20 DBED N#Cc1nc(=NC[C@@H]2CN(C(=O)c3cn[nH]c3)CCO2)cc[nH]1 1066581061 SULNNOYLMOXDIL-LLVKDONJSA-N 313.321 -0.554 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCCN(C)C(=O)CS(C)(=O)=O 1066959799 ZYKAJBBSXUHGEM-JTQLQIEISA-N 303.384 -0.502 30 20 DBED CCOCC(=O)N[C@@H]1COC2(C1)CN(C(=O)C#CC1CC1)C2 1068674220 JCJOYYHSVXFAGA-ZDUSSCGKSA-N 306.362 -0.078 30 20 DBED C=C(C)CCC(=O)N[C@@H]1COC2(C1)CN(C(=O)CNC(N)=O)C2 1068890366 TUGAZEYZZCTYQW-NSHDSACASA-N 324.381 -0.503 30 20 DBED N#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2cncc(F)c2)C1 1069908757 OGMFKQWZFFLHBY-OLZOCXBDSA-N 315.312 -0.009 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)Cc2cnc[nH]2)CCOCC1 1070276002 OHWJNQYBYPEDSA-NSHDSACASA-N 319.365 -0.107 30 20 DBED N#CCN1CCOC[C@H]1c1n[nH]c(CNC(=O)c2cocn2)n1 1070581798 KQPKGAJBLRIYGE-JTQLQIEISA-N 317.309 -0.380 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 1070970413 DZJXNWUNMVFQLY-INIZCTEOSA-N 320.437 -0.390 30 20 DBED CC#CCN1CC[C@]2(C1)CN(C(=O)c1nnn(C)n1)C[C@@H](C)O2 1071199365 LBWGJQOHHOBTPP-DOMZBBRYSA-N 318.381 -0.461 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C 1071926167 TVYNCIBFELFBCA-NOZJJQNGSA-N 317.349 -0.401 30 20 DBED C#CCOCCC(=O)N1C[C@H](C)[C@H](NC(=O)CNC(C)=O)C1 1072096497 AHBLIUVRYSXBFZ-WCQYABFASA-N 309.366 -0.875 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(C(=O)C2(CF)CC2)C[C@@H]1C 1072709120 JDRGZYCTNYIJOM-NWDGAFQWSA-N 323.368 -0.161 30 20 DBED C=CCn1cc(C(=O)N2CC3(CCN([C@@H](C)C(N)=O)C3)C2)nn1 1073042832 IPIXLXAVOUEGLJ-NSHDSACASA-N 318.381 -0.514 30 20 DBED C#CCCN1CCCO[C@@H](CNC(=O)c2cnn(C)c2N)C1 1073582537 NXTAPPMLRMTQRO-LBPRGKRZSA-N 305.382 -0.154 30 20 DBED COc1nccc(C(=O)NC[C@H]2CN(CC#N)CCCO2)n1 1073691223 QKUWXEDKRZMOSC-NSHDSACASA-N 305.338 -0.171 30 20 DBED C#CCCN1CCO[C@@H]2CCN(C(=O)C3CN(C(C)=O)C3)C[C@H]21 1074226261 MULUCUJCTBOGIR-HZPDHXFCSA-N 319.405 -0.210 30 20 DBED CC#CCN1CCO[C@@H]2CCN(C(=O)c3cn(C)nn3)C[C@@H]21 1074232881 HFBPVJGPLPFOHC-UONOGXRCSA-N 303.366 -0.246 30 20 DBED Cc1c[nH]c(C(=O)N2CCC(O)(CNC(=O)[C@@H](C)C#N)CC2)n1 1074600093 XVEBVTLUZOQISZ-JTQLQIEISA-N 319.365 -0.039 30 20 DBED CC(C)C#CC(=O)N[C@@H](C)CCNC(=O)[C@H]1COCCN1C 1076205554 HXAZVYMJHIADRG-UONOGXRCSA-N 309.410 -0.013 30 20 DBED CCC(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1CN(CC#N)C[C@H]1O 1077045033 TXBGSZQWZWCHFN-JHJVBQTASA-N 308.382 -0.538 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)C2(N3CCOCC3)CCCC2)C1 1077765655 XLUMAQMKWKEAGF-ZIAGYGMSSA-N 322.409 -0.684 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)c2nc3ncccn3n2)C1 1077867288 JFNLMVOXYMCIAU-NXEZZACHSA-N 322.756 -0.348 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)Cc2ccc(C(N)=O)cc2)C1 1078252543 MLHQURCHTOGAGA-ZIAGYGMSSA-N 301.346 -0.878 30 20 DBED C[C@@H](C#N)C(=O)N1CCCO[C@H](CNCc2nnnn2C)C1 1078360586 XXOUAFORHBVUBX-WDEREUQCSA-N 307.358 -0.923 30 20 DBED C=CCCC(=O)N(CC)C1CN(C(=O)c2nnc(O)nc2O)C1 1079469556 NAFHOLAZHTYBBX-UHFFFAOYSA-N 321.337 -0.078 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CCOC)C1 1081147392 OQUWOJDLIUJOFN-NWDGAFQWSA-N 300.355 -0.839 30 20 DBED N#CCSCC(=O)NC[C@@H]1CN(C(=O)c2cocn2)C[C@H]1O 1081286753 OPVBWOROURPATQ-MWLCHTKSSA-N 324.362 -0.520 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)c2nnn(C)c2C)C[C@@H]1O 1081333747 XIQOMHXMSBYVKU-RYUDHWBXSA-N 321.381 -0.361 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)c2cncn2C)C[C@H]1O 1081465975 NNAOJZKTVQLSJF-GXTWGEPZSA-N 318.377 -0.371 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(C(=O)Cc2ncc[nH]2)C[C@H]1O 1081471613 PXIJQMDCFAPZLK-QWHCGFSZSA-N 316.361 -0.699 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2conc2C)C1 1081719704 VTFYLMKIJNVCBC-DGCLKSJQSA-N 323.349 -0.265 30 20 DBED C=C1CC(C)(C(=O)NC[C@H]2CN(C(=O)CNC(C)=O)C[C@@H]2O)C1 1081752344 IBJUKHJJHCTQJC-STQMWFEESA-N 323.393 -0.586 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2ccnnc2)C1 1081797106 HGKQFPKWFQZVFF-OLZOCXBDSA-N 304.350 -0.008 30 20 DBED CCn1nc(C(=O)N2CCO[C@@H]3CN(CC#N)C[C@@H]32)ccc1=O 1083226063 FLDRZIWLGDHFER-QWHCGFSZSA-N 317.349 -0.688 30 20 DBED C[C@H](CN1CCOCC1)C(=O)N1CCO[C@@H]2CN(CC#N)C[C@@H]21 1083275972 GMPJGERFQJPQOE-QLFBSQMISA-N 322.409 -0.610 30 20 DBED N#CCN1CC[C@@H]2CCN(C(=O)[C@@H]3CCS(=O)(=O)C3)C[C@@H]21 1084984051 ZTVCAUZWFQANBM-UPJWGTAASA-N 311.407 -0.133 30 20 DBED C#CCN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1COCCN1C(C)=O 1085427988 HMRJLNGEDKDBGV-RBSFLKMASA-N 307.394 -0.116 30 20 DBED C#CCN1CCC(C(=O)N[C@@H]2CCCC[C@H]2NCC(N)=O)CC1 1085432621 HQWZTDJIIYEMAN-HUUCEWRRSA-N 320.437 -0.166 30 20 DBED N#CCN[C@@H]1CC[C@H](CNC(=O)[C@@H]2CCc3nnc(O)n3C2)C1 1086736740 DKRNGWHMWYFJSG-QJPTWQEYSA-N 318.381 -0.056 30 20 DBED CCN(c1cnc(C#N)cn1)[C@H](C)CNC(=O)[C@H]1CCC(=O)N1 1089620603 XDUMRXCVMCAAPH-ZYHUDNBSSA-N 316.365 -0.042 30 20 DBED CC(=O)NCC(=O)N1CC[C@H](Nc2cncc(C#N)n2)[C@@H]1C 1090195052 MSXXYNDKKMYQOB-CABZTGNLSA-N 302.338 -0.114 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(c2cc(F)ncn2)C[C@H]1O 1090408751 ZUNWBHJXZDXYSU-GPCCPHFNSA-N 310.329 -0.392 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(c2nccc(OC)n2)C[C@H]1O 1090418036 JROGCMNBMACNRK-HFAKWTLXSA-N 322.365 -0.522 30 20 DBED C#CCN1CC[C@H](NC(=O)c2nnn(CC)c2CC)[C@@H](O)C1 1090571654 ZIMCOOLDHALXSN-AAEUAGOBSA-N 305.382 -0.341 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2cn(CCC)nn2)[C@@H](O)C1 1090682802 MXHYDVJXTBEQPT-JSGCOSHPSA-N 305.382 -0.124 30 20 DBED C=CCCN1CC[C@@H](NC(=O)Cn2ccccc2=O)[C@@H](O)C1 1090797796 GJESJOFXRGTNFM-KGLIPLIRSA-N 305.378 -0.024 30 20 DBED C#CCCN1CC[C@@H](NC(=O)C2CCN(CC#C)CC2)[C@H](O)C1 1090830221 JOSOAJCGZITINQ-IAGOWNOFSA-N 317.433 -0.094 30 20 DBED CN(C)CCC(=O)N[C@@H]1CCN(c2ccc(C#N)cn2)C[C@@H]1O 1092175269 ZMHRBPNBQLZXAY-KGLIPLIRSA-N 317.393 -0.039 30 20 DBED COc1c(O)nc(O)nc1C(=O)NC[C@@H]1CN(CC#N)C[C@H]1C 1093131716 ZOBQNBFLUQXUAA-RKDXNWHRSA-N 321.337 -0.282 30 20 DBED C#CCO[C@H](C)C(=O)NC1[C@H]2CN(c3cncc(C#N)n3)C[C@H]12 1093312477 YBVHVIUMRXWCRQ-WXHSDQCUSA-N 311.345 -0.063 30 20 DBED CC(C)(C(N)=O)C(=O)N[C@H]1[C@@H]2CN(c3cncc(C#N)n3)C[C@@H]21 1093316669 RCOQGILVOXYQKL-IAZYJMLFSA-N 314.349 -0.589 30 20 DBED COC[C@H](OC)C(=O)NC1[C@H]2CN(c3nccnc3C#N)C[C@H]12 1093344960 MTSRDWAYTQHCGF-NHCYSSNCSA-N 317.349 -0.440 30 20 DBED CN1CCO[C@@H](C(=O)N2CCC(OC3CN(CC#N)C3)CC2)C1 1093521595 RGFXMSJHKVXSSJ-OAHLLOKOSA-N 322.409 -0.468 30 20 DBED CC#CCN1CC(OC2CCN(C(=O)[C@@H]3COC(=O)N3)CC2)C1 1093530822 JKCFGWUROYVXDM-AWEZNQCLSA-N 321.377 -0.190 30 20 DBED C#CCN1CC(OC2CCN(C(=O)c3cnnn3C)CC2)C1 1093533001 SXGXJNYLIOZTRA-UHFFFAOYSA-N 303.366 -0.246 30 20 DBED C#CCN1CC(OC2CCN(C(=O)c3c[nH]c(=O)cn3)CC2)C1 1093566587 YSZYMKCXVVYGKW-UHFFFAOYSA-N 316.361 -0.292 30 20 DBED N#Cc1cncc(NCCNC(=O)c2cccnc2C(N)=O)n1 1093664794 OZBGUQJEADLIHN-UHFFFAOYSA-N 311.305 -0.316 30 20 DBED Cn1cc(CCC(=O)NCCNc2nccnc2C#N)nn1 1093713577 ORWQXITXOSAIMN-UHFFFAOYSA-N 300.326 -0.362 30 20 DBED C[C@@H](C(=O)NCCN=c1cc[nH]c(C#N)n1)N1CCOCC1 1093731080 OIEZHHWBHINRIG-NSHDSACASA-N 304.354 -0.981 30 20 DBED Cc1noc(CCC(=O)NCCN=c2cc[nH]c(C#N)n2)n1 1094040666 QELHDSCXGWJHIG-UHFFFAOYSA-N 301.310 -0.378 30 20 DBED N#Cc1cnc(NCCCNC(=O)C(=O)NCC2CC2)cn1 1094544969 CPGAKEGMGMGSGV-UHFFFAOYSA-N 302.338 -0.207 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)[C@H](C)n3cccn3)CC2=O)C1 1094706013 UDJXKZNNGYLNNW-STQMWFEESA-N 315.377 -0.521 30 20 DBED CC#CCN1CC(N2C[C@H](NC(=O)[C@@]34COC[C@@H]3C4)CC2=O)C1 1094736449 ISANJIHMNZCGLQ-AHIWAGSCSA-N 317.389 -0.553 30 20 DBED C[C@@H]1CCN(CC(=O)N[C@H]2CC(=O)N(C3CN(CC#N)C3)C2)C1 1094786975 HTVQYNPBNYPIQA-OLZOCXBDSA-N 319.409 -0.747 30 20 DBED C=C(C)CN1CC(N2C[C@H](NC(=O)c3cnon3)CC2=O)C1 1094798971 DKUYMQDQEZYVRX-SNVBAGLBSA-N 305.338 -0.339 30 20 DBED N#Cc1cnc(NC[C@@H]2CCCCN2C(=O)CNC(N)=O)cn1 1097473228 JHQFJEAIDHEBRN-NSHDSACASA-N 317.353 -0.190 30 20 DBED COCC(=O)N[C@H](C)C(=O)NC[C@@H](C)Nc1nccnc1C#N 1098342184 NIGYEKGWUDCRKH-NXEZZACHSA-N 320.353 -0.584 30 20 DBED N#CCN(CCO)C1CCN(C(=O)C[C@H]2CCNC2=O)CC1 1098390914 ZKUKLOUJMPSILC-GFCCVEGCSA-N 308.382 -0.679 30 20 DBED C=CCNC(=O)CNCc1cn([C@H]2CCN(C(C)=O)C2)nn1 1098588374 KEFMUCFMZHCLIT-ZDUSSCGKSA-N 306.370 -0.537 30 20 DBED C[C@H](CCNC(=O)CCNC(N)=O)Nc1cnc(C#N)cn1 1099142413 XUHRVBFHZXJQLX-SECBINFHSA-N 305.342 -0.287 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)CCCC(C)=O)[C@H](O)C1 1099673653 ZIJLEKORXWABQW-HUUCEWRRSA-N 310.394 -0.053 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2cc(C)nn2C)[C@H](O)C1 1099697595 BQBSVMJFOIZCKO-DZGCQCFKSA-N 320.393 -0.457 30 20 DBED COCC#CCN1CC[C@H](NC(=O)CCc2ncc[nH]2)[C@@H](O)C1 1099803756 CWEDEJHCQCUAGW-KBPBESRZSA-N 320.393 -0.457 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CCN(CC(=O)NC(C)C)C[C@@H]1O 1099821207 RCILPFYKJYPMAK-KGLIPLIRSA-N 309.410 -0.278 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)CN(C)C(=O)COC)[C@@H](O)C1 1099863637 NIJONWSPFISIHG-STQMWFEESA-N 313.398 -0.781 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)C2(C)CCCC2)[C@@H](O)C1 1099935680 SDYUKCMIQGBQHG-KGLIPLIRSA-N 321.421 -0.133 30 20 DBED Cc1cc(C#N)nc(N(C)CCNC(=O)Cn2cncn2)n1 1100104547 LKUXNJBYORNEAP-UHFFFAOYSA-N 300.326 -0.499 30 20 DBED Cc1nsc(N(C)CCNC(=O)c2nnn(C)n2)c1C#N 1100264443 NFGZMOWYELBVAT-UHFFFAOYSA-N 306.355 -0.287 30 20 DBED N#CCNC1CC(CNC(=O)Cc2ccc(C(N)=O)nc2)C1 1100447150 PWIZGGZOMRPQHU-UHFFFAOYSA-N 301.350 -0.269 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)[C@@]2(F)CCOC2)C1 1100609591 JLCXGBPSSLZCDX-KOHJWAIASA-N 311.357 -0.651 30 20 DBED CCN(CCNC(=O)[C@@H]1CCCNC1=O)c1cnc(C#N)cn1 1100639943 DHQLTWGXJSPWGE-GFCCVEGCSA-N 316.365 -0.183 30 20 DBED CCN(CCNC(=O)[C@@H]1CCC(=O)N1C)c1cnc(C#N)cn1 1100679329 RRYCHFMMWWSJRG-LBPRGKRZSA-N 316.365 -0.088 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CC(CNC(=O)c2ncccn2)C1 1100776151 ZTVMXQJJNRKUOL-PNESKVBLSA-N 315.377 -0.288 30 20 DBED Cc1nsc(NCCN(C)C(=O)Cn2cnnn2)c1C#N 1101495558 PJHGWHKEHKETQB-UHFFFAOYSA-N 306.355 -0.120 30 20 DBED CN(CCNc1ccc(C#N)nn1)C(=O)CCc1nc[nH]n1 1101553103 BBCBDGXTUPULIR-UHFFFAOYSA-N 300.326 -0.031 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1CNC(=O)c1cccn1C 1101726385 UGTAOYBSCSCWIW-CHWSQXEVSA-N 317.393 -0.037 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)CCc1cnn(C)n1 1101968808 OWFHXEISEHPESQ-UHFFFAOYSA-N 314.353 -0.598 30 20 DBED CN(CCN=c1cc[nH]cc1C#N)C(=O)[C@H]1CCC(=O)NC1 1102027326 DGYFYJATINHGSK-NSHDSACASA-N 301.350 -0.228 30 20 DBED CC(=O)N[C@H](C)C(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(C#N)cn1 1102538135 LVJCMTNMGWGQFY-ICCXJUOJSA-N 314.349 -0.338 30 20 DBED N#Cc1nc(=N[C@H]2CC[C@H](NC(=O)CC(N)=O)CC2)cc[nH]1 1103634517 ZNBPYYUSSWWWST-MGCOHNPYSA-N 302.338 -0.515 30 20 DBED C#CCNCc1cn(C2CN(C(=O)c3cnnn3CC)C2)nn1 1105230492 JGIXFVWLTCSGKD-UHFFFAOYSA-N 314.353 -0.691 30 20 DBED N#Cc1nc(=NC[C@H](O)CNC(=O)/C=C/c2ccco2)cc[nH]1 1105712382 ZZDCNJGIHUOAQG-UFFNRZRYSA-N 313.317 -0.034 30 20 DBED C[C@@H](CC(N)=O)C(=O)N1CCC(OC2CN(CC#N)C2)CC1 1105716868 GSQDKMUFPOUEGY-NSHDSACASA-N 308.382 -0.287 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](O)CNC(=O)[C@H]2CCN(C)C2)n1 1105852886 BQQPBFPEUYHRBD-AAEUAGOBSA-N 318.381 -0.503 30 20 DBED N#Cc1cnc(NC[C@H](O)CNC(=O)Cc2ncc[nH]2)c(F)c1 1105937172 FRMYWQXKHKVQAZ-SNVBAGLBSA-N 318.312 -0.053 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)CCCCC(N)=O)nn1 1105958086 UZUMAGAZZAHNRA-LLVKDONJSA-N 320.353 -0.717 30 20 DBED N#Cc1nc(=NC[C@@H](O)CNC(=O)C2C=CC=CC=C2)cc[nH]1 1105986108 BTJXZFVEYIJIAK-CYBMUJFWSA-N 311.345 -0.042 30 20 DBED N#Cc1nccnc1NC[C@H](O)CNC(=O)c1cncnc1O 1106006629 AVYHPFIDTYNHQJ-QMMMGPOBSA-N 315.293 -0.953 30 20 DBED Cn1cc(C(=O)NC[C@@H](O)CNc2ccc(C#N)cn2)nc1O 1106093098 UQJWCIPNVPGYLN-JTQLQIEISA-N 316.321 -0.405 30 20 DBED Cc1nc(C)c(C(=O)NC[C@@H](O)CNc2ccc(C#N)nn2)[nH]1 1106110406 PKXNHUARXJHVOS-NSHDSACASA-N 315.337 -0.109 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H](O)CNC(=O)CCc1cnc[nH]1 1106150427 TVQAWENKPHJONU-ZDUSSCGKSA-N 314.349 -0.380 30 20 DBED CCN(CCNc1cnc(C#N)cn1)C(=O)CNC(=O)NC 1106983528 TZNSLTBJUNJGLP-UHFFFAOYSA-N 305.342 -0.462 30 20 DBED CN(C)C(=O)CC(=O)NC/C=C\CNc1cncc(C#N)n1 1107537662 KUMDEZVUVGRTID-ARJAWSKDSA-N 302.338 -0.089 30 20 DBED C[C@H](CNc1cncc(C#N)n1)NC(=O)CN1C(=O)CCC1=O 1107753192 ZWROZZLZYMRNKF-SECBINFHSA-N 316.321 -0.586 30 20 DBED C[C@@]1(CNC(=O)CSCC#N)CN(CCCO)CCO1 1107753989 PXHGULZXADCKBD-CYBMUJFWSA-N 301.412 -0.167 30 20 DBED CC(=O)NCC(=O)N[C@@H](C)CN(C)c1nc(C)cc(C#N)n1 1108811621 JHRVWPVDIDHWDW-JTQLQIEISA-N 304.354 -0.266 30 20 DBED C[C@H](CN(C)c1ncc(C#N)cc1F)NC(=O)Cn1ncnn1 1109118510 GBZDCKIITXIILB-SECBINFHSA-N 318.316 -0.280 30 20 DBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cnnn1C 1109218511 LFWAGIJSQPFQHC-WOPDTQHZSA-N 318.381 -0.548 30 20 DBED CN(CCCNc1cnc(C#N)cn1)C(=O)CS(C)(=O)=O 1109381079 DZVTXCJIMFZNOW-UHFFFAOYSA-N 311.367 -0.347 30 20 DBED CN(CCCN=c1cc[nH]cc1C#N)C(=O)Cn1ncnn1 1109528101 HGUSNQWQHZNUFA-UHFFFAOYSA-N 300.326 -0.678 30 20 DBED N#Cc1ccc(NC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C2CC2)cn1 1109963816 QBNCXXHYZNHKNZ-OLZOCXBDSA-N 314.349 -0.059 30 20 DBED COC[C@H](OC)C(=O)N(CCO)CCNc1ccc(C#N)nc1 1111555832 GGNYYEJRUQJNJH-AWEZNQCLSA-N 322.365 -0.153 30 20 DBED CCO[C@H](C)C(=O)N1CCO[C@@H](CN=c2cc[nH]c(C#N)n2)C1 1111934727 IIBKITFLEREMGV-NEPJUHHUSA-N 319.365 -0.166 30 20 DBED CSCC(=O)NC[C@H]1CN(c2ccnc(C#N)n2)C[C@H]1O 1112697045 JNFKRMTXOWKBBG-VHSXEESVSA-N 307.379 -0.375 30 20 DBED CN(C[C@H]1CCCN1C(=O)CNC(N)=O)c1ccc(C#N)nn1 1112779671 GNCHATNXJZYHFZ-LLVKDONJSA-N 317.353 -0.556 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)C(C)(C)COC)CC1 1113104595 JINACVABIODAIN-ZDUSSCGKSA-N 309.410 -0.059 30 20 DBED C[C@@H](CNC(=O)[C@H]1COCCO1)N(C)c1cnc(C#N)cn1 1113501714 NBXQZSVPKHEURJ-CMPLNLGQSA-N 305.338 -0.295 30 20 DBED C[C@H](CNC(=O)c1nnn(C)n1)N(C)c1ccc(C#N)nn1 1113815103 UEGGUWFVAACUNO-MRVPVSSYSA-N 301.314 -0.874 30 20 DBED Cc1cc(C(=O)N[C@H]2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]32)nn1C 1113947542 CEFSIEUMCLCJES-YABSGUDNSA-N 316.365 -0.972 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)c3cn(C)cn3)[C@@H]2C1 1114136189 DQQZIXYWXWBRFA-QJPTWQEYSA-N 315.377 -0.782 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)[C@@H](C)n3cncn3)[C@H]2C1 1114146610 DIDGTLYECKYGCU-MQYQWHSLSA-N 303.366 -0.465 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1[C@@H]2CN(CC[C@H]3CCCO3)C[C@@H]21 1114159719 KINMHQUYPAMUGN-WVZRYYJFSA-N 319.405 -0.259 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)C3(CC#C)CCC3)[C@@H]2C1 1114397378 MBGPAJGBZYQKJW-ZIAGYGMSSA-N 313.401 -0.024 30 20 DBED C=CCCCN1C[C@H]2C(NC(=O)CNC(=O)CNC(C)=O)[C@@H]2C1 1114481153 WGJYYCNLEGXTSA-CHWSQXEVSA-N 322.409 -0.749 30 20 DBED C=CCCCN1C[C@H]2[C@H](NC(=O)CN3CCN(C)C(=O)C3)[C@H]2C1 1114496591 PFWFUAKHJOTGSJ-HALDLXJZSA-N 320.437 -0.227 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)CCn3ccnc3)[C@H]2C1 1114652672 RJCGULWHUQWWKT-VIKVFOODSA-N 315.377 -0.931 30 20 DBED Cc1conc1C(=O)NC1[C@H]2CN(CC(=O)NCC#N)C[C@H]12 1115075108 ZASWKZYGZCMADP-UWVGGRQHSA-N 303.322 -0.717 30 20 DBED C=C(C)CCN1C[C@H]2[C@H](NC(=O)CC[C@@H]3NC(=O)NC3=O)[C@H]2C1 1115217105 ODBYCPKTDHHUBT-KZVDOYCCSA-N 320.393 -0.013 30 20 DBED C[C@@H]1C(=O)NCCN1C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1116040825 YKZYJBNJCCYOAJ-IAJSMXOOSA-N 321.337 -0.957 30 20 DBED C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)NC[C@H](O)CO 1116721746 QAAVDQONISDGIT-UWVGGRQHSA-N 307.306 -0.615 30 20 DBED CCCn1cc(NC(=O)C(=O)NCCn2cnc(C#N)n2)cn1 1117412190 OXVLHMYVEJMQGD-UHFFFAOYSA-N 316.325 -0.489 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H](N3CCCC3)C2)CCO1 1117844805 RAWPNXRUPQZVBQ-KGLIPLIRSA-N 320.393 -0.176 30 20 DBED C=CCCSCCNC(=O)C(=O)N1CCC(O)(CO)CC1 1118631179 QZVOEQABAMZHQZ-UHFFFAOYSA-N 316.423 -0.242 30 20 DBED CC(C)[C@H](N)CNC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1119293893 JCXYUUOBRRNHGN-QWHCGFSZSA-N 307.398 -0.715 30 20 DBED C[C@H](CN(C)C(=O)C(=O)NCC1CC1)N=c1cc[nH]c(C#N)n1 1119984613 ATTHFVWKERVORI-SNVBAGLBSA-N 316.365 -0.445 30 20 DBED CC(=O)N(C)CC(=O)NC[C@H](CO)Nc1ncccc1C#N 1121086540 WZRJOKCBCVCNKO-GFCCVEGCSA-N 305.338 -0.679 30 20 DBED C[C@@H](C(=O)NC[C@@H](CO)Nc1cncc(C#N)n1)n1cccn1 1121220465 GFTRYSXSWVCELX-JQWIXIFHSA-N 315.337 -0.305 30 20 DBED N#Cc1cccnc1N[C@H](CO)CNC(=O)c1nccnc1N 1121228734 MGBBOFBIWDJNBE-JTQLQIEISA-N 313.321 -0.472 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@H](CO)Nc1nccnc1C#N 1121404522 GPGJKLZWUKOFOI-IINYFYTJSA-N 305.338 -0.436 30 20 DBED Cc1ccn(CC(=O)NC[C@@H](CO)Nc2ccc(C#N)nn2)n1 1122593466 NZKJFIDKADMGPC-LBPRGKRZSA-N 315.337 -0.558 30 20 DBED CC[C@@H](C(=O)N(C)C[C@@H](O)CNc1nccnc1C#N)N(C)C 1124453364 AGBDEPOSMSOYCP-AAEUAGOBSA-N 320.397 -0.080 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)c1ccn(C)c1 1125667473 OLQHOBVQJKOLAJ-NSHDSACASA-N 321.381 -0.255 30 20 DBED C#CCNC(=O)CC(=O)NCCN[C@@H](C)c1nc(CC)no1 1125997507 ACCUMODEIKDQNI-JTQLQIEISA-N 307.354 -0.462 30 20 DBED CNC(=O)CC(=O)NCCN(CCOC)c1ccnc(C#N)n1 1126308077 GNFDHODPVXILOA-UHFFFAOYSA-N 320.353 -0.947 30 20 DBED C#CCNCc1nnc2n1CC[C@@H](NC(=O)[C@H](C)C#N)CC2 1127964698 NRNFVTPXMLKKFQ-NEPJUHHUSA-N 300.366 -0.018 30 20 DBED CC[C@@H](C(N)=O)N1CCn2ncc(CNC(=O)[C@@H](C)C#N)c2C1 1128264678 PGVGKBAZIJUEMY-JQWIXIFHSA-N 318.381 -0.262 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1CN([C@@H](C)C(N)=O)C[C@@H]1n1ccnn1 1129159825 XSTPNCPWBQQZNT-TUAOUCFPSA-N 320.397 -0.294 30 20 DBED C#CCCN1CCNC(=O)CCN(C(=O)COCC=C)CC1 1131339510 FTQNADWAXCCLHC-UHFFFAOYSA-N 307.394 -0.137 30 20 DBED C=CCOCCNCCNC(=O)[C@H]1CCc2nnn(C)c2C1 1132920834 PDFOALSIYXJXRV-LBPRGKRZSA-N 307.398 -0.172 30 20 DBED C[C@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C[C@@H]1CNCC#N 1133165168 CGIIBAIDDKMKKP-JQWIXIFHSA-N 306.366 -0.363 30 20 DBED N#CCNC(=O)CNCCNC(=O)CCOc1ccc(F)cc1 1133215206 VOQOUCWYAXPANX-UHFFFAOYSA-N 322.340 -0.060 30 20 DBED C[C@H]1CCN(C(=O)CN2C(=O)CN(C)C2=O)C[C@H]1CNCC#N 1133306892 RMCCWHZLZRYDJM-NWDGAFQWSA-N 321.381 -0.522 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)C(=O)N1CCC[C@@H](C)C1 1134878162 RVYHUWDXVVNVBD-OLZOCXBDSA-N 324.425 -0.359 30 20 DBED N#Cc1ccccc1CNCCNC(=O)C1CC(=O)NC(=O)C1 1135270448 XXRJMNFTAPIKSZ-UHFFFAOYSA-N 314.345 -0.183 30 20 DBED C=CCNC(=O)CN1CCC2(C1)CN(C(=O)CNC(=O)OC)C2 1147083120 PSKGBURUOZRDJE-UHFFFAOYSA-N 324.381 -0.821 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)[C@H](NC(C)=O)C(C)C)C1=O 1148465834 OFMYOUKUHKAJRX-ZIAGYGMSSA-N 324.425 -0.360 30 20 DBED CC#CCN1CCCO[C@@H](CNC(=O)C[C@H]2CCC(=O)N2)C1 1150434668 CWGBUAWGNWXEEQ-KGLIPLIRSA-N 307.394 -0.115 30 20 DBED C=C[C@](C)(O)CC(=O)NCCCNC[C@H](O)Cn1cccn1 1157201984 OKAMIKJCDSBTCG-ZFWWWQNUSA-N 310.398 -0.333 30 20 DBED CCNC(=O)NC(=O)[C@H](C)NCCCNC(=O)C#CC1CC1 1157699005 MBFHZWZZQJWAKP-NSHDSACASA-N 308.382 -0.270 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1cc(C2CC2)n(C)n1 1159421917 USOHDYSFPSCCHI-UHFFFAOYSA-N 317.393 -0.244 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCCN[C@H](C)C(=O)NCC=C 1160209202 CVDDSNZWGNTGCM-CABCVRRESA-N 320.437 -0.129 30 20 DBED C#CCNC(=O)CNCCCNC(=O)Cc1ncc(CC)[nH]1 1160242828 KAVNDKUWHDRGTB-UHFFFAOYSA-N 305.382 -0.640 30 20 DBED C#Cc1ccc(C(=O)NCCCN[C@H](C)C(=O)NC(N)=O)cc1 1163748260 CLERZVUSSWIDRZ-LLVKDONJSA-N 316.361 -0.039 30 20 DBED C=CCNC(=O)CNCC1(CCNC(=O)c2cnnn2C)CC1 1164358567 FRALLSYBBYOMRJ-UHFFFAOYSA-N 320.397 -0.393 30 20 DBED C=C(C)CNCCCNC(=O)Cn1ncn2nccc2c1=O 1167542546 XKSOWZMRAVJEDB-UHFFFAOYSA-N 304.354 -0.437 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@@H](C)N1CCCCC1=O 1176851131 TVNUALSOELITBW-CYBMUJFWSA-N 322.409 -0.767 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)CCCn3cncn3)C[C@H]21 1177125742 SHQOHPKKMNNYBG-CABCVRRESA-N 317.393 -0.007 30 20 DBED C#CCOCCC(=O)N1CC[C@H](N[C@H](C)c2nnnn2C)[C@@H]1C 1178682244 ZOYVNOXILWVPBA-AGIUHOORSA-N 320.397 -0.110 30 20 DBED C[C@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)C12CCN(CC1)C2 1179929442 OFIADPOSBGDSKZ-STQMWFEESA-N 319.409 -0.699 30 20 DBED C#CCNC[C@@H]1CCN(C(=O)CCn2ncn(C)c2=O)C[C@@H]1C 1184873175 QXUFNLOMVOVYIG-KBPBESRZSA-N 319.409 -0.321 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)C[C@@H](C)n2ccnc2)C1 1185959430 KDQIOFJVPSXNTP-ZIAGYGMSSA-N 317.393 -0.226 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN([C@@H](C)c2nnc(C)o2)C[C@H]1O 1192878509 GMCJRVGZGQRJLH-CYZMBNFOSA-N 322.365 -0.360 30 20 DBED N#CCNC(=O)CN1CCCN(C(=O)CCCCC(N)=O)CC1 1197729253 GICFGPJYVPVXSQ-UHFFFAOYSA-N 323.397 -0.794 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN([C@@H](C)c2n[nH]c(C)n2)C[C@H]1O 1199307320 IFHBMAIAFZJNMA-CYZMBNFOSA-N 323.397 -0.072 30 20 DBED CCCS(=O)(=O)CC(=O)N1CCCO[C@H](CNCC#N)C1 1202087905 OSSXOCPQIJAJKC-GFCCVEGCSA-N 317.411 -0.458 30 20 DBED COCC#CCN[C@H]1C[C@H](NC(=O)CCNC(N)=O)C12CCC2 1203711337 JGJGUJZBVPKVCZ-STQMWFEESA-N 322.409 -0.288 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC(CN[C@H](C)C(=O)NC)CC1 1205264898 JXQKXWGPUNDGCP-CHWSQXEVSA-N 309.410 -0.013 30 20 DBED C#CCOCCC(=O)N1CCC[C@H](N[C@H](C)c2nnnn2C)C1 1208025776 RLLNKKHYRJOFHK-OLZOCXBDSA-N 320.397 -0.108 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)[C@]2(C)CCNC2=O)C1 1209614726 QAENAYKWXQTXQS-BLLLJJGKSA-N 322.409 -0.605 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)c2ccncn2)C1 1210208844 WAGQCMQRWSBXLO-CHWSQXEVSA-N 315.377 -0.191 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)c2[nH]cnc2C)[C@H](C)C1 1211482375 RHBSPZOCPWTMSK-RAIGVLPGSA-N 317.393 -0.094 30 20 DBED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)c1cc(C)no1 1211845084 PYYGRQWQTUPKKD-ZYHUDNBSSA-N 321.337 -0.948 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)C[C@H]2CCCO2)[C@H](OC)C1 1211906234 OUOAOUAYTARWFZ-MGPQQGTHSA-N 323.393 -0.880 30 20 DBED CO[C@@H]1CN(CCN2C(=O)CCC2=O)C[C@H]1NC(=O)[C@H](C)C#N 1212045779 WGCZBFZKRZSTBA-IJLUTSLNSA-N 322.365 -0.890 30 20 DBED CO[C@@H]1CN(Cc2nc(=O)n(C)[nH]2)C[C@H]1NC(=O)C#CC(C)C 1212231260 SDBFNXFZRFIUEN-VXGBXAGGSA-N 321.381 -0.917 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CN(CC(=O)N(C)C)C[C@H]1OC 1213961843 UEOZBYOWIQEJPD-YNEHKIRRSA-N 313.398 -0.519 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2nncn2C)C[C@H]1OC 1213966463 QIOBDDIOKIMTHO-JHJVBQTASA-N 323.397 -0.278 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H](C)n2cncn2)C[C@H]1C 1214454391 KSVMPKHBSNQNNL-JHJVBQTASA-N 318.381 -0.975 30 20 DBED CC/C=C(\C)C(=O)N1CCO[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1217435744 QPWDDNFLVKNDOM-QSTROWBPSA-N 320.393 -0.106 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H]2CN(CCNC(=O)C3CC3)C[C@@H]21 1217532487 KREZLYDRNNRLQN-FPMFFAJLSA-N 320.393 -0.416 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H](C)NC(=O)COC 1217975280 ANOUOHFQUGRZJZ-MELADBBJSA-N 323.393 -0.928 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(Cc2ccnn2C)C[C@@H]1O 1219527559 UQKADRMIPFUUBM-IPYPFGDCSA-N 308.382 -0.592 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)Cn2nc(C)cc2C)C1 1219973499 GNDKYPNCMPLNSO-CABCVRRESA-N 322.409 -0.136 30 20 DBED CC#CCCCC(=O)N[C@@H]1CN(CCN2CCNC2=O)C[C@@H]1O 1220184564 KSOSPVWPGUWUTQ-KGLIPLIRSA-N 322.409 -0.634 30 20 DBED CCc1ncoc1C(=O)N[C@@H]1CN(CC#CCOC)C[C@@H]1O 1220317905 ACTCFPAGQRQWCO-OLZOCXBDSA-N 307.350 -0.338 30 20 DBED CCn1cccc1C(=O)N[C@@H]1CN(CC#CCOC)C[C@@H]1O 1220981579 YHVXAUYIQLBRSV-HIFRSBDPSA-N 305.378 -0.067 30 20 DBED C=CCC[C@H](C)N1C[C@H](O)[C@H](NC(=O)CS(=O)(=O)CC)C1 1221085310 HVLLQTJIMYESGC-XQQFMLRXSA-N 318.439 -0.063 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)[C@@H]3CCOC3)[C@@H]2C1 1221387887 WXMBQUFOIXBTGP-MGPQQGTHSA-N 305.378 -0.695 30 20 DBED COCC#CCN1CCC(CNC(=O)CN(C)C(C)=O)CC1 1222425288 AABXVOWZMIESJY-UHFFFAOYSA-N 309.410 -0.057 30 20 DBED Cc1cc(C(=O)NCC2CCN(CC(=O)NCC#N)CC2)n[nH]1 1222500903 MFCYQYVRHRHVTQ-UHFFFAOYSA-N 318.381 -0.200 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)[C@H](CC)OC)CC1 1222574001 PRPJLZRSOAXANK-AWEZNQCLSA-N 309.410 -0.011 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC(NC(=O)[C@H](O)C(C)C)CC1 1227211867 OQWABXYWAIYBAS-TZMCWYRMSA-N 309.410 -0.278 30 20 DBED CN(C)C1(C(=O)NC2CCN(CC(=O)NCC#N)CC2)CCC1 1227792994 WXFDPIRLIHJICQ-UHFFFAOYSA-N 321.425 -0.309 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1ccnnc1 1228753772 MOIQKAPKFWPJNS-ZIAGYGMSSA-N 315.377 -0.143 30 20 DBED Cc1ncc(C(=O)N(C)C[C@@H]2CCN2CC(=O)NCC#N)[nH]1 1231208568 JBIVVODYHCSWPT-NSHDSACASA-N 304.354 -0.496 30 20 DBED COCC#CCN1CC[C@@H]1CN(C)C(=O)C[C@H]1CCNC1=O 1235280791 KTIFQHNMMZLOEW-ZIAGYGMSSA-N 307.394 -0.305 30 20 DBED CN(CC(=O)N1CCOCC1)Cn1nc(CC#N)n(C)c1=S 1256376754 OAIKWGBQLDFOJA-UHFFFAOYSA-N 324.410 -0.235 30 20 DBED C=CCN(CCOC)C(=O)C(=O)NCC1(S(C)(=O)=O)CC1 1261172635 OKDVWGLBULCVCE-UHFFFAOYSA-N 318.395 -0.659 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)N(CCCCO)C2CC2)C1 1261484941 NJWTVUJMJPSOTC-HNNXBMFYSA-N 309.366 -0.373 30 20 DBED COC(=O)CN(CC#N)C(=O)C1CCC2(CC1)NC(=O)NC2=O 1318637904 PKTMQRURDWBIRI-UHFFFAOYSA-N 322.321 -0.720 30 20 DBED C[C@@](CO)(NC(=O)NCCN/C(O)=C1/N=CC=CC1=O)C1CC1 1319247907 NCXKGZDGXLHDSC-LLNWESEBSA-N 322.365 -0.027 30 20 DBED CCN(C)C(=O)COC(=O)CCN/C(O)=C1/N=CC=CC1=O 1322045760 VOKLQHDPZASUQF-YPKPFQOOSA-N 309.322 -0.076 30 20 DBED C[C@@]1(C2CCN(CC(=O)NCCC#N)CC2)NC(=O)NC1=O 1322422674 OKVNTHBXKCODCN-AWEZNQCLSA-N 307.354 -0.674 30 20 DBED C[C@H](CNC(=O)C(=O)NCC#Cc1ccccc1)S(C)(=O)=O 1322885031 LKUCUOPDLCMLOE-GFCCVEGCSA-N 322.386 -0.296 30 20 DBED C=CCn1c(O)nnc1S(=O)(=O)CCS(=O)(=O)CC 1323362431 MZTLJDQVBSKJES-UHFFFAOYSA-N 309.369 -0.622 30 20 DBED C=CCS(=O)(=O)CCNC(=O)NC[C@H](O)c1cnn(C)c1 1325186766 BNVASZBCTLGRKX-NSHDSACASA-N 316.383 -0.647 30 20 DBED C[C@H]1[C@@H](C)N(C(=O)C(=O)N2CC[C@](F)(C#N)C2)CC[S@]1=O 1325834138 YERXTQYTDSFXHD-UPOTYTSGSA-N 315.370 -0.182 30 20 DBED CC(C)CNC(=O)CNC(=O)C(=O)Nc1cccc(C#N)n1 1326037286 ICVMPSGSWJEHEL-UHFFFAOYSA-N 303.322 -0.220 30 20 DBED C=CCN1CC[C@@H](N2CCC(n3cc(C(N)=O)nn3)CC2)C1=O 1328885456 SAUFBKGFTIRNBX-CYBMUJFWSA-N 318.381 -0.199 30 20 DBED C=CCCOCCNC(=O)C(=O)N1CCO[C@@H](C(=O)OC)C1 1329478617 DBWIQHDNTCFREH-LLVKDONJSA-N 314.338 -0.904 30 20 DBED CN(CCOCCO)C(=O)C(=O)NCCc1ccc(C#N)cc1 1329689822 TUADRGVUYBXMBH-UHFFFAOYSA-N 319.361 -0.316 30 20 DBED CN[C@@H]1CCN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1 1330568428 TVQNICJQNPXYQU-DGCLKSJQSA-N 305.382 -0.995 30 20 DBED C=CCN(C(=O)C(=O)NCc1nnc(C)n1C)[C@H](C)COC 1330893608 MIEPNPMLJDSXII-SNVBAGLBSA-N 309.370 -0.211 30 20 DBED C=CCSCCn1nnnc1N1CCN2C(=O)NC(=O)[C@H]2C1 1333939778 DRJOVTZYBXXEIT-SECBINFHSA-N 323.382 -0.667 30 20 DBED Cn1cccc1C(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1343710372 ZLOJPAAYZNIVTL-OWBHPGMISA-N 316.317 -0.150 30 20 DBED CNC(=O)[C@H]1CN(C(=O)c2cccc(C#CCO)c2)CCO1 1350716909 PHHXMXMPJJCMOT-CQSZACIVSA-N 302.330 -0.383 30 20 DBED C=C(Cl)CNC[C@H](C)NC(=O)Cn1ccc(O)nc1=O 1374908203 NBCKAEGSRIIJCX-VIFPVBQESA-N 300.746 -0.204 30 20 DBED C[C@H](CN(C)C(=O)[C@H]1CCC(=O)N1)NC(=O)c1cc(C#N)c[nH]1 1381911656 BZWOERCUKLOSJL-MWLCHTKSSA-N 317.349 -0.258 30 20 DBED C=C(Cl)CN1CC[C@](O)(CNC(=O)Cc2n[nH]c(C)n2)C1 1402276836 RYDGZKKNNBXQSD-ZDUSSCGKSA-N 313.789 -0.039 30 20 DBED Cc1nnc2n1C[C@@H](C(=O)NCCN(C)C(=O)[C@@H](C)C#N)CC2 1408585444 QMNTVAHOTNQEPR-JQWIXIFHSA-N 318.381 -0.117 30 20 DBED Cn1[nH]c(C2CCN(C(=O)Cn3cnc(C#N)n3)CC2)nc1=N 1412889589 MISPUXUZMILJFB-UHFFFAOYSA-N 315.341 -0.903 30 20 DBED CN(C[C@H](O)CNC(=O)[C@@H]1CCOC1)C(=O)c1cc(C#N)c[nH]1 1413262009 XVTVPMLDNGYNAY-VXGBXAGGSA-N 320.349 -0.528 30 20 DBED C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)Cn1cc(C#N)c(O)nc1=O 1417650663 QGXJTDUPDPMFSK-PWSUYJOCSA-N 319.365 -0.381 30 20 DBED C=C(Br)CN1CC[C@H]1CNC(=O)Cn1ncnn1 1420840906 ZOAIVZPNGYMQTP-VIFPVBQESA-N 315.175 -0.228 30 20 DBED C=C(Br)CN1CC(CNC(=O)Cn2ncnn2)C1 1421127447 NDVNNQQQSDZXFY-UHFFFAOYSA-N 315.175 -0.370 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]1CN(C)C(=O)C1(NC(N)=O)CC1 1428996869 PQBXTSIQYZITBP-ZJUUUORDSA-N 307.354 -0.594 30 20 DBED Cc1cc(NC(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)ncc1C#N 1434738636 SSPVSYAQXPPRQF-NXEZZACHSA-N 310.335 -0.459 30 20 DBED C[C@H](O)CN1CCN(CCNC(=O)c2cc(C#N)c[nH]2)CC1 1436698426 MHVQPVIKASQASC-LBPRGKRZSA-N 305.382 -0.385 30 20 DBED CCNC(=O)NC(=O)CNC1(CNC(=O)[C@H](C)C#N)CCC1 1447181054 HYPDSSCZEABWNH-SNVBAGLBSA-N 309.370 -0.380 30 20 DBED N#Cc1ccc(C(=O)N2CC(NC(=O)CCc3cnn[nH]3)C2)[nH]1 1450524917 SGXFJLSRQWMBMY-UHFFFAOYSA-N 313.321 -0.422 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]1CNC(=O)CCCn1cncn1 1458816911 SHMCXRCMRKPMHE-RYUDHWBXSA-N 304.354 -0.065 30 20 DBED CC[C@H](C)NC(=O)CCNC(=O)Cn1cc(C#N)c(O)nc1=O 1464369466 VGVCDZBRJKVKIT-VIFPVBQESA-N 321.337 -0.758 30 20 DBED CCN(CCNC(=O)[C@H](C)C#N)C(=O)[C@@H](C)CS(C)(=O)=O 1496938755 QNUGMLMOEJRXII-MNOVXSKESA-N 317.411 -0.209 30 20 DBED N#Cc1ccc(CNC[C@@H](O)CNC(=O)c2cnn[nH]2)s1 1497006284 QSEXUHOCNIEHHN-MRVPVSSYSA-N 306.351 -0.382 30 20 DBED CC(=O)NCC(=O)N(C)C[C@@H](C)NC(=O)c1cc(C#N)c[nH]1 1510433969 HHLIZFUXLOTLDY-SECBINFHSA-N 305.338 -0.401 30 20 DBED Cc1ccncc1CC(=O)N[C@@H]1CCN(CC(=O)NCC#N)C1 1566664873 COAUORJVCCVNMO-CQSZACIVSA-N 315.377 -0.237 30 20 DBED C#CCOCCC(=O)NC1CCN(C(=O)[C@@H]2C[C@H]2C(=O)O)CC1 1573310925 FHLNPYSGXXRYTF-CHWSQXEVSA-N 322.361 -0.146 30 20 DBED N#Cc1ncc(N[C@@H]2CCCN(C(N)=O)C2)nc1-c1nn[nH]n1 1581882509 BOSAXYDYYZTPHI-SSDOTTSWSA-N 314.313 -0.517 30 20 DBED C#CCNC(=O)N1CCN(c2ccc(-c3nn[nH]n3)nc2)CC1 1588353750 DUGZNXGZHMQGCK-UHFFFAOYSA-N 312.337 -0.274 30 20 DBED C#CC[C@@H](NC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)C(=O)O 1588399111 QJWAGYCAPSQLEQ-SNVBAGLBSA-N 323.330 -0.923 30 20 DBED N#Cc1nc(N)n(CC(=O)Nc2ccccn2)c1-c1nn[nH]n1 1592706575 YFUXYVRCDBVZDM-UHFFFAOYSA-N 310.281 -0.449 30 20 DBED C[C@H](CS(C)(=O)=O)NC(=O)N1CCC(C#N)(C(=O)O)CC1 1592816733 ZGQSLEUFCNRJMM-SECBINFHSA-N 317.367 -0.181 30 20 DBED O=S1(=O)CC[C@H](NN=Cc2cccc(-c3nn[nH]n3)c2)C1 1593462942 BCNBZHGRNIYUOL-NSHDSACASA-N 306.351 -0.023 30 20 DBED N#Cc1cn(CCNC(=O)[C@@H]2CC[C@H]2C(=O)O)c(=O)nc1O 1594633390 RPUOZGQUCYXJFT-RKDXNWHRSA-N 306.278 -0.952 30 20 DBED N#Cc1cccc(CNC(=O)COC(=O)COCC(=O)O)c1 1601122483 LYDHEGGFHRWZBS-UHFFFAOYSA-N 306.274 -0.181 30 20 DBED C#C[C@@H](CO)NC[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 1602687571 CQOHSWPDBPLZLW-RYUDHWBXSA-N 303.322 -0.810 30 20 DBED C#CC[C@@H](NS(=O)(=O)C[C@]1(OC(C)C)CCOC1)C(=O)O 1602698747 UAXOVRGYWOSCSI-YPMHNXCESA-N 319.379 -0.034 30 20 DBED C#CCC[C@@H](O)CNS(=O)(=O)c1ccc(-c2nn[nH]n2)nc1 1602702024 BQWRHYUZWRRWQX-SECBINFHSA-N 322.350 -0.686 30 20 DBED C[C@@H]1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)[C@H](C(=O)O)C1 1604757318 MSLUENQANUNODY-VWYCJHECSA-N 317.367 -0.359 30 20 DBED N#CCN(CC(=O)O)S(=O)(=O)c1cnn([C@@H]2CCOC2)c1 1608184239 VBZMGEACZCZMMK-SECBINFHSA-N 314.323 -0.557 30 20 DBED C#CCCN1CCN(C(=O)c2ccc(-c3nn[nH]n3)n2C)CC1 1609020438 FHCMIVXGVDNYSH-UHFFFAOYSA-N 313.365 -0.014 30 20 DBED CCCc1nnc(SCC(=O)N(CC#N)CC(=O)O)n1N 1609985866 NTGZFGGDLQUIES-UHFFFAOYSA-N 312.355 -0.527 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N[C@H]1CCc2c(nnn2C)C1 1645920590 CIFVWKXGFPFYOY-ZJUUUORDSA-N 312.399 -0.259 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)Cc2cscn2)C1 1731434852 MFLQFVCMNLDROA-NSHDSACASA-N 306.391 -0.375 30 20 DBED CCN(CC#CCOC)CCCNC(=O)CN1C(=O)CCC1=O 1752231318 GBWXYTNZQNIYOF-UHFFFAOYSA-N 323.393 -0.387 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)NC[C@@H](C)NC[C@H](C)O 1752920263 AICMWYLAKXVVDZ-MNOVXSKESA-N 300.403 -0.275 30 20 DBED COCC#CCN(CCNC(=O)[C@@H]1CCNC(=O)C1)C1CC1 1753153951 MFGAVLPWOHKDPY-CYBMUJFWSA-N 307.394 -0.257 30 20 DBED C#CCN1CC[C@H](N(CC)C(=O)CCNS(C)(=O)=O)C1 1753457217 LZSNZZBBTSJWAV-LBPRGKRZSA-N 301.412 -0.518 30 20 DBED Cc1cccnc1C(=O)NC/C=C\CNCC(=O)NCC#N 1754106976 IPNDYLVDUJTIHN-IHWYPQMZSA-N 301.350 -0.095 30 20 DBED C#CCNC(=O)CNC[C@H](C)NC(=O)[C@@H]1CC12CCOCC2 1754297686 WQPNTWXXLDXJEH-STQMWFEESA-N 307.394 -0.353 30 20 DBED CC#CCNC1(CNC(=O)C2CC(=O)NC(=O)C2)CCOCC1 1754740956 UHIOHJOJUFHGBP-UHFFFAOYSA-N 321.377 -0.683 30 20 DBED C#CCCNC[C@H]1CN(C(=O)CN2CCCNC2=O)CCO1 1755005391 OIZJQDFFRDOQFC-ZDUSSCGKSA-N 308.382 -0.758 30 20 DBED CC#CCN1CC2(CC[C@@H](CNC(=O)[C@@H](C)NC(C)=O)O2)C1 1755052641 FTZCIHXENYOMTM-OCCSQVGLSA-N 307.394 -0.116 30 20 DBED Cc1nnsc1C(=O)N[C@@H](C)[C@@H](C)NCC(=O)NCC#N 1755227882 XDKKSDSTCZKURJ-SFYZADRCSA-N 310.383 -0.417 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@H](C)CNC(=O)c1cncnc1O 1755305245 LXMCTIJLOPYJOS-GHMZBOCLSA-N 319.365 -0.630 30 20 DBED C[C@H](NC(=O)C#CC1CC1)C1CN(CCNS(C)(=O)=O)C1 1755374277 PSBYZVZVCCJNIV-NSHDSACASA-N 313.423 -0.615 30 20 DBED C=CCN[C@H](C)[C@@H]1CN(C(=O)c2cc(=O)n(C)cn2)CCO1 1755442849 XIWOIMSHWJLMCS-YPMHNXCESA-N 306.366 -0.215 30 20 DBED CC#CCCCC(=O)NC[C@@H](CO)N[C@H](C)c1nnnn1C 1755636691 LYBLSVLPEDCUIP-NEPJUHHUSA-N 308.386 -0.469 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)CN(C)C(=O)c1cc(C)[nH]n1 1756435530 ZCFKPWXCBFTUGK-LLVKDONJSA-N 319.365 -0.566 30 20 DBED CC(C)C#CC(=O)N(C)C[C@@H](O)CNC(=O)[C@]1(F)CCOC1 1756661761 FAPCXUKWKIXIGW-WFASDCNBSA-N 314.357 -0.290 30 20 DBED C=C(C)CCC(=O)N(C)C[C@H](O)CNC(=O)[C@H]1CCC(=O)N1 1756665703 NWJXNTREDOBNGD-VXGBXAGGSA-N 311.382 -0.443 30 20 DBED C=C(C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C[C@H]1O 1757003507 PWRNKYCXSPOUKM-OKWIKPQFSA-N 308.378 -0.077 30 20 DBED C=CCCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCNC(=O)C2)C[C@@H]1O 1757160915 KDRCISSPAWIYIK-UTUOFQBUSA-N 309.366 -0.833 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCOC2)C[C@@H]1O 1757171295 NLDUUHVQSMFEEN-MCIONIFRSA-N 308.378 -0.240 30 20 DBED C=CCCC(=O)N(C)C[C@@H]1CCN1C(=O)Cn1ncn(C)c1=O 1757278835 PMVNADNSLPRNDR-LBPRGKRZSA-N 321.381 -0.393 30 20 DBED N#C[C@H]1CNC[C@H]1NC(=O)CNS(=O)(=O)c1ccccc1 1771754878 UMVXCQXIVNBEDT-CMPLNLGQSA-N 308.363 -0.807 30 20 DBED CC(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783561514 VNIMQBUUGCTAAC-MRXNPFEDSA-N 322.361 -0.050 30 20 DBED C=CCC(=O)N1CCO[C@]2(CCN(C(=O)C3CN(C)C3)C2)C1 1784787529 XNOIYIGRPXUIFT-MRXNPFEDSA-N 307.394 -0.046 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccn(C)n1)C2 1800451969 QSRRPDFAOQGFLP-DRXBFXEBSA-N 316.361 -0.815 30 20 DBED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(F)F)CCO2 1834911792 RIEFQYGCIXUXKB-ZDUSSCGKSA-N 317.292 -0.378 30 20 DBED CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)S)C2)C1 1835206668 RJZKIDAFRWJTFB-ZWNOBZJWSA-N 302.396 -0.219 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)[C@@H](C)CN)C2 1841599512 UHYHRJDTSOZADN-STQMWFEESA-N 307.394 -0.177 30 20 DBED N#CCC(=O)N1CCCC12CN(C(=O)c1ccc(O)nn1)C2 1842621468 AFLLPQQMLUACEW-UHFFFAOYSA-N 301.306 -0.087 30 20 DBED N#CCCC(=O)N1CCCC12CN(C(=O)[C@@H]1CNC(=O)C1)C2 1842814673 YSAWATOIJGECFV-NSHDSACASA-N 304.350 -0.370 30 20 DBED C[C@H](C#N)CN(C)C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C 45852289 CXFKQHFOCOXQAW-SECBINFHSA-N 315.333 -0.136 30 20 DBED CC#CCNC(=O)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 190531820 FCIDCFZCIAIMQR-UHFFFAOYSA-N 313.317 -0.351 30 20 DBED C/N=C(/NCC1(O)CCC1)N1CCN(c2cnn(C)c2)C(=O)C1 261825082 USNYOELCGKONIT-UHFFFAOYSA-N 320.397 -0.441 30 20 DBED COCCNC(=O)CNC(=O)CNC(=O)c1ccc(C#N)cc1 263782796 MABOHPKMRMTTIS-UHFFFAOYSA-N 318.333 -0.833 30 20 DBED C[C@H](O)CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 269385797 AIAJCROKPULLJL-UWVGGRQHSA-N 311.363 -0.278 30 20 DBED CC#CC[C@@H](NS(=O)(=O)c1c[nH]c(C(=O)OC)c1)C(=O)O 275024328 PEKMPXMLCGEPQF-SECBINFHSA-N 314.319 -0.054 30 20 DBED CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N1C[C@H](O)[C@H](O)C1 279395882 KQXLDMOSCNNFPE-PHIMTYICSA-N 320.349 -0.383 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)CN1C(=O)C(=O)N(C)C1=O 281330972 JJCGTXPQLMIPLX-KOLCDFICSA-N 309.322 -0.496 30 20 DBED C#C[C@H](NC(=O)C(=O)Nc1cnc(OC)c(C(N)=O)c1)C(C)C 281664949 YSOLXKSDGUAWEC-NSHDSACASA-N 318.333 -0.098 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC[C@H]2CCCO2)C1=O 283343011 SSHCWALQESMGSU-VXGBXAGGSA-N 309.366 -0.473 30 20 DBED CC[C@@H](C)N1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC1 295994875 MFISCHXLLGFFQU-LLVKDONJSA-N 305.382 -0.124 30 20 DBED C[C@H](/C(O)=N/C[C@@H]1CCCO1)N1CCN2C(=O)C(=O)NC[C@@H]2C1 330119545 IHRYHDJSIVBJQZ-UTUOFQBUSA-N 324.381 -0.847 30 20 DBED CCN(CC)C(=O)[C@@H]1CSCN1C(=O)Cn1cnc(C#N)n1 331123879 CJLLKKQGIBPVKZ-JTQLQIEISA-N 322.394 -0.080 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)[C@H]2CCS(=O)(=O)C2)C1=O 337069377 MAVKOYWEORLKBS-QWRGUYRKSA-N 300.380 -0.334 30 20 DBED COCCC(=O)N1CCN(C(=O)[C@@H](C)n2cnc(C#N)n2)CC1 337077004 CNQDOGNAWHIOHE-LLVKDONJSA-N 320.353 -0.582 30 20 DBED C=CC[C@H](CO)NC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccnn1C 346675245 VRCGFLXIGHDYLE-JTNHKYCSSA-N 306.366 -0.007 30 20 DBED N#CCCCS(=O)(=O)NCCCN1CCC[C@@H]1C(N)=O 348105396 SCJIBAPMBJCIJY-LLVKDONJSA-N 302.400 -0.451 30 20 DBED COC(=O)[C@H](CO)NC(=O)[C@H](C#N)Cc1ccc(C#N)cc1 350786431 ZNXHUNSDWYDNMJ-STQMWFEESA-N 301.302 -0.109 30 20 DBED COC[C@@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)C(=O)OC 351840367 FEZLNQCZSIDECM-GFCCVEGCSA-N 319.317 -0.408 30 20 DBED CCOC(=O)c1cnn(CC(=O)NCCCN(C)C)c1C#N 353409023 DWVOULUTRULWRY-UHFFFAOYSA-N 307.354 -0.001 30 20 DBED N#C[C@]1(NC(=O)CCNS(=O)(=O)c2cccnc2)CCOC1 358468526 BGDOUXRFPMGKJB-CYBMUJFWSA-N 324.362 -0.451 30 20 DBED COC(=O)CCCNC(=O)C(=O)Nc1nn(C(C)C)cc1C#N 359160591 SAHVQXIGFHGXIW-UHFFFAOYSA-N 321.337 0.344 30 20 DBED CN(C)S(=O)(=O)NCCNC(=O)C1(C#N)CCCCC1 408071809 LWWZOWYQNDXVEI-UHFFFAOYSA-N 302.400 -0.027 30 20 DBED COCCCS(=O)(=O)N1CCN(C(=O)[C@@H](C)C#N)CC1 433338184 UQFWZGULEJBROF-NSHDSACASA-N 303.384 -0.343 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@H](F)C(F)(F)F)CC1 491071975 OYJNHXVYMLQVLT-JTQLQIEISA-N 309.263 -0.220 30 20 DBED C#C[C@H](C)N(C)CC(=O)N(CCOC)[C@@H]1CCS(=O)(=O)C1 491497755 ZXLBKFVJAOVMEG-QWHCGFSZSA-N 316.423 -0.398 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)c2[nH]c(O)nc2C)CC1 491774091 SOYOENWGUYNVQR-UHFFFAOYSA-N 319.365 -0.679 30 20 DBED C[C@@H](C#N)CNC(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1 518421261 RISHVLVONSHFGB-KBPBESRZSA-N 322.409 -0.024 30 20 DBED N#CC1(CS(=O)(=O)NCC(=O)NCC(=O)O)CCCCC1 548524898 HLBYYFUSXMYQEB-UHFFFAOYSA-N 317.367 -0.419 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H](C(=O)O)[C@H]1CCOC1 565836705 FPXRSFIMBLVMJX-OUAUKWLOSA-N 319.383 -0.208 30 20 DBED N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@@H]2CC[C@H]2O)c1 567105488 RJNCRZKGZZCWGM-VXGBXAGGSA-N 309.347 -0.524 30 20 DBED CN1CC[C@@H](NCCS(=O)(=O)c2ccc(C#N)cn2)C1=O 579583447 UIAUQWWESLBTHM-LLVKDONJSA-N 308.363 -0.453 30 20 DBED N#Cc1ccccc1OC[C@@H](O)CN[C@@]1(C(N)=O)CCOC1 599454379 LZLPTVKFDRVGQK-WFASDCNBSA-N 305.334 -0.468 30 20 DBED CN(CCOCCN)C(=O)C(=O)N(C)Cc1cccc(C#N)c1 600798271 TZJQVYRBCFNEAC-UHFFFAOYSA-N 318.377 -0.050 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N1C[C@H](O)[C@@H](N(C)C)C1 601415192 BOGYAHURQVFFQC-WOPDTQHZSA-N 304.416 -0.681 30 20 DBED C=C[C@@](C)(O)C(=O)N1CCN(S(=O)(=O)NC(C)C)CC1 616206796 SDDRDIYYZHVIOF-GFCCVEGCSA-N 305.400 -0.690 30 20 DBED CC#CC[C@@H](CO)NC(=O)NC1CCN(CC(=O)N(C)C)CC1 645277392 UZILBUDTTTUGKG-AWEZNQCLSA-N 324.425 -0.388 30 20 DBED C=CCN1CC[C@H](N(C)[C@H]2CS(=O)(=O)C[C@H]2OC)C1=O 660463926 JSBDYIFEBQZRCQ-SDDRHHMPSA-N 302.396 -0.483 30 20 DBED C#CCOc1ccc(NC(=O)C(=O)N(C)CC(=O)NC)cc1 731126297 GPWWYOWNNOAVTP-UHFFFAOYSA-N 303.318 -0.159 30 20 DBED COC(=O)CN(CC(=O)O)S(=O)(=O)c1ccc(C#N)nc1 737620246 STRGQIMUOMOEQD-UHFFFAOYSA-N 313.291 -0.798 30 20 DBED Cn1c(=O)n(CC(=O)N(CC#N)CC(=O)O)c2ccccc21 739003535 KLWWUSMZOZMUOR-UHFFFAOYSA-N 302.290 -0.223 30 20 DBED N#Cc1cccc(S(=O)(=O)NC(=O)[C@@H]2CCNC(=O)C2)c1 761002325 MUUWJFCHBIMTBG-SNVBAGLBSA-N 307.331 -0.111 30 20 DBED Cn1cc(-n2cc(C(=O)n3ncc(C#N)c3N)ccc2=O)cn1 761064962 GWPSTHRZYYELEK-UHFFFAOYSA-N 309.289 -0.090 30 20 DBED CCOC(=O)CON=C(C(=O)NC[C@@H](C)C#N)c1cc[nH]n1 772248728 XYBCEZOPDQELPO-VIFPVBQESA-N 307.310 -0.031 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(C[C@H]2COC(C)(C)O2)c1=O 785029220 KSAOUAFWMKDJQL-NSHDSACASA-N 323.349 -0.305 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)Cc2ccc(F)cn2)CC1 806786529 ORFNHGVVTDIHTF-UHFFFAOYSA-N 318.352 -0.343 30 20 DBED S=C(NCCCN1CCOCC1)NN=C1COCCOC1 814728306 SAUMPXAOTIZFNO-UHFFFAOYSA-N 316.427 -0.424 30 20 DBED C#CC[C@H](NC(=O)[C@@H]1CCCCN1S(C)(=O)=O)C(=O)OC 837932566 ATIBAYOLGPYFKR-QWRGUYRKSA-N 316.379 -0.518 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N1CCOC[C@H]1CC(=O)O 844791148 GQZBBNPDNBFXOC-NXEZZACHSA-N 305.356 -0.502 30 20 DBED C=C(CNC(=S)NCCOC)CNC(=S)NCCOC 853048607 NKLIEIOHTKJWMD-UHFFFAOYSA-N 320.484 -0.236 30 20 DBED CCOC(=O)CON=C(C(=O)NC/C=C/CO)c1cc[nH]n1 855399168 KNDORXJZQJHRLP-OPFADMCSSA-N 310.310 -0.642 30 20 DBED C[C@@H](OC(=O)CN1CC(=O)N(C)C1=O)C(=O)N(C)CCC#N 860302501 QJLJZXJOALZOFD-SECBINFHSA-N 310.310 -0.816 30 20 DBED N#CCCN1CCN(C(=O)C(=O)N2C[C@H]3CC[C@H]2[C@@H](O)C3)CC1 910825919 KWCZUZDUDBTTQF-IHRRRGAJSA-N 320.393 -0.584 30 20 DBED C=CCNC(=O)NC(=O)CN[C@@H]1COCCC1(OC)OC 931665763 KUFJKLZHDYXWAN-SNVBAGLBSA-N 301.343 -0.634 30 20 DBED C#CCN1C[C@H]2CCN(C(=O)c3nnc(O)nc3O)CC[C@H]2C1 946662589 CDKVCAQBMKQTQQ-PHIMTYICSA-N 317.349 -0.300 30 20 DBED C#CCCN1CC[C@H](NC(=O)CN2CC(=O)N(C)C2=O)C[C@@H]1C 947924356 BPQWPJDJROFZKF-STQMWFEESA-N 320.393 -0.127 30 20 DBED N#Cc1cc(C(=O)NC[C@@H]2CCN2C(=O)[C@H]2CCC(=O)N2)c[nH]1 949485596 JGOOMCQVOZOFCF-NWDGAFQWSA-N 315.333 -0.504 30 20 DBED C=CCCn1cc(C(=O)N2CCN([C@@H]3CCNC3=O)CC2)nn1 951607885 YWCIXHSTIPGYAD-CYBMUJFWSA-N 318.381 -0.500 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](CNC(=O)c2cncnc2O)C1 958166766 AMKSVKQOWSVXLT-MWLCHTKSSA-N 312.757 -0.043 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2ccc(N(C)C)nc2)C1 958203907 VSYYZNJQPQEEDT-UONOGXRCSA-N 302.378 -0.197 30 20 DBED Cc1nc(CC(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2C)n[nH]1 958369141 ZCGNOEWEXMBCKP-FXPVBKGRSA-N 304.354 -0.222 30 20 DBED N#Cc1c[nH]c(C(=O)NC2[C@H]3CN(CC(=O)NC4CC4)C[C@H]23)c1 958501306 ZEYTWYXSOQWIPV-RYUDHWBXSA-N 313.361 -0.175 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2ccc3nnn(C)c3c2)C1 958624466 BGZBCKDUGHUDHT-DOMZBBRYSA-N 313.361 -0.376 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCN2C)C1 958911423 LFLQQDBJMJVCBR-RNJOBUHISA-N 308.382 -0.730 30 20 DBED N#CCN1C[C@@H]2C(NC(=O)c3cccc(OCC(N)=O)c3)[C@H]2C1 960187580 XTYBHMLCTGYYLO-STQMWFEESA-N 314.345 -0.266 30 20 DBED C#CCN1C[C@H]2[C@H](NC(=O)C3CC4(C3)CS(=O)(=O)C4)[C@H]2C1 960555374 RLJAUORUIZWTQN-ITGUQSILSA-N 308.403 -0.509 30 20 DBED N#Cc1cc(C(=O)N2C[C@H](O)[C@H](NC(=O)C3CCC3)C2)c[nH]1 961099697 ILSCHLRCVYDHIK-OLZOCXBDSA-N 302.334 -0.012 30 20 DBED C[C@H](C(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O)n1cccn1 961675497 ASTJSVLYDMSLBD-BNOWGMLFSA-N 316.361 -0.455 30 20 DBED Cc1nscc1C(=O)N[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1O 962384815 DTSLHQHZIVJSCD-ONOSFVFSSA-N 308.363 -0.087 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CCCN(C(=O)Cn3cnnn3)[C@@H]2C1 963660213 BACIYOUBCAKMGY-SDDRHHMPSA-N 317.353 -0.718 30 20 DBED C=CCN1CC[C@H](N2CC([C@H](C)NC(=O)c3nc[nH]n3)C2)C1=O 970613572 RFEVAIVRLILKOD-JQWIXIFHSA-N 318.381 -0.358 30 20 DBED Cn1cc(CC(=O)N2CC[C@@]3(CN(CC#N)CCO3)C2)cn1 972291827 YMTPXEZFZGNGOZ-OAHLLOKOSA-N 303.366 -0.211 30 20 DBED CCN1CCOC[C@H]1C(=O)N1CC[C@@]2(CN(CC#N)CCO2)C1 972441337 RGDBTXGRIVVIFN-GOEBONIOSA-N 322.409 -0.466 30 20 DBED COc1cnc(C(=O)N2CC[C@@]3(CN(CC#N)CCO3)C2)nc1 972460305 DJPXICNPDQFZSW-OAHLLOKOSA-N 317.349 -0.074 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)[C@H]3CCC(=O)N3C)C2)C1 972515268 VTXVPVGKWNTTFR-CJNGLKHVSA-N 305.378 -0.456 30 20 DBED C#CCCN1CCC[C@@H](NC(=O)CN2CC(=O)NC2=O)[C@H]1C 994015964 BUQGLGWFPVXRBQ-VXGBXAGGSA-N 306.366 -0.469 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)c3cn(CC)nn3)C2)nc1 997088824 WSTPBDHJFYNLGH-UHFFFAOYSA-N 324.344 -0.071 30 20 DBED NC(=O)[C@@H]1CC[C@@H]1C(=O)N1CCN(C(=O)C#CC2CC2)CC1 1011107252 CGFCXGATYKAUNG-OLZOCXBDSA-N 303.362 -0.418 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C(=O)[C@H]2C[C@@H](C)CC(=O)N2)CC1 1011203461 UBZJEVUVCTWSIG-GRYCIOLGSA-N 306.366 -0.268 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(C1)CN(C(=O)[C@H]1COCCN1C)C2 1018954995 RNDZIRITJQEUSP-QWHCGFSZSA-N 320.393 -0.462 30 20 DBED C#CCN[C@@H]1CC[C@@H]2CN(C(=O)Cn3c(O)nnc3O)C[C@H]21 1026407292 MUXPQOJNQTZXST-GMTAPVOTSA-N 305.338 -0.851 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCN(CC(=O)NC)C1 1028601671 SQDAJRJSMCOIQW-KBPBESRZSA-N 306.410 -0.732 30 20 DBED CC#CCN1CCO[C@@H](CNC(=O)[C@@H]2CN(CC)CCO2)C1 1035606749 HFYZNEYFATZBQJ-GJZGRUSLSA-N 309.410 -0.453 30 20 DBED CC#CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1ccc(-n2cnnn2)cn1 1037523662 PUPQAABREROWCX-BYCMXARLSA-N 323.360 -0.117 30 20 DBED C#CCC1(C(=O)NC[C@]2(O)CCN(C(=O)CC(N)=O)C2)CCC1 1040060453 UFCJERXHRHBAMK-MRXNPFEDSA-N 321.377 -0.865 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)CCn2ccnc2)C1 1040397362 STJCAYAMWJWLJW-DOMZBBRYSA-N 319.365 -0.488 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)c2cn(C)nc2C)C1 1041952317 PMSJGTONCXNYED-UHFFFAOYSA-N 306.366 -0.002 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)C[C@](C)(O)C2CC2)C1 1042627794 QJTDDLMAPKJZQR-INIZCTEOSA-N 322.405 -0.114 30 20 DBED CN(C(=O)[C@@H]1COCCN1CC(F)F)C1CN(CC#N)C1 1043474745 UHXZTUTZLIHTFT-NSHDSACASA-N 302.325 -0.382 30 20 DBED C=CCCCC(=O)N1CC(O)(CNC(=O)c2cncnc2O)C1 1043581904 AOCRFVIOJISCKF-UHFFFAOYSA-N 320.349 -0.158 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2C)C1 1043651854 NAQVZKLLAACWCQ-MCIONIFRSA-N 319.405 -0.571 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)[C@H]2CCCCN2C)C1 1043770363 KJHXZKNQSUZYRZ-CQSZACIVSA-N 321.421 -0.180 30 20 DBED N#Cc1cnccc1N1C[C@H](O)[C@H](NC(=O)Cc2cc[nH]n2)C1 1043894297 WFSYUKMPDFCWOS-OCCSQVGLSA-N 312.333 -0.415 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)CCc2ccn(C)n2)C1 1045551833 MYJPFWZSUWIREP-LLVKDONJSA-N 319.365 -0.798 30 20 DBED C=CCn1cc(C(=O)NC2(C)CCN(CC(N)=O)CC2)nn1 1045580898 VXSYLKLEJYTCPM-UHFFFAOYSA-N 306.370 -0.466 30 20 DBED N#CCN1CC[C@@H](N2CCN(C(=O)Cn3nccn3)CC2)C1 1046034131 QAYCMHBWLHMKPZ-CYBMUJFWSA-N 303.370 -0.980 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3nncn3c2)C1 1047564701 YDFGPFHRBYKVJS-KBPBESRZSA-N 313.361 -0.130 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCN2C(C)=O)C1 1047603265 FPUDBOUWVQXTSS-KKUMJFAQSA-N 307.394 -0.476 30 20 DBED C[C@H](NCc1nnnn1C)[C@@H]1CCN(C(=O)C#CC2CC2)C1 1047842707 BDUQDTXMBXMVGM-WCQYABFASA-N 302.382 -0.050 30 20 DBED C#CCOCCC(=O)N(C)[C@H]1CN(C(=O)[C@H](F)CC)C[C@@H]1O 1048847237 DXORTHIGBAGBCK-AGIUHOORSA-N 314.357 -0.196 30 20 DBED COc1cc(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)C#N)C2)on1 1049388504 LZYSHERSVKOHOJ-UTLUCORTSA-N 322.321 -0.513 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)c1ccc2nc(O)[nH]c2n1 1051089430 LOPGIXWUWFISAV-SNVBAGLBSA-N 315.333 -0.273 30 20 DBED C#CCCN1CCOC[C@@H]1CNC(=O)c1cccn(C)c1=O 1051217929 XOVHYTKFTAQAMF-ZDUSSCGKSA-N 303.362 -0.161 30 20 DBED CC#CCN1CCOC[C@H]1CNC(=O)[C@H]1CCN(C(C)=O)C1 1051225127 FCMVSYRZCDNGMZ-LSDHHAIUSA-N 307.394 -0.305 30 20 DBED C[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1CNC(=O)Cn1nccn1 1052553529 JGHOTHAYMBSXBB-GXTWGEPZSA-N 315.377 -0.098 30 20 DBED C=CCN1CC2(CC[C@H](CNC(=O)c3nnc(O)nc3O)O2)C1 1053626759 DFVZTPBCDDBKOA-SECBINFHSA-N 321.337 -0.568 30 20 DBED C=C(C)CCN1CC2(CC[C@H](CNC(=O)[C@H]3CNC(=O)N3)O2)C1 1053655601 NPQBQEDDFRHWMI-CHWSQXEVSA-N 322.409 -0.016 30 20 DBED COc1ncc(C(=O)NC[C@H]2CCC3(CN(CC#N)C3)O2)cn1 1053683522 SIEUILSPFVMKJQ-GFCCVEGCSA-N 317.349 -0.028 30 20 DBED C=C(C)CCC(=O)NCCN1CCC(NC(=O)CC(N)=O)CC1 1055584872 TWYHPJYRVUDOKQ-UHFFFAOYSA-N 324.425 -0.085 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@](CO)(NC(=O)c2cn(C)cn2)C1 1055882408 FQCLGPHPWMZVFL-ABAIWWIYSA-N 319.365 -0.337 30 20 DBED C=CCCOCC(=O)N[C@]1(CO)CCCN(C(=O)COC)C1 1055985954 DDUIGSLRQMPSMY-OAHLLOKOSA-N 314.382 -0.305 30 20 DBED Cn1cc(CC(=O)NC2[C@H]3CN(c4ccc(C#N)nn4)C[C@H]23)cn1 1056147204 MDTPMZSHPJIDRN-STQMWFEESA-N 323.360 -0.125 30 20 DBED CC(C)C#CC(=O)N1CCC[C@H]2[C@@H]1CCN2C(=O)CNC(N)=O 1056390232 RNFPTWAZHDYWDK-STQMWFEESA-N 320.393 -0.094 30 20 DBED N#Cc1ccc(N[C@@H]2CCN(C(=O)[C@@H]3CCNC(=O)C3)C2)nn1 1056599628 LUGQWNTYLBNKRD-ZYHUDNBSSA-N 314.349 -0.113 30 20 DBED C=CCOCCCC(=O)N1C[C@@H]2CCCN(C(=O)C(N)=O)[C@@H]2C1 1056710968 CSPXRLOMQUDTTI-QWHCGFSZSA-N 323.393 -0.096 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)CNC(=O)CC 1057439298 HCMHLWDOFWYDFD-UHFFFAOYSA-N 311.382 -0.747 30 20 DBED C#CCO[C@H](C)C(=O)N(CCO)CCNC(=O)[C@@H](F)C(C)C 1057588060 RNCPKTKCEWMRHH-OLZOCXBDSA-N 316.373 -0.044 30 20 DBED CN1C(=O)CC[C@@H]1C(=O)N[C@@H]1CCN(c2ccnc(C#N)n2)C1 1058523140 HQXZSWZLQQSQGB-GHMZBOCLSA-N 314.349 -0.336 30 20 DBED C=CCCCC(=O)N(CCO)CCNC(=O)Cn1nccn1 1058625163 YPEDGBOYWVXWGJ-UHFFFAOYSA-N 309.370 -0.429 30 20 DBED Cc1nc[nH]c1CC(=O)NCCN(CCO)C(=O)[C@@H](C)C#N 1058655187 SOCGZZQTUZKCNN-JTQLQIEISA-N 307.354 -0.643 30 20 DBED C=CCOCC(=O)NC[C@@H]1COCCN1C(=O)CCCOC 1061420647 BJDDOQKOTYUOFO-CYBMUJFWSA-N 314.382 -0.041 30 20 DBED CC(C)C#CC(=O)N1CCOC[C@@H]1CNC(=O)c1nc[nH]n1 1061766193 BUBXFPFXNICLHM-NSHDSACASA-N 305.338 -0.579 30 20 DBED C=C(C)C[C@@H](C)C(=O)NC[C@H]1COCCN1C(=O)CC(N)=O 1061794632 NJPKLRWEUTUZBZ-NEPJUHHUSA-N 311.382 -0.192 30 20 DBED Cc1c(C(=O)N2CCOC[C@H]2CNC(=O)[C@H](C)C#N)nnn1C 1061847534 TTZVPCOGWFJJNZ-MWLCHTKSSA-N 320.353 -0.760 30 20 DBED Cc1ccn(CC(=O)N2CCOC[C@@H]2CNC(=O)[C@H](C)C#N)n1 1061853842 VGRPGQPPZCYSDR-YPMHNXCESA-N 319.365 -0.305 30 20 DBED N#Cc1ccc(N2[C@H]3CC[C@H]2CN(C(=O)c2nc[nH]n2)C3)nn1 1061980782 AYKHWJPUTBNLHV-QWRGUYRKSA-N 310.321 -0.040 30 20 DBED C=CCOCC(=O)NC[C@H]1CCCCN1C(=O)Cn1nccn1 1062236917 VGOKJBGVOBEOAJ-CYBMUJFWSA-N 321.381 -0.022 30 20 DBED CC(C)(C)C#CC(=O)NC1(CNC(=O)Cn2cnnn2)CCC1 1062499728 UVOGDXYANARQHB-UHFFFAOYSA-N 318.381 -0.122 30 20 DBED C=CCOCC(=O)NCC1(NC(=O)CN2CCCC2=O)CCC1 1062702154 INOZRTJXLAFBOJ-UHFFFAOYSA-N 323.393 -0.034 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(NC(=O)c2[nH]nnc2C)CCC1 1063046165 IPVMCHFOROCOAD-NSHDSACASA-N 319.365 -0.080 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)[C@H]2CCN(C)C2=O)CCC1 1064086786 ROPMULNDZOMPMD-GHMZBOCLSA-N 306.366 -0.221 30 20 DBED N#Cc1cnc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)c2cncnc2O)cn1 1064310498 WQUTVRWRLJPZEZ-WLTAIBSBSA-N 323.316 -0.149 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)CCNC(N)=O)CCO1 1065141576 GFPQKPRMQQXAJN-GFCCVEGCSA-N 324.381 -0.808 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(C(=O)CN2CCCC2)CCO1 1065172061 REXLPBPSGCPHBS-OAHLLOKOSA-N 319.405 -0.161 30 20 DBED C[C@@]1(NC(=O)[C@@H]2CCC(=O)N2)CCN(c2ccc(C#N)nn2)C1 1065268865 IOYCKHNIKAFDFK-XHDPSFHLSA-N 314.349 -0.288 30 20 DBED C[C@@]1(NC(=O)[C@@H]2CCNC2=O)CCN(c2ccc(C#N)nn2)C1 1065312580 SJWFDWXKYIRGJC-IAQYHMDHSA-N 314.349 -0.431 30 20 DBED N#CCSCC(=O)NC[C@@H]1CN(C(=O)c2cnco2)CCO1 1065385122 LYNWHRSXJLIJRF-SNVBAGLBSA-N 324.362 -0.111 30 20 DBED CN(CCCN(C)C(=O)Cn1cncn1)C(=O)CSCC#N 1066873700 WRMLYWPMBATMKP-UHFFFAOYSA-N 324.410 -0.158 30 20 DBED N#CCN1C[C@H]2C[C@@H]3CN(C(=O)c4csnn4)C[C@@]3(C1)O2 1070830079 PATFVMPVZDVAIB-GIPNMCIBSA-N 305.363 -0.023 30 20 DBED C=CCOCC(=O)N1C[C@@H](NC(=O)CS(C)(=O)=O)[C@H](C)C1 1071808815 LTSCCVBVRCHXES-GHMZBOCLSA-N 318.395 -0.803 30 20 DBED CCNC(=O)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)C#CC2CC2)C1 1071939082 KPVQTOZVKATDAK-YPMHNXCESA-N 305.378 -0.111 30 20 DBED C[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)C1(C(N)=O)CC1 1072039295 PTNVPASAMVZHHG-CMPLNLGQSA-N 303.362 -0.372 30 20 DBED C#CCOCCC(=O)N1C[C@@H](NC(=O)C2=COCCO2)[C@H](C)C1 1072097203 KKYYCCHDQKGRTC-CHWSQXEVSA-N 322.361 -0.122 30 20 DBED C[C@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1NC(=O)C#CC1CC1 1072542817 BPLUKDBHKQGGCG-GXSJLCMTSA-N 302.338 -0.800 30 20 DBED C=CCN1CCC2(C1)CN(C(=O)CCc1nnc(O)nc1O)C2 1072894599 YZJYOFCNNYDOQC-UHFFFAOYSA-N 319.365 -0.064 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(O)(CNC(=O)c2cnn(C)c2)CC1 1074703783 RQXWMZAUIKOXMD-NSHDSACASA-N 319.365 -0.337 30 20 DBED C[C@@H](CCNC(=O)[C@H]1COCCO1)NC(=O)c1ccc(C#N)[nH]1 1075697108 DBQIBBHANBWZRM-GXFFZTMASA-N 320.349 -0.074 30 20 DBED Cc1noc(CN2C[C@@H](O)[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)n1 1076855012 ZIAWZDKXRWCMGF-VXGBXAGGSA-N 316.321 -0.447 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2n[nH]cc2C(F)(F)F)C1 1077115610 QLZRFRMWSVFYRS-HTQZYQBOSA-N 303.244 -0.273 30 20 DBED C[C@@H](CCNC(=O)CN1CCCNC1=O)NC(=O)C#CC1CC1 1077306122 KQEOOSBAXZMIOL-LBPRGKRZSA-N 320.393 -0.174 30 20 DBED C=CCCn1cc(C(=O)N[C@@H]2CN(CC#CC)C[C@H]2O)nn1 1077813776 BLRNRTONDWBIQE-TZMCWYRMSA-N 303.366 -0.348 30 20 DBED C[C@@H](CCNC(=O)c1nnn(C)n1)NC(=O)C#CC(C)(C)C 1077877382 LNDQYWIPGKJQCU-JTQLQIEISA-N 306.370 -0.116 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(N(CC)C(=O)[C@@H]2CCC(=O)N2)C1 1080179372 IYEVTMOKJLFRLE-YPMHNXCESA-N 321.377 -0.637 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(Cc2nnnn2C)C[C@H]1C 1080471182 UCUCZYHGTVXKNJ-LPWJVIDDSA-N 320.397 -0.262 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CO)(NC(=O)c2cnn[nH]2)CC1 1080909561 XXVUYAFUJVNSBA-SECBINFHSA-N 306.326 -0.952 30 20 DBED Cc1ncc(C(=O)N2CCC(CO)(NC(=O)[C@@H](C)C#N)CC2)[nH]1 1080979961 FUODXMQYMUPVES-JTQLQIEISA-N 319.365 -0.039 30 20 DBED C=CCOCCCC(=O)N1C[C@H](CNC(=O)COC)[C@@H](O)C1 1081177203 BFLNFSXAYUEICW-STQMWFEESA-N 314.382 -0.449 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)CSC)C[C@H]1O 1081343700 GCTGIAVCPSPAKP-GHMZBOCLSA-N 302.396 -0.513 30 20 DBED C=CCCCC(=O)N1C[C@H](O)[C@H](CNC(=O)C2(C(N)=O)CC2)C1 1081717054 SVTZBRCFTMWTIG-NEPJUHHUSA-N 323.393 -0.456 30 20 DBED C#CCCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)Cn2cncn2)C1 1081788868 QLXINXARPIYPMU-QWHCGFSZSA-N 319.365 -0.983 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN([C@@H](C)C(N)=O)C[C@H]2OC)cc1 1082013092 YYUBOKOTIOPBKM-NILFDRSVSA-N 315.373 -0.029 30 20 DBED C#CCOCCC(=O)N1CCCC[C@H]1CNC(=O)c1cnn[nH]1 1082074473 CTKWXFJVBIZCPE-LBPRGKRZSA-N 319.365 -0.045 30 20 DBED CC#CCN1C[C@@H](NC(=O)[C@@H]2CCc3nn[nH]c3C2)[C@H](OC)C1 1082324132 CXLQUJYEIUFVAJ-KCPJHIHWSA-N 317.393 -0.252 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CCc2nn[nH]c2C1 1083247535 UYAXETYKXMPTFE-BYCMXARLSA-N 315.377 -0.546 30 20 DBED Cc1cc(C(F)F)n(CC(=O)N[C@@H]2CN(CC#N)C[C@@H]2O)n1 1083490169 RMMBRCUMDZBPOG-KOLCDFICSA-N 313.308 -0.186 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCc3nc[nH]c3C2)C1 1083929180 RPBOFTZUHFBDAZ-GLQYFDAESA-N 302.378 -0.301 30 20 DBED Cn1cc(C(N)=O)cc1C(=O)N1C[C@H]2CCN(CC#N)C[C@H]21 1084489613 UDRIEGBKRJWCMD-ZWNOBZJWSA-N 301.350 -0.206 30 20 DBED Cn1cc([C@@H]2CN(C(=O)[C@@]34COC[C@@H]3C4)C[C@H]2NCC#N)cn1 1086980099 JQKCXBNUUOIQPS-AYDFFVQHSA-N 315.377 -0.136 30 20 DBED C#CCN1C[C@H]2CC[C@H]1[C@H]1CN(C(=O)CS(C)(=O)=O)C[C@@H]21 1087338329 GXMOSFPEQXWHEH-RFGFWPKPSA-N 310.419 -0.167 30 20 DBED N#CCN1CC[C@H](NC(=O)c2cnc3[nH]cnc3c2)[C@@H](O)C1 1090300153 JLPYHXVHKZHHSH-JQWIXIFHSA-N 300.322 -0.354 30 20 DBED N#CCN1CC[C@H](NC(=O)c2cn3c(n2)COCC3)[C@H](O)C1 1090362382 WTWNJZUDSPHDRG-CMPLNLGQSA-N 305.338 -0.898 30 20 DBED Cc1cnc2c(C(=O)N[C@H]3CCN(CC#N)C[C@@H]3O)cnn2c1 1090612454 NELSBWVYBCDPGI-STQMWFEESA-N 314.349 -0.274 30 20 DBED C=CCN1CC[C@@H](NC(=O)c2cnn3c(=O)cc[nH]c23)[C@@H](O)C1 1090630141 LLQLGXIZPKVLQY-NEPJUHHUSA-N 317.349 -0.626 30 20 DBED CC[C@@H](OC)C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1091087343 KYTVAFIZFOYHCX-OUAUKWLOSA-N 305.338 -0.561 30 20 DBED CN1CC[C@H](C(=O)NCC2CC(NCC#N)C2)S1(=O)=O 1091278030 GXBJDLSGYKBUAP-VQXHTEKXSA-N 300.384 -0.972 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(c2ncc(F)cn2)C[C@@H]1O 1092154114 ROIBEBSARKXZNO-RYUDHWBXSA-N 310.329 -0.126 30 20 DBED C#CCN1C[C@@H](C)[C@H](CNC(=O)[C@H]2CCN(C)S2(=O)=O)C1 1093044187 COOMWSBIKJCWOE-JHJVBQTASA-N 313.423 -0.662 30 20 DBED CC(=O)NCC(=O)NC1[C@@H]2CN(c3cc(C)ncc3C#N)C[C@@H]12 1093215909 RVFBQTDLJBBQNV-CHWSQXEVSA-N 313.361 -0.051 30 20 DBED C#CCCN1CC(OC2CCN(C(=O)[C@@H]3CNC(=O)N3)CC2)C1 1093566576 YBVABSLNIJOJAZ-AWEZNQCLSA-N 320.393 -0.617 30 20 DBED C[C@H]1CC(=O)N[C@@H](C(=O)NCCNc2ccc(C#N)nn2)C1 1094178452 GAIKVQOWGRKEDC-MWLCHTKSSA-N 302.338 -0.209 30 20 DBED N#Cc1nccnc1NCCNC(=O)C[C@H]1CCCC(=O)N1 1094258485 OQQQNJCADUZUHD-SNVBAGLBSA-N 302.338 -0.065 30 20 DBED C#CCN1CC(n2cc(CNC(=O)[C@@H]3CCCOC3)nn2)C1 1094278171 AWSGQYNCQHBJNF-GFCCVEGCSA-N 303.366 -0.189 30 20 DBED N#Cc1ccc(NCCCNC(=O)CN2CC(=O)NC2=O)cn1 1094539279 OLGMMHCJHRRFAG-UHFFFAOYSA-N 316.321 -0.577 30 20 DBED C[C@H](C(=O)N1CCN(CC#N)[C@H]2CS(=O)(=O)C[C@H]21)C1CC1 1094619562 MAIHARJFEWCUKR-WCFLWFBJSA-N 311.407 -0.134 30 20 DBED CCC(=O)NCC(=O)N1CCC(N=c2cc[nH]c(C#N)n2)CC1 1095221639 MAYASUXRURMMOU-UHFFFAOYSA-N 316.365 -0.301 30 20 DBED CN(CCCNC(=O)CCNC(N)=O)c1ccc(C#N)nc1 1095556614 BYKLCOIXFLRSJE-UHFFFAOYSA-N 304.354 -0.046 30 20 DBED CCN(CCCNC(=O)C1(C(N)=O)CC1)c1cnc(C#N)cn1 1095954675 CXQGMMPBQOUBRM-UHFFFAOYSA-N 316.365 -0.054 30 20 DBED C[C@@H](CNC(=O)C[C@@H]1CCNC1=O)N=c1cc[nH]c(C#N)n1 1098097629 JMCZLUWVIKRTLT-UWVGGRQHSA-N 302.338 -0.787 30 20 DBED CC#CCN(CCO)C1CCN(C(=O)Cc2nc[nH]n2)CC1 1098528864 PYLGZXLYUMIJFD-UHFFFAOYSA-N 305.382 -0.344 30 20 DBED C#CCNCc1cn([C@@H]2CCN(C(=O)CNC(=O)OC)C2)nn1 1098625962 KBCOYMVIIFMDLL-GFCCVEGCSA-N 320.353 -0.870 30 20 DBED C=CCCCC(=O)N1CC[C@H](n2cc(CNCC(N)=O)nn2)C1 1098710271 BQGYEYVGWWFWOP-ZDUSSCGKSA-N 320.397 -0.017 30 20 DBED Cc1cc(=N[C@@H](C)CCNC(=O)Cn2cnnn2)c(C#N)c[nH]1 1098818099 WQUKLPOOVZTBFU-JTQLQIEISA-N 314.353 -0.323 30 20 DBED C#CCCN1C[C@@H]2CCC[C@]2(NC(=O)CN2CC(=O)NC2=O)C1 1099080914 JRHKEVPJVCJCLX-LRDDRELGSA-N 318.377 -0.468 30 20 DBED C[C@@H](CCNC(=O)C[C@H](C)NC(N)=O)N=c1cc[nH]c(C#N)n1 1099545449 GAGHCURLDPRMFL-UWVGGRQHSA-N 319.369 -0.476 30 20 DBED C#CCN1C[C@@H](NC(=O)C2(C(N)=O)CC2)CC2(CCOCC2)C1 1099590702 HYXTYOQZKTYGTB-ZDUSSCGKSA-N 319.405 -0.128 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(CCn2cncn2)C[C@@H]1O 1099737925 GGYXPZCSIZRDHB-STQMWFEESA-N 309.370 -0.968 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)CC(=O)NCC)[C@H](O)C1 1099796852 KAMMFJNFAYPEHV-CHWSQXEVSA-N 313.398 -0.733 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCN(Cc2ccon2)C[C@@H]1O 1099832889 OFMRQYIPMRZODK-KGLIPLIRSA-N 307.350 -0.234 30 20 DBED C#CCNC(=O)CC(=O)NCCN(C)c1ccnc(C#N)n1 1100037772 RQUQYOQTXDJROD-UHFFFAOYSA-N 300.322 -0.960 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)Cn2ccnc2C)[C@H](O)C1 1100110406 VIMAOGQLAIGPHK-HUUCEWRRSA-N 322.409 -0.054 30 20 DBED CNC(=O)CC(=O)NC[C@@H]1CCN(c2ccc(C#N)nn2)C1 1100977747 WNRVIFWRCKNHRW-JTQLQIEISA-N 302.338 -0.573 30 20 DBED C=CCNC(=O)CN1C[C@@H]2CN(C(=O)CNC(C)=O)C[C@]2(C)C1 1101110039 WZKKPPCGJHAVBJ-CJNGLKHVSA-N 322.409 -0.795 30 20 DBED CCCN(CCNC(=O)c1nnn(C)n1)c1ccc(C#N)nn1 1101216180 ZBYZFFCJZSDZJX-UHFFFAOYSA-N 315.341 -0.482 30 20 DBED C#CCNC(=O)CC(=O)N(C)CCNc1cncc(C#N)n1 1101552000 PZTQUEYGMNACHF-UHFFFAOYSA-N 300.322 -0.642 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H]1CN(CC(=O)NC2CC2)C[C@H]1C 1101964147 DUUHAULWBRTXFU-HZSPNIEDSA-N 321.421 -0.013 30 20 DBED Cc1cc(C#N)nc(NC[C@H](C)CNC(=O)c2nnn(C)n2)n1 1104181557 FANRGSTZCIJWPL-MRVPVSSYSA-N 315.341 -0.342 30 20 DBED C#CCNC(=O)CNCC[C@@H]1CN(C(=O)CCN(C)C)C[C@H]1C 1104621825 MEPLCOJKBYUFRU-HUUCEWRRSA-N 322.453 -0.238 30 20 DBED C=C(C)CCNCc1cn(C2CN(C(=O)CNC(C)=O)C2)nn1 1105141986 FEEHKZJSTNZKRQ-UHFFFAOYSA-N 320.397 -0.147 30 20 DBED CCc1nc(C#N)cc(N(C)CCN(C)C(=O)CNC(C)=O)n1 1105317494 BFDZCGMEEMOCDE-UHFFFAOYSA-N 318.381 -0.059 30 20 DBED CN1CC[C@@H](CC(=O)N2CC(n3cc(CNCC#N)nn3)C2)C1 1105361417 ZQTTXKPDZFUCCH-LBPRGKRZSA-N 317.397 -0.384 30 20 DBED N#Cc1cnc(NC[C@H]2CCC[C@H]2NC(=O)CNC(N)=O)cn1 1105654196 GTHOOVISNKYLPH-MWLCHTKSSA-N 317.353 -0.287 30 20 DBED N#Cc1nc(=NC[C@@H](O)CNC(=O)c2cscn2)cc[nH]1 1105747237 YQNRMUOGCAYERL-MRVPVSSYSA-N 304.335 -0.571 30 20 DBED CC(C)[C@H](C(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1)N(C)C 1105917427 IDKBFZJLDXJKFO-BXUZGUMPSA-N 320.397 -0.755 30 20 DBED Cc1ccc(C#N)c(NC[C@H](O)CNC(=O)C(C)(C)C(N)=O)n1 1105997383 QGTJGPWALLMZSX-NSHDSACASA-N 319.365 -0.338 30 20 DBED Cc1nn[nH]c1C(=O)NC[C@@H](O)CNc1ncccc1C#N 1106035252 GRLIMGSBZGOXMV-JTQLQIEISA-N 301.310 -0.417 30 20 DBED C#CCOCCC(=O)N1C[C@@H](C)[C@H](CNCC(=O)NCC)C1 1106115390 UILQMMXFTUWDQI-ZIAGYGMSSA-N 309.410 -0.154 30 20 DBED N#Cc1cnc(NC[C@@H](O)CNC(=O)c2cnn[nH]2)c(F)c1 1106171998 OTSWPUFAVQOSAJ-MRVPVSSYSA-N 305.273 -0.587 30 20 DBED C[C@@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)Cn1cnnc1O 1106287266 HZURLFRPECWCTJ-VIFPVBQESA-N 316.325 -0.926 30 20 DBED C[C@@H]1CN(C(=O)[C@H]2CCc3nnc(O)n3C2)C[C@H]1CNCC#N 1106335635 ZXBPXLPQEJORKT-GRYCIOLGSA-N 318.381 -0.246 30 20 DBED C#CCN1CC(n2cc(CNC(=O)[C@]3(F)CCOC3)nn2)C1 1107198344 CQXFMEDIBVLTQC-AWEZNQCLSA-N 307.329 -0.487 30 20 DBED C[C@@H](CN=c1cc[nH]cc1C#N)NC(=O)CN1C(=O)CCC1=O 1108377422 QYHNRNOGLLOSGC-JTQLQIEISA-N 315.333 -0.559 30 20 DBED C[C@]1(CNC(=O)[C@@H]2CCc3nncn3C2)CN(CC#N)CCO1 1108415881 OWWNWNHJWZLUFU-DOMZBBRYSA-N 318.381 -0.429 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)[C@@H](OC)C3CC3)CC2=O)C1 1108541351 UMMZMXZRURVVDA-WFASDCNBSA-N 307.394 -0.001 30 20 DBED C[C@@H](CNc1ncccc1C#N)NC(=O)CN1CCNC(=O)C1 1108631743 FLVQXABQKJYUOM-NSHDSACASA-N 316.365 -0.698 30 20 DBED COCC#CCN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCNC(N)=O)C2 1108817961 WLSJDDGLAPJXEC-IHRRRGAJSA-N 322.409 -0.336 30 20 DBED C[C@@H](CN(C)c1ccnc(C#N)n1)NC(=O)c1ncn(C)n1 1108933873 XPOKTOOTSUYEGV-VIFPVBQESA-N 300.326 -0.269 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H]1CN(C)CCO1 1109114137 ZDEVJVWPXRDMJE-FXUDXRNXSA-N 321.421 -0.312 30 20 DBED C[C@H](CN(C)c1ncccc1C#N)NC(=O)[C@H]1CN(C)C(=O)N1 1109194368 QRYJDPPKFQNIPR-ZYHUDNBSSA-N 316.365 -0.082 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H](O)C(C)C 1110521583 OJVLGVYGSUQISB-GUIRCDHDSA-N 307.394 -0.526 30 20 DBED COC[C@@H](C)C(=O)N(C)[C@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1111175635 NAIDTVVXQGZADO-WXHSDQCUSA-N 319.365 -0.361 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)CNC(N)=O)C[C@H](C)O2 1111535919 UXKIEWFQJURQRI-LBPRGKRZSA-N 308.382 -0.630 30 20 DBED CNC(=O)CC(=O)N1C[C@@H](C)[C@@H](Nc2ccc(C#N)nn2)C1 1112308562 IZQQDLYIFNYGDK-KOLCDFICSA-N 302.338 -0.257 30 20 DBED CCCn1nccc1C(=O)N1CCN(CC(=O)NCC#N)CC1 1112893307 BNEJHFQXGJSDKV-UHFFFAOYSA-N 318.381 -0.309 30 20 DBED C[C@H](N=c1cc[nH]cc1C#N)[C@H](C)NC(=O)CS(C)(=O)=O 1112927229 YCDQULLDWKJMJE-UWVGGRQHSA-N 310.379 -0.275 30 20 DBED C[C@@H](NC(=O)CN1CCOCC1)[C@@H](C)Nc1cnc(C#N)cn1 1112971421 QWBZYMMGTIPVDG-VXGBXAGGSA-N 318.381 -0.014 30 20 DBED CCN1CCOC[C@@H]1C(=O)N1CCN(CC#CCOC)CC1 1113050492 OWPGLYCEIUNMIL-OAHLLOKOSA-N 309.410 -0.499 30 20 DBED CC(=O)N[C@H](C)C(=O)NC[C@H](C)N(C)c1nccnc1C#N 1113508310 HUONONZHGVEZLP-VHSXEESVSA-N 304.354 -0.186 30 20 DBED C[C@H](CNC(=O)[C@]1(C)CNC(=O)C1)N(C)c1ccc(C#N)nn1 1113784604 YTJYNOAFNJFGNB-BMIGLBTASA-N 316.365 -0.185 30 20 DBED C[C@@H](CNC(=O)[C@H]1CC(=O)N(C)C1)N(C)c1ccnc(C#N)n1 1113943995 SGWMLIFMDJDVHU-QWRGUYRKSA-N 316.365 -0.233 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)CCOCC)[C@H]2C1 1114044887 OWDMBACTBRRBMU-RMRHIDDWSA-N 307.394 -0.403 30 20 DBED N#CCNC(=O)CN1C[C@@H]2C(NC(=O)C3=CCOCC3)[C@H]2C1 1114164971 ZEIPMFHLBJAVCC-RYUDHWBXSA-N 304.350 -0.981 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)c3cncn3C)[C@H]2C1 1114524572 XAZFEFRKTXECIR-NMKXLXIOSA-N 317.393 -0.229 30 20 DBED C=C(CC)CNC(=O)C(=O)NC[C@H]1CCCN1S(C)(=O)=O 1118029990 HDDLUUZFMMTGEE-LLVKDONJSA-N 317.411 -0.391 30 20 DBED N#Cc1nccnc1N[C@H](CO)CNC(=O)CCn1cccn1 1121074608 ZOELWNLJXHHQFR-NSHDSACASA-N 315.337 -0.476 30 20 DBED COC(=O)NCC(=O)NC[C@H](CO)Nc1ccc(C#N)cn1 1121113822 YCYZADDVHFFALW-SNVBAGLBSA-N 307.310 -0.802 30 20 DBED CCCC(=O)NCC(=O)NC[C@@H](CO)Nc1ccc(C#N)cn1 1121160600 ZSVREAPBJKTNPU-LBPRGKRZSA-N 319.365 -0.241 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)[C@H]2CCC(=O)N2)nc1 1121235429 ONMFZGKZVULCDU-GHMZBOCLSA-N 303.322 -0.879 30 20 DBED Cc1cc(CC(=O)NC[C@@H](CO)Nc2cncc(C#N)n2)n[nH]1 1121287851 JFILOHHRSGLEFX-LBPRGKRZSA-N 315.337 -0.489 30 20 DBED Cc1cc(N[C@H](CO)CNC(=O)C#CC2CC2)n2ncnc2n1 1121439464 LIXMCEWHQKLRKH-LBPRGKRZSA-N 314.349 -0.265 30 20 DBED C=CCn1c(CCc2cncnc2)nnc1N1CCNC(=O)C1 1121594618 UMZKVMCNKMAVIK-UHFFFAOYSA-N 313.365 -0.025 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)CO[C@H]2CCOC2)cn1 1122070819 OISZXGZUDOXMHA-KGLIPLIRSA-N 320.349 -0.352 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)C[C@H]2CCNC2=O)cn1 1122192365 YGZVDFLPFMKNLB-ZWNOBZJWSA-N 317.349 -0.632 30 20 DBED N#Cc1nccnc1N[C@@H](CO)CNC(=O)c1n[nH]cc1F 1122494065 MEJJBYQNIHIBOI-SSDOTTSWSA-N 305.273 -0.587 30 20 DBED N#Cc1cnc(N[C@H](CO)CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)cn1 1122637446 SYTCKMDRBPQRMR-LOWDOPEQSA-N 317.349 -0.195 30 20 DBED CNC(=O)NCC(=O)N1C[C@H](N=c2cc[nH]cc2C#N)C[C@H]1C 1123318556 ICJZQWOVDJZUJR-ZYHUDNBSSA-N 316.365 -0.295 30 20 DBED N#Cc1c[nH]c(C(=O)NCCNC[C@H](O)CN2CCCC2=O)c1 1125391031 OPZPAYBKLYDMHS-LBPRGKRZSA-N 319.365 -0.811 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)[C@@H]2CCCNC2=O)C1=O 1129957719 SADJUJMDAVQRRR-NEPJUHHUSA-N 308.382 -0.995 30 20 DBED C=CCCN[C@@H]1CN(C(=O)[C@H](COC)OC)C[C@@H]1n1ccnn1 1130002794 RIWQGUPIVSBEFT-RDBSUJKOSA-N 323.397 -0.143 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H](C)O[C@@]2(CCN(CC#N)C2)C1 1131652552 KEGBFAKUQQAXOI-XJKSGUPXSA-N 318.377 -0.659 30 20 DBED C=CCNC(=O)CNC[C@H]1CN(C(=O)CC(N)=O)CC[C@H]1C 1132719171 WGWZZHDMURUJDN-NEPJUHHUSA-N 310.398 -0.762 30 20 DBED C=CCn1cc(C(=O)NCCN[C@@H]2CCN(C(C)C)C2=O)nn1 1134973197 HXPLXNUPHNFHJQ-GFCCVEGCSA-N 320.397 -0.207 30 20 DBED CN(C)Cc1ccc(C(=O)NCCNCC(=O)NCC#N)cc1 1135341448 WUXCLSGBKGUWEP-UHFFFAOYSA-N 317.393 -0.293 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1nnn(C(C)C)c1C 1135987704 BLBQRRFGHVTDMC-NSHDSACASA-N 320.397 -0.375 30 20 DBED N#CCNC(=O)CN1CCCO[C@H](CNC(=O)C#CC2CC2)C1 1149694365 NFSRASXHRTVXFN-CQSZACIVSA-N 318.377 -0.753 30 20 DBED C=CCOCCN1CCC(CCOC)(NC(=O)C(N)=O)CC1 1151281884 SFTBTRPFFZMAKV-UHFFFAOYSA-N 313.398 -0.338 30 20 DBED C=CCNC(=O)NC(=O)CNCCCNC(=O)CCSC 1154443659 XMCXKMASHCSHEE-UHFFFAOYSA-N 316.427 -0.153 30 20 DBED Cn1ncc(Cl)c1C(=O)NCCCNCC(=O)NCC#N 1158176154 JWRKPUCELYHCHU-UHFFFAOYSA-N 312.761 -0.577 30 20 DBED N#CCN1CC=C(CCNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 1161200862 VIRHNCHSRONHTJ-QWHCGFSZSA-N 306.366 -0.319 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)C1(C(=O)N(C)C)CC1 1170755188 APVGUKVXKKWCOJ-GFCCVEGCSA-N 324.425 -0.359 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)CCN1CCCC1=O 1176349645 MUDZSGVSYKFFFT-ZDUSSCGKSA-N 324.425 -0.215 30 20 DBED CC#CCN1CCO[C@H]2CCN(C(=O)C(=O)NCC3CC3)C[C@H]21 1177123750 CXTATFCJOJVFTF-CABCVRRESA-N 319.405 -0.162 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2n[nH]c(C)c2O)[C@H]1C 1178467824 QFXGQYMYBNIZKG-QWRGUYRKSA-N 319.365 -0.634 30 20 DBED C[C@H](OCC1CC1)C(=O)N1CC[C@@H](NCC(=O)NCC#N)C1 1181444288 WAYOTICZZDLMOS-WCQYABFASA-N 308.382 -0.368 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)CC2(O)CCC2)C1 1182397162 BFVMKQRWHLAXKP-CHWSQXEVSA-N 307.394 -0.380 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2c[nH]nc2CC)C1 1183878017 ZDZVRGBZLDMENJ-NWDGAFQWSA-N 317.393 -0.086 30 20 DBED C#CCNC[C@H]1CCN(C(=O)CS(=O)(=O)N(C)C)C[C@H]1C 1185604675 NZTJBUSFSSHDIG-CHWSQXEVSA-N 315.439 -0.415 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@@H](N(C)CC(=O)NCC#N)C1 1190094750 MYAGMJWKRPOOGE-CHWSQXEVSA-N 306.366 -0.803 30 20 DBED C=CCCN(C)[C@@H]1CCN(C(=O)[C@@H](CCC(N)=O)NC(C)=O)C1 1192888794 NLJPKKFTYKZQKK-ZIAGYGMSSA-N 324.425 -0.135 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)CNC(=O)c2ccncc2)C1 1193140637 AVSARIUKDGPRFR-ZIAGYGMSSA-N 318.377 -0.451 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)[C@H](C)c2cncnc2)C1 1195581064 MRKANMOFWSMXKD-BPLDGKMQSA-N 320.393 -0.056 30 20 DBED C[C@@H]1CCO[C@@H]1C(=O)N1CCCN(CC(=O)NCC#N)CC1 1197203317 PDDRDIFJXWSOKM-OCCSQVGLSA-N 308.382 -0.415 30 20 DBED CCS(=O)(=O)N(C)CC(=O)N1CCCN(CC#N)CC1 1197658406 BLJVVBWEEUJHIP-UHFFFAOYSA-N 302.400 -0.674 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)CCc2cn(C)nn2)C1 1199515055 OICXOPHUGZVOJH-ZIAGYGMSSA-N 307.398 -0.125 30 20 DBED C=CCOCCNC[C@H]1CN(C(=O)CNC(C)=O)CCCO1 1199716896 QAVWXIYCDKXZKU-AWEZNQCLSA-N 313.398 -0.468 30 20 DBED COCC#CCNC1CCN(C(=O)CN2CCCNC2=O)CC1 1201441102 ZAUXIAWTKHZKDZ-UHFFFAOYSA-N 322.409 -0.368 30 20 DBED COCC(=O)NCCC(=O)N[C@@H]1C[C@H](NCC#N)C12CCC2 1202997531 YHMRDNNNQPLUOF-NWDGAFQWSA-N 308.382 -0.320 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)[C@@H]2CCO[C@H]2C)CC1 1203052148 MCAOMUKJCSMKRG-GXTWGEPZSA-N 307.394 -0.259 30 20 DBED Cc1cc(C(=O)N2CCC[C@H](NCC(=O)NCC#N)C2)ncn1 1207814661 WPSDCBLILUZUGS-LBPRGKRZSA-N 316.365 -0.381 30 20 DBED COCC#CCN[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(C)C2)C1 1208263718 ATTOONINSYJBJS-KGLIPLIRSA-N 307.394 -0.305 30 20 DBED COC[C@H](O)CN1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@H](OC)C1 1212081746 UKIUJJDJXDXEOK-MRVWCRGKSA-N 322.365 -0.677 30 20 DBED CCN(CCC#N)C(=O)CN1C[C@H](O)[C@H](NC(=O)C=C(C)C)C1 1219141068 DWTQWYXNSPWKLP-KGLIPLIRSA-N 322.409 -0.124 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)CNC(=O)C2CC2)C1 1219240699 WRZJDDQGVOIGQF-MNOVXSKESA-N 301.774 -0.574 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)Cc2cccnc2)C1 1219462176 SGLRMDOJEFHYEK-KGLIPLIRSA-N 318.377 -0.912 30 20 DBED CCn1nnc(C)c1CN1C[C@H](O)[C@H](NC(=O)C#CC(C)C)C1 1219581160 IKZSHEHFINTNGR-HIFRSBDPSA-N 319.409 -0.073 30 20 DBED Cc1nccnc1CN1C[C@H](O)[C@H](NC(=O)C#CC2CC2)C1 1219593438 SNMYNNITCYMNJY-CABCVRRESA-N 300.362 -0.140 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C[C@H]2C=CCCC2)C1 1219862959 WBIBNEIFWNXTQZ-ZNMIVQPWSA-N 319.405 -0.357 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)CCS(C)(=O)=O)C1 1219889447 RUOXENYRYDDTMX-ZJUUUORDSA-N 310.803 -0.665 30 20 DBED C=CCCCN1C[C@H](O)[C@H](NC(=O)CC[C@H]2NC(=O)NC2=O)C1 1220933556 CWDPJPFICGPZMZ-UTUOFQBUSA-N 324.381 -0.898 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(CCC[C@H](C)O)C[C@@H]1O 1221139951 VTCNYUZPHOPBIE-MJBXVCDLSA-N 300.399 -0.099 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CCN(C(=O)[C@@H](C)COC)C[C@@H]21 1222443476 XZVQYRMWMGVLTE-ZNMIVQPWSA-N 321.421 -0.059 30 20 DBED C=CCOCCN[C@@H]1CCCC[C@H]1NC(=O)Cn1ncnn1 1226284349 VDBBEXDHBQJBCN-CHWSQXEVSA-N 308.386 -0.107 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)c2ccnc(O)c2)CC1 1226832851 ZOKBIGJYJYWJAP-UHFFFAOYSA-N 316.361 -0.269 30 20 DBED CC#CCN[C@@H]1CCCC[C@H]1NC(=O)CS(=O)(=O)NC 1230174537 GVGXYMYHGIDBLP-VXGBXAGGSA-N 301.412 -0.424 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@@H]1CN(C)C(=O)c1cn[nH]c1 1230844425 KXDARUXUWKZQHP-DGCLKSJQSA-N 303.366 -0.306 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)CCCNC(=O)[C@@H]1CCCOC1 1235581185 CNMSIDDXTNYNJH-ZIAGYGMSSA-N 309.410 -0.011 30 20 DBED C=CCCn1cc(C(=O)NCCCn2cc(CO)nn2)nn1 1261439851 XRTCFZICJKRTOE-UHFFFAOYSA-N 305.342 -0.242 30 20 DBED CCS(=O)(=O)CCNC(=O)C(=O)NCc1ccc(C#N)cc1 1322217564 ZGKPAWOZLVPNDJ-UHFFFAOYSA-N 323.374 -0.275 30 20 DBED CNC(=O)[C@H]1CCCN(C(=O)C(=O)Nc2ccc(C#N)cn2)C1 1324501415 AFCOSYQIMRBSFO-NSHDSACASA-N 315.333 -0.124 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CCC(CO)CC2)nn1 1325986996 RSLOWRUKNWLQEQ-UHFFFAOYSA-N 307.354 -0.689 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N(C)CCCSC 1327401718 DBPNHSFXOGOFGA-UHFFFAOYSA-N 322.452 -0.085 30 20 DBED C#CCCCCNC(=O)C(=O)NC[C@H]1CC[C@H](C(=O)N(C)C)O1 1329047206 XQVCZYPTCYQIGF-CHWSQXEVSA-N 323.393 -0.342 30 20 DBED C#CCNCC(=O)Nc1ccc(C[C@H]2NC(=O)NC2=O)cc1 1343573816 UUTJAEVYRKFFGH-GFCCVEGCSA-N 300.318 -0.402 30 20 DBED C=CCNC(=O)Cc1noc(CCCN2C(=O)CCC2=O)n1 1343845175 FZBAGSQPNFVNNT-UHFFFAOYSA-N 306.322 -0.004 30 20 DBED C[C@H](C(=O)N1CCN[C@H](c2cnn(C)c2)C1)n1cnc(C#N)n1 1363407151 NSOBZTLPWPGVDI-PWSUYJOCSA-N 314.353 -0.383 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CCN(C(=O)CN(C)C(=O)C2CC2)C1 1385609615 DRKAWUJEWCPBFC-JQWIXIFHSA-N 306.366 -0.268 30 20 DBED C[C@H](C#N)C(=O)N(C)CCN(C)C(=O)[C@@H]1CCCS1(=O)=O 1391845864 UVXJHVUQJQKJIY-MNOVXSKESA-N 315.395 -0.360 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)c2cc(=O)n(C)cn2)C1 1397206843 DHKRPVOYDGPNQG-OPRDCNLKSA-N 303.322 -0.683 30 20 DBED CCn1cc(CCN2CC(O)(CNC(=O)[C@H](C)C#N)C2)cn1 1402319036 KWCJTIFSQZAKSO-GFCCVEGCSA-N 305.382 -0.232 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C)C(=O)c1cccn2nnnc12 1415599858 SPVMWTPBIFZNAZ-VIFPVBQESA-N 301.310 -0.528 30 20 DBED C=C(Cl)CN1CC(O)(CNC(=O)C[C@@H]2CCC(=O)N2)C1 1440085756 POEYUGPMJGFBDU-JTQLQIEISA-N 301.774 -0.430 30 20 DBED CC(=O)NCC(=O)N1CC[C@H]1CN(C)C(=O)c1cc(C#N)c[nH]1 1452835199 QWAJRKBXPDHTNX-LBPRGKRZSA-N 317.349 -0.305 30 20 DBED COC(=O)NCC(=O)NC[C@H]1CCCN(C(=O)[C@@H](C)C#N)C1 1454430140 FXDRIAOBOMKWLD-WDEREUQCSA-N 310.354 -0.143 30 20 DBED CCC(=O)N[C@@H](C)C(=O)NCCN(C)C(=O)c1ccc(C#N)[nH]1 1455283959 LEAUEXRPOMMLAQ-JTQLQIEISA-N 319.365 -0.011 30 20 DBED CCC(=O)N1CC[C@H](C(=O)N2CC(NC(=O)[C@H](C)C#N)C2)C1 1456399865 WPYGENURCKMHAH-MNOVXSKESA-N 306.366 -0.268 30 20 DBED CCc1nnc(C(=O)NCCn2cc(C#N)c(O)nc2=O)s1 1470361240 PYRZRXUKRYPDNU-UHFFFAOYSA-N 320.334 -0.336 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCNC(=O)CCn1cnccc1=O 1528597812 SJAPMOSPHRDECO-NSHDSACASA-N 305.338 -0.632 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)[C@H]2C[C@@H]2C(=O)O)CC1 1573368243 KLXHUPBIJWIMQF-RYUDHWBXSA-N 309.366 -0.410 30 20 DBED C#C[C@@H](NC(=O)C[C@@H]1CNCCS1(=O)=O)C1CCOCC1 1574505551 TYTJSFBGEUWMBF-CHWSQXEVSA-N 314.407 -0.692 30 20 DBED COCC#CCN[C@@H](C)CCNC(=O)[C@@H](C)OCc1cnn[nH]1 1576952382 HXJYYHOOCFMLSG-QWHCGFSZSA-N 323.397 -0.156 30 20 DBED N#CCCN1CCN(C(=O)c2cnnn2C2CCNCC2)CC1 1580051200 AUPYBVFIFNVIOU-UHFFFAOYSA-N 317.397 -0.126 30 20 DBED C#C[C@@H](NC(=O)C(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)O)C1)[C@H]1CCCO1 1588370631 JGVTURXKWBGGHW-PWMNWJTFSA-N 320.345 -0.347 30 20 DBED C#CCN(CC(=O)O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1588408677 YPNXYRABMYVDKA-OUKQBFOZSA-N 320.305 -0.758 30 20 DBED C#CCN1CCC(C(=O)N2CCNC(=O)[C@H]2CC(=O)O)CC1 1588471394 MBVKAMADLFPALU-GFCCVEGCSA-N 307.350 -0.867 30 20 DBED C#CCNCc1cn(C2CN(C(=O)[C@H]3C[C@H]3C(=O)O)C2)nn1 1588485555 XCZRHAYXFDRMPY-NWDGAFQWSA-N 303.322 -0.895 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)c1ccc(C(=O)O)nc1 1588843849 JFEDSNKPLJNMOE-UHFFFAOYSA-N 307.262 -0.052 30 20 DBED Cc1noc(C2CN(c3cnc(C#N)c(-c4nn[nH]n4)n3)C2)n1 1592460726 IPNSZQCAYDVOAS-UHFFFAOYSA-N 310.281 -0.176 30 20 DBED Cc1ncc(Cn2c(=O)c(C#N)cn(CC(=O)O)c2=O)s1 1594468925 RJVMTLZOYYADPI-UHFFFAOYSA-N 306.303 -0.221 30 20 DBED C#C[C@@H](CO)NC[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 1602687570 CQOHSWPDBPLZLW-NWDGAFQWSA-N 303.322 -0.810 30 20 DBED C=CCn1c(N2CC[C@H](C(=O)O)C2)nnc1[C@@]1(O)CCOC1 1602730251 YWEUPMPEVXPULB-IINYFYTJSA-N 308.338 -0.017 30 20 DBED C#CCOCCNS(=O)(=O)c1ccsc1-c1nn[nH]n1 1602731918 ICULXDZFVFCVJQ-UHFFFAOYSA-N 313.364 -0.144 30 20 DBED C=CCO[C@H]1CCN(C(=O)C(=O)N2C[C@@H](C)[C@H](C(=O)O)C2)C1 1602906452 GOBJIJCZFKWESR-GRYCIOLGSA-N 310.350 -0.031 30 20 DBED CCCNC(=O)[C@@H](C)Nc1cnc(-c2nn[nH]n2)c(C#N)n1 1604219259 FPZOQINEUUYXCI-SSDOTTSWSA-N 301.314 -0.145 30 20 DBED C#CC[C@H](NC(=O)CCn1nnc2ccccc2c1=O)C(=O)O 1609079027 UAPHZWZGUUQEOT-LBPRGKRZSA-N 314.301 -0.226 30 20 DBED C#CCNC(=O)CN[C@H](C)CNC(=O)CCc1cn(C)nc1C 1752905658 FILUHQAOEAMZPQ-GFCCVEGCSA-N 319.409 -0.495 30 20 DBED C#CCN1CCN(CCN(C)C(=O)c2cnn3cc[nH]c23)CC1 1753344644 NMQSLPHUYZXWEB-UHFFFAOYSA-N 314.393 -0.015 30 20 DBED C#CCO[C@@H](C)C(=O)NC1CN(CC(=O)N(CC)C2CC2)C1 1753378169 VCUGVFVLRBUXCA-LBPRGKRZSA-N 307.394 -0.164 30 20 DBED C=CCNC(=O)CN1CC(NC(=O)c2cnn3cccnc23)C1 1753383641 JDGLPFRUTPICQX-UHFFFAOYSA-N 314.349 -0.555 30 20 DBED C=CCN1CC[C@H](N(CC)C(=O)Cn2cnc(C(N)=O)n2)C1 1753457837 YVSXFBZYLJOAFQ-NSHDSACASA-N 306.370 -0.514 30 20 DBED C#CCCNC[C@@H](C)CNC(=O)[C@@H]1Cc2cncn2C(=O)N1 1753628029 XSHGYDMNVMGTKM-YPMHNXCESA-N 303.366 -0.269 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)[C@@H](C)CNCc1nnnn1C 1753697472 WOZVMVYKIIJODE-STQMWFEESA-N 319.413 -0.756 30 20 DBED C=CCNC[C@@H](O)CNC(=O)[C@H]1COCCN1CC(F)F 1753922077 NLVZIWKFDMZVFJ-GHMZBOCLSA-N 307.341 -0.795 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)CNCC(=O)NC(=O)NC 1754243056 YRRDDAOIQLYQSU-MXWKQRLJSA-N 312.370 -0.873 30 20 DBED C=CCNC(=O)CNC[C@@H](C)NC(=O)[C@H]1CCCCN(C)C1=O 1754249866 XNWUBADSLKGRSA-CHWSQXEVSA-N 324.425 -0.359 30 20 DBED C=CCCCN1C[C@H]2C[C@H]1[C@H]2NC(=O)CN1C(=O)CNC1=O 1754430747 UUEONRQZIICUTE-SUNKGSAMSA-N 306.366 -0.307 30 20 DBED CC[C@H]1CN(C(=O)CCNC(=O)COC)CC[C@@H]1NCC#N 1754463782 GKYUVLMIJMZRSF-STQMWFEESA-N 310.398 -0.121 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCN1CC(=O)NC(N)=O 1754498125 SSVMCFDLSDOSIC-GVXVVHGQSA-N 324.381 -0.647 30 20 DBED C=CCCCN1CC(O)(CNC(=O)[C@H]2CCS(=O)(=O)C2)C1 1754770348 HUAYADLANUHGPC-LBPRGKRZSA-N 316.423 -0.450 30 20 DBED C=CCNC(=O)CNC[C@H]1CN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C[C@H]1C 1754821378 QMWZBIRIEDYBBB-AQRJEWBLSA-N 321.421 -0.135 30 20 DBED C=CCNC(=O)CN1CCC[C@](CO)(NC(=O)[C@H]2C[C@@H]2C)C1 1754857435 HVTHEKWCBCBQGW-XEZPLFJOSA-N 309.410 -0.112 30 20 DBED C=CCNC(=O)[C@@H](C)NCC1CC(NC(=O)C(C)(C)C(N)=O)C1 1755212767 FYIGYTPYUXQWSQ-VOMCLLRMSA-N 324.425 -0.327 30 20 DBED C#CCCN[C@@H](C)[C@H](C)NC(=O)c1cn(C)c(=O)n(C)c1=O 1755256950 PXVBMQIAPUXGRE-QWRGUYRKSA-N 306.366 -0.796 30 20 DBED COCC#CCN[C@@H](C)[C@H](C)NC(=O)c1cn(C)c(=O)n1C 1755268437 GCFVXSKHSJUIFM-RYUDHWBXSA-N 308.382 -0.530 30 20 DBED C=CCCC(=O)NC1(CCO)CN([C@@H](C)c2nnnn2C)C1 1755330794 TXUBFUAJVWUMIZ-NSHDSACASA-N 308.386 -0.210 30 20 DBED C#CCN[C@@H](C)[C@H]1CN(C(=O)CCN2C(=O)CCC2=O)CCO1 1755443080 AMNLHPYOVJJRGP-QWHCGFSZSA-N 321.377 -0.636 30 20 DBED C=CCN1CC[C@@H](N[C@@H](CO)CNC(=O)Cc2ccon2)C1=O 1755626789 MZHCACPAGLMVAT-CHWSQXEVSA-N 322.365 -0.929 30 20 DBED CN(CC#N)C[C@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1cnn(C)c1 1755805566 OZTLLGXQPVBEHA-MELADBBJSA-N 305.382 -0.202 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@H]1C[C@H](CNC(=O)c2nnn(C)n2)C1 1756249188 TVRMPWUSZLTGAF-BHDSKKPTSA-N 322.369 -0.838 30 20 DBED COc1cccc(C(=O)N[C@@H](CO)CNC(=O)C#CC2CC2)n1 1756520321 ZCCCKRMZMIZCFV-GFCCVEGCSA-N 317.345 -0.290 30 20 DBED C=CCCC(=O)NC[C@H](CO)NC(=O)C[C@H]1CCCC(=O)N1 1756520506 XUXSKURJDYCXNN-VXGBXAGGSA-N 311.382 -0.395 30 20 DBED C=CCOCC(=O)N[C@@H]1CCCN(C(=O)CC(=O)NC)[C@@H]1C 1756625712 ZQHDIGQEXLKJSQ-VXGBXAGGSA-N 311.382 -0.179 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H](O)CN(C)C(=O)/C(C)=C\CC 1756655121 GUJUOGSOKDNBGB-FFXRNRBCSA-N 323.393 -0.582 30 20 DBED CN(C(=O)C#CC1CC1)C1CC(NC(=O)c2ncn(C)n2)C1 1756739965 PMSWFPWBNORADP-UHFFFAOYSA-N 301.350 -0.052 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(C(=O)c2cnco2)C[C@H]1OC 1757129157 XAHZNMHALFYSEW-NQBHXWOUSA-N 321.333 -0.332 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)CCn2cccc2)C[C@@H]1O 1757162822 YDLPRLDARYNZCL-KGLIPLIRSA-N 321.377 -0.231 30 20 DBED N#Cc1ncn(CCNC(=O)CNC(=O)OCC(F)(F)F)n1 1771699181 BFXMARCKDCXFSY-UHFFFAOYSA-N 320.231 -0.446 30 20 DBED Cn1c([C@@H]2CCC(=O)NC2)nnc1N1CCN(CCC#N)CC1 1772158888 MSKCLGVJUMFYHV-GFCCVEGCSA-N 317.397 -0.156 30 20 DBED N#CCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cn1cnnn1)C2 1795855986 RFOPRJZRFQHMJJ-ZSBIGDGJSA-N 317.353 -0.385 30 20 DBED CN(C)C(=O)[C@H]1CC[C@@H](C/N=C(\N)N2CCSCC2)O1 91537490 LMNNHKGSBGBIIL-WDEREUQCSA-N 300.428 -0.014 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N2CCCC[C@@H]2C(=O)O)CCO1 93932518 DHEUNRRYZPBBIJ-NXEZZACHSA-N 303.340 -0.605 30 20 DBED Cn1c(N2CCCN3CCC[C@@H]3C2)c(C#N)c(=O)n(C)c1=O 142898975 PSHKJIQQOFGSMR-LLVKDONJSA-N 303.366 -0.370 30 20 DBED CN(C)C(=NCCC(=O)N[C@H]1CCS(=O)(=O)C1)N(C)C 261972207 DLZLFRWKBUXATN-JTQLQIEISA-N 304.416 -0.841 30 20 DBED N/C(=N/CCN1C(=O)CNC1=O)N[C@@H]1CCOc2ccccc21 262553001 ZLNYGWGZKXQZAY-LLVKDONJSA-N 317.349 -0.034 30 20 DBED C=CCNC(=O)c1ccc(N2CCN(CC(N)=O)CC2)nc1 264865696 LRAQIYHQHGIUTQ-UHFFFAOYSA-N 303.366 -0.395 30 20 DBED N#Cc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(N)=O)O2)cc1 268329467 IGOHURDAPXJBAV-ZYHUDNBSSA-N 309.347 -0.131 30 20 DBED C=CC[C@H](NS(=O)(=O)c1cnn(CCOC)c1)C(=O)O 274962715 VGEHYPNUOUMZQZ-JTQLQIEISA-N 303.340 -0.163 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@@H](C)OC[C@H]2C)C1=O 299560548 SDEHSCKAQSTEEM-NXEZZACHSA-N 309.322 -0.401 30 20 DBED CC1(C)CN(CC/N=C(/O)NC[C@]2(O)CCOC2)CCO1 328724197 ATCUSUKOAQCAMU-CQSZACIVSA-N 301.387 -0.248 30 20 DBED CN1CCN(C)[C@@H](C/N=C(/O)CCSc2nnnn2C)C1 329359474 HVWISVHQVQEDJQ-JTQLQIEISA-N 313.431 -0.105 30 20 DBED CN1CC[C@@H](/N=C(/O)N2CCN(Cc3cnn(C)c3)CC2)C1=O 329419679 HBHGSKNXYHDIAM-CYBMUJFWSA-N 320.397 -0.318 30 20 DBED Cn1nncc1CN/C(O)=N/C[C@H]1CCCN1S(C)(=O)=O 329526570 HOYIDONJTREXNS-SECBINFHSA-N 316.387 -0.757 30 20 DBED O=S1(=O)CCCC[C@@H]1/C(O)=N/CCN1CCCS1(=O)=O 329554965 DPKUDQOMBCEXFW-SNVBAGLBSA-N 324.424 -0.054 30 20 DBED C=CCN1CC[C@H](N2CCC(NS(=O)(=O)NC)CC2)C1=O 330903695 CMSQXYOPWIVWQF-LBPRGKRZSA-N 316.427 -0.709 30 20 DBED CN1C[C@H](/N=C(/O)N2CCC(N(C)CCCO)CC2)CC1=O 331109218 HSNGQPYFRXQTPS-GFCCVEGCSA-N 312.414 -0.090 30 20 DBED N#CCC/N=C(/O)Nc1cnn(CC(=O)N2CCOCC2)c1 331137069 KYAXULXSMSIGON-UHFFFAOYSA-N 306.326 -0.019 30 20 DBED O=C(C/N=C(/O)N1CCC[C@H](OCCO)C1)N1CCOCC1 331214611 BRVOINBFEDRRLQ-LBPRGKRZSA-N 315.370 -0.768 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)NC(C)(C)CS(C)(=O)=O 336954744 XWHGKPPZEPCVSK-SECBINFHSA-N 311.429 -0.265 30 20 DBED CCN(CCNS(=O)(=O)N1CCO[C@H](C#N)C1)C(C)C 337171722 GADVLIYYUMOTMP-GFCCVEGCSA-N 304.416 -0.225 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CCC[C@H]2C(=O)NC[C@H]21 337231499 IXOAPSXDIFOHAO-GHMZBOCLSA-N 300.384 -0.323 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(C)[C@H]2CCC[C@H]2O)C1=O 341787038 FAQHDFGPCKYNIB-VHSXEESVSA-N 309.322 -0.665 30 20 DBED CC#CCCCC(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 342190535 QWEFEYPDKHEPFT-LBPRGKRZSA-N 314.407 -0.010 30 20 DBED N#Cc1ncn(CCNC(=O)CNC(=O)c2ccc(F)cc2)n1 342882606 LGLXWILBXVZTPM-UHFFFAOYSA-N 316.296 -0.165 30 20 DBED CC(C)(NC(=O)c1ccccc1)C(=O)NCC(=O)NCC#N 344152333 ISRWMHWEQVTPQJ-UHFFFAOYSA-N 302.334 -0.049 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@@H](C)C[S@](C)=O 345404806 ACUYKMADZOGBJC-OSCVLKFXSA-N 316.423 -0.033 30 20 DBED C=C[C@@H](CO)NS(=O)(=O)c1ccccc1S(C)(=O)=O 349774338 HPSXJOPYSHTCDW-VIFPVBQESA-N 305.377 -0.085 30 20 DBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H]1CCCN(C)C1=O 354039970 VKXFTDCDRSFPBN-AVGNSLFASA-N 323.393 -0.179 30 20 DBED C=CCCCN(C)C(=O)C(=O)NCCNC(=O)c1cnccn1 358377758 TXJDIHXTKBNSKK-UHFFFAOYSA-N 319.365 -0.253 30 20 DBED Cn1c(NC[C@H]2CN3CCC[C@H]3CO2)c(C#N)c(=O)n(C)c1=O 365590940 VWIHNQQNYYJNNN-QWRGUYRKSA-N 319.365 -0.769 30 20 DBED N#CCCC[C@@H](N)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 424164541 ZOXQDRWHEUHWIS-CQSZACIVSA-N 321.425 -0.226 30 20 DBED C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[C@H](NC(=O)NC)C1 425897151 IOIKPDIZPSDMLQ-SRVKXCTJSA-N 324.381 -0.776 30 20 DBED C#CCNC(=O)CN1CCN(c2ccc3nccnc3n2)CC1 491125361 DNYWLYXWVGVDGY-UHFFFAOYSA-N 310.361 -0.104 30 20 DBED C#CC(C)(C)N(C)S(=O)(=O)CCCS(=O)(=O)NCC#N 491567121 JLSGXQVVEFDZLN-UHFFFAOYSA-N 321.424 -0.507 30 20 DBED C#CCNC(=O)C1CCN(Cn2nc3ccccn3c2=O)CC1 491637985 ZAGQHHKVGFTQQK-UHFFFAOYSA-N 313.361 -0.085 30 20 DBED C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NC1(C#N)CC1 530283873 LPPUOSOCOALROD-CYBMUJFWSA-N 320.349 -0.226 30 20 DBED C=CCn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](C(N)=O)C1 554618852 ADEFGHIZNRCSBW-NSHDSACASA-N 317.353 -0.445 30 20 DBED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NCCN1CCCC1=O 565784489 WOLPRJYFKGOKSB-GXTWGEPZSA-N 323.393 -0.178 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1CSC[C@H]1C(=O)O 568633236 FYZRNWZKMRTQBQ-VIFPVBQESA-N 323.396 -0.447 30 20 DBED C=CCNC(=O)[C@H]1CCCN1C(=O)c1ccc2c(c1)B(O)OC2 584945128 OFUIFDOINDLOIS-CQSZACIVSA-N 314.150 -0.189 30 20 DBED CN1C[C@@H](NC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)C(=O)N1 590708593 MWQTUHNNOHSEOI-KGLIPLIRSA-N 313.361 -0.012 30 20 DBED CCN1CC[C@@H](NC(=O)C(=O)Nc2cc(C)c(C#N)cn2)C1=O 594299276 HQESOJKUVRQVFE-LLVKDONJSA-N 315.333 -0.063 30 20 DBED CNc1ccc(C#N)cc1NC(=O)CNS(=O)(=O)N(C)C 597605294 NQISPNPCUCNCOU-UHFFFAOYSA-N 311.367 -0.066 30 20 DBED Cc1cc(C#N)cc(NC(=O)C(=O)NC[C@H]2COCCN2)c1 599898234 PPWYVGSQSUHSCC-ZDUSSCGKSA-N 302.334 -0.090 30 20 DBED Cc1ncc(S(=O)(=O)N2C[C@H](O)[C@@H](N(C)C)C2)cc1C#N 601416165 PXYKBPALOUVTKS-STQMWFEESA-N 310.379 -0.443 30 20 DBED CC(C)[C@@](C)(C#N)NC(=O)CN(C)CC(=O)N1CCN(C)CC1 611522678 SCQFSGVYFGIVQZ-MRXNPFEDSA-N 323.441 -0.253 30 20 DBED C=C[C@@](C)(O)C(=O)N1CC2CN(C(=O)[C@](C)(O)C=C)CC2C1 615417122 FHRHGDSZFUNCNT-DCNYZXSGSA-N 308.378 -0.223 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)c2ccn(C)n2)CC1 733150430 JLBSARALNUGMNC-UHFFFAOYSA-N 303.366 -0.683 30 20 DBED CNC(=O)[C@H](C#N)C(=O)c1nc(S(C)(=O)=O)n2ccccc12 743446984 JEDJYBUVDVTFBT-MRVPVSSYSA-N 320.330 -0.194 30 20 DBED C#CCNC(=O)[C@@H](C)OC(=O)[C@H](CO)NC(=O)c1ccccc1 744829409 OBSCZESYIGFEPQ-YPMHNXCESA-N 318.329 -0.542 30 20 DBED C#CCN1CCN(C(=O)CN(C)CC(=O)N2CCCC2)CC1 748809981 OIRUUSDEXSJCAI-UHFFFAOYSA-N 306.410 -0.682 30 20 DBED CS(=O)(=O)NCCNC(=S)Nc1cc(CC#N)ccn1 763168249 CHEVSIYZOBUCEN-UHFFFAOYSA-N 313.408 -0.017 30 20 DBED C#CCNC(=O)[C@@H](C)OC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C 770111842 FZTOWRBMQWLFMV-ZJUUUORDSA-N 318.395 -0.369 30 20 DBED C#CCNC(=O)COC(=O)c1ccc(OC)c(-n2cnnn2)c1 781779267 FKUKZFLONJHZDH-UHFFFAOYSA-N 315.289 -0.423 30 20 DBED C#C[C@@H](C)NC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)cc1 784849802 XFFIIYFTTJVSSB-LLVKDONJSA-N 314.345 -0.301 30 20 DBED CCOc1ccc(C#N)cc1NC(=O)C(=O)NOCC(N)=O 785386043 RCNSSHHFPJOWQL-UHFFFAOYSA-N 306.278 -0.571 30 20 DBED N#Cc1ccc(S(=O)(=O)NC[C@H]2CC(C(N)=O)=NO2)s1 797832957 AYCXCINNKHQWSA-ZCFIWIBFSA-N 314.348 -0.472 30 20 DBED C#C[C@@H](NC(=O)C(=O)NCc1cc(C)ncn1)[C@H]1CCCO1 806200653 JKCDSVCUERBWOX-CHWSQXEVSA-N 302.334 -0.302 30 20 DBED N#CCNC(=O)CNC(=O)c1ccc2c(O)nc(S)nc2c1 807755021 IWWCOSRHNVOVJS-UHFFFAOYSA-N 317.330 -0.006 30 20 DBED C=C[C@@H](O)C(=O)OCCOc1ccc(S(N)(=O)=O)cc1 814548015 LORIGSMUOKTYRY-LLVKDONJSA-N 301.320 -0.197 30 20 DBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC(=O)O 818059138 GTJHFVIMDKYODS-MRVPVSSYSA-N 311.319 -0.574 30 20 DBED CC(C)(C#N)CS(=O)(=O)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 824059390 SCAPHTIATNORHZ-UHFFFAOYSA-N 323.338 -0.196 30 20 DBED COCCCNC(=O)[C@@H](C#N)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 826156059 ODTUDAHSGQLECX-VIFPVBQESA-N 317.309 -0.330 30 20 DBED CC(C)(C)OC(=O)C(=O)N1CCN(CC(=O)NCC#N)CC1 844340172 LGTRLXPAYYKGPO-UHFFFAOYSA-N 310.354 -0.888 30 20 DBED N#Cc1cccc(NC(=O)COC(=O)[C@@H]2CCS(=O)(=O)N2)c1 845367473 GVIKEKKMIWNTBM-NSHDSACASA-N 323.330 -0.268 30 20 DBED CN(CC(=O)NCC#CCO)C1=NS(=O)(=O)c2ccccc21 848041232 XLIMVPSQQZKWBS-UHFFFAOYSA-N 321.358 -0.821 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCc2ocnc2C)C1=O 854588262 SFGFNVBRBGTPSP-UHFFFAOYSA-N 306.278 -0.424 30 20 DBED C=C[C@](C)(O)C(=O)NCCCN(OC)C(=O)[C@](C)(O)C=C 856013923 BITCXDINJXOYQM-UONOGXRCSA-N 300.355 -0.243 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N[C@@H](C)Cn1ccnc1 875090796 QRPRYDOLMCDLRV-STQMWFEESA-N 306.366 -0.068 30 20 DBED COCCNCC(=O)N1CCN(c2ccc(C#N)nc2)CC1 877296376 BZFMWANZQRJNKR-UHFFFAOYSA-N 303.366 -0.162 30 20 DBED CN(C)CC#CCNC(=O)c1cc(S(=O)(=O)N(C)C)c[nH]1 913516905 LCUWHLCVEOTSDW-UHFFFAOYSA-N 312.395 -0.440 30 20 DBED C#CC[C@@H](NS(=O)(=O)c1cnc(OC)s1)C(=O)OC 916252427 PGJSITQEJRAJDQ-SSDOTTSWSA-N 304.349 -0.005 30 20 DBED C[C@@H](C#N)C(=O)N1CCCN(C(=O)CN2CCCC2=O)CC1 940197059 FRYYRQIIWVCTQB-LBPRGKRZSA-N 306.366 -0.171 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@@H](NC(=O)[C@@H]3COC(=O)N3)C2)c1 940234023 HOAGGNNUCBQJLZ-KOLCDFICSA-N 317.305 -0.675 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](NC(=O)CC2CS(=O)(=O)C2)C1 941333899 LUWNVSASFQSIDM-GXSJLCMTSA-N 313.379 -0.702 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)CC(N)=O 943922052 GXUCRJNFGFSRLL-UTUOFQBUSA-N 309.366 -0.440 30 20 DBED C[C@@H]1CN(CC#N)CC[C@H]1NC(=O)CN1CCC(=O)NC1=O 944017079 SFXGQTHPAAKICF-GHMZBOCLSA-N 307.354 -0.722 30 20 DBED C=CCN1CC[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)[C@H](C)C1 944787136 BGENRODMOULRLO-VXGBXAGGSA-N 308.382 -0.107 30 20 DBED CC[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)CC[C@H]1NC(=O)C(N)=O 948384681 KUERTJUPGLJBLC-MWLCHTKSSA-N 317.349 -0.271 30 20 DBED O=C1C[C@H](C(=O)NC[C@@H]2CCN2C(=O)C#CC2CC2)CCN1 949351985 HBQAHQHRXDHMMG-OLZOCXBDSA-N 303.362 -0.357 30 20 DBED CN(C(=O)[C@H]1CNC(=O)N1)C1CCN(C(=O)C#CC2CC2)CC1 954245262 FXXOOZNKTSGKQC-CYBMUJFWSA-N 318.377 -0.469 30 20 DBED CN1CCO[C@H](C(=O)NC[C@@H]2CCCN2C(=O)C#CC2CC2)C1 956005073 VVYMBFAVFIRIOC-GJZGRUSLSA-N 319.405 -0.162 30 20 DBED N#CCN1C[C@H](O)[C@H](CNC(=O)c2cnn3ccncc23)C1 958145388 KBTIJTMPTGWVML-MFKMUULPSA-N 300.322 -0.725 30 20 DBED CC(C)(C)n1cnc(C(=O)NC[C@@H]2CN(CC#N)C[C@@H]2O)n1 958409969 XSOGEKUVCCNHTC-MNOVXSKESA-N 306.370 -0.421 30 20 DBED CC#CCN1C[C@H](O)[C@H](CNC(=O)C2CCN(C(C)=O)CC2)C1 958658284 XNQVXEFYXSGABX-CVEARBPZSA-N 321.421 -0.323 30 20 DBED C=C(C)CN1C[C@@H]2C(NC(=O)c3cn(C)c(=O)n(C)c3=O)[C@H]2C1 961934557 UYVZPOOLJPIIKH-QWRGUYRKSA-N 318.377 -0.680 30 20 DBED C#Cc1ccc(C(=O)NC2[C@@H]3CN([C@H]4CCNC4=O)C[C@@H]23)nc1 962340223 IDTBKRCVICCFLB-BZPMIXESSA-N 310.357 -0.389 30 20 DBED N#CCN1C[C@H]2C(NC(=O)c3ccc4c(c3)C(=O)NC4=O)[C@@H]2C1 962340785 IHRKWSCIUQZQGC-VXGBXAGGSA-N 310.313 -0.246 30 20 DBED Cc1nnccc1C(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1O 969223364 GMYPNOJBGUPYIM-AXTRIDKLSA-N 303.322 -0.754 30 20 DBED N#CCN1CCO[C@@]2(CCN(C(=O)C[C@@H]3CCC(=O)N3)C2)C1 972593078 MCUBNGNMBWZRKP-WFASDCNBSA-N 306.366 -0.518 30 20 DBED CC#CCN1C[C@@H](NC(=O)CN2CCNC(=O)C2)C(C)(C)C1 974908786 CMCLHJSSDNAAKP-CYBMUJFWSA-N 306.410 -0.732 30 20 DBED C#CCN[C@H]1CCN(C(=O)c2nc(O)nc(O)c2OC)[C@@H]1C 987347794 BHVWCQAZYHWCKT-BDAKNGLRSA-N 306.322 -0.278 30 20 DBED C#CCCN1CC[C@@]2(NC(=O)Cn3ncn(C)c3=O)CCC[C@H]12 991476315 VCBBBJQCDRBFQC-BBRMVZONSA-N 317.393 -0.282 30 20 DBED CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H](NCC#N)C(C)(C)C2)O1 996298569 PRKZTANWUUWURT-YNEHKIRRSA-N 322.409 -0.028 30 20 DBED N#CCN[C@@H]1CCCN(C(=O)c2ccc(S(N)(=O)=O)o2)C1 999596154 JUCFXUFCCHNYMN-SECBINFHSA-N 312.351 -0.355 30 20 DBED C=C[C@@](C)(CC)C(=O)N1CC(NC(=O)CN2C(=O)CNC2=O)C1 1000144136 XIFUZFLXCZXNCT-HNNXBMFYSA-N 322.365 -0.533 30 20 DBED C[C@@H]1CCN(C(=O)C(N)=O)C[C@@H]1NC(=O)c1cc(C#N)c[nH]1 1004666961 BMUPYGXBFUJCMQ-KCJUWKMLSA-N 303.322 -0.662 30 20 DBED CC#CCN1CCC(N(C)C(=O)CN2CCC(=O)NC2=O)CC1 1006251109 HTSLZAOHUULFAH-UHFFFAOYSA-N 320.393 -0.126 30 20 DBED CN(C(=O)c1nccnc1C(N)=O)C1CCN(CC#N)CC1 1006384881 QOTFXAJAWWDGMP-UHFFFAOYSA-N 302.338 -0.365 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2COC(=O)N2)CC1 1011076562 JVMDKEMANVGGCD-WOPDTQHZSA-N 323.349 -0.643 30 20 DBED CC(=O)N1CC(C(=O)N[C@H]2C[C@H](C)N(C(=O)C#CC3CC3)C2)C1 1012582525 ROCSPBLSYNWAMJ-NHYWBVRUSA-N 317.389 -0.016 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(CCS(C)(=O)=O)C1 1015721223 FHMOCAQNONZEAP-XQQFMLRXSA-N 316.423 -0.187 30 20 DBED CC(=O)N1CCO[C@@H](C(=O)NC2C[C@@H]3CC[C@H](C2)N3CC#N)C1 1021450610 VEZNYDMGXOVXIP-JALIKCBVSA-N 320.393 -0.131 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]2CN(C(=O)CCn3ccnn3)C[C@H]21 1022564562 MKOFGWCYIVYOBJ-FRRDWIJNSA-N 316.365 -0.113 30 20 DBED C#CCCN1CCCC[C@H]1CNC(=O)[C@H]1CCS(=O)(=O)N1 1024805919 FMIGDZMIDRYPGT-QWHCGFSZSA-N 313.423 -0.328 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(C3CC3)[nH]n2)C1 1025776138 TUHOSDYHEBRVSV-BZHVJNSISA-N 317.349 -0.252 30 20 DBED N#CCN1CC[C@@H](CNC(=O)c2cn([C@@H]3CCOC3)nn2)C1 1028917568 MSMVGGBESHBRMF-NWDGAFQWSA-N 304.354 -0.185 30 20 DBED C=CCCN1[C@H]2CC[C@H]1CN(C(=O)Cn1ncn(C)c1=O)C2 1029370306 YHZJPFKOKLBWHJ-STQMWFEESA-N 305.382 -0.167 30 20 DBED C=C(C)CN1CC(NC(=O)Cn2nc3n(c2=O)CCCC3)C1 1031212037 CGDTXSLVLXZFQE-UHFFFAOYSA-N 305.382 -0.242 30 20 DBED C#CCCN1CC[C@@H](N(C)C(=O)CN2C(=O)NC(C)(C)C2=O)C1 1033637797 RPQAICKWVAVIIB-GFCCVEGCSA-N 320.393 -0.127 30 20 DBED CC(C)(C)N1C[C@H](C(=O)NC[C@H]2CN(CC#N)CCO2)CC1=O 1035393170 XVVHSKLASRAHSI-OLZOCXBDSA-N 322.409 -0.026 30 20 DBED C#CCN1CCO[C@H](CNC(=O)[C@@H]2COCCN2CCCC)C1 1035458286 HMVRUKIFEMGLHY-CVEARBPZSA-N 323.437 -0.063 30 20 DBED C#CCCN1CCO[C@H](CNC(=O)c2cn(C)nc2OC)C1 1035467910 VFYQXSMHXHABAP-GFCCVEGCSA-N 306.366 -0.117 30 20 DBED N#CCN1CCO[C@@H](CNC(=O)c2cn([C@@H]3CCOC3)nn2)C1 1035569853 AGWHCBDHVQYNQI-NEPJUHHUSA-N 320.353 -0.806 30 20 DBED C=C(C)CN[C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C[C@H]1C 1036040677 URDYAJGNJZOUIC-VXGBXAGGSA-N 320.397 -0.220 30 20 DBED C[C@@H]1CN(C(=O)c2cn(C)c(=O)nc2O)CC[C@@H]1NCC#N 1036305940 NFEKVUGKUWJANB-KOLCDFICSA-N 305.338 -0.550 30 20 DBED C[C@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)Cc2ccn(C)n2)C1 1040759492 BMVDWCWYMZFQAN-IAQYHMDHSA-N 319.365 -0.798 30 20 DBED C[C@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)c2cnn(C)c2)C1 1040764809 ZHHKVCBTJXKINI-QMTHXVAHSA-N 305.338 -0.727 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(O)(CNC(=O)C(C)(C)F)C1 1041124995 HHLMKZHIVYCSKN-CYBMUJFWSA-N 302.346 -0.249 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)c2ccc(O)nn2)C1 1041340279 FNHMAAITLHSUDJ-UHFFFAOYSA-N 318.333 -0.855 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@@H]3CCN(CC(N)=O)[C@H]3C2)c1 1042001153 UEPFASLUGKOAFO-AAEUAGOBSA-N 301.350 -0.092 30 20 DBED CC#CCN1CC[C@@H]2CCN(C(=O)C3CS(=O)(=O)C3)C[C@H]21 1042079014 ZVAPJBUBMZHUNY-TZMCWYRMSA-N 310.419 -0.023 30 20 DBED C#CCCN1CC[C@@H]2CCN(C(=O)CN3CCNC(=O)C3)C[C@@H]21 1042182150 CCJGOYJHCXVIPS-CABCVRRESA-N 318.421 -0.636 30 20 DBED O=C(CC1(O)CCC1)NCC1(O)CN(C(=O)C#CC2CC2)C1 1042946136 WSPYFZPYHYSZKR-UHFFFAOYSA-N 306.362 -0.606 30 20 DBED C=CCCOCC(=O)NCC1(O)CN(C(=O)Cc2cnc[nH]2)C1 1043569155 SHEVDHVEYSTTEV-UHFFFAOYSA-N 322.365 -0.766 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)[C@H]2CCC2(F)F)C1 1045556106 WVHLQUATUNSHMS-RKDXNWHRSA-N 301.293 -0.119 30 20 DBED N#Cc1cnc(N[C@H]2C[C@@H](CNC(=O)[C@H]3CCC(=O)N3)C2)cn1 1046297909 KBCLAUUIFJJEJA-JFGNBEQYSA-N 314.349 -0.066 30 20 DBED C=C1CC(C)(C(=O)NCC2(O)CN(C(=O)Cc3cnc[nH]3)C2)C1 1046311929 MNSBCBIRRAQJCN-UHFFFAOYSA-N 318.377 -0.002 30 20 DBED C=CCCCC(=O)N1CC(O)(CNC(=O)[C@@]2(C)CCNC2=O)C1 1046643691 IMISKHJNJIHCRV-HNNXBMFYSA-N 323.393 -0.442 30 20 DBED COc1c(C(=O)N(C)[C@H]2CN(CC#N)C[C@@H]2O)c(C)nn1C 1047552756 URPOVVRWTRRAGN-QWRGUYRKSA-N 307.354 -0.622 30 20 DBED CN(C(=O)CN1CCCCCC1=O)[C@H]1CN(CC#N)C[C@@H]1O 1047619655 UYVDZBOCLVILQT-STQMWFEESA-N 308.382 -0.584 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cc2ccon2)C1 1048592505 CZURUYKJCWZOKF-STQMWFEESA-N 323.349 -0.550 30 20 DBED CC(C)N(C)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)C#N)C1 1049402533 UHOJCUHQHUCRCG-AVGNSLFASA-N 310.398 -0.484 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCOC2)C1 1049417755 AWRNGKKGMVNIOY-CRWXNKLISA-N 324.377 -0.909 30 20 DBED Cn1cnn(CC(=O)N2CCC[C@@H]3[C@H]2CCN3CC#N)c1=O 1049561405 KSGGRYFEQORUNI-VXGBXAGGSA-N 304.354 -0.829 30 20 DBED N#CCN1C[C@@H]2CCCN(C(=O)[C@H]3CCS(=O)(=O)N3)[C@@H]2C1 1050204905 QOWRTNGLQWAGNB-QJPTWQEYSA-N 312.395 -0.876 30 20 DBED N#Cc1cnc(N2CC[C@H](NC(=O)c3cc[nH]n3)[C@H](O)C2)cn1 1051614817 WVZYPHNGYMGMDZ-CMPLNLGQSA-N 313.321 -0.559 30 20 DBED C=CCN1CC2(C1)CN(C(=O)c1cnc(O)n(C)c1=O)CCO2 1053369804 IATMBMXDOWNHLO-UHFFFAOYSA-N 320.349 -0.801 30 20 DBED Cc1c(C(=O)NC[C@@H]2CCC3(CN(CC#N)C3)O2)nnn1C 1053586524 TUTGCJVRAOJODR-NSHDSACASA-N 304.354 -0.390 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)c3ccnc4ccnn34)CO2)C1 1053827827 IXIAFUJYWKGBFA-GFCCVEGCSA-N 311.345 -0.064 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)[C@@H]3CN(C(C)C)CCO3)CO2)C1 1053904565 PXRLFLCQEUQJSA-GJZGRUSLSA-N 321.421 -0.312 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)[C@H]3CCCc4nn[nH]c43)CO2)C1 1053908286 OTFVHDAMPPVQKX-QWRGUYRKSA-N 316.365 -0.292 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H]2CN(C(=O)C(C)(C)F)C[C@H]2C1 1055124156 CLCGUDGQMICAOO-TXEJJXNPSA-N 323.368 -0.209 30 20 DBED C[C@@H](C#N)C(=O)NCCN1CCC(NC(=O)CCN(C)C)CC1 1055631635 JMGDEDHIRGZVCW-ZDUSSCGKSA-N 323.441 -0.205 30 20 DBED C[C@@]1(C(=O)N2CCN(c3cncc(C#N)n3)CC2)CNC(=O)C1 1055963108 SAEYPFAXZULGHO-HNNXBMFYSA-N 314.349 -0.477 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@](CO)(NC(=O)CCCC(N)=O)C1 1055996546 GFPKCACBBPXDNK-XHDPSFHLSA-N 324.381 -0.729 30 20 DBED C[C@@H](C#N)C(=O)N[C@]1(CO)CCCN(C(=O)c2ccon2)C1 1056092581 BRTDASOAHUJAKA-IINYFYTJSA-N 306.322 -0.082 30 20 DBED N#Cc1nccnc1N1C[C@H]2[C@H](NC(=O)c3c[nH]c(=O)cn3)[C@H]2C1 1056388081 AVISKYKFLSGPKE-WOFXILAISA-N 323.316 -0.704 30 20 DBED C=CCO[C@H](C)C(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)C(N)=O 1056449616 NWSMZWHTCCMYFS-UTUOFQBUSA-N 309.366 -0.345 30 20 DBED C#CCO[C@H](C)C(=O)NCCN(CCO)C(=O)C(C)(F)F 1056786539 LWQUDRXDZWKAOD-SNVBAGLBSA-N 306.309 -0.383 30 20 DBED C#CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)c1ccoc1 1056965264 KCEUYJDFJJYQFF-LBPRGKRZSA-N 308.334 -0.131 30 20 DBED N#Cc1nccnc1N1CCCN(C(=O)[C@H]2COC(=O)N2)CC1 1057132737 ZTZHQWVPUDQHLL-LLVKDONJSA-N 316.321 -0.505 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)c1cnn(C)c1C 1057193341 FCVSPPIMBLIHHD-UHFFFAOYSA-N 324.381 -0.518 30 20 DBED O=C(C#CC1CC1)NCCN(CCO)C(=O)Cc1cc[nH]n1 1057256533 ITMPMLOVLFYNPR-UHFFFAOYSA-N 304.350 -0.697 30 20 DBED CC[C@H](C(=O)NCCN(CCO)C(=O)C#CC(C)C)N(C)C 1057517642 ZMEBNYABJIXIJH-CQSZACIVSA-N 311.426 -0.077 30 20 DBED C=CCCn1cc(C(=O)N(CCO)CCNC(=O)CC)nn1 1057712114 ZUVIRHPVEQAUJE-UHFFFAOYSA-N 309.370 -0.185 30 20 DBED N#Cc1nccnc1N[C@H]1CCCN(C(=O)[C@@H]2CCNC2=O)C1 1057725170 VEPHYWXUDAFCEW-WDEREUQCSA-N 314.349 -0.113 30 20 DBED Cc1nn[nH]c1C(=O)N1CCC[C@@H](N=c2cc[nH]c(C#N)n2)C1 1057730506 UACHVJMMRYZGQO-SNVBAGLBSA-N 312.337 -0.087 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCN(CCO)C(=O)c1ccncn1 1058501798 DNOWQSHEEGEACH-OAHLLOKOSA-N 322.365 -0.646 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)[C@@H]1CN2CCC1CC2 1058656962 NRFJALYZBXBHAC-GXTWGEPZSA-N 322.409 -0.575 30 20 DBED Cn1cncc1CC(=O)N1CC[C@H](N=c2cc[nH]c(C#N)n2)C1 1058929771 NSHKVRWDECUREW-NSHDSACASA-N 311.349 -0.241 30 20 DBED CNC(=O)CC(=O)N1CC2(CCN(C(=O)[C@H](C)C#N)CC2)C1 1060981570 IQGMVNFGDOIXKE-LLVKDONJSA-N 306.366 -0.267 30 20 DBED C=CCOCCCC(=O)N1CCOC[C@@H]1CNC(=O)COC 1061193871 XSKAMJITQNUCNA-ZDUSSCGKSA-N 314.382 -0.041 30 20 DBED N#Cc1cnc(N2CCC[C@@H]2CNC(=O)[C@@H]2COC(=O)N2)cn1 1061353900 TYZINXDUXMXTMB-MNOVXSKESA-N 316.321 -0.458 30 20 DBED C#CCOCCC(=O)NC[C@@H]1COCCN1C(=O)[C@@H](C)C#N 1061582135 ZJQPISGWGLJERW-QWHCGFSZSA-N 307.350 -0.470 30 20 DBED Cn1cc(C(=O)NC[C@@H]2CCN(c3nccnc3C#N)C2)nn1 1061582721 ILOLMQFVXBKAIZ-JTQLQIEISA-N 312.337 -0.267 30 20 DBED Cn1cc(C(=O)NC[C@H]2CCN(c3cncc(C#N)n3)C2)nn1 1061583705 ZHGNHYPTTAMULD-SNVBAGLBSA-N 312.337 -0.267 30 20 DBED CC(C)C#CC(=O)N1CCOC[C@H]1CNC(=O)Cn1ccnc1 1061682522 MFJLYVWWTPMAOZ-CQSZACIVSA-N 318.377 -0.114 30 20 DBED NC(=O)CCCC(=O)NC[C@H]1COCCN1C(=O)C#CC1CC1 1061684105 MAKLGVSUZGMQTG-ZDUSSCGKSA-N 321.377 -0.601 30 20 DBED Cc1[nH]nc(C(=O)N2CCOC[C@H]2CNC(=O)[C@H](C)C#N)c1O 1061848363 QBWISTXESOICBK-PSASIEDQSA-N 321.337 -0.459 30 20 DBED CCc1nc(C#N)cc(N2CCCC[C@@H](NC(=O)C(N)=O)C2)n1 1063226926 VIFPRMXJIOWRKO-SNVBAGLBSA-N 316.365 -0.129 30 20 DBED N#Cc1nccc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)c2cncnc2O)n1 1064309652 PRCLIDTXXKENFA-DVYJOKAKSA-N 323.316 -0.149 30 20 DBED Cc1nn[nH]c1C(=O)N[C@@H]1[C@H]2C[C@H]1N(c1cncc(C#N)n1)C2 1064324339 ILRKCRGSTPYLSI-IYYTYJHQSA-N 310.321 -0.218 30 20 DBED CC(C)C#CC(=O)N1CCO[C@@H](CNC(=O)[C@H]2COC(=O)N2)C1 1065128812 JPSPGOQFXDHTNJ-NWDGAFQWSA-N 323.349 -0.902 30 20 DBED C=CC(C)(C)C(=O)NC[C@@H]1CN(C(=O)Cc2nc[nH]n2)CCO1 1065642191 PYDPUQNFVZTXSE-LLVKDONJSA-N 321.381 -0.097 30 20 DBED N#Cc1nccc(N2CC[C@@H]3[C@@H]2CCCN3C(=O)CC(N)=O)n1 1066126331 FHEWZQRZTCLPPK-WDEREUQCSA-N 314.349 -0.207 30 20 DBED N#Cc1cncc(N2CCOC[C@@H]2CNC(=O)[C@@H]2CCOC2)n1 1066470088 KJPGKPLUNBCPQF-YPMHNXCESA-N 317.349 -0.294 30 20 DBED CCc1nc(C#N)cc(N[C@H]2CN(C(=O)C(N)=O)C[C@@H]2C)n1 1067190532 AUXORSSPIGKWIH-WPRPVWTQSA-N 302.338 -0.345 30 20 DBED C=CCCC(=O)N[C@H]1COC2(C1)CN(C(=O)C(C)(C)C(N)=O)C2 1068756370 BKXZUXLQVZIBNL-LLVKDONJSA-N 323.393 -0.050 30 20 DBED C#CCCCC(=O)N[C@H]1COC2(C1)CN(C(=O)CNC(C)=O)C2 1068833493 OMUMUAFXDUYODM-CYBMUJFWSA-N 321.377 -0.588 30 20 DBED C=CC(C)(C)C(=O)N[C@H]1COC2(C1)CN(C(=O)CNC(C)=O)C2 1068945328 QXPGAAHERNMPTF-GFCCVEGCSA-N 323.393 -0.179 30 20 DBED CC#CCCCC(=O)N[C@@H]1COC2(C1)CN(C(=O)CC(N)=O)C2 1068970038 FKYVFLBCOYTZRZ-LBPRGKRZSA-N 321.377 -0.459 30 20 DBED CCC1(NC(=O)CNC(N)=O)CCN(C(=O)[C@@H](C)C#N)CC1 1069582430 FXJXRHZRHBRMJR-JTQLQIEISA-N 309.370 -0.298 30 20 DBED Cc1cc(C(=O)N2C[C@H](n3ccnn3)[C@H](NCC#N)C2)n(C)n1 1070152176 ORIRILVTCFGJJO-YPMHNXCESA-N 314.353 -0.501 30 20 DBED N#CCN[C@@H]1CN(C(=O)C2=COCCC2)C[C@@H]1n1ccnn1 1070155918 IWRMZOGILMXPPX-OLZOCXBDSA-N 302.338 -0.163 30 20 DBED C=CCN[C@@H]1CN(C(=O)[C@@H]2CCC(=O)NC2)C[C@@H]1n1ccnn1 1070224132 OVMFGTOWCHYILX-UPJWGTAASA-N 318.381 -0.668 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC[C@@H](NC(=O)CC(=O)N(C)C)C1 1070732101 VYAANQJWRGGGQF-CHWSQXEVSA-N 323.393 -0.390 30 20 DBED Cn1cc(C(=O)N2C[C@H]3C[C@@H]4CN(CC#N)C[C@]3(C2)O4)nc1O 1070850109 FFJWCSMHQIDTHK-UEKVPHQBSA-N 317.349 -0.435 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)[C@@]4(C)CCNC4=O)C[C@@]3(C1)O2 1070853520 GSMOGIQMSYUQIX-UWWPHRKUSA-N 317.389 -0.553 30 20 DBED C=CCOCC(=O)N1C[C@@H](C)[C@@H](NC(=O)c2ccc(O)nn2)C1 1071809769 YLFRAXPCEQPSMG-PWSUYJOCSA-N 320.349 -0.039 30 20 DBED CCNC(=O)CC(=O)N[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1C 1072048995 PZAYRIKXIMYOMS-AAEUAGOBSA-N 305.378 -0.111 30 20 DBED N#Cc1ccc(C(=O)NC[C@H]2CN(CC(N)=O)CCCO2)[nH]1 1073574498 UECLBKZKJYWQHC-NSHDSACASA-N 305.338 -0.808 30 20 DBED O=C(NCC1(O)CCN(C(=O)C#CC2CC2)CC1)c1cnn[nH]1 1074582070 GJPVFWARQYYHQN-UHFFFAOYSA-N 317.349 -0.699 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC[C@H](C)NC(=O)c1nnn(C)n1 1076302048 SYKPGRVPIRLFFY-TVQRCGJNSA-N 310.358 -0.838 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H](C)CCNC(=O)c1cnnn1CC 1076385974 XBZJZYMWFDXXSQ-RYUDHWBXSA-N 321.381 -0.039 30 20 DBED C=CCCOCC(=O)NCC[C@H](C)NC(=O)CCNC(N)=O 1077063866 GWMREZWKCPMDRM-NSHDSACASA-N 314.386 -0.352 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)c2cnc3[nH]nnc3c2)C1 1077144405 FMUYRJPVERJVFT-VXGBXAGGSA-N 300.322 -0.849 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)c2c(OC)ncnc2OC)C1 1078281254 WFRGRMYZWPXKDC-NXEZZACHSA-N 308.338 -0.545 30 20 DBED CCN(C(=O)Cn1cnnc1O)C1CN(C(=O)C#CC(C)C)C1 1079648768 ITJLJPNAYBZXCL-UHFFFAOYSA-N 319.365 -0.298 30 20 DBED C=C[C@@](C)(O)CC(=O)N(CC)C1CN(C(=O)CNC(N)=O)C1 1079684973 VTZBVAHPYHQLJH-CQSZACIVSA-N 312.370 -0.959 30 20 DBED C#CCNC(=O)CC(=O)N1CC(N(CC)C(=O)c2ncc[nH]2)C1 1079723316 RORRITYYVCTUQI-UHFFFAOYSA-N 317.349 -0.778 30 20 DBED C=C(C)CCN1C[C@@H](NC(=O)Cn2ncn(C)c2=O)[C@H](C)C1 1079997807 URNYCJDYZIQWMK-CHWSQXEVSA-N 307.398 -0.016 30 20 DBED CNC(=O)NCC(=O)N1CCCC[C@H]1CNC(=O)C#CC1CC1 1082121177 INFMCAWCEFAIST-ZDUSSCGKSA-N 320.393 -0.174 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)C1CCN(C(N)=O)CC1 1082363325 YJWAXVYDRJXIDQ-VXGBXAGGSA-N 309.370 -0.884 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)C[C@H]1CCC(=O)NC1 1083104242 XLWYMFQLUFEQOA-FRRDWIJNSA-N 306.366 -0.662 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1c[nH]c(C(N)=O)c1 1083276410 BYBVUJBDOZROGE-NWDGAFQWSA-N 303.322 -0.838 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CCC(=O)N(C)C1 1083285288 LPFAHLZZTTUOLR-QLFBSQMISA-N 319.405 -0.210 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)c2cnc3c(c2)NC(=O)CO3)C1 1083608688 JWFQJEOUMBEQCH-NEPJUHHUSA-N 318.333 -0.627 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCc3nnn(C)c3C2)C1 1083730636 KAWHVZYSLLBQCA-LNSITVRQSA-N 319.409 -0.343 30 20 DBED CC#CCN1CC[C@@H]2CN(C(=O)[C@H]3COCCN3C(C)=O)[C@@H]2C1 1084841590 BYNNRCOMBLDTDB-BZUAXINKSA-N 319.405 -0.210 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2ccnc3ccnn23)[C@H](O)C1 1090324546 XFRLBOBQSFTQIZ-GXTWGEPZSA-N 313.361 -0.082 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2cnc(O)cc2OC)[C@@H](O)C1 1090578825 YYGMXRHAJVVLMY-OLZOCXBDSA-N 319.361 -0.016 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCN(CC#CC)C[C@H]2O)nn1 1090632063 BUAUKIRIHPWQRA-TZMCWYRMSA-N 303.366 -0.348 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)CN2CCC(=O)NC2=O)[C@H](O)C1 1090709771 QKPWFNISUOHWOS-VXGBXAGGSA-N 324.381 -0.944 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)c2cn(C)c(=O)n2C)[C@H](O)C1 1090834666 YKQNOLUVEXQEFJ-WCQYABFASA-N 308.382 -0.535 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1C[C@@H](CNC(=O)C2(C(N)=O)CC2)C1 1091395747 UPGRHQDAZLJEMI-KLPPZKSPSA-N 313.361 -0.053 30 20 DBED C[C@H](NC(N)=O)C(=O)NC1[C@@H]2CN(c3ncccc3C#N)C[C@@H]12 1093258123 IHERYSDINQWWAZ-JMJZKYOTSA-N 314.349 -0.439 30 20 DBED N#Cc1ccc(N2C[C@H]3[C@H](NC(=O)CCn4ccnn4)[C@H]3C2)nn1 1093260160 GQWRZIHNDKHULD-JYAVWHMHSA-N 324.348 -0.419 30 20 DBED C[C@@H](CC(N)=O)C(=O)N[C@H]1[C@@H]2CN(c3ccc(C#N)nn3)C[C@@H]21 1093329965 ANBTXHPWZOMKIG-HJUHTLPRSA-N 314.349 -0.589 30 20 DBED C[C@H]1C[C@H]1C(=O)NCCC(=O)NCCN=c1cc[nH]c(C#N)n1 1094192783 BCZGIIBWGNYOTI-WDEREUQCSA-N 316.365 -0.539 30 20 DBED CNC(=O)NCC(=O)NCCNc1ccc(C#N)cc1[N+](=O)[O-] 1094203930 BRUNYPGEVAXFBH-UHFFFAOYSA-N 320.309 -0.076 30 20 DBED CC#CCN1CC(n2cc(CNC(=O)c3cnn(C)c3)nn2)C1 1094272649 BGRMCSYJGVVYRO-UHFFFAOYSA-N 313.365 -0.178 30 20 DBED N#Cc1nc(=NCCCNC(=O)[C@@H]2CCCS2(=O)=O)cc[nH]1 1094445638 KSUHFYWUQAVSQK-JTQLQIEISA-N 323.378 -0.734 30 20 DBED CC#CCN1CC(N2C[C@@H](NC(=O)c3ccnnc3)CC2=O)C1 1094787925 KMTBFLAWSPVMAT-ZDUSSCGKSA-N 313.361 -0.485 30 20 DBED C[C@]1(C(=O)N[C@@H]2CC(=O)N(C3CN(CC#N)C3)C2)CCOC1 1094802234 SYKRWDZHWHRAPT-ABAIWWIYSA-N 306.366 -0.662 30 20 DBED CNC(=O)NCC(=O)N1CCCN(c2ccc(C#N)cn2)CC1 1095208745 QXCJDSVDKZZISM-UHFFFAOYSA-N 316.365 -0.079 30 20 DBED CNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1ccc(C#N)[nH]1 1095327326 HJODDNFEGQPLNX-WXHSDQCUSA-N 301.350 -0.033 30 20 DBED CN(CCCNC(=O)[C@H]1CCC(=O)N1)c1nccnc1C#N 1095493445 AMPCZNHLIBFHSB-SNVBAGLBSA-N 302.338 -0.431 30 20 DBED CN(CCCNC(=O)Cn1ncnn1)c1ncccc1C#N 1095645438 SVIQABRVRYLHEA-UHFFFAOYSA-N 300.326 -0.418 30 20 DBED N#Cc1nccc(N2CCC[C@H](NC(=O)C3(C(N)=O)CC3)C2)n1 1096229348 SJVJAVRLJRTOMD-JTQLQIEISA-N 314.349 -0.301 30 20 DBED N#Cc1cnc(NC[C@H]2CCCN(C(=O)CNC(N)=O)C2)cn1 1097355861 YMDUJCPGAWHKGB-SNVBAGLBSA-N 317.353 -0.333 30 20 DBED C[C@H](CNC(=O)[C@H]1CCS(=O)(=O)C1)Nc1ccc(C#N)nn1 1098136434 HDIBEYSYJRMHTM-ZJUUUORDSA-N 323.378 -0.300 30 20 DBED Cc1cc(=N[C@@H](C)CNC(=O)[C@@H]2CNC(=O)N2)c(C#N)c[nH]1 1098251709 YMGAOBSATIVMOC-CABZTGNLSA-N 302.338 -0.718 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)Nc1ccc(C#N)cn1 1098305207 SJFXXONGTWQFIT-WPRPVWTQSA-N 316.321 -0.532 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2ccccn2)[C@@H](O)C1 1099617981 MVFBDMUBXGMPHV-HIFRSBDPSA-N 303.362 -0.104 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CCCNC(=O)C2CC2)[C@H](O)C1 1099858940 UDPFAYNETBAFMG-HUUCEWRRSA-N 321.421 -0.133 30 20 DBED N#CCNC(=O)CN1CC[C@H](NC(=O)C2CC3(CC3)C2)[C@@H](O)C1 1100000602 IASYRWQTUNVWHI-STQMWFEESA-N 320.393 -0.632 30 20 DBED C=CCN1CC[C@H](NC(=O)C(C)(C)NS(C)(=O)=O)[C@H](O)C1 1100026688 GIFYGKNGCOUOTR-WDEREUQCSA-N 319.427 -0.948 30 20 DBED CC(=O)N[C@H](C)C(=O)NC[C@@H]1CCCN1c1ccc(C#N)nn1 1100776667 NVNGFGHPQTYYNK-MFKMUULPSA-N 316.365 -0.042 30 20 DBED C=CCO[C@@H](C)C(=O)NCC1CC(NCc2nnnn2C)C1 1101057326 LLILSMXCAGUYIN-UNXYVOJBSA-N 308.386 -0.214 30 20 DBED N#Cc1ccc(N(CCNC(=O)[C@@H]2CCNC2=O)C2CC2)nn1 1101419006 QOZWZFBFTKZQAD-GFCCVEGCSA-N 314.349 -0.431 30 20 DBED C#CCN1C[C@@H](C)[C@H](CNC(=O)[C@@H](C)N2C(=O)CCC2=O)C1 1102021825 ZASLCTIOASVOHP-JHJVBQTASA-N 305.378 -0.159 30 20 DBED C[C@H](CN=c1cc[nH]cc1C#N)CNC(=O)[C@@H]1CN(C)C(=O)N1 1104177614 ZZOJMNYWRLOMRP-MFKMUULPSA-N 316.365 -0.437 30 20 DBED COC[C@@H](C)C(=O)NC[C@H]1CN(c2ccc(C#N)nn2)CCO1 1104310194 PSZJMLZWHINMSL-YPMHNXCESA-N 319.365 -0.048 30 20 DBED Cc1ccc(C#N)c(N2CCO[C@@H](CNC(=O)C(N)=O)C2)n1 1104344625 DOJDPHUXWQICDV-NSHDSACASA-N 303.322 -0.932 30 20 DBED CC#CCNCc1cn(C2CN(C(=O)Cc3ncc[nH]3)C2)nn1 1105349895 SJCDOSJUDIVVCA-UHFFFAOYSA-N 313.365 -0.260 30 20 DBED C[C@H](NC(N)=O)C(=O)N1CCC(OC2CN(CC#N)C2)CC1 1105703980 NOKDFCDMWRSGII-JTQLQIEISA-N 309.370 -0.741 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](O)CNC(=O)C[C@@H]2CCOC2)n1 1105759413 LUNDKSLVTIVUIZ-AAEUAGOBSA-N 319.365 -0.028 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)Cn2ccnc2)nc1 1105882364 FVXILNWDEOPIPE-GFCCVEGCSA-N 300.322 -0.261 30 20 DBED CN(C)CCCCC(=O)NC[C@H](O)CN=c1cc[nH]cc1C#N 1105908244 LAKKHRMVGILQCM-CQSZACIVSA-N 319.409 -0.004 30 20 DBED N#Cc1cnc(NC[C@H](O)CNC(=O)CCc2cn[nH]c2)cn1 1106131852 LSFVIRXYPIAEBW-LBPRGKRZSA-N 315.337 -0.407 30 20 DBED C[C@@H](CCNc1ccc(C#N)nn1)NC(=O)[C@H]1COCCN1C 1106278253 SUNPNYHQALSHOU-WCQYABFASA-N 318.381 -0.014 30 20 DBED C[C@H](CCNc1cnc(C#N)cn1)NC(=O)Cn1cnnc1O 1106287105 DWXBGLRONJTAAO-SECBINFHSA-N 316.325 -0.348 30 20 DBED C[C@H](CCNc1nccnc1C#N)NC(=O)CCNC(N)=O 1106329006 VCQXXBYSCMCHPF-SECBINFHSA-N 305.342 -0.287 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)C[C@@H]2CCC(=O)N2)C[C@H]1C 1106755390 WMWDZSFGKXLKMV-KFWWJZLASA-N 321.421 -0.011 30 20 DBED C=CCNC(=O)CN1CCO[C@@](C)(CNC(=O)[C@@H](C)OC)C1 1107777155 ICGAEZCTWLJTCO-DOMZBBRYSA-N 313.398 -0.469 30 20 DBED CC1CC(C(=O)NC[C@]2(C)CN(CC(=O)NCC#N)CCO2)C1 1107859185 RALAAUURVBGIKF-SEEARECTSA-N 322.409 -0.121 30 20 DBED C[C@]1(CNC(=O)c2ccc3nn[nH]c3n2)CN(CC#N)CCO1 1107985478 LFTURQHLGMADOB-AWEZNQCLSA-N 315.337 -0.303 30 20 DBED CC(=O)N1CCC(C(=O)NC[C@]2(C)CN(CC#N)CCO2)CC1 1108388176 XVMMEKUHNGJVDJ-MRXNPFEDSA-N 322.409 -0.024 30 20 DBED C=CCN1CCO[C@](C)(CNC(=O)[C@H]2CCCS2(=O)=O)C1 1108410491 REFYLBNFVBQZHX-TZMCWYRMSA-N 316.423 -0.043 30 20 DBED CN(C)CCC(=O)NC[C@]1(O)CCN(c2ccc(C#N)nn2)C1 1111124466 LRWSXQXKNGNCGJ-OAHLLOKOSA-N 318.381 -0.643 30 20 DBED CC(=O)N(C)CC(=O)N1C[C@@H](NCC#N)[C@H](C(F)(F)F)C1 1112051805 KTXRRNZCPAUQBE-NXEZZACHSA-N 306.288 -0.033 30 20 DBED N#Cc1nccc(N2Cc3ccc(CNC(=O)C(N)=O)cc3C2)n1 1112276135 PDFQWFXAKMYPID-UHFFFAOYSA-N 322.328 -0.030 30 20 DBED COCCCC(=O)NC[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1O 1112704100 CBMVKDKEHTYFGP-VXGBXAGGSA-N 319.365 -0.312 30 20 DBED CCCC(=O)NCC(=O)N[C@H](C)[C@H](C)N=c1cc[nH]c(C#N)n1 1112920281 CPAARUNOBRPRIQ-WDEREUQCSA-N 318.381 -0.008 30 20 DBED CC(C)n1cnc(C(=O)N2CCN(CC(=O)NCC#N)CC2)c1 1113149174 BDRRZWBJBHKBAI-UHFFFAOYSA-N 318.381 -0.138 30 20 DBED C[C@@H](CNC(=O)[C@@H]1COC(=O)N1)N(C)c1cnc(C#N)cn1 1113591011 NSVMTYSILQPZGT-WPRPVWTQSA-N 304.310 -0.602 30 20 DBED C#CCCCC(=O)N[C@H]1[C@@H]2CN(Cc3nc(=O)n(C)[nH]3)C[C@@H]21 1114199411 UERHTHDTWKGERA-YABSGUDNSA-N 303.366 -0.542 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)CC3(O)CCC3)[C@H]2C1 1114249806 JJOKPFPINQLRAN-AVGNSLFASA-N 319.405 -0.524 30 20 DBED Cc1ccc(C#N)c(N2C[C@@H]3C(CNC(=O)CC(N)=O)[C@H]3C2)n1 1114547024 OLATYFCBOOQFCH-CHWSQXEVSA-N 313.361 -0.065 30 20 DBED N#CCN1C[C@H]2C(NC(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)[C@@H]2C1 1114593151 RGILTSUKYGUQKC-KKOKHZNYSA-N 306.366 -0.631 30 20 DBED C=CCCN1C[C@H]2[C@H](NC(=O)[C@@H](CCC(N)=O)NC(C)=O)[C@H]2C1 1114978320 SGXVABPBEVEMDA-COMQUAJESA-N 322.409 -0.621 30 20 DBED N#CCN1C[C@@H]2C(NC(=O)CNC(=O)NCc3ccco3)[C@H]2C1 1115288560 UVWNENZQYOIOOT-RYUDHWBXSA-N 317.349 -0.351 30 20 DBED CN(C(=O)c1nc[nH]n1)[C@@H](CN=c1cc[nH]c(C#N)n1)C1CC1 1115531789 YEFICMCZHBUOKN-JTQLQIEISA-N 312.337 -0.149 30 20 DBED CCOC(=O)[C@H](C)CNC(=O)C(=O)Nc1cnn(CC#N)c1 1116336424 AMVVTEBMGLUZJY-SECBINFHSA-N 307.310 -0.339 30 20 DBED C[C@@H]1CN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)C[C@H](C2CC2)O1 1118249689 QHXMQKVAHIIQLJ-KFNAQCHYSA-N 321.377 -0.111 30 20 DBED C#Cc1ccc(NC(=O)C(=O)N2CC(=O)N(CCOC)C2)cc1 1120976298 NXURKPIDOGKDHW-UHFFFAOYSA-N 315.329 -0.119 30 20 DBED Cc1cc(C(=O)NC[C@@H](CO)Nc2ccc(C#N)nn2)cnn1 1121359174 FSDSPOFXJMXOKF-LBPRGKRZSA-N 313.321 -0.351 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)C(=O)NCC2CC2)cn1 1121928884 QFKHIQVRNVZAJV-CYBMUJFWSA-N 317.349 -0.632 30 20 DBED CO[C@H](C(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1)C(C)C 1122445783 SVKGDKBURCIRJG-MFKMUULPSA-N 307.354 -0.670 30 20 DBED C=CCCO[C@@H](C)C(=O)NCCNCCN1C(=O)CNC1=O 1124495002 LNOIVFDXPIQNIR-NSHDSACASA-N 312.370 -0.775 30 20 DBED Cc1n[nH]cc1C(=O)N(C)C[C@@H](O)CNc1nccnc1C#N 1124627911 KWLAHSGEIIMSDG-JTQLQIEISA-N 315.337 -0.075 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)C[C@@](C)(O)C=C 1126366460 VVXIFIILZDPFGQ-AWEZNQCLSA-N 312.370 -0.969 30 20 DBED C#CCO[C@H](C)C(=O)NCCNCC(=O)NCC(F)(F)F 1127039163 DZMZJPLWDKJBME-SECBINFHSA-N 309.288 -0.591 30 20 DBED C#CCO[C@H](C)C(=O)NCCNCc1noc2c1COCC2 1127052263 SVDZISQDJWRNHG-LLVKDONJSA-N 307.350 -0.009 30 20 DBED C=CCNCc1nnc2n1CC[C@@H](NC(=O)c1nc[nH]n1)CC2 1128054391 PPMJDCPHBAPEAP-JTQLQIEISA-N 316.369 -0.193 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)Cn1cc(C2CC2)nn1 1129352377 ZEPPGUBGHDOHRV-NSHDSACASA-N 320.397 -0.448 30 20 DBED C=C(C)CN[C@@H]1CN(C(=O)[C@H](C)NC(C)=O)C[C@@H]1n1ccnn1 1129547982 WFHJNZWDNMLNRF-YUTCNCBUSA-N 320.397 -0.280 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1ccn(CC(F)F)n1 1130008740 WBXRURIWCCMILJ-UHFFFAOYSA-N 314.296 -0.893 30 20 DBED COCC#CCNCCNC(=O)[C@@]12C[C@H]3C[C@@H](C(=O)N1)[C@H]2C3 1130584624 KJDQHLAUFKIFKH-VLXAULBPSA-N 305.378 -0.743 30 20 DBED CO[C@H](C)C(=O)NCc1nc([C@H]2CC[C@@H](CNCC#N)O2)n[nH]1 1130765385 PUENTIOVKSEVGQ-OUAUKWLOSA-N 322.369 -0.211 30 20 DBED COCC#CCN1C[C@@H]2OC(=O)N([C@@H]3CCN(C(C)=O)C3)[C@@H]2C1 1131294368 IMBMUGSFJHPRPA-KFWWJZLASA-N 321.377 -0.238 30 20 DBED C#CCN1C[C@H](NC(=O)CCS(=O)(=O)NC)CC[C@@H]1C 1132038152 PKDLYESURPDFNF-NWDGAFQWSA-N 301.412 -0.472 30 20 DBED C#CCNC[C@@H]1CN(C(=O)CCNC(=O)COC)CC[C@@H]1C 1132875164 UIWXRTKHUNAMHY-UONOGXRCSA-N 309.410 -0.154 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1ccc2ncn(C)c2n1 1133803862 IRTPTMNNBWSIEN-UHFFFAOYSA-N 316.365 -0.410 30 20 DBED CNC(=O)NCCC(=O)N[C@H](C)C[C@@H](C)NCC#CCOC 1134269209 FJQWLUHDMLKUJX-CHWSQXEVSA-N 312.414 -0.172 30 20 DBED C#CCOCCC(=O)N[C@H](C)C[C@H](C)NCc1nc(=O)n(C)[nH]1 1134376858 UFHCIZOYXOCSFB-NWDGAFQWSA-N 323.397 -0.479 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1cn(CC)nc1C 1134507826 IQJWXLARAJSWNU-GFCCVEGCSA-N 305.382 -0.331 30 20 DBED C=CCNC(=O)CNCCNC(=O)C(C)(C)NC(=O)NCC 1134696871 PDPUKCICEUOBQR-UHFFFAOYSA-N 313.402 -0.908 30 20 DBED Cc1ccnn1CC(=O)N[C@H](C)C[C@@H](C)NCC(=O)NCC#N 1135575179 BSLMVFXPFXNPNS-VXGBXAGGSA-N 320.397 -0.296 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)c1nocc1C 1146834466 VIOGZRMYBQGGBI-UHFFFAOYSA-N 309.326 -0.686 30 20 DBED C=CCNC(=O)CN1CCC2(C1)CN(C(=O)c1cnsn1)C2 1147057030 UMUPYOZTDLBJPK-UHFFFAOYSA-N 321.406 -0.012 30 20 DBED CC(C)(F)C(=O)NC[C@H]1CN(CC(=O)NCC#N)CCCO1 1149026266 BRTXXHXWUWXISN-NSHDSACASA-N 314.361 -0.419 30 20 DBED C#CCCN1CCCO[C@@H](CNC(=O)CN2CCCC2=O)C1 1149159389 HGIIAWBRDLAQKS-AWEZNQCLSA-N 307.394 -0.161 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(Cc2nnn(C)n2)CCCO1 1149673039 KJTACZSMGJILME-CYBMUJFWSA-N 320.397 -0.423 30 20 DBED CN(C)c1ccc(C(=O)NCCNCC(=O)NCC#N)nc1 1152809963 ZJFYDMFSAXLHKC-UHFFFAOYSA-N 304.354 -0.893 30 20 DBED C=CCNC(=O)NC(=O)CNCCCNC(=O)c1ncoc1C 1155329078 KAVUTUPFXPFCHI-UHFFFAOYSA-N 323.353 -0.296 30 20 DBED C#CCN1CCC(CNC(=O)C(=O)NCC2CC2)(COC)CC1 1162553249 JNOBPCKIUOKVFN-UHFFFAOYSA-N 321.421 -0.009 30 20 DBED CC#CCCCC(=O)NCCCNCCN1C(=O)CNC1=O 1164251239 GYPYPFCARVAPDL-UHFFFAOYSA-N 308.382 -0.172 30 20 DBED CC(C)NC(=O)CN(C)CC(=O)NCCC1(CNCC#N)CC1 1165976372 QOHHOZAPRUPMMQ-UHFFFAOYSA-N 323.441 -0.158 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)c1cn(CC)nn1 1169577551 FDEPZNSYWVUJKE-NSHDSACASA-N 306.370 -0.855 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)CCCCC(N)=O 1170634079 COUICLHMOHTHLI-LBPRGKRZSA-N 310.398 -0.734 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)Cn1ccnc1C 1176147109 JAXPZRPZCBZEAB-LBPRGKRZSA-N 305.382 -0.575 30 20 DBED C#CCNC(=O)CN1CCO[C@@H]2CCN(C(=O)C(C)C)C[C@@H]21 1176912891 ODZNNXLDAXVFKC-UONOGXRCSA-N 307.394 -0.307 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](NCc2ncnn2C)[C@@H]1C 1178508592 KTGBUXJELJBAMI-RYUDHWBXSA-N 318.381 -0.966 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)c2cnn3c2CCC3)C1 1183095090 YZSXXFUDBZIUQX-GFCCVEGCSA-N 317.393 -0.064 30 20 DBED Cc1ccnn1CC(=O)N1CC[C@@H](NCC(=O)NCC#N)C1 1185976986 JCRHCRMABTZTDM-GFCCVEGCSA-N 304.354 -0.978 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)COC2CCOCC2)C1 1186010619 GPAQZJAZYIMWAA-CYBMUJFWSA-N 323.393 -0.878 30 20 DBED C=CCN1CC[C@H](N[C@@H]2CCN(C(=O)CCNC(N)=O)C2)C1=O 1187704860 ZMTCSWCFWSMPCX-NEPJUHHUSA-N 323.397 -0.978 30 20 DBED C#CCOCCC(=O)N1CC[C@H]2CN([C@@H]3CCN(C)C3=O)C[C@H]21 1187873691 DABGIXWVKGQWOZ-RRFJBIMHSA-N 319.405 -0.210 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@@H](N(C)CC(=O)NC2CC2)C1 1190093742 ANGCZUPJSRCRIO-GXTWGEPZSA-N 307.394 -0.164 30 20 DBED COc1nccc(CN2C[C@@H](O)[C@H](NC(=O)C#CC(C)C)C2)n1 1192752492 ZDEBLNLKBRJHLJ-ZIAGYGMSSA-N 318.377 -0.194 30 20 DBED C#CCCN(C)[C@H]1CCN(C(=O)CN2CC(=O)N(C)C2=O)C1 1193442396 NXVWZOCJSHOULQ-LBPRGKRZSA-N 306.366 -0.564 30 20 DBED Cc1nn(C)c(C)c1CCC(=O)N[C@@H]1CN(CC#N)C[C@H]1O 1195109517 DGACDEZRCVRNEL-ZIAGYGMSSA-N 305.382 -0.346 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCCN(C(=O)COCC=C)CC1 1195284165 QEAKDFWVKHWOOP-CQSZACIVSA-N 307.394 -0.139 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)COc2cnn(C)c2)C1 1195647417 JMXCTBFKAUHLRD-VXGBXAGGSA-N 314.773 -0.287 30 20 DBED C=CCC1(C(=O)N[C@@H]2CN(CCCO)C[C@H]2O)CCOCC1 1198239704 RDNPEQMPLDEEHO-ZIAGYGMSSA-N 312.410 -0.097 30 20 DBED CNC(=O)CN1C[C@@H](O)[C@H](NC(=O)CC#Cc2ccccc2)C1 1198939714 DGOYAEGHDYTXAJ-HUUCEWRRSA-N 315.373 -0.665 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(Cc2cc(C)n(C)n2)C[C@H]1O 1199292031 ACQUWWHYLJZSKD-HUUCEWRRSA-N 322.409 -0.017 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2cn(C)nc2C)C[C@H]1O 1199314121 PGBZYQLQEHYYBW-BPLDGKMQSA-N 322.409 -0.019 30 20 DBED C#CCCNC[C@H]1CN(C(=O)[C@@H]2CN(C)C(=O)N2)CCCO1 1201155051 KKDJQFDJCUJGTL-STQMWFEESA-N 308.382 -0.760 30 20 DBED C=C(C)CNC[C@H]1CN(C(=O)CN2C(=O)CNC2=O)CCCO1 1202013929 OHYPIACDXOSKMT-LBPRGKRZSA-N 324.381 -0.679 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)CN2CCC[C@H]2C)CC1 1202495281 CFUCXQFEURDVEJ-CQSZACIVSA-N 320.437 -0.199 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)CN2CCCC2)CC1 1203705341 VEZCNFVXGRHBTL-UHFFFAOYSA-N 306.410 -0.588 30 20 DBED C#CCOCCC(=O)N1CCC(CNCC(=O)NCC#N)CC1 1205258735 JZTMWOHARTTZDU-UHFFFAOYSA-N 320.393 -0.506 30 20 DBED C#CCNCC1CCN(C(=O)[C@H]2COCCN2C(C)=O)CC1 1206937512 DZCQXCROXUYKHU-OAHLLOKOSA-N 307.394 -0.305 30 20 DBED COCC#CCN[C@@H]1CCCN(C(=O)[C@@H]2CN(C)C(=O)N2)C1 1208962585 OIRBLLMSEOUCNJ-OLZOCXBDSA-N 308.382 -0.760 30 20 DBED CO[C@@H]1CN(CC(=O)NC(C)C)C[C@H]1NC(=O)C#CC(C)C 1212233493 AWJSLBBXGZCYTC-ZIAGYGMSSA-N 309.410 -0.014 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(CC(=O)N2CCC2)C[C@H]1OC 1212261295 ZFHHAPKNNRKSCF-ZIAGYGMSSA-N 323.393 -0.926 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1 1213191776 GBSLONDWZJXXJH-FVCCEPFGSA-N 324.381 -0.862 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)c2nocc2C)[C@H](OC)C1 1213673809 LQGUIKRMHNAYIS-VXGBXAGGSA-N 322.365 -0.286 30 20 DBED Cc1[nH]nc(C(=O)N2C[C@@H](NCC(=O)NCC#N)[C@H](C)C2)c1C 1214366767 NDUMRDPBDHXGLW-BXKDBHETSA-N 318.381 -0.284 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@@H](NCc2nncn2C)[C@H](C)C1 1214602809 YFUHBKNHTZVGCU-FRRDWIJNSA-N 305.382 -0.210 30 20 DBED C[C@@H]1CN(C(=O)CNC(=O)C2CCOCC2)C[C@H]1NCC#N 1215981999 LMMRREFHDAFLGY-DGCLKSJQSA-N 308.382 -0.511 30 20 DBED Cc1nc([C@H](C)N2C[C@H](O)[C@H](NC(=O)CSCC#N)C2)n[nH]1 1219218119 KFNQZBDXHVRKTH-GDPRMGEGSA-N 324.410 -0.408 30 20 DBED C#CCCCC(=O)N[C@@H]1CN([C@@H](C)C(=O)NCCC)C[C@@H]1O 1219523865 QMCDQFFYYWXNJW-MJBXVCDLSA-N 309.410 -0.134 30 20 DBED COCc1noc(CN2C[C@H](O)[C@H](NC(=O)C#CC(C)C)C2)n1 1219581166 IPKKDNAIKNTBBX-NEPJUHHUSA-N 322.365 -0.463 30 20 DBED C=CCCCC(=O)N[C@@H]1CN(CCNS(C)(=O)=O)C[C@@H]1O 1220247510 FUDHJPOIOHFEQT-NEPJUHHUSA-N 319.427 -0.947 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@@H](CCCC)NC(N)=O)C1 1221159531 PXZHGHCRLNNCIB-UPJWGTAASA-N 310.398 -0.602 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)Cc2ncc[nH]2)CC1 1229723326 NQTFTTFCOHCAMI-UHFFFAOYSA-N 305.382 -0.165 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C[C@@H](O)COC 1235453894 HUOLHMNRGNGFAK-XHSDSOJGSA-N 323.437 -0.376 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)[C@H]1OCCO[C@H]1C 1235469512 GBZBIHPTXVTJBU-GUTXKFCHSA-N 323.393 -0.928 30 20 DBED CCN1CCC(NC(=O)C(=O)N2CC[C@](O)(CC#N)C2)CC1 1261462572 VPGGIJBIJMLYKW-OAHLLOKOSA-N 308.382 -0.536 30 20 DBED C#CCOCCC(=O)OCC(=O)NC1CCN(C(C)=O)CC1 1319598997 FWVQTOUWAVXDTD-UHFFFAOYSA-N 310.350 -0.303 30 20 DBED C#CCOCCNC(=O)C(=O)NC[C@@H](C)Cn1ccnc1C 1322316298 QBBMRMIDJXFSEN-GFCCVEGCSA-N 306.366 -0.290 30 20 DBED C=C(C)COCCNC(=O)C(=O)N[C@@H](C)CN1CCOCC1 1323128498 FQIYCYITYMZDBJ-ZDUSSCGKSA-N 313.398 -0.468 30 20 DBED C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)C(=O)N1CC[C@](O)(CC#N)C1 1326227482 NLPKVUAMRMZQAT-DVOMOZLQSA-N 322.409 -0.338 30 20 DBED C[C@H](CCO)N(C)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1328644465 ZQGHSTBTZVOWNE-LRZCVGBLSA-N 310.354 -0.075 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)NC[C@@H]1CC1(C)C 1328844186 PFOALSOZBHFMOR-JTQLQIEISA-N 302.396 -0.134 30 20 DBED CO[C@@H]1CCC[C@H]1CNC(=O)C(=O)N1CC[C@](O)(CC#N)C1 1329328773 FXUAEJBFVWVUQL-YWPYICTPSA-N 309.366 -0.205 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)N[C@H]2CC[C@H](O)CC2)CCN1C1CC1 1331445477 VSDAOTITNNBYFK-UBHSHLNASA-N 320.393 -0.395 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)N2CCCC[C@H]2CN)CCN1C1CC1 1336948661 UIWGEGFNSPLNNS-KBPBESRZSA-N 319.409 -0.475 30 20 DBED COCCOCCCNC(=O)C(=O)N1CC[C@@](F)(C#N)C1 1340265354 NEVZFCCSLRGHSE-CYBMUJFWSA-N 301.318 -0.380 30 20 DBED C=CCn1c(-c2cncc(CO)c2)nnc1N1CCNC(=O)C1 1340457509 SPMUVVHMRASDKD-UHFFFAOYSA-N 314.349 -0.045 30 20 DBED C#CCN1CCN(c2nnc([C@@H]3CC(=O)N(C)C3)n2CC)CC1 1343077738 YAGDIVZBBXVOMQ-CYBMUJFWSA-N 316.409 -0.001 30 20 DBED Cn1ncc(C2CC2)c1CNC(=O)C(=O)N1CCO[C@H](C#N)C1 1350205273 PCGJSJBHGQHPEW-LLVKDONJSA-N 317.349 -0.335 30 20 DBED C=C(C)COCCNC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1352343243 ACPMSXSWLGQJTA-AWEZNQCLSA-N 320.393 -0.106 30 20 DBED CC(=O)NC[C@H]1CN(C(=O)CNc2ccc(C#N)cn2)CCO1 1361900528 JQQJPVMTKVILHN-ZDUSSCGKSA-N 317.349 -0.271 30 20 DBED N#Cc1cccc(S(=O)(=O)NCC(=O)NC[C@H]2C[C@H](O)C2)c1 1363721231 OZXFRFOHIRWZBB-HAQNSBGRSA-N 323.374 -0.276 30 20 DBED Cn1c(=O)[nH]c(NCC(C)(C)S(C)(=O)=O)c(C#N)c1=O 1364191020 JOPBITYIZBYMRY-UHFFFAOYSA-N 300.340 -0.820 30 20 DBED C[C@H](NC(N)=O)C(=O)NCCC1CCN(C(=O)[C@H](C)C#N)CC1 1375426791 ZVPGBABJXOZADV-MNOVXSKESA-N 323.397 -0.052 30 20 DBED C[C@@H](CNC(=O)CCn1cncn1)NC(=O)c1ccc(C#N)[nH]1 1389335393 UTQCLCXIPNGYOS-JTQLQIEISA-N 315.337 -0.197 30 20 DBED CC(C)c1nn(C)cc1C(=O)NC[C@H](O)CNC(=O)[C@H](C)C#N 1392099846 QLBFLZGWPFILTH-GHMZBOCLSA-N 321.381 -0.090 30 20 DBED C=C(Cl)CN[C@@H](C)[C@@H]1CN(C(=O)CNC(=O)NC)CCO1 1394331948 GDPKJDMHXOAOJK-QWRGUYRKSA-N 318.805 -0.127 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@@H](O)CNC[C@H]2CCCOC2)c1 1406223232 YOCPCWRZPZLUGT-YPMHNXCESA-N 306.366 -0.007 30 20 DBED CC(=O)N[C@H](C)C(=O)NCCN(C)C(=O)c1c[nH]c(C#N)c1 1408517608 OETHBYVUCGCLAU-SECBINFHSA-N 305.338 -0.401 30 20 DBED COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1ccc(C#N)n1C 1417570962 JESPHZQVCRLFTC-IUCAKERBSA-N 306.322 -0.307 30 20 DBED C=C(Cl)CN1CC[C@H]1CNC(=O)CS(=O)(=O)CCOC 1420845175 VZGBHDKIQHAVQT-NSHDSACASA-N 324.830 -0.009 30 20 DBED C=C(Cl)CNC[C@@H](C)NC(=O)c1cn(C)c(=O)nc1O 1422616250 MPJWHTJBPLXGRY-MRVPVSSYSA-N 300.746 -0.054 30 20 DBED Cc1cc(C(=O)N(C)C[C@H](O)CNC(=O)[C@H](C)C#N)n(C)n1 1425772873 PMALJLMVLFIYIU-MWLCHTKSSA-N 307.354 -0.563 30 20 DBED C[C@H](C#N)C(=O)NC1CCN(C(=O)CCn2cnnn2)CC1 1429676427 LRFSYCLWCWQANL-SNVBAGLBSA-N 305.342 -0.670 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)CCc1ccnn1C 1431539584 MJBPEWMCVJOGQL-ZYHUDNBSSA-N 307.354 -0.894 30 20 DBED CN(CCNC(=O)[C@H]1CCCC(=O)N1C)c1nccnc1C#N 1436006429 WEYRJZDUUYRMCM-GFCCVEGCSA-N 316.365 -0.088 30 20 DBED N#Cc1ccc(CN2CC(O)(CNC(=O)c3cnn[nH]3)C2)s1 1440063171 QDSXMLAARCGSFA-UHFFFAOYSA-N 318.362 -0.285 30 20 DBED CC(=O)N1CCC(C(=O)N(C)CCNC(=O)[C@H](C)C#N)CC1 1449191259 RBXAGRVYYIDBNF-LLVKDONJSA-N 308.382 -0.021 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CCN(C(=O)CN2CCOCC2)C1 1495193325 GLDGIZJJZLLBSF-OLZOCXBDSA-N 308.382 -0.557 30 20 DBED C[C@H](C#N)C(=O)N(C)C[C@H]1CCN(C(=O)c2ncn(C)n2)C1 1497892187 AGSXRQRBEOHLHL-GHMZBOCLSA-N 304.354 -0.105 30 20 DBED C#CCNC(=O)CN1CCOC[C@H]1CNC(=O)[C@H]1CC1(C)C 1570062464 NRTLFUDBUOFQJR-CHWSQXEVSA-N 307.394 -0.401 30 20 DBED C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CCO[C@@H]2CN)n1 1574760426 YIYBLPOIBXUVSD-LSDHHAIUSA-N 320.393 -0.145 30 20 DBED C=CCCOCCNC(=O)C(=O)Nc1c(C(=O)O)cnn1C 1588810591 ZRIUXTGKLGHCBX-UHFFFAOYSA-N 310.310 -0.234 30 20 DBED N#CCCNC(=O)NCCNc1ccc(-c2nn[nH]n2)cn1 1592678455 XINKKKCYZPLFOV-UHFFFAOYSA-N 301.314 -0.114 30 20 DBED N#Cc1ncc(N2CCC(CO)(CO)CC2)nc1-c1nn[nH]n1 1592708431 QYTCTONQSNKQDG-UHFFFAOYSA-N 316.325 -0.900 30 20 DBED CON(C(=O)CCN/C(O)=C1\N=CC=CC1=O)[C@H](C)C(=O)O 1594037103 UBGPHAUKCOARSE-MDBUJETNSA-N 311.294 -0.234 30 20 DBED O=C(O)[C@H]1CS(=O)(=O)CCN1C(=O)C#Cc1ccccc1 1594960153 QOCUXSREVRAWBZ-GFCCVEGCSA-N 307.327 -0.252 30 20 DBED CCOC[C@@H](C(=O)O)N(C)S(=O)(=O)N(C)C[C@@H](C)C#N 1596885018 WHCSOAWCEISOBV-UWVGGRQHSA-N 307.372 -0.256 30 20 DBED CCS(=O)(=O)N[C@H](C)C(=O)N1CCC(C#N)(C(=O)O)CC1 1597224099 KNLYJCIHRMLMLK-SECBINFHSA-N 317.367 -0.469 30 20 DBED COC(=O)C1(C#N)CCN(C(=O)Cn2ccc(C(=O)O)n2)CC1 1598716675 QIFFQMRDXFVNIP-UHFFFAOYSA-N 320.305 -0.113 30 20 DBED COCC#CCN1C[C@H]2CN(C(=O)[C@H]3C[C@@H]3C(=O)O)C[C@H]2C1 1599139310 UMQJDGZSNRYHLB-CRWXNKLISA-N 306.362 -0.253 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)Nc2cccc(C(=O)O)n2)CCO1 1601060897 MBYZWMWDEQDNNX-QMMMGPOBSA-N 304.262 -0.531 30 20 DBED C#CCN(CC(=O)O)C(=O)c1ccc(S(=O)(=O)NC)nc1 1602692537 SQSHGPJFBXTOFY-UHFFFAOYSA-N 311.319 -0.850 30 20 DBED CC1(C)CN(C(=O)Cn2cnc(-c3nn[nH]n3)c2C#N)CCO1 1603779947 BSKSOEGHUFJRIA-UHFFFAOYSA-N 316.325 -0.428 30 20 DBED N#Cc1ncn(CCNC(=O)N2CCC[C@H](n3ccnn3)C2)n1 1647233931 KANLHNGMSFGRBQ-NSHDSACASA-N 315.341 -0.212 30 20 DBED C#CCCNC[C@H]1CCCN(C(=O)CN2CCNC(=O)C2)C1 1752805763 WYMQWGDWTVDGMY-CQSZACIVSA-N 306.410 -0.730 30 20 DBED C=CCNC(=O)CN[C@H](C)CNC(=O)c1ccc(C(N)=O)[nH]1 1752900393 IEJMWWRKUWSGMF-SECBINFHSA-N 307.354 -0.876 30 20 DBED C=CCN1CC[C@H](N(C)CCNC(=O)c2cnnn2C)C1=O 1753047909 UXPRLDWDLWYOFZ-NSHDSACASA-N 306.370 -0.736 30 20 DBED C#CCNC(=O)CNC[C@H](C)CNC(=O)c1cccn(C)c1=O 1753638715 WICKIEKTWFJWPR-LBPRGKRZSA-N 318.377 -0.910 30 20 DBED C[C@H]1CCCN(C(=O)CN(C)S(C)(=O)=O)[C@@H]1CNCC#N 1753820611 ZDAVXJDPTKURGB-NWDGAFQWSA-N 316.427 -0.382 30 20 DBED N#CCNC(=O)CNC[C@@H]1CCC[C@@H]1NC(=O)CC1(O)CCC1 1753884664 LFHBJUMSCLJGHM-STQMWFEESA-N 322.409 -0.194 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H](O)CNCc2nonc2C)nc1 1753934634 WWXNSLRYCCABOC-LBPRGKRZSA-N 315.333 -0.365 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@@H](C)NC(=O)CCc1ccnn1C 1754227707 MNZAREOVGVDWOK-CHWSQXEVSA-N 319.409 -0.415 30 20 DBED C=CCCCN1CC[C@](O)(CNC(=O)CCn2cnnn2)C1 1754758831 BUPZXTWGBUOKNU-AWEZNQCLSA-N 308.386 -0.418 30 20 DBED C#CCN1CCC[C@@](CO)(NC(=O)c2cn(CCC)nn2)C1 1754859493 YDHIHLWWDCXEHL-OAHLLOKOSA-N 305.382 -0.122 30 20 DBED C#CCNC(=O)CN(C)[C@H](C)CNC(=O)c1ccnc(OC)n1 1755307727 MFCPULAFZYUXCK-LLVKDONJSA-N 319.365 -0.715 30 20 DBED C[C@H](NCC#N)[C@H]1CN(C(=O)c2coc(C(N)=O)c2)CCO1 1755445248 QLUUEEPNMBGTQK-JOYOIKCWSA-N 306.322 -0.279 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H](C)CN(C)C(=O)Cc1[nH]cnc1C 1755614782 RHLSHIWNOUSXPO-YPMHNXCESA-N 319.409 -0.165 30 20 DBED C=CCCN[C@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)[C@@H]1C 1755666400 CQFSVZLRSNPCTJ-MNOVXSKESA-N 306.370 -0.468 30 20 DBED C#CCNC[C@@H]1CC[C@H](NC(=O)CS(=O)(=O)CCOC)C1 1755737300 HSFLLCZDTBFVIW-OLZOCXBDSA-N 316.423 -0.445 30 20 DBED C[C@@H](C#N)C(=O)N(C)C[C@H]1CCCN1C(=O)C1(C(N)=O)CC1 1755925565 MQDLOONSHYMWBN-WDEREUQCSA-N 306.366 -0.139 30 20 DBED C=CCCC(=O)N[C@H](C)[C@@H](C)NC(=O)CS(=O)(=O)NC 1755954577 NEGKBPNDGHMUBO-NXEZZACHSA-N 305.400 -0.489 30 20 DBED C=CC(C)(C)C(=O)N[C@@H](C)C1CN(C(=O)[C@@H]2CNC(=O)N2)C1 1756152036 HXQXOOFKJYZSEV-ONGXEEELSA-N 308.382 -0.157 30 20 DBED CC#CCCCC(=O)N1CCO[C@H]([C@H](C)NC(=O)CC(N)=O)C1 1756221034 SMNSYEIYJYSYGK-STQMWFEESA-N 323.393 -0.213 30 20 DBED C#CCCCCC(=O)NC[C@H]1CN(C(=O)C(N)=O)CCCO1 1756842074 NWNWJQJOFHWPHM-LBPRGKRZSA-N 309.366 -0.601 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@H](NC(=O)[C@@H](COC)OC)C1 1757209040 HVBSTSRYAYCZAN-GRYCIOLGSA-N 300.355 -0.698 30 20 DBED C#CCOCCC(=O)N1CC[C@H]1CN(C)C(=O)c1nc[nH]n1 1757300523 VHTKOFCBYYSWDT-NSHDSACASA-N 305.338 -0.483 30 20 DBED C=CCOCC(=O)N1CC[C@H](NC(=O)c2cn[nH]c2)[C@@H](O)C1 1757562035 LONJHJOPOPBMIZ-RYUDHWBXSA-N 308.338 -0.696 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@]1(C)CCCN1)CCO2 1783052605 CBKBSAPVJZIPNH-CVEARBPZSA-N 305.378 -0.408 30 20 DBED CCC(=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CC1)C2 1800476158 JJBTZLKJTBLCFT-PTEHBNRSSA-N 319.361 -0.141 30 20 DBED C=CCC(=O)N1CC[C@@H](CNC(=O)C(O)O)[C@H]1c1cccnc1 1802923531 ALLQWBIXDVGCDE-GXTWGEPZSA-N 319.361 -0.026 30 20 DBED N#CCOc1ccccc1C(=O)N1CCN(CC(N)=O)CC1 193867053 ZXAXTXBMVOHHKK-UHFFFAOYSA-N 302.334 -0.168 30 20 DBED C/N=C(/NCC(=O)N(C)C)N1CCN(C(=O)c2ccco2)CC1 262566095 LKOMNOSFJUDCIY-UHFFFAOYSA-N 321.381 -0.299 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(C)CC[C@@H](N)C(C)C)C1=O 262597283 LPRDTPVCMDGWFB-LLVKDONJSA-N 324.381 -0.205 30 20 DBED N#Cc1ccncc1N1CCN(CC(=O)N2CCOCC2)CC1 269990810 UUIPOJFOXGIAJK-UHFFFAOYSA-N 315.377 -0.066 30 20 DBED N#Cc1ccc2c(c1)N(C(=O)C(=O)NC[C@@]1(O)CCOC1)CC2 270171636 KDXHRZKTCLMLDQ-INIZCTEOSA-N 315.329 -0.285 30 20 DBED CN1C(=O)C(=O)N(CC(=O)N(CCC#N)Cc2ccco2)C1=O 298302307 RKFJAZDRGPWXCZ-UHFFFAOYSA-N 318.289 -0.058 30 20 DBED N#Cc1cncc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)c1 311929562 GCWXTCLNTSZLSU-SECBINFHSA-N 301.349 -0.581 30 20 DBED N#Cc1ncccc1S(=O)(=O)N1CC[C@@H](N2CCNCC2)C1 318839907 GLGWVINCSQTWHO-GFCCVEGCSA-N 321.406 -0.379 30 20 DBED O=C(C/N=C(/O)c1cccnc1)N1CCN2C(O)=NC[C@H]2C1 330148570 JNHSMTVMFGJQDH-NSHDSACASA-N 303.322 -0.173 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)NC[C@H](C)N1CCOCC1 330382856 XPTTUZVOKUYGAH-NEPJUHHUSA-N 304.416 -0.367 30 20 DBED CC(C)COC[C@H](O)CNS(=O)(=O)N(C)C[C@@H](C)C#N 337088645 HNNQQRCHWRDFFI-NWDGAFQWSA-N 307.416 -0.054 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N(CCOC)[C@H](C)C(N)=O 337089353 ILIVVUBTMWIXAK-WDEREUQCSA-N 320.415 -0.465 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@H](CO)[C@H]1CCOC1 337166049 ZFEUOJYYUWWZMQ-FRRDWIJNSA-N 319.427 -0.053 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)NC[C@H]1CN2CCN1CC2 337782267 UOCOAKMASRKZCQ-NEPJUHHUSA-N 301.416 -0.945 30 20 DBED N#Cc1ccc(S(=O)(=O)N2CCC[C@@H](S(N)(=O)=O)C2)o1 344716013 PVFYHRCTMORLJS-SECBINFHSA-N 319.364 -0.407 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)NC[C@@H](O)[C@@H]2CCOC2)cc1 347104005 OUIHIJNSSHZKBS-ZIAGYGMSSA-N 317.345 -0.198 30 20 DBED COC(=O)CCN1CC[C@H](NC(=O)N2CCO[C@H](C#N)C2)C1=O 347146951 CYSRRRYVPCJHTI-MNOVXSKESA-N 324.337 -0.916 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC[C@]2(C)CCOC2)C1=O 348025165 SZSXRLPBEPXGPF-WBMJQRKESA-N 323.393 -0.226 30 20 DBED CCN(CCCN(C)C)C(=O)C(=O)Nc1ccn(CCC#N)n1 348663526 UNXNOZCQIHFPJZ-UHFFFAOYSA-N 320.397 0.535 30 20 DBED CC[C@](C)(C#N)C(=O)N1CCN(CC(=O)NCCOC)CC1 348668645 ZMZFAEMNLVYTNK-OAHLLOKOSA-N 310.398 -0.167 30 20 DBED CCS(=O)(=O)N1CCN(S(=O)(=O)CC2(C#N)CC2)CC1 361512983 WYWGLERBMLJYND-UHFFFAOYSA-N 321.424 -0.413 30 20 DBED N#CCN1CCN(C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)CC1 365908692 PUBCMUMWDAHJHC-LLVKDONJSA-N 302.338 -0.570 30 20 DBED Cc1onc(N)c1S(=O)(=O)N1CCN(C2CC2)[C@@H](C#N)C1 377884964 QGRCKSFNDBMMAD-JTQLQIEISA-N 311.367 -0.074 30 20 DBED C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1C[C@@H]2CCNC[C@@H]2C1 424548888 QKIMCQAJIYVMRV-FQUUOJAGSA-N 307.394 -0.238 30 20 DBED C=C[C@@H](CO)NC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 426859269 OIYJSPPDGSKJAK-QMMMGPOBSA-N 315.307 -0.481 30 20 DBED C=C[C@@H]1OCCC[C@H]1NC(=O)CNS(=O)(=O)CCOCC 456266596 PXZBMHHCCLWFJU-NEPJUHHUSA-N 320.411 -0.208 30 20 DBED C=CCC[C@@H](NC(=O)CNS(=O)(=O)CC)C(=O)OCC 456636815 YOLRTNMITJYKIP-SNVBAGLBSA-N 306.384 -0.060 30 20 DBED C=CCNC(=O)CNS(=O)(=O)c1cccnc1[N+](=O)[O-] 538528410 HJVYFSVQLOKNAF-UHFFFAOYSA-N 300.296 -0.430 30 20 DBED N#Cc1ccc(F)c(CS(=O)(=O)N[C@@H](CO)C(=O)O)c1 547881840 NGTNBMDMTQIKSD-JTQLQIEISA-N 302.283 -0.438 30 20 DBED N#Cc1ccc(NCCCCn2cc(C(N)=O)nn2)nc1N 584665263 GETKULHYGYOYBO-UHFFFAOYSA-N 300.326 0.118 30 20 DBED C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(CCC#N)CC2)CCO1 602253795 XEMUZSDBAPAAEK-CHWSQXEVSA-N 308.382 -0.272 30 20 DBED C#Cc1ccc(C(=O)OCC(=O)N2CCN(C(C)=O)CC2)cn1 729031294 ZFPOXZIXLBGSQI-UHFFFAOYSA-N 315.329 -0.090 30 20 DBED Cn1cc(S(=O)(=O)NCCOC(=O)C2(C#N)CCC2)cn1 745064618 XSEYBTGZAKZFCY-UHFFFAOYSA-N 312.351 -0.065 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)c2ccnn2CC)CC1 775835843 BMGXOLGAVOGWMJ-UHFFFAOYSA-N 317.393 -0.200 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)OCCCC(=O)OC)C1=O 783142768 LDGOTEIKSLVLRY-UHFFFAOYSA-N 312.278 -0.540 30 20 DBED C#CCOCCNC(=O)C(=O)Nc1cccc(C(N)=O)c1OC 785155892 MHMYIGTYTYAJKH-UHFFFAOYSA-N 319.317 -0.501 30 20 DBED CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NOCC(N)=O 785385145 QSWIHDNOKLCLDZ-UHFFFAOYSA-N 320.305 -0.183 30 20 DBED CC#CCS(=O)(=O)NC(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 791110958 IKYHNHRZFFTZBW-BXKDBHETSA-N 316.404 -0.090 30 20 DBED COC(=O)COCC(=O)O[C@@H](C(N)=O)c1ccc(C#N)cc1 803805141 OWLXZJJSHVXIBT-CYBMUJFWSA-N 306.274 -0.183 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)C(=O)N1CCC[C@H](C)C1 805562021 MEZJHRUOAXEDFF-JTQLQIEISA-N 311.338 -0.200 30 20 DBED COc1ccc(S(N)(=O)=O)cc1C(=O)N[C@H]1CNC[C@@H]1C#N 834511201 JHRXZPPUDJNMEN-KWQFWETISA-N 324.362 -0.816 30 20 DBED C#CC[C@@H](NC(=O)CCN1C(=O)CCNC1=S)C(=O)OC 848220089 HHZSSQJQYBGEHI-SECBINFHSA-N 311.363 -0.836 30 20 DBED O=C(N[C@H]1CCCN(O)C1=O)c1cccc(-n2cncn2)n1 854648707 INEBYROKSCAPTH-JTQLQIEISA-N 302.294 -0.228 30 20 DBED C#CC[C@H](CO)NC(=O)CNS(=O)(=O)c1cccc(C#N)c1 857263320 QPIHRSJBLGOBNI-GFCCVEGCSA-N 321.358 -0.663 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NN2CCC[C@@H]2COC)C1=O 862600996 FPHVQRZRIASFIL-SNVBAGLBSA-N 324.337 -0.895 30 20 DBED C#CCN1CCC[C@H](NC(=O)N[C@@H](C)CS(C)(=O)=O)C1 884207206 OPARSANDEJABOO-RYUDHWBXSA-N 301.412 -0.184 30 20 DBED C#CCNS(=O)(=O)N1CCN(C[C@@](C)(CC)OC)CC1 895917101 BYBSEVNIEZTYSC-CYBMUJFWSA-N 303.428 -0.113 30 20 DBED C#CCN1CCN(C(=O)[C@H]2CC(c3cn(C)nc3C)=NO2)CC1 932710425 TXVRYXRMKPJCIV-OAHLLOKOSA-N 315.377 -0.001 30 20 DBED CO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1NC(=O)c1[nH]nnc1C 944346215 QFNJZMKKZHOVDO-SZEHBUNVSA-N 306.326 -0.772 30 20 DBED CO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1NC(=O)Cn1ccc(C)n1 946804441 MHZQGTDHVAGRIA-RAIGVLPGSA-N 319.365 -0.307 30 20 DBED CC#CCN1CCN(C(=O)c2coc(S(N)(=O)=O)c2)CC1 948929478 WUJKLNSCHSHUIC-UHFFFAOYSA-N 311.363 -0.292 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H](NC(=O)c2c[nH]c(C(N)=O)c2)C1 951872159 HRKARLWYBICVCT-KOLCDFICSA-N 317.349 -0.006 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H]1CNC(=O)c1cn(C)c(=O)n1C 956193023 RKPRGFJYJWGAHX-MNOVXSKESA-N 319.365 -0.396 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(C)(NC(=O)[C@H]2CCNC2=O)CC1 956444885 PMYDMVBGXGXHGL-QWRGUYRKSA-N 306.366 -0.221 30 20 DBED C=CCN1C[C@@H](O)[C@H](CNC(=O)c2nc3ncc(C)cn3n2)C1 958167483 MMAHRAYDXUZHSO-VXGBXAGGSA-N 316.365 -0.359 30 20 DBED C=CCN1C[C@H](CNC(=O)c2ccn(CCOC)n2)[C@@H](O)C1 958255236 WYQGCVCVFMTWAK-JSGCOSHPSA-N 308.382 -0.262 30 20 DBED C=CCN1C[C@@H](O)[C@@H](CNC(=O)c2ccc3nnnn3c2)C1 958257692 IVULPKCSDYCOMD-NWDGAFQWSA-N 302.338 -0.667 30 20 DBED C=C(C)CN1C[C@H](CNC(=O)c2cccn(C)c2=O)[C@@H](O)C1 958595633 STOXLQILKVHPDT-JSGCOSHPSA-N 305.378 -0.016 30 20 DBED C=CCN1C[C@@H](O)[C@@H](CNC(=O)C2CCN(C(N)=O)CC2)C1 958662418 SLYBURJZODHUNO-QWHCGFSZSA-N 310.398 -0.628 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H]2CN(C(=O)c3cccnn3)C[C@@H]21 960877181 HYBHLZBKXFEVDV-WCFLWFBJSA-N 315.333 -0.312 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1[C@@H]2CN(Cc3nc(O)n[nH]3)C[C@@H]12 961812042 DIQUATABRJIOOS-DBIOUOCHSA-N 319.365 -0.352 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CCC(=O)NC3)C[C@@H]2C1 961898218 AHTQIUCFTQLWGJ-LPWJVIDDSA-N 318.377 -0.411 30 20 DBED N#CCN1C[C@H]2C(NC(=O)c3cn(C[C@@H]4CCOC4)nn3)[C@@H]2C1 962176889 PWBLAVCAACJWRG-QJPTWQEYSA-N 316.365 -0.502 30 20 DBED CC(C)[C@@H](O)C(=O)N1CC(N2CCN(C(=O)[C@H](C)C#N)CC2)C1 967244659 NVCGETSHJOEFHC-TZMCWYRMSA-N 322.409 -0.482 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H](N(C)C(=O)c2nnn(C)n2)CC1 967631962 YGTUEDVFMOTYJN-QWRGUYRKSA-N 319.369 -0.177 30 20 DBED C#CCN1CC[C@@H](C)[C@H](NC(=O)c2cn(C)c(=O)nc2O)C1 968639187 FPHCDCIVGZECBP-ZYHUDNBSSA-N 304.350 -0.441 30 20 DBED CC#CCN1C[C@H]2CC[C@H]1CN2C(=O)CN1C(=O)CN(C)C1=O 972092625 KQIHYNJKNWAYGT-QWHCGFSZSA-N 318.377 -0.421 30 20 DBED C#CCCN1CCO[C@]2(CCN(C(=O)[C@H]3CN(C)C(=O)N3)C2)C1 972503562 GXONLRHGCCBGJV-CZUORRHYSA-N 320.393 -0.663 30 20 DBED CC#CCN1CCO[C@]2(CCN(C(=O)[C@H]3CCC(=O)N3C)C2)C1 972520092 OUHINUCUAMYXIR-RHSMWYFYSA-N 319.405 -0.066 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]1CN(C)C(=O)c1nnc(O)nc1O 978068638 FNRGYAOFCYRPNM-JGVFFNPUSA-N 320.309 -0.885 30 20 DBED C#CCN1C[C@H]2C[C@H](NC(=O)C3CS(=O)(=O)C3)CC[C@H]2C1 979722246 BOWOUFBRSTUMPB-OUCADQQQSA-N 310.419 -0.119 30 20 DBED N#CCN1CCCC2(C1)CN(C(=O)CN1CCOCC1=O)C2 981815857 FKLGZEHMJNMFGC-UHFFFAOYSA-N 306.366 -0.707 30 20 DBED C[C@H]1[C@@H](NCCN2C(=O)CNC2=O)CCN1C(=O)C#CC1CC1 986288450 UVIGNBJEYSYOGG-AAEUAGOBSA-N 318.377 -0.469 30 20 DBED N#Cc1ccc(C(=O)N2CC(NC(=O)[C@@H]3COCCO3)C2)[nH]1 990274946 FXFNWNPVIDYLJU-LBPRGKRZSA-N 304.306 -0.758 30 20 DBED C[C@H](C(=O)N1CC(NC(=O)c2ccc(C#N)[nH]2)C1)S(C)(=O)=O 990868550 LYEXAACHKMHGBE-MRVPVSSYSA-N 324.362 -0.740 30 20 DBED N#CCN1CC[C@]2(NC(=O)C[C@@H]3NC(=O)NC3=O)CCC[C@H]12 991099539 IAARAYPPRXIDSP-PKFCDNJMSA-N 305.338 -0.779 30 20 DBED CC#CCN1CC[C@@]2(NC(=O)CN3CCNC(=O)C3)CCC[C@H]12 992108338 PLKACNPFYZCWTG-YOEHRIQHSA-N 318.421 -0.445 30 20 DBED N#CCN[C@@H]1CCC[C@H]2CN(C(=O)Cn3c(O)nnc3O)C[C@@H]21 992871751 KYQMZHTYPLKSII-GARJFASQSA-N 320.353 -0.570 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)c3cnn(C)n3)C[C@]2(C)C1 993130375 DUSHZIJSJGABSH-HFAKWTLXSA-N 316.365 -0.105 30 20 DBED Cc1nc2nccc(C(=O)NC3CN(C(=O)C#CC4CC4)C3)n2n1 996388235 SCABOCFITSTPFD-UHFFFAOYSA-N 324.344 -0.213 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CCCN2C)C1 1000005522 OZQHYBAEEXEKOG-MCIONIFRSA-N 307.394 -0.001 30 20 DBED C#Cc1cncc(C(=O)N(C)C[C@@H]2CCCN2C(=O)C(N)=O)c1 1002915436 UOVMUTSZOXPKBP-ZDUSSCGKSA-N 314.345 -0.389 30 20 DBED C=CCCn1cc(C(=O)N2CC[C@H](NC(=O)C(N)=O)[C@@H]2C)nn1 1011793818 DBJDFILIONJEPT-UWVGGRQHSA-N 320.353 -0.941 30 20 DBED N#CCN1CC[C@H](NC(=O)c2cn(C3CCOCC3)nn2)C1 1015958066 HKXBHCUKWRSFBY-NSHDSACASA-N 304.354 -0.043 30 20 DBED Cn1nncc1C(=O)N1CC[C@H]2CN(C(=O)C#CC3CC3)C[C@H]21 1021514231 RTZPIQUHTZXTST-GXTWGEPZSA-N 313.361 -0.099 30 20 DBED Cc1c[nH]c(C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2O)n1 1023913911 QBTGLIMOXYCACR-VXGBXAGGSA-N 302.334 -0.567 30 20 DBED C=C[C@@](C)(CC)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2nnn(C)n2)C1 1025129660 PEEHMWLXXWFZFU-RULNRJAQSA-N 322.369 -0.886 30 20 DBED C#CCN[C@@H]1CC[C@H]2CN(C(=O)Cn3ccc(O)nc3=O)C[C@@H]21 1026306623 ODCDQTFAKYKJHF-RWMBFGLXSA-N 316.361 -0.591 30 20 DBED C#CCN1CC[C@H](CNC(=O)[C@H]2CCc3nnnn3CC2)C1 1028816809 LMVIARBETSPHTB-OLZOCXBDSA-N 302.382 -0.303 30 20 DBED C#CCN1[C@H]2CC[C@H]1CN(C(=O)CCn1ncn(C)c1=O)C2 1029405434 JLIPFAIVRKDLNY-STQMWFEESA-N 303.366 -0.720 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NC1CN(Cc2nnnn2C)C1 1030333826 LIQPTKLAVILMSW-NEPJUHHUSA-N 306.370 -0.508 30 20 DBED C#CCOc1ccc(C(=O)NC2CN([C@H](C)C(N)=O)C2)cc1 1031066862 NJIMUOMSAQOFBE-LLVKDONJSA-N 301.346 -0.014 30 20 DBED N#Cc1cccc(CN2CC(CNC(=O)[C@@H]3CNC(=O)N3)C2)c1 1031943634 BCQCQTYXWDVMOO-AWEZNQCLSA-N 313.361 -0.212 30 20 DBED C#Cc1cncc(C(=O)NCC2CN([C@@H]3CCN(C)C3=O)C2)c1 1031963750 VYTZHYLOENFKRS-OAHLLOKOSA-N 312.373 -0.045 30 20 DBED N#CCN1C[C@@H]2C[C@H]1CN2C(=O)CN1CCCCS1(=O)=O 1032522262 WLOCZRKCUYWCGP-RYUDHWBXSA-N 312.395 -0.779 30 20 DBED N#CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1COCCN1CC(F)F 1032540345 CNJRVDLDSSRWBC-SRVKXCTJSA-N 314.336 -0.239 30 20 DBED C=CCCN1CCO[C@@H](CNC(=O)[C@@H]2CCCS2(=O)=O)C1 1035610013 KIOAOYNVGWRUMM-STQMWFEESA-N 316.423 -0.043 30 20 DBED C=CCN1CC[C@@H](N2CC[C@H]2CNC(=O)c2cn(C)nn2)C1=O 1038225265 FJZIHRFUQQFOKQ-WCQYABFASA-N 318.381 -0.594 30 20 DBED CC(C)C#CC(=O)NC[C@]1(O)CCN(C(=O)[C@H]2COCCO2)C1 1039664386 PDMQMKOJNIQMHO-CZUORRHYSA-N 324.377 -0.859 30 20 DBED C#CCN1[C@H]2CCC[C@H]1CN(C(=O)[C@@H]1CN(C(C)=O)CCO1)C2 1039988791 FOHNWRZSYPNTIA-JYJNAYRXSA-N 319.405 -0.068 30 20 DBED C=CCCOCC(=O)N1CC[C@@](O)(CNC(=O)c2cnco2)C1 1040383075 JTHXAAHAUVRCJO-OAHLLOKOSA-N 323.349 -0.040 30 20 DBED C[C@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)c2ccncn2)C1 1040761867 XGUWOLLFYUBNGQ-YGRLFVJLSA-N 303.322 -0.671 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@](O)(CNC(=O)C(C)(C)C)C1 1040873502 NXFKPCFDLKZIFP-MRXNPFEDSA-N 323.393 -0.748 30 20 DBED N#Cc1nccc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCCOC3)C2)n1 1040945207 QBMWFGNWFJXRNU-IJLUTSLNSA-N 317.349 -0.559 30 20 DBED N#CCSCC(=O)NCC1(O)CN(C(=O)c2ccc[nH]2)C1 1041568693 NUVPTCMRWNZDPM-UHFFFAOYSA-N 308.363 -0.425 30 20 DBED CC#CCN1CC[C@H]2CCN(C(=O)CN3C(=O)CNC3=O)C[C@H]21 1042345214 JPYPXZKOTIYBQE-QWHCGFSZSA-N 318.377 -0.516 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(O)CN(C(=O)[C@@H](F)C(C)C)C1 1042815053 WLYLZMSUIOGREL-GXTWGEPZSA-N 316.373 -0.003 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@@H]3C[C@@H]3C2)C1 1043044540 YCNFNNUXYSSNBY-IGQOVBAYSA-N 320.389 -0.240 30 20 DBED C[C@@H]1CN(C(=O)[C@@H]2COCCO2)C[C@H]1N=c1cc[nH]c(C#N)n1 1043080883 VRADPGKHCPARIR-UTUOFQBUSA-N 317.349 -0.556 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1(O)CN(C(=O)[C@@H](C)C#N)C1 1043245118 ASMLXGMUPVBVDL-AVGNSLFASA-N 321.377 -0.183 30 20 DBED COc1cccnc1C(=O)NCC1(O)CN(C(=O)[C@H](C)C#N)C1 1044306586 HFFUVKOSHJKTFO-SNVBAGLBSA-N 318.333 -0.447 30 20 DBED C=C[C@@H](C)[C@H](C)C(=O)NCC1(O)CN(C(=O)CC(=O)NC)C1 1044981452 WTPHDLSUXNHSHV-MNOVXSKESA-N 311.382 -0.730 30 20 DBED CC(C)CO[C@@H](C)C(=O)N1CC(O)(CNC(=O)[C@@H](C)C#N)C1 1045539992 BWXABEOQCKFAMD-RYUDHWBXSA-N 311.382 -0.103 30 20 DBED C=C[C@@](C)(CC)C(=O)NCC1(O)CN(C(=O)CC(=O)NC)C1 1045777861 PREMFZALNFFTHB-AWEZNQCLSA-N 311.382 -0.586 30 20 DBED C=CCN1CC[C@@H](N2CCN(C(=O)[C@H]3CC(=O)N(C)C3)CC2)C1 1046033764 KGXDJEFXQOUXNV-LSDHHAIUSA-N 320.437 -0.131 30 20 DBED C#CCCN1CC[C@@H](N2CCN(C(=O)c3nc[nH]n3)CC2)C1 1046071783 MRCWEEBMEIGOTI-CYBMUJFWSA-N 302.382 -0.340 30 20 DBED C=C1CC(C)(C(=O)NCC2(O)CN(C(=O)CCCC(N)=O)C2)C1 1046311782 LJOVCDCLBMDNHK-UHFFFAOYSA-N 323.393 -0.312 30 20 DBED C=CCN1CC[C@@H](N2C[C@H](O)[C@@H](N(C)C(=O)C(C)C)C2)C1=O 1047306656 SFJDQBDUHIDEPY-RDBSUJKOSA-N 309.410 -0.067 30 20 DBED CN(C(=O)CSCC#N)[C@H]1CN(C(=O)c2cnco2)C[C@@H]1O 1048301970 LQPBUIPUHYFFIS-UWVGGRQHSA-N 324.362 -0.425 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C#CC(C)C)C1 1048811476 XYFWXYTZAYFLRD-KBPBESRZSA-N 308.378 -0.122 30 20 DBED Cc1conc1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)C#N)C1 1049393576 CJZLMUNVZZMILI-MIMYLULJSA-N 306.322 -0.214 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)CCc2ncc[nH]2)C[C@@H]1O 1049394449 KJGXXPQAOGMHTH-SRVKXCTJSA-N 319.365 -0.468 30 20 DBED Cc1cncn1CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)C#N)C1 1049401531 HKYZRNYSWCRUHC-WXHSDQCUSA-N 319.365 -0.619 30 20 DBED CC#CCN1CCOC[C@H]1CNC(=O)[C@H]1COCCN1CC 1050993312 RNBBPMPQQCJCIS-HUUCEWRRSA-N 309.410 -0.453 30 20 DBED N#Cc1cnccc1N1CC[C@H](NC(=O)c2nc[nH]n2)[C@H](O)C1 1051710790 DDQFBRFXWPXHAG-CMPLNLGQSA-N 313.321 -0.559 30 20 DBED C=CCN1CCN([C@H]2CCN(C(=O)[C@@H]3CCCNC3=O)C2)CC1 1052037531 NFKZIWRCLSQULE-LSDHHAIUSA-N 320.437 -0.083 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1C 1052660387 GVMYBXAFKHUPPG-STQMWFEESA-N 318.381 -0.313 30 20 DBED Cc1cc(OCC(=O)N2CCOC3(CN(CC#N)C3)C2)no1 1053295934 XICUIZPBPWQXAH-UHFFFAOYSA-N 306.322 -0.201 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)[C@@H]1CCCNC1=O)CCO2 1053296301 IQBBMWMOWPPFAU-CYBMUJFWSA-N 305.378 -0.551 30 20 DBED C#Cc1ccc(C(=O)N2CCOC3(CN(CC(N)=O)C3)C2)cc1 1053369792 HFOOUBMSCGCCGV-UHFFFAOYSA-N 313.357 -0.320 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)c3cnnn3CC)CO2)C1 1053795651 SRGPFPNIHDKOKH-GFCCVEGCSA-N 303.366 -0.106 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)[C@@H]3CCCN3C(C)=O)CO2)C1 1053987645 RROBJEQVEYJCPQ-CABCVRRESA-N 319.405 -0.020 30 20 DBED N#Cc1cncc(N2CCN(C(=O)[C@H]3CCCC(=O)N3)CC2)n1 1055931255 SKGBKXNZLIELDE-GFCCVEGCSA-N 314.349 -0.334 30 20 DBED CN1CC[C@H](C(=O)N2CCN(c3nccnc3C#N)CC2)C1=O 1055973594 QKHYXMDGOWOEEQ-NSHDSACASA-N 314.349 -0.525 30 20 DBED Cn1oc(C(=O)N2CC[C@@H](N=c3cc[nH]cc3C#N)C2)cc1=O 1056618204 OVOGSHSXQVHIEY-LLVKDONJSA-N 313.317 -0.007 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCN(CCO)C(=O)c1ccccn1 1056793724 UIBAOFZMMUWOLQ-MRXNPFEDSA-N 321.377 -0.041 30 20 DBED CN(c1cncc(C#N)n1)[C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 1057013133 XVRWUCRRMAAHSC-GHMZBOCLSA-N 315.337 -0.933 30 20 DBED CS(=O)(=O)CC(=O)N1CCCN(c2ccc(C#N)nn2)CC1 1057100616 KCIPYBNREXUHRE-UHFFFAOYSA-N 323.378 -0.568 30 20 DBED CC(C)(C(N)=O)C(=O)N1CCCN(c2ccnc(C#N)n2)CC1 1057190001 VXUPIEMBVHGPJQ-UHFFFAOYSA-N 316.365 -0.102 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)c1c(C)n[nH]c1C 1057193336 DTWAOZDZXSAVFG-UHFFFAOYSA-N 324.381 -0.220 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)C[C@H]1CCNC1=O 1057524683 MZGBYMWGIPTZET-CYBMUJFWSA-N 323.393 -0.891 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)[C@H]1CC[C@H]1C(N)=O 1057525252 MKAXOKXNCNDAEK-OLZOCXBDSA-N 323.393 -0.906 30 20 DBED C#CCOCCC(=O)N(CCO)CCNC(=O)c1coc(C)n1 1057580243 AKPOOYHUQLXWDB-UHFFFAOYSA-N 323.349 -0.426 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)CCn1ccnc1 1058200339 BCMMWWKCCAXKDT-UHFFFAOYSA-N 320.393 -0.130 30 20 DBED COc1cccnc1C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N 1058258990 SLMWKPAZBJRCNA-NSHDSACASA-N 320.349 -0.199 30 20 DBED N#Cc1nccc(N2CC[C@H](NC(=O)[C@@H]3CCC(=O)N3)C2)n1 1058408485 JFZJUBYQIIYMQG-UWVGGRQHSA-N 300.322 -0.678 30 20 DBED Cc1cc(C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N)ncn1 1058652904 HXGYBXDONSXGSD-JTQLQIEISA-N 305.338 -0.505 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)c1ccc(=O)n(C)n1 1058881998 TZRQRDGXCMDYFW-UHFFFAOYSA-N 322.365 -0.703 30 20 DBED CC(C)C#CC(=O)N1CCC2(CC1)CN(C(=O)CC(N)=O)C2 1060958683 XETCSCGUUPXCDR-UHFFFAOYSA-N 305.378 -0.028 30 20 DBED CC(=O)NCC(=O)NCC1(NC(=O)CSCC#N)CCC1 1062410547 VCMRCMQQZTWECC-UHFFFAOYSA-N 312.395 -0.466 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(NC(=O)Cn2cncn2)CCC1 1063043645 SWHMTUUZTNERSN-LBPRGKRZSA-N 319.365 -0.529 30 20 DBED CN1C[C@H](C(=O)NCC2(NC(=O)C#CC3CC3)CCC2)NC1=O 1063916267 ZIONFKKSOSKQPL-GFCCVEGCSA-N 318.377 -0.422 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CCNC2=O)CCO1 1065422736 UECNLIPPDHGHQC-VXGBXAGGSA-N 309.366 -0.568 30 20 DBED Cc1cc(C#N)nc(NC[C@@H]2C[C@H](C)N(C(=O)C(N)=O)C2)n1 1068369798 ZTGRAOSIRVETRF-UWVGGRQHSA-N 302.338 -0.209 30 20 DBED N#Cc1cccnc1NC[C@H]1C[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 1068572757 DNVMIGZMXSZJIV-DLOVCJGASA-N 314.349 -0.059 30 20 DBED C#CCO[C@H](C)C(=O)N1CC2(C[C@H](NC(=O)COC)CO2)C1 1068656465 PDGRDZLYLXEHLD-NEPJUHHUSA-N 310.350 -0.843 30 20 DBED C=CCCC(=O)N1CC2(C[C@H](NC(=O)c3cnn[nH]3)CO2)C1 1068919268 JHYZCKSNMMCCFH-JTQLQIEISA-N 305.338 -0.129 30 20 DBED C=C(C)C[C@@H](C)C(=O)N[C@H]1COC2(C1)CN(C(=O)CC(N)=O)C2 1068975540 JXNZLUXZTCETDZ-VXGBXAGGSA-N 323.393 -0.050 30 20 DBED CCN(C)CCC(=O)N1CC2(C[C@@H](NC(=O)[C@@H](C)C#N)CO2)C1 1069007768 KJYQWGNELMSORZ-QWHCGFSZSA-N 322.409 -0.026 30 20 DBED C#CCN1CCn2ncc(CNC(=O)c3nnn(C)c3C)c2C1 1069855437 AZIIYDRRMINQEZ-UHFFFAOYSA-N 313.365 -0.301 30 20 DBED C#CCN[C@@H]1CN(C(=O)Cc2ccon2)C[C@@H]1n1ccnn1 1070161101 UVNYJWVYXFYHCW-OLZOCXBDSA-N 300.322 -0.517 30 20 DBED C=CCN[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@@H]1n1ccnn1 1070265702 UKNLKFZYNZUVQU-MNOVXSKESA-N 304.354 -0.929 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCC[C@@H](NC(=O)CNC(N)=O)C1 1070902508 JNENPCBTOLSBDB-WDEREUQCSA-N 312.370 -0.647 30 20 DBED N#CCN[C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCC(=O)N2)CC1 1071044116 HODFCJWXTPPUSX-NFAWXSAZSA-N 320.393 -0.226 30 20 DBED C#CCN1CCC2(C1)CN(C(=O)CC[C@@H]1NC(=O)NC1=O)C2 1073413302 VKDNYHBJJIPHFP-NSHDSACASA-N 304.350 -0.858 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)c2ccn(C)c(=O)c2)C1 1073665597 YUMCEANIDWHTGI-AWEZNQCLSA-N 303.362 -0.161 30 20 DBED C#CCO[C@@H](C)C(=O)NCC[C@H](C)NC(=O)C(=O)NCC1CC1 1076509204 RAXWMQHXUUIZBE-RYUDHWBXSA-N 323.393 -0.438 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2coc(C(F)(F)F)n2)C1 1077306731 QELWUOQLBHLWNF-HTRCEHHLSA-N 304.228 -0.008 30 20 DBED Cn1ncc2c1C[C@@H](C(=O)N[C@@H]1CN(CC#N)C[C@H]1O)CC2 1077573230 FULLMNLOMIVCRI-ZKYQVNSYSA-N 303.366 -0.790 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H](C)CCNC(=O)[C@@H]1CCC(=O)N1 1077638724 RLIWMYZUPATARA-SRVKXCTJSA-N 309.366 -0.686 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)c2cccc(C(N)=O)n2)C1 1078245968 FRJDHZWEBBBZJH-VXGBXAGGSA-N 324.768 -0.292 30 20 DBED C#Cc1ccccc1CC(=O)N(CC)C1CN(C(=O)C(N)=O)C1 1080199611 IKCXSEDWZKYJTL-UHFFFAOYSA-N 313.357 -0.245 30 20 DBED CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)c2c[nH]c(=O)cn2)C1 1080414685 QWEPIVUBJRXUKU-SECBINFHSA-N 303.322 -0.398 30 20 DBED CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)C[C@@H]2CCNC2=O)C1 1080415788 DLDNGRBCYHKAHN-MNOVXSKESA-N 306.366 -0.268 30 20 DBED C[C@@H](C#N)C(=O)NC1(CO)CCN(C(=O)c2cccnn2)CC1 1080981558 GVVXNFAIZCNWFT-NSHDSACASA-N 317.349 -0.280 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cn(C)cn2)C1 1081406973 AYZZZYYQCNCDPI-YPMHNXCESA-N 306.366 -0.065 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)COCC=C)C[C@@H]1O 1081442207 RWUDVNKUPJHWOM-KGLIPLIRSA-N 308.378 -0.072 30 20 DBED C#CCN1C[C@@H](NC(=O)c2cccn3nnnc23)[C@H](OC)C1 1081731730 QJQDZEPNDPLUJO-VXGBXAGGSA-N 300.322 -0.814 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CCn1ccnn1 1083063416 JICNHPIMHKXLGD-UONOGXRCSA-N 303.366 -0.397 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2cc(O)nc(C3CC3)c2)C1 1083517201 PCWYNFOPJKWFGP-OLZOCXBDSA-N 302.334 -0.037 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@H]2COCCN2CCCC)C1 1083670844 QAUSHVCKBIHQPU-OAGGEKHMSA-N 323.437 -0.328 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN([C@@H](C)C(=O)N(C)C)C[C@@H]2O)C1 1083763608 SLAXKWLLRYCNJG-XQQFMLRXSA-N 309.410 -0.019 30 20 DBED C#CCOc1ncccc1C(=O)N[C@@H]1CN(C[C@H](C)O)C[C@@H]1O 1083967313 ANPIBNWCLSUXRO-YUTCNCBUSA-N 319.361 -0.751 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)CN3CCC(=O)NC3=O)[C@@H]2C1 1084761485 ICDDWVZCVMYKPA-VXGBXAGGSA-N 304.350 -0.906 30 20 DBED C[C@@H](C[C@@H](C)N=c1cc[nH]cc1C#N)NC(=O)Cn1cnnn1 1089214582 IXAIWADVTSKGRB-MNOVXSKESA-N 314.353 -0.243 30 20 DBED C[C@@H](CCCCN=c1cc[nH]c(C#N)n1)NC(=O)CNC(N)=O 1090024305 AUHYQAOLSHAUAB-JTQLQIEISA-N 319.369 -0.475 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2ccc3nn[nH]c3n2)[C@@H](O)C1 1090314163 WXYBOBNLDRJJLX-GWCFXTLKSA-N 314.349 -0.459 30 20 DBED C=CCN1CC[C@H](NC(=O)Cc2c(C)nc(O)nc2O)[C@H](O)C1 1090670050 AHJMVAILEICFHB-NWDGAFQWSA-N 322.365 -0.524 30 20 DBED C[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1NC(=O)C(C)(C)C(N)=O 1090781069 VCTHQCBTXFYPGB-MWLCHTKSSA-N 316.365 -0.199 30 20 DBED C#CCNC(=O)CC(=O)N1CCN(c2ccc(C#N)nn2)CC1 1093148456 JPUQIZPWVDVQPH-UHFFFAOYSA-N 312.333 -0.864 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)C34CCN(CC3)C4)CC2=O)C1 1094806313 MFSVPCADJHPGDO-CYBMUJFWSA-N 318.421 -0.331 30 20 DBED Cc1c[nH]cc1C(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1 1094815609 YKNKJNNNSYQLQL-NSHDSACASA-N 301.350 -0.138 30 20 DBED CO[C@H](C)C(=O)NCCN1CCN(c2cncc(C#N)n2)CC1 1096271070 UNXUOSHIDQMNLH-GFCCVEGCSA-N 318.381 -0.379 30 20 DBED CS(=O)(=O)CCC(=O)N[C@H]1CCN(c2ccc(C#N)nn2)C1 1096502945 XZRYNQGUAGPMQM-NSHDSACASA-N 323.378 -0.522 30 20 DBED CC(=O)N[C@H](C)C(=O)N[C@H]1C[C@@H](N=c2cc[nH]c(C#N)n2)C1 1097144592 IWRUMEYYODJOBF-IEBDPFPHSA-N 302.338 -0.646 30 20 DBED C[C@@H](CNC(=O)CNC(=O)C1CC1)Nc1cnc(C#N)cn1 1097686944 PACIUBILSBIYGZ-VIFPVBQESA-N 302.338 -0.209 30 20 DBED Cc1cc(=N[C@@H](C)CNC(=O)CS(C)(=O)=O)c(C#N)c[nH]1 1097700394 ZEKVXSULQUMYRL-JTQLQIEISA-N 310.379 -0.355 30 20 DBED C[C@@H](C(=O)NC[C@@H](C)N=c1cc[nH]c(C#N)n1)N1CCOCC1 1097924568 AMGRZBVCOPNWDG-NEPJUHHUSA-N 318.381 -0.593 30 20 DBED C[C@H](CNC(=O)C[C@@H]1NC(=O)NC1=O)Nc1ncccc1C#N 1098378578 XDTUCSDYSKZGGY-SCZZXKLOSA-N 316.321 -0.532 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2cnn(C)c2)[C@H](O)C1 1099651160 QARMDQLKLGTEBO-UONOGXRCSA-N 306.366 -0.765 30 20 DBED CC(C)C(C)(C)C(=O)N[C@H]1CCN(CC(=O)NCC#N)C[C@H]1O 1099853260 MZGFPHCXUZVXNA-QWHCGFSZSA-N 324.425 -0.140 30 20 DBED COCC#CCN1CC[C@H](NC(=O)CCc2ccon2)[C@H](O)C1 1099923210 BJRORBCVTQQKJA-LSDHHAIUSA-N 321.377 -0.192 30 20 DBED CN(CCNC(=O)[C@]1(C)CCNC1=O)c1ccc(C#N)nn1 1100325430 HNXKROXDAVALRS-CQSZACIVSA-N 302.338 -0.573 30 20 DBED C[C@@H]1CN(C)C[C@H](C(=O)NCCN(C)c2nccnc2C#N)O1 1100407208 HBTSJHUDHNLYMT-DGCLKSJQSA-N 318.381 -0.380 30 20 DBED COCC#CCNC1CC(CNC(=O)C[C@H]2CCC(=O)N2)C1 1100753730 NCHCOJMGCUKLMK-ROKHWSDSSA-N 307.394 -0.211 30 20 DBED COCC#CCNC1CC(CNC(=O)C(=O)NCC2CC2)C1 1100801403 WDNBHSMRXWXNMN-UHFFFAOYSA-N 307.394 -0.353 30 20 DBED CCCN(CCNC(=O)Cn1ncnn1)c1ccc(C#N)cn1 1101192341 UEYNCIJOYKEJBW-UHFFFAOYSA-N 314.353 -0.027 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1CNC(=O)CCS(=O)(=O)N(C)C 1102593802 MXZWAAOAEGAVLY-VXGBXAGGSA-N 316.427 -0.524 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1CCNC(=O)c1cnn[nH]1 1103179722 UYQWWOZWOWBAEO-GHMZBOCLSA-N 319.369 -0.868 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)[C@@]12COC[C@@H]1C2 1104249223 KJSYAISQZCZBIW-PGUXBMHVSA-N 301.350 -0.029 30 20 DBED C#CCNCc1cn(C2CN(C(=O)[C@H]3C[C@H]3OCC)C2)nn1 1105171151 AVVQCGBSVQXPQN-UONOGXRCSA-N 303.366 -0.191 30 20 DBED C#CCNCc1cn(C2CN(C(=O)[C@@H]3CN(C)C[C@H]3C)C2)nn1 1105327011 OMOGAPKRABVKDR-IUODEOHRSA-N 316.409 -0.418 30 20 DBED Cc1[nH]nc(C(=O)NC[C@@H](O)CN=c2cc[nH]c(C#N)n2)c1C 1105761366 BQTHHRUGAXEWGR-JTQLQIEISA-N 315.337 -0.687 30 20 DBED Cc1cc(C(=O)NC[C@H](O)CN=c2cc[nH]c(C#N)n2)co1 1105814124 YELTWRNVBIBHJE-LLVKDONJSA-N 301.306 -0.126 30 20 DBED COCC[C@H](C)C(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1 1105860104 PHDLYUGVHZVLNL-QWRGUYRKSA-N 307.354 -0.668 30 20 DBED C[C@@H](CCNc1ccc(C#N)nn1)NC(=O)Cn1ncnn1 1106454337 ITIPURYTLACMEU-VIFPVBQESA-N 301.314 -0.658 30 20 DBED C[C@@H](CCNc1nccnc1C#N)NC(=O)Cn1ncnn1 1106454589 NZLZDSIHPOEJRF-VIFPVBQESA-N 301.314 -0.658 30 20 DBED C[C@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)C[C@H]1CCNC1=O 1106464899 IQFKMGSHOUNHMX-GHMZBOCLSA-N 316.365 -0.397 30 20 DBED C=CCNC(=O)CNC[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1C 1106761431 LLIFFKATZDYHNK-VXGBXAGGSA-N 320.397 -0.585 30 20 DBED CCN(CCNc1nccnc1C#N)C(=O)Cc1nc[nH]n1 1106838423 JPFAGWKEQDECER-UHFFFAOYSA-N 300.326 -0.031 30 20 DBED CN1CC[C@H](C(=O)NC/C=C/CN=c2cc[nH]c(C#N)n2)C1=O 1107458925 BAQSHHDFIVOTGU-KXMPLOMGSA-N 314.349 -0.667 30 20 DBED COCC#CCN1CCO[C@](C)(CNC(=O)[C@H]2CCCN2C)C1 1107816799 IATMMJJGLSPMET-NVXWUHKLSA-N 323.437 -0.063 30 20 DBED Cc1c(CC(=O)N[C@H](C)CN=c2cc[nH]c(C#N)n2)cnn1C 1107967485 TZSKJWGXMBBVRY-SNVBAGLBSA-N 313.365 -0.029 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)c2cc(=O)n(C)cn2)C1 1108004453 SLHDLKIGRIVEIK-OAHLLOKOSA-N 304.350 -0.766 30 20 DBED COCC(=O)N[C@H](C)C(=O)N[C@H](C)CNc1ccc(C#N)nn1 1108174389 XADYBPBFLOLOIL-NXEZZACHSA-N 320.353 -0.584 30 20 DBED C[C@@H](C(=O)N[C@H](C)CNc1cnc(C#N)cn1)S(C)(=O)=O 1108195009 KAOSYCPGPINZMK-BDAKNGLRSA-N 311.367 -0.302 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)CCn1ccnn1 1108330092 GAWNNNGMOWYPRD-JTQLQIEISA-N 300.326 -0.631 30 20 DBED CNC(=O)NCCC(=O)N[C@@H](C)CNc1cnc(C#N)cn1 1108362249 HHPNJLROXGENCG-VIFPVBQESA-N 305.342 -0.416 30 20 DBED C=CCCC(=O)N[C@H]1CC(=O)N(C2CN(Cc3cnon3)C2)C1 1108519639 HUUKKIMPQKOLCZ-NSHDSACASA-N 319.365 -0.063 30 20 DBED COCC(=O)NCCC(=O)N[C@@H](C)CNc1cncc(C#N)n1 1108747829 GHWBLPVRLCHZJC-JTQLQIEISA-N 320.353 -0.582 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cocn1 1110383133 QALNKPPVJYQDTE-WZRBSPASSA-N 302.334 -0.241 30 20 DBED C[C@@]1(CNC(=O)CC(N)=O)CCCN(c2ccnc(C#N)n2)C1 1110920891 YOYNHZFEJGCNFH-HNNXBMFYSA-N 316.365 -0.054 30 20 DBED N#Cc1cnc(N2CC[C@@](O)(CNC(=O)[C@@H]3CCCO3)C2)cn1 1111032098 SCMCEBJPOLULRN-SWLSCSKDSA-N 317.349 -0.415 30 20 DBED CN(C)CCC(=O)NC[C@]1(O)CCN(c2ncccc2C#N)C1 1111124854 WWVMZNLBDQWSFU-MRXNPFEDSA-N 317.393 -0.038 30 20 DBED C#CCN1C[C@@H]2CCC[C@]2(NC(=O)CCn2ncn(C)c2=O)C1 1111820112 NKNZQSHMVZTTII-BBRMVZONSA-N 317.393 -0.424 30 20 DBED N#Cc1cnc(N2CCC[C@H](NC(=O)CC(N)=O)CC2)cn1 1111977327 FYZXUTJGPFMZGJ-JTQLQIEISA-N 302.338 -0.301 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)c2cnn(C)c2)CC1 1112606105 GWRRNYVECJJOLO-LBPRGKRZSA-N 305.382 -0.131 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)c2snnc2C)CC1 1112606358 TWEBAYLCWCOQLU-NSHDSACASA-N 321.406 -0.258 30 20 DBED CCN(CCC#N)C(=O)CN1CCN(C(=O)[C@@H](C)OC)CC1 1112652584 MQMLEHSZFXVGKX-CYBMUJFWSA-N 310.398 -0.072 30 20 DBED C=CCOCCN1CCN(C(=O)CNS(=O)(=O)CC)CC1 1112914817 GCFKMYWILKRPHV-UHFFFAOYSA-N 319.427 -0.728 30 20 DBED C=CCOCCN1CCN(C(=O)CCS(C)(=O)=O)CC1 1113025372 QXKOFVOQDHMAKH-UHFFFAOYSA-N 304.412 -0.232 30 20 DBED C#CCOCCC(=O)N[C@@H](C)[C@H](C)Nc1ccc2nnnn2n1 1113165454 KVCMNANIZSTVCT-QWRGUYRKSA-N 317.353 -0.136 30 20 DBED C#Cc1ccc(C(=O)N2CCN(C[C@H](O)COC)CC2)cn1 1113557742 MIGZLUWBUBRKOP-HNNXBMFYSA-N 303.362 -0.172 30 20 DBED C[C@@H](CNC(=O)CCn1cnnn1)N(C)c1cnc(C#N)cn1 1113686113 SQQNYKPQWBMEBP-JTQLQIEISA-N 315.341 -0.634 30 20 DBED C[C@H](CNC(=O)CC(=O)N(C)C)N(C)c1cnc(C#N)cn1 1113916874 MFLGWOZEEPCKHP-SNVBAGLBSA-N 304.354 -0.233 30 20 DBED CCCCOCC(=O)NC1[C@H]2CN(CC(=O)NCC#N)C[C@H]12 1114082324 JLYHYQRTIYLIMH-RYUDHWBXSA-N 308.382 -0.511 30 20 DBED N#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3cccc(O)n3)[C@H]2C1 1114101516 QXWKPHAQLKGORL-UWVGGRQHSA-N 315.333 -0.913 30 20 DBED O=C(C#CC1CC1)NC1[C@@H]2CN(CCN3C(=O)CCC3=O)C[C@@H]12 1114258613 WPOYKVLFALOTTP-CHWSQXEVSA-N 315.373 -0.405 30 20 DBED COCCC1(C(=O)NC2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]23)CC1 1114386813 GQFKMMRYYWRVOV-VXGBXAGGSA-N 320.393 -0.511 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)c3cocc3C)[C@@H]2C1 1114683993 YUTPLNMVJXKTPM-VXGBXAGGSA-N 301.346 -0.003 30 20 DBED Cc1conc1C(=O)NC1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]12 1115075107 ZASWKZYGZCMADP-NXEZZACHSA-N 303.322 -0.717 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)Cn3cncn3)[C@@H]2C1 1115213477 WUFUDPRWOIJKHE-QJPTWQEYSA-N 318.381 -0.985 30 20 DBED N#Cc1nc(=NCCCOCCNC(=O)c2cn[nH]c2)cc[nH]1 1115383238 DVONFLFMLAXQHE-UHFFFAOYSA-N 315.337 -0.258 30 20 DBED C[C@@H](CN(C)C(=O)CS(C)(=O)=O)N=c1cc[nH]c(C#N)n1 1115632042 GCCHSHIORMBMHK-VIFPVBQESA-N 311.367 -0.926 30 20 DBED C=CCS(=O)(=O)CCNC(=O)NC1CCN(C(C)=O)CC1 1116531165 CULDMEGDTZXPRJ-UHFFFAOYSA-N 317.411 -0.103 30 20 DBED C[C@@H](CS(C)(=O)=O)NC(=O)C(=O)N1CCC[C@@](C)(C#N)C1 1117378933 GITHCEWQMXGZLU-GWCFXTLKSA-N 315.395 -0.312 30 20 DBED N#Cc1ccc(NCC(=O)NCCCCS(N)(=O)=O)nc1 1117782249 WLQIFTRXHWEPLV-UHFFFAOYSA-N 311.367 -0.450 30 20 DBED C#CC1CCN(C(=O)C(=O)NCc2nnn(C(C)(C)C)n2)CC1 1118396428 VUQDQCZEKIHBSQ-UHFFFAOYSA-N 318.381 -0.084 30 20 DBED COCC#CC(=O)N(CCCN(C)C)[C@@H]1CCS(=O)(=O)C1 1118723338 DARDNQFGYNFWDG-CYBMUJFWSA-N 316.423 -0.396 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)N2CC[C@](F)(C#N)C2)CCN1C1CC1 1118949354 ZJRABXLWKFINEF-WFASDCNBSA-N 319.340 -0.351 30 20 DBED Cc1cc(=N[C@H](CO)CNC(=O)c2cnsn2)c(C#N)c[nH]1 1121092266 MABAFJOXAXUXRF-JTQLQIEISA-N 318.362 -0.262 30 20 DBED CCOCCC(=O)NC[C@@H](CO)Nc1nc(C)cc(C#N)n1 1121204511 HUJZPOOVYNLJHF-LBPRGKRZSA-N 307.354 -0.028 30 20 DBED CCNC(=O)CCC(=O)NC[C@@H](CO)Nc1cnc(C#N)cn1 1121205259 MTXAUGMSQHDIMI-NSHDSACASA-N 320.353 -0.846 30 20 DBED Cc1cc(=N[C@@H](CO)CNC(=O)c2ncn(C)n2)c(C#N)c[nH]1 1121439409 JUKQZDPTKCDABZ-LLVKDONJSA-N 315.337 -0.985 30 20 DBED CO[C@@H](C(=O)NC[C@@H](CO)N=c1cc[nH]cc1C#N)C1CC1 1121505436 LQIKVXLBOJULPP-GXTWGEPZSA-N 304.350 -0.311 30 20 DBED C#CCOCCC(=O)NC[C@H](CO)Nc1ccc(C#N)nn1 1122029415 UJKULWWYFGRPLN-GFCCVEGCSA-N 303.322 -0.723 30 20 DBED C[C@H]1CCN(CC(=O)NC[C@H](CO)Nc2nccnc2C#N)C1 1122527511 OYSIHFWEZWKWJW-NWDGAFQWSA-N 318.381 -0.421 30 20 DBED CC(=O)NCC(=O)N1CC[C@@H](Nc2cncc(C#N)n2)[C@H]1C 1122903445 MSXXYNDKKMYQOB-BXKDBHETSA-N 302.338 -0.114 30 20 DBED CN(C[C@@H](O)CNc1cnc(C#N)cn1)C(=O)c1cn(C)cn1 1124246452 PMPIQINKIDNOOU-NSHDSACASA-N 315.337 -0.373 30 20 DBED C=CCOCC(=O)NCCNC[C@H]1CCCS(=O)(=O)C1 1124767308 BRQZGIRZAVLKNB-GFCCVEGCSA-N 304.412 -0.280 30 20 DBED C=C(C)CN(CC)C(=O)CNCCNC(=O)[C@H]1CCNC(=O)C1 1125615820 UITWKVMFJFAIFG-ZDUSSCGKSA-N 324.425 -0.357 30 20 DBED C[C@H](C(=O)NCc1cnn2c1CN(CC#N)CC2)n1cncn1 1128312168 JPRWFGFWVIFCEW-LLVKDONJSA-N 314.353 -0.309 30 20 DBED COCCO[C@H](C)C(=O)NCc1cnn2c1CN(CC#N)CC2 1128517453 KRFHFBSSHQTSBC-GFCCVEGCSA-N 321.381 -0.110 30 20 DBED CN(CC(=O)NCCNCc1cccc(C#N)c1)S(C)(=O)=O 1128609029 LDLBXTKQSSCUDS-UHFFFAOYSA-N 324.406 -0.345 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1cnc2[nH]c(C)nc2c1 1129111878 CNCWUXXQQWRYFA-UHFFFAOYSA-N 316.365 -0.112 30 20 DBED C=C(C)CN(CC)C(=O)CNCCNC(=O)[C@@H]1CCC(=O)NC1 1130702761 VCXOHWUWVUDMRY-CYBMUJFWSA-N 324.425 -0.357 30 20 DBED C#CCNC(=O)CN1C[C@H](NC(=O)COCC=C)CC[C@H]1C 1131945936 DFKOGIGHMHRGEY-ZIAGYGMSSA-N 307.394 -0.093 30 20 DBED COCC#CCN1C[C@H](NC(=O)C2(C(N)=O)CC2)CC[C@H]1C 1132262514 YMBFIMNEEUZGAD-CHWSQXEVSA-N 307.394 -0.129 30 20 DBED COc1ccc(C#N)cc1CNCCNC(=O)[C@H]1CCNC1=O 1132356154 QQZSDJRXNBFKOV-ZDUSSCGKSA-N 316.361 -0.091 30 20 DBED CNC(=O)NCC(=O)N1CC[C@@H](C)[C@@H](CNCC#CCOC)C1 1132859562 FMGNTEUIQLJLBB-KGLIPLIRSA-N 324.425 -0.361 30 20 DBED C[C@@H](C[C@@H](C)NCc1nnn(C)n1)NC(=O)CSCC#N 1133735300 BXYPPQMMXFTWPQ-ZJUUUORDSA-N 311.415 -0.160 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1cc(COC)on1 1134911335 TYLHYYWUNHFASO-SNVBAGLBSA-N 308.338 -0.722 30 20 DBED CCN(CCC#N)C(=O)CN[C@H](C)C[C@H](C)NC(=O)C(N)=O 1135339260 BRVWQBGWUJOSEK-MNOVXSKESA-N 311.386 -0.893 30 20 DBED C#CCCN[C@H](C)C[C@H](C)NC(=O)CNS(=O)(=O)N(C)C 1135568436 NLGGDUKNTJLVCX-NEPJUHHUSA-N 318.443 -0.721 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)c2c[nH]c(C)cc2=O)C1=O 1146549529 GXLMAVZSPDSENB-ZDUSSCGKSA-N 318.377 -0.210 30 20 DBED N#CCNC(=O)CN1CCC2(C1)CN(C(=O)c1ccns1)C2 1147647084 LOHHSISYZOOYHZ-UHFFFAOYSA-N 319.390 -0.069 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CN(Cc2cn(C)nn2)CCCO1 1149405743 DJLXWXPOIKEFTD-YPMHNXCESA-N 306.370 -0.318 30 20 DBED CC(C)(C)C(=O)NCC(=O)NC[C@@H]1CN(CC#N)CCCO1 1150700093 RITBVRCANBZXER-GFCCVEGCSA-N 310.398 -0.121 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1ccc(C(N)=O)cc1 1150766007 PNKGNZQXXKXZLD-NSHDSACASA-N 316.361 -0.757 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)c1cc(OC)no1 1152872977 BFMAAUWYLZOURA-SNVBAGLBSA-N 323.353 -0.237 30 20 DBED C#CCN(CC)[C@H](C)CNC(=O)CNC(=O)C1CCOCC1 1155883898 PHYKYEVTHPTNTP-CYBMUJFWSA-N 309.410 -0.011 30 20 DBED C#CCNC(=O)CC(=O)NCCCNC[C@@H]1C[C@H]2CC[C@H]1O2 1156847649 CWWPZOXWMQNSPK-BFHYXJOUSA-N 307.394 -0.211 30 20 DBED C#CCCN1CCC(CNC(=O)CNC(C)=O)(COC)CC1 1162067759 QLVCSEDBEZOWDX-UHFFFAOYSA-N 309.410 -0.009 30 20 DBED CCN(CCC#N)C(=O)CNCC1(CCNC(=O)C(N)=O)CC1 1166924242 ZWXROXALQDRKDI-UHFFFAOYSA-N 323.397 -0.890 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)[C@@H](CC)NC(C)=O 1167184758 DLVAPSCFQYFUME-WCQYABFASA-N 310.398 -0.865 30 20 DBED Cc1ncc(Cl)c(C(=O)NCCCNCC(=O)NCC#N)n1 1167688789 PBGQFEGZQZZPOJ-UHFFFAOYSA-N 324.772 -0.212 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1c(C)nn(CC)c1C 1168539892 KXCPFIVSDKGHLX-UHFFFAOYSA-N 319.409 -0.021 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@H](C)OCCOCC 1176865896 ANKGFTMCZGATKF-ZDUSSCGKSA-N 313.398 -0.727 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2cnn(C)c2)[C@H]1C 1178088670 TUUPCPQGSKGTFD-AAEUAGOBSA-N 303.366 -0.638 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)[C@@H](C)NC(=O)CC)[C@H]1C 1178758063 IEKLNYLTVDJVCY-AGIUHOORSA-N 322.409 -0.771 30 20 DBED C#CCNCCCCCCNC(=O)[C@@H]1CCN(C)S1(=O)=O 1179792482 OVSKEDPBERTRAG-ZDUSSCGKSA-N 315.439 -0.080 30 20 DBED C#CCCNCCCCCCNC(=O)Cn1c(O)nnc1O 1180158016 CLYOYCFDUGPIIE-UHFFFAOYSA-N 309.370 -0.021 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)[C@]2(C)CCC(=O)N2)C1 1185487211 WTPMVUCDPWFBTB-ABAIWWIYSA-N 308.382 -0.852 30 20 DBED C#CCOCCC(=O)N1CC[C@H]2CN([C@@H](C)C(=O)NC)C[C@H]21 1187874485 VBLMKXVUEKHWOY-MELADBBJSA-N 307.394 -0.307 30 20 DBED CN(CC(=O)NC(N)=O)[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 1189687502 NUUWRSQQXXTRBT-JTQLQIEISA-N 318.337 -0.772 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(Cc2nc(C)no2)C[C@H]1O 1192523877 BCLVGSNUGFCNGM-GYSYKLTISA-N 310.354 -0.634 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2cnn(C)c2)C[C@H]1O 1192886014 KRICIDYERNPASP-ZIAGYGMSSA-N 306.366 -0.879 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2cnsn2)C[C@H]1O 1192892642 ZXRYRMZPLRXGIO-MVWJERBFSA-N 310.379 -0.762 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2nc(CC)no2)C[C@H]1O 1192899114 HPQMJTUGSFBEBH-QJPTWQEYSA-N 322.365 -0.668 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)Cc2nonc2C)C1 1193170631 MVLMLICJRVBQJY-LBPRGKRZSA-N 319.365 -0.797 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)COCc2ccnn2C)C1 1194045845 GRAPSIZKELHRNC-ZIAGYGMSSA-N 306.366 -0.879 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)[C@@H](COC)OC)C1 1196030440 OEFLMVPSIXYDMK-JHJVBQTASA-N 302.371 -0.988 30 20 DBED C=CCOCCN1CCCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 1197278552 VMNVVLNUGZKJCC-LBPRGKRZSA-N 324.381 -0.679 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCCN(Cc2nc(=O)n(C)[nH]2)CC1 1198337348 NTNSYUROHSKAJA-LBPRGKRZSA-N 323.397 -0.266 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)Cc2c(C)n[nH]c2C)C1 1198542241 KGHCDDNKEFFKOP-HUUCEWRRSA-N 320.393 -0.620 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(Cc2noc(CC)n2)C[C@H]1O 1199284882 ZNGATJIFIRTZHG-VXGBXAGGSA-N 324.381 -0.114 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2csnn2)C[C@H]1O 1199312460 GBLCCKPHRUWISQ-MVWJERBFSA-N 312.395 -0.210 30 20 DBED C[C@H](C#N)C(=O)N1CCCO[C@@H](CNCC(=O)N2CCC2)C1 1200114592 GAQMLSGQBWNYKU-OLZOCXBDSA-N 308.382 -0.415 30 20 DBED CO[C@@H](C(=O)N1CCCO[C@@H](CNCC#N)C1)c1cnn(C)c1 1201079290 HSUWQGKALAFVTP-UONOGXRCSA-N 321.381 -0.162 30 20 DBED C#CCNC[C@H]1CN(C(=O)[C@]2(C)CCC(=O)NC2)CCCO1 1201225464 JPHSXMRETDOGJW-XJKSGUPXSA-N 307.394 -0.257 30 20 DBED C#CCCN[C@H]1C[C@H](NC(=O)c2nnc(O)nc2O)C12CCC2 1203131805 MUXDYVKPKWMHGZ-UWVGGRQHSA-N 317.349 -0.063 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)c2[nH]cnc2CC)CC1 1203533718 OAMATLBYNATKGT-UHFFFAOYSA-N 317.393 -0.084 30 20 DBED COCC#CCN1C[C@@H](NC(=O)[C@H]2CN(C)C(=O)N2)[C@H](C)C1 1208298345 KKSFHLGBPPVXFM-JHJVBQTASA-N 308.382 -0.904 30 20 DBED C#CCCN[C@H]1CCCN(C(=O)CCc2nnc(O)nc2O)C1 1208486051 BFCHSLRVJMBHON-NSHDSACASA-N 319.365 -0.181 30 20 DBED C=CCCN[C@H]1CCCN(C(=O)C[C@H](NC(C)=O)C(N)=O)C1 1209963064 FEZXCGLQLGRMTI-STQMWFEESA-N 310.398 -0.477 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)C[C@H]2C=CCC2)[C@H](OC)C1 1211822740 KVCQIAYRXGYCNY-RRFJBIMHSA-N 319.405 -0.093 30 20 DBED C=CCCO[C@H](C)C(=O)N[C@@H]1CN(CC(=O)NCC)C[C@@H]1O 1219324686 XVUPKHRIJLSSMD-UPJWGTAASA-N 313.398 -0.735 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2cncc(C)c2)C1 1219409410 HHXNPQKOCUZBID-KGLIPLIRSA-N 318.377 -0.533 30 20 DBED N#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C[C@H]2CC=CCC2)C1 1220139149 IGZJNEMHDQVMJO-MJBXVCDLSA-N 320.393 -0.466 30 20 DBED CCCC1(C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@@H]2O)CC1 1220310323 AFIUSTCPPKOMFW-NEPJUHHUSA-N 308.382 -0.632 30 20 DBED C=CCNC(=O)CN1CC[C@@H]2CN(C(=O)[C@@H]3COCCO3)[C@@H]2C1 1221284089 OKZDQYDYVQRGTM-MCIONIFRSA-N 323.393 -0.763 30 20 DBED N#CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3ncccn3)[C@@H]2C1 1221885582 OAMNCMHFYKHEBV-VXGBXAGGSA-N 314.349 -0.737 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1CCN(CC(=O)NCC#N)CC1 1222975896 YIOOWBZCQHRRBO-MRXNPFEDSA-N 322.409 -0.219 30 20 DBED COCC#CCN1CC[C@@H]2CCN(C(=O)[C@@H]3CCC(=O)N3)C[C@@H]21 1223932992 VJBZMQKJQYNWNV-ILXRZTDVSA-N 319.405 -0.162 30 20 DBED N#CCNC(=O)CN1CCC(NC(=O)[C@H]2C[C@@]23CCOC3)CC1 1229927751 YIKMGPNGGUPPIJ-CZUORRHYSA-N 320.393 -0.367 30 20 DBED COCC1(CC(=O)N(C)C[C@H]2CCN2CC(=O)NCC#N)CC1 1234235527 PEQVRUKZIDUPIS-CYBMUJFWSA-N 322.409 -0.024 30 20 DBED C[C@@H](O)C[C@H]1COCCN1C(=O)C(=O)N[C@@H]1CC[C@H](C#N)C1 1261449629 HEKWEODNCGEGHB-XQHKEYJVSA-N 309.366 -0.207 30 20 DBED C#CCOCCC(=O)N1CC2(CCCN(C[C@H](O)COC)C2)C1 1282965668 URRHCTXJDXAFSM-HNNXBMFYSA-N 324.421 -0.042 30 20 DBED N#CCN(CC#N)C(=O)CSCC(=O)N(CC#N)CC#N 1318354034 TZMLRWLWCCFLCX-UHFFFAOYSA-N 304.335 -0.529 30 20 DBED C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)Nc1cnn(CC#N)c1 1319439340 NUYHCABYGIZVOR-ZWNOBZJWSA-N 316.365 -0.056 30 20 DBED COC(=O)[C@@H](NC(=O)CCN/C(O)=C1\N=CC=CC1=O)C1CC1 1319474890 OGWDSHCHLQLTLT-FWJVZWRSSA-N 321.333 -0.029 30 20 DBED C=CCNC(=O)[C@@H](C)S(=O)(=O)c1nnc(CO)n1C1CC1 1325860290 KQZOKCZXTIZZGM-MRVPVSSYSA-N 314.367 -0.430 30 20 DBED C=CCNC[C@H]1CCCCN1C(=O)Cn1cnc(C(N)=O)n1 1326713660 JCRNUJMVHNHFNY-LLVKDONJSA-N 306.370 -0.466 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N[C@@H]1CCOC[C@@H]1OCC 1326818746 XSKMZIASBBWESE-KGLIPLIRSA-N 306.362 -0.218 30 20 DBED N#Cc1cccc(NC(=O)C(=O)N[C@H]2CCCCNC2=O)n1 1328204572 GITSDTDRLMWJMD-JTQLQIEISA-N 301.306 -0.323 30 20 DBED CC#CC[C@H](CO)NC(=O)C(=O)Nc1ccn(CCC#N)n1 1329304691 XUBWUHVQRVUSTQ-LLVKDONJSA-N 303.322 -0.374 30 20 DBED C#C[C@@H](NC(=O)C(=O)N1CCC[C@@H](C(=O)O)C1)[C@@H]1CCCO1 1331049180 PUDGHEURVKOSJA-UTUOFQBUSA-N 308.334 -0.393 30 20 DBED C=C(C)COCCNC(=O)C(=O)N(C)CC(=O)N1CCCC1 1334167234 SWMNCVGCRJMRGL-UHFFFAOYSA-N 311.382 -0.224 30 20 DBED C=CCN(CCOC)c1nnnn1CCC(=O)N1CCOCC1 1335279558 PAYSBXJFHGDYOM-UHFFFAOYSA-N 324.385 -0.439 30 20 DBED C#CCN(CC)c1nnc(-c2cn(C)c(=O)n(C)c2=O)n1CC 1339605555 AUEYNMVIYACTTP-UHFFFAOYSA-N 316.365 -0.178 30 20 DBED COC[C@@](C)(C#N)NC(=O)c1ccc(CNS(C)(=O)=O)o1 1340750773 NGMLQJITRUSBKH-GFCCVEGCSA-N 315.351 -0.013 30 20 DBED CC[C@H](CNS(C)(=O)=O)NC(=O)[C@@H](C)n1cnc(C#N)n1 1361559633 ICMUQILWJWBMLU-RKDXNWHRSA-N 314.371 -0.845 30 20 DBED CN(C)C[C@H]1CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)C1 1362343824 VCXMMSZCCCWRNG-LLVKDONJSA-N 319.365 -0.379 30 20 DBED CN(C)CC(C)(C)NC(=O)CCn1cc(C#N)c(O)nc1=O 1362516910 UPIHIRGVIAICPR-UHFFFAOYSA-N 307.354 -0.333 30 20 DBED COc1ncccc1C(=O)NCCn1cc(C#N)c(O)nc1=O 1363128984 PGLWDCCKSWNUJG-UHFFFAOYSA-N 315.289 -0.346 30 20 DBED CCn1nccc1CNC(=O)Cn1cc(C#N)c(O)nc1=O 1363493805 YIRRMJLTALKMMW-UHFFFAOYSA-N 302.294 -0.647 30 20 DBED CN(C)c1nc(N)nc(C(=O)N2CCN(CCC#N)CC2)n1 1363520530 YCJRJFQCKOEGKU-UHFFFAOYSA-N 304.358 -0.809 30 20 DBED CCN(CCC#N)C(=O)CN(C)CCNC(=O)c1ncn(C)n1 1366527672 MMEOUTVIZHWVPS-UHFFFAOYSA-N 321.385 -0.761 30 20 DBED CC(=O)NCC(=O)N1CCC(N(CCO)C(=O)[C@H](C)C#N)CC1 1371832982 MNLUZFODAUFQTO-LLVKDONJSA-N 324.381 -0.906 30 20 DBED C[C@H](C#N)C(=O)N1CCN(CCNC(=O)[C@H]2CCCN2C)CC1 1372208478 JGUIWDYLOBHKLL-ZIAGYGMSSA-N 321.425 -0.499 30 20 DBED COC(=O)NCC(=O)N1CCC[C@H](N(C)C(=O)[C@@H](C)C#N)C1 1373205187 LZSSASVTDCVWCG-QWRGUYRKSA-N 310.354 -0.049 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](C)CN(C)C(=O)CCCS(N)(=O)=O 1383808311 CWGOKFWZVQKSHG-VHSXEESVSA-N 318.399 -0.822 30 20 DBED C[C@@H](CNC(=O)c1ccc(C#N)[nH]1)NC(=O)CCc1cnn[nH]1 1386226060 RNINSUZLONMQQP-VIFPVBQESA-N 315.337 -0.128 30 20 DBED C[C@H](C#N)C(=O)N(C)CC(C)(C)CNC(=O)CCn1cnnn1 1395021458 RNJCGIAIKYYEBX-LLVKDONJSA-N 321.385 -0.176 30 20 DBED CC(=O)N(C)CC(=O)NC[C@@H](C)NC(=O)c1c[nH]c(C#N)c1 1397382974 ZONIHSBXYOTJMU-SECBINFHSA-N 305.338 -0.401 30 20 DBED N#CC1(C(=O)N2CCC[C@H](CS(N)(=O)=O)C2)CCOCC1 1412053601 WKUFSDTZXRZGRT-NSHDSACASA-N 315.395 -0.166 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@H]1C[C@H](C)OC1=O 1413355731 NDBSQCWANYHQFW-UWVGGRQHSA-N 305.356 -0.613 30 20 DBED CCn1[nH]nnc1=NC(=O)N1CCC(C#N)(C(=O)OC)CC1 1414446391 LTHJPOCHSGYIOB-UHFFFAOYSA-N 307.314 -0.574 30 20 DBED C[C@H](C(=O)N[C@@H](CC(N)=O)C1CCOCC1)n1cnc(C#N)n1 1416148277 SAASVMPSBBWZSH-KOLCDFICSA-N 320.353 -0.502 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](C)CNC(=O)c1cccc(C(N)=O)n1 1416474057 OJWIUGGQIHOLIE-ZJUUUORDSA-N 317.349 -0.178 30 20 DBED CN(C(=O)c1cn(C[C@H]2CNC(=O)O2)nn1)C1(C#N)CCC1 1416922653 WGAXBHWSCUIVIQ-SECBINFHSA-N 304.310 -0.095 30 20 DBED CCn1nc(C(=O)NCC2(NC(=O)[C@@H](C)C#N)CC2)ccc1=O 1417182296 GMDXYYSXRWYECL-JTQLQIEISA-N 317.349 -0.199 30 20 DBED CNC(=O)C[C@H](C)NC(=O)CNC(=O)c1ccc(C#N)cc1 1417869205 DZFDMVOHXWNPKW-JTQLQIEISA-N 302.334 -0.071 30 20 DBED Cc1c[nH]nc1C(=O)N1CCN(CCNC(=O)[C@H](C)C#N)CC1 1429800208 PGJVGSQPHBWPQS-LLVKDONJSA-N 318.381 -0.248 30 20 DBED CCN1CCO[C@@H](C(=O)N(C)CCN(C)C(=O)[C@@H](C)C#N)C1 1433182391 TXNIRGIWNJMJGM-QWHCGFSZSA-N 310.398 -0.216 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H](CNC(=O)CS(C)(=O)=O)C1 1447601622 NNYWKALFAMMFDU-QWRGUYRKSA-N 315.395 -0.455 30 20 DBED C[C@H](C#N)C(=O)NC1CN(C(=O)[C@H](NC(N)=O)C(C)(C)C)C1 1450501240 WDBHEKRAJZNUBD-SCZZXKLOSA-N 309.370 -0.444 30 20 DBED C[C@H](CN(C)C(=O)c1cnn(C)n1)NC(=O)c1c[nH]c(C#N)c1 1451140912 SCAKFJNGEAERIS-SECBINFHSA-N 315.337 -0.095 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@](C)(NC(=O)CS(C)(=O)=O)C1CC1 1451266547 TXXRNQNRWQNHKA-TVQRCGJNSA-N 315.395 -0.408 30 20 DBED CC(C)[C@@H](O)C(=O)N1CCN(CCN(C)C(=O)[C@H](C)C#N)CC1 1456073195 RJJFTLPFAAJUGH-ZIAGYGMSSA-N 324.425 -0.234 30 20 DBED C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)N2CC(C#N)C2)cc1 1468496445 OBVUFJRNMGUGAH-JTQLQIEISA-N 323.374 -0.059 30 20 DBED Cn1c(=O)[nH]c(N[C@@H]2CCO[C@]3(CCOC3)C2)c(C#N)c1=O 1472744441 RDLVVFRILYBUTG-YMTOWFKASA-N 306.322 -0.305 30 20 DBED N#Cc1ncccc1S(=O)(=O)N[C@@H](C(N)=O)c1ccccn1 1475326004 OXZKVGSEYUIZDN-GFCCVEGCSA-N 317.330 -0.147 30 20 DBED N#CCNC(=O)CN[C@H]1CCN(C(=O)CCc2cn[nH]c2)C1 1480621192 MKGJGEABCNTHME-LBPRGKRZSA-N 304.354 -0.827 30 20 DBED CO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1NC(=O)CNC(=O)C1CC1 1489508212 PWNPISJOAMJFKA-YUSALJHKSA-N 322.365 -0.986 30 20 DBED CCN(CCNC(=O)c1cc(C#N)c[nH]1)C(=O)CNC(C)=O 1528798923 GTWVDOWMAFYZCH-UHFFFAOYSA-N 305.338 -0.399 30 20 DBED CCCN(CCNC(=O)[C@@H](C)C#N)C(=O)[C@@H](C)S(C)(=O)=O 1529652750 XZKNRWMIOQZRKQ-WDEREUQCSA-N 317.411 -0.066 30 20 DBED C[C@@H]1CN(c2c(C#N)c(=O)n(C)c(=O)n2C)C[C@H]1CC(=O)O 1571092587 UJTDMKQUGYONQX-RKDXNWHRSA-N 306.322 -0.497 30 20 DBED C#CCNCC(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F 1574729154 ASYJNFMFTKLXCN-QMMMGPOBSA-N 315.317 -0.852 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](C)CN(C)c1ccnc(-c2nn[nH]n2)n1 1574801548 MJFPZRNHTQUWOH-DTWKUNHWSA-N 315.341 -0.243 30 20 DBED C#CCCCC(=O)NC[C@@H](C)N=c1cc[nH]c(-c2nn[nH]n2)n1 1588338758 PBFQYWNLBIVGTO-SNVBAGLBSA-N 314.353 -0.201 30 20 DBED C#C[C@@H]1COCCN1S(=O)(=O)c1csnc1C(=O)O 1588384239 ZWFUAKZEWGUEAH-SSDOTTSWSA-N 302.333 -0.136 30 20 DBED C#CCN(CC(=O)O)C(=O)[C@H]1CN(C(=O)C(C)(C)C)CCO1 1588400224 SWKJBRMEANDMBA-LLVKDONJSA-N 310.350 -0.194 30 20 DBED C#CC[C@@H](NS(=O)(=O)C[C@H](OC)C1CCOCC1)C(=O)O 1588423544 KKNJEXCYPJLHAM-NEPJUHHUSA-N 319.379 -0.176 30 20 DBED CC(C)[C@H](C)NC(=O)Cn1c(=O)c(C#N)cn(CC(=O)O)c1=O 1588815302 KOOSASCWDBNRDU-VIFPVBQESA-N 322.321 -0.873 30 20 DBED N#CCn1cc(NS(=O)(=O)c2ccc(-c3nn[nH]n3)o2)cn1 1592680687 DOBNFJLWWVOWPM-UHFFFAOYSA-N 320.294 -0.019 30 20 DBED N#CCCCS(=O)(=O)NC1(C(=O)O)CCS(=O)(=O)CC1 1601067370 UVINHTAPTDCCNO-UHFFFAOYSA-N 324.380 -0.758 30 20 DBED C[C@H]1C[C@H](CO)CN(c2cnc(-c3nn[nH]n3)c(C#N)n2)C1 1603850959 OIGRDRHCBDETKU-IUCAKERBSA-N 300.326 -0.017 30 20 DBED C#CC[C@@H](NC(=O)CCCS(=O)(=O)N1CCCC1)C(=O)O 1609078909 OPLSMTOCKVBEFA-LLVKDONJSA-N 316.379 -0.215 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)c2c[nH]c(C(N)=O)c2)C1 1731375733 SEKZHLSELBOAEI-LLVKDONJSA-N 319.365 -0.780 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC[C@H](NC(=O)Cc2cc[nH]n2)C1 1732091197 XBOJPUVALDZYAA-OCCSQVGLSA-N 317.393 -0.329 30 20 DBED C#CCN(C(=O)[C@@H](C)OC)C1CCN(C[C@@H](O)COC)CC1 1733364355 CVXZDZPXDZFMLD-UKRRQHHQSA-N 312.410 -0.045 30 20 DBED CO[C@@H]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](NCC(=O)NCC#N)C1 1752640390 YQLNYMGSGPFITE-ZDEQEGDKSA-N 308.382 -0.322 30 20 DBED CCN(CC#CCOC)CCNC(=O)[C@]1(CC)CCNC1=O 1753083331 AIHHTGIHRAETMV-MRXNPFEDSA-N 309.410 -0.009 30 20 DBED Cc1ncc(CC(=O)NC[C@@H]2CCCN2CC(=O)NCC#N)o1 1753107055 XGOXPPWZPGBRSB-LBPRGKRZSA-N 319.365 -0.254 30 20 DBED N#CCNC(=O)CN1CC[C@@H](CCNC(=O)C2=COCCO2)C1 1753322145 SRIIXLVNVSUWJD-GFCCVEGCSA-N 322.365 -0.657 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C[C@H]1CN2C(=O)CN1CC[C@@H](C)C1 1753424630 FNZAXBXRDQBGHC-ILXRZTDVSA-N 318.421 -0.637 30 20 DBED C=CCNC(=O)CNC[C@@H](C)N(C)C(=O)c1ccnc(OC)n1 1753701851 SJTFLPUUOHKSED-LLVKDONJSA-N 321.381 -0.163 30 20 DBED C#CCNC(=O)CNC[C@H](CC(C)C)NC(=O)[C@@H]1[C@H]2COC[C@H]21 1753739019 UVWLUIZVKSRGJK-TTZDDIAXSA-N 321.421 -0.251 30 20 DBED COCC#CCN[C@H](CNC(=O)c1ccc(=O)n(C)n1)C(C)C 1753843946 VUHHNVXRUAPVHQ-CQSZACIVSA-N 320.393 -0.226 30 20 DBED N#CCNC(=O)CNC[C@@H]1CCC[C@H]1NC(=O)CC1(O)CCC1 1753884663 LFHBJUMSCLJGHM-QWHCGFSZSA-N 322.409 -0.194 30 20 DBED C=CCCNCC[C@H](C)NC(=O)Cn1ncn2nccc2c1=O 1754007256 IPUCJYIOALMFLV-LBPRGKRZSA-N 318.381 -0.049 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC[C@H]1CNC(=O)c1[nH]nnc1C 1754490760 VWHPAMOUJUVTHW-MNOVXSKESA-N 306.370 -0.392 30 20 DBED C#CCNC(=O)[C@@H](C)NC1(CNC(=O)C2CCC(O)CC2)CC1 1754513345 PKVXOLUUUQFGTK-IYXRBSQSSA-N 321.421 -0.086 30 20 DBED C#CCNC(=O)CNCCN(CCO)C(=O)c1ccc(F)cc1 1754875470 QCIUOBCFJOULJW-UHFFFAOYSA-N 321.352 -0.401 30 20 DBED C#CCNC(=O)CN[C@@]1(CO)CCCN(C(=O)C#CC(C)C)C1 1755084009 DFMKSWOPFAZOLH-KRWDZBQOSA-N 319.405 -0.662 30 20 DBED C#CCNC(=O)CN[C@@]1(CO)CCCN(C(=O)/C(C)=C/C)C1 1755084824 UKFDEEMWNRXANS-RBBXRFMQSA-N 307.394 -0.355 30 20 DBED C#CCNC(=O)CN[C@H]1CN(C(=O)c2oncc2C)C[C@H]1C 1755118426 HYEXEITUNKNKFB-NEPJUHHUSA-N 304.350 -0.217 30 20 DBED C[C@H]1CN(C(=O)CS(=O)(=O)NC(C)(C)C)C[C@H]1NCC#N 1755121869 MNLWZRSFGCIYJF-WDEREUQCSA-N 316.427 -0.336 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@@H](C)CNC(=O)c1ccnc(C)n1 1755326701 VLMSEYOVKQLURI-RYUDHWBXSA-N 317.393 -0.027 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@H]1[C@@H]2CN(Cc3nnn(C)n3)C[C@H]12 1755419734 HRDFQNBXTXZWQL-OHTBPHCPSA-N 320.397 -0.669 30 20 DBED C#CCCNC[C@H](C1CC1)N(C)C(=O)[C@H]1CCS(=O)(=O)N1 1755573983 WOAGTPCBCKAZDA-CHWSQXEVSA-N 313.423 -0.472 30 20 DBED C[C@@H]1C[C@H](NCC(=O)NCC#N)CN1C(=O)c1cc[n+]([O-])cc1 1755670173 QCPOWIYDRMKAHT-YPMHNXCESA-N 317.349 -0.848 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@H](O)CN(C)C(=O)c1cccs1 1755771443 LZVYHGIJVBKOIS-NEPJUHHUSA-N 323.418 -0.092 30 20 DBED C=CCOCC(=O)NC[C@@H](O)CN(C)C(=O)[C@H]1CCN(C)C1 1756664082 YPMPAVYSWQNPEJ-QWHCGFSZSA-N 313.398 -0.924 30 20 DBED C=CC[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)C(O)O)CCO2)C1 1783109549 SKAOBWUTKPBUAJ-ABAIWWIYSA-N 312.366 -0.661 30 20 DBED CC(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1795159770 PUPZCPKHIKXMEK-GNXNZQSNSA-N 322.361 -0.290 30 20 DBED Cc1nn[nH]c1C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1843161693 HMOSXVYDDOGEJL-UHFFFAOYSA-N 317.305 -0.982 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)[C@@H](N)CN)C1 1843348205 RRXOHHGTLRRGCI-RYUDHWBXSA-N 310.398 -0.933 30 20 DBED C=CC[C@H](C)C(=O)N1CCCC12CN(C(=O)CNC(=N)N)C2 1845978470 ASTDODMWEMPAMV-NSHDSACASA-N 307.398 -0.115 30 20 DBED CN(CC(=O)/N=C1/NCCS1)S(=O)(=O)c1cccnc1 41749328 GGQMQPCTCJMTTG-UHFFFAOYSA-N 314.392 -0.079 30 20 DBED CCN(C[C@H](C)C#N)C(=O)CNS(=O)(=O)c1cn(C)cn1 129453136 CCAZFJJDRVMVAT-SNVBAGLBSA-N 313.383 -0.293 30 20 DBED CNS(=O)(=O)[C@H]1CCN(CC(=O)N[C@@](C)(C#N)C(C)C)C1 156185311 NXFPOWPDHZGGDT-AAEUAGOBSA-N 316.427 -0.336 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CCC[C@H]1NS(C)(=O)=O 156235169 ZTVPNDQLFSIARQ-NWDGAFQWSA-N 302.396 -0.140 30 20 DBED C=CCn1c(SCc2cc(=O)n(C)c(=O)n2C)n[nH]c1=O 177100531 VHZVBQJSEPHMFT-UHFFFAOYSA-N 309.351 -0.553 30 20 DBED C=CCNC(=O)CNS(=O)(=O)c1cnn(CC(F)F)c1 187662530 LNVKEAJFRYSDAY-UHFFFAOYSA-N 308.310 -0.271 30 20 DBED C/N=C(/NC[C@@H]1CN2CCN1CC2)NC[C@](C)(O)c1ccco1 261665304 GLWIVUDEXYNBGR-CJNGLKHVSA-N 321.425 -0.348 30 20 DBED C/N=C(/NC[C@@H](O)C(F)(F)F)N[C@@H]1CCc2ncnn2C1 262765928 GARRXKDQXFIBNW-HTQZYQBOSA-N 306.292 -0.319 30 20 DBED CN1C[C@H](NC(=O)C(=O)Nc2ccc(C#N)cc2F)CC1=O 269374256 ZISSTJMBDZKSHZ-SECBINFHSA-N 304.281 -0.017 30 20 DBED CNS(=O)(=O)N1CCN(C(=O)c2cccc(C#N)c2)CC1 283029630 YHMGOVQPABACNC-UHFFFAOYSA-N 308.363 -0.220 30 20 DBED CN(CCC#N)C(=O)CCN(C)[C@H]1CCN(S(C)(=O)=O)C1 315023583 FVXOHLXJDGHXHQ-LBPRGKRZSA-N 316.427 -0.286 30 20 DBED C[C@H]1CN(C(O)=Nc2nccn(C)c2=O)C[C@@H]1N1CCOCC1 329399927 AXCVGQHPZUTBJU-RYUDHWBXSA-N 321.381 -0.022 30 20 DBED CN(C)C(=O)Cn1nc2n(c1=O)CCN(CC1(C#N)CC1)C2 329810171 BKMHZPPBPIPVHU-UHFFFAOYSA-N 304.354 -0.748 30 20 DBED CCN1CN(/C(O)=N/CCN2CCCS2(=O)=O)CC1=O 330037005 CXXZFIXUPASWCY-UHFFFAOYSA-N 304.372 -0.943 30 20 DBED CCN(CCC/N=C(/O)N1CCNC(=O)[C@@H]1C)S(C)(=O)=O 330649248 KWSVMYULHJSZRR-JTQLQIEISA-N 320.415 -0.608 30 20 DBED CC(C)N1CC[C@H](N/C(O)=N/[C@H](C)CS(C)(=O)=O)C1=O 330778890 BYQYECYNNVDMJC-ZJUUUORDSA-N 305.400 -0.068 30 20 DBED COCCN(CCC#N)S(=O)(=O)N(C)CC(=O)NC1CC1 336902246 CDPCOJQUWAOZPU-UHFFFAOYSA-N 318.399 -0.696 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCN(C)C(=O)[C@H]1C 337196038 WCYYVYCXHGTMLP-GHMZBOCLSA-N 302.400 -0.125 30 20 DBED C=CCNC(=O)NC(=O)CN1CCC(S(=O)(=O)NC)CC1 339486090 CKJOURCXWUSXOY-UHFFFAOYSA-N 318.399 -0.988 30 20 DBED N#CCNC(=O)CNC(=O)CCN1C(=O)c2ccccc2C1=O 344162484 PRBBJDKCRDRGBA-UHFFFAOYSA-N 314.301 -0.571 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H]2CCC[C@@]23NC(=O)NC3=O)c1 359525581 NDHRZUVNWSNRBG-YMTOWFKASA-N 301.306 -0.006 30 20 DBED C=CCN(CCOC)C(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 361079648 KWWXXROYQFRZQV-OXHZDVMGSA-N 322.361 -0.190 30 20 DBED C[C@@H](C(=O)N1CCO[C@H](C#N)C1)N1C(=O)NC2(CCCC2)C1=O 363391124 OVGADWHTSPZLAV-WDEREUQCSA-N 320.349 -0.010 30 20 DBED C=C(C)CS(=O)(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 435431862 KSYLGPYXVZPORI-LBPRGKRZSA-N 322.452 -0.303 30 20 DBED C[C@@H](CC(N)=O)Nc1ccc(C#N)c(N[C@H](C)CC(N)=O)n1 436385737 OIPREXBDLGJVJT-DTWKUNHWSA-N 304.354 0.305 30 20 DBED C#CCN(C)CCCNC(=O)NC[C@@H]1CC[C@@H](C(=O)N(C)C)O1 491804681 MOBQJVAAENWFDH-KBPBESRZSA-N 324.425 -0.124 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)CCNS(C)(=O)=O)C1=O 518474043 IVSWIYSVKIVEMV-SNVBAGLBSA-N 303.384 -0.829 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC(C)(COC)C2)C1=O 571611207 ZBTGEJQHVJBXJJ-UHFFFAOYSA-N 309.322 -0.542 30 20 DBED COCCN(C)C(=O)CNS(=O)(=O)c1cccc(C#N)c1 583410358 ISLQRAROTMYHEK-UHFFFAOYSA-N 311.363 -0.059 30 20 DBED CCCCN(C)CCNC(=O)C(=O)NC1CCN(CC#N)CC1 586848096 WSNCLNJEACZJRJ-UHFFFAOYSA-N 323.441 -0.061 30 20 DBED C[C@H](C(=O)N1CC(C#N)C1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 590485862 QERMAJBEFNGWPI-RGHQJQCBSA-N 303.318 -0.481 30 20 DBED CN1CCN(C(C)(C)CNC[C@@H](O)CN(C)CCC#N)CC1 591739257 DABHVUMJCBXZSL-OAHLLOKOSA-N 311.474 -0.192 30 20 DBED N#Cc1ccc(S(=O)(=O)NCC(=O)NC2[C@@H]3CNC[C@@H]23)cc1 592554607 JHBMVBRNUFQLJN-VXGBXAGGSA-N 320.374 -0.829 30 20 DBED C=CC[C@H](CO)CNC(=O)[C@H]1CCCN(S(N)(=O)=O)C1 613252217 DBIZYLNTZMTIMH-QWRGUYRKSA-N 305.400 -0.797 30 20 DBED CN(C)C(=O)CN1CCN(S(=O)(=O)CC2(C#N)CC2)CC1 613261755 AOZQBZWASWHGSN-UHFFFAOYSA-N 314.411 -0.674 30 20 DBED C=CC[C@@H]1CCCN(C(=O)C(=O)N2C[C@H]3C(=O)NC(=O)[C@H]3C2)C1 658811102 HDEKAHMOJZNSFN-UTUOFQBUSA-N 319.361 -0.468 30 20 DBED COCCCNC(=O)[C@H](C#N)C(=O)[C@H]1CC(=O)N(C2CC2)C1 729186856 OPRPBRNAXWIQQB-CMPLNLGQSA-N 307.350 -0.141 30 20 DBED C#CCSCCNC(=O)NCCS(=O)(=O)NC1CC1 740468796 NSPGJNROHURQJQ-UHFFFAOYSA-N 305.425 -0.266 30 20 DBED C=CCOCC(=O)OCCNS(=O)(=O)c1cnn(C)c1 744969540 YMPUUZBVZZBYCJ-UHFFFAOYSA-N 303.340 -0.556 30 20 DBED C=CCNC(=O)[C@H](C)OC(=O)c1ccc(S(N)(=O)=O)nc1 762874641 FSNKGMTWFFHCJS-QMMMGPOBSA-N 313.335 -0.424 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCn2cnnc2[C@@H]1C)[C@H]1CCCO1 809304153 FWCRJVLWEOYGKE-SDDRHHMPSA-N 317.349 -0.522 30 20 DBED C#C[C@H](NC(=O)C(=O)N(C)CCN1CCOCC1)[C@H]1CCCO1 809307257 BNPMIWNLVMBFHM-UONOGXRCSA-N 323.393 -0.926 30 20 DBED COC(=O)C[C@H](C)C(=O)NS(=O)(=O)c1cncc(C#N)c1 813982446 ZVLCLRMFLIQXFJ-QMMMGPOBSA-N 311.319 -0.043 30 20 DBED NC(=O)CNC(=S)NN=Cc1ccc(-c2nn[nH]n2)s1 822869525 YTYMJQFVKAIXQN-UHFFFAOYSA-N 310.368 -0.789 30 20 DBED C#CCN(CC(=O)NCC1(CO)COC1)C(=O)OC(C)(C)C 830748998 PLGVDAMDSGVYEE-UHFFFAOYSA-N 312.366 -0.018 30 20 DBED C#CCCS(=O)(=O)N1C[C@H](C(=O)OCC)C2(COC2)C1 831705018 QEHQGCRFSZSQTR-LLVKDONJSA-N 301.364 -0.149 30 20 DBED C=CCS(=O)(=O)CCNS(=O)(=O)c1c[nH]c(C(=O)O)c1 833378951 YRHLRNZPXKNNLI-UHFFFAOYSA-N 322.364 -0.408 30 20 DBED C#CCn1cc(CNC(=O)[C@H]2CCCN2S(C)(=O)=O)cn1 834606771 TZVLLDKQLMEEMB-GFCCVEGCSA-N 310.379 -0.444 30 20 DBED Cn1cc(S(=O)(=O)NCC(=O)OCC2(CC#N)CC2)cn1 849689319 UEBVUIDVJBRWPZ-UHFFFAOYSA-N 312.351 -0.065 30 20 DBED C#CCN(C)CCCNC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 861837926 LRVSGEHPPMSKEB-ZDUSSCGKSA-N 315.439 -0.271 30 20 DBED C#C[C@H](NC(=O)N[C@H]1CS(=O)(=O)C[C@H]1C)[C@@H]1CCCO1 884275924 ZYSHLVFNQVRCQM-RHYQMDGZSA-N 300.380 -0.101 30 20 DBED C#CCSCC(=O)N1CCCC[C@H]1CNS(N)(=O)=O 909151127 WPNCCEPKVNRVSF-JTQLQIEISA-N 305.425 -0.473 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2coc(C=O)c2)CC1 931879744 NTXVCEIWHSUQDZ-UHFFFAOYSA-N 303.318 -0.401 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)Cn3cncn3)C2)nc1 936154846 RNUARHLNNDBDJQ-CYBMUJFWSA-N 324.344 -0.315 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)c3ncn(C)n3)C2)cn1 938375803 VVUMOHNRCXDIQX-ZDUSSCGKSA-N 324.344 -0.164 30 20 DBED CN1CCOC[C@@H]1C(=O)N[C@@H]1CCN(C(=O)C#CC2CC2)C1 940091164 OECFNIDQCLXQPT-ZIAGYGMSSA-N 305.378 -0.553 30 20 DBED Cn1cnc(C(=O)N[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)n1 940274151 KMQQWOACVOZLKO-SNVBAGLBSA-N 313.321 -0.341 30 20 DBED CCN1C[C@@H](C(=O)N[C@@H]2CCN(C(=O)C#CC3CC3)C2)CC1=O 940943409 RAQOTWSXVDZGSM-UONOGXRCSA-N 317.389 -0.015 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2cn(C)c(=O)nc2O)[C@@H](C)C1 944904973 AKQQGNWYQQOJQU-AAEUAGOBSA-N 318.377 -0.051 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(NC(=O)c2cc(=O)n(C)o2)CC1 948099678 WMXXVPNTAPQTTO-VIFPVBQESA-N 306.322 -0.141 30 20 DBED C#CCN1CCC[C@H](N(C)C(=O)C[C@@H]2NC(=O)NC2=O)CC1 948444534 CXSWMCQLMOHMAH-RYUDHWBXSA-N 306.366 -0.469 30 20 DBED CNC(=O)[C@H](C)N1CCOC2(CCN(C(=O)[C@@H](C)C#N)CC2)C1 949319879 DDTKFLLIBXFMCT-STQMWFEESA-N 322.409 -0.026 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2CCN2C(=O)Cn2cnnn2)cc1 951439917 SXFNCQDRNFFDLP-CQSZACIVSA-N 324.344 -0.315 30 20 DBED CN(C(=O)c1ccc(C#N)[nH]1)C1CN(C(=O)[C@H]2COC(=O)N2)C1 954079911 LYRWGBGISAPMIM-LLVKDONJSA-N 317.305 -0.722 30 20 DBED C=CCN1C[C@@H](O)[C@@H](CNC(=O)c2cn3cccnc3n2)C1 958213776 APEIELYSIYXVOP-WCQYABFASA-N 301.350 -0.062 30 20 DBED Cc1cc(C(=O)N(C)[C@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)ncn1 958824967 ORJPLPSQNBAOGB-XDTLVQLUSA-N 317.349 -0.412 30 20 DBED O=C1N[C@H](C(=O)N2C[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]3C2)CO1 961491466 QXIQTCLIXHBBPS-XQQFMLRXSA-N 317.345 -0.575 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CN(C(=O)Cn3ccnc3)C[C@H]2C1 961852445 KIOBOWYWZIMKOF-UPJWGTAASA-N 301.350 -0.040 30 20 DBED O=C(C#CC1CC1)N1CCOC2(C1)CN(C(=O)c1ncc[nH]1)C2 965375590 SZIROJRYWBKFLK-UHFFFAOYSA-N 314.345 -0.124 30 20 DBED Cc1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)ccn1 969984162 GAIALKHSSQXJTK-BIMULSAOSA-N 302.334 -0.149 30 20 DBED C#CCN1CC([C@@H](C)NC(=O)c2cn([C@@H]3CCOC3)nn2)C1 970712602 ZEJYPYPHBDADJI-DGCLKSJQSA-N 303.366 -0.077 30 20 DBED C=CCN1CC[C@@H](N(C)[C@H]2CCN(C(=O)CC(N)=O)C2)C1=O 971238075 CSVSCUQRJIYICA-NWDGAFQWSA-N 308.382 -0.819 30 20 DBED C=C(C)CN(C)[C@H]1CCN(C(=O)CN2CCN(C)C(=O)C2)C1 971818775 QVBJACLQSAUIOD-AWEZNQCLSA-N 308.426 -0.131 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](CNC(=O)c2c[nH]c(C(N)=O)c2)C1 983219686 CYYCVZLLERFKIJ-VHSXEESVSA-N 317.349 -0.148 30 20 DBED C=CCn1cccc1C(=O)N1CC(NC(=O)Cn2ncnn2)C1 991878741 IGYZRFOENLCGLA-UHFFFAOYSA-N 315.337 -0.699 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H](OC)C2CC2)C1 994752576 SNCWKGFEEGNJHH-GJZGRUSLSA-N 319.405 -0.164 30 20 DBED N#Cc1cc(C(=O)N[C@H]2CCCN([C@H]3CCNC3=O)C2)c[nH]1 1007159350 YMTYLUODRNKFQB-AAEUAGOBSA-N 301.350 -0.031 30 20 DBED C#CCN1CCC[C@H](NC(=O)[C@@H]2CCc3nnc(O)n3C2)C1 1007686425 KJVCYXFRTGJDTP-NEPJUHHUSA-N 303.366 -0.240 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2C(CNC(=O)c3c[nH]c(=O)cn3)[C@H]2C1 1009438960 OKUKVZZVXNJFCN-FBIMIBRVSA-N 315.333 -0.636 30 20 DBED CC(C)c1nnnn1CC(=O)N1CCN(C(=O)[C@@H](C)C#N)CC1 1011189023 USFSTGRFSWDNFE-NSHDSACASA-N 319.369 -0.373 30 20 DBED C=C(C)C(C)(C)C(=O)N1C[C@H]2C(NC(=O)c3nnn(C)n3)[C@@H]2C1 1013595898 JQJBRBFQVNTAAR-NXEZZACHSA-N 318.381 -0.001 30 20 DBED C[C@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCCN1C(=O)CC(N)=O 1014887321 YTVKPEYTTVSVAN-CABZTGNLSA-N 317.349 -0.129 30 20 DBED C=CCN1CC[C@H](N(C)C[C@@H]2CCCN(C(=O)C(N)=O)C2)C1=O 1017199351 HRMIRODUXKMNKV-STQMWFEESA-N 322.409 -0.571 30 20 DBED C=CCN1CCC[C@H](CNC(=O)[C@H]2CCS(=O)(=O)N2)C1 1023753413 FJJPLOOEYUIMRS-VXGBXAGGSA-N 301.412 -0.308 30 20 DBED N#CCNC1CCC(NC(=O)[C@@H]2Cc3cncn3C(=O)N2)CC1 1026533391 ZSDUFYMVFCBVKX-XIVSLSHWSA-N 316.365 -0.094 30 20 DBED C=CCN1CC[C@H](N2CC(CNC(=O)[C@@H]3CCN(C)C3)C2)C1=O 1032186360 OYLDQZDWPFMGHD-CABCVRRESA-N 320.437 -0.227 30 20 DBED C#CCCN1CC[C@H](N(C)C(=O)CN2CCN(C)C(=O)C2)C1 1033211275 IWKAYLXMEAJEDL-AWEZNQCLSA-N 306.410 -0.684 30 20 DBED C=CCCN1CC[C@@H](N(C)C(=O)[C@H]2CCS(=O)(=O)N2)C1 1033676832 ZJOCDNWRSXTZKT-VXGBXAGGSA-N 301.412 -0.213 30 20 DBED C=CCN1CCO[C@H](CNC(=O)[C@@H]2CN(C(C)=O)CCO2)C1 1035593776 ZYMNCYCRUDKTRT-KGLIPLIRSA-N 311.382 -0.763 30 20 DBED CC#CCN1CCO[C@H](CNC(=O)c2cnn(CCOC)c2)C1 1035597127 UZCMTMBWHCVAKN-OAHLLOKOSA-N 320.393 -0.017 30 20 DBED C#CCN1CC[C@H]1CNC(=O)c1nc(C)n(-c2nc[nH]n2)n1 1038574891 IDLVPCTUQJFZAQ-JTQLQIEISA-N 300.326 -0.869 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@]1(O)CCN(C(=O)c2cn[nH]c2)C1 1039576271 ONWLUPKRYRGDMB-LSDHHAIUSA-N 322.365 -0.570 30 20 DBED O=C(C#CC1CC1)NC[C@@]1(O)CCN(C(=O)[C@@H]2CCCOC2)C1 1039676774 AKBCGTMVYVCHDN-PBHICJAKSA-N 320.389 -0.094 30 20 DBED C#CCOCCC(=O)N1CC[C@@](O)(CNC(=O)CCCF)C1 1040569007 QDWIMXHPDYHQCR-OAHLLOKOSA-N 314.357 -0.144 30 20 DBED C[C@@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)c2nccs2)C1 1040760023 LLRYQNAIEBLASY-TVQRCGJNSA-N 308.363 -0.004 30 20 DBED C[C@@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)c2cnn(C)c2)C1 1040764808 ZHHKVCBTJXKINI-IINYFYTJSA-N 305.338 -0.727 30 20 DBED Cc1nc(C(=O)N[C@@H]2CN(c3nccnc3C#N)C[C@H]2O)co1 1040990239 ODQNSRCECWGGQI-ZYHUDNBSSA-N 314.305 -0.376 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)Cn2cccn2)C1 1041464099 GMHXTDBTOVPDTQ-LBPRGKRZSA-N 322.365 -0.836 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)C2(COC)CC2)C1 1042052924 WNMXRYCMFFFEPN-UHFFFAOYSA-N 312.366 -0.695 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCO[C@H]2C)C1 1042800028 ZKIGYACRRUCZPY-QWHCGFSZSA-N 308.378 -0.096 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(O)CN(C(=O)[C@H](C)OC)C1 1042807742 YHONCMGEVZKUNN-GWCFXTLKSA-N 300.355 -0.962 30 20 DBED C=CCCCC(=O)N1CC(O)(CNC(=O)[C@H]2COC(=O)N2)C1 1042862882 OJVHWVVSWKBUTP-SNVBAGLBSA-N 311.338 -0.859 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)[C@H](C)OCC)C1 1043036899 TVIBDORGNSHNON-NEPJUHHUSA-N 312.366 -0.861 30 20 DBED C=CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)COCC)C1 1043568806 OLJVYKYYVSUFIN-NSHDSACASA-N 300.355 -0.697 30 20 DBED N#Cc1cnccc1N1C[C@H](O)[C@H](NC(=O)Cc2cnoc2)C1 1044411080 QMKGPZQEJFDQBS-OCCSQVGLSA-N 313.317 -0.150 30 20 DBED C=CCOCCCC(=O)N1CC(O)(CNC(=O)c2nc[nH]n2)C1 1044771437 YNUDSCUGKBBINB-UHFFFAOYSA-N 323.353 -0.909 30 20 DBED C=CCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCNC2=O)C1 1045462531 JZSZOBLCAKAKCP-LLVKDONJSA-N 309.366 -0.832 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)C[C@@H]2C[C@H]2C)C1 1045757366 ACLAKAAFEZTRAY-OLZOCXBDSA-N 308.378 -0.238 30 20 DBED C=CCN1CC[C@@H](N2CCN(C(=O)c3c[nH]c(=O)cn3)CC2)C1 1046054023 GUSMHHJRBQWEKP-CYBMUJFWSA-N 317.393 -0.212 30 20 DBED C#CCN1CC[C@](C)(NC(=O)[C@H]2CC(=O)N(CCOC)C2)C1 1046367053 WTRROLCGCCNAPI-BBRMVZONSA-N 307.394 -0.305 30 20 DBED CNC(=O)[C@H](C)N1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]c(C#N)c2)C1 1047353793 LGGUYFYLHZHFKH-XDTLVQLUSA-N 319.365 -0.862 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2ccnn2C)C1 1048499925 DFRAIZGEOZEJII-STQMWFEESA-N 322.365 -0.734 30 20 DBED C=CCCC(=O)N(C)[C@H]1CN(C(=O)[C@H]2CCNC(=O)C2)C[C@@H]1O 1048510327 LFHAXZUWNBOOIH-AVGNSLFASA-N 323.393 -0.491 30 20 DBED O=C1CC[C@H](N2C[C@H]3CN(C(=O)C#CC4CC4)C[C@H]3C2)C(=O)N1 1048810568 PJEAGFLPUVPJMI-MJBXVCDLSA-N 315.373 -0.405 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)CN1C(=O)CN(C)C1=O)C2 1050748586 SUFYJBLPEAHRMM-UHFFFAOYSA-N 318.377 -0.562 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)c1cccn2nnnc12 1050932718 AGHDIKYOFVVJSR-NSHDSACASA-N 300.322 -0.812 30 20 DBED C=CCn1cccc1C(=O)NC[C@H]1COCCN1CC(N)=O 1050957502 HXOCWLMCCPCOLS-LBPRGKRZSA-N 306.366 -0.410 30 20 DBED N#CCN1CCOC[C@@H]1CNC(=O)c1nc[nH]c2nccc1-2 1051006081 JLWQVFMDFZIFSK-JTQLQIEISA-N 300.322 -0.136 30 20 DBED C=CCCn1cc(C(=O)NC[C@@H]2COCCN2CCO)nn1 1051157130 HWZFOXRBGUGZSO-GFCCVEGCSA-N 309.370 -0.723 30 20 DBED N#CCN1CCOC[C@@H]1CNC(=O)c1ccc(C(N)=O)s1 1051167519 VNJKQIHTUITPLH-VIFPVBQESA-N 308.363 -0.199 30 20 DBED Cn1ccc(=O)c(C(=O)N[C@@H]2COC3(C2)CN(CC#N)C3)c1 1053867241 FAHXPCRMYMTRBR-NSHDSACASA-N 302.334 -0.518 30 20 DBED C=CCCN1CC2(C[C@H](NC(=O)CN3C(=O)CCC3=O)CO2)C1 1054004325 MBJYMJQRDIIGSE-LBPRGKRZSA-N 321.377 -0.329 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)[C@@H]3CCc4nncn4C3)CO2)C1 1054016514 DOMGTTNJFVZJCL-NEPJUHHUSA-N 316.365 -0.676 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)[C@H]3CCC(=O)N(C)C3)CO2)C1 1054018222 ZISCBJVHRARBMX-UONOGXRCSA-N 319.405 -0.162 30 20 DBED N#Cc1cccnc1N1C[C@H]2C(NC(=O)[C@@H]3CCC(=O)N3)[C@@H]2C1 1056261607 FSRHUTHFUQBCLS-UTUOFQBUSA-N 311.345 -0.217 30 20 DBED N#Cc1cccnc1N1C[C@H]2C(NC(=O)[C@@H]3CNC(=O)N3)[C@@H]2C1 1056393019 QHRMUUDUSMYGKT-MXWKQRLJSA-N 312.333 -0.815 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](Nc2ncnc3c2nnn3C)C1 1056587679 OBMOYUOOHVGMKC-RKDXNWHRSA-N 300.326 -0.069 30 20 DBED C=CCO[C@H](C)C(=O)NCCN(CCO)C(=O)[C@@H]1CCCO1 1056898096 NNHNADZNNAEVQR-OLZOCXBDSA-N 314.382 -0.306 30 20 DBED Cc1c(C(=O)NCCN(CCO)C(=O)C#CC2CC2)nnn1C 1057531564 UMHDAFNIJSEMAS-UHFFFAOYSA-N 319.365 -0.912 30 20 DBED C#CCOCCC(=O)N(CCO)CCNC(=O)c1cocn1 1057580944 JXQCZLJYCCALJL-UHFFFAOYSA-N 309.322 -0.735 30 20 DBED C#CCO[C@H](C)C(=O)N(CCO)CCNC(=O)c1nc(C)c[nH]1 1057585031 UVNVGNAUXLDRQW-GFCCVEGCSA-N 322.365 -0.693 30 20 DBED C#CCOCCC(=O)NCCN(CCO)C(=O)c1nc(C)c[nH]1 1057707856 IDGBDBRAXUVISV-UHFFFAOYSA-N 322.365 -0.691 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)[C@@H](C)NC(=O)CC 1057847133 AFIBESAZDDRRNO-GFCCVEGCSA-N 313.398 -0.196 30 20 DBED CN1CC[C@@H](C(=O)N2CC[C@H](Nc3nccnc3C#N)C2)C1=O 1059031949 OAXRMIZFVAPRFN-WDEREUQCSA-N 314.349 -0.161 30 20 DBED N#Cc1nccnc1N[C@H]1C[C@@H](NC(=O)[C@H]2COCCO2)C1 1059563586 GFBWJVLWRBSWBB-JFGNBEQYSA-N 303.322 -0.177 30 20 DBED N#Cc1nc(=NC[C@H]2CCCCN2C(=O)c2nc[nH]n2)cc[nH]1 1060263992 FITYBZDWUYKBHW-SNVBAGLBSA-N 312.337 -0.005 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCN(C(=O)CCNC(N)=O)CC2)C1 1061112792 LLCARMPMOSWIFB-NSHDSACASA-N 321.381 -0.345 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCOC[C@H]1CNC(=O)C(F)F 1061173199 RAMPISMRPVVGIZ-NOZJJQNGSA-N 306.309 -0.078 30 20 DBED C=CCCC(=O)NC[C@H]1COCCN1C(=O)CNC(=O)C1CC1 1061397441 UJHWFINNSPMEPI-ZDUSSCGKSA-N 323.393 -0.178 30 20 DBED N#Cc1cnc(N2CC[C@H](CNC(=O)[C@@H]3CCC(=O)N3)C2)cn1 1061627679 WSVGGJOODHBZRG-PWSUYJOCSA-N 314.349 -0.431 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)COCC(F)F 1061720766 SDOWAKUUMRUNEZ-VHSXEESVSA-N 319.308 -0.229 30 20 DBED CN(C(=O)Cn1ncnn1)[C@H]1CCN(c2ccnc(C#N)n2)C1 1062980920 VFDJHKVDFVMQBA-JTQLQIEISA-N 313.325 -0.928 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H]1CN(C(=O)c2ncc[nH]2)CCO1 1065124617 OZYOZRJUZJWGEY-NWDGAFQWSA-N 320.349 -0.595 30 20 DBED Cc1nccn1CC(=O)N1CCO[C@@H](CNC(=O)[C@@H](C)C#N)C1 1065171371 GUYJXQSHCRBNOI-AAEUAGOBSA-N 319.365 -0.305 30 20 DBED C[C@@]1(CN=c2cc[nH]c(C#N)n2)CCN(C(=O)CC(N)=O)C1 1065403001 MQIFWTRRODOENN-AWEZNQCLSA-N 302.338 -0.704 30 20 DBED C[C@H](C#N)C(=O)N(C)CCCN(C)C(=O)C1(NC(N)=O)CC1 1067230964 HBDNQUYXICXFKY-SNVBAGLBSA-N 309.370 -0.346 30 20 DBED C[C@H]1C[C@H](CN=c2cc[nH]cc2C#N)CN1C(=O)CC(N)=O 1068302928 LROCCKWCPCDMIK-WDEREUQCSA-N 301.350 -0.101 30 20 DBED C#CCN1CCn2ncc(CNC(=O)[C@H]3CCC(=O)NC3)c2C1 1069865423 GIKZIRAMYQCBBI-LBPRGKRZSA-N 315.377 -0.526 30 20 DBED C=C(C)CN[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@@H]1n1ccnn1 1070265447 HMQSFLWXUSDEEE-NEPJUHHUSA-N 318.381 -0.539 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCCN(C(=O)CCCOC)C1 1070478606 IOWARVHPBFXFNW-CYBMUJFWSA-N 323.393 -0.340 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CCCN(C(=O)c2ncn(C)n2)C1 1070688821 DGGCPRGGQLQSOW-NWDGAFQWSA-N 319.365 -0.426 30 20 DBED N#CCN1C[C@@H](F)C[C@@H]1c1n[nH]c(CNC(=O)c2cnon2)n1 1070735027 XDIUHRUYOYHFNT-IONNQARKSA-N 320.288 -0.274 30 20 DBED CN1CCOC[C@H]1C(=O)N1C[C@@H]2C[C@@H]3CN(CC#N)C[C@]2(C1)O3 1070789512 ASNRXCAEEMXZGI-KNCOVGOOSA-N 320.393 -0.858 30 20 DBED C[C@@H]1CN(C(=O)Cn2nccn2)C[C@]2(CCN(CC#N)C2)O1 1071173554 KAMXEMKWUPKTST-TZMCWYRMSA-N 304.354 -0.507 30 20 DBED C#CCCCC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CNC(=O)N2)C1 1071207791 KRZJNLAPTVHUIH-NEPJUHHUSA-N 306.366 -0.422 30 20 DBED C[C@@H]1CN(C(=O)Cc2nc[nH]n2)C[C@@H]1NC(=O)CSCC#N 1072777953 KIUUOMCSTRTJOB-ZJUUUORDSA-N 322.394 -0.433 30 20 DBED Cn1nnc2c1C[C@H](C(=O)N1CC3(CCN(CC#N)C3)C1)CC2 1072918160 WMXQFUPKVHINGV-GFCCVEGCSA-N 314.393 -0.022 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)c2cnn(CCOC)c2)C1 1073873539 DHROVZWAKAHYAW-OAHLLOKOSA-N 320.393 -0.017 30 20 DBED C[C@@H](CCNC(=O)c1ccc(C#N)[nH]1)NC(=O)c1nnn(C)n1 1076183332 VCVCRHDBWNGHEI-QMMMGPOBSA-N 316.325 -0.652 30 20 DBED C#CCOCCC(=O)NCC[C@H](C)NC(=O)c1cnn(C)n1 1076504052 JYFMQZQETPXFQR-NSHDSACASA-N 307.354 -0.520 30 20 DBED C=CCOCC(=O)N(CC)C1CN(C(=O)[C@H](C)NC(N)=O)C1 1079490495 RVWYDDJPCCUYAL-JTQLQIEISA-N 312.370 -0.695 30 20 DBED Cc1c[nH]nc1C(=O)N1CCC(CO)(NC(=O)[C@H](C)C#N)CC1 1080980640 ZOTVTLSEFJPWLA-SNVBAGLBSA-N 319.365 -0.039 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)Cn2cccn2)C[C@@H]1O 1081332376 FGCGDHDGZNRUAA-STQMWFEESA-N 306.366 -0.215 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)c2cnnn2CC)C[C@@H]1O 1081335067 GWMGLQDGHNOXBJ-AAEUAGOBSA-N 321.381 -0.187 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(C(=O)c2ccnnc2)C[C@@H]1O 1081475313 ZOIYJFSHAMXSDS-KBPBESRZSA-N 314.345 -0.561 30 20 DBED C=CC(C)(C)C(=O)NC[C@H]1CN(C(=O)c2cn(C)nn2)C[C@@H]1O 1081640818 RCPVKLJAAUEULX-JQWIXIFHSA-N 321.381 -0.424 30 20 DBED C#CCN1C[C@@H](NC(=O)c2nc3ncc(C)cn3n2)[C@H](OC)C1 1081833810 CZHFQDSGNOTBHN-VXGBXAGGSA-N 314.349 -0.505 30 20 DBED C#CCCCC(=O)NC[C@@H]1CCCCN1C(=O)Cn1cnnn1 1081870454 ZYKRUJKDDPPSGR-ZDUSSCGKSA-N 318.381 -0.026 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)c2cc3c([nH]2)CCOC3)C1 1083518828 SIQKNXNOKKCXLY-CABCVRRESA-N 303.362 -0.114 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)c2cn(C)c(C)cc2=O)C1 1083546673 ZQQPFUHIYTYLHE-HIFRSBDPSA-N 303.362 -0.508 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2ccnc(N3CCCC3)n2)C1 1083580654 PMLDUAGIPQKNBN-OLZOCXBDSA-N 316.365 -0.625 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)C(=O)N2CCC[C@H](C)C2)C1 1083838276 NEKOZIYCRXDDNU-MJBXVCDLSA-N 309.410 -0.018 30 20 DBED C#CCN1CC[C@@H]1CN(C)C(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 1085593934 VFYQXYCSDOTVKE-QWHCGFSZSA-N 315.377 -0.072 30 20 DBED C#CCN1CCC(C(=O)NC[C@H]2C[C@H](NCC(N)=O)C2)CC1 1086558428 OODHTWFBIRFUGT-MQMHXKEQSA-N 306.410 -0.699 30 20 DBED N#CCN1CC[C@@H]2CN(C(=O)c3nnc(O)nc3O)C[C@@H]2C1 1088028104 VOLDWQKRNQAANW-BDAKNGLRSA-N 304.310 -0.800 30 20 DBED C=CCN1C[C@@H](NC(=O)Cn2cnnn2)CC2(CCOCC2)C1 1089923752 HLJUGAZREKFESY-ZDUSSCGKSA-N 320.397 -0.154 30 20 DBED C#CCN1CC[C@H](NC(=O)Cn2cccc(C)c2=O)[C@@H](O)C1 1090266375 UTBKNNHPEYHBOM-KBPBESRZSA-N 303.362 -0.659 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2ccc(=O)n(C)c2)[C@@H](O)C1 1090392767 VINROMAERNBCIN-KGLIPLIRSA-N 303.362 -0.426 30 20 DBED CNC(=O)NCC(=O)NCC1CC(Nc2ccc(C#N)nn2)C1 1092269118 JMRUJHOUGYEIPV-UHFFFAOYSA-N 317.353 -0.416 30 20 DBED COC(=O)NCC(=O)NC1[C@H]2CN(c3ccc(C#N)nn3)C[C@H]12 1093239914 OTRWOGGJNUAWRQ-UWVGGRQHSA-N 316.321 -0.745 30 20 DBED N#Cc1cncc(N2C[C@H]3C(NC(=O)CCCC(N)=O)[C@@H]3C2)n1 1093279436 VIUOGRIRIBKJJF-GHMZBOCLSA-N 314.349 -0.445 30 20 DBED N#Cc1nc(=NCCNC(=O)[C@@H]2CCc3c[nH]nc3C2)cc[nH]1 1093669763 GVCAGZQMWOLNNL-SNVBAGLBSA-N 311.349 -0.174 30 20 DBED Cn1cnnc1COCC(=O)NCCNc1ccc(C#N)nn1 1093838268 YQUFAIUKOSINQT-UHFFFAOYSA-N 316.325 -0.778 30 20 DBED C#CCN1CC(n2cc(CNC(=O)c3coc(OC)n3)nn2)C1 1094307130 DWCIJNJMWFZJLL-UHFFFAOYSA-N 316.321 -0.305 30 20 DBED N#Cc1cnc(NCCCNC(=O)Cn2cnnn2)c(F)c1 1094314911 OUXOUANMSZSSKD-UHFFFAOYSA-N 304.289 -0.303 30 20 DBED Cn1ncc(C(=O)NCCCNc2ccc(C#N)nn2)c1N 1094374754 HXMRAODHRWSLGR-UHFFFAOYSA-N 300.326 -0.104 30 20 DBED C=CCN1CCN(C(=O)c2ncccn2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094669522 YSUUBKQWQAWCFC-NWDGAFQWSA-N 322.390 -0.414 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)c3cc(C)n(C)n3)CC2=O)C1 1094714381 VXYKKXMGXTYJJF-GFCCVEGCSA-N 315.377 -0.623 30 20 DBED C#CCCN1CC(N2C[C@@H](NC(=O)c3nc(C)c[nH]3)CC2=O)C1 1094795261 LMMFNHYKJALMEF-LBPRGKRZSA-N 315.377 -0.244 30 20 DBED N#CCN1CC(N2C[C@@H](NC(=O)c3ncccc3F)CC2=O)C1 1094802424 AIPZSRBXYJWBLE-JTQLQIEISA-N 317.324 -0.241 30 20 DBED C#CCCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C[C@@H]1NC(=O)NC1=O 1095552522 HBSBUZHZAOYVHE-RHYQMDGZSA-N 304.350 -0.671 30 20 DBED CN(C)CCOCC(=O)N[C@H]1CCN(c2ccnc(C#N)n2)C1 1096399124 AQEDHUGEYPMBSS-LBPRGKRZSA-N 318.381 -0.379 30 20 DBED CNC(=O)NC(C)(C)C(=O)NC[C@H](C)Nc1cncc(C#N)n1 1097892166 USHOAAISKQGXIY-VIFPVBQESA-N 319.369 -0.028 30 20 DBED COc1nc(C(=O)NC[C@H](C)N=c2cc[nH]c(C#N)n2)co1 1098166743 WNSHZIKPGGOJQR-QMMMGPOBSA-N 302.294 -0.003 30 20 DBED C[C@@H](CNC(=O)c1cc2n(n1)CCO2)N=c1cc[nH]c(C#N)n1 1098355289 FBHAUOYNAYJBBV-VIFPVBQESA-N 313.321 -0.411 30 20 DBED C[C@@H](CNC(=O)[C@@H](C)S(C)(=O)=O)Nc1nccnc1C#N 1098392614 HIOZJIJNUHIEAZ-DTWKUNHWSA-N 311.367 -0.302 30 20 DBED CC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C[C@H]1CC(=O)NC1=O 1098527977 MACFNJFVBBGYLM-LOWDOPEQSA-N 303.362 -0.216 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)C2=COCCC2)[C@@H](O)C1 1099726929 LGHWGYRXPSZYOP-CABCVRRESA-N 308.378 -0.118 30 20 DBED N#CCNC(=O)CN1CC[C@H](NC(=O)CCC2CC2)[C@@H](O)C1 1099751005 XJVWHTVMIDCJAT-STQMWFEESA-N 308.382 -0.632 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2cncnc2)[C@H](O)C1 1099785916 KCTTUOJVYCKUFC-UONOGXRCSA-N 304.350 -0.709 30 20 DBED C=C(Cl)CN1CC[C@@H](NC(=O)CCNC(=O)NC)[C@@H](O)C1 1099813047 JJCNJYUDEGRJFB-MNOVXSKESA-N 318.805 -0.391 30 20 DBED C#CCN1CC[C@@H](NC(=O)C2(CC#C)CCOCC2)[C@@H](O)C1 1099869270 MOCLEPQQBSBQDF-CABCVRRESA-N 304.390 -0.009 30 20 DBED C[C@@H]1C[C@H](C(=O)NCCN(C)c2ccnc(C#N)n2)CC(=O)N1 1100211296 JJRCYSSIPWHPDL-MNOVXSKESA-N 316.365 -0.185 30 20 DBED CN(CCNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ncccc1C#N 1100227221 MHAJXHHDPBVENI-GFCCVEGCSA-N 322.390 -0.060 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)c2cncn2C)C1 1100481970 YUYZDXLUPBWCJF-UHFFFAOYSA-N 303.366 -0.733 30 20 DBED COc1nc(C(=O)NCC2CC(NCC(=O)NCC#N)C2)co1 1100538358 QBIZNBGXLZRZBZ-UHFFFAOYSA-N 321.337 -0.579 30 20 DBED CCN(CCNC(=O)CCCC(N)=O)c1ccc(C#N)nn1 1100555327 MTOKRVTXYPOQPS-UHFFFAOYSA-N 304.354 -0.054 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)c2c(C)n[nH]c2C)C1 1100761190 BLNRCGQHZXMRCC-UHFFFAOYSA-N 317.393 -0.126 30 20 DBED CC(=O)NCC(=O)NC[C@@H]1CCCN1c1nccnc1C#N 1100769958 GCYSHDRLXOJRBY-NSHDSACASA-N 302.338 -0.431 30 20 DBED N#Cc1nccc(N2CCC[C@H]2CNC(=O)C2(C(N)=O)CC2)n1 1100902922 XIHTXWJAHAMAHR-JTQLQIEISA-N 314.349 -0.301 30 20 DBED C=CCN1CC2(C[C@H](NC(=O)CC(=O)NC)c3nccn32)C1 1101623754 JPXGSTAESODMKI-NSHDSACASA-N 303.366 -0.223 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1CNC(=O)[C@@H]1CCN(C)C1 1102578239 RJZUPUPXGGDZQT-MGPQQGTHSA-N 321.425 -0.738 30 20 DBED CC(=O)N1CC(C(=O)NC[C@@H](C)CNc2nccnc2C#N)C1 1103941270 JXJMCUOPCWJVMJ-JTQLQIEISA-N 316.365 -0.009 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H]1CN(c2nccnc2F)CCO1 1104330221 KIKFRSVUBFPPBV-VXGBXAGGSA-N 322.340 -0.025 30 20 DBED CN(CCN(C)c1cnc(C#N)cn1)C(=O)[C@@H]1COCCO1 1105339776 UVCYNKYMNKFJPS-LBPRGKRZSA-N 305.338 -0.342 30 20 DBED C=CCn1cc(C(=O)NC[C@@H](O)CNc2nc(C)ns2)nn1 1106132159 USCYZFYPXYLQEJ-SECBINFHSA-N 323.382 -0.173 30 20 DBED COC1CC(C(=O)N2C[C@@H](C)[C@H](CNCC(=O)NCC#N)C2)C1 1106291674 GKJSGORTMJDLPQ-NELGMTEASA-N 322.409 -0.265 30 20 DBED C[C@@H](CC(N)=O)C(=O)N[C@H](C)CCN=c1cc[nH]c(C#N)n1 1106515965 OWUJNEGYRFHHRI-VHSXEESVSA-N 304.354 -0.412 30 20 DBED C=C(C)C[C@H](C)C(=O)NCc1cn(C2CN(CC(N)=O)C2)nn1 1107198394 FLGWMIQIFNQJPJ-NSHDSACASA-N 320.397 -0.161 30 20 DBED N#Cc1cnc(NC/C=C\CNC(=O)[C@H]2C[C@H]2C(N)=O)cn1 1107517351 PCIYBRPCVIREGW-OVVPUXAQSA-N 300.322 -0.446 30 20 DBED C[C@H](CNc1cncc(C#N)n1)NC(=O)CCn1cncn1 1107648411 QWIOEYKZEQHTFQ-SNVBAGLBSA-N 300.326 -0.053 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)CC1OCCCO1 1107692281 ZTYPEOULEPPLEW-SNVBAGLBSA-N 305.338 -0.160 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@H](C)CNc1nccn2nnnc12 1107731344 PAEQOIOZXQPPLV-NOZJJQNGSA-N 305.342 -0.237 30 20 DBED CCN1C[C@H](C(=O)NC[C@@]2(C)CN(CC#N)CCO2)CC1=O 1107982967 FDTDCTIJVUITBD-DOMZBBRYSA-N 308.382 -0.415 30 20 DBED C[C@@]1(CNC(=O)Cn2cc(C3CC3)nn2)CN(CC#N)CCO1 1107993643 VMRNNUCMPUPUQP-OAHLLOKOSA-N 318.381 -0.114 30 20 DBED C[C@@H](CN(C)c1ccnc(C#N)n1)NC(=O)[C@H]1CN(C)CCO1 1108905359 JEMFUQJXYQWIIB-NWDGAFQWSA-N 318.381 -0.380 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H]1CN(C)CCO1 1109114138 ZDEVJVWPXRDMJE-UGUYLWEFSA-N 321.421 -0.312 30 20 DBED C[C@@H](CN(C)c1ncccc1C#N)NC(=O)[C@@H]1CN(C)C(=O)N1 1109194366 QRYJDPPKFQNIPR-JQWIXIFHSA-N 316.365 -0.082 30 20 DBED Cn1nnc(CN2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)C#CC2CC2)n1 1109251710 HPCQRGCFSNXZGA-AGIUHOORSA-N 300.366 -0.155 30 20 DBED CN(C)CCC(=O)N[C@@H]1[C@H]2C[C@H]1N(c1cnc(C#N)cn1)C2 1109740031 JPVABCJJONVANW-JVLSTEMRSA-N 300.366 -0.007 30 20 DBED N#Cc1nccnc1NCCN(CCO)C(=O)Cc1cnoc1 1111542482 BOMTXUZUMRUNRW-UHFFFAOYSA-N 316.321 -0.188 30 20 DBED C#CCNC[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CN(C)C(=O)N1)C2 1112507646 TWMLBWIXYBPXNV-XEZPLFJOSA-N 304.394 -0.139 30 20 DBED N#Cc1nccnc1N1C[C@H](CNC(=O)C#CC2CC2)[C@@H](O)C1 1112719784 DDQONPDYTRDEFW-JSGCOSHPSA-N 311.345 -0.325 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCN(CCS(C)(=O)=O)CC1 1112801025 BTLFVIPUIKMGJC-ZDUSSCGKSA-N 304.412 -0.498 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)[C@@H](C)CC(N)=O)CC1 1113193840 QMCSWOWJNCNFEC-NWDGAFQWSA-N 310.398 -0.667 30 20 DBED CCOC1CC(CC(=O)N2CCN(CC(=O)NCC#N)CC2)C1 1113250207 RVAMIAYVYYHUTK-UHFFFAOYSA-N 322.409 -0.024 30 20 DBED C[C@H](NC(=O)c1nnn(C)n1)[C@H](C)Nc1ccc(C#N)nn1 1113258143 AJEGUDXAWXLUNA-YUMQZZPRSA-N 301.314 -0.509 30 20 DBED Cc1nc(CC(=O)NC[C@H](C)N(C)c2ccnc(C#N)n2)n[nH]1 1113585982 SCRCPNBBAFWTRE-VIFPVBQESA-N 314.353 -0.042 30 20 DBED C[C@@H](CNC(=O)C[C@@H]1CCC(=O)N1)N(C)c1cncc(C#N)n1 1113652520 YYBFVYVULUWBOM-QWRGUYRKSA-N 316.365 -0.042 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)c2nonc2C)CC1 1113727231 JJKQBLXXYAWTSR-NSHDSACASA-N 305.338 -0.726 30 20 DBED N#CCNC(=O)CN1C[C@H]2C(NC(=O)/C=C/c3ccco3)[C@H]2C1 1113795070 DSOCAOBEHGPTCN-KUJBENRCSA-N 314.345 -0.021 30 20 DBED CC(=O)NCC(=O)N[C@H]1CN(c2ccnc(C#N)n2)CC[C@@H]1C 1113994026 ICKQOLAUDILSKI-JQWIXIFHSA-N 316.365 -0.185 30 20 DBED N#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3c[nH]c(C#N)c3)[C@H]2C1 1114163400 HALGZPLMTVMMAF-IMRBUKKESA-N 312.333 -0.814 30 20 DBED C#CCCCC(=O)NC1[C@H]2CN(CC(=O)NCCCOC)C[C@H]12 1114198290 ABHFLURQCPMCKC-KBPBESRZSA-N 321.421 -0.011 30 20 DBED C=CCN1C[C@H]2[C@H](NC(=O)[C@H](C)NS(=O)(=O)CC)[C@H]2C1 1114311577 PUQWUOGKVUQPHR-NNYUYHANSA-N 301.412 -0.453 30 20 DBED C[C@H](CCCN=c1cc[nH]cc1C#N)NC(=O)CNC(N)=O 1114836505 GYGDYLPFCKGNJS-SNVBAGLBSA-N 304.354 -0.260 30 20 DBED COCC(=O)N[C@H](C(=O)N[C@H]1[C@@H]2CN(CC#N)C[C@@H]21)C(C)C 1114939831 PVQHKCRHRBDVPA-UZGDPCLZSA-N 308.382 -0.656 30 20 DBED C=CCN1CC[C@@H](NC2(CNC(=O)C(N)=O)CCCCC2)C1=O 1115701923 MUGVBYQBQFLGNN-GFCCVEGCSA-N 322.409 -0.333 30 20 DBED CNC(=O)Cn1nc(NC(=O)C(=O)NCC(C)(C)C#N)cc1C 1116524998 BZEXLYTTZGLLNN-UHFFFAOYSA-N 320.353 -0.458 30 20 DBED C#CC1CCN(C(=O)C(=O)N(C)[C@H](C)CS(C)(=O)=O)CC1 1118185196 WAFZLPKTVSOQKR-LLVKDONJSA-N 314.407 -0.250 30 20 DBED CC#CCn1nnnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1120153640 NDOWJNJDZIMFBN-LBPRGKRZSA-N 304.354 -0.476 30 20 DBED Cc1cc(C(=O)NC[C@H](CO)Nc2nccnc2C#N)on1 1121060307 GBVFBTQXYPFWCU-SECBINFHSA-N 302.294 -0.153 30 20 DBED C[C@@]1(C(=O)NC[C@@H](CO)Nc2cnc(C#N)cn2)CCOC1 1121914162 KRNRUICNSIJKLM-SMDDNHRTSA-N 305.338 -0.336 30 20 DBED N#Cc1cccnc1N[C@H](CO)CNC(=O)Cc1cnc[nH]1 1122622315 OPLNDOLFZOPMTH-LBPRGKRZSA-N 300.322 -0.192 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@H](CO)Nc1nc(C)ns1 1122771320 ZVAUVFADPSICPR-RYUDHWBXSA-N 323.422 -0.167 30 20 DBED CC(=O)NCC(=O)N1C[C@H](N=c2cc[nH]cc2C#N)C[C@@H]1C 1123122548 RZIMLJLLSZVKDN-GXFFZTMASA-N 301.350 -0.087 30 20 DBED CC(C)C#CC(=O)N(C)C[C@@H](O)CNc1nccn2nnnc12 1124278228 GERIKWVQNXTMJG-NSHDSACASA-N 317.353 -0.590 30 20 DBED C=C(C)CN(CC)C(=O)CNCCNC(=O)c1nnn(C)c1C 1125175643 ZAAXEUWIKYDVJQ-UHFFFAOYSA-N 322.413 -0.132 30 20 DBED C=CCNC(=O)CNCCNC(=O)CCCNC(=O)C1CC1 1128696360 ILHBIAIIZABNCP-UHFFFAOYSA-N 310.398 -0.699 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCC(=O)NCCN(CC#CC)CC1 1131357385 UGTFIMQPSXJKKD-KRWDZBQOSA-N 321.421 -0.013 30 20 DBED C[C@@H]1CC[C@@H](NC(=O)c2ccnn2C)CN1CC(=O)NCC#N 1131862197 SEJHMUMESVRLSR-VXGBXAGGSA-N 318.381 -0.357 30 20 DBED C=CCOCC(=O)N[C@H]1CC[C@@H](C)N(Cc2nnn(C)n2)C1 1131947857 YINRMXWHMVHFMP-NEPJUHHUSA-N 308.386 -0.118 30 20 DBED C=CCCCNCCNC(=O)c1nc(C)n(-c2nc[nH]n2)n1 1132109904 VNNXTRTZGBVBLO-UHFFFAOYSA-N 304.358 -0.021 30 20 DBED CCS(=O)(=O)N(C)CC(=O)N[C@H]1CC[C@@H](C)N(CC#N)C1 1132393200 XPMYBSNCJBMQTF-NEPJUHHUSA-N 316.427 -0.239 30 20 DBED C[C@H]1CCN(C(=O)c2cnon2)C[C@@H]1CNCC(=O)NCC#N 1133181971 LVQMGDFLIOTDHW-QWRGUYRKSA-N 320.353 -0.603 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)c1nnn(C)c1C 1133994739 WJKPQEBTOZOVEM-WDEREUQCSA-N 320.397 -0.641 30 20 DBED COCC#CCN[C@H](C)C[C@@H](C)NC(=O)C1CS(=O)(=O)C1 1134426934 IFVNIBVNLVTRQO-VXGBXAGGSA-N 316.423 -0.446 30 20 DBED C=CCn1cc(C(=O)NCCNCCCN2CCCC2=O)nn1 1134973343 NOUBKAGHWXFBKN-UHFFFAOYSA-N 320.397 -0.204 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)COCCN(C)C)C1=O 1147848547 PHEXFJHSFXLLQA-CYBMUJFWSA-N 312.414 -0.943 30 20 DBED C=C(Br)CN1CCCO[C@@H](CNC(=O)C(N)=O)C1 1150212146 OTGDBTNDLCAJCU-VIFPVBQESA-N 320.187 -0.413 30 20 DBED COCC#CCNCCNC(=O)[C@H](C(C)C)N1CCCC1=O 1153421443 YGIOONBPHSINFG-HNNXBMFYSA-N 309.410 -0.011 30 20 DBED CCC[C@H](C(=O)NC[C@@H](C)N(CC)CC#N)S(N)(=O)=O 1154469403 XBCPPSMSDDAJFD-GHMZBOCLSA-N 304.416 -0.206 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)c1ccn(C)n1 1156896281 GNDGQHDUKALBJJ-GFCCVEGCSA-N 305.382 -0.390 30 20 DBED N#CCNCCCNC(=O)[C@@H]1CC[C@H](C(=O)N2CCCC2)O1 1166569501 CVPAUYBOSMFNAP-QWHCGFSZSA-N 308.382 -0.224 30 20 DBED N#CCNC(=O)CNCCCNC(=O)c1cccn2ccnc12 1168261989 PKBBZYQPNSUEPJ-UHFFFAOYSA-N 314.349 -0.316 30 20 DBED N#CCNC(=O)CNCCCNC(=O)C[C@@H]1CCCCC(=O)N1 1174666004 GQKWVOXBBXOEHP-LBPRGKRZSA-N 323.397 -0.829 30 20 DBED N#CCNC(=O)CN1CCO[C@H]2CCN(C(=O)CC3CC3)C[C@@H]21 1176883229 WQTAAINVTHEAIN-KBPBESRZSA-N 320.393 -0.272 30 20 DBED C[C@H]1[C@@H](NCC(=O)NC(N)=O)CCN1C(=O)CSCC#N 1178147896 LUKDSKXBBKHNRH-IUCAKERBSA-N 313.383 -0.983 30 20 DBED C=CCOCCN[C@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)[C@H]1C 1179710129 GEAVTJLPGZOZQC-AAEUAGOBSA-N 323.393 -0.179 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2cccnn2)[C@H]1C 1179766297 QWTVVBAZKXTHJY-RYUDHWBXSA-N 301.350 -0.581 30 20 DBED C[C@H]1CN(C(=O)c2ncc[nH]2)CC[C@H]1CNCC(=O)NCC#N 1184311424 HOAKHBSCRKBUTI-RYUDHWBXSA-N 318.381 -0.263 30 20 DBED C#CCNC(=O)CNC[C@@H]1CCN(C(=O)c2nc[nH]n2)C[C@@H]1C 1185326453 GPRIIQMEXZFQOK-RYUDHWBXSA-N 318.381 -0.758 30 20 DBED C#CCCNC[C@H]1CN(C(=O)CC(=O)NC)CC12CCOCC2 1186357184 SQFDVIXJJYLLOU-AWEZNQCLSA-N 321.421 -0.009 30 20 DBED CC#CCN1C[C@@H]2CCN(C(=O)CN(C)C(=O)COC)[C@@H]2C1 1188125555 QESRFVBXEIKJJM-UONOGXRCSA-N 307.394 -0.353 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@@H]1CCN(C(=O)c2cnccn2)C1 1188675772 NSWDODVCWLQESO-QWHCGFSZSA-N 315.377 -0.239 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2cncnc2C)C1 1189020128 ARRTWEUGUJUYJI-CYBMUJFWSA-N 315.377 -0.319 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)CCc2cnn(C)c2C)C1 1193370117 OFPKXXPBNRNOKU-HUUCEWRRSA-N 304.394 -0.154 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C[C@@H]2C[C@H]2C2CC2)C1 1194831998 JEOGNPITZYNQMN-BYNSBNAKSA-N 319.405 -0.667 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)c2nc(C)c[nH]2)C1 1196789837 FDDHROUFQQZZRH-QJPTWQEYSA-N 321.381 -0.816 30 20 DBED N#CCNC(=O)CN1CCCN(C(=O)CC2=CCOCC2)CC1 1197044081 MJCFKLICQMMSPO-UHFFFAOYSA-N 320.393 -0.103 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[C@H](C)CC2)C1 1197949603 SUSRMIYRLQYFMM-KBUPBQIOSA-N 321.421 -0.277 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@@](C)(NC(C)=O)C(C)C)C1 1199260728 GWYODMWIEXWERO-FMKPAKJESA-N 309.410 -0.278 30 20 DBED COCC#CCNC1CCN(C(=O)[C@@H]2CCNC(=O)C2)CC1 1200057334 MRKVSHQARRQECX-CYBMUJFWSA-N 307.394 -0.257 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)C(=O)NCC(F)F)CCCO1 1200873082 DTSIXHSINBMPFZ-LLVKDONJSA-N 317.336 -0.402 30 20 DBED C#CCCNC[C@H]1CN(C(=O)CCN2CCOCC2)CCCO1 1201639368 JMTSORQFDRAWAU-INIZCTEOSA-N 323.437 -0.061 30 20 DBED CN(C)c1ccc(C(=O)N2CCCO[C@@H](CNCC#N)C2)nn1 1201878990 AZZLFXJYLIUPKB-LBPRGKRZSA-N 318.381 -0.113 30 20 DBED N#CCNC[C@H]1CN(C(=O)c2cc(C(N)=O)ccn2)CCCO1 1202252453 YKKDBYSYVOFKHE-LBPRGKRZSA-N 317.349 -0.475 30 20 DBED N#CCNC(=O)CN[C@@H]1C[C@@H](NC(=O)c2cc[nH]n2)C12CCC2 1202472872 YQQYRGYYDUADNX-VXGBXAGGSA-N 316.365 -0.320 30 20 DBED C#CCN[C@H]1C[C@@H](NC(=O)CCS(=O)(=O)NC)C12CCC2 1202927880 BDVBEHZQAHMTEW-NWDGAFQWSA-N 313.423 -0.424 30 20 DBED CC#CCN[C@H]1C[C@@H](NC(=O)CN2CCOCC2=O)C12CCC2 1203036005 IWFSXSPVRUUWSQ-UONOGXRCSA-N 319.405 -0.115 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCN(C(=O)c2cnns2)C1 1207507367 QATDSXHAPNYRGM-SECBINFHSA-N 308.367 -0.628 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCCN(C(=O)Cc2cc[nH]n2)C1 1207731451 KRFDESDQIQTRTA-OCCSQVGLSA-N 317.393 -0.329 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)C2(C(N)=O)CC2)[C@H](C)C1 1208474578 HPHKEQSONLNRRS-GRYCIOLGSA-N 322.409 -0.621 30 20 DBED C=C(C)CN[C@@H]1CCCN(C(=O)C[C@H](NC(C)=O)C(N)=O)C1 1209962504 BGKNHUXIGOTXSW-OLZOCXBDSA-N 310.398 -0.477 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)C(=O)NCC2CC2)C1 1210378824 VTZNZGBPMSDQKS-CYBMUJFWSA-N 322.409 -0.605 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)CC(C)C)[C@H](OC)C1 1211783809 FTUAPZTWUFZUIJ-BFHYXJOUSA-N 309.410 -0.014 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(CC(=O)NC2CC2)C[C@H]1OC 1212031902 AMCWCLQHOTYMBL-CHWSQXEVSA-N 311.382 -0.717 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)C2CC=CC2)[C@H](OC)C1 1212057950 PZAPLTZBTFSTCI-ZIAGYGMSSA-N 305.378 -0.483 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C[C@H]1C 1215358095 UKMFHVKJNKPXBN-VVSAWPALSA-N 305.378 -0.935 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)Cc2cnc[nH]2)C[C@H]1C 1215680898 NODBDTQDWQJMKN-DGCLKSJQSA-N 303.366 -0.862 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@H](C)CCOC)C[C@H]1C 1216794175 YSNSAKJYOWFEOU-MGPQQGTHSA-N 309.410 -0.155 30 20 DBED C#CCOCCC(=O)N1CCO[C@@H]2CN(CC(=O)N(C)C)C[C@@H]21 1217876928 SHGCGLSJTQJERD-UONOGXRCSA-N 323.393 -0.974 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CC(=O)NCC1CC1 1218942641 RGNMKOVBGATRDJ-LSDHHAIUSA-N 319.405 -0.162 30 20 DBED C=CCNC(=O)NC(=O)CN1C[C@H](O)[C@H](NC(=O)/C(C)=C\C)C1 1219434967 RUKCNPXWHJMLME-XAPDAFRNSA-N 324.381 -0.874 30 20 DBED C#CCC1(C(=O)N[C@@H]2CN([C@H]3CCCNC3=O)C[C@@H]2O)CCC1 1219785499 QCJRANFRMUSFNK-RDBSUJKOSA-N 319.405 -0.380 30 20 DBED C=CCC[C@@H](C)N1C[C@H](O)[C@H](NC(=O)c2c[nH]c(=O)cn2)C1 1220224646 WLMQNTKPROARHQ-RTXFEEFZSA-N 306.366 -0.101 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H](OC)C(C)C)C1 1220282992 SELTWRPAAKLDGS-DYEKYZERSA-N 313.398 -0.879 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)CNC(=O)c2ccco2)C1 1220905137 BDQYESMFSWKYHU-NEPJUHHUSA-N 305.334 -0.806 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2csnn2)C[C@@H]1O 1221143472 GBLCCKPHRUWISQ-WCQGTBRESA-N 312.395 -0.210 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)c2cc(C)[nH]n2)CC1 1222491154 TYAFSGYKRQSTAY-UHFFFAOYSA-N 317.393 -0.091 30 20 DBED N#CCNC(=O)CN1CCC(NC(=O)Cc2ccon2)CC1 1226681502 OLAYSFNYFWCSSQ-UHFFFAOYSA-N 305.338 -0.563 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)[C@]2(F)CCOC2)CC1 1228827199 SHLBLKUDQBUIOS-HNNXBMFYSA-N 311.357 -0.555 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)CCC(=O)NCC 1231197452 CNNFDIVMWCBTIF-ZDUSSCGKSA-N 322.409 -0.815 30 20 DBED CN(C[C@H]1CCN1CCN1C(=O)CNC1=O)C(=O)C#CC1CC1 1234195941 OEVOITWJSMSWRH-CYBMUJFWSA-N 318.377 -0.516 30 20 DBED C#CCNC(=O)[C@H](C)N(C)CCCNC(=O)c1cnns1 1234489957 QVGYSNHZMZIIET-JTQLQIEISA-N 309.395 -0.272 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)c2nccn2CC)C1 1265280394 AKLRVCXINBFKQV-LBPRGKRZSA-N 303.366 -0.544 30 20 DBED COC[C@@H](O)CN[C@@]1(CO)CCCN(C(=O)C#CC2CC2)C1 1273875247 FCDLCPWBYXWELH-HOCLYGCPSA-N 310.394 -0.650 30 20 DBED Cc1nnc(O)c(CNC(=O)C(=O)N2CC[C@](F)(C#N)C2)c1C 1324478197 OSRBCWJACIWWNJ-AWEZNQCLSA-N 321.312 -0.121 30 20 DBED C=CCNC(=O)CNC(=O)N1CCC[C@@H](C(=O)NC2CC2)C1 1324957477 BYDRQQTYWDTONE-LLVKDONJSA-N 308.382 -0.011 30 20 DBED CNC(=O)[C@H](C)NC(=O)C(=O)Nc1ccc(F)cc1OCC#N 1324978012 FQQUJJUNKYWKIA-QMMMGPOBSA-N 322.296 -0.083 30 20 DBED N#CCNC(=O)CNC(=O)N1CCC(Cn2ccnn2)CC1 1325033905 MXEZBQAUIQDIEA-UHFFFAOYSA-N 305.342 -0.661 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CC[C@@H](OCCOC)C1 1325475221 OYHPKPZIZXWLIU-VXGBXAGGSA-N 300.355 -0.433 30 20 DBED C=CC[C@H](NS(=O)(=O)c1cnn2c1OCCC2)C(=O)O 1326330778 PPJPVRAGVXXLLR-QMMMGPOBSA-N 301.324 -0.027 30 20 DBED C#CC[C@@H](CO)NC(=O)[C@H](C)S(=O)(=O)C1CCOCC1 1326345238 YMTSDOIQUMBHLD-QWRGUYRKSA-N 303.380 -0.531 30 20 DBED C=CCOCCNC(=O)C(=O)N[C@H]1CCO[C@]2(CCOC2)C1 1327782131 FTDPSJYYNRQSHR-SWLSCSKDSA-N 312.366 -0.241 30 20 DBED C#CCSCCNC(=O)C(=O)NCc1c(O)nnc(C)c1C 1341987508 ZKCWCGBNKBPTDE-UHFFFAOYSA-N 322.390 -0.102 30 20 DBED CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)C(=O)N1CC[C@@](F)(C#N)C1 1343053708 REDMFVVCNAAOJM-ISTVAULSSA-N 310.329 -0.519 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N[C@H](C)[C@H]1CN(C)CCO1 1343129814 CPUJXJWFERWBMU-ZIAGYGMSSA-N 305.378 -0.693 30 20 DBED C=CCNC(=O)Cn1nnnc1N1CC[C@H](OCCOC)C1 1352314547 KZMRRJJFJGWJBA-NSHDSACASA-N 310.358 -0.783 30 20 DBED C#CCN(C)CCCNC(=O)Nc1ncn(CC(=O)N(C)C)n1 1354673616 DAEBBPWFAKTWDI-UHFFFAOYSA-N 321.385 -0.557 30 20 DBED CCCN(CC(=O)NC)C(=O)CCn1cc(C#N)c(O)nc1=O 1362131891 FBAQIWDODUURQG-UHFFFAOYSA-N 321.337 -0.805 30 20 DBED Cc1onc(CC(=O)N[C@H](CO)Cc2cnn(C)c2)c1C#N 1363102427 VRALDRBFAMWHFZ-NSHDSACASA-N 303.322 -0.150 30 20 DBED Cn1c(=O)[nH]c(N2CCC(F)(F)[C@@H](CO)C2)c(C#N)c1=O 1364560201 JPTATEQKRPYATC-SSDOTTSWSA-N 300.265 -0.601 30 20 DBED CS(=O)(=O)CCN[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 1371503112 NGWQRKZYPRFSFD-NSHDSACASA-N 310.379 -0.265 30 20 DBED COCCn1cc(C(=O)NC[C@@H](C)CNC(=O)[C@H](C)C#N)nn1 1375716611 UURGJIOZSJUMQH-WDEREUQCSA-N 322.369 -0.434 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCN(C(=O)[C@H](C)NC(N)=O)C2)C1 1384561362 MIWISACVRWFWDR-UWVGGRQHSA-N 307.354 -0.736 30 20 DBED COc1nn(C)cc1C(=O)N1CC[C@H](NC(=O)[C@H](C)C#N)C1 1385870007 LOTLXKIQHJZAMR-ZJUUUORDSA-N 305.338 -0.081 30 20 DBED COCC(=O)N(C)CC(=O)N1CC[C@H](N(C)C(=O)[C@H](C)C#N)C1 1407193302 VGUWMEXMRIHVDI-NEPJUHHUSA-N 324.381 -0.690 30 20 DBED CO[C@@]1(CNC(=O)CCn2cc(C#N)c(O)nc2=O)CCOC1 1412773390 LERUPYPFUOYOJL-CQSZACIVSA-N 322.321 -0.868 30 20 DBED COC(=O)CNC(=O)[C@H]1CCCN1C(=O)c1cccc(C#N)n1 1417558192 DYBOQQTVIHOKTG-GFCCVEGCSA-N 316.317 -0.153 30 20 DBED C=C(Cl)CN1CC[C@@](C)(NC(=O)CN2CCNC(=O)C2)C1 1421215307 DTONNSKWPWMUQC-CQSZACIVSA-N 314.817 -0.249 30 20 DBED Cc1c[nH]c(C(=O)N2CCN(CCNC(=O)[C@H](C)C#N)CC2)n1 1429800231 QDOQTAIUGGYGAD-LLVKDONJSA-N 318.381 -0.248 30 20 DBED CC(=O)N1CC[C@@](C)(C(=O)N2CC(NC(=O)[C@H](C)C#N)C2)C1 1432342540 QUHVYKXZLYQVIH-MEBBXXQBSA-N 306.366 -0.268 30 20 DBED CCO[C@@H]1C[C@@](O)(CNc2[nH]c(=O)n(C)c(=O)c2C#N)C1(C)C 1434444699 PAXBFEYMSAEESU-MEBBXXQBSA-N 322.365 -0.077 30 20 DBED C[C@@H](CN(C)C(=O)c1cn(C)nn1)NC(=O)c1cc(C#N)c[nH]1 1443789874 GMELIJCJTNIPOD-VIFPVBQESA-N 315.337 -0.095 30 20 DBED C[C@H]1C[C@H](CO)CN(C(=O)CCn2cc(C#N)c(O)nc2=O)C1 1451829388 NBTLCWDJFVPEHY-QWRGUYRKSA-N 320.349 -0.312 30 20 DBED Cn1c(=O)[nH]c(N2CCC(O[C@H]3CCOC3)CC2)c(C#N)c1=O 1472803068 UFKCFZGMBSKVOY-NSHDSACASA-N 320.349 -0.280 30 20 DBED N#CCNC(=O)CN1CC[C@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 1481693448 YLCOTHCDHQGTEK-LOWDOPEQSA-N 306.366 -0.616 30 20 DBED N#Cc1cc(C(=O)NC2(CNC(=O)Cc3nc[nH]n3)CC2)c[nH]1 1536023502 PBXVCWPTTVVARY-UHFFFAOYSA-N 313.321 -0.374 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCN([C@@H]2CCCN(C)C2=O)C1 1566662676 OAUJJHKMKKZDPA-ZIAGYGMSSA-N 307.394 -0.162 30 20 DBED CO[C@@]1(CO)CCCN(c2cnc(C#N)c(-c3nn[nH]n3)n2)C1 1570918428 PSDLDWOBAPTMAG-ZDUSSCGKSA-N 316.325 -0.494 30 20 DBED C=CC[C@H](CO)NC(=O)c1nc(O)c(-c2nn[nH]n2)cc1C 1573326442 PATNOGFHKOSQCC-MRVPVSSYSA-N 304.310 -0.057 30 20 DBED C=CCn1cc(C(=O)N(C)CCN(C)CCc2cnn[nH]2)nn1 1575112263 RSOQOIQOLMFQDB-UHFFFAOYSA-N 318.385 -0.171 30 20 DBED CCC[C@@H]1C(=O)NCCN1c1cnc(C#N)c(-c2nn[nH]n2)n1 1577388647 UQLHWXZMNODEQK-SECBINFHSA-N 313.325 -0.367 30 20 DBED N#Cc1nc(N2CC[C@@H](c3cc(O)n[nH]3)C2)cnc1-c1nn[nH]n1 1581879478 MVFJSVYQCHOYJJ-SSDOTTSWSA-N 324.308 -0.049 30 20 DBED C#CC[C@H](NS(=O)(=O)c1n[nH]c(C)c1C(=O)O)C(=O)OC 1588424590 XRAUMTVQGYZBGO-ZETCQYMHSA-N 315.307 -0.740 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2C[C@@H](C(=O)O)C2)CC1 1588483623 FMDDVYSKTKKDFO-BETUJISGSA-N 321.377 -0.619 30 20 DBED C=CCn1cc(CNS(=O)(=O)c2c[nH]c(C(=O)O)c2)nn1 1588909412 SQFNNLMCSOISCX-UHFFFAOYSA-N 311.323 -0.031 30 20 DBED CN(CC1CC1)C(=O)Cn1c(N)nc(-c2nn[nH]n2)c1C#N 1591053989 ZMYICTLIBFJYEQ-UHFFFAOYSA-N 301.314 -0.615 30 20 DBED N#Cc1ncc(N2CCC[C@@H](CC(N)=O)C2)nc1-c1nn[nH]n1 1592708209 AWQAFVCNFJZNKG-QMMMGPOBSA-N 313.325 -0.380 30 20 DBED CN1C[C@@H](C(=O)O)N(CC(=O)Nc2ccc(C#N)cc2)CC1=O 1598564585 VPLPKMXDFMCIIM-LBPRGKRZSA-N 316.317 -0.276 30 20 DBED COC(=O)C[C@@H](NS(=O)(=O)CC1(C#N)CCC1)C(=O)O 1598838614 DDMYSLBHSYCECS-MRVPVSSYSA-N 304.324 -0.384 30 20 DBED N#CCC(=O)N1CCN([C@@H]2CCN(CCC(=O)O)C2=O)CC1 1601061015 PPYAVTUCVOREDB-LLVKDONJSA-N 308.338 -0.880 30 20 DBED N#Cc1cc(C(=O)N2CCN(C(=O)[C@H]3C[C@H]3C(=O)O)CC2)c[nH]1 1601085212 WECDBNKFZUZPBD-NWDGAFQWSA-N 316.317 -0.109 30 20 DBED C#CCCCC(=O)NC[C@H](CO)N=c1cc[nH]c(C(=O)O)n1 1602701216 BQJLZBJSWPKFMG-SNVBAGLBSA-N 306.322 -0.711 30 20 DBED C[C@@]1(C(=O)O)CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)C1 1603308362 KXTQPADWJFLVOL-GXSJLCMTSA-N 303.340 -0.748 30 20 DBED N#CC1(C(=O)O)CCN(CC(=O)NCC(=O)N2CCCC2)CC1 1608174524 PJZODCJYHMWUQT-UHFFFAOYSA-N 322.365 -0.585 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)N2CCC(CC(=O)O)CC2)C1 1608181403 JUSORYWZKUYBAN-HNNXBMFYSA-N 323.349 -0.423 30 20 DBED N#Cc1c[nH]ccc1=NCCN(CCO)C(=O)[C@@H]1C[C@H]1C(=O)O 1608223236 WCLZTOCWEKROBY-VXGBXAGGSA-N 318.333 -0.671 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2ccn(C)c(=O)c2)C1 1690094459 FKJNUFHUINZESU-AWEZNQCLSA-N 303.362 -0.161 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H](CNC(=O)c1nc(C)c[nH]1)C1CC1 1752512953 JPSKEZUJMYLGKI-AAEUAGOBSA-N 317.393 -0.046 30 20 DBED C#CCNC(=O)CN[C@H](C)CNC(=O)[C@@H]1CCn2cncc2C1 1752881416 AKEMHCWHSKWREK-CHWSQXEVSA-N 317.393 -0.711 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H](C)CCNC(=O)c1cnccn1 1753001821 MPDGXEGCQGASEL-NEPJUHHUSA-N 303.366 -0.288 30 20 DBED C=C[C@](C)(O)CC(=O)N1C[C@@H]2CC[C@H](C1)N2CC(=O)NC(N)=O 1753305484 PBQCRKWXEWUTPF-RWSFTLGLSA-N 324.381 -0.816 30 20 DBED C#CCCCCC(=O)NCC1CN(CCN2C(=O)CNC2=O)C1 1753400669 GAKKAMLWRUOROP-UHFFFAOYSA-N 320.393 -0.220 30 20 DBED C#CCCNC[C@@](C)(NC(=O)CC[C@H]1NC(=O)NC1=O)C1CC1 1753527666 ONFZCWROACNBMI-MLGOLLRUSA-N 320.393 -0.128 30 20 DBED COCC#CCNC[C@H](C)N(C)C(=O)C[C@H]1CC(=O)NC1=O 1753731219 NOVARVKACFXHQQ-NWDGAFQWSA-N 309.366 -0.875 30 20 DBED C#CCNC(=O)CNCC[C@H]1CCCCN1C(=O)c1cnn[nH]1 1753781864 UMAJROOLLFAZQP-GFCCVEGCSA-N 318.381 -0.472 30 20 DBED C#CCNC(=O)[C@@H](C)NC/C=C\CNC(=O)c1nnn(C)c1C 1754105674 OHROJZBNPDQXDR-JMEBYUIHSA-N 318.381 -0.863 30 20 DBED C#CCO[C@H](C)C(=O)NC/C=C\CN[C@H](C)C(=O)NC(=O)NC 1754120779 WFMBRHOIAASSHK-UXFRKABBSA-N 324.381 -0.869 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCN1CC(=O)NC(N)=O 1754498126 SSVMCFDLSDOSIC-MDZLAQPJSA-N 324.381 -0.647 30 20 DBED CC#CCCCC(=O)N1CCN([C@H]2CCN(CC(N)=O)C2)CC1 1754663251 OVJPKDGDJOJJON-HNNXBMFYSA-N 320.437 -0.116 30 20 DBED C=CCNC(=O)CN[C@H]1CN(C(=O)Cc2ccn(C)n2)C[C@H]1C 1755109708 XWGHENMCKUGWGD-OCCSQVGLSA-N 319.409 -0.299 30 20 DBED COCC#CCNC[C@H]1CC[C@@H](NC(=O)c2c[nH]c(=O)cn2)C1 1755743797 NKOIYIRBJFHLQH-QWHCGFSZSA-N 318.377 -0.092 30 20 DBED CN(C[C@H](O)CNCC#N)C(=O)c1ccn(C2CCOCC2)n1 1755779967 UZOSFZXSOGLQFC-CYBMUJFWSA-N 321.381 -0.219 30 20 DBED C=CCCO[C@H](C)C(=O)N(C)C[C@H]1CCCN1C(=O)C(N)=O 1755924859 KVMWTNBFUKXXSF-VXGBXAGGSA-N 311.382 -0.098 30 20 DBED C=CCCC(=O)N(C)C[C@H](O)CN(C)C(=O)[C@@H]1CCC(=O)N1 1756684455 UNPOXXQYJSSJCE-RYUDHWBXSA-N 311.382 -0.491 30 20 DBED Cn1nc(C(=O)O)cc1C=NN1C(=O)[C@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C1=O 1776102459 QLPLGRXYPCWJSD-ZNSHCXBVSA-N 316.273 -0.609 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)Cc1noc(C)n1)CCO2 1783047791 HTZSTPURJDNIRB-OAHLLOKOSA-N 318.333 -0.616 30 20 DBED C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CS(=O)(=O)CC)C2 1801595243 GYFLLVPDUXPPMJ-ZSBIGDGJSA-N 312.391 -0.308 30 20 DBED C[C@H](S)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CNC(=N)N)C2 1802290245 HVQUPYDKJPBWKO-QEYWKRMJSA-N 313.427 -0.574 30 20 DBED C#CC(=O)N1CCCC12CN(C(=O)C[C@@](C)(O)CC(=O)O)C2 1845960805 OUHKFZGQWJUACJ-CQSZACIVSA-N 308.334 -0.561 30 20 DBED C/C(=C/C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2)C(=O)O 1846997894 XINUSTBZUQDBPN-YFHOEESVSA-N 320.301 -0.691 30 20 DBED Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)N1CCO[C@H](C#N)C1 106291894 VHNNZYSMOYRXOA-LLVKDONJSA-N 315.333 -0.067 30 20 DBED C[C@H](Nc1c(C#N)c(=O)n(C)c(=O)n1C)[C@@H]1CN(C)CCO1 154852826 SHMFSVKFHBDRFK-ONGXEEELSA-N 307.354 -0.913 30 20 DBED C#CCCCNC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 172938597 GHGGYOLVRALCBZ-UHFFFAOYSA-N 300.318 -0.225 30 20 DBED C=CCN/C(N)=N\Cc1ccc(C(=O)N2CCNC(=O)C2)cc1 261912064 YLUQPLRQNSWQSP-UHFFFAOYSA-N 315.377 -0.151 30 20 DBED C#CCN1CCC(C(=O)NCCCN2CCNC(=O)C2)CC1 270967201 HOFQQTOWEOWPIY-UHFFFAOYSA-N 306.410 -0.730 30 20 DBED C=CCNC(=O)CNC(=O)N1CC[C@@H](N2CCOCC2)[C@H]1C 292368685 LBZVDMSCLHKVLV-CHWSQXEVSA-N 310.398 -0.207 30 20 DBED CCn1cc(C#N)c(=O)n(C[C@@H](O)COCC(F)(F)F)c1=O 292559221 XXNAPHUWFPDLLO-SECBINFHSA-N 321.255 -0.159 30 20 DBED C#CCNC(=O)CCN1C[C@H](C(=O)NCCOC)CC[C@H]1C 293386889 GPJBXCFNRGNHAT-ZIAGYGMSSA-N 309.410 -0.011 30 20 DBED CN1CC[C@@H](/N=C(/O)c2cnc3c(c2)c(O)nc(=O)n3C)C1=O 329658834 HJTHSHHEEMCQRE-SECBINFHSA-N 317.305 -0.431 30 20 DBED CN(C)C1CCN(CC/N=C(/O)N2CCO[C@H](CO)C2)CC1 330497660 ZYNSPNCXVVASPL-AWEZNQCLSA-N 314.430 -0.381 30 20 DBED CNC(=O)CCN(C)S(=O)(=O)N(CCC#N)CCOC 337065830 KKTOTHABHYSUJO-UHFFFAOYSA-N 306.388 -0.839 30 20 DBED CCOC(=O)[C@@](C)(O)CNS(=O)(=O)N(C)[C@H](C)CC#N 337852279 YDPCRQFAUIJZOZ-KOLCDFICSA-N 307.372 -0.631 30 20 DBED CC(C)N=c1[nH]c(=NCCO)[nH]c(=NCC2(CC#N)CC2)[nH]1 343046497 RWTMUQQPYBDEOV-UHFFFAOYSA-N 305.386 -0.532 30 20 DBED COC(=O)[C@@H]1CN(C(=O)NCCn2cnc(C#N)n2)C[C@@H](C)O1 357816561 NQKJNEWGEQZGOU-ZJUUUORDSA-N 322.325 -0.878 30 20 DBED COCn1nc(C)c(S(=O)(=O)N2CC(O)(CC#N)C2)c1C 358912271 BWQQFDAXSCCDFE-UHFFFAOYSA-N 314.367 -0.247 30 20 DBED COCCN1C[C@H](C(=O)NC[C@@H]2CCCN(CC#N)C2)CC1=O 359433076 VPZLAODTZRVDPR-UONOGXRCSA-N 322.409 -0.167 30 20 DBED Cn1c(N2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)c(C#N)c(=O)n(C)c1=O 364992634 MXQKYYVWNUKELU-ATZCPNFKSA-N 317.349 -0.954 30 20 DBED CC(C)(C)C(=O)N1CCO[C@@H](C(=O)N2CC(O)(CC#N)C2)C1 366398739 JUKBMHXPPDEEDR-LLVKDONJSA-N 309.366 -0.253 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N1CCOC[C@]12CCOC2 367183266 BJQIAVALOIEFBJ-NWDGAFQWSA-N 303.384 -0.044 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCN2C(=O)NC[C@@H]2C1 370300844 YUYPNSZXPAQWPO-WDEREUQCSA-N 315.399 -0.578 30 20 DBED C=CCNC(=O)NC(=O)CN1CC[C@@H](C(=O)N2CCCC2)C1 370680527 ICBAOYZJEHXZGT-GFCCVEGCSA-N 308.382 -0.058 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N[C@@H]1CCC(=O)N(C)C1=O 425224688 ONSBJCUUMFGCLZ-RKDXNWHRSA-N 302.356 -0.798 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)CC2CCOCC2)CC1 491220932 RPINERKUGLGRQC-UHFFFAOYSA-N 307.394 -0.303 30 20 DBED C[C@@]1(CNCCS(=O)(=O)c2ccc(C#N)cn2)CCC(=O)N1 564860394 QJJPSWVZZASCSI-AWEZNQCLSA-N 322.390 -0.015 30 20 DBED CCOC(=O)COCCNC(=O)C(=O)Nc1cccc(C#N)n1 581071155 LTSWZHCJBHCVEY-UHFFFAOYSA-N 320.305 -0.412 30 20 DBED Cn1cc(S(=O)(=O)NCCN2CC[C@@](O)(CC#N)C2)cn1 592152632 ZDSCPOSQKDFSNJ-LBPRGKRZSA-N 313.383 -0.951 30 20 DBED CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)N[C@@H]1CC[C@H](C#N)C1 595642571 GUYFINYLWWNHNR-VLEAKVRGSA-N 301.368 -0.210 30 20 DBED CC(C)[C@H](C(=O)OCC(=O)NCC#N)N1CCCS1(=O)=O 773190180 QNKKSOMLORNXNK-LLVKDONJSA-N 317.367 -0.771 30 20 DBED N#Cc1ncn(CC(=O)N[C@H](CO)C[C@H](O)c2ccccc2)n1 775784761 HYOQTEUMHIGKKX-STQMWFEESA-N 315.333 -0.249 30 20 DBED COc1ccc(C(=O)OCC(=O)NCC#N)cc1-n1cnnn1 781777695 DEXRVHQPXJATTJ-UHFFFAOYSA-N 316.277 -0.533 30 20 DBED C[C@H](OC(=O)CN1CCCNC1=O)C(=O)NC1(C#N)CCC1 787641414 OYDJHHANCONDIL-JTQLQIEISA-N 308.338 -0.104 30 20 DBED N#CC1CN(C(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)C1 817546428 HYMJKLAKURRFSN-SNVBAGLBSA-N 324.362 -0.866 30 20 DBED C#Cc1ccc(C(=O)NCCCn2c(=O)ccn(C)c2=O)cn1 819942793 LNVUOCRJRBPDQE-UHFFFAOYSA-N 312.329 -0.257 30 20 DBED CC(C)(C)NC(=O)NC(=O)Cn1cnc(C#N)c1-c1nn[nH]n1 824094312 RDSBOAVCOFZUNL-UHFFFAOYSA-N 317.313 -0.441 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)c2ncccc2C)CC1 831565636 WTOCEENZITVLIQ-UHFFFAOYSA-N 322.390 -0.385 30 20 DBED CC1=C(C(=O)N2CCO[C@H](C#N)C2)[C@H](C)n2nnnc2N1C 847452522 UAUFARHEINYNJP-VHSXEESVSA-N 303.326 -0.291 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)O)C1 852914072 MALMQPUSGPTFIN-MLGOLLRUSA-N 318.329 -0.969 30 20 DBED C#CCN(CC(=O)NC[C@H](O)COC)C(=O)OC(C)(C)C 854384632 XHIYZVZQZRDNEV-NSHDSACASA-N 300.355 -0.020 30 20 DBED C#CCCOC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 858931639 XIHOVDVDWBEIMA-NEPJUHHUSA-N 316.379 -0.766 30 20 DBED C#C[C@H](NC(=O)N1C[C@H]2C(=O)N(C)C(=O)[C@H]2C1)[C@@H]1CCCO1 868513751 IDGVPIHYTBXOHI-USZNOCQGSA-N 305.334 -0.577 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)c2nccs2)CC1 871738395 KLTSHFGSPGQRRZ-UHFFFAOYSA-N 314.392 -0.632 30 20 DBED C#CC[C@@H](CCOC)NC(=O)[C@H]1CCCN1S(C)(=O)=O 876075964 YZQCASFNZYZNEA-NWDGAFQWSA-N 302.396 -0.045 30 20 DBED C#CCSCC(=O)O[C@H](C)C(=O)NCCN1CCOCC1 892959668 HCKSZHFKOCTPFE-GFCCVEGCSA-N 314.407 -0.267 30 20 DBED CS(=O)(=O)c1ccccc1CCNC(=O)NCC#CCO 923759685 WLHOVBCGKLTRNZ-UHFFFAOYSA-N 310.375 -0.073 30 20 DBED C#CCN1CCC(NC(=O)CS(=O)(=O)N(CC)CC)CC1 928655823 ZQBAVIUPULJMFE-UHFFFAOYSA-N 315.439 -0.128 30 20 DBED Cn1cc(C(=O)N[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)nn1 940254277 GFILRZUTUHKAFO-SNVBAGLBSA-N 313.321 -0.341 30 20 DBED N#CCN1CCC2(CC1)CN(C(=O)CCc1cnn[nH]1)CCO2 949194014 GQBLRHAZWRRMSI-UHFFFAOYSA-N 318.381 -0.046 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CNC(=O)c2ncn(C)n2)CC1 949390662 JJMVTCHXQUYHCV-SNVBAGLBSA-N 304.354 -0.057 30 20 DBED Cn1cnc(C(=O)NC[C@@H]2CCN2C(=O)c2ccc(C#N)[nH]2)n1 949743620 OSNHVPYERPHELO-JTQLQIEISA-N 313.321 -0.341 30 20 DBED CCN(C(=O)c1cc(C#N)c[nH]1)C1CN([C@@H]2CCNC2=O)C1 949854764 WLYYWYBYEHLSSJ-CYBMUJFWSA-N 301.350 -0.079 30 20 DBED CN1C[C@H](C(=O)N[C@@H]2CCCN(C(=O)C#CC3CC3)C2)CC1=O 950758088 DQDUWUNIQJPSMA-ZIAGYGMSSA-N 317.389 -0.015 30 20 DBED CN(C(=O)c1cc(C#N)c[nH]1)C1CN(C(=O)Cn2cncn2)C1 953998074 RQKRKBQDBBMCTC-UHFFFAOYSA-N 313.321 -0.539 30 20 DBED O=C(NC[C@@H]1CCCN1C(=O)C#CC1CC1)[C@H]1COCCO1 956004208 QALIYABMBCSRTR-UONOGXRCSA-N 306.362 -0.078 30 20 DBED C=C(C)CN1C[C@@H](O)[C@@H](CNC(=O)c2cc(=O)n(C)cn2)C1 958149736 WCFBYUGTXAJMCW-WCQYABFASA-N 306.366 -0.621 30 20 DBED CN(C(=O)C1=COCCO1)[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 958460750 GQUBYVZFXRJJQG-STQMWFEESA-N 320.345 -0.682 30 20 DBED C#CCCN1C[C@@H](O)[C@H](CNC(=O)c2coc(COC)n2)C1 958552127 QFJKTBSRMQEQLZ-DGCLKSJQSA-N 307.350 -0.133 30 20 DBED CC#CCN1C[C@H](CNC(=O)c2ccc(N(C)C)nn2)[C@@H](O)C1 958598598 KQBITYKTHCTBKO-JSGCOSHPSA-N 317.393 -0.412 30 20 DBED C#CCN1CCN(S(=O)(=O)C2CN(C(=O)C(F)F)C2)CC1 961076038 PZSNVLDYVGCNIV-UHFFFAOYSA-N 321.349 -0.957 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CN(C(=O)[C@H]3CCNC3=O)C[C@H]2C1 962051370 VSGYSMXXVGZUIR-YFKTTZPYSA-N 304.350 -0.801 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2COCCN2C(=O)C2CC2)nn1 964197370 WYPKQTCPUIRUNG-GFCCVEGCSA-N 319.365 -0.169 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(CC1)C[C@@H]2NC(=O)C(N)=O 965066139 SQQAQESETLRYTM-WOPDTQHZSA-N 321.377 -0.440 30 20 DBED COCC(=O)N1CC2(C[C@H](NC(=O)c3ccc(C#N)[nH]3)CO2)C1 965690654 PQGVJELVNIWPIL-NSHDSACASA-N 318.333 -0.368 30 20 DBED CN(C[C@H]1CCN1C(=O)C#CC1CC1)C(=O)c1cnnn1C 977646464 PLTOHAQLKQOGMM-GFCCVEGCSA-N 301.350 -0.099 30 20 DBED CC#CCN1C[C@H]2C[C@@H](NC(=O)Cn3cnnn3)CC[C@H]2C1 979513080 JYDILHMPNCGCSG-MJBXVCDLSA-N 302.382 -0.087 30 20 DBED C#CCN1CCCC2(C1)CN(C(=O)Cn1c(O)nnc1O)C2 982131169 RSGXIQXETJNFFF-UHFFFAOYSA-N 305.338 -0.753 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)C(N)=O)C1 982154317 AWTAUQGKCKPCNT-QCNOEVLYSA-N 309.366 -0.536 30 20 DBED C=C(Cl)CN1CCCN(C(=O)CN2CC(=O)NC2=O)CC1 982228326 VRTRQDMNEYCZSG-UHFFFAOYSA-N 314.773 -0.175 30 20 DBED N#CCN1CCN(C(=O)N2CCN(C(=O)C(F)F)CC2)CC1 985822214 HWXQLTOESZFKJL-UHFFFAOYSA-N 315.324 -0.343 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2CCC(=O)N2)C1 990499469 ZPNVEZLBLYAJCE-UPJWGTAASA-N 321.377 -0.427 30 20 DBED CC1(C)CN(C(=O)CC[C@H]2NC(=O)NC2=O)C[C@H]1NCC#N 996583171 GKXQFZPAQFWBDN-NXEZZACHSA-N 307.354 -0.675 30 20 DBED CCC(=O)N1CC[C@@H](C(=O)NC2CN(C(=O)C#CC3CC3)C2)C1 999685549 LCYPCSIUJZQVOC-CYBMUJFWSA-N 317.389 -0.015 30 20 DBED N#Cc1ccc(C(=O)N2C[C@@H]3C(NC(=O)c4cnn[nH]4)[C@H]3C2)[nH]1 1013386091 NWJPLEGBXLCIAP-IUCAKERBSA-N 311.305 -0.495 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H]2C(NC(=O)[C@H]3CNC(=O)N3)[C@@H]2C1 1013680322 JOQHXLHCBCXOML-OPRDCNLKSA-N 306.366 -0.547 30 20 DBED C=CCCN1CC[C@@H](NC(=O)c2c[nH]nc2S(N)(=O)=O)C1 1015681513 KFOCBWGFYVIGIN-SECBINFHSA-N 313.383 -0.563 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCN([C@H](C)C(=O)N(C)C)C2)nn1 1015810965 WEDFFOBMBRRLHI-NEPJUHHUSA-N 320.397 -0.255 30 20 DBED C[C@H]1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)CN1C(=O)CC(N)=O 1018090770 APVHDXJPRUXETN-GXSJLCMTSA-N 317.349 -0.129 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(CN(C(=O)CN3CCCC3=O)C2)C1 1018761125 LEPVCEPLBVSVPS-LBPRGKRZSA-N 318.377 -0.171 30 20 DBED CC#CCN1CCC[C@H](CNC(=O)[C@H]2CCS(=O)(=O)N2)C1 1023753706 MQKFEUBWYQBYEG-CHWSQXEVSA-N 313.423 -0.470 30 20 DBED C=CCN1CCCC[C@@H]1CNC(=O)c1cn(CC(N)=O)nn1 1024813224 WTUFEDYZUUFWCN-LLVKDONJSA-N 306.370 -0.466 30 20 DBED C=CCn1cc(C(=O)NCC2CN(Cc3nncn3C)C2)nn1 1032035439 ZHJWRRXACMKDNY-UHFFFAOYSA-N 316.369 -0.546 30 20 DBED C=CCn1cc(C(=O)NCC2CN([C@H]3CCCNC3=O)C2)nn1 1032035632 ICDFLZLJDAHQQV-ZDUSSCGKSA-N 318.381 -0.596 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)CN2C(=O)C(=O)N(C)C2=O)C1 1033469800 QDANBROBJNMHON-JTQLQIEISA-N 308.338 -0.874 30 20 DBED C#CCCN1CCCC[C@H](NC(=O)CN2C(=O)CNC2=O)C1 1034519233 BRCOBVYXXHACJW-LBPRGKRZSA-N 306.366 -0.468 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)[C@H]2CCc3cncn3C2)C1 1035418436 HOFFVIWJQRERCR-ZFWWWQNUSA-N 302.378 -0.104 30 20 DBED N#CCN1CCO[C@@H](CNC(=O)[C@H]2CCc3nc[nH]c3C2)C1 1035572654 CZFXZJWOMPEDOW-RYUDHWBXSA-N 303.366 -0.145 30 20 DBED C=CCN1CC[C@H]2CN(C(=O)CN3CCN(C)C(=O)C3)CC[C@H]21 1036752686 DCMKYPBSULTOBX-LSDHHAIUSA-N 320.437 -0.131 30 20 DBED C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CN1C(=O)CNC1=O 1039467311 DETAWYSBKCWGDF-OLZOCXBDSA-N 318.377 -0.373 30 20 DBED C#CCCCC(=O)NC[C@]1(O)CCN(C(=O)c2cncn2C)C1 1039576842 YKDAORVEENTAIU-MRXNPFEDSA-N 318.377 -0.083 30 20 DBED C=CCCCC(=O)N1CC[C@](O)(CNC(=O)c2cnn[nH]2)C1 1040268867 LGFKJTQPKSOEDM-AWEZNQCLSA-N 307.354 -0.146 30 20 DBED CN1C[C@@H](C(=O)N2CC[C@]3(CCCN(CC#N)C3)C2)NC1=O 1040327452 FWQFSFDWTBOWNS-WFASDCNBSA-N 305.382 -0.152 30 20 DBED C[C@@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)c2ccnn2C)C1 1040762639 KVFRQFUJAADEEF-IINYFYTJSA-N 305.338 -0.727 30 20 DBED C[C@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)c2ccnn2C)C1 1040762640 KVFRQFUJAADEEF-QMTHXVAHSA-N 305.338 -0.727 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@]3(CCN(CC(N)=O)C3)C2)[nH]1 1041222190 QVRAGTQZAUFFLR-HNNXBMFYSA-N 301.350 -0.090 30 20 DBED N#CCSCC(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1041568047 DZCNRSGDOXQBGW-UHFFFAOYSA-N 307.375 -0.654 30 20 DBED C[C@@H]1CN(c2nccnc2C#N)C[C@H]1NC(=O)Cn1cncn1 1041945867 CTROFQYDOGSWKU-ZYHUDNBSSA-N 312.337 -0.419 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)C23CCN(CC2)C3)C1 1041956430 LMGLPZOQMWPDHL-UHFFFAOYSA-N 307.394 -0.262 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)c2[nH]nnc2C)C1 1042807831 ZMKOJTNCVGUFAD-UHFFFAOYSA-N 305.338 -0.780 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)c2cnccn2)C1 1042937008 WQIUBECREVTGGE-UHFFFAOYSA-N 302.334 -0.561 30 20 DBED C[C@H]1CCCN1CC(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042963176 JOABIXYAHFXXMD-ZDUSSCGKSA-N 319.405 -0.426 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)Cc2cncn2C)C1 1044460574 UKXQSRSZMYKNJM-UHFFFAOYSA-N 320.393 -0.136 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)CCc2ncc[nH]2)C1 1045540603 JJNSNNNGHVCAQL-SNVBAGLBSA-N 305.338 -0.809 30 20 DBED C#CCN1CC[C@@H](N2CCN(C(=O)c3nonc3C)CC2)C1 1046089291 BEQFWLNIUIWVJS-CYBMUJFWSA-N 303.366 -0.157 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@@H]2CCCO2)C1 1046813895 BJGSJCYRDRMOMP-AGIUHOORSA-N 324.377 -0.554 30 20 DBED N#CCN1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2COC(=O)N2)C1 1046935431 NNFSOJFEZNDDSU-IUCAKERBSA-N 302.281 -0.308 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)Cc2cnc[nH]2)C1 1047170989 CPCHSSQBFQYFMA-UHFFFAOYSA-N 304.350 -0.555 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3nnnn3CC2)C1 1047536919 LVSZEVQOZHSTFE-AGIUHOORSA-N 320.397 -0.685 30 20 DBED C=C(C)CCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cn2ncnn2)C1 1048884909 PNQWHENUMGWVOX-RYUDHWBXSA-N 322.369 -0.941 30 20 DBED N#CCN1CCOC[C@@H]1CNC(=O)c1cn(CC2CC2)nn1 1051187954 CQKQMBGATFGHLG-LBPRGKRZSA-N 304.354 -0.358 30 20 DBED C[C@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1CNC(=O)CNC(N)=O 1052558483 CUZQUVRDNNUVOA-NWDGAFQWSA-N 322.409 -0.085 30 20 DBED C#CCN1CC2(C1)CN(C(=O)[C@@H](C)CN1CCOCC1)CCO2 1053533228 ROPSXUPEAGDAIJ-HNNXBMFYSA-N 321.421 -0.499 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)CC(N)=O 1056403721 ZSAWXOLKNOXFDU-JHJVBQTASA-N 321.377 -0.508 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)[C@@H]1C[C@H]1C(=O)OC 1057170883 FLPZESHNWUADMQ-VXGBXAGGSA-N 312.366 -0.301 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)CCn1cccn1 1057517428 SXOADQBSWGQTJL-UHFFFAOYSA-N 320.393 -0.130 30 20 DBED C=C(C)C[C@@H](C)C(=O)N(CCO)CCNC(=O)Cn1cncn1 1058464398 VAIWXBDGRZVIKU-CYBMUJFWSA-N 323.397 -0.183 30 20 DBED Cc1ccc(C#N)c(N2CC[C@H](NC(=O)[C@H]3CNC(=O)N3)C2)n1 1058531488 QPMUCMDFCFSDIS-NWDGAFQWSA-N 314.349 -0.362 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)c1cccc(O)n1 1058652630 BLAGSRBZRASBRZ-JTQLQIEISA-N 306.322 -0.502 30 20 DBED N#Cc1ccc(NC[C@@H]2CCCN(C(=O)CC(N)=O)C2)nn1 1060008695 CYOSBOJAIYBAMI-JTQLQIEISA-N 302.338 -0.126 30 20 DBED N#Cc1cncc(NC[C@H]2CCN(C(=O)[C@@H]3COC(=O)N3)C2)n1 1060864999 HYVZOUARLPLMOF-KOLCDFICSA-N 316.321 -0.283 30 20 DBED Cn1nnc(C(=O)N2CC[C@H](CNc3ccc(C#N)nn3)C2)n1 1060963356 IVPHWAHQSRGREZ-SECBINFHSA-N 313.325 -0.554 30 20 DBED C=CCCC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1COC(=O)N1 1061408442 VMGSHOOGUUQAFS-MNOVXSKESA-N 311.338 -0.595 30 20 DBED Cn1nnc(C(=O)NC[C@@H]2CCCN2c2nccnc2C#N)n1 1061429465 YHEIDIJNBSNRJI-VIFPVBQESA-N 313.325 -0.729 30 20 DBED C#CCC1(C(=O)NC[C@@H]2COCCN2C(=O)CC(N)=O)CCC1 1061635903 ZCJYXOBJRZXHQX-GFCCVEGCSA-N 321.377 -0.601 30 20 DBED C=CC(C)(C)C(=O)NC[C@@H]1COCCN1C(=O)[C@H]1CNC(=O)N1 1061753572 OMYVPMNCHCOFCO-GHMZBOCLSA-N 324.381 -0.776 30 20 DBED C=CCOCC(=O)N1CCOC[C@H]1CNC(=O)c1ccnnc1 1061929246 PDYDTVUUXRVCND-CYBMUJFWSA-N 320.349 -0.364 30 20 DBED N#Cc1cnc(N2C[C@@H]3C[C@H]2CN3C(=O)c2nccnc2N)cn1 1062459749 VBYJVESXJRKWIT-QWRGUYRKSA-N 322.332 -0.176 30 20 DBED C=CCOCC(=O)NCC1(NC(=O)[C@H]2CCC(=O)NC2)CCC1 1062704373 INQUVFYKRVYDCG-LBPRGKRZSA-N 323.393 -0.130 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(NC(=O)[C@@H](C)CC(N)=O)CCC1 1063046819 RPBWDSULBUSLHO-NWDGAFQWSA-N 323.393 -0.309 30 20 DBED C[C@@H]1CN(C(=O)CC(N)=O)CC[C@@H]1Nc1nccnc1C#N 1063713869 PZSPSICPTHPWDA-ZJUUUORDSA-N 302.338 -0.127 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)c2c[nH]c(=O)cn2)CCC1 1064306561 LCUUMRUYSXEUSN-SECBINFHSA-N 303.322 -0.302 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H]1CN(C(=O)c2cc[nH]n2)CCO1 1064890674 ONVITTUNVBFRPN-VXGBXAGGSA-N 320.349 -0.595 30 20 DBED C=CCCC(=O)N1CCO[C@H](CNC(=O)CNC(=O)C2CC2)C1 1064955911 NNLLYNRVVDEIOY-CYBMUJFWSA-N 323.393 -0.178 30 20 DBED C=CCCC(=O)N1CCO[C@H](CNC(=O)COCCOC)C1 1064956503 YWHOZEMMDWBZGY-CYBMUJFWSA-N 314.382 -0.041 30 20 DBED C[C@@]1(NC(=O)[C@H]2COCCO2)CCN(c2nccnc2C#N)C1 1065210247 LUQWEHUHGYOYDF-IUODEOHRSA-N 317.349 -0.151 30 20 DBED CC#CCCCC(=O)NC[C@H]1CN(C(=O)c2cnn[nH]2)CCO1 1065327608 BCMHTMYBRXLIEW-LBPRGKRZSA-N 319.365 -0.045 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H](NC(=O)C2(C(N)=O)CC2)CC1 1066461392 YWVJQIMGWRKMES-GHMZBOCLSA-N 306.366 -0.091 30 20 DBED Cn1cnc(C(=O)N2C[C@H]3CC[C@H]2CN3c2nccnc2C#N)n1 1068042147 WDNXXUHQKYOVAF-MNOVXSKESA-N 324.348 -0.030 30 20 DBED C=CCCC(=O)N1CCOC2(C1)CN(C(=O)[C@@H]1COCCO1)C2 1068343611 AWHIRDXSABZVTB-ZDUSSCGKSA-N 324.377 -0.192 30 20 DBED CC(C)[C@@H](O)C(=O)N[C@H]1COC2(C1)CN(C(=O)C#CC1CC1)C2 1068848013 OVOQIKRPMDXALX-UKRRQHHQSA-N 320.389 -0.097 30 20 DBED C=CCOCC(=O)N1CC2(C[C@H](NC(=O)c3cnco3)CO2)C1 1068936739 JOGBAPMVXKSVNF-NSHDSACASA-N 321.333 -0.023 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)C23CCN(CC2)C3)C1 1070076143 JGBYMVMPNAIFCH-KGLIPLIRSA-N 316.409 -0.099 30 20 DBED C=CCN1C[C@H]2C[C@H]3CN(C(=O)[C@H]4CCN(C)C4=O)C[C@@]3(C1)O2 1070839005 DQRKOWBORLRNDH-QDEZUTFSSA-N 319.405 -0.048 30 20 DBED N#CCN1CCNC(=O)CCN(C(=O)c2cncs2)CC1 1070945148 ZCHMXMQEGPWXCB-UHFFFAOYSA-N 307.379 -0.069 30 20 DBED CC#CCN1CCNC(=O)CCN(C(=O)Cc2nc[nH]n2)CC1 1071014478 QKZCIWHLDGMAJC-UHFFFAOYSA-N 318.381 -0.979 30 20 DBED C=C(Cl)CN1CC[C@]2(C1)CN(C(=O)C(N)=O)C[C@@H](C)O2 1071206686 NUHSROWXZUPANM-MFKMUULPSA-N 301.774 -0.084 30 20 DBED NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H](NC(=O)C#CC2CC2)C1 1071348767 RAIMJJGWHZHCHY-UPJWGTAASA-N 303.362 -0.372 30 20 DBED C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1NC(=O)CC(N)=O 1071875338 ULFOJLNGKFFRDP-LDYMZIIASA-N 303.322 -0.662 30 20 DBED C[C@@H]1CC[C@@H](NC(=O)c2cn(C)c(=O)nc2O)CN1CC#N 1072070107 NNPRWXUVWGAZAC-NXEZZACHSA-N 305.338 -0.408 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)c2cncnc2O)C[C@H]1C 1072339832 PXQPDUOWBRBPIT-ZYHUDNBSSA-N 320.349 -0.039 30 20 DBED C#CCCN1CCCO[C@H](CNC(=O)[C@H]2CCC(=O)N2C)C1 1073741629 WKJMBXWTKNPPOW-ZIAGYGMSSA-N 307.394 -0.162 30 20 DBED C=CCN1CCCO[C@H](CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 1073769444 HHEFCZQAGPVUKJ-FRRDWIJNSA-N 311.382 -0.588 30 20 DBED COc1ccc(C(=O)NC[C@@H]2CN(CC#N)CCCO2)nn1 1073845491 QJWHVPRHDYNNBL-LLVKDONJSA-N 305.338 -0.171 30 20 DBED C#CCCCC(=O)N[C@@H]1CCN(C(=O)CNC(N)=O)C[C@H]1C 1073918608 KMVHSTOLGUKZPW-VXGBXAGGSA-N 308.382 -0.189 30 20 DBED N#CCN1CCO[C@@H]2CCN(C(=O)c3c[nH]c(=O)cn3)C[C@@H]21 1074325007 UAUGUPBUMAIUSI-NWDGAFQWSA-N 303.322 -0.791 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(O)CCN(C(=O)COC)CC1 1074416581 YTPZNTQHRSZCHX-AWEZNQCLSA-N 314.382 -0.570 30 20 DBED C=CCCC(=O)NCC[C@H](C)NC(=O)Cn1ncn(C)c1=O 1075885643 HMIJRFSTKLZBBZ-NSHDSACASA-N 309.370 -0.441 30 20 DBED C#CCCN1C[C@@H]2CCN(C(=O)CN3CC(=O)NC3=O)[C@@H]2C1 1076369393 UUYUVMGUWFNDEG-NWDGAFQWSA-N 304.350 -0.906 30 20 DBED C=CCOCC(=O)N[C@@H](C)CCNC(=O)[C@@H]1CCCNC1=O 1076972767 QZLROKNJPWKYMS-NWDGAFQWSA-N 311.382 -0.274 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)c2nc(C)c(C)[nH]c2=O)C1 1077210673 LMWVCOPQCDIMTE-VXGBXAGGSA-N 306.366 -0.262 30 20 DBED Cc1csc2nc(CC(=O)N[C@@H]3CN(CC#N)C[C@H]3O)cn12 1077501805 OQWWLOQKFPHUJY-VXGBXAGGSA-N 319.390 -0.068 30 20 DBED COCCn1cc(C(=O)N[C@@H](C)CCNC(=O)[C@@H](C)C#N)nn1 1078137891 LSPUJBLLZRHEHE-QWRGUYRKSA-N 322.369 -0.291 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)[C@@H](C)NC(C)=O)C1 1079266529 AGDCIAMEFMUVMH-NEPJUHHUSA-N 323.393 -0.391 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC(CO)(NC(=O)[C@@H](C)C#N)CC1 1080982258 WXYWQZMBWRICAW-QWHCGFSZSA-N 321.377 -0.346 30 20 DBED N#CCSCC(=O)N1C[C@H](CNC(=O)C2CCC2)[C@@H](O)C1 1081133431 MRAZMFOZQBDZDA-RYUDHWBXSA-N 311.407 -0.021 30 20 DBED CCCOCC(=O)NC[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 1081328285 VWDKOUSPQKLYBQ-KGLIPLIRSA-N 308.378 -0.238 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)C2CN(C(C)=O)C2)C[C@H]1O 1081335234 JCVJORRSVJKGIQ-TZMCWYRMSA-N 323.393 -0.634 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)Cn2cncn2)C[C@@H]1O 1081337387 DWJMYHNSEZMLGI-NEPJUHHUSA-N 307.354 -0.820 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2cn(C)cn2)C1 1081406971 AYZZZYYQCNCDPI-DGCLKSJQSA-N 306.366 -0.065 30 20 DBED C#CCCCCC(=O)NC[C@@H]1CN(C(=O)CNC(C)=O)C[C@H]1O 1081417734 XTOSOIRRADTORS-ZIAGYGMSSA-N 323.393 -0.748 30 20 DBED N#CCSCC(=O)N1CCCC[C@H]1CNC(=O)CC(N)=O 1081897489 AFQJEXIOWYZAFJ-JTQLQIEISA-N 312.395 -0.384 30 20 DBED C=C(C)CN[C@@H]1CN(C(=O)CC[C@H]2NC(=O)NC2=O)C[C@H]1C 1082908591 SYVAZPMGEOBVEO-IJLUTSLNSA-N 308.382 -0.013 30 20 DBED N#CCN[C@H]1CCCCCN(C(=O)CN2CCC(=O)NC2=O)C1 1088410908 UGPRKNWVHAQDLT-LBPRGKRZSA-N 321.381 -0.187 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2cnc3n2CCOC3)[C@@H](O)C1 1090336432 HGHITXIABLCDBQ-PWSUYJOCSA-N 305.338 -0.898 30 20 DBED C=CCCN1CC[C@@H](NC(=O)CN2CCC(=O)NC2=O)[C@H](O)C1 1090710442 VCDHJKOEYCFSRV-VXGBXAGGSA-N 324.381 -0.944 30 20 DBED C[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1NC(=O)CCNC(N)=O 1090711566 YKUZZUJFSRHJAC-ZYHUDNBSSA-N 316.365 -0.047 30 20 DBED COCC(=O)N(C)CCOCCN(C)c1ccnc(C#N)n1 1091873332 LBZBUPSLGIUEAX-UHFFFAOYSA-N 307.354 -0.094 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)Cc3cc[nH]n3)c3nccn32)C1 1092358296 FDHUUNHKJKXPFC-LBPRGKRZSA-N 311.349 -0.056 30 20 DBED CC(=O)N[C@@H](C)C(=O)N[C@H]1[C@@H]2CN(c3nccnc3C#N)C[C@@H]21 1093207240 DNCKUEQGXFLLJX-MVVXRAEJSA-N 314.349 -0.576 30 20 DBED CN1C[C@@H](C(=O)NCCN=c2cc[nH]cc2C#N)CCC1=O 1093679779 AOAYFYDUPJRKEV-NSHDSACASA-N 301.350 -0.228 30 20 DBED N#Cc1c[nH]ccc1=NCCNC(=O)C[C@H]1CCS(=O)(=O)C1 1093991584 DMMXAICAUYGOKE-LLVKDONJSA-N 322.390 -0.272 30 20 DBED Cn1nnc(C(=O)NCCNc2ncc(C#N)cc2Cl)n1 1094042947 PFHJJYJKYSHBBU-UHFFFAOYSA-N 306.717 -0.028 30 20 DBED CC#CCN1CC(n2cc(CNC(=O)c3cnn[nH]3)nn2)C1 1094304270 XGARRMOMZIOYHQ-UHFFFAOYSA-N 300.326 -0.794 30 20 DBED N#CCN1CC(N2C[C@H](NC(=O)C3CC(F)(F)C3)CC2=O)C1 1094719481 DMIDHUNQEZXDMV-SNVBAGLBSA-N 312.320 -0.043 30 20 DBED C=C(C)CCN1CC(N2C[C@@H](NC(=O)c3cnn[nH]3)CC2=O)C1 1094754156 ZXUBHDJAYOFHTD-NSHDSACASA-N 318.381 -0.214 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)Cc3cnoc3)CC2=O)C1 1094777840 CTFKVRLDMSLTKT-GFCCVEGCSA-N 304.350 -0.196 30 20 DBED Cn1cnc(C(=O)NCCCN=c2cc[nH]c(C#N)n2)cc1=O 1094864944 IFJAXWORCAOTBF-UHFFFAOYSA-N 313.321 -0.904 30 20 DBED CCN(CCCNC(=O)[C@H]1CCNC1=O)c1cncc(C#N)n1 1095943000 WMKPSXGATKSGHM-GFCCVEGCSA-N 316.365 -0.183 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CCN(c2nccnc2C#N)C1 1096360579 PFLMIBXCZHCZKW-NSHDSACASA-N 312.333 -0.817 30 20 DBED N#Cc1nccnc1N[C@@H](CNC(=O)CCNC(N)=O)C1CC1 1096668396 GFOSXZDDDDTKTC-NSHDSACASA-N 317.353 -0.287 30 20 DBED COC(=O)c1nc(=N[C@H]2C[C@@H](NC(=O)[C@H](C)C#N)C2)cc[nH]1 1097165464 AUWFHKGPMKTSBR-BBBLOLIVSA-N 303.322 -0.096 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NC 1097248141 RPZVMYFXEWBRPG-KBXIAJHMSA-N 318.421 -0.449 30 20 DBED C[C@H](CNC(=O)CN1CCOCC1=O)Nc1ccc(C#N)cn1 1098357160 ZUHIVOSJJCGJQZ-LLVKDONJSA-N 317.349 -0.271 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@@H](C)Nc1ccc(C#N)nn1 1098984998 PZNKWYMFPHFQFD-LLVKDONJSA-N 314.349 -0.206 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)c2cccn2C)[C@H](O)C1 1099669637 VNMHLZJSEAWVIM-GXTWGEPZSA-N 320.393 -0.508 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CCc2ccn(C)n2)[C@H](O)C1 1099858020 GDVSFNCOXBZOBB-HUUCEWRRSA-N 304.394 -0.073 30 20 DBED C#CCN1CC[C@H](NC(=O)CCn2ccccc2=O)[C@H](O)C1 1099858872 SLFXETACCRONPO-UONOGXRCSA-N 303.362 -0.577 30 20 DBED C=CCCCC(=O)N[C@H]1CCN(Cc2nc(O)n[nH]2)C[C@H]1O 1099975644 FRFJFHAZUCRVTQ-WDEREUQCSA-N 309.370 -0.082 30 20 DBED CC#CCN1CC[C@H](NC(=O)CCc2cn(C)nn2)[C@@H](O)C1 1100147823 XTRFFNNMDUSTMN-KBPBESRZSA-N 305.382 -0.678 30 20 DBED COC[C@]1(C(=O)NCCN(C)c2cncc(C#N)n2)CCOC1 1100238919 XQYLCPMGGYXEGQ-OAHLLOKOSA-N 319.365 -0.046 30 20 DBED C#CCCNC1CC(CNC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 1100528584 JFRFQLIRVSDXDW-YIZWMMSDSA-N 315.377 -0.127 30 20 DBED N#Cc1cnccc1N1CC[C@H](CNC(=O)Cn2ncnn2)C1 1101017553 ISEDSKJNXFEMSB-LLVKDONJSA-N 312.337 -0.418 30 20 DBED N#CCN1CC[C@@H](Oc2ccnc(CNC(=O)C(N)=O)c2)C1 1101096841 CRPXCYLQRYKVSO-GFCCVEGCSA-N 303.322 -0.840 30 20 DBED CN(C)CCOCC(=O)N(C)CCNc1ccc(C#N)nn1 1101694232 RSKSKHQUXIXIMD-UHFFFAOYSA-N 306.370 -0.203 30 20 DBED CN(CCN=c1cc[nH]cc1C#N)C(=O)C[C@H]1CCNC1=O 1101823032 LRUVZPMGPJQBGJ-LLVKDONJSA-N 301.350 -0.228 30 20 DBED CCN(C(=O)CC(=O)NC)[C@@H]1CCN(c2ccc(C#N)nn2)C1 1102795243 CGEXRRXHOVCOGZ-GFCCVEGCSA-N 316.365 -0.088 30 20 DBED C[C@@H](CN=c1cc[nH]cc1C#N)N(C)C(=O)CS(C)(=O)=O 1104498060 QOXGKRLYTCNWOX-JTQLQIEISA-N 310.379 -0.321 30 20 DBED CN(CCN(C)c1ccc(C#N)nn1)C(=O)c1cnn(C)c1N 1105375351 VIOFZVIOHHVDGN-UHFFFAOYSA-N 314.353 -0.128 30 20 DBED CN1CCC[C@@H]1C(=O)NC[C@H](O)CNc1ccc(C#N)nc1 1105756659 XUKHZULRKXTSJQ-ZIAGYGMSSA-N 303.366 -0.064 30 20 DBED C=CCNC(=O)[C@H](C)NC[C@@H]1CN(C(=O)CNC(C)=O)C[C@H]1C 1105768589 RVMNRXCHUQWGEZ-MBNYWOFBSA-N 324.425 -0.503 30 20 DBED CN1CCO[C@@H](C(=O)NC[C@H](O)CNc2ccc(C#N)cn2)C1 1105769938 RJYVCBYLUZQOOP-CHWSQXEVSA-N 319.365 -0.827 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)c2cn[nH]c2)C[C@H]1C 1105860672 CHQLCLRALHLEOJ-DGCLKSJQSA-N 303.366 -0.543 30 20 DBED N#Cc1cnc(NC[C@@H](O)CNC(=O)c2nc[nH]n2)c(Cl)c1 1105932330 GHMMSPUKSSTMQM-MRVPVSSYSA-N 321.728 -0.072 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@H]1C 1106150766 DSDBFVFARKUJJR-VXGBXAGGSA-N 318.381 -0.916 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CNCC(N)=O)C1 1106266707 YTWCYIQAUAUQTB-MCIONIFRSA-N 306.410 -0.747 30 20 DBED COC(=O)NCC(=O)NC/C=C\CNc1cncc(C#N)n1 1107057876 NYHRQTDVGDIZPQ-IHWYPQMZSA-N 304.310 -0.211 30 20 DBED C[C@]1(CNC(=O)/C=C/C2CC2)CN(CC(=O)NCC#N)CCO1 1107838866 GSRBTWNVMFUJEA-APHBUQMISA-N 320.393 -0.201 30 20 DBED CC(C)C#CC(=O)NC[C@@]1(C)CN(CC(=O)NC(N)=O)CCO1 1107927423 WLQUFNQBGDPEOA-HNNXBMFYSA-N 324.381 -0.952 30 20 DBED C[C@@]1(CNC(=O)c2cnc3n2CCOC3)CN(CC#N)CCO1 1108007648 CMZKWOXOEKNFIU-OAHLLOKOSA-N 319.365 -0.242 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)[C@H](NC(C)=O)C(C)C)C1 1108353436 HZFXVAJKGGRTAL-GDBMZVCRSA-N 309.410 -0.013 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)C(=O)Nc2cc(C)on2)C1 1108394619 JATDKDLHWNTKQB-OAHLLOKOSA-N 320.349 -0.238 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)[C@H](C)OCC3CC3)CC2=O)C1 1108522211 PDGGIRPZNGADEI-JSGCOSHPSA-N 319.405 -0.164 30 20 DBED Cc1cc(=NC[C@H](C)NC(=O)[C@H]2CCNC2=O)c(C#N)c[nH]1 1108634987 DHLKJKQOWWALFP-JQWIXIFHSA-N 301.350 -0.264 30 20 DBED C[C@@H](CN(C)c1ccc(C#N)nn1)NC(=O)C1(C(N)=O)CC1 1109217138 KWORDJZJRMGDAB-VIFPVBQESA-N 302.338 -0.445 30 20 DBED C#CCOCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)COC 1109270927 XUBWWWAJFGEIQO-KBXIAJHMSA-N 310.394 -0.245 30 20 DBED C=CCOCC(=O)N(C)CCCNc1ccc2nnnn2n1 1109391335 AUBGSMNIXXZORK-UHFFFAOYSA-N 305.342 -0.018 30 20 DBED N#Cc1cnc(NC2(CNC(=O)[C@H]3CCNC(=O)C3)CC2)cn1 1110120792 WIONBXDYXLYEBG-JTQLQIEISA-N 314.349 -0.065 30 20 DBED C[C@@H]1C[C@H](Nc2ccc(C#N)nn2)CCN1C(=O)CNC(N)=O 1110507759 QTIRMGGXLRRKNE-NXEZZACHSA-N 317.353 -0.192 30 20 DBED Cc1cc(N2CC[C@@](O)(CNC(=O)[C@@H](C)C#N)C2)nc(CO)n1 1111041487 ITZJMYRQZFDEOP-ZUZCIYMTSA-N 319.365 -0.506 30 20 DBED C#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)NS(C)(=O)=O)C1 1111883680 VMVVOHSLLJDPHC-DYEKYZERSA-N 313.423 -0.472 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)Cc2cnn(C)c2)CC1 1112679013 MNPRXFQKEDYLDJ-ZDUSSCGKSA-N 319.409 -0.203 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(c2cnc(F)cn2)C[C@H]1O 1112702324 QFKKESLJECCLBP-WDEREUQCSA-N 310.329 -0.268 30 20 DBED COCCCC(=O)NC[C@@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1112704097 CBMVKDKEHTYFGP-NEPJUHHUSA-N 319.365 -0.312 30 20 DBED CC(=O)NCC(=O)NC1CC(CN=c2cc[nH]cc2C#N)C1 1112812640 NZYYUMSQASGLBL-UHFFFAOYSA-N 301.350 -0.182 30 20 DBED C#CCO[C@H](C)C(=O)N1CCN([C@@H](C)C(=O)NCC=C)CC1 1112841550 BWYROOYHPRHKOP-UONOGXRCSA-N 307.394 -0.140 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)[C@H](C)Nc1cnc(C#N)cn1 1112976162 PYXDKNKCVMOTNV-WDEREUQCSA-N 314.349 -0.207 30 20 DBED CC(=O)N[C@H](C)C(=O)NC[C@@H](C)N(C)c1ccc(C#N)nn1 1113508868 MYUPQABPFRVXCF-NXEZZACHSA-N 304.354 -0.186 30 20 DBED C[C@@H](CNC(=O)C1CS(=O)(=O)C1)N(C)c1cncc(C#N)n1 1113733406 BFSVGNLPRYCPFS-VIFPVBQESA-N 323.378 -0.666 30 20 DBED C=CCOCC(=O)NC1[C@@H]2CN([C@@H](C)c3nnnn3C)C[C@@H]12 1114047792 MZCXCECUHJDWRI-HBNTYKKESA-N 306.370 -0.480 30 20 DBED C=C[C@](C)(O)CC(=O)NC1[C@H]2CN(Cc3cnn(C)n3)C[C@H]12 1114194093 LGXNMBTXZZTLNQ-HUBLWGQQSA-N 305.382 -0.311 30 20 DBED Cc1c[nH]cc1C(=O)NC1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]12 1115236045 SYUHRBMXMRJDPM-VXGBXAGGSA-N 301.350 -0.377 30 20 DBED CN(CC(=O)NCC1(NCC#N)CCCCC1)S(C)(=O)=O 1115561444 YNJKHZRNXCQRGR-UHFFFAOYSA-N 316.427 -0.190 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CCC[C@H]2COC)nn1 1119081321 ZUKHSKSNVSEQQE-LBPRGKRZSA-N 307.354 -0.282 30 20 DBED N#CCNC1(CNC(=O)CC[C@@H]2NC(=O)NC2=O)CCCCC1 1120109887 IVNLMDMMJYNJTN-NSHDSACASA-N 321.381 -0.093 30 20 DBED COC(=O)NCC(=O)NC[C@@H](CO)Nc1ccc(C#N)c(C)n1 1121113082 MDYBLEWKYCTXOE-NSHDSACASA-N 321.337 -0.493 30 20 DBED N#Cc1nccnc1N[C@@H](CO)CNC(=O)c1ccc(O)nn1 1121177396 LJFCQTOUOXXQKC-MRVPVSSYSA-N 315.293 -0.953 30 20 DBED Cc1ccncc1C(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1 1121404187 CWIDPEUZSPFNCW-NSHDSACASA-N 312.333 -0.324 30 20 DBED Cc1cc(N[C@H](CO)CNC(=O)C#CC(C)C)n2ncnc2n1 1121521204 VKCRTZFLPSAJHR-LBPRGKRZSA-N 316.365 -0.019 30 20 DBED Cn1cnnc1COCC(=O)NC1CC2(CC(NCC#N)C2)C1 1122001290 PCEIOICWUOVRRH-UHFFFAOYSA-N 318.381 -0.128 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)[C@@]2(F)CCOC2)nc1 1122412193 WOGNUQAAGCVLLT-SMDDNHRTSA-N 308.313 -0.029 30 20 DBED C[C@@H](C(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1)C(C)(F)F 1122550666 QBRJEIPJPHUXMC-DTWKUNHWSA-N 313.308 -0.050 30 20 DBED C[C@@H]1CC[C@H](C(=O)NC[C@@H](CO)Nc2cnc(C#N)cn2)O1 1122658933 DFQJXXCDBGSYIG-ADEWGFFLSA-N 305.338 -0.195 30 20 DBED CNC(=O)CC(=O)N1C[C@@H](Nc2ccc(C#N)nn2)C[C@@H]1C 1123204836 WOZFBIJDFPHMJA-ONGXEEELSA-N 302.338 -0.114 30 20 DBED CO[C@@H](C)C(=O)N(C)C[C@@H](O)CNc1nc(C)cc(C#N)n1 1124124029 LIXOOHKCLAPGGU-JQWIXIFHSA-N 307.354 -0.077 30 20 DBED C#CCO[C@H](C)C(=O)NCCN[C@H](C)C(=O)NCCCOC 1127051321 FZOSAIUWXSNNQG-CHWSQXEVSA-N 313.398 -0.728 30 20 DBED N#CCNC(=O)CNCCNC(=O)[C@@H]1C[C@@H]2CCCCN2C1 1127256641 QGQOSMTUIISXFX-OLZOCXBDSA-N 307.398 -0.794 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@@H]1CCCCN1C(=O)CC 1128009684 RIRYQNRIRQJYLA-ZDUSSCGKSA-N 322.409 -0.767 30 20 DBED C#CCNC(=O)CN1CCn2ncc(CNC(=O)C(C)C)c2C1 1128214524 WFJGGWIKPZGGIU-UHFFFAOYSA-N 317.393 -0.280 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1ccnc2[nH]cnc12 1128381369 XEBRNLGVSHJDTN-UHFFFAOYSA-N 300.322 -0.973 30 20 DBED CC(=O)NC(C)(C)C(=O)N1C[C@H](n2ccnn2)[C@H](NCC#N)C1 1130043951 IKNCRHRBSNMUPH-NEPJUHHUSA-N 319.369 -0.942 30 20 DBED C=CCCCCCNCCNC(=O)CNC(=O)CNC(C)=O 1130384339 DDMJSWPQOSUWQV-UHFFFAOYSA-N 312.414 -0.309 30 20 DBED C=CCOCC(=O)N1C[C@@H](NC[C@@H](C)O)[C@H](c2cncn2C)C1 1130948681 UCMBPBVXEWTSAZ-MGPQQGTHSA-N 322.409 -0.113 30 20 DBED COCC#CCN1CCN([C@@H]2CCCN(C(C)=O)C2)C(=O)C1 1131701318 RYFBVEIYHXCTNR-OAHLLOKOSA-N 307.394 -0.209 30 20 DBED C=C(C)CN(CC)C(=O)CNCCNC(=O)[C@H]1CCC(=O)N1C 1132762045 FWLQWTMGQOBGRJ-CYBMUJFWSA-N 324.425 -0.262 30 20 DBED C#CCNC[C@H]1CN(C(=O)CN2CC(=O)NC2=O)CC[C@H]1C 1133186055 NDBLHGXFPWFGJE-NEPJUHHUSA-N 306.366 -0.754 30 20 DBED C=C1CC(C)(C(=O)NCCNCCCN2C(=O)CNC2=O)C1 1133566031 REXFBYVTEDSVLY-UHFFFAOYSA-N 308.382 -0.010 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)CCc1cnc[nH]1)NCC(=O)NCC#N 1134545941 UCPDYIOIUUVWPQ-NWDGAFQWSA-N 320.397 -0.145 30 20 DBED C[C@@H](C[C@@H](C)NCC(=O)NCC#N)NC(=O)C(C)(C)C(N)=O 1134657499 KVEVSMNLSPHISL-ZJUUUORDSA-N 311.386 -0.989 30 20 DBED C=CCCn1cc(C(=O)NCCNCC(=O)N(C)CC)nn1 1135072398 UVUHUMZABXSTLV-UHFFFAOYSA-N 308.386 -0.348 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)c1[nH]nnc1C 1135161034 IYUDHKJPFJPOOY-NXEZZACHSA-N 306.370 -0.651 30 20 DBED C=CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)c1c[nH]c(=O)cn1 1135321462 VMXGKYFFAGZITE-MNOVXSKESA-N 321.381 -0.441 30 20 DBED Cc1ccnn1CC(=O)N[C@H](C)C[C@H](C)NCC(=O)NCC#N 1135575177 BSLMVFXPFXNPNS-NWDGAFQWSA-N 320.397 -0.296 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC2(CN(C(=O)c3ncc[nH]3)C2)C1 1147498527 CCVVRYWKALTBQR-GFCCVEGCSA-N 315.377 -0.305 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC2(CCN(CC(=O)NCC=C)C2)C1 1147530110 GIHPASMSTMCYKS-AWEZNQCLSA-N 319.405 -0.139 30 20 DBED C#Cc1ccccc1CC(=O)NCCNCCN1CCNC1=O 1149117860 VVCIFZDURWIRMF-UHFFFAOYSA-N 314.389 -0.059 30 20 DBED C=CCNC(=O)CN(CC)[C@H](C)CNC(=O)[C@H]1COCCO1 1152066848 VZLDJTJCGNEXBT-CHWSQXEVSA-N 313.398 -0.469 30 20 DBED C[C@H](NCCCNC(=O)[C@H](C)C#N)C(=O)NC(=O)NC1CC1 1155860882 YGUAQLDORVXYTG-ZJUUUORDSA-N 309.370 -0.381 30 20 DBED C=CCNC(=O)CNCCCNC(=O)CCNC(=O)[C@@H]1C[C@@H]1C 1159231191 RMFNOWAKEVYNIM-QWHCGFSZSA-N 324.425 -0.453 30 20 DBED COCC#CCNCCCNC(=O)c1cnn(CCN(C)C)c1 1168052351 QEXFNSZNVDYIAI-UHFFFAOYSA-N 321.425 -0.196 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)c1cnn(C)c1OC 1174737742 FKSVXHASOVVPEA-NSHDSACASA-N 321.381 -0.724 30 20 DBED CCCCS(=O)(=O)CC(=O)NCCCNCC#CCOC 1177069044 IFRJZRVPMFKIQC-UHFFFAOYSA-N 318.439 -0.053 30 20 DBED N#CCNC(=O)CN[C@@H]1CCN(C(=O)C[C@H]2CCCCO2)C1 1181957347 ZCROULCLGOLQPZ-CHWSQXEVSA-N 308.382 -0.224 30 20 DBED CNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 1182121157 JEOOGTWOEACWPW-SNVBAGLBSA-N 318.337 -0.854 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)CCc2cnn[nH]2)C1 1185750150 UEQMZNCEPWNKQP-WCQYABFASA-N 318.381 -0.934 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](N(C)C[C@@H]2CCOC2)C1 1189769826 MHQPPNTVIVGAFF-UONOGXRCSA-N 307.394 -0.305 30 20 DBED C=CCOCCN(C)[C@@H]1CCN(C(=O)C2CS(=O)(=O)C2)C1 1190337145 PETFACPMUDWUHO-CYBMUJFWSA-N 316.423 -0.234 30 20 DBED C[C@@H](O)CCCN1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 1192298575 TWJOLSVNANZMEP-LERXQTSPSA-N 306.366 -0.178 30 20 DBED C=CCN(C)[C@H]1CCN(C(=O)CNS(=O)(=O)N(C)C)C1 1192597864 WXJHMHBPECCJTP-NSHDSACASA-N 304.416 -0.899 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)c2nn(C)cc2C)C1 1192770297 IUOPHSCOSVWXQQ-CHWSQXEVSA-N 308.382 -0.294 30 20 DBED CC#CCN(C)[C@H]1CCN(C(=O)CCS(=O)(=O)N(C)C)C1 1194202041 YTODASHXINCEQX-ZDUSSCGKSA-N 315.439 -0.176 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)CC(F)F)C1 1194789906 SEZOGKNTYOXPNM-HBNTYKKESA-N 317.336 -0.812 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C2(C)CC(=C)C2)C1 1196029705 HTFDUKLYZZBKPY-CHWSQXEVSA-N 307.394 -0.194 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCCN(C(=O)CC(=O)N(C)C)CC1 1197389340 SXPDXSWJHFQMKE-CYBMUJFWSA-N 324.425 -0.310 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)CCC2(C)CC2)C1 1197451212 WYKVMZGAZGVOEK-CHWSQXEVSA-N 307.394 -0.523 30 20 DBED C#CCOCCC(=O)N1CCC(N[C@H]2CCN(C)C2=O)CC1 1200523205 LTAOZGQLHVIGHZ-AWEZNQCLSA-N 307.394 -0.162 30 20 DBED CC(C)C(=O)N(C)CC(=O)N1CCCO[C@H](CNCC#N)C1 1200634396 CLFQJKGKHFPRQE-CYBMUJFWSA-N 310.398 -0.169 30 20 DBED CC(C)(C(=O)N1CCCO[C@@H](CNCC#N)C1)S(C)(=O)=O 1201558308 NIORIXSVFISQRD-NSHDSACASA-N 317.411 -0.460 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)[C@@H]2CCN(C)C2)CCCO1 1202058606 LLVWEOYNLTUQTJ-HZPDHXFCSA-N 323.437 -0.205 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@H]2CC[C@H]1N(C(=O)CCOC)C2 1203864567 INYPAMYMYUVIJO-HZSPNIEDSA-N 307.394 -0.259 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCC[C@@H](NCc2nnn(C)n2)C1 1207950732 NJOGYPVUMYSWKQ-BXUZGUMPSA-N 308.386 -0.382 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCC[C@H](NCC(=O)NCC#N)C1 1207951726 WNNXYXCMFXPVEH-SWLSCSKDSA-N 308.382 -0.466 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)CN2CCC[C@@H]2C)[C@H](C)C1 1208591004 MVSXTICJTQDVJF-QLFBSQMISA-N 320.437 -0.343 30 20 DBED C=CCCn1cc(C(=O)N2CCC[C@@H](NCC(=O)NC)C2)nn1 1210051372 IOWWBTKUFNNUMT-GFCCVEGCSA-N 320.397 -0.206 30 20 DBED CCn1ncc(CN2C[C@@H](NC(=O)[C@@H](C)C#N)[C@H](OC)C2)n1 1212039976 ZDYSJVRPMPMPSP-CYZMBNFOSA-N 306.370 -0.227 30 20 DBED C=CCCN1C[C@@H](NC(=O)C(=O)NCC(F)F)[C@H](OC)C1 1212497502 PGEMGBQTCVLQRD-NXEZZACHSA-N 305.325 -0.241 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2cnns2)C[C@H]1C 1214227161 PZMGNBVNTNWWGV-GMTAPVOTSA-N 321.406 -0.274 30 20 DBED C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1NCC(=O)NCC#N 1214450268 SKDRJUHQCCOMMC-ZWNOBZJWSA-N 314.349 -0.424 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](NCc2cnns2)[C@H](C)C1 1214474109 ZLKHKYMIFYQPTH-ZYHUDNBSSA-N 321.406 -0.386 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CCCC(N)=O)C[C@H]1C 1217016118 KJULXUSRCLDXAD-JHJVBQTASA-N 324.425 -0.231 30 20 DBED COCC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)C1=CCOCC1 1217675509 RUWRDDMHPUYULC-JKSUJKDBSA-N 320.389 -0.106 30 20 DBED N#CCSCC(=O)N[C@@H]1CN(CC[C@@H]2CCCO2)C[C@@H]1O 1219216624 RHKCGZAYDATCPF-XQQFMLRXSA-N 313.423 -0.026 30 20 DBED C=CCC1(C(=O)N[C@@H]2CN(CC(=O)NC(N)=O)C[C@@H]2O)CCC1 1220293919 ZHDVFAUXIPUPRO-MNOVXSKESA-N 324.381 -0.911 30 20 DBED C=C(C)CCN1CC[C@H]1CN(C)C(=O)Cn1cnc(C(N)=O)n1 1234413315 IMMZBNIOHGVACD-LBPRGKRZSA-N 320.397 -0.124 30 20 DBED CC#CCN1CC[C@H]1CN(C)C(=O)CN(C)S(C)(=O)=O 1234976003 SPYSBQLAOKUXIK-LBPRGKRZSA-N 301.412 -0.566 30 20 DBED Cn1c(=O)oc2cc(S(=O)(=O)NCC(=O)NCC#N)ccc21 1257431761 HPAOKVMFKXRZAB-UHFFFAOYSA-N 324.318 -0.950 30 20 DBED C=CCn1cnnc1S(=O)(=O)Cc1nc(N)nc(N(C)C)n1 1319529259 BQIQFCGRFNOXDU-UHFFFAOYSA-N 324.370 -0.729 30 20 DBED C[C@H](CO[C@@H]1CCOC1)NC(=O)C(=O)N1CC[C@@](F)(C#N)C1 1323633215 PRVGUTAZUOPMEV-JTNHKYCSSA-N 313.329 -0.239 30 20 DBED CC#CCS(=O)(=O)NC(=O)[C@H]1CC12CCS(=O)(=O)CC2 1324192089 HPPYEZJHNRWSLW-SNVBAGLBSA-N 319.404 -0.329 30 20 DBED CC(=O)OC1CCN(C(=O)C(=O)Nc2cnn(CC#N)c2)CC1 1324381061 CEBUTSMYWJNMCP-UHFFFAOYSA-N 319.321 -0.101 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H](C)C(=O)N1CCS(=O)(=O)CC1 1325291704 SENRAHIDTMLUQY-GWCFXTLKSA-N 318.395 -0.925 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@H](C)n2ccnc2)CC1 1325904477 RTANUPBDNBTNHT-ZDUSSCGKSA-N 303.366 -0.662 30 20 DBED Cc1nc2n(n1)CCN(C(=O)C(=O)N[C@@H]1CC[C@H](C#N)C1)C2 1325953630 RHLXBTNSGVTVGN-WDEREUQCSA-N 302.338 -0.263 30 20 DBED CCOC[C@@H]1CCN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)C1 1326227806 PPKJZOXCJSSFOV-DOMZBBRYSA-N 309.366 -0.252 30 20 DBED C=CCOCCNC(=O)C(=O)N1CCC[C@@H](OCCOC)C1 1327424086 CDJBMSRZHRTMNL-CYBMUJFWSA-N 314.382 -0.041 30 20 DBED C#CCOCCNC(=O)C(=O)NC[C@@H]1COC2(CCCCC2)O1 1328984754 BTZPCTAUARISIJ-CYBMUJFWSA-N 324.377 -0.056 30 20 DBED C[C@H](C#N)OCCN1C(=O)N[C@@H](CC(=O)N2CCOCC2)C1=O 1333673735 ZHIOZEQBUDMDPF-MNOVXSKESA-N 324.337 -0.916 30 20 DBED COc1ccc(C=NNC2=NC[C@H](C)N2)cc1OCC(N)=O 1337428938 JLNRHCVMDFBXLV-VIFPVBQESA-N 305.338 -0.170 30 20 DBED C[C@H](CC#N)NC(=O)C(=O)Nc1cccc(OCC(N)=O)c1 1343336908 QWBJRTHPTPLHGG-SECBINFHSA-N 304.306 -0.092 30 20 DBED CSC1(CNC(=O)NCC(=O)NCC#N)CCOCC1 1346200646 OMMVUBLCOYFBKC-UHFFFAOYSA-N 300.384 -0.162 30 20 DBED C=CCNC(=O)Cn1nnnc1N1CCC(O)(C(F)F)CC1 1355582139 LJBSMRQLUULBGK-UHFFFAOYSA-N 316.312 -0.428 30 20 DBED CO[C@@H]1CN(C(=O)CCn2cc(C#N)c(O)nc2=O)CCO1 1362352827 PNKNGODZVVNVDD-NSHDSACASA-N 308.294 -0.958 30 20 DBED C[C@H](NCC(N)=O)[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCO1 1369148723 NRZONWHRIZFNIS-JOYOIKCWSA-N 305.338 -0.809 30 20 DBED CC(C)[C@@H](CNC(=O)CNC(=O)C1CC1)NC(=O)[C@H](C)C#N 1375960447 UIFMCIVQNYIUGV-ZYHUDNBSSA-N 308.382 -0.071 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1C[C@@H](NC(=O)CN2CCCC2=O)C1 1384545535 FIIPSZRVJLTCHH-UTUOFQBUSA-N 306.366 -0.221 30 20 DBED C[C@H](C#N)C(=O)NCC1CN(C(=O)C[C@H]2CCN(C)C2=O)C1 1389923882 QPMBLUABLJPNNM-ZYHUDNBSSA-N 306.366 -0.411 30 20 DBED CCn1cc(CCN2CC(O)(CNC(=O)[C@@H](C)C#N)C2)cn1 1402319041 KWCJTIFSQZAKSO-LBPRGKRZSA-N 305.382 -0.232 30 20 DBED C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)CS(=O)(=O)NC)C1 1410846555 IQYBSIGBNQFBSB-UWVGGRQHSA-N 309.819 -0.133 30 20 DBED N#Cc1cccc(CC(=O)NC[C@]2(O)CCS(=O)(=O)C2)c1 1412967552 JERHDVGIHPNCSW-CQSZACIVSA-N 308.359 -0.233 30 20 DBED COC(=O)[C@@H](CO)NS(=O)(=O)c1c(C)cc(F)cc1C#N 1413323748 SHVGONSHSSXZIV-SNVBAGLBSA-N 316.310 -0.182 30 20 DBED N#Cc1cccc(CN2CCN(C(=O)Cn3ncnn3)CC2)c1 1415132411 KCUNQTMCYYNPPL-UHFFFAOYSA-N 311.349 -0.111 30 20 DBED C[C@@H](C#N)C(=O)N1CC(CNC(=O)CN(C)C(=O)C2CC2)C1 1416091855 CPMTZAAGPYATAT-JTQLQIEISA-N 306.366 -0.411 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](C)CCNC(=O)c1cc(=O)n(C)cn1 1429059972 CMXHMVDEBXXTHK-VHSXEESVSA-N 305.338 -0.435 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1 1430062475 SEFAEOUUYWMETK-KBPBESRZSA-N 322.409 -0.072 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1cnc2n1CCC2 1433312402 GXMJDXPLQKYMKQ-UWVGGRQHSA-N 305.338 -0.804 30 20 DBED N#Cc1cnn(CC(=O)NCc2ccc(OCC(N)=O)cc2)c1 1434455707 NLBBBWMYSSZDHZ-UHFFFAOYSA-N 313.317 -0.065 30 20 DBED CCN(CCNC(=O)CCS(=O)(=O)NC)C(=O)[C@H](C)C#N 1455576342 IISVQVNOQZOTPB-SNVBAGLBSA-N 318.399 -0.950 30 20 DBED Cn1cc(C(=O)NCC2(NC(=O)c3ccc(C#N)[nH]3)CC2)nn1 1458923824 BTOMWZLZSUMXJB-UHFFFAOYSA-N 313.321 -0.293 30 20 DBED CN(Cc1cccc(O)n1)S(=O)(=O)N1CCO[C@H](C#N)C1 1475718209 OJQVUBDRWGWKNP-LLVKDONJSA-N 312.351 -0.312 30 20 DBED CNC(=O)COc1cccc(CC(=O)[C@H](C#N)C(=O)NC)c1 1523894405 KLVLTNSYZXQRBL-LBPRGKRZSA-N 303.318 -0.191 30 20 DBED N#CC1(CS(=O)(=O)N2CC(O)(C(=O)O)C2)CCCCC1 1571079359 IIQGIBAOGUMCJE-UHFFFAOYSA-N 302.352 -0.078 30 20 DBED C#CCN1CCN(C(=O)Cn2nc(C(=O)O)nc2Cl)CC1 1573311308 MDXXAGZEVGZURV-UHFFFAOYSA-N 311.729 -0.593 30 20 DBED C=CCN1CC[C@H](N[C@@H](C)CN(C)C(=O)CNC(=O)O)C1=O 1573369323 YCYFHCSHUKKBCZ-QWRGUYRKSA-N 312.370 -0.523 30 20 DBED CC(C)(CC#N)CS(=O)(=O)N1CC(n2cc(CN)nn2)C1 1575298076 SKEQSXMVTVDQMW-UHFFFAOYSA-N 312.399 -0.137 30 20 DBED Cc1c(-c2nn[nH]n2)c(=O)n(Cc2ccccc2C#N)c(=O)n1C 1580522926 XUMWVDDLVAUBEX-UHFFFAOYSA-N 323.316 -0.045 30 20 DBED C#CC[C@H](CO)NC[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 1588330700 CSCXJXKGVMHHRH-OLZOCXBDSA-N 317.349 -0.420 30 20 DBED C=C(C)CS(=O)(=O)N[C@H]1CCCCN(CC(=O)O)C1=O 1588443847 YEYNIWGPCLGLSH-JTQLQIEISA-N 304.368 -0.052 30 20 DBED C=C[C@@H]1OCC[C@H]1Nc1c(-c2nn[nH]n2)c(=O)n(C)c(=O)n1C 1588727588 DOOYBFARQYFHHR-SFYZADRCSA-N 319.325 -0.981 30 20 DBED C=CC[C@H](OC(=O)CN1CCC[C@H](C(=O)O)C1=O)C(=O)OC 1588753090 AABVXRJRZNPCKI-UWVGGRQHSA-N 313.306 -0.030 30 20 DBED CC#CC[C@H](CO)NC(=O)C(=O)Nc1cc(C(=O)O)n(C)c1 1588926439 YBCUHENBKRZLGY-SECBINFHSA-N 307.306 -0.448 30 20 DBED N#CC[C@@H](O)CN1CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)O 1594611534 SQBNAMBVWJXHJJ-IWSPIJDZSA-N 323.271 -0.143 30 20 DBED CON(C(=O)Cn1cc(C#N)c(O)nc1=O)[C@H](C)CC(=O)O 1599313764 RJXOXUAXFWZAOG-SSDOTTSWSA-N 310.266 -0.926 30 20 DBED Cn1cc(C2=NO[C@@H](C(=O)N(CC#N)CCC(=O)O)C2)cn1 1600943983 GAHUXCOPHURNQM-LLVKDONJSA-N 305.294 -0.260 30 20 DBED C[C@H]1CN(C(=O)Cn2cc(C(=O)O)cc(C#N)c2=O)CCO1 1604774787 CAEPMOWTEUJFJP-VIFPVBQESA-N 305.290 -0.335 30 20 DBED N#CCc1ccccc1S(=O)(=O)N1C[C@H](O)C[C@H]1C(=O)O 1608189495 WDICTXYQPZCCJN-MNOVXSKESA-N 310.331 -0.039 30 20 DBED N#Cc1ccc(CC(=O)NCCn2cc(C(=O)O)nn2)cn1 1608204242 XPKIRNQVTBEXOQ-UHFFFAOYSA-N 300.278 -0.398 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC[C@H](NC(=O)c2nonc2C)C1 1732092666 GCJXDMSYDUUXHY-NEPJUHHUSA-N 319.365 -0.290 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1C[C@H](NC(=O)c2[nH]cnc2C)C1 1752692720 XQFFIUGIWBFGEK-SRVKXCTJSA-N 303.366 -0.294 30 20 DBED N#CCNC(=O)CNC[C@@H]1CCCN(C(=O)C2=CCOCC2)C1 1752796797 TZNHKTXJBHZSFJ-ZDUSSCGKSA-N 320.393 -0.199 30 20 DBED C=CCNC[C@@H]1CCCN(C(=O)CCNS(C)(=O)=O)C1 1752799007 KKQDYPMTVQZJDV-LBPRGKRZSA-N 303.428 -0.060 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H](C)CNC(=O)c1ccc(=O)n(C)c1 1752884874 HTWANATXARFGOE-RYUDHWBXSA-N 318.377 -0.769 30 20 DBED C=CCNC(=O)CNCCN(C)C(=O)Cn1cc(Cl)cn1 1753235510 FPXZECZWJYDVIF-UHFFFAOYSA-N 313.789 -0.113 30 20 DBED CNC(=O)CN1CCN(CCN(C)C(=O)C#CC(C)(C)C)CC1 1753341973 JSLJPISPBVUSTO-UHFFFAOYSA-N 322.453 -0.142 30 20 DBED Cc1cc(C(=O)NCC2CN(CC(=O)NCC#N)C2)c(C)[nH]1 1753411466 OMPCVAWODPBDMS-UHFFFAOYSA-N 303.366 -0.067 30 20 DBED C#CCNC(=O)CN1CC[C@@H](N(C)C(=O)[C@H](C)NC(=O)CC)C1 1753436152 GARKVFGLIZYQBR-QWHCGFSZSA-N 322.409 -0.817 30 20 DBED COCC#CCN1CC[C@H](N(C)C(=O)c2cncnc2O)C1 1753439845 RDFGDKMAHPOGPK-LBPRGKRZSA-N 304.350 -0.022 30 20 DBED C=CCNC(=O)CNC[C@H]1[C@@H](C)CCCN1C(=O)c1cnn[nH]1 1753807526 NUYHZXGVBHPXOZ-AAEUAGOBSA-N 320.397 -0.063 30 20 DBED Cc1nnsc1C(=O)N(C)CCN(C)CC(=O)NCC#N 1753847445 WSABAUPVNIYDHH-UHFFFAOYSA-N 310.383 -0.510 30 20 DBED C#CCNC[C@H]1CCCC[C@@H]1NC(=O)CN1C(=O)CNC1=O 1754350679 DZJUNENVTHHKNM-NEPJUHHUSA-N 306.366 -0.564 30 20 DBED Cc1nc(C(=O)N(C)CCCNCC#N)nn1-c1nc[nH]n1 1754387909 FKWAAXFACSCYQQ-UHFFFAOYSA-N 303.330 -0.731 30 20 DBED CN(C)CCC(=O)NC1(C)CCN(CC(=O)NCC#N)CC1 1754628957 LZZFVRZMDSBIJX-UHFFFAOYSA-N 309.414 -0.451 30 20 DBED N#CCN1CCC[C@](CO)(NC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1754855690 VAGYFZPPYIDQQR-AYDFFVQHSA-N 323.393 -0.495 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)C(C)(C)N2CCOCC2)CCO1 1755013835 WXNQNOFFULKNBN-OAHLLOKOSA-N 323.437 -0.063 30 20 DBED CC#CCCCC(=O)NC1CC(CNCC(=O)NC(N)=O)C1 1755215786 BMFITNSXCVGCPH-UHFFFAOYSA-N 308.382 -0.141 30 20 DBED C=CCNC(=O)CN[C@H](C)[C@@H](C)NC(=O)C1(C(=O)NC)CC1 1755255000 BTVXVZAFRSJRSW-GHMZBOCLSA-N 310.398 -0.702 30 20 DBED C#CCNC(=O)CN[C@@H](C)[C@H](C)NC(=O)CN1CCC(C)CC1 1755259421 CONUCSHWSHAFGT-GJZGRUSLSA-N 322.453 -0.050 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC([C@H](C)NC(=O)c2nc[nH]n2)C1 1755388359 ZVROGYXQFUGNFQ-VHSXEESVSA-N 306.370 -0.455 30 20 DBED C=C(Cl)CN(C)CCOCCNC(=O)[C@H]1CCNC1=O 1755542675 UMJDFTBFLINRMT-NSHDSACASA-N 303.790 -0.060 30 20 DBED CN1CCC[C@H]1C(=O)N(C)[C@H](CNCC(=O)NCC#N)C1CC1 1755555358 JJCGAYSHLKZWQN-UONOGXRCSA-N 321.425 -0.453 30 20 DBED COCC#CCNC[C@@H](C1CC1)N(C)C(=O)[C@H](C)NC(C)=O 1755555762 DLVMBNAOGJMOIY-WFASDCNBSA-N 309.410 -0.013 30 20 DBED C=C1CCC(C(=O)NC[C@H](CO)NCC(=O)NCC#N)CC1 1755638421 UOTQEBAEAIIUEH-CYBMUJFWSA-N 308.382 -0.561 30 20 DBED CC#CCN[C@@H]1CCN(C(=O)CN(C)S(C)(=O)=O)[C@@H]1C 1755653976 JFDDHBJEKIYXEY-VXGBXAGGSA-N 301.412 -0.520 30 20 DBED C#CCN(C)C[C@@H](O)CN(C)C(=O)[C@@]1(CC(C)C)CCNC1=O 1755802160 QMDYNUVJUYGEPN-RHSMWYFYSA-N 323.437 -0.077 30 20 DBED C#CCNC(=O)CC(=O)N(C)[C@@H](C)CNC(=O)c1cc(C)on1 1756001757 DHFVJVKXAOKGNF-JTQLQIEISA-N 320.349 -0.301 30 20 DBED C#CCOCCC(=O)N1CC([C@H](C)NC(=O)[C@@H]2CCN(C)C2)C1 1756143069 JBWGZANCVMYBMQ-UONOGXRCSA-N 321.421 -0.059 30 20 DBED CC(C)C#CC(=O)N1C[C@H]2[C@H](CNC(=O)Cn3ncnn3)[C@H]2C1 1756202475 ZLDANBHGGUSBKV-XYYAHUGASA-N 316.365 -0.847 30 20 DBED CN(C[C@H](O)CNC(=O)c1cnc(O)n1C)C(=O)C#CC1CC1 1756662964 PZGVYWVQZRJYGC-LLVKDONJSA-N 320.349 -0.912 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@H](NC(=O)[C@@]23COC[C@@H]2C3)C1 1757179853 FTIHHRJLBQZRSP-ZWUHOBOKSA-N 306.362 -0.630 30 20 DBED C#CCOCCC(=O)N1CC[C@@H]1CN(C)C(=O)C1(C(N)=O)CC1 1757301782 KTAUDTGXZJYJDA-GFCCVEGCSA-N 321.377 -0.649 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC(S(C)(=O)=O)CC1 1771689206 JJJPFFKCSBQYSB-JTQLQIEISA-N 323.440 -0.168 30 20 DBED COC(=O)Cn1cc(C(=O)/C=C/c2c(C(=O)O)cnn2C)nn1 1777109668 KGSCLSPJXLADRO-ONEGZZNKSA-N 319.277 -0.221 30 20 DBED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)n3cncn3)C2)C1 1784478383 CAHPMAPGPHBNQX-DOMZBBRYSA-N 317.349 -0.698 30 20 DBED N#CCC(=O)N1CC2(CCCN2C(=O)[C@@H]2CCC(=O)NC2)C1 1841111583 CRNDJBKYQUYOQE-LLVKDONJSA-N 304.350 -0.370 30 20 DBED C/N=C(\NCCNS(C)(=O)=O)N[C@@H]1C[C@H](OC)C1(C)C 261761451 OHLLBUJANMDDBO-ZJUUUORDSA-N 306.432 -0.486 30 20 DBED C=CCN(C(=O)C[C@@H]1COCCN1)[C@@H]1CCS(=O)(=O)C1 262517835 KJOKVURFDPKZMC-VXGBXAGGSA-N 302.396 -0.433 30 20 DBED C#CCOc1ccc(F)cc1NC(=O)C(=O)NC[C@H](O)COC 266650305 NDBJDVSBPFYNKG-NSHDSACASA-N 324.308 -0.100 30 20 DBED CCN1CCN(CC(=O)N2CCSC[C@H]2C#N)C(=O)C1=O 271718809 KMDVCUGPRQCTJD-SNVBAGLBSA-N 310.379 -0.855 30 20 DBED CN(CCN1CCCC1=O)c1c(C#N)c(=O)n(C)c(=O)n1C 301229605 ICEASBZBLLREFF-UHFFFAOYSA-N 305.338 -0.986 30 20 DBED COc1nccc(N/C(O)=N/[C@@H]2CCCS(=O)(=O)C2)n1 328709941 AOOLHEWPPOWICW-MRVPVSSYSA-N 300.340 0.388 30 20 DBED CN1C[C@H](/N=C(/O)N2CCC[C@@H]2CN2CCOCC2)CC1=O 330126718 ISJDVJOEKROGFD-CHWSQXEVSA-N 310.398 -0.072 30 20 DBED CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)NCC#CCO 330599695 FFWAVDVCKOPLPW-GFCCVEGCSA-N 302.396 -0.307 30 20 DBED C[C@@H]1CN(S(=O)(=O)N(C)[C@H](C)CC#N)CCS(=O)(=O)C1 332064883 ZZFIBMOTUQEVAW-GHMZBOCLSA-N 323.440 -0.168 30 20 DBED C[C@@H](C(=O)N(C)CCC#N)N1CCc2c(ncn(C)c2=O)C1 332718090 NCBVRAKSYSWSQZ-NSHDSACASA-N 303.366 -0.101 30 20 DBED C=CCOC[C@H](NC(=O)[C@H](OC)c1cnn(C)c1)C(=O)OC 337185405 SQSCSTPJOOSUFW-NWDGAFQWSA-N 311.338 -0.032 30 20 DBED C[C@@H]1CN(CC(=O)N(CCC#N)CCC#N)C[C@@H](C(N)=O)O1 347084354 AESABWYDLVWHHC-NEPJUHHUSA-N 307.354 -0.783 30 20 DBED COC(=O)[C@H]1CN(C(=O)C(=O)Nc2ccc(C#N)cc2)CCO1 348563551 QEBRXALCRYHQQB-GFCCVEGCSA-N 317.301 -0.103 30 20 DBED COC(=O)Cn1cc(S(=O)(=O)Nc2n[nH]c(C)c2C#N)cn1 351697487 PLIDGWRDDYMUKA-UHFFFAOYSA-N 324.322 -0.240 30 20 DBED C=CCOC[C@H](NC(=O)CCn1cnccc1=O)C(=O)OC 352589426 HSLVAXSGENARSY-NSHDSACASA-N 309.322 -0.506 30 20 DBED CN(C(=O)C(=O)Nc1ccc(C#N)c(F)c1)[C@H]1COC[C@@H]1O 354366991 QRZSUHKRDHQDRO-RYUDHWBXSA-N 307.281 -0.146 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N1CCN(CC(=O)OC)CC1 357132938 MBCOQRGVFWEEDB-LLVKDONJSA-N 312.370 -0.823 30 20 DBED C=C[C@H](C)NC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 362598883 GWTISCYVZOBPGJ-DCAQKATOSA-N 300.380 -0.287 30 20 DBED C=CCNC(=O)CNC(=O)N[C@H]1CCN(C2CCN(C)CC2)C1 371480788 QWDWIVPKGPHCRJ-ZDUSSCGKSA-N 323.441 -0.244 30 20 DBED C=CCN1CC[C@@H](N2CCN(S(C)(=O)=O)[C@@H](C)C2)C1=O 407957268 MVEFWDFGSAFIPT-NWDGAFQWSA-N 301.412 -0.261 30 20 DBED COC(=O)[C@@H]1CN(C)CCN(C(=O)Cc2noc(C)c2C#N)C1 413899739 KBDNKAVODJWSHG-LLVKDONJSA-N 320.349 -0.040 30 20 DBED C=CCOC[C@@H](NC(=O)[C@H]1CCCN(C(N)=O)C1)C(=O)OC 435140898 WNZUZKMXUIFWQQ-WDEREUQCSA-N 313.354 -0.363 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@@H](OC)C(=O)OC 490533372 DQTIYNADLJSPHA-VHSXEESVSA-N 307.372 -0.510 30 20 DBED C=CCn1nnnc1SCC(=O)N1CCCC[C@@H]1C(N)=O 505842830 QXDOTNUVDWJKFR-SECBINFHSA-N 310.383 -0.182 30 20 DBED CCO[C@@H]1COC[C@H]1NC(=O)C(=O)Nc1cccc(C#N)n1 567832311 ADYXCJDOHKIJRK-GHMZBOCLSA-N 304.306 -0.188 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@@H](C)CCC(=O)O 582185035 VILQDKGINOMVQW-JTQLQIEISA-N 307.372 -0.064 30 20 DBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H](C#N)CO 597741386 NYDFOBUYAKOSJB-GXSJLCMTSA-N 322.346 -0.774 30 20 DBED CC[C@@H](NC(C)=O)C(=O)N(CCC#N)CCN1CCOCC1 601024337 WZJOXODBDJBRQB-CQSZACIVSA-N 310.398 -0.024 30 20 DBED CCN(CCC#N)C(=O)Cn1cc(CN2CCC[C@H]2CO)nn1 603207753 CJMALHSZMBQJHF-AWEZNQCLSA-N 320.397 -0.003 30 20 DBED C=C[C@@](C)(O)C(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 612116768 VLXCEZFHWOBHNR-CYBMUJFWSA-N 302.396 -0.004 30 20 DBED CCN(C(=O)CN1CC[C@](F)(C#N)C1)[C@@H]1CCS(=O)(=O)C1 615646084 PVECFWFCGJPSOG-YPMHNXCESA-N 317.386 -0.040 30 20 DBED COc1ccc(C=NN2CC(=O)NC2=O)cc1-c1nn[nH]n1 737082802 ZMVSQUXQFHGAQO-UHFFFAOYSA-N 301.266 -0.239 30 20 DBED COC(=O)CN(CC(=O)O)CC(=O)NC1(C#N)CCCCC1 737614923 HOXNNFDTLXMKPO-UHFFFAOYSA-N 311.338 -0.111 30 20 DBED C#CCOCCNC(=O)N1CCCC[C@@H]1CNS(C)(=O)=O 753376717 GVIRAHDOZXTAEM-GFCCVEGCSA-N 317.411 -0.251 30 20 DBED Cn1c(C=NN[C@@H]2CCCOC2)nc2c1c(O)nc(=O)n2C 780260909 PNAIEBQPKMNIEH-MRVPVSSYSA-N 306.326 -0.525 30 20 DBED C=CCS(=O)(=O)CCNC(=O)CCC(=O)N1CCOCC1 783618078 LCZJMSUMNVICFC-UHFFFAOYSA-N 318.395 -0.658 30 20 DBED C#CCC[C@H](O)CNC(=O)CSCC(=O)N1CCOCC1 799078884 HAJJMFMBUSLPLT-LBPRGKRZSA-N 314.407 -0.531 30 20 DBED C#C[C@H](C)NC(=O)N(CC)CC(=O)N[C@H]1CCS(=O)(=O)C1 812902002 CRZRTIAJXWMTJW-QWRGUYRKSA-N 315.395 -0.657 30 20 DBED CNS(=O)(=O)[C@@H]1CCN(C(=O)[C@@](C)(C#N)CC(=O)O)C1 820641701 XXRXWKDJVHADDJ-LDYMZIIASA-N 303.340 -0.859 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CC[C@@H](OC)C2)CC1 825968630 XBJVVIRLSJVFST-UONOGXRCSA-N 307.394 -0.305 30 20 DBED CCOC(=O)C1=C(CN(CC#N)CCOC)NC(=O)N[C@@H]1C 839087260 GSUUSCSGLLVSGY-SNVBAGLBSA-N 310.354 -0.023 30 20 DBED CS(=O)(=O)N1CCCC[C@H]1C(=O)N[C@@H]1CCCN(O)C1=O 848137205 APONWUSHNLHKAM-ZJUUUORDSA-N 319.383 -0.703 30 20 DBED CCOC(=O)NC1CCC(=NNC(=S)NCC(N)=O)CC1 853305986 OGCHMUOHZXNHID-UHFFFAOYSA-N 315.399 -0.020 30 20 DBED N#CCCNC(=O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 854026099 ZWSLFQIXGPHASO-UHFFFAOYSA-N 312.355 -0.661 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCN(C(=O)c3ncc[nH]3)C2)nn1 937969024 AVIXPIZTNIXNQW-JTQLQIEISA-N 315.337 -0.168 30 20 DBED CN1C[C@H](C(=O)N[C@@H]2CCN(C(=O)C#CC3CC3)C2)CCC1=O 940977912 QMAWVGPYUCBKKA-ZIAGYGMSSA-N 317.389 -0.015 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2nnc(O)nc2O)[C@H](C)C1 942306359 XGRHGKRJHAKVFS-ZJUUUORDSA-N 305.338 -0.254 30 20 DBED Cn1cnc(C(=O)NC[C@H]2CN(C(=O)C#CC3CC3)CCO2)c1 944547297 QVRSVSQQJSBYOS-ZDUSSCGKSA-N 316.361 -0.209 30 20 DBED C[C@@]1(C(=O)N2CCC3(CC2)CN(CC#N)CCO3)CCC(=O)N1 949458769 UCIAMRKUYMXHNU-HNNXBMFYSA-N 320.393 -0.128 30 20 DBED C=C(C)CCN1CCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)CC1 951177895 ZVQSRBQFEHCZRZ-UHFFFAOYSA-N 322.365 -0.483 30 20 DBED C=C(C)C(C)(C)C(=O)N1CC(N(C)C(=O)Cn2ncnn2)C1 954349460 JWIFPOIRWPPPBW-UHFFFAOYSA-N 306.370 -0.055 30 20 DBED COCC(=O)N1CCN([C@@H]2CCN(C(=O)[C@H](C)C#N)C2)CC1 956575854 MQJKOCRRSLCGBA-CHWSQXEVSA-N 308.382 -0.462 30 20 DBED COc1ccnc(OC)c1C(=O)NC[C@H]1CN(CC#N)C[C@@H]1O 958249099 RQQYBQSDODDANF-QWRGUYRKSA-N 320.349 -0.355 30 20 DBED C=CCN1C[C@H](O)[C@H](CNC(=O)c2ccnc3c2nnn3C)C1 958351358 ZNHXKLJBTYNKHP-PWSUYJOCSA-N 316.365 -0.428 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](CNC(=O)c2cc(C(N)=O)co2)C1 958389368 FETOTUFRFIJSBM-NEPJUHHUSA-N 307.350 -0.023 30 20 DBED COc1ccnc(O)c1C(=O)NC[C@@H]1CN(CC#N)C[C@H]1O 958593904 CUXFOAASVJLPEV-NXEZZACHSA-N 306.322 -0.658 30 20 DBED CN(C)C(=O)CN1C[C@@H]2C(NC(=O)c3c[nH]c(C#N)c3)[C@H]2C1 958619051 ZJAZMIQUZFTDRA-RYUDHWBXSA-N 301.350 -0.365 30 20 DBED C#CCN1C[C@H](CNC(=O)c2cccnc2N(C)C)[C@@H](O)C1 958676247 DJURPMRVQXRNDB-JSGCOSHPSA-N 302.378 -0.197 30 20 DBED C=C(C)CN1C[C@H](CNC(=O)c2cc(C(N)=O)ccn2)[C@@H](O)C1 958768960 CXQBAJTXJZGLKT-JSGCOSHPSA-N 318.377 -0.221 30 20 DBED C#CCN1C[C@H]2[C@H](NC(=O)c3coc(S(N)(=O)=O)c3)[C@H]2C1 960623355 PDQPLOAPMUQRCJ-IAZYJMLFSA-N 309.347 -0.780 30 20 DBED C#Cc1cncc(C(=O)N[C@H]2[C@@H]3CN(Cc4nnn(C)n4)C[C@@H]32)c1 961709240 AUWSKTDGDSCKSV-NHAGDIPZSA-N 323.360 -0.553 30 20 DBED N#CCN1CCC[C@@H]1[C@H]1CCCN(C(=O)Cn2cnnn2)C1 963264609 OUQIASWKPARILN-QWHCGFSZSA-N 303.370 -0.100 30 20 DBED C=CCn1cc(C(=O)NC2CC3(CC(NCC(N)=O)C3)C2)nn1 965380317 HBQNTWZOLUWEGM-UHFFFAOYSA-N 318.381 -0.420 30 20 DBED C[C@H](C#N)C(=O)N1CCOC2(CN(C(=O)c3cnn[nH]3)C2)C1 965476884 JCWZMPACMWPSCK-SECBINFHSA-N 304.310 -0.982 30 20 DBED CN(C(=O)C(N)=O)[C@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)CC1 967655859 WZEOQRXPZUFTAW-LBPRGKRZSA-N 317.349 -0.175 30 20 DBED CCCc1n[nH]cc1C(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1O 968679828 SNEWOKBCSQSVKM-BIMULSAOSA-N 319.365 -0.177 30 20 DBED C#CCN(C)[C@H]1CCN(C(=O)[C@@H]2CCc3nnc(O)n3C2)C1 971819009 UKJAGRNJKULILB-NEPJUHHUSA-N 303.366 -0.288 30 20 DBED C#CCCN1CCCN(C(=O)CN2CCC(=O)NC2=O)CC1 989422177 IPNXNWAWONBECI-UHFFFAOYSA-N 306.366 -0.514 30 20 DBED O=C(N[C@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1O)c1cnon1 991701079 IXVMOIOUSVBBJE-JQWIXIFHSA-N 304.306 -0.825 30 20 DBED C#CCN1CCC[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)[C@H]1C 993916174 KPYBKJIBOBMXBX-YPMHNXCESA-N 318.377 -0.700 30 20 DBED CC(=O)N1CCO[C@@H](C(=O)N2C[C@@H](NCC#N)C(C)(C)C2)C1 996573620 KSMXTKLQFALGOX-CHWSQXEVSA-N 308.382 -0.416 30 20 DBED C#CCN[C@H]1CN(C(=O)c2cn(C)c(=O)nc2O)CC1(C)C 996606974 QJIFWFWEEQOCLQ-NSHDSACASA-N 304.350 -0.441 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)Cc2ccccc2C(N)=O)C1 997344729 HOAANZVXNZTSQZ-JTQLQIEISA-N 314.345 -0.185 30 20 DBED CCCN1C[C@@H](C(=O)NCC2CN(C(=O)[C@H](C)C#N)C2)CC1=O 1001927043 GLAMCGLIEBYSLK-YPMHNXCESA-N 320.393 -0.021 30 20 DBED C[C@H]1CCN(C(=O)CC(N)=O)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 1004720821 ALLZDHAIAHLSIB-JOYOIKCWSA-N 317.349 -0.271 30 20 DBED C[C@H](NC(=O)[C@@H]1CCC(=O)NC1)C1CN(C(=O)C#CC2CC2)C1 1006375300 NWTVANAYEWIWBC-WCQYABFASA-N 317.389 -0.111 30 20 DBED CC(=O)N1CC[C@@H](C(=O)N2CCN(C(=O)[C@H](C)C#N)CC2)C1 1011986680 XPHMHHAKOQEQGY-DGCLKSJQSA-N 306.366 -0.315 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2C[C@H](C)N(C(=O)C(N)=O)C2)cn1 1013967650 SBDDPXUKCVGKSI-JOYOIKCWSA-N 300.318 -0.733 30 20 DBED N#CCN[C@H]1CCN(C(=O)COc2ccc(C(N)=O)cc2)C1 1019791901 PYPLSUUFIMAOSP-LBPRGKRZSA-N 302.334 -0.122 30 20 DBED O=C1NCC[C@@H]1C(=O)N1C[C@@H]2CCN(C(=O)C#CC3CC3)[C@@H]2C1 1021586188 NVEDONOOVIGLSZ-MELADBBJSA-N 315.373 -0.405 30 20 DBED Cn1nnnc1CN[C@H]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 1021941316 MJSJOMAUDZMWHP-AOOOYVTPSA-N 300.326 -0.540 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCNC(=O)C2)C1 1023387817 YUMCOHCJORFVRR-IJLUTSLNSA-N 323.393 -0.587 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC(=O)N2)C1 1024196840 JQVFYIZNGGNAGP-IJLUTSLNSA-N 323.393 -0.445 30 20 DBED N#Cc1cc(C(=O)N2C[C@H]3[C@@H](NCC(N)=O)CC[C@H]3C2)c[nH]1 1026244520 POFRMXNJJSZWQG-BIMULSAOSA-N 301.350 -0.188 30 20 DBED Cn1cnc(C(=O)N2C[C@@H]3[C@@H](CC[C@H]3NCC#N)C2)cc1=O 1026287251 QMKDKJTUQSFWJR-QJPTWQEYSA-N 301.350 -0.256 30 20 DBED Cc1nc2n(n1)C[C@H](C(=O)NC[C@@H]1CN(CC#N)CCO1)CC2 1035453971 HCZAFGWYPXZSJB-CHWSQXEVSA-N 318.381 -0.511 30 20 DBED Cc1nc2ccnn2cc1C(=O)NC[C@@H]1CN(CC#N)CCO1 1035565632 MHJMPEIVFLNHOQ-GFCCVEGCSA-N 314.349 -0.008 30 20 DBED C=C(Br)CN1CC[C@@H]1CNC(=O)[C@H]1CNC(=O)N1 1038649576 ICHYKYFWHMXJPK-RKDXNWHRSA-N 317.187 -0.233 30 20 DBED N#CCNC1C[C@@H]2CCC[C@H](C1)N2C(=O)CN1CCOCC1=O 1039288593 AOFNFSHTKHNJQP-AGUYFDCRSA-N 320.393 -0.130 30 20 DBED C#CCOCCC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H](F)CC)C1 1039721923 PTINVXGJWFTWIZ-WFASDCNBSA-N 314.357 -0.146 30 20 DBED C=CCCCC(=O)NC[C@@]1(O)CCN(C(=O)CC(=O)NC)C1 1040729598 RCPISLKHHVSMNN-HNNXBMFYSA-N 311.382 -0.442 30 20 DBED CCn1nncc1C(=O)N1CC[C@@](O)(CNC(=O)[C@H](C)C#N)C1 1040759659 CGQCUOXSQZAQRR-QMTHXVAHSA-N 320.353 -0.849 30 20 DBED Cc1ccn(CC(=O)N2CC[C@](O)(CNC(=O)[C@H](C)C#N)C2)n1 1040766928 UHVUCJNQSWOFNC-ABAIWWIYSA-N 319.365 -0.569 30 20 DBED Cc1ocnc1C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1O 1040928240 JFWDXPYEGOXDFP-NXEZZACHSA-N 314.305 -0.376 30 20 DBED N#Cc1cccnc1N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCOC2)C1 1040938059 CBUWXKVBUHSJJY-JHJVBQTASA-N 302.334 -0.345 30 20 DBED C=CCCn1cc(C(=O)N2CC(O)(CNC(=O)C3CC3)C2)nn1 1041099921 TZICNOMRMCNKGJ-UHFFFAOYSA-N 319.365 -0.433 30 20 DBED Cn1cncc1C(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1O 1041228417 TVRIITUIMHVBOH-ZYHUDNBSSA-N 313.321 -0.939 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)Cc3cnc[nH]3)C2)nc1 1041369790 OOZXQYOVDVPGOP-CHWSQXEVSA-N 312.333 -0.415 30 20 DBED Cc1cc(C(=O)NCC2(O)CN(C(=O)[C@H](C)C#N)C2)cnn1 1042779270 UYPVZILHGYGKHK-SECBINFHSA-N 303.322 -0.752 30 20 DBED O=C(C#CC1CC1)NCC1(O)CN(C(=O)Cc2cncs2)C1 1042962950 BYHXOAWTALHCEF-UHFFFAOYSA-N 319.386 -0.212 30 20 DBED C=CCCn1cc(C(=O)NCC2(O)CN(C(=O)CCC)C2)nn1 1043228797 UHPMLMMORKHIEX-UHFFFAOYSA-N 321.381 -0.043 30 20 DBED N#Cc1nccc(N2C[C@H](O)[C@H](NC(=O)[C@@H]3CCCO3)C2)n1 1043844525 FWLFJDRJFYVUCJ-VWYCJHECSA-N 303.322 -0.807 30 20 DBED C=CCN[C@@H]1CCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)[C@@H](C)C1 1044762783 IBAZKUGORDSLPM-WDEREUQCSA-N 322.365 -0.438 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)[C@@]2(C)CCOC2)C1 1045302157 GLKFAWLBQJESFA-DOMZBBRYSA-N 324.377 -0.859 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)[C@H]2CCN(C)[C@@H](C)C2)C1 1045565464 XVLDSSHVSVGBCO-AVGNSLFASA-N 322.409 -0.434 30 20 DBED C#CCN1CCC2(CC1)CO[C@@H](CNC(=O)[C@H]1CNC(=O)N1)C2 1045677878 CXVRAQUGTLMEGP-CHWSQXEVSA-N 320.393 -0.712 30 20 DBED C=CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3nnnn3c2)C1 1047457538 BGCRCBYUOQFJDZ-STQMWFEESA-N 316.365 -0.183 30 20 DBED CCCN1C[C@@H](C(=O)N(C)[C@H]2CN(CC#N)C[C@@H]2O)CC1=O 1047548002 LRALWWFTGJOAIX-AVGNSLFASA-N 308.382 -0.728 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2nccnc2N)C1 1048580443 LGKSZCLBMWXTEQ-QWRGUYRKSA-N 319.365 -0.331 30 20 DBED CC#CCN1CCC2(CC1)CN(C(=O)Cn1ncn(C)c1=O)C2 1050570679 GIRVJCZDZPLUII-UHFFFAOYSA-N 317.393 -0.471 30 20 DBED CC(=O)N1CCO[C@@H](C(=O)N2CC3(CCN(CC#N)CC3)C2)C1 1050745832 NCAMGRRENXWQGH-CQSZACIVSA-N 320.393 -0.318 30 20 DBED CC#CCN1CCOC[C@H]1CNC(=O)[C@H]1C[C@@H](C)CC(=O)N1 1050922754 YMDKNDQTLSKQTH-MGPQQGTHSA-N 307.394 -0.259 30 20 DBED C[C@@H]1[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)CCN1c1ccnc(C#N)n1 1051011359 KDFBHZULMILORB-ZNSHCXBVSA-N 314.349 -0.447 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H](CNC(=O)C(F)F)[C@@H](C)C1 1052396584 HAKDPAMPQNOTAI-UWVGGRQHSA-N 315.320 -0.398 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCCN(CC(N)=O)CC2)nn1 1052775264 RXPWEZNCJBYAOH-LLVKDONJSA-N 306.370 -0.466 30 20 DBED C#CCN1CC2(CC[C@@H](CNC(=O)C3CC(=O)NC(=O)C3)O2)C1 1053677845 BWYLNRJMJCWHHR-LBPRGKRZSA-N 319.361 -0.978 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)C[C@@H]3CCCCC(=O)N3)CO2)C1 1053993024 FNQFFBGGBAWXEC-STQMWFEESA-N 320.393 -0.082 30 20 DBED C=CCN1CC2(C[C@@H](NC(=O)[C@H]3CN(C(C)=O)CCO3)CO2)C1 1053997658 SXISKQCXYGFFJX-ZIAGYGMSSA-N 323.393 -0.621 30 20 DBED CC(=O)N1CCN(c2nccnc2C#N)[C@H]2CS(=O)(=O)C[C@H]21 1054771151 YYLQKFLUBAEMPA-NEPJUHHUSA-N 321.362 -0.818 30 20 DBED C[C@H]1CN(C(=O)Cn2nc3ccccn3c2=O)C[C@H]1NCC#N 1054952291 RUOGAFYLKDJINS-NWDGAFQWSA-N 314.349 -0.544 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@](CO)(NC(=O)c2ccncn2)C1 1056069748 DBKBNMQORXIYPF-XHDPSFHLSA-N 317.349 -0.280 30 20 DBED C[C@@]1(C(=O)N2CC[C@@H](N=c3cc[nH]c(C#N)n3)C2)CCC(=O)N1 1056767029 UZZKKXMVAZJLPM-BMIGLBTASA-N 314.349 -0.548 30 20 DBED C#CCO[C@H](C)C(=O)NCCN(CCO)C(=O)[C@H](C)SC 1057056045 NVHWBSUAWHORNX-NEPJUHHUSA-N 316.423 -0.287 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)C[C@H]1CCCO1 1057193489 HSVCSAMRPNWUQP-CYBMUJFWSA-N 314.382 -0.305 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)c1nccnc1N 1057235526 SVIYARATWVMDTL-UHFFFAOYSA-N 319.365 -0.587 30 20 DBED C#CCNC(=O)CC(=O)NCCN(CCO)C(=O)C=C1CCC1 1057324496 WJQFGCOTWRIZNN-UHFFFAOYSA-N 321.377 -0.827 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)C[C@@H]1COC(=O)C1 1057346381 AEQYLUNSNSIZGQ-MNOVXSKESA-N 311.338 -0.964 30 20 DBED N#Cc1nccnc1N1CC[C@@H](NC(=O)c2cc[n+]([O-])cc2)C1 1058276666 NIBZAPJSYICCOK-GFCCVEGCSA-N 310.317 -0.010 30 20 DBED C=CC(C)(C)C(=O)N(CCO)CCNC(=O)c1c[nH]c(=O)cn1 1058302479 UQQXDPSZEQVSFH-UHFFFAOYSA-N 322.365 -0.467 30 20 DBED C[C@]1(C(=O)N[C@H]2CCN(c3cncc(C#N)n3)C2)CCNC1=O 1058541870 VSDBVFJXIRIIKG-BONVTDFDSA-N 314.349 -0.431 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1CCN(C(=O)[C@H]2CCCNC2=O)C1 1058985349 LTSJJZBILWSURR-STQMWFEESA-N 313.361 -0.086 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1C[C@H](NC(=O)[C@H]2CCCNC2=O)C1 1059325635 RQRGEKYOCWVMBM-AVGNSLFASA-N 313.361 -0.040 30 20 DBED C=CCOCC(=O)N1CCOC[C@@H]1CNC(=O)c1ccon1 1061349391 CUNSWEVNOQGHHN-NSHDSACASA-N 309.322 -0.166 30 20 DBED C#CCCCC(=O)NC[C@H]1COCCN1C(=O)CCCC(N)=O 1061534218 KHPSODAKWBKSHC-ZDUSSCGKSA-N 323.393 -0.211 30 20 DBED O=C(C#CC1CC1)NC[C@H]1COCCN1C(=O)[C@@H]1CCC(=O)N1 1061571682 FMABZVYSZIQHFA-STQMWFEESA-N 319.361 -0.978 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCOC[C@H]1CNC(=O)c1cnon1 1061805877 BYTXODVMQUADIF-WDEREUQCSA-N 324.337 -0.382 30 20 DBED N#Cc1cnccc1N1CCO[C@H](CNC(=O)c2cnn[nH]2)C1 1063673925 ZNAAIGUVZCICHO-LLVKDONJSA-N 313.321 -0.293 30 20 DBED C=CCOCC(=O)NC1(CNC(=O)[C@]2(C)CNC(=O)C2)CCC1 1063678933 AJYWFOTWHAQJEZ-HNNXBMFYSA-N 323.393 -0.130 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)CC(=O)NCC)CCO1 1065066995 HMVJHLQRXLLIGN-ZDUSSCGKSA-N 323.393 -0.340 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H]1C[C@H](NC(=O)Cn2ncnn2)C1 1068531001 LFADZWFBPGHWER-UMSPYCQHSA-N 312.337 -0.631 30 20 DBED C[C@@]1(C(=O)N2C[C@H](n3ccnn3)[C@H](NCC#N)C2)CCCOC1 1070304163 NPLYTDWBWSCPSQ-VNHYZAJKSA-N 318.381 -0.040 30 20 DBED C#CCN1CCOC[C@@H]1c1n[nH]c(CNC(=O)c2cn[nH]c2)n1 1070579933 CYORHPDHNBWCIK-LLVKDONJSA-N 315.337 -0.536 30 20 DBED CNC(=O)NCC(=O)N[C@@H]1CCCN(C(=O)C#CC2CC2)C1 1070709027 OPXHMJFQJYXVBC-GFCCVEGCSA-N 306.366 -0.564 30 20 DBED C=CCCN1C[C@H]2C[C@H]3CN(C(=O)[C@H]4COC(=O)N4)C[C@@]3(C1)O2 1070793264 DCDYNPLVQUQDPK-VPWBDBDCSA-N 321.377 -0.027 30 20 DBED N#CCN1CCNC(=O)CCN(C(=O)[C@H]2C[C@H]3CC[C@H]2O3)CC1 1070948345 HVMFOVCBOYUURG-HZSPNIEDSA-N 320.393 -0.272 30 20 DBED CO[C@@H]1CC[C@@H](C(=O)N2CCC(=O)NCCN(CC#N)CC2)C1 1070975298 JWUHHGWCJCDDEJ-ZIAGYGMSSA-N 322.409 -0.024 30 20 DBED CO[C@@H]1CCC[C@H]1C(=O)N1CCC(=O)NCCN(CC#N)CC1 1070976955 WYWNOUSSMCTDFA-ZIAGYGMSSA-N 322.409 -0.024 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](NC(=O)C2(CF)CC2)[C@H](C)C1 1071942511 HZPAZAKKINMAHP-VXGBXAGGSA-N 323.368 -0.161 30 20 DBED N#CCN1CCCO[C@H](CNC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 1073772755 XIABAXLJBKPNJY-FRRDWIJNSA-N 308.382 -0.381 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(O)(CNC(=O)[C@@H]2CCCO2)CC1 1074703750 QMZUNXSDHXELGM-RYUDHWBXSA-N 309.366 -0.205 30 20 DBED C#CCOCCC(=O)NCC[C@H](C)NC(=O)[C@@H]1CN(C)C(=O)N1 1076507626 ONVVZVMNBXFVDU-RYUDHWBXSA-N 324.381 -0.939 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)c2cc(C(N)=O)cn2C)C1 1077314969 DUXWJVBHUNTOPI-TZMCWYRMSA-N 320.393 -0.135 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)CN2C(=O)CN(C)C2=O)C1 1078144327 KBINDPLNDUDEAB-VXGBXAGGSA-N 324.381 -0.992 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)[C@H](C2CC2)N2CCOCC2)C1 1078213790 CUTLCLMONRFWTN-KFWWJZLASA-N 309.410 -0.556 30 20 DBED CC(C)C#CC(=O)N1C[C@H](CNC(=O)Cn2ccnc2)[C@@H](O)C1 1081580041 JBSFEXGKBYYZTL-KBPBESRZSA-N 318.377 -0.522 30 20 DBED C#CCCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)Cc2ncc[nH]2)C1 1081693114 OGWXQTNGDAOMDA-CHWSQXEVSA-N 318.377 -0.309 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@@]1(C)CCN(C(C)=O)C1 1082311312 GBFVPRDCSVKMAR-NFAWXSAZSA-N 308.382 -0.416 30 20 DBED CCn1ncc(CN2C[C@H]3[C@@H](C2)OCCN3C(=O)[C@H](C)C#N)n1 1083026021 LDVYZOCNHMIACL-KWCYVHTRSA-N 318.381 -0.131 30 20 DBED C=C(C)CN1CC[C@@H]2CN(C(=O)CN3CCNC(=O)C3)C[C@@H]2C1 1088065171 KTHMMYXDXCDVOR-CABCVRRESA-N 320.437 -0.225 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)CN3C(=O)CCC3=O)C[C@@H]2C1 1088195015 JQTOLBRUUIZKND-OLZOCXBDSA-N 303.362 -0.451 30 20 DBED C#CCCN1CC[C@H](NC(=O)Cn2cccc(C)c2=O)[C@@H](O)C1 1090262938 APXKNFUDVCBPHR-GJZGRUSLSA-N 317.389 -0.269 30 20 DBED Cc1nn2cccnc2c1C(=O)N[C@H]1CCN(CC#N)C[C@@H]1O 1090819454 BGEYVSFWZQJVJA-RYUDHWBXSA-N 314.349 -0.274 30 20 DBED N#CCNC1CC(CNC(=O)c2cn(C[C@@H]3CCOC3)nn2)C1 1091303256 ZVEWFGRNNNYJPK-HIFPTAJRSA-N 318.381 -0.064 30 20 DBED CC(=O)NCC[C@@H]1CN(c2cncc(C#N)n2)CCS1(=O)=O 1091303499 LAHZWCISLLFFFK-GFCCVEGCSA-N 323.378 -0.522 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)Cn3cccn3)c3nccn32)C1 1092351021 YOMSFGRTNCYJCQ-ZDUSSCGKSA-N 310.361 -0.015 30 20 DBED CC#CCN1C[C@@H](C)[C@H](CNC(=O)[C@H]2CN(C(C)=O)CCO2)C1 1093169263 BKWYBHIWQWCEST-FVQBIDKESA-N 321.421 -0.059 30 20 DBED Cc1cc(C#N)nc(NCCNC(=O)[C@@H]2CCCS2(=O)=O)n1 1093669920 KCPLBQLJUVLRIH-NSHDSACASA-N 323.378 -0.238 30 20 DBED Cn1ncnc1COCC(=O)NCCNc1ccc(C#N)cn1 1093829099 WTBMSMMLJQPRRP-UHFFFAOYSA-N 315.337 -0.173 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)C[C@@H]3COC(=O)C3)CC2=O)C1 1094721588 GKYYGCTUKHVFHF-RYUDHWBXSA-N 321.377 -0.473 30 20 DBED CC#CCN1CC(N2C[C@@H](NC(=O)c3ncccn3)CC2=O)C1 1094804110 SFQWLTARDXCFQY-LBPRGKRZSA-N 313.361 -0.485 30 20 DBED C=CCN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1ncn(C)c1=O)C2 1094950776 QEYROQKEUREYSX-XQQFMLRXSA-N 305.382 -0.263 30 20 DBED CCN(CCCNC(=O)CC(=O)NC)c1ccnc(C#N)n1 1095863704 BDDMUWUGURCOAP-UHFFFAOYSA-N 304.354 -0.183 30 20 DBED CC(=O)N[C@@H](C)C(=O)N[C@H]1C[C@@H](Nc2nccnc2C#N)C1 1097145113 VTBNTKMMOQQRFP-INTQDDNPSA-N 302.338 -0.068 30 20 DBED C[C@H](CNC(=O)CC1CS(=O)(=O)C1)Nc1ccc(C#N)nn1 1098123842 LDWAPXIBFJGGQU-SECBINFHSA-N 323.378 -0.300 30 20 DBED COC(=O)NCC(=O)N1CC[C@@H](CN=c2cc[nH]cc2C#N)C1 1098502742 HQHLDGNJXBSRLY-NSHDSACASA-N 317.349 -0.008 30 20 DBED C[C@H](CCNC(=O)[C@@H]1COC(=O)N1)N=c1cc[nH]cc1C#N 1099076930 ICZONSRIBXIVMU-SKDRFNHKSA-N 303.322 -0.210 30 20 DBED C[C@H](CCNC(=O)c1cncnc1O)N=c1cc[nH]c(C#N)n1 1099572372 LQVKTVQVPSMRIS-SECBINFHSA-N 313.321 -0.114 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(CC(=O)NCCC)C[C@H]1O 1099737772 DLIPTAXHXMPWKQ-QWHCGFSZSA-N 313.398 -0.733 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)C2CC=CC2)[C@@H](O)C1 1099743350 IDEZMVPOJBXUIQ-KBPBESRZSA-N 305.378 -0.747 30 20 DBED C=CCCOCC(=O)N[C@@H]1CCN(Cc2cnn(C)n2)C[C@H]1O 1100139308 OXHCITXYDYKZBI-ZIAGYGMSSA-N 323.397 -0.541 30 20 DBED CN(CCNC(=O)C[C@@H]1CCNC1=O)c1cnc(C#N)cn1 1100193818 UPBPXDBLHMMDRP-JTQLQIEISA-N 302.338 -0.573 30 20 DBED C#CCNC(=O)CC(=O)NCC1CC(NCc2ccn(C)n2)C1 1100261849 SQBBIICYAPOXQP-UHFFFAOYSA-N 317.393 -0.456 30 20 DBED C#CCO[C@H](C)C(=O)NCC1CC(NCc2nncn2C)C1 1100322386 HWDHZHBEFMAEIW-PNESKVBLSA-N 305.382 -0.162 30 20 DBED COCC#CCNC1CC(CNC(=O)c2nnc(O)nc2O)C1 1100480477 UZDKLGGIQKGONG-UHFFFAOYSA-N 321.337 -0.969 30 20 DBED C=CCOCC(=O)NC[C@@H]1CCCN1c1nccn2nnnc12 1100807666 IHWYGJUTWBRJAN-NSHDSACASA-N 317.353 -0.193 30 20 DBED C[C@H](NC(N)=O)C(=O)NC[C@H]1CCCN1c1cnc(C#N)cn1 1100824711 AMASWNQCKPDJIE-GXSJLCMTSA-N 317.353 -0.510 30 20 DBED CC(C)(C(N)=O)C(=O)NCCN(c1cnc(C#N)cn1)C1CC1 1101399546 GFGCGALAPWQHFC-UHFFFAOYSA-N 316.365 -0.055 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)[C@H](C)CC(N)=O)c3nccn32)C1 1101635406 IMISLEMFXPLQQO-VXGBXAGGSA-N 315.377 -0.400 30 20 DBED COC[C@@H](OC)C(=O)N[C@H]1CC2(CN(CC#N)C2)n2ccnc21 1101641758 ZGQWQIWAFFBYIU-NWDGAFQWSA-N 319.365 -0.360 30 20 DBED CC#CCN1C[C@@H](C)[C@H](CCNC(=O)CS(=O)(=O)NC)C1 1103732486 CFUNNJJQDWGHHV-CHWSQXEVSA-N 315.439 -0.367 30 20 DBED C=CCCC(=O)N1CC(n2cc(CNCC(=O)N(C)C)nn2)C1 1105183185 FSOMTWZBNGFIIE-UHFFFAOYSA-N 320.397 -0.195 30 20 DBED C=CCCNCc1cn(C2CN(C(=O)CCCC(N)=O)C2)nn1 1105381062 MVUDAHAODBZLGG-UHFFFAOYSA-N 320.397 -0.017 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)c2ccc(O)nn2)nc1 1105734790 DPYORWNCKGLVIU-JTQLQIEISA-N 314.305 -0.348 30 20 DBED Cc1[nH]nc(C(=O)NC[C@@H](O)CNc2nccnc2C#N)c1C 1105761966 JIUSBSUPJDTPPZ-JTQLQIEISA-N 315.337 -0.109 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H](O)CNc1nc(C)ncc1C 1105793053 VZOXVXPRJGXLDC-LBPRGKRZSA-N 319.365 -0.878 30 20 DBED Cc1nc(CC(=O)NC[C@@H](O)CNc2ncccc2C#N)n[nH]1 1105826188 ABTUHSFXGUHZBK-LLVKDONJSA-N 315.337 -0.489 30 20 DBED CCCN(C)CCC(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1 1105917620 LMTPAKIFXXRJPV-GFCCVEGCSA-N 320.397 -0.609 30 20 DBED COCCC(C)(C)C(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1 1105947380 RSMGACXHHFFQJS-LLVKDONJSA-N 321.381 -0.278 30 20 DBED Cc1nonc1CC(=O)NC[C@H](O)CNc1ccc(C#N)nn1 1105948086 SIKBISXBZXTBRZ-SNVBAGLBSA-N 317.309 -0.829 30 20 DBED COCCCOCC(=O)NC[C@H](O)CNc1ccc(C#N)nn1 1105959540 OTZWGSCBXCCEJK-GFCCVEGCSA-N 323.353 -0.710 30 20 DBED N#Cc1cccnc1NC[C@H](O)CNC(=O)c1cnnc(O)c1 1105993379 KVIAZSIVYBLVEY-NSHDSACASA-N 314.305 -0.348 30 20 DBED COCC1(C(=O)NC[C@H](O)CNc2cncc(C#N)n2)CC1 1106023424 VVBYXRMNUVTQIB-LLVKDONJSA-N 305.338 -0.336 30 20 DBED CN(C)C(=O)CC(=O)NC[C@H](O)CNc1ccc(C#N)nc1 1106134213 RRSJLMMXKCITJX-GFCCVEGCSA-N 305.338 -0.679 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)Cn2ccc(O)nc2=O)C[C@H]1C 1106387100 YGLIXOPEHRQIGS-CHWSQXEVSA-N 318.377 -0.344 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)c2c[nH]nc2C)C[C@H]1C 1106502309 GCHHIDUTKWJPGE-DGCLKSJQSA-N 317.393 -0.235 30 20 DBED C[C@@H]1CN(C(=O)C2CC3(C2)NC(=O)NC3=O)C[C@H]1CNCC#N 1106752795 LWVFEBYAMBYQEX-GPZIFOQPSA-N 319.365 -0.818 30 20 DBED C[C@H](CN=c1cc[nH]cc1C#N)NC(=O)CNC(=O)C1CC1 1107657987 CDJQSWAHZFTTIP-SNVBAGLBSA-N 301.350 -0.182 30 20 DBED C[C@H](CNc1nccnc1C#N)NC(=O)c1cn(C)c(=O)n1C 1107798356 JNZLWMBVCRWJEC-SECBINFHSA-N 315.337 -0.384 30 20 DBED CNC(=O)CN1CCO[C@](C)(CNC(=O)c2cc(C#N)c[nH]2)C1 1107849030 UUKKYKZMIAUSFE-OAHLLOKOSA-N 319.365 -0.547 30 20 DBED C#CCCN1CCO[C@@](C)(CNC(=O)C(=O)NCC2CC2)C1 1108309262 QKJGBRMXSWYBQQ-INIZCTEOSA-N 307.394 -0.257 30 20 DBED CC(=O)N[C@@H](C(=O)NC[C@]1(C)CN(CC#N)CCO1)C(C)C 1108353029 AYBCCVKVWXRKGL-UKRRQHHQSA-N 310.398 -0.122 30 20 DBED CC#CCN1CC(N2C[C@@H](NC(=O)[C@H](CC)N(C)C)CC2=O)C1 1108578058 UVGHOGLZLCWQJU-ZFWWWQNUSA-N 320.437 -0.249 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)[C@H](C)CCOC)CC2=O)C1 1108591441 YERFRFRNFFZPJO-OLZOCXBDSA-N 307.394 -0.307 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@@H](C)OC 1110465425 CEEYHYIANHOPJN-SYQHCUMBSA-N 307.394 -0.118 30 20 DBED CC(=O)NCC(=O)N1C[C@@H](C)[C@@H](CNc2ccc(C#N)nn2)C1 1111232170 CILPURYRZHSHRN-PWSUYJOCSA-N 316.365 -0.009 30 20 DBED N#Cc1nc(=NCCN(CCO)C(=O)c2ccoc2)cc[nH]1 1111418230 DYPMIXSVOXDHGC-UHFFFAOYSA-N 301.306 -0.090 30 20 DBED CC(C)(C(N)=O)C(=O)N(CCO)CCNc1ccc(C#N)cn1 1111519659 YMDJHZCUGXKPIK-UHFFFAOYSA-N 319.365 -0.302 30 20 DBED CN(CCCN(C)c1cnc(C#N)cn1)C(=O)[C@H]1CCNC1=O 1112151549 NUURGUAMQDJHGT-LBPRGKRZSA-N 316.365 -0.231 30 20 DBED N#CCNC[C@]12CCC[C@H]1CN(C(=O)CN1C(=O)CCC1=O)C2 1112575493 MRWRCWOKBFATLX-LRDDRELGSA-N 318.377 -0.123 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)[C@@H]2CCCOC2)CC1 1112680997 GXOFZRHNNVGJGO-ZIAGYGMSSA-N 307.394 -0.305 30 20 DBED C[C@H](Nc1cnc(C#N)cn1)[C@@H](C)NC(=O)Cn1cnnn1 1112904633 AWKGZOYZVVHXBN-DTWKUNHWSA-N 301.314 -0.660 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)c2n[nH]cc2F)CC1 1113315257 XRLPCBBZVNGKLU-JTQLQIEISA-N 307.329 -0.556 30 20 DBED C[C@H](CNC(=O)CN1CCCC1=O)N(C)c1nccnc1C#N 1113489275 URPRPKZSWOUSSX-LLVKDONJSA-N 316.365 -0.088 30 20 DBED CCc1ncncc1C(=O)N1CCN(CC(=O)NCC#N)CC1 1113635518 DFOWXIATQIPBDE-UHFFFAOYSA-N 316.365 -0.563 30 20 DBED COCC#CCN1CCN(C(=O)CCc2cn(C)nn2)CC1 1113735023 DODCTUWIIHYODZ-UHFFFAOYSA-N 305.382 -0.458 30 20 DBED C[C@@H](CNC(=O)[C@]1(C)CCNC1=O)N(C)c1cncc(C#N)n1 1113872099 ICNDVIMHRBMSII-ZUZCIYMTSA-N 316.365 -0.185 30 20 DBED N#CCSCC(=O)NC1[C@H]2CN(Cc3nc(O)n[nH]3)C[C@H]12 1113897111 OIMAJFGWMPMCOV-YUMQZZPRSA-N 308.367 -0.687 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)CCOCC#C)[C@H]2C1 1114262848 KYNIJSQEVRFKPU-IHRRRGAJSA-N 317.389 -0.789 30 20 DBED C=C(Cl)CN1C[C@H]2C(NC(=O)[C@@H](C)NC(=O)COC)[C@@H]2C1 1114321459 NJOXYOGHWGQPNT-GMTAPVOTSA-N 315.801 -0.064 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)C[C@H]3CCNC3=O)[C@@H]2C1 1114396979 GKISUOTVUQCDGY-JHJVBQTASA-N 305.378 -0.791 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)c3cncn3C)[C@H]2C1 1114523510 CHMNAQMGTDXRET-QWRGUYRKSA-N 303.366 -0.618 30 20 DBED CCO[C@@H](CC)C(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1 1121166026 VSSBAFMPVZETLF-MNOVXSKESA-N 307.354 -0.526 30 20 DBED N#Cc1cnc(N[C@@H](CO)CNC(=O)[C@@H]2CCCOC2)cn1 1121197108 GGNYSXGYHMFODF-ZYHUDNBSSA-N 305.338 -0.336 30 20 DBED C#CCCCC(=O)NC[C@@H](CO)N=c1cc[nH]c(C(=O)OC)n1 1121371462 OKVVHODBDBJKAF-NSHDSACASA-N 320.349 -0.622 30 20 DBED N#Cc1c[nH]ccc1=N[C@H](CO)CNC(=O)CCc1ncc[nH]1 1121497662 QEHFIBBWDSGUDO-LBPRGKRZSA-N 314.349 -0.380 30 20 DBED C=CCn1c(CO)nnc1N1CCCN(S(C)(=O)=O)CC1 1121599225 OPMZUOQUBRNLOS-UHFFFAOYSA-N 315.399 -0.572 30 20 DBED C#CCOCCC(=O)NC[C@@H](CO)Nc1ncccc1C#N 1122029386 SVIZPROVKIMXON-ZDUSSCGKSA-N 302.334 -0.118 30 20 DBED C[C@@H]1CCCN1CC(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1 1122528898 WVGOKCOLSAVTQA-NEPJUHHUSA-N 318.381 -0.857 30 20 DBED C[C@@H]1[C@H](NC(=O)CNC(N)=O)CCCN1c1ccnc(C#N)n1 1123514388 QXYGYBMRRRESAW-NXEZZACHSA-N 317.353 -0.510 30 20 DBED COC(=O)NCC(=O)N(C)C[C@@H](O)CNc1ccc(C#N)cn1 1124092299 ZDLDTOVLQIDLRE-NSHDSACASA-N 321.337 -0.460 30 20 DBED C#CCNC(=O)CC(=O)N(C)C[C@@H](O)CNc1cccc(F)n1 1124314736 LALMNKRCZIFTPO-NSHDSACASA-N 322.340 -0.409 30 20 DBED COc1cnc(C(=O)NCCNCC(=O)NCC#N)c(F)c1 1128949585 JYZXVKJZSWIWOG-UHFFFAOYSA-N 309.301 -0.812 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)[C@]2(CC)CCNC2=O)C1=O 1129872406 XMACQOOYCAYAHU-MLGOLLRUSA-N 322.409 -0.605 30 20 DBED Cc1ccc2nc(C(=O)NCCNCC(=O)NCC#N)cn2c1 1130219355 IGFYDNHAZWRYQP-UHFFFAOYSA-N 314.349 -0.398 30 20 DBED C#CCNC[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CCOC)n2)O1 1130754609 JOUNOGKIYBWLFV-NWDGAFQWSA-N 321.381 -0.100 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)c2ccnc(OC)n2)C1=O 1131188094 KANPLKAFPBVUDG-LBPRGKRZSA-N 319.365 -0.409 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)CC(=O)NCC)C[C@@]3(C1)O2 1131220633 OGXDWRCHBYZZOZ-WOSRLPQWSA-N 305.378 -0.553 30 20 DBED C#CCNC(=O)CN1C[C@H](NC(=O)c2cc[nH]n2)CC[C@H]1C 1131813971 SLSWQZBNYWUAIT-VXGBXAGGSA-N 303.366 -0.258 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)C[C@@H](C)NCCOCCO 1134129987 ARXPALSFNFYIRB-OLZOCXBDSA-N 313.398 -0.992 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)c1ncccn1 1135610032 VWFWEGZUNYMKTE-SNVBAGLBSA-N 320.353 -0.804 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@H](C)Cc1cnn(C)c1 1136015010 RPIHFJYSKRZIIH-GFCCVEGCSA-N 307.398 -0.393 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)C(=O)N2CC[C@H](C)C2)C1=O 1147175056 IJUHKTPDTJJXHI-QWHCGFSZSA-N 322.409 -0.653 30 20 DBED C[C@@H]1C[C@@H](C(=O)N2CC3(CCN(CC(=O)NCC#N)C3)C2)CO1 1147812790 WUXMYZXYBVQWTL-CHWSQXEVSA-N 320.393 -0.415 30 20 DBED C#Cc1ccc(C(=O)NCCNCCCS(C)(=O)=O)cn1 1148389825 VYVKORCLURERAG-UHFFFAOYSA-N 309.391 -0.183 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CN(CC(=O)N2CCCC2)CCCO1 1149400680 XMDUTCZJXRJGDL-KGLIPLIRSA-N 322.409 -0.024 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CN(Cc2nnn(C)n2)CCCO1 1149409520 UWWOURPZRAQNIM-GHMZBOCLSA-N 307.358 -0.923 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(CCn2cncn2)CCCO1 1149701989 WZDJHJNGCSDEOX-OAHLLOKOSA-N 317.393 -0.101 30 20 DBED C#CCCN1CCCO[C@@H](CNC(=O)CCc2cnn(C)n2)C1 1150323459 AWDRZCSAXYAKOM-HNNXBMFYSA-N 319.409 -0.022 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1ccc2nn[nH]c2c1 1150703519 OSAPWHFBUVPERH-UHFFFAOYSA-N 300.322 -0.973 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@@H]1CCc2nnc(C)n2C1 1152091943 WNBSSBDETIZLBS-GFCCVEGCSA-N 320.397 -0.843 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)Cc2ccn(C)n2)C1=O 1157802308 YSSDCKGKAPDDJR-AWEZNQCLSA-N 319.409 -0.155 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@H]1CCCN1C(C)C 1157887417 VHAQWEUAGKQOQW-CQSZACIVSA-N 308.426 -0.296 30 20 DBED COCC#CCNCCCNC(=O)[C@H]1CN2CCC[C@@H]2CO1 1158487038 VISQRRUPBHHTPO-HUUCEWRRSA-N 309.410 -0.405 30 20 DBED CC(C)C#CC(=O)NCCC1=CCN(CC(=O)NC(N)=O)CC1 1160054966 OPPUXAJJZOGMKZ-UHFFFAOYSA-N 320.393 -0.021 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)c1ccn(C)c(=O)c1 1161179030 ABPVAFGGICWJPY-GFCCVEGCSA-N 318.377 -0.767 30 20 DBED C=CCC[C@H](C)NCCCNC(=O)CNS(=O)(=O)NC 1163284303 ZDUQPQNNALCXJP-NSHDSACASA-N 306.432 -0.509 30 20 DBED CCc1nc(C)c(C(=O)NCCCNCC(=O)NCC#N)o1 1170196720 OYTGJTPBRXQECH-UHFFFAOYSA-N 307.354 -0.105 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)c2ccn(C)n2)C1=O 1176080786 KYYIUNYOSYIHCA-CYBMUJFWSA-N 305.382 -0.084 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@@H](CC)N1CCCC1=O 1176478168 QDEACZITJDRNTI-CYBMUJFWSA-N 322.409 -0.767 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H]2CC[C@H]1[C@H](CNCCOC)C2 1177711754 SLDVCMARGKJVDX-KKUMJFAQSA-N 321.421 -0.011 30 20 DBED COCC#CCN[C@H]1CCN(C(=O)C[C@H]2CCNC2=O)[C@H]1C 1178870912 SYIJFIAUJGHMMS-MJBXVCDLSA-N 307.394 -0.259 30 20 DBED C#CCNC[C@]1(C)CN(C(=O)Cn2nc(C)n(C)c2=O)C[C@H]1C 1183304466 PKMDZNSNVLPIIT-MLGOLLRUSA-N 319.409 -0.402 30 20 DBED C#CCNC[C@H]1CCN(C(=O)c2cn(C)c(=O)nc2O)C[C@@H]1C 1185682598 RMHRXYAAZPOTPC-NWDGAFQWSA-N 318.377 -0.193 30 20 DBED C#CCCCC(=O)N1CC[C@H]2CN([C@@H](C)C(=O)NC(N)=O)C[C@H]21 1187714569 TYPCRYQYXDAUCU-RWMBFGLXSA-N 320.393 -0.094 30 20 DBED COCC#CCN1C[C@@H]2CCN(C(=O)[C@@H]3COC(=O)N3)[C@@H]2C1 1187743031 KFIVUJLBPJNCDV-RWMBFGLXSA-N 307.350 -0.723 30 20 DBED Cc1ncncc1C(=O)N1CC[C@@H](N(C)CC(=O)NCC#N)C1 1189022761 NZWSUWWDWKLZDA-GFCCVEGCSA-N 316.365 -0.429 30 20 DBED CCOCCCC(=O)N1CC[C@@H](N(C)CC(=O)NCC#N)C1 1189031051 HGYAZJMXOWFHLA-CYBMUJFWSA-N 310.398 -0.024 30 20 DBED C=CCCC(=O)N[C@@H]1CN(C[C@@H](O)COCCOC)C[C@H]1O 1191724547 KSDRBNACGNUVJL-MGPQQGTHSA-N 316.398 -0.862 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)C=C2CCC2)C1 1192136545 KLNNNUJWXGPHQO-IACUBPJLSA-N 307.394 -0.051 30 20 DBED CC#CCN(C)[C@@H]1CCN(C(=O)[C@@H]2CCN(C)S2(=O)=O)C1 1192795427 YRZWEERBXUVNTB-OLZOCXBDSA-N 313.423 -0.424 30 20 DBED C=CCN1CC[C@H](N2C[C@@H](O)[C@H](NC(=O)C#CC3CC3)C2)C1=O 1192821726 OZVLRUAUKLCJDF-QLFBSQMISA-N 317.389 -0.652 30 20 DBED COCC#CCN1CCCN(C(=O)C[C@H]2CC(=O)NC2=O)CC1 1198423595 RIDYCKPOZSYFSL-CYBMUJFWSA-N 321.377 -0.777 30 20 DBED C#CCNC(=O)CC(=O)N1CCCO[C@H](CNCCC=C)C1 1200329170 GVDCTRLRELGGKH-CQSZACIVSA-N 307.394 -0.091 30 20 DBED C=CCNC[C@@H]1CN(C(=O)CN2CC(=O)N(C)C2=O)CCCO1 1201848518 OBSJXNBNRUCZPE-GFCCVEGCSA-N 324.381 -0.727 30 20 DBED COCC#CCNC1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 1202479610 MNQMNXSQTDVTAZ-UONOGXRCSA-N 323.393 -0.750 30 20 DBED N#CCNC(=O)CNCC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1205224459 UDNZWPSTXCOIMP-VXGBXAGGSA-N 323.353 -0.880 30 20 DBED CC#CCNCC1CCN(C(=O)CNC(=O)CNC(C)=O)CC1 1205542992 DSPREBPRYMOXRG-UHFFFAOYSA-N 322.409 -0.910 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)Cn2cccn2)C1 1207300043 YVKXYGXANYZXSY-ZIAGYGMSSA-N 317.393 -0.398 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)C[C@@](C)(O)C2CC2)C1 1207820040 OJNZGNVOGAYBJS-WMLDXEAASA-N 321.421 -0.133 30 20 DBED C=CCCN[C@@H]1CCCN(C(=O)CN2CCN(C)C(=O)C2)C1 1208453797 OLXVLRSCHCXPLV-CQSZACIVSA-N 308.426 -0.083 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)/C=C\C2CC2)[C@H](OC)C1 1212090429 TWFYELUPHPGWKN-OYYIVGKXSA-N 319.405 -0.094 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@@H](NCc2nc(=O)n(C)[nH]2)[C@H](C)C1 1214602302 OOGAMWKIQDOMPD-IJLUTSLNSA-N 321.381 -0.917 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NCC(=O)NC(N)=O)[C@H](C)C1 1215594694 ROFZXYMSAGFAOY-KKOKHZNYSA-N 324.381 -0.791 30 20 DBED C=CCC[C@@H](C)N1C[C@H]2[C@@H](C1)OCCN2C(=O)Cn1ncnn1 1217915046 IECFUWDGROYTSA-HZSPNIEDSA-N 320.397 -0.061 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN([C@H](C)C(=O)N(C)C)C[C@@H]1O 1221141552 VVKLIKRGJQOIRH-UPJWGTAASA-N 313.398 -0.783 30 20 DBED CNS(=O)(=O)CCC(=O)NCC1CCN(CC#N)CC1 1223190272 XGDRFRVOVHHWFB-UHFFFAOYSA-N 302.400 -0.723 30 20 DBED COCC#CCN1CC[C@@H]2CCN(C(=O)[C@H]3CCNC3=O)C[C@@H]21 1223253302 ZKFAYLUEAXUONY-ILXRZTDVSA-N 319.405 -0.305 30 20 DBED C#CCC1(C(=O)NC2CCN(CC(N)=O)CC2)CCOCC1 1227745354 KWKBAYKFXYNWFB-UHFFFAOYSA-N 307.394 -0.128 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCC(NC(=O)c2nc[nH]n2)CC1 1229655947 WLVQFEZVKUGKLW-SNVBAGLBSA-N 306.370 -0.310 30 20 DBED O=C(C#CC1CC1)NCC[C@H]1CN(CCF)CCS1(=O)=O 1230461824 HAPKTUCLVVBOEX-ZDUSSCGKSA-N 316.398 -0.025 30 20 DBED C#CCOCCNC(=O)C(=O)N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1260309056 CWSMAOOLALKIIB-HEHGZKQESA-N 324.377 -0.453 30 20 DBED C=CCn1cc(CNC(=O)C(=O)NC[C@]2(C)CCCO2)nn1 1261446766 ILBYFBKYAZCQSU-AWEZNQCLSA-N 307.354 -0.234 30 20 DBED C#CCn1cc(CNC(=O)CCC[C@]2(C)NC(=O)NC2=O)cn1 1261758888 NNQOGBMZSGDNDB-HNNXBMFYSA-N 317.349 -0.099 30 20 DBED C#CC[C@@H](NC(=O)[C@H]1COCCN1CC(F)(F)F)C(=O)O 1262178142 RGWMFKRSXHCVOT-RKDXNWHRSA-N 308.256 -0.158 30 20 DBED C#CCNC(=O)COC(=O)CCN/C(O)=C1/N=CC=CC1=O 1318678228 JTZMYQCARXOKQD-YPKPFQOOSA-N 305.290 -0.805 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@H]1CCCOCC1 1323414429 WZDSZNHBXVWDTI-NSHDSACASA-N 318.395 -0.611 30 20 DBED C#CCO[C@H](C)C(=O)N1CCN(C(=O)N2CCOCC2)CC1 1325103359 DZHHEHSJMQDCEK-CYBMUJFWSA-N 309.366 -0.379 30 20 DBED N#CCNC(=O)CNC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 1326871784 PWVRPSREBQHHLG-UHFFFAOYSA-N 319.708 -0.094 30 20 DBED COC[C@H]1CCCN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)C1 1329452570 KJWLHJLJSFIIDT-SWLSCSKDSA-N 309.366 -0.252 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)c2cc(CO)on2)CC1 1331873635 QSMXAOJOHBVOBV-UHFFFAOYSA-N 320.349 -0.936 30 20 DBED C=C[C@H](CO)NC(=O)C(=O)Nc1ccnn1C[C@@H]1CCOC1 1347038435 SKRVLALSMPIQFN-WDEREUQCSA-N 308.338 -0.479 30 20 DBED C=CCCN(C)C(=O)C(=O)NC[C@@H]1CC[C@@H](C(=O)N(C)C)O1 1347193748 IVJCGYPXRLFPIL-RYUDHWBXSA-N 311.382 -0.227 30 20 DBED C[C@@H]1CCC[C@]1(O)CNC(=O)Cn1cc(C#N)c(O)nc1=O 1362498330 VKRRQJQNKFQUDR-OTYXRUKQSA-N 306.322 -0.512 30 20 DBED C[C@]1(CO)C[C@@H](O)CN1C(=O)CNC(=O)c1ccc(C#N)cc1 1364088038 DWQJCYTYLOEHBO-CZUORRHYSA-N 317.345 -0.368 30 20 DBED COCC(=O)NCCC(=O)N(C)C[C@H](C)NC(=O)[C@H](C)C#N 1395591848 CBKMCCHYQJRJNT-MNOVXSKESA-N 312.370 -0.738 30 20 DBED C[C@H](NC[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCO1)C(N)=O 1402610885 RPLIGUQPJQUGDW-ONGXEEELSA-N 305.338 -0.809 30 20 DBED COC(=O)C[C@H](C)CC(=O)NCCn1cc(C#N)c(O)nc1=O 1412376488 YKQMYPPATDAVMB-SECBINFHSA-N 322.321 -0.474 30 20 DBED CCCN(CCNC(=O)[C@@H](C)C#N)CC(=O)NC(=O)NC1CC1 1420576290 DPLGDHPDSBNDHB-NSHDSACASA-N 323.397 -0.038 30 20 DBED Cc1nnc(N2CC[C@](F)(C#N)C2)n1CC(=O)N1CCOCC1 1434613056 RCPMXHQQFSRVHQ-AWEZNQCLSA-N 322.344 -0.113 30 20 DBED N#Cc1ccc(NCC(=O)NC[C@@H](O)Cn2ccnn2)cc1 1451061982 JKUFAKRTKGEEKK-CYBMUJFWSA-N 300.322 -0.261 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CN(C)C(=O)CN(C)C1CCC1 1451878606 XAQDJRZYHKILCI-AAEUAGOBSA-N 310.398 -0.434 30 20 DBED CC[C@@H](C)[C@H](OC)C(=O)NCCn1cc(C#N)c(O)nc1=O 1453847431 ZITBURRXHWYHNQ-KOLCDFICSA-N 308.338 -0.002 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@H]2C[C@H]3C=C[C@H]2NC3)CC1 1548548241 MBJNDDWOCJXKNW-QLFBSQMISA-N 318.421 -0.403 30 20 DBED Cn1nccc1[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CCN(O)C1=O 1553140437 AMJZVLAZRXSYHN-HOSYDEDBSA-N 308.338 -0.006 30 20 DBED C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H](CNS(N)(=O)=O)C1 1574852574 VMVWWMZYIBAORA-UWVGGRQHSA-N 324.834 -0.512 30 20 DBED C=CCCn1cc(C(=O)N[C@H](C)CNCCc2cnn[nH]2)nn1 1575099707 BSYDJSYZALGBHA-LLVKDONJSA-N 318.385 -0.077 30 20 DBED COCCN(CC#N)C(=O)c1cnn2cc(CCN)cnc12 1579021963 JDSCXVIOSQFOIY-UHFFFAOYSA-N 302.338 -0.157 30 20 DBED CN1CC[C@@](O)(CNc2cnc(C#N)c(-c3nn[nH]n3)n2)C1 1579349832 UGZNPGMOPKLOOB-GFCCVEGCSA-N 301.314 -0.993 30 20 DBED COC(=O)CNC(=O)CNc1c(C#N)cccc1-c1nn[nH]n1 1579450444 OCYNLKXPGOGASW-UHFFFAOYSA-N 315.293 -0.561 30 20 DBED Cc1oc(C#N)cc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n1cc([C@H](CO)Nc2cnc(-c3nn[nH]n3)c(C#N)n2)cn1 1592566126 CWBJQXHTOOYBSD-VIFPVBQESA-N 312.297 -0.593 30 20 DBED C[C@]1(C#N)CN(S(=O)(=O)c2cc(C(=O)O)[nH]n2)CCO1 1593743656 XTUBVIWIHQFLNW-JTQLQIEISA-N 300.296 -0.589 30 20 DBED CN(CCOCCNC(=O)[C@@H]1C[C@@H]1C(=O)O)C(=O)C#CC1CC1 1598498252 UUDSQMJESLUECZ-OLZOCXBDSA-N 322.361 -0.288 30 20 DBED COC(=O)C[C@@H](NS(=O)(=O)c1ccc(C#N)o1)C(=O)O 1598838735 DIBFNKDTDUXSEU-SSDOTTSWSA-N 302.264 -0.554 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CC[C@](COC)(C(=O)O)C1 1603737135 XEGRRJOFOBHQMI-LBPRGKRZSA-N 319.383 -0.110 30 20 DBED Cc1nc(C(=O)N[C@@H](Cn2cncn2)C(=O)O)ccc1C#N 1607945993 NMGFREFSYMOSIG-NSHDSACASA-N 300.278 -0.264 30 20 DBED CNC(=O)NC(=O)[C@@H](C)NC[C@H]1CCCN1C(=O)C#CC1CC1 1698729505 PVPIPZYCNXXNQL-DGCLKSJQSA-N 320.393 -0.176 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)Cc2c(C)noc2C)C1 1714334382 PMDACRDCHFYOJV-ZDUSSCGKSA-N 318.377 -0.226 30 20 DBED COCC#CCN[C@H](CNC(=O)c1nnc(O)nc1O)C1CC1 1752470731 IUVYFELPEBXVFB-SNVBAGLBSA-N 321.337 -0.969 30 20 DBED N#CCNC(=O)CN[C@H]1C[C@H](NC(=O)[C@@H]2CC23CCOCC3)C1 1752692416 UECAFDCVUBLBRL-AVGNSLFASA-N 320.393 -0.320 30 20 DBED C#CCN1CCC[C@@H]([C@H](C)NC(=O)CS(=O)(=O)N(C)C)C1 1752839719 DIKLVAWMSGXXPS-QWHCGFSZSA-N 315.439 -0.272 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H]1[C@@H]2CN([C@@H](C)c3nncn3C)C[C@@H]21 1752844398 QAIMOQDAAJTBBO-MEBFFEOJSA-N 317.393 -0.039 30 20 DBED C#CCNC(=O)[C@H](C)N(C)CCNC(=O)C[C@H]1CCCC(=O)N1 1753054232 GGZLAKBBNYBQOF-QWHCGFSZSA-N 322.409 -0.769 30 20 DBED C#CCNC(=O)CNCC[C@@H]1CCCN(C(=O)[C@H]2CCOC2)C1 1753542351 HGYFCHJJAQKXHT-GJZGRUSLSA-N 321.421 -0.009 30 20 DBED C=CCN1CC[C@H](N[C@@H](CNC(=O)CNC(C)=O)C(C)C)C1=O 1753822716 OVXPLNIDFNIEGJ-KBPBESRZSA-N 324.425 -0.360 30 20 DBED C#CCCN1CC[C@@H]1CNC(=O)C[C@]1(C)CCS(=O)(=O)N1 1754500575 LEBCDKGKMMGETO-OCCSQVGLSA-N 313.423 -0.328 30 20 DBED C#CCCCC(=O)NC[C@]1(O)CCN([C@@H]2CCN(CC)C2=O)C1 1754748694 LHRNJEMBDOWWRL-RHSMWYFYSA-N 321.421 -0.036 30 20 DBED C=CCCN[C@]1(CO)CCCN(C(=O)c2cc(=O)n(C)cn2)C1 1755086562 UYJLSNSJGSVYLF-MRXNPFEDSA-N 320.393 -0.087 30 20 DBED C=CCN[C@]1(CO)CCCN(C(=O)c2ccc(C(N)=O)[nH]2)C1 1755089280 LVQHYYVMPYQDBE-OAHLLOKOSA-N 306.366 -0.144 30 20 DBED C#CCNC(=O)CN[C@H](C)[C@@H](C)NC(=O)C12CCCN1CCC2 1755241803 HXADRMOWLREAPP-ZIAGYGMSSA-N 320.437 -0.153 30 20 DBED C=CCNC(=O)[C@H](C)N1CC(CCO)(NC(=O)c2cocn2)C1 1755329908 FDHQUKVDYIEYEG-NSHDSACASA-N 322.365 -0.468 30 20 DBED C#CCNC(=O)CN1C[C@H](NC(=O)Cn2cccn2)C(C)(C)C1 1755405275 JYIXLKAFCQVOLB-ZDUSSCGKSA-N 317.393 -0.541 30 20 DBED CN(C(=O)[C@@H]1[C@H]2COC[C@H]21)[C@H](CNCC(=O)NCC#N)C1CC1 1755565196 ULEIZVVEYNDLEA-COMQUAJESA-N 320.393 -0.655 30 20 DBED C#CCNC(=O)CNC[C@@H](C1CC1)N(C)C(=O)c1ccncn1 1755568652 CEHMSHIETHAGGW-AWEZNQCLSA-N 315.377 -0.334 30 20 DBED Cc1nc([C@@H](C)N[C@@H](CO)CNC(=O)CSCC#N)no1 1755623397 FKIFTONMJUGUKY-PSASIEDQSA-N 313.383 -0.238 30 20 DBED CC#CCN[C@@H](CO)CNC(=O)[C@@H]1CCCN1c1ncccn1 1755631900 MTCAIUJJMRAEGP-KGLIPLIRSA-N 317.393 -0.465 30 20 DBED C=CC(C)(C)C(=O)N(C)C[C@H](O)CN[C@@H]1CCC(=O)NC1=O 1755784729 BITNCJKDVCCXII-GHMZBOCLSA-N 311.382 -0.587 30 20 DBED COCC#CCNC[C@@H](O)CN(C)C(=O)Cc1cscn1 1755788857 AQQFAUCTUAHBDH-CYBMUJFWSA-N 311.407 -0.256 30 20 DBED CN(C[C@@H](O)CNCC#N)C(=O)CS(=O)(=O)C(C)(C)C 1755791885 PWJBURFQLUWFIA-JTQLQIEISA-N 305.400 -0.868 30 20 DBED C#CCNC(=O)[C@H](C)NC1CC(N(C)C(=O)C(C)(C)C(N)=O)C1 1755857365 JSLWLXHUAUNZJA-UNXYVOJBSA-N 322.409 -0.785 30 20 DBED C=CCOCC(=O)NC[C@H]1[C@@H]2CN(C(=O)[C@H](C)NC(N)=O)C[C@H]12 1756194491 GOCZSEGWPWMJCV-FIQHERPVSA-N 324.381 -0.934 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CN(C(=O)[C@]2(F)CCOC2)C[C@H]1O 1756995885 POFVVRAMEJRLSO-JMSVASOKSA-N 310.325 -0.784 30 20 DBED C=CCCCC(=O)N[C@@H]1CN(C(=O)Cc2cc[nH]n2)C[C@@H]1O 1757204911 BVKAANSYRDVJBL-OLZOCXBDSA-N 306.366 -0.004 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H]1C[C@@H](NC(=O)Cc2nc[nH]n2)C1 1757319416 XJZCAEOGCXYIKE-UTUOFQBUSA-N 319.365 -0.604 30 20 DBED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ncccn3)C[C@@H]21 1790790755 BVITYDRHPGSZBE-AVGNSLFASA-N 314.345 -0.297 30 20 DBED C[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)S)C[C@@H]21 1791056467 RVJYRSNRQJXSHC-HTFCKZLJSA-N 316.423 -0.335 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)CNC(C)=O)C2 1841611120 VTFDHHQZGMOBAL-LBPRGKRZSA-N 323.393 -0.083 30 20 DBED C=CCNC(=O)NC(=O)CN1C(=O)c2ccccc2S1(=O)=O 5778758 XAJCNHHNFQZSGT-UHFFFAOYSA-N 323.330 -0.157 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)CCn2cncn2)CC1 73395227 SEQJJWHHHANFTL-UHFFFAOYSA-N 306.370 -0.885 30 20 DBED CCN(C[C@@H](C)C#N)C(=O)CN1CCN(CCOC)C(=O)C1 91830450 SEIFZWMOGIEACM-ZDUSSCGKSA-N 310.398 -0.215 30 20 DBED C#CCN1CCN(C(=O)c2ccccc2OCC(N)=O)CC1 128292251 WHHROBWNXRTUAA-UHFFFAOYSA-N 301.346 -0.058 30 20 DBED C/N=C(\NCC(=O)NC(C)C)N1CCC(CC(=O)NC)CC1 153031774 FTZFYWHUKNWKQD-UHFFFAOYSA-N 311.430 -0.066 30 20 DBED N#CCCN(CCC#N)C(=O)CN1CCN2C(=O)NC[C@@H]2C1 175941946 VZDJDOICPSALDT-GFCCVEGCSA-N 304.354 -0.648 30 20 DBED CCOC(=O)c1cnn(C)c1NC(=O)CN1CCOC[C@H]1C#N 266883853 YYQMEHXNTVJRLF-SNVBAGLBSA-N 321.337 -0.240 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](CO)CC2CCC2)C1=O 279908328 FGERDORJHXADNA-LLVKDONJSA-N 323.349 -0.370 30 20 DBED N#Cc1ncn(CCNC(=O)[C@@H]2CC(c3cccnc3)=NO2)n1 286897144 OYKHPRXGXNPOND-LBPRGKRZSA-N 311.305 -0.146 30 20 DBED C=CCCCS(=O)(=O)NCCn1cc(C(=O)OC)nn1 292405786 TZPAWGHVAPUCPF-UHFFFAOYSA-N 302.356 -0.050 30 20 DBED CN1CCN(S(=O)(=O)c2ccc(C#N)s2)[C@H](CN)C1 300707578 KXPRCJNGNUQNER-SECBINFHSA-N 300.409 -0.117 30 20 DBED C[C@]1(CN/C(O)=N/CCN2CCCS2(=O)=O)CCOC1 329409528 AFIPZEOEGQXJQN-GFCCVEGCSA-N 305.400 -0.048 30 20 DBED COc1ncncc1N=C(O)N1CC[C@]2(C1)N=C(O)N(C)C2=O 329501097 YOBYARHPELDWEQ-CYBMUJFWSA-N 320.309 -0.139 30 20 DBED C[C@@](C#N)(NC(=O)CN1CCC[C@@H]1CS(N)(=O)=O)C1CC1 331683220 QKCDHKJLLXGSJO-YPMHNXCESA-N 314.411 -0.452 30 20 DBED CCN(CCC#N)S(=O)(=O)NCCS(=O)(=O)NC1CC1 336917054 NAXYUKDBUAKRPI-UHFFFAOYSA-N 324.428 -0.862 30 20 DBED CCN(CCC#N)S(=O)(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1 336947650 PPLWKSIBXGDEFB-UWVGGRQHSA-N 304.372 -0.911 30 20 DBED CC(C)(C)[C@@H](CCO)NS(=O)(=O)N1CCO[C@H](C#N)C1 337101222 VYMXMJMOCKQJDS-GHMZBOCLSA-N 305.400 -0.158 30 20 DBED CNC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 340630437 LSAJKPKQUUPGQX-GFCCVEGCSA-N 300.318 -0.479 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccnc(C)n2)C1=O 344957362 ZDDMHFAVSJBMCS-UHFFFAOYSA-N 303.278 -0.300 30 20 DBED CN1C(=O)CO[C@H](C(=O)NCCCC#N)[C@@H]1c1cnn(C)c1 348413910 SPZNFKFAJMGRMP-STQMWFEESA-N 305.338 -0.262 30 20 DBED CC[C@@H](C)NC(=O)CN1CCN(S(=O)(=O)[C@@H](C)C#N)CC1 352413652 PZZYQGRAECXBOT-NEPJUHHUSA-N 316.427 -0.239 30 20 DBED Cc1nc([C@H](C)NS(=O)(=O)N2CCO[C@@H](C#N)C2)n[nH]1 352538569 MAHVULBPLNUEFH-CBAPKCEASA-N 300.344 -0.767 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)CCCC(=O)NCC)CC1 354071885 CELHJZPCYUNBGK-UHFFFAOYSA-N 324.425 -0.261 30 20 DBED CC(C)N1CC[C@@H](N(C)S(=O)(=O)N2CCO[C@@H](C#N)C2)C1 452098756 BJDULZMGBXRNGN-OLZOCXBDSA-N 316.427 -0.130 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)C2=C(C)OCCC2)CC1 491166279 QNOBZPJXNWMENA-UHFFFAOYSA-N 305.378 -0.036 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)Cc2cccnc2C)CC1 491209227 DFMWNNQVINHIIJ-UHFFFAOYSA-N 314.389 -0.174 30 20 DBED C[C@H](O)CN(CC(F)F)S(=O)(=O)N1CCO[C@@H](C#N)C1 520254185 NRJNMMCDZHWCIR-IUCAKERBSA-N 313.326 -0.597 30 20 DBED N#CCNC(=O)CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 521303670 IVGZIJSZRSPNOH-UHFFFAOYSA-N 304.310 -0.248 30 20 DBED N#Cc1ccc(F)c(CS(=O)(=O)NCCn2ncnn2)c1 536583182 JKUICTUYFBDYKA-UHFFFAOYSA-N 310.314 -0.197 30 20 DBED C=CCC[C@H]1NC(=O)N([C@@H]2CCN(S(C)(=O)=O)C2)C1=O 567999239 LYGZEABCLCQYSU-NXEZZACHSA-N 301.368 -0.093 30 20 DBED C=CCn1cc(CNC(=O)N2CC[C@@H](NC(=O)NC)C2)nn1 571076812 OANQWNVFCWRSFA-SNVBAGLBSA-N 307.358 -0.323 30 20 DBED CN1C[C@@H](NCCS(=O)(=O)c2ccc(C#N)cn2)CC1=O 577172091 HSLRYGHQJRLTOL-NSHDSACASA-N 308.363 -0.453 30 20 DBED CN(C)[C@H]1CN(C(=O)CNC(=O)c2ccc(C#N)cc2)C[C@@H]1O 590557591 UTJQRVLZRIVENA-KBPBESRZSA-N 316.361 -0.579 30 20 DBED CN(C)c1nc(N)nc(C(=O)NC2CCN(CC#N)CC2)n1 593893404 RTZRMVWUIWTGDN-UHFFFAOYSA-N 304.358 -0.762 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)NC[C@@H](C(=O)O)C2CCC2)CCO1 596025783 ZNWGUFZJVBWQRU-GHMZBOCLSA-N 317.367 -0.454 30 20 DBED C[C@H]1CN(CCNC(=O)NCCn2cnc(C#N)n2)[C@H](C)CO1 596598318 LBOGGXDZXWVUNV-NEPJUHHUSA-N 321.385 -0.442 30 20 DBED C=CCC[C@@H](NC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)C(=O)OCC 597733079 PUNMGXLNTZNMIZ-FDYHWXHSSA-N 313.350 -0.587 30 20 DBED C[C@H]1CCN(C(=O)C(=O)N2CCN(CCC#N)CC2)C[C@H]1CO 601510413 CTSQXMVYITZBDW-KBPBESRZSA-N 322.409 -0.479 30 20 DBED C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)N1CCN(CCC#N)CC1 602204630 SHKQRSGDVYSSQG-YPMHNXCESA-N 308.382 -0.680 30 20 DBED COC[C@H](C)NC(=O)NC(=O)CN1CCN(CCC#N)CC1 611173792 LBWXENMDFWNMMJ-LBPRGKRZSA-N 311.386 -0.622 30 20 DBED CN(C)S(=O)(=O)N1CCN(C(=O)CC(C)(C)C#N)CC1 618634275 DXAMSEAKFZVIMQ-UHFFFAOYSA-N 302.400 -0.123 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCN(CCC)C2)C1=O 619898551 KHGIRBQVJOIADO-LLVKDONJSA-N 322.365 -0.436 30 20 DBED C=C[C@H](O)C(=O)NCC(=O)N1CCN(Cc2ccccc2)CC1 646786964 REDXUMZXYROMFC-HNNXBMFYSA-N 317.389 -0.006 30 20 DBED C=C[C@H](O)C(=O)N1CCN([C@H](C(N)=O)c2ccccc2)CC1 665825406 CSDKUNSTPLGPNK-KBPBESRZSA-N 303.362 -0.096 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@H](C)CS(C)(=O)=O 747075898 LZNIGTKQLHPQPO-RKDXNWHRSA-N 320.367 -0.389 30 20 DBED C#CCC[C@@H](O)CNC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O 799077342 DTTBWBCNXBONTG-IAQYHMDHSA-N 307.350 -0.403 30 20 DBED C#C[C@H](NC(=O)C(=O)NCCNC(=O)C(C)(C)C)[C@@H]1CCCO1 804097914 LABMPPXYWVJXFY-RYUDHWBXSA-N 323.393 -0.438 30 20 DBED N#CCNC(=O)CNC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] 804820665 KJXJTKJCAMGGTL-UHFFFAOYSA-N 320.261 -0.458 30 20 DBED N#CCNC(=O)CNC(=O)Nc1ccc(-n2nccn2)nc1 806212337 OGTWBVYIDWLZFR-UHFFFAOYSA-N 300.282 -0.576 30 20 DBED CN(C)c1c(C=NNc2ncc(F)cn2)c(=O)n(C)c(=O)n1C 807981156 DHHFJVYHIQMDDU-UHFFFAOYSA-N 321.316 -0.475 30 20 DBED C#CC[C@@H](CO)NC(=O)c1cc(N2CCNC(=O)C2)ccn1 820059786 MRFDYCLVLKCKRI-NSHDSACASA-N 302.334 -0.868 30 20 DBED C=CCS(=O)(=O)CCNC(=O)/C=C1\SCC(=O)N1C 821837894 MQKXHQOKJUHHJW-XFFZJAGNSA-N 304.393 -0.250 30 20 DBED C#CCCN1CCN(C(=O)c2cnn(C[C@H](O)CO)c2)CC1 825078137 VOEMTMJYIKNRNZ-AWEZNQCLSA-N 306.366 -0.983 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](OC)C(C)C)CC1 831568707 PMNLHDFRHHZOEZ-LBPRGKRZSA-N 317.411 -0.731 30 20 DBED C#CCOCCC(=O)N1[C@H]2CC[C@H]1[C@@H](C(=O)OC)[C@@H]2C(=O)O 833364200 LFCUNRCXEXLACR-YRRQLQLVSA-N 309.318 -0.111 30 20 DBED CCONC(=O)CNS(=O)(=O)c1ccc(C#N)cc1OC 846003691 KJPSJJPIMPQGAF-UHFFFAOYSA-N 313.335 -0.087 30 20 DBED C#CCN(CC#N)C(=O)[C@H](CO)NC(=O)c1ccc(F)cc1 846067373 QSHZHEVCZALCLE-ZDUSSCGKSA-N 303.293 -0.098 30 20 DBED Cc1nn(CC(=O)NCCNc2ccc(C#N)cn2)c(=O)n1C 847332592 RGWBIKBTDAOGSC-UHFFFAOYSA-N 315.337 -0.615 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)NCCN(C)C(=O)OC 875458841 JBSFSLYRNKFUQX-NSHDSACASA-N 313.354 -0.655 30 20 DBED C#CC[C@H](CO)NC(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 914378539 DGCIJYLVTYWFEF-GHMZBOCLSA-N 303.384 -0.906 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](NC(=O)c2ccc(C(N)=O)o2)C1 941803857 BAUPVQSBMGNILD-DTWKUNHWSA-N 304.306 -0.131 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H]2CCCC[C@H]2NC(=O)C(N)=O)c1 946428486 RLHUTHSCXWYWGK-GHMZBOCLSA-N 317.349 -0.224 30 20 DBED CN(C(=O)Cn1ncn(C)c1=O)[C@H]1CCCN(CC#N)CC1 948566406 OFWBVYRNXJKWTP-LBPRGKRZSA-N 306.370 -0.582 30 20 DBED CNC(=O)CN1CCC2(CC1)CN(C(=O)[C@H](C)C#N)CCO2 949051317 GGDBXSSUROQUEF-GFCCVEGCSA-N 308.382 -0.415 30 20 DBED COc1cc(C(=O)NC[C@H]2CCN2C(=O)[C@H](C)C#N)ncn1 950141664 CXZDCRZAZRKQGO-NXEZZACHSA-N 303.322 -0.024 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]1CNC(=O)c1cn(C)c(=O)cn1 951487169 AWORVGSOXJTETH-NXEZZACHSA-N 303.322 -0.729 30 20 DBED Cc1nc(CC(=O)N[C@H]2CCCN(C(=O)[C@H](C)C#N)C2)n[nH]1 951868973 ZGNDZLDGLKJILG-KOLCDFICSA-N 304.354 -0.078 30 20 DBED N#CCN1C[C@H](O)[C@H](CNC(=O)c2snnc2C2CC2)C1 958158576 SBXVWLHCLLDYJZ-ZJUUUORDSA-N 307.379 -0.038 30 20 DBED C=CCN1C[C@@H](O)[C@H](CNC(=O)c2ccnc3c2CC(=O)N3)C1 958214905 OHORWBQBKGGYSE-ZWNOBZJWSA-N 316.361 -0.215 30 20 DBED N#CCN1C[C@H](CNC(=O)c2cc3c(cn2)OCCC3)[C@@H](O)C1 958630652 KCCLDUTWPWZKOF-JSGCOSHPSA-N 316.361 -0.047 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)CCn3ccnn3)C[C@@H]2C1 961451987 ASVOJCZHBPTXPK-UPJWGTAASA-N 316.365 -0.255 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@H](NC(=O)c2nccnc2N)C1 961961666 XSHCPJGLSXKAJH-ZJUUUORDSA-N 319.365 -0.428 30 20 DBED C=C(C)C(C)(C)C(=O)N1C[C@H](O)[C@H](NC(=O)c2nnn(C)n2)C1 969796068 CGTSDERGTJCZBP-ZJUUUORDSA-N 322.369 -0.886 30 20 DBED C#CCCN1CC([C@@H](C)NC(=O)C2CC3(C2)NC(=O)NC3=O)C1 970567614 SRLUSQBWYSENNG-VHTNMKBUSA-N 318.377 -0.566 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc[nH]2)C[C@@H]1O 970701778 CFSYXKBYMLNWLF-ZZVYKPCYSA-N 319.361 -0.093 30 20 DBED CN(CC#N)[C@@H]1CCN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 972569483 VWQOVQADSGRPQK-SNVBAGLBSA-N 315.337 -0.873 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](CNC(=O)C2CS(=O)(=O)C2)C1 983210760 FHRMYOOJBATTHX-VHSXEESVSA-N 313.379 -0.845 30 20 DBED C=CCn1cc(C(=O)N2CC(NC(=O)c3cnc(C)[nH]3)C2)nn1 990503009 CIIKODSMYMWHGA-UHFFFAOYSA-N 315.337 -0.250 30 20 DBED N#Cc1ccc(C(=O)N2CC(NC(=O)C[C@H]3COC(=O)C3)C2)[nH]1 990830734 GIQQCPHTAVPMRO-SECBINFHSA-N 316.317 -0.220 30 20 DBED CC#CCN1CCC[C@H](NC(=O)CN2C(=O)CN(C)C2=O)[C@H]1C 994370234 ZYSIMBPBSALMGO-OLZOCXBDSA-N 320.393 -0.127 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)c2cc(CN(C)C)on2)C1 995006422 UGYUXHFPDUMLEU-VIFPVBQESA-N 305.338 -0.164 30 20 DBED C=C1CCC(C(=O)NC2CN(C(=O)[C@H]3CNC(=O)N3)C2)CC1 999093308 NWITZVGJIJVYML-GFCCVEGCSA-N 306.366 -0.259 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CC(N)=O 1006379902 NLUDISVNWZFQEC-KVSVUVNWSA-N 321.377 -0.299 30 20 DBED C[C@@H](NC(=O)c1c[nH]c(=O)cn1)C1CN(C(=O)C#CC2CC2)C1 1006728039 CTFABLBDEHGTAR-SNVBAGLBSA-N 314.345 -0.240 30 20 DBED C[C@@H]1[C@H](NC(=O)c2c[nH]c(=O)cn2)CCN1C(=O)C#CC1CC1 1011739868 VLBMERWTADVVQJ-ZYHUDNBSSA-N 314.345 -0.098 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C(=O)[C@@H]2CCCCN2C(N)=O)CC1 1012330562 HXXHBTCUDQBCIZ-RYUDHWBXSA-N 321.381 -0.250 30 20 DBED C[C@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCCN1C(=O)CC(N)=O 1014854612 YPFCRHZDJFFSRS-ONGXEEELSA-N 317.349 -0.129 30 20 DBED N#CCN1CCC2(CC1)C[C@@H]2NC(=O)[C@@H]1CCS(=O)(=O)C1 1016716532 VTYNTIGWHDUYKF-NEPJUHHUSA-N 311.407 -0.085 30 20 DBED C=CCN(C)[C@@H]1CCCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 1027683146 DFTUBWUGZJORJX-NEPJUHHUSA-N 301.412 -0.213 30 20 DBED C#Cc1ccc(C(=O)NCC2CN(CC(=O)N(C)C)C2)nc1 1032135478 WJOQOFGSABRQKV-UHFFFAOYSA-N 300.362 -0.187 30 20 DBED Cc1nc(O)nc(O)c1CC(=O)N1C[C@@H]2C[C@H]1CN2CC#N 1032697923 WTGXGAJSZPANGX-UWVGGRQHSA-N 303.322 -0.453 30 20 DBED N#CCN1CCCC[C@@H](NC(=O)C2CC3(C2)NC(=O)NC3=O)C1 1034435984 NXYQXSYZNJMPBB-LOIXOFCESA-N 319.365 -0.531 30 20 DBED Cn1ncc2cc(C(=O)NC[C@@H]3CN(CC#N)CCO3)cnc21 1035557416 XSWAFHZWHRRUNO-CYBMUJFWSA-N 314.349 -0.078 30 20 DBED C#CCOc1ccc(C(=O)N[C@@H]2[C@H]3C[C@H]2N(CC(N)=O)C3)cc1 1037622185 YKJLVJQSLWIFOK-JGGQBBKZSA-N 313.357 -0.014 30 20 DBED CS(=O)(=O)CCN1CC[C@@H]1CNC(=O)c1ccc(C#N)[nH]1 1038169742 OHACKKJISPEKTQ-LLVKDONJSA-N 310.379 -0.265 30 20 DBED N#Cc1ccc(C(=O)NC[C@@H]2CCN2[C@@H]2CCCNC2=O)[nH]1 1038172267 GHIKHKOIIDVKTG-WCQYABFASA-N 301.350 -0.031 30 20 DBED C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CC(=O)NC1=O 1039477984 RSBONNXLULASHZ-UPJWGTAASA-N 303.362 -0.262 30 20 DBED CC(C)C#CC(=O)NC[C@@]1(O)CCN(C(=O)Cc2nc[nH]n2)C1 1039665110 FDCZVGAEACACEP-HNNXBMFYSA-N 319.365 -0.914 30 20 DBED C#CCOCCC(=O)NC[C@]1(O)CCN(C(=O)c2cocn2)C1 1039719225 QEDIBHMTKNFPJN-OAHLLOKOSA-N 321.333 -0.592 30 20 DBED C#CCN1[C@H]2CCC[C@H]1CN(C(=O)[C@H]1CCS(=O)(=O)N1)C2 1040009025 XHXIXNTUXZIADT-RWMBFGLXSA-N 311.407 -0.623 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@](O)(CNC(=O)c2cnn[nH]2)C1 1040268723 KKQMXJLCJQMNQC-AWEZNQCLSA-N 307.354 -0.290 30 20 DBED C#CCCCCCC(=O)N1CC[C@](O)(CNC(=O)C(N)=O)C1 1040749896 CCWJQEVIIJKADV-HNNXBMFYSA-N 309.366 -0.865 30 20 DBED Cn1nccc1C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1O 1040942626 DMUKXRLRKLSRHK-ZYHUDNBSSA-N 313.321 -0.939 30 20 DBED N#Cc1ccc(C(=O)N2CC(O)(CNC(=O)[C@@H]3CCOC3)C2)[nH]1 1041874867 WLWHFNJEOFHPME-SNVBAGLBSA-N 318.333 -0.774 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)[C@@H](C)COC)C1 1042040560 UOIKCHOOVPRDCF-NSHDSACASA-N 300.355 -0.839 30 20 DBED CO[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1NC(=O)c1nc[nH]n1 1042872194 XYVKOSQPFULNSP-VXGBXAGGSA-N 313.321 -0.295 30 20 DBED C=CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)COCCC)C1 1043571555 QBOWKTMBWWQZRT-LBPRGKRZSA-N 314.382 -0.306 30 20 DBED Cc1nonc1C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1044013556 SBAQNTIDKSDTMC-BDAKNGLRSA-N 315.293 -0.981 30 20 DBED C=C(C)C[C@@H](C)C(=O)NCC1(O)CN(C(=O)[C@@H]2CCNC2=O)C1 1045063547 BKZPFEBUOFCUSW-VXGBXAGGSA-N 323.393 -0.586 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)c2ccncc2F)C1 1045541547 XHHQPZZUBFSBSM-VIFPVBQESA-N 306.297 -0.317 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]2CC[C@@H](C1)N2Cc1nc(=O)n(C)[nH]1 1045734898 IIPCALOMWOGJGS-TUAOUCFPSA-N 318.381 -0.167 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCn3nccc32)C1 1047433107 XMHXLFVUEAQQLZ-QEJZJMRPSA-N 302.378 -0.103 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCS2(=O)=O)C1 1047633786 LMFBITJRCBXSKW-AVGNSLFASA-N 314.407 -0.910 30 20 DBED CCOCC(=O)N(C)[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1O 1048122630 AJAMQVGKLLAWHY-STQMWFEESA-N 320.349 -0.433 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cc[nH]n2)C1 1048328007 VKZBLQMRFJBNTD-STQMWFEESA-N 304.350 -0.287 30 20 DBED C=CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2ncn(C)n2)C1 1048785396 KKONHBFIINEZEJ-RYUDHWBXSA-N 321.381 -0.185 30 20 DBED CCNC(=O)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C#CC(C)C)C1 1048811058 LJFKPZZVDVBEAF-STQMWFEESA-N 323.393 -0.798 30 20 DBED C#CCO[C@H](C)C(=O)N(C)[C@H]1CN(C(=O)C2CCC2)C[C@@H]1O 1048852971 UWEGLJLBJDDYDJ-XBFCOCLRSA-N 308.378 -0.145 30 20 DBED C=CCN1CC[C@@H](NCC[C@@H]2CCN(C(=O)C(N)=O)C2)C1=O 1050230727 ORIMZUNNMXDEAP-VXGBXAGGSA-N 308.382 -0.913 30 20 DBED C=C(C)CCN1CCOC[C@@H]1CNC(=O)c1nnc(O)nc1O 1051010259 PXCTXCRNCOIUMC-JTQLQIEISA-N 323.353 -0.320 30 20 DBED N#CCN1CC2(CC[C@H](CNC(=O)[C@@H]3CCCCC(=O)N3)O2)C1 1053661915 AMEMFHOTEUJXPQ-OLZOCXBDSA-N 320.393 -0.082 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)[C@@H]3CCCCC(=O)N3)CO2)C1 1053921648 KKOMCMAJORFREG-NEPJUHHUSA-N 306.366 -0.472 30 20 DBED Cc1nonc1C(=O)N[C@H]1[C@@H]2CN(c3ccc(C#N)nn3)C[C@@H]21 1056242815 QTTDUQYTBQHYOY-IWIIMEHWSA-N 311.305 -0.096 30 20 DBED N#Cc1cncc(NC2CC3(CC(NC(=O)C(N)=O)C3)C2)n1 1056535389 FJHAFRAQRNXTSP-UHFFFAOYSA-N 300.322 -0.327 30 20 DBED N#Cc1nccnc1N[C@@H]1CCN(C(=O)[C@@H]2CCCNC2=O)C1 1056721141 ADPJCHUMTVQIDI-GHMZBOCLSA-N 314.349 -0.113 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H]1CCN(C(=O)[C@@H]2CCCNC2=O)C1 1056721374 LTSJJZBILWSURR-CHWSQXEVSA-N 313.361 -0.086 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)c1ccnc(O)c1 1057331185 WKHPTXGAANJVTD-JTQLQIEISA-N 306.322 -0.502 30 20 DBED CCc1ncoc1C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N 1058656898 MSKGXJXQZILWEG-JTQLQIEISA-N 308.338 -0.053 30 20 DBED N#Cc1ccc(N[C@H]2CCN(C(=O)CCn3cnnn3)C2)nn1 1058947946 ZDMHFDLUGDCELF-NSHDSACASA-N 313.325 -0.562 30 20 DBED C[C@@]1(C(=O)N2CC[C@H](Nc3nccnc3C#N)C2)CNC(=O)C1 1059007536 BLIALXYAVMHODM-BONVTDFDSA-N 314.349 -0.113 30 20 DBED N#Cc1ccc(NC[C@H]2CCN(C(=O)C3(C(N)=O)CC3)C2)nn1 1060967096 ILDQRLSNZNVXRX-SNVBAGLBSA-N 314.349 -0.126 30 20 DBED C=CCO[C@H](C)C(=O)N1CCOC[C@H]1CNC(=O)c1cc[nH]n1 1061332192 SZGHUMAVAYQVJC-VXGBXAGGSA-N 322.365 -0.042 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1CCC(=O)N1 1061566198 HUHOHSJDBALUTR-OLZOCXBDSA-N 321.377 -0.732 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(NC(=O)CNC(C)=O)CCC1 1062866048 KLPMJHRWKKRPKM-CQSZACIVSA-N 311.382 -0.395 30 20 DBED N#Cc1ccc(NC[C@H]2CCCN2C(=O)Cn2cnnn2)nn1 1063442874 PNFWFKDPLRPHAQ-LLVKDONJSA-N 313.325 -0.562 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(C(=O)[C@H]2CCCO2)CCO1 1064815721 ZCPOJFFKRYVSOB-UONOGXRCSA-N 306.362 -0.078 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(C(=O)c2cncnc2)CCO1 1065072310 ZPWOADURTKRDIJ-AWEZNQCLSA-N 314.345 -0.153 30 20 DBED C=CCCOCC(=O)N1CCO[C@H](CNC(=O)c2ncc[nH]2)C1 1065278872 PSQCNAIUFSHJKB-GFCCVEGCSA-N 322.365 -0.040 30 20 DBED CNC(=O)CC(=O)N(C)CCCN(C)C(=O)CSCC#N 1066871720 LAVGEFPHANQVLO-UHFFFAOYSA-N 314.411 -0.314 30 20 DBED N#Cc1nccc(N2C[C@H](O)[C@H](CNC(=O)c3ccc[nH]3)C2)n1 1067657115 XFBUVDWMHVISMQ-PWSUYJOCSA-N 312.333 -0.097 30 20 DBED C=CCOCC(=O)N1CC2(C1)CN(C(=O)c1cnn[nH]1)CCO2 1068411367 MREAWTXKCVYSJX-UHFFFAOYSA-N 321.337 -0.939 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H]2CCN(C)[C@@H]2C)C1 1069930417 IGQBXIQIOOPSPN-TUVASFSCSA-N 316.409 -0.407 30 20 DBED CN1CCC[C@@H]1C(=O)N1C[C@H]2C[C@@H]3CN(CC#N)C[C@]2(C1)O3 1070775249 YNKNPTXHSQMDIA-IXYNUQLISA-N 304.394 -0.094 30 20 DBED CNC(=O)NC(C)(C)C(=O)N1CCC[C@@H](NC(=O)[C@H](C)C#N)C1 1070858330 KWIGVIAPNPHKSB-GHMZBOCLSA-N 323.397 -0.039 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CCCN(C(=O)c2nnc(O)nc2O)C1 1071033884 YGMXCBHXBZZQBO-HTQZYQBOSA-N 320.309 -0.837 30 20 DBED C[C@@H]1CN(C(=O)c2cn(C)c(O)n2)C[C@@]2(CCN(CC#N)C2)O1 1071209408 JJBJRUMYMZDOSN-ABAIWWIYSA-N 319.365 -0.045 30 20 DBED C=CCCN1CCN([C@@H]2CCCN(C(=O)CC(N)=O)C2)C(=O)C1 1071260187 KLOFRUFHCDSIFW-CYBMUJFWSA-N 322.409 -0.427 30 20 DBED C[C@@H]1CN(C(=O)CSCC#N)C[C@@H]1NC(=O)c1cnn(C)n1 1071661532 LJPIKKSSAWYIEG-KOLCDFICSA-N 322.394 -0.351 30 20 DBED C[C@H]1CN(C(=O)CSCC#N)C[C@H]1NC(=O)C1(C(N)=O)CC1 1071662981 ZAYDMFIMMZMDMY-VHSXEESVSA-N 324.406 -0.528 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](NC(=O)c2cn[nH]c2)[C@H](C)C1 1071932778 NJEUPCGMDZBICV-ZYHUDNBSSA-N 317.349 -0.874 30 20 DBED C[C@@H]1CN(C(=O)CCn2cnnn2)C[C@@H]1NC(=O)C#CC1CC1 1072598926 CLXYDQBGCJBUIB-YPMHNXCESA-N 316.365 -0.560 30 20 DBED N#CCN1CCCO[C@@H](CNC(=O)c2coc(C(N)=O)c2)C1 1073706212 MFGQEFYDOLQBHZ-NSHDSACASA-N 306.322 -0.277 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)c2ccoc2CC(N)=O)C1 1073742739 DJIIFTGLRQTMCU-LBPRGKRZSA-N 319.361 -0.239 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCN(C(=O)CNC(N)=O)C[C@@H]1C 1073961252 YRHWKWOONCUZLS-NWDGAFQWSA-N 324.381 -0.952 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](NC(=O)c2cnn[nH]2)[C@@H](C)C1 1074049497 QCEGCYBAXRJMKQ-NWDGAFQWSA-N 319.365 -0.189 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(O)(CNC(=O)c2ncn(C)n2)CC1 1074705573 VALBHOJUGBPDFJ-JTQLQIEISA-N 320.353 -0.942 30 20 DBED C[C@H](C#N)C(=O)N1CCC(O)(CNC(=O)C2=CCOCC2)CC1 1074705587 VEAZRHYUMNIEGE-GFCCVEGCSA-N 321.377 -0.038 30 20 DBED C[C@H](C#N)C(=O)N1CCC(O)(CNC(=O)c2cncnc2)CC1 1074705755 YIADVFWWWAPAKQ-LLVKDONJSA-N 317.349 -0.280 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)c1ccon1 1075766537 ODKHHXMXMLNHFL-JTQLQIEISA-N 306.322 -0.561 30 20 DBED C#CCN1C[C@@H]2CCN(C(=O)CCN3C(=O)CCC3=O)[C@@H]2C1 1076008855 KFMKPTXRFYCIII-QWHCGFSZSA-N 303.362 -0.309 30 20 DBED N#CCN1C[C@@H]2CCN(C(=O)C3CCS(=O)(=O)CC3)[C@@H]2C1 1076315979 ZARCJBGOTWUJFE-QWHCGFSZSA-N 311.407 -0.133 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2c(C)nc3ccnn3c2C)C1 1077265789 GMIAWRCORWDEKE-CHWSQXEVSA-N 313.361 -0.246 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)c2ccnc3c2CC(=O)N3)C1 1077303555 WAODUZVTMUKAEZ-CHWSQXEVSA-N 316.361 -0.073 30 20 DBED C[C@@H](CCNC(=O)c1nnn(C)n1)NC(=O)c1c[nH]c(C#N)c1 1077877470 OXMVIYYCHICBJF-QMMMGPOBSA-N 316.325 -0.652 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)C1 1078161510 XDLJPVLRXAQYCY-NWANDNLSSA-N 319.405 -0.428 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)Cn2c(C)csc2=O)C1 1078164557 NQTPCQSMXVDZKY-VXGBXAGGSA-N 311.407 -0.044 30 20 DBED C=CCN[C@@H]1C[C@H](NC(=O)CN2CCNC(=O)C2)C12CCC2 1078695202 JMROECJGTQQWCQ-OLZOCXBDSA-N 306.410 -0.379 30 20 DBED C=CCCOCC(=O)N(C)[C@H]1CCCN(C(=O)C(N)=O)CC1 1078991432 RZZIUMYJFSBJTD-LBPRGKRZSA-N 311.382 -0.096 30 20 DBED C=CCOCC(=O)N(CC)C1CN(C(=O)[C@H]2CC[C@H]2C(N)=O)C1 1079493822 IJJFKZGEIIBETI-OLZOCXBDSA-N 323.393 -0.240 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(N(CC)C(=O)CNC(=O)CC)C1 1079503005 QMLDQFUXQXLCAG-GFCCVEGCSA-N 323.393 -0.390 30 20 DBED C#CCOCCC(=O)N1CC(N(CC)C(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1080294539 KDKHQEKOEXAJES-FOLVSLTJSA-N 320.389 -0.022 30 20 DBED C#CCOCCC(=O)NC[C@H]1CN(C(=O)CCCF)C[C@H]1O 1081489515 VYWBBNMEKIRZCR-QWHCGFSZSA-N 314.357 -0.289 30 20 DBED C#CCCCC(=O)N1CCCC[C@H]1CNC(=O)CNC(N)=O 1082037181 OJGOJISSDDGSAH-LBPRGKRZSA-N 308.382 -0.045 30 20 DBED C=CCn1cc(C(=O)N2C[C@@H](N[C@@H](C)C(N)=O)[C@H](C)C2)nn1 1082791207 GBHAYRKREAOBCD-OUAUKWLOSA-N 306.370 -0.612 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)Cc1n[nH]c(C)n1 1083078651 NASXEYHSDNLNGM-QWHCGFSZSA-N 303.366 -0.409 30 20 DBED N#CCN[C@H]1C[C@@H](CNC(=O)c2cn(C[C@H]3CCOC3)nn2)C1 1086238056 ZVEWFGRNNNYJPK-UPJWGTAASA-N 318.381 -0.064 30 20 DBED C[C@@H](C[C@H](C)Nc1cncc(C#N)n1)NC(=O)CNC(N)=O 1089214969 LVSZPZZLNXTNAB-IUCAKERBSA-N 305.342 -0.288 30 20 DBED N#CCN1C[C@H]2[C@@H]3CC[C@@H](CN3C(=O)Cn3nccn3)[C@H]2C1 1089812025 KUOXIYGWTWCVKO-DGAVXFQQSA-N 300.366 -0.030 30 20 DBED CCc1nc(C#N)cc(N2C[C@@H](O)[C@H](NC(=O)[C@H](C)C#N)C2)n1 1090404875 YNXHYZAATGWLKM-YUSALJHKSA-N 314.349 -0.264 30 20 DBED CN(C)CCC(=O)N[C@@H]1CCN(c2nccnc2C#N)C[C@@H]1O 1092173479 LHJSCGXKVNYVHY-YPMHNXCESA-N 318.381 -0.644 30 20 DBED C#CCN1C[C@@H]2CN(C(=O)Cn3nc(C)ccc3=O)C[C@]2(C)C1 1092218063 XFJZTRDWHMFFAF-PBHICJAKSA-N 314.389 -0.035 30 20 DBED C[C@H](CC(N)=O)C(=O)NC1[C@@H]2CN(c3cnc(C#N)cn3)C[C@@H]12 1093330860 LCGJFCLFRKMWFN-FBIMIBRVSA-N 314.349 -0.589 30 20 DBED N#Cc1nccnc1NCCNC(=O)c1nccnc1C(N)=O 1093624897 CWNYZUXAOMBESM-UHFFFAOYSA-N 312.293 -0.921 30 20 DBED Cc1ccc(C#N)c(NCCNC(=O)CN2CC(=O)NC2=O)n1 1093788046 UKBVQBMUSDBACF-UHFFFAOYSA-N 316.321 -0.658 30 20 DBED Cc1ccc(C#N)c(NCCNC(=O)[C@@H]2CN(C)C(=O)N2)n1 1094060332 DCKXSGCSUZSFDT-NSHDSACASA-N 302.338 -0.187 30 20 DBED CC#CCN1CCN(C(=O)c2cnon2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094671709 OFQDKMJIJARWQB-NWDGAFQWSA-N 324.362 -0.984 30 20 DBED Cc1ccc(C#N)c(NCCCNC(=O)[C@H]2CNC(=O)N2)n1 1094751657 PNWAXHUVKLWQDW-LLVKDONJSA-N 302.338 -0.139 30 20 DBED C=C(C)CN1CC(N2C[C@@H](NC(=O)[C@@H]3[C@H]4COC[C@H]43)CC2=O)C1 1094772108 OOAOMWHMWSGZHS-YYWXWVFPSA-N 319.405 -0.144 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)c3nonc3C)CC2=O)C1 1094824364 GFZQHHBHGFRNNK-JTQLQIEISA-N 305.338 -0.421 30 20 DBED CNC(=O)NCC(=O)N1CC[C@@H](N(C)c2ccc(C#N)cn2)C1 1095157471 SSQSBMUJDKEEKB-GFCCVEGCSA-N 316.365 -0.081 30 20 DBED COCCN1C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC#N)CC1=O 1095491823 JQSRLTWKBXQJDJ-MQYQWHSLSA-N 320.393 -0.274 30 20 DBED CN(CCCNC(=O)[C@H]1CCCNC1=O)c1cncc(C#N)n1 1095665785 YAGFZIPEFMPMRF-LBPRGKRZSA-N 316.365 -0.183 30 20 DBED CCN(CCCNC(=O)[C@H]1CCC(=O)N1)c1ccnc(C#N)n1 1095847517 ZEYGJNNJRNWVPI-LLVKDONJSA-N 316.365 -0.041 30 20 DBED CNC(=O)CC(=O)NCCCN(c1ccc(C#N)nn1)C1CC1 1096026727 OPAWXVKNCWYBNN-UHFFFAOYSA-N 316.365 -0.041 30 20 DBED CNC(=O)NCC(=O)N[C@@H]1CCCN(c2ccc(C#N)nc2)C1 1096240515 YXBMEZLTCZTDER-GFCCVEGCSA-N 316.365 -0.033 30 20 DBED N#Cc1ccc(N[C@@H](CNC(=O)[C@@H]2CCNC2=O)C2CC2)nn1 1096782592 FAOLCVRLUHGVQL-NEPJUHHUSA-N 314.349 -0.209 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CCCNC1=O)Nc1ccc(C#N)nn1 1098120178 ABVGILBJRJKUJD-GXSJLCMTSA-N 302.338 -0.209 30 20 DBED Cc1cc(=N[C@H](C)CNC(=O)[C@@H]2CCNC2=O)c(C#N)c[nH]1 1098211146 GLSXLTDTLAPAIM-ZYHUDNBSSA-N 301.350 -0.264 30 20 DBED C#CCCCC(=O)N[C@@H]1CCN(CCNC(=O)C2CC2)C[C@H]1O 1099805042 WFGXTDUAFIJVOY-HUUCEWRRSA-N 321.421 -0.133 30 20 DBED Cc1nc(N(C)CCNC(=O)C2CS(=O)(=O)C2)ccc1C#N 1100165229 MTHVOTFUTCIAQR-UHFFFAOYSA-N 322.390 -0.141 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CC(CNC(=O)c2ccnn2C)C1 1100166412 GCZIXCIJDOHRNW-PNESKVBLSA-N 317.393 -0.344 30 20 DBED CCN(CCNC(=O)CCCC(N)=O)c1cnc(C#N)cn1 1100554577 XTADFOBRHGQGIE-UHFFFAOYSA-N 304.354 -0.054 30 20 DBED CCN(CCNC(=O)C1(C(N)=O)CC1)c1ccc(C#N)nn1 1100698949 RYNKXJGCBMESRC-UHFFFAOYSA-N 302.338 -0.444 30 20 DBED COCC#CCN1C[C@@H](C)[C@H](CNC(=O)Cn2nccn2)C1 1102007993 WQIZVDGINIDVJJ-ZIAGYGMSSA-N 305.382 -0.388 30 20 DBED C=CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)c2nonc2C)C1 1102615250 SJMVGUDZJRSXOA-ZYHUDNBSSA-N 321.381 -0.022 30 20 DBED CC[C@@H](CNC(=O)CCCC(N)=O)N=c1cc[nH]c(C#N)n1 1103115596 AXWZNCPGNOAKOL-JTQLQIEISA-N 304.354 -0.268 30 20 DBED C[C@@](CNc1cncc(C#N)n1)(NC(=O)CNC(N)=O)C1CC1 1103483280 XVGKLLFPFUZMCK-AWEZNQCLSA-N 317.353 -0.287 30 20 DBED C[C@H](CNC(=O)C1CS(=O)(=O)C1)CNc1nccnc1C#N 1104096425 IUBKVVRNEZNUNY-VIFPVBQESA-N 323.378 -0.443 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](O)CNC(=O)c2cnns2)n1 1105723547 RSVXHCJIWRYUKD-VIFPVBQESA-N 319.350 -0.289 30 20 DBED CCc1nc(C#N)cc(NC[C@H](O)CNC(=O)c2cc[nH]n2)n1 1105768357 YBTBNAJETDILOL-JTQLQIEISA-N 315.337 -0.163 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H](O)CNC(=O)[C@@H]1[C@H]2COC[C@H]21 1106062100 CCNNOPVELQWNFR-CIQGVGRVSA-N 302.334 -0.843 30 20 DBED CCc1ncoc1C(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1 1106096283 FNBBQXMWMRHTQM-SECBINFHSA-N 316.321 -0.477 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)CN2C(=O)CCC2=O)C[C@H]1C 1106963462 JLBOGBQOWDTNDJ-CHWSQXEVSA-N 305.378 -0.157 30 20 DBED COCC(=O)N[C@@H](C)C(=O)N[C@H](C)CN=c1cc[nH]cc1C#N 1108174364 VIDIRNOEJHRSSC-MNOVXSKESA-N 319.365 -0.557 30 20 DBED COc1nccc(C(=O)N[C@H](C)CN=c2cc[nH]c(C#N)n2)n1 1108214843 JGTNNQJTTLCJRQ-SECBINFHSA-N 313.321 -0.201 30 20 DBED COCC#CCN1CCO[C@@](C)(CNC(=O)Cc2nc[nH]n2)C1 1108331488 ROKKVNMOSTYSMW-HNNXBMFYSA-N 321.381 -0.796 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)[C@@H]1CCCN1C(N)=O 1108425477 ALQASZSKMMTTQK-UWVGGRQHSA-N 317.353 -0.770 30 20 DBED C=C(C)CN1CCO[C@](C)(CNC(=O)C[C@H]2CC(=O)NC2=O)C1 1108446721 HIGKFNBZPNONKZ-BLLLJJGKSA-N 323.393 -0.178 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)C3(C(=O)NC)CC3)CC2=O)C1 1108580126 IGCAOMZREZUJEN-NSHDSACASA-N 320.393 -0.900 30 20 DBED COCC#CCN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCNC(N)=O)C2 1108817962 WLSJDDGLAPJXEC-MJBXVCDLSA-N 322.409 -0.336 30 20 DBED C[C@H](NC(N)=O)C(=O)N[C@H](C)CN(C)c1ccnc(C#N)n1 1108915360 KHJKXXKTKIXJGZ-BDAKNGLRSA-N 305.342 -0.654 30 20 DBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cn1cccn1 1108928575 PUVPQFNBHVZRHS-RDBSUJKOSA-N 317.393 -0.093 30 20 DBED C[C@]1(NC(=O)CNC(N)=O)CCN(c2ccnc(C#N)n2)C1 1110708867 NNDFFRKCOQEMOR-ZDUSSCGKSA-N 303.326 -0.898 30 20 DBED CO[C@@H](C)C(=O)NC[C@@]1(O)CCN(c2cnc(C#N)cn2)C1 1111025847 LDRLTWYHTQJGFC-HZMBPMFUSA-N 305.338 -0.559 30 20 DBED N#Cc1nccnc1NC1(CNC(=O)[C@@H]2COC(=O)N2)CCC1 1111803772 PPKGIQZQMRVEJY-JTQLQIEISA-N 316.321 -0.093 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CCN(c2ccc(C#N)nn2)C[C@@H]1C 1112401160 XLVCVJWHCJVPFU-CMPLNLGQSA-N 316.365 -0.185 30 20 DBED C[C@H](N=c1cc[nH]c(C#N)n1)[C@H](C)NC(=O)CCn1cncn1 1112955859 WBAJJTXURKUOFM-QWRGUYRKSA-N 314.353 -0.243 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 1112966315 WQNSSPXJSIUIJB-OAHLLOKOSA-N 308.426 -0.227 30 20 DBED CNC(=O)NCC(=O)N[C@@H](C)[C@@H](C)N=c1cc[nH]c(C#N)n1 1113350625 WQYSZBNGDAYMFF-BDAKNGLRSA-N 305.342 -0.996 30 20 DBED C=CCC[C@@H](C)N1CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)CC1 1113405868 HEESZJYVOTYGDD-OCCSQVGLSA-N 324.425 -0.135 30 20 DBED CCC(=O)NCC(=O)NC[C@@H](C)N(C)c1cncc(C#N)n1 1113537687 RBUCKZOIILIAHP-SNVBAGLBSA-N 304.354 -0.185 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)CCn3cncn3)[C@@H]2C1 1113871551 XIPZEDAIFVTXBP-CHWSQXEVSA-N 303.366 -0.636 30 20 DBED CN1CC[C@H](N2C[C@H]3C(NC(=O)CSCC#N)[C@@H]3C2)C1=O 1113898772 BLGLNIKXSAEJLZ-MXWKQRLJSA-N 308.407 -0.480 30 20 DBED COCc1noc(CN2C[C@H]3C(NC(=O)[C@@H](C)C#N)[C@@H]3C2)n1 1114064764 VDGAPMNIHOALNA-IVZWLZJFSA-N 305.338 -0.078 30 20 DBED COCC#CCN1C[C@@H]2C(NC(=O)Cc3cc(C)[nH]n3)[C@H]2C1 1114123003 SMUCWGTZYSQXJB-KBPBESRZSA-N 302.378 -0.043 30 20 DBED C=CCOCCN1C[C@H]2C(NC(=O)Cn3cnnc3O)[C@@H]2C1 1114155025 FHVFNKATDCBVCB-GHMZBOCLSA-N 307.354 -0.767 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@@H]2CN(Cc3ncccn3)C[C@@H]12 1114158404 WFYOIYAWDOGNRX-VXGBXAGGSA-N 313.361 -0.838 30 20 DBED C#CCCCCC(=O)NC1[C@@H]2CN(Cc3nc(=O)n(C)[nH]3)C[C@@H]12 1114160477 YUCMTHVXMCREPA-VXGBXAGGSA-N 317.393 -0.152 30 20 DBED N#Cc1ccc(N2C[C@@H]3C(CNC(=O)Cn4nccn4)[C@H]3C2)nn1 1114579948 FBBLLIMPIRHCFY-CHWSQXEVSA-N 324.348 -0.562 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@H](CNc2nccn3nnnc23)C1 1114748925 NNLNEPKXQZNAET-GUBZILKMSA-N 300.326 -0.014 30 20 DBED Cc1c(C(=O)NC2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]23)ccn1C 1114796842 NHCJBAXLAXSOCD-CHWSQXEVSA-N 315.377 -0.367 30 20 DBED CNC(=O)C1(C(=O)NC2[C@@H]3CN(CC#CCOC)C[C@@H]23)CCC1 1115155866 CXCNCCMYAKGPDS-CHWSQXEVSA-N 319.405 -0.401 30 20 DBED CCN1CCO[C@H](C(=O)NC2[C@H]3CN(CC#CCOC)C[C@H]23)C1 1115270265 WHYGFFRJBRMGQW-KKUMJFAQSA-N 321.421 -0.597 30 20 DBED CCN1CCO[C@H](C(=O)N[C@H]2[C@@H]3CN(CC#CCOC)C[C@@H]32)C1 1115270267 WHYGFFRJBRMGQW-XUWVNRHRSA-N 321.421 -0.597 30 20 DBED CC#CCN1C[C@H]2C(NC(=O)CNC(=O)c3ccccn3)[C@@H]2C1 1115282160 JVGSMVKRFIBPFF-CHWSQXEVSA-N 312.373 -0.119 30 20 DBED C[C@H](CN(C)C(=O)[C@@H]1COCCN1C)Nc1cnc(C#N)cn1 1115682582 RSZSSZQNKNDDIV-YPMHNXCESA-N 318.381 -0.062 30 20 DBED C#C[C@H](NC(=O)C(=O)NCCNC(=O)C(C)C)[C@@H]1CCCO1 1117527653 BQTCFWJXFRWJAP-RYUDHWBXSA-N 309.366 -0.828 30 20 DBED C=C(C)COCCNC(=O)C(=O)N1CC(=O)N[C@@H]2CCCC[C@@H]21 1117605971 XONRDJLESPYOIT-OLZOCXBDSA-N 323.393 -0.035 30 20 DBED Cc1noc([C@H](C)NC(=O)C(=O)N2CC[C@](O)(CC#N)C2)n1 1118152974 RFAMRMOFGXSOSE-ISVAXAHUSA-N 307.310 -0.568 30 20 DBED C[C@H](NC(=O)C(=O)NCc1nnn(C)n1)c1cccc(C#N)c1 1119500829 VCWIWHDSZFGRJZ-VIFPVBQESA-N 313.321 -0.425 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N1CCC[C@H]1C1OCCO1 1119892497 KQISOIJIZOHMDT-OLZOCXBDSA-N 324.377 -0.105 30 20 DBED N#Cc1nc(=N[C@H](CO)CNC(=O)/C=C\c2ccco2)cc[nH]1 1121129596 VKKNBXRUUNPAFY-BYCRGOAPSA-N 313.317 -0.034 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)C[C@@H]2COC(=O)C2)cn1 1121302697 GQWSLPGEJRLTPJ-GXFFZTMASA-N 318.333 -0.205 30 20 DBED N#Cc1cncc(N[C@@H](CO)CNC(=O)Cc2cccnc2)n1 1121445819 DSTCDFMMMFQINY-CYBMUJFWSA-N 312.333 -0.125 30 20 DBED CCC(=O)N[C@@H](C)C(=O)NC[C@H](CO)Nc1cnc(C#N)cn1 1122752755 RMJIQKZYQNLLAK-GXSJLCMTSA-N 320.353 -0.848 30 20 DBED C#CCOCCC(=O)N(C)C[C@@H](O)CNc1nccc(OC)n1 1124520117 QIZMQHUXDLYMAW-LBPRGKRZSA-N 322.365 -0.244 30 20 DBED C#CCNC(=O)CC(=O)NCCNCCCCCn1cncn1 1125998712 UAGIGNXWWHCACR-UHFFFAOYSA-N 320.397 -0.706 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)CCCC(=O)NC)C1 1128929757 NEHRLKPWKMUZCH-OLZOCXBDSA-N 318.381 -0.831 30 20 DBED C#CCC1(C(=O)NCCN[C@H](C)C(=O)N(C)C)CCOCC1 1129117225 WTSQLIVKMYUGEF-CYBMUJFWSA-N 309.410 -0.011 30 20 DBED C#CCCN[C@@H]1CN(C(=O)CN(C)C(C)=O)C[C@@H]1n1ccnn1 1129612731 BIVPVDJYOXBECK-KGLIPLIRSA-N 318.381 -0.879 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CCc2nccn2C1 1130481567 WILUWJRTUYDMNZ-OLZOCXBDSA-N 317.393 -0.711 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)C2(C(N)=O)CC2)CC[C@H]1C 1133084849 ZBPGMTAWGSWBLR-ZIAGYGMSSA-N 321.421 -0.024 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)[C@H]1CCCCC(=O)N1 1133694701 WXSHWXFBFCMXAJ-NWDGAFQWSA-N 310.398 -0.558 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)c1ncccn1 1135731067 WNWUVTZDCVQWLG-NWDGAFQWSA-N 303.366 -0.288 30 20 DBED C=CCOCCNCCNC(=O)CN(C)S(=O)(=O)CC 1146183902 UQXWNYUVKRAUHB-UHFFFAOYSA-N 307.416 -0.824 30 20 DBED C#CCNC(=O)CC(=O)N1CC2(CCN([C@H](C)COC)C2)C1 1147374962 YDVNZNHNEWGSDV-CYBMUJFWSA-N 307.394 -0.305 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)CCc2cncn2C)C1=O 1149570865 CVSDSNANVSZTDG-CQSZACIVSA-N 319.409 -0.155 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(CC(=O)NCC#N)CCCO1 1149640883 VTHYLOBHSGVZLO-CQSZACIVSA-N 320.393 -0.363 30 20 DBED CC#CCN1CCCO[C@@H](CNC(=O)C[C@@H]2CCNC2=O)C1 1149853864 DVQDQVVPKFXCDO-KBPBESRZSA-N 307.394 -0.257 30 20 DBED C#CCN1CCC(CNC(=O)CCNC(=O)NC)(COC)CC1 1162252637 JOIJNTYYEWEMOM-UHFFFAOYSA-N 324.425 -0.217 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@H]1CCCN(CCC)C1 1164449024 AUOUMFKAGNESFF-HNNXBMFYSA-N 322.453 -0.046 30 20 DBED CNC(=O)NC(=O)CNCC1(CCNC(=O)C#CC2CC2)CC1 1164479584 RXLINQMZMFDDEU-UHFFFAOYSA-N 320.393 -0.269 30 20 DBED C#CCO[C@H](C)C(=O)NCCC1(CNCc2nc(O)n[nH]2)CC1 1164508562 DFSZAOQTOLGWRX-LLVKDONJSA-N 321.381 -0.075 30 20 DBED N#CCNC(=O)CNCCCNC(=O)c1cc(C2CC2)[nH]n1 1167248796 GLRORQJPQFEKDP-UHFFFAOYSA-N 304.354 -0.364 30 20 DBED C=CCOCCNCCCNC(=O)C1CC2(C1)NC(=O)NC2=O 1168129806 ZFUNYPHOEOQYCJ-UHFFFAOYSA-N 324.381 -0.727 30 20 DBED N#CCNC(=O)CNCCCNC(=O)c1ncc2n1CCCC2 1176501715 FHRSFPICYJCDLW-UHFFFAOYSA-N 318.381 -0.431 30 20 DBED C=CCNC(=O)CNCCCNC(=O)c1noc2c1COCC2 1176593975 SOJIKMLMGTVYDY-UHFFFAOYSA-N 322.365 -0.241 30 20 DBED CCNC(=O)NC(=O)CN[C@H]1CCN(C(=O)[C@@H](C)C#N)[C@H]1C 1178367176 ZIWALEWQFDSBBB-DCAQKATOSA-N 309.370 -0.429 30 20 DBED C[C@@H](C(=O)N1CC[C@@H](NCC(=O)NCC#N)C1)n1cccn1 1181098081 RMFSYOYZUXUKKV-NWDGAFQWSA-N 304.354 -0.726 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 1184397407 SAJKERGMICVHEI-KNCOVGOOSA-N 319.405 -0.259 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)C[C@](C)(O)C=C)C1 1189918403 PYSWZLVKRRCATQ-CZUORRHYSA-N 307.394 -0.404 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)Cc2ccc(C)o2)C1 1192257974 QPFFZBDWNXWIPA-HUUCEWRRSA-N 306.362 -0.058 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1CN(CC(=O)N(C)C2CC2)C[C@H]1O 1195287761 SPWZOPUEIFGRNS-CHWSQXEVSA-N 309.410 -0.019 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)CCCC#CC)C1 1195482790 AYGHWLGZFRVQGK-RRFJBIMHSA-N 319.405 -0.521 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)CN2CC[C@H](C)C2)C1 1196169771 ZAKCAXHGZOKERJ-RRFJBIMHSA-N 309.410 -0.861 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(CCCOC)C[C@H]2O)cn1 1197926742 VLHFBZQBAYAPFC-HUUCEWRRSA-N 303.362 -0.126 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)c2cnc(C)cn2)CC1 1199160339 OQSPNCLFSSCMRK-UHFFFAOYSA-N 315.377 -0.271 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)[C@@H]2[C@H]3COC[C@H]32)CC1 1202067138 CUKGLJMPCJHWNA-NHAGDIPZSA-N 305.378 -0.791 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)CC(=O)NC)[C@@H]1COC[C@@H]12 1205492026 OXQZENJWOFZEJT-UONOGXRCSA-N 319.405 -0.305 30 20 DBED COCC#CCNCC1CCN(C(=O)[C@@H]2CCN(C)C2=O)CC1 1205966279 QOSMJHDVMNKYAG-OAHLLOKOSA-N 321.421 -0.057 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2c[nH]nc2CC)[C@H](C)C1 1207805601 VUGSIBYCDPVMSA-BXUZGUMPSA-N 317.393 -0.228 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)c2ncccn2)C1 1210243660 IEOWULANYSDAOD-GFCCVEGCSA-N 301.350 -0.580 30 20 DBED COCC#CCN1C[C@@H](NC(=O)COCCOC)[C@H](OC)C1 1212047903 QCUBXOPIOFUDKX-ZIAGYGMSSA-N 314.382 -0.885 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)c2coc(C)n2)[C@H](OC)C1 1212163892 PLXMNRKGIXCZMZ-DGCLKSJQSA-N 322.365 -0.286 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)CCCS(C)(=O)=O 1213561708 KVSXMZJLUFUMHJ-GHMZBOCLSA-N 303.384 -0.850 30 20 DBED C[C@@H]1CN(C(=O)CCc2cn[nH]c2)C[C@H]1NCC(=O)NCC#N 1215847568 DPXSNKFZUBRZFQ-DGCLKSJQSA-N 318.381 -0.581 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)CC2CCCC2)C1 1219114664 XPUACRQXQYREKS-KGLIPLIRSA-N 307.394 -0.523 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)c2cscn2)C1 1219353735 JUWMOFUNWJJWAL-FOGDFJRCSA-N 322.390 -0.944 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)CCC(F)(F)F)C1 1219423204 KKQXQGPUCJRNQW-ZJUUUORDSA-N 321.299 -0.760 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@@H](CC(C)C)NC(C)=O)C1 1220809212 NWRRUCKKBVSRER-KFWWJZLASA-N 309.410 -0.278 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(CC(=O)NC2CC2)C[C@@H]1O 1221143364 BQZMRGNEDGXROH-RTXFEEFZSA-N 311.382 -0.983 30 20 DBED C=CCOCCN1CC[C@@H]2CN(C(=O)Cn3cnnn3)[C@@H]2C1 1221252839 DMSMYWWHBZLMDL-CHWSQXEVSA-N 306.370 -0.592 30 20 DBED C#CCN1CCC(CNC(=O)[C@H](C)N2C(=O)CCC2=O)CC1 1223397563 SSIYLSDXCMPPCQ-LBPRGKRZSA-N 305.378 -0.015 30 20 DBED C=CCCN1CCC(CNC(=O)C[C@@H]2NC(=O)NC2=O)CC1 1223494883 FFSNWKCMLUKKSL-LBPRGKRZSA-N 308.382 -0.011 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CCN(C(=O)c3cnon3)C[C@@H]21 1223716908 QWKUYZPPLLBMGN-YPMHNXCESA-N 317.349 -0.645 30 20 DBED CC#CCN1CCC(CNC(=O)C[C@@H]2CC(=O)NC2=O)CC1 1225702011 DZDHZXLWHJFKJM-CYBMUJFWSA-N 305.378 -0.109 30 20 DBED Cc1c(C(=O)NC2CCN(CC(=O)NCC#N)CC2)cnn1C 1226038311 PEHMQKHWAWIGLJ-UHFFFAOYSA-N 318.381 -0.438 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CCN(C[C@H](O)COC)CC1 1227849307 PFGJGAMTCXCWEZ-HOTGVXAUSA-N 323.437 -0.328 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)Cn2nccc2C)CC1 1229376651 FVKKIUVIINKGNY-UHFFFAOYSA-N 317.393 -0.478 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)[C@H](C)OCC#C 1234227249 WNHGUIICICORCV-KBPBESRZSA-N 305.378 -0.693 30 20 DBED C#CCNC(=O)[C@H](C)N(C)CCCNC(=O)c1cnsn1 1234473459 JWPWNNXSQHXESG-JTQLQIEISA-N 309.395 -0.272 30 20 DBED Cc1cc(NC(=O)CCn2cc[nH]c(=O)c2=O)n(CCC#N)n1 1318369060 NTQVYFBOWDINRL-UHFFFAOYSA-N 316.321 -0.016 30 20 DBED CNS(=O)(=O)c1cc(C(=O)NC2(C#N)CCOCC2)co1 1320197285 FMSAZSXYWQRTNE-UHFFFAOYSA-N 313.335 -0.010 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N[C@H](C)CS(C)(=O)=O 1320867704 BEMFIPGAICMGPN-SECBINFHSA-N 312.413 -0.681 30 20 DBED CCO[C@@H]1C[C@H](NC(=O)C(=O)N2CCO[C@@H](C#N)C2)[C@H]1OC 1323806624 IIQMNAWSCLBROH-NNYUYHANSA-N 311.338 -0.954 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N[C@H]1CCN(C(C)(C)C)C1=O 1326452291 TXWZXNXYGRUTRR-ZDUSSCGKSA-N 317.389 -0.013 30 20 DBED CCOC(=O)[C@H](CC(=O)NCCn1cnc(C#N)n1)C(C)=O 1328383142 DWGUSZCQSMCIEO-SNVBAGLBSA-N 307.310 -0.576 30 20 DBED N#C[C@H]1CC[C@@H](NC(=O)C(=O)N2CC[C@H](N3CCOC3=O)C2)C1 1328524187 FBVVJEHYYJKROF-TUAOUCFPSA-N 320.349 -0.152 30 20 DBED CC(=O)NC[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)CCO1 1329219138 RGVYASGSGVLMIC-XQQFMLRXSA-N 322.365 -0.842 30 20 DBED C=CCOCCNC(=O)C(=O)N1CCC[C@H](OCCO)C1 1329386802 QGNIPJSSCVCNSR-LBPRGKRZSA-N 300.355 -0.695 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CC[C@H]2NC(=O)CC[C@H]2C1 1334157800 UXICKEGKNCPTPH-QJPTWQEYSA-N 309.366 -0.569 30 20 DBED CC(C)(O)[C@@H]1CCCN(C(=O)C(=O)N2CCO[C@@H](C#N)C2)C1 1335887030 PBVODTNSQFTYGK-NEPJUHHUSA-N 309.366 -0.253 30 20 DBED C=CCn1c(N2CC(=O)N(C)C[C@H]2C)nnc1[C@@]1(O)CCOC1 1342443121 QFFKGDXGGZRNAX-IAQYHMDHSA-N 321.381 -0.261 30 20 DBED C#CCNCC(=O)Nc1ncn(CC(=O)N2CCCCCC2)n1 1343214908 ZJAUHWSURJPTTM-UHFFFAOYSA-N 318.381 -0.158 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CC[C@](O)(CC)C1 1343311304 JQNCDAISNFIQOE-CYBMUJFWSA-N 318.395 -0.923 30 20 DBED Cn1c(=O)[nH]c(NCC2(CS(C)(=O)=O)CC2)c(C#N)c1=O 1364543246 OJFPPPDILDOBNC-UHFFFAOYSA-N 312.351 -0.818 30 20 DBED Cc1n[nH]c(C)c1CCNS(=O)(=O)N1CCO[C@H](C#N)C1 1364894901 PQTSFNZZOBDSDA-LLVKDONJSA-N 313.383 -0.372 30 20 DBED Cc1nn(C)c(C)c1[C@@H](O)CNS(=O)(=O)N(C)CCC#N 1364979286 YVDCBRISIUOOTR-NSHDSACASA-N 315.399 -0.250 30 20 DBED C[C@@H](CNC(=O)c1ccc(C#N)[nH]1)NC(=O)CNC(=O)C1CC1 1377473887 LCDAIFNWEACADT-VIFPVBQESA-N 317.349 -0.353 30 20 DBED CNC(=O)NC(=O)[C@H](C)N[C@H]1C[C@H](CNC(=O)[C@H](C)C#N)C1 1397110422 LQKVQOHJPFLLJI-LMLFDSFASA-N 309.370 -0.525 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)C[C@@H]2CCC(=O)NC2)CC1 1410804308 KSNWYTUJCGPRTH-MNOVXSKESA-N 306.366 -0.173 30 20 DBED CC1(C)CN(C(=O)CCn2cc(C#N)c(O)nc2=O)CCN1 1411892025 VWSRCJMKBQRNOL-UHFFFAOYSA-N 305.338 -0.579 30 20 DBED CC1(C)C[C@@H](NC(=O)Cn2cc(C#N)c(O)nc2=O)C(=O)O1 1412718554 WFNNKXGIOFUOBP-MRVPVSSYSA-N 306.278 -0.969 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N1CC[C@H]2COC(=O)N[C@@H]2C1 1413391191 QDJLTMYQBZVGJU-OUAUKWLOSA-N 316.383 -0.105 30 20 DBED Cc1cc(N2CCN(CCS(N)(=O)=O)CC2)ncc1C#N 1413880176 MVBTUEBKGWNTGK-UHFFFAOYSA-N 309.395 -0.328 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@H]1CCN(C(N)=O)C1 1414301055 IGUAOLPFFYYENA-GHMZBOCLSA-N 317.415 -0.297 30 20 DBED C=C(Cl)CN1CC([C@H](C)NC(=O)CN2CCNC(=O)C2)C1 1425247046 VOIYKNAWGXOKPA-NSHDSACASA-N 314.817 -0.393 30 20 DBED C[C@H](C#N)C(=O)N1CCN(CCNC(=O)c2ccnn2C)CC1 1429800426 QQSDTNGZYYELFN-GFCCVEGCSA-N 318.381 -0.546 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1cc(C2CC2)no1 1431543420 UKNFKWBEDLIQNK-PSASIEDQSA-N 306.322 -0.081 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)[C@H](C)CN2CCOCC2)C1 1432258102 YWWDVHRYTHYOSU-NWDGAFQWSA-N 308.382 -0.559 30 20 DBED CCN(CCC#N)C(=O)CNC[C@@H](C)NC(=O)c1cn(C)nn1 1445366450 QYAFKPSNLFCMQX-LLVKDONJSA-N 321.385 -0.715 30 20 DBED CCCN(CCNC(=O)CCS(C)(=O)=O)C(=O)[C@H](C)C#N 1497284235 ATQFAJQSUMQZDE-LLVKDONJSA-N 317.411 -0.064 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1cccnc1N(C)C 1501526087 NWAAKMDDFSAYDF-QWRGUYRKSA-N 319.365 -0.486 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)C1(c2ccccn2)CC1 1533258220 OGLVXNFVWNLYCM-VXGBXAGGSA-N 316.361 -0.134 30 20 DBED N#Cc1nc(N2CCC[C@@H](n3ccnn3)C2)cnc1-c1nn[nH]n1 1570932663 VXRNMGYIVMZHGJ-SECBINFHSA-N 323.324 -0.039 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](N=c2cc[nH]c(-c3nn[nH]n3)n2)C1 1573563585 AYYRJQLTKJLFNQ-DTWKUNHWSA-N 313.325 -0.749 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)[C@@H]1C[C@H]1C(=O)O 1590926922 LQUJWOZDPXEVAB-VXGBXAGGSA-N 310.350 -0.696 30 20 DBED N#Cc1ccc(C(=O)NCCNc2cncc(-c3nn[nH]n3)n2)[nH]1 1592690745 XHSBVBGCRVQSBW-UHFFFAOYSA-N 324.308 -0.302 30 20 DBED N#CCN(CCC(=O)O)C(=O)CNC(=O)Cc1ccc(O)cc1 1601070201 KJGQWRGXOOXOMZ-UHFFFAOYSA-N 319.317 -0.122 30 20 DBED N#C[C@@H]1COCCN1C(=O)c1ccc(-c2nn[nH]n2)c(O)c1 1606345805 PTVSRNJGXMVINZ-SECBINFHSA-N 300.278 -0.063 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@H](NC(=O)COCCC=C)C1 1661049701 QBNYYWXCUUXHSH-KGLIPLIRSA-N 307.394 -0.093 30 20 DBED N#CCNC(=O)CN1C[C@@H]2C(CNC(=O)C[C@H]3CCOC3)[C@H]2C1 1675539099 LMPPNNITUDWZPB-MRVWCRGKSA-N 320.393 -0.653 30 20 DBED C=CCCN1C[C@@H]2CC[C@H](C1)N2C(=O)CS(=O)(=O)NC 1752544980 JVTTZUGEPCLNDH-TXEJJXNPSA-N 301.412 -0.213 30 20 DBED C#CCN1CCC[C@@H]([C@@H](C)NC(=O)Cn2ccc(O)nc2=O)C1 1752837141 RDIICRZLGJUERF-CHWSQXEVSA-N 318.377 -0.201 30 20 DBED C#CCN1CCC(C(=O)NC[C@H](C)N[C@H](C)C(=O)NC)CC1 1752921653 WSOSBNIRNFJOFQ-QWHCGFSZSA-N 308.426 -0.440 30 20 DBED COCC#CCN[C@@H](C)CCNC(=O)Cn1ccccc1=O 1753020030 ZNNLHPDDZHKOQX-AWEZNQCLSA-N 305.378 -0.018 30 20 DBED CN(CCNCC(=O)NCC#N)C(=O)CCN1CCCCC1 1753265331 BRJWYEALHHDFHJ-UHFFFAOYSA-N 309.414 -0.450 30 20 DBED CN(CCN(C)C(=O)CCc1ccncn1)CC(=O)NCC#N 1753854501 MWQLMSWMVJRKRX-UHFFFAOYSA-N 318.381 -0.561 30 20 DBED COc1coc(CNC[C@H](O)CNC(=O)C#CC2CC2)cc1=O 1753910858 FHHFDJUDSLBPTD-LBPRGKRZSA-N 320.345 -0.372 30 20 DBED C#CCCNC[C@@H](O)CNC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 1753918735 BMRISPMBYYYKTQ-HUUCEWRRSA-N 321.421 -0.275 30 20 DBED C=CCNC(=O)CNC[C@@H](C)NC(=O)c1cc2n(n1)CCCO2 1754234245 DOLFDAIORTTYNO-LLVKDONJSA-N 321.381 -0.324 30 20 DBED COCC#CCN1CC2(C1)CN(C(=O)CC(C)(C)O)CCO2 1755049316 JJUMIMNGPXPNPC-UHFFFAOYSA-N 310.394 -0.290 30 20 DBED CNC(=O)NCCC(=O)N(C)[C@H](CNCC#CCOC)C1CC1 1755570796 JJCHXKPMOBCVRD-CQSZACIVSA-N 324.425 -0.218 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2cnnc(O)c2)[C@@H]1C 1755656301 LPNZODJONHDYAK-ZYHUDNBSSA-N 317.349 -0.876 30 20 DBED C=CCNC(=O)CN[C@H]1C[C@@H](C)N(C(=O)c2cn(C)c(O)n2)C1 1755679916 ASVAMYCDWZPXMX-MNOVXSKESA-N 321.381 -0.380 30 20 DBED C#CCCN[C@H]1C[C@H](C)N(C(=O)COCc2nncn2C)C1 1755690046 MCYWHLCNZJABQY-STQMWFEESA-N 305.382 -0.066 30 20 DBED COCC#CCN[C@H]1CN(C(=O)[C@@H](C)NC(C)=O)CC1(C)C 1755751005 FTPJPCWXSTVEBY-OCCSQVGLSA-N 309.410 -0.013 30 20 DBED COCC#CCN(C)C[C@H](O)CN(C)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 1755805930 UVXGQGRUAVSFPE-JJXSEGSLSA-N 324.421 -0.045 30 20 DBED C=CCN1CCC([C@H](C)NC(=O)C[C@H](NC(C)=O)C(N)=O)CC1 1755850207 GZQUJJXZLNALLG-FZMZJTMJSA-N 324.425 -0.231 30 20 DBED N#CCNC(=O)CN1CC=C(CNC(=O)[C@@]23COC[C@@H]2C3)CC1 1755888122 NOKCHTMDNFDOKE-BBRMVZONSA-N 318.377 -0.589 30 20 DBED C=CCO[C@@H](C)C(=O)N(C)[C@@H](C)CNC(=O)CNC(=O)OC 1756004736 CULLZBAOVAXKSV-QWRGUYRKSA-N 315.370 -0.103 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H](CO)CNC(=O)c1ncccc1F 1756544708 CRASBGOTZKDXSE-QWRGUYRKSA-N 323.324 -0.534 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(C(=O)c2cnc(C)n2C)C[C@H]1O 1756991886 NTVXKGGYOKUZIB-TZMCWYRMSA-N 318.377 -0.166 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccnnc1O)CCO2 1783055403 YVKPTQPAYDAQHM-OAHLLOKOSA-N 316.317 -0.741 30 20 DBED CC(C)(NCCC#N)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN)C2 1796045302 SRFUWHZSIXXURT-CLLJXQQHSA-N 321.425 -0.135 30 20 DBED C#CCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)O 1800755912 NAMKDIZXKZJFHV-GUIRCDHDSA-N 308.378 -0.240 30 20 DBED C[C@H](S)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1=NNC(=O)C1)C2 1802292353 LIBLEYGNQBSMDP-QEYWKRMJSA-N 324.406 -0.181 30 20 DBED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)C(=O)C1CC1)C2 1846194575 SRAWEBINULEHOC-UHFFFAOYSA-N 304.302 -0.743 30 20 DBED C[C@H](S)C(=O)N1CCCC12CN(C(=O)Cn1nccn1)C2 1846369909 KAWQWGVKDNDWEC-JTQLQIEISA-N 309.395 -0.200 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CNC(C)=O 1847811093 GJUPZIGESXBULD-UBHSHLNASA-N 323.393 -0.085 30 20 DBED C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](C)C(N)=O)c1 55214477 PPOAAXJURLKBQN-SECBINFHSA-N 311.363 -0.246 30 20 DBED CN/C(=N\C[C@H]1CCN(C2CC2)C1)NCCN1CCOCC1 104172542 MPYITRQLSYDQOW-CQSZACIVSA-N 309.458 -0.032 30 20 DBED CCOC(=O)CN(CCOC)S(=O)(=O)N(C)CCC#N 107658961 LEOVXAPSOSOUGP-UHFFFAOYSA-N 307.372 -0.412 30 20 DBED CC[C@](C)(C#N)NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 127490706 QGCKJRULLYYLCF-CQSZACIVSA-N 318.337 -0.758 30 20 DBED C#CCN1CCN(C(=O)CN(C)CCS(=O)(=O)CC)CC1 129310693 LQPCOTRNDNXQGX-UHFFFAOYSA-N 315.439 -0.870 30 20 DBED COCCNC(=O)CN1CCN(C(=O)C2(C#N)CCC2)CC1 134523759 JWAGDLJMPTXPBN-UHFFFAOYSA-N 308.382 -0.413 30 20 DBED C=C[C@H](C)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 144635014 PQSZGCTXJNFTAX-TWBCTODHSA-N 321.337 -0.576 30 20 DBED N#CCCN(Cc1ccco1)C(=O)c1cn(CC(N)=O)nn1 172937135 UPEGNAQMJIBJJO-UHFFFAOYSA-N 302.294 -0.088 30 20 DBED CN(C)S(=O)(=O)CCNC(=O)COc1ccccc1C#N 231004584 OXUXASNZXJRLGX-UHFFFAOYSA-N 311.363 -0.055 30 20 DBED C/N=C(/NCC(=O)Nc1cccnc1)N1CCN(C(C)=O)CC1 263274484 XUYYMEOBUOLWSS-UHFFFAOYSA-N 318.381 -0.240 30 20 DBED C[C@H]1CS(=O)(=O)C[C@H]1NS(=O)(=O)c1cncc(C#N)c1 290109376 JMRVDRZWGNFTFI-GZMMTYOYSA-N 315.376 -0.335 30 20 DBED C=C[C@H](CO)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 290657132 RKTNMJJYCXBLRG-CMPLNLGQSA-N 323.374 -0.112 30 20 DBED N/C(=N/CCNS(=O)(=O)c1cccnc1)N1CCOCC1 305174683 FZXKFCWOQYFULL-UHFFFAOYSA-N 313.383 -0.993 30 20 DBED C[C@H](C/N=C(/O)N1CCCS(=O)(=O)CC1)N1CCOCC1 328994193 JGFHHFQKSRZMFS-GFCCVEGCSA-N 319.427 -0.258 30 20 DBED O/C(=N/C[C@@H]1COCCO1)N1CCN(C[C@@H]2CCOC2)CC1 330198156 SVQBJOHPIISEEZ-UONOGXRCSA-N 313.398 -0.030 30 20 DBED N#Cc1ncn(CC(=O)N2CCN(C/C(O)=N/C3CC3)CC2)n1 330257507 LOKNXXJZVJVJGU-UHFFFAOYSA-N 317.353 -0.587 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H](CO)c1cnn(C)c1 330372204 JZIBEZZIMSFLTP-KOLCDFICSA-N 301.372 -0.621 30 20 DBED CN(C(=O)CNc1ccc(C#N)cn1)[C@H]1CCS(=O)(=O)C1 330565980 VPVUUEPVRILPGH-NSHDSACASA-N 308.363 0.011 30 20 DBED COCCN1CCCN(S(=O)(=O)N(C)CCC#N)CC1=O 331896145 DTBMDYWMFYBEMX-UHFFFAOYSA-N 318.399 -0.743 30 20 DBED C[C@@H]1C[C@H](CNS(=O)(=O)N2CCO[C@@H](C#N)C2)CCO1 336943612 LOCKLSMHBVXYRY-UTUOFQBUSA-N 303.384 -0.140 30 20 DBED COCCCN(C)CCNS(=O)(=O)N1CCO[C@@H](C#N)C1 337078764 VINYYZRAHLESLB-LBPRGKRZSA-N 320.415 -0.987 30 20 DBED C=CCN(CC(=O)N1CCNC1=O)[C@H]1CCS(=O)(=O)C1 343063914 HRVNPKRUJXBAPX-JTQLQIEISA-N 301.368 -0.787 30 20 DBED CN(CC#N)C(=O)CNS(=O)(=O)c1c[nH]c2ncccc12 346291377 WIMBXJVXOBVTHK-UHFFFAOYSA-N 307.335 -0.177 30 20 DBED Cc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H](O)CN(C)C 347390802 RGPWHYCFVUQPQG-LBPRGKRZSA-N 304.350 -0.156 30 20 DBED CN(CC#N)S(=O)(=O)CCCS(=O)(=O)N(C)C1CCC1 349527202 RDDRWJLFHUPDCE-UHFFFAOYSA-N 323.440 -0.024 30 20 DBED CCOC(=O)[C@](C)(O)CNS(=O)(=O)c1cncc(C#N)c1 352188777 IOUKILGKOCPMNI-GFCCVEGCSA-N 313.335 -0.454 30 20 DBED N#CCNC(=O)CNC(=O)N1CCO[C@@H](COCC2CC2)C1 358295008 NYRCHIOVSXBRGA-GFCCVEGCSA-N 310.354 -0.537 30 20 DBED CC(C)(C#N)CNC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 359645097 FWAZAIWUPLXMKS-IQIPOGNMSA-N 305.334 -0.185 30 20 DBED C#CCN(C)S(=O)(=O)CCCS(=O)(=O)Nc1ccon1 491802691 GZWBWBMYBWGEJZ-UHFFFAOYSA-N 321.380 -0.299 30 20 DBED Cn1c(=O)c2cc(C(=O)N(CC#N)C3CC3)n(C)c2n(C)c1=O 521580179 CRRXLYZPMPPOAB-UHFFFAOYSA-N 315.333 -0.296 30 20 DBED N#CCNC(=O)CNC(=O)[C@]1(c2ccccc2)CCC(=O)NC1 563396278 GTXFEXZGJGKPHT-MRXNPFEDSA-N 314.345 -0.410 30 20 DBED CNS(=O)(=O)NC1CCN(C(=O)[C@@]2(C#N)C[C@@H]2C)CC1 579847054 SRAMBMURIATICM-JOYOIKCWSA-N 300.384 -0.419 30 20 DBED C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCC1(C#N)CC1 584817198 HHAMJKLHNHAGFO-SECBINFHSA-N 311.367 -0.493 30 20 DBED Cn1c(N2CC[C@@H]3NC(=O)CC[C@H]3C2)c(C#N)c(=O)n(C)c1=O 596457077 CYHPFERKTQADLL-ONGXEEELSA-N 317.349 -0.939 30 20 DBED CN(C)S(=O)(=O)NCCNC(=O)N1CC[C@@](F)(C#N)C1 596614201 OOVGYNDBKFLQHX-SNVBAGLBSA-N 307.351 -0.970 30 20 DBED CN1CCN(S(=O)(=O)Cc2ccc(C#N)cc2)[C@H](CO)C1 601468640 FDURUSSTHSYGQH-AWEZNQCLSA-N 309.391 -0.004 30 20 DBED C=CCN(C(=O)[C@@H]1COCCN1CC)[C@H]1CCS(=O)(=O)C1 636826606 MAAAZWUZFRYUMC-STQMWFEESA-N 316.423 -0.091 30 20 DBED C=CCn1c(-c2cc[nH]n2)nnc1N1CCO[C@@H](C(=O)NC)C1 669029746 MQOHYYWPPUQYTH-LLVKDONJSA-N 317.353 -0.195 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N[C@H](C)[C@@H]1CN(C)CCO1 685337387 KTVJIMKIPWQPTG-OLZOCXBDSA-N 313.398 -0.517 30 20 DBED C#CCCCS(=O)(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 710091269 UHCAIBVYYJLZMF-LLVKDONJSA-N 308.425 -0.257 30 20 DBED C=CCNC(=O)[C@H](C)OC(=O)C1CCC2(CC1)NC(=O)NC2=O 731909693 YGIUQYVEFUVEDG-YLTRJXTNSA-N 323.349 -0.011 30 20 DBED CN(C)S(=O)(=O)N1CCN(C(=O)C#Cc2ccccc2)CC1 747355423 PLLGVDBSNZIJCG-UHFFFAOYSA-N 321.402 -0.011 30 20 DBED N#Cc1cccnc1-n1cc(NC(=O)NOCC(N)=O)cn1 764747447 PSCXBZCQDOICGF-UHFFFAOYSA-N 301.266 -0.323 30 20 DBED C#C[C@@H](NC(=O)NCCS(=O)(=O)NC(C)C)[C@@H]1CCCO1 773278215 XYDRRLQQLMTKND-NEPJUHHUSA-N 317.411 -0.206 30 20 DBED C#CCCS(=O)(=O)NC(=O)[C@H]1CCCCN1S(C)(=O)=O 810786833 YXYYWJINFWHGFT-SNVBAGLBSA-N 322.408 -0.730 30 20 DBED CN(CCCNC(=O)[C@](C)(C#N)CC(=O)O)S(C)(=O)=O 820592109 ICLWBUIUTXORGK-NSHDSACASA-N 305.356 -0.611 30 20 DBED CC(C)C#CC(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 828053471 YPWRPQXLTRVNRS-AWEZNQCLSA-N 307.394 -0.305 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N[C@H](C)CN1CCCC1=O 875128302 SWNLHDINDFEKBA-OLZOCXBDSA-N 323.393 -0.342 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N1CC[C@@](C)(C(=O)NC)C1 875597618 LUJXMJRXLIGCID-MLGOLLRUSA-N 323.393 -0.484 30 20 DBED C#CCN1CCC[C@H](Nc2nc3c(c(O)nc(=O)n3C)n2C)C1 884612210 HFEKKNQLZQEFQS-JTQLQIEISA-N 316.365 -0.118 30 20 DBED C#CC1(O)CN(C(=O)c2ccc(N3NC(=O)CCC3=O)cc2)C1 890521916 ZFVAUBSFHCFFFG-UHFFFAOYSA-N 313.313 -0.335 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)NCC2CCC2)CC1 892046765 YPOMJCQSUAETTD-UHFFFAOYSA-N 314.411 -0.419 30 20 DBED CCOC(=O)[C@@H]1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)C1 896268318 AUFNVDQIKZLBEB-SECBINFHSA-N 306.322 -0.655 30 20 DBED CS(=O)(=O)N[C@@H]1CCN(C(=O)c2cccc(C#CCO)c2)C1 900743075 YEAQXMPFIXAKFS-CQSZACIVSA-N 322.386 -0.206 30 20 DBED C#CCN1CCN(C(=O)Cn2cccc(C(=O)OC)c2=O)CC1 932707588 HDYMBLFYOHBSLT-UHFFFAOYSA-N 317.345 -0.588 30 20 DBED CCN1C[C@H](C(=O)N[C@H]2CCN(C(=O)C#CC3CC3)C2)CC1=O 938092402 RAQOTWSXVDZGSM-KGLIPLIRSA-N 317.389 -0.015 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)c2csnn2)C1 944681125 JZNCZDIYMWUDIJ-IUCAKERBSA-N 309.351 -0.345 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CN2C(=O)CCC2=O)[C@H](C)C1 944810725 KCWBFAHDZMLDEI-CHWSQXEVSA-N 305.378 -0.015 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)CC(N)=O)C1 950257797 KJILRISUXXNNCK-UTUOFQBUSA-N 309.366 -0.440 30 20 DBED C[C@@H]1OCCO[C@@H]1C(=O)NC[C@H]1CCN1C(=O)C#CC1CC1 950757022 XCHMRLWEOUYRNS-LNSITVRQSA-N 306.362 -0.079 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@H]2CNC(=O)c2nnn(C)n2)cc1 951629494 NYNIQYBUSKCSPT-ZDUSSCGKSA-N 324.344 -0.164 30 20 DBED CN(C(=O)c1cc(C#N)c[nH]1)C1CN(C(=O)[C@@H]2COCCO2)C1 953990414 VPFGIFZFMDHEHQ-ZDUSSCGKSA-N 318.333 -0.415 30 20 DBED N#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cnc3[nH]cnc3c2)C1 958105614 KNOLPTLZAYNIEN-CMPLNLGQSA-N 300.322 -0.496 30 20 DBED C#CCN1C[C@H](CNC(=O)c2cn3nccc3nc2C)[C@@H](O)C1 958556153 QHRVUSAMKKVFNQ-JSGCOSHPSA-N 313.361 -0.307 30 20 DBED CN(C)C(=O)[C@@H]1CC[C@H](C(=O)NC2[C@@H]3CN(CC#N)C[C@@H]23)O1 961744309 MUBGLBXIDLREGN-KKOKHZNYSA-N 306.366 -0.808 30 20 DBED O=C(NC[C@H]1COCCN1C(=O)C#CC1CC1)[C@H]1CCOC1 964105316 QUBGBHSYYOLBGE-KBPBESRZSA-N 306.362 -0.220 30 20 DBED C#CCCN1CC[C@H](C)[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 966166007 IMOXGEUWNUVHGZ-RYUDHWBXSA-N 318.381 -0.773 30 20 DBED C=CCN1CC[C@@H](N[C@@H]2CCN(C(=O)c3cnnn3C)C2)C1=O 968553428 VKVDHEMISDYTSX-VXGBXAGGSA-N 318.381 -0.594 30 20 DBED C[C@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)[C@H]1CCCNC1=O)C2 969817068 HJLIMOJGQQVGNK-VOAKCMCISA-N 318.377 -0.126 30 20 DBED CN1CCO[C@@H](C(=O)N2CC[C@@]3(CN(CC#N)CCO3)C2)C1 972314332 CNANRKNAGKSTGN-UKRRQHHQSA-N 308.382 -0.856 30 20 DBED CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@@H](N(C)CC#N)C2)O1 972322626 BGTTZTYARFDHOG-FRRDWIJNSA-N 308.382 -0.322 30 20 DBED C=C(C)CCN1CCO[C@@]2(CCN(C(=O)Cn3ncnn3)C2)C1 972382400 YIESHFRBZSLQRC-HNNXBMFYSA-N 320.397 -0.057 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)[C@H]3C[C@@H](C)CC(=O)N3)C2)C1 972387680 VMJRITIYFIFEKA-CPUCHLNUSA-N 319.405 -0.162 30 20 DBED Cn1nncc1C(=O)N[C@H]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 973994672 KODUXRSJGGIDII-AOOOYVTPSA-N 313.321 -0.294 30 20 DBED C=CCCN1C[C@@H](NC(=O)CN2C(=O)CNC2=O)C(C)(C)C1 977575363 LXRDGSFQFBGJTN-LLVKDONJSA-N 308.382 -0.059 30 20 DBED C#CCN1C[C@@H]2C(CNC(=O)[C@@H]3CCCN(C(N)=O)C3)[C@H]2C1 978443423 XKPSCBDXGKXMHI-MRVWCRGKSA-N 304.394 -0.296 30 20 DBED Cn1nnc(CN2CCCN(C(=O)c3cc(C#N)c[nH]3)CC2)n1 980917757 YARMEHLWXRVJJF-UHFFFAOYSA-N 314.353 -0.242 30 20 DBED CN1CCN(CC(=O)N[C@@H]2CCC[C@H](NCC#N)C2)CC1=O 981182643 SNRMXXVYVCNTNZ-QWHCGFSZSA-N 307.398 -0.699 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCCN([C@@H]2CCNC2=O)CC1 981361495 PXZNAHBGADSSJA-CABCVRRESA-N 318.421 -0.493 30 20 DBED C[C@@H]1C[C@H](NCC#N)CN1C(=O)CN1C(=O)CC(C)(C)C1=O 988846560 WPECVJMHIHHBAX-MNOVXSKESA-N 306.366 -0.126 30 20 DBED N#Cc1cc(C(=O)N2CC(NC(=O)C[C@H]3COC(=O)C3)C2)c[nH]1 990832606 OKVOEPGTBLLMIS-SECBINFHSA-N 316.317 -0.220 30 20 DBED C=CCn1cc(C(=O)N2CC(NC(=O)C3CC(OC)C3)C2)nn1 994097647 IBRSMQDIRYNWGG-UHFFFAOYSA-N 319.365 -0.170 30 20 DBED C=CCN1CCC[C@H](NC(=O)c2c[nH]nc2S(N)(=O)=O)C1 1008488001 REPWGUFRZQNMAU-VIFPVBQESA-N 313.383 -0.563 30 20 DBED O=C(NCC1[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]12)[C@@H]1COCCO1 1008804402 AGSKFFRDGCXGFY-KKUMJFAQSA-N 318.373 -0.364 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCN(Cc3ncnn3C)C2)nn1 1015812645 ZLXZRYKDBCSWSG-LLVKDONJSA-N 316.369 -0.403 30 20 DBED C[C@H](C#N)C(=O)N1CCC2(C1)CN(C(=O)[C@H]1CN(C)CCO1)C2 1018897985 USYUHTHPLHCSMP-CHWSQXEVSA-N 320.393 -0.462 30 20 DBED O=C(NC[C@H]1CN(C(=O)C#CC2CC2)CCCO1)c1nc[nH]n1 1019644790 LHYYTAWNPRGTDT-LBPRGKRZSA-N 317.349 -0.435 30 20 DBED C[C@@H](C(=O)N[C@H]1CCN(C(=O)[C@H](C)C#N)[C@H]1C)N1CCOCC1 1020536950 IAXSOHJKCIIZGU-RFGFWPKPSA-N 322.409 -0.028 30 20 DBED C=C1CC(C)(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3COC(=O)N3)C2)C1 1023569099 VQHGHVPSVUOBAF-GMTAPVOTSA-N 323.349 -0.861 30 20 DBED C=CCCn1cc(C(=O)N2CCC[C@H](N(C)CC(N)=O)C2)nn1 1027611959 YTNHIZQWVNFGDC-LBPRGKRZSA-N 320.397 -0.124 30 20 DBED CC#CCN1CCC[C@H]1CNC(=O)[C@H]1CCN(C)S1(=O)=O 1028196587 OCTGAGYPAXFLBQ-QWHCGFSZSA-N 313.423 -0.376 30 20 DBED CN(C(=O)C1CC2(C1)CS(=O)(=O)C2)[C@@H]1CCN(CC#N)C1 1033197776 SDGCIQPVNVUFHV-GFCCVEGCSA-N 311.407 -0.133 30 20 DBED CC#CCN1CC[C@@H](N(C)C(=O)[C@H]2CCN(C)S2(=O)=O)C1 1033501721 JXWMZCIUQFWOAA-CHWSQXEVSA-N 313.423 -0.424 30 20 DBED C#CCCN1CC[C@H](N(C)C(=O)CN2C(=O)NC(C)(C)C2=O)C1 1033637798 RPQAICKWVAVIIB-LBPRGKRZSA-N 320.393 -0.127 30 20 DBED C=CCN1CCO[C@@H](CNC(=O)[C@H]2CN3CC4CC3(CO2)C4)C1 1035445232 BEOCZRPSZIGIHP-KRIMKBQASA-N 321.421 -0.147 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)c2c(O)nnc(C)c2C)C1 1035464852 AJYCRIPYJFGYCA-LBPRGKRZSA-N 304.350 -0.137 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H]2[C@H]3C[C@H]2N(CC(=O)NC2CC2)C3)c1 1037352929 GZCKPIWDVYTALS-ZBINZKHDSA-N 313.361 -0.033 30 20 DBED C=C(C)CN1C[C@H]2C[C@H]1[C@@H]2NC(=O)Cn1ccc(=O)n(C)c1=O 1037427208 ZSEHYVYHZXRTHZ-TYNCELHUSA-N 318.377 -0.688 30 20 DBED C=CCN1CC[C@@H](N2CC[C@@H]2CNC(=O)c2cnon2)C1=O 1038850884 WMKSLZBTUOWJKW-ZYHUDNBSSA-N 305.338 -0.339 30 20 DBED N#CCN1[C@H]2CCC[C@H]1CN(C(=O)CN1CC(=O)NC1=O)C2 1039946162 GCJNMIYCXLSWLC-QWRGUYRKSA-N 305.338 -0.873 30 20 DBED Cc1nc[nH]c1CC(=O)NC[C@]1(O)CCN(C(=O)[C@@H](C)C#N)C1 1040455317 XBEVKWJNOZYZLL-ZUZCIYMTSA-N 319.365 -0.500 30 20 DBED O=C(C[C@H]1CCOC1)NC[C@]1(O)CCN(C(=O)C#CC2CC2)C1 1040813710 BGHMGXPLSXRGCY-RHSMWYFYSA-N 320.389 -0.094 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@@]3(CCN(CC(N)=O)C3)C2)c1 1041178923 NTPORFNUMGELRF-OAHLLOKOSA-N 301.350 -0.090 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2cc(C)[nH]n2)C1 1041738986 UHZCDCBZXSLMDI-NSHDSACASA-N 322.365 -0.388 30 20 DBED C[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1NC(=O)[C@@H]1COC(=O)N1 1041892556 QECHKKNAPBFNEU-BBBLOLIVSA-N 316.321 -0.602 30 20 DBED Cn1cc(C(=O)N2CC[C@H]3CCN(CC#N)[C@H]3C2)ncc1=O 1042160054 KLEJIZGYKKZWHK-YPMHNXCESA-N 301.350 -0.160 30 20 DBED C=C(C)CN1CC[C@H]2CCN(C(=O)CN3CCNC(=O)C3)C[C@H]21 1042182203 DCQUTGFMSFFZHB-LSDHHAIUSA-N 320.437 -0.083 30 20 DBED Cn1cnc(C(=O)NCC2(O)CN(C(=O)C#CC(C)(C)C)C2)c1 1042547437 UMZYVOXFMGBGHE-UHFFFAOYSA-N 318.377 -0.227 30 20 DBED C=CCCCC(=O)N1CC(O)(CNC(=O)C[C@H]2COC(=O)C2)C1 1042554430 LJZPVWWQVQDEBG-GFCCVEGCSA-N 324.377 -0.015 30 20 DBED C=C(C)C[C@H](C)C(=O)N1CC(O)(CNC(=O)c2cnnn2C)C1 1042856592 NGDQEIXZZJYWKT-NSHDSACASA-N 321.381 -0.280 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(O)(CNC(=O)c2c[nH]cc2C)C1 1043111991 RZHMGBYFPJCYME-HNNXBMFYSA-N 321.377 -0.047 30 20 DBED C[C@@H]1CN(C(=O)Cc2ncc[nH]2)C[C@H]1N=c1cc[nH]c(C#N)n1 1043295861 TWKVZLCYDIQQHK-GHMZBOCLSA-N 311.349 -0.005 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)CN(C)C(C)C)C1 1043428117 KTYORPSYHFGIOZ-UHFFFAOYSA-N 313.398 -0.781 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)CCc2ccncc2)C1 1043798177 PFBOSIOEHQVZIV-LBPRGKRZSA-N 316.361 -0.137 30 20 DBED CN(C(=O)c1c2n(c(=O)n1C)CCCC2)C1CN(CC#N)C1 1043886662 RMSITIFUXXOVKZ-UHFFFAOYSA-N 303.366 -0.197 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)[C@@H](F)CC)C1 1044805053 BPXYZNVVSDXNIG-MNOVXSKESA-N 300.330 -0.538 30 20 DBED C[C@H]1CCN(CC(=O)N2CC(O)(CNC(=O)[C@H](C)C#N)C2)C1 1045554311 CACYRTLZIBWVQJ-NWDGAFQWSA-N 308.382 -0.823 30 20 DBED C#CCN1CC[C@H](N2CCN(C(=O)Cc3cncn3C)CC2)C1 1046075859 GWNLRNVHTKJJDM-HNNXBMFYSA-N 315.421 -0.186 30 20 DBED Cn1cc(C(=O)NC[C@H]2C[C@@H](N=c3cc[nH]c(C#N)n3)C2)nn1 1046350147 DJIKMGJMLYCSDP-AOOOYVTPSA-N 312.337 -0.481 30 20 DBED CN(C(=O)c1ccnc(C2CC2)n1)[C@H]1CN(CC#N)C[C@@H]1O 1047552680 QYRPAPCIHSLIFK-STQMWFEESA-N 301.350 -0.005 30 20 DBED C=CCOCC(=O)N1CC[C@@H]([C@H](C)NC(=O)Cn2nccn2)C1 1050297622 NXNJQJCOGDRZMA-QWHCGFSZSA-N 321.381 -0.166 30 20 DBED N#CCN1CCOC[C@@H]1CNC(=O)c1cnc2[nH]ncc2c1 1050976302 SKNMLEKHDKOZJV-LBPRGKRZSA-N 300.322 -0.088 30 20 DBED C#CCCN1CCOC[C@H]1CNC(=O)[C@@H]1CCCC(=O)N1C 1051228980 STHRILGKJCYSDZ-KGLIPLIRSA-N 307.394 -0.162 30 20 DBED C=CCCN1CCN([C@H]2CCN(C(=O)Cn3cnnn3)C2)CC1 1051977756 FOJBPIOSTLAYRM-AWEZNQCLSA-N 319.413 -0.532 30 20 DBED COc1nc(C)ncc1C(=O)N1CCOC2(CN(CC#N)C2)C1 1053281753 VHRDAKSWDKYJHH-UHFFFAOYSA-N 317.349 -0.156 30 20 DBED C#CCN1CC2(CC[C@H](CNC(=O)[C@H]3CCC(=O)N3C)O2)C1 1053649328 JTSAANGGZCMSKX-CHWSQXEVSA-N 305.378 -0.410 30 20 DBED C=CCN1CC2(C[C@@H](NC(=O)c3nnc(O)nc3O)CO2)C1 1053858403 FYHSGXWUDPIUOL-MRVPVSSYSA-N 307.310 -0.958 30 20 DBED C=C(C)CCN1CC2(C[C@H](NC(=O)c3nnn(C)n3)CO2)C1 1053897206 MYUJZRPCCZCGFS-NSHDSACASA-N 306.370 -0.251 30 20 DBED C[C@@H](C#N)C(=O)NC1CCN(CCNC(=O)c2cn[nH]c2)CC1 1055530961 ZBSCJVWVGBIASU-NSHDSACASA-N 318.381 -0.120 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@](CO)(NC(=O)c2cccnn2)C1 1056076344 HFHPZOQLYXUQOB-IAQYHMDHSA-N 317.349 -0.280 30 20 DBED N#Cc1cnccc1N1C[C@H]2C(NC(=O)[C@@H]3CCNC3=O)[C@@H]2C1 1056354859 AICYXGXZLIOSAT-IJLUTSLNSA-N 311.345 -0.360 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)[C@H](C)n1cncn1 1057171338 XOERTQAMYKBZDJ-LBPRGKRZSA-N 309.370 -0.258 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCN(CCO)C(=O)[C@@H](C)COC 1057188917 FXAQUEUHRJCFES-SWLSCSKDSA-N 316.398 -0.467 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)CCN(C)C 1057195041 VSFCKPVRZSXMFC-UHFFFAOYSA-N 301.387 -0.922 30 20 DBED CO[C@@H](C)C(=O)NCCN(CCO)C(=O)c1c[nH]c(C#N)c1 1057392071 YTABWUZCTRGQPT-JTQLQIEISA-N 308.338 -0.528 30 20 DBED C=CC(C)(C)C(=O)N(CCO)CCNC(=O)c1nnn(C)c1C 1058302401 RWDJYDBWSPFGTO-UHFFFAOYSA-N 323.397 -0.114 30 20 DBED Cn1oc(C(=O)N[C@@H]2CCN(c3cnc(C#N)cn3)C2)cc1=O 1058336110 NMYFUWFCUXZZAV-SECBINFHSA-N 314.305 -0.351 30 20 DBED C=CCOCC(=O)N1CC[C@@H](CCNC(=O)[C@@H]2CCC(=O)N2)C1 1059338163 ZAWQJVFWWAUOCJ-OLZOCXBDSA-N 323.393 -0.178 30 20 DBED CN1C[C@H](C(=O)N[C@H]2C[C@H](Nc3cncc(C#N)n3)C2)NC1=O 1059366316 JYVRTNZNNKBAHF-FXPVBKGRSA-N 315.337 -0.569 30 20 DBED N#Cc1cncc(N[C@H]2C[C@H](NC(=O)c3c[nH]c(=O)cn3)C2)n1 1059388526 WFYLVCBJZBBSQY-KYZUINATSA-N 311.305 -0.196 30 20 DBED N#Cc1nccc(N2CCC[C@@H]2CNC(=O)[C@H]2COCCO2)n1 1061297280 CTRYHBNMFAUTKH-VXGBXAGGSA-N 317.349 -0.151 30 20 DBED C=CCOCC(=O)N1CCCC[C@@H]1CNC(=O)[C@@H]1CNC(=O)N1 1062070091 WZDHGXOLOSJQHI-NEPJUHHUSA-N 324.381 -0.632 30 20 DBED CN(C(=O)[C@H]1COC(=O)N1)[C@@H]1CCN(c2ccnc(C#N)n2)C1 1062928401 IHMLGSXRDOOHMO-NXEZZACHSA-N 316.321 -0.506 30 20 DBED CN1C[C@H](C(=O)NC2(CNC(=O)C#CC3CC3)CCC2)NC1=O 1062978998 HKINTZQCBWBCPW-GFCCVEGCSA-N 318.377 -0.422 30 20 DBED C=CCCC(=O)N1CCO[C@H](CNC(=O)CNC(=O)NC)C1 1064957083 AXUVOYRCURYNTF-LLVKDONJSA-N 312.370 -0.775 30 20 DBED C=CCOCC(=O)N1CCO[C@@H](CNC(=O)[C@@H]2CCCO2)C1 1064977568 WBSBASSUJRPGCW-STQMWFEESA-N 312.366 -0.288 30 20 DBED O=C(Cn1nccn1)NC[C@@H]1CN(C(=O)C#CC2CC2)CCO1 1065136513 DMDATTNDJOEDLM-CYBMUJFWSA-N 317.349 -0.965 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2nonc2C)CCO1 1065310186 ZNDRCORYCYOZCN-NSHDSACASA-N 324.337 -0.462 30 20 DBED C=CC(C)(C)C(=O)NC[C@@H]1CN(C(=O)c2cnn[nH]2)CCO1 1065328721 XNMRWCJHZNZISS-SNVBAGLBSA-N 307.354 -0.026 30 20 DBED N#Cc1cncc(N2CC[C@@H]3[C@H]2CCCN3C(=O)CC(N)=O)n1 1066126319 FFDWPMLDIAILRS-VXGBXAGGSA-N 314.349 -0.207 30 20 DBED N#Cc1nccnc1N1CCOC[C@@H]1CNC(=O)c1nc[nH]n1 1066494325 GEROSOISHUDONH-VIFPVBQESA-N 314.309 -0.898 30 20 DBED C[C@@H]1CN(C(=O)Cc2cc[nH]n2)C[C@@H]1N=c1cc[nH]c(C#N)n1 1067061740 JCHUOFFHGQPAGQ-PWSUYJOCSA-N 311.349 -0.005 30 20 DBED C[C@@H](Nc1ncc(C#N)cc1F)[C@@H]1CN(C(=O)C(N)=O)CCO1 1068243170 FYMWATIEWJEUQZ-KCJUWKMLSA-N 321.312 -0.395 30 20 DBED CN1CCOC[C@H]1C(=O)NCc1cnn2c1CN(CC#N)CC2 1069858155 FZSRNSQOZLVYFW-AWEZNQCLSA-N 318.381 -0.831 30 20 DBED Cn1cncc1[C@@H]1CN(C(=O)c2ccnnc2)C[C@H]1NCC#N 1070693721 YXAFSAZTCLZIHQ-CHWSQXEVSA-N 311.349 -0.069 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CCCN(C(=O)CCNC(N)=O)C1 1070714441 PQKYRFHTMYIJTK-GFCCVEGCSA-N 308.382 -0.189 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)[C@@H]4CCNC(=O)C4)C[C@@]3(C1)O2 1070785656 YYQVGTZKFBNESB-VMUDFCTBSA-N 317.389 -0.553 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)Cc4nnc(C)o4)C[C@@]3(C1)O2 1070796718 MCGCRUFASBTPLE-XJKCOSOUSA-N 316.361 -0.145 30 20 DBED C=CCN1C[C@H]2C[C@H]3CN(C(=O)C(C)(C)C(N)=O)C[C@@]3(C1)O2 1070812893 BOXVVUZXRCCOHY-HWWQOWPSSA-N 307.394 -0.014 30 20 DBED CC#CCN1CCC2(C1)CN(C(=O)Cn1nc(C)n(C)c1=O)C2 1073158091 LNUPCINRYOHEJO-UHFFFAOYSA-N 317.393 -0.552 30 20 DBED C=CCOCC(=O)NC1(C)CCN(C(=O)[C@H]2CNC(=O)N2)CC1 1073223987 KLZDLZJWBRZYCC-LLVKDONJSA-N 324.381 -0.632 30 20 DBED CC(C)C#CC(=O)N[C@H]1CCN(C(=O)CNC(N)=O)[C@H](C)C1 1074972540 GUICKYBWXUWSIK-NEPJUHHUSA-N 308.382 -0.190 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)COCCC 1076217959 PPTKQIVDCURINV-LBPRGKRZSA-N 311.382 -0.437 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)[C@@H](OC)C1CC1 1076329877 GCENRHMKHUOLGO-NHYWBVRUSA-N 323.393 -0.438 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)C[C@H]2C(=O)Nc3ccccc32)C1 1078267057 RAVQGDIXJQNZIM-BPLDGKMQSA-N 313.357 -0.093 30 20 DBED C=CCn1cc(C(=O)N2CC(N(CC)C(=O)CC(N)=O)C2)nn1 1079531849 CRAFXHRWLZYLDY-UHFFFAOYSA-N 320.353 -0.988 30 20 DBED C[C@H](C#N)C(=O)NC1(CO)CCN(C(=O)c2ccon2)CC1 1080979933 FEKMTFBWTWNJJZ-SNVBAGLBSA-N 306.322 -0.082 30 20 DBED CCOCC(=O)NC[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1O 1081219668 ASPZJFWANZLKTP-MFKMUULPSA-N 320.349 -0.528 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)c2cnsn2)C[C@@H]1O 1081462793 FNBMIPDEFXOJDL-PWSUYJOCSA-N 322.390 -0.253 30 20 DBED C#CCCCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cnon2)C1 1081684686 JFIZTTBCUQQFPN-WCQYABFASA-N 320.349 -0.188 30 20 DBED C=CCCCC(=O)NC[C@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1O 1081705812 VLCDHUQLWQUGNW-NWDGAFQWSA-N 323.393 -0.456 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H]1CCCCN1C(=O)CNC(C)=O 1081843682 HRIXPQBZRDDHMA-OCCSQVGLSA-N 323.393 -0.342 30 20 DBED C=C(Cl)CN1C[C@@H](NC(=O)[C@H]2CNC(=O)N2)[C@H](OC)C1 1082081705 RYTSXGHVVBBZMJ-OPRDCNLKSA-N 302.762 -0.764 30 20 DBED C#CCN1C[C@@H](NC(=O)C(=O)N2CCC(C)CC2)[C@H](OC)C1 1082209258 AVNUFEZGJJYTOL-ZIAGYGMSSA-N 307.394 -0.307 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CN(C)C[C@@H](C)O1 1083119498 WZVZXGWZVDNYLL-QKPAOTATSA-N 321.421 -0.360 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)c2cn(CCOC)nc2C)C1 1083458575 VIDBKVNCYZDVBL-KGLIPLIRSA-N 308.382 -0.201 30 20 DBED N#CCN1CC[C@@H]2CCN(C(=O)[C@H]3CCS(=O)(=O)C3)C[C@@H]21 1084984050 ZTVCAUZWFQANBM-AGIUHOORSA-N 311.407 -0.133 30 20 DBED N#Cc1ccc(C(=O)NC[C@H]2C[C@H](N[C@@H]3CCNC3=O)C2)[nH]1 1086344638 XYZUSNHECXVTTE-IRUJWGPZSA-N 301.350 -0.127 30 20 DBED C=CCN[C@@H]1CN(C(=O)[C@H]2COCCO2)C[C@H]1c1cnn(C)c1 1086968866 QCMWRIMJPAQWGW-RRFJBIMHSA-N 320.393 -0.095 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@@H]2COC(=O)N2)C[C@H]1c1cnn(C)c1 1086977540 ZVVFWIWGKONEBM-XQQFMLRXSA-N 317.349 -0.954 30 20 DBED N#CCN1C[C@H]2CC[C@H]1[C@@H]1CN(C(=O)Cn3cncn3)C[C@@H]21 1087410897 QNMZMWXYLKXXSU-RQJABVFESA-N 300.366 -0.030 30 20 DBED N#CCN1CC[C@@H]2CN(C(=O)[C@@H]3CCS(=O)(=O)C3)C[C@@H]2C1 1088032665 YKOCFEITGJEIGB-UPJWGTAASA-N 311.407 -0.275 30 20 DBED CCOCCCC(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1O 1090395311 KXPIOCNHMCJMSS-CHWSQXEVSA-N 319.365 -0.169 30 20 DBED N#CCN1CC[C@H](NC(=O)c2cnn3cccnc23)[C@H](O)C1 1090478862 IGJWIUHCUWCYHY-NWDGAFQWSA-N 300.322 -0.582 30 20 DBED C=CCCn1cc(C(=O)N[C@H]2CCN(CCF)C[C@H]2O)nn1 1090637893 MKOWKYYXWWBZRH-WCQYABFASA-N 311.361 -0.011 30 20 DBED C[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1NC(=O)C1(C(N)=O)CC1 1090827884 IOSXXQSXJGOXIJ-MWLCHTKSSA-N 314.349 -0.445 30 20 DBED CC(=O)N(C)CC(=O)N[C@H]1CCN(c2nccnc2C#N)[C@@H]1C 1091933758 SXGJIRZTZRFPPF-PWSUYJOCSA-N 316.365 -0.090 30 20 DBED C=CCCN1CC(OC2CCN(C(=O)[C@H]3CNC(=O)N3)CC2)C1 1093565844 DSDZOLLUOPUWTM-CQSZACIVSA-N 322.409 -0.064 30 20 DBED N#Cc1cnc(NCCNC(=O)CNC(=O)c2ccoc2)cn1 1094183021 XAFPTXSQRAWHIS-UHFFFAOYSA-N 314.305 -0.101 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)Cc3cc(C)[nH]n3)CC2=O)C1 1094719871 GZCCJYCJEAVEDO-ZDUSSCGKSA-N 317.393 -0.152 30 20 DBED N#CCN1CC(N2C[C@@H](NC(=O)C3=CCOCC3)CC2=O)C1 1094731821 RISDZJBODBBHNN-LBPRGKRZSA-N 304.350 -0.742 30 20 DBED N#Cc1cnc(NCCCNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)cn1 1094781076 PXWAZNOHTNHRPO-WDEREUQCSA-N 318.337 -0.701 30 20 DBED C=CCCN1CC(N2C[C@@H](NC(=O)Cn3ccnc3)CC2=O)C1 1094822992 PVWBZYFZWJOITQ-ZDUSSCGKSA-N 317.393 -0.140 30 20 DBED CCC(=O)NCC(=O)N1CC[C@@H](N=c2cc[nH]c(C#N)n2)C1 1095025769 XAZYPENBXXDQJQ-SNVBAGLBSA-N 302.338 -0.691 30 20 DBED CCNC(=O)CC(=O)N[C@H]1C[C@H](Nc2nccnc2C#N)C1 1097023100 GIEJLYAUFQXPQB-MGCOHNPYSA-N 302.338 -0.066 30 20 DBED N#Cc1ccc(N2CCC[C@H](CNC(=O)CNC(N)=O)C2)nn1 1097286651 OKRDOBRWCFNNKC-SNVBAGLBSA-N 317.353 -0.651 30 20 DBED C[C@@H](CNC(=O)C1CC(=O)NC(=O)C1)Nc1cncc(C#N)n1 1097937543 YWZZBOOMQMFXAX-QMMMGPOBSA-N 316.321 -0.682 30 20 DBED C[C@H](CNC(=O)[C@@H]1CCCNC1=O)Nc1cncc(C#N)n1 1098121186 VVMCAUSDQOXYER-MWLCHTKSSA-N 302.338 -0.209 30 20 DBED C#CCN(CCO)C1CCN(C(=O)[C@H](C)OCCOC)CC1 1098491665 NDOBFKCHBNTDSU-AWEZNQCLSA-N 312.410 -0.044 30 20 DBED C#CCNCc1cn([C@@H]2CCN(C(=O)c3cnccn3)C2)nn1 1098600452 BCWIEDLGXMWFGO-CYBMUJFWSA-N 311.349 -0.122 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@@H](n2cc(CNCCO)nn2)C1 1098673971 WTZCSACRVRRICC-GXTWGEPZSA-N 321.381 -0.828 30 20 DBED C#CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cn(C)c(=O)nc2O)C1 1099159036 QYPSQAJNUUQNPN-ZBEGNZNMSA-N 316.361 -0.297 30 20 DBED C[C@@H](CCNC(=O)[C@@H]1CNC(=O)N1)Nc1ccc(C#N)nc1 1099683295 ZKNFVTWRNMMYJL-CABZTGNLSA-N 302.338 -0.059 30 20 DBED CCC(=CC(=O)N[C@H]1CCN(CC(=O)NCC#N)C[C@@H]1O)CC 1099780646 KPELSBGXVJVMCF-KBPBESRZSA-N 322.409 -0.076 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CCc2ccn(C)n2)[C@@H](O)C1 1099860916 JZDOBYJIIWDABU-CABCVRRESA-N 304.394 -0.073 30 20 DBED CC#CCN1CC[C@H](NC(=O)CCc2nc(C)no2)[C@H](O)C1 1099941561 CTDZGEINHGGFKX-QWHCGFSZSA-N 306.366 -0.115 30 20 DBED C=C/C(C)=C/CC(=O)N[C@@H]1CCN(CC(=O)NCC#N)C[C@H]1O 1099955695 YAECDGAVJDYHQF-AQIXGVPMSA-N 320.393 -0.300 30 20 DBED C=CCCCC(=O)N[C@@H]1CCN(CCN2CCNC2=O)C[C@@H]1O 1099976666 PVJXIEMLYOXTCL-KGLIPLIRSA-N 324.425 -0.081 30 20 DBED CC#CCN1CC[C@H](NC(=O)CCc2cncn2C)[C@@H](O)C1 1100094938 VHQHLNBIKOXOIX-GJZGRUSLSA-N 304.394 -0.073 30 20 DBED CCN1C[C@@H](C(=O)NCCN(C)c2cnc(C#N)cn2)CC1=O 1100383790 NLVVTDZKTWMBFL-NSHDSACASA-N 316.365 -0.231 30 20 DBED COCC#CCNC1CC(CNC(=O)[C@@H](C)S(C)(=O)=O)C1 1100450820 LMTRLDNFQOXATF-PNESKVBLSA-N 316.423 -0.446 30 20 DBED C=CCCCNC1CC(CNC(=O)c2cn(CC(N)=O)nn2)C1 1101033070 ADIDVZJAZSOFRS-UHFFFAOYSA-N 320.397 -0.172 30 20 DBED CCCN(CCNC(=O)c1nnn(C)n1)c1nccnc1C#N 1101216181 ZFSUPJIYODIYAX-UHFFFAOYSA-N 315.341 -0.482 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)CCCCNC(N)=O 1101849083 VCMPNWVIDDJNEK-UHFFFAOYSA-N 319.369 -0.521 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H]1CN(CC(=O)NCC)C[C@H]1C 1101964532 QRFXRPRAPRNQQC-MGPQQGTHSA-N 309.410 -0.155 30 20 DBED CN(C(=O)CS(C)(=O)=O)[C@H]1CCN(c2cncc(C#N)n2)C1 1102683934 NGTVPSLEMCXMOI-NSHDSACASA-N 323.378 -0.570 30 20 DBED CN(C(=O)C1(C(N)=O)CC1)[C@H]1CCN(c2nccnc2C#N)C1 1102755598 CHJAWZOLHVUJFJ-JTQLQIEISA-N 314.349 -0.349 30 20 DBED CC[C@H](CNC(=O)CCn1cnnn1)N=c1cc[nH]cc1C#N 1103173747 PLFDKPFMTYOLSH-GFCCVEGCSA-N 314.353 -0.241 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H](C)CN=c1cc[nH]c(C#N)n1 1104089397 HGHUOAHUAVEIAP-RYUDHWBXSA-N 301.350 -0.027 30 20 DBED CCOCC(=O)NC[C@@H]1CN(c2cncc(C#N)n2)CCO1 1104280892 WUAYUJAXUIXUCN-GFCCVEGCSA-N 305.338 -0.294 30 20 DBED C=CCNCc1cn(C2CN(C(=O)c3ccc(O)nn3)C2)nn1 1105146363 BMZJVXPIFXOLRI-UHFFFAOYSA-N 315.337 -0.254 30 20 DBED CC(=O)N1CC(C(=O)N(C)CCN(C)c2nccnc2C#N)C1 1105381984 TZUNRQNSVBGNOD-UHFFFAOYSA-N 316.365 -0.279 30 20 DBED CC(C)C#CC(=O)N1CCC(OC2CN(CC(N)=O)C2)CC1 1105707044 KLJIPZBHFUTTKE-UHFFFAOYSA-N 307.394 -0.177 30 20 DBED CCc1nc(C#N)cc(NC[C@@H](O)CNC(=O)[C@@H]2CCOC2)n1 1105738696 YPBXGQTZBLWCAJ-ZYHUDNBSSA-N 319.365 -0.164 30 20 DBED Cc1cc(=NC[C@@H](O)CNC(=O)Cc2cc[nH]n2)c(C#N)c[nH]1 1105762477 QGTNDHRNAPEGRS-CYBMUJFWSA-N 314.349 -0.462 30 20 DBED N#Cc1nc(=NC[C@@H](O)CNC(=O)c2ccsn2)cc[nH]1 1106009705 FSBNKOJDIYNVQZ-MRVPVSSYSA-N 304.335 -0.571 30 20 DBED N#Cc1cnc(NC[C@H](O)CNC(=O)c2cnn[nH]2)c(Cl)c1 1106172257 XDJUWNSTUDIRAR-QMMMGPOBSA-N 321.728 -0.072 30 20 DBED CCN(CCNc1ccc(C#N)nn1)C(=O)[C@@H]1CCC(=O)N1 1106808811 SHGKACRVFFMMSW-NSHDSACASA-N 302.338 -0.113 30 20 DBED CCC(=O)NCC(=O)NC/C=C/CNc1cncc(C#N)n1 1107078865 OXPULZRQYXXQLH-ONEGZZNKSA-N 302.338 -0.041 30 20 DBED C=C(C)CN1CC(n2cc(CNC(=O)C3(C(N)=O)CC3)nn2)C1 1107202473 HOKPAQKMPIZPMQ-UHFFFAOYSA-N 318.381 -0.407 30 20 DBED C[C@H](CN=c1cc[nH]cc1C#N)NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 1108105555 MCJQEOJSKDNLFX-JIMOISOXSA-N 317.349 -0.675 30 20 DBED CCC(=O)N1CC[C@H](C(=O)NC[C@@]2(C)CN(CC#N)CCO2)C1 1108328005 YRKKOVDOLFVIHO-BBRMVZONSA-N 322.409 -0.024 30 20 DBED C[C@@H](CN(C)c1cnc(C#N)cn1)NC(=O)Cc1nc[nH]n1 1109081248 PCDAMEASCQAIEI-VIFPVBQESA-N 300.326 -0.350 30 20 DBED CO[C@H](C)CC(=O)NC[C@]1(O)CCN(c2cnc(C#N)cn2)C1 1111045464 LLXPPMIERVDVFF-IAQYHMDHSA-N 319.365 -0.169 30 20 DBED N#Cc1ccc(NCCN(CCO)C(=O)c2cnn[nH]2)cn1 1111585824 PDSDSEGJRAEKJB-UHFFFAOYSA-N 301.310 -0.382 30 20 DBED C#CCNC(=O)CC(=O)N1CCN(CC(=O)N[C@@H](C)CC)CC1 1112773945 CIUUSTJZLYUBKK-ZDUSSCGKSA-N 322.409 -0.815 30 20 DBED C=CCC[C@H](C)N1CCN(C(=O)Cn2cnc(C(N)=O)n2)CC1 1112865250 YYDGOZHJHVFTOX-LBPRGKRZSA-N 320.397 -0.124 30 20 DBED COc1cccnc1C(=O)N1CCN(CC(=O)NCC#N)CC1 1113580024 AAWHWFCWJNSICB-UHFFFAOYSA-N 317.349 -0.512 30 20 DBED C[C@H](CNC(=O)[C@]1(C)CCNC1=O)N(C)c1nccnc1C#N 1113872858 YLJHPJQPYHOQAI-MEBBXXQBSA-N 316.365 -0.185 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)C3=CCOCC3)[C@@H]2C1 1114163163 BPZDARBQJCUZGK-CHWSQXEVSA-N 305.378 -0.318 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)c3cc[nH]c3CC)[C@@H]2C1 1114215008 OEZWHAXVYFETGX-CHWSQXEVSA-N 314.389 -0.014 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H]1[C@@H]2CN(Cc3cnnn3C)C[C@@H]21 1114270418 FDZYYGAAKCJUBU-SCUASFONSA-N 303.366 -0.600 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H]1[C@@H]2CN(Cc3n[nH]c(C)n3)C[C@@H]21 1114270619 IRDQDOVACNZPTG-WUWHUORYSA-N 303.366 -0.302 30 20 DBED Cc1cc(N2C[C@H]3C(CNC(=O)CC(N)=O)[C@@H]3C2)c(C#N)cn1 1114546932 MSBHOCSFQXWXAW-STQMWFEESA-N 313.361 -0.065 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)[C@@H]3CCNC(=O)CC3)[C@H]2C1 1114619146 QYIXNUBRGZZXMQ-TTZDDIAXSA-N 319.405 -0.401 30 20 DBED C#CCCN1C[C@@H]2C(NC(=O)[C@@H](NC(=O)COC)C(C)C)[C@H]2C1 1114939519 JMXNHCGCVUEHMG-YDHLFZDLSA-N 321.421 -0.157 30 20 DBED C=CCn1cc(C(=O)N[C@H]2[C@@H]3CN(C[C@@H](O)COC)C[C@@H]32)nn1 1114942595 NRFOEHQUANLXNP-NMKXLXIOSA-N 321.381 -0.869 30 20 DBED Cc1nccc(C(=O)NC2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]23)n1 1115248472 YDBANDXMFCXDLP-GHMZBOCLSA-N 314.349 -0.915 30 20 DBED C[C@H](CN(C)C(=O)Cn1cnnn1)Nc1ncccc1C#N 1115602331 JAFLSDBKPSJEAI-SNVBAGLBSA-N 300.326 -0.101 30 20 DBED Cc1nnc(CNC(=O)C(=O)N2CCC(CC#N)CC2)n1C 1117141312 SKNQINFMBDJNKB-UHFFFAOYSA-N 304.354 -0.108 30 20 DBED C[C@@H](CS(C)(=O)=O)NC(=O)C(=O)N1CCC(C#N)CC1 1117380044 OUWPEVQYKYLKDZ-VIFPVBQESA-N 301.368 -0.702 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCC[C@H]1CN1CCCC1 1117436592 MTXYSJCPEAAFBC-AWEZNQCLSA-N 307.394 -0.161 30 20 DBED C#CCn1cc(CNC(=O)[C@H](CCSC)NC(N)=O)cn1 1118912908 GQTMOOCHQSXLEQ-NSHDSACASA-N 309.395 -0.078 30 20 DBED Cc1nnsc1C(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1 1121055354 LRQMSIOMOQJLEW-QMMMGPOBSA-N 319.350 -0.867 30 20 DBED CCOCCCC(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1 1121229448 XZRGNCPEDBZSRI-LLVKDONJSA-N 307.354 -0.524 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)CN2CCOCC2)cn1 1121347220 XWKKUSDKRSRWIP-CQSZACIVSA-N 319.365 -0.826 30 20 DBED Cc1cc(C#N)nc(N[C@@H](CO)CNC(=O)Cc2cc[nH]n2)n1 1121398657 IWNZEEQQHXCSQA-GFCCVEGCSA-N 315.337 -0.489 30 20 DBED CCCN(C)CC(=O)NC[C@@H](CO)N=c1cc[nH]cc1C#N 1121887485 GEZHFUUBOBBROA-ZDUSSCGKSA-N 305.382 -0.394 30 20 DBED Cc1ncccc1C(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1 1121943217 JTYHDKQBJUVMRH-NSHDSACASA-N 312.333 -0.324 30 20 DBED Cc1nc(O)[nH]c1C(=O)NC[C@H](CO)N=c1cc[nH]cc1C#N 1122212793 DNMWXTXLTZWFDC-SNVBAGLBSA-N 316.321 -0.685 30 20 DBED N#Cc1cnc(N[C@H](CO)CNC(=O)C2(F)CCOCC2)cn1 1122748809 YYOCFRKZPDASJA-NSHDSACASA-N 323.328 -0.244 30 20 DBED CN1CC[C@H](C(=O)N(C)C[C@H](O)CNc2ccc(C#N)nn2)C1 1124351732 DQDDTSLPNHJDQD-WCQYABFASA-N 318.381 -0.469 30 20 DBED CCOCC(=O)N(C)C[C@H](O)CN(C)c1nccnc1C#N 1124949774 BJGNSSGJWRUYGM-NSHDSACASA-N 307.354 -0.360 30 20 DBED C=CCOCC(=O)N(C)C[C@H](O)CN(C)c1cnc(C#N)cn1 1124987990 FOIRLKYMLCUMCZ-CYBMUJFWSA-N 319.365 -0.194 30 20 DBED COCCN(CCNC(=O)[C@@H](C)C#N)c1nccn2nnnc12 1126261593 QOFGYOGWQMTYIM-JTQLQIEISA-N 318.341 -0.752 30 20 DBED C=CCOCC(=O)N[C@@H]1CCc2nnc(CNCCO)n2CC1 1127958600 HKVILARAOHGOCX-GFCCVEGCSA-N 323.397 -0.616 30 20 DBED C=C(C)CCNCc1nnc2n1CC[C@@H](NC(=O)C(N)=O)CC2 1128032830 MLSKTIQZNMFXFI-NSHDSACASA-N 320.397 -0.360 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1ccc2c(c1)nnn2C 1130274801 DZWAICANJIIDGN-UHFFFAOYSA-N 316.365 -0.410 30 20 DBED Cc1nc2c([nH]1)C[C@@H](C(=O)NCCNCC(=O)NCC#N)CC2 1130490352 BMNRMMJIHZPYKJ-NSHDSACASA-N 318.381 -0.831 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1cc(CC)nnc1C 1131801312 ASAOOEOVNIGDMM-UHFFFAOYSA-N 305.382 -0.031 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)c2cnon2)CC[C@H]1C 1132368483 NWZGWEKVKGDAJL-MNOVXSKESA-N 307.354 -0.046 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)CS(=O)(=O)NC)CC[C@H]1C 1133334382 WSMFHRTVKGSIOX-CHWSQXEVSA-N 315.439 -0.367 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)CC(=O)NCC 1134143867 TVJSIHXVYAROLK-NWDGAFQWSA-N 310.398 -0.865 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)Cc1n[nH]c(C)n1 1134355339 FICIQHJMHUGSLB-QWRGUYRKSA-N 320.397 -0.722 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CC(=O)N(CCC)C1 1134502764 GLLQHIZVDXIKFD-CHWSQXEVSA-N 324.425 -0.359 30 20 DBED C=C(C)CN(CC)C(=O)CN[C@@H](C)C[C@@H](C)NC(=O)C(N)=O 1135341092 YDZGCJFMCJUNIB-NWDGAFQWSA-N 312.414 -0.231 30 20 DBED C=CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)C(=O)NCC1CC1 1135785175 RUEAQRFLYLJLRL-VXGBXAGGSA-N 324.425 -0.312 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)CN1CCCC1 1146341399 XPESJDWAIUOIJK-KGLIPLIRSA-N 308.426 -0.296 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1cnn2c1CCCC2 1146783007 GPUASQPBLWXWKD-UHFFFAOYSA-N 304.354 -0.821 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)C[C@H](C)n1cccn1 1147097061 QOBMVGBOPUNTEA-STQMWFEESA-N 305.382 -0.322 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H]1CN(CCC=C)CCCO1 1149600109 OKLGHXAGGXOHNA-CQSZACIVSA-N 307.394 -0.091 30 20 DBED CC#CCN(CC)[C@H](C)CNC(=O)[C@@H](CCC(N)=O)NC(C)=O 1155857924 ZGVUNHBGMADWLY-TZMCWYRMSA-N 324.425 -0.394 30 20 DBED CC#CCN1CCC(CNC(=O)Cn2cnnn2)(COC)CC1 1162096483 LQEFMTNYPBGERJ-UHFFFAOYSA-N 320.397 -0.459 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)NCCCNC(=O)c1cnco1 1163542407 HPQRBBGIUZPDPE-JTQLQIEISA-N 323.353 -0.216 30 20 DBED N#CCNC(=O)CNCCCNC(=O)[C@@H]1CCCc2nc[nH]c21 1166407685 BFHNGYFQVJEUTL-LLVKDONJSA-N 318.381 -0.435 30 20 DBED COc1ccnc(O)c1C(=O)NCCCNCC(=O)NCC#N 1171321172 GENRBSIREHBJEG-UHFFFAOYSA-N 321.337 -0.855 30 20 DBED C#CCNC(=O)CN1CCO[C@H]2CCN(C(=O)C3CC3)C[C@H]21 1176881145 BPPLWRIURLODDC-KGLIPLIRSA-N 305.378 -0.553 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H]2OCCN(CCC)[C@@H]2C1 1176988432 JCYNPDWRSGLQMS-KGLIPLIRSA-N 307.394 -0.162 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](N[C@@H](C)C(=O)NCC=C)C1 1182522976 SOJKROQJIAYDIC-UONOGXRCSA-N 307.394 -0.093 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H](NCC(=O)NCC#N)C1 1182669779 AQCXHHSZCZGJNW-MCIONIFRSA-N 320.393 -0.202 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](N(C)[C@@H]2CCN(C)C2=O)C1 1190115265 YNCPCUKQKMAFPR-ZIAGYGMSSA-N 307.394 -0.210 30 20 DBED C#CCCN(C)[C@H]1CCN(C(=O)CCS(=O)(=O)NC)C1 1190135223 CJYFFQKNAHWOPF-LBPRGKRZSA-N 301.412 -0.518 30 20 DBED N#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C[C@H]2C=CCC2)C1 1190904378 FMEFMJVYYXDVOD-YNEHKIRRSA-N 306.366 -0.856 30 20 DBED C=CCCC(=O)N[C@@H]1CN(C[C@@H](O)Cn2cccn2)C[C@H]1O 1191651225 CXRCDAFCOMOZAU-MGPQQGTHSA-N 308.382 -0.629 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2ccnnc2)C1 1192512132 BORMBROPPGQIAW-CYBMUJFWSA-N 301.350 -0.628 30 20 DBED COCCOCCN1C[C@@H](O)[C@H](NC(=O)C#CC(C)(C)C)C1 1192870602 BWTQYOGTUUELQN-ZIAGYGMSSA-N 312.410 -0.140 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN([C@H](C)c2n[nH]c(C)n2)C[C@H]1O 1192890982 FLMJRZBGTMDDDX-RAIGVLPGSA-N 321.381 -0.625 30 20 DBED C[C@H](CC(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1O)C1CC1 1199180723 FJVMIQPMBRGFTB-RAIGVLPGSA-N 308.382 -0.776 30 20 DBED COC[C@H](O)CNC[C@H]1CN(C(=O)C#CC2CC2)CCCO1 1200452564 JIVHMATYBYRYNH-CABCVRRESA-N 310.394 -0.386 30 20 DBED C#CCNC[C@H]1CN(C(=O)CCN2CCOCC2)CCCO1 1201638690 CACIUQJLLGGRBK-HNNXBMFYSA-N 309.410 -0.451 30 20 DBED C#CCNC[C@H]1CN(C(=O)c2cnc(OC)nc2)CCCO1 1201775139 SOPMVJDCVJCHFE-ZDUSSCGKSA-N 304.350 -0.061 30 20 DBED C=CCNC(=O)CNCC1CCN(C(=O)c2cnnn2C)CC1 1205146908 QDUIQUYJLYZHSF-UHFFFAOYSA-N 320.397 -0.441 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)CCCC(N)=O)CC1 1206973161 UIEHGJFUSAEXEK-UHFFFAOYSA-N 322.409 -0.780 30 20 DBED Cc1cc(C(=O)N2CCC[C@@H](NCC(=O)NCC#N)C2)on1 1207277518 SBZUTHXREHMXIP-LLVKDONJSA-N 305.338 -0.183 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)CNC(=O)CCC)C1 1207562927 YSAJCWFRIZVPIW-CYBMUJFWSA-N 324.425 -0.215 30 20 DBED CC(=O)NCCOCCN[C@@H]1CCCN(C(=O)[C@H](C)C#N)C1 1207694759 XHZSIJRRLRVMPG-TZMCWYRMSA-N 310.398 -0.121 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCN(C(=O)CCc2ccon2)C1 1208560907 CVTDIENZAVZENG-CYBMUJFWSA-N 319.365 -0.172 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)Cn2ccc(C)n2)[C@H](C)C1 1208692293 ZATVEVIXDXPZMA-TZMCWYRMSA-N 319.409 -0.070 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1CN(CC(N)=O)C[C@H]1C 1209178060 BSJKVHBVRJKDLU-KGYLQXTDSA-N 310.398 -0.621 30 20 DBED C#CCCN[C@@H]1CCCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)C1 1209940298 KUABVZAKGFWTIS-LLVKDONJSA-N 320.349 -0.989 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCCN(C(=O)c2ccncn2)C1 1210208846 WAGQCMQRWSBXLO-QWHCGFSZSA-N 315.377 -0.191 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)C23CCN(CC2)C3)[C@H](C)C1 1210330407 XMLAAZZBZVJFOO-ZIAGYGMSSA-N 320.437 -0.179 30 20 DBED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)C#CC(C)(C)C 1212253842 JUCMCSNAZIMJIE-CHWSQXEVSA-N 320.393 -0.509 30 20 DBED C=CCN1C[C@@H](NC(=O)[C@@H](CCC)S(N)(=O)=O)[C@H](OC)C1 1213217565 YQQFDQTZQZCUAX-IJLUTSLNSA-N 319.427 -0.555 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)C2=COCCC2)C1 1219329015 ZERASNTVRBINDZ-BNOWGMLFSA-N 323.393 -0.467 30 20 DBED CCn1nc(C)c(CN2C[C@H](O)[C@H](NC(=O)[C@@H](C)C#N)C2)n1 1219381086 HWMJSCVODFDGEX-BIMULSAOSA-N 306.370 -0.573 30 20 DBED CC[C@H](SC)C(=O)N[C@@H]1CN(CC#CCOC)C[C@@H]1O 1219475011 YJHUMFBJBDKNEU-AGIUHOORSA-N 300.424 -0.061 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)CS(=O)(=O)CC(C)C)C1 1219892057 QIVSYOWBOUCKOH-OLZOCXBDSA-N 316.423 -0.758 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@@H](C)Cc2cnn(C)c2)C1 1220646638 GTNLZIOAYNUTOB-CFVMTHIKSA-N 304.394 -0.217 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)CNC(=O)c2cccs2)C1 1220904301 CLUQOKACDAYQHL-ZJUUUORDSA-N 308.363 -0.837 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN([C@@H](C)c2nnnn2C)C[C@@H]1O 1221139865 QRYLCWIWFBILSK-TUAOUCFPSA-N 324.385 -0.975 30 20 DBED N#CCNC(=O)CN1CCC(NC(=O)c2cnns2)CC1 1226259319 IQBITWOQPHZTDN-UHFFFAOYSA-N 308.367 -0.628 30 20 DBED C=CCOCCN1CCC(NC(=O)CS(C)(=O)=O)CC1 1226352067 LYBFPGKVQBNGPK-UHFFFAOYSA-N 304.412 -0.186 30 20 DBED COC(=O)[C@@H]1C[C@H]1C(=O)NC1CCN(CC(=O)NCC#N)CC1 1226471976 WROYVRGGFKXGJX-VXGBXAGGSA-N 322.365 -0.984 30 20 DBED CNC(=O)NC(=O)[C@@H](C)N1CCC(NC(=O)C#CC2CC2)CC1 1227271911 BPYILBVRNGUEAN-LLVKDONJSA-N 320.393 -0.176 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)C23CCN(CC2)C3)CC1 1230047023 OPORKNCNZIICDR-UHFFFAOYSA-N 318.421 -0.588 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)NCCOC[C@H]1CCCO1 1257512125 JSGZZGLYGQEJJD-CQSZACIVSA-N 306.362 -0.217 30 20 DBED C[C@@H]1C[C@H](CNC(=O)C(=O)N2CC[C@](O)(CC#N)C2)[C@@H](C)O1 1261473611 MGVPPUPVLWOTHY-RTWAVKEYSA-N 309.366 -0.207 30 20 DBED CC1(C)OC[C@H](CNC(=O)C(=O)Nc2cnn(CC#N)c2)O1 1319909782 SLJMMJPORLNTPU-JTQLQIEISA-N 307.310 -0.387 30 20 DBED C#CCNC(=O)C1CCN(Cc2cn(C)c(=O)n(C)c2=O)CC1 1321273754 MOJKTVRERYJMJD-UHFFFAOYSA-N 318.377 -0.955 30 20 DBED CCN(C[C@@H](C)C#N)C(=O)COC(=O)CC[C@@H]1NC(=O)NC1=O 1323929796 DVZBBAWDLUACNL-UWVGGRQHSA-N 324.337 -0.474 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCC([C@@H]2CCCN2)CC1 1325355026 FXHDYLJPIYTRKF-AWEZNQCLSA-N 307.394 -0.257 30 20 DBED C[C@@H](NC(=O)C(=O)N1CC[C@](O)(CC#N)C1)c1csnn1 1326167116 IBDQFWRHDLWGRT-PRHODGIISA-N 309.351 -0.408 30 20 DBED CC#CCCNC(=O)C(=O)NCc1cc(=O)n2ccccc2n1 1326717205 ULKGRIVCTCFJKC-UHFFFAOYSA-N 312.329 -0.160 30 20 DBED C#CCSCCNC(=O)C(=O)N1CCCN(CC)C(=O)C1 1329181608 ASVHZOLFWJVOCF-UHFFFAOYSA-N 311.407 -0.450 30 20 DBED C=C(C)COCCNC(=O)C(=O)N1CCC(CO)(OC)CC1 1329934121 NKTRLGRXRHEXSG-UHFFFAOYSA-N 314.382 -0.305 30 20 DBED C=CC1CCN(C(=O)C(=O)NCCCS(=O)(=O)NC)CC1 1330467937 SZIIXLWIIVGCOU-UHFFFAOYSA-N 317.411 -0.534 30 20 DBED C=C(C)CN(C)C(=O)C(=O)Nc1ccc(=O)n(CC(N)=O)c1 1331005902 ROTDXBRTCNUOFE-UHFFFAOYSA-N 306.322 -0.693 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N[C@H]1CCCN(CC)C1=O 1333726548 DNVGBNXPOGAGCF-ZDUSSCGKSA-N 303.362 -0.401 30 20 DBED C#CCN(C(=O)C(=O)NC[C@@H]1COC2(CCOCC2)O1)C(C)C 1335617140 LKOOGYTVQAQOLR-CYBMUJFWSA-N 324.377 -0.105 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)NCCc2cccc(O)c2)CCO1 1341147895 GKVSIPVEQSHGTQ-CYBMUJFWSA-N 303.318 -0.198 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)NCC1(S(C)(=O)=O)CCC1 1343079132 FYVONWCQSQCHMN-JTQLQIEISA-N 318.395 -0.613 30 20 DBED CCOC[C@@H](NC(=O)Cn1cc(C#N)c(O)nc1=O)C(C)C 1362600046 HXPLNYBSQITXLH-LLVKDONJSA-N 308.338 -0.002 30 20 DBED C=C(Cl)CN1CCO[C@H](CNC(=O)Cn2cnnn2)C1 1367303219 ZLWZELQRXRRBFG-SNVBAGLBSA-N 300.750 -0.757 30 20 DBED COCCN(CCNC(=O)[C@H](C)C#N)C(=O)Cc1ccnn1C 1384407922 AINATLSZANNDKO-GFCCVEGCSA-N 321.381 -0.287 30 20 DBED CCCN(CCNC(=O)[C@@H]1CC(=O)NC(=O)N1)C(=O)[C@@H](C)C#N 1387421040 LAFUZEWJNRRMIQ-UWVGGRQHSA-N 323.353 -0.901 30 20 DBED C[C@H](CS(C)(=O)=O)C(=O)N[C@H]1C[C@H](NC(=O)[C@H](C)C#N)C1 1397223053 ZCKUPCNFDRFSSU-GWOFURMSSA-N 315.395 -0.410 30 20 DBED CCN(CCC#N)C(=O)CN1CC(NC(=O)[C@H]2CCCO2)C1 1404705487 BKROJGNMJZQQBI-CYBMUJFWSA-N 308.382 -0.272 30 20 DBED COc1cnc(C(=O)N2CC[C@@H](NC(=O)[C@@H](C)C#N)C2)nc1 1407129227 PPMVZZUXWPLELS-VHSXEESVSA-N 303.322 -0.024 30 20 DBED C[C@@H](C#N)C(=O)N1CC([C@@H](C)NC(=O)CCn2ccnn2)C1 1411941416 GZYZUMUWXJAPSZ-WDEREUQCSA-N 304.354 -0.209 30 20 DBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[C@H]1CO 1413663473 HVEZQCXTSJQHES-PWSUYJOCSA-N 323.374 -0.182 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)c1cn(C)c(=O)nc1O 1414199814 MEUGFUJLKMXXNP-MRVPVSSYSA-N 300.340 -0.344 30 20 DBED C[C@H](C#N)C(=O)NC1CCN(C(=O)CCS(C)(=O)=O)CC1 1414674299 UUXCRANWAFSMIL-SNVBAGLBSA-N 315.395 -0.312 30 20 DBED CCN(CCNC(=O)[C@H](C)C#N)C(=O)CCCS(N)(=O)=O 1415718728 IECCJKLFMPYQPN-SNVBAGLBSA-N 318.399 -0.821 30 20 DBED N#Cc1ncccc1S(=O)(=O)N(CC(N)=O)C1CCOCC1 1424567068 IODREOPWDJHCAI-UHFFFAOYSA-N 324.362 -0.392 30 20 DBED Cc1ccc(C(=O)N(C)C[C@@H](O)CNC(=O)[C@@H](C)C#N)c(O)n1 1425881564 NIFRPSBXWFKIFT-ONGXEEELSA-N 320.349 -0.196 30 20 DBED C[C@H](N[C@H](C)CNC(=O)c1cc(C#N)c[nH]1)c1nnnn1C 1437119610 GWPAAACBKWFOEO-BDAKNGLRSA-N 302.342 -0.121 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CN(C)C(=O)c1ccnc(O)c1 1444627551 NMICBPIBCFGNHT-ONGXEEELSA-N 306.322 -0.504 30 20 DBED COCCN(CCNC(=O)[C@H](C)C#N)C(=O)Cn1nccc1C 1452152868 VBNVYBZESBQGMS-GFCCVEGCSA-N 321.381 -0.058 30 20 DBED C[C@H](CNC(=O)[C@@H]1CCC(=O)N1C)NC(=O)c1c[nH]c(C#N)c1 1452501632 VNGZBPCXQLGSAF-SKDRFNHKSA-N 317.349 -0.258 30 20 DBED C[C@H](C#N)C(=O)NCCN(C)C(=O)[C@@H]1CCc2nncn2C1 1455436922 XLLYOCXUWJSQJY-GHMZBOCLSA-N 304.354 -0.425 30 20 DBED C#CCNC(=O)CNC[C@H]1CCCN1C(=O)Cc1ccn(C)n1 1483930827 FXPFHOBYCHLQTC-CQSZACIVSA-N 317.393 -0.707 30 20 DBED CNC(=O)NC(=O)CNC[C@H]1CC[C@H](NC(=O)[C@@H](C)C#N)CC1 1484565551 ZUXLDFCDZSRCKX-SRVKXCTJSA-N 323.397 -0.134 30 20 DBED CNC(=O)CN[C@@H](C)[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCO1 1506829922 BETQJVGQSZCZJH-GXFFZTMASA-N 319.365 -0.549 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CCN(C(=O)c2nccnc2N)C1 1527114520 KNLHRNUGOFOEIR-VHSXEESVSA-N 302.338 -0.203 30 20 DBED C#CCN(C(=O)N[C@@H]1CCS(=O)(=O)[C@@H]1C)C1CCNCC1 1574590881 NTEAUXAEPGKXKG-DGCLKSJQSA-N 313.423 -0.041 30 20 DBED C[C@H](CN(C)c1nccnc1-c1nn[nH]n1)NC(=O)[C@H](C)C#N 1574823117 BGHHNQBMLOFNMU-RKDXNWHRSA-N 315.341 -0.243 30 20 DBED N#CCSCC(=O)NCC1[C@H]2CN(Cc3cnn[nH]3)C[C@H]12 1577710197 RQQBHBMUZOQFQG-VXGBXAGGSA-N 306.395 -0.145 30 20 DBED N#Cc1c(-c2nn[nH]n2)nc(N)n1Cc1cc(O)nc(C2CC2)n1 1581860876 XQMCJLCKYRHEAH-UHFFFAOYSA-N 324.308 -0.062 30 20 DBED C#CCNC(=O)c1ccc(N2C[C@@H](O)C[C@H](C(=O)O)C2)nc1 1588485487 SFXCZOYYUDNGOR-RYUDHWBXSA-N 303.318 -0.284 30 20 DBED C=C(CCC(=O)O)C(=O)N1CCO[C@H](CN2CCOCC2)C1 1588619341 QVIRQEYUWZAICD-CYBMUJFWSA-N 312.366 -0.033 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@H](CNc2ncc(C(=O)O)cn2)C1 1589329358 LSRYZVKZNGQQLJ-MWLCHTKSSA-N 319.321 -0.026 30 20 DBED N#Cc1ncn(CCNC(=O)[C@@H]2CO[C@@H](CCC(=O)O)C2)n1 1594635785 VEQGDSKXBRYNNC-UWVGGRQHSA-N 307.310 -0.464 30 20 DBED C#CCN(CC(=O)O)C(=O)NCCC(C)(C)S(C)(=O)=O 1602685854 ICCJUSNWLDYCSJ-UHFFFAOYSA-N 304.368 -0.071 30 20 DBED C=CCOCCCNC(=O)C(=O)N1C[C@@H](C(=O)O)O[C@H](C)C1 1602915019 AOAZGQWZCIMJOB-MNOVXSKESA-N 314.338 -0.604 30 20 DBED C[C@H](C#N)C(=O)N1CC(NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1602982607 ZPDDQYAPDYXAHD-SSDOTTSWSA-N 314.309 -0.705 30 20 DBED C[C@H]1CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)C[C@H]1C(=O)O 1603416827 BTLGGWIZYREASV-WCBMZHEXSA-N 320.305 -0.610 30 20 DBED CN(C[C@@H]1COCCO1)c1cnc(-c2nn[nH]n2)c(C#N)n1 1604736052 KYSUQUHVJNKJIV-MRVPVSSYSA-N 302.298 -0.620 30 20 DBED N#C[C@@]1(C(=O)N[C@H]2CCCCN(CC(=O)O)C2=O)CCCOC1 1605577113 WXUJOZRWDHLCOR-NHYWBVRUSA-N 323.349 -0.111 30 20 DBED C#CCNC(=O)CN1CCC[C@H](NC(=O)c2n[nH]cc2F)C1 1660841656 GVNSPBJGXMBLIW-JTQLQIEISA-N 307.329 -0.508 30 20 DBED N#CCNC(=O)CN1CCCC[C@@H]1CNC(=O)c1ccncn1 1752824351 VJGWDYKAOKGPEM-GFCCVEGCSA-N 316.365 -0.299 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@H]1CCCN1CC(=O)NC(N)=O 1753105777 REQBZMWDOGJFNT-YGRLFVJLSA-N 312.370 -0.911 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCNCC(=O)NC(=O)NC(C)(C)C 1753176847 CXTCERCQBYZHCY-JTQLQIEISA-N 311.386 -0.182 30 20 DBED C#CCNC(=O)[C@H](C)N(C)C[C@H]1CCN(C(=O)CCOC)C1 1753347392 ZYTNRFVNGNBPBG-UONOGXRCSA-N 309.410 -0.059 30 20 DBED COCC#CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC(=O)N1C 1753423835 AGKCMZWUBRKFFD-MELADBBJSA-N 305.378 -0.458 30 20 DBED C#CCNC(=O)[C@H](C)N(C)CCN(C)C(=O)c1[nH]c(O)nc1C 1753855528 BDYILXIFHHLZAZ-NSHDSACASA-N 321.381 -0.435 30 20 DBED C#Cc1cncc(C(=O)NC[C@@H](O)CN[C@H](C)C(=O)N(C)C)c1 1753927817 RKZXTTZAMAKDNJ-RISCZKNCSA-N 318.377 -0.780 30 20 DBED C[C@H](NCC#N)[C@H]1CCN(C(=O)CCN2C(=O)CCC2=O)C1 1754800364 HZOICUGOTIOBPJ-RYUDHWBXSA-N 306.366 -0.124 30 20 DBED N#CCNC[C@H]1CC[C@H](CNC(=O)CN2CCOCC2=O)CC1 1754833598 FESJMOPOIJKMEQ-HDJSIYSDSA-N 322.409 -0.119 30 20 DBED C=C(C)CCC(=O)N1CCO[C@H](CNCc2nnn(C)n2)C1 1755001307 WEFUNWHUCGDCPC-GFCCVEGCSA-N 308.386 -0.117 30 20 DBED C=CCCCNC[C@@H]1CN(C(=O)C[C@@H]2CC(=O)NC2=O)CCO1 1755017416 MVLWFKWVFBZESX-QWHCGFSZSA-N 323.393 -0.178 30 20 DBED CCc1n[nH]cc1C(=O)NC1CC(CNCC(=O)NCC#N)C1 1755213693 PQOYXQHQYYUTQB-UHFFFAOYSA-N 318.381 -0.290 30 20 DBED C[C@H](CNC(=O)c1c[nH]c(C#N)c1)N(C)[C@@H]1CCC(=O)NC1=O 1755295633 AQOIIHAVCHWRHU-BXKDBHETSA-N 317.349 -0.258 30 20 DBED C#CCNC(=O)CN(C)[C@H](C)CNC(=O)[C@]1(C)CCNC(=O)C1 1755305083 JGTMULXICYOYIP-MLGOLLRUSA-N 322.409 -0.911 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(CNC(=O)C#CC(C)C)[C@@H]2C1 1755419330 DSTHPAKDCXNSPK-GJZGRUSLSA-N 301.390 -0.311 30 20 DBED COCC#CCN1C[C@@H]2C(CNC(=O)[C@H]3CCNC3=O)[C@H]2C1 1755426984 XDASREKPTXDUEC-IACUBPJLSA-N 305.378 -0.934 30 20 DBED COCC#CCN[C@@H](CO)CNC(=O)C[C@H](C)n1ccc(C)n1 1755633798 DBNZCFGMDPIVSG-LSDHHAIUSA-N 322.409 -0.141 30 20 DBED C#CCNC[C@H]1CC[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)C1 1755746317 GYSSASCUNHGCKO-QWHCGFSZSA-N 305.382 -0.602 30 20 DBED CN(C[C@@H](O)CNCC#N)C(=O)c1ccn(C2CCOCC2)n1 1755779968 UZOSFZXSOGLQFC-ZDUSSCGKSA-N 321.381 -0.219 30 20 DBED CN(CCOCCNCC#N)C(=O)[C@H]1CCc2nnn(C)c2C1 1755876877 VJDYOPVULGHOSE-LBPRGKRZSA-N 320.397 -0.492 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)/C(C)=C/C 1756529699 GIRIZDLQGWXGTF-NUIMBWKGSA-N 307.394 -0.357 30 20 DBED Cc1ccnc(C(=O)N(C)C[C@H](O)CNC(=O)C#CC2CC2)n1 1756661320 WZXVWQGLMMHTNJ-CYBMUJFWSA-N 316.361 -0.252 30 20 DBED C#CCN1CCC(C(=O)NCCN(CCOC)C(C)=O)CC1 1756727480 UEGVKWJRJQMQEQ-UHFFFAOYSA-N 309.410 -0.057 30 20 DBED C=CCCC(=O)N[C@@H]1CN(C(=O)C[C@H]2COC(=O)C2)C[C@H]1O 1756984654 FEBVCBYDRKXRTJ-IJLUTSLNSA-N 310.350 -0.406 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 1757213929 PJJZLRZDVRXCQF-POQQGIQPSA-N 324.377 -0.556 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCO[C@@](C)(C(=O)O)C1 1776857439 OJIFLXRRZXISSC-ZYHUDNBSSA-N 319.383 -0.112 30 20 DBED C[C@H](O)C(=O)N1CC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1783510161 HDVNAPNJZINGLY-NHYWBVRUSA-N 309.366 -0.253 30 20 DBED N#CC1(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CNC(N)=O)C3)CC1 1795849981 IIEDXDKIVYJFIU-JGPRNRPPSA-N 319.365 -0.403 30 20 DBED CC(=O)NCC(=O)N1CCCC12CN(C(=O)C#CC1CC1)C2 1845989635 LVKNNYBSLMQEHF-UHFFFAOYSA-N 303.362 -0.261 30 20 DBED Cn1ccnc1C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846195225 QTHNUZZYLRMJQM-UHFFFAOYSA-N 316.317 -0.675 30 20 DBED CC(C)(CNC(=O)CN1CCOC[C@@H]1C#N)N1CCOCC1 89129911 XGCNBOSDCUPTBP-ZDUSSCGKSA-N 310.398 -0.562 30 20 DBED CC#CCN1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1 159054786 JBFZBHXFDFKIIK-OKILXGFUSA-N 315.439 -0.019 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(CC(=O)NCCOC)CC1 247839292 KJJQDBWEHWLFOI-CYBMUJFWSA-N 312.414 -0.943 30 20 DBED C[C@H]1CN/C(=N/CCC(=O)N2CCN(c3ncccn3)CC2)N1 262677884 URVITRQDROXEKC-LBPRGKRZSA-N 317.397 -0.547 30 20 DBED C[C@@](O)(CNS(=O)(=O)c1c(F)cc(C#N)cc1F)C(=O)O 263508640 WROWNTAIBQVWMF-LLVKDONJSA-N 320.273 -0.050 30 20 DBED N#C[C@@H]1CN(C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)CCO1 264485699 MOELUHVUMDALNB-LLVKDONJSA-N 322.346 -0.765 30 20 DBED C[C@H](C#N)CN(C)C(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 266310806 WQBYVUHRAKURPV-AIPRNEOBSA-N 305.334 -0.233 30 20 DBED N#Cc1ccc(S(=O)(=O)CCN2CCO[C@@H](C(N)=O)C2)cc1 267037600 COUCPUCWNXJHLQ-CYBMUJFWSA-N 323.374 -0.482 30 20 DBED C[C@@H]1CN(C)CC[C@H]1N(C)c1c(C#N)c(=O)n(C)c(=O)n1C 267550892 DGRZSFHFIDTAHL-ZYHUDNBSSA-N 305.382 -0.268 30 20 DBED CN1C[C@@H](NC(=O)C(=O)Nc2ccc(F)cc2C#N)CC1=O 267554506 KOYDGHIVBBWIMA-JTQLQIEISA-N 304.281 -0.017 30 20 DBED C#CC(C)(C)N(C)CCn1cnc2c1c(=O)n(C)c(=O)n2C 279151749 AMXVUGNMVXROJN-UHFFFAOYSA-N 303.366 -0.223 30 20 DBED N/C(=N/CCOC[C@@H]1CCCO1)NCCCN1CCOCC1 304750069 ICHSNYDPFBLQPS-AWEZNQCLSA-N 314.430 -0.191 30 20 DBED CC(C)[C@H](C/N=C(/O)NC[C@@]1(O)CCOC1)N1CCOCC1 328833787 LSQLPVQXASFTMT-ZFWWWQNUSA-N 315.414 -0.002 30 20 DBED CN1C(=O)CC[C@@H]1/C(O)=N/[C@H]1CCCN(S(C)(=O)=O)C1 329242112 OAVNBEWTPSVUJJ-VHSXEESVSA-N 303.384 -0.012 30 20 DBED CN1CC(=O)N(C/C(O)=N/[C@H](CO)CN2CCCCC2)C1=O 329464042 QXLYLHFWXHQMLU-NSHDSACASA-N 312.370 -0.316 30 20 DBED CC(C)N1C[C@@H](/N=C(/O)N2C[C@H]3[C@@H](C2)OCCN3C)CC1=O 329626191 TVTSTUFVMYZRPQ-RWMBFGLXSA-N 310.398 -0.076 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)N2CCS(=O)(=O)CC2)C1=O 329804442 ABRNIZIFJLEROM-LLVKDONJSA-N 315.395 -0.445 30 20 DBED CCN1CCN(C/C(O)=N/[C@@H]2CCN(C(C)=O)C2)C(=O)C1=O 329974414 DAQQEUWIDCFFCV-LLVKDONJSA-N 310.354 -0.746 30 20 DBED CC(C)N1C[C@H](N/C(O)=N/[C@H](C)CS(C)(=O)=O)CC1=O 331146401 ALVHNTXNZYZXGU-NXEZZACHSA-N 305.400 -0.068 30 20 DBED C=CCN1CC[C@H](N2CCC[C@H]2CS(=O)(=O)NC)C1=O 332411007 NWMYWXRYWKMGCP-RYUDHWBXSA-N 301.412 -0.213 30 20 DBED N#CCNC(=O)CNC(=O)NCCc1ccc2c(c1)OCCO2 343806986 LLFRKZGCEPTMGM-UHFFFAOYSA-N 318.333 -0.061 30 20 DBED N#CCNC(=O)CNC(=O)C[C@H]1Oc2ccccc2NC1=O 344189172 YSXQVBPVQYFFHR-LLVKDONJSA-N 302.290 -0.468 30 20 DBED C=CCNC(=O)CN1CCN(Cc2c([N+](=O)[O-])ncn2C)CC1 355654244 GVPMJEPHNZROOE-UHFFFAOYSA-N 322.369 -0.252 30 20 DBED N#CCC(=O)NCCN(CCN1CCOCC1)C(=O)CC#N 358399759 YGNQZYRCAJASMH-UHFFFAOYSA-N 307.354 -0.909 30 20 DBED CCOC(=O)N1CCCN(C(=O)NCC(=O)NCC#N)CC1 377021369 VCTYNXVZOAQWIV-UHFFFAOYSA-N 311.342 -0.500 30 20 DBED N#Cc1cn(Cc2ccc(S(N)(=O)=O)cc2)c(=O)nc1O 409442528 WMSYFUPWZGRALQ-UHFFFAOYSA-N 306.303 -0.484 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2c[nH]cc(C)c2=O)CC1 491568753 SMSFZZRVAZQCGE-UHFFFAOYSA-N 316.361 -0.809 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)Cc2cnn(CC)c2)CC1 548029926 JXPMBVLVHLHEFG-UHFFFAOYSA-N 319.409 -0.108 30 20 DBED C[C@@H]1CN(C(=O)NCC(=O)NCC#N)C[C@@]2(CCCOC2)O1 561577471 UKZLVVBTTOOHHL-BXUZGUMPSA-N 310.354 -0.394 30 20 DBED CC1(C#N)CN(CC(=O)N2CCN(c3cnccn3)CC2)C1 573335260 MEAABGSVZWKVHI-UHFFFAOYSA-N 300.366 -0.029 30 20 DBED CN(CCC#N)S(=O)(=O)N1CC[C@@H](C(=O)O)[C@@H](C(=O)O)C1 583119048 KMVUUNMCPHTGGE-BDAKNGLRSA-N 319.339 -0.816 30 20 DBED N#C[C@H](CO)NC(=O)[C@H]1COCC(=O)N1Cc1ccccc1 597746077 ICUYKPBCVIHMHQ-CHWSQXEVSA-N 303.318 -0.585 30 20 DBED N#Cc1ccc(N2CCC(NC(=O)NC(CO)CO)CC2)nc1 610401876 IYYIGZQCFDCFQV-UHFFFAOYSA-N 319.365 -0.426 30 20 DBED N#CCN1CCC(CNS(=O)(=O)N2CCOCC2)CC1 610890543 WCZMSFXHFSHHKU-UHFFFAOYSA-N 302.400 -0.611 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCS(=O)(=O)NC(C)C 730282576 ICTNHFVCRRCWIO-LBPRGKRZSA-N 301.412 -0.472 30 20 DBED C#CCOCCC(=O)O[C@H](C)C(=O)N1CCN(C(C)=O)CC1 756307649 JISJTUGMODWCFN-GFCCVEGCSA-N 310.350 -0.351 30 20 DBED C#CCOCCC(=O)O[C@@H](C)C(=O)N1CCN(C(C)=O)CC1 756307653 JISJTUGMODWCFN-LBPRGKRZSA-N 310.350 -0.351 30 20 DBED CN(CCC#N)S(=O)(=O)NCCS(=O)(=O)CC1CC1 765234657 XNNFLLQLPXJUGQ-UHFFFAOYSA-N 309.413 -0.509 30 20 DBED CCN(C[C@H](C)C#N)C(=O)COC(=O)Cn1cc([C@H](C)O)nn1 777109206 HDCZMRPWQIFQCI-MNOVXSKESA-N 323.353 -0.117 30 20 DBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccco2)CC1 782464740 USNPTQGXFOVUNG-UHFFFAOYSA-N 311.363 -0.665 30 20 DBED C[C@H]1[C@H](C)N(C(=O)C(=O)Nc2cnn(CC#N)c2)CCN1C 785297831 SWTQUCUZCPZJRK-QWRGUYRKSA-N 304.354 -0.104 30 20 DBED C#CCCCS(=O)(=O)NC1CCN(CC(=O)N(C)C)CC1 804991596 GLCBYBALEDDEJN-UHFFFAOYSA-N 315.439 -0.128 30 20 DBED C#CCCCNC(=O)C(=O)N1CCC[C@H](S(C)(=O)=O)C1 806913247 UDRFJPFOHHOGSX-NSHDSACASA-N 300.380 -0.448 30 20 DBED Cc1nsc(N2CCN(C(=O)C3=NNC(=O)C3)CC2)c1C#N 812271034 CHHJATFBXUEZTC-UHFFFAOYSA-N 318.362 -0.152 30 20 DBED N#Cc1c2c(cn(CC(=O)N3CCNC(=O)C3)c1=O)CCCC2 842574718 LVVZJNQDNZCFQK-UHFFFAOYSA-N 314.345 -0.443 30 20 DBED C[C@H](C(=O)N(C)CC(=O)N[C@@H]1CNC[C@H]1C#N)n1cccn1 844194149 AHKYHTSYSAWKEG-IJLUTSLNSA-N 304.354 -0.870 30 20 DBED C/N=C(/NCCN1CCOCC1)NCCN1CCO[C@H](C)C1 848999525 NTKDUAKGAHOZSQ-CQSZACIVSA-N 313.446 -0.796 30 20 DBED C=C(C)CN(CC)C(=O)COC(=O)CN1CC(=O)N(C)C1=O 860303427 JDAQRZMYUDPBPD-UHFFFAOYSA-N 311.338 -0.152 30 20 DBED CC[C@H](C#N)N(C)C(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C 892578378 LFMIBDWYTUNZDA-SECBINFHSA-N 317.349 -0.050 30 20 DBED N#Cc1c[nH]c(-c2nc(-c3cn(CCO)c(=O)nc3O)no2)c1 904859914 UZONELNTAJAIJQ-UHFFFAOYSA-N 314.261 -0.142 30 20 DBED N#CCN1CCC(NC(=O)C(=O)NC[C@H]2CCCCCN2)CC1 911249658 KUWXXUQOCJFDJO-CQSZACIVSA-N 321.425 -0.261 30 20 DBED C[C@H](OC(=O)[C@@H](C)N1C(=O)CCC1=O)C(=O)N(C)CCC#N 919261539 WRQQOUNRVNPQQL-ZJUUUORDSA-N 309.322 -0.172 30 20 DBED C#CCN1CCC[C@@H](NC(=O)[C@@]2(OC)CCS(=O)(=O)C2)C1 923595339 IRFABKKJUZFSEL-TZMCWYRMSA-N 314.407 -0.596 30 20 DBED O=C1CC(C(=O)N[C@H]2CCN(C(=O)C#CC3CC3)C2)CC(=O)N1 938274948 OVOUDTDWRFNYBJ-LBPRGKRZSA-N 317.345 -0.830 30 20 DBED C#CCN[C@@H]1CN(C(=O)Cc2c(C)nc(O)nc2O)C[C@H]1C 939386410 BQIFZKFEZYNHKO-BXKDBHETSA-N 304.350 -0.192 30 20 DBED C[C@H](C#N)C(=O)N1CCCN(C(=O)[C@@H](C)S(C)(=O)=O)CC1 941553329 TWBTUDGSEDSVJF-GHMZBOCLSA-N 315.395 -0.360 30 20 DBED C=CC(C)(C)C(=O)N1CCCN(C(=O)[C@H]2CNC(=O)N2)CC1 941840648 IQCPPNUKGKYKSS-LLVKDONJSA-N 308.382 -0.059 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@H](CNC(=O)c2ncccc2O)C1 944560387 JTFXXJBVDDIQRZ-WDEREUQCSA-N 318.333 -0.096 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CNC(=O)[C@@H]2CCN(C)C2=O)CC1 949393703 CZNMSIVORMKZCX-YPMHNXCESA-N 320.393 -0.021 30 20 DBED C=C(Br)CN1CCN(C(=O)[C@H]2CNC(=O)N2)CC1 949953550 NUHUVJMRRVDYOH-SECBINFHSA-N 317.187 -0.279 30 20 DBED C=C(C)CCN1CCN(C(=O)CN2C(=O)CN(C)C2=O)CC1 957584921 BVGWOLZEAYZRMN-UHFFFAOYSA-N 308.382 -0.009 30 20 DBED C#CCN1C[C@H](CNC(=O)c2cc(O)nc(C3CC3)n2)[C@@H](O)C1 958155275 BYIALRXKZVQNJV-AAEUAGOBSA-N 316.361 -0.285 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](NC(=O)CN2C(=O)CCC2=O)[C@H](C)C1 958376306 JXPZRJANCFVKBR-HBNTYKKESA-N 320.349 -0.742 30 20 DBED C#CCOc1ncccc1C(=O)NC[C@H]1CN(CC#C)C[C@H]1O 958593960 DWRJHLVLLHQSLQ-DZGCQCFKSA-N 313.357 -0.251 30 20 DBED CC#CCN1C[C@H](O)[C@H](CNC(=O)c2ccc(N(C)C)nn2)C1 958598599 KQBITYKTHCTBKO-OCCSQVGLSA-N 317.393 -0.412 30 20 DBED C=C(C)CCN1C[C@H](CNC(=O)c2cn(C)c(=O)n2C)[C@@H](O)C1 958736628 SKYKAAGRXZTEIT-JSGCOSHPSA-N 322.409 -0.288 30 20 DBED CCn1cccc1C(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1O 963615192 MKRWJNNMKUPYJU-LOWVWBTDSA-N 304.350 -0.031 30 20 DBED CCn1ncc(C(=O)NC[C@H]2COCCN2C(=O)[C@@H](C)C#N)n1 964181170 QSIFIFQKFIGSPR-QWRGUYRKSA-N 320.353 -0.585 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)c1n[nH]cc1F 964355400 VISVBTVFLASPDT-RKDXNWHRSA-N 309.301 -0.334 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CC[C@H](CNC(=O)c3cnon3)O2)C1 965557889 HZYOQGHPDBFUQB-VHSXEESVSA-N 319.321 -0.281 30 20 DBED C[C@@H]1CCN(CC#N)C[C@@H]1NC(=O)CN1C(=O)NC(=O)C1(C)C 968508524 APKJABFDUSKNHH-MNOVXSKESA-N 321.381 -0.333 30 20 DBED C#CCN1CC([C@@H](C)NC(=O)C2CC3(C2)CS(=O)(=O)C3)C1 969961068 JSOMVCOFDKFCJQ-LLVKDONJSA-N 310.419 -0.119 30 20 DBED C=C(C)CN[C@@H]1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)C1 970278455 XJPAQFZAVFCLCV-GFCCVEGCSA-N 306.366 -0.307 30 20 DBED CN(C[C@@H]1CCN1C(=O)CC(N)=O)C(=O)c1c[nH]c(C#N)c1 977585218 OSMBAVAAVDDNRX-NSHDSACASA-N 303.322 -0.565 30 20 DBED C#CCN1C[C@@H]2C(CNC(=O)[C@H]3CCc4nnc(O)n4C3)[C@H]2C1 978410144 OBZJAJLXCLQOQG-CYZMBNFOSA-N 315.377 -0.527 30 20 DBED Cn1cc(C(=O)N[C@H]2CCC[C@@H](NCC#N)C2)c(=O)n(C)c1=O 981360962 WXJWQOVCRXXIQW-MNOVXSKESA-N 319.365 -0.762 30 20 DBED CC#CCN1CCCC2(C1)CN(C(=O)C1CS(=O)(=O)C1)C2 981790150 WWXGUXCGXHOVGF-UHFFFAOYSA-N 310.419 -0.021 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](CN(C)C(=O)c2c[nH]c(=O)cn2)C1 988287368 PGTUVMSCCSANOG-MNOVXSKESA-N 317.349 -0.150 30 20 DBED N#Cc1cc(C(=O)N2CC(NC(=O)c3cnnc(O)c3)C2)c[nH]1 994041905 SSGGUPBRNNIBBO-UHFFFAOYSA-N 312.289 -0.364 30 20 DBED C=C[C@](C)(CC)C(=O)N1CC(NC(=O)C[C@@H]2CC(=O)NC2=O)C1 995307676 ZGSUTYPHFDMSGP-QLJPJBMISA-N 321.377 -0.032 30 20 DBED C#Cc1ccc(C(=O)N2CC(NC(=O)[C@H]3CCNC3=O)C2)nc1 997422531 RRQMQXFJCSNXEX-LBPRGKRZSA-N 312.329 -0.860 30 20 DBED Cc1ccnc2nc(C(=O)NC3CN(C(=O)[C@@H](C)C#N)C3)nn12 1000038470 NYRKSLPYWNONSO-QMMMGPOBSA-N 313.321 -0.467 30 20 DBED C=CCN[C@H]1CCCN(C(=O)CCn2cc[nH]c(=O)c2=O)C1 1000463084 BTJUZEYKENLLSY-LBPRGKRZSA-N 306.366 -0.307 30 20 DBED C=CC(C)(C)C(=O)N1CCN(C(=O)C2CC(=O)NC(=O)C2)CC1 1011533886 IVWLTUFUCFQGRO-UHFFFAOYSA-N 321.377 -0.078 30 20 DBED C[C@H]1C[C@@H](NC(=O)C2CS(=O)(=O)C2)CN1C(=O)C#CC1CC1 1012590090 IFAUUNFLFOPEGY-GXFFZTMASA-N 324.402 -0.450 30 20 DBED C#Cc1ccccc1CC(=O)NC1CC(N(C)C(=O)C(N)=O)C1 1016949752 XTNMMPOWLQJTGV-UHFFFAOYSA-N 313.357 -0.199 30 20 DBED C[C@H](C#N)C(=O)N1CC=C(CNC(=O)[C@@H]2CNC(=O)N2)CC1 1017688414 KHYXQTXUWNORGJ-KOLCDFICSA-N 305.338 -0.898 30 20 DBED C=CCn1cc(C(=O)N2C[C@H]3[C@@H](NCCO)CC[C@H]3C2)nn1 1026372058 SBTINUIXBMYGPH-XQQFMLRXSA-N 305.382 -0.103 30 20 DBED C#CCN1CC[C@H](CNC(=O)c2nc(O)nc(O)c2OC)C1 1028926145 JWFLRCZQGQIIFU-SECBINFHSA-N 306.322 -0.419 30 20 DBED C#Cc1cncc(C(=O)NCC2CN([C@H](CC)C(N)=O)C2)c1 1031963933 YYLZEQOEIUIOJS-CQSZACIVSA-N 300.362 -0.012 30 20 DBED C#CCN1CCCC[C@@H](NC(=O)[C@@H]2CCN(C)S2(=O)=O)C1 1034442795 SEAFQPXWBYUVRQ-OLZOCXBDSA-N 313.423 -0.376 30 20 DBED CC(=O)N1CCC[C@H](C(=O)NC[C@H]2CN(CC#N)CCO2)C1 1035437314 HBVNXAFEVRXDLO-KBPBESRZSA-N 308.382 -0.415 30 20 DBED C[C@@H]1CN(C(=O)c2cnc(O)n(C)c2=O)CC[C@@H]1NCC#N 1036140639 LJSRHHPEVWGPRT-KOLCDFICSA-N 305.338 -0.550 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCN1Cc1nnnn1C 1038256001 AEZPXWUWMVNZDU-XQQFMLRXSA-N 320.397 -0.118 30 20 DBED CO[C@@H](C)CC(=O)N1CC[C@@](O)(CNC(=O)C#CC2CC2)C1 1039678427 WBPLNEPFORJNDS-BLLLJJGKSA-N 308.378 -0.096 30 20 DBED C#CCOCCC(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2CCOC2)C1 1039719636 YKNFQVYWHSZYQA-CZUORRHYSA-N 324.377 -0.858 30 20 DBED C[C@H]1CN(C(=O)C(N)=O)CC[C@@H]1CNc1cnc(C#N)cn1 1040441689 KRAFOWGIXAEUHH-VHSXEESVSA-N 302.338 -0.270 30 20 DBED Cn1ccc(C(=O)N[C@@H]2CN(c3ccc(C#N)cn3)C[C@H]2O)n1 1041052719 BLNZRZHTYMVIDR-CHWSQXEVSA-N 312.333 -0.334 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CN(C)C[C@@H]2C)C1 1041963768 ZDNYAGIRASASAD-QWHCGFSZSA-N 309.410 -0.160 30 20 DBED N#CCN1CC[C@@H]2CCN(C(=O)CN3CCOCC3=O)C[C@H]21 1042098769 RZUCNYCFDUJRLH-CHWSQXEVSA-N 306.366 -0.708 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)c2ccncc2F)C1 1042273623 UVNFLPQQCMNIDE-SECBINFHSA-N 306.297 -0.317 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)c2cnn(C)c2N)C1 1042703640 NQZCJUSKFUSHFS-UHFFFAOYSA-N 319.365 -0.891 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)CCn2cncn2)C1 1042802593 LPHOOYUYKXNOLX-UHFFFAOYSA-N 319.365 -0.839 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)C[C@](C)(O)C=C)C1 1042812455 OMROINNSVQGDTC-SWLSCSKDSA-N 324.377 -0.959 30 20 DBED CCO[C@H](C(=O)NCC1(O)CN(C(=O)[C@@H](C)C#N)C1)C(C)C 1043034751 SMMOEJRMZBDNPI-RYUDHWBXSA-N 311.382 -0.103 30 20 DBED C=CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2[nH]nnc2C)C1 1043575327 JQQDFRGWNDFCMY-JTQLQIEISA-N 323.353 -0.993 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)c2cn(C)c(O)n2)C1 1044469462 AFNPQBOYGJWNFS-UHFFFAOYSA-N 322.365 -0.359 30 20 DBED C=CCCCC(=O)NCC1(O)CN(C(=O)[C@]2(C)CCC(=O)N2)C1 1045459183 XCXQNICKKOIKAX-HNNXBMFYSA-N 323.393 -0.299 30 20 DBED C=CCCCC(=O)NCC1(O)CN(C(=O)[C@]2(C)CCNC2=O)C1 1045459221 ZBTOTKLMAXTFPR-OAHLLOKOSA-N 323.393 -0.442 30 20 DBED C#CCN1CC[C@@H](N2CCN(C(=O)C(C)(C)C(N)=O)CC2)C1 1046037028 JRUOITXZIPYWQA-CYBMUJFWSA-N 306.410 -0.650 30 20 DBED C#CCN1C[C@H]2C[C@H](NC(=O)Cn3ncn(C)c3=O)C[C@H]1C2 1047097053 IOAQUSZNZRQMGS-RWMBFGLXSA-N 303.366 -0.816 30 20 DBED COCC(=O)N(C)[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1O 1048022475 OJJMJHMJZOYSMT-RYUDHWBXSA-N 306.322 -0.824 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cc[nH]n2)C1 1048326742 BAJATSWTAMOTRL-RYUDHWBXSA-N 308.338 -0.744 30 20 DBED CO[C@@H](C)C(=O)N(C)[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1O 1048416481 ZCSFLZRZWUEUNN-XDTLVQLUSA-N 320.349 -0.435 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C2(C(N)=O)CC2)C1 1049382881 UIRXOVSJUGETQS-RYUDHWBXSA-N 321.377 -0.915 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cc2cnc[nH]2)C1 1049631861 QLSIODIHNRPOGC-KBPBESRZSA-N 318.377 -0.214 30 20 DBED C#CCCN1CCOC[C@@H]1CNC(=O)c1ncc(OC)cn1 1051014204 SJKKLJWXNDDSCV-LBPRGKRZSA-N 304.350 -0.061 30 20 DBED C=CCOCC(=O)N[C@@H](C)[C@H]1CCN(C(=O)c2nnn(C)n2)C1 1051342397 RKURDXMVWODOOJ-QWRGUYRKSA-N 322.369 -0.621 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)c3cnc4n3CCOC4)CO2)C1 1053835694 PEOLDAQLPQAOTK-GFCCVEGCSA-N 316.361 -0.380 30 20 DBED N#Cc1ccc(N2C[C@H]3[C@H](NC(=O)Cc4cc[nH]n4)[C@H]3C2)nn1 1056161082 CXJBYRRNIQMMCT-JYAVWHMHSA-N 309.333 -0.135 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCCN2C(=O)CC(N)=O 1056325757 UVHMNKHMTNWFDE-AGIUHOORSA-N 321.377 -0.508 30 20 DBED Cc1nn[nH]c1C(=O)NC1[C@@H]2CN(c3ccc(C#N)nn3)C[C@@H]12 1056363117 WSYKWVUCXOENGC-NXEZZACHSA-N 310.321 -0.361 30 20 DBED C#CCO[C@H](C)C(=O)NCCN(CCO)C(=O)c1cnn(C)c1 1056934930 ZIQFIDCVOSYEGK-GFCCVEGCSA-N 322.365 -0.991 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)c1cnsn1 1057087861 SRHSLHVJZCCKJK-UHFFFAOYSA-N 314.367 -0.709 30 20 DBED C=C[C@@](C)(O)CC(=O)N(CCO)CCNC(=O)[C@@H]1CCOC1 1057450526 SLVISKSWWGNXKH-IUODEOHRSA-N 314.382 -0.713 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)C1CCC(O)CC1 1057460826 OBTHUMHEGORGLA-PNESKVBLSA-N 311.382 -0.366 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)CC1(O)CCC1 1057526479 BALMSQYHRKCJGO-UHFFFAOYSA-N 310.394 -0.112 30 20 DBED CN1CC[C@H](C(=O)N[C@@H]2CCN(c3ccnc(C#N)n3)C2)C1 1058373433 IHERBZAMLUXTIZ-NWDGAFQWSA-N 300.366 -0.005 30 20 DBED N#Cc1nccnc1N[C@H]1C[C@@H](NC(=O)[C@H]2COC(=O)N2)C1 1059625426 XTYCYVAQMHIBEW-KHQFGBGNSA-N 302.294 -0.484 30 20 DBED C=CCCC(=O)N1CCOC[C@H]1CNC(=O)[C@H]1CCC(=O)NC1 1061695224 YOEMIIYDOZNJDB-QWHCGFSZSA-N 323.393 -0.178 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)Cc1cncn1C 1061847945 NZJRXPHQCDAYKA-WCQYABFASA-N 319.365 -0.534 30 20 DBED Cc1cc(C#N)nc(N2C[C@@H]3C[C@H]2CN3C(=O)Cn2nccn2)n1 1062534861 UXIKSQJZKAWMMS-STQMWFEESA-N 324.348 -0.262 30 20 DBED C[C@@H]1CN(C(=O)CC(N)=O)CC[C@H]1Nc1cnc(C#N)cn1 1063714156 ULFNUNMSWLXGNS-MWLCHTKSSA-N 302.338 -0.127 30 20 DBED CSCC(=O)N1CCO[C@@H](CNC(=O)CSCC#N)C1 1064817654 KQCTYCBIWKYHCG-JTQLQIEISA-N 317.436 -0.050 30 20 DBED CN1CC[C@H](C(=O)N2CCO[C@H](CNC(=O)C#CC3CC3)C2)C1 1065168724 DVWQDWRZIVNZJG-LSDHHAIUSA-N 319.405 -0.305 30 20 DBED C[C@]1(NC(=O)[C@@H]2CNC(=O)N2)CCN(c2ccncc2C#N)C1 1065326288 NIBGAXZQLQJJCR-NHYWBVRUSA-N 314.349 -0.280 30 20 DBED Cc1nnccc1C(=O)N1CCO[C@@H](CNC(=O)[C@@H](C)C#N)C1 1065388803 ATTUZJMXLGZTLF-JQWIXIFHSA-N 317.349 -0.098 30 20 DBED C=C(C)C[C@@H](C)C(=O)N1CCO[C@H](CNC(=O)CC(N)=O)C1 1065490756 HCTHCSORSWQQLW-VXGBXAGGSA-N 311.382 -0.192 30 20 DBED CNC(=O)C1(C(=O)NC[C@@H]2CN(C(=O)[C@H](C)C#N)CCO2)CC1 1065556641 JCKTYAYMSVNRTG-GHMZBOCLSA-N 322.365 -0.984 30 20 DBED C[C@H]1CN(C(=O)c2cc[n+]([O-])cc2)C[C@@H]1N=c1cc[nH]c(C#N)n1 1067039613 KJRUEOYZNJPPHU-AAEUAGOBSA-N 324.344 -0.024 30 20 DBED C[C@H](C#N)C(=O)N(C)CCCN(C)C(=O)c1nnc(O)nc1O 1067853809 VRPILFDXMOEGLG-MRVPVSSYSA-N 322.325 -0.637 30 20 DBED Cn1cc(C(=O)NC[C@H]2[C@@H]3CN(c4ccnc(C#N)n4)C[C@H]23)nn1 1068169145 GHCIIGAIOBBEAF-RTCCRHLQSA-N 324.348 -0.411 30 20 DBED N#Cc1ccc(N2C[C@H]3C(CNC(=O)c4nc[nH]n4)[C@@H]3C2)nn1 1068180593 MPPFEJIFNAPMRM-QWRGUYRKSA-N 310.321 -0.421 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1COC2(C1)CN(C(=O)c1csnn1)C2 1069003244 LDLRHLVAGACGGA-IUCAKERBSA-N 321.362 -0.203 30 20 DBED N#Cc1cncc(N[C@@H]2CCC[C@@H]3CN(C(=O)C(N)=O)C[C@H]32)n1 1069318783 KUESUYUKDTWTEF-YUSALJHKSA-N 314.349 -0.127 30 20 DBED C#CCCCC(=O)N1CCC[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1 1070671073 VHXJJKINHXEXTA-VXGBXAGGSA-N 306.366 -0.422 30 20 DBED Cc1nc(CC(=O)N2CCC[C@@H](NC(=O)[C@@H](C)C#N)C2)n[nH]1 1070709103 RJXHTHBIZGDWRL-GXSJLCMTSA-N 304.354 -0.078 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CCCN(C(=O)C(=O)NCC2CC2)C1 1071190687 KHFRZMSBKJXFMK-CMPLNLGQSA-N 306.366 -0.221 30 20 DBED C[C@@H]1CN(C(=O)CC#Cc2ccccc2)C[C@@H]1NC(=O)C(N)=O 1072206847 YGWPTGZRKUUZRA-OCCSQVGLSA-N 313.357 -0.123 30 20 DBED C#CCNC(=O)CC(=O)NC1(C)CCN(C(=O)COCC)CC1 1072845375 PLZXDGFZFGQTSJ-UHFFFAOYSA-N 323.393 -0.340 30 20 DBED C[C@@H](C#N)C(=O)NC1(C)CCN(C(=O)[C@H]2COCCN2C)CC1 1072958331 YQBSIRXDLHNEOC-QWHCGFSZSA-N 322.409 -0.026 30 20 DBED CC#CCN1CCCO[C@@H](CNC(=O)[C@@H]2CCC(=O)N2C)C1 1073732694 VTGSOPLDKSZOJO-KBPBESRZSA-N 307.394 -0.162 30 20 DBED CC#CCN1CCCO[C@H](CNC(=O)c2cn(C)c(O)n2)C1 1073755496 AQNQJTKFISYJHR-GFCCVEGCSA-N 306.366 -0.030 30 20 DBED C[C@@H](CCNC(=O)c1ccc(C#N)[nH]1)NC(=O)CNC(N)=O 1076177788 PIYOFWVIWXQZAE-QMMMGPOBSA-N 306.326 -0.821 30 20 DBED C=CCN1C[C@@H]2CCN(C(=O)CC[C@H]3NC(=O)NC3=O)[C@@H]2C1 1076547734 ILQJGPQOACRHKR-QJPTWQEYSA-N 306.366 -0.307 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)Cc2cn(CC)nn2)C1 1077427127 SZOXILRFLHZJSN-ZIAGYGMSSA-N 307.398 -0.032 30 20 DBED C[C@@H](CCNC(=O)CCCS(N)(=O)=O)NC(=O)[C@@H](C)C#N 1078102969 LLJDXLCZGYEAFF-UWVGGRQHSA-N 318.399 -0.774 30 20 DBED C=CCN[C@H]1C[C@H](NC(=O)CN2CCN(C)C(=O)C2)C12CCC2 1078663464 MZKWRUFYKFNSLU-KBPBESRZSA-N 320.437 -0.037 30 20 DBED C#CCNC(=O)CC(=O)N(CC)C1CN(C(=O)[C@H]2CC23CC3)C1 1079645355 CBYCNJVIQZARFR-CYBMUJFWSA-N 317.389 -0.015 30 20 DBED C#CCOCCC(=O)N1CC(N(CC)C(=O)Cn2ccnc2)C1 1080034572 AUNQGQHMHBACIU-UHFFFAOYSA-N 318.377 -0.018 30 20 DBED CCN(C)CCC(=O)N1C[C@@H](O)[C@H](CNC(=O)C#CC(C)C)C1 1081464300 XWNHSJURDLIJNV-HUUCEWRRSA-N 323.437 -0.077 30 20 DBED C#CCOCCC(=O)N1C[C@H](O)[C@H](CNC(=O)C#CC(C)C)C1 1081465403 GWBBGNIUBAAXCZ-CABCVRRESA-N 320.389 -0.379 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)CCN(C)C)C[C@@H]1O 1081466364 SFGSTJYUSRTZMS-KGLIPLIRSA-N 309.410 -0.467 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(C(=O)c2ccc[nH]2)C[C@H]1O 1081468364 IUWFOLDQHSUPFP-TZMCWYRMSA-N 301.346 -0.023 30 20 DBED CNC(=O)c1cccc(C(=O)N[C@@H]2CN(CC#N)C[C@H]2OC)n1 1082349734 OTPTZKFELSVRKS-CHWSQXEVSA-N 317.349 -0.606 30 20 DBED C#CCN1C[C@H]2CC[C@H]1[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]21 1087338331 GXMOSFPEQXWHEH-SYQHCUMBSA-N 310.419 -0.167 30 20 DBED N#CCN[C@@H]1CCCCCN(C(=O)CC[C@H]2NC(=O)NC2=O)C1 1088422218 KADPBSBFOHXCDV-VXGBXAGGSA-N 321.381 -0.141 30 20 DBED N#CCN1C[C@H](NC(=O)[C@@H]2CCNC2=O)CC2(CCOCC2)C1 1089947620 LPJNNKROVPDNLA-CHWSQXEVSA-N 320.393 -0.367 30 20 DBED COCCn1cc(C(=O)N[C@H]2CCN(CC#N)C[C@@H]2O)c(C)n1 1090258266 MMDDIOXOVDPGPN-KBPBESRZSA-N 321.381 -0.474 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2cc(C(N)=O)cn2C)[C@@H](O)C1 1090398903 JEQWTCZGRQWQIX-OCCSQVGLSA-N 318.377 -0.688 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)c2ccc(C(N)=O)[nH]2)[C@@H](O)C1 1090573006 JDNROYCGTABUKT-MFKMUULPSA-N 306.366 -0.145 30 20 DBED Cc1c(C(=O)N[C@@H]2CCN(CC#N)C[C@@H]2O)nnn1C(C)C 1090684828 CBJOMHYFYBQHOS-NEPJUHHUSA-N 306.370 -0.144 30 20 DBED C=CCCN1CC[C@@H](NC(=O)CN2C(=O)CCC2=O)[C@H](O)C1 1090793574 FXTKCDMSZWFFPP-VXGBXAGGSA-N 309.366 -0.737 30 20 DBED C=C(C)CCN1CC[C@@H](NC(=O)CN2C(=O)CCC2=O)[C@H](O)C1 1090796538 PPILONZSSAMCJC-CHWSQXEVSA-N 323.393 -0.347 30 20 DBED COCC(=O)N[C@@H]1CCN(c2nc(C)cc(C#N)n2)C[C@H]1O 1092126076 IRXAXKBRSGMUIU-VXGBXAGGSA-N 305.338 -0.641 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(c2cnc(C#N)cn2)C[C@H]1O 1092154598 YKQLJOBSBIONJK-QWHCGFSZSA-N 317.349 -0.393 30 20 DBED N#Cc1cnc(NCCNC(=O)[C@H]2CCCS(=O)(=O)C2)cn1 1093866640 HZLNKSKDUWNPEQ-JTQLQIEISA-N 323.378 -0.299 30 20 DBED Cn1ncc(CCC(=O)NCCNc2cncc(C#N)n2)n1 1094121306 BZVGMKVWLDDXDP-UHFFFAOYSA-N 300.326 -0.362 30 20 DBED N#Cc1cncc(NCCNC(=O)c2cc(C(N)=O)co2)n1 1094136369 HRMMQEVNNLXEHI-UHFFFAOYSA-N 300.278 -0.118 30 20 DBED Cc1nsc(NCCNC(=O)C[C@@H]2NC(=O)NC2=O)c1C#N 1094214120 FCRXGXVEAZJMDP-QMMMGPOBSA-N 322.350 -0.551 30 20 DBED Cc1cc(CC(=O)N[C@@H]2CC(=O)N(C3CN(CC#N)C3)C2)n[nH]1 1094719842 GLTOXTLCSIVKEQ-GFCCVEGCSA-N 316.365 -0.815 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)[C@H]3CCCOCC3)CC2=O)C1 1094734011 PVHQSGHWQLZTAJ-KBPBESRZSA-N 319.405 -0.162 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)C3CC(OC)C3)CC2=O)C1 1094750362 ZXAIQZXRGCTQNR-LXVYMNJGSA-N 305.378 -0.554 30 20 DBED C=CCN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1cnc(C(N)=O)n1)C2 1094924638 JSWWDXDRSQTISP-SRVKXCTJSA-N 318.381 -0.468 30 20 DBED CNC(=O)CC(=O)N1CCC[C@H](N=c2cc[nH]c(C#N)n2)C1 1095288389 DZMJVJZFKRGHOY-JTQLQIEISA-N 302.338 -0.691 30 20 DBED CCNC(=O)CC(=O)N[C@H]1C[C@H](N=c2cc[nH]c(C#N)n2)C1 1097023742 YRXKNANRLVYMOQ-MGCOHNPYSA-N 302.338 -0.645 30 20 DBED C#CCOCCC(=O)NC[C@@H](C)Nc1ncnc2c1nnn2C 1098059577 UTWDKNVYXSFALQ-SNVBAGLBSA-N 317.353 -0.285 30 20 DBED C#CCNCc1cn([C@@H]2CCN(C(=O)C(C)(C)C(N)=O)C2)nn1 1098683327 XVDANXHVPZBGHK-GFCCVEGCSA-N 318.381 -0.714 30 20 DBED C[C@@H](CCNC(=O)Cn1cnnn1)Nc1ncccc1C#N 1098816767 BHOXTJDDUJJGOH-JTQLQIEISA-N 300.326 -0.053 30 20 DBED Cc1cc(C(=O)N[C@@H]2CCN(CC(=O)NCC#N)C[C@H]2O)co1 1099789202 LLJUUQSCSIBJLA-CHWSQXEVSA-N 320.349 -0.607 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CC(=O)NCC2CC2)[C@@H](O)C1 1100070223 QUUSMDGRWBXRNM-KGLIPLIRSA-N 307.394 -0.523 30 20 DBED CCN(CCNC(=O)[C@H](C)NC(N)=O)c1ccc(C#N)cn1 1100500967 MGCQXOXTOJORQH-JTQLQIEISA-N 304.354 -0.047 30 20 DBED C[C@H](NC(N)=O)C(=O)NC[C@H]1CCN(c2nccnc2C#N)C1 1100969524 XJNPQKITTOCWKT-VHSXEESVSA-N 317.353 -0.652 30 20 DBED C=CCOCC(=O)N1C[C@H]2CN(CC(=O)NCC#N)C[C@@]2(C)C1 1101174513 WZTLRWQDWARABE-CJNGLKHVSA-N 320.393 -0.391 30 20 DBED N#Cc1ccc(N(CCNC(=O)Cn2cncn2)C2CC2)nn1 1101345344 HDTJZEVXSLRVDD-UHFFFAOYSA-N 312.337 -0.275 30 20 DBED CCc1nc(C#N)cc(NCCN(C)C(=O)[C@H](C)NC(N)=O)n1 1101557645 ZRQZSTZEEZPQQW-VIFPVBQESA-N 319.369 -0.162 30 20 DBED Cc1cc(=NCCN(C)C(=O)[C@H]2CCNC2=O)c(C#N)c[nH]1 1101902864 HLAOOXVFBHLGMR-LBPRGKRZSA-N 301.350 -0.310 30 20 DBED CN(CCN=c1cc[nH]cc1C#N)C(=O)[C@@H]1CCN(C)C1=O 1101907686 MJGDBPKYYYVUEF-GFCCVEGCSA-N 301.350 -0.276 30 20 DBED N#Cc1nccnc1N1[C@H]2CC[C@H]1CN(C(=O)CNC(N)=O)C2 1102183926 KGQLTOWNYQRPHR-UWVGGRQHSA-N 315.337 -0.804 30 20 DBED C#CCN1C[C@@H](C)[C@H](CNC(=O)CN2C(=O)CN(C)C2=O)C1 1102560807 ODPZTTAHXZKVSC-VXGBXAGGSA-N 306.366 -0.802 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)C2=COCCC2)nn1 1105743175 XVCZFISDHRMEPL-LBPRGKRZSA-N 303.322 -0.068 30 20 DBED CCn1ncc(C(=O)NC[C@@H](O)CNc2ccc(C#N)cn2)n1 1105822767 VKIVKEKWSCZMDV-NSHDSACASA-N 315.337 -0.233 30 20 DBED Cc1ccc(C#N)c(NC[C@@H](O)CNC(=O)c2cnon2)n1 1105928959 VYEHVZLNBASVCO-SNVBAGLBSA-N 302.294 -0.153 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H](O)CNc1ccc(C#N)cn1 1105970368 GDRCDIHOUUIJBD-WCQYABFASA-N 302.334 -0.119 30 20 DBED C[C@@H](CC(=O)NC[C@H](O)CNc1ncccc1C#N)NC(N)=O 1105972469 KOEQPEYSEBCHLP-ONGXEEELSA-N 320.353 -0.711 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H](O)CNC(=O)CO[C@@H]1CCOC1 1105972828 QMUPETAPWIBMGD-CHWSQXEVSA-N 320.349 -0.930 30 20 DBED C[C@@H](CC(N)=O)C(=O)NC[C@@H](O)CNc1ncccc1C#N 1106060524 WQKCKQRYZGJWBU-ONGXEEELSA-N 305.338 -0.646 30 20 DBED N#Cc1nccnc1NC[C@@H](O)CNC(=O)Cc1cnoc1 1106069946 FXFFYGRLTBRKEX-JTQLQIEISA-N 302.294 -0.532 30 20 DBED C[C@@H]1CCCN1CC(=O)NC[C@@H](O)CNc1ccc(C#N)nn1 1106107783 DPAYQAWKDIVZMZ-YPMHNXCESA-N 318.381 -0.278 30 20 DBED CCCNC(=O)CN1CCO[C@](C)(CNC(=O)[C@H](C)C#N)C1 1107821018 HSDHRMQVMHZTSL-IUODEOHRSA-N 310.398 -0.121 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)[C@]1(C)CNC(=O)C1 1108015985 GLSYREQXNVPFFO-OTYXRUKQSA-N 302.338 -0.787 30 20 DBED C=CCCOCC(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1 1108594682 XSPBJAYCJZUDMF-LBPRGKRZSA-N 306.366 -0.496 30 20 DBED C=CCOCC(=O)N1C[C@H]2C[C@H](NCc3nnn(C)n3)C[C@H]1C2 1108649236 GRAXVMXPSCRALB-RWMBFGLXSA-N 320.397 -0.118 30 20 DBED C#CCN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCS(=O)(=O)NC)C2 1108689213 UUXYKWOZWXKPTK-XQQFMLRXSA-N 313.423 -0.472 30 20 DBED CN(CCCNc1nccnc1C#N)C(=O)CCNC(N)=O 1109450690 DYRHAIMDYSMWQL-UHFFFAOYSA-N 305.342 -0.333 30 20 DBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CNC(=O)CC 1110392471 PKZKHVKNBFNIIV-UPJWGTAASA-N 322.409 -0.464 30 20 DBED Cn1nnc(CN2[C@H]3CC[C@@H]2C[C@H]3NC(=O)C#CC2CC2)n1 1110531630 HPCQRGCFSNXZGA-UPJWGTAASA-N 300.366 -0.155 30 20 DBED CN(C(=O)C#CC1CC1)[C@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1111183472 GZVYPQMJPSMXAM-KBPBESRZSA-N 311.345 -0.230 30 20 DBED N#Cc1nc(=NCCN(CCO)C(=O)c2ccncc2)cc[nH]1 1111420690 LBXXOKVNLXYPNN-UHFFFAOYSA-N 312.333 -0.288 30 20 DBED N#Cc1ccc(NCCN(CCO)C(=O)CCNC(N)=O)nc1 1111473354 MJJUDIOJHXIGSK-UHFFFAOYSA-N 320.353 -0.756 30 20 DBED CN(C)C(=O)CC(=O)N1C[C@@H](NCC#N)[C@H](C(F)(F)F)C1 1112176846 BKXTVNMVJPSXFS-RKDXNWHRSA-N 306.288 -0.033 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)c2cn(C)cn2)CC1 1112767394 QONMCCVGCQTPSW-GFCCVEGCSA-N 303.366 -0.684 30 20 DBED COCC#CCN1CCN(C(=O)c2cnc3n2CCOC3)CC1 1112982255 GULBMKVAINQNCK-UHFFFAOYSA-N 318.377 -0.179 30 20 DBED CC(=O)NCC(=O)N(C)CC(C)(C)CN=c1cc[nH]c(C#N)n1 1113394095 KQWOZNFYRISXGM-UHFFFAOYSA-N 318.381 -0.197 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN([C@H](CC)C(N)=O)CC1 1113409847 BSSUVHUQVCKMRR-ZIAGYGMSSA-N 324.425 -0.135 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H](C)N(C)c1ncc(F)cn1 1113567363 QIJRZIDTYOWERK-JTQLQIEISA-N 307.329 -0.304 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)C[C@](C)(O)C3CC3)[C@H]2C1 1114149150 PQQZLTRMTYITIK-IXKJSCDLSA-N 319.405 -0.667 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@H]2CN(CCOCC(C)C)C[C@H]12 1114160410 XMZIKTUETZXCOS-KBPBESRZSA-N 321.421 -0.155 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)c3cn(C)ccc3=O)[C@@H]2C1 1114546150 XEVMHKOYTCJZPK-CHWSQXEVSA-N 315.373 -0.305 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)C(C)(C)COC)[C@H]2C1 1114563058 SHIRSOUFHXQZQE-AVGNSLFASA-N 321.421 -0.157 30 20 DBED C#CCCN1C[C@H]2C(NC(=O)[C@H](CCC)S(N)(=O)=O)[C@@H]2C1 1114622164 YGRRCYBCJGSZQM-UTUOFQBUSA-N 313.423 -0.487 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)c3cnon3)[C@H]2C1 1114994290 KPBIQWTZIRWPPZ-GUBZILKMSA-N 305.338 -0.580 30 20 DBED COC[C@@H]1CCN(C(=O)C(=O)NC2CCN(CC#N)CC2)C1 1117280734 DKHNZEIBZIWEDN-GFCCVEGCSA-N 308.382 -0.415 30 20 DBED C#CCOCCNC(=O)C(=O)N1C[C@@H](C)O[C@@]2(CCOC2)C1 1117437290 XUJJAGAVMHECOE-DOMZBBRYSA-N 310.350 -0.841 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N[C@@H](COC)[C@@H]1CCCO1 1117544963 SMRYCWBAZSLKRR-WOPDTQHZSA-N 300.355 -0.386 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N[C@H]2CCN(C3CC3)C2)nn1 1118111013 PKUKRJJDGMAWNW-NSHDSACASA-N 318.381 -0.567 30 20 DBED Cn1ccc(C(=O)NC[C@H](CO)Nc2ccc(C#N)nn2)c1 1121295452 CRYNBPBICZDUJY-GFCCVEGCSA-N 300.322 -0.110 30 20 DBED Cn1cnc(C(=O)NC[C@H](CO)N=c2cc[nH]cc2C#N)c1 1121304373 WHLQFPJEMFVAGT-LLVKDONJSA-N 300.322 -0.689 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)c2ccnc(O)c2)nn1 1121309970 CDESMGKTWHAXIA-LLVKDONJSA-N 314.305 -0.348 30 20 DBED O=C(C#CC1CC1)NC[C@H](CO)N=c1ccc2ncc[nH]c-2n1 1121438882 APDXUOFJLAABNO-GFCCVEGCSA-N 311.345 -0.299 30 20 DBED C#CCN1CCC(C(=O)NC[C@H](CO)Nc2ncccn2)CC1 1121649451 ITDCLJLSXUHBPS-CQSZACIVSA-N 317.393 -0.289 30 20 DBED CCc1nc[nH]c1C(=O)NC[C@H](CO)N=c1cc[nH]cc1C#N 1121874687 ISKIFMPKDDUGBQ-LLVKDONJSA-N 314.349 -0.137 30 20 DBED C[C@@]1(C(=O)NC[C@H](CO)N=c2cc[nH]c(C#N)n2)CCOC1 1121914605 PNJMHCYKHDIDFE-QMTHXVAHSA-N 305.338 -0.914 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H](CO)Nc1ncnc2c1CCC2 1122037106 UCTUWYYGDOMEBP-RYUDHWBXSA-N 318.377 -0.107 30 20 DBED Cc1c[nH]c(C(=O)NC[C@@H](CO)N=c2cc[nH]c(C#N)n2)n1 1122688031 NKTRDEIOCZATMI-VIFPVBQESA-N 301.310 -0.996 30 20 DBED CN(C[C@H](O)CNc1cnc(C#N)cn1)C(=O)c1cncn1C 1124592861 RPKJBGDJKNDGQB-LLVKDONJSA-N 315.337 -0.373 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)CCOCC 1124723350 SODNHBUNKMTKPM-LLVKDONJSA-N 314.386 -0.481 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)c2ccc(C#N)[nH]2)C1=O 1125783081 NBZSEIIHBOTFPF-ZDUSSCGKSA-N 301.350 -0.007 30 20 DBED C[C@H](NC(N)=O)C(=O)NCCNCc1ccc(C#N)cc1F 1126204683 USYIACDATMKSHS-VIFPVBQESA-N 307.329 -0.040 30 20 DBED C=C(Br)CNCCNC(=O)C[C@@H]1NC(=O)NC1=O 1129743042 DAGDURNRVUVXJR-ZETCQYMHSA-N 319.159 -0.801 30 20 DBED C#CCCN[C@@H]1CN(C(=O)c2[nH]cnc2C)C[C@@H]1n1ccnn1 1130158557 LLDCWVMQTLMUQX-OLZOCXBDSA-N 313.365 -0.012 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1cccc2ncnn12 1130903234 AARNXVHBEIFAIE-UHFFFAOYSA-N 302.338 -0.649 30 20 DBED C=C[C@](C)(O)CC(=O)N1C[C@H]2C[C@@H]3CN(CCO)C[C@]2(C1)O3 1131221111 ZEZSSXWWCVMOMV-LUYZLQTOSA-N 310.394 -0.393 30 20 DBED CNC(=O)C1(C(=O)N2C[C@H]3C[C@@H]4CN(CC#N)C[C@]3(C2)O4)CC1 1131276966 QBPQGSQDOOGKQJ-XHBSWPGZSA-N 318.377 -0.662 30 20 DBED C[C@@H]1CC[C@H](NC(=O)c2cn(C)nn2)CN1CC(=O)NCC#N 1132037928 KXZCSKQNGKYTSE-MNOVXSKESA-N 319.369 -0.962 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@@H]1CCCc2cccnc21 1132733966 QJYDCULEPJFIGH-CQSZACIVSA-N 314.389 -0.043 30 20 DBED C=C[C@](C)(CC)C(=O)NCCNCC(=O)N1CCNC(=O)C1 1133378397 DZGFXUKFWHCOGA-OAHLLOKOSA-N 310.398 -0.747 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)c1cnc(C)[nH]1 1133916286 FWANKVHTIQIBCH-MNOVXSKESA-N 305.382 -0.046 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)NCCNCC(=O)NC(C)C 1134816668 GRIFWAQNCIDAFV-CYBMUJFWSA-N 312.414 -0.312 30 20 DBED C[C@H]1Cc2cc(C(=O)NCCNCC(=O)NCC#N)ccc2O1 1135331842 ZWYGLCVPRZKVFM-NSHDSACASA-N 316.361 -0.031 30 20 DBED C[C@H](C[C@@H](C)NC(=O)CCNC(=O)c1cnccn1)NCC#N 1146452786 YDOMZJOXTAURFR-VXGBXAGGSA-N 318.381 -0.007 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC2(CN(C(=O)CC(C)(C)O)C2)C1 1147462320 ZXBORUBWSBJURW-CYBMUJFWSA-N 321.421 -0.180 30 20 DBED N#CCN1CCC2(C1)CN(C(=O)CNC(=O)N1CCCC1)C2 1147529987 DFNKMMNRYSVAMW-UHFFFAOYSA-N 305.382 -0.150 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC2(CCN([C@H](C)C(=O)NC)C2)C1 1147534435 HHJWSSKQTTZRFA-OLZOCXBDSA-N 307.394 -0.307 30 20 DBED C=CCNC(=O)CN1CCC2(C1)CN(C(=O)c1ccnnc1)C2 1148335522 YHGDBGAUJMUCAN-UHFFFAOYSA-N 315.377 -0.073 30 20 DBED C=CCCC(=O)NC[C@H]1CN(Cc2nnn(C)n2)CCCO1 1149331075 PLDDJOVZNZLXJW-LBPRGKRZSA-N 308.386 -0.117 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CN(Cc2ncnn2C)CCCO1 1149409815 VOGJDKZWLFMICB-RYUDHWBXSA-N 306.370 -0.318 30 20 DBED C#CCNC(=O)CN1CCCO[C@H](CNC(=O)c2cc[nH]c2)C1 1149737930 ANVLDMWFGIECLP-CQSZACIVSA-N 318.377 -0.415 30 20 DBED C#CCNC(=O)CNCCNC(=O)CN(C)c1ccccc1 1153309818 RVFCOCLXTDTSSW-UHFFFAOYSA-N 302.378 -0.422 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)c1cnc(OCC)cn1 1153752532 HYRNEERNLZKEHI-LLVKDONJSA-N 321.381 -0.115 30 20 DBED C[C@H](NCCCNC(=O)c1ccc(C#N)[nH]1)c1nnnn1C 1156690784 GTLYYFWJSPRLIW-VIFPVBQESA-N 302.342 -0.119 30 20 DBED C#CCNC(=O)CC(=O)NCCCNCc1nnc(CC)n1C 1156852947 RMYJQTXSMODRKS-UHFFFAOYSA-N 320.397 -0.887 30 20 DBED C#CCN1CCC(CNC(=O)[C@@H]2COC(=O)N2)(COC)CC1 1162242522 VLOBHTGTHOCPLO-LBPRGKRZSA-N 309.366 -0.427 30 20 DBED C=CCN1CCC(CNC(=O)c2nnn(C)n2)(COC)CC1 1162418604 FCFWXDHPEJGHHU-UHFFFAOYSA-N 308.386 -0.146 30 20 DBED C#CCCNCC1(CCNC(=O)[C@@H](C)NS(C)(=O)=O)CC1 1167328741 RSFJIGGMLJSIPL-GFCCVEGCSA-N 315.439 -0.177 30 20 DBED CCN(CC)CC(=O)NCCC1(CNCC(=O)NCC#N)CC1 1167486430 DBJNZDYIZUGVNZ-UHFFFAOYSA-N 323.441 -0.156 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)c2ncn(C)n2)[C@H]1C 1178632042 BPUPVHUGGARUCL-WOPDTQHZSA-N 318.381 -0.854 30 20 DBED CC(C)COCCC(=O)N1CC[C@@H](NCC(=O)NCC#N)C1 1181169531 UCTKGTKLTSEYRG-CYBMUJFWSA-N 310.398 -0.121 30 20 DBED C#CCNC[C@]1(C)CN(C(=O)CNS(=O)(=O)CC)C[C@H]1C 1181648675 YTAHWUPMFHGWAD-TZMCWYRMSA-N 315.439 -0.367 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2coc(CC)n2)C1 1182134194 JFEKOOKDGUSTDB-LLVKDONJSA-N 304.350 -0.210 30 20 DBED COCC#CCNC[C@H]1CCN(C(=O)CNC(C)=O)C[C@H]1C 1183762665 JMYPRPMYBCUBRZ-UKRRQHHQSA-N 309.410 -0.154 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@@H]1CN(C(C)=O)CC12CCOCC2 1186212457 LGVDYUYYUFZEHB-DZGCQCFKSA-N 321.421 -0.011 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)CNC(=O)C(C)(C)C)C1 1187772931 XIGPQIOWBKMSFB-GFCCVEGCSA-N 324.425 -0.359 30 20 DBED CN(CC(=O)NCC#N)[C@H]1CCN(C(=O)CCn2cccn2)C1 1188907091 UOIDRQBBYQDVKR-ZDUSSCGKSA-N 318.381 -0.554 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@@H](N(C)CC(=O)NC2CC2)C1 1190093745 ANGCZUPJSRCRIO-TZMCWYRMSA-N 307.394 -0.164 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)CCSCC)C1 1191307499 MDZWPSLEVWYLHC-VXGBXAGGSA-N 313.423 -0.960 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)CNC(=O)N2CCCC2)C1 1192863001 ZZLYCOUNCSLNCC-CHWSQXEVSA-N 310.398 -0.471 30 20 DBED C=CCOCCN(C)[C@@H]1CCN(C(=O)CCn2cnnn2)C1 1193027286 PBXUKFKLHADGTD-CYBMUJFWSA-N 308.386 -0.202 30 20 DBED CC#CCN(C)[C@H]1CCN(C(=O)[C@@H]2COCCN2C(C)=O)C1 1194126325 YQGGAUPZJUOKPR-GJZGRUSLSA-N 307.394 -0.210 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)c2ccnn2C)CC1 1195090070 XLGSAGIBQYZEIA-UHFFFAOYSA-N 305.382 -0.130 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)CCc2cn(C)nc2C)C1 1196623558 IYPHDZSQXCFGDE-HUUCEWRRSA-N 304.394 -0.154 30 20 DBED N#CCNC(=O)CNC1CCN(C(=O)c2ccnc(O)c2)CC1 1200070686 JULBJYHNPCVDLN-UHFFFAOYSA-N 317.349 -0.379 30 20 DBED CCN1CCOC[C@@H]1C(=O)N1CCCO[C@@H](CNCC#N)C1 1200859599 OEYZQAPUPFKZBY-UONOGXRCSA-N 310.398 -0.562 30 20 DBED C#CCNC[C@@H]1CN(C(=O)[C@H](CC(C)C)C(N)=O)CCCO1 1202249739 DPJAGBIHEOAVAD-ZIAGYGMSSA-N 309.410 -0.026 30 20 DBED C#CCCNC1CCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)CC1 1202771633 JEAKJQNZZCAIKF-UHFFFAOYSA-N 320.349 -0.989 30 20 DBED COCC(=O)N(C)CC(=O)N[C@H]1C[C@@H](NCC#N)C12CCC2 1203004284 GVJCJYBDVXWHBU-NEPJUHHUSA-N 308.382 -0.368 30 20 DBED CC#CCN1C[C@@H](NC(=O)CCNS(C)(=O)=O)[C@H](C)C1 1207297285 BXPXEBPUOGXGQU-VXGBXAGGSA-N 301.412 -0.615 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)[C@@H]2[C@H]3COC[C@H]32)[C@H](C)C1 1208376448 FWYSCBHBOVSHOC-VVSAWPALSA-N 307.394 -0.383 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)CN(C)CCC)[C@H](C)C1 1210528935 NPPRTCNRJMQFDG-QLFBSQMISA-N 322.453 -0.097 30 20 DBED CC#CCN1C[C@@H](NC(=O)C(C)(C)S(C)(=O)=O)[C@H](OC)C1 1213520733 VGAJDVJOYURHFD-VXGBXAGGSA-N 316.423 -0.352 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)CC(=O)NCC)C[C@H]1C 1214484094 ZEBZZPZJMDGRFA-FRRDWIJNSA-N 322.409 -0.913 30 20 DBED C=CCCO[C@@H](C)C(=O)N[C@@H]1CN(CCOCCO)C[C@@H]1O 1219313183 XTQKQYNTIRAMFS-MJBXVCDLSA-N 316.398 -0.862 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CN(CC(=O)N2CCCCC2)C[C@@H]1O 1219589858 LUEUBXUSEACDIH-CABCVRRESA-N 319.405 -0.426 30 20 DBED C=C(C)CCC(=O)N[C@@H]1CN([C@@H](C)C(=O)NC(N)=O)C[C@@H]1O 1219720621 TXRLHBUREIOTJU-AXFHLTTASA-N 312.370 -0.913 30 20 DBED C=C(C)C[C@H](C)C(=O)N[C@@H]1CN(CCOCCO)C[C@@H]1O 1220201626 WHECRAFLUIUBIC-MJBXVCDLSA-N 300.399 -0.241 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)CNC(=O)c2ccco2)C1 1220905323 KBBJUMOMQNDYQJ-NEPJUHHUSA-N 305.334 -0.806 30 20 DBED CNC(=O)NC(=O)[C@H](C)N1CCC(CNC(=O)[C@H](C)C#N)CC1 1222664513 VTHXARZPDYMXPB-MNOVXSKESA-N 323.397 -0.182 30 20 DBED CCOCCNC(=O)CN1CCC(NC(=O)[C@@H](C)C#N)CC1 1226617854 PZKPXDNBXBVRFA-LBPRGKRZSA-N 310.398 -0.121 30 20 DBED C=C[C@@](C)(O)CC(=O)NC1CCN(Cc2nnnn2C)CC1 1227113562 DWAAXAOSXQCRHT-CQSZACIVSA-N 308.386 -0.382 30 20 DBED COCC#CCN1CCC(NC(=O)[C@H](C)S(C)(=O)=O)CC1 1228014444 GAWOBFMLQGHERR-LBPRGKRZSA-N 316.423 -0.350 30 20 DBED C=CCOCC(=O)N(C)C[C@@H]1CCN1CCNS(C)(=O)=O 1231241844 ZYFCUEABBGTQKV-LBPRGKRZSA-N 319.427 -0.729 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)Cc1cnc(C)o1 1235300661 AUWZCYURKFDDDB-ZDUSSCGKSA-N 318.377 -0.192 30 20 DBED C[C@H](CO)[C@@H]1CCCCN1C(=O)C(=O)N1CCO[C@H](C#N)C1 1261625264 NNKZJGXWVISZGF-UPJWGTAASA-N 309.366 -0.253 30 20 DBED CC[C@H](C)NC(=O)[C@@H](C)NC(=O)C(=O)Nc1cnn(CC#N)c1 1319553752 NKWVLWSTEXXMLE-VHSXEESVSA-N 320.353 -0.235 30 20 DBED CN1C[C@H](NC(=O)C(=O)Nc2ccc(OCC#N)cc2)CC1=O 1322339145 NWGWGYOGROSNST-LLVKDONJSA-N 316.317 -0.126 30 20 DBED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NCCCO)n1 1323890996 FMOODJIXOKNARN-UHFFFAOYSA-N 314.305 -0.424 30 20 DBED CCn1nc(C)c(CNC(=O)C(=O)N2CCO[C@@H](C#N)C2)c1C 1324295874 DICZWHKJMFCUDU-LBPRGKRZSA-N 319.365 -0.113 30 20 DBED C=C[C@H](COC)NC(=O)N1CCC(S(=O)(=O)NC)CC1 1324951572 HABIZNKFKAPQEX-SNVBAGLBSA-N 305.400 -0.089 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N1CCN(CCOC)CC1 1325276245 YKUOJUQBPBMFQS-UHFFFAOYSA-N 305.378 -0.738 30 20 DBED CCCN1CCCN(C(=O)C(=O)N2CC[C@](F)(C#N)C2)CC1=O 1325395433 RGSZHKOADWYOBH-HNNXBMFYSA-N 324.356 -0.079 30 20 DBED C=CCCn1cc(C(=O)N2CCNC[C@@H]2C(=O)OCC)nn1 1326275904 OJJWULSMNVMOBI-GFCCVEGCSA-N 307.354 -0.169 30 20 DBED COCC#CC(=O)N1CCC(n2cc(C(=O)OC)nn2)CC1 1328352223 ZGBJBXBUNBZUMA-UHFFFAOYSA-N 306.322 -0.122 30 20 DBED COC(=O)[C@]1(C)CCN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)C1 1328427117 RMTPRISVAFMIAK-HUUCEWRRSA-N 323.349 -0.725 30 20 DBED C#CCN(C)C(=O)C(=O)N1CCC([C@@H](O)c2ccnn2C)CC1 1328554901 ICEYRFSCMXSXMS-CQSZACIVSA-N 318.377 -0.216 30 20 DBED C#CC1CCN(C(=O)C(=O)N[C@H]2CCC[C@H]2C(=O)NC)CC1 1329354131 ZVUMGBSNCGWJFN-OLZOCXBDSA-N 305.378 -0.111 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCN(CC)C1=O 1329957384 JXMACMITGUAPCE-UPJWGTAASA-N 323.393 -0.179 30 20 DBED C=CCN(C)C(=O)C(=O)N1CCC[C@H](NS(C)(=O)=O)C1 1330385170 KOLOHFPVCVJIKC-JTQLQIEISA-N 303.384 -0.829 30 20 DBED N#C[C@H]1CCCN(C(=O)C(=O)N2CC[C@@H](N3CCCC3=O)C2)C1 1335634279 YRHOBPIGCQSTBI-CHWSQXEVSA-N 318.377 -0.028 30 20 DBED N#Cc1cn(CCC(=O)N2CCC3(C2)OCCO3)c(=O)nc1O 1362218020 DHIIEOSJGZJDDW-UHFFFAOYSA-N 320.305 -0.814 30 20 DBED C[C@H](C(=O)NCCn1cc(C#N)c(O)nc1=O)n1ccnc1 1363284480 DBMGJEZKKLIZTQ-SECBINFHSA-N 302.294 -0.606 30 20 DBED C[C@@H](C(=O)N(C)C)S(=O)(=O)NCC1(C#N)CCOCC1 1364062226 NBASGYVNOJIODT-JTQLQIEISA-N 303.384 -0.297 30 20 DBED CC[C@H](CNS(C)(=O)=O)NC(=O)Nc1nn(C)cc1C#N 1365489394 UUUZLESTQIUPGS-SECBINFHSA-N 314.371 -0.259 30 20 DBED C=C(Cl)CN(C)CCN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 1374538658 JFYIJRYLZBGHJA-VIFPVBQESA-N 302.762 -0.273 30 20 DBED CCC(=O)NCC(=O)N[C@@H](C)CNC(=O)c1ccc(C#N)[nH]1 1386718797 FVYBKYBRLVVPAO-VIFPVBQESA-N 305.338 -0.353 30 20 DBED C[C@H](CCNC(=O)Cn1cncn1)NC(=O)c1cc(C#N)c[nH]1 1386777578 SYXHTVIWAFKKCN-SNVBAGLBSA-N 315.337 -0.197 30 20 DBED COCCn1nccc1C(=O)N1CC(NC(=O)[C@@H](C)C#N)C1 1387805499 GOLIPAHXFNSTBO-JTQLQIEISA-N 305.338 -0.370 30 20 DBED CCN(C(=O)Cn1ncnn1)[C@@H]1CCN(C(=O)[C@H](C)C#N)C1 1387978559 MBIHCJMUSBUMKT-GHMZBOCLSA-N 305.342 -0.718 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)CCc1cncnc1 1389101282 AMRAUCZLPQXDNW-CMPLNLGQSA-N 305.338 -0.838 30 20 DBED C[C@H](C(=O)N(C)C)N1CC(O)(CNC(=O)c2cc(C#N)c[nH]2)C1 1402320748 ROQUYXHBBFYXMI-SNVBAGLBSA-N 319.365 -0.860 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1C[C@@H](NC(=O)c2cnnc(O)c2)C1 1406610459 QCVMAMVJNPQENT-ATZCPNFKSA-N 303.322 -0.034 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](NC(=O)COCc2nncn2C)C1 1407148683 GPPGLFYTOPIEJJ-GHMZBOCLSA-N 320.353 -0.792 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCNC(=O)CNC(=O)N1CCCC1 1408569766 PGNUDGDPLVZXKR-NSHDSACASA-N 309.370 -0.474 30 20 DBED C[C@H](C#N)C(=O)N(C)C[C@H]1CCN(C(=O)Cn2ncnn2)C1 1408994148 TWLOSKOPPWDRSO-GHMZBOCLSA-N 305.342 -0.860 30 20 DBED N#Cc1ncn(CC(=O)NC2CCN(C3CCOCC3)CC2)n1 1418405817 MKVBRMKLERWLIZ-UHFFFAOYSA-N 318.381 -0.091 30 20 DBED C[C@H](C#N)C(=O)NC1CN(C(=O)[C@@H]2CCc3nnc(O)n3C2)C1 1430286488 BUOOHHVDQSMXQM-RKDXNWHRSA-N 318.337 -0.967 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCNC(=O)[C@H]1CCCS1(=O)=O 1431281145 JJDVVXSAYAYZOW-VHSXEESVSA-N 301.368 -0.702 30 20 DBED CS(=O)(=O)CC(=O)NC[C@H]1CCN1C(=O)c1cc(C#N)c[nH]1 1431996313 HMUUESNRURDSOA-SNVBAGLBSA-N 324.362 -0.738 30 20 DBED CC(=O)N1CC[C@@](C)(C(=O)NCC2CN(C(=O)[C@@H](C)C#N)C2)C1 1432479258 LGEDYUQRRBXJKQ-MEDUHNTESA-N 320.393 -0.021 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)c2nc3ncc(CCO)cn3n2)C1 1452240743 CCEQSHXPHIAOCF-CQSZACIVSA-N 316.321 -0.850 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@](C)(NC(=O)CCn2cnnn2)C1 1453878339 XFBGCGWMZHFKCK-MFKMUULPSA-N 305.342 -0.670 30 20 DBED CC(=O)NCC(=O)N(C)C[C@@H](C)NC(=O)c1c[nH]c(C#N)c1 1487695495 QBSINORSEBFSAV-SECBINFHSA-N 305.338 -0.401 30 20 DBED CC(=O)NCC(=O)N(C)C[C@H](C)NC(=O)c1c[nH]c(C#N)c1 1487695496 QBSINORSEBFSAV-VIFPVBQESA-N 305.338 -0.401 30 20 DBED COCCCNC(=O)[C@@H](C#N)C(=O)CCN1C(=O)CCC1=O 1524677827 QCQLRLWTAIDOOO-JTQLQIEISA-N 309.322 -0.613 30 20 DBED CO[C@H](C)C(=O)N(C)CCN1CCN(C(=O)[C@H](C)C#N)CC1 1530101555 CDCNIHFADJPJTF-CHWSQXEVSA-N 310.398 -0.216 30 20 DBED CC(C)c1nnnn1CC(=O)NCC1(NC(=O)[C@@H](C)C#N)CC1 1535491580 FIDSTANUJUQEJS-JTQLQIEISA-N 319.369 -0.279 30 20 DBED Cc1nnc(CC(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[nH]2)s1 1570919048 XTAQHRPZUVZJQJ-UHFFFAOYSA-N 316.310 -0.197 30 20 DBED N#Cc1c(-c2nn[nH]n2)nc(N)n1CC[S@](=O)C(F)(F)F 1570923297 XKMMZUYOMYGZGK-NRFANRHFSA-N 320.260 -0.214 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNc1ncccc1-c1nn[nH]n1 1573577419 PBSBYLRQDDKICO-RKDXNWHRSA-N 316.325 -0.690 30 20 DBED C[C@@]1(C#N)CN(S(=O)(=O)c2ccc(-c3nn[nH]n3)o2)CCO1 1575523837 FCVUSMROPQJVRX-LLVKDONJSA-N 324.322 -0.237 30 20 DBED C[C@@H](CN(C)CCCN(C)C)NC(=O)N[C@H]1CNC[C@H]1C#N 1579397283 PJLHPBUJDITNFW-MJBXVCDLSA-N 310.446 -0.331 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H](CNc2ncc(C(=O)O)cn2)C1 1589329357 LSRYZVKZNGQQLJ-KOLCDFICSA-N 319.321 -0.026 30 20 DBED C[C@H](CN=c1cc[nH]c(-c2nn[nH]n2)n1)NC(=O)C#CC1CC1 1591764028 UHEJBOOQEILLEU-SECBINFHSA-N 312.337 -0.591 30 20 DBED C#CCNC(=O)COC(=O)c1ccc(F)c(-c2nn[nH]n2)c1 1609021316 RLNKDTPMRLXNLN-UHFFFAOYSA-N 303.253 -0.088 30 20 DBED C[C@H]1CCN(S(=O)(=O)N(C)CCC#N)CCS1(=O)=O 1645720684 ZGDCALBVQODTFW-JTQLQIEISA-N 309.413 -0.414 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@@H](NC(=O)C2CCN(C)CC2)C1 1715005107 XOUYAALRLWYPIB-UKRRQHHQSA-N 320.437 -0.343 30 20 DBED C=C(C)CN1CC[C@@H](CNC(=O)C[C@H](NC(C)=O)C(N)=O)C1 1753135901 PUJWWCJFJUNNCP-STQMWFEESA-N 310.398 -0.619 30 20 DBED C=CCCN1CC(NC(=O)CN(C)S(=O)(=O)N(C)C)C1 1753377514 BXPYHPWYPMDCCI-UHFFFAOYSA-N 304.416 -0.899 30 20 DBED CC#CCNC[C@](C)(NC(=O)[C@@H](C)NS(C)(=O)=O)C1CC1 1753525266 VUKLBJHQXASMBQ-RISCZKNCSA-N 315.439 -0.178 30 20 DBED C[C@@H]1CN(C(=O)c2cc[nH]n2)CC[C@@H]1NCC(=O)NCC#N 1753751415 QJMJIDZLVMZLBP-MNOVXSKESA-N 304.354 -0.510 30 20 DBED C=CCNC1CCN(CCNC(=O)C2CC(=O)NC(=O)C2)CC1 1754850108 UNOLZPYHRXFZKC-UHFFFAOYSA-N 322.409 -0.605 30 20 DBED CC#CCN[C@H]1CN(C(=O)c2cn(C)c(=O)n(C)c2=O)C[C@H]1C 1755116757 UHLMRPYYACEMQY-YPMHNXCESA-N 318.377 -0.843 30 20 DBED COCC#CCN1C[C@H]2[C@H](CNC(=O)[C@H](COC)OC)[C@H]2C1 1755431788 MUVYUXVKGSXGNC-XQLPTFJDSA-N 310.394 -0.408 30 20 DBED C=CCOCC(=O)N1CCO[C@@H]([C@@H](C)NCc2cnon2)C1 1755439666 RXILYSVZRMBPRU-DGCLKSJQSA-N 310.354 -0.022 30 20 DBED C=CCNC(=O)CN(C)C[C@H](O)CN(C)C(=O)c1conc1C 1755805684 ZIIJDZOJNSUTCH-LBPRGKRZSA-N 324.381 -0.350 30 20 DBED CC#CCN1CC=C(CNC(=O)CN2CC(=O)N(C)C2=O)CC1 1755896077 GGAPQTLBPMMORX-UHFFFAOYSA-N 318.377 -0.348 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H](O)CN(C)C(=O)c1cnn(C)c1 1756649149 HBLJGCPZGGDKDM-AAEUAGOBSA-N 322.365 -0.993 30 20 DBED Cc1cnn(C)c1C(=O)NC[C@H](O)CN(C)C(=O)C#CC(C)C 1756663761 XWQJTCKPAQEVLY-ZDUSSCGKSA-N 320.393 -0.063 30 20 DBED CC(C)N(CCN(C)C(=O)C#CC1CC1)C(=O)Cn1ncnn1 1756695816 XXFQOXQMSXRSMR-UHFFFAOYSA-N 318.381 -0.218 30 20 DBED COC(=O)[C@@H]1CCCN1S(=O)(=O)N[C@@H](CCC#N)C(=O)O 1777110796 OCEIMMWFUSVJCC-IUCAKERBSA-N 319.339 -0.785 30 20 DBED N#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncon1)C2 1795420258 ABEOTAZBJQFLSF-PEGIJTEDSA-N 319.321 -0.423 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCNC(C)C 1795711631 IYBPXXVZKNWBQY-YWVIFJGQSA-N 307.394 -0.403 30 20 DBED CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800776003 PVAZEEFJLAZPQD-QHBPRCKVSA-N 308.334 -0.536 30 20 DBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)C(C)C)C2)C1 1839806668 VLZPBERJPNHTCH-GOEBONIOSA-N 324.377 -0.907 30 20 DBED C[C@@H](S)C(=O)N1CCCC12CN(C(=O)[C@@H](C)n1cnnn1)C2 1846371577 BEIXVAZSESOWFZ-NXEZZACHSA-N 324.410 -0.244 30 20 DBED CCn1cc(C#N)c(=O)n(CC(=O)N[C@@](C)(C#N)C(C)C)c1=O 10851781 QYIKFEXLXONWCY-HNNXBMFYSA-N 317.349 -0.044 30 20 DBED N#Cc1ccccc1CS(=O)(=O)NCC(=O)NCC(=O)O 35098161 KSEWBKJVAOCAHM-UHFFFAOYSA-N 311.319 -0.822 30 20 DBED N#CCCN(CCN1CCOCC1)C[C@@H](O)Cn1cccn1 81515424 VGZPWRIXVVDSTA-OAHLLOKOSA-N 307.398 -0.208 30 20 DBED C=CCN(C(=O)[C@@H]1CC(=O)N(C)C1)[C@@H]1CCS(=O)(=O)C1 98100939 UGOPCJJMDSIJPT-GHMZBOCLSA-N 300.380 -0.334 30 20 DBED CC(C)[C@@H](C#N)N1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 109266501 LLQTYVRUKPYFGT-LLVKDONJSA-N 321.341 -0.121 30 20 DBED Cn1c(=O)ccn(CC(=O)Nc2ccc(C#N)c(C#N)c2)c1=O 150772006 KDYFGNOYYFZDFZ-UHFFFAOYSA-N 309.285 -0.071 30 20 DBED C=CCNC(=O)CNC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 181634861 VFPUAZBPKXSJRT-MRVPVSSYSA-N 307.272 -0.184 30 20 DBED CS(=O)(=O)N[C@H]1CCCC[C@@H]1C/N=C(\N)N1CCOCC1 262686864 YQWYSRQFRTXGON-NEPJUHHUSA-N 318.443 -0.259 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(Cc2noc(C)n2)c1=O 264212895 UEUPMMQKQNOCKB-UHFFFAOYSA-N 305.294 -0.717 30 20 DBED COC[C@@](C)(C#N)NC(=O)CN1C(=O)NC2(CCCC2)C1=O 269569629 HZOKVIXNFNJALY-CYBMUJFWSA-N 308.338 -0.104 30 20 DBED C=CCN1CC[C@H](N(C)CC(=O)N2CCN(C(C)=O)CC2)C1=O 281455794 UZOBWXKEPXBFHV-AWEZNQCLSA-N 322.409 -0.604 30 20 DBED CCOCCNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 289974913 WJGLMLCNMJIOPQ-UHFFFAOYSA-N 311.363 -0.011 30 20 DBED CO[C@H]1C[C@@H](CN(C)/C(O)=N/[C@@H]2CCS(=O)(=O)C2)N(C)C1 328909662 DVCMECWSRLRVHQ-WOPDTQHZSA-N 319.427 -0.262 30 20 DBED O=C(C/N=C(/O)N1CCO[C@]2(CCOC2)C1)N1CCOCC1 329889937 FJBKRIPQVOXFKP-CQSZACIVSA-N 313.354 -0.750 30 20 DBED CCC/N=C(/O)NC(=O)CN1CCC[C@@H](S(C)(=O)=O)C1 330916455 ZZDFCOIKUZQADR-SNVBAGLBSA-N 305.400 -0.064 30 20 DBED CS(=O)(=O)c1ccc(C/N=C(/O)N2CCNC(=O)C2)s1 330938639 AKEFGCQLZZPSBI-UHFFFAOYSA-N 317.392 -0.003 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N2C[C@@H]3CC[C@H](O)[C@H]3C2)CCO1 336934341 DSFFHJNVUHBRSV-USZNOCQGSA-N 301.368 -0.842 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)NCc1nnnn1CC1CC1 336943633 LPMSRPUHRXQVIH-SECBINFHSA-N 313.387 -0.491 30 20 DBED CN(C[C@@H]1CCC[C@H]1O)S(=O)(=O)N1CCO[C@H](C#N)C1 336955397 YLRSYZVZYQZGEU-QJPTWQEYSA-N 303.384 -0.452 30 20 DBED C[C@H](CN1CCCC1=O)NC(=O)NCCn1cnc(C#N)n1 345011652 LGOVAYCXIJXZII-SNVBAGLBSA-N 305.342 -0.540 30 20 DBED C[C@H]1C[C@H](C)N(S(=O)(=O)CCCS(=O)(=O)NCC#N)C1 349480412 XHMGXDRGVONVCT-QWRGUYRKSA-N 323.440 -0.120 30 20 DBED C=CCSCCNC(=O)C(=O)N1C[C@H](C)O[C@@H](CO)C1 355290579 MRVZDGDPRJNZEY-WDEREUQCSA-N 302.396 -0.370 30 20 DBED C=C[C@@H](C)NC(=O)NCCNS(=O)(=O)Cc1ccon1 362378394 DWUHVLGFXIDARW-SECBINFHSA-N 302.356 -0.032 30 20 DBED CC[C@@H](NS(=O)(=O)N(C)CCC#N)C(=O)N1CCOCC1 437295537 UTUHKGSXKQNBGB-LLVKDONJSA-N 318.399 -0.696 30 20 DBED CO[C@H]1CN(C(=O)C(=O)Nc2ccn(CCC#N)n2)C[C@@H]1OC 488663246 QKBHGAVSEYKTGN-QWRGUYRKSA-N 321.337 -0.393 30 20 DBED C#CCNC(=O)CN1CCN(CC(=O)N2CCC[C@H](C)C2)CC1 491126867 SYXVITPGPHDFNA-HNNXBMFYSA-N 320.437 -0.388 30 20 DBED CC(C)(C#N)CCS(=O)(=O)NCC(=O)N1CCOCC1 574240539 KQDFLICMTIWFCY-UHFFFAOYSA-N 303.384 -0.296 30 20 DBED C=CCN1CC[C@@H](N(C)[C@H]2CCN(CCC(=O)OC)C2=O)C1=O 595472444 HCQAOLHOIGJGAT-OLZOCXBDSA-N 323.393 -0.131 30 20 DBED N#CCCN(CCC#N)C(=O)[C@@H]1CCCN(S(N)(=O)=O)C1 596892243 BYGRCYMAGLSBAN-LLVKDONJSA-N 313.383 -0.442 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N[C@@H]1CCS(=O)(=O)[C@@H]1C 599458144 QCBUUUPAEUDCJD-IVZWLZJFSA-N 309.413 -0.512 30 20 DBED COCCN(CCC#N)S(=O)(=O)NCC1(N(C)C)CC1 601450488 ZUSGDBKSHGJWOB-UHFFFAOYSA-N 304.416 -0.223 30 20 DBED C=C[C@H](O)C(=O)N(CCN(CC)CC)[C@H]1CCS(=O)(=O)C1 613013168 YIHTZEYRSWZMNJ-STQMWFEESA-N 318.439 -0.109 30 20 DBED CC(CS(C)(=O)=O)=NNC(=S)NCCN1CCOCC1 732527705 GUVQOEJPXWTNJY-UHFFFAOYSA-N 322.456 -0.797 30 20 DBED C[C@@H](C#N)COC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 770930015 OKWMVENDZBAAAY-VIFPVBQESA-N 319.321 -0.473 30 20 DBED C#CCN1CCC(C(=O)OCC(=O)N[C@@H](C)C(=O)N(C)C)CC1 772119105 CDVRHBWPJXRLOQ-LBPRGKRZSA-N 323.393 -0.532 30 20 DBED CN1CC[C@@H](C(=O)NS(=O)(=O)c2ccc(C#N)cc2)C1=O 773937989 KXPDPESWKLFFTL-NSHDSACASA-N 307.331 -0.159 30 20 DBED C=C[C@](C)(CCOC)C(=O)NS(=O)(=O)N1CCOCC1 783098347 MNPUJWBANQUBHE-GFCCVEGCSA-N 306.384 -0.092 30 20 DBED C#CCOCCNC(=O)NCCS(=O)(=O)NCC1CCC1 784314064 HBIPOSVWKIIVLR-UHFFFAOYSA-N 317.411 -0.345 30 20 DBED C#C[C@H](NC(=O)C(=O)NCCCn1cccn1)[C@H]1CCCO1 787053318 VIULWXMICXURHI-QWHCGFSZSA-N 304.350 -0.314 30 20 DBED C#C[C@H](NC(=O)C(=O)NC[C@@H]1CCN(C2CC2)C1)[C@H]1CCCO1 788776998 RLWJCKBGWLXJAY-AEGPPILISA-N 319.405 -0.116 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N1CC[C@@](C)(C(=O)NC)C1 797515137 NFMKIMHUCVXJPF-CYBMUJFWSA-N 317.411 -0.245 30 20 DBED C#CCC[C@@H](O)CNC(=O)CN1C(=O)NC2(CCCC2)C1=O 799077978 VPGBOXRJDZLPGU-LLVKDONJSA-N 307.350 -0.259 30 20 DBED COC[C@H](C)NC(=O)NC(=O)COC(=O)c1cccc(C#N)n1 811251903 WWKSZXXNKGJUEL-VIFPVBQESA-N 320.305 -0.029 30 20 DBED N#C[C@@H]1COCCN1S(=O)(=O)c1ccccc1-c1nn[nH]n1 826380786 MOYBUYBZFAPYFH-SECBINFHSA-N 320.334 -0.220 30 20 DBED C=C[C@@H]1OCC[C@H]1NC(=O)C1=CC=CN2CCS(=O)(=O)N=C12 834152749 FOTAVPFLCXSWHO-NEPJUHHUSA-N 323.374 -0.056 30 20 DBED Cc1cc(C(=O)N[C@@H]2CNC[C@H]2C#N)cc(S(N)(=O)=O)c1C 843461187 KKAQGXIDGHCLPA-VXGBXAGGSA-N 322.390 -0.208 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCC(CCN)CC1)[C@@H]1CCCO1 846330241 PHPMAORLCUBDRY-KBPBESRZSA-N 307.394 -0.129 30 20 DBED N#Cc1c(F)cccc1S(=O)(=O)N[C@]1(C(N)=O)CCOC1 848502696 WTRKDYZCKHHQLJ-GFCCVEGCSA-N 313.310 -0.380 30 20 DBED CCCN1CC[C@H](NC(=O)C(=O)Nc2cnn(CC#N)c2)C1 850683897 VKJBVOAHFXWWGE-NSHDSACASA-N 304.354 -0.054 30 20 DBED C#CCNC(=O)c1ccc(N2C[C@@H]3COC[C@]3(C(=O)O)C2)nc1 852910203 OAGOELUOOSIPIV-MLGOLLRUSA-N 315.329 -0.018 30 20 DBED Cn1cccc1C(=O)N1CCN(C(=O)NCC#CCO)CC1 923763264 XVCQDSFZKMLWAA-UHFFFAOYSA-N 304.350 -0.512 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)[C@H]3CCC(=O)N3)C2)[nH]1 939718752 LWHYMRNIGKGXED-GHMZBOCLSA-N 315.333 -0.504 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)c2cnsn2)C1 944499029 WUBVIMKNIOUPJE-BDAKNGLRSA-N 309.351 -0.345 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)C(N)=O)C[C@H]2C)cn1 945482231 CMVDIWICBUVHOA-ZWNOBZJWSA-N 314.345 -0.485 30 20 DBED N#Cc1cc(C(=O)N2CC[C@@H]2CNC(=O)[C@H]2C[C@H]2C(N)=O)c[nH]1 952162266 VEBCMAVWRAREFT-UTUOFQBUSA-N 315.333 -0.662 30 20 DBED N#Cc1cc(C(=O)N2CC[C@@H]3CCN(C(=O)C(N)=O)C[C@@H]32)c[nH]1 953450515 UBTNKNIDKQCDIX-CABZTGNLSA-N 315.333 -0.565 30 20 DBED COc1ncc(C(=O)N(C)C2CN(C(=O)[C@@H](C)C#N)C2)cn1 955205348 CMXWEWCANANCGM-VIFPVBQESA-N 303.322 -0.072 30 20 DBED C#CCN1CCC(C(=O)N2CCN([C@@H](C)C(=O)NC)CC2)CC1 957776538 LOXODTMSJDEVJE-AWEZNQCLSA-N 320.437 -0.390 30 20 DBED CC#CCN1C[C@@H](O)[C@H](CNC(=O)c2nnn(CC)c2CC)C1 958403242 BLVICPLLIWGNJQ-TZMCWYRMSA-N 319.409 -0.094 30 20 DBED CC#CCN1C[C@@H](O)[C@H](CNC(=O)C2CCN(C(N)=O)CC2)C1 958656892 AMAUIKHABFIBPG-ZIAGYGMSSA-N 322.409 -0.791 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C2=CCOCC2)C1 958830416 SWVRJPACONDPKY-WXHSDQCUSA-N 307.350 -0.477 30 20 DBED O=C(C#CC1CC1)N1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CCOC1 960111327 ODBFOZTVNWXQII-QLFBSQMISA-N 318.373 -0.126 30 20 DBED C#CCCN1CCN(S(=O)(=O)C2CN(C(=O)CC)C2)CC1 961061630 VUFCVABSIMPTCJ-UHFFFAOYSA-N 313.423 -0.422 30 20 DBED C=CCN1C[C@@H]2C(NC(=O)Cn3nc4ccccn4c3=O)[C@H]2C1 961412882 OUZXPROHUJSOKX-RYUDHWBXSA-N 313.361 -0.272 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1[C@@H]2CN(CC(=O)N(C)C)C[C@@H]12 961814095 LBPBLKAPVQMQBG-LPWJVIDDSA-N 307.394 -0.288 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1[C@@H]2CN(Cc3nnnn3C)C[C@@H]12 961828882 YUTGYOLZPXIWFT-KKOKHZNYSA-N 318.381 -0.652 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2CC23CCN(C(=O)C(N)=O)CC3)[nH]1 963637033 AUXQEFDORJUTGH-NSHDSACASA-N 315.333 -0.517 30 20 DBED N#CCNC1CC2(C1)CC(NC(=O)CN1CCOCC1=O)C2 963952892 WQJGLBBGPFUZAY-UHFFFAOYSA-N 306.366 -0.614 30 20 DBED Cc1nn[nH]c1C(=O)NC[C@@H]1COCCN1C(=O)C#CC1CC1 964291478 PLNFXVOIMXBOAC-GFCCVEGCSA-N 317.349 -0.516 30 20 DBED O=C(N[C@H]1COC2(C1)CN(C(=O)C#CC1CC1)C2)[C@@H]1CCOC1 965648590 ZWDYCZRAHNEQIT-ZIAGYGMSSA-N 318.373 -0.078 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H](CN(C)C(=O)c2nnn(C)n2)C1 967406551 CZAMDSGUOGNGLE-QWRGUYRKSA-N 319.369 -0.320 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CC(=O)N(C)C1 969188674 MBWGWBFMARRMRG-XQHKEYJVSA-N 318.377 -0.174 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)CCc3cnn[nH]3)C[C@H]21 974986641 KRAJRPWRWBTXGU-NQBHXWOUSA-N 316.365 -0.044 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H]2[C@H](NC(=O)[C@@H]3COC(=O)N3)[C@H]2C1 976432569 NFVBHSCSWBYUIU-ZRUFSTJUSA-N 307.350 -0.120 30 20 DBED CN(C[C@H]1CCN1C(=O)C#CC1CC1)C(=O)[C@H]1COCCN1C 977583253 ASJNRTHWKCRUAE-HUUCEWRRSA-N 319.405 -0.210 30 20 DBED C[C@@H](NCc1ccccc1C#N)[C@H]1CN(C(=O)C(N)=O)CCO1 979359715 NPFDTXMFNLOJJY-BXUZGUMPSA-N 316.361 -0.251 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCC[C@H](NC(=O)C(N)=O)C2)nn1 983607728 XPDZZHHWQDWMQL-ZJUUUORDSA-N 320.353 -0.893 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)[C@@H]2CCCN2C(=O)C2CC2)C1 991638270 BWFKWCBLMUZROU-GWCFXTLKSA-N 318.377 -0.126 30 20 DBED C=CCCN1CCC[C@H](NC(=O)c2cn(CC(N)=O)nn2)[C@@H]1C 994489160 SXIQEPCQPSKGQS-RYUDHWBXSA-N 320.397 -0.078 30 20 DBED CN(C)c1ccc(C(=O)NC2CN(C(=O)C#CC3CC3)C2)nn1 996508695 NYRNLFFREUXVRY-UHFFFAOYSA-N 313.361 -0.103 30 20 DBED N#Cc1cc(C(=O)N2CC(NC(=O)[C@@H]3CCC(=O)N3)C2)c[nH]1 997110225 LNLSQWMDHIVSCO-NSHDSACASA-N 301.306 -0.894 30 20 DBED CC(C)N1CCO[C@@H](C(=O)NC2CN(C(=O)[C@H](C)C#N)C2)C1 998130897 BTBLIXOXYQXFOF-DGCLKSJQSA-N 308.382 -0.418 30 20 DBED C=CCCn1cc(C(=O)N(C)C2CC(NCC(N)=O)C2)nn1 999540315 IAYQDDIQXGEUMI-UHFFFAOYSA-N 306.370 -0.468 30 20 DBED C#CCCN1CCC[C@@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)C1 1009095281 IKXDEOZUZBDIEO-GFCCVEGCSA-N 320.393 -0.079 30 20 DBED C[C@@H](NC(=O)c1nc[nH]n1)[C@@H]1CN(C(=O)C#CC2CC2)CCO1 1009697007 PIZLOPPCGDLUMS-PWSUYJOCSA-N 317.349 -0.436 30 20 DBED C=CCCn1cc(C(=O)N[C@@H]2CCN(C(=O)C(N)=O)[C@H]2C)nn1 1012022842 LZFUAOLVMRCXAG-VHSXEESVSA-N 320.353 -0.941 30 20 DBED C=CCn1cccc1C(=O)N1C[C@H](NC(=O)C(N)=O)C[C@H]1C 1012920638 BLFKGLYAVHQJIH-GHMZBOCLSA-N 304.350 -0.121 30 20 DBED N#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)C1CC2(C1)NC(=O)NC2=O 1018056812 BVOVJMCWNLXUDU-HTJOTKDVSA-N 317.349 -0.827 30 20 DBED C[C@H](C#N)C(=O)N1CCCO[C@@H](CNC(=O)c2cnn(C)c2)C1 1019526963 PSUPLWLNTGYXMM-YPMHNXCESA-N 319.365 -0.073 30 20 DBED O=C(NC[C@H]1CN(C(=O)C#CC2CC2)CCCO1)c1cnon1 1019655418 LISZUWIIPVWVJR-LBPRGKRZSA-N 318.333 -0.170 30 20 DBED C#CCN[C@@H]1CC[C@@H]2CN(C(=O)CN3CC(=O)N(C)C3=O)C[C@H]21 1026396464 DTHLJHOEXFXQLC-JHJVBQTASA-N 318.377 -0.660 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)c3ccnc(O)c3)C2)C1=O 1030210198 LNKADVHSLBHJLL-CYBMUJFWSA-N 316.361 -0.012 30 20 DBED C=C(Br)CN1CC(NC(=O)[C@H]2COC(=O)N2)C1 1030268517 BRECPUUAKVHDGA-MRVPVSSYSA-N 304.144 -0.196 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)c3n[nH]cc3F)C2)C1=O 1030907810 AAPKQDLOTYLSAG-LLVKDONJSA-N 307.329 -0.250 30 20 DBED C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cnc(O)n(C)c1=O 1032557334 PIZRUCVKNOQBRM-QWRGUYRKSA-N 304.350 -0.039 30 20 DBED C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)c1cn(C)c(=O)n(C)c1=O 1032661415 UXQIOTZGYGUKRI-RYUDHWBXSA-N 318.377 -0.441 30 20 DBED C#CCN[C@H]1CCN(C(=O)CCc2nnc(O)nc2O)C[C@H]1C 1036101269 ZVNXPHDFIWAYRZ-MNOVXSKESA-N 319.365 -0.325 30 20 DBED O=C(C#CC1CC1)NC[C@]1(O)CCN(C(=O)[C@@H]2CCCOC2)C1 1039676775 AKBCGTMVYVCHDN-RHSMWYFYSA-N 320.389 -0.094 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)Cc2ccnn2C)C1 1040760105 FNTIXQBUFDIMQY-NHYWBVRUSA-N 319.365 -0.798 30 20 DBED C[C@@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)Cc2cncn2C)C1 1040760154 MNTOYTOUWQHKEV-XHDPSFHLSA-N 319.365 -0.798 30 20 DBED Cc1ncc(C(=O)N[C@@H]2CN(c3ncccc3C#N)C[C@H]2O)[nH]1 1040952619 YAGZFFWBEVXOCP-CHWSQXEVSA-N 312.333 -0.036 30 20 DBED Cn1cncc1C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1O 1041227457 AVVKIJOKWNPPCK-ZYHUDNBSSA-N 313.321 -0.939 30 20 DBED CN1CCN(CC(=O)N2CC[C@]3(CCN(CC#N)C3)C2)CC1=O 1041421459 ILJJCLQBXAPJSY-INIZCTEOSA-N 319.409 -0.792 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(O)(CNC(=O)c2ccc[nH]2)C1 1041440243 LFOSRGBLRLLWSM-CQSZACIVSA-N 307.350 -0.355 30 20 DBED C#CCN1CC[C@]2(CCN(C(=O)CN3CC(=O)N(C)C3=O)C2)C1 1041786062 RMUYCRRPMRGDHR-INIZCTEOSA-N 318.377 -0.562 30 20 DBED C=CCN1CC[C@H]2CCN(C(=O)CN3CCNC(=O)C3)C[C@H]21 1042182983 HPRVTAYIBBGWIE-UONOGXRCSA-N 306.410 -0.473 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)Cc2cc(C)[nH]n2)C1 1042481218 LJBOUNDOMILWEU-UHFFFAOYSA-N 318.377 -0.246 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CN([C@H]2CCNC2=O)C1 1042742487 RIAFVIYYJLWBCX-RDBSUJKOSA-N 307.394 -0.001 30 20 DBED CO[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1NC(=O)[C@H]1CCCO1 1042749542 ZSXNIMONLSERHK-IJLUTSLNSA-N 317.349 -0.153 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(O)CN(C(=O)c2cc(C)on2)C1 1042808939 GBUAJLKBMZMYNY-AWEZNQCLSA-N 323.349 -0.387 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)CC2(C)CC2)C1 1043042653 SUSWWOZVIXOALO-LBPRGKRZSA-N 308.378 -0.096 30 20 DBED C=CCCOCC(=O)NCC1(O)CN(C(=O)c2nonc2C)C1 1043569967 FAGOKAQENNYQFT-UHFFFAOYSA-N 324.337 -0.726 30 20 DBED C=CCCOCC(=O)NCC1(O)CN(C(=O)c2ccn(C)n2)C1 1043570440 IKEJVYCTVZGGJO-UHFFFAOYSA-N 322.365 -0.684 30 20 DBED C[C@]1(C(=O)N[C@@H]2CN(c3ccnc(C#N)n3)C[C@@H]2O)CCOC1 1044144986 PPRYPCGJHMLISQ-ZETOZRRWSA-N 317.349 -0.559 30 20 DBED CC#CCN1CC(N(C)C(=O)c2nc(O)nc(O)c2OC)C1 1044182359 SHIUTSQPRFZRSQ-UHFFFAOYSA-N 306.322 -0.324 30 20 DBED C=C[C@H](CC)CC(=O)N1CC(O)(CNC(=O)[C@H]2CCNC2=O)C1 1044455456 DNHREESUSXMYHC-NEPJUHHUSA-N 323.393 -0.586 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCN(C(N)=O)C2)C1 1047449955 MMXOSXIGFRAQQN-AVGNSLFASA-N 310.398 -0.533 30 20 DBED C#CCN1C[C@H]2CN(C(=O)c3cnc(O)n(C)c3=O)C[C@H]2C1 1048975656 WYNWNMOSSVWMQM-PHIMTYICSA-N 302.334 -0.877 30 20 DBED C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)CN1CC(=O)N(C)C1=O 1049840805 ORAWQQXXSHKPET-QWHCGFSZSA-N 318.377 -0.421 30 20 DBED C=CCOCC(=O)N1CC[C@@H]([C@@H](C)NC(=O)CC(=O)NC)C1 1050298933 YZMKKKCDNCEAIL-VXGBXAGGSA-N 311.382 -0.322 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)[C@@H]1CCS(=O)(=O)N1)C2 1050758680 MTMVZYHFZOSEOD-LBPRGKRZSA-N 311.407 -0.764 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2COCCN2C[C@H](C)O)nn1 1051156686 WTHOYUAETOUESC-NWDGAFQWSA-N 309.370 -0.725 30 20 DBED CC#CCN1CCC[C@H](NC(=O)CN2CCN(C)C(=O)C2)CC1 1052501259 AXAKVNKKFYCQGL-HNNXBMFYSA-N 320.437 -0.246 30 20 DBED N#CCN1CC2(C1)CN(C(=O)c1cn3cccnc3n1)CCO2 1053327630 SCKXCHZGLNBSOK-UHFFFAOYSA-N 312.333 -0.220 30 20 DBED C#CCN1CC2(CC[C@@H](CNC(=O)[C@@H]3CCCN3C(N)=O)O2)C1 1053704921 RTKHYXIJTWZYRO-STQMWFEESA-N 320.393 -0.488 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)[C@H]3CCCS3(=O)=O)CO2)C1 1054012656 FVKCVZDADAWEIK-NWDGAFQWSA-N 312.391 -0.844 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1NCCN1CCNC1=O 1054657506 OEULGJJWNYYMAG-OCCSQVGLSA-N 304.394 -0.139 30 20 DBED C[C@@H]1CN(C(=O)Cn2nnc(-c3ccco3)n2)C[C@H]1NCC#N 1054837877 GZQVTVOBVJIJIE-GHMZBOCLSA-N 315.337 -0.107 30 20 DBED C[C@@H](C#N)C(=O)NC1CCN(CCNC(=O)c2ncc[nH]2)CC1 1055572739 ZMVZMEPZWWPGOE-NSHDSACASA-N 318.381 -0.120 30 20 DBED C#CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)c1cccnc1 1056808055 JWSSLGJJTYJNBO-ZDUSSCGKSA-N 319.361 -0.329 30 20 DBED CCO[C@H](C)C(=O)N(CCO)CCNC(=O)CSCC#N 1057058731 YDSWBQQYGMQMJT-LLVKDONJSA-N 317.411 -0.395 30 20 DBED C[C@@H]1[C@H](C(=O)NCCN(CCO)C(=O)C#CC2CC2)CCN1C 1057537629 IKVKLQVVMUWPHT-UKRRQHHQSA-N 321.421 -0.323 30 20 DBED C#CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)COC(C)C 1057583608 UWSSCLCELNZLLD-ZDUSSCGKSA-N 314.382 -0.613 30 20 DBED N#Cc1cnc(N2CCC(NC(=O)Cc3nc[nH]n3)CC2)cn1 1057900833 UKLXVTRODMDUKT-UHFFFAOYSA-N 312.337 -0.206 30 20 DBED N#Cc1ccc(N2CC[C@H](NC(=O)c3ccc(O)nn3)C2)nn1 1058288749 LMJNTRZPJQUMBE-JTQLQIEISA-N 311.305 -0.147 30 20 DBED CC(=O)N1CC(C(=O)N[C@H]2CCN(c3cncc(C#N)n3)C2)C1 1058336421 WGISDPOZTFBDCJ-LBPRGKRZSA-N 314.349 -0.479 30 20 DBED Cn1nnc(C(=O)N[C@H]2CCN(c3ncc(C#N)cc3F)C2)n1 1058516334 JZUUYQWYSZJMGF-VIFPVBQESA-N 316.300 -0.375 30 20 DBED CCn1nc(C)cc1C(=O)NCCN(CCO)C(=O)[C@H](C)C#N 1058659150 UITPTBZHFVHAEN-LLVKDONJSA-N 321.381 -0.078 30 20 DBED C=C[C@@](C)(CC)C(=O)N(CCO)CCNC(=O)c1nc[nH]n1 1058727981 HFIPXYRRQBTNJP-AWEZNQCLSA-N 309.370 -0.042 30 20 DBED N#Cc1cncc(N2C[C@@H]3CC[C@H](C2)N3C(=O)c2cnn[nH]2)n1 1058815575 GOFKFENRYXQYRC-PHIMTYICSA-N 310.321 -0.040 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)CN1CCC[C@H]1C 1058843946 PGCFGWNKONJWPF-QWHCGFSZSA-N 310.398 -0.433 30 20 DBED C=CCOCC(=O)NC[C@H]1COCCN1C(=O)c1cc(C)[nH]n1 1061421318 MVGZXBVSYBMFIK-LBPRGKRZSA-N 322.365 -0.122 30 20 DBED CC(C)C#CC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1CCC(=O)N1 1061566200 HUHOHSJDBALUTR-STQMWFEESA-N 321.377 -0.732 30 20 DBED C=CCCCC(=O)NC[C@H]1COCCN1C(=O)CNC(N)=O 1061828851 DWAVONYSVQWVQX-NSHDSACASA-N 312.370 -0.645 30 20 DBED C=C[C@](C)(O)CC(=O)NC1(CNC(=O)CNC(C)=O)CCC1 1062410236 JALHFCRGQPWYNC-AWEZNQCLSA-N 311.382 -0.395 30 20 DBED N#Cc1cncc(N2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CCNC2=O)n1 1062555560 IYJHCYIVKSGGAZ-SRVKXCTJSA-N 312.333 -0.726 30 20 DBED CN(C(=O)c1nnn(C)n1)[C@H]1CCN(c2nccnc2C#N)C1 1063012119 AWGVDQDXLAMEFT-VIFPVBQESA-N 313.325 -0.777 30 20 DBED N#Cc1nccnc1N1C[C@H]2C[C@H]1[C@@H]2NC(=O)C1=COCCO1 1064212368 LAUUSBZNVJTVIL-SUZMYJTESA-N 313.317 -0.070 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCCN(C(=O)CNC(N)=O)CC1 1066170016 ORYIEWYVTWMXPX-GFCCVEGCSA-N 324.381 -0.808 30 20 DBED C=CCCO[C@@H](C)C(=O)N1CCC[C@@H](NC(=O)C(N)=O)CC1 1066469457 BMRQTCFMNIKHDR-NWDGAFQWSA-N 311.382 -0.050 30 20 DBED N#Cc1nccnc1NCC1CC(NC(=O)[C@H]2COC(=O)N2)C1 1067845807 HRDNALWYIYOBMB-NWGYLPEXSA-N 316.321 -0.237 30 20 DBED CN1CCC[C@H]1C(=O)NCc1cnn2c1CN(CC#N)CC2 1069854855 BALBBOFIESQECM-ZDUSSCGKSA-N 302.382 -0.067 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2cnns2)C1 1069900210 SSMYANPDJXLIJT-ZJUUUORDSA-N 305.367 -0.029 30 20 DBED C=CCN[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@@H]1n1ccnn1 1070295065 KKPSBPSEBJHSCB-NEPJUHHUSA-N 302.342 -0.752 30 20 DBED Cn1nnc(C(=O)N[C@@H]2CCCN(C(=O)C#CC(C)(C)C)C2)n1 1070713375 POKSRPHKTAMIMX-LLVKDONJSA-N 318.381 -0.020 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)Cn4cccn4)C[C@@]3(C1)O2 1070758427 BFGLFUSEDVYXMT-IIAWOOMASA-N 300.362 -0.182 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)c4c[nH]c(=O)cn4)C[C@@]3(C1)O2 1070844914 PELMILBJUYYRAS-HWWQOWPSSA-N 314.345 -0.682 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)c2cnn(C)c2N)CC1 1070957720 SFAFWWZGXQWTPF-UHFFFAOYSA-N 320.397 -0.548 30 20 DBED C#CCN1CC[C@@]2(C1)CN(C(=O)CN1CCOCC1)C[C@@H](C)O2 1071157448 YWPTXXBYGKTWDM-NVXWUHKLSA-N 321.421 -0.356 30 20 DBED C#CCNC(=O)CC(=O)N1CCC(C)(NC(=O)[C@@H](C)C#N)CC1 1072962337 RBOKEOJIHDBNSC-LBPRGKRZSA-N 318.377 -0.217 30 20 DBED N#CCN1CCCO[C@H](CNC(=O)c2cccn3nnnc23)C1 1073616139 RVLUWNXHUPONPP-LLVKDONJSA-N 315.337 -0.531 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)[C@@H]2CCCN(C(N)=O)C2)C1 1073687542 UZICHMCZJISLSU-KGLIPLIRSA-N 322.409 -0.383 30 20 DBED C=CC(C)(C)C(=O)N1CCC(O)(CNC(=O)CC(N)=O)CC1 1074661289 QCTZERWVTGTNIL-UHFFFAOYSA-N 311.382 -0.456 30 20 DBED C=CCCC(=O)NCC[C@H](C)NC(=O)CS(=O)(=O)NC 1075885815 PGJMZOYNINAYGB-JTQLQIEISA-N 305.400 -0.487 30 20 DBED C#CCO[C@H](C)C(=O)NCC[C@H](C)NC(=O)C1(NC(N)=O)CC1 1076510201 GOOMDMAEVRQNJV-WDEREUQCSA-N 324.381 -0.763 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3nnc(O)n3C2)C1 1077257196 YVVKLCBFWPYBJC-QJPTWQEYSA-N 321.381 -0.717 30 20 DBED Cc1nn2cccnc2c1C(=O)N[C@@H]1CN(CC#N)C[C@H]1O 1078196741 PWAMIPXCLHZUNS-GHMZBOCLSA-N 300.322 -0.664 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H](C)CCNC(=O)Cn1cncn1 1078572659 NNGCAANBVPXFTK-RYUDHWBXSA-N 307.354 -0.673 30 20 DBED N#Cc1cc(C(=O)N2C[C@H]3CC[C@H]2[C@H](NCC(N)=O)C3)c[nH]1 1078924491 RXIMHVGDFWNRDF-BIMULSAOSA-N 301.350 -0.046 30 20 DBED CCN(C(=O)CCc1cnn(C)n1)C1CN(C(=O)[C@@H](C)C#N)C1 1080566550 XXXOISARTLDPHN-NSHDSACASA-N 318.381 -0.033 30 20 DBED C=C(C)CN1C[C@@H](NC(=O)CN2CCC(=O)NC2=O)[C@H](C)C1 1080733396 QRJNWSNWWXIFKU-VXGBXAGGSA-N 308.382 -0.059 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cnns2)C1 1081296944 DBLWYVSFBLSWOG-MNOVXSKESA-N 322.390 -0.109 30 20 DBED CC(C)C#CC(=O)N1C[C@H](CNC(=O)CC(C)(C)O)[C@@H](O)C1 1081447276 LWHLNVBCRKUVIB-STQMWFEESA-N 310.394 -0.258 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)C2=CCOCC2)C[C@H]1O 1081463326 LLUJZJDXIPGHAE-LSDHHAIUSA-N 320.389 -0.072 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)c2n[nH]cc2F)C[C@H]1O 1081465451 HJPXUVTUYSCVHI-CMPLNLGQSA-N 322.340 -0.243 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CCCN1C(C)=O 1083286655 WCPVQEBSCJZFAD-OWCLPIDISA-N 319.405 -0.068 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)Cn2c(C)csc2=O)C1 1084048857 NQTPCQSMXVDZKY-NEPJUHHUSA-N 311.407 -0.044 30 20 DBED C#CCN[C@@H]1CCCC[C@H]1NC(=O)Cn1ccc(O)nc1=O 1085262603 XHCPKJHGYCOROQ-VXGBXAGGSA-N 304.350 -0.401 30 20 DBED N#CCN[C@@H]1CCCCCN(C(=O)CN2CCNC(=O)C2)C1 1088358439 BXVQRSWHJBSRQG-CYBMUJFWSA-N 307.398 -0.697 30 20 DBED C#CCN1CC[C@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)[C@H]1C 1089021121 WIXLZDWXAMYEGI-MNOVXSKESA-N 306.366 -0.471 30 20 DBED C=C(Cl)CN1CC[C@H](NC(=O)Cc2n[nH]c(C)n2)[C@@H](O)C1 1090232933 CAOPJEALUXXXQM-QWRGUYRKSA-N 313.789 -0.040 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2cc3c(cn2)OCCO3)[C@H](O)C1 1090329718 LUQRGBDLQUEVHO-ZYHUDNBSSA-N 318.333 -0.459 30 20 DBED Cc1cc(=O)oc(C)c1C(=O)N[C@H]1CCN(CC#N)C[C@H]1O 1090416217 FXKMCYQCABZDBX-NWDGAFQWSA-N 305.334 -0.055 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2cn(C)ccc2=O)[C@@H](O)C1 1090421123 UEHPVFKITBVTQR-ZFWWWQNUSA-N 303.362 -0.426 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2cnc3nccn3c2)[C@H](O)C1 1090431456 YDYNOKHEPSABIR-VXGBXAGGSA-N 300.322 -0.582 30 20 DBED C=C1CC(C)(C(=O)N[C@H]2CCN(Cc3nnnn3C)C[C@@H]2O)C1 1090554115 VPUIHPPBFAZVCT-RYUDHWBXSA-N 320.397 -0.382 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2noc3c2COCC3)[C@H](O)C1 1090825198 XAUIPOBTWZRCQH-CHWSQXEVSA-N 319.361 -0.064 30 20 DBED N#CCSCC(=O)N[C@@H]1CN(c2ncc(F)cn2)C[C@@H]1O 1091071037 RLHVCKYQTWRSNJ-ZJUUUORDSA-N 311.342 -0.462 30 20 DBED N#Cc1nc(=NCCNC(=O)[C@H]2CCc3nccn3C2)cc[nH]1 1093958447 OXNTXXDZNGXBKJ-NSHDSACASA-N 311.349 -0.243 30 20 DBED C#CCN1CCN(C(=O)[C@@H](CC)OC)[C@@H]2CS(=O)(=O)C[C@@H]21 1094614400 FCRZYJLBFBTDPY-YNEHKIRRSA-N 314.407 -0.646 30 20 DBED C#CCN1CCN(C(=O)c2ccnnc2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094663025 ILMYEPBANZQOKC-QWHCGFSZSA-N 320.374 -0.967 30 20 DBED C=CCCN1CC(N2C[C@H](NC(=O)[C@H]3CCC(=O)N3)CC2=O)C1 1094717378 JAKKJQYIJDGFCI-DGCLKSJQSA-N 320.393 -0.758 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)c3ccnc(O)c3)CC2=O)C1 1094724425 UKNVEGOIXOBTPS-GFCCVEGCSA-N 314.345 -0.565 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)c3ccnnc3C)CC2=O)C1 1094753458 LINKJKMKQYITHP-LBPRGKRZSA-N 313.361 -0.567 30 20 DBED C[C@@H](CC(N)=O)C(=O)N[C@@H]1CCN(c2cnc(C#N)cn2)C1 1096457152 FKCNXOOAQMHKEM-VHSXEESVSA-N 302.338 -0.445 30 20 DBED CC[C@H](NC(C)=O)C(=O)N[C@@H]1CCN(c2nccnc2C#N)C1 1096485367 HMPRDYOJWXQVLL-NEPJUHHUSA-N 316.365 -0.042 30 20 DBED N#Cc1cnc(N[C@H]2CCN(C(=O)CNC(N)=O)C2)c(F)c1 1096916765 TXBUXDYJGHKYGM-VIFPVBQESA-N 306.301 -0.227 30 20 DBED N#Cc1cnc(N2CCCC[C@@H]2CNC(=O)CC(N)=O)cn1 1097402051 XBRCZCLIBQRJPC-LLVKDONJSA-N 302.338 -0.301 30 20 DBED C[C@H](CNC(=O)CCN1CCOCC1)Nc1cnc(C#N)cn1 1097945328 KLZVETDAENFVPB-GFCCVEGCSA-N 318.381 -0.013 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1C)Nc1nccnc1C#N 1098200532 YWAOFDKTLPOQTN-ONGXEEELSA-N 302.338 -0.114 30 20 DBED N#CCNCc1cn([C@H]2CCN(C(=O)c3cccnn3)C2)nn1 1098751515 OBZOJCZIZABAJM-LBPRGKRZSA-N 312.337 -0.232 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)C=C2CCC2)[C@@H](O)C1 1099764643 YGMUZKFRTTVUSX-KGLIPLIRSA-N 305.378 -0.603 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2CCN(CCOCCO)C[C@H]2O)[nH]1 1099774784 DQGJOXXECNCICD-GXTWGEPZSA-N 322.365 -0.940 30 20 DBED C#CCN1CC[C@H](NC(=O)CS(=O)(=O)CC(C)C)[C@@H](O)C1 1099894823 QSMDJFHHPKNWLV-STQMWFEESA-N 316.423 -0.758 30 20 DBED N#CCN1CC[C@@H](NC(=O)CCCn2ccccc2=O)[C@@H](O)C1 1099944259 KYSOMLYIVLEXPD-KGLIPLIRSA-N 318.377 -0.297 30 20 DBED O=C(CC#Cc1ccccc1)N[C@@H]1CCN(CCO)C[C@@H]1O 1100122852 XMFVFVIERLNWBC-CVEARBPZSA-N 302.374 -0.028 30 20 DBED CN(CCNC(=O)CCCn1ccnn1)c1cnc(C#N)cn1 1100178867 BNDUPQZFIMNOIQ-UHFFFAOYSA-N 314.353 -0.027 30 20 DBED C#CCO[C@H](C)C(=O)NCC1CC(NCCN2CCNC2=O)C1 1100322864 WTQOKUFMDNHIJC-IYXRBSQSSA-N 322.409 -0.466 30 20 DBED CCC(=O)N[C@@H](C)C(=O)NCCN(C)c1nccnc1C#N 1100377012 JHGCWVGIAFCXNQ-JTQLQIEISA-N 304.354 -0.185 30 20 DBED C=CCNC(=O)CNC1CC(CNC(=O)[C@@H]2CCC(=O)N2C)C1 1100581344 AKSMIOPKDLQTTD-BPCQOVAHSA-N 322.409 -0.606 30 20 DBED CNC(=O)C1(C(=O)NCC2CC(NCC#CCOC)C2)CC1 1100754919 RDEIKYIYASQASF-UHFFFAOYSA-N 307.394 -0.353 30 20 DBED COCCOCC(=O)NC[C@@H]1CCN(c2cnc(C#N)cn2)C1 1100950669 XNODFRCQIYKCNA-LBPRGKRZSA-N 319.365 -0.046 30 20 DBED C=CCOCC(=O)NCCN(c1ccc2nnnn2n1)C1CC1 1101303039 RNMSHJNSLZRSGA-UHFFFAOYSA-N 317.353 -0.193 30 20 DBED C=CCN1CC[C@H](N2C[C@@H](C)[C@H](CNC(=O)CC(N)=O)C2)C1=O 1101838804 UIWRDDUGJSPABQ-UPJWGTAASA-N 322.409 -0.667 30 20 DBED CNC(=O)NCC(=O)NCC[C@@H]1CN(CC#CCOC)C[C@H]1C 1103058977 SQKUPUQSPHBDAP-ZIAGYGMSSA-N 324.425 -0.361 30 20 DBED Cc1cc(=NC[C@@H](C)CNC(=O)[C@@H]2COC(=O)N2)c(C#N)c[nH]1 1103945179 LZPLEBVZPSNENA-RNCFNFMXSA-N 317.349 -0.044 30 20 DBED C#CCNCc1cn(C2CN(C(=O)C3=COCCO3)C2)nn1 1105141926 DEAXXBSDGPMPFO-UHFFFAOYSA-N 303.322 -0.728 30 20 DBED Cn1nccc1C(=O)N1CC(n2cc(CNCC#N)nn2)C1 1105181279 GOUHYQFTMKYOFK-UHFFFAOYSA-N 300.326 -0.678 30 20 DBED CNC(=O)[C@H](C)NCc1cn(C2CN(C(=O)[C@@H](C)C#N)C2)nn1 1105189652 JEWHQXTYMBUTHC-UWVGGRQHSA-N 319.369 -0.955 30 20 DBED CN1CCO[C@H](C(=O)N(C)CCN(C)c2cnc(C#N)cn2)C1 1105355049 CJYXNWZVJVGTAY-ZDUSSCGKSA-N 318.381 -0.427 30 20 DBED CC(C)CO[C@H](C)C(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1 1105727369 MJZZNTVNJRMHQH-NEPJUHHUSA-N 321.381 -0.280 30 20 DBED CCn1nncc1C(=O)NC[C@H](O)CNc1ncccc1C#N 1105822274 MSMACAIWGXXRPR-LLVKDONJSA-N 315.337 -0.233 30 20 DBED CCn1cccc1C(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1 1105856006 LVYHTYKOLFZZCW-NSHDSACASA-N 314.349 -0.206 30 20 DBED C[C@@H]1CCN(CC(=O)NC[C@@H](O)CNc2cncc(C#N)n2)C1 1106104069 GZUYPNKAMHKZFG-YPMHNXCESA-N 318.381 -0.421 30 20 DBED C=CCNC[C@@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@H]1C 1106150965 JPZGZHDAODXBCC-GHMZBOCLSA-N 306.370 -0.753 30 20 DBED C[C@H](CCNc1nccnc1C#N)NC(=O)[C@H]1CCNC1=O 1106515815 MMEOVLLHKBSXNW-ZJUUUORDSA-N 302.338 -0.209 30 20 DBED C[C@@H](CCNc1ccc(C#N)cn1)NC(=O)[C@H]1CNC(=O)N1 1106542321 DMOVJKVUECQGLO-GXSJLCMTSA-N 302.338 -0.059 30 20 DBED CCN(CCNc1nccnc1C#N)C(=O)C1(C(N)=O)CC1 1106943041 NTQMIZFNRDVLNZ-UHFFFAOYSA-N 302.338 -0.126 30 20 DBED C=CCOCC(=O)NC/C=C/CNc1ccc2nnnn2n1 1107075222 OOGRJBFUIPPZIA-ONEGZZNKSA-N 303.326 -0.194 30 20 DBED N#Cc1ccc(NC/C=C\CNC(=O)[C@@H]2CCNC(=O)C2)nn1 1107122040 KOCLOOKLHKHXCB-RFMOXSJOSA-N 314.349 -0.041 30 20 DBED C[C@H](CNc1cnc(C#N)cn1)NC(=O)[C@H]1CCCS1(=O)=O 1107772593 DPQVGXRGQWSPSK-MWLCHTKSSA-N 323.378 -0.158 30 20 DBED C[C@H](CN=c1cc[nH]cc1C#N)NC(=O)[C@H]1CCN(C)C1=O 1108071523 JRIVXXZUZMXGFW-ZYHUDNBSSA-N 301.350 -0.230 30 20 DBED CC[C@H](F)C(=O)NC[C@@]1(C)CN(CC(=O)NCC#N)CCO1 1108121922 JBRKLZSAKNLKLC-FZMZJTMJSA-N 314.361 -0.419 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H](C)CN=c1cc[nH]c(C#N)n1 1108195244 SRNYMVFEXHSBCN-OLZOCXBDSA-N 312.377 -0.216 30 20 DBED C#Cc1ccc(C(=O)NC[C@]2(C)CN(CCO)CCO2)cn1 1108350817 BUYPUWMKRMBVTI-MRXNPFEDSA-N 303.362 -0.124 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC(N2C[C@@H](NC(=O)CC)CC2=O)C1 1108490800 AKEIWDNWWIKCPM-NEPJUHHUSA-N 322.409 -0.512 30 20 DBED C#CCCN1CC(N2C[C@@H](NC(=O)COC(C)C)CC2=O)C1 1108520449 UHQDXPBHPFNXJX-ZDUSSCGKSA-N 307.394 -0.164 30 20 DBED C[C@@H](CNc1nccnc1C#N)NC(=O)C1CS(=O)(=O)C1 1108547654 OGRWGDPAKREULC-QMMMGPOBSA-N 309.351 -0.691 30 20 DBED C[C@H](CN(C)c1cncc(C#N)n1)NC(=O)[C@H]1COCCO1 1108872490 FVZFTZUUEQEBQQ-ZYHUDNBSSA-N 305.338 -0.295 30 20 DBED Cc1nsc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)CNC(N)=O)c1C#N 1109680002 SFIXYVVFFAUMBU-HDBBIHSSSA-N 320.378 -0.315 30 20 DBED N#Cc1ccc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)CCn2cncn2)nn1 1109681247 OIZHJDXOVHFYSB-IFUGULHKSA-N 324.348 -0.277 30 20 DBED Cc1cc(=NC2(CNC(=O)c3nnn(C)n3)CC2)c(C#N)c[nH]1 1110298198 JUCQAUWJNYJOKD-UHFFFAOYSA-N 312.337 -0.418 30 20 DBED C=CCOCCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cn1ncnn1 1110566685 FUNZVBNZSZADNK-UPJWGTAASA-N 306.370 -0.403 30 20 DBED N#Cc1nc(=NCCN(CCO)C(=O)c2cscn2)cc[nH]1 1111438427 XKHCYLGPTMECTH-UHFFFAOYSA-N 318.362 -0.227 30 20 DBED C[C@@H]1C[C@H](NC(=O)CC(N)=O)CCN1c1cncc(C#N)n1 1112461897 FWDSCWDQWGTWBB-NXEZZACHSA-N 302.338 -0.303 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(c2ncccn2)C[C@H]1O 1112738911 SVMHUCBYBVDUAS-CHWSQXEVSA-N 304.350 -0.570 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)Cc2cncnc2)CC1 1112803928 BRGSVXNQXDNFTP-CYBMUJFWSA-N 317.393 -0.146 30 20 DBED C#CCCCC(=O)N1CCN(CCNS(=O)(=O)CC)CC1 1112809863 VBQOXMGEYNHGBT-UHFFFAOYSA-N 315.439 -0.127 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)[C@H](CC)NC(C)=O)CC1 1113368487 MGMAAYKCZZDQFQ-JSGCOSHPSA-N 322.409 -0.817 30 20 DBED C=CCN1CC[C@H](N2CCN(C(=O)CC(=O)N(C)C)CC2)C1=O 1113414040 CZPRAGNEYPBHSO-ZDUSSCGKSA-N 322.409 -0.604 30 20 DBED Cc1cc(C#N)nc(N(C)[C@H](C)CNC(=O)[C@H](C)NC(N)=O)n1 1113577786 LAVVXQPAXNYHJY-ZJUUUORDSA-N 319.369 -0.346 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)[C@@H]2CCN(C)C2)CC1 1113631949 QFIVCKQWTUPEIL-UONOGXRCSA-N 306.410 -0.780 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)C3CC3)[C@H]2C1 1113765899 YUBVOODUEVEUBI-FTYKPCCVSA-N 320.393 -0.157 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)C3=COCCO3)[C@H]2C1 1113807055 RPLYSQCCRXUWPC-SRVKXCTJSA-N 321.377 -0.388 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3cncs3)[C@H]2C1 1113945507 VBWPWUZORSWZPR-IWIIMEHWSA-N 304.375 -0.448 30 20 DBED C#CCOCCC(=O)NC1[C@H]2CN(CC(=O)NCC(C)C)C[C@H]12 1114267983 CPNGUJTXMZMKKO-KBPBESRZSA-N 321.421 -0.155 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)[C@H](C)S(C)(=O)=O)[C@H]2C1 1114475558 XDIDDTVNSDOJAQ-WUHRBBMRSA-N 314.407 -0.884 30 20 DBED C[C@H](CCCN=c1cc[nH]cc1C#N)NC(=O)[C@H]1CNC(=O)N1 1115062206 NTIWLFUFFPXAKH-ZWNOBZJWSA-N 316.365 -0.247 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)NCC2(N)CCC2)CCN1C1CC1 1119294069 LNJDSZZCJIJLET-LBPRGKRZSA-N 305.382 -0.817 30 20 DBED C[C@H](CN(C)C(=O)[C@@H]1CN(C)C(=O)N1)Nc1cnc(C#N)cn1 1120406559 CWBHEOQNDIEFCF-KOLCDFICSA-N 317.353 -0.369 30 20 DBED COCC[C@H](C)C(=O)NC[C@H](CO)Nc1ccc(C#N)nn1 1121607168 NARUMEILUVSGBO-CMPLNLGQSA-N 307.354 -0.090 30 20 DBED Cn1cncc1CC(=O)NC[C@H](CO)N=c1cc[nH]cc1C#N 1121798926 BEHVNAFSTGYFIF-GFCCVEGCSA-N 314.349 -0.760 30 20 DBED Cc1cc(=N[C@@H](CO)CNC(=O)Cc2ncc[nH]2)c(C#N)c[nH]1 1121977813 UMTMEMMKTFVGEH-GFCCVEGCSA-N 314.349 -0.462 30 20 DBED Cc1cc(=N[C@H](CO)CNC(=O)[C@H](C)CC(N)=O)c(C#N)c[nH]1 1122357695 WQWCPPGVLXAGKO-SKDRFNHKSA-N 319.365 -0.916 30 20 DBED N#Cc1nc(N[C@H](CO)CNC(=O)C(N)=O)sc1Cl 1122458594 SYWPNNLBNFIFPV-BYPYZUCNSA-N 303.731 -0.958 30 20 DBED C#CCCCCC(=O)NCCNC[C@H](O)CN1C(=O)CCC1=O 1125944487 CTDIQAANDRFVCT-ZDUSSCGKSA-N 323.393 -0.604 30 20 DBED N#Cc1ccc(F)c(CNCCNC(=O)Cn2ncnn2)c1 1127433553 QLSOSLFSNLXQAE-UHFFFAOYSA-N 303.301 -0.410 30 20 DBED C=C(C)CN(CC)C(=O)CNCCNC(=O)[C@@H]1CC(=O)N(C)C1 1128664491 DHTNEXPGLDFAOD-CYBMUJFWSA-N 324.425 -0.405 30 20 DBED C=C(C)CN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H](C)NC(N)=O)C1 1128935403 ZIAYZNQMHOQBJN-TUAOUCFPSA-N 321.385 -0.748 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@@H](C)OCC#C)C[C@@H]1n1ccnn1 1129837600 GZNWWKISWJMHBF-MCIONIFRSA-N 301.350 -0.709 30 20 DBED C=CCNC(=O)CNCCNC(=O)C1(NC(C)=O)CCCCC1 1130375328 CGGLAXQEGSTODI-UHFFFAOYSA-N 324.425 -0.167 30 20 DBED C=C(Cl)CNCCNC(=O)c1coc(S(N)(=O)=O)c1 1130421753 IJXZGDRYCAQKQC-UHFFFAOYSA-N 307.759 -0.001 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)Cn1nc(C)cc1C 1131064468 NWJZBASWCPELNJ-ZDUSSCGKSA-N 305.382 -0.656 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)Cc1cc(CC)nn1C 1131602130 XTQGPUIHUHXRPE-LBPRGKRZSA-N 321.425 -0.079 30 20 DBED C=CCNC(=O)CN1C[C@H](NC(=O)CNC(C)=O)CC[C@@H]1C 1131746176 APEHYPWTRBANBJ-WCQYABFASA-N 310.398 -0.606 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)c2cnn[nH]2)CC[C@@H]1C 1132145669 RKTBYJUSJFLNKN-QWRGUYRKSA-N 306.370 -0.310 30 20 DBED C#CCNC[C@@H]1CN(C(=O)CN2C(=O)CCC2=O)CC[C@@H]1C 1133300982 BPLGFWYCKUWJAC-QWHCGFSZSA-N 305.378 -0.157 30 20 DBED CC#CCN[C@@H](C)C[C@H](C)NC(=O)CNS(=O)(=O)N(C)C 1135568642 RCPGXDGEPKCCJO-RYUDHWBXSA-N 318.443 -0.721 30 20 DBED CC#CCN[C@@H](C)C[C@@H](C)NC(=O)CN1C(=O)CN(C)C1=O 1136131397 YNBOHZKTSSMONU-NWDGAFQWSA-N 308.382 -0.223 30 20 DBED C#CCOCCC(=O)N1CC2(CCN([C@@H]3CCNC3=O)C2)C1 1147535161 VSUOLZHSHGFOKF-CYBMUJFWSA-N 305.378 -0.551 30 20 DBED CN(C)c1ccncc1C(=O)NCCNCC(=O)NCC#N 1148051268 FNCVEXJIUPKSAO-UHFFFAOYSA-N 304.354 -0.893 30 20 DBED C#CCN1CCC2(C1)CN(C(=O)CNC(=O)c1cccnc1)C2 1148321155 PBZXGEFEBQLOQN-UHFFFAOYSA-N 312.373 -0.021 30 20 DBED C=CCCN1CCC2(C1)CN(C(=O)CS(=O)(=O)NC)C2 1148784870 ZERVAYCRAVBIIO-UHFFFAOYSA-N 301.412 -0.354 30 20 DBED C#CCN1CCC(C(=O)NCCNCC(=O)N2CCCC2)CC1 1152329853 CJHNKVHRXQKSMP-UHFFFAOYSA-N 320.437 -0.340 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H](CC(C)C)C(N)=O 1153782583 QMJMCULGQVUZBM-NEPJUHHUSA-N 312.414 -0.470 30 20 DBED CCN(CC#N)[C@H](C)CNC(=O)c1ccc(S(N)(=O)=O)o1 1154159140 QEYICESPLZDEGH-SECBINFHSA-N 314.367 -0.109 30 20 DBED C#CCOCCC(=O)NCCCNCc1c([N+](=O)[O-])ncn1C 1157859246 DVYRNUHYCDJAHF-UHFFFAOYSA-N 323.353 -0.036 30 20 DBED COCC#CCNCCCNC(=O)C[C@H]1CCCS1(=O)=O 1163368874 YJZKGKBDXWCCRS-CYBMUJFWSA-N 316.423 -0.301 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)Cn1nccc1C 1167449376 PZLGXWYQUQUOHA-ZDUSSCGKSA-N 305.382 -0.575 30 20 DBED N#CCNC(=O)CNCCCNC(=O)[C@@H]1CCC[C@@H](C(N)=O)C1 1167503652 BTFXDVKSOIOFJV-VXGBXAGGSA-N 323.397 -0.986 30 20 DBED C=CCN1CCO[C@H]2CCN(C(=O)CCNC(=O)NC)C[C@@H]21 1176999100 DQGXSGIHBWGCDI-STQMWFEESA-N 310.398 -0.207 30 20 DBED C=CCCOCC(=O)N1CC[C@H]2OCCN(CC(N)=O)[C@H]2C1 1177161541 DEAFBEHBMQYCDS-QWHCGFSZSA-N 311.382 -0.634 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)Cc2cc(C)[nH]n2)C1 1181950937 TVTLODAAYGXYDX-GFCCVEGCSA-N 303.366 -0.799 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@]2(C)CCC(=O)NC2)C1 1185077787 GKPFPNMSLHQWOG-WBMJQRKESA-N 322.409 -0.605 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)CC(N)=O)CC12CCOCC2 1186309840 ILFPNXVWWBTTJC-CYBMUJFWSA-N 307.394 -0.270 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)C[C@H]3CCCO3)[C@@H]2C1 1186957685 AMXAXYNBWLSQIA-RRFJBIMHSA-N 319.405 -0.162 30 20 DBED C[C@H](C(=O)N1CCCN(CC(=O)NCC#N)CC1)n1cccn1 1194897901 OXSAFZDEIFTEBB-CYBMUJFWSA-N 318.381 -0.382 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)[C@H](C)OCCOC)C1 1196588604 BBPLVVGQFJMNGF-QJPTWQEYSA-N 306.790 -0.048 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)c2cc(C)nn2C)CC1 1199523717 ZGDHZJQGFBKFIR-UHFFFAOYSA-N 317.393 -0.328 30 20 DBED C#CCNC[C@H]1CN(C(=O)c2ccnc3[nH]nnc23)CCCO1 1200937802 NYADSQOIVXMRDH-NSHDSACASA-N 314.349 -0.193 30 20 DBED NC(=O)C(=O)N1CCCO[C@H](CNCC#Cc2ccccc2)C1 1201301437 ASEHVWGCULMPBK-OAHLLOKOSA-N 315.373 -0.270 30 20 DBED C#CCNC[C@H]1CN(C(=O)c2cnn(CCOC)c2)CCCO1 1201959974 ZQXBIESVKVFNJI-HNNXBMFYSA-N 320.393 -0.017 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)c2cnc(O)n2C)CC1 1201966922 NXQKAJYGKQDMSH-UHFFFAOYSA-N 321.381 -0.378 30 20 DBED N#CCNC[C@@H]1CN(C(=O)[C@H]2CCc3nncn3C2)CCCO1 1202127005 XGRZKGUBXLQXIV-QWHCGFSZSA-N 318.381 -0.429 30 20 DBED COCC#CCNC1CCN(C(=O)[C@H]2CCC(=O)N2C)CC1 1202149450 JOOSAZHXGBCTBC-CQSZACIVSA-N 307.394 -0.162 30 20 DBED CC[C@H](OC)C(=O)N1CCC(CNCC(=O)NCC#N)CC1 1204710215 AVHNWKGDMKSWCG-ZDUSSCGKSA-N 310.398 -0.121 30 20 DBED COCC#CCN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)CCNC(N)=O)C2 1204957818 RBZMXHNJIRMFAL-MGPQQGTHSA-N 322.409 -0.336 30 20 DBED COCCCNC(=O)CN1C[C@@H](NC(=O)[C@@H](C)C#N)[C@H](C)C1 1206641504 UWYUDXLNCBVTIZ-YNEHKIRRSA-N 310.398 -0.265 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)Cc2cc[nH]n2)[C@H](C)C1 1206713558 YGNHDYBWDCJCHK-YRGRVCCFSA-N 317.393 -0.473 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)CC(C)(C)O)[C@H](C)C1 1206920140 BSLUEFCDXOZWCY-JHJVBQTASA-N 309.410 -0.278 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)CN2CCCC2=O)C1 1207251709 NVRGAQVIXIPOKK-CYBMUJFWSA-N 322.409 -0.508 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)C[C@@H]2CCOC2)C1 1207729071 QVMOVMDGAAAQKT-KBPBESRZSA-N 307.394 -0.257 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@H](N[C@H](C)C(=O)N(C)C)C1 1207872786 VJTDWSNXSAMOOK-OLZOCXBDSA-N 322.409 -0.817 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC[C@@H](NCc2nncn2C)C1 1208018654 SBDBRLVLXLQVFW-CHWSQXEVSA-N 305.382 -0.066 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)[C@@H](C)NC(=O)CC)C1 1208121311 NEEJCKSTQYVFQE-OLZOCXBDSA-N 324.425 -0.216 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)Cc2ncc[nH]2)[C@H](C)C1 1209741232 TUQVXMKWNHJQEY-FRRDWIJNSA-N 317.393 -0.473 30 20 DBED C#CCCN1C[C@@H](NC(=O)[C@@H](NC(N)=O)C(C)(C)C)[C@H](OC)C1 1213725951 NHZFTTLPDDHTQP-JHJVBQTASA-N 324.425 -0.092 30 20 DBED C[C@@H]1CN(C(=O)Cc2ccon2)C[C@H]1NCC(=O)NCC#N 1214372723 CGQVKJAAWMDKBV-ZYHUDNBSSA-N 305.338 -0.707 30 20 DBED CCCC(=O)N[C@@H]1CN(CC(=O)N(CC)CCC#N)C[C@@H]1O 1219103125 QUULJDKDRRDRLB-OLZOCXBDSA-N 310.398 -0.290 30 20 DBED Cc1cc(NC(=O)CN2C[C@H](O)[C@H](NC(=O)[C@@H](C)C#N)C2)on1 1219365681 DIPDLXIMSNTGEZ-GDPRMGEGSA-N 321.337 -0.758 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)c2nccc(C)n2)C1 1219530585 DRYSHQQSDPWKBK-OLZOCXBDSA-N 304.350 -0.790 30 20 DBED CN(C)c1noc(CN2C[C@H](O)[C@H](NC(=O)C#CC3CC3)C2)n1 1219591397 BPRMUXOUSHFTRZ-NEPJUHHUSA-N 319.365 -0.790 30 20 DBED C=CCCCN1C[C@H](O)[C@H](NC(=O)C(=O)N2CC[C@H](C)C2)C1 1220722917 UYVFMHYEACBEQD-MJBXVCDLSA-N 309.410 -0.018 30 20 DBED C=CCN1CC[C@@H]2CN(C(=O)CCCS(N)(=O)=O)[C@@H]2C1 1221781078 HUAQLVMJXZCZPK-VXGBXAGGSA-N 301.412 -0.226 30 20 DBED C=C(C)CN1CC[C@@H]2CN(C(=O)C[C@H](NC(C)=O)C(N)=O)[C@@H]2C1 1221852044 OPOJFFPEXJNKDD-HZSPNIEDSA-N 322.409 -0.525 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CC(=O)NCC 1225796073 QKEHOZZRBZOWGV-CHWSQXEVSA-N 322.409 -0.721 30 20 DBED C#CCOCCC(=O)N(C)C[C@H]1CCN1Cc1nnn(C)n1 1234256719 ZLHSPGXRNWVVAG-GFCCVEGCSA-N 306.370 -0.717 30 20 DBED C[C@@H](OCC1CC1)C(=O)NCCCN(C)CC(=O)NCC#N 1235179957 PQMWGWZNGFHWNV-GFCCVEGCSA-N 310.398 -0.121 30 20 DBED C#CCNC(=O)CN(C)CCCNC(=O)Cc1cnn(C)c1 1235418136 NVMXMJYAVNMWGN-UHFFFAOYSA-N 305.382 -0.850 30 20 DBED C[C@@H](O)C[C@H]1COCCN1C(=O)C(=O)NCC1(CC#N)CC1 1256791921 MFCOEZBAKJGIKP-NEPJUHHUSA-N 309.366 -0.205 30 20 DBED N#Cc1ccc([C@@H](NCCN2C(=O)CNC2=O)C(N)=O)cc1 1318578236 YYRBUZRUVWGPEJ-GFCCVEGCSA-N 301.306 -0.774 30 20 DBED N#C[C@]1(NC(=O)CN2CCS(=O)(=O)CC2)CCSC1 1319485206 ZZUWJDPNGOTHIE-LLVKDONJSA-N 303.409 -0.768 30 20 DBED N#CCNC(=O)CN(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1319649361 RIQDBGLGBZBIBS-NEPJUHHUSA-N 315.395 -0.706 30 20 DBED C=CCS(=O)(=O)CCNC(=O)c1ccc(S(N)(=O)=O)o1 1320305470 UVLHJIJZXMKDTA-UHFFFAOYSA-N 322.364 -0.742 30 20 DBED C=CCNC(=O)[C@H](C)[S@@](=O)C[C@H](NC(C)=O)C(=O)OC 1321861376 QQCMTAZERSHOLP-OEXNIHBPSA-N 304.368 -0.897 30 20 DBED C[C@@H](COCC(F)(F)F)NC(=O)C(=O)N1CCO[C@H](C#N)C1 1322548490 XOIUANNJKZZTJO-DTWKUNHWSA-N 323.271 -0.179 30 20 DBED COC[C@@H](NC(=O)C(=O)N1CCO[C@@H](C#N)C1)c1ccco1 1322936543 ZSHXDXMNJFDUDQ-WDEREUQCSA-N 307.306 -0.166 30 20 DBED C#CCN(C(=O)C(=O)Nc1ccn(CC(=O)N(C)C)n1)C1CC1 1326638762 FKHDRNLXLWWSLI-UHFFFAOYSA-N 317.349 -0.466 30 20 DBED N#Cc1ccc(NC(=O)C(=O)NCC[C@@]2(O)CCCOC2)nc1 1328730727 QIVWSPSSOGBWRU-HNNXBMFYSA-N 318.333 -0.060 30 20 DBED CS(=O)(=O)N1CCC(NC(=O)CON=CC2CC2)CC1 1329628624 BIYCYNGSGUIGGA-UHFFFAOYSA-N 303.384 -0.061 30 20 DBED CC#CC[C@@H](CO)NC(=O)[C@@H](C)n1cnc2c(N)ncnc21 1330873634 PTDXBKKZGQXXNH-ZJUUUORDSA-N 302.338 -0.140 30 20 DBED C#CCN1CCC[C@H](NC(=O)N2CCS(=O)(=O)C[C@@H]2C)C1 1333676236 BJWXZJMCDWEVBK-STQMWFEESA-N 313.423 -0.088 30 20 DBED N#C[C@@]1(F)CCN(C(=O)C(=O)N2CC(N3CCCC3=O)C2)C1 1335177632 SNTWGHSKEQSKLC-AWEZNQCLSA-N 308.313 -0.716 30 20 DBED CC(=O)N1CCN(C(=O)C(=O)N2CCC[C@H](C#N)C2)[C@@H](C)C1 1336339058 ZGDPXYCVLQLZMJ-WCQYABFASA-N 306.366 -0.172 30 20 DBED C#CCOCCn1nnnc1N1CCC(N2CCCC2=O)CC1 1337485463 FGKGBXFXHUXCGW-UHFFFAOYSA-N 318.381 -0.086 30 20 DBED C#C[C@H](C)N(C)c1nnc(Cn2cc(CCO)nn2)n1CC 1342523435 CCWNDDGCBFHNQW-NSHDSACASA-N 303.370 -0.070 30 20 DBED C=CCOCCn1nnnc1N(C)CC(=O)N1CCOCC1 1344013130 NAILHBIPHHXLNE-UHFFFAOYSA-N 310.358 -0.829 30 20 DBED Cn1cnn(CCC(=O)OCCOC2(C#N)CCOCC2)c1=O 1344458587 OFXCXNCMJKXWTP-UHFFFAOYSA-N 324.337 -0.396 30 20 DBED COC[C@]1(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CCNC1 1349108762 KDLJEKPBAPHMLI-LHNRBYRGSA-N 322.365 -0.745 30 20 DBED CCOC(=O)C[C@H](O)CN(CCC#N)CCN1CCOCC1 1365287352 QZHHKZLPFWIZLD-AWEZNQCLSA-N 313.398 -0.152 30 20 DBED COCCN(CCNC(=O)[C@@H](C)C#N)C(=O)c1cnnn1C 1371151739 VPJANIPSOJMANK-JTQLQIEISA-N 308.342 -0.820 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](CNC(=O)c1cnc(O)n1C)C1CC1 1372411644 KVNBSTVQRMUCNU-WCBMZHEXSA-N 305.338 -0.090 30 20 DBED C=C(Cl)CNC[C@H](O)CNC(=O)[C@H]1CCCN(C(N)=O)C1 1374631760 VJKNEEINLORROA-QWRGUYRKSA-N 318.805 -0.404 30 20 DBED CC(C)c1nn(C)cc1C(=O)NC[C@H](O)CNC(=O)[C@@H](C)C#N 1392099858 QLBFLZGWPFILTH-WDEREUQCSA-N 321.381 -0.090 30 20 DBED CCCC[C@@H](NC(N)=O)C(=O)NCC1CN(C(=O)[C@@H](C)C#N)C1 1398781926 HICVSUKMGXSVID-CMPLNLGQSA-N 323.397 -0.052 30 20 DBED C[C@H](NC(=O)CCn1ccnn1)C1CN(C(=O)[C@H](C)C#N)C1 1411941405 GZYZUMUWXJAPSZ-MNOVXSKESA-N 304.354 -0.209 30 20 DBED CN(Cc1ccn(C)n1)C(=O)CCn1cc(C#N)c(O)nc1=O 1412788719 SXFSNTBGCXBBCU-UHFFFAOYSA-N 316.321 -0.397 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C)C(=O)C1CCS(=O)(=O)CC1 1415600015 VPEVUUUFUMEBJR-JTQLQIEISA-N 315.395 -0.455 30 20 DBED C=C(Cl)CNC[C@H](C)NC(=O)c1c[nH]nc1S(N)(=O)=O 1422700971 JOISYALXDBPESH-ZETCQYMHSA-N 321.790 -0.483 30 20 DBED CC(=O)N(C)CC(=O)N1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 1427351926 AUUBJBBCMIDGKJ-GFCCVEGCSA-N 317.349 -0.305 30 20 DBED CC(C)(C)OCC(=O)NC[C@H](O)CNC(=O)c1c[nH]c(C#N)c1 1431524738 FFHQXXKCBHDSRD-LBPRGKRZSA-N 322.365 -0.092 30 20 DBED CC(C)[C@@H](CO)CNC(=O)CCn1cc(C#N)c(O)nc1=O 1433973235 MRHQOUQXBOGJPL-LLVKDONJSA-N 308.338 -0.409 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1C[C@@H](NC(=O)[C@H]2CCC(=O)NC2)C1 1445965518 ZWQJUXIHDZOVOX-WYUUTHIRSA-N 306.366 -0.317 30 20 DBED CNC(=O)CCCC(=O)N[C@H]1[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]21 1447685257 YCBSIYCPIGHQJW-KZWBYHQPSA-N 306.366 -0.365 30 20 DBED CC(=O)NCC(=O)NC[C@H]1CN(C(=O)[C@H](C)C#N)CCCO1 1452437731 RKKGKVULMKYJDA-PWSUYJOCSA-N 310.354 -0.984 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2nnn(C(C)(C)C)n2)C1 1479954222 ZUCWEVHOEFGGDI-LBPRGKRZSA-N 320.397 -0.118 30 20 DBED CN(CCNC(=O)c1ccc(O)nn1)C(=O)c1ccc(C#N)[nH]1 1495835053 OKWAQLTYLVTURW-UHFFFAOYSA-N 314.305 -0.116 30 20 DBED CCS(=O)(=O)CC(=O)NCC1CN(C(=O)[C@H](C)C#N)C1 1530792263 WCNUBXSSKINYOW-SECBINFHSA-N 301.368 -0.845 30 20 DBED C=CCCC[C@@H](NC(=O)Cn1cc(C(=O)O)nn1)C(=O)OC 1573356367 BIXXRVLEFTXVNI-SECBINFHSA-N 310.310 -0.010 30 20 DBED O=C(CCOCc1cnn[nH]1)NC1CN(C(=O)C#CC2CC2)C1 1577882032 RRBVKCAFZHYPCH-UHFFFAOYSA-N 317.349 -0.548 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)CCN=c1cc[nH]c(C(=O)O)n1 1588489782 CYJCWFRJVQFVTJ-JTQLQIEISA-N 306.322 -0.495 30 20 DBED C#CCN(CC(=O)O)C(=O)c1cn(Cc2noc(C)n2)nn1 1602692465 QFDLGPGYSHNKOR-UHFFFAOYSA-N 304.266 -0.822 30 20 DBED C#CC[C@H](CO)NS(=O)(=O)c1cccc(C)c1-c1nn[nH]n1 1602698049 YANRCQIFCFOTKF-SNVBAGLBSA-N 321.362 -0.162 30 20 DBED C=C(CCC(=O)O)C(=O)N1CCS(=O)(=O)[C@@H]2COCC[C@@H]21 1602778288 NDMWJHFZRIHXPN-WDEREUQCSA-N 317.363 -0.178 30 20 DBED Cc1nc(C#N)c(-c2nn[nH]n2)n1CC(=O)NC[C@@H]1CCCO1 1606023994 RPMOHOIXIBJJPS-VIFPVBQESA-N 316.325 -0.462 30 20 DBED N#CCNC(=O)CNS(=O)(=O)Cc1ccc(C(=O)O)cc1 1608187719 CPGIJQGGVZANDJ-UHFFFAOYSA-N 311.319 -0.556 30 20 DBED C#CCNC(=O)C1CCN(CC(=O)N[C@H](C(=O)O)C(C)C)CC1 1609159248 YOOVGCRBNMJITB-AWEZNQCLSA-N 323.393 -0.327 30 20 DBED N#Cc1ccc(NCC(=O)N2CCC(S(N)(=O)=O)CC2)nc1 1649765982 QXFDADRYVLLGLE-UHFFFAOYSA-N 323.378 -0.355 30 20 DBED COCC#CCNC[C@H]1CCN(C(=O)c2cnn(C)c2N)C1 1752934701 NAPQTBUAHSQAKO-GFCCVEGCSA-N 305.382 -0.296 30 20 DBED CN(CCNC(=O)CSCC#N)Cc1nc(N(C)C)no1 1753042873 INZMLIOIYVTDCH-UHFFFAOYSA-N 312.399 -0.060 30 20 DBED CN(CCNCC(=O)NCC#N)C(=O)c1c[nH]c2ncccc12 1753263694 TUTPQBAUJXMZML-UHFFFAOYSA-N 314.349 -0.136 30 20 DBED CCCN(C(=O)Cn1nc(C)n(C)c1=O)[C@@H]1CCN(CC#N)C1 1753322112 FMAUFYNDCMNZLV-CYBMUJFWSA-N 320.397 -0.273 30 20 DBED COCCC1(C(=O)NCC2CN(CC(=O)NCC#N)C2)CCC1 1753414349 IWTIUJWGHWKLFS-UHFFFAOYSA-N 322.409 -0.119 30 20 DBED CC[C@H](CNC(=O)[C@H]1CCN(C)[C@@H](C)C1)NCC(=O)NCC#N 1753483570 KBJKKMTZPRQHQT-MELADBBJSA-N 323.441 -0.159 30 20 DBED C[C@H](CNCC(=O)NCC#N)CNC(=O)c1ccccc1O 1753605344 CATYLQQBTQZGNH-LLVKDONJSA-N 304.350 -0.013 30 20 DBED C#CCNC(=O)[C@H](C)N1CCO[C@H](CNC(=O)C#CC(C)C)C1 1753648831 NWODACHKYAZSQL-LSDHHAIUSA-N 319.405 -0.399 30 20 DBED C#CCNC(=O)CN(C)CCN(C)C(=O)Cc1ccn(C)n1 1753853165 NSLIGZPMTKLTMI-UHFFFAOYSA-N 305.382 -0.898 30 20 DBED CCNC(=O)CC(=O)NC[C@H](O)CNCc1ccccc1C#N 1753909713 XRSQQYOYRDFCSB-CQSZACIVSA-N 318.377 -0.349 30 20 DBED CN(CCCNCC(=O)NCC#N)C(=O)C[C@H]1CCCC(=O)N1 1754383480 QRNLOQSYDLVVGJ-GFCCVEGCSA-N 323.397 -0.877 30 20 DBED CNC(=O)NC(=O)CNC[C@H](NC(=O)C#CC1CC1)C1CC1 1754440130 UHFLZYXBYOZLCG-LBPRGKRZSA-N 306.366 -0.660 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CNC(=O)CCn1ccnc1 1754498879 DHSCQALXNKPHOE-CYBMUJFWSA-N 303.366 -0.787 30 20 DBED N#CCN1CC[C@](O)(CNC(=O)c2cnc3nccn3c2)C1 1754753455 ZPNPBBHSBRECRC-AWEZNQCLSA-N 300.322 -0.581 30 20 DBED C[C@H](NCC#N)[C@H]1CCN(C(=O)C(C)(C)NS(C)(=O)=O)C1 1754804732 SXGMIVXNPZVHFI-QWRGUYRKSA-N 316.427 -0.336 30 20 DBED N#CCNC(=O)CNC1(CNC(=O)c2cnsn2)CCC1 1754978061 RHSBUTLLJPITHP-UHFFFAOYSA-N 308.367 -0.580 30 20 DBED COCC#CCN[C@H](C)[C@@H]1CN(C(=O)c2cnon2)CCO1 1755459172 HHJKXHPHTBOFAQ-YPMHNXCESA-N 308.338 -0.462 30 20 DBED C[C@@H](NC(=O)CCn1ccnn1)[C@@H](C)NC(=O)CSCC#N 1755964364 FICHXKKYZPFBTE-GHMZBOCLSA-N 324.410 -0.066 30 20 DBED C#CCOCCC(=O)N(C)[C@@H](C)CNC(=O)[C@@H](C)NC(C)=O 1756001560 BYALKDHNXJXKLV-NWDGAFQWSA-N 311.382 -0.486 30 20 DBED CCCC[C@@H](CNC(=O)C#CC1CC1)NC(=O)Cn1cnnn1 1756106616 DVUGTFKOBCYYBF-ZDUSSCGKSA-N 318.381 -0.122 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H](CO)CNC(=O)c1[nH]c(C)nc1C 1756550318 SBLMFPHDTAUWOT-CMPLNLGQSA-N 324.381 -0.175 30 20 DBED C=CCCC(=O)N[C@@H]1CCN(C(=O)CN2CCOCC2=O)[C@@H]1C 1756566148 KXULXDOZULNROT-CHWSQXEVSA-N 323.393 -0.083 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(C(=O)CCCCC(N)=O)C[C@H]1O 1756993999 YSLJVEUCYZVWBB-CHWSQXEVSA-N 323.393 -0.621 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C[C@H]1OC 1757120136 MXRZCGHLVOYWEA-OKWIKPQFSA-N 324.377 -0.577 30 20 DBED CN1CCO[C@H](C(=O)N2CC[C@@H]2CN(C)C(=O)C#CC2CC2)C1 1757288482 AUGLSIGVUMZDHK-CABCVRRESA-N 319.405 -0.210 30 20 DBED C=CCCC(=O)N1CC[C@H]1CN(C)C(=O)CS(=O)(=O)NC 1757288498 NJQPVRRSWWFXOG-NSHDSACASA-N 317.411 -0.439 30 20 DBED C=CCC(=O)N1CC[C@]2(C1)CN(C(=O)Cn1cncn1)CCO2 1783914051 HJUFDLJGTBSTNY-HNNXBMFYSA-N 319.365 -0.316 30 20 DBED C#CC(=O)N1CCO[C@]2(CCN(C(=O)CCn3ccnn3)C2)C1 1784537183 BEFTVRHIWWRJGI-HNNXBMFYSA-N 317.349 -0.869 30 20 DBED CC[C@@H](C)[C@H](N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC#N)C2 1795548508 IHIATVHJLXVOQO-RKEKIRQTSA-N 322.409 -0.137 30 20 DBED CCNC(=S)NCC(=O)N1CCCC12CN(C(=O)CC#N)C2 1845758992 GYHHRJPIOBGPRP-UHFFFAOYSA-N 323.422 -0.413 30 20 DBED C#CCCC(=O)N1CC2(CCCN2C(=O)[C@H]2CNC(=O)C2)C1 1846001560 VAGVWFYJAOXAQW-GFCCVEGCSA-N 303.362 -0.261 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)COCCO 1847806055 BQTIVWJWZWAVEV-RDBSUJKOSA-N 324.377 -0.765 30 20 DBED C=C(C)COC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 26005150 KVVSOHPEQUBQIM-UHFFFAOYSA-N 306.322 -0.057 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2C[C@@H]2C(=O)OC)CC1 264874800 HFABKYNBQCXXBX-OLZOCXBDSA-N 321.377 -0.921 30 20 DBED C=CCNC(=O)CNC(=O)[C@@H](C)N1C(=O)[C@H]2CCCC[C@H]2C1=O 271990729 QHPSJFJDTDIHPZ-UTUOFQBUSA-N 321.377 -0.032 30 20 DBED COc1ncnc(N(C)C)c1NC(=O)C(=O)NCCCC#N 273110929 MYCYAZBPKSHTRD-UHFFFAOYSA-N 306.326 -0.090 30 20 DBED C#CCOc1ccccc1NC(=O)C(=O)N1CCNC(=O)C1 274674162 IGKOEVGJBCKLTF-UHFFFAOYSA-N 301.302 -0.405 30 20 DBED N#CCCCS(=O)(=O)N1CC[C@@H](C(=O)O)[C@@H](C(=O)O)C1 275105183 MEEHONKIJPSPFQ-BDAKNGLRSA-N 304.324 -0.273 30 20 DBED N#Cc1ccccc1/C=C/C(=O)NCCOCCS(N)(=O)=O 288365545 YBISKKWQLLFNCF-AATRIKPKSA-N 323.374 -0.007 30 20 DBED COC(=O)[C@H](NS(=O)(=O)c1ccc(C#N)c(F)c1)[C@@H](C)O 291600760 AAIJYRHXDZLVNC-RDDDGLTNSA-N 316.310 -0.102 30 20 DBED C#CCN(C)C(=O)[C@@H]1CC(=O)N(c2cnn(CCOC)c2)C1 295467567 QOEFZHXKOBMKMI-GFCCVEGCSA-N 304.350 -0.026 30 20 DBED CCS(=O)(=O)C[C@H](C)N(C)/C(O)=N/[C@@H]1CC(=O)N(C)C1 331117547 KWZWQGQGZXEPBH-VHSXEESVSA-N 305.400 -0.114 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1C[C@@H](OC)[C@H](OC)C1 337194529 VJUXNKGTBJJTOP-VXGBXAGGSA-N 321.399 -0.561 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(C)CC2(O)CCCC2)C1=O 337433345 BHOPDWAUETVGGE-UHFFFAOYSA-N 323.349 -0.273 30 20 DBED C=CCN(C)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@@H]1O 343047705 ODIRMMZUSGJSBE-RTOGKPCTSA-N 321.337 -0.940 30 20 DBED Cc1cc(C(=O)NCC(=O)NCC#N)cc(S(N)(=O)=O)c1C 344169277 GYZSRHFQWMPVBK-UHFFFAOYSA-N 324.362 -0.680 30 20 DBED C[C@H](NC(=O)NCC(=O)NCC#N)C(=O)N1CCCC[C@@H]1C 344606420 NFUGFMVBCRERKG-QWRGUYRKSA-N 309.370 -0.285 30 20 DBED C=CCSCCNC(=O)C(=O)N1CCC[C@@H]2C(=O)NC[C@H]21 355294969 YBHHVZHXQMFMNN-WDEREUQCSA-N 311.407 -0.241 30 20 DBED COC(=O)c1ccc(-c2nnn(CC(=O)NCC#N)n2)cc1 358138471 MWCASCUISAPKCA-UHFFFAOYSA-N 300.278 -0.234 30 20 DBED CC(C)CN1CCN(C(=O)NCC(=O)NCC#N)[C@H](C)C1=O 358269168 CXUQIKYQCRGAQS-LLVKDONJSA-N 309.370 -0.476 30 20 DBED N#Cc1cc(F)c(S(=O)(=O)NCCn2ncnn2)c(F)c1 360131037 KHPDOVPPODCTAD-UHFFFAOYSA-N 314.277 -0.199 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N1CCN2C(=O)OC[C@H]2C1 374463793 ZOBVQNOJLJXJBX-NXEZZACHSA-N 302.356 -0.541 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CCCC[C@@H]2[C@H](C)N)nn1 424548955 QPAFYYAXCXTARU-WCQYABFASA-N 320.397 -0.191 30 20 DBED N#Cc1ncn(CC(=O)NCc2ccc(OCCO)cc2)n1 427081367 LYWIWTJTPVMBGY-UHFFFAOYSA-N 301.306 -0.163 30 20 DBED COCCNC(=O)CNC(=O)C(=O)Nc1ccc(F)cc1C#N 435640297 XZRGGHVEQNRVOI-UHFFFAOYSA-N 322.296 -0.485 30 20 DBED C=CCC[C@H](O)CN1CCOC[C@H]1C(=O)NCC(=O)OCC 444616547 OOLBMTYRFHRYHU-STQMWFEESA-N 314.382 -0.306 30 20 DBED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CC(=O)N[C@H](C)C2)CC1 451644808 ZJOFHFCUCMLVKY-ZIAGYGMSSA-N 321.425 -0.501 30 20 DBED C#CCN1CCN(C(=O)CN2CC[C@H](OCCOC)C2)CC1 491040124 SERAHRZGFZIXED-HNNXBMFYSA-N 309.410 -0.499 30 20 DBED C#CCNC(=O)C1CCN(CC(=O)N[C@@H](C)C(=O)N(C)C)CC1 491069821 YSMMSOYAASSGCH-LBPRGKRZSA-N 322.409 -0.959 30 20 DBED C#C[C@H](CC)NS(=O)(=O)c1cnc2c(c1)c(O)nc(=O)n2C 491678982 CVUYZPZPWKOEAF-MRVPVSSYSA-N 322.346 -0.276 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)NC[C@](C)(CC(=O)O)C(=O)O 521052417 VSABOOVXDFEZAL-KCJUWKMLSA-N 321.355 -0.522 30 20 DBED N#Cc1ccccc1OC[C@H](O)CN1CCO[C@@H](C(N)=O)C1 528367191 QFPSSANJAGQEMN-TZMCWYRMSA-N 305.334 -0.516 30 20 DBED C=CCn1c(C(=O)N2CCCC2)nnc1N1CCN(C)C(=O)C1 554625675 QCIZYGWQMFEGHC-UHFFFAOYSA-N 318.381 -0.022 30 20 DBED N#C[C@H]1CN(S(=O)(=O)N[C@H]2Cc3cccc(O)c3C2)CCO1 558591385 BEUQNJUVPQIYRI-RYUDHWBXSA-N 323.374 -0.082 30 20 DBED Cc1cc(NC(=O)C(=O)N2C[C@@H](CO)O[C@H](C)C2)ncc1C#N 572057603 ODEIZCZXYDZARY-PWSUYJOCSA-N 318.333 -0.192 30 20 DBED C=CCN(C[C@H](O)CN(C)CCOC)[C@H]1CCS(=O)(=O)C1 572732069 QABVDSVBDXEWNT-UONOGXRCSA-N 320.455 -0.399 30 20 DBED C=CCC[C@@H](CO)NC(=O)c1nc(N)nc(N2CCOCC2)n1 583758791 WXECUJMBEAYPBX-JTQLQIEISA-N 322.369 -0.653 30 20 DBED N#Cc1ccccc1S(=O)(=O)N1CC(N2CC[C@@H](O)C2)C1 593650165 UQWDRFZNQNILQZ-CYBMUJFWSA-N 307.375 -0.002 30 20 DBED COC(=O)C[C@H](N)C(=O)Nc1n[nH]c2cc(C#N)c(C)cc12 593917013 VLTRIVPVJDCEFX-JTQLQIEISA-N 301.306 0.572 30 20 DBED CN(CCC#N)S(=O)(=O)NCc1nnn(C(C)(C)C)n1 594476918 YZDFZFVOOOBGGG-UHFFFAOYSA-N 301.376 -0.392 30 20 DBED CN(C)C(=O)[C@@H]1CC[C@H](C(=O)NCC2CCN(CC#N)CC2)O1 598920247 KCAWZLPYXWUOEK-KGLIPLIRSA-N 322.409 -0.026 30 20 DBED COC(=O)C[C@@H](O)CNS(=O)(=O)c1ccc(C#N)s1 599463848 YZDQJJFMPDLNFL-SSDOTTSWSA-N 304.349 -0.178 30 20 DBED CCN1C[C@H](S(=O)(=O)N2CCSC[C@H]2C#N)CC1=O 601387306 UHFXZCOUVOMLHN-NXEZZACHSA-N 303.409 -0.122 30 20 DBED C=CCCNC(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1 617616166 LWJQUUZFUORWDF-UHFFFAOYSA-N 301.324 -0.651 30 20 DBED C=C[C@](C)(O)C(=O)N[C@H]1CCCN(CCN2CCOCC2)C1 641671442 VTNQTPJUFCHQNC-HOCLYGCPSA-N 311.426 -0.164 30 20 DBED C=CCCOCCNC(=O)N[C@H]1CS(=O)(=O)C[C@H]1OC 660953736 BVZFUCQWMKUYMH-WDEREUQCSA-N 306.384 -0.310 30 20 DBED C#Cc1ccc(C(=O)NCCC(=O)N2CCN(C)CC2)nc1 728982820 QJNVIQYIOVCYDW-UHFFFAOYSA-N 300.362 -0.043 30 20 DBED C#CCOCCC(=O)O[C@H](C)C(=O)N1CCC[C@@H](C(N)=O)C1 756310561 XILKVZKMHSUNQB-VXGBXAGGSA-N 310.350 -0.318 30 20 DBED C#CCOCCNC(=O)c1ccc(S(=O)(=O)N(C)C)nc1 770011682 FTDDCCWEWREGKP-UHFFFAOYSA-N 311.363 -0.289 30 20 DBED COC[C@H](C#N)OC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 785139832 MCYLSLKZSCJRHJ-QMMMGPOBSA-N 318.289 -0.672 30 20 DBED C=CCC1(S(=O)(=O)NC(=O)Cn2ncn(C)c2=O)CC1 810986169 QCWCSMXFMMQQPS-UHFFFAOYSA-N 300.340 -0.864 30 20 DBED C[C@H](C#N)OCCOC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1 815261263 AGWKRCXEXUXKPG-NXEZZACHSA-N 305.356 -0.626 30 20 DBED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(CC(=O)O)cc1 833376871 GJSSYWAIJAPYCW-UHFFFAOYSA-N 319.317 -0.329 30 20 DBED Cc1nc2ncnn2c(C)c1CCC(=O)N[C@H]1CNC[C@@H]1C#N 834511551 MGJGDKNNDKWTDD-AAEUAGOBSA-N 313.365 -0.098 30 20 DBED C=C[C@H](O)C(=O)Nc1nc(CCNC(=O)[C@H](O)C=C)cs1 834659919 ITNXLUDUDVRPFW-ZJUUUORDSA-N 311.363 -0.166 30 20 DBED C=C(C)CONC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C 846538788 YWNJNVXXNQWKEJ-UHFFFAOYSA-N 304.306 -0.130 30 20 DBED C#CCN1CCN(C(=O)CN2[C@H](C)C(=O)N[C@@H](C)[C@H]2C)CC1 930830042 AKVGUQXBOKVCKL-BFHYXJOUSA-N 306.410 -0.639 30 20 DBED C[C@@H]1CN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)C[C@H]1NCC#N 939334614 QDEWLODGVBDQKR-MWLCHTKSSA-N 315.337 -0.969 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)CN2C(=O)CNC2=O)[C@H](C)C1 944790933 SCPPEIYQNRUOFC-VXGBXAGGSA-N 308.382 -0.059 30 20 DBED C[C@H](C#N)C(=O)N1CCC(NC(=O)[C@@H]2CC(=O)N(C)C2)CC1 948106307 KKZOCFSXKNRIAP-GHMZBOCLSA-N 306.366 -0.268 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)CS(C)(=O)=O)CCO2 949038635 YQYJDKGYQVIKOH-UHFFFAOYSA-N 314.407 -0.642 30 20 DBED N#Cc1ccc(C(=O)NC[C@@H]2CCN2C(=O)Cn2nccn2)[nH]1 949452371 JYYFJAHIDGZWAI-NSHDSACASA-N 313.321 -0.491 30 20 DBED O=C(NC[C@@H]1CCN1C(=O)C#CC1CC1)c1nnc(O)nc1O 951298420 YCBYQMAUDQXOLR-VIFPVBQESA-N 317.305 -0.973 30 20 DBED N#Cc1c[nH]c(C(=O)NCC2CCN(C(=O)CC(N)=O)CC2)c1 952228651 OUGFEQUWXJVJMF-UHFFFAOYSA-N 317.349 -0.270 30 20 DBED NC(=O)C(=O)N1CC[C@]2(CCCN(C(=O)C#CC3CC3)C2)C1 952943388 HXKKKQVTKXSLHG-INIZCTEOSA-N 303.362 -0.274 30 20 DBED CN(C(=O)Cn1nccn1)C1CN(C(=O)c2ccc(C#N)[nH]2)C1 954368900 GJSXVNKSKBNVLU-UHFFFAOYSA-N 313.321 -0.539 30 20 DBED C[C@H](C#N)C(=O)N1CC(N(C)C(=O)CN2CCCCC2=O)C1 954731050 LOHLREZTQRYQDF-LLVKDONJSA-N 306.366 -0.172 30 20 DBED C=CCCN1C[C@H](CNC(=O)c2ccn3nnnc3c2)[C@@H](O)C1 958319521 LOKIQIVKCSIGCW-STQMWFEESA-N 316.365 -0.277 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cn3nccc3nc2C)C1 958556152 QHRVUSAMKKVFNQ-GXTWGEPZSA-N 313.361 -0.307 30 20 DBED CC#CCN1C[C@@H](O)[C@H](CNC(=O)c2ccc(C(N)=O)cc2)C1 958658066 TXKSPCJRZDNKDZ-HUUCEWRRSA-N 315.373 -0.169 30 20 DBED C[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1CNC(=O)c1ccc(C#N)[nH]1 959413198 WMTYEKVETDFVBY-NXEZZACHSA-N 317.349 -0.414 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CN(C(=O)c3ccc(O)nn3)C[C@H]2C1 959812364 ZICCDGWRVSLBGH-GARJFASQSA-N 315.333 -0.128 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@H](NC(=O)[C@@H]2CCNC(=O)C2)C1 962246833 YUMCOHCJORFVRR-UTUOFQBUSA-N 323.393 -0.587 30 20 DBED N#Cc1ccc(C(=O)N2CCC[C@H](NC(=O)C(N)=O)CC2)[nH]1 965130838 IYGBYWZITNTLKD-VIFPVBQESA-N 303.322 -0.517 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CN(C(=O)C#CC3CC3)CCO2)C1 965379959 SDMUVYDMZVHATL-GFCCVEGCSA-N 301.346 -0.001 30 20 DBED Cc1c[nH]c(C(=O)N2CC3(C2)CN(C(=O)[C@@H](C)C#N)CCO3)n1 965479420 ZWNQPPNMBABCOW-JTQLQIEISA-N 317.349 -0.069 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)c2cc(Cl)no2)C1 970230791 YYJZZRBRXLHLIG-PRJMDXOYSA-N 312.713 -0.211 30 20 DBED Cc1c(C(=O)N[C@H]2[C@@H]3CN(C(=O)[C@@H](C)C#N)C[C@@H]32)nnn1C 976301772 CRMCZNGAEPUOMZ-QAHWYCSRSA-N 302.338 -0.530 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1[C@@H]2CN(C(=O)CC(N)=O)C[C@@H]21 976588006 BXRXCIKNMTXJPF-LNNJMGJISA-N 321.377 -0.584 30 20 DBED C#CCN1C[C@H]2C(CNC(=O)c3cnc(O)n(C)c3=O)[C@@H]2C1 978593034 GMMSZFBJGWPGIU-RYUDHWBXSA-N 302.334 -0.973 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](CNC(=O)c2cn(C)c(=O)cn2)C1 983213914 GPLKYZCRHMQLIY-QWRGUYRKSA-N 317.349 -0.482 30 20 DBED C#CCN[C@H]1CCN(C(=O)CN2C(=O)NC(C)(C)C2=O)[C@@H]1C 987460858 TYFCKSWQUVJICC-MNOVXSKESA-N 306.366 -0.471 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)Cc2cnn(C)c2)C1 990448238 WVJGUXCQAXEFAS-KGLIPLIRSA-N 318.377 -0.119 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H](NCC(=O)N2CCOCC2)C1 998746454 NYUMSXZXHWTTHL-STQMWFEESA-N 308.382 -0.415 30 20 DBED C=CCN1CC[C@@H](N[C@H]2CCCN(C(=O)c3nc[nH]n3)C2)C1=O 1000494330 KVZJDQBDLBCUBK-NWDGAFQWSA-N 318.381 -0.214 30 20 DBED CC(=O)N1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@@H](C)C#N)C1 1003477772 QWRKJYBIVWVTIH-GWCFXTLKSA-N 306.366 -0.268 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C(=O)c2ccc(C(N)=O)nc2)CC1 1011330637 YKTCCAAIHQDIKV-SNVBAGLBSA-N 315.333 -0.375 30 20 DBED C[C@@H]1[C@H](NC(=O)Cc2nc[nH]n2)CCN1C(=O)C#CC1CC1 1011743295 XJGLLTWHUISDKD-ZYHUDNBSSA-N 301.350 -0.134 30 20 DBED COc1nccc(C(=O)N2CCN(C(=O)[C@H](C)C#N)CC2)n1 1011764752 YTHPAGYJMMEWSM-SNVBAGLBSA-N 303.322 -0.071 30 20 DBED C=CC(C)(C)C(=O)N1CC2(CCN(C(=O)Cn3cnnn3)C2)C1 1019254931 XMSSNNLRMHERQU-UHFFFAOYSA-N 318.381 -0.054 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCN(C(=O)c3cc(=O)n(C)o3)C2)C1 1019362940 ITWTWRISKQLJEU-SNVBAGLBSA-N 318.333 -0.188 30 20 DBED C[C@@H](C#N)C(=O)N1CCCO[C@H](CNC(=O)c2cnn(C)c2)C1 1019526962 PSUPLWLNTGYXMM-WCQYABFASA-N 319.365 -0.073 30 20 DBED C#CCN1CCC[C@@H]([C@H](C)NC(=O)C2CC(=O)NC(=O)C2)C1 1025562354 RRZBMSKWLFTHIL-NWDGAFQWSA-N 305.378 -0.111 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@H]2N(C(=O)C(N)=O)C3)[nH]1 1026054483 BVORLEOMEQGFGS-JFUSQASVSA-N 315.333 -0.519 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN(Cc2cnn(C)n2)C1 1030461966 FCNLDEBENQNLNC-AWEZNQCLSA-N 302.382 -0.787 30 20 DBED C#CCN1CC[C@@H](N(C)C(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 1033078018 WASPNCIZUGWMNB-QWHCGFSZSA-N 315.377 -0.072 30 20 DBED CCN(C(=O)C1CC2(C1)NC(=O)NC2=O)[C@H]1CCN(CC#N)C1 1033983362 BDGCJYDGNLAKKW-VTWZXRTESA-N 319.365 -0.579 30 20 DBED Cn1cc(C(N)=O)cc1C(=O)NC[C@@H]1CN(CC#N)CCO1 1035436340 QBLLSCPRHJMZNK-LLVKDONJSA-N 305.338 -0.922 30 20 DBED C=C(C)CN[C@@H]1CCN(C(=O)Cn2ncn(C)c2=O)C[C@H]1C 1036079646 HNVZFOJZPAHCTN-CHWSQXEVSA-N 307.398 -0.016 30 20 DBED CC#CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)c1nc(O)nc(O)c1OC 1037669952 BOAGBGDGLITWHK-UTLUCORTSA-N 318.333 -0.278 30 20 DBED CC[C@@H]1CN(C(=O)c2cn(C)c(=O)nc2O)CC[C@@H]1NCC#N 1037974243 NWTSRFMWZVQJKC-PWSUYJOCSA-N 319.365 -0.160 30 20 DBED N#Cc1nc(=N[C@H]2C[C@H]3CC[C@H]2N(C(=O)C(N)=O)C3)cc[nH]1 1041679036 PVRFUSTURGNPDA-KXUCPTDWSA-N 300.322 -0.953 30 20 DBED CCOCC(=O)N1CC(O)(CNC(=O)c2cc(C#N)c[nH]2)C1 1042402001 SRZUIURGFPPIQO-UHFFFAOYSA-N 306.322 -0.774 30 20 DBED COCCCC(=O)N1CC(O)(CNC(=O)c2c[nH]c(C#N)c2)C1 1042669291 KDROIWHZAGUTHK-UHFFFAOYSA-N 320.349 -0.384 30 20 DBED CCO[C@H](C(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1)C1CC1 1043172325 IQTPYVYYUJFPEE-HNNXBMFYSA-N 320.389 -0.096 30 20 DBED C=CCCCC(=O)N1CC(O)(CNC(=O)Cn2nccn2)C1 1043211257 ZKPWTNOBCMUEER-UHFFFAOYSA-N 307.354 -0.676 30 20 DBED C=CCCOCC(=O)N1CC(O)(CNC(=O)Cc2ncc[nH]2)C1 1045286305 KTAXMSDTSBXBQF-UHFFFAOYSA-N 322.365 -0.766 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)c2cc(C3CC3)[nH]n2)C1 1045554394 DYGWJTHFKJQHKM-VIFPVBQESA-N 317.349 -0.250 30 20 DBED Cc1nccc(C(=O)N2CC(O)(CNC(=O)[C@H](C)C#N)C2)n1 1045555032 NDKWFROBKUYVGV-SECBINFHSA-N 303.322 -0.752 30 20 DBED C=CCN1CC[C@H](N2CCN(C(=O)[C@H]3CCNC3=O)CC2)C1 1046049638 UAXIAVZSIUUGCF-KBPBESRZSA-N 306.410 -0.473 30 20 DBED Cn1nnnc1CN1CC[C@@](C)(NC(=O)c2c[nH]c(C#N)c2)C1 1046252713 HLMLSGHTWOZWNW-CQSZACIVSA-N 314.353 -0.196 30 20 DBED CN(C(=O)c1ccc2c(c1)NC(=O)C2)[C@H]1CN(CC#N)C[C@@H]1O 1047390703 IEZHFAPUARXGFS-KBPBESRZSA-N 314.345 -0.178 30 20 DBED C=CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C2(C(N)=O)CC2)C1 1049382788 RTGZYEXFBLICMK-RYUDHWBXSA-N 323.393 -0.362 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)CCn2cccn2)C[C@@H]1O 1049388725 PJNMZNDYRLCRRU-AVGNSLFASA-N 319.365 -0.537 30 20 DBED C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)CN1CC(=O)NC1=O 1049791471 VJHHIBBNSLBSJD-NEPJUHHUSA-N 306.366 -0.211 30 20 DBED CC(=O)NCC(=O)N1CC[C@H]([C@H](C)NC(=O)C#CC2CC2)C1 1049841450 YBJXFRZYAUHENF-FZMZJTMJSA-N 305.378 -0.111 30 20 DBED CC(=O)NCc1ccc(C(=O)NC[C@H]2COCCN2CC#N)o1 1051169453 XNGFXWXLOZBZCR-LBPRGKRZSA-N 320.349 -0.130 30 20 DBED N#CCN1CCN([C@@H]2CCN(C(=O)[C@H]3COCCO3)C2)CC1 1051988500 XAIGLKQHHUIWBZ-ZIAGYGMSSA-N 308.382 -0.856 30 20 DBED C#CCN1CC2(CC[C@H](CNC(=O)[C@@H]3CN(C)CCO3)O2)C1 1053586933 ZRMPZWFLLXWMCP-KGLIPLIRSA-N 307.394 -0.700 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)[C@@H]3CCc4nn[nH]c4C3)CO2)C1 1053981950 ZCCWLXDHQLBARY-VXGBXAGGSA-N 315.377 -0.498 30 20 DBED C[C@@]1(C(=O)N2CCN(c3ccc(C#N)nn3)CC2)CCNC1=O 1056018506 AXRHQPVPKRBCDJ-OAHLLOKOSA-N 314.349 -0.477 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC[C@H]2[C@H]1CCN2C(=O)CC(N)=O 1056403720 ZSAWXOLKNOXFDU-FRRDWIJNSA-N 321.377 -0.508 30 20 DBED C=C[C@](C)(O)CC(=O)NCCN(CCO)C(=O)[C@H]1CCCO1 1056894038 HHSQADMAWQOGRL-DOMZBBRYSA-N 314.382 -0.570 30 20 DBED O=C(C[C@H]1COC(=O)C1)NCCN(CCO)C(=O)C#CC1CC1 1057531063 DFPRTHJHCCGLOL-CYBMUJFWSA-N 322.361 -0.710 30 20 DBED C=C(C)C[C@H](C)C(=O)N(CCO)CCNC(=O)CNC(C)=O 1058462354 RCTHFVREXKYUJF-LBPRGKRZSA-N 313.398 -0.338 30 20 DBED N#Cc1nccnc1N[C@H]1C[C@H](NC(=O)C2CS(=O)(=O)C2)C1 1059312906 OLEVHBFSQXBKGX-MGCOHNPYSA-N 321.362 -0.548 30 20 DBED N#Cc1nccc(N2CCC[C@H]2CNC(=O)[C@@H]2CCNC2=O)n1 1061422611 MHKCZTNWUDUEHU-WDEREUQCSA-N 314.349 -0.431 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@H]1COCCN1C(=O)COC 1061538169 LBDJLPQHGOQWKX-BXUZGUMPSA-N 300.355 -0.697 30 20 DBED COCC1(C(=O)NC[C@H]2COCCN2C(=O)[C@@H](C)C#N)CC1 1061703053 KKLKRRUTAKNGBR-RYUDHWBXSA-N 309.366 -0.084 30 20 DBED CC(C)C#CC(=O)N1CCOC[C@H]1CNC(=O)[C@H]1C[C@H]1C(N)=O 1061905455 GHILMWBCZMVFAC-UPJWGTAASA-N 321.377 -0.889 30 20 DBED CN(C(=O)Cn1ncnn1)[C@@H]1CCN(c2ccc(C#N)nc2)C1 1062980750 QBDKTMREQGXDGX-CYBMUJFWSA-N 312.337 -0.323 30 20 DBED N#Cc1nccnc1N1CC[C@H]2CN(C(=O)CC(N)=O)CC[C@H]21 1064002118 ZSGZXGOAXKIRBV-CMPLNLGQSA-N 314.349 -0.349 30 20 DBED Cn1nnc(C(=O)NCC2(NC(=O)CSCC#N)CCC2)n1 1064047667 TVLLCUFMNGIEOC-UHFFFAOYSA-N 323.382 -0.764 30 20 DBED Cc1nn(C)cc1C(=O)N1CCO[C@@H](CNC(=O)[C@@H](C)C#N)C1 1064986794 UIUOXWFRZLMVCT-JQWIXIFHSA-N 319.365 -0.155 30 20 DBED C[C@]1(NC(=O)[C@@H]2CCNC2=O)CCN(c2cncc(C#N)n2)C1 1065312575 SIWBBTPRTNOHOH-ABAIWWIYSA-N 314.349 -0.431 30 20 DBED N#Cc1nc(=NC[C@@H]2CN(C(=O)c3ccon3)CCO2)cc[nH]1 1066593149 CWLTWCMUBKLIOD-SNVBAGLBSA-N 314.305 -0.289 30 20 DBED C#Cc1ccc(C(=O)N(C)CCCN(C)C(=O)C(N)=O)cn1 1067870737 YZWVVDUENFOGSD-UHFFFAOYSA-N 302.334 -0.531 30 20 DBED CC#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H]2CCCN2C)C1 1069902968 XLTCGGRLQCQGNN-ILXRZTDVSA-N 316.409 -0.263 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)Cn2ccc(C)n2)C1 1070027595 PDSQWNCVNCIJJU-KGLIPLIRSA-N 313.365 -0.542 30 20 DBED CCNC(=O)CC(=O)NC1(CNC(=O)[C@@H](C)C#N)CCOCC1 1070082587 HSDBVIWITUCMTN-NSHDSACASA-N 324.381 -0.546 30 20 DBED C#CCN[C@@H]1CN(C(=O)Cn2cccn2)C[C@H]1c1cncn1C 1070621356 XAYVLSRHZSVPMS-ZIAGYGMSSA-N 312.377 -0.166 30 20 DBED C[C@H]1CN(C(=O)c2cnnn2C)C[C@@H]1NC(=O)C#CC1CC1 1072006056 HRALOSSBMGGPLP-JQWIXIFHSA-N 301.350 -0.195 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@@H](NC(=O)CC(N)=O)C(C)(C)C1 1073355581 QBKYEASWIOGCNT-NWDGAFQWSA-N 323.393 -0.357 30 20 DBED N#CCN1CCCO[C@@H](CNC(=O)c2cnc3[nH]nnc3c2)C1 1073639914 NMELJDXZJVLMIP-NSHDSACASA-N 315.337 -0.303 30 20 DBED CNC(=O)NCC(=O)N1CC[C@H](NC(=O)C#CC2CC2)[C@@H](C)C1 1073955145 RIRPHQTWNCGZSR-AAEUAGOBSA-N 320.393 -0.318 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@H]3OCCN(CCO)[C@@H]3C2)[nH]1 1074219798 WJFVUFKHQHPGMX-ZIAGYGMSSA-N 304.350 -0.206 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCC(O)(CNC(C)=O)CC1 1074627280 JZQZYILFJDUDRF-AWEZNQCLSA-N 307.394 -0.426 30 20 DBED Cc1nc(CC(=O)N[C@@H](C)CCNC(=O)CSCC#N)n[nH]1 1075675754 LUTQHNAXASDYTN-VIFPVBQESA-N 324.410 -0.077 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC[C@H](N(C)C(=O)CC(N)=O)CC1 1078896923 WEGAGEUTMQCHFX-STQMWFEESA-N 323.393 -0.260 30 20 DBED C#CCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)Cn2cccn2)C1 1079770718 KXRGWRVKQBNGMO-ZDUSSCGKSA-N 318.377 -0.019 30 20 DBED C=CCCN1C[C@@H](NC(=O)C2CC3(C2)NC(=O)NC3=O)[C@H](C)C1 1080599111 PWFZESDFWSSHLJ-QZCIIZHISA-N 320.393 -0.013 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CO)(NC(=O)CCN(C)C)CC1 1080989472 XUKAEPITNFOMNQ-GFCCVEGCSA-N 310.398 -0.433 30 20 DBED C#CCOCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2cocn2)C1 1081335988 ROIAARFHWJFUCV-DGCLKSJQSA-N 321.333 -0.736 30 20 DBED Cc1cc(C(=O)N2C[C@H](CNC(=O)C#CC3CC3)[C@@H](O)C2)n[nH]1 1081472399 XVMYAIYEVAWMKL-JSGCOSHPSA-N 316.361 -0.319 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cncn2C)C1 1081582484 INFXANNNCBDIDC-OCCSQVGLSA-N 318.377 -0.371 30 20 DBED C=C(C)CN1C[C@@H](NC(=O)[C@@H]2CCCN2C(N)=O)[C@H](OC)C1 1082397030 BWUOPPCWHYRJSR-FRRDWIJNSA-N 310.398 -0.079 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cccc(=O)n1C 1083188734 JSGXONYBPXCNIR-LSDHHAIUSA-N 315.373 -0.066 30 20 DBED Cn1cc(-c2oncc2C(=O)N[C@@H]2CN(CC#N)C[C@@H]2O)cn1 1083667960 TUUKKHDZLFQGGI-NEPJUHHUSA-N 316.321 -0.626 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)C[C@H]3CCS(=O)(=O)C3)[C@@H]2C1 1084497382 LYVZJDIGPQAQOV-MGPQQGTHSA-N 310.419 -0.023 30 20 DBED N#CCN1CC[C@@H]2CN(C(=O)c3cnn4c(=O)cc[nH]c34)[C@@H]2C1 1084707339 HQWQVTOSTJWEIB-ZYHUDNBSSA-N 312.333 -0.308 30 20 DBED Cc1nc(O)nc(O)c1CC(=O)N1C[C@H]2CCN(CC#N)C[C@H]21 1084737089 RFDDHUHRANAMDI-ZYHUDNBSSA-N 317.349 -0.205 30 20 DBED C=CCN1CC[C@@H]2CN(C(=O)Cn3nc(C)n(C)c3=O)[C@@H]2C1 1084805841 IVPCTFTUZTYFGI-CHWSQXEVSA-N 305.382 -0.391 30 20 DBED CC(=O)N(C)CC(=O)N[C@H](C)C[C@H](C)N=c1cc[nH]c(C#N)n1 1089249971 XYJJJTLUTVVTFJ-WDEREUQCSA-N 318.381 -0.056 30 20 DBED CC(=O)Nc1cccnc1C(=O)N[C@H]1CCN(CC#N)C[C@@H]1O 1090315624 KLKHOUZLQVWKMC-AAEUAGOBSA-N 317.349 -0.271 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(c2ncc(C#N)cc2F)C[C@H]1O 1090392333 UNUXVHOIYHYERD-CHWSQXEVSA-N 320.324 -0.039 30 20 DBED CCOCCCC(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1O 1090395369 MSRICYOXCRQFSW-CHWSQXEVSA-N 319.365 -0.169 30 20 DBED CC(=O)N[C@H](C)C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1C 1090650281 ZDBJESPMBYLZGV-GIPNMCIBSA-N 316.365 -0.186 30 20 DBED C#CCCN1CC[C@H](NC(=O)Cn2c(C)csc2=O)[C@H](O)C1 1090797500 ZWKFGKADWFPSHE-QWHCGFSZSA-N 323.418 -0.207 30 20 DBED CC(C)(O)CC(=O)N[C@H]1CCN(c2cnc(C#N)cn2)C[C@H]1O 1092146947 YIKBJROOWMOHLO-NWDGAFQWSA-N 319.365 -0.435 30 20 DBED Cc1cc(=NCCNC(=O)[C@]2(C)CNC(=O)C2)c(C#N)c[nH]1 1094005663 RSHHZDALJVMTQB-HNNXBMFYSA-N 301.350 -0.262 30 20 DBED COc1nn(C)cc1C(=O)NCCNc1nccnc1C#N 1094033264 ICKVMZLLYZROQL-UHFFFAOYSA-N 301.310 -0.068 30 20 DBED COCC(=O)N(C)CC(=O)NCCN=c1cc[nH]cc1C#N 1094190183 CTDLUINMGJUMSL-UHFFFAOYSA-N 305.338 -0.992 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)c3cnoc3CC)CC2=O)C1 1094794614 YJEBAVAFLHEESH-LLVKDONJSA-N 316.361 -0.115 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)c3cn(CC)cn3)CC2=O)C1 1094809721 OROBIJKAGNLURY-GFCCVEGCSA-N 315.377 -0.449 30 20 DBED CC(=O)NCC(=O)N1CC[C@@H](N(C)c2cnc(C#N)cn2)C1 1095088962 XYUZRXKBGHZMMT-GFCCVEGCSA-N 302.338 -0.479 30 20 DBED CNC(=O)NCC(=O)N1CC[C@H](N(C)c2ccc(C#N)nc2)C1 1095157142 QKHNTVOZGRUYCK-ZDUSSCGKSA-N 316.365 -0.081 30 20 DBED C#CCO[C@H](C)C(=O)NCCCN(C)c1ccc2nnnn2n1 1095639319 ZSMNUDLBPVMKON-LLVKDONJSA-N 317.353 -0.500 30 20 DBED COC[C@@H](OC)C(=O)NCCCN(C)c1nccnc1C#N 1095734118 XAVXKNORNWBDLH-GFCCVEGCSA-N 307.354 -0.048 30 20 DBED COCC(=O)NCCCN1CCN(c2ccnc(C#N)n2)CC1 1096245352 NQWYAPSIVCOQTN-UHFFFAOYSA-N 318.381 -0.377 30 20 DBED CC(=O)N(C)CC(=O)N[C@@H]1CCN(c2nccnc2C#N)C1 1096328823 JTRNXDRKDNEFJY-LLVKDONJSA-N 302.338 -0.479 30 20 DBED CNC(=O)CC(=O)N1CC[C@H](N=c2cc(C)[nH]cc2C#N)C1 1096933573 NTWMTBPSGZHQKZ-LBPRGKRZSA-N 301.350 -0.168 30 20 DBED C[C@@H](CC(N)=O)C(=O)N[C@H]1C[C@H](Nc2cnc(C#N)cn2)C1 1097086681 URDIIIODSHTUOJ-GUBZILKMSA-N 302.338 -0.081 30 20 DBED C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)Nc1ccc2nnnn2n1 1097778711 XYGMZGQKFXCUBL-QMMMGPOBSA-N 311.309 -0.051 30 20 DBED Cc1cc(C#N)nc(N[C@H](C)CNC(=O)Cn2cnnc2O)n1 1097788087 URLRRWFKZJEMIN-SECBINFHSA-N 316.325 -0.429 30 20 DBED C[C@@H](CNC(=O)[C@@]1(C)CNC(=O)C1)Nc1cncc(C#N)n1 1098153713 XAUSNULWIOJONA-LKFCYVNXSA-N 302.338 -0.209 30 20 DBED COCCOCC(=O)N1CC[C@H](CN=c2cc[nH]c(C#N)n2)C1 1098505144 HZFQFKWJPBRQPQ-GFCCVEGCSA-N 319.365 -0.306 30 20 DBED N#Cc1nc(=N[C@H]2CCC[C@H](NC(=O)CNC(N)=O)C2)cc[nH]1 1098590484 TVNNVFXJPKWKAB-UWVGGRQHSA-N 317.353 -0.722 30 20 DBED C#CCNCc1cn([C@@H]2CCN(C(=O)c3cnon3)C2)nn1 1098751309 KRYNLJAFYHRQKS-LLVKDONJSA-N 301.310 -0.529 30 20 DBED CNC(=O)NCCC(=O)NCC[C@H](C)Nc1nccnc1C#N 1099095767 KXMPXJHJJQKPGP-JTQLQIEISA-N 319.369 -0.026 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)c2cncs2)[C@H](O)C1 1099698346 NDWRUPOIYTXKGY-WDEREUQCSA-N 324.406 -0.390 30 20 DBED CC(C)C#CC(=O)N[C@H]1CCN(Cc2nc(O)n[nH]2)C[C@@H]1O 1099821240 SEYWJVCXFYYBIK-QWRGUYRKSA-N 307.354 -0.779 30 20 DBED CC(C)(C)C#CC(=O)N[C@@H]1CCN(CCn2cncn2)C[C@@H]1O 1099830341 QCCYXJPMQRVFLE-KGLIPLIRSA-N 319.409 -0.121 30 20 DBED C#CCOCCC(=O)N[C@H]1CCN(Cc2nc(C)no2)C[C@@H]1O 1099833059 QOOHUZQDXSIPOI-STQMWFEESA-N 322.365 -0.531 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2ccnnc2C)[C@H](O)C1 1099907110 RVFJMRKWWAKOPR-LSDHHAIUSA-N 318.377 -0.400 30 20 DBED C=CCN1CC[C@H](NC(=O)CNC(=O)c2cccnc2)[C@@H](O)C1 1100010497 IEKGAAFOPQZRRP-KBPBESRZSA-N 318.377 -0.451 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1CC(NCc2ncnn2C)C1 1100322659 QGVZSBIVZLTCOE-HIFPTAJRSA-N 305.382 -0.162 30 20 DBED CC#CCNC1CC(CNC(=O)[C@H]2CC(=O)N(CCOC)C2)C1 1100377483 BGAWGYWRGUVIMZ-SLTAFYQDSA-N 321.421 -0.011 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CC(CNC(=O)c2csnn2)C1 1100542818 YNDJAOSFTGWBPM-KPPDAEKUSA-N 321.406 -0.226 30 20 DBED Cc1ccnn1CC(=O)NCC1CC(NCC(=O)NCC#N)C1 1100714244 DWSVWULVWSPHPF-UHFFFAOYSA-N 318.381 -0.684 30 20 DBED CCN(CCNC(=O)[C@@H]1CCC(=O)NC1)c1nccnc1C#N 1100765362 FTKNQRBJUJTLIC-LLVKDONJSA-N 316.365 -0.183 30 20 DBED CCN1CCO[C@H](C(=O)N(C)CCNc2nccnc2C#N)C1 1101638682 ZBNDYFZAHUPKBT-ZDUSSCGKSA-N 318.381 -0.061 30 20 DBED COCC#CCN1C[C@@H](C)[C@H](CNC(=O)[C@@H]2COCCN2C)C1 1101885288 SLARLKMRUZJAIF-OAGGEKHMSA-N 323.437 -0.349 30 20 DBED CC(=O)N[C@H](C)C(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(C#N)n1 1102538219 POLCUWFSTSMIJC-USWWRNFRSA-N 314.349 -0.338 30 20 DBED COC[C@H](OC)C(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(C#N)n1 1102570966 CRNLUOOQWNYSJI-SRVKXCTJSA-N 317.349 -0.201 30 20 DBED Cc1nc(N2CC[C@@H](N(C)C(=O)CNC(N)=O)C2)ccc1C#N 1102668036 CJPANKIKMTVCEG-GFCCVEGCSA-N 316.365 -0.033 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)[C@H]1CCN(C)C1=O 1104772162 UITFQQKEYMYEQI-MNOVXSKESA-N 316.365 -0.493 30 20 DBED C=CCNCc1cn(C2CN(C(=O)CCn3cnnn3)C2)nn1 1105348230 YEJQWSPTFDQSAI-UHFFFAOYSA-N 317.357 -0.986 30 20 DBED N#CCNCc1cn(C2CN(C(=O)[C@@H]3C[C@]34CCOC4)C2)nn1 1105357622 HHAXRQSWXDMYSQ-ZFWWWQNUSA-N 316.365 -0.299 30 20 DBED CN(CCN(C)c1cncc(C#N)n1)C(=O)CCn1ccnn1 1105381766 OILCVRCEWMTJHI-UHFFFAOYSA-N 314.353 -0.075 30 20 DBED Cc1ocnc1C(=O)NC[C@@H](O)CNc1cncc(C#N)n1 1105729708 SHVSPOKICVMRKK-JTQLQIEISA-N 302.294 -0.153 30 20 DBED N#Cc1nc(=NC[C@H](O)CNC(=O)c2ccncc2F)cc[nH]1 1105762380 OSRLMJUTDSIYBM-VIFPVBQESA-N 316.296 -0.493 30 20 DBED CCOCCOCC(=O)NC[C@H](O)CNc1ccc(C#N)nn1 1105871022 DKCOBSHUPMGOSL-GFCCVEGCSA-N 323.353 -0.710 30 20 DBED C=CCO[C@H](C)C(=O)NC[C@H](O)CNc1ccc(C#N)nn1 1105892030 OPOZJPSVHZYTGR-ZYHUDNBSSA-N 305.338 -0.172 30 20 DBED C[C@@]1(C(=O)NC[C@H](O)CNc2ccc(C#N)nc2)CCNC1=O 1106104705 PIDDIBUVSJAITD-IUODEOHRSA-N 317.349 -0.632 30 20 DBED Cc1c[nH]c(C(=O)NC[C@@H](O)CN=c2cc[nH]cc2C#N)n1 1106135083 LEDNHNHXSYFCGZ-NSHDSACASA-N 300.322 -0.391 30 20 DBED C[C@@H]1OCCO[C@@H]1C(=O)NC[C@@H](O)CNc1nccnc1C#N 1106160359 ATMOZBYVFSZBBX-NHCYSSNCSA-N 321.337 -0.959 30 20 DBED C#CCNC[C@@H]1CN(C(=O)[C@@H]2CCc3nnc(O)n3C2)C[C@H]1C 1106335004 KAOQCXXQYIUMDB-JHJVBQTASA-N 317.393 -0.137 30 20 DBED C=CCN1CC(n2cc(CNC(=O)CCn3ccnn3)nn2)C1 1107161956 GEBREQKUYWGCBN-UHFFFAOYSA-N 316.369 -0.381 30 20 DBED CNC(=O)NCC(=O)N[C@H](C)CNc1nc(C)cc(C#N)n1 1108184929 BLDQVOIRVAWKOH-SECBINFHSA-N 305.342 -0.498 30 20 DBED Cc1cc(C#N)nc(NC[C@H](C)NC(=O)[C@@H]2CNC(=O)N2)n1 1108668740 FVZYQHDDBAQOTL-WPRPVWTQSA-N 303.326 -0.745 30 20 DBED C[C@@H](CN(C)c1cncc(C#N)n1)NC(=O)[C@H]1CC(=O)N(C)C1 1109296730 ZIJJNJNCHYFVHS-QWRGUYRKSA-N 316.365 -0.233 30 20 DBED C#CCNC(=O)CC(=O)N(C)CCCNc1nccc(OC)n1 1109409328 WXUZECULRPIVEU-UHFFFAOYSA-N 319.365 -0.115 30 20 DBED N#Cc1ccc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)CCCC(N)=O)nn1 1109711885 NZORJIONOFUMQY-BPYAMOTFSA-N 314.349 -0.303 30 20 DBED C[C@]1(NC(=O)CNC(N)=O)CCN(c2ncc(C#N)cc2F)C1 1110709212 VBNNRWJVKJZDPZ-AWEZNQCLSA-N 320.328 -0.154 30 20 DBED C=CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCn1cc[nH]c(=O)c1=O 1111151622 FSEUIHUCKFIVKM-UPJWGTAASA-N 318.377 -0.166 30 20 DBED CCOCCC(=O)N(C)[C@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1111174478 MLXAGHUBWZAHOG-STQMWFEESA-N 319.365 -0.217 30 20 DBED Cn1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCC#N)n1 1111406795 AKTDWHAQVHYDTF-RTXFEEFZSA-N 316.365 -0.605 30 20 DBED Cc1cc(C(=O)N(CCO)CCNc2ccc(C#N)nn2)n[nH]1 1111439652 ZLLAATNGXPHVIG-UHFFFAOYSA-N 315.337 -0.074 30 20 DBED N#Cc1ccc(N2CCOC[C@H]2CNC(=O)CC(N)=O)cn1 1111679324 JYEUDRSXKQHBFM-GFCCVEGCSA-N 303.322 -0.850 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)C2=COCCO2)CC1 1112600893 SNKYUXQHANMWCV-GFCCVEGCSA-N 307.350 -0.843 30 20 DBED C#CCNC(=O)CC(=O)N1CCN(Cc2snnc2C)CC1 1112777666 HPVZTKGNFBAWIH-UHFFFAOYSA-N 321.406 -0.370 30 20 DBED Cc1cc(=N[C@H](C)[C@H](C)NC(=O)Cn2cnnn2)c(C#N)c[nH]1 1112905101 HXWGUVBIXUKEEO-MNOVXSKESA-N 314.353 -0.325 30 20 DBED C[C@@H](CNC(=O)CCNC(N)=O)N(C)c1ccc(C#N)cn1 1113609612 OYJKXXAATLUVQS-JTQLQIEISA-N 304.354 -0.047 30 20 DBED C[C@H](CNC(=O)CCn1cnnn1)N(C)c1ccc(C#N)nn1 1113686166 UURUCLUAODGRFN-SNVBAGLBSA-N 315.341 -0.634 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1[C@@H]2CN(CC#CCOC)C[C@@H]12 1114421944 UCGNXIAFOBMZPQ-OAGGEKHMSA-N 315.417 -0.220 30 20 DBED C=CCOCCN1C[C@H]2[C@H](NC(=O)[C@H]3CN(C)C[C@@H](C)O3)[C@H]2C1 1114453869 ROWGVCJAWKGROG-LJIZCISZSA-N 323.437 -0.046 30 20 DBED C=CCCCN1C[C@H]2C(NC(=O)Cn3ncn(C)c3=O)[C@@H]2C1 1114494165 UHSWRAIEKWJKDJ-VXGBXAGGSA-N 305.382 -0.406 30 20 DBED C[C@H](CCCNc1cnc(C#N)cn1)NC(=O)Cn1cnnn1 1114839281 WEFGWCNOKPCYDC-SNVBAGLBSA-N 315.341 -0.268 30 20 DBED C=CCC(C)(C)C(=O)NC1[C@H]2CN(CC(=O)NC(N)=O)C[C@H]12 1114896975 TWOARPGVDLIXOV-UWVGGRQHSA-N 308.382 -0.170 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]32)nc1 1115144340 VFTKQZNCLCAZTE-VIKVFOODSA-N 323.356 -0.637 30 20 DBED COCC#CCN1C[C@@H]2C(NC(=O)CNC(=O)C(C)(C)C)[C@H]2C1 1115231298 FYEDQVNDRKREJO-STQMWFEESA-N 321.421 -0.155 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@H]1[C@@H]2CN(CC(=O)NC3CC3)C[C@@H]21 1115332633 PNPHCEALNTZSMF-MUYACECFSA-N 307.394 -0.098 30 20 DBED N#Cc1nc(=NCCCOCCNC(=O)[C@H]2CCOC2)cc[nH]1 1115388208 CNWOGBNYAMEEFU-LBPRGKRZSA-N 319.365 -0.259 30 20 DBED COCCOCC(=O)N(C)C[C@@H](C)N=c1cc[nH]c(C#N)n1 1115659594 CPXSHUYFACXAAN-LLVKDONJSA-N 307.354 -0.308 30 20 DBED C[C@H](CN(C)C(=O)[C@@H]1CN(C)CCO1)Nc1cnc(C#N)cn1 1115664577 UBVWLRDMWKSZAR-YPMHNXCESA-N 318.381 -0.062 30 20 DBED CS(=O)(=O)N1CC[C@@H](CNS(=O)(=O)CCCC#N)C1 1116371993 HCPNYWFUGRKLCT-JTQLQIEISA-N 309.413 -0.509 30 20 DBED C[C@H](O)[C@@H]1CCCN(C(=O)C(=O)NC2CCN(CC#N)CC2)C1 1117327060 USBCFFRGXSPHDE-QWHCGFSZSA-N 322.409 -0.290 30 20 DBED C#C[C@@H](NC(=O)C(=O)NCCNC(=O)C(C)C)[C@H]1CCCO1 1117527654 BQTCFWJXFRWJAP-VXGBXAGGSA-N 309.366 -0.828 30 20 DBED CCCN1CCC(NC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)CC1 1118207273 IYONBYDRUFBVCY-INIZCTEOSA-N 322.409 -0.146 30 20 DBED C#CC1CCN(C(=O)C(=O)NC[C@H]2CC(=O)N(CC)C2)CC1 1118299899 OWKOPTJDIAQQON-CYBMUJFWSA-N 305.378 -0.157 30 20 DBED C#CC1CCN(c2nnnn2C[C@@H]2CC[C@@H](C(N)=O)O2)CC1 1120285831 REFCFZKPWCNWPQ-RYUDHWBXSA-N 304.354 -0.444 30 20 DBED COCCOCC(=O)NC[C@@H](CO)Nc1ccc(C#N)nc1 1121213501 RDCIYDYVGGNCND-ZDUSSCGKSA-N 308.338 -0.495 30 20 DBED N#Cc1nccnc1N[C@@H](CO)CNC(=O)c1ccc(O)nc1 1121549723 FPLVCVOFCQEKMH-SNVBAGLBSA-N 314.305 -0.348 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)Cc2cnc[nH]2)nn1 1122622905 RMSLEXMSUFGFLC-LLVKDONJSA-N 301.310 -0.797 30 20 DBED CCC(=O)N[C@@H](C)C(=O)NC[C@H](CO)Nc1ncccc1C#N 1122752247 KJAUZPBRMXVJCC-CMPLNLGQSA-N 319.365 -0.243 30 20 DBED N#Cc1cncc(N[C@H](CO)CNC(=O)[C@@]23COC[C@@H]2C3)n1 1122760471 IYVHOEARXNMFEG-CHIMOYNISA-N 303.322 -0.726 30 20 DBED CC(=O)N(C)CC(=O)N1CC[C@@H](N=c2cc[nH]c(C#N)n2)[C@@H]1C 1122989462 UZKYDDJPRPSHAB-CMPLNLGQSA-N 316.365 -0.350 30 20 DBED CC(=O)NCC(=O)N[C@H]1CCCN(c2ccc(C#N)nn2)[C@@H]1C 1123512099 BTSNLPMKZPMFRL-MFKMUULPSA-N 316.365 -0.042 30 20 DBED N#CCSCC(=O)NCCNCc1cc(=O)n2nccc2[nH]1 1123792154 KPFUPDMEDFEGRP-UHFFFAOYSA-N 320.378 -0.515 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)c1ccon1 1124192007 VFLJMVUOAGJSTD-VIFPVBQESA-N 309.326 -0.606 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)c1ccn(C)n1 1124353071 SZZONUYUCJAARP-JTQLQIEISA-N 315.337 -0.951 30 20 DBED CCCN(C)CC(=O)N(C)C[C@@H](O)CN=c1cc[nH]c(C#N)n1 1124442479 SHOTYYHKXBHFKT-LBPRGKRZSA-N 320.397 -0.657 30 20 DBED COCCN(CCNC(=O)c1cnon1)c1cncc(C#N)n1 1126403635 KZDVXFRZIBKNPM-UHFFFAOYSA-N 317.309 -0.386 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)c1cnc(N(C)C)cn1 1127285344 WXAUAXHFAYIANH-LLVKDONJSA-N 320.397 -0.447 30 20 DBED COCC#CCNCCNC(=O)CNC(=O)c1ccncc1 1127902254 LKIIZDIJPRWSFC-UHFFFAOYSA-N 304.350 -0.833 30 20 DBED C#CCCCC(=O)N1C[C@H](n2ccnn2)[C@H](NC[C@H](C)O)C1 1129834164 NUKZXNFKHSKPIG-MJBXVCDLSA-N 305.382 -0.196 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)[C@H]2CCC(=O)NC2)C1=O 1130702250 JJWWBWRJNUZUAK-NWDGAFQWSA-N 308.382 -0.995 30 20 DBED C#CCNC(=O)CN1C[C@@H](F)C[C@@H]1c1n[nH]c(CNC(C)=O)n1 1131138781 VKTDOMOXFVGOSM-WDEREUQCSA-N 322.344 -0.725 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)[C@@H]2[C@H]3COC[C@H]32)CC[C@@H]1C 1132228985 YXYTZZUVSATWLG-GRYWWWGRSA-N 319.405 -0.403 30 20 DBED C[C@@H]1CC[C@H](NC(=O)CCCS(N)(=O)=O)CN1CC#N 1132252365 DFZRQHFODKDXKV-MNOVXSKESA-N 302.400 -0.452 30 20 DBED C#CCCN1C[C@@H](NC(=O)CS(=O)(=O)N(C)C)CC[C@@H]1C 1132453399 OHEWBBGBYBYZPL-STQMWFEESA-N 315.439 -0.130 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](C)[C@@H](CNCCOC)C1 1132760686 AZUDYMVIEZHHDI-KBPBESRZSA-N 309.410 -0.154 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)c1cc(C)nn1C 1133831778 XDJHFBNQAYDBMC-NEPJUHHUSA-N 319.409 -0.036 30 20 DBED C=CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)CCc1cnn[nH]1 1135496786 LRSNQFIFWCFFEQ-RYUDHWBXSA-N 322.413 -0.088 30 20 DBED C=CC(C)(C)C(=O)N1CC2(CCN(CC(=O)NC(N)=O)C2)C1 1148024461 MBLGHUXOACAKPF-UHFFFAOYSA-N 308.382 -0.072 30 20 DBED C=CCN1CCCO[C@@H](CNC(=O)CS(=O)(=O)N(C)C)C1 1150654271 VZNPBXYVVHZKDD-LBPRGKRZSA-N 319.427 -0.729 30 20 DBED CCN(CC#N)[C@H](C)CNC(=O)CCn1cc[nH]c(=O)c1=O 1155850973 OZRKEABAAZYWRK-LLVKDONJSA-N 307.354 -0.723 30 20 DBED C#CCNC(=O)CC(=O)NCCCNC[C@H]1CCc2ncnn21 1156852800 OAIGFELVYGJTOC-GFCCVEGCSA-N 318.381 -0.999 30 20 DBED N#CCNC(=O)CNCCCNC(=O)c1ccn2cncc2c1 1161859949 LAAIKSRXDKXWIE-UHFFFAOYSA-N 314.349 -0.316 30 20 DBED C=CCNC(=O)CNCCCNC(=O)Cc1cn(CC)nn1 1163000519 TXXZWLYKNAATAU-UHFFFAOYSA-N 308.386 -0.761 30 20 DBED C#CCNC(=O)CNCCCNC(=O)C[C@H](C)n1ccc(C)n1 1163867045 UXNFINBASIGWSM-AWEZNQCLSA-N 319.409 -0.012 30 20 DBED C#Cc1cncc(C(=O)NCCCNCCNS(C)(=O)=O)c1 1166305305 RPJCWBPOSIVONS-UHFFFAOYSA-N 324.406 -0.678 30 20 DBED C#CCCN1CCO[C@@H]2CCN(C(=O)CCCC(N)=O)C[C@H]21 1177162461 LPBBAWZMAOKDEZ-ZIAGYGMSSA-N 307.394 -0.033 30 20 DBED CN(CC(=O)NCCCNCC(=O)NCC#N)c1ccccc1 1177336565 MIGQOODCHPCPBA-UHFFFAOYSA-N 317.393 -0.142 30 20 DBED COCC#CCN[C@H]1CCN(C(=O)[C@@H]2CC(=O)N(C)C2)[C@H]1C 1178814336 QYGMQHPOBQQJMM-MJBXVCDLSA-N 307.394 -0.307 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2ccc(O)nc2)[C@H]1C 1180050539 YRSCIFNXCDUNNX-AAEUAGOBSA-N 316.361 -0.271 30 20 DBED Cc1nnsc1C(=O)N1CC[C@@H](NCC(=O)NCC#N)C1 1180871203 RIQGXSIPBQYJON-SECBINFHSA-N 308.367 -0.710 30 20 DBED N#CCNC(=O)CN1C[C@@H]2CCN(C(=O)CSCC#N)[C@@H]2C1 1186917161 IFLHYPNGAPNCTN-NWDGAFQWSA-N 321.406 -0.584 30 20 DBED COCC#CCN1C[C@@H]2CCN(C(=O)c3cnnn3C)[C@@H]2C1 1187714077 LFZKQUDGNOKNGG-GXTWGEPZSA-N 303.366 -0.389 30 20 DBED CN(C)CCC(=O)N1CC[C@H]2CN(CC(=O)NCC#N)C[C@H]21 1189035383 WWRYYRCSHOQPFQ-QWHCGFSZSA-N 307.398 -0.889 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)c2ccco2)C1 1190676133 JMFACXQUGIUMLW-QJPTWQEYSA-N 305.334 -0.808 30 20 DBED CC(C)(C)/C=C/C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1O 1191833138 PCYHILOAHOOPBI-GKUNOOHESA-N 308.382 -0.610 30 20 DBED Cc1csc(=O)n1CCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)C#N)C1 1191880609 BXOYTAGVXVFMOO-MVWJERBFSA-N 324.406 -0.461 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)c2[nH]c(O)nc2C)C1 1193960960 KETLFQFHZHAXSM-GHMZBOCLSA-N 310.354 -0.599 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@H]1CCN(C(=O)c2ccn(C)n2)C1 1194026697 IWSCSZWNJOZZSJ-STQMWFEESA-N 317.393 -0.296 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)c2cncnc2O)CC1 1196242922 POCHKHFCGZSXRN-UHFFFAOYSA-N 319.365 -0.368 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@@](C)(NC(C)=O)C2CC2)C1 1197752211 JLSLGBYSYYZJPG-FMKPAKJESA-N 307.394 -0.524 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)[C@H](NC(N)=O)C(C)(C)C)C1 1197811922 BVTAXJKKEVXBQS-UTUOFQBUSA-N 312.414 -0.193 30 20 DBED CC(=O)N[C@H](CCC(C)C)C(=O)N[C@@H]1CN(CC#N)C[C@H]1O 1199559483 HIVRRVXGHABTFI-MGPQQGTHSA-N 310.398 -0.388 30 20 DBED C#CCNC[C@@H]1CN(C(=O)c2cc(=O)c(OC)c[nH]2)CCCO1 1200965017 BVMIGBIEWFVJIZ-GFCCVEGCSA-N 319.361 -0.163 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)[C@]2(C)CCC(=O)N2)CCCO1 1201359144 JLAPISSGHGNFPI-CJNGLKHVSA-N 307.394 -0.115 30 20 DBED C=C(C)CNC1CCN(C(=O)CNC(=O)Cn2cncn2)CC1 1203875913 BEEPXODMRZQOHC-UHFFFAOYSA-N 320.397 -0.449 30 20 DBED CCC(=O)NCC(=O)N1CCC(CNCC#CCOC)CC1 1204810922 ACHXRDJOTOSEJV-UHFFFAOYSA-N 309.410 -0.009 30 20 DBED COCC#CCNCC1CCN(C(=O)CN2CCOCC2)CC1 1205004718 VMICCHIDPQGLDL-UHFFFAOYSA-N 323.437 -0.203 30 20 DBED C#CCCNCC1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)CC1 1205479790 YEFPGBZDDWIJSP-LBPRGKRZSA-N 306.366 -0.564 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)Cc2cnc[nH]2)CC1 1206401336 GXKOAZHTHFJDFN-UHFFFAOYSA-N 317.393 -0.470 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCN(C(=O)c2cncs2)C1 1207545590 BNFNQKQSDKLXLK-SNVBAGLBSA-N 307.379 -0.023 30 20 DBED C=CCn1cc(C(=O)N2CCC[C@H](NCC(=O)NC)C2)nn1 1210009528 HTVOHLNYJOIIIJ-NSHDSACASA-N 306.370 -0.596 30 20 DBED CCC[C@H](C)C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1OC 1212052692 AZEKQJHYQXSGKF-YNEHKIRRSA-N 310.398 -0.122 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@@H](C)CN1CCOCC1 1213863750 ROPLIRJXNUDAEV-BFHYXJOUSA-N 310.398 -0.706 30 20 DBED CC#CCN1C[C@@H](NC(=O)CS(=O)(=O)CC)[C@H](OC)C1 1213925624 IXIAAPDFKXBQEM-VXGBXAGGSA-N 302.396 -0.740 30 20 DBED C=CCOCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1[nH]nnc1C 1218408552 CBWBOIAFEYWDHT-QWHCGFSZSA-N 321.381 -0.159 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C2(C)CC=CC2)C1 1220273351 IPTNYXNKDHBTLU-OLZOCXBDSA-N 305.378 -0.747 30 20 DBED C=CCC(C)(C)C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[nH]2)C[C@@H]1O 1220434738 ZNMPNBXZJMAGET-MNOVXSKESA-N 323.397 -0.628 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)c2cnn(CCCOC)c2)C1 1220710230 KMGIWWIWINFTKU-CABCVRRESA-N 320.393 -0.282 30 20 DBED CNC(=O)NC(=O)CN1CC[C@@H]2CCN(C(=O)[C@H](C)C#N)C[C@@H]21 1222443466 XTIDIGGLEFLWTD-UTUOFQBUSA-N 321.381 -0.476 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)[C@@H]2CCO[C@H]2C)CC1 1224948190 VXPUMFQNZYCBBB-DZGCQCFKSA-N 321.421 -0.011 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)c2cnc(C)cn2)CC1 1225875636 UABNGJKBJCSOHO-UHFFFAOYSA-N 315.377 -0.271 30 20 DBED COCC#CCN1CCC(NC(=O)CNC(=O)C2CC2)CC1 1226252442 IUSYZVIKJVVAOW-UHFFFAOYSA-N 307.394 -0.257 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCC(NC(=O)[C@H](C)CC(N)=O)CC1 1228588803 HBTBZRKWYXJSSR-VXGBXAGGSA-N 324.425 -0.231 30 20 DBED CN(C[C@H]1CCN1CC(=O)NCC#N)C(=O)c1cscn1 1231198488 QOCCQIMDVONLCG-SNVBAGLBSA-N 307.379 -0.071 30 20 DBED CCOCCNC(=O)CN1CC[C@H]1CN(C)C(=O)[C@@H](C)C#N 1231246858 INFWEEVLNSNTRX-STQMWFEESA-N 310.398 -0.169 30 20 DBED C=C(Cl)CN1CC[C@@H]1CN(C)C(=O)C[C@@H]1NC(=O)NC1=O 1235473894 YEDLZXNCSUEZFY-ZJUUUORDSA-N 314.773 -0.130 30 20 DBED C=CC[C@@H](C)NC(=O)C(=O)Nc1cc(C)n(CC(=O)NC)n1 1253957199 XCEJNHIWERVRPL-SECBINFHSA-N 307.354 -0.043 30 20 DBED C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1CCO[C@@H](C#N)C1 1257058660 BWCJBRCHUADURH-STQMWFEESA-N 308.382 -0.272 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)c2ccc(C)n2C)C1 1265271371 XUZOVCDOGRFKSV-ZDUSSCGKSA-N 302.378 -0.113 30 20 DBED COc1cc(C(=O)N[C@@H]2CCN(CC(=O)NCC#N)C2)sn1 1265286422 UYIVCSIAAHWUJX-SECBINFHSA-N 323.378 -0.404 30 20 DBED CS[C@@H](CO)[C@@H](C)NC(=O)C(=O)Nc1cnn(CC#N)c1 1319347187 JGKJDZBKCDYENS-SCZZXKLOSA-N 311.367 -0.426 30 20 DBED COCCN1CC[C@H](NC(=O)C(=O)N2CC[C@@](F)(C#N)C2)C1 1322811946 QGDIERRFTPFOTM-SMDDNHRTSA-N 312.345 -0.713 30 20 DBED C=CCCCNC(=O)C(=O)N1CCN(CC(=O)N(C)C)CC1 1323678644 UYQJAGMUBXTNRE-UHFFFAOYSA-N 310.398 -0.699 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCC[C@H](N2CCCC2=O)C1 1323698404 JZBYRCVRKAXDCT-ZDUSSCGKSA-N 321.377 -0.634 30 20 DBED CCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N1CC[C@@](F)(C#N)C1 1323723617 JSJCKAVRKHBTOB-MISXGVKJSA-N 313.329 -0.239 30 20 DBED C[C@@H](CNC(=O)C(=O)N1CC[C@](O)(CC#N)C1)Cn1cccn1 1326069139 HXCWNQFUBFCRLB-SWLSCSKDSA-N 319.365 -0.488 30 20 DBED C[C@@H]1[C@@H](CO)CCCN1C(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1326545589 RGLLBHAGELGAKD-JMSVASOKSA-N 309.366 -0.517 30 20 DBED C#CCCCCNC(=O)C(=O)N1CCN(CC(=O)NCC)CC1 1326757257 NXWZIFMAONBHBS-UHFFFAOYSA-N 322.409 -0.814 30 20 DBED Cn1nnc(Br)c1C(=O)N[C@H]1CCCN(O)C1=O 1326799215 JJVTXTXFANEMDW-YFKPBYRVSA-N 318.131 -0.312 30 20 DBED CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1327038654 JEWQVAVMRQLGRS-WFASDCNBSA-N 308.382 -0.584 30 20 DBED C=CCOCCNC(=O)C(=O)N1C[C@@H](C(=O)OC)[C@H](C2CC2)C1 1327067784 NBENLKNZRCJMSR-QWHCGFSZSA-N 324.377 -0.037 30 20 DBED C#CCSCCNC(=O)C(=O)N[C@@H]1CCc2n[nH]cc2C1 1327606609 OGPLZCFXXVFZQR-LLVKDONJSA-N 306.391 -0.134 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N(C)Cc1cn(C)nn1 1327799529 OQHFALXUXAAQSZ-UHFFFAOYSA-N 307.354 -0.728 30 20 DBED N#CC1CCN(C(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC1 1328028881 LAPAMEZQYXGQFH-UONOGXRCSA-N 320.393 -0.272 30 20 DBED C=CC[C@H](NC(=O)C(=O)NCc1nnn(C)n1)c1ccncc1 1328794993 XECZWNQAYVCVPB-NSHDSACASA-N 315.337 -0.345 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N[C@@H](C)c1nnnn1C1CC1 1329943935 JEJXEBQERQTRHQ-IUCAKERBSA-N 308.342 -0.498 30 20 DBED Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)N(CC#N)C1CC1 1330788466 ZYORMZRHOBEDLL-UHFFFAOYSA-N 310.335 -0.630 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CCC[C@@]2(CC)CO)nn1 1332043657 LZYHSNNIISPLCX-HNNXBMFYSA-N 321.381 -0.156 30 20 DBED C=CCN(C(=O)C(=O)N1CC[C@@H](CC(N)=O)C1)[C@@H](C)COC 1333466485 DLIBUVOSNVDNRX-RYUDHWBXSA-N 311.382 -0.240 30 20 DBED O=C(NCCN/C(O)=C1/N=CC=CC1=O)NCCN1CCC1 1335448640 JGMULYIPBYBXFW-SEYXRHQNSA-N 307.354 -0.482 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCC[C@@H](CCC(=O)OC)C1 1336367673 QKEMTTQEPJAOCU-ZDUSSCGKSA-N 324.377 -0.056 30 20 DBED C#CCN1CCC[C@H](NC(=O)N2CC(=O)N(CCOC)C2)C1 1337017105 VGENUOYYAIABPL-ZDUSSCGKSA-N 308.382 -0.458 30 20 DBED N#C[C@@]1(F)CCN(C(=O)C(=O)N[C@H]2CCCS(=O)(=O)C2)C1 1342119993 JIFDTVRHROETJH-CABZTGNLSA-N 317.342 -0.856 30 20 DBED C[C@@H](Cn1cccn1)NC(=O)C(=O)N1CC[C@](O)(CC#N)C1 1345838771 DHQWVIBGFDUTLN-SMDDNHRTSA-N 305.338 -0.735 30 20 DBED N#CC[C@@H]1CCCN(C(=O)C(=O)NCc2nnc3n2CCC3)C1 1347415343 DVQYNDLJRGQIFQ-NSHDSACASA-N 316.365 -0.007 30 20 DBED Cc1cc(NC(=O)C(=O)N[C@@H](C)C(=O)N(C)C)ncc1C#N 1349788173 WMPXPWPNMXEEKS-VIFPVBQESA-N 303.322 -0.207 30 20 DBED N#CC[C@]1(O)CCN(C(=O)CS[C@H]2CCS(=O)(=O)C2)C1 1363120600 DFGYNLZKGXYSNR-JQWIXIFHSA-N 318.420 -0.216 30 20 DBED C=C(Cl)CN1CC[C@H](NC(=O)CCCS(N)(=O)=O)C1 1367015280 CHWGOJYVUNENSC-JTQLQIEISA-N 309.819 -0.002 30 20 DBED C=C(Br)CNC1(CNC(=O)Cn2ncnn2)CC1 1368002759 LAWQMJCRJYKUFJ-UHFFFAOYSA-N 315.175 -0.180 30 20 DBED Cc1cnn(CCC(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)c1 1371529675 WAOBTSLEQODJNC-XQQFMLRXSA-N 319.365 -0.571 30 20 DBED C[C@@H](C#N)C(=O)NC1CCN(C(=O)CN2CCOCC2=O)CC1 1372129599 OQDQRIUHHXCVSD-NSHDSACASA-N 322.365 -0.888 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(CCNC(=O)[C@H]2CCCN2C)CC1 1372208473 JGUIWDYLOBHKLL-UONOGXRCSA-N 321.425 -0.499 30 20 DBED C=C(Cl)CN[C@@H](CC)CNC(=O)CN1CCN(C)C(=O)C1 1373771161 QDHDYLVXTKCAIB-LBPRGKRZSA-N 316.833 -0.003 30 20 DBED C[C@@H](C#N)C(=O)NCCN1CCN([C@H](C)c2nnnn2C)CC1 1376075792 BPBQKRBXRCTUFR-NWDGAFQWSA-N 320.401 -0.835 30 20 DBED CC(=O)N1CC(C(=O)NCCN(C)C(=O)c2ccc(C#N)[nH]2)C1 1397903949 QREBMXOMUMFEMX-UHFFFAOYSA-N 317.349 -0.447 30 20 DBED COCC(=O)N[C@H](C(=O)NC1CN(C(=O)[C@H](C)C#N)C1)C(C)C 1398607007 SPCIIPSYLCXDOF-MFKMUULPSA-N 324.381 -0.740 30 20 DBED COCCN(CCNC(=O)c1csnn1)C(=O)[C@@H](C)C#N 1405762465 QGHUYEBOIBLYQL-VIFPVBQESA-N 311.367 -0.097 30 20 DBED CNC(=O)NCCC(=O)N[C@@H](C)C1CN(C(=O)[C@H](C)C#N)C1 1411933963 IDELSZQRYZGCET-ZJUUUORDSA-N 309.370 -0.572 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)Cc2cc[nH]n2)C1 1417435094 RHJFZLNODYOLRG-YGRLFVJLSA-N 305.338 -0.809 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1C[C@@H](NCC(=O)NC(=O)NC2CC2)C1 1417761062 GJQMZMRRSNYXNM-FOGDFJRCSA-N 321.381 -0.381 30 20 DBED Cc1n[nH]c(C)c1CCNC(=O)Cn1cc(C#N)c(O)nc1=O 1417836827 DJFFTXJGJTXDNR-UHFFFAOYSA-N 316.321 -0.481 30 20 DBED N#Cc1cn(CCC(=O)NCc2ccns2)c(=O)nc1O 1418472349 PWWRNYRNAQGJIX-UHFFFAOYSA-N 305.319 -0.016 30 20 DBED CC(C)(C#N)CS(=O)(=O)NCC1CN(S(C)(=O)=O)C1 1423983452 KTBLZISNSVLEOD-UHFFFAOYSA-N 309.413 -0.653 30 20 DBED C[C@@H](CN1CCOCC1)C(=O)NCCN(C)C(=O)[C@H](C)C#N 1429269496 OTXFUPQWZYPGFG-OLZOCXBDSA-N 310.398 -0.311 30 20 DBED COCC(=O)N(C)CC(=O)N[C@@]1(C)CCN(C(=O)[C@H](C)C#N)C1 1432562516 NYFXREUMQKXECA-ABAIWWIYSA-N 324.381 -0.642 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1coc(CC2CC2)n1 1433334014 GFCRCCLCXURTBZ-MWLCHTKSSA-N 320.349 -0.006 30 20 DBED Cc1nn(C)cc1CNC(=O)Cn1cc(C#N)c(O)nc1=O 1447626179 KSCMRLBVYPGALM-UHFFFAOYSA-N 302.294 -0.821 30 20 DBED COC(=O)NCC(=O)N1CC(CNC(=O)c2cc(C#N)c[nH]2)C1 1456456847 MQQKWOTVLYTWKT-UHFFFAOYSA-N 319.321 -0.569 30 20 DBED CC(C)c1nnnn1CC(=O)N(C)CCN(C)C(=O)[C@H](C)C#N 1457798876 UAIWPTYUZAGGCE-LLVKDONJSA-N 321.385 -0.127 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CCCN(C(=O)Cn2cnnn2)C1 1495340457 QSXGHRSXHJGZEM-QWRGUYRKSA-N 305.342 -0.718 30 20 DBED C=C(Cl)CN(C)C[C@@H](C)NC(=O)CN1CCNC(=O)C1 1498357917 WBGCGJBPKAPFHH-LLVKDONJSA-N 302.806 -0.393 30 20 DBED CNC(=O)[C@H]1CCCN(c2cnc(-c3nn[nH]n3)c(C#N)n2)C1 1579387267 XSYXOHKXVZQSRE-QMMMGPOBSA-N 313.325 -0.509 30 20 DBED C#CC[C@H](NC(=O)C1=CC=CN2CCS(=O)(=O)N=C12)C(=O)O 1588398012 AUXVZLBBNWINOT-JTQLQIEISA-N 323.330 -0.923 30 20 DBED C#CC[C@H](NC(=O)[C@H]1C[C@@H](O)CN1c1ccncn1)C(=O)O 1588404824 AHVIWPFQMWVXKR-OUAUKWLOSA-N 304.306 -0.991 30 20 DBED C#CCNC(=O)CNCC1(NC(=O)[C@H]2C[C@H]2C(=O)O)CCCC1 1588483561 ASFUXHFRJKPFHW-NWDGAFQWSA-N 321.377 -0.525 30 20 DBED CC(=NN[C@@H]1CCCS(=O)(=O)C1)c1cn(CC(=O)O)nn1 1588486183 SYABSXIGEFYMEN-SECBINFHSA-N 315.355 -0.747 30 20 DBED C=CCOCC(=O)NC[C@H]1C[C@H](NC(=O)[C@H]2C[C@@H]2C(=O)O)C1 1588851036 QIHSQINGPWIQRQ-BJDJZHNGSA-N 310.350 -0.079 30 20 DBED CCCCNC(=O)NC(=O)Cn1cnc(-c2nn[nH]n2)c1C#N 1590604277 DZCWXQWBIHPPFC-UHFFFAOYSA-N 317.313 -0.439 30 20 DBED O=C(CCN/C(O)=C1/N=CC=CC1=O)N[C@@]1(C(=O)O)CCOC1 1594688598 SLQOZNAWDYOULB-NYHXXUGCSA-N 323.305 -0.737 30 20 DBED C#CCN(CC(=O)O)c1nnc([C@@H]2CC=NO2)n1CCOC 1602700717 FVUZVWIQTXNFDN-JTQLQIEISA-N 307.310 -0.104 30 20 DBED C[C@@H](Nc1cnc(-c2nn[nH]n2)c(C#N)n1)C(=O)NCCF 1603686467 JMRWSJQMLGSYJW-ZCFIWIBFSA-N 305.277 -0.586 30 20 DBED N#Cc1nc(N[C@H](CO)C[C@@H]2CCCO2)cnc1-c1nn[nH]n1 1606393206 ROHYCEIGPHUUGN-IUCAKERBSA-N 316.325 -0.130 30 20 DBED CN(CCC#N)S(=O)(=O)N[C@@H]1CCN(c2cnn(C)c2)C1 1645567850 QWDOIROWOYKGEE-LLVKDONJSA-N 312.399 -0.321 30 20 DBED Cn1c(N2CCN(CCC#N)CC2)nnc1[C@]1(C)CNC(=O)C1 1646690082 PHMRSNCSBNNKQP-HNNXBMFYSA-N 317.397 -0.372 30 20 DBED C#CCNC(=O)CNC[C@H]1CCCN1C(=O)c1n[nH]cc1C 1699748855 PAXCIINFBOHBDV-GFCCVEGCSA-N 303.366 -0.338 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@H](NCC(=O)NCC#N)C2)nc1 1713934175 PDHZZOGULVYGDN-ZDUSSCGKSA-N 311.345 -0.493 30 20 DBED C=CCCNC[C@H]1CCCN1C(=O)Cn1ccc(=O)n(C)c1=O 1715209781 ZDXCUVRUAOMPNM-CYBMUJFWSA-N 320.393 -0.296 30 20 DBED C#CCCNC[C@@H]1CCN(C(=O)CN2CCCS2(=O)=O)C1 1752937212 AFEUHLPMWGEHKA-ZDUSSCGKSA-N 313.423 -0.517 30 20 DBED C=CCNC(=O)NC(=O)CN1CCC[C@H]1CNC(=O)[C@H](C)C#N 1753097265 MSROQHDBWWEHNC-NEPJUHHUSA-N 321.381 -0.262 30 20 DBED C#CCCCC(=O)NCCN(Cc1nc(=O)n(C)[nH]1)C1CC1 1753153586 YSBJWWBXSVSLOL-UHFFFAOYSA-N 305.382 -0.008 30 20 DBED C#CCNC(=O)CNCCN(C)C(=O)c1cnn(C)c1C1CC1 1753268763 WOGOKMVFZHUVKB-UHFFFAOYSA-N 317.393 -0.292 30 20 DBED C=CCNC(=O)CN1CC(NC(=O)c2conc2COC)C1 1753391235 LMEIXQUDFLDKKG-UHFFFAOYSA-N 308.338 -0.463 30 20 DBED C#CCNC(=O)CNC[C@H](C)CNC(=O)[C@@H]1CCCOCC1 1753610860 LENAEIGTPCDZCF-UONOGXRCSA-N 309.410 -0.106 30 20 DBED C=CCNC(=O)[C@@H](C)NCCN(CC)C(=O)[C@H]1CCCNC1=O 1754050725 JIFDCCLZABMQMN-OLZOCXBDSA-N 324.425 -0.359 30 20 DBED Cn1[nH]c(CNC/C=C\CNC(=O)c2c[nH]c(C#N)c2)nc1=O 1754114046 UOPHELHXRRMXQH-IHWYPQMZSA-N 315.337 -0.616 30 20 DBED C=CCNC(=O)CNC[C@@H]1CCCN1C(=O)C[C@H]1COC(=O)C1 1754608265 TWKZFYNLXQZGDA-OLZOCXBDSA-N 323.393 -0.178 30 20 DBED C#CCN(C(=O)CN1C(=O)CNC1=O)C1CCN(CC=C)CC1 1754643383 WQOWGJOFHKCVKX-UHFFFAOYSA-N 318.377 -0.350 30 20 DBED CC#CCN[C@H](C)[C@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 1754799115 AHKDZUQQGQLIOU-OLZOCXBDSA-N 305.382 -0.568 30 20 DBED C=CCNC(=O)CNC[C@@H]1CN(C(=O)c2cnn[nH]2)C[C@@H]1C 1754820185 WITUVPCGTBRIAH-WDEREUQCSA-N 306.370 -0.595 30 20 DBED C#CCN1CCC[C@](CO)(NC(=O)COCc2nccn2C)C1 1754855584 SIWRVCFVMLBHAM-INIZCTEOSA-N 320.393 -0.487 30 20 DBED COCC#CCNCC[C@@H]1CCN(C(=O)[C@H]2CCN(C)C2=O)C1 1754928710 WSMWUNHZQTVSKD-CABCVRRESA-N 321.421 -0.057 30 20 DBED C=CCN1CCOC[C@@H]1CNC(=O)CNC(=O)N1CCCC1 1754967756 OTYAEIXZIAOFRG-ZDUSSCGKSA-N 310.398 -0.205 30 20 DBED C=C(C)CCNC[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)CCO1 1755005820 UGTRCVSEIHJXSZ-CYBMUJFWSA-N 323.397 -0.635 30 20 DBED C=C(Cl)CN1CC2(CC[C@H](CNC(=O)CC(N)=O)O2)C1 1755053122 OGDJAZWAJHKCHU-SNVBAGLBSA-N 301.774 -0.036 30 20 DBED C#CCNC(=O)CN(C)[C@H](C)CNC(=O)c1snnc1C 1755290879 NQQGCDXXTFQBAQ-SECBINFHSA-N 309.395 -0.354 30 20 DBED C#CCNC(=O)CN(C)[C@H](C)CNC(=O)[C@@]1(C)CCNC(=O)C1 1755305084 JGTMULXICYOYIP-WBMJQRKESA-N 322.409 -0.911 30 20 DBED CC(=O)NC(C)(C)C(=O)N1CC[C@@]2(CN(CC#N)CCO2)C1 1755400754 AKOZSKBUZZAQOQ-OAHLLOKOSA-N 308.382 -0.272 30 20 DBED COCC#CCNC[C@@H](C1CC1)N(C)C(=O)CCn1cnnn1 1755569727 YVBOMPHWBZYTPV-AWEZNQCLSA-N 320.397 -0.460 30 20 DBED CN(C[C@@H](O)CNCC#N)C(=O)C[C@@H]1NC(=O)c2ccccc21 1755792130 QVAPCZTVJDDAHS-FZMZJTMJSA-N 316.361 -0.206 30 20 DBED C#CCNC(=O)CNC1CC(N(C)C(=O)[C@@H]2CCCN2C)C1 1755854161 SHWVYWORWJBILY-RUXDESIVSA-N 306.410 -0.591 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](CO)NC(=O)CCCF 1756549585 BGDAFASAEXLXFA-UTUOFQBUSA-N 302.346 -0.080 30 20 DBED CN(C[C@@H](O)CNC(=O)C#CC1CC1)C(=O)Cc1ccn(C)n1 1756663278 ODMRLKUHQXQTHQ-AWEZNQCLSA-N 318.377 -0.689 30 20 DBED C=CCCCC(=O)N[C@@H]1CN(C(=O)c2cn(CC)nn2)C[C@H]1O 1757029084 WSWXRLPPQWWAGI-DGCLKSJQSA-N 321.381 -0.044 30 20 DBED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3c[nH]nc3C)C2)C1 1780283984 ZWZOEJKAQWVIEV-HNNXBMFYSA-N 302.334 -0.205 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1csnn1)CCO2 1783046884 RKEFWSAAEGOTNV-CYBMUJFWSA-N 306.347 -0.385 30 20 DBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(F)F)CCO2 1835463499 OQBYAPYYJWUXIH-AWEZNQCLSA-N 316.304 -0.269 30 20 DBED C[C@@H](NC=O)C(=O)N1CC2(CCCN2C(=O)C2(C#N)CC2)C1 1842808401 CMSZBUGXFCGDHG-LLVKDONJSA-N 304.350 -0.372 30 20 DBED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)CCC(N)=O)C1 1845992945 SPCLJVRNGOOXGS-GFCCVEGCSA-N 321.377 -0.506 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N2CCC(C(=O)O)CC2)CCO1 93932485 VARWNCGYJRTYRU-SNVBAGLBSA-N 303.340 -0.748 30 20 DBED C[C@H](C(=O)N1CC(C)(C#N)C1)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 281751024 JVGGBVGEBOWIAA-JCIQBVFBSA-N 317.345 -0.091 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC[C@@H]2CCCO2)C1=O 283343007 SSHCWALQESMGSU-NWDGAFQWSA-N 309.366 -0.473 30 20 DBED CNS(=O)(=O)CCNC(=O)c1cc(C#N)cc(N(C)C)c1 294836936 HPELJCLAHDUEGY-UHFFFAOYSA-N 310.379 -0.097 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N(C)CC)c1=O 298388886 GGDBQGYTXWSNSQ-UHFFFAOYSA-N 308.338 -0.978 30 20 DBED C[C@]1(N/C(O)=N/C[C@@H]2CCN(S(C)(=O)=O)C2)CCOC1 328881725 WQXLAJFMAYXKRN-JQWIXIFHSA-N 305.400 -0.050 30 20 DBED C=CCNC(=O)NC(=O)CN1CCC2(CC1)NC(=O)N(C)C2=O 331559371 GKJVNYKOCUFJET-UHFFFAOYSA-N 323.353 -0.986 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@@H]1CN2CCN1CC2 336898890 PHGUGBRKDSWEMF-QWHCGFSZSA-N 315.443 -0.698 30 20 DBED COC(=O)[C@@H]1CN(C(=O)[C@H](C)n2cnc(C#N)n2)C[C@@H](C)O1 338198841 VAADVWWHDZOPPA-UTLUCORTSA-N 307.310 -0.500 30 20 DBED CC#CCN(C)S(=O)(=O)c1cccc(S(N)(=O)=O)c1 339129622 WHMPHJGNRHEGPW-UHFFFAOYSA-N 302.377 -0.022 30 20 DBED COCCCOc1ccc(C(=O)NCC(=O)NCC#N)cn1 344181819 SLMWEIKJPAGNNG-UHFFFAOYSA-N 306.322 -0.134 30 20 DBED COC(=O)[C@H](O)C1CCN(CC(=O)NC2(C#N)CCC2)CC1 346995238 WVLKOIQMZDCBJZ-CYBMUJFWSA-N 309.366 -0.205 30 20 DBED N#CCNC(=O)CNC(=O)Nc1nnc(CC(F)(F)F)s1 350193430 RBJLBCMABHNIQU-UHFFFAOYSA-N 322.272 0.404 30 20 DBED N#CCNC(=O)CNC(=O)N[C@H]1CC(=O)N(C2CCCCC2)C1 358268419 BSPFYCQEVMYEDV-NSHDSACASA-N 321.381 -0.141 30 20 DBED C=CCCOCCNC(=O)N1CC[C@@H](S(=O)(=O)NC)C1 362725179 NIKWAYQGDPKLCS-LLVKDONJSA-N 305.400 -0.088 30 20 DBED C=CCNC(=O)CNC(=O)N[C@@H]1CCN(C2CCN(C)CC2)C1 371480787 QWDWIVPKGPHCRJ-CYBMUJFWSA-N 323.441 -0.244 30 20 DBED COC(=O)[C@H]1CCC[C@@H]1S(=O)(=O)N1CCN(CC#N)CC1 408374159 JDQVQOBBGGXNSK-RYUDHWBXSA-N 315.395 -0.201 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N1C[C@@H](CO)OC(C)(C)C1 420747169 JXRKWBBDABYVIN-MNOVXSKESA-N 305.400 -0.063 30 20 DBED CN(CCN)C(=O)C(=O)N1CCN(c2ccccc2C#N)CC1 423062481 UCCFNWITUBDFQB-UHFFFAOYSA-N 315.377 -0.376 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)c2ccc(C(N)=O)o2)CC1 437949816 DRZHMRKWGUDDON-UHFFFAOYSA-N 320.349 -0.562 30 20 DBED C#CCN(CC#N)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 490984477 GKRRULNGPXOBLH-UHFFFAOYSA-N 316.342 -0.290 30 20 DBED N#CCc1ccc(CS(=O)(=O)NCCC(=O)NC(N)=O)cc1 563061298 DHSIUUWZVFICSG-UHFFFAOYSA-N 324.362 -0.243 30 20 DBED COCCN(CCN(C)C)C(=O)C(=O)Nc1cccc(C#N)n1 570840698 AKAYROQKCOFXBZ-UHFFFAOYSA-N 319.365 -0.072 30 20 DBED COc1ncccc1NC(=O)C(=O)N1CC[C@@](O)(CC#N)C1 592304376 KOFLOVJPPHICGX-AWEZNQCLSA-N 304.306 -0.094 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N[C@H](CO)[C@H]1CCCOC1 594783398 GJCTZUQXYDJMPW-GRYCIOLGSA-N 305.400 -0.300 30 20 DBED CN1CCN(C[C@H](O)COc2ccc(C#N)cc2)[C@@H](CO)C1 602904063 LBEVLJDAEDXRLG-CABCVRRESA-N 305.378 -0.094 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N1CC2(C1)CS(=O)(=O)C2 603369559 LFZZCNJRTNZXHO-SNVBAGLBSA-N 321.424 -0.557 30 20 DBED C=C[C@](C)(O)C(=O)NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 612182397 WCTDCGARGDDLDM-ZKVGZHBLSA-N 304.346 -0.153 30 20 DBED CCN(CC(=O)c1c(O)nc(=O)n(CCOC)c1N)[C@@H](C)C#N 661983718 LBZOMPSNLWEIOP-VIFPVBQESA-N 323.353 -0.406 30 20 DBED C#C[C@@H](NC(=O)NCCNS(=O)(=O)CC)[C@H]1CCCO1 773274968 YZAWLOWHNKMASD-GHMZBOCLSA-N 303.384 -0.594 30 20 DBED C#C[C@H](NC(=O)c1cc(S(N)(=O)=O)cn1C)[C@H]1CCCO1 776268999 HEAFGCRJSBYHHX-CMPLNLGQSA-N 311.363 -0.417 30 20 DBED C=CCS(=O)(=O)CCNC(=O)NCCCn1cncn1 783000973 XLZCCGYLLWIQHW-UHFFFAOYSA-N 301.372 -0.432 30 20 DBED C#CCOCCNC(=O)c1ccc(F)c(S(N)(=O)=O)c1 784768982 SDKHFFZIKKJDET-UHFFFAOYSA-N 300.311 -0.147 30 20 DBED C#CCCS(=O)(=O)NC(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 791111639 VZICDIWVENJKQK-BXKDBHETSA-N 316.404 -0.090 30 20 DBED C#CCC[C@H](O)CNC(=O)N[C@H](CC)C(=O)N1CCOCC1 798433606 PRCIZOTUQYIBJA-QWHCGFSZSA-N 311.382 -0.303 30 20 DBED C#C[C@@H](NC(=O)C(=O)N1CCCN(CC)CC1)[C@H]1CCCO1 809306366 PSCPYBCKPZTLCO-ZIAGYGMSSA-N 307.394 -0.162 30 20 DBED CCCCCNC(=O)[C@H](C#N)C(=O)CCn1ncn(C)c1=O 815904975 VHRXWTJWDGUFKT-LLVKDONJSA-N 307.354 -0.013 30 20 DBED N#C[C@@H]1CNC[C@H]1NC(=O)CCN1C(=O)NC2(CCCC2)C1=O 834511799 OFBWWSOIZPIVOZ-GHMZBOCLSA-N 319.365 -0.531 30 20 DBED CC(C)[C@H](N)CNC(=O)C(=O)NCCNc1ccc(C#N)cn1 842249291 BCIZIKVJSDTXQV-GFCCVEGCSA-N 318.381 -0.419 30 20 DBED N#C[C@@H]1CNC[C@H]1NC(=O)Cn1cnc2sccc2c1=O 843463684 XOTXTQLBVCJCRC-PSASIEDQSA-N 303.347 -0.314 30 20 DBED CN(CCC#N)S(=O)(=O)N1CC[C@H](N2CCOC2=O)C1 849435822 LAPMRSILZCAVCY-JTQLQIEISA-N 302.356 -0.397 30 20 DBED CCOC(=O)CNC(=O)[C@H]1COCCN1C(=O)C#CC(C)(C)C 854383134 WYYGUJDXJJCCSM-GFCCVEGCSA-N 324.377 -0.057 30 20 DBED C#C[C@@H](NC(=O)NCCCN1CCC[C@H]1C(N)=O)[C@@H]1CCCO1 875507273 WVDJHYAYEBBXJN-RDBSUJKOSA-N 322.409 -0.194 30 20 DBED C=CCCC(=O)[C@H]1CCCN1C(=O)CNS(=O)(=O)N(C)C 908660453 UIWMJIJKCKVXLB-LLVKDONJSA-N 317.411 -0.091 30 20 DBED CC(C)(C)NC(=O)CNC(=O)COC(=O)CSCC#N 919081918 ZUNLOWICZGIBBG-UHFFFAOYSA-N 301.368 -0.183 30 20 DBED C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)c3nnn(C)n3)C2)C1 938695250 OLPMAIIIGCWFAD-JTQLQIEISA-N 304.354 -0.103 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CN2CCN(C)C(=O)C2)[C@@H](C)C1 942201449 WARLPMISHRUNHU-LSDHHAIUSA-N 320.437 -0.390 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2nc(O)nc(O)c2OC)[C@@H](C)C1 944135267 JMVCBMDOBJVQLC-VHSXEESVSA-N 320.349 -0.030 30 20 DBED C=C(Cl)CN1CCN(C(=O)CN2CCCS2(=O)=O)CC1 948642044 YIZAXONQTZBDAV-UHFFFAOYSA-N 321.830 -0.081 30 20 DBED O=C(NC[C@@H]1CCN1C(=O)C#CC1CC1)[C@@H]1CCS(=O)(=O)C1 951042183 DMAJMLQPZUSMAS-OLZOCXBDSA-N 324.402 -0.448 30 20 DBED C=CCCN1CCN(C(=O)[C@H]2CCN(C)S2(=O)=O)CC1 951699957 RQYRCISABDVTKN-GFCCVEGCSA-N 301.412 -0.259 30 20 DBED O=C1NCC[C@@H]1C(=O)NC[C@@H]1CCCN1C(=O)C#CC1CC1 956002926 QVTWPGVAZDRDNU-STQMWFEESA-N 303.362 -0.357 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2c(O)nnc(C)c2C)C1 958313910 XFNKTIRSAFAFTG-NEPJUHHUSA-N 304.350 -0.545 30 20 DBED Cc1nccn1CC(=O)N(C)[C@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1O 958851300 LMOCZNUOKPGULT-DRZSPHRISA-N 319.365 -0.619 30 20 DBED N#CCN1CCN(S(=O)(=O)C2CN(C(=O)C3CC3)C2)CC1 961078253 ZPOYSVRCMJJLEJ-UHFFFAOYSA-N 312.395 -0.922 30 20 DBED C=C(C)CCN1C[C@@H]2C(NC(=O)CN3C(=O)CN(C)C3=O)[C@H]2C1 962484044 NFOLSQCSFBFJTH-RYUDHWBXSA-N 320.393 -0.107 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(CC1)C[C@@H]2NC(=O)c1nnn(C)n1 964671905 NGUDNHQJNFQIHE-UWVGGRQHSA-N 317.353 -0.519 30 20 DBED COCC(=O)N1CC2(C[C@H](NC(=O)c3c[nH]c(C#N)c3)CO2)C1 965680317 KSKAUGKGHCQESV-LBPRGKRZSA-N 318.333 -0.368 30 20 DBED C[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1NC(=O)c1ncn(C)n1 966396369 FTELHXJAZRTJRW-JQWIXIFHSA-N 301.350 -0.195 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CCOCC1 968865454 BEEJGYHBTOGMCZ-MELADBBJSA-N 320.393 -0.320 30 20 DBED C#CCCN1CCO[C@@]2(CCN(C(=O)[C@@H]3CCNC3=O)C2)C1 972494976 VUGZFPUIXYAVMT-CJNGLKHVSA-N 305.378 -0.551 30 20 DBED CN(CC#N)[C@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)C1 972720867 NLGHLMUKULSMJH-VIFPVBQESA-N 301.310 -0.913 30 20 DBED C#CCCN1C[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C(C)(C)C1 974600307 PHNGHTHKLFWZOH-NSHDSACASA-N 318.381 -0.773 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@@H]3CN(C(=O)C(N)=O)C[C@@H]3C2)c1 986582515 CHVKVSWWTIRQJM-MNOVXSKESA-N 315.333 -0.708 30 20 DBED N#Cc1c[nH]c(C(=O)NC2CN(C(=O)C[C@@H]3CCNC3=O)C2)c1 990707890 DYRWKINQIPLPHZ-JTQLQIEISA-N 315.333 -0.647 30 20 DBED N#Cc1c[nH]c(C(=O)NC2CC(CNC(=O)c3cnn[nH]3)C2)c1 992223122 YZVQJJRUGIFXNG-UHFFFAOYSA-N 313.321 -0.057 30 20 DBED C[C@@H]1[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)CCCN1CC#N 994368021 VEMCSMZVQWAYOL-MNOVXSKESA-N 307.354 -0.627 30 20 DBED NC(=O)C(=O)N[C@@H]1CC[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2C1 1009879059 CTVINZAREUTGFK-JHJVBQTASA-N 303.362 -0.372 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C(=O)c2cncc(C(N)=O)c2)CC1 1011169519 GELAAHVRJTXNFZ-SNVBAGLBSA-N 315.333 -0.375 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C(=O)CCN2C(=O)CCC2=O)CC1 1011491920 WAMVCLQTCUDWFF-NSHDSACASA-N 320.349 -0.644 30 20 DBED N#Cc1c[nH]c(C(=O)NC2[C@@H]3CN(C(=O)Cn4ccnc4)C[C@@H]23)c1 1012922469 ISXWSCWCKBXVAP-VXGBXAGGSA-N 324.344 -0.030 30 20 DBED C[C@@H](C#N)C(=O)N1CC=C(CNC(=O)[C@H]2CN(C)C(=O)N2)CC1 1017623620 WTJZSHVGDBJVMV-CMPLNLGQSA-N 319.365 -0.555 30 20 DBED C#CCN(C)[C@H]1CCCN(C(=O)CN2C(=O)NC(=O)C2(C)C)C1 1027642046 RMELSIKUJJUVHH-LBPRGKRZSA-N 320.393 -0.127 30 20 DBED N#CCN1CCO[C@H](CNC(=O)[C@@H]2CCc3nn[nH]c3C2)C1 1035574845 UMLZOVNFHSUVFK-GHMZBOCLSA-N 304.354 -0.750 30 20 DBED N#Cc1ccc(CN2CC[C@@H]2CNC(=O)[C@@H]2CNC(=O)N2)s1 1038654086 GVJBPEKCCIBQCY-SKDRFNHKSA-N 319.390 -0.008 30 20 DBED C[C@H]1[C@@H](Nc2cnc(C#N)cn2)CCN1C(=O)Cn1ncnn1 1040187165 UCQLBWCXZNAZML-ONGXEEELSA-N 313.325 -0.564 30 20 DBED C=CCCCC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2CCNC2=O)C1 1040486710 VYPLXKXTIBWOBL-MLGOLLRUSA-N 323.393 -0.442 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(c3ncccn3)C[C@H]2O)cn1 1041112270 SVIQWSGIJCHFPK-ZIAGYGMSSA-N 309.329 -0.168 30 20 DBED N#Cc1cncc(N2C[C@@H](O)[C@H](NC(=O)c3ccns3)C2)n1 1041192798 DTILKDZLWWLMII-NXEZZACHSA-N 316.346 -0.216 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC(O)(CNC(=O)c3cn[nH]c3)C2)c1 1041656647 BEUXKWAPFXFWJR-UHFFFAOYSA-N 314.305 -0.774 30 20 DBED C#CCN1CC[C@]2(CCN(C(=O)CN3C(=O)CNC3=O)C2)C1 1041819333 FSBZQYYBKQBRKG-HNNXBMFYSA-N 304.350 -0.904 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)[C@@H](C)CCOC)C1 1042052934 WURGKFZSJXFWPC-LBPRGKRZSA-N 314.382 -0.449 30 20 DBED Cn1c(O)ncc(C(=O)N2CC[C@@H]3CCN(CC#N)[C@H]3C2)c1=O 1042183724 QUPPHDFDKXVYKC-JQWIXIFHSA-N 317.349 -0.454 30 20 DBED CO[C@@H](C)CC(=O)N1CC(O)(CNC(=O)c2cc(C#N)c[nH]2)C1 1042401497 NOQCMAVKQDLOOB-JTQLQIEISA-N 320.349 -0.386 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)CNC(=O)CC)C1 1042801965 AIKLGQIEFXNBHI-UHFFFAOYSA-N 309.366 -0.994 30 20 DBED Cc1cc(C(=O)N2CC(O)(CNC(=O)C#CC(C)C)C2)nn1C 1042936958 VNPCFKIQFASQAC-UHFFFAOYSA-N 318.377 -0.309 30 20 DBED C=CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)Cc2ccc[nH]2)C1 1043292650 HVDPTSRAKAKBNJ-GFCCVEGCSA-N 321.377 -0.162 30 20 DBED C=C(C)CCC(=O)NCC1(O)CN(C(=O)c2cnn(C)c2N)C1 1043311191 QEVFFILWFCHIRA-UHFFFAOYSA-N 321.381 -0.338 30 20 DBED C=C[C@](C)(CC)C(=O)N1CC(O)(CNC(=O)[C@@H]2CCC(=O)N2)C1 1044265281 CDMSDJLTIHZZBR-XHDPSFHLSA-N 323.393 -0.443 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)c2n[nH]c3c2CCC3)C1 1045564679 LIOMAAASMARXIG-SECBINFHSA-N 317.349 -0.639 30 20 DBED Cn1nccc1CC(=O)N1CCN([C@@H]2CCN(CC#N)C2)CC1 1046022350 PLMZVQGGCQTHMA-OAHLLOKOSA-N 316.409 -0.295 30 20 DBED CC#CCN1CC[C@@H](N2CCN(C(=O)C3(C(N)=O)CC3)CC2)C1 1046059079 YKMUFHSFAHQMDO-CQSZACIVSA-N 318.421 -0.506 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC(=O)N(C(C)C)C2)C1 1047402186 LSYCRFGMVHAVMF-KKUMJFAQSA-N 321.421 -0.230 30 20 DBED CN1CCCC[C@H](C(=O)N(C)[C@H]2CN(CC#N)C[C@@H]2O)C1=O 1047593312 FJDGWHXXBIQBCI-AVGNSLFASA-N 308.382 -0.728 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC(=O)NC2)C1 1049058141 JGAIZIMOCAYYFP-AGIUHOORSA-N 323.393 -0.491 30 20 DBED Cc1nocc1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)C#N)C1 1049393837 FYLNPFBKLQCLDC-UWJYBYFXSA-N 306.322 -0.214 30 20 DBED C[C@@H]1[C@@H](NC(=O)c2cn(C)nn2)CCN1c1ccnc(C#N)n1 1050239503 ANMYOWJPMITUDN-ZJUUUORDSA-N 312.337 -0.126 30 20 DBED N#CCN1CCC2(CC1)CN(C(=O)[C@@H]1CCCN1C(N)=O)C2 1050772811 UYDCYAYVWVJUDV-LBPRGKRZSA-N 305.382 -0.023 30 20 DBED C#CCCCC(=O)N[C@@H](C)[C@H]1CCN(C(=O)Cn2ncnn2)C1 1050809933 WDGCVTZDYISEPO-STQMWFEESA-N 318.381 -0.170 30 20 DBED C[C@@H]1[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)CCN1c1nccnc1C#N 1051010933 AFSHJWJHXZJOEM-ZNSHCXBVSA-N 314.349 -0.447 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)c1cnc2c(c1)nnn2C 1051024637 DNHTYNLCFSHKHL-GFCCVEGCSA-N 314.349 -0.573 30 20 DBED CC(C)N1CCO[C@@H](C(=O)NC[C@@H]2COCCN2CC#N)C1 1051081157 HRFHPWIVLIYHOD-ZIAGYGMSSA-N 310.398 -0.564 30 20 DBED C#CCCN1CCN([C@H]2CCN(C(=O)[C@H]3CCC(=O)N3)C2)CC1 1051997909 KNKGZFGGXHGPAL-LSDHHAIUSA-N 318.421 -0.493 30 20 DBED C=CCN1CC2(C1)CN(C(=O)c1cc(=O)n(C)cn1)CCO2 1053291410 NQEKLPUGDSRYSF-UHFFFAOYSA-N 304.350 -0.507 30 20 DBED CO[C@@H](C(=O)N1CCOC2(CN(CC#N)C2)C1)[C@H]1CCOC1 1053358349 OSHHRELWBQRAJN-QWHCGFSZSA-N 309.366 -0.525 30 20 DBED C=CCCN1CC2(C1)CN(C(=O)C1CC(=O)NC(=O)C1)CCO2 1053470268 ITONSJOJYVQKRB-UHFFFAOYSA-N 321.377 -0.472 30 20 DBED N#CCN1CC2(C1)CN(C(=O)c1cc3ncccn3n1)CCO2 1053479080 RCXZFGAPBYXFRQ-UHFFFAOYSA-N 312.333 -0.220 30 20 DBED COc1ncc(C(=O)N2CCOC3(CN(CC#N)C3)C2)cn1 1053495537 RVSPFWWPOCRMSF-UHFFFAOYSA-N 303.322 -0.464 30 20 DBED Cc1nc[nH]c1C(=O)N[C@]1(CO)CCCN(C(=O)[C@@H](C)C#N)C1 1056007737 IUBSRNMBSGJVMU-ZUZCIYMTSA-N 319.365 -0.039 30 20 DBED N#Cc1ccc(N2C[C@H]3C(NC(=O)C4=COCCO4)[C@@H]3C2)nn1 1056099359 DZEQGFNKSLATIR-GHMZBOCLSA-N 313.317 -0.213 30 20 DBED Cn1nccc1C(=O)NC1[C@@H]2CN(c3ccnc(C#N)n3)C[C@@H]12 1056138765 LEZLJKGDSFUEBO-NXEZZACHSA-N 309.333 -0.054 30 20 DBED N#Cc1ccc(N2C[C@H]3C(NC(=O)Cn4cccn4)[C@@H]3C2)nn1 1056140658 KABBBGOZPCWEDQ-VXGBXAGGSA-N 309.333 -0.204 30 20 DBED Cn1nccc1CC(=O)N[C@H]1[C@@H]2CN(c3ccc(C#N)nn3)C[C@@H]21 1056174762 XLVBZIZBGXTYKX-VIKVFOODSA-N 323.360 -0.125 30 20 DBED Cn1nncc1C(=O)N[C@H]1[C@@H]2CN(c3ccc(C#N)nn3)C[C@@H]21 1056195489 UUWRNLKIELQXHM-IWIIMEHWSA-N 310.321 -0.659 30 20 DBED Cn1nccc1CC(=O)N1CC[C@@H](N=c2cc[nH]c(C#N)n2)C1 1056618860 MYDPOWTVASWWIA-LLVKDONJSA-N 311.349 -0.241 30 20 DBED C#CCO[C@H](C)C(=O)NCCN(CCO)C(=O)c1cc(C)on1 1056909443 QKZBSDIDUFLTIB-GFCCVEGCSA-N 323.349 -0.428 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)CCNC(=O)NC 1057171190 RIQZRZDLEDGGEA-UHFFFAOYSA-N 314.386 -0.791 30 20 DBED C=C[C@](C)(O)CC(=O)N(CCO)CCNC(=O)c1cc(C)[nH]n1 1057450172 MQCFRTNRIPYNEE-HNNXBMFYSA-N 324.381 -0.404 30 20 DBED Cn1cc(C(=O)N[C@H]2CCCN(c3cncc(C#N)n3)C2)nn1 1058156016 VZIOJVDJFSLNJS-JTQLQIEISA-N 312.337 -0.124 30 20 DBED N#Cc1ccc(N2CC[C@@H](NC(=O)[C@H]3COC(=O)N3)C2)nc1 1058350433 KWPBCDLYUWERRZ-GHMZBOCLSA-N 301.306 -0.243 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)Cc1cnn(C)c1 1058652833 GIROHDPCHFMESX-LLVKDONJSA-N 307.354 -0.941 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)c1cnn2cc[nH]c12 1058655286 VMLUKJROPWBQES-SNVBAGLBSA-N 318.337 -0.627 30 20 DBED C=C[C@@H](CC)CC(=O)NCCN(CCO)C(=O)Cc1nc[nH]n1 1058891792 QMJRGITYLSUFIB-LBPRGKRZSA-N 323.397 -0.113 30 20 DBED C[C@@H]1OCCO[C@@H]1C(=O)N[C@H]1C[C@H](N=c2cc[nH]c(C#N)n2)C1 1059455762 BSWFEMLXBIHVOX-RMIALFOJSA-N 317.349 -0.367 30 20 DBED C=CCOCC(=O)NCC[C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 1060258518 IGWIEMNPFIRTFD-VXGBXAGGSA-N 324.381 -0.775 30 20 DBED C=CCOCC(=O)N1CCOC[C@H]1CNC(=O)[C@@H]1CCOC1 1061387058 XXNRZSQVNQBDPU-CHWSQXEVSA-N 312.366 -0.431 30 20 DBED C=C(C)C[C@H](C)C(=O)N1CCOC[C@@H]1CNC(=O)CC(N)=O 1061443144 LKVJSKQNMNSNQT-RYUDHWBXSA-N 311.382 -0.192 30 20 DBED CC(C)(C(N)=O)C(=O)NC[C@@H]1COCCN1C(=O)C#CC1CC1 1061658054 TVNQNDMBASSTNO-GFCCVEGCSA-N 321.377 -0.745 30 20 DBED CN(C(=O)Cn1nccn1)[C@H]1CCN(c2ccnc(C#N)n2)C1 1062984131 QLFACTQSJSEVBU-NSHDSACASA-N 312.337 -0.323 30 20 DBED N#Cc1cnccc1N1C[C@H]2C[C@H]1[C@@H]2NC(=O)Cn1cncn1 1064257261 VJXFHJAHBOYRCS-RIEGTJTDSA-N 309.333 -0.062 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)[C@H]2CC(=O)N(C)C2)CCC1 1064310881 SDYWYZKXFUUEKO-QWRGUYRKSA-N 306.366 -0.221 30 20 DBED C=CCCC(=O)N1CCO[C@@H](CNC(=O)CNC(=O)NC)C1 1064957084 AXUVOYRCURYNTF-NSHDSACASA-N 312.370 -0.775 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2cncnc2)CCO1 1065073450 MBIJVQZIWSYBBQ-CYBMUJFWSA-N 320.349 -0.364 30 20 DBED Cc1nc(O)[nH]c1C(=O)N1CCO[C@H](CNC(=O)[C@H](C)C#N)C1 1065265767 NVRYPZVLDFVVFL-PSASIEDQSA-N 321.337 -0.459 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CN(C(=O)Cc2ncc[nH]2)CCO1 1065521198 LCPYRZZFEPMQBZ-GHMZBOCLSA-N 305.338 -0.545 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@H](CNC(=O)COCC2CC2)C1 1065557267 OOQQXOWAUREJLG-WCQYABFASA-N 309.366 -0.084 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@H](CNC(=O)CCc2cnc[nH]2)C1 1065559212 AMASSMWAJRPBLG-DGCLKSJQSA-N 319.365 -0.154 30 20 DBED CN(C(=O)[C@H]1C[C@H]1C(N)=O)C1CC(Nc2nccnc2C#N)C1 1069794424 VQRBHKMCBGFJCR-LXKPXOPUSA-N 314.349 -0.129 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2nnn(C)c2C)C1 1069905909 WJEIHWCCOQTPNY-NEPJUHHUSA-N 314.353 -0.996 30 20 DBED N#CCN[C@@H]1CN(C(=O)CC2CCOCC2)C[C@@H]1n1ccnn1 1070163238 SAOWXOVFMWRGOW-KGLIPLIRSA-N 318.381 -0.040 30 20 DBED Cn1cnc([C@@H]2CN(C(=O)c3cnn(C)c3)C[C@H]2NCC#N)c1 1070466129 VXTYJAQJUBZCGY-GXTWGEPZSA-N 313.365 -0.125 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CCCN(C(=O)[C@H]2CCC(=O)N2)C1 1070551260 JBBZCIAAJWTZHI-JHJVBQTASA-N 323.393 -0.037 30 20 DBED C=CCOCC(=O)N1C[C@@H](C)[C@@H](NC(=O)c2cnnc(O)c2)C1 1071810585 BLUZHKYZNAEZGG-PWSUYJOCSA-N 320.349 -0.039 30 20 DBED C[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1NC(=O)CSCC#N 1072522273 RNILDZDEVJWCRU-BDAKNGLRSA-N 308.367 -0.362 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(C(=O)Cn2cncn2)C[C@@H]1C 1073817248 LZHPEMVVXUCZIF-STQMWFEESA-N 321.381 -0.166 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)Cc3cncnc3)C[C@H]21 1074225131 BOWUNBSUEFXKNQ-CABCVRRESA-N 300.362 -0.046 30 20 DBED C=CCOCC(=O)N1CC[C@H](NC(=O)Cc2nc[nH]n2)[C@@H](C)C1 1074257681 NLHBVRCAETUDKU-RYUDHWBXSA-N 321.381 -0.097 30 20 DBED C[C@H]1[C@@H](NCC#N)CCN1C(=O)[C@@H]1CCc2nnnn2CC1 1074901497 MCAWFITZHUARNL-TUAOUCFPSA-N 303.370 -0.272 30 20 DBED C[C@@H](CCNC(=O)CSCC#N)NC(=O)c1c[nH]c(=O)cn1 1075676900 HNIBTTMJPBMVEF-VIFPVBQESA-N 323.378 -0.349 30 20 DBED C#CCOc1ccc(C(=O)N[C@@H]2CN(C[C@H](C)O)C[C@H]2O)cc1 1077795683 SDQWBTXFXXUYNY-APHBMKBZSA-N 318.373 -0.146 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)C2=COCCO2)C[C@H]1O 1081460787 LMSONIUZPMLKMI-CHWSQXEVSA-N 322.361 -0.531 30 20 DBED C=CCCC(=O)N1C[C@H](CNC(=O)C23CCN(CC2)C3)[C@@H](O)C1 1081618787 VPWMISMVVABXDB-KBPBESRZSA-N 321.421 -0.016 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CN(CCOC)C[C@H]2OC)nn1 1082213127 MSEBXIYHFZOTPV-DGCLKSJQSA-N 309.370 -0.461 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCc3ncncc3C2)C1 1083516921 CQGXRRDGUKQDHW-HONMWMINSA-N 301.350 -0.734 30 20 DBED C=CCN1CC[C@@H]2CN(C(=O)Cn3cnc(C(N)=O)n3)[C@@H]2C1 1084356414 HBVXZXVNWDHLKM-GHMZBOCLSA-N 304.354 -0.904 30 20 DBED N#CCN1C[C@@H](NC(=O)[C@H]2CNC(=O)N2)[C@H](c2ccccc2)C1 1086606974 HAHMZOMZSRQORK-BFHYXJOUSA-N 313.361 -0.224 30 20 DBED C#CCN1CC[C@H](NC(=O)CN2CC(=O)N(C)C2=O)[C@H]1CC 1087794339 GUQNXENTPYSQOZ-NWDGAFQWSA-N 306.366 -0.517 30 20 DBED CCN(c1cncc(C#N)n1)[C@H](C)CNC(=O)CNC(=O)NC 1089770098 MFGBJQBQSIZLLH-SNVBAGLBSA-N 319.369 -0.392 30 20 DBED C=CCN1C[C@H](NC(=O)c2nnn(C)n2)CC2(CCOCC2)C1 1089951482 LECCNFAAHDOLGH-GFCCVEGCSA-N 320.397 -0.003 30 20 DBED CCO[C@H](CC)C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1O 1090377856 NUNHRRAFUURQQB-IJLUTSLNSA-N 319.365 -0.171 30 20 DBED CCO[C@@H](C)C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1O 1090386396 WUIABYIEMABJQE-MVWJERBFSA-N 305.338 -0.561 30 20 DBED CN(C)CCn1cc(C(=O)N[C@@H]2CCN(CC#N)C[C@@H]2O)cn1 1090638979 UCDYNDNBQXUMTJ-KGLIPLIRSA-N 320.397 -0.867 30 20 DBED N#CCN1CC[C@H](NC(=O)c2noc3c2COCC3)[C@@H](O)C1 1090822680 DSPCMSLZNNQMJU-QWRGUYRKSA-N 306.322 -0.564 30 20 DBED N#CCSCC(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@@H]1O 1091075002 OAOCGAIEFJRUND-OLZOCXBDSA-N 317.374 -0.124 30 20 DBED C[C@@H]1[C@@H](NC(=O)CCNC(N)=O)CCN1c1cncc(C#N)n1 1091968765 FANZYKZQIAQPBG-KOLCDFICSA-N 317.353 -0.510 30 20 DBED COCCOCC(=O)NC1[C@H]2CN(c3ccnc(C#N)n3)C[C@H]12 1093252842 BRNHDWVUKHZBSB-QWRGUYRKSA-N 317.349 -0.438 30 20 DBED Cc1cc(=NCCNC(=O)[C@@H]2CCCN2C(N)=O)c(C#N)c[nH]1 1093707656 BPDCITXQDWNSIK-ZDUSSCGKSA-N 316.365 -0.245 30 20 DBED CNC(=O)NCCC(=O)NCCCNc1nc(C)cc(C#N)n1 1094392919 FNJDFFGPFPADTK-UHFFFAOYSA-N 319.369 -0.106 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)C[C@H]3CCNC3=O)CC2=O)C1 1094743753 KOWZISDYNFTKGV-NEPJUHHUSA-N 320.393 -0.900 30 20 DBED C#CCCN1CC(N2C[C@@H](NC(=O)c3csnn3)CC2=O)C1 1094766999 SPSLNAJPRAPTNU-JTQLQIEISA-N 319.390 -0.424 30 20 DBED CC#CCN1CC(N2C[C@H](NC(=O)[C@H]3CCN(C)C3)CC2=O)C1 1094815408 SBDKZMLPEWGGQB-UONOGXRCSA-N 318.421 -0.637 30 20 DBED COC(=O)NCC(=O)N1CC[C@@H](N(C)c2nccnc2C#N)C1 1095094024 VXRBOGFAOQTWMT-SNVBAGLBSA-N 318.337 -0.259 30 20 DBED CC(=O)N(C)CC(=O)NCCCN(C)c1cncc(C#N)n1 1095473019 AOHVMASEWNWQPC-UHFFFAOYSA-N 304.354 -0.231 30 20 DBED COCCC(=O)NCCN1CCN(c2ccnc(C#N)n2)CC1 1096259759 ILZZAHXAXSKYMY-UHFFFAOYSA-N 318.381 -0.377 30 20 DBED CS(=O)(=O)CC(=O)NC[C@@H](Nc1cncc(C#N)n1)C1CC1 1096610961 GGTVTRKYPRPDMA-LLVKDONJSA-N 323.378 -0.300 30 20 DBED CCNC(=O)CC(=O)N1CC[C@H](Nc2ccc(C#N)nn2)C1 1096937938 XTVOMDOJYYFUIU-NSHDSACASA-N 302.338 -0.113 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@H](Nc2ncnc3c2nnn3C)C1 1097003280 UNJKIPJMDFXCAN-CIUDSAMLSA-N 300.326 -0.023 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H](C)N1C(=O)CCC1=O 1097168615 RQOXXSDGRDYCTE-LPWJVIDDSA-N 303.362 -0.121 30 20 DBED C[C@@H](CC(N)=O)C(=O)N[C@H]1C[C@@H](Nc2cncc(C#N)n2)C1 1097240832 VCNCKPQVXVNHOL-LPEHRKFASA-N 302.338 -0.081 30 20 DBED N#Cc1ccc(N2CCC[C@H](CNC(=O)CC(N)=O)C2)nn1 1097289549 ORWGVWMZOBZROV-SNVBAGLBSA-N 302.338 -0.444 30 20 DBED C[C@@H](CNC(=O)[C@H]1CN(C)CCO1)N=c1cc[nH]c(C#N)n1 1097768965 WQBOKLWZTKBLGE-WDEREUQCSA-N 304.354 -0.983 30 20 DBED C[C@@H](CNC(=O)[C@]1(C)CCC(=O)N1)Nc1nccnc1C#N 1098238435 XPRXEQYBFPBXFF-XPTSAGLGSA-N 302.338 -0.066 30 20 DBED C[C@H](CNC(=O)c1cc(C(N)=O)co1)N=c1cc[nH]c(C#N)n1 1098262673 JSAFAXSOQDJWLJ-MRVPVSSYSA-N 314.305 -0.308 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)c2ccnn2C)[C@@H](O)C1 1099712032 JOQYSOKHBXTTKF-JSGCOSHPSA-N 308.382 -0.212 30 20 DBED CC(C)C#CC(=O)N[C@H]1CCN(CC(=O)NC(C)C)C[C@H]1O 1099821208 RCILPFYKJYPMAK-UONOGXRCSA-N 309.410 -0.278 30 20 DBED CCOCCn1cc(C(=O)N[C@@H]2CCN(CC#N)C[C@H]2O)cn1 1100051820 ZXZLUDDVAIVFES-ZIAGYGMSSA-N 321.381 -0.392 30 20 DBED N#CCN1CC[C@@H](NC(=O)COCc2ccncc2)[C@@H](O)C1 1100053969 SIKGZZWOBMIDSV-KGLIPLIRSA-N 304.350 -0.327 30 20 DBED CO[C@H](C(=O)NCCN(C)c1nccnc1C#N)[C@H]1CCOC1 1100250925 UKTIBBHVQTYFGV-AAEUAGOBSA-N 319.365 -0.048 30 20 DBED C#CCNC(=O)CC(=O)NCC1CC(NCCC[C@@H](C)O)C1 1100262634 ATUWFZCRPZVNQW-IYXRBSQSSA-N 309.410 -0.229 30 20 DBED C=CCNC(=O)CNC1CC(CNC(=O)[C@@H](C)CC(N)=O)C1 1100564724 UNVRIWVFQIWIJA-UNXYVOJBSA-N 310.398 -0.716 30 20 DBED CNC(=O)NCCC(=O)N(C)CCN=c1cc(C)[nH]cc1C#N 1101579326 YOQUVMCSCCSNKG-UHFFFAOYSA-N 318.381 -0.127 30 20 DBED COc1nc(C(=O)N(C)CCN=c2cc[nH]c(C#N)n2)co1 1101883540 ZQRMLUBCOSSTOS-UHFFFAOYSA-N 302.294 -0.049 30 20 DBED COCC#CCN1C[C@@H](C)[C@H](CNC(=O)c2cn(C)nn2)C1 1101932725 VRNIZIYEOJYPPO-CHWSQXEVSA-N 305.382 -0.237 30 20 DBED CN(CCNc1cncc(C#N)n1)C(=O)CN1CCCNC1=O 1102036345 DBUJNKNWXKFEGY-UHFFFAOYSA-N 317.353 -0.366 30 20 DBED N#Cc1cnc(N2CC[C@H](CCNC(=O)CC(N)=O)C2)cn1 1102308124 DVRIYLTWPSZDMW-JTQLQIEISA-N 302.338 -0.444 30 20 DBED C[C@H](CNC(=O)Cn1cnnc1O)CNc1nccnc1C#N 1103957933 AZRBVMAIDQBNJQ-SECBINFHSA-N 316.325 -0.490 30 20 DBED C[C@H](CNc1cnc(C#N)cn1)N(C)C(=O)[C@H]1CNC(=O)N1 1104784633 IDKDRYSJZVKDSB-PSASIEDQSA-N 303.326 -0.712 30 20 DBED COCC#CCNCc1cn(C2CN(C(=O)[C@H](C)OC)C2)nn1 1105176685 UQYKZMRLBIYIAB-LBPRGKRZSA-N 321.381 -0.564 30 20 DBED CC(C)[C@H](CNC(=O)[C@@H]1CNC(=O)N1)N=c1cc[nH]cc1C#N 1105277826 MLILVCROYZQZRB-STQMWFEESA-N 316.365 -0.391 30 20 DBED CN(CCN(C)c1ccc(C#N)nn1)C(=O)CCn1ccnn1 1105381879 SQMMPKOUGPIJOY-UHFFFAOYSA-N 314.353 -0.075 30 20 DBED CN1CCC[C@@H]1C(=O)NC[C@@H](O)CNc1ccc(C#N)cn1 1105755659 LZSPXLFETHNZQU-QWHCGFSZSA-N 303.366 -0.064 30 20 DBED CCn1cc(C(=O)NC[C@@H](O)CNc2ncccc2C#N)nn1 1105954411 VNQXXSWIPLGVBS-NSHDSACASA-N 315.337 -0.233 30 20 DBED CCNC(=O)CC(=O)N1C[C@@H](C)[C@H](CNCC#CCOC)C1 1106033619 ZOFBOIXVVDNDPE-ZIAGYGMSSA-N 309.410 -0.154 30 20 DBED N#Cc1cnc(NC[C@H](O)CNC(=O)CC2=CCOCC2)cn1 1106079021 UAGQDKQWXAHRGE-ZDUSSCGKSA-N 317.349 -0.026 30 20 DBED C#CCOCCC(=O)N[C@H](C)CCNc1nccn2nnnc12 1106441495 ALWWYJHKCVMSMR-LLVKDONJSA-N 317.353 -0.134 30 20 DBED C=CCCNC[C@@H]1CN(C(=O)C[C@H](NC(C)=O)C(N)=O)C[C@H]1C 1106736298 MKIDRYIWCXIBDP-BNOWGMLFSA-N 324.425 -0.373 30 20 DBED N#Cc1ccc(NC/C=C/CNC(=O)[C@H]2COC(=O)N2)nn1 1107176442 YLBUYCBPYUTVPD-TXXBHVLJSA-N 302.294 -0.459 30 20 DBED N#CCN1CC(n2cc(CNC(=O)Cc3cncs3)nn2)C1 1107180097 ADBPHLFOGONIJV-UHFFFAOYSA-N 317.378 -0.026 30 20 DBED C=CCC[C@H](C)N1CC(n2cc(CNC(=O)C(N)=O)nn2)C1 1107201782 BMDVQMDCYSVPHL-JTQLQIEISA-N 306.370 -0.409 30 20 DBED C[C@H](C(N)=O)N1CCO[C@](C)(CNC(=O)CSCC#N)C1 1107753500 HAFPUGAAYWSTAU-ZWNOBZJWSA-N 314.411 -0.676 30 20 DBED CC#CCN1CCO[C@@](C)(CNC(=O)c2nnn(C)c2C)C1 1107837574 LQZOADUHSOVZCE-HNNXBMFYSA-N 305.382 -0.032 30 20 DBED CC#CCN1CCO[C@](C)(CNC(=O)[C@H]2CCCC(=O)N2)C1 1108012940 ILVSHLZBLXINAM-CZUORRHYSA-N 307.394 -0.115 30 20 DBED C[C@@H](CNc1ccc(C#N)nn1)NC(=O)[C@@H]1CCNC(=O)C1 1108335077 HAXRZHCYEHBDGS-VHSXEESVSA-N 302.338 -0.209 30 20 DBED C=CCN1CCO[C@@](C)(CNC(=O)[C@@H]2CCS(=O)(=O)N2)C1 1108402413 DCDWZCXXNMHOLT-AAEUAGOBSA-N 317.411 -0.929 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CC(=O)N(C2CN(Cc3cnon3)C2)C1 1108528798 ZAORNBFKXXTUMM-NXEZZACHSA-N 318.337 -0.869 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN(C)C(C)=O 1108956179 HJCQLDMDZSDGKR-ILXRZTDVSA-N 307.394 -0.164 30 20 DBED CN(CCCN=c1cc[nH]c(C#N)n1)C(=O)[C@H]1CCCC(=O)N1 1109549483 BPJCGZOIHIHKJK-LLVKDONJSA-N 316.365 -0.301 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H]1COC(=O)N1 1110506378 PELUHOACYWDKLM-NDBYEHHHSA-N 307.350 -0.534 30 20 DBED C#CCN(C(=O)C(N)=O)C1CCN(c2nccnc2C#N)CC1 1110628460 CMOOIJKGZLNVEM-UHFFFAOYSA-N 312.333 -0.736 30 20 DBED CCOCC(=O)N(C)[C@H]1CN(c2ccc(C#N)cn2)C[C@@H]1O 1111169666 DNVAQDCSYVXTGR-STQMWFEESA-N 304.350 -0.002 30 20 DBED COC[C@H](C)C(=O)N(CCO)CCN=c1cc[nH]c(C#N)n1 1111438135 LZKKEIABYRBSHC-NSHDSACASA-N 307.354 -0.715 30 20 DBED C=CCCC(=O)NC[C@H]1CN(c2nccn3nnnc23)C[C@@H]1O 1112714517 FLYBVBYZQZOSLQ-QWRGUYRKSA-N 317.353 -0.601 30 20 DBED N#Cc1ccc(NCC2CC(NC(=O)CCNC(N)=O)C2)nn1 1112840264 PTOINFJDSHGDIQ-UHFFFAOYSA-N 317.353 -0.287 30 20 DBED C[C@H](N=c1cc[nH]c(C#N)n1)[C@@H](C)NC(=O)Cn1cnnc1O 1112978497 MPBMXGILIFJTIW-DTWKUNHWSA-N 316.325 -0.927 30 20 DBED CNC(=O)NCC(=O)NC[C@H](C)N(C)c1ccc(C#N)cn1 1113939468 ZGFDNUDOWHFQQH-JTQLQIEISA-N 304.354 -0.177 30 20 DBED COCCc1nc(CN2C[C@H]3C(NC(=O)[C@H](C)C#N)[C@@H]3C2)no1 1114066373 BXYQIVQCFMBQKO-GMTAPVOTSA-N 319.365 -0.035 30 20 DBED N#CCNC(=O)CN1C[C@H]2C(NC(=O)c3cccc(O)n3)[C@@H]2C1 1114101515 QXWKPHAQLKGORL-NXEZZACHSA-N 315.333 -0.913 30 20 DBED C[C@H](C(=O)NC(N)=O)N1C[C@H]2[C@H](NC(=O)C#CC(C)(C)C)[C@H]2C1 1114245379 KHRFADAUZMEFIJ-DCQANWLSSA-N 320.393 -0.334 30 20 DBED C=C(C)CN1C[C@H]2C(NC(=O)CCNS(C)(=O)=O)[C@@H]2C1 1114361024 HWZXILVGQOZHRM-GHMZBOCLSA-N 301.412 -0.452 30 20 DBED C=C(C)CCN1C[C@H]2C(NC(=O)CN(C)S(C)(=O)=O)[C@@H]2C1 1114363444 DCGVEZMFTSYQEL-VXGBXAGGSA-N 315.439 -0.110 30 20 DBED C#CCN1C[C@H]2[C@H](NC(=O)[C@H](Cn3cccn3)N(C)C)[C@H]2C1 1114404832 ICPAPSDDOYLINF-LJISPDSOSA-N 301.394 -0.507 30 20 DBED COCC#CCN1C[C@@H]2C(NC(=O)CN3CCCCC3=O)[C@H]2C1 1114515595 HMXLBPISCBTVJQ-KBPBESRZSA-N 319.405 -0.305 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3nc(C)c[nH]3)[C@H]2C1 1114946809 BEJNPBQDWHGVSS-PJXYFTJBSA-N 301.350 -0.872 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)CCN(C)CC)[C@H]2C1 1115074473 MMJCZJLDUOHSKF-VIKVFOODSA-N 306.410 -0.876 30 20 DBED C#CCCCNC(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 1116738749 LDMUKSLNZVKGDU-LLVKDONJSA-N 315.395 -0.608 30 20 DBED N#CCNC(=O)CNC(=O)C[C@@H](NC(N)=O)c1cccs1 1117320243 GAWSRHBFPZBURQ-MRVPVSSYSA-N 309.351 -0.396 30 20 DBED CC(C)N1CCC(NC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)CC1 1118207874 ULUGCVYIGHISOG-INIZCTEOSA-N 322.409 -0.148 30 20 DBED C=CCn1cc(CNC(=O)C(=O)NCCC2CCNCC2)nn1 1118267046 STZLQDKAVIOLPX-UHFFFAOYSA-N 320.397 -0.414 30 20 DBED CC#CC[C@H](CO)NC(=O)c1cn(C)c2c(cnn2C)c1=O 1118378403 OFUMYTRLKFAISD-SNVBAGLBSA-N 302.334 -0.224 30 20 DBED C=CCOCC(=O)NC[C@@H](CO)Nc1cc(COC)ncn1 1121324749 QJDMMSLOGWKTTL-LBPRGKRZSA-N 310.354 -0.285 30 20 DBED Cc1ncoc1C(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1 1121431795 CKHDBUWSJSXLMS-VIFPVBQESA-N 302.294 -0.731 30 20 DBED CC(C)[C@H](C(=O)NC[C@@H](CO)Nc1nccnc1C#N)N(C)C 1121840325 RMYCCRGVSNNHEY-WCQYABFASA-N 320.397 -0.177 30 20 DBED C=CCNC1CC2(C1)CC(NC(=O)CS(=O)(=O)NC)C2 1122203380 VDZCWIXYNJZXOB-UHFFFAOYSA-N 301.412 -0.261 30 20 DBED CNC(=O)NCC(=O)N1CC[C@@H](Nc2ccc(C#N)nn2)[C@@H]1C 1123111928 WAMRHCGYBFNZLU-GXSJLCMTSA-N 317.353 -0.321 30 20 DBED CCO[C@H](CC)C(=O)N(C)C[C@@H](O)CN=c1cc[nH]c(C#N)n1 1124136372 YQCWGAUPBLNWFI-NWDGAFQWSA-N 321.381 -0.184 30 20 DBED CN(C[C@@H](O)CNc1nccnc1C#N)C(=O)c1cocn1 1124199907 HXHOSCRYHBESBS-VIFPVBQESA-N 302.294 -0.119 30 20 DBED C=CCCO[C@@H](C)C(=O)NCCN[C@H](C)C(=O)NC(=O)NC 1124493965 CWFARWREYVXJIT-MNOVXSKESA-N 314.386 -0.483 30 20 DBED C=CCCC(=O)NCCNCC(=O)N1CCC(C(N)=O)CC1 1124640639 MJLCHEQOVFHFER-UHFFFAOYSA-N 310.398 -0.618 30 20 DBED CO[C@@H](C)C(=O)N(C)C[C@@H](O)CN(C)c1ccc(C#N)nn1 1124958593 VUHCQYYQUACHNV-JQWIXIFHSA-N 307.354 -0.361 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)CCn1ccnn1 1126281685 OWRIURWMBPUPPI-UHFFFAOYSA-N 320.397 -0.425 30 20 DBED CC1(C)NC(=O)N(CCNCCNC(=O)C#CC2CC2)C1=O 1126885450 GROSDFKLBIIDLN-UHFFFAOYSA-N 306.366 -0.564 30 20 DBED C#CCO[C@H](C)C(=O)NCCNCCCNS(=O)(=O)CC 1127046451 ROYRXLZKQXFZTP-GFCCVEGCSA-N 319.427 -0.940 30 20 DBED CN(CCOCCN=c1cc[nH]c(C#N)n1)C(=O)c1cc[nH]n1 1127170040 DHFOKLBVZPCOCW-UHFFFAOYSA-N 315.337 -0.306 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)[C@]1(CC)CCNC1=O 1129875785 YRTKFKFMCYJBGQ-XHDPSFHLSA-N 310.398 -0.701 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)COCc1cc(C)on1 1130117872 DPLJHOKHNPPKJV-GFCCVEGCSA-N 324.381 -0.104 30 20 DBED COCC#CCNCCNC(=O)[C@@H]1CCc2nncn2CC1 1131508311 HVZVRSHWYPSVOB-CYBMUJFWSA-N 305.382 -0.414 30 20 DBED C=C[C@](C)(CCOC)C(=O)NCCNCCS(C)(=O)=O 1131867537 RMKDMYSWMIQSRO-CYBMUJFWSA-N 306.428 -0.034 30 20 DBED C[C@H]1CC[C@@H](NC(=O)c2cnco2)CN1CC(=O)NCC#N 1132204657 XZZJWEVMMUJEDJ-WDEREUQCSA-N 305.338 -0.103 30 20 DBED C[C@H]1CC[C@H](NC(=O)CN2CCCC2)CN1CC(=O)NCC#N 1132489666 LYDJYHSQXNLREZ-KBPBESRZSA-N 321.425 -0.309 30 20 DBED C[C@H]1CCN(C(=O)CN2CCCNC2=O)C[C@@H]1CNCC#N 1132950790 QRCZSTDFPVVDQQ-STQMWFEESA-N 307.398 -0.001 30 20 DBED C=CCNC[C@H]1CN(C(=O)CS(=O)(=O)NC)CC[C@H]1C 1133333446 HPMRYFHDJKJRKW-NEPJUHHUSA-N 303.428 -0.204 30 20 DBED C[C@H](C[C@@H](C)NC(=O)CCn1cncn1)NCC(=O)NCC#N 1133759320 ROKCJUGWDGEDKQ-VXGBXAGGSA-N 321.385 -0.819 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)CN(C)CC(C)(C)C 1133908438 QWFDJFMTHRFXON-ZDUSSCGKSA-N 310.442 -0.192 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)[C@H]1C[C@H]1C(=O)N(C)C 1133928823 JNFCLFLZWQVZTQ-SDDRHHMPSA-N 310.398 -0.893 30 20 DBED C[C@H](C[C@@H](C)NC(=O)CN(C)C1CCC1)NCC(=O)NCC#N 1134607987 OYJUNFAUAVPDMF-CHWSQXEVSA-N 323.441 -0.017 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)c1ncccn1 1135610030 VWFWEGZUNYMKTE-JTQLQIEISA-N 320.353 -0.804 30 20 DBED N#CCNC(=O)CN1CCC2(C1)CN(C(=O)c1cc[nH]n1)C2 1147026221 MIZVXYUAPXHAJI-UHFFFAOYSA-N 302.338 -0.803 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1ccc2nnn(C)c2c1 1149223982 VGBXOSONCGXYHM-UHFFFAOYSA-N 314.349 -0.963 30 20 DBED C=CCCC(=O)NC[C@H]1CN([C@@H]2CCC(=O)NC2=O)CCCO1 1149362106 OPJBSLJYVHFEJJ-QWHCGFSZSA-N 323.393 -0.035 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN([C@H]2CCNC2=O)CCCO1 1149674557 YFHVJDOZAARADS-KBPBESRZSA-N 307.394 -0.259 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)[C@@H](C)S(C)(=O)=O)C1 1149904681 UVCLIBIYTYJWKP-NEPJUHHUSA-N 302.396 -0.740 30 20 DBED Cn1ncnc1COCC(=O)NC[C@H]1CN(CC#N)CCCO1 1150541738 QXSAETKGBQFTOA-LBPRGKRZSA-N 322.369 -0.938 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@@H](CC)N1CCCC1=O 1151535806 ZXHZARBNUSSDDF-QWHCGFSZSA-N 322.409 -0.769 30 20 DBED CCN(CCC#N)C(=O)CNCCCNC(=O)c1cnn[nH]1 1161691614 UBRXDYCPJBMTIE-UHFFFAOYSA-N 307.358 -0.724 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)[C@H]1CC[C@@H](C(N)=O)C1 1166796040 BIYXNYCSAZNYGZ-UPJWGTAASA-N 324.425 -0.325 30 20 DBED CCCn1cc(C(=O)NCCCNCC(=O)NCC#N)cn1 1167449372 PWKTUNWZQPZLPN-UHFFFAOYSA-N 306.370 -0.358 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)[C@H](C)Cc1cnc[nH]1 1167991031 FVGFNYWOYBWTTC-CHWSQXEVSA-N 319.409 -0.178 30 20 DBED COCC#CCNCCCNC(=O)[C@H]1CCCCN1C(N)=O 1170770240 BHDGDKOKOPSDKL-CYBMUJFWSA-N 310.398 -0.335 30 20 DBED CNC(=O)CN1CCO[C@@H]2CCN(C(=O)C#CC(C)C)C[C@@H]21 1176999754 ITELTHQTYYVRBC-UONOGXRCSA-N 307.394 -0.307 30 20 DBED C#CCNC[C@@H]1C[C@H]2CC[C@H]1N(C(=O)Cn1ncn(C)c1=O)C2 1177814944 URSSUPIJSGPLHL-HZSPNIEDSA-N 317.393 -0.568 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)c2ccnn2C)[C@H]1C 1178275179 AVKFPWAQYSTBBC-AGIUHOORSA-N 317.393 -0.249 30 20 DBED C=C(C)CCN[C@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)[C@H]1C 1178736616 ZNAXPBSFEDNBCX-RYUDHWBXSA-N 320.397 -0.078 30 20 DBED C[C@H]1[C@@H](NCC#N)CCN1C(=O)CCCCCS(N)(=O)=O 1180328540 AWRFZBXUTIHIHK-RYUDHWBXSA-N 316.427 -0.062 30 20 DBED COCC(=O)N[C@@H](C)C(=O)N1C[C@@H](C)[C@](C)(CNCC#N)C1 1181563332 DKNXNZAFIZTNHG-TYNCELHUSA-N 310.398 -0.265 30 20 DBED Cc1cc(CC(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)no1 1181716261 FPOVQXVSOVZYMJ-LLVKDONJSA-N 305.338 -0.644 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)Cc2ncccc2F)C1 1185166749 KKTSPFMRZVTFNV-GFCCVEGCSA-N 318.352 -0.297 30 20 DBED C[C@@H]1CN(C(=O)C2CC(=O)NC(=O)C2)CC[C@@H]1CNCC#N 1185283490 PZFOVSRXZDUTSO-GHMZBOCLSA-N 306.366 -0.363 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)COCC2CC2)C1 1189060227 YHGRUSZIAWYKAO-CQSZACIVSA-N 307.394 -0.305 30 20 DBED C=CCOCC(=O)N1CC[C@@H](N(C)Cc2nc(=O)n(C)[nH]2)C1 1189372623 ZBEIRDREKQFMKE-LLVKDONJSA-N 309.370 -0.656 30 20 DBED CN(CC(=O)NCC#N)[C@H]1CCN(C(=O)C[C@@H]2COC(=O)C2)C1 1189652303 PRLUBSKAKALROU-RYUDHWBXSA-N 322.365 -0.888 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)CN2CCOCC2)C1 1189717709 SSNFYFBPUMDAFO-CQSZACIVSA-N 324.425 -0.847 30 20 DBED N#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)CC2=CCCCC2)C1 1191745627 WIRVBLKDUMJFJH-ZIAGYGMSSA-N 320.393 -0.322 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)c2nnn(C)c2C)C1 1191959766 GWLLCOZHRSSEES-VXGBXAGGSA-N 309.370 -0.899 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)CC[C@H](C)OC)C1 1192339981 UDBSRIWLGGPYFP-YNEHKIRRSA-N 313.398 -0.735 30 20 DBED C#CCC1(C(=O)N[C@@H]2CN(C[C@@H](O)COC)C[C@H]2O)CCC1 1193684463 AMXLALNIFXYUEP-MGPQQGTHSA-N 310.394 -0.651 30 20 DBED C=CCCCN1C[C@@H](O)[C@H](NC(=O)C2CCN(C(N)=O)CC2)C1 1198482886 SXPPAYUOVFNICS-ZIAGYGMSSA-N 324.425 -0.095 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CCN(C(=O)[C@@H]2[C@H]3COC[C@H]32)CC1 1202076279 WUMBHJVPPMFBNL-RZFFKMDDSA-N 319.405 -0.403 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)C2(C(N)=O)CC2)CC1 1202245935 OQRLDXQPUUUFGO-UHFFFAOYSA-N 308.382 -0.865 30 20 DBED C=CCN[C@H]1C[C@@H](NC(=O)CNC(=O)CNC(C)=O)C12CCC2 1203095872 VBWBLIFXTDRIEH-QWHCGFSZSA-N 322.409 -0.558 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@@H](NC(=O)CCN(C)C)C12CCC2 1203358985 LWQGFQCPZISALO-UONOGXRCSA-N 320.437 -0.296 30 20 DBED CCc1nc[nH]c1C(=O)N1CCC(NCC(=O)NCC#N)CC1 1203538935 NDOWYQHGIXAAEO-UHFFFAOYSA-N 318.381 -0.194 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@H]2CC[C@H]1N(C(=O)CC(C)(C)O)C2 1204256277 RORMZFOUBNQAEX-HZSPNIEDSA-N 321.421 -0.134 30 20 DBED C#CCN[C@@H]1CCCN(C(=O)[C@@H](C)NS(=O)(=O)CC)C1 1208110585 NZGBHNLQACABCH-VXGBXAGGSA-N 301.412 -0.472 30 20 DBED CC#CCN[C@H]1CCCN(C(=O)CCCN2C(=O)CNC2=O)C1 1211015385 SMPICGFJZUEHFD-ZDUSSCGKSA-N 320.393 -0.078 30 20 DBED CO[C@@H]1CN(CC(=O)NCC2CC2)C[C@H]1NC(=O)C#CC(C)C 1212231108 MCYPBYZGDUMBBZ-HUUCEWRRSA-N 321.421 -0.013 30 20 DBED C=CCN1C[C@@H](NC(=O)[C@H](C)CN2CCOCC2)[C@H](OC)C1 1213863150 FQVRFGMZHACBTN-RBSFLKMASA-N 311.426 -0.044 30 20 DBED C=CCN1C[C@@H](NC(=O)CS(=O)(=O)CCC)[C@H](OC)C1 1213874110 DKJXWOVZKPLVBZ-VXGBXAGGSA-N 304.412 -0.187 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CCN(C)[C@@H]2C)C[C@H]1C 1214661817 FTWRHAMTFOJDFT-KBUPBQIOSA-N 320.437 -0.488 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)CCN(C)C)C[C@H]1C 1215458989 SLFNZMDZUIMJRS-HZSPNIEDSA-N 308.426 -0.488 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)/C=C/c2ccco2)C1 1219113721 GGXBLFPLYBGNMY-IHDARNGBSA-N 317.345 -0.797 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(CCCc2nc(C)no2)C[C@@H]1O 1219363711 GSFJIMHFLMKPOR-OLZOCXBDSA-N 324.381 -0.325 30 20 DBED C=CCN1CC[C@@H](N2C[C@H](O)[C@H](NC(=O)/C(C)=C\C)C2)C1=O 1219443340 OIKBVJDSRADPNC-GEMYPJNZSA-N 307.394 -0.099 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2noc(CC)n2)C[C@@H]1O 1219602964 MRKBLLLBCWTNHS-UTUOFQBUSA-N 322.365 -0.668 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)C2(N(C)C)CCC2)C1 1219801980 ASCXFUCJRJICSZ-KGLIPLIRSA-N 309.410 -0.718 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)c2ccnnc2C)C1 1219949414 BVPKYQVCDUTAKE-KGLIPLIRSA-N 306.366 -0.237 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)CCC(=O)NC2CCCC2)C1 1220609299 PTEOLSHEDKDHBW-KGLIPLIRSA-N 307.394 -0.380 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC(NC(=O)COCC=C)CC1 1226570913 LNFDKNKNRNYRRZ-CYBMUJFWSA-N 307.394 -0.093 30 20 DBED COCC#CCN1CCC(NC(=O)[C@@H](C)S(C)(=O)=O)CC1 1228014443 GAWOBFMLQGHERR-GFCCVEGCSA-N 316.423 -0.350 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)[C@H](COC)OC)CC1 1229116471 VGGQHDMAIHSTPC-ZDUSSCGKSA-N 313.398 -0.469 30 20 DBED C=CCn1cc(C(=O)NC2CCN(C[C@@H](O)COC)CC2)nn1 1229500336 NONLDRAMQPMQAK-CYBMUJFWSA-N 323.397 -0.334 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)C[C@@H]2CCC(=O)N2)CC1 1229592627 GRHMKEQMTTUWNK-ZDUSSCGKSA-N 322.409 -0.462 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)c1cccc(O)n1 1231405275 KLADULRIQKCUEY-GFCCVEGCSA-N 316.361 -0.317 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)c1n[nH]cc1C 1234111397 JSKVYTNMIGUJBR-GFCCVEGCSA-N 303.366 -0.386 30 20 DBED C=CCN1CCC(NC(=O)C(=O)NCC(=O)NCC2CC2)CC1 1258211324 MXLUJRPZCMIUEM-UHFFFAOYSA-N 322.409 -0.605 30 20 DBED CS(=O)(=O)C1CN(S(=O)(=O)c2ccccc2C#N)C1 1258238252 NSCYWNBTMRVQFM-UHFFFAOYSA-N 300.361 -0.024 30 20 DBED C#CCOCCNC(=O)C(=O)NCCOc1ncccc1F 1260309600 NFWBHMLGTYEBED-UHFFFAOYSA-N 309.297 -0.518 30 20 DBED C#CCSCCNC(=O)C(=O)N[C@H](C)[C@@H]1CN(C)CCO1 1261092970 VRUBOPUVSALKFF-NEPJUHHUSA-N 313.423 -0.696 30 20 DBED O=C(NC[C@H](O)CN1CCCC1=O)c1cccc(C#CCO)c1 1262155535 NNHYPXJMAZFWRH-HNNXBMFYSA-N 316.357 -0.257 30 20 DBED C#CC[C@H]1NC(=O)N(c2ccc(=O)n(CCN(C)C)c2)C1=O 1262384682 MDNKGEMSCYXMEU-GFCCVEGCSA-N 302.334 -0.142 30 20 DBED CC(C)NC(=O)COC(=O)CCN/C(O)=C1/N=CC=CC1=O 1318672879 VYXXKNVTJALXBM-YPKPFQOOSA-N 309.322 -0.029 30 20 DBED COCCN(CCOC)C(=O)C(=O)Nc1ccn(CCC#N)n1 1319194462 IRBDISUXZGVNPL-UHFFFAOYSA-N 323.353 -0.143 30 20 DBED COC[C@H](CCO)NC(=O)C(=O)Nc1cc(C)n(CCC#N)n1 1319783582 DUABTOMPODLWQK-NSHDSACASA-N 323.353 -0.443 30 20 DBED C#CCN1CCC[C@@H](NC(=O)C(=O)Nc2cc(OC)n[nH]2)C1 1331409922 QYYULPHYZIWGGL-SNVBAGLBSA-N 305.338 -0.429 30 20 DBED N#C[C@@]1(F)CCN(C(=O)C(=O)NCC2CC3(C2)OCCO3)C1 1334508792 IVGDEOXQUOQZHT-ZDUSSCGKSA-N 311.313 -0.280 30 20 DBED C=CCn1c(N2CCN3C(=O)NC[C@@H]3C2)nnc1C(C)(C)O 1339835899 BZCPOXXHWHHCIE-SNVBAGLBSA-N 306.370 -0.095 30 20 DBED C=CCCN(C)C(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1342097403 LLIXDWFDOJWGLZ-SEYXRHQNSA-N 320.349 -0.337 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N(C)CCN(C)C2CC2)nn1 1349045159 IHPFDDUBXKUMPH-UHFFFAOYSA-N 320.397 -0.367 30 20 DBED Cn1c(=O)[nH]c(NCC(=O)NCc2ccccc2)c(C#N)c1=O 1363132885 GGDRRGXFZYFSNM-UHFFFAOYSA-N 313.317 -0.326 30 20 DBED CN(C[C@H](O)CNCc1cn(C)nn1)C(=O)c1cc(C#N)c[nH]1 1369459391 JHDRLUJZXTYSRW-GFCCVEGCSA-N 317.353 -0.762 30 20 DBED C[C@@H](C#N)C(=O)NCCN1CCN(Cc2ccnn2C)CC1 1369891092 WDLZWMUUFHUVIT-ZDUSSCGKSA-N 304.398 -0.186 30 20 DBED CCC(=O)NCC(=O)NC[C@@H]1CCN1C(=O)c1ccc(C#N)[nH]1 1378280297 BDIZBKISCHJHKQ-NSHDSACASA-N 317.349 -0.257 30 20 DBED CCS(=O)(=O)CC(=O)NCC1(NC(=O)[C@@H](C)C#N)CC1 1378874994 WABWTXPWCOXIQN-VIFPVBQESA-N 301.368 -0.654 30 20 DBED CNC(=O)NCC(=O)N(C)C[C@@H](C)NC(=O)c1cc(C#N)c[nH]1 1382023997 GJMPHWRKQBXCTO-SECBINFHSA-N 320.353 -0.608 30 20 DBED C[C@H](C#N)C(=O)N[C@H](CNC(=O)CCn1ccnn1)C1CC1 1385864237 GWYGLURMNWOYMZ-ZYHUDNBSSA-N 304.354 -0.161 30 20 DBED C[C@H](C#N)C(=O)N(C)CCN(C)C(=O)[C@H]1CCCS1(=O)=O 1391845862 UVXJHVUQJQKJIY-GHMZBOCLSA-N 315.395 -0.360 30 20 DBED N#Cc1c[nH]c(C(=O)NCC2(NCC(=O)N3CCC3)CC2)c1 1392900459 STPCEDLRJVCILN-UHFFFAOYSA-N 301.350 -0.029 30 20 DBED C[C@@H](CNC(=O)c1cccn2nnnc12)CNC(=O)[C@H](C)C#N 1399385756 GEWCTPWXTJFLKY-NXEZZACHSA-N 315.337 -0.234 30 20 DBED CC(C)[C@H](CCN(C)C(=O)Cn1ncnn1)NC(=O)[C@H](C)C#N 1404569930 STERXXYMQFGPLK-NEPJUHHUSA-N 321.385 -0.178 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)CCc2cncnc2)C1 1406401094 MBPLHBSPIMXHKD-UHTWSYAYSA-N 317.349 -0.743 30 20 DBED CNC(=O)NCC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)[C@H](C)C#N 1406673675 NWRBKQSTDPZVDU-UTUOFQBUSA-N 323.397 -0.182 30 20 DBED Cc1c(C(=O)NC[C@H](C)NC(=O)c2c[nH]c(C#N)c2)nnn1C 1415134925 WSZPMIULQSTPJL-QMMMGPOBSA-N 315.337 -0.128 30 20 DBED C=C(Cl)CN1CC[C@@H](CNC(=O)CS(=O)(=O)NC)C1 1418700149 RASOZQBYDSNEPK-JTQLQIEISA-N 309.819 -0.274 30 20 DBED C=C(Cl)CN1CCO[C@@H](CNC(=O)CS(=O)(=O)CC)C1 1419581737 QELSCQBVALHUHR-NSHDSACASA-N 324.830 -0.009 30 20 DBED C=C(Br)CNC[C@@H](C)NC(=O)CNC(=O)NC 1422489878 KPHJJIRTGAMRPV-MRVPVSSYSA-N 307.192 -0.082 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CN(C)C(=O)Cc1cccnc1 1425793983 YSNRGDZOSWDLJD-YPMHNXCESA-N 304.350 -0.281 30 20 DBED COC(=O)NCC(=O)N1CC[C@](C)(CNC(=O)[C@@H](C)C#N)C1 1432622793 LTGNGUCVVVPZTB-IINYFYTJSA-N 310.354 -0.143 30 20 DBED C[C@H](C#N)C(=O)NCCN(C)[C@H](C)C(=O)NC(=O)NC1CC1 1442377451 KUZVGUHBQIHFKS-NXEZZACHSA-N 309.370 -0.429 30 20 DBED C[C@@H](C#N)C(=O)N1CC([C@@H](C)NC(=O)CCS(C)(=O)=O)C1 1450342229 BNSPZJZVENIKPK-VHSXEESVSA-N 315.395 -0.456 30 20 DBED CCc1nnc(N2CCO[C@H](C#N)C2)n1CCS(C)(=O)=O 1460489466 JBQQXBIULDNZIL-SNVBAGLBSA-N 313.383 -0.386 30 20 DBED C[C@H](C#N)C(=O)NCCN1CCN(CCn2cccn2)CC1 1479927948 CNRNGWMPFFZHPM-CQSZACIVSA-N 304.398 -0.223 30 20 DBED COCCN(CCNC(=O)c1cn(C)nn1)C(=O)[C@@H](C)C#N 1511853110 INEQLGFZRVNLAJ-JTQLQIEISA-N 308.342 -0.820 30 20 DBED C[C@H](C(=O)NCCN(C)C(=O)c1c[nH]c(C#N)c1)n1cncn1 1528048816 LAAZRUVSMZCEFU-SNVBAGLBSA-N 315.337 -0.073 30 20 DBED N#Cc1cn(CC(=O)NC2(C(=O)O)CCCCC2)c(=O)nc1O 1571146466 YUZNXRABTFGECQ-UHFFFAOYSA-N 320.305 -0.276 30 20 DBED C[C@H]1CC[C@H](NC(=O)CCn2cc(C#N)c(O)nc2=O)CN1 1576657077 MFRSXEXPSSPIBB-ONGXEEELSA-N 305.338 -0.533 30 20 DBED C=C(CO)C(=O)N1CC[C@H](Oc2ccc(-c3nn[nH]n3)cn2)C1 1588444303 WKVSDBKHAUWUSI-NSHDSACASA-N 316.321 -0.210 30 20 DBED C=C[C@@H](C(=O)O)N(CC)CC(=O)N[C@H]1CCS(=O)(=O)C1 1588663743 KIOVGSUDUICWGN-UWVGGRQHSA-N 304.368 -0.749 30 20 DBED C=CCn1cc(C(=O)NC2CN(C(=O)[C@@H]3C[C@@H]3C(=O)O)C2)nn1 1588910481 ZSGKFMZHLHCXGH-ZJUUUORDSA-N 319.321 -0.875 30 20 DBED C[C@@H]1[C@@H](C(=O)O)CCN1C(=O)C(=O)NC1CCN(CC#N)CC1 1594138714 NZHGICUKDULZGQ-PWSUYJOCSA-N 322.365 -0.588 30 20 DBED C=C(CC)CNC(=O)C(=O)N1CC[C@]2(CC(C(=O)O)=NO2)C1 1602774813 XZAFFRRKHAEDLC-AWEZNQCLSA-N 309.322 -0.099 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCC(C)(C)C(=O)O)C1=O 1602894540 JHHMIYCIHGNKGZ-UHFFFAOYSA-N 311.294 -0.810 30 20 DBED CN1CCN(c2nnc(Cn3cnc(C#N)n3)n2C)CC1(C)C 1646667424 VQARQPDNOOECLM-UHFFFAOYSA-N 315.385 -0.143 30 20 DBED C#Cc1ccc(C(=O)NCCN2CCN(CCCO)CC2)nc1 1752374996 FSWYDTCGNJTSPE-UHFFFAOYSA-N 316.405 -0.207 30 20 DBED C#CCNC(=O)CN[C@H](C)CNC(=O)CCc1ccncn1 1752877627 XSZWMIDKNWPKAZ-GFCCVEGCSA-N 303.366 -0.747 30 20 DBED C=CCNC(=O)CN1CCC[C@H]1CNC(=O)C[C@H]1CCC(=O)N1 1753113587 QSPVECAXIRBRNK-OLZOCXBDSA-N 322.409 -0.462 30 20 DBED CCc1cc(C(=O)NCC2CN(CC(=O)NCC#N)C2)n(C)n1 1753412507 JFZHPEGSXVXBBO-UHFFFAOYSA-N 318.381 -0.716 30 20 DBED C#CCN1CC[C@@H](N(CC)C(=O)CS(=O)(=O)CCOC)C1 1753457602 VBWDHNDBUNQINQ-CYBMUJFWSA-N 316.423 -0.396 30 20 DBED N#CCNC[C@@H](O)CNC(=O)c1ccn(CC(F)(F)F)n1 1753913867 CDWNEMNZVBSFEO-MRVPVSSYSA-N 305.260 -0.351 30 20 DBED C#CCNC(=O)[C@H](C)NC/C=C/CNC(=O)C[C@H]1COC(=O)C1 1754110622 JRYWCHCYSZRHET-QITAHTHBSA-N 321.377 -0.661 30 20 DBED C#CCN1CCC(C(=O)N[C@H](C)CN[C@@H](C)C(=O)N(C)C)CC1 1754254501 DSHPNHRPNCZDQF-KGLIPLIRSA-N 322.453 -0.097 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCN(C)C(=O)CN1CCCC1=O 1754356855 QCWXJGXNVWCCIA-CYBMUJFWSA-N 322.409 -0.815 30 20 DBED C#CCNC(=O)[C@H](C)NCCCN(C)C(=O)C12CCN(CC1)C2 1754407786 LZQQZDLSPPHKFB-AWEZNQCLSA-N 320.437 -0.342 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)N1C[C@@H]2CN(CCO)C[C@@H]2C1 1754844144 BFMVSVUIKVDVNQ-ZNMIVQPWSA-N 309.410 -0.160 30 20 DBED CC#CCN1CCC[C@](CO)(NC(=O)c2cccc(=O)n2C)C1 1754858318 YHOZCJUFNMYEKR-KRWDZBQOSA-N 317.389 -0.035 30 20 DBED C#CCNCCN(CCO)C(=O)c1cnc2ccccn2c1=O 1754885614 SOAPRMJJSYERTM-UHFFFAOYSA-N 314.345 -0.648 30 20 DBED CC/C(C)=C/C(=O)N1CCO[C@@H](CNCC(=O)NCC#N)C1 1755002842 ZTQTWMVZLASRSH-RPHSKFLZSA-N 308.382 -0.201 30 20 DBED CC#CCNC[C@H]1CN(C(=O)C(C)(C)N2CCOCC2)CCO1 1755013834 WXNQNOFFULKNBN-HNNXBMFYSA-N 323.437 -0.063 30 20 DBED C#CCOCCC(=O)N1CCC[C@H]1CN(C)[C@@H]1CCNC1=O 1755193100 RLZHUEGALJNJPR-UONOGXRCSA-N 307.394 -0.162 30 20 DBED C=C[C@](C)(O)CC(=O)NC1(CCO)CN(Cc2nnc(C)o2)C1 1755331847 TURSSEWQFBJJLR-AWEZNQCLSA-N 324.381 -0.242 30 20 DBED C#CCOCCC(=O)N[C@H](C)C1CN([C@@H](C)C(=O)NC(N)=O)C1 1755375293 YDHVCEZEXCKTBA-MNOVXSKESA-N 324.381 -0.954 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H](C)C1CN(CC(=O)NCCC)C1 1755376562 FVCCJDYOYOMDNV-CHWSQXEVSA-N 309.410 -0.013 30 20 DBED CNC(=O)NCCC(=O)N(C)[C@@H](CNCC#CCOC)C1CC1 1755570795 JJCHXKPMOBCVRD-AWEZNQCLSA-N 324.425 -0.218 30 20 DBED CCOCCNC(=O)CN[C@H](C)CN(C)C(=O)C#CC1CC1 1755587097 WJVOBXLACNSCAG-CYBMUJFWSA-N 309.410 -0.011 30 20 DBED COc1cc(C(=O)N[C@@H](CO)CNC(=O)C#CC(C)C)ccn1 1756518020 STPMZUCZPWBNRG-CYBMUJFWSA-N 319.361 -0.044 30 20 DBED CC(C)C#CC(=O)N(C)C[C@@H]1CCN1C(=O)[C@@H]1COC(=O)N1 1757286600 UYMPMSCDWHZGAJ-RYUDHWBXSA-N 307.350 -0.187 30 20 DBED COCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)S)C[C@@H]21 1786496291 PAIHRAMLJLVIAY-RHYQMDGZSA-N 316.423 -0.069 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCC=CO1 1797722102 YUYIRLXWPSZQES-XFMPKHEZSA-N 304.346 -0.098 30 20 DBED C=CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COCCO 1799340912 GWNYDOFDCHONAH-JJLQDPRZSA-N 312.366 -0.839 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCCCN1C)C2 1800450821 OWIBBNNHKWGHEX-FQLMCAECSA-N 319.405 -0.307 30 20 DBED C#CC(=O)N[C@H]1CCc2nc(NC(=O)[C@@H](C)NC=O)sc2C1 1822902578 IIYJELYUZQLMDR-BDAKNGLRSA-N 320.374 -0.177 30 20 DBED Cn1c(NC[C@@H](O)C2CCOCC2)c(C#N)c(=O)n(C)c1=O 76690646 LRODYISCMGGWDC-LLVKDONJSA-N 308.338 -0.845 30 20 DBED CCOCCO[C@H]1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)C1 130002319 HYPNYIGXMHPGEZ-NSHDSACASA-N 322.365 -0.413 30 20 DBED C=CCCOCC(=O)N1CCN(C(=O)C(=O)NC(C)C)CC1 143670783 IUGSWHOYFDLZAN-UHFFFAOYSA-N 311.382 -0.226 30 20 DBED C#CCCN1CCN(S(=O)(=O)CCOCCOC)CC1 152225351 PMPKZPJKWQXYGI-UHFFFAOYSA-N 304.412 -0.380 30 20 DBED C/N=C(/NC[C@@]1(O)CCSC1)N1CCN(C(C)=O)CC1 262474441 ZONJCHJCBGBSIS-ZDUSSCGKSA-N 300.428 -0.406 30 20 DBED N#Cc1ccnc(N2CCN(CCCS(N)(=O)=O)CC2)c1 264224882 WRAYPRKUDDWGSZ-UHFFFAOYSA-N 309.395 -0.246 30 20 DBED N#Cc1ncccc1S(=O)(=O)NCCCN1CCNC(=O)C1 276950215 BRQTXOMPUWQCTB-UHFFFAOYSA-N 323.378 -0.947 30 20 DBED N#Cc1ncccc1S(=O)(=O)NCCCN1C(=O)CCC1=O 277026930 NRMSLLLVWOBDLX-UHFFFAOYSA-N 322.346 -0.229 30 20 DBED C[C@@H](CNS(=O)(=O)c1cncc(C#N)c1)N1CCN(C)CC1 289504338 QHJNJMITFBETOV-LBPRGKRZSA-N 323.422 -0.133 30 20 DBED C#CCNC(=O)[C@H](C)N(C)C[C@H](O)CNC(=O)OC(C)(C)C 296982699 ZDVYQDGQAASKQN-NWDGAFQWSA-N 313.398 -0.058 30 20 DBED CCN1CCN(/C(O)=N/C[C@H]2CCCS2(=O)=O)CC1=O 329611990 RLDSXOGIRSLTBA-SNVBAGLBSA-N 303.384 -0.358 30 20 DBED COCCN1CCN(/C(O)=N/[C@@H]2CCCS(=O)(=O)C2)CC1 329803843 ZUHBSAKMQLBDKZ-GFCCVEGCSA-N 319.427 -0.258 30 20 DBED C[C@@H](CO)N/C(O)=N/CCS(=O)(=O)N1CCSCC1 330376321 HMQYCTFSNZEYOE-VIFPVBQESA-N 311.429 -0.751 30 20 DBED CS(=O)(=O)[C@@H]1CCN(/C(O)=N/CCCN2CCOCC2)C1 330406120 IECQUJBDINEBKI-GFCCVEGCSA-N 319.427 -0.258 30 20 DBED Cc1cc(C(=O)N[C@@H](C)C#N)nc2c1c(=O)n(C)c(=O)n2C 332728544 UVNNJJNCAFSTNO-QMMMGPOBSA-N 301.306 -0.418 30 20 DBED C[C@H](O)C[C@@H]1COCCN1S(=O)(=O)N(C)C[C@H](C)C#N 336938589 HRCYEALQPWORGH-GRYCIOLGSA-N 305.400 -0.206 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)[C@@H]2CCS(=O)(=O)C2)C1=O 337069375 MAVKOYWEORLKBS-GHMZBOCLSA-N 300.380 -0.334 30 20 DBED N#Cc1cc(NC(=O)C(=O)NC[C@@]2(O)CCOC2)ccc1F 339150152 SBBVAOCKIABOSK-AWEZNQCLSA-N 307.281 -0.097 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)Cn2cc(C(=O)OC)nn2)C1=O 343775581 GVAZYWASDZPSAM-NSHDSACASA-N 321.337 -0.690 30 20 DBED C=C[C@H](CO)NC(=O)N[C@@H]1CC(=O)N(C)[C@H]1c1cnn(C)c1C 359060389 UDHXACWOGYSUAP-QKCSRTOESA-N 321.381 -0.154 30 20 DBED C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)s2)C[C@H](C(N)=O)O1 375633918 DNPICMCERIINOW-VXNVDRBHSA-N 315.376 -0.117 30 20 DBED COCCN(C)CCN1C[C@@H](NC(=O)CCCC#N)CC1=O 425316764 MBYLUSQODSZRBE-ZDUSSCGKSA-N 310.398 -0.024 30 20 DBED CN(C)C(=O)Cn1cnc(NC(=O)NCC2(CC#N)CC2)n1 432157493 XZOKMDKSULIHQE-UHFFFAOYSA-N 305.342 0.182 30 20 DBED C=CCOC[C@@H](NC(=O)[C@H]1CSCN1C(C)=O)C(=O)O 455924896 YVVVWFBHLVAAJU-NXEZZACHSA-N 302.352 -0.320 30 20 DBED C#CCN1CCN(C(=O)CN2[C@H]3CC[C@@H]2CN(C)CC3)CC1 491717691 RKECZCQGSKNRAX-JKSUJKDBSA-N 304.438 -0.068 30 20 DBED C[C@@H](CNS(=O)(=O)c1cccnc1C#N)S(C)(=O)=O 570790948 SMHOAUNJARTAPN-QMMMGPOBSA-N 303.365 -0.335 30 20 DBED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CCO[C@@H]3C[C@@H]32)n1 590277756 TXOSTBXRJIHWMS-WDEREUQCSA-N 317.349 0.448 30 20 DBED COc1cncc(NC(=O)C(=O)N2CCC[C@@H](CC#N)C2)n1 595084773 JCQNPPAXMMYTMJ-JTQLQIEISA-N 303.322 0.576 30 20 DBED C[C@@H](C#N)N(C(=O)CNS(=O)(=O)c1cn(C)cn1)C1CC1 598132530 TYODTJGHUGQGBH-VIFPVBQESA-N 311.367 -0.399 30 20 DBED N#CCCN1CCN(C(=O)C(=O)NCCCn2ccnc2)CC1 602223291 NHJUGAXRGXLSQG-UHFFFAOYSA-N 318.381 -0.553 30 20 DBED CN1CCC[C@@H](N2CCN(C(=O)Cn3cnc(C#N)n3)CC2)C1 610885075 IAGNGVMFMWTAEG-CYBMUJFWSA-N 317.397 -0.612 30 20 DBED C=C[C@H](O)C(=O)N1CCN(c2ncnc3c2cnn3C)CC1 646617697 AGQVWMCSNZFVCK-NSHDSACASA-N 302.338 -0.441 30 20 DBED COCCNC(=O)[C@H](C#N)C(=O)[C@H]1CC(=O)N(CC(C)C)C1 729070326 UHAYDFVHTYVQOU-NWDGAFQWSA-N 309.366 -0.038 30 20 DBED NC(=O)CNC(=S)NN=C1CCN(c2cnccn2)CC1 731930419 YFJCYOOPQVTXDU-UHFFFAOYSA-N 307.383 -0.618 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)CN(C)C(=O)C1CC1 733515185 WPVORCXZIHBXPW-VIFPVBQESA-N 311.338 -0.202 30 20 DBED N#Cc1ccc([C@@H](C(=O)O)N2CCN(S(N)(=O)=O)CC2)cc1 739104423 GBXBFEAOEKSIFK-LBPRGKRZSA-N 324.362 -0.495 30 20 DBED C#C[C@H](C)OC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 744181393 OSHJPSWIOYGZFZ-VIFPVBQESA-N 304.306 -0.611 30 20 DBED CS(=O)(=O)NCCNC(=O)Cc1cccc(OCC#N)c1 760313577 FQKQNXWIPOAWSA-UHFFFAOYSA-N 311.363 -0.203 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2csc(NC)n2)CC1 762236963 ATLJSQQQUVVLAY-UHFFFAOYSA-N 321.406 -0.308 30 20 DBED C#CCNC(=O)[C@@H](C)OC(=O)c1cc(C)ccc1S(N)(=O)=O 767707051 IYRGSEWDAFQOFG-SNVBAGLBSA-N 324.358 -0.063 30 20 DBED CCNS(=O)(=O)c1ccc(F)c(C(=O)NCC#CCO)c1 773551553 TXMAKQZQTIDCMQ-UHFFFAOYSA-N 314.338 -0.151 30 20 DBED C#CCC[C@H](O)CNC(=O)c1cnc2nc(O)nc(O)c2c1 799070827 UVVKICCAWPKEFM-VIFPVBQESA-N 302.290 -0.060 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCC[C@H]([C@H](C)O)C1)[C@@H]1CCCO1 809305803 JUWWYRZYUVUIBH-XUXIUFHCSA-N 308.378 -0.097 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NOCCOC(C)C)C1=O 812803906 ATZNZPRZPLVTPI-UHFFFAOYSA-N 313.310 -0.564 30 20 DBED C=CCNC(=O)[C@H](C)OC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1 815264633 WHRWNFDTDOCFRW-VHSXEESVSA-N 319.383 -0.864 30 20 DBED N#Cc1cc(-c2nn[nH]n2)c(N)nc1SCc1nc(O)n[nH]1 826383843 TULNGGDYMZALDR-UHFFFAOYSA-N 316.310 -0.168 30 20 DBED C=C[C@@H](C)ONC(=O)N1CCN(S(=O)(=O)N(C)C)CC1 845638628 JDJUBSHXGZTXLT-SNVBAGLBSA-N 306.388 -0.374 30 20 DBED C#C[C@H](NC(=O)C(=O)NCCC1CCNCC1)[C@@H]1CCCO1 846328418 HYXKJMCQKYUDFS-KBPBESRZSA-N 307.394 -0.211 30 20 DBED N#Cc1cccc(S(=O)(=O)NC(=O)[C@H]2CC[C@@H](C(=O)O)O2)c1 863953684 UULCNVSTSCYEMB-MNOVXSKESA-N 324.314 -0.005 30 20 DBED C#CCSCC(=O)OCC(=O)NC(=O)N[C@H](C)COC 885889482 DVGNURYMPHMILW-SECBINFHSA-N 302.352 -0.243 30 20 DBED C=CCN1CC[C@H](N(C)Cc2cn(CC(=O)OC)nn2)C1=O 899187270 BWXVKBRHUBKRNG-LBPRGKRZSA-N 307.354 -0.330 30 20 DBED C[C@@H](NS(=O)(=O)c1cncc(C#N)c1)[C@@H]1CN(C)CCN1C 919980931 GYBQMENQDNRUEJ-RISCZKNCSA-N 323.422 -0.134 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccn(C)n1 937144450 MDRJKFITKWRZHO-DRZSPHRISA-N 301.350 -0.066 30 20 DBED CO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1NC(=O)c1nn(C)cc1C 941744249 OAMBYLCXAQCWSA-YUSALJHKSA-N 319.365 -0.156 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2[C@H]3C[C@H]2N(C(=O)c2nc[nH]n2)C3)nc1 947673513 RLJWDLQROZOPLK-UHTWSYAYSA-N 322.328 -0.176 30 20 DBED C=CCN1CC[C@@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)C[C@H]1C 947776254 VFSDXVYGALNRAK-GHMZBOCLSA-N 322.365 -0.438 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)[C@@H]1CCNC1=O)CCO2 949154304 SXCYTQFFJKZXNO-CYBMUJFWSA-N 305.378 -0.551 30 20 DBED C#CCN1CCOC2(CCN(C(=O)[C@@H]3CCNC3=O)CC2)C1 949429678 BMWJHIIDJYYIIF-CYBMUJFWSA-N 305.378 -0.551 30 20 DBED CC#CCN1C[C@@H](O)[C@H](CNC(=O)c2cnn3ccncc23)C1 958145591 NRAABDQPQRTSRL-IUODEOHRSA-N 313.361 -0.225 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2ccn(CCOC)n2)C1 958254422 PCFSEKABRJVLQT-TZMCWYRMSA-N 306.366 -0.815 30 20 DBED C#CCN1C[C@H](CNC(=O)c2ccc(N(C)C)nn2)[C@@H](O)C1 958599574 REQYVTORIGUUPY-AAEUAGOBSA-N 303.366 -0.802 30 20 DBED N#CCN1C[C@H]2[C@H](NC(=O)[C@H]3CC(=O)N(c4cn[nH]c4)C3)[C@H]2C1 959877215 ROWBPYJLHPTPFS-PQFRYHKHSA-N 314.349 -0.667 30 20 DBED C#CCCN1C[C@H]2[C@H](NC(=O)[C@@H](C)N3C(=O)CCC3=O)[C@H]2C1 960169267 VBMDJJKPAPEXDK-FJJYHAOUSA-N 303.362 -0.406 30 20 DBED Cn1cnc2nc(O)cc(C(=O)NC3[C@H]4CN(CC#N)C[C@H]34)c21 960231237 BMRNZYAZPBKAKK-UWVGGRQHSA-N 312.333 -0.143 30 20 DBED N#Cc1cc(CN2C[C@@H]3C(NC(=O)C(N)=O)[C@H]3C2)ccc1F 961640215 OLSQPKYFLMUFDV-QWRGUYRKSA-N 302.309 -0.271 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1[C@@H]2CN(Cc3ncnn3C)C[C@@H]21 961815903 OUVUYWRXUOVMTE-BIGJJFBESA-N 317.393 -0.047 30 20 DBED C=CCCn1cc(C(=O)N[C@H]2[C@@H]3CN(C[C@@H](C)O)C[C@@H]32)nn1 962000172 JGOYMDHGSSEMSI-NMKXLXIOSA-N 305.382 -0.105 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)c1cnn(C)c1N 964154843 GNRNTRLZSFGTIX-VHSXEESVSA-N 320.353 -0.881 30 20 DBED C=CCn1cccc1C(=O)N1C[C@@H](C)[C@@H](NC(=O)C(N)=O)C1 966520299 IFFNJRREXRSFDA-MNOVXSKESA-N 304.350 -0.264 30 20 DBED CCN(C(=O)c1cc(C#N)c[nH]1)C1CN(C(=O)c2nc[nH]n2)C1 967862688 QTIKQFIBTWPQSM-UHFFFAOYSA-N 313.321 -0.009 30 20 DBED CCc1nocc1C(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 970362333 RBJCPRWWTJCDDS-KGLIPLIRSA-N 317.345 -0.048 30 20 DBED C#CCCN1CCO[C@@]2(CCN(C(=O)[C@H]3CN(C)CCO3)C2)C1 972316332 LOTJQUJQLKEWEL-WBVHZDCISA-N 321.421 -0.356 30 20 DBED Cn1ccc(C(=O)N2CC[C@@]3(CN(CC#N)CCO3)C2)cc1=O 972439112 VINIDMUCFGWQLG-MRXNPFEDSA-N 316.361 -0.174 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2cn[nH]c2)C1 973057873 UUGGAARDBKJUEJ-IHRRRGAJSA-N 315.377 -0.116 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H](CNC(=O)c2ncn(C)n2)C1 975266415 RPGNWKQZMYDJAN-QWRGUYRKSA-N 304.354 -0.057 30 20 DBED CC#CCN1CCCC2(C1)CN(C(=O)C[C@@H]1NC(=O)NC1=O)C2 981818832 DYQKJIBCARCUSO-LBPRGKRZSA-N 318.377 -0.468 30 20 DBED C[C@H]1[C@@H](NCC#N)CCN1C(=O)CCc1nnc(O)nc1O 986461126 JBYMQQOTASTWBC-IUCAKERBSA-N 306.326 -0.682 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CN(C)C(=O)[C@@H]2CNC(=O)N2)CC1 988626183 WCAYGMYKFLFLFS-PWSUYJOCSA-N 321.381 -0.476 30 20 DBED CSCC(=O)N1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)[C@H](O)C1 991400618 JHZCKNUKEBYOQJ-NWDGAFQWSA-N 322.390 -0.059 30 20 DBED CN1CCN(CC(=O)N[C@@]23CCC[C@@H]2N(CC#N)CC3)CC1=O 991473388 OFDZSKAQRJLQPB-XJKSGUPXSA-N 319.409 -0.603 30 20 DBED C[C@@H]1[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)CCCN1CC#N 993411456 ICAIYZLEWKTZTO-VXGBXAGGSA-N 319.365 -0.960 30 20 DBED C[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1CNC(=O)c1ncn(C)n1 993966282 HMNBFLNLJSJLRA-GMTAPVOTSA-N 304.354 -0.201 30 20 DBED CN(C(=O)[C@@H]1CN2CC3CC2(CO1)C3)C1CC(NCC#N)C1 999145132 IUDAGGCHBMYYMH-IXUJDMMCSA-N 304.394 -0.048 30 20 DBED C=CCn1cc(C(=O)NC2CCN([C@H](C)C(N)=O)CC2)nn1 1003754364 ANYQUKYTXCAQQL-SNVBAGLBSA-N 306.370 -0.468 30 20 DBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H](C)C1CN(C(=O)C(N)=O)C1 1006158391 VJYKARZZQUHDHI-WXHSDQCUSA-N 323.393 -0.194 30 20 DBED C[C@@H]1C[C@H](CNC(=O)c2c[nH]c(C#N)c2)CN1C(=O)C(N)=O 1010286182 VBOQDXLGGACRAE-RKDXNWHRSA-N 303.322 -0.662 30 20 DBED C[C@@H](c1nnnn1C)N1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 1010692654 WKYNHIBXJZWHBD-ONGXEEELSA-N 314.353 -0.025 30 20 DBED Cn1nc(C(=O)N2CCN(C(=O)C#CC3CC3)CC2)ccc1=O 1011109885 DEPAVQHAYIDJOZ-UHFFFAOYSA-N 314.345 -0.522 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C(=O)c2cc3n(n2)CCO3)CC1 1011282353 JLJHKLFZXVJHHS-JTQLQIEISA-N 303.322 -0.280 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H]2C(NC(=O)[C@H]3COC(=O)N3)[C@@H]2C1 1013026408 NFVBHSCSWBYUIU-OPRDCNLKSA-N 307.350 -0.120 30 20 DBED N#CCN1CCC2(CC1)C[C@H]2NC(=O)CN1CCC(=O)NC1=O 1016919872 OXBPMBFWZLWALJ-LLVKDONJSA-N 319.365 -0.577 30 20 DBED C=C(Cl)CN[C@H]1C[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 1020249923 IJTNUWHGIMRECW-CIUDSAMLSA-N 300.746 -0.426 30 20 DBED C[C@H]1[C@@H](NC(=O)CN2CCOCC2)CCN1C(=O)[C@H](C)C#N 1020535911 UTZWAOYXDZAUHG-AGIUHOORSA-N 308.382 -0.416 30 20 DBED C=CCN1CCC[C@@H](CNC(=O)c2cn(C)c(=O)n(C)c2=O)C1 1023624888 IILKVNZLWVILCO-LBPRGKRZSA-N 320.393 -0.288 30 20 DBED N#CCN1CCCC[C@@H]1CNC(=O)C1CC2(C1)NC(=O)NC2=O 1024701895 WBRFSOHPOWXJRO-LOIXOFCESA-N 319.365 -0.531 30 20 DBED O=C(N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O)c1cc(F)c[nH]1 1024720081 RIIMIWBCDQABCZ-CHWSQXEVSA-N 305.309 -0.131 30 20 DBED CCc1nc[nH]c1C(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1025080990 UURDCWHRWWPYRI-CHWSQXEVSA-N 316.361 -0.313 30 20 DBED Cn1nnc(CNC[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)n1 1026759397 GSFPBZVNMXQBKB-JTQLQIEISA-N 314.353 -0.338 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)c3cnnc(O)c3)C2)C1=O 1030484922 DBMCYSWOCJXOOU-LBPRGKRZSA-N 317.349 -0.617 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)Cc3[nH]cnc3C)C2)C1=O 1031314377 RTJBSGKEZLXMBC-CQSZACIVSA-N 317.393 -0.152 30 20 DBED CC#CCN1CC(CNC(=O)c2cn(C[C@@H]3CCOC3)nn2)C1 1032082634 GCEAEZOTHPZBOP-ZDUSSCGKSA-N 317.393 -0.001 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CC(=O)NC 1032677403 JNJODYNQJSQHRM-ABHRYQDASA-N 307.394 -0.001 30 20 DBED CC#CCN1CC[C@@H](N(C)C(=O)[C@@H]2COCCN2C(C)=O)C1 1033677327 ZZGRUISJWZCYQV-CABCVRRESA-N 307.394 -0.210 30 20 DBED C#CCCN1CCO[C@@H](CNC(=O)[C@H]2CCCN(C(N)=O)C2)C1 1035434312 DYLWHYAFBHBGLY-KBPBESRZSA-N 322.409 -0.383 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)Cn3nc(C)n(C)c3=O)CC[C@H]21 1036882186 HXRYQBNNMZFRBI-ZIAGYGMSSA-N 317.393 -0.554 30 20 DBED CC[C@H]1CN(C(=O)CN2CCC(=O)NC2=O)CC[C@H]1NCC#N 1037949977 XFUYQUDIYJETGC-NWDGAFQWSA-N 321.381 -0.331 30 20 DBED N#Cc1ccc(C(=O)NC[C@H]2CCN2[C@H]2CCCNC2=O)[nH]1 1038172273 GHIKHKOIIDVKTG-YPMHNXCESA-N 301.350 -0.031 30 20 DBED C#CCCN1CC[C@H]1CNC(=O)c1coc(S(N)(=O)=O)c1 1038415579 FMNKUWTVIXKJPG-NSHDSACASA-N 311.363 -0.246 30 20 DBED Cn1cc(C(=O)N[C@@H]2CN(c3cnc(C#N)cn3)C[C@H]2O)cn1 1040938535 IAZFQHWBCVJCKO-VXGBXAGGSA-N 313.321 -0.939 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)CN3CCCC3)C2)nn1 1041053407 WIGFUWCWTURBLW-CHWSQXEVSA-N 316.365 -0.890 30 20 DBED C#CCN1CC[C@@]2(CCN(C(=O)CC3CS(=O)(=O)C3)C2)C1 1041420830 FCXVCGIELHJWIX-OAHLLOKOSA-N 310.419 -0.021 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(O)(CNC(=O)COCCC)C1 1041862514 XFPBLRRKNZGZCP-CQSZACIVSA-N 314.382 -0.570 30 20 DBED CC(F)(F)C(=O)N1CC(O)(CNC(=O)c2c[nH]c(C#N)c2)C1 1042667152 YFGAPLNECKHTLH-UHFFFAOYSA-N 312.276 -0.155 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)CC(=O)NCC)C1 1042681948 ASGNTUGQYYBFAR-UHFFFAOYSA-N 311.382 -0.586 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(O)CN(C(=O)Cc2ccc[nH]2)C1 1042810310 BLHVGGYFZUYFIK-OAHLLOKOSA-N 321.377 -0.426 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](Nc2nccn3nnnc23)[C@H](C)C1 1043099099 LTZBEHLFDKDXHA-IVZWLZJFSA-N 300.326 -0.062 30 20 DBED C=C(C)CCC(=O)NCC1(O)CN(C(=O)[C@H]2C[C@H]2C(=O)OC)C1 1043310974 IHYXBPZTLXGIQN-NWDGAFQWSA-N 324.377 -0.159 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCC(=O)NC2)C1 1043796529 XRMNYGQZBRSROJ-GFCCVEGCSA-N 321.377 -0.994 30 20 DBED N#Cc1cnc(N2C[C@H](O)[C@H](NC(=O)c3ccccn3)C2)cn1 1043823720 OQLQRRQXGFINOW-OLZOCXBDSA-N 310.317 -0.277 30 20 DBED Cc1cc(C(=O)N[C@@H]2CN(c3ccc(C#N)nn3)C[C@@H]2O)no1 1043825612 JMYBSGMOJZNLPV-NEPJUHHUSA-N 314.305 -0.376 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)[C@@H]3CCOC3)C2)nn1 1043868131 UCNXITFPTYPTEH-JLLWLGSASA-N 303.322 -0.950 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)CCCC(=O)N(C)C)C1 1045547388 ZHFKOLNAQKCAEA-LLVKDONJSA-N 324.381 -0.906 30 20 DBED N#CCN1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCC(=O)N2)C1 1046923827 XPCBKTZFJDQOOU-NXEZZACHSA-N 300.309 -0.138 30 20 DBED C=CCN1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 1046968513 IHJYIWGSOXMHRO-UWVGGRQHSA-N 302.325 -0.073 30 20 DBED CC(C)c1cc(C(=O)NCC2(O)CN(C(=O)[C@@H](C)C#N)C2)n[nH]1 1047074751 UEVDKTQXOBPRCP-JTQLQIEISA-N 319.365 -0.004 30 20 DBED Cn1cnc(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)N(CC#N)C3)cc1=O 1047087626 CESACKZERUGESO-SRVKXCTJSA-N 301.350 -0.113 30 20 DBED N#CCN1C[C@H]2C[C@H](NC(=O)CN3CCCNC3=O)C[C@H]1C2 1047101956 JYWZXSMTVDAHOI-RWMBFGLXSA-N 305.382 -0.106 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cnccn2)C1 1048090285 IZXRXWAWFXLISL-KBPBESRZSA-N 316.361 -0.076 30 20 DBED CC#CCN1C[C@H]2CN(C(=O)CC3CS(=O)(=O)C3)C[C@H]2C1 1048902428 CCYDCMCYHMGSFK-OKILXGFUSA-N 310.419 -0.165 30 20 DBED C=CCOCC(=O)N1CC[C@H]([C@@H](C)NC(=O)c2cnn(C)n2)C1 1050298153 SACWAKAFGNQXPL-NEPJUHHUSA-N 321.381 -0.016 30 20 DBED CC(C)n1nnnc1CNC[C@H]1CN(C(=O)[C@H](C)C#N)CCO1 1051495120 QYNVHKADYGEJCW-NEPJUHHUSA-N 321.385 -0.269 30 20 DBED N#Cc1cnc(NC2CC(CNC(=O)[C@H]3CCNC3=O)C2)cn1 1052047306 VJZWMBJWNXFVOF-CBINBANVSA-N 314.349 -0.209 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)Cn2nccn2)C[C@@H]1C 1052682950 FKVIDXIEGIUQOS-STQMWFEESA-N 321.381 -0.309 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC2(CN(Cc3cnnn3C)C2)C1 1053190993 IWOVSRFLCFCHNV-NSHDSACASA-N 304.354 -0.612 30 20 DBED N#CCN1CC2(C1)CN(C(=O)[C@H]1CCCc3nn[nH]c31)CCO2 1053395303 XDZJLQLPWZSBPY-NSHDSACASA-N 316.365 -0.339 30 20 DBED C#CCN1CC2(CC[C@H](CNC(=O)[C@@H]3CCCN3C(N)=O)O2)C1 1053704920 RTKHYXIJTWZYRO-OLZOCXBDSA-N 320.393 -0.488 30 20 DBED C=CCO[C@H](C)C(=O)NC[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(N)=O 1053840984 XJFTWCQPWCYXHS-FVCCEPFGSA-N 323.393 -0.051 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)CC3CS(=O)(=O)C3)CO2)C1 1053850751 DRPQJMOCTSUJMR-LBPRGKRZSA-N 312.391 -0.986 30 20 DBED C[C@@]1(C(=O)N2CCN(c3cnc(C#N)cn3)CC2)CNC(=O)C1 1055963081 RRPKZNKAJDAXEN-HNNXBMFYSA-N 314.349 -0.477 30 20 DBED Cc1cc(C#N)nc(N2C[C@H]3C(NC(=O)c4cnn(C)n4)[C@@H]3C2)n1 1056254585 DHUSYBBFUJVOMU-GHMZBOCLSA-N 324.348 -0.350 30 20 DBED CN1CCOC[C@H]1C(=O)N1CC[C@@H](Nc2cncc(C#N)n2)C1 1056609256 SIWQSJWINUKYDF-YPMHNXCESA-N 316.365 -0.308 30 20 DBED CN1C[C@@H](C(=O)N2CC[C@@H](Nc3ccc(C#N)nc3)C2)NC1=O 1056745074 OSMTWTVLAFPOHR-OLZOCXBDSA-N 314.349 -0.010 30 20 DBED N#Cc1ccc(N[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)C2)nn1 1056764430 VKRYPZWWHLMZKJ-ZJUUUORDSA-N 301.310 -0.958 30 20 DBED C#Cc1cncc(C(=O)NCCN(CCO)C(=O)CSC)c1 1056901403 IBNOSXGNIHZKCQ-UHFFFAOYSA-N 321.402 -0.023 30 20 DBED N#CCSCC(=O)N(CCO)CCNC(=O)[C@H]1CC1(F)F 1057027061 XHVLRERHYBBGTF-SECBINFHSA-N 321.349 -0.165 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@@H](C)OC 1057111731 UZOSFRDVVIWUKR-UPJWGTAASA-N 314.382 -0.451 30 20 DBED C=CCCO[C@@H](C)C(=O)NCCN(CCO)C(=O)[C@@H](C)OC 1057112952 UTAPRKHBRUSVKI-QWHCGFSZSA-N 316.398 -0.060 30 20 DBED N#Cc1c[nH]c(C(=O)NCCN(CCO)C(=O)c2cocn2)c1 1057198020 LKTNXCZNDHSZAQ-UHFFFAOYSA-N 317.305 -0.261 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)c1ccn(C)n1 1057198127 POJUNHHJOXYOJZ-UHFFFAOYSA-N 310.354 -0.827 30 20 DBED C#CCCCCC(=O)N(CCO)CCNC(=O)c1nc[nH]n1 1057388350 NUOPNAJNXNQULE-UHFFFAOYSA-N 307.354 -0.451 30 20 DBED C#CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)c1c[nH]cc1C 1057633878 UIKCGYYQUPYMMM-ZDUSSCGKSA-N 321.377 -0.088 30 20 DBED C=CCCOCC(=O)N(CCO)CCNC(=O)[C@H]1CCCO1 1057919276 UJHLDFLFMRAEPQ-CYBMUJFWSA-N 314.382 -0.305 30 20 DBED N#Cc1ccc(N2CC[C@@H](NC(=O)[C@H]3CCC(=O)N3)C2)nn1 1058312963 BFYTXWUSACYPIR-GHMZBOCLSA-N 300.322 -0.678 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)c1ccn(C)c(=O)c1 1058662847 AALLZVGYZCMBIS-NSHDSACASA-N 320.349 -0.904 30 20 DBED C[C@@H]1CCCN1CC(=O)N(CCO)CCNC(=O)C#CC1CC1 1058843412 ATNZWRPTGHQCOF-CQSZACIVSA-N 321.421 -0.179 30 20 DBED C[C@H]1CCN(CC(=O)N(CCO)CCNC(=O)C#CC2CC2)C1 1058845585 RHADAZHVLAYMMX-AWEZNQCLSA-N 321.421 -0.321 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC[C@H]1CCN(C(=O)CC(N)=O)C1 1059379240 NMMANOUPOGPVDX-XHDPSFHLSA-N 311.382 -0.456 30 20 DBED C[C@]1(C(=O)N[C@H]2C[C@H](N=c3cc[nH]cc3C#N)C2)CCNC1=O 1059410265 VMRONYCJZLBRPH-MKBNYLNASA-N 313.361 -0.040 30 20 DBED N#Cc1nc(=N[C@H]2C[C@@H](NC(=O)[C@@H]3CCCNC3=O)C2)cc[nH]1 1059740102 DZCSBNVJVNFQOP-OUAUKWLOSA-N 314.349 -0.645 30 20 DBED C=CCCOCC(=O)N1CCC2(CC1)CN(C(=O)CC(N)=O)C2 1060959426 LBQMMDJIRLNEQJ-UHFFFAOYSA-N 323.393 -0.095 30 20 DBED C#CCO[C@H](C)C(=O)N1CCOC[C@H]1CNC(=O)c1cc[nH]n1 1061331907 OTOHBAFKVNJBCG-VXGBXAGGSA-N 320.349 -0.595 30 20 DBED C=CCCC(=O)NC[C@@H]1COCCN1C(=O)C[C@H]1CCC(=O)N1 1061407480 QEGDSMIKAZCCHT-CHWSQXEVSA-N 323.393 -0.035 30 20 DBED C=C(Cl)C(C)(C)C(=O)NC[C@H]1COCCN1C(=O)C(N)=O 1061614906 DPWUPHOWRAKFPY-VIFPVBQESA-N 317.773 -0.406 30 20 DBED Cn1nnc(C(=O)NC[C@H]2CCN(c3ccnc(C#N)n3)C2)n1 1061705548 FNHGPPAQMXEVKJ-SECBINFHSA-N 313.325 -0.872 30 20 DBED N#CCSCC(=O)NC1(CNC(=O)C2(C(N)=O)CC2)CCC1 1064283821 OUCLCYIFFWCZPZ-UHFFFAOYSA-N 324.406 -0.336 30 20 DBED C[C@H]1C[C@H](N=c2cc[nH]c(C#N)n2)CCN1C(=O)CC(N)=O 1064747263 JRFUUZGGZNOZAC-VHSXEESVSA-N 302.338 -0.563 30 20 DBED C[C@@H]1C[C@@H](N=c2cc[nH]c(C#N)n2)CCN1C(=O)CC(N)=O 1064747266 JRFUUZGGZNOZAC-ZJUUUORDSA-N 302.338 -0.563 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H]1CN(C(=O)COCC=C)CCO1 1064972272 STSXEDIRKAROBX-KGLIPLIRSA-N 324.377 -0.429 30 20 DBED C[C@]1(NC(=O)[C@@H]2CNC(=O)N2)CCN(c2ccc(C#N)cn2)C1 1065327070 UCUMVPNTDSOXOC-NHYWBVRUSA-N 314.349 -0.280 30 20 DBED N#Cc1cnc(N2C[C@H]3CN(C(=O)C(N)=O)C[C@H]3C2)c(Cl)c1 1066057557 AEEAQGVYLLYWEV-AOOOYVTPSA-N 319.752 -0.013 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CN(C(=O)CC(=O)N(C)C)CCO2)C1 1068399053 OOFCCEZRXWWYNU-NSHDSACASA-N 322.365 -0.936 30 20 DBED N#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2cnns2)C1 1069900015 JREJHHOVKWCPPO-BDAKNGLRSA-N 304.339 -0.692 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CCCN(C(=O)[C@H]2CCC(=O)N2)C1 1070548155 DKIDQQAKEGKFRW-XHBSWPGZSA-N 323.393 -0.301 30 20 DBED CNC(=O)NCCC(=O)N1CCC[C@@H](NC(=O)[C@@H](C)C#N)C1 1070690451 SWECEYUAUYVDRM-WDEREUQCSA-N 309.370 -0.428 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)[C@H]4COCCN4C)C[C@@]3(C1)O2 1070789588 DEDDGYMOXNLXJH-KLZNWCGWSA-N 319.405 -0.748 30 20 DBED CCn1ncc(C(=O)N2C[C@@H]3C[C@@H]4CN(CC#N)C[C@]3(C2)O4)n1 1070796584 JJCZIOREAKEQFV-YWPYICTPSA-N 316.365 -0.263 30 20 DBED C[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@@]2(CCN(CC#N)C2)O1 1071221290 PDFZXDZZMUXGFU-RISCZKNCSA-N 304.354 -0.356 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](C)[C@@H](NC(=O)Cn2nccn2)C1 1072049728 VZJRCRWCOWSMIR-OLZOCXBDSA-N 303.366 -0.099 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1C 1072772933 MIERNMPVGSFBRU-CHWSQXEVSA-N 303.366 -0.099 30 20 DBED COCC(=O)NCC1(O)CCN(C(=O)CSCC#N)CC1 1074485687 GRRMHBGGUCJKIT-UHFFFAOYSA-N 315.395 -0.641 30 20 DBED C[C@H]1CCc2[nH]nc(C(=O)N[C@@H]3CN(CC#N)C[C@H]3O)c2C1 1077920768 YWWIHDGRSRGXDW-ZWKOPEQDSA-N 303.366 -0.167 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)c2ccc3nnn(C)c3c2)C1 1078088189 IBKZZGFKNMWWRK-UKRRQHHQSA-N 313.361 -0.234 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)c2ccc(C(N)=O)cn2)C1 1078267107 UJSMIJQRCVFOFP-ZIAGYGMSSA-N 318.377 -0.078 30 20 DBED N#CCSCC(=O)N1C[C@@H](O)[C@H](CNC(=O)C2CCC2)C1 1081133432 MRAZMFOZQBDZDA-VXGBXAGGSA-N 311.407 -0.021 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)CN(C)C(C)=O)C[C@@H]1O 1081441170 FIQBJHHPMYXUNF-KBPBESRZSA-N 323.393 -0.796 30 20 DBED C=C(C)CCC(=O)N1C[C@H](CNC(=O)c2cnn(C)n2)[C@@H](O)C1 1081599189 ZGERZTLPTNSAQD-AAEUAGOBSA-N 321.381 -0.280 30 20 DBED C=CC(C)(C)C(=O)NC[C@H]1CN(C(=O)c2ncn(C)n2)C[C@@H]1O 1081639760 CNIHRNOFPWDTLY-QWRGUYRKSA-N 321.381 -0.424 30 20 DBED C=CCN1CC[C@@H](N[C@@H]2CN(C(=O)c3cnn[nH]3)C[C@H]2C)C1=O 1082614264 ZVLOSXALRMYTBU-NQBHXWOUSA-N 318.381 -0.358 30 20 DBED C=CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cn(C)c(=O)n1C 1083286168 WDLTZIJJFUFSJV-WCQYABFASA-N 306.366 -0.565 30 20 DBED C=CCn1cc(C(=O)N2C[C@H]3CCN(CC(=O)NC)C[C@H]32)nn1 1084709242 SCRQGDJLWYYVNM-DGCLKSJQSA-N 318.381 -0.644 30 20 DBED C=CCN1C[C@@H](NC(=O)c2nnn(C)n2)CC2(CCOCC2)C1 1089951483 LECCNFAAHDOLGH-LBPRGKRZSA-N 320.397 -0.003 30 20 DBED Cc1cc(N2C[C@@H](O)[C@H](NC(=O)[C@H](C)C#N)C2)nc(CO)n1 1090391229 GBPGCXUHNRAKAQ-FBIMIBRVSA-N 305.338 -0.897 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1091118259 FOOKXPMCMZQBIJ-UTUOFQBUSA-N 317.349 -0.395 30 20 DBED C#CCNC(=O)CC(=O)NCCNc1nc(C)cc(OC)n1 1093558454 VWTGNQRVMPVLEY-UHFFFAOYSA-N 305.338 -0.539 30 20 DBED CC(=O)N1CCO[C@@H](C(=O)NCCNc2ccc(C#N)cn2)C1 1093798829 CYIKKMZYCVKDPH-CYBMUJFWSA-N 317.349 -0.271 30 20 DBED Cc1cc(C#N)nc(NCCNC(=O)[C@]2(C)CNC(=O)C2)n1 1094005576 PQEWFVAOZVZCRF-AWEZNQCLSA-N 302.338 -0.289 30 20 DBED C[C@]1(C(=O)NCCNc2cncc(C#N)n2)CCC(=O)NC1 1094059625 NZNLYLKJIYCZRK-AWEZNQCLSA-N 302.338 -0.207 30 20 DBED CCc1nc(C#N)cc(NCCNC(=O)[C@@H]2CNC(=O)N2)n1 1094104452 MRXCPCGODJOICW-VIFPVBQESA-N 303.326 -0.880 30 20 DBED Cc1conc1C(=O)NCc1cn(C2CN(CC#N)C2)nn1 1094334415 SLIRFFNARNCOIO-UHFFFAOYSA-N 301.310 -0.115 30 20 DBED N#CCN1CCN(C(=O)C#CC2CC2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094632549 MCFITLMRJCYJMS-QWHCGFSZSA-N 307.375 -0.767 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)c3ccc(O)nc3)CC2=O)C1 1094813593 NLULYDNTIPJSDY-GFCCVEGCSA-N 314.345 -0.565 30 20 DBED CC(=O)N(C)CC(=O)N1CC[C@@H](Nc2cncc(C#N)n2)C1 1095020592 XIXKTOJXVFEAQN-LLVKDONJSA-N 302.338 -0.161 30 20 DBED CC(=O)N(C)CC(=O)N1CCC[C@H](N=c2cc[nH]c(C#N)n2)C1 1095287159 OMDOSTAGLGWQOC-LBPRGKRZSA-N 316.365 -0.349 30 20 DBED CNC(=O)CC(=O)N1CCC[C@@H](N=c2cc[nH]c(C#N)n2)C1 1095288390 DZMJVJZFKRGHOY-SNVBAGLBSA-N 302.338 -0.691 30 20 DBED CN(C(=O)CC(N)=O)C1CCN(c2ccc(C#N)nn2)CC1 1096099350 HHWXCBGVYMJKET-UHFFFAOYSA-N 302.338 -0.349 30 20 DBED Cc1cc(C#N)nc(N[C@@H](C)CNC(=O)[C@H]2CN(C)CCO2)n1 1097768129 GRYINTMDPHRGSD-WCQYABFASA-N 318.381 -0.096 30 20 DBED C[C@H](CNC(=O)C[C@H]1CC(=O)NC1=O)Nc1nccnc1C#N 1097944326 VWWPHQTUPHAMPM-BDAKNGLRSA-N 316.321 -0.682 30 20 DBED C=CCN(CCO)C1CCN(C(=O)c2c[nH]c(=O)cn2)CC1 1098462544 ZUWPFEQRNMBZOC-UHFFFAOYSA-N 306.366 -0.145 30 20 DBED C=CCCNCc1cn([C@@H]2CCN(C(=O)CNC(C)=O)C2)nn1 1098601055 KYOQFRDMCHTQEW-CQSZACIVSA-N 320.397 -0.147 30 20 DBED CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)c2nnc(O)nc2O)C1 1098923615 WDPMUHNUWHOFND-BONVTDFDSA-N 317.349 -0.110 30 20 DBED C[C@H](CCNC(=O)[C@H]1CCNC(=O)C1)N=c1cc[nH]c(C#N)n1 1098958475 JWRGFGDBGLYEIT-MNOVXSKESA-N 316.365 -0.397 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)CCC2CC2)[C@@H](O)C1 1099751406 AGYIXTSHCWYKSG-KGLIPLIRSA-N 307.394 -0.523 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CCN(CC(=O)NCC2CC2)C[C@@H]1O 1099823332 BUEMDIRGGHCSBZ-CABCVRRESA-N 319.405 -0.523 30 20 DBED CN(CCC(=O)N[C@H]1CCN(CC#N)C[C@@H]1O)c1ccncc1 1099899014 LLBVSCOHJTURCA-GJZGRUSLSA-N 317.393 -0.017 30 20 DBED C#CCCN1CC[C@H](NC(=O)CCCS(C)(=O)=O)[C@H](O)C1 1100031386 DRXBVDUMRRWKSA-QWHCGFSZSA-N 316.423 -0.614 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)c2oncc2C)[C@@H](O)C1 1100062115 OBJDMJSUGVVULS-RYUDHWBXSA-N 322.365 -0.550 30 20 DBED CN(CCNC(=O)CN1C(=O)CCC1=O)c1ccc(C#N)nn1 1100107136 WFLSZQWJSNBKTO-UHFFFAOYSA-N 316.321 -0.950 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1CC(NCCS(C)(=O)=O)C1 1100322504 KRACWDZMTRRFRJ-HIFPTAJRSA-N 316.423 -0.446 30 20 DBED C#CCNC1CC(CNC(=O)CCCn2c(O)nnc2O)C1 1100463630 NZSCBCQWMIXSHB-UHFFFAOYSA-N 307.354 -0.413 30 20 DBED CCN(CCNC(=O)CCn1cnnn1)c1ccncc1C#N 1100600131 BFLWXCMIFHLLJY-UHFFFAOYSA-N 314.353 -0.027 30 20 DBED CC#CCNC1CC(CNC(=O)Cn2nc(C)n(C)c2=O)C1 1100934630 UAUMPCOPISLPKY-UHFFFAOYSA-N 305.382 -0.602 30 20 DBED N#Cc1cnccc1N(CCNC(=O)[C@@H]1CNC(=O)N1)C1CC1 1101433000 VSNICTXQABSMOZ-LBPRGKRZSA-N 314.349 -0.280 30 20 DBED C=CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)Cc2cc[nH]n2)C1 1101836885 WRATVRWVDSUFJL-CHWSQXEVSA-N 319.409 -0.062 30 20 DBED CN(CCN=c1cc[nH]cc1C#N)C(=O)[C@@H]1CC[C@@H]1C(N)=O 1101892768 HHUTWLBDUUPRJY-NWDGAFQWSA-N 301.350 -0.243 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](CN(C)c2ncccn2)C1 1102439498 FVBOHYLGEIKDAJ-CYBMUJFWSA-N 315.377 -0.099 30 20 DBED CC[C@@H](CNC(=O)Cn1cnnn1)Nc1ccc(C#N)cn1 1102968688 JYYOVXBCQHIXMH-NSHDSACASA-N 300.326 -0.053 30 20 DBED C[C@@H](CNC(=O)[C@H]1COCCO1)CNc1nccnc1C#N 1103877820 HNXKJOWPQZFBPR-ZYHUDNBSSA-N 305.338 -0.072 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)[C@H]1CCN(C)C1 1103973674 JPDXZSACHHFNAG-RYUDHWBXSA-N 302.382 -0.114 30 20 DBED CNC(=O)NCC(=O)N(C)[C@@H](C)CNc1nccnc1C#N 1104856470 SPEGAMKZIWMMBE-VIFPVBQESA-N 305.342 -0.464 30 20 DBED N#Cc1cncc(NC[C@H](O)CNC(=O)C[C@H]2CCCO2)n1 1105718759 QASHASQWPWDTIV-NWDGAFQWSA-N 305.338 -0.194 30 20 DBED Cc1cc(C(=O)NC[C@@H](O)CNc2nccnc2C#N)n(C)n1 1105733141 JVNQDLXNHBEOGT-JTQLQIEISA-N 315.337 -0.407 30 20 DBED CC(=O)N1CC(C(=O)NC[C@@H](O)CNc2ncccc2C#N)C1 1105795619 FJAMGIMVINAPGM-ZDUSSCGKSA-N 317.349 -0.679 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H](O)CNc1cc(C)nc(OC)n1 1105970460 IALSVBPKYOCLKE-RYUDHWBXSA-N 322.365 -0.279 30 20 DBED CC#CCCCC(=O)NC[C@H](O)CNc1ccc2nnnn2n1 1106062444 IMFLWJWHMTWYIU-LLVKDONJSA-N 317.353 -0.398 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@@H](C)[C@H](CNCc2nnn(C)n2)C1 1106111259 KJQBVJSDBTXDAT-FRRDWIJNSA-N 320.397 -0.568 30 20 DBED C#CCOCCC(=O)N1C[C@@H](C)[C@H](CN[C@@H]2CCN(C)C2=O)C1 1106117204 KGKAUJCMCRCFCR-RBSFLKMASA-N 321.421 -0.059 30 20 DBED CN1C[C@@H](C(=O)NC[C@@H](O)CNc2ncccc2C#N)CC1=O 1106143850 KLPWWVJLLJVMNF-RYUDHWBXSA-N 317.349 -0.679 30 20 DBED Cc1nc(NC[C@@H](O)CNC(=O)c2cnn[nH]2)ccc1C#N 1106171733 HGZHSJRBDMYNBD-SNVBAGLBSA-N 301.310 -0.417 30 20 DBED C[C@@H](CCN=c1cc[nH]cc1C#N)NC(=O)[C@H]1COC(=O)N1 1106313146 IIEKFWKKQWGFMX-JOYOIKCWSA-N 303.322 -0.210 30 20 DBED C[C@@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)[C@@]1(C)CNC(=O)C1 1106511855 ATWURQUHQDEZIL-ZUZCIYMTSA-N 316.365 -0.397 30 20 DBED CN1CCO[C@@H](C(=O)NC/C=C/CNc2nccnc2C#N)C1 1107093456 GDVNDUORTNKELI-YWVDXFKGSA-N 316.365 -0.237 30 20 DBED N#CCN1CC(n2cc(CNC(=O)C[C@@H]3COC(=O)C3)nn2)C1 1107157577 VCVOZXHBDAOKJS-JTQLQIEISA-N 318.337 -0.772 30 20 DBED N#Cc1c[nH]ccc1=NC/C=C\CNC(=O)[C@H]1COC(=O)N1 1107174797 AYXRKQLKQMLEGO-UDSFMNFJSA-N 301.306 -0.432 30 20 DBED C[C@@]1(C(=O)NC/C=C/CNc2ccc(C#N)nn2)CNC(=O)C1 1107421439 FNVGQFLXJFOZGJ-FAAWYNLUSA-N 314.349 -0.041 30 20 DBED C[C@]1(CNC(=O)[C@@H]2CCCc3nn[nH]c32)CN(CC#N)CCO1 1108163603 MTLIPLUJAOWRRM-ABAIWWIYSA-N 318.381 -0.045 30 20 DBED CC(=O)N(C)CCCC(=O)NC[C@]1(C)CN(CC#N)CCO1 1108368698 BRHIHGXBGVIHOR-OAHLLOKOSA-N 310.398 -0.024 30 20 DBED CCOCC1(C(=O)N[C@@H]2CC(=O)N(C3CN(CC#N)C3)C2)CC1 1108553357 LCBDZAPBVUOHNK-GFCCVEGCSA-N 320.393 -0.272 30 20 DBED CCN(C)CCC(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1 1108584018 XQEOLXLANSNJGR-GFCCVEGCSA-N 307.398 -0.747 30 20 DBED C#CCOCCC(=O)N(C)CCCNc1ccc2nnnn2n1 1109524838 MQTXVQHNMZIKAV-UHFFFAOYSA-N 317.353 -0.180 30 20 DBED CNC(=O)NCC(=O)N(C)CCCNc1cncc(C#N)n1 1109656648 DOMUSSUOQBILMY-UHFFFAOYSA-N 305.342 -0.462 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)Cc3cc(C)on3)[C@H]2C1 1114058848 XJKXGDFZEXDJAB-STQMWFEESA-N 316.361 -0.679 30 20 DBED C=CCN(CC=C)C(=O)CN1C[C@H]2C(NC(=O)CC(N)=O)[C@@H]2C1 1114099018 PLINZIRWKOJZLU-VXGBXAGGSA-N 320.393 -0.891 30 20 DBED C=C[C@](C)(O)CC(=O)NC1[C@H]2CN(CCS(C)(=O)=O)C[C@H]12 1114194434 PQFATEHCIPCFRI-MJVIPROJSA-N 316.423 -0.596 30 20 DBED C=CCN1C[C@H]2[C@H](NC(=O)CN(C)CC(=O)NC(C)C)[C@H]2C1 1114521410 PGTIXDZZSSNVEV-VIKVFOODSA-N 308.426 -0.325 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)c3cc(OC)n(C)n3)[C@@H]2C1 1114543445 WGJWGYRSRMKONY-VXGBXAGGSA-N 318.377 -0.262 30 20 DBED C#Cc1ccc(C(=O)NC2[C@H]3CN(CC(=O)NCC)C[C@H]23)nc1 1115139928 NMDHLEPMHRMXJE-STQMWFEESA-N 312.373 -0.141 30 20 DBED C=C(C)COCCNC(=O)C(=O)N(C[C@H](C)O)[C@@H](C)CO 1117557492 CYCHIPWBSGYNOT-RYUDHWBXSA-N 302.371 -0.715 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)C(=O)N[C@H]2CCc3n[nH]cc3C2)C1 1118212113 YQVJWSPSQLEKJI-XHDPSFHLSA-N 317.349 -0.740 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)CCc2ncc[nH]2)nn1 1121496911 JXZKHIZJGJKMGH-NSHDSACASA-N 315.337 -0.407 30 20 DBED N#Cc1c(F)cccc1N[C@H](CO)CNC(=O)CCNC(N)=O 1121591726 VJPLKPPXVIRGHS-VIFPVBQESA-N 323.328 -0.355 30 20 DBED Cc1nccn1CC(=O)NC[C@@H](CO)Nc1cnc(C#N)cn1 1121599023 OXCUPAZJMFATEV-LBPRGKRZSA-N 315.337 -0.558 30 20 DBED COc1nc(C(=O)NC[C@H](CO)Nc2cnc(C#N)cn2)co1 1122286658 UYMDVJXKWKIEQQ-SECBINFHSA-N 318.293 -0.452 30 20 DBED Cc1cc(=NC[C@@H](O)CN(C)C(=O)[C@H]2CCOC2)c(C#N)c[nH]1 1124140230 IVYBMMDIBPZXSP-GXTWGEPZSA-N 318.377 -0.049 30 20 DBED Cc1nn[nH]c1C(=O)N(C)C[C@H](O)CNc1ccc(C#N)nc1 1124633344 HFONFJJQNNKLQO-GFCCVEGCSA-N 315.337 -0.075 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)[C@@H]1CC12CC2 1124793355 SJBOBMGFYSFOCA-MNOVXSKESA-N 301.350 -0.199 30 20 DBED CO[C@]1(c2nnc(CNCCNC(=O)[C@H](C)C#N)o2)CCOC1 1124895130 DIZGTWMRGNZYKC-QMTHXVAHSA-N 323.353 -0.303 30 20 DBED CN(CCOCCNc1ncccc1C#N)C(=O)CNC(N)=O 1127167756 IODZIHYYTNBNTI-UHFFFAOYSA-N 320.353 -0.492 30 20 DBED COCC#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H](C)OC)C1 1128780809 YAVMKDXKEVYGRW-MCIONIFRSA-N 321.381 -0.696 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)CCc2nc[nH]n2)C1 1128886073 GLDKPJGQOVOAAY-NEPJUHHUSA-N 314.353 -0.996 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)C[C@@H]2CCN(C)C2=O)C1=O 1130051487 PVPWZKBQMPQIIE-QWHCGFSZSA-N 322.409 -0.653 30 20 DBED C#CCN[C@@H]1CN(C(=O)COCCCOC)C[C@@H]1n1ccnn1 1130077323 CNNALBZCGKGVOQ-KGLIPLIRSA-N 321.381 -0.694 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1=O 1130182874 YMNHGZUGTILLQG-MGPQQGTHSA-N 324.425 -0.802 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)[C@H](C)OCCOC)C[C@@]3(C1)O2 1131274415 WDBCIMCXPLJROO-LJIGWXMPSA-N 322.405 -0.027 30 20 DBED C[C@@H]1CC[C@H](NC(=O)c2ccnn2C)CN1CC(=O)NCC#N 1131862194 SEJHMUMESVRLSR-NEPJUHHUSA-N 318.381 -0.357 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2cccnn2)CC[C@@H]1C 1132368133 JKNYOCOWUNDFFF-STQMWFEESA-N 315.377 -0.191 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1cnc2n1CCCC2 1132795573 VEDBHOJXCBJLDB-UHFFFAOYSA-N 304.354 -0.821 30 20 DBED N#CCNC(=O)CNCCNC(=O)[C@@H]1Cc2ccc(F)cc21 1132915650 CVLSGRJKEZPOPU-CYBMUJFWSA-N 304.325 -0.189 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)c1cnsn1 1133784105 FSYHHXDAHRQAMQ-VHSXEESVSA-N 309.395 -0.226 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)c1nccn2ccnc12 1134007474 BILJKFDEELCKIK-NSHDSACASA-N 316.365 -0.261 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)Cc1ccon1)C2 1147268029 QPCDSRXYIODTQW-UHFFFAOYSA-N 316.361 -0.499 30 20 DBED C=CCOCCCC(=O)NC[C@@H]1CN(CC(N)=O)CCCO1 1149480805 CMYMQBFHZVKODI-CYBMUJFWSA-N 313.398 -0.338 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(CC(=O)N2CCC2)CCCO1 1149687921 RVGQJIPTTCRZGX-OAHLLOKOSA-N 319.405 -0.161 30 20 DBED COCCC1(NC(=O)[C@@H]2CCNC2=O)CCN(CC#N)CC1 1151248469 NNTVNPZIWGONKQ-GFCCVEGCSA-N 308.382 -0.367 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)c1cnn(CC)n1 1153164310 HRSZILLXHJJRMG-GFCCVEGCSA-N 320.397 -0.512 30 20 DBED C#CCOCCC(=O)NC[C@@H](C)N(CC)Cc1nc(O)n[nH]1 1153302504 NOGDFUXMZONNEM-LLVKDONJSA-N 309.370 -0.123 30 20 DBED C=CCNC(=O)CNCCCNC(=O)CCOCCCOC 1170540826 YRYDXKLQLBNZAC-UHFFFAOYSA-N 315.414 -0.172 30 20 DBED COCC#CCN1CCO[C@@H]2CCN(C(=O)c3ncc[nH]3)C[C@H]21 1177000557 QZGAEDODUZKERS-ZIAGYGMSSA-N 318.377 -0.025 30 20 DBED C[C@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)c1cnn(C)c1 1178096377 HAZAVOGDTBDRKB-JQWIXIFHSA-N 304.354 -0.748 30 20 DBED C[C@H]1[C@@H](NCCN(C)S(C)(=O)=O)CCN1C(=O)[C@H](C)C#N 1178351700 WJYPCHCUCZXNQP-WOPDTQHZSA-N 316.427 -0.384 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](NCc2nncn2C)[C@@H]1C 1178508872 ZZNHLROOUAWDDX-RYUDHWBXSA-N 318.381 -0.966 30 20 DBED Cc1cc(OCC(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)no1 1183415237 ZDPDABHGYJLMQN-LLVKDONJSA-N 321.337 -0.808 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](N(C)CCNS(C)(=O)=O)C1 1189401523 YARMWJBSMQBKCB-MNOVXSKESA-N 302.400 -0.772 30 20 DBED CN(CC(=O)NCC#N)[C@@H]1CCN(C(=O)c2ccnc(O)c2)C1 1189621188 LYLNLIXSVKVDDV-GFCCVEGCSA-N 317.349 -0.427 30 20 DBED CCOCCCN1C[C@@H](O)[C@H](NC(=O)CSCC#N)C1 1191149158 GJGMCWSENILYSO-VXGBXAGGSA-N 301.412 -0.169 30 20 DBED N#CCSCC(=O)N[C@@H]1CN(CCn2cccn2)C[C@H]1O 1191156858 SBKQLCSQTUJZGN-VXGBXAGGSA-N 309.395 -0.699 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(Cc2ncc(C)o2)C[C@H]1O 1192524743 LCRRHHJHMJCLDP-LALPHHSUSA-N 309.366 -0.029 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@H]1CCN(C(=O)Cc2cnc[nH]2)C1 1192558304 BQGMKRFVRONGEN-OCCSQVGLSA-N 317.393 -0.377 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)[C@H](C2CC2)N(C)C)C1 1193791195 FLQUBNIRKXNFPY-KFWWJZLASA-N 311.426 -0.310 30 20 DBED CC(C)(CN1CCOCC1)C(=O)N[C@@H]1CN(CC#N)C[C@H]1O 1194077365 ZWSZPAKYJSNXON-CHWSQXEVSA-N 310.398 -0.970 30 20 DBED C=CCCCC(=O)N[C@@H]1CN(CCN2CCNC2=O)C[C@H]1O 1195732765 HSHXZGBCLYWIRS-CHWSQXEVSA-N 310.398 -0.471 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)CS(C)(=O)=O)C1 1199155957 WWXWFEARABBHLN-QJPTWQEYSA-N 304.412 -0.596 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)Cc2cc(C)[nH]n2)CC1 1200025504 QNNBXRGQYBWVFA-UHFFFAOYSA-N 317.393 -0.409 30 20 DBED C[C@H]1CC(=O)N[C@@H](C(=O)N2CCCO[C@@H](CNCC#N)C2)C1 1200528434 KVCOQOFYBRJIAB-FRRDWIJNSA-N 308.382 -0.368 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC(NCCn2cncn2)CC1 1200541238 LLZKZMOGKSAKRI-CYBMUJFWSA-N 305.382 -0.103 30 20 DBED Cn1cc(CCC(=O)N2CCCO[C@H](CNCC#N)C2)nn1 1202234713 HLCOZUXHOZTFPF-CYBMUJFWSA-N 306.370 -0.522 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)[C@@H]2C[C@@]23CCOC3)CC1 1203228054 CXPJCNYGTHGJCP-WMLDXEAASA-N 319.405 -0.257 30 20 DBED C[C@]1(C(=O)N2CCC(CNCC(=O)NCC#N)CC2)CCOC1 1206687586 BHNOEQJNZAYDPV-INIZCTEOSA-N 322.409 -0.119 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)C[C@H]1COC(=O)C1 1206870655 GQLKQQUQUQXBSJ-IJLUTSLNSA-N 322.365 -0.984 30 20 DBED CC#CCN1C[C@@H](NC(=O)[C@H](CCC(N)=O)NC(C)=O)[C@H](C)C1 1209530824 SQIZBLMIGUFLTH-KWCYVHTRSA-N 322.409 -0.784 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)Cn2ccc(C)n2)C1 1209688236 BSVKVGXZRJZUSD-CQSZACIVSA-N 317.393 -0.478 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@H]1CCCN(C(=O)CC(=O)N(C)C)C1 1210029720 REFKZXRQYFPLCP-OLZOCXBDSA-N 324.425 -0.264 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2ccon2)C[C@H]1C 1214222611 ICZVNAJUKYOTNJ-NQBHXWOUSA-N 304.350 -0.137 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C 1214861054 GTNXFBBBCXRRSM-UKRRQHHQSA-N 320.437 -0.343 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H]2CN(CC(=O)NC(C)(C)C)C[C@@H]21 1217527777 HADVJUBVAOQYQI-FRRDWIJNSA-N 322.409 -0.028 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)c2ccco2)C1 1219105136 RBFCMGRPFBNSJA-TUAOUCFPSA-N 307.350 -0.255 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)Cn2cncc2C)CC1 1228274222 RRJWRLHQYFDWLN-UHFFFAOYSA-N 317.393 -0.478 30 20 DBED Cc1ccc(S(C)(=O)=O)cc1C(=O)NCC(=O)NCC#N 1261116127 UOULSYQMQKTLFP-UHFFFAOYSA-N 309.347 -0.232 30 20 DBED C=C(C)COCCNC(=O)C(=O)N1C[C@H](CO)OC(C)(C)C1 1261407292 CGTCXJOLJNPMKA-GFCCVEGCSA-N 314.382 -0.306 30 20 DBED C#CCOCCNC(=O)C(=O)NC[C@H]1CCCN1CC(F)F 1261956243 SYTKFOQLTMCJDI-LLVKDONJSA-N 317.336 -0.402 30 20 DBED C=C(Cl)CNC(=O)C(=O)Nc1cnn(CC(=O)N(C)C)c1 1319240336 NLMCSHIYNUWEPH-UHFFFAOYSA-N 313.745 -0.222 30 20 DBED N#CCn1cc(NC(=O)C(=O)N2CCN3C(=O)CC[C@H]3C2)cn1 1319876554 WMXZVSSVVVGZQI-NSHDSACASA-N 316.321 -0.822 30 20 DBED C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)NCC1CCN(CC#N)CC1 1320179882 BMLVDZMQZJEICZ-FZMZJTMJSA-N 322.409 -0.386 30 20 DBED CN1C(=O)C(=O)N(CC(=O)OCc2ccc(C#N)cn2)C1=O 1321157655 POBPAUMOZYTRIU-UHFFFAOYSA-N 302.246 -0.583 30 20 DBED C=C(Br)CNC(=O)C(=O)NC1CN(C(=O)OC)C1 1323842690 OWBLZIDBPQTTFH-UHFFFAOYSA-N 320.143 -0.422 30 20 DBED C=CCn1cc(CNC(=O)C(=O)NCc2ccn(CC)n2)nn1 1326253346 UCCLULPCHWMMNY-UHFFFAOYSA-N 317.353 -0.387 30 20 DBED Cn1ncc2c1CCC[C@H]2NC(=O)C(=O)N1CCO[C@@H](C#N)C1 1327636921 RCCBTNCFIACUBK-CMPLNLGQSA-N 317.349 -0.335 30 20 DBED C=CCN(C(=O)C(=O)N1CC[C@@](F)(CO)C1)[C@@H](C)COC 1328282119 NZQJKOXWLHURCO-FZMZJTMJSA-N 302.346 -0.031 30 20 DBED CN(Cc1ncc[nH]1)C(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1329397246 PWASVNOHOOHIER-LBPRGKRZSA-N 316.365 -0.433 30 20 DBED CC#CC[C@@H](CO)NC(=O)CCc1nc(-c2nc[nH]n2)no1 1329563601 AHTDPNHAJSDVDE-VIFPVBQESA-N 304.310 -0.322 30 20 DBED CN(CCCCCO)C(=O)C(=O)N1CCN(CCC#N)CC1 1332041236 LHWWMVJXXMKVKY-UHFFFAOYSA-N 310.398 -0.335 30 20 DBED C#CCOCCn1nnnc1N1CC[C@@H](C)S(=O)(=O)CC1 1336019368 VPBNMNIAUBDSEQ-LLVKDONJSA-N 313.383 -0.664 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCO[C@@H](C(F)F)C1)[C@@H]1CCCO1 1336149843 JVHJCBNSTULSFA-GARJFASQSA-N 316.304 -0.224 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N[C@H]1CCCN(C(=O)OC)C1 1341146634 AFBYRZHINDFWTH-QWRGUYRKSA-N 313.354 -0.349 30 20 DBED C=CCOCCNC(=O)C(=O)N1CCN(C(=O)OCC)CC1 1346713698 KVJSQZOHKLWURG-UHFFFAOYSA-N 313.354 -0.394 30 20 DBED C#CCNC(=O)C1CCN(C(=O)[C@H]2CN3CCN2C[C@@H]3C)CC1 1346830369 BUFXONSCTRIHCU-DZGCQCFKSA-N 318.421 -0.637 30 20 DBED C=C(C)COCCNC(=O)C(=O)N1CCN(C(C)=O)C[C@H]1C 1347095770 VVYRYYJLJDJBHN-GFCCVEGCSA-N 311.382 -0.226 30 20 DBED N#Cc1ncn(CC(=O)N2CC[C@@H](CN3CCCC3=O)C2)n1 1362996186 FJJYMUYTPLKVJO-NSHDSACASA-N 302.338 -0.379 30 20 DBED Cc1c(Cl)cnc(N2C[C@@H](C(N)=O)[C@@H](C(N)=O)C2)c1C#N 1364229865 OWFHLEKYJCXLSM-DTORHVGOSA-N 307.741 -0.062 30 20 DBED COC(=O)[C@H]1C[C@@H](O)CN1S(=O)(=O)CC1(CC#N)CC1 1365727244 LXUVWSJFHHYDPI-NXEZZACHSA-N 302.352 -0.382 30 20 DBED CCN1C[C@@H](C(=O)N2CC(CNC(=O)[C@H](C)C#N)C2)CC1=O 1374901209 ZGKAOTJYYCCOHL-PWSUYJOCSA-N 306.366 -0.411 30 20 DBED Cc1nccn1CC(=O)NC[C@]1(O)CCN(C(=O)[C@@H](C)C#N)C1 1380144769 TWYFNZLEKBEFNX-XHDPSFHLSA-N 319.365 -0.569 30 20 DBED C[C@H](C#N)C(=O)N(C)C[C@@H]1CCN(C(=O)c2cnnn2C)C1 1387615118 SBYXZPHPUGCQMY-MNOVXSKESA-N 304.354 -0.105 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)COCc2ccnn2C)CC1 1389883723 MHBKUOPTIVIMMK-LLVKDONJSA-N 319.365 -0.139 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)c2ccoc2CC(N)=O)CC1 1400657679 WFUNQCZRVXBKDJ-VIFPVBQESA-N 318.333 -0.154 30 20 DBED C[C@H](CNC(=O)Cn1ncnn1)NCc1ccc(C#N)s1 1402875435 ARAADSXUDOWYAG-SECBINFHSA-N 305.367 -0.099 30 20 DBED COCCN(CCNC(=O)[C@@H](C)C#N)C(=O)c1nccnc1N 1405773506 RGQLUAVBSFHWMM-JTQLQIEISA-N 320.353 -0.577 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CCN(C(=O)CCc2cnn[nH]2)C1 1408414027 PTTWMIJLTQFVSH-WDEREUQCSA-N 304.354 -0.138 30 20 DBED COCc1nn(C)cc1C(=O)N1CC(CNC(=O)[C@H](C)C#N)C1 1409175922 MVCCFAXQFLQHKI-SNVBAGLBSA-N 319.365 -0.086 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)Cn1cc(C2CC2)cn1 1410143205 SEFBYVCQHMDTRX-ZWNOBZJWSA-N 319.365 -0.487 30 20 DBED Cn1c(=O)[nH]c(N(CCO)Cc2ccccc2)c(C#N)c1=O 1412871360 YDXWKLRUKSDRRM-UHFFFAOYSA-N 300.318 -0.056 30 20 DBED CCOC1CC(N(C)C(=O)Cn2cc(C#N)c(O)nc2=O)C1 1417885970 NQRRNAYJABOMSB-UHFFFAOYSA-N 306.322 -0.154 30 20 DBED C=C(Cl)CN[C@H](C)CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 1420147596 SPZMUKJJNSJVQF-BDAKNGLRSA-N 302.762 -0.179 30 20 DBED CO[C@H](C)CC(=O)NC[C@H](O)CNC(=O)c1cc(C#N)c[nH]1 1431488638 FGUJJAXTXFKFDH-KOLCDFICSA-N 308.338 -0.482 30 20 DBED Cc1nc(CC(=O)NC[C@@H]2CCCN2C(=O)[C@@H](C)C#N)n[nH]1 1431755588 IMGGXRQQQJVBSM-ONGXEEELSA-N 304.354 -0.078 30 20 DBED CC(C)(O)CC(=O)NC[C@@H](O)CNC(=O)c1cc(C#N)c[nH]1 1433273654 MPZNVRGWGHZQLK-SNVBAGLBSA-N 308.338 -0.746 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1n[nH]c2ccccc12 1433341701 WZEGVDMVPWVNRR-UWVGGRQHSA-N 315.333 -0.071 30 20 DBED N#Cc1cn(CC(=O)N2CCOC[C@@H]2C2CC2)c(=O)nc1O 1433881880 OPPLYPWPMSRBCN-LLVKDONJSA-N 304.306 -0.542 30 20 DBED C[C@@](O)(C(=O)NCCn1cc(C#N)c(O)nc1=O)C1CCC1 1434206989 JLHBKWTVKFJBRK-AWEZNQCLSA-N 306.322 -0.512 30 20 DBED CN(CCS(N)(=O)=O)C(=O)c1cc(C#N)cc(N(C)C)c1 1434348033 FAJGJVGUBVABKE-UHFFFAOYSA-N 310.379 -0.015 30 20 DBED CC(C)CNC(=O)[C@@H](C)N1CC(O)(CNC(=O)[C@H](C)C#N)C1 1440038356 KSQAYKQQEQFNOS-VXGBXAGGSA-N 310.398 -0.530 30 20 DBED C[C@@H](O)[C@@H]1CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)C1 1446736660 SCSNJNFWOCCNRY-NXEZZACHSA-N 306.322 -0.560 30 20 DBED C[C@H](CCS(C)(=O)=O)Nc1[nH]c(=O)n(C)c(=O)c1C#N 1458263924 HKUUYZVGRBIRHV-SSDOTTSWSA-N 300.340 -0.820 30 20 DBED COCC(=O)N(C)CC(=O)N1CC[C@H](CNC(=O)[C@@H](C)C#N)C1 1527189011 PUQOPKQTUZAQCP-NWDGAFQWSA-N 324.381 -0.784 30 20 DBED C[C@@H]1CN2CCN1C[C@H]2C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1548647065 ZUYXKTLXBYJJOQ-YUELXQCFSA-N 303.410 -0.427 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)CCN2CCCC2=O)C1 1567883327 RRGOBZUBHPBUSX-ZDUSSCGKSA-N 322.409 -0.508 30 20 DBED C[C@H](C(=O)NC1CCN(CC(=O)O)CC1)n1cnc(C#N)n1 1573365889 XYUGYFDFLIFAHK-SECBINFHSA-N 306.326 -0.624 30 20 DBED C[C@H]1[C@@H](C)N(c2cnc(-c3nn[nH]n3)c(C#N)n2)CC[S@@]1=O 1575869408 QULQRRCVOJJVDF-BORLJHCYSA-N 318.366 -0.126 30 20 DBED C=C(C)C[C@H](CO)Nc1c(-c2nn[nH]n2)c(=O)n(C)c(=O)n1C 1588404205 FKYKPQVJJNKLNP-MRVPVSSYSA-N 321.341 -0.997 30 20 DBED C#CC[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1c1ccncn1)C(=O)O 1588404826 AHVIWPFQMWVXKR-VWYCJHECSA-N 304.306 -0.991 30 20 DBED C=C[C@H](C(=O)O)N1CCC(N2CCS(=O)(=O)CC2)CC1 1588664638 YHUXTOJJCLJPRS-GFCCVEGCSA-N 302.396 -0.180 30 20 DBED C[C@H](CNc1cnc(-c2nn[nH]n2)c(C#N)n1)S(C)(=O)=O 1589879980 WEIMOVCNOBDWIC-ZCFIWIBFSA-N 308.327 -0.627 30 20 DBED C#CCN(C(=O)[C@@H]1C[C@H]1C(=O)O)C1CCN(C(=O)COC)CC1 1602711446 GWLDCCSLDUGWLP-CHWSQXEVSA-N 322.361 -0.194 30 20 DBED C#CCOc1cccc(NC(=O)C(=O)NCCOCC(=O)O)c1 1602734124 LFIIKOQCWKBGTB-UHFFFAOYSA-N 320.301 -0.146 30 20 DBED C#C[C@H](NS(=O)(=O)N1CCC(C(=O)O)CC1)[C@H]1CCCO1 1609057902 JCJKYOKDJXJGQD-NWDGAFQWSA-N 316.379 -0.202 30 20 DBED C#CC[C@@H](NC(=O)Cn1nc2n(c1=O)CCCCC2)C(=O)O 1609078936 PLJAOXJJWVPUBS-SNVBAGLBSA-N 306.322 -0.636 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](CC(=O)O)C2)CCO1 1611291225 LOUIPCZYLJVBCR-GHMZBOCLSA-N 309.322 -0.549 30 20 DBED C#CCNC(=O)CN[C@@H](C)CCNC(=O)CN1CC[C@H](C)C1 1674233443 KNUQBUKVTFZAHO-KBPBESRZSA-N 308.426 -0.438 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)C2(N(C)C)CCC2)C1 1714997851 FOZPMHVKSUAMQO-ZDUSSCGKSA-N 306.410 -0.589 30 20 DBED C[C@H](NC(=O)c1cn[nH]c1)[C@@H]1CCCN(CC(=O)NCC#N)C1 1752833334 FAGOADGLWKLNTP-NWDGAFQWSA-N 318.381 -0.120 30 20 DBED C#CCN[C@H](CC)CNC(=O)CN1CCCCS1(=O)=O 1753481947 CANFCTPLRJBXLS-GFCCVEGCSA-N 301.412 -0.470 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H](CCNCC(N)=O)C1 1753548373 NTVOZINGXYMEME-GJZGRUSLSA-N 320.437 -0.212 30 20 DBED CC#CCNC[C@H](CC(C)C)NC(=O)Cn1cnc(C(N)=O)n1 1753735315 TZDAOJLGZYOALG-LBPRGKRZSA-N 320.397 -0.479 30 20 DBED C#CCN1CCC(C(=O)NC[C@@H](O)CN[C@@H](C)COC)CC1 1753946058 CXHJXRPBISPZRD-ZFWWWQNUSA-N 311.426 -0.567 30 20 DBED Cc1nnsc1C(=O)NC[C@H]1CCN1CC(=O)NCC#N 1754472097 JTQQWNZJSLPOCR-SECBINFHSA-N 308.367 -0.710 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(Cc2cc(C)no2)C1 1754767315 JJVAPPKQPXKHAB-UHFFFAOYSA-N 307.350 -0.314 30 20 DBED C=C(C)CN1CC(O)(CNC(=O)[C@@]23C[C@H]4C[C@H](C(=O)N2)[C@H]3C4)C1 1754769826 NJOLJJXBHGUMHF-JRATXPSKSA-N 319.405 -0.360 30 20 DBED C#CCNC(=O)CN[C@H]1CN(C(=O)CCN(C)CC)C[C@@H]1C 1755118327 GGVVNWRXZFLJBZ-KBPBESRZSA-N 308.426 -0.486 30 20 DBED N#CCNCC1(O)CCN(C(=O)c2cnn3cccnc23)CC1 1755151557 JSCSGTMQIOVMMV-UHFFFAOYSA-N 314.349 -0.190 30 20 DBED Cc1nnsc1C(=O)N[C@H](C)[C@@H](C)NCC(=O)NCC#N 1755227880 XDKKSDSTCZKURJ-HTQZYQBOSA-N 310.383 -0.417 30 20 DBED CC#CCN(C)[C@H](C)CNC(=O)C[C@]1(C)CCS(=O)(=O)N1 1755324565 NQDQAOHEZCMXKQ-OCCSQVGLSA-N 315.439 -0.082 30 20 DBED C=C[C@@](C)(O)CC(=O)NC1(CCO)CN(Cc2nnc(C)o2)C1 1755331848 TURSSEWQFBJJLR-CQSZACIVSA-N 324.381 -0.242 30 20 DBED C#Cc1ccc(C(=O)NC[C@H](CO)NCC(=O)NC(C)C)nc1 1755644613 ANKLFKFJAUCKJM-CYBMUJFWSA-N 318.377 -0.732 30 20 DBED CC#CCN1CCC[C@H](NC(=O)CNC(=O)CNC(C)=O)[C@@H]1C 1755715592 AYPHONAVPUVVQC-JSGCOSHPSA-N 322.409 -0.769 30 20 DBED COCC#CCN(C)C[C@@H](O)CN(C)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 1755805929 UVXGQGRUAVSFPE-FPCVCCKLSA-N 324.421 -0.045 30 20 DBED C[C@@H]1CCCN(C(=O)C(=O)N(C)CCOCCNCC#N)C1 1755876321 MHGLKOZGTNGJNL-CYBMUJFWSA-N 310.398 -0.167 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](CO)CNC(=O)CC1CCCC1 1756502633 QKWTVFSRWXAXKG-ZDUSSCGKSA-N 323.393 -0.701 30 20 DBED C[C@@H](NC(=O)C(C)(C)C#N)C(=O)N1CCS(=O)(=O)CC1 1771601346 ZGMLOHAWNYXGCP-SECBINFHSA-N 301.368 -0.702 30 20 DBED C=CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)CC(N)=O 1793432807 DIEHSWIBHVDFBH-MCYUEQNJSA-N 323.393 -0.336 30 20 DBED CC(C)[C@H](O)C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1841423046 FNPDCGLOBJUMFS-ZDUSSCGKSA-N 308.334 -0.705 30 20 DBED N#CCC(=O)N1CCCC12CN(C(=O)[C@H]1CCC(=O)NC1)C2 1842620834 BFYCYWBVFFAGRG-NSHDSACASA-N 304.350 -0.370 30 20 DBED O=C1CC(C(=O)N2CCCC23CN(C(=O)C#CC2CC2)C3)=NN1 1844222281 FVSOGHMVENHRIN-UHFFFAOYSA-N 314.345 -0.521 30 20 DBED C=CCNC(=O)COC(=O)CNC(=O)c1ccc2c(c1)OCO2 28447442 WWEVGOCPNHDRQX-UHFFFAOYSA-N 320.301 -0.010 30 20 DBED CS(=O)(=O)NCCNC(=O)C(=O)Nc1cccc(C#N)c1 41404050 NZXSAASOSSDEEG-UHFFFAOYSA-N 310.335 -0.838 30 20 DBED C/N=C(/NC[C@@H]1CN(C)CCN1C)N(C)Cc1cnn(C)c1 88799168 FUIZSSAANRKKPA-CQSZACIVSA-N 307.446 -0.327 30 20 DBED CNS(=O)(=O)CCNS(=O)(=O)c1cccc(C#N)c1 221086076 RFZHQPZUSRMLPV-UHFFFAOYSA-N 303.365 -0.614 30 20 DBED C/N=C(/NCCN1CCC1)N1CCN(C[C@H]2CCOC2)CC1 261725644 LDZMXXGZERMMQF-OAHLLOKOSA-N 309.458 -0.078 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCC[C@H]2CN)C1=O 262648305 WEYQNHZOCOXMJL-UWVGGRQHSA-N 308.338 -0.793 30 20 DBED N#Cc1ccc(S(=O)(=O)NCCC(=O)N2CCOCC2)cn1 263651205 BICLPKDKLQUNCJ-UHFFFAOYSA-N 324.362 -0.520 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N(C)CCS(=O)(=O)CC 270369676 HKMFLCOTNNCESY-JTQLQIEISA-N 305.400 -0.247 30 20 DBED N#CCC(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 274169862 IQBUWJWZZIMCLB-UHFFFAOYSA-N 322.346 -0.341 30 20 DBED C#C[C@H](C)NC(=O)C(=O)Nc1ccc(C)c(S(=O)(=O)NC)c1 275916082 GXPHORBJEMPLNC-JTQLQIEISA-N 323.374 -0.020 30 20 DBED C=CCNC(=O)CNC(=O)c1cc(N2CCNC(=O)C2)ccn1 276419370 XASHRFOEGJQNTQ-UHFFFAOYSA-N 317.349 -0.950 30 20 DBED COC(=O)[C@]1(C)CCN(C(=O)NCCn2cnc(C#N)n2)C1 287713548 BTVVSIXSHBBNAO-CYBMUJFWSA-N 306.326 -0.256 30 20 DBED N#Cc1ccc(S(=O)(=O)NC[C@@H](O)CN2CCOCC2)o1 287774468 KBLKGUCEDAMROQ-SNVBAGLBSA-N 315.351 -0.877 30 20 DBED C=C[C@H](CO)NC(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O 290900699 CJNANEXQFQYTPJ-MNOVXSKESA-N 307.354 -0.238 30 20 DBED C=C[C@H](CO)NC(=O)NCCCn1nc2n(c1=O)CCCC2 291395527 WVFUAXOYXLSXIS-LLVKDONJSA-N 309.370 -0.383 30 20 DBED C=CCN(CCC#N)CC(=O)c1c(N)n(C)c(=O)n(C)c1=O 292149325 KCEQIJCYQGIAQP-UHFFFAOYSA-N 305.338 -0.749 30 20 DBED C=CCN(CCC#N)[C@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O 292220155 PALQAQLLMCYAAG-SNVBAGLBSA-N 319.365 -0.361 30 20 DBED C[C@H]1CS(=O)(=O)CCN1/C(O)=N/CCn1ccccc1=O 328845142 XCYMDKFIWNQOID-NSHDSACASA-N 313.379 -0.119 30 20 DBED CCS(=O)(=O)NCCC/N=C(/O)Nc1cc(C)n(C)n1 331259234 HRDXOVILYHLGPZ-UHFFFAOYSA-N 303.388 0.384 30 20 DBED CCOC(=O)C[C@H](C)CNS(=O)(=O)N1CCO[C@H](C#N)C1 336887755 HEDNUFJAIXOJNL-WDEREUQCSA-N 319.383 -0.366 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CC[C@@](C)(C(=O)NC)C1 337164495 XQYNPTWPDHGKFR-GFCCVEGCSA-N 302.400 -0.075 30 20 DBED CS(=O)(=O)N1CCC[C@H]1CNS(=O)(=O)CCCC#N 338160380 VGOGDQZJOGNRCF-JTQLQIEISA-N 309.413 -0.366 30 20 DBED CC#CCN(C)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 339128284 QZOZIBXKHSTGAA-UHFFFAOYSA-N 307.331 -0.140 30 20 DBED Cc1c(CC(=O)NCC(=O)NCC#N)nnn1-c1ccccc1 344156924 SWCYPYLSMSWTLU-UHFFFAOYSA-N 312.333 -0.126 30 20 DBED C=CCNC(=O)CNC(=O)c1coc(S(=O)(=O)NC)c1 347888996 DPQWTQLJKWUFIP-UHFFFAOYSA-N 301.324 -0.780 30 20 DBED Cn1cc(C#N)c(=O)n(C[C@@H](O)COCc2ccco2)c1=O 356542551 ARCKPSNWIOCUBW-LLVKDONJSA-N 305.290 -0.411 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1CCN([C@@H]2CCC[C@H]2O)CC1 369259128 NHEHYXQDRTXLCI-BFHYXJOUSA-N 324.425 -0.082 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCNC[C@@H]2C)C1=O 432510316 QAXPUKMMOZYWAX-VHSXEESVSA-N 308.338 -0.923 30 20 DBED C#CCNC(=O)CN1CCN(Cc2cc(OC)ccn2)CC1 491096036 ORQLANGLBBDLIC-UHFFFAOYSA-N 302.378 -0.043 30 20 DBED C#CCN(C(=O)C(=O)NCCN1CCNCC1)C1CCCCC1 491465820 YKXKWUGCNDFHCW-UHFFFAOYSA-N 320.437 -0.198 30 20 DBED C#C[C@H](C)N(C)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 491748269 DJURBQIUCNLSLJ-QMMMGPOBSA-N 307.331 -0.141 30 20 DBED COC(=O)CNC(=O)CNS(=O)(=O)c1ccccc1C#N 518947235 SMSKEPQREZQHCJ-UHFFFAOYSA-N 311.319 -0.874 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(NS(=O)(=O)NC)CC1 571453439 RXXSJZZPUXSKSX-NEPJUHHUSA-N 317.411 -0.378 30 20 DBED N#Cc1ccc(OC[C@@H](O)CN[C@@]2(C(N)=O)CCOC2)cc1 578203348 PESVIYMYOATUKC-WFASDCNBSA-N 305.334 -0.468 30 20 DBED C[C@@H](COCC1CC1)NS(=O)(=O)N1CCO[C@H](C#N)C1 593654854 XERMLEUHZCUZCA-CMPLNLGQSA-N 303.384 -0.140 30 20 DBED CN1CCN(Cc2cn(CCn3cc(C#N)cn3)nn2)CC1 594646272 WIHATNBDYICUDW-UHFFFAOYSA-N 300.370 -0.206 30 20 DBED N#Cc1cc(F)ccc1CS(=O)(=O)N1C[C@H](O)[C@H](O)C1 594768601 XLCYBJAAIZFASJ-TXEJJXNPSA-N 300.311 -0.435 30 20 DBED CCc1nc(C#N)cc(NCCN2CCS(=O)(=O)CC2)n1 596078242 TXWAJJIUCKYNGL-UHFFFAOYSA-N 309.395 0.053 30 20 DBED CNS(=O)(=O)N1CCN(C[C@@H](O)CC(C)(C)C#N)CC1 598617595 UBCKUISLBBRQHQ-NSHDSACASA-N 304.416 -0.631 30 20 DBED N#CCCN1CCN(C(=O)NCCC(=O)N2CCOCC2)CC1 601561370 MFNTUNKJSUQRDS-UHFFFAOYSA-N 323.397 -0.524 30 20 DBED COCC(=O)NC1CCN([C@@H](C)C(=O)N(C)CCC#N)CC1 603681700 AONCSHBDCQGCAR-LBPRGKRZSA-N 310.398 -0.026 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)[C@@H](C)NS(=O)(=O)CC)C1=O 614395065 XORYRMKSBPPAKW-GHMZBOCLSA-N 317.411 -0.441 30 20 DBED CC#CC[C@@H](CO)NC(=O)[C@@H]1CCCCN1S(C)(=O)=O 649192870 RLRIOKFTWNQGDM-RYUDHWBXSA-N 302.396 -0.309 30 20 DBED C=C[C@@](C)(O)C(=O)N(CC)CC(=O)N[C@H]1CCS(=O)(=O)C1 665919417 KYOKFBSFEMADNQ-GXFFZTMASA-N 318.395 -0.925 30 20 DBED C=CCN1CCC(NC(=O)NCCS(=O)(=O)NCC)CC1 731759329 XZUBPYLINWWDPJ-UHFFFAOYSA-N 318.443 -0.125 30 20 DBED NC(=O)CNC(=S)NN=Cc1ccc(-n2cncn2)c(F)c1 731930349 VRXRJHYKPKTYSE-UHFFFAOYSA-N 321.341 -0.310 30 20 DBED Cn1nc(CC(=O)N(CC#N)CC(=O)O)c2ccccc2c1=O 739049867 IFULWMBDHLDEGK-UHFFFAOYSA-N 314.301 -0.087 30 20 DBED COC(=O)C1=C(C(=O)C2CC2)[C@@H](c2cn(C)nn2)NC(=S)N1 741648069 GWJXAAOFMKYOFD-SECBINFHSA-N 321.362 -0.260 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCc2nn(C)c(=O)cc2C1 744622662 HREQSRCDXHJPOU-AWEZNQCLSA-N 300.362 -0.237 30 20 DBED N#CCOc1cccc(CC(=O)N2CCN(C(=O)CO)CC2)c1 765262070 QPKSCXLSEXDXSB-UHFFFAOYSA-N 317.345 -0.205 30 20 DBED COC(=O)[C@H]1CN(C(=O)C(=O)NCCC#N)c2ccccc2O1 787593853 KYCMWSBRLLTVKT-GFCCVEGCSA-N 317.301 -0.017 30 20 DBED C=CCNC(=O)[C@@H](C)OC(=O)CCC[C@@]1(C)NC(=O)NC1=O 801433421 JQVONQUBGXCEBD-YMTOWFKASA-N 311.338 -0.011 30 20 DBED COCCCS(=O)(=O)N1CCN(CCO[C@@H](C)C#N)CC1 801929147 GSQMNBFYFNYUIS-ZDUSSCGKSA-N 319.427 -0.101 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@@H]1CCN(C2CC2)C1)[C@H]1CCCO1 803179072 GGGYTTUNYFIADX-KWCYVHTRSA-N 305.378 -0.364 30 20 DBED N#Cc1ccncc1C(=O)OCC(=O)N1CCCC[C@@H]1C(N)=O 805717701 UDFUCZFQUGNLMN-GFCCVEGCSA-N 316.317 -0.024 30 20 DBED CN(C)CCN1C[C@H](C(=O)NCc2ccc(C#N)cn2)CC1=O 813705811 AKSKUAZPQLBNPZ-CYBMUJFWSA-N 315.377 -0.020 30 20 DBED C#CCN(C)CCCNC(=O)[C@H]1CCCCN1S(C)(=O)=O 818584199 HHDLENJUFYRKIQ-CYBMUJFWSA-N 315.439 -0.128 30 20 DBED O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CC[C@H](C(=O)O)C1 819691771 XTCDDHUUNCPTIA-ASGQQMQCSA-N 322.321 -0.371 30 20 DBED Cn1ncnc1C=NNC(=S)NCCCN1CCOCC1 842522280 MRULMUXXJKKTJA-UHFFFAOYSA-N 311.415 -0.665 30 20 DBED Cc1ccn(C[C@@](C)(O)C(=O)N[C@@H]2CCCN(O)C2=O)c(=O)c1 848134719 YBBYHAVVNJCLKF-IAQYHMDHSA-N 323.349 -0.596 30 20 DBED C#C[C@@H](C)NS(=O)(=O)CCCS(=O)(=O)Nc1cn[nH]c1 848964816 DTCVRYJHHAHQNG-SECBINFHSA-N 320.396 -0.517 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N1CC[C@@H](NC(C)=O)C1 875595555 ACOCVMVNRAICIG-QWHCGFSZSA-N 309.366 -0.732 30 20 DBED C#CCNCC(=O)NS(=O)(=O)Cc1ccc2c(c1)COC2 901055676 RWYRQEJZDMCEOJ-UHFFFAOYSA-N 308.359 -0.114 30 20 DBED COc1ccc(CNC(=O)CN2CCNC(=O)C2)cc1C#N 901162004 ZFURIVODPOJESU-UHFFFAOYSA-N 302.334 -0.385 30 20 DBED C#CC[C@@H](CO)NC(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 914378541 DGCIJYLVTYWFEF-QWRGUYRKSA-N 303.384 -0.906 30 20 DBED N#CCCN1CCN(C(=O)C(=O)N2CC[C@@H](CCN)C2)CC1 926397022 OGLLOAFKPLRAOY-CYBMUJFWSA-N 307.398 -0.758 30 20 DBED CO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1NC(=O)c1ccc(C)nn1 941744133 MKDUUBAAIIJPAF-OASPWFOLSA-N 317.349 -0.100 30 20 DBED C[C@]1(C(=O)N2CCOC3(CCN(CC#N)CC3)C2)CNC(=O)C1 949148010 QWPOKTGXKMAFHL-OAHLLOKOSA-N 320.393 -0.270 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](C2CCN(C(=O)C(N)=O)CC2)C1 952305632 VAXRRXCDBWKSJV-ZYHUDNBSSA-N 306.366 -0.282 30 20 DBED C#Cc1ccc(C(=O)N(C)C2CN(C(=O)Cc3nc[nH]n3)C2)cn1 954913079 PMNIVOLDTKMFFW-UHFFFAOYSA-N 324.344 -0.294 30 20 DBED C=C1CC(C)(C(=O)N(C)C2CN(C(=O)Cn3cnnn3)C2)C1 955253697 KEPIHXDKZVVITI-UHFFFAOYSA-N 304.354 -0.301 30 20 DBED C#CCCN1CC(N(CC)C(=O)c2nccnc2C(N)=O)C1 957364480 BCCSBUQMQFYPAX-UHFFFAOYSA-N 301.350 -0.255 30 20 DBED C#CCN1C[C@H](CNC(=O)c2cc(=O)c(OC)c[nH]2)[C@@H](O)C1 958264837 XWRDEIAHVGQDDN-GWCFXTLKSA-N 305.334 -0.961 30 20 DBED C=CCN1C[C@@H](O)[C@@H](CNC(=O)c2c(C)c[nH]c2CC(N)=O)C1 958409978 XUYJEHFFUNWANE-WCQYABFASA-N 320.393 -0.441 30 20 DBED C=CCN1C[C@H](O)[C@H](CNC(=O)C2CCN(C(C)=O)CC2)C1 958657268 GKHHTZHFKHDWHE-CABCVRRESA-N 309.410 -0.160 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2cnn[nH]2)[C@H](C)C1 959681751 RMPRRDIKEMJYNQ-WFFHOREQSA-N 319.365 -0.028 30 20 DBED CS(=O)(=O)CC(=O)N1C[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2C1 961129692 QTFNMUNXDYLSCI-BETUJISGSA-N 324.402 -0.639 30 20 DBED Cc1cc(C)n2nc(C(=O)N[C@H]3[C@@H]4CN(CC#N)C[C@@H]43)nc2n1 962457268 UFEGXZMFVOPZHQ-GDNZZTSVSA-N 311.349 -0.075 30 20 DBED C#Cc1cncc(C(=O)N[C@H]2CN(CC(N)=O)CC[C@H]2C)c1 968318736 ZNQPPFAHSHUHAY-RISCZKNCSA-N 300.362 -0.012 30 20 DBED C=C(C)CN(C)[C@@H]1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)C1 971640519 FQVSFVQEKDAMMI-CYBMUJFWSA-N 320.393 -0.344 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)[C@]3(C)CNC(=O)C3)C2)C1 972481059 XKNWBGYHKSRKPA-HOTGVXAUSA-N 305.378 -0.551 30 20 DBED N#Cc1cc(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CCC(=O)N3)C2)c[nH]1 973188655 BNHCIAZPHJVKDP-NHCYSSNCSA-N 315.333 -0.458 30 20 DBED CCN1CCO[C@@H](C(=O)N[C@H]2[C@@H]3CN(C(=O)[C@H](C)C#N)C[C@@H]32)C1 976607131 RAYVBOMPIDXSRL-RGDJUOJXSA-N 320.393 -0.560 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)CC(N)=O 977797407 PLIVOWWJXHQRLU-HUBLWGQQSA-N 323.393 -0.098 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@H]1CN(C)C(=O)[C@@H]1CNC(=O)N1 978287524 FOFCUWWKRJVBDN-QWRGUYRKSA-N 308.382 -0.061 30 20 DBED C#CCN[C@H]1C[C@@H](C)N(C(=O)c2ccc(=O)n(CCOC)n2)C1 989147112 XTEDWLBXOYTFCD-OLZOCXBDSA-N 318.377 -0.285 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H](NC(=O)[C@]2(C)CCC(=O)N2)C1 989266818 YWPRSGLJLLMDMH-PGUXBMHVSA-N 306.366 -0.078 30 20 DBED Cn1nccc1C(=O)N[C@@H]1CCN(C(=O)C#CC2CC2)C[C@H]1O 991322339 AXQSLPMPTNXRKP-TZMCWYRMSA-N 316.361 -0.475 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CCN(C(=O)C3CC3)C[C@@H]2O)c[nH]1 991401879 RNXCYZNNIAVWLP-OLZOCXBDSA-N 302.334 -0.012 30 20 DBED O=C(Cc1nc2ncccn2n1)NC1CN(C(=O)C#CC2CC2)C1 991729824 OWHIRDTZKGCCEC-UHFFFAOYSA-N 324.344 -0.593 30 20 DBED C#CCN1CC[C@@]2(NC(=O)c3cn(CC(N)=O)nn3)CCC[C@H]12 992525273 KPZBXZOCIPODMC-WFASDCNBSA-N 316.365 -0.877 30 20 DBED COc1coc(C(=O)NC2CN(C(=O)[C@@H](C)C#N)C2)cc1=O 995607079 QSFBYGYSDCKDTD-QMMMGPOBSA-N 305.290 -0.251 30 20 DBED CC(=O)N1CCOC[C@H]1C(=O)N1C[C@@H](NCC#N)C(C)(C)C1 996640967 CWPGZHGIUHBRLE-QWHCGFSZSA-N 308.382 -0.416 30 20 DBED C=C(Cl)CN[C@H]1CCCN(C(=O)Cn2ncn(C)c2=O)C1 999543047 SVKAHUDTRKKZMP-NSHDSACASA-N 313.789 -0.085 30 20 DBED Cn1cc(C(=O)NCc2cn([C@H]3CCN(CC#N)C3)nn2)cn1 999965224 HZEIWAMULJQTTO-ZDUSSCGKSA-N 314.353 -0.288 30 20 DBED CN1CC[C@H](C(=O)NC2CCN(CC#N)CC2)S1(=O)=O 1003779618 GTJQCEPNJOGGOL-LLVKDONJSA-N 300.384 -0.876 30 20 DBED C#CCCN1CCC(N(C)C(=O)c2cn(CC(N)=O)nn2)CC1 1006447069 FQIGJNTWKWJOCE-UHFFFAOYSA-N 318.381 -0.677 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@@]2(CN(C(C)=O)CCO2)C1 1007672494 DKNSJBUEJOHMBO-DOTOQJQBSA-N 319.405 -0.066 30 20 DBED N#Cc1cc(C(=O)N2C[C@@H]3C(NC(=O)c4cnon4)[C@H]3C2)c[nH]1 1013639814 OSHSQVOSMHJBDY-UWVGGRQHSA-N 312.289 -0.230 30 20 DBED C[C@H](C#N)C(=O)N1CCC2(CN(C(=O)c3cnn(C)n3)C2)C1 1019190449 XJOAGJVLNOGLCJ-SNVBAGLBSA-N 302.338 -0.351 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cncnc2)C1 1023486741 PTKIJXPXBFMCFD-VXGBXAGGSA-N 304.350 -0.010 30 20 DBED C#CCN[C@@H]1CC[C@@H]2CN(C(=O)CN3C(=O)CCC3=O)C[C@H]21 1026416707 XZIHEKGEZJFMAT-JHJVBQTASA-N 303.362 -0.405 30 20 DBED CC#CCN1CCC[C@@H]1CNC(=O)c1cn(C)c(=O)nc1O 1028312272 GXAYVPMPIAJLEI-LLVKDONJSA-N 304.350 -0.297 30 20 DBED N#Cc1ccc(F)cc1CN1CC(NC(=O)Cn2cnnn2)C1 1030091159 SZDQSUONMDYQRX-UHFFFAOYSA-N 315.312 -0.316 30 20 DBED C=CCn1cc(C(=O)NC2CN([C@@H]3CCN(CC)C3=O)C2)nn1 1031071460 ULHFRNWGJCLOII-CYBMUJFWSA-N 318.381 -0.501 30 20 DBED C=CCN1CCCC[C@H](NC(=O)CN2CCN(C)C(=O)C2)C1 1034278790 LXVCTDVJEKGKFL-AWEZNQCLSA-N 308.426 -0.083 30 20 DBED C#CCN[C@@H]1CCN(C(=O)CN2CCC(=O)NC2=O)C[C@@H]1C 1036268777 YWTMWRBVSHFWDQ-NWDGAFQWSA-N 306.366 -0.612 30 20 DBED C=C(C)CN1C[C@H]2C[C@H]1[C@H]2NC(=O)c1cn(C)c(=O)n(C)c1=O 1037604217 CVYSAKNLBBWPIB-WXHSDQCUSA-N 318.377 -0.537 30 20 DBED C#CCOCCC(=O)NC[C@@]1(O)CCN(C(=O)C(F)F)C1 1039719479 VFMBVSPCGUFXPI-ZDUSSCGKSA-N 304.293 -0.629 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@]1(O)CCN(C(=O)CC2CC2)C1 1039720938 GPDRIKMHNKFSCD-WBMJQRKESA-N 308.378 -0.096 30 20 DBED C=CCOCC(=O)N1CC[C@@](O)(CNC(=O)c2cncn2C)C1 1040235027 MCWLMGNKKLPUFD-OAHLLOKOSA-N 322.365 -0.684 30 20 DBED CCc1nc[nH]c1C(=O)N1CC[C@](O)(CNC(=O)[C@@H](C)C#N)C1 1040761656 UXVXNBJKMBLPGM-BONVTDFDSA-N 319.365 -0.175 30 20 DBED Cc1[nH]nc(C(=O)N2CC[C@](O)(CNC(=O)[C@H](C)C#N)C2)c1C 1040763670 QTAZTWOPGLUUOS-PSLIRLAXSA-N 319.365 -0.121 30 20 DBED N#Cc1nccnc1N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCCO2)C1 1040976811 WTRDQAKQLTVWMI-JHJVBQTASA-N 317.349 -0.417 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)c2ccc(C)o2)C1 1041346036 RIRVAUDSBCQALY-UHFFFAOYSA-N 320.345 -0.069 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC(O)(CNC(=O)c3cc[nH]n3)C2)c1 1041604618 UGOONXSGUXRUSN-UHFFFAOYSA-N 314.305 -0.774 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)c2cnns2)C1 1041695275 WVPFDOLZFKIEDO-UHFFFAOYSA-N 312.351 -0.956 30 20 DBED COC(=O)[C@@H]1C[C@@H]1C(=O)NCC1(O)CN(C(=O)C#CC(C)C)C1 1041983567 CLTKLXZEAUCCMU-NWDGAFQWSA-N 322.361 -0.856 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)c2cn(CC)cn2)C1 1042039885 KWEPCAWGFITMAA-UHFFFAOYSA-N 322.365 -0.591 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)C2CC3(CC3)C2)C1 1043041907 LTQVFEMCUPCHAH-LBPRGKRZSA-N 320.389 -0.096 30 20 DBED CN1CC[C@H](C(=O)NCC2(O)CN(C(=O)C#CC3CC3)C2)C1 1043116501 OKMPEGSRUUAKPT-ZDUSSCGKSA-N 305.378 -0.959 30 20 DBED C=C(C)CCC(=O)NCC1(O)CN(C(=O)[C@H]2CCCC(=O)N2)C1 1043314206 BXIROYFRYLVQIK-GFCCVEGCSA-N 323.393 -0.299 30 20 DBED C[C@@H]1CN(C(=O)Cc2nc[nH]n2)C[C@H]1N=c1cc[nH]c(C#N)n1 1043323469 IFZKGRFPIYAWIV-NXEZZACHSA-N 312.337 -0.610 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(O)(CNC(=O)c2cc[nH]c2)C1 1043394098 XUVBKRCONOHVBA-OLZOCXBDSA-N 319.361 -0.091 30 20 DBED N#Cc1nccc(N2C[C@H](O)[C@H](NC(=O)[C@H]3CCOC3)C2)n1 1043866987 MXDJPFDYAPGHLM-AXFHLTTASA-N 303.322 -0.950 30 20 DBED CN(C(=O)Cn1nc2n(c1=O)CCCC2)C1CN(CC#N)C1 1044147803 DHEFCHHDUVVFHU-UHFFFAOYSA-N 304.354 -0.953 30 20 DBED C#Cc1ccc(C(=O)NCC2(O)CN(C(=O)C(F)F)C2)nc1 1044254944 MVUOLRXVRLVDMY-UHFFFAOYSA-N 309.272 -0.369 30 20 DBED N#Cc1nccnc1N1C[C@H](O)[C@H](NC(=O)c2cnco2)C1 1044362060 YUXXDNYVCCRGSU-ZJUUUORDSA-N 300.278 -0.684 30 20 DBED Cc1ncc(C(=O)NCC2(O)CN(C(=O)[C@@H](C)C#N)C2)n1C 1045152466 HRELSEZEGGJMDK-VIFPVBQESA-N 305.338 -0.809 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)N2CC(N)=O 1045797661 UNIKHOLJVWQULG-ILXRZTDVSA-N 318.421 -0.365 30 20 DBED N#CCN1CC[C@@H](N2CCN(C(=O)c3cncnc3)CC2)C1 1046021755 DWLAGJFSZMTSTK-CQSZACIVSA-N 300.366 -0.168 30 20 DBED C=CCN1CC[C@H](N2CCN(C(=O)[C@@]3(C)CNC(=O)C3)CC2)C1 1046046777 IRNBXJKOIXKNNS-WMLDXEAASA-N 320.437 -0.083 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)Cc2cnn(C)c2C)C1 1047406208 RUIQGEUGRURYSJ-GJZGRUSLSA-N 304.394 -0.202 30 20 DBED CN(C(=O)[C@@H]1CCCn2nccc21)[C@H]1CN(CC#N)C[C@@H]1O 1047432619 CABYVIWJRMUOPT-XBFCOCLRSA-N 303.366 -0.212 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CCCC(=O)N2)C1 1047450195 AOZUTGGQOSLONJ-IHRRRGAJSA-N 307.394 -0.428 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1047463434 IAFIYCUPZQQPQY-IHCJZGQOSA-N 304.390 -0.063 30 20 DBED CCO[C@@H]1CN(C(=O)C(N)=O)C[C@H]1CNc1nccnc1C#N 1047925442 KWLYAVPNFQTFGY-MWLCHTKSSA-N 318.337 -0.891 30 20 DBED C#CCN1CCc2c(CNC(=O)[C@H]3CNC(=O)N3)cccc2C1 1051298956 BRZIKRRXJKDBKT-OAHLLOKOSA-N 312.373 -0.025 30 20 DBED N#CCN1CCC(N2[C@H]3CC[C@H]2CN(C(=O)CC(N)=O)C3)CC1 1052987259 IUCFFUDDFZRKTQ-KBPBESRZSA-N 319.409 -0.475 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC2(CN(Cc3ncnn3C)C2)C1 1053190901 HSSGBQQFKYTXRM-NSHDSACASA-N 304.354 -0.612 30 20 DBED COc1nc(C)ncc1C(=O)N[C@@H]1COC2(C1)CN(CC#N)C2 1053823470 MUJQJRPIITZPOX-NSHDSACASA-N 317.349 -0.110 30 20 DBED CN1CC[C@H](CC(=O)N[C@H]2COC3(C2)CN(CC#N)C3)C1=O 1053841423 IXWRDNMCGWKELW-VXGBXAGGSA-N 306.366 -0.662 30 20 DBED COc1cc(C(=O)N[C@@H]2COC3(C2)CN(CC#N)C3)nn1C 1053866068 QQRLLZSHVXJIBJ-JTQLQIEISA-N 305.338 -0.475 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)Cc3cncn3C)CO2)C1 1053982642 MVAVKBNQYDDRLC-ZDUSSCGKSA-N 302.378 -0.055 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@](CO)(NC(=O)c2cnco2)C1 1056023149 KOEMUGXUTORXQC-HZMBPMFUSA-N 306.322 -0.082 30 20 DBED C#CCOCCC(=O)NCCN(CCO)C(=O)C1=CCOCC1 1057411828 PVJZHBRQQQZBNH-UHFFFAOYSA-N 324.377 -0.690 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)COc1cccnc1 1058097795 SWIPGMBMDMFCNM-GFCCVEGCSA-N 320.349 -0.443 30 20 DBED N#Cc1ccc(N2CC[C@H](NC(=O)[C@@H]3COCCO3)C2)nn1 1058304601 GHAQWSUGAJDQHO-RYUDHWBXSA-N 303.322 -0.541 30 20 DBED N#Cc1ccc(N2CC[C@H](NC(=O)[C@H]3CCC(=O)N3)C2)nn1 1058312964 BFYTXWUSACYPIR-WDEREUQCSA-N 300.322 -0.678 30 20 DBED CC#CCCCC(=O)N(CCO)CCNC(=O)CC(=O)NC 1058444213 INDHXAYJKZUOKK-UHFFFAOYSA-N 311.382 -0.747 30 20 DBED C=C(C)C[C@H](C)C(=O)N(CCO)CCNC(=O)c1cnn(C)n1 1058463501 AQDJGWVBJPPSLG-LBPRGKRZSA-N 323.397 -0.032 30 20 DBED C[C@@]1(C(=O)N[C@@H]2CCN(c3ccc(C#N)nn3)C2)CCNC1=O 1058541954 XHZHHEVTYXLNAE-IAQYHMDHSA-N 314.349 -0.431 30 20 DBED CC(C)[C@H](C(=O)NCCN(CCO)C(=O)[C@H](C)C#N)N(C)C 1058655040 OQGOCLLGAXYCLQ-CHWSQXEVSA-N 312.414 -0.331 30 20 DBED C=C[C@@](C)(CC)C(=O)N(CCO)CCNC(=O)Cn1cncn1 1058730984 NYDJNHZBEBLEFN-HNNXBMFYSA-N 323.397 -0.183 30 20 DBED CN1C[C@H](C(=O)N2CC[C@H](N=c3cc[nH]c(C#N)n3)C2)CC1=O 1059097951 WCCSNTWRHXTMNY-MNOVXSKESA-N 314.349 -0.739 30 20 DBED C#CCO[C@H](C)C(=O)NCC[C@@H]1CCN(C(=O)c2nc[nH]n2)C1 1060111562 DESLMVQRZONEAR-VXGBXAGGSA-N 319.365 -0.189 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](CCNC(=O)C2(C(N)=O)CC2)C1 1060285635 BMXMRUGKYQNTEG-GHMZBOCLSA-N 306.366 -0.234 30 20 DBED Cn1cc(C(=O)N2C[C@@H]3CC[C@H](C2)N3c2ccnc(C#N)n2)nn1 1061957258 BPKAEFWCGAFSRE-PHIMTYICSA-N 324.348 -0.030 30 20 DBED N#Cc1cnc(N2C[C@@H]3C[C@H]2CN3C(=O)c2c[nH]c(=O)cn2)cn1 1062569324 ZCSPCYSWTPEDBT-QWRGUYRKSA-N 323.316 -0.465 30 20 DBED C=CCOCC(=O)NC1(CNC(=O)CN(C)C(C)=O)CCC1 1062580505 AOPDBZZEAQYWBE-UHFFFAOYSA-N 311.382 -0.178 30 20 DBED CN(C(=O)Cn1cnnn1)[C@H]1CCN(c2cnc(C#N)cn2)C1 1062876777 LPRBBLHUFXIJRZ-NSHDSACASA-N 313.325 -0.928 30 20 DBED C[C@H]1CN(C(=O)CC(N)=O)CC[C@H]1Nc1cnc(C#N)cn1 1063714154 ULFNUNMSWLXGNS-GXSJLCMTSA-N 302.338 -0.127 30 20 DBED Cc1cc(C#N)nc(NC[C@H]2CCC[C@H]2NC(=O)C(N)=O)n1 1064132637 CVINTNYJKMQTDT-MWLCHTKSSA-N 302.338 -0.161 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)c2cc(=O)n(C)o2)CCC1 1064302526 MAZZDFSNYJHYKO-VIFPVBQESA-N 306.322 -0.093 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CN(C(=O)c2cnsn2)CCO1 1064909628 PKBXVGPAPBQSSQ-IUCAKERBSA-N 309.351 -0.345 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)[C@@H](C)OC)CCO1 1064919084 DHROSMHQOJBCBG-NEPJUHHUSA-N 300.355 -0.433 30 20 DBED C=CCCC(=O)N1CCO[C@@H](CNC(=O)CNC(=O)CC)C1 1064956134 RTHYKRFUZIDLOV-LBPRGKRZSA-N 311.382 -0.178 30 20 DBED N#Cc1cncc(N2C[C@@H](O)[C@H](CNC(=O)c3cc[nH]c3)C2)n1 1067696585 WBTOPPKMGRVWDZ-DGCLKSJQSA-N 312.333 -0.097 30 20 DBED C=CCO[C@H](C)C(=O)N1CCOC2(CN(C(=O)COC)C2)C1 1068406758 CIXDLFLQAKSVTJ-GFCCVEGCSA-N 312.366 -0.336 30 20 DBED C=C[C@@H](CC)CC(=O)NC[C@H]1CCC2(CN(C(=O)C(N)=O)C2)O1 1068609696 CNGJQTCVWPNTOW-NWDGAFQWSA-N 323.393 -0.050 30 20 DBED COC(=O)[C@H]1C[C@H]1C(=O)NCc1cnn2c1CN(CC#N)CC2 1069854453 JMNIQQLBJHBYSH-NEPJUHHUSA-N 317.349 -0.352 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H]2OCC[C@H]2C)C1 1070028829 GFNWGZSDVLJCKM-MQYQWHSLSA-N 303.366 -0.322 30 20 DBED C=CCN[C@@H]1CN(C(=O)c2cncnc2O)C[C@@H]1n1ccnn1 1070215372 USUDQOUYAAYPPS-NEPJUHHUSA-N 315.337 -0.385 30 20 DBED N#CCN1C[C@H]2C[C@@H]3CN(C(=O)c4cc[n+]([O-])cc4)C[C@@]3(C1)O2 1070751349 HXFZQZKZAINQKU-IIAWOOMASA-N 314.345 -0.241 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CCCN(C(=O)c2c[nH]c(C(N)=O)c2)C1 1070759146 JYDNNHXBDWUAMR-MWLCHTKSSA-N 317.349 -0.006 30 20 DBED N#CCSCC(=O)N[C@@H]1CCCN(C(=O)Cn2ncnn2)C1 1070775933 YOFAIMJVMRKURG-SNVBAGLBSA-N 323.382 -0.963 30 20 DBED CC#CCN1C[C@H]2C[C@H]3CN(C(=O)[C@@H]4COC(=O)N4)C[C@@]3(C1)O2 1070793785 PXPRRFFCAAAAOK-RSUWNVLCSA-N 319.361 -0.580 30 20 DBED C#CCCN1C[C@H]2C[C@@H]3CN(C(=O)Cn4nccn4)C[C@@]3(C1)O2 1070806266 HTZFMCXFSRUNMN-IIAWOOMASA-N 315.377 -0.397 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)Cc4cncn4C)C[C@@]3(C1)O2 1070879262 OYJZDSVQFOOCDN-FRFSOERESA-N 314.389 -0.103 30 20 DBED CC[C@@H](C(=O)N1CCC(=O)NCCN(CC#N)CC1)N(C)C 1070999878 DMNCUANHPVSRFS-ZDUSSCGKSA-N 309.414 -0.499 30 20 DBED C#CCCN1CCNC(=O)CCN(C(=O)c2cccnn2)CC1 1071010453 LYLUUFSYFSNSMB-UHFFFAOYSA-N 315.377 -0.236 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)CNC(=O)C2CC2)C[C@H]1C 1071687964 OSOVAXCQPLNCGX-DGCLKSJQSA-N 323.393 -0.322 30 20 DBED CC(C)c1nnnn1CC(=O)N1CC2(CCN(CC#N)C2)C1 1073044434 UDOJDVVOCORBBO-UHFFFAOYSA-N 303.370 -0.146 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)[C@@H]2COCCN2CC)C1 1073670963 SSIIJOWMXUUFHQ-CABCVRRESA-N 309.410 -0.453 30 20 DBED C=CCOCCCC(=O)N1CC[C@H](NC(=O)C(N)=O)[C@@H](C)C1 1074176755 ZTESDMWAJNPVNL-RYUDHWBXSA-N 311.382 -0.192 30 20 DBED Cn1ccc(C(=O)N2CC[C@H]3OCCN(CC#N)[C@@H]3C2)cc1=O 1074280096 XWNOMJGDURZMTO-ZIAGYGMSSA-N 316.361 -0.176 30 20 DBED C=CCOCC(=O)NCC[C@H](C)NC(=O)c1c[nH]c(=O)cn1 1075919006 PFBWRJOAQOBFJN-JTQLQIEISA-N 308.338 -0.403 30 20 DBED N#Cc1ccc(CNC[C@@H]2CN(C(=O)C(N)=O)CCCO2)s1 1078456813 HPTAXFDMHCFJBD-SNVBAGLBSA-N 322.390 -0.188 30 20 DBED N#CCN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)c1nnc(O)nc1O)C2 1078988433 CPLKHCBITCFHDM-IWSPIJDZSA-N 304.310 -0.611 30 20 DBED CC#CCN1C[C@@H](NC(=O)Cn2ccc(O)nc2=O)[C@H](C)C1 1080062956 HVAFAONNQNFCQV-VXGBXAGGSA-N 304.350 -0.591 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@H](CNC(=O)c2ncc[nH]2)C1 1081454852 FQCKGNCZMOSVPE-NEPJUHHUSA-N 304.350 -0.382 30 20 DBED CC#CCN1C[C@@H](NC(=O)c2ccnn2CCOC)[C@H](OC)C1 1081833763 AZYALIIBYXWHJI-UKRRQHHQSA-N 320.393 -0.018 30 20 DBED C=C(C)CN1C[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)[C@H](OC)C1 1082351330 ONUDYXGOMJGFIT-CHWSQXEVSA-N 323.397 -0.718 30 20 DBED CC#CCN1C[C@@H](NC(=O)c2cn(C)c(=O)n2C)[C@H](OC)C1 1082387869 ZGQGHJBXBDRERO-DGCLKSJQSA-N 306.366 -0.824 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CCc1ncccn1 1083226537 KUJLVDHUAYOZBG-UONOGXRCSA-N 300.362 -0.046 30 20 DBED C#CCN1CCC(C(=O)N2C[C@H]3CCN(CCO)C[C@H]32)CC1 1084850334 WSRCORREAOVANL-HZPDHXFCSA-N 305.422 -0.143 30 20 DBED Cn1cnn(CC(=O)N2CCCCC[C@H](NCC#N)C2)c1=O 1088339076 WDCFEURHBIDZSN-LBPRGKRZSA-N 306.370 -0.534 30 20 DBED N#CCN1CC[C@H](NC(=O)c2cccc3nc(O)[nH]c23)[C@H](O)C1 1090334022 OCTZEKYRXRTNJS-CMPLNLGQSA-N 315.333 -0.043 30 20 DBED Cc1ccnc(N2C[C@@H](O)[C@H](NC(=O)CSCC#N)C2)n1 1090373280 BMYMHBIGHMQYPW-GHMZBOCLSA-N 307.379 -0.293 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2c(O)nnc(C)c2C)[C@H](O)C1 1090478483 FYVNPXKXCKIRSM-CHWSQXEVSA-N 318.377 -0.013 30 20 DBED CN(C)CCCC(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1O 1090522307 GNWAXAHMNDEKGL-CHWSQXEVSA-N 318.381 -0.644 30 20 DBED C=CCCN1CC[C@H](NC(=O)c2cc(C(N)=O)c[nH]2)[C@@H](O)C1 1090674954 CHDILFSLWVVZCC-AAEUAGOBSA-N 306.366 -0.145 30 20 DBED Cc1ccnc2nc(C(=O)N[C@H]3CCN(CC#N)C[C@H]3O)nn12 1090772902 CEZJDGSKJXNSAN-WDEREUQCSA-N 315.337 -0.879 30 20 DBED N#Cc1ccc(N[C@H]2C[C@@H](CNC(=O)Cn3ncnn3)C2)cn1 1091371876 OKFDZXWSTHLOJH-GSJFWJNXSA-N 312.337 -0.053 30 20 DBED CSCC(=O)N[C@@H]1CCN(c2cncc(C#N)n2)C[C@@H]1O 1092147849 JRPQDZSDTKWJKP-MNOVXSKESA-N 307.379 -0.233 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(c2nccc(OC)n2)C[C@@H]1O 1092153442 IAEPPCPLNMUQQI-RYUDHWBXSA-N 322.365 -0.256 30 20 DBED N#Cc1nccc(N2C[C@H]3C(NC(=O)C4(C(N)=O)CC4)[C@@H]3C2)n1 1093355983 ITQJYCHQHUAVAR-RKDXNWHRSA-N 312.333 -0.835 30 20 DBED N#Cc1cncc(N2C[C@@H]3C(NC(=O)CCc4cnn[nH]4)[C@H]3C2)n1 1093361576 PFCLOOVGYHWRTI-RYUDHWBXSA-N 324.348 -0.350 30 20 DBED N#Cc1cncc(NCCNC(=O)[C@H]2CCCCS2(=O)=O)n1 1093922894 PIDFRIQPHHXGGI-LLVKDONJSA-N 323.378 -0.156 30 20 DBED Cc1nc(NCCNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)ccc1C#N 1094136251 BGGQAMYHJUNVFQ-NWDGAFQWSA-N 317.349 -0.177 30 20 DBED N#Cc1nccnc1NCCCNC(=O)[C@H]1CCCS1(=O)=O 1094445114 BGILZGHRJQMHRA-LLVKDONJSA-N 323.378 -0.156 30 20 DBED C#CCN1CCN(C(=O)c2ocnc2C)[C@@H]2CS(=O)(=O)C[C@@H]21 1094619974 PBVYCKKAKACAHV-NWDGAFQWSA-N 323.374 -0.460 30 20 DBED CC#CCN1CC(N2C[C@H](NC(=O)c3csnn3)CC2=O)C1 1094767298 YGUPZCBWZBYEJF-SNVBAGLBSA-N 319.390 -0.424 30 20 DBED C#CCCN1CC(N2C[C@@H](NC(=O)c3c[nH]nc3C)CC2=O)C1 1094768255 SBHJAOKIHNCMFE-LBPRGKRZSA-N 315.377 -0.244 30 20 DBED CC(=O)NCC(=O)N1CC[C@@H](N(C)c2nc(C)cc(C#N)n2)C1 1095088049 MAAXNFGGVJBNKK-CYBMUJFWSA-N 316.365 -0.170 30 20 DBED COC(=O)NCC(=O)N1CCCN(c2cncc(C#N)n2)CC1 1095168196 PKJNIIJVTGXJTE-UHFFFAOYSA-N 318.337 -0.257 30 20 DBED CN(CCCNC(=O)c1ncn(C)n1)c1cnc(C#N)cn1 1095537586 XSVZKKFWYSFGMM-UHFFFAOYSA-N 300.326 -0.267 30 20 DBED CN(CCCNC(=O)CCCC(N)=O)c1ccc(C#N)nn1 1095580806 SLZIWNOKWZBFHC-UHFFFAOYSA-N 304.354 -0.054 30 20 DBED C[C@H](NC(N)=O)C(=O)N[C@@H]1CCN(c2cncc(C#N)n2)C1 1096356355 SZYCLRIOGFZHNG-DTWKUNHWSA-N 303.326 -0.900 30 20 DBED N#Cc1cncc(N[C@H](CNC(=O)CCNC(N)=O)C2CC2)n1 1096668998 MJHZEUBGZXRMIO-LLVKDONJSA-N 317.353 -0.287 30 20 DBED CNC(=O)NCCC(=O)NC[C@@H](C)N=c1cc(C)[nH]cc1C#N 1097805448 DRKNFTSFPPEJED-LLVKDONJSA-N 318.381 -0.081 30 20 DBED CCN1CCOC[C@@H]1C(=O)NC[C@@H](C)Nc1cncc(C#N)n1 1098129125 VYNULMCSUGOJIU-DGCLKSJQSA-N 318.381 -0.014 30 20 DBED C[C@H](CC(N)=O)C(=O)N1CC[C@H](CN=c2cc[nH]c(C#N)n2)C1 1098568930 VHKPLOGUHRJFQD-GHMZBOCLSA-N 316.365 -0.458 30 20 DBED C[C@@H](CCNC(=O)CS(C)(=O)=O)Nc1nccnc1C#N 1098851925 GWZWQEMRKUQPAO-VIFPVBQESA-N 311.367 -0.300 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)c2n[nH]cc2C)[C@H](O)C1 1099813831 VISPJENKBOXUIX-NWDGAFQWSA-N 321.381 -0.815 30 20 DBED O=C(C#CC1CC1)N[C@H]1CCN(CC(=O)N2CCCC2)C[C@H]1O 1099823567 FMGACBMOPLUKIZ-LSDHHAIUSA-N 319.405 -0.426 30 20 DBED CC#CCN1CC[C@@H](NC(=O)C(=O)NCC(F)(F)F)[C@@H](O)C1 1100053043 IUHRYBNFSHCHIT-ZJUUUORDSA-N 321.299 -0.760 30 20 DBED C=CCN1CC[C@H](NC(=O)COC2CCN(C)CC2)[C@H](O)C1 1100056523 WACIGWDQRVPGEN-LSDHHAIUSA-N 311.426 -0.165 30 20 DBED CC#CCN1CC[C@H](NC(=O)C2(C(=O)N(C)C)CC2)[C@@H](O)C1 1100071951 MPUYUQUUCPSIAM-STQMWFEESA-N 307.394 -0.571 30 20 DBED C=CCNC(=O)CNC1CC(CNC(=O)[C@@H]2CN(C)CCO2)C1 1100212233 UFTXBFZSKRUGDN-RUXDESIVSA-N 324.425 -0.896 30 20 DBED CO[C@@H](C(=O)NCCN(C)c1cnc(C#N)cn1)[C@H]1CCOC1 1100251047 ZFLFWFZOLPWWIN-SMDDNHRTSA-N 319.365 -0.048 30 20 DBED N#Cc1nccc(N2CCC[C@@H]2CNC(=O)Cn2cncn2)n1 1100833366 OZQVEZPXQPDXKW-LLVKDONJSA-N 312.337 -0.275 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)c1ccn(C)c(=O)c1 1102027729 VLTSDYAYWRKKDV-UHFFFAOYSA-N 312.333 -0.347 30 20 DBED C[C@H](CNC(=O)c1c[nH]c(=O)cn1)CNc1nccnc1C#N 1104167157 MTZCFDSYESJRHS-VIFPVBQESA-N 313.321 -0.090 30 20 DBED C=CCNCc1cn(C2CN(C(=O)C[C@@H](C)NC(N)=O)C2)nn1 1105237998 GMOHFWHZCFHAOE-SNVBAGLBSA-N 321.385 -0.616 30 20 DBED CN(CCN(C)c1ccc(C#N)nc1)C(=O)CCn1cnnn1 1105446017 IUPZYCVIAJRSNT-UHFFFAOYSA-N 314.353 -0.075 30 20 DBED CN1C[C@@H](C(=O)N(C)CCN(C)c2nccnc2C#N)NC1=O 1105536261 UEGSUPLQLIVULB-NSHDSACASA-N 317.353 -0.734 30 20 DBED CCO[C@@H](C(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1)C1CC1 1105974698 FZZRKVLKNJQLIR-SMDDNHRTSA-N 319.365 -0.526 30 20 DBED CCC(=O)N[C@H](C)C(=O)NC[C@H](O)CNc1ccc(C#N)nn1 1106140577 MCSBEDILYTVTHX-MWLCHTKSSA-N 320.353 -0.848 30 20 DBED C#CCNC(=O)CC(=O)N(CC)CCN=c1cc[nH]c(C#N)n1 1106730123 GAERGDSTIPRCPS-UHFFFAOYSA-N 314.349 -0.830 30 20 DBED CCN(CCNc1nc(C)cc(C#N)n1)C(=O)c1nnn(C)n1 1106919103 WJHUIDUQGIOMGD-UHFFFAOYSA-N 315.341 -0.246 30 20 DBED C=CCN1CC(n2cc(CNC(=O)[C@H](C)NC(=O)CC)nn2)C1 1107173376 ABDMZRADQPAPEL-NSHDSACASA-N 320.397 -0.148 30 20 DBED C=C(Cl)CN1CCO[C@](C)(CNC(=O)Cn2cnnn2)C1 1107727932 MAHGNNWJWUCIKP-GFCCVEGCSA-N 314.777 -0.367 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)c1cccc(=O)n1C 1108687137 KXRQUVDOLTWMHO-JTQLQIEISA-N 312.333 -0.301 30 20 DBED C[C@@H](CN(C)c1cncc(C#N)n1)NC(=O)C[C@@H](C)NC(N)=O 1109097425 MVCUAPGWHADZPD-ZJUUUORDSA-N 319.369 -0.264 30 20 DBED CC(=O)N[C@H](C)C(=O)NCC1(Nc2ccnc(C#N)n2)CC1 1110056006 CQHRJABWBVEFSA-SECBINFHSA-N 302.338 -0.066 30 20 DBED COCCC(=O)NC[C@]1(O)CCN(c2ccnc(C#N)n2)C1 1111015373 CMGJLQJCODYSKH-CQSZACIVSA-N 305.338 -0.558 30 20 DBED C=CCOCC(=O)NC[C@@]1(O)CCN(c2ccc(C#N)nn2)C1 1111039581 KJWOJMZLSATHQU-HNNXBMFYSA-N 317.349 -0.392 30 20 DBED C#CCOCCC(=O)NC[C@]1(O)CCN(c2ncc(F)cn2)C1 1111097566 BWCDDFJGEGVWCO-OAHLLOKOSA-N 322.340 -0.287 30 20 DBED C[C@@H](C#N)C(=O)N[C@]12CCC[C@H]1CN(CC(=O)NC(N)=O)C2 1111666866 NSYCRLBZPZHZNA-BHDSKKPTSA-N 307.354 -0.688 30 20 DBED CN(CCCN(C)c1cncc(C#N)n1)C(=O)CNC(N)=O 1112033923 HVDDWAGAYUOKDX-UHFFFAOYSA-N 305.342 -0.699 30 20 DBED C=CCCC(=O)N1CCN(Cc2nc(CC(=O)NC)no2)CC1 1112688593 UATNEOFBMFHXSV-UHFFFAOYSA-N 321.381 -0.032 30 20 DBED C[C@H](N=c1cc[nH]c(C#N)n1)[C@H](C)NC(=O)CS(C)(=O)=O 1112926959 WMAQRSCMQMIHMW-IUCAKERBSA-N 311.367 -0.880 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)[C@@H](OC)C(C)C)CC1 1113297985 RMGQMDVZJXYBSJ-KBPBESRZSA-N 309.410 -0.061 30 20 DBED C[C@H](CNC(=O)[C@H]1CCC(=O)NC1)N(C)c1cnc(C#N)cn1 1113961616 RTYZAIXIQZLTAF-MNOVXSKESA-N 316.365 -0.185 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)CCc3cnc[nH]3)[C@H]2C1 1114384688 PYSRWDSCJVAHPG-VIKVFOODSA-N 317.393 -0.309 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)C3(COC)CC3)[C@H]2C1 1114567749 CAFZLAYKFQFOPB-MQYQWHSLSA-N 319.405 -0.403 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)COCC(F)F)[C@H]2C1 1114619423 WITVUUUOKATBQX-MSRIBSCDSA-N 315.320 -0.936 30 20 DBED C=C(C)CN1C[C@H]2C(NC(=O)COCc3ncnn3C)[C@@H]2C1 1115045883 BFZUUFXRZZLPNZ-VXGBXAGGSA-N 305.382 -0.046 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2[C@@H]3CN(C[C@@H](O)COC)C[C@@H]32)nc1 1115139921 NLLUTZUDGMNPST-NYTXWWLZSA-N 315.373 -0.270 30 20 DBED CC(=O)NCC(=O)NCCOCCN(C)c1ccnc(C#N)n1 1115160790 GQAMPQZVCYDMPC-UHFFFAOYSA-N 320.353 -0.947 30 20 DBED N#CCCNC(=O)CN1CCN(C(=O)c2ccc(O)nc2)CC1 1116428385 UPLOFWPIRLQWNO-UHFFFAOYSA-N 317.349 -0.425 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CC(OCC(F)F)C1)[C@@H]1CCCO1 1119155341 GDRHJXIUEXQMIL-QWRGUYRKSA-N 316.304 -0.224 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CC[C@H](CF)C1 1119557908 HYCTVDSMUIQDQN-SNVBAGLBSA-N 306.359 -0.479 30 20 DBED N#CCCCCS(=O)(=O)NC1CCN(CC(N)=O)CC1 1119600529 VJEMWOMORNMJDB-UHFFFAOYSA-N 302.400 -0.451 30 20 DBED Cc1cc(=N[C@@H](CO)CNC(=O)COCC2CC2)c(C#N)c[nH]1 1121093181 YPUDMFPYWSPAMN-CQSZACIVSA-N 318.377 -0.001 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H](CO)N=c2cc[nH]cc2C#N)c1 1121265008 FYQDLGPXHGUPPP-GFCCVEGCSA-N 310.317 -0.222 30 20 DBED N#Cc1cnc(N[C@H](CO)CNC(=O)Cc2cccnc2)cn1 1121446314 JXXDEHHDQFUNRE-ZDUSSCGKSA-N 312.333 -0.125 30 20 DBED CNC(=O)C1(C(=O)NC[C@H](CO)Nc2ccc(C#N)cn2)CC1 1121757398 TYUVGGNHPVCPGV-LLVKDONJSA-N 317.349 -0.632 30 20 DBED C#CCOCCC(=O)NC[C@H](CO)Nc1cc(OCC)ncn1 1122027160 GBRQRIOSWAOBFO-GFCCVEGCSA-N 322.365 -0.196 30 20 DBED Cc1ccnn1CC(=O)NC[C@H](CO)N=c1cc[nH]cc1C#N 1122688814 VAYXXEDWCRWSTP-CYBMUJFWSA-N 314.349 -0.531 30 20 DBED CNC(=O)CC(=O)N1C[C@@H](N=c2cc[nH]c(C#N)n2)C(C)(C)C1 1123933547 JCHSMPMSQBVFMU-SNVBAGLBSA-N 316.365 -0.445 30 20 DBED CN(C[C@H](O)CNc1cncc(C#N)n1)C(=O)[C@@H]1CCCO1 1124066380 VEGMBPZHBASHRC-NEPJUHHUSA-N 305.338 -0.242 30 20 DBED Cc1c[nH]c(C(=O)N(C)C[C@H](O)CNc2cncc(C#N)n2)n1 1124828060 HWYHEPWMXBSGMY-LLVKDONJSA-N 315.337 -0.075 30 20 DBED C#CCOCCC(=O)N(C)C[C@H](O)CN(C)c1cnc(F)cn1 1125162784 UMZHGGYPONDFJQ-GFCCVEGCSA-N 324.356 -0.089 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)C1=CCOCC1 1126114324 HWVCOKAHOCBSPJ-UHFFFAOYSA-N 310.354 -0.949 30 20 DBED C#CCO[C@@H](C)C(=O)NCCNCC(=O)Nc1cc(C)no1 1127039204 FWRWNZWXIUVWTB-NSHDSACASA-N 308.338 -0.334 30 20 DBED CN(CCOCCNc1nccnc1C#N)C(=O)c1cnon1 1127351482 LOUIXZOHSIVOPK-UHFFFAOYSA-N 317.309 -0.068 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)CNC(=O)C1CCCC1 1127956915 PORHAHWJKQREHJ-LBPRGKRZSA-N 322.409 -0.864 30 20 DBED COCC#CCN1CCn2ncc(CNC(=O)[C@H](C)OC)c2C1 1128234803 MQUWWLOXEJTGFO-ZDUSSCGKSA-N 320.393 0.000 30 20 DBED C=C(C)[C@@H](CC(=O)NCCN[C@H]1CCC(=O)NC1=O)OCC 1128528653 QUXODZBKCRKSRV-NWDGAFQWSA-N 311.382 -0.131 30 20 DBED C=CCNC(=O)CNCCNC(=O)C[C@H]1CCOC[C@@H]1OC 1129207638 JRNHTHURPQOADY-OLZOCXBDSA-N 313.398 -0.564 30 20 DBED CC[C@H](NC(C)=O)C(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1 1129279780 KLODULYQCSRWOF-XQQFMLRXSA-N 319.369 -0.942 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1c[nH]nc1[C@H]1CCCO1 1132779911 MLJTXOCBUCHJEE-GFCCVEGCSA-N 321.381 -0.117 30 20 DBED C=CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)c1nccnc1N 1133952852 FMWRAWQGSOAGAR-MNOVXSKESA-N 320.397 -0.153 30 20 DBED C#CCN[C@H](C)C[C@H](C)NC(=O)CN(C)S(=O)(=O)CC 1135821078 KNSHOPZORHTHST-NEPJUHHUSA-N 303.428 -0.226 30 20 DBED C[C@H](C[C@@H](C)NC(=O)c1cn(CC(=O)N(C)C)nn1)NCC#N 1146583557 MQMYZVYBHLBXPN-GHMZBOCLSA-N 321.385 -0.624 30 20 DBED COCC#CCN1CCC2(C1)CN(C(=O)CO[C@@H]1CCOC1)C2 1147540903 AFJPWZCAFOIBHU-OAHLLOKOSA-N 322.405 -0.024 30 20 DBED CC(=O)N1CC[C@@](C)(C(=O)NC[C@H]2CN(CC#N)CCCO2)C1 1150553541 LYLKTQIDQKMRIR-GOEBONIOSA-N 322.409 -0.024 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)c1cnnn1CC 1153176198 DEEHPMVZFVRNMV-GFCCVEGCSA-N 320.397 -0.512 30 20 DBED CCN(CC(=O)NC(=O)NC)[C@H](C)CNC(=O)C#CC1CC1 1153232323 BULZNAYTTWYBDL-LLVKDONJSA-N 308.382 -0.318 30 20 DBED C=CCNC(=O)NC(=O)CNCCCNC(=O)c1cccnc1 1154175400 NRPLHQHDEVFKIR-UHFFFAOYSA-N 319.365 -0.197 30 20 DBED C#CCCN(CC)[C@H](C)CNC(=O)CCCS(N)(=O)=O 1154957340 DHIREFCPENJNKG-GFCCVEGCSA-N 303.428 -0.095 30 20 DBED C#CCOCCC(=O)NCCCN[C@H]1CCN(CC=C)C1=O 1157846301 RDOQEJUXKLSEFX-AWEZNQCLSA-N 307.394 -0.091 30 20 DBED C#CCN1CCC(CNC(=O)[C@H]2COC(=O)N2)(COC)CC1 1162242521 VLOBHTGTHOCPLO-GFCCVEGCSA-N 309.366 -0.427 30 20 DBED COCC1(CNC(=O)[C@@H]2CCCNC2=O)CCN(CC#N)CC1 1162306643 RNBPFIQFQMKHGM-CYBMUJFWSA-N 322.409 -0.119 30 20 DBED C=CCOCCNCCCNC(=O)[C@H](C)NS(C)(=O)=O 1167323860 NDAATFNUGUFGAL-NSHDSACASA-N 307.416 -0.777 30 20 DBED C#CCNC(=O)CNCCCC[C@@H](C)NC(=O)Cn1cccn1 1169156543 DTTACJCKFWGNQV-CQSZACIVSA-N 319.409 -0.103 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)c1coc(COC)n1 1169632716 NIDQUWDPZUSRGG-NSHDSACASA-N 322.365 -0.332 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)c2ccnnc2)[C@H]1C 1179598447 HGPMEUBLCVWRGS-OBJOEFQTSA-N 315.377 -0.193 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CN3CCC2CC3)C1 1182623079 DOGSHPJFCVCUAC-HUUCEWRRSA-N 318.421 -0.732 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)C2(C)CCOCC2)C1 1186363212 URYLPNXOXVLOQD-CYBMUJFWSA-N 307.394 -0.257 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)C[C@H]2CCN(C)C2)C1 1187083794 QOMOITUMOSFRBG-ZIAGYGMSSA-N 306.410 -0.732 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@@H]2CCN(C(=O)CC(N)=O)[C@@H]2C1 1187397708 MGAWDBWFDDPNKY-GRYCIOLGSA-N 308.382 -0.915 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@H]2CN(CC(=O)NCC#N)C[C@H]21 1187881836 DYPWOASIFFXFOQ-HZSPNIEDSA-N 318.377 -0.803 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](N(C)CCC[C@@H](C)O)C1 1189759689 BRIOWBBPOSKYGT-KGLIPLIRSA-N 309.410 -0.180 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 1192355287 QNXPXFKOICVCLO-LSDHHAIUSA-N 320.437 -0.390 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(Cc2ccnn2C)C[C@H]1O 1192525435 UQKADRMIPFUUBM-NFAWXSAZSA-N 308.382 -0.592 30 20 DBED CC#CCN(C)[C@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)C1 1193450381 GCWJVNXOXLNRGB-NSHDSACASA-N 314.349 -0.413 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)c2cc(OCC)n[nH]2)C1 1194015162 FGEGFKYLPPYDTL-CHWSQXEVSA-N 324.381 -0.214 30 20 DBED C[C@@H](C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1O)C1CCC1 1194023567 LCGNHBQPDGKUGG-RAIGVLPGSA-N 308.382 -0.776 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)[C@H](OC)c2cnn(C)c2)C1 1195029102 AIIWSPYKHIFVSH-MGPQQGTHSA-N 308.382 -0.155 30 20 DBED C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 1195691109 GWPZIMASEGIUIO-YNEHKIRRSA-N 310.398 -0.425 30 20 DBED COCC#CCN1CCCN(C(=O)[C@@H]2CCC(=O)NC2)CC1 1196388406 KQBJLYSWSQHEHY-CQSZACIVSA-N 307.394 -0.303 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)[C@H](C)CCCOC)C1 1197558455 CBKRHEXANOKLLT-RBSFLKMASA-N 312.410 -0.140 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)c2[nH]cnc2C)C1 1199531749 GINGICBKYNJQLO-QJPTWQEYSA-N 321.381 -0.816 30 20 DBED C[C@H](C#N)C(=O)N1CCC(NCC(=O)NC[C@@H]2CCOC2)CC1 1199816228 HMCHPPXWDQXFMB-OLZOCXBDSA-N 322.409 -0.121 30 20 DBED CC(C)NC(=O)CNC[C@H]1CN(C(=O)[C@@H](C)C#N)CCCO1 1200114376 CWSLGAWGDJTYMP-STQMWFEESA-N 310.398 -0.122 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)C2CN(C(C)=O)C2)CC1 1200224627 GYGMATUCIJDTPN-UHFFFAOYSA-N 322.409 -0.653 30 20 DBED N#CCNC[C@@H]1CN(C(=O)[C@@H]2CCCCN2C(N)=O)CCCO1 1201823123 GKTYWHVLZKOXOR-OLZOCXBDSA-N 323.397 -0.350 30 20 DBED CC(=O)N1CCC(C(=O)N2CCCO[C@H](CNCC#N)C2)CC1 1202030712 WIJYEANKZIGOQB-OAHLLOKOSA-N 322.409 -0.024 30 20 DBED C#CCCN[C@H]1C[C@H](NC(=O)CN2CCOCC2=O)C12CCC2 1203030471 ZBYMHMOLZBEOIW-KBPBESRZSA-N 319.405 -0.115 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CN(CC(=O)NC2CCOCC2)C[C@H]1C 1206640219 FKUOGVBAYQEASD-YRGRVCCFSA-N 322.409 -0.122 30 20 DBED C=CCOCCN1C[C@@H](NC(=O)[C@H]2COCCN2C)[C@H](C)C1 1206881331 YHEWHPUVGYHNEE-RBSFLKMASA-N 311.426 -0.044 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CN(Cc2nsc(N(C)C)n2)C[C@@H]1O 1219379639 VUJXOIHEQACFMT-BBBLOLIVSA-N 324.410 -0.575 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2ccc(F)cn2)C[C@@H]1O 1219605647 YNDLHUKTITXBKM-GLQYFDAESA-N 321.352 -0.080 30 20 DBED Cn1nnnc1CN1CC[C@@H]2CN(C(=O)CSCC#N)[C@@H]2C1 1221294147 HBNUZBOPPWRVPV-GHMZBOCLSA-N 321.410 -0.500 30 20 DBED C#CCN1CCC(CNC(=O)CN(C)CC(=O)NC(C)C)CC1 1223725952 BOHBADPJOWFXRX-UHFFFAOYSA-N 322.453 -0.096 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cn[nH]c1 1224966668 BZXASQQDDRYITN-CHWSQXEVSA-N 303.366 -0.210 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC(NC(=O)CN(C)C(C)=O)CC1 1226161000 BVINMZBFJBYDSZ-LBPRGKRZSA-N 322.409 -0.817 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)C[C@H]2COC(=O)C2)CC1 1226866200 DWJMMJFZRGGHLH-GFCCVEGCSA-N 321.377 -0.730 30 20 DBED CO[C@H](C(=O)NC1CCN(CC(=O)NCC#N)CC1)C(C)C 1228992877 ZLIBIERFWGZGES-AWEZNQCLSA-N 310.398 -0.122 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)CN2CCC[C@H]2C)CC1 1229185937 QPHAQCHFLLQOOD-CQSZACIVSA-N 320.437 -0.199 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1nc[nH]n1 1229194852 RQEQFRQRCGTVKL-GHMZBOCLSA-N 304.354 -0.815 30 20 DBED CO[C@H](C(=O)N(C)C[C@@H]1CCN1CC(=O)NCC#N)C1CC1 1234049979 NEQLHRPCQMFWBT-JSGCOSHPSA-N 308.382 -0.416 30 20 DBED CC(C)[C@@](C)(C#N)NC(=O)CN1CCC2(CC1)NC(=O)NC2=O 1253731529 UPIJUYLZHOJXEV-CQSZACIVSA-N 321.381 -0.285 30 20 DBED C=C[C@@H](COC)NC(=O)N1CCC[C@H]1CS(=O)(=O)NC 1255014440 XXRFJBTVMZAJII-QWRGUYRKSA-N 305.400 -0.089 30 20 DBED C=CCSCCNC(=O)C(=O)N1CCOC[C@@H]1CCO 1262230451 FNNCDCCTRQTUCY-NSHDSACASA-N 302.396 -0.368 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@H](NCC(=O)NCC)C1 1265435662 OQCGCACXYWUWNX-KBPBESRZSA-N 306.410 -0.589 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)c2cn(C)nc2CC)C1 1318257476 MJWDVIJHNIIJGY-LBPRGKRZSA-N 317.393 -0.464 30 20 DBED C[C@@H](O)c1cn(CC(=O)OCC(=O)N[C@@](C)(C#N)C2CC2)nn1 1320107134 ITZAQPKFPLCZCU-OTYXRUKQSA-N 321.337 -0.317 30 20 DBED C=CCNC(=O)CNC(=O)NC[C@H]1CCCS(=O)(=O)C1 1323187167 IUTLVDDHTQUNLD-SNVBAGLBSA-N 303.384 -0.587 30 20 DBED COCCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)NCCCC#N 1323341811 BUZNYXIQTYHHEK-NWDGAFQWSA-N 313.354 -0.657 30 20 DBED C=CCCC[C@H](C)NC(=O)C(=O)NCCS(=O)(=O)NC 1323510041 BAMIBAHUDXRCKA-JTQLQIEISA-N 305.400 -0.487 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N(C)Cc1ccco1 1323764427 CMNIPYKCBNRZKD-UHFFFAOYSA-N 314.363 -0.045 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N[C@@H]1CCN(C(C)(C)C)C1=O 1326452290 TXWZXNXYGRUTRR-CYBMUJFWSA-N 317.389 -0.013 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@@H](C)COCCOC)[C@H]1CCCO1 1326965766 NXVLXUJQBRFNLH-RWMBFGLXSA-N 312.366 -0.549 30 20 DBED CCNC(=O)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N 1327913122 YZPCYPPVFQOMJL-UHFFFAOYSA-N 320.353 -0.299 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N1CCOC[C@@H]1CCO 1341709208 UPYOMPXAEFPLHX-OLZOCXBDSA-N 312.366 -0.859 30 20 DBED C=CCNC(=O)CNC(=O)Cc1ccc(S(N)(=O)=O)cc1 1341875047 GMDLDVIXUPIKCH-UHFFFAOYSA-N 311.363 -0.705 30 20 DBED C[C@H](CC#N)NC(=O)C(=O)Nc1ccc(OCC(N)=O)cc1 1343334426 DSVILURFDOHQRT-SECBINFHSA-N 304.306 -0.092 30 20 DBED C=CCC1(O)CCN(c2nnnn2CCN2CCNC2=O)CC1 1344404367 SDTAKUOLKABOBA-UHFFFAOYSA-N 321.385 -0.394 30 20 DBED C#CCNC(=O)C1CCN(C(=O)c2c([N+](=O)[O-])cnn2C)CC1 1344706145 KBGKUNQQIVIBGM-UHFFFAOYSA-N 319.321 -0.070 30 20 DBED Cc1cc(C#N)cnc1C(=O)N1CCC(O)(c2nn[nH]n2)CC1 1363029538 RHLQZDHUQSAABU-UHFFFAOYSA-N 313.321 -0.101 30 20 DBED C=C(Cl)CN(C)CCNC(=O)c1c[nH]nc1S(N)(=O)=O 1366564218 QHBKDQFPWLXKRV-UHFFFAOYSA-N 321.790 -0.529 30 20 DBED CNC(=O)CNC[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCO1 1368517274 MCASHOQEZMXUCR-LLVKDONJSA-N 305.338 -0.937 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](C)C1CCN(C(=O)CCNC(N)=O)CC1 1374340318 YRJYCYHLBKINNS-WDEREUQCSA-N 323.397 -0.052 30 20 DBED CC(=O)N[C@H](C)C(=O)NCCN(C)C(=O)c1ccc(C#N)[nH]1 1387614485 OTMOHCUBZQIBLD-SECBINFHSA-N 305.338 -0.401 30 20 DBED COCC(=O)N(C)CC(=O)NC[C@H]1CCCN1C(=O)[C@H](C)C#N 1399280609 RBSYCQUJNIQAOU-VXGBXAGGSA-N 324.381 -0.642 30 20 DBED CSc1nc(O)c(C(=O)N[C@@H]2C[C@H](O)[C@H](O)C2)cc1C#N 1412640622 QARZQSUDIJQBEC-LETLQTKMSA-N 309.347 -0.005 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)CCCn1cccn1 1416766658 REYROXLETKPNEI-RYUDHWBXSA-N 307.354 -0.584 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)CNC(=O)N2CCCC2)CC1 1417137391 BTWHLXGFCFKILZ-LLVKDONJSA-N 321.381 -0.284 30 20 DBED CCN1C[C@H](C)N(C(=O)Cn2cc(C#N)c(O)nc2=O)C[C@@H]1C 1417698798 YSNUAWSBNVQPRQ-QWRGUYRKSA-N 319.365 -0.238 30 20 DBED C=C(Cl)CN1CCO[C@H](CNC(=O)CS(C)(=O)=O)C1 1419557870 UPDJVVDUCFZOSY-SNVBAGLBSA-N 310.803 -0.400 30 20 DBED C=C(Cl)CNC[C@@H](O)CNC(=O)CCn1cnccc1=O 1420188472 VMYFNDKPUDNFHS-LLVKDONJSA-N 314.773 -0.547 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(O)(CNCc2nncn2C)CC1 1422098836 PDOKYVLUKJBTMZ-NSHDSACASA-N 306.370 -0.582 30 20 DBED COCCN(CCNC(=O)[C@H](C)C#N)C(=O)[C@H]1CCN(C)C1 1426072044 PUVGQMXBGYGIEI-OLZOCXBDSA-N 310.398 -0.311 30 20 DBED COc1cncc(C(=O)N2CC[C@@H](NC(=O)[C@@H](C)C#N)C2)n1 1429515198 HAVJTMBPTDBTLL-VHSXEESVSA-N 303.322 -0.024 30 20 DBED C[C@H](NC(N)=O)C(=O)NCC1CCN(C(=O)[C@H](C)C#N)CC1 1429729008 VKFWQPUPCSCGBR-ZJUUUORDSA-N 309.370 -0.442 30 20 DBED Cn1c(C#N)ccc1C(=O)N1CCN(C(C)(C)C(N)=O)CC1 1433738572 QRSUEHLXMROSAI-UHFFFAOYSA-N 303.366 -0.082 30 20 DBED C[C@H](CC(N)=O)C(=O)NC[C@@H](O)CNCc1ccc(C#N)s1 1482757827 RBIWDPHAACZVKB-ZJUUUORDSA-N 324.406 -0.302 30 20 DBED C[C@H](C#N)C(=O)NCCN1CCN(C(=O)c2cnccn2)CC1 1524095235 UFSAIUKDFHISJJ-GFCCVEGCSA-N 316.365 -0.490 30 20 DBED C=C(CCC(=O)O)C(=O)NCCS(=O)(=O)N1CCOCC1 1588624549 MTAKBYSOEWOZNL-UHFFFAOYSA-N 320.367 -0.814 30 20 DBED C[C@H](C(=O)N1CCC[C@H](C#N)C1)n1cnc(-c2nn[nH]n2)n1 1588951671 IRPCHCXAVIAQAZ-RKDXNWHRSA-N 301.314 -0.219 30 20 DBED Cn1cc(-c2nn[nH]n2)c(=O)n(CCc2ccc(C#N)cc2)c1=O 1592558183 SAUDERPTBYAMHX-UHFFFAOYSA-N 323.316 -0.159 30 20 DBED N#Cc1nc(N)n(Cc2n[nH]c3c2COCC3)c1-c1nn[nH]n1 1592704849 RCJSBWIUANARHX-UHFFFAOYSA-N 312.297 -0.639 30 20 DBED COC(=O)C1(C#N)CCN(C(=O)NC[C@H](F)C(=O)O)CC1 1598716973 XDBOMSVRZRCAPY-QMMMGPOBSA-N 301.274 -0.103 30 20 DBED C#CCOCCC(=O)NCC1(NC(=O)[C@H]2C[C@@H]2C(=O)O)CCC1 1602728365 SKGSAZCJAMRNQN-RYUDHWBXSA-N 322.361 -0.098 30 20 DBED Cn1c(=O)[nH]c(N(CCC(=O)O)C[C@@H]2CCCO2)c(C#N)c1=O 1608076124 QQBQLUPBXZWGEL-VIFPVBQESA-N 322.321 -0.595 30 20 DBED Cn1cc(C=NN=c2nc3[nH][nH]cc-3c(O)n2)cc1C(=O)O 1608107521 QIFJCMWUUDOSGP-UHFFFAOYSA-N 301.266 -0.085 30 20 DBED N#Cc1ccc(S(=O)(=O)NCCn2ccnn2)c(C(=O)O)c1 1608211865 NBKFXYJPQGITPX-UHFFFAOYSA-N 321.318 -0.174 30 20 DBED C=C[C@H](O)C(=O)OCC(=O)NCc1cccc(-c2nn[nH]n2)c1 1609052897 UVIVKLMMSKXUFC-NSHDSACASA-N 317.305 -0.427 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)CCc2nc[nH]n2)C1 1713146527 LPHOBYWNEBXTPL-NEPJUHHUSA-N 320.397 -0.382 30 20 DBED C=C(C)CN(CC)C(=O)[C@@H](C)NC[C@H]1CCCN1C(=O)C(N)=O 1714346070 WSTGLCDOPMTIQQ-CHWSQXEVSA-N 324.425 -0.135 30 20 DBED COCC#CCN1CCN(CCCNC(=O)[C@@H]2CCOC2)CC1 1752340017 UXVGUYVEPNTLDH-MRXNPFEDSA-N 323.437 -0.203 30 20 DBED COCC#CCN[C@H](CNC(=O)[C@@H]1CCNC(=O)C1)C1CC1 1752454625 NYRMXPYIYMJPMB-ZIAGYGMSSA-N 307.394 -0.353 30 20 DBED C#CCNC(=O)CNC[C@H]1CCCN(C(=O)Cc2ncc[nH]2)C1 1752808614 GMDWGGSTZRXLMS-CYBMUJFWSA-N 317.393 -0.470 30 20 DBED C=CCOCC(=O)N1CC[C@@H](CN[C@@H](C)c2nnnn2C)C1 1752932615 QAOJUIOJPODWLP-RYUDHWBXSA-N 308.386 -0.088 30 20 DBED C#CCCN(C)[C@H]1CCCN(C(=O)Cn2ncn(C)c2=O)C1 1752993547 IXHJMBZCFMECIT-ZDUSSCGKSA-N 305.382 -0.472 30 20 DBED C#CCO[C@H](C)C(=O)NCCN(CCC)[C@@H]1CCC(=O)NC1=O 1753143324 PACPHLQRFOPGRC-CHWSQXEVSA-N 323.393 -0.342 30 20 DBED C#CCCN[C@H]1CC[C@H](NC(=O)CN2C(=O)CN(C)C2=O)CC1 1753587703 LXYYUZHPOXQECR-JOCQHMNTSA-N 320.393 -0.079 30 20 DBED CC#CCN1CCO[C@@H](CNC(=O)[C@]2(C)CCC(=O)NC2)C1 1753652223 CPFJFETXCOEQEP-XJKSGUPXSA-N 307.394 -0.257 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@@](C)(NC(=O)c2ncc[nH]2)C1 1754669699 GFEXSSDJJKZMRR-IAQYHMDHSA-N 303.366 -0.258 30 20 DBED C=CCN1CC[C@](O)(CNC(=O)c2cnc3[nH]nnc3c2)C1 1754753715 JBDDWJUUGUQVPU-AWEZNQCLSA-N 302.338 -0.295 30 20 DBED C=CCCN1CC(O)(CNC(=O)[C@@]2(C)CCCS2(=O)=O)C1 1754775510 AGNWNNVIRBHANY-CYBMUJFWSA-N 316.423 -0.307 30 20 DBED Cn1ncc2cc(C(=O)N(CCO)CCNCC#N)cnc21 1754895377 WTTXCGCWGFONOH-UHFFFAOYSA-N 302.338 -0.484 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC2(CN(C(=O)CCOC)CCO2)C1 1755046788 JFOMYXMDJYJNPV-CYBMUJFWSA-N 323.393 -0.926 30 20 DBED C#CCNCC1(NC(=O)[C@@H](OC)[C@H]2CCOC2)CCOCC1 1755096797 JQKHPTQCMUGGSU-KBPBESRZSA-N 310.394 -0.074 30 20 DBED C=CCN1CC[C@@H](N(C)[C@H](C)CNC(=O)c2nnn(C)n2)C1=O 1755312201 CNBAWMBSJAEBGG-GHMZBOCLSA-N 321.385 -0.953 30 20 DBED CC#CCN1C[C@@H](NC(=O)CCn2ncn(C)c2=O)C(C)(C)C1 1755410120 LOWUGUYZTNKWCT-CYBMUJFWSA-N 319.409 -0.178 30 20 DBED C#CCNC(=O)CN[C@@H](C)[C@H]1CN(C(=O)c2ccoc2)CCO1 1755438520 JTMZHRPETHIALI-GXTWGEPZSA-N 319.361 -0.152 30 20 DBED CC(C)C#CC(=O)N1C[C@H]2[C@H](CNC(=O)[C@@H]3COCCO3)[C@H]2C1 1756190929 CEZLYTACNHFPPB-XQLPTFJDSA-N 320.389 -0.118 30 20 DBED C#Cc1ccc(C(=O)N[C@@H](CO)CNC(=O)[C@H](C)COC)cn1 1756520441 WURLOWJSCLRYLG-BXUZGUMPSA-N 319.361 -0.448 30 20 DBED Cc1nc(C)c(C(=O)N[C@@H]2CN(C(=O)C#CC(C)C)C[C@@H]2O)[nH]1 1757212425 HJLKZJZDXKCTMJ-OLZOCXBDSA-N 318.377 -0.013 30 20 DBED COCC/N=C(\N)NCc1ccc(S(=O)(=O)N(C)C)cc1 195522926 HWDQENJHXLEIMC-UHFFFAOYSA-N 314.411 -0.012 30 20 DBED N#Cc1ncccc1S(=O)(=O)NCCCN1CCNCC1 236409338 XHTGZYZOYFZXCY-UHFFFAOYSA-N 309.395 -0.473 30 20 DBED CC[C@](C)(O)CN/C(=N/C)N1CCN(c2cnn(C)c2)C(=O)C1 261616599 AWBWDMMNALKOCE-HNNXBMFYSA-N 322.413 -0.195 30 20 DBED CS(=O)(=O)N[C@@H]1CCCC[C@@H]1C/N=C(\N)N1CCOCC1 262686868 YQWYSRQFRTXGON-VXGBXAGGSA-N 318.443 -0.259 30 20 DBED C/N=C(\NCCN1CCCCC1)NC[C@@H]1CN2CCN1CC2 262757792 CAEAHTYSKFOVJB-OAHLLOKOSA-N 308.474 -0.363 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CNCC[C@H]2C)C1=O 263023110 AXDMDFLHDIXZBI-ZJUUUORDSA-N 308.338 -0.923 30 20 DBED CNC(=O)CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 268745014 UNIINBFPNOWOCV-SECBINFHSA-N 324.362 -0.913 30 20 DBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H](C)O 269385799 AIAJCROKPULLJL-ZJUUUORDSA-N 311.363 -0.278 30 20 DBED C[C@H]1CN(C(=O)C(=O)N(C)Cc2ccc(C#N)cc2)CC(=O)N1 297479115 BUDJFQZADMHROY-NSHDSACASA-N 314.345 -0.136 30 20 DBED Cc1noc([C@@H]2CCN(c3c(C#N)c(=O)n(C)c(=O)n3C)C2)n1 328957188 PGJGBIHSSSOOOZ-SECBINFHSA-N 316.321 -0.359 30 20 DBED CC(C)N1CC[C@@H](/N=C(/O)N2CCS(=O)(=O)CC2)C1=O 329655735 FXHBJGBPSTWYQU-SNVBAGLBSA-N 303.384 -0.360 30 20 DBED C[C@H]1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC[S@]1=O 330251976 NXWNBMJLDOQKRE-JLTPVHFHSA-N 310.379 -0.697 30 20 DBED COCC(=O)N1CCN(/C(O)=N/CCCC(=O)N(C)C)CC1 330484379 XOHOVMFJVWALAT-UHFFFAOYSA-N 314.386 -0.441 30 20 DBED CC(C)[C@H]1C(=O)NCCN1C(=O)CNc1ccc(C#N)cn1 330574667 ZTBCEMJFUBHEDF-AWEZNQCLSA-N 301.350 0.348 30 20 DBED CS(=O)(=O)c1ccc(N=C(O)N2C[C@H](O)C[C@H]2CO)cn1 330651470 IEQDKYHUOSBNPB-VHSXEESVSA-N 315.351 -0.542 30 20 DBED C=C(C)CN(C)CC(=O)N/C(O)=N/[C@H]1CCS(=O)(=O)C1 330725525 DXLGDAIURXWWGR-JTQLQIEISA-N 303.384 -0.288 30 20 DBED CNS(=O)(=O)c1ccc(N=C(O)N2CC[C@H](CO)C2)nc1 331179994 RDJJPBYYWRYKHP-VIFPVBQESA-N 314.367 -0.151 30 20 DBED CC(C)[C@@H](O)C1(CNS(=O)(=O)N2CCO[C@H](C#N)C2)CC1 336883870 HJBXQWAPSUQMMI-VXGBXAGGSA-N 317.411 -0.158 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N[C@H](CCO)c2ccco2)CCO1 336947570 PKWDPZQXJYOWCT-GHMZBOCLSA-N 315.351 -0.238 30 20 DBED C[C@@H]1CS(=O)(=O)C[C@H]1NS(=O)(=O)c1ccc(C#N)nc1 341937967 ITOJVXLEZXGJCA-LDYMZIIASA-N 315.376 -0.335 30 20 DBED N#Cc1cccc(F)c1CC(=O)NCCN1C(=O)CNC1=O 352822461 FGNYSSPHCLXABB-UHFFFAOYSA-N 304.281 -0.092 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@]2(C)CCCNC2=O)CC1 427516793 OVCAIBCEBXEUPI-MRXNPFEDSA-N 322.409 -0.651 30 20 DBED COc1ccncc1CNS(=O)(=O)N1CCO[C@@H](C#N)C1 431577568 HGRFETMBKBHIQY-NSHDSACASA-N 312.351 -0.351 30 20 DBED C=CCNC(=O)NC(=O)CN1CC[C@](COC)(C(=O)OC)C1 451332133 VFERQCLBVKQWSH-AWEZNQCLSA-N 313.354 -0.490 30 20 DBED C#CCN1CCN(C(=O)CN2CC[C@@H](c3n[nH]c(C)n3)C2)CC1 491808611 DTQMXYRUACXGOC-CQSZACIVSA-N 316.409 -0.320 30 20 DBED COC(=O)N1CCC(CNC(=O)NCC(=O)NCC#N)CC1 495776818 XHSHFZRPLQPVTK-UHFFFAOYSA-N 311.342 -0.596 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1CC[C@](O)(CC#N)C1 592077530 GCMVTEXZKOWBMJ-GFCCVEGCSA-N 316.383 -0.556 30 20 DBED N#CCCN1CCN(C(=O)C(=O)NCCCOCC2CC2)CC1 602232762 UJWSUONJKOOCBO-UHFFFAOYSA-N 322.409 -0.023 30 20 DBED N#CCC1(CN[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)CC1 602790453 JLYOPKSGHIPYRF-QWHCGFSZSA-N 313.423 -0.232 30 20 DBED N#Cc1cnn(CCOC(=O)[C@@]23CCC(=O)N2CCS3)c1N 731771435 GUSTZWOSIVGVKK-ZDUSSCGKSA-N 321.362 -0.054 30 20 DBED N#CCN(CC(=O)O)C(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 739076498 XIUKBVQNCYFKFH-LLVKDONJSA-N 316.317 -0.133 30 20 DBED C#CCNC(=O)CN1CCN(c2nccn3cnnc23)[C@H](C)C1 749449463 OICXYTVTMFZPDO-GFCCVEGCSA-N 313.365 -0.616 30 20 DBED COc1cc(OC(=O)CN2C(=O)C(=O)N(C)C2=O)ccc1C#N 767153475 CIPXYYHJCRVOSG-UHFFFAOYSA-N 317.257 -0.107 30 20 DBED C#C[C@H](NC(=O)c1cn(Cc2noc(C)n2)nn1)[C@@H]1CCCO1 784892527 HFDJVQLLDJNPNB-JQWIXIFHSA-N 316.321 -0.072 30 20 DBED COC[C@H](C)CNC(=O)C(=O)NCCNc1ncccc1C#N 787760101 RYSUKUDAYNAYMD-LLVKDONJSA-N 319.365 -0.120 30 20 DBED C[C@@H](C#N)OCCOC(=O)CNS(=O)(=O)c1cn(C)cn1 801847570 ZUDPPRRHLVGYGD-VIFPVBQESA-N 316.339 -0.830 30 20 DBED C#CCC[C@H](O)CNC(=O)CSc1nnc(CCC)n1N 813559695 FSQALROAENGXOH-JTQLQIEISA-N 311.411 -0.073 30 20 DBED C=CCN1C(=O)C(=O)N(Cc2ccnc(-c3nn[nH]n3)c2)C1=O 823919732 ORZGBGHTCUSXLN-UHFFFAOYSA-N 313.277 -0.262 30 20 DBED Cc1cc(C(=O)N[C@H]2CNC[C@H]2C#N)nc2nc(O)nc(O)c12 844195022 PBJXOLOYDCSOQO-APPZFPTMSA-N 314.305 -0.414 30 20 DBED C#CCNS(=O)(=O)N1CCN(Cc2snnc2C)CC1 844312040 BYJCLPOFAYZMSQ-UHFFFAOYSA-N 315.424 -0.568 30 20 DBED CCN1C(=O)c2ccc(C(=O)NCC#CCO)cc2S1(=O)=O 848040347 ITUIREDEZBXMJO-UHFFFAOYSA-N 322.342 -0.424 30 20 DBED C=CCS(=O)(=O)CCNC(=O)c1cnn(CCOC)c1 867334288 VLWUZOVUANQSQT-UHFFFAOYSA-N 301.368 -0.140 30 20 DBED CN(C)CC#CCNC(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1 913518699 XPRZTQZXIQDQJZ-CYBMUJFWSA-N 322.390 -0.602 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@H](CNC(=O)c2ccnn2C)C1 944512687 IZOORPOVEYCAHP-GHMZBOCLSA-N 305.338 -0.463 30 20 DBED C=CC(C)(C)C(=O)N1CCO[C@H](CNC(=O)c2ncn(C)n2)C1 944582628 NUARVKDULLJAFG-LLVKDONJSA-N 321.381 -0.016 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CN2CCC(=O)NC2=O)C[C@@H]1C 947900328 QNSBIWPRZNUFSI-QWHCGFSZSA-N 320.393 -0.079 30 20 DBED C#CCN1CCC(C(=O)N[C@@H]2CCN(CC(N)=O)[C@@H](C)C2)CC1 948069297 FNJGKBLDIKGLDP-DZGCQCFKSA-N 320.437 -0.214 30 20 DBED C=CCn1cc(C(=O)N2CC[C@@H]2CNC(=O)c2nc[nH]n2)nn1 951587446 VLACIRCWTWOEIT-SECBINFHSA-N 316.325 -0.773 30 20 DBED C=CCn1cc(C(=O)N(CC)C2CN([C@@H](C)C(N)=O)C2)nn1 952425565 UBCOJDKJHIMXIR-JTQLQIEISA-N 306.370 -0.516 30 20 DBED CCN1CCO[C@H](C(=O)N(C)C2CN(C(=O)[C@H](C)C#N)C2)C1 954426770 YTIACTZSOVPLIT-YPMHNXCESA-N 308.382 -0.464 30 20 DBED C[C@H](C#N)C(=O)N1CCC(N(C)C(=O)[C@H]2C[C@H]2C(N)=O)CC1 954707813 IWIRTMFZQNJEOT-JLLWLGSASA-N 306.366 -0.283 30 20 DBED C[C@H](C#N)C(=O)N1CC(N(C)C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 955352601 UZOHNIYJKBIMCB-MXWKQRLJSA-N 306.366 -0.283 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@](C)(NC(=O)c2cc(=O)n(C)o2)C1 956865429 QVMVHXPWTXQQGS-OTYXRUKQSA-N 306.322 -0.141 30 20 DBED C#CCN1C[C@H](CNC(=O)c2c(NC(C)=O)c[nH]c2C)[C@@H](O)C1 958196274 SQFHCWOSIZNDNE-JSGCOSHPSA-N 318.377 -0.063 30 20 DBED N#Cc1ccc(C(=O)NC2[C@@H]3CN([C@@H]4CCCNC4=O)C[C@@H]23)[nH]1 958589821 GVTGWUIWHYZUAX-NQBHXWOUSA-N 313.361 -0.175 30 20 DBED C#CCN1CCC(C(=O)NC[C@@H]2CN(CC#C)C[C@@H]2O)CC1 958724371 OFGSIDDPURMXOR-CVEARBPZSA-N 303.406 -0.626 30 20 DBED C#CCN1C[C@H]2[C@H](NC(=O)c3ccccc3-n3cnnn3)[C@H]2C1 962513206 ZJZUMULSYXJDND-NHAGDIPZSA-N 308.345 -0.045 30 20 DBED O=C(CC1=CCOCC1)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 970335839 VVFWBMFXTWKVHQ-CABCVRRESA-N 318.373 -0.176 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)c3cc(C(N)=O)c[nH]3)C2)C1 972615947 UYJMMGDFSFMCPA-MRXNPFEDSA-N 316.361 -0.336 30 20 DBED C#Cc1ccc(C(=O)N(C)C[C@H]2CCN2C(=O)CC(N)=O)cn1 978100306 WTJWOTLHLFAGID-CYBMUJFWSA-N 314.345 -0.389 30 20 DBED C=CCn1cc(C(=O)N2CCC(N(C)CC(N)=O)CC2)nn1 985695438 NPXUYBRVLHEXPW-UHFFFAOYSA-N 306.370 -0.514 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](NC(=O)CN2C(=O)CCC2=O)[C@H]1C 987911986 SHEKICLSWYJLRU-MXWKQRLJSA-N 320.349 -0.599 30 20 DBED Cn1cc(CC(=O)N2CC(NC(=O)c3ccc(C#N)[nH]3)C2)cn1 990887558 DUYBJMQPGZUDMU-UHFFFAOYSA-N 312.333 -0.197 30 20 DBED CN1CCOC[C@@H]1C(=O)N1CC(NC(=O)c2c[nH]c(C#N)c2)C1 990926241 AXZSZSJKGSREIN-CYBMUJFWSA-N 317.349 -0.842 30 20 DBED Cc1ccn(CC(=O)NC2CN(C(=O)C#CC3CC3)C2)c(=O)c1 991606853 YHWFMBHRYHYYIC-UHFFFAOYSA-N 313.357 -0.103 30 20 DBED C[C@H]1[C@@H](NC(=O)c2nccnc2C(N)=O)CCCN1CC#N 994379374 UQABVUXQZGOTHF-UWVGGRQHSA-N 302.338 -0.318 30 20 DBED C[C@H](C#N)C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cn1cnnn1 995711535 LPJCDOBRICIUFA-ZNSHCXBVSA-N 303.326 -0.919 30 20 DBED C=CCn1cc(C(=O)N2CC(NC(=O)[C@]3(C)CCOC3)C2)nn1 998426781 DRRZZTFFYNLOGD-OAHLLOKOSA-N 319.365 -0.169 30 20 DBED CN(C(=O)CN1CCCS1(=O)=O)C1CC(NCC#N)C1 998865672 HCFRKMXUXVXMET-UHFFFAOYSA-N 300.384 -0.876 30 20 DBED CC#CCN1CCC[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 1008726251 IVCWIVBBVVQYHM-GFCCVEGCSA-N 318.377 -0.699 30 20 DBED CCN1CCO[C@H](C(=O)N2CCN(C(=O)[C@@H](C)C#N)CC2)C1 1011217229 NNKWUXJSJMYMRU-STQMWFEESA-N 308.382 -0.462 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C(N)=O)CC1 1011338881 JWYVHIHNJFJHSS-QWRGUYRKSA-N 307.354 -0.640 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C(=O)c2ccoc2CC(N)=O)CC1 1012257858 OIFCZXXSYGKWJI-JTQLQIEISA-N 318.333 -0.249 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCN(Cc3cn(C)nn3)C2)nn1 1015811418 GFPMPOSELCZWNH-LLVKDONJSA-N 316.369 -0.403 30 20 DBED C#CCN1CCC2(CC1)C[C@@H]2NC(=O)c1cnc(O)n(C)c1=O 1016768501 YIXWTMVBPAAOHS-LBPRGKRZSA-N 316.361 -0.297 30 20 DBED C[C@H](C#N)C(=O)N1CCC2(C1)CN(C(=O)[C@@H]1CCCNC1=O)C2 1019111867 HXGJFJRDXFQQNQ-VXGBXAGGSA-N 318.377 -0.267 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]2CN(C(=O)c3c[nH]c(=O)cn3)C[C@H]21 1022566976 NVKZYIMYPPPWDB-JBLDHEPKSA-N 315.333 -0.398 30 20 DBED CCOc1nc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2O)co1 1024754632 IYXCEJVJDXVOAT-IQJOONFLSA-N 322.321 -0.466 30 20 DBED N#CCN1CCCC[C@H]1CNC(=O)[C@@H]1CCS(=O)(=O)N1 1024807563 UUCQDIZDEBCSPE-QWRGUYRKSA-N 300.384 -0.828 30 20 DBED C=CCn1cc(C(=O)N2C[C@H]3[C@@H](NCC(N)=O)CC[C@H]3C2)nn1 1026371811 PZYXZDMLISPTTA-TUAOUCFPSA-N 318.381 -0.610 30 20 DBED C#CCN1[C@H]2CC[C@H]1CN(C(=O)CCN1C(=O)CCC1=O)C2 1029383476 XAKAXAPMFSWVOY-STQMWFEESA-N 303.362 -0.166 30 20 DBED C=CCN1CC[C@@H](N(C)C[C@H]2CCN(C(=O)C(N)=O)C2)C1=O 1029823083 PPNFBWWWUPAQNE-VXGBXAGGSA-N 308.382 -0.961 30 20 DBED CC#CCN1CC(CNC(=O)[C@H]2CCc3nnn(C)c3C2)C1 1031927015 YJCMLYMGAVOJHD-ZDUSSCGKSA-N 301.394 -0.009 30 20 DBED CC#CCN1CCO[C@H](CNC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 1035514739 QQIPJVYPFDBHLA-HZSPNIEDSA-N 307.394 -0.272 30 20 DBED N#CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1cnc2c(c1)NC(=O)CO2 1037485149 ACYBXFNZVCZROF-SUZMYJTESA-N 313.317 -0.261 30 20 DBED C=CCCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)CN1C(=O)C(=O)N(C)C1=O 1037599638 LWSYOJHTWJXFDW-JFGNBEQYSA-N 320.349 -0.828 30 20 DBED C=CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)CN1C(=O)NC(C)(C)C1=O 1037701730 LFYSNPQBLGYZIS-JFGNBEQYSA-N 306.366 -0.308 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2CCN2Cc2nc(O)n[nH]2)nc1 1038931079 KWPMTGVEFOFONB-LLVKDONJSA-N 312.333 -0.109 30 20 DBED C=CCN1CC[C@H](N2[C@H]3CCC[C@H]2CN(C(=O)C(N)=O)C3)C1=O 1039882813 SYQKEHAOGIJMBU-AVGNSLFASA-N 320.393 -0.676 30 20 DBED COc1cc(C(=O)N2CC[C@](O)(CNC(=O)[C@@H](C)C#N)C2)on1 1040764024 SXXTTYRCGIBEFU-XPTSAGLGSA-N 322.321 -0.464 30 20 DBED N#CCN1CCC2(CC1)CCN(C(=O)CN1CC(=O)NC1=O)C2 1040882431 CPRFRCAOLFWFIY-UHFFFAOYSA-N 319.365 -0.624 30 20 DBED C=CCCC(=O)N1CC[C@](O)(CNC(=O)CCc2cnn[nH]2)C1 1040948873 PYTYEIVEPJOEGN-HNNXBMFYSA-N 321.381 -0.217 30 20 DBED N#Cc1nccnc1N[C@@H]1C[C@H](NC(=O)C(N)=O)C12CCC2 1041614010 XDBAJSARXHJEOY-ZJUUUORDSA-N 300.322 -0.327 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)c2cnc(C)[nH]2)C1 1042078609 JWTQCJUGGWJAQS-UHFFFAOYSA-N 308.338 -0.776 30 20 DBED COCCC(=O)N1CC(O)(CNC(=O)c2cc(C#N)c[nH]2)C1 1042391564 IJLDLSUAARKOAE-UHFFFAOYSA-N 306.322 -0.774 30 20 DBED C=C(C)CCC(=O)N1CC(O)(CNC(=O)[C@H](C)n2cncn2)C1 1042649134 ZTGMRRDFWCRKLD-LBPRGKRZSA-N 321.381 -0.115 30 20 DBED CCn1cc(C(=O)N2CC(O)(CNC(=O)C#CC(C)C)C2)cn1 1042936551 LZOUZXBUDFSYKK-UHFFFAOYSA-N 318.377 -0.135 30 20 DBED C=CC(C)(C)CC(=O)N1CC(O)(CNC(=O)Cn2nccn2)C1 1043210774 ILAXFHXKKUQQQC-UHFFFAOYSA-N 321.381 -0.430 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)CCC(F)F)C1 1043913739 SMCWOIHSHCNFNC-UHFFFAOYSA-N 306.309 -0.076 30 20 DBED C=C(C)CCC(=O)N1CC(O)(CNC(=O)c2c[nH]c(=O)cn2)C1 1045401445 QSFYOICSJIKSHW-UHFFFAOYSA-N 320.349 -0.571 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)COc2ccsc2)C1 1045546154 IYJKWXGIXBZHLG-JTQLQIEISA-N 323.374 -0.024 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)CN2CC[C@@H](C)C2)C1 1045554310 CACYRTLZIBWVQJ-NEPJUHHUSA-N 308.382 -0.823 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)[C@H](C)c2ccnn2C)C1 1045558922 CPVJPLPDCXBFGS-WDEREUQCSA-N 319.365 -0.627 30 20 DBED CN(C(=O)c1cc(C(F)F)n(C)n1)[C@H]1CN(CC#N)C[C@@H]1O 1047457480 YYDXTGZAHOALMZ-QWRGUYRKSA-N 313.308 -0.002 30 20 DBED C=C[C@](C)(O)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2ccon2)C1 1048378171 NVQLNDOUTOUCRV-HUBLWGQQSA-N 323.349 -0.355 30 20 DBED C#CCCCC(=O)N(C)[C@H]1CN(C(=O)c2ncccn2)C[C@@H]1O 1048757739 MPLXPGVGOKLPHV-STQMWFEESA-N 316.361 -0.076 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2[nH]nnc2C)C1 1049156848 SCWXTQCHHKTRTH-RYUDHWBXSA-N 319.365 -0.440 30 20 DBED N#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[C@H]1NC(=O)NC1=O 1049882768 DYOHQQPRMHIJDH-GRYCIOLGSA-N 319.365 -0.437 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1C 1051921670 LZSKWLOJIBXVIM-CHWSQXEVSA-N 318.381 -0.313 30 20 DBED C#CCCCC(=O)N1C[C@@H](C)[C@@H](CNC(=O)Cn2ncnn2)C1 1052477207 FWKPNGKXPPJOIM-OLZOCXBDSA-N 318.381 -0.313 30 20 DBED C#CCCN1CCC[C@H](NC(=O)CN2CCN(C)C(=O)C2)CC1 1052504213 ZMRXPTSWLLTOMH-HNNXBMFYSA-N 320.437 -0.246 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](C)[C@@H](CNC(=O)CNC(N)=O)C1 1052527927 AQMNGOQMBOLHNA-NEPJUHHUSA-N 308.382 -0.475 30 20 DBED C=C(C)CN1CC2(C1)CN(C(=O)[C@H](C)S(C)(=O)=O)CCO2 1053309169 AOMXJGHEEWWGRJ-LBPRGKRZSA-N 316.423 -0.091 30 20 DBED Cc1nnc(O)c(C(=O)N2CCOC3(CN(CC#N)C3)C2)c1C 1053366119 CNXFWVIMHICVNR-UHFFFAOYSA-N 317.349 -0.151 30 20 DBED CN1C[C@H](C(=O)NC[C@H]2CCC3(CN(CC#N)C3)O2)CC1=O 1053606875 PBPQZVQCTZAXKC-VXGBXAGGSA-N 306.366 -0.662 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)[C@]3(C)CCNC3=O)CO2)C1 1053926124 WFPDSPVCQJUCFW-IUODEOHRSA-N 305.378 -0.505 30 20 DBED Cc1nonc1C(=O)N[C@H]1[C@@H]2CN(c3nccnc3C#N)C[C@@H]21 1056243232 XFAWGMKCOWKVRS-GDGBQDQQSA-N 311.305 -0.096 30 20 DBED N#CCSCC(=O)N1CCC[C@H]2[C@@H]1CCN2C(=O)C(N)=O 1056248773 RLDCFUUUAUOROC-UWVGGRQHSA-N 310.379 -0.680 30 20 DBED N#CCSCC(=O)N1CC[C@H]2[C@@H]1CCCN2C(=O)C(N)=O 1056537345 JIULBHSUSSEALQ-UWVGGRQHSA-N 310.379 -0.680 30 20 DBED C#CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)[C@@H](C)OCC 1057066032 UOXARAZKJUYBKB-QWHCGFSZSA-N 314.382 -0.613 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)c1[nH]cnc1C 1057196303 BXAOHQCGTUMLRK-UHFFFAOYSA-N 310.354 -0.529 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)CN(C)C(C)C 1057199009 GSZDECHKBKZGSV-UHFFFAOYSA-N 315.414 -0.534 30 20 DBED Cc1[nH]nc(C(=O)N(CCO)CCNC(=O)[C@H](C)C#N)c1C 1057237155 AUBDMXQRPLELQS-SECBINFHSA-N 307.354 -0.263 30 20 DBED C=C(C)C[C@@H](C)C(=O)NCCN(CCO)C(=O)CC(=O)NC 1057417407 TVVJSWNQPWCFPQ-GFCCVEGCSA-N 313.398 -0.338 30 20 DBED O=C(NCCN(CCO)C(=O)C#CC1CC1)[C@@H]1CCCCO1 1057531133 GLALKYIOZMDGPD-AWEZNQCLSA-N 308.378 -0.094 30 20 DBED C[C@H]1CCN(CC(=O)NCCN(CCO)C(=O)C#CC2CC2)C1 1057536164 MPWYAKGVJNWXGQ-AWEZNQCLSA-N 321.421 -0.321 30 20 DBED COCCC1(C(=O)N(CCO)CCNC(=O)[C@H](C)C#N)CC1 1057817034 HYZFWIIRGNPGQK-GFCCVEGCSA-N 311.382 -0.100 30 20 DBED C=C(C)CCC(=O)NCCN(CCO)C(=O)[C@H]1C[C@H]1C(N)=O 1058855743 CDVHGQODMVIKHO-NEPJUHHUSA-N 311.382 -0.599 30 20 DBED Cc1cc(=N[C@H]2CCN(C(=O)Cn3ncnn3)C2)c(C#N)c[nH]1 1058970254 ROAFYULPXBJOBI-LBPRGKRZSA-N 312.337 -0.617 30 20 DBED N#Cc1cnc(N[C@H]2CCN(C(=O)[C@@H]3CCC(=O)NC3)C2)cn1 1059114406 RVNNSYWMDMPTNM-MNOVXSKESA-N 314.349 -0.113 30 20 DBED C[C@]1(C(=O)N[C@H]2C[C@@H](N=c3cc[nH]c(C#N)n3)C2)CCNC1=O 1059822879 CABXLROKBLKMLJ-WMFXKJRFSA-N 314.349 -0.645 30 20 DBED N#Cc1cnc(N2CCC[C@H]2CNC(=O)[C@H]2CCC(=O)N2)cn1 1061327373 IARLCMYMFLFRGM-NWDGAFQWSA-N 314.349 -0.288 30 20 DBED C=CCOCC(=O)NC[C@H]1COCCN1C(=O)[C@@]12COC[C@@H]1C2 1061426815 UZQNILRQDSHOLI-XEZPLFJOSA-N 324.377 -0.431 30 20 DBED O=C(C#CC1CC1)NC[C@H]1COCCN1C(=O)C1=COCCO1 1061570188 VNWXOFGCLRJQJL-ZDUSSCGKSA-N 320.345 -0.368 30 20 DBED C=C(C)CCC(=O)NC[C@H]1COCCN1C(=O)c1nnn(C)n1 1061632927 KVZCAMUOUYRGEB-NSHDSACASA-N 322.369 -0.476 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCCC[C@@H]1CNC(=O)c1cnn[nH]1 1062213817 JDKUKWLSZVIDML-NWDGAFQWSA-N 319.365 -0.046 30 20 DBED N#Cc1cnc(NC[C@@H]2CCCN2C(=O)Cn2ncnn2)cn1 1064956708 ISTHFXFYWULISA-NSHDSACASA-N 313.325 -0.562 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCO[C@H](CNC(=O)c2cnn[nH]2)C1 1065092916 OFWZGUFBYAQQFU-QMTHXVAHSA-N 323.353 -0.911 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@H](CNC(=O)COC)C1 1065633606 QSFPGXZVQXUWQG-UPJWGTAASA-N 312.366 -0.433 30 20 DBED N#Cc1cnc(N2C[C@@H](O)[C@H](CNC(=O)c3ccon3)C2)cn1 1067654085 SBUHAHUAGUCGDQ-BXKDBHETSA-N 314.305 -0.437 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@@H](CNC(=O)c3ccnnc3)C2)cn1 1067693948 SALALYOJBHVYMB-SWLSCSKDSA-N 324.344 -0.030 30 20 DBED CC#CCN1CCn2ncc(CNC(=O)c3cnnn3C)c2C1 1069859090 DUZSWTCDSCLKFO-UHFFFAOYSA-N 313.365 -0.220 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2cc(C)nn2C)C1 1069901228 UXXOYGUQOCUXEK-OCCSQVGLSA-N 313.365 -0.391 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](n2ccnn2)[C@H](NCC(N)=O)C1 1070252161 RRMKSKJRNOXMFM-MNOVXSKESA-N 306.370 -0.683 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2ccn(C)n2)C[C@H]1c1cn(C)cn1 1070564149 XGWCSJZFXPLSQQ-SWLSCSKDSA-N 312.377 -0.015 30 20 DBED N#CCN1C[C@H]2C[C@@H]3CN(C(=O)[C@@H]4[C@H]5COC[C@H]54)C[C@@]3(C1)O2 1070840168 RKUBQAFODVTGNH-JDPLCVSVSA-N 303.362 -0.296 30 20 DBED C=CCN1C[C@H]2C[C@H]3CN(C(=O)C4(C(N)=O)CC4)C[C@@]3(C1)O2 1070847750 HLSGBYYDINEMHU-HWWQOWPSSA-N 305.378 -0.260 30 20 DBED C#CCCN1CC[C@@]2(C1)CN(C(=O)c1nnn(C)n1)C[C@@H](C)O2 1071197663 WKSFVIBZIAVNHL-IUODEOHRSA-N 318.381 -0.461 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 1071353066 BVJWVBDMQZVZGA-UPJWGTAASA-N 321.377 -0.745 30 20 DBED CNC(=O)CC(=O)N1C[C@H](C)[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 1071967880 RRTAOKYGKVDUBR-CABZTGNLSA-N 317.349 -0.401 30 20 DBED C[C@H]1CN(C(=O)c2nnn(C)n2)C[C@@H]1NC(=O)C#CC(C)(C)C 1072543111 HMHHELHRNGGCHV-QWRGUYRKSA-N 318.381 -0.164 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCN(CCN3C(=O)CNC3=O)C2)C1 1072552185 NDBDWLFTVCVLOD-NSHDSACASA-N 319.365 -0.768 30 20 DBED COCCN1C[C@H](C(=O)N2CC3(CCN(CC#N)C3)C2)CC1=O 1072797281 RMWLHIWEMYIHJR-CYBMUJFWSA-N 320.393 -0.461 30 20 DBED CCOCC(=O)N1CC(N2CCN(C(=O)C#CC3CC3)CC2)C1 1073569367 RTMXSSQNJUROPV-UHFFFAOYSA-N 319.405 -0.209 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCN(C(=O)CC(N)=O)C[C@H]1C 1073959128 CKFAYGJZTISBKK-VXGBXAGGSA-N 309.366 -0.745 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H](C)CCNC(=O)[C@H]1CCC(=O)N1 1075927173 WCYQZAIKPUHTBG-RWSFTLGLSA-N 311.382 -0.397 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H](C)CCNC(=O)[C@@H]1CCC(=O)N1C 1077880526 GHQPSXBFNHJDHM-XQQFMLRXSA-N 323.393 -0.344 30 20 DBED C[C@@H](CCNC(=O)[C@@H](C)C#N)NC(=O)CCS(C)(=O)=O 1078140660 TUOXFAXMEVKHEL-UWVGGRQHSA-N 303.384 -0.408 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)CCNC(N)=O)C1 1079752957 CYZMWFFCIYSJAZ-NSHDSACASA-N 324.381 -0.858 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CO)(NC(=O)c2cnco2)CC1 1080921962 IXIDRTWQTUJVGY-JTQLQIEISA-N 306.322 -0.082 30 20 DBED C#CCCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cnon2)C1 1081685524 TYYFUAKLSLWRBD-CMPLNLGQSA-N 306.322 -0.578 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1cc(C(N)=O)cs1 1082387339 ZFCKHCJDIBCQKK-NXEZZACHSA-N 308.363 -0.200 30 20 DBED C#CCCN1C[C@@H](NC(=O)[C@H]2CCCN2C(C)=O)[C@H](OC)C1 1082389103 XFIJWSGNZSRJEE-RBSFLKMASA-N 307.394 -0.164 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1ccc(C(N)=O)o1 1083137727 NYNQYYDZHGFYHG-SMDDNHRTSA-N 317.345 -0.073 30 20 DBED C=CCN1CC[C@@H](N2C[C@H](O)[C@H](NC(=O)C3CCC3)C2)C1=O 1083302715 RGVFNOFEWBEHGU-MCIONIFRSA-N 307.394 -0.265 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)c2nn3c(c2C)OCCC3)C1 1083508455 IWAJTFLCWBPDBD-OLZOCXBDSA-N 318.377 -0.228 30 20 DBED C=CCN1CC[C@@H]1CN(C)C(=O)c1cc(=O)n2[nH]cnc2n1 1085924548 ZEDDVQIWIPQHHH-SNVBAGLBSA-N 302.338 -0.250 30 20 DBED C#CCN[C@H]1C[C@@H](CNC(=O)[C@H]2CC(=O)N(CCOC)C2)C1 1086100526 FLLLAFQXLWOIJJ-MELADBBJSA-N 307.394 -0.401 30 20 DBED C=CCN[C@H]1C[C@H](CNC(=O)C2CC3(C2)NC(=O)NC3=O)C1 1086503837 PZXXKKVIKDPPEK-DGSUZPGTSA-N 306.366 -0.355 30 20 DBED Cn1cc(C(=O)N[C@@H]2CCN(CC#N)C[C@H]2O)c(C2CC2)n1 1090301186 OTPDBRWLAMYQIZ-CHWSQXEVSA-N 303.366 -0.014 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1O 1090445257 GUGAOWUGGFYRAA-CHWSQXEVSA-N 317.349 -0.393 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(c2nccc(C)n2)C[C@H]1O 1090489256 ZEYTZYJMGNXKQJ-YNEHKIRRSA-N 304.350 -0.511 30 20 DBED C#CCN1CC[C@H](NC(=O)c2ccc(CNC(C)=O)o2)[C@@H](O)C1 1090646926 MJRIVTBIHRYJSC-KBPBESRZSA-N 319.361 -0.286 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cnccc2N(C)C)[C@H](O)C1 1090732303 BJFKUSSHQKIOKK-DZGCQCFKSA-N 302.378 -0.054 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2cnn(CCOC)c2)[C@@H](O)C1 1090768021 PMYDDDKFDACIJP-GJZGRUSLSA-N 320.393 -0.282 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2cccnc2C(N)=O)[C@@H](O)C1 1090822766 CUIZMBCLLPFLDJ-OLZOCXBDSA-N 316.361 -0.631 30 20 DBED C=CCCN1CC[C@@H](NC(=O)c2ccc(C(N)=O)nc2)[C@@H](O)C1 1090851652 HAAJDIAITQPREX-OCCSQVGLSA-N 318.377 -0.078 30 20 DBED CC[C@@H](C)OCC(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@@H]1O 1091091044 SMUBQXPOBUDLOF-RTXFEEFZSA-N 319.365 -0.171 30 20 DBED CC(=O)NCC(=O)NC[C@H]1C[C@@H](Nc2cnc(C#N)cn2)C1 1091304126 KTJHZHVKYDHTEW-PHIMTYICSA-N 302.338 -0.209 30 20 DBED CC#CCN1C[C@@H]2CN(C(=O)C[C@H]3CC(=O)NC3=O)C[C@]2(C)C1 1092330554 IKAVMMCTLSJOPO-XNJGSVPQSA-N 317.389 -0.157 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)c3nccn32)C1 1092400105 WXPGMAVMQHIDAD-WOPDTQHZSA-N 313.361 -0.790 30 20 DBED COC(=O)NCC(=O)NC1[C@@H]2CN(c3ccncc3C#N)C[C@@H]12 1093239889 OIBLHACGNFQRTB-GHMZBOCLSA-N 315.333 -0.140 30 20 DBED C#CCNC1CCC2(CC1)CN(C(=O)c1nnn(C)n1)CCO2 1093403687 GSRXNUFLOVRGCX-UHFFFAOYSA-N 318.381 -0.413 30 20 DBED Cc1cc(C#N)nc(NCCNC(=O)CCn2ccnn2)n1 1093576892 YCOYDUIVSDNPNZ-UHFFFAOYSA-N 300.326 -0.133 30 20 DBED Cc1[nH]nc(C(=O)NCCCN=c2cc[nH]c(C#N)n2)c1O 1094390590 DBECFFVBDPOBPM-UHFFFAOYSA-N 301.310 -0.261 30 20 DBED COC(=O)NCC(=O)N1CCCN(c2cnc(C#N)cn2)CC1 1095167895 OIRQRJIQSQCKAV-UHFFFAOYSA-N 318.337 -0.257 30 20 DBED CNC(=O)CC(=O)N1CCC[C@@H](Nc2cnc(C#N)cn2)C1 1095288404 FAVLEQAPSQYZHH-SNVBAGLBSA-N 302.338 -0.113 30 20 DBED C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC#N)N1C(=O)CCC1=O 1095495618 WLGCPWAPIBDJBU-USZNOCQGSA-N 304.350 -0.231 30 20 DBED CC(=O)N(C)CC(=O)NC[C@@H](N=c1cc[nH]c(C#N)n1)C1CC1 1096584597 DSNDQUYGPZXLMM-GFCCVEGCSA-N 316.365 -0.445 30 20 DBED C[C@H](CC(=O)N[C@H]1C[C@H](Nc2cnc(C#N)cn2)C1)NC(N)=O 1097071864 SWHGPUJRMIKACV-OPRDCNLKSA-N 317.353 -0.146 30 20 DBED C=C(C)CN(CCO)C1CCN(C(=O)CCNC(N)=O)CC1 1098556245 OGCAKHPWUZICII-UHFFFAOYSA-N 312.414 -0.094 30 20 DBED CC(C)CCC(=O)N[C@H]1CCN(CC(=O)NCC#N)C[C@H]1O 1099663797 SQASBDUKBPZNHM-QWHCGFSZSA-N 310.398 -0.386 30 20 DBED C=CC(C)(C)CC(=O)N[C@@H]1CCN(Cc2nnnn2C)C[C@H]1O 1099850846 RPHNPDXVCNXQDQ-VXGBXAGGSA-N 322.413 -0.136 30 20 DBED C#CCCN1CC[C@H](NC(=O)COc2cc(C)on2)[C@H](O)C1 1099884664 ARKGHZFLEYYJJT-QWHCGFSZSA-N 307.350 -0.063 30 20 DBED C=CCCN1CC[C@@H](NC(=O)COc2cnn(C)c2)[C@H](O)C1 1099971446 IBUUISNHCKNWDR-ZIAGYGMSSA-N 308.382 -0.074 30 20 DBED C=CCCCN1CC[C@H](NC(=O)CS(=O)(=O)NC)[C@H](O)C1 1100117220 FBLXALHPPLQYGC-NWDGAFQWSA-N 319.427 -0.947 30 20 DBED C=CCN1CC[C@H](NC(=O)C(C)(C)CS(C)(=O)=O)[C@@H](O)C1 1100137373 YNOHLDXQKXPZGG-RYUDHWBXSA-N 318.439 -0.205 30 20 DBED CC#CCN1CC[C@H](NC(=O)CCc2cn(C)nn2)[C@H](O)C1 1100147825 XTRFFNNMDUSTMN-UONOGXRCSA-N 305.382 -0.678 30 20 DBED CC(C)C#CC(=O)NCC1CC(N[C@H](C)C(=O)NC(N)=O)C1 1100310299 KZGXVYWDZMEWHO-VOMCLLRMSA-N 308.382 -0.286 30 20 DBED C=CCNC(=O)CNC1CC(CNC(=O)[C@@H](C)NC(=O)CC)C1 1100354495 FAIFHZFAXOKKSJ-PNESKVBLSA-N 324.425 -0.312 30 20 DBED CCN(CCNC(=O)Cn1ncnn1)c1ncc(C#N)cc1F 1100624804 CAFAEFVSJSQXDX-UHFFFAOYSA-N 318.316 -0.278 30 20 DBED CN(CCN=c1cc[nH]cc1C#N)C(=O)[C@@H]1CCCN1C(N)=O 1101673832 FWIBFNGAVUHKFB-ZDUSSCGKSA-N 316.365 -0.211 30 20 DBED C[C@@H]1C[C@@H](C(=O)N(C)CCN=c2cc[nH]c(C#N)n2)CC(=O)N1 1101839366 QKRXZJXOFCLOOL-GHMZBOCLSA-N 316.365 -0.445 30 20 DBED N#Cc1cccnc1N1CC[C@@H](CCNC(=O)CNC(N)=O)C1 1102283153 OEXMYIPTLXHOGN-LLVKDONJSA-N 316.365 -0.046 30 20 DBED CC[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)Nc1ncccc1C#N 1103277493 JQLPKIXLNRPHSQ-QWRGUYRKSA-N 302.338 -0.059 30 20 DBED C[C@H](CNC(=O)c1cn(C)nn1)CNc1cncc(C#N)n1 1103929155 QDYFQODMWIYWNE-VIFPVBQESA-N 300.326 -0.045 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)[C@]1(C)CCC(=O)N1 1104198245 MCCLTUXFBUUZBO-BMIGLBTASA-N 316.365 -0.397 30 20 DBED CC(=O)NC(C)(C)C(=O)N(C)[C@H](C)CN=c1cc[nH]c(C#N)n1 1104618855 JSFKAUXHBPTZQC-SNVBAGLBSA-N 318.381 -0.056 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)Cn1nccn1 1104701335 FWDNKFOTNCQWOI-JTQLQIEISA-N 300.326 -0.679 30 20 DBED C#CCNCc1cn(C2CN(C(=O)c3cnn(CC)c3)C2)nn1 1105194698 DSXCWBDPQPCTCZ-UHFFFAOYSA-N 313.365 -0.086 30 20 DBED C=CCNCc1cn(C2CN(C(=O)[C@@H]3CN(C)CCO3)C2)nn1 1105199922 ONVDHZCPIQHJBC-AWEZNQCLSA-N 320.397 -0.732 30 20 DBED C[C@@H](CC(N)=O)C(=O)N(C)CCN(C)c1cncc(C#N)n1 1105521804 SXXRMBQZVNSFKW-JTQLQIEISA-N 304.354 -0.246 30 20 DBED N#Cc1nccnc1NC[C@H](O)CNC(=O)[C@H]1CCCOC1 1105741409 FWURLJYMCUBJNQ-QWRGUYRKSA-N 305.338 -0.336 30 20 DBED Cc1cc(=NC[C@H](O)CNC(=O)C[C@@H]2CCOC2)c(C#N)c[nH]1 1105759889 RHLCTIOBMCYCHC-JSGCOSHPSA-N 318.377 -0.001 30 20 DBED Cc1nc(NC[C@@H](O)CNC(=O)[C@H](C)C#N)c2cnn(C)c2n1 1105770977 DWMAPAKKQHHDHS-PSASIEDQSA-N 317.353 -0.280 30 20 DBED Cc1nc2ncnn2c(NC[C@@H](O)CNC(=O)[C@H](C)C#N)c1C 1105774663 VGMDNPNBQZBYCK-LDYMZIIASA-N 317.353 -0.210 30 20 DBED Cc1nccn1CC(=O)NC[C@H](O)CNc1cncc(C#N)n1 1105867513 XVKWZVJEDDASNC-GFCCVEGCSA-N 315.337 -0.558 30 20 DBED Cc1cc(=NC[C@H](O)CNC(=O)C(C)(C)C(N)=O)c(C#N)c[nH]1 1105999707 SZWSUEXTGHWVBC-NSHDSACASA-N 319.365 -0.916 30 20 DBED C[C@@]1(C(=O)NC[C@H](O)CNc2ccc(C#N)cn2)CCNC1=O 1106104199 JOLSGILIBIMJGJ-IAQYHMDHSA-N 317.349 -0.632 30 20 DBED C[C@H](CCNc1cncc(C#N)n1)NC(=O)CCn1cnnn1 1106418529 LWPGRMITJZZPBJ-SNVBAGLBSA-N 315.341 -0.268 30 20 DBED C[C@H](O)CN1CC(n2cc(CNC(=O)CSCC#N)nn2)C1 1107129581 GCCIOSJLDIDGAX-JTQLQIEISA-N 324.410 -0.611 30 20 DBED C#CCN1CC(n2cc(CNC(=O)Cc3cncn3C)nn2)C1 1107229773 RFCHYPBGYJTZNG-UHFFFAOYSA-N 313.365 -0.640 30 20 DBED C#CCNC(=O)CN1CCO[C@](C)(CNC(=O)/C(C)=C\C)C1 1107852852 KOUSEKMLHVKFFF-ORDXOSSNSA-N 307.394 -0.091 30 20 DBED C[C@H](CNc1cnc(C#N)cn1)NC(=O)C[C@H]1CCNC1=O 1107978715 LFABDPXLECRCHO-NXEZZACHSA-N 302.338 -0.209 30 20 DBED C=CCCN1CCO[C@](C)(CNC(=O)C[C@@H]2NC(=O)NC2=O)C1 1108001488 FVEDIZLZHZIHMN-XHDPSFHLSA-N 324.381 -0.632 30 20 DBED CC(C)OCCC(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1 1108511273 OQKSHKCHZDKLES-LBPRGKRZSA-N 308.382 -0.274 30 20 DBED C#CCCN1CC(N2C[C@H](NC(=O)[C@@H](CC)OC)CC2=O)C1 1108517045 BEZAOIAAUWUOQM-TZMCWYRMSA-N 307.394 -0.164 30 20 DBED C[C@@H](CNc1cncc(C#N)n1)NC(=O)C[C@@H](C)NC(N)=O 1108528647 PBNPMUWRDOEDMO-BDAKNGLRSA-N 305.342 -0.288 30 20 DBED C=CCCN1CC(N2C[C@H](NC(=O)CC(=O)NC)CC2=O)C1 1108534256 KMANXQFXBFSSGM-LLVKDONJSA-N 308.382 -0.900 30 20 DBED Cc1ccc(C#N)c(N(C)C[C@@H](C)NC(=O)Cn2cnnn2)n1 1108851123 USKCIHOSVQEENL-LLVKDONJSA-N 314.353 -0.111 30 20 DBED Cn1nnc(CN2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)CSCC#N)n1 1108947232 KARLNOFBJHVXCR-VWYCJHECSA-N 321.410 -0.312 30 20 DBED CNC(=O)CC(=O)N[C@H]1[C@H]2C[C@H]1N(c1ccnc(C#N)n1)C2 1109699940 UYGBMWXACJLPTF-QIBSRJKCSA-N 300.322 -0.822 30 20 DBED CNC(=O)CC(=O)N[C@H](CNc1cnc(C#N)cn1)C1CC1 1109842321 ZANWMDWJGJDPMT-LLVKDONJSA-N 302.338 -0.209 30 20 DBED N#Cc1ccc(NC2(CNC(=O)[C@H]3CCNC(=O)C3)CC2)nn1 1110120823 YCVCHSYCFOYJIU-JTQLQIEISA-N 314.349 -0.065 30 20 DBED CC(C)OCC(=O)NC[C@@]1(O)CCN(c2nccnc2C#N)C1 1111038371 YXSJIAHJMKUURI-HNNXBMFYSA-N 319.365 -0.169 30 20 DBED Cc1cc(N2CC[C@](O)(CNC(=O)[C@H](C)C#N)C2)nc(CO)n1 1111041481 ITZJMYRQZFDEOP-BMIGLBTASA-N 319.365 -0.506 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(N)=O 1111107305 OWYYCOACKWXYSY-SYQHCUMBSA-N 322.409 -0.336 30 20 DBED CNC(=O)CC(=O)N1C[C@H](CNc2nccnc2C#N)[C@@H](C)C1 1111243060 AKDBBKQFSLKXPP-QWRGUYRKSA-N 316.365 -0.009 30 20 DBED Cc1cc(=N[C@H]2CN(C(=O)CNC(N)=O)C[C@H]2C)c(C#N)c[nH]1 1112306221 AUTDYTHNKAWKNS-RNCFNFMXSA-N 316.365 -0.389 30 20 DBED CC(C)OCC(=O)NC[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1O 1112709408 JAKABGBWOPSOFV-DGCLKSJQSA-N 319.365 -0.313 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)[C@@H](C)n2cncn2)CC1 1112770724 XDVMYGPBYLGXMZ-CHWSQXEVSA-N 320.397 -0.326 30 20 DBED C[C@H](NC(=O)Cn1ncnn1)[C@@H](C)Nc1ccc(C#N)nc1 1113193130 FLBJDWAUSHEDIY-ZJUUUORDSA-N 300.326 -0.055 30 20 DBED C=CCN1CC[C@@H](N2CCN(C(=O)CCN(C)C)CC2)C1=O 1113300073 FFSSBILQPRWBNZ-CQSZACIVSA-N 308.426 -0.131 30 20 DBED COCC#CCN1CCN(C(=O)[C@@H](C)CN2CCOCC2)CC1 1113634417 BXOPSOCBVIPYJT-INIZCTEOSA-N 323.437 -0.251 30 20 DBED C[C@@H](CNC(=O)c1c[nH]c(=O)cn1)N(C)c1cncc(C#N)n1 1113849481 NCYZXYVBJIILHL-VIFPVBQESA-N 313.321 -0.314 30 20 DBED C[C@@H](CNC(=O)[C@@]1(C)CCNC1=O)N(C)c1ccnc(C#N)n1 1113872229 KYIABGJWXAZABD-BONVTDFDSA-N 316.365 -0.185 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)CNC(=O)OC)[C@H]2C1 1113948009 KUKLOHNWKAZKIU-DCAQKATOSA-N 324.381 -0.921 30 20 DBED C=CCC(CC=C)C(=O)NC1[C@@H]2CN(CC(=O)NC(N)=O)C[C@@H]12 1114326731 VRFBNZGKHOLGMW-VXGBXAGGSA-N 320.393 -0.004 30 20 DBED C=CCOCCN1C[C@H]2C(NC(=O)[C@@]3(C)CNC(=O)C3)[C@@H]2C1 1114602133 JFJWRJWDTBKTPY-XHBSWPGZSA-N 307.394 -0.238 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)c3csnn3)[C@H]2C1 1114633028 RWBWJZLNEBKOAW-SVDPJWKOSA-N 319.390 -0.664 30 20 DBED C#CCN1C[C@H]2C(NC(=O)CNC(=O)c3cscn3)[C@@H]2C1 1115083727 QGGDLOYASDMTNR-NXEZZACHSA-N 304.375 -0.448 30 20 DBED C[C@@H](CN(C)C(=O)[C@H](C)NC(N)=O)N=c1cc[nH]cc1C#N 1115674231 BOKXTQNJGGIVAJ-UWVGGRQHSA-N 304.354 -0.309 30 20 DBED C=CCN(C)C(=O)C(=O)NC1CCN(CC(=O)N(C)C)CC1 1117336757 DDQJXZJFGHUCHY-UHFFFAOYSA-N 310.398 -0.700 30 20 DBED COC1(C)CCN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)CC1 1118248834 CUGYRQUYJZJTJG-OAHLLOKOSA-N 309.366 -0.109 30 20 DBED C=CCN(C(=O)C(=O)N1CC[C@](C)(C(N)=O)C1)[C@@H](C)COC 1118532172 VOBHBZMWPXCJCV-NHYWBVRUSA-N 311.382 -0.240 30 20 DBED Cc1nsc(N[C@@H](CO)CNC(=O)[C@H]2CCC(=O)N2)c1C#N 1121236235 XNCFAKNRPUABTD-PSASIEDQSA-N 323.378 -0.509 30 20 DBED N#Cc1nc(=N[C@@H](CO)CNC(=O)C[C@@H]2CCCCO2)cc[nH]1 1121289240 XNPRMKUUYNOYLZ-NEPJUHHUSA-N 319.365 -0.382 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)c2c[nH]c(C#N)c2)nn1 1121353656 UMPNZBLTRLBRGC-GFCCVEGCSA-N 311.305 -0.249 30 20 DBED Cc1cc(=N[C@H](CO)CNC(=O)[C@H]2CCN(C)C2)c(C#N)c[nH]1 1121589604 GSTDMCXNVSUJJO-JSGCOSHPSA-N 317.393 -0.476 30 20 DBED CNC(=O)CC(=O)N[C@H]1CCCN(c2ccc(C#N)nn2)[C@H]1C 1123537272 GRETWWPFBTUCSX-JQWIXIFHSA-N 316.365 -0.042 30 20 DBED C[C@@H]1CN(C(=O)CNCCNC(=O)CSCC#N)CCO1 1123799440 RYCSTQPFSUAVAE-LLVKDONJSA-N 314.411 -0.804 30 20 DBED COCCOCC(=O)N(C)C[C@H](O)CNc1ccc(C#N)nn1 1124190480 HMGMTCFJWMYWDS-GFCCVEGCSA-N 323.353 -0.758 30 20 DBED C[C@@H](CC(N)=O)C(=O)N(C)C[C@H](O)CNc1ncccc1C#N 1124689503 SICUAIIZEKXWJU-CMPLNLGQSA-N 319.365 -0.304 30 20 DBED C#CCNC(=O)CC(=O)NCCNCC(=O)NC(CC)CC 1125998055 JFMOKNJBRFOARI-UHFFFAOYSA-N 310.398 -0.864 30 20 DBED CC(C)C#CC(=O)NCCNCC(=O)N1C[C@H](C)O[C@@H](C)C1 1126822783 KALHUVPCDMGMDO-KBPBESRZSA-N 309.410 -0.013 30 20 DBED C#CCO[C@H](C)C(=O)NCCN[C@H]1CCN(C2CCC2)C1=O 1127052337 VKTWKZFGHMQPBZ-OCCSQVGLSA-N 307.394 -0.116 30 20 DBED N#Cc1ccc(N2CC=C(CNC(=O)Cn3cncn3)CC2)nn1 1127649721 ZVXMMJYNXHACEA-UHFFFAOYSA-N 324.348 -0.107 30 20 DBED C=CCN[C@@H]1CCN(c2cccc(CNC(=O)CC(N)=O)n2)C1 1127826856 KTDMPAHMXQOHKG-CYBMUJFWSA-N 317.393 -0.073 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCNCCCO[C@H]1CCOC1 1129770587 JNHWCJHSYZZYJB-HOTGVXAUSA-N 323.437 -0.015 30 20 DBED C#CCCN[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@@H]1n1ccnn1 1130040556 AFHBLHBPDSJNKZ-OLZOCXBDSA-N 314.353 -0.915 30 20 DBED C=C(Cl)CNCCNC(=O)CCc1nnc(O)nc1O 1130752041 PNWBUTIHJALBEF-UHFFFAOYSA-N 301.734 -0.326 30 20 DBED C=C[C@@](C)(CCOC)C(=O)NCCNCC(=O)NC(N)=O 1131867670 UDVDNVWKIQBJBZ-ZDUSSCGKSA-N 300.359 -0.884 30 20 DBED C[C@H]1CC[C@H](NC(=O)COCc2nncn2C)CN1CC#N 1132392326 IDNQEBLDELUUNX-RYUDHWBXSA-N 306.370 -0.176 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)[C@H]1CCC(=O)N1C 1132763224 ZDIBAXUNQSCXHG-GFCCVEGCSA-N 323.397 -0.925 30 20 DBED C#CCNC[C@H]1CN(C(=O)Cn2c(O)nnc2O)CC[C@@H]1C 1133271395 PCGZFYURQIDPLG-QWRGUYRKSA-N 307.354 -0.603 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)c1n[nH]c(C)c1O 1134088849 BGIBHFGIJCMHGT-VHSXEESVSA-N 321.381 -0.340 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)C[C@H](C)NCc1ccn(C)n1 1134131361 VFMVOTQTIGBSBU-STQMWFEESA-N 319.409 -0.068 30 20 DBED C[C@H](NS(C)(=O)=O)C(=O)NCCNCC#Cc1ccccc1 1134353633 VMTFVIJVXKBHIK-ZDUSSCGKSA-N 323.418 -0.318 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)Cn1ccc(C)cc1=O 1134538033 LBRLNDOYFRGKJL-ZDUSSCGKSA-N 318.377 -1.000 30 20 DBED COCC1(C(=O)N[C@H](C)C[C@H](C)NCC(=O)NCC#N)CC1 1134974447 JTLAOFJREFEROP-NWDGAFQWSA-N 310.398 -0.074 30 20 DBED Cc1cc(C(=O)NCCNCC(=O)NCC#N)c2n[nH]cc2c1 1135307143 PSUDORSMOJXCPT-UHFFFAOYSA-N 314.349 -0.170 30 20 DBED C#Cc1ccc(C(=O)NCCNCC(=O)NCCCOC)nc1 1148369977 CFKUOCIVPMESAH-UHFFFAOYSA-N 318.377 -0.465 30 20 DBED C=CCN1CCCO[C@H](CNC(=O)[C@H](C)N2C(=O)CCC2=O)C1 1149818848 VWSBTCFBLLMNGV-QWHCGFSZSA-N 323.393 -0.083 30 20 DBED N#CCNC(=O)CN1CCCO[C@H](CNC(=O)[C@@H]2CC23CC3)C1 1150363194 KDQUXXAUWQCCPF-OLZOCXBDSA-N 320.393 -0.367 30 20 DBED CCCC(=O)N1CCC[C@H]1C(=O)NCCNCC(=O)NCC#N 1152102570 MPHJAIJUCMOCHR-LBPRGKRZSA-N 323.397 -0.877 30 20 DBED C=C[C@](C)(O)CC(=O)NCCCNCc1nnc2n1CCOC2 1157189180 HAHXZMIISIFEPM-HNNXBMFYSA-N 323.397 -0.269 30 20 DBED CC(C)(C)C#CC(=O)NCCCNCC(=O)N1CCNC(=O)C1 1157719115 RVPSIKYYBPUMRC-UHFFFAOYSA-N 322.409 -0.910 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@@H]1CN2CCC1CC2 1158196514 NDHHIBAFAADLBN-CQSZACIVSA-N 308.426 -0.274 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)[C@@H]2CC(=O)N(C)C2)C1=O 1159262571 HPRCAJRKHLTOJF-CHWSQXEVSA-N 322.409 -0.653 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)c1c(C)nnn1CC 1159777264 IALVIZGNEJDVMR-GFCCVEGCSA-N 320.397 -0.546 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)c1cnn(CCF)c1 1161576416 XFMDVCHCCJWZDN-LBPRGKRZSA-N 323.372 -0.300 30 20 DBED C#CCN1CCC(CNC(=O)C[C@H](C)NC(N)=O)(COC)CC1 1162258824 BVGBTFALKGPYPA-ZDUSSCGKSA-N 324.425 -0.089 30 20 DBED C#Cc1cncc(C(=O)NCCCN[C@@H]2CCC(=O)NC2=O)c1 1166299267 OLUKEFMZUREWFO-CYBMUJFWSA-N 314.345 -0.422 30 20 DBED CNC(=O)C1(C(=O)N2CC[C@H]3OCCN(CC#N)[C@H]3C2)CC1 1177113359 STOYPFZZOVRASB-NWDGAFQWSA-N 306.366 -0.662 30 20 DBED C=CCN[C@H]1CCN(C(=O)CN(C)S(=O)(=O)N(C)C)[C@H]1C 1178704458 UXPXUEGDPCVQJI-RYUDHWBXSA-N 318.443 -0.510 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)c2ncccn2)[C@H]1C 1179759659 PJEOKHHHHSIVHN-AGIUHOORSA-N 315.377 -0.193 30 20 DBED C=CCNC[C@H]1CCN(C(=O)CNC(=O)CNC(C)=O)C[C@@H]1C 1184701133 ILGXFHPZBKSQBZ-GXTWGEPZSA-N 324.425 -0.501 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2ccn(CC)n2)C1 1186091190 ZVUHVKKURBETKI-CHWSQXEVSA-N 317.393 -0.155 30 20 DBED N#CCN[C@@H]1CCCO[C@@H]1C1CCN(C(=O)CNC(N)=O)CC1 1186114033 JFDCYJOGPORNJD-TZMCWYRMSA-N 323.397 -0.446 30 20 DBED C=CCn1cc(C(=O)N2CC[C@@H](NC[C@@H](O)COC)C2)nn1 1186177598 OKJPUSIMWLLRRL-VXGBXAGGSA-N 309.370 -0.725 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)Cn2ccnc2)C1 1188377008 SUKIQFJQMCNIJB-CHWSQXEVSA-N 305.382 -0.236 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)[C@H](C)n2cccn2)C1 1188974502 QDFPQBGWFHJQIN-KBPBESRZSA-N 317.393 -0.274 30 20 DBED CN(CC(=O)NCC#N)[C@@H]1CCN(C(=O)Cc2cnn(C)c2)C1 1189251216 OKDQTWRNPBLELK-CYBMUJFWSA-N 318.381 -0.865 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2cn(C)nc2C)C1 1189417667 AILCOQDAILFDSF-ZDUSSCGKSA-N 317.393 -0.376 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](N(C)Cc2nonc2C)C1 1189760699 OVTRUZBCWPYAHK-GFCCVEGCSA-N 319.365 -0.450 30 20 DBED C=CCOCCN(C)[C@H]1CCN(C(=O)c2nnc(O)nc2O)C1 1191163252 UQSJJHNGMPVVSG-JTQLQIEISA-N 323.353 -0.368 30 20 DBED CN(CC(=O)NCC#N)[C@H]1CCN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1191827905 ISIKNVNBWFWFMH-CIQGVGRVSA-N 306.366 -0.949 30 20 DBED CCn1cc(CN2C[C@@H](O)[C@H](NC(=O)C#CC(C)C)C2)nn1 1192761705 MQSWUTUCNQAFMY-ZIAGYGMSSA-N 305.382 -0.381 30 20 DBED C#CCC1(C(=O)N[C@@H]2CN(CC(=O)NCC)C[C@H]2O)CCC1 1193685366 LBZCLUAXLISNQE-CHWSQXEVSA-N 307.394 -0.523 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1194824247 GEXLIRZWMXPGPM-ZAJFYCSQSA-N 322.405 -0.226 30 20 DBED C=C(C)C[C@@H](C)C(=O)N[C@@H]1CN(CCS(C)(=O)=O)C[C@H]1O 1195531506 DTQVUTPRWQFELY-JHJVBQTASA-N 318.439 -0.205 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)c2csc(C)n2)C1 1195573761 URCPLELSKLMWRY-DGCLKSJQSA-N 309.391 -0.124 30 20 DBED Cc1nonc1CC(=O)N1CCCN(CC(=O)NCC#N)CC1 1197640505 XXOUMAKLZIKHRW-UHFFFAOYSA-N 320.353 -0.905 30 20 DBED C=CCN[C@H]1C[C@@H](NC(=O)CS(=O)(=O)NC)C12CCC2 1203743169 REXAYIKZMHBHSY-WDEREUQCSA-N 301.412 -0.261 30 20 DBED C=CCO[C@H](C)C(=O)N1CCC(N[C@@H]2CCC(=O)NC2=O)CC1 1204028912 RNDHITDWNUNOAY-DGCLKSJQSA-N 323.393 -0.037 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN(CC(=O)NC(N)=O)C[C@H]2C)C1 1208544848 XGDMFXKFUGRARH-GHMZBOCLSA-N 308.382 -0.026 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)c2ccncn2)C1 1210252747 CNRVPVXVIXIHDA-GFCCVEGCSA-N 303.366 -0.027 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2CCN(C)C2)C1 1211064243 LLGZUZNILXVWOD-KGLIPLIRSA-N 306.410 -0.732 30 20 DBED CO[C@@H]1CN(CCn2cncn2)C[C@H]1NC(=O)CSCC#N 1211888581 DCDAHGMXNWLPKX-VXGBXAGGSA-N 324.410 -0.650 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)c2ccncn2)C[C@H]1C 1215997445 PKJWZMSOAUZYLW-DGCLKSJQSA-N 301.350 -0.724 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2[C@@H](C1)OCCN2C(=O)CCOC 1217185375 AJOXDBAJUQBWAD-MELADBBJSA-N 323.393 -0.928 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)COCCN(C)C 1218965020 COBGYHGIXBBDPA-LSDHHAIUSA-N 309.410 -0.501 30 20 DBED CCc1occc1C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@@H]1O 1219556276 LOYTVWDABOBVDY-NEPJUHHUSA-N 320.349 -0.743 30 20 DBED CCN1CC[C@@H](N2C[C@H](O)[C@H](NC(=O)C#CC3CC3)C2)C1=O 1219593271 JWMOPEAYHLVINV-MCIONIFRSA-N 305.378 -0.818 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1 1219846807 FHFLPSVUVWTFKT-ILXRZTDVSA-N 313.442 -0.064 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)C(C)(C)COC)CC1 1228273449 DGUOZWJFVNDSME-UHFFFAOYSA-N 309.410 -0.011 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C1(C(N)=O)CC1 1228312902 PGSOHFKPVDDTAU-VXGBXAGGSA-N 322.409 -0.429 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC(NC(=O)c2nc[nH]n2)CC1 1229655380 IEFGSYWSGASIOA-SNVBAGLBSA-N 304.354 -0.863 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC(NC(=O)c2ccn(C)n2)CC1 1230267834 NMXAKKNUCGYBCA-GFCCVEGCSA-N 317.393 -0.248 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)c1ccnn1C 1231069385 CKMMDRGEQUJLSC-LBPRGKRZSA-N 303.366 -0.684 30 20 DBED CC(C)(C(N)=O)N1CCN(CC(=O)N[C@@](C)(C#N)C2CC2)CC1 1319107644 VZXBGOWNQBHNPG-INIZCTEOSA-N 321.425 -0.324 30 20 DBED C#CCNC(=S)N[C@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 1319955998 URPZGWRTHWZNJV-CMPLNLGQSA-N 302.421 -0.180 30 20 DBED CN(CCNC(=O)C(=O)N1CCO[C@@H](C#N)C1)c1ccccc1 1321445848 NKAZFDCPEOFWPE-AWEZNQCLSA-N 316.361 -0.010 30 20 DBED CC#CCCNC(=O)C(=O)N[C@H]1CCN(C2CCN(C)CC2)C1 1322723817 IIFSLZPGWCJHSE-AWEZNQCLSA-N 320.437 -0.199 30 20 DBED CC(C)C(=O)NCCN(C)C(=O)C(=O)Nc1cnn(CC#N)c1 1324701696 KKCVSCQBEXHNNW-UHFFFAOYSA-N 320.353 -0.424 30 20 DBED COCCCOCCN(C)C(=O)C(=O)N1CC[C@@](F)(C#N)C1 1325085764 VPKJQAUPGYYFLB-CQSZACIVSA-N 315.345 -0.038 30 20 DBED CCOC[C@H]1CCN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)C1 1326227808 PPKJZOXCJSSFOV-SWLSCSKDSA-N 309.366 -0.252 30 20 DBED CC#CC[C@H](CO)NS(=O)(=O)C[C@H]1CCCS(=O)(=O)C1 1326325753 NJTYONDNXLVBCN-NWDGAFQWSA-N 323.436 -0.495 30 20 DBED CC(C)(C)n1nnc(CNC(=O)C(=O)N2CC[C@@](F)(C#N)C2)n1 1327177707 QPFAIGICSHYTDE-CYBMUJFWSA-N 323.332 -0.492 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N[C@H](COC)C2CC2)nn1 1328099707 UGFCNGPKHPAQSI-GFCCVEGCSA-N 307.354 -0.379 30 20 DBED CCO[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)C1 1329448303 NXPAFRWCPWWRJS-DOMZBBRYSA-N 309.366 -0.109 30 20 DBED CN(CC(C)(C)CO)C(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1329452351 HVLFKBOAJMGYSU-CYBMUJFWSA-N 322.409 -0.338 30 20 DBED CS(=O)(=O)CCOCCNCc1cnc2c(C#N)cnn2c1 1329506652 JSFFYJXSANOLPC-UHFFFAOYSA-N 323.378 -0.248 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)NCC(C)(C)C(=O)NCC 1329518218 LDTZFFJVCNZWCN-UHFFFAOYSA-N 305.378 -0.250 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N(C)CC2(C)COC2)nn1 1330382164 OYOWUKQASPRKAK-UHFFFAOYSA-N 307.354 -0.425 30 20 DBED C=CC[C@H](CC)NC(=O)C(=O)N[C@H]1CS(=O)(=O)C[C@H]1OC 1330482255 QXIHCCORMCBOMI-GARJFASQSA-N 318.395 -0.615 30 20 DBED C[C@]1(CN)CCN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1 1330567888 NTMGAPTZBPROON-XJKSGUPXSA-N 319.409 -0.618 30 20 DBED N#Cc1ccc(C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)o1 1341930193 NHASWWZLAQVRGC-SNVBAGLBSA-N 321.314 -0.269 30 20 DBED Cc1cnccc1CCNC(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1345867755 IHLSBPMOBAXZQQ-INIZCTEOSA-N 316.361 -0.074 30 20 DBED C=CCN(C(=O)C(=O)N1CCN2C(=O)NC[C@@H]2C1)[C@@H](C)COC 1350278748 HNPZRBCSXVPWHT-NWDGAFQWSA-N 324.381 -0.728 30 20 DBED C[C@H](O)C[C@H](C)CNC(=O)CCn1cc(C#N)c(O)nc1=O 1362009285 AIVPFLCIUUMNED-UWVGGRQHSA-N 308.338 -0.266 30 20 DBED CO[C@H]1CCC[C@@H]1CNC(=O)Cn1cc(C#N)c(O)nc1=O 1362284142 IORGFRFZBALJBR-KOLCDFICSA-N 306.322 -0.248 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)NC1CN(c2ccncn2)C1 1364079328 YYRUNYGNMIFLLY-SNVBAGLBSA-N 310.383 -0.409 30 20 DBED N#CC1(CNC(=O)NC[C@H]2CC[C@H](C(N)=O)O2)CCOCC1 1364240916 SQHKCQMRBBNRSY-GHMZBOCLSA-N 310.354 -0.361 30 20 DBED CNS(=O)(=O)N1CCN(C[C@H](O)c2ccc(C#N)cc2)CC1 1365305292 UPZXLGKFRQLXTH-AWEZNQCLSA-N 324.406 -0.327 30 20 DBED CN(CCNC(=O)c1cc(C#N)c[nH]1)CCN1CCNC1=O 1371945046 YENMYLDGKBXTQA-UHFFFAOYSA-N 304.354 -0.427 30 20 DBED COCCn1ccc(C(=O)N[C@H](C)CNC(=O)[C@H](C)C#N)n1 1373060545 FIQPURCVYNYEBH-GHMZBOCLSA-N 307.354 -0.076 30 20 DBED CCN(CCNC(=O)[C@H](C)C#N)C(=O)c1ccc(C(N)=O)nc1 1373938050 JDKBIEHOQSPSHG-SNVBAGLBSA-N 317.349 -0.082 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)COc2ccsc2)C1 1384028998 YAXVAGDEYPUBOK-YUSALJHKSA-N 323.374 -0.026 30 20 DBED CC[C@@H](CNC(=O)CNC(=O)NC)NC(=O)c1cc(C#N)c[nH]1 1388099542 GQLIVFRVMVQKSP-JTQLQIEISA-N 320.353 -0.560 30 20 DBED C=C(Cl)CNC[C@@H](O)CNC(=O)c1ccnc(OC)n1 1392394052 SSPGNQKFWNFGSP-SECBINFHSA-N 300.746 -0.082 30 20 DBED C[C@@H](C#N)C(=O)N(C)C[C@H]1CCCN(C(=O)Cn2ncnn2)C1 1397084926 UKVNQLMVPXYZIU-NWDGAFQWSA-N 319.369 -0.470 30 20 DBED CCN1CCO[C@@H](C(=O)N2CCC(NC(=O)[C@@H](C)C#N)CC2)C1 1414663365 IGLZBBOOKBNJCY-GXTWGEPZSA-N 322.409 -0.026 30 20 DBED CC[C@@H](CNC(=O)c1cc(C(N)=O)ccn1)NC(=O)[C@@H](C)C#N 1432754444 UXZCYDITFGCJAT-ONGXEEELSA-N 317.349 -0.035 30 20 DBED COC(=O)[C@H]1C[C@H](NC(=O)CCn2cc(C#N)c(O)nc2=O)C1 1453963192 BSYILAHTQSVAJR-CZMCAQCFSA-N 320.305 -0.722 30 20 DBED C[C@H](C#N)C(=O)NCC1CCN(C(=O)c2ncn(C)n2)CC1 1492158645 OKFZUWQELIORGH-SNVBAGLBSA-N 304.354 -0.057 30 20 DBED C[C@@H](C(=O)N[C@H]1C[C@H](NC(=O)[C@H](C)C#N)C1)S(C)(=O)=O 1494071991 RRCBKIPSOPNOJO-UTINFBMNSA-N 301.368 -0.657 30 20 DBED CC[C@@H](NC(C)=O)C(=O)NCCN(C)C(=O)c1ccc(C#N)[nH]1 1496600339 MTWQGWUSWZNXQI-GFCCVEGCSA-N 319.365 -0.011 30 20 DBED CCCNC(=O)NC(=O)CN(C)CCN(C)C(=O)[C@H](C)C#N 1496679737 MPPRSCLCMGVBBO-LLVKDONJSA-N 311.386 -0.228 30 20 DBED N#Cc1c[nH]c(C(=O)NCC2(O)CN(Cc3cnon3)C2)c1 1500810043 QXNXEVLLTYRHCC-UHFFFAOYSA-N 302.294 -0.754 30 20 DBED N#Cc1ccc(C(=O)NC[C@H](O)CNC(=O)[C@@H]2CCCO2)[nH]1 1501408713 CKPSBNNHALLMSF-JQWIXIFHSA-N 306.322 -0.728 30 20 DBED CCN(CCNC(=O)[C@@H](C)C#N)C(=O)C1CCN(C(N)=O)CC1 1529069280 NORUJHZELQFPHM-NSHDSACASA-N 323.397 -0.099 30 20 DBED C[C@@H]1C[C@H]1C(=O)NC1(CCO)CN(C(=O)CSCC#N)C1 1571887475 CVVMEWFRIKOOBD-GHMZBOCLSA-N 311.407 -0.021 30 20 DBED C#CCN1CC2(C1)CN(C(=O)[C@H](C)OCc1cnn[nH]1)CCO2 1574966856 IWNAPVIKWQXAOK-LBPRGKRZSA-N 319.365 -0.744 30 20 DBED C#CCN(CC(=O)O)c1nnc(C[C@H]2CCCCNC2=O)n1C 1588426967 INSMJGHETUEPKL-LLVKDONJSA-N 319.365 -0.202 30 20 DBED C=C(C)CNC[C@@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 1588429047 MQWVVYWVBRYBGH-LLVKDONJSA-N 319.369 -0.207 30 20 DBED CN1CCCC[C@H]1C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[nH]1 1591189176 HAKYFILWXKFKLV-QMMMGPOBSA-N 301.314 -0.116 30 20 DBED N#Cc1ccc(CNC(=O)Cn2cnc(-c3nn[nH]n3)n2)nc1 1592693157 HMKAFWIVKBAGRN-UHFFFAOYSA-N 310.281 -0.959 30 20 DBED C[C@@]1(CCC(=O)O)NC(=O)N(CN2CCO[C@H](C#N)C2)C1=O 1594001662 ONRGWLCDNRVLOM-RNCFNFMXSA-N 310.310 -0.656 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@]1(C(=O)O)CCOC1 1596231642 RGZKCOAKOUJMLM-ZYHUDNBSSA-N 319.383 -0.206 30 20 DBED N#CCC1(CS(=O)(=O)N2CCC[C@@H](O)[C@@H]2C(=O)O)CC1 1601063513 YBZIGOCBYUPGND-NXEZZACHSA-N 302.352 -0.080 30 20 DBED N#Cc1cc(C(=O)O)cn(CC(=O)N[C@@H]2CCSC2=O)c1=O 1601086345 LGHLKWPIEUFWDQ-SECBINFHSA-N 321.314 -0.434 30 20 DBED Cc1cc(Cn2c(=O)c(C#N)cn(CC(=O)O)c2=O)nc(C)n1 1605179886 ROSDDHNXICPQJS-UHFFFAOYSA-N 315.289 -0.579 30 20 DBED COC(=O)[C@@H](CC(=O)O)NS(=O)(=O)c1ccc(C#N)cc1 1606325081 GVLXLPPZISTCQX-SNVBAGLBSA-N 312.303 -0.147 30 20 DBED C#C[C@H](CO)NCCC(=O)Nc1cccc(-c2nn[nH]n2)c1 1609018760 FXDNAZRZHISVOT-LLVKDONJSA-N 300.322 -0.221 30 20 DBED C[C@@H](C(=O)N(CC#N)CC(=O)O)S(=O)(=O)C1CCOCC1 1609632292 JKHPRQBFQASTPZ-VIFPVBQESA-N 318.351 -0.595 30 20 DBED COCCN(C(=O)NC[C@@H](C)C#N)[C@H]1CCS(=O)(=O)C1 1649746672 VNOOKISCCRZKHV-QWRGUYRKSA-N 303.384 -0.009 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCC[C@H](C)NCc1nnnn1C 1713410561 UHORESPQGRCALX-STQMWFEESA-N 319.413 -0.708 30 20 DBED C#CCNC(=O)CC(=O)N(C)[C@H](C)CNC(=O)C[C@H]1CCOC1 1725966449 CVUWYVBSGQPYLC-CHWSQXEVSA-N 323.393 -0.484 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)CN(C)CC(C)(C)C)C1 1731374531 DAKWDUMWBWMPKR-CQSZACIVSA-N 322.453 -0.096 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1C[C@@H](NC(=O)c2cc(OC)no2)C1 1752751926 SRVKSAREJXNKEQ-GARJFASQSA-N 320.349 -0.329 30 20 DBED CCN(CCNC(=O)c1ccnc(OC)n1)CC(=O)NCC#N 1753085517 DUFFUCRPXHNXNW-UHFFFAOYSA-N 320.353 -0.823 30 20 DBED CN(CCN1CCN(CC#N)CC1)C(=O)CCCCNC(N)=O 1753341672 BWHQOTUZNUEBNS-UHFFFAOYSA-N 324.429 -0.575 30 20 DBED C=CCNC(=O)NC(=O)CN1CC(NC(=O)C2(C3CC3)CC2)C1 1753379866 ISFGDKCRECBJFR-UHFFFAOYSA-N 320.393 -0.011 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(Cc2cnnn2C)CCO1 1753659673 ZJFISMWEBDALNE-CYBMUJFWSA-N 309.370 -0.665 30 20 DBED C#CCNC(=O)CNC[C@@H]1CCC[C@H]1NC(=O)c1ccncn1 1753900027 ROLSKJMVJAXRJY-QWHCGFSZSA-N 315.377 -0.286 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@H]1CNC(=O)Cc1cnn(C)c1 1754475195 MCAXJQJEOHBKMB-OCCSQVGLSA-N 317.393 -0.709 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@]1(C)CCN(CCn2cncn2)C1 1754670018 KHRZOEIURHCLEJ-DZGCQCFKSA-N 305.382 -0.103 30 20 DBED C#CCNC(=O)[C@H](C)N1CC(O)(CNC(=O)c2cc(C)co2)C1 1754772387 HCHFNYGROZEWKN-LBPRGKRZSA-N 319.361 -0.498 30 20 DBED C=CCCC(=O)N1CCO[C@H](CNCc2nc(=O)n(C)[nH]2)C1 1754996652 OHZRLFSJXCXHLV-LLVKDONJSA-N 309.370 -0.608 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)[C@H](CCCC)NC(N)=O)CO2)C1 1755067902 MKERYUFMHRQRES-OLZOCXBDSA-N 322.409 -0.194 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)CN(C)C(=O)C2CC2)C[C@@H]1C 1755120118 AOVYBXHEWLHNPL-DZGCQCFKSA-N 321.421 -0.059 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](CNC(=O)[C@H](CC)OCC)[C@H]2C1 1755418748 YNLSKKZLFSHFDX-XQLPTFJDSA-N 321.421 -0.155 30 20 DBED C#CCNC(=O)CN[C@@H](C)CN(C)C(=O)[C@@H]1CCO[C@H]1C1CC1 1755597399 WNTXKPWJKJPAIJ-BJJXKVORSA-N 321.421 -0.013 30 20 DBED Cc1ccc([C@H](C)C(=O)NC[C@H](CO)NCC(=O)NCC#N)o1 1755640762 PXIOWELDEILJBQ-NWDGAFQWSA-N 322.365 -0.602 30 20 DBED N#CCN[C@@H](CO)CNC(=O)c1ccc(-n2ccnn2)cc1 1755643831 RLLMOZZWOQQNOH-GFCCVEGCSA-N 300.322 -0.529 30 20 DBED C#CCCN(C)C[C@H](O)CN(C)C(=O)c1cc(C(N)=O)c[nH]1 1755807047 PCTNHEYJSNJXBF-LBPRGKRZSA-N 306.366 -0.498 30 20 DBED CNC(=O)C1(C(=O)NC2CC(CNC(=O)C#CC3CC3)C2)CC1 1755938917 JYUFNXIZEFQWJR-UHFFFAOYSA-N 317.389 -0.063 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H](C)N(C)C(=O)C1=COCCO1 1756026182 AXWDSLZBSCFSKG-NEPJUHHUSA-N 310.350 -0.124 30 20 DBED C#CCOCCC(=O)N1CC([C@H](C)NC(=O)[C@H]2COC(=O)N2)C1 1756140155 GTMDMLHDEGUNQX-CMPLNLGQSA-N 323.349 -0.902 30 20 DBED N#CCSCC(=O)N1CC2(CCN(C(=O)c3nc[nH]n3)C2)C1 1756827242 HUOCEYUDSFVTTM-UHFFFAOYSA-N 320.378 -0.264 30 20 DBED CO[C@@H]1CN(C(=O)C#CC(C)C)C[C@H]1NC(=O)c1cnon1 1757144168 LFSRXYPWYSOQRE-VXGBXAGGSA-N 306.322 -0.315 30 20 DBED C=C(C)C(C)(C)C(=O)N1C[C@H](O)[C@H](NC(=O)C2(C(N)=O)CC2)C1 1757205883 HBXWETNVTLRMMD-MNOVXSKESA-N 323.393 -0.458 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N1CCC(OCCO)CC1 1771689272 AHSJXIBZPGLEBC-LLVKDONJSA-N 305.400 -0.062 30 20 DBED C=C1C[C@@H](C(=O)O)N(Cc2nc(CS(C)(=O)=O)no2)C1 1776147305 OZNAUFUAIAFRCF-QMMMGPOBSA-N 301.324 -0.171 30 20 DBED C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3cc(CO)on3)C2)C1 1780398153 IAMONRHVTQHNLJ-OAHLLOKOSA-N 319.317 -0.756 30 20 DBED C[C@H](O)C(=O)N1CC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1783527659 KTBAOGYRZDWMGO-BLLLJJGKSA-N 321.377 -0.109 30 20 DBED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3CC(O)C3)C[C@@H]21 1790789671 JJDWHSXDTIJDAC-ASUPZPJHSA-N 306.362 -0.630 30 20 DBED N#CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCOC1 1801510947 ZPLDLWBODXRPKL-FMSGJZPZSA-N 307.350 -0.474 30 20 DBED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)C(F)F)C2)C1 1834760102 GMFCWUCXKVNCOW-CYBMUJFWSA-N 317.292 -0.378 30 20 DBED C#CC(=O)N1CC2(CCCN2C(=O)[C@H](C)N2CCN(C)CC2)C1 1845100294 SMWVGFNZFMAJBV-AWEZNQCLSA-N 318.421 -0.541 30 20 DBED C/N=C(/NCCN1CCCS1(=O)=O)NCc1ccccn1 263074145 CDTWDTHQVGSUBV-UHFFFAOYSA-N 311.411 -0.218 30 20 DBED COCCN/C(N)=N/C[C@@H](O)COc1ccc2c(c1)OCO2 264116475 STQQTARFHRNUDH-SNVBAGLBSA-N 311.338 -0.294 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCCCN2CCCC2)C1=O 264320998 XNKOBRFJJXAWSE-UHFFFAOYSA-N 322.365 -0.435 30 20 DBED C#CC(C)(C)NC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 265211111 LTRKLLWVQWDHBB-UHFFFAOYSA-N 317.349 -0.648 30 20 DBED CC#CC[C@@H](NS(=O)(=O)CC(C)(C)C(=O)OC)C(=O)O 287508292 LTDKWDFXYCBMBG-SECBINFHSA-N 305.352 -0.028 30 20 DBED CCOC(=O)COCCNS(=O)(=O)c1cncc(C#N)c1 295194183 AYRPILNVIKUGKL-UHFFFAOYSA-N 313.335 -0.189 30 20 DBED CN1CCO[C@@H]2CN(/C(O)=N/CCN3CCN=C(O)C3)C[C@@H]21 329266659 CWNKXVACTDYFGK-NWDGAFQWSA-N 311.386 -0.813 30 20 DBED C[C@@H]1CN(CC(C)(C)O)CCN1/C(O)=N/Cc1nnn(C)n1 330210257 CFLXASNLBLZSTD-SNVBAGLBSA-N 311.390 -0.599 30 20 DBED C[C@H](CO)N/C(O)=N/CCS(=O)(=O)N1CCSCC1 330376320 HMQYCTFSNZEYOE-SECBINFHSA-N 311.429 -0.751 30 20 DBED COCCN1CCN([C@@H](C)C(=O)N/C(O)=N/C(C)C)CC1=O 330603416 XHKMPYZSBFNNOS-NSHDSACASA-N 314.386 -0.396 30 20 DBED CNC(=O)[C@@H]1CCCCN1CC(=O)N/C(O)=N/[C@H](C)COC 330628296 YUKGEGKXWMPRKM-MNOVXSKESA-N 314.386 -0.348 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N1CSC[C@H]1C(=O)N(C)C 337079399 UORPXOKJYLSBKI-ZJUUUORDSA-N 320.440 -0.214 30 20 DBED N#Cc1cc(F)ccc1NC(=O)C(=O)NC[C@]1(O)CCOC1 339154880 YRDUXJBTKGYLDQ-CQSZACIVSA-N 307.281 -0.097 30 20 DBED C=CCNC(=O)NC(=O)CN[C@H](C1CC1)[C@@]1(CO)CCCO1 339763295 QTLYDZAKMMNVHW-HIFRSBDPSA-N 311.382 -0.092 30 20 DBED C=CC[C@@H](CO)CNC(=O)Nc1ccn(CC(=O)N(C)C)n1 341765624 VDMWBBLNMYBXAT-LLVKDONJSA-N 309.370 0.277 30 20 DBED COC(=O)C[C@@H](C)NC(=O)C(=O)Nc1nn(C(C)C)cc1C#N 344527396 FPCACXNMTKWXOI-SECBINFHSA-N 321.337 0.342 30 20 DBED C=CCC[C@H](O)CN[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 351233059 YWMPZKVKGWMTLN-MJBXVCDLSA-N 318.439 -0.599 30 20 DBED CN(CCC#N)S(=O)(=O)N1CC[C@@H](NC(=O)NC2CC2)C1 354676911 NXULJBQACAINDE-LLVKDONJSA-N 315.399 -0.387 30 20 DBED N#CCNC(=O)CNC(=O)N(CCO)Cc1cccc(F)c1 358314471 OTROPXZIKINGNX-UHFFFAOYSA-N 308.313 -0.031 30 20 DBED C=CCN(CCOC)C(=O)NC[C@@H]1CS(=O)(=O)CCO1 359249948 JTJMSKPSGUUJRH-LLVKDONJSA-N 306.384 -0.356 30 20 DBED C=CCOC[C@H](NS(=O)(=O)N(C)CC1CC1)C(=O)OC 360589917 YNYHHMKSMJCNSO-NSHDSACASA-N 306.384 -0.093 30 20 DBED C=C(C)COCCNC(=O)Nc1ncn(CC(=O)OCC)n1 425697487 DBSPRAOQPKLWGW-UHFFFAOYSA-N 311.342 0.555 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)Cc2cc(C)no2)CC1 491484652 KCWDGZSFMGQZCP-UHFFFAOYSA-N 318.377 -0.191 30 20 DBED N#C[C@]1(NC(=O)Cn2c(O)nc3ccccc3c2=O)CCOC1 548468526 PMRJZNNONQFYJQ-OAHLLOKOSA-N 314.301 -0.099 30 20 DBED C=CCn1cc(CNC(=O)N2CCN(C(=O)COC)CC2)nn1 567728420 XZXAJKONDKMQHH-UHFFFAOYSA-N 322.369 -0.536 30 20 DBED C[C@H]1CN(CCNS(=O)(=O)N(C)C[C@@H](C)C#N)CCO1 578084576 AZXIMPAIWSRITD-RYUDHWBXSA-N 304.416 -0.367 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@@H](C)C1(CO)CC1 594826615 GTBYFYCEHICECM-NSHDSACASA-N 305.400 -0.156 30 20 DBED N#CCc1ccc(OC[C@H](O)CN2C[C@@H](O)[C@@H](CO)C2)cc1 595539460 NDUGTVTZTFNVMZ-IIAWOOMASA-N 306.362 -0.223 30 20 DBED CS(=O)(=O)NC1CN(C(=O)COc2ccccc2C#N)C1 600335307 AHMJGSHIFRNUSF-UHFFFAOYSA-N 309.347 -0.303 30 20 DBED C[C@@H]1CN(c2cccc(S(N)(=O)=O)c2C#N)C[C@@H](CO)O1 755032139 QVGQIMZZKVXDJA-ZJUUUORDSA-N 311.363 -0.208 30 20 DBED C=CCNC(=O)COC(=O)c1coc(S(=O)(=O)NC)c1 756400664 DKPIFGNSBRUOQW-UHFFFAOYSA-N 302.308 -0.353 30 20 DBED COC(=O)CN(CC#N)S(=O)(=O)c1cn(C)c(Cl)n1 769906511 IVPAXUHRHAVURM-UHFFFAOYSA-N 306.731 -0.239 30 20 DBED CCOC(=O)CON=C(C(=O)NC1(C#N)CC1)c1cc[nH]n1 772286015 WWTDFLXMLXQSKK-UHFFFAOYSA-N 305.294 -0.134 30 20 DBED C#C[C@H](NC(=O)CCN1CCCS1(=O)=O)[C@H]1CCCO1 772891523 UXGPPHRBSZQZFN-NWDGAFQWSA-N 300.380 -0.291 30 20 DBED C#CCOc1ccccc1NC(=O)C(=O)NCC(=O)NCC 773135528 LCIMXTXXRDTPLV-UHFFFAOYSA-N 303.318 -0.111 30 20 DBED C#CCC[C@H](O)CNC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 799073953 WZWOIZROIIGHPB-LBPRGKRZSA-N 323.374 -0.626 30 20 DBED C#C[C@@H](NC(=O)C(=O)N(C)CCN(C)C1CC1)[C@H]1CCCO1 809305312 BDVAYURYHYFEJJ-ZIAGYGMSSA-N 307.394 -0.164 30 20 DBED C#C[C@H](NC(=O)C(=O)NC[C@H]1CCCN1CC)[C@H]1CCCO1 809312339 MHUDZEPFTLPOHO-HZSPNIEDSA-N 307.394 -0.116 30 20 DBED Cn1cc(S(N)(=O)=O)cc1C(=O)OCCOCCC#N 815177067 SQRNSRKEQFITNK-UHFFFAOYSA-N 301.324 -0.240 30 20 DBED C#CCNC(=O)CCNCc1cccc(CS(N)(=O)=O)c1 819004832 FDVOPQGZIZOAFC-UHFFFAOYSA-N 309.391 -0.296 30 20 DBED CNS(=O)(=O)[C@H]1CCN(C(=O)[C@](C)(C#N)CC(=O)O)C1 820641700 XXRXWKDJVHADDJ-KWQFWETISA-N 303.340 -0.859 30 20 DBED C=CCNC(=O)CNC(=O)[C@H](O)c1ccc(-c2nn[nH]n2)cc1 823920018 WTPGTQDZZUTILP-GFCCVEGCSA-N 316.321 -0.682 30 20 DBED COC(=O)C[C@@H]1C(=O)NCCN1C(=O)C#Cc1cccs1 824838112 LQNSXRSTWOHWHQ-LLVKDONJSA-N 306.343 -0.010 30 20 DBED C#CC[C@H](NS(=O)(=O)CC1(C(=O)OC)CCC1)C(=O)OC 841539390 JVZCYEWICFNTJQ-JTQLQIEISA-N 317.363 -0.186 30 20 DBED C#CCOCCNC(=O)N1CCC[C@H](C(=O)N2CCNCC2)C1 841874906 KQLVIXJTJCERSX-AWEZNQCLSA-N 322.409 -0.510 30 20 DBED C=CCn1cc(C(=O)NS(=O)(=O)c2cnc3n2CCC3)nn1 842770367 SFUQEXAGPNMYNP-UHFFFAOYSA-N 322.350 -0.275 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)OCc2ccn(CC)n2)C1=O 844750273 JSDZONNEISJSKY-UHFFFAOYSA-N 320.305 -0.077 30 20 DBED C/N=C(/NCCN1CCOCC1)NC[C@@H]1CCOC[C@@H]1OC 849036779 XOZXSLGZWYNLAJ-KBPBESRZSA-N 314.430 -0.465 30 20 DBED C#CCN1CCC[C@@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)C1 923581698 JNUMUDGPBKPERF-GFCCVEGCSA-N 318.381 -0.806 30 20 DBED CC(C)CN1C[C@H]2CN(C(=O)NCC#CCO)CCN2C1=O 923771878 ZBJWBJLLFOAUSW-CYBMUJFWSA-N 308.382 -0.231 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](NC(=O)c2ccc(C(N)=O)[nH]2)C1 938839918 IJYHIALYRXPDIU-BDAKNGLRSA-N 303.322 -0.396 30 20 DBED C[C@@H](C(=O)N(C)C)N1CC(N2CCN(C(=O)[C@H](C)C#N)CC2)C1 941348389 MWGGJQASDZTCMJ-OLZOCXBDSA-N 321.425 -0.549 30 20 DBED CC#CCN1CC[C@H](NC(=O)CN2CCNC(=O)C2)[C@H](C)C1 942560391 PIEAGAOMXXZTGR-KGLIPLIRSA-N 306.410 -0.732 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)c2ccc(O)nc2)C1 944773460 WDNZFRBGZUANRX-JQWIXIFHSA-N 318.333 -0.096 30 20 DBED CN(C(=O)[C@@H]1CCCN1C(N)=O)C1CN(C(=O)C#CC2CC2)C1 954672137 YBHSLMVHHIMRFT-ZDUSSCGKSA-N 318.377 -0.388 30 20 DBED CC#CCN1C[C@@H](O)[C@@H](CNC(=O)c2nc(C)c(C)nc2O)C1 958179220 KBKCNLLAZBKPIO-QWHCGFSZSA-N 318.377 -0.155 30 20 DBED C=C(C)CCN1C[C@H](CNC(=O)c2cn(C)c(=O)cn2)[C@@H](O)C1 958271513 GAHAJVXAMSPVQQ-JSGCOSHPSA-N 320.393 -0.231 30 20 DBED C=C(Cl)CN1C[C@H](CNC(=O)c2cnc(O)n2C)[C@@H](O)C1 958318687 FXIFBMCVULMLCE-ONGXEEELSA-N 314.773 -0.099 30 20 DBED C#CCCN1C[C@H](CNC(=O)c2cc(COC)on2)[C@@H](O)C1 958459404 PNOSUFQDHLODQK-FZMZJTMJSA-N 307.350 -0.133 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cc2ncc[nH]2)C1 958938164 GSDJWFNEDKHFJA-VWYCJHECSA-N 305.338 -0.858 30 20 DBED CC#CCN1C[C@@H]2C(NC(=O)c3ccoc3CC(N)=O)[C@H]2C1 961594004 CBHJNUJKCBDQTK-RYUDHWBXSA-N 301.346 -0.009 30 20 DBED C#CCNC1CCC(N(C)C(=O)CN2CCOCC2=O)CC1 963432365 JAKHHZKLSJTFDN-UHFFFAOYSA-N 307.394 -0.162 30 20 DBED C[C@H](C#N)C(=O)N1CCCC[C@@H]1CNC(=O)[C@H]1CCC(=O)N1 964575262 NKUODXJEXUHFIL-IJLUTSLNSA-N 306.366 -0.078 30 20 DBED Cc1nc[nH]c1C(=O)N[C@@H]1COC2(C1)CN(C(=O)[C@H](C)C#N)C2 965744650 RXNZGZYQDJBGOA-KOLCDFICSA-N 317.349 -0.023 30 20 DBED C[C@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)Cn1nccn1)C2 969805022 IRVACEBLIJNBGV-WOPDTQHZSA-N 302.338 -0.360 30 20 DBED C[C@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)C(C)(C)C(N)=O)C2 969817636 MOKGASFOJXZICU-VWYCJHECSA-N 306.366 -0.141 30 20 DBED C=CCN1CC[C@@H](N[C@@H]2CCN(C(=O)c3cnn(C)n3)C2)C1=O 970257730 UJJRTFLQIBEHGQ-VXGBXAGGSA-N 318.381 -0.594 30 20 DBED CN(CC#N)[C@@H]1CCN(C(=O)c2cn(C[C@H]3CCOC3)nn2)C1 972637072 FLDDMECQSIFBIT-CHWSQXEVSA-N 318.381 -0.016 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)Cc3cnn(C)c3)[C@H]2C1 976244386 JOESHTBHVXKIIP-PQFRYHKHSA-N 301.350 -0.305 30 20 DBED CN(C[C@H]1CCN1C(=O)CC(N)=O)C(=O)c1cc(C#N)c[nH]1 977524776 XZABEAJURSFOGY-SNVBAGLBSA-N 303.322 -0.565 30 20 DBED N#Cc1ccc(C(=O)N2C[C@@H]3CC[C@@H](NC(=O)C(N)=O)[C@H]3C2)[nH]1 979799465 AKVKVDJCWSMPHZ-INTQDDNPSA-N 315.333 -0.662 30 20 DBED C=CCN1CCCC2(C1)CN(C(=O)CN1C(=O)CNC1=O)C2 982141919 YFHPRZYPPZLDIA-UHFFFAOYSA-N 306.366 -0.351 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H](N(C)C(=O)Cn2cnnc2O)C1 984585464 LRACAUSSRQAYOY-GHMZBOCLSA-N 320.353 -0.407 30 20 DBED CC[C@@H]1[C@@H](NC(=O)Cn2ncnn2)CCN1C(=O)[C@@H](C)C#N 984912150 UUAFTZZJJFSZEW-GARJFASQSA-N 305.342 -0.672 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](NC(=O)c2cn(C)c(=O)cn2)[C@H]1C 989258224 SZXMEAQDLATPJB-MXWKQRLJSA-N 317.349 -0.341 30 20 DBED C[C@H](C#N)C(=O)N1CC(NC(=O)Cc2nnn(C(C)(C)C)n2)C1 991900912 KEQHLLUDBVYGEI-SECBINFHSA-N 319.369 -0.543 30 20 DBED C#CCN1CC[C@@]2(NC(=O)c3cn(C)c(=O)nc3O)CCC[C@@H]12 992493701 LHFWBUAWBFGBKZ-WBMJQRKESA-N 316.361 -0.154 30 20 DBED C[C@@H]1[C@@H](NC(=O)Cn2ccc(O)nc2=O)CCCN1CC#N 993570903 QBCBSECMVCXSKH-MNOVXSKESA-N 305.338 -0.558 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)Cc3ccn(C)n3)C2)cn1 997089840 LNKRJLYDKOASQT-UHFFFAOYSA-N 323.356 -0.020 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)Cc3cncn3C)C2)cn1 997092695 IHOXQIRPMGQWRN-UHFFFAOYSA-N 323.356 -0.020 30 20 DBED N#CCN[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 999146812 XWTBVGBMHSLDCC-NEPJUHHUSA-N 316.365 -0.133 30 20 DBED C#CCN[C@@H]1CCCN(C(=O)C[C@@]2(C)CCS(=O)(=O)N2)C1 1000789722 OTGUHLRMFINCDN-TZMCWYRMSA-N 313.423 -0.328 30 20 DBED CN(C(=O)C(N)=O)C1CCC(NC(=O)c2c[nH]c(C#N)c2)CC1 1004206637 SFBNHEKBWOLDBV-UHFFFAOYSA-N 317.349 -0.129 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@H]1CN2C(=O)C1(C(N)=O)CC1 1007492219 IKXNLPOWZVIFPK-GARJFASQSA-N 304.350 -0.387 30 20 DBED CC1(C)CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1NC(=O)C(N)=O 1008520136 GMIFWBFMXBGJIC-JTQLQIEISA-N 303.322 -0.662 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCCN([C@@H]3CCNC3=O)C2)nn1 1008791968 CKOYJDAJISMCGV-WCQYABFASA-N 318.381 -0.453 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCCN(C(=O)[C@@H]3CNC(=O)N3)C2)C1 1010829030 CTSCFXKYDWBXJH-MNOVXSKESA-N 319.365 -0.722 30 20 DBED C#Cc1cncc(C(=O)N[C@H]2CCN(C(=O)CC(N)=O)[C@H]2C)c1 1011590280 RIQHEQBEJOBUBB-GWCFXTLKSA-N 314.345 -0.343 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1[C@H]2CN(C(=O)c3cnn[nH]3)C[C@H]12 1013821874 SJLYJXJJEILQNZ-WDCWCFNPSA-N 317.349 -0.418 30 20 DBED N#Cc1ccc(CN2CC[C@H](NC(=O)[C@@H]3CNC(=O)N3)C2)s1 1015635704 VWKJKHYCOXGSEY-CABZTGNLSA-N 319.390 -0.008 30 20 DBED C=CCCN1CC[C@H](NC(=O)[C@@H]2CCN(C)S2(=O)=O)C1 1015825544 MAUJQIGJRASABE-RYUDHWBXSA-N 301.412 -0.213 30 20 DBED C[C@@H]1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)CN1C(=O)CC(N)=O 1018088184 MWMIBFJRGTXVSE-MWLCHTKSSA-N 317.349 -0.129 30 20 DBED N#CCN[C@H]1CCN(C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 1018839047 LFEWUCAUYSJSAM-MNOVXSKESA-N 302.338 -0.523 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](NCc2nc(=O)n(C)[nH]2)C1 1020604892 STCIOTLBFYQPKZ-KKOKHZNYSA-N 321.381 -0.564 30 20 DBED C#CCN1CCCC[C@H]1CNC(=O)[C@H]1CN(C(C)=O)CCO1 1024785783 PKKIEMDKMHYHPQ-LSDHHAIUSA-N 307.394 -0.162 30 20 DBED C=CCN[C@@H]1CC[C@H]2CN(C(=O)c3cn(CC(N)=O)nn3)C[C@H]21 1026425228 CMLKRXYIZINJNT-QJPTWQEYSA-N 318.381 -0.610 30 20 DBED CC#CCN1[C@H]2CC[C@H]1CN(C(=O)c1nnc(O)nc1O)C2 1029380266 RFXCSJDQZWCZPC-UWVGGRQHSA-N 303.322 -0.405 30 20 DBED N#Cc1ccc(C(=O)NC2CN(C[C@@H]3CCS(=O)(=O)C3)C2)[nH]1 1030225215 TUXMDHWDYHWJQK-JTQLQIEISA-N 322.390 -0.265 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@@H]2CN([C@@H]3CCNC3=O)CCO2)c1 1035327043 SABBZMQUCRUGMP-DGCLKSJQSA-N 317.349 -0.795 30 20 DBED C=CCN1CCO[C@@H](CNC(=O)c2cn(CCOC)nn2)C1 1035368905 UAEIZCKSOORKBG-LBPRGKRZSA-N 309.370 -0.459 30 20 DBED CC#CCN1CCO[C@@H](CNC(=O)c2ncc(OC)cn2)C1 1035437367 DLUMEHBBSCFQJU-ZDUSSCGKSA-N 304.350 -0.061 30 20 DBED C=CCN1CC[C@H]2CN(C(=O)Cn3ncn(C)c3=O)CC[C@H]21 1036753685 UVJWACBCFGEEEM-QWHCGFSZSA-N 305.382 -0.309 30 20 DBED N#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CC(=O)NC1=O 1039477964 RJFFCDIXJXCSKR-UTUOFQBUSA-N 304.350 -0.372 30 20 DBED C=CCCC(=O)N1CC[C@@](O)(CNC(=O)c2ncn(C)n2)C1 1039619749 PJBMNVMHJNHLEI-CQSZACIVSA-N 307.354 -0.526 30 20 DBED C=CCCC(=O)N1CC[C@](O)(CNC(=O)[C@H]2CN(C)C(=O)N2)C1 1040485811 OAZKHBCXRONXBU-ABAIWWIYSA-N 324.381 -0.944 30 20 DBED C=CCCCC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2CNC(=O)N2)C1 1040726240 ZPCQAFAAOSILPV-XHDPSFHLSA-N 324.381 -0.896 30 20 DBED C[C@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)Cc2cscn2)C1 1040766692 RVDVCRRFOVVAMY-QMTHXVAHSA-N 322.390 -0.075 30 20 DBED Cc1nonc1C(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@H]1O 1041078470 AZBSIALRYAJMRO-ZYHUDNBSSA-N 314.305 -0.376 30 20 DBED C=CCn1cc(C(=O)N2CC(O)(CNC(=O)[C@@H](C)CC)C2)nn1 1041562669 HGSJXIXYCMHGJV-NSHDSACASA-N 321.381 -0.187 30 20 DBED C[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1NC(=O)[C@H]1COCCO1 1041787098 NQMKHUJTFJCCMQ-RAIGVLPGSA-N 317.349 -0.295 30 20 DBED N#CCN1CC[C@]2(CCN(C(=O)c3nccnc3C(N)=O)C2)C1 1041822151 KSHYKKUFOARXTN-HNNXBMFYSA-N 314.349 -0.363 30 20 DBED C[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1NC(=O)c1cnnn1C 1041871205 KEEUNXRQICLYSF-NXEZZACHSA-N 312.337 -0.269 30 20 DBED C=CCN1CC[C@H](N2CC(N(C)C(=O)[C@H]3COCCO3)C2)C1=O 1042494695 LAQQFCWVLIUPCW-UONOGXRCSA-N 323.393 -0.669 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)CC2(O)CCC2)C1 1042802071 CPZPBGLRTAKOIW-UHFFFAOYSA-N 308.378 -0.216 30 20 DBED N#Cc1cnccc1N1C[C@H](O)[C@H](NC(=O)c2cncnc2)C1 1043917875 JYMDQKBHVFEMBV-OCCSQVGLSA-N 310.317 -0.277 30 20 DBED Cn1cc(C(=O)N[C@@H]2CN(c3ccncc3C#N)C[C@@H]2O)nn1 1043929075 KKAMFVAPZOYGHA-MFKMUULPSA-N 313.321 -0.939 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)Cn3ccnc3)C2)nc1 1044024676 QEIGQLXVKRRYTH-OLZOCXBDSA-N 312.333 -0.484 30 20 DBED CNC(=O)CCCCC(=O)N1CC(O)(CNC(=O)[C@@H](C)C#N)C1 1045564398 GRETXLHVPXNIER-NSHDSACASA-N 324.381 -0.858 30 20 DBED CC#CCN1[C@H]2CC[C@H]1CN(C(=O)[C@@H]1CC(=O)NC(=O)N1)CC2 1045856327 HTCUZPOUEMFXEU-AVGNSLFASA-N 318.377 -0.327 30 20 DBED N#CCN1CC[C@H](N2CCN(C(=O)CC3OCCCO3)CC2)C1 1046022846 YZENMSHPCGJZQP-AWEZNQCLSA-N 322.409 -0.118 30 20 DBED Cc1nc(O)[nH]c1C(=O)N1CCN([C@@H]2CCN(CC#N)C2)CC1 1046036538 AYFAVRQJYHCGRK-GFCCVEGCSA-N 318.381 -0.221 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCC1(O)CN(C(=O)c2cc[nH]n2)C1 1046813930 CEHLLGCBUBEUSK-PWSUYJOCSA-N 320.349 -0.696 30 20 DBED C=CCC(C)(C)C(=O)N1CC(O)(CNC(=O)Cc2nc[nH]n2)C1 1046905468 SDUCWUOLTHPHRJ-UHFFFAOYSA-N 321.381 -0.361 30 20 DBED CC(C)CN1C[C@H](C(=O)N(C)[C@H]2CN(CC#N)C[C@@H]2O)CC1=O 1047401627 ZSSHASILHRVEIV-RDBSUJKOSA-N 322.409 -0.482 30 20 DBED NC(=O)CC(=O)N1C[C@H]2C[C@H](NC(=O)C#CC3CC3)C[C@H]1C2 1047522780 MAZWWSMQHOCOHH-RWMBFGLXSA-N 303.362 -0.229 30 20 DBED COCCN1C[C@H](C(=O)N2C[C@@H]3CN(CC#N)C[C@@H]3C2)CC1=O 1048849054 KSBVTCWFLSJZIX-MCIONIFRSA-N 320.393 -0.605 30 20 DBED Cc1ccnn1CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)C#N)C1 1049401275 CUBXLLNQLIYLFI-DRZSPHRISA-N 319.365 -0.619 30 20 DBED Cn1cc(C(=O)N2CC3(CCN(CC#N)CC3)C2)ncc1=O 1050598107 VXPVYZUXMQQEPB-UHFFFAOYSA-N 301.350 -0.158 30 20 DBED C[C@@H]1[C@@H](NC(=O)c2nnn(C)n2)CCN1c1cncc(C#N)n1 1050897303 XBNUFWOXDGEZMX-SCZZXKLOSA-N 313.325 -0.731 30 20 DBED C#CCCN1CCOC[C@@H]1CNC(=O)[C@@H]1CCCN1C(C)=O 1051214080 HFUJTDVRXPZSKY-GJZGRUSLSA-N 307.394 -0.162 30 20 DBED C#CCN1CCN([C@@H]2CCN(C(=O)[C@@H](C)n3cncn3)C2)CC1 1052017191 FNBHYYLIVALIOR-HUUCEWRRSA-N 316.409 -0.309 30 20 DBED C[C@H]1CN(C(=O)CSCC#N)C[C@@H]1CNC(=O)c1nc[nH]n1 1052043933 GFDJPMPYPQOONT-UWVGGRQHSA-N 322.394 -0.114 30 20 DBED C[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1CNC(=O)CCNC(N)=O 1052554365 OOXRZTQYYIAZBF-AAEUAGOBSA-N 320.393 -0.331 30 20 DBED C=CCCN1CC2(C1)CN(C(=O)[C@H]1CCN(C)C1=O)CCO2 1053382752 LQVAAEJIKBUAQT-ZDUSSCGKSA-N 307.394 -0.046 30 20 DBED C=CCN[C@H]1CN(C(=O)Cn2ccc(=O)n(C)c2=O)C[C@H]1C 1054710352 NKYNXJGKJBTBEH-NEPJUHHUSA-N 306.366 -0.831 30 20 DBED C#CCCCC(=O)N1C[C@H]2CN(C(=O)Cn3cnnn3)C[C@H]2C1 1055158936 AIWIEDYVUYPROC-BETUJISGSA-N 316.365 -0.607 30 20 DBED C=CCCO[C@@H](C)C(=O)N1C[C@H]2CN(C(=O)C(N)=O)C[C@H]2C1 1055222576 ANBOYJHNWFXNCK-SDDRHHMPSA-N 309.366 -0.630 30 20 DBED CCn1cc(C(=O)N2CCN(c3cncc(C#N)n3)CC2)nn1 1055886154 NRRBFZIUUIMKFI-UHFFFAOYSA-N 312.337 -0.078 30 20 DBED C#CCCCCC(=O)N[C@@]1(CO)CCCN(C(=O)C(N)=O)C1 1055894530 FPTAMOJDSCBHGK-HNNXBMFYSA-N 309.366 -0.865 30 20 DBED C=C1CCC(C(=O)N2CCC[C@@](CO)(NC(=O)C(N)=O)C2)CC1 1056088412 SWMRIASZBOOYAE-MRXNPFEDSA-N 323.393 -0.312 30 20 DBED N#Cc1nccnc1N1C[C@@H]2C(NC(=O)[C@H]3CCC(=O)N3)[C@H]2C1 1056146445 HAKVFCKVOZGUES-LPEHRKFASA-N 312.333 -0.822 30 20 DBED CC(=O)N1CC(C(=O)N2CC[C@@H](Nc3cncc(C#N)n3)C2)C1 1056618056 MJUJZWVDNOEVJV-GFCCVEGCSA-N 314.349 -0.161 30 20 DBED C#CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)c1ccncn1 1057584524 MZTNEGZPXMAZNE-LBPRGKRZSA-N 320.349 -0.934 30 20 DBED C[C@@]1(C(=O)N[C@@H]2CCN(c3cnc(C#N)cn3)C2)CCC(=O)N1 1058536181 DKBFXRLCULPYQG-BMIGLBTASA-N 314.349 -0.288 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)Cc1ccc(F)cn1 1058659008 QKYLPIFJWYXPOF-LLVKDONJSA-N 322.340 -0.140 30 20 DBED Cc1cc(C#N)nc(N[C@H]2CCN(C(=O)[C@H]3CCC(=O)N3)C2)n1 1058847487 HFXLEZWOFDRJPR-CMPLNLGQSA-N 314.349 -0.052 30 20 DBED N#Cc1nc(=N[C@H]2CCN(C(=O)Cc3cncnc3)C2)cc[nH]1 1058880415 VYSFMCUYMRYONV-LBPRGKRZSA-N 309.333 -0.184 30 20 DBED C[C@@]1(C(=O)N2CC[C@H](Nc3cncc(C#N)n3)C2)CCNC1=O 1059063053 MLQOZPHQWXNXGO-ZUZCIYMTSA-N 314.349 -0.113 30 20 DBED C=CCO[C@H](C)C(=O)NCC[C@@H]1CCN(C(=O)CC(N)=O)C1 1059383240 QBEJXSOTMYHICX-VXGBXAGGSA-N 311.382 -0.192 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H]1COCCN1C(=O)[C@H]1C[C@@H]1C 1061517758 FIPKJRPCKMBXDA-XQQFMLRXSA-N 321.377 -0.875 30 20 DBED N#Cc1ccc(N2CC[C@H](CNC(=O)[C@@H]3COCCO3)C2)nn1 1061525106 IOIIBBNSVYTUNU-YPMHNXCESA-N 317.349 -0.294 30 20 DBED C#CCCCC(=O)NC[C@@H]1COCCN1C(=O)c1[nH]nnc1C 1061533635 DFXVBGRBTJZCIS-GFCCVEGCSA-N 319.365 -0.126 30 20 DBED C#CCOCCC(=O)N1CCOC[C@H]1CNC(=O)C#CC1CC1 1061572510 XGHJHNSJILUTHO-OAHLLOKOSA-N 318.373 -0.217 30 20 DBED CC(C)(C)C#CC(=O)NC[C@@H]1COCCN1C(=O)CNC(N)=O 1061573519 UQVFJAWQDHPFDC-LLVKDONJSA-N 324.381 -0.952 30 20 DBED Cn1ncc(C(=O)NC[C@@H]2CCN(c3ccnc(C#N)n3)C2)n1 1061622957 NDSOSPCAFPLHGW-JTQLQIEISA-N 312.337 -0.267 30 20 DBED O=C(C#CC1CC1)N1CCOC[C@@H]1CNC(=O)[C@]1(F)CCOC1 1061807636 BAPJJBCGGVIIRT-BBRMVZONSA-N 324.352 -0.128 30 20 DBED C#CCCCC(=O)NCC1(NC(=O)[C@H]2CN(C)C(=O)N2)CCC1 1062863642 QWVFEOGPXLZZCL-GFCCVEGCSA-N 320.393 -0.031 30 20 DBED O=C(C#CC1CC1)NC1(CNC(=O)[C@H]2CCNC2=O)CCC1 1063908069 SMMFYJNRCNCKMR-LBPRGKRZSA-N 303.362 -0.309 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)C[C@H]2CC(=O)NC2=O)CCC1 1064309876 CMNXIPYQQYYTLR-VHSXEESVSA-N 320.349 -0.646 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CN(C(=O)c2cnccn2)CCO1 1064789347 FYSFFKKRSGDSEV-WDEREUQCSA-N 303.322 -0.407 30 20 DBED C#CCOCCC(=O)N1CCO[C@H](CNC(=O)CCOC)C1 1065150185 NFSCXCXXWPSHJS-CYBMUJFWSA-N 312.366 -0.594 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)Cc2ncc[nH]2)CCO1 1065520701 AVGDNYUWOKSOMN-LBPRGKRZSA-N 322.365 -0.502 30 20 DBED N#Cc1c[nH]ccc1=N[C@@]1(CO)CCCN(C(=O)CC(N)=O)C1 1066896983 RMTIOICZATUPHR-HNNXBMFYSA-N 317.349 -0.984 30 20 DBED N#Cc1ccc(N2C[C@H]3C(CNC(=O)c4cnn[nH]4)[C@@H]3C2)nn1 1068210062 PYHRLSAFKRCCLE-QWRGUYRKSA-N 310.321 -0.421 30 20 DBED C=CCOCC(=O)N[C@@H]1COC2(C1)CN(C(=O)c1cn[nH]c1)C2 1068763860 DKKMHMHLDNRHFX-LBPRGKRZSA-N 320.349 -0.288 30 20 DBED C=CCOCC(=O)N1CC2(C[C@@H](NC(=O)c3nc[nH]n3)CO2)C1 1068955190 SXLDNXKHQPTPJX-SNVBAGLBSA-N 321.337 -0.893 30 20 DBED C=C[C@H](CC)CC(=O)N[C@@H]1COC2(C1)CN(C(=O)C(N)=O)C2 1068976304 UVQVZFKTEBBUDI-MNOVXSKESA-N 309.366 -0.440 30 20 DBED C=C(Cl)CN[C@@H]1CN(C(=O)C(N)=O)C[C@H]1c1cn(C)cn1 1070528145 XPXIDJRHTYKDRW-GXSJLCMTSA-N 311.773 -0.458 30 20 DBED C=CCCN1C[C@H]2C[C@@H]3CN(C(=O)[C@@H]4COC(=O)N4)C[C@@]3(C1)O2 1070793262 DCDYNPLVQUQDPK-NFFDBFGFSA-N 321.377 -0.027 30 20 DBED CC#CCN1CC[C@]2(C1)CN(C(=O)Cn1nccn1)C[C@H](C)O2 1071174169 UOZWZPDZJKFLKG-HOCLYGCPSA-N 317.393 -0.007 30 20 DBED C#CCN1CC[C@@]2(C1)CN(C(=O)CCn1cnnn1)C[C@H](C)O2 1071223762 UANJGPPCDSZNDK-DZGCQCFKSA-N 318.381 -0.612 30 20 DBED CC#CCN1CCO[C@H]2CCN(C(=O)Cc3n[nH]c(C)n3)C[C@H]21 1074238024 JEEBUWULVFXZQG-KGLIPLIRSA-N 317.393 -0.019 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)c3ccc(=O)n(C)n3)C[C@H]21 1074400638 UVNVWFMXKVNZGM-KGLIPLIRSA-N 316.361 -0.671 30 20 DBED C[C@H]1[C@@H](NCC#N)CCN1C(=O)C[C@@]1(C)CCS(=O)(=O)N1 1075073144 YNWDOEHJQUZBGT-GMXVVIOVSA-N 314.411 -0.439 30 20 DBED C[C@@H](CCNC(=O)c1c[nH]c(C#N)c1)NC(=O)c1nc[nH]n1 1076216452 AXMQXRYGPFUZIO-QMMMGPOBSA-N 301.310 -0.057 30 20 DBED C#CCOCCC(=O)NCC[C@H](C)NC(=O)c1cn(CC)nn1 1076505259 NMNGWTIXWVEGFW-LBPRGKRZSA-N 321.381 -0.038 30 20 DBED C#CCN1C[C@@H]2CCN(C(=O)Cn3nc(C)n(C)c3=O)[C@@H]2C1 1076517360 LESIGCIWTSIUSR-QWHCGFSZSA-N 303.366 -0.944 30 20 DBED C[C@@H](CCNC(=O)[C@@H]1CCNC1=O)NC(=O)CSCC#N 1077733872 XPWJBQUCTYIADC-UWVGGRQHSA-N 312.395 -0.610 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H](C)CCNC(=O)[C@]1(C)CCC(=O)N1 1078250354 OMVZXNSMFAZECP-MKBNYLNASA-N 323.393 -0.296 30 20 DBED C#CCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)CC(=O)N(C)C)C1 1079777260 WTUXQZAUXQGCJD-LBPRGKRZSA-N 323.393 -0.438 30 20 DBED C=CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)CC(=O)NC)C1 1079980128 WWYRGYLNUVVPOC-LLVKDONJSA-N 311.382 -0.227 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(CC(=O)NC)C[C@H]2C)nc1 1080808379 WVYCMDYLJUCXEJ-BXUZGUMPSA-N 300.362 -0.141 30 20 DBED CCCN(C)CC(=O)NC1(CO)CCN(C(=O)[C@@H](C)C#N)CC1 1080930459 XICUIFYXSITVAD-ZDUSSCGKSA-N 324.425 -0.042 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H]1CN(C(=O)CCCC)C[C@H]1O 1081416129 BMRXOSZUZQRTOG-QWHCGFSZSA-N 323.393 -0.748 30 20 DBED C=C(C)CCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2ncn(C)n2)C1 1081452843 LYMBOMZPXRQZSQ-VXGBXAGGSA-N 321.381 -0.280 30 20 DBED C#CCN1C[C@@H](NC(=O)Cc2nnn(C(C)(C)C)n2)[C@H](OC)C1 1081726089 NSJLWQFKZVCPRW-VXGBXAGGSA-N 320.397 -0.581 30 20 DBED C#CCCN1C[C@@H](NC(=O)c2ccnc3[nH]nnc23)[C@H](OC)C1 1081928152 KHQGRPJOLATOSM-VXGBXAGGSA-N 314.349 -0.195 30 20 DBED CC#CCN1C[C@@H](NC(=O)[C@H]2CCCCN2C(N)=O)[C@H](OC)C1 1082320119 XDOMOHSNSMFTCO-MGPQQGTHSA-N 322.409 -0.242 30 20 DBED C#CCCN1C[C@@H](NC(=O)c2cccn(C)c2=O)[C@H](OC)C1 1082331895 JJNMPQJRLJPKOW-ZIAGYGMSSA-N 303.362 -0.162 30 20 DBED C=CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CCc2nncn2C1 1083283275 SDISDSZTTRQPNR-MELADBBJSA-N 317.393 -0.062 30 20 DBED C=CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cc(C(N)=O)ccn1 1083295090 HWIVHMMYIMYZEJ-UONOGXRCSA-N 316.361 -0.108 30 20 DBED CC#CCN1CC[C@@H](OCC2CCN(C(=O)C(N)=O)CC2)C1 1088237486 VSFSDVFJDWPWLN-CQSZACIVSA-N 307.394 -0.176 30 20 DBED CC#CCN1CC[C@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)[C@H]1C 1089020937 LWSMMFGRSVNFON-NEPJUHHUSA-N 320.393 -0.081 30 20 DBED CNC(=O)CC(=O)N1CC[C@H]2CN(c3cnc(C#N)cn3)C[C@H]21 1090309881 ONNVCTVBKMFNBK-CMPLNLGQSA-N 314.349 -0.479 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2c(C)nnn2CC)[C@@H](O)C1 1090321699 HPMIIQBQBGXUST-STQMWFEESA-N 305.382 -0.205 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)c2cccnc2C(N)=O)[C@@H](O)C1 1090824088 KRQNXPJHPXVWAN-STQMWFEESA-N 318.377 -0.078 30 20 DBED C=CCCN1C[C@@H]2CN(C(=O)C[C@@H]3NC(=O)NC3=O)C[C@]2(C)C1 1091748238 HCIVJNPPCILYBQ-WQGACYEGSA-N 320.393 -0.059 30 20 DBED C[C@H](NC(N)=O)C(=O)N1CCN(c2nccnc2C#N)CC1 1093145424 PKCIJKCLNMDDPV-VIFPVBQESA-N 303.326 -0.946 30 20 DBED CC(=O)N[C@H](C)C(=O)NC1[C@@H]2CN(c3ccnc(C#N)n3)C[C@@H]12 1093206909 ARBRSHFNYFVASC-FBIMIBRVSA-N 314.349 -0.576 30 20 DBED C#CCN1CC(OC2CCN(C(=O)[C@H]3CCC(=O)N3C)CC2)C1 1093563716 AUVCIORYTWSIEE-OAHLLOKOSA-N 319.405 -0.068 30 20 DBED CN1C[C@H](C(=O)NCCN=c2cc[nH]c(C#N)n2)CCC1=O 1093679876 FSPNJLFHIJZRBE-SNVBAGLBSA-N 302.338 -0.833 30 20 DBED Cc1nc(NCCNC(=O)C[C@@H]2CC(=O)NC2=O)ccc1C#N 1093716950 AMOOTIBGENGEEY-LLVKDONJSA-N 315.333 -0.157 30 20 DBED CN1C(=O)CC[C@@H]1CC(=O)NCCNc1nccnc1C#N 1094055338 BLDIJFGJRNWCEV-SNVBAGLBSA-N 302.338 -0.113 30 20 DBED CC(C)N1C[C@H](C(=O)NCCN=c2cc[nH]c(C#N)n2)CC1=O 1094192997 GGMXNKQHJOSWGU-LLVKDONJSA-N 316.365 -0.445 30 20 DBED C#CCNC(=O)CC(=O)NCCCNc1nc(C)cc(C#N)n1 1094372712 VCVOAIJSZHMPDB-UHFFFAOYSA-N 314.349 -0.286 30 20 DBED N#Cc1cncc(NCCCNC(=O)[C@H]2CCNC(=O)C2)n1 1094382408 YBLMIPHALNMGEG-JTQLQIEISA-N 302.338 -0.207 30 20 DBED CN1C[C@H](C(=O)NCCCNc2ccc(C#N)nn2)NC1=O 1094709217 LOJTXJIIORSWFN-SNVBAGLBSA-N 303.326 -0.710 30 20 DBED Cc1nc(N2CCCN(C(=O)CNC(N)=O)CC2)ccc1C#N 1095164558 XSYODUZWDJCPTK-UHFFFAOYSA-N 316.365 -0.031 30 20 DBED CCS(=O)(=O)CC(=O)N[C@H]1C[C@@H](Nc2nccnc2C#N)C1 1097191594 SSKUYLAWKXVUIS-AOOOYVTPSA-N 323.378 -0.158 30 20 DBED C[C@@H](CCNC(=O)c1ncn(C)n1)N=c1cc[nH]c(C#N)n1 1099114594 BJCSQBSNGVJAIC-VIFPVBQESA-N 300.326 -0.481 30 20 DBED C#CCN1CC[C@@H](NC(=O)CCCn2nc(C)nc2C)[C@H](O)C1 1100071562 GBZRZXXWEGNRNN-HUUCEWRRSA-N 319.409 -0.140 30 20 DBED C#CCN1CC[C@H](NC(=O)C(C)(C)CS(C)(=O)=O)[C@H](O)C1 1100136060 HFNLQHPNSGXWKF-NWDGAFQWSA-N 316.423 -0.758 30 20 DBED C#CCN1CC[C@H](NC(=O)C(C)(C)CS(C)(=O)=O)[C@@H](O)C1 1100136061 HFNLQHPNSGXWKF-RYUDHWBXSA-N 316.423 -0.758 30 20 DBED CCN(CCNC(=O)[C@@H]1CC[C@H]1C(N)=O)c1nccnc1C#N 1100695680 ZIQRCNYTTDSRRK-GHMZBOCLSA-N 316.365 -0.198 30 20 DBED N#Cc1ccc(N2CC[C@H](CNC(=O)Cn3cncn3)C2)nn1 1100981632 LWGJZFXKCTXAAJ-LLVKDONJSA-N 312.337 -0.418 30 20 DBED CN(C)C(=O)CC(=O)NC[C@H]1CCN(c2ccc(C#N)nn2)C1 1101061181 UQSPAYHFZAIHSE-LLVKDONJSA-N 316.365 -0.231 30 20 DBED CCC(=O)NCC(=O)NCCN(c1ccc(C#N)nn1)C1CC1 1101305769 SKYJCQMLRNKDRH-UHFFFAOYSA-N 316.365 -0.041 30 20 DBED C=CCO[C@H](C)C(=O)NC[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1102609569 DMTJUXLTNAFNEZ-MGPQQGTHSA-N 322.409 -0.099 30 20 DBED CC[C@@H](CNC(=O)[C@H]1CCNC(=O)C1)N=c1cc[nH]c(C#N)n1 1103041076 NFOSMNDAANEYMA-QWRGUYRKSA-N 316.365 -0.397 30 20 DBED C[C@H](CN=c1cc[nH]cc1C#N)CNC(=O)[C@H](C)S(C)(=O)=O 1104255493 AHYGSQGGVSRIDE-MNOVXSKESA-N 324.406 -0.028 30 20 DBED C[C@H](CNc1cncc(C#N)n1)N(C)C(=O)[C@@H]1CCNC1=O 1104765968 AFHORMAETAGXDX-MWLCHTKSSA-N 302.338 -0.257 30 20 DBED C#CCNCc1cn(C2CN(C(=O)C[C@@](C)(O)C3CC3)C2)nn1 1105215722 GECPDXGEHLDIKX-MRXNPFEDSA-N 317.393 -0.065 30 20 DBED CC#CCNCc1cn(C2CN(C(=O)CC(C)(C)O)C2)nn1 1105223642 BXTCFJVEGOLYPE-UHFFFAOYSA-N 305.382 -0.065 30 20 DBED C#CCNC(=O)CC(=O)N(C)CCN(C)c1cnc(C#N)cn1 1105369194 SEZHAIYCLQKVPC-UHFFFAOYSA-N 314.349 -0.618 30 20 DBED CC#CCNCc1cn(C2CN(C(=O)[C@H]3CCN(C)C3)C2)nn1 1105372714 UCHBLXVKURWGRK-ZDUSSCGKSA-N 316.409 -0.274 30 20 DBED Cc1cc(C#N)nc(NC[C@H](O)CNC(=O)c2ccnn2C)n1 1105740173 UYTBPPGVEUMGPT-LLVKDONJSA-N 315.337 -0.407 30 20 DBED N#Cc1nccnc1NC[C@@H](O)CNC(=O)C1=CCOCC1 1105802988 UWWUKDGPFXYEDG-LLVKDONJSA-N 303.322 -0.416 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)Cc2cncnc2)nc1 1105805858 LAUQJUDYLXTMMM-CYBMUJFWSA-N 312.333 -0.125 30 20 DBED C[C@@H](C(=O)NC[C@H](O)CNc1cnc(C#N)cn1)n1cncn1 1105828207 ARLGSCODMAQELK-GXSJLCMTSA-N 316.325 -0.910 30 20 DBED N#Cc1cnc(NC[C@H](O)CNC(=O)Cn2cncn2)c(F)c1 1105838770 CVNJBMAOZKRJQL-SNVBAGLBSA-N 319.300 -0.727 30 20 DBED N#Cc1nc(=NC[C@@H](O)CNC(=O)[C@@H]2CC23CCC3)cc[nH]1 1106130576 WPOMFZUIDMXTKF-MNOVXSKESA-N 301.350 -0.151 30 20 DBED CCN(CCNc1cncc(C#N)n1)C(=O)C1CS(=O)(=O)C1 1106849839 SNPNYGKVFYJDIN-UHFFFAOYSA-N 323.378 -0.347 30 20 DBED Cc1cc(C#N)nc(NC/C=C\CNC(=O)[C@H]2COC(=O)N2)n1 1107175216 IIHHQXANCSQWSX-OTDNITJGSA-N 316.321 -0.151 30 20 DBED CNC(=O)NCCC(=O)N[C@H](C)CN=c1cc[nH]cc1C#N 1107733868 WDUPXDNAAQPGKD-SNVBAGLBSA-N 304.354 -0.389 30 20 DBED C[C@H](CN=c1cc[nH]cc1C#N)NC(=O)C[C@@H]1CC(=O)NC1=O 1107825787 GZHMACSWADCBIT-NXEZZACHSA-N 315.333 -0.655 30 20 DBED CNC(=O)[C@H](C)N1CCO[C@](C)(CNC(=O)C#CC2CC2)C1 1107932313 JXCYMLSFMYWMJZ-BLLLJJGKSA-N 307.394 -0.259 30 20 DBED Cn1cc(C(=O)NC[C@]2(C)CN(CC#N)CCO2)ncc1=O 1108083379 CMAJCISQIGCQNH-CQSZACIVSA-N 305.338 -0.875 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)c2cnn(CCOC)c2)C1 1108371486 WMJHWYVCYUAGOO-INIZCTEOSA-N 320.393 -0.017 30 20 DBED C=C(C)CN1CC(N2C[C@@H](NC(=O)CNC(=O)OC)CC2=O)C1 1108511448 RQZMSDODKFPIFW-NSHDSACASA-N 324.381 -0.680 30 20 DBED C=CCCC(=O)N[C@H]1CC(=O)N(C2CN([C@H]3CCNC3=O)C2)C1 1108520427 UFZCRNOCKFODNP-AAEUAGOBSA-N 320.393 -0.758 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)CN(C)c1cc(F)ncn1 1108940642 GLHQZQMUPBIZSW-SNVBAGLBSA-N 307.329 -0.304 30 20 DBED CNC(=O)NCC(=O)NCC1(Nc2ccc(C#N)nn2)CC1 1110380589 AKCOBOVXYZOECE-UHFFFAOYSA-N 303.326 -0.662 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@]1(O)CCN(c2nccc(C)n2)C1 1111098382 RGKFSNASWBAWNS-CJNGLKHVSA-N 318.377 -0.119 30 20 DBED C=CCOCC(=O)N(C)[C@H]1CN(c2ncc(F)cn2)C[C@@H]1O 1111175631 MWIYXJTTXJKEOQ-RYUDHWBXSA-N 310.329 -0.174 30 20 DBED N#Cc1nc(=NCCN(CCO)C(=O)c2ncccn2)cc[nH]1 1111501140 LZQMITYTEXWGPN-UHFFFAOYSA-N 313.321 -0.893 30 20 DBED C#CCO[C@H](C)C(=O)N(CCO)CCN=c1cc[nH]c(C#N)n1 1111510982 SABIWWCYTLYVJO-GFCCVEGCSA-N 317.349 -0.959 30 20 DBED CN(CCCN(C)c1ncccc1C#N)C(=O)CNC(N)=O 1112034127 SZHYFNYOIVRGFN-UHFFFAOYSA-N 304.354 -0.094 30 20 DBED CNC(=O)NCCC(=O)N1C[C@@H](NCC#N)[C@H](C(F)(F)F)C1 1112096130 BGTRPRIMTHAKLG-RKDXNWHRSA-N 321.303 -0.192 30 20 DBED COCCOCC(=O)N1C[C@@H](C)[C@@H](N=c2cc[nH]c(C#N)n2)C1 1112308135 AKRIXRYMHWNEMA-NEPJUHHUSA-N 319.365 -0.308 30 20 DBED C[C@H]1CN(c2nccnc2C#N)CC[C@@H]1NC(=O)CC(N)=O 1112395138 GTANREGOOVELFG-UWVGGRQHSA-N 302.338 -0.445 30 20 DBED CCN(CCC#N)C(=O)CN1CCN(C(=O)c2nc[nH]n2)CC1 1113441522 DSVWEYBJHLKUFQ-UHFFFAOYSA-N 319.369 -0.675 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H](C)N(C)c1ccnc(C#N)n1 1113567126 KLKXVXLRAGIGJW-NSHDSACASA-N 314.349 -0.571 30 20 DBED CNC(=O)NCCC(=O)NC[C@@H](C)N(C)c1cnc(C#N)cn1 1113597116 MJPGIASPAHQYAW-SNVBAGLBSA-N 319.369 -0.392 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)c3cc(C)nn3C)[C@H]2C1 1113943411 XLQYBRUWNDQDSI-RYUDHWBXSA-N 317.393 -0.309 30 20 DBED CCn1nncc1C(=O)N[C@H]1[C@@H]2CN(CC#CCOC)C[C@@H]21 1114225932 CYUTWAMVGBRPBE-IMRBUKKESA-N 303.366 -0.392 30 20 DBED C#CCO[C@H](C)C(=O)NC1[C@H]2CN(Cc3nonc3C)C[C@H]12 1114271247 RPJKRHQEOPWCND-WOPDTQHZSA-N 304.350 -0.037 30 20 DBED Cc1nn(C)c(C)c1OCC(=O)NC1[C@H]2CN(CC#N)C[C@H]12 1114291400 XYYQGKMUYRZOQJ-RYUDHWBXSA-N 303.366 -0.014 30 20 DBED C=CC(C)(C)C(=O)N[C@H]1[C@@H]2CN(Cc3nc(=O)n(C)[nH]3)C[C@@H]21 1114671799 JXBBSJWGTDCIKV-IAZYJMLFSA-N 305.382 -0.133 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)[C@@H](C(C)C)N(C)C)[C@@H]2C1 1114794418 INEBREYXSGNORW-XJKCOSOUSA-N 320.437 -0.632 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)c3nc(C)c[nH]3)[C@H]2C1 1114948326 BDBFCSMEHMFQFT-WUHRBBMRSA-N 315.377 -0.484 30 20 DBED C=CCN1C[C@@H]2C(NC(=O)CCCN3C(=O)CNC3=O)[C@H]2C1 1115219016 OMLFVBNUZSRTBD-QWRGUYRKSA-N 306.366 -0.449 30 20 DBED C[C@H](CN(C)C(=O)[C@H]1COCCN1C)N=c1cc[nH]c(C#N)n1 1115682234 JPCAVXUGYKTYRU-VXGBXAGGSA-N 318.381 -0.640 30 20 DBED CC(C)[C@@H](CNC(=O)C(=O)NCCCC#N)N1CCN(C)CC1 1116991662 JJBWIZWTQMITCN-CQSZACIVSA-N 323.441 -0.205 30 20 DBED C#CCOCCNC(=O)C(=O)NCc1cccn(CC)c1=O 1117618582 BNFPLFYTWKOPCF-UHFFFAOYSA-N 305.334 -0.750 30 20 DBED CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)CCCC#N 1117691558 LDSZEHXNABIOLX-SNVBAGLBSA-N 301.368 -0.558 30 20 DBED CC1(c2ncc(C(=O)NCC(=O)NCC#N)s2)OCCO1 1118861617 MUYNACOJAIUWNX-UHFFFAOYSA-N 310.335 -0.268 30 20 DBED C#CCNC(=O)CC(=O)NC1CC2(C1)CC(N[C@H](C)C(N)=O)C2 1120981212 RWLCOTBPUVFALW-CUMPHSRVSA-N 320.393 -0.983 30 20 DBED Cc1cc(C(=O)NC[C@H](CO)N=c2cc[nH]cc2C#N)on1 1121063104 XXBBWRACCPKWGZ-LLVKDONJSA-N 301.306 -0.126 30 20 DBED CC[C@@H](OC)C(=O)NC[C@H](CO)N=c1cc(C)[nH]cc1C#N 1121182802 DYPSUXFTSCHJPQ-TZMCWYRMSA-N 306.366 -0.002 30 20 DBED Cc1cc(CC(=O)NC[C@@H](CO)N=c2cc[nH]cc2C#N)n[nH]1 1121287709 FWLKRQYKCFGIQB-ZDUSSCGKSA-N 314.349 -0.462 30 20 DBED N#Cc1ccc(C(=O)NC[C@@H](CO)Nc2nccnc2C#N)[nH]1 1121317312 KDYADQPOVOYCLU-JTQLQIEISA-N 311.305 -0.249 30 20 DBED CN1CC[C@H](C(=O)NC[C@@H](CO)Nc2nccnc2C#N)C1 1121592111 YMYIYQQZGXMNCL-QWRGUYRKSA-N 304.354 -0.811 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)Cc2cncs2)nn1 1122154619 ZLYODTHKMDINKS-JTQLQIEISA-N 318.362 -0.064 30 20 DBED CCC(=O)NCC(=O)N1CC[C@H](N=c2cc[nH]c(C#N)n2)[C@H]1C 1123004788 UWWKQRCQVCPANP-MNOVXSKESA-N 316.365 -0.302 30 20 DBED N#CCSCC(=O)NCCNCC(=O)NC[C@@H]1CCOC1 1123799331 PZBQLKFUBABTPX-NSHDSACASA-N 314.411 -0.898 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)[C@H]1COCCO1 1123890887 FRJIVCRCFQORCX-CYBMUJFWSA-N 311.382 -0.692 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)[C@@H](C)n2cccn2)C1=O 1123918126 LESLYQIQCPURPP-CHWSQXEVSA-N 305.382 -0.063 30 20 DBED CN(C[C@H](O)CNc1ccc(C#N)nn1)C(=O)c1cnnn1C 1124271761 OWVGWWUUPYLWEZ-SNVBAGLBSA-N 316.325 -0.978 30 20 DBED CN(C[C@H](O)CNc1cncc(C#N)n1)C(=O)[C@]1(F)CCOC1 1124665105 HNDGLWCFOJUMKM-RISCZKNCSA-N 323.328 -0.292 30 20 DBED COCCN(CCNC(=O)c1cnn[nH]1)c1ccc(C#N)cn1 1126561582 KQXPVPUJWLKWRS-UHFFFAOYSA-N 315.337 -0.046 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1ccnn1CC(F)F 1127298627 DBHSLHOUKMKOEF-UHFFFAOYSA-N 313.308 -0.783 30 20 DBED N#CCNCc1ccncc1O[C@H]1CCN(C(=O)C(N)=O)C1 1127893641 YHSGJJCVXCBAGG-NSHDSACASA-N 303.322 -0.840 30 20 DBED C#CCNC(=O)CNCCNC(=O)C[C@H]1Cc2ccccc2O1 1128037281 DVEBQFPTGBZEES-CQSZACIVSA-N 315.373 -0.165 30 20 DBED N#Cc1ccc(CNCCNC(=O)C2CS(=O)(=O)C2)cc1 1128108815 VMTIQXWYHLYBPJ-UHFFFAOYSA-N 307.375 -0.191 30 20 DBED COCC#CCNCCNC(=O)c1cccc(OCC(N)=O)c1 1128701933 RJLBZXWOOASMDV-UHFFFAOYSA-N 319.361 -0.480 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H](OC)C2CC2)C1 1128944958 MCEVRFLSVLGKQV-RDBSUJKOSA-N 303.366 -0.322 30 20 DBED C=CCO[C@@H](C)C(=O)N1C[C@H](n2ccnn2)[C@H](NCCCO)C1 1130151277 MAVUJUQUQNHGMK-MJBXVCDLSA-N 323.397 -0.407 30 20 DBED C=CCCN1CC[C@@]2(C1)CN(C(=O)CNC(N)=O)C[C@H](C)O2 1131632264 MDDYMBRILCHEGC-SWLSCSKDSA-N 310.398 -0.077 30 20 DBED C#CCCCC(=O)N1CCC[C@@H](N2CCN(CCO)CC2=O)C1 1131716205 DMCWKEZGPCXAGN-OAHLLOKOSA-N 321.421 -0.083 30 20 DBED C=CCOCCNC[C@@H]1CN(C(=O)CNC(N)=O)CC[C@H]1C 1132634518 ZMZWOXYKUSSWCD-CHWSQXEVSA-N 312.414 -0.069 30 20 DBED C=CCNC(=O)CNCCNC(=O)Cc1c(C)cc(C)nc1O 1132767654 NJRBEWOZXMVJKO-UHFFFAOYSA-N 320.393 -0.045 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)C[C@H](C)NCC(=O)NCCC 1134130129 CNVARLODDJVKDK-STQMWFEESA-N 324.425 -0.475 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)C(=O)N1CCC[C@H](C)C1 1134878165 RVYHUWDXVVNVBD-STQMWFEESA-N 324.425 -0.359 30 20 DBED C=CCn1cc(C(=O)NCCN[C@H](C)C(=O)NCC(C)C)nn1 1134973076 CGLFMQHMSRIACU-GFCCVEGCSA-N 322.413 -0.056 30 20 DBED C=CCOCCNCCNC(=O)c1cn2nc(C)cc2[nH]c1=O 1135298561 VDCQPLHZVOBSEV-UHFFFAOYSA-N 319.365 -0.147 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)c1n[nH]cc1F 1135408059 REJCTQHJNJYKBE-VHSXEESVSA-N 309.345 -0.215 30 20 DBED C#CCO[C@H](C)C(=O)N1CC2(CCN([C@H]3CCCNC3=O)C2)C1 1147530762 QQMSEJKMFDTDJR-KGLIPLIRSA-N 319.405 -0.162 30 20 DBED C#CCCN1CCCO[C@@H](CNC(=O)CC(=O)NCC#C)C1 1149598506 AXFCWDDGKHULAZ-AWEZNQCLSA-N 305.378 -0.644 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@H]1CN(CC(=O)NC)CCCO1 1149623931 PIEBETLFBRAGNL-SWLSCSKDSA-N 313.398 -0.733 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)CCN2CCOCC2)C1 1150452243 CHQAQFRKBFEGRX-OAHLLOKOSA-N 309.410 -0.451 30 20 DBED C[C@@H](Oc1ccc(F)cc1)C(=O)NCCNCC(=O)NCC#N 1150459931 RWTQIXHBMDNZCY-LLVKDONJSA-N 322.340 -0.061 30 20 DBED C=CCCOCC(=O)NCCNCC(=O)NC1CCOCC1 1153081867 ZWTISBBQMHHFAI-UHFFFAOYSA-N 313.398 -0.420 30 20 DBED CCN(CC#CCOC)[C@H](C)CNC(=O)[C@]1(C)CNC(=O)C1 1154448641 WAFKJDVPKQZYPK-CJNGLKHVSA-N 309.410 -0.011 30 20 DBED C#CCCN(CC)[C@H](C)CNC(=O)[C@@H]1CCS(=O)(=O)N1 1156961464 SLTANWIZFLFCPP-NEPJUHHUSA-N 301.412 -0.472 30 20 DBED C#CCCNCCCNC(=O)c1nc(C)n(-c2nc[nH]n2)n1 1163623349 WNJVLJFDMUAUQP-UHFFFAOYSA-N 302.342 -0.573 30 20 DBED C=C(C)CCNCCCNC(=O)c1c[nH]nc1S(N)(=O)=O 1166333526 WUKVXDAVGCVDAR-UHFFFAOYSA-N 315.399 -0.267 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1cnn2c1CCCC2 1170275717 VBYIPYBWVJTCOF-UHFFFAOYSA-N 317.393 -0.322 30 20 DBED Cc1nn(CC(=O)N[C@H](C)CCCCNCC#N)c(=O)n1C 1176392751 MEJZJCXKGYGMDU-LLVKDONJSA-N 308.386 -0.322 30 20 DBED C[C@H]1CC[C@H](C)N1CC(=O)NCCCNCC(=O)NCC#N 1176844656 NEWOJFRFNJMRCY-STQMWFEESA-N 309.414 -0.405 30 20 DBED C=CCN1CCO[C@@H]2CCN(C(=O)CCS(C)(=O)=O)C[C@@H]21 1177042610 QRNKGDRKCDCSPI-QWHCGFSZSA-N 316.423 -0.091 30 20 DBED N#CCNC[C@@H]1C[C@H]2CC[C@H]1N(C(=O)c1nnc(O)nc1O)C2 1177829912 NBVNIQLXQNXGQM-KXUCPTDWSA-N 318.337 -0.363 30 20 DBED C[C@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)[C@@H]1CCCN1C 1178355813 DAMQXOKILOKOPO-AVGNSLFASA-N 307.398 -0.701 30 20 DBED C=CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)c2[nH]nnc2C)[C@H]1C 1179285148 LHYJEZAJQZUKNA-SRVKXCTJSA-N 320.397 -0.004 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC[C@@H](NCCN2C(=O)CNC2=O)C1 1182205046 ZPUYJYONSTYPMF-IAQYHMDHSA-N 324.381 -0.944 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CCCCN2C)C1 1183647442 HWBHFMUTPRPMGN-KGLIPLIRSA-N 306.410 -0.589 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3cccnc3)[C@@H]2C1 1186669008 UFEDWAYOVFJKRD-LSDHHAIUSA-N 312.373 -0.023 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)c2c(C)nn(C)c2F)C1 1187475653 REGMNBVPYAZJIE-LLVKDONJSA-N 323.372 -0.026 30 20 DBED CN(CC(=O)NCC#N)[C@H]1CCN(C(=O)c2cccnc2)C1 1188641941 MATFAUNBMOXXEB-ZDUSSCGKSA-N 301.350 -0.132 30 20 DBED N#CCNC(=O)CN1C[C@@H]2CCN(C(=O)[C@H]3CC34CC4)[C@@H]2C1 1189230104 ICQKPVIYSFAOOX-YNEHKIRRSA-N 302.378 -0.041 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(C)C2)C1 1190445730 ZWRZWBZZRPQEED-QWHCGFSZSA-N 322.409 -0.700 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@H]1CCN(C(=O)c2cnn[nH]2)C1 1191120509 VLCIYCGBPLHOOQ-QWRGUYRKSA-N 304.354 -0.911 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)/C=C/c2ccc[nH]2)C1 1192485158 WLCXXPZBJMGVRW-WLBISTCBSA-N 303.362 -0.161 30 20 DBED CC[C@H](C)NC(=O)CN1C[C@@H](O)[C@H](NC(=O)C#CC2CC2)C1 1192770934 UUVIZQKWDIPXHR-IACUBPJLSA-N 307.394 -0.524 30 20 DBED CC#CCN(C)[C@H]1CCN(C(=O)[C@@H](CCC(N)=O)NC(C)=O)C1 1192876823 IXGRXNIEDXJIRY-UONOGXRCSA-N 322.409 -0.687 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)C(F)(F)F)C1 1195388071 ARZPYZNQWIVOBP-OPRDCNLKSA-N 321.299 -0.905 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCN(C)C2)C1 1197792603 NSFFJEPUWDEIFJ-RBSFLKMASA-N 311.426 -0.308 30 20 DBED COCC#CCN1CCCN(C(=O)COCCN(C)C)CC1 1197817530 KYZKPDOIDZSORP-UHFFFAOYSA-N 311.426 -0.251 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CCN(C(=O)[C@H](C)NC(C)=O)CC1 1199226314 YJOJWKVLUZZZDQ-NEPJUHHUSA-N 322.409 -0.771 30 20 DBED Cc1cnn(CC(=O)N2CCC(NCC(=O)NCC#N)CC2)c1 1199546364 YSMGGSYZUGVOMS-UHFFFAOYSA-N 318.381 -0.588 30 20 DBED C=C(C)CCNC[C@@H]1CN(C(=O)Cn2cnnn2)CCCO1 1199787673 PHZSIPGJMYWMGM-CYBMUJFWSA-N 308.386 -0.154 30 20 DBED COCC#CCNC1CCN(C(=O)CCc2nc[nH]n2)CC1 1199994355 SBOSQTVQNFDVEX-UHFFFAOYSA-N 305.382 -0.032 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)[C@@H](C)n2cncn2)CC1 1200111124 MCBAWTPAKJZGTR-GFCCVEGCSA-N 318.381 -0.831 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC(NCC(=O)NCC#N)CC1 1200495517 SFEFKYIYBYVWMF-GFCCVEGCSA-N 306.366 -0.755 30 20 DBED C#CCNC1CCN(C(=O)[C@@H](C)NS(=O)(=O)CC)CC1 1200686449 QRYHSTIZVRPCDX-LLVKDONJSA-N 301.412 -0.472 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCC(N[C@@H](C)C(=O)NC)CC1 1201094093 MZAUOISNOULOTI-ZFWWWQNUSA-N 320.437 -0.201 30 20 DBED C=CCOCCNC1CCN(C(=O)CCn2cnnn2)CC1 1203046745 ASMGPWAFBGGVGS-UHFFFAOYSA-N 308.386 -0.154 30 20 DBED C#CCCNCC1CCN(C(=O)CN2CCC(=O)NC2=O)CC1 1206795039 ZPZLFVQDMYJVMB-UHFFFAOYSA-N 320.393 -0.220 30 20 DBED COCC#CCN1C[C@@H](NC(=O)[C@H]2COCCN2C)[C@H](C)C1 1206881193 TULONTKXUBBRAJ-RBSFLKMASA-N 309.410 -0.597 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2n[nH]cc2C)[C@H](C)C1 1206937167 OVGWGKHRPZDCCT-VXGBXAGGSA-N 303.366 -0.482 30 20 DBED COCC#CCN1C[C@@H](NC(=O)[C@@H](C)n2cccn2)[C@H](OC)C1 1211891929 UZZIKCKHENJDRQ-RBSFLKMASA-N 320.393 -0.091 30 20 DBED C=CCCCC(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1OC 1213350491 VNTYXXOQQKCMKC-CHWSQXEVSA-N 308.382 -0.202 30 20 DBED COCC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cc[nH]n1 1217316602 YUYSVXZCAKPDBE-UONOGXRCSA-N 304.350 -0.415 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)c2ccc(O)nn2)C1 1219136417 YZEYQSZEOXXMEW-NEPJUHHUSA-N 308.338 -0.840 30 20 DBED Cc1nnc(CN2C[C@H](O)[C@H](NC(=O)C#CC3CC3)C2)s1 1219590016 SNSQWBUNODSQCO-NEPJUHHUSA-N 306.391 -0.079 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H]2CCN(CCCOC)C[C@H]21 1221491799 ZUIZWTGXPROULO-ZIAGYGMSSA-N 307.394 -0.305 30 20 DBED C=C(C)CN1CCC(CNC(=O)Cn2cnc(C(N)=O)n2)CC1 1223260567 YGSJHYKVGWEWKN-UHFFFAOYSA-N 320.397 -0.219 30 20 DBED C=CCNC(=O)NC(=O)CN1CCC(NC(=O)C(F)F)CC1 1225730241 ZPRMJHVVZGQLPH-UHFFFAOYSA-N 318.324 -0.156 30 20 DBED CC(C)C#CC(=O)NC1CCN(Cc2nc(=O)n(C)[nH]2)CC1 1227233661 YVCQTOBHDGVETA-UHFFFAOYSA-N 305.382 -0.152 30 20 DBED N#CCNC(=O)CN1CC[C@@H](NC(=O)c2n[nH]c3c2CCC3)C1 1269142702 KMKQTTSWNVXRLX-SNVBAGLBSA-N 316.365 -0.658 30 20 DBED N#CCOc1ccc(NC(=O)C(=O)N2CC[C@H](C(N)=O)C2)cc1 1318291902 BHVFZWUJZWUHDG-JTQLQIEISA-N 316.317 -0.139 30 20 DBED CCN1C(=O)[C@H]2CN(C(=O)C3(C#N)CCOCC3)CCN2C1=O 1319069392 ZVSOBDZRRJLEAY-LLVKDONJSA-N 320.349 -0.198 30 20 DBED C[C@@H]1CCN(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)[C@H]1CO 1320606023 KCZYSFCSLFAUAV-CLJHHIHDSA-N 322.365 -0.075 30 20 DBED C[C@]1(CCCC(=O)OCC(=O)NCCC#N)NC(=O)NC1=O 1321752870 USFCWYMLDSCZHB-CYBMUJFWSA-N 310.310 -0.672 30 20 DBED Cc1noc(CCCNC(=O)C(=O)N2CCO[C@H](C#N)C2)n1 1323107034 HNVONMIHCGAYRH-SNVBAGLBSA-N 307.310 -0.822 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](C(F)(F)F)C2)CCO1 1325775278 HWQKNKGDXUWFDR-BDAKNGLRSA-N 321.255 -0.473 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)CCO1 1328386036 VNYMGEBMTPCMFG-KBPBESRZSA-N 320.393 -0.176 30 20 DBED CC(C)C(=O)NCCCNC(=O)C(=O)N1CC[C@](O)(CC#N)C1 1329365646 PSOOKBBWTPBMQI-OAHLLOKOSA-N 324.381 -0.858 30 20 DBED C#CCN1CCC[C@H](NC(=O)NCCCS(=O)(=O)NC)C1 1330890128 IENFALHUNYYENJ-LBPRGKRZSA-N 316.427 -0.678 30 20 DBED C=CCCn1cc(C(=O)N2CCC(O)(C(=O)OC)CC2)nn1 1331972293 QPYQDFUEYXBYFO-UHFFFAOYSA-N 308.338 -0.006 30 20 DBED CC1(C)CN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)CCCO1 1332376941 NDHDKNYXOWRHHH-HNNXBMFYSA-N 309.366 -0.109 30 20 DBED C#CCO[C@H](C)C(=O)NS(=O)(=O)c1cnc(Cl)n1C 1334277213 PBHZSUSVZIKNLW-SSDOTTSWSA-N 305.743 -0.083 30 20 DBED C#Cc1ccc(NC(=O)C(=O)N2CCS(=O)(=O)CC2)cc1 1337924346 ZGGKWWOLMVYWEF-UHFFFAOYSA-N 306.343 -0.137 30 20 DBED C=CCN(C(=O)C(=O)N(C)Cc1nncn1C)[C@H](C)COC 1350278053 DXVBTIQUVYDORZ-LLVKDONJSA-N 309.370 -0.177 30 20 DBED CN(C[C@H]1CCC[C@H]1O)C(=O)CCn1cc(C#N)c(O)nc1=O 1362597317 KBGFOLMLBXCPRY-ZYHUDNBSSA-N 320.349 -0.170 30 20 DBED N#Cc1cn(CCNC(=O)C2CCC(O)CC2)c(=O)nc1O 1362686977 FQPILMLACOAGQK-UHFFFAOYSA-N 306.322 -0.512 30 20 DBED N#CCCn1ccc(NC(=O)NC[C@H](O)Cn2ccnn2)n1 1365767350 FERUKTSXFOVJBV-JTQLQIEISA-N 304.314 -0.429 30 20 DBED CCNC(=O)CN1CCC2(CC1)CN(C(=O)[C@H](C)C#N)CCO2 1368750801 AJWBWRRMNDMWHW-CYBMUJFWSA-N 322.409 -0.024 30 20 DBED C[C@@H](CC(N)=O)C(=O)N(C)[C@@H](C)CNC(=O)c1cc(C#N)c[nH]1 1380676186 XDNNFADAKUXZNG-UWVGGRQHSA-N 319.365 -0.025 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1cc2n(n1)CCCC2 1392135137 UZBWJGLWUBZEBZ-ZYHUDNBSSA-N 319.365 -0.414 30 20 DBED C[C@@H](CN(C)C(=O)[C@@H]1CCC(=O)N1)NC(=O)c1cc(C#N)c[nH]1 1412641940 BZWOERCUKLOSJL-ONGXEEELSA-N 317.349 -0.258 30 20 DBED C[C@H](CCC#N)N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 1412961584 PSPKEMHTPLJZDB-JHJVBQTASA-N 301.412 -0.546 30 20 DBED CCN(C(=O)[C@H](C)C#N)[C@H](C)CNC(=O)CS(C)(=O)=O 1426325543 KKIIGBJZPSSGNX-NXEZZACHSA-N 303.384 -0.456 30 20 DBED C[C@@H](CNC(=O)Cn1cncn1)N(C)C(=O)c1cc(C#N)c[nH]1 1426829419 FRWSFNGNRXNXTD-JTQLQIEISA-N 315.337 -0.245 30 20 DBED CCC1(CNC(=O)NCCn2cc(C#N)c(O)nc2=O)COC1 1427560694 PUZFSGFLOHNSJJ-UHFFFAOYSA-N 321.337 -0.454 30 20 DBED CCN(CCNC(=O)c1cc(C(N)=O)ccn1)C(=O)[C@@H](C)C#N 1429629074 XLPQYGHMOHCJIM-JTQLQIEISA-N 317.349 -0.082 30 20 DBED CN(CC(C)(C)C#N)S(=O)(=O)c1cn(C)c(=O)nc1O 1434576031 PXZNKQZMOVZLMB-UHFFFAOYSA-N 300.340 -0.344 30 20 DBED C=C(Cl)CNC[C@H](C)N(C)C(=O)Cn1cnc(C(N)=O)n1 1438644232 QHYNOSRVJKOTNZ-VIFPVBQESA-N 314.777 -0.434 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@@H]1CCN(C(=O)CN2CCCNC2=O)C1 1446648408 ZOIGEMKMWFXIOD-VXGBXAGGSA-N 321.381 -0.379 30 20 DBED CC(=O)NCC(=O)N1CC([C@@H](C)NC(=O)c2cc(C#N)c[nH]2)C1 1450315447 BGBNDCXLSDJNAB-SECBINFHSA-N 317.349 -0.401 30 20 DBED CC(=O)NCC(=O)NCC(=O)N1CCc2c(C#N)cccc21 1451861337 NTVDWIKHDKBAQG-UHFFFAOYSA-N 300.318 -0.300 30 20 DBED N#Cc1cn(CCC(=O)NCCC2(O)CCC2)c(=O)nc1O 1467916378 ZYCCRCKNBGIZOW-UHFFFAOYSA-N 306.322 -0.368 30 20 DBED C[C@@H](C#N)C(=O)NCC1CN(C(=O)c2cnc(N(C)C)cn2)C1 1498678664 SUJAONVHHRLKQQ-JTQLQIEISA-N 316.365 -0.110 30 20 DBED C=C(Cl)CNCC1(O)CCN(C(=O)Cn2ncnn2)CC1 1502870578 PXLRKWBNDFIVDR-UHFFFAOYSA-N 314.777 -0.631 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@](C)(NC(=O)CS(C)(=O)=O)C1 1506414048 PGZVSGZUYIURMJ-BXKDBHETSA-N 301.368 -0.702 30 20 DBED CCCN(CC(=O)O)C(=O)CCn1cc(C#N)c(O)nc1=O 1573752713 OKPYMXKJCXPHGU-UHFFFAOYSA-N 308.294 -0.466 30 20 DBED C#CCN(C)c1nnc([C@@H]2CCCN2)n1C[C@]1(O)CCOC1 1574614711 HSKRCSJGXATWMD-SWLSCSKDSA-N 305.382 -0.077 30 20 DBED C#CCNCC(=O)N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1574729310 GYGCHIOADHIQRE-MRXNPFEDSA-N 314.389 -0.420 30 20 DBED C#C[C@@H]1CCCCN1C(=O)NCCn1cnc(-c2nn[nH]n2)n1 1588332607 NSUIFMNCEWGIBD-SNVBAGLBSA-N 315.341 -0.345 30 20 DBED CC#CC[C@H](CO)NC(=O)Nc1nn(C)cc1-c1nn[nH]n1 1588737271 CQDFXWLCRMZNEK-MRVPVSSYSA-N 304.314 -0.504 30 20 DBED CC#CCN(C)C(=O)CCn1cc(-c2nn[nH]n2)c(O)nc1=O 1588746170 MNQLQTBHTYXIPP-UHFFFAOYSA-N 317.309 -0.999 30 20 DBED N#CC1(C(=O)O)CCN(C(=O)C(=O)N2C[C@@H]3CC[C@H](C2)O3)CC1 1601049255 PEMLMPFJJSDIOO-PHIMTYICSA-N 321.333 -0.407 30 20 DBED N#CCC(=O)N1CCN(C(=O)c2ccc(C(=O)O)nc2)CC1 1601060372 FCHLISNJJXNIJF-UHFFFAOYSA-N 302.290 -0.022 30 20 DBED N#CCNC(=O)CNS(=O)(=O)c1cc(C(=O)O)c(Cl)o1 1601074785 QOLBPPSYNAJURG-UHFFFAOYSA-N 321.698 -0.451 30 20 DBED C=CCNC(=O)CNS(=O)(=O)c1ccc(-c2nn[nH]n2)o1 1602862826 LIRZMWHTVXVUGO-UHFFFAOYSA-N 312.311 -0.960 30 20 DBED C=CCCOCCn1nnnc1N1C[C@H](C)O[C@H](C(=O)O)C1 1602881181 VHXSHHILOKLMQU-QWRGUYRKSA-N 311.342 -0.056 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1CCc2[nH]nc(C(=O)O)c2C1 1602902090 OBGUYBLWUVNWPV-QMMMGPOBSA-N 321.337 -0.134 30 20 DBED Cc1cc(C#N)cnc1C(=O)N1CCN(C(=O)C(=O)O)CC1 1605102026 LTDLIEWTKUMLKU-UHFFFAOYSA-N 302.290 -0.369 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)CS(=O)(=O)CC)C1 1665512742 PDDPKTOEYVFUJJ-LBPRGKRZSA-N 304.412 -0.186 30 20 DBED C[C@@]1(C(=O)N[C@H]2CCN(CC(=O)NCC#N)C2)CCCOC1 1698548612 VYVHBXPNGJLZHW-SWLSCSKDSA-N 308.382 -0.367 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1C[C@H](NC(=O)c2cnc(C)cn2)C1 1752613594 QIXNJDNKZHYAJQ-AVGNSLFASA-N 315.377 -0.227 30 20 DBED C#CCNC(=O)[C@H](C)N(C)CCNC(=O)[C@@H]1CCO[C@H]1C1CC1 1753058222 WKCVLRPCJMUTDE-CFVMTHIKSA-N 321.421 -0.013 30 20 DBED CN1CC[C@@H](C(=O)NC[C@H]2CCN(CC(=O)NCC#N)C2)C1 1753139514 CQANYVRAGHOOQG-CHWSQXEVSA-N 307.398 -0.984 30 20 DBED Cc1n[nH]cc1C(=O)NCCN(CC(=O)NCC#N)C1CC1 1753157945 CSGNCDJGYISZFX-UHFFFAOYSA-N 304.354 -0.448 30 20 DBED COCC#CCN[C@H](CNC(=O)[C@@H]1CCCNC1=O)C(C)C 1753832955 XWSFEOOLSHSABE-ZIAGYGMSSA-N 309.410 -0.107 30 20 DBED CC#CCNC[C@@H](O)CNC(=O)c1c(C)c[nH]c1CC(N)=O 1753929227 XFFUVVUNWRBTNH-LLVKDONJSA-N 306.366 -0.945 30 20 DBED C=CCNC(=O)CN1CC[C@H]1CNC(=O)[C@@H](C)n1cncn1 1754481009 PTKWBSACOLNXEI-NEPJUHHUSA-N 306.370 -0.668 30 20 DBED C=CCOCCN1CC[C@](C)(NC(=O)c2nnc(O)nc2O)C1 1754677083 ZQJDZHVRWVDYFV-AWEZNQCLSA-N 323.353 -0.320 30 20 DBED C=C(C)CN1CCC[C@](CO)(NC(=O)C[C@@H]2NC(=O)NC2=O)C1 1754856674 OXQSPLOQDWZPOE-NHYWBVRUSA-N 324.381 -0.896 30 20 DBED C#CCN1CCC[C@](CO)(NC(=O)c2ccoc2CC(N)=O)C1 1754858420 ZWSVWLLBFSIMMO-INIZCTEOSA-N 319.361 -0.503 30 20 DBED N#CCNC[C@@H]1CN(C(=O)C2(NC(N)=O)CCCCC2)CCO1 1755010104 YXBYZGFTIGHQLW-GFCCVEGCSA-N 323.397 -0.302 30 20 DBED COCC#CCN1CC2(C[C@@H](NC(=O)c3ccn(C)n3)CO2)C1 1755065342 JITWGJYWKPNBKB-CYBMUJFWSA-N 318.377 -0.357 30 20 DBED CC(C)C#CC(=O)NC1(CO)CCN(CC(=O)N2CCC2)CC1 1755177374 NUPFQKBUONYEFR-UHFFFAOYSA-N 321.421 -0.179 30 20 DBED CC#CCN(C)C[C@@H]1CCCN1C(=O)CCNS(C)(=O)=O 1755194913 DXZRKFKAHGEMKA-ZDUSSCGKSA-N 315.439 -0.128 30 20 DBED CC#CCN1CCO[C@]2(CCN(C(=O)CNC(=O)OC)C2)C1 1755399909 UQFZCEBVMMEAHI-OAHLLOKOSA-N 309.366 -0.331 30 20 DBED C#CCNC(=O)CNCCC[C@H](C)NC(=O)c1c[nH]nc1C 1755508984 CNACVCZSVRGQGV-NSHDSACASA-N 305.382 -0.044 30 20 DBED C#CCNC(=O)CN[C@@H]1C[C@@H](C)N(C(=O)c2cnc(C)n2C)C1 1755680532 FVGPJFMMUZJKAL-DGCLKSJQSA-N 317.393 -0.329 30 20 DBED COCCN(CCNC(=O)C#CC1CC1)Cc1nnn(C)n1 1755838525 UBIPDDIIUSTBCQ-UHFFFAOYSA-N 306.370 -0.812 30 20 DBED CC(=O)NCC(=O)N[C@H](C)[C@H](C)NC(=O)CSCC#N 1755947749 PRDCGNIOURJGOW-BDAKNGLRSA-N 300.384 -0.611 30 20 DBED C#CCOCCC(=O)N1CC([C@H](C)NC(=O)[C@H]2CCN(C)C2)C1 1756143067 JBWGZANCVMYBMQ-KBPBESRZSA-N 321.421 -0.059 30 20 DBED C=C[C@](C)(O)CC(=O)N(C)C[C@H](O)CNC(=O)c1cccnc1 1756660263 DBYSBRCWDPJNOH-CJNGLKHVSA-N 321.377 -0.042 30 20 DBED C=C(C)C(C)(C)C(=O)N(C)C[C@H](O)CNC(=O)CC(=O)NC 1756672274 SJUVKZWNYDRWKO-LLVKDONJSA-N 313.398 -0.340 30 20 DBED C=C(C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCNC2=O)C1 1757007230 DVVYGTWPJYWYDE-YNEHKIRRSA-N 323.393 -0.443 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(C(=O)c2[nH]cnc2C)C[C@@H]1O 1757173750 HULJQZFZDGCGLH-UTUOFQBUSA-N 320.349 -0.942 30 20 DBED CS(=O)(=O)CCCS(=O)(=O)N[C@@H](CCC#N)C(=O)O 1777396026 GNAGXQGTORFSDL-QMMMGPOBSA-N 312.369 -0.903 30 20 DBED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(=O)N(C)C)C2 1781694030 FNKOGLPARLWWDN-MLGOLLRUSA-N 321.377 -0.778 30 20 DBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC1CC1 1795345390 XQCFRVHXQUDBAE-DRXBFXEBSA-N 320.345 -0.536 30 20 DBED N#CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H]1CNC(=O)C1)C2 1795463150 HBLRVIDYDLAQLB-WISYIIOYSA-N 304.350 -0.326 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)CC(C)=O 1800939253 PFIAVBLYCBANAY-IKVITTDRSA-N 306.362 -0.176 30 20 DBED C=CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC(=O)NC)C2 1800996561 KZQPQMYIDPQUIB-QHBPRCKVSA-N 309.366 -0.712 30 20 DBED C#CCCC(=O)N1CC2(CCCN2C(=O)[C@H]2CCC(=O)N2)C1 1842798795 NNPOZRDZGRJZSR-GFCCVEGCSA-N 303.362 -0.118 30 20 DBED C=CCNC(=S)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 8150308 PMJMHIXURAOCOJ-NSHDSACASA-N 303.453 -0.148 30 20 DBED CNC(=O)CCN(C)CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 179690741 LBDQZAAWYWWPRO-AWEZNQCLSA-N 323.441 -0.253 30 20 DBED C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cc2)C[C@H](C(N)=O)O1 268388762 WTQABKGEJOOKEZ-BXKDBHETSA-N 309.347 -0.178 30 20 DBED NC(=O)[C@H]1CC(C(=O)NCC#CCO)=NN1c1ccccc1 282862522 HPGFBTBREDKCJU-CYBMUJFWSA-N 300.318 -0.782 30 20 DBED COC(=O)[C@]1(C)CN(C(=O)NCCn2cnc(C#N)n2)C[C@H]1C 287086557 WUSOOEWWBISJKE-QMTHXVAHSA-N 320.353 -0.010 30 20 DBED CCOC(=O)N1CCN(C(=O)NCCn2cnc(C#N)n2)CC1 287824904 KGKWUOUIVBESBM-UHFFFAOYSA-N 321.341 -0.367 30 20 DBED C#CCOc1cccc(NC(=O)C(=O)N2CCOC[C@@H](O)C2)c1 296297151 IJHRYVNTZNKNER-ZDUSSCGKSA-N 318.329 -0.143 30 20 DBED COCCNC(=O)CN1CCN(c2cccc(C#N)n2)CC1 301282941 PFDCUPVIEKKTFC-UHFFFAOYSA-N 303.366 -0.162 30 20 DBED C=CCN(CC(=O)OCC)CC(=O)N1CCN(C(C)=O)CC1 318849809 AFJUOFCDIZAYMA-UHFFFAOYSA-N 311.382 -0.272 30 20 DBED CS(=O)(=O)N1CCN(/C(O)=N/[C@H]2CCN(C3CC3)C2)CC1 329332307 ZVRDJROUUVZQLQ-NSHDSACASA-N 316.427 -0.286 30 20 DBED CC(C)C/N=C(/O)NC(=O)CN1CC[C@H]2[C@@H](C1)N=C(O)N2C 330558181 QQMNKXXFCKILJE-MNOVXSKESA-N 311.386 -0.025 30 20 DBED C=C(C)CN(C)CC(=O)N/C(O)=N/[C@@H]1CCS(=O)(=O)C1 330725526 DXLGDAIURXWWGR-SNVBAGLBSA-N 303.384 -0.288 30 20 DBED C[C@@H]1CN(CC(C)(C)O)CCN1/C(O)=N/CCn1cncn1 331230821 QHHYSAMRGMQEIO-GFCCVEGCSA-N 310.402 -0.031 30 20 DBED CC(C)C(=O)NCCN(C)S(=O)(=O)N1CCO[C@@H](C#N)C1 336889990 MJRCPIPPUIWXQW-NSHDSACASA-N 318.399 -0.840 30 20 DBED C=CCCOCCNC(=O)Cn1cc(S(N)(=O)=O)cn1 339856205 DPYQZOZQHWXDKO-UHFFFAOYSA-N 302.356 -0.761 30 20 DBED CCCNC(=O)[C@@H]1CCCN(C(=O)NCC(=O)NCC#N)C1 358315781 QXKBQYCXCGXJAT-LLVKDONJSA-N 309.370 -0.426 30 20 DBED CC(C)n1cc(C#N)c(NC(=O)C(=O)N[C@@H](C)[C@@H](C)CO)n1 359390975 PKEQKROJIIRZST-UWVGGRQHSA-N 307.354 0.407 30 20 DBED C=CCCCC(=O)N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 370065221 AWWPEXDIUFPOEX-STQMWFEESA-N 316.423 -0.043 30 20 DBED C=CCN1CC[C@@H](N2CCC(O)(CN3CCOCC3)CC2)C1=O 375621422 SMVMRABUUCRHRI-OAHLLOKOSA-N 323.437 -0.068 30 20 DBED CNS(=O)(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 375705804 QBWXRYZKPMQHRC-LBPRGKRZSA-N 308.363 -0.287 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCC[C@@H](C(N)=O)C1 407954337 NSJFBDBITWIDAM-WDEREUQCSA-N 302.400 -0.090 30 20 DBED C=CCCn1cc(C(=O)N(C)CC(=O)N2CCNCC2)nn1 424063449 XHASWNJKOZAWMS-UHFFFAOYSA-N 306.370 -0.642 30 20 DBED C#CCN1CCC(C(=O)OCCNS(=O)(=O)CC)CC1 490854309 ZSQUXRJUTNWHLJ-UHFFFAOYSA-N 302.396 -0.186 30 20 DBED C[C@H](C#N)CNC(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 525710812 AQOCVYSUKUMJKE-NPNZPCOPSA-N 305.334 -0.185 30 20 DBED COCC1=CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)CC1 554519269 BUENUUFQRQMRRS-GFCCVEGCSA-N 301.368 -0.266 30 20 DBED Cc1nn(C)c(N2CCN([C@H]3CC(=O)NC3=O)CC2)c1C#N 567363662 OFQOMOOOYCHADC-NSHDSACASA-N 302.338 -0.863 30 20 DBED CC(=O)N1CC[C@H](NCCS(=O)(=O)c2ccc(C#N)cn2)C1 569921556 XWFJHALMTQSCPT-ZDUSSCGKSA-N 322.390 -0.063 30 20 DBED N#CCC1(CS(=O)(=O)NC[C@H](CC(=O)O)C(=O)O)CC1 574329234 CJPZVAZPODWAPG-QMMMGPOBSA-N 304.324 -0.225 30 20 DBED N#CCNC(=O)CNC(=O)[C@H]1CCCN1Cc1ccccn1 588078057 MGYSTXPQSHEEGU-CYBMUJFWSA-N 301.350 -0.198 30 20 DBED CN(C)S(=O)(=O)NCCNc1nc(C#N)c(Cl)s1 596231975 NTWDYRCBQMLLBY-UHFFFAOYSA-N 309.804 0.476 30 20 DBED CC(C)(CC#N)CNC(=O)C(=O)N1CCN([C@H]2CCOC2)CC1 597340952 APCCZPMNQWDKOG-ZDUSSCGKSA-N 322.409 -0.024 30 20 DBED C=C[C@](C)(O)C(=O)N1CCC(C(=O)NCC(=O)OCC)CC1 597413707 IPZVALMLQHYQEU-HNNXBMFYSA-N 312.366 -0.159 30 20 DBED COC(=O)[C@@H]1C[C@H](O)CN1C[C@@H](O)COc1ccccc1C#N 599386230 KGZVGPMGPUOOEL-MJBXVCDLSA-N 320.345 -0.094 30 20 DBED Cn1c(=O)c2cc(C(=O)NCCCCC#N)n(C)c2n(C)c1=O 609143627 HHVFHBJEVVUDGN-UHFFFAOYSA-N 317.349 -0.001 30 20 DBED Cn1c(N[C@@H]2CCN(CC3CC3)C2)c(C#N)c(=O)n(C)c1=O 609384278 COVHMWRJXSUQRP-LLVKDONJSA-N 303.366 -0.148 30 20 DBED CCN(C[C@@H](C)C#N)C(=O)CN1C(=O)N[C@@]2(CCOC2)C1=O 611115386 HVILLVRPTLXNRY-IINYFYTJSA-N 308.338 -0.295 30 20 DBED COC(=O)C[C@H]1CCCCN1c1c(C#N)c(=O)n(C)c(=O)n1C 611190196 HIDLQBORYTYOMZ-SNVBAGLBSA-N 320.349 -0.122 30 20 DBED CN(C)S(=O)(=O)N1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 611471847 DXHDNEFJHNBGLC-UHFFFAOYSA-N 311.367 -0.549 30 20 DBED C=CCOCCNC(=O)CNS(=O)(=O)c1ccccc1N 613362245 CNXVPAXVBRVQLD-UHFFFAOYSA-N 313.379 -0.134 30 20 DBED C=CCCn1cc(C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2OC)nn1 617868043 BJRWOLCZFKSHME-MNOVXSKESA-N 314.367 -0.604 30 20 DBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@H]1COCCN1 627290668 XILPDXJSEIRLNN-AVGNSLFASA-N 311.382 -0.812 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccc(C(N)=O)o1 747179746 CWRCBLWDDOPCFV-SSDOTTSWSA-N 309.278 -0.064 30 20 DBED C#CCCCC(=O)OCCN(C)S(=O)(=O)N1CCOCC1 759489521 ZXTUKKMCQZUHPH-UHFFFAOYSA-N 318.395 -0.158 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)Cn1c(C)cc(O)cc1=O 759902594 GWEQQARSDPAECV-UHFFFAOYSA-N 323.305 -0.583 30 20 DBED CNCCCc1n[nH]c(NC(=O)C2=NN(C)C(=O)CC2)c1C#N 760309895 VYWUGVAKQZVWJL-UHFFFAOYSA-N 317.353 -0.020 30 20 DBED C#C[C@@H](C)NC(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 773596648 FMUVLLQIOSRCOL-NEPJUHHUSA-N 317.411 -0.204 30 20 DBED C#C[C@H](C)NC(=O)NC1CCN(CCS(C)(=O)=O)CC1 773598935 QIYMABLEHPCRPI-NSHDSACASA-N 301.412 -0.184 30 20 DBED C#C[C@H](NC(=O)[C@H](NS(C)(=O)=O)C(C)C)[C@H]1CCCO1 775325485 CHFKOUQUUPMJJR-QJPTWQEYSA-N 302.396 -0.143 30 20 DBED COC[C@@H](C#N)OC(=O)CN1C(=O)c2ccccc2S1(=O)=O 785045784 JUBHZGOYAONGBJ-SECBINFHSA-N 324.314 -0.087 30 20 DBED C[C@]1(C(N)=O)CCN(c2cccc(S(N)(=O)=O)c2C#N)C1 795289549 JUPDZSCTNXGNKK-ZDUSSCGKSA-N 308.363 -0.093 30 20 DBED C#CCONC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 812782819 KKVQDLKRCCGFLT-UHFFFAOYSA-N 307.331 -0.204 30 20 DBED CCN(CCC#N)S(=O)(=O)NCCCc1cnn(C)n1 815053464 RUJSYPDPARWBOX-UHFFFAOYSA-N 300.388 -0.182 30 20 DBED C#CCOCCC(=O)N1[C@H]2CC[C@H]1[C@H](C(=O)OC)[C@H]2C(=O)O 833364197 LFCUNRCXEXLACR-UKJIMTQDSA-N 309.318 -0.111 30 20 DBED CN(C)c1c(C=NN[C@@H]2CCOC2(C)C)c(=O)n(C)c(=O)n1C 835017296 UBMZOYMEHNOPNI-LLVKDONJSA-N 323.397 -0.359 30 20 DBED C=C(C)CONC(=O)N1CCN(C(=O)Cn2cnnn2)CC1 844285302 CDWMHAZBTYVHHH-UHFFFAOYSA-N 309.330 -0.965 30 20 DBED C#CC[C@H](CO)NC(=O)CNS(=O)(=O)c1c(C)noc1C 857262123 BIGVEASYXJEHCN-SNVBAGLBSA-N 315.351 -0.930 30 20 DBED C#CCO[C@H](C)C(=O)N1CCCN(C(=O)CNC(C)=O)CC1 862961060 OOFWQOZUBQIEJC-GFCCVEGCSA-N 309.366 -0.778 30 20 DBED C#CCn1cc(CNC(=O)Cn2ccc(C(=O)OC)n2)cn1 879791930 DTNABUXYHGNQHS-UHFFFAOYSA-N 301.306 -0.184 30 20 DBED C=CC[C@H]1CCCN(C(=O)C(=O)NCCN2CCNC2=O)C1 898693614 VXHKZDBDFLNPKJ-LBPRGKRZSA-N 308.382 -0.058 30 20 DBED N#CCOc1ccccc1C(=O)OCC(=O)N1CCNC(=O)C1 920413768 HXLKKTPRNLUCMY-UHFFFAOYSA-N 317.301 -0.296 30 20 DBED CC(C)[C@H](C#N)N1CCN(C(=O)[C@@H]2CSCC(=O)N2)CC1 931384510 FPPFBWWGCLXZOO-RYUDHWBXSA-N 310.423 -0.090 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@H](CNC(=O)c2ccnnc2)C1 944802867 MTACBVXKZMDEQN-CMPLNLGQSA-N 303.322 -0.407 30 20 DBED C#CCN1CCC[C@H](N(C)C(=O)CN2CCNC(=O)C2)CC1 948669275 DREFPACSVWWBND-AWEZNQCLSA-N 306.410 -0.636 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]1CNC(=O)c1ccn(C)c(=O)c1 950953037 UPJWELPKALGSBW-JQWIXIFHSA-N 302.334 -0.124 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cc3c(cn2)OCCO3)C1 958147756 BFGJCNOBQZCTEW-WCQYABFASA-N 317.345 -0.492 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2cc(OC)nc(OC)c2)C1 958219629 LHQDDIANYWRJMN-OLZOCXBDSA-N 319.361 -0.246 30 20 DBED CC#CCN1C[C@@H](O)[C@H](CNC(=O)c2nccn3ccnc23)C1 958419159 YOWGFEFIDIHAIP-CHWSQXEVSA-N 313.361 -0.225 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2CN(CCCO)C[C@@H]2O)nc1 958602292 DULYMFQIDRKSTO-ZFWWWQNUSA-N 303.362 -0.532 30 20 DBED C#CCN1C[C@@H]2C(NC(=O)c3ccc(-n4cnnn4)cc3)[C@H]2C1 962482274 ZQTWATWQDWLQIG-KBPBESRZSA-N 308.345 -0.045 30 20 DBED C=CCN1CC[C@H](C)[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 966169453 UWKPPXNFHSQNDZ-WDEREUQCSA-N 306.370 -0.610 30 20 DBED C#CCN1CC[C@@H](C)[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C1 966528807 UHDCPFFASXUUJD-CHWSQXEVSA-N 318.377 -0.993 30 20 DBED C#CCN1CC[C@@H](C)[C@@H](NC(=O)CN2CCN(C)C(=O)C2)C1 967027389 AVHNKQIZJSYZEX-KGLIPLIRSA-N 306.410 -0.780 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)c3cc(=O)n(C)o3)[C@H]2C1 976423542 UWAGEKJMKXJHET-APOZVJGGSA-N 304.306 -0.675 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@@H](NC(=O)c2nc[nH]n2)[C@H](O)C1 991668237 VGNFFQLXLRGVOI-NXEZZACHSA-N 307.354 -0.292 30 20 DBED C=CCn1cc(C(=O)NC2CN(C(=O)c3cnco3)C2)nn1 991685005 AYWJDKDTSRFTMV-UHFFFAOYSA-N 302.294 -0.294 30 20 DBED C#CCN[C@@H]1CCC[C@@H]2CN(C(=O)C3CC(=O)NC(=O)C3)C[C@@H]21 992836643 SRRJGTGZIVKZGG-KWCYVHTRSA-N 317.389 -0.111 30 20 DBED C#CCNC1CC(N(C)C(=O)CN2C(=O)CC(C)(C)C2=O)C1 998768483 BPVDJLZRMKPDLI-UHFFFAOYSA-N 305.378 -0.016 30 20 DBED N#CCN1CC=C(CNC(=O)c2cnn3c(=O)cc[nH]c23)CC1 1001240799 FPEZMEHCXOYVCV-UHFFFAOYSA-N 312.333 -0.092 30 20 DBED CS(=O)(=O)CC(=O)N1C[C@H]2CC[C@H]1CN2C(=O)C#CC1CC1 1007168345 OUMOWBNMQZBIOK-OLZOCXBDSA-N 324.402 -0.354 30 20 DBED C=CCCn1cc(C(=O)N[C@@H]2CCCN([C@H](C)C(N)=O)C2)nn1 1008812623 AKIVCAUKQPNNRD-VXGBXAGGSA-N 320.397 -0.078 30 20 DBED C=CCN1CC[C@@H](N2CC[C@H](NC(=O)Cn3cccn3)C2)C1=O 1010210761 FAFPJERNQJZBLO-UONOGXRCSA-N 317.393 -0.140 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCCN(C(=O)[C@H]3CCC(=O)N3)C2)C1 1010826684 NISWWVHYLWYJOS-VXGBXAGGSA-N 318.377 -0.124 30 20 DBED C#Cc1ccc(C(=O)N2CCN(C(=O)Cn3nccn3)CC2)cn1 1011187027 DTIYRPFYFUQGKB-UHFFFAOYSA-N 324.344 -0.361 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C(=O)c2ccoc2CC(N)=O)CC1 1012257859 OIFCZXXSYGKWJI-SNVBAGLBSA-N 318.333 -0.249 30 20 DBED C#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CCc2nnnn2CC1 1017974666 CCAYRQFBVYVHRX-MELADBBJSA-N 314.393 -0.066 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCN(C(=O)C[C@@H]3CCC(=O)N3)C2)C1 1019363485 VMLGQBQUFOLENU-NEPJUHHUSA-N 318.377 -0.124 30 20 DBED CCn1ncc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2O)c1C 1025277152 WOFOKQRFRVZFNY-ZWKOPEQDSA-N 319.365 -0.327 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)C[C@@H]1CCNC1=O 1026597084 VIIPHXAYKNTTBX-KWCYVHTRSA-N 317.389 -0.111 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](CNCc2nnnn2C)C1 1027074787 GHFNADCKJJAIQM-UPJWGTAASA-N 320.397 -0.261 30 20 DBED C#CCCN1CC[C@H](CNC(=O)[C@H]2CN(C(C)=O)CCO2)C1 1028963372 MVCBAGINZNHNPV-HUUCEWRRSA-N 307.394 -0.305 30 20 DBED C#CCCN1CC[C@@H](N(C)C(=O)CN2C(=O)NC(=O)C2(C)C)C1 1033555621 RANXAJKPYIEDAT-GFCCVEGCSA-N 320.393 -0.127 30 20 DBED CC#CCN1CCO[C@@H](CNC(=O)[C@@H]2CN(C(C)C)CCO2)C1 1035483102 LSHKFSVPNVDPBV-HOTGVXAUSA-N 323.437 -0.064 30 20 DBED C#CCN1CC[C@H]2CN(C(=O)CN3CC(=O)N(C)C3=O)CC[C@@H]21 1036868686 QXXLLQIVZHNTHI-STQMWFEESA-N 318.377 -0.564 30 20 DBED C#CCCN1CC[C@H]1CNC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 1038255787 OVEIJQHHNAGUAA-OLZOCXBDSA-N 315.377 -0.024 30 20 DBED C#CCCN1CC[C@H]1CNC(=O)c1ccc(-n2cnnn2)cn1 1038554146 HMIFQGUVLJPSNG-LBPRGKRZSA-N 311.349 -0.115 30 20 DBED Cn1nnc(C(=O)N2CCC([C@H]3CCN(CC#N)C3)CC2)n1 1039147007 BMSYUEGNMYGYQM-LBPRGKRZSA-N 303.370 -0.092 30 20 DBED C#CCCCC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2CCC(=O)N2)C1 1039573986 MKPVWKYLPUATIK-LRDDRELGSA-N 321.377 -0.852 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@]1(O)CCN(C(=O)c2cn[nH]c2)C1 1039576268 ONWLUPKRYRGDMB-CABCVRRESA-N 322.365 -0.570 30 20 DBED O=C(C#CC1CC1)NC[C@@]1(O)CCN(C(=O)c2cnsn2)C1 1039677178 FFXTUCQIVMSSCD-AWEZNQCLSA-N 320.374 -0.355 30 20 DBED O=C(C#CC1CC1)NC[C@]1(O)CCN(C(=O)c2ccon2)C1 1039678404 VFJONVKPAYMPGF-OAHLLOKOSA-N 303.318 -0.219 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)Cc2ccn(C)n2)C1 1039696674 DRMUKSOKLGYIGR-NHYWBVRUSA-N 319.365 -0.798 30 20 DBED C[C@H]1CN(C(=O)C(N)=O)CC[C@H]1CNc1nccnc1C#N 1040440801 FXYFGSIADGWJAB-UWVGGRQHSA-N 302.338 -0.270 30 20 DBED Cn1nncc1C(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@H]1O 1041006267 TWEZLPWXAHGXFX-ZYHUDNBSSA-N 313.321 -0.939 30 20 DBED N#Cc1ccc(NC[C@H]2CN(C(=O)CC(N)=O)CCCO2)cn1 1041488639 WKENFMQQULRZIG-ZDUSSCGKSA-N 317.349 -0.142 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)COCC2CC2)C1 1041646056 ONLVDDOEUOSUPA-UHFFFAOYSA-N 308.378 -0.238 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)c2oncc2C)C1 1042047313 MXKJPFNZGBFSRP-UHFFFAOYSA-N 309.322 -0.511 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(O)(CNC(=O)/C=C/C2CC2)C1 1042311362 AFDNGAPWTRPZNW-LQYUOIDQSA-N 308.378 -0.031 30 20 DBED C#CCN1CC[C@@H]2CCN(C(=O)c3cn(C)c(=O)nc3O)C[C@H]21 1042355405 YDVGSHRWTNDZML-DGCLKSJQSA-N 316.361 -0.345 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(O)(CNC(=O)c2cc[nH]c2C)C1 1042424920 LDMPOZRQQVBJOM-HNNXBMFYSA-N 321.377 -0.047 30 20 DBED C=CCN1CC[C@@H](N2CC(N(C)C(=O)c3cnnn3C)C2)C1=O 1042678239 HRWLZWHXUQSOSG-GFCCVEGCSA-N 318.381 -0.642 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(O)CN(C(=O)Cc2ccoc2)C1 1042806808 KFHLFJDOVYXBBF-OAHLLOKOSA-N 322.361 -0.161 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(O)CN(C(=O)Cc2ccco2)C1 1042807394 RSBGYCCZBOBTHT-OAHLLOKOSA-N 322.361 -0.161 30 20 DBED Cc1cc(C(=O)N2CC(O)(CNC(=O)C#CC(C)C)C2)n[nH]1 1042936118 AHSOEYVYMNTRCJ-UHFFFAOYSA-N 304.350 -0.319 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)C2=CCOCC2)C1 1042936996 WISXHMUJJFRRNI-UHFFFAOYSA-N 306.362 -0.318 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]3C=C[C@H]2O3)C1 1042940960 HOGISNQFMOFRGC-MGPQQGTHSA-N 318.373 -0.321 30 20 DBED C=CCCOCC(=O)NCC1(O)CN(C(=O)Cn2ccnc2)C1 1043571253 MRMZZEJHXRSNQT-UHFFFAOYSA-N 322.365 -0.835 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)[C@H](C)OCC=C)C1 1043574592 GMDIUTZFDGELBS-QWHCGFSZSA-N 324.377 -0.695 30 20 DBED C=C1CC(C)(C(=O)N2CC(O)(CNC(=O)CCCC(N)=O)C2)C1 1043706613 AZMQSZCYPJUKKK-UHFFFAOYSA-N 323.393 -0.312 30 20 DBED N#Cc1cncc(N2C[C@H](O)[C@H](NC(=O)CN3CCCC3)C2)n1 1043971428 HRQAVBVAMDNRMW-OLZOCXBDSA-N 316.365 -0.890 30 20 DBED C=CCCCC(=O)NCC1(O)CN(C(=O)[C@H]2COC(=O)N2)C1 1045450977 HQTPOZPOGCMOJN-SNVBAGLBSA-N 311.338 -0.859 30 20 DBED C=CCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CC[C@H]2C(N)=O)C1 1045462826 QOJGETQOBPZCJO-VXGBXAGGSA-N 323.393 -0.456 30 20 DBED C=CCN1CC[C@@H](N2CCN(C(=O)[C@@H]3CC(=O)N(C)C3)CC2)C1 1046033763 KGXDJEFXQOUXNV-HUUCEWRRSA-N 320.437 -0.131 30 20 DBED N#CCN1CC[C@H](N2CCN(C(=O)[C@]3(F)CCOC3)CC2)C1 1046055816 HWCDBXHJNMBZJL-ZFWWWQNUSA-N 310.373 -0.143 30 20 DBED C[C@H](C(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1)[C@@H]1CCCO1 1046249416 FIGVEOLLOVZUTM-JSGCOSHPSA-N 320.389 -0.096 30 20 DBED C=C1CC(C)(C(=O)NCC2(O)CN(C(=O)Cn3nccn3)C2)C1 1046307295 RKROPNSHSKCSDU-UHFFFAOYSA-N 319.365 -0.676 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)[C@H]2C[C@@]23CCOC3)C1 1046574731 BPGZBDSCWDZVPO-IUODEOHRSA-N 324.377 -0.695 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCc3c[nH]nc32)C1 1047381878 TUQFCWUGFWEJPK-RDBSUJKOSA-N 302.378 -0.034 30 20 DBED CCO[C@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C#CC2CC2)C1 1048821581 SKEMLQLQJZIHRX-XBFCOCLRSA-N 308.378 -0.145 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCCC(N)=O)C1 1049035048 PAACGMNGADLYBO-RYUDHWBXSA-N 311.382 -0.362 30 20 DBED Cc1cn2ccnc(C(=O)NC[C@H]3COCCN3CC#N)c2n1 1051196981 JQDYHTOLUPOJTR-LBPRGKRZSA-N 314.349 -0.008 30 20 DBED C#CCCN1CCOC[C@H]1CNC(=O)[C@@H]1CCC(=O)N(C)C1 1051256890 BVFGSWHJDIBFJE-ZIAGYGMSSA-N 307.394 -0.305 30 20 DBED Cn1cncc1CC(=O)N1CC[C@H](N2CCN(CC#N)CC2)C1 1052107904 HSQCFIHMTQTHMU-AWEZNQCLSA-N 316.409 -0.295 30 20 DBED C#CCN1CC2(C1)CN(C(=O)[C@H]1CCn3ccnc3C1)CCO2 1053315009 ZHPZUOGUEOTYKT-AWEZNQCLSA-N 314.389 -0.008 30 20 DBED C#CCN1CC2(CC[C@@H](CNC(=O)[C@H]3CCNC(=O)CC3)O2)C1 1053638879 YUQVIHLVDXUAAD-KGLIPLIRSA-N 319.405 -0.115 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)c3ccc(=O)n(C)c3)CO2)C1 1053861832 WUTAIYOYQPQTLS-AWEZNQCLSA-N 315.373 -0.018 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CO2)C1 1053877505 BFMMYQHADAHXES-IIEFLBBWSA-N 303.362 -0.107 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)c3ccc(C(N)=O)cc3)CO2)C1 1054005082 FJTDAXYYGDXCFL-ZDUSSCGKSA-N 314.345 -0.118 30 20 DBED Cn1nccc1C(=O)NC1[C@@H]2CN(c3cnc(C#N)cn3)C[C@@H]12 1056138023 FVSMLNAKJWEEHV-GHMZBOCLSA-N 309.333 -0.054 30 20 DBED Cn1ccc(CC(=O)NC2[C@H]3CN(c4ccnc(C#N)n4)C[C@H]23)n1 1056201160 AHGBJOZNRXFWDM-RYUDHWBXSA-N 323.360 -0.125 30 20 DBED N#Cc1ccc(N2C[C@H]3C(NC(=O)[C@@H]4CCC(=O)N4)[C@@H]3C2)nn1 1056263705 QYUGUOISDMVVEY-MXWKQRLJSA-N 312.333 -0.822 30 20 DBED C#CCO[C@H](C)C(=O)NCCN(CCO)C(=O)c1ccccn1 1056794965 WAVKFFXGCYUXMD-CYBMUJFWSA-N 319.361 -0.329 30 20 DBED N#Cc1ccc(N2CCCN(C(=O)Cn3ncnn3)CC2)cn1 1057182685 WEQPJKFLZISPQO-UHFFFAOYSA-N 312.337 -0.321 30 20 DBED N#Cc1nccnc1N[C@H]1CCCN(C(=O)[C@H]2CNC(=O)N2)C1 1057749521 WMWGBDXAHNATIN-GXSJLCMTSA-N 315.337 -0.567 30 20 DBED C=C(C)CCC(=O)N(CCO)CCNC(=O)[C@@H](C)CC(N)=O 1057807775 QINDXLPSTWZOQS-LBPRGKRZSA-N 313.398 -0.209 30 20 DBED C=CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)c1cn(C)cn1 1057922100 XCBUUKQLWFIZMI-LBPRGKRZSA-N 324.381 -0.438 30 20 DBED N#Cc1cncc(N2CCC[C@H](NC(=O)Cn3cnnn3)C2)n1 1058118340 DQEQBSYHGJDXGX-JTQLQIEISA-N 313.325 -0.880 30 20 DBED N#Cc1ccc(N2CCC[C@@H](NC(=O)[C@H]3CCC(=O)N3)C2)nn1 1058127313 PDFRBLTUWHYUNZ-VXGBXAGGSA-N 314.349 -0.288 30 20 DBED Cc1cc(=O)c(C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N)c[nH]1 1058657054 PIMHRBSPVMEUFJ-JTQLQIEISA-N 320.349 -0.606 30 20 DBED COc1cccc(C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N)n1 1058691443 STVJULGIOGAHFF-NSHDSACASA-N 320.349 -0.199 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H]1COCCN1C(=O)CC(C)C 1061514652 DEIZGYFTCQZURV-ZDUSSCGKSA-N 323.393 -0.484 30 20 DBED N#CCSCC(=O)N1CCOC[C@@H]1CNC(=O)c1ncc[nH]1 1061557681 ATBBIPRQJBFITI-JTQLQIEISA-N 323.378 -0.376 30 20 DBED N#Cc1cncc(N2CC[C@H](CNC(=O)[C@H]3COC(=O)N3)C2)n1 1061593341 WZPLYQALQOXONJ-MWLCHTKSSA-N 316.321 -0.601 30 20 DBED C#CCC1(C(=O)NC[C@H]2COCCN2C(=O)CC(N)=O)CCC1 1061635904 ZCJYXOBJRZXHQX-LBPRGKRZSA-N 321.377 -0.601 30 20 DBED C=CCCC(=O)N1CCOC[C@@H]1CNC(=O)[C@H]1CCCNC1=O 1061659403 WIFVEDDNDMEATG-STQMWFEESA-N 323.393 -0.178 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2c1nccn2nnnc12 1061939254 VYGQAZPSHPEOJI-GARJFASQSA-N 312.337 -0.141 30 20 DBED C#CCOCCC(=O)NC1(CNC(=O)CNC(=O)CC)CCC1 1062714247 LQCYRUUOQLQQHM-UHFFFAOYSA-N 323.393 -0.292 30 20 DBED C[C@@H]1CN(C(=O)c2cnn[nH]2)CC[C@H]1N=c1cc[nH]c(C#N)n1 1063807211 BQHDYQJYYYIWND-NXEZZACHSA-N 312.337 -0.149 30 20 DBED C#CCCCC(=O)N1CCO[C@@H](CNC(=O)CNC(=O)NC)C1 1065099618 MEIKPHWHIRBLLL-LBPRGKRZSA-N 324.381 -0.938 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CN(C(=O)c2cncnc2O)CCO1 1065284496 MAZUTQICUDCKHQ-ZJUUUORDSA-N 319.321 -0.701 30 20 DBED Cn1nnc(C(=O)N[C@]2(C)CCN(c3nccnc3C#N)C2)n1 1065316541 FXXJOKFCCLFAAN-CYBMUJFWSA-N 313.325 -0.729 30 20 DBED C=CCOCC(=O)N[C@H]1CCCN(C(=O)CC(=O)NC)CC1 1065986108 ZPAHGSJDJAHRPF-LBPRGKRZSA-N 311.382 -0.178 30 20 DBED CN(CCCN(C)C(=O)c1cn(C)nn1)C(=O)CSCC#N 1066871498 IPAUKVAWCINGMB-UHFFFAOYSA-N 324.410 -0.008 30 20 DBED N#Cc1cnc(NCC2CC(NC(=O)Cn3cncn3)C2)cn1 1067848777 UORBNNBNVLMIPP-UHFFFAOYSA-N 312.337 -0.053 30 20 DBED CN(C(=O)[C@@H]1CCNC1=O)C1CC(Nc2cnc(C#N)cn2)C1 1069788089 SAOLFLFVXFATTK-QEWOUOOISA-N 314.349 -0.114 30 20 DBED C[C@@H](C(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1)n1cccn1 1069898238 DMIMSRPPQSGVOD-XQQFMLRXSA-N 314.353 -0.399 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CCCN(C(=O)CSCC#N)C1 1070452472 LRPZRPOVEXJPLA-SNVBAGLBSA-N 312.395 -0.514 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC[C@@H](NC(=O)c2[nH]nnc2C)C1 1070729641 UNASJSYYVWAVPA-NWDGAFQWSA-N 319.365 -0.128 30 20 DBED N#CCN1C[C@H]2C[C@@H]3CN(C(=O)C[C@@H]4COC(=O)C4)C[C@@]3(C1)O2 1070786603 JBOOLLKPPYUTSK-VPWBDBDCSA-N 319.361 -0.235 30 20 DBED Cc1nccc(C(=O)N2CCC(=O)NCCN(CC#N)CC2)n1 1071022150 XBUIUVRUDRGISQ-UHFFFAOYSA-N 316.365 -0.427 30 20 DBED CC#CCN1CC[C@]2(C1)CN(C(=O)Cn1cnnn1)C[C@H](C)O2 1071134474 SGSFPTHAGZIUJZ-ZFWWWQNUSA-N 318.381 -0.612 30 20 DBED C[C@H]1CN(C(=O)c2cn(C)c(O)n2)C[C@]2(CCN(CC#N)C2)O1 1071209411 JJBJRUMYMZDOSN-XHDPSFHLSA-N 319.365 -0.045 30 20 DBED C#CCCN1CC[C@]2(C1)CN(C(=O)Cn1cncn1)C[C@H](C)O2 1071237858 DPEWLDRJAHCRME-HOCLYGCPSA-N 317.393 -0.007 30 20 DBED C=CCCCC(=O)N[C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1C 1071554178 REXKADXYVLCXIF-VXGBXAGGSA-N 306.370 -0.008 30 20 DBED C=CCOCC(=O)N1C[C@H](C)[C@@H](NC(=O)c2cn(C)nn2)C1 1071808605 JJMDQEUNHBHAIV-QWRGUYRKSA-N 307.354 -0.406 30 20 DBED C[C@H]1CN(C(=O)c2cn(C)nn2)C[C@@H]1NC(=O)C#CC1CC1 1072013545 FWOVZPFKQLGHEL-JQWIXIFHSA-N 301.350 -0.195 30 20 DBED N#Cc1cc(C(=O)N2CC[C@@H]3OCCN(CCO)[C@@H]3C2)c[nH]1 1074212752 VGVBMNZQNWQCKN-KGLIPLIRSA-N 304.350 -0.206 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)c3ccn(C)c(=O)c3)C[C@@H]21 1074278896 BUFHBSKPGITXSN-LSDHHAIUSA-N 315.373 -0.066 30 20 DBED CC(C)C#CC(=O)NCC[C@H](C)NC(=O)[C@@H]1CN(C)CCO1 1076408536 OXRKPYRYVFQMHG-KBPBESRZSA-N 309.410 -0.013 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)Cc2cnccc2OC)C1 1077220317 JJMJSBHVLRHGPV-ZIAGYGMSSA-N 303.362 -0.183 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)c2cnc3c(c2)nnn3C)C1 1077400929 ZATHHIRJAUHJMZ-VXGBXAGGSA-N 302.338 -0.676 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)Cc2ccc(OC)cn2)C1 1077570063 SPQPGQAXRCUJSU-HUUCEWRRSA-N 303.362 -0.183 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(C[C@@H]3CCOC3)C[C@H]2O)cn1 1078033380 GUYAGUQQPNMVGD-APHBMKBZSA-N 315.373 -0.126 30 20 DBED N#CCSCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C#CC2CC2)C1 1081468723 NIBXJZYCTUUWDG-QWHCGFSZSA-N 321.402 -0.408 30 20 DBED Cn1ccc(C(=O)N2C[C@H](O)[C@H](CNC(=O)C#CC3CC3)C2)n1 1081473736 KESMAKIEFDQDMU-OCCSQVGLSA-N 316.361 -0.617 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@@H]1CCCN1C(=O)C1CC1 1082209625 XLCRUPHKDMSYCX-HZSPNIEDSA-N 320.393 -0.274 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cnc2[nH]nnc2c1 1083107262 WGNBFAGFNNQQDF-NWDGAFQWSA-N 313.321 -0.598 30 20 DBED CN(C[C@H]1CCN1CC#N)C(=O)c1ccc(-n2cnnn2)cn1 1085741117 JBFBXTPZJRDZME-GFCCVEGCSA-N 312.337 -0.273 30 20 DBED CC#CCN1CC[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)[C@H]1CC 1087744316 KYZOLLDNANXBSP-SDDRHHMPSA-N 306.366 -0.423 30 20 DBED C=CCCN1CC[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)[C@H]1C 1088606046 WTUACMZCAPGGRB-OLZOCXBDSA-N 320.393 -0.298 30 20 DBED C[C@@H]1CC[C@@H](NC(=O)CNC(N)=O)CN1c1ccnc(C#N)n1 1089109383 HTEQNYVEXRXLKR-NXEZZACHSA-N 317.353 -0.510 30 20 DBED N#Cc1c[nH]ccc1=NCC1(CCNC(=O)CC(N)=O)CC1 1089921826 DPRRIQJQGVJZAS-UHFFFAOYSA-N 301.350 -0.051 30 20 DBED C=C(Cl)CN1CC[C@@H](NC(=O)CN2CCCC2=O)[C@@H](O)C1 1090060500 LAPWOTNRMAZZMX-NEPJUHHUSA-N 315.801 -0.087 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2ccc(C(N)=O)[nH]2)[C@@H](O)C1 1090572371 FVZLBAMDYJFKTK-GWCFXTLKSA-N 304.350 -0.698 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2ccc(N(C)C)nn2)[C@@H](O)C1 1090734269 JXWKIBPNCBTCCH-OCCSQVGLSA-N 317.393 -0.269 30 20 DBED CC(C)(C(N)=O)C(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@@H]1O 1091157699 PDPHQUAYFIFUCJ-MNOVXSKESA-N 317.349 -0.870 30 20 DBED C[C@@H]1[C@@H](NC(=O)CCNC(N)=O)CCN1c1ccc(C#N)nn1 1091968923 IFIHATJREDKKGX-KOLCDFICSA-N 317.353 -0.510 30 20 DBED CCc1nc(C#N)cc(NCCNC(=O)CNC(=O)OC)n1 1093492864 XRCRMHBJXGOGBJ-UHFFFAOYSA-N 306.326 -0.205 30 20 DBED COc1cc(CCC(=O)NCCN=c2cc[nH]c(C#N)n2)on1 1093907449 VYGOFNSQAOJOQM-UHFFFAOYSA-N 316.321 -0.072 30 20 DBED Cn1nccc1COCC(=O)NCCNc1cnc(C#N)cn1 1093944745 CQYOQINBAFPMSZ-UHFFFAOYSA-N 315.337 -0.173 30 20 DBED CC#CCN1CC(N2C[C@H](NC(=O)c3ncc[nH]3)CC2=O)C1 1094734019 PXOBBTUDSURVMA-LLVKDONJSA-N 301.350 -0.552 30 20 DBED C[C@@H](CC(N)=O)C(=O)NC1CCN(c2cnc(C#N)cn2)CC1 1095438391 MTGLITNUXWPRKA-JTQLQIEISA-N 316.365 -0.055 30 20 DBED CN(CCCNC(=O)[C@]1(C)CCC(=O)N1)c1cncc(C#N)n1 1095731191 RRUNINGXBPPPOO-HNNXBMFYSA-N 316.365 -0.041 30 20 DBED C[C@@H](C#N)C(=O)NCCN1CCN(c2cnc(C#N)cn2)CC1 1096278192 NQBOMSZWGJXVQF-LBPRGKRZSA-N 313.365 -0.254 30 20 DBED COCC(=O)N[C@H](C)C(=O)NC[C@H](C)Nc1ccc(C#N)nn1 1098341860 HINSHFTXODAVIG-VHSXEESVSA-N 320.353 -0.584 30 20 DBED C#CCNCc1cn([C@@H]2CCN(C(=O)[C@@H]3CCOC3)C2)nn1 1098633969 NTOZIWJAKCJXAL-TZMCWYRMSA-N 303.366 -0.189 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)CCCC#CC)[C@H](O)C1 1099962748 SXXCBHJOOWNCFN-HUUCEWRRSA-N 319.405 -0.519 30 20 DBED C=CCCN1CC[C@H](NC(=O)C2(C(=O)N(C)C)CC2)[C@H](O)C1 1100071914 LVDKGUNOUWIRKD-QWHCGFSZSA-N 309.410 -0.018 30 20 DBED COCC#CCNC1CC(CNC(=O)c2nnn(C)c2C)C1 1100210610 FPICEKXBTAHXTP-UHFFFAOYSA-N 305.382 -0.129 30 20 DBED CN(CCNC(=O)C(=O)NCC(F)F)c1ccc(C#N)nn1 1100224007 YTSYRLRDPAIMPW-UHFFFAOYSA-N 312.280 -0.718 30 20 DBED N#CCNC(=O)CNC1CC(CNC(=O)Cc2ccoc2)C1 1100271864 SNQPBKQPZDBNSI-UHFFFAOYSA-N 304.350 -0.054 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CN(C(=O)c3cnon3)C[C@]2(C)C1 1101397799 IGBDVPITGGLHAZ-ABAIWWIYSA-N 317.349 -0.787 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)c2cnn(C)c2)C1 1101706217 QGXCLZMPKOEBBM-CHWSQXEVSA-N 317.393 -0.533 30 20 DBED CCC(=O)NCC(=O)N(C)[C@@H]1CCN(c2cnc(C#N)cn2)C1 1102702431 SGKANLVECCJUIK-GFCCVEGCSA-N 316.365 -0.088 30 20 DBED CCOCC(=O)NC[C@@H]1CN(c2ccnc(C#N)n2)CCO1 1104280306 HDEMLDVCHHTIRQ-LLVKDONJSA-N 305.338 -0.294 30 20 DBED CC#CCNCC[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)C[C@H]1C 1104987001 HCUVMPDZZYPFAY-CHWSQXEVSA-N 320.393 -0.364 30 20 DBED C=C(C)CCC(=O)N1CC(n2cc(CN[C@@H](C)C(N)=O)nn2)C1 1105252387 OJHBRLRTMRJCEU-NSHDSACASA-N 320.397 -0.019 30 20 DBED Cc1cc(C#N)nc(N(C)CCN(C)C(=O)CCNC(N)=O)n1 1105400818 NTNUDUJEAXFZSK-UHFFFAOYSA-N 319.369 -0.390 30 20 DBED N#Cc1nccnc1NC[C@@H]1CCC[C@@H]1NC(=O)CC(N)=O 1105652259 QNAYZMRBZWHWFH-UWVGGRQHSA-N 302.338 -0.080 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)c2cc[n+]([O-])cc2)cn1 1105715155 MRGULNFYRWHITR-CQSZACIVSA-N 313.317 -0.211 30 20 DBED Cn1nncc1C(=O)NC[C@@H](O)CNc1ncccc1C#N 1105833953 STBGCXIRXGOFLV-JTQLQIEISA-N 301.310 -0.715 30 20 DBED COCCOCCC(=O)NC[C@H](O)CNc1ccc(C#N)nc1 1105880593 FPACGSKVUYYDFY-CQSZACIVSA-N 322.365 -0.105 30 20 DBED CC[C@@H](NC(C)=O)C(=O)NC[C@@H](O)CNc1cncc(C#N)n1 1106123031 IOABMIPQWPCFSG-NWDGAFQWSA-N 320.353 -0.848 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H](O)CNC(=O)Cc1cnc[nH]1 1106130275 SJHDMIAZEVJUPZ-LBPRGKRZSA-N 300.322 -0.770 30 20 DBED C[C@@H](CCNc1nccnc1C#N)NC(=O)CN1CCOCC1 1106279179 AXJCJXGDMNROLA-LBPRGKRZSA-N 318.381 -0.013 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)c1c[nH]c(=O)cn1 1106926931 JSFZCHMOFPIQDN-UHFFFAOYSA-N 313.321 -0.572 30 20 DBED C=CCNC[C@@H]1CN(C(=O)CC[C@@H]2NC(=O)NC2=O)C[C@H]1C 1106962658 OLOZARJNKNAEBV-UTUOFQBUSA-N 308.382 -0.155 30 20 DBED N#Cc1cnc(NC/C=C\CNC(=O)[C@H]2CCC(=O)N2)cn1 1107115337 IHTODBNQMGNKCZ-RFMOXSJOSA-N 300.322 -0.289 30 20 DBED C#CCCCC(=O)NCc1cn(C2CN(CCCO)C2)nn1 1107164414 AYGGOGICJFHYBX-UHFFFAOYSA-N 305.382 -0.063 30 20 DBED N#Cc1cnc(NC/C=C/CNC(=O)[C@H]2CCC(=O)NC2)cn1 1107592682 KPCBSLZZXVPFHP-GXFZAYBSSA-N 314.349 -0.041 30 20 DBED CC#CCN1CCO[C@](C)(CNC(=O)[C@@H]2COCCN2CC)C1 1108039328 BHAUYGLVCHEJTO-DOTOQJQBSA-N 323.437 -0.063 30 20 DBED C#CCOCCC(=O)N[C@H]1CC(=O)N(C2CN(CC#C)C2)C1 1108546215 QXAPNQVGZAUMDV-ZDUSSCGKSA-N 303.362 -0.939 30 20 DBED CC(=O)N[C@@H](C)C(=O)N[C@@H](C)CN(C)c1ccc(C#N)nn1 1108818398 MXDSWQWLXSMXFM-UWVGGRQHSA-N 304.354 -0.186 30 20 DBED C[C@H](CN(C)c1cnc(C#N)cn1)NC(=O)CN1CCCC1=O 1108850381 ODXIQVSDXKALIT-LLVKDONJSA-N 316.365 -0.088 30 20 DBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C[C@H]1CCCO1 1108959629 BTVPHZYLMGVPNV-MQYQWHSLSA-N 320.393 -0.083 30 20 DBED C[C@@H](CN(C)c1cncc(C#N)n1)NC(=O)C[C@@H]1CCNC1=O 1109114879 PQFPKBWYBNNMGK-QWRGUYRKSA-N 316.365 -0.185 30 20 DBED C[C@@]1(NC(=O)Cn2cnnn2)CCN(c2cncc(C#N)n2)C1 1110710280 BPQHJJJEXCWDHQ-CYBMUJFWSA-N 313.325 -0.880 30 20 DBED CC(=O)N[C@@H](C)C(=O)N[C@@]1(C)CCN(c2cnc(C#N)cn2)C1 1110717185 QSAYOKQAGMCPRZ-BONVTDFDSA-N 316.365 -0.042 30 20 DBED CO[C@H](C)C(=O)NC[C@@]1(O)CCN(c2ccnc(C#N)n2)C1 1111025868 LLIKVTVFRVRCFP-YGRLFVJLSA-N 305.338 -0.559 30 20 DBED COC[C@@H](C)C(=O)NC[C@@]1(O)CCN(c2nccnc2C#N)C1 1111044118 SKDWBZHKNBHSPJ-ABAIWWIYSA-N 319.365 -0.312 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CC(=O)N(C)C 1111114302 QGRCVGGJFPXOSH-MCIONIFRSA-N 307.394 -0.164 30 20 DBED N#Cc1nc(=NCCN(CCO)C(=O)c2ccncn2)cc[nH]1 1111499950 HNOFVSYJWZOHOY-UHFFFAOYSA-N 313.321 -0.893 30 20 DBED C#CCNC[C@]12CCC[C@H]1CN(C(=O)[C@H](C)NC(=O)COC)C2 1112367125 YZYKYXIPLURPJP-ZQIUZPCESA-N 321.421 -0.011 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CCN(c2cnc(C#N)cn2)[C@@H](C)C1 1112470483 XFLKMTVMSDFIEF-WDEREUQCSA-N 316.365 -0.042 30 20 DBED C=CCCC(=O)N1CCN(CCN(C)S(C)(=O)=O)CC1 1112687612 JPOUPNPGFLFFCQ-UHFFFAOYSA-N 303.428 -0.012 30 20 DBED COCC(=O)NC[C@@H]1CN(c2cc(C)ncc2C#N)C[C@H]1O 1112692768 RMBKHEXCZGCXQR-TZMCWYRMSA-N 304.350 -0.179 30 20 DBED COCCCC(=O)NC[C@@H]1CN(c2nccnc2C#N)C[C@H]1O 1112705392 QSFCZZJYPTYTGK-DGCLKSJQSA-N 319.365 -0.312 30 20 DBED C#CCO[C@H](C)C(=O)N1CCN(Cc2nc(COC)no2)CC1 1112845011 QHKIZPPUBFZELT-GFCCVEGCSA-N 322.365 -0.102 30 20 DBED C=CCCCN1CCN(C(=O)CNC(=O)CNC(C)=O)CC1 1113030005 GKHLNWCZPSHIOJ-UHFFFAOYSA-N 310.398 -0.651 30 20 DBED Cc1nc[nH]c1CC(=O)N1CCN(CC(=O)NCC#N)CC1 1113582013 UGLAMHUSFJUJPF-UHFFFAOYSA-N 304.354 -0.955 30 20 DBED C[C@H](CNC(=O)CCNC(N)=O)N(C)c1cncc(C#N)n1 1113609912 YDOTWUCODPOTHR-SECBINFHSA-N 305.342 -0.652 30 20 DBED C=CCO[C@H](C)C(=O)N1CCN(C[C@H](O)Cn2cccn2)CC1 1113714574 HDJVMDJDWAXJQZ-CABCVRRESA-N 322.409 -0.021 30 20 DBED N#CCNC(=O)CN1C[C@H]2C(NC(=O)c3ccnc(F)c3)[C@@H]2C1 1113978978 BKKUYLFZOSYEQP-GHMZBOCLSA-N 317.324 -0.480 30 20 DBED N#CCNC(=O)CN1C[C@H]2C(NC(=O)CCc3cnc[nH]3)[C@@H]2C1 1114384402 JZPQLUOVCRNEEI-VXGBXAGGSA-N 316.365 -0.972 30 20 DBED N#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)Cc3ccccc3)[C@H]2C1 1114468138 BQPYIAYNNSNQTP-HALDLXJZSA-N 312.373 -0.085 30 20 DBED C=CCCOCC(=O)N[C@H]1[C@@H]2CN(Cc3nncn3C)C[C@@H]21 1115323942 HWCRNZBUXDAYNP-JYAVWHMHSA-N 305.382 -0.046 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)NCc1ccc(C)n(C)c1=O 1117544619 OZCRAXCTWMPYRQ-GFCCVEGCSA-N 307.350 -0.373 30 20 DBED CNC(=O)NCC(=O)N(C)C[C@H](C)Nc1nc(C)cc(C#N)n1 1120816525 FCHBKAHKKCVBDM-JTQLQIEISA-N 319.369 -0.156 30 20 DBED Cc1nn[nH]c1C(=O)NC[C@H](CO)Nc1ccc(C#N)cn1 1122386635 SGIDRAREQBVMSR-SNVBAGLBSA-N 301.310 -0.417 30 20 DBED CN1CC[C@H](C(=O)NC[C@H](CO)Nc2ncccc2C#N)C1=O 1122430500 OQGWGFLXNRSYJK-VXGBXAGGSA-N 317.349 -0.679 30 20 DBED N#Cc1c[nH]ccc1=N[C@H](CO)CNC(=O)C1(F)CCOCC1 1122748619 WFLGKHNXBMQUJF-LBPRGKRZSA-N 322.340 -0.217 30 20 DBED N#Cc1nccnc1N1CC[C@]2(NC(=O)CC(N)=O)CCC[C@@H]12 1123394403 OWMBDAVMUQCEMT-IAQYHMDHSA-N 314.349 -0.159 30 20 DBED COCCC(=O)N(C)C[C@H](O)CNc1nc(C)cc(C#N)n1 1124017809 RNKZIEVDEKFGNI-GFCCVEGCSA-N 307.354 -0.076 30 20 DBED CN(C[C@@H](O)CNc1cnc(C#N)cn1)C(=O)c1cnsn1 1124090602 KPGJBLPEAORGMT-VIFPVBQESA-N 319.350 -0.255 30 20 DBED C=CCOCC(=O)N(C)C[C@@H](O)CNc1nc[nH]c2ncnc1-2 1124196451 MCMIOZSMFKUIEP-JTQLQIEISA-N 320.353 -0.262 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)Cc1cnn(C)c1 1124608575 YECCWOKADDCJFW-UHFFFAOYSA-N 320.397 -0.569 30 20 DBED C#CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)CCCN(C)C)C1 1129204421 DXAOUATYAVHKBW-CABCVRRESA-N 318.425 -0.015 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CCn2ccnc2C1 1130484132 FULMYDXIULUSSJ-OLZOCXBDSA-N 319.409 -0.158 30 20 DBED C=CCOCCNCCNC(=O)Cn1nnc(-c2ccco2)n1 1130708794 ICPYQBIQSALXGT-UHFFFAOYSA-N 320.353 -0.159 30 20 DBED Cc1ncc2n1CC[C@H](C(=O)NCCNCC(=O)NCC#N)C2 1133869976 PELIPFOJFMRIGY-LBPRGKRZSA-N 318.381 -0.901 30 20 DBED CNC(=O)NC(=O)CN[C@H](C)C[C@@H](C)NC(=O)C#CC1CC1 1134319239 YJVJCXFDEYFTCP-GHMZBOCLSA-N 308.382 -0.272 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1ccc(C)nc1OC 1134881365 ZHRJQEVBQAAABJ-LBPRGKRZSA-N 318.377 -0.144 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)CCCn1ccnc1C 1135305417 VCFCNZUOAYZONX-CYBMUJFWSA-N 319.409 -0.185 30 20 DBED CC#CCN[C@H](C)C[C@@H](C)NC(=O)c1cn(C)c(=O)n(C)c1=O 1135596150 JZIFNMVXAIKERS-VXGBXAGGSA-N 320.393 -0.406 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)C(=O)N1CC[C@@H](C)C1 1147195708 QFHFWINYRFCANX-NEPJUHHUSA-N 310.398 -0.749 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)[C@H]1CO[C@H](C)C1)C2 1147812194 SBLJRAZXMXEQIU-ZIAGYGMSSA-N 319.405 -0.305 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)CN(C)C(=O)C(C)C)C1 1149804132 JYEUGRUEDMIUAQ-AWEZNQCLSA-N 309.410 -0.059 30 20 DBED C#CCNC(=O)CN1CCCO[C@H](CNC(=O)[C@H](F)CC)C1 1150093248 ZREVLPABIMFDMK-CHWSQXEVSA-N 313.373 -0.309 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)CCc1nc[nH]n1 1152627449 GUWWEDZZFFBSIJ-LLVKDONJSA-N 321.385 -0.796 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)c1cn(C)cn1 1152743313 QZNMYOWRIRARMN-LLVKDONJSA-N 306.370 -0.500 30 20 DBED C#CCO[C@@H](C)C(=O)NCCC1(CNCc2nnnn2C)CC1 1164519663 MZTQADNBYIPYQS-LBPRGKRZSA-N 320.397 -0.376 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)[C@@H](C)OCCOC 1167552876 SWPAQUZBICFURN-QWHCGFSZSA-N 315.414 -0.176 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)NCCCNCC#CCOC 1176967160 ZQLNDGKKNBLOKY-UHFFFAOYSA-N 324.425 -0.004 30 20 DBED CC1(C(=O)N2CC[C@H]3OCCN(CC(=O)NCC#N)[C@@H]3C2)CC1 1177012519 JTRUDWZJVHKKMJ-CHWSQXEVSA-N 320.393 -0.272 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@H](NCc2nc(=O)n(C)[nH]2)[C@@H]1C 1178678793 RTDXRNSFLAOYIM-TUAOUCFPSA-N 321.381 -0.774 30 20 DBED C=CCC[C@@H](C)N[C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 1182693591 XXZFZHKJGUHCSG-VXGBXAGGSA-N 320.397 -0.078 30 20 DBED C#CCNC(=O)CNC[C@H]1CCN(C(=O)c2cn[nH]c2)C[C@@H]1C 1183914062 UZZLFNPWXMXTPR-QWHCGFSZSA-N 317.393 -0.153 30 20 DBED C[C@@H]1CN(C(=O)CN2C(=O)CN(C)C2=O)CC[C@@H]1CNCC#N 1185641206 OQHGGPHIRDETGR-VXGBXAGGSA-N 321.381 -0.522 30 20 DBED C=CCNC[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C[C@@H]1C 1185643700 YXBWDXRSXFGURF-RYUDHWBXSA-N 308.382 -0.202 30 20 DBED CCc1nc[nH]c1C(=O)N1CC[C@@H](NCC(=O)NCC#N)C1 1187501344 XBYSERQAUVEPJY-SNVBAGLBSA-N 304.354 -0.584 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2cc(C)[nH]n2)C1 1189105238 PVPYIIKWFZOAGQ-GFCCVEGCSA-N 303.366 -0.386 30 20 DBED C=CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3cnon3)[C@@H]2C1 1189485440 XOMSUTAHWQFNJJ-CMPLNLGQSA-N 305.338 -0.482 30 20 DBED COCCC1(C(=O)N2CC[C@@H](N(C)CC(=O)NCC#N)C2)CC1 1190576625 VBRPDKVMQRVIGC-CYBMUJFWSA-N 322.409 -0.024 30 20 DBED CC(C)[C@H](NS(C)(=O)=O)C(=O)N1CC[C@@H](N(C)CC#N)C1 1192735799 NWEGVZZVHLUGPC-NEPJUHHUSA-N 316.427 -0.384 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2onc(C)c2C)C1 1193997378 LUDXFDRFBZPMLY-VXGBXAGGSA-N 322.365 -0.631 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)c2cnnc(O)c2)CC1 1196223226 NCORWEIUISXIMW-UHFFFAOYSA-N 319.365 -0.368 30 20 DBED COCCS(=O)(=O)CC(=O)N1CCCN(CC#N)CC1 1196317365 VDIVXHXJQVUXCU-UHFFFAOYSA-N 303.384 -0.895 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)c2ccn(C)n2)CC1 1198098333 VQOGFGQIXHYMHI-UHFFFAOYSA-N 305.382 -0.130 30 20 DBED C=CCNC(=O)CNC[C@H]1CN(C(=O)COCC)CCCO1 1199753078 KRICBWDUNQNZDV-ZDUSSCGKSA-N 313.398 -0.468 30 20 DBED C[C@@H](NC[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)CCCO1)C(N)=O 1200284667 YHBMVLPMXVNCBL-ZYHUDNBSSA-N 319.365 -0.419 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCCO[C@H](CNCCOC)C1 1200721739 OPMATGHXZMVMOX-CVEARBPZSA-N 323.437 -0.063 30 20 DBED CCN1CCOC[C@@H]1C(=O)N1CCC(NCC#CCOC)CC1 1201378966 SQNNMYSQOJVVJF-MRXNPFEDSA-N 323.437 -0.063 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@@H](NC(=O)COCC)C12CCC2 1202373080 YBHLQFPKJGJGIQ-QWHCGFSZSA-N 307.394 -0.211 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)c2cnns2)CC1 1204615101 XGAYNUJJRUZCHE-UHFFFAOYSA-N 321.406 -0.271 30 20 DBED COCC#CCN1C[C@@H](NC(=O)[C@@H]2COCCN2C)[C@H](C)C1 1206881192 TULONTKXUBBRAJ-KFWWJZLASA-N 309.410 -0.597 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2CN(C)CCO2)C1 1207737631 ISYHCEDFNISDJS-KBPBESRZSA-N 324.425 -0.800 30 20 DBED C#CCOCCC(=O)N1CCC[C@@H](N[C@@H]2CCN(C)C2=O)C1 1208029490 XKPJYXWSVZTVPG-ZIAGYGMSSA-N 307.394 -0.162 30 20 DBED CC#CCN1C[C@@H](NC(=O)[C@@H](CCC)S(N)(=O)=O)[C@H](C)C1 1208105426 MRPWVAGXPSIBLG-JHJVBQTASA-N 315.439 -0.097 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCCN(C(=O)Cc2cnoc2)C1 1209212266 AAHZZVWBYJMEIS-GXTWGEPZSA-N 318.377 -0.064 30 20 DBED CCn1cnc(C(=O)N2CCC[C@H](NCC(=O)NCC#N)C2)c1 1210690968 QMQXKVMTZUVWIT-LBPRGKRZSA-N 318.381 -0.263 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(Cc2nncn2C)C[C@H]1OC 1213958115 ZIXRQNQSGZDXJD-CHWSQXEVSA-N 323.397 -0.277 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@@H](NCC(=O)N2CCC2)[C@H](C)C1 1214602166 LAMKQCSOHUYANP-MGPQQGTHSA-N 307.394 -0.307 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2nonc2C)C[C@H]1C 1217032158 OIANAODLNMMAFY-YUSALJHKSA-N 319.365 -0.434 30 20 DBED Cc1ccccc1C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@@H]1O 1219113734 GPUAGWIEYCPMIL-KGLIPLIRSA-N 316.361 -0.590 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)Cc2ccon2)C1 1219403192 ULHSVISSEGRMNZ-UHTWSYAYSA-N 322.365 -0.931 30 20 DBED CCc1ncncc1C(=O)N[C@@H]1CN(CC#CCOC)C[C@@H]1O 1220983657 XACLZLXYTJQWQA-CABCVRRESA-N 318.377 -0.536 30 20 DBED CC[C@H](C(=O)N1C[C@H]2CCN(CC(=O)NCC#N)C[C@H]21)N(C)C 1221641551 VKCWIVDICSZYCP-MGPQQGTHSA-N 321.425 -0.501 30 20 DBED CNC(=O)NC(=O)[C@@H](C)N1CCC(NC(=O)[C@H](C)C#N)CC1 1226647821 DQGRDVMQUJAKID-NXEZZACHSA-N 309.370 -0.429 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)c2ocnc2C)CC1 1226749305 CKAZOSLOXRHLRW-UHFFFAOYSA-N 304.350 -0.073 30 20 DBED C#CCN1CCS(=O)(=O)[C@H](CCNC(=O)c2cnco2)C1 1230476983 HDEKCLRFCPBBIE-LLVKDONJSA-N 311.363 -0.473 30 20 DBED COCC1(CC(=O)N(C)C[C@@H]2CCN2CC(=O)NCC#N)CC1 1234235528 PEQVRUKZIDUPIS-ZDUSSCGKSA-N 322.409 -0.024 30 20 DBED C=C(C)CN1CC[C@H]1CN(C)C(=O)CN(C)S(C)(=O)=O 1234973223 HPVCIDAPIOZJHC-LBPRGKRZSA-N 303.428 -0.013 30 20 DBED COCCn1ccc(NC(=O)C(=O)N2CCO[C@H](C#N)C2)n1 1319197493 YOEPXIPGMVNHNF-SNVBAGLBSA-N 307.310 -0.781 30 20 DBED C=CCNC(=O)CNC(=O)C(=O)Nc1ccn(CCCOC)n1 1319865171 ZZMAHHNWBBCGSF-UHFFFAOYSA-N 323.353 -0.724 30 20 DBED C=CCS(=O)(=O)CCNC(=O)Cn1cc([C@@H](C)O)nn1 1320304848 JQQRFIQNFQQSDX-SECBINFHSA-N 302.356 -0.952 30 20 DBED COCCN(CCO)C(=O)C(=O)Nc1ccc(OCC#N)cc1 1320894413 ILEVNDZBBBRWPC-UHFFFAOYSA-N 321.333 -0.005 30 20 DBED CS(=O)(=O)C1(CNC(=O)NC2CCN(CC#N)CC2)CC1 1321041816 CNBREOZMLYWJLY-UHFFFAOYSA-N 314.411 -0.149 30 20 DBED C#CCCCNC(=O)C(=O)N1CCOC[C@H]1c1noc(C)n1 1323218868 OZAUFULALUJZRE-NSHDSACASA-N 306.322 -0.192 30 20 DBED C=CCCOCCNC(=O)C(=O)NC[C@H]1CC(=O)N(C2CC2)C1 1324534577 DPDBYISWBGHGIF-GFCCVEGCSA-N 323.393 -0.178 30 20 DBED N#C[C@H]1CC[C@@H](NC(=O)C(=O)N2CCN(C(=O)C3CC3)CC2)C1 1326718857 SGNCASRTCPLTPA-WCQYABFASA-N 318.377 -0.124 30 20 DBED C#CCOCCNC(=O)C(=O)N(CCOC)C1CCOCC1 1331265978 VMOISTKVGRIPJD-UHFFFAOYSA-N 312.366 -0.594 30 20 DBED C=CCn1nnnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1332473931 NUNXETVEYPTLNR-NSHDSACASA-N 314.415 -0.033 30 20 DBED C[C@@H](Cc1cccnc1)NC(=O)C(=O)N1CCO[C@@H](C#N)C1 1333889646 REXPAIWRVQNDKK-AAEUAGOBSA-N 302.334 -0.120 30 20 DBED N#CCOc1cccc(NC(=O)C(=O)NN2CCCNC2=O)c1 1339012200 VXZALSLXQPKHRM-UHFFFAOYSA-N 317.305 -0.026 30 20 DBED CNC(=O)CCN(C)C(=O)C(=O)NCc1ccc(C#N)cc1 1345749168 SYZQHQBYZDDELB-UHFFFAOYSA-N 302.334 -0.231 30 20 DBED COCC#CC(=O)NCc1ccc(S(=O)(=O)CCO)cc1 1347753329 MTZVAPOEYUIALY-UHFFFAOYSA-N 311.359 -0.281 30 20 DBED CNC[C@@H]1CCCN1C(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1348619474 XYJHOBHMDRAVCV-UONOGXRCSA-N 319.409 -0.604 30 20 DBED C[C@@H]1CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)[C@H]1CO 1362503739 UEOPBRDKOVQZNQ-KOLCDFICSA-N 306.322 -0.560 30 20 DBED C[C@@H]1[C@@H](CO)CCCN1C(=O)CCn1cc(C#N)c(O)nc1=O 1362538684 RQIKBFUIHPHKEO-GHMZBOCLSA-N 320.349 -0.170 30 20 DBED C[C@H]1[C@H](CO)CCCN1C(=O)CCn1cc(C#N)c(O)nc1=O 1362538690 RQIKBFUIHPHKEO-QWRGUYRKSA-N 320.349 -0.170 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN([C@H](C)C(=O)NC2CCCC2)C1 1376139521 DFVBIBMCJASDMD-NWDGAFQWSA-N 322.409 -0.244 30 20 DBED C[C@H](CNC(=O)c1cc(C#N)c[nH]1)N(C)Cc1nnnn1C 1381504850 GLSNLJJIPIBIMR-SECBINFHSA-N 302.342 -0.340 30 20 DBED CCCS(=O)(=O)CC(=O)NC[C@H]1CCN1C(=O)[C@H](C)C#N 1389638815 DDVCUPGTBQFWSG-GHMZBOCLSA-N 315.395 -0.312 30 20 DBED Cc1nn(CC(=O)N(C)C[C@@H](C)NC(=O)[C@H](C)C#N)c(=O)n1C 1395636912 IHFQZHHZNMALAA-NXEZZACHSA-N 322.369 -0.987 30 20 DBED COCCN(CCNC(=O)[C@]1(F)CCOC1)C(=O)[C@@H](C)C#N 1396152101 KXRZYHAGDDERCF-FZMZJTMJSA-N 315.345 -0.134 30 20 DBED C[C@@H](C#N)C(=O)NC1CC2(C1)CC(NC(=O)[C@H]1C[C@H]1C(N)=O)C2 1396734397 XIQCWWVNKOBBTM-AJNKXCGOSA-N 318.377 -0.189 30 20 DBED C[C@H](C(=O)NCCN(C)C(=O)c1cc(C#N)c[nH]1)n1cncn1 1397899055 SPWGPUWHXQTOFI-SNVBAGLBSA-N 315.337 -0.073 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CCCN(C(=O)[C@@H]2CCCN2C(N)=O)C1 1409018599 YBOVJDLDGNNUPV-SRVKXCTJSA-N 321.381 -0.204 30 20 DBED CO[C@@H](C(=O)NCC1CN(C(=O)[C@H](C)C#N)C1)c1cnn(C)c1 1416109400 YXTUDHHIKWXMLA-ZWNOBZJWSA-N 319.365 -0.158 30 20 DBED C[C@@H](C#N)C(=O)NC[C@](C)(NC(=O)C1(NC(N)=O)CC1)C1CC1 1416347648 MHBVYIPZXMQJQY-XPTSAGLGSA-N 321.381 -0.252 30 20 DBED N#Cc1cnc(N2CCN(CCS(N)(=O)=O)CC2)c(F)c1 1421086069 ZKWXINJYSBQHMM-UHFFFAOYSA-N 313.358 -0.497 30 20 DBED CC(=O)N[C@@H](C(=O)N1CCN(C(=O)[C@H](C)C#N)CC1)C(C)C 1429486874 HPNLESLGZHINQA-DGCLKSJQSA-N 308.382 -0.022 30 20 DBED C[C@@H](CN(C)C(=O)c1ncn(C)n1)NC(=O)c1c[nH]c(C#N)c1 1443790002 GZOSJHWNXNYIBY-VIFPVBQESA-N 315.337 -0.095 30 20 DBED CCN(C(=O)Cn1cnnn1)[C@@H]1CCN(C(=O)[C@@H](C)C#N)C1 1450759431 RERMHWOWESASSL-WDEREUQCSA-N 305.342 -0.718 30 20 DBED C[C@@H](C#N)C(=O)NCCN1CCN(C(=O)c2ccon2)CC1 1453947500 LRIWBCHXWNHAQI-NSHDSACASA-N 305.338 -0.292 30 20 DBED CNC(=O)c1ccc(C(=O)N2CC(NC(=O)[C@@H](C)C#N)C2)cn1 1456397359 RQJBGRZTKXTSTQ-VIFPVBQESA-N 315.333 -0.459 30 20 DBED N#CC[C@@]1(O)CCN(S(=O)(=O)C2CCS(=O)(=O)CC2)C1 1463967378 ZNHIFLBHLKTTID-LLVKDONJSA-N 322.408 -0.756 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H](C)CCNC(=O)c1cc(C)nn1C 1480752330 QFQKSWJIPLSZLN-WCQYABFASA-N 319.409 -0.036 30 20 DBED CC[C@H](C(=O)N1CC[C@@H](CN(C)CC(=O)NCC#N)C1)N(C)C 1481488081 BECDTJSKDLIQRC-UONOGXRCSA-N 323.441 -0.253 30 20 DBED CN1CCC[C@@H](NC[C@@H](O)CNC(=O)c2cc(C#N)c[nH]2)C1=O 1482718933 RMTUXRHJLJFKKI-VXGBXAGGSA-N 319.365 -0.813 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CC[C@H](NC(=O)CCn2cnnn2)CC1 1531908489 LWXMXFMUYRBEAQ-IJLUTSLNSA-N 319.369 -0.234 30 20 DBED Cc1cnc(C(=O)NC[C@@]2(O)CCN(C(=O)[C@@H](C)C#N)C2)cn1 1537292701 OQCXLETZGREIHK-BONVTDFDSA-N 317.349 -0.362 30 20 DBED N#CC1(C(=O)O)CCN(C(=O)[C@H]2CCc3nnnn3CC2)CC1 1571139449 LITMMAHNXNKWEH-JTQLQIEISA-N 318.337 -0.157 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)c2cncc(-c3cnn[nH]3)c2)C1 1575103561 GJNPVFCHJROCCC-ZIAGYGMSSA-N 314.349 -0.172 30 20 DBED N#CCN1CCC(NC(=O)[C@H]2CCCN(CCN)C2=O)CC1 1580052670 RDLSMWUAAMDXDQ-CYBMUJFWSA-N 307.398 -0.712 30 20 DBED Cc1[nH]c(-c2nn[nH]n2)cc1C(=O)N1CC[C@@](O)(CC#N)C1 1591781744 NNXUCUDFKGVBQD-ZDUSSCGKSA-N 301.310 -0.006 30 20 DBED CN(C)C[C@@]1(O)CCN(c2cnc(C#N)c(-c3nn[nH]n3)n2)C1 1604680446 ODPPTWQYPKEUGI-ZDUSSCGKSA-N 315.341 -0.969 30 20 DBED COc1cc(C#N)ccc1OCC(=O)N1CC[C@](O)(C(=O)O)C1 1607065263 TUNISPPYPIXSAJ-OAHLLOKOSA-N 320.301 -0.006 30 20 DBED C[C@@H](C(=O)N1C[C@H]2COCC[C@@]2(C(=O)O)C1)n1cnc(C#N)n1 1609633881 RTZRNOBTXRZOGV-PKFCDNJMSA-N 319.321 -0.340 30 20 DBED C#CCCCCC(=O)N[C@@H]1CCN(CC(=O)NC(=O)NC)C1 1713082069 YCBAOZLFCGBMME-GFCCVEGCSA-N 308.382 -0.174 30 20 DBED C#CCCNCCNC(=O)[C@@H]1CCCN(C(=O)c2nc[nH]n2)C1 1752927164 OOSGADLHIQOERJ-GFCCVEGCSA-N 318.381 -0.614 30 20 DBED COC[C@@H](C)CC(=O)NC[C@@H]1CCCN1CC(=O)NCC#N 1753115524 XVPKHVUDLLIXMM-STQMWFEESA-N 310.398 -0.121 30 20 DBED C=C(Br)CNCCN(C)C(=O)CNC(=O)NC 1753194386 JAUMJGVKCNBPFT-UHFFFAOYSA-N 307.192 -0.128 30 20 DBED N#CCNCC[C@@H]1CCCN(C(=O)Cn2cnc(C(N)=O)n2)C1 1753549341 UUHDTFLWQIHQJK-NSHDSACASA-N 319.369 -0.881 30 20 DBED C#CCNC(=O)CNC[C@H](O)CNC(=O)Cc1ccc(F)cc1 1753936339 UUAYRFUXVGEVCK-AWEZNQCLSA-N 321.352 -0.816 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(CC)CCNCC(=O)NCC#N 1754050053 HYMAJLNHEDRCQC-AWEZNQCLSA-N 319.409 -0.838 30 20 DBED C=CCN1CC[C@@H](NC/C=C/CNC(=O)c2[nH]nnc2C)C1=O 1754165423 AFJKOFXRXKZCMC-ZYOFXKKJSA-N 318.381 -0.224 30 20 DBED CCn1nc(C)cc1C(=O)NC/C=C\CNCC(=O)NCC#N 1754172324 WJDZXIHKLDZLGB-PLNGDYQASA-N 318.381 -0.273 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@@H]1CNC(=O)c1cnn(CC)c1 1754476633 AIZNGOQTTJNCNJ-TZMCWYRMSA-N 317.393 -0.155 30 20 DBED C#CCN(C(=O)Cc1cnc(C)o1)C1CCN(CC(N)=O)CC1 1754639177 YKKRKTMFADFKOQ-UHFFFAOYSA-N 318.377 -0.063 30 20 DBED C#CCN(C(=O)[C@@H]1CN(C)C(=O)N1)C1CCN(C[C@H](C)O)CC1 1754639855 YDPWMKCZNFNFAG-JSGCOSHPSA-N 322.409 -0.683 30 20 DBED COCC#CCN1CC[C@](O)(CNC(=O)c2ccsn2)C1 1754753695 IUFPHCJRLOPACN-AWEZNQCLSA-N 309.391 -0.041 30 20 DBED C=C[C@@](C)(CC)C(=O)NCC1(O)CN(CC(=O)N2CCC2)C1 1754773317 KZDFCQXNGWQQEL-HNNXBMFYSA-N 309.410 -0.016 30 20 DBED C=C(C)CN1CCC(CO)(NC(=O)C[C@@H]2NC(=O)NC2=O)CC1 1755177986 LETDXQXIMICXCA-NSHDSACASA-N 324.381 -0.896 30 20 DBED C[C@H](CNC(=O)C[C@@H]1COC(=O)C1)N(C)CC(=O)NCC#N 1755297640 LKJFLRNBSPWKCU-MNOVXSKESA-N 310.354 -0.984 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)[C@@H]2CN(C)C(=O)N2)CC1(C)C 1755760723 SRTMAWWEEXBJSK-QWHCGFSZSA-N 322.409 -0.514 30 20 DBED C=CCNC(=O)CNC[C@@H](O)CN(C)C(=O)c1n[nH]c(C)c1C 1755774959 NUCRHDJANVGSGU-GFCCVEGCSA-N 323.397 -0.649 30 20 DBED C=CCNC[C@@H](O)CN(C)C(=O)CNC(=O)c1ccncc1 1755781171 RSNGXVUOLUEHFX-CYBMUJFWSA-N 306.366 -0.594 30 20 DBED CC#CCCCC(=O)NCC1CC(NC(=O)[C@@H]2CNC(=O)N2)C1 1755943012 SVDJDPZTSMRPOO-BPCQOVAHSA-N 320.393 -0.128 30 20 DBED C=CCCC(=O)NC[C@H](CO)NC(=O)c1cc2ncccn2n1 1756508696 ZYZUKZJKZVIFNT-LLVKDONJSA-N 317.349 -0.098 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@H](CO)NC(=O)[C@@H]1C[C@@H]2C[C@@H]2C1 1756515407 LHDXQQCRKXTYAO-ZWEPEPIOSA-N 310.394 -0.047 30 20 DBED C=C1CC(C)(C(=O)N(C)C[C@@H](O)CNC(=O)C2(C(N)=O)CC2)C1 1756678831 SDADHWKOUCFWDI-NSHDSACASA-N 323.393 -0.456 30 20 DBED C=CCCC(=O)N[C@@H]1CN(C(=O)[C@@H](C)NC(C)=O)C[C@H]1OC 1757121140 YONCUTMVTDDPDU-RAIGVLPGSA-N 311.382 -0.181 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H]1CCN(C(=O)C(N)=O)CC(C)(C)C1 1757551639 AFMHFTNDGWNERG-RYUDHWBXSA-N 323.393 -0.357 30 20 DBED C#CC(=O)N1CCO[C@]2(CCN(C(=O)CCc3ncc[nH]3)C2)C1 1784271892 RKYCGEZPODXENK-INIZCTEOSA-N 316.361 -0.195 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCCCN1C 1793007349 QEZYPQWWJQDQTB-FQLMCAECSA-N 319.405 -0.307 30 20 DBED CC(C)[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC#N 1795416646 FNRHIZJZKGOYMH-NEBZKDRISA-N 323.393 -0.103 30 20 DBED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)CNC(C)=O)C2 1841603638 YRCIHOOJVSATFF-GFCCVEGCSA-N 321.377 -0.636 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)[C@H](C)NC=O)C2 1841610472 MHPPBCLVPMFTSL-STQMWFEESA-N 323.393 -0.085 30 20 DBED C#CC(=O)N1CC2(CCCN2C(=O)CCc2ccc(O)nn2)C1 1845756066 WFLHOMYWKRTITA-UHFFFAOYSA-N 314.345 -0.049 30 20 DBED CNS(=O)(=O)c1cccc(C/N=C(/N)N2CCOCC2)c1 104169467 USOGVKOTUZXFGU-UHFFFAOYSA-N 312.395 -0.258 30 20 DBED N#CCNC(=O)Cn1nnc2c(cnn2-c2ccccc2)c1=O 119381403 RASNDUNXTRWCPG-UHFFFAOYSA-N 309.289 -0.383 30 20 DBED C[C@H](NS(C)(=O)=O)C(=O)N(CCC#N)CCCN(C)C 174290127 SPMKATXLYHYRQR-NSHDSACASA-N 304.416 -0.382 30 20 DBED C=CCOCCCC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 266269080 PIMZNNYOTIJMSL-UHFFFAOYSA-N 323.393 -0.081 30 20 DBED C[C@@H](O)CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 269484449 RFNVWAADXNZWRO-NXEZZACHSA-N 311.363 -0.278 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCSC2=O)C1=O 270515600 YKGHWZRMTOKOPS-SSDOTTSWSA-N 311.319 -0.889 30 20 DBED COCC[C@H](NS(=O)(=O)c1cncc(C#N)c1)C(=O)OC 289754384 FOSPEAZPYUQNDU-NSHDSACASA-N 313.335 -0.190 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@H](CO)C[C@@H]2C)C1=O 291981666 VMBNPDALRDUENN-QWRGUYRKSA-N 323.349 -0.417 30 20 DBED N#Cc1cncc(S(=O)(=O)N[C@H]2CCCS(=O)(=O)C2)c1 312564314 XJCJETOMASGBDK-JTQLQIEISA-N 315.376 -0.191 30 20 DBED C=C(C)Cn1c(C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 328747985 LVTFWAXRVIWJIV-LLVKDONJSA-N 304.354 -0.690 30 20 DBED C[C@@H](C/N=C(/O)N(C)[C@@H]1COC[C@H]1O)CN1CCOCC1 329300623 VRXAGXSXELRKPA-YNEHKIRRSA-N 301.387 -0.440 30 20 DBED CN1CCN(C(=O)CC/N=C(/O)N2C[C@@H]3CC[C@H](O)[C@H]3C2)CC1 329760956 QVYGDGSCOOXKMS-IHRRRGAJSA-N 324.425 -0.233 30 20 DBED COCCN1CCN([C@H](C)C(=O)N/C(O)=N/C(C)C)CC1=O 330603415 XHKMPYZSBFNNOS-LLVKDONJSA-N 314.386 -0.396 30 20 DBED C[C@@H](CO)C/N=C(/O)NC1CCN(CC(=O)N(C)C)CC1 330685805 UZVGZCUAJRKKJM-LLVKDONJSA-N 300.403 -0.329 30 20 DBED C/N=C(/O)NCC(=O)N1CCC[C@@H](n2cc(C(=O)OC)nn2)C1 330870343 FNVSGHVNTUGAFS-SECBINFHSA-N 324.341 -0.638 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N(C)[C@H](C)CS(C)(=O)=O 332439117 DPXZYBKPXPBVGI-NXEZZACHSA-N 311.429 -0.170 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H](COC)C(=O)OC 336893695 LKFDYRPTVQEGPI-ZJUUUORDSA-N 307.372 -0.510 30 20 DBED CN(CCS(=O)(=O)c1ccc(C#N)cn1)[C@@H]1CCNC1=O 343695801 SFTVPJBHIRSQGU-LLVKDONJSA-N 308.363 -0.453 30 20 DBED CC[C@@H](C#N)NC(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1 344792436 VNPZBSHNEIPGTQ-JTQLQIEISA-N 309.347 -0.022 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)NC[C@@H]2CCC[C@H](CO)C2)CCO1 344958030 IIOIHBKUGLJEIH-FRRDWIJNSA-N 317.411 -0.156 30 20 DBED C=CCNC(=O)CNC(=O)[C@@H](NS(C)(=O)=O)[C@@H](C)CC 347888121 BVWKAAKNAZXEPD-ONGXEEELSA-N 305.400 -0.631 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N1C[C@H]2CCS(=O)(=O)[C@H]2C1 352643037 DKAQOWGDJQKYCT-MXWKQRLJSA-N 321.424 -0.416 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N1C[C@@H](COC)O[C@H](C)C1 410907612 DVJMSEWEYIKLAD-OLZOCXBDSA-N 314.382 -0.090 30 20 DBED C=C(C)CN(C)C(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CCN 423654409 ARLGPSXXSZWIJG-CYBMUJFWSA-N 324.425 -0.133 30 20 DBED C=CCn1cc(CNC(=O)NCCN2C(=O)CCC2=O)nn1 425452393 NRJASKFTPBUKCB-UHFFFAOYSA-N 306.326 -0.588 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCC[C@H]2CCCN2)C1=O 444263762 FPQCRCCOUZMJMK-SNVBAGLBSA-N 308.338 -0.779 30 20 DBED N#CCC1(O)CN(C(=O)c2ccc(S(N)(=O)=O)cc2F)C1 558714974 UCLYMQPUMZRJAW-UHFFFAOYSA-N 313.310 -0.426 30 20 DBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H]1CCNC1 576123479 LDAMYZRGZVRVJV-RYUDHWBXSA-N 315.381 -0.070 30 20 DBED N#CCNC(=O)CNC(=O)Nc1cccc(OCC(N)=O)c1 588233510 AQHFJLKARNGKCF-UHFFFAOYSA-N 305.294 -0.688 30 20 DBED N#CC[C@]1(O)CCN(C(=O)NCC2(N3CCOCC3)CC2)C1 592016603 LQHWUKWZKXSEMK-HNNXBMFYSA-N 308.382 -0.089 30 20 DBED Cn1c(N[C@@H](CO)c2cccnc2)c(C#N)c(=O)n(C)c1=O 596278380 OJRNYPOVVILKDR-NSHDSACASA-N 301.306 -0.504 30 20 DBED CS(=O)(=O)c1ncn(C[C@@H](O)COc2ccc(C#N)cc2)n1 611112652 SCIYLXDDXUOOCS-LLVKDONJSA-N 322.346 -0.007 30 20 DBED Cn1cc(C#N)c(NC(=O)NC2CC(NS(C)(=O)=O)C2)n1 619789294 LACVNAOGLCBYQO-UHFFFAOYSA-N 312.355 -0.507 30 20 DBED CC#CC[C@H](CO)NC(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 645385981 ADENZFVNZAGWSQ-NWDGAFQWSA-N 317.411 -0.659 30 20 DBED CNC(=O)Cn1cnc(NC(=O)COc2cccc(C#N)c2)n1 741996470 GALUFSFYDCKPCB-UHFFFAOYSA-N 314.305 -0.087 30 20 DBED C#CCNS(=O)(=O)N1CCN(C[C@@H](O)CCC=C)CC1 761038590 WZHPIYHFJOKPBC-ZDUSSCGKSA-N 301.412 -0.601 30 20 DBED Cn1c(NC[C@H](O)c2cccnc2)c(C#N)c(=O)n(C)c1=O 771922947 QPXMSMYTZSETNX-NSHDSACASA-N 301.306 -0.504 30 20 DBED C#C[C@@H](NC(=O)CNS(=O)(=O)CCCOC)[C@H]1CCCO1 772889845 IWTFDEHZWSGVPV-VXGBXAGGSA-N 318.395 -0.761 30 20 DBED CC(C)[C@@](C)(C#N)NC(=O)COC(=O)Cn1cc([C@H](C)O)nn1 777116766 WABQUOWJLXZSRA-IINYFYTJSA-N 323.353 -0.071 30 20 DBED C#CCOCCNC(=O)NCc1ccc(S(N)(=O)=O)s1 784172506 CHNMRGSJNRXAPY-UHFFFAOYSA-N 317.392 -0.156 30 20 DBED C#CCC[C@H](O)CNC(=O)[C@@](C)(O)Cn1ccc(C)cc1=O 799074518 KRUROFSYIXANMH-BBRMVZONSA-N 306.362 -0.202 30 20 DBED C#CCC[C@H](O)CNC(=O)c1cc(N2CCNC(=O)C2)ccn1 799079911 WUIWZLJJAHYDQS-ZDUSSCGKSA-N 316.361 -0.478 30 20 DBED CON(C)C(=O)CNS(=O)(=O)c1ccc(C#N)c(F)c1 817148404 RHIFILWWBJLACM-UHFFFAOYSA-N 301.299 -0.005 30 20 DBED O=C(N[C@@H]1CCCN(O)C1=O)c1ccccc1-n1cnnn1 820482624 OXYTVGHXMNZORY-SNVBAGLBSA-N 302.294 -0.228 30 20 DBED CN(CCC(=O)O)S(=O)(=O)NC1CCN(CC#N)CC1 830742808 PPOHPAAZSHFIKA-UHFFFAOYSA-N 304.372 -0.785 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)CO[C@@H](C)CC)CC1 831565424 RUHWPQXPZYMIDW-LBPRGKRZSA-N 317.411 -0.587 30 20 DBED N#C[C@@H]1CNC[C@H]1NC(=O)c1cccnc1N1CCOCC1 834484666 LMFIOIVIBKXIPK-DGCLKSJQSA-N 301.350 -0.240 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCNC[C@@H]1C(C)C)[C@H]1CCCO1 861753406 YAICSGHXZVOHFB-BFHYXJOUSA-N 307.394 -0.260 30 20 DBED O=C(C#Cc1ccc2c(c1)OCO2)NCCN1CC[C@@H](O)C1 863322123 NVSAYXUSLBQMQT-CYBMUJFWSA-N 302.330 -0.050 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N1CCn2ncnc2C1 875596886 VHQKTFITWGHLMX-LLVKDONJSA-N 305.338 -0.835 30 20 DBED C#CCN1CCC[C@@H](NC(=O)N[C@@H]2CCCS(=O)(=O)C2)C1 888748149 MSSFIHAKSIQNQA-CHWSQXEVSA-N 313.423 -0.040 30 20 DBED C=CCNC(=O)[C@@H](C#N)C(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O 916921461 SXVJVFNFCQPJFJ-ZUZCIYMTSA-N 318.333 -0.282 30 20 DBED O=C(NCC#CCO)N1CCS(=O)(=O)c2ccccc2C1 923774641 VJMWQLPBHOUJIV-UHFFFAOYSA-N 308.359 -0.019 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)[C@@H]2CCCO2)C1 939294041 BTYCFBJRQDCJHV-ILXRZTDVSA-N 319.405 -0.020 30 20 DBED COc1cncc(C(=O)N[C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)n1 940415702 OJABXOIOBHLWQW-VHSXEESVSA-N 303.322 -0.024 30 20 DBED C#CCCN1CC[C@H](NC(=O)Cn2nc(C)n(C)c2=O)[C@H](C)C1 944531896 KKTWMAXTALYVGI-OCCSQVGLSA-N 319.409 -0.260 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2CCCN(C(=O)CC(N)=O)C2)c1 950264626 JJDYPLMZIUCOBW-CYBMUJFWSA-N 314.345 -0.341 30 20 DBED CCN(C(=O)[C@@]12C[C@H]3C[C@@H](C(=O)N1)[C@H]2C3)C1CN(CC#N)C1 950675946 AFWYTWWNDKOWAR-XQCUEUFKSA-N 302.378 -0.043 30 20 DBED CN(C(=O)c1cc(C#N)c[nH]1)C1CN(C(=O)[C@@H]2CCNC2=O)C1 953994829 WOEVEBPMCMTQFG-LLVKDONJSA-N 315.333 -0.695 30 20 DBED C#CCCN1C[C@H](CNC(=O)c2nc[nH]c3nccc2-3)[C@@H](O)C1 958219566 KNHKADPZCHOLNI-AAEUAGOBSA-N 313.361 -0.045 30 20 DBED C#Cc1cncc(C(=O)NC[C@@H]2CN(CCOC)C[C@@H]2O)c1 958389604 ISDDPSAKLNWJFO-CABCVRRESA-N 303.362 -0.268 30 20 DBED CC#CCN1C[C@@H](O)[C@H](CNC(=O)c2cccnc2C(N)=O)C1 958715845 IUNZFJJUBPQXCY-DGCLKSJQSA-N 316.361 -0.774 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cc2ccnn2C)C1 958834307 POYCBYRGDDLHDN-DRZSPHRISA-N 319.365 -0.848 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@H](NC(=O)c2cnccn2)C1 961282866 MGWKSCLNFRTBIV-NEPJUHHUSA-N 304.350 -0.010 30 20 DBED C#CCN1C[C@H]2[C@H](NC(=O)c3ccc(-n4cnnn4)cc3)[C@H]2C1 962482233 ZQTWATWQDWLQIG-FICVDOATSA-N 308.345 -0.045 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)C1CCN(C)CC1 964237855 PZSWLIQNWUYDGJ-GXTWGEPZSA-N 322.409 -0.169 30 20 DBED C[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1NC(=O)c1c[nH]c(=O)cn1 966415344 VMRPXVWJVIAGOU-GWCFXTLKSA-N 314.345 -0.240 30 20 DBED C#CCN1CC[C@H](C)[C@H](NC(=O)c2nc(O)nc(O)c2OC)C1 968539235 MTVCWRDJJKOIOG-VHSXEESVSA-N 320.349 -0.030 30 20 DBED Cn1c(O)ncc(C(=O)NC[C@@H]2CCCCCN2CC#N)c1=O 968979970 NHTHCXAITGNALU-NSHDSACASA-N 319.365 -0.016 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)c3nccnc3N)[C@@H]2C1 971587818 BCTCIEATLYYSOY-GMTAPVOTSA-N 314.349 -0.109 30 20 DBED CCN1CCO[C@H](C(=O)N2CC[C@@]3(CN(CC#N)CCO3)C2)C1 972682100 CRDQIBUICXFUQH-GOEBONIOSA-N 322.409 -0.466 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)c3cn(C)c(=O)n3C)C2)C1 972692857 BXLVQBMPOGGTCU-MRXNPFEDSA-N 318.377 -0.726 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2ncn(C)n2)C1 973237414 BGBFUUNJECHTER-KKOKHZNYSA-N 319.365 -0.217 30 20 DBED C=C1CC(C)(C(=O)N[C@H]2[C@@H]3CN(C(=O)[C@@H]4CNC(=O)N4)C[C@@H]32)C1 977151448 SPNLEUHUMGMTOR-WHOHXGKFSA-N 318.377 -0.403 30 20 DBED N#CCN1C[C@H]2[C@H](CNC(=O)[C@@H]3CCCCS3(=O)=O)[C@H]2C1 978254543 WYFRQHCNFRPJRR-RVMXOQNASA-N 311.407 -0.229 30 20 DBED C#CCN1CCCC2(C1)CN(C(=O)[C@@H]1CC(=O)NC(=O)N1)C2 982042620 PHJLBLPPBXPZAD-NSHDSACASA-N 304.350 -0.858 30 20 DBED C[C@H]1[C@H](NCc2nnn(C)n2)CCN1C(=O)c1ccc(C#N)[nH]1 986186731 QYTWKMBHYQZJLK-GXSJLCMTSA-N 314.353 -0.197 30 20 DBED Cn1nccc1C(=O)N[C@@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1O 991322338 AXQSLPMPTNXRKP-OCCSQVGLSA-N 316.361 -0.475 30 20 DBED Cc1nn[nH]c1C(=O)N[C@@H]1CCN(C(=O)C#CC2CC2)C[C@H]1O 991654940 WSGBZZFEEAPCJD-VXGBXAGGSA-N 317.349 -0.782 30 20 DBED C[C@]1(C(=O)NC2CN(C(=O)C#CC3CC3)C2)CCNC(=O)C1 994861643 WEOAEPYMIHJKPJ-INIZCTEOSA-N 303.362 -0.357 30 20 DBED Cn1nnnc1CN[C@H]1CN(C(=O)C#CC2CC2)CC1(C)C 995779512 UGQVHNVKTOBXMS-LBPRGKRZSA-N 302.382 -0.050 30 20 DBED C[C@H](C#N)C(=O)N1CC(CNC(=O)[C@@H]2CCc3nn[nH]c3C2)C1 1003315962 ZMBNXMYBCQGWIE-MWLCHTKSSA-N 316.365 -0.356 30 20 DBED C[C@H]1[C@H](NC(=O)Cc2nc[nH]n2)CCN1C(=O)C#CC1CC1 1011743293 XJGLLTWHUISDKD-CMPLNLGQSA-N 301.350 -0.134 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2C(NC(=O)CN3CCCCC3=O)[C@@H]2C1 1013382318 CKNHFZFJEOAHFR-IJLUTSLNSA-N 318.377 -0.268 30 20 DBED Cc1cncn1CC(=O)NC1[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]12 1013430447 XGXWHYQIIWUELK-MVWJERBFSA-N 301.350 -0.076 30 20 DBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C1CC(NC(=O)C(N)=O)C1 1016560052 QXCVMKUQKXPMSG-TYUFSLCMSA-N 323.393 -0.051 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2CCCN(CC(N)=O)C2)cn1 1023710567 NIHSWXVRERIGFD-LBPRGKRZSA-N 300.362 -0.010 30 20 DBED C#CCN1CCC(C(=O)N[C@@H]2CN(C(=O)C3CC3)C[C@H]2O)CC1 1024131821 NGDGLVHYXCXIBF-HUUCEWRRSA-N 319.405 -0.571 30 20 DBED C#CCN1[C@H]2CC[C@H]1CN(C(=O)CN1CCN(C)C(=O)C1)C2 1029368337 GASZXRMJCJCREX-KBPBESRZSA-N 304.394 -0.931 30 20 DBED CN(Cc1nnnn1C)C[C@@H]1CCN(C(=O)C#CC2CC2)C1 1029733005 DXZSVKCRLITBSZ-ZDUSSCGKSA-N 302.382 -0.096 30 20 DBED C#CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cn2nc(C)cc2[nH]c1=O 1032682118 ZGRZLRVMDXCUIG-RYUDHWBXSA-N 311.345 -0.137 30 20 DBED C=C(Cl)CN1CCO[C@H](CNC(=O)c2c[nH]c(=O)cn2)C1 1035486941 FWDDMFVUDDPEKJ-SNVBAGLBSA-N 312.757 -0.047 30 20 DBED C=CCN1CCO[C@H](CNC(=O)[C@H]2CCCCN2C(N)=O)C1 1035571773 JGVZUPUEDHPKCU-CHWSQXEVSA-N 310.398 -0.077 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)c2ccc(N(C)C)nn2)C1 1035581841 PIGZQQBJKNUJFM-LBPRGKRZSA-N 303.366 -0.394 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)CN3CCCNC3=O)CC[C@@H]21 1036759640 OVSQNICMLKZKPY-KGLIPLIRSA-N 304.394 -0.042 30 20 DBED C=C(C)CN1CC[C@@H]1CNC(=O)[C@H]1CCN(C)S1(=O)=O 1038801398 MKYSSCPEGIQMFN-VXGBXAGGSA-N 301.412 -0.213 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@]1(O)CCN(C(=O)C(F)F)C1 1039578899 AYLFAXHHWJQGDW-STQMWFEESA-N 306.309 -0.342 30 20 DBED C#CCCCC(=O)NC[C@]1(O)CCN(C(=O)c2[nH]nnc2C)C1 1039580064 NDQKKPCHNSHVGJ-OAHLLOKOSA-N 319.365 -0.390 30 20 DBED C=CCO[C@H](C)C(=O)N1CC[C@@](O)(CNC(=O)c2ncc[nH]2)C1 1039662023 KBLYERSKHVPQLI-IAQYHMDHSA-N 322.365 -0.306 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)c2cnn(C)c2)C1 1040764807 ZHHKVCBTJXKINI-HZMBPMFUSA-N 305.338 -0.727 30 20 DBED C=CCCC1(C(=O)NC[C@@]2(O)CCN(C(=O)C(N)=O)C2)CC1 1040813542 RXIVFTRLXODOOS-HNNXBMFYSA-N 309.366 -0.702 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCCCO3)C2)nn1 1040974476 APWCAGKGZJTFGZ-UPJWGTAASA-N 317.349 -0.417 30 20 DBED C=CCCOCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCCO2)C1 1041360214 UYJUXRVRTROMRZ-LBPRGKRZSA-N 312.366 -0.552 30 20 DBED CC(C)(C)C#CC(=O)N1CC(O)(CNC(=O)[C@@H]2CCOC2)C1 1041877453 AKNZSVFYSUZBJK-GFCCVEGCSA-N 308.378 -0.238 30 20 DBED C#CCCCCC(=O)NCC1(O)CN(C(=O)CC(=O)NC)C1 1042655573 QOUPLBSPRJBPTJ-UHFFFAOYSA-N 309.366 -0.994 30 20 DBED C#CCCCCC(=O)NCC1(O)CN(C(=O)Cn2cncn2)C1 1042664159 PXSSFISBNFAPJH-UHFFFAOYSA-N 319.365 -0.839 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)Cc2nnc(C)o2)C1 1042894212 XYMGAWRHKQTINM-UHFFFAOYSA-N 322.365 -0.178 30 20 DBED C=C(C)CCC(=O)N1CC(O)(CNC(=O)C[C@H]2CCNC2=O)C1 1043365193 JNNGRDPCTCIINI-GFCCVEGCSA-N 323.393 -0.442 30 20 DBED N#Cc1nccnc1N1C[C@H](O)[C@H](NC(=O)c2ccon2)C1 1043862415 ADGNHOVDGMXFKM-MNOVXSKESA-N 300.278 -0.684 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)CCc2ccon2)C1 1043872119 INJSHDMCICKUFA-UHFFFAOYSA-N 319.361 -0.044 30 20 DBED C#CCCCCC(=O)N1CC(O)(CNC(=O)[C@H]2CCNC2=O)C1 1044444916 WRSYIJHSDBCNSX-LBPRGKRZSA-N 321.377 -0.994 30 20 DBED C=C(C)C[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2cnnn2C)C1 1045055300 PLRGWVPFTXUAKS-LLVKDONJSA-N 321.381 -0.280 30 20 DBED C=CCCCC(=O)NCC1(O)CN(C(=O)[C@H]2CCNC2=O)C1 1045462533 JZSZOBLCAKAKCP-NSHDSACASA-N 309.366 -0.832 30 20 DBED N#CCN1[C@H]2CC[C@H]1CN(C(=O)[C@H]1CCS(=O)(=O)N1)CC2 1045892185 DWMPJEMUYMUYCU-SDDRHHMPSA-N 312.395 -0.733 30 20 DBED C[C@@H](C#N)C(=O)N1CCN([C@H]2CCN(Cc3cnon3)C2)CC1 1046013218 VFMJUJJAEXUOAI-JSGCOSHPSA-N 318.381 -0.052 30 20 DBED CN1CC[C@H](C(=O)N2CCN([C@H]3CCN(CC#N)C3)CC2)C1 1046082918 YCJRNGFMDHNSTE-GJZGRUSLSA-N 305.426 -0.320 30 20 DBED CO[C@@H](CC(C)C)C(=O)NCC1(O)CN(C(=O)[C@H](C)C#N)C1 1046186120 IGQQRKACXSTKAW-NEPJUHHUSA-N 311.382 -0.103 30 20 DBED N#Cc1ccc(N[C@H]2C[C@H](CNC(=O)[C@H]3C[C@H]3C(N)=O)C2)nn1 1047020220 XWTLBCVLBMXKOV-HKWIRBFKSA-N 314.349 -0.224 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC(=O)N(CCC)C2)C1 1047547778 AZYCTFOCKBBIAU-KKUMJFAQSA-N 321.421 -0.228 30 20 DBED C=C(C)CN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CN(CC)CCO2)C1 1047632808 BFKJPBCIQLBMEM-KKUMJFAQSA-N 311.426 -0.213 30 20 DBED C#CCCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CNC(C)=O)C1 1048078900 VSZCFPGEHOOZDT-KBPBESRZSA-N 323.393 -0.654 30 20 DBED C[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1CNCc1nnnn1C 1048253352 PDISUFHVZLPAGY-AAEUAGOBSA-N 302.382 -0.192 30 20 DBED COC[C@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C#CC2CC2)C1 1048821107 HDXMZUBOUCHSOL-UBHSHLNASA-N 308.378 -0.288 30 20 DBED CN(C(=O)C#CC1CC1)[C@H]1CN(C(=O)c2cocn2)C[C@@H]1O 1048821117 HGVOJLDFDOQROQ-STQMWFEESA-N 303.318 -0.268 30 20 DBED C[C@@H](NC(=O)C#CC1CC1)[C@@H]1CCN(C(=O)Cn2cnnn2)C1 1049966751 FIRIYICYKRQCOK-DGCLKSJQSA-N 316.365 -0.560 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)[C@H]1CCCc2nn[nH]c21 1051086156 JONLGGQKEHSYPL-RYUDHWBXSA-N 303.366 -0.325 30 20 DBED CN1CC[C@@H](C(=O)N2CC[C@H](N3CCN(CC#N)CC3)C2)C1=O 1052065951 QAFMSHCPLCSKHU-UONOGXRCSA-N 319.409 -0.793 30 20 DBED C#CCCN1CCC[C@H](NC(=O)c2cn(CC(N)=O)nn2)CC1 1052957243 DHCFOFYGTOVDBA-LBPRGKRZSA-N 318.381 -0.629 30 20 DBED N#CCN1CC2(C1)CN(C(=O)[C@H]1CN3CCC1CC3)CCO2 1053259206 KUDCSGFPBMHPPQ-AWEZNQCLSA-N 304.394 -0.235 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)Cc1cn(CC)nn1)CCO2 1053353141 GPAGOTCPWZRJTE-UHFFFAOYSA-N 317.393 -0.223 30 20 DBED C=CCN1CC2(C[C@H](NC(=O)c3cn(C)c(=O)cn3)CO2)C1 1053874777 JBARVSSMLOFZJU-NSHDSACASA-N 304.350 -0.461 30 20 DBED C=CCOCC(=O)N1C[C@@H]2CN(C(=O)c3[nH]nnc3C)C[C@@H]2C1 1055250817 NJIIKOREPJDUGM-TXEJJXNPSA-N 319.365 -0.154 30 20 DBED C[C@H](C#N)C(=O)N[C@]1(CO)CCCN(C(=O)CCN(C)C)C1 1056096628 JQGVFMBENBKPGL-IUODEOHRSA-N 310.398 -0.433 30 20 DBED N#Cc1cnccc1N1C[C@@H]2C(NC(=O)[C@@H]3CCC(=O)N3)[C@H]2C1 1056263662 QLXIGKQLXHFFGM-SRVKXCTJSA-N 311.345 -0.217 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)C(N)=O 1056401456 GTXQWLMMZQUJNH-IJLUTSLNSA-N 307.350 -0.898 30 20 DBED N#Cc1cnc(N[C@@H]2CCN(C(=O)[C@H]3COCCO3)C2)cn1 1056556542 DPJZTLUWAFJWFW-ZYHUDNBSSA-N 303.322 -0.224 30 20 DBED C=CCCO[C@@H](C)C(=O)NCCN(CCO)C(=O)COC 1056784251 GALYKTVGLCPDTR-LBPRGKRZSA-N 302.371 -0.449 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)c1n[nH]cc1C 1057193558 JDKTYWUNLYHOBT-UHFFFAOYSA-N 310.354 -0.529 30 20 DBED C=C[C@H](C)[C@@H](C)C(=O)NCCN(CCO)C(=O)CC(=O)NC 1057417005 MKQKFXOIIWUTML-NWDGAFQWSA-N 313.398 -0.482 30 20 DBED C#CCOCCC(=O)N(CCO)CCNC(=O)[C@H](C)OCC 1057581018 KJBUOIXDVZFAEH-ZDUSSCGKSA-N 314.382 -0.612 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)CC(=O)N(C)C 1057622864 OMQZNBPJIXNJGV-UHFFFAOYSA-N 311.382 -0.939 30 20 DBED C=CCO[C@H](C)C(=O)N(CCO)CCNC(=O)[C@H](C)COC 1057921483 ITDRTZSRQIEYGM-CHWSQXEVSA-N 316.398 -0.203 30 20 DBED Cc1cc(C#N)nc(N2CC[C@H](NC(=O)[C@@H]3CCNC3=O)C2)n1 1058507404 FABHRLZCVPARIX-CMPLNLGQSA-N 314.349 -0.512 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)C[C@@H](C)n1cccn1 1058656910 MVZLWBVPAJYREJ-CHWSQXEVSA-N 321.381 -0.069 30 20 DBED C[C@]1(C(=O)N2CC[C@H](Nc3nccnc3C#N)C2)CNC(=O)C1 1059007537 BLIALXYAVMHODM-ZUZCIYMTSA-N 314.349 -0.113 30 20 DBED N#Cc1nc(=N[C@H]2C[C@H](NC(=O)[C@H]3COCCO3)C2)cc[nH]1 1059161287 GAWDJVFAJCEVJV-GMTAPVOTSA-N 303.322 -0.755 30 20 DBED C=CCCC(=O)NC[C@H]1COCCN1C(=O)CS(C)(=O)=O 1061395973 DFGUMHCUNNTHGE-NSHDSACASA-N 318.395 -0.659 30 20 DBED CNC(=O)CCCC(=O)NC[C@H]1COCCN1C(=O)[C@H](C)C#N 1061521801 IGXHBEZSHAPJFV-NEPJUHHUSA-N 324.381 -0.594 30 20 DBED O=C(C#CC1CC1)NC[C@H]1COCCN1C(=O)c1cncnc1 1061569563 HLGYXRCFAILOSB-AWEZNQCLSA-N 314.345 -0.153 30 20 DBED N#Cc1ccc(N2CC[C@@H](CNC(=O)[C@H]3C[C@H]3C(N)=O)C2)nn1 1061732471 PBCAUZHZUFDAQE-WCQGTBRESA-N 314.349 -0.588 30 20 DBED C=CCOCC(=O)NCC1(NC(=O)C(=O)NCC2CC2)CCC1 1062702954 KSHAWBVMDNYSOT-UHFFFAOYSA-N 323.393 -0.130 30 20 DBED CN(C(=O)[C@@H]1COC(=O)N1)[C@H]1CCN(c2nccnc2C#N)C1 1062929149 ZWRCPBKYGNVCJK-ONGXEEELSA-N 316.321 -0.506 30 20 DBED C#Cc1ccc(C(=O)NCC2(NC(=O)C(N)=O)CCC2)cn1 1063834559 QWOXQSNGGWLMFI-UHFFFAOYSA-N 300.318 -0.683 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(C(=O)C2=COCCO2)CCO1 1064802219 VZTPBWJSEZAXLF-ZDUSSCGKSA-N 320.345 -0.368 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCO[C@H](CNC(=O)c2cnon2)C1 1065154668 MNIHNCBFSHPMJH-WDEREUQCSA-N 322.321 -0.935 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CN(C(=O)C2CCN(C)CC2)CCO1 1065305306 GBQZYWIJTWUPLS-OCCSQVGLSA-N 322.409 -0.169 30 20 DBED C[C@@]1(NC(=O)[C@H]2C[C@H]2C(N)=O)CCN(c2cncc(C#N)n2)C1 1065328908 BFWQHGANHUQJGP-JRPNMDOOSA-N 314.349 -0.445 30 20 DBED C#Cc1ccc(C(=O)N2CCO[C@H](CNC(=O)COC)C2)nc1 1065400063 AVBYCULCJRFWOM-CYBMUJFWSA-N 317.345 -0.334 30 20 DBED CCCN(C)CC(=O)N1CCO[C@@H](CNC(=O)[C@H](C)C#N)C1 1065405885 CJVAPXLZAAOJFP-OLZOCXBDSA-N 310.398 -0.169 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)CCCC(N)=O)C1 1065562020 VTRUAAMXTLDIAP-QWRGUYRKSA-N 310.354 -0.855 30 20 DBED NC(=O)NCC(=O)N[C@H]1CCCN(C(=O)C#CC2CC2)CC1 1065824402 KYQPBPXYTROVRF-LBPRGKRZSA-N 306.366 -0.435 30 20 DBED N#Cc1nccc(N2CCOC[C@@H]2CNC(=O)c2ccon2)n1 1066468747 MWPXVXZOXVGBIS-JTQLQIEISA-N 314.305 -0.029 30 20 DBED N#Cc1cncc(N2CCOC[C@H]2CNC(=O)c2cnco2)n1 1066509540 ISUHBMKIINRNEN-LLVKDONJSA-N 314.305 -0.029 30 20 DBED N#Cc1nc(=NC[C@H]2CN(C(=O)c3cn[nH]c3)CCO2)cc[nH]1 1066581062 SULNNOYLMOXDIL-NSHDSACASA-N 313.321 -0.554 30 20 DBED C[C@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1Nc1ncccc1C#N 1067042091 JKSWOCZLXXSZGH-JQWIXIFHSA-N 312.337 -0.101 30 20 DBED COC[C@@H](C)C(=O)N1CC2(CN(C(=O)[C@@H](C)C#N)CCO2)C1 1068450893 APHWGFTVDQKQQS-NWDGAFQWSA-N 309.366 -0.132 30 20 DBED O=C(C#CC1CC1)NC1(CNC(=O)c2nc[nH]n2)CCOCC1 1070112386 XHPZHAKEAAOCTO-UHFFFAOYSA-N 317.349 -0.387 30 20 DBED C=CCCC(=O)NCC1(NC(=O)[C@@H]2CNC(=O)N2)CCOCC1 1070224800 BUQNOAFLQFGGGE-NSHDSACASA-N 324.381 -0.584 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)[C@@H]2CCCN2C)CC1 1070946070 QKVPEOMVJQVBIR-AWEZNQCLSA-N 308.426 -0.083 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)c2cn(C)nc2C)CC1 1070948663 VRUFNFWZDRHOQQ-UHFFFAOYSA-N 317.393 -0.374 30 20 DBED C#CCN1C[C@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)CC[C@H]1C 1071865755 LLUXFZDNGZPMPF-GHMZBOCLSA-N 320.349 -0.991 30 20 DBED C#CCOCCC(=O)N1C[C@H](C)[C@@H](NC(=O)Cn2nccn2)C1 1072101634 QBOSLPHGCFYFKR-STQMWFEESA-N 319.365 -0.719 30 20 DBED C#CCCN1CCO[C@H]2CCN(C(=O)c3nnn(C)n3)C[C@@H]21 1074317232 LZMHIWPOIYHMAS-RYUDHWBXSA-N 304.354 -0.851 30 20 DBED C#CCCN1CCO[C@H]2CCN(C(=O)Cc3nc[nH]n3)C[C@@H]21 1074380758 UCVQCRLUKUPFCW-STQMWFEESA-N 303.366 -0.328 30 20 DBED C=CCOCC(=O)NCC[C@H](C)NC(=O)[C@@H]1COCCO1 1075916820 RXNYGNJHVCHANX-RYUDHWBXSA-N 300.355 -0.385 30 20 DBED C[C@@H](CCNC(=O)C#CC1CC1)NC(=O)CS(C)(=O)=O 1076423782 YCZVDDYACKNLIO-JTQLQIEISA-N 300.380 -0.545 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCN2C2CCOCC2)C1 1077128718 BUJHBDVIHAZZOM-BZUAXINKSA-N 323.437 -0.023 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)c2ccc3nnnn3c2)C1 1077379834 VQLOPAGLIJPKGE-CHWSQXEVSA-N 316.365 -0.135 30 20 DBED Cc1ncc(C(=O)N[C@@H]2CN(CC#N)C[C@H]2O)c(C2CC2)n1 1078103532 NKZXYRKNOCRWDY-CHWSQXEVSA-N 301.350 -0.039 30 20 DBED CCN(C(=O)[C@@H](C)S(C)(=O)=O)C1CN(C(=O)[C@H](C)C#N)C1 1080055519 HBQLWMKFXRXJIL-NXEZZACHSA-N 315.395 -0.362 30 20 DBED CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)COCCN(C)C)C1 1080413262 UPWWNSOJZAWKPX-LBPRGKRZSA-N 310.398 -0.216 30 20 DBED C=CCOCC(=O)NC1(CO)CCN(C(=O)[C@H](C)C#N)CC1 1080773425 OEBPFURPVFIDAW-GFCCVEGCSA-N 309.366 -0.182 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C[C@@H]1O 1081333085 ONOVDGFTWQGFGX-BIGJJFBESA-N 308.378 -0.220 30 20 DBED CCCN(C)CC(=O)N1C[C@@H](O)[C@H](CNC(=O)C#CC(C)C)C1 1081463677 QKKAENAZEXFQTN-HUUCEWRRSA-N 323.437 -0.077 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(C(=O)COCC2CC2)C[C@H]1O 1081468452 KEDSJMWTMOFHPT-LSDHHAIUSA-N 320.389 -0.238 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(C(=O)Cn2cccn2)C[C@@H]1O 1081469694 ZZGOTEUIAIUJTK-KGLIPLIRSA-N 316.361 -0.768 30 20 DBED CC(C)OCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C#CC2CC2)C1 1081472384 XUPMTVMSRLANQD-UONOGXRCSA-N 308.378 -0.240 30 20 DBED C#CCOCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)C2(C)CC2)C1 1081545114 NANVYNCFOAIUDR-CHWSQXEVSA-N 308.378 -0.238 30 20 DBED C=CCOCC(=O)N1C[C@H](CNC(=O)c2cnco2)[C@@H](O)C1 1081623218 INNTZDYPXKKAHL-QWRGUYRKSA-N 309.322 -0.574 30 20 DBED C=CC(C)(C)C(=O)NC[C@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1O 1081640817 RCPVKLJAAUEULX-CMPLNLGQSA-N 321.381 -0.424 30 20 DBED C[C@H](O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1ccc(C#N)[nH]1 1083054446 JVDHCAHEBPIHRB-LEWSCRJBSA-N 304.350 -0.208 30 20 DBED Cc1nn(CC(F)F)cc1C(=O)N[C@@H]1CN(CC#N)C[C@@H]1O 1083549690 VWTQGNMLVBAUMK-MNOVXSKESA-N 313.308 -0.245 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2COCCN2C2CCCC2)C1 1083723071 UBCZVHBSTMLGHC-ILXRZTDVSA-N 322.409 -0.685 30 20 DBED Cc1nn(C)c(C)c1[C@@H](C)C(=O)N[C@@H]1CN(CC#N)C[C@@H]1O 1084121400 HAFOAMMZWSEHQH-WQAKAFBOSA-N 305.382 -0.175 30 20 DBED N#CCN[C@H]1CCCCCN(C(=O)CC[C@@H]2NC(=O)NC2=O)C1 1088422217 KADPBSBFOHXCDV-RYUDHWBXSA-N 321.381 -0.141 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2cccc(C(N)=O)c2)[C@@H](O)C1 1090366376 ZOHJXCZSDGZPBL-KGLIPLIRSA-N 301.346 -0.416 30 20 DBED Cc1nc(N2C[C@@H](O)[C@H](NC(=O)[C@H](O)C(C)C)C2)ccc1C#N 1090408259 OALZCRYZRJYSFT-UMVBOHGHSA-N 318.377 -0.056 30 20 DBED C=CCCN1CC[C@H](NC(=O)c2ccc(=O)n(C)n2)[C@@H](O)C1 1090789812 IXIKAKWOCUGERA-AAEUAGOBSA-N 306.366 -0.479 30 20 DBED COCC(=O)N[C@H]1CCN(c2nc(C)cc(C#N)n2)C[C@H]1O 1092126074 IRXAXKBRSGMUIU-NWDGAFQWSA-N 305.338 -0.641 30 20 DBED C#CCN1C[C@@H](C)[C@H](CNC(=O)c2cnn3c(=O)cc[nH]c23)C1 1093032339 IMXAJKJJPHXISG-VXGBXAGGSA-N 313.361 -0.047 30 20 DBED C[C@@H](CC(=O)N1CCN(c2nccnc2C#N)CC1)NC(N)=O 1093178248 ZYIDCWGCCLCGMO-JTQLQIEISA-N 317.353 -0.556 30 20 DBED CCN1CCO[C@H](C(=O)NCCN=c2cc(C)[nH]cc2C#N)C1 1093655001 XKERUYXXOQRROC-HNNXBMFYSA-N 317.393 -0.068 30 20 DBED N#Cc1ccc(NCCNC(=O)CCCn2ccnn2)nn1 1093929841 GSJSGVCQDJDQSZ-UHFFFAOYSA-N 300.326 -0.052 30 20 DBED C#CCOCCC(=O)NCCCNc1ncc([N+](=O)[O-])c(N)n1 1094593523 BBNYPDIGQJMOGI-UHFFFAOYSA-N 322.325 -0.075 30 20 DBED C[C@]1(C(=O)NCCCNc2nccnc2C#N)CCNC1=O 1094780449 BFEYSVAXYMAFDM-CQSZACIVSA-N 302.338 -0.207 30 20 DBED N#Cc1c[nH]ccc1=NCCCNC(=O)CN1CCCNC1=O 1094885196 MDMQEKWVVIENLG-UHFFFAOYSA-N 316.365 -0.291 30 20 DBED N#Cc1ccc(N2CCCN(C(=O)CNC(N)=O)CC2)cn1 1095163610 APJRXVAZBVAFJK-UHFFFAOYSA-N 302.338 -0.340 30 20 DBED CN(C)C(=O)CC(=O)NC1CCN(c2cnc(C#N)cn2)CC1 1095449698 MJAYRRWOLSSTGI-UHFFFAOYSA-N 316.365 -0.088 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CCN(c2nc(C)cc(C#N)n2)C1 1096312479 WRJBGSIRPJFBLJ-LLVKDONJSA-N 302.338 -0.512 30 20 DBED C=CCOCC(=O)N[C@H]1C[C@H](Nc2nccn3nnnc23)C1 1096994011 SRSBXXRPWPUEJB-MGCOHNPYSA-N 303.326 -0.219 30 20 DBED COCC(=O)N(C)CC(=O)NC[C@@H](C)Nc1ncccc1C#N 1098329894 REAOAHYHQOLFHY-LLVKDONJSA-N 319.365 -0.025 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2CCN(CCOCCO)C[C@@H]2O)[nH]1 1099774785 DQGJOXXECNCICD-JSGCOSHPSA-N 322.365 -0.940 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)CC(C)(F)F)[C@@H](O)C1 1099991125 FZEQBQFONPWUCT-MNOVXSKESA-N 317.336 -0.668 30 20 DBED CN(CCNC(=O)[C@H]1CCCS1(=O)=O)c1nccnc1C#N 1100135638 ZRURRKMKFASINW-LLVKDONJSA-N 323.378 -0.522 30 20 DBED C=CCOCC(=O)NCC1CC(N[C@H]2CCC(=O)NC2=O)C1 1100186994 UWZWNQZFEYBLFX-MCIGGMRASA-N 309.366 -0.521 30 20 DBED COCC#CCNC1CC(CNC(=O)[C@@H]2CCN(C)C2=O)C1 1100587892 YZZCHTGWTYYXIE-RUXDESIVSA-N 307.394 -0.401 30 20 DBED C=CCNC(=O)[C@H](C)NC1CC(CNC(=O)C2(C(N)=O)CC2)C1 1100632684 LHLCTPLISYDYGN-UNXYVOJBSA-N 322.409 -0.573 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)c2cccnn2)C1 1100777256 HJMFNDSWRUHSRN-UHFFFAOYSA-N 301.350 -0.676 30 20 DBED Cc1cc(C#N)nc(N2CCC[C@@H]2CNC(=O)CNC(N)=O)n1 1100779182 CAJYAOFMHGDMBB-LLVKDONJSA-N 317.353 -0.590 30 20 DBED C=CCCCNC1CC(CNC(=O)CS(=O)(=O)NC)C1 1100996252 ONNPNXSWSYLIHY-UHFFFAOYSA-N 303.428 -0.014 30 20 DBED N#Cc1ccc(N(CCNC(=O)[C@@H]2COCCO2)C2CC2)nn1 1101285746 UEGMAWXYEUIXNX-ZDUSSCGKSA-N 317.349 -0.151 30 20 DBED C#CCO[C@H](C)C(=O)N(C)CCNc1nccn2nnnc12 1101781087 CDUMMWAQQNZUKF-SNVBAGLBSA-N 303.326 -0.572 30 20 DBED C#CCN1C[C@@H](C)[C@H](CNC(=O)CN2CCCS2(=O)=O)C1 1102024044 XTFJNPNUTPPVSJ-CHWSQXEVSA-N 313.423 -0.661 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1CNC(=O)Cc1ccc[nH]1 1102589712 BYPCJAFSTUKRFQ-CHWSQXEVSA-N 317.393 -0.119 30 20 DBED C[C@@H](CNC(=O)[C@H]1CN(C)C(=O)N1)CNc1nccnc1C#N 1104177426 VGVRVQLIYFZDSS-MWLCHTKSSA-N 317.353 -0.464 30 20 DBED C#CCNCc1cn(C2CN(C(=O)c3cncnc3C)C2)nn1 1105174303 UZDMRGFNYFDEDI-UHFFFAOYSA-N 311.349 -0.204 30 20 DBED C=CCCNCc1cn(C2CN(C(=O)[C@H](C)CC(N)=O)C2)nn1 1105300710 BIIJPJBIPVBVCF-LLVKDONJSA-N 320.397 -0.161 30 20 DBED N#Cc1cncc(NC[C@@H](O)CNC(=O)C2=COCCO2)n1 1105714816 IIAVSSXRGKBUQR-SNVBAGLBSA-N 305.294 -0.875 30 20 DBED C[C@@H](C(=O)NC[C@@H](O)CNc1cncc(C#N)n1)n1cncn1 1105829648 VWCKJEFSRIRIIO-ONGXEEELSA-N 316.325 -0.910 30 20 DBED Cc1ccc(C#N)c(NC[C@@H](O)CNC(=O)CCNC(N)=O)n1 1105853950 SGCOESUTJLFMFY-NSHDSACASA-N 320.353 -0.791 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)C[C@H]2CCNC2=O)nc1 1106003139 WMIXEMKTNRPSKJ-VXGBXAGGSA-N 317.349 -0.632 30 20 DBED C[C@@]1(C(=O)NC[C@H](O)CNc2ccc(C#N)nc2)CNC(=O)C1 1106028251 PBBJRDXWZNDVTP-DOMZBBRYSA-N 317.349 -0.632 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](C)[C@H](CN[C@H](CC)C(N)=O)C1 1106035828 YUCRZUNYTJCERU-JHJVBQTASA-N 322.409 -0.926 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)[C@]2(F)CCOC2)nn1 1106072184 HOZZYBYCGOLEFE-GWCFXTLKSA-N 309.301 -0.634 30 20 DBED CCC(=O)N[C@H](C)C(=O)NC[C@@H](O)CNc1cnc(C#N)cn1 1106141013 ULJXDAHCAOPCTB-KOLCDFICSA-N 320.353 -0.848 30 20 DBED C=CCN1CC(n2cc(CNC(=O)CC(=O)NCC)nn2)C1 1107161072 WLQQCDFLUYHPCI-UHFFFAOYSA-N 306.370 -0.537 30 20 DBED C#CCN1CC(n2cc(CNC(=O)Cc3ccnn3C)nn2)C1 1107165333 SPUAEYGJDAKDKH-UHFFFAOYSA-N 313.365 -0.640 30 20 DBED CC#CCN1CCO[C@@](C)(CNC(=O)CCNC(=O)NC)C1 1107919759 DOLFFXPTSTYUMI-HNNXBMFYSA-N 310.398 -0.464 30 20 DBED CN1CC[C@H](C(=O)NC[C@@]2(C)CN(CC#N)CCO2)CC1=O 1108031828 HOCPHQVIUZMJKG-WFASDCNBSA-N 308.382 -0.415 30 20 DBED C#CCCN1CCO[C@](C)(CNC(=O)[C@@H]2CCN(C)C2=O)C1 1108147050 XMOIZYLBYRGWTL-XJKSGUPXSA-N 307.394 -0.305 30 20 DBED C[C@]1(CNC(=O)C(N)=O)CN(Cc2ccccc2C#N)CCO1 1108176977 LCFXXOXBGLMBTO-INIZCTEOSA-N 316.361 -0.249 30 20 DBED C=CCOCCN1CC(N2C[C@@H](NC(=O)[C@H](C)C#N)CC2=O)C1 1108528296 VLOCIZZVJYNRQP-OLZOCXBDSA-N 320.393 -0.250 30 20 DBED COCCO[C@H](C)C(=O)N[C@@H](C)CN=c1cc[nH]c(C#N)n1 1108530499 LSFNJVKQRLIRIP-WDEREUQCSA-N 307.354 -0.262 30 20 DBED C=CCOCC(=O)N1C[C@H]2C[C@H](NCC(=O)NC(N)=O)C[C@H]1C2 1108641967 PDMMXUAWMAJJBE-SDDRHHMPSA-N 324.381 -0.647 30 20 DBED CN(C)S(=O)(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC#N 1111336913 CGLLWQNRGCYNIF-MXWKQRLJSA-N 300.384 -0.877 30 20 DBED Cc1c[nH]c(C(=O)N(CCO)CCN=c2cc[nH]c(C#N)n2)n1 1111574984 CANDJKPDMIMMNJ-UHFFFAOYSA-N 315.337 -0.652 30 20 DBED CC(C)[C@@H](O)C(=O)NC[C@H]1COCCN1c1cnc(C#N)cn1 1111683125 ISYCIHUUHVYSNZ-GXTWGEPZSA-N 319.365 -0.313 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CCN(c2cncc(C#N)n2)C[C@H]1C 1112387861 LOMNTNPPYVDCLF-ZWNOBZJWSA-N 316.365 -0.185 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 1112987801 YMHBLFDLHMTICJ-CABCVRRESA-N 322.453 -0.145 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3ccoc3C)[C@H]2C1 1113831564 PKDFZXMZHVUYEE-STQMWFEESA-N 301.346 -0.003 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)c3cc(C#N)c[nH]3)[C@H]2C1 1114103144 GKZGTSMXBFNVEW-RYUDHWBXSA-N 313.361 -0.151 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@H]2CN(CCOC(C)C)C[C@H]12 1114170815 XUSDYMHXJHACIU-STQMWFEESA-N 307.394 -0.403 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)CC(C)(C)O)[C@@H]2C1 1114212503 KIRNCUZTTAQFBC-QJPTWQEYSA-N 309.410 -0.116 30 20 DBED CCO[C@H](C(=O)NC1[C@H]2CN(CC(=O)NCC#N)C[C@H]12)C1CC1 1114291522 ZTJLSPURLGHVGG-HUBLWGQQSA-N 320.393 -0.512 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)c3cccc(=O)n3C)[C@@H]2C1 1114815657 YJQMDTGDOYNLRG-CHWSQXEVSA-N 315.373 -0.305 30 20 DBED C[C@H](CCCN=c1cc[nH]c(C#N)n1)NC(=O)c1cn(C)nn1 1114920098 HPUCPFCWQGHXQY-SNVBAGLBSA-N 314.353 -0.091 30 20 DBED C=CCO[C@H](C)C(=O)NC1[C@H]2CN(Cc3nc(O)n[nH]3)C[C@H]12 1115333167 UEZLJUUJFRBPAH-UTLUCORTSA-N 307.354 -0.352 30 20 DBED C=CCO[C@H](C)C(=O)NC1[C@@H]2CN(Cc3cn(C)nn3)C[C@@H]12 1115333261 VMJMNFYVZXZBEE-RAIGVLPGSA-N 305.382 -0.047 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CC[C@](O)(CC)C2)C1=O 1117963222 NUAGQIPDCFEOOZ-BLLLJJGKSA-N 323.393 -0.395 30 20 DBED C=CCn1cc(CNC(=O)N2CCO[C@@H](C(=O)NC)C2)nn1 1118165861 FQQGEMNIASRBMG-LLVKDONJSA-N 308.342 -0.880 30 20 DBED C=CCn1c([C@@H](O)COC)nnc1N1CC(=O)N(C)C[C@@H]1C 1121732923 SOENDEKYZPXOMI-QWRGUYRKSA-N 309.370 -0.189 30 20 DBED CCCN(C)CCC(=O)NC[C@@H](CO)Nc1nccnc1C#N 1121840380 SEBNYBQLPCFPBE-LBPRGKRZSA-N 320.397 -0.031 30 20 DBED Cn1cncc1C(=O)NC[C@@H](CO)Nc1ncccc1C#N 1122219540 XUOZPYHYDIEFQF-NSHDSACASA-N 300.322 -0.110 30 20 DBED CCNC(=O)CC(=O)N(C)C[C@@H](O)CNc1cncc(C#N)n1 1124315564 XOJDHRXRZVUDMA-NSHDSACASA-N 320.353 -0.894 30 20 DBED C#CCOCCC(=O)N(C)C[C@H](O)CNc1nccnc1F 1124519215 JGLHZQONWBKJAJ-LLVKDONJSA-N 310.329 -0.113 30 20 DBED CN(C)CCC(=O)N[C@@H]1CCc2nnc(CNCC#N)n2CC1 1128032636 JFOBXOJQSCRTIS-GFCCVEGCSA-N 319.413 -0.336 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)CNC(=O)CCC)C1 1128786556 YNOYWTJVPJIRSF-OLZOCXBDSA-N 318.381 -0.831 30 20 DBED C#CCC1(C(=O)NCCNC[C@@H](O)COCCOC)CCC1 1129125647 ZJQJJXVTXWMWAT-CQSZACIVSA-N 312.410 -0.090 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@@H](C)OCCOC)C[C@@H]1n1ccnn1 1130026571 UWNLEKZSOSZXHQ-MCIONIFRSA-N 321.381 -0.696 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cc(C2CC2)nn1CC 1130061660 QXUKTHKXQVHLQQ-UHFFFAOYSA-N 317.393 -0.151 30 20 DBED COC[C@H](C)C(=O)NCc1nc([C@@H]2COCCN2CC#N)n[nH]1 1130834644 DCKDRZFRMLVMHU-QWRGUYRKSA-N 322.369 -0.400 30 20 DBED C[C@H]1CCN(C(=O)c2cc[nH]n2)C[C@H]1CNCC(=O)NCC#N 1132654980 GFMWOXHYEMVTQC-NWDGAFQWSA-N 318.381 -0.263 30 20 DBED C[C@H]1CCN(C(=O)CN2CCN(C)C(=O)C2)C[C@@H]1CNCC#N 1132934156 ZTZSLFXLCRLURI-KBPBESRZSA-N 321.425 -0.642 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CCCc2nn[nH]c21 1132997781 LOCIHJYJMDYUGI-MNOVXSKESA-N 320.397 -0.379 30 20 DBED CC#CCN[C@H](C)C[C@H](C)NC(=O)CCNS(C)(=O)=O 1134509591 VMAMORQZSIMMRS-NEPJUHHUSA-N 303.428 -0.178 30 20 DBED N#CCNC(=O)CNCCNC(=O)[C@@H]1CCC[C@H]2CCCN21 1135093143 ITYIUGGQCGIYBG-STQMWFEESA-N 307.398 -0.651 30 20 DBED C=C(Cl)CNCCNC(=O)CN1C(=O)NC(=O)C1(C)C 1146660823 IZNKRNTVXVPOGR-UHFFFAOYSA-N 302.762 -0.225 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN([C@@H]2CCNC2=O)CCCO1 1149694063 HNHJUFAPOLLRBM-ZIAGYGMSSA-N 305.378 -0.505 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)CNC(=O)[C@H](C)CC)C1 1150732065 XVWOVUZZIQTWEV-KGLIPLIRSA-N 309.410 -0.011 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)CNC(=O)CC(C)(C)C 1151476644 NFPNFSKRJYLFPF-LBPRGKRZSA-N 324.425 -0.618 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)c1c(C)cnn1C 1154688927 NAQLVWMMVKWKOY-GFCCVEGCSA-N 320.397 -0.192 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)[C@]1(C)CCC(=O)N1 1155126275 KIBUZKRFYXUVSM-ABAIWWIYSA-N 323.397 -0.879 30 20 DBED CNC(=O)Cc1noc(CNCCCNC(=O)[C@H](C)C#N)n1 1155847935 DWKAVUOPWGXMKT-SECBINFHSA-N 308.342 -0.886 30 20 DBED C#CCN(C)C[C@H]1CCCCN1C(=O)[C@@H](C)NS(C)(=O)=O 1158522190 PLRCSRAHIRZKAD-CHWSQXEVSA-N 315.439 -0.130 30 20 DBED COCC1(CNC(=O)Cn2ncnn2)CCN(CC#N)CC1 1162275599 ZMTFMAWRQXFRKS-UHFFFAOYSA-N 307.358 -0.959 30 20 DBED C#CCN1CCC(CNC(=O)[C@H](C)CC(N)=O)(COC)CC1 1162400838 JJEHNHGRAGIQCR-CYBMUJFWSA-N 309.410 -0.024 30 20 DBED C#CCCNCC1(CCNC(=O)CCNS(C)(=O)=O)CC1 1165291138 BCEZUFQGRKOQNG-UHFFFAOYSA-N 315.439 -0.175 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)[C@@H]1CCCCC(=O)N1 1166463215 UAFVURNYRRXRNS-STQMWFEESA-N 322.409 -0.721 30 20 DBED C#CCNCCCC[C@@H](C)NC(=O)c1cnc(O)n(C)c1=O 1174624398 RNDBITGALNCXIU-LLVKDONJSA-N 306.366 -0.003 30 20 DBED C#CCN1CCC(C(=O)NCCCNCc2nc(O)n[nH]2)CC1 1176926131 HEDOIPXFMHAAOI-UHFFFAOYSA-N 320.397 -0.549 30 20 DBED COCCCOCC(=O)N1CC[C@@H]2OCCN(CC#N)[C@H]2C1 1177131324 MVZZURQHLQBBPR-KBPBESRZSA-N 311.382 -0.135 30 20 DBED C=CCCN[C@H]1CCN(C(=O)CNC(=O)CNC(C)=O)[C@H]1C 1179018739 FVSWFAMLPBQDNC-AAEUAGOBSA-N 310.398 -0.606 30 20 DBED C=CCCC(=O)N1CC[C@@H](NCC(=O)N[C@@H](C)C(=O)N(C)C)C1 1181543128 MHOCXBNUFYLODN-QWHCGFSZSA-N 324.425 -0.264 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 1182067579 OHBYQUKSCJDZAX-DGCLKSJQSA-N 313.361 -0.172 30 20 DBED CNC(=O)NC(=O)[C@H](C)N[C@@H]1CCN(C(=O)C#CC(C)C)C1 1182407240 VZGILIVCWDUCNM-NWDGAFQWSA-N 308.382 -0.320 30 20 DBED CC#CCNC[C@H]1CCN(C(=O)CN2CCNC(=O)C2)C[C@H]1C 1184933372 KAWWDJHEXHJLTN-HUUCEWRRSA-N 320.437 -0.484 30 20 DBED C#Cc1cncc(C(=O)N2CC[C@@H](NCC(=O)NC(N)=O)C2)c1 1185558332 WNKXCHSZCUSVSY-GFCCVEGCSA-N 315.333 -0.938 30 20 DBED C=C(C)CCN[C@@H]1CCN(C(=O)CNS(=O)(=O)N(C)C)C1 1185976790 GDHXFCQQJMREFU-GFCCVEGCSA-N 318.443 -0.461 30 20 DBED N#CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3cccnc3)[C@@H]2C1 1186668599 GVBQVIDMEKBJGN-UONOGXRCSA-N 313.361 -0.132 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)C[C@H]2CCNC2=O)C1 1190622170 NWTGKZUBQSCLQY-CHWSQXEVSA-N 322.409 -0.653 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)COCC=C)C1 1191756115 RNMUGISNHHNLEH-YNEHKIRRSA-N 311.382 -0.959 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(Cc2ncc(C)cn2)C[C@H]1O 1191772265 YGIUXCRCOREKOW-CHWSQXEVSA-N 306.366 -0.351 30 20 DBED C=CCC[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)Cn2cnnc2O)C1 1192321397 YTSSKKPPPWXFML-IJLUTSLNSA-N 309.370 -0.500 30 20 DBED C=C(C)CCN(C)[C@@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 1194255075 GHECFKWXMZGAJR-GFCCVEGCSA-N 320.397 -0.124 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2nonc2C)C1 1194470451 DMLDGNYBYDHYAW-LLVKDONJSA-N 307.354 -0.173 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)C2(C(=O)NC)CC2)CCCO1 1201648313 HOEKWYNQMUCWGQ-CYBMUJFWSA-N 307.394 -0.257 30 20 DBED Cn1nnnc1CNCC1CCN(C(=O)CSCC#N)CC1 1204560581 LXYSVCAUAXIBIR-UHFFFAOYSA-N 323.426 -0.205 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)c2cn(C)cn2)[C@H](C)C1 1206870599 DIDIQWKNLFYZBU-FRRDWIJNSA-N 317.393 -0.392 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)[C@H]2CCNC(=O)C2)[C@H](C)C1 1206870666 HCKJKRIESQYAHX-FRRDWIJNSA-N 322.409 -0.749 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCC[C@@H](NCC(=O)NCC#N)C1 1207951723 WNNXYXCMFXPVEH-DOMZBBRYSA-N 308.382 -0.466 30 20 DBED CC(C)C#CC(=O)N1CCC[C@@H](N[C@@H](C)C(=O)NC(N)=O)C1 1207989382 MEZSHBYHLFTRFE-NWDGAFQWSA-N 308.382 -0.190 30 20 DBED Cn1cncc1C(=O)N1CCC[C@@H](NCC(=O)NCC#N)C1 1208505278 SZACMXXLIPQADU-LLVKDONJSA-N 304.354 -0.746 30 20 DBED C=C(C)CCN[C@H]1CCCN(C(=O)CNS(=O)(=O)NC)C1 1208759215 RVMIRDQULLGFRN-LBPRGKRZSA-N 318.443 -0.413 30 20 DBED CC#CCN[C@@H]1CCCN(C(=O)C2CC3(C2)NC(=O)NC3=O)C1 1210060070 AODUBNHJPNQLND-BWBHSNQOSA-N 318.377 -0.422 30 20 DBED CO[C@@H]1CN(Cc2nnn(C)n2)C[C@H]1NC(=O)C#CC(C)(C)C 1212253554 GNURIAVYGUCOSE-VXGBXAGGSA-N 320.397 -0.425 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)c2ccns2)[C@H](OC)C1 1212344782 LZSHQHCCAMNLEP-GHMZBOCLSA-N 324.406 -0.126 30 20 DBED COCC#CCN1C[C@@H](NC(=O)[C@H]2CCN(C)C2)[C@H](OC)C1 1213856946 AAIABTCMPAQXLW-RRFJBIMHSA-N 309.410 -0.597 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2cnnn2C)C[C@H]1OC 1213965804 DAHDBUACCAAQST-IACUBPJLSA-N 323.397 -0.278 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CN(C)CCO2)C[C@H]1C 1214388992 OSMUORHVYRGXRZ-MGPQQGTHSA-N 324.425 -0.944 30 20 DBED C=CCOCC(=O)N1CCO[C@@H]2CN(Cc3cn(C)nn3)C[C@@H]21 1217533630 YVKFTDGTVNKQSY-UONOGXRCSA-N 321.381 -0.571 30 20 DBED CCCS(=O)(=O)CC(=O)N1CCO[C@@H]2CN(CC#N)C[C@@H]21 1219039753 ZYJCZUOCMWBNGA-NWDGAFQWSA-N 315.395 -0.754 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CN(CCCO[C@@H]2CCOC2)C[C@@H]1O 1219594555 QGJQOUAIIOMKRI-OAGGEKHMSA-N 322.405 -0.243 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)Cn2cncc2C)C1 1220011519 VFBJMNOLYDVRKI-KGLIPLIRSA-N 308.382 -0.445 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3cocn3)[C@@H]2C1 1221433088 UNWGSEDUQRQXPC-DGCLKSJQSA-N 302.334 -0.430 30 20 DBED COCC#CCN1CC[C@@H]2CN(C(=O)c3cnnn3C)[C@@H]2C1 1221519119 AISFDDKRINPWHJ-TZMCWYRMSA-N 303.366 -0.389 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)[C@@H](CC)N(C)C)[C@@H]2C1 1221641228 DDQPKQGQLYNDFF-RBSFLKMASA-N 320.437 -0.391 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CCN(C(=O)CC(C)(C)O)C[C@@H]21 1222598512 MZQAYLZQUZSGET-KGLIPLIRSA-N 321.421 -0.180 30 20 DBED COCC#CCN1CCC(CNC(=O)[C@@H]2COCCN2C)CC1 1222849834 ASMKGCFZTZALLM-INIZCTEOSA-N 323.437 -0.205 30 20 DBED C=CCOCCN1CCC(NC(=O)C2CS(=O)(=O)C2)CC1 1227503489 AHGKVEPPVSCYMH-UHFFFAOYSA-N 316.423 -0.186 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@H]1CN(C)C(=O)CC(=O)NCC 1233837075 LSRKVPFUAHSNES-OLZOCXBDSA-N 322.409 -0.817 30 20 DBED C#CCOCCC(=O)N(C)C[C@@H]1CCN1CCS(C)(=O)=O 1234254695 CAXDQXXDZZMBAL-ZDUSSCGKSA-N 316.423 -0.396 30 20 DBED C#C[C@@H](C)N(C)c1nnc(CCN(C)S(N)(=O)=O)n1CC 1263025115 UFWRYSFDGGFKMW-SNVBAGLBSA-N 314.415 -0.566 30 20 DBED C[C@@H]1c2nncn2CCN1C(=O)C(=O)N[C@@H]1CC[C@H](C#N)C1 1326718460 LAFVWPJNPLXOGJ-OUAUKWLOSA-N 302.338 -0.010 30 20 DBED COC(=O)C1CCN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)CC1 1327022889 SOPRFWABGKNDKW-HNNXBMFYSA-N 323.349 -0.725 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)N2CCCC3(C2)OCCO3)C1 1327024709 PGFMMIDXQDKHMU-AWEZNQCLSA-N 323.349 -0.771 30 20 DBED C=CCS(=O)(=O)CCN1C(=O)N[C@@H](C2CCOCC2)C1=O 1335227494 GYUQIDYXKJDFSP-NSHDSACASA-N 316.379 -0.066 30 20 DBED C=C(C)COCCn1nnnc1N1CCO[C@@H](CNC(C)=O)C1 1335565691 YRJWUKGOHZPJMK-ZDUSSCGKSA-N 324.385 -0.393 30 20 DBED N#C[C@@H]1CCCN(C(=O)C(=O)N(CCO)C2CCOCC2)C1 1338061395 HJYIKUGZOWDYMI-LBPRGKRZSA-N 309.366 -0.252 30 20 DBED C=CCN(C(=O)C(=O)N1CC[C@H](O)[C@H](CO)C1)[C@H](C)COC 1347005284 ZTXMNWOWKLIVOR-AGIUHOORSA-N 314.382 -0.762 30 20 DBED COC[C@@](C)(C#N)NC(=O)c1oc(S(N)(=O)=O)cc1C 1347679113 RAAYRYPGYOUPQG-LLVKDONJSA-N 301.324 -0.106 30 20 DBED CN1CC[C@@H]2CN(C(=O)Cn3cc(C#N)c(O)nc3=O)C[C@@H]2C1 1362888910 LUGRKJORMVYAEF-PWSUYJOCSA-N 317.349 -0.769 30 20 DBED CNS(=O)(=O)N1CCC(C(=O)Nc2n[nH]cc2C#N)CC1 1363434849 OHLWDQAPFSHHIG-UHFFFAOYSA-N 312.355 -0.604 30 20 DBED COCCN(CCNC(=O)c1cnns1)C(=O)[C@H](C)C#N 1383305067 RZOVWCKVNMRUDR-SECBINFHSA-N 311.367 -0.097 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)C[C@@H]2CCC(=O)NC2)C1 1385938807 DPJLNMCVGHJJJS-WRWGMCAJSA-N 306.366 -0.174 30 20 DBED Cc1nc(CC(=O)NC[C@H](O)CNC(=O)[C@H](C)C#N)cs1 1399859957 FHDVIROLVQHLRP-KCJUWKMLSA-N 310.379 -0.253 30 20 DBED N#CCC(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 1411803916 PPFMSVNKGVDMCU-UHFFFAOYSA-N 315.395 -0.011 30 20 DBED N#Cc1c(NC(=O)CN2CCC(=O)NC2=O)nc2n1CCS2 1411959044 LJAMYRHQOSBXLC-UHFFFAOYSA-N 320.334 -0.259 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1C[C@@H](NCC(=O)NC[C@@H]2CCCO2)C1 1418615678 NQNPGAQBSXZSJJ-FQUUOJAGSA-N 322.409 -0.074 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1cnc2n1CCC2 1433312422 GXMJDXPLQKYMKQ-ZJUUUORDSA-N 305.338 -0.804 30 20 DBED C[C@@H](CC(N)=O)C(=O)N1CCC2(C1)CN(C(=O)[C@H](C)C#N)C2 1512322633 WHMNWEVQTQPHJG-WDEREUQCSA-N 306.366 -0.282 30 20 DBED N#Cc1ncc(NC[C@@H]2CCS(=O)(=O)C2)nc1-c1nn[nH]n1 1570922406 INGFEPNZWNNFOE-ZETCQYMHSA-N 320.338 -0.625 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)[C@@H](C)OCc2cnn[nH]2)CC1 1575176921 IVVVCAHBYBIDCQ-NXEZZACHSA-N 320.353 -0.366 30 20 DBED CCN(C)C(=O)[C@@H](C)Nc1cnc(-c2nn[nH]n2)c(C#N)n1 1577844197 FGVOWGRTKQMJAO-SSDOTTSWSA-N 301.314 -0.193 30 20 DBED N#C[C@H]1CNCC12CC(C(=O)NCCN1C(=O)CCC1=O)C2 1580043023 GTJAWMLIDAHQKE-VTWZXRTESA-N 304.350 -0.609 30 20 DBED N#Cc1cccc([C@@H](O)CN2CCNC(=O)CC23CNC3)c1 1580075987 MOZJKVHMYQOIHZ-AWEZNQCLSA-N 300.362 -0.244 30 20 DBED C#C[C@@H](CO)NS(=O)(=O)c1ccc(OC)cc1CC(=O)O 1588370373 BHKDXUBYDHGLDC-JTQLQIEISA-N 313.331 -0.405 30 20 DBED C=CCOC[C@H](NC(=O)N1CCS(=O)(=O)CC1)C(=O)O 1588857454 ZFVTVKUENIDVDN-VIFPVBQESA-N 306.340 -0.918 30 20 DBED O=S(=O)(O[C@H]1CNOC1)c1cc(F)cc(-c2nn[nH]n2)c1 1593447104 KJAZBLHOHXFMDC-QMMMGPOBSA-N 315.286 -0.386 30 20 DBED COC[C@@]1(C(=O)O)CCN(C(=O)C(=O)N2CCC[C@H](C#N)C2)C1 1593958693 IJQOQBNQEKTAST-IAQYHMDHSA-N 323.349 -0.302 30 20 DBED C[C@@H]1[C@H](C(=O)O)CCN1C(=O)C(=O)N1CCN(CCC#N)CC1 1594140817 ZLEBUCVZZVVLOU-VXGBXAGGSA-N 322.365 -0.634 30 20 DBED CN1CCN(S(=O)(=O)c2ccc(C#N)o2)C[C@H](C(=O)O)C1 1598621395 PNMJNUKNAGUYKG-SECBINFHSA-N 313.335 -0.212 30 20 DBED COC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2CC[C@H]1N2CC(=O)NCCC#N 1598743196 YGIDWHADEGHKNO-PKZYVASSSA-N 309.322 -0.647 30 20 DBED CC1(C)C[C@]1(C(=O)O)C(=O)NCCn1cc(C#N)c(O)nc1=O 1603321485 SCWGYBOFHPVQFS-CQSZACIVSA-N 320.305 -0.562 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC(OCC(N)=O)CC1 1645764068 CCMGIVPTPNQCNT-JTQLQIEISA-N 318.399 -0.569 30 20 DBED CNS(=O)(=O)CCC(=O)N(C)C1CCN(CC#N)CC1 1752299408 GEMVIFNRNBHBQB-UHFFFAOYSA-N 302.400 -0.628 30 20 DBED CCC[C@H](C(=O)N1CC[C@@H](CNCC#N)C1)S(N)(=O)=O 1752944966 CPRLDJQSGRBUEC-WDEREUQCSA-N 302.400 -0.595 30 20 DBED C=CCNC(=O)NC(=O)CN(C)CCNC(=O)C1=COCCC1 1753045319 NZDAQQCZVDMVFR-UHFFFAOYSA-N 324.381 -0.260 30 20 DBED C#CCNC(=O)[C@H](C)NCCN(C)C(=O)Cc1nnc(C)o1 1753185748 YEVPPDHOJHAJSF-JTQLQIEISA-N 307.354 -0.894 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC(CNC(=O)c2cnccn2)C1 1753396019 BNLAHRNCHSTVLR-LLVKDONJSA-N 303.366 -0.171 30 20 DBED COc1cnc(C(=O)NC[C@H](C)CNCC(=O)NCC#N)nc1 1753623797 KLCNOIAGEKULHX-SNVBAGLBSA-N 320.353 -0.920 30 20 DBED COCC#CCNC[C@H](C)N(C)C(=O)c1ccc(C(N)=O)cn1 1753728063 OUAQCCOQTGUBAW-LBPRGKRZSA-N 318.377 -0.120 30 20 DBED CC(C)[C@H](CNC(=O)c1cc[n+]([O-])cc1)NCC(=O)NCC#N 1753822491 KCAGUJWSMDEKAX-ZDUSSCGKSA-N 319.365 -0.696 30 20 DBED C=C(C)CCNC[C@H](C)NC(=O)Cn1ncn2nccc2c1=O 1754285684 HLWYOEKLBXQHSK-LBPRGKRZSA-N 318.381 -0.049 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@H]1CNC(=O)Cc1cc[nH]n1 1754476734 BPDAUKXHUHSLGW-AAEUAGOBSA-N 303.366 -0.719 30 20 DBED COCC#CCN1CC[C@@H]1CNC(=O)c1cc(OC)n(C)n1 1754489387 WTDDSMAGBMHEHZ-GFCCVEGCSA-N 306.366 -0.117 30 20 DBED C#CCNC(=O)CNC1(CNC(=O)CCc2cncnc2)CC1 1754520134 GFQNYMWLCCZIPR-UHFFFAOYSA-N 315.377 -0.603 30 20 DBED C#CCNC(=O)CNC1(CNC(=O)Cc2c(C)noc2C)CC1 1754532656 IDZPYPDDGFXYJG-UHFFFAOYSA-N 318.377 -0.178 30 20 DBED C#CCNC(=O)CN1CC(N(C)C(=O)c2cc(CCC)[nH]n2)C1 1754579337 MGLSWMRXEFAINA-UHFFFAOYSA-N 317.393 -0.132 30 20 DBED C=CCCOCC(=O)N[C@]1(C)CCN([C@H]2CCC(=O)NC2=O)C1 1754684973 BKQGZCKMMGZULL-BLLLJJGKSA-N 323.393 -0.035 30 20 DBED C#CCNC(=O)CN1CC(O)(CNC(=O)C=C2CCCCC2)C1 1754765600 QCUQERSSZKKMQM-UHFFFAOYSA-N 319.405 -0.211 30 20 DBED C#CCCN[C@H](C)[C@@H]1CCN(C(=O)CN2C(=O)CCC2=O)C1 1754808250 ZOXWUPSUNMHKCV-CHWSQXEVSA-N 305.378 -0.015 30 20 DBED C[C@@H](C(N)=O)N1CC2(CC[C@H](CNC(=O)C#CC3CC3)O2)C1 1755054509 PAVMPIGIBKLUJN-WCQYABFASA-N 305.378 -0.377 30 20 DBED O=C(C#CC1CC1)N[C@@H]1COC2(C1)CN(Cc1cnon1)C2 1755061018 DKPPINPATJFTIV-LBPRGKRZSA-N 302.334 -0.058 30 20 DBED N#CCNCC1(NC(=O)CCN2CCCC2=O)CCOCC1 1755100181 JIBJQXRMGOQDNC-UHFFFAOYSA-N 308.382 -0.223 30 20 DBED C#CCNC(=O)CN[C@H]1CN(C(=O)c2cnn(C)c2)C[C@@H]1C 1755103811 SSDNUQQQPPIHME-AAEUAGOBSA-N 303.366 -0.780 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC(CCO)(NC(=O)C2(C)CC2)C1 1755334011 RIRRGAUUNMVAMO-GFCCVEGCSA-N 307.394 -0.523 30 20 DBED N#Cc1ccc(C(=O)NCCOCCCN[C@H]2CCNC2=O)[nH]1 1755553262 PGMXIBVDDHZZDG-LBPRGKRZSA-N 319.365 -0.499 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@H](CO)CNC(=O)c1cc(C)ncn1 1755626055 YGVYEZDNPHDFCB-NEPJUHHUSA-N 321.381 -0.844 30 20 DBED C[C@H]1C[C@@H](NCCS(C)(=O)=O)CN1C(=O)CSCC#N 1755668689 GPFRYGGJOAWVKN-WDEREUQCSA-N 319.452 -0.133 30 20 DBED CC#CCNCCOCCN(C)C(=O)c1cccc(C(N)=O)n1 1755878347 LTMQSRCMRGYFSX-UHFFFAOYSA-N 318.377 -0.118 30 20 DBED C#CCNC(=O)CC(=O)N1CC([C@@H](C)NC(=O)c2cc[nH]n2)C1 1756132927 VWLIGBSPIRMRSA-SNVBAGLBSA-N 317.349 -0.874 30 20 DBED C=CCOCC(=O)N1C[C@H](NC(=O)c2cnn[nH]2)C(C)(C)C1 1756184460 UALONCLWPLSGMG-NSHDSACASA-N 307.354 -0.026 30 20 DBED C=CC(C)(C)C(=O)NC[C@@H](CO)NC(=O)[C@@H]1CCC(=O)N1C 1756540435 MNRREYAGIHRSPU-QWRGUYRKSA-N 311.382 -0.587 30 20 DBED CCn1cc(C(=O)NC[C@H](O)CN(C)C(=O)C#CC(C)C)nn1 1756663236 STQCZAHGMXVVQZ-LBPRGKRZSA-N 321.381 -0.494 30 20 DBED C=C(C)CCC(=O)NC[C@@H](O)CN(C)C(=O)C(C)(C)C(N)=O 1756666620 COULHRXHJZRYTD-LLVKDONJSA-N 313.398 -0.210 30 20 DBED N#CCSCC(=O)NCC1=CCN(C(=O)CC(N)=O)CC1 1756757930 SLECJAHZHXOLER-UHFFFAOYSA-N 310.379 -0.607 30 20 DBED COCCc1nnc(S)n1N=Cc1cn(CC(=O)O)nn1 1776112054 RDEWNTONQWUJPA-UHFFFAOYSA-N 311.327 -0.686 30 20 DBED CC[C@@H](C)[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC#N 1795078686 KZVYZHNBWLEREU-GGUBGCTKSA-N 323.393 -0.103 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)OC 1795134747 SAIMIIZPKHOUFO-QHBPRCKVSA-N 308.334 -0.838 30 20 DBED C#CC(=O)N1CCC([C@@H]2CCCCN2C(=O)CNC(=N)N)CC1 1826832766 UYYKZMMXLAIXIK-ZDUSSCGKSA-N 319.409 -0.278 30 20 DBED C#CCNC(=O)CNS(=O)(=O)c1ccc(OC)c(OC)c1 61205082 IVVNSEMKMVKCAA-UHFFFAOYSA-N 312.347 -0.269 30 20 DBED C#CCNC(=O)CN1CCN([C@@H](C(N)=O)c2ccccc2)CC1 73893597 AVCAWNXPXIKWMO-MRXNPFEDSA-N 314.389 -0.420 30 20 DBED O=C(C#Cc1ccccc1)NCCN1CCS(=O)(=O)CC1 81590231 LNJMHCVRNOKEPC-UHFFFAOYSA-N 306.387 -0.115 30 20 DBED NC(N)=NCc1ccccc1CS(=O)(=O)N1CCOCC1 161502769 WTBRIHOSDZBMFS-UHFFFAOYSA-N 312.395 -0.378 30 20 DBED Cc1nc(S(=O)(=O)NCCC(=O)NC[C@@H](C)C#N)cn1C 171845177 HWRLDYVYOXIJQX-VIFPVBQESA-N 313.383 -0.327 30 20 DBED N#Cc1ccc(OCC(=O)N2CCN(S(N)(=O)=O)CC2)cc1 264651562 GORPGCLBQURIOL-UHFFFAOYSA-N 324.362 -0.715 30 20 DBED N#CCN(C(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)C1CC1 266296494 RUVGAOLSLVBULR-AAXDQBDMSA-N 303.318 -0.337 30 20 DBED C=CCNC(=O)C(=O)N1CCc2ccc(S(=O)(=O)NC)cc21 266576890 QIQIEFAZSVIDSP-UHFFFAOYSA-N 323.374 -0.214 30 20 DBED C#CCN(CC#N)C(=O)C1=CC=CN2CCS(=O)(=O)N=C12 281616294 XMXKVISLQGDPKS-UHFFFAOYSA-N 304.331 -0.531 30 20 DBED N#Cc1ccc(S(=O)(=O)CCN2CCO[C@H](C#N)C2)nc1 290154872 CVXLZYQJUSFQHK-GFCCVEGCSA-N 306.347 -0.049 30 20 DBED N#Cc1ncccc1S(=O)(=O)N1CCC[C@H]2C(=O)NC[C@H]21 300185769 BSNHPWYPNOYUNO-MWLCHTKSSA-N 306.347 -0.148 30 20 DBED N#Cc1ccc([N+](=O)[O-])c(N2CCN3C(=O)C(=O)NC[C@H]3C2)c1 302216593 PIWYREWQRZADQR-JTQLQIEISA-N 315.289 -0.387 30 20 DBED COC(=O)[C@H]1C[C@H](O)CN1CC(=O)NC1(C#N)CCCCC1 317544041 SHJWWYFSUAJMSZ-NWDGAFQWSA-N 309.366 -0.063 30 20 DBED CS(=O)(=O)N1CCC[C@H](/N=C(/O)N2CCN=C(O)CC2)C1 329123439 RSWCPCNDPKIFQM-JTQLQIEISA-N 318.399 -0.013 30 20 DBED CN1C[C@H](/N=C(/O)N2CC[C@H](N/C(O)=N/C3CC3)C2)CC1=O 329560737 IYMJWHSGBJCFDD-WDEREUQCSA-N 309.370 -0.129 30 20 DBED CN1CN(/C(O)=N/C[C@H]2CCCN2S(C)(=O)=O)CC1=O 329638016 VXRLBYRKLQGOGS-SECBINFHSA-N 304.372 -0.944 30 20 DBED CCS(=O)(=O)N1CC(C/N=C(/O)N2C[C@@H](C)[C@H](CO)C2)C1 330035304 BRLZBSVMVHLZKW-PWSUYJOCSA-N 319.427 -0.258 30 20 DBED C=CCN(C(=O)CN1CCCC1=O)[C@@H]1CCS(=O)(=O)C1 330478539 YBBDELCBMCXTMH-LLVKDONJSA-N 300.380 -0.190 30 20 DBED C[C@H](C(=O)N(C)CCC#N)N1CCC[C@H](S(N)(=O)=O)C1 330851044 QIGJXLRMSUCHJO-MNOVXSKESA-N 302.400 -0.500 30 20 DBED CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)N(C)C[C@@H](C)C#N 336916618 NIJAEPLNAYTCOR-QWRGUYRKSA-N 323.440 -0.168 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CSC[C@H]1C(=O)N(C)C 337080981 WCBZBYUSHROCFA-JTQLQIEISA-N 320.440 -0.070 30 20 DBED C=CCNC(=O)NC(=O)Cn1c(-c2cnccn2)noc1=O 338398564 AWKRKWPAUPJYJD-UHFFFAOYSA-N 304.266 -0.695 30 20 DBED N#CCCCNS(=O)(=O)c1cccc(S(N)(=O)=O)c1 344099753 STRNKFZPFYXCHG-UHFFFAOYSA-N 303.365 -0.084 30 20 DBED C=CCCO[C@@H](C)C(=O)NCC(=O)NCCN1CCOCC1 346567609 GNWRKPQFTMKLTB-ZDUSSCGKSA-N 313.398 -0.468 30 20 DBED C=CCOC[C@@H]1NC(=O)N(c2ccn(CC(=O)N(C)C)n2)C1=O 348752916 XDKXHLABTMVLGY-JTQLQIEISA-N 321.337 -0.401 30 20 DBED C=C[C@H](CO)NC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 356856921 QQDUZWPXWSSMMV-GFCCVEGCSA-N 323.374 -0.158 30 20 DBED Cc1ccc(C(N)=O)cc1NC(=O)C(=O)N1CCO[C@H](C#N)C1 358424091 HVMCZRAUPFNZDL-LLVKDONJSA-N 316.317 -0.217 30 20 DBED N#Cc1ccc(NC(=O)C(=O)NCC(=O)NCCO)cc1Cl 439250152 ULUNGAGKTSZDDJ-UHFFFAOYSA-N 324.724 -0.625 30 20 DBED COCCO[C@@H]1COCC[C@H]1NC(=O)N1CCO[C@H](C#N)C1 487054067 DKECLIVBYYCALT-JHJVBQTASA-N 313.354 -0.259 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)Cn2cc(C)cn2)CC1 490618018 UBPBFJZOALHEBY-UHFFFAOYSA-N 317.393 -0.525 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC(N(C)S(=O)(=O)CC)CC1 490866131 MYRDIQDEBXHDBZ-LBPRGKRZSA-N 315.439 -0.130 30 20 DBED C#CCN(C)CCCNC(=O)N[C@H](C)CN1CCN(C)CC1 491782900 MWCVLDXYZJAHAM-OAHLLOKOSA-N 309.458 -0.123 30 20 DBED CCOCCNC(=O)CNS(=O)(=O)c1cccc(C#N)c1 516606267 GQWRPAKUVJKPOL-UHFFFAOYSA-N 311.363 -0.011 30 20 DBED N#Cc1ccc(S(=O)(=O)CCNCC(F)(F)CO)nc1 564330605 JWQZPAMHSXYSQD-UHFFFAOYSA-N 305.306 -0.056 30 20 DBED N#Cc1cccc(CS(=O)(=O)NC[C@H](O)Cn2ccnn2)c1 566493642 UMCFHBQJQPRALV-ZDUSSCGKSA-N 321.362 -0.370 30 20 DBED CNc1nccc(C(=O)N2CCN(CC#N)CC2)c1[N+](=O)[O-] 575328148 MCVMLIPTVFWTJZ-UHFFFAOYSA-N 304.310 0.313 30 20 DBED C=C(C)CN1CCC(NC(=O)CNS(=O)(=O)NC)CC1 577071967 MQVQCVYITKMIBF-UHFFFAOYSA-N 304.416 -0.803 30 20 DBED N#C[C@H]1CN(S(=O)(=O)NC[C@@H](CO)CC2CC2)CCO1 594866944 VPYFTFLJJHGPJJ-RYUDHWBXSA-N 303.384 -0.546 30 20 DBED CN(CCOCCN)C(=O)C(=O)NCc1ccc(C#N)cc1F 599949353 PPTXRGGJPWMJNU-UHFFFAOYSA-N 322.340 -0.253 30 20 DBED C[C@H](C#N)CNC(=O)N1CCN(S(=O)(=O)C2CC2)CC1 602288223 SJGVOUWBFLKXLL-SNVBAGLBSA-N 300.384 -0.035 30 20 DBED N#Cc1ncn(CC(=O)N[C@@H]2CCCC[C@H]2N2CCOCC2)n1 610887658 NNOQGNKECCKLPK-CHWSQXEVSA-N 318.381 -0.091 30 20 DBED CC#CC[C@@H](CO)NC(=O)c1cc(S(N)(=O)=O)c(C)o1 649186143 RYGMXQATEBOHSB-VIFPVBQESA-N 300.336 -0.260 30 20 DBED C=C[C@H](O)C(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 667117225 ROKUQQQNGPMNIF-UTUOFQBUSA-N 303.380 -0.272 30 20 DBED C#CCCCCC(=O)N(C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 773231610 MZJYWMJHRKXINP-GFCCVEGCSA-N 314.407 -0.058 30 20 DBED N#CCCCS(=O)(=O)NC(=O)CCn1cc([N+](=O)[O-])cn1 776119648 VVUFOPPDPRILOV-UHFFFAOYSA-N 315.311 -0.069 30 20 DBED N#Cc1ccc(CNC(=O)NCCNC(=O)c2cc[nH]n2)nc1 780595758 IKQFYJSUVJRQAK-UHFFFAOYSA-N 313.321 -0.094 30 20 DBED C#CCNC(=O)[C@@H](C)OC(=O)[C@@](C)(O)Cn1ccc(C)cc1=O 790694374 XCOXDZKEMFYRSN-WBMJQRKESA-N 320.345 -0.411 30 20 DBED C#CCC[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)OC)nc1 798486794 UVSLRXCWGKAXHZ-SNVBAGLBSA-N 312.347 -0.079 30 20 DBED COc1ccccc1C(=O)NCC(=O)N[C@@H]1CCCN(O)C1=O 816759100 FCEPZUPMEAMXJC-LLVKDONJSA-N 321.333 -0.079 30 20 DBED COc1ccccc1C(=O)NCC(=O)N[C@H]1CCCN(O)C1=O 816759101 FCEPZUPMEAMXJC-NSHDSACASA-N 321.333 -0.079 30 20 DBED N#C[C@@H]1COCCN1C(=O)[C@H](O)c1ccc(-c2nn[nH]n2)cc1 826380619 HUTWLPVFARJXAQ-VXGBXAGGSA-N 314.305 -0.349 30 20 DBED C/N=C(/NCCN1CCOCC1)NCC[C@]1(O)CCCOC1 849048182 FTKYQAJVELLZMZ-OAHLLOKOSA-N 314.430 -0.585 30 20 DBED C#C[C@@H](NC(=O)NCc1nc(O)cc(CN)n1)[C@H]1CCCO1 851658514 CTEBCHOZMRHYBA-GHMZBOCLSA-N 305.338 -0.379 30 20 DBED C#CCOCCN1C(=O)C(=O)N(CCCN2CCOCC2)C1=O 853018648 MMHOWCBEWVKSTC-UHFFFAOYSA-N 323.349 -0.851 30 20 DBED CC(Cn1cncn1)=NNC(=S)NCCN1CCOCC1 853263291 GBAFXXUFYUZTSI-UHFFFAOYSA-N 311.415 -0.550 30 20 DBED C#CCNC(=O)CN1CCN(c2ccnc(C(=O)OC)n2)CC1 853267379 NWTJXFDNEBCZBN-UHFFFAOYSA-N 317.349 -0.865 30 20 DBED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1C[C@H](O)C1 856393263 OAEVBROTXIWTKT-MGCOHNPYSA-N 323.374 -0.245 30 20 DBED C=C(Br)CNC(=O)N(CCO)CCOCCO 875159819 CYMIFGXIRHHPGC-UHFFFAOYSA-N 311.176 -0.092 30 20 DBED C#CCNC(=O)c1ccccc1NC(=O)[C@H]1OCCN(C)C1=O 900402233 KLXYFAUBGJHIDO-CYBMUJFWSA-N 315.329 -0.155 30 20 DBED C#Cc1cccc(NC(=O)C(=O)NCC(=O)NCCOC)c1 915744856 QUCCNBOYTYDVJJ-UHFFFAOYSA-N 303.318 -0.515 30 20 DBED Cc1nc(CC(=O)N[C@H]2CCN(C(=O)C#CC3CC3)C2)n[nH]1 937921608 ZRIZGUVYWJZBLX-LBPRGKRZSA-N 301.350 -0.214 30 20 DBED C#Cc1cncc(C(=O)N2CC[C@@H](NC(=O)c3ncn(C)n3)C2)c1 940278366 VQYKEIWSICXIFE-CYBMUJFWSA-N 324.344 -0.164 30 20 DBED CCN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CCN(C(=O)CC(N)=O)C1 942728126 ABYKTYWUHRIPFW-NSHDSACASA-N 317.349 -0.175 30 20 DBED CO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1NC(=O)c1ccc(O)nc1 946717338 NEZANBDNHKJUKX-MVWJERBFSA-N 318.333 -0.098 30 20 DBED Cn1nnc(C(=O)N2CC[C@H]2CNC(=O)c2c[nH]c(C#N)c2)n1 949486452 XFFYAMDVDIYVCB-JTQLQIEISA-N 314.309 -0.946 30 20 DBED O=C(NC[C@H]1CCN1C(=O)C#CC1CC1)c1cncnc1O 950700685 ZTOMYXRVZCMSIV-LLVKDONJSA-N 300.318 -0.074 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@H]2CNC(=O)[C@@H]2CCNC2=O)[nH]1 951460285 ULJBGAAQJKJKBO-WDEREUQCSA-N 315.333 -0.647 30 20 DBED C[C@H](C#N)C(=O)N1CCC(N(C)C(=O)c2c[nH]c(=O)cn2)CC1 954228460 GDHQQJPNFBJMBD-SNVBAGLBSA-N 317.349 -0.007 30 20 DBED C[C@H](C#N)C(=O)N1CC(N(C)C(=O)[C@@]2(C)CCC(=O)NC2)C1 955060225 DQHXAILINSMAGX-BMIGLBTASA-N 306.366 -0.268 30 20 DBED O=C1CC[C@H](C(=O)NC[C@@H]2CCCN2C(=O)C#CC2CC2)N1 956004200 PXFVYCLMHUIKJO-QWHCGFSZSA-N 303.362 -0.214 30 20 DBED C[C@H](C#N)C(=O)N1CCC(C)(NC(=O)[C@@H]2CN(C)CCO2)CC1 956325564 YTDRLRGTOQBIQB-OLZOCXBDSA-N 322.409 -0.026 30 20 DBED N#CCN1C[C@H](O)[C@H](CNC(=O)c2cnc3nccn3c2)C1 958257433 FWJKGOPLFWIWLW-PWSUYJOCSA-N 300.322 -0.725 30 20 DBED C=C(C)CN1C[C@H](CNC(=O)c2cnc(O)n(C)c2=O)[C@@H](O)C1 958317409 WZXNMQMIFPUPQP-JQWIXIFHSA-N 322.365 -0.916 30 20 DBED C#CCCN1C[C@H](CNC(=O)c2nn(CC)nc2C)[C@@H](O)C1 958762017 CZDRDUWLZGSBIU-STQMWFEESA-N 305.382 -0.348 30 20 DBED C=C1CC(C)(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@H]3CCC(=O)N3)C2)C1 961904938 CCEPOZLIBRCJTO-UTUOFQBUSA-N 321.377 -0.691 30 20 DBED C=CCn1cc(C(=O)N2C[C@H](O)[C@H](NC(=O)C3(C)CC3)C2)nn1 965927094 AYHLXMDZSIREHX-PWSUYJOCSA-N 319.365 -0.434 30 20 DBED CO[C@H](C)C(=O)N1CCN(C2CN(C(=O)[C@@H](C)C#N)C2)CC1 967194048 LWVYJTFFXBHAIE-NWDGAFQWSA-N 308.382 -0.464 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)c1nnn(C)n1 969640859 XZFSSJSVLOFAAH-LPEHRKFASA-N 303.326 -0.815 30 20 DBED Cn1ncc(CCC(=O)N2CC[C@@]3(CN(CC#N)CCO3)C2)n1 972554660 SGSINTKVPWFRAG-OAHLLOKOSA-N 318.381 -0.425 30 20 DBED COc1cncc(C(=O)N[C@H]2[C@@H]3CN(C(=O)[C@@H](C)C#N)C[C@@H]32)n1 976501380 MVZUGDPHOOQKJH-QISWUMQESA-N 315.333 -0.169 30 20 DBED COCCn1cc(C(=O)NCC2[C@H]3CN(CC#N)C[C@H]23)nn1 978139584 DCDHUGKBICNDLO-VXGBXAGGSA-N 304.354 -0.644 30 20 DBED C#CCN[C@H]1CCC[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 981359164 CRXSOXDWSHIMJS-NWDGAFQWSA-N 318.377 -0.652 30 20 DBED CC#CCN1CCCC2(C1)CN(C(=O)c1nnc(O)nc1O)C2 981874851 WNIPTQOIWHKBDP-UHFFFAOYSA-N 317.349 -0.156 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(N(C)CCN2C(=O)CNC2=O)CC1 985332451 OSFSDAPCUQZQQU-NSHDSACASA-N 321.381 -0.379 30 20 DBED O=C(NC1CN(C(=O)C#CC2CC2)C1)[C@@H]1CN2CCC[C@@H]2CO1 993579806 NNGLOONWJKPKOT-CABCVRRESA-N 317.389 -0.410 30 20 DBED C=C(C)CN[C@H]1CCCN(C(=O)c2cn(C)c(=O)n(C)c2=O)C1 1000366630 GNZDDZPVINDWLH-LBPRGKRZSA-N 320.393 -0.146 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](NC(=O)C(N)=O)[C@H](C(F)(F)F)C1 1008838310 KZULHLLWTKKOEC-FSDSQADBSA-N 306.244 -0.863 30 20 DBED C[C@H]1C[C@@H](CNC(=O)c2cc(C#N)c[nH]2)CN1C(=O)C(N)=O 1010287741 ZJCRVVBAGJYGGZ-WPRPVWTQSA-N 303.322 -0.662 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@]2(NC(=O)Cn3cnnn3)CCC[C@H]12 1014166774 OCIFBAOJTLXSEQ-UHIISALHSA-N 317.353 -0.527 30 20 DBED C=CCN1CC[C@H](N[C@H]2CCN(C(=O)C3(C(N)=O)CC3)C2)C1=O 1019318182 OAOSWRNUFHWAMB-RYUDHWBXSA-N 320.393 -0.771 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2C[C@@H](NCc3nc(O)n[nH]3)C2)cn1 1022992563 OUCZJISMYHXQNK-TXEJJXNPSA-N 312.333 -0.063 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2c(F)cncc2F)C1 1024020242 MRHIUKGLRJHAQZ-WHGOUJPWSA-N 324.287 -0.179 30 20 DBED C=CCN(C)[C@@H]1CCCN(C(=O)Cn2cnc(C(N)=O)n2)C1 1027416899 OOCOHTXXJRJTJG-LLVKDONJSA-N 306.370 -0.514 30 20 DBED CC#CCN1CCC[C@@H]1CNC(=O)[C@H]1CN(C(C)=O)CCO1 1028295533 PZZUSNWEVLAWDP-HUUCEWRRSA-N 307.394 -0.162 30 20 DBED C[C@H](c1nnnn1C)N1CC(CNC(=O)c2cc(C#N)c[nH]2)C1 1031603978 CNIRGMZCQGBQLW-SECBINFHSA-N 314.353 -0.167 30 20 DBED CN(C(=O)[C@H]1CN2CC3CC2(CO1)C3)[C@H]1CCN(CC#N)C1 1033278143 MJCDMCKHNDUNOZ-IOSBVQAASA-N 304.394 -0.094 30 20 DBED C#CCN1CC[C@@H](N(C)C(=O)Cn2nc3ccccn3c2=O)C1 1033311849 JPUINZRNYWXHAF-CYBMUJFWSA-N 313.361 -0.338 30 20 DBED C#CCCN1CCO[C@@H](CNC(=O)c2cc(=O)n(C)cn2)C1 1035403709 GQWYMEJAKZDJRZ-LBPRGKRZSA-N 304.350 -0.766 30 20 DBED C=C(C)CN1CC[C@H]1CNC(=O)c1cn(C)c(=O)n(C)c1=O 1038758951 DQKYIZDOVATREV-NSHDSACASA-N 306.366 -0.536 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@]1(O)CCN(C(=O)c2ccon2)C1 1039576855 YOTIZISVVUGBNC-HUUCEWRRSA-N 323.349 -0.305 30 20 DBED Cc1nnc(CC(=O)NC[C@@]2(O)CCN(C(=O)[C@H](C)C#N)C2)o1 1039616520 SBJYAUGZDQXZAR-OTYXRUKQSA-N 321.337 -0.840 30 20 DBED CC(C)C#CC(=O)NC[C@@]1(O)CCN(C(=O)C2=COCCO2)C1 1039664530 RUXLLPBJARANKK-INIZCTEOSA-N 322.361 -0.386 30 20 DBED CC(C)C#CC(=O)NC[C@]1(O)CCN(C(=O)Cn2ccnc2)C1 1039665217 HGPGROHXDBLSSL-MRXNPFEDSA-N 318.377 -0.378 30 20 DBED C=CCCn1cc(C(=O)NC[C@]2(O)CCN(C(=O)CC)C2)nn1 1039831580 XTNVMWPZZNQIIT-OAHLLOKOSA-N 321.381 -0.043 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@](O)(CNC(=O)c2cc[nH]c2)C1 1040090850 UDZKYSFZULSETA-LRDDRELGSA-N 319.361 -0.254 30 20 DBED C[C@@H]1CN(C(=O)C(N)=O)C[C@@]1(C)CN=c1cc[nH]cc1C#N 1040348878 UTNBNTYYLWMPDN-MEBBXXQBSA-N 301.350 -0.243 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)c2ccnnc2)C1 1041015672 KEXWEORSOKDQBQ-HZMBPMFUSA-N 303.322 -0.671 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)c3cnon3)C2)cn1 1041135072 MPOMASUDKCTXJA-VXGBXAGGSA-N 300.278 -0.684 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(O)(CNC(=O)c2ccco2)C1 1041201995 NYONEIZKVKXXJO-CQSZACIVSA-N 308.334 -0.090 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)[C@H](C2CC2)N(C)C)C1 1042801902 YBEMXBLOSIUUFF-HNNXBMFYSA-N 321.421 -0.180 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)c2csnn2)C1 1042943483 RIYVRHGFKPSGKM-UHFFFAOYSA-N 308.363 -0.499 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042963800 VROWMPQRRLDRNW-GFCCVEGCSA-N 304.346 -0.872 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)[C@H]2CCCOC2)C1 1043032833 JKKMHPYNJZXLRK-ZDUSSCGKSA-N 324.377 -0.858 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)Cc2ccco2)C1 1043039494 GUZOYRSVGKOPHE-GFCCVEGCSA-N 320.345 -0.450 30 20 DBED CC#CCN1CC(N(C)C(=O)c2ccc(=O)n(CCOC)n2)C1 1043269015 VJBOBJUMHOBHKW-UHFFFAOYSA-N 318.377 -0.331 30 20 DBED COCCC1(C(=O)NCC2(O)CN(C(=O)[C@@H](C)C#N)C2)CC1 1043344628 XCIVGUSHOOMQJM-NSHDSACASA-N 309.366 -0.348 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)C[C@@H]2CCC(=O)NC2)C1 1043360079 PFHSGEXYOJSDMS-LBPRGKRZSA-N 323.393 -0.442 30 20 DBED CC#CCCCC(=O)N1CC(O)(CNC(=O)Cn2ccnc2)C1 1043715711 YLIABDPQVQNVKX-UHFFFAOYSA-N 318.377 -0.234 30 20 DBED C#Cc1ccc(C(=O)NCC2(O)CN(C(=O)COCC)C2)nc1 1044251278 IKHVCLJJTVMLMX-UHFFFAOYSA-N 317.345 -0.598 30 20 DBED N#Cc1cnc(N2C[C@H](O)[C@H](NC(=O)c3ccnnc3)C2)cn1 1044577085 STFNXXOLCSGOME-NEPJUHHUSA-N 311.305 -0.882 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)CCc2ccccn2)C1 1045564136 CISAOMLLTUOLDM-LBPRGKRZSA-N 316.361 -0.137 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)c2cn(CC)nn2)C1 1045574080 XVKSTYQFFJSLSK-UHFFFAOYSA-N 307.354 -0.433 30 20 DBED C=C[C@@](C)(CC)C(=O)NCC1(O)CN(C(=O)c2cnn(C)n2)C1 1045777489 JQYYHCMIGJDXLF-AWEZNQCLSA-N 321.381 -0.280 30 20 DBED N#CCN1[C@H]2CC[C@H]1CN(C(=O)CN1C(=O)CNC1=O)CC2 1045888447 ZNNHOEUHBXFHQI-QWRGUYRKSA-N 305.338 -0.873 30 20 DBED C=CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2cn(CCOC)nn2)C1 1047379104 VHGXNHDBSWAHQE-KBPBESRZSA-N 323.397 -0.382 30 20 DBED C#CCOCCC(=O)N1C[C@H]2C[C@H](NC(=O)C(N)=O)C[C@H]1C2 1047700959 LSIRODHMEKXQLY-SDDRHHMPSA-N 307.350 -0.993 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2CN([C@@H](C)C(N)=O)C[C@@H]2C1 1049068205 NAGIONVWVMBTQJ-QNSTZXKLSA-N 307.394 -0.159 30 20 DBED C[C@@H](NC(=O)C#CC1CC1)[C@H]1CCN(C(=O)Cn2cnnn2)C1 1049966756 FIRIYICYKRQCOK-YPMHNXCESA-N 316.365 -0.560 30 20 DBED CC#CCN1CCOC[C@@H]1CNC(=O)[C@@H]1COCCN1CC 1050993311 RNBBPMPQQCJCIS-GJZGRUSLSA-N 309.410 -0.453 30 20 DBED N#Cc1cncc(N2CC[C@H](NC(=O)c3cnco3)[C@@H](O)C2)n1 1051754243 MIMHMSKEKCUKKO-QWRGUYRKSA-N 314.305 -0.294 30 20 DBED N#CCN1CCC[C@H](NC(=O)CN2CCC(=O)NC2=O)CC1 1052845197 VGZAPQLCUZKSGG-NSHDSACASA-N 307.354 -0.577 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)[C@H]1C[C@H]1C(=O)N(C)C)CCO2 1053430384 WIGCSNIUVXWNSO-KGLIPLIRSA-N 319.405 -0.353 30 20 DBED C#CCCN1CC2(CC[C@H](CNC(=O)[C@H]3CCC(=O)N3)O2)C1 1053582849 NSLNHVVTXPZLIY-CHWSQXEVSA-N 305.378 -0.362 30 20 DBED CN1C[C@@H](C(=O)N[C@@H]2COC3(C2)CN(CC#N)C3)CCC1=O 1054017740 KPCTUFBMHUSGBN-RYUDHWBXSA-N 306.366 -0.662 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)c3cn(C)c(=O)n3C)CO2)C1 1054018518 DJSYWBIZJHDAFT-GFCCVEGCSA-N 318.377 -0.680 30 20 DBED C#CCCCC(=O)N1C[C@H]2CN(C(=O)Cn3nccn3)C[C@H]2C1 1055310492 KRENYSPEBGZZTF-OKILXGFUSA-N 315.377 -0.002 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@](CO)(NC(=O)c2ccn(C)n2)C1 1055955071 YJZUOKDOJQKQLG-NHYWBVRUSA-N 319.365 -0.337 30 20 DBED Cc1c[nH]nc1C(=O)N1CCC[C@@](CO)(NC(=O)[C@@H](C)C#N)C1 1056094122 QHSAWQQLFYQSIL-ZUZCIYMTSA-N 319.365 -0.039 30 20 DBED CN1CC[C@@H](C(=O)N[C@H]2[C@@H]3CN(c4cnc(C#N)cn4)C[C@@H]32)C1 1056229267 XAEYIKCZCJVSJX-PBOSXPJTSA-N 312.377 -0.149 30 20 DBED CCOCC(=O)N(CCO)CCNC(=O)c1ccc(C#N)[nH]1 1056864956 TXSGIOKJRLJEEE-UHFFFAOYSA-N 308.338 -0.526 30 20 DBED C=C(C)CCC(=O)NCCN(CCO)C(=O)CN(C)C(C)=O 1057030959 IFBCDSCRKIGOBM-UHFFFAOYSA-N 313.398 -0.242 30 20 DBED CC[C@H](OC)C(=O)N(CCO)CCNC(=O)CSCC#N 1057154207 SVVRUXYIQXVLME-NSHDSACASA-N 317.411 -0.395 30 20 DBED C#CCCCCC(=O)N(CCO)CCNC(=O)c1cnon1 1057388714 XIEIBTKINKHMNU-UHFFFAOYSA-N 308.338 -0.186 30 20 DBED C=C[C@](C)(O)CC(=O)N(CCO)CCNC(=O)c1cn(C)cn1 1057449587 FCEVOPVTKWWBDF-HNNXBMFYSA-N 324.381 -0.702 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)CCc1cnc[nH]1 1057525031 FSKDAOYTJGZPNO-UHFFFAOYSA-N 320.393 -0.061 30 20 DBED O=C(NCCN(CCO)C(=O)C#CC1CC1)c1cnns1 1057531162 HAMGZHACFVJGIN-UHFFFAOYSA-N 308.363 -0.498 30 20 DBED CCN1CCCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@H](C)C#N 1057864268 JUHGFKPNYMYAOS-KGLIPLIRSA-N 324.425 -0.042 30 20 DBED Cn1ncc(C(=O)NC2CCN(c3nccnc3C#N)CC2)n1 1057884304 YRWFVNBTLCFDLW-UHFFFAOYSA-N 312.337 -0.124 30 20 DBED N#Cc1cnc(N2CC[C@H](NC(=O)c3cc[n+]([O-])cc3)C2)cn1 1058276873 RVCYUEPIOCNILL-LBPRGKRZSA-N 310.317 -0.010 30 20 DBED N#Cc1cnc(N2CC[C@H](NC(=O)[C@@H]3CCNC(=O)C3)C2)cn1 1058335827 GKMRPXCJTPXFDX-MNOVXSKESA-N 314.349 -0.431 30 20 DBED C#CCOCCC(=O)NCCN(CCO)C(=O)[C@H](F)CC 1058386654 NYXBQHGRYXHYDC-GFCCVEGCSA-N 302.346 -0.289 30 20 DBED CN1C[C@H](C(=O)N[C@H]2CCN(c3ncccc3C#N)C2)NC1=O 1058504411 PSNSUDJJCICWFQ-NWDGAFQWSA-N 314.349 -0.328 30 20 DBED C=C[C@](C)(CC)C(=O)N(CCO)CCNC(=O)Cn1cncn1 1058730985 NYDJNHZBEBLEFN-OAHLLOKOSA-N 323.397 -0.183 30 20 DBED C#Cc1cncc(C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N)c1 1058777880 YFYQNFXLUDQCCV-LBPRGKRZSA-N 314.345 -0.227 30 20 DBED CN1CC[C@@H](C(=O)N[C@H]2C[C@@H](N=c3cc[nH]c(C#N)n3)C2)C1 1059649376 ZBFPXRDUQZDRFV-UTUOFQBUSA-N 300.366 -0.219 30 20 DBED CN1CC[C@H](C(=O)N[C@H]2C[C@@H](Nc3cnc(C#N)cn3)C2)C1=O 1059786496 UBJWBXLKSLJSBE-JFGNBEQYSA-N 314.349 -0.114 30 20 DBED C=CCCOCC(=O)N1CC2(CCN(C(=O)CC(N)=O)CC2)C1 1061037054 KJUNEMZCXRHRKS-UHFFFAOYSA-N 323.393 -0.095 30 20 DBED CC(C)C#CC(=O)N1CCOC[C@H]1CNC(=O)c1cn(C)nn1 1061550385 MRXPVGXMSZQRHN-GFCCVEGCSA-N 319.365 -0.568 30 20 DBED N#Cc1cnccc1N1C[C@@H]2C[C@H]1CN2C(=O)Cn1cnnn1 1062448040 OQORNSKKPNKFPC-RYUDHWBXSA-N 310.321 -0.571 30 20 DBED CN(C(=O)[C@H]1COCCO1)[C@@H]1CCN(c2ccc(C#N)nn2)C1 1062886003 LMEXKAUZBRHALN-CHWSQXEVSA-N 317.349 -0.199 30 20 DBED N#Cc1nccc(N2CCO[C@@H](CNC(=O)[C@@H]3CCOC3)C2)n1 1063619300 RSQCOHTUGXGENM-NEPJUHHUSA-N 317.349 -0.294 30 20 DBED N#CCSCC(=O)NC1(CNC(=O)Cn2cncn2)CCC1 1064595740 KLNXMHQDOYQFMF-UHFFFAOYSA-N 322.394 -0.310 30 20 DBED N#CCSCC(=O)N1CCO[C@H](CNC(=O)c2ncc[nH]2)C1 1064881096 NZCJJHZWTHPMBV-SNVBAGLBSA-N 323.378 -0.376 30 20 DBED Cc1nc(CC(=O)N2CCO[C@@H](CNC(=O)[C@@H](C)C#N)C2)n[nH]1 1065138408 OFXJSINNCYURJW-ONGXEEELSA-N 320.353 -0.841 30 20 DBED C=CCO[C@H](C)C(=O)N1CCO[C@@H](CNC(=O)COC)C1 1065277910 CJLBPRSXPMXGLG-NEPJUHHUSA-N 300.355 -0.433 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)Cc2cncnc2)C1 1065556950 LTORIQDOFIONQH-YPMHNXCESA-N 317.349 -0.478 30 20 DBED CN(C(=O)c1cocn1)[C@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1065577071 BTLAIQAVXMJRAO-QWRGUYRKSA-N 314.305 -0.342 30 20 DBED N#Cc1nccc(N2C[C@H]3CC[C@H]2CN3C(=O)c2nc[nH]n2)n1 1068048272 RFWHHGOVPJNIQJ-VHSXEESVSA-N 310.321 -0.040 30 20 DBED C=CCOCC(=O)N1CC2(CN(C(=O)COCC)CCO2)C1 1068284900 NBEHCRHQTWWVSL-UHFFFAOYSA-N 312.366 -0.335 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC2(C[C@H](NC(=O)C(F)F)CO2)C1 1068642422 UBBNDUDLIAEAPV-UWVGGRQHSA-N 316.304 -0.224 30 20 DBED C[C@H]1C[C@H](N=c2cc[nH]c(C#N)n2)CN1C(=O)Cn1nccn1 1069155338 SIYPORMOVDDKRJ-QWRGUYRKSA-N 312.337 -0.537 30 20 DBED C[C@@H]1C[C@@H](Nc2cnc(C#N)cn2)CN1C(=O)c1nnn(C)n1 1069178305 MHTRNJUFJVKSIO-RKDXNWHRSA-N 313.325 -0.413 30 20 DBED CCC1(NC(=O)Cn2cnnn2)CCN(C(=O)[C@H](C)C#N)CC1 1069582713 LRUZQQZRVDONGD-LLVKDONJSA-N 319.369 -0.280 30 20 DBED CO[C@@H](C(=O)N1C[C@H](n2ccnn2)[C@H](NCC#N)C1)C(C)C 1070267838 SJLJHEFMYQCGDU-FRRDWIJNSA-N 306.370 -0.186 30 20 DBED CCn1ccc(C(=O)N2C[C@H](n3ccnn3)[C@H](NCC#N)C2)n1 1070289533 HJUBMIUCTROMGQ-OLZOCXBDSA-N 314.353 -0.327 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@]2(C)CCOC2)C[C@@H]1n1ccnn1 1070303243 SDSZVXOCFUZKIZ-VNHYZAJKSA-N 303.366 -0.321 30 20 DBED N#CCN[C@@H]1CN(C(=O)c2ccc(O)nc2)C[C@@H]1n1ccnn1 1070320965 JUSVXBLVTBLRDZ-NEPJUHHUSA-N 313.321 -0.442 30 20 DBED N#CCN[C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCC(=O)N2)CC1 1071098792 HODFCJWXTPPUSX-IPYPFGDCSA-N 320.393 -0.226 30 20 DBED C=CCOCC(=O)N1C[C@H](C)[C@@H](NC(=O)CCn2cncn2)C1 1071807690 BAEYQYLQOKBWHL-STQMWFEESA-N 321.381 -0.166 30 20 DBED C#CCN1CCC2(C1)CN(C(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1)C2 1072978157 FZIWBLFSIKGWIS-UONOGXRCSA-N 319.405 -0.210 30 20 DBED C#CCN1CCC2(C1)CN(C(=O)CN1C(=O)CN(C)C1=O)C2 1073412519 UVOLCJFDJXFOIH-UHFFFAOYSA-N 304.350 -0.952 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(C(=O)c2cnn(C)n2)C[C@H]1C 1073820887 XQTIMOGOAIONAM-NEPJUHHUSA-N 321.381 -0.016 30 20 DBED COc1cnc(C(=O)N2CC[C@H]3OCCN(CC#N)[C@@H]3C2)nc1 1074294224 KAHQQZKDOSGUAZ-CHWSQXEVSA-N 317.349 -0.076 30 20 DBED C=CCCC(=O)N1CCC(O)(CNC(=O)c2ncn(C)n2)CC1 1074510680 MPSQSSCWKWLVGY-UHFFFAOYSA-N 321.381 -0.135 30 20 DBED C[C@H]1C[C@H](NC(=O)CC(N)=O)CCN1C(=O)c1ccc(C#N)[nH]1 1074908673 ALBMGEKTYSKWHX-VHSXEESVSA-N 317.349 -0.129 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H](N[C@@H]3CCNC3=O)[C@@H]2C)nn1 1074949557 FRLYECFMKQEZBR-SDDRHHMPSA-N 318.381 -0.455 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCO[C@H]2c2ccncc2)C1 1077015402 SVDNNOSXNXSSMP-FPCVCCKLSA-N 315.373 -0.046 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2nc3cccnc3s2)C1 1077140051 VQQUOBZGGHYFRJ-NXEZZACHSA-N 303.347 -0.010 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)c2ccc3c(n2)OCCO3)C1 1077300815 RJWAELLDNKVXKV-CHWSQXEVSA-N 317.345 -0.349 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN(CCS(C)(=O)=O)C[C@H]2O)C1 1077642079 VUDOLVVPOBUENI-VXGBXAGGSA-N 316.423 -0.451 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)C(=O)N2CCC[C@@H]2CC)C1 1077962641 OGRHVQAXYYHVLE-BFHYXJOUSA-N 307.394 -0.428 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)c1cnn[nH]1)[C@@H]1COC[C@@H]12 1079249999 GFJPDFFRPMXFEF-GXTWGEPZSA-N 315.377 -0.009 30 20 DBED C#CCNC(=O)CC(=O)N(CC)C1CN(C(=O)[C@H]2C[C@@H]2C)C1 1079644739 RARMYTWTCWZAJD-AAEUAGOBSA-N 305.378 -0.159 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(CC)C1CN(C(=O)CC(=O)NC)C1 1080577322 YPFIYPMHFZPQIC-OLZOCXBDSA-N 323.393 -0.227 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CO)(NC(=O)c2csnn2)CC1 1080920627 DUUBLAPVECLDQE-VIFPVBQESA-N 323.378 -0.219 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@@H]1O 1081442902 ZUDYSJJHCCJIFJ-NEPJUHHUSA-N 319.365 -0.832 30 20 DBED C=CC(C)(C)CC(=O)NC[C@H]1CN(C(=O)c2cnn[nH]2)C[C@H]1O 1081514203 PSNPMSJIIVTYSC-CMPLNLGQSA-N 321.381 -0.044 30 20 DBED C=C(C)CCC(=O)N1C[C@H](O)[C@H](CNC(=O)C2(C(N)=O)CC2)C1 1081717118 UHTCFYSVCHTOFR-NEPJUHHUSA-N 323.393 -0.456 30 20 DBED C=C(C)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cc(=O)n(C)cn1 1083109605 IBPWFFNFQUVPMR-UONOGXRCSA-N 318.377 -0.118 30 20 DBED C[C@@H](C(=O)N1CCO[C@@H]2CN(CC#N)C[C@@H]21)N1CCOCC1 1083293439 DRDFOKJTFVMCQA-MELADBBJSA-N 308.382 -0.858 30 20 DBED C=CCN1CC[C@@H]2CN(C(=O)CN3C(=O)CN(C)C3=O)[C@@H]2C1 1084818081 JCOSVYKFMWALHV-VXGBXAGGSA-N 306.366 -0.401 30 20 DBED Cn1cc([C@@H]2CN(C(=O)CN3CCCC3)C[C@H]2NCC#N)cn1 1087009392 DCGTYVMTVQTIEZ-LSDHHAIUSA-N 316.409 -0.077 30 20 DBED N#CCN[C@H]1CCCCCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 1088328374 RKKGCMSFHJMOIZ-QWRGUYRKSA-N 307.354 -0.531 30 20 DBED CCN(c1cnc(C#N)cn1)[C@H](C)CNC(=O)[C@H]1COC(=O)N1 1089636431 YSADSXFOIXHZIK-MWLCHTKSSA-N 318.337 -0.212 30 20 DBED COc1nc(C)ncc1C(=O)N[C@@H]1CCN(CC#N)C[C@@H]1O 1090310682 NAXATKIIIGWQBV-NEPJUHHUSA-N 305.338 -0.518 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2ccnc3ccnn23)[C@H](O)C1 1090324042 ULMVHCJQXZSTFV-GXTWGEPZSA-N 313.361 -0.082 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CN(c2ncnc3c2cnn3C)C[C@H]1O 1090392664 YIAGEIIAVKNXBO-FBIMIBRVSA-N 315.337 -0.811 30 20 DBED C=CCCN1CC[C@@H](NC(=O)c2ccc3nnnn3c2)[C@H](O)C1 1090431433 XVJWMCYIQOMDGS-CHWSQXEVSA-N 316.365 -0.135 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2cnc(C3CC3)nc2O)[C@H](O)C1 1090629037 DXKNXFXNGFDQIX-CHWSQXEVSA-N 316.361 -0.142 30 20 DBED N#CCN1CC[C@H](NC(=O)c2ccc(C(N)=O)s2)[C@@H](O)C1 1090644068 IMIOOIGSLPNLPU-IUCAKERBSA-N 308.363 -0.464 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2cc3ncccn3n2)[C@@H](O)C1 1090660217 OZVMSNGLOLISAZ-JSGCOSHPSA-N 313.361 -0.082 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2cnccc2N(C)C)[C@H](O)C1 1090732308 BJFKUSSHQKIOKK-UKRRQHHQSA-N 302.378 -0.054 30 20 DBED CNC(=O)CC(=O)N1C[C@@H](N=c2cc[nH]cc2C#N)[C@H](C)C1 1090968174 VGLLFMGIYQJQEF-ZWNOBZJWSA-N 301.350 -0.230 30 20 DBED C[C@H](NC(N)=O)C(=O)NC[C@H]1C[C@H](N=c2cc[nH]cc2C#N)C1 1091454111 DLICRNUHNRKUTM-NHCYSSNCSA-N 316.365 -0.261 30 20 DBED CNC(=O)NCC(=O)N[C@H]1CCN(c2cncc(C#N)n2)[C@@H]1C 1092057314 HWTQRZZJMBPPPJ-KOLCDFICSA-N 317.353 -0.639 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCN(c2nccc(C)n2)C[C@H]1O 1092165390 XPVOEWGIDLSQCG-ZIAGYGMSSA-N 318.377 -0.119 30 20 DBED CN(C)CCC(=O)N[C@@H]1CCN(c2ccncc2C#N)C[C@H]1O 1092174098 QWVYAWRQEMREMV-UKRRQHHQSA-N 317.393 -0.039 30 20 DBED CN(C)CCC(=O)N[C@H]1CCN(c2ccncc2C#N)C[C@@H]1O 1092174099 QWVYAWRQEMREMV-ZFWWWQNUSA-N 317.393 -0.039 30 20 DBED C#CCCN1C[C@@H](C)[C@H](CNC(=O)[C@@H]2COCCN2C(C)=O)C1 1093210140 KEPMGZCFFFPGLW-BMFZPTHFSA-N 321.421 -0.059 30 20 DBED C#CCN1CC(OC2CCN(C(=O)[C@H]3CCNC3=O)CC2)C1 1093558797 CAYFZDBEKRBBJF-AWEZNQCLSA-N 305.378 -0.553 30 20 DBED Cc1ccc(C#N)c(NCCNC(=O)CN2C(=O)CNC2=O)n1 1093622138 KXIQISXNFOPHFL-UHFFFAOYSA-N 316.321 -0.658 30 20 DBED N#Cc1cnc(NCCNC(=O)CN2C(=O)CNC2=O)c(F)c1 1093622427 XWKVOAAFVSIXFL-UHFFFAOYSA-N 320.284 -0.828 30 20 DBED Cn1nccc1COCC(=O)NCCNc1ccc(C#N)nn1 1093944985 LNXOKFYAHOTQHJ-UHFFFAOYSA-N 315.337 -0.173 30 20 DBED C=CCN1CC(n2cc(CNC(=O)c3nnn(C)c3C)nn2)C1 1094282231 KEIJRCOIARPUOJ-UHFFFAOYSA-N 316.369 -0.312 30 20 DBED C#CCN1CC(n2cc(CNC(=O)[C@H]3C[C@H](C)CO3)nn2)C1 1094306410 DCFAACIHGZCCCJ-SMDDNHRTSA-N 303.366 -0.191 30 20 DBED C=CCN1CCN(C(=O)[C@H]2CCCO2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094602959 DXAWNKWEWGHHQB-YNEHKIRRSA-N 314.407 -0.339 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)c3n[nH]cc3F)CC2=O)C1 1094784197 CXWFAUOUNLCQAO-SECBINFHSA-N 307.329 -0.250 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)C[C@H]3CCC(=O)N3)CC2=O)C1 1094795637 UXPAVRXFDXZSTA-VXGBXAGGSA-N 320.393 -0.758 30 20 DBED Cc1nccc(C(=O)N[C@H]2CC(=O)N(C3CN(CC#N)C3)C2)n1 1094817637 OKFKSYLDMRJEGW-NSHDSACASA-N 314.349 -0.677 30 20 DBED CN(CCCNC(=O)[C@H]1CNC(=O)N1)c1ncc(C#N)cc1F 1095715160 IKTXPLMYFMBBRF-LLVKDONJSA-N 320.328 -0.284 30 20 DBED N#Cc1cncc(N2CC[C@H](NC(=O)CCNC(N)=O)C2)n1 1096377502 BMLSIIYAZISUKY-VIFPVBQESA-N 303.326 -0.898 30 20 DBED CC(=O)N1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC#N)C1 1098309941 PQRXBDOJHLWJGP-MQYQWHSLSA-N 306.366 -0.521 30 20 DBED C#CCN(CCO)C1CCN(C(=O)c2cc(=O)n(C)cn2)CC1 1098396053 NDOLOVOASGZYPO-UHFFFAOYSA-N 318.377 -0.688 30 20 DBED C[C@@H](CCNC(=O)CCNC(N)=O)Nc1ccc(C#N)nn1 1099142406 XSLQSXDBJYHCIH-VIFPVBQESA-N 305.342 -0.287 30 20 DBED C[C@H](CCNC(=O)c1nnn(C)n1)Nc1ccc(C#N)nn1 1099619179 OUFVREFITRNWDV-MRVPVSSYSA-N 301.314 -0.508 30 20 DBED C[C@H](CCNC(=O)[C@H]1C[C@H]1C(N)=O)N=c1cc[nH]cc1C#N 1099691513 IKXQRNYCMBFBKA-JLLWLGSASA-N 301.350 -0.197 30 20 DBED C=CCCC(=O)N[C@@H]1CCN(CCN2C(=O)CCC2=O)C[C@@H]1O 1099725570 WXNWQOWCCGMISR-OLZOCXBDSA-N 323.393 -0.347 30 20 DBED CCn1ncc(CN2CC[C@@H](NC(=O)C#CC3CC3)[C@H](O)C2)n1 1099826134 GVEWCWXAXGBZAU-HUUCEWRRSA-N 317.393 -0.237 30 20 DBED CC(C)N(C)C(=O)CN1CC[C@H](NC(=O)C#CC2CC2)[C@H](O)C1 1099827119 UIJLBANTEOSFMH-LSDHHAIUSA-N 321.421 -0.182 30 20 DBED C#CCC1(C(=O)N[C@@H]2CCN(CCOCCO)C[C@@H]2O)CCC1 1099875000 UGUMHWIDGNRHEM-CABCVRRESA-N 324.421 -0.260 30 20 DBED CC#CCN1CC[C@H](NC(=O)COc2cc(C)on2)[C@H](O)C1 1099884756 CBMNDICHBVPSQK-QWHCGFSZSA-N 307.350 -0.063 30 20 DBED C=CCN1CC[C@H](NC(=O)C(=O)NCC(F)(F)F)[C@@H](O)C1 1100056094 OQOXZBSDOCKMTB-IUCAKERBSA-N 309.288 -0.598 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)CCC2(C)CC2)[C@@H](O)C1 1100060858 ZEGSDUVDRCHNGS-KGLIPLIRSA-N 321.421 -0.133 30 20 DBED CN(CCNC(=O)c1ccn2nnnc2c1)c1ccnc(C#N)n1 1100278595 DVBYCGITPTVQEW-UHFFFAOYSA-N 323.320 -0.348 30 20 DBED CCN(CCNC(=O)c1c[nH]c(=O)cn1)c1ccc(C#N)nn1 1100701498 MDCXYEAIBSLSTH-UHFFFAOYSA-N 313.321 -0.312 30 20 DBED CCN(CCNC(=O)[C@H]1C[C@H]1C(N)=O)c1cncc(C#N)n1 1100719937 ZPLCGSWEDODWJB-MNOVXSKESA-N 302.338 -0.588 30 20 DBED C=CCNC1CC(CNC(=O)CCn2cc[nH]c(=O)c2=O)C1 1100763335 SRMQBIBIOJPTJX-UHFFFAOYSA-N 306.366 -0.403 30 20 DBED CNC(=O)CC(=O)NC[C@H]1CCN(c2cnc(C#N)cn2)C1 1100974978 CHLLDEXIQLSLLL-SNVBAGLBSA-N 302.338 -0.573 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CN(C(=O)COCCC)C[C@]2(C)C1 1101158132 MBSFVJNEMBRLFE-PBHICJAKSA-N 321.421 -0.057 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1CCNC(=O)CN1CCOCC1=O 1103091549 SVASNEDBYLGJKJ-CHWSQXEVSA-N 308.382 -0.557 30 20 DBED COCC#CCN1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CNC(=O)N2)C1 1103383909 PUDLXXGSFRLOMQ-MGPQQGTHSA-N 322.409 -0.608 30 20 DBED C[C@H](CNC(=O)c1c[nH]c(=O)cn1)CNc1cncc(C#N)n1 1104167525 YLBQSEBTQRKPOG-VIFPVBQESA-N 313.321 -0.090 30 20 DBED C#CCCNCC[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@H]1C 1104368218 FLGONXWLSDGHBP-ZIAGYGMSSA-N 319.409 -0.321 30 20 DBED N#Cc1nccnc1NC1(CNC(=O)CNC(N)=O)CCCC1 1104369402 NERBLSCHCUHHKW-UHFFFAOYSA-N 317.353 -0.143 30 20 DBED C=CCOCCNCc1cn(C2CN(C(=O)COCC)C2)nn1 1105150202 FRGRLTZDKRGKPJ-UHFFFAOYSA-N 323.397 -0.010 30 20 DBED C#CCNCc1cn(C2CN(C(=O)c3ccn(CC)n3)C2)nn1 1105339053 IOUSDFTWXXPWOO-UHFFFAOYSA-N 313.365 -0.086 30 20 DBED Cc1nc(N(C)CCN(C)C(=O)Cn2ncnn2)ccc1C#N 1105472956 LKRQZSNQNQJLKU-UHFFFAOYSA-N 314.353 -0.157 30 20 DBED CN(CCN(C)c1cnc(C#N)cn1)C(=O)C[C@H]1CCNC1=O 1105483406 MZZMZZFBDZJHIL-LLVKDONJSA-N 316.365 -0.231 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)c2cc[n+]([O-])cc2)nc1 1105735776 ZIAZKLGQICCPTN-CYBMUJFWSA-N 313.317 -0.211 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H](O)CNC(=O)c1ncccc1O 1105801812 CFGSZDGXWBXHJR-NSHDSACASA-N 313.317 -0.321 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H](O)CNC(=O)Cc1cnoc1 1106070013 IBALQDUVIMQFDU-LBPRGKRZSA-N 301.306 -0.505 30 20 DBED CN(C)CCCC(=O)NC[C@@H](O)CNc1cnc(C#N)cn1 1106075459 DJNSDQGIZVVGQS-LBPRGKRZSA-N 306.370 -0.421 30 20 DBED C[C@@H](CCNc1ccc(C#N)nn1)NC(=O)[C@@H]1COCCN1C 1106278251 SUNPNYHQALSHOU-AAEUAGOBSA-N 318.381 -0.014 30 20 DBED C[C@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)[C@@H]1CCC(=O)NC1 1106635534 USKZDBKROAYKFJ-GHMZBOCLSA-N 316.365 -0.397 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)C1(C(=O)NC)CC1 1106795335 MKZFOBONHLWHOD-UHFFFAOYSA-N 316.365 -0.443 30 20 DBED C=CCCCN1CC(n2cc(CNC(=O)CNC(C)=O)nn2)C1 1107117549 WLDAGBYYHZHRJJ-UHFFFAOYSA-N 320.397 -0.147 30 20 DBED C#CCN1CC(n2cc(CNC(=O)C[C@@H]3CCC(=O)N3)nn2)C1 1107219728 VBLKCKFCPQDCRU-NSHDSACASA-N 316.365 -0.947 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CC(=O)N(C2CN(CCF)C2)C1 1108546576 YOMAGGQMMLQLEZ-NWDGAFQWSA-N 311.357 -0.605 30 20 DBED C[C@H](CN(C)c1ccc(C#N)nn1)NC(=O)c1cnnn1C 1108921073 BVGCOJHCJCFMAZ-SECBINFHSA-N 300.326 -0.269 30 20 DBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cncnc1 1109180187 REOVKZHUESUMJH-AGIUHOORSA-N 314.349 -0.549 30 20 DBED CN(CCCN=c1cc[nH]c(C#N)n1)C(=O)Cn1cncn1 1109448676 FWFRCJMLYHQCIG-UHFFFAOYSA-N 300.326 -0.678 30 20 DBED CN1CC[C@@H](C(=O)NCC2(Nc3nccnc3C#N)CC2)C1=O 1110306881 FHEWSLKXHCQFMN-JTQLQIEISA-N 314.349 -0.113 30 20 DBED C#CCNC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1nc[nH]n1 1111165457 JCDVVHHULAARBD-QCNOEVLYSA-N 316.365 -0.722 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cc1ncc[nH]1 1111181877 RFIQRGVZFVNCFV-UPJWGTAASA-N 315.377 -0.577 30 20 DBED CNC(=O)CC(=O)N1C[C@@H]2CN(c3cnc(C#N)cn3)C[C@@H]2C1 1111292717 MYAQHWHCVPVARI-PHIMTYICSA-N 314.349 -0.621 30 20 DBED N#Cc1c[nH]ccc1=NCCN(CCO)C(=O)c1cnco1 1111533798 MXWYZGKIMVCYSE-UHFFFAOYSA-N 301.306 -0.090 30 20 DBED CNC(=O)CC(=O)N1CCO[C@H](CN=c2cc[nH]cc2C#N)C1 1111940375 LJKRUASUPZOULJ-GFCCVEGCSA-N 317.349 -0.849 30 20 DBED CC(=O)NCC(=O)N[C@H]1CCN(c2cncc(C#N)n2)C[C@H]1C 1112387860 LOMNTNPPYVDCLF-MFKMUULPSA-N 316.365 -0.185 30 20 DBED N#CCNC[C@]12CCC[C@H]1CN(C(=O)Cn1c(O)nnc1O)C2 1112570077 CKDHLEOOPIDLIL-HZMBPMFUSA-N 320.353 -0.569 30 20 DBED N#CCNC[C@]12CCC[C@H]1CN(C(=O)C[C@H]1CC(=O)NC1=O)C2 1112593984 DWVXLXDTUJKWJS-WQGACYEGSA-N 318.377 -0.219 30 20 DBED C#CCC1(C(=O)N2CCN([C@@H](C)C(N)=O)CC2)CCOCC1 1112950054 HXPVRZXNZWUSMI-ZDUSSCGKSA-N 307.394 -0.176 30 20 DBED CO[C@@H]1CC[C@H](C(=O)N2CCN(CC(=O)NCC#N)CC2)C1 1113046912 OODWVIGFYMFCLL-QWHCGFSZSA-N 308.382 -0.415 30 20 DBED C[C@H](NC(=O)C1(C(N)=O)CC1)[C@@H](C)N=c1cc[nH]c(C#N)n1 1113273299 AHMFKSAFOZGIAY-BDAKNGLRSA-N 302.338 -0.659 30 20 DBED C=CCOCCN1C[C@H]2C(NC(=O)[C@H]3CN(C)CCO3)[C@@H]2C1 1114091122 QULOXZLKWCVAHD-MGPQQGTHSA-N 309.410 -0.434 30 20 DBED CCOCC(=O)N1CCO[C@H]([C@H](C)N=c2cc[nH]c(C#N)n2)C1 1114628143 JOQZPDPFYYOGAD-RYUDHWBXSA-N 319.365 -0.166 30 20 DBED CC(=O)NCC(=O)NCCOCCN(C)c1ccc(C#N)nn1 1115160934 NRWCKSTXZACIOE-UHFFFAOYSA-N 320.353 -0.947 30 20 DBED CC#CCN1C[C@@H]2C(NC(=O)CCC(=O)N3CCOCC3)[C@H]2C1 1115209633 XSTHJIFJIOUEFU-KBPBESRZSA-N 319.405 -0.305 30 20 DBED C#CCN1CCC(C(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)CC1 1116203331 GGYMXYRGOPWNKB-LBPRGKRZSA-N 304.350 -0.906 30 20 DBED C#CCOCCNC(=O)C(=O)NC1CCC(C(=O)OCC)CC1 1117106316 CQODACQTUIWWBI-UHFFFAOYSA-N 324.377 -0.010 30 20 DBED C#CCCCCNC(=O)C(=O)N1CCN(C(=O)COC)CC1 1117421306 DOJICSIQGREOAL-UHFFFAOYSA-N 309.366 -0.777 30 20 DBED N#CCCC[C@@H](N)C(=O)N1CCN(C(=O)N2CCOCC2)CC1 1118060946 NDTDLMRBLQAUPH-CYBMUJFWSA-N 323.397 -0.396 30 20 DBED COCC#CC(=O)NC[C@](C)(NC(=O)C#CCOC)C(C)C 1118672782 XVOQNKZDFBXOCK-INIZCTEOSA-N 308.378 -0.067 30 20 DBED COC[C@@]1(C)NC(=O)N(CN2CCN(CCC#N)CC2)C1=O 1119076929 YJKJVKKFQAEPEE-CQSZACIVSA-N 309.370 -0.568 30 20 DBED COCC#CC(=O)NCCNS(=O)(=O)Cc1ccccc1 1119630325 YLQKWPHYSQIZET-UHFFFAOYSA-N 310.375 -0.128 30 20 DBED C[C@H](CN(C)C(=O)[C@H]1CCCNC1=O)N=c1cc[nH]c(C#N)n1 1120199338 HETMYEYFTWWZFD-MNOVXSKESA-N 316.365 -0.445 30 20 DBED N#Cc1cncc(N[C@H](CO)CNC(=O)Cn2cccn2)n1 1121056470 VOQXQYLWBFGSPJ-NSHDSACASA-N 301.310 -0.866 30 20 DBED Cn1ccc(C(=O)NC[C@H](CO)Nc2ccc(C#N)nn2)n1 1121580280 IBHQAZYAXYWJIR-SNVBAGLBSA-N 301.310 -0.715 30 20 DBED Cc1n[nH]c(C)c1C(=O)NC[C@H](CO)Nc1nccnc1C#N 1121920647 NECXYQZBJWPGKK-SNVBAGLBSA-N 315.337 -0.109 30 20 DBED C[C@@]1(C(=O)NC[C@H](CO)N=c2cc[nH]c(C#N)n2)CCCOC1 1121935369 CLNOIXSUKJOKFS-IAQYHMDHSA-N 319.365 -0.524 30 20 DBED CN(C[C@H](O)CNc1ncccc1C#N)C(=O)[C@H]1CCC(=O)N1 1124207252 MLBNGODPYUBPOS-VXGBXAGGSA-N 317.349 -0.537 30 20 DBED C=CCCC(=O)NCCN[C@H](C)C(=O)N1CCC(C(N)=O)CC1 1124651315 RWCRXHVPHCKHHN-GFCCVEGCSA-N 324.425 -0.229 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CCc2nnc(CNCC#N)n2CC1 1127965413 URHHLUIZJAJBQQ-MNOVXSKESA-N 301.354 -0.128 30 20 DBED C#CCN1CCn2ncc(CNC(=O)CC(=O)N(C)C)c2C1 1128512414 JGIQCDGEXOGFSG-UHFFFAOYSA-N 303.366 -0.574 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)CCn2cncn2)C1 1128710320 GZWFIKHBSULIQU-OLZOCXBDSA-N 316.369 -0.513 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)[C@@H](CC)NC(C)=O)CC1 1131386120 VROMWYWNVNGMEV-CQSZACIVSA-N 322.409 -0.815 30 20 DBED Cn1nnc(C(=O)NCCNCc2ccc(C#N)cc2F)n1 1132523487 LQRCJPKPEPHJFM-UHFFFAOYSA-N 303.301 -0.260 30 20 DBED C=CCNC(=O)CN1C[C@H](NC(=O)CCCC(N)=O)CC[C@@H]1C 1132537070 MCCZDJSHURLUPL-QWHCGFSZSA-N 324.425 -0.087 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)c1cnnc(O)c1 1134676446 OTDBEQIHPKPXKK-GHMZBOCLSA-N 319.365 -0.582 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)c1cncnc1O 1134726975 WQXXFWHJSZRLRP-WDEREUQCSA-N 319.365 -0.582 30 20 DBED C#CCN[C@@H](C)C[C@@H](C)NC(=O)c1c[nH]nc1S(N)(=O)=O 1135458958 BKTGGYYTHPXUGW-DTWKUNHWSA-N 313.383 -0.823 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)CCc1cnn[nH]1 1135497826 VRGVFGUYZDGPMI-NWDGAFQWSA-N 320.397 -0.640 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)[C@@H]1CCO[C@@H]1C 1135782576 FWAUZAUEJNZACD-GHMZBOCLSA-N 312.370 -0.871 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@H](C)N(CC)CC(=O)N(C)C 1153864431 SSOZZPYYROVMNN-CABCVRRESA-N 322.453 -0.001 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)CNC(=O)CC)C1=O 1155812909 PMMZDDDWUBKNKE-GFCCVEGCSA-N 310.398 -0.605 30 20 DBED C#CCOCCC(=O)NCCCNCCCS(C)(=O)=O 1157846670 XJGVNNQZFRBSTC-UHFFFAOYSA-N 304.412 -0.443 30 20 DBED CCc1nnsc1C(=O)NCCCNCC(=O)NCC#N 1162007581 UTGDAUDOWQQAJF-UHFFFAOYSA-N 310.383 -0.550 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@H]1CCCN(C(C)=O)C1 1162053886 IBJRSPNIANPQCP-AWEZNQCLSA-N 324.425 -0.357 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)CCNC(=O)COC)C[C@@H]21 1177029650 HSDHWXYNNZVISQ-UONOGXRCSA-N 323.393 -0.926 30 20 DBED C=CCOCCN1CCO[C@H]2CCN(C(=O)c3cnn[nH]3)C[C@H]21 1177042751 RNGZCCIZKRXZAU-KGLIPLIRSA-N 321.381 -0.077 30 20 DBED Cn1cnc(C(=O)NCCCCCCNCC(=O)NCC#N)c1 1178195149 BRCMYLHUFULBNY-UHFFFAOYSA-N 320.397 -0.060 30 20 DBED C[C@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)Cc1ccnn1C 1178560159 ZRCXUQDXMJUHAO-AAEUAGOBSA-N 318.381 -0.819 30 20 DBED Cc1nccn1CC(=O)N1CC[C@H](NCC(=O)NCC#N)[C@@H]1C 1180136274 VJYMCNDITBZSCM-AAEUAGOBSA-N 318.381 -0.590 30 20 DBED C[C@@H]1CN(C(=O)c2cnon2)C[C@@]1(C)CNCC(=O)NCC#N 1182941748 QCRJTWLNJYBSHA-QMTHXVAHSA-N 320.353 -0.603 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](C)C2)C1 1186941703 ONUORODOOHQBDV-CHWSQXEVSA-N 322.409 -0.653 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3conc3C)[C@@H]2C1 1188992206 SVECMYBVNRHORK-GXTWGEPZSA-N 316.361 -0.121 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 1189389141 HOGXVAHCFDKEPH-KBPBESRZSA-N 306.410 -0.637 30 20 DBED C#CCN1C[C@@H]2CCN(C(=O)COCc3nncn3C)[C@@H]2C1 1189612221 KRXMOHDSYZYHMB-QWHCGFSZSA-N 303.366 -0.502 30 20 DBED Cn1cc(CN2C[C@@H](O)[C@H](NC(=O)C#CC(C)(C)C)C2)nn1 1192871512 SETCOLBTOQQRLE-CHWSQXEVSA-N 305.382 -0.474 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)CNC(=O)C2CCCC2)C1 1193202424 XIHZQVNJVGVKLV-ZIAGYGMSSA-N 307.394 -0.523 30 20 DBED C#CCCCCCC(=O)N[C@@H]1CN([C@H](C)C(=O)NC)C[C@H]1O 1195307053 LLACSMCZCMKPGO-MGPQQGTHSA-N 309.410 -0.134 30 20 DBED CCc1oncc1C(=O)N[C@@H]1CN(CC#CCOC)C[C@H]1O 1196482278 KWAIKMMFZRXDNS-CHWSQXEVSA-N 307.350 -0.338 30 20 DBED C=CCNC(=O)[C@H](C)NC1CCN(C(=O)[C@@H](C)NC(C)=O)CC1 1199225848 UVKMNRTVUGGOFS-NWDGAFQWSA-N 324.425 -0.218 30 20 DBED CNC(=O)CNC[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCCO1 1200201265 VTYWRSVIQRSKKW-GFCCVEGCSA-N 319.365 -0.547 30 20 DBED C=CCNC(=O)[C@H](C)NC1CCN(C(=O)[C@@H]2COC(=O)N2)CC1 1200348558 AIADIGOFFHIFQG-JQWIXIFHSA-N 324.381 -0.634 30 20 DBED COCC#CCNC1CCN(C(=O)C[C@@H](C)NC(N)=O)CC1 1200564402 XESCJEUWZODXMK-GFCCVEGCSA-N 310.398 -0.336 30 20 DBED C#CCNC[C@@H]1CN(C(=O)c2cc(=O)n(C)cn2)CCCO1 1200713848 PYADTFNMMADZSF-GFCCVEGCSA-N 304.350 -0.766 30 20 DBED C#Cc1ccc(C(=O)N2CCCO[C@@H](CNCCO)C2)nc1 1201891724 PNTCUPHTMDLMDR-AWEZNQCLSA-N 303.362 -0.124 30 20 DBED C=CCNC(=O)CN[C@@H]1C[C@H](NC(=O)c2cnn[nH]2)C12CCC2 1203112264 BBWGTMJAKWYKNM-NEPJUHHUSA-N 318.381 -0.263 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCC(CNCc2nnn(C)n2)CC1 1205119210 OCLIBQOFLLPHBB-HNNXBMFYSA-N 322.413 -0.135 30 20 DBED C[C@H]1C[C@@H](C(=O)N2CCC(CNCC(=O)NCC#N)CC2)CO1 1205552290 FZJMHEXRECKQOR-GXTWGEPZSA-N 322.409 -0.121 30 20 DBED COCC#CCN1C[C@@H](NC(=O)CNC(=O)C2CC2)[C@H](C)C1 1206209355 FGWNGVWSINZSDG-TZMCWYRMSA-N 307.394 -0.401 30 20 DBED COCC#CCN1C[C@@H](NC(=O)CCn2ccnn2)[C@H](C)C1 1206906128 DXRINGFFWBGSPE-ZIAGYGMSSA-N 305.382 -0.246 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(CC(=O)NC2CC2)C[C@H]1C 1206963745 NDBVEXOBRAZPKP-YRGRVCCFSA-N 307.394 -0.260 30 20 DBED C#CCOCCC(=O)N1CCC[C@@H](NCc2nncn2C)C1 1208031731 CTVOOQNKELRHSQ-CYBMUJFWSA-N 305.382 -0.064 30 20 DBED COCC#CCN[C@H]1CCCN(C(=O)C2CC(=O)NC(=O)C2)C1 1210107275 OKEVVMDPVVNJGO-ZDUSSCGKSA-N 321.377 -0.730 30 20 DBED C=CCOCCN1C[C@@H](NC(=O)c2cn(C)c(=O)n2C)[C@H](C)C1 1211390861 ACZMDPRWYLALAO-CHWSQXEVSA-N 322.409 -0.024 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)CCC(F)F)[C@H](OC)C1 1213175680 ZZHHQYUQGVPMLU-GHMZBOCLSA-N 317.336 -0.404 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)c2cnco2)[C@H](OC)C1 1213235473 UROPWUJNGHRFMF-ZYHUDNBSSA-N 308.338 -0.594 30 20 DBED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)c1oncc1C 1213669796 RZWCBVYOKSQRTF-GHMZBOCLSA-N 321.337 -0.948 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)c2cc(C)on2)C1 1219161155 UFDBQMZLGHDIAO-UHTWSYAYSA-N 322.365 -0.551 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(Cc2cc(C)no2)C[C@@H]1O 1219527140 JXEVZDRIXJAAQN-VNHYZAJKSA-N 309.366 -0.029 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@]2(CC(C)C)CCNC2=O)C1 1219828133 WSYHXDIVEJALQQ-WWGRRREGSA-N 307.394 -0.667 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2cnn(CC)n2)C[C@@H]1O 1221143523 IAMWUVNRDJRPCR-BNOWGMLFSA-N 323.397 -0.450 30 20 DBED C#CCOCCC(=O)N(C)C[C@@H]1CCN1[C@@H](C)c1nnnn1C 1234247239 YQWSZQQKPKCIMF-STQMWFEESA-N 320.397 -0.156 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCc2ccccc2[C@@H]1CO 1260310061 SKDPKUXVBDHMKJ-HNNXBMFYSA-N 316.357 -0.129 30 20 DBED N#CCNC(=O)CN1CCC[C@@H](NC(=O)c2ncccn2)C1 1267619306 GSZNVVYWTZHELV-LLVKDONJSA-N 302.338 -0.689 30 20 DBED C=CCn1cc(CNC(=O)CCn2cc[nH]c(=O)c2=O)nn1 1326618101 UFGXPUVVBAMQQJ-UHFFFAOYSA-N 304.310 -0.979 30 20 DBED C[C@@H]1CCNC(=O)[C@H]1NC(=O)C(=O)Nc1cccc(C#N)n1 1326820261 KVRHAULHNFVTAM-KCJUWKMLSA-N 301.306 -0.467 30 20 DBED COC[C@@H](CO)NC(=O)C(=O)Nc1cccc(OCC#N)c1 1326904243 HWPIBDZVFOKATO-LLVKDONJSA-N 307.306 -0.349 30 20 DBED C=CCOCCNC(=O)C(=O)N[C@@H](COC)[C@@H]1CCCO1 1328145662 HLNZUQSRKYYHOX-RYUDHWBXSA-N 300.355 -0.385 30 20 DBED Cc1[nH]c2ccnn2c(=O)c1CC(=O)OCC(=O)NCCC#N 1328226934 UYFLNXREPDWUDC-UHFFFAOYSA-N 317.305 -0.553 30 20 DBED C=C[C@H]1CCCCN1C(=O)C(=O)N1CCN(C(=O)COC)CC1 1328548329 YQOWNPLHVBGGJZ-ZDUSSCGKSA-N 323.393 -0.129 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CCO[C@@H](C)[C@H]2C)nn1 1329222488 LYADPFXJUCLHFF-MNOVXSKESA-N 307.354 -0.284 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)N2CCN(C3CCC3)CC2)C1 1329451376 ATOIWVIXJVEWHP-INIZCTEOSA-N 320.393 -0.440 30 20 DBED C=CCOCCNC(=O)C(=O)N1CCCC[C@H]1CNC(C)=O 1329909155 QOSQXBUKNATMEL-ZDUSSCGKSA-N 311.382 -0.178 30 20 DBED C[S@](=O)CCNC(=O)C(=O)NCCc1ccc(C#N)cc1 1334072383 ZINBPGSRFPLSAI-NRFANRHFSA-N 307.375 -0.288 30 20 DBED C#C[C@H](C)NC(=O)Cn1nc(C(=O)N[C@@H](C)C#C)ccc1=O 1338449732 SWDOVDLJOYSKCZ-QWRGUYRKSA-N 300.318 -0.867 30 20 DBED CC#CCCNC(=O)C(=O)NCCS(=O)(=O)CC1CC1 1347094891 LOGJDVRIMJUXCE-UHFFFAOYSA-N 300.380 -0.543 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2[C@H](C)CN[C@@H](C)[C@H]2C)C1=O 1358176518 OYCIFVGHLYMZSB-OUAUKWLOSA-N 322.365 -0.440 30 20 DBED N#Cc1ccc(S(=O)(=O)NCC(=O)NC[C@H]2C[C@H](O)C2)cc1 1363894910 DHMBROPROKZZHE-HAQNSBGRSA-N 323.374 -0.276 30 20 DBED C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)[C@@H]1CC(=O)N(C)C1 1386713577 KQCLQJMQUFAYSG-GXSJLCMTSA-N 317.349 -0.401 30 20 DBED CC[C@@H](CNC(=O)c1cc(=O)n(C)cn1)NC(=O)[C@@H](C)C#N 1388117305 ZJRGFHUEFGKOER-UWVGGRQHSA-N 305.338 -0.435 30 20 DBED Cc1nc(CC(=O)NC[C@H]2CCCN2C(=O)[C@H](C)C#N)n[nH]1 1388363576 IMGGXRQQQJVBSM-MWLCHTKSSA-N 304.354 -0.078 30 20 DBED CC[C@H](CNC(=O)c1ncn(C)n1)NC(=O)c1c[nH]c(C#N)c1 1398942156 KCOJQTCHYIBRGM-SNVBAGLBSA-N 315.337 -0.047 30 20 DBED CC(C)n1ncnc1CN1CC(O)(CNC(=O)[C@@H](C)C#N)C1 1402322934 QFFUWAMDVXCPPF-NSHDSACASA-N 306.370 -0.318 30 20 DBED CC(C)c1cc(C(=O)NC[C@H](O)CNC(=O)[C@H](C)C#N)n(C)n1 1410164071 JGGXMGCEFFQZIB-GHMZBOCLSA-N 321.381 -0.090 30 20 DBED COCCN(CCNC(=O)Cc1ccn(C)n1)C(=O)[C@@H](C)C#N 1413496738 ATFLOWIKLFBSCM-LBPRGKRZSA-N 321.381 -0.287 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1C[C@H](NC[C@@H](O)Cn2cccn2)C1 1417781778 NPDWPMGRUSSFPB-XDQVBPFNSA-N 305.382 -0.112 30 20 DBED CNS(=O)(=O)[C@H]1CCCN(S(=O)(=O)CC(C)(C)C#N)C1 1423693969 IVJVFYOQPRBKRI-JTQLQIEISA-N 323.440 -0.120 30 20 DBED Cc1nccc(C(=O)N(C)C[C@@H](O)CNC(=O)[C@H](C)C#N)n1 1428202679 KUGUPVUNNNJHEX-KOLCDFICSA-N 305.338 -0.506 30 20 DBED C[C@H](C#N)C(=O)NCC1CN(C(=O)c2ccc3nn[nH]c3n2)C1 1432477863 XXXSQIBQPABMQV-MRVPVSSYSA-N 313.321 -0.299 30 20 DBED Cc1nc(C#N)cc(N(C)CC(=O)N[C@H]2CCS(=O)(=O)C2)n1 1434442870 PMSZQOAMIPKHLL-JTQLQIEISA-N 323.378 -0.604 30 20 DBED C[C@@H](C#N)C(=O)N(C)CC(C)(C)CN[C@@H](C)C(=O)NC(N)=O 1440871703 PKMGGPMVXBJBCN-UWVGGRQHSA-N 311.386 -0.196 30 20 DBED C[C@H](C#N)C(=O)N1CCC(NC(=O)CS(C)(=O)=O)CC1 1453782760 XIWWKZSHJKTOEL-SECBINFHSA-N 301.368 -0.702 30 20 DBED CCc1noc(COCC(=O)N(C)CCNC(=O)[C@H](C)C#N)n1 1455431794 GNWMMEXSZPVXDY-SNVBAGLBSA-N 323.353 -0.117 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@](C)(NC(=O)CCn1cnnn1)C1CC1 1457119058 CHNSOMYEFNVJJF-IINYFYTJSA-N 319.369 -0.376 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1cnn(C)c1C1CC1 1458021945 VNRTWNVJNQQXGX-KOLCDFICSA-N 319.365 -0.336 30 20 DBED C[C@@H]([C@@H](C)Nc1[nH]c(=O)n(C)c(=O)c1C#N)N1CCOCC1 1458163398 DRYDYANKNFWLLJ-ZJUUUORDSA-N 307.354 -0.534 30 20 DBED C[C@H]1CCCN(C(=O)Cn2cc(C#N)c(O)nc2=O)[C@H]1CCO 1469918564 VPATZRJOMBILPW-JQWIXIFHSA-N 320.349 -0.170 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CCN(C(=O)c2cc(C(N)=O)c[nH]2)C1 1495286269 TUDNSMXXDGCENC-NXEZZACHSA-N 317.349 -0.148 30 20 DBED CN(C[C@H](O)CNCc1cnsn1)C(=O)c1cc(C#N)c[nH]1 1507470933 ODLIFIIBDQEGCJ-LLVKDONJSA-N 320.378 -0.039 30 20 DBED Cc1cnc(C(=O)NC[C@@]2(O)CCN(C(=O)[C@H](C)C#N)C2)cn1 1537292700 OQCXLETZGREIHK-BMIGLBTASA-N 317.349 -0.362 30 20 DBED C#CCOCCC(=O)N(C)C[C@H](C)N=c1cc[nH]c(C(=O)O)n1 1573311583 ULCCSALHSNFALM-NSHDSACASA-N 320.349 -0.105 30 20 DBED CCn1cc(C#N)c(NC(=O)NC[C@@H](O)[C@@H](C)O)c1C(=O)O 1573844174 AGRYDQRJVUIDID-VXNVDRBHSA-N 310.310 -0.059 30 20 DBED C[C@H](C(=O)N[C@H]1CNCC2(CCOCC2)C1)n1cnc(C#N)n1 1575071185 XNODUBGVQOGEFL-VXGBXAGGSA-N 318.381 -0.014 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1[C@H]2CC[C@H]1CNC2 1579027078 ZRHBPKFYMOOPEN-RYUDHWBXSA-N 302.400 -0.471 30 20 DBED C#CC1(O)CCN(C(=O)NCCC(=O)NCCC(=O)O)CC1 1588380024 YGWOIGZCYJNXJT-UHFFFAOYSA-N 311.338 -0.863 30 20 DBED C[C@](C#N)(CC(=O)O)C(=O)NC[C@@]12COCCN1C(=O)OC2 1588557251 HZBMLETUFROLFQ-OLZOCXBDSA-N 311.294 -0.672 30 20 DBED C[C@@H](CNC(=O)[C@@H](C)C#N)Nc1cnc(-c2nn[nH]n2)cn1 1589849452 FOCWANFYMUXGJZ-YUMQZZPRSA-N 301.314 -0.267 30 20 DBED COC(=O)CN(CC(=O)O)C(=O)CNc1ccc(C#N)cn1 1606464591 FVTJWSQMSBSWAC-UHFFFAOYSA-N 306.278 -0.549 30 20 DBED N#Cc1ncn(CCNC(=O)N2CC[C@@H]3COC(=O)N[C@H]3C2)n1 1647236166 FGAZSSFTAFIBOY-ZJUUUORDSA-N 319.325 -0.710 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(CCNC(=O)[C@@H](C)C#N)CC1 1752363240 LZZHHDKEBGBSBY-UONOGXRCSA-N 321.425 -0.429 30 20 DBED C=CCNC(=O)CN1CCCC[C@@H]1CNC(=O)C(C)(C)C(N)=O 1752821832 UIATZAMUYDFEEG-GFCCVEGCSA-N 324.425 -0.229 30 20 DBED C=CCN1CC[C@@H](NCCN(C)C(=O)[C@H]2CCCN2C)C1=O 1753176427 PLJQNSNJNLIWIP-ZIAGYGMSSA-N 308.426 -0.085 30 20 DBED CC(C)N1CCCC[C@H]1C(=O)N(C)CCNCC(=O)NCC#N 1753241736 HLXBDRZPGJOGPH-AWEZNQCLSA-N 323.441 -0.063 30 20 DBED C#CCCN1CC[C@H](N(CC)C(=O)CN2C(=O)CN(C)C2=O)C1 1753462297 VIEPYYSVCUPYKJ-ZDUSSCGKSA-N 320.393 -0.174 30 20 DBED C#CCNC(=O)CN[C@@H](CC)CNC(=O)c1c(C)ncnc1O 1753482786 GKFZPVNBKZNODD-NSHDSACASA-N 319.365 -0.662 30 20 DBED C[C@@H](CNCC(=O)NCC#N)N(C)C(=O)c1cccc(O)n1 1753687288 KSPCDRCDDUAENJ-JTQLQIEISA-N 305.338 -0.523 30 20 DBED C#Cc1cncc(C(=O)N[C@H](C)CNCc2nc(=O)n(C)[nH]2)c1 1754241251 UKGGMIBRJIXMLL-SNVBAGLBSA-N 314.349 -0.607 30 20 DBED COCC#CCN1CC[C@H]1CNC(=O)[C@@H](C)N1C(=O)CCC1=O 1754484770 HQTXRAIPSOLSPY-OLZOCXBDSA-N 321.377 -0.636 30 20 DBED N#CCNC(=O)CN1CC[C@]2(CCN(C(=O)c3cnon3)C2)C1 1754567068 GWQXRQDRVCMRCT-AWEZNQCLSA-N 318.337 -0.753 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)c2cnn[nH]2)[C@@H](C)C1 1754597789 OPEUUMPWKANGHI-QWRGUYRKSA-N 306.370 -0.310 30 20 DBED CCn1nncc1C(=O)N1CCC[C@H]1CNCC(=O)NCC#N 1754610838 UDFRYKCMJVNEDX-NSHDSACASA-N 319.369 -0.868 30 20 DBED CC[C@@H](C)NC(=O)CN1CC[C@@](O)(CNC(=O)C#CC2CC2)C1 1754748447 IZUHAMMHUUHGNP-CXAGYDPISA-N 321.421 -0.133 30 20 DBED COc1ccc(CN2CC(O)(CNC(=O)C#CC(C)C)C2)nn1 1754768000 WRWYVHIJMOHYGW-UHFFFAOYSA-N 318.377 -0.193 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)N1C[C@@H]2CN(CCO)C[C@@H]2C1 1754844143 BFMVSVUIKVDVNQ-QLFBSQMISA-N 309.410 -0.160 30 20 DBED C#CCCN1CCC[C@@](CO)(NC(=O)CCc2nc[nH]n2)C1 1754853849 IGQPEYBKAHECOP-OAHLLOKOSA-N 305.382 -0.296 30 20 DBED CC#CCN1CC(CCO)(NC(=O)c2cn(C)nc2COC)C1 1755333161 YWBKWDIYHDLMHT-UHFFFAOYSA-N 320.393 -0.244 30 20 DBED C#CCNC(=O)CN1CC([C@@H](C)NC(=O)[C@H](C)OCC2CC2)C1 1755374147 JMSOYADKTWAAKK-OLZOCXBDSA-N 321.421 -0.013 30 20 DBED C#CCNC(=O)CN[C@@H](C)CN(C)C(=O)c1cc(OC)ns1 1755587803 LEMNVZDNBGOQCV-JTQLQIEISA-N 324.406 -0.049 30 20 DBED C#CCNC[C@@H](NC(=O)CN1CCCS1(=O)=O)C(C)(C)C 1755826015 ZHWCNDRVHNVNSX-GFCCVEGCSA-N 315.439 -0.224 30 20 DBED CN(C(=O)C#CC(C)(C)C)C1CC(NCC(=O)NC(N)=O)C1 1755856728 KFBTWPSBKVZYCI-UHFFFAOYSA-N 308.382 -0.190 30 20 DBED CC#CCCCC(=O)N[C@H](CO)CNC(=O)[C@@H]1CCC(=O)N1C 1756542889 JYLKJYDKTUYXFY-STQMWFEESA-N 323.393 -0.606 30 20 DBED C=CCOCC(=O)N1C[C@H](NC(=O)c2nnn(C)n2)C[C@H]1C 1756584515 SDZQZLQMZDOWJN-NXEZZACHSA-N 308.342 -0.868 30 20 DBED C#CCOCCC(=O)N1C[C@@H](NC(=O)Cn2cncn2)C[C@@H]1C 1756590224 OGJYQBZKHNUAAG-STQMWFEESA-N 319.365 -0.576 30 20 DBED C=C[C@H](CC)CC(=O)N1CCCO[C@@H](CNC(=O)C(N)=O)C1 1756842787 HFNJIYPWGTZOQW-NEPJUHHUSA-N 311.382 -0.192 30 20 DBED NS(=O)(=O)CCNN=Cc1ccc(OCCC(=O)O)cc1 1776047108 VGOCYSUAPOJLGE-UHFFFAOYSA-N 315.351 -0.248 30 20 DBED C[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3CC3)[C@H]2C1 1784387345 XXXGBGFOPMGKBG-UNQGMJICSA-N 320.389 -0.240 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cc(C)on1 1801282340 QXCGVSFOWKJDQS-DRXBFXEBSA-N 317.345 -0.252 30 20 DBED C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H]1CCC(=O)NC1)C2 1801595164 YBISUBCVLVERSM-RVMXOQNASA-N 303.362 -0.216 30 20 DBED C#CC(=O)N[C@@H]1CCc2nc(NC(=O)C(=O)N(C)C)sc2C1 1814631204 BWDRUOBBEXDDDG-MRVPVSSYSA-N 320.374 -0.224 30 20 DBED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@@H](C)CN)C2 1841599511 UHYHRJDTSOZADN-QWHCGFSZSA-N 307.394 -0.177 30 20 DBED C#CCN1CCN(S(=O)(=O)c2cnn([C@H]3CCOC3)c2)CC1 161509694 DNPMQWHKLNIYRO-ZDUSSCGKSA-N 324.406 -0.216 30 20 DBED CC[C@@H](CC#N)OC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 188049696 XFYVDXNWBXXVRK-VIFPVBQESA-N 319.321 -0.331 30 20 DBED C#CCNC(=O)[C@@H](NS(=O)(=O)c1ccc(C)cc1)[C@H](C)O 193822851 GQEKBEBQUWNQKZ-AAEUAGOBSA-N 310.375 -0.228 30 20 DBED C/N=C(/NC[C@@H]1CN(C)CCN1C)N[C@@H]1CN(C2CC2)C[C@H]1C 261960977 KDLHYHATUFVULJ-FVQBIDKESA-N 322.501 -0.120 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCCC[C@H]2CN)C1=O 262641687 SFZKMTBXJQOPSA-WDEREUQCSA-N 322.365 -0.403 30 20 DBED CCNC(=NCc1ccc(C(=O)NCC(N)=O)cc1)NCC 264121068 QZXTZZXYBRWMRD-UHFFFAOYSA-N 305.382 -0.023 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)NC[C@]2(O)CCOC2)cc1 270063804 CWCBEIZEAKLQLI-OAHLLOKOSA-N 303.318 -0.444 30 20 DBED CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H](O)CO 275569861 ATMHPNSDOPNTLU-NSHDSACASA-N 321.333 -0.247 30 20 DBED COC[C@@H](Nc1c(C#N)c(=O)n(C)c(=O)n1C)[C@@H]1CCCO1 278991102 DTSHDGZRBZUHKD-MNOVXSKESA-N 308.338 -0.438 30 20 DBED C=C[C@@H](CO)NC(=O)c1cccc(C(=O)N[C@H](C=C)CO)c1O 292851242 XYDBRSMZWXBVGP-PHIMTYICSA-N 320.345 -0.054 30 20 DBED CCOC(=O)CN(CC(N)=O)C(=O)Cc1ccc(C#N)cc1 299668431 ZEGJWCDTVRBYAD-UHFFFAOYSA-N 303.318 -0.022 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)NCCN1CCN(C)CC1 330416337 NYBLXPREENPRTN-GFCCVEGCSA-N 303.432 -0.698 30 20 DBED COCCN1CN(S(=O)(=O)N(C)C[C@@H](C)C#N)CC1=O 330417882 PLKSGKLHPUVZOK-JTQLQIEISA-N 304.372 -0.929 30 20 DBED CCOCCOC[C@H](O)CNS(=O)(=O)N(C)[C@H](C)CC#N 337832576 SUCUATQFSVDNMR-VXGBXAGGSA-N 323.415 -0.531 30 20 DBED CC(=O)NCC(=O)NCC(=O)N[C@@H](C)c1ccc(C#N)cc1 342541060 QDOUMRSYOFBGTB-JTQLQIEISA-N 302.334 -0.012 30 20 DBED CC[C@H](CO)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N 343705256 BTFNQHXUFQZUSL-SNVBAGLBSA-N 307.354 0.335 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H](C)[C@H]2CO)C1=O 349487907 PAFLGHRBXBJLBJ-GHMZBOCLSA-N 323.349 -0.417 30 20 DBED N#CCNS(=O)(=O)CCCS(=O)(=O)N[C@@H]1CC=CCC1 349590361 JIMCFMZJTOYLQC-LLVKDONJSA-N 321.424 -0.152 30 20 DBED CC[C@@H]1CN(CCNc2c(C#N)c(=O)n(C)c(=O)n2C)CCO1 362665254 OLAKZRWQZITVMG-LLVKDONJSA-N 321.381 -0.522 30 20 DBED C=CCN(CC(=O)OCC)C(=O)C1=NN(CCO)C(=O)CC1 376064654 CKNRXCBVJZOCMQ-UHFFFAOYSA-N 311.338 -0.465 30 20 DBED CS(=O)(=O)CC1(CNC(=O)N2CCO[C@H](C#N)C2)CC1 408342711 YYFXJUQAEZPLHR-SNVBAGLBSA-N 301.368 -0.255 30 20 DBED CC(C)(CC#N)CNC(=O)N1CCS(=O)(=O)[C@H](C(=O)O)C1 424400841 WAYDITDLIKZEML-VIFPVBQESA-N 317.367 -0.181 30 20 DBED COCC[C@H](NC(=O)CNc1ccc(C#N)cn1)C(=O)OC 428516993 TVKLKYLSEVSDIZ-NSHDSACASA-N 306.322 0.059 30 20 DBED N#Cc1ccnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)c1Cl 429200051 HAMQFAZULYGCDU-SECBINFHSA-N 305.725 -0.246 30 20 DBED CO[C@H](C)CS(=O)(=O)N(CCC#N)CCN1CCOCC1 442948727 VLSYJZSQTCEARN-CYBMUJFWSA-N 319.427 -0.101 30 20 DBED CCN(CCC#N)C(=O)CN(CCO)CCN1CCOCC1 444398802 KMPGXSMLZCXWDX-UHFFFAOYSA-N 312.414 -0.625 30 20 DBED CCN(CCC#N)C(=O)C(=O)Nc1ccn(CCN(C)C)n1 446862936 UKKXPYSCBMVHHS-UHFFFAOYSA-N 306.370 0.145 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N1CC[C@@H](CS(C)(=O)=O)C1 490474735 DSOUGEJHQLTMSO-GHMZBOCLSA-N 323.440 -0.168 30 20 DBED C#CCN1CCN(C(=O)CN2CCC3(CC2)OCCCO3)CC1 491166173 PPCJVFNQPLUSAK-UHFFFAOYSA-N 321.421 -0.007 30 20 DBED C=CCOC[C@@H](NC(=O)[C@H]1CCc2nnnn2CC1)C(=O)OC 573330102 FSQDEZXQBQUFNX-WDEREUQCSA-N 323.353 -0.514 30 20 DBED C[C@H]1CN(CCNC(=O)CNc2ccc(C#N)cn2)CCO1 579074157 GXKKLSWEJHMGCZ-LBPRGKRZSA-N 303.366 0.202 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1CCO[C@@H](OC)C1 590585709 HPSXHXYUKZBLHF-LLVKDONJSA-N 307.372 -0.602 30 20 DBED COC(=O)[C@@H]1C[C@@H](O)CN(S(=O)(=O)CC2(CC#N)CC2)C1 592120614 ZCAGZOUNIAYDNY-GHMZBOCLSA-N 316.379 -0.134 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)NC[C@](C)(CO)CC(=O)O 593270369 JGGRNQOJCDLSPO-MWLCHTKSSA-N 307.372 -0.614 30 20 DBED N#CCCN1CCN(C(=O)N[C@H]2CC(=O)N(C3CC3)C2)CC1 601579654 HVLULLKQEBTQFP-LBPRGKRZSA-N 305.382 -0.009 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(CC(=O)O)C2CCC2)C1=O 655590906 BANRJSOGIBMDCT-UHFFFAOYSA-N 323.305 -0.571 30 20 DBED C=CCOC[C@H]1NC(=O)N(Cc2nc(C(N)=O)cs2)C1=O 656846009 VESOQDSBIYUKRS-SSDOTTSWSA-N 310.335 -0.135 30 20 DBED C=C[C@@H]1OCC[C@H]1NC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1OC 661272291 TYMGEGNHPWXKHF-ZNSHCXBVSA-N 304.368 -0.559 30 20 DBED COCCNS(=O)(=O)c1cc(C(=O)NO)ccc1OC 671998812 ZJWWDPLQCLLKRH-UHFFFAOYSA-N 304.324 -0.261 30 20 DBED N#CCNC(=O)COC(=O)Cn1cnc2sccc2c1=O 731234903 LQFXGMLTAHIKBL-UHFFFAOYSA-N 306.303 -0.359 30 20 DBED C#CCCN1CCC(NC(=O)CN2C(=O)CN(C)C2=O)CC1 740737090 YCZKMAMOQARXGD-UHFFFAOYSA-N 306.366 -0.516 30 20 DBED CCNS(=O)(=O)CCNC(=O)C#Cc1ccc2c(c1)OCO2 762207623 CYGWFIOYQLMGCV-UHFFFAOYSA-N 324.358 -0.178 30 20 DBED C#C[C@H](NC(=O)C(=O)NC1CCN(CC)CC1)[C@H]1CCCO1 775035852 RXPHBRRHSQKRBN-UONOGXRCSA-N 307.394 -0.116 30 20 DBED COC(CN(CCCO)S(=O)(=O)N(C)[C@H](C)CC#N)OC 800933789 QAZFMBMIWXBKBD-LLVKDONJSA-N 323.415 -0.232 30 20 DBED CN(C)c1c(C=NNc2cnccn2)c(=O)n(C)c(=O)n1C 807961887 JYEYASVDISICEO-UHFFFAOYSA-N 303.326 -0.614 30 20 DBED C#C[C@@H](NC(=O)C(=O)N(C)CCN1CCOCC1)[C@@H]1CCCO1 809307256 BNPMIWNLVMBFHM-KGLIPLIRSA-N 323.393 -0.926 30 20 DBED COC(=O)[C@@H]1[C@H]2CN(S(=O)(=O)N(C)[C@@H](C)CC#N)C[C@H]21 813741738 KPMRZPJCROCFPH-UKKRHICBSA-N 301.368 -0.184 30 20 DBED C=C[C@H](O)C(=O)OCC(=O)Nc1c(C(=O)OCC)cnn1C 814541382 OLXPNIPPJQHHQL-VIFPVBQESA-N 311.294 -0.375 30 20 DBED C#CC[C@H](CO)NC(=O)c1cc(NS(C)(=O)=O)ccc1O 816672347 WZQYPSKSYDXSPJ-SNVBAGLBSA-N 312.347 -0.122 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CC23CCC3)CC1 831564636 CVRKGFMVCSICAJ-LBPRGKRZSA-N 311.407 -0.212 30 20 DBED N#C[C@H]1CNC[C@@H]1NC(=O)CSCC(=O)N1CCCCC1 834517479 VYMRWOVDFJQRGC-RYUDHWBXSA-N 310.423 -0.040 30 20 DBED CCOC(=O)CON=C(C(=O)N[C@@H]1CO[C@@H](C)C1)c1cc[nH]n1 844099622 OLZZLRDFIMOGLK-UWVGGRQHSA-N 324.337 -0.013 30 20 DBED C=C[C@H](C)ONC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 845640512 VUAUEYFHDAQREY-JTQLQIEISA-N 310.354 -0.375 30 20 DBED CN(CC(=O)N[C@@H]1CCCN(O)C1=O)c1ncnc2[nH]cnc12 848138054 JMRBZVRDJYLUPL-MRVPVSSYSA-N 319.325 -0.715 30 20 DBED C/N=C(/NCCCNc1ncccn1)NCCN1CCOCC1 849074019 XZXCVZQFMYBIMC-UHFFFAOYSA-N 321.429 -0.224 30 20 DBED C#CCCN(CCOC)C(=O)N[C@H](CC)CNS(C)(=O)=O 854104482 RWXGAEASSXZNMC-GFCCVEGCSA-N 319.427 -0.005 30 20 DBED CCOC(=O)CNC(=O)[C@@H]1COCCN1C(=O)C#CC(C)(C)C 854383135 WYYGUJDXJJCCSM-LBPRGKRZSA-N 324.377 -0.057 30 20 DBED C=C(Cl)C[C@@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)C(=O)O 864183912 JIOIEIPGWAFXJE-ZCFIWIBFSA-N 303.662 -0.102 30 20 DBED C=CCn1c(COC)nnc1N1C[C@H]2C(=O)N(C)C(=O)[C@H]2C1 871054451 SQZJDKGLBVKZGW-AOOOYVTPSA-N 305.338 -0.339 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N1CCCN(CC)C(=O)C1 875595430 BDHVKFGDXPCAOE-ZDUSSCGKSA-N 323.393 -0.388 30 20 DBED C#C[C@@H](NC(=O)C(=O)NC[C@@H]1C[C@@H]2CC[C@H](C1)N2)[C@@H]1CCCO1 884553303 VAGGBFSUKLRHJY-KHMAMNHCSA-N 319.405 -0.070 30 20 DBED C#CCCN1CCN(C(=O)CCCn2c(O)nnc2O)CC1 906484466 ZGHHOXJNKPREII-UHFFFAOYSA-N 307.354 -0.363 30 20 DBED C#CC1(O)CN(S(=O)(=O)CCC(C)(C)S(C)(=O)=O)C1 908229207 ARWBMXVRANYNFM-UHFFFAOYSA-N 309.409 -0.791 30 20 DBED C[C@H](C(=O)NCC#CCN(C)C)N1C(=O)NC2(CCCC2)C1=O 913518544 UEWOEDZOZONNRI-GFCCVEGCSA-N 320.393 -0.079 30 20 DBED C=C1CCC(C(=O)NC[C@@H]2CN(C(=O)C(N)=O)CCO2)CC1 944761726 KARQADHUAIWXNZ-GFCCVEGCSA-N 309.366 -0.438 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H](NC(=O)c2ccc(C(N)=O)[nH]2)C1 951872056 GFRSUDUSZIUNPJ-NXEZZACHSA-N 317.349 -0.006 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CN(C(=O)c2nnn(C)n2)C1 955367753 XCFWVLYCEKXOGU-MNOVXSKESA-N 320.353 -0.916 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](CNC(=O)c2cc(=O)n(C)cn2)C1 958148280 GYUXPYHEXUTHOD-OCCSQVGLSA-N 320.393 -0.231 30 20 DBED C#CCCN1C[C@H](O)[C@H](CNC(=O)c2coc(C(N)=O)c2)C1 958276619 HJMKCWKTNSJAAS-NEPJUHHUSA-N 305.334 -0.576 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2ccc(=O)n(CCC)n2)C1 958661409 JSMFALWFTDNJPG-OCCSQVGLSA-N 318.377 -0.691 30 20 DBED C=CCNC1CC2(C1)CC(NC(=O)c1cn(CC(N)=O)nn1)C2 965933299 XMATWAJTXKOBFW-UHFFFAOYSA-N 318.381 -0.420 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)[C@H]2C[C@@H]2C)C[C@@H]1O 968347964 HZNUNKFDJYQQGR-RMEBNNNOSA-N 319.405 -0.572 30 20 DBED CCn1cnc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)c1 969096809 WHLAQGNGJSJRTH-FOGDFJRCSA-N 305.338 -0.636 30 20 DBED C#CCCN1C[C@H]2CC[C@H]1CN2C(=O)Cn1ncn(C)c1=O 971538956 BNKYBKDUMIHYTK-QWHCGFSZSA-N 303.366 -0.720 30 20 DBED C=CCCN1C[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C(C)(C)C1 974600353 PTGZOZVVFXKKDS-NSHDSACASA-N 320.397 -0.220 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](CNC(=O)c2ccc(=O)n(C)n2)C1 983211418 JICCGHAWEXXKIH-MNOVXSKESA-N 317.349 -0.482 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](CNC(=O)c2cc(=O)n(C)o2)C1 983213988 GVYXBTROBCWWKC-ZJUUUORDSA-N 306.322 -0.284 30 20 DBED C[C@H](C(=O)NC1CN(C(=O)c2cc(C#N)c[nH]2)C1)n1cncn1 990915741 RXEXAXZCEDTTKF-SECBINFHSA-N 313.321 -0.320 30 20 DBED C=C(C)CNC1CCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)CC1 997053545 LYGMNKLSXCTJNS-UHFFFAOYSA-N 322.365 -0.436 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)CS(C)(=O)=O)C2)nc1 997088799 WFWJUFPSPGEALA-UHFFFAOYSA-N 321.358 -0.952 30 20 DBED C#Cc1ccccc1CC(=O)NC1CN(C(=O)c2cnnn2C)C1 997235863 LLJWHWAUGXALSW-UHFFFAOYSA-N 323.356 -0.020 30 20 DBED C=CCN1CC[C@H](NCC2CCN(C(=O)CC(N)=O)CC2)C1=O 997627199 PAUWRPGZNLCPDG-ZDUSSCGKSA-N 322.409 -0.523 30 20 DBED C#Cc1ccc(C(=O)N2CC(CNC(=O)c3[nH]nnc3C)C2)nc1 1003532804 XLVFXDFFNVFMQD-UHFFFAOYSA-N 324.344 -0.009 30 20 DBED C=C(C)C(C)(C)C(=O)N1CC(CNC(=O)[C@@H]2CNC(=O)N2)C1 1003950382 AOIKLGOJRXHDNR-NSHDSACASA-N 308.382 -0.155 30 20 DBED CN1C[C@H](C(=O)N2CCN(C(=O)C#CC3CC3)CC2)NC1=O 1011107411 FRIIIHCWFTXYJQ-GFCCVEGCSA-N 304.350 -0.906 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C(=O)c2cccn(C)c2=O)CC1 1011794443 KHSIXMWLRHLEOU-LLVKDONJSA-N 302.334 -0.171 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCN([C@H](CC)C(N)=O)C2)nn1 1015810876 SZOSCHLMXAFWCE-ZYHUDNBSSA-N 306.370 -0.468 30 20 DBED C=C(C)CCN1CC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C1 1016341212 KSCUOZYJCZLABQ-LLVKDONJSA-N 306.370 -0.466 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CCN(C(=O)c3cc(=O)n(C)o3)[C@@H]2C1 1021471771 QEDPDHVFABAAAH-OUAUKWLOSA-N 318.333 -0.189 30 20 DBED Cc1ncccc1C(=O)N[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1O 1025100350 IYYWKOXJNYESJR-OASPWFOLSA-N 302.334 -0.149 30 20 DBED C#CCN[C@@H]1CC[C@@H]2CN(C(=O)CN3CCCNC3=O)C[C@@H]21 1026301834 FKTSZUKKAFTPTQ-HZSPNIEDSA-N 304.394 -0.139 30 20 DBED C#Cc1cncc(C(=O)NC[C@@H]2CCN(CC(=O)NC)C2)c1 1028792166 DUOSABIIVMFXJN-ZDUSSCGKSA-N 300.362 -0.139 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2CCN1C(=O)CCC1=O 1029243303 YGPZZWUEABESNX-RWMBFGLXSA-N 318.377 -0.030 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN([C@H]2CCN(C)C2=O)C1 1030463871 YVAZFOCTDVSADF-KBPBESRZSA-N 304.394 -0.885 30 20 DBED N#CCN1CC(CNC(=O)c2cn(C[C@@H]3CCOC3)nn2)C1 1032083330 RJTDWEORNBSXNS-NSHDSACASA-N 304.354 -0.500 30 20 DBED C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)CCn1cc[nH]c(=O)c1=O 1032686233 KALBRIFWSXCLTE-STQMWFEESA-N 318.377 -0.212 30 20 DBED CN(C(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1)[C@H]1CCN(CC#N)C1 1033077368 QXGAKFAZVBCBQO-NEPJUHHUSA-N 316.365 -0.181 30 20 DBED COCCN1C[C@H](C(=O)N(C)[C@H]2CCN(CC#N)C2)CC1=O 1033130360 XDGUPBNXGRLIFG-OLZOCXBDSA-N 308.382 -0.462 30 20 DBED C#CCN1CCCC[C@H](NC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 1034322830 JRINXMBTXGQQLL-JSGCOSHPSA-N 315.377 -0.031 30 20 DBED CC(C)(C)n1nnc(C(=O)NC[C@@H]2CN(CC#N)CCO2)n1 1035381818 JLZPVMAQNPZJQO-SNVBAGLBSA-N 307.358 -0.618 30 20 DBED C#CCCN1CCO[C@H](CNC(=O)[C@@H]2CCC(=O)N(C)C2)C1 1035618351 ZOSYTWSAYSYARL-ZIAGYGMSSA-N 307.394 -0.305 30 20 DBED CC#CCN1CC2(CCN(C(=O)C[C@H]3CC(=O)NC3=O)CC2)C1 1035863123 YISQNAVGSSIEKU-CYBMUJFWSA-N 317.389 -0.013 30 20 DBED C=CCCC(=O)N1CC[C@@](O)(CNC(=O)C[C@@H]2CCNC2=O)C1 1040063420 DDEGLOZRNZOZPG-BLLLJJGKSA-N 323.393 -0.442 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)C2(N(C)C)CCC2)C1 1040114514 NELAFTJKCNCEEE-SWLSCSKDSA-N 322.409 -0.290 30 20 DBED C[C@H]1[C@@H](Nc2cnc(C#N)cn2)CCN1C(=O)[C@@H]1CNC(=O)N1 1040234960 XWTAAAYMWZLQHB-LSJOCFKGSA-N 315.337 -0.569 30 20 DBED C=CCCCC(=O)N1CC[C@@](O)(CNC(=O)c2cnn[nH]2)C1 1040268868 LGFKJTQPKSOEDM-CQSZACIVSA-N 307.354 -0.146 30 20 DBED CN1C[C@@H](C(=O)N2CC[C@@]3(CCCN(CC#N)C3)C2)NC1=O 1040327449 FWQFSFDWTBOWNS-SWLSCSKDSA-N 305.382 -0.152 30 20 DBED COc1nc(C(=O)NC[C@]2(O)CCN(C(=O)[C@H](C)C#N)C2)co1 1040370249 ATCPICVGVNADCV-YMTOWFKASA-N 322.321 -0.464 30 20 DBED C=CC(C)(C)C(=O)NC[C@]1(O)CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 1040487930 HACWORMWBJFFQE-OHUAYANFSA-N 323.393 -0.600 30 20 DBED Cc1nc[nH]c1C(=O)N1CC[C@@](O)(CNC(=O)[C@H](C)C#N)C1 1040769218 JKFIGCSJFZXVOI-YMTOWFKASA-N 305.338 -0.429 30 20 DBED Cc1c[nH]c(C(=O)N[C@@H]2CN(c3nccnc3C#N)C[C@H]2O)n1 1041377202 JPXLSLYNXDTXLH-GHMZBOCLSA-N 313.321 -0.641 30 20 DBED N#CCSCC(=O)NCC1(O)CN(C(=O)[C@@H]2CC23CC3)C1 1041570442 PHHJFBRWVGDDAS-JTQLQIEISA-N 309.391 -0.267 30 20 DBED Cc1ccc(=O)n(CC(=O)N2CC[C@@H]3CCN(CC#N)[C@H]3C2)n1 1042321373 DNDLMZLOROIDKI-KBPBESRZSA-N 315.377 -0.002 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@@H](C)CO2)C1 1043033334 XHLNCVLFKOZHDR-OLZOCXBDSA-N 324.377 -0.859 30 20 DBED CO[C@H](C(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1)C1CCC1 1044089673 VIJMWKFXODRIME-HNNXBMFYSA-N 320.389 -0.096 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1044224846 CUQAGVQDKJJDHQ-FQIARQCESA-N 319.361 -0.741 30 20 DBED C=C[C@H](C)[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2nc[nH]n2)C1 1044789276 KBFAVPIWEBBVEN-VHSXEESVSA-N 307.354 -0.434 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)c2cncc(F)c2)C1 1045541429 WMAAWHRRMAMBAJ-SECBINFHSA-N 306.297 -0.317 30 20 DBED CC1(NC(=O)C2CC3(C2)NC(=O)NC3=O)CCN(CC#N)CC1 1045584650 JHIDQNQUMHRDLZ-UHFFFAOYSA-N 319.365 -0.531 30 20 DBED C=C(C)CN1CC[C@](C)(NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 1046844529 QBNGGYJSTSWSOY-AAEUAGOBSA-N 301.412 -0.165 30 20 DBED C=C(C)CN1CC[C@@](C)(NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 1046844531 QBNGGYJSTSWSOY-WCQYABFASA-N 301.412 -0.165 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)Cn2nnnc2C(C)C)C1 1047557241 KJJIYHUMEHSPBP-STQMWFEESA-N 320.397 -0.677 30 20 DBED C=CCO[C@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)COC)C1 1048027087 KQACMIVMAMEPNH-WOPDTQHZSA-N 300.355 -0.746 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC2(F)F)C1 1048789076 BXRDDSCYLNLRPH-VWYCJHECSA-N 318.320 -0.126 30 20 DBED C=CCCN1CCOC[C@H]1CNC(=O)c1cc(=O)n(C)cn1 1050966697 VQLPQGQHJDBSCE-GFCCVEGCSA-N 306.366 -0.213 30 20 DBED C=CCN1CC2(C1)CN(C(=O)[C@H](C)S(C)(=O)=O)CCO2 1053310295 YBQRFYNNCMNNIS-NSHDSACASA-N 302.396 -0.481 30 20 DBED CCN1CCO[C@H](C(=O)NC[C@H]2CCC3(CN(CC#N)C3)O2)C1 1053699164 BURBAAJMPRAIAC-KGLIPLIRSA-N 322.409 -0.420 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)c3cc4n(n3)CCO4)CO2)C1 1053830766 LPKHYOCMAIHWEU-GFCCVEGCSA-N 316.361 -0.128 30 20 DBED N#Cc1cnccc1N1CCN(C(=O)C2CS(=O)(=O)C2)CC1 1055914146 MWHAXEHUUMXAPF-UHFFFAOYSA-N 320.374 -0.354 30 20 DBED C[C@H](C#N)C(=O)N[C@@]1(CO)CCCN(C(=O)c2ncc[nH]2)C1 1056092701 CRRQHNPIBGBEHL-YGRLFVJLSA-N 305.338 -0.347 30 20 DBED CN1CCC[C@@H]1C(=O)NC1[C@@H]2CN(c3nccnc3C#N)C[C@@H]12 1056149571 MPSJDINQJMVWGI-NQBHXWOUSA-N 312.377 -0.007 30 20 DBED N#Cc1nccnc1N1C[C@H]2[C@H](NC(=O)Cn3nccn3)[C@H]2C1 1056315663 HBLHMVNCCLVRTD-IWIIMEHWSA-N 310.321 -0.809 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)C1(C(=O)NC)CC1 1057171171 QXZFBIGXIZZVCG-UHFFFAOYSA-N 311.382 -0.584 30 20 DBED C#CCO[C@H](C)C(=O)NCCN(CCO)C(=O)c1cc[nH]c1 1057843042 GZTRVXMZCQPMGZ-GFCCVEGCSA-N 307.350 -0.396 30 20 DBED C=C(C)C[C@@H](C)C(=O)NCCN(CCO)C(=O)c1cnn(C)n1 1058095627 PAQJOLBWGCFEPR-GFCCVEGCSA-N 323.397 -0.032 30 20 DBED N#Cc1nccnc1N1CCC[C@H](NC(=O)[C@H]2CCC(=O)N2)C1 1058127087 ILITVAXACANOGF-WDEREUQCSA-N 314.349 -0.288 30 20 DBED N#Cc1nccc(N2CCC[C@H](NC(=O)[C@@H]3COC(=O)N3)C2)n1 1058152657 YBNFMGTVNLSSOD-UWVGGRQHSA-N 316.321 -0.458 30 20 DBED CC[C@@H](C(=O)N(CCO)CCNC(=O)C#CC(C)C)N(C)C 1058168863 YOWSWHSZGKBGTF-AWEZNQCLSA-N 311.426 -0.077 30 20 DBED CN1CCOC[C@H]1C(=O)N[C@H]1CCN(c2ccc(C#N)cn2)C1 1058319491 VSJYUNHTIYQCIA-KBPBESRZSA-N 315.377 -0.021 30 20 DBED C=C1CC(C)(C(=O)N(CCO)CCNC(=O)c2cnn(C)n2)C1 1058769988 OWFIJAYYVXSKQZ-UHFFFAOYSA-N 321.381 -0.278 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)[C@H]1CN(C)C[C@@H]1C 1058849443 UHYVJKOPPGJRQV-GJZGRUSLSA-N 323.437 -0.219 30 20 DBED O=C1NC[C@@H](C(=O)NCC[C@@H]2CCN(C(=O)C#CC3CC3)C2)N1 1059622738 OQWNXATVLTVVSZ-OLZOCXBDSA-N 318.377 -0.564 30 20 DBED N#Cc1ccc(N[C@H]2C[C@@H](NC(=O)[C@@H]3CNC(=O)N3)C2)cn1 1059802474 FLHPCOOXGYTLMY-TUAOUCFPSA-N 300.322 -0.306 30 20 DBED Cn1nnc(C(=O)N2CC[C@@H](CCNC(=O)C#CC3CC3)C2)n1 1060147237 OZVBMWMMCPNTMA-GFCCVEGCSA-N 316.365 -0.408 30 20 DBED O=C(C#CC1CC1)NCC[C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 1060259255 WFUIAWFJJDHMIX-QWHCGFSZSA-N 318.377 -0.564 30 20 DBED N#Cc1nccnc1N[C@@H]1CC[C@H]2CN(C(=O)CC(N)=O)C[C@H]21 1060523202 LEHFVJRZZULHMT-HBNTYKKESA-N 314.349 -0.127 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CC[C@H](NC(=O)[C@H](C)NC(N)=O)CC1 1060718350 ZZRWJUMLZAXAQI-BJDJZHNGSA-N 323.397 -0.006 30 20 DBED C=CCCC(=O)N1CCOC[C@@H]1CNC(=O)CS(C)(=O)=O 1061380290 HXUGCWIZDXMEEB-NSHDSACASA-N 318.395 -0.659 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H]1COCCN1C(=O)/C(C)=C\C 1061514977 HDZCMYDKRAYLIE-QWGHSUKYSA-N 321.377 -0.564 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)Cc1ccn(C)n1 1061576306 JYMMOBBRAAYIBX-YPMHNXCESA-N 319.365 -0.534 30 20 DBED Cn1cnc(C(=O)NC[C@H]2CCN(c3ccnc(C#N)n3)C2)n1 1061583156 QIOFIAYOUFCSPY-SNVBAGLBSA-N 312.337 -0.267 30 20 DBED Cc1nccn1CC(=O)NC[C@@H]1COCCN1C(=O)[C@@H](C)C#N 1061598872 GVMNXYRSLAZLRW-WCQYABFASA-N 319.365 -0.305 30 20 DBED N#Cc1ccc(N2CC[C@H](CNC(=O)[C@H]3CNC(=O)N3)C2)cn1 1061717785 JNRYGIBGVOUTDU-ZWNOBZJWSA-N 314.349 -0.423 30 20 DBED Cc1nccn1CC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H](C)C#N 1061852798 MQAPMKAKWJWRPE-AAEUAGOBSA-N 319.365 -0.305 30 20 DBED N#Cc1nccnc1N1[C@H]2CC[C@H]1CN(C(=O)c1cnn[nH]1)C2 1062054536 HAWDECCYHIENIR-UWVGGRQHSA-N 310.321 -0.040 30 20 DBED C#CCOCCC(=O)N1CCCC[C@@H]1CNC(=O)CNC(C)=O 1062210448 QENFCTXYQVFQLS-CQSZACIVSA-N 323.393 -0.340 30 20 DBED N#Cc1ccc(N2C[C@@H]3C[C@H]2CN3C(=O)CCc2cnn[nH]2)nn1 1062584590 RPAYEABAVXPXJF-STQMWFEESA-N 324.348 -0.111 30 20 DBED C=CCOCC(=O)NCC1(NC(=O)c2nnn(C)n2)CCC1 1062704576 PUXAMPSOJQJVCM-UHFFFAOYSA-N 308.342 -0.819 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)c2ncn(C)n2)CCO1 1065115485 JBVDEMIGAINEGE-LBPRGKRZSA-N 319.365 -0.424 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@H]1CCCN(C(=O)CC(N)=O)CC1 1066267976 QYHDRAMHOYISBX-RYUDHWBXSA-N 311.382 -0.050 30 20 DBED N#Cc1nccnc1N1C[C@H]2[C@H](CNC(=O)c3cnon3)[C@H]2C1 1068180317 HDECXODQGQRENV-OWUUHHOZSA-N 311.305 -0.157 30 20 DBED C=CCOCC(=O)N1CC2(C1)CN(C(=O)C(F)F)CCO2 1068263729 ZRJUWUCSQZOLMY-UHFFFAOYSA-N 304.293 -0.106 30 20 DBED C=CCOCC(=O)N[C@@H]1COC2(C1)CN(C(=O)COCC=C)C2 1068763840 CYXJFUMJIOQQIC-ZDUSSCGKSA-N 324.377 -0.122 30 20 DBED C=CCCOCC(=O)N1CCC(CC)(NC(=O)C(N)=O)CC1 1069437654 GICFEIOTFMJZPD-UHFFFAOYSA-N 311.382 -0.048 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2ccnn2CC)C1 1069915264 VFOLFCJPJFFQCJ-OCCSQVGLSA-N 313.365 -0.217 30 20 DBED CC#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2nc(C)c[nH]2)C1 1070049574 SRRDSORQMQQHQU-OLZOCXBDSA-N 313.365 -0.012 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)c2ncc[nH]2)CCOCC1 1070106592 PSBMORSBEXLQKI-SNVBAGLBSA-N 305.338 -0.035 30 20 DBED C=C(C)CN[C@@H]1CN(C(=O)c2cnnn2C)C[C@@H]1n1ccnn1 1070186521 BPMDQLIKTJAQMI-YPMHNXCESA-N 316.369 -0.362 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)[C@@H]4CCC(=O)N4C)C[C@@]3(C1)O2 1070836196 QDBHAZDMAGGUEB-VWPFQQQWSA-N 317.389 -0.458 30 20 DBED C=C(C)CN1C[C@H]2C[C@@H]3CN(C(=O)[C@H]4CNC(=O)N4)C[C@@]3(C1)O2 1070844556 GSFGECMHBWWCFL-BRXULGCHSA-N 320.393 -0.454 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)Cc2ccn(C)n2)CC1 1070963151 DDIUGOWEHGPMMQ-UHFFFAOYSA-N 319.409 -0.201 30 20 DBED C[C@@H]1CC[C@@H](NC(=O)Cn2ccc(O)nc2=O)CN1CC#N 1071659323 IJWDSCRGIJHHJW-GHMZBOCLSA-N 305.338 -0.558 30 20 DBED C[C@H](C(N)=O)N1CCCO[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 1073576179 ZBRAGDXHUPZSEO-ZWNOBZJWSA-N 319.365 -0.419 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)c3cn(C)c(=O)n3C)C[C@@H]21 1074415172 LWLBNMMMOOTNGO-GXTWGEPZSA-N 318.377 -0.728 30 20 DBED C=CCOCC(=O)N1CC[C@@H](NC(=O)c2nnn(C)n2)C[C@@H]1C 1075109108 CSTKFIKYGHEIRL-WDEREUQCSA-N 322.369 -0.478 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)c1cc[nH]c1 1076220099 PBWBQJZKDZXBBN-NSHDSACASA-N 304.350 -0.221 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3nc(C)nn3C2)C1 1077430238 DFAJTNXCTXJPQN-JHJVBQTASA-N 305.382 -0.504 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCCS2(=O)=O)C1 1077451230 ALLDTURJMOXGKA-YNEHKIRRSA-N 314.407 -0.862 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)c2ccc3nc(O)[nH]c3n2)C1 1077576389 LZVMZRRDBGTKJS-VXGBXAGGSA-N 315.333 -0.538 30 20 DBED CCN(C(=O)CNC(N)=O)C1CN(C(=O)c2ccc(C#N)[nH]2)C1 1079279544 KEPIAECOQLIXTJ-UHFFFAOYSA-N 318.337 -0.772 30 20 DBED CCN(C(=O)C#CC1CC1)C1CN(C(=O)[C@@H]2CN(C)C(=O)N2)C1 1079742919 QIULMRUDMBZHEN-ZDUSSCGKSA-N 318.377 -0.517 30 20 DBED C#CCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)[C@@H]2CCC(=O)N2)C1 1079776381 GMOULCZIJHUULY-AAEUAGOBSA-N 321.377 -0.637 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)Cn2nccn2)C1 1079848147 MPKJQRCAWWWQKE-LBPRGKRZSA-N 321.381 -0.072 30 20 DBED C=CCCC(=O)NC1(CO)CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 1080768535 ZOCGQRTVZBRPJG-NSHDSACASA-N 324.381 -0.896 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN([C@@H](C)C(N)=O)C[C@H]2C)nc1 1080807938 AIIJZFKIMRHLTI-UHIISALHSA-N 300.362 -0.013 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CO)(NC(=O)c2cnn[nH]2)CC1 1080909562 XXVUYAFUJVNSBA-VIFPVBQESA-N 306.326 -0.952 30 20 DBED CC(C)(F)C(=O)NC[C@@H]1CN(C(=O)CSCC#N)C[C@H]1O 1081170451 YYTBYNJLNJBACX-NXEZZACHSA-N 317.386 -0.073 30 20 DBED C#CCCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2cncnc2)C1 1081424226 BSXQKUNKVKBWIG-ZIAGYGMSSA-N 316.361 -0.171 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)c2cncnc2)C[C@H]1O 1081442529 VZIJDVDVQXIYBO-ZIAGYGMSSA-N 316.361 -0.171 30 20 DBED Cc1ocnc1C(=O)N1C[C@@H](O)[C@H](CNC(=O)C#CC2CC2)C1 1081471143 JTDXNDLKHBREES-CHWSQXEVSA-N 317.345 -0.054 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)Cc2cncn2C)C1 1081619167 XQSPYWJFRPOSLS-GXTWGEPZSA-N 320.393 -0.136 30 20 DBED C#CCCCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2cnon2)C1 1081684685 JFIZTTBCUQQFPN-DGCLKSJQSA-N 320.349 -0.188 30 20 DBED C=CCCCC(=O)NC[C@H]1CN(C(=O)c2cnnn2C)C[C@H]1O 1081702295 DHTZIBDNMZNKOR-WCQYABFASA-N 321.381 -0.280 30 20 DBED C#CCN1C[C@@H](NC(=O)c2cn([C@@H]3CCOC3)nn2)[C@H](OC)C1 1082310367 MFXZVKDXBKOCHQ-YRGRVCCFSA-N 319.365 -0.698 30 20 DBED C=CCN1CC[C@H](N[C@@H]2CN(C(=O)c3cnn[nH]3)C[C@H]2C)C1=O 1082614265 ZVLOSXALRMYTBU-NTZNESFSSA-N 318.381 -0.358 30 20 DBED C=CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CC[C@@H](C(N)=O)C1 1083194074 VBSQTAWBZIRGQD-ZOBORPQBSA-N 307.394 -0.014 30 20 DBED C=CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CCN(C(C)=O)C1 1083260489 DFAKUQFRMYKRFD-QLFBSQMISA-N 307.394 -0.048 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN([C@H]3CCCNC3=O)C[C@@H]2O)C1 1083762649 NSAXLYJAISVMLV-AGIUHOORSA-N 307.394 -0.217 30 20 DBED Cn1cc(C(=O)N2C[C@H]3CCN(CC#N)C[C@H]3C2)n(C)c1=O 1088214934 JCUGVPKWJKWUAF-NEPJUHHUSA-N 303.366 -0.359 30 20 DBED C=C(C)CCN1CC[C@@H](NC(=O)c2cc(=O)n(C)cn2)[C@H](O)C1 1090336530 IQUIARVWAMJNJV-TZMCWYRMSA-N 320.393 -0.089 30 20 DBED C=CCN1CC[C@@H](NC(=O)c2nc(OC)cc(OC)n2)[C@@H](O)C1 1090364227 UXPJXFBSOKGKOK-MNOVXSKESA-N 322.365 -0.155 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2ccn(C)c(=O)c2)[C@@H](O)C1 1090368941 UAQDHFLCGFVONR-KGLIPLIRSA-N 303.362 -0.426 30 20 DBED N#Cc1cnc(N2C[C@@H](O)[C@H](NC(=O)CC(N)=O)C2)c(Cl)c1 1090387398 KRJFDBSIXWAGML-NXEZZACHSA-N 323.740 -0.852 30 20 DBED N#CCSCC(=O)N[C@@H]1CN(c2nccnc2F)C[C@H]1O 1090394427 KABISFJFWUSEJA-RKDXNWHRSA-N 311.342 -0.462 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cc(OC)nc(OC)c2)[C@@H](O)C1 1090396295 ISSCXJCUWHBYJN-STQMWFEESA-N 319.361 -0.103 30 20 DBED CC[C@@H](C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1O)N(C)C 1090455444 VWNNOVMAOQYFBX-GRYCIOLGSA-N 318.381 -0.646 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2nccn3ccnc23)[C@H](O)C1 1090580796 LRBSFQYOWHGIIR-QWHCGFSZSA-N 313.361 -0.082 30 20 DBED CC#CCN1CC[C@H](NC(=O)Cn2ccc(C)cc2=O)[C@H](O)C1 1090611165 ZIVQUQRMIWIWGU-LSDHHAIUSA-N 317.389 -0.269 30 20 DBED C=CCN1CC[C@@H](NC(=O)c2ccc(C(=O)NC)nc2)[C@H](O)C1 1090734112 JTIWPUWVQCBHSI-TZMCWYRMSA-N 318.377 -0.208 30 20 DBED C#CCN1CC[C@H](NC(=O)Cc2ccc(C(N)=O)cc2)[C@H](O)C1 1090840862 GVERUGWQPDRPSZ-LSDHHAIUSA-N 315.373 -0.487 30 20 DBED CNC(=O)NCCC(=O)N1CCN(c2cnc(C#N)cn2)CC1 1093153392 FABATLJBEYVFBR-UHFFFAOYSA-N 317.353 -0.684 30 20 DBED CCc1nc(C#N)cc(NCCNC(=O)Cn2cnnn2)n1 1093506453 SQNPPIAKJMVLHQ-UHFFFAOYSA-N 301.314 -0.875 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)c3oc(C)nc3C)CC2=O)C1 1094716082 VIQSHVCSJTXDEM-GFCCVEGCSA-N 316.361 -0.060 30 20 DBED COC1CC(C(=O)N[C@H]2CC(=O)N(C3CN(CC#N)C3)C2)C1 1094749706 RGEFLDYQIQCFNJ-AKJDGMEZSA-N 306.366 -0.664 30 20 DBED C[C@@]1(C(=O)N[C@H]2CC(=O)N(C3CN(CC#N)C3)C2)CCCOC1 1094802457 ARMRQHBHYWIWGC-BLLLJJGKSA-N 320.393 -0.272 30 20 DBED Cc1cc(=N[C@H]2CCCN(C(=O)CNC(N)=O)C2)c(C#N)c[nH]1 1095274880 WVMACJRFWJAJCP-LBPRGKRZSA-N 316.365 -0.245 30 20 DBED C[C@H](NC(N)=O)C(=O)NC1CCN(c2nccnc2C#N)CC1 1095408850 MVPIALUGLYJXGE-VIFPVBQESA-N 317.353 -0.510 30 20 DBED CN1C[C@@H](C(=O)NCCCN(C)c2ncccc2C#N)NC1=O 1095696808 MTUMEOSRUKQRAO-LBPRGKRZSA-N 316.365 -0.081 30 20 DBED CNC(=O)CCCC(=O)N[C@H]1CCN(c2cnc(C#N)cn2)C1 1096363309 SWJMWDGLVYOIRW-NSHDSACASA-N 316.365 -0.041 30 20 DBED C=C(C)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cn(CC(N)=O)nn1 1096605435 OWLVFTRUCSSBNQ-MDZLAQPJSA-N 318.381 -0.325 30 20 DBED C=CCO[C@H](C)C(=O)N1CCC(N(CCO)CCO)CC1 1098577289 HNWPROWRIRPWCN-CYBMUJFWSA-N 300.399 -0.145 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)[C@H]1CCNC1=O)C[C@H](C)O2 1098619272 AKQHUOMOJGSASI-KBPBESRZSA-N 319.405 -0.162 30 20 DBED C=C(C)CCC(=O)N1CC[C@H](n2cc(CNCC(N)=O)nn2)C1 1098680405 GIXSYOSVFFENNJ-ZDUSSCGKSA-N 320.397 -0.017 30 20 DBED C=CCNCc1cn([C@H]2CCN(C(=O)[C@H]3CNC(=O)N3)C2)nn1 1098705173 AFRDZLXACPNWDJ-NWDGAFQWSA-N 319.369 -0.992 30 20 DBED COCC#CCN1C[C@@H]2[C@@H]3CC[C@@H](CN3C(=O)CC(N)=O)[C@H]2C1 1099431642 RCFWXNAYRAIBSU-XGUBFFRZSA-N 319.405 -0.320 30 20 DBED CN(CCNC(=O)CC(N)=O)c1cc(C#N)ccc1[N+](=O)[O-] 1099970894 OYCZSEZDIWIONX-UHFFFAOYSA-N 305.294 -0.106 30 20 DBED CCN(CCNC(=O)Cn1cnnc1O)c1cncc(C#N)n1 1100498266 ZNNDDBZOMNHAIL-UHFFFAOYSA-N 316.325 -0.712 30 20 DBED COCC#CCNC1CC(CNC(=O)CCn2cnnn2)C1 1100783553 NMHAFCSHAGPZDF-UHFFFAOYSA-N 306.370 -0.803 30 20 DBED COC(=O)NCC(=O)N[C@H]1CC2(CN(CC#N)C2)n2ccnc21 1101609123 UIKZSGPIJCJDIO-JTQLQIEISA-N 318.337 -0.665 30 20 DBED CN(C(=O)CNC(N)=O)[C@@H]1CCN(c2ccc(C#N)nc2)C1 1102668304 IHZQYJZZJDMRED-GFCCVEGCSA-N 302.338 -0.341 30 20 DBED CC[C@@H](CNC(=O)[C@@H]1COCCN1C)Nc1ccc(C#N)nn1 1103036179 HMLAYTBFGVSYBW-AAEUAGOBSA-N 318.381 -0.014 30 20 DBED CC[C@H](CNC(=O)[C@@H]1CNC(=O)N1)N=c1cc[nH]cc1C#N 1103277691 NJELTUVXZYTGTQ-PWSUYJOCSA-N 302.338 -0.637 30 20 DBED CNC(=O)NCCC(=O)N(C)[C@H](C)CN=c1cc[nH]c(C#N)n1 1104547362 UGKNTFCXXCJYEV-SNVBAGLBSA-N 319.369 -0.652 30 20 DBED C=CCCC(=O)N1CC(n2cc(CNCCOCCO)nn2)C1 1105183594 VKXVRBXPGLFUDE-UHFFFAOYSA-N 323.397 -0.274 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC(n3cc(CNCCO)nn3)C2)c1 1105207453 VDGROTPHXGBVNA-UHFFFAOYSA-N 315.337 -0.743 30 20 DBED Cc1ncc(CC(=O)NC[C@H](O)CN=c2cc[nH]cc2C#N)o1 1106003602 FBUHBKFNLWISBY-GFCCVEGCSA-N 315.333 -0.197 30 20 DBED C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C[C@H]1CNCC#N 1106660862 DPZLQGYVHAVDAN-YIYPIFLZSA-N 322.409 -0.170 30 20 DBED C=CCN1CC(n2cc(CNC(=O)CCn3cncn3)nn2)C1 1107127351 ZHCSDGNHSHKFAY-UHFFFAOYSA-N 316.369 -0.381 30 20 DBED N#CCSCC(=O)NCc1cn(C2CN(CC#N)C2)nn1 1107129835 RKPFZIUKZFMQNV-UHFFFAOYSA-N 305.367 -0.469 30 20 DBED CCNC(=O)CC(=O)NC/C=C\CNc1nccnc1C#N 1107131483 QZQSAHHYFLTMGR-ARJAWSKDSA-N 302.338 -0.041 30 20 DBED N#Cc1nc(=NC/C=C/CNC(=O)CCc2nc[nH]n2)cc[nH]1 1107147176 JZUHBWHXVOODER-OWOJBTEDSA-N 312.337 -0.395 30 20 DBED C=C[C@@](C)(O)CC(=O)NCc1cn(C2CN(CC#N)C2)nn1 1107164092 PGJSHRONLNNZKZ-CQSZACIVSA-N 304.354 -0.398 30 20 DBED N#Cc1cncc(NC/C=C\CNC(=O)[C@H]2CNC(=O)N2)n1 1107493024 XHYZXRCZODKASI-JWXWKVPASA-N 301.310 -0.886 30 20 DBED Cc1nsc(NC[C@@H](C)NC(=O)Cn2ncnn2)c1C#N 1107943360 PNNAYGLZOUVUOK-SSDOTTSWSA-N 306.355 -0.074 30 20 DBED CCN1CCOC[C@H]1C(=O)N[C@H](C)CNc1nccnc1C#N 1107994980 VVWDHHLXXWGQPI-YPMHNXCESA-N 318.381 -0.014 30 20 DBED CCC(=O)N1CC[C@@H](C(=O)NC[C@]2(C)CN(CC#N)CCO2)C1 1108328007 YRKKOVDOLFVIHO-CZUORRHYSA-N 322.409 -0.024 30 20 DBED C#CCN1CCN(C(=O)CCOCC)[C@@H]2CS(=O)(=O)C[C@@H]21 1108463644 RFLNSOWWPTWZDO-QWHCGFSZSA-N 314.407 -0.644 30 20 DBED C[C@@H](CNc1cnc(C#N)cn1)NC(=O)[C@]1(C)CNC(=O)C1 1108610354 FFUDFKQRUQGSMI-XPTSAGLGSA-N 302.338 -0.209 30 20 DBED CC(C)(C(N)=O)C(=O)N[C@H]1[C@H]2C[C@H]1N(c1ccnc(C#N)n1)C2 1109728132 HYFPHZYSBIWGEB-SBMIAAHKSA-N 314.349 -0.447 30 20 DBED C=C[C@](C)(O)CC(=O)N(CCO)CCN=c1cc[nH]c(C#N)n1 1111467169 ZHIYQBDSXGWRRR-HNNXBMFYSA-N 319.365 -0.670 30 20 DBED COC(=O)NCC(=O)N1C[C@H](C)[C@H](Nc2nccnc2C#N)C1 1112298097 ODANUAGFLKKHMJ-GXSJLCMTSA-N 318.337 -0.037 30 20 DBED C#CCNC[C@]12CCC[C@H]1CN(C(=O)C[C@H]1CC(=O)NC1=O)C2 1112594116 LUQODWSGDXBDHC-IGCXYCKISA-N 317.389 -0.109 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(c2ncc(F)cn2)C[C@H]1O 1112702408 RHBQOSOOEZPHGH-CMPLNLGQSA-N 310.329 -0.268 30 20 DBED COC[C@H](C)OC[C@H](O)CN1CCN(C(=O)C#CC2CC2)CC1 1112824934 LVWWQCUJWDTEMT-GOEBONIOSA-N 324.421 -0.044 30 20 DBED COCCOCC(=O)NC[C@@H](C)N(C)c1cncc(C#N)n1 1113539340 NCHHXCPHYMZOPW-LLVKDONJSA-N 307.354 -0.048 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)C3CCOCC3)[C@H]2C1 1113769154 HVGUPXHCYAHFEF-STQMWFEESA-N 307.394 -0.238 30 20 DBED C[C@@H]1CCN(c2cnc(C#N)cn2)C[C@H]1NC(=O)CNC(N)=O 1113996913 BVQMCIVULCHRMD-MWLCHTKSSA-N 317.353 -0.652 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3cnn(CC)c3)[C@H]2C1 1114059009 YSNGVTUKDZDXTD-NHAGDIPZSA-N 317.393 -0.135 30 20 DBED N#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3ccsn3)[C@H]2C1 1114447647 SIMHFNMIIZQYMC-IUCAKERBSA-N 305.363 -0.557 30 20 DBED N#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)C3(F)CCCC3)[C@H]2C1 1114502375 SYQDIOBGUJGONY-PJXYFTJBSA-N 308.357 -0.045 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)[C@H]3CCNC(=O)CC3)[C@H]2C1 1114619145 QYIXNUBRGZZXMQ-NYTXWWLZSA-N 319.405 -0.401 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)CN3CCC[C@@H]3C)[C@@H]2C1 1114832412 QZVDPUFZIABSBA-BFHYXJOUSA-N 320.437 -0.181 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)CN(C)C(C)C)[C@@H]2C1 1115304884 WQCVKKIXFOXZEY-CHWSQXEVSA-N 306.410 -0.878 30 20 DBED C[C@@H](CN(C)C(=O)CN1CCOCC1)Nc1ccc(C#N)nn1 1115677804 FRLZXXCLEJKYIN-LBPRGKRZSA-N 318.381 -0.061 30 20 DBED COCC#CC(=O)N[C@H]1CCCN(CCN2CCOCC2)C1 1119678527 HVHCVXPANDNWRJ-HNNXBMFYSA-N 309.410 -0.451 30 20 DBED C=CCNC(=O)Cn1nnnc1N1CCOC2(CCOCC2)C1 1120071051 ZLGWRUVOBCJOLJ-UHFFFAOYSA-N 322.369 -0.639 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)Cc2cncnc2)nn1 1121411431 FJGQWPBWMHHYLC-GFCCVEGCSA-N 313.321 -0.730 30 20 DBED C=CCn1c(C2=NNC(=O)C2)nnc1N1CCN(C(C)=O)CC1 1121663040 KADBNXJOCHOLQP-UHFFFAOYSA-N 317.353 -0.643 30 20 DBED CN(C)[C@@H](C(=O)NC[C@H](CO)Nc1cncc(C#N)n1)C1CC1 1122152200 CMZHTVYLTNLKBE-TZMCWYRMSA-N 318.381 -0.423 30 20 DBED COCCCNC(=O)[C@H](C#N)C(=O)[C@H]1CCCN(C(N)=O)C1 1122708408 VUYWBXVJHJXTEN-WDEREUQCSA-N 310.354 -0.361 30 20 DBED CCC(=O)NCC(=O)N1C[C@@H](N=c2cc[nH]c(C#N)n2)C[C@@H]1C 1123172663 YJKOAQNCONXNDX-QWRGUYRKSA-N 316.365 -0.302 30 20 DBED CO[C@@H](C)CCC(=O)N(C)C[C@H](O)CN=c1cc[nH]c(C#N)n1 1124329900 VMVQUYOPEYUBCK-NWDGAFQWSA-N 321.381 -0.184 30 20 DBED C#CCNC(=O)CC(=O)NCCNCC(=O)N1CCCCCC1 1125977714 DSOJIBPAANLLFB-UHFFFAOYSA-N 322.409 -0.766 30 20 DBED C#CCO[C@H](C)C(=O)NCCNC[C@H]1CCS(=O)(=O)C1 1127045576 DZODTEHYHDOPLU-VXGBXAGGSA-N 302.396 -0.835 30 20 DBED N#Cc1cnc(N2CCC(C3(NC(=O)C(N)=O)CC3)CC2)cn1 1127140215 NOKRFSBOADNTRD-UHFFFAOYSA-N 314.349 -0.301 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)CO[C@H]2CCOC2)C1=O 1127143113 YXLLZOWLVWYERP-QWHCGFSZSA-N 311.382 -0.715 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)[C@@]12COC[C@@H]1C2 1127753904 RBZLZPMYFRUBRE-BBRMVZONSA-N 307.394 -0.071 30 20 DBED COC[C@@H](O)CN1CCn2ncc(CNC(=O)[C@H](C)C#N)c2C1 1128265041 RXKPVXFLHBSNAN-YPMHNXCESA-N 321.381 -0.518 30 20 DBED C#CCN1CCn2ncc(CNC(=O)CO[C@@H]3CCOC3)c2C1 1128350489 AEKZEHWUBBCFDB-CQSZACIVSA-N 318.377 -0.246 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1 1128962270 RIIASAKJJNBTHH-MBNYWOFBSA-N 304.354 -0.530 30 20 DBED C#CCOCCC(=O)N1C[C@@H]2C[C@@H]3CN(CC#N)C[C@]2(C1)O3 1131227253 KUILZFVYSPAYIK-SQWLQELKSA-N 303.362 -0.148 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)[C@@H]1C[C@@H](C)CO1 1131536994 SPMNAODCXAUYIL-OLZOCXBDSA-N 310.398 -0.121 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1cn(C(C)C)cn1 1131811987 AHAYDAUKCRUZAW-LBPRGKRZSA-N 305.382 -0.079 30 20 DBED COCC#CCNCCNC(=O)c1cncc(-n2ccnn2)c1 1131837107 PDZNPXKQOBIFCK-UHFFFAOYSA-N 314.349 -0.369 30 20 DBED CNC(=O)NCC(=O)N[C@H]1CC[C@H](C)N(CC#CCOC)C1 1132090176 DRWLBPAWXZZFTC-STQMWFEESA-N 310.398 -0.466 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)CCc1nc(C)no1 1132121217 KHTLFBYHXOJZIW-JTQLQIEISA-N 307.354 -0.846 30 20 DBED C#CCCN1C[C@@H](NC(=O)CNS(=O)(=O)NC)CC[C@@H]1C 1132199305 HKLZQKFKEPYCOB-RYUDHWBXSA-N 316.427 -0.967 30 20 DBED N#CCNC(=O)CNCCNC(=O)[C@H]1CCCc2cccnc21 1132733421 BQIHESQPLFQQGA-ZDUSSCGKSA-N 315.377 -0.153 30 20 DBED CC#CCNC[C@H]1CN(C(=O)c2nnc(O)nc2O)CC[C@@H]1C 1132953688 GWYWWVRLKUNFIL-QWRGUYRKSA-N 319.365 -0.006 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NCCNCc1cnnn1C 1134817302 TXNHKMFQTRDUAN-ZDUSSCGKSA-N 308.386 -0.508 30 20 DBED C=CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)Cc1nc[nH]n1 1135906731 FEWCSNDWUCDWIC-QWRGUYRKSA-N 308.386 -0.478 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)C23CCN(CC2)C3)C1=O 1147977128 KEJURMITAWGUHI-CYBMUJFWSA-N 306.410 -0.425 30 20 DBED C#Cc1ccc(C(=O)NCCNCC(=O)NCCOCC)nc1 1148370196 MPWUYKOIXBNRAV-UHFFFAOYSA-N 318.377 -0.465 30 20 DBED C#Cc1ccc(C(=O)NCCN[C@@H]2CCC(=O)NC2=O)nc1 1148370360 ULGTUODLFSCVTN-GFCCVEGCSA-N 300.318 -0.813 30 20 DBED C#CCNC(=O)CN1CCCO[C@H](CNC(=O)[C@H](C)C2CC2)C1 1149473743 PBCJGKHOETVCKB-UKRRQHHQSA-N 321.421 -0.011 30 20 DBED COCC#CCN1CCCO[C@H](CNC(=O)Cn2nccn2)C1 1149797642 ZDSJXJZBJVULAU-CQSZACIVSA-N 321.381 -0.865 30 20 DBED COCC#CCNCCNC(=O)c1ccc(CNC(N)=O)cc1 1150571569 RIXMSQLFPZXCPR-UHFFFAOYSA-N 318.377 -0.176 30 20 DBED C#CCNC(=O)CNCCNC(=O)COCc1ccccc1 1150747569 SGYYBIAZTBUSOE-UHFFFAOYSA-N 303.362 -0.342 30 20 DBED C=CCNC(=O)CN(CC)[C@H](C)CNC(=O)CCn1ccnn1 1153030253 ATTJKRZMFQMKGQ-CYBMUJFWSA-N 322.413 -0.203 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)c1cnnc(C)c1 1153030770 MCURSCQKQNVXBW-CYBMUJFWSA-N 317.393 -0.025 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)[C@H](C)n1cncn1 1156805652 IPXZGWVBECICMW-NEPJUHHUSA-N 308.386 -0.374 30 20 DBED C#CCNC(=O)CNCCCNC(=O)C1CCN(C(C)C)CC1 1169949051 ZSBXEYLCTHOGHD-UHFFFAOYSA-N 322.453 -0.048 30 20 DBED CC#CCNCCCNC(=O)Cn1nc2n(c1=O)CCCC2 1170371126 WCEZALPBAZTZQN-UHFFFAOYSA-N 305.382 -0.500 30 20 DBED C=CCNC(=O)CNCCCNC(=O)C(=O)N1CC[C@H](C)C1 1170653063 OLFCSWARUVWDBL-LBPRGKRZSA-N 310.398 -0.747 30 20 DBED C#CCCCC(=O)N1CC[C@@H]2OCCN(CC(=O)NC)[C@@H]2C1 1177006173 MGCFTUDFKRRZGY-KGLIPLIRSA-N 307.394 -0.162 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2ncoc2C)C1 1181347711 KQAFMCICUNCDRH-ZYHUDNBSSA-N 304.350 -0.075 30 20 DBED C=CCNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CCOC2)C1 1181412942 RZMVGBQYKAKKON-NWDGAFQWSA-N 324.381 -0.775 30 20 DBED C#CCNC(=O)CNC[C@H]1CCN(C(=O)c2ncc[nH]2)C[C@H]1C 1184310102 ACWFUFPNCYNHOW-CHWSQXEVSA-N 317.393 -0.153 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H](n2cc(CNCC(N)=O)nn2)C1 1185900146 RSGKMVKSZLZYGE-PWSUYJOCSA-N 319.369 -0.824 30 20 DBED C=CCCn1cc(C(=O)N2CC[C@@H](N[C@H](C)C(=O)NC)C2)nn1 1186221141 IAVFRCZSWJVBKS-VXGBXAGGSA-N 320.397 -0.207 30 20 DBED C#CCOCCC(=O)N1CC[C@H]2CN(CC(=O)NC3CC3)C[C@H]21 1187874590 XHHABLDYPJOMQQ-DZGCQCFKSA-N 319.405 -0.162 30 20 DBED COCC#CCN(C)[C@@H]1CCN(C(=O)[C@@H](C)S(C)(=O)=O)C1 1190957483 RSGVHKJSBDHWAY-CHWSQXEVSA-N 316.423 -0.398 30 20 DBED C=C(C)CCC(=O)N[C@@H]1CN(C[C@@H](O)Cn2cccn2)C[C@H]1O 1193376616 GZASFKCMNYGXPI-RBSFLKMASA-N 322.409 -0.238 30 20 DBED C=CCO[C@H](C)C(=O)N1CC[C@H](N(C)CC(=O)NC(N)=O)C1 1194397714 YNTIYIPGBVODGI-MNOVXSKESA-N 312.370 -0.695 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCCN(C(=O)c2cnnn2C)CC1 1195691007 BYMKOBOVTTWKLT-GFCCVEGCSA-N 320.397 -0.346 30 20 DBED COCC#CCN1CCCN(C(=O)[C@H]2CCN(C)C2=O)CC1 1196830203 IWFJRLFLQMSBGR-AWEZNQCLSA-N 307.394 -0.351 30 20 DBED CCS(=O)(=O)NCC(=O)N[C@H]1C[C@H](NCC#N)C12CCC2 1202996644 SFUMBDZZQFPRDA-QWRGUYRKSA-N 314.411 -0.534 30 20 DBED C=CCNC(=O)CN[C@H]1C[C@H]2CC[C@H]1N(C(=O)CC(N)=O)C2 1204143665 QFYFXSPTPOELGX-GRYCIOLGSA-N 308.382 -0.867 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)CN(C)C(C)=O)[C@H](C)C1 1206114655 BAYCJUOFTZDEGF-MBNYWOFBSA-N 324.425 -0.408 30 20 DBED N#CCNCC1CCN(C(=O)[C@H]2CCc3nnnn3CC2)CC1 1206346176 AOZBJMCPHUQXFS-ZDUSSCGKSA-N 317.397 -0.023 30 20 DBED C=CCN(CC=C)C(=O)CN1C[C@@H](NC(=O)CC(N)=O)[C@H](C)C1 1206726342 JRBBSMSJYXRVCR-CHWSQXEVSA-N 322.409 -0.501 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)[C@@H](OC)C2CC2)[C@H](C)C1 1206922633 SINREHYYKASBRQ-KYOSRNDESA-N 307.394 -0.403 30 20 DBED COCC#CCN1C[C@@H](NC(=O)[C@]2(C)CCNC(=O)C2)[C@H](C)C1 1207686819 OSCXJAXVYJLVHO-CKEIUWERSA-N 321.421 -0.011 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)c2[nH]c(C)nc2C)C1 1209679163 QUABXSRWQGXHFF-CYBMUJFWSA-N 317.393 -0.030 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)c2cnn(C)c2)[C@H](OC)C1 1211825842 XYZGFSFWKGHESU-CHWSQXEVSA-N 321.381 -0.849 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)COC1CCN(C)CC1 1213628925 CXZLAHJZALNRPP-ZIAGYGMSSA-N 310.398 -0.564 30 20 DBED COCC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)COC(C)C 1217451195 VATSUXZFJRBHJW-LSDHHAIUSA-N 310.394 -0.027 30 20 DBED COCCOCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H](C)C#N 1217533600 YAJGRNWRITTZHR-HZSPNIEDSA-N 311.382 -0.279 30 20 DBED C#CCNC(=O)CC(=O)N1CCO[C@@H]2CN(CC(C)C)C[C@@H]21 1217684606 RQAMGFSOTBFJKA-UONOGXRCSA-N 307.394 -0.307 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)CCOCC2CC2)C1 1219616899 KWVURBPCQBIRAM-CABCVRRESA-N 310.394 -0.386 30 20 DBED C=CCCCN1C[C@H](O)[C@H](NC(=O)C2CCN(C(N)=O)CC2)C1 1220935732 SXPPAYUOVFNICS-KGLIPLIRSA-N 324.425 -0.095 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@H](C)NC(=O)C2CCC2)C1 1221185613 PDDSCQJUMUBVBC-YUTCNCBUSA-N 307.394 -0.524 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@H]2CCN(Cc3cnn(C)n3)C[C@H]21 1221539340 WCYIKMQQVCPGFZ-UMVBOHGHSA-N 317.393 -0.114 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)c2ccnn2C)CC1 1226403654 JCZOTVLKKYSNQA-UHFFFAOYSA-N 303.366 -0.636 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)[C@H]2C[C@H]2C(=O)OC)CC1 1226471540 PRJSUHDEBXPMMW-QWHCGFSZSA-N 321.377 -0.875 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C1(C(N)=O)CC1 1228312092 BIIWOGRTUAGJHI-VXGBXAGGSA-N 320.393 -0.982 30 20 DBED N#CCNC(=O)CN1CCC(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 1229269980 GVWDEMKOWRBCNZ-MCIONIFRSA-N 320.393 -0.226 30 20 DBED Cn1cccc1C(=O)NCC[C@H]1CN(CC#N)CCS1(=O)=O 1230419775 MMVDSTOCWKYHHL-LBPRGKRZSA-N 324.406 -0.232 30 20 DBED C#CCN1CCS(=O)(=O)[C@@H](CCNC(=O)[C@H](F)CC)C1 1230480917 IYYZOFKQNAYAAH-NWDGAFQWSA-N 304.387 -0.027 30 20 DBED C#CCN1CCS(=O)(=O)[C@@H](CCNC(=O)c2ccncn2)C1 1230512916 YNONVXDAAMZMIX-LBPRGKRZSA-N 322.390 -0.671 30 20 DBED Cc1cc(C(=O)N(C)C[C@H]2CCN2CC(=O)NCC#N)n[nH]1 1230900265 SFIVSQJDTTZCSB-LLVKDONJSA-N 304.354 -0.496 30 20 DBED C=CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)[C@H](C)NC(=O)CC 1234490808 SKOPPJMZHFHAPW-QWHCGFSZSA-N 324.425 -0.264 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC[C@H]1CN(C)C(=O)C(C)(C)C(N)=O 1235589272 PPIPZWZULWIOSS-NEPJUHHUSA-N 324.425 -0.279 30 20 DBED C#CCNC(=O)[C@H](C)N(C)CCCNC(=O)c1cnc(C)[nH]1 1235805190 IFNKDFFXCWSUGR-NSHDSACASA-N 305.382 -0.092 30 20 DBED O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)N1CCCC1 1256779753 NZELROAYIVCFCG-QXMHVHEDSA-N 306.322 -0.749 30 20 DBED CO[C@@H]1CS(=O)(=O)C[C@H]1NS(=O)(=O)CCCCC#N 1261580313 NXSQQCLHLFTVSC-NXEZZACHSA-N 310.397 -0.588 30 20 DBED C=CCOCCNC(=O)C(=O)N1CCO[C@@]2(CCO[C@@H]2C)C1 1261582552 WMUJOHDGLROBHE-DOMZBBRYSA-N 312.366 -0.288 30 20 DBED COC(=O)CCNC(=O)C(=O)Nc1cc(C)nn1CCC#N 1319558075 NDMGEZXLAVIEQL-UHFFFAOYSA-N 307.310 -0.277 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](CO)CC(F)F)C1=O 1320760352 IFTCIRZINNBHAA-SSDOTTSWSA-N 319.264 -0.905 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)CCc1c(C)ncnc1O 1322767929 DFLVJKUOKWEKED-UHFFFAOYSA-N 322.321 -0.022 30 20 DBED C[C@H](CNC(=O)C(=O)NCc1ccc(C#N)cc1)S(C)(=O)=O 1322950792 ODTZMTCFHVUDLR-SNVBAGLBSA-N 323.374 -0.276 30 20 DBED C#CCCCNC(=O)C(=O)NCc1ccc(-n2cncn2)nc1 1323621544 WRCXWDJABRAIAY-UHFFFAOYSA-N 312.333 -0.192 30 20 DBED O=C(NCC#Cc1ccccc1)C(=O)NC[C@H]1COCCO1 1325451441 YFFVTMCZURVJSN-AWEZNQCLSA-N 302.330 -0.314 30 20 DBED C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1326107754 NFFOSYBMNNRJJF-BBRMVZONSA-N 322.409 -0.146 30 20 DBED N#Cc1ccc(NC(=O)C(=O)NCCCN2CCOCC2)nc1 1326698991 SYUSSOSFTUOQNN-UHFFFAOYSA-N 317.349 -0.270 30 20 DBED C[C@@H]1COCCN1CCNC(=O)C(=O)N[C@@H]1CC[C@H](C#N)C1 1326719361 VDOBZGFNVMIDOG-FRRDWIJNSA-N 308.382 -0.368 30 20 DBED CCN(CCNC(=O)C(=O)N1CC[C@](O)(CC#N)C1)C1CC1 1329331409 VSGUPBYAYQXOHC-OAHLLOKOSA-N 308.382 -0.536 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3[C@@H](C2)C3(F)F)CCN1C1CC1 1329455029 RYLTXTSEZILYMQ-IJLUTSLNSA-N 324.331 -0.091 30 20 DBED N#CC1(NC(=O)CN2CCC[C@@H](n3cc(CO)nn3)C2)CCC1 1330333650 HMEKPZLUGPVGLG-CYBMUJFWSA-N 318.381 -0.030 30 20 DBED NC(=O)c1cnc(C(=O)N[C@@H]2CCCN(O)C2=O)c(Cl)c1 1332906458 HMYRVXQVXDLOOD-MRVPVSSYSA-N 312.713 -0.056 30 20 DBED C=CCN1CC[C@@H](N(C)c2nnnn2C[C@H]2CCOC2)C1=O 1333728907 GZPDIUKIWZJZBK-VXGBXAGGSA-N 306.370 -0.067 30 20 DBED C#CCN(C)CCCNC(=O)NC[C@@H](C)N1CCN(C)CC1 1351994365 AKLQBZSKMYGVAG-OAHLLOKOSA-N 309.458 -0.123 30 20 DBED N#Cc1cc(F)c(C(=O)N2CCN(CC(N)=O)C(=O)C2)c(F)c1 1362719209 XQOOKXFQCSJLHW-UHFFFAOYSA-N 322.271 -0.394 30 20 DBED N#Cc1cnn2c(O)cc(CN3CCC(O)(CO)CC3)nc12 1364752812 BPYWHIRXNDFSNQ-UHFFFAOYSA-N 303.322 -0.374 30 20 DBED C=C(Cl)CN[C@H](C)[C@H]1CN(C(=O)Cn2ncnn2)CCO1 1369143178 FPNWWBMQHOEARG-GHMZBOCLSA-N 314.777 -0.369 30 20 DBED CCCN(CCNC(=O)[C@@H]1CC(=O)N(C)C1)C(=O)[C@H](C)C#N 1374136210 OVQVKEZXQRMHIV-VXGBXAGGSA-N 308.382 -0.021 30 20 DBED CC(=O)NCC(=O)N1CCC(CN(C)C(=O)[C@H](C)C#N)CC1 1374496781 LBCRPSFZHKBFIQ-LLVKDONJSA-N 308.382 -0.021 30 20 DBED C[C@H](CN(C)C(=O)Cn1cnnn1)NC(=O)c1ccc(C#N)[nH]1 1383647035 FWSWKDSFTUHVSA-SECBINFHSA-N 316.325 -0.850 30 20 DBED CCc1cc(C(=O)N(C)C[C@H](O)CNC(=O)[C@H](C)C#N)n[nH]1 1384190832 YCZINHOAXMHPTM-MWLCHTKSSA-N 307.354 -0.319 30 20 DBED C[C@H](C#N)C(=O)N1CCN(CCNC(=O)[C@H]2CCCO2)CC1 1385521173 VLGVYNUPDSSDMA-CHWSQXEVSA-N 308.382 -0.415 30 20 DBED C[C@@H](C#N)C(=O)N(C)C[C@@H]1CCN(C(=O)CCNC(N)=O)C1 1387616198 DVGRTKNJVHHETJ-QWRGUYRKSA-N 309.370 -0.489 30 20 DBED CNC(=O)NCC(=O)N1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 1407772996 MNEMJGBHLXHJNB-JTQLQIEISA-N 318.337 -0.854 30 20 DBED CC[C@@H](CNS(C)(=O)=O)NC(=O)Cc1noc(C)c1C#N 1412146025 IPCHHCMYEXBTLO-VIFPVBQESA-N 314.367 -0.159 30 20 DBED COCC(=O)N(C)CC(=O)N(C)C[C@@H](C)NC(=O)[C@H](C)C#N 1412555699 FSKBYRVQTYORQD-GHMZBOCLSA-N 312.370 -0.786 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CCN(C(=O)c2coc(C(N)=O)c2)C1 1414806675 YJEHVHCGWNTIJY-WPRPVWTQSA-N 304.306 -0.131 30 20 DBED CC(C)N1CC[C@H](CNC(=O)Cn2cc(C#N)c(O)nc2=O)C1 1433632481 SGNLQDOGFXHBAT-LLVKDONJSA-N 319.365 -0.333 30 20 DBED N#Cc1cc(C(=O)N2CC[C@H]2CNC(=O)Cc2nc[nH]n2)c[nH]1 1433820734 HNHGEATYVNZYDO-NSHDSACASA-N 313.321 -0.422 30 20 DBED CC1=C(C(=O)NCc2ccnc(C#N)c2)Cn2nnnc2N1C 1433963352 YQHKKEFPUUZPQS-UHFFFAOYSA-N 310.321 -0.020 30 20 DBED C[C@H](NC[C@H](O)CNC(=O)c1cc(C#N)c[nH]1)C(=O)N(C)C 1438982514 ORKHGXTURDDQPG-ONGXEEELSA-N 307.354 -0.957 30 20 DBED Cn1nnnc1CN[C@@H](CNC(=O)c1cc(C#N)c[nH]1)C1CC1 1441181018 COJWOKUVWFQVBR-LBPRGKRZSA-N 314.353 -0.292 30 20 DBED COCC(=O)N(C)CC(=O)N[C@H]1C[C@@H](CNC(=O)[C@H](C)C#N)C1 1445954247 HRPXLHFOBUFQJI-UTUOFQBUSA-N 324.381 -0.738 30 20 DBED C[C@H](C#N)C(=O)N1CCCCC[C@@H]1CNC(=O)Cn1ncnn1 1450288226 LIMVVNPPIBRDJC-VXGBXAGGSA-N 319.369 -0.280 30 20 DBED CNC(=O)NCC(=O)N1CC2(CCCN(C(=O)[C@H](C)C#N)C2)C1 1487386521 YXVSGEWXLSORTM-LLVKDONJSA-N 321.381 -0.474 30 20 DBED CCO[C@@H](CC)C(=O)NC[C@@H](O)CNC(=O)c1ccc(C#N)[nH]1 1501446998 VBMKMWABSIFFME-AAEUAGOBSA-N 322.365 -0.092 30 20 DBED C#CCOCCN(C)C(=O)[C@H](CO)NC(=O)c1cccc(F)n1 1529435989 GFBKBWNLDOQSKU-LBPRGKRZSA-N 323.324 -0.580 30 20 DBED N#Cc1nc(NC(=O)CCN2CC[C@H](F)C2)[nH]c1-c1nn[nH]n1 1570921764 NTHHLLPTACAUOF-ZETCQYMHSA-N 319.304 -0.166 30 20 DBED C#CC[C@@]1(C(=O)N[C@H](C)c2nnc3c(=O)[nH]ccn23)CCCN1 1574517048 KNHUCLBQTVRDPX-BMIGLBTASA-N 314.349 -0.260 30 20 DBED O=C(CCN/C(O)=C1/N=CC=CC1=O)N[C@H]1COC2(CNC2)C1 1580536394 MQHUWVLBSDJKEC-YAWLZAOSSA-N 320.349 -0.850 30 20 DBED N#Cc1c(-c2nn[nH]n2)ncn1Cc1coc(S(N)(=O)=O)c1 1581860834 VFEDLYVGPVRGFH-UHFFFAOYSA-N 320.294 -0.776 30 20 DBED C#CCNC(=O)CN1C[C@H](C(=O)O)C[C@H](c2cnn(C)c2)C1 1588431514 ZOLICBZULANIHW-NWDGAFQWSA-N 304.350 -0.340 30 20 DBED O=C(O)c1nc(Cl)ccc1S(=O)(=O)NCC#CCO 1602568306 GSBWKISMWZAMHX-UHFFFAOYSA-N 304.711 -0.293 30 20 DBED C=C(C)C[C@H](NS(=O)(=O)N1CCC[C@H]1C(=O)O)C(=O)OC 1602709516 FMVRVHWESUSFDP-UWVGGRQHSA-N 320.367 -0.122 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCNc1cncc(-c2nn[nH]n2)n1 1602982598 YVMPAWFFZAMFIP-QMMMGPOBSA-N 301.314 -0.313 30 20 DBED CCN1CCC[C@H](Nc2cnc(C#N)c(-c3nn[nH]n3)n2)C1=O 1604340984 PQNHZTIRSAXPIW-QMMMGPOBSA-N 313.325 -0.049 30 20 DBED C#CCNC(=O)CN(C)CCCNC(=O)c1snnc1CC 1752016946 IEYCRYWRJORCGW-UHFFFAOYSA-N 323.422 -0.098 30 20 DBED COCC#CCN1CCC2(CC1)C[C@@H]2NC(=O)[C@@H]1CCC(=O)N1 1752435782 SAVKXHFZAVWGKF-KBPBESRZSA-N 319.405 -0.115 30 20 DBED COCC#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1n[nH]c(C)n1 1752534494 KUDYMHPEYBFZPX-OKILXGFUSA-N 317.393 -0.019 30 20 DBED N#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@H]3CC[C@@H](F)C3)[C@H]2C1 1752845647 ZQKQUUIYPZOJML-SVPLCASGSA-N 308.357 -0.189 30 20 DBED C=CCNC(=O)CN(C)CCNC(=O)CNC(=O)C(C)(C)C 1753073811 NENJLNGBTWNXIE-UHFFFAOYSA-N 312.414 -0.501 30 20 DBED N#CCNC(=O)CN1CC[C@H](CNC(=O)Cc2cc[nH]n2)C1 1753123337 BLWUVHQASOGIMK-LLVKDONJSA-N 304.354 -0.970 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC(NC(=O)c2ccc(C#C)cn2)C1 1753392026 HSTDLJYEVBHVIJ-GFCCVEGCSA-N 310.357 -0.385 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C[C@H]1CN2C(=O)c1cnoc1CC 1753424591 DLUDQPMGNNLYEK-RYUDHWBXSA-N 316.361 -0.115 30 20 DBED N#CCNCC1(NC(=O)CC[C@@H]2NC(=O)NC2=O)CCCC1 1753510598 WQNFNJKZBWWZNF-JTQLQIEISA-N 307.354 -0.483 30 20 DBED C#CCNC(=O)[C@@H](C)NC/C=C/CNC(=O)c1coc(C)n1 1754114914 MGNDORDKOZCLKB-MVIFTORASA-N 304.350 -0.003 30 20 DBED C[C@H](C(=O)NCC1(NCC(=O)NCC#N)CC1)c1cnn(C)c1 1754537078 LSUZNFFIHKIHTR-NSHDSACASA-N 318.381 -0.598 30 20 DBED Cc1cccc(C(=O)N(C)C2CN(CC(=O)NCC#N)C2)n1 1754568817 ICTRRIOXZQIYSJ-UHFFFAOYSA-N 301.350 -0.214 30 20 DBED Cc1cc(=O)oc(C)c1C(=O)NC[C@]1(O)CCN(CC#N)C1 1754752690 NTBFQASXCNOWLW-OAHLLOKOSA-N 305.334 -0.053 30 20 DBED COc1c(O)nc(O)nc1C(=O)N1CC[C@@H]([C@@H](C)NCC#N)C1 1754805909 VCPJALBDXSGANV-RKDXNWHRSA-N 321.337 -0.140 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1COCCN1CC(=O)NC(C)C 1754967730 NZRCGEQSKDJXID-CQSZACIVSA-N 309.410 -0.013 30 20 DBED C#CCNCC1(O)CCN(C(=O)[C@H](OC)[C@H]2CCOC2)CC1 1755151489 HKNBRWROGIFSKF-UONOGXRCSA-N 310.394 -0.386 30 20 DBED C#Cc1ccc(C(=O)NC[C@H](CO)NCC(=O)NC(C)C)cc1 1755634866 QKEBXHPHBQIQEG-OAHLLOKOSA-N 317.389 -0.127 30 20 DBED N#CCN[C@@H](CO)CNC(=O)Cn1c(O)nc2ccccc21 1755641311 YZMKJYLAUZXNLL-SNVBAGLBSA-N 303.322 -0.668 30 20 DBED C=CCNC(=O)CNC1CC(N(C)C(=O)C[C@@H]2CCC(=O)N2)C1 1755862549 OOXMBQYJEZSNCO-HIFPTAJRSA-N 322.409 -0.464 30 20 DBED CC(=O)N(C)CC(=O)N1C[C@H]2C(CNC(=O)C#CC3CC3)[C@@H]2C1 1756198252 PFPAPKLOZNOLTI-GJZGRUSLSA-N 317.389 -0.301 30 20 DBED C=C1CCC(C(=O)N[C@H](CO)CNC(=O)Cn2cnnn2)CC1 1756507085 VALVVFJEWNOFRG-LBPRGKRZSA-N 322.369 -0.987 30 20 DBED C=CCCC(=O)NC[C@H](CO)NC(=O)Cn1ccc(C)cc1=O 1756508592 YDRXNVAMYONWTE-CYBMUJFWSA-N 321.377 -0.284 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H](CO)NC(=O)C1CCCC1 1756529782 HOUAKAGIQFURJJ-CABCVRRESA-N 321.421 -0.133 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](CO)NC(=O)c1ccnnc1 1756549976 KQELPGASJQCQJC-UPJWGTAASA-N 320.349 -0.725 30 20 DBED C#CCOCCC(=O)NC[C@H](O)CN(C)C(=O)c1ccncc1 1756652851 XRFWAUNNPXRGLJ-AWEZNQCLSA-N 319.361 -0.329 30 20 DBED CC(C)C#CC(=O)N(C)C[C@@H](O)CNC(=O)Cn1ccnc1 1756662213 JTNFPGWSFLLDMH-ZDUSSCGKSA-N 306.366 -0.522 30 20 DBED N#CCSCC(=O)N1CC=C(CCNC(=O)CC(N)=O)CC1 1756874907 SPCDVKLRZFNBLP-UHFFFAOYSA-N 324.406 -0.216 30 20 DBED C=CCCC(=O)N[C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1O 1756984578 CSIDZYCSEAMLPP-MGPQQGTHSA-N 309.410 -0.018 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(C(=O)[C@@H](C)OCC)C[C@H]1O 1756997123 GQZIGWREDAWLRE-JHJVBQTASA-N 312.366 -0.861 30 20 DBED COC[C@@H](C)CC(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1757029679 JZZCZHBXOXMXAJ-IACUBPJLSA-N 308.378 -0.240 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)NC(=O)CC)CCO2 1783047190 ZDWXRUSAMJPAPQ-WBMJQRKESA-N 321.377 -0.636 30 20 DBED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1C[C@@H]1F)CCO2 1783558559 RIKSJGIZHOMCSU-ZETOZRRWSA-N 324.308 -0.738 30 20 DBED C[C@H](S)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)CN)CCO2 1783890817 WFBVCGHSTYDUDF-COPLHBTASA-N 315.439 -0.271 30 20 DBED CN(C)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC#N 1795417500 PBVIJLPFVQOMPI-JJLQDPRZSA-N 308.382 -0.559 30 20 DBED C=CCNC(=O)[C@H](C)OC(=O)C1CCN(S(C)(=O)=O)CC1 29003650 PCXYFNFNUNCWTE-JTQLQIEISA-N 318.395 -0.108 30 20 DBED CC(C)[C@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)C(N)=O 107355653 ZEZSPFMTBZQBRA-ZDUSSCGKSA-N 302.334 -0.086 30 20 DBED Cn1cc(N2CC[C@@H](NS(=O)(=O)CC3(C#N)CC3)C2=O)cn1 165361428 AFSBLCMMVSXOCP-LLVKDONJSA-N 323.378 -0.251 30 20 DBED C=CCN1CCC(NC(=O)CN2C(=O)C(=O)N(C)C2=O)CC1 264914961 OHTKFRLKZTWADW-UHFFFAOYSA-N 308.338 -0.826 30 20 DBED C[C@H](O)C(=O)N1CCN(c2ncc([N+](=O)[O-])cc2C#N)CC1 270789809 LHUWWNSSAITIEB-VIFPVBQESA-N 305.294 -0.109 30 20 DBED C[C@H](C/N=C(/O)NC[C@H]1COCCO1)CN1CCOCC1 329835180 LHVLSFHCISJVKD-OLZOCXBDSA-N 301.387 -0.126 30 20 DBED CC(C)[C@](C)(C#N)NC(=O)CN1CCN2C(=O)NC(=O)[C@@H]2C1 330515927 WCBVUEDEJSSKTI-HZMBPMFUSA-N 307.354 -0.723 30 20 DBED C[C@@H]1CN(C(=O)CNC(=O)c2ccc(C#N)cc2)C[C@H](CO)O1 330969175 MDKQILIGBQSWHY-BXUZGUMPSA-N 317.345 -0.104 30 20 DBED N#Cc1ccc(N2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)nc1 336859625 JINGMIQMKPEFPI-CHWSQXEVSA-N 322.390 -0.767 30 20 DBED N#C[C@H]1CN(S(=O)(=O)NCCCN2CCCC2)CCO1 336893973 LNTFUXINXPCGAT-LBPRGKRZSA-N 302.400 -0.469 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N(CC)[C@@H]1CCNC1=O 337186463 DEHPEQDZFNTKGR-WDEREUQCSA-N 302.400 -0.077 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC2(C)CCOCC2)C1=O 337534807 MEJXMKCFAPKHDH-UHFFFAOYSA-N 309.322 -0.352 30 20 DBED CCS(=O)(=O)N(C)CC(=O)N(CCC#N)CCCN(C)C 343684772 YGPIWZPRWNEIDB-UHFFFAOYSA-N 318.443 -0.038 30 20 DBED CC[C@H]1CCN(S(=O)(=O)CCCS(=O)(=O)NCC#N)C1 349487753 CQCSQCLEQCAWFS-NSHDSACASA-N 323.440 -0.119 30 20 DBED CC(C)OC[C@H](CO)N(C)C(=O)NCCn1cnc(C#N)n1 357865566 PPOSMJNZSYJZLF-NSHDSACASA-N 310.358 -0.423 30 20 DBED C#CCNCC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 388185827 MICZTILASDDNBB-UHFFFAOYSA-N 303.322 -0.139 30 20 DBED COc1cccc([S@@](=O)CC(=O)NCC(=O)NCC#N)c1 424855551 SUNAGWIINVHZLC-NRFANRHFSA-N 309.347 -0.441 30 20 DBED C=CCOc1cccc(NC(=O)C(=O)NCCOCC(N)=O)c1 441883682 DBSKUCGTYPXGIN-UHFFFAOYSA-N 321.333 -0.192 30 20 DBED CN(CCC#N)S(=O)(=O)N1CCCC[C@H](S(C)(=O)=O)C1 443958521 LITVSKRHEGLZCM-NSHDSACASA-N 323.440 -0.024 30 20 DBED C=C[C@@H](C)NC(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1 446799086 JSMNMJIOUVVOMN-GFCCVEGCSA-N 321.381 -0.156 30 20 DBED C#CCN1CCN(C(=O)CN2CC[C@@H](c3nccn3C)C2)CC1 491773689 SKJLZUNSXCMMCF-OAHLLOKOSA-N 315.421 -0.013 30 20 DBED COC[C@@H](C#N)OC(=O)CNC(=O)CNC(=O)OC(C)(C)C 495155994 OYGSLRHIVMIFFA-SECBINFHSA-N 315.326 -0.291 30 20 DBED N#C[C@H]1CN(S(=O)(=O)NCCN2CC=CCC2)CCO1 554540326 IOMCZHLPTLIYLZ-LBPRGKRZSA-N 300.384 -0.693 30 20 DBED COC(=O)c1ccc(OC[C@@H](O)CNCC(=O)NCC#N)cc1 566128809 LRKVOYBMNOEOFQ-LBPRGKRZSA-N 321.333 -0.558 30 20 DBED C[C@@H]1C(=O)N(C)CCN1C(=O)C(=O)Nc1cccc(C#N)n1 592290596 LQOCKPDRRXGHQJ-SECBINFHSA-N 301.306 -0.419 30 20 DBED CN(C)CCCN(CCC#N)C(=O)[C@H]1CCS(=O)(=O)N1 593418433 GNSXPSRZSLVUOV-LLVKDONJSA-N 302.400 -0.628 30 20 DBED CCN1C[C@@H](CNS(=O)(=O)N(CC)CCC#N)CC1=O 593641764 RZNHODAMYVNRAZ-LLVKDONJSA-N 302.400 -0.075 30 20 DBED C[C@@H](CO)C1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)CC1 593644038 LISASQUYKNEZIN-WCQYABFASA-N 317.411 -0.204 30 20 DBED CN(C)[C@H]1CN(S(=O)(=O)c2ccc(C#N)c(F)c2)C[C@@H]1O 601416152 PVHNXLLJWMZEHW-STQMWFEESA-N 313.354 -0.007 30 20 DBED CCN1CCCN(S(=O)(=O)N2CCO[C@H](C#N)C2)[C@H](C)C1 601439734 KHRSJRFRDXYLQD-CHWSQXEVSA-N 316.427 -0.128 30 20 DBED N#CCCN1CCN(C(=O)C(=O)N2C[C@H]3CCC[C@@]3(N)C2)CC1 601583576 QRXXPUMZIJHZNQ-CZUORRHYSA-N 319.409 -0.616 30 20 DBED N#C[C@@H]1CN(C(=O)[C@@H]2CCOC2)CCN1C(=O)[C@@H]1CCOC1 602355360 DHMDZURMBKAURT-JHJVBQTASA-N 307.350 -0.378 30 20 DBED C[C@H](CC#N)NC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C 604573393 PQFYLGIQUQJNHX-MRVPVSSYSA-N 303.322 -0.392 30 20 DBED CN(CC(=O)N(CCC#N)CCN1CCOCC1)C(=O)C1CC1 609122880 BLNGUQWZESOQTM-UHFFFAOYSA-N 322.409 -0.071 30 20 DBED CS(=O)(=O)N1CC[C@@H](CNC(=O)N2CC[C@](F)(C#N)C2)C1 615547315 FXKTWRZMNLDOOR-JQWIXIFHSA-N 318.374 -0.085 30 20 DBED C=CCCn1cc(CNS(=O)(=O)N(C)CCOC)nn1 632635565 BOTBNROTMHPSFV-UHFFFAOYSA-N 303.388 -0.233 30 20 DBED C[N+]12CC(=O)O[B-]1(c1ccc(C(F)(F)F)cn1)OC(=O)C2 642727197 JDIFOGCCTHAORY-UHFFFAOYSA-N 302.017 -0.194 30 20 DBED C=CCN(C)C(=O)C(=O)N1CCN(CCOCCOC)CC1 652398816 AGRLEXPRMRPTGK-UHFFFAOYSA-N 313.398 -0.562 30 20 DBED C#Cc1ccc(C(=O)N2CCN(CC(=O)NCC)CC2)nc1 728859459 YNOFTLOVXWLNRX-UHFFFAOYSA-N 300.362 -0.043 30 20 DBED Cc1ncc(CO)c(C=NN=c2nc3[nH][nH]cc-3c(O)n2)c1O 731157256 JAIANNIHBUSBEN-UHFFFAOYSA-N 315.293 -0.221 30 20 DBED C#CCNS(=O)(=O)N1CCN(CC[C@@H]2CCOC2=O)CC1 761023114 DRDLEWSIXYSMTJ-GFCCVEGCSA-N 315.395 -0.975 30 20 DBED C[C@@H]1CC(=NC(=O)CCNS(=O)(=O)c2cccnc2)NO1 765379275 SJCYCWDDOHJMMY-SECBINFHSA-N 312.351 -0.012 30 20 DBED O=C(O)COc1ccc(C=NN2C(=O)CNC2=O)cc1[N+](=O)[O-] 770616118 LFFOPKPRJCXILU-UHFFFAOYSA-N 322.233 -0.056 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)Cc2cccnc2)CC1 831560761 HWSQKPYGVBIEDW-UHFFFAOYSA-N 322.390 -0.764 30 20 DBED C#CCNC(=O)Cn1cc(CN2CCOCC2)cc(C#N)c1=O 849897899 CLIRHFFUDSPNQY-UHFFFAOYSA-N 314.345 -0.698 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)OC[C@@H]2CCO[C@H]2C)C1=O 869377195 UKUJHKDWZQVSRL-UWVGGRQHSA-N 310.306 -0.069 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(CN(C)C(=O)C(C)C)c1=O 882072748 XBVLEVXFSFEBLV-UHFFFAOYSA-N 322.365 -0.384 30 20 DBED N#CCCNC(=O)N[C@H]1CCCN(CCN2CCOCC2)C1 883656264 WLQKRWQHGJNISN-AWEZNQCLSA-N 309.414 -0.004 30 20 DBED N#C[C@@H](C(=O)CN1C(=O)NC2(CCCC2)C1=O)C(=O)NC1CC1 916926715 TYHJBKSSPZIKBK-JTQLQIEISA-N 318.333 -0.162 30 20 DBED C#CC[C@H]1NC(=O)N(CCCN(CC)S(C)(=O)=O)C1=O 927383609 JFNUYDUGFYPTRR-SNVBAGLBSA-N 301.368 -0.398 30 20 DBED C=CCN(CC=C)C(=O)CN1CC[C@@H](CS(N)(=O)=O)C1 932962780 KYMJLFUTRVTJDP-GFCCVEGCSA-N 301.412 -0.203 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)[C@@H](C)C1 944135102 IMANMAVRLXHHLZ-QWHCGFSZSA-N 320.393 -0.270 30 20 DBED C=CCN1CC[C@H](N2CCN(C(=O)c3cnn[nH]3)CC2)C1=O 949055773 OACUYRDTNOHAIT-LBPRGKRZSA-N 304.354 -0.651 30 20 DBED N#CCN1CCC2(CC1)CN(C(=O)Cn1nccn1)CCO2 949104226 CWYJZQFMYVSGRV-UHFFFAOYSA-N 304.354 -0.505 30 20 DBED C[C@@H](C#N)C(=O)N1CC(N(C)C(=O)c2cccn(C)c2=O)C1 954914773 RNKJJQDRHQUDNJ-JTQLQIEISA-N 302.334 -0.172 30 20 DBED C#CCCN1C[C@@H](O)[C@H](CNC(=O)c2ccn(CCOC)n2)C1 958249843 WIUAZLABPRZPJL-UKRRQHHQSA-N 320.393 -0.425 30 20 DBED CN(C(=O)c1cn[nH]c1)[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 958651982 FFAMRNKPKPTSMJ-STQMWFEESA-N 302.334 -0.533 30 20 DBED C#CCN1C[C@H]2C(NC(=O)c3cnc4ccccn4c3=O)[C@@H]2C1 960613034 WLQLGCGIWFCZKL-CHWSQXEVSA-N 308.341 -0.012 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)Cc1ncc[nH]1 960850436 LUJGYMFKPUKFBH-SDDRHHMPSA-N 317.349 -0.450 30 20 DBED C#Cc1ccc(C(=O)NC2[C@H]3CN(CC(=O)N(C)C)C[C@H]23)nc1 962340955 JGGWXHWKJOIGSW-STQMWFEESA-N 312.373 -0.189 30 20 DBED C[C@H]1C[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 962346870 INXWCTMWJQCHPK-ZDAZMGEQSA-N 302.334 -0.156 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2CCCN(C(=O)C(N)=O)CC2)[nH]1 964849920 FURLKPJFSHRJEE-VIFPVBQESA-N 303.322 -0.517 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H](NC(=O)c2nnn(C)n2)CC1 965093777 DVGKCMYUTKUHOW-VHSXEESVSA-N 305.342 -0.519 30 20 DBED C[C@H](C#N)C(=O)N1CCOC2(C1)CN(C(=O)[C@@]13COC[C@@H]1C3)C2 965477723 OGLADHOEKULWMZ-WQGACYEGSA-N 319.361 -0.378 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(C[C@H](NC(=O)c3cnsn3)CO2)C1 965637895 KQDDFIRIDDENDX-IUCAKERBSA-N 321.362 -0.203 30 20 DBED Cc1c[nH]c(C(=O)N[C@@H]2COC3(C2)CN(C(=O)[C@H](C)C#N)C3)n1 965711886 UNFYPWGUKSRUFC-KOLCDFICSA-N 317.349 -0.023 30 20 DBED N#CCNC1CC2(C1)CC(NC(=O)Cn1c(O)nnc1O)C2 965886686 UPFFUCWGICYILJ-UHFFFAOYSA-N 306.326 -0.770 30 20 DBED CO[C@H](C)C(=O)N1CCN(C2CN(C(=O)C#CC3CC3)C2)CC1 967194745 NNTICWGYSCMLSM-CYBMUJFWSA-N 319.405 -0.210 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(CC(N)=O)CC[C@@H]2C)nc1 968548713 IOWVDFLPOZVGLZ-SMDDNHRTSA-N 300.362 -0.012 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@H]1CCN1C(=O)C(N)=O 977791216 GAWYEHUMWFKIHA-WOPDTQHZSA-N 309.366 -0.488 30 20 DBED N#CCN1C[C@H]2[C@H](CNC(=O)[C@H]3CCCN(C(N)=O)C3)[C@H]2C1 978430280 HBIWOZRCMIQUDM-ZDEQEGDKSA-N 305.382 -0.405 30 20 DBED C=CCn1cccc1C(=O)NC[C@H]1C[C@@H](NC(=O)C(N)=O)C1 978938147 RICRLHUQUACCPG-PHIMTYICSA-N 304.350 -0.216 30 20 DBED C#CCN1C[C@H]2C[C@@H](NC(=O)CN3CCNC(=O)C3)CC[C@H]2C1 980163949 SAGQUKXTKDTSJN-ZNMIVQPWSA-N 318.421 -0.732 30 20 DBED O=C(N[C@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1O)C1=COCCO1 991234589 UFVNSIGAQICWTI-STQMWFEESA-N 320.345 -0.634 30 20 DBED C#CCCN1CC[C@]2(NC(=O)Cn3ncn(C)c3=O)CCC[C@H]12 991476322 VCBBBJQCDRBFQC-XJKSGUPXSA-N 317.393 -0.282 30 20 DBED C#CCN1CCC(C(=O)NC2CN(C(=O)c3ccon3)C2)CC1 993855319 OENUKAZUECGDBU-UHFFFAOYSA-N 316.361 -0.040 30 20 DBED CO[C@H]1C[C@H](C(=O)N2CCC[C@H](NCC#N)C2)N(C(C)=O)C1 999797456 HGCKKQQDABTEMH-MELADBBJSA-N 308.382 -0.274 30 20 DBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1CN(C(=O)C(N)=O)C1 1002150031 FSIFUYDMHAQMSN-RYUDHWBXSA-N 309.366 -0.582 30 20 DBED C[C@@H](C#N)C(=O)N1CC(CNC(=O)[C@@H]2CCCCC(=O)N2)C1 1004226424 HKLHYJJITHVIBQ-JQWIXIFHSA-N 306.366 -0.221 30 20 DBED CC#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CCOCC1=O 1017620774 CVTPIOFGGJJJSC-OKILXGFUSA-N 305.378 -0.456 30 20 DBED CC(=O)N1CCC[C@@H](N2CCN(C(=O)[C@@H](C)C#N)CC2=O)C1 1017853092 XIJXKYBBTVZUAU-WCQYABFASA-N 306.366 -0.172 30 20 DBED N#CCN[C@H]1CCN(C(=O)[C@H]2COCCN2CC(F)F)C1 1019192337 GJKIXLSTBFGAOD-WDEREUQCSA-N 302.325 -0.334 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)[C@]2(C)CCC(=O)N2)[C@@H]1C 1020538240 BCENZZFWTGHLFW-VEABSNGSSA-N 306.366 -0.080 30 20 DBED O=C1CC[C@H](C(=O)N2CC[C@H]3CN(C(=O)C#CC4CC4)C[C@H]32)N1 1021233607 RRTDKSOQEJHOBS-BFHYXJOUSA-N 315.373 -0.262 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCCO3)C[C@H]2O)c[nH]1 1023455365 WIQMERMYVMJYCL-JHJVBQTASA-N 318.333 -0.633 30 20 DBED C=C(C)CN1CCC[C@@H]1CNC(=O)[C@H]1CCS(=O)(=O)N1 1028325154 HOYBZHACEPTHCG-VXGBXAGGSA-N 301.412 -0.165 30 20 DBED C#Cc1cncc(C(=O)NC2CN(Cc3nc(=O)n(C)[nH]3)C2)c1 1030928500 WCNUNSCBIRCWIK-UHFFFAOYSA-N 312.333 -0.901 30 20 DBED CN(C(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1)[C@@H]1CCN(CC#N)C1 1033077377 QXGAKFAZVBCBQO-VXGBXAGGSA-N 316.365 -0.181 30 20 DBED CC#CCN1CC[C@H](N(C)C(=O)c2cnc(O)n(C)c2=O)C1 1033323088 COAIEDNVCKZMIW-NSHDSACASA-N 304.350 -0.345 30 20 DBED C#CCN1CC[C@H](N(C)C(=O)c2cn(CC(=O)N(C)C)nn2)C1 1033690638 ZVIINFOVHXWNJK-LBPRGKRZSA-N 318.381 -0.854 30 20 DBED C#CCN1CC2(CCN(C(=O)c3cn(C)c(=O)cn3)CC2)C1 1035753968 LYSRYEPGVFROFW-UHFFFAOYSA-N 300.362 -0.049 30 20 DBED C#CCN[C@@H]1CCN(C(=O)c2cnc(O)n(C)c2=O)C[C@H]1C 1036137918 AWBIBMFJVMPAPA-ZYHUDNBSSA-N 304.350 -0.441 30 20 DBED C#CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)c1cc2c(=O)[nH]c(C)cn2n1 1037517345 AQMDGQZAQAXKHO-OSMZGAPFSA-N 311.345 -0.233 30 20 DBED C=CCCC(=O)N1CC[C@](O)(CNC(=O)[C@H]2CCN(C)C2)C1 1039757444 RQXGFGCRKHVMQQ-BBRMVZONSA-N 309.410 -0.016 30 20 DBED Cc1nc[nH]c1CC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H](C)C#N)C1 1040455313 XBEVKWJNOZYZLL-BONVTDFDSA-N 319.365 -0.500 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)c2cncs2)C1 1040762862 MFKKMSFLXSZBFF-ZANVPECISA-N 308.363 -0.004 30 20 DBED N#Cc1nccnc1N1C[C@@H](O)[C@H](NC(=O)c2ccncn2)C1 1041130464 MGZAVEMKHSIPTF-VXGBXAGGSA-N 311.305 -0.882 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CN(CC(=O)NC2CC2)C1 1043902788 NZJMWKIGKYOEDL-KGLIPLIRSA-N 307.394 -0.001 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)[C@@H](C)n2cccc2)C1 1045540943 NFDAZNJQAWJSQI-NWDGAFQWSA-N 304.350 -0.102 30 20 DBED CCc1nc[nH]c1C(=O)N1CC(O)(CNC(=O)[C@H](C)C#N)C1 1045545794 BZIPMDJMVKPNTG-SECBINFHSA-N 305.338 -0.565 30 20 DBED C=C1CC(C)(C(=O)NCC2(O)CN(C(=O)[C@@H]3COCCO3)C2)C1 1046300759 AMUVQTUYMCPGHU-LBPRGKRZSA-N 324.377 -0.552 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC(=O)N(C(C)C)C2)C1 1047400534 VXNHPYMHUDIMAC-IHRRRGAJSA-N 309.410 -0.067 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3nncn3CC2)C1 1047462520 GOSUKINDWMHJAU-IHRRRGAJSA-N 317.393 -0.633 30 20 DBED C=CCN1C[C@H]2CN(C(=O)[C@@H]3CCN(C)S3(=O)=O)C[C@H]2C1 1049109993 ZNOXACMOTIXTRQ-XQQFMLRXSA-N 313.423 -0.404 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)CCOCC2CC2)C[C@@H]1O 1049401050 AFRRVNMYRMCVEW-UBHSHLNASA-N 323.393 -0.007 30 20 DBED N#CCN1CCOC[C@@H]1CNC(=O)[C@H]1CCn2ccnc2C1 1050990000 ZUYXNGCMHRTUCP-STQMWFEESA-N 303.366 -0.214 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2COCCN2CC#CC)nn1 1051156065 NZZPOWCJHCDPCR-CYBMUJFWSA-N 303.366 -0.082 30 20 DBED N#Cc1nccc(N2CC[C@@H](NC(=O)c3cnon3)[C@H](O)C2)n1 1051720296 XXKCXCDERFDQEL-PSASIEDQSA-N 315.293 -0.899 30 20 DBED CC#CCN1CC2(CC[C@H](CNC(=O)[C@@H]3CCC(=O)N3C)O2)C1 1053647563 YLOGEOVSHIAUOC-KGLIPLIRSA-N 319.405 -0.020 30 20 DBED CN1C(=O)CCC[C@@H]1C(=O)N[C@@H]1COC2(C1)CN(CC#N)C2 1053996680 JIQGLSJQGDPOLF-NWDGAFQWSA-N 306.366 -0.520 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@@](CO)(NC(=O)C(C)C)C1 1055774121 TXUPZIDBXUHIAP-MRXNPFEDSA-N 323.393 -0.748 30 20 DBED C=C(C)CCC(=O)N1CCC[C@@](CO)(NC(=O)CC(N)=O)C1 1055846135 QACNQZRRIICLAD-OAHLLOKOSA-N 311.382 -0.312 30 20 DBED O=C(N[C@@]1(CO)CCCN(C(=O)C#CC2CC2)C1)c1nc[nH]n1 1056045627 MRCAGIKJCQXKCW-HNNXBMFYSA-N 317.349 -0.699 30 20 DBED N#CCSCC(=O)NCCN(CCO)C(=O)c1ccncc1 1056795605 DZJPLJIAOJQQSL-UHFFFAOYSA-N 322.390 -0.111 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCN(CCO)C(=O)COCCC 1057138620 MOQDSAVAEFYZNI-OAHLLOKOSA-N 316.398 -0.323 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)[C@H]1CN(C)C[C@H]1C 1057445530 YOHWTBKZFKRVDK-CABCVRRESA-N 323.437 -0.075 30 20 DBED N#Cc1ccc(N2CCC[C@@H](NC(=O)Cn3cnnn3)C2)cn1 1058118986 VWMNOGMKPPRKRO-GFCCVEGCSA-N 312.337 -0.275 30 20 DBED Cn1cc(C(=O)N[C@@H]2CCCN(c3cncc(C#N)n3)C2)nn1 1058156017 VZIOJVDJFSLNJS-SNVBAGLBSA-N 312.337 -0.124 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)c1cnc(O)n1C 1058299245 ZBLHTGPDDMECDH-UHFFFAOYSA-N 322.365 -0.520 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H]1COCCN1C(=O)C(F)F 1061584931 OYIGVQNRHWESHV-ZJUUUORDSA-N 304.293 -0.367 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)CCCCC(N)=O 1061849020 YDVGIFXYEWMKRD-NWDGAFQWSA-N 324.381 -0.465 30 20 DBED CNC(=O)NCCC(=O)NCC1(NC(=O)C#CC2CC2)CCC1 1062931489 USLANNPMCNTKPQ-UHFFFAOYSA-N 320.393 -0.126 30 20 DBED CN(C(=O)Cn1ncnn1)[C@@H]1CCN(c2ccncc2C#N)C1 1062979509 BHRSDZAFNDKVLN-GFCCVEGCSA-N 312.337 -0.323 30 20 DBED Cc1nc(CC(=O)N[C@H]2[C@H]3C[C@H]2N(c2nccnc2C#N)C3)n[nH]1 1064249849 KFUZRKFXLUKCBU-PXWWUCIGSA-N 324.348 -0.289 30 20 DBED C=CCOCC(=O)NC1(CNC(=O)[C@H]2C[C@H]2C(N)=O)CCC1 1064560307 XAOGLCIDWRLSKR-MNOVXSKESA-N 309.366 -0.535 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(C(=O)[C@@H](C)OC)CCO1 1064920915 DWXJGOLRIJQXDI-CHWSQXEVSA-N 312.366 -0.595 30 20 DBED CN(C(=O)c1cn[nH]c1)[C@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1065567265 RJUKPXANSUWFGB-RYUDHWBXSA-N 313.321 -0.607 30 20 DBED N#Cc1nccc(N2CCOC[C@@H]2CNC(=O)c2cnco2)n1 1066510127 QJUCLFBNCZRINE-JTQLQIEISA-N 314.305 -0.029 30 20 DBED C#CCOCCC(=O)N(C)CCCN(C)C(=O)Cc1nc[nH]n1 1067428096 XZWHMYPXTODXOG-UHFFFAOYSA-N 321.381 -0.306 30 20 DBED N#Cc1cnc(NCC2CC(NC(=O)Cn3nccn3)C2)cn1 1067868497 JIWMGMLZDFDWAX-UHFFFAOYSA-N 312.337 -0.053 30 20 DBED N#Cc1ccc(N2CCO[C@]3(CCN(C(=O)C(N)=O)C3)C2)nc1 1068083429 BZWURLIKSGVXMN-OAHLLOKOSA-N 315.333 -0.754 30 20 DBED CC(=O)NCC(=O)NC[C@H]1CCC2(CN(C(=O)[C@H](C)C#N)C2)O1 1068497758 RXORSAVKPWLWDK-ZYHUDNBSSA-N 322.365 -0.842 30 20 DBED C=CCC(C)(C)C(=O)NC[C@@H]1CCC2(CN(C(=O)C(N)=O)C2)O1 1068575765 ULCPVCGCIHXFIC-NSHDSACASA-N 323.393 -0.050 30 20 DBED C[C@@H]1[C@H](Nc2nccnc2C#N)CCN1C(=O)Cn1ncnn1 1068902111 VNPKFXDSIWXSJM-NXEZZACHSA-N 313.325 -0.564 30 20 DBED C=CCOCC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2COCCO2)C1 1070458018 KTSNHLZTGJNPMD-OLZOCXBDSA-N 312.366 -0.288 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)Cc4nonc4C)C[C@@]3(C1)O2 1070874839 YRKTXIABQWAVNK-XJKCOSOUSA-N 316.361 -0.145 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)c2cnn(C)c2N)C[C@H]1C 1071948578 JMVOOFFYVVUZJG-ZYHUDNBSSA-N 321.381 -0.218 30 20 DBED CC1(C)CN(C(=O)CSCC#N)CC[C@H]1NC(=O)C(N)=O 1073479528 PBOOTBPVYAPPNA-SECBINFHSA-N 312.395 -0.528 30 20 DBED N#Cc1cc(C(=O)NC[C@@H]2CN(CC(N)=O)CCCO2)c[nH]1 1073576863 BIMACJZUAGWKJI-GFCCVEGCSA-N 305.338 -0.808 30 20 DBED C#CCCN1CCCO[C@H](CNC(=O)[C@H]2CCCC(=O)N2)C1 1073651998 MJUGHHFDLRRBLD-ZIAGYGMSSA-N 307.394 -0.115 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(C(=O)Cn2cncn2)[C@H](C)C1 1074891358 GBNZAYJKNWKVCQ-OLZOCXBDSA-N 321.381 -0.024 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)C[C@@H](C)OC 1075874008 HIEKVNINUPLXEF-NWDGAFQWSA-N 311.382 -0.438 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2scc3c2OCCO3)C1 1077937353 RZHQKXATKDDERB-NXEZZACHSA-N 308.359 -0.073 30 20 DBED CCN(C(=O)C#CC(C)C)C1CN(C(=O)[C@@H]2CCNC2=O)C1 1079733065 TVANUPNEXHKYQD-CYBMUJFWSA-N 305.378 -0.159 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)[C@H](C)C1 1080439165 GMMLYYQISFFOEB-SYQHCUMBSA-N 307.394 -0.308 30 20 DBED CSCC(=O)NC[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1O 1081238242 ZYKGYCJCYUPQQP-SKDRFNHKSA-N 322.390 -0.202 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)Cc2ccnn2C)C[C@@H]1O 1081336144 UJVNARNIEHNNIK-JSGCOSHPSA-N 320.393 -0.136 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)Cc2ncc[nH]2)C[C@H]1O 1081463882 TZLHZHUPBRGMPO-QWHCGFSZSA-N 318.377 -0.453 30 20 DBED CCCN(C)CC(=O)N1C[C@H](O)[C@H](CNC(=O)C#CC2CC2)C1 1081472175 WCGHLCTUYCUQGJ-CABCVRRESA-N 321.421 -0.323 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1nc2nccc(C)n2n1 1082355696 KIFBGHNWAFFZLU-GHMZBOCLSA-N 315.337 -0.615 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1ccn(C)c(=O)c1 1083123639 LXHGGPCUINNHFB-UONOGXRCSA-N 301.346 -0.456 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CC[C@@H](C(N)=O)C1 1083193681 DATOYRFNHYYMJB-MROQNXINSA-N 306.366 -0.677 30 20 DBED Cn1ccc(CN2C[C@H](O)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)n1 1083414138 OCUUULBAJAKBLM-KGLIPLIRSA-N 314.349 -0.405 30 20 DBED C#CCN[C@@H]1CC[C@H](CNC(=O)c2cnc(O)n(C)c2=O)C1 1086774936 NJOXIHRRFDXIDO-WDEREUQCSA-N 304.350 -0.393 30 20 DBED C[C@H]1CC[C@@H](NC(=O)CC(N)=O)CN1c1ccnc(C#N)n1 1089127214 ONYFYDWUGVYWSA-VHSXEESVSA-N 302.338 -0.303 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(c2cnc(F)cn2)C[C@@H]1O 1091149656 CIKTWUNSIJJLNL-MNOVXSKESA-N 308.313 -0.679 30 20 DBED CCC(=O)NCc1nc(O)cc(CN=c2cc[nH]c(C#N)n2)n1 1091710484 HOCUQCFHMXXDQY-UHFFFAOYSA-N 313.321 -0.096 30 20 DBED N#Cc1nccnc1N1C[C@H]2C(NC(=O)C3(C(N)=O)CC3)[C@@H]2C1 1093356585 OZCWLQKVYMYBKQ-RKDXNWHRSA-N 312.333 -0.835 30 20 DBED CC(=O)N1CCO[C@@H](C(=O)NCCNc2cncc(C#N)n2)C1 1093799040 JJPSQHIUBVWIGY-GFCCVEGCSA-N 318.337 -0.876 30 20 DBED N#Cc1c[nH]ccc1=NCCNC(=O)CNC(=O)c1ccoc1 1094182829 PFKNTSHDTCGKEY-UHFFFAOYSA-N 313.317 -0.074 30 20 DBED CN(CCCNC(=O)C[C@@H]1CCC(=O)N1)c1cncc(C#N)n1 1095592045 ZXQZCMNLUKUZMJ-NSHDSACASA-N 316.365 -0.041 30 20 DBED N#Cc1cncc(N[C@H]2CCN(C(=O)CNC(=O)C3CC3)C2)n1 1096917295 MZJQHAQLDWIJHC-NSHDSACASA-N 314.349 -0.113 30 20 DBED CS(=O)(=O)CCC(=O)N1CC[C@H](Nc2nccnc2C#N)C1 1096982503 BUHALUIGJPTNGY-JTQLQIEISA-N 323.378 -0.204 30 20 DBED COCCCOCC(=O)N[C@H]1C[C@H](N=c2cc[nH]c(C#N)n2)C1 1097063500 KWCSVRMRMWBSML-HAQNSBGRSA-N 319.365 -0.118 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCCS1(=O)=O)Nc1ccc(C#N)nn1 1097883867 SEXLSKGCNPGKEN-GXSJLCMTSA-N 323.378 -0.158 30 20 DBED COC[C@]1(C(=O)NC[C@@H](C)N=c2cc[nH]c(C#N)n2)CCOC1 1098166633 UEHUXJLAWQQGTC-IAQYHMDHSA-N 319.365 -0.260 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)Nc1ccc(C#N)nn1 1098213267 FBEBXOARTWEAAI-WPRPVWTQSA-N 303.326 -0.712 30 20 DBED C[C@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)Nc1ncccc1C#N 1098213811 PZHCCGXVNWTQCZ-KOLCDFICSA-N 302.338 -0.107 30 20 DBED Cc1cc(C#N)nc(N[C@H](C)CNC(=O)[C@@H]2CNC(=O)N2)n1 1098249997 FYWZBGWVJRCROV-SCZZXKLOSA-N 303.326 -0.745 30 20 DBED CC#CCN(CCO)C1CCN(C(=O)C(C)(C)C(N)=O)CC1 1098397804 ANELGZQXGFACPN-UHFFFAOYSA-N 309.410 -0.194 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](n2cc(CNCCCO)nn2)C1 1098634694 VYTGUGAOYGVPEE-WCQYABFASA-N 306.370 -0.317 30 20 DBED C#CCOCCC(=O)N[C@H]1CCN(Cc2cnsn2)C[C@H]1O 1099833222 SPSHZBQUSHAUAP-QWHCGFSZSA-N 324.406 -0.371 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)c2c[nH]c(=O)cn2)[C@@H](O)C1 1099966831 DBEGUXFNINNUEL-AAEUAGOBSA-N 322.365 -0.863 30 20 DBED C=CCCN1CC[C@@H](NC(=O)C(C)(C)S(C)(=O)=O)[C@@H](O)C1 1100022017 GCMMMYPSGOLOML-NEPJUHHUSA-N 318.439 -0.063 30 20 DBED C=CCN1CC[C@@H](NC(=O)CCCS(C)(=O)=O)[C@H](O)C1 1100031519 GPYAHGKTRQKHJU-VXGBXAGGSA-N 304.412 -0.451 30 20 DBED C=CCOCC(=O)NCC1CC(NCCN2C(=O)CCC2=O)C1 1100187591 CTSSNEMFJXMCGG-UHFFFAOYSA-N 323.393 -0.178 30 20 DBED O=C(C#CC1CC1)NCC1CC(N[C@H]2CCC(=O)NC2=O)C1 1100315213 YOIAXDXDNXMBDZ-BPCQOVAHSA-N 303.362 -0.311 30 20 DBED CCN(CCNC(=O)COCCN(C)C)c1nccnc1C#N 1100569829 QQZDSPYFXBYUIX-UHFFFAOYSA-N 320.397 -0.131 30 20 DBED C[C@@H](CC(N)=O)C(=O)NC[C@@H]1CCCN1c1cncc(C#N)n1 1100886528 KWSARAVNRLXRNR-JQWIXIFHSA-N 316.365 -0.055 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H]1CCN(c2cnc(F)cn2)C1 1100973375 CTPAMCRQVLKSOG-NSHDSACASA-N 319.340 -0.302 30 20 DBED CCNC(=O)CC(=O)NC[C@@H]1CCN(c2ccc(C#N)nn2)C1 1100976194 YKWJIOPOPYGLPS-NSHDSACASA-N 316.365 -0.183 30 20 DBED C#CCCNC1CC(CNC(=O)[C@@H]2COCCN2C(C)=O)C1 1101004951 PEWCXFYXTBKCLQ-NRXISQOPSA-N 307.394 -0.259 30 20 DBED C=CCOCCN1C[C@@H]2CN(C(=O)Cn3cnnn3)C[C@]2(C)C1 1101118376 OOMMVDLJXOAGMI-HIFRSBDPSA-N 320.397 -0.344 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CN(C(=O)[C@H](C)OCC)C[C@]2(C)C1 1101139101 RPEZEGUZISOFMK-VBQJREDUSA-N 321.421 -0.059 30 20 DBED CNC(=O)C1(C(=O)N(C)CCN=c2cc[nH]c(C#N)n2)CCC1 1101704364 DMANMNMKWOZMSV-UHFFFAOYSA-N 316.365 -0.443 30 20 DBED CC[C@@H](CNC(=O)CCNC(=O)NC)Nc1cnc(C#N)cn1 1103064998 WUNNIVAXQAFFHY-JTQLQIEISA-N 319.369 -0.026 30 20 DBED C[C@H](CNC(=O)c1ncn(C)n1)CNc1cnc(C#N)cn1 1103929049 NKMNOJKJIUEPSC-VIFPVBQESA-N 300.326 -0.045 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)c1cn(C)c(O)n1 1104193278 GNSOPCRWKLMVOX-VIFPVBQESA-N 315.337 -0.313 30 20 DBED C=CCNCc1cn(C2CN(C(=O)c3cn(C)nn3)C2)nn1 1105230735 VRBTUNLWZQFKME-UHFFFAOYSA-N 302.342 -0.621 30 20 DBED CN(CCN(C)c1ccnc(C#N)n1)C(=O)[C@H]1CCC(=O)N1 1105351932 BRZWYUVIFJVVIG-SNVBAGLBSA-N 302.338 -0.479 30 20 DBED C=CCCC(=O)NC[C@@H](O)CNc1ncnc2c1nnn2C 1105739910 PXSMOOUUODBIEV-SECBINFHSA-N 305.342 -0.387 30 20 DBED CO[C@@H](C(=O)NC[C@@H](O)CNc1nccnc1C#N)C1CC1 1105833555 NSGDEYXUMZVUCE-CMPLNLGQSA-N 305.338 -0.338 30 20 DBED CCO[C@H](C(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1)C1CC1 1105974696 FZZRKVLKNJQLIR-FZMZJTMJSA-N 319.365 -0.526 30 20 DBED CN(C)[C@H](C(=O)NC[C@H](O)CNc1ccc(C#N)nn1)C1CC1 1105995111 MXSYKEMBSHTCSC-OCCSQVGLSA-N 318.381 -0.423 30 20 DBED CN1CCCC[C@@H]1C(=O)NC[C@@H](O)CN=c1cc[nH]cc1C#N 1106165084 DHMICDZRDDDJSO-DZGCQCFKSA-N 317.393 -0.252 30 20 DBED CNC(=O)NCCC(=O)N[C@@H](C)CCNc1ccc(C#N)nn1 1106316791 ISIZSZIMTSLYCT-JTQLQIEISA-N 319.369 -0.026 30 20 DBED C[C@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)[C@@H]1CN(C)C(=O)N1 1106518777 FRSPEXKMADSPII-ZJUUUORDSA-N 317.353 -0.900 30 20 DBED C[C@@H]1CN(C(=O)CCN(C)C)C[C@H]1CNCC(=O)NCC#N 1106622741 NXSMYENNRVDHHB-CHWSQXEVSA-N 309.414 -0.738 30 20 DBED COC(=O)NCC(=O)NC/C=C/CN=c1cc[nH]c(C#N)n1 1107057711 JVTUMRCEGNLNTJ-NSCUHMNNSA-N 304.310 -0.790 30 20 DBED COC(=O)c1nc(=NC/C=C/CNC(=O)[C@@H](C)C#N)cc[nH]1 1107080030 GVQXDQODATZJLB-FSIBCCDJSA-N 303.322 -0.071 30 20 DBED N#Cc1cncc(NC/C=C\CNC(=O)[C@@H]2CCNC2=O)n1 1107453431 YLPBWVOVZUTTSA-BVBSBALXSA-N 300.322 -0.431 30 20 DBED C[C@]1(C(=O)NC/C=C/CNc2ccc(C#N)nn2)CCNC1=O 1107508998 UKWLDUQQHNTDAI-XYBNCVKDSA-N 314.349 -0.041 30 20 DBED CC(C)(F)C(=O)NC[C@@]1(C)CN(CC(=O)NCC#N)CCO1 1107686908 FJJVYMSCGUAXGP-AWEZNQCLSA-N 314.361 -0.419 30 20 DBED COCC#CCN1CCO[C@@](C)(CNC(=O)c2ccnn2C)C1 1107798693 SUGAIBSOEIBRIZ-INIZCTEOSA-N 320.393 -0.109 30 20 DBED C=C(Cl)CN1CCO[C@](C)(CNC(=O)[C@H]2CNC(=O)N2)C1 1108166864 FYLSVJFVBQVQSY-ZWNOBZJWSA-N 316.789 -0.373 30 20 DBED C#CCCN1CCO[C@@](C)(CNC(=O)CCc2cnn(C)n2)C1 1108220091 LMQFOTXJDTWBLU-INIZCTEOSA-N 319.409 -0.022 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)COCC3CC3)CC2=O)C1 1108514077 XZTWGPUTFWIYNO-CYBMUJFWSA-N 305.378 -0.553 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)[C@@H](C3CC3)N(C)C)CC2=O)C1 1108551769 FQXWBKJQIIHZSE-CZUORRHYSA-N 320.437 -0.086 30 20 DBED C=CC(C)(C)C(=O)N[C@H]1CC(=O)N(C2CN(C[C@H](C)O)C2)C1 1108560349 JYMNGNXJDSDAIX-RYUDHWBXSA-N 309.410 -0.019 30 20 DBED C[C@H](CN(C)c1nccn2nnnc12)NC(=O)CSCC#N 1108870069 XTEMIJJBGIDMNS-SECBINFHSA-N 320.382 -0.283 30 20 DBED Cc1nc(CC(=O)N[C@@H](C)CN(C)c2cncc(C#N)n2)n[nH]1 1108955873 VCTURARXMFXWIX-VIFPVBQESA-N 314.353 -0.042 30 20 DBED Cc1cc(C#N)nc(N(C)C[C@@H](C)NC(=O)Cn2cncn2)n1 1108960557 OPGIQFHTQFINMQ-LLVKDONJSA-N 314.353 -0.111 30 20 DBED C[C@@H](CN(C)c1ccc(C#N)nn1)NC(=O)[C@H]1CCC(=O)N1C 1109187998 XJBQFURZXDDEIM-CMPLNLGQSA-N 316.365 -0.090 30 20 DBED CC(C)OCC(=O)NC[C@]1(O)CCN(c2ccnc(C#N)n2)C1 1111038322 XUTSBHFZLXDSSM-OAHLLOKOSA-N 319.365 -0.169 30 20 DBED N#Cc1cncc(NCCN(CCO)C(=O)Cn2cccn2)n1 1111418449 LQZJCIPHQUMHIN-UHFFFAOYSA-N 315.337 -0.522 30 20 DBED CN(C)C(=O)CC(=O)N(CCO)CCNc1nccnc1C#N 1111572711 BCJSBOVMHDOXJW-UHFFFAOYSA-N 320.353 -0.941 30 20 DBED C[C@@H](C#N)C(=O)N[C@]12CCC[C@H]1CN(Cc1nnn(C)n1)C2 1111666939 PMFZVEMYEXHBLZ-MJVIPROJSA-N 303.370 -0.160 30 20 DBED N#CCNC[C@]12CCC[C@H]1CN(C(=O)C1CS(=O)(=O)C1)C2 1112367008 VASNKCWQTJMRPE-JSGCOSHPSA-N 311.407 -0.227 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)Cc2cnn(C)c2)CC1 1112679012 MNPRXFQKEDYLDJ-CYBMUJFWSA-N 319.409 -0.203 30 20 DBED CCOCCC(=O)NC[C@H]1CN(c2cncc(C#N)n2)C[C@H]1O 1112703235 ZPBKTWYIKSHLSA-WCQYABFASA-N 319.365 -0.312 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)C[C@@H]2C[C@H]3CC[C@H]2O3)CC1 1112960685 PEVCGLAWEDEOKT-BFHYXJOUSA-N 320.393 -0.272 30 20 DBED COCC#CCN1CCN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1 1113007569 WGEBXNCHRBJHRY-HUUCEWRRSA-N 309.410 -0.501 30 20 DBED C[C@@H](CNC(=O)CS(C)(=O)=O)N(C)c1ccc(C#N)nn1 1113520410 BDNNWMAGYPROTG-VIFPVBQESA-N 311.367 -0.666 30 20 DBED N#CCNC(=O)CN1C[C@H]2C(NC(=O)C[C@@H]3CCCO3)[C@@H]2C1 1113926229 XLAKDPCHBNRWQW-QJPTWQEYSA-N 306.366 -0.758 30 20 DBED CC(C)C#CC(=O)N[C@H]1[C@@H]2CN(Cc3nc(=O)n(C)[nH]3)C[C@@H]21 1114237362 KZZRJGVWKVBACH-YABSGUDNSA-N 303.366 -0.686 30 20 DBED C#CCOCCC(=O)NC1[C@H]2CN(Cc3nonc3C)C[C@H]12 1114266028 LEQGIOHVTDGOFX-RYUDHWBXSA-N 304.350 -0.036 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)C3(COC)CC3)[C@@H]2C1 1114567750 CAFZLAYKFQFOPB-YNEHKIRRSA-N 319.405 -0.403 30 20 DBED CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NC1[C@@H]2CN(CC#N)C[C@@H]12 1114770530 WPJKLFCPZXGDKW-UPJWGTAASA-N 316.365 -0.973 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)[C@H](CC)N(C)C)[C@@H]2C1 1114846112 GYGGKULPTMPGOW-UPJWGTAASA-N 308.426 -0.325 30 20 DBED CCc1cc(C(=O)N[C@H]2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]32)no1 1115133188 ZZHHLFAYFBHJHH-YABSGUDNSA-N 317.349 -0.463 30 20 DBED CCCN(C)CCC(=O)NC1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]12 1115151737 KZSRELCHHIGYKT-CHWSQXEVSA-N 321.425 -0.596 30 20 DBED CN(CCOCCNC(=O)c1cnn[nH]1)c1ccncc1C#N 1115268720 DRHMGRGUTSVSID-UHFFFAOYSA-N 315.337 -0.046 30 20 DBED C[C@@H]1[C@@H](C)[S@](=O)CCN1C(=O)C(=O)Nc1cnn(CC#N)c1 1116895328 BKELKOOKWCNFHD-VUHZHCFISA-N 323.378 -0.287 30 20 DBED C=CCN1CCC(NC(=O)C(=O)NCc2nc(C)no2)CC1 1117086607 BZYLUCXEZUSNNN-UHFFFAOYSA-N 307.354 -0.239 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCC[C@H](OCCOC)C1 1117391355 PQWVRNVLLPXHJC-ZDUSSCGKSA-N 312.366 -0.594 30 20 DBED N#CCNC(=O)CNC(=O)NCc1ccc(CC(N)=O)cc1 1117691283 LICXBSKFZCMQLF-UHFFFAOYSA-N 303.322 -0.847 30 20 DBED CN(Cc1nccs1)C(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1118249599 OUYKTVZGEKKJLM-ZDUSSCGKSA-N 308.363 -0.021 30 20 DBED N#Cc1cccnc1N[C@H](CO)CNC(=O)CN1CCCC1=O 1121025179 PQTVBZPPORGNLX-LBPRGKRZSA-N 317.349 -0.535 30 20 DBED Cc1cc(=N[C@@H](CO)CNC(=O)c2cnsn2)c(C#N)c[nH]1 1121092267 MABAFJOXAXUXRF-SNVBAGLBSA-N 318.362 -0.262 30 20 DBED N#Cc1nc(=N[C@H](CO)CNC(=O)Cc2cccs2)cc[nH]1 1121113419 SEZMCGWKDVAEFD-JTQLQIEISA-N 317.374 -0.037 30 20 DBED COCCOCC(=O)NC[C@H](CO)Nc1ccc(C#N)c(C)n1 1121213168 NINIBYIAZCKFOV-CYBMUJFWSA-N 322.365 -0.186 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H](CO)CNC(=O)C[C@@H]1COC(=O)C1 1121303294 NFDGMWZQSPSTSQ-CMPLNLGQSA-N 318.333 -0.783 30 20 DBED C=CCn1c([C@H](C)CO)nnc1N1CCO[C@@H](C(=O)NC)C1 1121682883 XICCVAOQPAMVTD-GHMZBOCLSA-N 309.370 -0.489 30 20 DBED C=CCn1c(CO)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1121701043 QEQMOKKXFPBUKJ-SNVBAGLBSA-N 300.384 -0.030 30 20 DBED CN(C[C@@H](O)CNc1ccc(C#N)nn1)C(=O)[C@H]1CCCN1C 1124208499 XDLICZIZHHCMBU-QWHCGFSZSA-N 318.381 -0.326 30 20 DBED Cc1c[nH]nc1C(=O)N(C)C[C@@H](O)CN=c1cc[nH]cc1C#N 1124284049 VIPYKFXDBMGXJT-LBPRGKRZSA-N 314.349 -0.048 30 20 DBED CN(C[C@H](O)CNc1ccc(C#N)nn1)C(=O)c1cn(C)nn1 1124295832 NFLUUQUAIQVYBJ-SNVBAGLBSA-N 316.325 -0.978 30 20 DBED CN(C[C@H](O)CNc1ccc(C#N)nc1)C(=O)c1nc[nH]n1 1124460567 OQBDBRHXFQJSOA-LLVKDONJSA-N 301.310 -0.384 30 20 DBED CN(C[C@H](O)CNc1nccnc1C#N)C(=O)Cc1ncc[nH]1 1124481915 AVTQMCYRQPVOPA-SNVBAGLBSA-N 315.337 -0.455 30 20 DBED COC[C@@H](C)CC(=O)N(C)C[C@H](O)CN=c1cc[nH]c(C#N)n1 1124513083 LHKTTXLCWWKUFR-NWDGAFQWSA-N 321.381 -0.326 30 20 DBED CN(C[C@H](O)CNc1ncccc1C#N)C(=O)Cn1nccn1 1124568693 SADMJLOBMBBPDL-GFCCVEGCSA-N 315.337 -0.524 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)c1cnco1 1124621545 IFNOVNMDHWCRBU-SECBINFHSA-N 302.294 -0.697 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)COCC=C 1124772543 FEVJDJNNDGUWBO-NSHDSACASA-N 312.370 -0.705 30 20 DBED C#CCCCCC(=O)NCCNCCN(C)S(C)(=O)=O 1125939063 RKDSIBOVNUSXGT-UHFFFAOYSA-N 303.428 -0.223 30 20 DBED C#CCOCCC(=O)NCCNCC(=O)N1CCC[C@@H](C)C1 1127032530 ZBFNLMFQAIZKHH-CQSZACIVSA-N 309.410 -0.009 30 20 DBED C=CCOCCCC(=O)N1C[C@H](n2ccnn2)[C@H](NCCO)C1 1129732558 AWUCPZQQNAZMFH-KGLIPLIRSA-N 323.397 -0.405 30 20 DBED C=CCNC(=O)CNCCNC(=O)CCOC[C@H]1CCCO1 1130688362 MJAZTVQCJKBPLZ-CYBMUJFWSA-N 313.398 -0.420 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)CN1CCCCC1=O 1130766841 ZUICQYZLBHRCRF-LBPRGKRZSA-N 310.398 -0.605 30 20 DBED N#Cc1ccc(CNCCNC(=O)c2nnc(O)nc2O)s1 1130862894 JHGNQTZUDTYVBR-UHFFFAOYSA-N 320.334 -0.264 30 20 DBED COCCS(=O)(=O)CC(=O)N[C@@H]1CC[C@H](C)N(CC#N)C1 1132139666 BFEAVQRLHDDXFS-NWDGAFQWSA-N 317.411 -0.460 30 20 DBED C[C@H]1CCN(C(=O)CCN(C)C)C[C@@H]1CNCC(=O)NCC#N 1133091601 SQFUSXODRSQXCO-KBPBESRZSA-N 323.441 -0.348 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CCCCC(=O)N1 1133694703 WXSHWXFBFCMXAJ-VXGBXAGGSA-N 310.398 -0.558 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1=O 1133922576 XAXXJOOUNIRYJX-YNEHKIRRSA-N 322.409 -0.797 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)COCCOC 1133926225 FKDCWZOKELXPKF-STQMWFEESA-N 313.398 -0.728 30 20 DBED C=C(C)CCNCCNC(=O)C1(n2cnnn2)CCOCC1 1135111343 XRKPVDXGUURLHT-UHFFFAOYSA-N 308.386 -0.149 30 20 DBED C[C@@H](C[C@@H](C)NCC#N)NC(=O)Cn1nc2n(c1=O)CCCC2 1135881996 FXULSLOZTHREII-NEPJUHHUSA-N 320.397 -0.222 30 20 DBED Cc1nc(CN2CCCO[C@@H](CNC(=O)[C@@H](C)C#N)C2)n[nH]1 1149406632 JMNSZKDSQNQGHB-JQWIXIFHSA-N 306.370 -0.020 30 20 DBED CC#CCN1CCCO[C@@H](CNC(=O)CN2CCCNC2=O)C1 1149946223 HKZGPONIWUVGCB-AWEZNQCLSA-N 322.409 -0.368 30 20 DBED N#Cc1ccccc1CNCCNC(=O)CN1C(=O)CNC1=O 1150350035 SQXSPRJYPFWLKR-UHFFFAOYSA-N 315.333 -0.684 30 20 DBED C#CCO[C@H](C)C(=O)NCCCNC[C@@H](O)Cn1cccn1 1157881187 XRPFRVOSZZWDRE-ZIAGYGMSSA-N 308.382 -0.622 30 20 DBED N#CCNC(=O)CNCCCNC(=O)C[C@H]1C[C@H]2CC[C@H]1O2 1159770180 QMFGOEKMBRCVIE-JHJVBQTASA-N 308.382 -0.320 30 20 DBED N#CCNC(=O)CNCCCNC(=O)c1cn2cccnc2n1 1161781627 QSDMSHFBOBEOEQ-UHFFFAOYSA-N 315.337 -0.921 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)c1c(C)ncnc1O 1164436471 GMYJLLAMHMDCKD-LLVKDONJSA-N 321.381 -0.109 30 20 DBED C#CCNC(=O)CNCC1(CCNC(=O)[C@@H](C)OCC#C)CC1 1164505161 SYYZHBLLXPZCHZ-CQSZACIVSA-N 319.405 -0.350 30 20 DBED C#CCNC(=O)CNCC1(CCNC(=O)c2nonc2C)CC1 1168519087 FFFNIJSMRGJOAH-UHFFFAOYSA-N 319.365 -0.383 30 20 DBED C#CCNC(=O)CNCCCC[C@H](C)NC(=O)CN(C)C(C)=O 1169289130 OEYOVPXDPMZNHE-ZDUSSCGKSA-N 324.425 -0.521 30 20 DBED C=CCNC(=O)CNCCCNC(=O)c1c[nH]c(C(N)=O)c1 1176153443 VBFIADMKMXXOSQ-UHFFFAOYSA-N 307.354 -0.875 30 20 DBED C#CCNC(=O)CNCCCNC(=O)CCC(=O)N(CC)CC 1176772992 OXXBAXHAEZMATM-UHFFFAOYSA-N 324.425 -0.520 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2cc[n+]([O-])cc2)C1 1180781147 ZNLRZUIQWJLRGW-TZMCWYRMSA-N 318.377 -0.185 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)c2[nH]c(O)nc2C)C1 1183475998 VCJHFFZWWZELRH-SNVBAGLBSA-N 307.354 -0.470 30 20 DBED CC#CCN1C[C@@H]2CCN(C(=O)CCS(=O)(=O)NC)[C@@H]2C1 1187919755 WGKJMOPQSJCULU-QWHCGFSZSA-N 313.423 -0.518 30 20 DBED CC[C@H](C(=O)N1CC[C@H]2CN(CC(=O)NCC#N)C[C@H]21)N(C)C 1188314347 IFILYZOXXGDMNR-BFHYXJOUSA-N 321.425 -0.501 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@@H](N(C)CC(=O)NCC#N)C1 1190094752 MYAGMJWKRPOOGE-QWHCGFSZSA-N 306.366 -0.803 30 20 DBED C#Cc1cncc(C(=O)N2CC[C@@H](N(C)CC(=O)NC)C2)c1 1192277029 OSPODLBVVFZXCW-CQSZACIVSA-N 300.362 -0.045 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2ncccn2)C[C@H]1O 1192891301 JZHWYQSFMMHLAV-JHJVBQTASA-N 304.350 -0.824 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)Cc2ncc(CC)[nH]2)C1 1193875525 ZEAQNXIKDHLGQR-ZIAGYGMSSA-N 322.409 -0.122 30 20 DBED N#CCNC(=O)CN1CCCN(C(=O)C2=COCCO2)CC1 1194713784 GEQZTZOLZFZDLC-UHFFFAOYSA-N 308.338 -0.951 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCCN(C(=O)c2cncnc2)CC1 1195598262 VJLCHOWWZDKCBA-CYBMUJFWSA-N 315.377 -0.238 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)CCCCN2CCOCC2)C1 1196933693 WEGRUFUOUBYFEY-HUUCEWRRSA-N 309.410 -0.717 30 20 DBED CC[C@@H](CC(C)C)C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1O 1197574369 BDLVYAHEPJWOAO-BFHYXJOUSA-N 324.425 -0.140 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)c2cnn(C)c2)CC1 1199242456 UYDAMCOVUISKCM-UHFFFAOYSA-N 305.382 -0.084 30 20 DBED C=C(Cl)CNC[C@H]1CN(C(=O)Cn2ncnn2)CCCO1 1200519472 GAARJSSDAWTPQH-NSHDSACASA-N 314.777 -0.367 30 20 DBED COCC#CCNC1CCN(C(=O)COCCN(C)C)CC1 1203349691 XOEZVWVDBNRLKM-UHFFFAOYSA-N 311.426 -0.205 30 20 DBED C#CCCN[C@@H]1C[C@@H](NC(=O)CS(=O)(=O)NC)C12CCC2 1203744484 ZSULRMBVWULQKK-VXGBXAGGSA-N 313.423 -0.424 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)c2cnnn2C)[C@H](C)C1 1206919195 LNCVQIMDFCMCLA-IJLUTSLNSA-N 320.397 -0.444 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@H](NCC#CCOC)C1 1207869826 MAOADQMXXBQUBU-AWEZNQCLSA-N 305.378 -0.644 30 20 DBED C=CCOCCN1C[C@@H](NC(=O)CCNC(N)=O)[C@H](OC)C1 1213831258 HYANMBGOBGNCGH-VXGBXAGGSA-N 314.386 -0.937 30 20 DBED COC[C@@H](O)CN[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C 1214463952 IWYOQQAHOAPBFW-DDTOSNHZSA-N 306.366 -0.056 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)[C@@H]2CCC(=O)NC2)C[C@H]1C 1215033671 ISBVYQNQOFFANF-MGPQQGTHSA-N 307.394 -0.401 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@@]2(C)CCNC2=O)C[C@H]1C 1215527913 XWGHKDDUNQSCKG-HSMVNMDESA-N 322.409 -0.749 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)CCN(C)CC)C[C@H]1C 1216229548 JYNQISQUMZBRIN-QLFBSQMISA-N 322.453 -0.097 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2ccccc2)C1 1219105292 WGPSDYMCDVVLGW-KGLIPLIRSA-N 301.346 -0.789 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C2CCCCCC2)C1 1219328314 KTPAIBGIGNEVLB-CABCVRRESA-N 321.421 -0.133 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)c2n[nH]c(C)c2O)C1 1219467145 DBPBBMWSKAJZAY-MNOVXSKESA-N 310.354 -0.599 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)[C@@H](C)Cc2cnc[nH]2)C1 1220520411 UFERMSMNBNSLNK-CFVMTHIKSA-N 320.393 -0.601 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(CCn2cccn2)C[C@@H]1O 1221139723 KTNQUWUGFVQBEO-KGLIPLIRSA-N 308.382 -0.363 30 20 DBED COC[C@H](C)C(=O)N1CC[C@H]2CCN(CC(=O)NCC#N)[C@H]2C1 1222423668 SZKYAKZVAXNSHE-MJBXVCDLSA-N 322.409 -0.169 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)c1cnn(CC)c1 1231264135 SLCAKGDVXCXPMU-AWEZNQCLSA-N 317.393 -0.201 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)Cc1cccnc1 1233705539 DFOUUGFJDNDMCC-OAHLLOKOSA-N 314.389 -0.094 30 20 DBED C#CCNCC(=O)NCC(=O)Nc1cc(OC)cc(OC)c1 1263091251 IPURHWXKKVVPRK-UHFFFAOYSA-N 305.334 -0.019 30 20 DBED N#CCNC(=O)CN1CC[C@H](NC(=O)c2cn3c(n2)CCC3)C1 1316978205 RVAFOZFHBBDCPG-NSHDSACASA-N 316.365 -0.727 30 20 DBED C#CCOCCNC(=O)C(=O)NCCNC(=O)OC(C)(C)C 1321666789 VDMWTQLNLVJVML-UHFFFAOYSA-N 313.354 -0.607 30 20 DBED C=CCN1CCC(NC(=O)C(=O)NOC[C@@H]2CCOC2)CC1 1322802788 RALLLTLHSCEPIG-GFCCVEGCSA-N 311.382 -0.163 30 20 DBED Cc1cnc(Cl)c(NC(=O)C(=O)NCC(=O)NCC#N)c1 1323360172 TUXFYYRLBAXAOM-UHFFFAOYSA-N 309.713 -0.262 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CCO[C@]2(CCO[C@H]2C)C1 1324237765 YMSAZQOPKXQVJT-YWPYICTPSA-N 312.366 -0.290 30 20 DBED CC#CCCNC(=O)C(=O)NC[C@@H]1CC[C@@H](C(=O)N(C)C)O1 1324403521 LKAIQUJZNIOHIC-RYUDHWBXSA-N 309.366 -0.732 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N(CC)CCOCC)nn1 1326250680 PBHDPONTHVXYBM-UHFFFAOYSA-N 309.370 -0.035 30 20 DBED C=C(C)COCCNC(=O)C(=O)N[C@H]1C[C@@H]2CCCCN2C1=O 1326359702 KSBASQXDVFKLDG-STQMWFEESA-N 323.393 -0.035 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N[C@H]1C[C@H]2CCCCN2C1=O 1328967538 GGTRWTDHWXYDFB-OLZOCXBDSA-N 323.393 -0.083 30 20 DBED CO[C@H](C)CNC(=O)C(=O)NCCNc1ccc(C#N)cn1 1330669226 YOYBTAMGOVCEAD-SNVBAGLBSA-N 305.338 -0.368 30 20 DBED CC[C@@]1(CO)CCCN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)C1 1332371986 JUUPTJURLWUXKD-HZPDHXFCSA-N 323.393 -0.125 30 20 DBED CC(C)N1CC[C@@H](NC(=O)C(=O)N2CCC[C@@H](C#N)C2)C1=O 1334640162 JMDXLWKGTSAVRD-NWDGAFQWSA-N 306.366 -0.126 30 20 DBED C#CCOCCn1nnnc1N1CCC(NC(=O)OC)CC1 1334943610 NMAKHHMTGUMJLW-UHFFFAOYSA-N 308.342 -0.352 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N1CC[C@H](n2cncn2)C1 1336593922 FXRIQWISQPMYNL-STQMWFEESA-N 319.365 -0.404 30 20 DBED C#CCSCCNC(=O)C(=O)N1CCC[C@@H](OCCO)C1 1346610959 SBDMOTRBUBYVQU-GFCCVEGCSA-N 314.407 -0.531 30 20 DBED N#Cc1cn(CC(=O)NCc2ccc(O)c(F)c2)c(=O)nc1O 1362454050 VIUXSCCKARZPOB-UHFFFAOYSA-N 318.264 -0.018 30 20 DBED Cc1cc(NC(=O)N2CCN(CC(N)=O)C(=O)C2)ncc1C#N 1364410492 YUDVHRJPXBHBTQ-UHFFFAOYSA-N 316.321 -0.577 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)NCc1nc2ncccn2n1 1364880869 LROKEVHEGUYQMF-SECBINFHSA-N 309.355 -0.450 30 20 DBED N#Cc1cccc(CN2CC(CNC(=O)Cn3ncnn3)C2)c1 1366962105 JYEPUYNQYKVGHC-UHFFFAOYSA-N 311.349 -0.207 30 20 DBED Cc1c(C(=O)N(C)CCNC(=O)c2cc(C#N)c[nH]2)nnn1C 1373397957 WYFZOJLVPUOAPV-UHFFFAOYSA-N 315.337 -0.175 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)CCCn2cncn2)C1 1386219909 GTMKGYVDEJFOMG-IJLUTSLNSA-N 304.354 -0.019 30 20 DBED CCN(CCNC(=O)[C@H](C)C#N)CC(=O)NC[C@@H]1CCCO1 1390884903 GQGRPCOUWRCGFF-OLZOCXBDSA-N 310.398 -0.121 30 20 DBED COCc1noc(CN2CC(O)(CNC(=O)[C@@H](C)C#N)C2)n1 1402327273 ZLTRZCJMNNOMKH-VIFPVBQESA-N 309.326 -0.961 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](C)CNC(=O)C(C)(C)NS(C)(=O)=O 1408180549 YDQHABINAZWWLG-DTWKUNHWSA-N 318.399 -0.905 30 20 DBED Cn1cc(C(C)(C)NC(=O)Cn2cc(C#N)c(O)nc2=O)cn1 1411810406 FOGHLGANLVEANP-UHFFFAOYSA-N 316.321 -0.394 30 20 DBED CC(C)(NC(=O)Cn1cc(C#N)c(O)nc1=O)c1ncc[nH]1 1417842249 ZETXFXGKSJBODO-UHFFFAOYSA-N 302.294 -0.405 30 20 DBED Cc1c(C(=O)NC[C@@H](NC(=O)[C@@H](C)C#N)C2CC2)nnn1C 1429946644 MVPQAKVREYNNRV-GZMMTYOYSA-N 304.354 -0.092 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H](CNC(=O)Cn2cncn2)C1 1430304791 RMZXWGFVHBEQQU-NEPJUHHUSA-N 304.354 -0.207 30 20 DBED COCC(=O)N(C)CC(=O)N(C)CCN(C)C(=O)[C@@H](C)C#N 1433179766 HTYAEYIEDACFAP-NSHDSACASA-N 312.370 -0.832 30 20 DBED CNC(=O)NC1CCN(S(=O)(=O)N(C)CCC#N)CC1 1434580159 PCEZKAGWRSDJSN-UHFFFAOYSA-N 303.388 -0.530 30 20 DBED Cc1n[nH]c(C)c1NC(=O)CN1CC(NC(=O)[C@@H](C)C#N)C1 1443454559 BYUSNIPJNCQQCV-QMMMGPOBSA-N 304.354 -0.075 30 20 DBED CCC(=O)N[C@H](C)C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N 1454633770 SMZGHWDXIYLMPW-SECBINFHSA-N 320.353 -0.029 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C)C(=O)[C@H](C)CN1CCOCC1 1455432191 IARHTBQPGKYHEP-QWHCGFSZSA-N 310.398 -0.311 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1noc2c1CCCC2 1458034453 KTDOUECRAWQCDG-NXEZZACHSA-N 320.349 -0.080 30 20 DBED C[C@@H](C#N)C(=O)N(C)C[C@H]1CCN(C(=O)Cn2cncn2)C1 1497939812 XICBYBKLXQUSMC-NWDGAFQWSA-N 304.354 -0.255 30 20 DBED CC[C@H](CNC(=O)CNC(=O)OC)NC(=O)c1cc(C#N)c[nH]1 1498942108 GTKYXTVTNIIIOX-SNVBAGLBSA-N 321.337 -0.133 30 20 DBED CC(=O)N[C@H](C)C(=O)NC1(CNC(=O)c2cc(C#N)c[nH]2)CC1 1535193083 OIVDMHMBFSFCCX-SECBINFHSA-N 317.349 -0.210 30 20 DBED CN(C)C[C@@]1(O)CCN(C(=O)CNc2ccc(C#N)cn2)C1 1548745089 CPOIFMTXFIXPQB-HNNXBMFYSA-N 303.366 -0.110 30 20 DBED C[C@@H](C#N)C(=O)NCC1(N=c2cc[nH]cc2-c2nn[nH]n2)CC1 1588929304 VPOFTGMOKXRZDC-VIFPVBQESA-N 312.337 -0.096 30 20 DBED Cc1c(C#N)c(NC(=O)CN2CCC[C@H](C(=O)O)C2=O)nn1C 1599973540 YLHXAHDNQCEPBB-VIFPVBQESA-N 319.321 -0.138 30 20 DBED C#CCN(CC(=O)O)C(=O)C1=CC=CN2CCS(=O)(=O)N=C12 1602683118 ZLOANHRXSPHTJR-UHFFFAOYSA-N 323.330 -0.970 30 20 DBED CN(C)C(=O)Cn1cc(C(=O)NCc2ccc(C#N)cn2)nn1 1645783394 DQHDQCFNZXUCRX-UHFFFAOYSA-N 313.321 -0.437 30 20 DBED CC(C)[C@@H](C(=O)NCC1(NCC(=O)NCC#N)CCC1)N(C)C 1717153112 NSRRQCTXPCQAPO-AWEZNQCLSA-N 323.441 -0.159 30 20 DBED C#CCNC(=O)CN(CCCNC(=O)c1[nH]nnc1C)C1CC1 1752267333 HFSSPLCAACWELZ-UHFFFAOYSA-N 318.381 -0.553 30 20 DBED COCC#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)c1nccnc1N 1752531562 INGCZTMUIOYDPS-BETUJISGSA-N 315.377 -0.003 30 20 DBED C#CCNC(=O)CN1CCCC[C@@H]1CNC(=O)c1cnn[nH]1 1752828274 UGKQQJQHRTWSNV-LLVKDONJSA-N 304.354 -0.862 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H](C)N[C@H]2CCC(=O)NC2=O)nc1 1752912496 DIZBJULJJKVEOK-MFKMUULPSA-N 314.345 -0.424 30 20 DBED C#CCNC(=O)CN(C)CCNC(=O)C[C@@H](C)c1cnn(C)c1 1753057906 GRVXNTAJRFSBOC-CYBMUJFWSA-N 319.409 -0.289 30 20 DBED CCN(CCNC(=O)[C@H]1CCN(C)[C@@H](C)C1)CC(=O)NCC#N 1753087948 WWNCPLLOSWBVOO-KBPBESRZSA-N 323.441 -0.205 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC(NC(=O)Cn2nccc2C)C1 1753390575 WZAOAIAJWLOQTI-GFCCVEGCSA-N 303.366 -0.870 30 20 DBED COCC#CCN1CCO[C@@H](CNC(=O)Cc2cc[nH]n2)C1 1753655032 ABIVPSCLQQSHFF-AWEZNQCLSA-N 306.366 -0.581 30 20 DBED C#CCCN1CCO[C@H](CNC(=O)CS(=O)(=O)C(C)C)C1 1753657430 BEKCLEDRWLIKRO-CYBMUJFWSA-N 316.423 -0.350 30 20 DBED C=CCNC(=O)NC(=O)CNC[C@@H](C)NC(=O)c1cc[nH]c1 1754227141 PVCPLFUBOPIPQL-SNVBAGLBSA-N 307.354 -0.266 30 20 DBED CC#CCNC1(CNC(=O)[C@H](CCC)S(N)(=O)=O)CC1 1754525939 KMSIMMVGMLPSFM-NSHDSACASA-N 301.412 -0.295 30 20 DBED CC[C@@H](C)NC(=O)[C@H](C)N1CC(O)(CNC(=O)C#CC2CC2)C1 1754767677 PLAOGZXESJJBJE-OLZOCXBDSA-N 321.421 -0.134 30 20 DBED C=CCCCC(=O)NCC1(O)CN(CCS(C)(=O)=O)C1 1754773246 IBBARLBSEDAJBR-UHFFFAOYSA-N 304.412 -0.450 30 20 DBED C#CCCN[C@H](CO)CNC(=O)c1cnc2ccccn2c1=O 1755642754 MMBHLGCZOLYZMR-LBPRGKRZSA-N 314.345 -0.602 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@H](C)N(C(=O)c2ncccc2O)C1 1755673029 FNOJYAVBDNYOJU-RYUDHWBXSA-N 316.361 -0.271 30 20 DBED Cc1cn2ccnc(C(=O)N(C)C[C@H](O)CNCC#N)c2n1 1755791927 QUXFEFVTWVJOHI-LLVKDONJSA-N 302.338 -0.416 30 20 DBED C#CCCCCC(=O)NC[C@H](CO)NC(=O)c1cn(C)cn1 1756513326 FIGNGODQTGNJBS-GFCCVEGCSA-N 306.366 -0.179 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)c2cccnn2)C[C@H]1OC 1757120453 ZBMBSQZQOVCPOZ-CHWSQXEVSA-N 320.349 -0.365 30 20 DBED CN(C[C@H]1CCN1C(=O)[C@H]1CC(=O)N(C)C1)C(=O)C#CC1CC1 1757290346 QIIJBOXSAWAOIM-UONOGXRCSA-N 317.389 -0.063 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)NC1CCN(CC(=O)O)CC1 1776215361 PHHATJYHKZYFFM-JTQLQIEISA-N 318.399 -0.539 30 20 DBED C#CCCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)NC=O)C2)C1 1781253090 RAWJEPPLWZRPCJ-BBRMVZONSA-N 321.377 -0.636 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccc(O)n1)CCO2 1783048355 ZDWDASJCYDSERR-MRXNPFEDSA-N 315.329 -0.136 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)=O)C2 1793342383 KINHXEXBKGCEPB-YIYPIFLZSA-N 322.361 -0.797 30 20 DBED C=CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(=O)N(C)C 1795465235 ZOABCXDTQWZUTE-PTEHBNRSSA-N 309.366 -0.760 30 20 DBED CC(C)(C#N)C(=O)N1CCCC12CN(C(=O)C1=NNC(=O)C1)C2 1841137479 QXPOXKRUAMHXDV-UHFFFAOYSA-N 317.349 -0.385 30 20 DBED COCC(=O)N1CCN(CC(=O)N[C@](C)(C#N)C(C)C)CC1 47995724 BFUXZDBNXFMOMW-OAHLLOKOSA-N 310.398 -0.169 30 20 DBED COCCN(CCC#N)C(=O)Cn1nc2ccccn2c1=O 103215307 YHSAIIGBYUUYJY-UHFFFAOYSA-N 303.322 -0.115 30 20 DBED CN(CC(=O)N[C@@](C)(C#N)C1CC1)C[C@H](O)CN1CCOCC1 177368132 BLEMIADZKQMGOV-HOCLYGCPSA-N 324.425 -0.580 30 20 DBED CC(C)(C)N/C(N)=N/CCC(=O)N[C@@H]1CCS(=O)(=O)C1 261963473 AAFROZVFFPUZAL-SECBINFHSA-N 304.416 -0.617 30 20 DBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@H](O)C1 268919887 QAFSCMKHGVJXGX-JQWIXIFHSA-N 323.374 -0.182 30 20 DBED CCCN(CC(=O)OCC)c1c(C#N)c(=O)n(C)c(=O)n1C 270372323 NCHDVKXKKDAECO-UHFFFAOYSA-N 308.338 -0.265 30 20 DBED C#CCOc1ccccc1NC(=O)C(=O)N[C@@H]1CC(=O)N(C)C1 274910161 GTMDBTYNKYHIMO-LLVKDONJSA-N 315.329 -0.016 30 20 DBED C=C[C@H](CO)NC(=O)N[C@@H]1CCN(c2cc(C)nn2C)C1=O 291131483 WHPPHESNJBEEDG-GHMZBOCLSA-N 307.354 -0.320 30 20 DBED CC1(C)C[C@]1(C#N)NC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 291423455 KVIUSLGFRXGCDQ-FUJJGRPTSA-N 317.345 -0.043 30 20 DBED C=C[C@@H](CO)NC(=O)N[C@H]1CCCN(c2nccn(C)c2=O)C1 291599915 QNDWZMYCZKONGW-RYUDHWBXSA-N 321.381 -0.405 30 20 DBED CC(C)N1C[C@@H](/N=C(/O)N2CCS(=O)(=O)CC2)CC1=O 329816302 OBXQBKVCYKZMMY-JTQLQIEISA-N 303.384 -0.360 30 20 DBED CC[C@H](/N=C(/O)N1CCn2ncnc2C1)C(=O)N1CCOCC1 329960533 NYOBXTJHJYUAKC-NSHDSACASA-N 322.369 -0.355 30 20 DBED CNC(=O)Cn1cc(N/C(O)=N/[C@H](C)CN2CCOCC2)cn1 330534489 UQWWXLQNPMDVFB-LLVKDONJSA-N 324.385 -0.324 30 20 DBED CN1CCO[C@H]2CN(C(=O)C(=O)Nc3ccc(C#N)cn3)C[C@H]21 332264422 FCLXUUYECBOEGO-NEPJUHHUSA-N 315.333 -0.567 30 20 DBED COCCN(CCC#N)S(=O)(=O)NCCCC(=O)N(C)C 336918301 OWYNGTIGJUSVJX-UHFFFAOYSA-N 320.415 -0.449 30 20 DBED CCOC(=O)[C@H](CO)NS(=O)(=O)Cc1ccc(C#N)cc1 341578871 WSCNPTIQRSRDJF-LBPRGKRZSA-N 312.347 -0.098 30 20 DBED Cc1nc(NCCn2cnc(C#N)n2)sc1S(N)(=O)=O 343514006 CCAXTHWHWNWOCF-UHFFFAOYSA-N 313.368 -0.326 30 20 DBED COC[C@@H](C)S(=O)(=O)N(CCC#N)CCN1CCOCC1 344554369 ABEVQZSUESSXKC-CYBMUJFWSA-N 319.427 -0.101 30 20 DBED CC(=O)N[C@H](CC(=O)N[C@@H](C#N)c1ccccc1F)C(N)=O 345973146 WISTZPMCMSVPCY-NEPJUHHUSA-N 306.297 -0.113 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N1CCOC[C@]12CCOC2 369501761 ULHGMAZCVRRPTQ-VXGBXAGGSA-N 303.384 -0.186 30 20 DBED N#CCCS(=O)(=O)N1CCCC[C@H]1C(=O)N1CCOCC1 408454053 APEPXXIJAHRSIJ-LBPRGKRZSA-N 315.395 -0.057 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CCNC[C@@H]2CCC)nn1 424542948 IXFJYWKEJZSGFI-ZDUSSCGKSA-N 320.397 -0.319 30 20 DBED C#CCN1CCN(C(=O)CN(C)[C@@H](C)CS(C)(=O)=O)CC1 490781122 WNZCPLZIRVMDTF-ZDUSSCGKSA-N 315.439 -0.871 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)CN2CC[C@@H](C)C2)CC1 491690653 MSCOKEDDTDMNCN-OAHLLOKOSA-N 320.437 -0.388 30 20 DBED Cn1cc(S(=O)(=O)NCCn2cnc(C#N)n2)cc1C(=O)O 505834895 VIRZURNCRPETHB-UHFFFAOYSA-N 324.322 -0.835 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)CCNS(C)(=O)=O)C1=O 518474042 IVSWIYSVKIVEMV-JTQLQIEISA-N 303.384 -0.829 30 20 DBED N#Cc1ccncc1N1CCN(C(=O)CSCC(N)=O)CC1 557746010 CIJTZYNYAOABRU-UHFFFAOYSA-N 319.390 -0.180 30 20 DBED N#Cc1ccc(S(=O)(=O)N2CCC[C@H]([C@@H](O)C(=O)O)C2)o1 563550530 SYVOSLVVYLTNNF-GZMMTYOYSA-N 314.319 -0.003 30 20 DBED CC[C@H](C#N)C(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 593472064 DQGRERPUKLSPMA-CHWSQXEVSA-N 308.382 -0.415 30 20 DBED CC#CC[C@@H](CO)NC(=O)Nc1ccn(CC(=O)OCC)n1 594172759 PMDJWHKDOLHCBS-NSHDSACASA-N 308.338 0.342 30 20 DBED CNS(=O)(=O)N1CCN(C(=O)c2ccccc2CC#N)CC1 601565358 FQGHYPIERXKNIS-UHFFFAOYSA-N 322.390 -0.025 30 20 DBED CC#CC[C@@H](CO)NC(=O)c1cc(S(N)(=O)=O)cnc1C 655159638 BDMXIRGRYFGEEL-JTQLQIEISA-N 311.363 -0.458 30 20 DBED CC(=NNC(=S)NCC(N)=O)c1cccc(OCC(=O)O)c1 737539861 MFVYVAOREVXPSL-UHFFFAOYSA-N 324.362 -0.177 30 20 DBED C#CCOc1ccc(NC(=O)C(=O)N[C@@H]2CC(=O)N(C)C2)cc1 749687081 OSJPZVVQFIMCMW-GFCCVEGCSA-N 315.329 -0.016 30 20 DBED C=CCNC(=O)COC(=O)c1ccc(CNS(C)(=O)=O)o1 754133349 FNNCCOJOJKUEBX-UHFFFAOYSA-N 316.335 -0.212 30 20 DBED C=CCNC(=O)CNC(=O)NC[C@H]1COC2(CCOCC2)O1 776943543 ITEMTSKVZAHPQA-NSHDSACASA-N 313.354 -0.490 30 20 DBED C=CCNS(=O)(=O)c1ccc(C(=O)Nn2cnnc2O)cc1 777767415 IOPWYOAJZCMPBS-UHFFFAOYSA-N 323.334 -0.168 30 20 DBED C=C(CO)C(=O)NCC(=O)N1CCN(c2ccccc2)CC1 791346200 FYYYMANRFISYNA-UHFFFAOYSA-N 303.362 0.000 30 20 DBED O=C1NC(=O)C(=NNC(=S)Nc2ccccc2F)C(=O)N1 814213444 ARHBMVPVGGDGQF-UHFFFAOYSA-N 309.282 -0.166 30 20 DBED C#CCN(CC#CC)c1nnc([C@@H]2CNC(=O)C2)n1CCOC 818280461 CMQTUKAMUOTXCU-ZDUSSCGKSA-N 315.377 -0.009 30 20 DBED C#CC[C@@H](CO)NC(=O)C1=NN(c2ccccc2)C(=O)[C@H](C)N1 820065169 VBCXWQRNVGJBSC-RYUDHWBXSA-N 314.345 -0.175 30 20 DBED CN1CCC(C#N)(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 821622168 UWXCNDGANMMFNM-UHFFFAOYSA-N 300.326 -0.087 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 822573322 ZKBNMNYQWSFVBH-ZDUSSCGKSA-N 321.377 -0.682 30 20 DBED C#C[C@@H](NC(=O)Cn1nc2n(c1=O)CCCC2)[C@H]1CCCO1 844485969 SCCOLZONSPAQPR-VXGBXAGGSA-N 304.350 -0.322 30 20 DBED C#CCN(CC(=O)O)S(=O)(=O)C[C@H]1CCCS(=O)(=O)C1 849218435 BRXQSYAKBVFABY-JTQLQIEISA-N 323.392 -0.839 30 20 DBED C#CC[C@H](CO)NC(=O)CNS(=O)(=O)c1ccccc1F 854548674 VNXXJOXAFMBRPC-SNVBAGLBSA-N 314.338 -0.396 30 20 DBED C#C[C@@H](NC(=O)C(=O)N1C[C@@H]2CCNC[C@@H]2C1)[C@@H]1CCCO1 911148621 YGVJNKRGWXVDQA-DGAVXFQQSA-N 305.378 -0.649 30 20 DBED C#CCN1CCN(C(=O)CN2CCC[C@@H]2C2OCCO2)CC1 933902715 DJBWXEXYRBGKIB-CQSZACIVSA-N 307.394 -0.399 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C2CN(CC(=O)N3CCC3)C2)CC1 941344315 GWDXKMCBLVPFSF-CYBMUJFWSA-N 319.409 -0.793 30 20 DBED CCN1CCOC[C@H]1C(=O)N1CCCN(C(=O)[C@@H](C)C#N)CC1 941526082 AELXPODIBBKWHC-KBPBESRZSA-N 322.409 -0.072 30 20 DBED Cn1ncc(C(=O)N[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)n1 941556183 FNDKPPLOZLXFQF-SNVBAGLBSA-N 313.321 -0.341 30 20 DBED N#CCN1CCOC2(CCN(C(=O)[C@H]3CC[C@H]3C(N)=O)CC2)C1 949430248 PBLRYVBENXMKKR-OLZOCXBDSA-N 320.393 -0.285 30 20 DBED C=CCCN1CCOC2(CCN(C(=O)[C@H]3CNC(=O)N3)CC2)C1 949454071 BNCLGNZEQHGUFB-CYBMUJFWSA-N 322.409 -0.063 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@@H]1CNC(=O)[C@H]1CN(C)C(=O)N1 951468953 XBAQBMYSGRDAPC-GHMZBOCLSA-N 308.382 -0.061 30 20 DBED Cc1ccc(=O)n(CC(=O)N(C)C2CN(C(=O)[C@H](C)C#N)C2)n1 954925705 VKLMAHBNCDYLMF-SNVBAGLBSA-N 317.349 -0.619 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@H]2COC(=O)N2)C1 955364973 ZHNYMZJFNRSUDJ-UTUOFQBUSA-N 323.349 -0.645 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cnc3[nH]nnc3c2)C1 958135524 OTKATKUAGPRLAD-CMPLNLGQSA-N 300.322 -0.991 30 20 DBED C#CCN1C[C@H](CNC(=O)c2cc3n(n2)CCCO3)[C@@H](O)C1 958254734 ROSHPXKYRGHYMN-AAEUAGOBSA-N 304.350 -0.679 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2ccccn2)C1 958407193 ZUMFZGQPZVDCIS-DRZSPHRISA-N 302.334 -0.115 30 20 DBED Cn1nncc1CN1C[C@H]2C(NC(=O)c3cc(C#N)c[nH]3)[C@@H]2C1 958499394 CIIFRNPDJOGOQX-VXGBXAGGSA-N 311.349 -0.125 30 20 DBED C#CCCN1C[C@@H](O)[C@H](CNC(=O)c2cn(C(C)C)nn2)C1 958550622 CXIHHIMCPKFLRM-TZMCWYRMSA-N 305.382 -0.095 30 20 DBED C=C(C)CN1C[C@@H](O)[C@@H](CNC(=O)c2nccnc2C(N)=O)C1 958655108 ZZKHXDXHFHMCPL-WDEREUQCSA-N 319.365 -0.826 30 20 DBED CCn1ncc(C(=O)N(C)[C@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)n1 958840107 NIGUVFBPCKZECP-USWWRNFRSA-N 320.353 -0.899 30 20 DBED C=CCN1CC[C@H](N2C[C@@H]3C(NC(=O)c4cnon4)[C@H]3C2)C1=O 962101810 QRDYIAKOXPHXMX-NHCYSSNCSA-N 317.349 -0.484 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CN(C(=O)c3ncc[nH]3)CCO2)C1 965376058 FAKQAFSHCZZCHK-JTQLQIEISA-N 303.322 -0.377 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC2(CN(C(=O)c3cncnc3)C2)C1 965474846 RQDTXMFWOKANKD-NSHDSACASA-N 315.333 -0.310 30 20 DBED C#CCCN1CCO[C@@]2(CCN(C(=O)[C@H]3CCN(C)C3=O)C2)C1 972506680 OBDXPFZUNXYOCZ-YOEHRIQHSA-N 319.405 -0.209 30 20 DBED CC(C)(C(N)=O)C(=O)N1C[C@H]2CCN(C(=O)C#CC3CC3)C[C@H]21 972658562 PRHOKTXMFTXDNX-CHWSQXEVSA-N 317.389 -0.029 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1 974393345 RTLZESNOKAWDQJ-ROHXPCBUSA-N 322.365 -0.978 30 20 DBED N#Cc1c[nH]c(C(=O)N2C[C@H]3[C@H](NC(=O)Cn4ccnc4)[C@H]3C2)c1 976762314 UJSQLVJMSSBJHV-JYAVWHMHSA-N 324.344 -0.030 30 20 DBED CC#CCN1CCCC2(C1)CN(C(=O)[C@@H]1CC(=O)NC(=O)N1)C2 982041999 DHBFSCUYNOMYNC-LBPRGKRZSA-N 318.377 -0.468 30 20 DBED CN(C(=O)C(N)=O)[C@@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1 984101987 LWZAWERJHINPEM-LLVKDONJSA-N 303.322 -0.565 30 20 DBED N#Cc1c[nH]c(C(=O)NC2CN(C(=O)Cc3cncnc3)C2)c1 990696855 VQNULYWGZHKOCM-UHFFFAOYSA-N 310.317 -0.140 30 20 DBED C=CCn1cc(C(=O)N2CC(NC(=O)c3nc(C)c[nH]3)C2)nn1 991989077 WSZVISVOOJPZEU-UHFFFAOYSA-N 315.337 -0.250 30 20 DBED CC(C)N1C[C@@H](C(=O)NC2CN(C(=O)[C@@H](C)C#N)C2)CC1=O 993778707 DXDIBGULGCHMOY-QWRGUYRKSA-N 306.366 -0.270 30 20 DBED C[C@H](C#N)C(=O)N1CC(NC(=O)Cc2ccc(C(N)=O)cc2)C1 994357979 SJUCRLOQOPCDQX-SNVBAGLBSA-N 314.345 -0.185 30 20 DBED C#CCN[C@H]1CN(C(=O)c2nnn(C)n2)CC[C@H]1C(F)(F)F 998276003 KYMKDWDKOOUQBE-BDAKNGLRSA-N 316.287 -0.174 30 20 DBED C#Cc1cncc(C(=O)N2CC(CNC(=O)c3ncn(C)n3)C2)c1 1001728630 SPVGRLWMEQFDGY-UHFFFAOYSA-N 324.344 -0.307 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](NC(=O)c2nnn(C)n2)C(C)(C)C1 1008447702 HEABAMAJHOLVEK-DTWKUNHWSA-N 305.342 -0.663 30 20 DBED C=CCn1cccc1C(=O)N[C@H]1C[C@H](C)N(C(=O)C(N)=O)C1 1013981563 CPCKZCBRUPPJGR-QWRGUYRKSA-N 304.350 -0.121 30 20 DBED N#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CCc2nnnn2CC1 1017974694 DKGCHESTOBVOBP-RWMBFGLXSA-N 315.381 -0.176 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(CN(C(=O)c3nnn(C)n3)C2)C1 1019294796 ZNKZXDOYKUQHNR-VIFPVBQESA-N 303.326 -0.956 30 20 DBED N#Cc1ccccc1CN[C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 1019309049 ODWASTJQNSAGPE-UONOGXRCSA-N 313.361 -0.070 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCN(C(=O)CN3CCCC3=O)C2)C1 1019361286 BGCCCBDMCSRFCL-LBPRGKRZSA-N 318.377 -0.171 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C2CCC2)C1 1022872095 XVPOOBUGQNLTSZ-QLFBSQMISA-N 319.405 -0.428 30 20 DBED O=C(Cc1ccon1)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1023241683 SFBMQKMUBNOKAZ-CHWSQXEVSA-N 303.318 -0.682 30 20 DBED Cc1ncc(CC(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2O)o1 1024145075 MDTIPUXQBCZXCF-XXILOJSOSA-N 306.322 -0.627 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2cncs2)C1 1024179199 DTADCHFSFLYMLE-JMJZKYOTSA-N 308.363 -0.467 30 20 DBED C=C(C)CN[C@@H]1CC[C@@H]2CN(C(=O)CN3CC(=O)NC3=O)C[C@@H]21 1026376542 CGUDGNIZUOXTTA-FRRDWIJNSA-N 320.393 -0.059 30 20 DBED C#CCN1CC(CNC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 1031869866 ZZOFZBNPSWZKJU-CVEARBPZSA-N 321.421 -0.453 30 20 DBED C#CCN1CC[C@@H](N(C)C(=O)CN2C(=O)CC(C)(C)C2=O)C1 1033078115 JLRPEZPGCNRLIQ-GFCCVEGCSA-N 305.378 -0.063 30 20 DBED C#CCN1CC[C@@H](N(C)C(=O)[C@H]2CCc3nnnn3CC2)C1 1033436383 IIJIYMWCMUZGIA-QWHCGFSZSA-N 302.382 -0.209 30 20 DBED CC#CCN1CCCC[C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C1 1034530255 BTMRMUAPBJRAIZ-CHWSQXEVSA-N 313.423 -0.328 30 20 DBED C[C@@H]1CN(C(=O)c2cn(C)c(=O)nc2O)CC[C@H]1NCC#N 1036305941 NFEKVUGKUWJANB-MWLCHTKSSA-N 305.338 -0.550 30 20 DBED CC(C)C#CC(=O)NC[C@]1(O)CCN(C(=O)[C@@H](C)CC(N)=O)C1 1039665302 IRGKBNQZKGRWQJ-BLLLJJGKSA-N 323.393 -0.763 30 20 DBED C=CCCC(=O)N1CC[C@@](O)(CNC(=O)CC(=O)N(C)C)C1 1039752797 DYEPAQJVTQVJKY-OAHLLOKOSA-N 311.382 -0.490 30 20 DBED CC(C)C#CC(=O)N1CC[C@@](O)(CNC(=O)Cc2ncc[nH]2)C1 1040694580 MJUPOGAXMQDCRM-MRXNPFEDSA-N 318.377 -0.309 30 20 DBED Cc1[nH]ccc1C(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1O 1040955009 GSOVPIPFGMCLOY-CHWSQXEVSA-N 312.333 -0.036 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CN(c3cnc(F)cn3)C[C@H]2O)c[nH]1 1040956157 GBOXVNHEYZNYIL-GHMZBOCLSA-N 316.296 -0.205 30 20 DBED Cc1ccc(C#N)c(N2C[C@@H](O)[C@H](NC(=O)c3nc[nH]n3)C2)n1 1041133360 KSXXXSOEVROPSR-GHMZBOCLSA-N 313.321 -0.641 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(O)(CNC(=O)c2cc[nH]n2)C1 1041601980 NHSDPZNEPAXFSV-ZDUSSCGKSA-N 308.338 -0.960 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)[C@H]2CCCC(=O)N2)C1 1041963577 UCIHSWPERZJWPA-LLVKDONJSA-N 309.366 -0.689 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)c2cc3n(n2)CCO3)C1 1041973389 YCPVTJYIVSZWNW-UHFFFAOYSA-N 320.349 -0.455 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)[C@H](C)COC)C1 1042035681 RULSVUYQGJKNLC-NEPJUHHUSA-N 314.382 -0.451 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)C(=O)C(C)(C)C)C1 1042154731 RCBADQMAUULDHC-UHFFFAOYSA-N 312.366 -0.506 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(O)(CNC(=O)Cc2ccon2)C1 1042209577 JVXVJXQQWGJUOL-CQSZACIVSA-N 323.349 -0.766 30 20 DBED COC[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2ccc(C#N)[nH]2)C1 1042608665 JCSBOGGRAQKQGM-SNVBAGLBSA-N 320.349 -0.528 30 20 DBED CO[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1NC(=O)c1nc[nH]n1 1042870988 KYDJJYSXMMXOLG-RKDXNWHRSA-N 314.309 -0.900 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)CC(=O)N(C)C)C1 1043103156 GTIYIWYAOWDAJM-UHFFFAOYSA-N 311.382 -0.634 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCN(C)C2)C1 1043116765 QLMBAKAQKVNEQH-CYBMUJFWSA-N 307.394 -0.569 30 20 DBED C=CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2oncc2C)C1 1043569698 CGSOECZLKAMEJS-NSHDSACASA-N 323.349 -0.123 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)c2cnn3cc[nH]c23)C1 1044311757 VRYJJPVEPLHBPV-UHFFFAOYSA-N 317.349 -0.068 30 20 DBED C#CCC1(C(=O)N2CC(O)(CNC(=O)c3nc[nH]n3)C2)CCC1 1044782161 KORTXEYKAJMXGC-UHFFFAOYSA-N 317.349 -0.699 30 20 DBED C=CCn1cc(C(=O)N[C@@]2(C)CCN([C@@H](C)C(N)=O)C2)nn1 1046681301 MTXBLCCMIKYXHZ-HZMBPMFUSA-N 306.370 -0.468 30 20 DBED C=C[C@](C)(O)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C(C)(F)F)C1 1048010501 GUGWHOUYUCGGJG-KWBADKCTSA-N 320.336 -0.001 30 20 DBED C#CCCCC(=O)N(C)[C@H]1CN(C(=O)CN(C)C(C)=O)C[C@@H]1O 1048750633 ZIDCTCUCIPMSFX-KBPBESRZSA-N 323.393 -0.702 30 20 DBED C=CCN1C[C@H]2CN(C(=O)CN3C(=O)NC(=O)C3(C)C)C[C@H]2C1 1049153993 ABIJHVPMBYDNAQ-TXEJJXNPSA-N 320.393 -0.107 30 20 DBED Cc1nnsc1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)C#N)C1 1049387785 ABAPILXYGGEHFD-HGNGGELXSA-N 323.378 -0.350 30 20 DBED C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)CN1CCN(C)C(=O)C1 1049561350 JTXSZWMFJLGRPI-CABCVRRESA-N 318.421 -0.541 30 20 DBED Cn1nncc1CN1CC2(C1)CN(C(=O)C#CC1CC1)CCO2 1053249731 AVLYOKIVUWGPBE-UHFFFAOYSA-N 315.377 -0.358 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)[C@@H]1CCN(C)C(=O)C1)CCO2 1053315018 ZLHPQYMQXVIHIP-CQSZACIVSA-N 319.405 -0.209 30 20 DBED C#CCCN1CC2(CC[C@H](CNC(=O)[C@H]3CNC(=O)N3)O2)C1 1053655465 LOAPIEPFEFAGAN-VXGBXAGGSA-N 306.366 -0.959 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2CCC3(CN(CC#N)C3)O2)nn1 1053673664 DVGBYGKZRAASPA-GFCCVEGCSA-N 316.365 -0.049 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)[C@@H]3CN(C)CCO3)CO2)C1 1053766776 VOYKDWWMVRVMSJ-KGLIPLIRSA-N 307.394 -0.700 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)c3cn(CCOC)nn3)CO2)C1 1053796330 GZEXDUYMLCZJIU-GFCCVEGCSA-N 319.365 -0.869 30 20 DBED C[C@H]1CCN(C(=O)C(=O)N[C@H]2COC3(C2)CN(CC#N)C3)C1 1053976664 HEFKIQGUYRVSDV-NWDGAFQWSA-N 306.366 -0.662 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)[C@H]3CN(CC)CCO3)CO2)C1 1054014759 QSSSFNRTGLAGFT-HUUCEWRRSA-N 321.421 -0.310 30 20 DBED C=CCO[C@H](C)C(=O)N1CCC[C@@](CO)(NC(=O)COC)C1 1055706650 IXISCOPGXGCSFT-IUODEOHRSA-N 314.382 -0.306 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@](CO)(NC(=O)c2cnccn2)C1 1055727576 XXUKVOUESGUNLJ-XHDPSFHLSA-N 317.349 -0.280 30 20 DBED C=CCOCC(=O)N[C@@]1(CO)CCCN(C(=O)c2cn[nH]c2)C1 1055830682 AXXBTLUYCUDWMY-HNNXBMFYSA-N 322.365 -0.304 30 20 DBED O=C(N[C@@]1(CO)CCCN(C(=O)C#CC2CC2)C1)c1cnon1 1056070294 ISJVINQOOACYNH-HNNXBMFYSA-N 318.333 -0.434 30 20 DBED C[C@H](C#N)C(=O)N[C@@]1(CO)CCCN(C(=O)Cc2cnoc2)C1 1056095934 FNSPAOZEGOLGQI-ABAIWWIYSA-N 320.349 -0.154 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCN(CCO)C(=O)CCOC 1056732712 UZQVXGLJPGYSGE-CQSZACIVSA-N 302.371 -0.713 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)CN(C)CCC 1057193143 ASUVLHQGGAIFDE-UHFFFAOYSA-N 315.414 -0.532 30 20 DBED Cc1nc(C(=O)N(CCO)CCNC(=O)C#CC2CC2)co1 1057419690 IWWLIUWGPKAFDJ-UHFFFAOYSA-N 305.334 -0.053 30 20 DBED C#CCO[C@H](C)C(=O)N(CCO)CCNC(=O)COCC=C 1057583201 JSRYMRWZNLAMRV-CYBMUJFWSA-N 312.366 -0.836 30 20 DBED C=C(C)CCC(=O)N(CCO)CCNC(=O)c1cn(C)nn1 1057804699 QSTUCKHRQMMWAZ-UHFFFAOYSA-N 309.370 -0.278 30 20 DBED COC(=O)NCC(=O)NCC[C@H]1CCN(C(=O)[C@H](C)C#N)C1 1060288970 HRBVLFNLXWFNPR-MNOVXSKESA-N 310.354 -0.143 30 20 DBED N#Cc1ccc(NC[C@@H]2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)nn1 1060991737 JZMALRXYEBEGEZ-WCQGTBRESA-N 314.349 -0.270 30 20 DBED CSCC(=O)N1CCOC[C@H]1CNC(=O)CSCC#N 1061317317 FDVLTYLSCOINGT-SNVBAGLBSA-N 317.436 -0.050 30 20 DBED C=CCCC(=O)N1CCOC[C@@H]1CNC(=O)c1nccnc1N 1061433138 FDTSFRVOOWWIMO-NSHDSACASA-N 319.365 -0.018 30 20 DBED C=CCCC(=O)N1CCOC[C@H]1CNC(=O)[C@@H]1CCN(C)C1=O 1061783796 ANOHADMTRTXBID-OLZOCXBDSA-N 323.393 -0.226 30 20 DBED CCNC(=O)CC(=O)N1CCOC[C@H]1CNC(=O)[C@@H](C)C#N 1061845990 AFNYZXNCZGMLQZ-WDEREUQCSA-N 310.354 -0.984 30 20 DBED C=CCCC(=O)N1CCOC[C@H]1CNC(=O)[C@@H](COC)OC 1061877877 ZCPICHQUMJIKJO-CHWSQXEVSA-N 314.382 -0.042 30 20 DBED N#Cc1nccc(N2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2COCCO2)n1 1062449212 IOCZAYJTRVPFJK-SDDRHHMPSA-N 315.333 -0.447 30 20 DBED N#Cc1ccc(N2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2COC(=O)N2)nn1 1062481268 JFPGZWBYUKREHP-DCAQKATOSA-N 314.305 -0.754 30 20 DBED C#CCNC(=O)CC(=O)NCC1(NC(=O)COCCC)CCC1 1062829329 JBERPBFORWOXPW-UHFFFAOYSA-N 323.393 -0.292 30 20 DBED N#Cc1cncc(N2CCO[C@H](CNC(=O)[C@@H]3CCCO3)C2)n1 1063605677 QORFWOZTPCCFTM-OLZOCXBDSA-N 317.349 -0.151 30 20 DBED CN(C)CCC(=O)N1CCO[C@H](CNC(=O)C#CC2CC2)C1 1065572613 UQSCZGJCYOJGRJ-CQSZACIVSA-N 307.394 -0.305 30 20 DBED CN(C(=O)c1cnon1)[C@H]1CN(c2ccncc2C#N)C[C@@H]1O 1065599968 UQIIKWWRPBZOSU-STQMWFEESA-N 314.305 -0.342 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)CCCN(C)C(=O)[C@H]1C[C@H]1C(N)=O 1067430309 DALDMXKHDUJIGE-XQQFMLRXSA-N 323.393 -0.547 30 20 DBED N#Cc1cncc(N2C[C@@H](O)[C@@H](CNC(=O)c3cocn3)C2)n1 1067657311 ZTMXDDGDHQOCOX-JOYOIKCWSA-N 314.305 -0.437 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CC[C@H]1CN2c1nccn2nnnc12 1068032845 BYXXNIWCADTLEO-MXWKQRLJSA-N 312.337 -0.141 30 20 DBED C[C@H]1[C@H](N=c2cc[nH]c(C#N)n2)CCN1C(=O)c1cnn(C)n1 1068871344 QVSJTLWVGPVIHO-VHSXEESVSA-N 312.337 -0.386 30 20 DBED C#CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H]2CCCN2C)C1 1069902830 QWROKHFCHJQVCD-ILXRZTDVSA-N 316.409 -0.263 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2cnn(CC)c2)C[C@@H]1n1ccnn1 1070161822 AZAXYAILZDRJJE-KGLIPLIRSA-N 313.365 -0.217 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CCCN(C(=O)[C@H]2CCC(=O)N2)C1 1070551350 MOTNJNCFIHLPHY-JHJVBQTASA-N 321.377 -0.590 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)[C@]4(C)CNC(=O)C4)C[C@@]3(C1)O2 1070828196 KTVTVIHJRDGTCY-UTJXIGIESA-N 317.389 -0.553 30 20 DBED C=CCN1C[C@H]2C[C@H]3CN(C(=O)[C@@H]4CCNC4=O)C[C@@]3(C1)O2 1070836460 XNXZCSXWHIDCPB-VPWBDBDCSA-N 305.378 -0.390 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)c2ccnnc2)CC1 1071003211 YSYMKRALIMKOFI-UHFFFAOYSA-N 301.350 -0.626 30 20 DBED CC(C)[C@@H](O)C(=O)N1CCC[C@H](N2CCN(CC#N)CC2=O)C1 1071264251 RNFGQWIRLRRVGX-DZGCQCFKSA-N 322.409 -0.338 30 20 DBED C#CCN1C[C@H](NC(=O)CN2CCN(C)C(=O)C2)CC[C@H]1C 1071621682 BMNSGGYSOJBHGP-ZIAGYGMSSA-N 306.410 -0.637 30 20 DBED CCC(=O)NCC(=O)N1C[C@@H](NC(=O)C#CC2CC2)[C@H](C)C1 1071814328 GYIAIGYSJWCDOS-DGCLKSJQSA-N 305.378 -0.111 30 20 DBED C#CCN1C[C@@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)CC[C@H]1C 1072045215 PRACMUFEPFOJNR-NEPJUHHUSA-N 320.393 -0.081 30 20 DBED C=CCCOCC(=O)N[C@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1C 1072529662 BAVZWDVVRWTGOE-MNOVXSKESA-N 322.369 -0.621 30 20 DBED C#CCN1CCC2(C1)CN(C(=O)CN1C(=O)CC(C)(C)C1=O)C2 1072738552 ZNDYPQUXNPJPGL-UHFFFAOYSA-N 317.389 -0.061 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](NC(=O)CNC(N)=O)C(C)(C)C1 1073306382 JKOUGAQLKMUKCE-NXEZZACHSA-N 309.370 -0.442 30 20 DBED C#CCCCC(=O)N1CCN(C2CN(C(=O)COC)C2)CC1 1073564900 QIAZWBJYUYUMAK-UHFFFAOYSA-N 307.394 -0.209 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)[C@@H]2CCN(C)C(=O)C2)C1 1073664309 CWWJKCIJWFQZQG-ZIAGYGMSSA-N 307.394 -0.305 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)[C@@H]2CCS(=O)(=O)C2)C1 1073684691 XZAQERYAGRQNLO-CHWSQXEVSA-N 314.407 -0.739 30 20 DBED C=CCN1CCO[C@@H]2CCN(C(=O)C3CN(C(C)=O)C3)C[C@@H]21 1074226242 MIWITHAXTVJRAE-LSDHHAIUSA-N 307.394 -0.048 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)Cc3nnc(C)o3)C[C@H]21 1074232800 GBOXCLSGLSVGMM-OLZOCXBDSA-N 304.350 -0.145 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(O)(CNC(=O)c2cnccn2)CC1 1074703560 JJMNSKNOBJCJBU-NSHDSACASA-N 317.349 -0.280 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CCN(C(=O)Cn2ncnn2)[C@H](C)C1 1074977113 JQGGVCAOIIGUER-CHWSQXEVSA-N 318.381 -0.172 30 20 DBED C[C@@H](CCNC(=O)CSCC#N)NC(=O)[C@H]1COCCO1 1075675526 BGMOTBGTOYCYQA-WDEREUQCSA-N 315.395 -0.330 30 20 DBED CC(C)(C)N1C[C@H](C(=O)N[C@@H]2CN(CC#N)C[C@H]2O)CC1=O 1077089193 WUVMQOJWBDXFIT-IJLUTSLNSA-N 308.382 -0.682 30 20 DBED C=CCOCC(=O)N(C)[C@@H]1CCCN(C(=O)CC(N)=O)CC1 1078882720 QFGBKZJPNGZIQA-GFCCVEGCSA-N 311.382 -0.096 30 20 DBED C=CCCC(=O)N1CC(N(CC)C(=O)CN2CC(=O)NC2=O)C1 1080248417 TZGJIWYZOBDUNM-UHFFFAOYSA-N 322.365 -0.436 30 20 DBED C=CCN1C[C@@H](NC(=O)[C@@H]2CCN(C)S2(=O)=O)[C@H](C)C1 1080595860 QPIQIMGJUCZVTR-UTUOFQBUSA-N 301.412 -0.357 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)Cc2cnc[nH]2)C[C@H]1O 1081338881 XVNZLHIDWYRTKH-WCQYABFASA-N 306.366 -0.146 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)c2[nH]nnc2C)C[C@@H]1O 1081440018 XFIZRNGLTQHIMR-RYUDHWBXSA-N 319.365 -0.534 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(C(=O)c2ccncn2)C[C@@H]1O 1081472557 ZJIOCQRLQFLZTL-OCCSQVGLSA-N 314.345 -0.561 30 20 DBED Cn1cnc(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C#CC3CC3)C2)c1 1081472579 ZQJMFQIYVLXHDT-GXTWGEPZSA-N 316.361 -0.617 30 20 DBED C=C(C)CCC(=O)NC[C@H]1CN(C(=O)c2cnon2)C[C@H]1O 1081530779 KFCWLROYPVXHMQ-CMPLNLGQSA-N 308.338 -0.025 30 20 DBED C=CCCCC(=O)NC[C@@H]1CN(C(=O)c2cnon2)C[C@@H]1O 1081704847 JDPJBYKZHVASQM-PWSUYJOCSA-N 308.338 -0.025 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)c2cn(C)ccc2=O)C1 1083629675 GQDKKSQKKFTAET-YPMHNXCESA-N 311.769 -0.087 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](NC(=O)Cn2nc(C)n(C)c2=O)C1 1084011984 BWFCLRNVNZAPEZ-OLZOCXBDSA-N 323.397 -0.982 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)CN3C(=O)CC(C)(C)C3=O)[C@@H]2C1 1084343854 AHYWXHAHFTZGJV-CHWSQXEVSA-N 317.389 -0.063 30 20 DBED C#Cc1ccc(C(=O)N2C[C@H]3CCN(CC(N)=O)C[C@H]3C2)cn1 1088175408 VAKIQLYMJUZOIL-KGLIPLIRSA-N 312.373 -0.058 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2cc(OC)ncn2)[C@@H](O)C1 1090274979 XMAQIAPSGSNABX-YPMHNXCESA-N 304.350 -0.327 30 20 DBED C#CCN1CC[C@H](NC(=O)c2ccc3c(n2)OCCO3)[C@H](O)C1 1090393132 GILSLWQDZCXNOV-WCQYABFASA-N 317.345 -0.349 30 20 DBED N#CCN1CC[C@H](NC(=O)c2ccnc3[nH]nnc23)[C@@H](O)C1 1090421734 ZGLCPZBNWXBGKV-UWVGGRQHSA-N 301.310 -0.959 30 20 DBED Cc1cc(=N[C@@H]2CN(C(=O)CNC(N)=O)C[C@H]2C)c(C#N)c[nH]1 1090954788 AUTDYTHNKAWKNS-NOZJJQNGSA-N 316.365 -0.389 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CCN(c2ncccn2)[C@@H]1C 1091958356 ZWUBTJAQXVJIFC-NEPJUHHUSA-N 301.350 -0.301 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CCN(c2ccncc2C#N)C[C@@H]1O 1092148172 NWNJNRJGCNVXQS-YPMHNXCESA-N 317.349 -0.855 30 20 DBED C#CCNC(=O)CC(=O)N1CCN(c2nccc(OC)n2)CC1 1093148359 FXXNKVGGWPSBKO-UHFFFAOYSA-N 317.349 -0.727 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H]1[C@@H]2CN(c3cncc(C#N)n3)C[C@@H]21 1093312475 YBVHVIUMRXWCRQ-PBOSXPJTSA-N 311.345 -0.063 30 20 DBED C[C@H](CS(C)(=O)=O)C(=O)NCCNc1nccnc1C#N 1093681148 RVYQNRWAPZRDIS-SECBINFHSA-N 311.367 -0.443 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCNc1nccn2nnnc12 1094214898 RFVMKGOEAHFPIP-NSHDSACASA-N 314.353 -0.855 30 20 DBED N#CCSCC(=O)NCCCNc1nccn2nnnc12 1094311596 IUKZLBBPROKCKL-UHFFFAOYSA-N 306.355 -0.306 30 20 DBED C[C@]1(C(=O)NCCCN=c2cc[nH]cc2C#N)CNC(=O)C1 1094670785 MWQZJQJLKWFVFQ-OAHLLOKOSA-N 301.350 -0.180 30 20 DBED C#CCCN1CC(N2C[C@H](NC(=O)[C@@]3(C)CCOC3)CC2=O)C1 1094800849 DLTAMKZLGWVLQU-DYVFJYSZSA-N 319.405 -0.162 30 20 DBED COC(=O)NCC(=O)N1CCCN(c2ccc(C#N)nn2)CC1 1095167230 BJEWDPVZNRLSEA-UHFFFAOYSA-N 318.337 -0.257 30 20 DBED CN(CCCNC(=O)[C@]1(C)CNC(=O)C1)c1ccc(C#N)nn1 1095682013 RUUMKPFYFDLAFJ-HNNXBMFYSA-N 316.365 -0.183 30 20 DBED CN(CCCNC(=O)c1nnn(C)n1)c1ncccc1C#N 1095698431 WTCKXKGFILTYOA-UHFFFAOYSA-N 300.326 -0.267 30 20 DBED CNC(=O)NCC(=O)NCCCN(C)c1ncccc1C#N 1095763063 UTGYBLYLQQQFAV-UHFFFAOYSA-N 304.354 -0.175 30 20 DBED CCN(CCCNC(=O)CCNC(N)=O)c1cncc(C#N)n1 1095881894 UZOBLDDBLBUXDU-UHFFFAOYSA-N 319.369 -0.261 30 20 DBED CCN(CCCNC(=O)[C@H]1CCNC1=O)c1cnc(C#N)cn1 1095942615 JZJAEUQVJIOODQ-GFCCVEGCSA-N 316.365 -0.183 30 20 DBED C[C@H](C#N)C(=O)NCCN1CCN(c2cnc(C#N)cn2)CC1 1096278191 NQBOMSZWGJXVQF-GFCCVEGCSA-N 313.365 -0.254 30 20 DBED N#Cc1nc(=N[C@@H](CNC(=O)c2nccnc2N)C2CC2)cc[nH]1 1096606236 JJBKBPCFQAWFEX-JTQLQIEISA-N 324.348 -0.237 30 20 DBED C[C@H](NC(=O)CC(N)=O)[C@H]1CCCN(c2ccc(C#N)nn2)C1 1097519010 OWDLZMXJMVJEPZ-QWRGUYRKSA-N 316.365 -0.055 30 20 DBED C[C@@H](CNC(=O)CN1CC(=O)NC1=O)Nc1ncccc1C#N 1098008559 QZGNQMHJFIDQDY-VIFPVBQESA-N 316.321 -0.578 30 20 DBED C[C@@H](CNC(=O)COC[C@H]1CCOC1)N=c1cc[nH]c(C#N)n1 1098045031 ULKOIKWNFOTJPK-RYUDHWBXSA-N 319.365 -0.260 30 20 DBED C#CCNCc1cn([C@@H]2CCN(C(=O)[C@H]3CCCN3C)C2)nn1 1098645640 RZRFSSOJBRCJLZ-HUUCEWRRSA-N 316.409 -0.132 30 20 DBED C[C@@H](CCNC(=O)[C@@H]1COC(=O)N1)Nc1ccc(C#N)nn1 1099078314 WGPKIRQPJKQLCD-WPRPVWTQSA-N 304.310 -0.237 30 20 DBED C[C@H](CCNC(=O)[C@H]1CCCC(=O)N1)N=c1cc[nH]c(C#N)n1 1099582549 VMUSABTXRQYJKT-GHMZBOCLSA-N 316.365 -0.254 30 20 DBED C#CCCCC(=O)N[C@H]1CCN(CC(=O)NCC2CC2)C[C@@H]1O 1099806807 GRGGCSYHCSFKRB-GJZGRUSLSA-N 321.421 -0.133 30 20 DBED Cn1cc(CN2CC[C@@H](NC(=O)C#CC(C)(C)C)[C@H](O)C2)nn1 1099829779 IINJZJVSGVXJPQ-ZIAGYGMSSA-N 319.409 -0.084 30 20 DBED N#CCN1CC[C@H](NC(=O)CC(=O)NCC(F)(F)F)[C@@H](O)C1 1100056546 WGHIMYFUJRSKGQ-IUCAKERBSA-N 322.287 -0.870 30 20 DBED CCS(=O)(=O)CC(=O)NCCN(C)c1ccncc1C#N 1100148395 SOWDELWREJXTSZ-UHFFFAOYSA-N 310.379 -0.060 30 20 DBED CN(CCNC(=O)[C@]1(C)CCNC1=O)c1nccnc1C#N 1100325855 ZTBLHNQTVRZSDQ-CQSZACIVSA-N 302.338 -0.573 30 20 DBED CN1CCCC[C@H]1C(=O)NCC1CC(NCC(=O)NCC#N)C1 1100447200 SEBVZFCLAWXZKR-RUXDESIVSA-N 321.425 -0.405 30 20 DBED CN(C(=O)CCNC(N)=O)[C@@H]1CCN(c2cncc(C#N)n2)C1 1102709735 LOHIPIQAFPQXKT-LLVKDONJSA-N 317.353 -0.556 30 20 DBED CC[C@@H](CNC(=O)[C@H]1CNC(=O)N1)Nc1ncccc1C#N 1103277494 JQLPKIXLNRPHSQ-WDEREUQCSA-N 302.338 -0.059 30 20 DBED CC(=O)N1CC(C(=O)NC[C@@H](C)CNc2ccc(C#N)nn2)C1 1103942263 YJVNBWWTEOKCFM-JTQLQIEISA-N 316.365 -0.009 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)C[C@H]1COC(=O)C1 1103947067 KDXOQMONHCGTSX-GHMZBOCLSA-N 317.349 -0.112 30 20 DBED COCC#CCNCC[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)C[C@H]1C 1104926997 NVAKIZZPCWHHKP-KFWWJZLASA-N 321.421 -0.011 30 20 DBED C=CCNCc1cn(C2CN(C(=O)CCn3cncn3)C2)nn1 1105162381 MSRSHMSPLJMNEZ-UHFFFAOYSA-N 316.369 -0.381 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)c2ccc(C#N)[nH]2)nn1 1105789804 ZIBSJKVQCNPWKW-NSHDSACASA-N 311.305 -0.249 30 20 DBED Cc1ccc(C#N)c(NC[C@@H](O)CNC(=O)[C@H](C)NC(N)=O)n1 1105809397 BSJXPOOBPRVEKC-GXSJLCMTSA-N 320.353 -0.793 30 20 DBED CCn1cnc(C(=O)NC[C@@H](O)CNc2cnc(C#N)cn2)c1 1105916920 WUESTKHVENPHAF-NSHDSACASA-N 315.337 -0.233 30 20 DBED CC(=O)N[C@H](C)C(=O)NC/C=C/CN=c1cc[nH]cc1C#N 1107020640 GVLRFHRZARZVRF-PGLGOXFNSA-N 301.350 -0.016 30 20 DBED C=CCCN1CC(n2cc(CNC(=O)CC(=O)NCC)nn2)C1 1107162760 ROXXZIZBXHCADV-UHFFFAOYSA-N 320.397 -0.147 30 20 DBED C=CCN1CCO[C@](C)(CNC(=O)CC2CS(=O)(=O)C2)C1 1108038320 QSKADNNWWFAXFN-CQSZACIVSA-N 316.423 -0.186 30 20 DBED C#CCNC(=O)CN1CCO[C@](C)(CNC(=O)[C@H](F)CC)C1 1108124877 UIWGSBQFODRZAU-IUODEOHRSA-N 313.373 -0.309 30 20 DBED C[C@@]1(CNC(=O)CCCF)CN(CC(=O)NCC#N)CCO1 1108125193 ZPMZYORMUIQGGZ-CQSZACIVSA-N 314.361 -0.417 30 20 DBED C#CCNC(=O)CN1CCO[C@](C)(CNC(=O)[C@@H]2C[C@H]2CC)C1 1108227531 CDPGLNFVVVWPBE-CKEIUWERSA-N 321.421 -0.011 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)CN(C)C(=O)C1CC1 1108745766 OUSRWTPUNSCRPJ-JTQLQIEISA-N 316.365 -0.445 30 20 DBED CN(CCCNc1ccc(C#N)nn1)C(=O)[C@H]1COC(=O)N1 1109424417 DJFZRAHPAKGIBU-SNVBAGLBSA-N 304.310 -0.283 30 20 DBED CCNC(=O)CC(=O)N[C@H]1[C@H]2C[C@H]1N(c1cncc(C#N)n1)C2 1109704223 OPPMPWHZVYIIFC-ISOBSLSZSA-N 314.349 -0.432 30 20 DBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cn1cncn1 1110073353 SRSQVONDNBQNQQ-AGIUHOORSA-N 318.381 -0.698 30 20 DBED C=CCOCCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCNC(N)=O 1110079860 YQUSHBFMZRJIHY-AGIUHOORSA-N 310.398 -0.031 30 20 DBED N#Cc1cnc(NC2(CNC(=O)[C@@H]3COC(=O)N3)CC2)cn1 1110121666 IZIUXSWHEQTFMD-VIFPVBQESA-N 302.294 -0.483 30 20 DBED CN1CC[C@@H](C(=O)N(CCO)CCNc2ccc(C#N)nn2)C1 1111475599 XASQWUNTMJGCBQ-GFCCVEGCSA-N 318.381 -0.467 30 20 DBED CNC(=O)CC(=O)NC[C@@H]1COCCN1c1ncccc1C#N 1111675423 KRKZPXYBOZZOPU-GFCCVEGCSA-N 317.349 -0.589 30 20 DBED COCC#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2COC(=O)N2)C1 1111730613 UPKURXJTWSSWJX-ZENOOKHLSA-N 321.377 -0.285 30 20 DBED N#Cc1cnc(NC2(CNC(=O)[C@H]3CCNC3=O)CCC2)cn1 1111880904 VYPVQFBXEPZEEX-NSHDSACASA-N 314.349 -0.065 30 20 DBED N#Cc1cncc(N2Cc3ccc(CNC(=O)C(N)=O)cc3C2)n1 1112275855 AWOSDTSAHZAGBL-UHFFFAOYSA-N 322.328 -0.030 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCN(CCN2CCNC2=O)CC1 1112814131 HMKFJXZBTLZRMO-OAHLLOKOSA-N 310.398 -0.517 30 20 DBED CC[C@@H]1CC[C@@H](C(=O)N2CCN(CC(=O)NCC#N)CC2)O1 1112902146 HQOOIIMKAAPYNA-OLZOCXBDSA-N 308.382 -0.272 30 20 DBED COCCOCC(=O)N[C@@H](C)[C@@H](C)N=c1cc[nH]c(C#N)n1 1112934525 ZSMSQZOKMYOHMS-MNOVXSKESA-N 307.354 -0.262 30 20 DBED CNC(=O)NCCC(=O)N[C@H](C)[C@H](C)Nc1cnc(C#N)cn1 1113000599 DIVFPZBSTPFOFH-VHSXEESVSA-N 319.369 -0.028 30 20 DBED C[C@@H](N=c1cc[nH]c(C#N)n1)[C@@H](C)NC(=O)CCCC(N)=O 1113077625 QGRJCPHAECYJSJ-NXEZZACHSA-N 304.354 -0.269 30 20 DBED Cc1cc(C#N)nc(N[C@H](C)[C@H](C)NC(=O)c2nnn(C)n2)n1 1113259372 SLNSOOPWEWVVME-DTWKUNHWSA-N 315.341 -0.201 30 20 DBED C=CCOCCN1C[C@H]2[C@H](NC(=O)[C@@H]3CCNC(=O)C3)[C@H]2C1 1114137252 UPPIJDQSBRAEON-CXTNEJHOSA-N 307.394 -0.238 30 20 DBED C[C@H](c1nnnn1C)N1C[C@H]2C(NC(=O)C#CC3CC3)[C@@H]2C1 1114253847 VULLFXORDFKBEQ-YUSALJHKSA-N 300.366 -0.269 30 20 DBED C=CCCCN1C[C@@H]2C(NC(=O)CN3CCN(C)C(=O)C3)[C@H]2C1 1114496592 PFWFUAKHJOTGSJ-KBPBESRZSA-N 320.437 -0.227 30 20 DBED N#Cc1ccc(N2C[C@@H]3C(CNC(=O)Cn4cnnn4)[C@H]3C2)cn1 1114509349 XHNNZYSZHPJLOX-ZIAGYGMSSA-N 324.348 -0.562 30 20 DBED C[C@@H]1C[C@@H](CN=c2cc[nH]cc2C#N)CN1C(=O)CNC(N)=O 1114663209 GSMZEANMBPYSDF-MNOVXSKESA-N 316.365 -0.308 30 20 DBED COCC#CCN1C[C@@H]2C(NC(=O)c3cnc(O)n3C)[C@H]2C1 1114665716 MZCOEPKININOPE-QWRGUYRKSA-N 304.350 -0.565 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)c3conc3C)[C@@H]2C1 1114761619 MKIKCMPZJKZCRV-GHMZBOCLSA-N 304.350 -0.055 30 20 DBED C#CCCN1C[C@@H]2C(NC(=O)CN(C)S(=O)(=O)CC)[C@H]2C1 1115050096 QBCUQJHMBPUVQD-RYUDHWBXSA-N 313.423 -0.662 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)Cn3ccccc3=O)[C@@H]2C1 1115219143 RINIRWVQGWXRMJ-ZIAGYGMSSA-N 315.373 -0.456 30 20 DBED C#CCC[C@H](O)CNC(=O)C(=O)Nc1ccn(CCCOC)n1 1116908341 OLPMXSMEMWVUMY-LBPRGKRZSA-N 322.365 -0.251 30 20 DBED N#Cc1ccsc1NC(=O)C(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1 1117748530 CWQBAOHWEZTNHN-IUCAKERBSA-N 322.346 -0.293 30 20 DBED CCO[C@@H]1CCC[C@H]1NC(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1118225895 OTEQYYOZLOMQFK-JMSVASOKSA-N 309.366 -0.063 30 20 DBED CCONC(=O)CNC(=O)C(=O)Nc1cccc(OCC#N)c1 1118246273 PFBKCCBSFJUHKA-UHFFFAOYSA-N 320.305 -0.289 30 20 DBED C#CC1CCN(c2nnnn2C[C@@H]2CC[C@H](C(N)=O)O2)CC1 1120285830 REFCFZKPWCNWPQ-NWDGAFQWSA-N 304.354 -0.444 30 20 DBED Cc1cc(C(=O)NC[C@@H](CO)Nc2cncc(C#N)n2)ncn1 1121310873 MCJMNWSLLYOJHQ-NSHDSACASA-N 313.321 -0.351 30 20 DBED C[C@@](O)(CC(=O)NC[C@@H](CO)Nc1ccc(C#N)nn1)C1CC1 1121338702 AZZKKMXXYNCMBI-SWLSCSKDSA-N 319.365 -0.212 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@H](CO)Nc1nccc(OC)n1 1121404462 GKNFHQPYEJQGKE-HZMBPMFUSA-N 310.354 -0.299 30 20 DBED CO[C@H](C(=O)NC[C@H](CO)Nc1cncc(C#N)n1)C(C)C 1122444968 LTCCLSXUCGGPBF-YPMHNXCESA-N 307.354 -0.092 30 20 DBED Cc1c[nH]nc1C(=O)N(C)C[C@H](O)CN=c1cc[nH]c(C#N)n1 1124283105 FVHGHSVMXKHBNZ-SNVBAGLBSA-N 315.337 -0.653 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](O)CN(C)C(=O)CCN(C)C)n1 1124710103 XBXQAXLIAZYTKZ-CYBMUJFWSA-N 320.397 -0.160 30 20 DBED COCCC(=O)N(C)C[C@H](O)CN(C)c1nccnc1C#N 1124904509 ZQDUMKQKTYKGSF-NSHDSACASA-N 307.354 -0.360 30 20 DBED CN(C[C@@H](O)CN(C)c1ccc(C#N)nn1)C(=O)[C@H]1CCCO1 1124940480 SICBZTPAUCICFV-QWHCGFSZSA-N 319.365 -0.217 30 20 DBED C[C@@H](CC(N)=O)C(=O)N(C)C1CC(N=c2cc[nH]c(C#N)n2)C1 1127058589 SUVZCBOXOLYIDD-WHXUTIOJSA-N 316.365 -0.317 30 20 DBED C=C(Cl)CNCCNC(=O)CCCn1c(O)nnc1O 1130556714 UMOMIMMKYOXZFR-UHFFFAOYSA-N 303.750 -0.072 30 20 DBED C#CCCN1CCNC(=O)CCN(C(=O)CNC(=O)OC)CC1 1131334022 JLDSVMXMPBTHOQ-UHFFFAOYSA-N 324.381 -0.984 30 20 DBED C=CC(C)(C)C(=O)NCCNCc1nc(CC(=O)NC)no1 1132395506 DFGGPKYXMVWLOF-UHFFFAOYSA-N 309.370 -0.224 30 20 DBED C#CCNC[C@H]1CN(C(=O)CN2CCNC(=O)C2)CC[C@@H]1C 1133031687 RPUOOCZKAFQBTA-KBPBESRZSA-N 306.410 -0.874 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)[C@H]1CC(=O)N(CCC)C1 1134502768 GLLQHIZVDXIKFD-STQMWFEESA-N 324.425 -0.359 30 20 DBED C=CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)CNC(=O)NC 1134524998 URYVSCMTKFDJAQ-MNOVXSKESA-N 313.402 -0.910 30 20 DBED CC#CCN[C@@H](C)C[C@@H](C)NC(=O)Cn1ccc(=O)n(C)c1=O 1134541571 TWBMGXIHVMBOGZ-QWHCGFSZSA-N 320.393 -0.557 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)C(C)(C)S(C)(=O)=O 1134670004 PZXCZTJACTVGPN-SNVBAGLBSA-N 319.427 -0.794 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)c1cn[nH]c1)C2 1147035169 UEBQSLTVZFGOJB-UHFFFAOYSA-N 301.350 -0.693 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H](CC(C)C)NC(C)=O 1148488789 NLBCJIHBNLPQPX-TZMCWYRMSA-N 324.425 -0.619 30 20 DBED C=CCNC(=O)CN1CCC2(C1)CN(C(=O)CN1CCCC1)C2 1148754512 AMEOMJYVXHAPKH-UHFFFAOYSA-N 320.437 -0.081 30 20 DBED CC(C)N(C)CC(=O)N1CC2(CCN(CC(=O)NCC#N)C2)C1 1148839552 QUYGUOMWZWCOSR-UHFFFAOYSA-N 321.425 -0.499 30 20 DBED CC(=O)NCCCCCC(=O)NCCNCC(=O)NCC#N 1150076492 OHGGPZMIFZGZLC-UHFFFAOYSA-N 311.386 -0.972 30 20 DBED C=CCO[C@H](C)C(=O)NC[C@@H]1CN(CC(=O)NC)CCCO1 1150810737 HTHJROCBTWXUNN-CHWSQXEVSA-N 313.398 -0.469 30 20 DBED C=CCNC(=O)CNCCNC(=O)CCn1cc(Cl)cn1 1152177063 FBNFZNNEQUNTJK-UHFFFAOYSA-N 313.789 -0.065 30 20 DBED CCc1nc(CC(=O)NCCNCC(=O)NCC#N)cs1 1152297814 VEUNYFIDIWPLQM-UHFFFAOYSA-N 309.395 -0.406 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)c1cnn(C)c1N 1156973358 MYKVRRUXXZTOBC-SNVBAGLBSA-N 308.386 -0.598 30 20 DBED C=CCN(CC=C)C(=O)CNCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1157775234 LSMMNLPOPLFXIN-CHWSQXEVSA-N 324.381 -0.052 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)[C@@H]1CCN(C)[C@@H]1C 1158380095 MFENCUCVYXAPKF-MGPQQGTHSA-N 308.426 -0.440 30 20 DBED C=CCNC(=O)CNCCCNC(=O)C[C@H]1CCC(=O)NC1 1159761973 ISRVZFJTFUCEBF-GFCCVEGCSA-N 310.398 -0.699 30 20 DBED C#CCN1CCC(CNC(=O)c2ncn(C)n2)(COC)CC1 1162247118 VSSAYJKKYYEIOX-UHFFFAOYSA-N 305.382 -0.093 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@H](NCc2nncn2C)[C@@H]1C 1178678431 JRZNYLNLDIHJGE-AVGNSLFASA-N 305.382 -0.068 30 20 DBED COCC#CCN(C)[C@H]1CCN(C(=O)CNC(=O)C2CC2)C1 1189085911 NHWRAKFYDUHFTJ-AWEZNQCLSA-N 307.394 -0.305 30 20 DBED CC1CCN(C(=O)CN2C[C@@H](O)[C@H](NC(=O)[C@@H](C)C#N)C2)CC1 1191853569 FXQCMCCBDGTJKF-BFHYXJOUSA-N 322.409 -0.434 30 20 DBED Cc1nc([C@H](C)N2C[C@@H](O)[C@H](NC(=O)C#CC(C)C)C2)n[nH]1 1192762310 VYZHQUASZAWUMD-CYZMBNFOSA-N 305.382 -0.005 30 20 DBED CN1CC[C@@H](N2C[C@@H](O)[C@H](NC(=O)C#CC(C)(C)C)C2)C1=O 1192814132 WUZAOMXWIOKMGK-JHJVBQTASA-N 307.394 -0.572 30 20 DBED N#CCNC(=O)CNC[C@@H]1CN(C(=O)c2ccc[nH]2)CCCO1 1199833956 ZFHZWFHGPGNJQE-GFCCVEGCSA-N 319.365 -0.525 30 20 DBED COCC#CCNC1CCN(C(=O)c2cnn(C)c2N)CC1 1200163554 HPIURHBDWWDEDV-UHFFFAOYSA-N 305.382 -0.154 30 20 DBED C[C@H](NC[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)CCCO1)C(N)=O 1200299325 JWGZUSKJEQSJOK-GWCFXTLKSA-N 319.365 -0.419 30 20 DBED C#CCCCC(=O)N1CCCO[C@@H](CN[C@@H]2CCNC2=O)C1 1200403792 AEYARBQMXJJXDG-UONOGXRCSA-N 307.394 -0.115 30 20 DBED COCC#CCN[C@H]1C[C@@H](NC(=O)CNC(C)=O)C12CCC2 1202351087 BPLVLKSUNKYERY-UONOGXRCSA-N 307.394 -0.211 30 20 DBED CCOCC(=O)N1C[C@H]2CC[C@H]1[C@H](NCC(=O)NCC#N)C2 1203926010 MTHFENHVMBHALV-XQQFMLRXSA-N 308.382 -0.368 30 20 DBED C#CCNCC1CCN(C(=O)[C@H](C)NS(=O)(=O)CC)CC1 1205362364 SQSXKMBGCBZCET-LBPRGKRZSA-N 315.439 -0.224 30 20 DBED C#CCNCC1CCN(C(=O)[C@@H]2CC(=O)N(CCOC)C2)CC1 1205413449 LICXRTMPVBZMBF-OAHLLOKOSA-N 321.421 -0.057 30 20 DBED C#CCCNCC1CCN(C(=O)CCNC(=O)COC)CC1 1205418493 OQFSPZOIFJMYEC-UHFFFAOYSA-N 309.410 -0.009 30 20 DBED C=C(C)CNCC1CCN(C(=O)CNC(=O)CNC(C)=O)CC1 1205543592 XOKIOSBWYIJUBL-UHFFFAOYSA-N 324.425 -0.357 30 20 DBED CC#CCNCC1CCN(C(=O)CN2CCN(C)C(=O)C2)CC1 1205582976 XRNQSKVYCUZHHA-UHFFFAOYSA-N 320.437 -0.388 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)Cc1cncnc1 1206911467 QTAARMJWEQXNPI-DGCLKSJQSA-N 316.365 -0.905 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)[C@H](C)C1 1208515544 SDJZHJJYWONFFV-IIAWOOMASA-N 322.453 -0.242 30 20 DBED C#CCN[C@H]1CCCN(C(=O)CNC(=O)C2CCOCC2)C1 1210198019 HDLCWOWXZLBUPH-AWEZNQCLSA-N 307.394 -0.257 30 20 DBED C#CCCN1C[C@@H](NC(=O)CCN2C(=O)CCC2=O)[C@H](OC)C1 1213141173 IWLPEWAVDUCUMM-CHWSQXEVSA-N 321.377 -0.636 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](N[C@@H](C)C(=O)NC(N)=O)[C@H](C)C1 1214578466 PNMHGUMBPYYHNW-GRYCIOLGSA-N 308.382 -0.334 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C[C@H]1C 1215602592 FFXGRNKKSKVTIK-RYPNDVFKSA-N 319.405 -0.260 30 20 DBED C=CCOCCN[C@@H]1CN(C(=O)C[C@@H]2CC(=O)NC2=O)C[C@H]1C 1217124002 RTOUZXHIVSSVRQ-FRRDWIJNSA-N 323.393 -0.322 30 20 DBED C[C@@H](C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@@H]1O)C1CCCC1 1220728498 OBGQREPVSBCJBX-BNOWGMLFSA-N 322.409 -0.386 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H]2CCN([C@@H](C)COC)C[C@H]21 1221496318 SQVIBWZVPXXKLW-BFHYXJOUSA-N 307.394 -0.307 30 20 DBED C#CCOCCC(=O)NCC1CCN(Cc2nnnn2C)CC1 1223175200 ZIZJYNCKJIJASK-UHFFFAOYSA-N 320.397 -0.422 30 20 DBED COCC#CCN1CCC(CNC(=O)[C@@H]2CCC(=O)N2)CC1 1225216499 ZCIXFIWOXPPSDF-AWEZNQCLSA-N 307.394 -0.257 30 20 DBED Cc1nonc1C(=O)NCC1CCN(CC(=O)NCC#N)CC1 1225652636 HUKHCGGDAIKMBO-UHFFFAOYSA-N 320.353 -0.540 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)C[C@@H]2CCNC2=O)CC1 1227775323 VBCGOBXKTWPXRE-LBPRGKRZSA-N 322.409 -0.605 30 20 DBED C#CCN1CCS(=O)(=O)[C@@H](CCNC(=O)c2n[nH]cc2C)C1 1230462801 SXPHWZXVPDUSQX-LBPRGKRZSA-N 324.406 -0.430 30 20 DBED C=C(C)COCCNC(=O)C(=O)N1CCOC[C@H]1C[C@@H](C)O 1256792101 NLLWZGKHONIBEO-CHWSQXEVSA-N 314.382 -0.306 30 20 DBED CCOC[C@@H]1CCN(C(=O)C(=O)NC2CCN(CC#N)CC2)C1 1324434292 NXHKQDCHWNWCCL-CYBMUJFWSA-N 322.409 -0.024 30 20 DBED C=CC[C@H](CC)NC(=O)C(=O)NCCCN1C(=O)CNC1=O 1324445701 CGUUGCPWHZTDMM-JTQLQIEISA-N 310.354 -0.485 30 20 DBED C=CC[C@H](CO)CNC(=O)C(=O)Nc1cnn(CCOC)c1 1324887821 PFVDTMWPISRGJB-NSHDSACASA-N 310.354 -0.231 30 20 DBED C#C[C@@H](NC(=O)C(=O)N1CCC(OC(C)=O)CC1)[C@@H]1CCCO1 1325474083 IZOHQXCPXDSVML-KGLIPLIRSA-N 322.361 -0.163 30 20 DBED C#CCOCCNC(=O)C(=O)NCc1ccc(N(C)C)nc1 1326792557 LTYVNMMKDQQCEI-UHFFFAOYSA-N 304.350 -0.470 30 20 DBED C=CCn1c(-c2cnccn2)nnc1S(=O)(=O)[C@H](C)C(N)=O 1327854095 URSABIPFKVLFIK-MRVPVSSYSA-N 322.350 -0.431 30 20 DBED CCCN(C(=O)C(=O)N1CC[C@@](O)(CC#N)C1)[C@H]1CCN(C)C1 1328445333 PSWQJABYKADYQD-BBRMVZONSA-N 322.409 -0.194 30 20 DBED N#CCC1(O)CN(C(=O)CNS(=O)(=O)c2ccccc2N)C1 1328667664 XYCKHBLATMZUES-UHFFFAOYSA-N 324.362 -0.966 30 20 DBED C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[C@](O)(CC#N)C1 1332247668 FOSQTUZRLYIFJW-PVXIVEMSSA-N 320.393 -0.538 30 20 DBED C=CCSCCNC(=O)C(=O)N[C@H]1CCS(=O)(=O)C1 1334822565 VMCSFDHKVQZOQE-VIFPVBQESA-N 306.409 -0.675 30 20 DBED C#CC1CCN(C(=O)C(=O)N2CCC(NC(N)=O)CC2)CC1 1345991304 SXEBCISPOARUMU-UHFFFAOYSA-N 306.366 -0.483 30 20 DBED N#C[C@@H](C(=O)Cc1ccco1)C(=O)N1CCS(=O)(=O)CC1 1346054412 OUZQSMCTDZKQDW-NSHDSACASA-N 310.331 -0.212 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)N[C@@H]2CCOC3(CCC3)C2)CCO1 1347083742 CIIPYDPRDSXFQO-NEPJUHHUSA-N 307.350 -0.045 30 20 DBED COCC#CC(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1 1350990212 IKMHUWSRLQNJME-GFCCVEGCSA-N 300.380 -0.337 30 20 DBED C#CCN1CCN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)CC1 1358472911 ADGCDCWNKFIUJN-LBPRGKRZSA-N 311.382 -0.351 30 20 DBED N#CC[C@]1(O)CCN(C(=O)c2ccnc3c(C(N)=O)cnn23)C1 1363520681 ILGCQGAHMKAXJN-AWEZNQCLSA-N 314.305 -0.681 30 20 DBED N#Cc1ccc(N2CC[C@H](N3C[C@@H](CO)[C@@H](O)C3)C2=O)cc1 1364725896 YMFBTKRBHXVKDO-QEJZJMRPSA-N 301.346 -0.051 30 20 DBED C=C(Cl)CNC1(CNC(=O)[C@@H]2CCS(=O)(=O)N2)CC1 1368033717 LWRNWMKTXOPIDT-VIFPVBQESA-N 307.803 -0.331 30 20 DBED CC(C)CCNC(=O)[C@@H](C)N1CC(O)(CNC(=O)[C@@H](C)C#N)C1 1368288595 LJVOVJVCPAGIJG-QWHCGFSZSA-N 324.425 -0.140 30 20 DBED C=C(Cl)CNC[C@@H](O)CNC(=O)c1ccc(C(N)=O)o1 1374623897 FMSHUDWYQPJKDV-MRVPVSSYSA-N 301.730 -0.189 30 20 DBED C[C@@H](CN(C)C(=O)c1cc(C#N)c[nH]1)NC(=O)c1cnn[nH]1 1395553345 KSQCYHZSYSYHQR-QMMMGPOBSA-N 301.310 -0.105 30 20 DBED CCN(C(=O)C1(NC(N)=O)CC1)[C@@H]1CCN(C(=O)[C@H](C)C#N)C1 1398887795 WFGFDKPPJCJLAA-GHMZBOCLSA-N 321.381 -0.204 30 20 DBED C=C(Cl)CN[C@H](C)CNC(=O)Cn1cnc(C(N)=O)n1 1402890244 MBLRBYLJPPCXON-MRVPVSSYSA-N 300.750 -0.776 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](C)CNC(=O)c1ccc(C(N)=O)cn1 1410276935 AHTDUSXXGAJDQE-DTWKUNHWSA-N 303.322 -0.425 30 20 DBED COc1cncc(C(=O)N2CC[C@H](NC(=O)[C@@H](C)C#N)C2)n1 1414932120 HAVJTMBPTDBTLL-UWVGGRQHSA-N 303.322 -0.024 30 20 DBED CC(=O)N(C)CC(=O)NC1(CNC(=O)c2cc(C#N)c[nH]2)CC1 1417120907 GCPFPDYNLALIBR-UHFFFAOYSA-N 317.349 -0.257 30 20 DBED CO[C@@H](C(=O)N1CC(NC(=O)[C@@H](C)C#N)C1)c1cnn(C)c1 1432337023 OAFCZCGMCQNTLC-JOYOIKCWSA-N 305.338 -0.406 30 20 DBED CC(=O)N[C@H](C)C(=O)N(C)CCN(C)C(=O)c1ccc(C#N)[nH]1 1433144206 QWAGXYQKYZXAMZ-SNVBAGLBSA-N 319.365 -0.059 30 20 DBED CCN(CCNC(=O)[C@H](C)C#N)C(=O)[C@@H](C)S(C)(=O)=O 1449509600 MXBXHUAGBJDGEG-NXEZZACHSA-N 303.384 -0.456 30 20 DBED CCC(=O)N1CC[C@@H](C(=O)N2CC(CNC(=O)[C@@H](C)C#N)C2)C1 1450715443 SJJULJZIIANIPI-WCQYABFASA-N 320.393 -0.021 30 20 DBED C[C@H](CNC(=O)CCn1ncn(C)c1=O)CNC(=O)[C@H](C)C#N 1451616087 XCGFJTANNQWGCB-GHMZBOCLSA-N 322.369 -1.000 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CN(C)C(=O)c1ccc(=O)n(C)c1 1451892776 RSORSWKNSLGFQH-ZYHUDNBSSA-N 320.349 -0.906 30 20 DBED C[C@@H]1CCCN(C(=O)Cn2cc(C#N)c(O)nc2=O)[C@H]1CCO 1469918565 VPATZRJOMBILPW-PWSUYJOCSA-N 320.349 -0.170 30 20 DBED COc1cccc(C(=O)N(C)C[C@@H](O)CNC(=O)[C@@H](C)C#N)n1 1488401858 OBHZXMFLRTWWLS-QWRGUYRKSA-N 320.349 -0.201 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CCN(c2nccnc2-c2nn[nH]n2)C1 1573577879 UTNMXPSHKAPEIA-DTWKUNHWSA-N 313.325 -0.489 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CCCc2cnn[nH]2)[C@@H](O)C1 1574883463 XLECXAXLUJPHKJ-KGLIPLIRSA-N 305.382 -0.298 30 20 DBED CC#CC[C@@H](N)C(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 1574963486 VKWAVNMXQFZCCY-QWHCGFSZSA-N 313.423 -0.942 30 20 DBED CC1(C)CNC[C@H]1C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1576473474 SUNFCWNDYIAUBJ-OKQWNRDOSA-N 306.366 -0.125 30 20 DBED C#CC[C@@H](NS(=O)(=O)c1cc(C(=O)OC)cn1C)C(=O)O 1588423575 LEBSOUDEYQAEQZ-SECBINFHSA-N 314.319 -0.434 30 20 DBED Cc1nn(C)cc1C1=NO[C@H](C(=O)N(CC#N)CC(=O)O)C1 1600778860 YMJOOTAUKIVANA-NSHDSACASA-N 305.294 -0.342 30 20 DBED N#CC1(C[C@H](O)CN2CCN(CC(=O)O)CC2)CCOCC1 1601054848 UCFLLSDSCPPSEE-ZDUSSCGKSA-N 311.382 -0.240 30 20 DBED C=CCN1CC[C@@H](n2nc(C)c(C)c(-c3nn[nH]n3)c2=O)C1=O 1602862597 KMUCNTHPNMTFSM-SNVBAGLBSA-N 315.337 0.000 30 20 DBED N#CCC(=O)N1CCN(C(=O)Cn2cc(C(=O)O)cn2)CC1 1608180469 ZYOYTZRTZRTOKV-UHFFFAOYSA-N 305.294 -0.834 30 20 DBED N#Cc1cn(CCNC(=O)c2cnn3ccccc23)c(=O)nc1O 1646148025 OVMFEAJCLVXLJJ-UHFFFAOYSA-N 324.300 -0.102 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)c2cnnc(O)c2)C1 1690666489 NMCXDEFDELICCK-PWSUYJOCSA-N 317.349 -0.876 30 20 DBED COCC#CCNC[C@H]1CCCN(C(=O)[C@@H](C)NC(C)=O)C1 1752791686 WVDXPHHMRLQOMR-UKRRQHHQSA-N 309.410 -0.011 30 20 DBED C#CCNCCNC(=O)[C@@H]1CCCN(C(=O)CCCN(C)C)C1 1752926285 NMDGFUZODFCRQA-OAHLLOKOSA-N 322.453 -0.094 30 20 DBED CN(CCNCC(=O)NCC#N)C(=O)c1cc(C2CC2)nn1C 1753193672 DKKLFOWMUUQJJR-UHFFFAOYSA-N 318.381 -0.401 30 20 DBED C=CCNC(=O)CNC[C@@H](C)CNC(=O)c1cccn(C)c1=O 1753636978 GBSZKQIORXJDCD-GFCCVEGCSA-N 320.393 -0.357 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@@H](C)NC(=O)c1c(C)nn(C)c1F 1754252938 QJVPQPXIMIBJBR-MWLCHTKSSA-N 323.372 -0.287 30 20 DBED C[C@@H](CNCC(=O)NCC#N)NC(=O)c1coc(C2CC2)n1 1754286641 SNMANDFVZACUNQ-VIFPVBQESA-N 305.338 -0.100 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCN(C)C(=O)[C@H]1CCC(=O)N1 1754363658 XAWBRSPNZGOZJX-VXGBXAGGSA-N 310.398 -0.606 30 20 DBED C#CCNC(=O)CNC1(CNC(=O)c2cncc(C)c2)CC1 1754511663 JGDNXTAPARCERF-UHFFFAOYSA-N 300.362 -0.009 30 20 DBED N#CCN1CCC[C@](CO)(NC(=O)[C@@H]2CCNC(=O)CC2)C1 1754855309 MWJYTDJTTRHZIJ-WFASDCNBSA-N 308.382 -0.631 30 20 DBED Cn1cc(CC(=O)NC[C@@H]2CCC3(CN(CC#N)C3)O2)cn1 1755053198 PTTCWRNCPBHRIG-ZDUSSCGKSA-N 303.366 -0.164 30 20 DBED COCC#CCNCC1(O)CCN(C(=O)Cc2ncc[nH]2)CC1 1755154930 OIMZPRZGFKFPKQ-UHFFFAOYSA-N 320.393 -0.455 30 20 DBED C#CCNC(=O)CNCC1CC(NC(=O)c2coc(OC)n2)C1 1755214964 BOOJELFVQAWZEL-UHFFFAOYSA-N 320.349 -0.469 30 20 DBED C=C(C)CCN1CC(CCO)(NC(=O)[C@@H](C)S(C)(=O)=O)C1 1755333152 YOKJPNVJJFIGQV-GFCCVEGCSA-N 318.439 -0.061 30 20 DBED C=CCO[C@H](C)C(=O)N[C@H](CO)CNC(=O)c1cscn1 1756519731 UFXAQVXEWNPWPV-ZJUUUORDSA-N 313.379 -0.059 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(C(=O)CCn2cccn2)C[C@H]1O 1756993471 CDGWUBIZEASJNA-ZIAGYGMSSA-N 318.377 -0.380 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)C[C@H]1C 1757093380 BZRGWWSJKQOFRS-GMTAPVOTSA-N 308.382 -0.157 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@H](NC(=O)C2(C(=O)NC)CC2)C1 1757191367 SPRAFSRBNYDHMR-NEPJUHHUSA-N 321.377 -0.996 30 20 DBED CC[C@H](C#N)C(=O)N[C@H](C)C(=O)N1CCS(=O)(=O)CC1 1771757855 GUUTXPDBXUSNFE-NXEZZACHSA-N 301.368 -0.702 30 20 DBED C[C@H](O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CC#N)C2 1781987809 UKTXANXYPGQJRT-YWPYICTPSA-N 309.366 -0.205 30 20 DBED C=CCC(=O)N1CC[C@@]2(C1)CN(C(=O)CNC(C)=O)CCO2 1783922437 WDDZLOZMDQYTRY-OAHLLOKOSA-N 309.366 -0.472 30 20 DBED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CSC(=N)N)[C@H]2C1 1786777939 JSJMHTZBJUGYFX-DCAQKATOSA-N 324.406 -0.774 30 20 DBED N#CC1(C(=O)N2CCCC23CN(C(=O)Cn2nccn2)C3)CC1 1842808668 QWLYGEWCSMAPCJ-UHFFFAOYSA-N 314.349 -0.215 30 20 DBED C[C@H](S)C(=O)N1CCCC12CN(C(=O)[C@@H]1C[C@H](O)CN1)C2 1846370145 YDNSGGOGYIZVDR-DCAQKATOSA-N 313.423 -0.769 30 20 DBED N#CC1(C(=O)N2CC3(CCCN3C(=O)CNC(N)=O)C2)CC1 1847104541 WZJBSWOCGXAOAF-UHFFFAOYSA-N 305.338 -0.838 30 20 DBED COc1ccccc1CN/C(N)=N/C[C@@H](O)CN1CCOCC1 170907651 UNCPDQMTFSYWSV-CQSZACIVSA-N 322.409 -0.207 30 20 DBED CCOC(=O)c1cnn(CC(=O)NCCC(=O)OC)c1C#N 273481722 MTOKBVKKRYAMJB-UHFFFAOYSA-N 308.294 -0.389 30 20 DBED C#CC[C@H](NS(=O)(=O)CC1(CC(=O)OC)CC1)C(=O)O 275050823 SIHMJNAZVOVVSU-VIFPVBQESA-N 303.336 -0.274 30 20 DBED CCn1cc(C#N)c(=O)n(C[C@H](O)CO[C@@H](C)COC)c1=O 278621164 KMIIPXUUFFBHTR-JQWIXIFHSA-N 311.338 -0.686 30 20 DBED C#C[C@@H](C)NC(=O)[C@](C)(O)CN1C(=O)NC2(CCCC2)C1=O 281690125 VGSIVAUFYDSQKE-QMTHXVAHSA-N 307.350 -0.260 30 20 DBED C#C[C@H](C)NC(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C 287050879 PGTVAMYGQVUXMY-QMMMGPOBSA-N 301.306 -0.225 30 20 DBED CC[C@@H](C)[C@@H](NC(=O)Cn1c(N)nc(C#N)c1C#N)C(=O)OC 298196923 AKUAROQSJUZOHT-PRHODGIISA-N 318.337 -0.087 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCCc2ccccn2)C1=O 299589231 WCOPNNMFOKMROE-UHFFFAOYSA-N 316.317 -0.283 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CCN2C(=O)CC[C@H]2C1 336887144 KNKOLABYYUULGE-NSHDSACASA-N 300.384 -0.227 30 20 DBED CCOC(=O)CN(C)S(=O)(=O)N(CCC#N)CCOC 336924089 SZXRZDRRSXFZHH-UHFFFAOYSA-N 307.372 -0.412 30 20 DBED C=CCOC[C@H](NS(=O)(=O)N(C)[C@H](C)CC#N)C(=O)OC 337787481 YFGDNWITSFCROZ-MNOVXSKESA-N 319.383 -0.201 30 20 DBED Cn1ccc(=O)n(CCCNC(=O)c2c[nH]c(C#N)c2)c1=O 339310656 NUTREZNRCBUKSJ-UHFFFAOYSA-N 301.306 -0.433 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H]1CS(=O)(=O)C[C@@H]1C 341969048 LJTLTADJNCUGLE-VWYCJHECSA-N 323.440 -0.265 30 20 DBED N#Cc1ncn(CCNc2ncc([N+](=O)[O-])cc2C(N)=O)n1 343550804 UFPVSPAUIWNZKN-UHFFFAOYSA-N 302.254 -0.336 30 20 DBED N#C[C@H]1COCCN1CC(=O)Nc1ccc(S(N)(=O)=O)cc1 348695628 BGFLXSDXVAFCIF-NSHDSACASA-N 324.362 -0.503 30 20 DBED CC[C@H](C)[C@@H](NC(=O)Cn1cncc(C#N)c1=O)C(=O)OC 351773773 MINRBEZUTCVIHD-JOYOIKCWSA-N 306.322 -0.181 30 20 DBED C=CCNC(=O)NC(=O)CN1C[C@H](C)S(=O)(=O)[C@@H](C)C1 352620485 DTFDLAPNYDKZPH-UWVGGRQHSA-N 303.384 -0.494 30 20 DBED N#Cc1cccc(S(=O)(=O)NCCn2cnc(C#N)n2)c1 352634939 DFFFBVUCJQAJDD-UHFFFAOYSA-N 302.319 0.000 30 20 DBED N#Cc1ccc([C@H](Sc2nc(=N)[nH]c(=N)[nH]2)C(N)=O)cc1 359693425 HHKCXNQSFKDFKV-QMMMGPOBSA-N 301.335 -0.113 30 20 DBED CS(=O)(=O)N1CC[C@@H](Nc2nccc(C#N)c2[N+](=O)[O-])C1 400154922 HBGLHHHYGLNTIS-SECBINFHSA-N 311.323 0.307 30 20 DBED CC(C)NS(=O)(=O)NCCNC(=O)N(C)C[C@@H](C)C#N 429142013 MNUSCJQSXNTKIT-JTQLQIEISA-N 305.404 -0.380 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2cnc(C)nc2C)CC1 491071559 LMKQQTXYBSQUJA-UHFFFAOYSA-N 315.377 -0.399 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N1CC[C@@H]2NC(=O)OC[C@H]2C1 495776615 HBWDXNZSYZEKCQ-AXFHLTTASA-N 316.383 -0.105 30 20 DBED N#Cc1ccc(S(=O)(=O)N[C@@H](Cc2cnc[nH]2)C(=O)O)o1 554430966 VXMLXLGUQLBHFH-VIFPVBQESA-N 310.291 -0.151 30 20 DBED C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1O 563408148 JQTOVNPKFMGVHA-OASPWFOLSA-N 324.358 -0.400 30 20 DBED C[C@H](C#N)S(=O)(=O)N1CCC[C@@](O)(C(=O)N2CCCC2)C1 566865581 DMVIOBZJRIGJEQ-YPMHNXCESA-N 315.395 -0.322 30 20 DBED C=CCn1cc(CNC(=O)N[C@@H]2CCC(=O)N(C)C2=O)nn1 578862031 FULKLWNYDSDXAU-SNVBAGLBSA-N 306.326 -0.589 30 20 DBED CN(C)C(=O)c1ccnc(NC(=O)NCC(=O)NCC#N)c1 588275932 OKQQPNXXCARPPX-UHFFFAOYSA-N 304.310 -0.455 30 20 DBED COC(=O)c1ccc(S(=O)(=O)NCC#CCO)c(F)c1 601456512 NHWCJUJOLMDGSM-UHFFFAOYSA-N 301.295 -0.114 30 20 DBED C=C(C)CNC(=O)NCCN1CCN(S(C)(=O)=O)CC1 681660114 MLHMFRSBQXSGKY-UHFFFAOYSA-N 304.416 -0.561 30 20 DBED Cc1nc(S(=O)(=O)NCCC(=O)O[C@H](C)C#N)cn1C 750622199 UZBRTDQYRXDSAH-MRVPVSSYSA-N 300.340 -0.148 30 20 DBED C#CCOc1ccc(NC(=O)C(=O)NCCn2ncnn2)cc1 774435185 JFMZACKQDPXKKH-UHFFFAOYSA-N 314.305 -0.560 30 20 DBED C#C[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 775384253 DADGJEWVDJGMBW-UWVGGRQHSA-N 323.374 -0.410 30 20 DBED COCC[C@@H](NC(=O)C#Cc1ccc2c(c1)OCO2)C(N)=O 775977094 PZAAURZTJDTGJT-LLVKDONJSA-N 304.302 -0.227 30 20 DBED NC(=O)CNC(=S)NN=Cc1cc(-c2nn[nH]n2)cs1 822869465 WLUZMODLSCLZQH-UHFFFAOYSA-N 310.368 -0.789 30 20 DBED C#CCN1CCC(NC(=O)C[C@@]2(C)CCS(=O)(=O)N2)CC1 830163550 ZZOCHOCKIQMULT-CQSZACIVSA-N 313.423 -0.328 30 20 DBED C[C@H](N)C[C@H](C)NC(=O)C(=O)NCCNc1ncccc1C#N 843260170 VHXDIRMIKXCELZ-QWRGUYRKSA-N 318.381 -0.277 30 20 DBED C#C[C@H](NC(=O)C(=O)NC[C@@H](C(=O)O)C(C)C)[C@H]1CCCO1 848610033 JGRJCKSRWIWCJX-GRYCIOLGSA-N 310.350 -0.244 30 20 DBED C#CCN1CCC[C@@H](NC(=O)N2CC(N3CC[C@@H](O)C3)C2)C1 890362720 GRKBPJRIKBXGRZ-UKRRQHHQSA-N 306.410 -0.456 30 20 DBED C#CC[C@H](CO)NS(=O)(=O)c1n[nH]c(C)c1C(=O)OC 912556202 JBIWDFIRIVDNNS-MRVPVSSYSA-N 301.324 -0.833 30 20 DBED CN1C[C@H](C(=O)N(C)[C@@H]2CCN(C(=O)C#CC3CC3)C2)NC1=O 937349331 DHIBKINNNDXMOF-CHWSQXEVSA-N 318.377 -0.517 30 20 DBED C[C@]1(C(=O)N[C@H]2CCN(C(=O)C#CC3CC3)C2)CCNC1=O 938809455 RJVUIVIBOOGVNG-LRDDRELGSA-N 303.362 -0.357 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)CC(N)=O)C1 940741087 FYHKSAIDBJTRIF-UTUOFQBUSA-N 309.366 -0.440 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)Cn3cncn3)C2)[nH]1 942460822 SFYHUAKAHJQHJZ-LLVKDONJSA-N 313.321 -0.491 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@H](CNC(=O)c2cccc(O)n2)C1 944534992 PCLCFZRYOPZLFI-GHMZBOCLSA-N 318.333 -0.096 30 20 DBED C#CCCN1CCN(C(=O)[C@@H]2Cc3cncn3C(=O)N2)CC1 949434738 YUMPLORAUGMBRY-ZDUSSCGKSA-N 301.350 -0.467 30 20 DBED C=C(Cl)CN1CCN(C(=O)CCn2ncn(C)c2=O)CC1 949471436 VDVXKLTYBOGMKB-UHFFFAOYSA-N 313.789 -0.131 30 20 DBED C=CCN1CC[C@H](N2CCN(C(=O)c3cnon3)CC2)C1=O 952335624 WBUCVFVPOQJLBA-LBPRGKRZSA-N 305.338 -0.386 30 20 DBED C=CCCN1CC(N(CC)C(=O)c2cn(C)c(=O)n(C)c2=O)C1 952390473 WROQSRWHQITZAS-UHFFFAOYSA-N 320.393 -0.194 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@]2(CCCCN(C(=O)C(N)=O)C2)C1 956561485 USUHNJFRCXKUDN-XHDPSFHLSA-N 306.366 -0.137 30 20 DBED C[C@]1(NC(=O)[C@H]2COCCO2)CCN(C(=O)C#CC2CC2)C1 956720261 ZCCIVDADXXJGFQ-CJNGLKHVSA-N 306.362 -0.078 30 20 DBED COc1cc(C(=O)NC[C@@H]2CN(CC#N)C[C@@H]2O)cc(C)n1 958334768 QBUBFJNGIAZYBT-OLZOCXBDSA-N 304.350 -0.055 30 20 DBED C=CCCN1C[C@H](CNC(=O)c2ccc(=O)n(CC)n2)[C@@H](O)C1 958495491 ZXCPMUXPVRYQRG-JSGCOSHPSA-N 320.393 -0.138 30 20 DBED Cn1nnc(CN2C[C@H]3[C@H](NC(=O)c4c[nH]c(C#N)c4)[C@H]3C2)n1 958617024 AJVLCBIIJSZOJZ-PJXYFTJBSA-N 312.337 -0.730 30 20 DBED C#CCN1C[C@@H]2C(NC(=O)Cc3nnn(C(C)(C)C)n3)[C@H]2C1 960076154 YFJOBXBWJGHACY-QWRGUYRKSA-N 302.382 -0.350 30 20 DBED Cc1nonc1CC(=O)N1C[C@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2C1 962256776 ITFYLSFBTXUART-ZMLRMANQSA-N 317.349 -0.003 30 20 DBED C[C@H](C#N)C(=O)N1CC2(C[C@@H](NC(=O)c3cnns3)CO2)C1 965636744 DZGUVDZIXUUZIN-RKDXNWHRSA-N 321.362 -0.203 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](NC(=O)Cn2cnnn2)C(C)(C)C1 966959492 HNFSWJALFZWOCX-WDEREUQCSA-N 319.369 -0.424 30 20 DBED C=CCN1CC[C@@H](C)[C@H](NC(=O)Cn2nc(C)n(C)c2=O)C1 968597382 WWHPTHWUVVVIPT-DGCLKSJQSA-N 307.398 -0.097 30 20 DBED C#CCCN1C[C@H]2CC[C@H]1CN2C(=O)[C@H]1CN(C(C)=O)CCO1 972069988 MDQUIQKLWYSQEI-ARFHVFGLSA-N 319.405 -0.068 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)c3c[nH]c(=O)cn3)[C@H]2C1 977068032 BEKCZBBPMKCBGH-APOZVJGGSA-N 301.306 -0.884 30 20 DBED C#CCN1C[C@H](NC(=O)c2nccnc2C(N)=O)C(C)(C)C1 977564607 HDCJBGLRHSISDT-JTQLQIEISA-N 301.350 -0.351 30 20 DBED CC#CCN1C[C@H]2C(CNC(=O)c3cn(CCOC)nn3)[C@@H]2C1 978165372 ZAYNJOKYXNFSFV-KBPBESRZSA-N 317.393 -0.145 30 20 DBED CN1CC[C@H](C(=O)NC[C@@H]2CCN(C(=O)C#CC3CC3)C2)C1=O 982739459 MOKVIEGQRZTTQE-UONOGXRCSA-N 317.389 -0.157 30 20 DBED N#Cc1cc(C(=O)NC2CN(C(=O)CCn3cncn3)C2)c[nH]1 990920967 SJYMQMMPVWNMRM-UHFFFAOYSA-N 313.321 -0.491 30 20 DBED CC#CCN1CC[C@]2(NC(=O)CN3CCOCC3=O)CCC[C@@H]12 991088432 LRPJMMIKUMXYEX-RHSMWYFYSA-N 319.405 -0.018 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2COC(=O)N2)C1 992060262 AZRTWOGCQXTUOU-WOPDTQHZSA-N 323.349 -0.597 30 20 DBED COc1cc(OC)nc(C(=O)NC2CN(C(=O)[C@@H](C)C#N)C2)n1 995078259 MNMVVRHLTMVKBQ-QMMMGPOBSA-N 319.321 -0.406 30 20 DBED N#Cc1cc(C(=O)N2CC(NC(=O)[C@H]3CCC(=O)NC3)C2)c[nH]1 995136069 BRAKHIOTCVCUDG-VIFPVBQESA-N 315.333 -0.647 30 20 DBED C#CCCN1CC=C(CNC(=O)c2nccnc2C(N)=O)CC1 1001430087 OIOVNYXQWZRJQJ-UHFFFAOYSA-N 313.361 -0.039 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)C(N)=O)CC[C@@H]2C)nc1 1005093759 VQFSWPDLSBPMIO-GXFFZTMASA-N 314.345 -0.485 30 20 DBED Cc1nc(C(=O)N[C@@H]2CCCN(CC#N)C2)nn1-c1nc[nH]n1 1008118661 AFJXYKYGDMSSHO-SNVBAGLBSA-N 315.341 -0.588 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2C(CNC(=O)c3cn(C)nn3)[C@@H]2C1 1009013557 DGXZZRJPBIVDOV-MIMYLULJSA-N 302.338 -0.591 30 20 DBED C#CCOc1ncccc1C(=O)N[C@@H]1CCCN(CC(N)=O)C1 1009264954 WIBGTHGWMUDOHC-GFCCVEGCSA-N 316.361 -0.227 30 20 DBED C#Cc1ccccc1CC(=O)N[C@H]1C[C@H](C)N(C(=O)C(N)=O)C1 1013964881 CGWKRRRSNKGCAS-FZMZJTMJSA-N 313.357 -0.199 30 20 DBED C#CCN1CCC2(CC1)C[C@H]2NC(=O)c1ccc(=O)n(C)n1 1016961263 NJBTUCOHWHOXHL-CYBMUJFWSA-N 300.362 -0.002 30 20 DBED N#CCN1CCC[C@@H](CNC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 1023502523 FBXFDJAKFVNPLE-AAEUAGOBSA-N 316.365 -0.283 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C(C)(C)C)C[C@H]1O 1024358555 OXPHLUFRFBVWFD-HZSPNIEDSA-N 321.421 -0.182 30 20 DBED C=CCn1cc(C(=O)N[C@H](C)[C@H]2CCCN(CC(N)=O)C2)nn1 1025554502 FVBITYWPCHLYAM-NEPJUHHUSA-N 320.397 -0.220 30 20 DBED C#CCN1CCC[C@H]1CNC(=O)c1coc(S(N)(=O)=O)c1 1027977566 VIFDQDNDYFLJPX-NSHDSACASA-N 311.363 -0.246 30 20 DBED C#CCCN1CC[C@@H](CNC(=O)[C@@H]2CN(C(C)=O)CCO2)C1 1028963371 MVCBAGINZNHNPV-GJZGRUSLSA-N 307.394 -0.305 30 20 DBED CC#CCN1CC(CNC(=O)c2coc(S(N)(=O)=O)c2)C1 1031778544 NQGDMVIOXPTBSQ-UHFFFAOYSA-N 311.363 -0.388 30 20 DBED C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)N1C(=O)CCC1=O 1032432428 UHNSMCNRSVRNET-AVGNSLFASA-N 303.362 -0.168 30 20 DBED CN(C(=O)c1cn([C@@H]2CCOC2)nn1)[C@H]1CCN(CC#N)C1 1033565375 FROFZKUSEZGQAY-NWDGAFQWSA-N 304.354 -0.091 30 20 DBED C#CCN1CCCC[C@H](NC(=O)[C@H]2CN(C(C)=O)CCO2)C1 1034506694 CNYMGDHIGXTXJS-LSDHHAIUSA-N 307.394 -0.162 30 20 DBED C#CCCN1CC2(CCN(C(=O)C[C@@H]3CC(=O)NC3=O)CC2)C1 1035862454 LMYCAPOXJLZUIH-ZDUSSCGKSA-N 317.389 -0.013 30 20 DBED N#CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)C1(N2CCOCC2)CCC1 1037648596 ZNMPNIFSCCXHQI-HZSPNIEDSA-N 304.394 -0.046 30 20 DBED C=CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)CN1C(=O)NC(C)(C)C1=O 1037701731 LFYSNPQBLGYZIS-SCVCMEIPSA-N 306.366 -0.308 30 20 DBED C=CCCC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2COC(=O)N2)C1 1039603037 SPUBVZBVZTYCDP-IINYFYTJSA-N 311.338 -0.859 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@](O)(CNC(=O)C#CC2CC2)C1 1039685255 LOOKSUWJAUIDCT-GUYCJALGSA-N 318.373 -0.482 30 20 DBED CCCN(C)CC(=O)NC[C@@]1(O)CCN(C(=O)[C@H](C)C#N)C1 1040448222 XUKMYUFRUHIZHT-DOMZBBRYSA-N 310.398 -0.433 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)Cc2ccon2)C1 1040759773 CXRQCOQJWSMEEW-HZMBPMFUSA-N 306.322 -0.544 30 20 DBED Cc1nc(C)c(C(=O)NC[C@]2(O)CCN(C(=O)[C@@H](C)C#N)C2)[nH]1 1040940261 IEWDIFPPDQPCGE-BJOHPYRUSA-N 319.365 -0.121 30 20 DBED O=C(Cc1ccoc1)NCC1(O)CN(C(=O)C#CC2CC2)C1 1042732292 PMVZIKZZOFNNAS-UHFFFAOYSA-N 302.330 -0.075 30 20 DBED C=CC(C)(C)CC(=O)NCC1(O)CN(C(=O)Cn2cncn2)C1 1043206730 AYMRGUQTNYCGKO-UHFFFAOYSA-N 321.381 -0.430 30 20 DBED C=CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)CC(C)(C)O)C1 1043571343 NJZXJCFRGOLBNN-LLVKDONJSA-N 314.382 -0.572 30 20 DBED CN1CCCC[C@@H]1C(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1043771813 ZOILFLILEPRYDK-CQSZACIVSA-N 319.405 -0.426 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)[C@@H]2CCN(C)C2)C1 1044478613 JJULPVRPRGYPBN-GFCCVEGCSA-N 309.410 -0.160 30 20 DBED C=C(C)C[C@H](C)C(=O)NCC1(O)CN(C(=O)Cn2cncn2)C1 1045058264 AXWIUBOZJKHBSG-LBPRGKRZSA-N 321.381 -0.430 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(O)(CNC(=O)Cc2cnoc2)C1 1045110576 QPQVXFVEQZWULK-AWEZNQCLSA-N 323.349 -0.766 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)CCc2ccn(C)n2)C1 1045551834 MYJPFWZSUWIREP-NSHDSACASA-N 319.365 -0.798 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)CN(C)CC(C)(C)C)C1 1045554506 FJKVJQOWXIJIAY-LBPRGKRZSA-N 324.425 -0.187 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)[C@@H]2CCC2(F)F)C1 1045556100 WVHLQUATUNSHMS-BDAKNGLRSA-N 301.293 -0.119 30 20 DBED C[C@@]1(C(=O)N2CCN([C@H]3CCN(CC#N)C3)CC2)CNC(=O)C1 1046047727 XLKYLJLCGRDAGB-BBRMVZONSA-N 319.409 -0.745 30 20 DBED N#CCSCC(=O)N1CC(O)(CNC(=O)C2(CF)CC2)C1 1046355205 YFNPKNJPDGUSLC-UHFFFAOYSA-N 315.370 -0.318 30 20 DBED CN1CCOC[C@@H]1C(=O)NC[C@H]1CN(CC#N)CCC1(F)F 1046930998 OFLXSIIBFSFGMA-NWDGAFQWSA-N 316.352 -0.086 30 20 DBED C=CCN1C[C@H]2CN(C(=O)[C@@H]3Cc4cncn4C(=O)N3)C[C@H]2C1 1048952355 JDLNXUVVDWMAKS-SCRDCRAPSA-N 315.377 -0.058 30 20 DBED C#CCN1C[C@@H]2CCCN(C(=O)CN3CCCNC3=O)[C@@H]2C1 1050085232 UTVGKOGLULINSZ-UONOGXRCSA-N 304.394 -0.042 30 20 DBED CC(C)CN1C[C@H](C(=O)NC[C@H]2COCCN2CC#N)CC1=O 1050943954 AAKMJDGLXXTJDR-KGLIPLIRSA-N 322.409 -0.169 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)c1cn(C)nc1COC 1050990222 AMLWIVNBXOKROD-GFCCVEGCSA-N 306.366 -0.370 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)[C@@H]1CCc2nc[nH]c2C1 1051200801 WGSUMAWHUMPJOG-OLZOCXBDSA-N 302.378 -0.035 30 20 DBED N#CCN1CCOC[C@@H]1CNC(=O)[C@@H]1CCc2nn[nH]c2C1 1051210509 WRDAMVCDZNVJFK-MNOVXSKESA-N 304.354 -0.750 30 20 DBED C#CCCN1CCOC[C@@H]1CNC(=O)[C@@H]1CCCS1(=O)=O 1051254938 OQRFDXJBCNVQHQ-STQMWFEESA-N 314.407 -0.596 30 20 DBED O=C1CC[C@@H](NC[C@@H]2CN(C(=O)C#CC3CC3)CCO2)C(=O)N1 1051609104 OBUKVUOUJBDEMW-CHWSQXEVSA-N 319.361 -0.978 30 20 DBED Cn1c(C(=O)N2CC[C@H](N3CCN(CC#N)CC3)C2)cnc1O 1052061323 WXAHVPBDLFAGFK-LBPRGKRZSA-N 318.381 -0.519 30 20 DBED COC(=O)NCC(=O)NC[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1C 1052547668 IIAPAGSTAUMTQI-AAEUAGOBSA-N 321.377 -0.034 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)[C@@H]1CC(=O)N[C@H](C)C1)CCO2 1053322001 RUQKUKRKZMMAMT-KGLIPLIRSA-N 319.405 -0.162 30 20 DBED C=CCN1CC2(C1)CN(C(=O)C[C@H]1CC(=O)NC1=O)CCO2 1053552075 LJVHLYRNSQGUFT-LLVKDONJSA-N 307.350 -0.862 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)C(=O)N3CC[C@@H](C)C3)CO2)C1 1053977001 LYIVEVOECVMAKF-OLZOCXBDSA-N 305.378 -0.553 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2COC3(C2)CN(CCO)C3)nc1 1053984966 HOPHGRSSABJSNP-CYBMUJFWSA-N 301.346 -0.372 30 20 DBED CCN(CC)CC(=O)N[C@]1(CO)CCCN(C(=O)[C@H](C)C#N)C1 1055957085 YGJQAUVPSUHYHK-CZUORRHYSA-N 324.425 -0.042 30 20 DBED CCN(C)CCC(=O)N1CCC[C@](CO)(NC(=O)[C@H](C)C#N)C1 1056096888 LPALTGLGQXPRDZ-CJNGLKHVSA-N 324.425 -0.042 30 20 DBED Cc1nc(N2C[C@H]3[C@H](NC(=O)c4nnn(C)n4)[C@H]3C2)ccc1C#N 1056372081 HGTCEWWQMKDSMB-PJXYFTJBSA-N 324.348 -0.350 30 20 DBED CN1CCO[C@H](C(=O)N2CC[C@@H](N=c3cc[nH]cc3C#N)C2)C1 1056599889 SWJKGNZCFSTRCS-HIFRSBDPSA-N 315.377 -0.281 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)Cn1nccn1 1057700902 QJDSLBBKFPUUCR-UHFFFAOYSA-N 307.354 -0.981 30 20 DBED C=C[C@@H](C)[C@@H](C)C(=O)NCCN(CCO)C(=O)c1cnn[nH]1 1058060301 TWAQBXHKEWYLHJ-GHMZBOCLSA-N 309.370 -0.186 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)c1ccc(=O)n(C)c1 1058061506 ZYEWQRKWWCFNTI-LLVKDONJSA-N 320.349 -0.904 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](CCNC(=O)Cc2nc[nH]n2)C1 1060289522 OUJMEPHOXXWWJU-MNOVXSKESA-N 304.354 -0.138 30 20 DBED N#Cc1nc(=NC[C@@H]2CCN(C(=O)[C@@H]3CCC(=O)N3)C2)cc[nH]1 1060899558 HCBKYKNMYFJDAH-QWRGUYRKSA-N 314.349 -0.691 30 20 DBED C=CCOCC(=O)N1CCOC[C@@H]1CNC(=O)CSC 1061256224 LLYVJEUNZWFBCK-NSHDSACASA-N 302.396 -0.104 30 20 DBED N#Cc1cncc(N2CC[C@H](CNC(=O)[C@@H]3CCC(=O)N3)C2)n1 1061625957 BAWKOCBORNTLPG-PWSUYJOCSA-N 314.349 -0.431 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)Cc1ccn(C)n1 1061848927 WYUXUSHKCRONID-AAEUAGOBSA-N 319.365 -0.534 30 20 DBED C#CCCCC(=O)N1CCOC[C@H]1CNC(=O)Cc1nc[nH]n1 1061920012 URMVLKHFQDVHCG-GFCCVEGCSA-N 319.365 -0.506 30 20 DBED N#Cc1cncc(NCC[C@H]2CCCN(C(=O)C(N)=O)C2)n1 1063292911 JTXZWRXRMAMSJG-SNVBAGLBSA-N 302.338 -0.126 30 20 DBED N#Cc1nccc(N2CC[C@@H]3CN(C(=O)C(N)=O)CC[C@H]32)n1 1064033648 OVZNSERDLFQVIS-NXEZZACHSA-N 300.322 -0.739 30 20 DBED Cn1ncc(C(=O)N[C@H]2[C@H]3C[C@H]2N(c2nccnc2C#N)C3)c1N 1064245790 XASSIASYOXIVFO-AXTRIDKLSA-N 324.348 -0.329 30 20 DBED C[C@H]1C[C@@H](N=c2cc[nH]c(C#N)n2)CCN1C(=O)c1cnn[nH]1 1064838113 VIVIKAJGLQCEGU-UWVGGRQHSA-N 312.337 -0.007 30 20 DBED COCCC(=O)NC[C@H]1CN(C(=O)CSCC#N)CCO1 1064881741 YNAJAWCRZDMJBG-NSHDSACASA-N 315.395 -0.377 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)[C@H]2CCNC2=O)CCO1 1065422724 UCPRVDDCOLCGRY-STQMWFEESA-N 321.377 -0.875 30 20 DBED N#Cc1cncc(N2C[C@H](O)[C@H](CNC(=O)c3ccncc3)C2)n1 1067642341 BUMLWYRUNFIAMQ-OCCSQVGLSA-N 324.344 -0.030 30 20 DBED N#Cc1nccc(N2C[C@H]3C[C@@H](NC(=O)C(N)=O)CC[C@H]3C2)n1 1068266483 KTAVQSKFJUFUHG-AXFHLTTASA-N 314.349 -0.445 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCOC2(CN(C(=O)C(F)F)C2)C1 1068397096 XZCNNBGUCVHJPG-JTQLQIEISA-N 316.304 -0.270 30 20 DBED C=CCOCC(=O)N[C@@H]1COC2(C1)CN(C(=O)[C@H]1CCOC1)C2 1068764424 QJDMUOCJRGMFGE-STQMWFEESA-N 324.377 -0.288 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)[C@@]23COC[C@@H]2C3)CCOCC1 1070138741 CMBYPGGIGFNBAY-MKBNYLNASA-N 321.377 -0.036 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1n1ccnn1 1070172276 VHICAFMAXFWTBL-KGLIPLIRSA-N 309.333 -0.234 30 20 DBED C=CCOCC(=O)N1CCC[C@@H](NC(=O)c2cnn(C)n2)C1 1070554006 CIIVCSKPUDQEQJ-LLVKDONJSA-N 307.354 -0.262 30 20 DBED C[C@H]1CN(C(=O)Cn2cncn2)C[C@@]2(CCN(CC#N)C2)O1 1071238001 GYAHZJOSXXHGSU-JSGCOSHPSA-N 304.354 -0.507 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H](C)[C@H](NC(=O)C(C)(C)F)C1 1071922254 QVKGILWSLZIVPB-WDEREUQCSA-N 311.357 -0.163 30 20 DBED C[C@@H]1CN(C(=O)C2(NC(N)=O)CC2)C[C@@H]1NC(=O)C#CC1CC1 1071926117 SMSKYYMTWJJRCG-PWSUYJOCSA-N 318.377 -0.436 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1C 1072049153 RADCRBSJNBLXME-OCCSQVGLSA-N 315.373 -0.498 30 20 DBED CC#CCN1CCCO[C@@H](CNC(=O)C2CS(=O)(=O)C2)C1 1073620966 SPGOWCJSBLASLL-ZDUSSCGKSA-N 314.407 -0.739 30 20 DBED CC(C)N1C[C@@H](C(=O)NC[C@H]2CN(CC#N)CCCO2)CC1=O 1073623867 UNZYGUFFJYWJEC-KBPBESRZSA-N 322.409 -0.026 30 20 DBED C=CCCN1CCCO[C@H](CNC(=O)c2nnc(O)nc2O)C1 1073679970 VSMAQLHGUCVNGQ-SNVBAGLBSA-N 323.353 -0.320 30 20 DBED C[C@@H]1CN(C(=O)CC(N)=O)CC[C@@H]1NC(=O)CSCC#N 1073744759 PZUOQOQDIQMHGI-ZJUUUORDSA-N 312.395 -0.528 30 20 DBED N#CCN1CCO[C@@H]2CCN(C(=O)c3cnnc(O)c3)C[C@@H]21 1074270325 FYFSZHAQAPBRNI-NWDGAFQWSA-N 303.322 -0.379 30 20 DBED CC(=O)N[C@@H](C)C(=O)N1CCC(O)(CNC(=O)[C@H](C)C#N)CC1 1074451589 XWFHKASPJBMWHL-MNOVXSKESA-N 324.381 -0.860 30 20 DBED C#CCCCC(=O)N[C@@H](C)CCNC(=O)CS(C)(=O)=O 1075817103 HDWMNNVFGKOCLC-NSHDSACASA-N 302.396 -0.155 30 20 DBED C#CCOCCC(=O)N[C@@H](C)CCNC(=O)CC(=O)N(C)C 1076570892 KZJKYSGTWYLODB-LBPRGKRZSA-N 311.382 -0.484 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2cc(=O)c3ccccc3[nH]2)C1 1077331774 JPBYEPGPNDWNES-GDBMZVCRSA-N 311.341 -0.064 30 20 DBED C[C@@H](C#N)C(=O)NC1(CO)CCN(C(=O)CSCC#N)CC1 1080981580 HOLXOSLRGLAFLF-NSHDSACASA-N 324.406 -0.127 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cccn2C)C1 1081260531 YYIRTGCIQNOYPY-OCCSQVGLSA-N 321.377 -0.223 30 20 DBED CC(C)C#CC(=O)N1C[C@H](CNC(=O)c2ccnn2C)[C@@H](O)C1 1081321233 MOPMICHACFYFGP-JSGCOSHPSA-N 318.377 -0.371 30 20 DBED CCOCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 1081418676 BMOWDWJLJNOXGF-DGCLKSJQSA-N 320.349 -0.528 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)Cn2cncn2)C1 1081787380 FOXZDRSLUVLUIS-VXGBXAGGSA-N 307.354 -0.820 30 20 DBED C=C(C)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CN(C)C(=O)N1 1083163009 NGDDEZBZUADLBK-FRRDWIJNSA-N 308.382 -0.502 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CCc1cnn[nH]1 1083197971 SJJNNSSEYQFDHV-UONOGXRCSA-N 303.366 -0.328 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@@H](C)n2nnnc2C(C)(C)C)C1 1083513641 RZDYOFYIGAEAMP-UTUOFQBUSA-N 320.397 -0.674 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCCN(C(C)=O)C2)C1 1083617500 PEKKUWKCVWILOW-KFWWJZLASA-N 309.410 -0.018 30 20 DBED C#CCN1CC[C@H](NC(=O)c2ccc(S(N)(=O)=O)o2)[C@H]1C 1088702436 QVMLYXPJCBCZAD-ZJUUUORDSA-N 311.363 -0.247 30 20 DBED N#CCN1CC[C@H](NC(=O)Cc2cnn3c2CCCC3)[C@H](O)C1 1090336760 KYJHFYQLAKGZKV-DZGCQCFKSA-N 317.393 -0.163 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(c2cc(C)nc(CO)n2)C[C@H]1O 1090390873 ANNGSCQLTLHATK-VXGBXAGGSA-N 322.365 -0.854 30 20 DBED C=CCCN1CC[C@@H](NC(=O)c2ccc3nnnn3c2)[C@@H](O)C1 1090431434 XVJWMCYIQOMDGS-OLZOCXBDSA-N 316.365 -0.135 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2cc3c(nc2O)CCC3)[C@@H](O)C1 1090811838 BAOWHUGVDNNXJA-KGLIPLIRSA-N 316.361 -0.036 30 20 DBED CN(C)C(=O)CC(=O)NC[C@H]1C[C@H](N=c2cc[nH]c(C#N)n2)C1 1091517872 SCQCKMHXNZNGCI-XYPYZODXSA-N 316.365 -0.445 30 20 DBED CC1(C)CC[C@@H](CNC(=O)C(N)=O)N(c2ccc(C#N)nn2)C1 1092121592 PXPAMIVDAIGAMV-NSHDSACASA-N 316.365 -0.055 30 20 DBED CN(C)C(=O)CC(=O)NC1[C@@H]2CN(c3ccc(C#N)nc3)C[C@@H]12 1093357607 GIRHVZIRSUDELS-CHWSQXEVSA-N 313.361 -0.018 30 20 DBED C#CCN1CC(OC2CCN(C(=O)C[C@@H]3CCC(=O)N3)CC2)C1 1093582459 FXNBMMKSZPVKGK-ZDUSSCGKSA-N 319.405 -0.020 30 20 DBED N#Cc1nccnc1NCCCNC(=O)C[C@@H]1CCNC1=O 1094617179 AALXQLKMJZLHSD-JTQLQIEISA-N 302.338 -0.207 30 20 DBED CN1CC[C@H](C(=O)NCCCN(C)c2ccc(C#N)nn2)C1=O 1095701585 OLOZKPBRCBGVEG-GFCCVEGCSA-N 316.365 -0.231 30 20 DBED N#Cc1nccc(N2CC[C@H](NC(=O)CCc3nc[nH]n3)C2)n1 1096366293 FDSNGYJHABUGCQ-JTQLQIEISA-N 312.337 -0.206 30 20 DBED CC#CCN(CCO)C1CCN(C(=O)[C@H]2CCC(=O)NC2)CC1 1098417147 WRBWUDMJOZEMRU-AWEZNQCLSA-N 321.421 -0.179 30 20 DBED C[C@@H](CNC(=O)CN1CCCNC1=O)N=c1cc[nH]cc1C#N 1098420179 IEHXJBLMVLZTQV-NSHDSACASA-N 316.365 -0.293 30 20 DBED CC(=O)NCC(=O)N1CC[C@H](CNc2cnc(C#N)cn2)C1 1098494741 FDAZTIKOBRELPS-LLVKDONJSA-N 302.338 -0.255 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(Cc2cn(C)nc2C)C[C@@H]1O 1099740390 CITKSDHUSLZIMX-CABCVRRESA-N 322.409 -0.017 30 20 DBED N#CCNC(=O)CN1CC[C@@H](NC(=O)C2CC=CC2)[C@@H](O)C1 1099743391 IYFDCSUUISTPIP-OLZOCXBDSA-N 306.366 -0.856 30 20 DBED C#CCOCCC(=O)N[C@H]1CCN(Cc2ccnn2C)C[C@H]1O 1099832127 BPYHUKOHHYTSLL-LSDHHAIUSA-N 320.393 -0.489 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCN(Cc2cnon2)C[C@H]1O 1099836402 ZHIUFYHWQKLOHM-CHWSQXEVSA-N 308.338 -0.839 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)CCn2ccnc2)[C@@H](O)C1 1099939793 MEYZCWWRPDFNCX-CABCVRRESA-N 320.393 -0.526 30 20 DBED CN(CCNC(=O)[C@@H]1CCNC(=O)C1)c1cnc(C#N)cn1 1100007212 VTYNUNXULLALOO-SNVBAGLBSA-N 302.338 -0.573 30 20 DBED CCCN(C)CC(=O)N[C@@H]1CCN(CC#CCOC)C[C@H]1O 1100082902 JUCQZRPERLFINQ-HUUCEWRRSA-N 311.426 -0.471 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)CS(=O)(=O)C(C)C)[C@H](O)C1 1100116375 WVLNMGOCIHCCAS-CHWSQXEVSA-N 318.439 -0.063 30 20 DBED CN(CCNC(=O)CC1CS(=O)(=O)C1)c1ccc(C#N)cn1 1100219580 FNPYCUWMBVUIOW-UHFFFAOYSA-N 322.390 -0.060 30 20 DBED CNC(=O)NCC(=O)NC[C@H]1CCN(c2cncc(C#N)n2)C1 1101066405 UHEUMJKJARDEJI-SNVBAGLBSA-N 317.353 -0.780 30 20 DBED N#CCNC(=O)CNC1CC(CNC(=O)Cn2ccnc2)C1 1101070375 RGZKBUSVOXWOOK-UHFFFAOYSA-N 304.354 -0.993 30 20 DBED C[C@@]12CN(CC(=O)NCC#N)C[C@@H]1CN(C(=O)[C@H]1CCCO1)C2 1101114031 PPGVDCRGPZOBAW-IOASZLSFSA-N 320.393 -0.415 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CN(c2nccnc2C#N)CCO1 1104301578 HUVJIPZTGKYXMQ-MNOVXSKESA-N 300.322 -0.171 30 20 DBED Cc1nc(N2CCO[C@@H](CNC(=O)C(N)=O)C2)ccc1C#N 1104344581 CNEPXGNNRZSTPP-NSHDSACASA-N 303.322 -0.932 30 20 DBED CN(CCN(C)c1cncc(C#N)n1)C(=O)[C@@H]1CCC(=O)N1 1105440314 PGKWTKXJYPKMHC-NSHDSACASA-N 302.338 -0.479 30 20 DBED Cc1cnc(C(=O)NC[C@H](O)CN=c2cc[nH]c(C#N)n2)cn1 1105709004 FZYSXFSNOLNRTB-SNVBAGLBSA-N 313.321 -0.929 30 20 DBED C=CCCC(=O)NC[C@H](O)CNc1nc(O)c2cnn(C)c2n1 1105739539 NHMAHTQTHHRYPV-VIFPVBQESA-N 320.353 -0.076 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H](O)CNc1ccc(C#N)cn1 1105970369 GDRCDIHOUUIJBD-YPMHNXCESA-N 302.334 -0.119 30 20 DBED C=CCOCC(=O)NCc1cn(C2CN([C@H](C)COC)C2)nn1 1107146227 BJTNDGCIMYETCL-GFCCVEGCSA-N 323.397 -0.012 30 20 DBED C=CCN1CC(n2cc(CNC(=O)C[C@@H]3CCNC3=O)nn2)C1 1107178334 SQPVKVZOEWVENV-NSHDSACASA-N 318.381 -0.537 30 20 DBED N#Cc1cncc(NC/C=C/CNC(=O)[C@@H]2CC[C@H]2C(N)=O)n1 1107451937 NXPPVYLYMIWRLX-NUYITTKVSA-N 314.349 -0.056 30 20 DBED C=CCNC(=O)NC(=O)CN1CCO[C@](C)(CNC(C)=O)C1 1107664380 NEOOMJYVGNUMEX-CQSZACIVSA-N 312.370 -0.775 30 20 DBED CCCNC(=O)CN1CCO[C@@](C)(CNC(=O)[C@H](C)C#N)C1 1107821017 HSDHRMQVMHZTSL-DOMZBBRYSA-N 310.398 -0.121 30 20 DBED C[C@@H](CNc1cncc(C#N)n1)NC(=O)Cn1cnnc1O 1108315428 KGNXPERDFLPTSN-QMMMGPOBSA-N 302.298 -0.738 30 20 DBED CC(=O)N1CCC[C@H]1C(=O)NC[C@]1(C)CN(CC#N)CCO1 1108354089 YASHHWHJXYRGRM-DZGCQCFKSA-N 308.382 -0.272 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)[C@H]1CCCC(=O)N1 1108570909 KNOGHXQQXRYCBQ-VHSXEESVSA-N 302.338 -0.645 30 20 DBED C[C@@H](CN=c1cc[nH]cc1C#N)NC(=O)[C@@H](C)S(C)(=O)=O 1108773865 SLIZGIKEYVEBKG-VHSXEESVSA-N 310.379 -0.275 30 20 DBED CC(=O)N1CC(C(=O)N[C@@H](C)CN(C)c2ccc(C#N)nn2)C1 1108917578 IKPNWXNBTYWQME-JTQLQIEISA-N 316.365 -0.233 30 20 DBED COC(=O)NCC(=O)N(C)CCCNc1ccc(C#N)nn1 1109373300 URJITOIZHCIFFF-UHFFFAOYSA-N 306.326 -0.035 30 20 DBED COC[C@H](OC)C(=O)N(C)CCCN=c1cc[nH]c(C#N)n1 1109605008 IZWAJOTWRFZOSA-NSHDSACASA-N 307.354 -0.308 30 20 DBED CCNC(=O)CC(=O)N[C@H]1[C@H]2C[C@H]1N(c1nccnc1C#N)C2 1109704142 MSEAUCQLPROFIC-PXWWUCIGSA-N 314.349 -0.432 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H]1CCN(C)C1 1110101450 PLEIQFZKPPNTBT-XGUBFFRZSA-N 318.421 -0.591 30 20 DBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1ccc[nH]1 1110279140 SEFJMPOKLIEVQC-RTXFEEFZSA-N 301.350 -0.010 30 20 DBED CO[C@@H](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1110376108 GXMGVLNPUDZWGW-LOWDOPEQSA-N 308.382 -0.227 30 20 DBED C[C@@]1(NC(=O)CCNC(N)=O)CCN(c2cncc(C#N)n2)C1 1110760565 PNLAMYBVHCUHMX-CQSZACIVSA-N 317.353 -0.508 30 20 DBED N#Cc1cnccc1N1CCC[C@](CO)(NC(=O)CC(N)=O)C1 1111346291 GVRCORPKBIEEGR-HNNXBMFYSA-N 317.349 -0.724 30 20 DBED CCO[C@@H](CC)C(=O)N(CCO)CCN=c1cc[nH]c(C#N)n1 1111433473 CDGYFKJRLLSVJE-LBPRGKRZSA-N 321.381 -0.182 30 20 DBED COCC(C)(C)C(=O)N(CCO)CCN=c1cc[nH]c(C#N)n1 1111530571 QBHWMOCYSJWXAZ-UHFFFAOYSA-N 321.381 -0.324 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)CC(=O)NC)C[C@H](C)O2 1111542799 WCHYYOJXRVFTID-ZDUSSCGKSA-N 307.394 -0.162 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)[C@H](C)OCC#C)CC1 1112841838 OQOAXJCTSOPDPU-KBPBESRZSA-N 305.378 -0.693 30 20 DBED C[C@H](NC(=O)CCn1cnnn1)[C@@H](C)Nc1ccc(C#N)nn1 1113123712 BVQHMOIQDSATEV-ZJUUUORDSA-N 315.341 -0.270 30 20 DBED CCOCCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@H](C)C#N)[C@H]2C1 1114064614 SZRWWFDXTXWRJJ-NMKXLXIOSA-N 308.382 -0.655 30 20 DBED Cc1ncoc1C(=O)NC1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]12 1114101474 QFUSMSILTVHKRB-NXEZZACHSA-N 303.322 -0.717 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)c3cncnc3)[C@@H]2C1 1114157223 AVRDGWHGIBREOB-VXGBXAGGSA-N 301.350 -0.561 30 20 DBED CN1CCC(C(=O)N[C@H]2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]32)CC1 1114775045 ZGGLWENMNFENML-NHAGDIPZSA-N 319.409 -0.986 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)C[C@@H](C)COC)[C@@H]2C1 1115051978 DGANWWRNIZNCEF-JHJVBQTASA-N 307.394 -0.545 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N[C@H]1CC(=O)N(C(C)C)C1 1118609727 QIJUYPXWOSMYIP-ZDUSSCGKSA-N 323.393 -0.390 30 20 DBED C#CCNC(=O)C1CCN(S(=O)(=O)c2cnc(C)n2C)CC1 1118869716 RSGGFBHAZHMKBH-UHFFFAOYSA-N 324.406 -0.121 30 20 DBED C[C@@H](CN1CCOCC1)NC(=O)C(=O)N1CCC[C@H](C#N)C1 1119745362 BECQQMCJGHUKKE-QWHCGFSZSA-N 308.382 -0.415 30 20 DBED C#CCOCCC(=O)N(C)C[C@H](C)Nc1ccc2nnnn2n1 1120084555 VOLPIYWPEWBJJF-NSHDSACASA-N 317.353 -0.182 30 20 DBED C#CCNC(=O)CNC1CC2(C1)CC(NC(=O)[C@H](O)C(C)C)C2 1121058769 JPYMKIUFYXFGKC-QNJCKLSPSA-N 321.421 -0.230 30 20 DBED COCCCC(=O)NC[C@@H](CO)Nc1nc(C)cc(C#N)n1 1121106429 IIHUEFFRIWDAQA-LBPRGKRZSA-N 307.354 -0.028 30 20 DBED N#Cc1cnc(N[C@H](CO)CNC(=O)CC(N)=O)c(Cl)c1 1121258854 YJTDDATWYUTIOI-QMMMGPOBSA-N 311.729 -0.629 30 20 DBED C=CCOCC(=O)NC[C@H](CO)Nc1cc(C)nc2ncnn12 1121325101 VTNQOMXAVGERTJ-LLVKDONJSA-N 320.353 -0.476 30 20 DBED Cc1ccc(C#N)c(N[C@@H](CO)CNC(=O)Cn2nccn2)n1 1122098649 XMXZFFUWHRRTBE-GFCCVEGCSA-N 315.337 -0.558 30 20 DBED N#Cc1nccnc1N[C@@H](CO)CNC(=O)CCn1ccnc1 1122379038 OSIVFLFCDJYRPL-LLVKDONJSA-N 315.337 -0.476 30 20 DBED CC(=O)NCC(=O)N1CC[C@@H](N=c2cc[nH]cc2C#N)[C@H]1C 1122904319 RQONPZVQAPPYIY-ZWNOBZJWSA-N 301.350 -0.087 30 20 DBED C[C@H](C#N)C(=O)N(C)C[C@@H](O)CNc1ncnc2c1cnn2C 1124191710 OUJLOMUNYYBJAN-ZJUUUORDSA-N 317.353 -0.246 30 20 DBED Cc1ccc(C#N)c(NC[C@@H](O)CN(C)C(=O)CC(N)=O)n1 1124201176 UGOUYXPQOKADMD-LLVKDONJSA-N 305.338 -0.632 30 20 DBED C=CCOCC(=O)NCCN[C@@H](C)C(=O)NCC(F)(F)F 1124772298 ASMYLSIRPCVESS-VIFPVBQESA-N 311.304 -0.038 30 20 DBED C[C@H](C#N)C(=O)NCCNCc1nnnn1CC1CCOCC1 1124896819 PXLFWFKYAUNIRC-LLVKDONJSA-N 321.385 -0.535 30 20 DBED C#CCNC(=O)CC(=O)NCCNCc1csnc1OC 1125997563 BHGZNBIWAVXRLO-UHFFFAOYSA-N 310.379 -0.503 30 20 DBED C=C[C@](C)(O)CC(=O)NCCNCC(=O)Nc1nncs1 1126365750 NGAJIKBKWGJYBN-LBPRGKRZSA-N 313.383 -0.491 30 20 DBED N#Cc1ccccc1CNCCNC(=O)CN1CCOCC1=O 1129551183 OMTBFFQMDBNZHZ-UHFFFAOYSA-N 316.361 -0.377 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCNC[C@H]1CCNC(=O)CC1 1129770339 DOLYMKVHOPZNQO-CABCVRRESA-N 320.437 -0.294 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@H]2C[C@@H]3CN(CC#N)C[C@]2(C1)O3 1131230154 GNALZNVXDQKERK-DSJMHWKBSA-N 303.362 -0.150 30 20 DBED C#CCN[C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](C)NC(N)=O)CC1 1131480114 DTZMCMVUMQBJKU-YUTCNCBUSA-N 322.409 -0.338 30 20 DBED Cc1nn[nH]c1C(=O)N[C@@H](C)C[C@H](C)NCC(=O)NCC#N 1135161224 KLOJRMXETDKBON-IUCAKERBSA-N 307.358 -0.761 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)C2(C(=O)NC)CC2)C1=O 1135249981 HSZFAEPOTKVHLU-NSHDSACASA-N 308.382 -0.995 30 20 DBED COCC[C@H](C)C(=O)N1CC2(CCN(CC(=O)NCC#N)C2)C1 1148784174 QYRLUVJIPRSTMS-ZDUSSCGKSA-N 322.409 -0.167 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(CC(=O)NCC#N)CCCO1 1149431369 IZWPQGLXEUODJT-ZDUSSCGKSA-N 324.381 -0.964 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(Cc2nc(O)n[nH]2)CCCO1 1149693977 FSBQOPIYMFIPCO-LBPRGKRZSA-N 319.365 -0.369 30 20 DBED Cc1ccccc1OCC(=O)NCCNCC(=O)NCC#N 1149703187 FYSNLMMWKDDWNL-UHFFFAOYSA-N 304.350 -0.281 30 20 DBED C#CCN(CC)[C@H](C)CNC(=O)Cn1ccc(=O)n(C)c1=O 1153710226 GUVBYIMBWPIANA-GFCCVEGCSA-N 306.366 -0.993 30 20 DBED C#CCN1CC=C(CCNC(=O)CCNS(C)(=O)=O)CC1 1160279408 SPMGUVUVAACFDC-UHFFFAOYSA-N 313.423 -0.303 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@H]1CCc2nccn2C1 1161300101 DRNQXXHOKOYYBU-ZDUSSCGKSA-N 319.409 -0.156 30 20 DBED C#CCN1CCC(CNC(=O)[C@H]2CC[C@@H]2C(N)=O)(COC)CC1 1162401722 UOZYQISRXDGINE-KBPBESRZSA-N 321.421 -0.024 30 20 DBED C[C@@H](CCCCNCC(=O)NCC#N)NC(=O)[C@@]12COC[C@@H]1C2 1170888046 NWYFLNCEILLSAM-XEZPLFJOSA-N 322.409 -0.073 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@H](NCc2cn(C)nn2)[C@@H]1C 1178678885 VJFGPCAHMHCDED-OBJOEFQTSA-N 305.382 -0.068 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)CCCC(N)=O)[C@H]1C 1180291634 HKJNLMOUAWTOIW-RYUDHWBXSA-N 310.398 -0.477 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2cnccn2)C1 1180736245 RZGZXBWWLPPKSC-VXGBXAGGSA-N 301.350 -0.581 30 20 DBED C[C@H]1CN(C(=O)CCCS(N)(=O)=O)CC[C@@H]1CNCC#N 1185041681 VACJDMCQMSKBLI-NWDGAFQWSA-N 316.427 -0.347 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)C2CCN(C)CC2)C1 1185384945 HKYTYYTXFGFPDP-CQSZACIVSA-N 306.410 -0.732 30 20 DBED C[C@@H]1CN(C(=O)c2ccc(=O)n(C)n2)CC[C@@H]1CNCC#N 1185642943 VWFCFQLQSPQYCN-VXGBXAGGSA-N 303.366 -0.008 30 20 DBED C=C(C)CN[C@@H]1CCN(C(=O)[C@@H](CCC(N)=O)NC(C)=O)C1 1186376656 FJTRKJVJLGDZBR-CHWSQXEVSA-N 310.398 -0.477 30 20 DBED C=CCOCCN[C@@H]1CCN(C(=O)CN2CCC(=O)NC2=O)C1 1186843089 PNIPQRKVRUFTTF-GFCCVEGCSA-N 324.381 -0.679 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)OCC(C)C)C1 1191439455 DOGNOAKFTSACMB-RBSFLKMASA-N 312.410 -0.141 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C2CC(C)(C)C2)C1 1192600169 VOLDNKHKPWVGNZ-CHWSQXEVSA-N 309.410 -0.114 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C(C)(C)C(C)C)C1 1193267712 KTSBCOIZPJBFKT-CHWSQXEVSA-N 309.410 -0.421 30 20 DBED C#CCO[C@H](C)C(=O)N1CCCN(Cc2nc(=O)n(C)[nH]2)CC1 1195792225 RDYSPGIWYNREKO-GFCCVEGCSA-N 321.381 -0.819 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)C2(S(C)(=O)=O)CCCC2)C1 1196898695 LGNSPBFSKKGNKA-VXGBXAGGSA-N 314.407 -0.862 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)Cc2nonc2C)C1 1197374893 RUKVOYTUGMHDDH-CHWSQXEVSA-N 310.354 -0.716 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)Cn2cccn2)CC1 1199319849 BRFNKAMQWXEXIV-UHFFFAOYSA-N 305.382 -0.234 30 20 DBED CS(=O)(=O)CCNC1CCN(C(=O)CSCC#N)CC1 1199387144 HCNLHNGRFHTPHW-UHFFFAOYSA-N 319.452 -0.132 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@H]2CC[C@H]1N(C(=O)c1cc[nH]n1)C2 1204004288 YYDPCWDMCZBEFP-KWCYVHTRSA-N 315.377 -0.258 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CN(CCN2C(=O)CNC2=O)C[C@H]1C 1206659805 RAUSKMIMWLDUFN-GMTAPVOTSA-N 307.354 -0.866 30 20 DBED C#CCCNCC1CCN(C(=O)c2cn(CC(N)=O)nn2)CC1 1206951410 PPQLMLQHXQXWTQ-UHFFFAOYSA-N 318.381 -0.772 30 20 DBED C=CCCN[C@H]1CCCN(C(=O)[C@H](CCC(N)=O)NC(C)=O)C1 1210154159 HWOVBOOJJBREJU-KBPBESRZSA-N 324.425 -0.087 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)C2(C)CCC2)[C@H](OC)C1 1213267007 UGQFLIJPNCCSFG-CHWSQXEVSA-N 307.394 -0.259 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1CN(CC#N)C[C@H]1OC 1213537966 ZBVPHMZHYIZVMA-MGPQQGTHSA-N 308.382 -0.204 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)c2n[nH]c(C)c2O)C[C@H]1C 1214443418 BCCWYGLOJLCPII-MWLCHTKSSA-N 321.381 -0.224 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1C 1214543919 UBIWLCWPOPYCLN-GRYCIOLGSA-N 320.397 -0.444 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)C(C)(C)NC(C)=O)C[C@H]1C 1215952706 DWGWSBBXACJGRY-TZMCWYRMSA-N 309.410 -0.013 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1ncc[nH]1 1217825756 IAWAURVNBUWECZ-NWDGAFQWSA-N 319.365 -0.763 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2ncnn2CC)C[C@@H]1O 1221143434 DPLDWPWUJWYXJK-XQQFMLRXSA-N 323.397 -0.450 30 20 DBED CCC(=O)NCC(=O)N1C[C@H]2CCN(CC#CCOC)C[C@H]21 1221451694 UILAQMGAUYYYHZ-ZIAGYGMSSA-N 307.394 -0.305 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)c2nccn2CC)CC1 1227060712 LDZZGKTZAHFJCV-UHFFFAOYSA-N 317.393 -0.153 30 20 DBED Cn1cncc1C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCC#N 1227310996 IOKHVGJCMMBANL-VXGBXAGGSA-N 318.381 -0.310 30 20 DBED C#CCN1CCS(=O)(=O)[C@@H](CCNC(=O)[C@@H]2CCOC2)C1 1230517740 WJLHSDBJWWPKMX-OLZOCXBDSA-N 314.407 -0.739 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)c1cc(C)[nH]n1 1230900504 UCWUVZMKDFETNK-LBPRGKRZSA-N 303.366 -0.386 30 20 DBED CCO[C@H](C(=O)N(C)C[C@@H]1CCN1CC(=O)NCC#N)C1CC1 1234333115 JAOCNHOHJVLXCD-ZFWWWQNUSA-N 322.409 -0.026 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CC[C@@H](CCCO)C2)nn1 1261448886 JNOCOLMNTIXUGQ-GFCCVEGCSA-N 321.381 -0.299 30 20 DBED C=CCn1c(C(N)=O)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1262947739 SKZPMJOUQLAHLN-LBPRGKRZSA-N 320.397 -0.136 30 20 DBED C=C(C)COCCNC(=O)C(=O)N[C@H]1CCC[C@H]1C(=O)NC 1323587244 TUNWBQVTBSZRHQ-NEPJUHHUSA-N 311.382 -0.274 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)NC[C@H]1CC(=O)N(C2CC2)C1 1324534732 IJSJTAPFLZDFID-MNOVXSKESA-N 309.366 -0.569 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CC[C@@](F)(C#N)C2)C1=O 1325093935 RRYIMOREQFWGOW-XHDPSFHLSA-N 322.340 -0.304 30 20 DBED C#CC1CCN(C(=O)C(=O)NCc2nnnn2CC2CC2)CC1 1326922131 WTFZXTOYWVESBO-UHFFFAOYSA-N 316.365 -0.429 30 20 DBED CN(Cc1ccon1)C(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1329436528 HXNFFFUJEQUGCQ-CYBMUJFWSA-N 317.349 -0.168 30 20 DBED C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N1CCO[C@@H](C#N)C1 1329644182 LAKJDRDVGRRAOT-KGYLQXTDSA-N 306.366 -0.664 30 20 DBED C[C@H](NC(=O)C(=O)N1CCN(CCC#N)CC1)[C@H]1CCCOC1 1330298286 NPDYRVZEEBOOPH-KBPBESRZSA-N 322.409 -0.024 30 20 DBED CS(=O)(=O)CCNC(=O)C(=O)Nc1sccc1C#N 1330356773 OUCRCNQIMXMGQW-UHFFFAOYSA-N 301.349 -0.281 30 20 DBED C#CCN(CC)c1nnnn1CCCN(C)S(C)(=O)=O 1337641366 HCDYLUKQLORDAZ-UHFFFAOYSA-N 300.388 -0.586 30 20 DBED N#CC1(CNC(=O)CCN2C(=O)CCNC2=S)CCOCC1 1347609200 OKYWOOQIHCFAQZ-UHFFFAOYSA-N 324.406 -0.080 30 20 DBED C#CCOCCN(C)C(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O 1353520586 PDXFGEDXYZUZDW-OAHLLOKOSA-N 307.350 -0.185 30 20 DBED Cn1cc(C#N)c(NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)n1 1361308543 ZVDQSIDKDIZMNN-VIFPVBQESA-N 311.367 -0.098 30 20 DBED CC(=O)NCC(=O)N1CCCN(C(=O)NC[C@H](C)C#N)CC1 1365135076 PRLAVRZKHOUTRH-LLVKDONJSA-N 309.370 -0.474 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1(NC(N)=O)CC1 1374932683 YMGMVEDCAQCVIL-UTLUCORTSA-N 305.338 -0.841 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H](CNC(=O)CCn1cnnn1)C1CC1 1385773742 RUVCPHHOQCOMTM-ONGXEEELSA-N 305.342 -0.766 30 20 DBED COCC(=O)N(C)CC(=O)NC[C@H](C)CNC(=O)[C@H](C)C#N 1388446339 HENSDHAOPQBZIP-WDEREUQCSA-N 312.370 -0.881 30 20 DBED Cc1ncc(C(=O)NC[C@]2(O)CCN(C(=O)[C@H](C)C#N)C2)[nH]1 1390439235 XSLOONCBSCXSER-YMTOWFKASA-N 305.338 -0.429 30 20 DBED COCc1nn(C)cc1C(=O)N1CC(CNC(=O)[C@@H](C)C#N)C1 1409175921 MVCCFAXQFLQHKI-JTQLQIEISA-N 319.365 -0.086 30 20 DBED CC[C@@H](CNC(=O)c1cn(C)c(=O)n1C)NC(=O)[C@H](C)C#N 1409305506 JLRQNOPPNLOOTI-ZJUUUORDSA-N 307.354 -0.492 30 20 DBED CCn1ccc(C(=O)N(C)C[C@@H](O)CNC(=O)[C@H](C)C#N)n1 1413261728 SEAMUZPKWHITFA-MNOVXSKESA-N 307.354 -0.388 30 20 DBED CO[C@H]1CCC[C@@H]1C(=O)NCCn1cc(C#N)c(O)nc1=O 1413311992 ZIGSYCIBZREHSU-QWRGUYRKSA-N 306.322 -0.248 30 20 DBED CNC(=O)[C@@H](O)CNC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1 1413850446 OLWHAWSSNINRFR-KBPBESRZSA-N 316.361 -0.250 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)CCc1ccncc1 1416769245 MXEBBMBATFJQMT-YPMHNXCESA-N 304.350 -0.233 30 20 DBED COC[C@@H](OC)C(=O)N1CC2(CCN(C(=O)[C@H](C)C#N)C2)C1 1428606729 RRYLKKNPAJGOGQ-VXGBXAGGSA-N 309.366 -0.132 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](NC(=O)CCN2CCCC2=O)C1 1429843570 NOZLHCOCTBITKQ-VXGBXAGGSA-N 306.366 -0.124 30 20 DBED CC(C)S(=O)(=O)CC(=O)NCC1(NC(=O)[C@H](C)C#N)CC1 1433903644 NKPBBLBVNAYXBT-SNVBAGLBSA-N 315.395 -0.266 30 20 DBED N#C[C@@H]1CC[C@H](N2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)C1 1434463301 OZBJKUVHOCCWGN-RQJABVFESA-N 313.423 -0.546 30 20 DBED CCn1nc(C(=O)N(C)C[C@@H](C)NC(=O)[C@H](C)C#N)ccc1=O 1451194730 XQZVSTJIBZEJPX-GHMZBOCLSA-N 319.365 0.000 30 20 DBED CCN(CCC#N)C(=O)CN[C@H](C)CNC(=O)c1cn(C)nn1 1491444139 FPJZSIGJBSZZTQ-LLVKDONJSA-N 321.385 -0.715 30 20 DBED C[C@H](C(=O)O)C1CN(C(=O)CCn2cc(C#N)c(O)nc2=O)C1 1573400231 VHRVAJOBWIIDMA-QMMMGPOBSA-N 320.305 -0.610 30 20 DBED N#CC1(C[C@@H](O)CN2CC[C@@H](N3C(=O)O[C@H]4CNC[C@H]43)C2)CC1 1580038334 KORAKAITFUVOBZ-SYQHCUMBSA-N 320.393 -0.092 30 20 DBED N#C[C@@H]1CNCC12CC(C(=O)N1CCC[C@@H](CO)[C@H]1CO)C2 1580041527 BVYJIFIAMNZEHU-FQMXKAEGSA-N 307.394 -0.282 30 20 DBED N#Cc1nc(N2CCCN(CCO)CC2)cnc1-c1nn[nH]n1 1581879806 YEGRNAXZOWXSGI-UHFFFAOYSA-N 315.341 -0.967 30 20 DBED N#Cc1ncc(NC[C@H](CO)[C@@H]2CCOC2)nc1-c1nn[nH]n1 1581883369 XPDSRDJYXOFDEX-RKDXNWHRSA-N 316.325 -0.415 30 20 DBED C#CCNS(=O)(=O)N1CCN([C@@H](CC(C)C)C(=O)O)CC1 1588431459 PNXMDIMMLKGQFN-LBPRGKRZSA-N 317.411 -0.429 30 20 DBED C=CCn1c(N2C[C@@H]3COC[C@]3(C(=O)O)C2)nnc1C1(O)CC1 1588473392 YYPYBVNVSBFJKI-QMTHXVAHSA-N 320.349 -0.017 30 20 DBED O=C(N[C@H]1CCN(O)C1=O)c1c(F)cc(-c2nn[nH]n2)cc1F 1592988616 OIYIPUHGIVLCLX-QMMMGPOBSA-N 324.247 -0.135 30 20 DBED CC[C@@H](C)[C@@H](NC(=O)Cn1c(=O)c(C#N)cn(C)c1=O)C(=O)O 1594908813 KOBAACGGHKAUMO-LDYMZIIASA-N 322.321 -0.966 30 20 DBED O=C(NCC#Cc1ccccc1)C(=O)NC[C@H]1C[C@H]1C(=O)O 1601446874 RURNFAJMJYZAFT-CHWSQXEVSA-N 300.314 -0.009 30 20 DBED C=C(C)C(C)(C)C(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@@H]2C(=O)O)C1 1602744859 PFUMHCLGGXGYAA-MNOVXSKESA-N 324.377 -0.001 30 20 DBED C=CCOC[C@H](NC(=O)[C@@]1(C)CCCS1(=O)=O)C(=O)O 1602910422 YQRZGXJRCVDYCC-JOYOIKCWSA-N 305.352 -0.274 30 20 DBED COCCCN(CCO)c1cnc(C#N)c(-c2nn[nH]n2)n1 1605088404 ZCPOSCWJEKEENK-UHFFFAOYSA-N 304.314 -0.636 30 20 DBED CN(CCCNC(=O)c1cc(C#N)c[nH]1)CCS(C)(=O)=O 1751956309 QFSMBHZMGRBAGZ-UHFFFAOYSA-N 312.395 -0.017 30 20 DBED C#CCCNC[C@H]1CCN(C(=O)CN2CCCS2(=O)=O)C1 1752937211 AFEUHLPMWGEHKA-CYBMUJFWSA-N 313.423 -0.517 30 20 DBED CC(=O)N[C@@H](C)C(=O)N1CCC[C@H](N(C)CC(=O)NCC#N)C1 1752986612 BLCVPPFGXHGLAM-AAEUAGOBSA-N 323.397 -0.926 30 20 DBED CN(CCNC(=O)c1cccc2c1OCC2)CC(=O)NCC#N 1753065440 QIYSJVXCMTXXDR-UHFFFAOYSA-N 316.361 -0.077 30 20 DBED C#CCNC(=O)CN1CC(NC(=O)[C@](C)(C=C)CCOC)C1 1753382303 OIKBBVNOQOGKHE-MRXNPFEDSA-N 307.394 -0.235 30 20 DBED C=CCNC(=O)[C@H](C)N1CC(CNC(=O)[C@@H]2CCC(=O)N2)C1 1753413685 LNJBVCFAKWPSBB-JQWIXIFHSA-N 308.382 -0.996 30 20 DBED C#CCNC(=O)CNCC1(NC(=O)c2[nH]nnc2C)CCCC1 1753506184 NXHZSSRBSNVACB-UHFFFAOYSA-N 318.381 -0.505 30 20 DBED C=CCOCC(=O)N1CC[C@@H]2[C@@H](CCN2CC(=O)NC(N)=O)C1 1753873851 XZHKLMAIUTWIQH-NWDGAFQWSA-N 324.381 -0.693 30 20 DBED C#CCNC(=O)CNC[C@@H](O)CNC(=O)C(C)(C)C(C)(F)F 1753935027 OLZDXNVMRHOWQS-SNVBAGLBSA-N 319.352 -0.516 30 20 DBED C#CCNC(=O)CN(C)C[C@H](C)NC(=O)c1cccc(O)n1 1754305839 QFBUMMIMVUTFPV-NSHDSACASA-N 304.350 -0.413 30 20 DBED CC#CCN(C)C[C@@H](C)NC(=O)CN1CCCCS1(=O)=O 1754320451 UZOGJXGPRJRLIY-CYBMUJFWSA-N 315.439 -0.128 30 20 DBED N#CCNC[C@@H](NC(=O)Cn1nc2n(c1=O)CCCC2)C1CC1 1754457063 GDUCRACXDLVNAY-GFCCVEGCSA-N 318.381 -0.611 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C1CN(Cc2ncnn2CC)C1 1754575663 XMQLOGMWZURYDW-LBPRGKRZSA-N 305.382 -0.021 30 20 DBED C#CCNC(=O)CN1CCC(C)(NC(=O)Cc2cc[nH]n2)CC1 1754625570 ZPIYGROODVIHBY-UHFFFAOYSA-N 317.393 -0.328 30 20 DBED C#CCNC(=O)CN1CC[C@](O)(CNC(=O)C(C)(C)C(C)C)C1 1754750901 AOPPSNNDLUJGNH-KRWDZBQOSA-N 323.437 -0.029 30 20 DBED C[C@H]1CN(C(=O)Cn2cccn2)C[C@@H]1CNCC(=O)NCC#N 1754814188 WCTVCGGQPWBASD-STQMWFEESA-N 318.381 -0.793 30 20 DBED C=CCOCCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CNC(=O)N1 1754868560 OYCQGTCOYXDTSP-MELADBBJSA-N 322.409 -0.064 30 20 DBED C=CCOCC(=O)N1CCOC2(CN(Cc3n[nH]c(C)n3)C2)C1 1755049543 NKGBXDSSPSQSAL-UHFFFAOYSA-N 321.381 -0.271 30 20 DBED Cn1cc(CN[C@]2(CO)CCCN(C(=O)C#CC3CC3)C2)nn1 1755083344 PNMDACCQJWLEEJ-MRXNPFEDSA-N 317.393 -0.328 30 20 DBED C#CCCN(C)C[C@@H]1CCCN1C(=O)CS(=O)(=O)N(C)C 1755201335 RFUNMVXMIWSZDQ-ZDUSSCGKSA-N 315.439 -0.176 30 20 DBED C[C@H](NCC(=O)NCC#N)[C@@H](C)NC(=O)CCc1ccn(C)n1 1755238209 UUEAGTKPCQMJMG-NWDGAFQWSA-N 320.397 -0.525 30 20 DBED C#Cc1ccc(C(=O)N[C@@H](C)[C@@H](C)NCC(=O)NC(N)=O)cn1 1755263591 NRCPBXUJLAWXSX-ZJUUUORDSA-N 317.349 -0.646 30 20 DBED C=CCNC(=O)CN[C@@H](C)[C@@H](C)NC(=O)c1cnc(OC)nc1 1755264415 WVOSWPOFQHCZDE-WDEREUQCSA-N 321.381 -0.116 30 20 DBED C#CCN1CC(CCO)(NC(=O)Cc2c(C)nn(C)c2C)C1 1755335775 VIBBPIRRHYQMQP-UHFFFAOYSA-N 304.394 -0.234 30 20 DBED CO[C@H](C(=O)N[C@@H](C)C1CN(CC(=O)NCC#N)C1)C1CC1 1755373556 KDIFFEWMLNBEDM-HZMBPMFUSA-N 308.382 -0.512 30 20 DBED CCOCC(=O)N[C@@]12CCC[C@@H]1N(CC(=O)NCC#N)CC2 1755696041 WKXKTJVJGIACDG-SWLSCSKDSA-N 308.382 -0.224 30 20 DBED CN(C[C@@H](O)CNCC#N)C(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 1755781610 XARWVXSEOGQRHJ-KGLIPLIRSA-N 322.409 -0.433 30 20 DBED C#CCCNC[C@H](O)CN(C)C(=O)[C@@H]1CCN(C(=O)CC)C1 1755791494 LXLXRIWTTLJXDX-KGLIPLIRSA-N 309.410 -0.323 30 20 DBED C#CCNC(=O)CN1CC=C(CNC(=O)[C@@H]2[C@H]3COC[C@H]32)CC1 1755892028 VKXKJGSXNALICV-FOLVSLTJSA-N 317.389 -0.624 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CN(C)C(=O)c1cc(C)[nH]n1 1756435531 ZCFKPWXCBFTUGK-NSHDSACASA-N 319.365 -0.566 30 20 DBED C=CCCC(=O)NC[C@@H](CO)NC(=O)c1cnn2ccncc12 1756519197 SZKNGYIJOBAZNL-NSHDSACASA-N 317.349 -0.098 30 20 DBED COC[C@H](C)CC(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1757029680 JZZCZHBXOXMXAJ-MRVWCRGKSA-N 308.378 -0.240 30 20 DBED C=CCCOCC(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2cnc[nH]2)C1 1757039232 LECKJKCRCDBOSS-CHWSQXEVSA-N 322.365 -0.767 30 20 DBED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)C1CN(C)C1)CCO2 1785426657 ABNUSEXPDXFZFJ-KRWDZBQOSA-N 319.405 -0.209 30 20 DBED C[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)S 1800988974 DHHFLIOGKZIVKW-MFDAYCCISA-N 302.396 -0.725 30 20 DBED CC(=O)N(C)[C@H](C)C(=O)N1CC2(CCCN2C(=O)CC#N)C1 1842622199 LTDGDOMNXGEYKW-LLVKDONJSA-N 306.366 -0.030 30 20 DBED CN1C(=O)CC[C@H]1C(=O)N1CC2(CCCN2C(=O)CC#N)C1 1842623147 KUZVILKKPFCHBQ-NSHDSACASA-N 304.350 -0.276 30 20 DBED CC(C)NCCC(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1842995331 VZAFILAPJPZCIK-UHFFFAOYSA-N 321.377 -0.334 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN([C@@H](C)C(=O)NC2CC2)CC1 25319537 KAZYDNMJBKQKHN-OLZOCXBDSA-N 308.426 -0.038 30 20 DBED C#CCN1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 45944142 IMOHSDKQCBQGOE-STQMWFEESA-N 301.412 -0.409 30 20 DBED N#C[C@H]1COCCN1C(=O)CNC(=O)COc1ccccc1 267108251 QMSIUWJELIVRTL-LBPRGKRZSA-N 303.318 -0.067 30 20 DBED C#CCOc1ccccc1NC(=O)C(=O)N1CCNC(=O)[C@H]1C 276066987 SBRXDHYQPUPILJ-LLVKDONJSA-N 315.329 -0.016 30 20 DBED C#CCN(CC#N)C(=O)[C@H](C)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 281485370 IBVOTFFXCGCHOG-ZOLYEBIHSA-N 315.329 -0.477 30 20 DBED CNS(=O)(=O)N1CCN(C(=O)c2cccc(CC#N)c2)CC1 283041025 ZJFUWFQBXXXRBW-UHFFFAOYSA-N 322.390 -0.025 30 20 DBED CCS(=O)(=O)N1CC(C/N=C(/O)N2CC[C@@](C)(O)C2)C1 330053842 RAKWWLVVNXJNGN-GFCCVEGCSA-N 305.400 -0.361 30 20 DBED CCS(=O)(=O)N1CC(C/N=C(/O)N2CC[C@](C)(O)C2)C1 330053843 RAKWWLVVNXJNGN-LBPRGKRZSA-N 305.400 -0.361 30 20 DBED CN(C)C(=O)Cn1cc(/C(O)=N/C[C@@](C)(O)C(F)(F)F)nn1 330530231 SCEVLORPMGHJJT-SNVBAGLBSA-N 323.275 -0.016 30 20 DBED Cc1nc(S(=O)(=O)NCC(=O)NC2(C#N)CCC2)cn1C 331367953 GNEWGOKDZJKMEU-UHFFFAOYSA-N 311.367 -0.431 30 20 DBED COC(=O)C1(O)CCN(CC(=O)N[C@](C)(C#N)C2CC2)CC1 331818091 OATSSSHAWMQXPF-CQSZACIVSA-N 309.366 -0.205 30 20 DBED CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NCC#N)c1 339926557 RVGCYDZHERKUIZ-UHFFFAOYSA-N 324.362 -0.694 30 20 DBED CCS(=O)(=O)NCCCNS(=O)(=O)CC1(CC#N)CC1 346465788 RMQBANNOXCJWCB-UHFFFAOYSA-N 323.440 -0.071 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 346681953 CDAXOOFEAHGRSU-UHFFFAOYSA-N 301.350 -0.054 30 20 DBED C=CCN(C[C@](C)(O)C(=O)OCC)[C@@H]1CCS(=O)(=O)C1 355073442 GQDYZFLSLRVFAY-YPMHNXCESA-N 305.396 -0.024 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N1CCCS(=O)(=O)CC1 374017558 DEDVVVCCWOAGFR-SNVBAGLBSA-N 303.384 -0.493 30 20 DBED CC(C)[C@H]1C(=O)NCCN1S(=O)(=O)N(C)[C@H](C)CC#N 407975712 RCNWABPHBLVNNU-MNOVXSKESA-N 302.400 -0.078 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C)[C@@H](OC)C2CC2)C1=O 456593515 NARNHOWCNXORJO-BXKDBHETSA-N 323.349 -0.107 30 20 DBED C#CCN(CC#N)S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 490840940 QIZRADKKCDFYDA-UHFFFAOYSA-N 313.360 -0.519 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)CCc2ncc[nH]2)CC1 491038202 HYVCZVKKZUGUEV-UHFFFAOYSA-N 317.393 -0.374 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CCO[C@@H](C)C2)CC1 491095460 LAPMEZMJGJPOOR-KBPBESRZSA-N 307.394 -0.305 30 20 DBED C#CCNC(=O)C1CCN(CN2C[C@@H](C(=O)OC)CC2=O)CC1 491118294 BWGBQAXSRUHBEA-ZDUSSCGKSA-N 321.377 -0.573 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2ccc(C)nc2O)CC1 491380935 BSRWQKGSBONAOI-UHFFFAOYSA-N 316.361 -0.397 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@H](C)c2cnn(C)c2)CC1 491535123 ABTMFPSJZGJODX-CYBMUJFWSA-N 317.393 -0.583 30 20 DBED C#CCN1CCN(C(=O)CN2C[C@H](C)S(=O)[C@@H](C)C2)CC1 491783227 QPZJZECSQMAVFP-KBPBESRZSA-N 311.451 -0.395 30 20 DBED N[C@@H]1C[C@@H]2CN(C(=O)NCC#Cc3ccccc3)CCN2C1=O 568294577 WENYNJXEOBIJQY-HUUCEWRRSA-N 312.373 -0.009 30 20 DBED C[C@@H]1CCN(C(=O)NCCn2cnc(C#N)n2)C[C@@H]1C(=O)O 577488971 LALCJYJPZZVZHB-ZJUUUORDSA-N 306.326 -0.098 30 20 DBED N#Cc1cccc([C@@H]2C[C@H]2C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)c1 580783597 MHBGXOQQPOTFLX-REWJHTLYSA-N 320.370 -0.064 30 20 DBED CC(C)[C@@H](CNS(=O)(=O)N1CCO[C@@H](C#N)C1)C(=O)O 593945664 VYKQAHGSVSKMPX-VHSXEESVSA-N 305.356 -0.598 30 20 DBED CCS(=O)(=O)C1CN(C(=O)NC2CCN(CC#N)CC2)C1 596275076 KMADVWFOQJUSPW-UHFFFAOYSA-N 314.411 -0.197 30 20 DBED C[C@H]1CN(CCNc2c(C#N)c(=O)n(C)c(=O)n2C)[C@@H](C)CO1 596431738 QEOMVGBKEDECOO-QWRGUYRKSA-N 321.381 -0.523 30 20 DBED CN(C)C(=O)CN1CCN(C(=O)Nc2nn(C)cc2C#N)CC1 610901983 CNTXHRQAYREQEV-UHFFFAOYSA-N 319.369 -0.471 30 20 DBED CCN(C[C@@H]1CCOC1)S(=O)(=O)N1CCO[C@@H](C#N)C1 619708658 XKGUHTCEZFCGSS-RYUDHWBXSA-N 303.384 -0.186 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CCS(=O)(=O)[C@H](C(=O)O)C1 643871035 AVYKSTWJKMXIJK-VWYCJHECSA-N 317.363 -0.322 30 20 DBED C=CCn1cc(C(=O)N=c2ccn(CC(=O)N(C)C)[nH]2)nn1 648267710 DTURNERTAQZVIW-UHFFFAOYSA-N 303.326 -0.577 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C)c2ncc[nH]2)C1=O 655401811 HXLHLVDWZAIGTC-MRVPVSSYSA-N 305.294 -0.436 30 20 DBED CN(CC#CCN(C)C[C@@H]1COCCO1)C[C@@H]1COCCO1 661613612 ZMZYRHRMNJQMDB-HZPDHXFCSA-N 312.410 -0.316 30 20 DBED N#CCCN(CCC#N)S(=O)(=O)N1CCC[C@H]1C(=O)O 689191800 UGLRWEUKQDWBLO-JTQLQIEISA-N 300.340 -0.090 30 20 DBED N#CCNC(=O)COC(=O)CCN1C(=O)c2ccccc2C1=O 731232079 DMSUWTZQVQEPNC-UHFFFAOYSA-N 315.285 -0.144 30 20 DBED C#C[C@@H](NC(=O)C(=O)Nc1c(C)ccn(C)c1=O)[C@H]1CCCO1 773784337 FUGCIRYZQRHOOE-VXGBXAGGSA-N 317.345 -0.071 30 20 DBED C#C[C@H](NC(=O)CNS(=O)(=O)CCOCC)[C@H]1CCCO1 775346099 BIUYEUUWNPDNIH-NWDGAFQWSA-N 318.395 -0.761 30 20 DBED C=CCS(=O)(=O)CCNC(=O)c1ccnc(-n2cncn2)c1 783542859 ZAJIQWAJGAQNQH-UHFFFAOYSA-N 321.362 -0.007 30 20 DBED C=CCS(=O)(=O)CCNC(=O)[C@@H]1CCC[C@H](C(N)=O)C1 787255747 BPRVKXPBUOTZPE-WDEREUQCSA-N 302.396 -0.005 30 20 DBED CC(C)(C)OC(=O)NCCOCC(=O)NCC(=O)NCC#N 804819665 DUSRNNWJINFFSI-UHFFFAOYSA-N 314.342 -0.716 30 20 DBED Cn1cnn(CCC(=O)[C@@H](C#N)C(=O)Nc2ccccn2)c1=O 815915209 HILWUASUZZPTDF-SNVBAGLBSA-N 314.305 -0.286 30 20 DBED C#Cc1cccc(CNC(=O)C(=O)NCC(=O)N(C)CC)c1 817837629 BAXUVVVKUBMBOQ-UHFFFAOYSA-N 301.346 -0.121 30 20 DBED N#Cc1ccnc(N2CCN(CC(=O)NCC(=O)O)CC2)c1 821340674 WFDKLZVIRPWBET-UHFFFAOYSA-N 303.322 -0.724 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@@]2(C)CCOC2)CC1 831568749 QOTNNJMXNUALLO-ZDUSSCGKSA-N 315.395 -0.975 30 20 DBED CS(=O)(=O)c1ccccc1CC(=O)N[C@H]1CNC[C@H]1C#N 834499813 NCRBKFURAKNJOM-NEPJUHHUSA-N 307.375 -0.140 30 20 DBED C#C[C@@H]1COCCN1C(=O)C(=O)Nc1cccnc1C(=O)O 850789227 OJURAZMMQKKRSW-SECBINFHSA-N 303.274 -0.421 30 20 DBED C#CCOCCOC(=O)[C@H](C)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 853901544 DRWTWFULEPVKOI-CKIKVBCHSA-N 321.329 -0.270 30 20 DBED C#CCN(C)CCCNC(=O)CNS(=O)(=O)c1cccnc1 854664063 LNORFHPCWJKFCE-UHFFFAOYSA-N 324.406 -0.569 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)NCC1([S@@](C)=O)CC1 875382332 ASFBVWZHLKRMBY-WSVYEEACSA-N 314.407 -0.442 30 20 DBED CC(C)NC(=O)CN(C)CC(=O)Nc1nc(C#N)c(C#N)[nH]1 914532294 DPCYORGXEQTWAU-UHFFFAOYSA-N 303.326 -0.452 30 20 DBED CC(C)NC(=O)[C@@H](C#N)C(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O 916946944 QJFPHORVOCEOBG-ZUZCIYMTSA-N 320.349 -0.060 30 20 DBED C#CCN1CCC[C@H](NC(=O)[C@@]2(OC)CCS(=O)(=O)C2)C1 923595335 IRFABKKJUZFSEL-GXTWGEPZSA-N 314.407 -0.596 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2cn[nH]c2)C1 937712824 KRPUIAGVBAXGQX-KBPBESRZSA-N 315.377 -0.162 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)c3cnn[nH]3)C2)cn1 938371121 RCQHDWWCIZQMAC-LBPRGKRZSA-N 310.317 -0.175 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)Cn3cnnn3)C2)cc1 938396692 HFZYAAUJMRZLII-AWEZNQCLSA-N 324.344 -0.315 30 20 DBED CC(=O)N1CC(C(=O)N2CCCN(C(=O)[C@@H](C)C#N)CC2)C1 940868447 QAUVIFCNZQHBRD-NSHDSACASA-N 306.366 -0.315 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCCN(C(=O)CC(N)=O)C1 943544986 IDOGSDQAQHYNDH-XQQFMLRXSA-N 323.393 -0.050 30 20 DBED CC#CCN1CC[C@H](NC(=O)Cn2c(O)nnc2O)C[C@@H]1C 947981501 WXNPTEYEJGIIHZ-QWRGUYRKSA-N 307.354 -0.318 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCN(Cc2ncnn2C)CC1 948825424 FBKYFAZCIUENGN-AWEZNQCLSA-N 316.409 -0.443 30 20 DBED Cn1nc(C(F)F)cc1C(=O)NC[C@@H]1CN(CC#N)C[C@H]1O 958254418 OXLBLXLRSONLJT-LDYMZIIASA-N 313.308 -0.096 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2nnc3ccccc3n2)C1 958263619 RLSMIMHPYFGRMC-RISCZKNCSA-N 311.345 -0.320 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2c(C)c[nH]c2CC(N)=O)C1 958409265 QDRAQRYOUUCJGU-WCQYABFASA-N 318.377 -0.993 30 20 DBED C=CCCn1cc(C(=O)NC[C@@H]2CN(CCOC)C[C@@H]2O)nn1 958468383 XIEWJQPWSKNTEK-OCCSQVGLSA-N 323.397 -0.477 30 20 DBED Cn1cc(CN2C[C@H]3[C@H](NC(=O)c4ccc(C#N)[nH]4)[C@H]3C2)nn1 958590387 QECFQEYKTGJWAN-IMRBUKKESA-N 311.349 -0.125 30 20 DBED Cc1[nH]nc2ncc(C(=O)NC[C@H]3CN(CC#N)C[C@H]3O)cc12 958672038 INBISBLDYCCYHM-WCQYABFASA-N 314.349 -0.188 30 20 DBED Cc1cc(C(=O)N(C)[C@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)nn1C 958680620 XGERLGDCDSYVRY-ICCXJUOJSA-N 319.365 -0.468 30 20 DBED N#CCN1C[C@H]2C(NC(=O)c3cncc(-n4ccnn4)c3)[C@@H]2C1 961382371 RVSDJDZRHOUIKA-CHWSQXEVSA-N 309.333 -0.154 30 20 DBED N#Cc1c[nH]c(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@@H]3CCOC3)C2)c1 961801557 XYGRETGIJRHPOO-RTXFEEFZSA-N 318.333 -0.776 30 20 DBED C=CCCn1cc(C(=O)N[C@H]2[C@@H]3CN([C@H](C)C(N)=O)C[C@@H]32)nn1 961997326 ACAPMFYGHGCLEX-DCQANWLSSA-N 318.381 -0.612 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CN(C(=O)[C@H]3CN(C)C(=O)N3)C[C@H]2C1 962052215 HCNFCUHTYTVQOX-WISYIIOYSA-N 319.365 -0.914 30 20 DBED C#CCN1C[C@H]2C(NC(=O)c3cccc(-n4cncn4)n3)[C@@H]2C1 962160979 BDEXEAPEEXIGSG-VXGBXAGGSA-N 308.345 -0.045 30 20 DBED C=CC(C)(C)C(=O)N1CCN(C2CN(C(=O)CC(N)=O)C2)CC1 967234316 ARJZUYZCTAJNGL-UHFFFAOYSA-N 322.409 -0.571 30 20 DBED C[C@H]1CCN(CC#N)C[C@H]1NC(=O)CN1C(=O)NC(=O)C1(C)C 968508526 APKJABFDUSKNHH-WDEREUQCSA-N 321.381 -0.333 30 20 DBED Cc1nc(C)c(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)[nH]1 970683157 MCJWNKDMANSVJN-ONOSFVFSSA-N 305.338 -0.512 30 20 DBED CC#CCN1CC([C@H](C)NC(=O)[C@@H]2CN(C(C)=O)CCO2)C1 970826251 QCHLBQQXOZTCBP-WFASDCNBSA-N 307.394 -0.307 30 20 DBED C#CCN1C[C@H]2CC[C@H]1CN2C(=O)c1ccc(-n2cnnn2)cn1 971640958 SYVGFZVJMYMIRJ-UONOGXRCSA-N 323.360 -0.021 30 20 DBED C#CCCN1CCO[C@]2(CCN(C(=O)[C@H]3CCC(=O)N3)C2)C1 972302482 UVQZCROGDYUKHM-CZUORRHYSA-N 305.378 -0.408 30 20 DBED C=CCn1cccc1C(=O)N1C[C@H]2CCN(C(=O)C(N)=O)C[C@H]21 972731869 LHCPDDFCOIJWKM-DGCLKSJQSA-N 316.361 -0.168 30 20 DBED C#CCN1C[C@H](NC(=O)[C@H](C)N2C(=O)CCC2=O)C(C)(C)C1 974637637 ZWMNGHYFYBMWPP-RYUDHWBXSA-N 305.378 -0.016 30 20 DBED Cc1nc2n(n1)C[C@@H](C(=O)NC[C@H]1[C@@H]3CN(CC#N)C[C@H]13)CC2 978530076 ONTXFAMWXKXFBO-XDQVBPFNSA-N 314.393 -0.034 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CC[C@@H]3CN(C(=O)C(N)=O)C[C@@H]32)c1 979925848 DNMPAFCKDAOGGX-OUAUKWLOSA-N 315.333 -0.662 30 20 DBED CN(C(=O)c1c[nH]c(C#N)c1)[C@H]1CCCN(C(=O)CC(N)=O)C1 983997329 JUGIAFCFABYPBJ-LBPRGKRZSA-N 317.349 -0.175 30 20 DBED C[C@@]12CN(C(=O)C(N)=O)C[C@@H]1CN(C(=O)c1ccc(C#N)[nH]1)C2 992810578 WQBPLQBQOBJJLA-BJOHPYRUSA-N 315.333 -0.708 30 20 DBED C#Cc1ccc(C(=O)NCc2cn(C3CN(C(C)=O)C3)nn2)nc1 994713860 ZQGXNZRULVFLFX-UHFFFAOYSA-N 324.344 -0.012 30 20 DBED O=C(C[C@@H]1CCS(=O)(=O)C1)NC1CN(C(=O)C#CC2CC2)C1 995063596 RGCCERWYQCMXHA-LBPRGKRZSA-N 324.402 -0.448 30 20 DBED C=CCN[C@@H]1CCCN(C(=O)Cn2ccc(=O)n(C)c2=O)C1 999307101 MIHQPTGBJWFPSP-GFCCVEGCSA-N 306.366 -0.686 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)c2ncn(C)n2)C1 1000010363 XYNHWSULCLFMOB-MNOVXSKESA-N 305.338 -0.653 30 20 DBED CC(=O)N1CCOC[C@H]1C(=O)NCC1CCN(CC#N)CC1 1002138312 LERKFVAIAAPLHV-AWEZNQCLSA-N 308.382 -0.415 30 20 DBED C[C@H](c1nnnn1C)N1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 1010692653 WKYNHIBXJZWHBD-MWLCHTKSSA-N 314.353 -0.025 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C(=O)[C@@H](C)S(C)(=O)=O)CC1 1011412708 VGLOTAJGFDZWQJ-VHSXEESVSA-N 301.368 -0.750 30 20 DBED C#Cc1ccc(C(=O)N2CCC[C@H](NC(=O)C(N)=O)[C@@H]2C)nc1 1015184602 OSAKDTOLXACUKL-JQWIXIFHSA-N 314.345 -0.343 30 20 DBED Cn1cnn(CCC(=O)N2[C@H]3CC[C@H]2CN(CC#N)C3)c1=O 1017766135 UBCJYSLEIAXNHG-RYUDHWBXSA-N 304.354 -0.829 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(CN(C(=O)Cn3cnnc3O)C2)C1 1018957476 PMXBFXYVHWMBLE-JTQLQIEISA-N 318.337 -0.796 30 20 DBED Cn1nnc(C(=O)N2CC3(CCN(C(=O)C#CC4CC4)C3)C2)n1 1019295346 CFSWYPDONJSYFO-UHFFFAOYSA-N 314.349 -0.702 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)c3cnsn3)C2)C1=O 1030134706 OMFSKQOESBGUCS-LLVKDONJSA-N 307.379 -0.261 30 20 DBED N#Cc1cc(C(=O)NCC2CN(Cc3nc(O)n[nH]3)C2)c[nH]1 1031623150 VHBAATOHSXIAJS-UHFFFAOYSA-N 301.310 -0.428 30 20 DBED C#CCCN1CC[C@H](N(C)C(=O)CN2CCCS2(=O)=O)C1 1033131371 MCKKCMCGWKFOJQ-ZDUSSCGKSA-N 313.423 -0.422 30 20 DBED C#CCCN1CC[C@@H](N(C)C(=O)c2cc(=O)n3[nH]cnc3n2)C1 1033582543 OCEKUMVKWPDLSE-LLVKDONJSA-N 314.349 -0.413 30 20 DBED C=C(Cl)CN1CC[C@H](N(C)C(=O)[C@@H]2CCS(=O)(=O)N2)C1 1033671964 RQRMGWMRPWLXJB-QWRGUYRKSA-N 321.830 -0.037 30 20 DBED CCCN1C[C@@H](C(=O)NC[C@H]2CN(CC#N)CCO2)CC1=O 1035523459 SZCDMNPIUQTTMH-STQMWFEESA-N 308.382 -0.415 30 20 DBED C=CCN1CCO[C@@H](CNC(=O)c2cn(C)c(=O)nc2O)C1 1035602979 QBSQFQDPMFRHFS-JTQLQIEISA-N 308.338 -0.898 30 20 DBED C=CCN[C@H]1CCN(C(=O)CN2CCN(C)C(=O)C2)C[C@H]1C 1036083594 YYUYCOQRSZSCFQ-KGLIPLIRSA-N 308.426 -0.227 30 20 DBED C[C@@H]1CN(C(=O)CN2CCC(=O)NC2=O)CC[C@H]1NCC#N 1036263123 LUVIPSQTSSXCQQ-GHMZBOCLSA-N 307.354 -0.722 30 20 DBED C=CCCCC(=O)N1CC[C@](O)(CNC(=O)Cn2ncnn2)C1 1039800316 ITJXGVPBGLZTIS-AWEZNQCLSA-N 322.369 -0.891 30 20 DBED CN(C[C@H]1CCCCN1C(=O)C(N)=O)c1cnc(C#N)cn1 1039977496 WOFHRCAAHJQTHV-LLVKDONJSA-N 302.338 -0.349 30 20 DBED C=C(C)CCC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2CCC(=O)N2)C1 1040440491 PTAQQHGXXQZKGO-LRDDRELGSA-N 323.393 -0.299 30 20 DBED O=C(Cc1cnoc1)NC[C@@]1(O)CCN(C(=O)C#CC2CC2)C1 1040641569 JABGABALWTVJLF-INIZCTEOSA-N 317.345 -0.290 30 20 DBED C[C@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)C2(N(C)C)CCC2)C1 1040759354 HUWFWHNGQVRNDD-IUODEOHRSA-N 322.409 -0.290 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCCO3)C2)nn1 1040898419 LBHXWRVKDLHJBN-UTUOFQBUSA-N 303.322 -0.807 30 20 DBED Cc1[nH]ccc1C(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1O 1040954977 FZWYXFISQCUVGI-CHWSQXEVSA-N 312.333 -0.036 30 20 DBED Cn1cnc(C(=O)N[C@@H]2CN(c3cnc(C#N)cn3)C[C@H]2O)c1 1040988129 VCGWSXHGSROLRT-ZYHUDNBSSA-N 313.321 -0.939 30 20 DBED CC(C)(F)C(=O)NCC1(O)CN(C(=O)c2ccc(C#N)[nH]2)C1 1041125251 JBBHGRAQLZLGAH-UHFFFAOYSA-N 308.313 -0.062 30 20 DBED N#Cc1nccnc1N1C[C@@H](O)[C@H](NC(=O)c2cccnn2)C1 1041139601 SQVGSODODIJSOG-VXGBXAGGSA-N 311.305 -0.882 30 20 DBED N#CCN1CC[C@@H]2CCN(C(=O)Cn3ccc(O)nc3=O)C[C@H]21 1042142193 KCNCFPJFQGQNJH-VXGBXAGGSA-N 317.349 -0.605 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)/C(C)=C/C)C1 1042449378 CKNVDIKNXJAHJX-GUVYXZIWSA-N 319.405 -0.260 30 20 DBED COC(=O)[C@@H]1C[C@@H]1C(=O)N1CC(O)(CNC(=O)C#CC(C)C)C1 1042936318 DQNMXQJVBDYWGC-NWDGAFQWSA-N 322.361 -0.856 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)[C@@H](C)c2ccnn2C)C1 1043252866 CDXZOKQVGUGBAW-QWRGUYRKSA-N 319.365 -0.627 30 20 DBED Cn1cncc1C(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1043749303 FZYQTNXEGUWDBA-UHFFFAOYSA-N 302.334 -0.863 30 20 DBED CC#CCN1CC(N(C)C(=O)[C@H]2CCc3nnnn3CC2)C1 1043935347 DBVVXQIWKWZOPO-LBPRGKRZSA-N 302.382 -0.209 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)C[C@H]2CCN(C)C2)C1 1044000382 GUXNAJYZPSCULH-NWDGAFQWSA-N 308.382 -0.823 30 20 DBED CC(=O)N(C)CCCC(=O)N1CC(O)(CNC(=O)[C@H](C)C#N)C1 1045545973 GALJRBPITXZFMV-LLVKDONJSA-N 324.381 -0.906 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@@]23CCOC3)C1 1046583849 IMNOYLHSFNIUKD-XJKSGUPXSA-N 320.389 -0.094 30 20 DBED Cc1nc(C)c(C(=O)NCC2(O)CN(C(=O)C#CC3CC3)C2)[nH]1 1046762369 DGKKUUNLBMLSPE-UHFFFAOYSA-N 316.361 -0.257 30 20 DBED CN(C(=O)c1cc2c(cn1)OCCO2)[C@H]1CN(CC#N)C[C@@H]1O 1047412460 QRQCLXUXQCZGRS-RYUDHWBXSA-N 318.333 -0.507 30 20 DBED CN1CCCC[C@@H](C(=O)N(C)[C@H]2CN(CC#N)C[C@@H]2O)C1=O 1047593311 FJDGWHXXBIQBCI-AGIUHOORSA-N 308.382 -0.728 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2ncc[nH]2)C1 1048793943 KLRVYJZXAWCYBN-WOPDTQHZSA-N 320.349 -0.908 30 20 DBED CCN1CC[C@@H](NC[C@H]2CN(C(=O)C#CC3CC3)CCO2)C1=O 1051609439 SPPWRDWDZUWRBI-LSDHHAIUSA-N 319.405 -0.162 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](N2CCN(CCO)CC2)C1 1052090217 YMJIAIAHBUHUDT-XHSDSOJGSA-N 323.437 -0.212 30 20 DBED C=CCCN1CC2(C1)CN(C(=O)[C@@H]1COCCN1C)CCO2 1053226644 HZIWBWAZTZJQHM-AWEZNQCLSA-N 309.410 -0.194 30 20 DBED C#CCCN1CC2(CC[C@H](CNC(=O)[C@H]3COC(=O)N3)O2)C1 1053596172 MCIULTAGJWPWFP-VXGBXAGGSA-N 307.350 -0.532 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)[C@H]3CCN(C)C(=O)C3)CO2)C1 1053849354 IJZNXJRFOHOEDC-UONOGXRCSA-N 319.405 -0.162 30 20 DBED C=C(C)CN1CC2(C[C@H](NC(=O)C[C@@H]3CC(=O)NC3=O)CO2)C1 1054025639 DKRJTPTUMJZZBQ-NEPJUHHUSA-N 321.377 -0.425 30 20 DBED Cc1cc(C#N)nc(N2CCN(C(=O)Cn3nccn3)CC2)n1 1055918418 HBAHOUATGYOASF-UHFFFAOYSA-N 312.337 -0.403 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@](CO)(NC(=O)CCCN(C)C)C1 1056081342 CPHUJAYLQFJMAV-CZUORRHYSA-N 324.425 -0.042 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)c1cnnn1C 1057439280 GKTIXNQZNGRIFO-UHFFFAOYSA-N 307.354 -0.831 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)[C@]1(C)CNC(=O)C1 1058131693 SUPXVMMXPJKBFZ-HNNXBMFYSA-N 311.382 -0.584 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)c1c[nH]nc1C 1058269013 DEEGMYQAGXWAQM-UHFFFAOYSA-N 310.354 -0.529 30 20 DBED Cc1cc(CC(=O)NCCN(CCO)C(=O)[C@H](C)C#N)no1 1058653142 NJGKOIBFHDHOLT-SNVBAGLBSA-N 308.338 -0.378 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1C[C@H](NC(=O)c2c[nH]c(=O)cn2)C1 1059388599 ZXJFOZBKLISBQH-XYPYZODXSA-N 310.317 -0.169 30 20 DBED N#Cc1cnc(N[C@H]2C[C@@H](NC(=O)[C@H]3COCCO3)C2)cn1 1059564040 VDHXSBFNBXSBHA-JFGNBEQYSA-N 303.322 -0.177 30 20 DBED CC(C)C#CC(=O)NCC[C@H]1CCN(C(=O)Cn2ncnn2)C1 1059694703 DGHXRIBFDVHZDQ-ZDUSSCGKSA-N 318.381 -0.313 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H]1CCCN(C(=O)CC(N)=O)C1 1060008494 AESVBQLSDFZCHH-NSHDSACASA-N 301.350 -0.099 30 20 DBED N#Cc1ccc(N[C@@H]2CC[C@@H]3CN(C(=O)CC(N)=O)C[C@@H]32)nn1 1060522519 ADAAYIFHRAIZRU-ADEWGFFLSA-N 314.349 -0.127 30 20 DBED C=CCCC(=O)NC[C@@H]1COCCN1C(=O)[C@H]1CCCNC1=O 1061409979 IAHIKNQGWGVSCD-OLZOCXBDSA-N 323.393 -0.178 30 20 DBED C=CCO[C@H](C)C(=O)NC[C@@H]1COCCN1C(=O)c1cnon1 1061668180 MROCDWSXWLSEOL-GHMZBOCLSA-N 324.337 -0.382 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)Cc1cc[nH]n1 1061846633 PJNSIRMPNOBXIQ-PWSUYJOCSA-N 305.338 -0.545 30 20 DBED C#CCNC(=O)CC(=O)NCC1(NC(=O)c2cnco2)CCC1 1062829854 CNFYTNRRZRJMCO-UHFFFAOYSA-N 318.333 -0.417 30 20 DBED CC#CCCCC(=O)NC[C@H]1CN(C(=O)CNC(C)=O)CCO1 1064783594 GFIADKICLFLQAB-AWEZNQCLSA-N 323.393 -0.340 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@H]1CN(C(=O)COCC)CCO1 1064808971 VKZVEENVVYUJDQ-IUODEOHRSA-N 314.382 -0.306 30 20 DBED N#Cc1nccnc1NC[C@@H]1CCCN1C(=O)[C@H]1CNC(=O)N1 1064998376 XJDFWIPWQMSONL-GXSJLCMTSA-N 315.337 -0.567 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CN(C(=O)c2cncnc2)CCO1 1065072603 FDVQJEHENCSJCB-CMPLNLGQSA-N 303.322 -0.407 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)C(C)(C)C(N)=O)CCO1 1065263746 XSTCUNXQXCUEHJ-GFCCVEGCSA-N 323.393 -0.355 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2C)CCO1 1065496787 MMINEELVYAPBKI-CHWSQXEVSA-N 323.393 -0.083 30 20 DBED CCNC(=O)CC(=O)NC[C@@H]1CN(C(=O)[C@H](C)C#N)CCO1 1065557737 UUKUEQAJBGQUMP-GHMZBOCLSA-N 310.354 -0.984 30 20 DBED N#Cc1nc(=NCC[C@@H]2CCN(C(=O)c3nc[nH]n3)C2)cc[nH]1 1066334014 DGPUHXLTMNMHAX-SNVBAGLBSA-N 312.337 -0.147 30 20 DBED C[C@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1Nc1ccc(C#N)nc1 1067042636 UMFIRWFYXRRZDN-GWCFXTLKSA-N 312.337 -0.101 30 20 DBED CC1(C)CN(c2nccnc2C#N)CC[C@@H]1NC(=O)C(N)=O 1067336396 KUHKADPGPFCUOZ-JTQLQIEISA-N 302.338 -0.445 30 20 DBED N#Cc1cnccc1N1C[C@@H](O)[C@H](CNC(=O)c2nc[nH]n2)C1 1067676067 LVDFXNICYBHVIH-ZYHUDNBSSA-N 313.321 -0.702 30 20 DBED N#Cc1cccnc1NCC1CC(NC(=O)Cn2ncnn2)C1 1067866652 RBRAKVUDLZMAOV-UHFFFAOYSA-N 312.337 -0.053 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1COC2(C1)CN(C(=O)COC)C2 1068867978 HBIBZROAEGDXIS-NEPJUHHUSA-N 310.350 -0.843 30 20 DBED C[C@@H]1[C@@H](Nc2cnc(C#N)cn2)CCN1C(=O)Cn1ncnn1 1068901928 UCQLBWCXZNAZML-KOLCDFICSA-N 313.325 -0.564 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1COC2(C1)CN(C(=O)CSCC#N)C2 1069004124 TWJUCNOYJZJJMM-QWRGUYRKSA-N 322.390 -0.111 30 20 DBED C[C@H](C#N)C(=O)N1Cc2ccccc2C[C@H]1CNC(=O)C(N)=O 1069684379 NYTIJTVJXXPGII-MFKMUULPSA-N 314.345 -0.299 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2nccnc2N)C1 1069904190 MKYCENDPZPAHHA-MNOVXSKESA-N 314.353 -0.508 30 20 DBED Cc1ncc(CC(=O)N2C[C@H](n3ccnn3)[C@H](NCC#N)C2)o1 1070207711 KLXLERZVXJADCN-OLZOCXBDSA-N 315.337 -0.318 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)CCCC(N)=O)CCOCC1 1070234207 PKUNAPMKHHWARL-LLVKDONJSA-N 324.381 -0.417 30 20 DBED C=CCOCC(=O)N[C@@H]1CCCN(C(=O)c2cc(=O)n(C)o2)C1 1070662212 MHHTUDILVVNGDW-LLVKDONJSA-N 323.349 -0.098 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)c2cnnn2C)CC1 1070959716 DNUWTPOLFAXNNE-UHFFFAOYSA-N 306.370 -0.735 30 20 DBED C#CCN1CCN([C@H]2CCCN(C(=O)c3nc[nH]n3)C2)C(=O)C1 1071275489 IDQKCAHDQGLVIS-LBPRGKRZSA-N 316.365 -0.813 30 20 DBED C#CCOCCC(=O)N1C[C@H](C)[C@@H](NC(=O)CC(=O)NCC)C1 1072096754 DHHJYYXTMKNHEE-STQMWFEESA-N 323.393 -0.484 30 20 DBED C#CCOCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)CCNC(N)=O)C1 1072097463 NBMKPVWCIBNPDC-NEPJUHHUSA-N 324.381 -0.952 30 20 DBED C=CCCC(=O)N[C@H]1CN(C(=O)CCn2cnnn2)C[C@H]1C 1072599563 KZZQEEOQWGUHCT-NEPJUHHUSA-N 306.370 -0.008 30 20 DBED C#CCCN1CCO[C@@H]2CCN(C(=O)c3cnn(C)c3N)C[C@H]21 1074222138 CFWIPOHLRQVLKH-ZIAGYGMSSA-N 317.393 -0.059 30 20 DBED C=CCN1CCO[C@H]2CCN(C(=O)CN3C(=O)CCC3=O)C[C@@H]21 1074403522 XLTQJRWAPZHPQQ-STQMWFEESA-N 321.377 -0.377 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN([C@@H]3CCCNC3=O)C[C@H]2O)C1 1077641915 NSAXLYJAISVMLV-JHJVBQTASA-N 307.394 -0.217 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)Cn2ccc(C)cc2=O)C1 1077759274 OGKDEBYXYQJCDU-ZIAGYGMSSA-N 303.362 -0.659 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3nn[nH]c3C2)C1 1077999528 OMUGFIXUXXSWPZ-LERXQTSPSA-N 303.366 -0.906 30 20 DBED C[C@@H](CCNC(=O)CN1CCC(=O)NC1=O)NC(=O)[C@@H](C)C#N 1078415395 ZNLHGDNGWXDIQK-UWVGGRQHSA-N 323.353 -0.901 30 20 DBED CC(C)(C)C#CC(=O)N1CCC(CO)(NC(=O)CC(N)=O)CC1 1080786828 BTSZKWNXLLSRQB-UHFFFAOYSA-N 323.393 -0.619 30 20 DBED C#CCCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cnccn2)C1 1081205085 OTCVIEADQNMXAK-GXTWGEPZSA-N 316.361 -0.171 30 20 DBED C=CCCOCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cn[nH]c2)C1 1081295766 VADODRWDDKLDAK-QWHCGFSZSA-N 322.365 -0.449 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2cc(C)[nH]n2)C1 1081307305 IHDGJBRIMNDFAU-DGCLKSJQSA-N 322.365 -0.530 30 20 DBED C#CCCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cccnn2)C1 1081686841 BDSOBCFZMSYRKV-GXTWGEPZSA-N 316.361 -0.171 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1ccc2nnn(C)c2c1 1082346365 DXWIZXZWOCUJLM-TZMCWYRMSA-N 314.349 -0.079 30 20 DBED C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1N[C@H]1CCNC1=O 1082464873 OFBSOUSCGSJNFF-SUZMYJTESA-N 301.350 -0.175 30 20 DBED C#Cc1ccc(C(=O)N2CCO[C@@H]3CN(C[C@@H](C)O)C[C@@H]32)nc1 1083251967 QQIAWKJBDKRFQM-UHOFOFEASA-N 315.373 -0.031 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CN(C(C)C)CCO2)C1 1083723446 KOVPTCUGWKNEFJ-ILXRZTDVSA-N 309.410 -0.720 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@H]2Cc3cc(F)ccc3O2)C1 1083826697 GJWLDPKIMLUUKS-VNHYZAJKSA-N 304.321 -0.076 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)C(=O)N2CCC(C)CC2)C1 1083838253 MFHKXMXXZJPRRU-KGLIPLIRSA-N 307.394 -0.571 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)c2cn([C@H]3CCOC3)nn2)C1 1083929824 NLRFACVQJTXHIJ-SCRDCRAPSA-N 321.381 -0.410 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)Cc2csc3nccn23)C1 1084062462 RHCGUSDFHPOTBK-NEPJUHHUSA-N 304.375 -0.267 30 20 DBED C#CCN1CCC(C(=O)N[C@@H]2CN(CC3CC3)C[C@@H]2O)CC1 1084089935 BDVAHSHAFHTKQJ-CVEARBPZSA-N 305.422 -0.097 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@@H]2CCN(C)C2)C[C@H]1c1cnn(C)c1 1087009761 XFUQINQMKLZXGV-VNQPRFMTSA-N 315.421 -0.111 30 20 DBED C#CCN1CC[C@H](NC(=O)CN2CCCS2(=O)=O)[C@H]1CC 1087593616 NHMJETXNBKQVGJ-QWHCGFSZSA-N 313.423 -0.376 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2cn(C)c(C)cc2=O)[C@H](O)C1 1090341969 MPVPWZSSNPCFBX-GDBMZVCRSA-N 317.389 -0.118 30 20 DBED Cn1nnc2cc(C(=O)N[C@@H]3CCN(CC#N)C[C@@H]3O)ccc21 1090358365 ADZXJNYMBTUKIC-RISCZKNCSA-N 314.349 -0.343 30 20 DBED COc1c[nH]c(C(=O)N[C@@H]2CCN(CC#N)C[C@@H]2O)cc1=O 1090432672 MBAXVKHUHMBDJR-SKDRFNHKSA-N 306.322 -0.928 30 20 DBED C#CCCN1CC[C@@H](NC(=O)Cn2ccc(C)cc2=O)[C@H](O)C1 1090608477 DZMXBTDLULHTNX-HUUCEWRRSA-N 317.389 -0.269 30 20 DBED CC(C)(C(=O)N[C@@H]1CCN(CC#N)C[C@@H]1O)N1CCOCC1 1090640118 GYQYKSJICKWAJO-OLZOCXBDSA-N 310.398 -0.828 30 20 DBED C#CCN1CC[C@H](NC(=O)c2c(OC)ncnc2OC)[C@H](O)C1 1090843515 JODPCWPOINTGHT-WDEREUQCSA-N 320.349 -0.708 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(c2cnc(F)cn2)C[C@H]1OC 1090921863 UZHUGQVBUUBKCB-VXGBXAGGSA-N 322.340 -0.025 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(c2ncncc2Cl)C[C@@H]1O 1091152870 KTJARFSJZXQJOO-WCQGTBRESA-N 324.768 -0.166 30 20 DBED CCC[C@@H](OC)C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1091166586 VKUPREMNBFHTQY-FRRDWIJNSA-N 319.365 -0.171 30 20 DBED CC1(C)CC[C@@H](CNC(=O)C(N)=O)N(c2ccnc(C#N)n2)C1 1092122636 ZODQVPXXBRIDEW-JTQLQIEISA-N 316.365 -0.055 30 20 DBED CCNC(=O)CC(=O)NCC1CC(N=c2cc[nH]c(C#N)n2)C1 1092211284 RYGVTDRFURVJRR-UHFFFAOYSA-N 316.365 -0.397 30 20 DBED N#Cc1nccnc1N1C[C@H]2[C@H](NC(=O)C3(C(N)=O)CC3)[C@H]2C1 1093356583 OZCWLQKVYMYBKQ-JZYVYDRUSA-N 312.333 -0.835 30 20 DBED N#Cc1c[nH]ccc1=NCCNC(=O)[C@@H]1CCc2nn[nH]c2C1 1093761025 NJMHNQJYYCLVAZ-SNVBAGLBSA-N 311.349 -0.174 30 20 DBED N#Cc1ccc(NCCNC(=O)c2coc(C(N)=O)c2)nn1 1094019852 ALYUFUJQTYQIMG-UHFFFAOYSA-N 300.278 -0.118 30 20 DBED CNC(=O)NC(C)(C)C(=O)NCCCNc1cnc(C#N)cn1 1094461713 KINHXRZWPZFBAT-UHFFFAOYSA-N 319.369 -0.026 30 20 DBED N#Cc1cncc(NCCCNC(=O)C2CS(=O)(=O)C2)n1 1094612366 QTZURUHJHPEEQU-UHFFFAOYSA-N 309.351 -0.689 30 20 DBED C[C@H](CC(N)=O)C(=O)N1CC[C@@H](Nc2ccc(C#N)nn2)C1 1095077658 TUXOZMLMZFUEDR-MWLCHTKSSA-N 302.338 -0.127 30 20 DBED CN(CCCNC(=O)[C@H]1CCCNC1=O)c1nccnc1C#N 1095665411 KCIFOJCKZNEUAF-NSHDSACASA-N 316.365 -0.183 30 20 DBED N#Cc1nc(=N[C@@H](CNC(=O)Cn2ccnc2)C2CC2)cc[nH]1 1096683550 NINBNZKUTMFTLM-LBPRGKRZSA-N 311.349 -0.026 30 20 DBED CC(=O)N[C@@H](C)C(=O)N[C@H]1C[C@H](Nc2ccc(C#N)nn2)C1 1096987826 ZYDUPSMZAKTPTF-UWJYBYFXSA-N 302.338 -0.068 30 20 DBED C=C(C)CCN(CCO)C1CCN(C(=O)Cn2ncnn2)CC1 1098367904 SLDMTXIXDLHRQT-UHFFFAOYSA-N 322.413 -0.075 30 20 DBED C[C@@H](C(=O)NC[C@@H](C)N=c1cc[nH]cc1C#N)S(C)(=O)=O 1098393133 QKKPDPITAMTSSV-ZJUUUORDSA-N 310.379 -0.275 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)COCC=C)[C@@H](O)C1 1099741383 SERBTJURRKPMQL-OLZOCXBDSA-N 311.382 -0.957 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)/C=C/C2CC2)[C@H](O)C1 1099769179 OFXJZQXSQYBHSE-BUHQSOCUSA-N 305.378 -0.747 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)CNS(=O)(=O)CC)[C@@H](O)C1 1099860470 CDVWAFXWFLOWJG-RYUDHWBXSA-N 319.427 -0.947 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)C2(CC)CC2)[C@@H](O)C1 1099990125 YIYULTLXLIKMGL-STQMWFEESA-N 307.394 -0.523 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)c2cnn(C)n2)[C@@H](O)C1 1100028717 BWHWOEKFQKMHRU-YPMHNXCESA-N 309.370 -0.817 30 20 DBED CCN(CCNC(=O)Cc1n[nH]c(C)n1)c1ccnc(C#N)n1 1100524321 RPCVGJBADILFAK-UHFFFAOYSA-N 314.353 -0.040 30 20 DBED CC(=O)N(C)CC(=O)NC[C@@H]1CCCN1c1ccc(C#N)nn1 1100789803 OBBFYEIVLAMFEP-ZDUSSCGKSA-N 316.365 -0.088 30 20 DBED COCC#CCNC1CC(CNC(=O)CN2C(=O)CCC2=O)C1 1100964238 RKSYLWBWBVDDBJ-UHFFFAOYSA-N 321.377 -0.730 30 20 DBED C[C@H](NC(N)=O)C(=O)NC[C@H]1CCN(c2cncc(C#N)n2)C1 1100968197 ASRDWKZQBPEOLF-VHSXEESVSA-N 317.353 -0.652 30 20 DBED COCC(=O)N(C)CC(=O)N1C[C@H]2CN(CC#N)C[C@@]2(C)C1 1101257705 IHJAPYLCLZKEMN-DOMZBBRYSA-N 308.382 -0.605 30 20 DBED CC(=O)NCC(=O)N1C[C@@H]2CC[C@H](C1)N2c1cncc(C#N)n1 1102182703 RORIWSKIVAGPFV-BETUJISGSA-N 314.349 -0.336 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNc1ncnc2c1CN(C)CC2 1105771541 NOOHQNANWNLWHV-WDEREUQCSA-N 318.381 -0.487 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)CCc2ncc[nH]2)nn1 1105802474 ABCBKDSWRFIWDL-LLVKDONJSA-N 315.337 -0.407 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@H](O)CNc1nc[nH]c2ncnc1-2 1105806410 WNCXTQPNCVHLSZ-XPTSAGLGSA-N 320.353 -0.479 30 20 DBED C=CCO[C@@H](C)C(=O)NC[C@H](O)CNc1ccc(C#N)nn1 1105892027 OPOZJPSVHZYTGR-CMPLNLGQSA-N 305.338 -0.172 30 20 DBED Cc1nc(NC[C@H](O)CNC(=O)c2cnn(C)n2)ccc1C#N 1105897512 DMLSIYAHRHSLCH-NSHDSACASA-N 315.337 -0.407 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](C)[C@H](CNCC#CCOC)C1 1106035614 VRNKALGEJKYIGN-HUUCEWRRSA-N 319.405 -0.540 30 20 DBED N#Cc1nc(=NC[C@@H](O)CNC(=O)[C@H]2CC23CCC3)cc[nH]1 1106130575 WPOMFZUIDMXTKF-GHMZBOCLSA-N 301.350 -0.151 30 20 DBED C[C@@H]1[C@H](C(=O)NC[C@H](O)CNc2ccc(C#N)nn2)CCN1C 1106153128 QPYRLUUTLSCKGB-RAIGVLPGSA-N 318.381 -0.423 30 20 DBED C=C[C@@](C)(O)CC(=O)NCc1cn(C2CN(CCO)C2)nn1 1107164256 XVVCGPJOMSFIQU-CQSZACIVSA-N 309.370 -0.930 30 20 DBED C=CCN1CC(n2cc(CNC(=O)[C@@H](C)NC(=O)CC)nn2)C1 1107173375 ABDMZRADQPAPEL-LLVKDONJSA-N 320.397 -0.148 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)[C@H]2CCCN2C(C)=O)C1 1108426516 NPSPKCXDYLTFHX-ZBFHGGJFSA-N 307.394 -0.162 30 20 DBED C[C@@H](CN(C)c1cncc(C#N)n1)NC(=O)c1cc(=O)n(C)o1 1108917941 RPCMJZVITYUSIA-VIFPVBQESA-N 316.321 -0.105 30 20 DBED Cc1nc(CC(=O)N[C@H](C)CN(C)c2ccc(C#N)nn2)n[nH]1 1108955249 JVKROUVENPFPAA-SECBINFHSA-N 314.353 -0.042 30 20 DBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CNC(=O)OC 1108985153 AFRTWXCUFMLLJJ-WOPDTQHZSA-N 324.381 -0.634 30 20 DBED C#CCNC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1ncc[nH]1 1109239399 BEPZHWGRPCFSBD-RNJOBUHISA-N 315.377 -0.117 30 20 DBED CC(C)(C(N)=O)C(=O)N[C@@H]1[C@H]2C[C@H]1N(c1cncc(C#N)n1)C2 1109728454 QDRYJPZKWUVYHA-MKPLZMMCSA-N 314.349 -0.447 30 20 DBED CC(=O)NCC(=O)N[C@H](CN=c1cc[nH]c(C#N)n1)C1CC1 1109780984 IMVXDYGVERQLEW-LLVKDONJSA-N 302.338 -0.787 30 20 DBED C=CCOCCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cn1cnnn1 1110267721 ZLJHGKYHUJXARB-UPJWGTAASA-N 306.370 -0.403 30 20 DBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C[C@@H]1CCOC1 1110409326 UMQJICFGGMBZSD-DGAVXFQQSA-N 320.393 -0.226 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H]1CCC(=O)NC1 1110751056 LNONDKJCFMXNPN-YJNKXOJESA-N 319.405 -0.116 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cnon1 1111166557 DHMSQQKNCKZJLR-FOGDFJRCSA-N 303.322 -0.846 30 20 DBED CC(=O)N[C@H](C)C(=O)N(CCO)CCNc1cncc(C#N)n1 1111414084 VGCLOWAEFOJYSG-SNVBAGLBSA-N 320.353 -0.894 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)c2cc(C)on2)CC1 1112604770 PWTJEKBJFLLFFM-LBPRGKRZSA-N 304.350 -0.121 30 20 DBED C#CCOCCC(=O)N[C@H](C)[C@@H](C)Nc1nccn2nnnc12 1113166492 VFQITCFJHLTKRF-GHMZBOCLSA-N 317.353 -0.136 30 20 DBED COC(=O)NCC(=O)NC[C@@H](C)N(C)c1ccc(C#N)nn1 1113512398 IRTXYZBLRMAFOF-SECBINFHSA-N 306.326 -0.355 30 20 DBED CC(=O)NCC(=O)N[C@H]1CN(c2cncc(C#N)n2)CC[C@@H]1C 1113995161 YJPYILWSKPABLM-GWCFXTLKSA-N 316.365 -0.185 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@@H]2CN(Cc3nccn3C)C[C@@H]12 1114158344 UYRZIVATPPAZPU-VXGBXAGGSA-N 315.377 -0.894 30 20 DBED N#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)CCc3ccon3)[C@H]2C1 1114570636 ISZNRCDHSNCGBI-JYAVWHMHSA-N 317.349 -0.707 30 20 DBED C=CCCCN1C[C@H]2C(NC(=O)CN3CCNC(=O)C3)[C@@H]2C1 1114662865 OFUBNOCJECYCIM-CHWSQXEVSA-N 306.410 -0.569 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)[C@H](C)OCCOC)[C@@H]2C1 1114918504 DFPDFCDRHBFQCU-BFHYXJOUSA-N 310.394 -0.266 30 20 DBED C[C@H](CCCNc1ccc(C#N)nn1)NC(=O)Cn1ncnn1 1115012012 DLZFSETXGHKSPB-SNVBAGLBSA-N 315.341 -0.268 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)c3c[nH]c(C)cc3=O)[C@H]2C1 1115065104 IQNPJENBOVGHCT-FOLVSLTJSA-N 315.373 -0.007 30 20 DBED N#Cc1c[nH]ccc1=NCCCOCCNC(=O)c1nc[nH]n1 1115417456 KQEYIGJJFWOGQL-UHFFFAOYSA-N 315.337 -0.258 30 20 DBED C[C@@H](CN(C)C(=O)[C@H]1COC(=O)N1)N=c1cc[nH]cc1C#N 1115702966 PLDIGBORLGHSRW-JOYOIKCWSA-N 303.322 -0.258 30 20 DBED Cc1cc(C#N)nc(N[C@@H](CO)CNC(=O)c2cnn(C)c2)n1 1121023336 FDERDPYIIOBDPC-GFCCVEGCSA-N 315.337 -0.407 30 20 DBED Cc1cc(C#N)nc(N[C@H](CO)CNC(=O)[C@@H]2CCCN2C)n1 1121239434 BLIKQHUAJPGMPU-STQMWFEESA-N 318.381 -0.360 30 20 DBED N#Cc1cnc(N[C@H](CO)CNC(=O)CCc2ncc[nH]2)cn1 1121496066 FFEGZTMBZZEELE-NSHDSACASA-N 315.337 -0.407 30 20 DBED N#Cc1cnc(N[C@H](CO)CNC(=O)Cn2cncn2)c(F)c1 1121536011 KJPFFCQSVOXALG-JTQLQIEISA-N 319.300 -0.727 30 20 DBED C#CCN1CCN(c2nnc([C@@](C)(O)COC)n2CC)CC1 1121842614 OBBLSRDOTOCKPN-HNNXBMFYSA-N 307.398 -0.093 30 20 DBED Cc1nc(N[C@H](CO)CNC(=O)c2cnon2)ccc1C#N 1121883234 YRKPZCSLYPBVBW-JTQLQIEISA-N 302.294 -0.153 30 20 DBED Cc1ccn(CC(=O)NC[C@H](CO)Nc2ccc(C#N)nn2)n1 1122593465 NZKJFIDKADMGPC-GFCCVEGCSA-N 315.337 -0.558 30 20 DBED N#Cc1nc(=NC[C@H]2CC[C@H](NC(=O)CNC(N)=O)C2)cc[nH]1 1123719449 OZSRCNZGWPKUPM-UWVGGRQHSA-N 317.353 -0.865 30 20 DBED CC(C)C#CC(=O)N(C)C[C@@H](O)CN=c1cc[nH]c(C#N)n1 1124278757 NXAXDTYYFGYPMY-LBPRGKRZSA-N 301.350 -0.339 30 20 DBED Cc1nn[nH]c1C(=O)N(C)C[C@H](O)CN=c1cc[nH]cc1C#N 1124633148 DNODGLBMRMVVFS-LLVKDONJSA-N 315.337 -0.653 30 20 DBED C=CCCC(=O)NCCNCCNS(=O)(=O)CCCOC 1124645996 DLFKNMGUUGAMLZ-UHFFFAOYSA-N 321.443 -0.386 30 20 DBED CCOCC(=O)NCCN(CCOC)c1nccnc1C#N 1126186618 FRYXGWVYQMMBPR-UHFFFAOYSA-N 307.354 -0.046 30 20 DBED C[C@H](NC(=O)C(N)=O)C1CCN(c2ccnc(C#N)n2)CC1 1126767628 NUQKTHVFSATVOD-VIFPVBQESA-N 302.338 -0.445 30 20 DBED CCC(=O)N[C@H](C)C(=O)NCc1cnn2c1CN(CC#N)CC2 1128363349 XUDNJXVZSOKDKA-LLVKDONJSA-N 318.381 -0.247 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)CNC(=O)C4CC4)C[C@@]3(C1)O2 1131184677 UKHPDIDHRPICGL-JJRVBVJISA-N 317.389 -0.553 30 20 DBED C=C(C)CN1C[C@H]2C[C@H]3CN(C(=O)[C@H](C)NC(N)=O)C[C@@]3(C1)O2 1131217547 PBNRUPUDBQCSRD-BCUIYNNISA-N 322.409 -0.079 30 20 DBED C#CCN1CC[C@@]2(C1)CN(C(=O)CNC(=O)OC)C[C@@H](C)O2 1131637856 CSMLCEWVGIGIMS-IUODEOHRSA-N 309.366 -0.333 30 20 DBED C=CCN1CCN([C@H]2CCCN(C(=O)CC(=O)NC)C2)C(=O)C1 1131712291 QVZPXULBMURFHR-ZDUSSCGKSA-N 322.409 -0.556 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@H](C)OCc1ccncc1 1134025044 LTABKMPKUSATDC-ZDUSSCGKSA-N 320.393 -0.005 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)c1ccc(S(N)(=O)=O)o1)NCC#N 1134857833 KJEBJMSLFGDRAA-DTWKUNHWSA-N 314.367 -0.063 30 20 DBED C=CCNC(=O)CNCCNC(=O)C(=O)N1CCC[C@H](C)C1 1134874806 KIUGXFXSRVWDLS-LBPRGKRZSA-N 310.398 -0.747 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CN(CCn2cncn2)CCCO1 1149416590 UOEBJMQMYNCULL-CHWSQXEVSA-N 306.370 -0.355 30 20 DBED N#CCNC(=O)CN1CCCO[C@H](CNC(=O)[C@H]2CC23CC3)C1 1150363189 KDQUXXAUWQCCPF-CHWSQXEVSA-N 320.393 -0.367 30 20 DBED C#CCNC(=O)CNCCNC(=O)COc1cccc(C)c1 1150886480 KYJLVCWZFJIBOS-UHFFFAOYSA-N 303.362 -0.171 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)[C@H]1CCC(=O)N(C)C1 1152511313 ZLGXIKCKOPWHNM-RYUDHWBXSA-N 310.398 -0.749 30 20 DBED C=CCN1CC[C@@H](N(CC)[C@H](C)CNC(=O)CC(=O)NC)C1=O 1152926321 QASQKGMGFWWRBN-CHWSQXEVSA-N 324.425 -0.264 30 20 DBED C=CCNC(=O)CN(CC)[C@H](C)CNC(=O)[C@H]1CCCNC1=O 1153910187 ILZVOQCJABFPBE-OLZOCXBDSA-N 324.425 -0.359 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)Cc2cncnc2)C1=O 1157227348 YKTLDRIAXBTNDJ-CQSZACIVSA-N 317.393 -0.098 30 20 DBED COCC#CCN1CC=C(CCNC(=O)CNC(C)=O)CC1 1159089909 YZOBMMNZIKQJJK-UHFFFAOYSA-N 307.394 -0.089 30 20 DBED CCc1cnc(CC(=O)NCCCNCC(=O)NCC#N)[nH]1 1160243068 RDKNDWNPRUTADL-UHFFFAOYSA-N 306.370 -0.750 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)c1cc(OCC)n[nH]1 1160717494 KKKSDRFOCYNNLX-NSHDSACASA-N 321.381 -0.344 30 20 DBED C#CCNC(=O)CNCC1(CCNC(=O)[C@@H](C)NC(C)=O)CC1 1163286095 PAEHYXLGYICKAV-GFCCVEGCSA-N 322.409 -0.864 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)c1csc(O)n1 1164331292 GGGFRONUQWCRSW-SECBINFHSA-N 310.379 -0.304 30 20 DBED N#Cc1cccc(CNCCCNC(=O)[C@H]2CNC(=O)N2)c1 1165467744 PFACPNWWTHOFAP-CYBMUJFWSA-N 301.350 -0.164 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)CN1CCC(C)CC1 1169134388 KMHCSVIHPUBRAS-OAHLLOKOSA-N 322.453 -0.048 30 20 DBED C[C@@H](CCCCNCC(=O)NCC#N)NC(=O)c1ccn(C)n1 1176564335 OERGXPGMWHDXPT-LBPRGKRZSA-N 320.397 -0.062 30 20 DBED C[C@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)[C@H]1CC1(F)F 1178632256 LMEVGRUKFRPNCU-AEJSXWLSSA-N 300.309 -0.140 30 20 DBED CCC[C@@H](C(=O)N1CC[C@H]2CN(CC#N)C[C@H]21)S(N)(=O)=O 1188663919 DUVRAVKFPQVNPA-TUAOUCFPSA-N 314.411 -0.500 30 20 DBED C[C@@H](C(=O)N[C@@H]1CN(CC#N)C[C@H]1O)N(C)CC(F)(F)F 1195580255 AFFLWZHMQMWZHA-IVZWLZJFSA-N 308.304 -0.446 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)CCC(=O)NC2CCCC2)C1 1197155833 PTEOLSHEDKDHBW-ZIAGYGMSSA-N 307.394 -0.380 30 20 DBED COCC#CCN1CCCN(C(=O)C[C@@H]2CCC(=O)N2)CC1 1197411705 UWFDKYMWADHWAJ-AWEZNQCLSA-N 307.394 -0.161 30 20 DBED C=CCNC(=O)[C@H](C)NC1CCN(C(=O)[C@H](C)NC(C)=O)CC1 1199225851 UVKMNRTVUGGOFS-RYUDHWBXSA-N 324.425 -0.218 30 20 DBED N#CCNC(=O)CNC1CCN(C(=O)c2cncs2)CC1 1199537883 HUGTVXSKAQTKOA-UHFFFAOYSA-N 307.379 -0.023 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(NCC(=O)NC[C@H]2CCOC2)CC1 1199816230 HMCHPPXWDQXFMB-QWHCGFSZSA-N 322.409 -0.121 30 20 DBED Cn1ccc(C(=O)N2CCC(NCC(=O)NCC#N)CC2)c1 1200057795 VQASRPQWIBPPRY-UHFFFAOYSA-N 303.366 -0.141 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)[C@H](C)C2CC2)CCCO1 1200189997 MKMAOHAHCTXVJS-UKRRQHHQSA-N 321.421 -0.011 30 20 DBED C=CCN1CC[C@H](N[C@@H]2CCCN(C(=O)CNC(N)=O)C2)C1=O 1207265889 DVZAJTGTFVNOFX-NEPJUHHUSA-N 323.397 -0.978 30 20 DBED CCC[C@H](C(=O)N[C@@H]1CN(CC#N)C[C@H]1C)S(N)(=O)=O 1208105156 JJTZDPXCJLVWFO-GMTAPVOTSA-N 302.400 -0.596 30 20 DBED CC[C@@H](C(=O)N1CCC[C@H](NCC(=O)NCC#N)C1)N(C)C 1209670310 YDEJDTDHIREFRD-STQMWFEESA-N 309.414 -0.453 30 20 DBED CO[C@@H]1CN([C@H](C)C(=O)N(C)C)C[C@H]1NC(=O)C#CC(C)C 1212241812 ZGDRLRSEKYFMAN-MGPQQGTHSA-N 309.410 -0.062 30 20 DBED CCC(=O)NCC(=O)N1CCO[C@@H]2CN(CC#CCOC)C[C@@H]21 1217555146 RGCXSVPVLJABCO-UONOGXRCSA-N 323.393 -0.926 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2cccc(C)n2)C1 1219189756 XDPOMBAYSFSJGU-KGLIPLIRSA-N 318.377 -0.533 30 20 DBED N#CCSCC(=O)N[C@@H]1CN(Cc2nncs2)C[C@@H]1O 1219218430 QNBHCAHBPNNMNP-BDAKNGLRSA-N 313.408 -0.544 30 20 DBED C=CCNC(=O)NC(=O)CN1C[C@H](O)[C@H](NC(=O)/C(C)=C/C)C1 1219434966 RUKCNPXWHJMLME-SRXIBPRUSA-N 324.381 -0.874 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)Cc2cccnc2)C1 1219465997 UYMXLEHFOQLASO-CABCVRRESA-N 303.362 -0.565 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2cn(C)nc2C)C[C@@H]1O 1219613811 SJIMARNMOAFPPN-CABCVRRESA-N 320.393 -0.570 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2ncc(CC)o2)C[C@@H]1O 1219613831 UDLZLWPOQQCRGL-KGLIPLIRSA-N 321.377 -0.062 30 20 DBED N#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C23CCC(CC2)C3)C1 1219877872 TUYONMPDZSJRDN-WULFKBJJSA-N 320.393 -0.632 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)CCc2ccc(C(N)=O)cc2)C1 1220000853 WDHPGTCCDJZEMW-CABCVRRESA-N 315.373 -0.487 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2C[C@@H]3C[C@@H]3C2)C1 1220194523 VADUICICYNVANO-HTOAHKCRSA-N 307.394 -0.504 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)CC(=O)NCC(F)(F)F)C1 1220652393 XVDKBFZGBNTPNV-ZJUUUORDSA-N 321.299 -0.760 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)C(C)(C)CS(C)(=O)=O)C1 1221132197 WCYIVWSKKZLIPI-NEPJUHHUSA-N 318.439 -0.205 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2cnnn2CC)C[C@@H]1O 1221143609 KBHXSLUBCPHXNG-YUTCNCBUSA-N 323.397 -0.450 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1CCN([C@@H]2CCNC2=O)CC1 1223183478 ZUQDXLRUNDGPLS-GXTWGEPZSA-N 307.394 -0.259 30 20 DBED CC#CCN1CCC(CNC(=O)CNC(=O)CNC(C)=O)CC1 1223638317 ONUQQZCUWMEGEK-UHFFFAOYSA-N 322.409 -0.910 30 20 DBED Cn1cc(C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NCC#N)nn1 1226011432 MLFLVXGPBAFKMP-GHMZBOCLSA-N 319.369 -0.915 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)[C@@H]2CN(C)C[C@H]2C)CC1 1229185471 MNKZNDYCSUTPBU-UKRRQHHQSA-N 320.437 -0.486 30 20 DBED CN(C[C@H]1CCN1CC(=O)NCC#N)C(=O)CC[C@@H]1CCOC1 1233580279 KDITXQIKDYVIDF-ZIAGYGMSSA-N 322.409 -0.024 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)CCCNC(=O)c1cc(C)n(C)n1 1234585679 KYITYUBMILJQTM-CYBMUJFWSA-N 319.409 -0.082 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[C@H]3OCC[C@H]23)CCO1 1261161762 CDLUWMDVVPBYBY-FDYHWXHSSA-N 307.350 -0.189 30 20 DBED C#CC1CCN(C(=O)C(=O)N2C[C@@H](CO)OC(C)(C)C2)CC1 1261486557 AKGKJJYJHWEUGB-ZDUSSCGKSA-N 308.378 -0.144 30 20 DBED CC(C)(O)CN1CCN(C(=O)C(=O)N2CCC[C@@H](C#N)C2)CC1 1262511802 VOLIUCHSEOJTPV-ZDUSSCGKSA-N 322.409 -0.336 30 20 DBED COC[C@@H](O)CN1CCN(CCCNC(=O)C#CC2CC2)CC1 1265243044 CXCORBPTTFWVRY-INIZCTEOSA-N 323.437 -0.469 30 20 DBED C#C[C@H](NC(=O)C(=O)NCC(=O)N1CCCCC1)[C@H]1CCCO1 1322515362 WQBMNQPOSAUMFM-QWHCGFSZSA-N 321.377 -0.588 30 20 DBED C#CCCCCNC(=O)C(=O)NCC(C)(C)NS(C)(=O)=O 1322672826 RYQRQYBRQQUPJQ-UHFFFAOYSA-N 317.411 -0.650 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1 1323307289 LYNDBQFBSZOSFU-VXGBXAGGSA-N 321.381 -0.568 30 20 DBED C#C[C@@H](NC(=O)C(=O)Nc1cnn(CC#N)c1)[C@@H]1CCCO1 1324121341 OINXHCHMZFTLMM-NEPJUHHUSA-N 301.306 -0.358 30 20 DBED C=C(C)COCCNC(=O)C(=O)N1CCC2(CC1)CNC(=O)C2 1324308792 MGIOGSWNXGXOSE-UHFFFAOYSA-N 323.393 -0.176 30 20 DBED C=CCn1cc(CNC(=O)NCCCN2C(=O)CNC2=O)nn1 1326199257 DLDMFBGVHUBUHQ-UHFFFAOYSA-N 321.341 -0.795 30 20 DBED C=CCOCCNC(=O)C(=O)N1CCN(CC)C(=O)[C@H]1CC 1328144865 BLIKBMUWQPUKJF-GFCCVEGCSA-N 311.382 -0.226 30 20 DBED C#CC1CCN(C(=O)C(=O)N[C@@H]2CCC(=O)N(C)C2=O)CC1 1329369799 MNNAQRJPOIGQNX-LLVKDONJSA-N 305.334 -0.878 30 20 DBED CCN1C[C@H](CNC(=O)C(=O)N2CC[C@](F)(C#N)C2)CC1=O 1329863830 SXABIZSBINWTKF-HZMBPMFUSA-N 310.329 -0.565 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@H]1CCCN(C)C1=O)[C@@H]1CCCO1 1330398370 YHVIOMYPVYQIRK-SRVKXCTJSA-N 307.350 -0.980 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N(CCO)Cc2ccccc2)CCO1 1330892809 RKQKUTQDTBCVQI-CQSZACIVSA-N 317.345 -0.242 30 20 DBED CN(C)CC1(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 1332354920 PPSVHIRRUXIVSU-SEYXRHQNSA-N 306.366 -0.029 30 20 DBED COCCNC(=O)[C@@H](C#N)C(=O)[C@H](C)Sc1nncn1C 1342520071 MADPCIBTPFLZSV-IUCAKERBSA-N 311.367 -0.233 30 20 DBED COC(=O)[C@H](CNC(=O)C#CC1CCNCC1)[C@@H]1CCOC1 1342685291 NJVDYPOJPGXZMG-ZIAGYGMSSA-N 308.378 -0.069 30 20 DBED N#Cc1cn(CC(=O)N[C@H]2CCC[C@@H]2CCO)c(=O)nc1O 1362711019 PSJNPFGDGGBTPU-KOLCDFICSA-N 306.322 -0.512 30 20 DBED N#Cc1cn(CC(=O)Nc2nc3n(n2)CCCC3)c(=O)nc1O 1363316418 CXHCEGLPZWWIGO-UHFFFAOYSA-N 315.293 -0.613 30 20 DBED CC[C@H](C)NC(=O)CCNS(=O)(=O)N1CCO[C@@H](C#N)C1 1364075681 RJZSMXVVFCYHBI-QWRGUYRKSA-N 318.399 -0.650 30 20 DBED C[C@@H](C#N)C(=O)N1CC([C@H](C)NC(=O)CN(C)C(=O)C2CC2)C1 1370132290 TWZIQBQRNPGQNJ-QWRGUYRKSA-N 320.393 -0.022 30 20 DBED COCCN(CCNC(=O)[C@H]1CCCC(=O)N1)C(=O)[C@@H](C)C#N 1371146169 ODUDQIGNEDURNH-NWDGAFQWSA-N 324.381 -0.594 30 20 DBED COCC(=O)NCCC(=O)NC1(CNC(=O)[C@H](C)C#N)CC1 1379078180 DBEAPJNRRNCSAL-SNVBAGLBSA-N 310.354 -0.936 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)[C@H]2CCCS2(=O)=O)CC1 1379081405 LDDOJUMMMFAQQH-NXEZZACHSA-N 313.379 -0.512 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@@H]1CCN(C(=O)c2cn(C)c(=O)n2C)C1 1385377820 GXCUACFQWMSKTD-WDEREUQCSA-N 319.365 -0.444 30 20 DBED C[C@@H](C(=O)NC(N)=O)N1CCC(N(C)C(=O)[C@H](C)C#N)CC1 1389326950 DEEBJZBXZXGWDL-ZJUUUORDSA-N 309.370 -0.348 30 20 DBED Cc1nc(C(=O)NC[C@@]2(O)CCN(C(=O)[C@H](C)C#N)C2)co1 1394635702 VNASLWHZTRBUKR-OTYXRUKQSA-N 306.322 -0.164 30 20 DBED C=C(Cl)CNC[C@H](O)CNC(=O)c1ccoc1CC(N)=O 1406266382 KTYDJQSKMCRHKP-VIFPVBQESA-N 315.757 -0.260 30 20 DBED CN(C[C@@H](O)CNCc1cccc(C#N)c1)C(=O)c1cnn[nH]1 1411058376 LDEGYKHWTOIDJU-ZDUSSCGKSA-N 314.349 -0.101 30 20 DBED COCCN(CCC#N)C(=O)c1nc(C)n(-c2nc[nH]n2)n1 1412499085 FLVKSMYSAQTKMN-UHFFFAOYSA-N 304.314 -0.304 30 20 DBED Cc1c(C#N)c(=O)n(CC(=O)NC[C@H]2CCCO2)c(=O)n1C 1421443587 XQYMDLARXIIGPO-SNVBAGLBSA-N 306.322 -0.978 30 20 DBED COCC(=O)NCCC(=O)NC1CCN(C(=O)[C@@H](C)C#N)CC1 1427575124 STVYSMHPWRTGPP-NSHDSACASA-N 324.381 -0.594 30 20 DBED Cn1ccnc1CNC[C@H](O)CNC(=O)c1cc(C#N)c[nH]1 1438988017 ZRYDKDOFFOBDLY-NSHDSACASA-N 302.338 -0.500 30 20 DBED CC[C@H](CNC(=O)c1ccc(C(N)=O)nc1)NC(=O)[C@@H](C)C#N 1450991760 LSROUXZYAPUSOV-GXSJLCMTSA-N 317.349 -0.035 30 20 DBED C[C@H](CC(N)=O)C(=O)N(C)CCN(C)C(=O)c1cc(C#N)c[nH]1 1452124423 MQKPTSGUNRDHIK-SNVBAGLBSA-N 319.365 -0.072 30 20 DBED CCOC(=O)[C@@H]1CN(C(=O)Cn2cnc(C#N)n2)CC12COC2 1455484452 PRTKEGQXMUISLG-JTQLQIEISA-N 319.321 -0.812 30 20 DBED CCS(=O)(=O)NCCN1CC(CNC(=O)[C@H](C)C#N)C1 1494536908 CPSYKVJZIBDXNT-SNVBAGLBSA-N 302.400 -0.867 30 20 DBED O=C(NCC#CCO)NCc1ccc(CN2CCNCC2)cc1 1580626215 ZWNCEUGYKPNHSC-UHFFFAOYSA-N 316.405 -0.113 30 20 DBED C=C[C@H](COC)NC(=O)N1C[C@H](C(=O)O)[C@@H](C(=O)OC)C1 1588692738 IYXHTTBQRHXZFY-UTLUCORTSA-N 300.311 -0.297 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H](C(=O)O)C[C@@H]2C(=O)OC)nn1 1588910298 PCXKHHVEDJLBMS-GXSJLCMTSA-N 322.321 -0.058 30 20 DBED C[C@H](C(=O)N(C)CCC#N)n1cc([N+](=O)[O-])c(-c2nn[nH]n2)n1 1588940458 PQBKFLHVZLDRAZ-SSDOTTSWSA-N 319.285 -0.096 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@@H]2C(=O)O)C1 1603700177 NRNMTZKDPVLBLN-MNOVXSKESA-N 308.334 -0.944 30 20 DBED C=CCN1C(=O)C(=O)N(Cc2nc([C@@H](C)C(=O)O)no2)C1=O 1609636886 QENUMPQYWKMTEH-ZCFIWIBFSA-N 308.250 -0.266 30 20 DBED Cc1ncccc1CC(=O)N[C@H]1CCN(CC(=O)NCC#N)C1 1713086426 OGLWCFAVEKSRDP-AWEZNQCLSA-N 315.377 -0.237 30 20 DBED C#CCN1CCN(CCNC(=O)c2coc(C(N)=O)c2)CC1 1752371556 XPJQOJBFVMGENJ-UHFFFAOYSA-N 304.350 -0.641 30 20 DBED Cc1conc1C(=O)N1CC[C@@H](CNCC(=O)NCC#N)C1 1752955986 INSLIFSIOXJVLG-NSHDSACASA-N 305.338 -0.326 30 20 DBED N#CCNC(=O)CN1CC[C@H](CNC(=O)c2ccccn2)C1 1753118207 IGSHHLLJDHINIK-GFCCVEGCSA-N 301.350 -0.227 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NC1CN(CC#CCOC)C1 1753388213 NJVVWASVUCDMKP-HNNXBMFYSA-N 307.394 -0.093 30 20 DBED C#CCOCCC(=O)N1C[C@@H]2C[C@H]1CN2CC(=O)NCCC 1753420835 MAEAAYBPRXJWNQ-KBPBESRZSA-N 307.394 -0.162 30 20 DBED CC[C@@H](CNC(=O)[C@@H]1CCc2nncn2C1)NCC#CCOC 1753498171 VBEUBCUOKJCDBS-KGLIPLIRSA-N 319.409 -0.025 30 20 DBED CC(C)[C@@H](CNC(=O)CSCC#N)NCC(=O)NC(N)=O 1753824699 OEHSCZXPAZIIHK-SECBINFHSA-N 315.399 -0.832 30 20 DBED Cc1cn(C)nc1C(=O)NC[C@@H](NCC(=O)NCC#N)C(C)C 1753828751 FUXRXKNQXVETEC-GFCCVEGCSA-N 320.397 -0.288 30 20 DBED Cc1[nH]nc(C(=O)N2CCC[C@H]2CNCC(=O)NCC#N)c1O 1754608162 TVLHKNJTLMKOCW-JTQLQIEISA-N 320.353 -0.742 30 20 DBED CC#CCN1CC[C@H](N2CCN(C(=O)[C@@H](C)NC(C)=O)CC2)C1 1754661516 GNZMFDQRPPRICB-ZBFHGGJFSA-N 320.437 -0.247 30 20 DBED Cn1ncc(CNC2(CNC(=O)C#CC3CC3)CCOCC2)n1 1754736461 MSAAYXQOGFAAOH-UHFFFAOYSA-N 317.393 -0.017 30 20 DBED C#CCNCCN(CCO)C(=O)[C@H]1CCn2c(cnc2C)C1 1754891178 MHBLILLEHSZLGV-AWEZNQCLSA-N 304.394 -0.202 30 20 DBED C=C(C)CNCC[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 1754940985 BDGKMQWSVNHXCE-LBPRGKRZSA-N 308.382 -0.058 30 20 DBED N#Cc1ccc(C(=O)NC[C@H]2COCCN2CCOCCO)[nH]1 1754964448 BBMHFMWZMKVQOS-ZDUSSCGKSA-N 322.365 -0.674 30 20 DBED C#CCN(C)CCCN(C)C(=O)Cn1nc2ccccn2c1=O 1755041108 LKKLZBCIHGKZLH-UHFFFAOYSA-N 315.377 -0.091 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CS(=O)(=O)NC)C[C@@H]1C 1755165151 GFOMQPVKUOZZMU-NWDGAFQWSA-N 301.412 -0.472 30 20 DBED N#CCN[C@@H](CO)CNC(=O)c1cc(-c2cccnc2)on1 1755636745 MQXDXMKPGNFHSR-LLVKDONJSA-N 301.306 -0.060 30 20 DBED C#CCNC(=O)CNC1CC(N(C)C(=O)[C@H]2CCCCO2)C1 1755855142 GVIHOKJUBWIRFN-JXQTWKCFSA-N 307.394 -0.116 30 20 DBED C#CCN1CCC(C(=O)N(C)[C@H](C)CNC(=O)COC)CC1 1756000890 ZHWFSLHNNOMXCR-CYBMUJFWSA-N 309.410 -0.059 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@H](C)N(C)C(=O)c1cnnn1C 1756020545 LHTYBPUKVHMCPF-IINYFYTJSA-N 309.370 -0.281 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1C[C@H](NC(=O)[C@]2(C)CCNC2=O)C1 1756263261 IJBRCSOJXNAUOL-USXUVBGUSA-N 306.366 -0.317 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H](CO)NC(=O)Cc1ccccc1 1756520724 BZCLAAVJPSGHLJ-HIFRSBDPSA-N 318.373 -0.139 30 20 DBED C#Cc1cncc(C(=O)NC[C@H](CO)NC(=O)[C@@H]2CCCO2)c1 1756548201 JSECEXJYCOBAGN-KGLIPLIRSA-N 317.345 -0.551 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2nocc2C)C1 1757035356 LIORUROQUKHXIY-IJLUTSLNSA-N 321.333 -0.677 30 20 DBED C=CCCO[C@H](C)C(=O)N1C[C@H](O)[C@H](NC(=O)c2nc[nH]n2)C1 1757199859 GQWJVVVKEQFXKR-MXWKQRLJSA-N 323.353 -0.913 30 20 DBED N#C[C@H]1CN(S(=O)(=O)N2CCC3(CCO3)CC2)CCO1 1771689249 KSCDGDHJLUFGFA-NSHDSACASA-N 301.368 -0.290 30 20 DBED Cn1c(=O)nc(O)c2nc(CCC(=O)N3CC(C#N)C3)[nH]c21 1771722922 UPBLIUGNYHXOLQ-UHFFFAOYSA-N 302.294 -0.723 30 20 DBED CNC(=O)CNC(=S)NN=Cc1sccc1C(=O)O 1776042411 LQENBWQBQVJURQ-UHFFFAOYSA-N 300.365 -0.010 30 20 DBED CC(C)[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC#N)C2 1793071059 FXVJPGVJAKXVAG-NEBZKDRISA-N 323.393 -0.103 30 20 DBED C#CCCC(=O)N1CCCC12CN(C(=O)[C@H]1CNC(=O)C1)C2 1846998850 HQIUYRSONZBIMZ-GFCCVEGCSA-N 303.362 -0.261 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CC(=O)NC 1847766424 DBIDWKXYLUVOOI-AVGNSLFASA-N 323.393 -0.085 30 20 DBED CN1C(=O)CC[C@@H](NS(=O)(=O)c2ccc(C#N)cc2)C1=O 90030866 WVICQTKUAXOAHS-LLVKDONJSA-N 307.331 -0.016 30 20 DBED O=C1NC[C@H]2CN(CC#Cc3ccc(F)cc3)CCN2C1=O 157128872 RALHGUSEUINXTN-AWEZNQCLSA-N 301.321 -0.180 30 20 DBED C[C@H](CC#N)NC(=O)Cn1cc(Br)c(=O)[nH]c1=O 194659762 PIQLPGWJTMBVOO-ZCFIWIBFSA-N 315.127 -0.283 30 20 DBED N#C[C@H]1CN(S(=O)(=O)N2CCC[C@H](C(=O)O)C2)CCO1 251209616 LEAPOKGDVRBXAC-UWVGGRQHSA-N 303.340 -0.748 30 20 DBED C=CCNC(=O)CNc1cc(N2CCN(C)C(=O)C2)ncn1 274812190 YESHEBTXIMOLKS-UHFFFAOYSA-N 304.354 -0.531 30 20 DBED C[C@H]1CN(/C(O)=N/CC2(N3CCOCC3)CC2)CC(=O)N1C 328651855 JVIVSEWMDUKGRJ-LBPRGKRZSA-N 310.398 -0.072 30 20 DBED C[C@@H]1OCC[C@]1(C)/N=C(/O)Nc1ncn(CC(=O)N(C)C)n1 329578722 TYAMOXRCWYICDB-ZANVPECISA-N 310.358 0.260 30 20 DBED CC(C)C(=O)NCCC/N=C(/O)N1CCS(=O)(=O)CC1 330475773 JREIAGJVMQXSQO-UHFFFAOYSA-N 305.400 -0.207 30 20 DBED CO[C@H]1CN(/C(O)=N/C[C@@H](C)N2CCOCC2)C[C@H]1OC 331141838 XESJSVOQPMKNAX-UPJWGTAASA-N 301.387 -0.033 30 20 DBED N#C[C@H]1CN(S(=O)(=O)N2CCOC[C@@H]2C2CC2)CCO1 336887386 GYVLMUWVKZXHOH-NWDGAFQWSA-N 301.368 -0.434 30 20 DBED COCCN(CCC#N)S(=O)(=O)N(C)CC1(O)CCC1 336941139 JMFGBCMVXBLHNQ-UHFFFAOYSA-N 305.400 -0.060 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N1[C@H]2CC[C@H]1CC(=O)NC2 337059328 FRAHEIJDUKKHKI-DCAQKATOSA-N 300.384 -0.324 30 20 DBED C=CC[C@@H](CO)CNC(=O)C(=O)Nc1c(C(=O)OC)cnn1C 340165860 MPVVLGCTKXESNE-SECBINFHSA-N 324.337 -0.554 30 20 DBED CCn1cc(C#N)c(=O)n(CC(=O)N[C@@H](C(C)=O)C(C)C)c1=O 340939969 OFSQSSIKZFIBNO-CYBMUJFWSA-N 320.349 -0.369 30 20 DBED COC(=O)c1cnc(NS(=O)(=O)c2ccc(C#N)o2)cn1 342476180 HFMDELGTPIUSFN-UHFFFAOYSA-N 308.275 0.529 30 20 DBED Cc1cccc(NC(=O)NCC(=O)NCC(=O)NCC#N)c1 343534769 XOAJNTQKSFDNBN-UHFFFAOYSA-N 303.322 -0.128 30 20 DBED CN(CC#N)C(=O)c1ccc(S(=O)(=O)N(C)CCO)cc1 344578133 LAMWCOPACHHQNS-UHFFFAOYSA-N 311.363 -0.105 30 20 DBED COC(=O)Cn1ccc(N[C@H](C)C(=O)NC2(C#N)CCC2)n1 345113062 ODIWHXLTTPCICA-SNVBAGLBSA-N 305.338 0.419 30 20 DBED CC(C)N1CCO[C@H](C(=O)N2CCN(C(=O)CC#N)CC2)C1 348587754 KYGFIHNDVRKNJG-ZDUSSCGKSA-N 308.382 -0.320 30 20 DBED C=C[C@H](CO)NC(=O)Nc1nnc(CCC(=O)OC)s1 350187204 VCXLXEXHUCKIEP-SSDOTTSWSA-N 300.340 0.312 30 20 DBED Cn1nnnc1N1CCC(NC(=O)c2ccnc(C#N)c2)CC1 355635181 NMKITFRFBPCZSV-UHFFFAOYSA-N 312.337 -0.124 30 20 DBED N#CCN1CCN(C(=O)c2ccc(OCC(N)=O)cc2)CC1 357048751 FCXSFBWNZGQRBO-UHFFFAOYSA-N 302.334 -0.168 30 20 DBED Cc1ccccc1C[C@H](CO)NC(=O)NCC(=O)NCC#N 358311041 KCCQNKONSGIECM-CYBMUJFWSA-N 304.350 -0.163 30 20 DBED CC(C)N1CC[C@H](NS(=O)(=O)N(C)C[C@@H](C)C#N)C1=O 407956003 KXQWMDUDQPKTLL-QWRGUYRKSA-N 302.400 -0.078 30 20 DBED C#CCNC(=O)CN1CCN(CC(=O)NCc2ccco2)CC1 491126239 MEJRJQOXZMHCDW-UHFFFAOYSA-N 318.377 -0.737 30 20 DBED C#CCNC(=O)CCNC1CCN(CC(=O)NCCC)CC1 491619381 FVOQCGXVQHSVEH-UHFFFAOYSA-N 308.426 -0.294 30 20 DBED COC(=O)CN(CC#N)S(=O)(=O)CCCN1CCOCC1 546620579 FYEIYPKRTIJWCW-UHFFFAOYSA-N 319.383 -0.963 30 20 DBED C[C@H](C(=O)NCC1(C#N)CC1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 565400277 BABAMJFKDSEYHB-LZQZFOIKSA-N 317.345 -0.043 30 20 DBED COc1cc(C#N)ccc1S(=O)(=O)N1C[C@@H](O)[C@H](OC)C1 580096555 IUOQDJBCDRJFLO-ZYHUDNBSSA-N 312.347 -0.053 30 20 DBED COC(=O)C[C@H](NS(=O)(=O)CC1(CC#N)CC1)C(=O)O 593255583 SSMCCSBIUBJQNF-QMMMGPOBSA-N 304.324 -0.384 30 20 DBED CC1(C)C[C@@]1(C#N)NC(=O)[C@H]1CCCN(S(N)(=O)=O)C1 597670242 OQMJIZOJOZEWIE-CABZTGNLSA-N 300.384 -0.290 30 20 DBED N#Cc1cc(NC(=O)C(=O)NC[C@H]2COCCN2)ccc1F 599899044 KNOWVHRZRPGGAV-NSHDSACASA-N 306.297 -0.260 30 20 DBED N#Cc1cnn(-c2ccc(C(=O)N3C[C@H](O)[C@@H](O)C3)cc2)c1N 600217194 RWYBGHARFGPDEI-STQMWFEESA-N 313.317 -0.496 30 20 DBED C[C@]1(CO)C[C@H](O)CN1CC(=O)NCc1cccc(C#N)c1 602906779 KIHXTRQSDGEYJD-GOEBONIOSA-N 303.362 -0.008 30 20 DBED C[C@H](O)C(=O)N1CCN(C(=O)Nc2nn(C)cc2C#N)CC1 611228311 KLVZVWFUMCDSQT-VIFPVBQESA-N 306.326 -0.651 30 20 DBED CS(=O)(=O)N1CCN(CCNc2cc(C#N)ncn2)CC1 617941735 YGADNINEDKOANJ-UHFFFAOYSA-N 310.383 -0.663 30 20 DBED COCC#CCN1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 679437293 WGITUHWIDVJQER-CQSZACIVSA-N 316.423 -0.237 30 20 DBED Cc1cc(C#N)ccc1S(=O)(=O)N(C)CCS(N)(=O)=O 719715398 WYZHTWQVKBLLBM-UHFFFAOYSA-N 317.392 -0.224 30 20 DBED NC(=O)CNC(=S)NN=Cc1ccc(C(=O)NC2CC2)cc1 731928253 LPBLJWTZKGYDTQ-UHFFFAOYSA-N 319.390 -0.138 30 20 DBED CC(=NNC(=S)NCC(N)=O)c1ccc2c(c1)CC(=O)N2 731928823 VSATWAXPEHFDPO-UHFFFAOYSA-N 305.363 -0.145 30 20 DBED CSCCC=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 755803637 GZYADBXGIZCRGG-UHFFFAOYSA-N 320.396 -0.899 30 20 DBED C#CCC[C@H](O)CNC(=O)N[C@@H](CC)C(=O)N1CCOCC1 798433607 PRCIZOTUQYIBJA-STQMWFEESA-N 311.382 -0.303 30 20 DBED C[C@H](OC(=O)c1ccc(C#N)[nH]1)C(=O)NCCN1CCOCC1 805968659 SPMYCUWFJDRNLV-NSHDSACASA-N 320.349 -0.120 30 20 DBED C#CCOCCNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 811027921 HPHNNDBBSSYJCX-UHFFFAOYSA-N 321.358 -0.397 30 20 DBED COc1cc(C(=O)O)ccc1NN=C1C(=O)NC(=O)NC1=O 814224560 JSBNXBRNOZPKJM-UHFFFAOYSA-N 306.234 -0.473 30 20 DBED C#CCn1cc(CNC(=O)CCSc2nnnn2C)cn1 816373159 YNAHGLHNAZBKRU-UHFFFAOYSA-N 305.367 -0.162 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N[C@@H]1CCc2n[nH]cc2C1 827125998 VIQNYLJYNANQCX-CYBMUJFWSA-N 318.377 -0.119 30 20 DBED N#CCN(CCC(=O)NC(=O)NCC(F)(F)F)CC(=O)O 833067575 XHLPHCHWZHPLGU-UHFFFAOYSA-N 310.232 -0.325 30 20 DBED N#C[C@H]1CNC[C@@H]1NC(=O)CN1C(=O)NC2(CCCCC2)C1=O 834505477 LNYAEVLCNWSVOM-QWRGUYRKSA-N 319.365 -0.531 30 20 DBED CCN[C@H](C)CNC(=O)C(=O)NCCNc1ccc(C#N)cn1 842271917 ZOGGCXSFYAGRMG-LLVKDONJSA-N 318.381 -0.404 30 20 DBED C=C[C@@H](C)ONC(=O)NCCN1CCN(S(C)(=O)=O)CC1 845634976 CZHPTQCMROHUGS-LLVKDONJSA-N 320.415 -0.631 30 20 DBED C#C[C@@H](NC(=O)C(=O)NCCC1CCNCC1)[C@H]1CCCO1 846328426 HYXKJMCQKYUDFS-ZIAGYGMSSA-N 307.394 -0.211 30 20 DBED COC(=O)c1ccc(NC[C@H]2CC(C(N)=O)=NO2)c(C#N)n1 848687268 ZGCRIHPYWUGGAH-SSDOTTSWSA-N 303.278 -0.218 30 20 DBED COCCN(c1c(C#N)c(=O)n(C)c(=O)n1C)C1CCOCC1 866265023 WSSABXUNLOHEII-UHFFFAOYSA-N 322.365 -0.413 30 20 DBED C#CCN(C)CCCNC(=O)NCCCS(=O)(=O)NC 868940315 OKWCEKWUJIFMRE-UHFFFAOYSA-N 304.416 -0.820 30 20 DBED CN(C)CC#CCNC(=O)[C@@H]1COCCN1CC(F)(F)F 913521936 UCUMVZAROIIMMP-NSHDSACASA-N 307.316 -0.069 30 20 DBED N#CCCN(CCC#N)C(=O)COC(=O)CN1CCCNC1=O 915433641 MQOVMDREJKFNAC-UHFFFAOYSA-N 321.337 -0.399 30 20 DBED C[C@@H](C#N)C(=O)N1CCCN(C(=O)CN2C(=O)CCC2=O)CC1 941024120 LODMLFWPEMMYND-NSHDSACASA-N 320.349 -0.644 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@@H](NC(=O)[C@H]3CCNC3=O)C2)c1 942001827 MYLPVPVOIKDVIQ-MNOVXSKESA-N 315.333 -0.647 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)C[C@@H]1C 948071394 XOXYIFGJFYUQDP-RYUDHWBXSA-N 318.381 -0.631 30 20 DBED C=CCn1cc(C(=O)N(C)C2CN(C(=O)[C@H](C)OC)C2)nn1 954307695 BDEBSCVANYFVIB-JTQLQIEISA-N 307.354 -0.218 30 20 DBED CN(C(=O)Cn1nccn1)C1CN(C(=O)c2cc(C#N)c[nH]2)C1 954368543 ACIOFERZLYNJCY-UHFFFAOYSA-N 313.321 -0.539 30 20 DBED C[C@@H](C#N)C(=O)N1CC(N(C)C(=O)c2cc(=O)n(C)cn2)C1 954631806 DOSHIOSDQHAMMC-VIFPVBQESA-N 303.322 -0.777 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](NC(=O)c2cc(=O)n(C)cn2)[C@H](C)C1 958382129 HGOQQYLRFPJSFM-HOSYDEDBSA-N 317.349 -0.483 30 20 DBED N#CCN1C[C@H](O)[C@H](CNC(=O)c2ccc(C(N)=O)s2)C1 958476531 LSTXANFZZZXBAJ-BDAKNGLRSA-N 308.363 -0.607 30 20 DBED CN1CC[C@@H](N2C[C@H]3[C@H](NC(=O)c4c[nH]c(C#N)c4)[C@H]3C2)C1=O 958618300 RCPJARDBXAPECY-RQJABVFESA-N 313.361 -0.223 30 20 DBED CNC(=O)c1cccc(C(=O)NC[C@H]2CN(CC#N)C[C@H]2O)c1 958694915 KFWINIPNSMJXCL-UONOGXRCSA-N 316.361 -0.408 30 20 DBED C=CCn1cc(C(=O)N2C[C@H]3CN(C(=O)COC)C[C@H]3C2)nn1 959791849 QFSSMELZUHEZQT-TXEJJXNPSA-N 319.365 -0.359 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CN(C(=O)CN3CCCC3=O)C[C@H]2C1 959829542 XEUBKPSOMRXLCO-UPJWGTAASA-N 318.377 -0.315 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)c2ccc(F)nc2)C1 961923671 MOPVXLQPEQHYQS-IEBDPFPHSA-N 306.297 -0.318 30 20 DBED N#CCNC1CC2(C1)CC(NC(=O)C1CC(=O)NC(=O)C1)C2 965451368 CKFLNAJSUFEXGF-UHFFFAOYSA-N 304.350 -0.420 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(C[C@H](NC(=O)c3cnnn3C)CO2)C1 965684398 WUQMBHKHBKGQIS-UWVGGRQHSA-N 318.337 -0.926 30 20 DBED C#CCCN1CC[C@@H](C)[C@@H](NC(=O)Cn2c(O)nnc2O)C1 968592676 OLOLPCPMEWUUCX-MNOVXSKESA-N 307.354 -0.461 30 20 DBED Cc1cncn1CC(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 968948805 BUWGKCSFOKXZFB-KGLIPLIRSA-N 316.361 -0.707 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2COCCO2)C1 973034330 SOWAWSIIJWPMRB-XGFWRYKXSA-N 324.377 -0.244 30 20 DBED CC#CCN1C[C@@H](NC(=O)CN2C(=O)CCC2=O)C(C)(C)C1 977576595 TTZCIKLVEJPUFF-GFCCVEGCSA-N 305.378 -0.015 30 20 DBED CN(C)C(=O)CN1C[C@@H]2C(CNC(=O)c3ccc(C#N)[nH]3)[C@H]2C1 978016323 ATKAGPPXVPRTRM-CHWSQXEVSA-N 315.377 -0.118 30 20 DBED C#CCN1C[C@@H]2C(CNC(=O)c3ccoc3CC(N)=O)[C@H]2C1 978654166 NIUDEMKEFMSZAJ-CHWSQXEVSA-N 301.346 -0.152 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](CNC(=O)c2cnn(C)c2N)C1 983213906 GKUHJAFTNMUJSC-ZJUUUORDSA-N 304.354 -0.260 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](CNC(=O)c2cc(=O)n(C)cn2)C1 983215323 LAJRGDKVDADOLZ-MNOVXSKESA-N 317.349 -0.482 30 20 DBED C[C@@H]1[C@@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)CCCN1CC#N 994338512 OSJJQACFYNZODX-MNOVXSKESA-N 321.381 -0.191 30 20 DBED N#CCN[C@@H]1CCCN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 1000480794 SSMCJXASGCIBRQ-SNVBAGLBSA-N 315.337 -0.825 30 20 DBED C=CCn1cc(C(=O)NCC2CN(C(=O)[C@@H]3CCOC3)C2)nn1 1001959955 FHEMHFZLYQXXLX-GFCCVEGCSA-N 319.365 -0.311 30 20 DBED C=CCN1CC[C@H](N2CCC(NC(=O)c3nc[nH]n3)CC2)C1=O 1003813392 HBIDNSZTAWTTGE-LBPRGKRZSA-N 318.381 -0.214 30 20 DBED CN1CC[C@@H](C(=O)N[C@H]2CCCN(CC#N)C2)S1(=O)=O 1008840115 LVZFQOPTVHPKHF-QWRGUYRKSA-N 300.384 -0.876 30 20 DBED CC[C@@]1(C(=O)N2CCN(C(=O)C#CC3CC3)CC2)CCNC1=O 1011107686 LQEFDMJSYSKZQZ-QGZVFWFLSA-N 317.389 -0.013 30 20 DBED C#Cc1cncc(C(=O)N[C@H]2CC[C@H](C)N(C(=O)C(N)=O)C2)c1 1018405168 RUYLCWYRQNJXEX-GWCFXTLKSA-N 314.345 -0.343 30 20 DBED C[C@@H](C#N)C(=O)N1CCCO[C@H](CNC(=O)c2cnn[nH]2)C1 1019619777 YQQHNDMCSOVGDS-VHSXEESVSA-N 306.326 -0.688 30 20 DBED C#Cc1cncc(C(=O)N[C@H]2C[C@@H](NCc3nnn(C)n3)C2)c1 1022685538 SNNXVQLGANHNRK-BETUJISGSA-N 311.349 -0.363 30 20 DBED C=C(C)CN[C@H]1C[C@@H](NC(=O)CN2CCS(=O)(=O)CC2)C1 1023080323 HRPORWLERKCLIZ-BETUJISGSA-N 315.439 -0.470 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2cncs2)C1 1024179198 DTADCHFSFLYMLE-FBIMIBRVSA-N 308.363 -0.467 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1CCCN([C@@H]2CCNC2=O)C1 1030031499 WLJLYESIILTJJS-SOUVJXGZSA-N 318.421 -0.447 30 20 DBED C=CCN1CC[C@@H](N2CCCC[C@H](NC(=O)C(N)=O)C2)C1=O 1034373905 ZCJCZWMWXFJGKF-NWDGAFQWSA-N 308.382 -0.771 30 20 DBED N#Cc1c[nH]c(C(=O)N2CCC[C@@H]2CN[C@H]2CCNC2=O)c1 1034895852 SMIKUTCHSXEPSO-NEPJUHHUSA-N 301.350 -0.031 30 20 DBED C#CCN1CCO[C@H](CNC(=O)[C@H]2CCc3nncn3C2)C1 1035608613 HPEMTLSTTOBGEL-QWHCGFSZSA-N 303.366 -0.709 30 20 DBED C#CCCN1CCO[C@@H](CNC(=O)c2ccc(C(N)=O)cn2)C1 1035617820 AUYYITIAAHBWKO-ZDUSSCGKSA-N 316.361 -0.366 30 20 DBED C=CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1nc(C)n(-c2nc[nH]n2)n1 1037539631 PLNVOLMPGVEYBD-OUAUKWLOSA-N 314.353 -0.318 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2[C@H]3C[C@H]2N(CC(=O)N(C)C)C3)nc1 1037691351 VYGHJLGFEAIKEV-BJJXKVORSA-N 312.373 -0.046 30 20 DBED CN1CC[C@@H](N2CC[C@@H]2CNC(=O)c2cc(C#N)c[nH]2)C1=O 1038142218 BYUFYMAOWVJWRN-DGCLKSJQSA-N 301.350 -0.079 30 20 DBED CC(C)C#CC(=O)NC[C@]1(O)CCN(C(=O)c2cccnn2)C1 1039666079 XSOXMZNHLMKVLA-MRXNPFEDSA-N 316.361 -0.171 30 20 DBED CC[C@H](C(=O)N1CC[C@@](O)(CNC(=O)C#CC2CC2)C1)N(C)C 1039680600 JMGBMTRIMLAQRS-RHSMWYFYSA-N 321.421 -0.180 30 20 DBED C#CCN1CCC[C@]2(CCN(C(=O)C3CS(=O)(=O)C3)C2)C1 1040221385 RUQKHRLMIJMEJB-HNNXBMFYSA-N 310.419 -0.021 30 20 DBED O=C(NC[C@@]1(O)CCN(C(=O)C#CC2CC2)C1)c1ccncn1 1040659284 AGMFGVXCGPMBIR-INIZCTEOSA-N 314.345 -0.417 30 20 DBED Cc1ocnc1C(=O)N1CC[C@@](O)(CNC(=O)[C@H](C)C#N)C1 1040759624 BXFNPRSZPCYPSL-YMTOWFKASA-N 306.322 -0.164 30 20 DBED C[C@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)CCn2cccn2)C1 1040764836 ZKZDWOKGCMJUFW-IUODEOHRSA-N 319.365 -0.488 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2cc(C)on2)C1 1041369164 VXEWZYVCLDZZLY-NSHDSACASA-N 321.333 -0.676 30 20 DBED CC#CCN1CC[C@@]2(CCN(C(=O)C3CC(=O)NC(=O)C3)C2)C1 1041740870 FLHRENHMPPQTLS-QGZVFWFLSA-N 317.389 -0.013 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)[C@H](CC)OC)C1 1041913446 KNNKSLVKUNXFPD-RYUDHWBXSA-N 314.382 -0.308 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(O)(CNC(=O)c2cocn2)C1 1042056078 QCBCWQRJMIIBTL-ZDUSSCGKSA-N 309.322 -0.695 30 20 DBED CC#CCN1CC[C@@H]2CCN(C(=O)Cn3ncn(C)c3=O)C[C@@H]21 1042122185 NAQJTYOYJHRWRB-KGLIPLIRSA-N 317.393 -0.472 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)C2[C@@H]3CCC[C@@H]23)C1 1042397709 PUHJCVSIWISCSF-JHJVBQTASA-N 320.389 -0.240 30 20 DBED CC(=O)N[C@H](C)C(=O)N1CC(O)(CNC(=O)C#CC(C)(C)C)C1 1042965146 WCAQFLMRWCQRBO-LLVKDONJSA-N 323.393 -0.750 30 20 DBED C=CCCOCC(=O)NCC1(O)CN(C(=O)c2cccnn2)C1 1043567747 FSILOQKZMSBAJT-UHFFFAOYSA-N 320.349 -0.628 30 20 DBED N#Cc1cnccc1N1C[C@H](O)[C@H](NC(=O)Cc2ccon2)C1 1043884299 RPEUDSCYCSBHLU-OCCSQVGLSA-N 313.317 -0.150 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[C@H]2C(N)=O)C1 1044425635 DLOHQNBASLTDDE-GHMZBOCLSA-N 309.366 -0.846 30 20 DBED C=C1CC(C)(C(=O)N2CC(O)(CNC(=O)[C@@H]3CCNC3=O)C2)C1 1044453198 VZFHKHCHTPMFOL-LLVKDONJSA-N 321.377 -0.832 30 20 DBED N#Cc1nccnc1N1C[C@H](O)[C@H](NC(=O)c2n[nH]cc2F)C1 1044494342 PVLAXHJLKWNFPU-ZJUUUORDSA-N 317.284 -0.810 30 20 DBED C#CCCN1CC[C@@H](N2CCN(C(=O)c3cnn(C)n3)CC2)C1 1046070674 ZANFFZDSDTUTLS-CQSZACIVSA-N 316.409 -0.330 30 20 DBED C[C@@]1(NC(=O)c2c[nH]c(C#N)c2)CCN([C@H]2CCNC2=O)C1 1046252710 HKENQVBNYTWPCA-SWLSCSKDSA-N 301.350 -0.031 30 20 DBED C#CCN1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 1046969057 VHXFTFKHTOSXTR-UWVGGRQHSA-N 300.309 -0.626 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)C(C)(C)c2cnn(C)c2)C1 1047580751 SRUGWNPVRJNNII-KBPBESRZSA-N 304.394 -0.166 30 20 DBED CC#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CNC(C)=O)C1 1048070270 FGEGWCZKBXOIPB-KBPBESRZSA-N 323.393 -0.654 30 20 DBED CC(C)OCC(=O)N(C)[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 1048486760 UBJCYRRQZVMRLF-KBPBESRZSA-N 308.378 -0.145 30 20 DBED CC(C)C#CC(=O)N(C)[C@H]1CN(C(=O)[C@@]23COC[C@@H]2C3)C[C@@H]1O 1048814076 UVDBQNZDEKFOBS-WSMBLCCSSA-N 320.389 -0.288 30 20 DBED C=CCn1cc(C(=O)N2CC3(CCN(CC(N)=O)CC3)C2)nn1 1050692973 RJNXNASVHNZLEF-UHFFFAOYSA-N 318.381 -0.513 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)c1ccc2nn[nH]c2n1 1050950409 WLOBVKBNIKKFNZ-SNVBAGLBSA-N 300.322 -0.583 30 20 DBED N#CCN1CCOC[C@@H]1CNC(=O)c1cnc2[nH]c(O)nc2c1 1050990775 MTZOEMWJSICTOF-JTQLQIEISA-N 316.321 -0.382 30 20 DBED C#CCCN1CCOC[C@@H]1CNC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1051044309 OGRIUQGPQWPMKQ-YHUYYLMFSA-N 322.405 -0.122 30 20 DBED C#CCCN1CCOC[C@@H]1CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1 1051117003 QGSNHYRMFAXISP-RDBSUJKOSA-N 307.394 -0.272 30 20 DBED Cn1cc(CNC[C@H]2CN(C(=O)C#CC3CC3)CCO2)nn1 1051608152 AVRHHBQMBYUUGM-AWEZNQCLSA-N 303.366 -0.455 30 20 DBED N#Cc1cnc(NC2CC(CNC(=O)[C@H]3C[C@H]3C(N)=O)C2)cn1 1052086057 VNRUFBJLWATWFD-FZOPHOIVSA-N 314.349 -0.224 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1C 1052267167 WTIVTKCKPJGRDS-VXGBXAGGSA-N 309.366 -0.888 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)[C@@H]3CCCCN(C)C3=O)CO2)C1 1053980664 BGHXLZIOUCSGJP-KGLIPLIRSA-N 319.405 -0.162 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)[C@H]3CCc4nn[nH]c4C3)CO2)C1 1053981361 ISCKHMIQSWSNRY-QWRGUYRKSA-N 316.365 -0.607 30 20 DBED N#Cc1ccc(N2CCN(C(=O)[C@H]3CCNC3=O)CC2)nn1 1055974084 VKICOYSUQKLACZ-NSHDSACASA-N 300.322 -0.867 30 20 DBED N#Cc1nccc(N2CCN(C(=O)C3(C(N)=O)CC3)CC2)n1 1055998650 LMCQJDMYZMCGSE-UHFFFAOYSA-N 300.322 -0.738 30 20 DBED Cn1nncc1C(=O)NC1[C@@H]2CN(c3nccnc3C#N)C[C@@H]12 1056195266 SXHXMVDQHIKHBW-RKDXNWHRSA-N 310.321 -0.659 30 20 DBED N#Cc1cnccc1N1C[C@H]2C(NC(=O)c3c[nH]c(=O)cn3)[C@@H]2C1 1056389222 KMOKBESJDZQSQB-GHMZBOCLSA-N 322.328 -0.099 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)COCC1CC1 1057067049 FMMTZJUYHYITGA-UHFFFAOYSA-N 314.382 -0.447 30 20 DBED O=C(C#CC1CC1)NCCN(CCO)C(=O)[C@H]1C[C@H]2CC[C@H]1O2 1057229285 LOWKSURJZSTLHG-QLFBSQMISA-N 320.389 -0.096 30 20 DBED C=CCOCCCC(=O)N(CCO)CCNC(=O)c1ncc[nH]1 1057266618 FMHKNSYFNFNALO-UHFFFAOYSA-N 324.381 -0.057 30 20 DBED Cc1c(C(=O)NCCN(CCO)C(=O)C#CC(C)C)cnn1C 1057517640 ZLIKFLOUTQNBSM-UHFFFAOYSA-N 320.393 -0.061 30 20 DBED N#Cc1cc(C(=O)NCCN(CCO)C(=O)C#CC2CC2)c[nH]1 1057531467 PTMBGDZIZBVSQL-UHFFFAOYSA-N 314.345 -0.150 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)[C@H](C1CC1)N(C)C 1057876943 VTKFEBLVPZJSJE-AAEUAGOBSA-N 310.398 -0.577 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)c1cnn(C)n1 1058094281 CFWQEKKLXDDUJP-UHFFFAOYSA-N 307.354 -0.975 30 20 DBED N#Cc1cnc(N2CC[C@@H](NC(=O)[C@H]3COCCO3)C2)cn1 1058304998 NVJCEIJMPBZVOU-ZYHUDNBSSA-N 303.322 -0.541 30 20 DBED C#CCCCCCC(=O)N(CCO)CCNC(=O)c1nc[nH]n1 1058307743 VJTMPEYRWHAOQX-UHFFFAOYSA-N 321.381 -0.061 30 20 DBED CC#CCCCC(=O)N(CCO)CCNC(=O)[C@H]1C[C@H]1C(N)=O 1058442321 ABCRTIMRZPHHRL-OLZOCXBDSA-N 323.393 -0.762 30 20 DBED CN1C(=O)CC[C@H]1C(=O)N[C@H]1CCN(c2nccnc2C#N)C1 1058516303 JBHLGEUTPNMCLP-JQWIXIFHSA-N 314.349 -0.336 30 20 DBED COc1ccnc(C(=O)NCCN(CCO)C(=O)[C@H](C)C#N)c1 1058660656 FKJBCSHUQFQQFP-LLVKDONJSA-N 320.349 -0.199 30 20 DBED N#Cc1cnc(N2CC[C@@H]3[C@@H](CCCN3C(=O)C(N)=O)C2)cn1 1059540117 KTXQKPJUJQCSIR-CMPLNLGQSA-N 314.349 -0.349 30 20 DBED O=C(C#CC1CC1)NC[C@H]1COCCN1C(=O)[C@@H]1CCCO1 1061570319 YQNHYVOFSAJTHY-KBPBESRZSA-N 306.362 -0.078 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)c1cnns1 1061845592 JJQQDHJSKKCULY-IUCAKERBSA-N 309.351 -0.345 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)Cc1ccnn1C 1061848635 SKGHWEJJBUDIMA-WCQYABFASA-N 319.365 -0.534 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)c1ccnnc1 1061852836 NHVDFQWXAXOFEL-PWSUYJOCSA-N 303.322 -0.407 30 20 DBED CC(=O)NCC(=O)NCC1(NC(=O)c2cc(C#N)c[nH]2)CCC1 1062410553 VKJXJSMNHZJGIU-UHFFFAOYSA-N 317.349 -0.209 30 20 DBED N#Cc1ccc(N2C[C@@H]3C[C@H]2CN3C(=O)Cn2nccn2)nn1 1062534527 JWYYJQDDLPANOY-RYUDHWBXSA-N 310.321 -0.571 30 20 DBED CC[C@H]1CN(C(=O)C(N)=O)CC[C@H]1Nc1nccnc1C#N 1064413587 XPJFPJHIRWBHGY-VHSXEESVSA-N 302.338 -0.127 30 20 DBED C#CCCCCC(=O)NC[C@H]1CN(C(=O)CNC(N)=O)CCO1 1064838776 KNTYPJAKONVUBN-LBPRGKRZSA-N 324.381 -0.808 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)c2cn(C)nn2)CCO1 1065113372 HIBNFYINEXYEBX-GFCCVEGCSA-N 319.365 -0.424 30 20 DBED N#Cc1ccc(N2CCOC[C@@H]2CNC(=O)c2nc[nH]n2)nc1 1066494517 HJHGYEDVDFOLCO-NSHDSACASA-N 313.321 -0.293 30 20 DBED C[C@@H]1CN(C(=O)Cn2nccn2)C[C@@H]1N=c1cc[nH]c(C#N)n1 1067154140 ZCXXTGTUCICGBI-MNOVXSKESA-N 312.337 -0.679 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCCN(C)C(=O)CN1CCOCC1 1067226730 UQLSQDIHMZXXBD-ZDUSSCGKSA-N 310.398 -0.215 30 20 DBED N#Cc1nccc(N2C[C@H]3C(CNC(=O)c4cnn[nH]4)[C@@H]3C2)n1 1068210117 QUKJYLZTKQFEEJ-UWVGGRQHSA-N 310.321 -0.421 30 20 DBED C=CCCC(=O)N1CC2(C[C@@H](NC(=O)[C@H]3COCCO3)CO2)C1 1068712969 GBYIBTPNTFYAKD-CHWSQXEVSA-N 324.377 -0.146 30 20 DBED C=C[C@@H](CC)CC(=O)N1CC2(C[C@H](NC(=O)C(N)=O)CO2)C1 1068993304 UXYCEFPUCIXUFG-QWRGUYRKSA-N 309.366 -0.440 30 20 DBED CC(C)N(C)CC(=O)N1CC2(C[C@@H](NC(=O)[C@@H](C)C#N)CO2)C1 1069003337 LTGMOPCAHWMCEI-QWHCGFSZSA-N 322.409 -0.028 30 20 DBED C=CCN[C@@H]1CN(C(=O)CCc2nc[nH]n2)C[C@@H]1n1ccnn1 1070171352 CIEGWGGLLIBNEL-NEPJUHHUSA-N 316.369 -0.444 30 20 DBED Cn1ccc(CC(=O)N2C[C@H](n3ccnn3)[C@H](NCC#N)C2)n1 1070193551 DGVJFQINICFDQP-OLZOCXBDSA-N 314.353 -0.881 30 20 DBED CO[C@@H](C)C(=O)N1C[C@H](c2n[nH]c(C)n2)C2(CN(CC#N)C2)C1 1070441649 ZWBXEVPPTAAFQA-CMPLNLGQSA-N 318.381 -0.101 30 20 DBED C=C(C)CN1CC2(C1)CN(C(=O)C(N)=O)C[C@@H]2c1n[nH]c(C)n1 1070448891 FRMLRKMXSOVURA-LLVKDONJSA-N 318.381 -0.598 30 20 DBED N#CCN1CCNC(=O)CCN(C(=O)c2n[nH]cc2F)CC1 1070997264 ATOHTVWLCWUMJA-UHFFFAOYSA-N 308.317 -0.664 30 20 DBED C#CCN1CC[C@]2(C1)CN(C(=O)CN1CCCC1=O)C[C@H](C)O2 1071133522 CEMOQWXBIPWZQK-YOEHRIQHSA-N 319.405 -0.066 30 20 DBED C[C@H]1CC[C@H](NC(=O)CN2CCCS2(=O)=O)CN1CC#N 1071550041 WVUKVEPWOSNZAF-RYUDHWBXSA-N 314.411 -0.485 30 20 DBED C#CCN[C@H]1CCN(C(=O)[C@H]2CCc3nnc(O)n3C2)[C@H]1C 1074718440 QUPBQUGTMGNLOQ-SRVKXCTJSA-N 303.366 -0.242 30 20 DBED Cc1cc(C)n2ncc(C(=O)N[C@@H]3CN(CC#N)C[C@H]3O)c2n1 1077492555 PRBZJYGHHDZPMV-CHWSQXEVSA-N 314.349 -0.355 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2COCCN2C2CCCC2)C1 1077561063 UBCZVHBSTMLGHC-RBSFLKMASA-N 322.409 -0.685 30 20 DBED C#CCN[C@@H]1C[C@H](NC(=O)Cn2ccc(O)nc2=O)C12CCC2 1078673522 ROPKQWRFIWFDNY-NEPJUHHUSA-N 316.361 -0.401 30 20 DBED Cn1nc(C(=O)N[C@H]2C[C@@H](NCC#N)C23CCC3)ccc1=O 1078800125 IZZOEDGVDJXFNK-NEPJUHHUSA-N 301.350 -0.066 30 20 DBED C=CCOCC(=O)N1CC(N(CC)C(=O)CCn2cncn2)C1 1079309175 NVXNUXMKUBIXPL-UHFFFAOYSA-N 321.381 -0.070 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)COC(C)C)C1 1081322698 YAKQQHVNRZBZIT-QWHCGFSZSA-N 314.382 -0.451 30 20 DBED O=C(Cn1ccnc1)NC[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1081580816 STIYPYJXCJAVBO-ZIAGYGMSSA-N 316.361 -0.768 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)C2(N3CCOCC3)CCC2)C1 1083901779 OIMQGPQSIJHLDY-KGLIPLIRSA-N 307.394 -0.964 30 20 DBED CCCC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CN(CC#N)C[C@@H]1O 1084085434 VOYKYEGPXMIMTE-UPJWGTAASA-N 308.382 -0.538 30 20 DBED C=CCN[C@H]1C[C@@H](CNC(=O)c2cn(CC(=O)N(C)C)nn2)C1 1086278772 NPISPDDOWXFFAK-TXEJJXNPSA-N 320.397 -0.350 30 20 DBED C#CCCN1CC[C@H](NC(=O)Cn2ccc(O)nc2=O)[C@H]1CC 1087645337 VCNOWFDKNTUGBI-QWHCGFSZSA-N 318.377 -0.059 30 20 DBED C=CCN1CC[C@H](NC(=O)c2c[nH]nc2S(N)(=O)=O)[C@H]1C 1088847710 IUYLUZZSGZLMAB-SCZZXKLOSA-N 313.383 -0.564 30 20 DBED C[C@@H](C[C@@H](C)N=c1cc[nH]c(C#N)n1)NC(=O)CNC(N)=O 1089216058 UCUWBEWNUPKFHQ-BDAKNGLRSA-N 305.342 -0.866 30 20 DBED CC1(C)C[C@@H](NC(=O)CN2CC(=O)NC2=O)CCN(CC#N)C1 1089519120 IUCDKFJBRGGVDE-NSHDSACASA-N 321.381 -0.331 30 20 DBED C#CCN1C[C@H]2[C@H]3CC[C@@H]([C@H]2C1)N(C(=O)C1CS(=O)(=O)C1)C3 1089805188 CHZUOOUWYRRYPX-MXAVVETBSA-N 322.430 -0.167 30 20 DBED CC#CCN1C[C@@H]2[C@@H]3CC[C@@H](CN3C(=O)Cn3ncnn3)[C@H]2C1 1089816881 QLOPRHSAIDBJRD-XGUBFFRZSA-N 314.393 -0.135 30 20 DBED C=CCN1CC[C@@H](NC(=O)c2cccn3nnnc23)[C@H](O)C1 1090294301 CEKWARJICURWOD-VXGBXAGGSA-N 302.338 -0.525 30 20 DBED COC[C@H](C)C(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1O 1090388005 RNEPIOSPCJCJFT-MVWJERBFSA-N 305.338 -0.704 30 20 DBED Cn1nnc2c(C(=O)N[C@H]3CCN(CC#N)C[C@H]3O)ccnc21 1090524335 YTQCBBDUDKNUDT-WDEREUQCSA-N 315.337 -0.948 30 20 DBED C=CCN1CC[C@@H](NC(=O)Cn2nnnc2C(C)C)[C@@H](O)C1 1090632656 JNVRNXAUZVKNKZ-NEPJUHHUSA-N 308.386 -0.466 30 20 DBED C=CCCn1cc(C(=O)N[C@@H]2CCN(CCF)C[C@H]2O)nn1 1090637892 MKOWKYYXWWBZRH-DGCLKSJQSA-N 311.361 -0.011 30 20 DBED Cc1nc2nccc(C(=O)N[C@H]3CCN(CC#N)C[C@@H]3O)n2n1 1090724439 JIDSBWRKCSCPOR-JQWIXIFHSA-N 315.337 -0.879 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2cccc(C(N)=O)n2)[C@@H](O)C1 1090839356 KZCCJRPNCYZXQU-RISCZKNCSA-N 316.361 -0.631 30 20 DBED C[C@H](NC(N)=O)C(=O)NC[C@H]1C[C@H](Nc2nccnc2C#N)C1 1091454399 LDCADNKDNNIIGT-GUBZILKMSA-N 317.353 -0.288 30 20 DBED Cc1nsc(N2CCO[C@@](C)(CNC(=O)C(N)=O)C2)c1C#N 1092775173 QNYAUOWQZICSCW-ZDUSSCGKSA-N 323.378 -0.480 30 20 DBED N#Cc1nccnc1N1CCN(C(=O)CCNC(N)=O)CC1 1093155783 QJPAPRZRIWPRCG-UHFFFAOYSA-N 303.326 -0.945 30 20 DBED N#Cc1nccnc1N1CCN(C(=O)C(=O)NCC2CC2)CC1 1093170046 RVRLUBZGHYLSFG-UHFFFAOYSA-N 314.349 -0.477 30 20 DBED CC(=O)N(C)CC(=O)NC1[C@@H]2CN(c3ccc(C#N)nn3)C[C@@H]12 1093218635 WQTVQKPSQKVGCY-VXGBXAGGSA-N 314.349 -0.623 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@@H]2CN(c3ccc(C)nn3)C[C@@H]12 1093267300 WNLUHUFADUMNGI-VXGBXAGGSA-N 313.361 -0.525 30 20 DBED NC(=O)CN1CC(OC2CCN(C(=O)C#CC3CC3)CC2)C1 1093534477 UVDOWEZHFYYEBV-UHFFFAOYSA-N 305.378 -0.423 30 20 DBED C=C[C@](C)(O)CC(=O)NCCNc1nc(O)c2cnn(C)c2n1 1093572456 RHNTYINCRXCNBL-AWEZNQCLSA-N 320.353 -0.076 30 20 DBED Cc1cc(C#N)nc(NCCNC(=O)[C@H]2CCCS2(=O)=O)n1 1093669918 KCPLBQLJUVLRIH-LLVKDONJSA-N 323.378 -0.238 30 20 DBED CC(=O)N1CC[C@@](C)(C(=O)NCCN=c2cc[nH]c(C#N)n2)C1 1093849904 QLYUTPMSOBXLJL-OAHLLOKOSA-N 316.365 -0.443 30 20 DBED Cc1cc(C(=O)NCc2cn(C3CN(CC#N)C3)nn2)on1 1094274678 RJYKQSVMNZFESY-UHFFFAOYSA-N 301.310 -0.115 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)[C@H]3CCCC(=O)N3)CC2=O)C1 1094747268 NKHLCIWXIFUFIW-DGCLKSJQSA-N 320.393 -0.758 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)c3cnc(O)n3C)CC2=O)C1 1094770588 FAMAZXKMOMJTHJ-JTQLQIEISA-N 319.365 -0.673 30 20 DBED C=CCOCC(=O)NCCCN(C)c1ncnc2c1nnn2C 1095492748 RXCLWXRQMGYLAM-UHFFFAOYSA-N 319.369 -0.097 30 20 DBED CCN(CCCNC(=O)Cn1ncnn1)c1cncc(C#N)n1 1095925293 OTHLEMUABSYTLT-UHFFFAOYSA-N 315.341 -0.632 30 20 DBED N#Cc1cnc(N2CCC[C@H](NC(=O)CCNC(N)=O)C2)cn1 1096180655 KUXHTVKXFSNSJF-JTQLQIEISA-N 317.353 -0.508 30 20 DBED N#Cc1ccc(N2CC[C@H](NC(=O)CCCC(N)=O)C2)nn1 1096391283 FWINHDKXIWKLJX-NSHDSACASA-N 302.338 -0.301 30 20 DBED CC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cn1cnc(C(N)=O)n1 1097105994 LMQWGGKGXFNZKE-UTUOFQBUSA-N 316.365 -0.878 30 20 DBED CCNC(=O)CC(=O)N[C@H]1C[C@@H](Nc2cncc(C#N)n2)C1 1097175881 HUQSNQLQUPDEEW-AOOOYVTPSA-N 302.338 -0.066 30 20 DBED CCN1CCO[C@@H](C(=O)NC[C@H](C)Nc2ccc(C#N)nn2)C1 1097874229 DXSVOPXPALXGOT-WCQYABFASA-N 318.381 -0.014 30 20 DBED C[C@@H](CNC(=O)C[C@H]1CCNC1=O)N=c1cc[nH]c(C#N)n1 1098097630 JMCZLUWVIKRTLT-VHSXEESVSA-N 302.338 -0.787 30 20 DBED C[C@H]1CN(C(=O)[C@H]2CCC(=O)N2)CC2(CCN(CC#N)CC2)O1 1098577437 DIZDKVJJGJZXEU-QWHCGFSZSA-N 320.393 -0.130 30 20 DBED C[C@@H](CCNC(=O)[C@H]1CC(=O)N(C)C1)N=c1cc[nH]c(C#N)n1 1099748522 YHQDRGIPSGLDRI-QWRGUYRKSA-N 316.365 -0.445 30 20 DBED N#Cc1nccnc1N1CCC[C@@H]1CCCNC(=O)C(N)=O 1099875346 AEYHCBSTEJRHGC-JTQLQIEISA-N 302.338 -0.301 30 20 DBED Cn1nccc1COCC(=O)N[C@H]1CCN(CC#N)C[C@@H]1O 1099890211 ONNTXTPDPQWCSV-STQMWFEESA-N 307.354 -0.988 30 20 DBED COCC#CCN1CC[C@H](NC(=O)C(C)(C)COC)[C@H](O)C1 1099919456 ZWPRMHHODIYXLX-UONOGXRCSA-N 312.410 -0.140 30 20 DBED CC#CCN1CC[C@H](NC(=O)CCc2nccn2C)[C@@H](O)C1 1099929509 ZRXMMLVBTHAJAC-KBPBESRZSA-N 304.394 -0.073 30 20 DBED N#CCN1CC[C@@H](NC(=O)CCCCc2cnn[nH]2)[C@@H](O)C1 1099933669 SAUUZTYJCXMXJR-OLZOCXBDSA-N 306.370 -0.408 30 20 DBED CC1(C(=O)N[C@@H]2CCN(CC(=O)NCC#N)C[C@@H]2O)CCCC1 1099935456 OBIQSQBOYANNLC-OLZOCXBDSA-N 322.409 -0.242 30 20 DBED C#CCN1CC[C@H](NC(=O)CCOC2CCOCC2)[C@H](O)C1 1100072435 VOBVKVYZFSYULQ-LSDHHAIUSA-N 310.394 -0.243 30 20 DBED N#CCN1CC[C@@H](NC(=O)CNC(=O)c2ccccc2)[C@H](O)C1 1100083475 SUCPNJUCLUKYEX-ZIAGYGMSSA-N 316.361 -0.509 30 20 DBED CN(CCNC(=O)CC1CS(=O)(=O)C1)c1cnc(C#N)cn1 1100219956 VIRWEXPDQZONQI-UHFFFAOYSA-N 323.378 -0.665 30 20 DBED CN(CCNC(=O)[C@H]1CCC(=O)N1C)c1cnc(C#N)cn1 1100280080 SBPJNYGUXDOCLW-LLVKDONJSA-N 302.338 -0.479 30 20 DBED CN(CCNC(=O)c1cccc(=O)n1C)c1cncc(C#N)n1 1100318715 BLHSHMRBSWFGCQ-UHFFFAOYSA-N 312.333 -0.087 30 20 DBED CCN(CCNC(=O)[C@@H]1CCNC1=O)c1nc(C)cc(C#N)n1 1100694704 JKRXHXSSSNOYOG-GFCCVEGCSA-N 316.365 -0.265 30 20 DBED CC(C)[C@@H](O)C(=O)N1C[C@H]2CN(CC(=O)NCC#N)C[C@@]2(C)C1 1101219858 DLTUQIARMUHOJP-XPKDYRNWSA-N 322.409 -0.577 30 20 DBED CN(CCNc1ccc(C#N)nn1)C(=O)[C@H]1CCS(=O)(=O)C1 1101848649 DLJBRSLIACXIFP-JTQLQIEISA-N 323.378 -0.347 30 20 DBED CC(C)N(CCCNC(=O)CNC(N)=O)c1nccnc1C#N 1102077881 VEJUMNNWPVWXDL-UHFFFAOYSA-N 319.369 -0.262 30 20 DBED CNC(=O)CC(=O)N1CCC[C@@H]1CNc1cncc(C#N)n1 1103804468 ODXRCAIPMRRPLL-LLVKDONJSA-N 302.338 -0.113 30 20 DBED C[C@H](CNc1nccnc1C#N)N(C)C(=O)Cn1cnnc1O 1104526920 MJSUAHJLKSLHCL-SECBINFHSA-N 316.325 -0.396 30 20 DBED CN(CCN(C)c1nccnc1C#N)C(=O)Cn1nccn1 1105483509 QQDGSELVHUXLSF-UHFFFAOYSA-N 300.326 -0.465 30 20 DBED CC[C@H](OC)C(=O)NC[C@@H](O)CNc1nc(C)cc(C#N)n1 1105779964 MNEWCUIPKXQFDQ-NEPJUHHUSA-N 307.354 -0.029 30 20 DBED Cc1nonc1C(=O)NC[C@@H](O)CNc1ccc(C#N)nc1 1105884802 QVRJPWSXFGCIRT-NSHDSACASA-N 302.294 -0.153 30 20 DBED Cc1cc(=NC[C@H](O)CNC(=O)c2cnon2)c(C#N)c[nH]1 1105927580 BCQHXEWIKJWMHL-JTQLQIEISA-N 302.294 -0.731 30 20 DBED Cn1cncc1C(=O)NC[C@H](O)CNc1ccc(C#N)cn1 1106010749 FIXQFHWQXHQSPM-LLVKDONJSA-N 300.322 -0.110 30 20 DBED C[C@H](CCNc1nccnc1C#N)NC(=O)[C@@H]1CN(C)C(=O)N1 1106519396 KSHCHBLGFRDLGW-KOLCDFICSA-N 317.353 -0.321 30 20 DBED C=CCCN1CC(n2cc(CNC(=O)CNC(C)=O)nn2)C1 1107117060 MTPSKKUGNZNCIO-UHFFFAOYSA-N 306.370 -0.537 30 20 DBED N#Cc1cnc(NC/C=C\CNC(=O)[C@@H]2CNC(=O)N2)cn1 1107490088 RIZPRVBLADAIJO-SYBPUXJVSA-N 301.310 -0.886 30 20 DBED COCC#CCN1CCO[C@@](C)(CNC(=O)[C@H]2CCCN2C)C1 1107816801 IATMMJJGLSPMET-WBVHZDCISA-N 323.437 -0.063 30 20 DBED C#CCOCCC(=O)N[C@H](C)CN=c1cc[nH]c(C(=O)OC)n1 1107940608 JMEHDDQKBSKXJW-LLVKDONJSA-N 320.349 -0.358 30 20 DBED C[C@@]1(CNC(=O)c2cc(C(N)=O)ccn2)CN(CC#N)CCO1 1108448891 DPFWHHIGJMLYAW-OAHLLOKOSA-N 317.349 -0.475 30 20 DBED C[C@@H](CN(C)c1ccc(C#N)nn1)NC(=O)c1cc(=O)n(C)o1 1108917685 LJTNQZWVMIJTMK-VIFPVBQESA-N 316.321 -0.105 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1ccnn1C 1109025776 XIESWEWHQDSICD-AGIUHOORSA-N 315.377 -0.495 30 20 DBED CN(CCCNc1cnc(C#N)cn1)C(=O)[C@@H]1CNC(=O)N1 1109598925 RAUKVXGSEYUKIQ-JTQLQIEISA-N 303.326 -0.710 30 20 DBED C=CCOCC(=O)NC[C@@]1(O)CCN(c2nccnc2F)C1 1111039875 RGEQZXRVOOQYRS-AWEZNQCLSA-N 310.329 -0.124 30 20 DBED CO[C@@H](C)CC(=O)NC[C@@]1(O)CCN(c2ccc(C#N)nn2)C1 1111045023 ALGTYMBRDVKPDQ-NHYWBVRUSA-N 319.365 -0.169 30 20 DBED CN(C)CCC(=O)N(C)[C@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1111197702 MVFPUMJNRYXORQ-STQMWFEESA-N 318.381 -0.692 30 20 DBED CNC(=O)NCC(=O)N1C[C@H](C)[C@H](N=c2cc[nH]cc2C#N)C1 1112340601 OOXFFRCELDVTAQ-GXFFZTMASA-N 316.365 -0.437 30 20 DBED C[C@H](NC(=O)c1cn(C)nn1)[C@@H](C)N=c1cc[nH]c(C#N)n1 1113002263 UJRQEDPRSGHXCG-BDAKNGLRSA-N 300.326 -0.482 30 20 DBED C[C@@H](NC(=O)c1nnn(C)n1)[C@@H](C)Nc1nccnc1C#N 1113258296 CZGJKMYVAVXJKV-HTQZYQBOSA-N 301.314 -0.509 30 20 DBED C[C@@H](CNC(=O)[C@H]1COCCN1C)N(C)c1cncc(C#N)n1 1113561069 RRTIRZUUNIMNNP-WCQYABFASA-N 318.381 -0.380 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1)N(C)c1nccnc1C#N 1113672553 MFQQHFWSBGXJOF-UWVGGRQHSA-N 302.338 -0.432 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)c3cccn3C)[C@H]2C1 1113866959 IWNKACCLJBVLDM-RMRHIDDWSA-N 314.389 -0.177 30 20 DBED C[C@H](CNC(=O)[C@@H]1CC(=O)N(C)C1)N(C)c1ccc(C#N)nn1 1113943759 MZTZREKUYIAIPK-GHMZBOCLSA-N 316.365 -0.233 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)c3ccon3)[C@H]2C1 1113950937 QISMBXHXXGULID-DCQANWLSSA-N 302.334 -0.528 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1[C@@H]2CN(CC(=O)NC(=O)NC3CC3)C[C@@H]21 1114066528 DKMZLLDZYWOIIG-MVVXRAEJSA-N 319.365 -0.819 30 20 DBED CC#CCN1C[C@@H]2C(NC(=O)CCc3nnc(O)nc3O)[C@H]2C1 1114512935 JOJBBMLENVYRNB-UWVGGRQHSA-N 317.349 -0.715 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)c3cc(F)c[nH]3)[C@H]2C1 1114581253 CBJUNZQQUNYUDH-PQFRYHKHSA-N 318.352 -0.048 30 20 DBED CN1CCCC[C@H]1C(=O)NC1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]12 1114702172 WKLHPILZPMFKQO-UPJWGTAASA-N 319.409 -0.843 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)C[C@@H]3CCN(C)C3)[C@H]2C1 1115128405 LFFTYSGVDOZSCT-SZOQZIPDSA-N 320.437 -0.323 30 20 DBED C=C(C)CCN1C[C@H]2[C@H](NC(=O)CC[C@H]3NC(=O)NC3=O)[C@H]2C1 1115217103 ODBYCPKTDHHUBT-CZXHOFHRSA-N 320.393 -0.013 30 20 DBED C=CCCOCC(=O)N[C@H]1[C@@H]2CN([C@H]3CCC(=O)NC3=O)C[C@@H]21 1115330992 YCCYIAFAFGIXJJ-OZTPJHRESA-N 321.377 -0.569 30 20 DBED CC(=O)NCC(=O)NCCOCCCNc1ccc(C#N)nn1 1115375416 AJBBSKRKRAILER-UHFFFAOYSA-N 320.353 -0.581 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N(C)Cc2ncc[nH]2)C1=O 1118951187 SIZJNJNBTWAUKZ-NSHDSACASA-N 319.365 -0.387 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](CO)Nc1cc(-n2ccnc2)ncn1 1121213766 UDBFFRZYVJXJGK-MNOVXSKESA-N 315.337 -0.289 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@H](CO)Nc1nccc(OC)n1 1121404468 GKNFHQPYEJQGKE-YGRLFVJLSA-N 310.354 -0.299 30 20 DBED Cc1cc(C#N)nc(N[C@@H](CO)CNC(=O)c2[nH]cnc2C)n1 1121724659 SNNHZGANRNBIQC-LLVKDONJSA-N 315.337 -0.109 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@H](CO)Nc1ncccn1 1122037147 UMACYBWJYCEWEC-OLZOCXBDSA-N 321.381 -0.164 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)Cc2cscn2)nn1 1122651788 FQUMLVZIJSAGIQ-LLVKDONJSA-N 318.362 -0.064 30 20 DBED CN(CC(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1)C1CCC1 1122740555 IDEMOCJRLKZBFH-LLVKDONJSA-N 318.381 -0.857 30 20 DBED C[C@@H]1[C@@H](N=c2cc[nH]cc2C#N)CCN1C(=O)CNC(N)=O 1122929706 GUUQDXCCZNTODY-KOLCDFICSA-N 302.338 -0.555 30 20 DBED C[C@@H]1C[C@@H](N=c2cc[nH]cc2C#N)CN1C(=O)CNC(N)=O 1123145974 IIMCUQCPPYNPEK-MWLCHTKSSA-N 302.338 -0.555 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)c1cc(C)[nH]n1 1124233531 LAZKGVASYGSSPF-UHFFFAOYSA-N 308.342 -0.951 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C[C@H](O)CNc1nccnc1F 1124520387 SDFNSWGYNYPGQV-GHMZBOCLSA-N 310.329 -0.115 30 20 DBED C[C@H](C#N)C(=O)N(C)C[C@H](O)CN(C)c1ccnc(C#N)n1 1124988577 LGNSQSMZKYLERX-GHMZBOCLSA-N 302.338 -0.237 30 20 DBED CN(C[C@H](O)CN(C)c1cccc(F)c1C#N)C(=O)CC(N)=O 1125023744 GUEKLKVOKSUSMX-SNVBAGLBSA-N 322.340 -0.172 30 20 DBED C#CCNC(=O)CC(=O)NCCNCc1ccnc(OC)c1 1125978416 QTGCDZJMSWTRGK-UHFFFAOYSA-N 304.350 -0.565 30 20 DBED COCC#CCNCCNC(=O)[C@@H]1CCCN1C1CCOCC1 1129362570 ADRPVAIEFSIOOT-INIZCTEOSA-N 323.437 -0.015 30 20 DBED COCCCOCC(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1 1129381637 OEKNBUVXTSPBCT-OLZOCXBDSA-N 322.369 -0.804 30 20 DBED COCC#CCNCCNC(=O)c1ccc2c(c1)nnn2C 1130274802 FADINTQLGZTTDY-UHFFFAOYSA-N 301.350 -0.063 30 20 DBED C=CCCN1C[C@@H](F)C[C@@H]1c1n[nH]c(CNC(=O)CC(N)=O)n1 1131147515 ZVMSQBZFBLUYLP-VHSXEESVSA-N 324.360 -0.043 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1cccc2oc(O)nc12 1131405476 NIGMQCZJOQIUDD-UHFFFAOYSA-N 317.305 -0.507 30 20 DBED C#CCN1CC[C@]2(C1)CN(C(=O)CC(=O)N(C)C)C[C@H](C)O2 1131691824 AKSIRMBPOWGHPB-BBRMVZONSA-N 307.394 -0.210 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)[C@@H]2CCNC(=O)CC2)C1=O 1131844473 IPJNNHUGXGWPDP-STQMWFEESA-N 322.409 -0.605 30 20 DBED C#CCNC(=O)CN1C[C@H](NC(=O)c2cncnc2)CC[C@H]1C 1131972713 USMVNKDTIHELCB-TZMCWYRMSA-N 315.377 -0.191 30 20 DBED C#CCCN1C[C@H](NC(=O)CNS(=O)(=O)CC)CC[C@H]1C 1132086569 HQEZBQURTVPLJW-CHWSQXEVSA-N 315.439 -0.082 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1occc1CN(C)C 1132985542 IICRORLDOHDHET-GFCCVEGCSA-N 320.393 -0.202 30 20 DBED C=C(C)CN(CC)C(=O)[C@H](C)NCCNC(=O)[C@H]1C[C@H]1C(N)=O 1133946807 IFMZTGJWHIRGMD-XQQFMLRXSA-N 324.425 -0.373 30 20 DBED C[C@H](C[C@@H](C)NC(=O)C(C)(C)C(N)=O)NCC(=O)NCC#N 1134657496 KVEVSMNLSPHISL-NXEZZACHSA-N 311.386 -0.989 30 20 DBED C#CCCN[C@H](C)C[C@H](C)NC(=O)CS(=O)(=O)CCOC 1134764474 OEIYLBYZSKTQFS-OLZOCXBDSA-N 318.439 -0.056 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)c1csnn1 1135101786 RCNHQSNDWAUEJA-VHSXEESVSA-N 309.395 -0.226 30 20 DBED C#CCNC(=O)CNCCNC(=O)CCc1scnc1C 1146302338 SJUJWJGYOQAYGI-UHFFFAOYSA-N 308.407 -0.161 30 20 DBED COC[C@H](C)C(=O)N1CC2(CCN(CC(=O)NCC#N)C2)C1 1147206806 WXXGSQHNFVLHGH-LBPRGKRZSA-N 308.382 -0.557 30 20 DBED CO[C@H](C(=O)N1CC2(CCN(CC(=O)NCC#N)C2)C1)C1CC1 1147445948 OJQZWCPWIHENQC-AWEZNQCLSA-N 320.393 -0.415 30 20 DBED C#CCCN1CCCO[C@@H](CNC(=O)CS(C)(=O)=O)C1 1149375819 TYYARRVQIGGQBK-LBPRGKRZSA-N 302.396 -0.739 30 20 DBED COCC#CCN1CCCO[C@@H](CNC(=O)C2(C(N)=O)CC2)C1 1150253597 DKEQLRGTTKLMFC-ZDUSSCGKSA-N 323.393 -0.891 30 20 DBED CNC(=O)CN1CCC(CCOC)(NC(=O)[C@@H](C)C#N)CC1 1151021496 VMRZLESSLZYOBR-LBPRGKRZSA-N 310.398 -0.121 30 20 DBED C=CCNC(=O)CNCCCNC(=O)c1cnn(C)c1CC 1161746116 CLWMCCFCENCNCI-UHFFFAOYSA-N 307.398 -0.006 30 20 DBED C=CCn1cc(C(=O)NCCCNCCn2cncn2)nn1 1167838986 PSCCQNIPNKNLGX-UHFFFAOYSA-N 304.358 -0.535 30 20 DBED C[C@@H](CCCCNCC(=O)NCC#N)NC(=O)[C@H]1CCCN1C 1169798434 PBNFMJDFJWKCMO-UONOGXRCSA-N 323.441 -0.015 30 20 DBED C#CCNC(=O)[C@H](C)NCCCC[C@@H](C)NC(=O)c1cnn[nH]1 1171652401 UZDBIPYDAJORGO-NEPJUHHUSA-N 320.397 -0.179 30 20 DBED C#CCNC(=O)CNCCCC[C@H](C)NC(=O)Cc1cnc[nH]1 1175460132 CPNSPQLOFALEBS-ZDUSSCGKSA-N 319.409 -0.034 30 20 DBED C=C(C)CCNCCCNC(=O)CN1CCS(=O)(=O)CC1 1176026644 NBVNBENKJNOZBE-UHFFFAOYSA-N 317.455 -0.221 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)CNC(=O)C1CCC1 1176916810 UBFKMJZCRSIFFN-LBPRGKRZSA-N 324.425 -0.311 30 20 DBED C[C@H]1[C@@H](NCC#N)CCN1C(=O)CNC(=O)c1cccnc1 1179573784 OAOYTCUZRHEFIB-AAEUAGOBSA-N 301.350 -0.086 30 20 DBED C#CCNC(=O)CNC[C@]1(C)CN(C(=O)[C@@H](C)OC)C[C@H]1C 1180764736 JPDSEHORKSWRMC-XJKCOSOUSA-N 309.410 -0.155 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)C(=O)C(C)(C)C)C1 1181716496 NEOHOXSIECNKDK-NWDGAFQWSA-N 307.394 -0.070 30 20 DBED CC(C)C#CC(=O)N1CC[C@@H](CNCC(=O)NC(N)=O)[C@H](C)C1 1184358017 SFWTXPNNCRMCIX-OLZOCXBDSA-N 322.409 -0.085 30 20 DBED CC(C)n1ccc(C(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)n1 1186008999 ULSNEIMFQGQIMD-GFCCVEGCSA-N 318.381 -0.092 30 20 DBED COCC#CCN1C[C@@H]2CCN(C(=O)c3cnc(O)n3C)[C@@H]2C1 1188777036 KAKHKIGXIYATMJ-GXTWGEPZSA-N 318.377 -0.078 30 20 DBED C=CCCCN(C)[C@@H]1CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)C1 1192696859 YFLJUIAILGPYFL-KGLIPLIRSA-N 324.425 -0.135 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)C#CC(C)C)C1 1192805273 WGDAJODIRFZOKZ-MGPQQGTHSA-N 307.394 -0.502 30 20 DBED C=CC(C)(C)CC(=O)N[C@@H]1CN([C@H]2CCC(=O)NC2=O)C[C@H]1O 1193337025 GIHWCEABUFXBTL-GRYCIOLGSA-N 323.393 -0.445 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 1196163055 GNCQCDOKWHERMK-MRXNPFEDSA-N 320.437 -0.390 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)CNC(=O)CC(C)(C)C)C1 1198793108 OFILDVFVYKUORZ-CHWSQXEVSA-N 309.410 -0.277 30 20 DBED N#CCNC[C@@H]1CN(C(=O)c2cnc3[nH]nnc3c2)CCCO1 1200696630 SHYCPPJLBHAZKM-LLVKDONJSA-N 315.337 -0.303 30 20 DBED CC#CCNC[C@H]1CN(C(=O)CCc2cn(C)nn2)CCCO1 1202236190 QUOKZHDUKVCVSH-HNNXBMFYSA-N 319.409 -0.022 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)CC[C@H]1CCOC1 1206864576 NMFDETAVSQHNMA-HZSPNIEDSA-N 322.409 -0.121 30 20 DBED C[C@@H]1CN([C@H](C)C(=O)NC(N)=O)C[C@H]1NC(=O)C#CC1CC1 1206953185 VRAYPLOLOYBGHG-CKYFFXLPSA-N 306.366 -0.580 30 20 DBED CCNC(=O)NC(=O)CN[C@H]1CCCN(C(=O)[C@H](C)C#N)C1 1207687477 FZIORISHSIBQRH-MNOVXSKESA-N 309.370 -0.428 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)COCCOC)C1 1207693339 PAXBVNGMIORHNS-ZDUSSCGKSA-N 313.398 -0.468 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2COCCN2C)C1 1207830162 XKEIHSWBTIJUAE-KGLIPLIRSA-N 324.425 -0.800 30 20 DBED C=CCn1cc(C(=O)N2CCC[C@H](NCC(=O)N(C)C)C2)nn1 1210008938 CBAAQGBFXCFMKL-LBPRGKRZSA-N 320.397 -0.254 30 20 DBED CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1C 1214338571 TUBNFJCCNWSSNR-GMTAPVOTSA-N 309.370 -0.572 30 20 DBED CC#CCN[C@@H]1CN(C(=O)CNC(=O)C2CCOCC2)C[C@H]1C 1215986014 WVQQKRUNBFWBEY-UKRRQHHQSA-N 321.421 -0.011 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)c2oc(C)nc2C)C1 1219413719 BFYGMQQIQILEIX-OLZOCXBDSA-N 307.350 -0.284 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(Cc2ncc(C)cn2)C[C@@H]1O 1219535563 BPMIDPWAAAQMDU-WWGRRREGSA-N 320.393 -0.227 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)c2ocnc2C2CC2)C1 1220349530 VGOSGXMXFWRBND-OLZOCXBDSA-N 319.361 -0.023 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](NC(=O)CS(=O)(=O)N(C)C)C1 1220879512 USJZTSVHXBUTSD-NEPJUHHUSA-N 319.427 -0.995 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)CCCc2nc(CC)no2)C1 1220973335 HWBRMUAKZYLHCO-NEPJUHHUSA-N 306.366 -0.251 30 20 DBED Cc1cc(C(=O)NC2CCN(CC(=O)NCC#N)CC2)no1 1225953901 KMAMZPVZRVJBBG-UHFFFAOYSA-N 305.338 -0.183 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)c2n[nH]cc2F)CC1 1229048897 OWAYCWTWILMXAM-UHFFFAOYSA-N 307.329 -0.508 30 20 DBED C=C(C)CN1CCS(=O)(=O)[C@@H](CCNC(=O)COC)C1 1230396506 OSAXRSYILXQQBU-LBPRGKRZSA-N 304.412 -0.186 30 20 DBED C=CCCC(=O)NCC[C@@H]1CN(CC(N)=O)CCS1(=O)=O 1230437201 WSNUJCKTDUYPJZ-LLVKDONJSA-N 317.411 -0.957 30 20 DBED CN(C)CCC(=O)NCC[C@@H]1CN(CC#N)CCS1(=O)=O 1230494306 JRPSPXMOALBGHQ-GFCCVEGCSA-N 316.427 -0.933 30 20 DBED Cc1cn(C)nc1C(=O)N(C)C[C@@H]1CCN1CC(=O)NCC#N 1234143447 ZNBUHCIKZSOLBL-LBPRGKRZSA-N 318.381 -0.485 30 20 DBED CNC(=O)NC(=O)[C@@H](C)N1CC[C@@H]1CN(C)C(=O)C#CC1CC1 1234194872 HKLBTDHDEOGYPN-DGCLKSJQSA-N 320.393 -0.223 30 20 DBED C#CCNC(=O)CN(C)CCCNC(=O)[C@H](C)n1cccn1 1234261963 RSXASBXAVISOPC-ZDUSSCGKSA-N 305.382 -0.368 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C[C@@H]1CCN1Cc1cn(C)nn1 1234266764 UDGCFSCECDEBSH-OCCSQVGLSA-N 305.382 -0.114 30 20 DBED C#CC[C@H](CO)NC(=O)c1ccc(CNS(C)(=O)=O)o1 1261251957 RLAHNHMVSQUNTA-SECBINFHSA-N 300.336 -0.557 30 20 DBED Cn1cc(C(=O)N[C@H]2CCCN(O)C2=O)c(=O)c2cnn(C)c21 1261550343 VOTJBBKKPDOLNC-JTQLQIEISA-N 319.321 -0.618 30 20 DBED C#CCCN1CCC[C@H](NC(=O)CCS(=O)(=O)N(C)C)C1 1317994364 PZXKEPNKQVAAQS-ZDUSSCGKSA-N 315.439 -0.128 30 20 DBED CC1=CC(=O)[C@@H](C(=O)/C=C/c2cn(CC(=O)O)nn2)C(=O)O1 1319624151 WEHCLFXPOIKMNG-QAVQXKDTSA-N 305.246 -0.409 30 20 DBED C=CCNC(=O)CNC(=O)N1CCC(NC(=O)COC)CC1 1320668947 BSHCHOVCQVAFRT-UHFFFAOYSA-N 312.370 -0.775 30 20 DBED C=C[C@@H](COC)NC(=O)NC[C@H]1CCCN1S(C)(=O)=O 1320970279 KCTFPDNBSAIENF-WDEREUQCSA-N 305.400 -0.089 30 20 DBED C=CCN(C(=O)C(=O)NCCS(=O)(=O)NCC)C(C)C 1322578523 LWUHKKCJYGGRRI-UHFFFAOYSA-N 305.400 -0.535 30 20 DBED C[C@H](NC(=O)C(=O)NCc1cccc(C#N)c1)C(=O)N(C)C 1323503849 BLTYPZFLINCNFU-JTQLQIEISA-N 302.334 -0.233 30 20 DBED C#CCC[C@@H](O)CNC(=O)Cn1nc2n(c1=O)CCCCC2 1327007882 FFQKVGJTBJVRJW-GFCCVEGCSA-N 306.366 -0.338 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N=c1ccnc2n(C)[nH]cc1-2 1329087461 WDANGMIHOGVCCT-SECBINFHSA-N 303.322 -0.403 30 20 DBED COCC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)CC1 1329220201 YAMGTONRMPQQAU-NWDGAFQWSA-N 322.365 -0.888 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)NCc1nn(CC)nc1C 1331053995 NBLHHIZHAJCLJL-UHFFFAOYSA-N 321.381 -0.279 30 20 DBED CCC[C@@]1(CO)CCCN1C(=O)C(=O)N1CCO[C@@H](C#N)C1 1331250791 CUZBZRKRMNLRIF-WFASDCNBSA-N 309.366 -0.109 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CCC(C)(N)CC2)nn1 1331949928 LEEDIGOQFGJAFG-UHFFFAOYSA-N 306.370 -0.580 30 20 DBED COC(=O)[C@@H]1C[C@H](O)CN(C(=O)C(=O)NCCCCC#N)C1 1332219845 ZADOZYNULFGECF-MNOVXSKESA-N 311.338 -0.821 30 20 DBED C#CCOCCC(=O)NS(=O)(=O)c1cnc(Cl)n1C 1332606280 COPAPBZEDXSQEW-UHFFFAOYSA-N 305.743 -0.082 30 20 DBED C=CCSCCNC(=O)C(=O)N[C@H]1CS(=O)(=O)C[C@H]1C 1333775380 QPBDBOMDEJZDMX-ZJUUUORDSA-N 320.436 -0.429 30 20 DBED C=CCn1c([C@@H](C)O)nnc1N1CCN(CC(=O)NCC)CC1 1340435968 MTKPDROBTXWXHJ-GFCCVEGCSA-N 322.413 -0.225 30 20 DBED C=CCNC(=O)Cn1nnnc1N1CCO[C@@H](COCC)C1 1343875549 SRFQOOZSBNGFAL-LLVKDONJSA-N 310.358 -0.783 30 20 DBED C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CCO1 1352329744 KOJZYAYHHKJDIB-BZPMIXESSA-N 320.393 -0.131 30 20 DBED C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CCO1 1352329746 KOJZYAYHHKJDIB-DYEKYZERSA-N 320.393 -0.131 30 20 DBED CN(C[C@@H](O)CN1CCOCC1)C(=O)c1ccc(C#N)n1C 1362209620 RFWCYOLDOKRMRY-CYBMUJFWSA-N 306.366 -0.338 30 20 DBED COC[C@H]1CN(C(=O)Cn2cc(C#N)c(O)nc2=O)C[C@H](C)O1 1362519683 KBQWDEGINONDMV-GXSJLCMTSA-N 322.321 -0.917 30 20 DBED CCn1cc(C(=O)N(C)C[C@@H](O)CNC(=O)[C@H](C)C#N)c(C)n1 1371012211 ZPLXJIUXHFMRIL-PWSUYJOCSA-N 321.381 -0.080 30 20 DBED COCCN(CCNC(=O)COC)C(=O)c1ccc(C#N)[nH]1 1371127739 ZQWRQCOGEOSCHQ-UHFFFAOYSA-N 308.338 -0.262 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CNC(=O)Cn2ncnn2)CC1 1372165195 GRDKDMNUZHSYSM-SNVBAGLBSA-N 305.342 -0.812 30 20 DBED C[C@H](CNC(=O)[C@@H](C)n1cncn1)NC(=O)c1cc(C#N)c[nH]1 1376830184 GKIKDGYVVZWTII-NXEZZACHSA-N 315.337 -0.026 30 20 DBED COCC(=O)NCCC(=O)NC[C@H]1CCN1C(=O)[C@H](C)C#N 1378381941 WHEURIMFFMUCTN-GHMZBOCLSA-N 310.354 -0.984 30 20 DBED CCC(=O)NCC(=O)NC[C@H](C)NC(=O)c1ccc(C#N)[nH]1 1392755954 SJVSJCHYXPRCLE-VIFPVBQESA-N 305.338 -0.353 30 20 DBED COCCN1C[C@@H](C(=O)N(C)CCNC(=O)[C@@H](C)C#N)CC1=O 1408674322 WANHJESGSLFIPZ-RYUDHWBXSA-N 324.381 -0.784 30 20 DBED C[C@H](C#N)C(=O)N(C)C[C@H]1CCN(C(=O)CS(C)(=O)=O)C1 1408987280 SUJGIRAMQQJSRB-GHMZBOCLSA-N 315.395 -0.502 30 20 DBED N#Cc1cn(CC(=O)NC[C@@H]2CN3CCC2CC3)c(=O)nc1O 1412753439 DVRQLDTXKHJVCH-GFCCVEGCSA-N 317.349 -0.721 30 20 DBED C[C@H](CCNC(=O)[C@@H]1CCC(=O)N1)NC(=O)c1c[nH]c(C#N)c1 1415412366 UICGWOXXZIVVPL-SKDRFNHKSA-N 317.349 -0.210 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCNC(=O)c1ccoc1CC(N)=O 1415597163 JNQKCXJGEKDOPV-VIFPVBQESA-N 306.322 -0.345 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@@H](CNC(=O)C2(NC(N)=O)CC2)C1 1429072635 ODPSCWSPJIBLBX-BBBLOLIVSA-N 307.354 -0.642 30 20 DBED C=C(Cl)CN1CC[C@@H]1CNC(=O)CN1CCN(C)C(=O)C1 1439527707 CUQJXSJEFSFHSZ-GFCCVEGCSA-N 314.817 -0.297 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CCCN1C(=O)c1c[nH]c(C(N)=O)c1 1449639734 VMZLNURHPLOEKK-MWLCHTKSSA-N 317.349 -0.006 30 20 DBED CC(=O)NCC(=O)N(C)C1CC(NC(=O)c2ccc(C#N)[nH]2)C1 1452176524 QRYDYGRWZBPJBN-UHFFFAOYSA-N 317.349 -0.258 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCN(C)C(=O)c1cc(=O)n(C)cn1 1457811148 OHLPLTLKLVOQOE-JTQLQIEISA-N 305.338 -0.530 30 20 DBED CC(=O)N[C@H](C)C(=O)N(C)[C@@H](C)CNC(=O)c1cc(C#N)c[nH]1 1486835241 NUMYOVHACMUZAL-VHSXEESVSA-N 319.365 -0.012 30 20 DBED C[C@H](C#N)C(=O)NC1CN(C(=O)CNC(=O)c2ccccc2)C1 1498383302 AFFYLTJEEVRSGB-LLVKDONJSA-N 314.345 -0.097 30 20 DBED CCC[C@@H](NC(N)=O)C(=O)N[C@H]1[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]21 1526232862 CGPXHFVOQWOEMT-ZIQFBCGOSA-N 321.381 -0.444 30 20 DBED N#Cc1ncc(N2CCC[C@@H](n3ccnn3)C2)nc1-c1nn[nH]n1 1570932971 ZVOMQBYFTBIBCQ-SECBINFHSA-N 323.324 -0.039 30 20 DBED Cn1c(N2C[C@@H](C(=O)O)[C@H](C3CC3)C2)c(C#N)c(=O)n(C)c1=O 1571141454 XAIFKJCVGWIFSN-WDEREUQCSA-N 318.333 -0.497 30 20 DBED CC(C)S(=O)(=O)CCNc1cnc(-c2nn[nH]n2)c(C#N)n1 1574346340 UUSOFBKYSDPAKW-UHFFFAOYSA-N 322.354 -0.237 30 20 DBED C=CCN1CCC(NC(=O)N[C@H]2CC(=O)N(C3CNC3)C2)CC1 1574936017 GCUKDDCVHCDTCP-ZDUSSCGKSA-N 321.425 -0.491 30 20 DBED CO[C@@]1(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[nH]2)CCSC1 1579595852 KKKFWHWHKPPUNR-NSHDSACASA-N 320.338 -0.078 30 20 DBED C#CCNC(=O)c1ccc(N2CCN(C)C[C@@H](C(=O)O)C2)nc1 1588485111 CGKHSYHRDGQZRL-CYBMUJFWSA-N 316.361 -0.103 30 20 DBED C=CCCCN(C)C(=O)Cn1cc(-c2nn[nH]n2)c(O)nc1=O 1588601521 PPYCXEKVUWXUTI-UHFFFAOYSA-N 319.325 -0.446 30 20 DBED N#Cc1nc(NC(=O)[C@H]2C[C@@]23CCOC3)[nH]c1-c1nn[nH]n1 1592683720 XRPNFNOHNRHXNC-SREIQFSDSA-N 300.282 -0.173 30 20 DBED COC(=O)CCN(CC(=O)O)S(=O)(=O)N(C)CCC#N 1593842287 WPROXRLKVRJAEY-UHFFFAOYSA-N 307.328 -0.974 30 20 DBED Cc1oc(S(=O)(=O)NCC(=O)NCC#N)cc1C(=O)O 1600857645 KCLQTCPVPKMFQT-UHFFFAOYSA-N 301.280 -0.796 30 20 DBED Cn1c(C=NN=c2nc3[nH][nH]cc-3c(O)n2)ccc1C(=O)O 1600912684 URMADKMYYQNQKD-UHFFFAOYSA-N 301.266 -0.085 30 20 DBED C=CCN1CC[C@@H](OC(=O)[C@H]2CCCN(CC(=O)O)C2=O)C1=O 1602723134 NVLMJGOKVWHUQH-WDEREUQCSA-N 324.333 -0.360 30 20 DBED C#CCOCCNC(=O)CNc1ccc(-c2nn[nH]n2)cn1 1602729442 RXABZXVYNMKXLU-UHFFFAOYSA-N 301.310 -0.560 30 20 DBED C=CCCC[C@@H](NS(=O)(=O)N1CCO[C@@H](C#N)C1)C(=O)O 1602869074 AHJZUYCODBSGLG-WDEREUQCSA-N 317.367 -0.145 30 20 DBED C=CCOC[C@@H](NC(=O)[C@H]1CCc2nnnn2CC1)C(=O)O 1602910363 XDQQWSJLMOPCPN-VHSXEESVSA-N 309.326 -0.602 30 20 DBED N#Cc1ccc(C(=O)N2CCS(=O)(=O)C[C@@H]2CC(=O)O)[nH]1 1608199096 RLELWDLQYCYICM-VIFPVBQESA-N 311.319 -0.400 30 20 DBED N#Cc1cnn2cc(CN3CC[C@H](S(N)(=O)=O)C3)cnc12 1647241143 ATUDXWHECJYKGS-NSHDSACASA-N 306.351 -0.536 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H]1CCCN(Cc2nnnn2C)C1 1713789383 PIEQDBDYWUWVGB-NEPJUHHUSA-N 306.370 -0.671 30 20 DBED Cc1cnn(CC(=O)NC[C@@H](NCC(=O)NCC#N)C2CC2)c1 1752451948 QJAYTMOFJLXANS-CYBMUJFWSA-N 318.381 -0.684 30 20 DBED CC1(C(=O)N[C@H]2C[C@@H](NCC(=O)NCC#N)C2)CCOCC1 1752767489 XUPUANRTEHWFHI-TXEJJXNPSA-N 308.382 -0.320 30 20 DBED C=C(Cl)CN[C@H]1C[C@@H](NC(=O)CC[C@H]2NC(=O)NC2=O)C1 1752774906 PHNZMTKUMCSEEJ-KXUCPTDWSA-N 314.773 -0.036 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCCN(C(=O)c2csnn2)C1 1752995449 UMYRFHZTNZNHFH-NSHDSACASA-N 321.406 -0.176 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@H]1CCN(CCN2CCNC2=O)C1 1753123132 SBTJSRRSAZVJPO-BBRMVZONSA-N 324.425 -0.223 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@@H](CNC(=O)c2nc(C)c[nH]2)C1 1753135354 KIBYNAAPHVBDOQ-STQMWFEESA-N 317.393 -0.092 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)CCN[C@@H]1CCN(C)C1=O 1753199788 UVQNQQLWVXAADH-KGLIPLIRSA-N 306.410 -0.637 30 20 DBED C=CCNC(=O)CNCCN(C)C(=O)[C@@H]1CCC(=O)N1C(C)C 1753222694 JYXQFSOGPUORKA-ZDUSSCGKSA-N 324.425 -0.264 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H](C)CNCC(=O)NC(N)=O)cc1 1753626559 QLMKFWALUKHJQP-NSHDSACASA-N 316.361 -0.182 30 20 DBED C=CCNC(=O)CNCC[C@H](C)NC(=O)c1cccc(=O)n1C 1753998618 UXEAYPAIYDXQSB-LBPRGKRZSA-N 320.393 -0.215 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@@H](C)NC(=O)C(C)(C)c1cnc[nH]1 1754249348 NEZGVILRPARHDQ-VXGBXAGGSA-N 319.409 -0.081 30 20 DBED C#CCNC(=O)CN1CCC(C)(NC(=O)CN2CCCC2)CC1 1754630754 BKYXUXZIMPLDNH-UHFFFAOYSA-N 320.437 -0.198 30 20 DBED C#CCN(C(=O)C(N)=O)C1CCN(Cc2ocnc2C)CC1 1754639940 BFJYRHFFULIALP-UHFFFAOYSA-N 304.350 -0.105 30 20 DBED C[C@]1(NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)CCN(CC#N)C1 1754684417 ZTBPLTGQPMVKPL-AWEZNQCLSA-N 315.337 -0.825 30 20 DBED CC(C)CN1C[C@@H](C(=O)NC[C@]2(O)CCN(CC#N)C2)CC1=O 1754753318 DECKYOUKIKEABE-XJKSGUPXSA-N 322.409 -0.433 30 20 DBED N#CCNC(=O)CN1CC(O)(CNC(=O)[C@@H]2CC[C@@H]3C[C@H]3C2)C1 1754769473 BFDMTEIXECCBNV-UPJWGTAASA-N 320.393 -0.775 30 20 DBED C=CCCCN1CC(O)(CNC(=O)Cn2ccc(O)nc2=O)C1 1754770428 JYFDJEZGMADWCD-UHFFFAOYSA-N 322.365 -0.922 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC2(CN(C(=O)C(F)F)CCO2)C1 1755048425 YBKJPDSPPVGOKM-SNVBAGLBSA-N 317.336 -0.145 30 20 DBED C#CCNC(=O)CN[C@H]1CN(C(=O)c2nccn2CC)C[C@H]1C 1755109513 WJZXLRUKGLCJEK-OLZOCXBDSA-N 317.393 -0.298 30 20 DBED C=C(C)CN[C@H](CO)CNC(=O)c1ccc2nnc(O)n2c1 1755641802 JBKZBNBSHVUETQ-NSHDSACASA-N 305.338 -0.309 30 20 DBED C#CCCN[C@H](CO)CNC(=O)C[C@H]1CCCS(=O)(=O)C1 1755644038 WDITXQUMQNPBRR-OLZOCXBDSA-N 316.423 -0.709 30 20 DBED CC#CCN[C@H](CO)CNC(=O)[C@H]1CCc2nnc(C)n2C1 1755646714 BVMPXGHRYXDHRU-STQMWFEESA-N 305.382 -0.761 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@@H](C)N(C(=O)c2ccn(C)c2)C1 1755673005 FJGXQKDVKXZKID-OCCSQVGLSA-N 302.378 -0.033 30 20 DBED C[C@@H](C#N)C(=O)NCCOCCN(C)C(=O)[C@H]1CC(=O)N(C)C1 1756381300 CUAPOAWVTDOZSL-RYUDHWBXSA-N 324.381 -0.784 30 20 DBED CCCN(C)CCC(=O)NC[C@@H](CO)NC(=O)C#CC(C)C 1756537986 IESZUTIMRDMYMI-AWEZNQCLSA-N 311.426 -0.029 30 20 DBED C=CCCC(=O)N(C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCC(=O)N1 1756684454 UNPOXXQYJSSJCE-NEPJUHHUSA-N 311.382 -0.491 30 20 DBED N#CCSCC(=O)N1C[C@H](O)[C@H](NC(=O)[C@@H]2CC2(F)F)C1 1757170302 LWXHIIVPNCMNKU-YIZRAAEISA-N 319.333 -0.414 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H]1CN(C)C(=O)COCC 1757275617 YKKRLPAAKLYLQI-LBPRGKRZSA-N 309.366 -0.778 30 20 DBED CC(C)C#CC(=O)N1CC[C@@H]1CN(C)C(=O)[C@@H]1CNC(=O)N1 1757301496 FEVAFKUZVOMIEV-NEPJUHHUSA-N 306.366 -0.614 30 20 DBED C=CCC1(C(=O)N2CC[C@@H](NC(=O)CC(N)=O)[C@H](O)C2)CCC1 1757564688 XWWGZUDTYAQCPC-VXGBXAGGSA-N 323.393 -0.314 30 20 DBED CCOCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CC1)C2 1795208426 UMCSIFNZSJVNQW-DABQJJPHSA-N 321.377 -0.084 30 20 DBED CC[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)S 1800981557 NTTOHVUBYBPCFN-LDMBFOFVSA-N 316.423 -0.335 30 20 DBED C=CCN(CC(=O)NC(=O)NC1CC1)[C@H]1CCS(=O)(=O)C1 66559748 UGXHKEMOBVCDIV-NSHDSACASA-N 315.395 -0.350 30 20 DBED C#CC[C@H](C)OC(=O)CCc1nc2c([nH]1)c(=O)[nH]c(=O)n2C 83782258 JPRGEIMEMJEKRD-QMMMGPOBSA-N 304.306 -0.163 30 20 DBED C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ncnn2C)c1 118956783 MWAQIJCKOSUUGC-UHFFFAOYSA-N 319.346 -0.021 30 20 DBED C=CCN(C)CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 121368185 ZOQXPZCHMWBKOG-UHFFFAOYSA-N 324.425 -0.893 30 20 DBED N/C(=N/C[C@H]1COCCO1)N1CCN(c2ncccn2)CC1 262014415 VOCKGCZTWARWDT-LBPRGKRZSA-N 306.370 -0.671 30 20 DBED CCN1CCN(/C(=N\C)NC[C@@H]2CCS(=O)(=O)C2)CC1=O 262414102 PWCDHYQDFNUOSM-NSHDSACASA-N 316.427 -0.839 30 20 DBED C=CCCN(C)C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 276165973 RPWJCOIGPFPMPD-UHFFFAOYSA-N 305.338 -0.532 30 20 DBED CCOC(=O)CO/N=C(/C(=O)N1CCOCC1)c1cc[nH]n1 276479906 DSRLXOPRMOUUJO-FOWTUZBSSA-N 310.310 -0.448 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)C[C@@H](O)CNC(=O)OC(C)(C)C 296982697 ZDVYQDGQAASKQN-NEPJUHHUSA-N 313.398 -0.058 30 20 DBED C=C(C)CN(CC)C(=O)C(=O)N1CCN(C(=O)COC)CC1 297836318 LLBDVBZOUJWQNG-UHFFFAOYSA-N 311.382 -0.272 30 20 DBED C#CCN1CCC(C(=O)NC(C(=O)OCC)C(=O)OCC)CC1 299309427 DILJAJMBJUEWKS-UHFFFAOYSA-N 324.377 -0.057 30 20 DBED C[C@@](CO)(NS(=O)(=O)c1ccc(F)c(C#N)c1)C(=O)O 313561495 IQUMUPMKJXAENS-NSHDSACASA-N 302.283 -0.189 30 20 DBED O=S(=O)(CC/N=C(/O)Cn1cnnn1)N1CCSCC1 328643265 AGDOGZZQOPOYFN-UHFFFAOYSA-N 320.400 -0.992 30 20 DBED C[C@H](O)[C@H](/N=C(/O)C1CC1)C(=O)N1C[C@@H]2OCCN(C)[C@H]2C1 329401700 YFTKTEMRNSDXRZ-BQUFFADESA-N 311.382 -0.356 30 20 DBED O=S1(=O)CCN(C/C(O)=N/CCN2CCCOCC2)CC1 329962447 PFGSSILMXTZLDV-UHFFFAOYSA-N 319.427 -0.604 30 20 DBED COC(=O)[C@@H]1[C@H](O)CCCN1CC(=O)N/C(O)=N/CC(C)C 331285176 GGHDCDHXXPMODC-PWSUYJOCSA-N 315.370 -0.329 30 20 DBED CN(C)S(=O)(=O)N(CC#N)CC1(CS(C)(=O)=O)CC1 331739522 DZPKLPANXDSMPR-UHFFFAOYSA-N 309.413 -0.557 30 20 DBED C[C@@H](CN1CCCC1=O)NS(=O)(=O)N1CCO[C@@H](C#N)C1 336926950 XOXZKIPKGPFBQG-QWRGUYRKSA-N 316.383 -0.944 30 20 DBED C[C@H]1CN(C(=O)C(=O)Nc2ccc(C#N)cn2)C[C@@H](CO)O1 340360914 QQEZFQOHDSXWPQ-ONGXEEELSA-N 304.306 -0.500 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCO[C@@H](CCC)C2)C1=O 340452104 SVSWRGZJZXQBNT-NSHDSACASA-N 323.349 -0.009 30 20 DBED COC(=O)CC1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC1 345269914 QRXKVUHHHYUTJQ-UHFFFAOYSA-N 320.349 -0.265 30 20 DBED N#Cc1ccnc(NCCNC(=O)c2cnccn2)c1[N+](=O)[O-] 348364955 MQXHEQSCMYVSAL-UHFFFAOYSA-N 313.277 0.493 30 20 DBED CNC(=O)CNC(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1 352216270 GGHFYDPGCNOLQB-CYBMUJFWSA-N 314.345 -0.089 30 20 DBED C#CCCCC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 370070725 CDHXSWMVDQTQBK-OLZOCXBDSA-N 314.407 -0.596 30 20 DBED C#CCCCS(=O)(=O)N1CC[C@H](S(=O)(=O)NCC)C1 376345666 CCHLKHCIVXGCCO-NSHDSACASA-N 308.425 -0.257 30 20 DBED CN(CCC#N)S(=O)(=O)N1CC[C@@H]2NC(=O)OC[C@H]2C1 495306554 GNZISZBMKHCJQO-ZJUUUORDSA-N 302.356 -0.493 30 20 DBED CNS(=O)(=O)c1ccc(S(=O)(=O)NC2(C#N)CC2)cc1 535893262 YTHCPUFPFJECTO-UHFFFAOYSA-N 315.376 -0.071 30 20 DBED C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@@H]1CS(=O)(=O)CCO1 562370260 ZKZRSJQQKYKTAA-IJLUTSLNSA-N 303.380 -0.103 30 20 DBED CN(CCC#N)C[C@@H](O)CN[C@@H]1CCN(CC(F)(F)F)C1=O 564856146 JDMQRNGUTIWRJD-WDEREUQCSA-N 322.331 -0.054 30 20 DBED CN1CCC(CN=c2cc[nH]c(C#N)n2)(N2CCOCC2)CC1 579128888 TZDFSZMWWNNLLN-UHFFFAOYSA-N 316.409 -0.021 30 20 DBED C[C@@H]1CN(CCNC(=O)NCCn2cnc(C#N)n2)[C@H](C)CO1 596598321 LBOGGXDZXWVUNV-VXGBXAGGSA-N 321.385 -0.442 30 20 DBED C=CCC[C@H](NC(=O)CN1CC(=O)N(C)C1=O)C(=O)OCC 599996757 OEJPHSULKVQJBK-JTQLQIEISA-N 311.338 -0.106 30 20 DBED CO[C@H]1CN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CCO1 602900129 SPOQIBYVGGMTPH-GDBMZVCRSA-N 324.425 -0.017 30 20 DBED Cc1onc(CC(=O)N2CCN(CC(=O)N(C)C)CC2)c1C#N 611527319 BNDNDVZFFXCLGN-UHFFFAOYSA-N 319.365 -0.370 30 20 DBED CCN(CC(=O)N(C)C)S(=O)(=O)N(CCC#N)CCOC 619707405 PVVYSRXQPNZGRW-UHFFFAOYSA-N 320.415 -0.497 30 20 DBED C=CCN1CCC(NS(=O)(=O)C[C@@H]2CNCCO2)CC1 631917056 FBBDCNDIRGEGEG-ZDUSSCGKSA-N 303.428 -0.455 30 20 DBED C=CCCn1cc(C(=O)N2CCN(Cc3nc[nH]n3)CC2)nn1 652899088 RFDARFXMLRGDMR-UHFFFAOYSA-N 316.369 -0.070 30 20 DBED C=CCC[C@@H]1NC(=O)N([C@@H]2CS(=O)(=O)C[C@H]2OC)C1=O 656834440 XVYQOAHEDQISPB-IVZWLZJFSA-N 302.352 -0.315 30 20 DBED Cn1nnc(Br)c1C(=O)N1CCOC[C@@H]1C#N 700187328 YFDNCGIZGQAMQM-LURJTMIESA-N 300.116 -0.058 30 20 DBED C#CCN(C)CCCNC(=O)[C@@H]1CCCN1S(C)(=O)=O 700584472 GEEKXPYFQCOHOP-LBPRGKRZSA-N 301.412 -0.518 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)/C=C\c2cnn(C)c2)CC1 728534790 RCIAKBOAWZWALN-PLNGDYQASA-N 315.377 -0.673 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)/C=C/c2cnn(C)c2)CC1 728534795 RCIAKBOAWZWALN-SNAWJCMRSA-N 315.377 -0.673 30 20 DBED CCS(=O)(=O)N1CCC(C(=O)N(CC#N)CC(=O)O)CC1 737220710 NKOBKAFACSXWJR-UHFFFAOYSA-N 317.367 -0.515 30 20 DBED COC(=O)c1cc(C=NN=c2nc3[nH][nH]cc-3c(O)n2)c[nH]1 753165341 BUBDOFIECIETHJ-UHFFFAOYSA-N 301.266 -0.007 30 20 DBED CNC(=O)[C@H]1CN(c2cccc(S(N)(=O)=O)c2C#N)CCO1 755020114 PFLCQMUYOUGJKX-LLVKDONJSA-N 324.362 -0.843 30 20 DBED COC[C@@H](NS(=O)(=O)Cc1cc(C#N)ccc1F)C(N)=O 766848756 VNTGWGVOFVLCFK-LLVKDONJSA-N 315.326 -0.383 30 20 DBED N#Cc1c2c(cn(CN3CCO[C@H](C(N)=O)C3)c1=O)CCCC2 793491857 XAQMALJCIZCFIF-AWEZNQCLSA-N 316.361 -0.258 30 20 DBED C#C[C@@H](NC(=O)C(=O)N(C)Cc1cnccn1)[C@H]1CCCO1 809307231 BEZHFWXDMVFVID-CHWSQXEVSA-N 302.334 -0.268 30 20 DBED CCOC(=O)COCCn1c(N)nc(C#N)c1-c1nn[nH]n1 821330815 TWNAZUVJCFGQCM-UHFFFAOYSA-N 306.286 -0.903 30 20 DBED N#CCCS(=O)(=O)NC(=O)c1cccc(-n2cnnn2)c1 821584037 OZAFZJYWRHSPEO-UHFFFAOYSA-N 306.307 -0.364 30 20 DBED N#Cc1cc(-c2nn[nH]n2)c(SCc2nn[nH]n2)nc1N 822819120 KXSJBVXUDHGIDO-UHFFFAOYSA-N 301.299 -0.479 30 20 DBED C[C@H](CCCN)NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 834813894 ZGGIWFKAKZIXOH-SNVBAGLBSA-N 324.406 -0.031 30 20 DBED C#CCO[C@H](C)C(=O)NS(=O)(=O)[C@H](C)[C@H](C)C(=O)OC 835312975 GMTPDJJWAMRNQQ-IVZWLZJFSA-N 305.352 -0.332 30 20 DBED C=CCN1CCN(CN2CCN(S(C)(=O)=O)CC2)C1=O 839955277 HNDQSZSRCDDKDU-UHFFFAOYSA-N 302.400 -0.555 30 20 DBED C#CC[C@H](NS(=O)(=O)N(CCC#N)CCOC)C(=O)OC 841542186 XOGPTMAHAATVFI-NSHDSACASA-N 317.367 -0.752 30 20 DBED C#CCOCCC(=O)N1C[C@H](C(=O)OC)CC[C@@H]1C(=O)OC 862823010 CKRSOGBDJITTEX-VXGBXAGGSA-N 311.334 -0.021 30 20 DBED C#CCOCCNC(=O)N[C@@H]1CCCC[C@H]1NS(C)(=O)=O 875487472 WCFIFPXPYKEVGV-VXGBXAGGSA-N 317.411 -0.204 30 20 DBED C#C[C@H](NS(=O)(=O)CCS(=O)(=O)N(C)C)C(C)(C)C 882199336 NMJJIYKDNONMHL-JTQLQIEISA-N 310.441 -0.155 30 20 DBED C#CCN1CCC[C@@H](NS(=O)(=O)c2ccnn2COC)C1 885512661 XQZQSIQUZSERRQ-GFCCVEGCSA-N 312.395 -0.137 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H]2CCN(C(=O)Cn3nccn3)C2)c1 937799213 XYGKYKQATGJOSI-NSHDSACASA-N 313.321 -0.491 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H]1CNC(=O)c1c[nH]c(C(N)=O)c1 944251317 PEFHJVURYORQMK-GXSJLCMTSA-N 317.349 -0.006 30 20 DBED C[C@@H]1CN(CC#N)CC[C@@H]1NC(=O)c1nccnc1C(N)=O 944812285 SUTUBIQISZOPHS-ZJUUUORDSA-N 302.338 -0.461 30 20 DBED NC(=O)CC(=O)N1CC[C@@H]2CN(C(=O)C#CC3CC3)CC[C@H]21 945950885 FXDGEURFQQGWBJ-CHWSQXEVSA-N 303.362 -0.275 30 20 DBED C#Cc1cncc(C(=O)NC[C@H]2CCC[C@H]2NC(=O)C(N)=O)c1 946299138 PUGRTKCOLJDEIS-DGCLKSJQSA-N 314.345 -0.437 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H]2CCN2C(=O)C2(C(N)=O)CC2)c1 949293536 SVSRFWMQFYLHMP-SNVBAGLBSA-N 315.333 -0.517 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H](NC(=O)CN2CCCNC2=O)C1 951868464 STTRGUAKLAKZNG-NEPJUHHUSA-N 321.381 -0.331 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H]1CNC(=O)c1cnn(C)c1N 956188977 OVGBRPFZCYLLFJ-ZJUUUORDSA-N 304.354 -0.117 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2nc3ncc(C)cn3n2)C1 958168057 SIRKSZDHSLSUPI-NWDGAFQWSA-N 314.349 -0.912 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2ccnc(O)c2)C1 958814017 TYOUXVCDRDBZHB-USWWRNFRSA-N 318.333 -0.409 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cnns1 960079661 LTOMXTLDTAFJNW-LPEHRKFASA-N 321.362 -0.250 30 20 DBED Cc1nc[nH]c1C(=O)N1CCO[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]21 960608041 HFVKMMCJDGZFDU-ZMLRMANQSA-N 317.349 -0.070 30 20 DBED COc1ccc2ncc(C(=O)N[C@H]3[C@@H]4CN(CC#N)C[C@@H]43)n2n1 960648827 ASMNSNDRDJXWSX-MSRIBSCDSA-N 312.333 -0.079 30 20 DBED N#CCN1C[C@H]2[C@H](NC(=O)Cn3nnc(-c4ccco4)n3)[C@H]2C1 960721118 BACRJXNZTFXMMX-IWIIMEHWSA-N 313.321 -0.497 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1ncnn1 963116812 YOALSIRIVLPFHF-WOPDTQHZSA-N 317.353 -0.575 30 20 DBED C[C@H](C#N)C(=O)N1CCOC2(CN(C(=O)c3cn(C)cn3)C2)C1 965472477 KYANJYKAVJQKDL-LLVKDONJSA-N 317.349 -0.367 30 20 DBED C[C@H](C#N)C(=O)N1CC(N2CCN(C(=O)c3cc[nH]n3)CC2)C1 967195538 RDKKCIPGWODXTF-LLVKDONJSA-N 316.365 -0.462 30 20 DBED Cc1nc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)cs1 969936967 ADHXTTJAAOQYCR-ZOFUNIGCSA-N 308.363 -0.087 30 20 DBED CN(CC#N)[C@H]1CCN(C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)C1 971963609 KBZZIOZPRPNXLS-XQQFMLRXSA-N 308.382 -0.144 30 20 DBED NC(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@@H]2CN(C(=O)C#CC3CC3)[C@@H]2C1 972086357 OKVUICWIUUHVRF-YIYPIFLZSA-N 315.373 -0.420 30 20 DBED CN1CC[C@@H](C(=O)N2CC[C@@]3(CN(CC#N)CCO3)C2)C1=O 972507007 SSWPXYIGJXTOCV-IUODEOHRSA-N 306.366 -0.708 30 20 DBED Cn1ncc(C(=O)N[C@H]2C[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)n1 973994493 HELGDFXRRMAWNP-AOOOYVTPSA-N 313.321 -0.294 30 20 DBED CN1CC(=O)N(CC(=O)N[C@@H]2CCC[C@@H](NCC#N)C2)C1=O 981507552 YQTRGNQTPNVFPX-GHMZBOCLSA-N 307.354 -0.579 30 20 DBED Cn1cc(C(=O)N2CC3(CCCN(CC#N)C3)C2)n(C)c1=O 982166526 DFOSZZBQOBDACR-UHFFFAOYSA-N 303.366 -0.215 30 20 DBED C[C@@H]1[C@@H](NCc2nnnn2C)CCN1C(=O)c1ccc(C#N)[nH]1 986189629 XEYDPYGRXCWMRC-KOLCDFICSA-N 314.353 -0.197 30 20 DBED C[C@@H]1[C@@H](NC(=O)[C@H]2CCN(C)C2=O)CCN1C(=O)C#CC1CC1 989347142 JOVDPDQSBXOJON-BNOWGMLFSA-N 317.389 -0.016 30 20 DBED CC(=O)N[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1n1ccnn1 990765649 NYTWSGBEMUBNBF-OLZOCXBDSA-N 313.321 -0.320 30 20 DBED N#Cc1cc(C(=O)N2CC(NC(=O)C[C@H]3CCNC3=O)C2)c[nH]1 993448340 LHPCXAAFPPGULC-SECBINFHSA-N 315.333 -0.647 30 20 DBED O=C1NCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C#CC1CC1 999122317 CRCNZOXVXFMTRQ-RFGFWPKPSA-N 315.373 -0.216 30 20 DBED O=C1CCCC[C@@H](C(=O)NC2CN(C(=O)C#CC3CC3)C2)N1 999367339 BKIXHVPMJCUDTA-ZDUSSCGKSA-N 303.362 -0.214 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCN(C(=O)CC(C)(C)O)CC1 1011065353 RTXFQTQMYZYVNL-AWEZNQCLSA-N 321.421 -0.084 30 20 DBED C=C[C@](C)(CC)C(=O)N1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 1012291422 YNDVYSNDOLSILG-XHDPSFHLSA-N 308.382 -0.059 30 20 DBED O=C1CC[C@H](C(=O)N2CCC3(CN(C(=O)C#CC4CC4)C3)C2)N1 1019010247 KGPPPDZFKOVPGJ-CYBMUJFWSA-N 315.373 -0.261 30 20 DBED Cc1ccn(C)c1C(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1O 1023518869 RFNUFGLDVPVVOK-QJPTWQEYSA-N 304.350 -0.205 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1[C@@H]2CN([C@@H](CC)C(N)=O)C[C@@H]21 1026055084 XSZYIXAKOKLRQH-BSOLPCOYSA-N 307.394 -0.112 30 20 DBED N#Cc1ccc(C(=O)NC[C@H]2CCCN2[C@H]2CCNC2=O)[nH]1 1027831487 QHRPORDYFBDDGB-YPMHNXCESA-N 301.350 -0.031 30 20 DBED CN1C[C@H](C(=O)NC2CN(Cc3cccc(C#N)c3)C2)NC1=O 1030794833 AXDWDVDEPZHXCK-CQSZACIVSA-N 313.361 -0.118 30 20 DBED N#CCN1CCO[C@H](CNC(=O)[C@H]2CCc3cncn3C2)C1 1035419674 RMDRGKDWVYQGGR-GXTWGEPZSA-N 303.366 -0.214 30 20 DBED COc1coc(C(=O)NC[C@@H]2CN(CC#N)CCO2)cc1=O 1035445328 PGVPLSWZXVXBAJ-SNVBAGLBSA-N 307.306 -0.397 30 20 DBED C=C(C)CCN1CCO[C@H](CNC(=O)C2CC(=O)NC(=O)C2)C1 1035541293 HDDJMLXEILUNAM-CYBMUJFWSA-N 323.393 -0.178 30 20 DBED C=CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)Cn1nc2n(c1=O)CCCC2 1037662140 AVXWFIIRDOPCJE-XUJVJEKNSA-N 317.393 -0.244 30 20 DBED CC(C)C#CC(=O)NC[C@@]1(O)CCN(C(=O)[C@H]2CCCO2)C1 1039664050 KDNXBSPACDUCKL-CJNGLKHVSA-N 308.378 -0.096 30 20 DBED COC[C@@H](OC)C(=O)N1CC[C@@](O)(CNC(=O)C#CC2CC2)C1 1039680407 FNZDGXUBIMWHJQ-CZUORRHYSA-N 324.377 -0.859 30 20 DBED C=CCO[C@@H](C)C(=O)NC[C@@]1(O)CCN(C(=O)c2cnn[nH]2)C1 1040162807 COQUUWIBPJSRHP-HZMBPMFUSA-N 323.353 -0.911 30 20 DBED C#CCOCCC(=O)N1CC[C@@](O)(CNC(=O)[C@H]2C[C@@H]2C)C1 1040577252 KYVWCADPYJEDHZ-HEHGZKQESA-N 308.378 -0.238 30 20 DBED C=CCCCC(=O)N1CC[C@@](O)(CNC(=O)c2nnn(C)n2)C1 1040596041 YTZHBEUIDAXOBT-CQSZACIVSA-N 322.369 -0.740 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)c2csnn2)C1 1040766779 SPNJKYRSCCEYGV-UFBFGSQYSA-N 309.351 -0.609 30 20 DBED Cc1cnn(C)c1C(=O)N1CC[C@@](O)(CNC(=O)[C@H](C)C#N)C1 1040770932 WBJRQXYIDKESRW-MEBBXXQBSA-N 319.365 -0.419 30 20 DBED N#Cc1cccnc1N1C[C@@H](O)[C@H](NC(=O)CN2CCCC2)C1 1041052802 FREZXOHPFSXLKZ-ZIAGYGMSSA-N 315.377 -0.285 30 20 DBED C#CCN1CCC(C(=O)N2CC(O)(CNC(=O)C3CC3)C2)CC1 1041101817 IMUDQXLIJZVKNZ-UHFFFAOYSA-N 319.405 -0.569 30 20 DBED N#CCSCC(=O)NCC1(O)CN(C(=O)c2cccnc2)C1 1041569474 YHKVDYGPMWADHU-UHFFFAOYSA-N 320.374 -0.359 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)CCOC(C)C)C1 1041583128 OPYUBKYLANNKTP-UHFFFAOYSA-N 314.382 -0.306 30 20 DBED C=CCCN1CC[C@@H]2CCN(C(=O)CN3CCNC(=O)C3)C[C@H]21 1042182603 GCHOKHFRJMKWDS-HUUCEWRRSA-N 320.437 -0.083 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)Cc2n[nH]c(C)n2)C1 1042968866 OXYXERWHBKPGNI-UHFFFAOYSA-N 307.354 -0.689 30 20 DBED CCO[C@@H](C(=O)NCC1(O)CN(C(=O)[C@H](C)C#N)C1)C1CC1 1043172801 OUHZZKDDGLJOGX-ZYHUDNBSSA-N 309.366 -0.349 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)[C@@H](C2CC2)N(C)C)C1 1043462181 HAAPATZFTHTDEJ-ZYHUDNBSSA-N 308.382 -0.824 30 20 DBED Cc1nc(O)[nH]c1C(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1043486157 PCAFMMHBLNZDJR-UHFFFAOYSA-N 318.333 -0.860 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)CCc2cnc[nH]2)C1 1043526365 XCBMGLFJUBGOBZ-UHFFFAOYSA-N 322.365 -0.766 30 20 DBED CN1CCC[C@H]1C(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@@H]1O 1043873513 CTBMCRIJXBDXIK-RDBSUJKOSA-N 315.377 -0.287 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)C3=CCOCC3)C2)nn1 1043918760 SYDSLSPRMLQTBW-OLZOCXBDSA-N 315.333 -0.639 30 20 DBED N#Cc1nccnc1N1C[C@H](O)[C@H](NC(=O)c2ccsn2)C1 1044258297 IILYIPUZSKBYHZ-MNOVXSKESA-N 316.346 -0.216 30 20 DBED N#Cc1cncc(N2C[C@H](O)[C@H](NC(=O)[C@@]3(F)CCOC3)C2)n1 1044425652 GSJQOGPBNVSLJM-UHIISALHSA-N 321.312 -0.857 30 20 DBED N#Cc1cncc(N2C[C@H](O)[C@H](NC(=O)c3ccnnc3)C2)n1 1044576927 QQRKTEDNGYLFDZ-NEPJUHHUSA-N 311.305 -0.882 30 20 DBED C[C@@H]1CC[C@H](C(=O)N[C@@H]2CN(c3nccnc3C#N)C[C@@H]2O)O1 1044580857 GIXNEGNTAOEYTC-FOUMNBMASA-N 317.349 -0.419 30 20 DBED Cc1cc(OCC(=O)N2CC(O)(CNC(=O)[C@H](C)C#N)C2)no1 1045550885 BHHXBRNDFXCWSL-SECBINFHSA-N 322.321 -0.789 30 20 DBED CCO[C@H](C(=O)N1CC(O)(CNC(=O)[C@H](C)C#N)C1)C(C)C 1045551323 HKZFJXPFYKKZRK-NEPJUHHUSA-N 311.382 -0.103 30 20 DBED Cc1nn(C)cc1CC(=O)N1CC(O)(CNC(=O)[C@H](C)C#N)C1 1045565047 QILGHKNLPIZORU-SNVBAGLBSA-N 319.365 -0.880 30 20 DBED C#CCN1CC[C@H](N2CCN(C(=O)[C@H]3COCCN3C)CC2)C1 1046021602 ALLAHUCWGKIMKJ-JKSUJKDBSA-N 320.437 -0.831 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)CC2=CCOCC2)C1 1046119911 MBCWJMWMYLTYSA-NSHDSACASA-N 307.350 -0.428 30 20 DBED C#CCN1C[C@H]2C[C@H](NC(=O)c3cn(C)c(=O)cn3)C[C@H]1C2 1047116559 ORBBXMBZYOZTHD-RWMBFGLXSA-N 300.362 -0.004 30 20 DBED C#Cc1cncc(C(=O)N(C)[C@H]2CN([C@@H](C)C(N)=O)C[C@@H]2O)c1 1047521132 LFVOZJYYADXDOP-BPNCWPANSA-N 316.361 -0.946 30 20 DBED C=C(C)CN1C[C@H]2CN(C(=O)CN3CCN(C)C(=O)C3)C[C@H]2C1 1048905134 AKFLJFCIIDZJJJ-GASCZTMLSA-N 320.437 -0.273 30 20 DBED C=CCN1C[C@H]2CN(C(=O)[C@@H]3CN(C(C)=O)CCO3)C[C@H]2C1 1049197813 UBYSTBBXKMEFEJ-ZNMIVQPWSA-N 307.394 -0.190 30 20 DBED C=C(C)CCN1CCOC[C@@H]1CNC(=O)[C@@H]1CN(C)C(=O)N1 1051063035 DBDRLEYZRQIOHC-STQMWFEESA-N 310.398 -0.207 30 20 DBED C#CCCN1CCOC[C@H]1CNC(=O)[C@@H]1COCCN1C(C)=O 1051249607 HBCJGDYWPZUJKQ-CABCVRRESA-N 323.393 -0.926 30 20 DBED C#CCN1CC2(C1)CN(C(=O)c1cc3ncccn3n1)CCO2 1053477698 AKSCACNORIAGRJ-UHFFFAOYSA-N 311.345 -0.111 30 20 DBED C=CCN1CC2(CC[C@H](CNC(=O)[C@@H]3CC(=O)NC(=O)N3)O2)C1 1053670754 VDZFYTLNAWNNCQ-MNOVXSKESA-N 322.365 -0.880 30 20 DBED C=C(C)CCC(=O)N1C[C@H]2CN(C(=O)CNC(N)=O)C[C@H]2C1 1055158313 MSMHTSQWMXLADV-TXEJJXNPSA-N 308.382 -0.072 30 20 DBED C[C@H](C#N)C(=O)N[C@]1(CO)CCCN(C(=O)CCCC(N)=O)C1 1056097617 SMHCKDVLWQCNMH-IAQYHMDHSA-N 324.381 -0.729 30 20 DBED N#Cc1ccc(C(=O)NCCN(CCO)C(=O)[C@@H]2CCCO2)[nH]1 1056892785 JDGGWIAEQNBFCB-ZDUSSCGKSA-N 320.349 -0.384 30 20 DBED C#CCOCCC(=O)NCCN(CCO)C(=O)C[C@H](C)OC 1057166622 ZDPRGWYYXRPVIH-ZDUSSCGKSA-N 314.382 -0.612 30 20 DBED O=C(C#CC1CC1)NCCN(CCO)C(=O)[C@H]1CCCOC1 1057182015 TUTWZOFBKPYAJG-AWEZNQCLSA-N 308.378 -0.237 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)c1nccs1 1057194564 HFBDGYSHILXCTA-UHFFFAOYSA-N 313.379 -0.104 30 20 DBED CC(=O)N(C)CC(=O)NCCN(CCO)C(=O)C#CC(C)C 1057516955 DXRNKKTVOOTUOA-UHFFFAOYSA-N 311.382 -0.939 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)[C@@H]1CCN(C)[C@@H]1C 1057739697 LIXWTNCJQVTWTK-HUUCEWRRSA-N 323.437 -0.077 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)c1nonc1C 1058003612 STNAQVLPMMDUGO-UHFFFAOYSA-N 308.338 -0.268 30 20 DBED C=C(C)C[C@H](C)C(=O)N(CCO)CCNC(=O)c1nc[nH]n1 1058464129 OOYJCSUGEXKPQN-NSHDSACASA-N 309.370 -0.042 30 20 DBED C[C@@]1(C(=O)N[C@@H]2CCN(c3cncc(C#N)n3)C2)CCNC1=O 1058541871 VSDBVFJXIRIIKG-MEBBXXQBSA-N 314.349 -0.431 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)CC1CCOCC1 1058652702 CLXZAGAHQGMNMA-LBPRGKRZSA-N 311.382 -0.100 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)C[C@@H](C)n1ccnc1 1058659120 SYEXDDCELIOKFQ-QWHCGFSZSA-N 321.381 -0.069 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)c1ccn(C)c(=O)c1 1058662846 AALLZVGYZCMBIS-LLVKDONJSA-N 320.349 -0.904 30 20 DBED C=CC(C)(C)CC(=O)NCCN(CCO)C(=O)Cc1nc[nH]n1 1058890968 QJUDHXGRMCXCCS-UHFFFAOYSA-N 323.397 -0.113 30 20 DBED CC(C)C#CC(=O)N1CCOC[C@H]1CNC(=O)C1=COCCO1 1061241678 ZZMNDGDFEXSWPB-CYBMUJFWSA-N 322.361 -0.122 30 20 DBED CC(C)C#CC(=O)N1CCOC[C@H]1CNC(=O)[C@H](C)NC(N)=O 1061527064 QAMXSQABWLCQAZ-NWDGAFQWSA-N 324.381 -0.954 30 20 DBED CC(C)N(C)CC(=O)NC[C@@H]1COCCN1C(=O)[C@@H](C)C#N 1061651414 OZKYNNYFOYRNMP-QWHCGFSZSA-N 310.398 -0.170 30 20 DBED CN(C(=O)[C@H]1CCC(=O)N1)[C@H]1CCN(c2cncc(C#N)n2)C1 1062901372 LODOVYHGSYDLQR-NWDGAFQWSA-N 314.349 -0.336 30 20 DBED C#CCO[C@H](C)C(=O)NC1(CNC(=O)c2cn(C)nn2)CCC1 1062925038 YXCONUFJYKQATN-LLVKDONJSA-N 319.365 -0.378 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H]1CCCC[C@@H]1NC(=O)C(N)=O 1064189767 TVLKKNOPRLJMKF-MFKMUULPSA-N 301.350 -0.053 30 20 DBED C=CCO[C@@H](C)C(=O)NC1(CNC(=O)[C@@H]2CNC(=O)N2)CCC1 1064270233 HSAMFAOWYYUVHB-QWRGUYRKSA-N 324.381 -0.586 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2ccnn2C)CCO1 1064943172 IHWFPGHBNJMQRI-GFCCVEGCSA-N 322.365 -0.420 30 20 DBED C=CCOCC(=O)N1CCO[C@H](CNC(=O)[C@H](CC)OC)C1 1064977703 WYSLYMDZOPTPAD-OLZOCXBDSA-N 314.382 -0.042 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CN(C(=O)Cc2cncnc2)CCO1 1065095639 LXIRMYJGKOOHJE-WCQYABFASA-N 317.349 -0.478 30 20 DBED CC(C)(C)C#CC(=O)N1CCO[C@H](CNC(=O)CC(N)=O)C1 1065140019 HMCLTCPXUNOOCP-LLVKDONJSA-N 309.366 -0.745 30 20 DBED C=CCCOCC(=O)N1CCO[C@H](CNC(=O)c2cnon2)C1 1065278383 JQTHLFUPTHYORR-LLVKDONJSA-N 324.337 -0.381 30 20 DBED N#Cc1nccc(N2C[C@@H](O)[C@H](CNC(=O)c3ccc[nH]3)C2)n1 1067657116 XFBUVDWMHVISMQ-ZYHUDNBSSA-N 312.333 -0.097 30 20 DBED C[C@@H]1CCN(c2ncc(C#N)cc2F)C[C@@H]1NC(=O)C(N)=O 1067988928 IPBRILJIAPCOCT-KCJUWKMLSA-N 305.313 -0.091 30 20 DBED Cn1cc(C(=O)NC[C@H]2[C@@H]3CN(c4cncc(C#N)n4)C[C@H]23)nn1 1068171327 WAUWABYUVPVGIZ-CNDDSTCGSA-N 324.348 -0.411 30 20 DBED Cc1cc(C#N)nc(N2C[C@@H]3C(CNC(=O)c4nc[nH]n4)[C@H]3C2)n1 1068180663 NPLBYUDUBYMJJR-VXGBXAGGSA-N 324.348 -0.113 30 20 DBED C#CCCCC(=O)N1CC2(C1)CN(C(=O)c1cnon1)CCO2 1068439564 UQRBNGHKTKJZDP-UHFFFAOYSA-N 318.333 -0.074 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1COC2(C1)CN(C(=O)c1cn[nH]c1)C2 1069003772 PPKABXUGFVFTAV-KOLCDFICSA-N 303.322 -0.331 30 20 DBED C#CCN1CCn2ncc(CNC(=O)c3cnc(O)n3C)c2C1 1069869988 MWWQRIGABQAZGX-UHFFFAOYSA-N 314.349 -0.299 30 20 DBED N#CCN1C[C@H]2C[C@H]3CN(C(=O)[C@H]4CCNC(=O)C4)C[C@@]3(C1)O2 1070785232 NTFLOCZYNFPJFY-BCUIYNNISA-N 318.377 -0.662 30 20 DBED CC#CCN1CCNC(=O)CCN(C(=O)[C@@H]2CCCN2C)CC1 1070946890 AOZPZSWOWSOMAV-HNNXBMFYSA-N 320.437 -0.246 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)[C@H]2CC[C@@H](C)O2)CC1 1071001827 SJHHGVICDCXSFQ-ZIAGYGMSSA-N 307.394 -0.162 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CCCN(C(=O)Cc2nc[nH]n2)C1 1071376826 CEHZOGDNVNNXFP-NWDGAFQWSA-N 319.365 -0.507 30 20 DBED CC#CCN1C[C@H](NC(=O)CN2CC(=O)N(C)C2=O)CC[C@@H]1C 1071990369 YYOYWUIELRWMBX-QWHCGFSZSA-N 320.393 -0.127 30 20 DBED C#CCN1CCC2(C1)CN(C(=O)[C@@H](C)N1C(=O)CCC1=O)C2 1072799118 FXUAIYSBOUPPHK-GFCCVEGCSA-N 303.362 -0.309 30 20 DBED CC(=O)NCC(=O)NCC1(O)CCN(C(=O)C#CC(C)C)CC1 1074578774 OXBLGVUPVQZFFA-UHFFFAOYSA-N 323.393 -0.748 30 20 DBED C[C@H]1C[C@@H](NC(=O)C#CC2CC2)CCN1C(=O)CCNC(N)=O 1074982954 ZUILWJMMEHIKRD-AAEUAGOBSA-N 320.393 -0.046 30 20 DBED C#CCOCCC(=O)N[C@H]1CCN(C(=O)c2cnn[nH]2)[C@H](C)C1 1074990277 DCLPIYQRWLIXCL-NEPJUHHUSA-N 319.365 -0.046 30 20 DBED C[C@@H](CCNC(=O)CSCC#N)NC(=O)c1cnn(C)c1N 1075675512 AUKOZNIOULIHGR-VIFPVBQESA-N 324.410 -0.116 30 20 DBED C#CCOCCC(=O)N(CC)C1CN(C(=O)c2cnnn2C)C1 1079772214 LUEZCHCSZGVMSP-UHFFFAOYSA-N 319.365 -0.472 30 20 DBED C#CCOCCC(=O)N(CC)C1CN(C(=O)[C@H](C)NC(C)=O)C1 1079773408 JOCFUJDUPLEIMC-LBPRGKRZSA-N 323.393 -0.390 30 20 DBED C#CCOCCC(=O)N(CC)C1CN(C(=O)Cn2cncn2)C1 1079773750 XJTSOCPSAWAOSO-UHFFFAOYSA-N 319.365 -0.623 30 20 DBED C[C@H](C#N)C(=O)NC1(CO)CCN(C(=O)CN2CCCC2)CC1 1080981492 FRVYLMMSQXCXKI-CYBMUJFWSA-N 322.409 -0.288 30 20 DBED C[C@H](C#N)C(=O)NC1(CO)CCN(C(=O)Cc2cnoc2)CC1 1080983060 DDCUIYKEIANCLP-LLVKDONJSA-N 320.349 -0.154 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@H]1O 1081338814 WLTRTGPZYMVQFM-WDEREUQCSA-N 311.382 -0.600 30 20 DBED Cc1ncc(C(=O)N2C[C@H](CNC(=O)C#CC3CC3)[C@@H](O)C2)[nH]1 1081472288 XKQLPQWRORCFIA-JSGCOSHPSA-N 316.361 -0.319 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(C(=O)c2cncnc2)C[C@@H]1O 1081472564 ZJTWSOGMYMJZHY-KGLIPLIRSA-N 314.345 -0.561 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@@H]2CCCN2C(=O)C2CC2)[C@H](OC)C1 1082209397 KNQGODTWJYUHJZ-QLFBSQMISA-N 319.405 -0.164 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CN(Cc3cnns3)C[C@@H]2O)[nH]1 1083413172 CAXNRECCLWBKRM-NEPJUHHUSA-N 318.362 -0.287 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)CN2CCCNC2=O)C1 1083601178 IFYXWCOPRBKDEW-MNOVXSKESA-N 316.789 -0.685 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCc3nnc(C)n3C2)C1 1084084017 BOSCHWFZAWTBSY-MJBXVCDLSA-N 319.409 -0.114 30 20 DBED C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cn(CC(N)=O)nn1 1085986741 LZBOSCNLAXTFRI-GFCCVEGCSA-N 320.397 -0.124 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](N[C@@H](CC)C(N)=O)C1 1086110115 UFJKYKOEUUWWHV-XGUBFFRZSA-N 320.437 -0.168 30 20 DBED Cn1cc([C@@H]2CN(C(=O)C3=COCCO3)C[C@H]2NCC#N)cn1 1086965358 BGCJHKGYRVJJET-QWHCGFSZSA-N 317.349 -0.284 30 20 DBED C=CCN1CC[C@H](N2CC[C@H](NC(=O)c3cnn[nH]3)[C@H]2C)C1=O 1088696124 OCNAPGDLAMSYDL-MDZLAQPJSA-N 318.381 -0.216 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CC[C@H](C)N(c2ccc(C#N)nn2)C1 1089129897 SJUVFUOPSQNPMB-CMPLNLGQSA-N 316.365 -0.042 30 20 DBED C#CCN1CC[C@H](NC(=O)c2ccc3nn[nH]c3n2)[C@@H](O)C1 1090311327 RRRUEXBPXMSKAL-CABZTGNLSA-N 300.322 -0.849 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2ccc3nn[nH]c3n2)[C@@H](O)C1 1090311329 RRRUEXBPXMSKAL-SKDRFNHKSA-N 300.322 -0.849 30 20 DBED CC(=O)Nc1ccc(C(=O)N[C@@H]2CCN(CC#N)C[C@@H]2O)nc1 1090314362 ZXMKSJUYNHKCSK-OCCSQVGLSA-N 317.349 -0.271 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2cn(CC3CC3)nn2)[C@H](O)C1 1090684222 WHMIWRUZIMVGTD-UKRRQHHQSA-N 317.393 -0.124 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CCN(c2ncccc2C#N)C[C@H]1O 1092126475 NDEZASCXMJVDEE-CHWSQXEVSA-N 317.349 -0.855 30 20 DBED COC[C@H](OC)C(=O)NC1[C@H]2CN(c3ccnc(C#N)n3)C[C@H]12 1093345559 PQBGXELHLXVRNQ-DCAQKATOSA-N 317.349 -0.440 30 20 DBED C[C@@H](C(N)=O)N1CC(OC2CCN(C(=O)C#CC3CC3)CC2)C1 1093534151 JBNGHJJMQHUPFN-LBPRGKRZSA-N 319.405 -0.035 30 20 DBED N#Cc1ccc(NCCNC(=O)Cc2nc3ncccn3n2)nn1 1093639198 XEHJRUGABFRGKM-UHFFFAOYSA-N 323.320 -0.443 30 20 DBED N#Cc1c[nH]ccc1=NCCNC(=O)[C@H]1CCc2nncn2C1 1093668542 PPEUKEKLJBHSQR-NSHDSACASA-N 311.349 -0.243 30 20 DBED CCc1nc(C#N)cc(NCCNC(=O)[C@]2(C)CCNC2=O)n1 1094135210 FVRKGSYHKJYJQG-OAHLLOKOSA-N 316.365 -0.035 30 20 DBED Cc1cc(=NCCNC(=O)[C@@H]2CCC(=O)NC2)c(C#N)c[nH]1 1094257095 CUKAPHQRAYBPEP-LLVKDONJSA-N 301.350 -0.262 30 20 DBED C=CCN1CC(n2cc(CNC(=O)[C@H]3COCCO3)nn2)C1 1094276391 NJLNVWNDAVMCKN-CYBMUJFWSA-N 307.354 -0.648 30 20 DBED N#Cc1nccnc1NCCCNC(=O)C1CC(=O)NC(=O)C1 1094495584 MLEPTAMTGAJPMX-UHFFFAOYSA-N 316.321 -0.681 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CCCN(c2nc(C)cc(C#N)n2)C1 1096133382 VOSNEDDQDIFDKM-GFCCVEGCSA-N 316.365 -0.122 30 20 DBED N#Cc1cncc(N[C@H]2C[C@@H](NC(=O)CCn3cnnn3)C2)n1 1097210976 YQXLRWGNBWRNLG-AOOOYVTPSA-N 313.325 -0.516 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1coc(S(N)(=O)=O)c1 1097364832 IWLXWSIQFZULHB-UTUOFQBUSA-N 323.374 -0.105 30 20 DBED C[C@H](CNC(=O)[C@H]1CCS(=O)(=O)N1)Nc1ccc(C#N)nc1 1097875355 UOWYJURANXRBIY-BXKDBHETSA-N 323.378 -0.438 30 20 DBED C[C@H](CNC(=O)[C@H]1CN(C)C[C@@H](C)O1)Nc1ccc(C#N)nn1 1098363278 RPCSVZMLIJKPHW-NQBHXWOUSA-N 318.381 -0.016 30 20 DBED C#CCN(CCO)C1CCN(C(=O)[C@@H]2CN(CC)CCO2)CC1 1098566679 IIJOQWVYDQCYNX-INIZCTEOSA-N 323.437 -0.374 30 20 DBED C[C@H](CCNC(=O)CCCC(N)=O)N=c1cc[nH]c(C#N)n1 1099278081 SRLAUBAOBZANCO-SNVBAGLBSA-N 304.354 -0.268 30 20 DBED CC(C)C#CC(=O)N[C@H]1CCN(Cc2ncnn2C)C[C@H]1O 1099821160 QKKWWENVSGSLJA-QWHCGFSZSA-N 305.382 -0.474 30 20 DBED Cc1cnc(COCC(=O)N[C@@H]2CCN(CC#N)C[C@@H]2O)o1 1099914281 SQUDFAUFRMLVPH-NEPJUHHUSA-N 308.338 -0.425 30 20 DBED C#CCCN1CC[C@@H](NC(=O)C2(C(=O)NC)CCC2)[C@@H](O)C1 1100086318 ZOINKMPRZVHXNZ-OLZOCXBDSA-N 307.394 -0.523 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)c2ccn(C)n2)[C@@H](O)C1 1100110485 WOCIUBOYHDVWGU-JSGCOSHPSA-N 308.382 -0.212 30 20 DBED Cc1cc(C#N)nc(N(C)CCNC(=O)C(C)(C)C(N)=O)n1 1100186425 RSFPKJPKPCVAGE-UHFFFAOYSA-N 304.354 -0.279 30 20 DBED CCOCCNC(=O)CNC1CC(CNC(=O)[C@H](C)C#N)C1 1100190565 YNTUQSKRPKDRLR-PNESKVBLSA-N 310.398 -0.217 30 20 DBED CCN(CCNC(=O)[C@H]1CN(C)C(=O)N1)c1cncc(C#N)n1 1100684768 WFWRDVAMMLPFTD-LLVKDONJSA-N 317.353 -0.686 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)CC(=O)N(C)C)c3nccn32)C1 1101645986 JVZPGNGMIRPLFA-LBPRGKRZSA-N 315.377 -0.434 30 20 DBED CC#CCN1C[C@@H](C)[C@H](CNC(=O)CN(C)S(C)(=O)=O)C1 1102017628 KNSVVCQXSDLOQK-CHWSQXEVSA-N 315.439 -0.415 30 20 DBED C#CCN1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CN(C(C)=O)CCO2)C1 1103687084 IXWZKHBUBXJBFJ-BMFZPTHFSA-N 321.421 -0.059 30 20 DBED COC(=O)NCC(=O)N(C)[C@@H](C)CN=c1cc[nH]cc1C#N 1104475157 CDBSVDJDODZGGM-JTQLQIEISA-N 305.338 -0.010 30 20 DBED COCC#CCNCC[C@@H]1CN(C(=O)[C@@H]2CCNC2=O)C[C@H]1C 1104490138 QPOFIXOFKKSKLN-RBSFLKMASA-N 321.421 -0.154 30 20 DBED CC(C)C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)CC(N)=O 1104919044 RONXHPJZEUEUMH-JTQLQIEISA-N 304.354 -0.412 30 20 DBED CC(C)[C@H](CNC(=O)[C@H]1CNC(=O)N1)N=c1cc[nH]cc1C#N 1105277825 MLILVCROYZQZRB-QWHCGFSZSA-N 316.365 -0.391 30 20 DBED CN(CCN(C)c1ncccc1C#N)C(=O)CCNC(N)=O 1105400220 OMNCHKTZVJQDDR-UHFFFAOYSA-N 304.354 -0.094 30 20 DBED C#CCO[C@H](C)C(=O)N(C)CCN(C)c1ccc2nnnn2n1 1105469495 SPSILKMJDJXXFT-LLVKDONJSA-N 317.353 -0.548 30 20 DBED C#CCNC1CCC2(CC1)CN(C(=O)CNC(=O)NC)CCO2 1105473323 VHXUTLGRJSEGLK-UHFFFAOYSA-N 322.409 -0.322 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H](O)CNC(=O)[C@H]1CCCOC1 1105742719 SYOCPAAOMOQXQE-WCQYABFASA-N 304.350 -0.309 30 20 DBED N#Cc1cccnc1NC[C@@H](O)CNC(=O)c1nccnc1N 1105765804 GNFDVWVHMWXVHO-SNVBAGLBSA-N 313.321 -0.472 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@H](O)CN=c1cc(C)[nH]cc1C#N 1105805724 HSFSIIWFHUQYPT-BBRMVZONSA-N 318.377 -0.100 30 20 DBED N#Cc1cccnc1NC[C@@H](O)CNC(=O)C12CCN(CC1)C2 1105917779 OZUXXWYXUMQQRS-CYBMUJFWSA-N 315.377 -0.062 30 20 DBED CCc1nc(C#N)cc(NC[C@H](O)CNC(=O)c2cnon2)n1 1105927783 DKXCKZBTDICKAB-VIFPVBQESA-N 317.309 -0.504 30 20 DBED C=CCOCC(=O)N1C[C@@H](C)[C@H](CN[C@@H]2CCC(=O)NC2=O)C1 1105941966 SJZOWNQDLVCEDJ-JHJVBQTASA-N 323.393 -0.322 30 20 DBED Cc1ncc(CC(=O)NC[C@H](O)CNc2ccc(C#N)nn2)o1 1106004038 KVDVCBRWSVZUHV-LLVKDONJSA-N 316.321 -0.224 30 20 DBED C#Cc1cncc(C(=O)NC[C@@H](O)CN=c2cc[nH]c(C#N)n2)c1 1106100583 SMINPVAUEBNCBK-ZDUSSCGKSA-N 322.328 -0.651 30 20 DBED C=CCOCC(=O)NC/C=C\CNc1ccc2nnnn2n1 1107075221 OOGRJBFUIPPZIA-ARJAWSKDSA-N 303.326 -0.194 30 20 DBED CCc1nc(C#N)cc(NC/C=C/CNC(=O)CC(N)=O)n1 1107087429 CLPPYSPXMHPYDW-ONEGZZNKSA-N 302.338 -0.130 30 20 DBED C#CCO[C@H](C)C(=O)NCc1cn(C2CN(C[C@@H](C)O)C2)nn1 1107169730 QEBOMWSQYILILC-VXGBXAGGSA-N 321.381 -0.830 30 20 DBED CCC(=O)N[C@@H](C)C(=O)NCc1cn(C2CN(CC#N)C2)nn1 1107174306 NKEQOLOTAUACST-JTQLQIEISA-N 319.369 -0.811 30 20 DBED N#Cc1c[nH]ccc1=NC/C=C\CNC(=O)[C@@H]1CC[C@@H]1C(N)=O 1107453472 YUEDAKXWYCKWSW-RUHGSLFBSA-N 313.361 -0.029 30 20 DBED C=C(C)CCN1CCO[C@@](C)(CNC(=O)Cn2cnnn2)C1 1107728218 VTZNPOIPBHPHAW-AWEZNQCLSA-N 308.386 -0.154 30 20 DBED CC(C)C(=O)N(C)CC(=O)N[C@H](C)CN=c1cc[nH]c(C#N)n1 1108176396 OSSGWDYOOBMRIU-LLVKDONJSA-N 318.381 -0.199 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)c2cccnc2C(N)=O)C1 1108411943 FWKHEBGNAFXAII-MRXNPFEDSA-N 316.361 -0.366 30 20 DBED CC(C)OCCN1CC(N2C[C@H](NC(=O)[C@H](C)C#N)CC2=O)C1 1108527832 PJIFJTSAZBCLKJ-CHWSQXEVSA-N 322.409 -0.028 30 20 DBED C[C@@H](CN(C)c1cnc(C#N)cn1)NC(=O)[C@@H]1COC(=O)N1 1108926338 AWOZAIPJQRRCAA-WPRPVWTQSA-N 304.310 -0.602 30 20 DBED C[C@@H](CN(C)c1ccc(C#N)nn1)NC(=O)c1c[nH]c(=O)cn1 1109231056 LPLSBTIJFJGYGP-VIFPVBQESA-N 313.321 -0.314 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H]1COCCN1C 1110451959 CPMRFOOISKMJCT-WCVJEAGWSA-N 321.421 -0.312 30 20 DBED C=C[C@@](C)(O)CC(=O)N(CCO)CCNc1ccc(C#N)nn1 1111467036 SENYYFDPKCXZMU-OAHLLOKOSA-N 319.365 -0.092 30 20 DBED C#CCO[C@H](C)C(=O)N(CCO)CCNc1ccc(C#N)nn1 1111511078 WFSGEYCBKXWBNL-GFCCVEGCSA-N 317.349 -0.381 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H](C)N(C)c1cncc(C#N)n1 1113567291 OLFRNQGEMJNNEH-LLVKDONJSA-N 314.349 -0.571 30 20 DBED C=CCOCCN1CCN(C(=O)CC[C@@H]2NC(=O)NC2=O)CC1 1113614554 NECXOIGXUJTHAK-LBPRGKRZSA-N 324.381 -0.679 30 20 DBED C[C@@H](CC(=O)NC[C@H](C)N(C)c1cnc(C#N)cn1)NC(N)=O 1113719651 IMZMPMZQSSAOLD-UWVGGRQHSA-N 319.369 -0.264 30 20 DBED C[C@H](CNC(=O)[C@H]1CCCNC1=O)N(C)c1ccnc(C#N)n1 1113744487 OXNMZONEVPMLGO-MNOVXSKESA-N 316.365 -0.185 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)c3cc(C)no3)[C@@H]2C1 1113852663 OSQLMWGPOUMOMI-QJPTWQEYSA-N 316.361 -0.219 30 20 DBED CC#CCCCC(=O)NC1[C@@H]2CN(Cc3nnn(C)n3)C[C@@H]12 1114710259 ASXUIWRUUFQNSX-VXGBXAGGSA-N 302.382 -0.050 30 20 DBED C=CCOCCN1C[C@H]2[C@H](NC(=O)[C@@H]3CN(CC)CCO3)[C@H]2C1 1115271692 MQQXRWFEAGOECW-XUWVNRHRSA-N 323.437 -0.044 30 20 DBED C=CCO[C@H](C)C(=O)NC1[C@H]2CN(Cc3ncnn3C)C[C@H]12 1115333176 UFWWKTURCWDUNZ-WOPDTQHZSA-N 305.382 -0.047 30 20 DBED C=C(C)COCCn1nnnc1N1CCN2C(=O)NC[C@@H]2C1 1120100658 DTRZDRIHDGZBGB-LLVKDONJSA-N 307.358 -0.520 30 20 DBED N#Cc1cncc(N[C@@H](CO)CNC(=O)Cc2cncnc2)n1 1121411357 DFAXRVTWHAAELR-GFCCVEGCSA-N 313.321 -0.730 30 20 DBED Cc1nc(CC(=O)NC[C@H](CO)Nc2ccc(C#N)cn2)n[nH]1 1121447301 UTJHPICQCYXAPD-LLVKDONJSA-N 315.337 -0.489 30 20 DBED C#CCNC(=O)CNC1CC2(C1)CC(NC(=O)CCN(C)C)C2 1121702913 MEOPVQLPLIVPOT-UHFFFAOYSA-N 320.437 -0.296 30 20 DBED N#Cc1nc(=N[C@@H](CO)CNC(=O)C2(F)CCCC2)cc[nH]1 1122206436 JBDUUEDGSBSBQF-SNVBAGLBSA-N 307.329 -0.059 30 20 DBED CCc1nc(C#N)cc(N[C@H](CO)CNC(=O)CCN(C)C)n1 1122544808 URDFPICQEABAHQ-LBPRGKRZSA-N 320.397 -0.249 30 20 DBED CCC(=O)N[C@H](C)C(=O)NC[C@@H](CO)N=c1cc[nH]cc1C#N 1122753151 WOIKBIHKAUZRJN-PWSUYJOCSA-N 319.365 -0.821 30 20 DBED CNC(=O)NCC(=O)N1CC[C@@H](Nc2cnc(C#N)cn2)[C@@H]1C 1123111885 VIMAFOJRRZGEHR-GXSJLCMTSA-N 317.353 -0.321 30 20 DBED CC(C)(C)n1nnc(CNCCNC(=O)CSCC#N)n1 1123792103 IHYDNGKCZZMWNN-UHFFFAOYSA-N 311.415 -0.109 30 20 DBED CN(C[C@H](O)CNc1nccnc1C#N)C(=O)c1cnsn1 1124091468 RLMNLHCFUIRKTG-MRVPVSSYSA-N 319.350 -0.255 30 20 DBED COC(=O)NCC(=O)N(C)C[C@@H](O)CNc1ncccc1C#N 1124091820 TVLOAOUITGFTFK-NSHDSACASA-N 321.337 -0.460 30 20 DBED CO[C@H](C)CC(=O)N(C)C[C@@H](O)CN=c1cc[nH]c(C#N)n1 1124148788 FELXJTUTLBJDHP-MNOVXSKESA-N 307.354 -0.574 30 20 DBED C=C[C@@](C)(O)CC(=O)N(C)C[C@H](O)CNc1cncc(C#N)n1 1124267731 XOWPTWIDIHGLLM-IUODEOHRSA-N 319.365 -0.093 30 20 DBED C[C@@H](C#N)C(=O)NCCN[C@H]1CCCN(c2ccn(C)n2)C1=O 1124902838 NHFAIYHALWXLGY-RYUDHWBXSA-N 318.381 -0.219 30 20 DBED C#CCOCCC(=O)NCCNCc1noc(CCOC)n1 1127031477 CZGSFXAPXTVCQJ-UHFFFAOYSA-N 310.354 -0.496 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCN[C@@H]1CCN(C(C)C)C1=O 1129790558 ASMZGTCUGSZPTQ-CABCVRRESA-N 320.437 -0.201 30 20 DBED N#CCN1CCNC(=O)CCN(C(=O)COCC2CC2)CC1 1131331437 OPDSOICFXFAYGI-UHFFFAOYSA-N 308.382 -0.413 30 20 DBED C=C[C@@H](C)[C@H](C)C(=O)N1CCC(=O)NCCN(CC(N)=O)CC1 1131378964 NVQBKOPIAGNPFR-OLZOCXBDSA-N 324.425 -0.420 30 20 DBED C[C@H]1CC[C@@H](NC(=O)CC2(O)CCC2)CN1CC(=O)NCC#N 1132017393 OSLKISQWBQVXBP-QWHCGFSZSA-N 322.409 -0.100 30 20 DBED CC(C)NC(=O)CN(C)CC(=O)N[C@@H]1CC[C@@H](C)N(CC#N)C1 1132160732 QPOYADYZMRORQH-ZIAGYGMSSA-N 323.441 -0.065 30 20 DBED C[C@@H]1CC[C@@H](NC(=O)c2cnon2)CN1CC(=O)NCC#N 1132369518 YGKDXTQPIGJMRH-NXEZZACHSA-N 306.326 -0.708 30 20 DBED C[C@H]1CCCC[C@H]1OCC(=O)NCCNCC(=O)NCC#N 1134631280 UCKDYIFCOLFWMA-QWHCGFSZSA-N 310.398 -0.073 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1ccc(C)nc1OC 1134881364 ZHRJQEVBQAAABJ-GFCCVEGCSA-N 318.377 -0.144 30 20 DBED C=CCCn1cc(C(=O)NCCN[C@@H](C)C(=O)NCC=C)nn1 1135075701 VJDYXRVPSDXHRR-LBPRGKRZSA-N 320.397 -0.136 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)[C@H]1C[C@@H]1C(C)C 1136062274 YGUIKJJJGOKOLC-NEPJUHHUSA-N 310.398 -0.004 30 20 DBED C#CCN1CCC(C(=O)N[C@H](C)C[C@H](C)NCC(N)=O)CC1 1146585474 YFUGMYPRQLGUTH-QWHCGFSZSA-N 308.426 -0.310 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC2(CCN([C@@H](C)C(=O)NC)C2)C1 1147534437 HHJWSSKQTTZRFA-STQMWFEESA-N 307.394 -0.307 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@H]1CCC[C@@H](N(C)C)C1 1147826217 SKVOXQCFRXIKIA-UONOGXRCSA-N 308.426 -0.438 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(Cc2ncnn2C)CCCO1 1149432295 RKZYFNBRWXVCQP-CYBMUJFWSA-N 323.397 -0.275 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)[C@@H](C)S(C)(=O)=O)C1 1149904685 UVCLIBIYTYJWKP-VXGBXAGGSA-N 302.396 -0.740 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)Cn1cc(C)cn1 1155265255 UQJBCZUMRSNYIG-CYBMUJFWSA-N 307.398 -0.022 30 20 DBED C=C[C@](C)(O)CC(=O)NCCCNC[C@@H]1CCS(=O)(=O)C1 1157194708 INRSRLIAPHHFMJ-JSGCOSHPSA-N 318.439 -0.156 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)[C@H]1OCCO[C@H]1C 1160248815 GHFMREDOQQCGFM-AVGNSLFASA-N 311.382 -0.976 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)C[C@@H]1CCC(=O)N1C 1163800587 DVBZKJIASYCWMG-STQMWFEESA-N 324.425 -0.216 30 20 DBED C[C@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)C1(CN(C)C)CC1 1179421639 XVFGWQIJJMQMIX-STQMWFEESA-N 321.425 -0.453 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](NC[C@@H](O)Cn2cccn2)C1 1182466751 RRPRAABIQBSUTH-HUUCEWRRSA-N 320.393 -0.526 30 20 DBED CC(=O)N1C[C@H](CNCC(=O)NCC#N)C2(CCOCC2)C1 1186213116 PINGHMAJSITFOM-ZDUSSCGKSA-N 308.382 -0.509 30 20 DBED CC(C)C#CC(=O)N1CC[C@H]2CN(Cc3nnnn3C)C[C@H]21 1187804889 SIPXCFCYVOLSFZ-QWHCGFSZSA-N 302.382 -0.098 30 20 DBED C=CCO[C@H](C)C(=O)N1CC[C@@H](NCCN2C(=O)CNC2=O)C1 1188301691 HTPYORBLVPTFFO-VXGBXAGGSA-N 324.381 -0.680 30 20 DBED CN(CC(=O)NCC#N)[C@@H]1CCN(C(=O)c2ccncc2)C1 1188625852 JPCDYDIAHITECO-CYBMUJFWSA-N 301.350 -0.132 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2cccnc2)C1 1188643972 ZHFCINNDQRQVSL-AWEZNQCLSA-N 300.362 -0.023 30 20 DBED C=CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3ccncn3)[C@@H]2C1 1189498146 MTHRPCLKZVJTMT-GXTWGEPZSA-N 315.377 -0.075 30 20 DBED Cc1ccsc1C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1O 1190734911 RTEWFYFJGXRUSD-GHMZBOCLSA-N 322.390 -0.529 30 20 DBED CCn1ncc(CN2C[C@@H](O)[C@H](NC(=O)CSCC#N)C2)n1 1191162302 POMMVFLUUOZBDA-VXGBXAGGSA-N 324.410 -0.784 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2cnc(O)n2C)C1 1191708371 QQYSDAFFGONCPK-NSHDSACASA-N 319.365 -0.979 30 20 DBED C#CCNC(=O)CC(=O)N1CCCN(Cc2ncccn2)CC1 1195534562 FTBKTPZLVMFEBX-UHFFFAOYSA-N 315.377 -0.350 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)C2(S(C)(=O)=O)CCC2)C1 1197350441 VHSFXXMXWRRNQQ-VXGBXAGGSA-N 316.423 -0.309 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)N1CCCN([C@@H](C)C(N)=O)CC1 1197354367 SVFJLYDZDWIYMT-JSGCOSHPSA-N 324.425 -0.135 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC23CCCC3)C1 1197478997 NBHWIARIWXNYRO-MGPQQGTHSA-N 319.405 -0.523 30 20 DBED C#CCNC(=O)CNC[C@H]1CN(C(=O)[C@@H](C)C2CC2)CCCO1 1200189998 MKMAOHAHCTXVJS-ZFWWWQNUSA-N 321.421 -0.011 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCC(NCCN2CCNC2=O)CC1 1200334528 RCEWLKPRPNIFGF-MRXNPFEDSA-N 324.425 -0.081 30 20 DBED C#CCNC[C@H]1CN(C(=O)c2cc(C(N)=O)c[nH]2)CCCO1 1201720575 TYFKOSLWOTVNHQ-LBPRGKRZSA-N 304.350 -0.433 30 20 DBED CC(C)(O)CC(=O)N[C@H]1C[C@H](NCC(=O)NCC#N)C12CCC2 1202857651 VRPGZSOJUJUJBS-RYUDHWBXSA-N 322.409 -0.196 30 20 DBED C#CCNC(=O)[C@H](C)NC1CCN(C(=O)c2nc[nH]n2)CC1 1202992198 XGIIKHBTZPJGGY-JTQLQIEISA-N 304.354 -0.863 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)c2ccc(O)nn2)C1 1207159527 QWVVVPKNHMRVFT-NSHDSACASA-N 317.349 -0.874 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)c2cnnn2CC)C1 1207982826 HCPGGYDDDADIPW-GFCCVEGCSA-N 320.397 -0.206 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)Cc2cnc[nH]2)[C@H](C)C1 1208912646 FDQWEVUDTHCLDB-MBNYWOFBSA-N 317.393 -0.473 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)C2(C(=O)NC)CC2)[C@H](C)C1 1209446170 BEDPWDGEQGUQQU-VXGBXAGGSA-N 322.409 -0.749 30 20 DBED COCC#CCN1C[C@@H](NC(=O)C2=COCCO2)[C@H](OC)C1 1211795184 BSFZJXAYYPWFBX-CHWSQXEVSA-N 310.350 -0.660 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)N1C[C@@H](NCC(N)=O)[C@H](C)C1 1215803242 VYEBFWXYVZTABA-KGYLQXTDSA-N 310.398 -0.621 30 20 DBED CC(C)[C@H](NS(C)(=O)=O)C(=O)N1C[C@@H](NCC#N)[C@H](C)C1 1215840189 KBXKGHIIYJJWBD-UTUOFQBUSA-N 316.427 -0.480 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2cnon2)C[C@H]1C 1216016807 RDVUOGRQLOGPTP-JFGNBEQYSA-N 305.338 -0.742 30 20 DBED CC1(C)C[C@H]1C(=O)N1CCO[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1217649455 RGQGQCZLGCRWSQ-RWMBFGLXSA-N 320.393 -0.416 30 20 DBED Cn1ccc(CN2C[C@H](O)[C@H](NC(=O)CSCC#N)C2)n1 1219219845 POFMLXCIPRWPKM-NEPJUHHUSA-N 309.395 -0.662 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(Cc2cncn2C)C[C@@H]1O 1219526762 BCKMSYKNGLEWMD-IPYPFGDCSA-N 308.382 -0.592 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)Cn2ccc(C)n2)C1 1220372590 FIWOSXNZZLYGPY-KGLIPLIRSA-N 306.366 -0.997 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)c2c[nH]cc2C)C1 1220978044 JRYRYRNETCFZNL-BNOWGMLFSA-N 318.377 -0.764 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2cccn2CC)C1 1220981352 RXKCCEWLGQORIO-OCCSQVGLSA-N 318.377 -0.968 30 20 DBED C=C(C)CN1CC[C@@H]2CN(C(=O)CNS(=O)(=O)NC)[C@@H]2C1 1221714025 JSJBDXOTSLQRRS-VXGBXAGGSA-N 316.427 -0.851 30 20 DBED CCN(C)C[C@H]1CCN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)C1 1261486047 PEURBJNCSMDACJ-CJNGLKHVSA-N 322.409 -0.336 30 20 DBED C=CCOCCNC(=O)C(=O)N1CCC(Cn2ccnn2)CC1 1261582311 OHCNZAWHZHHJCF-UHFFFAOYSA-N 321.381 -0.165 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1261927902 VFXXUVOKBNENEN-DGCLKSJQSA-N 306.366 -0.498 30 20 DBED C=CC[C@@H](C)NC(=O)C(=O)Nc1ccn(CC(=O)N(C)C)n1 1319536593 NBJPWNREBUNFRE-SNVBAGLBSA-N 307.354 -0.009 30 20 DBED Cn1c(N2CCOCC2)nn(CN2CCO[C@H](C#N)C2)c1=S 1321606675 OPRXUTVSTTXMAL-LLVKDONJSA-N 324.410 -0.030 30 20 DBED CN1C[C@H](NC(=O)C(=O)N(C)Cc2ccc(C#N)cc2)CC1=O 1322595548 YSKBYAHCKCYTED-CYBMUJFWSA-N 314.345 -0.136 30 20 DBED C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](CC#N)C2)C[C@H](CO)O1 1327394891 ZRPBUXKQMSCDSW-FRRDWIJNSA-N 309.366 -0.253 30 20 DBED C=C[C@H](CO)NC(=O)C(=O)Nc1ccccc1CC(=O)NC 1327443511 HYSUUMJPRFRVIO-LLVKDONJSA-N 305.334 -0.423 30 20 DBED C#CC[C@H]1NC(=O)N(CCC(=O)N2CCN(C(C)=O)CC2)C1=O 1332914161 ZGNZJXKKRBHFSY-GFCCVEGCSA-N 320.349 -0.989 30 20 DBED C#CCOCCn1nnnc1N1CC[C@@H](OC(=O)N(C)C)C1 1334472995 VPPBFKWVPWQISS-LLVKDONJSA-N 308.342 -0.400 30 20 DBED C#CCNC(=O)C1CCN(C(=O)NC[C@H]2COCCO2)CC1 1344716496 ALILAAJSRDTKTR-ZDUSSCGKSA-N 309.366 -0.427 30 20 DBED C=CCn1cnnc1S(=O)(=O)CCNC(=O)NC(C)C 1346002914 RTKMQTVCMGMSMH-UHFFFAOYSA-N 301.372 -0.055 30 20 DBED COC(=O)C[C@H](O)CNC(=O)C(=O)Nc1sccc1C#N 1348368493 RAPDFQBEZBQCHM-QMMMGPOBSA-N 311.319 -0.402 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N(C)Cc1cn(C)nn1 1349485324 FPFHITKDMWAANS-NSHDSACASA-N 307.354 -0.682 30 20 DBED N#C[C@@H](C(=O)C[C@@H]1CCCO1)C(=O)N1CCS(=O)(=O)CC1 1356016813 ITETZWLITONVAP-QWRGUYRKSA-N 314.363 -0.479 30 20 DBED N#CC1CCN(C(=O)c2cn(C[C@H]3CNC(=O)O3)nn2)CC1 1361988447 LCWFSKDDZGRZFV-SNVBAGLBSA-N 304.310 -0.238 30 20 DBED CN1CCC[C@H](NC(=O)CCn2cc(C#N)c(O)nc2=O)C1 1362075431 SQCLEKSLBKBYEY-NSHDSACASA-N 305.338 -0.579 30 20 DBED N#Cc1ccc(CNC(=O)CN2CCOC[C@H]2CC(N)=O)cc1 1364436300 AQZMXXBZDVUYCR-CQSZACIVSA-N 316.361 -0.249 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CCN(C(=O)c2nccnc2N)C1 1372082344 WPTAKHXIBNDCDH-ZJUUUORDSA-N 302.338 -0.109 30 20 DBED CC[C@H](CNC(=O)c1cc(C#N)c[nH]1)NCc1nnn(C)n1 1373744427 YXENWJMNOGGONS-SNVBAGLBSA-N 302.342 -0.292 30 20 DBED C[C@H](CNC(=O)[C@H](C)C#N)NC(=O)Cn1nnc2c1CCCC2 1377337412 IOYQHTQQCVSGSL-GHMZBOCLSA-N 318.381 -0.063 30 20 DBED C=C(Cl)CNC[C@@H](O)CNC(=O)c1cc(=O)n(C)cn1 1379205298 MFWWWEAVDVAOAO-SECBINFHSA-N 300.746 -0.787 30 20 DBED CC(=O)N(C)CC(=O)N(C)[C@H](CNC(=O)[C@@H](C)C#N)C1CC1 1383586234 FXFPGEGWBSYZRO-GXFFZTMASA-N 308.382 -0.022 30 20 DBED COCCC(C)(C)C(=O)N[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1O 1384826638 XPMIPVMQYYIKEF-UTUOFQBUSA-N 311.382 -0.103 30 20 DBED C[C@H](C#N)C(=O)N(C)CCNC(=O)[C@H]1CCc2nnc(O)n2C1 1387839774 RKVUCCSIZYMWLV-ZJUUUORDSA-N 320.353 -0.720 30 20 DBED N#Cc1ccc(C(=O)NC[C@@H](O)CNC(=O)[C@H]2CCOC2)[nH]1 1389071056 AKMJIKIZRIFXPS-ONGXEEELSA-N 306.322 -0.870 30 20 DBED COc1ccnc(C(=O)NC[C@@H](O)CNC(=O)[C@H](C)C#N)c1 1389096449 AQGURJMCCOFMIG-ZJUUUORDSA-N 306.322 -0.543 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)CCN2CCOCC2)C1 1397212378 QSOIAHBGOZDNII-JHJVBQTASA-N 308.382 -0.368 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCN(C)C(=O)[C@@H]1CCN(C)C(=O)C1 1399724937 GOQZVAYMPFBBCL-NWDGAFQWSA-N 308.382 -0.069 30 20 DBED CNC(=O)NCC(=O)NC[C@@H]1CCN1C(=O)c1ccc(C#N)[nH]1 1400425151 WDYVVTJEBSVUCA-JTQLQIEISA-N 318.337 -0.854 30 20 DBED COC1(C(=O)NCCn2cc(C#N)c(O)nc2=O)CCCC1 1413313158 VFNRFKXVXNTFOK-UHFFFAOYSA-N 306.322 -0.104 30 20 DBED C[C@H](C#N)C(=O)N1CCN(CCN(C)C(=O)[C@@H]2CCOC2)CC1 1415921802 HZTYAFFCTOIXSO-ZIAGYGMSSA-N 322.409 -0.215 30 20 DBED Cn1cnc(S(=O)(=O)NCC(=O)N2CCC[C@H](C#N)C2)c1 1419381344 SXPFFJFWAQOKGI-SNVBAGLBSA-N 311.367 -0.539 30 20 DBED COCCN(CCNC(=O)[C@H](C)C#N)C(=O)[C@H]1CCNC(=O)C1 1426072929 RCELIGGVMMCLEF-NEPJUHHUSA-N 324.381 -0.737 30 20 DBED Cc1c[nH]nc1C(=O)NCCN1CCN(C(=O)[C@H](C)C#N)CC1 1429782058 MCPLZBOHXLVVBY-LLVKDONJSA-N 318.381 -0.248 30 20 DBED N#CCOc1ccc(CN2C[C@@H](C(N)=O)[C@H](C(N)=O)C2)cc1 1473642305 JBSXKNYFELFKDS-CHWSQXEVSA-N 302.334 -0.392 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@H](NC(=O)c2coc(C)n2)C1 1481687747 XZEXQPYPJFUCIN-PWSUYJOCSA-N 304.350 -0.075 30 20 DBED C#Cc1ccc(C(=O)N2CCC[C@H]2C(=O)NCC(=O)O)cn1 1573312074 MKRMAFDQLBQKSQ-LBPRGKRZSA-N 301.302 -0.132 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNc1ccc(-c2nn[nH]n2)cn1 1573577248 OGNMPFVRBLEQGD-PSASIEDQSA-N 316.325 -0.690 30 20 DBED COCCN(CCC#N)C(=O)c1cccn(CC(=O)O)c1=O 1574153432 GDWSVLRUMCYMMV-UHFFFAOYSA-N 307.306 -0.065 30 20 DBED C=CCNC[C@H]1CN(C(=O)[C@@H](C)OCc2cnn[nH]2)CCO1 1575108953 STGYDNIOHPYAQT-YPMHNXCESA-N 309.370 -0.287 30 20 DBED N[C@@H]1C[C@H](C(=O)NCCN/C(O)=C2/N=CC=CC2=O)[C@H]2C[C@H]21 1580401475 FQNTZYZUJDTBMH-ANWDBGTESA-N 304.350 -0.388 30 20 DBED C#CCO[C@H](C)C(=O)N(C)CCN=c1cc[nH]c(C(=O)O)n1 1588489783 CYJCWFRJVQFVTJ-SNVBAGLBSA-N 306.322 -0.495 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](N=c2cc[nH]c(C(=O)O)n2)C1 1588490111 RYFHWIZTVJUGKN-LLVKDONJSA-N 318.333 -0.351 30 20 DBED C[C@H](C(=O)N[C@]1(C#N)CC1(C)C)n1cnc(-c2nn[nH]n2)n1 1588970671 MDPUKBFBAMCGEY-KRTXAFLBSA-N 301.314 -0.172 30 20 DBED CON=CC(=O)N1CC[C@H](Oc2ccc(-c3nn[nH]n3)cn2)C1 1591467026 HCMIWTHJNIYVHF-JTQLQIEISA-N 317.309 -0.126 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@H](CO)Nc1ncc(C(=O)O)cn1 1602809200 CEZITKCNPDZEOW-HZMBPMFUSA-N 324.337 -0.609 30 20 DBED CC(C)(C)C[C@@H](NS(=O)(=O)N1CCO[C@@H](C#N)C1)C(=O)O 1609656412 UJFYUJMHASHEOO-VHSXEESVSA-N 319.383 -0.065 30 20 DBED COCC#CCNC[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(C)C2)C1 1752798429 ABHYSEPMJMRXHN-GJZGRUSLSA-N 321.421 -0.057 30 20 DBED Cc1nn(CC(=O)N2CCC[C@@H](CNCC#N)C2)c(=O)n1C 1752811667 QIXJZUKJHRFHDD-LBPRGKRZSA-N 306.370 -0.758 30 20 DBED C#CCCNC[C@H]1CCN(C(=O)CCN2C(=O)CCC2=O)C1 1752942698 DYWXISCZKSFYAZ-CYBMUJFWSA-N 305.378 -0.013 30 20 DBED COCC#CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(C)CCNC1=O 1753425415 VFRCLPREVUSMSP-XEZPLFJOSA-N 305.378 -0.553 30 20 DBED C=CCn1cc(C(=O)NC[C@@]2(O)CCN(C[C@@H](C)OC)C2)nn1 1754758327 DKSCITPVCJKUMB-DOMZBBRYSA-N 323.397 -0.334 30 20 DBED N#CCN1C[C@@H]2CCCN(C(=O)C(=O)NCC(F)F)[C@@H]2C1 1754874419 XHIOHGYZEGTXJD-VHSXEESVSA-N 300.309 -0.186 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)CCNC(=O)C(C)(C)C 1754970766 ZTUAIYLOUJCXNQ-ZDUSSCGKSA-N 309.410 -0.011 30 20 DBED C#CCNCC1(NC(=O)[C@H](OC)[C@H]2CCOC2)CCOCC1 1755096799 JQKHPTQCMUGGSU-UONOGXRCSA-N 310.394 -0.074 30 20 DBED C=CCCN[C@@H](C)[C@@H](C)NC(=O)c1c[nH]nc1S(N)(=O)=O 1755252089 DQONPPWHOZTIIH-DTWKUNHWSA-N 315.399 -0.270 30 20 DBED C#CCNC1CCC(N(C)C(=O)CCNS(C)(=O)=O)CC1 1755274319 YEIROTKWDFODIB-UHFFFAOYSA-N 315.439 -0.082 30 20 DBED CC(C)C#CC(=O)NCCOCCN(C)Cc1nnn(C)n1 1755544798 MJDWQPDGSUPMJC-UHFFFAOYSA-N 308.386 -0.566 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H](C)CN(C)C(=O)Cc1ccn(C)n1 1755585856 CVJWDEAGOYKXDI-OLZOCXBDSA-N 319.409 -0.463 30 20 DBED COCC#CCNC[C@H](O)CN(C)C(=O)COC(C)(C)C 1755776410 DYHGWWRJSDXZRY-ZDUSSCGKSA-N 300.399 -0.140 30 20 DBED C=C(C)CCC(=O)N[C@@H](C)[C@H](C)NC(=O)CN1CC(=O)NC1=O 1755974047 KOYMXBXWMNKJLK-QWRGUYRKSA-N 324.381 -0.096 30 20 DBED C=CCOCC(=O)N1C[C@H]2CC[C@H]1CN2C(=O)[C@H]1CCC(=O)N1 1756163380 DIOZTNFSZJEYHZ-YNEHKIRRSA-N 321.377 -0.331 30 20 DBED C=CCOCC(=O)N[C@@H]1CC[C@@H]2CN(C(=O)C(N)=O)C[C@H]2C1 1756225555 RIBHRJUKIDZXCT-IJLUTSLNSA-N 309.366 -0.582 30 20 DBED C=CCCC(=O)N[C@@H](C)CN(C)C(=O)C1CC(=O)NC(=O)C1 1756471962 FJGPQWCUMKYDRI-JTQLQIEISA-N 309.366 -0.032 30 20 DBED C=C(C)C[C@@H](C)C(=O)N[C@H](CO)CNC(=O)CS(C)(=O)=O 1756507439 CCVAUXUSYOADIC-MNOVXSKESA-N 320.411 -0.773 30 20 DBED C[C@H]1C[C@H](NC(=O)CSCC#N)CN1C(=O)Cn1cncn1 1756601355 MEEXMXYWSLOBQC-QWRGUYRKSA-N 322.394 -0.360 30 20 DBED C=CCCC(=O)N[C@@H]1CN(C(=O)Cc2[nH]cnc2C)C[C@@H]1O 1757161377 ZZFDOCIFSGEFFG-OLZOCXBDSA-N 306.366 -0.085 30 20 DBED C#CCCCC(=O)NC[C@H]1C[C@@H](NC(=O)Cn2cnnn2)C1 1757317667 YMGCIVHSJIFBEH-TXEJJXNPSA-N 304.354 -0.512 30 20 DBED CCN(C(=O)COc1cnc(C#N)nc1)[C@H]1CCS(=O)(=O)C1 1771660737 VDCKNYMSEHDMGG-JTQLQIEISA-N 324.362 -0.237 30 20 DBED C#CCCCCC(=O)N1CC[C@@]2(CN(C(=O)CN)CCO2)C1 1784197545 IWGKYAPJIQAODA-INIZCTEOSA-N 307.394 -0.031 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(O)n1 1794761955 QWZGYFCQAUPQRJ-QHBPRCKVSA-N 315.329 -0.376 30 20 DBED COCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC#N 1795417585 XEXRCKSPWUBJFS-JJLQDPRZSA-N 309.366 -0.084 30 20 DBED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCCNC)C2 1802019702 CEJPWCGQPILZFW-XOIINTDNSA-N 321.421 -0.011 30 20 DBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1839807316 ZWQBLZZICCKXAN-INIZCTEOSA-N 317.345 -0.620 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CNC(N)=O 1847814957 PCEPORSYSUMNFL-SRVKXCTJSA-N 324.381 -0.552 30 20 DBED CN(C)CCN1C[C@@H](C(=O)N2CCN(CC#N)CC2)CC1=O 73851811 HSHJCJXCJJRUEK-ZDUSSCGKSA-N 307.398 -0.936 30 20 DBED N#CCNC(=O)CN1CCN(CC(=O)Nc2ccccc2)CC1 102823040 DNJCNNBFBSCLLT-UHFFFAOYSA-N 315.377 -0.118 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCC(N)(CC)CC)C1=O 262595018 IYAVBIREQDRXPQ-UHFFFAOYSA-N 310.354 -0.403 30 20 DBED CN(CC(=O)N1CCOC[C@H]1C#N)c1ncnc2nc[nH]c12 267239450 XNWGELMHIOSARX-SECBINFHSA-N 301.310 -0.460 30 20 DBED C[C@@H]1CN(S(=O)(=O)c2ccccc2C#N)C[C@@H](C(N)=O)O1 268369358 RGAAATVXUNMHIR-KOLCDFICSA-N 309.347 -0.178 30 20 DBED CN1CC[C@H]2CCN(c3c(C#N)c(=O)n(C)c(=O)n3C)[C@@H]2C1 272257581 ZOJGWMGWSFZFSH-CMPLNLGQSA-N 303.366 -0.514 30 20 DBED C=CCNC(=O)CNC(=O)N1C[C@@H](C)S(=O)(=O)[C@H](CC)C1 286694714 IPTJSNVEBGOIGX-GHMZBOCLSA-N 317.411 -0.104 30 20 DBED C=C[C@@H](CO)NC(=O)CNS(=O)(=O)c1c(C)noc1C 290593523 MNORODJCLCAXOQ-VIFPVBQESA-N 303.340 -0.767 30 20 DBED C[C@@]1(O)CCN(/C(O)=N/C[C@H]2CCCN2S(C)(=O)=O)C1 330057106 WXLPCISTOBZETM-ZYHUDNBSSA-N 305.400 -0.219 30 20 DBED CN(C)C1CCN(CC/N=C(/O)N[C@H]2CCCNC2=O)CC1 330489209 LOCXGPIWQMNUSU-ZDUSSCGKSA-N 311.430 -0.205 30 20 DBED CCOC(=O)[C@H]1CCCN1S(=O)(=O)N1CC(O)(CC#N)C1 331495198 JFWLMYSVCITDAP-SNVBAGLBSA-N 317.367 -0.781 30 20 DBED C[C@H](C(=O)NCC(=O)NCC#N)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 344181211 RMAPEGNEQVLSRA-GMTAPVOTSA-N 320.349 -0.694 30 20 DBED N#C[C@H]1CN(S(=O)(=O)N[C@@H](CO)C2CCCC2)CCO1 352592175 BPJNQVPPACSCEJ-RYUDHWBXSA-N 303.384 -0.404 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 354776738 CJTDDWJTSIGGBD-VXGBXAGGSA-N 315.395 -0.201 30 20 DBED N#Cc1ccc(C(=O)CNC(=O)[C@@H]2CC[C@H](C(N)=O)O2)cc1 356184311 IKQXRDHCRVMFJN-OLZOCXBDSA-N 301.302 -0.110 30 20 DBED COC(=O)C1(NC(=O)C(=O)Nc2nn(C(C)C)cc2C#N)CC1 356976340 HXGFTNWXLLFHRV-UHFFFAOYSA-N 319.321 0.096 30 20 DBED C[C@H](NC(=O)NCCn1cnc(C#N)n1)C(=O)NC(C)(C)C 357860550 KPXNLUZDDNOTFK-VIFPVBQESA-N 307.358 -0.248 30 20 DBED CC(C)N1CC[C@H](NS(=O)(=O)N(C)C[C@H](C)C#N)C1=O 407956001 KXQWMDUDQPKTLL-MNOVXSKESA-N 302.400 -0.078 30 20 DBED CC(=O)N1CCN(C(=O)[C@@H](C)n2cc(C#N)ccc2=O)CC1 408191886 KJPHMGBJUZMNSY-LLVKDONJSA-N 302.334 -0.028 30 20 DBED N#Cc1ccnc(N2CCN(C(=O)C(=O)NCC(F)F)CC2)c1 443916885 ZMOWZTUUYNMQSQ-UHFFFAOYSA-N 323.303 -0.017 30 20 DBED N#CC1(NC(=O)CN2[C@H]3C[C@H]4[C@H]([C@@H]3O)[C@@H]3C[C@H]4[C@H](O)[C@H]32)CCC1 563215833 HJZAVYQKQXMSRZ-QSQXFHFVSA-N 317.389 -0.391 30 20 DBED COCCN(C)CCNC(=O)C(=O)Nc1cccc(C#N)n1 564947398 NWLWDBAEKPAPQD-UHFFFAOYSA-N 305.338 -0.414 30 20 DBED N#CCN(CC#N)C(=O)CNS(=O)(=O)c1ccccc1F 565014409 LVIRIKNOBGNYTK-UHFFFAOYSA-N 310.310 -0.020 30 20 DBED CS(=O)(=O)N1CC[C@H](N[C@H](C(N)=O)c2ccc(C#N)cc2)C1 567998126 BSHHARNZSNLIPH-STQMWFEESA-N 322.390 -0.292 30 20 DBED C=CCCCCCN(C)C(=O)C(=O)NCC(=O)N1CCNCC1 574907423 DCBIYERFQKMSKD-UHFFFAOYSA-N 324.425 -0.261 30 20 DBED CCN(CCC#N)S(=O)(=O)N[C@@H](C(=O)O)c1ccnn1C 592458974 XOOCWXHFNAWPFW-SNVBAGLBSA-N 315.355 -0.384 30 20 DBED CN(C)CCN(CC(=O)N(C)C)C(=O)Nc1nn(C)cc1C#N 602884259 ATZZBHWKCJKWDY-UHFFFAOYSA-N 321.385 -0.225 30 20 DBED CS(=O)(=O)N1CCC[C@H]1C(=O)N1CCN(CC#N)CC1 610397148 LYRXIYCBBNWTPV-NSHDSACASA-N 300.384 -0.922 30 20 DBED C=C[C@@H](O)C(=O)NCc1ccc(OC)c(S(N)(=O)=O)c1 614941605 XJALNHYUYUUHHK-SECBINFHSA-N 300.336 -0.494 30 20 DBED C=CCNC(=O)CNC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 626379747 LSMZMQWKJFMXCE-JTQLQIEISA-N 303.384 -0.924 30 20 DBED C=C[C@@](C)(O)C(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 668591982 GQCOSEVRHVTXQK-DGCLKSJQSA-N 320.411 -0.472 30 20 DBED COCCCNC(=O)[C@H](C#N)C(=O)[C@@H]1CC(=O)N(C2CC2)C1 729186862 OPRPBRNAXWIQQB-ZYHUDNBSSA-N 307.350 -0.141 30 20 DBED C#CCN(CCC(=O)N(C)CC(=O)O)[C@@H]1CCS(=O)(=O)C1 736077339 QOPITVILCPNFAW-LLVKDONJSA-N 316.379 -0.958 30 20 DBED N#Cc1cc(F)ccc1NC(=O)C(=O)N1CCCNC(=O)C1 751818050 LIMHCHZWPDTQJA-UHFFFAOYSA-N 304.281 -0.016 30 20 DBED Cn1cc(-c2nn(C)cc2C(=O)OCC(=O)NCC#N)cn1 781294308 WZZXPRLNXPCALX-UHFFFAOYSA-N 302.294 -0.383 30 20 DBED C=CCS(=O)(=O)CCNC(=O)c1n[nH]c(C)c1[N+](=O)[O-] 783618079 LEAYSKVULQTZDA-UHFFFAOYSA-N 302.312 -0.043 30 20 DBED CC(C)[C@H](F)C(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1 784509578 DBHZRXOMJKRJAQ-ZJUUUORDSA-N 304.343 -0.054 30 20 DBED CCOC(=O)C(=O)c1cc(S(=O)(=O)NCCC#N)cn1C 805082126 IYNLCPLNZSTTGO-UHFFFAOYSA-N 313.335 -0.037 30 20 DBED C#CCCS(=O)(=O)N1CCN([C@@H](C)C(=O)NC2CC2)CC1 808279643 PQCCTSFPSYDPKB-LBPRGKRZSA-N 313.423 -0.376 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@@H]1CCn2ccnc2C1)[C@@H]1CCCO1 809310773 UQCAXPGYHQPBIY-AGIUHOORSA-N 316.361 -0.389 30 20 DBED Cc1nsc(N2CCN(Cn3ncn(C)c3=O)CC2)c1C#N 811786397 YBYXNXTUOHQKDR-UHFFFAOYSA-N 319.394 -0.002 30 20 DBED N#Cc1cccc(NC(=O)COC(=O)[C@H]2CCS(=O)(=O)N2)c1 845367472 GVIKEKKMIWNTBM-LLVKDONJSA-N 323.330 -0.268 30 20 DBED C=C(CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 856338388 COBWHBILVIIKTM-ZYUZMQFOSA-N 312.282 -0.895 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N1CCc2c[nH]nc2C1 875596985 XQDKYMQLJGLGSP-LBPRGKRZSA-N 304.350 -0.161 30 20 DBED CN(C)CC[C@H](N)C(=O)N1CCN(c2ccc(C#N)nc2)CC1 877296272 ABBZQYDTVISPJX-HNNXBMFYSA-N 316.409 -0.119 30 20 DBED CCOC(=O)[C@H]1CCCN(C(=O)CN(C)C[C@H](O)CC#N)C1 929477426 VJRUAUJZRDGAFZ-QWHCGFSZSA-N 311.382 -0.006 30 20 DBED Cc1nn(C)cc1C1=NO[C@@H](C(=O)N2CCO[C@@H](C#N)C2)C1 932147409 IXPPQFWXOAHVHD-GXFFZTMASA-N 303.322 -0.028 30 20 DBED CN(C(=O)[C@@H]1CCC(=O)N1)[C@H]1CCN(C(=O)C#CC2CC2)C1 937349762 KZAYQEYJWFKINF-STQMWFEESA-N 303.362 -0.262 30 20 DBED C[C@@H](C#N)C(=O)N1CCCN(C(=O)[C@H](C)S(C)(=O)=O)CC1 941553331 TWBTUDGSEDSVJF-QWRGUYRKSA-N 315.395 -0.360 30 20 DBED Cn1ncc(C(=O)N[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)n1 941556566 RXMWRPHMRWXUNX-SNVBAGLBSA-N 313.321 -0.341 30 20 DBED C=CCCN1CC[C@@H](NC(=O)CN2CC(=O)NC2=O)[C@H](C)C1 943674008 GLPSJSFWGCKCDS-VXGBXAGGSA-N 308.382 -0.059 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2CCCN2C(=O)CC(N)=O)cn1 943921272 SKNXNVVCTGYQPW-CYBMUJFWSA-N 314.345 -0.341 30 20 DBED C=CCN1CC[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)[C@@H](C)C1 944136319 SJOCRUVOKZDWGA-NWDGAFQWSA-N 308.382 -0.107 30 20 DBED C#CCN1CC[C@@H](NC(=O)CN2CCN(C)C(=O)C2)C[C@@H]1C 947463104 APXMPMVZNGTBNE-UONOGXRCSA-N 306.410 -0.637 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)C[C@@H]1C 947924355 BPQWPJDJROFZKF-QWHCGFSZSA-N 320.393 -0.127 30 20 DBED COc1cncc(C(=O)NC[C@@H]2CCN2C(=O)[C@@H](C)C#N)n1 949942427 QIEIBIDABWCZRK-UWVGGRQHSA-N 303.322 -0.024 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)CC(N)=O 950229992 ADUAGBDQYLRHDH-UTUOFQBUSA-N 309.366 -0.440 30 20 DBED Cn1cnc(C(=O)N[C@H]2CCCN(C(=O)C#CC3CC3)C2)n1 950758523 JQTMLUUKRFLNNH-LBPRGKRZSA-N 301.350 -0.051 30 20 DBED C=CCn1cc(C(=O)N2CCN([C@@H]3CCN(C)C3=O)CC2)nn1 951559836 QAXAQBVQAKDYLD-CYBMUJFWSA-N 318.381 -0.547 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2c3c(nn2C)CCCC3)C1 958101225 OHIFIQFWYQELAT-DOMZBBRYSA-N 316.405 -0.045 30 20 DBED C#CCN1C[C@H](CNC(=O)c2cncc3ncn(C)c23)[C@@H](O)C1 958153613 VNMPCCCGBJFYHM-FZMZJTMJSA-N 313.361 -0.376 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)C1=CCOCC1 964152143 CTDJCDILDNZGFO-DGCLKSJQSA-N 307.350 -0.164 30 20 DBED Cc1c[nH]nc1C(=O)NC[C@@H]1COCCN1C(=O)[C@H](C)C#N 964198453 YFCJTZYVJZVJMS-MWLCHTKSSA-N 305.338 -0.165 30 20 DBED C[C@@H](C#N)C(=O)N1CC(N2CCN(C(=O)C#CC3CC3)CC2)C1 967209201 AUKUCTMUCVYCNP-ZDUSSCGKSA-N 314.389 -0.086 30 20 DBED NC(=O)C(=O)N1CCOC2(CCN(C(=O)C#CC3CC3)CC2)C1 967695825 GUIBVCKKVOLQLX-UHFFFAOYSA-N 319.361 -0.895 30 20 DBED N#Cc1cccc(CN[C@@H]2CCN(C(=O)Cn3ncnn3)C2)c1 968673390 VVTFLTDXMAOJDR-CQSZACIVSA-N 311.349 -0.065 30 20 DBED C=C(Cl)CN1CC([C@H](C)NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 970897667 GFEAEEVPLWXUKJ-ONGXEEELSA-N 321.830 -0.133 30 20 DBED CC(C)c1nnnn1CC(=O)N1C[C@H]2CC[C@H]1CN2CC#N 971899654 KRCICIOHRWJXKV-NEPJUHHUSA-N 303.370 -0.005 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]1CN(C)C(=O)c1ccc(C(N)=O)[nH]1 978417329 UNVPPOPFMABUTK-NXEZZACHSA-N 317.349 -0.054 30 20 DBED C#CCN1C[C@H]2[C@H](CNC(=O)[C@@H]3Cc4cncn4C(=O)N3)[C@H]2C1 978504490 AJFZYXUUCWFGTK-FQUUOJAGSA-N 313.361 -0.707 30 20 DBED C=CCN[C@@H]1C[C@@H](C)N(C(=O)c2cn(C)c(=O)n(C)c2=O)C1 989511997 WJMJCTLUGOCHCM-GHMZBOCLSA-N 306.366 -0.537 30 20 DBED O=C(N[C@H]1CCN(C(=O)C#CC2CC2)C[C@H]1O)c1ccncn1 991692757 QUJSHTLRAFYLAK-GXTWGEPZSA-N 314.345 -0.418 30 20 DBED C#CCN1CCC[C@@H](NC(=O)c2cn(C)c(=O)nc2O)[C@H]1C 994415684 OPAIFZMRCWDLAT-ZYHUDNBSSA-N 304.350 -0.298 30 20 DBED C#CCCN1CCC(CNC(=O)C2CC(=O)NC(=O)C2)CC1 1001941269 PWLOHNGRLAHCNA-UHFFFAOYSA-N 305.378 -0.109 30 20 DBED N#CCN1CCC(NC(=O)[C@@H]2CCc3nnc(O)n3C2)CC1 1003186800 VOBBEYBYXSWROT-SNVBAGLBSA-N 304.354 -0.350 30 20 DBED C=CC(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)C(N)=O)C2)C1 1007715264 PCURPUOSLQPBSV-OAHLLOKOSA-N 309.366 -0.486 30 20 DBED C#Cc1cncc(C(=O)N2CCN(C(=O)c3cn(C)nn3)CC2)c1 1011086495 FDSQMQPAANOOMO-UHFFFAOYSA-N 324.344 -0.210 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2C(NC(=O)Cc3ccn(C)n3)[C@@H]2C1 1013073614 FATXBSJAFPESNR-YUSALJHKSA-N 301.350 -0.305 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2C(NC(=O)c3cn(C)c(=O)cn3)[C@H]2C1 1013554238 XKQMDADXDTXEMC-UTLUCORTSA-N 315.333 -0.873 30 20 DBED C=CCn1cccc1C(=O)N[C@@H]1C[C@H](C)N(C(=O)C(N)=O)C1 1013981579 CPCKZCBRUPPJGR-WDEREUQCSA-N 304.350 -0.121 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2ccc(-n3cnnn3)cn2)C1 1015380525 BFGALQIETFPEGR-LBPRGKRZSA-N 311.349 -0.115 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(C1)CN(C(=O)[C@@H]1COCCN1C)C2 1018954996 RNDZIRITJQEUSP-STQMWFEESA-N 320.393 -0.462 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(CN(C(=O)c3ncn(C)n3)C2)C1 1018996329 MYNUJRIBTNZPPR-JTQLQIEISA-N 302.338 -0.351 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCN(C(=O)[C@@H]3CCNC(=O)C3)C2)C1 1019362680 BWAPTSHRNIQPJA-NWDGAFQWSA-N 318.377 -0.267 30 20 DBED C#CCN[C@H]1C[C@H](NC(=O)[C@H]2COCCN2CC(F)F)C1 1020434995 VFLZVYCYHGMGKC-IJLUTSLNSA-N 301.337 -0.178 30 20 DBED C#CCN1CCC(C(=O)N[C@@H]2CN(C(=O)C(C)C)C[C@H]2O)CC1 1024130818 PPBPZUYUEOMENS-HUUCEWRRSA-N 321.421 -0.325 30 20 DBED CCc1nn(C)cc1C(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1O 1024194443 OCKKNTWASDOUOR-ZWKOPEQDSA-N 319.365 -0.556 30 20 DBED C#CCN1CCC[C@H]1CNC(=O)[C@@H]1Cc2cncn2C(=O)N1 1028043293 KUYBZZANJNHIRF-AAEUAGOBSA-N 301.350 -0.421 30 20 DBED N#CCN1CCC2(CCN(C(=O)CN3CCOCC3=O)CC2)C1 1035194631 WWXGKLWYVLGLPY-UHFFFAOYSA-N 320.393 -0.317 30 20 DBED CC#CCN1CCO[C@@H](CNC(=O)[C@H]2CCCCN2C(N)=O)C1 1035570481 AJZUKACVSIYCJI-UONOGXRCSA-N 322.409 -0.240 30 20 DBED C=CCN1CC[C@@H]2CN(C(=O)CN3CC(=O)NC3=O)CC[C@@H]21 1036843659 KBTLQVYGHCUBKE-NEPJUHHUSA-N 306.366 -0.353 30 20 DBED Cc1nn(CC(=O)N2CC[C@H]3[C@@H](CCN3CC#N)C2)c(=O)n1C 1036882546 NJPMSKZBAHAWQV-STQMWFEESA-N 318.381 -0.663 30 20 DBED C[C@@H](c1nnnn1C)N1CC[C@@H]1CNC(=O)c1cc(C#N)c[nH]1 1038139499 KEBVHISRYSYIMB-GXSJLCMTSA-N 314.353 -0.025 30 20 DBED CC(C)C#CC(=O)NC[C@]1(O)CCN(C(=O)c2cnn(C)c2)C1 1039664291 NKPMVHJRZUQULT-MRXNPFEDSA-N 318.377 -0.227 30 20 DBED CC(=O)N1CCOC[C@@H]1C(=O)N1C[C@@H]2CCC[C@H](C1)N2CC#N 1040009779 CKSNOMWCBYDMNY-QLFBSQMISA-N 320.393 -0.177 30 20 DBED C[C@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)c2ncccn2)C1 1040758604 ARDULIYIQZMEDF-YGRLFVJLSA-N 303.322 -0.671 30 20 DBED COCC(C)(C)C(=O)N1CC[C@@](O)(CNC(=O)[C@@H](C)C#N)C1 1040765074 FMEROJCDKCWFDD-XHDPSFHLSA-N 311.382 -0.102 30 20 DBED C=C[C@](C)(CC)C(=O)N1CC(O)(CNC(=O)CNC(C)=O)C1 1041209880 SBGVEPDNVLFXKC-CQSZACIVSA-N 311.382 -0.586 30 20 DBED Cc1n[nH]cc1C(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@H]1O 1041269711 CFFGTXJQXLHXFG-CHWSQXEVSA-N 312.333 -0.036 30 20 DBED CC(C)(C)C#CC(=O)N1CC(O)(CNC(=O)c2cn[nH]c2)C1 1041657431 LAUKIMGFJURNPJ-UHFFFAOYSA-N 304.350 -0.238 30 20 DBED C=CCCO[C@H](C)C(=O)NCC1(O)CN(C(=O)c2ncc[nH]2)C1 1041874083 OMHDENGYHNEJEM-LLVKDONJSA-N 322.365 -0.306 30 20 DBED C=CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)[C@H]2CCOC2)C1 1041889371 MPVJIHKDRMYNGE-NEPJUHHUSA-N 312.366 -0.697 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)C=C2CCC2)C1 1042493954 WXCNEKMCWPCDJP-GFCCVEGCSA-N 306.362 -0.176 30 20 DBED CN(C(=O)c1ccc(C#N)[nH]1)C1CN(CCN2CCNC2=O)C1 1042629153 SYRRJBGOXKURNY-UHFFFAOYSA-N 316.365 -0.332 30 20 DBED C#CCCCCC(=O)NCC1(O)CN(C(=O)C(C)(C)C(N)=O)C1 1042663974 KUYVGNVNDNIRLW-UHFFFAOYSA-N 323.393 -0.619 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)[C@H]2CN(C)C[C@@H]2C)C1 1042941599 PJSSFCVHOPUCLX-KBPBESRZSA-N 321.421 -0.467 30 20 DBED N#Cc1cncc(N2C[C@H](O)[C@H](NC(=O)c3cnns3)C2)n1 1043864154 TWHVDPMMAAFPMB-BDAKNGLRSA-N 317.334 -0.821 30 20 DBED Cn1ccc(C(=O)N[C@@H]2CN(c3ccnc(C#N)n3)C[C@@H]2O)n1 1043971571 KJWQAHQQGSAOOD-MNOVXSKESA-N 313.321 -0.939 30 20 DBED C=C[C@@H](C)[C@H](C)C(=O)N1CC(O)(CNC(=O)c2[nH]nnc2C)C1 1044370825 SHUYHNNNSYKCET-ZJUUUORDSA-N 321.381 -0.126 30 20 DBED Cc1cc(=O)c(C(=O)N2CC(O)(CNC(=O)[C@@H](C)C#N)C2)c[nH]1 1045546684 PMKMNAYGAGACFI-VIFPVBQESA-N 318.333 -0.854 30 20 DBED N#CCN1CC[C@@H](N2CCN(C(=O)CN3CCCC3=O)CC2)C1 1046001302 KICGLOQPPWEARC-CQSZACIVSA-N 319.409 -0.649 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@]2(C)CCCS2(=O)=O)C1 1047561266 ZMVKOQYVIGIHSG-OBJOEFQTSA-N 316.423 -0.357 30 20 DBED C=C(C)CN1C[C@H](O)[C@@H](N(C)C(=O)c2cccnc2C(N)=O)C1 1047637363 WCVAEEVHISJYGP-STQMWFEESA-N 318.377 -0.126 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C(N)=O)ccn2)C1 1047660458 BFTFTUWNFRPOHJ-STQMWFEESA-N 304.350 -0.516 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)NC(N)=O)C1 1048733309 IFHSCBZXYXUCFM-DCAQKATOSA-N 312.370 -0.961 30 20 DBED C=C[C@](C)(O)CC(=O)N(C)[C@H]1CN(C(=O)c2ncc[nH]2)C[C@@H]1O 1048761703 GDYRAEAWDBRGLB-PGUXBMHVSA-N 322.365 -0.620 30 20 DBED C#CCO[C@H](C)C(=O)N(C)[C@H]1CN(C(=O)[C@H]2CCCO2)C[C@@H]1O 1048852046 CSYUYWPJNGOMKA-ZOBORPQBSA-N 324.377 -0.766 30 20 DBED CC#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1ncn(C)c1=O 1049562267 VJMJFWSVHOMZSJ-KBPBESRZSA-N 317.393 -0.330 30 20 DBED COc1coc(C(=O)NC[C@H]2COCCN2CC#N)cc1=O 1051024633 DGUOHADDHCAHHE-JTQLQIEISA-N 307.306 -0.397 30 20 DBED CC(C)C#CC(=O)N[C@@H](C)[C@H]1CCN(C(=O)c2nnn(C)n2)C1 1051341258 GMKDVGKVZCKBCJ-RYUDHWBXSA-N 318.381 -0.164 30 20 DBED N#Cc1ccc(N2CC[C@H](NC(=O)c3cnon3)[C@@H](O)C2)nc1 1051720397 XYFWVIVSLBMUSQ-JQWIXIFHSA-N 314.305 -0.294 30 20 DBED C=CCN1CCN([C@H]2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)CC1 1052085242 BASLATKLLXHRRX-MJBXVCDLSA-N 306.410 -0.488 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)c3ccc(=O)n(C)n3)CO2)C1 1054002348 WTZVIUAFNXZBBV-LBPRGKRZSA-N 316.361 -0.623 30 20 DBED CC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1COC2(C1)CN(CC#N)C2 1054019574 YMNIAJVJOSJBRR-QWHCGFSZSA-N 306.366 -0.520 30 20 DBED N#Cc1nccnc1N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(N)=O)C2 1054839419 JDIDLCLNPKKQJW-AEJSXWLSSA-N 300.322 -0.375 30 20 DBED CC(=O)N1CC(C(=O)N2CCN(c3cncc(C#N)n3)CC2)C1 1055783779 ZNKOGPCWRDOEGX-UHFFFAOYSA-N 314.349 -0.525 30 20 DBED C#CCCCC(=O)N1CCC[C@](CO)(NC(=O)c2cnn[nH]2)C1 1056006041 XWLYLWWSUHPTRA-HNNXBMFYSA-N 319.365 -0.309 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@](CO)(NC(=O)c2nc[nH]n2)C1 1056045980 WMSMVLCIEIQGOF-RNCFNFMXSA-N 306.326 -0.952 30 20 DBED CCn1ncc(C(=O)N[C@H]2[C@@H]3CN(c4cncc(C#N)n4)C[C@@H]32)n1 1056200291 DMAVSKPNJRSZAH-YABSGUDNSA-N 324.348 -0.176 30 20 DBED N#Cc1ccc(N2C[C@H]3[C@H](NC(=O)Cn4nccn4)[C@H]3C2)nc1 1056316009 OEBBCKILQIBVCF-JYAVWHMHSA-N 309.333 -0.204 30 20 DBED CN1C[C@@H](C(=O)N2CC[C@@H](Nc3cnc(C#N)cn3)C2)NC1=O 1056745019 MPCKGCBTFVOLRN-KOLCDFICSA-N 315.337 -0.615 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)c1cncs1 1057193825 PTHOPGPLJOALPV-UHFFFAOYSA-N 313.379 -0.104 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)CN1CCCC1 1057446754 IAGFGWSUKFFCBS-UHFFFAOYSA-N 309.410 -0.177 30 20 DBED N#CCSCC(=O)NCCN(CCO)C(=O)[C@H]1CC1(F)F 1057503438 IFBDHWNMJOQCMP-SECBINFHSA-N 321.349 -0.165 30 20 DBED C#CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)c1ccnnc1 1057584166 GJJNQXNMFMQRNK-LBPRGKRZSA-N 320.349 -0.934 30 20 DBED O=C(C#CC1CC1)NCCN(CCO)C(=O)CN1CCCC1 1057640110 CHCSZMZZOKXYKK-UHFFFAOYSA-N 307.394 -0.567 30 20 DBED N#Cc1nccnc1N1CCC[C@H](NC(=O)[C@@H]2COCCO2)C1 1058120304 LXKFTPLHSINEJW-AAEUAGOBSA-N 317.349 -0.151 30 20 DBED C=C[C@](C)(CCOC)C(=O)N(CCO)CCNC(=O)COC 1058177776 HMHVWEUQXQHVGK-OAHLLOKOSA-N 316.398 -0.201 30 20 DBED N#Cc1nccnc1N1CC[C@@H](NC(=O)[C@H]2CCC(=O)N2)C1 1058313525 RPORMNMKQNXUDM-NXEZZACHSA-N 300.322 -0.678 30 20 DBED CN1C[C@@H](C(=O)N[C@@H]2CCN(c3cncc(C#N)n3)C2)NC1=O 1058504025 DHSOYWFQMALYBH-KOLCDFICSA-N 315.337 -0.933 30 20 DBED C#CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)c1ccnnc1 1058937012 ITCHJGKIIQAUTK-LBPRGKRZSA-N 320.349 -0.934 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H]1CCN(C(=O)C(F)F)C1 1058980683 RZLPAKQUOHEZFC-JTQLQIEISA-N 315.320 -0.254 30 20 DBED N#Cc1cncc(NC[C@@H]2CCN(C(=O)[C@H]3COC(=O)N3)C2)n1 1060864998 HYVZOUARLPLMOF-GXSJLCMTSA-N 316.321 -0.283 30 20 DBED C=CCCC(=O)NC[C@H]1COCCN1C(=O)CCn1cnnn1 1061412739 RRZSAOCYGDEUPK-LBPRGKRZSA-N 322.369 -0.627 30 20 DBED CC(=O)N(C)CC(=O)N1CCOC[C@@H]1CNC(=O)C#CC(C)C 1061565969 CMZCATRAFKEZSX-AWEZNQCLSA-N 323.393 -0.532 30 20 DBED C[C@H](C#N)C(=O)N1CCCC[C@@H]1CNC(=O)Cn1cnnc1O 1062333092 GXFSGERAPGLVEJ-GHMZBOCLSA-N 320.353 -0.359 30 20 DBED N#Cc1cnccc1N1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCNC1=O 1062556294 XUINQDGXKADKIB-RWMBFGLXSA-N 311.345 -0.121 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H]1CCCN1C(=O)[C@@H]1COC(=O)N1 1063479293 WYFVLIQKEWHIAC-YPMHNXCESA-N 315.333 -0.114 30 20 DBED C#CCO[C@H](C)C(=O)N(C)CCCN(C)C(=O)c1nc[nH]n1 1067426951 CHFFMUZQGALUHC-LLVKDONJSA-N 307.354 -0.237 30 20 DBED N#Cc1cncc(N2C[C@H]3C(CNC(=O)c4cnn[nH]4)[C@@H]3C2)n1 1068209518 GJJIOIXWATVEPW-QWRGUYRKSA-N 310.321 -0.421 30 20 DBED N#Cc1cncc(NC[C@H]2C[C@H](NC(=O)[C@H]3CNC(=O)N3)C2)n1 1068573148 KUJNHVKXJLYQIM-FXPVBKGRSA-N 315.337 -0.664 30 20 DBED C=CCCC(=O)N[C@H]1COC2(C1)CN(C(=O)[C@@H](C)NC(C)=O)C2 1068747804 NETHKFAQPDMHFJ-DGCLKSJQSA-N 323.393 -0.037 30 20 DBED C#CCC1(C(=O)N2CC3(C[C@H](NC(=O)C(N)=O)CO3)C2)CCC1 1068992070 FJVFVAFVQREWNR-NSHDSACASA-N 319.361 -0.849 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2nocc2C)C1 1070070813 UXKIWGFRPVPYRO-NEPJUHHUSA-N 300.322 -0.137 30 20 DBED C=C(C)CN[C@@H]1CN(C(=O)c2[nH]nnc2C)C[C@@H]1n1ccnn1 1070248291 UELUJYNIMOIVAT-NEPJUHHUSA-N 316.369 -0.064 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)c2cc(CC)[nH]n2)CC1 1070939291 DGDACTGJPXXSSQ-UHFFFAOYSA-N 317.393 -0.131 30 20 DBED COc1nc(C(=O)N2CCC(=O)NCCN(CC#N)CC2)co1 1070982660 FJSUQGZWDLLQKN-UHFFFAOYSA-N 321.337 -0.529 30 20 DBED C[C@H]1CN(C(=O)CSCC#N)C[C@H]1NC(=O)Cc1nc[nH]n1 1071661925 QGOSRNOGRRKLTF-VHSXEESVSA-N 322.394 -0.433 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)C(C)(C)F)C1 1071922252 QVKGILWSLZIVPB-MNOVXSKESA-N 311.357 -0.163 30 20 DBED C=CCCOCC(=O)N1C[C@@H](C)[C@@H](NC(=O)CNC(C)=O)C1 1072329336 JLDBBGGCVWYMIX-YPMHNXCESA-N 311.382 -0.322 30 20 DBED CC(C)C#CC(=O)N1CC[C@@H](NC(=O)Cn2cnnn2)[C@@H](C)C1 1073692696 PWPAOZNTQATVHJ-QWHCGFSZSA-N 318.381 -0.314 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)CN3C(=O)CCC3=O)C[C@@H]21 1074403233 SJUZSAWBKSLAFU-QWHCGFSZSA-N 319.361 -0.930 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CN3CC4CC3(CO2)C4)C1 1077418140 KNJKCFTWCYCTNK-VXSWHIBVSA-N 321.421 -0.413 30 20 DBED C[C@@H](CCNC(=O)[C@H](C)C#N)NC(=O)c1cc(=O)n(C)cn1 1078136012 BJIKFTUBQXVFIR-ZJUUUORDSA-N 305.338 -0.435 30 20 DBED C=C(C)CN1C[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)[C@H](C)C1 1080869455 LHXBSEDMPWMZBL-DGCLKSJQSA-N 307.398 -0.097 30 20 DBED CC(C)OCC(=O)NC[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1081321629 PBLVGKXPQIIDLR-UONOGXRCSA-N 308.378 -0.240 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)C2(NC(N)=O)CC2)C[C@@H]1O 1081336285 WKXHTUATNGAAEZ-QWRGUYRKSA-N 324.381 -0.911 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)c2cc[nH]n2)C[C@H]1O 1081463974 USQKMXGKLZJVFH-WCQYABFASA-N 304.350 -0.382 30 20 DBED CC(C)(O)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C#CC2CC2)C1 1081470773 FSOYUAWCNXHACD-QWHCGFSZSA-N 308.378 -0.504 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](O)[C@H](CNC(=O)CC(=O)N(C)C)C1 1081497615 YZKJGJVUHNIVRZ-CHWSQXEVSA-N 323.393 -0.940 30 20 DBED CC#CCN1C[C@@H](NC(=O)c2ccoc2CC(N)=O)[C@H](OC)C1 1082067299 DPFPABJKBKFOKO-TZMCWYRMSA-N 319.361 -0.240 30 20 DBED CC#CCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCN(C)S1(=O)=O 1085868480 QPEGTGJOWFGJAF-CHWSQXEVSA-N 313.423 -0.424 30 20 DBED CCN(c1ccc(C#N)nn1)[C@H](C)CNC(=O)[C@@H]1COC(=O)N1 1089636381 WZQUDBSKUWBLDH-KOLCDFICSA-N 318.337 -0.212 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2c(C)nnn2CC)[C@@H](O)C1 1090321695 HPMIIQBQBGXUST-OLZOCXBDSA-N 305.382 -0.205 30 20 DBED C=CCCN1CC[C@H](NC(=O)Cn2nc(C)n(C)c2=O)[C@@H](O)C1 1090771426 SAMSNCALLMDIDX-STQMWFEESA-N 323.397 -0.982 30 20 DBED C#CCN1CC[C@@H](NC(=O)CN2CCCCCC2=O)[C@@H](O)C1 1090788823 ARZHUALPTODUIM-KGLIPLIRSA-N 307.394 -0.426 30 20 DBED CN(C)CCOCC(=O)N1CCN(c2ccnc(C#N)n2)CC1 1093166193 HPSHDULKZKKSKU-UHFFFAOYSA-N 318.381 -0.425 30 20 DBED COC(=O)NCC(=O)NC1[C@H]2CN(c3ccc(C#N)cn3)C[C@H]12 1093240295 UCVIWPNKKXBJMF-QWRGUYRKSA-N 315.333 -0.140 30 20 DBED N#Cc1cccnc1N1C[C@@H]2C(NC(=O)CCn3cnnn3)[C@H]2C1 1093294724 YSENQQYYRHXUFF-RYUDHWBXSA-N 324.348 -0.419 30 20 DBED CC(C)[C@@H]1N(C(=O)CC(N)=O)C[C@@]12C[C@@H](O)[C@H](NCC#N)C2 1093437424 RHGCUPLJILTLBN-HKCMKHECSA-N 308.382 -0.649 30 20 DBED CCc1nc(C#N)cc(NCCNC(=O)[C@H]2CC[C@H]2C(N)=O)n1 1094034396 KKLSWCPHVMQNOV-MNOVXSKESA-N 316.365 -0.050 30 20 DBED C=CCN1CC(n2cc(CNC(=O)[C@@H]3CCN(C)C3=O)nn2)C1 1094311421 ZADPVPCONGNHFM-ZDUSSCGKSA-N 318.381 -0.585 30 20 DBED Cc1cc(C#N)nc(NCCCNC(=O)[C@H]2COCCO2)n1 1094329198 KACJRKOIIUJBNJ-GFCCVEGCSA-N 305.338 -0.010 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)c3cc(OC)no3)CC2=O)C1 1094726849 BDPWMZRUPPHQAM-SNVBAGLBSA-N 318.333 -0.669 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H]1CCN(C(=O)CCNC(N)=O)C1 1095035356 XFLCPLCTECPIJD-LLVKDONJSA-N 302.338 -0.554 30 20 DBED CNC(=O)NCC(=O)N1CC[C@@H](N(C)c2ncccc2C#N)C1 1095156638 MPCBCUXJYHBSQM-GFCCVEGCSA-N 316.365 -0.081 30 20 DBED CCN(CCCNC(=O)[C@H]1COC(=O)N1)c1cncc(C#N)n1 1095870760 HMYUZCGQCCMECZ-LLVKDONJSA-N 318.337 -0.211 30 20 DBED CC(C)(C(N)=O)C(=O)N[C@@H]1CCN(c2cnc(C#N)cn2)C1 1096445056 UFGSJRYABOSHSD-SECBINFHSA-N 302.338 -0.445 30 20 DBED N#Cc1nc(=N[C@H]2C[C@@H](NC(=O)CCCCC(N)=O)C2)cc[nH]1 1097212688 BDFCDKNLCDMZTQ-PHIMTYICSA-N 316.365 -0.125 30 20 DBED C[C@@H](CCNC(=O)[C@H]1CCC(=O)N1)Nc1cnc(C#N)cn1 1098930628 RZYJLHWESBOCLT-GXSJLCMTSA-N 302.338 -0.066 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)C(F)=C(C)C)[C@H](O)C1 1099780701 LNBKTUAOPNRNJE-VXGBXAGGSA-N 311.357 -0.449 30 20 DBED Cn1cncc1CN1CC[C@@H](NC(=O)C#CC2CC2)[C@H](O)C1 1099824838 ZWWSDDJCDHMEQQ-HUUCEWRRSA-N 302.378 -0.115 30 20 DBED C=C(Cl)CN1CC[C@@H](NC(=O)CCn2cnnn2)[C@H](O)C1 1100045837 FCWQYVYIIIYNBW-GHMZBOCLSA-N 314.777 -0.633 30 20 DBED CN(CCNC(=O)C[C@H]1CCC(=O)NC1)c1cncc(C#N)n1 1100182782 SEZVXUUACCRNPG-LLVKDONJSA-N 316.365 -0.183 30 20 DBED CNC(=O)CC(=O)NC[C@H]1CCCN1c1nccnc1C#N 1100816105 NXAGLBXHCUYWFW-SNVBAGLBSA-N 302.338 -0.431 30 20 DBED CCC(=O)NCC(=O)NCCN(c1cnc(C#N)cn1)C1CC1 1101305313 KDOVKRULFRNHBH-UHFFFAOYSA-N 316.365 -0.041 30 20 DBED N#Cc1nccnc1N(CCNC(=O)Cn1cncn1)C1CC1 1101345467 OHJNBUGZFDSQGD-UHFFFAOYSA-N 312.337 -0.275 30 20 DBED CN(CCNc1nccnc1C#N)C(=O)[C@@H]1CCNC(=O)C1 1101548085 BYCBLOGXXCOKGO-SNVBAGLBSA-N 302.338 -0.255 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H](CC)N=c1cc[nH]cc1C#N 1103039131 BRKXHXUWCXTLAE-CYBMUJFWSA-N 313.361 -0.179 30 20 DBED CC[C@@H](CNC(=O)[C@H]1CNC(=O)N1)N=c1cc(C)[nH]cc1C#N 1103277743 NYAVVOOEFDRNON-WCQYABFASA-N 316.365 -0.328 30 20 DBED CC(=O)N[C@H](C)C(=O)N(C)[C@H](C)CN=c1cc[nH]c(C#N)n1 1104478075 VQNWRXGDCUSJJT-NXEZZACHSA-N 304.354 -0.446 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)CNC(=O)C1CC1 1104483418 SQZUITIZVRVJKM-JTQLQIEISA-N 316.365 -0.445 30 20 DBED Cc1cc(=NC[C@H](C)N(C)C(=O)CS(C)(=O)=O)c(C#N)c[nH]1 1104497913 OETKRGVHODFWKU-NSHDSACASA-N 324.406 -0.013 30 20 DBED COCCCNCc1cn(C2CN(C(=O)[C@H](C)C#N)C2)nn1 1105189349 BVFLBXMMCLVPMI-LLVKDONJSA-N 306.370 -0.053 30 20 DBED C#CCCNCc1cn(C2CN(C(=O)c3nc[nH]n3)C2)nn1 1105346307 YUTMHXASMMHGER-UHFFFAOYSA-N 300.326 -0.794 30 20 DBED Cc1cc(C(=O)NC[C@H](O)CNc2cnc(C#N)cn2)no1 1105710348 ZYSDKHYIWZRRFS-SNVBAGLBSA-N 302.294 -0.153 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)[C@@H]2CCNC(=O)C2)nc1 1105790656 KUBDDCWGIWVPEI-VXGBXAGGSA-N 317.349 -0.632 30 20 DBED N#Cc1cnc(NC[C@H](O)CNC(=O)Cc2cncnc2)cn1 1105805745 ICOXJBBFXRYFDX-LBPRGKRZSA-N 313.321 -0.730 30 20 DBED N#Cc1cncc(NC[C@H](O)CNC(=O)c2ccc(O)nc2)n1 1105848530 PZEHJGMQQGVSIP-NSHDSACASA-N 314.305 -0.348 30 20 DBED CC(C)N(C)CC(=O)NC[C@H](O)CNc1cncc(C#N)n1 1105869504 VCJUCZQMTDWYIB-GFCCVEGCSA-N 306.370 -0.423 30 20 DBED CCN(C)CCC(=O)NC[C@@H](O)CNc1nccnc1C#N 1105944157 KSFLFMILWFHGGB-LLVKDONJSA-N 306.370 -0.421 30 20 DBED C[C@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)[C@@H]1CCNC1=O 1106516653 VQTGBCGLSVAEIK-NXEZZACHSA-N 302.338 -0.787 30 20 DBED C#CCNC[C@@H]1CN(C(=O)CN2CCC(=O)NC2=O)C[C@H]1C 1106843758 KATUQLGWSUUVTJ-VXGBXAGGSA-N 306.366 -0.754 30 20 DBED CCOCCOCC(=O)NC/C=C\CN=c1cc[nH]c(C#N)n1 1107223712 HGDSPTHEXWELTH-ARJAWSKDSA-N 319.365 -0.092 30 20 DBED Cc1cc(=NC/C=C/CNC(=O)Cn2ncnn2)c(C#N)c[nH]1 1107354840 OAAGWGXNLRQJEG-NSCUHMNNSA-N 312.337 -0.545 30 20 DBED CN1C[C@H](C(=O)NC/C=C/CNc2ccc(C#N)nn2)CC1=O 1107568326 FRDIYTFAAYRNRA-KXMPLOMGSA-N 314.349 -0.089 30 20 DBED C[C@H](CN=c1cc[nH]cc1C#N)NC(=O)[C@@H]1CCNC(=O)C1 1107687536 ZMKOYKADMNBZMW-GHMZBOCLSA-N 301.350 -0.182 30 20 DBED C#CCCN1CCO[C@](C)(CNC(=O)[C@@H]2CCC(=O)N2C)C1 1108136472 RHESBUPDJQOLDT-XJKSGUPXSA-N 307.394 -0.162 30 20 DBED C[C@@H](CNc1ccc2nnnn2n1)NC(=O)c1cc(C#N)c[nH]1 1108297674 DSFNCQUJHPHSJL-QMMMGPOBSA-N 311.309 -0.051 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)COC[C@H]1CCCO1 1108431474 ASJREXCALVPWIX-NWDGAFQWSA-N 319.365 -0.118 30 20 DBED C#CCOCCC(=O)N[C@@H]1CC(=O)N(C2CN(CC=C)C2)C1 1108545884 IJKFIODHEPCLKC-CYBMUJFWSA-N 305.378 -0.386 30 20 DBED N#Cc1ccc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)CCc2nc[nH]n2)nn1 1109693349 SGBMTAOGTNIOPE-BPYAMOTFSA-N 324.348 -0.208 30 20 DBED N#Cc1cncc(NC[C@@H](NC(=O)[C@H]2COC(=O)N2)C2CC2)n1 1109832365 FJZUTEQAQFNWIL-GHMZBOCLSA-N 316.321 -0.237 30 20 DBED CN1CCO[C@H](C(=O)NCC2(Nc3ccnc(C#N)n3)CC2)C1 1110090386 AHFKMMSVROJYNO-NSHDSACASA-N 316.365 -0.260 30 20 DBED CC(C)(C(N)=O)C(=O)NCC1(Nc2cnc(C#N)cn2)CC1 1110255968 FGKMSCHJIYEGND-UHFFFAOYSA-N 302.338 -0.080 30 20 DBED N#Cc1ccc(NC2(CNC(=O)[C@H]3CNC(=O)N3)CC2)nn1 1110324308 IFPVIMCXQSVXAX-SECBINFHSA-N 301.310 -0.910 30 20 DBED COCC(=O)NC[C@]1(O)CCN(c2ccc(C#N)c(C)n2)C1 1111033642 UPUKTLLESUXLHL-OAHLLOKOSA-N 304.350 -0.035 30 20 DBED C=CCOCC(=O)NC[C@]1(O)CCN(c2ccnc(C#N)n2)C1 1111039654 MBKAHYIRIYLJOB-OAHLLOKOSA-N 317.349 -0.392 30 20 DBED C[C@@H](C#N)C(=O)NC1(CO)CCN(c2cncc(C#N)n2)CC1 1112657030 MSTMKZHJTFYWAL-NSHDSACASA-N 314.349 -0.045 30 20 DBED CC(=O)NCC(=O)NC[C@@H]1CN(c2ncccc2C#N)C[C@H]1O 1112695575 WNUCUPCAMTWYLQ-CHWSQXEVSA-N 317.349 -0.997 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)C[C@H]2COC(=O)C2)CC1 1112767159 HIVJELHXHWGCKL-CHWSQXEVSA-N 323.393 -0.226 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)c2nccn2CC)CC1 1112806899 WTWQVLCMYVYACH-CYBMUJFWSA-N 317.393 -0.201 30 20 DBED C#CCC1(C(=O)N2CCN(CCOCCO)CC2)CCOCC1 1112949921 AFEBQJRFHREMIE-UHFFFAOYSA-N 324.421 -0.040 30 20 DBED CNC(=O)NCCC(=O)NC[C@@H](C)N(C)c1cncc(C#N)n1 1113596758 BLVUWNWPAULTAZ-SNVBAGLBSA-N 319.369 -0.392 30 20 DBED C[C@H](CNC(=O)[C@H]1CCC(=O)N1C)N(C)c1ccnc(C#N)n1 1113830441 RTXJADXYOSYHHF-GHMZBOCLSA-N 316.365 -0.090 30 20 DBED C[C@H](C(=O)NC1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]12)n1cccn1 1113894374 UFHSTLHYLPVAOI-IJLUTSLNSA-N 316.365 -0.870 30 20 DBED CN1CC[C@@H](N2C[C@H]3[C@H](NC(=O)CSCC#N)[C@H]3C2)C1=O 1113898774 BLGLNIKXSAEJLZ-XZUYRWCXSA-N 308.407 -0.480 30 20 DBED C=CCCC(=O)NC1[C@@H]2CN(CCNS(=O)(=O)CC)C[C@@H]12 1114024525 BCZMYYZANQLQOB-VXGBXAGGSA-N 315.439 -0.062 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3ccncc3C)[C@H]2C1 1114226497 NOVPXCASYGOXRN-KBPBESRZSA-N 312.373 -0.201 30 20 DBED N#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3ccc(Cl)[nH]3)[C@H]2C1 1114795957 COQUKLNNMVUSPI-WOFXILAISA-N 321.768 -0.032 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)[C@@H](C)CCCOC)[C@@H]2C1 1115086334 SCSGUDXIQANMQI-BFHYXJOUSA-N 321.421 -0.155 30 20 DBED C[C@H](CN(C)C(=O)c1nccnc1N)N=c1cc[nH]c(C#N)n1 1115689992 BHQSXGIPWKJGEZ-SECBINFHSA-N 312.337 -0.285 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)NC[C@H]2CCCCN2C2CC2)CCO1 1117611646 GMKFVYOWDHTISC-KGLIPLIRSA-N 320.393 -0.130 30 20 DBED COC[C@H](CO)NC(=O)C(=O)Nc1ccc(OCC#N)cc1 1117676472 GNNSCMZJCGOTTJ-NSHDSACASA-N 307.306 -0.349 30 20 DBED N#C[C@@]1(F)CCN(C(=O)C(=O)N[C@@H]2CCN(CC(F)F)C2)C1 1118117684 LFPTVCXTEWKTON-RNCFNFMXSA-N 318.299 -0.094 30 20 DBED CN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCc1cn(C)nn1 1118341586 CVWRPDZKUOLAMD-UHFFFAOYSA-N 312.333 -0.038 30 20 DBED COCc1nc(C)cc(N[C@@H](CO)CNC(=O)[C@@H](C)C#N)n1 1121204500 HRTQHYIWENJHPN-GXSJLCMTSA-N 307.354 -0.020 30 20 DBED CCOCCCC(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1 1121229449 XZRGNCPEDBZSRI-NSHDSACASA-N 307.354 -0.524 30 20 DBED N#Cc1cccnc1N[C@H](CO)CNC(=O)Cc1nc[nH]n1 1121994776 RQWUVESPWAUOBA-JTQLQIEISA-N 301.310 -0.797 30 20 DBED COCCO[C@@H](C)C(=O)NC[C@H](CO)Nc1cnc(C#N)cn1 1122013673 UHWPBYFSSDCDHO-CMPLNLGQSA-N 323.353 -0.711 30 20 DBED Cn1cncc1C(=O)NC[C@H](CO)Nc1cnc(C#N)cn1 1122218552 IDMMMKFLDNLAAR-SNVBAGLBSA-N 301.310 -0.715 30 20 DBED Cc1ccc(C#N)c(N[C@H](CO)CNC(=O)[C@H]2CCNC2=O)n1 1122353603 CFNZIGQEEWLNFI-RYUDHWBXSA-N 317.349 -0.713 30 20 DBED C[C@@]1(C(=O)NC[C@H](CO)Nc2ccc(C#N)nc2)CCNC1=O 1122544046 QWQIKLNAWYKTTP-IUODEOHRSA-N 317.349 -0.632 30 20 DBED CN(C[C@H](O)CNc1ccc(C#N)nn1)C(=O)c1cccnn1 1124459877 DWWIUKRPNJPFBI-LLVKDONJSA-N 313.321 -0.317 30 20 DBED COC[C@@H](C)C(=O)N(C)C[C@H](O)CN(C)c1cnc(C#N)cn1 1124988340 IYBZVNZUPWMFIR-DGCLKSJQSA-N 321.381 -0.114 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C[C@@H](O)CN(C)c1cc(F)ncn1 1125161607 LVXDOZQVYMDABV-NEPJUHHUSA-N 324.356 -0.091 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(CC#C)C[C@@H]1n1ccnn1 1128976360 RMSODEDTXRXKSY-MJBXVCDLSA-N 301.350 -0.709 30 20 DBED C#CCCN[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@@H]1n1ccnn1 1129811649 LOHJARLORJENCI-NEPJUHHUSA-N 314.353 -0.915 30 20 DBED C#CCCCC(=O)N1C[C@H]2C[C@@H]3CN([C@H](C)C(N)=O)C[C@]2(C1)O3 1131219697 ALSGFHSTOAFVLB-VMUDFCTBSA-N 319.405 -0.035 30 20 DBED C[C@@H](CC(N)=O)C(=O)N1C[C@H]2C[C@@H]3CN(CC#N)C[C@]2(C1)O3 1131251853 DUYRJTBWZVOWDM-FUTJPDQTSA-N 306.366 -0.677 30 20 DBED C=CCCN1C[C@H]2C[C@H]3CN(C(=O)CCNC(N)=O)C[C@@]3(C1)O2 1131289897 SDTQLGCTKBTMFL-WOSRLPQWSA-N 322.409 -0.077 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)Cn2cncc2C)C1=O 1131380174 FHOFEKGWQXHOBR-CYBMUJFWSA-N 305.382 -0.316 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)COCC=C)CC[C@H]1C 1131945934 DFKOGIGHMHRGEY-KGLIPLIRSA-N 307.394 -0.093 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)c2cnnn2C)CC[C@H]1C 1132006540 MJUKRIFEJQACEM-NEPJUHHUSA-N 320.397 -0.300 30 20 DBED C=CCNC(=O)CN1C[C@H](NC(=O)c2[nH]nnc2C)CC[C@@H]1C 1132214023 AOEZGXKSIWONDP-CMPLNLGQSA-N 320.397 -0.002 30 20 DBED CC#CCN1C[C@H](NC(=O)CS(=O)(=O)N(C)C)CC[C@@H]1C 1132454536 YBMONRCRHYNAOP-QWHCGFSZSA-N 315.439 -0.130 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@@H]1CCc2cccnc21 1132978718 LMNOYNCDMGYMDZ-CYBMUJFWSA-N 300.362 -0.433 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)CC(C)(F)F 1133446275 ARCGCWMYIOQIDB-UHFFFAOYSA-N 306.313 -0.251 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@@H]1CC(=O)N(CCC)C1 1134507997 PHKGUBMJSQKCSX-GFCCVEGCSA-N 310.398 -0.747 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1nc(C)ncc1Cl 1134839098 OGHMSQBRQLUQPQ-SECBINFHSA-N 323.784 -0.104 30 20 DBED C#CCCN[C@H](C)C[C@@H](C)NC(=O)CN1CC(=O)N(C)C1=O 1135920520 VTAUZOUSZJQVMF-VXGBXAGGSA-N 308.382 -0.223 30 20 DBED CC[C@H]1C[C@H](CC(=O)NCCNCC(=O)NCC#N)CCO1 1146960225 UCHBVOZHUJEOIJ-OLZOCXBDSA-N 310.398 -0.073 30 20 DBED COCC#CCNCCNC(=O)c1cn([C@@H]2CCOC2)nn1 1147016774 WVXTVSVILACQDR-GFCCVEGCSA-N 307.354 -0.791 30 20 DBED C#CCOCCC(=O)N1CC2(CCN(Cc3cnn(C)n3)C2)C1 1147530958 SZZVCNIBSRANHI-UHFFFAOYSA-N 317.393 -0.111 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H](C)Oc1ccccn1 1148122885 YUSKAIFZKSNXKU-CHWSQXEVSA-N 318.377 -0.307 30 20 DBED C#CCCN1CCC2(C1)CN(C(=O)[C@@H](C)NS(C)(=O)=O)C2 1148352013 XOXMHGLOLMXFDY-GFCCVEGCSA-N 313.423 -0.518 30 20 DBED C#CCNC(=O)CN1CCCO[C@@H](CNC(=O)[C@@H](C)C2CC2)C1 1149473744 PBCJGKHOETVCKB-ZFWWWQNUSA-N 321.421 -0.011 30 20 DBED C=CCCN1CCCO[C@@H](CNC(=O)CCn2cnnn2)C1 1150499464 WKFIFNHFTYWVGP-ZDUSSCGKSA-N 308.386 -0.154 30 20 DBED C=CCN(CC)[C@H](C)CNC(=O)CNS(=O)(=O)N(C)C 1155528579 KOORDDNCFQQWPD-LLVKDONJSA-N 306.432 -0.605 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCCNCC(=O)NCC1CC1 1160197876 LLTXVSRJWDATJH-HNNXBMFYSA-N 320.437 -0.294 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@@H]1CCc2cccnc21 1165237421 KTPPLLIFLDOHMP-CQSZACIVSA-N 314.389 -0.043 30 20 DBED C#CCNC(=O)CNCC1(CCNC(=O)[C@@H]2CCN(C)C2)CC1 1168137526 OOQCMEQKGJYYOW-CQSZACIVSA-N 320.437 -0.436 30 20 DBED CC#CCNCC1(CCNC(=O)c2cn(CC(N)=O)nn2)CC1 1168320601 FRTLYYOPMHVAGE-UHFFFAOYSA-N 318.381 -0.724 30 20 DBED N#CCNC(=O)CNCCCNC(=O)c1cnn(C(F)F)c1 1169263248 OZGZUYNSBSJJKY-UHFFFAOYSA-N 314.296 -0.373 30 20 DBED COCC#CCNC[C@]1(C)CN(C(=O)[C@@H]2COC(=O)N2)C[C@H]1C 1181337158 SIQCQDYJWJKBBD-DVOMOZLQSA-N 323.393 -0.181 30 20 DBED C=CCOCC(=O)N1CC[C@@H](NCc2nnc3n2CCOC3)C1 1181644153 GEMSUQKYRWUPBK-GFCCVEGCSA-N 321.381 -0.299 30 20 DBED C=CCOCCCC(=O)N1CC[C@@H](NCC(=O)NC(N)=O)C1 1181898179 LUAXVNAZODANAA-LLVKDONJSA-N 312.370 -0.645 30 20 DBED COCC#CCNC[C@H]1CCN(C(=O)CNC(N)=O)C[C@@H]1C 1183822021 HMATYZFTIFKMCI-QWHCGFSZSA-N 310.398 -0.621 30 20 DBED C[C@@H]1CN(C(=O)c2cn[nH]c2)CC[C@@H]1CNCC(=O)NCC#N 1183923188 KAJVWTDXWPTQGS-VXGBXAGGSA-N 318.381 -0.263 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)[C@@H](NC(N)=O)C(C)(C)C)C1 1187098756 LUPGYISKUFHLEX-CHWSQXEVSA-N 324.425 -0.090 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)C[C@H]2CCN(C)C2)C1 1187106417 GMCWRNMJJGTMNI-ZIAGYGMSSA-N 308.426 -0.179 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2ccnn2C)C1 1189214464 HZQNBWOSJVQDNN-LBPRGKRZSA-N 305.382 -0.131 30 20 DBED CN(CC(=O)NCC#N)[C@@H]1CCN(C(=O)[C@H]2CC2(F)F)C1 1189997225 ZTYBPIDPDOINEW-NXEZZACHSA-N 300.309 -0.186 30 20 DBED Cc1ncn(C)c1C(=O)N1CC[C@@H](N(C)CC(=O)NCC#N)C1 1190789934 UVYVTBUXLIEZDC-GFCCVEGCSA-N 318.381 -0.485 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2ccnnc2)C1 1192513957 UAHANGLWMQZWQM-ZDUSSCGKSA-N 303.366 -0.075 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)c2cnn(CCOCC)c2)C1 1197274576 SNBVNPMIQYHALM-ZIAGYGMSSA-N 308.382 -0.120 30 20 DBED CN1CC[C@@H](C(=O)N2CCCN(CC(=O)NCC#N)CC2)C1 1198097782 HNZIRMOHPHXCBT-CYBMUJFWSA-N 307.398 -0.888 30 20 DBED N#CCNC(=O)CNC1CCN(C(=O)C[C@@H]2CCOC2)CC1 1199911112 IHGIFCOVXGPFDW-LBPRGKRZSA-N 308.382 -0.367 30 20 DBED CC#CCNC[C@H]1CN(C(=O)c2nnn(C)c2C)CCCO1 1200182204 NZKBYFGZKOIPSW-ZDUSSCGKSA-N 305.382 -0.032 30 20 DBED C[C@@H](C(=O)N1CCCO[C@H](CNCC#N)C1)N1CCOCC1 1202244018 RPFQOTBKCOMHKE-UONOGXRCSA-N 310.398 -0.562 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC(NCC(N)=O)CC1 1202802035 LKXYVCVCRQWXJZ-CYBMUJFWSA-N 310.398 -0.477 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)CC)[C@H](C)C1 1207037968 YGKMDVBIJXUQFQ-IJLUTSLNSA-N 301.412 -0.616 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)c2snnc2C)C1 1207251858 QNGKCSZSSAKKNT-NSHDSACASA-N 321.406 -0.210 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)c2oncc2C)C1 1210446272 MWUCOUVLWGJMIS-LBPRGKRZSA-N 304.350 -0.073 30 20 DBED COCC#CCN1C[C@@H](NC(=O)[C@H]2CCC(=O)N(C)C2)[C@H](C)C1 1211370088 XAHIKQGEBXDEEX-QLFBSQMISA-N 321.421 -0.059 30 20 DBED CC#CCN1C[C@@H](NC(=O)CNC(=O)N2CCCC2)[C@H](OC)C1 1212264498 KDOZVVUPLHXNKC-ZIAGYGMSSA-N 322.409 -0.370 30 20 DBED C#CCOCCC(=O)N1CCO[C@@H]2CN(Cc3cnon3)C[C@@H]21 1217877542 ZBBIKQPFQAKNAH-UONOGXRCSA-N 320.349 -0.479 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(CCCOCC)C[C@@H]1O 1219536535 SXAVMGHJESEDAS-VNHYZAJKSA-N 300.399 -0.099 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2cnc(C)o2)C[C@@H]1O 1219605564 WLBNDHPDBNSFPH-GDLCADMTSA-N 307.350 -0.317 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)CO[C@@H]2CCOC2)C1 1219625514 QDKKOQLBGHKRJE-MCIONIFRSA-N 314.382 -0.844 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@@H](CC)N2CCCC2=O)C1 1221009615 DMPXTGUZVKERBT-MCIONIFRSA-N 307.394 -0.428 30 20 DBED COCC#CCN1CC[C@@H]2CN(C(=O)c3[nH]nnc3C)[C@@H]2C1 1221727972 SOPFWLKDVSMAAM-CHWSQXEVSA-N 303.366 -0.091 30 20 DBED C#CCNC(=O)CC(=O)NC1CCN(Cc2csnn2)CC1 1226961421 BNZMCZMGLACTIV-UHFFFAOYSA-N 321.406 -0.242 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)[C@H]2CCCNC2=O)CC1 1227907773 FZIHICWDRBIJQO-ZDUSSCGKSA-N 322.409 -0.605 30 20 DBED C#CCNC(=O)CC(=O)N(C)C[C@H]1CCN1CCOCC=C 1233808454 ANSVKHSPIKIKCW-CQSZACIVSA-N 307.394 -0.139 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@H]1CN(C)C(=O)c1cnnn1C 1233990170 HFRRENITENMZDS-RYUDHWBXSA-N 318.381 -0.901 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)NCc2ccc3c(c2)CCO3)CCO1 1257111984 ZHBQCRBTNXGLAW-CYBMUJFWSA-N 315.329 -0.011 30 20 DBED CN1CCC2(CC1)NC(=O)N(CN1CCO[C@@H](C#N)C1)C2=O 1318566639 BOXHVXYEHDCXBJ-NSHDSACASA-N 307.354 -0.816 30 20 DBED C#CCNC(=O)C1CCN(C(=O)CSc2n[nH]c(O)n2)CC1 1321310215 PDZRQDHAFOMITJ-UHFFFAOYSA-N 323.378 -0.410 30 20 DBED CC1(CO)CCN(C(=O)C(=O)NC2CCN(CC#N)CC2)CC1 1323265078 IZEVTJIYBQTJDN-UHFFFAOYSA-N 322.409 -0.288 30 20 DBED C=CCn1cc(CNC(=O)CCC[C@@]2(C)NC(=O)NC2=O)nn1 1326169490 FAGQVDWYDOTUPQ-CQSZACIVSA-N 320.353 -0.151 30 20 DBED C=CCCCCNC(=O)C(=O)N[C@H]1CCN(S(C)(=O)=O)C1 1329851021 GULVMLAPTXBPGT-NSHDSACASA-N 317.411 -0.391 30 20 DBED O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)N[C@H]1C=CCC1 1330468799 TXAXTIDWOQWRIF-AGKQBQDBSA-N 318.333 -0.536 30 20 DBED COC(=O)[C@@H](CNC(=O)C#CC1CCNCC1)[C@H]1CCOC1 1342685288 NJVDYPOJPGXZMG-KBPBESRZSA-N 308.378 -0.069 30 20 DBED C[C@@H](NC(=O)C(=O)N1CC[C@](F)(C#N)C1)c1nnc2n1CCC2 1344916196 BVXIZPQZCJCVGC-OTYXRUKQSA-N 320.328 -0.134 30 20 DBED C=CCC1(O)CCN(C(=O)C(=O)NCCNC(=O)C2CC2)CC1 1350365825 FMMCWKFGXWRYBG-UHFFFAOYSA-N 323.393 -0.442 30 20 DBED C=CCn1c([C@H]2CNC(=O)C2)nnc1N1CCO[C@@H](COC)C1 1355379852 PVDIXULXVKWFMA-VXGBXAGGSA-N 321.381 -0.081 30 20 DBED N#Cc1cn(CCC(=O)N2CCSC[C@@H]2CO)c(=O)nc1O 1362176925 QNJLCYLQSLLTJT-JTQLQIEISA-N 324.362 -0.853 30 20 DBED COCCN(CCC#N)C(=O)C1=C(C)N(C)c2nnnn2C1 1362226097 ZTKOGMDRJFONBR-UHFFFAOYSA-N 305.342 -0.214 30 20 DBED N#Cc1cccc(OCCN2C[C@@H](C(N)=O)[C@@H](C(N)=O)C2)c1 1363302603 JNTNKGBJMYONGY-BETUJISGSA-N 302.334 -0.544 30 20 DBED Cn1c(=O)[nH]c(N2CCC[C@H](C3OCCO3)C2)c(C#N)c1=O 1364146957 FKDBQVWGPDPITR-VIFPVBQESA-N 306.322 -0.465 30 20 DBED CC(C)OC[C@H]1CN(c2[nH]c(=O)n(C)c(=O)c2C#N)CCO1 1364167842 GUNSWFPRZWMJDO-SNVBAGLBSA-N 308.338 -0.425 30 20 DBED C[C@@H](CC(N)=O)C(=O)N[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 1372277913 BSSVWOOXEVZJLF-GXSJLCMTSA-N 317.349 -0.271 30 20 DBED CC(C)CN1C[C@@H](C(=O)N2CC(NC(=O)[C@@H](C)C#N)C2)CC1=O 1374751426 RKFWZXKJXLAXFG-RYUDHWBXSA-N 320.393 -0.022 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)CCNC(N)=O)CCCC1 1375290389 UWCOEMFQCFLVHL-SNVBAGLBSA-N 309.370 -0.250 30 20 DBED C[C@@H](CCNC(=O)c1cc(C#N)c[nH]1)NCc1nnn(C)n1 1381183009 UIOGKBUOSVATFS-VIFPVBQESA-N 302.342 -0.292 30 20 DBED COCCN(CCNC(=O)[C@@]1(F)CCOC1)C(=O)[C@H](C)C#N 1396152092 KXRZYHAGDDERCF-BXUZGUMPSA-N 315.345 -0.134 30 20 DBED CC(=O)N(C)CC(=O)NC[C@@H](O)CNCc1cccc(C#N)c1 1401487283 JDABJJKWHVQYAU-HNNXBMFYSA-N 318.377 -0.397 30 20 DBED Cn1cc(C2=NO[C@H](C(=O)N3CC[C@](O)(CC#N)C3)C2)cn1 1412276049 NQTBKLNKWYBSBT-GXTWGEPZSA-N 303.322 -0.210 30 20 DBED Cc1nc(C(=O)NCCn2cc(C#N)c(O)nc2=O)c(C)o1 1412373938 NJUZWOQRTTWZOE-UHFFFAOYSA-N 303.278 -0.145 30 20 DBED COCCN(CCNC(=O)[C@H](C)C#N)C(=O)CN1CCCC1=O 1426069960 FRFLVAKHLMXUIS-GFCCVEGCSA-N 324.381 -0.640 30 20 DBED C[C@@H]1NC(=O)[C@H](C)N(C(=O)NCCn2cnc(C#N)n2)[C@H]1C 1427473710 YSAZTFUKBZGKHA-GUBZILKMSA-N 305.342 -0.543 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CC[C@H](NC(=O)Cn2cncn2)CC1 1432911034 NGXQOYAYJUFXBB-SRVKXCTJSA-N 304.354 -0.019 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)CCCC(N)=O)[C@@H]2C1 1452788986 ZPVKOCNBOWNASU-IJLUTSLNSA-N 306.366 -0.139 30 20 DBED C#CCNC(=O)CNC[C@H]1CCCN1C(=O)CSCC#N 1483921534 JQEFBFJWZZHINC-GFCCVEGCSA-N 308.407 -0.427 30 20 DBED COCCC(=O)N(C)C[C@H](O)CNC(=O)c1c[nH]c(C#N)c1 1488315338 MNGMEOXEMPSPGX-GFCCVEGCSA-N 308.338 -0.528 30 20 DBED C[C@@H](C#N)C(=O)N1CCCO[C@@H](CNC(=O)Cc2cnc[nH]2)C1 1512351812 RDVUIVLUMWRHDW-AAEUAGOBSA-N 319.365 -0.154 30 20 DBED CC(C)(C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[nH]1)S(C)(=O)=O 1573788496 JXQROBLJQBYGEN-UHFFFAOYSA-N 324.326 -0.777 30 20 DBED C#CC[C@]1(C(=O)N[C@H](C)c2nnc3c(=O)[nH]ccn23)CCCN1 1574517050 KNHUCLBQTVRDPX-MEBBXXQBSA-N 314.349 -0.260 30 20 DBED CN(C[C@@H]1CCN1CC#N)C(=O)[C@@H]1CCCN1Cc1cnn[nH]1 1576792766 ZZTSCQZXFIAVBR-KBPBESRZSA-N 317.397 -0.175 30 20 DBED C#CCN(CC#C)C(=O)C(=O)Nc1cnn(CC(=O)O)c1C 1588464676 COESZKDQFCWGSZ-UHFFFAOYSA-N 302.290 -0.690 30 20 DBED C=C(CCC(=O)OC)C(=O)N1C[C@H](C(=O)O)[C@@H](C(=O)OC)C1 1588633899 UFINACGQGGVRAR-UWVGGRQHSA-N 313.306 -0.172 30 20 DBED Cn1c(N2C[C@@H]3CCC[C@]3(C(=O)O)C2)c(C#N)c(=O)n(C)c1=O 1600921160 VJDRMJOHMGUJKA-VFZGTOFNSA-N 318.333 -0.353 30 20 DBED Cn1cc(NC(=O)C(=O)N2CCO[C@H](C#N)C2)cc1C(=O)O 1600959898 WGNKXALRLUXGJE-SECBINFHSA-N 306.278 -0.587 30 20 DBED N#CCC1CCN(C(=O)C(=O)N2C[C@@H](O)C[C@H](C(=O)O)C2)CC1 1601064172 NNQQAPRWWNDZEH-RYUDHWBXSA-N 323.349 -0.567 30 20 DBED N#Cc1cnn2cc(CN3C[C@@H](O)C[C@H](C(=O)O)C3)cnc12 1601131412 ZVHJRLAULSEQJM-JQWIXIFHSA-N 301.306 -0.132 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)C(C)(C)N2CCCC2)C1 1731646745 FUHCUDPVZSWEQH-AWEZNQCLSA-N 320.437 -0.199 30 20 DBED COCCS(=O)(=O)CC(=O)N[C@H]1CCCN(CC#N)C1 1732091211 BGOIMFBHCPXACJ-NSHDSACASA-N 303.384 -0.848 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)c2cnc(C)n2C)C1 1752587950 QMTAUIHRGVGWBW-LBPRGKRZSA-N 305.382 -0.165 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@H](NC(=O)[C@@H]2CCO[C@H](C)C2)C1 1752672155 ABRITFNRAORSMQ-AAVRWANBSA-N 307.394 -0.212 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C[C@H]1CN2C(=O)c1cc[nH]c1C 1753419568 NWYHNWRRLSDDFA-STQMWFEESA-N 300.362 -0.029 30 20 DBED C=CCNC[C@@H]1[C@@H](C)CCCN1C(=O)CN1CCNC(=O)C1 1753809832 RIPGBWJSJOMYHJ-UONOGXRCSA-N 308.426 -0.179 30 20 DBED N#CCSCC(=O)NC[C@H]1CCN1C[C@H](O)Cn1cccn1 1754473764 PTXXHNMLKWTNOG-OLZOCXBDSA-N 323.422 -0.309 30 20 DBED C#CCNC(=O)CN1CC(N(C)C(=O)C2CCN(C)CC2)C1 1754580803 NCUAVUSXZRRVBS-UHFFFAOYSA-N 306.410 -0.780 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)N(C)C1CN([C@H](C)C(=O)NC)C1 1754583347 UVUDFIJPIZPRJP-RISCZKNCSA-N 324.425 -0.266 30 20 DBED C#CCCCCC(=O)NCC1(O)CN([C@H]2CCCNC2=O)C1 1754773747 AROPIPVVEXQESB-ZDUSSCGKSA-N 307.394 -0.379 30 20 DBED CC#CCN[C@@H](C)[C@@H]1CCN(C(=O)c2cn(C)c(=O)nc2O)C1 1754806463 CVOIHKGUYWDVTJ-NWDGAFQWSA-N 318.377 -0.051 30 20 DBED C#CCNC(=O)CN1CC[C@H]2[C@@H]1CCCN2C(=O)c1ncc[nH]1 1754866003 SUADDMTUAVKHAQ-STQMWFEESA-N 315.377 -0.162 30 20 DBED CC1(CC(=O)N2CCC[C@](CO)(NCC(=O)NCC#N)C2)CC1 1755086375 IRELWYZRRKBPRE-INIZCTEOSA-N 322.409 -0.241 30 20 DBED C#CCN[C@@H]1C[C@H](C)N(C(=O)CS(=O)(=O)NC(C)(C)C)C1 1755694924 XFLIMIGGTVPSAS-NWDGAFQWSA-N 315.439 -0.084 30 20 DBED C#CCOCCC(=O)N(C)[C@@H](C)CNC(=O)[C@@H]1CCNC1=O 1756054031 GUJONOMRFNBXQD-NWDGAFQWSA-N 309.366 -0.875 30 20 DBED C#CCOCCC(=O)N[C@@H](C)C1CN(C(=O)[C@H]2CCNC2=O)C1 1756142031 NSIIBKFSXUHKMX-AAEUAGOBSA-N 321.377 -0.875 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CC2(CCN(C(=O)C(N)=O)CC2)CO1 1756241020 TZSQPBOPBJGWIT-QWRGUYRKSA-N 322.365 -0.855 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C[C@@H](C)NC(=O)c1cnc(O)n1C 1756453552 QCAUHWDRFARHIQ-GHMZBOCLSA-N 322.365 -0.259 30 20 DBED C#CCCCCC(=O)N[C@@H](CO)CNC(=O)[C@@H]1CCCN1C 1756516629 BNITZKSMZSLLSN-KGLIPLIRSA-N 309.410 -0.133 30 20 DBED C=CCCC(=O)N(C)C[C@@H](O)CNC(=O)c1cc2n(n1)CCO2 1756656274 RPKDXZCDXFYALP-NSHDSACASA-N 322.365 -0.209 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(C(=O)[C@@H](F)C(C)C)C[C@@H]1O 1757173962 NXSGPOFJDLBTJY-DYEKYZERSA-N 314.357 -0.292 30 20 DBED C#CCOCCC(=O)N1CC[C@@H]2CN(C(=O)c3cnn[nH]3)[C@@H]2C1 1757236265 YKCMVMLQEIAQLI-DGCLKSJQSA-N 317.349 -0.483 30 20 DBED CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CC#N)C3)COC1 1792618598 RFRAFUBTUXISCM-PTEHBNRSSA-N 307.350 -0.474 30 20 DBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc[nH]3)C2)C1 1839809047 OOJXNJFAEWQLNO-MRXNPFEDSA-N 317.345 -0.282 30 20 DBED CN(C)C(=O)C(=O)N1CCCC12CN(C(=O)C(C)(C)C#N)C2 1842835879 UDXPBYUBAKCNNM-UHFFFAOYSA-N 306.366 -0.172 30 20 DBED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)[C@@H]1[C@H]3COC[C@H]31)C2 1846197379 ZLPPFFNUCQUVGQ-YABSGUDNSA-N 318.329 -0.830 30 20 DBED C#CCN1CCC(C(=O)N(CCO)CCN2CCOCC2)CC1 130415106 HKCKPERTSNJOMG-UHFFFAOYSA-N 323.437 -0.515 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C)C2CCOCC2)C1=O 268506342 IYLCYDRJXSRWAI-JTQLQIEISA-N 323.349 -0.106 30 20 DBED CN1CC[C@H](NC(=O)C(=O)N2CCc3ccc(C#N)cc32)C1=O 270257100 YJFVSTBPJVLCMI-LBPRGKRZSA-N 312.329 -0.206 30 20 DBED C=CCN(C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)C1CC1 271419152 PRDFXBBEKFQCRL-UHFFFAOYSA-N 317.349 -0.389 30 20 DBED C=CCNC(=O)CNC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O 271981613 NFQUOLABIHPMNK-GHMZBOCLSA-N 307.350 -0.420 30 20 DBED COCCN(CCC#N)S(=O)(=O)NCCCn1ccnc1 283647641 WRGWPACUIDCMGN-UHFFFAOYSA-N 315.399 -0.030 30 20 DBED N#Cc1cncc(S(=O)(=O)NC[C@H](CO)[C@H]2CCOC2)c1 290129128 LNGUVEIDKPNILS-NWDGAFQWSA-N 311.363 -0.123 30 20 DBED O=C(CC/N=C(/O)N1C[C@H]2COC[C@@H](C1)O2)N1CCOCC1 328729821 HQAPTFABHXBHLQ-TXEJJXNPSA-N 313.354 -0.751 30 20 DBED CNC(=O)Cn1cc(N/C(O)=N/C[C@H](C)N2CCOCC2)cn1 330543318 YVMHKLGEVXBKSZ-NSHDSACASA-N 324.385 -0.324 30 20 DBED Cc1nn(C)c(C)c1CN/C(O)=N/CCNS(C)(=O)=O 330932920 BGIOFLFAUZSKKJ-UHFFFAOYSA-N 303.388 -0.410 30 20 DBED CCN(CCC#N)S(=O)(=O)NC[C@H]1CN(C)CCN1C 337087995 GSCKNIOYQZXUMU-LBPRGKRZSA-N 303.432 -0.698 30 20 DBED C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)[C@H](C)C#N)CC1 347100295 GAASPZGFUDPAFX-OLZOCXBDSA-N 308.382 -0.462 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N[C@@H]1CCOC[C@H]1OCC 355260928 ZJTXTHHXOZWMPR-CHWSQXEVSA-N 314.382 -0.042 30 20 DBED C[C@H](O)CN1CCN(S(=O)(=O)N(C)C[C@H](C)C#N)[C@H](C)C1 407955082 HFCRQIDBKDBWJB-UPJWGTAASA-N 318.443 -0.290 30 20 DBED C[C@H]1CN(C(=O)[C@@H](N)CCCC#N)CCN1S(C)(=O)=O 424177196 ZEVUBZJZSYYLQS-QWRGUYRKSA-N 302.400 -0.500 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1CCC2(CC1)CNC(=O)N2C 425533596 AFXJZFOXWDXPFC-NSHDSACASA-N 323.397 -0.124 30 20 DBED N#CC[C@]1(O)CCN(C(=O)NCCNC(=O)c2cccnc2)C1 591911380 IHFSCGFGZDCMOR-HNNXBMFYSA-N 317.349 -0.129 30 20 DBED N#Cc1ncn(CCNC(=O)N(CCOCCO)C2CCC2)n1 596599068 RXINCNZSCFZEBJ-UHFFFAOYSA-N 322.369 -0.277 30 20 DBED C=C[C@H](O)C(=O)N1CCS(=O)(=O)C[C@H]1c1cnn(CC)c1 597535472 BJUCWJJQNOGZBO-RYUDHWBXSA-N 313.379 -0.252 30 20 DBED COC[C@@](C)(C#N)NC(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1 599675130 OJGDGTZNSUVZIB-QMTHXVAHSA-N 305.338 -0.182 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N1CC(=O)N(CC2CC2)C1 619714505 WIPUBSKEMXXZEG-JTQLQIEISA-N 300.384 -0.166 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2cc(OC)n[nH]2)C1=O 627554320 INGVUOWKNSQOLJ-VIFPVBQESA-N 321.337 -0.398 30 20 DBED C=C[C@@](C)(CCOC)C(=O)N1CCN(S(=O)(=O)NC)CC1 651997267 PTVBARWXNVFZLF-ZDUSSCGKSA-N 319.427 -0.176 30 20 DBED C=CCCn1cc(CN[C@H]2CS(=O)(=O)C[C@@H]2OC)nn1 657603156 IRIUNRQDBSRRJX-RYUDHWBXSA-N 300.384 -0.244 30 20 DBED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)NCCS(C)(=O)=O 788390698 JWQGVPXWWSRDLJ-GHMZBOCLSA-N 318.395 -0.755 30 20 DBED C[C@@H](NC(=O)NCCNc1ncccc1C#N)c1nnnn1C 790247716 UUPFCAOLMMQPGN-SECBINFHSA-N 315.341 -0.051 30 20 DBED COC(=O)[C@@H](C)[C@H](C)S(=O)(=O)NC(=O)CSCC#N 802156890 BPLRTIBSXDJKQH-YUMQZZPRSA-N 308.381 -0.113 30 20 DBED CN([C@@H]1CC(C)(C)OC1=O)S(=O)(=O)N1CCO[C@H](C#N)C1 813766761 AVIFULLBXSCBRN-NXEZZACHSA-N 317.367 -0.519 30 20 DBED C=CCN(CC(=O)OCC)S(=O)(=O)N(C)CCC(=O)O 825681846 IOFNEKIQNCSZFQ-UHFFFAOYSA-N 308.356 -0.311 30 20 DBED N#C[C@@H]1CNC[C@@H]1NC(=O)CN1C(=O)NC2(CCCCC2)C1=O 834505476 LNYAEVLCNWSVOM-MNOVXSKESA-N 319.365 -0.531 30 20 DBED C=CCS(=O)(=O)CCNS(=O)(=O)C[C@@H](COC)OC 882058161 DKYIDRHGJOPFDS-SNVBAGLBSA-N 315.413 -0.832 30 20 DBED CN(C)CC#CCNC(=O)[C@@H]1CNC(=O)C[C@@H]1C(F)(F)F 913525415 WJJJCMJWWUHSEQ-ZJUUUORDSA-N 305.300 -0.018 30 20 DBED C#CC[C@H](CO)NC(=O)NC1CCN(CC(=O)N(C)C)CC1 917816306 OCXBDKVWDHIQRM-CYBMUJFWSA-N 310.398 -0.778 30 20 DBED CC(C)CN1C[C@@H]2CN(C(=O)NCC#CCO)CCN2C1=O 923771880 ZBJWBJLLFOAUSW-ZDUSSCGKSA-N 308.382 -0.231 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1cnc(O)n1C 937545064 DPAOTUQSNNLPDW-GUBZILKMSA-N 303.322 -0.289 30 20 DBED C#Cc1ccccc1CC(=O)N1CC[C@@H](N(C)C(=O)C(N)=O)C1 938981587 GHDCOEHQTUOJOZ-CQSZACIVSA-N 313.357 -0.245 30 20 DBED CO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1NC(=O)Cc1ccn(C)n1 941751195 LOWWOWGPSRKBBQ-RAIGVLPGSA-N 319.365 -0.536 30 20 DBED CC#CCN1CC[C@@H](NC(=O)Cn2ccc(O)nc2=O)[C@H](C)C1 942313040 FECRXACRNDUSHP-CHWSQXEVSA-N 318.377 -0.201 30 20 DBED CCN(C(=O)[C@@H]1CNC(=O)N1)[C@@H]1CCN(C(=O)C#CC2CC2)C1 942950781 RDMYBBDPNPNIFI-OLZOCXBDSA-N 318.377 -0.469 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)CN2CC(=O)NC2=O)[C@@H](C)C1 943673108 AXBBJDAQRYCMAC-RYUDHWBXSA-N 308.382 -0.059 30 20 DBED O=C1CC[C@@H](C(=O)NC[C@H]2CN(C(=O)C#CC3CC3)CCO2)N1 944695879 WSXAROIZVXMPBV-STQMWFEESA-N 319.361 -0.978 30 20 DBED C=CCCN1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)[C@@H](C)C1 945179407 IJPABYAXXYMCHJ-RYUDHWBXSA-N 320.397 -0.220 30 20 DBED C=CCn1cccc1C(=O)N1CCC(NC(=O)C(N)=O)CC1 947128122 HIXWHTQZGJKYDC-UHFFFAOYSA-N 304.350 -0.120 30 20 DBED N#Cc1ccc(C(=O)N2C[C@H]3C[C@H]2[C@H]3NC(=O)c2nc[nH]n2)[nH]1 947756739 WDWSQENPEOLPST-GGVZMXCHSA-N 311.305 -0.353 30 20 DBED C[C@@]1(C(=O)N2CCOC3(CCN(CC#N)CC3)C2)CCNC1=O 949189101 HLTVFTAXGJMBDC-OAHLLOKOSA-N 320.393 -0.270 30 20 DBED CN1CC[C@H](C(=O)N2CCC3(CC2)CN(CC#N)CCO3)C1=O 949441463 VOQABLCFNQTWRZ-ZDUSSCGKSA-N 320.393 -0.318 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]1CNC(=O)C1CCN(C(N)=O)CC1 949889899 QPFJQAQNDBIZNO-ZYHUDNBSSA-N 321.381 -0.346 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2CCN2C(=O)c2cc[nH]n2)nn1 950052125 BXOMNNBHDOSREF-JTQLQIEISA-N 315.337 -0.168 30 20 DBED C[C@H](C#N)C(=O)N1CC(N(C)C(=O)[C@@H]2CCNC(=O)CC2)C1 954852902 PHYQHPXNTOCBMR-MNOVXSKESA-N 306.366 -0.268 30 20 DBED C[C@H]1C[C@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)CC(N)=O 955594522 NLUYBGFYXQTQHI-VHSXEESVSA-N 317.349 -0.129 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2nc(OC)cc(OC)n2)C1 958182503 BMLNDOQZBWHWIB-MNOVXSKESA-N 320.349 -0.851 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2cc3n(n2)CCCO3)C1 958254737 ROSHPXKYRGHYMN-YPMHNXCESA-N 304.350 -0.679 30 20 DBED Cc1nocc1C(=O)N(C)[C@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1O 958941721 HPOMBPALMPCTPT-ZHAHWJHGSA-N 306.322 -0.214 30 20 DBED C#CCN1CC[C@@H]([C@H]2CCCN(C(=O)Cn3ncnn3)C2)C1 961160228 VTWYTAZVJDDXRR-UONOGXRCSA-N 302.382 -0.133 30 20 DBED C=C(Cl)CN1C[C@H]2[C@H](NC(=O)C[C@H]3CC(=O)NC3=O)[C@H]2C1 963104820 XJPYCLQIABJOQU-QISWUMQESA-N 311.769 -0.162 30 20 DBED C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 966167236 MMNFYBLRFSKQBU-RYUDHWBXSA-N 320.397 -0.220 30 20 DBED C#CCN(C)[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(CCOC)C2)C1 971632341 BNBUCJCTBJFYHQ-ZIAGYGMSSA-N 307.394 -0.353 30 20 DBED C#CCN1C[C@H]2CC[C@H]1CN2C(=O)CCn1cnccc1=O 971968169 NXJPLGUVCJRVCX-UONOGXRCSA-N 300.362 -0.058 30 20 DBED C=CCN1CCO[C@@]2(CCN(C(=O)[C@H]3COCCN3C)C2)C1 972348230 ITVANNXLKWEFHW-ZBFHGGJFSA-N 309.410 -0.194 30 20 DBED N#Cc1cc(C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)c[nH]1 973188764 GXBAGIVIJCNOPV-IQIPOGNMSA-N 315.333 -0.615 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)Cc3nc[nH]n3)[C@@H]2C1 975299812 OUVZRLLLKFLVRJ-GMTAPVOTSA-N 302.338 -0.434 30 20 DBED COCc1nn(C)cc1C(=O)NCC1[C@H]2CN(CC#N)C[C@H]12 978401085 BTCMGDNKLCUHAS-VXGBXAGGSA-N 303.366 -0.002 30 20 DBED N#CCN1C[C@@H]2C(CNC(=O)c3cn([C@H]4CCOC4)nn3)[C@H]2C1 978976030 XMRCWOPVYKGGQX-CYZMBNFOSA-N 316.365 -0.329 30 20 DBED C#CCN1CCC(C(=O)N2CC[C@@H](N(C)CC(N)=O)C2)CC1 980477394 GKYICWIAPROALA-CQSZACIVSA-N 306.410 -0.650 30 20 DBED C[C@@H](C#N)C(=O)N1CCCN(CC(=O)N2CCOCC2)CC1 980847594 HDYVIVQRLTXVNQ-ZDUSSCGKSA-N 308.382 -0.461 30 20 DBED CC(=O)N1CCOC[C@@H]1C(=O)N1CCC(N(C)CC#N)CC1 985799988 VOXMLOSXPCPUIN-CQSZACIVSA-N 308.382 -0.320 30 20 DBED C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2cn(CC(=O)N(C)C)nn2)C1 989831179 IHKWPPZIIZHLGE-VXGBXAGGSA-N 318.381 -0.808 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@H](NC(=O)c2cnn[nH]2)[C@@H](O)C1 991604814 TZOIFLQVQFFLSZ-ONGXEEELSA-N 307.354 -0.292 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CN(C(=O)c3cnnn3C)C[C@@]2(C)C1 993344567 NQPMXVGKUFECIN-JRPNMDOOSA-N 316.365 -0.105 30 20 DBED Cc1cnc2nc(C(=O)NC3CN(C(=O)C#CC4CC4)C3)nn2c1 994422211 AKKRBWYFGYFYEA-UHFFFAOYSA-N 324.344 -0.213 30 20 DBED N#CCNC1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)CC1 997096990 NBQUAIKIKKKSPH-UHFFFAOYSA-N 305.338 -0.969 30 20 DBED N#CCN1CCC[C@H]1C1CCN(C(=O)Cn2cnnn2)CC1 1004339964 RNQOMKIFCYPECX-ZDUSSCGKSA-N 303.370 -0.100 30 20 DBED C[C@H]1CCN(C(=O)C(N)=O)C[C@@H]1NC(=O)c1ccc(C#N)[nH]1 1004730516 FAOWOGFSVOAKIO-KWQFWETISA-N 303.322 -0.662 30 20 DBED C[C@@H](NC(=O)[C@H]1CC(=O)N(C)C1)C1CN(C(=O)C#CC2CC2)C1 1006236397 YYBOMAVVPMWJDQ-YPMHNXCESA-N 317.389 -0.159 30 20 DBED N#CCN1CCC[C@H](NC(=O)c2cn([C@H]3CCOC3)nn2)C1 1009127999 DMJGEFOZUNCUNH-RYUDHWBXSA-N 304.354 -0.043 30 20 DBED C#Cc1ccccc1CC(=O)N[C@@H]1CCN(C(=O)C(N)=O)[C@H]1C 1012018273 ZMAOAWRVCKKICO-SMDDNHRTSA-N 313.357 -0.199 30 20 DBED C[C@H](C#N)C(=O)N1CC=C(CNC(=O)c2nnn(C)n2)CC1 1017647211 XHZZULKZDWHGJA-SECBINFHSA-N 303.326 -0.742 30 20 DBED N#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCc2nnnn2CC1 1017974695 DKGCHESTOBVOBP-UPJWGTAASA-N 315.381 -0.176 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(CN(C(=O)C(N)=O)C2)C1 1019356576 VWCZAJPFRQSJTN-MNOVXSKESA-N 307.350 -0.876 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CCN(C(=O)c3cn(C)nn3)[C@@H]2C1 1021537978 LVNLAAKJIKGZAJ-JFGNBEQYSA-N 302.338 -0.352 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn(C)c(O)n2)C1 1025480694 AGWKSQUHWQFBFQ-MWLCHTKSSA-N 322.365 -0.361 30 20 DBED Cc1ccc(=O)n(CC(=O)N2C[C@@H]3CC[C@H](NCC#N)[C@H]3C2)n1 1026402218 IUSBQVBWESHBQY-IHRRRGAJSA-N 315.377 -0.098 30 20 DBED C=CCN1CC[C@H](N2CC[C@@H](CNC(=O)c3cnon3)C2)C1=O 1028883396 OFLRJBNPMHLWBG-AAEUAGOBSA-N 319.365 -0.092 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2CCN1CCNC1=O 1029244635 JZEBVGRSLKPNFZ-RWMBFGLXSA-N 305.382 -0.154 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)C3CC(OC)C3)C2)C1=O 1030490873 OLNGEGDGAIZBDQ-UBHUBRDASA-N 307.394 -0.001 30 20 DBED C=CCN1CC[C@@H](N2CC(CNC(=O)c3ncc[nH]3)C2)C1=O 1031658751 VNOUOMSQJANWLA-GFCCVEGCSA-N 303.366 -0.142 30 20 DBED CC#CCN1CC[C@H](N(C)C(=O)CN2CCC(=O)NC2=O)C1 1033559200 YDNDUTNQZXUIOM-LBPRGKRZSA-N 306.366 -0.516 30 20 DBED C#CCN1CCC(C(=O)N(C)[C@H]2CCN([C@H](C)C(N)=O)C2)CC1 1033683116 DVKBALYGNFEGQP-HIFRSBDPSA-N 320.437 -0.262 30 20 DBED CC#CCN1CCO[C@H](CNC(=O)[C@H]2CCCN(C(N)=O)C2)C1 1035434788 IULBIEHROCHHLZ-UONOGXRCSA-N 322.409 -0.383 30 20 DBED C#CCN[C@H]1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)C[C@H]1C 1036215802 BBRWHNLJDXUXOP-OLZOCXBDSA-N 318.377 -0.614 30 20 DBED C=CCN1CC[C@@H](N2CC[C@H]2CNC(=O)c2cnon2)C1=O 1038850877 WMKSLZBTUOWJKW-CMPLNLGQSA-N 305.338 -0.339 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC[C@](O)(CNC(=O)c2cnn[nH]2)C1 1040268711 KCYSAPBFQYUHFQ-HZMBPMFUSA-N 323.353 -0.911 30 20 DBED N#CCN1CCC[C@@]2(CCN(C(=O)C3CC(=O)NC(=O)C3)C2)C1 1040448055 VRYHOQGYUBEWGZ-MRXNPFEDSA-N 318.377 -0.123 30 20 DBED Cn1ncc(C(=O)N2CC[C@H]3CN(c4cnc(C#N)cn4)C[C@H]32)n1 1040664457 AROYLASQNMZHNQ-GXFFZTMASA-N 324.348 -0.172 30 20 DBED CC#CCCCC(=O)N1CC(O)(CNC(=O)c2cn[nH]c2)C1 1041664182 UEXKOAMFPFGWLX-UHFFFAOYSA-N 304.350 -0.094 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)[C@@H](C)OCC2CC2)C1 1041854620 VJUJRBFAHHECHT-GHMZBOCLSA-N 309.366 -0.349 30 20 DBED C=C(C)CN1CC[C@@H]2CCN(C(=O)CN3CCNC(=O)C3)C[C@H]21 1042182202 DCQUTGFMSFFZHB-HUUCEWRRSA-N 320.437 -0.083 30 20 DBED CN(C(=O)Cn1ncnn1)C1CN(Cc2ccc(C#N)cc2)C1 1042728992 SVYZMRRLQUALER-UHFFFAOYSA-N 311.349 -0.112 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(O)CN(C(=O)c2[nH]cnc2C)C1 1042814279 IJLUQWCIKOMFLT-CQSZACIVSA-N 322.365 -0.652 30 20 DBED Cc1ccnc(C(=O)NCC2(O)CN(C(=O)C#CC(C)C)C2)n1 1042836792 GMFFPIUZTUZWOX-UHFFFAOYSA-N 316.361 -0.252 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)c2cnc(O)n2C)C1 1042942711 AWGJJFNTDCPCRO-UHFFFAOYSA-N 320.349 -0.912 30 20 DBED Cn1cncc1CC(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042958394 MZDZVLXLMHWHES-UHFFFAOYSA-N 316.361 -0.935 30 20 DBED C[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2)C[C@H]1Nc1nccnc1C#N 1043098325 BTOSDPLQZRHJDD-CKYFFXLPSA-N 314.349 -0.114 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)[C@@H]3CCCO3)C2)nc1 1043844203 CHXZQSOVPSRMRT-AGIUHOORSA-N 302.334 -0.202 30 20 DBED Cn1ccc(C(=O)N[C@@H]2CN(c3ccc(C#N)nc3)C[C@@H]2O)n1 1043971343 GOSQIMSLPUDHED-KGLIPLIRSA-N 312.333 -0.334 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)c3ncccn3)C2)nn1 1044130097 UGDQEDCFXNOHOP-MNOVXSKESA-N 311.305 -0.882 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)[C@]2(F)CCOC2)C1 1045137185 CHFSATZKGWIBKA-HNNXBMFYSA-N 312.341 -0.536 30 20 DBED N#CCN1CCC(F)(F)[C@@H](CNC(=O)[C@H]2COC(=O)N2)C1 1046935430 NNFSOJFEZNDDSU-DTWKUNHWSA-N 302.281 -0.308 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cn(C)ccc2=O)C1 1047452982 LCFUHVWDHBXKBM-ZFWWWQNUSA-N 303.362 -0.474 30 20 DBED CN(C(=O)[C@H]1CCc2cnn(C)c2C1)[C@H]1CN(CC#N)C[C@@H]1O 1047500764 HYRWMAXOWGUKKB-CQDKDKBSSA-N 317.393 -0.448 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3nc[nH]c3C2)C1 1047589438 INBCTBKWQREMCE-UGFHNGPFSA-N 302.378 -0.349 30 20 DBED C=CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCCN2C(N)=O)C1 1047592519 TXPJEQXEAHIJOL-IHRRRGAJSA-N 324.425 -0.001 30 20 DBED CSCC(=O)N(C)[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1O 1048165882 FMAPMMSZSHJQBX-RYUDHWBXSA-N 322.390 -0.107 30 20 DBED C=CCOCC(=O)N(C)[C@H]1CN(C(=O)COC(C)C)C[C@@H]1O 1048555052 OFJVJOBDZQHQNX-STQMWFEESA-N 314.382 -0.356 30 20 DBED C#CCCCCC(=O)N(C)[C@H]1CN(C(=O)CC(=O)NC)C[C@@H]1O 1048704896 MDHXXBPKMWNMFN-STQMWFEESA-N 323.393 -0.654 30 20 DBED C#Cc1ccc(C(=O)N2C[C@@H]3CN([C@@H]4CCNC4=O)C[C@@H]3C2)cn1 1049177908 URVJQPQJYARQNS-IJEWVQPXSA-N 324.384 -0.045 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCN(C)C)C1 1049434903 GNWPAPZQZSPGLQ-KBPBESRZSA-N 309.410 -0.228 30 20 DBED C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)Cn1ncn(C)c1=O 1049562764 XZMISYZAOVNCHE-OLZOCXBDSA-N 305.382 -0.167 30 20 DBED CC[C@@H](C(=O)N(C)[C@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1O)N(C)C 1049570921 NLQUQXNOMVFFDD-VOAKCMCISA-N 310.398 -0.484 30 20 DBED CC#CCN1CCOC[C@@H]1CNC(=O)c1ccc2nnnn2c1 1051023655 VMEPIJUYLUBVPY-ZDUSSCGKSA-N 314.349 -0.422 30 20 DBED C=CCCN1CCOC[C@H]1CNC(=O)c1cn(C)c(=O)cn1 1051036029 ZLORGBNIVMLWPV-GFCCVEGCSA-N 306.366 -0.213 30 20 DBED C#CCOCCC(=O)N[C@@H](C)[C@H]1CCN(C(=O)c2nc[nH]n2)C1 1051337298 ISJKDKLABYPIRJ-RYUDHWBXSA-N 319.365 -0.189 30 20 DBED N#CCN1CCN([C@H]2CCN(C(=O)CCn3ccnn3)C2)CC1 1052018837 RFBZSYSWAKRKLG-AWEZNQCLSA-N 317.397 -0.590 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)[C@@H]1C[C@H]1C(=O)OC)CCO2 1053186417 YXLORQUPLXCBDS-CHWSQXEVSA-N 306.362 -0.268 30 20 DBED C=CCN1CC2(C[C@@H](NC(=O)C3CC(=O)NC(=O)C3)CO2)C1 1053955217 FHPJNIPYVWHAFD-LLVKDONJSA-N 307.350 -0.815 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)[C@@H]3CCC(=O)N(C)C3)CO2)C1 1054017563 FFOCHLCNZDJXQY-OLZOCXBDSA-N 305.378 -0.553 30 20 DBED C=CCCC(=O)N1C[C@H]2CN(C(=O)[C@@H]3CNC(=O)N3)C[C@H]2C1 1055235527 ZKEVEKMGUJXJNY-TUAOUCFPSA-N 306.366 -0.449 30 20 DBED CCNC(=O)CC(=O)N[C@]1(CO)CCCN(C(=O)[C@H](C)C#N)C1 1055896648 LCCIOGOANUJQTL-IAQYHMDHSA-N 324.381 -0.858 30 20 DBED Cn1ccc(C(=O)NC2[C@@H]3CN(c4cncc(C#N)n4)C[C@@H]23)n1 1056226146 SCNIKKXJQNJJOW-GHMZBOCLSA-N 309.333 -0.054 30 20 DBED CC(C)(C)C#CC(=O)N1C[C@@H]2CCCN(C(=O)C(N)=O)[C@@H]2C1 1056711239 LBEDSJGPWVHTRQ-NWDGAFQWSA-N 305.378 -0.029 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)c1n[nH]c(C)c1O 1057353796 FZBCELDWQGYRBL-UHFFFAOYSA-N 310.354 -0.059 30 20 DBED Cn1nnc(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)n1 1057927933 XLVFZDZXKRXUGH-UHFFFAOYSA-N 312.337 -0.124 30 20 DBED CCc1nc[nH]c1C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N 1058362353 VJTGDFYVNFXERA-JTQLQIEISA-N 307.354 -0.318 30 20 DBED COc1ccc(C(=O)N(CCO)CCNC(=O)[C@H](C)C#N)o1 1058535618 JCNSXZJNKRGODC-SNVBAGLBSA-N 309.322 -0.001 30 20 DBED C=C[C@](C)(CC)C(=O)N(CCO)CCNC(=O)c1cnn(C)n1 1058728258 NUFYQQYMIWJDMV-OAHLLOKOSA-N 323.397 -0.032 30 20 DBED C=CCCCC(=O)NCCN(CCO)C(=O)[C@@H](COC)OC 1058758191 IPFVAGIMRGUSKU-CYBMUJFWSA-N 316.398 -0.059 30 20 DBED N#Cc1cnc(N[C@H]2C[C@H](NC(=O)[C@H]3CNC(=O)N3)C2)c(F)c1 1059392040 QAWYHNQAXRIXKG-FXPVBKGRSA-N 318.312 -0.167 30 20 DBED CC(C)C#CC(=O)N1CCOC[C@H]1CNC(=O)Cn1cccn1 1061286166 ROVRASSIPAWUHA-CQSZACIVSA-N 318.377 -0.114 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)CCn1ccnn1 1061848882 WFRNQAOSPJZDMN-VXGBXAGGSA-N 320.353 -0.829 30 20 DBED N#Cc1cnccc1N1C[C@@H]2C[C@H]1CN2C(=O)Cn1ncnn1 1062531468 HQAUWQYTZDZPDP-RYUDHWBXSA-N 310.321 -0.571 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2cnccn2)CCO1 1064789109 FAUHZDSYNKQWQF-GFCCVEGCSA-N 320.349 -0.364 30 20 DBED C=CCO[C@H](C)C(=O)N1CCO[C@@H](CNC(=O)c2ncc[nH]2)C1 1065278268 HRJDIQCUHVRJFJ-NEPJUHHUSA-N 322.365 -0.042 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)Cn2ccnc2)CCO1 1065306004 YJVFLJQBSKKASW-ZDUSSCGKSA-N 322.365 -0.571 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@H](CNC(=O)Cc2ccn(C)n2)C1 1065555929 BMZMHVUFDMDXEC-WCQYABFASA-N 319.365 -0.534 30 20 DBED CN(C(=O)c1cn[nH]c1)[C@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1065567012 HBLUJYZJMROFLM-RYUDHWBXSA-N 313.321 -0.607 30 20 DBED N#Cc1ccc(N2CCOC[C@@H]2CNC(=O)c2nc[nH]n2)nn1 1066494290 FVYCVNGWVKRHEW-JTQLQIEISA-N 314.309 -0.898 30 20 DBED N#Cc1cnc(N2C[C@H](CNC(=O)c3cccnc3)[C@@H](O)C2)cn1 1067642247 AEGXAPJCSVKVBP-JSGCOSHPSA-N 324.344 -0.030 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCCN(C)C(=O)c1cn(C)c(=O)n1C 1067680880 NDISFNGKLLXYEK-NSHDSACASA-N 321.381 -0.196 30 20 DBED C=CC(C)(C)CC(=O)N1CC2(C[C@H](NC(=O)C(N)=O)CO2)C1 1068992621 MFKILGMPZMCREO-JTQLQIEISA-N 309.366 -0.440 30 20 DBED CC#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2cnccn2)C1 1069892451 YMCZKUUKENQYKT-KGLIPLIRSA-N 311.349 -0.253 30 20 DBED C#CCN[C@@H]1CN(C(=O)Cc2nnc(C)o2)C[C@@H]1n1ccnn1 1070188703 KYOHKDMVAXYQIP-NEPJUHHUSA-N 315.337 -0.813 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CCCN(C(=O)CN2CCCC2=O)C1 1070412004 HROAPGIMUIRISA-NWDGAFQWSA-N 306.366 -0.124 30 20 DBED Cn1cnc([C@@H]2CN(C(=O)c3ccncn3)C[C@H]2NCC#N)c1 1070547894 PMIDFAOGSJXKCZ-SMDDNHRTSA-N 311.349 -0.069 30 20 DBED C=CCOCC(=O)N1CCC[C@@H](NC(=O)CCn2cnnn2)C1 1070552051 AVJXJZKEZVMKLG-GFCCVEGCSA-N 322.369 -0.627 30 20 DBED C=CCN1CCCO[C@@H](CNC(=O)C2CS(=O)(=O)C2)C1 1073620412 DJOLCKFIOHJAAL-LBPRGKRZSA-N 302.396 -0.576 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCN(C(=O)COCC)C[C@H]1C 1073890420 IMXMCLSUVUDVOC-CHWSQXEVSA-N 323.393 -0.484 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)c3ccc(O)nn3)C[C@@H]21 1074159719 JLEVXQJHHUQYHY-QWHCGFSZSA-N 302.334 -0.269 30 20 DBED C=C(C)CN1CCO[C@H]2CCN(C(=O)c3nnn(C)n3)C[C@@H]21 1074317580 SAKVHBPUBKJZPH-RYUDHWBXSA-N 306.370 -0.299 30 20 DBED C#CCOCCC(=O)N1CCC(O)(CNC(=O)C2CC2)CC1 1074588140 BKNXBNLRYXNBNT-UHFFFAOYSA-N 308.378 -0.094 30 20 DBED C=CCOCCCC(=O)N[C@H]1CCN(C(=O)C(N)=O)[C@@H](C)C1 1074920292 XQXAQGFSZPLKMA-RYUDHWBXSA-N 311.382 -0.050 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]2CN(CC(=O)N3CCOCC3)C[C@H]21 1075621410 ZPYRBSMZDJSJRV-MELADBBJSA-N 320.393 -0.462 30 20 DBED C[C@@H](CCNC(=O)c1cc(C(N)=O)cn1C)NC(=O)[C@H](C)C#N 1077583388 TXYMOMCRMVHRNM-ZJUUUORDSA-N 319.365 -0.092 30 20 DBED CCC[C@@H](NC(N)=O)C(=O)N[C@@H](C)CCNC(=O)[C@@H](C)C#N 1078132525 WZJFLSLKXLEVDS-GARJFASQSA-N 311.386 -0.006 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)c2ccccc2-n2cnnn2)C1 1078163663 ZQDTTXDXGKSLIQ-TZMCWYRMSA-N 314.349 -0.377 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)[C@H](C)N2CCOCC2)C1 1078290677 PUXGSWGIOCRBAO-RRFJBIMHSA-N 311.426 -0.165 30 20 DBED CN(C(=O)CNC(N)=O)[C@@H]1CCCN(C(=O)C#CC2CC2)CC1 1078815091 KCLRYDZURCMSMH-CYBMUJFWSA-N 320.393 -0.092 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)[C@@H]2COC(=O)N2)C1 1079701747 MMXQOFXPGMDBHZ-JQWIXIFHSA-N 323.349 -0.808 30 20 DBED CCN(C(=O)CCNC(=O)NC)C1CN(C(=O)[C@H](C)C#N)C1 1079717831 DXKPILHNPMPCDP-SNVBAGLBSA-N 309.370 -0.476 30 20 DBED C#CCN1C[C@@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)[C@H](C)C1 1080890380 ITIOXSBCFMWWRA-GHMZBOCLSA-N 306.366 -0.614 30 20 DBED C=CCCC(=O)N1CCC(CO)(NC(=O)[C@@H]2CCNC2=O)CC1 1080932072 AFAGJDMKNIOOET-GFCCVEGCSA-N 323.393 -0.442 30 20 DBED COCC(=O)NC[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1O 1081177224 BPZVDOFRGKXNKI-BXKDBHETSA-N 306.322 -0.918 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cccn2C)C1 1081260529 YYIRTGCIQNOYPY-GXTWGEPZSA-N 321.377 -0.223 30 20 DBED CC(C)(O)CC(=O)NC[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1081448159 WWKZCVMUXHLRMF-QWHCGFSZSA-N 308.378 -0.504 30 20 DBED C=CCC1(C(=O)N2C[C@H](CNC(=O)C(N)=O)[C@@H](O)C2)CCCC1 1081718897 JSLRTKQTDQHJJX-RYUDHWBXSA-N 323.393 -0.456 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1c(C)c(C)nn(C)c1=O 1082009778 VARKPGVSWXJYQT-VXGBXAGGSA-N 319.365 -0.650 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C[C@H]1C 1082739308 LUUZXZSHDAXCMC-YIYPIFLZSA-N 307.394 -0.308 30 20 DBED Cc1nc(CN2C[C@H]3[C@@H](C2)OCCN3C(=O)[C@@H](C)C#N)n[nH]1 1083026844 PHNCRZRZRUYLBM-ZMLRMANQSA-N 304.354 -0.316 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H]2CN(CC(=O)NC3CC3)C[C@@H]21 1083026879 QQEFRKXEZNPWLY-WCFLWFBJSA-N 306.366 -0.664 30 20 DBED C=CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cnc(O)n(C)c1=O 1083160634 LSLCGKBHBSPONK-NWDGAFQWSA-N 320.349 -0.803 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCn3cc(C)nc3C2)C1 1083568521 CBEULUWOXFZCDL-ZNMIVQPWSA-N 316.405 -0.061 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)Cn2c(C)cc(C)nc2=O)C1 1083894580 MHRDUDNFZYYMDB-KGLIPLIRSA-N 320.393 -0.402 30 20 DBED C=CCN[C@H]1C[C@@H](CNC(=O)c2cc(=O)n3[nH]cnc3n2)C1 1086252928 HDSPCIDRDWYRQD-AOOOYVTPSA-N 302.338 -0.298 30 20 DBED C#CCN1CC[C@H](NC(=O)Cc2cn3c(n2)CCCC3)[C@H](O)C1 1090279509 MDYBLVODVJPEFF-LSDHHAIUSA-N 316.405 -0.054 30 20 DBED CO[C@@H](C)C(=O)N[C@@H]1CN(c2ncc(C#N)cc2F)C[C@H]1O 1090377850 NPYHWHKWEMLYRP-XXILOJSOSA-N 308.313 -0.207 30 20 DBED CC(=O)N[C@H](C)C(=O)N1C[C@@H](N=c2cc[nH]c(C#N)n2)[C@H](C)C1 1090953680 HAIALPFGLXZWQR-CKYFFXLPSA-N 316.365 -0.446 30 20 DBED N#CCNC1CC(CNC(=O)[C@@H]2CCc3nnnn3CC2)C1 1091243308 BMRHJEMSYSYBLP-MOENNCHZSA-N 303.370 -0.366 30 20 DBED C#CCCN1C[C@@H]2CN(C(=O)Cn3cnnc3O)C[C@]2(C)C1 1091613542 CWJRKZAPQYCDBD-DOMZBBRYSA-N 303.366 -0.213 30 20 DBED COC(=O)NCC(=O)N[C@H]1CCN(c2ccc(C#N)nn2)[C@@H]1C 1091942158 OSGFSRRHWJOKEV-KOLCDFICSA-N 318.337 -0.212 30 20 DBED N#Cc1nc(=NCCNC(=O)c2cnn3cccnc23)cc[nH]1 1094029770 ZYVBTPJQMZSPIY-UHFFFAOYSA-N 308.305 -0.345 30 20 DBED N#Cc1nccnc1NCCNC(=O)[C@@H]1CCCCC(=O)N1 1094113605 XAUGWRYCHAWUTI-JTQLQIEISA-N 302.338 -0.065 30 20 DBED C=CCN1CC(n2cc(CNC(=O)c3cnnn3C)nn2)C1 1094288868 XLTDRQXUJMQZPS-UHFFFAOYSA-N 302.342 -0.621 30 20 DBED C#CCO[C@@H](C)C(=O)NCCCNc1ncnc2c1nnn2C 1094594626 LMLCZVOHHGRTMQ-JTQLQIEISA-N 317.353 -0.285 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)c3cccc(O)n3)CC2=O)C1 1094723416 JEUNPKMFVNBBGL-NSHDSACASA-N 316.361 -0.012 30 20 DBED CC#CCN1CC(N2C[C@H](NC(=O)c3cncnc3)CC2=O)C1 1094731195 LSEPFCRVBFZTJW-CYBMUJFWSA-N 313.361 -0.485 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)c3c[nH]nc3C)CC2=O)C1 1094768133 PPCIXVOLXOYONH-LLVKDONJSA-N 303.366 -0.081 30 20 DBED CN(CCCNC(=O)c1c[nH]c(=O)cn1)c1ccnc(C#N)n1 1095715110 GOAZPUWSRMWFTE-UHFFFAOYSA-N 313.321 -0.312 30 20 DBED CCN(CCCNC(=O)Cn1ncnn1)c1ccncc1C#N 1095925290 OHDCJAHSEUKRFN-UHFFFAOYSA-N 314.353 -0.027 30 20 DBED CCNC(=O)CC(=O)N[C@H]1CCN(c2cncc(C#N)n2)C1 1096359622 FDKKGZVPVUSTIS-JTQLQIEISA-N 302.338 -0.431 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@H]1C[C@@H](Nc2nccn3nnnc23)C1 1097176377 YDGPFUVMEFITBV-RBZYPMLTSA-N 317.353 -0.095 30 20 DBED COCCNCc1cn([C@@H]2CCN(C(=O)[C@H](C)C#N)C2)nn1 1098634331 QMTXKZFHDBQATH-DGCLKSJQSA-N 306.370 -0.053 30 20 DBED C=CCNCc1cn([C@H]2CCN(C(=O)c3ncn(C)n3)C2)nn1 1098666750 GBLRTMGWSBVPCP-LBPRGKRZSA-N 316.369 -0.231 30 20 DBED C[C@H](CCNC(=O)c1cnn(C)c1N)N=c1cc[nH]c(C#N)n1 1099105179 STNJWIBOITXPML-SECBINFHSA-N 314.353 -0.294 30 20 DBED Cn1ccnc1COCC(=O)N[C@@H]1CCN(CC#N)C[C@H]1O 1099888777 ZGNHTTIRZLSBBH-VXGBXAGGSA-N 307.354 -0.988 30 20 DBED N#CCN1CC[C@@H](NC(=O)COCc2ccnc(O)c2)[C@@H](O)C1 1099892019 GUSQUFZALKTQSW-OLZOCXBDSA-N 320.349 -0.621 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)c2ncccn2)[C@H](O)C1 1100040887 BHDCRVKFSVSPTP-QWHCGFSZSA-N 306.366 -0.156 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2ccc(O)nc2)[C@H](O)C1 1100094928 UVKHBSUSMIGSCI-ZIAGYGMSSA-N 319.361 -0.398 30 20 DBED CN(CCNC(=O)[C@H]1CCNC(=O)CC1)c1ccnc(C#N)n1 1100237571 OZTLVHDSNXGUJS-LLVKDONJSA-N 316.365 -0.183 30 20 DBED CN1CC[C@@H](C(=O)NCCN(C)c2ccc(C#N)nn2)C1=O 1100273130 GOASLYNYYAEULO-NSHDSACASA-N 302.338 -0.621 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CC(CNC(=O)c2ncn(C)n2)C1 1100299269 UDVYAASQUGHKRX-VOMCLLRMSA-N 318.381 -0.949 30 20 DBED COCCOC[C@H](O)CNC1CC(CNC(=O)C#CC2CC2)C1 1100315236 ZFYGBVLHIVSWFW-UYSNPLJNSA-N 324.421 -0.092 30 20 DBED CCC(=O)NCC(=O)NCCN(CC)c1ccnc(C#N)n1 1100468979 AMRBDPWLOAVCJX-UHFFFAOYSA-N 304.354 -0.183 30 20 DBED N#Cc1cnccc1N1CC[C@H](CNC(=O)Cn2cnnn2)C1 1100928098 WWNWHKVKYGJVLC-LLVKDONJSA-N 312.337 -0.418 30 20 DBED CN(C)C(=O)CC(=O)NCCN(c1nccnc1C#N)C1CC1 1101457118 FRQLMOQLNIEYCH-UHFFFAOYSA-N 316.365 -0.088 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)C2=COCCO2)C1 1101691218 LINTUHBWETWLMV-CHWSQXEVSA-N 321.377 -0.692 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN([C@@H]2CCNC2=O)C[C@H]1C 1101962003 QFIKEDSMZAFUOA-MGPQQGTHSA-N 307.394 -0.401 30 20 DBED C[C@H](NC(N)=O)C(=O)N(C)[C@@H](C)CNc1cnc(C#N)cn1 1104535108 KYJLKVQHJYMBBM-IUCAKERBSA-N 305.342 -0.336 30 20 DBED CN(CCN(C)c1cnc(C#N)cn1)C(=O)CCn1cncn1 1105329273 YOTQTDKJHKJLOM-UHFFFAOYSA-N 314.353 -0.075 30 20 DBED COCCO[C@@H](C)C(=O)NC[C@H](O)CNc1ccc(C#N)cn1 1105962150 CEOYMMYNJTZNRC-WCQYABFASA-N 322.365 -0.106 30 20 DBED C#CCNC[C@@H]1CN(C(=O)CN(C)S(C)(=O)=O)C[C@H]1C 1106204550 ZJSIWYZTFWDMBM-VXGBXAGGSA-N 301.412 -0.805 30 20 DBED C[C@@H](CCNc1cnc(C#N)cn1)NC(=O)CCNC(N)=O 1106328327 JZHRKHBKSKJFIF-VIFPVBQESA-N 305.342 -0.287 30 20 DBED C#CCNC(=O)CC(=O)NC/C=C/CNc1ccc(C#N)nn1 1107130649 SIMHGGSVOCPPJK-ONEGZZNKSA-N 312.333 -0.428 30 20 DBED Cc1nc[nH]c1CC(=O)NCc1cn(C2CN(CC#N)C2)nn1 1107234195 WBBINUSNKNLVKV-UHFFFAOYSA-N 314.353 -0.451 30 20 DBED N#Cc1ccc(NC/C=C/CNC(=O)C(=O)NCC2CC2)nn1 1107310490 ZFYPGAJUTHMHAP-OWOJBTEDSA-N 314.349 -0.041 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)C[C@H]2CCC(=O)NC2)C1 1107993914 GFZTYOLMAFJPLG-CZUORRHYSA-N 307.394 -0.257 30 20 DBED C#CCCN1CCO[C@@](C)(CNC(=O)[C@]2(C)CNC(=O)C2)C1 1108093337 TZUKKSLCUWYNEN-HOTGVXAUSA-N 307.394 -0.257 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)[C@@]1(C)CCNC1=O 1108105360 CDRJTUOKIIUJKX-OTYXRUKQSA-N 302.338 -0.787 30 20 DBED C[C@H](CNc1cncc(C#N)n1)NC(=O)[C@H]1CC(=O)N(C)C1 1108178430 UYWQUYUPILNFKR-ZJUUUORDSA-N 302.338 -0.257 30 20 DBED C#CCN1CCN(C(=O)C[C@H](C)OC)[C@@H]2CS(=O)(=O)C[C@@H]21 1108463686 RWCJZDDRHAIQJM-RWMBFGLXSA-N 314.407 -0.646 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)C[C@](C)(O)C3CC3)CC2=O)C1 1108536993 LEQPWKYEARSLPJ-DYVFJYSZSA-N 319.405 -0.428 30 20 DBED N#CCN1CC(N2C[C@@H](NC(=O)CCc3cnc[nH]3)CC2=O)C1 1108549822 QEOCFQOWZMYTLF-LBPRGKRZSA-N 316.365 -0.733 30 20 DBED N#CCSCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCOCCO 1108951874 IQLRJYAZZRKKOP-AGIUHOORSA-N 313.423 -0.026 30 20 DBED C[C@H](CN(C)c1ccncc1C#N)NC(=O)[C@H]1CN(C)C(=O)N1 1109194788 WFLKMXGLLWDQID-ZYHUDNBSSA-N 316.365 -0.082 30 20 DBED CN(CCCNc1cncc(C#N)n1)C(=O)[C@@H]1COCCN1C 1109410279 VHSBYCFGSLMUIC-ZDUSSCGKSA-N 318.381 -0.061 30 20 DBED CN(CCCN=c1cc[nH]c(C#N)n1)C(=O)C[C@H]1CCNC1=O 1109540246 NGTQJGSZTPXWAH-LLVKDONJSA-N 316.365 -0.443 30 20 DBED N#Cc1cnc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)CCn2cncn2)cn1 1109680993 GRYLZJHHXJQYCG-GMXABZIVSA-N 324.348 -0.277 30 20 DBED CNC(=O)NCC(=O)N[C@H]1[C@H]2C[C@H]1N(c1ccncc1C#N)C2 1109743099 JJFIDEXIHUHFQJ-BHYNMZESSA-N 314.349 -0.424 30 20 DBED N#Cc1nccc(NC2(CNC(=O)[C@@H]3CC[C@H]3C(N)=O)CC2)n1 1110299960 LJZQXFKFPGTLHS-NXEZZACHSA-N 314.349 -0.080 30 20 DBED COC[C@H](C)C(=O)NC[C@]1(O)CCN(c2nccnc2C#N)C1 1111044121 SKDWBZHKNBHSPJ-XHDPSFHLSA-N 319.365 -0.312 30 20 DBED C=CCOCC(=O)N(C)[C@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1111175476 HEBIMGCKULFWNR-RYUDHWBXSA-N 317.349 -0.441 30 20 DBED CO[C@H](C)C(=O)N[C@@]1(CO)CCCN(c2nccnc2C#N)C1 1111336068 HEJFUBZCKKLXJG-ABAIWWIYSA-N 319.365 -0.169 30 20 DBED CO[C@H](C)C(=O)N[C@@]1(CO)CCCN(c2cnc(C#N)cn2)C1 1111336466 QKWDGFOBLYDBPL-ABAIWWIYSA-N 319.365 -0.169 30 20 DBED N#Cc1ccc(NCCN(CCO)C(=O)c2cnon2)nc1 1111494872 NCVXEDSVUSRNKN-UHFFFAOYSA-N 302.294 -0.117 30 20 DBED COc1ccnc(N2CCOC[C@@H]2CNC(=O)[C@H](C)C#N)n1 1111661891 YIFAKCNJVIINAZ-MNOVXSKESA-N 305.338 -0.034 30 20 DBED COCC(=O)NC[C@H]1CN(c2ncc(C#N)cc2F)C[C@@H]1O 1112692750 RKODBJDMPCRPCR-JQWIXIFHSA-N 308.313 -0.348 30 20 DBED C[C@H](NC(=O)Cn1ncnn1)[C@H](C)Nc1ccc(C#N)nn1 1113193903 MWMCFCYMQIUCQE-IUCAKERBSA-N 301.314 -0.660 30 20 DBED COC(=O)NCC(=O)NC[C@H](C)N(C)c1ccnc(C#N)n1 1113513005 VSLGVZMWIVARIV-VIFPVBQESA-N 306.326 -0.355 30 20 DBED C[C@H](CNC(=O)[C@@H]1CCCNC1=O)N(C)c1ccnc(C#N)n1 1113744486 OXNMZONEVPMLGO-GHMZBOCLSA-N 316.365 -0.185 30 20 DBED C=CCN1CC[C@H](N2C[C@H]3[C@H](NC(=O)COCC)[C@H]3C2)C1=O 1113823524 XHAGVSMTMGTPCX-SFDCQRBFSA-N 307.394 -0.144 30 20 DBED CCN(CCC#N)C(=O)CN1C[C@H]2C(NC(=O)[C@H](C)OC)[C@@H]2C1 1113952609 HEGWXQNTGPVSBP-YNEHKIRRSA-N 322.409 -0.170 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3cncc(F)c3)[C@H]2C1 1114125736 OENOOBRAFGIOLZ-NHAGDIPZSA-N 316.336 -0.370 30 20 DBED C#CCCCC(=O)N[C@H]1[C@@H]2CN(CC(=O)NC(=O)NCC)C[C@@H]21 1114198962 LRLITJXFBGGKAL-JYAVWHMHSA-N 320.393 -0.318 30 20 DBED CCc1n[nH]cc1C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1114501547 DOMCQZMXQDMKKX-YABSGUDNSA-N 316.365 -0.728 30 20 DBED CNC(=O)CC(=O)NCC1[C@@H]2CN(c3ccncc3C#N)C[C@@H]12 1114531034 VJSPYDFCEJSAIE-STQMWFEESA-N 313.361 -0.112 30 20 DBED CC#CCN1C[C@H]2C(NC(=O)[C@H](CCC)S(N)(=O)=O)[C@@H]2C1 1114621951 UKDPNSWTJZPKIH-UTUOFQBUSA-N 313.423 -0.487 30 20 DBED Cc1coc(C(=O)NC2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]23)c1 1114711086 OYNGYHQNGIIYIN-GHMZBOCLSA-N 302.334 -0.112 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)CCN(C)C)[C@H]2C1 1114780400 IHWJECZCRXVBMP-CXTNEJHOSA-N 306.410 -0.878 30 20 DBED C=CCOCCNC(=O)C(=O)N1CC[S@](=O)[C@@H](C)[C@H]1C 1118442632 AEAPRFSRWHEXJX-NLQQUQSOSA-N 302.396 -0.327 30 20 DBED CN1CCN(C)[C@@H](CNC(=O)C(=O)N2CCC[C@@H](C#N)C2)C1 1119692947 RSYGTIONMNMJBV-STQMWFEESA-N 307.398 -0.889 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C[C@H](C)Nc1ccc2nnnn2n1 1120094052 UYWYJVDUXLTLRO-QWRGUYRKSA-N 317.353 -0.184 30 20 DBED CCn1ccnc1C(=O)NC[C@H](CO)Nc1ccc(C#N)nn1 1121412771 UVCXDNOWSQCGNJ-LLVKDONJSA-N 315.337 -0.233 30 20 DBED Cn1ccc(CC(=O)NC[C@@H](CO)Nc2ccc(C#N)nn2)n1 1121480545 LBEQHGAPXFRETD-LBPRGKRZSA-N 315.337 -0.787 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)CCCCC(N)=O)nc1 1122045987 ZZZZKKCGVJXTPK-GFCCVEGCSA-N 319.365 -0.112 30 20 DBED COCC(C)(C)C(=O)NC[C@H](CO)Nc1cnc(C#N)cn1 1122230390 ZHOMWCIVGBBIOY-LLVKDONJSA-N 307.354 -0.090 30 20 DBED CO[C@H](C(=O)NC[C@H](CO)N=c1cc[nH]cc1C#N)C(C)C 1122445500 QHSOHMJDBSEMGW-OCCSQVGLSA-N 306.366 -0.065 30 20 DBED CN1CCCC[C@@H]1C(=O)NC[C@@H](CO)Nc1nccnc1C#N 1122861336 QXUBMQCDSANIOJ-WCQYABFASA-N 318.381 -0.278 30 20 DBED CN(C[C@H](O)CNc1nccnc1C#N)C(=O)c1cnn(C)c1 1124030923 VXUIYLKMFOAPCB-LLVKDONJSA-N 315.337 -0.373 30 20 DBED CN(C[C@@H](O)CNc1ccc(C#N)nn1)C(=O)Cc1cc[nH]n1 1124184429 HOWDCZZPPYMIQN-LBPRGKRZSA-N 315.337 -0.455 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)c1cncs1 1124239195 YSMWXICOFXTDFC-UHFFFAOYSA-N 311.367 -0.526 30 20 DBED C[C@@H]1CCO[C@@H]1C(=O)N(C)C[C@@H](O)CN=c1cc[nH]c(C#N)n1 1124760869 LSVAKZUCROVYCW-SUNKGSAMSA-N 319.365 -0.574 30 20 DBED CN(C)C(=O)CC(=O)N(C)C[C@@H](O)CN=c1cc[nH]cc1C#N 1124797535 DLWJFWOPWIDGPC-LBPRGKRZSA-N 319.365 -0.915 30 20 DBED CN(C[C@@H](O)CN(C)c1cncc(C#N)n1)C(=O)[C@H]1CCCO1 1124938623 BDHCMAHDWQLRPR-QWHCGFSZSA-N 319.365 -0.217 30 20 DBED CN(C[C@H](O)CN(C)c1ccc(C#N)nn1)C(=O)c1cn[nH]c1 1125030379 XAUYMUITIBHLNH-GFCCVEGCSA-N 315.337 -0.359 30 20 DBED C#CCO[C@@H](C)C(=O)NCCNCCn1c(C)csc1=O 1127052040 PXOONJKYQZRLTP-LBPRGKRZSA-N 311.407 -0.038 30 20 DBED C=CCCN[C@@H]1CN(C(=O)[C@@H]2CCNC2=O)C[C@@H]1n1ccnn1 1129954578 UYLKRDWRZBFUGT-UPJWGTAASA-N 318.381 -0.668 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)C[C@H](C)NCC(=O)NCC 1134130984 OYDOMUMBSXMWAA-RYUDHWBXSA-N 310.398 -0.865 30 20 DBED C#CCOCCC(=O)N[C@@H](C)C[C@H](C)NCCN1CCNC1=O 1134351636 IQUMLFKASUBXHS-KBPBESRZSA-N 324.425 -0.076 30 20 DBED C[C@H](C[C@@H](C)NC(=O)c1cncn1C)NCC(=O)NCC#N 1134884877 NZEIKHAFGNRTCT-GHMZBOCLSA-N 306.370 -0.454 30 20 DBED C#CCCN[C@@H](C)C[C@@H](C)NC(=O)CN1CCC(=O)NC1=O 1135893439 LXYCTHYZRCCEBM-NWDGAFQWSA-N 308.382 -0.176 30 20 DBED C#CCN[C@@H](C)C[C@H](C)NC(=O)c1cc(=O)n2[nH]cnc2n1 1135923490 LDDPOOXQCQTRQG-UWVGGRQHSA-N 302.338 -0.463 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC2(CCN(CC(=O)NCC#N)C2)C1 1147441095 PRMQKJLUTBKPIY-OAHLLOKOSA-N 320.393 -0.512 30 20 DBED C=CCN1CCCO[C@@H](CNC(=O)[C@@H](C)S(C)(=O)=O)C1 1149904059 QGDDLCWFHSANNF-NEPJUHHUSA-N 304.412 -0.187 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)CNC(=O)[C@@H](C)CC)C1 1150732066 XVWOVUZZIQTWEV-UONOGXRCSA-N 309.410 -0.011 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)CCN2CCCC2=O)C1=O 1151354037 JLMNDGFYVPFIOP-ZDUSSCGKSA-N 322.409 -0.508 30 20 DBED C#CCN(CC)[C@H](C)CNC(=O)CN(C)CC(=O)NC(C)C 1154167561 KTMJBEANLVSGHX-CQSZACIVSA-N 310.442 -0.097 30 20 DBED COCC#CCNCCCNC(=O)c1ccn(CCOC)n1 1162264813 WFVZZUCMSXJQOR-UHFFFAOYSA-N 308.382 -0.111 30 20 DBED C#CCNC(=O)CNCC1(CCNC(=O)c2cncnc2)CC1 1164214482 LXBARTDJYBUBTH-UHFFFAOYSA-N 315.377 -0.284 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)c2c[nH]c(=O)cn2)C1=O 1165301745 NZJAVHQXHQMEON-NSHDSACASA-N 319.365 -0.734 30 20 DBED Cn1cc([C@@H]2C[C@H]2C(=O)NCCCNCC(=O)NCC#N)cn1 1167103273 QEQIDOHJQWQMRO-QWHCGFSZSA-N 318.381 -0.741 30 20 DBED C=CCNC(=O)[C@H](C)NCC1(CCNC(=O)c2nc[nH]n2)CC1 1167483947 LEMHBRMOPSLBRL-NSHDSACASA-N 320.397 -0.015 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@H](C)N1CCCCC1=O 1176850457 JHTKBSMSTMWHRV-ZDUSSCGKSA-N 324.425 -0.215 30 20 DBED C[C@H]1[C@@H](NCc2nc(O)n[nH]2)CCN1C(=O)CSCC#N 1178147539 FMVDGPGOPQSVJJ-IUCAKERBSA-N 310.383 -0.154 30 20 DBED C[C@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)Cc1cnc[nH]1 1179608556 OQQCRVJKJYMKIB-JQWIXIFHSA-N 304.354 -0.829 30 20 DBED Cn1cc(C(=O)NCCCCCCNCC#N)c(=O)n(C)c1=O 1179735902 PZNYFNYTXKMOOK-UHFFFAOYSA-N 321.381 -0.513 30 20 DBED C=CCNC(=O)[C@H](C)NC[C@]1(C)CN(C(=O)C(N)=O)C[C@H]1C 1182446931 QHTKAOXYHRLKBQ-JRPNMDOOSA-N 310.398 -0.763 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)c2ccc(=O)n(C)c2)C1 1183913419 YBRRSCYZKOGBQW-CYBMUJFWSA-N 318.377 -0.508 30 20 DBED CCO[C@@H](CC)C(=O)N1CC[C@H]2CN(CC(=O)NCC#N)C[C@H]21 1187101900 QWWHLVIJAPIVAY-MJBXVCDLSA-N 322.409 -0.026 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)CC(C)(C)O)[C@@H]2C1 1187728757 AQUAAKCAODPWLZ-QWHCGFSZSA-N 307.394 -0.571 30 20 DBED CC#CCN1C[C@@H]2CCN(C(=O)[C@@H](C)NS(C)(=O)=O)[C@@H]2C1 1189247135 XYKWGYVQNNUGEN-FRRDWIJNSA-N 313.423 -0.520 30 20 DBED COCC#CCN(C)[C@H]1CCN(C(=O)[C@H]2CCNC(=O)C2)C1 1189631502 HHGRBNYUDOZGPS-KBPBESRZSA-N 307.394 -0.305 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@@H]1CCN(C(=O)c2cncnc2)C1 1189788030 SYJDOCXTOLJZCS-TZMCWYRMSA-N 315.377 -0.239 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@@H](N(C)Cc2ncnn2C)C1 1190093980 FXQWAVQEDASKHO-CHWSQXEVSA-N 305.382 -0.114 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2C)C1 1191800255 PAGPBUGOQBGROJ-OLZOCXBDSA-N 322.409 -0.558 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)C[C@@H](C)COC)C1 1193154775 CWAFAGYYRMTEJQ-ZIAGYGMSSA-N 309.410 -0.059 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCCN(Cc2nc(O)n[nH]2)CC1 1195652811 YBMBDSRTIUMVSF-AWEZNQCLSA-N 309.370 -0.128 30 20 DBED C#CCN1CCCN(C(=O)CCCN2C(=O)CNC2=O)CC1 1198065448 UPHMOTHERKUXFP-UHFFFAOYSA-N 306.366 -0.514 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)CNC(=O)C2CCC2)C1 1199051888 XIIWILUYECYBKL-VXGBXAGGSA-N 315.801 -0.184 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CN(CC(=O)N(C)CC)C[C@H]1O 1199315483 YZANYOVVNSOIMO-YNEHKIRRSA-N 313.398 -0.783 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC(N[C@H]2CCCNC2=O)CC1 1200531510 DZWBOHQLQZCUJF-JSGCOSHPSA-N 307.394 -0.116 30 20 DBED C[C@@H]1[C@H](C(=O)N2CCC(NCC(=O)NCC#N)CC2)CCN1C 1200635593 AMINDPOJVOQGSS-TZMCWYRMSA-N 321.425 -0.453 30 20 DBED Cn1cccc(C(=O)N2CCCO[C@@H](CNCC#N)C2)c1=O 1201879981 JRNBTNYIXABOQS-LBPRGKRZSA-N 304.350 -0.270 30 20 DBED CCS(=O)(=O)N(C)CC(=O)N1CCC(NCC#N)CC1 1203144201 YPRZTQBGQXZPOD-UHFFFAOYSA-N 302.400 -0.628 30 20 DBED C#CCCNC1CCN(C(=O)[C@H]2COCCN2C(C)=O)CC1 1203780391 DUZRXSPZMXQXOR-OAHLLOKOSA-N 307.394 -0.162 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@@H](CCC)S(N)(=O)=O)[C@H](C)C1 1208105935 UIMYMQLODHTDRX-IJLUTSLNSA-N 301.412 -0.487 30 20 DBED COCC#CCN[C@H]1CCCN(C(=O)[C@]2(C)CNC(=O)C2)C1 1208688929 YAZACPASVSNWLR-BBRMVZONSA-N 307.394 -0.257 30 20 DBED Cc1n[nH]c(C)c1C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1209541355 RRMPXPYPVHSDCV-BXKDBHETSA-N 318.381 -0.284 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)c2ccncn2)[C@H](C)C1 1209606615 MBYCDFGCMJWTDZ-DGCLKSJQSA-N 303.366 -0.171 30 20 DBED COc1nccc(CN2C[C@@H](NC(=O)[C@H](C)C#N)[C@H](OC)C2)n1 1212038904 ANNYCIGEEMTHKE-RAIGVLPGSA-N 319.365 -0.040 30 20 DBED COCC#CCN1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@H](OC)C1 1212141128 FKMOAWMRFTWGLK-HUUCEWRRSA-N 316.361 -0.035 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)Cc2cc[nH]n2)C[C@H]1C 1214377890 PSFPBXWBDKKJFR-DGCLKSJQSA-N 303.366 -0.862 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)COC(C)(C)C)C[C@H]1C 1214469985 FALGSBCYOWNXAQ-CHWSQXEVSA-N 309.410 -0.013 30 20 DBED C=CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H](C)NS(C)(=O)=O 1218696705 HGFKOBFWLNTXAR-SDDRHHMPSA-N 317.411 -0.978 30 20 DBED Cc1nc([C@H](C)N2C[C@H](O)[C@H](NC(=O)C#CC3CC3)C2)n[nH]1 1219591425 CXTJXUWIUFWASD-BIMULSAOSA-N 303.366 -0.251 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2nccnc2C)C[C@@H]1O 1219611760 IBYANDJUGUENTH-CABCVRRESA-N 318.377 -0.514 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@@H](C)NC(=O)C2CCCC2)C1 1219684892 UXPWUAGJFKDUOB-YUELXQCFSA-N 321.421 -0.134 30 20 DBED C#CCCCCCC(=O)N[C@@H]1CN(Cc2nnn(C)n2)C[C@@H]1O 1220144269 AUBUIULIOFWPJY-OLZOCXBDSA-N 320.397 -0.545 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCCN(C(=O)c2nonc2C)C1 1222104941 NYKATSUCKHLCQO-RYUDHWBXSA-N 319.365 -0.290 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)CSCC#N)CC1 1222419685 FBOGZXGGJAETAV-UHFFFAOYSA-N 322.434 -0.179 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1CCN([C@H]2CCNC2=O)CC1 1223183479 ZUQDXLRUNDGPLS-JSGCOSHPSA-N 307.394 -0.259 30 20 DBED Cc1c[nH]c(C(=O)NCC2CCN(CC(=O)NCC#N)CC2)n1 1224788258 PYMHGZIDIVKBOE-UHFFFAOYSA-N 318.381 -0.200 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)c2snnc2C)CC1 1225980737 XKEGPLUBTDRHPO-UHFFFAOYSA-N 321.406 -0.210 30 20 DBED N#CCNC(=O)CN1CCC(NC(=O)CCn2cccn2)CC1 1226096326 MCNFHLAFYOZHAQ-UHFFFAOYSA-N 318.381 -0.506 30 20 DBED C#CCNC(=O)CC(=O)NC1CCN(CC(=O)N(C)CC)CC1 1226961938 SSKUNGVCXBEFSY-UHFFFAOYSA-N 322.409 -0.815 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)[C@@H](C)CCOC)CC1 1230305469 NTKWESGHABMLRO-ZDUSSCGKSA-N 309.410 -0.011 30 20 DBED C[C@@H](C#N)C(=O)N(C)C[C@H]1CCN1CCN1C(=O)CNC1=O 1231292086 AVPPRKPMPBLSBF-WDEREUQCSA-N 307.354 -0.769 30 20 DBED C#CCNC(=O)[C@H](C)N(C)CCCNC(=O)Cn1cc(C)cn1 1234642327 YMJPGPOOQPLNGR-AWEZNQCLSA-N 319.409 -0.232 30 20 DBED COC[C@H]1C[C@@H](O)CN1C(=O)C(=O)N1CCC[C@@](C)(C#N)C1 1261522192 OWLRFRVOQSQXAB-JMSVASOKSA-N 309.366 -0.253 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@@H](NC(=O)C2(COC)CC2)C1 1269147473 YLJYFFOKVANZLO-QWHCGFSZSA-N 307.394 -0.259 30 20 DBED N#CCOc1ccc(NC(=O)C(=O)NN2CCCNC2=O)cc1 1320867517 ZKSIGQCHJUTXRY-UHFFFAOYSA-N 317.305 -0.026 30 20 DBED CN1CC[C@@H](N(C)C(=O)CCN/C(O)=C2\N=CC=CC2=O)C1=O 1324029237 KAQBWGZPARHKDH-WBNXYMAISA-N 320.349 -0.408 30 20 DBED N#CCNC(=O)CNC(=O)N1CCC(N2CCCCC2=O)CC1 1325033903 MTRLEKZZYJOUIE-UHFFFAOYSA-N 321.381 -0.187 30 20 DBED C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCO[C@@H](C#N)C2)CN1C1CC1 1325495664 OONKWAVCLOHRDT-WZRBSPASSA-N 306.366 -0.521 30 20 DBED Cc1[nH]c2ccnn2c(=O)c1CC(=O)N[C@@](C)(C#N)CN(C)C 1326444932 AMLZGMNTGBJWNB-HNNXBMFYSA-N 316.365 -0.166 30 20 DBED C#CCSCC(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 1333733565 HALSJRVLQDBTAQ-SNVBAGLBSA-N 318.420 -0.838 30 20 DBED COC[C@]1(CO)CCN(C(=O)C(=O)N2CCC[C@H](C#N)C2)C1 1338081325 JPKLPZKYZYGUOX-IUODEOHRSA-N 309.366 -0.394 30 20 DBED C=CCCC[C@@H](N)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 1339962622 VECNVITXVZJOHL-CYBMUJFWSA-N 322.409 -0.381 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCC=C(C)C1 1347198298 CLOAWAYILWIPHS-UHFFFAOYSA-N 300.380 -0.118 30 20 DBED C[C@@H](CS(C)(=O)=O)NC(=O)C(=O)N1CCC[C@H](CC#N)C1 1350752015 XYBOZYRSRLYNDC-WDEREUQCSA-N 315.395 -0.312 30 20 DBED CN1CCC[C@H](CNC(=O)CCn2cc(C#N)c(O)nc2=O)C1 1362132778 QQSGKWBYEVUEAZ-LLVKDONJSA-N 319.365 -0.331 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)C[C@H]2CCCS(=O)(=O)C2)CCO1 1365036486 PMHFNKKKPLUXOB-WDEREUQCSA-N 322.408 -0.635 30 20 DBED CCN(CCC#N)C(=O)CN1CC(O)(CNC(=O)C2CCC2)C1 1368283208 AVHIKZCVTBURNG-UHFFFAOYSA-N 322.409 -0.288 30 20 DBED CCN(CCNC(=O)c1cccn2nnnc12)C(=O)[C@H](C)C#N 1373828923 RTQPRWDQFUKILW-SNVBAGLBSA-N 315.337 -0.138 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)c2ccc(C(N)=O)o2)CC1 1379081233 JWTOGJIZLYUZHC-QMMMGPOBSA-N 304.306 -0.083 30 20 DBED C[C@@H](CN(C)C(=O)CN1CCCNC1=O)NC(=O)[C@H](C)C#N 1382098111 VGZSSKRBMZWMJT-MNOVXSKESA-N 309.370 -0.476 30 20 DBED N#Cc1ccc(C(=O)NC[C@@H](O)CNC(=O)[C@H]2CCCCO2)[nH]1 1392058899 BBBPTZGAKGXEKC-DGCLKSJQSA-N 320.349 -0.338 30 20 DBED COCCC1(C(=O)N(C)C[C@H](O)CNC(=O)[C@H](C)C#N)CC1 1396021313 ZVKYTRMQDIVULT-VXGBXAGGSA-N 311.382 -0.102 30 20 DBED CC[C@H](C)OCC(=O)NC[C@H](O)CNC(=O)c1cc(C#N)c[nH]1 1399820891 NKFCKIKIRQGKKF-JQWIXIFHSA-N 322.365 -0.092 30 20 DBED C=C(Cl)CN(C)C[C@@H](C)NC(=O)Cn1ncn(C)c1=O 1406636263 GABVDFFSDAZNDS-SNVBAGLBSA-N 301.778 -0.229 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)C1(NC(N)=O)CC1 1407717791 NBRHSEBKPKGPOL-GARJFASQSA-N 319.365 -0.451 30 20 DBED C[C@@H](C(=O)N(C)CCN(C)C(=O)[C@H](C)C#N)S(C)(=O)=O 1410048473 ZJOQGTOATFEFTP-ZJUUUORDSA-N 303.384 -0.504 30 20 DBED Cc1cnc2nc(C(=O)N[C@H](C)CNC(=O)[C@H](C)C#N)nn2c1 1410240845 KNZAGYVKLQAWHE-NXEZZACHSA-N 315.337 -0.173 30 20 DBED C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)[C@H]1COC(=O)N1 1410356460 QLKCEHJAAVQTHK-OIBJUYFYSA-N 305.294 -0.771 30 20 DBED COc1cc(CN2C[C@H](C(N)=O)[C@@H](C(N)=O)C2)ccc1C#N 1414175471 ZKKYKNPIDRWGSZ-RYUDHWBXSA-N 302.334 -0.415 30 20 DBED CCN(CCNC(=O)[C@@H](C)C#N)C(=O)CCn1cnccc1=O 1415720134 MBMAWLQHNWFRQR-LBPRGKRZSA-N 319.365 -0.242 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@H]2CNC(=O)Cn2cncn2)c1 1417084039 KUSNXLYTUKDZFN-NSHDSACASA-N 313.321 -0.491 30 20 DBED C[C@H](C#N)C(=O)N(C)CCN(C)C(=O)c1cccn2nnnc12 1452143070 ARGLBMJDNIWFHE-SNVBAGLBSA-N 315.337 -0.186 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1cc(Cl)no1 1452402331 CEBUAHJPCRTZFB-BQBZGAKWSA-N 300.702 -0.305 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@@H]1CCN(C(=O)CN2CCOCC2=O)C1 1453666119 QZSDSJASAATSRK-VXGBXAGGSA-N 322.365 -0.936 30 20 DBED N#Cc1cn(CCNC(=O)COCC(F)(F)F)c(=O)nc1O 1453845762 UGRNRAPKDBNZDA-UHFFFAOYSA-N 320.227 -0.484 30 20 DBED COCCn1cc(C(=O)N2CC(NC(=O)[C@@H](C)C#N)C2)nn1 1456388122 BBPRCMVWNSDLJR-VIFPVBQESA-N 306.326 -0.975 30 20 DBED CC1(C)C[C@@H](NC(=O)Cn2cc(C#N)c(O)nc2=O)CCO1 1466711655 RUKSDWFYLFGTIM-JTQLQIEISA-N 306.322 -0.106 30 20 DBED C[C@@H](CNC(=O)CNC(=O)c1ccccn1)NC(=O)[C@H](C)C#N 1494749726 CDZPTLDXZFYOBG-MNOVXSKESA-N 317.349 -0.408 30 20 DBED CC(=O)NCC(=O)NC[C@H]1CCN1C(=O)c1ccc(C#N)[nH]1 1505589566 ACYJIZOPOJTFJL-LLVKDONJSA-N 303.322 -0.647 30 20 DBED C#CC[C@H](NC(=O)CC1(n2cnnn2)CCOCC1)C(=O)O 1588405610 HSHNKCVGUVSCBR-JTQLQIEISA-N 307.310 -0.838 30 20 DBED C#CCN1CCC[C@@H](NC(=O)N2CC[C@@](OC)(C(=O)O)C2)C1 1588477266 XKMPHSLGUSSVNX-DOMZBBRYSA-N 309.366 -0.031 30 20 DBED C=CCOC[C@@H](NS(=O)(=O)N(C)C[C@H](C)C#N)C(=O)O 1588866283 LFOXYORXBYIOAF-NXEZZACHSA-N 305.356 -0.432 30 20 DBED C=CCOCCCNC(=O)C(=O)N1CC[C@](OC)(C(=O)O)C1 1588867098 XGMDSRBRLAXILO-CQSZACIVSA-N 314.338 -0.603 30 20 DBED COCC[C@H]1COCCN1c1cnc(C#N)c(-c2nn[nH]n2)n1 1591402568 AAWILWVDARZMLN-VIFPVBQESA-N 316.325 -0.230 30 20 DBED C[C@@H]1C[C@@]1(C(=O)O)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1594225165 XTWVPIFAYPXDGE-DTVLGXAZSA-N 312.347 -0.506 30 20 DBED C#CCN(CC(=O)O)C(=O)NC[C@@H](C)CN1CCN(C)CC1 1602684378 ZERFWEFKUKJQDO-CYBMUJFWSA-N 310.398 -0.401 30 20 DBED C#CC1(O)CN([C@@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 1602691017 PERNQHMTHGSTAJ-CYBMUJFWSA-N 324.344 -0.348 30 20 DBED C#CCN(CC(=O)O)c1nnc([C@]2(C)CCC(=O)NC2)n1C 1602700804 JWMYTMCQJLYKCR-CQSZACIVSA-N 305.338 -0.493 30 20 DBED N#CC1(C[C@@H](O)CN2CCN([C@@]3(C(=O)O)CCOC3)CC2)CC1 1608175909 KIUBHIXLZNXYGM-CJNGLKHVSA-N 323.393 -0.098 30 20 DBED C=C[C@@H](O)C(=O)OCCCN1C(=O)CS/C1=C\C(=O)O 1609287470 RCTICXKJJGCOHD-NDVARNPJSA-N 301.320 -0.032 30 20 DBED N#C[C@@]1(F)CCN(c2nnnn2CCCN2CCOCC2)C1 1647438749 BZLBXAZDQQGHSQ-ZDUSSCGKSA-N 309.349 -0.163 30 20 DBED CCCCS(=O)(=O)NCC(=O)N[C@@H]1CCCN(CC#N)C1 1713793454 IEBICBDPGHLFJH-GFCCVEGCSA-N 316.427 -0.190 30 20 DBED Cn1ccc(CC(=O)NC[C@H](NCC(=O)NCC#N)C2CC2)n1 1752463387 KUTWPFMYRRYZJP-ZDUSSCGKSA-N 318.381 -0.913 30 20 DBED C#CCNCCNC(=O)[C@@H]1CCCN(C(=O)CC2(O)CCC2)C1 1752926529 STUDXXCPPNPVPP-CQSZACIVSA-N 321.421 -0.131 30 20 DBED CC#CCNC[C@@H]1CCN(C(=O)CC[C@@H]2NC(=O)NC2=O)C1 1752971902 IJAWRMMAWSWTDW-RYUDHWBXSA-N 306.366 -0.564 30 20 DBED C=CCNC(=O)CN1CCC[C@@H]1CNC(=O)c1n[nH]c(C)c1O 1753100548 AEVHFASGSHJNBP-LLVKDONJSA-N 321.381 -0.080 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@H](C)CNC(=O)c1cc(C)ncn1 1753609862 LRGZKVQSQUVGQK-WCQYABFASA-N 317.393 -0.122 30 20 DBED C#CCNC[C@H](C)CNC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 1753624797 FWIMUZNTDNFEHB-XHSDSOJGSA-N 323.437 -0.159 30 20 DBED C#CCCN[C@@H]1CCN(C(=O)c2nnc(O)nc2O)C[C@@H]1C 1753757818 WBVBAEMOGGUDER-VHSXEESVSA-N 305.338 -0.254 30 20 DBED Cc1nc(O)[nH]c1C(=O)N(C)CCN(C)CC(=O)NCC#N 1753855518 ATMSJGFOTIALDR-UHFFFAOYSA-N 308.342 -0.933 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)CCNS(C)(=O)=O)CC[C@@H]21 1753871267 CTBMZDWFEHROQL-OLZOCXBDSA-N 313.423 -0.518 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](O)CNCCc1cnn(C)c1 1753929113 URPZOVDMVFSLOT-KFWWJZLASA-N 322.409 -0.380 30 20 DBED C#CCNC(=O)[C@@H](C)NCCN(CC)C(=O)CN1CCCC1 1754081908 MJTADESFAPTZSS-CQSZACIVSA-N 308.426 -0.342 30 20 DBED Cc1ncc(C(=O)N[C@H](C)CN(C)CC(=O)NCC#N)c(C)n1 1754334983 DTCIOJPTACZRID-SNVBAGLBSA-N 318.381 -0.217 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@]1(O)CCN(Cc2nc(C)no2)C1 1754748783 MOAAZFJGPIRYED-HUUCEWRRSA-N 324.381 -0.242 30 20 DBED CC#CCN1CC(O)(CNC(=O)c2nc3nccc(C)n3n2)C1 1754776458 AEYZQISSWGLVRC-UHFFFAOYSA-N 314.349 -0.767 30 20 DBED C[C@@H](NCC#N)[C@@H]1CCN(C(=O)COCc2nncn2C)C1 1754803137 KMKIOTHBJGAMHE-VXGBXAGGSA-N 306.370 -0.318 30 20 DBED C#CCCN1CCOC[C@H]1CNC(=O)CN1CCCCC1=O 1754969068 QHBMFYPYZFMMLQ-CQSZACIVSA-N 307.394 -0.161 30 20 DBED CC(C)C#CC(=O)N1CCO[C@H](CNCc2nncn2C)C1 1755002428 QUMXDXNUDQZREC-CYBMUJFWSA-N 305.382 -0.209 30 20 DBED C=CCNC[C@@H]1CN(C(=O)CCS(=O)(=O)N(C)C)CCO1 1755018214 RKNIPMJDYRRMCY-GFCCVEGCSA-N 319.427 -0.729 30 20 DBED CC(C)(F)C(=O)N1CCOC2(CN(CC(=O)NCC#N)C2)C1 1755048401 XQZCVLMALQETAV-UHFFFAOYSA-N 312.345 -0.713 30 20 DBED CC#CCN[C@]1(CO)CCCN(C(=O)C[C@H]2COC(=O)C2)C1 1755084059 FFJLRRGCSBHGEU-CZUORRHYSA-N 308.378 -0.094 30 20 DBED C[C@H](NC(=O)c1ccc(F)nc1)[C@@H](C)NCC(=O)NCC#N 1755233115 YMJRSGWKGATHNI-ZJUUUORDSA-N 307.329 -0.043 30 20 DBED C[C@H]1[C@H](NCC(=O)NCC#N)CCN1C(=O)CCn1cccn1 1755665984 VXTQCTPTQYYHSK-QWHCGFSZSA-N 318.381 -0.508 30 20 DBED C=CCOCC(=O)NCC1[C@@H]2CN(C(=O)[C@H](C)NC(N)=O)C[C@@H]12 1756194490 GOCZSEGWPWMJCV-DLOVCJGASA-N 324.381 -0.934 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)NC[C@@H](CO)NC(=O)CC 1756528954 WPJOBBINYHQDNI-JTQLQIEISA-N 314.386 -0.747 30 20 DBED C#CCOCCC(=O)NC1CC(N(C)C(=O)CC(=O)NCC)C1 1756737374 CWSYXRIQEYMRKM-UHFFFAOYSA-N 323.393 -0.342 30 20 DBED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3cncnc3C)C2)C1 1779671769 SAZRTFMGIPLOET-INIZCTEOSA-N 314.345 -0.138 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccn(C)n1 1794791846 MLZPSGWKMQWXQS-GNXNZQSNSA-N 302.334 -0.744 30 20 DBED C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@@H](NC)C(=O)O 1796095380 MJXMXLRYBUSSOY-WRWGMCAJSA-N 307.350 -0.680 30 20 DBED C[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)CN)C2 1800983935 AVHTVNOFCVPEGI-PZWNZHSQSA-N 315.439 -0.511 30 20 DBED C#CC(=O)N[C@H]1CCc2nc(NC(=O)CNC(N)=O)sc2C1 1828328875 KIWXHSKOUMQOSY-ZETCQYMHSA-N 321.362 -0.643 30 20 DBED C#CCCC(=O)N1CCCC12CN(C(=O)[C@@H](N)CCC(N)=O)C2 1846995657 DKSOZRGNDJPIEC-LBPRGKRZSA-N 320.393 -0.804 30 20 DBED N#CCCNC(=O)CN1CCc2cc(S(N)(=O)=O)ccc21 27551729 VQAPFCULYYKNFY-UHFFFAOYSA-N 308.363 -0.274 30 20 DBED C=C(C)CNC(=S)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 36846236 YIBWSUXZJPKVFJ-JTQLQIEISA-N 319.452 -0.280 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N1CCN(CC(C)(C)O)CC1 171149863 MKKUPITWVDJWIR-GFCCVEGCSA-N 312.414 -0.225 30 20 DBED C=CCN(CC(=O)N1CCN(C)CC1)[C@H]1CCS(=O)(=O)C1 179004832 XPXDRIIARPJAPY-ZDUSSCGKSA-N 315.439 -0.565 30 20 DBED N#CC1(C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)CCCC1 263855367 APSOCJCPTWYLGN-UHFFFAOYSA-N 317.353 -0.572 30 20 DBED C[C@@H](C(=O)N[C@H](C)CC#N)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 266834571 LBFWVNKCYBJIRJ-RRZJSNMYSA-N 305.334 -0.044 30 20 DBED COC(=O)NCC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 268360015 KFWDVBMMLIBCII-SNVBAGLBSA-N 318.337 -0.259 30 20 DBED C#CCNC(=O)c1ccc(N2CCN(C[C@@H](C)O)CC2)nc1 275849355 RKYIUQJRCFFVMG-CYBMUJFWSA-N 302.378 -0.053 30 20 DBED C#CCO[C@H](C)C(=O)NCC(C)CNC(=O)[C@@H](C)OCC#C 295532849 HENACWMAPAGMPY-ZIAGYGMSSA-N 308.378 -0.069 30 20 DBED Cn1c(N[C@@H]2CC(=O)N(C3CC3)C2)c(C#N)c(=O)n(C)c1=O 301505782 ZRZYFTPJGDEVCB-MRVPVSSYSA-N 303.322 -0.869 30 20 DBED CN1CCOC[C@@H]1/C(O)=N/[C@@H]1CC(=O)N(C)[C@H]1c1ccnn1C 329123364 LJVNDFAHKWCWHM-MPKXVKKWSA-N 321.381 -0.021 30 20 DBED C[C@H](/N=C(/O)CN1CCN(S(C)(=O)=O)CC1)[C@H]1CCOC1 329835170 LYTGXQFDUYDPJF-RYUDHWBXSA-N 319.427 -0.055 30 20 DBED CC[C@H](N/C(O)=N/C[C@@H]1COCCO1)C(=O)N1CCOCC1 330288204 BMYRMGCJYUKUCU-NEPJUHHUSA-N 315.370 -0.457 30 20 DBED C=CC/N=C(/O)NC(=O)CN1CCS(=O)(=O)[C@H](C)[C@H]1C 330802324 HHQHVLSKMZVOAA-NXEZZACHSA-N 303.384 -0.290 30 20 DBED CSCC[C@H](CO)NS(=O)(=O)N1CCO[C@H](C#N)C1 336897964 OWRHKZNAIPAJCI-NXEZZACHSA-N 309.413 -0.841 30 20 DBED CC(C)[C@@H]1CN(S(=O)(=O)N2CCO[C@H](C#N)C2)CCO1 336901701 BZIKONLKEDYMNA-NEPJUHHUSA-N 303.384 -0.188 30 20 DBED C=CC[C@H](CO)CNC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 342164021 PBJCJOIHFXMMPR-AXMVNOCNSA-N 322.361 -0.550 30 20 DBED COC(=O)CC[C@@H](NS(=O)(=O)N(C)CCC#N)C(=O)OC 345705797 AZVJUIDKYJHHMC-SECBINFHSA-N 321.355 -0.839 30 20 DBED COC(=O)CN(CC#N)C(=O)c1ccc(S(N)(=O)=O)s1 348797013 HYRLKTBOWFXJPP-UHFFFAOYSA-N 317.348 -0.466 30 20 DBED CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)NCCC#N)cc1 350869508 LCSCXROZLCDUBY-UHFFFAOYSA-N 324.362 -0.047 30 20 DBED COCCN([C@@H](C)C(N)=O)S(=O)(=O)c1cncc(C#N)c1 352268025 VJMXZYOMGYTPBI-VIFPVBQESA-N 312.351 -0.536 30 20 DBED C=CCNC(=O)NC(=O)CN1C[C@@H](C)S(=O)(=O)[C@H](C)C1 352620484 DTFDLAPNYDKZPH-NXEZZACHSA-N 303.384 -0.494 30 20 DBED N#CCNC(=O)CNC(=O)N1CCCC[C@H]1CN1CCCC1=O 377028500 DBTHENMPWHKSBT-LBPRGKRZSA-N 321.381 -0.187 30 20 DBED Cc1cc(C#N)ccc1S(=O)(=O)N1CCN(C(=O)CO)CC1 408102617 GYQDHEPIPRTKCD-UHFFFAOYSA-N 323.374 -0.308 30 20 DBED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CO)CC2)s1 408403254 LACQYTADQASMHI-UHFFFAOYSA-N 315.376 -0.555 30 20 DBED CN(C(=O)C(=O)NCC#Cc1cccc(F)c1)[C@H]1CNC[C@@H]1O 419681940 VGYCAHXKUOJSHI-KBPBESRZSA-N 319.336 -0.916 30 20 DBED N#CCCN(CCN1CCOCC1)S(=O)(=O)NC1CC1 548448292 YIKREPFRIQBFDI-UHFFFAOYSA-N 302.400 -0.469 30 20 DBED N#Cc1ccc(C(=O)CNC(=O)C2(S(N)(=O)=O)CC2)cc1 570050675 KVIGCLATKQHDOW-UHFFFAOYSA-N 307.331 -0.322 30 20 DBED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN(C)C(=O)C1 570695363 SPNXOYISSWJFKS-DGCLKSJQSA-N 309.366 -0.616 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)NC[C@](C)(CC(=O)O)C(=O)O 577223848 KNWLHZLNJBUJAN-KWQFWETISA-N 321.355 -0.380 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(C)C[C@@H]2CCCN2C)C1=O 583806082 CVTGWKGRILWNEO-NSHDSACASA-N 322.365 -0.484 30 20 DBED COC1CCN(S(=O)(=O)N2CCN(CC#N)CC2)CC1 594753970 XLHXRRVWRSXIKA-UHFFFAOYSA-N 302.400 -0.517 30 20 DBED CN(CCC#N)S(=O)(=O)NCc1nc(C(N)=O)cs1 594860673 AREGTQSBYFWENY-UHFFFAOYSA-N 303.369 -0.578 30 20 DBED CCOCCS(=O)(=O)NCC(=O)N(C1CC1)[C@@H](C)C#N 598130782 GZFBRGJBJCZQBQ-JTQLQIEISA-N 303.384 -0.155 30 20 DBED C[C@@H](NC(=O)N1CCN(CCC#N)CC1)[C@H]1CN(C)CCO1 601585656 JIHJJXQARSOJED-ZIAGYGMSSA-N 309.414 -0.054 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)NCCOC[C@H]1CCOC1 619709643 WILIMJVOLVRPDS-NEPJUHHUSA-N 305.400 -0.035 30 20 DBED CC#CC[C@@H](CO)Nc1cc(N2CCN(C)C(=O)C2)ncn1 645406352 YYCYONAPRPWLDC-LBPRGKRZSA-N 303.366 -0.059 30 20 DBED N#CCN(CC(=O)O)C(=O)CCN1C(=O)NC2(CCCC2)C1=O 739077072 HCJINKJMOYBCHZ-UHFFFAOYSA-N 322.321 -0.322 30 20 DBED C#CCNC(=O)COC(=O)c1cccnc1N1CCOCC1 755316030 SZLPSJFOXZLCCX-UHFFFAOYSA-N 303.318 -0.176 30 20 DBED C#C[C@H](NC(=O)NCCC(=O)N1CCOCC1)[C@@H]1CCCO1 773214622 WMTGCQMAGBRDFZ-STQMWFEESA-N 309.366 -0.285 30 20 DBED C#CCNC(=O)COC(=O)[C@](C)(O)Cn1c(C)cccc1=O 795771186 CQUUQXCMNFGVRM-OAHLLOKOSA-N 306.318 -0.800 30 20 DBED C#CCC[C@H](O)CNC(=O)NCCS(=O)(=O)CC1CC1 798440003 FWMXAXYBHZNYKQ-LBPRGKRZSA-N 302.396 -0.115 30 20 DBED CN(C(=O)NCCn1cnc(C#N)n1)[C@@H]1CC(C)(C)OC1=O 813751994 UNVVSBCJVIPRTO-SECBINFHSA-N 306.326 -0.115 30 20 DBED C=CCCC(=O)[C@H]1CCCN1C(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 820449372 HVJFANQXNLSZMN-NMFUWQPSSA-N 309.362 -0.075 30 20 DBED N#C[C@H]1CNC[C@H]1NC(=O)CN1CCN(c2ccccn2)CC1 834499586 JZNLOZLTPBTMTL-UONOGXRCSA-N 314.393 -0.569 30 20 DBED N#C[C@@H](C(=O)Cn1nc2n(c1=O)CCCC2)C(=O)NC1CC1 845443011 SJESLFSPTDHPJT-JTQLQIEISA-N 303.322 -0.631 30 20 DBED C#CC[C@H](CO)NC(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 854545552 LLQWIPVLDRDQQU-JIFFNSBPSA-N 320.345 -0.961 30 20 DBED CC[C@H]1COCCN1CCNc1c(C#N)c(=O)n(C)c(=O)n1C 872772107 QKGPRUQEUMYNIL-NSHDSACASA-N 321.381 -0.522 30 20 DBED C#Cc1cncc(C(=O)N2CCN(C(=O)C(OC)OC)CC2)c1 912354470 FBAZELPSDMFWNF-UHFFFAOYSA-N 317.345 -0.034 30 20 DBED CC[C@H](C)NC(=O)CN1CCN(CC(=O)NCCC#N)CC1 913054349 KPTOUMDWKYJAKB-ZDUSSCGKSA-N 309.414 -0.451 30 20 DBED COCCOCCN(CCO)S(=O)(=O)CC(C)(C)C#N 917989749 BMJQGFUAXOANHM-UHFFFAOYSA-N 308.400 -0.177 30 20 DBED CC1(C)CNC(=O)[C@H]1NCC#CCN[C@@H]1C(=O)NCC1(C)C 931657650 VPVHTRZIXINGRC-VXGBXAGGSA-N 306.410 -0.782 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)c2ccn(C)c(=O)c2)C1 938229459 JWBKHSMRMITILQ-JQWIXIFHSA-N 302.334 -0.124 30 20 DBED C#Cc1ccccc1CC(=O)N1C[C@@H](NC(=O)C(N)=O)[C@H](C)C1 939691041 ADYYQNZQSSISEW-BXUZGUMPSA-N 313.357 -0.341 30 20 DBED COc1ncc(C(=O)N[C@@H]2CCN(C(=O)[C@H](C)C#N)C2)cn1 942332346 RPLHIVPCNIWVNJ-MWLCHTKSSA-N 303.322 -0.024 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)C2CCN(C)CC2)C1 944656101 YSXOAXVREXGXCB-JSGCOSHPSA-N 322.409 -0.169 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(N(C)C(=O)C(N)=O)CC1 954260769 TXSFXQREPBXBIP-STQMWFEESA-N 323.393 -0.098 30 20 DBED N#CCN1C[C@H](CNC(=O)c2cc3c(cn2)OCCO3)[C@@H](O)C1 958149086 NAZIDBQCUVLJAX-JQWIXIFHSA-N 318.333 -0.601 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2c(OC)ccnc2OC)C1 958248498 JVYSAPHHVGAHAC-NWDGAFQWSA-N 319.361 -0.246 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](NC(=O)c2cnn(C)c2N)[C@H](C)C1 958367802 BKNKAVAOVWBCNV-FXPVBKGRSA-N 304.354 -0.261 30 20 DBED Cn1cc(CN2C[C@H]3C(NC(=O)c4ccc(C#N)[nH]4)[C@@H]3C2)nn1 958590389 QECFQEYKTGJWAN-VXGBXAGGSA-N 311.349 -0.125 30 20 DBED C#CCN1C[C@H](CNC(=O)c2cnn3ccc(C)nc23)[C@@H](O)C1 958599953 WCRGYHHOURKDKI-JSGCOSHPSA-N 313.361 -0.307 30 20 DBED CC#CCN1C[C@H](O)[C@H](CNC(=O)c2cncc(C(N)=O)c2)C1 958692547 BJTWHMDSXRCPJJ-KGLIPLIRSA-N 316.361 -0.774 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CC2CCOCC2)C1 958764031 DFQNYSMOKCGEGJ-UBHSHLNASA-N 323.393 -0.007 30 20 DBED CN(C(=O)c1n[nH]cc1F)[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 958952918 XDIMLJDEOXKSOB-RYUDHWBXSA-N 320.324 -0.394 30 20 DBED C[C@H]1CN(C(=O)C(N)=O)C[C@@H]1CNC(=O)c1cc(C#N)c[nH]1 959576450 NMZRYJALYBNOAX-WPRPVWTQSA-N 303.322 -0.804 30 20 DBED CC#CCN1C[C@@H]2C(NC(=O)[C@H]3C[C@H](OC)CN3C(C)=O)[C@H]2C1 961358053 MHAFPKRWVAKEFL-ZQDZILKHSA-N 319.405 -0.308 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H](NC(=O)Cn2cncn2)CC1 965199508 RVYJTTMHIBMOTO-NWDGAFQWSA-N 304.354 -0.065 30 20 DBED C=CCCN1CC[C@H](C)[C@@H](NC(=O)Cn2ncn(C)c2=O)C1 967028546 DUJHRJUPZKJOSY-STQMWFEESA-N 307.398 -0.016 30 20 DBED C=C1CC(C)(C(=O)N2CCN(C3CN(C(=O)C(N)=O)C3)CC2)C1 967252275 UDODMTBDAQVLJF-UHFFFAOYSA-N 320.393 -0.817 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C(C)C)C[C@@H]1O 968345544 BMUSYXDNMPCKNQ-RDBSUJKOSA-N 307.394 -0.572 30 20 DBED C[C@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)[C@H]1CCNC(=O)C1)C2 969805716 KSXZQUQRIDWLGI-VOAKCMCISA-N 318.377 -0.126 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)[C@]1(C)CCNC1=O 970002708 ZCSAHOOTSBYSDI-PVTKRXDGSA-N 318.377 -0.126 30 20 DBED C#CCN1CC([C@H](C)NC(=O)c2nc(O)nc(O)c2OC)C1 970735005 KIGMAHCYWQGDDC-QMMMGPOBSA-N 306.322 -0.420 30 20 DBED CC#CCN1CC([C@H](C)NC(=O)c2nc(O)nc(O)c2OC)C1 970737192 KOUZTALXIKIZNS-VIFPVBQESA-N 320.349 -0.030 30 20 DBED CN([C@@H]1CCN(C(=O)C#CC2CC2)C1)[C@@H]1CCC(=O)NC1=O 971507490 INQMQYKJLNEUEX-CHWSQXEVSA-N 303.362 -0.262 30 20 DBED CC#CCN1C[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C(C)(C)C1 975100718 GHRNRDXGBXEJPE-WDEREUQCSA-N 306.366 -0.566 30 20 DBED C#Cc1ccccc1CC(=O)N1C[C@H]2[C@H](NC(=O)C(N)=O)[C@H]2C1 977084990 ZRBKDQWYPRCMAZ-NHAGDIPZSA-N 311.341 -0.731 30 20 DBED CC#CCN1CCCN(C(=O)[C@H]2CCN(C)S2(=O)=O)CC1 982165396 DNRDHWCHNYWVGO-CYBMUJFWSA-N 313.423 -0.422 30 20 DBED CCO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1CNC(=O)c1cnon1 983252084 FDGPWYGTEWLVMY-CKYFFXLPSA-N 321.337 -0.177 30 20 DBED Cn1nnnc1CNC[C@H]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 983422761 NNYZEZXFNGXNMG-HOMQSWHASA-N 314.353 -0.292 30 20 DBED CN1C(=O)CN(CC(=O)N2CCC(N(C)CC#N)CC2)C1=O 985753096 GBRCDJZEHODGMR-UHFFFAOYSA-N 307.354 -0.673 30 20 DBED C[C@H]1[C@@H](NCc2nnnn2C)CCN1C(=O)c1c[nH]c(C#N)c1 986179718 ZWXPQXOHOOGXPT-CABZTGNLSA-N 314.353 -0.197 30 20 DBED C#CCN[C@@H]1CCN(C(=O)CN2C(=O)CC(C)(C)C2=O)[C@@H]1C 986280415 MHAVFSKMVAUFHH-VXGBXAGGSA-N 305.378 -0.016 30 20 DBED COCCn1nc(C(=O)N2CC[C@@H](NCC#N)[C@H]2C)ccc1=O 986512782 BUMIDQWWUHEYKG-VXGBXAGGSA-N 319.365 -0.394 30 20 DBED C=C(Cl)CN[C@H]1CCN(C(=O)CN2CCNC(=O)C2)[C@H]1C 986669301 ILHGRYOSSQQEJJ-RYUDHWBXSA-N 314.817 -0.250 30 20 DBED CN(C[C@H]1CCN(C(=O)C#CC2CC2)C1)C(=O)[C@H]1CCNC1=O 987990142 FROWSDBCVZFCNK-KGLIPLIRSA-N 317.389 -0.157 30 20 DBED N#Cc1cc(C(=O)NC2CN(C(=O)[C@@H]3CC[C@@H]3C(N)=O)C2)c[nH]1 990927713 GVXQNBIXYWUZQP-NWDGAFQWSA-N 315.333 -0.662 30 20 DBED C#CCCN1CC[C@@]2(NC(=O)CN3CCOCC3=O)CCC[C@@H]12 991091770 YSMLAAAXDHZKCQ-PBHICJAKSA-N 319.405 -0.018 30 20 DBED Cc1nnc(CC(=O)NC2CN(C(=O)c3c[nH]c(C#N)c3)C2)o1 991170255 XHSJSLUIKVYOPI-UHFFFAOYSA-N 314.305 -0.239 30 20 DBED O=C(N[C@@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1O)C1=COCCO1 991234582 UFVNSIGAQICWTI-OLZOCXBDSA-N 320.345 -0.634 30 20 DBED C#CCCN1CC[C@]2(NC(=O)CN3CC(=O)NC3=O)CCC[C@@H]12 992313791 ACVSQFDDKJFESJ-MLGOLLRUSA-N 318.377 -0.325 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN(C(=O)Cc2cc[nH]n2)C1 994749626 CBYSVORUJNSURV-AWEZNQCLSA-N 315.377 -0.623 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)Cc2nc[nH]n2)C1 1000031911 DVECDOLRRXCRJA-MNOVXSKESA-N 305.338 -0.735 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC(CNC(=O)C3=COCCO3)C2)c1 1000784918 LMESQAAKRRDVBH-UHFFFAOYSA-N 316.317 -0.037 30 20 DBED O=C(C#CC1CC1)N1CCN(C(=O)[C@@H]2CCS(=O)(=O)C2)CC1 1011110726 MLJBIWGYZKUUKC-CYBMUJFWSA-N 324.402 -0.495 30 20 DBED CCn1nc(C)c(C(=O)NC2[C@@H]3CN(C(=O)[C@H](C)C#N)C[C@@H]23)n1 1013350014 UQFHLTMKPSGIDG-FBIMIBRVSA-N 316.365 -0.047 30 20 DBED C[C@@H]1[C@H](NC(=O)c2ccc(C#N)[nH]2)CCCN1C(=O)C(N)=O 1014882030 QTJSAZICWUYKQF-PSASIEDQSA-N 303.322 -0.519 30 20 DBED C[C@H]1[C@@H](NC(=O)Cn2ncnn2)CCCN1C(=O)C#CC1CC1 1014962886 NQHFODMYNCYXEB-AAEUAGOBSA-N 316.365 -0.418 30 20 DBED O=C1NC[C@H](C(=O)N2CC3(CCN(C(=O)C#CC4CC4)C3)C2)N1 1019349337 IBMQGNYXYFDUGL-GFCCVEGCSA-N 316.361 -0.858 30 20 DBED C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 1022218204 IJTNUWHGIMRECW-YIZRAAEISA-N 300.746 -0.426 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]2CN(C(=O)c3cnn(C)c3N)C[C@H]21 1022564272 HWAIDJFGBGTJGM-JBLDHEPKSA-N 316.365 -0.165 30 20 DBED Cn1[nH]c(CNC[C@@H]2CCN(C(=O)C#CC3CC3)C2)nc1=O 1026835211 REVWXWPCTJHHIG-LBPRGKRZSA-N 303.366 -0.540 30 20 DBED C=C(C)CN(C)[C@H]1CCCN(C(=O)Cn2cnc(C(N)=O)n2)C1 1027419308 OSRILGQENDWEMY-LBPRGKRZSA-N 320.397 -0.124 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCCN1CC(=O)NC 1027943017 IKRIZMOQBQKYJB-KGLIPLIRSA-N 306.410 -0.589 30 20 DBED C=CCN1[C@H]2CC[C@H]1CN(C(=O)Cn1nc(C)n(C)c1=O)C2 1029569731 CZMHHYCRLDPQLA-STQMWFEESA-N 305.382 -0.249 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)c3cc(=O)n(C)o3)C2)C1=O 1030255801 CMWMEDSPZUQDPX-NSHDSACASA-N 320.349 -0.821 30 20 DBED CN1C[C@H](C(=O)NC2CN(Cc3ccc(C#N)s3)C2)NC1=O 1030792851 CGHWVRQNGLFQGL-GFCCVEGCSA-N 319.390 -0.056 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(CC(=O)N(C)C2CC2)C1 1030977548 OLHWJQKBJYHUCV-KGLIPLIRSA-N 307.394 -0.001 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)Cn3ccnc3C)C2)C1=O 1031392177 ZEUNWAXUPKMBKV-AWEZNQCLSA-N 317.393 -0.221 30 20 DBED C#CCN1CCO[C@H](CNC(=O)c2ccnc3c2nnn3C)C1 1035486638 DSIHZJVBZIVNDB-LLVKDONJSA-N 314.349 -0.573 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)CN3C(=O)CCC3=O)CC[C@H]21 1036890123 NLCTUXJXUBDWRP-CHWSQXEVSA-N 303.362 -0.309 30 20 DBED N#Cc1ccc(C(=O)NC[C@H]2CCN2CCN2CCNC2=O)[nH]1 1038171830 BWCIQIOFHSFRTL-GFCCVEGCSA-N 316.365 -0.284 30 20 DBED C[C@H]1[C@@H](Nc2cncc(C#N)n2)CCN1C(=O)[C@H]1COC(=O)N1 1040113987 VFWQCCLYDLAPDL-INTQDDNPSA-N 316.321 -0.142 30 20 DBED C=CCCC(=O)N1CC[C@](O)(CNC(=O)CCCC(N)=O)C1 1040212170 NDUWDOQQXJDXLW-HNNXBMFYSA-N 311.382 -0.312 30 20 DBED Cc1cnn(CC(=O)NCC2(O)CN(C(=O)[C@H](C)C#N)C2)c1 1041776185 QGQZSKCXIYPWJS-LLVKDONJSA-N 305.338 -0.959 30 20 DBED C=CCCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2cc[nH]n2)C1 1041873133 AALGEXIOXMENRA-NSHDSACASA-N 322.365 -0.306 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)c2cc(=O)n(C)cn2)C1 1041973292 UUEJKTFQCKJTOS-UHFFFAOYSA-N 320.349 -0.950 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)[C@H]2CCC(=O)N2)C1 1042074727 UDYQQCUPJXOVRY-SNVBAGLBSA-N 309.366 -0.833 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)C(F)=C(C)C)C1 1042519085 VLVIYCAZBUHNRB-NSHDSACASA-N 312.341 -0.022 30 20 DBED C=CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)c2coc(C)n2)C1 1042747830 LQRJMHKGHSHACQ-SNVBAGLBSA-N 323.349 -0.123 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CN(C)C[C@H]2C)C1 1042801876 XKMBVQDMQWNGPU-ZIAGYGMSSA-N 321.421 -0.323 30 20 DBED CC(C)[C@@H](O)C(=O)NCC1(O)CN(C(=O)c2c[nH]c(C#N)c2)C1 1042876685 GZDUWUAMXSXRNI-GFCCVEGCSA-N 320.349 -0.794 30 20 DBED CN(C(=O)c1ccc(OCC(N)=O)cc1)C1CN(CC#N)C1 1043267642 AAFICEHBIMTNRD-UHFFFAOYSA-N 302.334 -0.170 30 20 DBED C=CCN1CC[C@H](N2CC(N(C)C(=O)[C@H]3CCNC3=O)C2)C1=O 1043532981 HHQAFZRJCKZYCY-STQMWFEESA-N 320.393 -0.948 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)[C@@H]2CO[C@@H](C)C2)C1 1043626490 QXYZWAAYPUZKNS-STQMWFEESA-N 308.378 -0.240 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3nnn(C)c3C2)C1 1047504072 YYYAYYRPBZRXBC-UGFHNGPFSA-N 317.393 -0.943 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCN2C(=O)C2CC2)C1 1047554614 DQCDCDSUBJJPGK-KKUMJFAQSA-N 319.405 -0.476 30 20 DBED C=C[C@](C)(O)CC(=O)N(C)[C@H]1CN(C(=O)[C@H](C)OC)C[C@@H]1O 1048757674 LXAXLWFAHQCZEM-ASHKBJFXSA-N 314.382 -0.622 30 20 DBED C=C[C@](C)(O)CC(=O)N(C)[C@H]1CN(C(=O)C(F)F)C[C@@H]1O 1048761769 HRTPPPYLRWODPC-RVBZMBCESA-N 306.309 -0.391 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)[C@@H]1CCN(C(=O)CCOC)C1 1049683706 AFUDDHYKISBHOE-CHWSQXEVSA-N 323.393 -0.484 30 20 DBED C#CCOCCC(=O)N1CC[C@@H]([C@H](C)NC(=O)CC(=O)NC)C1 1050728682 MQTCTCRGJMNOPY-QWHCGFSZSA-N 323.393 -0.484 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)[C@H]1CCc2nc[nH]c2C1 1051200802 WGSUMAWHUMPJOG-QWHCGFSZSA-N 302.378 -0.035 30 20 DBED N#CCN1CCN([C@@H]2CCN(C(=O)c3csnn3)C2)CC1 1052057590 QDIYEVAOGARHHI-LLVKDONJSA-N 306.395 -0.106 30 20 DBED C#CCN1CCC[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)CC1 1052865904 RKZTYOYXGGIAJJ-NSHDSACASA-N 314.349 -0.365 30 20 DBED C=C(Cl)CN1CC2(C[C@@H](NC(=O)Cn3ncnn3)CO2)C1 1053803341 QABIHCBJNNNQGQ-SNVBAGLBSA-N 312.761 -0.615 30 20 DBED CN1C(=O)CC[C@@H]1C(=O)N1CC[C@@H](N=c2cc[nH]c(C#N)n2)C1 1056758557 OIHSEXDUKDCWRK-GHMZBOCLSA-N 314.349 -0.596 30 20 DBED CC(C)(C)C#CC(=O)NCCN(CCO)C(=O)[C@@H]1CCNC1=O 1058296729 PVHOVMQLAPHAMS-GFCCVEGCSA-N 323.393 -0.891 30 20 DBED Cn1nncc1C(=O)N1[C@H]2CC[C@H]1CN(c1nccnc1C#N)C2 1058752070 IQUHEBAAZINYKM-QWRGUYRKSA-N 324.348 -0.030 30 20 DBED N#Cc1nc(=N[C@H]2CCN(C(=O)c3nccnc3N)C2)cc[nH]1 1058863732 JNWHZMPRPZFJMB-VIFPVBQESA-N 310.321 -0.531 30 20 DBED C=CCO[C@H](C)C(=O)N[C@H]1CC[C@H](CNC(=O)C(N)=O)CC1 1060751532 QJWOJNNAEWRYER-IJLUTSLNSA-N 311.382 -0.146 30 20 DBED N#Cc1ccc(NC[C@H]2CCN(C(=O)[C@H]3CCC(=O)N3)C2)nn1 1060827022 MDHMVTWQHWMEJM-ZYHUDNBSSA-N 314.349 -0.113 30 20 DBED C=CCOCC(=O)N1CCOC[C@H]1CNC(=O)CCOC 1061160815 QDGGWBLVWFFCRM-GFCCVEGCSA-N 300.355 -0.431 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCOC[C@H]1CNC(=O)COC 1061202866 VUSWKWYZERUVRF-UPJWGTAASA-N 312.366 -0.433 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)CN1CCCC1 1061851025 DRDFEVZKCRBABG-QWHCGFSZSA-N 308.382 -0.415 30 20 DBED N#Cc1cnc(N2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CCNC2=O)cn1 1062556223 WENBVPBMUXAYQU-SDDRHHMPSA-N 312.333 -0.726 30 20 DBED Cc1cc(C#N)nc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)c2ncn(C)n2)n1 1064242865 ULDKVFXPVBSGBP-ADEWGFFLSA-N 324.348 -0.208 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(C(=O)CSC)CCO1 1064821024 JFZIJGMDYZLTSL-GFCCVEGCSA-N 314.407 -0.267 30 20 DBED C=CCCC(=O)N1CCO[C@@H](CNC(=O)[C@@H]2CCNC2=O)C1 1064959134 HGFBAWPCZNNHAH-NWDGAFQWSA-N 309.366 -0.568 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)[C@H](C)NC(N)=O)CCO1 1065083956 PJMFGQWLTPDUEC-QWRGUYRKSA-N 312.370 -0.647 30 20 DBED C=CCOCC(=O)N1CCC[C@@H](NC(=O)[C@H]2CCNC2=O)CC1 1066369264 NSCKYUIMFITSBJ-OLZOCXBDSA-N 323.393 -0.178 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H]1CN(C(=O)c2cnn[nH]2)CCO1 1066691309 PQVPMOTZONCJQN-NSHDSACASA-N 313.321 -0.554 30 20 DBED N#Cc1cccnc1N[C@@]1(CO)CCCN(C(=O)CC(N)=O)C1 1066893601 XYFUJOPVPJVZNY-HNNXBMFYSA-N 317.349 -0.406 30 20 DBED C=CCOCC(=O)N(C)CCCN(C)C(=O)c1nnn(C)n1 1067000539 KNJPJMCLOQYGSR-UHFFFAOYSA-N 310.358 -0.667 30 20 DBED N#Cc1cncc(N2C[C@H](O)[C@H](CNC(=O)c3cocn3)C2)n1 1067657312 ZTMXDDGDHQOCOX-SKDRFNHKSA-N 314.305 -0.437 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1COC2(C1)CN(C(=O)c1ccncn1)C2 1069002391 FILIUQXDFQPCOS-GHMZBOCLSA-N 315.333 -0.264 30 20 DBED CN1CCC[C@@H]1C(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1 1069902072 GPCHWJILWOXRCS-UPJWGTAASA-N 303.370 -0.763 30 20 DBED N#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 1069911543 WAFNAVHTHIIVMY-OLZOCXBDSA-N 310.321 -0.343 30 20 DBED C=CCN1CC[C@@H](N[C@@H]2CN(C(C)=O)C[C@@H]2n2ccnn2)C1=O 1070114877 KLFIUJYSMLCFHT-MCIONIFRSA-N 318.381 -0.574 30 20 DBED C=CC(C)(C)CC(=O)NCC1(NC(=O)C(N)=O)CCOCC1 1070228821 PFSCFKTYBZHRII-UHFFFAOYSA-N 311.382 -0.144 30 20 DBED C=C[C@@](C)(CC)C(=O)N1C[C@H](n2ccnn2)[C@H](NCC(N)=O)C1 1070265490 JSCHBJBSUSZJMJ-XUJVJEKNSA-N 320.397 -0.293 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CCCN(C(=O)CNC(C)=O)C1 1070371608 YVDBKNVSLFQJPC-DGCLKSJQSA-N 309.366 -0.732 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCC[C@@H](NC(=O)c2cnnn2C)C1 1070667589 KOBMYUQIBSHYMZ-IAQYHMDHSA-N 321.381 -0.137 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CCCN(C(=O)[C@H]2COC(=O)N2)C1 1070680253 IJPKNFPALQHVSW-VXGBXAGGSA-N 307.350 -0.139 30 20 DBED Cc1nnsc1C(=O)N1CCC(=O)NCCN(CC#N)CC1 1070937464 QYBYVFALWRMRSB-UHFFFAOYSA-N 322.394 -0.366 30 20 DBED C[C@H](C#N)C(=O)N1CCC(=O)NCCN(Cc2cnon2)CC1 1070948520 PVEBJLNCIDWHTQ-LLVKDONJSA-N 320.353 -0.620 30 20 DBED C#CCOCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)CC(=O)N(C)C)C1 1072097628 OZGCVNSSROEEJD-OLZOCXBDSA-N 323.393 -0.532 30 20 DBED C#CCN1CCC(C(=O)N[C@H]2CC[C@@H](C)N(CC(N)=O)C2)CC1 1072098788 FYRIOMZEHKIAQX-HIFRSBDPSA-N 320.437 -0.214 30 20 DBED CNC(=O)NCC(=O)N[C@@H]1CCN(C(=O)C#CC(C)C)C[C@@H]1C 1074010870 KZFPQHJWIZEKOC-QWHCGFSZSA-N 322.409 -0.072 30 20 DBED C=CCOCC(=O)N1CC[C@H](NC(=O)c2cnn(C)n2)[C@H](C)C1 1074057079 FVBCEOJMCZEBAV-NEPJUHHUSA-N 321.381 -0.016 30 20 DBED N#CCN1CCO[C@@H]2CCN(C(=O)c3cc(C(N)=O)c[nH]3)C[C@@H]21 1074369308 UGFDTCRBWNGQEW-QWHCGFSZSA-N 317.349 -0.448 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CCN(C(=O)c2cncn2C)CC1 1074634206 WXOGVMCEAAVEOG-NSHDSACASA-N 319.365 -0.337 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)CCN(C)C 1076217693 DJWJXYAQTJHYES-LBPRGKRZSA-N 310.398 -0.911 30 20 DBED CNS(=O)(=O)CC(=O)NCC[C@H](C)NC(=O)C#CC(C)C 1076623823 NKAUFYYYLABAQH-NSHDSACASA-N 317.411 -0.794 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)Cn2ccc(C(F)(F)F)n2)C1 1078139749 FSWISZXISYFYBR-NXEZZACHSA-N 316.283 -0.304 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)c2ccc(C(N)=O)nc2)C1 1078273477 SUAGVWJNALIEBT-ZIAGYGMSSA-N 318.377 -0.078 30 20 DBED Cn1nnc2cccc(C(=O)N[C@@H]3CN(CC#N)C[C@H]3O)c21 1078296191 ISBUYJZFLHBNDA-VXGBXAGGSA-N 300.322 -0.733 30 20 DBED C=CCN[C@@H]1C[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C12CCC2 1078628144 AZQOVTGFRHCKHJ-MNOVXSKESA-N 318.381 -0.420 30 20 DBED N#CCN[C@H]1C[C@H](NC(=O)CN2CCCNC2=O)C12CCC2 1078668739 QKNNZFVFOTUNAE-RYUDHWBXSA-N 305.382 -0.058 30 20 DBED CC#CCN1C[C@@H](NC(=O)c2cn(CCOC)nn2)[C@H](C)C1 1079686226 VXBNLKMBMNRXRR-CHWSQXEVSA-N 305.382 -0.002 30 20 DBED CC#CCN1C[C@@H](NC(=O)[C@H]2CC(=O)N(CCOC)C2)[C@H](C)C1 1079800125 NOAUDSMVRYLVCQ-QLFBSQMISA-N 321.421 -0.059 30 20 DBED CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)[C@@H]2CCCNC2=O)C1 1080417244 ZEODEPOTQGVAQR-CMPLNLGQSA-N 306.366 -0.268 30 20 DBED C=CCOCC(=O)N1CC(N(CC)C(=O)[C@@]2(C)CCNC2=O)C1 1080548820 KLLZWVRXVGKESD-INIZCTEOSA-N 323.393 -0.226 30 20 DBED C=CCOCC(=O)N1CCC(CO)(NC(=O)[C@H](C)OC)CC1 1080751568 OJKTZQIFAOQGQV-LBPRGKRZSA-N 314.382 -0.306 30 20 DBED C=CCOCC(=O)NC1(CO)CCN(C(=O)[C@H](C)OC)CC1 1080773150 JEZSTZUSCZLANL-LBPRGKRZSA-N 314.382 -0.306 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)Cc2nonc2C)C[C@H]1O 1081335672 NRSYMBSZTCFYQT-DGCLKSJQSA-N 322.365 -0.178 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CCc2nc[nH]n2)C1 1081388901 QJUUAOXIYSXPJO-NWDGAFQWSA-N 321.381 -0.361 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)c2nonc2C)C[C@H]1O 1081445148 RLHNPDNPTJJKTK-NWDGAFQWSA-N 320.349 -0.269 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@H](CNC(=O)CN2CCCC2)C1 1081499399 LHHNZMHQTUDCNF-CABCVRRESA-N 321.421 -0.179 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@H]1CCc2nnc(C)n2C1 1082382545 JPLHYWSWTWFXNA-YNEHKIRRSA-N 318.381 -0.512 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@@H](Cn2cccn2)N(C)C)C[C@H]1C 1082558588 YMYPWOHEKAWINQ-RBSFLKMASA-N 303.410 -0.117 30 20 DBED C[C@H](O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cc(C#N)c[nH]1 1083040442 MSWULXTVLVNFHI-LEWSCRJBSA-N 304.350 -0.208 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cnn2c1OCCC2 1083130720 GXUKOBVYORBQPA-QWHCGFSZSA-N 317.349 -0.286 30 20 DBED C=CCN1CC[C@@H](N[C@H]2C[C@@H](CNC(=O)c3cnon3)C2)C1=O 1086229753 CHKHYIKGUCTRJE-GRYCIOLGSA-N 319.365 -0.046 30 20 DBED N#CCN1C[C@@H](NC(=O)[C@H]2CCNC2=O)CC2(CCOCC2)C1 1089947623 LPJNNKROVPDNLA-STQMWFEESA-N 320.393 -0.367 30 20 DBED N#CCN1CC[C@H](NC(=O)c2cc3n(n2)CCCO3)[C@@H](O)C1 1090425734 SDPVVUQIRZCPLR-JQWIXIFHSA-N 305.338 -0.646 30 20 DBED Cc1cn2ccnc(C(=O)N[C@@H]3CCN(CC#N)C[C@@H]3O)c2n1 1090706936 MFFOBQACYHXENO-NEPJUHHUSA-N 314.349 -0.274 30 20 DBED C#CCCN1CC[C@@H](NC(=O)C2CCN(C(C)=O)CC2)[C@@H](O)C1 1090797062 SZBRJIWAMDSIIZ-CVEARBPZSA-N 321.421 -0.180 30 20 DBED Cc1noc2ncnc(N3C[C@H](O)[C@H](NC(=O)[C@H](C)C#N)C3)c12 1091082303 CLQZZLQTWYNZIF-QNSHHTMESA-N 316.321 -0.248 30 20 DBED CN(C)CCC(=O)N[C@@H]1CCN(c2ncccc2C#N)C[C@@H]1O 1092173278 KJGFQJHZKKJZKG-KGLIPLIRSA-N 317.393 -0.039 30 20 DBED C#CCN1C[C@@H]2CN(C(=O)[C@H]3COCCN3C(C)=O)C[C@]2(C)C1 1092287746 JCKFZGCFZSOOPC-INMHGKMJSA-N 319.405 -0.353 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)[C@@H]3COCCO3)c3nccn32)C1 1092343875 LROLSKFSHRHFKU-RYUDHWBXSA-N 317.349 -0.606 30 20 DBED N#Cc1nccc(N2C[C@@H]3C(NC(=O)CCc4nc[nH]n4)[C@H]3C2)n1 1093240236 SOPMGWKCILGGNF-UWVGGRQHSA-N 324.348 -0.350 30 20 DBED C=CCN1CC(n2cc(CNC(=O)[C@H]3CCCC(=O)N3)nn2)C1 1094298734 ZAYOFDIQWWVNAN-CYBMUJFWSA-N 318.381 -0.394 30 20 DBED COc1nc(C(=O)NCc2cn(C3CN(CC#N)C3)nn2)co1 1094307764 SDAPNNGXJKDTGO-UHFFFAOYSA-N 317.309 -0.415 30 20 DBED Cc1cnc(C(=O)N[C@@H]2CC(=O)N(C3CN(CC#N)C3)C2)cn1 1094698750 JYDLFMQDSPSHKM-LLVKDONJSA-N 314.349 -0.677 30 20 DBED CC#CCN1CC(N2C[C@@H](NC(=O)c3cn(C)cn3)CC2=O)C1 1094721739 JPHXISSDWDCEFA-LBPRGKRZSA-N 315.377 -0.542 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)c3n[nH]c(C)c3O)CC2=O)C1 1094721848 MBOWTEJKLCVLDO-JTQLQIEISA-N 317.349 -0.928 30 20 DBED C=CCCN1CC(N2C[C@H](NC(=O)[C@@H]3COC(=O)N3)CC2=O)C1 1094730121 SHKMPVWCDHWRID-PWSUYJOCSA-N 322.365 -0.928 30 20 DBED CN(CCCNC(=O)[C@@H]1COC(=O)N1)c1ccnc(C#N)n1 1095546905 KQYPRVHMPFKRAQ-VIFPVBQESA-N 304.310 -0.601 30 20 DBED CCN(CCCNC(=O)[C@H]1CCC(=O)N1)c1nccnc1C#N 1095847274 LEPHAIMBEGIFCH-LLVKDONJSA-N 316.365 -0.041 30 20 DBED CN(C(=O)CNC(N)=O)C1CCN(c2nccnc2C#N)CC1 1096093224 VLOGXIVTDRMECP-UHFFFAOYSA-N 317.353 -0.556 30 20 DBED CC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C1CC(=O)NC(=O)C1 1096165833 SNSVVFBDHKAYFP-AGIUHOORSA-N 303.362 -0.216 30 20 DBED C[C@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)Nc1ccc(C#N)cn1 1098264738 QMFYLDUSKARIPN-ADEWGFFLSA-N 317.349 -0.097 30 20 DBED C=CCN(CCO)C1CCN(C(=O)c2cc(=O)n(C)cn2)CC1 1098396000 KJSDXRFFNLYWLL-UHFFFAOYSA-N 320.393 -0.135 30 20 DBED C#CCCN(CCO)C1CCN(C(=O)[C@@H]2CC[C@@H]2C(N)=O)CC1 1098447387 JNOSCBHXUVZRFK-LSDHHAIUSA-N 321.421 -0.194 30 20 DBED CC#CCN(CCO)C1CCN(C(=O)CCCC(N)=O)CC1 1098582148 LXZRJVWMTCEFBM-UHFFFAOYSA-N 309.410 -0.049 30 20 DBED C#CCNC(=O)[C@@H](C)NCc1cn([C@@H]2CCN(C(C)=O)C2)nn1 1098592856 ZAIJXYXSDKSXDW-BXUZGUMPSA-N 318.381 -0.701 30 20 DBED C[C@H](CCNC(=O)Cn1cnnn1)N=c1cc[nH]cc1C#N 1098817299 IYAMDTOPGBJNGR-SNVBAGLBSA-N 300.326 -0.631 30 20 DBED N#CCSCC(=O)N1C[C@H]2CC[C@H]1[C@H]1CN(CC(N)=O)C[C@@H]21 1099425238 OTOJEIRZQAOGEA-VOAKCMCISA-N 322.434 -0.103 30 20 DBED C[C@H](CCNC(=O)C[C@@H]1CCNC1=O)N=c1cc[nH]c(C#N)n1 1099559358 WAFCICQZLSDHHI-MNOVXSKESA-N 316.365 -0.397 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)COCCOC)[C@H](O)C1 1099747044 SDVNFJRDDVEWIP-UONOGXRCSA-N 316.398 -0.597 30 20 DBED CC#CCN1CC[C@H](NC(=O)COc2cnn(C)c2)[C@@H](O)C1 1099972595 ZCFRMIOZUZTBLW-KBPBESRZSA-N 306.366 -0.626 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)c2cn(C)c(O)n2)[C@H](O)C1 1099994212 MQSUBFPUOGKHPG-DGCLKSJQSA-N 324.381 -0.507 30 20 DBED C[C@@H](CC(N)=O)C(=O)NC[C@@H]1CCCN1c1nccnc1C#N 1100887065 SVSUUUIMKWCJCL-QWRGUYRKSA-N 316.365 -0.055 30 20 DBED CC(C)[C@@H](CNC(=O)Cn1cnnn1)Nc1cnc(C#N)cn1 1105106242 PBNJCIVZZMFQEL-LLVKDONJSA-N 315.341 -0.412 30 20 DBED CCO[C@H]1C[C@H]1C(=O)N1CC(n2cc(CNCC#N)nn2)C1 1105172057 YSALDUZASJEIEY-OLZOCXBDSA-N 304.354 -0.300 30 20 DBED C#CCOCCC(=O)N1CC(n2cc(CNCC#CC)nn2)C1 1105240378 KUADXVWLFSMHGL-UHFFFAOYSA-N 315.377 -0.186 30 20 DBED CN(CCN(C)c1cncc(C#N)n1)C(=O)c1ncn(C)n1 1105385251 YVWUIIMMSQASMC-UHFFFAOYSA-N 300.326 -0.315 30 20 DBED CN(CCN(C)c1ccc(C#N)nc1)C(=O)[C@@H]1COC(=O)N1 1105393437 WNVAVGFZEFHNBY-LBPRGKRZSA-N 303.322 -0.044 30 20 DBED CN1CC[C@H](C(=O)NC[C@@H](O)CNc2nccnc2C#N)C1 1105852898 BTFOCPNZVFLWMK-QWRGUYRKSA-N 304.354 -0.811 30 20 DBED COCCO[C@@H](C)C(=O)NC[C@H](O)CNc1ncccc1C#N 1105961841 AZKDULLKVADLSU-WCQYABFASA-N 322.365 -0.106 30 20 DBED Cc1nnccc1C(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1 1106173644 ZKBUHWXUMQIWMN-SNVBAGLBSA-N 313.321 -0.929 30 20 DBED C[C@H](CCNc1cncc(C#N)n1)NC(=O)CCNC(N)=O 1106328616 PFDPOHXYHNRHQT-SECBINFHSA-N 305.342 -0.287 30 20 DBED C[C@H](CCNc1cnc(C#N)cn1)NC(=O)c1nnn(C)n1 1106520743 NHOZRCYQOXIZRG-MRVPVSSYSA-N 301.314 -0.508 30 20 DBED CN1CCO[C@H](C(=O)NC/C=C/CNc2ccc(C#N)nn2)C1 1107093047 BAZPOTMQCMRWJW-IBUXWKBASA-N 316.365 -0.237 30 20 DBED CC#CCCCC(=O)NCc1cn(C2CN(CC(N)=O)C2)nn1 1107198089 RSVOMSMWGUJSQB-UHFFFAOYSA-N 318.381 -0.570 30 20 DBED C[C@]1(C(=O)NC/C=C/CNc2ccc(C#N)nn2)CNC(=O)C1 1107421442 FNVGQFLXJFOZGJ-XYBNCVKDSA-N 314.349 -0.041 30 20 DBED C#CCNC(=O)CN1CCO[C@@](C)(CNC(=O)[C@H]2CCCO2)C1 1107720942 SNRANMQOHMSNEI-CJNGLKHVSA-N 323.393 -0.878 30 20 DBED CC#CCN1CCO[C@@](C)(CNC(=O)[C@@H]2CCCNC2=O)C1 1108010645 YNFMDFLCBJSWGD-CJNGLKHVSA-N 307.394 -0.257 30 20 DBED COCC#CCN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1nccn1)C2 1108693453 IBUMEPAWTYBWQG-KKUMJFAQSA-N 317.393 -0.103 30 20 DBED C[C@@H](CNc1ncccc1C#N)NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 1108706969 SBBWIBGLDPOEAU-ZMLRMANQSA-N 317.349 -0.097 30 20 DBED C[C@@H](CN(C)c1cnc(C#N)cn1)NC(=O)CS(C)(=O)=O 1108837058 KRZJYGQIPLLTIH-VIFPVBQESA-N 311.367 -0.666 30 20 DBED CC(C)C#CC(=O)N[C@H]1[C@H]2C[C@H]1N(c1nccn3nnnc13)C2 1109705545 GQAHTAYNLBAVFT-LOWVWBTDSA-N 311.349 -0.128 30 20 DBED CN(C)C(=O)CC(=O)N[C@@H](CN=c1cc[nH]c(C#N)n1)C1CC1 1109992539 FLLVSNMQUPRKGK-NSHDSACASA-N 316.365 -0.445 30 20 DBED C[C@@]1(NC(=O)CNC(N)=O)CCN(c2cnc(C#N)cn2)C1 1110708542 FIXKIKCOCRKNIE-CYBMUJFWSA-N 303.326 -0.898 30 20 DBED COC[C@H](C)C(=O)NC[C@]1(O)CCN(c2cnc(C#N)cn2)C1 1111043721 LQIFXBPRPJEMJT-XHDPSFHLSA-N 319.365 -0.312 30 20 DBED CO[C@@H](C)CC(=O)NC[C@]1(O)CCN(c2ccc(C#N)nn2)C1 1111045024 ALGTYMBRDVKPDQ-XHDPSFHLSA-N 319.365 -0.169 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@]1(O)CCN(c2ncccn2)C1 1111063720 CLFLATMARCQVFY-CABCVRRESA-N 306.366 -0.139 30 20 DBED CC(=O)N[C@H](C)C(=O)N(CCO)CCNc1ncccc1C#N 1111414137 XKSBENLPTRADLG-LLVKDONJSA-N 319.365 -0.289 30 20 DBED COCCCC(=O)N(CCO)CCN=c1cc[nH]c(C#N)n1 1111444057 JKKDXCCPFLGYPL-UHFFFAOYSA-N 307.354 -0.570 30 20 DBED N#Cc1nccnc1NCCN(CCO)C(=O)CC1(O)CCC1 1111471682 KGPBAGVFTWGVNS-UHFFFAOYSA-N 319.365 -0.114 30 20 DBED C#CCNC(=O)CN1CCC2(CC1)CN(C(C)=O)C[C@H](C)O2 1111532413 XEGLPVILENWONT-ZDUSSCGKSA-N 307.394 -0.162 30 20 DBED C=CCOCCCC(=O)N1CCN([C@@H]2CCC(=O)NC2=O)CC1 1112755668 LFJAAYHRMZVNRZ-CYBMUJFWSA-N 323.393 -0.081 30 20 DBED C#CCNC(=O)CC(=O)N1CCN(Cc2cn(C)nc2C)CC1 1112774486 ZEBWTNUQUQEGLF-UHFFFAOYSA-N 317.393 -0.488 30 20 DBED C#CCNC(=O)CC(=O)N1CCN([C@H](C)C(=O)NCCC)CC1 1112779339 WFONAKXBAHADFP-CYBMUJFWSA-N 322.409 -0.815 30 20 DBED COCc1ccc(C(=O)N2CCN(CC(=O)NCC#N)CC2)o1 1113082549 GEGUUCZMHJXZDL-UHFFFAOYSA-N 320.349 -0.176 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)Cn2nccc2C)CC1 1113390634 MAOIJDKTBLCWDO-CQSZACIVSA-N 317.393 -0.526 30 20 DBED C=C[C@](C)(O)CC(=O)NC1[C@H]2CN(CCN3CCNC3=O)C[C@H]12 1114193599 DCDMREXWWCYSQI-MKBNYLNASA-N 322.409 -0.615 30 20 DBED C=CCCN1C[C@H]2C(NC(=O)[C@@H](CCC(N)=O)NC(C)=O)[C@@H]2C1 1114978321 SGXVABPBEVEMDA-JHJVBQTASA-N 322.409 -0.621 30 20 DBED C#CCN1C[C@@H]2C(NC(=O)CC(=O)NCC(F)(F)F)[C@H]2C1 1115046405 LTYRLZCVLUQUAJ-IUCAKERBSA-N 303.284 -0.265 30 20 DBED COCC#CCN1C[C@@H]2C(NC(=O)Cc3nonc3C)[C@H]2C1 1115049872 NPXNFNOXRPEZFA-RYUDHWBXSA-N 304.350 -0.383 30 20 DBED N#Cc1cnc(NCCCOCCNC(=O)CC(N)=O)c(F)c1 1115395671 MZIWJPFPDUAYBN-UHFFFAOYSA-N 323.328 -0.097 30 20 DBED N#CC1CCN(C(=O)C(=O)NCc2nnc3n2CCCC3)CC1 1117081141 IJAJMBCBTMHZEV-UHFFFAOYSA-N 316.365 -0.007 30 20 DBED Cc1nonc1C(=O)NC[C@H](CO)Nc1ncc(C#N)cc1F 1121734459 NAWGMKSMUKRVPI-SECBINFHSA-N 320.284 -0.013 30 20 DBED Cc1nc(N[C@@H](CO)CNC(=O)c2cnon2)ccc1C#N 1121883235 YRKPZCSLYPBVBW-SNVBAGLBSA-N 302.294 -0.153 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H](CO)CNC(=O)Cc1cnc[nH]1 1122620290 DFEGVHWRFGWAQI-GFCCVEGCSA-N 300.322 -0.770 30 20 DBED CN1C[C@@H](C(=O)NC[C@@H](CO)Nc2ncccc2C#N)CC1=O 1122718112 LPONNPVRZABXPY-RYUDHWBXSA-N 317.349 -0.679 30 20 DBED CC[C@H](C(=O)N(C)C[C@@H](O)CN=c1cc[nH]c(C#N)n1)N(C)C 1124454774 LWFOHEYSIYHNIS-NWDGAFQWSA-N 320.397 -0.658 30 20 DBED CN(C)CCC(=O)N(C)C[C@H](O)CNc1cncc(C#N)n1 1124708915 JZRLXJVUWYLVIB-GFCCVEGCSA-N 306.370 -0.469 30 20 DBED CN(C[C@H](O)CNc1cncc(C#N)n1)C(=O)c1ccnnc1 1124751712 AMLIKWXXVQYEQS-GFCCVEGCSA-N 313.321 -0.317 30 20 DBED CN(C[C@H](O)CN(C)c1ccnc(C#N)n1)C(=O)c1nc[nH]n1 1125140004 STYGPOOYOIKKQQ-SECBINFHSA-N 316.325 -0.964 30 20 DBED N#Cc1ccc(C(=O)NCCNCC(=O)Nc2nncs2)[nH]1 1125776065 GEZLHWWDDSCPFV-UHFFFAOYSA-N 319.350 -0.304 30 20 DBED C=C(C)CN1CCn2ncc(CNC(=O)CNC(N)=O)c2C1 1128187833 WKVBJLFPHSXTHH-UHFFFAOYSA-N 306.370 -0.441 30 20 DBED CNC(=O)NC(=O)CN1C[C@@H](NC(=O)C#CC2CC2)CC[C@H]1C 1132047448 XKBHFQNOXVBGDL-YPMHNXCESA-N 320.393 -0.176 30 20 DBED C=C(Cl)CNCCNC(=O)c1nc(C)n(-c2nc[nH]n2)n1 1132108576 LMHRQOMSUDVEOB-UHFFFAOYSA-N 310.749 -0.234 30 20 DBED C#CCOCCC(=O)N1CC[C@H](C)[C@H](CNCC(=O)NC)C1 1132827087 COQAGKYUGXLBLL-UONOGXRCSA-N 309.410 -0.154 30 20 DBED O=C1C[C@@H](C(=O)NCCNCC#Cc2ccccc2)NC(=O)N1 1134460720 GOFWMUXGPMXRRJ-ZDUSSCGKSA-N 314.345 -0.658 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)CCc1cnccn1 1146737568 YMOVJVXWUCVXMM-GFCCVEGCSA-N 305.382 -0.194 30 20 DBED CC(C)(C)c1ocnc1C(=O)NCCNCC(=O)NCC#N 1147131230 KNAYMTLPXKFXKE-UHFFFAOYSA-N 307.354 -0.069 30 20 DBED C=C(C)CN1CCC2(C1)CN(C(=O)CNC(=O)CNC(C)=O)C2 1147799093 GNWNXRIOLGTQNO-UHFFFAOYSA-N 322.409 -0.651 30 20 DBED CCCNC(=O)CCCC(=O)NCCNCC(=O)NCC#N 1148243221 QIJSAIKKRSRCMQ-UHFFFAOYSA-N 311.386 -0.972 30 20 DBED C#Cc1ccc(C(=O)NCCNC[C@H](O)Cn2cccn2)nc1 1148377538 ZFGBLBIIIYLKIB-AWEZNQCLSA-N 313.361 -0.360 30 20 DBED N#Cc1ccc(CNCCNC(=O)Cn2c(O)nnc2O)cc1 1149161494 VUYRLLYBIDBYBQ-UHFFFAOYSA-N 316.321 -0.533 30 20 DBED C#CCCN1CCCO[C@@H](CNC(=O)CCn2ccnn2)C1 1149614460 FAQZDHIFXQDZDC-AWEZNQCLSA-N 305.382 -0.101 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(CCOCCO)CCCO1 1149694627 QRAAQQHRFOSSRS-OAHLLOKOSA-N 310.394 -0.384 30 20 DBED C=CCCOCC(=O)NC[C@@H]1CN(CC(=O)NC)CCCO1 1150803224 OKPQRCSMGXDNLO-CYBMUJFWSA-N 313.398 -0.468 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@H](CC)N1CCCC1=O 1151535807 ZXHZARBNUSSDDF-STQMWFEESA-N 322.409 -0.769 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1cnc(COC)s1 1153778510 DSHNDTADAUSMTO-JTQLQIEISA-N 324.406 -0.253 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)[C@@H](COC)OC 1155105625 SPGHFMAXQYKJPU-CHWSQXEVSA-N 313.398 -0.776 30 20 DBED C#CCNC(=O)CC(=O)NCCCN[C@@H](C)C(=O)N(CC)CC 1156857281 KYJRUFVWABDPJR-ZDUSSCGKSA-N 324.425 -0.521 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)CCn2ccnn2)C1=O 1157122644 MKHDBWLGDUOZNP-CYBMUJFWSA-N 320.397 -0.449 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)NCCCNC(=O)c1ncc[nH]1 1157633554 YBKIWDCSZPIUKE-SNVBAGLBSA-N 322.369 -0.481 30 20 DBED C=CCOCCNCCCNC(=O)CN1CCN(C)C(=O)C1 1161401598 FGUJQLPWVLELKY-UHFFFAOYSA-N 312.414 -0.941 30 20 DBED CN(C)S(=O)(=O)CC(=O)NCCC1=CCN(CC#N)CC1 1161796444 IFAPDBIPUTXFGC-UHFFFAOYSA-N 314.411 -0.460 30 20 DBED C=CCNC(=O)CNCCCC[C@@H](C)NC(=O)CC(=O)NC 1170363316 LHRDHEJAXOLJKP-GFCCVEGCSA-N 312.414 -0.311 30 20 DBED CC(=O)NC(C)(C)C(=O)N1CC[C@@H]2OCCN(CC#N)[C@@H]2C1 1177106821 IHKDWXMXGGKJTE-OLZOCXBDSA-N 308.382 -0.274 30 20 DBED C#CCNC[C@@H]1C[C@H]2CC[C@H]1N(C(=O)CN1CCOCC1=O)C2 1177792584 KTTGHGBMFDBUOS-QLFBSQMISA-N 319.405 -0.305 30 20 DBED COCC[C@@H](C)C(=O)N1CC[C@H](NCC(=O)NCC#N)[C@@H]1C 1180175048 VLPHRZKNHFVKNC-AGIUHOORSA-N 310.398 -0.122 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2cnc(C)[nH]2)C1 1181638629 OJUDVXIBIBFTHE-CMPLNLGQSA-N 303.366 -0.340 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)[C@H]2CN(C(C)C)CCO2)C1 1185136972 NSMHTPNMTOPPGB-HZPDHXFCSA-N 323.437 -0.064 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)[C@]2(C)CCC(=O)N2)C1 1185476871 DYFQSDRKPROSPB-HSMVNMDESA-N 322.409 -0.464 30 20 DBED CCNC(=O)CC(=O)N1C[C@H](CNCC#N)C2(CCOCC2)C1 1186355713 CIIMOIQFRILLGZ-ZDUSSCGKSA-N 322.409 -0.119 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](CNCC(N)=O)C2(CCOCC2)C1 1186381988 NIZXQJCFXWJZDJ-CQSZACIVSA-N 321.421 -0.024 30 20 DBED CC(C)OCC(=O)N1CC[C@H]2CN(CC(=O)NCC#N)C[C@H]21 1187124842 QGNXFGKWQDPPLK-QWHCGFSZSA-N 308.382 -0.416 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)CNC(=O)C2CCC2)C1 1188118268 QYIFVNVMUURNQE-CQSZACIVSA-N 307.394 -0.257 30 20 DBED N#CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3ccsn3)[C@@H]2C1 1188298647 FWDFNXKRLXZRHV-CMPLNLGQSA-N 319.390 -0.071 30 20 DBED COCC#CCN(C)[C@H]1CCN(C(=O)[C@@H]2CN(C)CCO2)C1 1189516622 JNJXXUSVWSKHSG-GJZGRUSLSA-N 309.410 -0.501 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2coc(OC)n2)C1 1191561645 QKSYIWYUQFVAMU-NSHDSACASA-N 320.349 -0.421 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)[C@@H]2CCN(C)C2=O)C1 1191840081 SXBDHIIREGPYNA-CHWSQXEVSA-N 322.409 -0.700 30 20 DBED C=C(Br)CN1C[C@@H](O)[C@H](NC(=O)CC(=O)NC)C1 1192429954 UWIGBTVYRAVQCH-RKDXNWHRSA-N 320.187 -0.808 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)[C@H](Cn2cccn2)N(C)C)C1 1193737864 IOEUZJOIUTXPLA-HZSPNIEDSA-N 307.398 -0.839 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)C23CCCN2CCC3)C1 1194399824 UUZAOCNEPLZLPA-HUUCEWRRSA-N 321.421 -0.574 30 20 DBED C#CCNC(=O)[C@H](C)N1CCCN(C(=O)c2cnccn2)CC1 1194689589 KUWIHNQOVOEWAB-ZDUSSCGKSA-N 315.377 -0.238 30 20 DBED C#CCNC(=O)CC(=O)N1CCCN(CC(=O)NC(C)C)CC1 1195535147 JSNITLDIHNUDRO-UHFFFAOYSA-N 322.409 -0.815 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCCN(C(=O)c2ncc[nH]2)CC1 1195747399 POHPHMFSPVFELE-GFCCVEGCSA-N 303.366 -0.305 30 20 DBED C=C(Cl)CN1CCCN(C(=O)CS(=O)(=O)NC)CC1 1198129734 WALISRXNXOZOFA-UHFFFAOYSA-N 309.819 -0.178 30 20 DBED CC(C)C#CC(=O)N1CCCO[C@@H](CNCc2nc(O)n[nH]2)C1 1200469134 DBPOTKLJDDYEPR-LBPRGKRZSA-N 321.381 -0.123 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCCO[C@@H](CNCc2cnon2)C1 1200478586 KEORNEYIKQHSFO-JSGCOSHPSA-N 322.365 -0.185 30 20 DBED COCC#CCNC[C@H]1CN(C(=O)c2cnn(C)n2)CCCO1 1201630261 VFFZUEROUPRAAV-ZDUSSCGKSA-N 321.381 -0.714 30 20 DBED CC#CCN[C@@H]1C[C@@H](NC(=O)CN2CC(=O)NC2=O)C12CCC2 1203508252 WZTMCCUSYNUBGN-VXGBXAGGSA-N 318.377 -0.422 30 20 DBED COCC#CCNCC1CCN(C(=O)[C@H](C)CC(N)=O)CC1 1205873463 RWALFZGSKVSKMB-CYBMUJFWSA-N 309.410 -0.024 30 20 DBED C#CCNCC1CCN(C(=O)C2CC3(C2)NC(=O)NC3=O)CC1 1206562354 XBQFINLCRJMMIJ-UHFFFAOYSA-N 318.377 -0.564 30 20 DBED Cn1cc(CC(=O)N2CCC[C@@H](NCC(=O)NCC#N)C2)cn1 1207623782 YBKKEGWLOGQBMB-CYBMUJFWSA-N 318.381 -0.817 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 1209641342 ISMLRFXCGMQFBW-GJZGRUSLSA-N 320.437 -0.342 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)[C@@H](C)COC)[C@H](OC)C1 1212011296 BCCIGDAMPYHCQP-YNEHKIRRSA-N 313.398 -0.614 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CCC(=O)NCC 1217499002 RTJCVXJYEVGIKY-UONOGXRCSA-N 307.394 -0.162 30 20 DBED C=CCOCCCC(=O)N[C@@H]1CN(CCn2cncn2)C[C@@H]1O 1219426910 TUYFPISYRGPRAC-KGLIPLIRSA-N 323.397 -0.578 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)c2ccnn2C(C)C)C1 1219691578 LLUDNBQHYMNXIM-HIFRSBDPSA-N 320.393 -0.111 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)[C@H](OC)C(C)C)[C@@H]2C1 1221790363 LUZQFBAIZVFDKK-IIAWOOMASA-N 321.421 -0.061 30 20 DBED C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H]1CCCC[C@H]1NCC#N 1228791806 OPZQDNCLMPFMAO-GMTAPVOTSA-N 302.400 -0.535 30 20 DBED Cn1cncc1CC(=O)NC1CCN(CC(=O)NCC#N)CC1 1230033816 CLFJOZMAYOONCM-UHFFFAOYSA-N 318.381 -0.817 30 20 DBED C#CCN(CCCNC(=O)Cn1cnnn1)Cc1cccnc1 1230667750 HCYPZACXMQKOQF-UHFFFAOYSA-N 313.365 -0.290 30 20 DBED C[C@H](C#N)C(=O)N(C)C[C@H]1CCN1CC(=O)N1CCOCC1 1231247101 KWOGLIFZQKTLKL-CHWSQXEVSA-N 308.382 -0.462 30 20 DBED N#C[C@H](C(=O)C1CC(F)(F)C1)C(=O)N1CCS(=O)(=O)CC1 1263291133 NIJCVAWAJVBHDA-SECBINFHSA-N 320.317 -0.002 30 20 DBED C#CCSCCNC(=O)C(=O)N[C@@H](C)CS(=O)(=O)CC 1322828806 QOPDMLIWBGBQAO-JTQLQIEISA-N 320.436 -0.592 30 20 DBED C=C[C@H](COC)NC(=O)N1CC[C@H](S(=O)(=O)NCC)C1 1324015913 SCFBKBZNXLZCHP-MNOVXSKESA-N 305.400 -0.089 30 20 DBED C#CCNS(=O)(=O)N1CCN([C@@H](C)c2nnc(C)o2)CC1 1324515447 CJTZQBHVOZXOLS-JTQLQIEISA-N 313.383 -0.476 30 20 DBED C=CCCOCCNC(=O)C(=O)N1CC[C@H](n2cncn2)C1 1325301096 OMSFTHQRFFPCHF-LBPRGKRZSA-N 307.354 -0.240 30 20 DBED C=CCn1cc(CNC(=O)C(=O)NCCN(CC)CC)nn1 1325910127 HLPOTNDCBRMOOI-UHFFFAOYSA-N 308.386 -0.462 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)NCc1cnn(CCOC)c1 1327227389 NNGHJVSYQAWYPG-LBPRGKRZSA-N 310.354 -0.537 30 20 DBED C#CCSCCNC(=O)C(=O)NC[C@@H]1CC(=O)N(CC)C1 1328929499 KVMJKIOBVAFXLA-NSHDSACASA-N 311.407 -0.546 30 20 DBED C#CCNC(=O)[C@@H](C)n1cnc2nc(C)c(CCO)c(=O)n21 1328991369 UYHSLKRJEPJAMB-SNVBAGLBSA-N 303.322 -0.955 30 20 DBED CC[C@@H](C#N)C(=O)NCCNS(=O)(=O)Cc1ccon1 1329648238 PGHWSUDVTOTQOF-VIFPVBQESA-N 300.340 -0.240 30 20 DBED N#CC1(NC(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)CC1 1329698319 NWOGLMOQUKKJGF-IQIPOGNMSA-N 303.318 -0.289 30 20 DBED CC1(C)OC[C@H](CNC(=O)C(=O)N2CCN(CCC#N)CC2)O1 1330221970 NORKAYGQZWXKLJ-LBPRGKRZSA-N 324.381 -0.688 30 20 DBED CN(CCOCCC#N)CC(=O)N[C@@H]1CCS(=O)(=O)C1 1330332848 BHGYMABFDLTHDG-LLVKDONJSA-N 303.384 -0.848 30 20 DBED O=C(NCCN1C(=O)CNC1=O)c1cccc(C#CCO)c1 1332394324 SZSGMNYYFWKAMF-UHFFFAOYSA-N 301.302 -0.688 30 20 DBED C#C[C@@H](NC(=O)C(=O)N[C@@H]1COCC[C@H]1OC)[C@@H]1CCCO1 1334906473 GGTIAPABBXYWRV-LPWJVIDDSA-N 310.350 -0.797 30 20 DBED C#CCN(C(=O)C(=O)N1CCC[C@H](CNC(N)=O)C1)C(C)C 1338205999 FLRXOXSANQMJKN-GFCCVEGCSA-N 308.382 -0.237 30 20 DBED COCCCNC(=O)[C@H](C#N)C(=O)c1ccc2nnc(O)n2c1 1341901583 BHFNOIVZHJXSSW-SNVBAGLBSA-N 317.305 -0.090 30 20 DBED C#CC1CCN(C(=O)C(=O)N2CCO[C@@H](CC(=O)OC)C2)CC1 1345966976 WMIPLNIWNMUFME-ZDUSSCGKSA-N 322.361 -0.351 30 20 DBED C=CCC1(O)CCN(C(=O)C(=O)N2CCO[C@H](C#N)C2)CC1 1352937983 MVVSMJOUPVAKJF-GFCCVEGCSA-N 307.350 -0.333 30 20 DBED Cc1[nH]nc(NC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)c1C#N 1364041964 HFUFLTFZZIENJS-JTQLQIEISA-N 304.354 -0.062 30 20 DBED CNC(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)C[C@@H](C)C#N)C1 1365460671 OXRJDHWQWRWKSZ-WDEREUQCSA-N 317.415 -0.284 30 20 DBED COC(=O)CNC(=O)CNC(=O)Nc1ccn(CCC#N)n1 1365486294 OHVNZVZZTQGMJD-UHFFFAOYSA-N 308.298 -0.793 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@@H](C)CNC(=O)CCn1ncn(C)c1=O 1380833468 VGWYCYAHSKXAMT-QWRGUYRKSA-N 322.369 -0.905 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@@H](CNC(=O)CCn2cnnn2)C1 1384969242 OOEQIJDXKRYUDO-GARJFASQSA-N 305.342 -0.766 30 20 DBED CCNC(=O)CCC(=O)N(C)CCNC(=O)c1cc(C#N)c[nH]1 1386839339 LBBQVEANQAOCIM-UHFFFAOYSA-N 319.365 -0.009 30 20 DBED C[C@H](C#N)C(=O)NCC1CN(C(=O)C2CCN(C(N)=O)CC2)C1 1387930212 RXAPCTVGADGIIX-SNVBAGLBSA-N 321.381 -0.489 30 20 DBED CC(=O)N[C@@H](C)C(=O)N[C@H](C)CN(C)C(=O)c1cc(C#N)c[nH]1 1395555829 UEQZOWLYTDILTI-ZJUUUORDSA-N 319.365 -0.012 30 20 DBED CCN(CCNC(=O)[C@@H](C)C#N)C(=O)C[C@@H]1CCN(C)C1=O 1398132372 DXCZIFFKBKYTGJ-RYUDHWBXSA-N 308.382 -0.021 30 20 DBED C[C@H](C(N)=O)N1CCN(CCNC(=O)c2cc(C#N)c[nH]2)CC1 1402105859 TYUGHBXYCLNTQT-LLVKDONJSA-N 318.381 -0.892 30 20 DBED N#Cc1c[nH]c(C(=O)NC2(CNC(=O)Cc3nc[nH]n3)CC2)c1 1410823118 RDBPEWVTXRVCKK-UHFFFAOYSA-N 313.321 -0.374 30 20 DBED CN(C(=O)Cn1cc(C#N)c(O)nc1=O)[C@@H]1CCCC[C@H]1O 1412431110 KQBRYRFDDRDTTQ-GHMZBOCLSA-N 306.322 -0.418 30 20 DBED C[C@@H](CO)N(Cc1cc(O)n2ncc(C#N)c2n1)C[C@@H](C)O 1412978299 JCDGPZGMMOXXTN-VHSXEESVSA-N 305.338 -0.130 30 20 DBED N#Cc1ccc([C@H](C(N)=O)N2CCC(O)(C(N)=O)CC2)cc1 1412983504 PVZYYUNVAFJYLW-GFCCVEGCSA-N 302.334 -0.603 30 20 DBED CC[C@H](CNS(C)(=O)=O)NS(=O)(=O)CC1(C#N)CC1 1413357566 NLGGLVODPVQBGJ-SECBINFHSA-N 309.413 -0.463 30 20 DBED CC[C@@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)Cc1nc[nH]n1 1416198369 KYVQJVKFFZHNML-JTQLQIEISA-N 315.337 -0.128 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]1CNC(=O)CCN1CCCC1=O 1417026694 SAUCECJILISOAC-NEPJUHHUSA-N 306.366 -0.124 30 20 DBED C[C@@H](C#N)C(=O)NCCN1CCN(CCc2ccnn2C)CC1 1417919333 YNNIDKOBAOLZPY-AWEZNQCLSA-N 318.425 -0.144 30 20 DBED C=C(Cl)CNC[C@H](O)CN(C)C(=O)c1ccc(=O)n(C)n1 1442026200 BLHMKUNLWJBLMY-JTQLQIEISA-N 314.773 -0.445 30 20 DBED C[C@@H](CN(C)C(=O)c1cn(C)c(=O)nc1O)NC(=O)[C@@H](C)C#N 1443827979 SRTFAKMRCMQPLA-IUCAKERBSA-N 321.337 -0.778 30 20 DBED COCCN(CCNC(=O)C[C@@H]1CCC(=O)N1)C(=O)[C@@H](C)C#N 1444972232 FKJDLYVTPGQIBO-RYUDHWBXSA-N 324.381 -0.594 30 20 DBED Cn1c(=O)[nH]c(NC[C@@H](CO)CC2CCOCC2)c(C#N)c1=O 1458347601 SAPJZRVDTDSGOR-NSHDSACASA-N 322.365 -0.218 30 20 DBED N#Cc1c[nH]c(=O)n(CC(=O)NCc2ccc(F)cc2)c1=O 1459136938 JWKZFBHJJCRHRM-UHFFFAOYSA-N 302.265 -0.136 30 20 DBED C=C(Cl)CN(C)CCN(C)C(=O)c1cn(CC(N)=O)nn1 1482652594 ZOQMWWHUGCAAAP-UHFFFAOYSA-N 314.777 -0.480 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2CCN2C[C@H](O)COC)nn1 1483685655 YQVMFSRSOSFGPY-RYUDHWBXSA-N 309.370 -0.725 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H](O)CNCc2cnns2)c1 1496962829 XXXLVHIHRMJVHQ-SECBINFHSA-N 306.351 -0.382 30 20 DBED CC[C@@H](CNC(=O)[C@@H](C)C#N)N=c1cc[nH]c(-c2nn[nH]n2)n1 1576765299 AODXWNQNRMJJPN-IUCAKERBSA-N 315.341 -0.455 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)C2(C(=O)O)CC=CC2)CC1 1588431487 YYLMWFSYMDPIDS-UHFFFAOYSA-N 319.361 -0.699 30 20 DBED C=C[C@H](O)C(=O)O[C@@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 1588526233 SVGZMNGAQUQYFM-VHSXEESVSA-N 303.278 -0.517 30 20 DBED C[C@@](C#N)(CC(=O)O)C(=O)NC[C@@H]1CCCS(=O)(=O)C1 1588557739 LCKDHAOYONWDEA-CABZTGNLSA-N 302.352 -0.068 30 20 DBED CN1CCC(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[nH]2)CC1 1591178741 NKZOJPYGWANMOJ-UHFFFAOYSA-N 301.314 -0.258 30 20 DBED COc1cc(C=Nn2c(O)nnc2O)ccc1-c1nn[nH]n1 1591523221 RENOKOXZKNAGCS-UHFFFAOYSA-N 302.254 -0.240 30 20 DBED O=C(O)CNC(=O)Cc1ccc(NC(=O)NCC#CCO)cc1 1608753936 VRVZGNBOJVENSG-UHFFFAOYSA-N 319.317 -0.453 30 20 DBED C[C@@H](CC#N)N(C)CC(=O)NC1CCN(S(C)(=O)=O)CC1 1646127420 RMPZMUBORYQZLN-NSHDSACASA-N 316.427 -0.239 30 20 DBED COCCn1cc(C=c2sc(=C(C#N)C#N)n(C)c2=O)cn1 1647093367 KYRRUUGKBBZXAS-UHFFFAOYSA-N 315.358 -0.684 30 20 DBED Cn1cnn(CC(=O)[C@H](C#N)c2nnc3n2CCCCC3)c1=O 1649151507 HWUJFCLXEQHDRE-JTQLQIEISA-N 315.337 -0.224 30 20 DBED COc1nn(C)cc1C(=O)NCCN1CCN(CC#N)CC1 1752371030 PFUHFGWBZJLCNW-UHFFFAOYSA-N 306.370 -0.700 30 20 DBED N#CCN[C@H](CNC(=O)[C@H]1COCCN1CC(F)F)C1CC1 1752472433 IVHIMPLLLDPMKJ-VXGBXAGGSA-N 316.352 -0.040 30 20 DBED CCn1cc(C(=O)N[C@H]2C[C@@H](NCC(=O)NCC#N)C2)cn1 1752720675 XFPWSJFMRILPDK-TXEJJXNPSA-N 304.354 -0.607 30 20 DBED C#CCNC(=O)CN[C@H](C)CNC(=O)[C@@H]1CCc2nccn2C1 1752882229 QLTYJKTXHHXJRI-CHWSQXEVSA-N 317.393 -0.711 30 20 DBED C=CCNC(=O)CN1CC(NC(=O)c2cncc(COC)c2)C1 1753378343 FIEKXAIKOUUBEY-UHFFFAOYSA-N 318.377 -0.056 30 20 DBED COCC#CCN1CC(CNC(=O)[C@H]2CCCS2(=O)=O)C1 1753417322 MLNJTZKRKJEEQV-CYBMUJFWSA-N 314.407 -0.739 30 20 DBED C#CCN1CCC[C@@](CO)(NC(=O)c2ccnc3ccnn23)C1 1754856325 JGKHDYBNZYHTPK-MRXNPFEDSA-N 313.361 -0.081 30 20 DBED C=CCn1cc(C(=O)N[C@]2(CO)CCCN(CCO)C2)nn1 1754858673 GHSCCLQVFOCBQV-CQSZACIVSA-N 309.370 -0.987 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)c2cnn(C)c2)C[C@@H]1C 1755103812 SSDNUQQQPPIHME-WCQYABFASA-N 303.366 -0.780 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(CNC(=O)c3cccnc3)[C@H]2C1 1755432909 MXSUVGCSVRMWIR-HUUCEWRRSA-N 312.373 -0.261 30 20 DBED C=CCCOCC(=O)NC[C@H]1[C@@H]2CN([C@@H]3CCNC3=O)C[C@H]12 1755435203 BXVVWOXBFYKYFD-YIYPIFLZSA-N 307.394 -0.238 30 20 DBED C=CCOCC(=O)N[C@H]1CCCN(CC(=O)NCC#N)[C@@H]1C 1755714560 NCBYQIQUABHVFV-OLZOCXBDSA-N 308.382 -0.202 30 20 DBED C=C[C@@](C)(O)CC(=O)N(C)C[C@H](O)CNC(=O)c1ccc[nH]1 1756660663 KPFUMRLOTPEKSS-IAQYHMDHSA-N 309.366 -0.109 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)C[C@H](O)CNC(=O)C(C)C 1756670023 UKWCFQDSJFBATI-KGLIPLIRSA-N 309.410 -0.325 30 20 DBED C=CCCCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnnc(O)c2)C1 1757007991 XNDFKNBWUCAXRI-VXGBXAGGSA-N 320.349 -0.160 30 20 DBED C=C[C@@](C)(CCOC)C(=O)N[C@H]1CCN(C(=O)C(N)=O)[C@@H]1C 1757529504 HYINUPDNKAFCQE-ZETOZRRWSA-N 311.382 -0.194 30 20 DBED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ncnn3C)C[C@@H]21 1790790807 JQPCZTXOQYXGTA-SRVKXCTJSA-N 317.349 -0.958 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C)no1 1794781136 YXHMIDUDAKDBBV-GNXNZQSNSA-N 303.318 -0.181 30 20 DBED N#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCOC1)C2 1795421149 XXPKYYRVFNAEAW-XPCVCDNBSA-N 321.377 -0.084 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)N(C)CC)C2 1800455440 APRYZMVVMWHNKI-XPCVCDNBSA-N 307.394 -0.451 30 20 DBED C#CCCC(=O)N1CCCC12CN(C(=O)[C@@H]1CCC(=O)N1)C2 1846995667 DQVMICYKJWYPJU-LBPRGKRZSA-N 303.362 -0.118 30 20 DBED C[C@H](C(N)=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 16635002 ZIQIFUOTOKGFGA-LLVKDONJSA-N 322.390 -0.262 30 20 DBED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCNCC2)c1 37716262 YWOVMGWUYZLCGQ-UHFFFAOYSA-N 308.363 -0.732 30 20 DBED C[C@@](C#N)(NC(=O)CN1CCN(S(C)(=O)=O)CC1)C1CC1 52798029 NAYYAUOVLJBBNH-ZDUSSCGKSA-N 314.411 -0.628 30 20 DBED N#Cc1c(F)cccc1S(=O)(=O)N(CC(=O)O)CC(=O)O 70394041 UTRHCOATBDUURI-UHFFFAOYSA-N 316.266 -0.143 30 20 DBED C#CCN1CCN(C(=O)COc2ccc(C(N)=O)cc2)CC1 101694414 MMZQEIIYIQPRIW-UHFFFAOYSA-N 301.346 -0.058 30 20 DBED N#Cc1ccc(S(=O)(=O)N[C@H]2CC(=O)N(C3CC3)C2)cn1 175286339 YPNWHZXNBDXAHM-JTQLQIEISA-N 306.347 -0.005 30 20 DBED Cc1nc(C(=O)NCC2CN(S(C)(=O)=O)C2)ccc1C#N 187272509 KQFSPIBIJAKXGF-UHFFFAOYSA-N 308.363 -0.117 30 20 DBED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCNC(=O)[C@H]2C)CC1 245554528 HDQJVXAXWYOCQF-ZIAGYGMSSA-N 321.425 -0.501 30 20 DBED C/N=C(/NC[C@H]1CN2CCN1CC2)NC[C@@](C)(O)c1ccco1 261665309 GLWIVUDEXYNBGR-XJKSGUPXSA-N 321.425 -0.348 30 20 DBED CCn1c(=O)c(O)nc2cc(C(=O)NCC#CCO)ccc21 283190914 HWAZFRVXFQWHBS-UHFFFAOYSA-N 301.302 -0.153 30 20 DBED C[C@@H]1C(=O)N(C)S(=O)(=O)N1CC(=O)N[C@](C)(C#N)C1CC1 283201312 YJBJYZYKFVCLFZ-PRHODGIISA-N 314.367 -0.798 30 20 DBED CC[C@@H](C)NC(=O)CC/N=C(\NC)NCCN1CCOCC1 303883463 MDILWTWSFQIJCE-CYBMUJFWSA-N 313.446 -0.212 30 20 DBED C[C@H]1CS(=O)(=O)C[C@H]1N/C(O)=N/[C@@H]1CC(=O)N(C2CC2)C1 329606426 MMYQJFDLCZSYGX-IQJOONFLSA-N 315.395 -0.314 30 20 DBED C[C@H]1[C@@H](C)N(/C(O)=N/C[C@@H]2COCCO2)CCS1(=O)=O 329614496 RZALWEYKPYPQGU-OUAUKWLOSA-N 306.384 -0.177 30 20 DBED CNS(=O)(=O)c1cc(/C(O)=N/[C@H](C)C(=O)N(C)C)co1 330460175 QUFKQSQEHCCHPA-SSDOTTSWSA-N 303.340 -0.031 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(S(=O)(=O)NC(C)C)CC1 330494498 VBDGVVOSHLNYTQ-GFCCVEGCSA-N 318.443 -0.463 30 20 DBED N#CCNC(=O)CNC(=O)NCCNC(=O)c1ccc(F)cc1 344882380 KLGDHPBWHYRMDJ-UHFFFAOYSA-N 321.312 -0.506 30 20 DBED CC(C)[C@H]1CCN1S(=O)(=O)CCCS(=O)(=O)NCC#N 349465896 YRRGYDOORNETAN-LLVKDONJSA-N 323.440 -0.120 30 20 DBED N#CC1(NS(=O)(=O)CCCS(=O)(=O)NC2CCC2)CC1 349608880 YMGTXOXEANZSDH-UHFFFAOYSA-N 321.424 -0.176 30 20 DBED CCN(CC)C(=O)CN1CCN(S(=O)(=O)[C@H](C)C#N)CC1 352404507 BKOBEQLEDLTTPY-GFCCVEGCSA-N 316.427 -0.286 30 20 DBED CCOCc1cccc(NC(=O)C(=O)NCC(=O)NCC#N)c1 357307846 LJJKPHMTYZYBKZ-UHFFFAOYSA-N 318.333 -0.082 30 20 DBED CN1C(=O)CC[C@H](NC(=O)C(=O)Nc2cccc(C#N)c2)C1=O 425825545 KBEJXRRGYZPQEC-NSHDSACASA-N 314.301 -0.240 30 20 DBED N#Cc1ccc(NCC(=O)NC[C@@H](CO)[C@H]2CCOC2)nc1 435923448 OUWIZJGKJAGYEQ-STQMWFEESA-N 304.350 0.126 30 20 DBED N#C[C@@H]1CN(CC(=O)c2c(O)nc(=O)n(C3CC3)c2N)CCO1 436121936 BLYYAVHVKVYEPH-SECBINFHSA-N 319.321 -0.727 30 20 DBED C=C[C@H](C)NC(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1 446799087 JSMNMJIOUVVOMN-LBPRGKRZSA-N 321.381 -0.156 30 20 DBED CS(=O)(=O)c1ccc(C(N)=NOC[C@@H]2CNC(=O)O2)cc1 495719868 UBTCPQUCDVBRME-VIFPVBQESA-N 313.335 -0.165 30 20 DBED CNS(=O)(=O)[C@@H]1CCCN(S(=O)(=O)CC2(C#N)CC2)C1 545914396 UXZPBSQWNZBZKM-SNVBAGLBSA-N 321.424 -0.366 30 20 DBED N#Cc1cc(F)c(S(=O)(=O)N[C@H](CO)C(=O)O)c(F)c1 548532496 YMBBUVRPEVGEOM-MRVPVSSYSA-N 306.246 -0.440 30 20 DBED Cn1nnnc1N1CCC(NC(=O)c2ccc(C#N)cn2)CC1 553696203 NLOKULSVOZZQAF-UHFFFAOYSA-N 312.337 -0.124 30 20 DBED CN1CC[C@@]2(CCN(S(=O)(=O)N3CCO[C@H](C#N)C3)C2)C1 566597019 QFHQCFBEJGQJNA-CHWSQXEVSA-N 314.411 -0.517 30 20 DBED COC(=O)CCCc1nc(Cn2c(=O)[nH]cc(C#N)c2=O)no1 582904797 MSTUYVBMPLVHIR-UHFFFAOYSA-N 319.277 -0.665 30 20 DBED CC(C)[C@@H]1CN(C(=O)C(=O)NC2CCN(CC#N)CC2)CCO1 588125049 VADZJJZUVFGNRW-AWEZNQCLSA-N 322.409 -0.026 30 20 DBED C[C@@H](C#N)N(C(=O)[C@@H]1CCCN(S(N)(=O)=O)C1)C1CC1 598135620 ZLZALAWODFNTQV-VHSXEESVSA-N 300.384 -0.195 30 20 DBED N#CCN1CCC(NC(=O)NCCNC(=O)c2cc[nH]n2)CC1 611544498 IRLGSMAPVNKIFW-UHFFFAOYSA-N 319.369 -0.573 30 20 DBED C=C[C@@](C)(O)C(=O)N1CCN(Cc2nc(COC)no2)CC1 613773936 JQKYSIMGRDRJLW-CQSZACIVSA-N 310.354 -0.203 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)[C@@H](C)NS(=O)(=O)CC)C1=O 614395067 XORYRMKSBPPAKW-MNOVXSKESA-N 317.411 -0.441 30 20 DBED C=CCCNC(=O)NCCNS(=O)(=O)Cc1ccon1 660807134 DXSNBBYWVGUAEY-UHFFFAOYSA-N 302.356 -0.031 30 20 DBED N#CCN(CC(=O)O)C(=O)c1ccc(S(N)(=O)=O)s1 739088631 XYNCRTMYJOKCJB-UHFFFAOYSA-N 303.321 -0.554 30 20 DBED C#CCCOC(=O)Cn1nc(C(=O)OCCC#C)ccc1=O 778355780 KXXGTHAVCSRWNB-UHFFFAOYSA-N 302.286 -0.010 30 20 DBED CC1(O)CCC(NS(=O)(=O)N2CCO[C@H](C#N)C2)CC1 800074853 UFQSZIXKMMDUNL-MOENNCHZSA-N 303.384 -0.261 30 20 DBED C#CCN1CCN(C(=O)CN2CCOC[C@H]2CC(=O)OC)CC1 805817896 FPMOZFHZPDLDNO-CQSZACIVSA-N 323.393 -0.972 30 20 DBED N#CCNC(=O)CNC(=O)NCc1nc(-c2ccccc2)n[nH]1 807555341 YRWJCXYFLMJQAF-UHFFFAOYSA-N 313.321 -0.089 30 20 DBED CN(C)c1c(C=NOC[C@H]2CCOC2)c(=O)n(C)c(=O)n1C 807984103 GPONIAZUCJMZIP-JTQLQIEISA-N 310.354 -0.463 30 20 DBED C#CCCN1CCN(C(=O)c2cc(-c3nn[nH]n3)cn2C)CC1 819698416 ZGEFJBLUVOMUIW-UHFFFAOYSA-N 313.365 -0.014 30 20 DBED CN(C)CC#CCNC(=O)c1cc(N2CCNC(=O)C2)ccn1 823674844 DCAJSIMTGDNSKR-UHFFFAOYSA-N 315.377 -0.687 30 20 DBED O=C1N=C(NN=C2CCCc3cc(-c4nn[nH]n4)ccc32)NC1=O 826482126 SJXRVVOFOCVLPT-UHFFFAOYSA-N 324.304 -0.491 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)c2[nH]ccc2C)CC1 831575103 XIJDMGMAVVDUFK-UHFFFAOYSA-N 310.379 -0.451 30 20 DBED C[C@@H]1CC(=NC(=O)c2nc(N)nc(N3CCOCC3)n2)NO1 845900035 NHVJKLHFVFXEEL-SSDOTTSWSA-N 307.314 -0.858 30 20 DBED C[C@H](C#N)C(=O)N1CCN(S(=O)(=O)N=S(C)(C)=O)CC1 854832352 UVLNXCMIOZUIOU-SECBINFHSA-N 322.412 -0.737 30 20 DBED O=C1CN(C(=O)COC(=O)c2cccc(C#CCO)c2)CCN1 860079219 GIZAVBVPQIWRQI-UHFFFAOYSA-N 316.313 -0.854 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N1C[C@H]2[C@@H](O)CC[C@H]2C1 910751741 XTLBUGHPIVNZAA-MJBXVCDLSA-N 308.378 -0.286 30 20 DBED CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCC[C@H](C#N)C1 921359950 SQUHUYFQVFGMLH-LLVKDONJSA-N 323.440 -0.167 30 20 DBED C#CC[C@@H](CO)NC(=O)NCC1(CS(C)(=O)=O)CCC1 922913239 UILIUVRXVYGFEL-NSHDSACASA-N 302.396 -0.115 30 20 DBED C#CCN1CC[C@H](NC(=O)CN2CCCS2(=O)=O)[C@H](C)C1 942106262 NAYKJLBBZSRWRP-OLZOCXBDSA-N 313.423 -0.518 30 20 DBED C[C@H]1CN(CC#N)CC[C@H]1NC(=O)CN1CCN(C)C(=O)C1 942201392 VAMVCDMTZZYUCM-QWHCGFSZSA-N 307.398 -0.889 30 20 DBED C=CCn1cccc1C(=O)NC[C@H]1CN(C(=O)C(N)=O)CCO1 944637019 DUERCVCRSSHCGO-NSHDSACASA-N 320.349 -0.883 30 20 DBED COc1nc(C(=O)NC[C@@H]2CN(C(=O)[C@@H](C)C#N)CCO2)co1 944683061 ZBWDYUSPPGVLFT-VHSXEESVSA-N 322.321 -0.200 30 20 DBED C#CCCN1CC[C@H](NC(=O)CN2C(=O)CCC2=O)[C@H](C)C1 944810726 KCWBFAHDZMLDEI-OLZOCXBDSA-N 305.378 -0.015 30 20 DBED C#Cc1cncc(C(=O)N[C@H]2CCN(C(=O)C(N)=O)C[C@@H]2C)c1 945490294 MCJDXOJOTBPZBE-GWCFXTLKSA-N 314.345 -0.485 30 20 DBED C#CCN1CCOC2(CCN(C(=O)c3cnn(C)c3N)CC2)C1 949348447 CEHLUJYKWUUXGW-UHFFFAOYSA-N 317.393 -0.058 30 20 DBED Cn1cnc(C(=O)N2CC[C@H]2CNC(=O)c2c[nH]c(C#N)c2)n1 949490535 CEQYECCKWLLYPT-NSHDSACASA-N 313.321 -0.341 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CN(C(=O)Cn2nccn2)C1 955366085 JPIIWYHRNQJVJX-OLZOCXBDSA-N 319.365 -0.462 30 20 DBED C[C@@H]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)C(N)=O 955798128 WLUKSFVCQFKZRH-PSASIEDQSA-N 303.322 -0.519 30 20 DBED C#CCN1CCC(C(=O)N2CCN([C@@H](C)C(N)=O)CC2)CC1 957768077 RNBNKUGTPACVMP-ZDUSSCGKSA-N 306.410 -0.650 30 20 DBED N#CCN1C[C@@H](O)[C@H](CNC(=O)c2cn3c(n2)CCCC3)C1 958117955 XDEUKYGGVRFJTJ-DGCLKSJQSA-N 303.366 -0.235 30 20 DBED C#CCCN1C[C@H](O)[C@H](CNC(=O)c2nc(C)c(C)nc2O)C1 958179387 MAGIVVYCJRWCGC-OLZOCXBDSA-N 318.377 -0.155 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](CNC(=O)c2ccc(=O)n(C)c2)C1 958202634 JFAUCTFABCQOBX-KGLIPLIRSA-N 305.378 -0.016 30 20 DBED C#CCCN1C[C@H](CNC(=O)c2ccn3nnnc3c2)[C@@H](O)C1 958322148 YXSDNFOXLUTPAC-STQMWFEESA-N 314.349 -0.830 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cnccn2)C1 958451373 IJGQSKLXLNWVMO-DLOVCJGASA-N 303.322 -0.720 30 20 DBED C#CCCN1C[C@@H](O)[C@H](CNC(=O)c2cn(CCC)nn2)C1 958552670 WENIENDGSMTRAY-TZMCWYRMSA-N 305.382 -0.266 30 20 DBED C#CCCN1C[C@H](O)[C@H](CNC(=O)c2cnn(CCOC)c2)C1 958635653 NVKSLZVPTKBDFU-HIFRSBDPSA-N 320.393 -0.425 30 20 DBED Cc1cn2nc(C(=O)NC3[C@H]4CN(CC#N)C[C@H]34)cc2c(=O)[nH]1 961347386 JETSWLCDBMVXCS-UWVGGRQHSA-N 312.333 -0.485 30 20 DBED C#CCCN1C[C@H]2[C@H](NC(=O)[C@H]3CCc4nnn(C)c4C3)[C@H]2C1 961600989 PVMSGMAXOZUYTB-BCUIYNNISA-N 313.405 -0.010 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)c1nnn(C)n1 963466398 OCIFYODWOCVVRD-OUAUKWLOSA-N 317.353 -0.425 30 20 DBED N#CCNC1CC2(C1)CC(NC(=O)CN1CCCNC1=O)C2 964188227 KZXUQRGOCPTKCF-UHFFFAOYSA-N 305.382 -0.058 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CN(C(=O)c3cn[nH]c3)CCO2)C1 965313423 LQXGKMRCMHECHD-JTQLQIEISA-N 303.322 -0.377 30 20 DBED CN1CCOC[C@H]1C(=O)N1CC[C@@]2(CN(CC#N)CCO2)C1 972348402 MNBHDKSZRVGLGP-DZGCQCFKSA-N 308.382 -0.856 30 20 DBED CNC(=O)CN1CCO[C@]2(CCN(C(=O)C#CC3CC3)C2)C1 972378078 OWLUCCHQMCFHSN-MRXNPFEDSA-N 305.378 -0.551 30 20 DBED CC#CCN1CCO[C@@]2(CCN(C(=O)[C@H]3CCNC3=O)C2)C1 972493604 CZHNPCJSAACFKG-BBRMVZONSA-N 305.378 -0.551 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)c3cnn[nH]3)C2)nc1 974297661 NSBIGUUDJSJFBG-PHIMTYICSA-N 310.317 -0.128 30 20 DBED COCCn1cc(C(=O)NC[C@H]2[C@@H]3CN(CC#N)C[C@H]23)nn1 978139572 DCDHUGKBICNDLO-CNDDSTCGSA-N 304.354 -0.644 30 20 DBED CN1C[C@@H](C(=O)N(C)C[C@@H]2CCN2C(=O)C#CC2CC2)NC1=O 978148506 QONGIFGDWNLVTN-STQMWFEESA-N 318.377 -0.517 30 20 DBED N#CCN1C[C@H]2[C@H](CNC(=O)[C@@H]3CCc4nn[nH]c4C3)[C@H]2C1 978942288 RRLFZUYVSBTXKA-KKOKHZNYSA-N 300.366 -0.273 30 20 DBED C#CCOc1ncccc1C(=O)NCC1[C@@H]2CN(CCO)C[C@@H]12 978979871 YOZIHOHSYSRWNW-GJZGRUSLSA-N 315.373 -0.007 30 20 DBED C[C@@H](NCc1ccc(C#N)cc1)[C@H]1CN(C(=O)C(N)=O)CCO1 979355977 HTCDJQLFQJEOHG-BXUZGUMPSA-N 316.361 -0.251 30 20 DBED C=C(C)CN1CCCN(C(=O)CN2CCN(C)C(=O)C2)CC1 981495499 UIKLVISNRRZPPO-UHFFFAOYSA-N 308.426 -0.129 30 20 DBED CC#CCN1CCCC2(C1)CN(C(=O)Cn1ncn(C)c1=O)C2 981861106 BFNBRMADDJVDTO-UHFFFAOYSA-N 317.393 -0.471 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CC(N)=O)[C@@H]1CC 985509955 PKWHGIXBLHGYLU-XQHKEYJVSA-N 323.393 -0.051 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](n2ccnn2)[C@H](NC(C)=O)C1 990781161 PSBYEMIZVAXCKB-MQYQWHSLSA-N 319.365 -0.243 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC(NC(=O)c2cn(C)cn2)C1 990827903 IPIAKKCLMJTSNR-AWEZNQCLSA-N 315.377 -0.542 30 20 DBED O=C(CN1CCCC1)N[C@@H]1CCN(C(=O)C#CC2CC2)C[C@H]1O 991505428 QBCRPDZOCGGHSA-HUUCEWRRSA-N 319.405 -0.426 30 20 DBED Cn1c(O)ncc(C(=O)N[C@@]23CCC[C@@H]2N(CC#N)CC3)c1=O 992101185 VQZGCXQOKLPVLE-XHDPSFHLSA-N 317.349 -0.264 30 20 DBED C=CCN[C@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)N2)CC1(C)C 996639753 BSODGFGGZCULIU-QWRGUYRKSA-N 301.412 -0.309 30 20 DBED C#CCN1CC[C@@H](n2cc(CNC(=O)[C@@H]3[C@H]4COC[C@H]43)nn2)C1 1000011484 XECOVWCAQLDICJ-KBXIAJHMSA-N 315.377 -0.333 30 20 DBED C#CCN1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCN(C)C3)nn2)C1 1000043361 KEPKOCAILVZARE-UKRRQHHQSA-N 316.409 -0.274 30 20 DBED C=CCn1cc(C(=O)N(C)C[C@@H]2CCCN2C(=O)C(N)=O)nn1 1002919929 GOJYFKHSLWDALI-JTQLQIEISA-N 320.353 -0.988 30 20 DBED C=CCN1CCC[C@H](NC(=O)CN2CCCS2(=O)=O)C1 1007465243 RMMXVZKRZRQUOL-LBPRGKRZSA-N 301.412 -0.212 30 20 DBED CN1CCN(CC(=O)N[C@@H]2CC23CCN(CC#N)CC3)CC1=O 1016696966 CBBJASDPTWMSFO-CYBMUJFWSA-N 319.409 -0.745 30 20 DBED N#Cc1c[nH]c(C(=O)NCC2=CCN(C(=O)CC(N)=O)CC2)c1 1017368260 RJDOHAMFNZCTMT-UHFFFAOYSA-N 315.333 -0.350 30 20 DBED C[C@@H]1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)CN1C(=O)C(N)=O 1018093107 QHAANVTUYQKHCK-PSASIEDQSA-N 303.322 -0.519 30 20 DBED CCc1nnsc1C(=O)N[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1O 1024486292 QMIQFRRDALHLIR-SZEHBUNVSA-N 323.378 -0.438 30 20 DBED C=C(C)CN1CC(NC(=O)C2(n3cnnn3)CCOCC2)C1 1031083176 CKKOBZXLROXXLH-UHFFFAOYSA-N 306.370 -0.445 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCC1CN([C@H](C)C(=O)N(C)C)C1 1031742343 BOCWJAYSFAKNBW-HIFRSBDPSA-N 320.437 -0.391 30 20 DBED C#CCCN1CCO[C@H](CNC(=O)[C@H]2CC(=O)N(CC)C2)C1 1035391839 QEEMQOAYNVIECJ-UONOGXRCSA-N 307.394 -0.305 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)[C@H]2CCCN(C(C)=O)C2)C1 1035436344 CBTNSQZCEODLNM-GJZGRUSLSA-N 307.394 -0.305 30 20 DBED CCCCN1CCOC[C@H]1C(=O)NC[C@H]1CN(CC#N)CCO1 1035456744 ARJPJROMMYONQM-GJZGRUSLSA-N 324.425 -0.172 30 20 DBED N#CCN1CC[C@@H]2CN(C(=O)CN3CCCNC3=O)CC[C@@H]21 1036758796 AFBCTRIOMRMMOJ-OLZOCXBDSA-N 305.382 -0.152 30 20 DBED C#CCCN1CC[C@H]2CN(C(=O)C3CC(=O)NC(=O)C3)CC[C@@H]21 1036843000 XSSONXFYXFWNJJ-JSGCOSHPSA-N 317.389 -0.015 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCN1Cc1nnn(C)n1 1038710720 PJSBXDCVZYPPPL-UTUOFQBUSA-N 306.370 -0.508 30 20 DBED C=CCOCC(=O)N1CC[C@@](O)(CNC(=O)c2n[nH]cc2C)C1 1039668849 CNDOJCVRVXMJHI-OAHLLOKOSA-N 322.365 -0.386 30 20 DBED Cc1nonc1CC(=O)N1CC[C@@](O)(CNC(=O)[C@H](C)C#N)C1 1040759147 FGLDXCDCNRVPPP-YMTOWFKASA-N 321.337 -0.840 30 20 DBED CCN(C)CCC(=O)NC[C@@]1(O)CCN(C(=O)[C@H](C)C#N)C1 1040901410 IOBXMLUIMWAWCW-DOMZBBRYSA-N 310.398 -0.433 30 20 DBED C=CCCOCC(=O)N1CC(O)(CNC(=O)c2ccccn2)C1 1041166167 KPCKVHVZYDBFLX-UHFFFAOYSA-N 319.361 -0.023 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)[C@H](C)[C@@H]2CCC(=O)N2)C1 1041963197 JNHDUQJJBVLUQG-NEPJUHHUSA-N 323.393 -0.443 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)C[C@H]2CCC(=O)N2C)C1 1041972989 NBVZTNARHJGCOG-GFCCVEGCSA-N 323.393 -0.347 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)Cc2ccon2)C1 1042204254 JGSRTWLLQNPFBW-UHFFFAOYSA-N 309.322 -0.891 30 20 DBED C#CCCCCC(=O)NCC1(O)CN(C(=O)[C@H](C)OCC#C)C1 1042663811 GRVKHYMIHALMFG-AWEZNQCLSA-N 320.389 -0.092 30 20 DBED CC[C@@H]1CCO[C@@H]1C(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042965127 VMLFWTQJUKZPCV-HIFRSBDPSA-N 320.389 -0.096 30 20 DBED C[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2)C[C@H]1N=c1cc[nH]c(C#N)n1 1043098677 HOJLBUWWWWJCRU-GMTAPVOTSA-N 314.349 -0.692 30 20 DBED COCC(=O)N1CC(O)(CNC(=O)CC#Cc2ccccc2)C1 1043297087 QAZKECXSSWRGQO-UHFFFAOYSA-N 316.357 -0.236 30 20 DBED C=C(C)CCC(=O)NCC1(O)CN(C(=O)Cn2nccn2)C1 1043310328 GQLCEEVGXDIDAL-UHFFFAOYSA-N 307.354 -0.676 30 20 DBED C[C@@H]1CN(C(=O)[C@H]2CCNC2=O)C[C@H]1Nc1cncc(C#N)n1 1043428823 ALIAPGLRPKHBRV-ADEWGFFLSA-N 314.349 -0.257 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)c2cnc(O)n2C)C1 1044456492 UJOHMMWSMNNQGO-UHFFFAOYSA-N 320.349 -0.768 30 20 DBED C=C(C)C[C@H](C)C(=O)N1CC(O)(CNC(=O)Cn2cncn2)C1 1046876258 XYRQSPKOYGQTSK-LBPRGKRZSA-N 321.381 -0.430 30 20 DBED Cn1cnn(CC(=O)N[C@H]2C[C@H]3C[C@@H](C2)N(CC#N)C3)c1=O 1047097740 YGRDORHAJYOCAY-SRVKXCTJSA-N 304.354 -0.926 30 20 DBED CC#CCCCC(=O)N1CC(O)(CNC(=O)c2ccnnc2)C1 1047131201 KRFIVLGUMAIYBO-UHFFFAOYSA-N 316.361 -0.027 30 20 DBED C=CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@]2(C)CCC(=O)NC2)C1 1047498290 OLCPWTAGUIMHQE-XEZPLFJOSA-N 309.410 -0.018 30 20 DBED C=CCOc1cccnc1C(=O)N(C)[C@H]1CN(CCO)C[C@@H]1O 1047592557 VTCCVSHBYYEEAK-STQMWFEESA-N 321.377 -0.244 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cn2cccn2)C1 1048230843 CETLTHAKLJZMES-KBPBESRZSA-N 318.377 -0.427 30 20 DBED C#CCCCC(=O)N(C)[C@H]1CN(C(=O)[C@H](C)NC(C)=O)C[C@@H]1O 1048750310 PNHCOQBGWMSXIK-UBHSHLNASA-N 323.393 -0.655 30 20 DBED C#CCN1C[C@H]2CN(C(=O)CN3C(=O)CC(C)(C)C3=O)C[C@H]2C1 1048820133 DKWWXAVZOIUEEC-BETUJISGSA-N 317.389 -0.205 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCO2)C1 1048973459 VWZDRSBFYSWJGQ-ZOBORPQBSA-N 324.377 -0.766 30 20 DBED C=CCn1cc(C(=O)N2CCC[C@H]3CN(CC(N)=O)C[C@H]32)nn1 1050159609 DCRREKGKRPKQPQ-WCQYABFASA-N 318.381 -0.514 30 20 DBED N#Cc1ccc(N2CC[C@@H](NC(=O)c3cnon3)[C@@H](O)C2)nn1 1051717777 JNAZCWKIRJYWIZ-KOLCDFICSA-N 315.293 -0.899 30 20 DBED CC#CCN1CCN([C@@H]2CCN(C(=O)c3cnon3)C2)CC1 1052100091 ZBAKFEQHRVJGEX-CYBMUJFWSA-N 303.366 -0.075 30 20 DBED Cn1cc([C@@H]2C[C@H]2C(=O)N2CCOC3(CN(CC#N)C3)C2)cn1 1053442936 RHSJOZPHWPJITN-UONOGXRCSA-N 315.377 -0.040 30 20 DBED C#CCCN1CC2(CC[C@@H](CNC(=O)c3c[nH]c(=O)cn3)O2)C1 1053654318 IRDSVPVRGSZYNZ-LBPRGKRZSA-N 316.361 -0.244 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)[C@@H]3CC(=O)N(C)C3)CO2)C1 1053822424 NCCFERXVVAOJSG-CHWSQXEVSA-N 305.378 -0.553 30 20 DBED C[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1NCc1nc(=O)n(C)[nH]1 1054640221 XUQPGUWWVUSALC-CMPLNLGQSA-N 303.366 -0.542 30 20 DBED CC(=O)NCC(=O)N[C@@]1(CO)CCCN(C(=O)C#CC2CC2)C1 1055718933 TXVSGCYFAVKJCK-INIZCTEOSA-N 321.377 -0.994 30 20 DBED C=CCOCC(=O)N1CCC[C@H]2[C@H]1CCN2C(=O)CNC(N)=O 1056313472 BEWBNCYJNKFGDQ-NWDGAFQWSA-N 324.381 -0.551 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)C[C@@](C)(O)C=C 1057450016 LVYSAPXDSFZUIU-HNNXBMFYSA-N 314.382 -0.547 30 20 DBED C=CC(C)(C)C(=O)N(CCO)CCNC(=O)[C@H]1C[C@H]1C(N)=O 1058303611 DGZPEJOHWNPZQU-MNOVXSKESA-N 311.382 -0.743 30 20 DBED C=C[C@@H](C)[C@@H](C)C(=O)N(CCO)CCNC(=O)Cn1cncn1 1058438405 WGISZXHAJHRHCN-CHWSQXEVSA-N 323.397 -0.327 30 20 DBED C=C[C@@](C)(CC)C(=O)N(CCO)CCNC(=O)c1ncn(C)n1 1058728237 NJIQETJYPLQFIF-HNNXBMFYSA-N 323.397 -0.032 30 20 DBED CNC(=O)CC(=O)N1CC2(CCN(C(=O)C#CC3CC3)CC2)C1 1060981345 AEEDNFFWJRPIEX-UHFFFAOYSA-N 317.389 -0.013 30 20 DBED C=CCOCC(=O)N1CCOC[C@@H]1CNC(=O)[C@H](C)OCC 1061334137 HONMUXLQOMZCJK-STQMWFEESA-N 314.382 -0.042 30 20 DBED C=CCCC(=O)NC[C@@H]1COCCN1C(=O)[C@H]1COC(=O)N1 1061408439 VMGSHOOGUUQAFS-GHMZBOCLSA-N 311.338 -0.595 30 20 DBED C=CCOCC(=O)NC[C@@H]1COCCN1C(=O)[C@H]1CCCO1 1061421021 HJXBBEWFTOSSRJ-CHWSQXEVSA-N 312.366 -0.288 30 20 DBED CCc1nc(C#N)cc(N2[C@H]3CC[C@H]2CN(C(=O)C(N)=O)C3)n1 1062018187 AAQYOVJULBTMJR-QWRGUYRKSA-N 314.349 -0.424 30 20 DBED C[C@@H]1CCCN(C(=O)C(N)=O)[C@@H]1CNc1cncc(C#N)n1 1063957820 YENWKIUKHKLNET-MWLCHTKSSA-N 302.338 -0.127 30 20 DBED N#Cc1cncc(N2[C@H]3CCC[C@H]2CN(C(=O)C(N)=O)C3)n1 1064538651 QQYDETAAYLZYAE-QWRGUYRKSA-N 300.322 -0.597 30 20 DBED C=CCCO[C@@H](C)C(=O)NC[C@@H]1CN(C(=O)COC)CCO1 1064752243 AENYZMLIRLTWRV-QWHCGFSZSA-N 314.382 -0.042 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CN(C(=O)c2cnn(C)c2N)CCO1 1065071943 SFFCVIOETXGMLB-UWVGGRQHSA-N 320.353 -0.881 30 20 DBED CCn1ncc(C(=O)N2CCO[C@@H](CNC(=O)[C@@H](C)C#N)C2)n1 1065117278 LDGBYDGFFXQRME-QWRGUYRKSA-N 320.353 -0.585 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)CCCC(N)=O)CCO1 1065307092 VVEHUNNXIDZUJU-ZDUSSCGKSA-N 323.393 -0.355 30 20 DBED Cc1nonc1C(=O)N1CCO[C@@H](CNC(=O)[C@@H](C)C#N)C1 1065309153 KXPPDVHXBQHERO-WPRPVWTQSA-N 307.310 -0.505 30 20 DBED C[C@]1(NC(=O)[C@H]2CCNC2=O)CCN(c2cncc(C#N)n2)C1 1065312577 SIWBBTPRTNOHOH-NHYWBVRUSA-N 314.349 -0.431 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)c2nc[nH]n2)CCO1 1065447935 UFILRYZXAUFMRD-NSHDSACASA-N 305.338 -0.579 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@H](CNC(=O)CN2CCCC2)C1 1065556512 IMTRKXURUQNEDG-QWHCGFSZSA-N 308.382 -0.415 30 20 DBED CO[C@H](C)C(=O)N1CCO[C@H](CN=c2cc[nH]c(C#N)n2)C1 1066585358 ZMRWSGITBOAABM-GHMZBOCLSA-N 305.338 -0.556 30 20 DBED N#Cc1nccc(N2C[C@H]3[C@H](CNC(=O)c4nc[nH]n4)[C@H]3C2)n1 1068181018 VHHDUOBZOMXIIP-OWUUHHOZSA-N 310.321 -0.421 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CCC2(CN(C(=O)c3cnon3)C2)O1 1068620201 JBLKUSZBPXCIIV-UWVGGRQHSA-N 319.321 -0.281 30 20 DBED CCC1(NC(=O)[C@H]2CNC(=O)N2)CCN(C(=O)[C@H](C)C#N)CC1 1069580623 GZQYIZMPUBNZDR-GHMZBOCLSA-N 321.381 -0.285 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2cnn(CC)n2)C[C@@H]1n1ccnn1 1070190186 RDVYCBLXZMWUGB-OLZOCXBDSA-N 314.353 -0.822 30 20 DBED C[C@@H]1CC[C@H](C(=O)N2C[C@H](n3ccnn3)[C@H](NCC#N)C2)O1 1070279154 MTJKIVDUNOKYSK-FVCCEPFGSA-N 304.354 -0.289 30 20 DBED CC(=O)N1CC(C(=O)N2C[C@H]3C[C@@H]4CN(CC#N)C[C@]3(C2)O4)C1 1070792012 JSNHHFGDAIDORD-IIAWOOMASA-N 318.377 -0.710 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)C[C@H]4CCNC4=O)C[C@@]3(C1)O2 1070808607 XIVVNASDKGCUNI-UMPJEAMMSA-N 317.389 -0.553 30 20 DBED C=CCCOCC(=O)N1CCC[C@@H](NC(=O)Cn2ncnn2)C1 1070902631 NYYZWAANPWIZMX-GFCCVEGCSA-N 322.369 -0.627 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCC(C)(NC(=O)C(N)=O)CC1 1073121784 LDOOOJJWWDJCRD-LBPRGKRZSA-N 320.393 -0.933 30 20 DBED COCCC(=O)N1CC(N2CCN(C(=O)C#CC3CC3)CC2)C1 1073569102 KRGOCWKWGBZQFL-UHFFFAOYSA-N 319.405 -0.209 30 20 DBED C#CCCN1CCCO[C@@H](CNC(=O)[C@H]2COCCN2CC)C1 1073665328 WUWNVJSPSFZBAS-JKSUJKDBSA-N 323.437 -0.063 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)c2ccnc(OC)n2)C1 1073690910 KZMNYTSKMBXGSK-GFCCVEGCSA-N 304.350 -0.061 30 20 DBED C=CCOCC(=O)N1CC[C@H](NC(=O)c2ncn(C)n2)[C@@H](C)C1 1073926915 MHGZUQFAJFJXLF-RYUDHWBXSA-N 321.381 -0.016 30 20 DBED CCCN(C)CC(=O)N1CCC(O)(CNC(=O)[C@@H](C)C#N)CC1 1074656764 YUYRKEPNBCJTHK-ZDUSSCGKSA-N 324.425 -0.042 30 20 DBED C=CCCC(=O)NCC[C@H](C)NC(=O)CN1CCNC(=O)C1 1075887828 HETJTVBPWSALOJ-LBPRGKRZSA-N 310.398 -0.605 30 20 DBED N#CCN1C[C@@H]2CCN(C(=O)C3CC4(C3)CS(=O)(=O)C4)[C@@H]2C1 1075945001 YAOYCZBXSYMNPU-WCQYABFASA-N 323.418 -0.133 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)CCCOC 1076217842 KJSJAMFIIFZZRC-LBPRGKRZSA-N 311.382 -0.437 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)[C@H](CC)N(C)C 1076218048 UJKUPYZZDJVBQP-STQMWFEESA-N 324.425 -0.523 30 20 DBED C=CCCN1C[C@@H]2CCN(C(=O)c3cn(CC(N)=O)nn3)[C@@H]2C1 1076607444 FIWIIWBSKSRWLK-WCQYABFASA-N 318.381 -0.514 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCn3nccc32)C1 1077255554 GXXYKMHKKMPSGP-UMVBOHGHSA-N 302.378 -0.055 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCS(=O)(=O)C2)C1 1077332196 SHXIKNVKZHHSPJ-IJLUTSLNSA-N 302.396 -0.842 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(Cc2cnnn2C)C[C@H]1O 1077694260 KJGFCEQPFNULHN-SYQHCUMBSA-N 321.381 -0.933 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C1(C(N)=O)CC1 1078535587 YSIKSCFIEKCDFG-TUAOUCFPSA-N 323.393 -0.146 30 20 DBED N#CCN[C@H]1C[C@H](NC(=O)CN2CCC(=O)NC2=O)C12CCC2 1078774363 WTLAAPSISOJKNY-QWRGUYRKSA-N 319.365 -0.531 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H]1CN(C(=O)CCC=C)C[C@H]1O 1081420173 UZUHQRIOASCOAH-QWHCGFSZSA-N 321.377 -0.972 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)c2ccncn2)C[C@@H]1O 1081438366 BNVMJXKYBGFDRI-OCCSQVGLSA-N 316.361 -0.171 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)c2cnn(C)c2)C[C@@H]1O 1081441235 GCJWMNSENQEYME-JSGCOSHPSA-N 318.377 -0.227 30 20 DBED C=CCCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2ncn(C)n2)C1 1081453221 RQUAUUXOFXDDBO-NWDGAFQWSA-N 321.381 -0.280 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@H](CNC(=O)Cc2cncn2C)C1 1081619169 XQSPYWJFRPOSLS-OCCSQVGLSA-N 320.393 -0.136 30 20 DBED CC#CCN1C[C@@H](NC(=O)[C@@H]2CCN(C)C(=O)C2)[C@H](OC)C1 1081865104 XAMSKONVVCRDHE-MGPQQGTHSA-N 307.394 -0.307 30 20 DBED C#CCN1C[C@@H](NC(=O)c2c(C)nn(C)c2OC)[C@H](OC)C1 1082194058 FCCBKAAFJKNGMO-VXGBXAGGSA-N 306.366 -0.201 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)c2cccn3nnnc23)C1 1083491305 XMFHQMICJDISTR-NEPJUHHUSA-N 302.338 -0.525 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 1083566699 XHOIWQJMFUVVNS-FVCCEPFGSA-N 317.817 -0.381 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2ncoc2-c2ccon2)C1 1083959509 XEHGLLGMQOCFRM-ZJUUUORDSA-N 303.278 -0.372 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2cccc(-n3cnnn3)c2)C1 1084046217 XMENNSTWGOOANR-KGLIPLIRSA-N 312.333 -0.930 30 20 DBED N#CCN[C@H]1C[C@H](CNC(=O)C2CC3(C2)CS(=O)(=O)C3)C1 1086400538 LMIGSKQUXDUPMU-UMSPYCQHSA-N 311.407 -0.181 30 20 DBED C=CCN1CC[C@@H](NC(=O)c2cnc3n2CCOC3)[C@@H](O)C1 1090336041 DKPYVWLMAXQNNX-YPMHNXCESA-N 306.366 -0.236 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2ccn3nnnc3c2)[C@@H](O)C1 1090484550 BJJZTNJCXQSZLJ-STQMWFEESA-N 314.349 -0.687 30 20 DBED C=CCN1CC[C@@H](NC(=O)c2ccc(C(=O)NC)nc2)[C@@H](O)C1 1090734108 JTIWPUWVQCBHSI-OCCSQVGLSA-N 318.377 -0.208 30 20 DBED C[C@@H](CC(N)=O)C(=O)NC[C@H]1C[C@@H](N=c2cc[nH]c(C#N)n2)C1 1091391775 MBNIEBBFYRBPOO-GARJFASQSA-N 316.365 -0.412 30 20 DBED N#Cc1nccnc1NC1CC(CNC(=O)Cn2cnnn2)C1 1092185987 FXWLFTDGOIEYKD-UHFFFAOYSA-N 313.325 -0.658 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H]1[C@@H]2CN(c3ccnc(C#N)n3)C[C@@H]21 1093310652 KBLPEYNWGYILAF-UUIJZJDISA-N 311.345 -0.063 30 20 DBED N#Cc1nccnc1NCCNC(=O)c1ccnc2[nH]nnc12 1094265352 AJCSWNXESBTFCX-UHFFFAOYSA-N 309.293 -0.144 30 20 DBED C#CCCN1CC(n2cc(CNC(=O)c3n[nH]cc3F)nn2)C1 1094316824 NFCMPBZWWRGZBC-UHFFFAOYSA-N 317.328 -0.050 30 20 DBED Cc1c[nH]c(C(=O)N2CCN(CC#N)[C@H]3CS(=O)(=O)C[C@H]32)n1 1094667260 KIPCDRPASMABSU-WDEREUQCSA-N 323.378 -0.835 30 20 DBED C#CCCN1CC(N2C[C@H](NC(=O)[C@H]3CCCCO3)CC2=O)C1 1094722988 ZSGPPGFVPHMXKD-UKRRQHHQSA-N 319.405 -0.020 30 20 DBED C#CCCN1CC(N2C[C@@H](NC(=O)c3n[nH]cc3C)CC2=O)C1 1094735506 PXZFCQKNBVQYBW-LBPRGKRZSA-N 315.377 -0.244 30 20 DBED N#CCN1CC(N2C[C@H](NC(=O)Cc3cncs3)CC2=O)C1 1094747347 PVYJPNJCKZUBDE-SNVBAGLBSA-N 319.390 -0.390 30 20 DBED CC(=O)N(C)CC(=O)NCCCN(C)c1ccc(C#N)nn1 1095473300 QYKYVHYXYVKXDG-UHFFFAOYSA-N 304.354 -0.231 30 20 DBED CNC(=O)NCC(=O)N[C@H]1C[C@H](Nc2ncccc2C#N)C1 1097108870 NWBLEVIXTXHKNT-XYPYZODXSA-N 302.338 -0.059 30 20 DBED C[C@H](NC(=O)CC(N)=O)[C@@H]1CCCN(c2cnc(C#N)cn2)C1 1097519700 YTBKXIOBVCOLAD-WDEREUQCSA-N 316.365 -0.055 30 20 DBED Cc1cc(C#N)nc(N[C@@H](C)CNC(=O)Cn2cncn2)n1 1097844391 JDTMRBIMXFRZSU-JTQLQIEISA-N 300.326 -0.135 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)Cn1cnnn1)C[C@@H](C)O2 1098561318 AWNMBNQHVANFLA-CYBMUJFWSA-N 318.381 -0.612 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@@H](C)Nc1nccc(OC)n1 1098982821 BEAVRMLYIRQVNH-LLVKDONJSA-N 319.365 -0.069 30 20 DBED C#CCN1CC(C)(C)CC[C@H]1CNC(=O)Cn1c(O)nnc1O 1099325761 XLYGPMFTHQIQKK-NSHDSACASA-N 321.381 -0.071 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(Cc2ccnn2C)C[C@H]1O 1099740769 JFDZAVVZYANWKY-ZIAGYGMSSA-N 308.382 -0.326 30 20 DBED CCC(=O)N[C@H](C)C(=O)NCC[C@@H](C)N=c1cc[nH]c(C#N)n1 1099745306 NEYJIMWABMXWBW-GHMZBOCLSA-N 318.381 -0.008 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2coc(C)n2)[C@H](O)C1 1099792517 VUQAKNXRVOIYFK-TZMCWYRMSA-N 307.350 -0.202 30 20 DBED CC(C)CNC(=O)CN1CC[C@@H](NC(=O)C#CC2CC2)[C@@H](O)C1 1099826488 LRVSJKUUPAXFSQ-CABCVRRESA-N 321.421 -0.277 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)c2csnn2)[C@H](O)C1 1099935634 RNOWDVKEWCLHGO-ZYHUDNBSSA-N 312.395 -0.094 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CCc2nc(C)no2)[C@@H](O)C1 1099942860 YAVDZJBIHSIEBK-OLZOCXBDSA-N 306.366 -0.115 30 20 DBED CN(CCNC(=O)c1cc(C#N)c[nH]1)c1nccn2nnnc12 1100012140 GAKYUOXWLSGIEW-UHFFFAOYSA-N 311.309 -0.415 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)CS(=O)(=O)C(C)C)[C@H](O)C1 1100116377 WVLNMGOCIHCCAS-QWHCGFSZSA-N 318.439 -0.063 30 20 DBED COc1nn(C)cc1C(=O)NCCN(C)c1nccnc1C#N 1100278859 UBTCZVVJLIITIF-UHFFFAOYSA-N 315.337 -0.043 30 20 DBED Cc1cc(N(C)CCNC(=O)[C@H]2C[C@H]2C(N)=O)c(C#N)cn1 1100328330 YKQDUBWWMRUDEN-NEPJUHHUSA-N 301.350 -0.065 30 20 DBED C=CCNC(=O)[C@@H](C)NC1CC(CNC(=O)Cn2cncn2)C1 1100959413 UGYZCVZSNUCKIR-PNESKVBLSA-N 320.397 -0.547 30 20 DBED Cn1ccc(C(=O)NCC2CC(NCC(=O)NCC#N)C2)n1 1100982018 JTSSSGPXGSJYJM-UHFFFAOYSA-N 304.354 -0.842 30 20 DBED N#Cc1cnccc1N1CC[C@@H](CNC(=O)Cn2ncnn2)C1 1101017554 ISEDSKJNXFEMSB-NSHDSACASA-N 312.337 -0.418 30 20 DBED C#CCNC(=O)CC(=O)N(C)CCNc1nccnc1C#N 1101551176 WZWXGCXQBSUDGZ-UHFFFAOYSA-N 300.322 -0.642 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)CNC(=O)CC)c3nccn32)C1 1101617362 OJUBIIDRWDNACC-LBPRGKRZSA-N 315.377 -0.386 30 20 DBED CC(=O)NCC(C)(C)C(=O)N(C)CCN=c1cc[nH]c(C#N)n1 1101689413 IBZAZHMROYSXQO-UHFFFAOYSA-N 318.381 -0.197 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN([C@@H]2CCC(=O)NC2=O)C[C@H]1C 1101818570 WATVPFBKKRREFQ-JHJVBQTASA-N 323.393 -0.322 30 20 DBED C[C@@H]1CN(CC(=O)N2CCOCC2)C[C@H]1CNC(=O)[C@H](C)C#N 1101823790 LWUSNBSFDSUEEP-MGPQQGTHSA-N 322.409 -0.311 30 20 DBED CN(CCNc1cncc(C#N)n1)C(=O)[C@@H]1CCN(C)C1=O 1101908003 YHRHSASRRCTAHA-LLVKDONJSA-N 302.338 -0.303 30 20 DBED CN(CCNc1cnc(C#N)cn1)C(=O)c1cn(C)c(=O)cn1 1102048003 BFVFWFGOJJYZRR-UHFFFAOYSA-N 313.321 -0.374 30 20 DBED COC(=O)NCC(=O)NC[C@@H](C)CNc1nccnc1C#N 1103857239 WJLZUZCZFXNRSZ-SECBINFHSA-N 306.326 -0.132 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](C)CNC(=O)Cn2ncnn2)n1 1104095391 SQKFZYNLGOJJDM-VIFPVBQESA-N 315.341 -0.492 30 20 DBED C#CCCNCc1cn(C2CN(C(=O)[C@@]3(F)CCOC3)C2)nn1 1105312094 BNANJZSJUTVADW-OAHLLOKOSA-N 321.356 -0.097 30 20 DBED C#CCN[C@@H]1C[C@]2(C[C@H]1O)CN(C(=O)CC(=O)NC)[C@H]2C(C)C 1105622804 IGEMJFQSWDZCFL-OMNBBPDLSA-N 321.421 -0.278 30 20 DBED N#Cc1nccnc1NC[C@H]1CCC[C@@H]1NC(=O)CNC(N)=O 1105655615 RAFSXKNOTUGJIA-ZJUUUORDSA-N 317.353 -0.287 30 20 DBED Cn1cc(C(=O)NC[C@@H](O)CNc2ncccc2C#N)cn1 1105716033 HCVVHYOIBZEONO-LBPRGKRZSA-N 300.322 -0.110 30 20 DBED Cc1cc(C(=O)NC[C@H](O)CNc2cnc(C#N)cn2)on1 1105746091 CFKICGPWWMDCBW-SNVBAGLBSA-N 302.294 -0.153 30 20 DBED Cc1cc(CC(=O)NC[C@@H](O)CN=c2cc[nH]cc2C#N)n[nH]1 1105816659 IXHYSUGFHXMOBM-ZDUSSCGKSA-N 314.349 -0.462 30 20 DBED N#Cc1cncc(NC[C@H](O)CNC(=O)c2c[nH]c(C#N)c2)n1 1105830677 JUSAIZCZXFIGLQ-LBPRGKRZSA-N 311.305 -0.249 30 20 DBED N#Cc1cccnc1NC[C@H](O)CNC(=O)Cn1cncn1 1105838901 HPMSVDWQUNPKBR-LLVKDONJSA-N 301.310 -0.866 30 20 DBED Cc1nccc(C(=O)NC[C@H](O)CNc2nccnc2C#N)n1 1105861237 BPUCCZBNLWAAAM-SNVBAGLBSA-N 313.321 -0.351 30 20 DBED Cc1ccc(C#N)c(NC[C@H](O)CNC(=O)c2nc[nH]n2)n1 1105932356 HRGQVYUHHIVSPF-JTQLQIEISA-N 301.310 -0.417 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)C[C@H]2CCNC2=O)nc1 1106003136 WMIXEMKTNRPSKJ-NEPJUHHUSA-N 317.349 -0.632 30 20 DBED Cc1ccnn1CC(=O)NC[C@H](O)CNc1nccnc1C#N 1106133382 JJRMPALXZHCPLI-NSHDSACASA-N 315.337 -0.558 30 20 DBED CCN(CCN=c1cc[nH]cc1C#N)C(=O)c1nnn(C)n1 1106918580 JZSDDYTWNGWLCQ-UHFFFAOYSA-N 300.326 -0.527 30 20 DBED CCC(=O)N[C@H](C)C(=O)NCc1cn(C2CN(CC#N)C2)nn1 1107174307 NKEQOLOTAUACST-SNVBAGLBSA-N 319.369 -0.811 30 20 DBED C[C@@]1(CNC(=O)C[C@@H]2CCC(=O)NC2)CN(CC#N)CCO1 1107994486 PGRWHWREUGCDKX-SWLSCSKDSA-N 308.382 -0.367 30 20 DBED C#CCCN1CCO[C@](C)(CNC(=O)C[C@@H]2CCC(=O)N2)C1 1108275573 HYIANQMKFDSLNB-XJKSGUPXSA-N 307.394 -0.115 30 20 DBED C=CCN1CCN(C(=O)[C@@H](C)OCC)[C@@H]2CS(=O)(=O)C[C@@H]21 1108460047 IEWFNVNQMVTJFE-FRRDWIJNSA-N 316.423 -0.093 30 20 DBED CO[C@@H](C(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1)C1CC1 1108540895 JRPDODSCAWJBNB-SMDDNHRTSA-N 306.366 -0.664 30 20 DBED COCC(C)(C)CC(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1 1108558545 HEGWWWWCUUYVJO-GFCCVEGCSA-N 322.409 -0.026 30 20 DBED C#CCCCC(=O)N1C[C@H]2C[C@@H](NCC(=O)NC(N)=O)C[C@H]1C2 1108676401 KKGVZOQPRMXCOE-YNEHKIRRSA-N 320.393 -0.046 30 20 DBED C[C@@H](CN(C)c1ncccc1C#N)NC(=O)CCn1cnnn1 1109053400 KDWBIDCDTDQMHT-NSHDSACASA-N 314.353 -0.029 30 20 DBED C[C@@H](CN(C)c1ccc(C#N)cn1)NC(=O)c1nnn(C)n1 1109181214 CYWNHDUZDZZWQZ-VIFPVBQESA-N 300.326 -0.269 30 20 DBED CN(CCCN=c1cc[nH]c(C#N)n1)C(=O)[C@]1(C)CNC(=O)C1 1109567592 RCRPEZWZOBCYPB-HNNXBMFYSA-N 316.365 -0.443 30 20 DBED C[C@]1(CNC(=O)C(N)=O)CCCN(c2ccnc(C#N)n2)C1 1110953896 OJRIITAHRACAJB-CQSZACIVSA-N 302.338 -0.444 30 20 DBED C#CCOCCC(=O)NC[C@@]1(O)CCN(c2cnc(F)cn2)C1 1111098519 SKAAOWOVAJGHLW-HNNXBMFYSA-N 322.340 -0.287 30 20 DBED CC(=O)NCC(=O)N1C[C@H](C)[C@H](CN=c2cc[nH]c(C#N)n2)C1 1111233223 PTTPQPROSXIAMK-CMPLNLGQSA-N 316.365 -0.587 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2CCC[C@]2(CNCC(N)=O)C1 1112350009 DKHQKIMFQAFFMN-XEZPLFJOSA-N 307.394 -0.272 30 20 DBED C[C@H]1CN(c2ccnc(C#N)n2)CC[C@@H]1NC(=O)CNC(N)=O 1112392843 MKSKAHPYYFKCAD-UWVGGRQHSA-N 317.353 -0.652 30 20 DBED C=CCOCC(=O)N1CCN(CCCS(C)(=O)=O)CC1 1112703808 GZBMAUDMQABJFR-UHFFFAOYSA-N 304.412 -0.232 30 20 DBED C[C@H](CNC(=O)CN1CCOCC1)N(C)c1cncc(C#N)n1 1113558221 GJOSBPNJZOGCMW-GFCCVEGCSA-N 318.381 -0.379 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CCNC(=O)C1)N(C)c1ccnc(C#N)n1 1113575501 WGWCWFQEKKCFED-WDEREUQCSA-N 316.365 -0.185 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3nccnc3N)[C@H]2C1 1114058081 QGNRKRNNNZEKIB-IAZYJMLFSA-N 316.365 -0.979 30 20 DBED CCc1ocnc1C(=O)NC1[C@H]2CN(CC(=O)NCC#N)C[C@H]12 1114086532 YBOYTVHEGUYTCG-UWVGGRQHSA-N 317.349 -0.463 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1[C@@H]2CN(Cc3cnn(C)c3)C[C@@H]21 1114158050 PDLVTZVACRWRRV-VIKVFOODSA-N 315.377 -0.894 30 20 DBED CO[C@H](C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21)C1CC1 1114209057 KGIDHIGBBSJTKO-UNJBNNCHSA-N 306.366 -0.902 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)C3(N(C)C)CCC3)[C@H]2C1 1114400315 FKAOAJUITSDNRB-STQMWFEESA-N 320.437 -0.181 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)c3cncn3C)[C@H]2C1 1114523800 IOORLDNUXXYAOH-NMKXLXIOSA-N 315.377 -0.782 30 20 DBED C=C(C)CN1C[C@@H]2C(NC(=O)COCc3nncn3C)[C@H]2C1 1115046430 LYGHFOXEYUBELC-RYUDHWBXSA-N 305.382 -0.046 30 20 DBED C#CCN1C[C@H]2C(NC(=O)CCNC(=O)c3cnccn3)[C@@H]2C1 1115261249 MUSRJDVMDHXJBM-VXGBXAGGSA-N 313.361 -0.724 30 20 DBED CC(=O)N(C)CC(=O)N(C)C[C@@H](C)N=c1cc[nH]c(C#N)n1 1115631124 SPAPFTCKJMEPQJ-SNVBAGLBSA-N 304.354 -0.493 30 20 DBED C[C@H]1CN(C(=O)C(=O)NCC#Cc2ccccc2)C[C@H](CO)O1 1116987013 ALOZLVXLBYTYLB-DZGCQCFKSA-N 316.357 -0.238 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CCO[C@H]([C@H]2CCCO2)C1 1117543063 CIBXULYSOXCEHM-UPJWGTAASA-N 312.366 -0.290 30 20 DBED CC#CC[C@H](CO)NC(=O)C(=O)Nc1cccc(C(=O)OC)n1 1118245329 BKSCHEWRAYZENB-SNVBAGLBSA-N 319.317 -0.303 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCc1nnc2c(=O)[nH]ccn12 1119604378 HNVLTUSSLOVZAH-JTQLQIEISA-N 300.322 -0.869 30 20 DBED Cc1ncncc1C(=O)NC[C@@H](CO)Nc1cncc(C#N)n1 1121085933 GJCUHXJSOBWYJC-NSHDSACASA-N 313.321 -0.351 30 20 DBED Cc1cc(CC(=O)NC[C@@H](CO)Nc2ccc(C#N)nn2)no1 1121228333 GOPPPYHTZZFJON-LBPRGKRZSA-N 316.321 -0.224 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)Cc2cc[nH]n2)nc1 1121399874 RHIRSDGYLYSHPA-LBPRGKRZSA-N 300.322 -0.192 30 20 DBED Cc1nsc(N[C@@H](CO)CNC(=O)Cn2cncn2)c1C#N 1121537124 VYVPMALNBSIIDJ-SECBINFHSA-N 321.366 -0.496 30 20 DBED Cc1n[nH]c(C)c1C(=O)NC[C@H](CO)Nc1cnc(C#N)cn1 1121919664 DKWZNYHUNJJWOX-LLVKDONJSA-N 315.337 -0.109 30 20 DBED Cc1nocc1C(=O)NC[C@H](CO)Nc1ccc(C#N)nn1 1122436635 GWXTWUZFRCLZKL-SNVBAGLBSA-N 302.294 -0.153 30 20 DBED CCC(=O)NCC(=O)N(C)C[C@H](O)CN=c1cc[nH]cc1C#N 1124185449 OOMNAYCSEFRKOP-GFCCVEGCSA-N 319.365 -0.867 30 20 DBED C#CCNC(=O)CC(=O)N(C)C[C@@H](O)CNc1nccc(C)n1 1124314718 KAZXQQRLWJXYFS-LBPRGKRZSA-N 319.365 -0.844 30 20 DBED CC(C)N(C)CC(=O)N(C)C[C@H](O)CN=c1cc[nH]cc1C#N 1124380854 DWDSXEPHYOPMDR-CQSZACIVSA-N 319.409 -0.053 30 20 DBED C=CCOCC(=O)NCCNCCCS(=O)(=O)N(C)C 1124773404 QYPKHGKDXPWIHZ-UHFFFAOYSA-N 307.416 -0.824 30 20 DBED C#CCOCCC(=O)NCCNC[C@H](O)COCc1ccco1 1127023033 AIJQGJGYQMAPMT-AWEZNQCLSA-N 324.377 -0.097 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NCCNCCN1CCNC1=O 1127609355 XKDWXQJCLXCWTE-OLZOCXBDSA-N 310.398 -0.301 30 20 DBED C#CCN1CCn2ncc(CNC(=O)[C@@]3(C)CCNC3=O)c2C1 1128489336 MIRUZGKEJKUWKG-INIZCTEOSA-N 315.377 -0.526 30 20 DBED C=CCOCCN1C[C@H](n2ccnn2)[C@H](NC(=O)COC)C1 1128612931 WZNSFYVLFQYXOI-OLZOCXBDSA-N 309.370 -0.531 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H](C)NC(=O)CC)C1 1129009488 CDQMRHCLOJCOBH-XQQFMLRXSA-N 318.381 -0.833 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)CCOCCOC)C1 1129481218 IXZPAZGTVUZWME-KGLIPLIRSA-N 321.381 -0.694 30 20 DBED CC#CCN[C@@H]1CN(C(=O)c2ccon2)C[C@@H]1n1ccnn1 1129617503 ABUJAMMDSHCIFV-OLZOCXBDSA-N 300.322 -0.055 30 20 DBED C=C[C@@H](CC)CC(=O)NCCNCc1cc(=O)n(C)c(=O)n1C 1132670911 FXHRCVOAHQZUAD-LBPRGKRZSA-N 322.409 -0.108 30 20 DBED C[C@H](C[C@@H](C)NC(=O)Cc1cnn(C)c1)NCC(=O)NCC#N 1133897329 SVLOGSADHDKNFL-VXGBXAGGSA-N 320.397 -0.525 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC2(CCN(C[C@H](O)COC)C2)C1 1147445404 FRYVXJARRHRJBN-ZFWWWQNUSA-N 312.410 -0.145 30 20 DBED C#CCOCCC(=O)N1CC2(CCN(CCn3cncn3)C2)C1 1147534735 KXZWLTLQBHWQFK-UHFFFAOYSA-N 317.393 -0.148 30 20 DBED C=CCOCCN1CCC2(C1)CN(C(=O)[C@@H]1CNC(=O)N1)C2 1148167205 BUNPTNZLJYCFMI-LBPRGKRZSA-N 308.382 -0.595 30 20 DBED C=CCCCN1CCCO[C@@H](CNC(=O)Cn2ncnn2)C1 1149739406 LZSOMQKKHIANTB-ZDUSSCGKSA-N 308.386 -0.154 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)Cn1ccccc1=O 1150604535 YDIOPGPDHVRWKW-LBPRGKRZSA-N 306.366 -0.755 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1ncc2n1CCCC2 1151580201 IQQYJJUSXLEHOI-UHFFFAOYSA-N 305.382 -0.159 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)Cc1cc(C)[nH]n1 1152755680 JCYSKKLCYMNBPF-CYBMUJFWSA-N 319.409 -0.163 30 20 DBED C=CCO[C@H](C)C(=O)NCCNCC(=O)NC[C@H]1CCCO1 1153134379 CHBDKWZOPKQZHE-CHWSQXEVSA-N 313.398 -0.422 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)c1cnc(OCC)cn1 1153752534 HYRNEERNLZKEHI-NSHDSACASA-N 321.381 -0.115 30 20 DBED CCn1nc(C)c(C(=O)NCCCNCC(=O)NCC#N)c1C 1168539271 BENIKPFSTKKWDG-UHFFFAOYSA-N 320.397 -0.131 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCCCN[C@@H](CC)C(N)=O 1170310547 JGVBITVZUXIBGB-STQMWFEESA-N 324.425 -0.346 30 20 DBED C#CCNCCCC[C@H](C)NC(=O)CN1CCN(C)C(=O)C1 1171603550 BESHQMXWWODLMI-AWEZNQCLSA-N 308.426 -0.342 30 20 DBED C#CCNC(=O)CN1CCO[C@H]2CCN(C(=O)C3CCC3)C[C@@H]21 1176875904 KBYRUIFIWLJZIB-GJZGRUSLSA-N 319.405 -0.162 30 20 DBED COCC#CCN1CCO[C@H]2CCN(C(=O)CNC(C)=O)C[C@H]21 1176892750 GVMNBFWLRMXOGO-CABCVRRESA-N 323.393 -0.926 30 20 DBED C#CCCN1CCO[C@H]2CCN(C(=O)CNC(=O)NC)C[C@H]21 1177025791 UPDMIRWWPJWOHL-OLZOCXBDSA-N 308.382 -0.760 30 20 DBED C=CCO[C@@H](C)C(=O)NCCCNCC(=O)NCCCOC 1177269100 DVWMXPOJYMYKEY-ZDUSSCGKSA-N 315.414 -0.174 30 20 DBED COCC(=O)NCCC(=O)N1C[C@H]2CC[C@H]1[C@H](CNCC#N)C2 1177783198 RMCSBNJVEVVVMF-IHRRRGAJSA-N 322.409 -0.121 30 20 DBED CC[C@@H](NC(C)=O)C(=O)N1CC[C@H](NCC(=O)NCC#N)[C@@H]1C 1179573649 GWYQUUJESLGPPH-UHTWSYAYSA-N 323.397 -0.880 30 20 DBED Cc1cccnc1C(=O)N1CC[C@@H](NCC(=O)NCC#N)C1 1181916762 GJSKAZXIIHGKJO-GFCCVEGCSA-N 301.350 -0.166 30 20 DBED COCC#CCNC[C@]1(C)CN(C(=O)[C@@H]2CCC(=O)N2)C[C@H]1C 1183208267 WTUJVSGNWROVNB-JKIFEVAISA-N 321.421 -0.011 30 20 DBED C=CCn1cc(C(=O)N2CC[C@@H](NCCOCCO)C2)nn1 1186177683 QSBNULNXQFULEI-GFCCVEGCSA-N 309.370 -0.723 30 20 DBED C=CCCN1C[C@@H]2CCN(C(=O)CS(=O)(=O)N(C)C)[C@@H]2C1 1189999164 NXRZUSKDYNJYEF-QWHCGFSZSA-N 315.439 -0.013 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 1190775529 HRRPHHJHQJCSOT-HOCLYGCPSA-N 322.453 -0.145 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C2[C@@H]3CCCC[C@@H]23)C1 1192029477 PYFOZCZRWPOIJJ-AAVRWANBSA-N 321.421 -0.114 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)c2ccn(C)c2)C1 1192205987 NLUWSTLMRCASBG-MRVWCRGKSA-N 320.393 -0.509 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 1192355284 QNXPXFKOICVCLO-GJZGRUSLSA-N 320.437 -0.390 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2nnc(C)o2)C[C@H]1O 1192885622 BIVGWMWDJVHTOZ-VXGBXAGGSA-N 308.338 -0.921 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)CN(C)C2CCC2)C1 1193821128 FJFZOZSYUFZGEU-HUUCEWRRSA-N 311.426 -0.165 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H](OC)c2cnn(C)c2)C1 1195030155 LKWLTCVWHVFYMY-MCIONIFRSA-N 306.366 -0.708 30 20 DBED C=CCOCC(=O)N1CCCN([C@H](C)C(=O)NC(N)=O)CC1 1195283723 HHNHDKIUTPWUGJ-LLVKDONJSA-N 312.370 -0.693 30 20 DBED COCC1(CC(=O)N2CCCN(CC(=O)NCC#N)CC2)CC1 1195780783 KPKUHVKVJKZLGB-UHFFFAOYSA-N 322.409 -0.023 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C(C)(C)CC=C)C1 1196467907 AUEPDVNHEREXFB-CHWSQXEVSA-N 307.394 -0.501 30 20 DBED Cc1cc(C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@H]2O)cs1 1196911769 SHCGTKVSHUJURA-VXGBXAGGSA-N 322.390 -0.529 30 20 DBED COCCn1nccc1C(=O)N1CCCO[C@@H](CNCC#N)C1 1200778811 WVOYKPSHOQWNLC-ZDUSSCGKSA-N 321.381 -0.126 30 20 DBED C#CCNC[C@@H]1CN(C(=O)C(C)(C)NC(=O)NCC)CCCO1 1201558424 ORKIWUNIWCATNX-CYBMUJFWSA-N 324.425 -0.076 30 20 DBED C#CCNCC1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)CC1 1205420038 ATTPBUDNSLGJDP-UHFFFAOYSA-N 318.377 -0.992 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)c2nn(C)cc2C)C1 1208008027 DDPROLJJOMMLDP-CYBMUJFWSA-N 317.393 -0.328 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCCN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1209134944 UJDGIBNBSOGYRD-XPABHHOTSA-N 319.405 -0.403 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)COCCC=C)C1 1211354650 CKCZODJRNYOLPW-CQSZACIVSA-N 307.394 -0.091 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)c2[nH]cnc2C)[C@H](C)C1 1211482374 RHBSPZOCPWTMSK-KGYLQXTDSA-N 317.393 -0.094 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)C(F)F)[C@H](OC)C1 1211741291 LIVZBAWJDAJEHT-OPRDCNLKSA-N 303.309 -0.795 30 20 DBED COCC#CCN1C[C@@H](NC(=O)c2cnsn2)[C@H](OC)C1 1211917893 OGMNGJWKJIQYES-VXGBXAGGSA-N 310.379 -0.383 30 20 DBED COCC#CCN1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@H](OC)C1 1212081822 WNWIHQAQIGDFLW-HUUCEWRRSA-N 316.361 -0.035 30 20 DBED CC(C)OCCC(=O)N1C[C@@H](NCC(=O)NCC#N)[C@H](C)C1 1214171082 JXERSOWYPRNDHZ-CHWSQXEVSA-N 310.398 -0.122 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2nc(C)c(C)o2)C[C@@H]1O 1219603317 XCMJFCHKZAKLBN-MCIONIFRSA-N 321.377 -0.009 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](NC(=O)[C@@H](C)NC(=O)COC)C1 1219684426 OAJLAVPURCDZQD-UPJWGTAASA-N 313.398 -0.735 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCCN(C(=O)Cn2ccnc2)C1 1222098781 PUWRYIHMRWMQLY-KBPBESRZSA-N 317.393 -0.398 30 20 DBED C=CCNC(=O)CN1CCC(CNC(=O)[C@@H]2CCC(=O)N2)CC1 1225216489 YUNHTBDYWMHWHZ-ZDUSSCGKSA-N 322.409 -0.605 30 20 DBED C#CCN1CCS(=O)(=O)[C@H](CCNC(=O)[C@@H]2CCOC2)C1 1230517739 WJLHSDBJWWPKMX-CHWSQXEVSA-N 314.407 -0.739 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 1257597009 YLINGHIOGCTPET-HUUCEWRRSA-N 317.389 -0.549 30 20 DBED C[C@H](NC(=O)C(=O)Nc1cccc(C#N)n1)[C@H]1CN(C)CCO1 1261460310 ZBDRJTGRTFLVCC-CMPLNLGQSA-N 317.349 -0.273 30 20 DBED N#CCC1CCN(C(=O)C(=O)N2CCOC[C@@H]2CCO)CC1 1262540047 RKNDJPLSWUWRDF-ZDUSSCGKSA-N 309.366 -0.252 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCC[C@H](NC(=O)c2[nH]nnc2C)C1 1267628779 BPZHCQGYRFDGCP-NEPJUHHUSA-N 320.397 -0.002 30 20 DBED N#CCn1cc(NC(=O)C(=O)NCCNc2cnccn2)cn1 1319350070 MSPNYZIWFHFIOZ-UHFFFAOYSA-N 314.309 -0.637 30 20 DBED N#C[C@]1(F)CCN(C(=O)C(=O)N[C@@H]2CCc3n[nH]cc3C2)C1 1322176847 LQRJJAXBPXHGMP-QMTHXVAHSA-N 305.313 -0.153 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCCN(C(=O)C(C)C)CC1 1323025278 AUJDHTALBXOBCH-UHFFFAOYSA-N 323.393 -0.531 30 20 DBED C=C(C)COCCNC(=O)C(=O)N1CC[C@@H](S(C)(=O)=O)C1 1324309047 NWRRPODLMFGTSH-LLVKDONJSA-N 318.395 -0.659 30 20 DBED C#CCSCCNC(=O)C(=O)NCCOC[C@@H]1CCCO1 1325957232 ZIUWOEZNDSUNBB-LBPRGKRZSA-N 314.407 -0.219 30 20 DBED N#CCCCNC(=O)CS(=O)(=O)CC(=O)NCCCC#N 1327095770 DVVAJXITFZOMSW-UHFFFAOYSA-N 314.367 -0.759 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)NC[C@@H]1COC(C)(C)O1 1328095032 BXQHVDUFHPUCRE-GFCCVEGCSA-N 312.366 -0.248 30 20 DBED C#CCOCCNC(=O)C(=O)N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1329098704 JFDYKRXTGXHNIZ-ZJUUUORDSA-N 322.283 -0.069 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CC[C@@H]2NC(=O)CC[C@@H]2C1 1334157804 UXICKEGKNCPTPH-UTUOFQBUSA-N 309.366 -0.569 30 20 DBED C#CC1CCN(c2nnnn2CCCN2C(=O)CNC2=O)CC1 1334338478 ZVTCMPHVHUXHOK-UHFFFAOYSA-N 317.353 -0.535 30 20 DBED N#C[C@H]1CCCN(C(=O)C(=O)N2CC[C@H](C3OCCO3)C2)C1 1336487935 FAYLTOUPNLPTKD-NEPJUHHUSA-N 307.350 -0.030 30 20 DBED C#C[C@@H](NC(=O)C(=O)Nc1cnc2ccnn2c1)[C@@H]1CCCO1 1336673322 QIAVNIVWNUDXJW-NEPJUHHUSA-N 313.317 -0.035 30 20 DBED Cc1cc(=NC(=O)C(=O)N2CCN(CCC#N)CC2)cc[nH]1 1337430175 DFSZYJWLWNRWJT-UHFFFAOYSA-N 301.350 -0.192 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@H]([C@@H](C)O)C2)C1=O 1337483381 QPBWZAPMMLBHPW-ZJUUUORDSA-N 309.322 -0.808 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N1CCOC[C@H]1CCO 1341709209 UPYOMPXAEFPLHX-QWHCGFSZSA-N 312.366 -0.859 30 20 DBED CC1(NS(=O)(=O)CCCS(=O)(=O)NC2(C#N)CC2)CC1 1346577386 PCAFJTOBGVKRLF-UHFFFAOYSA-N 321.424 -0.176 30 20 DBED CC(C)(C)n1nnc(C=NNC2CCS(=O)(=O)CC2)n1 1347222508 FRDQWWOLIJYWGV-UHFFFAOYSA-N 300.388 -0.071 30 20 DBED N#CC[C@@H]1CCCN(C(=O)C(=O)NCCCn2cncn2)C1 1349087079 CKIBIVJKUQDFDS-LBPRGKRZSA-N 304.354 -0.063 30 20 DBED C#CC1CCN(C(=O)C(=O)NCc2ccc(C(N)=O)o2)CC1 1349248687 GCJWXPSDXHLVFO-UHFFFAOYSA-N 303.318 -0.134 30 20 DBED C=CCOCCCC(=O)N(C)Cc1nnc2n1CCNC2=O 1350452867 VCCRLCYJFRBART-UHFFFAOYSA-N 307.354 -0.037 30 20 DBED C#CCn1cc(CNC(=O)[C@H]2CCc3nnc(O)n3C2)cn1 1358160230 YMHMDBQEZYPZRJ-NSHDSACASA-N 300.322 -0.308 30 20 DBED C[C@H](CNC(=O)Cn1cc(C#N)c(O)nc1=O)CN1CCCC1 1361874326 BDVKFIDNUMHCBW-LLVKDONJSA-N 319.365 -0.331 30 20 DBED N#Cc1cn(CCC(=O)N2CCOCC23CC3)c(=O)nc1O 1362444327 KLNWLILYSPKAGF-UHFFFAOYSA-N 304.306 -0.398 30 20 DBED N#Cc1cc(F)c(S(=O)(=O)N[C@@H]2COC[C@@H]2O)c(F)c1 1364025418 SMPHYOXALNUNDS-ZJUUUORDSA-N 304.274 -0.126 30 20 DBED Cn1c(N[C@H](CO)C[C@@H]2CCCO2)c(C#N)c(=O)n(C)c1=O 1364253855 UQYTWFCHOYIYAW-UWVGGRQHSA-N 308.338 -0.702 30 20 DBED CNC(=O)N[C@H]1CCCN(C(=O)[C@H](C)n2cnc(C#N)n2)C1 1364787377 BKZQSBSMBALHPX-UWVGGRQHSA-N 305.342 -0.369 30 20 DBED C[C@@H](C#N)C(=O)NC1(C)CCN([C@H](C)C(=O)NC(N)=O)CC1 1368111851 JCTDJNXIUIYWOX-VHSXEESVSA-N 309.370 -0.300 30 20 DBED CCN(CCC#N)C(=O)CN[C@@H]1C[C@H](C)N(C(=O)COC)C1 1369402086 IRYHZFUSKUYHDU-QWHCGFSZSA-N 310.398 -0.026 30 20 DBED Cc1nnc(O)c(C(=O)N2CC(NC(=O)[C@H](C)C#N)C2)c1C 1389402954 LNUAGIIIJGEDCO-SSDOTTSWSA-N 303.322 -0.101 30 20 DBED CNC(=O)NCCC(=O)NC[C@@H](C)NC(=O)c1ccc(C#N)[nH]1 1397429752 KPNOAGNTADZWIW-SECBINFHSA-N 320.353 -0.560 30 20 DBED N#Cc1ccc(C(=O)N2CC(NC(=O)CO[C@@H]3CCOC3)C2)[nH]1 1398597043 RWCUUZRFVJHQMS-GFCCVEGCSA-N 318.333 -0.368 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNCc1nnc2n1CCCCC2 1401494470 KGLORAKNMSEEHZ-RYUDHWBXSA-N 320.397 -0.269 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@](C)(NC(=O)CCn2cncn2)C1 1410980661 PSMNRNUDUZRLJE-FZMZJTMJSA-N 304.354 -0.065 30 20 DBED CCN(CC)C(=O)CN(C)C(=O)Cn1cc(C#N)c(O)nc1=O 1412374540 PLMBCLRQCQTMRN-UHFFFAOYSA-N 321.337 -0.853 30 20 DBED Cn1c(=O)[nH]c(N(CCO)CCc2ccccc2)c(C#N)c1=O 1412867504 ASNIVMQAZOHWNY-UHFFFAOYSA-N 314.345 -0.013 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)CN(C)CC(C)(C)C)C1 1414066811 XYWHXLYQJCHDBG-XQQFMLRXSA-N 324.425 -0.188 30 20 DBED C[C@@H](C#N)C(=O)NC1(C)CCN(C(=O)[C@H]2CCC(=O)N2)CC1 1417285315 PFUHVNHBJPJGRQ-WDEREUQCSA-N 306.366 -0.078 30 20 DBED CCN(CCNC(=O)[C@@H](C)C#N)CC(=O)N1CCO[C@H](C)C1 1420369784 NUJJTYSBJVFIKD-QWHCGFSZSA-N 310.398 -0.169 30 20 DBED CC(C)C[C@@H](CNC(=O)[C@H](C)C#N)NC(=O)CCNC(N)=O 1433009332 GOYDLAMSJPOTLE-MNOVXSKESA-N 311.386 -0.148 30 20 DBED N#CC[C@]1(O)CCN(C(=O)NC2CN(c3ccncn3)C2)C1 1434831699 WDIVRVDOWYAAMA-AWEZNQCLSA-N 302.338 -0.275 30 20 DBED C=C(Cl)CNC[C@H](O)CNC(=O)C[C@@H]1CCN(C)C1=O 1445181095 DVKXJNIJZZSKCL-QWRGUYRKSA-N 303.790 -0.326 30 20 DBED Cc1ncccc1CC(=O)NC[C@@H](O)CNC(=O)[C@@H](C)C#N 1452401159 BDVPJLMXVLPGDK-GXFFZTMASA-N 304.350 -0.315 30 20 DBED C[C@H](CNC(=O)CS(C)(=O)=O)NC(=O)c1ccc(C#N)[nH]1 1454566177 VXWLCAWEGVCEQI-MRVPVSSYSA-N 312.351 -0.835 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1C[C@@H](NC(=O)c2ccc(=O)n(C)n2)C1 1489846006 MXDXPEGEPMEDRU-MXWKQRLJSA-N 317.349 -0.435 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)[C@@H]2CCCCN2C(N)=O)CC1 1506212875 KZFQDTQFNVWQQB-MNOVXSKESA-N 321.381 -0.156 30 20 DBED CNC(=O)NCCC(=O)N(C)[C@H](CNC(=O)[C@@H](C)C#N)C1CC1 1510352041 IGXWKEDONIXHOA-CMPLNLGQSA-N 323.397 -0.182 30 20 DBED COCC(=O)N(C)CC(=O)N1CC[C@H](CNC(=O)[C@H](C)C#N)C1 1527189018 PUQOPKQTUZAQCP-VXGBXAGGSA-N 324.381 -0.784 30 20 DBED COCCn1cc(C(=O)N2CC(NC(=O)[C@@H](C)C#N)C2)c(C)n1 1530617923 ZYMVWAJDPQPPEO-JTQLQIEISA-N 319.365 -0.062 30 20 DBED C[C@@H](C(=O)Nc1cccc(-c2nn[nH]n2)n1)n1cnc(C#N)n1 1573756199 NPTWEUSCTYNDRA-ZETCQYMHSA-N 310.281 -0.075 30 20 DBED C#CCN1CCC(N(Cc2cnn[nH]2)C(=O)c2cnon2)CC1 1574985866 NIXROGXELIVNJV-UHFFFAOYSA-N 315.337 -0.072 30 20 DBED N#C[C@@H]1CNCC12CC(C(=O)N1CCN3C(=O)NC[C@H]3C1)C2 1580042680 ZJBLADPBEAZPKA-OOLXCHQQSA-N 303.366 -0.638 30 20 DBED N#C[C@@H]1CNC[C@@H]1NC(=O)Cc1csc(N2CCOCC2)n1 1580043102 HZNRHPSMMSUMDD-PWSUYJOCSA-N 321.406 -0.250 30 20 DBED C#CCN1CCCN(C(=O)CN2CCC[C@H](C(=O)O)C2=O)CC1 1588477576 VBODZNYBQVRWEW-ZDUSSCGKSA-N 321.377 -0.523 30 20 DBED C=CC[C@H](C(=O)O)N1CCS(=O)(=O)C[C@@H]1CC(=O)OC 1588732204 WGAJXSGNFDLTOQ-VHSXEESVSA-N 305.352 -0.322 30 20 DBED C[C@@H](O)[C@@H]1CN(c2cnc(C#N)c(-c3nn[nH]n3)n2)CCO1 1589998020 ZKKCWDLSGNAYIS-APPZFPTMSA-N 302.298 -0.886 30 20 DBED C[C@H](CC(=O)O)C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1592336055 BYXKXXLXGIVYQK-SSDOTTSWSA-N 306.278 -0.685 30 20 DBED Cn1nc(N)c2c1CN(c1cnc(C#N)c(-c3nn[nH]n3)n1)C2 1592594718 AJWNVAXUSRKXNN-UHFFFAOYSA-N 309.297 -0.636 30 20 DBED CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@H]1C(=O)NCC(=O)O 1596229730 HHJWWNDRAGXMCZ-NEPJUHHUSA-N 324.381 -0.340 30 20 DBED C#CCN(CC(=O)O)C(=O)N[C@@H]1CCN(C2CCN(C)CC2)C1 1602683386 CQHXHDWLUZXWPO-CYBMUJFWSA-N 322.409 -0.116 30 20 DBED C#CC[C@@H](CO)NS(=O)(=O)Cc1cccc(-c2nn[nH]n2)c1 1602698088 YLESTZAZNHSDDI-LBPRGKRZSA-N 321.362 -0.330 30 20 DBED C[C@@](C#N)(NC(=O)CN1C[C@@H]2COC[C@]2(C(=O)O)C1)C1CC1 1602781964 MMIFHIUGAZTMMY-BYCMXARLSA-N 307.350 -0.172 30 20 DBED C=CCN1CC[C@H](NC2(C(=O)O)CCS(=O)(=O)CC2)C1=O 1602901232 CNERARBSEGTZBR-JTQLQIEISA-N 316.379 -0.605 30 20 DBED CN(CCC#N)S(=O)(=O)N[C@@H](Cc1cncs1)C(=O)O 1606106003 SZVGWGRGLGWCHT-VIFPVBQESA-N 318.380 -0.181 30 20 DBED N#Cc1nc(NCC(=O)NC2CCCC2)cnc1-c1nn[nH]n1 1606393107 OFBPCDQHIAUSOW-UHFFFAOYSA-N 313.325 -0.001 30 20 DBED C=CCOC[C@H](NC(=O)c1ccc(S(N)(=O)=O)o1)C(=O)O 1609442996 NRSWBHOFKAPOQL-ZETCQYMHSA-N 318.307 -0.687 30 20 DBED N#C[C@@]1(F)CCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)nc2)C1 1609494641 IZYSGZUCHIZTSC-NSHDSACASA-N 323.313 -0.112 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC[C@@H]1CNCCN1CCNC1=O 1715208888 OKIOJSCWPPNLNE-UONOGXRCSA-N 322.409 -0.370 30 20 DBED C#CCNC(=O)[C@@H](C)N(CC)CCCNC(=O)c1ncn(C)n1 1752181325 UOOUFAARBQAMQT-GFCCVEGCSA-N 320.397 -0.605 30 20 DBED C=CCNC(=O)CN[C@H]1C[C@H](NC(=O)[C@H]2CC(=O)N(CC)C2)C1 1752634522 NJJLZRPPBLZONH-AVGNSLFASA-N 322.409 -0.606 30 20 DBED COCC#CCN1CC(CNC(=O)[C@@H]2CCCc3nn[nH]c32)C1 1753410591 JYEUAPJCPCWVCM-CYBMUJFWSA-N 317.393 -0.078 30 20 DBED COc1ccc(C(=O)NCC2(NCC#N)CCOCC2)nn1 1754740926 SLBAGOAZDRJPFM-UHFFFAOYSA-N 305.338 -0.123 30 20 DBED CN(C)CCC(=O)N1CC[C@H](CCNCC(=O)NCC#N)C1 1754930173 FCQNXMBGKIVGCI-ZDUSSCGKSA-N 309.414 -0.594 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)[C@@H]2[C@H]3COC[C@H]32)C[C@H]1C 1755163170 DPMVQTJAAMGVNX-AQRJEWBLSA-N 319.405 -0.403 30 20 DBED C#CCN(C)C[C@H]1CCCN1C(=O)COCc1nncn1C 1755201089 NUXDRIOGVJQWRD-CYBMUJFWSA-N 305.382 -0.112 30 20 DBED C[C@H](CN(C)C(=O)C(C)(C)N1CCCC1)NCC(=O)NCC#N 1755598825 AIPDKJPMTPBGSP-CYBMUJFWSA-N 323.441 -0.063 30 20 DBED C[C@@H]1C[C@H](NCC(=O)NCC#N)CN1C(=O)c1ccncc1 1755668271 BYNNBZPSGDULKX-YPMHNXCESA-N 301.350 -0.086 30 20 DBED COCC#CCNC[C@@H](O)CN(C)C(=O)Cn1nccc1C 1755789122 GYDJPGRYYJTZIZ-CQSZACIVSA-N 308.382 -0.750 30 20 DBED CC(C)C#CC(=O)N(C)C[C@H](O)CNC(=O)c1cnn(C)n1 1756661806 FYTFIDFUIJHFAZ-LLVKDONJSA-N 307.354 -0.976 30 20 DBED CCCOCC(=O)N1C[C@H](O)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 1757167599 XTIJIFYUZGPYDC-OLZOCXBDSA-N 320.349 -0.386 30 20 DBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncc[nH]3)C2)C1 1839807108 MRVVAIOBYZAQGA-HNNXBMFYSA-N 318.333 -0.887 30 20 DBED CN[C@@H](CC(=O)N1CC2(CCCN2C(=O)CCC#N)C1)C(=O)O 1842812897 SJNGUUXKQGKUNP-NSHDSACASA-N 322.365 -0.444 30 20 DBED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)C(N)=O)c1 53397212 AGXZSLVLQNHDQB-VIFPVBQESA-N 309.347 -0.798 30 20 DBED C=CCN1CCC(NC(=O)c2cn(CC(=O)N(C)C)nn2)CC1 171714358 ZUNANFFBWOGETP-UHFFFAOYSA-N 320.397 -0.254 30 20 DBED C#CCOc1cc(F)ccc1NC(=O)C(=O)NCC(=O)N(C)C 266534174 GQIVRRSIWILDFV-UHFFFAOYSA-N 321.308 -0.019 30 20 DBED C#CCN(CC)CC(=O)c1c(N)n(CC(C)C)c(=O)n(C)c1=O 266882518 ANXNOZPCWJBIID-UHFFFAOYSA-N 320.393 -0.077 30 20 DBED C#Cc1cccc(NC(=O)CNC(=O)C2(NC(N)=O)CC2)c1 271126863 UFHVPFPXVVOGLX-UHFFFAOYSA-N 300.318 -0.077 30 20 DBED CNC(=O)[C@@H]1CN(S(=O)(=O)Cc2cccc(C#N)c2)CCO1 272774843 NEASQKIGCIVDOO-ZDUSSCGKSA-N 323.374 -0.165 30 20 DBED CN(C)S(=O)(=O)CCN1CCN(c2cc(C#N)ccn2)CC1 286034437 QBVVNMWIHKFBNY-UHFFFAOYSA-N 323.422 -0.033 30 20 DBED CN(C)S(=O)(=O)NCCNC(=O)NCC#Cc1ccccc1 294280581 RYSBFQXLEAZICW-UHFFFAOYSA-N 324.406 -0.267 30 20 DBED CS(=O)(=O)[C@H]1CCN(/C(O)=N/CCCN2CCOCC2)C1 330406123 IECQUJBDINEBKI-LBPRGKRZSA-N 319.427 -0.258 30 20 DBED C/N=C(/O)NCC(=O)N1CCN(CCC(=O)OC)[C@H](C)C1 331293006 BUMKXVJNTQPVNR-SNVBAGLBSA-N 300.359 -0.784 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CCN(CCOC)CC1 336915524 MJIOLJHTTKMLLL-UHFFFAOYSA-N 304.416 -0.269 30 20 DBED C[C@H](O)[C@@H]1CCCCN1S(=O)(=O)N1CCO[C@H](C#N)C1 336929561 ANGZAHIXCMHJTN-TUAOUCFPSA-N 303.384 -0.309 30 20 DBED CC(C)(C)[C@H](CCO)NS(=O)(=O)N1CCO[C@@H](C#N)C1 337101224 VYMXMJMOCKQJDS-QWRGUYRKSA-N 305.400 -0.158 30 20 DBED CN(CCC#N)S(=O)(=O)NC[C@H]1CCCN1S(C)(=O)=O 338152737 MDENEWZPJDFCOH-SNVBAGLBSA-N 324.428 -0.910 30 20 DBED N#C[C@H]1CN(S(=O)(=O)N2CCC[C@]23CCOC3)CCO1 341076377 JHHIDSXOAOGRQY-NWDGAFQWSA-N 301.368 -0.290 30 20 DBED N#Cc1ccc(OCC(=O)NCCCN2C(=O)CNC2=O)cc1 341865627 IQIHVNIHXJVQHI-UHFFFAOYSA-N 316.317 -0.005 30 20 DBED CCNS(=O)(=O)c1ccc(C(=O)NCC(=O)NCC#N)cc1 343518965 MWHKZCFBGQGGKF-UHFFFAOYSA-N 324.362 -0.646 30 20 DBED CN1C(=O)c2ccc(S(=O)(=O)N(CC#N)CC#N)cc2C1=O 350660405 NWVQAJVGMDNTNJ-UHFFFAOYSA-N 318.314 -0.050 30 20 DBED N#CCCN(CCC#N)C(=O)CN1C[C@@H]2[C@H](CCS2(=O)=O)C1 353113518 SXPNOPXBXPTSMM-CHWSQXEVSA-N 324.406 -0.239 30 20 DBED C=CCNC(=O)CN1CCN(CC(=O)N=c2cc[nH]cc2)CC1 354127465 FBSUKUQCQQIYRA-UHFFFAOYSA-N 317.393 -0.638 30 20 DBED C[C@H]1CN(C(=O)c2cnn(C)c2C#N)CCN1S(C)(=O)=O 356705681 SUJSTYYLPAKJMM-VIFPVBQESA-N 311.367 -0.602 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2C[C@@]23CCOC3)CC1 490972646 HDOXDYWWDMVEDJ-RHSMWYFYSA-N 319.405 -0.303 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)NCCN1CCO[C@H](C)C1 548983069 PBHLUYIFJMHYTK-NWDGAFQWSA-N 304.416 -0.225 30 20 DBED CCN(CCO)C(=O)CNS(=O)(=O)c1cccc(C#N)c1 551918735 KBZGQFWLYJIVMB-UHFFFAOYSA-N 311.363 -0.323 30 20 DBED C=CCN(CC=C)[C@H](CNC(=O)C(=O)NC1CNC1)C(C)C 570030508 SXQGRIBDIHUMEG-CQSZACIVSA-N 308.426 -0.111 30 20 DBED CC(C)(C)[C@@H](C#N)NC(=O)c1nc(N)nc(N2CCOCC2)n1 573450478 SZGIBXNPWIJOLT-SECBINFHSA-N 319.369 -0.042 30 20 DBED CN(CC(=O)N[C@@H]1C[C@H]1CO)S(=O)(=O)c1ccc(C#N)cc1 574711303 ATNXCDMYHRYECQ-WCQYABFASA-N 323.374 -0.324 30 20 DBED N#C[C@@H]1CN(C(=O)[C@@H]2CCCO2)CCN1C(=O)[C@H]1CCCO1 585125223 KSOSQGIFHSXIQO-FRRDWIJNSA-N 307.350 -0.093 30 20 DBED COCCN(CC#N)C(=O)c1oc(S(N)(=O)=O)cc1C 597754909 JPSFYJFJNSQQRF-UHFFFAOYSA-N 301.324 -0.152 30 20 DBED N#CCCN1CCN(C(=O)C(=O)NCc2nccs2)CC1 602235694 LDJIWQIXXWDXHW-UHFFFAOYSA-N 307.379 -0.183 30 20 DBED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2C(=O)CN(C)C2=O)CC1 603673966 HEUCIVPEXXSIKJ-GFCCVEGCSA-N 321.381 -0.427 30 20 DBED Cn1cc(C#N)c(NC(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)n1 611519469 STMWPFCDKWXARV-MRVPVSSYSA-N 303.282 -0.940 30 20 DBED CN(CC#CCN(C)Cc1cn(C)nn1)Cc1cn(C)nn1 661746087 VVBKFMMMMGCTJJ-UHFFFAOYSA-N 302.386 -0.489 30 20 DBED CC(=O)NCC(=O)NCC(=O)OCc1ccc(OCC#N)cc1 733455388 BUXBGKXIQKEAKN-UHFFFAOYSA-N 319.317 -0.116 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)[C@@H](NC(=O)C(C)(C)C)[C@H](C)O 745697897 BVIRZICABGJXMH-DCAQKATOSA-N 312.366 -0.421 30 20 DBED C#CCN1CCN(C(=O)CN2CCN(C(C)(C)CO)CC2)CC1 748817180 MCMSTAVIAQSIBC-UHFFFAOYSA-N 322.453 -0.848 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)OC[C@@H]2COC(=O)O2)C1=O 763957359 ZFDCYYHEUCBKLC-SSDOTTSWSA-N 312.234 -0.958 30 20 DBED CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C(C)C 771896795 IRBXEVBBXCQIPF-UHFFFAOYSA-N 302.356 -0.606 30 20 DBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCCS(C)(=O)=O 788390701 JWQGVPXWWSRDLJ-QWRGUYRKSA-N 318.395 -0.755 30 20 DBED C=CCN1CC[C@H](OC(=O)C(C)(C)NS(C)(=O)=O)C1=O 798632847 RMHSEHQJDSZJKQ-VIFPVBQESA-N 304.368 -0.356 30 20 DBED N#CCCNC(=O)COC(=O)c1cncc(-n2ccnn2)c1 801883576 KMBAQHBEUYCTOX-UHFFFAOYSA-N 300.278 -0.151 30 20 DBED C=C[C@H](O)C(=O)O[C@@H](C)C(=O)N(CC)[C@@H]1CCS(=O)(=O)C1 814546029 TWTDKXJXOGDNFX-AXFHLTTASA-N 319.379 -0.499 30 20 DBED C=CCCn1cc(C(=O)OCCNS(=O)(=O)CC)nn1 820977325 ZKNMBPFKLYWWPI-UHFFFAOYSA-N 302.356 -0.050 30 20 DBED N#C[C@@H]1CNC[C@@H]1NC(=O)c1cnc2nc(O)nc(O)c2c1 834489236 LAYKFOJJEWVQQT-APPZFPTMSA-N 300.278 -0.723 30 20 DBED N#C[C@@H]1CNC[C@@H]1NC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O 834499725 MAIPBNNAGNWEDD-KKOKHZNYSA-N 304.350 -0.611 30 20 DBED CS(=O)(=O)N1CC[C@H](NC(=O)NCc2ccc(C#N)cn2)C1 845134129 YVRHJHZOULWRJZ-LBPRGKRZSA-N 323.378 -0.214 30 20 DBED N#Cc1c(NCCN2CC[C@H](O)C2)cccc1S(N)(=O)=O 858867344 NFWFEGMJBCFPCS-JTQLQIEISA-N 310.379 -0.316 30 20 DBED C#CCNS(=O)(=O)N1CCN(C[C@@H]2CCO[C@H]2C)CC1 878314220 LUENLGSKSYSOJT-STQMWFEESA-N 301.412 -0.503 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 931873942 BVYWQRPKJBCASQ-AQRJEWBLSA-N 317.389 -0.697 30 20 DBED C=CCn1cc(C(=O)N(C)[C@H]2CCN(C(=O)COC)C2)nn1 936383135 CKIXYDQGLMHLSE-NSHDSACASA-N 307.354 -0.217 30 20 DBED CO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)[C@H]1CCCO1 941121655 MPFXAJQMYCPDDR-MGPQQGTHSA-N 306.362 -0.079 30 20 DBED N#Cc1cc(C(=O)N2CC[C@@H](NC(=O)[C@@H]3CCNC3=O)C2)c[nH]1 942001567 LRQBOAIHXZLDMI-ZYHUDNBSSA-N 315.333 -0.647 30 20 DBED C[C@H](C#N)C(=O)N1CCCC[C@H](NC(=O)Cn2cnnn2)C1 943076735 ZBEKXQPIDYFWQI-MNOVXSKESA-N 305.342 -0.670 30 20 DBED N#Cc1cc(C(=O)NC[C@H]2CCCC[C@H]2NC(=O)C(N)=O)c[nH]1 946429062 ZFTSRTYDGZQYDG-BXKDBHETSA-N 317.349 -0.224 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(C)(NC(=O)[C@@H]2CN(C)C(=O)N2)CC1 956446056 PVZTWUNUWXCHRW-QWRGUYRKSA-N 321.381 -0.333 30 20 DBED C=CCN1C[C@@H](O)[C@@H](CNC(=O)c2cnc(N(C)C)cn2)C1 958070226 YJDVJHPUGOCMEC-WCQYABFASA-N 305.382 -0.249 30 20 DBED CC#CCN1C[C@H](CNC(=O)c2n[nH]c3c2CCC3)[C@@H](O)C1 958210614 OXNOEOSVQBPXHV-FZMZJTMJSA-N 302.378 -0.056 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](CNC(=O)c2cn(C)c(=O)cn2)C1 958271597 HEACEYQHNQDRJK-DGCLKSJQSA-N 306.366 -0.621 30 20 DBED C=CCCN1C[C@@H](O)[C@H](CNC(=O)c2c[nH]c(C(N)=O)c2)C1 958683116 DMNSITJBWXPVHL-DGCLKSJQSA-N 306.366 -0.288 30 20 DBED C#CCCN1C[C@@H](O)[C@@H](CNC(=O)C2CCN(CC#C)CC2)C1 958723907 KJECISJKJPXNJG-DLBZAZTESA-N 317.433 -0.236 30 20 DBED Cc1n[nH]cc1C(=O)N(C)[C@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1O 958908781 SFMBHORCXLHFNJ-UWJYBYFXSA-N 305.338 -0.479 30 20 DBED Cc1c(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)cnn1C 961583153 KBWBOHXRPSXCQW-FXAINCCUSA-N 305.338 -0.810 30 20 DBED C#CCCN1C[C@H]2[C@H](NC(=O)Cn3nnnc3C(C)C)[C@H]2C1 961988605 WCPOKJNCLHCBIK-IMRBUKKESA-N 302.382 -0.134 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](C)[C@@H](NC(=O)c2nnn(C)n2)C1 966669712 RIXURRZOXFULCQ-ZJUUUORDSA-N 306.370 -0.001 30 20 DBED CCc1nn(C)cc1C(=O)N[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1O 966882382 OCKKNTWASDOUOR-WQAKAFBOSA-N 319.365 -0.556 30 20 DBED CC#CCN1CC[C@@H](C)[C@H](NC(=O)Cn2ccc(O)nc2=O)C1 967268883 ONGDYRHEJKBRML-CHWSQXEVSA-N 318.377 -0.201 30 20 DBED C[C@@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)[C@H]1CN(C)CCO1)C2 969807643 RVESVAADBMVZIV-XDQVBPFNSA-N 320.393 -0.322 30 20 DBED C#CCCN1C[C@@H]2C(CNC(=O)C3CC(=O)NC(=O)C3)[C@H]2C1 978856435 MYDCGQLFIMJIKE-CHWSQXEVSA-N 303.362 -0.644 30 20 DBED N#CCN1C[C@H]2C[C@H](NC(=O)Cn3c(O)nnc3O)CC[C@H]2C1 980233796 UZRGVFDXPVFGQO-HBNTYKKESA-N 320.353 -0.570 30 20 DBED N#CCN[C@H]1CCC[C@H](NC(=O)c2nccnc2C(N)=O)C1 981510230 NXMKTMWEUVPABH-UWVGGRQHSA-N 302.338 -0.270 30 20 DBED C[C@H]1[C@@H](NCc2nnnn2C)CCN1C(=O)c1ccc(C#N)[nH]1 986189636 XEYDPYGRXCWMRC-ONGXEEELSA-N 314.353 -0.197 30 20 DBED C#CCN[C@H]1C[C@@H](C)N(C(=O)CN2C(=O)NC(=O)C2(C)C)C1 989647235 UGHWWUBUUSSOFR-MNOVXSKESA-N 306.366 -0.471 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC(NC(=O)[C@H]3COCCO3)C2)c1 990275408 KHGVIBMFQFHFDG-GFCCVEGCSA-N 304.306 -0.758 30 20 DBED COC(=O)[C@H]1C[C@H]1C(=O)NC1CN(C(=O)c2ccc(C#N)[nH]2)C1 990469178 NTWHPGHDXVDALT-MNOVXSKESA-N 316.317 -0.364 30 20 DBED N#Cc1ccc(C(=O)NC2CN(C(=O)[C@]3(F)CCOC3)C2)[nH]1 990869547 ZSKFTEVQIGGMDP-AWEZNQCLSA-N 306.297 -0.044 30 20 DBED C#CCN1CC[C@]2(NC(=O)CN3CCOCC3=O)CCC[C@H]12 991071504 YTIWNWCQUFSMFI-XJKSGUPXSA-N 305.378 -0.408 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@H](NC(=O)C(F)F)[C@H](O)C2)[nH]1 991152289 AHTLBYYRWZDYJR-WCBMZHEXSA-N 312.276 -0.157 30 20 DBED O=C(N[C@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1O)c1cccnn1 991700997 AHZYWCDTEWAJDT-JSGCOSHPSA-N 314.345 -0.418 30 20 DBED CN1C[C@H](C(=O)NC2CN(C(=O)c3c[nH]c(C#N)c3)C2)CC1=O 993783113 CRMBERFFBPEFSG-SNVBAGLBSA-N 315.333 -0.695 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN(C(=O)Cc2ccc[nH]2)C1 994755092 PWGWIJCURZRUFD-HNNXBMFYSA-N 314.389 -0.018 30 20 DBED C=C(C)CNC1CC(N(C)C(=O)Cn2ccc(=O)n(C)c2=O)C1 998867897 SVZJGEVZVJBGFW-UHFFFAOYSA-N 320.393 -0.298 30 20 DBED C#Cc1cncc(C(=O)NC2CN(C(=O)CCn3ccnn3)C2)c1 999305510 YOJNITLLMZHSJJ-UHFFFAOYSA-N 324.344 -0.315 30 20 DBED C#Cc1ccc(C(=O)N2CC(NC(=O)Cn3cncn3)C2)cc1 1000121139 OXCZVKQTUVYHPU-UHFFFAOYSA-N 309.329 -0.100 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C(N)=O)nc1 1004747936 MSLHIQHJVAXQPC-RTXFEEFZSA-N 312.329 -0.590 30 20 DBED Cn1cnc(C(=O)NCC2[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]23)n1 1009021061 LPWKKHIEPZSLNQ-STQMWFEESA-N 313.361 -0.337 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2C(CNC(=O)c3c[nH]c(=O)cn3)[C@@H]2C1 1009438961 OKUKVZZVXNJFCN-MIMYLULJSA-N 315.333 -0.636 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 1015788085 BDCLJFCOEIIBMQ-NSHDSACASA-N 306.366 -0.536 30 20 DBED C=CCCn1cc(C(=O)N[C@H]2CCN(CC(=O)N(C)C)C2)nn1 1015820276 FHMLBWVALSETJJ-LBPRGKRZSA-N 320.397 -0.254 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2nc(O)nc(O)c2OC)C1 1015989714 XCLKTENFPFFWHT-VIFPVBQESA-N 306.322 -0.276 30 20 DBED CC#CCN1CC[C@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)C1 1016174574 LZTVWYMWMXHNJE-NSHDSACASA-N 306.366 -0.469 30 20 DBED CC(=O)N1CCC[C@H](N2CCN(C(=O)[C@H](C)C#N)CC2=O)C1 1017853093 XIJXKYBBTVZUAU-YPMHNXCESA-N 306.366 -0.172 30 20 DBED C[C@@H](C#N)C(=O)N1CCCO[C@@H](CNC(=O)c2cnnn2C)C1 1019577162 OVTXZWLMZKXZEF-QWRGUYRKSA-N 320.353 -0.678 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@@H](CNCc3nc(O)n[nH]3)C2)c1 1026760430 YHYLVVXWCBQJTQ-VIFPVBQESA-N 315.337 -0.038 30 20 DBED Cn1nnnc1CN1CCC[C@@H]1CNC(=O)c1cc(C#N)c[nH]1 1027812042 CQECPOKWUBPZHD-LLVKDONJSA-N 314.353 -0.196 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN([C@H]2CCCNC2=O)C1 1030464084 GICABSHJZDKIDR-KBPBESRZSA-N 304.394 -0.837 30 20 DBED CNC(=O)[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C#N)c[nH]1 1032339305 LHVWUBWAOXSSIS-DLOVCJGASA-N 301.350 -0.080 30 20 DBED C=CCCn1cc(C(=O)N2C[C@@H]3C[C@H]2CN3CC(N)=O)nn1 1032675220 MRLYUHIYENOTNH-QWRGUYRKSA-N 304.354 -0.762 30 20 DBED N#CCN1CC2(CCN(C(=O)c3nccnc3C(N)=O)CC2)C1 1035849255 VDPMJMTWUDEXMW-UHFFFAOYSA-N 314.349 -0.363 30 20 DBED C#CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)CN1C(=O)CC(C)(C)C1=O 1037408759 YUHAOIQQMPFFKW-UHIISALHSA-N 303.362 -0.406 30 20 DBED CC#CCCCC(=O)NC[C@@]1(O)CCN(C(=O)c2nc[nH]n2)C1 1040607271 URBMWSUUZZYKHB-HNNXBMFYSA-N 319.365 -0.309 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(O)(CNC(=O)c2ccon2)C1 1041699040 KXROCWQQYPSQCA-ZDUSSCGKSA-N 309.322 -0.695 30 20 DBED COC1(CC(=O)NCC2(O)CN(C(=O)[C@@H](C)C#N)C2)CCC1 1042797566 PQFGVIHTZNDVPB-NSHDSACASA-N 309.366 -0.205 30 20 DBED CO[C@@H](C(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1)C(C)C 1042960199 ICJUAWWYZLFQHS-CQSZACIVSA-N 308.378 -0.240 30 20 DBED CCC[C@@H](OC)C(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042964491 GTBWOBVEDNPQSL-CYBMUJFWSA-N 308.378 -0.096 30 20 DBED Cc1nc[nH]c1C(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042965213 XQXUHPYREDJTLO-UHFFFAOYSA-N 302.334 -0.565 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)/C=C/C2CC2)C1 1043032797 IISPFAVYPNRAKH-AATRIKPKSA-N 306.362 -0.318 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)[C@H](C)OCC=C)C1 1043041762 KEZSMANLSWMKHA-OLZOCXBDSA-N 324.377 -0.695 30 20 DBED CC#CCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCN(C)C2)C1 1043121200 XOBVQBHWSGAASS-CQSZACIVSA-N 321.421 -0.179 30 20 DBED C=CCCOCC(=O)NCC1(O)CN(C(=O)c2cnn(C)c2)C1 1043565162 LIJSSPZMPGZXLZ-UHFFFAOYSA-N 322.365 -0.684 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CC(=O)N[C@@H](C)C2)C1 1043749950 JLPZIAOERFANSF-RYUDHWBXSA-N 323.393 -0.443 30 20 DBED Cc1cc(C#N)nc(N2C[C@H](O)[C@H](NC(=O)c3cn[nH]c3)C2)n1 1043845284 LCPANHRGNYBZLC-NEPJUHHUSA-N 313.321 -0.641 30 20 DBED Cc1n[nH]cc1C(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1044358001 DJFAEWQABRIUEF-NEPJUHHUSA-N 313.321 -0.641 30 20 DBED CCC[C@H](OC)C(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1044397478 FTOJWGFTSOEIOG-ZDUSSCGKSA-N 308.378 -0.096 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)Cc2ccc(F)cn2)C1 1045554790 JOEQXDCRGRVGAL-JTQLQIEISA-N 320.324 -0.388 30 20 DBED C#CCN1CC[C@](C)(NC(=O)[C@@H]2CCc3nnc(O)n3C2)C1 1046432844 WZVHHESGOWXWNQ-ABAIWWIYSA-N 303.366 -0.240 30 20 DBED C=C[C@@H](C)[C@@H](C)C(=O)N1CC(O)(CNC(=O)Cn2cncn2)C1 1046874611 APMDCGBKFIACBL-VXGBXAGGSA-N 321.381 -0.574 30 20 DBED CN(C(=O)c1cc2ncccn2n1)[C@H]1CN(CC#N)C[C@@H]1O 1047574211 YLMAAWXCWLYSBC-RYUDHWBXSA-N 300.322 -0.630 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)CC)C1 1048284587 FDZRLXXDFGRLCH-AGIUHOORSA-N 323.393 -0.798 30 20 DBED Cc1cc(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)C#N)C2)no1 1049388692 OSFJCHXIJIHOHX-UWJYBYFXSA-N 306.322 -0.214 30 20 DBED C=CCN1CC[C@H](NCC[C@@H]2CCN(C(=O)C(N)=O)C2)C1=O 1050230724 ORIMZUNNMXDEAP-NEPJUHHUSA-N 308.382 -0.913 30 20 DBED N#CCN1CCN([C@@H]2CCN(C(=O)CCc3cnn[nH]3)C2)CC1 1052086505 CNEWTHWLUXIBNN-CQSZACIVSA-N 317.397 -0.521 30 20 DBED C#CCN1CC2(C1)CN(C(=O)c1cnc(N(C)C)cn1)CCO2 1053257397 PJJFWBVUDSPDIA-UHFFFAOYSA-N 315.377 -0.297 30 20 DBED C=CCN1CC2(C[C@@H](NC(=O)c3cccnc3C(N)=O)CO2)C1 1054012468 DKOPYQOUPVAIFT-LLVKDONJSA-N 316.361 -0.060 30 20 DBED COCC(=O)NCCN1CCC(NC(=O)C#CC2CC2)CC1 1055494946 BZMYAAKOUFTPBU-UHFFFAOYSA-N 307.394 -0.257 30 20 DBED C=CCCC(=O)N1CCC[C@](CO)(NC(=O)CNC(N)=O)C1 1055745061 LNTKADXBSODVDB-AWEZNQCLSA-N 312.370 -0.909 30 20 DBED N#Cc1nccc(N2C[C@H]3[C@H](NC(=O)C4=COCCO4)[C@H]3C2)n1 1056100794 UOUXTMMTUNELIM-MSRIBSCDSA-N 313.317 -0.213 30 20 DBED N#Cc1ccc(N2C[C@H]3[C@H](NC(=O)Cn4cncn4)[C@H]3C2)cn1 1056217994 RJDHTUFSTIXOHT-NHAGDIPZSA-N 309.333 -0.204 30 20 DBED CN1C[C@@H](C(=O)N2CC[C@@H](N=c3cc[nH]c(C#N)n3)C2)CC1=O 1056805466 WCCSNTWRHXTMNY-WDEREUQCSA-N 314.349 -0.739 30 20 DBED CC(C)(C)C#CC(=O)NCCN(CCO)C(=O)Cn1cccn1 1056965132 DUWMDRRSNLJPIX-UHFFFAOYSA-N 320.393 -0.130 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)C[C@@H]1CCOC1 1057194078 XXJPXWQNMIRUDQ-ZDUSSCGKSA-N 314.382 -0.447 30 20 DBED C[C@H](C(=O)NCCN(CCO)C(=O)C#CC1CC1)n1cncn1 1057531534 SORCPBUXQMSMNC-GFCCVEGCSA-N 319.365 -0.810 30 20 DBED O=C(Cn1ccnc1)NCCN(CCO)C(=O)C#CC1CC1 1057537969 RKRSBTZWFGJVNP-UHFFFAOYSA-N 304.350 -0.766 30 20 DBED C=CCn1cc(C(=O)NCCN(CCO)C(=O)[C@H](C)C#N)nn1 1058659002 QETIDWKZUGRTLY-LLVKDONJSA-N 320.353 -0.826 30 20 DBED COCCCOCC(=O)N(CCO)CCNC(=O)[C@@H](C)C#N 1058827953 BEGTVRRZSXABOF-LBPRGKRZSA-N 315.370 -0.864 30 20 DBED Cc1cc(C#N)nc(N[C@H]2CCN(C(=O)Cn3ncnn3)C2)n1 1058969880 HYCWXQFXOQJRMT-JTQLQIEISA-N 313.325 -0.644 30 20 DBED C=CCCC(=O)N1CCOC[C@H]1CNC(=O)CN1CCCC1=O 1061277210 CSWQDUFXPGYREM-CYBMUJFWSA-N 323.393 -0.081 30 20 DBED C#CCCCC(=O)NC[C@@H]1COCCN1C(=O)CC(=O)NC 1061540371 JRCYIKQQZKCAKF-GFCCVEGCSA-N 309.366 -0.730 30 20 DBED CC#CCCCC(=O)NC[C@H]1COCCN1C(=O)CNC(N)=O 1061786045 VORRMVBVOWGJLU-LBPRGKRZSA-N 324.381 -0.808 30 20 DBED C=C[C@H](CC)CC(=O)NC[C@@H]1COCCN1C(=O)CC(N)=O 1061797784 QGUOMEZKKCKSTK-VXGBXAGGSA-N 311.382 -0.192 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)c1ncccc1O 1061847261 JVHQIPAORIUHFV-WDEREUQCSA-N 318.333 -0.096 30 20 DBED CN(CC1CCN(C(=O)C(N)=O)CC1)c1ccc(C#N)nn1 1062229017 WLTIPMKZGVXUCI-UHFFFAOYSA-N 302.338 -0.492 30 20 DBED CO[C@H](C)C(=O)NC[C@@H]1CN(C(=O)CSCC#N)CCO1 1064880711 GNQUOUHXCLWRKM-GHMZBOCLSA-N 315.395 -0.378 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H]1CN(C(=O)c2cc[nH]n2)CCO1 1064890673 ONVITTUNVBFRPN-RYUDHWBXSA-N 320.349 -0.595 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CN(C(=O)c2cc(=O)n(C)o2)CCO1 1065087575 RAUTWDHYSUAIGZ-ZJUUUORDSA-N 322.321 -0.905 30 20 DBED C=CC(C)(C)C(=O)NC[C@@H]1CN(C(=O)c2cnnn2C)CCO1 1065105838 VPBXFBMSINVSLD-LLVKDONJSA-N 321.381 -0.016 30 20 DBED Cc1c[nH]nc1C(=O)N1CCO[C@@H](CNC(=O)[C@H](C)C#N)C1 1065133150 PCKMMAIPGJKPFM-KOLCDFICSA-N 305.338 -0.165 30 20 DBED Cn1nnc(C(=O)N[C@@]2(C)CCN(c3ccc(C#N)cn3)C2)n1 1065316507 FDJXZXDBPXPXNA-AWEZNQCLSA-N 312.337 -0.124 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CN(C(=O)COCC(F)F)CCO1 1065365202 BKLXMHULVKIGBO-VHSXEESVSA-N 319.308 -0.229 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H](NC(=O)C2(NC(N)=O)CC2)CC1 1066066452 MQIQUSGUQIPBLP-QWRGUYRKSA-N 321.381 -0.156 30 20 DBED NC(=O)NCCC(=O)N[C@H]1CCCN(C(=O)C#CC2CC2)CC1 1066162682 XWTCELSKOGJQLC-ZDUSSCGKSA-N 320.393 -0.045 30 20 DBED N#Cc1ccc(N2C[C@H](CNC(=O)c3cncnc3)[C@@H](O)C2)nc1 1067665889 VCKPJYIRVJHNEK-KBPBESRZSA-N 324.344 -0.030 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCCN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 1068060103 BOZFMRFQYNBZSA-SDDRHHMPSA-N 324.381 -0.514 30 20 DBED C#CCCCCC(=O)N1CC2(CN(C(=O)CC(N)=O)CCO2)C1 1068363079 GMHSIYVREYMPFP-UHFFFAOYSA-N 321.377 -0.505 30 20 DBED C[C@H](C#N)C(=O)N1CC2(C[C@@H](NC(=O)CC3(O)CCC3)CO2)C1 1068854556 DUVDPKCMFURHGF-VXGBXAGGSA-N 321.377 -0.063 30 20 DBED N#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2ccns2)C1 1069940877 IUZYJNCOHBGGPP-ZJUUUORDSA-N 303.351 -0.087 30 20 DBED C#CCN[C@@H]1CN(C(=O)C[C@H]2CCCO2)C[C@@H]1n1ccnn1 1070145813 UDRAUCSZNBNUDL-MCIONIFRSA-N 303.366 -0.178 30 20 DBED C=CCN1CC[C@@H](c2n[nH]cc2CNC(=O)c2nnn(C)n2)C1 1070419623 DEWXMDDOZWCRIV-SNVBAGLBSA-N 316.369 -0.162 30 20 DBED C#CCCN1C[C@H]2C[C@H]3CN(C(=O)c4cnnn4C)C[C@@]3(C1)O2 1070795070 JOTAMYRRIZRIKD-WOSRLPQWSA-N 315.377 -0.246 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)C2(N(C)C)CCC2)CC1 1070970697 SPKOYZVTEQLZRO-UHFFFAOYSA-N 320.437 -0.246 30 20 DBED C#CCN1CC[C@@]2(C1)CN(C(=O)c1nccnc1N)C[C@H](C)O2 1071147077 OCWHAUZBVPOAJX-BLLLJJGKSA-N 315.377 -0.003 30 20 DBED C=CCCC(=O)N1C[C@@H](NC(=O)Cn2c(O)nnc2O)[C@H](C)C1 1071788244 WHBOYSIXVPEABU-NXEZZACHSA-N 323.353 -0.381 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)C2CN(C(C)=O)C2)C[C@H]1C 1071978971 OECVGVVSXCPJCC-BXUZGUMPSA-N 323.393 -0.370 30 20 DBED CC#CCN1CCCO[C@@H](CNC(=O)[C@H]2CN(C)CCO2)C1 1073564296 VSDYDRNASWNLER-LSDHHAIUSA-N 309.410 -0.453 30 20 DBED CC#CCN1CCCO[C@H](CNC(=O)c2cc(=O)n(C)cn2)C1 1073642017 GQKBIIXGEDVNPZ-CYBMUJFWSA-N 318.377 -0.376 30 20 DBED N#CCN1CCO[C@H]2CCN(C(=O)CC3OCCCO3)C[C@H]21 1074222708 MAUWPNWHKYRKPQ-OLZOCXBDSA-N 309.366 -0.035 30 20 DBED C#CCCN1CCO[C@@H]2CCN(C(=O)Cc3n[nH]c(C)n3)C[C@@H]21 1074237681 DAVXRFWIFVWABT-UONOGXRCSA-N 317.393 -0.019 30 20 DBED C#CCOCCC(=O)N[C@H]1CCN(C(=O)CNC(C)=O)[C@@H](C)C1 1074990214 CMTBHBPPJKOGRH-JSGCOSHPSA-N 323.393 -0.342 30 20 DBED C[C@@H](CCNC(=O)CNC(N)=O)NC(=O)c1c[nH]c(C#N)c1 1075542712 YXUJWUDVFKTIOI-QMMMGPOBSA-N 306.326 -0.821 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)[C@H](C)COC 1075908083 FIWQLQWIDOCBKN-NEPJUHHUSA-N 311.382 -0.581 30 20 DBED C[C@@H](CCNC(=O)c1c[nH]c(C#N)c1)NC(=O)c1cnnn1C 1076215731 SJTJBCUGKJVAQJ-VIFPVBQESA-N 315.337 -0.047 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2cc(N3CCCC3)ccn2)C1 1077324183 YNTNZJQMEOCCEV-HUUCEWRRSA-N 315.377 -0.020 30 20 DBED C[C@@H](CCNC(=O)C(N)=O)NC(=O)CC#Cc1ccccc1 1078120762 XXTKPUBETCIOJS-LBPRGKRZSA-N 301.346 -0.076 30 20 DBED N#Cc1ccccc1CNC[C@H]1CN(C(=O)C(N)=O)CCCO1 1078457420 WNBCWSRFACPPOD-AWEZNQCLSA-N 316.361 -0.249 30 20 DBED CCN(C(=O)[C@@H](C)S(C)(=O)=O)C1CN(C(=O)[C@@H](C)C#N)C1 1080055521 HBQLWMKFXRXJIL-VHSXEESVSA-N 315.395 -0.362 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)c2cncn2C)C[C@@H]1O 1081337679 HPVYSHJSZBGOGD-AAEUAGOBSA-N 306.366 -0.065 30 20 DBED COCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 1081377919 ZYKRSQVJCXDRST-DGCLKSJQSA-N 320.349 -0.528 30 20 DBED Cc1nc(C(=O)N2C[C@@H](O)[C@H](CNC(=O)C#CC3CC3)C2)co1 1081470418 ACQNQKZTRZZBHS-TZMCWYRMSA-N 317.345 -0.054 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(C(=O)C(F)F)C[C@H]1O 1081489160 QOGYCCYMCUVNLE-NXEZZACHSA-N 304.293 -0.773 30 20 DBED CCCN(C)CC(=O)NC[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 1081634775 MHLXTDQOIIJMDN-CABCVRRESA-N 321.421 -0.323 30 20 DBED C#CCCN1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)[C@H](OC)C1 1082143282 ZTOYVPWVYLTXOR-XJFOESAGSA-N 307.394 -0.273 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1cnn(C)c1 1082156588 PXCMGRBJPXYMKP-REWJHTLYSA-N 303.366 -0.137 30 20 DBED C[C@H]1CC[C@@H](NC(=O)CC(N)=O)CN1c1cncc(C#N)n1 1089128598 XPISREBGVCQTOM-VHSXEESVSA-N 302.338 -0.303 30 20 DBED C#CCN1CC[C@@H](NC(=O)Cc2c(C)nn(C)c2C)[C@H](O)C1 1090463642 OIZLNKCBJNVHDF-HUUCEWRRSA-N 304.394 -0.236 30 20 DBED N#Cc1nccc(N2C[C@@H](O)[C@H](NC(=O)C3(CF)CC3)C2)n1 1090528483 UFVXFTAORHEVGQ-NXEZZACHSA-N 305.313 -0.236 30 20 DBED C=CCCn1cc(C(=O)N[C@@H]2CCN(CCO)C[C@@H]2O)nn1 1090637922 MTFOYUXRMCWJDH-YPMHNXCESA-N 309.370 -0.989 30 20 DBED C#CCN1CCC(C(=O)N[C@@H]2CCN(CC#N)C[C@@H]2O)CC1 1090831276 SKYKPQLJFCFSBX-CABCVRRESA-N 304.394 -0.593 30 20 DBED COc1ncnc(OC)c1C(=O)N[C@H]1CCN(CC#N)C[C@H]1O 1090843079 GAWLHVVJXMMKQB-VHSXEESVSA-N 321.337 -0.818 30 20 DBED Cc1nccc(N2C[C@H](O)[C@H](NC(=O)CSCC#N)C2)n1 1091070726 LZBCXVILGVMITI-MNOVXSKESA-N 307.379 -0.293 30 20 DBED CO[C@H](C)CC(=O)N[C@@H]1CN(c2nc(C)cc(C#N)n2)C[C@@H]1O 1091073464 QXKHLNRZGGNENR-RTXFEEFZSA-N 319.365 -0.253 30 20 DBED CO[C@H](C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O)C(C)C 1091179581 YXJPJTBTAJTWLM-SUNKGSAMSA-N 319.365 -0.315 30 20 DBED N#Cc1nccnc1N[C@H]1C[C@@H](CNC(=O)CCNC(N)=O)C1 1091347792 MVUFKXWYXNVUFJ-AOOOYVTPSA-N 317.353 -0.287 30 20 DBED COCC(=O)N[C@H]1CCN(c2ccc(C#N)c(C)n2)C[C@H]1O 1092126367 LJKHFZSGRWNUSA-QWHCGFSZSA-N 304.350 -0.036 30 20 DBED CC(=O)N(C)CC(=O)NC1[C@@H]2CN(c3ccc(C#N)nc3)C[C@@H]12 1093218230 RWRLEZOSSVPCIZ-ZIAGYGMSSA-N 313.361 -0.018 30 20 DBED CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NCCN=c1cc[nH]cc1C#N 1094142643 QOMUIRUYKGGTLE-NWDGAFQWSA-N 301.350 -0.372 30 20 DBED C#CCCN1CC(n2cc(CNC(=O)c3cn(C)nn3)nn2)C1 1094288026 BHBYFGFFHNOTGP-UHFFFAOYSA-N 314.353 -0.783 30 20 DBED C#CCN1CC(n2cc(CNC(=O)c3nn(C)cc3C)nn2)C1 1094291358 PRXXLYMSYYDNMW-UHFFFAOYSA-N 313.365 -0.260 30 20 DBED C#CCN1CC(n2cc(CNC(=O)c3ccc(O)nc3)nn2)C1 1094337040 DSFAPWYRZQIZEP-UHFFFAOYSA-N 312.333 -0.201 30 20 DBED N#Cc1nccc(N2CC[C@@H](NC(=O)CCNC(N)=O)C2)n1 1096377497 BJLGTRAIQGUBPM-SECBINFHSA-N 303.326 -0.898 30 20 DBED N#Cc1ccc(N[C@H]2CCN(C(=O)CCNC(N)=O)C2)nn1 1096938420 UWXHENSEWNRQAI-JTQLQIEISA-N 303.326 -0.581 30 20 DBED C[C@@H](CNC(=O)CC(=O)NCC1CC1)N=c1cc[nH]c(C#N)n1 1098040732 FAQYWAFGISPKEJ-JTQLQIEISA-N 316.365 -0.397 30 20 DBED C[C@H](CNC(=O)Cn1ncn(C)c1=O)Nc1ccc(C#N)cn1 1098123649 GKDIJZNGCIMXTD-SNVBAGLBSA-N 315.337 -0.535 30 20 DBED C[C@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)Nc1ncccc1C#N 1098263829 AUQCJZBFIYEVQV-ADEWGFFLSA-N 317.349 -0.097 30 20 DBED CCC(=O)N[C@@H](C)C(=O)NC[C@@H](C)N=c1cc[nH]c(C#N)n1 1098342903 VIOHUEJNKPLHOV-ZJUUUORDSA-N 304.354 -0.399 30 20 DBED C=CCN(CCO)C1CCN(C(=O)[C@@H]2CCN(C)C2=O)CC1 1098456466 HRPGPGFCTUQXCJ-CQSZACIVSA-N 309.410 -0.064 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC[C@@H](n2cc(CNCCO)nn2)C1 1098663826 JSYJWDIQKMBDLI-HIFRSBDPSA-N 323.397 -0.540 30 20 DBED C#CCNCc1cn([C@H]2CCN(C(=O)[C@@H]3CCC(=O)N3)C2)nn1 1098766410 CKXIGXSOFUYYJG-STQMWFEESA-N 316.365 -0.947 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)Cn2cc(C)cn2)[C@H](O)C1 1099712226 MAWISSATQDTTNE-LSDHHAIUSA-N 322.409 -0.054 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)c2cnnn2C)[C@H](O)C1 1099802686 ZRVYZRXDFUXBGZ-WCQYABFASA-N 309.370 -0.817 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CCN(CC(=O)NCC2CC2)C[C@H]1O 1099821812 YDUOUIGGCIJAJA-HUUCEWRRSA-N 321.421 -0.277 30 20 DBED C#CCCN1CC[C@H](NC(=O)CN(C)C(=O)C(C)C)[C@@H](O)C1 1099861756 YJOUAFNPPVYGPE-KBPBESRZSA-N 309.410 -0.325 30 20 DBED COC[C@@]1(C(=O)NCCN(C)c2ccnc(C#N)n2)CCOC1 1100238929 YBTJOHUTTFYPCN-HNNXBMFYSA-N 319.365 -0.046 30 20 DBED C#CCO[C@H](C)C(=O)NCC1CC(NCC(=O)N(C)CC)C1 1100322745 SWYSJJPGPJPYFQ-IYXRBSQSSA-N 309.410 -0.013 30 20 DBED CN1CC[C@H](C(=O)NCC2CC(NCC(=O)NCC#N)C2)C1 1100982238 PFVSKBZPRSBHGQ-CPCZMJQVSA-N 307.398 -0.938 30 20 DBED C#CCNC1CC(CNC(=O)CNC(=O)c2ccccn2)C1 1101022153 ZSWMESSVBYNLRJ-UHFFFAOYSA-N 300.362 -0.071 30 20 DBED N#Cc1nccc(N(CCNC(=O)[C@H]2C[C@H]2C(N)=O)C2CC2)n1 1101447119 ALDXMGLDWRXVHL-MNOVXSKESA-N 314.349 -0.445 30 20 DBED CN(CCNc1cncc(C#N)n1)C(=O)c1cnn(C)c1N 1101561452 YVPXYKCCARHEMB-UHFFFAOYSA-N 300.326 -0.152 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CN(CCN2C(=O)CNC2=O)C[C@H]1C 1101827997 UMARNWIVJYHAIL-QJPTWQEYSA-N 321.381 -0.618 30 20 DBED C[C@H](NC(N)=O)C(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(C#N)n1 1102547611 HSGWMKVNBINXNT-GUBZILKMSA-N 315.337 -0.805 30 20 DBED CC[C@H](CNC(=O)C1CS(=O)(=O)C1)Nc1cnc(C#N)cn1 1103199767 HCUOIDGCDNMBKP-SNVBAGLBSA-N 323.378 -0.300 30 20 DBED CC[C@H](CNC(=O)[C@@H]1CNC(=O)N1)Nc1cncc(C#N)n1 1103277914 QVKHBHCEXGPKQY-SCZZXKLOSA-N 303.326 -0.664 30 20 DBED COCCC(=O)NC[C@H]1CN(c2ccnc(C#N)n2)CCO1 1104284929 RBDSDJMHJAKDLB-NSHDSACASA-N 305.338 -0.294 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)CCn1ccnn1 1104548844 JXKZHEJPZLGGOT-NSHDSACASA-N 314.353 -0.289 30 20 DBED CNC(=O)NCC(=O)N(C)CCN(C)c1ccnc(C#N)n1 1105592451 JMHPDHWIHKCKIV-UHFFFAOYSA-N 305.342 -0.828 30 20 DBED N#Cc1cncc(NC[C@@H](O)CNC(=O)C[C@@H]2CCOC2)n1 1105759574 PBKPEKXQFHDLBJ-CMPLNLGQSA-N 305.338 -0.336 30 20 DBED COC(=O)c1nc(=NC[C@H](O)CNC(=O)C#CC(C)C)cc[nH]1 1105809622 FWFLLVILMAWQQC-NSHDSACASA-N 320.349 -0.767 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)[C@@H]2CCCNC2=O)cn1 1105998886 ICRVUCAGTIVUHZ-CHWSQXEVSA-N 317.349 -0.632 30 20 DBED C=CCOCCNC[C@@H]1CN(C(=O)CNC(=O)NC)C[C@H]1C 1106213749 IEHDSZRWMSRIAI-CHWSQXEVSA-N 312.414 -0.198 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)[C@H]1COCCN1C 1106732027 SAXMXNHPZXYSHT-GFCCVEGCSA-N 318.381 -0.639 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)[C@@H]1CCNC1=O 1106910292 XUDZJRCADAXGSE-SNVBAGLBSA-N 302.338 -0.833 30 20 DBED C#CCN1CC(n2cc(CNC(=O)[C@@]3(F)CCOC3)nn2)C1 1107198345 CQXFMEDIBVLTQC-CQSZACIVSA-N 307.329 -0.487 30 20 DBED N#Cc1ccc(NC/C=C\CNC(=O)c2c[nH]c(=O)cn2)nn1 1107490653 NIMJPYNYGDPCNA-UPHRSURJSA-N 311.305 -0.170 30 20 DBED C[C@H](CNc1nccnc1C#N)NC(=O)[C@@H]1CN(C)CCO1 1107666584 CGJGJJUJGVTTCO-PWSUYJOCSA-N 304.354 -0.405 30 20 DBED CC(=O)N1CC[C@H](C(=O)N[C@H](C)CN=c2cc[nH]c(C#N)n2)C1 1107870486 BRJSVYGPYYHVBG-PWSUYJOCSA-N 316.365 -0.445 30 20 DBED CC(C)(C)C#CC(=O)N[C@@H]1CC(=O)N(C2CN(CCO)C2)C1 1108545283 RNJZIGJUTMEWPX-GFCCVEGCSA-N 307.394 -0.571 30 20 DBED N#CCNC(=O)CN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cocn1)C2 1108642216 RZHXBGNRHBYKRH-SRVKXCTJSA-N 317.349 -0.103 30 20 DBED CC#CCN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN1CC(=O)NC1=O)C2 1108779957 ZNTMJXZYMHLBBD-AVGNSLFASA-N 318.377 -0.469 30 20 DBED C[C@@H](CN(C)c1ccnc(C#N)n1)NC(=O)[C@@H]1CN(C)CCO1 1108905360 JEMFUQJXYQWIIB-RYUDHWBXSA-N 318.381 -0.380 30 20 DBED N#Cc1ccc(NC2(CNC(=O)C(N)=O)CCOCC2)cn1 1111000014 SDHPXENMFZHAOW-UHFFFAOYSA-N 303.322 -0.484 30 20 DBED N#Cc1nc(=NCCN(CCO)C(=O)c2cncs2)cc[nH]1 1111435052 UXKOUEOQDGMVOK-UHFFFAOYSA-N 318.362 -0.227 30 20 DBED COCCOCC(=O)N(CCO)CCNc1ccc(C#N)cn1 1111435981 MGWKNCSMFYVLPS-UHFFFAOYSA-N 322.365 -0.151 30 20 DBED N#Cc1cnc(NCCN(CCO)C(=O)c2n[nH]cc2F)cn1 1111555337 YFNZSSGVKRKLJA-UHFFFAOYSA-N 319.300 -0.243 30 20 DBED N#CCNC(=O)CN1C[C@@H]2CCC[C@]2(NC(=O)c2cc[nH]n2)C1 1111598379 RSQQEKHOWZTGHU-NHYWBVRUSA-N 316.365 -0.366 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCC[C@]2(NC(=O)c2nc[nH]n2)C1 1111906682 NZEBFXZSGUSMEB-NHYWBVRUSA-N 316.365 -0.862 30 20 DBED CN(CCCN(C)c1cncc(C#N)n1)C(=O)[C@H]1CCNC1=O 1112151850 YTFJGTWPTRDMLH-LBPRGKRZSA-N 316.365 -0.231 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H](C)N(C)c1nccc(C)n1 1113566897 DSJKLZCMTKQVKT-GFCCVEGCSA-N 303.366 -0.135 30 20 DBED C[C@H](CNC(=O)[C@@]1(C)CCNC1=O)N(C)c1ccnc(C#N)n1 1113872228 KYIABGJWXAZABD-BMIGLBTASA-N 316.365 -0.185 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)CCOC(C)C)[C@H]2C1 1113897713 ZGSGRTYGFMIGIR-VIKVFOODSA-N 307.394 -0.403 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)c3ccc(F)nc3)[C@@H]2C1 1114050659 GULMMLOUTXFTCX-VXGBXAGGSA-N 316.336 -0.370 30 20 DBED Cc1[nH]nc(C(=O)N[C@H]2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]32)c1C 1114061655 UWZKXYPIUCQBCA-YABSGUDNSA-N 316.365 -0.674 30 20 DBED C#CCCCCC(=O)N[C@H]1[C@@H]2CN(CC(=O)NC(N)=O)C[C@@H]21 1114159218 BMCIXXBYMSGYCH-YABSGUDNSA-N 306.366 -0.579 30 20 DBED C=C(C)CCN1C[C@H]2[C@H](NC(=O)CCNS(C)(=O)=O)[C@H]2C1 1114361990 XMNBGHZNTBOFJO-IMRBUKKESA-N 315.439 -0.062 30 20 DBED C#CCC1(C(=O)N[C@H]2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]32)CCC1 1114394900 LAHUJAVQFWJIIT-NHAGDIPZSA-N 314.389 -0.134 30 20 DBED CC(C)(CN1CCOCC1)C(=O)N[C@H]1[C@@H]2CN(CC#N)C[C@@H]21 1114464398 SJLWWZQBWCBJSV-WDNDVIMCSA-N 306.410 -0.085 30 20 DBED C[C@H](CCCN=c1cc[nH]cc1C#N)NC(=O)[C@@H]1CNC(=O)N1 1115062205 NTIWLFUFFPXAKH-MFKMUULPSA-N 316.365 -0.247 30 20 DBED COCC#CCN1C[C@@H]2C(NC(=O)Cc3[nH]cnc3C)[C@H]2C1 1115170144 MJXMEUQFSYVJCN-STQMWFEESA-N 302.378 -0.043 30 20 DBED CCOC(=O)[C@H](C)NC(=O)CCN/C(O)=C1/N=CC=CC1=O 1116063082 ZZMWFQYGAOGHAW-LZTQFINJSA-N 309.322 -0.029 30 20 DBED CCNC(=O)C1(CNC(=O)C(=O)N2CC[C@](F)(C#N)C2)CCC1 1117640131 VWNOBMUMTHKEFV-HNNXBMFYSA-N 324.356 -0.127 30 20 DBED N#Cc1ccc(CCNC(=O)C(=O)NC[C@H]2CNC(=O)C2)cc1 1118716731 GURFNDWMEOMPFS-CYBMUJFWSA-N 314.345 -0.531 30 20 DBED C[C@H](CN(C)C(=O)CO[C@H]1CCOC1)N=c1cc[nH]c(C#N)n1 1120111751 YGYQRMOLOXLJOT-NEPJUHHUSA-N 319.365 -0.166 30 20 DBED CC(=O)N[C@@H](C)C(=O)NC[C@@H](CO)Nc1ccc(C#N)nc1 1121009892 GBZOPEFJKJMFPU-ZANVPECISA-N 305.338 -0.633 30 20 DBED CC(=O)N(C)CC(=O)NC[C@@H](CO)Nc1nc(C)cc(C#N)n1 1121086363 SCDDDQLDKJZTAK-LBPRGKRZSA-N 320.353 -0.976 30 20 DBED C#CCCN(CCOC)c1nnc(C2=NO[C@H](CO)C2)n1C 1121455742 HIZNTYQOGJXRIJ-NSHDSACASA-N 307.354 -0.224 30 20 DBED Cc1cncn1CC(=O)NC[C@@H](CO)Nc1nccnc1C#N 1122238235 GXGYHEITVXQZRX-NSHDSACASA-N 315.337 -0.558 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H](CO)CNC(=O)c1csnn1 1122364521 NCOIEQXCNKOZCY-SECBINFHSA-N 304.335 -0.571 30 20 DBED C[C@H]1CCN(CC(=O)NC[C@H](CO)Nc2cnc(C#N)cn2)C1 1122528499 VDVMKRNWZAFPEU-WCQYABFASA-N 318.381 -0.421 30 20 DBED CN(C[C@@H](O)CNc1cncc(C#N)n1)C(=O)c1cc[nH]n1 1124048071 YGPIZABFUDASQY-JTQLQIEISA-N 301.310 -0.384 30 20 DBED CN(C[C@@H](O)CNc1cncc(C#N)n1)C(=O)c1ccon1 1124092308 ZFHAIKQZOHSKSL-JTQLQIEISA-N 302.294 -0.119 30 20 DBED CN(C[C@@H](O)CNc1ccc(C#N)nn1)C(=O)Cn1cccn1 1124117180 OMRAZGOGHNVFEB-LBPRGKRZSA-N 315.337 -0.524 30 20 DBED C=CCOCCCC(=O)NCCN[C@H](C)C(=O)NC(=O)NC 1125255955 PMZAQUDEWAJLBH-LLVKDONJSA-N 314.386 -0.481 30 20 DBED N#Cc1cc(C(=O)NCCNCc2ncnn2CCF)c[nH]1 1125988137 MTUXGTKBAYPDAP-UHFFFAOYSA-N 305.317 -0.033 30 20 DBED N#Cc1ccc(F)c(CNCCNC(=O)Cn2cnnc2O)c1 1126026759 HAOKUUUGPMKJQT-UHFFFAOYSA-N 318.312 -0.100 30 20 DBED C=CCO[C@H](C)C(=O)NCc1cnn2c1CN(CCO)CC2 1128602281 CBKUIRFVPSMDDC-GFCCVEGCSA-N 308.382 -0.102 30 20 DBED C=CCN[C@@H]1CN(C(=O)CC(=O)N(C)C)C[C@@H]1n1ccnn1 1130033144 WKTOFNQDSZXNGZ-NEPJUHHUSA-N 306.370 -0.716 30 20 DBED C#CCNC[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](C)C#N)n1 1130202598 FJAAWZKMMWWSQO-SRVKXCTJSA-N 316.365 -0.324 30 20 DBED C=CCN1CC[C@@H](c2n[nH]cc2CNC(=O)Cn2ncnn2)C1 1130388921 DLUOFWUUHIDACI-LLVKDONJSA-N 316.369 -0.312 30 20 DBED COC[C@H](C)C(=O)N1CCC[C@H](N2CCN(CC#N)CC2=O)C1 1131710545 WWMPYGJYYJOUMT-KBPBESRZSA-N 322.409 -0.072 30 20 DBED C[C@H]1CC[C@H](NC(=O)c2csnn2)CN1CC(=O)NCC#N 1132207259 SCSIVGOUDPUHMD-UWVGGRQHSA-N 322.394 -0.239 30 20 DBED C[C@@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C[C@@H]1CNCC#N 1133165169 CGIIBAIDDKMKKP-PWSUYJOCSA-N 306.366 -0.363 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@@H]1CC12CC(OCC)C2 1133796479 CBBPUMUZQMOUJR-UYJPIKCFSA-N 307.394 -0.353 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)CCS(=O)(=O)N(C)C)NCC#N 1146570724 IJMQTOCMOMWREL-WDEREUQCSA-N 304.416 -0.336 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN([C@@H]2CCNC2=O)CCCO1 1149384791 XFCPCJKXUKUMQX-CHWSQXEVSA-N 311.382 -0.715 30 20 DBED C#CCNC(=O)CNCCNC(=O)CCCCCNC(C)=O 1150071692 MEZZLFWAMNINFN-UHFFFAOYSA-N 310.398 -0.862 30 20 DBED C#CCNC(=O)CNCCNC(=O)CCC(=O)N(CC)CC 1151972667 COQDRWDVWSCRHY-UHFFFAOYSA-N 310.398 -0.910 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCCc1nnc2n1CCNC2=O 1155211770 BCAYHLRAGPKAJL-ZJUUUORDSA-N 305.338 -0.729 30 20 DBED CC(C)C#CC(=O)NCCCNC[C@H](O)CN1CCCC1=O 1157638715 LFFISXUIRRIRMY-AWEZNQCLSA-N 309.410 -0.275 30 20 DBED CN(CC(=O)NCC#N)C[C@H]1CCCCN1C(=O)[C@@H]1CCOC1 1157648246 GGAVDAAQJXHCCD-ZIAGYGMSSA-N 322.409 -0.024 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)[C@@H]1CCN(C)C(=O)C1 1161155609 HPIBUOZEZHLXLU-QWHCGFSZSA-N 324.425 -0.359 30 20 DBED C=CCn1cc(C(=O)NCCCN[C@H]2CCN(C)C2=O)nn1 1167839113 UDXJIEGSELKKRM-NSHDSACASA-N 306.370 -0.596 30 20 DBED C#CCCNCC1(CCNC(=O)CS(=O)(=O)NC)CC1 1168204701 JETWPAOLTQWTKY-UHFFFAOYSA-N 301.412 -0.565 30 20 DBED C[C@H](CCCCNCC#N)NC(=O)[C@H]1CCN(C)S1(=O)=O 1175645961 WXIYTLHZRAMDKE-VXGBXAGGSA-N 316.427 -0.192 30 20 DBED C#CCNC(=O)CNCCCC[C@@H](C)NC(=O)Cn1cncn1 1176476186 QKTXLSBXXDVOCC-CYBMUJFWSA-N 320.397 -0.708 30 20 DBED C=CCOCC(=O)N1CC[C@H](CNCc2nnn(C)n2)[C@H](C)C1 1184087755 FMFHHDODAAEFDN-CHWSQXEVSA-N 322.413 -0.013 30 20 DBED CC(C)C#CC(=O)N1CC[C@H]2CN([C@@H](C)C(=O)NC(N)=O)C[C@H]21 1187827211 AGQXZPNTQOBOSQ-RWMBFGLXSA-N 320.393 -0.238 30 20 DBED C#CCOCCC(=O)N1CC[C@H]2CN([C@H]3CCNC3=O)C[C@H]21 1187874624 YWLKEKQRSIZQFX-MELADBBJSA-N 305.378 -0.553 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@H]1CCN(C(=O)c2cnn(C)c2)C1 1188814990 YITVBXOLIRMPQW-OCCSQVGLSA-N 317.393 -0.296 30 20 DBED C=CCNC(=O)CN1C[C@@H]2CCN(C(=O)Cn3cncn3)[C@@H]2C1 1190080432 ATRRGGGZXOTYOG-QWHCGFSZSA-N 318.381 -0.887 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)[C@@H]3CCN(C)C3)[C@@H]2C1 1190147837 ACJLSSSQDGIALR-RRFJBIMHSA-N 318.421 -0.780 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)[C@H]2CCC(=O)NC2)C1 1191080569 JBVCFGKYGRIMAH-QWHCGFSZSA-N 322.409 -0.653 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2[nH]nnc2C)C1 1191667121 RKFXZLIAFOZUQL-LLVKDONJSA-N 304.354 -0.991 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)CNC(=O)C2CC2)CCCO1 1199956412 FUDXMQGSFHRJGE-CQSZACIVSA-N 307.394 -0.257 30 20 DBED C#CCNC[C@H]1CN(C(=O)c2cc(C(N)=O)co2)CCCO1 1201396358 WJDGEKBILGCXLF-LBPRGKRZSA-N 305.334 -0.168 30 20 DBED N#CCNC[C@@H]1CN(C(=O)CCn2cnccc2=O)CCCO1 1201748692 LQSOJZOINLZGDY-CYBMUJFWSA-N 319.365 -0.636 30 20 DBED C#CCNC[C@@H]1CN(C(=O)[C@@H]2CCCN2C(C)=O)CCCO1 1201891742 PXYYBCQLDYPCMJ-CABCVRRESA-N 307.394 -0.162 30 20 DBED C#CCNC[C@@H]1CN(C(=O)[C@H]2CCCS2(=O)=O)CCCO1 1202107424 AQYZSERBUVLNQY-CHWSQXEVSA-N 314.407 -0.596 30 20 DBED C#CCN[C@H]1C[C@@H](NC(=O)CCCS(N)(=O)=O)C12CCC2 1203326620 VCTUIQOCFJYVEW-NWDGAFQWSA-N 313.423 -0.295 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)C2CC(OC)C2)CC1 1205500393 UFYLGCZNDFQYFR-UHFFFAOYSA-N 321.421 -0.011 30 20 DBED C[C@@H]1C[C@@H](C(=O)N2CCC(CNCC(=O)NCC#N)CC2)CO1 1205552293 FZJMHEXRECKQOR-TZMCWYRMSA-N 322.409 -0.121 30 20 DBED C=CCNC(=O)NC(=O)CN1C[C@@H](NC(=O)[C@@H](C)C#N)[C@H](C)C1 1206641527 VHQDOXWFJZWMJT-QJPTWQEYSA-N 321.381 -0.406 30 20 DBED COCC#CCN1C[C@@H](NC(=O)[C@H]2CN(C)CCO2)[C@H](C)C1 1206739701 QZCNTXBKOBDLJL-RBSFLKMASA-N 309.410 -0.597 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@@H](NCc2ccnn2C)C1 1207870324 WHVMXLHIHAVTTG-CYBMUJFWSA-N 317.393 -0.360 30 20 DBED CC[C@H](C(=O)N1CCC[C@H](NCC(=O)NCC#N)C1)N(C)C 1208411597 YDEJDTDHIREFRD-QWHCGFSZSA-N 309.414 -0.453 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2nnc(C)o2)C[C@H]1OC 1212262384 MVMOVDHIKBPDPV-CHWSQXEVSA-N 322.365 -0.267 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(CCOCCO)C[C@H]1OC 1213961927 WKCXGJDCTMMPMB-MGPQQGTHSA-N 316.398 -0.598 30 20 DBED C=CCOCC(=O)N1C[C@@H](NCCN2C(=O)CCC2=O)[C@H](C)C1 1214329857 MTTNADKMQFWOKP-CHWSQXEVSA-N 323.393 -0.226 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1C[C@@H](NCC(=O)N(C)C)[C@H](C)C1 1214878927 JGVKXNCHPNXQCJ-KFWWJZLASA-N 320.437 -0.391 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CCCCC(N)=O 1218936036 APUPNVOIIWUCLM-UONOGXRCSA-N 307.394 -0.033 30 20 DBED CCNC(=O)NC(=O)CN1CC[C@@H]2CN(C(=O)[C@H](C)C#N)[C@@H]2C1 1221446911 YRIZPIZKGRGJLN-IJLUTSLNSA-N 321.381 -0.476 30 20 DBED N#CCNC(=O)CN1CC[C@@H]2CN(C(=O)[C@@H]3CCCCO3)[C@@H]2C1 1221480542 OBEIMWFQQZCVMZ-MCIONIFRSA-N 320.393 -0.272 30 20 DBED CNC(=O)CC(=O)N1CC[C@H]2CCN(CC#CCOC)[C@H]2C1 1222584217 TUQQNJHNHBQQNZ-KGLIPLIRSA-N 307.394 -0.305 30 20 DBED C#CCN1CCS(=O)(=O)[C@H](CCNC(=O)COCC=C)C1 1230437089 WCOMQONNDZIXCS-CYBMUJFWSA-N 314.407 -0.573 30 20 DBED C#CCN1CCS(=O)(=O)[C@@H](CCNC(=O)COCC=C)C1 1230437092 WCOMQONNDZIXCS-ZDUSSCGKSA-N 314.407 -0.573 30 20 DBED N#CCN1CCS(=O)(=O)[C@H](CCNC(=O)[C@@H]2CCOC2)C1 1230516723 JYRQDFODZYDAMX-VXGBXAGGSA-N 315.395 -0.848 30 20 DBED C=CCNC(=O)CN1CC[C@H]1CN(C)C(=O)[C@H]1CCCN1C 1231255232 KJEFWQHOVIJFQK-UONOGXRCSA-N 308.426 -0.085 30 20 DBED CCS(=O)(=O)NCCN1CC[C@H]1CN(C)C(=O)[C@H](C)C#N 1231294451 YKOWDATZCPYKAJ-NEPJUHHUSA-N 316.427 -0.382 30 20 DBED COCC#CCN1CC[C@H]1CN(C)C(=O)[C@H]1COCCN1C 1233707216 RWDXLZQPXXLFIU-LSDHHAIUSA-N 309.410 -0.501 30 20 DBED C#CCCNC[C@@H]1CCCCN1C(=O)CCn1ncn(C)c1=O 1281871960 GATOZYCZCUCLOH-AWEZNQCLSA-N 319.409 -0.034 30 20 DBED CCOCCONC(=O)NCCN/C(O)=C1/N=CC=CC1=O 1320544639 RRZWERFCXQHNIE-QXMHVHEDSA-N 312.326 -0.220 30 20 DBED C=C(C)COCCNC(=O)C(=O)NC[C@H]1CC(=O)N(C2CC2)C1 1323372755 BRPIDPWXTLVCBG-GFCCVEGCSA-N 323.393 -0.178 30 20 DBED CCN(C[C@@H](C)C#N)C(=O)C(=O)Nc1cnn(CC(=O)NC)c1 1324334905 JUCZWSAJEULINS-JTQLQIEISA-N 320.353 -0.424 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)N2CCC(O)CC2)CCN1C1CC1 1329511147 NMEOUTNBKRGBDW-LBPRGKRZSA-N 306.366 -0.832 30 20 DBED CC(=O)N1C[C@H]2CN(C(=O)C(=O)NCC(C)(C)CC#N)C[C@H]2C1 1331766276 WFAXEJTWGYJSMT-BETUJISGSA-N 320.393 -0.021 30 20 DBED C#C[C@@H](NC(=O)C(=O)N(CC)CCC(=O)NC)[C@H]1CCCO1 1334245427 UKHCIYMUNWOEGR-VXGBXAGGSA-N 309.366 -0.732 30 20 DBED CNS(=O)(=O)NC1CCN(C(=O)CSCC#N)CC1 1344499246 MBFYGPNMQSAAIE-UHFFFAOYSA-N 306.413 -0.712 30 20 DBED C#CCCCNC(=O)C(=O)N1C[C@@H](N)[C@H](c2cnn(C)c2)C1 1345594630 IHJVDFJGVBQBRD-QWHCGFSZSA-N 303.366 -0.797 30 20 DBED C#CCSCCn1nnnc1N1CCn2nc(C)nc2C1 1352339897 PZVFUNSBSMNOIF-UHFFFAOYSA-N 304.383 -0.040 30 20 DBED C#CCSCCn1nnnc1N(C)CCS(=O)(=O)CC 1355606430 XRQTXXROBSQYKG-UHFFFAOYSA-N 317.440 -0.090 30 20 DBED CC(=O)N1CC[C@H](CN(C)C(=O)NCCn2cnc(C#N)n2)C1 1365385302 UNXHLTOGZNXUGT-GFCCVEGCSA-N 319.369 -0.340 30 20 DBED CCN(CCNC(=O)CN(C)C(=O)C1CC1)C(=O)[C@@H](C)C#N 1373843923 BZSDYYUWWFNMOF-NSHDSACASA-N 308.382 -0.021 30 20 DBED CCCN(CCNC(=O)c1ccc(=O)n(C)n1)C(=O)[C@H](C)C#N 1374174554 KXIZCKPXNPADHR-LLVKDONJSA-N 319.365 -0.092 30 20 DBED COCCN(CCNC(=O)c1cnn(C)c1)C(=O)[C@@H](C)C#N 1383295324 RKAYXMYFEULHAZ-NSHDSACASA-N 307.354 -0.215 30 20 DBED COCCN(CCNC(=O)[C@@H](C)NC(C)=O)C(=O)[C@@H](C)C#N 1383298105 WENSAOUREGUYSH-WDEREUQCSA-N 312.370 -0.738 30 20 DBED C[C@H](C#N)C(=O)NCC1CN(C(=O)c2nc3ncccn3n2)C1 1389925467 XWIOMWMZMPXELX-SECBINFHSA-N 313.321 -0.528 30 20 DBED CNC(=O)NCCC(=O)N1CC[C@@](C)(CNC(=O)[C@H](C)C#N)C1 1394405226 WJNASKWMRJRTNL-ABAIWWIYSA-N 323.397 -0.180 30 20 DBED CN(CCNC(=O)CO[C@@H]1CCOC1)c1nccnc1C#N 1396168562 IPYMNRMPWIPMRR-LLVKDONJSA-N 305.338 -0.294 30 20 DBED CCN(CCNC(=O)[C@H](C)C#N)C(=O)C[C@@H]1CCN(C)C1=O 1398132370 DXCZIFFKBKYTGJ-NEPJUHHUSA-N 308.382 -0.021 30 20 DBED C=C(Cl)CN[C@@H](C)CNC(=O)CN1CCC(=O)NC1=O 1399114092 VSCPXOYCZZIUPI-VIFPVBQESA-N 302.762 -0.225 30 20 DBED CNC(=O)NCC(=O)NCC1(NC(=O)[C@@H](C)C#N)CCCC1 1399147313 GEFIROVVXYSEHL-JTQLQIEISA-N 309.370 -0.380 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](C)CNC(=O)c1nc2ncccn2n1 1400069757 PMCATLNVJAVSBA-DTWKUNHWSA-N 301.310 -0.482 30 20 DBED CCN(CCC#N)C(=O)CN1CC(NC(=O)[C@H](C)CC(N)=O)C1 1404812953 WLUDSVYPBTWUHW-LLVKDONJSA-N 323.397 -0.940 30 20 DBED C[C@@H](CN(C)C(=O)c1cc(C#N)c[nH]1)NC(=O)[C@H]1CCC(=O)N1 1405010094 LDAJLWKYVXESHN-GXSJLCMTSA-N 317.349 -0.258 30 20 DBED CCCn1ncc(C(=O)NC[C@@H](O)CNC(=O)[C@H](C)C#N)c1C 1410166237 NNGKLWBSGDQWBC-PWSUYJOCSA-N 321.381 -0.032 30 20 DBED CC[C@@H]1CN(C(=O)Cn2cc(C#N)c(O)nc2=O)CCCO1 1412878119 KBEIBEAERUTHAM-LLVKDONJSA-N 306.322 -0.152 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@@H](CNC(=O)c2cnnc(O)c2)C1 1414202280 QSGZRBVMSRHVCH-ATZCPNFKSA-N 303.322 -0.034 30 20 DBED CC(C)S(=O)(=O)CC(=O)N[C@@H](C)CNC(=O)[C@H](C)C#N 1415259830 UCKXLISEHMHLJH-ZJUUUORDSA-N 303.384 -0.410 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1C[C@H](NC[C@@H](O)Cn2cccn2)C1 1417781772 NPDWPMGRUSSFPB-AAVRWANBSA-N 305.382 -0.112 30 20 DBED C[C@@H](C#N)C(=O)NCC1(N[C@@H](C)C(=O)NC(N)=O)CCCC1 1421811665 DIURHVJGXPELEY-UWVGGRQHSA-N 309.370 -0.252 30 20 DBED COC(=O)[C@](C)(CO)NS(=O)(=O)Cc1ccc(C#N)cc1 1424200202 YINCQPFWIBOCCD-ZDUSSCGKSA-N 312.347 -0.098 30 20 DBED CCC(=O)NCC(=O)N[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 1429824880 OQPMIBLQYIWYSW-NSHDSACASA-N 317.349 -0.257 30 20 DBED C[C@H](CNC(=O)c1ccn2nnnc2c1)CNC(=O)[C@@H](C)C#N 1431056973 SBXWEIIWZZWDQO-UWVGGRQHSA-N 315.337 -0.234 30 20 DBED CN(CCNC(=O)[C@@H]1CCNC(=O)C1)C(=O)c1ccc(C#N)[nH]1 1431187216 SMRVLERNQKWNBA-SNVBAGLBSA-N 317.349 -0.399 30 20 DBED CC(C)n1cc(C(=O)NC[C@@H](O)CNC(=O)[C@@H](C)C#N)cn1 1431562114 GVYQSOUEWUDMAK-JQWIXIFHSA-N 307.354 -0.169 30 20 DBED C[C@@H](Cc1cnc[nH]1)C(=O)NCCn1cc(C#N)c(O)nc1=O 1434206292 FSJBAEHTHFWMNK-VIFPVBQESA-N 316.321 -0.461 30 20 DBED Cc1cc(NC(=O)Cn2c(=O)c(C#N)c(C)n(C)c2=O)n(C)n1 1434456066 UKBXRCWVAIFXDA-UHFFFAOYSA-N 316.321 -0.592 30 20 DBED COC[C@H](NC(=O)NCCn1cc(C#N)c(O)nc1=O)C(C)C 1434775292 OEICWPWCCRPCDA-NSHDSACASA-N 323.353 -0.209 30 20 DBED Cc1nc(O)nc(O)c1CC(=O)N1CCN(C2CC2)[C@H](C#N)C1 1454761380 NDSLVAFZMOUKQG-LLVKDONJSA-N 317.349 -0.063 30 20 DBED C=C(Cl)CN1CC(O)(CNC(=O)[C@@H](C)S(C)(=O)=O)C1 1484280162 QXWJYSPJOGMRET-SECBINFHSA-N 310.803 -0.665 30 20 DBED C[C@@H](C#N)C(=O)N1CC(CNC(=O)CCCn2cncn2)C1 1498696096 DPUZIQOOWNHNTO-NSHDSACASA-N 304.354 -0.207 30 20 DBED CC[C@@H](CNC(=O)Cc1nc[nH]n1)NC(=O)c1ccc(C#N)[nH]1 1499386422 MOFYXFDMHVRFHF-VIFPVBQESA-N 315.337 -0.128 30 20 DBED COCCN(CCNC(=O)[C@H](C)C#N)C(=O)c1ncn(C)n1 1511865892 FDHSQSRBVRXVNE-SNVBAGLBSA-N 308.342 -0.820 30 20 DBED C=CCNC(=O)NC(=O)CN[C@H]1CCN(C(=O)C(F)F)C1 1566758341 IQJDTYWRAVTQJQ-QMMMGPOBSA-N 304.297 -0.546 30 20 DBED C=C(CO)C(=O)Nc1ccc(C(=O)O)cc1OCC(=O)NC 1573338493 CINXLNBNZVPVSB-UHFFFAOYSA-N 308.290 -0.003 30 20 DBED C=C(Cl)CN1CC2(C[C@H](NC(=O)CNC(=O)O)CO2)C1 1573339841 YLOZNQXIEGKTMZ-VIFPVBQESA-N 303.746 -0.034 30 20 DBED C=CCCC[C@H](NC(=O)[C@@H](C)NC(=O)Cn1cnnn1)C(=O)O 1573357367 LZWZFCOFCQZZDW-ZJUUUORDSA-N 324.341 -0.897 30 20 DBED C[C@@H]1CN(c2cnc(C#N)c(-c3nn[nH]n3)n2)C[C@@H](C)C1O 1576366767 UXRDHTSIEBYLBX-HTQZYQBOSA-N 300.326 -0.019 30 20 DBED COC(=O)c1cnc(CNC(=O)N[C@@H]2CNC[C@@H]2C#N)s1 1578882435 IHISIGCLJFSUPM-JGVFFNPUSA-N 309.351 -0.160 30 20 DBED N#CCOc1ccccc1C(=O)N[C@@H]1CC(=O)N(C2CNC2)C1 1580052373 JEMMBYHROJKQTD-LLVKDONJSA-N 314.345 -0.109 30 20 DBED N#Cc1nc(N2CCC[C@@H](OCCO)C2)cnc1-c1nn[nH]n1 1581879357 HMYAKRXIQDENHP-SECBINFHSA-N 316.325 -0.494 30 20 DBED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)NC[C@H]1C[C@H]1C(=O)O 1588536020 TVLRRKPBGCKEAM-DDHJBXDOSA-N 310.350 -0.079 30 20 DBED C=CCNC[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCO1 1588663637 OFEAVGCVCNDHNN-LLVKDONJSA-N 317.353 -0.189 30 20 DBED CC[C@H](C)[C@H](Nc1cnc(-c2nn[nH]n2)c(C#N)n1)C(N)=O 1590867502 DGXUSAZITACJKM-RCOVLWMOSA-N 301.314 -0.160 30 20 DBED C[C@@]1(CCC(=O)O)NC(=O)N(CN2CCOC[C@@H]2C#N)C1=O 1604573085 YYSGOEQZYDJNIN-ZANVPECISA-N 310.310 -0.656 30 20 DBED Cc1c(C(=O)N2CCNC(=O)[C@@H]2CC(=O)O)cnn1CCC#N 1607507658 VLDNNFJSWBDYGT-NSHDSACASA-N 319.321 -0.480 30 20 DBED CCN(C[C@H](C)C#N)C(=O)CN1CCN(C)C[C@H](C(=O)O)C1 1609994234 VOGYLSHLRSYWIU-OLZOCXBDSA-N 310.398 -0.057 30 20 DBED C#CCNCCNC(=O)[C@H]1CCCN(C(=O)c2cncnc2)C1 1752925224 VWLLPNXSGIUHEQ-ZDUSSCGKSA-N 315.377 -0.332 30 20 DBED N#CCNC(=O)CN[C@H]1CCC[C@@H](NC(=O)Cc2nc[nH]n2)C1 1752981436 XXVJGNJAZMZELX-WDEREUQCSA-N 319.369 -0.996 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N(C)CCNC(=O)C(F)F 1753038843 AWXSJBKASQIKEB-MRVPVSSYSA-N 306.313 -0.300 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC[C@@H]1CNC(=O)Cc1cnoc1 1753110625 RGENCDIJJYBTSY-GXTWGEPZSA-N 318.377 -0.064 30 20 DBED C#CCNC(=O)CN1CC[C@@H](N(C)C(=O)c2cc[n+]([O-])cc2)C1 1753429621 BARXUMGXNGJASD-CQSZACIVSA-N 316.361 -0.784 30 20 DBED C=C(C)CN1CCO[C@@H](CNC(=O)CS(=O)(=O)CC)C1 1753657964 LGRIGKIUJCIKTQ-LBPRGKRZSA-N 304.412 -0.186 30 20 DBED C#CCOCCC(=O)N(C)[C@H](C)CN[C@H]1CCC(=O)NC1=O 1753689430 MMKOZMCSMJFFGR-NEPJUHHUSA-N 309.366 -0.732 30 20 DBED C#CCNC(=O)CN[C@@H](CNC(=O)c1ccc(C#N)[nH]1)C(C)C 1753827421 PNQDHUZGHASKJY-AWEZNQCLSA-N 315.377 -0.020 30 20 DBED COCC#CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)CCCCNC(N)=O 1754425372 CUKGLLGIKJPQLB-VNHYZAJKSA-N 322.409 -0.336 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@]1(O)CCN(CCn2cccn2)C1 1754748126 FOKYQQFJXVXSHI-HOTGVXAUSA-N 322.409 -0.237 30 20 DBED C#CCN1CC(O)(CNC(=O)c2ccc(CNC(C)=O)cc2)C1 1754770242 CEYYZESPOIPGFL-UHFFFAOYSA-N 315.373 -0.268 30 20 DBED COc1ccnc(OC)c1C(=O)NCC1(O)CN(CC#N)C1 1754770497 MVYBKKFDNDYPHM-UHFFFAOYSA-N 306.322 -0.601 30 20 DBED C[C@@H](NCC#N)[C@@H]1CCN(C(=O)CN2CCC(=O)NC2=O)C1 1754803526 DMIUTCLHPBBBSO-GHMZBOCLSA-N 307.354 -0.722 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@@H]1CN(C(=O)c2cc[nH]c2)CCO1 1755000717 PMXCLTJDADWUQD-TZMCWYRMSA-N 318.377 -0.417 30 20 DBED CCOc1cnc(C(=O)NC2(CCO)CN(CC#N)C2)cn1 1755343134 FPLZITQEWPXQLQ-UHFFFAOYSA-N 305.338 -0.435 30 20 DBED Cc1ncc(C(=O)N[C@@H](C)C2CN(CC(=O)NCC#N)C2)n1C 1755383708 XGXFRDAJHUZHFY-JTQLQIEISA-N 318.381 -0.582 30 20 DBED C#CCCN1CCO[C@@]2(CCN(C(=O)[C@@H](C)CC(N)=O)C2)C1 1755402581 WPJCILKSZRQGGO-BBRMVZONSA-N 307.394 -0.176 30 20 DBED COCC#CCNC[C@H](O)CN(C)C(=O)c1cnn(C)c1C 1755772970 JQZMVKCUNNLHJD-ZDUSSCGKSA-N 308.382 -0.599 30 20 DBED C#CCOCCC(=O)N(C)C1CC(N[C@H]2CCC(=O)NC2=O)C1 1755856481 AKUNUKLEFXDTIA-BPCQOVAHSA-N 321.377 -0.590 30 20 DBED CCc1ocnc1C(=O)NC[C@@H](CO)NC(=O)C#CC1CC1 1756509619 SHOGFPGOECNOPX-NSHDSACASA-N 305.334 -0.143 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H](C)NC(C)=O)C1 1757309248 IIWTYSOFJYKJPT-OXHZDVMGSA-N 323.393 -0.440 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCO[C@](C)(C(=O)O)C1 1776857437 OJIFLXRRZXISSC-JQWIXIFHSA-N 319.383 -0.112 30 20 DBED C#CCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN)C2 1783164655 PYIWERNZZRTOFN-CZUORRHYSA-N 307.394 -0.128 30 20 DBED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)CC(=O)NC)CCO2 1785421072 KEITVHJSSBFSCV-INIZCTEOSA-N 321.377 -0.634 30 20 DBED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)NC(C)=O)[C@H]2C1 1790869185 YDROMEPOUZPKBI-SAXRGWBVSA-N 321.377 -0.876 30 20 DBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCOC)CCO2 1835236445 NLWFVXWAURUGQD-HNNXBMFYSA-N 310.350 -0.888 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)NC(C)C)c1=O 7394495 RDWFBTOWEXEYCC-UHFFFAOYSA-N 308.338 -0.932 30 20 DBED C[C@H]1CCNC(=O)[C@@H]1NC(=O)CNC(=O)c1ccc(C#N)cc1 195152031 UGCYLGHMNOPOJH-IINYFYTJSA-N 314.345 -0.071 30 20 DBED CCS(=O)(=O)NCCNC(=O)C#Cc1ccc2c(c1)OCO2 268608509 XSJLTUCRYSMYBV-UHFFFAOYSA-N 324.358 -0.178 30 20 DBED N#Cc1ccc(S(=O)(=O)NCCCN2CCNC(=O)C2)cn1 272200567 OMHNTKPPVRITMC-UHFFFAOYSA-N 323.378 -0.947 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@H](C)[C@H]2CO)C1=O 275942540 CFEBRRDRXXVGKU-VHSXEESVSA-N 309.322 -0.808 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N[C@@H]1C(=O)NCC[C@@H]1C 282603596 GFYUWORISYVXDI-UWVGGRQHSA-N 303.384 -0.589 30 20 DBED Cc1ncc(/C(O)=N/[C@@H](C)C(=O)N2CCS(=O)(=O)CC2)[nH]1 328778298 LSNWUZREJQMRFO-QMMMGPOBSA-N 314.367 -0.332 30 20 DBED CCN1CCN(C/C(O)=N/Cc2ccnc(C)n2)C(=O)C1=O 328930919 HQTNGNJBNRMASE-UHFFFAOYSA-N 305.338 -0.068 30 20 DBED O=S1(=O)CCCC[C@H]1C/N=C(/O)CN1CCCS1(=O)=O 329657746 NIGNUBSKQMWRKX-JTQLQIEISA-N 324.424 -0.054 30 20 DBED C/N=C(/O)NCC(=O)N1CCN(C(=O)c2cccc(O)c2)CC1 330500157 NHPVICJHVWDPOE-UHFFFAOYSA-N 320.349 -0.190 30 20 DBED CCOCCN1CCN(C(=O)C(=O)NCCCCC#N)CC1 343160237 KVIYNXWHTRZUSV-UHFFFAOYSA-N 310.398 -0.023 30 20 DBED N#Cc1cccc(CNC(=O)CN2CCO[C@@H](C(N)=O)C2)c1 371474863 NSNFJXZKCVNQDG-CYBMUJFWSA-N 302.334 -0.639 30 20 DBED C#CCN1CCN(C(=O)CN2CC(=O)N(CC3CC3)C2)CC1 491668775 WKYXIKUDWQXEIB-UHFFFAOYSA-N 304.394 -0.725 30 20 DBED C#CCN1CCN(C(=O)CN2CC[C@H](n3cccn3)C2)CC1 491726383 GEZFJVOQRMLMEP-HNNXBMFYSA-N 301.394 -0.093 30 20 DBED C#C[C@H]1COCCN1C(=O)C(=O)NCc1ccc(C(=O)O)cc1 491811563 CALLKESWMGJZGY-ZDUSSCGKSA-N 316.313 -0.138 30 20 DBED N#Cc1ccc(=O)n(CC(=O)NCCCN2CCCC2=O)c1 519651367 QJRWWHAXVQTLRC-UHFFFAOYSA-N 302.334 -0.151 30 20 DBED N#Cc1ccncc1N1CCN(C(=O)CCNC(N)=O)CC1 557747681 YTAJUVJJIOZZHO-UHFFFAOYSA-N 302.338 -0.340 30 20 DBED COC(=O)CN(CC#N)S(=O)(=O)CCCN1CCCC1 601349457 CTTQMPTWENMEPZ-UHFFFAOYSA-N 303.384 -0.199 30 20 DBED C[C@@H](O)[C@@H]1CCN(C(=O)C(=O)N2CCN(CCC#N)CC2)C1 601460117 NFGZAAMGXVKFHA-CHWSQXEVSA-N 308.382 -0.726 30 20 DBED CNC(=O)CNC(=S)NN=C1C(=O)Nc2ccc(F)cc21 731927137 OEWMJFNVNRPWEA-UHFFFAOYSA-N 309.326 -0.308 30 20 DBED C=CC[C@H](C)NC(=O)NCCS(=O)(=O)N1CCOCC1 735096727 VIBOLOQOTLOXPS-NSHDSACASA-N 305.400 -0.088 30 20 DBED C=C(C)[C@H]1OCC[C@H]1CNC(=S)NCCNS(C)(=O)=O 797792006 JBYXICYGLLURTL-WDEREUQCSA-N 321.468 -0.019 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)N(C)CC(F)(F)F)CC1 800046808 XJEMZQSGQJWZIE-UHFFFAOYSA-N 320.315 -0.033 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)C2(F)CCCC2)CC1 831568685 OTWGBRMZNMBZTI-UHFFFAOYSA-N 317.386 -0.120 30 20 DBED C#CCOCCNC(=O)N1CCN(CCOCCOC)CC1 845106184 ICGKWNVYYRFQSH-UHFFFAOYSA-N 313.398 -0.374 30 20 DBED C=C[C@@H](C)ONC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 846543839 SQEXKICQPPPPGD-MRVPVSSYSA-N 307.310 -0.944 30 20 DBED CC(=O)N1CC[C@@H](NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1 856918755 OXGVFLDVNNRYHX-OCCSQVGLSA-N 305.382 -0.011 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H]2C(=O)CC)C1=O 909340530 BYZQMRKCVJFRGE-JTQLQIEISA-N 321.333 -0.067 30 20 DBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)C(N)=O)C1 938020603 UWBPQLLVAOBODE-SRVKXCTJSA-N 309.366 -0.440 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](NC(=O)c2cn(C)c(=O)n2C)C1 938139112 ZZQXIBJBUITOPW-ZJUUUORDSA-N 305.338 -0.786 30 20 DBED O=C(N[C@@H]1CCN(C(=O)C#CC2CC2)C1)c1c[nH]c(=O)cn1 942294812 MAFKXRVKLRTSSN-LLVKDONJSA-N 300.318 -0.486 30 20 DBED C=CCN1CC[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)[C@H](C)C1 943235397 ZNCRPYOEYQFULB-DGCLKSJQSA-N 320.393 -0.290 30 20 DBED C[C@@H]1CN(CC#N)CC[C@@H]1NC(=O)CN1CCC(=O)NC1=O 944017080 SFXGQTHPAAKICF-MNOVXSKESA-N 307.354 -0.722 30 20 DBED Cc1nc(O)[nH]c1C(=O)NC[C@@H]1CN(C(=O)[C@@H](C)C#N)CCO1 944640370 KVPZQEOWZCJVGD-WCBMZHEXSA-N 321.337 -0.459 30 20 DBED N#CCN1C[C@H]2CCN(C(=O)CN3CC(=O)NC3=O)CC[C@H]2C1 946824656 ZPKDAEKNALBBAD-TXEJJXNPSA-N 319.365 -0.768 30 20 DBED CC#CCN1CCOC2(CCN(C(=O)c3nnn(C)n3)CC2)C1 949444427 JLKOWOQIELNNEX-UHFFFAOYSA-N 318.381 -0.460 30 20 DBED CCn1nc(C(=O)NC[C@H]2CCN2C(=O)[C@@H](C)C#N)ccc1=O 951565294 KZFGRASWDMHJQK-WDEREUQCSA-N 317.349 -0.246 30 20 DBED C=CCCn1cc(C(=O)NC[C@@H]2CN(CCF)C[C@@H]2O)nn1 958468252 UUCPEIOXLSXVNM-YPMHNXCESA-N 311.361 -0.154 30 20 DBED C#CCCN1C[C@@H](O)[C@@H](CNC(=O)c2ccc(C(N)=O)cc2)C1 958661474 KTZYKIZXGGAYPA-LSDHHAIUSA-N 315.373 -0.169 30 20 DBED C=C(C)CN1C[C@@H](O)[C@@H](CNC(=O)c2ccc(C(N)=O)cn2)C1 958744115 GLWJXVNTWHGTNW-GXTWGEPZSA-N 318.377 -0.221 30 20 DBED CCOc1cnc(C(=O)NC[C@H]2CN(CC#N)C[C@@H]2O)cn1 958763013 QDHMIZKWHKDXCX-JQWIXIFHSA-N 305.338 -0.579 30 20 DBED CO[C@@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C#N)[nH]2)C1 958826258 NJOYDTCNBHVMAZ-XDTLVQLUSA-N 320.349 -0.435 30 20 DBED C#CCN1C[C@H]2C(NC(=O)c3cn(-c4cccnc4)nn3)[C@@H]2C1 960218293 ZQVQLALRHGLPMM-CHWSQXEVSA-N 308.345 -0.045 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CN(C(=O)[C@H]3COCCO3)C[C@H]2C1 961062460 CTJSOSHTJCJIDD-WUHRBBMRSA-N 307.350 -0.522 30 20 DBED C=CCN1C[C@H]2[C@H](NC(=O)CN3C(=O)NC(=O)C3(C)C)[C@H]2C1 962193971 PVAPXDIKEPKMPZ-IAZYJMLFSA-N 306.366 -0.451 30 20 DBED C#CCCN1CC[C@H](C)[C@H](NC(=O)CN2CC(=O)N(C)C2=O)C1 968537705 DREXTALOJBOSOX-QWHCGFSZSA-N 320.393 -0.270 30 20 DBED C=C(C)C(C)(C)C(=O)N1C[C@H](O)[C@H](NC(=O)c2cnn(C)n2)C1 968878666 ONWHWKMIVIUEKI-NEPJUHHUSA-N 321.381 -0.281 30 20 DBED CN([C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1)[C@H]1CCNC1=O 971375941 FFQIKTRAHXQAEW-STQMWFEESA-N 301.350 -0.079 30 20 DBED N#CCN1CCO[C@]2(CCN(C(=O)CCn3ccnn3)C2)C1 972357748 MJQXDOOGIVJAGA-CQSZACIVSA-N 304.354 -0.505 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2[C@@H]3CN([C@@H](C)C(N)=O)C[C@H]23)cn1 978985490 DKCWLTNMYHEBGT-FBUXBERBSA-N 312.373 -0.156 30 20 DBED C=CCN[C@@H]1CCC[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C1 981125109 QLZFZDUZQNECDF-CHWSQXEVSA-N 320.393 -0.250 30 20 DBED C=CCN[C@H]1CCC[C@@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)C1 981365691 VDJQNCZRZBWZRB-WDEREUQCSA-N 322.365 -0.390 30 20 DBED C=C(Cl)CN[C@@H]1CCN(C(=O)Cn2ncn(C)c2=O)[C@H]1C 986448945 UFUAXMNNRQUSAY-WDEREUQCSA-N 313.789 -0.087 30 20 DBED N#Cc1ccc(C(=O)N2CCCCC[C@H](NC(=O)C(N)=O)C2)[nH]1 987004187 VYTLVRRNPVHMCT-NSHDSACASA-N 317.349 -0.127 30 20 DBED C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2cc(=O)n3[nH]cnc3n2)C1 989671782 DYQSQEKPMVAQQZ-NXEZZACHSA-N 300.322 -0.757 30 20 DBED C#CCN[C@H]1C[C@@H](C)N(C(=O)c2cc(=O)n3[nH]cnc3n2)C1 989671785 DYQSQEKPMVAQQZ-ZJUUUORDSA-N 300.322 -0.757 30 20 DBED C=CCn1cc(C(=O)NC2CN(C(=O)[C@@H]3CCCN3C)C2)nn1 991673765 ORJYHKDGHSGPDG-ZDUSSCGKSA-N 318.381 -0.501 30 20 DBED C=CCCn1cc(C(=O)NC2CN(C(=O)c3cc[nH]n3)C2)nn1 991978515 BCSFXLXLWVXCAC-UHFFFAOYSA-N 315.337 -0.168 30 20 DBED C#CCCN1CC[C@]2(NC(=O)[C@@H]3CC(=O)NC(=O)N3)CCC[C@@H]12 992287577 HZLUNTJKMYIHCU-HWWQOWPSSA-N 318.377 -0.279 30 20 DBED N#Cc1ccc(C(=O)N2CC(NC(=O)[C@@]34COC[C@@H]3C4)C2)[nH]1 993477145 RDXOPAFGIZNIOV-VFZGTOFNSA-N 300.318 -0.137 30 20 DBED Cc1cc(C)n(CC(=O)NC2CN(C(=O)[C@H](C)C#N)C2)c(=O)n1 998450072 KJCQJBFHWSSLJL-SECBINFHSA-N 317.349 -0.653 30 20 DBED C[C@H](C#N)C(=O)N1CCNC(=O)CCN(C(=O)C(F)F)CC1 1001697384 OHUFNLDGNNZZEX-SECBINFHSA-N 316.308 -0.412 30 20 DBED C=CCn1cccc1C(=O)N[C@H](C)C1CN(C(=O)C(N)=O)C1 1006280143 RWHBNWSTLUATQM-SNVBAGLBSA-N 304.350 -0.264 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@H]1CN2C(=O)c1cnn(C)n1 1007411854 XMGKMNFEBDAOTR-GARJFASQSA-N 302.338 -0.210 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CCC(=O)N2)CC1 1010702275 BQUQJDKEPMNURZ-UPJWGTAASA-N 321.377 -0.473 30 20 DBED C=C(C)C(C)(C)C(=O)N1CCN(C(=O)[C@H]2CNC(=O)N2)CC1 1011888332 ISHCERRJBPNNGC-LLVKDONJSA-N 308.382 -0.059 30 20 DBED CC(=O)N1CC[C@@H](C(=O)N2CCN(C(=O)[C@@H](C)C#N)CC2)C1 1011986682 XPHMHHAKOQEQGY-WCQYABFASA-N 306.366 -0.315 30 20 DBED C[C@H]1C[C@H](NC(=O)c2ncn(C)n2)CN1C(=O)C#CC1CC1 1012583254 XPNJLFCUDYXRFN-JQWIXIFHSA-N 301.350 -0.052 30 20 DBED C#CCN1CC[C@@H](NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 1014428082 QSKSLNJIPBPGJZ-VXGBXAGGSA-N 301.350 -0.414 30 20 DBED O=C1NC[C@@H](C(=O)N[C@H]2CCN(CC#Cc3ccccc3)C2)N1 1015634596 MVEPCWUYLNKESC-GJZGRUSLSA-N 312.373 -0.090 30 20 DBED C=CCCn1cc(C(=O)N[C@H]2CCN([C@@H](C)C(N)=O)C2)nn1 1015821032 PVNSQDNXIZCFRZ-QWRGUYRKSA-N 306.370 -0.468 30 20 DBED C=CCCn1cc(C(=O)N[C@H]2CCN([C@@H]3CCNC3=O)C2)nn1 1015821139 RGHTZGPVQQCWMZ-WCQYABFASA-N 318.381 -0.453 30 20 DBED N#CCN1CCC2(CC1)C[C@@H]2NC(=O)c1nnc(O)nc1O 1016710933 WCIRRMCPDKSBSM-QMMMGPOBSA-N 304.310 -0.609 30 20 DBED C#CCOc1ncccc1C(=O)N1C[C@@H](O)[C@H](NC(C)=O)C1 1022852073 RMVDXRZPIYFAKS-CHWSQXEVSA-N 303.318 -0.585 30 20 DBED C#CCN1CCC[C@@H](CNC(=O)[C@@H]2CC(=O)N(CCOC)C2)C1 1023404074 QMCBDZSWFMGIMZ-LSDHHAIUSA-N 321.421 -0.057 30 20 DBED CCCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2O)cn1 1023739831 YUACFDPCPHGFQB-CYZMBNFOSA-N 319.365 -0.246 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@]2(C)CCC(=O)N2)C1 1025508334 XQKJENWBPXEHNN-UVWXRNBGSA-N 323.393 -0.445 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1[C@@H]2CN([C@@H](C)C(N)=O)C[C@@H]21 1026101911 UEXMSFRRGVVNJT-QQKNPXLJSA-N 307.394 -0.112 30 20 DBED N#CCNC1CCC(NC(=O)[C@@H]2CCS(=O)(=O)N2)CC1 1026607732 RXIQRCGDQOPDDH-ILDUYXDCSA-N 300.384 -0.781 30 20 DBED C#CCCN1CCC[C@@H]1CNC(=O)[C@@H]1COCCN1C(C)=O 1028325295 CPBSKHUOMXDMBM-CABCVRRESA-N 307.394 -0.162 30 20 DBED Cn1nnc2c1C[C@@H](C(=O)NC[C@@H]1CCN(CC#N)C1)CC2 1028764577 JUDJLVNDGPGUFK-RYUDHWBXSA-N 302.382 -0.118 30 20 DBED N#CCN1[C@H]2CC[C@H]1CN(C(=O)[C@@H]1CCCN(C(N)=O)C1)C2 1029384705 RTFTXJRHSHOFAH-AGIUHOORSA-N 305.382 -0.024 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCC[C@H](N[C@H](C)C(N)=O)C1 1030019191 HZRAYNDTZVZULR-RDBSUJKOSA-N 306.410 -0.462 30 20 DBED CN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CCN([C@@H]2CCNC2=O)C1 1033017324 HFVHXPHBVCIWSP-DGCLKSJQSA-N 301.350 -0.079 30 20 DBED C=CCCN1CC[C@H](N(C)C(=O)Cn2cnc(C(N)=O)n2)C1 1033095820 GDBGFYFHEAWSML-NSHDSACASA-N 306.370 -0.514 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)c2cc3c(cn2)OCCO3)C1 1035398221 OMORWYSPABWACA-LBPRGKRZSA-N 317.345 -0.083 30 20 DBED C#CCN[C@H]1CCN(C(=O)c2nccnc2C(N)=O)C[C@H]1C 1036286942 TUQYENIXFIRTDF-MNOVXSKESA-N 301.350 -0.351 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)c3nnc(O)nc3O)CC[C@H]21 1036761991 CBDGNLWYXBXFDF-NXEZZACHSA-N 303.322 -0.548 30 20 DBED N#CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)C1(N2CCOCC2)CCC1 1037648597 ZNMPNIFSCCXHQI-RDBSUJKOSA-N 304.394 -0.046 30 20 DBED C#CCOc1ncccc1C(=O)N[C@H]1[C@H]2C[C@H]1N(CC(N)=O)C2 1037681629 CWJNEQRLPTWRRM-SUHUHFCYSA-N 314.345 -0.619 30 20 DBED CN1CC[C@H](N2CC[C@@H]2CNC(=O)c2ccc(C#N)[nH]2)C1=O 1038173574 OQVJKSHDKLKPFB-YPMHNXCESA-N 301.350 -0.079 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2CCN2CCS(C)(=O)=O)nc1 1038943430 QWDTZEQGCPKCDI-CYBMUJFWSA-N 321.402 -0.088 30 20 DBED C=CC(C)(C)C(=O)NC[C@]1(O)CCN(C(=O)c2cnon2)C1 1040489030 VNQQZRMYPTYGOC-CQSZACIVSA-N 308.338 -0.025 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)c2cccnn2)C1 1040675539 GZSJAXDBCOTDHM-HZMBPMFUSA-N 303.322 -0.671 30 20 DBED C[C@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)c2c[nH]c(C#N)c2)C1 1040763893 SLKYUPDQYKALRB-BMIGLBTASA-N 315.333 -0.261 30 20 DBED Cc1nn(C)cc1C(=O)NCC1(O)CN(C(=O)C#CC(C)C)C1 1042151790 YCBHRQIWNKMBPV-UHFFFAOYSA-N 318.377 -0.309 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)c2coc(CC)n2)C1 1042695704 WVTQMEVMJYERDE-UHFFFAOYSA-N 323.349 -0.257 30 20 DBED Cc1ncn(C)c1C(=O)N1CC(O)(CNC(=O)C#CC(C)C)C1 1042941583 ONXPIUGSWGZKDU-UHFFFAOYSA-N 318.377 -0.309 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)CNC(=O)C2CCC2)C1 1043422664 COSZKXIQKQNRCT-UHFFFAOYSA-N 323.393 -0.442 30 20 DBED C=C[C@@H](CC)CC(=O)N1CC(O)(CNC(=O)c2cnn(C)n2)C1 1043890464 LZGVDKHUCZZEIL-NSHDSACASA-N 321.381 -0.280 30 20 DBED C=C[C@H](CC)CC(=O)NCC1(O)CN(C(=O)[C@@H]2CCC(=O)N2)C1 1045069289 RVLBAZJLXIHYBG-NEPJUHHUSA-N 323.393 -0.443 30 20 DBED N#CCN1CC[C@@H](N2CCN(C(=O)[C@H]3COCCO3)CC2)C1 1046006128 GPAYVUSCVCEHCW-ZIAGYGMSSA-N 308.382 -0.856 30 20 DBED N#Cc1ccc(C(=O)N2CCN([C@H]3CCN(CCO)C3)CC2)[nH]1 1046022090 OHEXTVCKKCEGBM-AWEZNQCLSA-N 317.393 -0.289 30 20 DBED Cc1[nH]nc(C(=O)N2CCN([C@@H]3CCN(CC#N)C3)CC2)c1O 1046023219 IIUSSQMYNWHFBJ-GFCCVEGCSA-N 318.381 -0.221 30 20 DBED C=C1CC(C)(C(=O)NCC2(O)CN(C(=O)c3cnn(C)n3)C2)C1 1046306294 FDCUHRMWPQSVKV-UHFFFAOYSA-N 319.365 -0.526 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2cc(=O)c(OC)c[nH]2)C1 1047458018 FKNRMDMSFHQIAY-JSGCOSHPSA-N 319.361 -0.476 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2coc(C(N)=O)c2)C1 1047470298 NDHWDLOPSVPNLY-RYUDHWBXSA-N 305.334 -0.481 30 20 DBED C=CCCCC(=O)N(C)[C@H]1CN(C(=O)c2nnn(C)n2)C[C@@H]1O 1049360678 HMWHWDBZWMCDNK-QWRGUYRKSA-N 322.369 -0.790 30 20 DBED N#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)CN1C(=O)CCC1=O 1049889050 MVTJIIXALXFNNK-VXGBXAGGSA-N 304.350 -0.276 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)[C@@H]1CC(=O)N(CCC)C1 1051137164 LCXUJITUBOETSU-ZIAGYGMSSA-N 307.394 -0.305 30 20 DBED C[C@H](C(N)=O)N1CCN([C@@H]2CCN(C(=O)C#CC3CC3)C2)CC1 1052024721 KYPGSWDPCVCDSG-UKRRQHHQSA-N 318.421 -0.508 30 20 DBED C=CCN1CCN([C@H]2CCN(C(=O)c3cnn(C)n3)C2)CC1 1052098263 HDLQDQKUBDPDFY-ZDUSSCGKSA-N 304.398 -0.167 30 20 DBED N#CCN1CC2(C1)CN(C(=O)[C@@H]1CN3CCC1CC3)CCO2 1053259207 KUDCSGFPBMHPPQ-CQSZACIVSA-N 304.394 -0.235 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)[C@@H](C)S(C)(=O)=O)CCO2 1053310067 WJQUNSWFSGCFDS-GFCCVEGCSA-N 314.407 -0.644 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2COC3(C2)CN(CC(N)=O)C3)cn1 1053984761 DOHBGQCCGPFQHJ-CYBMUJFWSA-N 314.345 -0.879 30 20 DBED Cc1cn2nc(C(=O)N3C[C@H](C)[C@@H](NCC#N)C3)cc2c(=O)[nH]1 1054929959 IVCKERXLEOEWCX-CABZTGNLSA-N 314.349 -0.095 30 20 DBED C=C[C@@](C)(O)CC(=O)N1C[C@H]2CN(C(=O)CC(=O)NC)C[C@H]2C1 1055300945 JYDIUEPNZOIHNN-BFQNTYOBSA-N 323.393 -0.634 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@](CO)(NC(=O)Cc2ccon2)C1 1055847112 HNFOXUTUTFGGCW-NHYWBVRUSA-N 320.349 -0.154 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)[C@@H]1CC(=O)N(C)C1 1057525278 NQASAJFEOIQCLI-CYBMUJFWSA-N 323.393 -0.939 30 20 DBED O=C(C#CC1CC1)N(CCO)CCNC(=O)C12CCN(CC1)C2 1057533509 PXBBPZZLYFEULJ-UHFFFAOYSA-N 319.405 -0.567 30 20 DBED Cc1cnoc1C(=O)NCCN(CCO)C(=O)C#CC1CC1 1057533517 QIOZRNUSWTYFLW-UHFFFAOYSA-N 305.334 -0.053 30 20 DBED C#CCOCCC(=O)N(CCO)CCNC(=O)[C@@H]1CCCO1 1057579966 VDZYDLITNFVBQD-ZDUSSCGKSA-N 312.366 -0.858 30 20 DBED Cc1cc(C#N)nc(N2CC[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)n1 1058544821 JMMSXGTYMOAGQH-WCQGTBRESA-N 314.349 -0.527 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)CCc1nccn1C 1058654980 MRVWUTQDYINJND-GFCCVEGCSA-N 321.381 -0.551 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](CCNC(=O)c2ncn(C)n2)C1 1060289762 SDJOTFUEMHGFSY-MNOVXSKESA-N 304.354 -0.057 30 20 DBED Cc1cc(CC(=O)NC[C@@H]2COCCN2C(=O)[C@H](C)C#N)n[nH]1 1061495416 ASUHJYRKORFZHX-ZWNOBZJWSA-N 319.365 -0.236 30 20 DBED C#CCCCC(=O)NC[C@@H]1COCCN1C(=O)c1cn(C)nn1 1061540787 RLSIDKKZEQQZFR-GFCCVEGCSA-N 319.365 -0.424 30 20 DBED C=CCCOCC(=O)NC[C@H]1COCCN1C(=O)[C@H](C)OC 1061666690 POQAVJMXYPPKKK-STQMWFEESA-N 314.382 -0.042 30 20 DBED CC(C)C#CC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1[C@H]2COC[C@H]21 1061786302 KGPFRHGIPXPRRC-TTZDDIAXSA-N 320.389 -0.118 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)CNC(=O)C1CC1 1061845550 IYZLGUCROQWUAR-ZYHUDNBSSA-N 322.365 -0.984 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)c1cnn(C)c1 1061846077 MZTKOYQPEVYXIY-CMPLNLGQSA-N 305.338 -0.463 30 20 DBED N#Cc1ccc(N2C[C@@H]3C[C@H]2CN3C(=O)c2cncnc2O)nn1 1062539813 CGZSPMNFGDHSNP-QWRGUYRKSA-N 323.316 -0.053 30 20 DBED C=C[C@](C)(O)CC(=O)NC1(CNC(=O)[C@H]2CCC(=O)N2)CCC1 1062706895 FHBZTBPMJVXGMN-ABAIWWIYSA-N 323.393 -0.253 30 20 DBED C#CCNC(=O)CC(=O)NCC1(NC(=O)[C@@H](CC)OC)CCC1 1062829581 SPXWVUVQAAJSBT-GFCCVEGCSA-N 323.393 -0.294 30 20 DBED N#Cc1nccnc1N1C[C@H]2C[C@H]1[C@@H]2NC(=O)Cc1nc[nH]n1 1064293982 DDBVFXULLGUKPJ-DFAYQTQMSA-N 310.321 -0.598 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(C(=O)[C@H]2CCCO2)CCO1 1064816416 AJEHMRUHEBOWMR-ZIAGYGMSSA-N 324.377 -0.451 30 20 DBED C=C[C@H](CC)CC(=O)NC[C@@H]1CN(C(=O)CC(N)=O)CCO1 1065001589 UKWMNANYYXJDNC-VXGBXAGGSA-N 311.382 -0.192 30 20 DBED C#CCCCC(=O)N1CCO[C@@H](CNC(=O)[C@@H](C)NC(C)=O)C1 1065099651 MTMKWYRSXLHCLQ-OCCSQVGLSA-N 323.393 -0.342 30 20 DBED N#Cc1cnc(N2C[C@H]3CN(C(=O)c4nc[nH]n4)C[C@H]3C2)cn1 1066017341 IEXMWRKLTODPAI-AOOOYVTPSA-N 310.321 -0.325 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)CCCN(C)C(=O)[C@H]1CCNC1=O 1067431318 OYRQOOVJEWGLGI-STQMWFEESA-N 323.393 -0.532 30 20 DBED C#CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)Cc2cnc[nH]2)C1 1070038036 GUYSBPSJNDRYJO-KGLIPLIRSA-N 313.365 -0.391 30 20 DBED CN1CCC[C@@H]1C(=O)N1C[C@@H](NCC#N)[C@H](c2cncn2C)C1 1070629218 FMGIRYKKABSTSH-MGPQQGTHSA-N 316.409 -0.078 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@@H](NC(=O)C[C@@H](C)OC)C1 1070635939 BSNVUXUGVZNEEM-CHWSQXEVSA-N 323.393 -0.342 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC[C@@H](NC(=O)CC(=O)NC)C1 1070727313 WOMPIWZZHDXHEX-NWDGAFQWSA-N 309.366 -0.732 30 20 DBED C[C@H](C(=O)N1C[C@@H]2C[C@@H]3CN(CC#N)C[C@]2(C1)O3)n1cncn1 1070789576 CXFIWKLMKCBUQV-QVHKTLOISA-N 316.365 -0.336 30 20 DBED CC#CCCCC(=O)N1CCC[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1 1071122906 FZGHJWDULWEUFK-CHWSQXEVSA-N 320.393 -0.031 30 20 DBED C=CCOCC(=O)N1C[C@@H](NC(=O)CCNC(N)=O)[C@H](C)C1 1071812567 UXVWWNKWZOFUMM-GHMZBOCLSA-N 312.370 -0.790 30 20 DBED C#CCOCCC(=O)N1C[C@H](C)[C@@H](NC(=O)Cn2cccn2)C1 1072096951 GLCPGTOZQAYPOJ-KBPBESRZSA-N 318.377 -0.114 30 20 DBED C=CCN1CCO[C@H]2CCN(C(=O)CS(C)(=O)=O)C[C@@H]21 1074176815 APJSINQRFHXZJY-RYUDHWBXSA-N 302.396 -0.481 30 20 DBED C=CCCC(=O)NCC[C@H](C)NC(=O)CN1CC(=O)N(C)C1=O 1075882997 SEJCQBNLABEWOF-NSHDSACASA-N 324.381 -0.142 30 20 DBED C=CCOCC(=O)NCC[C@H](C)NC(=O)[C@]1(C)CNC(=O)C1 1075921467 YHWLIJDGWNYBJV-NHYWBVRUSA-N 311.382 -0.274 30 20 DBED C=CCOCC(=O)NCC[C@H](C)NC(=O)CCS(C)(=O)=O 1075922559 YAGHSIJANFXCFB-NSHDSACASA-N 320.411 -0.365 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H](C)CCNC(=O)c1cn(C)nn1 1076365219 NVSCJJBFMGZRMV-HZMBPMFUSA-N 309.370 -0.233 30 20 DBED C#Cc1cccc(NC(=O)CN2C[C@@H](O)[C@H](NC(C)=O)C2)c1 1076656982 QIDPUXKYAWFJNU-HUUCEWRRSA-N 301.346 -0.212 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)C1 1077086592 ZFTOCCMOWOUILH-MGPQQGTHSA-N 321.421 -0.182 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)c2ccnn2CCOC)C1 1077197950 OHFLGDUUWHGIJM-TZMCWYRMSA-N 308.382 -0.120 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCn3c(cnc3C)C2)C1 1077671056 WKDCWJKGMDPCNR-BPLDGKMQSA-N 302.378 -0.452 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)c2c(C)c[nH]c2CC(N)=O)C1 1077707487 LDQVBTBOJLYCLU-CHWSQXEVSA-N 318.377 -0.851 30 20 DBED C=CCN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)Cn1c(O)nnc1O)C2 1079094505 MMAKTPGPOGKIAB-GMTAPVOTSA-N 307.354 -0.156 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)C2(C(N)=O)CC2)C1 1080399574 SMYTVRSDHWHYSV-NSHDSACASA-N 323.393 -0.098 30 20 DBED C=CCC(C)(C)C(=O)NC[C@@H]1CN(C(=O)c2cnn[nH]2)C[C@H]1O 1081492564 ZUVLTXYMQMMNFJ-ZYHUDNBSSA-N 321.381 -0.044 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@H](CNC(=O)C(C)(C)C(N)=O)C1 1081558586 LQNIICHEPKPXTF-NEPJUHHUSA-N 323.393 -0.763 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1cccc(C(N)=O)c1 1081862484 BZZMWQBVIIMFEM-CHWSQXEVSA-N 302.334 -0.262 30 20 DBED C=CCN1C[C@@H](NC(=O)c2ccnc3[nH]nnc23)[C@H](OC)C1 1081928398 RXJWBGYGTQNPBO-GHMZBOCLSA-N 302.338 -0.032 30 20 DBED C#CCCN1C[C@@H](NC(=O)[C@@H]2CCCN2C(N)=O)[C@H](OC)C1 1082397238 NZJIVRLSIKSHHK-FRRDWIJNSA-N 308.382 -0.632 30 20 DBED C=CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CC(=O)N(CC)C1 1083098928 MKHIIMGHTHSSMX-HZSPNIEDSA-N 307.394 -0.048 30 20 DBED CN1CC[C@H](C(=O)N2CCO[C@@H]3CN(CC#N)C[C@@H]32)CC1=O 1083123916 ZVLKNNGDSGQQTD-RWMBFGLXSA-N 306.366 -0.710 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@@H]2COCCN2CCCC)C1 1083670858 QLOSDAMJKTUODS-PMPSAXMXSA-N 323.437 -0.328 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)c2c[nH]nc2-c2cnn(C)c2)C1 1083936411 MUSYEMGXCYGRCU-OLZOCXBDSA-N 316.365 -0.229 30 20 DBED N#CCN1CC[C@@H]2CN(C(=O)[C@H]3CCc4nnnn4CC3)[C@@H]2C1 1084674572 KKRZHJQEOBIYJL-YNEHKIRRSA-N 315.381 -0.318 30 20 DBED N#CCN1CC[C@@H]2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)C[C@@H]21 1084960777 MXMMGNRLJJAALD-VWYCJHECSA-N 305.338 -0.969 30 20 DBED CO[C@H]1C[C@H](C(=O)N[C@H]2CCN(CC#N)[C@@H]2C)N(C(C)=O)C1 1088771907 DNWWHFZTSFVZBB-VZZFWQQMSA-N 308.382 -0.275 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(c2ncncc2Cl)C[C@H]1O 1090391216 FMJKVWDSEPNUOR-GHMZBOCLSA-N 312.757 -0.002 30 20 DBED COc1c(C(=O)N[C@@H]2CCN(CC#N)C[C@H]2O)c(C)nn1C 1090616893 SGWSLIPDSXBNDI-GHMZBOCLSA-N 307.354 -0.574 30 20 DBED CC(=O)Nc1cc(C(=O)N[C@H]2CCN(CC#N)C[C@@H]2O)ccn1 1090658445 YOKYTVZDPGVUJF-STQMWFEESA-N 317.349 -0.271 30 20 DBED CC(=O)N(C)CC(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1C 1090677250 AGDIFDYNNCVPRS-ZWNOBZJWSA-N 316.365 -0.233 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2cc3c(nc2O)CCC3)[C@H](O)C1 1090811843 BAOWHUGVDNNXJA-ZIAGYGMSSA-N 316.361 -0.036 30 20 DBED C=CCN1CC[C@@H](NC2CC(CNC(=O)c3cnon3)C2)C1=O 1091291964 CHKHYIKGUCTRJE-HTAVTVPLSA-N 319.365 -0.046 30 20 DBED N#CCN1CC(n2cc(CNC(=O)[C@@H]3CCCOC3)nn2)C1 1094279139 YJRGBXLYXGZUKC-LLVKDONJSA-N 304.354 -0.299 30 20 DBED Cc1ncoc1C(=O)NCc1cn(C2CN(CC#N)C2)nn1 1094283780 HVFMLCWYRLQODS-UHFFFAOYSA-N 301.310 -0.115 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)c3cnnn3C)CC2=O)C1 1094734088 RBOPWZMUIYHDPF-JTQLQIEISA-N 304.354 -0.984 30 20 DBED Cc1ccnn1CC(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1 1094793156 YCQZPZWRSXFBFG-LBPRGKRZSA-N 316.365 -0.884 30 20 DBED CC(C)(C(N)=O)C(=O)NC1CCN(c2ccnc(C#N)n2)CC1 1095433641 ZAZLVLVSODQQTB-UHFFFAOYSA-N 316.365 -0.055 30 20 DBED CN1C[C@@H](C(=O)NCCCN(C)c2ccnc(C#N)n2)CC1=O 1095762112 ZMQILEJXKHGCPM-NSHDSACASA-N 316.365 -0.231 30 20 DBED C[C@@H](CC(N)=O)C(=O)N[C@H]1CCN(c2nccnc2C#N)C1 1096457300 HVWGSTKJHQXVRI-UWVGGRQHSA-N 302.338 -0.445 30 20 DBED C=CCCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN1C(=O)CNC1=O 1096501402 DKTYGNGUVYKHPK-WOPDTQHZSA-N 306.366 -0.164 30 20 DBED N#Cc1cncc(N[C@H]2C[C@H](NC(=O)C3(C(N)=O)CC3)C2)n1 1097097559 KVTDFFGRQMYWHN-KYZUINATSA-N 300.322 -0.327 30 20 DBED C[C@@H](CNC(=O)[C@H]1CN(C)CCO1)Nc1cncc(C#N)n1 1097769016 XTQJHTRPENCETD-CMPLNLGQSA-N 304.354 -0.405 30 20 DBED C[C@H](CNC(=O)C[C@@H]1CC(=O)NC1=O)Nc1ccc(C#N)nn1 1097943493 FYPAQMGFSGPNNC-RKDXNWHRSA-N 316.321 -0.682 30 20 DBED CC(C)C(=O)N(C)CC(=O)NC[C@@H](C)N=c1cc[nH]c(C#N)n1 1098348625 QBIULFDEAWJFPG-LLVKDONJSA-N 318.381 -0.199 30 20 DBED C[C@H](CCNC(=O)[C@@H]1CCC(=O)NC1)N=c1cc[nH]c(C#N)n1 1099775598 WHMPUTISVQLMOW-GHMZBOCLSA-N 316.365 -0.397 30 20 DBED C#CCN1CC[C@H](NC(=O)COCc2nnc(C)s2)[C@H](O)C1 1099905828 FICUVKKQUCNWBI-NWDGAFQWSA-N 324.406 -0.452 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)C/C=C(\C)C=C)[C@@H](O)C1 1099954781 OXAJHVPQEHGNJZ-MXSUSHOISA-N 319.405 -0.190 30 20 DBED Cc1nc(N(C)CCNC(=O)CS(C)(=O)=O)ccc1C#N 1099976541 LONNMHJBSCNNKJ-UHFFFAOYSA-N 310.379 -0.141 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)C2CCN(C)CC2)[C@@H](O)C1 1099979666 YZBHYHDYMWSEIO-CVEARBPZSA-N 323.437 -0.471 30 20 DBED Cc1nsc(N(C)CCNC(=O)Cn2cnnc2O)c1C#N 1100030513 WYDKNZHBNADTQZ-UHFFFAOYSA-N 321.366 -0.127 30 20 DBED C#CCCN1CC[C@H](NC(=O)CCn2cnccc2=O)[C@H](O)C1 1100055446 CNHSJJDDMQAGJF-UONOGXRCSA-N 318.377 -0.792 30 20 DBED C#CCN1CC[C@@H](NC(=O)C2(S(C)(=O)=O)CCC2)[C@H](O)C1 1100057434 FWGVHZVXFXYABR-VXGBXAGGSA-N 314.407 -0.862 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCC1CC(NC[C@@H](O)COC)C1 1100415582 XWDVYOBAKYKVFP-FJBKBRRZSA-N 323.437 -0.424 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H]1CN(CCCOC)C[C@H]1C 1101898098 XMXUGPJSKRYAPT-ZIAGYGMSSA-N 309.410 -0.154 30 20 DBED C[C@@H]1CN(Cc2nc(=O)n(C)[nH]2)C[C@H]1CNC(=O)C#CC1CC1 1101951125 BRBPIODSIHCPFS-DGCLKSJQSA-N 317.393 -0.294 30 20 DBED CNC(=O)CC(=O)N1CC[C@H](CN(C)c2ccc(C#N)nn2)C1 1102439406 CIYZVZGLLAEKPQ-LLVKDONJSA-N 316.365 -0.231 30 20 DBED C[C@@H](CN=c1cc[nH]cc1C#N)N(C)C(=O)[C@H]1CN(C)CCO1 1104539275 XOXLTYNTMKTDSB-SWLSCSKDSA-N 317.393 -0.035 30 20 DBED CN(CCN(C)c1ccncc1C#N)C(=O)CCn1cnnn1 1105445896 BPGDXHUFDYGLQF-UHFFFAOYSA-N 314.353 -0.075 30 20 DBED CO[C@H](C(=O)NC[C@@H](O)CNc1nc(C)cc(C#N)n1)C1CC1 1105832672 FXVURUWLRDUYSR-OLZOCXBDSA-N 319.365 -0.029 30 20 DBED Cn1nncc1C(=O)NC[C@H](O)CNc1ccc(C#N)cn1 1105833757 QKBUZEUPZZXNFE-SNVBAGLBSA-N 301.310 -0.715 30 20 DBED Cc1nc[nH]c1C(=O)NC[C@@H](O)CN=c1cc[nH]cc1C#N 1105888388 RFYMTIPIARKITN-NSHDSACASA-N 300.322 -0.391 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1C 1106076504 YPVYLSYZLQICHR-CHWSQXEVSA-N 305.382 -0.237 30 20 DBED CO[C@@H](C(=O)NC[C@@H](O)CNc1ccc(C#N)nn1)C(C)C 1106092470 GIMQOMJHVCGHQE-WCQYABFASA-N 307.354 -0.092 30 20 DBED C=C1CC(C)(C(=O)NC[C@H](O)CNc2nccn3nnnc23)C1 1106093957 BRLVNYASQXXVJI-SNVBAGLBSA-N 317.353 -0.235 30 20 DBED Cn1cc(C(=O)NC/C=C/CN=c2cc[nH]c(C#N)n2)nc1O 1107486739 VCUMBEBWDJTJCD-NSCUHMNNSA-N 313.321 -0.393 30 20 DBED CN(C)C(=O)CC(=O)NC/C=C/CNc1cnc(C#N)cn1 1107535646 KMODSGRWDDOZAQ-ONEGZZNKSA-N 302.338 -0.089 30 20 DBED C[C@H](C(N)=O)N1CCO[C@@](C)(CNC(=O)c2ccc(C#N)[nH]2)C1 1107876397 JJTRUGIXZRRLTA-BMIGLBTASA-N 319.365 -0.419 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@]1(C)CN(CCCO)CCO1 1107903572 WGUXVJCWNDXHDR-CABCVRRESA-N 300.399 -0.097 30 20 DBED C[C@@H](CNc1cncc(C#N)n1)NC(=O)CCn1cncn1 1108272012 QWIOEYKZEQHTFQ-JTQLQIEISA-N 300.326 -0.053 30 20 DBED CCC[C@@H](NC(N)=O)C(=O)NC[C@@]1(C)CN(CC#N)CCO1 1108367329 DESXVXOEHRVGDX-RISCZKNCSA-N 311.386 -0.446 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)COCC(F)F)CC2=O)C1 1108559297 RIYVWENANHGTNC-JTQLQIEISA-N 317.336 -0.145 30 20 DBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cn1nccn1 1109340098 KUESOWBNOAKWBX-AGIUHOORSA-N 318.381 -0.698 30 20 DBED N#Cc1nccnc1NC[C@H](NC(=O)CNC(N)=O)C1CC1 1109754077 RFKBMBRACWRZIL-JTQLQIEISA-N 303.326 -0.677 30 20 DBED C=CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CC[C@H]1NC(=O)NC1=O 1110078657 XKWDQSNJPLQLHK-WYUUTHIRSA-N 306.366 -0.118 30 20 DBED CN1C[C@@H](C(=O)NCC2(Nc3cnc(C#N)cn3)CC2)NC1=O 1110301857 QIEAVOUNTOPBGT-JTQLQIEISA-N 315.337 -0.567 30 20 DBED C[C@@]1(NC(=O)CNC(N)=O)CCN(c2nccnc2C#N)C1 1110709300 WPHQBKGJOVDJMZ-CYBMUJFWSA-N 303.326 -0.898 30 20 DBED CNC(=O)CC(=O)N1C[C@H](CNc2cncc(C#N)n2)[C@@H](C)C1 1111240602 DTDRSJJDEZHMSV-QWRGUYRKSA-N 316.365 -0.009 30 20 DBED C[C@@H]1CC[C@H](C(=O)N(CCO)CCN=c2cc[nH]c(C#N)n2)O1 1111571964 OYRIFBGPFZKXJH-VXGBXAGGSA-N 319.365 -0.430 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)c2cc(C)nn2C)CC1 1112651870 PBNYLOKWVPYZIM-ZDUSSCGKSA-N 317.393 -0.376 30 20 DBED C[C@H](Nc1cnc(C#N)cn1)[C@@H](C)NC(=O)Cn1cncn1 1113030646 DWMWILQDZJPYLJ-VHSXEESVSA-N 300.326 -0.055 30 20 DBED C[C@H](NC(=O)CCn1cnnn1)[C@H](C)Nc1ccc(C#N)nn1 1113123710 BVQHMOIQDSATEV-UWVGGRQHSA-N 315.341 -0.270 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)[C@H](COC)OC)CC1 1113320693 KOTDDADRPAJDLV-OLZOCXBDSA-N 313.398 -0.517 30 20 DBED C[C@H](CNC(=O)c1cnnn1C)N(C)c1ccnc(C#N)n1 1113589244 QJVYHCIPQBUWHL-SECBINFHSA-N 300.326 -0.269 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)c3ccnc(O)c3)[C@@H]2C1 1114131254 YYUXIYCRQWTSGT-VXGBXAGGSA-N 314.345 -0.803 30 20 DBED C[C@@H](C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21)n1cccc1 1114143816 UOVSVWRDRDKSHG-RMRHIDDWSA-N 315.377 -0.265 30 20 DBED CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NC1[C@H]2CN(CC#N)C[C@H]12 1114770528 WPJKLFCPZXGDKW-AVGNSLFASA-N 316.365 -0.973 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)Cn3ccnc3)[C@H]2C1 1115343541 LBMXZLNOQAXYBO-RMRHIDDWSA-N 317.393 -0.380 30 20 DBED C#CCOCCNC(=O)Cc1ccc(S(=O)(=O)NC)cc1 1116575262 JVNNHEDYCNACKE-UHFFFAOYSA-N 310.375 -0.097 30 20 DBED CC#CCN(C)C(=O)C(=O)N(C)CC(C)(C)S(C)(=O)=O 1119088854 MVNCRJQHNYBUHT-UHFFFAOYSA-N 302.396 -0.250 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)CN2CCCC2=O)nc1 1121023063 CGFRTZZWONVVGD-LBPRGKRZSA-N 317.349 -0.535 30 20 DBED CC(=O)N(C)CC(=O)NC[C@@H](CO)N=c1cc(C)[nH]cc1C#N 1121086391 SWZOQIOPVKPCMD-ZDUSSCGKSA-N 319.365 -0.949 30 20 DBED C#Cc1ccc(C(=O)NC[C@H](CO)Nc2ccc(C#N)nn2)cn1 1121848095 VIDQYKGSRFSPHS-CQSZACIVSA-N 322.328 -0.073 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H](CO)Nc1ccc(C#N)nc1 1122037626 XTHZGAZZMYXAAV-FZMZJTMJSA-N 302.334 -0.119 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC3(CC2)CNC3)C1=O 1122128929 HEQUEPWQBBUZNY-UHFFFAOYSA-N 320.349 -0.825 30 20 DBED Cc1nc(N[C@H](CO)CNC(=O)C(C)(C)C(N)=O)ccc1C#N 1122198952 YCOPJEQNDGQPMZ-NSHDSACASA-N 319.365 -0.338 30 20 DBED CN(C[C@@H](O)CNc1ncccc1C#N)C(=O)[C@H]1COCCO1 1124045912 KPENNDFNVZILRV-QWHCGFSZSA-N 320.349 -0.400 30 20 DBED CN(C[C@H](O)CN(C)c1cnc(C#N)cn1)C(=O)[C@H]1CCCO1 1124940036 NCKMMBVZTRJAOI-CHWSQXEVSA-N 319.365 -0.217 30 20 DBED CO[C@H](C)C(=O)N(C)C[C@H](O)CN(C)c1cnc(C#N)cn1 1124956126 AVMZICNWLHKOSN-ZYHUDNBSSA-N 307.354 -0.361 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)c1nnn(C)c1C 1125169480 CJOQZAGELDMMCU-UHFFFAOYSA-N 321.385 -0.795 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)CN1CCOCC1 1125897777 SGJMQISXTYCBMV-UHFFFAOYSA-N 324.425 -0.775 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(CCC)C[C@@H]1n1ccnn1 1128908481 ZWBJZYBPLIQTNL-OLZOCXBDSA-N 318.381 -0.831 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H](OC)C(C)C)C1 1129228601 ZFULNZDAXLBBBZ-HZSPNIEDSA-N 305.382 -0.076 30 20 DBED NC(=O)CN1CC[C@@H](c2n[nH]cc2CNC(=O)C#CC2CC2)C1 1130389311 NSRLMPVYELSTMV-GFCCVEGCSA-N 315.377 -0.286 30 20 DBED COCC(=O)NCc1nc([C@H]2CC[C@@H](CNCC#N)O2)n[nH]1 1130749250 ALKXJVLEWZEYJZ-VHSXEESVSA-N 308.342 -0.599 30 20 DBED C=CCN1CCOC[C@@H]1c1n[nH]c(CNC(=O)CC(=O)NC)n1 1130845050 AWSZIOGLEFMJLB-SNVBAGLBSA-N 322.369 -0.884 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@H](NC(C)=O)C1CCCC1 1131082851 COJXLPAWHVZJQG-OAHLLOKOSA-N 322.409 -0.864 30 20 DBED C=CCCC(=O)N1CCC[C@@H](N2CCN(CC(N)=O)CC2=O)C1 1131710358 UDKOBWZROIOSOZ-CYBMUJFWSA-N 322.409 -0.427 30 20 DBED C[C@H](C[C@@H](C)NC(=O)CCc1nc[nH]n1)NCC(=O)NCC#N 1134040957 ALDNHGXNPJXQHK-GHMZBOCLSA-N 321.385 -0.750 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1c(C)nn(C)c1OC 1134600590 XZZQCRJQLNBVEO-LLVKDONJSA-N 321.381 -0.806 30 20 DBED C#CCN1CCC2(C1)CN(C(=O)[C@H](C)NS(=O)(=O)CC)C2 1147611313 UHZGLGBMBQFSGL-LBPRGKRZSA-N 313.423 -0.518 30 20 DBED C#CCCN1CCCO[C@@H](CNC(=O)[C@H](C)S(C)(=O)=O)C1 1149904710 VPBHKMQEKFEBNR-STQMWFEESA-N 316.423 -0.350 30 20 DBED C=CCOCCNCCNC(=O)CCCN1C(=O)CNC1=O 1150533547 XEOXNADOVQNNSY-UHFFFAOYSA-N 312.370 -0.773 30 20 DBED C#CCN1CCC(C(=O)NCCN[C@@H](C)c2nncn2C)CC1 1152329860 CKQHHIJKMVKNRN-ZDUSSCGKSA-N 318.425 -0.073 30 20 DBED C#CCOCCC(=O)NC[C@@H](C)N(CC)Cc1nnn(C)n1 1153301844 AWVZJYRVAKTUFA-GFCCVEGCSA-N 308.386 -0.423 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)c1cnnc(O)c1 1153918370 FGVZYXAGDXJAGJ-LLVKDONJSA-N 319.365 -0.628 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)CNC(=O)CCC 1155285844 VGVWERKHOWILPQ-GFCCVEGCSA-N 310.398 -0.864 30 20 DBED CNC(=O)NC(=O)[C@H](C)NCCCNC(=O)c1c[nH]c(C#N)c1 1156852630 HXMWEGOUUVJDOF-VIFPVBQESA-N 320.353 -0.560 30 20 DBED C=CCN(C)C[C@H]1CCCCN1C(=O)C[C@H](NC(C)=O)C(N)=O 1158553922 CPHUNULDWWWRNY-KGLIPLIRSA-N 324.425 -0.135 30 20 DBED C#CCN(C)C[C@H]1CCCCN1C(=O)CS(=O)(=O)N(C)C 1158819038 LEHYMHPCHNZMPG-CYBMUJFWSA-N 315.439 -0.176 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1cn(C(C)(C)C)nn1 1159492682 GXXQWTMKISMKJN-UHFFFAOYSA-N 320.397 -0.508 30 20 DBED N#CCNC(=O)CNCCCNC(=O)[C@H](C1CC1)N1CCCC1 1163223498 JUFASZZQCSPKNU-HNNXBMFYSA-N 321.425 -0.404 30 20 DBED C#CCNC(=O)CNCC1(CCNC(=O)C2=COCCO2)CC1 1163275533 FLOBUULTPSCADE-UHFFFAOYSA-N 321.377 -0.500 30 20 DBED Cn1cc(C(=O)NCCC2(CNCC#N)CC2)c(=O)n(C)c1=O 1167370191 GFNPUTOAXKLNAK-UHFFFAOYSA-N 319.365 -0.903 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)c2cccnn2)C1=O 1168989781 WYIARUJRCSZNSG-ZDUSSCGKSA-N 303.366 -0.027 30 20 DBED C#CCNC[C@@H]1C[C@H]2CC[C@H]1N(C(=O)C1CS(=O)(=O)C1)C2 1177761341 AVZQDYNYJNUGPI-MBNYWOFBSA-N 310.419 -0.119 30 20 DBED CCN(CCC#N)C(=O)CN[C@H]1CCN(C(=O)COC)[C@H]1C 1177973551 YVOVLSANBBMDRF-STQMWFEESA-N 310.398 -0.026 30 20 DBED C#CCCNCCCCCCNC(=O)[C@@H]1CCS(=O)(=O)N1 1180289630 KJMVAQRCXZKMCE-ZDUSSCGKSA-N 315.439 -0.032 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](NCc2nc(N(C)C)no2)C1 1182496321 HPCZKOCDZQLHBC-GFCCVEGCSA-N 321.381 -0.134 30 20 DBED C[C@H]1CN(C(=O)CN2CCCNC2=O)CC[C@@H]1CNCC#N 1184735176 MSDUWQJLYCJBKG-QWHCGFSZSA-N 307.398 -0.001 30 20 DBED CC#CCN[C@@H]1CCN(C(=O)c2cn(CC(=O)N(C)C)nn2)C1 1188124948 HCYLJVQGTSMSJF-GFCCVEGCSA-N 318.381 -0.806 30 20 DBED Cc1nnc(CN2C[C@@H](O)[C@H](NC(=O)CSCC#N)C2)o1 1191161382 AZQFGBPAPBJSPW-NXEZZACHSA-N 311.367 -0.704 30 20 DBED C#CCCN(C)[C@H]1CCN(C(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 1191490733 MWHKVNQBOCXPLO-JSGCOSHPSA-N 315.377 -0.079 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2[nH]cnc2C)C1 1194531069 HOWPTRDHLXLRTP-LBPRGKRZSA-N 303.366 -0.386 30 20 DBED CC(C)(C)C(=O)C(=O)N1CCCN(CC(=O)NCC#N)CC1 1195321125 DFBOUSSWXNYBNA-UHFFFAOYSA-N 308.382 -0.224 30 20 DBED C=C1CCC(C(=O)N[C@@H]2CN(C[C@@H](O)COC)C[C@H]2O)CC1 1195876875 SVEHLYFGGQNHQG-RBSFLKMASA-N 312.410 -0.099 30 20 DBED C#CCN1CCCN(C(=O)CCNC(=O)[C@H]2CCCO2)CC1 1198385501 KBHPQXRXSJHXSD-CQSZACIVSA-N 307.394 -0.161 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)CCS(=O)(=O)N(C)C)C1 1198983021 QNPRIIWJKLTYHY-VXGBXAGGSA-N 319.427 -0.995 30 20 DBED CC(=O)N[C@@H](CCC(C)C)C(=O)N[C@@H]1CN(CC#N)C[C@H]1O 1199559482 HIVRRVXGHABTFI-BFHYXJOUSA-N 310.398 -0.388 30 20 DBED C=CCOCC(=O)N1CCC(NCCS(C)(=O)=O)CC1 1199788264 NLTWOOXYPBAIDP-UHFFFAOYSA-N 304.412 -0.186 30 20 DBED C=CCOCC(=O)N1CCCO[C@@H](CN[C@@H](C)C(=O)NC)C1 1200109608 YCNFZIAGWDYXSI-STQMWFEESA-N 313.398 -0.469 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC(N[C@H]2CCC(=O)NC2=O)CC1 1200532755 XSCBRJHNECDQRS-AAEUAGOBSA-N 321.377 -0.590 30 20 DBED CCN1CCOC[C@H]1C(=O)N1CCCO[C@H](CNCC#N)C1 1200859597 OEYZQAPUPFKZBY-KGLIPLIRSA-N 310.398 -0.562 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)c2[nH]nnc2C)CCCO1 1201121459 XZWCNQPZJUUHIK-CYBMUJFWSA-N 321.381 -0.416 30 20 DBED C#CCCNC[C@H]1CN(C(=O)C2CC(=O)NC(=O)C2)CCCO1 1201629858 OGATXUVVSAHERA-ZDUSSCGKSA-N 321.377 -0.730 30 20 DBED N#CCNC[C@H]1CN(C(=O)CCN2CCOCC2)CCCO1 1201640220 WEKPARXHVUFEPB-AWEZNQCLSA-N 310.398 -0.561 30 20 DBED CC#CCN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)CN1CCNC(=O)C1)C2 1204626900 ILISMRZRHDVDQH-RBSFLKMASA-N 318.421 -0.589 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)C2=COCCO2)[C@H](C)C1 1205815380 LLLITMUMQVCOPA-VXGBXAGGSA-N 307.350 -0.940 30 20 DBED N#CCNC(=O)CN[C@H]1CCCN(C(=O)C2CCOCC2)C1 1207022083 RPXKZSBFVZKVTE-ZDUSSCGKSA-N 308.382 -0.367 30 20 DBED Cc1cc(C(=O)N2CCC[C@H](NCC(=O)NCC#N)C2)on1 1207277519 SBZUTHXREHMXIP-NSHDSACASA-N 305.338 -0.183 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)Cn2cc(C)cn2)C1 1207549636 KVLAHWGKLBSVPD-CQSZACIVSA-N 317.393 -0.478 30 20 DBED COCC#CCN[C@H]1CCCN(C(=O)[C@H]2CCCC(=O)N2)C1 1208387139 NZYXFVAGLUAYOG-UONOGXRCSA-N 307.394 -0.115 30 20 DBED C=CCNC(=O)[C@H](C)N[C@H]1CCCN(C(=O)c2cnn[nH]2)C1 1208486730 RNWGNDRQZZIHKD-QWRGUYRKSA-N 306.370 -0.310 30 20 DBED COCC#CCN1C[C@@H](NC(=O)Cn2cc(C)cn2)[C@H](OC)C1 1211950047 ZWZJAGBYGVYQMC-HUUCEWRRSA-N 320.393 -0.343 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cn[nH]c1 1217350186 VMMLEZWEPGDZJV-QWHCGFSZSA-N 319.365 -0.763 30 20 DBED N#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2ccsc2)C1 1219165465 WHSBPFRFYYXWBB-MNOVXSKESA-N 308.363 -0.837 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CN(Cc2nc(CC3CC3)no2)C[C@@H]1O 1219381335 PEEUCFYVAKDBTQ-JLLWLGSASA-N 319.365 -0.157 30 20 DBED C=CCN1CC[C@H](N2C[C@H](O)[C@H](NC(=O)C#CC3CC3)C2)C1=O 1219591659 OZVLRUAUKLCJDF-ILXRZTDVSA-N 317.389 -0.652 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)CCc2ccon2)C1 1220013026 WQOPTVXKRKBCGH-KGLIPLIRSA-N 307.350 -0.582 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C[C@@H]2C[C@H]2C2CC2)C1 1220033996 LILNZLXUDRCVBI-XQLPTFJDSA-N 321.421 -0.114 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)C2(CF)CC2)C1 1220334340 RCOJQGWMNXRCFM-TUAOUCFPSA-N 313.373 -0.412 30 20 DBED C#CCN1CCC(CNC(=O)CS(=O)(=O)N(C)C)CC1 1225297773 GWFFPQSGZCTBTJ-UHFFFAOYSA-N 301.412 -0.661 30 20 DBED C#CCCN1CCC(CNC(=O)Cn2nc(C)n(C)c2=O)CC1 1225318531 YZHGYOPSSGOINV-UHFFFAOYSA-N 319.409 -0.258 30 20 DBED C[C@@H]1C[C@H](C(=O)NC2CCN(CC(=O)NCC#N)CC2)CO1 1228065567 RFUYLIWXXYOFIB-NEPJUHHUSA-N 308.382 -0.368 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)c2cccnn2)CC1 1229685433 BGRHLMICPKVFHU-UHFFFAOYSA-N 301.350 -0.580 30 20 DBED C=C[C@](C)(O)CC(=O)N(C)C[C@@H]1CCN1CCN1CCNC1=O 1233976263 DGAZFIMYQLMZKE-BBRMVZONSA-N 324.425 -0.129 30 20 DBED C=CCOCC(=O)NCCCN(C)CCN1C(=O)CCC1=O 1235697722 FPWHPRGZWGGYKD-UHFFFAOYSA-N 311.382 -0.224 30 20 DBED C#CCOCCNC(=O)C(=O)NC[C@H](c1ccco1)N(C)C 1260175775 AJECOYRBDJQYRV-GFCCVEGCSA-N 307.350 -0.236 30 20 DBED C=CCOCCNC(=O)C(=O)N(C)C[C@@H]1CCN(C(C)=O)C1 1261582232 LWOYHTLMBMHGLP-ZDUSSCGKSA-N 311.382 -0.368 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)CO[C@@H]1CCOC1 1318910790 PSPUZQGKAUQOMD-VHSXEESVSA-N 300.311 -0.265 30 20 DBED C=CCS(=O)(=O)CCNC(=O)NCc1nncn1CC 1320003849 ONZFBRUGUJAUBE-UHFFFAOYSA-N 301.372 -0.302 30 20 DBED C=C[C@H](COC)NS(=O)(=O)c1cccc(S(N)(=O)=O)c1 1320294986 SMWUYDKSWSCUOG-SECBINFHSA-N 320.392 -0.187 30 20 DBED CN(C)c1ncc(CNC(=O)C(=O)NCCCCC#N)n1C 1322568689 BRDNIDVGMBCSTL-UHFFFAOYSA-N 306.370 -0.088 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)NCCC(=O)N2CCCCC2)CCO1 1324726041 NUTGATWHRJILPW-GFCCVEGCSA-N 322.365 -0.744 30 20 DBED Cc1nc2ncnn2c(C)c1CCC(=O)NCC(=O)NCC#N 1325169285 VRSAMOFWDXKWOY-UHFFFAOYSA-N 315.337 -0.570 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@H](C)C(=O)N1CCS(=O)(=O)CC1 1325291707 SENRAHIDTMLUQY-ZWNOBZJWSA-N 318.395 -0.925 30 20 DBED C=CCN(C(=O)C(=O)N[C@@H]1CCN(C(C)=O)C1)[C@H](C)COC 1331102206 XDIJMCJHWLGTSK-DGCLKSJQSA-N 311.382 -0.227 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCC[C@@H]1C1OCCO1)[C@H]1CCCO1 1334905435 AUURQVBTZPVNEJ-YNEHKIRRSA-N 322.361 -0.353 30 20 DBED Cc1noc(CCCNC(=O)C(=O)N2CC[C@](F)(C#N)C2)n1 1346044930 SYUWOUBMJDTCAH-ZDUSSCGKSA-N 309.301 -0.109 30 20 DBED C=C(C)COCCNC(=O)C(=O)N1CC[C@@H](C2OCCO2)C1 1354753711 YLHHZHKJPTULSS-GFCCVEGCSA-N 312.366 -0.083 30 20 DBED N#Cc1ccnc(C(=O)N2CCS(=O)(=O)[C@H]3COCC[C@H]32)c1 1362537472 TZFDCBRISAMPTP-OLZOCXBDSA-N 321.358 -0.019 30 20 DBED COC(=O)[C@H](NC(=O)Cn1cnc(C#N)n1)c1ccc(O)cc1 1362846912 PXQRJLIVWJPOOY-CYBMUJFWSA-N 315.289 -0.114 30 20 DBED COC(=O)[C@H]1C[C@@H](NC(=O)CCn2cc(C#N)c(O)nc2=O)C1 1362871814 BSYILAHTQSVAJR-WAAGHKOSSA-N 320.305 -0.722 30 20 DBED CC(C)C[C@@H](CO)NC(=O)CCn1cc(C#N)c(O)nc1=O 1363473637 QHDJKLQQULGMGJ-NSHDSACASA-N 308.338 -0.266 30 20 DBED COc1cccnc1CNS(=O)(=O)N1CCO[C@@H](C#N)C1 1363939570 OKHDXHBIEARSIS-JTQLQIEISA-N 312.351 -0.351 30 20 DBED COc1ccc(CNCc2cn(CC(N)=O)nn2)cc1C#N 1364657416 UTKQNSWFYMIQIL-UHFFFAOYSA-N 300.322 -0.067 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)CCc2ccccn2)C1 1371532861 YRPPIZIUMPYRDQ-BNOWGMLFSA-N 316.361 -0.138 30 20 DBED N#Cc1c[nH]c(C(=O)NC2CN(CC(=O)NCC3CC3)C2)c1 1377873832 UWPWNHXBSOAWPS-UHFFFAOYSA-N 301.350 -0.173 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CCN(C(=O)CCN2CCCC2=O)C1 1385633094 JURBKHYJYDNPKJ-VXGBXAGGSA-N 306.366 -0.124 30 20 DBED CNC(=O)NCCC(=O)N1C[C@H]2CCN(C(=O)[C@H](C)C#N)C[C@H]21 1396442228 OBRAINZOSZQPHK-IJLUTSLNSA-N 321.381 -0.476 30 20 DBED CCN(CCNC(=O)c1cc(C(N)=O)c[nH]1)C(=O)[C@H](C)C#N 1408787653 NTCFRRGKBZABHY-SECBINFHSA-N 305.338 -0.148 30 20 DBED CC(C)Cn1ncnc1CN1CC(O)(CNC(=O)[C@H](C)C#N)C1 1421421420 ZBNGCMUREMTOII-GFCCVEGCSA-N 320.397 -0.243 30 20 DBED C[C@@H](C(=O)N1CCC2(CC1)CNC(=O)N2C)n1cnc(C#N)n1 1434111205 QVEFDNHVEOFKOG-JTQLQIEISA-N 317.353 -0.273 30 20 DBED C[C@@H](CNC(=O)Cn1ncnn1)N(C)C(=O)c1c[nH]c(C#N)c1 1442774797 PYAFFMZXFLEBAD-VIFPVBQESA-N 316.325 -0.850 30 20 DBED N#Cc1cn(CC(=O)N[C@H]2CCn3cncc3C2)c(=O)nc1O 1452132842 KUDXRAKAGSFADK-JTQLQIEISA-N 314.305 -0.852 30 20 DBED COC(=O)[C@](C)(CO)NS(=O)(=O)c1cccc(CC#N)c1 1475376785 IHXQRJUJQNKPLM-ZDUSSCGKSA-N 312.347 -0.045 30 20 DBED C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)N(C)Cc1nc(O)n[nH]1 1485290606 YUHZITAJUVHNCR-QMMMGPOBSA-N 303.326 -0.040 30 20 DBED CC(C)COCCC(=O)N1CC[C@H](NCC(=O)NCC#N)C1 1490814823 UCTKGTKLTSEYRG-ZDUSSCGKSA-N 310.398 -0.121 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CCN(C(=O)CNC(=O)C2CC2)C1 1527087673 MPVOYVXTJNJJHV-WDEREUQCSA-N 306.366 -0.363 30 20 DBED C[C@@H](C(=O)NCc1cncc(-c2nn[nH]n2)c1)n1cnc(C#N)n1 1573730315 NTVLACNMVZADEC-QMMMGPOBSA-N 324.308 -0.398 30 20 DBED O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@@H]1C[C@]12CCNC2 1574428319 IGMBVWBWILZGSX-HXFZKJKUSA-N 304.350 -0.371 30 20 DBED C=CCC1(O)CN(C(=O)C[C@@H]2CS(=O)(=O)[C@H]3CNC[C@@H]23)C1 1574899832 JFYHRESTUKWPMB-WOPDTQHZSA-N 314.407 -0.842 30 20 DBED O=C(C#CC1CC1)NC[C@]1(O)CCN(CCc2cnn[nH]2)C1 1577746320 WFEYPTVYZKDLBK-OAHLLOKOSA-N 303.366 -0.686 30 20 DBED C#CCN(CC(=O)O)c1nnnn1Cc1nn(C)cc1Cl 1588427468 ZACCHDYOQHGXML-UHFFFAOYSA-N 309.717 -0.368 30 20 DBED N#CCOC(=O)CNS(=O)(=O)c1ccccc1-c1nn[nH]n1 1592678633 GPKMJWYUEZWICL-UHFFFAOYSA-N 322.306 -0.788 30 20 DBED N#Cc1cccc(C(=O)NCCn2cnc(-c3nn[nH]n3)n2)c1 1592700868 ZLEUZCLPWCFXRI-UHFFFAOYSA-N 309.293 -0.240 30 20 DBED N#Cc1cncc(CNC(=O)Cn2cnc(-c3nn[nH]n3)n2)c1 1592704899 XXYAXPSGXVPRKU-UHFFFAOYSA-N 310.281 -0.959 30 20 DBED CC(C)c1nc(Cn2c(=O)c(C#N)cn(CC(=O)O)c2=O)no1 1603107261 UHSQTLDYLNJREB-UHFFFAOYSA-N 319.277 -0.479 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC[C@H](O)COC)C1 1700635282 XWSMWVKHKDGPHG-VGWMRTNUSA-N 323.437 -0.424 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC[C@H](NC(=O)CCN(C)C)C1 1713791654 NWNNMHNAWPRWEX-KBPBESRZSA-N 308.426 -0.343 30 20 DBED COCC#CCN1CCC[C@@H](NC(=O)c2cnc(O)n2C)C1 1731354129 OEFGUHBYBOOMGK-GFCCVEGCSA-N 306.366 -0.030 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCCN(C)Cc1ncnn1C 1751992244 UESYNRLEVJTZFD-AWEZNQCLSA-N 318.425 -0.149 30 20 DBED C#CCNC(=O)CN(CCCNC(=O)c1cnn[nH]1)C1CC1 1752266838 OIVIJVUWCLFRSR-UHFFFAOYSA-N 304.354 -0.862 30 20 DBED CCNC(=O)NC(=O)[C@@H](C)N[C@H]1CCN(C(=O)C#CC2CC2)C1 1752570848 AFUHGEGHYKAUFN-YPMHNXCESA-N 320.393 -0.176 30 20 DBED CCn1ncc(C(=O)N[C@H]2C[C@@H](NCC(=O)NCC#N)C2)c1C 1752771298 MLAOWJZQRKVBRS-TXEJJXNPSA-N 318.381 -0.298 30 20 DBED C=C(C)CN(CC)C(=O)CN[C@H](C)CNC(=O)[C@H]1CCNC1=O 1752892230 ZJYWWHNEEAPFSU-OLZOCXBDSA-N 324.425 -0.359 30 20 DBED C#CCNC(=O)CNC[C@H]1CCN(C(=O)c2ccncn2)C1 1752954257 QVRFQJCKBIQFFV-GFCCVEGCSA-N 301.350 -0.722 30 20 DBED C=CCCNC[C@H]1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)C1 1752956705 UZVWNJDZSMVTBB-GFCCVEGCSA-N 320.393 -0.288 30 20 DBED CO[C@@H](C)C(=O)N1CCC(CCNCC(=O)NCC#N)CC1 1753564985 GPVALSOJJNVQGS-LBPRGKRZSA-N 310.398 -0.121 30 20 DBED Cc1cc(C(=O)NC[C@H](NCC(=O)NCC#N)C(C)C)cnn1 1753830170 VZMQUBXUDSKMRE-ZDUSSCGKSA-N 318.381 -0.231 30 20 DBED C[C@H](CNCC#Cc1ccc(F)cc1)NC(=O)[C@@H]1CNC(=O)N1 1754240187 HFJWDZKDYWOOEZ-RISCZKNCSA-N 318.352 -0.047 30 20 DBED C=CCNC(=O)CN1C[C@H]2C[C@H]1[C@H]2NC(=O)CSCC#N 1754421139 ZBEMBDVUUJCEDU-SUNKGSAMSA-N 308.407 -0.266 30 20 DBED Cn1ccc(C(=O)N[C@@H](CNCC(=O)NCC#N)C2CC2)c1 1754439420 DLCDBWKAWGNSAU-ZDUSSCGKSA-N 303.366 -0.237 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@H]1CNC(=O)c1cnn(C)c1 1754471773 DHOCCUWFXGRFIF-AAEUAGOBSA-N 303.366 -0.638 30 20 DBED Cn1cncc1CC(=O)NCC1(NCC(=O)NCC#N)CCC1 1754991591 SYCWEZCBDXASJU-UHFFFAOYSA-N 318.381 -0.769 30 20 DBED C=CCNC(=O)[C@@H](C)NC[C@@H]1CN(C(=O)CCOC)CCO1 1754996922 VARSMQAYHYHTTF-CHWSQXEVSA-N 313.398 -0.469 30 20 DBED C#CCN[C@]1(CO)CCCN(C(=O)COCc2ccnn2C)C1 1755086770 XANCBQKBXFMBJT-MRXNPFEDSA-N 320.393 -0.487 30 20 DBED C#CCNC(=O)CN[C@H](C)[C@H](C)NC(=O)CN1CCCCC1=O 1755242909 PTDMWTBRSUXZPJ-OLZOCXBDSA-N 322.409 -0.769 30 20 DBED C#CCNC(=O)CN1CC(CCO)(NC(=O)c2ccoc2C)C1 1755330685 WCQKMVYTRHAXCO-UHFFFAOYSA-N 319.361 -0.496 30 20 DBED CC(C)C#CC(=O)NC1(CCO)CN(CCn2cncn2)C1 1755331195 HFAUCBQRUKFNKR-UHFFFAOYSA-N 305.382 -0.510 30 20 DBED CCOCCNC(=O)CN1C[C@H]2[C@H](CNC(=O)[C@@H](C)C#N)[C@H]2C1 1755420465 MCILKJNJOWJFKU-XDQVBPFNSA-N 322.409 -0.407 30 20 DBED COCC#CCN1CCC[C@H](NC(=O)CCn2cnnn2)[C@H]1C 1755723188 QOQQIMKWUDKOMO-KGLIPLIRSA-N 320.397 -0.318 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC([C@H](C)NC(=O)c2cnon2)C1 1756168020 PCBRAMHNAWIUDF-LKFCYVNXSA-N 308.338 -0.027 30 20 DBED C[C@H](C#N)C(=O)NCCCOCCNC(=O)[C@H]1CCC(=O)NC1 1756399126 WIJRJXURMNOCIS-NEPJUHHUSA-N 324.381 -0.689 30 20 DBED C=CCC(C)(C)C(=O)N[C@H](CO)CNC(=O)[C@@H]1COCCO1 1756503952 SGDRGIHOYHMCPJ-RYUDHWBXSA-N 314.382 -0.403 30 20 DBED O=C(C#CC1CC1)NC[C@H](CO)NC(=O)[C@@H]1CCCOCC1 1756519538 KBFXZJUBXSWPQP-ZIAGYGMSSA-N 308.378 -0.190 30 20 DBED CCOc1cc(C=NNC2=NCC(=O)N2)ccc1OCC(=O)O 1776097467 ILVGFBBQNFMQRJ-UHFFFAOYSA-N 320.305 -0.042 30 20 DBED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)Cn3ccnc3C)C2)C1 1782780005 XYJPJHMHMFADKO-MRXNPFEDSA-N 316.361 -0.345 30 20 DBED C[C@@H](S)C(=O)N1CC2(CCCN2C(=O)COCCO)C1 1845213441 OGVQGDRJHSTHCH-SNVBAGLBSA-N 302.396 -0.483 30 20 DBED C[C@@H](CC#N)N(C)C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 103443137 IYJVQLOQEYRPRK-VIFPVBQESA-N 318.337 -0.806 30 20 DBED CN(C)C(=O)CNC(=O)C(=O)N(CCC#N)Cc1ccco1 164187649 IFZWXLISUOIFCI-UHFFFAOYSA-N 306.322 -0.274 30 20 DBED C=CCN(CCOC)Cc1nc2c(=O)n(C)c(=O)n(C)c2[nH]1 189421317 HYFPQAGIJFAOMP-UHFFFAOYSA-N 307.354 -0.405 30 20 DBED N#CCOc1cccc(CC(=O)N2CCO[C@H](C(N)=O)C2)c1 270479645 JEHDPWLEPPOJEX-ZDUSSCGKSA-N 303.318 -0.156 30 20 DBED C[C@@H]1CN(c2c(C#N)c(=O)n(C)c(=O)n2C)C[C@H](C2CC2)O1 280471004 MZEVIAQBDGLGNJ-BXKDBHETSA-N 304.350 -0.041 30 20 DBED C#CCCS(=O)(=O)N1CCN(c2ncccc2C(N)=O)CC1 288470725 WTESSCUPUFWATR-UHFFFAOYSA-N 322.390 -0.344 30 20 DBED CN(CCS(=O)(=O)c1ccc(C#N)cn1)CC(=O)NC1CC1 290327725 ORUJPFWDGLIFBM-UHFFFAOYSA-N 322.390 -0.063 30 20 DBED C=C[C@@H](CO)NC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C 291232842 KTJIAZBGVZWHLQ-QWHCGFSZSA-N 312.414 -0.225 30 20 DBED CN(C[C@@H](O)CNc1nccnc1C#N)c1nccnc1C#N 292753231 NSIZZEWHCLDYIY-JTQLQIEISA-N 310.321 -0.081 30 20 DBED C[C@@H](CN1CCCC1=O)NS(=O)(=O)N(C)C[C@@H](C)C#N 330371184 HZCPZQDKPFIRAX-QWRGUYRKSA-N 302.400 -0.077 30 20 DBED Cc1nc(S(=O)(=O)NCC(=O)N[C@@H](C#N)C(C)C)cn1C 330922525 RPRVFSJNPCIDLV-JTQLQIEISA-N 313.383 -0.329 30 20 DBED C[C@@H](O)C[C@@H]1CCCN1C(=O)C(=O)Nc1ccn(CCC#N)n1 337546151 ONRSKGXQKQECNG-NEPJUHHUSA-N 319.365 0.497 30 20 DBED COC(=O)c1cc(C(=O)NCC(=O)NCC#N)cc([N+](=O)[O-])c1 343550294 PGGJZZLCSVKXKB-UHFFFAOYSA-N 320.261 -0.249 30 20 DBED C=CCNC(=O)CNC(=O)Nc1c(OC)ncnc1N(C)C 348214650 LAXPJBTULYPNBT-UHFFFAOYSA-N 308.342 -0.025 30 20 DBED CNC(=O)CN1CCN(S(=O)(=O)c2cncc(C#N)c2)CC1 352332807 IGXNKFQKYWEJMG-UHFFFAOYSA-N 323.378 -0.994 30 20 DBED C[C@H](CCO)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N 359391790 QKXYHLHWRXXBAR-SECBINFHSA-N 307.354 0.335 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2CC[C@H](C)O2)C1=O 422474645 HEZNCPCSCORSHG-XQQFMLRXSA-N 323.393 -0.085 30 20 DBED COc1ccnc(CNc2c(C#N)c(=O)n(C)c(=O)n2C)n1 425265727 WQOBGEJLKQXMEW-UHFFFAOYSA-N 302.294 -0.634 30 20 DBED C#CCN1CCN(C(=O)CN2CCn3cnnc3[C@H]2C)CC1 491819693 VEYIFYJUEJVAIQ-CYBMUJFWSA-N 302.382 -0.568 30 20 DBED COc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](C)CC(N)=O 493604230 KTQZCKTZMSZGSF-MRVPVSSYSA-N 304.306 -0.115 30 20 DBED CCOc1ccc(C#N)cc1NC(=O)C(=O)NC(C)(CO)CO 568469042 QPVZPVICJWRCQF-UHFFFAOYSA-N 321.333 -0.245 30 20 DBED CCN(CCC#N)S(=O)(=O)NCCN(C)CCCN(C)C 594821937 QGTDASCOQHSRMH-UHFFFAOYSA-N 319.475 -0.060 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCc2cc(CC)no2)C1=O 607313548 LVWXECPTMDSBAB-UHFFFAOYSA-N 320.305 -0.170 30 20 DBED Cn1cnc(S(=O)(=O)NCC(=O)N2CC[C@@](F)(C#N)C2)c1 615589631 GFFOTWIJUUSABC-LLVKDONJSA-N 315.330 -0.837 30 20 DBED CC#CC[C@H](CO)NC(=O)NCCCN1CCC[C@H](C(N)=O)C1 645305029 KSQJZUTZACXBIA-UONOGXRCSA-N 324.425 -0.353 30 20 DBED C=C(CNc1nccn(C)c1=O)CNc1nccn(C)c1=O 664629472 VRPJUVOKKQCOEG-UHFFFAOYSA-N 302.338 -0.046 30 20 DBED C=CCN(CCOC)C(=O)N[C@H]1CS(=O)(=O)C[C@H]1OC 666103973 ZCUQFIQDVLZOMO-WDEREUQCSA-N 306.384 -0.358 30 20 DBED C=CCNC(=O)[C@H](C)OC(=O)CNS(=O)(=O)CCCC 760692442 VSXNHSXCTVOGIR-JTQLQIEISA-N 306.384 -0.060 30 20 DBED C#CCC[C@H](O)CNC(=O)NCCCN1CCC[C@@H](C(N)=O)C1 798418848 QAEWGTUBMVJDKI-KGLIPLIRSA-N 324.425 -0.353 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CC[C@@](C)(C(N)=O)C1)[C@@H]1CCCO1 809308672 MWSQXDKVEUEHGJ-ZIBATOQPSA-N 307.350 -0.993 30 20 DBED C#C[C@H](NC(=O)C(=O)N(C)CCN1CCCC1)[C@H]1CCCO1 809313190 ROLWXNSVXNVGDF-UONOGXRCSA-N 307.394 -0.162 30 20 DBED COc1cncc(C(=O)NS(=O)(=O)c2cncc(C#N)c2)n1 813980094 PXUGGFKDCHTOPC-UHFFFAOYSA-N 319.302 -0.129 30 20 DBED C=C(CO)C(=O)N(C)CCOc1ccc(S(N)(=O)=O)cc1 817221243 ASNFLQLXRSGALI-UHFFFAOYSA-N 314.363 -0.280 30 20 DBED C[C@](C#N)(CC(=O)O)C(=O)NC[C@H]1CCC[C@@]12NC(=O)NC2=O 819834234 MBOIOWBPAITUDJ-GFWSLJDESA-N 322.321 -0.515 30 20 DBED C[C@@](C#N)(CC(=O)O)C(=O)NC[C@H]1CCCN1S(C)(=O)=O 819841905 GPGVMUPRXTXZDO-SKDRFNHKSA-N 317.367 -0.469 30 20 DBED C#CC[C@H](CO)NC(=O)c1ccc(OC)c(-n2cnnn2)c1 820064867 NXAACQBHNVNZHL-LLVKDONJSA-N 301.306 -0.215 30 20 DBED N#CCN1CCN(C(=O)[C@H]2CNC(=O)C[C@H]2C(F)(F)F)CC1 820146836 WCEVRDWCOUWTQB-VHSXEESVSA-N 318.299 -0.031 30 20 DBED C=CCNC(=O)CNC(=O)NCc1ccc(-c2nn[nH]n2)cc1 823919332 CKULWGHFQSAZTE-UHFFFAOYSA-N 315.337 -0.032 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N1CCN(C(=O)O)CC1 833377737 ATLCUQATGKSBKO-UHFFFAOYSA-N 305.356 -0.408 30 20 DBED N#C[C@@H]1CNC[C@H]1NC(=O)CN1CCN(c2ccccn2)CC1 834499587 JZNLOZLTPBTMTL-ZIAGYGMSSA-N 314.393 -0.569 30 20 DBED C#CCSCCNC(=O)N[C@H](CC)CNS(C)(=O)=O 838485646 ITFWKZKHSCEZKG-SNVBAGLBSA-N 307.441 -0.020 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N1CCOC[C@H]1CC(=O)O 844793934 VLYKSCLFCRTXKZ-NXEZZACHSA-N 305.356 -0.359 30 20 DBED C#CCCS(=O)(=O)NC(=O)C1(n2cnnn2)CCCCC1 845546468 YMRFIQNBUKSEBS-UHFFFAOYSA-N 311.367 -0.198 30 20 DBED C=C[C@H](CO)NC(=O)Cn1c(=O)n(CC)c(=O)c2ccccc21 856274833 BARNQFJUJQOGFB-LLVKDONJSA-N 317.345 -0.154 30 20 DBED C#C[C@H](NC(=O)C(=O)NCc1cnnn1CC)[C@@H]1CCCO1 875324604 MDSJCLYGAOFWIM-RYUDHWBXSA-N 305.338 -0.789 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N1CCN(CCC#N)CC1 875598248 SYWBNRFBUGVBFE-AWEZNQCLSA-N 320.393 -0.411 30 20 DBED C#CC1(O)CN(C(=O)NCCc2cccc(C(=O)NC)c2)C1 893133787 GARUVIGMXXYWHR-UHFFFAOYSA-N 301.346 -0.022 30 20 DBED CNC(=O)CNC(=S)NN=Cc1cccc(C(=O)N(C)C)c1 901188876 MYAIEKHENMLWOE-UHFFFAOYSA-N 321.406 -0.068 30 20 DBED C#CCNC(=S)N[C@@H]1CCCN(CCN2CCOCC2)C1 905556439 RPLLESUXOVRXCZ-CQSZACIVSA-N 310.467 -0.120 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)c1nnn(C)n1 939108061 OEOGYIKOMGSHOI-MWLCHTKSSA-N 302.338 -0.800 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2cc(=O)n3[nH]cnc3n2)C[C@H]1C 939526109 ZJTXJXGUHWUZAQ-MWLCHTKSSA-N 300.322 -0.899 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](NC(=O)c2cc(C(N)=O)cn2C)C1 941798294 YRSASCDJWZFXRO-MWLCHTKSSA-N 317.349 -0.386 30 20 DBED Cc1nc[nH]c1C(=O)NC[C@H]1CN(C(=O)[C@H](C)C#N)CCO1 944666379 TXDFJMGBMVLURL-KOLCDFICSA-N 305.338 -0.165 30 20 DBED C[C@H](C#N)C(=O)N1CCC(NC(=O)CN2CCOCC2)CC1 948096972 VBXAYNZGGJWPNO-GFCCVEGCSA-N 308.382 -0.415 30 20 DBED CC#CCN1C[C@@H](O)[C@H](CNC(=O)c2cc3n(n2)CCC3)C1 958126110 HUGTVOGZHHJZNH-IUODEOHRSA-N 302.378 -0.125 30 20 DBED Cc1nnc2ccc(C(=O)NC[C@@H]3CN(CC#N)C[C@H]3O)cn12 958199241 GAJXHRJYNYMHAE-CHWSQXEVSA-N 314.349 -0.416 30 20 DBED CC#CCN1C[C@@H](O)[C@H](CNC(=O)c2cn(C)nc2OC)C1 958308914 CTWBLDFMZQUJPJ-DGCLKSJQSA-N 306.366 -0.526 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2ccc3oc(O)nc3n2)C1 958580984 LTGVUFIBVIFVND-MWLCHTKSSA-N 316.317 -0.416 30 20 DBED N#CCN1C[C@H](O)[C@H](CNC(=O)c2cc3c(cn2)OCCC3)C1 958630653 KCCLDUTWPWZKOF-OCCSQVGLSA-N 316.361 -0.047 30 20 DBED C=CCN1CC[C@H](N2C[C@H]3[C@H](NC(=O)c4nc[nH]n4)[C@H]3C2)C1=O 962085263 OPEVKOLMIWXHLM-WHOHXGKFSA-N 316.365 -0.748 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(C1)CN(C(=O)[C@H]1CCCO1)CCO2 965299945 PPJSGLJUEATVPG-NWDGAFQWSA-N 307.350 -0.235 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@H](NC(=O)c2cncnc2O)C1 967738002 QFGXUZAHZCDOEG-MNOVXSKESA-N 320.349 -0.304 30 20 DBED C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)CN2CC(=O)NC2=O)C1 968431111 JBCXWSVIATVIPT-NEPJUHHUSA-N 308.382 -0.059 30 20 DBED C#CCN1CC([C@H](C)NC(=O)[C@H]2CC(=O)N(CCOC)C2)C1 969789786 RPULVTDJDUCJED-STQMWFEESA-N 307.394 -0.449 30 20 DBED Cc1ncc(C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2O)n1C 969958010 PPJLXKBQJVWQFG-OCCSQVGLSA-N 316.361 -0.557 30 20 DBED C=C(C)CN[C@@H]1CCN(C(=O)Cn2ncn3nccc3c2=O)C1 970160613 GRGXJEHCCHBHSD-GFCCVEGCSA-N 316.365 -0.342 30 20 DBED C=CCn1cc(C(=O)N2CC[C@@H](NCc3n[nH]c(C)n3)C2)nn1 970205410 JOYADEDCLKUUAF-LLVKDONJSA-N 316.369 -0.105 30 20 DBED C#CCN1C[C@H]2CC[C@H]1CN2C(=O)c1cn(C)c(=O)n(C)c1=O 971881909 KNOJNDWECBPDHM-NWDGAFQWSA-N 316.361 -0.994 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)Cn3nccn3)[C@@H]2C1 972353571 RPRIBTCYCGZLSX-IJLUTSLNSA-N 302.338 -0.503 30 20 DBED CCN1CCO[C@@H](C(=O)N2CC[C@]3(CN(CC#N)CCO3)C2)C1 972682105 CRDQIBUICXFUQH-ZBFHGGJFSA-N 322.409 -0.466 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)c3cccn(C)c3=O)[C@H]2C1 976911695 IHUIWRMULGLUNX-FTYKPCCVSA-N 314.345 -0.268 30 20 DBED N#Cc1ccc(C(=O)N2C[C@@H]3[C@@H](CC[C@H]3NC(=O)C(N)=O)C2)[nH]1 979799466 AKVKVDJCWSMPHZ-JMJZKYOTSA-N 315.333 -0.662 30 20 DBED N#Cc1ccc(C(=O)NC[C@H]2CC[C@@H](NC(=O)C(N)=O)C2)[nH]1 981175073 CGJNDXHBWJTXNL-DTWKUNHWSA-N 303.322 -0.614 30 20 DBED C#CCN[C@@H]1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)[C@H]1C 987193243 YHYQKNHVVZYKLQ-NWDGAFQWSA-N 304.350 -0.861 30 20 DBED Cn1nccc1C(=O)N[C@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1O 991322335 AXQSLPMPTNXRKP-JSGCOSHPSA-N 316.361 -0.475 30 20 DBED N#CCN[C@@H]1CCC[C@@H]2CN(C(=O)CN3CCNC(=O)C3)C[C@@H]21 992773861 DLMFYGZPPHIJEW-HZSPNIEDSA-N 319.409 -0.842 30 20 DBED CC#CCN1CCC[C@H](NC(=O)Cn2c(O)nnc2O)[C@@H]1C 994295487 LSMWVYYXYUQDTN-QWRGUYRKSA-N 307.354 -0.318 30 20 DBED COCCN1C[C@@H](C(=O)N2CCC(NCC#N)CC2)CC1=O 996658666 ZYAXCARTMZNVIN-LBPRGKRZSA-N 308.382 -0.415 30 20 DBED CN1CC[C@@H](C(=O)N2CCC[C@@H](NCC#N)C2)S1(=O)=O 1000427775 PVGJOMZGHVKRJD-MNOVXSKESA-N 300.384 -0.876 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CC(N)=O)c1 1001894838 OOMWBWSPFRXEPO-FOGDFJRCSA-N 315.333 -0.377 30 20 DBED CC1(C)CN(C(=O)C#CC2CC2)C[C@@H]1NC(=O)[C@H]1CCNC1=O 1008402552 RJIWFDISMJXIDT-STQMWFEESA-N 317.389 -0.111 30 20 DBED CC#CCN1CCC[C@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)C1 1009413213 AYTMPUZWJGAEFM-LBPRGKRZSA-N 320.393 -0.079 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CCN([C@@H]3CCCNC3=O)C2)c1 1010458902 VFLOQXIYLAWFOS-DGCLKSJQSA-N 301.350 -0.031 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CCN([C@H]3CCCNC3=O)C2)c1 1010458906 VFLOQXIYLAWFOS-YPMHNXCESA-N 301.350 -0.031 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CCNC2=O)CC1 1011901478 CDAOZFSQXSSGDB-AGIUHOORSA-N 321.377 -0.616 30 20 DBED O=C(C[C@@H]1COC(=O)C1)NC1[C@H]2CN(C(=O)C#CC3CC3)C[C@H]12 1012955023 AYUHDWHAJZITLB-AVGNSLFASA-N 316.357 -0.074 30 20 DBED C=C(C)C(C)(C)C(=O)N1C[C@H]2C(NC(=O)[C@@H]3CNC(=O)N3)[C@@H]2C1 1013681595 RQXJAGWODTXQLD-MXWKQRLJSA-N 320.393 -0.157 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCN(Cc2nnnn2C)C1 1014460802 NMSQZUBTTPPXOZ-UPJWGTAASA-N 320.397 -0.118 30 20 DBED C=C(C)CN1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CCS(=O)(=O)N1 1018281735 DXUPEZAHULDVKT-FRRDWIJNSA-N 313.423 -0.071 30 20 DBED N#Cc1ccc(CN[C@H]2CCN(C(=O)[C@H]3CNC(=O)N3)C2)s1 1019309003 NFPGOEAYLGGXBX-JOYOIKCWSA-N 319.390 -0.008 30 20 DBED N#CCN[C@H]1C[C@H](NC(=O)c2ccc(OCC(N)=O)cc2)C1 1020370473 KIOUCHYBLMMDTG-HAQNSBGRSA-N 302.334 -0.075 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C2(C)CC2)C[C@H]1O 1024358483 LHOXOXVDZYDHQE-HZSPNIEDSA-N 319.405 -0.428 30 20 DBED N#CCN[C@@H]1CC[C@@H]2CN(C(=O)CCN3C(=O)CCC3=O)C[C@@H]21 1026306323 KQDXYQRLRQDTSK-FRRDWIJNSA-N 318.377 -0.124 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)[C@@H]3CCCNC3=O)C2)C1=O 1030478267 DTHPPGYQIMYXFP-CHWSQXEVSA-N 320.393 -0.900 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)c3nonc3C)C2)C1=O 1031479828 PNCORSHEEQJWHK-NSHDSACASA-N 305.338 -0.421 30 20 DBED C#CCN1CCCC[C@@H](NC(=O)[C@H]2CN(C(C)=O)CCO2)C1 1034506692 CNYMGDHIGXTXJS-HUUCEWRRSA-N 307.394 -0.162 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)c3nnc(O)nc3O)CC[C@@H]21 1036761994 CBDGNLWYXBXFDF-ZJUUUORDSA-N 303.322 -0.548 30 20 DBED CC(C)C#CC(=O)NC[C@]1(O)CCN(C(=O)CN2CCCC2)C1 1039667640 GMDMIVIYCUOOMV-QGZVFWFLSA-N 321.421 -0.179 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)c2ccncn2)C1 1040657410 ZOENOCFBVKWZMK-QMTHXVAHSA-N 303.322 -0.671 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)CCCN(C)C)C1 1040720869 MMZSJDOFJYIVHD-SWLSCSKDSA-N 310.398 -0.433 30 20 DBED C=C[C@@](C)(CC)C(=O)NC[C@@]1(O)CCN(C(=O)CC(N)=O)C1 1040812252 IMLYYTHBAQQPEB-GJZGRUSLSA-N 311.382 -0.456 30 20 DBED N#Cc1nccnc1N1C[C@@H](O)[C@H](NC(=O)c2cnns2)C1 1040942522 BATWMINHPTXLKN-RKDXNWHRSA-N 317.334 -0.821 30 20 DBED C=CCOCC(=O)N1CC[C@](O)(CNC(=O)c2ccnnc2)C1 1041016180 QRDXYIIWQHXZBT-HNNXBMFYSA-N 320.349 -0.628 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(O)(CNC(=O)c2cn[nH]c2)C1 1041657744 QWGJXFDURYYCRX-CYBMUJFWSA-N 308.338 -0.960 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)[C@]2(C)CNC(=O)C2)C1 1041969455 MQWLTOKAQCZEPD-AWEZNQCLSA-N 309.366 -0.832 30 20 DBED C=C(Cl)C(C)(C)C(=O)N1CC(O)(CNC(=O)CC(N)=O)C1 1042219928 FNUQKGUDGWRPDK-UHFFFAOYSA-N 317.773 -0.670 30 20 DBED CC(C)(C)C#CC(=O)NCC1(O)CN(C(=O)[C@@H]2CCOC2)C1 1042966166 PQWONUNOGQSQRQ-GFCCVEGCSA-N 308.378 -0.238 30 20 DBED C#CCC1(C(=O)NCC2(O)CN(C(=O)COC)C2)CCOCC1 1043353248 SHRYCEPBDMZXCE-UHFFFAOYSA-N 324.377 -0.858 30 20 DBED Cc1cnn(CCC(=O)NCC2(O)CN(C(=O)[C@H](C)C#N)C2)c1 1043428311 YVEIKDBXJXQELO-GFCCVEGCSA-N 319.365 -0.569 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2[nH]cnc2C)C1 1043823817 YILJEEMPBCPOGU-NSHDSACASA-N 320.349 -0.940 30 20 DBED CC#CCN1CC[C@@H](N2CCN(C(=O)c3[nH]nnc3C)CC2)C1 1046050837 QQLBBWQURZOLEJ-CQSZACIVSA-N 316.409 -0.031 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)COc2ccccc2)C1 1046442788 OEDHGBRBFIBZPW-LBPRGKRZSA-N 317.345 -0.085 30 20 DBED C#CCCN1CC[C@@](C)(NC(=O)c2cc(=O)n3[nH]cnc3n2)C1 1046768867 JFLASFWZXROJMX-OAHLLOKOSA-N 314.349 -0.365 30 20 DBED C#CCCCCC(=O)N(C)[C@H]1CN(C(=O)c2cnon2)C[C@@H]1O 1048711879 GQYKFEAJKJZTPR-STQMWFEESA-N 320.349 -0.093 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2n[nH]cc2F)C1 1049464053 POGGMUZULKMDDM-RYUDHWBXSA-N 322.340 -0.004 30 20 DBED N#CCN1CCN([C@@H]2CCN(C(=O)[C@@]3(F)CCOC3)C2)CC1 1052070648 KPMNJNPEIPNUTQ-UKRRQHHQSA-N 310.373 -0.143 30 20 DBED C#CCN1CC2(C1)CN(C(=O)[C@@H]1CN(C(C)C)CCO1)CCO2 1053392725 GBCFOOGAKNYRJE-HNNXBMFYSA-N 321.421 -0.358 30 20 DBED C#CCCN1CC2(CC[C@H](CNC(=O)[C@@H]3CC(=O)N(C)C3)O2)C1 1053605933 DVOIVUAULVMUDD-ZIAGYGMSSA-N 319.405 -0.162 30 20 DBED C=C(C)CN1CC2(C[C@@H](NC(=O)[C@@H]3COCCN3C)CO2)C1 1053782115 FSEPRXCFSORBFC-KGLIPLIRSA-N 309.410 -0.147 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)[C@H](C)N3C(=O)CCC3=O)CO2)C1 1053820813 MJIHOQKLPKYJIJ-NWDGAFQWSA-N 319.361 -0.883 30 20 DBED Cc1nc(C(=O)N[C@H]2COC3(C2)CN(CC#N)C3)c(=O)[nH]c1C 1053843118 FMJMNFSVYDJFPG-LLVKDONJSA-N 317.349 -0.517 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)C3CCC(C(N)=O)CC3)CO2)C1 1053855371 LSDSSVDHNMPSRF-RUXDESIVSA-N 319.405 -0.129 30 20 DBED COC[C@@H](OC)C(=O)N1C[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2C1 1055451396 ZIIANGFIXUENLO-FVCCEPFGSA-N 309.366 -0.276 30 20 DBED C=CCCC(=O)N1CCC[C@@](CO)(NC(=O)c2cnn[nH]2)C1 1056002570 QEOVYALBGISTDG-CQSZACIVSA-N 307.354 -0.146 30 20 DBED N#Cc1nccnc1N1C[C@H]2[C@H](NC(=O)Cc3cc[nH]n3)[C@H]2C1 1056163943 SEYARKHOINGEPB-YABSGUDNSA-N 309.333 -0.135 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)COC(C)C 1057135587 QOPWAWOVLNYSCL-UHFFFAOYSA-N 302.371 -0.449 30 20 DBED Cn1nnc(C(=O)N2CCC(N=c3cc[nH]c(C#N)n3)CC2)n1 1057405009 HDKYBRZRKBOYMY-UHFFFAOYSA-N 313.325 -0.990 30 20 DBED C=C[C@](C)(O)CC(=O)N(CCO)CCNC(=O)[C@H](O)C(C)C 1057450765 YRVCUUSAKRHWAQ-HIFRSBDPSA-N 316.398 -0.733 30 20 DBED C#CCOCCC(=O)N(CCO)CCNC(=O)C(C)(F)F 1057579094 ITTNSGVGVKJJMN-UHFFFAOYSA-N 306.309 -0.381 30 20 DBED Cn1oc(C(=O)N2CC[C@H](Nc3cncc(C#N)n3)C2)cc1=O 1058855569 DBHVGPRURNYMKZ-VIFPVBQESA-N 314.305 -0.033 30 20 DBED CN1C[C@H](C(=O)N2CC[C@H](Nc3ncccc3C#N)C2)NC1=O 1059022881 GLXLLCYNWXFJKQ-NWDGAFQWSA-N 314.349 -0.010 30 20 DBED N#Cc1cnc(N[C@H]2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)cn1 1059066872 GAXCGOYKNDHLLS-GDPRMGEGSA-N 300.322 -0.518 30 20 DBED N#Cc1cncc(N[C@H]2C[C@H](NC(=O)[C@@H]3CCNC(=O)C3)C2)n1 1059184893 VARBXSTZLNPUFK-GMTAPVOTSA-N 314.349 -0.066 30 20 DBED C=CCO[C@H](C)C(=O)N1CC[C@H](CCNC(=O)CC(N)=O)C1 1059831704 WLRSZBQFECVEJW-NEPJUHHUSA-N 311.382 -0.192 30 20 DBED N#Cc1ccc(N2CCC[C@@H]2CNC(=O)[C@@H]2CNC(=O)N2)nc1 1061441509 XHRSUMUZGFRQQJ-NEPJUHHUSA-N 314.349 -0.280 30 20 DBED CNC(=O)CC(=O)N1CCOC[C@@H]1CNC(=O)C#CC(C)C 1061566804 VMEHCFDLNLRYMO-LBPRGKRZSA-N 309.366 -0.875 30 20 DBED Cn1ccc(C(=O)N2CCOC[C@H]2CNC(=O)C#CC2CC2)n1 1061571643 FAIQIWOCWHGIAO-CYBMUJFWSA-N 316.361 -0.209 30 20 DBED CN1CC[C@@H](C(=O)N2CCOC[C@H]2CNC(=O)C#CC2CC2)C1 1061572441 VSRQCRKYALOVNZ-HUUCEWRRSA-N 319.405 -0.305 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H]1CCCCN1C(=O)[C@@H](C)OC 1062040482 NGTKFPSKYRSNGB-CHWSQXEVSA-N 323.393 -0.342 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)C[C@@H]2CCNC2=O)CCC1 1064305580 UWHYMGXWSMMTDZ-MNOVXSKESA-N 306.366 -0.173 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(C(=O)c2cnccn2)CCO1 1064790199 PYSIOTGYSSCMFJ-CYBMUJFWSA-N 314.345 -0.153 30 20 DBED CC(C)C#CC(=O)N1CCO[C@H](CNC(=O)CCCC(N)=O)C1 1065126543 RBGXQSGRDBZQGP-CYBMUJFWSA-N 323.393 -0.355 30 20 DBED CC(C)C#CC(=O)N1CCO[C@H](CNC(=O)c2cnn(C)n2)C1 1065128471 DZGORDJERQVWGW-GFCCVEGCSA-N 319.365 -0.568 30 20 DBED NC(=O)C1(C(=O)NC[C@@H]2CN(C(=O)C#CC3CC3)CCO2)CC1 1065136884 IPDUTVAQNSIHGT-GFCCVEGCSA-N 319.361 -0.991 30 20 DBED CNC(=O)C1(C(=O)N2CCO[C@@H](CNC(=O)[C@H](C)C#N)C2)CC1 1065334501 GIRPHTOFYOSTPB-MNOVXSKESA-N 322.365 -0.984 30 20 DBED CCOCC(=O)N1CCN([C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)CC1 1065710607 ASMDXWZWKZEUBQ-UONOGXRCSA-N 322.409 -0.072 30 20 DBED C[C@@H]1CN(C(=O)Cn2nccn2)C[C@@H]1Nc1cnc(C#N)cn1 1067152425 AQLLBRMJTZQXBA-PWSUYJOCSA-N 312.337 -0.101 30 20 DBED COC[C@H](C)C(=O)N1CCOC2(C1)CN(C(=O)[C@H](C)C#N)C2 1068351357 PMQLJOBWAKTSEF-NEPJUHHUSA-N 309.366 -0.132 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CCCN(C(=O)CCn2ccnn2)C1 1070660583 AQPDPOKOAMKGCT-VXGBXAGGSA-N 304.354 -0.065 30 20 DBED C=CCCN1CCNC(=O)CCN(C(=O)C(C)(C)C(N)=O)CC1 1070970362 AUVDJWZVFZCANR-UHFFFAOYSA-N 324.425 -0.276 30 20 DBED C[C@H]1CN(C(=O)C#CC2CC2)C[C@@]2(CCN(CC(N)=O)C2)O1 1071166896 PMFCVGRHQZEONX-LRDDRELGSA-N 305.378 -0.423 30 20 DBED C#CCN1CC[C@]2(C1)CN(C(=O)CCn1cnnn1)C[C@H](C)O2 1071223765 UANJGPPCDSZNDK-ZFWWWQNUSA-N 318.381 -0.612 30 20 DBED C=CCCC(=O)N[C@@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@H]1C 1072498933 QBHJLPUPSOBTIM-CHWSQXEVSA-N 322.409 -0.653 30 20 DBED COCC(=O)NCC1(O)CCN(C(=O)c2c[nH]c(C#N)c2)CC1 1074555239 RUXYYWFHRGZJCP-UHFFFAOYSA-N 320.349 -0.384 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)CC1(O)CCC1 1076219010 PPDXGJMGMCIQIP-LBPRGKRZSA-N 323.393 -0.558 30 20 DBED C=C[C@](C)(O)CC(=O)NCC[C@H](C)NC(=O)CCn1cnnn1 1076305364 XXRKZMXTSYRXPW-FZMZJTMJSA-N 324.385 -0.599 30 20 DBED C#CCN1C[C@@H]2CCN(C(=O)[C@H]3CCCS(=O)(=O)C3)[C@@H]2C1 1076311934 IQJNTWTWDIBKHW-MELADBBJSA-N 310.419 -0.023 30 20 DBED C=C1CCC(C(=O)N[C@@H]2CN([C@H]3CCNC3=O)C[C@H]2O)CC1 1077621580 PXBNZBHZWXRJFH-HZSPNIEDSA-N 307.394 -0.217 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 1077688360 IXFACUGXTFOYRO-WRWGMCAJSA-N 315.801 -0.198 30 20 DBED C#CCN[C@@H]1C[C@H](NC(=O)C2CC(=O)NC(=O)C2)C12CCC2 1078748724 DNDYFXMSWUPQTB-NEPJUHHUSA-N 303.362 -0.311 30 20 DBED CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)[C@@H](C)NC(=O)COC)C1 1080420581 XFXVXZHVDUPKEL-GHMZBOCLSA-N 324.381 -0.644 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)COCCC)C[C@H]1O 1081344876 WEGIQTTWXSTKLE-CHWSQXEVSA-N 314.382 -0.449 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)c2cn(C)cn2)C[C@H]1O 1081463031 IYFLVCDBEGFBLE-GXTWGEPZSA-N 318.377 -0.371 30 20 DBED CC(C)OCC(=O)N1C[C@H](O)[C@H](CNC(=O)C#CC2CC2)C1 1081472383 XUPMTVMSRLANQD-KGLIPLIRSA-N 308.378 -0.240 30 20 DBED CNC(=O)CC(=O)N1C[C@H](O)[C@H](CNC(=O)C#CC(C)(C)C)C1 1081472974 BFURIXMIHZTBPQ-NEPJUHHUSA-N 323.393 -0.893 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H]1CCCCN1C(=O)CNC(C)=O 1081843681 HRIXPQBZRDDHMA-JSGCOSHPSA-N 323.393 -0.342 30 20 DBED CNC(=O)NCCC(=O)N1CCCC[C@H]1CNC(=O)[C@H](C)C#N 1082053260 FBYXYZOYNZGQGA-NEPJUHHUSA-N 323.397 -0.038 30 20 DBED CC#CCN1C[C@@H](NC(=O)[C@H]2CCc3nn[nH]c3C2)[C@H](OC)C1 1082324133 CXLQUJYEIUFVAJ-NILFDRSVSA-N 317.393 -0.252 30 20 DBED CN1C(=O)CCC[C@H]1C(=O)N1CCO[C@@H]2CN(CC#N)C[C@@H]21 1083261505 XXOUDYWNFFRUJZ-RWMBFGLXSA-N 306.366 -0.568 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)c2[nH]c(C)c(C(N)=O)c2CC)C1 1083521821 IYEWEHCNMIRGSO-NEPJUHHUSA-N 320.393 -0.055 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@H]2CCN(CC(N)=O)[C@H]2C1 1084961085 JSWIOEUYSHFFRG-ILXRZTDVSA-N 318.421 -0.508 30 20 DBED C#CCCN1CC[C@H]1CN(C)C(=O)[C@@H]1Cc2cncn2C(=O)N1 1085737159 GOLVKCRFYZCIIJ-JSGCOSHPSA-N 315.377 -0.079 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2cnn3c2OCCC3)[C@H](O)C1 1090398119 VRAYKRUQNSNHNY-UONOGXRCSA-N 318.377 -0.146 30 20 DBED Cc1ccc(C#N)c(N2C[C@@H](O)[C@H](NC(=O)[C@H](O)C(C)C)C2)n1 1090408518 TYPGPFFJOSTYJV-MGPQQGTHSA-N 318.377 -0.056 30 20 DBED CC(C)(O)CC(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1O 1090413052 IXQZDBHMKCJRDC-VXGBXAGGSA-N 304.350 -0.220 30 20 DBED CC(=O)NCC(=O)NC[C@H]1C[C@H](Nc2nccnc2C#N)C1 1091416703 MVEUIVOZCSNHSL-XYPYZODXSA-N 302.338 -0.209 30 20 DBED C#CCN1C[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@]2(C)C1 1092008135 XLWXXSVIPVFILK-IATRGZMQSA-N 305.378 -0.567 30 20 DBED Cc1cc(=NC2CC(CNC(=O)CC(N)=O)C2)c(C#N)c[nH]1 1092204690 SYQYHUUXKNJFRI-UHFFFAOYSA-N 301.350 -0.134 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1CNC(=O)[C@H]1CCN(C)S1(=O)=O 1093044760 PVTXUHSBFQRGOP-IJLUTSLNSA-N 314.411 -0.772 30 20 DBED CN1C(=O)CC[C@H]1CC(=O)NCCNc1ccc(C#N)nn1 1094055732 LNCHSZWKKXGUKO-NSHDSACASA-N 302.338 -0.113 30 20 DBED N#Cc1cnc(NCCCNC(=O)[C@H]2CCCS2(=O)=O)cn1 1094445661 MHEHUEKRFSIVCX-LLVKDONJSA-N 323.378 -0.156 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)c3ccn(C)c3)CC2=O)C1 1094727366 KYZMKPWILJPFHR-CYBMUJFWSA-N 300.362 -0.327 30 20 DBED N#CCN1CC(N2C[C@@H](NC(=O)c3ccc(C#N)[nH]3)CC2=O)C1 1094727899 QZIRGQABZIYTTE-NSHDSACASA-N 312.333 -0.575 30 20 DBED CN(CCCNC(=O)c1cnn(C)n1)c1nccnc1C#N 1095587724 BUGPALRMEZUTRA-UHFFFAOYSA-N 300.326 -0.267 30 20 DBED N#Cc1cncc(N2CC[C@@H](NC(=O)CNC(=O)C3CC3)C2)n1 1096320825 KJFHWGXOKLOLOU-LLVKDONJSA-N 314.349 -0.431 30 20 DBED CS(=O)(=O)CC(=O)N[C@H]1CCN(c2ccc(C#N)cn2)C1 1096341946 AAOZNHCSDBTPBF-NSHDSACASA-N 308.363 -0.307 30 20 DBED C[C@H](NC(N)=O)C(=O)N[C@@H]1CCN(c2ncc(C#N)cc2F)C1 1096356173 RDEAIQZJHVQXQX-WCBMZHEXSA-N 320.328 -0.156 30 20 DBED N#Cc1cncc(N[C@@H](CNC(=O)[C@H]2CNC(=O)N2)C2CC2)n1 1096800625 LHDUKUBCNAVEKB-WDEREUQCSA-N 315.337 -0.664 30 20 DBED N#Cc1ccc(N[C@H]2CCN(C(=O)CNC(=O)C3CC3)C2)nn1 1096917156 GZAMOQGHMPRLNV-LBPRGKRZSA-N 314.349 -0.113 30 20 DBED CNC(=O)NCC(=O)N1CC[C@H](Nc2cncc(C#N)n2)C1 1096980054 QTWLBPVNNAQEFU-VIFPVBQESA-N 303.326 -0.710 30 20 DBED CC[C@@]1(C(=O)N2CCC(N(CC#N)CCO)CC2)CCNC1=O 1098397916 DHLWVLVJFMQDQV-MRXNPFEDSA-N 322.409 -0.288 30 20 DBED C[C@H](CNC(=O)CN1CCCCC1=O)N=c1cc[nH]c(C#N)n1 1098399618 FMOHWOPOWPQRJS-LLVKDONJSA-N 316.365 -0.301 30 20 DBED C[C@@H](CNC(=O)c1cn(C)c(=O)cn1)Nc1nccnc1C#N 1098429888 VNFVCSXFOIDNTQ-VIFPVBQESA-N 313.321 -0.328 30 20 DBED N#CCNCc1cn([C@@H]2CCN(C(=O)Cn3ccnc3)C2)nn1 1098790329 SKCQUKGMPNDLIE-CYBMUJFWSA-N 314.353 -0.439 30 20 DBED C[C@H](CCNC(=O)[C@H]1COCCN1C)N=c1cc[nH]c(C#N)n1 1099022683 WZVSBCHVVSIEHX-VXGBXAGGSA-N 318.381 -0.593 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)CCC(C)C)[C@@H](O)C1 1099662837 DZVJBONCTCIYDV-KBPBESRZSA-N 309.410 -0.277 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)CNC(=O)OC)[C@@H](O)C1 1099704778 QOXYJLIZRSTPNQ-NEPJUHHUSA-N 315.370 -0.904 30 20 DBED CCNC(=O)CN1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H](O)C1 1099757215 AVASLNMPJSOBCJ-YPMHNXCESA-N 319.365 -0.813 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2ccnc(O)c2)[C@H](O)C1 1099765712 AKQNYYSCBBEUNW-UONOGXRCSA-N 319.361 -0.398 30 20 DBED N#CCNC(=O)CN1CC[C@@H](NC(=O)C2=CCCC2)[C@@H](O)C1 1099780719 LXQVJBJODARDEV-OLZOCXBDSA-N 306.366 -0.712 30 20 DBED C=C(C)CCC(=O)N[C@H]1CCN(CC(=O)NC(N)=O)C[C@@H]1O 1099855770 MWSOCWQKAYMEBZ-QWRGUYRKSA-N 312.370 -0.911 30 20 DBED C#CCC1(C(=O)N[C@H]2CCN(CCCO)C[C@@H]2O)CCOCC1 1099874789 QVXRHAYGOVVSAA-GJZGRUSLSA-N 324.421 -0.260 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)c2cncnc2O)[C@H](O)C1 1099887820 LEHIXTXIKIDEPR-QWHCGFSZSA-N 322.365 -0.450 30 20 DBED C#CCNC1CC(CNC(=O)[C@H](C)NS(=O)(=O)CC)C1 1100350977 GNXMLPZPCOHERI-UNXYVOJBSA-N 301.412 -0.568 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)[C@@H]2CCOC2)C1 1101788400 FCQVPTAFMGRLNZ-MGPQQGTHSA-N 307.394 -0.544 30 20 DBED C#CCN1C[C@@H](C)[C@H](CNC(=O)CCNC(=O)[C@H]2CCCO2)C1 1102616287 RQSXGZAXWZWFRP-RBSFLKMASA-N 321.421 -0.011 30 20 DBED CCOCC(=O)NC[C@H]1CN(c2ccnc(C#N)n2)CCO1 1104280307 HDEMLDVCHHTIRQ-NSHDSACASA-N 305.338 -0.294 30 20 DBED COC[C@H](C)C(=O)NC[C@H]1CN(c2cncc(C#N)n2)CCO1 1104310099 OGAKXZNXQTYJOQ-AAEUAGOBSA-N 319.365 -0.048 30 20 DBED C#CCNC(=O)CC(=O)N(C)[C@H](C)CNc1cncc(C#N)n1 1104531902 ZNBFQJRJXQFYQI-LLVKDONJSA-N 314.349 -0.253 30 20 DBED CC(C)[C@H](CNC(=O)Cn1ncnn1)Nc1nccnc1C#N 1105234689 HNZHGIKFNGYPOW-NSHDSACASA-N 315.341 -0.412 30 20 DBED Cn1nccc1CC(=O)NC[C@@H](O)CNc1cnc(C#N)cn1 1105805743 IBGBKUNAPRCJFT-LBPRGKRZSA-N 315.337 -0.787 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](O)CNC(=O)c2cnon2)n1 1105927579 BBICHGUMQCEPQG-VIFPVBQESA-N 303.282 -0.758 30 20 DBED N#Cc1cncc(NC[C@H](O)CNC(=O)Cc2ncc[nH]2)n1 1105936981 AAELOXWZIBIERF-JTQLQIEISA-N 301.310 -0.797 30 20 DBED C[C@H](CC(=O)NC[C@H](O)CNc1ncccc1C#N)NC(N)=O 1105972467 KOEQPEYSEBCHLP-KOLCDFICSA-N 320.353 -0.711 30 20 DBED C=CCOCCNC[C@@H]1CN(C(=O)[C@@H]2COC(=O)N2)C[C@H]1C 1106075865 NGJXMLKDMILCFW-UPJWGTAASA-N 311.382 -0.019 30 20 DBED CN1CCCC[C@@H]1C(=O)NC[C@H](O)CNc1ccc(C#N)nn1 1106165572 RSXJQRAGFUXJHS-CHWSQXEVSA-N 318.381 -0.278 30 20 DBED N#Cc1cnc(NC[C@H](O)CNC(=O)c2cnn[nH]2)c(F)c1 1106171999 OTSWPUFAVQOSAJ-QMMMGPOBSA-N 305.273 -0.587 30 20 DBED COCCOCC(=O)N[C@@H](C)CCN=c1cc[nH]c(C#N)n1 1106271915 RATFOCHLMYUGAG-NSHDSACASA-N 307.354 -0.260 30 20 DBED CCN(CCNc1ccc(C#N)nn1)C(=O)CCNC(=O)NC 1106749270 PCWOHPMAOCAAGK-UHFFFAOYSA-N 319.369 -0.072 30 20 DBED C#CCOCCC(=O)NCc1cn(C2CN(CCF)C2)nn1 1107171406 XCANMZDRKSODLR-UHFFFAOYSA-N 309.345 -0.240 30 20 DBED C#CCCN1CC(n2cc(CNC(=O)[C@@H](C)CC(N)=O)nn2)C1 1107190881 GGNUJWLRUKOZFI-NSHDSACASA-N 318.381 -0.714 30 20 DBED C[C@]1(C(=O)NC/C=C\CN=c2cc[nH]cc2C#N)CNC(=O)C1 1107421861 LPEAWACPLYPCLS-RXYHWBRQSA-N 313.361 -0.014 30 20 DBED CN(C)C(=O)CC(=O)NC/C=C\CNc1nccnc1C#N 1107535321 FCZFGIHXIGTGFE-ARJAWSKDSA-N 302.338 -0.089 30 20 DBED C[C@H](CNc1ccc(C#N)nn1)NC(=O)[C@H]1CCNC(=O)C1 1107686595 HAXRZHCYEHBDGS-ZJUUUORDSA-N 302.338 -0.209 30 20 DBED CC#CCN1CCO[C@](C)(CNC(=O)C2CS(=O)(=O)C2)C1 1107969467 OJMOMNUTXUKQEJ-CQSZACIVSA-N 314.407 -0.739 30 20 DBED CC#CCN1CCO[C@](C)(CNC(=O)[C@@H](C)S(C)(=O)=O)C1 1108026655 AZGICMWLTUJONM-TZMCWYRMSA-N 316.423 -0.350 30 20 DBED CC[C@H](C)C(=O)NCC(=O)NC[C@@]1(C)CN(CC#N)CCO1 1108405218 WGDMWVZMRLYLMM-WFASDCNBSA-N 310.398 -0.121 30 20 DBED CN(C)[C@H](C(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1)C1CC1 1108552480 MJSFBLYSPDCWDX-WFASDCNBSA-N 319.409 -0.749 30 20 DBED C=CC(C)(C)C(=O)N[C@H]1CC(=O)N(C2CN(CC(N)=O)C2)C1 1108561234 VFNMINMLIBORSZ-JTQLQIEISA-N 308.382 -0.915 30 20 DBED C[C@H](CN(C)c1nccnc1C#N)NC(=O)c1c[nH]c(=O)cn1 1109230603 FWVUJQKJVWSHDI-SECBINFHSA-N 313.321 -0.314 30 20 DBED C[C@@H](CN(C)c1cnc(C#N)cn1)NC(=O)c1c[nH]c(=O)cn1 1109230668 GYMIWBCMGYTBHZ-VIFPVBQESA-N 313.321 -0.314 30 20 DBED Cc1ccc(C#N)c(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)CNC(N)=O)n1 1109679997 RWEVITZXRQODPP-NTZNESFSSA-N 314.349 -0.377 30 20 DBED N#Cc1nccc(NC2(CNC(=O)[C@H]3CCC(=O)NC3)CC2)n1 1110402630 WOAFZMWSNUHVTH-JTQLQIEISA-N 314.349 -0.065 30 20 DBED N#Cc1cnc(N2CC[C@](O)(CNC(=O)c3cnon3)C2)cn1 1111091135 KIPVWOMDWRZFLA-ZDUSSCGKSA-N 315.293 -0.898 30 20 DBED Cc1nsc(N2CCOC[C@@H]2CNC(=O)CC(N)=O)c1C#N 1111679455 LXQCHKCTCGJIHE-VIFPVBQESA-N 323.378 -0.480 30 20 DBED CC(C)C#CC(=O)N[C@]12CCC[C@H]1CN(CC(=O)NC(N)=O)C2 1111736813 WZVMRVMMLUHWDD-LRDDRELGSA-N 320.393 -0.189 30 20 DBED CCOCC(=O)NC[C@@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1112693295 ZTARJJLGUMQBCZ-PWSUYJOCSA-N 305.338 -0.702 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)C[C@@H]2CCNC2=O)CC1 1112961015 UJCLWFLUTMPBBL-STQMWFEESA-N 322.409 -0.653 30 20 DBED C=CCOCCN1CCN(C(=O)[C@H]2CCS(=O)(=O)C2)CC1 1113080786 PROPUCDEEVMGBI-ZDUSSCGKSA-N 316.423 -0.232 30 20 DBED C=CCN1CCN(C(=O)[C@H](Cc2cnc[nH]2)NC(C)=O)CC1 1113287778 YMIPQXQTRATLMV-AWEZNQCLSA-N 305.382 -0.213 30 20 DBED CC[C@@H](C(=O)N1CCN(CC(=O)NCC#N)CC1)N(CC)CC 1113336632 GACLNNOQOUTKDF-AWEZNQCLSA-N 323.441 -0.109 30 20 DBED COCC#CCN1CCN(C(=O)COC2CCN(C)CC2)CC1 1113463078 ZQAHTGYOXFIPLT-UHFFFAOYSA-N 323.437 -0.109 30 20 DBED C[C@@H](CNC(=O)CCNC(N)=O)N(C)c1cncc(C#N)n1 1113609913 YDOTWUCODPOTHR-VIFPVBQESA-N 305.342 -0.652 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)CCCCOC)[C@H]2C1 1114014041 HHPSWKRZHIMPLV-NYTXWWLZSA-N 321.421 -0.013 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC(F)(F)F)C[C@@H]21 1114063293 ANOKCYDPLBNACL-WYOJIJJFSA-N 318.299 -0.129 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)C[C@](C)(O)C=C)[C@@H]2C1 1114193898 ISWFKHJAUHYGCK-XHBSWPGZSA-N 305.378 -0.891 30 20 DBED N#CCNC(=O)CN1C[C@H]2C(NC(=O)C3(F)CCCC3)[C@@H]2C1 1114502374 SYQDIOBGUJGONY-GHMZBOCLSA-N 308.357 -0.045 30 20 DBED C#CCCN1C[C@H]2C(NC(=O)COCc3nncn3C)[C@@H]2C1 1115056123 UMBFMCVHBUXIEV-VXGBXAGGSA-N 303.366 -0.599 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)CCN(C)CCC)[C@@H]2C1 1115152045 QRGNXBYIILRUFR-ZIAGYGMSSA-N 320.437 -0.486 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)Cc3[nH]cnc3C)[C@@H]2C1 1115170143 MJXMEUQFSYVJCN-CHWSQXEVSA-N 302.378 -0.043 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)NC1CCN(CCOC)CC1 1117116978 VMAOXRBXIMSGEA-UHFFFAOYSA-N 319.405 -0.302 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)NC[C@@]1(OC)CCOC1 1118711550 RXJCXKFWUHMFAP-HNNXBMFYSA-N 312.366 -0.594 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N1CCC[C@@]12CCOC2=O 1119198149 BOTMYSGHYDZOMQ-WBMJQRKESA-N 322.361 -0.161 30 20 DBED C#CCOCCn1nnnc1N1CCC(Cn2cncn2)CC1 1120252890 SGMQUSFPOGVWPD-UHFFFAOYSA-N 316.369 -0.169 30 20 DBED Cc1ncncc1C(=O)NC[C@@H](CO)Nc1cnc(C#N)cn1 1121086477 VOPDYVMHDUSLDK-NSHDSACASA-N 313.321 -0.351 30 20 DBED CC(=O)NCC(=O)NC[C@H](CO)Nc1ncc(C#N)cc1F 1121129885 XZWNBAPSRRCJCF-SNVBAGLBSA-N 309.301 -0.883 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](CO)Nc1ncnc2c1CN(C)CC2 1121205744 SNDQQTGCANGSHE-MNOVXSKESA-N 318.381 -0.487 30 20 DBED N#Cc1cncc(N[C@H](CO)CNC(=O)Cc2cc[nH]n2)n1 1121398897 KMORKUHZLDNYNS-NSHDSACASA-N 301.310 -0.797 30 20 DBED Cc1ccc(C#N)c(N[C@@H](CO)CNC(=O)c2cnn(C)n2)n1 1121771904 ZFDKFUFAHGCEMT-LLVKDONJSA-N 315.337 -0.407 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@H](CO)Nc1ncccn1 1122037146 UMACYBWJYCEWEC-CHWSQXEVSA-N 321.381 -0.164 30 20 DBED CNC(=O)CC(=O)N1C[C@H](N=c2cc[nH]c(C#N)n2)C[C@H]1C 1123202123 HYVHFOJYYAPZFW-NXEZZACHSA-N 302.338 -0.692 30 20 DBED CCC(=O)NCC(=O)N(C)C[C@H](O)CNc1ccc(C#N)nc1 1124185868 UEEWLJZBHAWTIG-CYBMUJFWSA-N 319.365 -0.289 30 20 DBED CN(C[C@@H](O)CN(C)c1ccnc(C#N)n1)C(=O)[C@H]1CCCO1 1124940603 WODDPCYDUNKMMC-NWDGAFQWSA-N 319.365 -0.217 30 20 DBED C[C@H](Oc1ccccc1F)C(=O)NCCNCC(=O)NCC#N 1127992015 ARPGFEVLBLZRKJ-NSHDSACASA-N 322.340 -0.061 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)c1nc(C)c(C)nc1O 1130126936 NHPBVTFNTIOCQX-NSHDSACASA-N 321.381 -0.191 30 20 DBED COCC#CCNCCNC(=O)CCS(=O)(=O)CC(C)C 1130336038 ZFCKBPFSBRVBAR-UHFFFAOYSA-N 318.439 -0.197 30 20 DBED C#CCCN1C[C@H]2C[C@@H]3CN(C(=O)[C@@H](C)CC(N)=O)C[C@@]3(C1)O2 1131252522 TZTGXMQOPNDYBO-ZOMKSWQUSA-N 319.405 -0.177 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)CC[C@H]1C 1132934003 WPWYRESKFKGPDF-ZIAGYGMSSA-N 319.409 -0.321 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)C[C@@H](C)n1ccnc1 1134517899 WFTGYHGLGDGRMC-CHWSQXEVSA-N 305.382 -0.322 30 20 DBED C[C@@H](C[C@@H](C)NCC#N)NC(=O)c1ccc(S(N)(=O)=O)o1 1134857832 KJEBJMSLFGDRAA-BDAKNGLRSA-N 314.367 -0.063 30 20 DBED C=CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)c1cnc(O)n1C 1135188400 KNCDZCLUCLDJAZ-GHMZBOCLSA-N 323.397 -0.086 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)c2coc(COC)n2)C1=O 1136033457 JXHGCZYBESNFJX-NSHDSACASA-N 322.365 -0.073 30 20 DBED CC#CCN1CCCO[C@H](CNC(=O)[C@H](C)N2CCOCC2)C1 1150842301 RYYKYAZKQGSUKB-JKSUJKDBSA-N 323.437 -0.063 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)NCCNC[C@H](C)OC 1152398503 ATFIADICKAJWDW-NSHDSACASA-N 300.403 -0.009 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H](C)N(CC)Cc1nnn(C)n1 1153327622 QAQUIKBBLJXYFY-VXGBXAGGSA-N 308.386 -0.425 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)[C@@H](C)c1cnn(C)c1 1154014165 VGUHRSBSXQMTHX-RYUDHWBXSA-N 307.398 -0.080 30 20 DBED C=CCN(CC)[C@H](C)CNC(=O)CNC(=O)Cn1cncn1 1157086120 CSPYEZJYFSHEIY-GFCCVEGCSA-N 308.386 -0.593 30 20 DBED C=CCNC(=O)NC(=O)CNCCCNC(=O)CC(C)(C)O 1157273413 CHLWUUJIDGGKPQ-UHFFFAOYSA-N 314.386 -0.745 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@@H]1CC(=O)N(C(C)C)C1 1159229657 DOQYSSJKQQPSJV-CYBMUJFWSA-N 322.409 -0.911 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@H]1CC[C@@H]2CCCCN21 1160867940 IZYXYKMZYNNOLR-LSDHHAIUSA-N 320.437 -0.151 30 20 DBED C#CCN1CC=C(CCNC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 1161343555 JFKABVPPXDWAAZ-LBPRGKRZSA-N 304.350 -0.644 30 20 DBED CC#CCN1CC=C(CCNC(=O)CN2CC(=O)NC2=O)CC1 1161492128 RXYLDJLQJXYHAK-UHFFFAOYSA-N 318.377 -0.300 30 20 DBED C=CCC[C@H](C)NCCCNC(=O)CNS(=O)(=O)N(C)C 1167421687 BHKKJEPJLNFLNJ-LBPRGKRZSA-N 320.459 -0.167 30 20 DBED C=CCCOCC(=O)NCCCNCCNS(=O)(=O)CC 1177260783 VTTBRMOTQBUSKJ-UHFFFAOYSA-N 321.443 -0.386 30 20 DBED Cn1ncc(C(=O)NCCCCCCNCC(=O)NCC#N)n1 1179816283 JBIDYFPLPKBLEY-UHFFFAOYSA-N 321.385 -0.665 30 20 DBED C[C@@H](C(=O)NC(N)=O)N(C)[C@H]1CCN(C(=O)C#CC2CC2)C1 1190076782 VQABOZIOBJZCHO-JQWIXIFHSA-N 306.366 -0.484 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC[C@H]2CN(CC(=O)NC(N)=O)C[C@H]21 1190449823 GYOUKQAWYWZCRF-SDDRHHMPSA-N 324.381 -0.695 30 20 DBED N#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2ccc(F)cc2)C1 1190659322 QKIKHSCPDIDXKV-CHWSQXEVSA-N 320.324 -0.760 30 20 DBED CN(CC(=O)NCC#N)[C@@H]1CCN(C(=O)Cc2cncs2)C1 1190799473 BGNCRHGOOVHHPS-LLVKDONJSA-N 321.406 -0.142 30 20 DBED Cc1cc(CN2C[C@@H](O)[C@H](NC(=O)CSCC#N)C2)ncn1 1191161706 GNFSRGYBSSEEIM-CHWSQXEVSA-N 321.406 -0.297 30 20 DBED C#CCCN(C)[C@H]1CCN(C(=O)Cn2ccc(O)nc2=O)C1 1191187794 GDAFHHGJOTUDIS-LBPRGKRZSA-N 304.350 -0.495 30 20 DBED CN1CCC[C@@H](N2C[C@@H](O)[C@H](NC(=O)C#CC(C)(C)C)C2)C1=O 1192870664 FYBDUWHKMUSJMF-MGPQQGTHSA-N 321.421 -0.182 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2cnsn2)C[C@H]1O 1192892644 ZXRYRMZPLRXGIO-YUSALJHKSA-N 310.379 -0.762 30 20 DBED C=CCC(CC=C)C(=O)N[C@@H]1CN(Cc2nnnn2C)C[C@H]1O 1193232285 WNYXVAVTXCCIFQ-CHWSQXEVSA-N 320.397 -0.360 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)C2(N(C)C)CCC2)C1 1193765972 LXOZJIVVTGEJRN-ZIAGYGMSSA-N 311.426 -0.165 30 20 DBED CC#CCN(C)[C@@H]1CCN(C(=O)c2cn(C)c(=O)nc2O)C1 1193991929 GFSDLVBCLHBQKO-LLVKDONJSA-N 304.350 -0.345 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)CCc2ccc(OC)nc2)C1 1194632095 QCPMILYMLYYITN-ZIAGYGMSSA-N 303.362 -0.183 30 20 DBED C[C@@H]1CN(C)C[C@@H]1C(=O)N1CCCN(CC(=O)NCC#N)CC1 1197158506 RADCILJXUBBALC-KGLIPLIRSA-N 321.425 -0.642 30 20 DBED Cc1cccc(C(=O)NCC(=O)N[C@@H]2CN(CC#N)C[C@H]2O)c1 1198359267 JBCCDKPCOWJHFK-ZIAGYGMSSA-N 316.361 -0.590 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(CCn2cccn2)C[C@H]1O 1199307883 KTNQUWUGFVQBEO-ZIAGYGMSSA-N 308.382 -0.363 30 20 DBED Cc1cc(CC(=O)N2CCC(NCC(=O)NCC#N)CC2)n[nH]1 1200036369 DLRJZHWKLTZGNT-UHFFFAOYSA-N 318.381 -0.519 30 20 DBED C#CCNC[C@@H]1CN(C(=O)C[C@@H]2CCC(=O)N2C)CCCO1 1201130007 URBSRHIJUDGYBV-UONOGXRCSA-N 307.394 -0.162 30 20 DBED CCN1CCOC[C@H]1C(=O)N1CCC(NCC#CCOC)CC1 1201378965 SQNNMYSQOJVVJF-INIZCTEOSA-N 323.437 -0.063 30 20 DBED C#CCCNC1CCN(C(=O)c2nccnc2C(N)=O)CC1 1203632279 IDPSTCWXRBRWOG-UHFFFAOYSA-N 301.350 -0.207 30 20 DBED C#CCNCC1CCN(C(=O)[C@@H]2Cc3cncn3C(=O)N2)CC1 1205746678 MHTGDHGBCBKCMW-AWEZNQCLSA-N 315.377 -0.173 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)CNC(=O)C2CC2)[C@H](C)C1 1206205234 PZZXAGICQZGKNG-DGCLKSJQSA-N 322.409 -0.749 30 20 DBED CCOC1CC(C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@H]2C)C1 1206931308 DRGYFWVSCILTIS-BLYZHGLHSA-N 322.409 -0.122 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)Cc1ccn(C)n1 1206943672 AOQFEJHXZGYSTN-DGCLKSJQSA-N 318.381 -0.961 30 20 DBED C#CCNCC1CCN(C(=O)CCS(=O)(=O)N(C)C)CC1 1206946970 ZUYQFGDLCIVHSR-UHFFFAOYSA-N 315.439 -0.271 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)c2cnns2)C1 1207506228 GWKXOUDYRBVHSM-GHMZBOCLSA-N 321.406 -0.130 30 20 DBED COCC#CCN1C[C@@H](NC(=O)[C@]2(C)CCC(=O)NC2)[C@H](C)C1 1208388447 MNUISWQEVQAJLQ-CKEIUWERSA-N 321.421 -0.011 30 20 DBED COCC#CCN[C@H]1CCCN(C(=O)[C@@H]2CCN(C)C2=O)C1 1209119541 AMRRLSHPGRIHSR-UONOGXRCSA-N 307.394 -0.305 30 20 DBED C=CCOCCN[C@H]1CCCN(C(=O)C2CC(=O)NC(=O)C2)C1 1210117155 RQWDYYXUMPPWQX-ZDUSSCGKSA-N 323.393 -0.178 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@H]1CCCN(C(=O)Cc2nc[nH]n2)C1 1210584113 CKLGXTOGSPSYCE-NEPJUHHUSA-N 320.397 -0.382 30 20 DBED C=CCCC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[nH]2)C[C@H]1OC 1211997562 ZHBOLLWYCKXTMZ-GHMZBOCLSA-N 309.370 -0.610 30 20 DBED CO[C@@H]1CN(CC(=O)N(C)C2CC2)C[C@H]1NC(=O)C#CC1CC1 1212244305 NTKQYBBLBUQFBW-HUUCEWRRSA-N 319.405 -0.164 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)[C@H](C)OCC=C)[C@H](OC)C1 1213961785 QYHJWYVJTDWCOZ-BFHYXJOUSA-N 323.393 -0.858 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)Cc2cc[nH]n2)C[C@H]1C 1214382251 KHEIXBRMVUPRQN-MBNYWOFBSA-N 317.393 -0.473 30 20 DBED C=CCCN[C@@H]1CN(C(=O)CN2C(=O)C(=O)N(C)C2=O)C[C@H]1C 1215764006 QFTVUHMDRJZQBX-GHMZBOCLSA-N 322.365 -0.580 30 20 DBED C=CCCN[C@@H]1CN(C(=O)CN2CC(=O)N(C)C2=O)C[C@H]1C 1216369921 DXMKLPILFGNKJT-VXGBXAGGSA-N 308.382 -0.107 30 20 DBED N#CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)C1CCCC1 1217171992 GFYFNUKUPULPTB-UONOGXRCSA-N 320.393 -0.272 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)c2cncc(C)c2)C1 1219409547 KHDIAUMNOHXZPS-CABCVRRESA-N 303.362 -0.185 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(Cc2cn(C)nc2C)C[C@@H]1O 1219527388 NXEKUSRRDVWVAL-YCPHGPKFSA-N 322.409 -0.283 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(Cc2ccnn2C)C[C@@H]1O 1219527560 UQKADRMIPFUUBM-VNHYZAJKSA-N 308.382 -0.592 30 20 DBED CCn1ncc(CN2C[C@H](O)[C@H](NC(=O)C#CC3CC3)C2)n1 1219591678 PUULGRYUOFWMLG-KGLIPLIRSA-N 303.366 -0.627 30 20 DBED N#CCNC(=O)CN1CCC(NC(=O)[C@@H]2C[C@H]3CC[C@H]2O3)CC1 1226681157 GVWDEMKOWRBCNZ-MGPQQGTHSA-N 320.393 -0.226 30 20 DBED C=CCN1CCS(=O)(=O)[C@@H](CCNC(=O)CCN(C)C)C1 1230495199 YGEGHOPVRKAIBF-ZDUSSCGKSA-N 317.455 -0.271 30 20 DBED CN(C[C@@H]1CCN1[C@H]1CCC(=O)NC1=O)C(=O)C#CC1CC1 1234179957 YUSOEHXEMPYAHZ-STQMWFEESA-N 303.362 -0.262 30 20 DBED C#CCCN1CC[C@H]1CN(C)C(=O)CN1CCCS1(=O)=O 1235050599 FKZUPAYXDPPQIX-ZDUSSCGKSA-N 313.423 -0.422 30 20 DBED CS(=O)(=O)NC[C@@H]1CCCN(CC(=O)NCCC#N)C1 1253402929 ABMIGVUHPYSEGT-NSHDSACASA-N 302.400 -0.723 30 20 DBED CNC(=O)[C@H]1CCCN(C(=O)C(=O)Nc2cnn(CC#N)c2)C1 1319444934 XOQAUQVQPPUKPD-JTQLQIEISA-N 318.337 -0.670 30 20 DBED CCC[C@H](O)CNC(=O)NCCN/C(O)=C1\N=CC=CC1=O 1322883546 WJYZYMRRQOLGBR-ZFEMDRMUSA-N 310.354 -0.027 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)NC[C@H]1CCCN(C(C)=O)C1 1322934074 HHBZXMXLUZQEIS-OAHLLOKOSA-N 317.389 -0.154 30 20 DBED C#CCSCCNC(=O)C(=O)N1CC[C@@H](OCCOC)C1 1323044498 CQPWYKGCSJWMCK-GFCCVEGCSA-N 314.407 -0.267 30 20 DBED C=CC[C@@H](CC)NC(=O)C(=O)N(C)CCNS(C)(=O)=O 1323102662 WDXRIDBQFPSAFN-SNVBAGLBSA-N 305.400 -0.535 30 20 DBED CC(C)(O)[C@H]1CCCN1C(=O)C(=O)N1CC[C@](O)(CC#N)C1 1326534177 UIWOITMWAXBEKG-IAQYHMDHSA-N 309.366 -0.375 30 20 DBED C=CCN(C(=O)C(=O)N1CC[C@](F)(CO)C1)[C@@H](C)COC 1328282126 NZQJKOXWLHURCO-SMDDNHRTSA-N 302.346 -0.031 30 20 DBED CN1CCN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)CCC1=O 1328494576 MJYPFNYHCBUGLO-CCEZHUSRSA-N 320.349 -0.406 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCC[C@H](C(=O)NCCC)C1 1329098806 KHKMGVNDTMQGAL-ZDUSSCGKSA-N 323.393 -0.483 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)NC[C@H]2CCCN2)CCN1C1CC1 1333613499 DOMWTULABGXDKU-YPMHNXCESA-N 305.382 -0.947 30 20 DBED C#CC[C@H](CCOC)NC(=O)[C@@]1(OC)CCS(=O)(=O)C1 1333661814 JPCWTNCIZDGFIL-DGCLKSJQSA-N 303.380 -0.265 30 20 DBED C=CCn1cc(Cn2nnnc2N(C)Cc2cnn(C)c2)nn1 1335124441 VRSIPKJGHXMDAT-UHFFFAOYSA-N 314.357 -0.131 30 20 DBED C#CCCCCNC(=O)C(=O)NCc1nc(O)cc(CN)n1 1347062031 BCGIGZMMYGQWRZ-UHFFFAOYSA-N 305.338 -0.823 30 20 DBED N#CCOc1ccc(CNC(=O)Cn2cnc(C(N)=O)n2)cc1 1362105623 AJYQUCJKFZUXIH-UHFFFAOYSA-N 314.305 -0.404 30 20 DBED CCN(C[C@H](C)C#N)C(=O)CN1CC[C@@H](CS(N)(=O)=O)C1 1363318073 ASJDIAUAPZOIPU-VXGBXAGGSA-N 316.427 -0.395 30 20 DBED CC[C@H](C#N)C(=O)N[C@H]1CCN(c2cc(=O)n(C)c(O)n2)C1 1363706108 FFXKGZOTINPIMM-ZJUUUORDSA-N 305.338 -0.269 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@@](C)(CO)C(=O)OC 1363937070 MCVZSELBHVIJSK-ONGXEEELSA-N 307.372 -0.774 30 20 DBED Cn1c(=O)[nH]c(N[C@@H]2C[C@@H]3CCCCN3C2=O)c(C#N)c1=O 1365227823 QVKNAFAVXGLHBM-WCBMZHEXSA-N 303.322 -0.489 30 20 DBED COCCN(CCNC(=O)c1[nH]nnc1C)C(=O)[C@@H](C)C#N 1371140288 GVBDXCJLKRVMOS-VIFPVBQESA-N 308.342 -0.522 30 20 DBED COCCn1cc(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H](C)C#N)C2)nn1 1372573936 YSPXJCSJESVCHP-DCAQKATOSA-N 320.353 -0.539 30 20 DBED Cn1cncc1CNC[C@H](O)CNC(=O)c1cc(C#N)c[nH]1 1379181163 MANBKZIDIFNPKV-LBPRGKRZSA-N 302.338 -0.500 30 20 DBED Cc1ncc(C(=O)N(C)C[C@@H](O)CNC(=O)[C@H](C)C#N)n1C 1384254233 LMNNNQMUNUOGSV-KOLCDFICSA-N 307.354 -0.563 30 20 DBED COCCN(CCNC(=O)[C@@H]1CCC(=O)N1C)C(=O)[C@@H](C)C#N 1384403808 KNWAVEFDOIFDQL-RYUDHWBXSA-N 324.381 -0.642 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CNC(=O)CCNC(N)=O)CC1 1385477818 XASUWOOFHOHWNL-JTQLQIEISA-N 309.370 -0.441 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCN(C)CC(=O)NC[C@H]1CCCO1 1392266438 SMDADTMFQBLUPN-QWHCGFSZSA-N 310.398 -0.169 30 20 DBED C[C@H](C#N)C(=O)N[C@H](CNC(=O)c1c[nH]c(=O)cn1)C1CC1 1407704880 UPDGDIYELXXVFX-PSASIEDQSA-N 303.322 -0.446 30 20 DBED CCCS(=O)(=O)CC(=O)N(C)CCNC(=O)[C@@H](C)C#N 1408673832 IWWPONFYYDOBTN-JTQLQIEISA-N 303.384 -0.455 30 20 DBED Cc1nc(O)nc(O)c1CC(=O)N1CCN(CCC#N)CC1 1412468052 JUQDHXYEZKJRFJ-UHFFFAOYSA-N 305.338 -0.203 30 20 DBED N#Cc1ncn(CCNC(=O)NCc2nnc3n2CCC3)n1 1414534017 RYWVHGQSPTVEQD-UHFFFAOYSA-N 301.314 -0.813 30 20 DBED COc1cncc(C(=O)N2CC[C@H](NC(=O)[C@H](C)C#N)C2)n1 1414932121 HAVJTMBPTDBTLL-ZJUUUORDSA-N 303.322 -0.024 30 20 DBED C=C(Br)CNC[C@H](O)CNC(=O)[C@H]1C[C@H]1C(N)=O 1422362512 QGKFKLVVJVUXFY-YIZRAAEISA-N 320.187 -0.917 30 20 DBED C=C(Cl)CN1CCOC[C@H]1CNC(=O)CCNC(N)=O 1424116525 ASFRGFVRCOWLGL-SNVBAGLBSA-N 304.778 -0.386 30 20 DBED COC(=O)N1CCC[C@H](Nc2[nH]c(=O)n(C)c(=O)c2C#N)C1 1434437750 ZUNNWTJIYHQGHP-QMMMGPOBSA-N 307.310 -0.412 30 20 DBED C=C(Cl)CNCC1(O)CCN(C(=O)Cn2cnnn2)CC1 1440628688 PFSIIYNUVXVAET-UHFFFAOYSA-N 314.777 -0.631 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)CCn3cncn3)[C@H]2C1 1454468261 HIWZYSOFPKZPFD-MEWQQHAOSA-N 302.338 -0.599 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1 1454884290 OAETTWYLNUZEMU-VHSXEESVSA-N 303.322 -0.492 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC[C@@H](NC(=O)CNC(=O)OC)C1 1494258647 LYPKMQYMOGDHRS-VXGBXAGGSA-N 324.381 -0.939 30 20 DBED Cn1nccc1C(=O)NC[C@@H](O)CNC(=O)c1ccc(C#N)[nH]1 1501449666 KIOYQVKMNCMJSN-JTQLQIEISA-N 316.321 -0.859 30 20 DBED C[C@@H](CNC(=O)c1cc(C(N)=O)c[nH]1)N(C)C(=O)[C@H](C)C#N 1509040723 VZRZIXOOAOEPCP-BDAKNGLRSA-N 305.338 -0.150 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(C(=O)CCNC(N)=O)[C@@H]1C 1511166978 ICNWEQHBLCZHAO-MNOVXSKESA-N 312.370 -0.647 30 20 DBED C=CCNC(=O)CN1CCC[C@@H](NC(=O)[C@@H]2CCNC(=O)C2)C1 1566620103 GSSSPFNSCMLRCI-CHWSQXEVSA-N 322.409 -0.605 30 20 DBED CN1CCC(NC(=O)Cn2cc(C(=O)O)cc(C#N)c2=O)CC1 1571140285 RNWXUPUGHLSJGV-UHFFFAOYSA-N 318.333 -0.371 30 20 DBED C=C(Cl)C[C@@H](NC(=O)CNS(=O)(=O)N(C)C)C(=O)O 1573307768 NHBALCZMTWNRNR-SSDOTTSWSA-N 313.763 -0.906 30 20 DBED C[C@H]1CS(=O)(=O)CCN1c1cnc(-c2nn[nH]n2)c(C#N)n1 1576378776 UFJFKXLVYSFAKI-ZETCQYMHSA-N 320.338 -0.848 30 20 DBED C=CCCOCC(=O)N1CCN(C(=O)[C@@H]2C[C@H]2C(=O)O)CC1 1588810443 QMCIZVLPQJJBMU-VXGBXAGGSA-N 310.350 -0.029 30 20 DBED C[C@H]1CN(CCS(=O)(=O)CC(=O)O)C[C@@H](C)N1CC#N 1589399721 HYTHVQJQCYFFMK-PHIMTYICSA-N 303.384 -0.596 30 20 DBED CSCC[C@H](O)C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[nH]1 1591700983 WVLWOOYNQPQZNA-LURJTMIESA-N 308.327 -0.486 30 20 DBED N#CC1(C(=O)O)CCN(C(=O)CCCN2C(=O)CNC2=O)CC1 1601048843 KKPKOFVKCQQXHH-UHFFFAOYSA-N 322.321 -0.465 30 20 DBED C#CCNC(=O)CN1CCC(N2C[C@H](C(=O)O)CC2=O)CC1 1602701870 AJPMINMQDHTPMU-LLVKDONJSA-N 307.350 -0.867 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)Nc1ccc(-c2nn[nH]n2)cn1 1602719916 LFOTXSLXCAWWME-UHFFFAOYSA-N 323.316 -0.315 30 20 DBED C=C(CCN(C)C)C(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)O 1602787529 JNLXMVVVTQERLO-NSHDSACASA-N 318.395 -0.405 30 20 DBED N#Cc1nc(N)n(CCCN2CCOCC2)c1-c1nn[nH]n1 1606389950 WVGFBOOGZJQAPS-UHFFFAOYSA-N 303.330 -0.761 30 20 DBED N#Cc1ncc(N2CCC3(CC2)OCCO3)nc1-c1nn[nH]n1 1606397534 SPCKYOUQHWQHGC-UHFFFAOYSA-N 314.309 -0.128 30 20 DBED C=CCN1CCC(NS(=O)(=O)N(C)CCC(=O)O)CC1 1609398661 AMCGTWGGJDDMEI-UHFFFAOYSA-N 305.400 -0.122 30 20 DBED CCN(CCO[C@H](C)C#N)CC(=O)N[C@@H]1CCS(=O)(=O)C1 1645762975 CLLLDZKIFKXDTK-VXGBXAGGSA-N 317.411 -0.460 30 20 DBED C=CCNC(=O)[C@H](C)N[C@H]1C[C@H](NC(=O)c2ccn(C)n2)C1 1752682715 UCLORZSWSVFYIR-SRVKXCTJSA-N 305.382 -0.039 30 20 DBED C#CCNC(=O)CN1CCC[C@H](CNC(=O)c2cnns2)C1 1752779973 YFXNDGBPDILZPP-LLVKDONJSA-N 321.406 -0.271 30 20 DBED C#CCNC(=O)CN[C@@H](C)CNC(=O)Cc1ccc(F)cn1 1752882593 YPALLAVEZKQDPC-NSHDSACASA-N 306.341 -0.393 30 20 DBED C#CCNC(=O)CN(C)CCNC(=O)c1cn2c(n1)CCC2 1753049508 FRFVCCQPTFVNOO-UHFFFAOYSA-N 303.366 -0.760 30 20 DBED C#CCNC(=O)CNC[C@@H](O)CNC(=O)[C@H]1CCCC1(C)C 1753924247 YBIBIARKTXXTNI-CHWSQXEVSA-N 309.410 -0.371 30 20 DBED CC1(C)C[C@H]1C(=O)NC[C@@]1(O)CCN(CC(=O)NCC#N)C1 1754748425 INIMFWVBRKRURV-NHYWBVRUSA-N 308.382 -0.775 30 20 DBED C=C(C)CCN1CC[C@](O)(CNC(=O)CCn2cnnn2)C1 1754761077 UJWRLAUPCBVTRT-AWEZNQCLSA-N 308.386 -0.418 30 20 DBED C=C(C)CN1CC[C@@](O)(CNC(=O)CN2CCC(=O)NC2=O)C1 1754761338 WMNCYSVBHJSXTO-OAHLLOKOSA-N 324.381 -0.943 30 20 DBED C[C@H]1CN(C(=O)C2=COCCO2)C[C@@H]1CNCC(=O)NCC#N 1754809532 UPLPXZBSYKFSRP-RYUDHWBXSA-N 322.365 -0.802 30 20 DBED N#Cc1c[nH]c(C(=O)N2CCC[C@@](CO)(NCCCO)C2)c1 1755084986 WSKHMRHPQXEZJQ-OAHLLOKOSA-N 306.366 -0.175 30 20 DBED CC1(CC(=O)N2CCC[C@@](CO)(NCC(=O)NCC#N)C2)CC1 1755086376 IRELWYZRRKBPRE-MRXNPFEDSA-N 322.409 -0.241 30 20 DBED N#CCN1CCC(CO)(NC(=O)c2cc3n(n2)CCO3)CC1 1755178149 RKIUYIFCKRHSCQ-UHFFFAOYSA-N 305.338 -0.644 30 20 DBED C#CCN(C)C[C@H]1CCCN1C(=O)CN1CCCS1(=O)=O 1755194519 AIOAXCUNZCWQBN-CYBMUJFWSA-N 313.423 -0.422 30 20 DBED CC#CCNC[C@H](O)CN(C)C(=O)c1cc(C)c(C(N)=O)cn1 1755788542 VEPQUFSEXCSGNY-LBPRGKRZSA-N 318.377 -0.465 30 20 DBED CC(C)C#CC(=O)N1CC(CCO)(NC(=O)Cc2ccon2)C1 1756080219 FYSMVCGEEPFHQB-UHFFFAOYSA-N 319.361 -0.044 30 20 DBED C[C@H](NC(=O)Cn1cnnn1)C1CN(C(=O)C#CC(C)(C)C)C1 1756127497 SUPPNLIVVYTJHI-NSHDSACASA-N 318.381 -0.314 30 20 DBED C=CCCC(=O)N[C@H](C)C1CN(C(=O)CN2CCNC(=O)C2)C1 1756130950 XHKIMSOEYSQMPC-GFCCVEGCSA-N 322.409 -0.653 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@@H](NC(=O)CC(N)=O)C(C)(C)C1 1756178845 OGOOUQMRTMVSPR-WDEREUQCSA-N 309.366 -0.747 30 20 DBED C=CCCCC(=O)N(C)C[C@@H](O)CNC(=O)[C@@H]1COCCO1 1756675678 BXWKKYHCBWUWNI-STQMWFEESA-N 314.382 -0.306 30 20 DBED C=CCOCC(=O)NC[C@H](O)CN(C)C(=O)c1cnc(C)n1C 1756677421 UNYZZZJVVLVSRK-LBPRGKRZSA-N 324.381 -0.520 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(C(=O)c2cscn2)C[C@H]1O 1756997256 LDBGSPUNJFHQLM-ZYHUDNBSSA-N 323.374 -0.516 30 20 DBED CO[C@@H]1CN(C(=O)Cc2ccon2)C[C@H]1NC(=O)C#CC1CC1 1757127420 FWJQSYBVQDGKHO-ZIAGYGMSSA-N 317.345 -0.028 30 20 DBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCC1CNC1 1771750014 JGVFQBBVIQRHMX-UHFFFAOYSA-N 308.363 -0.939 30 20 DBED C=CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(C)=O 1800513083 DOMWTYKKBAJANZ-JJLQDPRZSA-N 309.366 -0.712 30 20 DBED O=C1C[C@H](C(=O)N2CC3(CCCN3C(=O)C#CC3CC3)C2)CN1 1841542237 XTNLPOGWGIHYFU-ZDUSSCGKSA-N 315.373 -0.261 30 20 DBED C#CCCCCC(=O)N1CC2(CCCN2C(=O)[C@@H](N)CN)C1 1843350363 IYUFZYCJILVTOW-ZDUSSCGKSA-N 306.410 -0.331 30 20 DBED C#CCCC(=O)N1CCCC12CN(C(=O)Cn1cncn1)C2 1846995939 WBEANBVVJGDVAW-UHFFFAOYSA-N 301.350 -0.105 30 20 DBED C=CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](N)CN 1847812209 KQPNQFRQHMJDNC-VOAKCMCISA-N 310.398 -0.935 30 20 DBED C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)C(N)=O)c1 53395786 DLJIHPQJKDSJFQ-SECBINFHSA-N 311.363 -0.246 30 20 DBED CN(CCC#N)S(=O)(=O)N1CCN(c2cnn(C)c2)CC1 81186739 VWGCRXAQNUSOIS-UHFFFAOYSA-N 312.399 -0.368 30 20 DBED Cn1c(SCCN2CCOCC2)c(C#N)c(=O)n(C)c1=O 90069690 ZCWHSLHHHKDKRN-UHFFFAOYSA-N 310.379 -0.620 30 20 DBED C=CCN(CCOC)[C@@H](C)C(=O)N[C@@H]1CCS(=O)(=O)C1 191106513 ZODWJYKWBJBSNL-NWDGAFQWSA-N 304.412 -0.187 30 20 DBED CCN1CN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CC1=O 191588517 MCPDAGOZEOFUGC-AWEZNQCLSA-N 321.425 -0.200 30 20 DBED N#C[C@@H]1CN(CCOc2ccc(S(N)(=O)=O)cc2)CCO1 264363782 IEVJPSKYZCRMIM-GFCCVEGCSA-N 311.363 -0.063 30 20 DBED C#CCOc1ccccc1NC(=O)C(=O)NC[C@@H](O)COC 274714577 BIDAZLCZVNVOMM-LLVKDONJSA-N 306.318 -0.239 30 20 DBED C=CCOc1cccc(NC(=O)C(=O)N2C[C@@H](O)[C@H](O)C2)c1 277513290 LBKVPUNQJBTRMG-CHWSQXEVSA-N 306.318 -0.246 30 20 DBED COC(=O)C[C@H](NS(=O)(=O)c1ccc(C#N)o1)C(=O)OC 286449415 ACXSLCPBMFIOJS-QMMMGPOBSA-N 316.291 -0.466 30 20 DBED CC(C)CCN/C(N)=N/CCC(=O)N[C@@H]1CCS(=O)(=O)C1 303888954 LTFSYGQBNSZOQP-LLVKDONJSA-N 318.443 -0.370 30 20 DBED CN1CCO[C@@H](C/N=C(/O)CCSc2nnnn2C)C1 328756685 UIQYFRYUZPOPEF-VIFPVBQESA-N 300.388 -0.021 30 20 DBED CCN1CCN(CC(O)=Nc2nncn2C2CC2)C(=O)C1=O 329115627 MWYNLTKJMZBLER-UHFFFAOYSA-N 306.326 -0.108 30 20 DBED C[C@H]1CS(=O)(=O)C[C@H]1/N=C(/O)N1C[C@@H]2OCCN(C)[C@@H]2C1 329675186 UHAIYKQKRZPBIV-QCNOEVLYSA-N 317.411 -0.652 30 20 DBED N#CCCn1ccc(NC(=O)N2CCN3CCOC[C@H]3C2)n1 329861999 YFUADIDKUWUQMV-GFCCVEGCSA-N 304.354 0.345 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)NCCOCCN(C)C 336899355 PLRJEFOLZUCAOM-GFCCVEGCSA-N 306.432 -0.119 30 20 DBED COCCN(CCC#N)S(=O)(=O)NC[C@](C)(O)CCOC 337102219 WXQWRZITGHOAJJ-GFCCVEGCSA-N 323.415 -0.530 30 20 DBED C=CCN(C(=O)[C@@H]1CCCC(=O)N1)[C@@H]1CCS(=O)(=O)C1 340096037 XCPJEAVDSPDIOM-MNOVXSKESA-N 300.380 -0.143 30 20 DBED CN(CC(=O)NCC#N)C[C@H]1C[C@@H](F)CN1Cc1ncccn1 348119500 MSKXQHRMBHFCFM-CHWSQXEVSA-N 320.372 -0.039 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(C)Cc2ccnn2C)C1=O 349315369 URDCKTSDNAACLQ-UHFFFAOYSA-N 319.321 -0.645 30 20 DBED COC(=O)C(C)(C)NC(=O)C(=O)Nc1nn(C(C)C)cc1C#N 354861612 PYVDUKGJIXTWQY-UHFFFAOYSA-N 321.337 0.342 30 20 DBED CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)c2cnn(C)c2C#N)O1 356663398 FJCCLTMNGAEFBB-SKDRFNHKSA-N 305.338 -0.343 30 20 DBED C[C@H]1CC(=O)NCCN1CC#CCN1CCNC(=O)C[C@H]1C 367449050 MMBTUOUPNJGDCM-OKILXGFUSA-N 306.410 -0.589 30 20 DBED C=CCNC(=O)NC(=O)CN1CCN([C@H]2CCC[C@H]2O)CC1 369266197 ATDAPGPSSSPUAC-QWHCGFSZSA-N 310.398 -0.471 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@@H]1COC[C@@H]1OC 416570010 MICWGLSMMLOZEW-MNOVXSKESA-N 307.372 -0.903 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2nocc2C)C1=O 440250704 BHZCHCAZXMTFBA-SNVBAGLBSA-N 306.322 0.167 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)CCc2ccnn2C)CC1 491349539 IURPMQGJDILRCG-UHFFFAOYSA-N 317.393 -0.754 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2ccnn2C(C)C)CC1 491425724 BWJLVFHYFXJQEY-UHFFFAOYSA-N 317.393 -0.029 30 20 DBED C#C[C@@H]1COCCN1C(=O)C(=O)NCc1ccc(C(=O)O)cc1 491811562 CALLKESWMGJZGY-CYBMUJFWSA-N 316.313 -0.138 30 20 DBED CNS(=O)(=O)CCNS(=O)(=O)c1ccc(C#N)cc1F 526129885 WEJHVYNRBNLJCE-UHFFFAOYSA-N 321.355 -0.475 30 20 DBED CN(C)S(=O)(=O)NCCNC(=O)NCC1(CC#N)CC1 596614610 VJMQVXCQLKQMBI-UHFFFAOYSA-N 303.388 -0.625 30 20 DBED CCOCCS(=O)(=O)NCC(=O)N(C1CC1)[C@H](C)C#N 598130783 GZFBRGJBJCZQBQ-SNVBAGLBSA-N 303.384 -0.155 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N1CCN(CCC#N)CC1 601475467 BPEIZBHIGIBGHZ-UHFFFAOYSA-N 308.382 -0.295 30 20 DBED C=CCNC(=O)NC(=O)CN(C)[C@H](COC(C)C)C(=O)OC 610828633 IKCNWVAWOXNZLQ-LLVKDONJSA-N 315.370 -0.103 30 20 DBED N#CCc1ccc(OC[C@H](O)CN2C[C@@H](O)C[C@H]2CO)cc1 613175665 ALTDSKHIQDQDFJ-SOUVJXGZSA-N 306.362 -0.080 30 20 DBED N#Cc1ncccc1S(=O)(=O)NC1CCN(CC(N)=O)CC1 758081193 JZRQZFRROFSMBJ-UHFFFAOYSA-N 323.378 -0.819 30 20 DBED C#CCNS(=O)(=O)c1ccc(C(=O)NN2CCCC2=O)cc1 770545721 GBZCIVBWSVUAGO-UHFFFAOYSA-N 321.358 -0.135 30 20 DBED C#C[C@@H](NC(=O)C(=O)NC1CCN(CC)CC1)[C@@H]1CCCO1 775035850 RXPHBRRHSQKRBN-KGLIPLIRSA-N 307.394 -0.116 30 20 DBED N#CCCCS(=O)(=O)NC(=O)[C@@]12CCC(=O)N1CCS2 776123553 OSPDPEXWAZEDEZ-NSHDSACASA-N 317.392 -0.198 30 20 DBED CS(=O)(=O)CC(=O)NS(=O)(=O)CC1(C#N)CCCC1 779319753 KKJQNUASDWBNKT-UHFFFAOYSA-N 308.381 -0.439 30 20 DBED N#Cc1ccc(C(=O)N2CCO[C@H](c3nn[nH]n3)C2)cc1O 785411856 ZJHJXYXPWPEUQR-NSHDSACASA-N 300.278 -0.009 30 20 DBED C=C(C)[C@H]1OCC[C@@H]1CNS(=O)(=O)CCS(C)(=O)=O 797841326 LVSUUEKOQIEYOE-GHMZBOCLSA-N 311.425 -0.068 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@H](C)CO[C@H]1CCOC1)[C@@H]1CCCO1 808279798 WHXNFMXUGRYHMS-RFGFWPKPSA-N 324.377 -0.406 30 20 DBED C#CCCCCC(=O)NS(=O)(=O)N1CCN(C(C)=O)CC1 813945255 HLYWPRHLWZTRKZ-UHFFFAOYSA-N 315.395 -0.295 30 20 DBED C[C@]1(C(=O)O)CCN(C(=O)C(=O)Nc2cnn(CC#N)c2)C1 833552882 BJPHSEBFZCBBIG-ZDUSSCGKSA-N 305.294 -0.332 30 20 DBED N#C[C@@]1(F)CCN(C(=O)[C@H](CO)NC(=O)c2cccc(F)n2)C1 845994267 NUQKYLWDUCEFDI-HZMBPMFUSA-N 324.287 -0.224 30 20 DBED C#CC[C@@H](CCOC)NC(=O)NCCS(=O)(=O)NC1CC1 875102296 XZMQFXJQOKUAQS-NSHDSACASA-N 317.411 -0.204 30 20 DBED C#CCOc1ccccc1CN1C[C@@H](C(N)=O)[C@@H](C(N)=O)C1 895314856 RWCHJAQKMHHKQZ-BETUJISGSA-N 301.346 -0.283 30 20 DBED C#CC1(O)CN(C(=O)c2ccc(C(=O)N3CC(O)(C#C)C3)cc2)C1 900834942 DTBREBFMFJUMHJ-UHFFFAOYSA-N 324.336 -0.673 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@@H]2CCCO2)C1 941237665 FEBWRMJYJAUIHU-ILXRZTDVSA-N 319.405 -0.020 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NC1CCN(C(=O)CC(N)=O)CC1 945625255 MZUQORWCACLERQ-OLZOCXBDSA-N 323.393 -0.050 30 20 DBED C=CCN1CCC2(CC1)CN(C(=O)Cn1cnnc1O)CCO2 949075962 VGWDBLIAYVBLNV-UHFFFAOYSA-N 321.381 -0.137 30 20 DBED O=C(N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O)c1cncs1 961767237 XDLATTHXJNHWJE-MNOVXSKESA-N 305.359 -0.142 30 20 DBED O=C(C#CC1CC1)N1CCOC2(C1)CN(C(=O)c1cc[nH]n1)C2 965372720 BCWSBGBBLYFKKA-UHFFFAOYSA-N 314.345 -0.124 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)c2cc3c([nH]2)CCC3)C1 968927630 RPNBSVYKMFGMEL-FZQKWOKYSA-N 316.361 -0.035 30 20 DBED C=C1CC(C)(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CNC(=O)N3)C2)C1 973531765 MUPXLSLXZXAOPF-DCAQKATOSA-N 306.366 -0.213 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)CN3CCOCC3)C[C@H]21 974973137 CSOIVPVXSXRCLK-MGPQQGTHSA-N 320.393 -0.462 30 20 DBED CC#CCN1C[C@@H]2C(CNC(=O)c3cn(CCOC)nn3)[C@H]2C1 978165376 ZAYNJOKYXNFSFV-ZIAGYGMSSA-N 317.393 -0.145 30 20 DBED C=CCN1C[C@H]2C(CNC(=O)c3cc(=O)n4[nH]cnc4n3)[C@@H]2C1 978959763 FXUAZDVOFTVUOO-QWRGUYRKSA-N 314.349 -0.489 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)c3cn(C)nn3)C[C@H]2C1 986593977 GDEQSUSTVKAGCK-TUAOUCFPSA-N 316.365 -0.105 30 20 DBED N#Cc1c[nH]c(C(=O)N2CCC(N[C@@H]3CCNC3=O)CC2)c1 990789569 KZWPDQFZUJDGNO-GFCCVEGCSA-N 301.350 -0.031 30 20 DBED O=C(Cn1ccnc1)N[C@@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1O 991561288 CMBSYSFPCOMBIG-KGLIPLIRSA-N 316.361 -0.626 30 20 DBED C#CCN[C@@H]1CCCN(C(=O)CN2C(=O)NC(C)(C)C2=O)C1 1000847572 LSNXDQSEIZQZMY-LLVKDONJSA-N 306.366 -0.469 30 20 DBED Cc1nnc(CC(=O)NC2[C@H]3CN(C(=O)C#CC4CC4)C[C@H]23)o1 1013041369 KZOIGGSLKIEGIN-RYUDHWBXSA-N 314.345 -0.093 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2cn(C[C@@H]3CCOC3)nn2)C1 1015916941 UHFXHQKANNSVLK-NWDGAFQWSA-N 304.354 -0.358 30 20 DBED C#Cc1ccc(C(=O)N(C)C2CC(NC(=O)C(N)=O)C2)cn1 1016810311 XXFZNIMIKMKDAY-UHFFFAOYSA-N 300.318 -0.733 30 20 DBED C=CCN1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CC(=O)N(C)C1=O 1018168959 FPBSDCHVMZTROO-TXEJJXNPSA-N 306.366 -0.258 30 20 DBED N#Cc1c[nH]c(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cc[nH]c3)C2)c1 1024100932 MIELZJNEUJQPJK-CHWSQXEVSA-N 313.317 -0.170 30 20 DBED Cc1ncc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2O)c(C)n1 1025098978 MDLQUECPCLUILL-ZEGGKSINSA-N 317.349 -0.445 30 20 DBED C[C@H](NC(=O)c1nnc(O)nc1O)[C@H]1CCCN(CC#N)C1 1025473743 HFCCOHLKNQZDPM-IUCAKERBSA-N 306.326 -0.363 30 20 DBED N#CCN1CC[C@@H](CNC(=O)c2cn(C[C@@H]3CCOC3)nn2)C1 1028900082 UJCXGCMSVQEHHM-STQMWFEESA-N 318.381 -0.110 30 20 DBED CC(=O)N1CCO[C@H](C(=O)N[C@H]2CC[C@H](NCC#N)CC2)C1 1034784691 CAFGCCIJBFVDJD-IHRRRGAJSA-N 308.382 -0.226 30 20 DBED CN1C[C@@H](C(=O)N2CCC3(CCN(CC#N)C3)CC2)NC1=O 1035212661 XIJAHSROZVYPQJ-LBPRGKRZSA-N 305.382 -0.152 30 20 DBED C#CCN1CCC2(CCN(C(=O)Cn3c(O)nnc3O)CC2)C1 1035250253 KPABCYHNPOLNSV-UHFFFAOYSA-N 319.365 -0.363 30 20 DBED N#CCN1CCO[C@@H](CNC(=O)[C@@H]2CCc3ncncc3C2)C1 1035391369 HPEZICGGDNDYKS-OCCSQVGLSA-N 315.377 -0.078 30 20 DBED C#CCN[C@@H]1CCN(C(=O)CCn2ncn(C)c2=O)C[C@H]1C 1036115150 KTAUWJQAFYYWOK-CHWSQXEVSA-N 305.382 -0.568 30 20 DBED CC#CCN1CC[C@@H]2CN(C(=O)CN3CCOCC3=O)CC[C@H]21 1036738733 MMSBGQNVBVOWCR-HUUCEWRRSA-N 319.405 -0.209 30 20 DBED C=CCCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)CN1C(=O)CN(C)C1=O 1037711991 CWVNXBZZYCWXDA-UHIISALHSA-N 306.366 -0.355 30 20 DBED C=CCN1CC[C@H](N2CC[C@@H]2CNC(=O)c2cnnn2C)C1=O 1038214107 KKQCTCPWAWZABV-NEPJUHHUSA-N 318.381 -0.594 30 20 DBED C=C(C)CN1CC[C@H]1CNC(=O)[C@H]1CCN(C)S1(=O)=O 1038801393 MKYSSCPEGIQMFN-NWDGAFQWSA-N 301.412 -0.213 30 20 DBED C#CCCCC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2CCN(C)C2)C1 1039575856 HFZQYZACBYSMEE-PBHICJAKSA-N 321.421 -0.179 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@]1(O)CCN(C(=O)c2ccon2)C1 1039576848 YOTIZISVVUGBNC-CABCVRRESA-N 323.349 -0.305 30 20 DBED C=CCOCC(=O)N1CC[C@](O)(CNC(=O)C#CC(C)C)C1 1039663330 CWOAVOSFHNUZBU-INIZCTEOSA-N 308.378 -0.072 30 20 DBED Cc1cc(C#N)nc(N2C[C@H](NC(=O)C(N)=O)CC[C@H]2C)n1 1039801892 PHCKHUQFPXKSDB-NXEZZACHSA-N 302.338 -0.385 30 20 DBED C#CCN1CCC(C(=O)NC[C@@]2(O)CCN(C(C)=O)C2)CC1 1040100599 SRLWJEXJZXNOML-INIZCTEOSA-N 307.394 -0.569 30 20 DBED C#CCCCC(=O)N1CC[C@@](O)(CNC(=O)c2ncccn2)C1 1040674156 SPBORQZWIPGLGN-MRXNPFEDSA-N 316.361 -0.027 30 20 DBED C#CCC1(C(=O)N2CC(O)(CNC(=O)COCC)C2)CCC1 1041308441 BOLJMRHHLVAPIK-UHFFFAOYSA-N 308.378 -0.094 30 20 DBED C#CCN1CC[C@]2(CCN(C(=O)[C@H]3CCS(=O)(=O)C3)C2)C1 1041450252 CHGAKIIANDOPHG-ZFWWWQNUSA-N 310.419 -0.021 30 20 DBED CC#CCCCC(=O)N1CC(O)(CNC(=O)[C@H]2COCCO2)C1 1041604141 PCGAMAHZWBKGEL-CYBMUJFWSA-N 324.377 -0.715 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)c2c[nH]cc2C)C1 1042052051 AEXXIASZKJTUOW-UHFFFAOYSA-N 307.350 -0.171 30 20 DBED CN(C(=O)c1cc(C#N)c[nH]1)C1CN(Cc2nnn(C)n2)C1 1042589715 MXZUDIBVZXBPNP-UHFFFAOYSA-N 300.326 -0.634 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)c2ccc(C#N)[nH]2)C1 1042608367 CZWMBUXMJAFZPE-UHFFFAOYSA-N 314.345 -0.151 30 20 DBED Cc1nc(C(=O)N2CC(O)(CNC(=O)C#CC(C)C)C2)co1 1042936920 UYZAGEHPBXBFHT-UHFFFAOYSA-N 305.334 -0.054 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)C(F)=C(C)C)C1 1043039405 GDCIDLLNMLGFGL-NSHDSACASA-N 312.341 -0.022 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)c2c(C)ncn2C)C1 1043476131 CYYFWXLSWUMXDX-UHFFFAOYSA-N 322.365 -0.766 30 20 DBED O=C(Cc1cncs1)NCC1(O)CN(C(=O)C#CC2CC2)C1 1043480469 QLYXQADEZRKPKD-UHFFFAOYSA-N 319.386 -0.212 30 20 DBED C=CCCOCC(=O)NCC1(O)CN(C(=O)CCOCC)C1 1043565146 LEWGHCGUHOJIKX-UHFFFAOYSA-N 314.382 -0.305 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)[C@]2(C)CCNC(=O)C2)C1 1043683806 YTNMIPGRLVOIAJ-OAHLLOKOSA-N 323.393 -0.442 30 20 DBED C=CCn1cc(C(=O)N(C)C2CN([C@@H]3CCCNC3=O)C2)nn1 1044021144 PPSXTZZSZSTESC-CYBMUJFWSA-N 318.381 -0.501 30 20 DBED CC#CCCCC(=O)N1CC(O)(CNC(=O)Cc2ncc[nH]2)C1 1045287760 YRXUDUCBOJDKAO-UHFFFAOYSA-N 318.377 -0.165 30 20 DBED C=CCN1CC[C@@H](N2CCN(C(=O)[C@@H]3CN(C)CCO3)CC2)C1 1046014513 YSDYFLJVAJOJBF-CVEARBPZSA-N 322.453 -0.279 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)C(C)(C)N2CCOCC2)C1 1047565176 HETAEKCCYWWOFK-KBPBESRZSA-N 311.426 -0.213 30 20 DBED COCC(C)(C)C(=O)N(C)[C@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1O 1049079000 KCSHQKMQDUNCGW-SRVKXCTJSA-N 311.382 -0.151 30 20 DBED CC1(C)NC(=O)N(CC(=O)N2C[C@@H]3CN(CC#N)C[C@@H]3C2)C1=O 1049200706 VHJPLCDZWDRJGR-PHIMTYICSA-N 319.365 -0.769 30 20 DBED C=CCOCC(=O)N1CC[C@@H]([C@@H](C)NC(=O)Cn2ncnn2)C1 1050298584 WJRHELOZDQYIAL-VXGBXAGGSA-N 322.369 -0.771 30 20 DBED C=CCCN1CCOC[C@H]1CNC(=O)c1cn(CCOC)nn1 1050907374 XPEBPLGBPIXDJC-CYBMUJFWSA-N 323.397 -0.069 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)[C@H]1CCc2cncn2C1 1050991024 RVJXBGINLRNZTA-DZGCQCFKSA-N 302.378 -0.104 30 20 DBED N#CCN1CCOC[C@H]1CNC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1051044782 QLAZUUVXYHUWQU-RFQIPJPRSA-N 309.366 -0.622 30 20 DBED C#CCN1CCC[C@@H](NC(=O)[C@@H]2CN(C(C)=O)CCO2)CC1 1052905365 KHRIMOSZSZJSOO-CABCVRRESA-N 307.394 -0.162 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)c2nnn(C)n2)C[C@@H]1C 1053172628 WPUNIWSQNJSXTC-RYUDHWBXSA-N 318.381 -0.162 30 20 DBED C=C(C)CN1CC2(C1)CN(C(=O)C1CC(=O)NC(=O)C1)CCO2 1053470304 KIWXOVLXPRUISH-UHFFFAOYSA-N 321.377 -0.472 30 20 DBED C#CCN1CC2(C1)CN(C(=O)[C@]1(C)CCN(C(C)=O)C1)CCO2 1053501733 XZLFYDYLWDJCFS-MRXNPFEDSA-N 319.405 -0.209 30 20 DBED C#CCN1CC2(CC[C@@H](CNC(=O)[C@H]3COCCN3CC)O2)C1 1053620945 XKSADBGTLUJGCH-LSDHHAIUSA-N 321.421 -0.310 30 20 DBED Cn1c(C(=O)NC[C@H]2CCC3(CN(CC#N)C3)O2)cccc1=O 1053659646 VVIGXNSTHNIZGG-GFCCVEGCSA-N 316.361 -0.128 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)C[C@@H]3CCN(C)C3=O)CO2)C1 1053841096 ACZQGXSICXMVBI-QWHCGFSZSA-N 305.378 -0.553 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)CN3CCCCCC3=O)CO2)C1 1054002460 ZDBCNXZIBBWWTJ-CYBMUJFWSA-N 320.393 -0.128 30 20 DBED C=CCN1CC2(C[C@H](NC(=O)c3cccc(C(N)=O)n3)CO2)C1 1054019824 DBQVGDKMNTUXNP-NSHDSACASA-N 316.361 -0.060 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)C[C@@H]3CC(=O)NC3=O)CO2)C1 1054026009 OLXDJESCLGNODV-NEPJUHHUSA-N 319.361 -0.978 30 20 DBED O=C(C#CC1CC1)N[C@]1(CO)CCCN(C(=O)[C@@H]2CCOC2)C1 1055936116 CEZVTKLVOZRFFE-RHSMWYFYSA-N 320.389 -0.094 30 20 DBED CC(=O)N(C)CC(=O)N1CCC[C@](CO)(NC(=O)[C@@H](C)C#N)C1 1056093839 OCXOQJSBCZSNTC-NHYWBVRUSA-N 324.381 -0.906 30 20 DBED Cc1cc(N2C[C@H]3[C@H](NC(=O)Cn4ncnn4)[C@H]3C2)c(C#N)cn1 1056308523 DODSAFLKLIFJAL-JYAVWHMHSA-N 324.348 -0.501 30 20 DBED C=CCOCC(=O)N1C[C@@H]2CCCN(C(=O)CNC(N)=O)[C@@H]2C1 1056594880 FUVSVFTTXAHYJZ-NWDGAFQWSA-N 324.381 -0.693 30 20 DBED C[C@@H](C(=O)N1CC[C@@H](Nc2cncc(C#N)n2)C1)S(C)(=O)=O 1056814502 PJHGQDQVSRLXEG-VHSXEESVSA-N 323.378 -0.206 30 20 DBED CN(c1ccncc1C#N)[C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 1057012543 JRRWXFNJNKDQAZ-NWDGAFQWSA-N 314.349 -0.328 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)c1nonc1C 1057196519 LOPYZPICQOMURO-UHFFFAOYSA-N 312.326 -0.869 30 20 DBED C#CCOCCC(=O)NCCN(CCO)C(=O)COCC=C 1057196599 ONHYTBJPYPXXJM-UHFFFAOYSA-N 312.366 -0.834 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)c1cn(C)nn1 1057439345 IYDIOUSHTOGBEC-UHFFFAOYSA-N 307.354 -0.831 30 20 DBED N#Cc1nc(=N[C@@H]2CCCN(C(=O)Cn3nccn3)C2)cc[nH]1 1057703263 PWDODLIOJXDSTC-LLVKDONJSA-N 312.337 -0.535 30 20 DBED C=C[C@H](C)[C@@H](C)C(=O)N(CCO)CCNC(=O)CNC(C)=O 1058433816 YCVGQUCCTNEKKQ-NWDGAFQWSA-N 313.398 -0.482 30 20 DBED N#Cc1cncc(N2CC[C@@H](NC(=O)[C@@H]3CCCNC3=O)C2)n1 1058467281 IGNHQGOTEFJOGL-ZYHUDNBSSA-N 314.349 -0.431 30 20 DBED CC(=O)NCC(=O)N1CC[C@H](CCNC(=O)C#CC2CC2)C1 1059051169 YYLHXNQPEHLZPT-AWEZNQCLSA-N 305.378 -0.109 30 20 DBED N#Cc1nc(=N[C@H]2C[C@H](NC(=O)[C@H]3CC[C@H]3C(N)=O)C2)cc[nH]1 1059368147 GUJRXGHKZWIYMX-DBIOUOCHSA-N 314.349 -0.659 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 1060864710 ADCIGSMQJXYDTN-GWCFXTLKSA-N 315.333 -0.256 30 20 DBED C#CCOCCC(=O)N1CCOC[C@H]1CNC(=O)[C@@H]1CCCO1 1061247174 BWUYEKHZUUOUAP-KGLIPLIRSA-N 324.377 -0.451 30 20 DBED Cn1cnc(C(=O)NC[C@@H]2CCN(c3nccnc3C#N)C2)n1 1061582471 CGGOIRJBVDKBBH-JTQLQIEISA-N 312.337 -0.267 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H]1COCCN1C(=O)c1cnon1 1061587452 NNEQOPZNIGCONN-QWRGUYRKSA-N 322.321 -0.935 30 20 DBED Cc1nc(CC(=O)N2CCOC[C@H]2CNC(=O)[C@@H](C)C#N)n[nH]1 1061847081 ILRMGYMKJUKYID-GXSJLCMTSA-N 320.353 -0.841 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)CCOCC)CCO1 1064962468 CJNOBCYJITVVNI-ZDUSSCGKSA-N 314.382 -0.041 30 20 DBED C=CCOCC(=O)N1CCO[C@@H](CNC(=O)Cn2ccnc2)C1 1064974139 MDQHOLCWSXSDNE-ZDUSSCGKSA-N 322.365 -0.571 30 20 DBED CCC(=O)NCC(=O)NC[C@H]1CN(C(=O)[C@@H](C)C#N)CCO1 1065556639 JAHJIDGBKUCUAG-QWRGUYRKSA-N 310.354 -0.984 30 20 DBED CN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CN(c2ncccn2)C[C@@H]1O 1065584109 BCNFNFIFYHXLNA-STQMWFEESA-N 312.333 -0.002 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CCCN(C(=O)CCn2cnnn2)CC1 1066478518 KLLPPUAXWCXIJW-NWDGAFQWSA-N 319.369 -0.280 30 20 DBED C=CCOCC(=O)N(C)CCCN(C)C(=O)[C@H](C)NC(N)=O 1066999015 MGNNEWZTXXZUCT-NSHDSACASA-N 314.386 -0.447 30 20 DBED C[C@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@@H]1N=c1cc[nH]cc1C#N 1067186037 BNISBBADTHJSBI-GWCFXTLKSA-N 313.361 -0.101 30 20 DBED CN(C(=O)C(N)=O)[C@@H]1CCCN(c2nccnc2C#N)CC1 1067607647 FRCHUZNZAFJTPM-SNVBAGLBSA-N 302.338 -0.349 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@@H]2CN(c3ncccn3)C[C@@H]2O)c1 1067660827 MAXWORSFRKUVKF-YPMHNXCESA-N 312.333 -0.097 30 20 DBED C[C@@H](Nc1cncc(C#N)n1)[C@@H]1CN(C(=O)CC(N)=O)CCO1 1068227339 JOWCEMJCLAGFNU-KOLCDFICSA-N 318.337 -0.749 30 20 DBED C[C@@H](Nc1ccc(C#N)nc1)[C@@H]1CN(C(=O)C(N)=O)CCO1 1068244537 XVLVFOQHFLQLOA-SKDRFNHKSA-N 303.322 -0.534 30 20 DBED C=CCOCC(=O)N[C@@H]1CCCN(C(=O)[C@H]2CCCC(=O)N2)C1 1070882799 GCAKZILGKWBGNG-CHWSQXEVSA-N 323.393 -0.035 30 20 DBED C[C@H](C(=O)N1CCC(=O)NCCN(CC#N)CC1)[C@H]1CCCO1 1070996531 WTTUVMDFJNUDNM-UONOGXRCSA-N 322.409 -0.024 30 20 DBED C#CCCCCC(=O)N1C[C@@H](NC(=O)CNC(N)=O)[C@H](C)C1 1071922402 SWOYSRKMFMQIMV-VXGBXAGGSA-N 308.382 -0.189 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(C(=O)CC(=O)NC)C[C@@H]1C 1071976248 YRSWBKPHRBMTRM-NWDGAFQWSA-N 309.366 -0.875 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1C 1072014226 NPRFSCULAWQHIK-VXGBXAGGSA-N 321.381 -0.016 30 20 DBED C#CCCN1CCCO[C@H](CNC(=O)[C@@H]2CC(=O)N(C)C2)C1 1073630224 PUILCKQIQGNQKU-ZIAGYGMSSA-N 307.394 -0.305 30 20 DBED N#CCN1CCCO[C@@H](CNC(=O)[C@H]2CCCc3nn[nH]c32)C1 1073749402 YGMABVGQPNRSNP-RYUDHWBXSA-N 318.381 -0.045 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)c3ccc(=O)n(C)c3)C[C@@H]21 1074284726 RICASLXFCCGHDT-GJZGRUSLSA-N 315.373 -0.066 30 20 DBED C#CCC1(C(=O)NCC2(O)CCN(C(=O)C(N)=O)CC2)CCC1 1074702065 MEDYJZZMGPRZQQ-UHFFFAOYSA-N 321.377 -0.865 30 20 DBED CC(C)C#CC(=O)N1CC[C@@H](NC(=O)Cn2ncnn2)C[C@H]1C 1075004143 LYLMPCPLBTVYPA-CHWSQXEVSA-N 318.381 -0.172 30 20 DBED C[C@@H](CCNC(=O)c1cncc(C(N)=O)c1)NC(=O)[C@H](C)C#N 1076616673 OOHNOYKBTZRJLQ-ZJUUUORDSA-N 317.349 -0.035 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H](C)CCNC(=O)Cn1nccn1 1076697623 ZINHLGAQKNRCIX-RYUDHWBXSA-N 309.370 -0.120 30 20 DBED CNC(=O)NCC(=O)NCC[C@H](C)NC(=O)c1ccc(C#N)[nH]1 1076901164 UZKVYGXDVPVZHJ-VIFPVBQESA-N 320.353 -0.560 30 20 DBED C#CCCCC(=O)N[C@@H](C)CCNC(=O)Cn1ncn(C)c1=O 1077211493 WTBPNJBBMGCVHK-LBPRGKRZSA-N 321.381 -0.604 30 20 DBED Cn1cc(C(=O)N[C@@H]2CN(CC#N)C[C@H]2O)c([C@H]2CCOC2)n1 1077457410 NIYOLJTZANAXNV-CYZMBNFOSA-N 319.365 -0.778 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)c2ccc3nnc(O)n3c2)C1 1077829612 JUBTVEOVAHWPRN-VXGBXAGGSA-N 315.333 -0.767 30 20 DBED C[C@@H](CCNC(=O)[C@@H](C)C#N)NC(=O)CCn1ncn(C)c1=O 1078135253 UXZKFZXVFGVMJJ-QWRGUYRKSA-N 322.369 -0.857 30 20 DBED CCN(C(=O)Cn1cnnn1)C1CN(C(=O)C#CC(C)C)C1 1079288182 DUMRTYZAPZEGLA-UHFFFAOYSA-N 304.354 -0.608 30 20 DBED CCN(C(=O)CN1CCOCC1=O)C1CN(C(=O)[C@@H](C)C#N)C1 1079967860 AXIUBQNXHHFNJC-NSHDSACASA-N 322.365 -0.936 30 20 DBED C=CCO[C@H](C)C(=O)N1CC(N(CC)C(=O)[C@@H]2CCNC2=O)C1 1080216266 PCRNXZCTMUUHKT-DGCLKSJQSA-N 323.393 -0.227 30 20 DBED CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)c2cnc(O)n2C)C1 1080420367 SODKCGKGCCRDNG-SECBINFHSA-N 305.338 -0.042 30 20 DBED O=C(NC1(CO)CCN(C(=O)C#CC2CC2)CC1)c1cnn[nH]1 1080910151 NXWVFTYPAIXGAX-UHFFFAOYSA-N 317.349 -0.699 30 20 DBED C#CCOCCC(=O)N1C[C@H](CNC(=O)c2ccco2)[C@@H](O)C1 1081192322 SAFIYVKRNRVSBW-STQMWFEESA-N 320.345 -0.131 30 20 DBED C=CCOCC(=O)N1C[C@H](CNC(=O)c2n[nH]cc2C)[C@@H](O)C1 1081466609 VWXIXLFBQNRQNI-RYUDHWBXSA-N 322.365 -0.530 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H]1CCCCN1C(=O)CC(N)=O 1081974007 VAZQCPMORALNSB-NEPJUHHUSA-N 309.366 -0.603 30 20 DBED C[C@@H](O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1c[nH]c(C#N)c1 1083057190 WNEKNZBLNWQAIZ-DDTOSNHZSA-N 304.350 -0.208 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CCc2cncn2C1 1083125161 HQXRYBHUSKHNFS-CWRNSKLLSA-N 314.389 -0.010 30 20 DBED C=C(Cl)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1nnn(C)n1 1083165699 JDDVQXJABYYCCI-VHSXEESVSA-N 312.761 -0.512 30 20 DBED N#Cc1cccc(CN2C[C@H]3[C@@H](C2)OCCN3C(=O)C(N)=O)c1 1083179066 CZOHFZGVVYIDEK-UONOGXRCSA-N 314.345 -0.545 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)C1 1083505064 ZFTOCCMOWOUILH-MCIONIFRSA-N 321.421 -0.182 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(Cc2cnns2)C[C@@H]1O 1083790127 PVXHGRUEKCCRDQ-NDBYEHHHSA-N 324.406 -0.210 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCCCN2C(N)=O)C1 1083939794 WFWNDPFNGVXSEW-UPJWGTAASA-N 310.398 -0.343 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@@H](C)N2CCCCC2=O)C1 1084084945 GWUINIIHSXGVCX-MCIONIFRSA-N 307.394 -0.428 30 20 DBED C#CCN1C[C@H]2CC[C@H]1[C@@H]1CN(C(=O)CCn3cnnn3)C[C@@H]21 1087399667 VUVVYNBWQQRRCI-BARDWOONSA-N 314.393 -0.135 30 20 DBED C[C@@H](C[C@@H](C)N=c1cc[nH]c(C#N)n1)NC(=O)Cn1ncnn1 1089401810 ZKGLDFSPAYPPEG-ZJUUUORDSA-N 315.341 -0.848 30 20 DBED C#CCN1C[C@@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)Cn2cnnc2O)C1 1089794900 IWBYMAXWXVXRON-FQUUOJAGSA-N 315.377 -0.214 30 20 DBED C=C(Cl)CN1CC[C@@H](NC(=O)c2cc(=O)n(C)o2)[C@H](O)C1 1090225327 NAZZBFXXZLZBHI-NXEZZACHSA-N 315.757 -0.104 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2cc(C(N)=O)co2)[C@@H](O)C1 1090567381 UMDZWIOTUVWHMT-RYUDHWBXSA-N 305.334 -0.433 30 20 DBED N#Cc1cnc(N2CC[C@@H](NC(=O)CC(N)=O)[C@@H](O)C2)c(F)c1 1092132991 AESDWZKURNJUOQ-MNOVXSKESA-N 321.312 -0.976 30 20 DBED N#Cc1ccc(NC2CC(CNC(=O)CNC(N)=O)C2)cn1 1092189366 KYYSHVZLWMILJI-UHFFFAOYSA-N 302.338 -0.072 30 20 DBED Cn1c(O)ncc(C(=O)NCCNc2ccc(C#N)nc2)c1=O 1094032270 FXRAQAPWRWPHGM-UHFFFAOYSA-N 314.305 -0.406 30 20 DBED C=CCN1CC[C@H](N2CC(N3C[C@@H](NC(C)=O)CC3=O)C2)C1=O 1094686979 HBRGNKXBIYIHMI-JSGCOSHPSA-N 320.393 -0.806 30 20 DBED C=C(C)CN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN1CCNC(=O)C1)C2 1094977565 FQFQVWUATJULRD-KKUMJFAQSA-N 320.437 -0.037 30 20 DBED CN(C(=O)CNC(N)=O)C1CCN(c2ccc(C#N)nn2)CC1 1096093109 NRPVZAXCKYHRDB-UHFFFAOYSA-N 317.353 -0.556 30 20 DBED N#Cc1nccnc1N1C[C@@H]2CC[C@H](C1)N2C(=O)CNC(N)=O 1096883030 VLVZVDOBXCXWCE-AOOOYVTPSA-N 315.337 -0.804 30 20 DBED C[C@@H](O)CNCc1cn([C@@H]2CCN(C(=O)C#CC3CC3)C2)nn1 1098669945 ZJVZJRCXLSPLSI-IUODEOHRSA-N 317.393 -0.065 30 20 DBED N#CCNCc1cn([C@@H]2CCN(C(=O)[C@@]3(F)CCOC3)C2)nn1 1098706315 XXTAULYTIPLDRL-TZMCWYRMSA-N 322.344 -0.207 30 20 DBED COCC(=O)NC[C@H]1CCC(C)(C)CN1CC(=O)NCC#N 1098834045 YYFNSXNSQDXCSA-GFCCVEGCSA-N 310.398 -0.121 30 20 DBED N#CCNC(=O)CN1CC[C@@H](NC(=O)c2ccoc2)[C@H](O)C1 1099661272 XEPWLVXWDSKHGF-VXGBXAGGSA-N 306.322 -0.916 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2ocnc2C)[C@@H](O)C1 1099754021 CEMGPLJCEPJOIH-OLZOCXBDSA-N 307.350 -0.202 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)c2cn(C)nn2)[C@@H](O)C1 1099802572 XSZJRQFUZYBYKR-AAEUAGOBSA-N 309.370 -0.817 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CCN(CC(=O)NCC2CC2)C[C@@H]1O 1099821810 YDUOUIGGCIJAJA-CABCVRRESA-N 321.421 -0.277 30 20 DBED C#CCN1CC[C@H](NC(=O)C2(NC(C)=O)CCCC2)[C@H](O)C1 1100031342 DDVSPBTWSOARBR-UONOGXRCSA-N 307.394 -0.380 30 20 DBED C=CCCN1CC[C@H](NC(=O)COCc2nncn2C)[C@@H](O)C1 1100057961 LDJGTUOQYQFKIG-STQMWFEESA-N 323.397 -0.541 30 20 DBED C#CCCN1CC[C@@H](NC(=O)C2(C(=O)N(C)C)CC2)[C@@H](O)C1 1100072441 VQBIWZKPNJUWGE-OLZOCXBDSA-N 307.394 -0.571 30 20 DBED COCC(=O)N[C@H](C)C(=O)NCCN(C)c1ccnc(C#N)n1 1100378628 RRXPDYOIGQFBJJ-SNVBAGLBSA-N 320.353 -0.948 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)c1cccc2ncnn12 1101839381 RBVNFWKCEKNCQB-UHFFFAOYSA-N 322.332 -0.003 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1CNC(=O)[C@H]1CCCCO1 1101881141 KVMKMVZRHCUGAI-MGPQQGTHSA-N 322.409 -0.121 30 20 DBED C[C@H](CNC(=O)[C@@H]1COC(=O)N1)CNc1ccc(C#N)nn1 1103945239 NEQVKIANRHEFAI-WPRPVWTQSA-N 304.310 -0.379 30 20 DBED C[C@H](NS(C)(=O)=O)C(=O)N1C[C@@H](C)[C@H](CCNCC#N)C1 1104724791 GMEBVNOEPWECOF-GRYCIOLGSA-N 316.427 -0.478 30 20 DBED CC(C)C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)CNC(N)=O 1104907070 WLQSWZGXVYTLNU-JTQLQIEISA-N 319.369 -0.619 30 20 DBED CN(CCN(C)c1ccc(C#N)nn1)C(=O)C[C@@H]1CCNC1=O 1105483232 DVFPINSTQHKFHZ-NSHDSACASA-N 316.365 -0.231 30 20 DBED Cc1cnn(CC(=O)NC[C@@H](O)CNc2cnc(C#N)cn2)c1 1105733442 VDRQDHBNPDDHRH-LBPRGKRZSA-N 315.337 -0.558 30 20 DBED N#Cc1cncc(NC[C@@H](O)CNC(=O)[C@@H]2CCCOC2)n1 1105742380 QGQQLNMMWHFGFO-ZYHUDNBSSA-N 305.338 -0.336 30 20 DBED C[C@@H]1CN(C(=O)c2cocn2)C[C@H]1CNCC(=O)NCC#N 1105938080 MTJJJURMSBXIRF-GHMZBOCLSA-N 305.338 -0.388 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H](O)CNC(=O)Cc1cncs1 1105994008 WTLSWGLIGFKTPQ-NSHDSACASA-N 317.374 -0.037 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H](O)CNC(=O)CCc1cnn[nH]1 1106124004 VGRJVNXWDJHLNY-LBPRGKRZSA-N 315.337 -0.985 30 20 DBED CCc1oncc1C(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1 1106126471 MPXODUKHPZSMLS-VIFPVBQESA-N 316.321 -0.477 30 20 DBED C[C@H](CCNc1ccc(C#N)nn1)NC(=O)CCNC(N)=O 1106329234 ZBKJRGJKZQAXRR-SECBINFHSA-N 305.342 -0.287 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)C[C@H]1CCNC1=O 1106873682 XFLVKLVEUOSKAK-LLVKDONJSA-N 316.365 -0.443 30 20 DBED C=CCO[C@H](C)C(=O)N1C[C@@H](C)[C@H](CNCc2nnn(C)n2)C1 1107062803 UKFDTBJTXDMEAE-JHJVBQTASA-N 322.413 -0.015 30 20 DBED C=CCN1CC(n2cc(CNC(=O)Cc3cncnc3)nn2)C1 1107165386 VMLLQBJNMINQIP-UHFFFAOYSA-N 313.365 -0.030 30 20 DBED C#CCN1CC(n2cc(CNC(=O)CO[C@H]3CCOC3)nn2)C1 1107172900 QREXIAXAVODHDV-AWEZNQCLSA-N 319.365 -0.810 30 20 DBED C[C@H](CNc1nccnc1C#N)NC(=O)C[C@@H]1CCNC1=O 1107978597 FFXPLPJEHAZCAZ-ZJUUUORDSA-N 302.338 -0.209 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](C)NC(=O)C2(C(N)=O)CC2)n1 1108098294 XUJWKGABVXMJQT-SECBINFHSA-N 302.338 -0.161 30 20 DBED CN(C)C(=O)C1(C(=O)NC[C@@]2(C)CN(CC#N)CCO2)CC1 1108334321 HVFDXVKWRMYLAG-AWEZNQCLSA-N 308.382 -0.415 30 20 DBED C=CCN1CCO[C@](C)(CNC(=O)CS(=O)(=O)CC)C1 1108419471 MMAQYQGPCNSRLO-CYBMUJFWSA-N 304.412 -0.186 30 20 DBED C[C@H](CN(C)c1ccnc(C#N)n1)NC(=O)C[C@@H]1CCC(=O)N1 1109006778 LEWDSTXPUKUJMF-MNOVXSKESA-N 316.365 -0.042 30 20 DBED C[C@@H](CN(C)c1nccnc1C#N)NC(=O)[C@H]1C[C@H]1C(N)=O 1109242183 FOAWYMMBNDTVFV-AEJSXWLSSA-N 302.338 -0.589 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@]1(O)CCN(c2cc(C)ncn2)C1 1111097630 CWCBPJVDLZRSPU-CJNGLKHVSA-N 318.377 -0.119 30 20 DBED C=CCOCC(=O)N(C)[C@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1111175425 DVTZVORNFKIQQF-STQMWFEESA-N 317.349 -0.441 30 20 DBED Cc1cc(C#N)nc(NCCN(CCO)C(=O)[C@@H]2CCOC2)n1 1111445383 ATCZJGGYBXFFFG-GFCCVEGCSA-N 319.365 -0.074 30 20 DBED CC[C@@H](C)OCC(=O)N(CCO)CCN=c1cc[nH]c(C#N)n1 1111462603 FKQHWLUCPSUINO-GFCCVEGCSA-N 321.381 -0.182 30 20 DBED N#Cc1nccnc1NCCN(CCO)C(=O)CCCC(N)=O 1111485855 NPRUNWNJOALRNL-UHFFFAOYSA-N 320.353 -0.763 30 20 DBED CC(=O)NCC(=O)N1C[C@@H](C)[C@@H](Nc2ccc(C#N)nn2)C1 1112295877 ROGYYQSCKORYGY-SKDRFNHKSA-N 302.338 -0.257 30 20 DBED C#CCOCCC(=O)N1C[C@@H]2CCC[C@]2(CNCC(=O)NC)C1 1112351530 VLLHEIOMNTZSJJ-YOEHRIQHSA-N 321.421 -0.009 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)c2cnn(C)c2)CC1 1112605991 AALONDHPFMZMAN-LBPRGKRZSA-N 303.366 -0.684 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)c2cnnn2C)CC1 1112816707 ZLPQFMXLVOLGIT-LLVKDONJSA-N 306.370 -0.736 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCN([C@H](C)C(=O)NC(=O)NC)CC1 1112841918 RKFMGSNWRIQFDY-NEPJUHHUSA-N 324.381 -0.987 30 20 DBED C#CCOCCC(=O)N1CCN(Cc2cnn(CC)n2)CC1 1112843388 SOZDCZZLLLEMBH-UHFFFAOYSA-N 305.382 -0.018 30 20 DBED C[C@@H](NC(=O)CCn1cnnn1)[C@@H](C)Nc1ccc(C#N)nn1 1113123709 BVQHMOIQDSATEV-NXEZZACHSA-N 315.341 -0.270 30 20 DBED COCC#CCN1CCN(C(=O)CCc2cnn(C)n2)CC1 1113349469 YBVUBKBBIRHMGD-UHFFFAOYSA-N 305.382 -0.458 30 20 DBED CNC(=O)NCC(=O)N[C@H](C)[C@H](C)Nc1cnc(C#N)cn1 1113350434 UDWUUFGGAJHTJR-DTWKUNHWSA-N 305.342 -0.418 30 20 DBED Cc1ccc(C#N)c(N(C)[C@@H](C)CNC(=O)[C@H]2CNC(=O)N2)n1 1113870545 YZKXQXACPGWCIH-CMPLNLGQSA-N 316.365 -0.116 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@H]2CN(Cc3cccnc3)C[C@H]12 1114158175 QZBNXYCEAZNILI-KBPBESRZSA-N 312.373 -0.233 30 20 DBED CCn1nncc1C(=O)NC1[C@H]2CN(CC#CCOC)C[C@H]12 1114225933 CYUTWAMVGBRPBE-RYUDHWBXSA-N 303.366 -0.392 30 20 DBED C#CCNC1(CNC(=O)CN2CCOCC2=O)CCCCC1 1115574573 DIRVYNJJPRSIDY-UHFFFAOYSA-N 307.394 -0.113 30 20 DBED C#CCNC(=O)CC(=O)N(C)C[C@H](C)N=c1cc[nH]cc1C#N 1115686069 XYVXCYRPOJZTDW-LBPRGKRZSA-N 313.361 -0.227 30 20 DBED C[C@@H](CN(C)C(=O)COCCN(C)C)N=c1cc[nH]c(C#N)n1 1115779467 MNIWEQKJTVWSBP-LBPRGKRZSA-N 320.397 -0.393 30 20 DBED C#CCOCCNC(=O)C(=O)NC1CCN(CC2CC2)CC1 1117040450 UOTOZMKAUZTUPM-UHFFFAOYSA-N 307.394 -0.257 30 20 DBED C=C(C)CN(CC)C(=O)C(=O)NC1CCN(CC(=O)NC)CC1 1117048718 ZKPRIHMYOALSJZ-UHFFFAOYSA-N 324.425 -0.262 30 20 DBED N#CCNC(=O)CNC(=O)N1CCC([C@H](O)C(F)(F)F)CC1 1117432073 QXXPYGVPDOPKKW-JTQLQIEISA-N 322.287 -0.029 30 20 DBED C=CCOCCNC(=O)C(=O)N[C@H]1CCN(C(C)(C)C)C1=O 1118564637 CXZCMZOBYFMQSA-NSHDSACASA-N 311.382 -0.179 30 20 DBED C[C@@]1(C#N)CCCN(C(=O)C(=O)NCCCn2cncn2)C1 1119067502 HQQRFLYFLIGHEU-AWEZNQCLSA-N 304.354 -0.063 30 20 DBED C=CCCOCCn1nnnc1N1CC(=O)N(CCOC)C1 1120180861 PIDYILOKMJKOMU-UHFFFAOYSA-N 310.358 -0.482 30 20 DBED CNC(=O)NCC(=O)N(C)C[C@@H](C)N=c1cc[nH]cc1C#N 1120817079 IMXGCGBIBASGLC-SNVBAGLBSA-N 304.354 -0.437 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H](CO)CNC(=O)C1=COCCO1 1121004284 RITVZYRROCSNOV-LLVKDONJSA-N 304.306 -0.848 30 20 DBED CN1CCO[C@H](C(=O)NC[C@H](CO)Nc2ncccc2C#N)C1 1121250008 LLHMPMOROUNMFP-OLZOCXBDSA-N 319.365 -0.827 30 20 DBED Cc1nsc(N[C@@H](CO)CNC(=O)c2cnnn2C)c1C#N 1121383535 BSLPWLHXGXTRMF-MRVPVSSYSA-N 321.366 -0.346 30 20 DBED Cc1[nH]nc(C(=O)NC[C@@H](CO)N=c2cc[nH]cc2C#N)c1O 1121454600 LDDPXOGAZQINRJ-JTQLQIEISA-N 316.321 -0.685 30 20 DBED Cc1[nH]nc(C(=O)NC[C@H](CO)N=c2cc[nH]cc2C#N)c1O 1121454601 LDDPXOGAZQINRJ-SNVBAGLBSA-N 316.321 -0.685 30 20 DBED CO[C@H](C(=O)NC[C@H](CO)N=c1cc[nH]cc1C#N)C1CC1 1121505438 LQIKVXLBOJULPP-OCCSQVGLSA-N 304.350 -0.311 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]cc1C#N)C(=O)Cc1cc[nH]n1 1124185427 OGGFIISZOOELIM-ZDUSSCGKSA-N 314.349 -0.428 30 20 DBED Cc1nocc1C(=O)N(C)C[C@H](O)CN=c1cc[nH]c(C#N)n1 1124695012 ULWKJCMCPOIPJH-SNVBAGLBSA-N 316.321 -0.388 30 20 DBED C#CCNC(=O)CNCCNC(=O)Cc1cn2c(n1)CCCC2 1127786004 ULSXPQUOGOMVHC-UHFFFAOYSA-N 317.393 -0.783 30 20 DBED C[C@@H](Oc1ccccc1F)C(=O)NCCNCC(=O)NCC#N 1127992014 ARPGFEVLBLZRKJ-LLVKDONJSA-N 322.340 -0.061 30 20 DBED C#CCN[C@@H]1CN(C(=O)CCOCC#C)C[C@@H]1n1ccnn1 1129846524 ZLQUIEKZRLPUDV-KGLIPLIRSA-N 301.350 -0.707 30 20 DBED C#CCCN[C@@H]1CN(C(=O)CC(=O)NC)C[C@H]1c1cn(C)cn1 1130571890 OUWNKTHYIFXFFP-GXTWGEPZSA-N 317.393 -0.537 30 20 DBED CC#CCN1CCOC[C@H]1c1n[nH]c(CNC(=O)[C@H](C)C#N)n1 1130839230 KDGGHEMRYVHWLF-NEPJUHHUSA-N 316.365 -0.023 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@@H](NC(C)=O)C1CCCC1 1131082850 COJXLPAWHVZJQG-HNNXBMFYSA-N 322.409 -0.864 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)[C@@]12CCC[C@@H]1C2 1131552851 CAZCOXCKWSQTTO-IAQYHMDHSA-N 308.382 -0.106 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)C[C@@H](C)n1ccc(C)n1 1132308248 AANXOLDHXZAJES-ZIAGYGMSSA-N 319.409 -0.014 30 20 DBED C[C@@H]1CC[C@H](NC(=O)CCCC(N)=O)CN1CC(=O)NCC#N 1132536540 CDBVKLRWCBZMCA-NEPJUHHUSA-N 323.397 -0.749 30 20 DBED C[C@H]1CCN(C(=O)C(F)F)C[C@H]1CNCC(=O)NCC#N 1132573061 WQRCSUPUHVSOIB-VHSXEESVSA-N 302.325 -0.035 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@H]1C[C@@H](C)Cc2c[nH]nc21 1132832871 ZRXYVINSSCILEQ-AAEUAGOBSA-N 317.393 -0.469 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)CCCN(C)C 1133040256 IEWJXDMPPSNWLP-UHFFFAOYSA-N 313.402 -0.954 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1 1134129394 IZDKYHZRGLTQDT-FPMFFAJLSA-N 317.393 -0.633 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)CCCC(=O)NC 1134131280 TXOYIESRXYHFIS-QWHCGFSZSA-N 324.425 -0.475 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)c1cnn(CC)n1 1134266008 RXEQPTGRAAGGTJ-NEPJUHHUSA-N 320.397 -0.466 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1scnc1COC 1135004358 IEUATOMSTWTWIK-JTQLQIEISA-N 324.406 -0.253 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)C[C@@H]1CCOC1)C2 1147269207 ZUYZSCPVUCLVCU-AWEZNQCLSA-N 319.405 -0.303 30 20 DBED C#CCCN1CCCO[C@H](CNC(=O)CN2C(=O)CCC2=O)C1 1150685592 OUPFJJWQXNORAV-CYBMUJFWSA-N 321.377 -0.634 30 20 DBED CCN(CC#CCOC)[C@H](C)CNC(=O)[C@@H]1CN(C)CCO1 1152620449 MVBOSMIEZNSMKC-CABCVRRESA-N 311.426 -0.207 30 20 DBED C=C(Br)CNCCNC(=O)c1cn(C)c(=O)n1C 1152691232 ITYIMOHXMJMTKY-UHFFFAOYSA-N 317.187 -0.048 30 20 DBED C=CCCOCC(=O)NCCN[C@@H](C)C(=O)NC(=O)NC 1153091469 PQIORDCTVYEMJQ-JTQLQIEISA-N 300.359 -0.871 30 20 DBED C=CCNC(=O)CN(CC)[C@H](C)CNC(=O)c1cn(C)nn1 1153133335 IHQYVZCKNDQXPQ-LLVKDONJSA-N 308.386 -0.443 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1csc(C2CC2)n1 1153403505 ZQXIGZBFEXQHLK-UHFFFAOYSA-N 307.379 -0.020 30 20 DBED CCN(CC#N)[C@H](C)CNC(=O)CN1CCCCS1(=O)=O 1154332260 ODIYBNUEOMATSC-GFCCVEGCSA-N 316.427 -0.238 30 20 DBED C#CCCN(CC)[C@H](C)CNC(=O)CC[C@H]1NC(=O)NC1=O 1156797044 ABSXAJKSETWWKA-VXGBXAGGSA-N 308.382 -0.176 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)[C@@H]1CCN(C)C1=O 1164295390 NNGCXYDUWBNNGO-NEPJUHHUSA-N 310.398 -0.749 30 20 DBED C[C@@H]1C[C@@H](C(=O)NCCC2(CNCC(=O)NCC#N)CC2)CO1 1165834626 BULJDAQXWPGNGU-CHWSQXEVSA-N 322.409 -0.073 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCCCN[C@H](C)c1nnnn1C 1166986402 GZGGKZKBKPVDQT-UTUOFQBUSA-N 308.386 -0.042 30 20 DBED C=CCN(CC=C)C(=O)CNCCCNC(=O)c1nc[nH]n1 1168772917 ZABOXTKHGPGVKO-UHFFFAOYSA-N 306.370 -0.285 30 20 DBED CC(C)CC(=O)N1CC[C@H]2OCCN(CC(=O)NCC#N)[C@@H]2C1 1176886866 GDFZYXJOWRGRHD-ZIAGYGMSSA-N 322.409 -0.026 30 20 DBED N#CCN1CCO[C@H]2CCN(C(=O)C(=O)NCC3CC3)C[C@H]21 1177125076 NAHQNJRUOMFPOV-OLZOCXBDSA-N 306.366 -0.662 30 20 DBED C[C@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)CCCN(C)C 1179435289 PCMFQJSOUUMQHD-STQMWFEESA-N 309.414 -0.453 30 20 DBED COCC#CCN[C@H]1CCN(C(=O)CCc2cnn(C)n2)[C@H]1C 1179544002 OXYMJLZXLGKZEX-ZFWWWQNUSA-N 319.409 -0.024 30 20 DBED CN1CCC[C@@H]1CCC(=O)N1CC[C@@H](NCC(=O)NCC#N)C1 1183390167 IRYFHRKMZWLEHU-ZIAGYGMSSA-N 321.425 -0.309 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)Cn2ccnc2)C1 1188375688 KFBAUUTZWCJOSI-CHWSQXEVSA-N 303.366 -0.789 30 20 DBED C=CCNC(=O)NC(=O)CN(C)[C@@H]1CCN(C(=O)[C@H](C)C#N)C1 1189390690 TTYXUOJBERNVOI-VXGBXAGGSA-N 321.381 -0.309 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2nnn(C)c2C)C1 1189500530 UWCKCAOMPBIBND-LBPRGKRZSA-N 318.381 -0.981 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](N(C)Cc2csnn2)C1 1189759622 AOGVPIPUOPDBCY-LBPRGKRZSA-N 321.406 -0.290 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CN(CCn2cc(Cl)cn2)C[C@H]1O 1191872232 GFVOSHUNJINQPD-MVWJERBFSA-N 311.773 -0.143 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2ccn(C)n2)C[C@H]1O 1192886706 XCTRJNDUPXEDIO-ZIAGYGMSSA-N 306.366 -0.879 30 20 DBED COC[C@@H](C)CC(=O)N1CC[C@H](N(C)CC(=O)NCC#N)C1 1193157977 YPEXSLXPGXKHIE-STQMWFEESA-N 310.398 -0.169 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)CCCCC(N)=O)C1 1193339753 PQKSFGWUQFJEBG-ZDUSSCGKSA-N 324.425 -0.133 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)[C@@H]2CCN(C)C2)C1 1194001996 MFNOOOLQTFVQFT-ZIAGYGMSSA-N 306.410 -0.780 30 20 DBED CC1(C)CC[C@@H](C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@H]2O)C1 1196038604 WJPJMQLQKFTASM-JHJVBQTASA-N 322.409 -0.386 30 20 DBED C#CCCNC[C@H]1CN(C(=O)CS(C)(=O)=O)CCCO1 1199998234 FKVSQYHPSVMXBY-LBPRGKRZSA-N 302.396 -0.739 30 20 DBED CC#CCNC[C@H]1CN(C(=O)[C@H]2COCCN2C)CCCO1 1200313510 YSJCIWFNERNBSM-LSDHHAIUSA-N 309.410 -0.453 30 20 DBED C=C(C)CNC[C@H]1CN(C(=O)c2nnc(O)nc2O)CCCO1 1200894842 QODNVPXMQGKJFY-JTQLQIEISA-N 323.353 -0.320 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)Cn2ccnc2)CCCO1 1202216943 LAFJLECKROPTAU-OAHLLOKOSA-N 320.393 -0.260 30 20 DBED CC(C)C#CC(=O)N[C@H]1C[C@@H](NCC(=O)NC(N)=O)C12CCC2 1202878048 QEUFVLPODNLDQJ-NEPJUHHUSA-N 320.393 -0.142 30 20 DBED COCC#CCNC1CCN(C(=O)C[C@@H]2CCC(=O)N2)CC1 1202896319 QFZJMRWCKSVPPE-AWEZNQCLSA-N 307.394 -0.115 30 20 DBED N#CCNC(=O)CN[C@H]1C[C@H]2CC[C@H]1N(C(=O)c1nc[nH]n1)C2 1204805428 JEDWPHCXUAYTIZ-OUAUKWLOSA-N 317.353 -0.973 30 20 DBED COCCCCC(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1206495576 VGNRRPWBSYNTNK-CHWSQXEVSA-N 310.398 -0.121 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)C2=COCCO2)C1 1207141755 BKMJQAZGVFCGGS-GFCCVEGCSA-N 309.366 -0.243 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCN(C(=O)Cc2cccnc2)C1 1207796121 PICICFTXZKDOMX-CQSZACIVSA-N 315.377 -0.156 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)c2cnn(CC)n2)C1 1207979190 KOANIFPXWORQLB-GFCCVEGCSA-N 320.397 -0.206 30 20 DBED C#CCCN1C[C@@H](NC(=O)[C@@]2(COC)CCOC2)[C@H](OC)C1 1213226472 QNVABCXJYAQSBW-IIAWOOMASA-N 310.394 -0.122 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](NCCCCOC)[C@H](C)C1 1214474032 XFPNQYUXJXAPMR-ZIAGYGMSSA-N 309.410 -0.011 30 20 DBED Cc1ncn(C)c1C(=O)N1C[C@@H](NCC(=O)NCC#N)[C@H](C)C1 1214904892 OZBBFGXQIFXKMB-ZYHUDNBSSA-N 318.381 -0.582 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)C23CCN(CC2)C3)C[C@H]1C 1216405236 IXCZPVHAFHFLLA-ZIAGYGMSSA-N 318.421 -0.732 30 20 DBED COC[C@@H](O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)C#CC(C)C 1217852127 CQIYPQBTPPHGPX-SOUVJXGZSA-N 310.394 -0.435 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2cnn(C)c2)C[C@@H]1O 1219605387 QQJUQNRXSBHMDS-YUTCNCBUSA-N 306.366 -0.880 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)CC(C)(C)CC)C1 1219693636 MQSODEICRKQOMN-OLZOCXBDSA-N 309.410 -0.277 30 20 DBED C=CC(C)(C)CC(=O)N[C@@H]1CN(Cc2nc(O)n[nH]2)C[C@@H]1O 1219706569 DYFJRCORIKQWRD-ZJUUUORDSA-N 309.370 -0.226 30 20 DBED CCC(CC)[C@@H](C)C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@@H]1O 1219915492 MNNWAIXJPHMZEK-BNOWGMLFSA-N 324.425 -0.140 30 20 DBED CCCn1cc(C(=O)N[C@@H]2CN(CC#CCOC)C[C@@H]2O)cn1 1220439271 QBOXYMPIVTZCAP-CABCVRRESA-N 320.393 -0.282 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)[C@@H]3CCN(C)C3)[C@@H]2C1 1222014195 VVOGNKAGAWXIQE-RBSFLKMASA-N 318.421 -0.780 30 20 DBED CCOCCC(=O)N1CC[C@H]2CCN(CC(=O)NCC#N)[C@H]2C1 1222416499 PWKHNRGXBMPWNW-KGLIPLIRSA-N 322.409 -0.024 30 20 DBED C=CCOCC(=O)NC1CCN(CCN2C(=O)CCC2=O)CC1 1226571737 YGRNBKWQDSWDIS-UHFFFAOYSA-N 323.393 -0.081 30 20 DBED C[C@@H]1CCCN1CC(=O)NC1CCN(CC(=O)NCC#N)CC1 1229186745 ZNWGGPVUTPZHGR-CYBMUJFWSA-N 321.425 -0.309 30 20 DBED C=C(C)CN1CCS(=O)(=O)[C@H](CCNC(=O)COC)C1 1230396504 OSAXRSYILXQQBU-GFCCVEGCSA-N 304.412 -0.186 30 20 DBED N#CC1CCN(C(=O)C(=O)N2CC[C@@H]3COC(=O)N[C@H]3C2)CC1 1261485394 ZFUHTMBNRZJJMJ-NEPJUHHUSA-N 320.349 -0.295 30 20 DBED CCONC(=O)CNC(=O)C(=O)N(C)Cc1cccc(C#N)c1 1261543157 GAOHUZYAYTXTME-UHFFFAOYSA-N 318.333 -0.299 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)Cc2ccn(CC)n2)C1 1266527426 RWGHDMXCSOOQIM-AWEZNQCLSA-N 317.393 -0.615 30 20 DBED CCOCCS(=O)(=O)NCCN/C(O)=C1/N=CC=CC1=O 1318643991 MHEGEONDWPFREE-QXMHVHEDSA-N 317.367 -0.531 30 20 DBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCc1nnc(C)n1C 1322021540 SICTZPRICNNEAD-AAEUAGOBSA-N 321.381 -0.163 30 20 DBED CN(C1CCN(S(=O)(=O)CCCC#N)CC1)S(C)(=O)=O 1322710485 IRGPKSLAXUYVOU-UHFFFAOYSA-N 323.440 -0.024 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N1CCC(OCCOC)CC1 1323527476 GMPSUUIWTVTJDQ-LBPRGKRZSA-N 314.382 -0.042 30 20 DBED CCNC(=O)CN1CCN(CC(=O)NC2(C#N)CCC2)CC1 1324492197 SJSBFETWSXWBQO-UHFFFAOYSA-N 307.398 -0.697 30 20 DBED N#Cc1ccsc1NC(=O)C(=O)NCCN1C(=O)CNC1=O 1324951698 IXMWRXSNSDAMSP-UHFFFAOYSA-N 321.318 -0.774 30 20 DBED C=C(C)COCCNC(=O)C(=O)NC[C@H]1COC(C)(C)O1 1325529562 GOYYRTIHTZVNNF-NSHDSACASA-N 300.355 -0.037 30 20 DBED CC(C)O[C@@H]1CCN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)C1 1326229918 NDTHJDKIXURIBA-DOMZBBRYSA-N 309.366 -0.111 30 20 DBED CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)C1 1326529104 GFCFNWJHIGQGDE-IUODEOHRSA-N 308.382 -0.584 30 20 DBED CN(Cc1cccc(C#N)c1)C(=O)C(=O)NCc1nnn(C)n1 1329079921 HUOWNVZISCIZMW-UHFFFAOYSA-N 313.321 -0.643 30 20 DBED O=C(CCN/C(O)=C1\N=CC=CC1=O)OCCN1CCOC1=O 1336960904 JHFBRFJYBMXJCK-OUKQBFOZSA-N 323.305 -0.102 30 20 DBED C#CCNC(=O)C1CCN(c2nnc(CCO)n2CC=C)CC1 1340600568 PAEXQXORWVEBJB-UHFFFAOYSA-N 317.393 -0.035 30 20 DBED C#CCOCCNC(=O)NCCCN1C(=O)NC(C)(C)C1=O 1341925681 XTJSYTLPZUNOGU-UHFFFAOYSA-N 310.354 -0.344 30 20 DBED N#Cc1ccc(CNC(=O)CCCN2C(=O)CNC2=O)nc1 1343747615 DEZUVQKIZYHUNO-UHFFFAOYSA-N 301.306 -0.099 30 20 DBED C#CCOCCN(C)C(=O)[C@@H]1CCCN1C(=O)CNC(C)=O 1348890254 DNDZZQUJNJWINJ-ZDUSSCGKSA-N 309.366 -0.778 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CCO[C@@H](CC)C2)nn1 1349046632 VLKAXCIEFBQIMZ-LBPRGKRZSA-N 307.354 -0.282 30 20 DBED N#Cc1ccc(N2CCN(C(=O)Cn3cnc(N)n3)CC2)cn1 1363334857 NJTJTWLBPDIHRP-UHFFFAOYSA-N 312.337 -0.524 30 20 DBED COc1cc(NC(=O)Cn2cc(C#N)c(O)nc2=O)ccn1 1363381710 OIJIBRPLPUNDKN-UHFFFAOYSA-N 301.262 -0.137 30 20 DBED COCCN(CCNC(=O)[C@H](C)C#N)C(=O)c1cnnn1C 1371151740 VPJANIPSOJMANK-SNVBAGLBSA-N 308.342 -0.820 30 20 DBED CCc1noc(COCC(=O)NC[C@@H](C)NC(=O)[C@H](C)C#N)n1 1377278966 YSDYMRUUZRHEEJ-NXEZZACHSA-N 323.353 -0.071 30 20 DBED C=C(Cl)CNC[C@H](O)CNC(=O)Cc1nc2ncccn2n1 1379286880 LBNLHBDYWBBFSI-JTQLQIEISA-N 324.772 -0.514 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CN(C)C(=O)c1csc(O)n1 1383064405 PCRYHBMRLQCYBX-HTQZYQBOSA-N 312.351 -0.443 30 20 DBED COCCN(CCNC(=O)c1ccnn1C)C(=O)[C@H](C)C#N 1384391241 PGYGLXQKXANESM-LLVKDONJSA-N 307.354 -0.215 30 20 DBED CCCS(=O)(=O)CC(=O)N1CC[C@@H](NC(=O)[C@@H](C)C#N)C1 1385309603 JWYOHLGOSSRATF-WDEREUQCSA-N 315.395 -0.312 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C(=O)c1ccc(C(N)=O)[nH]1)C1CC1 1388679211 TVUJLJWMGHEQEZ-VIFPVBQESA-N 317.349 -0.006 30 20 DBED C=C(Cl)CN1CCO[C@@H](CNC(=O)CNC(=O)OC)C1 1391981198 XQLXRHOSEISLOW-JTQLQIEISA-N 305.762 -0.088 30 20 DBED CNC(=O)NCC(=O)N(C)C[C@H](C)NC(=O)c1c[nH]c(C#N)c1 1395591490 AXZWFFNANAXODJ-VIFPVBQESA-N 320.353 -0.608 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)CCc1cscn1 1399873457 ZERPKIFBINFKCT-MWLCHTKSSA-N 310.379 -0.171 30 20 DBED C[C@@H](CN(C)C(=O)CN1CCC(=O)NC1=O)NC(=O)[C@@H](C)C#N 1405173412 QWQAUROSPUOAEU-UWVGGRQHSA-N 323.353 -0.949 30 20 DBED C[C@H](C#N)C(=O)N1CCN(CCNC(=O)CC(C)(C)O)CC1 1407427686 JBJGTOVSDJFPDH-GFCCVEGCSA-N 310.398 -0.433 30 20 DBED CCCN(C(=O)Cn1cnnn1)[C@@H]1CCN(C(=O)[C@H](C)C#N)C1 1408963913 BOAYVLAKGGRMJE-VXGBXAGGSA-N 319.369 -0.328 30 20 DBED C[C@@H](CN(C)C(=O)c1ccc2nnnn2c1)NC(=O)[C@@H](C)C#N 1412617987 OQBNYRLASWYOBZ-UWVGGRQHSA-N 315.337 -0.139 30 20 DBED N#Cc1ncn(CCNC(=O)N[C@@H]2CCO[C@@]3(CCOC3)C2)n1 1414587921 WWYNHGLFUMTZGG-RISCZKNCSA-N 320.353 -0.213 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H](C)CNC(=O)CN(C)C(=O)C1CC1 1424191478 ZFLLXKNGQSRRGD-WDEREUQCSA-N 308.382 -0.022 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(C1)CN(C(=O)C1(NC(N)=O)CC1)C2 1428593461 JGPGGQNPJNKEKS-JTQLQIEISA-N 319.365 -0.592 30 20 DBED C[C@@H](C#N)C(=O)NC[C@](C)(NC(=O)c1c[nH]c(=O)cn1)C1CC1 1432891951 ZUUTZIFANPCSFK-VFZGTOFNSA-N 317.349 -0.056 30 20 DBED COC(=O)[C@@H](NS(=O)(=O)c1ccccc1CC#N)[C@@H](C)O 1434615556 GBEZVVLSIYNLRV-SKDRFNHKSA-N 312.347 -0.047 30 20 DBED Cc1c(C(=O)N2CC[C@H](CNC(=O)[C@H](C)C#N)C2)nnn1C 1448265571 QQJRGNCDLDXQID-MWLCHTKSSA-N 304.354 -0.139 30 20 DBED C#CCOCCN(C)C(=O)CN1C(=O)C(=O)N(CC=C)C1=O 1522888073 HPYRNDVCVZCOJL-UHFFFAOYSA-N 307.306 -0.929 30 20 DBED CNC(=O)[C@@H]1CCC[C@H]1Nc1cnc(C#N)c(-c2nn[nH]n2)n1 1579386254 FOVRMEHQGIEMSO-HTQZYQBOSA-N 313.325 -0.145 30 20 DBED C#CCO[C@@H](C)C(=O)NCC[C@H](C)N=c1cc[nH]c(C(=O)O)n1 1588490427 MOIJREOQEXEBKR-QWRGUYRKSA-N 320.349 -0.058 30 20 DBED C#CCO[C@@H](C)C(=O)NCCN(C)c1ncc(C(=O)O)cn1 1588490644 SSWZWAMQBWNLCY-JTQLQIEISA-N 306.322 -0.235 30 20 DBED C=CCNC(=O)CN[C@H]1C[C@H](CNC(=O)[C@H]2C[C@@H]2C(=O)O)C1 1588844691 OZPIRNFFWNIOLW-BJDJZHNGSA-N 309.366 -0.506 30 20 DBED Cn1c(N2CCC(C#N)CC2)c(-c2nn[nH]n2)c(=O)n(C)c1=O 1592553922 ZMZLAHCOZLGENP-UHFFFAOYSA-N 316.325 -0.996 30 20 DBED COCC#CCN1CCC(CO)(NC(=O)[C@H]2C[C@H]2C(=O)O)CC1 1599139758 YFLVERISEOAIJE-QWHCGFSZSA-N 324.377 -0.700 30 20 DBED C#CCSCCn1nnnc1N1CC[C@@](OC)(C(=O)O)C1 1602738009 DYVCAMLINRCEJK-LBPRGKRZSA-N 311.367 -0.281 30 20 DBED N#Cc1ncc(N2CCN(c3ncc[nH]3)CC2)nc1-c1nn[nH]n1 1606396985 GCJRQLIQKDICGN-UHFFFAOYSA-N 323.324 -0.422 30 20 DBED COC[C@]1(CO)CCN(S(=O)(=O)N(C)C[C@@H](C)C#N)C1 1645929041 WIFIZWVQAXNKQY-NWDGAFQWSA-N 305.400 -0.347 30 20 DBED COCCn1nnnc1N1CCN(c2ccc(C#N)cn2)CC1 1647439381 NTGMOMCUMCFXDP-UHFFFAOYSA-N 314.353 -0.087 30 20 DBED C#CCN[C@H](CNC(=O)CN1CCCCS1(=O)=O)C1CC1 1752474066 OOBDBCXBTWSEAG-CYBMUJFWSA-N 313.423 -0.470 30 20 DBED COCC#CCNC[C@@H]1CCCN(C(=O)Cc2nc[nH]n2)C1 1752809068 BDPVBBXULDUWOX-ZDUSSCGKSA-N 305.382 -0.175 30 20 DBED C#CCNC(=O)CN(C)CCNC(=O)[C@H]1CC12CCOCC2 1753076571 NLHYNMMMINULRL-CYBMUJFWSA-N 307.394 -0.400 30 20 DBED COCC#CCNCCN(C)C(=O)c1cnn(CCN(C)C)c1 1753240502 VIGOSDQXYOHEIE-UHFFFAOYSA-N 321.425 -0.244 30 20 DBED C#CCN1CC[C@H](N(CC)C(=O)CN2CC(=O)N(C)C2=O)C1 1753459341 OZBMEYOXKVSKBE-LBPRGKRZSA-N 306.366 -0.564 30 20 DBED CN(C(=O)CCc1ccco1)C1CN(CC(=O)NCC#N)C1 1754569788 VCDAJALWLSLICI-UHFFFAOYSA-N 304.350 -0.005 30 20 DBED CN(C(=O)/C=C\c1ccc[nH]1)C1CN(CC(=O)NCC#N)C1 1754574463 SVMSKXSTTXEKOX-PLNGDYQASA-N 301.350 -0.190 30 20 DBED C#CCNC(=O)CNC[C@@H]1CCCN1C(=O)c1snnc1C 1754605569 HRRUSFDFCDNCFF-NSHDSACASA-N 321.406 -0.210 30 20 DBED C[C@]1(NC(=O)C#CC2CC2)CCN(CC(=O)N2CCOCC2)C1 1754670342 NYOHUHKXTPVQRC-KRWDZBQOSA-N 319.405 -0.161 30 20 DBED C=C(C)CN1CC(O)(CNC(=O)Cc2nc3ncccn3n2)C1 1754778467 AVAYVQQUNNIIMK-UHFFFAOYSA-N 316.365 -0.594 30 20 DBED C#CCCN1CCC[C@](CO)(NC(=O)CN2C(=O)CCC2=O)C1 1754862134 QMJMKVHFSSXAJI-INIZCTEOSA-N 321.377 -0.898 30 20 DBED Cc1cc(C(=O)NC[C@@H]2COCCN2CC(=O)NCC#N)co1 1754966079 RYNYJVMFCKSBDX-CYBMUJFWSA-N 320.349 -0.342 30 20 DBED C#CCN(C)CCCN(C)C(=O)c1c[nH]nc1S(N)(=O)=O 1755042050 SJVYALFVYKAQGF-UHFFFAOYSA-N 313.383 -0.916 30 20 DBED C#CCCN1CC([C@H](C)NC(=O)CN(C)S(=O)(=O)CC)C1 1755389510 YBKOFPRQCLELKF-LBPRGKRZSA-N 315.439 -0.272 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H](C)CN(C)C(=O)Cc1ccn(C)n1 1755585855 CVJWDEAGOYKXDI-CHWSQXEVSA-N 319.409 -0.463 30 20 DBED C=CCNC(=O)CN[C@@H](CO)CNC(=O)[C@H]1Cc2ccccc21 1755637366 YUAQZMGDBGCBHY-HIFRSBDPSA-N 317.389 -0.305 30 20 DBED C=CCNC(=O)CN[C@H]1C[C@@H](C)N(C(=O)CN2CCCC2)C1 1755695328 YKRMOTXKGLERHW-KGLIPLIRSA-N 308.426 -0.037 30 20 DBED CC#CCNC[C@@H](O)CN(C)C(=O)c1c(C)c(C)nn(C)c1=O 1755784831 SGFVIDFUEMDPGC-CYBMUJFWSA-N 320.393 -0.557 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C[C@H](C)NC(=O)c1cc(=O)n(C)o1 1756453281 LJPOGPCNMJRKSX-WDEREUQCSA-N 323.349 -0.407 30 20 DBED Cc1cncc(C(=O)N[C@H](CO)CNC(=O)CSCC#N)c1 1756504097 VQJGBMOHMAJBPN-LBPRGKRZSA-N 322.390 -0.146 30 20 DBED C=C[C@H](CC)CC(=O)NC[C@H](CO)NC(=O)c1nnn(C)c1C 1756544405 ZZLHVPGYZMUKRJ-VXGBXAGGSA-N 323.397 -0.067 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(C(=O)C2(NC(N)=O)CC2)[C@@H]1C 1756560404 OIRHGMJAARVGBI-GHMZBOCLSA-N 324.381 -0.505 30 20 DBED Cn1nc(C(=O)O)cc1C=NN=c1nc2[nH][nH]cc-2c(O)n1 1776042307 CJGNANFILMUUFW-UHFFFAOYSA-N 302.254 -0.690 30 20 DBED COCCn1cc(S(=O)(=O)N[C@@H](CCC#N)C(=O)O)cn1 1777228098 NKCDTKDHEAVQRQ-JTQLQIEISA-N 316.339 -0.435 30 20 DBED C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782015721 WCFYBPDLHOONFH-MLGOLLRUSA-N 318.329 -0.779 30 20 DBED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCCO3)[C@H]2C1 1791035660 RHWJHTDNGCQNJL-XUXIUFHCSA-N 306.362 -0.222 30 20 DBED N#CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cn1ccnn1)C2 1795461342 XHCRJZSTUWWHEB-ZSBIGDGJSA-N 302.338 -0.170 30 20 DBED C[C@@H](S)C(=O)N1CCC2(CCCN(C(=O)C(O)O)C2)CC1 1805285957 TUZCXSKCYSZXCT-SNVBAGLBSA-N 316.423 -0.153 30 20 DBED C#CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C(=O)N(C)C)CC2 1825015575 SDIXQOSRUYMTPD-QMMMGPOBSA-N 320.374 -0.224 30 20 DBED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)/C(C)=C/OC)CCO2 1837266123 SVVSCHMGDDBZJY-LRFDDAOPSA-N 322.361 -0.374 30 20 DBED C[C@@](O)(CC(=O)O)CC(=O)N1CCCC12CN(C(=O)CC#N)C2 1846380081 MMYAQGFQQPNVJG-AWEZNQCLSA-N 323.349 -0.281 30 20 DBED C#CCN(CC1CC1)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O 157740872 QGGLSOQAVDOTJP-UHFFFAOYSA-N 311.363 -0.882 30 20 DBED N#Cc1cccc(CN2CCN(CCS(N)(=O)=O)CC2)c1 174939713 DAJIWVNEGVCRIC-UHFFFAOYSA-N 308.407 -0.036 30 20 DBED Cn1cnc2c1c(=O)n(CC(=O)OCCCC#N)c(=O)n2C 192455845 XDEAJQVFSCBMAR-UHFFFAOYSA-N 305.294 -0.719 30 20 DBED CC[C@H](C#N)NC(=O)[C@H](C)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 270253383 GFHXTFAZECKVHQ-VQJPJQAJSA-N 305.334 -0.044 30 20 DBED C=CCNC(=O)CNC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O 271981617 NFQUOLABIHPMNK-QWRGUYRKSA-N 307.350 -0.420 30 20 DBED C=CCC[C@H](O)CN1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 276500074 WCOUGUAGSPKSPL-LBPRGKRZSA-N 323.397 -0.724 30 20 DBED CC(=O)N[C@@H](C(=O)NCCn1cnc(C#N)n1)C1CCCC1 286094546 ANZIAPSPAOSPFW-CYBMUJFWSA-N 304.354 -0.039 30 20 DBED COCCN1CN(S(=O)(=O)c2cncc(C#N)c2)CC1=O 290126532 LDSDGAKIXKFMSM-UHFFFAOYSA-N 310.335 -0.610 30 20 DBED C=CCOCCN1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 294766760 YVBWBYDDNNDSPD-UHFFFAOYSA-N 309.370 -0.849 30 20 DBED O=S1(=O)C[C@H](/N=C(/O)[C@H]2CCCO2)[C@@H](N2CCOCC2)C1 328787618 PBBHZAWOFKNYDD-SDDRHHMPSA-N 318.395 -0.380 30 20 DBED CN1CCO[C@H](CN/C(O)=N/CCC2(O)CCOCC2)C1 329290560 QQRPJZLBHSMHTK-GFCCVEGCSA-N 301.387 -0.248 30 20 DBED CN1CCO[C@@H](C/N=C(/O)N2CC(=O)N(CC(F)(F)F)C2)C1 330111915 BLYJUXWLFKQHSA-VIFPVBQESA-N 324.303 -0.105 30 20 DBED C/C(O)=N/[C@@H]1CCCN(C(=O)CN2C[C@@H]3OCCN(C)[C@@H]3C2)C1 330309400 UDXLRISTCVEKGS-KFWWJZLASA-N 324.425 -0.031 30 20 DBED CN(C)C1CCN(CC/N=C(/O)N[C@@H]2CCCNC2=O)CC1 330489208 LOCXGPIWQMNUSU-CYBMUJFWSA-N 311.430 -0.205 30 20 DBED N#Cc1cccc(S(=O)(=O)N2CCN(C(=O)CO)CC2)c1 330654789 KDUMLMFRBCUFNU-UHFFFAOYSA-N 309.347 -0.617 30 20 DBED C[C@@H]1CN(C(=O)CNC(=O)c2ccc(C#N)cc2)C[C@@H](CO)O1 330969177 MDKQILIGBQSWHY-RISCZKNCSA-N 317.345 -0.104 30 20 DBED CN1CCC(N(C)S(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 336895954 NAXNHEHOKVXTKG-LBPRGKRZSA-N 302.400 -0.518 30 20 DBED COC(=O)[C@H]1CN(C(=O)CNc2ccc(C#N)cn2)C[C@@H](C)O1 338370082 DOYLEAGVULLRBS-ZYHUDNBSSA-N 318.333 0.154 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC2CCN(C)CC2)C1=O 339638753 PYBSOYABDPFVFE-ZDUSSCGKSA-N 322.409 -0.558 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)NC[C@H]2CCC[C@@H](CO)C2)CCO1 344958033 IIOIHBKUGLJEIH-YNEHKIRRSA-N 317.411 -0.156 30 20 DBED CN(C)C(=O)NCCN(C)S(=O)(=O)c1cncc(C#N)c1 352724066 DPXMHTHVUDFBDE-UHFFFAOYSA-N 311.367 -0.155 30 20 DBED CCN(CCCNC(=O)[C@H](N)CCCC#N)S(C)(=O)=O 424104306 SOICUXCWTXUTQE-LLVKDONJSA-N 304.416 -0.205 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](COC)C2CC2)C1=O 441572384 WRXYRRTVXOPLCY-SNVBAGLBSA-N 309.322 -0.496 30 20 DBED CO[C@@H](C)CS(=O)(=O)N(CCC#N)CCN1CCOCC1 442948734 VLSYJZSQTCEARN-ZDUSSCGKSA-N 319.427 -0.101 30 20 DBED C#CCNC(=O)C1CCN(C(=O)N[C@@H]2CCN(C)C2=O)CC1 491203521 XBRSVFKWPYWWAH-GFCCVEGCSA-N 306.366 -0.612 30 20 DBED C#C[C@@H](CCC)NC(=O)CNS(=O)(=O)c1cn(C)c(C)n1 491780686 MDDADXUNHXEWNI-NSHDSACASA-N 312.395 -0.075 30 20 DBED CCOC(=O)N1CCC(S(=O)(=O)O[C@H]2CNOC2)CC1 497222998 RKISTSMOUYOJJC-VIFPVBQESA-N 308.356 -0.143 30 20 DBED CC[C@H](CC#N)NCCn1cnc2c1c(=O)n(C)c(=O)n2C 516580605 LVZAMZRXIYDFMH-SNVBAGLBSA-N 304.354 -0.284 30 20 DBED Cn1cc(S(=O)(=O)NCCN2CC[C@](O)(CC#N)C2)cn1 592152631 ZDSCPOSQKDFSNJ-GFCCVEGCSA-N 313.383 -0.951 30 20 DBED COCCN(CCC#N)S(=O)(=O)NC1([C@@H](C)C(=O)O)CC1 593273358 ILEDEBWSRZTHRE-JTQLQIEISA-N 319.383 -0.064 30 20 DBED C=CCN(CCOC)C(=O)NCCNS(=O)(=O)N(C)C 665009811 PTEYEKOLIJWQKZ-UHFFFAOYSA-N 308.404 -0.774 30 20 DBED COCCNC(=O)[C@@H](C#N)C(=O)[C@H]1CC(=O)N(CC(C)C)C1 729070329 UHAYDFVHTYVQOU-RYUDHWBXSA-N 309.366 -0.038 30 20 DBED CNS(=O)(=O)c1ccc(C(=O)N(CC#N)CC(=O)O)o1 737558603 LGYZSEBCUBFZDY-UHFFFAOYSA-N 301.280 -0.762 30 20 DBED COc1cc(C#N)ccc1S(=O)(=O)NCCS(C)(=O)=O 766473075 IPEGCCPEISWZLU-UHFFFAOYSA-N 318.376 -0.110 30 20 DBED N#CCNC(=O)COC(=O)CCCNC(=O)c1cccnc1 772392243 SEZPIGSPKZXKSY-UHFFFAOYSA-N 304.306 -0.225 30 20 DBED C#C[C@H](NC(=O)NCCCN(C)S(C)(=O)=O)[C@H]1CCCO1 773232526 TUMWVYSVFVISBD-NWDGAFQWSA-N 317.411 -0.252 30 20 DBED N#Cc1ccc([C@H](O)CN2CCN3C(=O)NC(=O)[C@H]3C2)cc1 778954469 WZLXRYFNBXDKTQ-CHWSQXEVSA-N 300.318 -0.172 30 20 DBED C#CCNS(=O)(=O)N1CCN(C[C@H]2CC[C@H](C)O2)CC1 789355595 GHVNPLIZTLXJAJ-QWHCGFSZSA-N 301.412 -0.361 30 20 DBED C#C[C@H](NC(=O)C(=O)NC[C@H](C)Cn1cccn1)[C@@H]1CCCO1 790213449 NJSXCPJBWKVWIM-IHRRRGAJSA-N 318.377 -0.068 30 20 DBED C#CCC[C@H](O)CNC(=O)NC[C@@H](C)CN1CCN(C)CC1 798424172 ATPOORUUWHLNFZ-CABCVRRESA-N 310.442 -0.057 30 20 DBED C#CCN(CC#CC)c1nnc([C@H]2CNC(=O)C2)n1CCOC 818280460 CMQTUKAMUOTXCU-CYBMUJFWSA-N 315.377 -0.009 30 20 DBED N#CCn1cc(NC(=O)[C@H]2CCCN(S(N)(=O)=O)C2)cn1 824746407 BGLLQGKFFSUZEM-VIFPVBQESA-N 312.355 -0.739 30 20 DBED CCOC(=O)N1CCN(C(=O)CN2CC[C@@](O)(CC#N)C2)CC1 829970049 SEXZPHVBWRWEBJ-HNNXBMFYSA-N 324.381 -0.362 30 20 DBED C=C[C@@H](C)ONC(=O)CS(=O)(=O)CC(=O)NO[C@H](C)C=C 848244766 DGFISFQECUGONP-NXEZZACHSA-N 320.367 -0.354 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N1C[C@@H](CO)O[C@H](C)C1 850712983 YZVPSXASKGZHPZ-OLZOCXBDSA-N 312.366 -0.907 30 20 DBED C#Cc1ccc(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)OC)nc1 870357675 RTNUANVBQKSXCH-UWVGGRQHSA-N 303.318 -0.141 30 20 DBED C#CC[C@@H](CO)NS(=O)(=O)Cc1ccc(C(=O)NC)cc1 882341019 ZTMUPYORKDBHHL-ZDUSSCGKSA-N 310.375 -0.150 30 20 DBED C#CCSCCNC(=O)N1CC[C@@H](CS(N)(=O)=O)C1 919879176 UOZLTPAKKLSAJQ-SNVBAGLBSA-N 305.425 -0.327 30 20 DBED C#CCN(C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)C(C)C 928629072 YXBSBXGNQFVRKB-UHFFFAOYSA-N 317.349 -0.696 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)nn1 940505001 OJZCUDRVLQJWRP-WDEREUQCSA-N 302.338 -0.046 30 20 DBED C[C@@H]1CN(CC#N)CC[C@@H]1NC(=O)c1cn(C)c(=O)nc1O 944906354 HQNQPZQUBXUPJG-KOLCDFICSA-N 305.338 -0.550 30 20 DBED CN(C(=O)[C@@H]1CC(=O)NC(=O)N1)[C@@H]1CCCN(CC#N)CC1 948820917 UZYBRYDSPJPNHS-MNOVXSKESA-N 307.354 -0.579 30 20 DBED Cn1cnc(C(=O)N2CCOC3(CCN(CC#N)CC3)C2)n1 949086951 SRKLJLWTTJHLML-UHFFFAOYSA-N 304.354 -0.354 30 20 DBED CN1CC[C@H](C(=O)N2CCOC3(CCN(CC#N)CC3)C2)C1=O 949161935 IESNGOJANJGDQS-ZDUSSCGKSA-N 320.393 -0.318 30 20 DBED C#CCN1CC(N(CC)C(=O)c2ccc(=O)n(CCOC)n2)C1 950818291 JXGUKHUBPJPXDC-UHFFFAOYSA-N 318.377 -0.331 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)Cn1nccn1 952175177 AJLLRVZNZYZKOZ-XQQFMLRXSA-N 319.365 -0.414 30 20 DBED C#Cc1ccc(C(=O)N2CC(N(C)C(=O)c3cn(C)nn3)C2)cn1 954208399 SQXUOWDWNRQOPV-UHFFFAOYSA-N 324.344 -0.212 30 20 DBED C=C(Cl)CN1C[C@H](CNC(=O)c2cc(=O)n(C)o2)[C@@H](O)C1 958020474 PPYYMUVWRIQBIJ-UWVGGRQHSA-N 315.757 -0.247 30 20 DBED C=C(C)CN1C[C@H](CNC(=O)c2ccc3nnnn3c2)[C@@H](O)C1 958254777 SDHJEYHHENOLSI-STQMWFEESA-N 316.365 -0.277 30 20 DBED C=CCN1C[C@H](O)[C@H](CNC(=O)c2ccc(=O)n(CC)n2)C1 958495169 VRILJYHVZWEAHK-YPMHNXCESA-N 306.366 -0.528 30 20 DBED C=CCOc1cccnc1C(=O)NC[C@@H]1CN(CCO)C[C@H]1O 958577591 LBLJOUNWLOUFQS-CHWSQXEVSA-N 321.377 -0.339 30 20 DBED C=CCN1C[C@H](CNC(=O)C2CCN(C(C)=O)CC2)[C@@H](O)C1 958657269 GKHHTZHFKHDWHE-GJZGRUSLSA-N 309.410 -0.160 30 20 DBED C#CCN1C[C@H]2C(NC(=O)[C@H]3COCCN3CC(F)F)[C@@H]2C1 961375885 UWEGVMKNOBQXCU-IJLUTSLNSA-N 313.348 -0.368 30 20 DBED CCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)cn1 961944564 BOCPZIZQAVHYOY-WCQGTBRESA-N 305.338 -0.636 30 20 DBED C#Cc1ccc(C(=O)NC2[C@@H]3CN(Cc4nnn(C)n4)C[C@@H]23)cn1 962327151 RQNQBGQEIGCQSX-CHWSQXEVSA-N 323.360 -0.553 30 20 DBED O=C(NC[C@H]1COCCN1C(=O)C#CC1CC1)C1=COCCO1 964082547 PCODWQDAYCENCO-ZDUSSCGKSA-N 320.345 -0.368 30 20 DBED C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 966167232 MMNFYBLRFSKQBU-NEPJUHHUSA-N 320.397 -0.220 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](NC(=O)C(N)=O)C(C)(C)C1 967124486 IELZWTYIVKUNQZ-GRYCIOLGSA-N 323.393 -0.194 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1COCCO1 968561051 GQJVHTBTLAEESG-WUHRBBMRSA-N 307.350 -0.237 30 20 DBED C=CCN1CC[C@@H](N[C@@H]2CCN(C(=O)[C@H](O)C(C)C)C2)C1=O 968563561 YZCMFVHFOSHOJB-MGPQQGTHSA-N 309.410 -0.019 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](N(C)CC(=O)N2CCOCC2)C1 971222527 ZAKSJOWLRILYMT-OLZOCXBDSA-N 308.382 -0.462 30 20 DBED C#CCN[C@H]1CCC[C@@H](NC(=O)c2nccnc2C(N)=O)C1 981510270 OIFHKJPRVAYMJT-WDEREUQCSA-N 301.350 -0.161 30 20 DBED C=CCN1CCCC2(C1)CN(C(=O)C[C@@H]1NC(=O)NC1=O)C2 981819363 ZGHDWWINOOZNLD-NSHDSACASA-N 306.366 -0.305 30 20 DBED C=C(Cl)CN[C@@H]1CCN(C(=O)CN2CCNC(=O)C2)[C@@H]1C 986669304 ILHGRYOSSQQEJJ-VXGBXAGGSA-N 314.817 -0.250 30 20 DBED CN(C[C@@H]1CCN(C(=O)C#CC2CC2)C1)C(=O)[C@H]1C[C@H]1C(N)=O 987983501 HPNXGDOTSUWPMW-MJBXVCDLSA-N 317.389 -0.172 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CN(C(=O)Cn2cncn2)C1 992027367 BKPZNIRNAOIQDD-JSGCOSHPSA-N 319.365 -0.414 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CCOC)C2)CC1(C)C 995868955 FPVQISBCMGYYOC-ZIAGYGMSSA-N 321.421 -0.059 30 20 DBED C#CCNC1CC(N(C)C(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 999201348 DMIMEGMSLFSJFB-UHFFFAOYSA-N 314.353 -0.480 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)[C@H]2CCc3nnnn3CC2)C1 1000325266 CVKYTEMGAADCBE-UWVGGRQHSA-N 317.353 -0.888 30 20 DBED C=CCN[C@H]1CCCN(C(=O)c2cn(CC(=O)N(C)C)nn2)C1 1001000723 WFULIFSSYDLHEO-LBPRGKRZSA-N 320.397 -0.254 30 20 DBED O=C(C#CC1CC1)N1CCN(C(=O)[C@@H]2CCCS2(=O)=O)CC1 1011111540 ODJIKCXCHZOLGZ-ZDUSSCGKSA-N 324.402 -0.352 30 20 DBED C[C@H]1[C@@H](NC(=O)Cc2nc[nH]n2)CCN1C(=O)C#CC1CC1 1011743294 XJGLLTWHUISDKD-JQWIXIFHSA-N 301.350 -0.134 30 20 DBED CC#CCN1CC[C@@H](NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 1014431586 YAHCZSQITOXFHG-QWHCGFSZSA-N 315.377 -0.024 30 20 DBED C#CCN1CCC(C(=O)N[C@@H]2CCN([C@H](C)C(=O)NC)C2)CC1 1016336617 MQUMGTKHSKRQBL-UKRRQHHQSA-N 320.437 -0.343 30 20 DBED C#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)CCN1C(=O)CCC1=O 1017716345 COZKNPYWXWIFAE-BETUJISGSA-N 303.362 -0.166 30 20 DBED C=CCN1C[C@@H]2CC[C@H](C1)N2C(=O)C1CC2(C1)NC(=O)NC2=O 1018059052 JTRZROWUCNGYTP-PFBBNDLVSA-N 318.377 -0.164 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)CC2CCOCC2)C1 1023238495 UEVQAHLGBZFABP-CYZMBNFOSA-N 309.366 -0.349 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2O)[nH]1 1023429020 KWNRVHKCHZUFEG-ZIAGYGMSSA-N 312.329 -0.399 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CN(C(=O)C3CCC3)C[C@H]2O)c[nH]1 1023465651 BHHROVBHIKANBN-CHWSQXEVSA-N 302.334 -0.012 30 20 DBED Cc1ncn(C)c1C(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1O 1024172066 UJJHOMNDXUXBFO-JMJZKYOTSA-N 305.338 -0.810 30 20 DBED CCc1n[nH]cc1C(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1O 1024536353 YKDLPOMTYIISRH-XXILOJSOSA-N 305.338 -0.567 30 20 DBED C=CCNC1CCC(NC(=O)CN2C(=O)C(=O)N(C)C2=O)CC1 1026571562 AJZMHNQBUGYNFS-UHFFFAOYSA-N 322.365 -0.390 30 20 DBED CC#CCN1CC[C@@H](CNC(=O)c2nccnc2C(N)=O)C1 1028974782 QSOALKHWTJVRDY-NSHDSACASA-N 301.350 -0.350 30 20 DBED C[C@H](c1nnnn1C)N1CC(NC(=O)c2ccc(C#N)[nH]2)C1 1030225888 IZTHOQNTGCSVCA-MRVPVSSYSA-N 300.326 -0.415 30 20 DBED C#Cc1ccc(C(=O)NCC2CN([C@@H]3CCN(C)C3=O)C2)nc1 1032136666 DSPSZABSAJORGS-OAHLLOKOSA-N 312.373 -0.045 30 20 DBED CCc1c(C(=O)NC[C@H]2CN(CC#N)CCO2)nnn1CC 1035509780 FDNSGLSTHCMJCQ-NSHDSACASA-N 306.370 -0.185 30 20 DBED N#Cc1cc(C(=O)N2CC[C@H]3[C@@H](CCN3CC(N)=O)C2)c[nH]1 1036684639 LHTUZEJYRQZXRV-GWCFXTLKSA-N 301.350 -0.092 30 20 DBED C=C(Br)CN1CC[C@@H]1CNC(=O)[C@@H]1CNC(=O)N1 1038649572 ICHYKYFWHMXJPK-BDAKNGLRSA-N 317.187 -0.233 30 20 DBED C#CCCCC(=O)N1CC[C@](O)(CNC(=O)[C@H](O)C(C)C)C1 1039626016 CAMSZXDOCISQNK-ZBFHGGJFSA-N 310.394 -0.114 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)c3ccnnc3)C2)cn1 1041357761 NKIWQOMGPKTQNL-ZIAGYGMSSA-N 310.317 -0.277 30 20 DBED N#Cc1cncc(NC[C@@H]2CN(C(=O)CC(N)=O)CCCO2)n1 1041486191 GAJKWJZKHRCVRI-LLVKDONJSA-N 318.337 -0.747 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)c2nn(C)cc2C)C1 1042040235 QXJYMHGFJRPMFY-UHFFFAOYSA-N 322.365 -0.766 30 20 DBED C=CCOCCCC(=O)NCC1(O)CN(C(=O)CCOC)C1 1042311724 GAJHCZYYJIJPBC-UHFFFAOYSA-N 314.382 -0.305 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(O)CN(C(=O)c2oncc2C)C1 1042808770 CTDIHRFLXJLAQO-CQSZACIVSA-N 323.349 -0.387 30 20 DBED O=C(C#CC1CC1)NCC1(O)CN(C(=O)c2ncccn2)C1 1042960133 FKHHMSVXKJJHIF-UHFFFAOYSA-N 300.318 -0.807 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)C1CN([C@H](C)C(=O)N(C)C)C1 1042963911 WCFHPSVBTUORMS-HIFRSBDPSA-N 320.437 -0.297 30 20 DBED CC(C)(C)C#CC(=O)NCC1(O)CN(C(=O)CN2CCCC2)C1 1042970274 IVIZHSIDELYLMH-UHFFFAOYSA-N 321.421 -0.179 30 20 DBED C=CC(C)(C)CC(=O)NCC1(O)CN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 1043207479 WTWUCNQGVGCJRC-MNOVXSKESA-N 323.393 -0.600 30 20 DBED C=CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)Cn2ccnc2)C1 1043715762 YPWATQCAFFXIJO-GFCCVEGCSA-N 322.365 -0.836 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)c3cccnc3)C2)nn1 1043826127 MCQDLSMAHDYVFI-OLZOCXBDSA-N 310.317 -0.277 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)[C@@H]2CCC(=O)N2)C1 1044269570 UDYQQCUPJXOVRY-JTQLQIEISA-N 309.366 -0.833 30 20 DBED C[C@H]1CO[C@@H](C(=O)NCC2(O)CN(C(=O)C#CC3CC3)C2)C1 1044557602 NKHARPWDJVWEEW-DGCLKSJQSA-N 306.362 -0.486 30 20 DBED C=CCn1cc(C(=O)N(C)[C@H]2CN(C[C@@H](C)OC)C[C@@H]2O)nn1 1047554402 SCZPHEWLDACISG-XBFCOCLRSA-N 323.397 -0.384 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2ccc[nH]2)C1 1048219933 XWBHZTYPYHLQKT-STQMWFEESA-N 307.350 -0.139 30 20 DBED C[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1CNCc1nnn(C)n1 1048253717 RDSXIBCSCGQZEG-AAEUAGOBSA-N 302.382 -0.192 30 20 DBED CC[C@H](OC)C(=O)N(C)[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 1048506296 NMLTTWOAGYIKAW-IHRRRGAJSA-N 308.378 -0.145 30 20 DBED C=CCOCC(=O)N(C)[C@H]1CN(C(=O)c2cnccn2)C[C@@H]1O 1048551739 PUCVPESMIYUHOO-STQMWFEESA-N 320.349 -0.677 30 20 DBED CN(C)C(=O)CN1C[C@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]2C1 1048772126 SQHGOJZLGDNGDY-TXEJJXNPSA-N 315.377 -0.022 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1O 1049387849 BAYOKZOTHALYBK-XDTLVQLUSA-N 315.333 -0.310 30 20 DBED C#CCCCC(=O)N1CC[C@H]([C@@H](C)NC(=O)Cn2ncnn2)C1 1050587374 JWFWJQHWUUXNAO-OLZOCXBDSA-N 318.381 -0.170 30 20 DBED CC(C)(C)n1cc(C(=O)NC[C@H]2COCCN2CC#N)nn1 1050950063 UMJHKFKWIFSRMG-NSHDSACASA-N 306.370 -0.013 30 20 DBED N#Cc1cnc(N2CC[C@H](NC(=O)c3cn[nH]c3)[C@@H](O)C2)cn1 1051625844 FPGKLFBEGQIBPS-RYUDHWBXSA-N 313.321 -0.559 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)[C@@H]3CC(=O)N(CC)C3)CO2)C1 1053820779 LSQMENDERQQERN-ZIAGYGMSSA-N 319.405 -0.162 30 20 DBED COc1nccc(C(=O)N[C@H]2COC3(C2)CN(CC#N)C3)n1 1053867521 MQIJXIVJGDNMIK-SNVBAGLBSA-N 303.322 -0.418 30 20 DBED COc1cc(O)ncc1C(=O)N[C@H]1COC2(C1)CN(CC#N)C2 1053930113 OZFRBTMGSMXGMI-SNVBAGLBSA-N 318.333 -0.108 30 20 DBED CC[C@H](NC(C)=O)C(=O)N1C[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2C1 1055450956 XOOUNSWLNZQIQF-DEQVHRJGSA-N 320.393 -0.022 30 20 DBED C=CCCC(=O)N1CCC[C@@](CO)(NC(=O)c2cn(C)nn2)C1 1055924535 NQDZQVVNVJRIAG-OAHLLOKOSA-N 321.381 -0.135 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@@H]2CCCN(C(=O)CC(N)=O)[C@@H]2C1 1056635992 QZFUVJOBTSLPDJ-FRRDWIJNSA-N 321.377 -0.651 30 20 DBED CS[C@H](C)C(=O)NCCN(CCO)C(=O)CSCC#N 1057027115 ZMEGLJGETDSMHJ-SNVBAGLBSA-N 319.452 -0.068 30 20 DBED C[C@@H](C#N)C(=O)N1CCCN(c2nccn3nnnc23)CC1 1057108000 VKTUGPMXQATFHU-JTQLQIEISA-N 300.326 -0.282 30 20 DBED N#Cc1cncc(N2CCCN(C(=O)C3(C(N)=O)CC3)CC2)n1 1057222297 LERJMZXTGQJOIW-UHFFFAOYSA-N 314.349 -0.348 30 20 DBED O=C(C[C@@H]1COC(=O)C1)NCCN(CCO)C(=O)C#CC1CC1 1057531064 DFPRTHJHCCGLOL-ZDUSSCGKSA-N 322.361 -0.710 30 20 DBED N#Cc1nccnc1N1CCC[C@H](NC(=O)Cn2cnnn2)C1 1058118694 NGJPGQQIUDBLDP-JTQLQIEISA-N 313.325 -0.880 30 20 DBED N#Cc1cncc(N2CCC[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)n1 1058239098 CTTGEDKMKJQYQB-WCQGTBRESA-N 314.349 -0.445 30 20 DBED C=CC(C)(C)C(=O)N(CCO)CCNC(=O)[C@H](COC)OC 1058303606 DASGXZGYYIEYES-LBPRGKRZSA-N 316.398 -0.203 30 20 DBED N#Cc1cnc(N2CC[C@@H](NC(=O)C[C@@H]3COC(=O)C3)C2)cn1 1058339572 VTHFXKVMAZZPLA-WDEREUQCSA-N 315.333 -0.004 30 20 DBED C[C@]1(C(=O)N[C@H]2CCN(c3nccnc3C#N)C2)CCNC1=O 1058541688 RAFPDTSRYVSLPJ-BONVTDFDSA-N 314.349 -0.431 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)[C@@H]1CCO[C@H]1C 1058553057 UMWJYDAXLVSPID-QWHCGFSZSA-N 314.382 -0.449 30 20 DBED C#Cc1ccc(C(=O)NCCN(CCO)C(=O)[C@H](C)C#N)nc1 1058654942 LWHQLMHVZGAKGU-GFCCVEGCSA-N 314.345 -0.227 30 20 DBED Cn1ccc(CC(=O)N2CC[C@H](N=c3cc[nH]c(C#N)n3)C2)n1 1058890487 WOBMCGQQWOCCJO-LBPRGKRZSA-N 311.349 -0.241 30 20 DBED CC(=O)N(C)CC(=O)NCC[C@H]1CCN(C(=O)[C@H](C)C#N)C1 1060288476 ABLAFJWGHJMUSI-YPMHNXCESA-N 308.382 -0.021 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCC2(CC1)CN(C(=O)CC(N)=O)C2 1060957961 AUGACJAESZGZIB-HNNXBMFYSA-N 323.393 -0.360 30 20 DBED CO[C@H](C)C(=O)NC[C@H]1COCCN1C(=O)c1ccc(C#N)[nH]1 1061367994 VRZOYNCTHDIYRA-PWSUYJOCSA-N 320.349 -0.122 30 20 DBED C#CCCCC(=O)N1CCOC[C@@H]1CNC(=O)[C@H](C)NC(N)=O 1061526745 JTYMRTVCKRFIML-RYUDHWBXSA-N 324.381 -0.810 30 20 DBED C#CCCCC(=O)NC[C@H]1COCCN1C(=O)CNC(=O)NC 1061534654 RGANNEUCIHNENH-LBPRGKRZSA-N 324.381 -0.938 30 20 DBED CN(C)C(=O)CC(=O)NC[C@H]1COCCN1C(=O)C#CC1CC1 1061596478 CJAYPZYNNLOGEM-ZDUSSCGKSA-N 321.377 -0.778 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)c1nccnc1N 1061846519 OSEAGCWEXLBKLT-NXEZZACHSA-N 318.337 -0.824 30 20 DBED N#Cc1cccnc1N1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CNC(=O)N1 1062568726 GSESGYBMOXNNDP-SRVKXCTJSA-N 312.333 -0.576 30 20 DBED CN(C(=O)[C@@H]1COCCO1)[C@@H]1CCN(c2cnc(C#N)cn2)C1 1062887842 YYGUQBKNGBTBDU-OLZOCXBDSA-N 317.349 -0.199 30 20 DBED Cn1cc(C(=O)N2CCC[C@@H]2CN=c2cc[nH]c(C#N)n2)nn1 1063478690 HWTOMOXRNGXVLL-SNVBAGLBSA-N 312.337 -0.385 30 20 DBED C=C1CC(C)(C(=O)NC[C@@H]2CN(C(=O)CNC(C)=O)CCO2)C1 1064781652 QHIZIMKAONWEFN-CYBMUJFWSA-N 323.393 -0.178 30 20 DBED C=CCOCC(=O)N1CCO[C@H](CNC(=O)CCOCC)C1 1064976650 NHKUWAZEYIHKIU-CYBMUJFWSA-N 314.382 -0.041 30 20 DBED C=CCC(CC=C)C(=O)NC[C@@H]1CN(C(=O)CC(N)=O)CCO1 1064999616 ZHYYZSXGNZLIEM-CYBMUJFWSA-N 323.393 -0.026 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CN(C(=O)c2cccc(O)n2)CCO1 1065016634 RKYHUVDNCRBPTB-MNOVXSKESA-N 318.333 -0.096 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(C(=O)c2cncnc2)CCO1 1065072311 ZPWOADURTKRDIJ-CQSZACIVSA-N 314.345 -0.153 30 20 DBED Cc1nn[nH]c1C(=O)N[C@H]1C[C@H](CN=c2cc[nH]c(C#N)n2)C1 1068564844 AYFGYNJUTYGOEJ-MGCOHNPYSA-N 312.337 -0.183 30 20 DBED N#CCN1CCn2ncc(CNC(=O)[C@H]3CCC(=O)N3)c2C1 1069855474 CEXWWMFZHDDIOP-LLVKDONJSA-N 302.338 -0.883 30 20 DBED C#CCN1CC[C@H](c2n[nH]cc2CNC(=O)c2cnn(C)n2)C1 1070431476 WNTAGZVDIUGAKC-NSHDSACASA-N 313.365 -0.109 30 20 DBED N#CCN1C[C@H]2C[C@@H]3CN(C(=O)[C@@H]4CCCNC4=O)C[C@@]3(C1)O2 1070811003 GLPLAHRDYUINRO-BRXULGCHSA-N 318.377 -0.662 30 20 DBED C=CCN1C[C@H]2C[C@@H]3CN(C(=O)[C@@H]4CNC(=O)N4)C[C@@]3(C1)O2 1070844705 KGJPMNVNPQDKCU-MCYUEQNJSA-N 306.366 -0.845 30 20 DBED CN1C[C@@H](C(=O)N2CCC[C@@H](NC(=O)C#CC3CC3)C2)CC1=O 1070851604 WTFSPTVPSDNSSC-UONOGXRCSA-N 317.389 -0.015 30 20 DBED C#CCCN1CCNC(=O)CCN(C(=O)c2cnsn2)CC1 1070943569 VDCJHIDKFFZGQY-UHFFFAOYSA-N 321.406 -0.175 30 20 DBED C=CCn1cc(C(=O)N2CCC(=O)NCCN(CC)CC2)nn1 1071007867 ZBOAOXDNWVFJMK-UHFFFAOYSA-N 320.397 -0.252 30 20 DBED C=CCOCC(=O)N1C[C@@H](NC(=O)c2cnn(C)c2N)[C@H](C)C1 1071809030 OYTQZCVQWHLASH-ZYHUDNBSSA-N 321.381 -0.218 30 20 DBED C[C@H]1CN(C(=O)Cn2cnnc2O)C[C@H]1NC(=O)C#CC1CC1 1071942456 HSQYEFOZJFXRGI-CMPLNLGQSA-N 317.349 -0.640 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(C(=O)CCNC(N)=O)C[C@@H]1C 1072067140 RPUCOLHRZBUFKQ-NWDGAFQWSA-N 308.382 -0.333 30 20 DBED C#CCN1CCC2(C1)CN(C(=O)[C@H](Cn1cccn1)N(C)C)C2 1072813534 VMRFOFSEMFCQFO-HNNXBMFYSA-N 315.421 -0.019 30 20 DBED N#CCN1CCCO[C@H](CNC(=O)[C@H]2CCS(=O)(=O)C2)C1 1073684266 MJKHQTYHUFVWPB-NWDGAFQWSA-N 315.395 -0.848 30 20 DBED COc1nn(C)cc1C(=O)NC[C@@H]1CN(CC#N)CCCO1 1073722576 LTFWKTFONQUTER-LLVKDONJSA-N 307.354 -0.227 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)c3ccc(C(N)=O)o3)C[C@@H]21 1074291681 JAUVQEZZMNPPKS-NWDGAFQWSA-N 317.345 -0.073 30 20 DBED CNC(=O)CC(=O)N1CCC(O)(CNC(=O)C#CC(C)C)CC1 1074560041 KYSRJLWEIBXHIS-UHFFFAOYSA-N 323.393 -0.748 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(C(=O)CNC(N)=O)[C@@H](C)C1 1074891896 MARVKNOZSJEHDA-WDEREUQCSA-N 312.370 -0.647 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](NC(=O)CC(=O)NC)C[C@@H]1C 1074952306 BHFQUQGQZIDCHP-QWHCGFSZSA-N 323.393 -0.342 30 20 DBED C=CCOCC(=O)NCC[C@H](C)NC(=O)[C@H]1CCC(=O)N1C 1075922204 IQALFYWHPJGYCI-NWDGAFQWSA-N 311.382 -0.179 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2ccn(C3CCOCC3)n2)C1 1076997699 DJOAGHZNPZPLNL-ZIAGYGMSSA-N 319.365 -0.467 30 20 DBED C=CCC1(C(=O)N[C@@H](C)CCNC(=O)C(N)=O)CCOCC1 1078116339 USLTYHGWCNSYCE-NSHDSACASA-N 311.382 -0.144 30 20 DBED C#CCN[C@H]1C[C@@H](NC(=O)CN2CCOCC2=O)C12CCC2 1078648437 ZRDMIDRSVLLJDX-QWHCGFSZSA-N 305.378 -0.505 30 20 DBED CN1CC(=O)N(CC(=O)N2C[C@H]3CC[C@H]2[C@@H](NCC#N)C3)C1=O 1079102236 JPSYMMGAASCCEV-SRVKXCTJSA-N 319.365 -0.627 30 20 DBED C=CCOCC(=O)N(CC)C1CN(C(=O)C2(NC(N)=O)CC2)C1 1079490524 SXUNTEWVPGTXAA-UHFFFAOYSA-N 324.381 -0.551 30 20 DBED C#CCCCCC(=O)N(CC)C1CN(C(=O)Cn2ncnn2)C1 1079641111 VSNBBBCOJWOFIN-UHFFFAOYSA-N 318.381 -0.074 30 20 DBED CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)[C@]2(C)CCNC2=O)C1 1080416828 QYSBPZWSAZYSGX-MEBBXXQBSA-N 306.366 -0.268 30 20 DBED C=CCOCC(=O)NC1(CO)CCN(C(=O)c2nc[nH]n2)CC1 1080773422 OADDVTQLYSUEEK-UHFFFAOYSA-N 323.353 -0.909 30 20 DBED C=CCOCC(=O)NC1(CO)CCN(C(=O)COC)CC1 1080773622 VFJAJJNNKYWNQY-UHFFFAOYSA-N 300.355 -0.695 30 20 DBED C[C@@H](C#N)C(=O)NC1(CO)CCN(C(=O)c2ccncn2)CC1 1080981920 OUFSKSPQAPPKGE-NSHDSACASA-N 317.349 -0.280 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)CN2CCCC2=O)C[C@@H]1O 1081333002 NKKAWQLZOBGMGZ-OLZOCXBDSA-N 323.393 -0.490 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H]2CN(CCN3CCCC3=O)C[C@@H]21 1083024552 RLYWFEHMEOPHMI-HZSPNIEDSA-N 320.393 -0.320 30 20 DBED CCn1nc(C)c(C(=O)N2CCO[C@@H]3CN(CC#N)C[C@@H]32)n1 1083292664 QRVWNHQXCBPCBS-NWDGAFQWSA-N 304.354 -0.345 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)c2cnc3n2CCOC3)C1 1083541183 SXLMHFIVWQMULR-YPMHNXCESA-N 304.350 -0.789 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCCN(C(N)=O)C2)C1 1083619740 DGLMLTYZQZNDJW-MJBXVCDLSA-N 324.425 -0.095 30 20 DBED CN(C[C@H]1CCN1CC#N)C(=O)c1cn(C[C@@H]2CCOC2)nn1 1085897274 ZZPYEQRWBBBRER-QWHCGFSZSA-N 318.381 -0.016 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1c1cnn(C)c1 1086997190 QVGVXSVXINNOJG-ZOBORPQBSA-N 315.377 -0.941 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2cn(C)c(=O)nc2O)[C@H]1C 1089035868 AHKSYVMLAZBCEF-PWSUYJOCSA-N 304.350 -0.298 30 20 DBED N#CCN1CC[C@H](NC(=O)c2cnc3[nH]ncc3c2)[C@@H](O)C1 1090356884 ZDNKNQHKQUYXBP-RYUDHWBXSA-N 300.322 -0.354 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2cccc3ncnn23)[C@@H](O)C1 1090402416 HQPUXAKVLLGFSR-OCCSQVGLSA-N 313.361 -0.082 30 20 DBED CN(C)CCn1cc(C(=O)N[C@H]2CCN(CC#N)C[C@H]2O)cn1 1090638980 UCDYNDNBQXUMTJ-UONOGXRCSA-N 320.397 -0.867 30 20 DBED C=CCN1CC[C@@H](NC(=O)c2cccc(C(=O)NC)n2)[C@H](O)C1 1090767560 KSKBIEHHHHIJHL-BXUZGUMPSA-N 318.377 -0.208 30 20 DBED COCC(=O)N[C@@H]1CCN(c2nc(C)cc(C#N)n2)C[C@@H]1O 1092126073 IRXAXKBRSGMUIU-NEPJUHHUSA-N 305.338 -0.641 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(c2nccnc2F)C[C@@H]1O 1092153254 FHCLHXUJKKXQDL-QWRGUYRKSA-N 310.329 -0.126 30 20 DBED Cc1cc(C#N)nc(NCCNC(=O)[C@@H]2COCCN2C)n1 1093554315 DXJZUYCJPJPING-LBPRGKRZSA-N 304.354 -0.485 30 20 DBED CN1CC(=O)N(CC(=O)NCCNc2ccc(C#N)nc2)C1=O 1093621964 BIMDWOGODSRCQC-UHFFFAOYSA-N 316.321 -0.625 30 20 DBED N#CCN1CCN(C(=O)/C=C\C2CC2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094615698 GIEYSIOPNPPQBR-RSNNXLNZSA-N 309.391 -0.214 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)c3csnn3)CC2=O)C1 1094766778 NGLJRQZZWOTJFL-SECBINFHSA-N 307.379 -0.261 30 20 DBED C[C@H](CC(N)=O)C(=O)N1CCCN(c2ccnc(C#N)n2)CC1 1095201809 BWOGTQYPVVSZSK-LLVKDONJSA-N 316.365 -0.102 30 20 DBED CC(=O)N[C@H](C)C(=O)N1CCC(N=c2cc[nH]c(C#N)n2)CC1 1095212455 PKSHMGAFTJDKGZ-SNVBAGLBSA-N 316.365 -0.302 30 20 DBED Cn1cnc(C(=O)NC[C@@H](N=c2cc[nH]c(C#N)n2)C2CC2)n1 1096639887 WFWFAHVHEOUTDM-SNVBAGLBSA-N 312.337 -0.481 30 20 DBED C[C@@H](CC(N)=O)C(=O)N[C@H]1C[C@H](Nc2cncc(C#N)n2)C1 1097086703 VCNCKPQVXVNHOL-GUBZILKMSA-N 302.338 -0.081 30 20 DBED CC(=O)N(C)CC(=O)N[C@H]1C[C@@H](Nc2ccc(C#N)nn2)C1 1097151735 GXDGFFAGQWMXBR-TXEJJXNPSA-N 302.338 -0.114 30 20 DBED C[C@H](CNC(=O)C1CC(=O)NC(=O)C1)Nc1ccc(C#N)nc1 1097936966 PAQMSCCGTYPVBP-SECBINFHSA-N 315.333 -0.077 30 20 DBED CCNC(=O)CCCC(=O)NC[C@@H](C)N=c1cc[nH]c(C#N)n1 1097964893 LZMCKBXOXHIRFJ-LLVKDONJSA-N 318.381 -0.007 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC[C@@H](n2cc(CNCCO)nn2)C1 1098663827 JSYJWDIQKMBDLI-UKRRQHHQSA-N 323.397 -0.540 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)c2ccoc2)[C@@H](O)C1 1099659648 IQUPMNIXNHAJEO-OLZOCXBDSA-N 305.334 -0.806 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)C(=O)C(C)(C)C)[C@H](O)C1 1099747279 VVSWRXYYWQJWIO-CHWSQXEVSA-N 310.394 -0.197 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)c2nccnc2N)[C@@H](O)C1 1099748874 DABNCMREOUSBIX-RYUDHWBXSA-N 321.381 -0.574 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)Cc2ccoc2)[C@H](O)C1 1099787609 YFPKSAJHQJGGQT-ZIAGYGMSSA-N 321.377 -0.324 30 20 DBED Cn1ccnc1CN1CC[C@@H](NC(=O)C#CC2CC2)[C@@H](O)C1 1099813987 XRYXAIMIIWHQMK-KGLIPLIRSA-N 302.378 -0.115 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)CCCCNC(N)=O)[C@H](O)C1 1099909160 OIIOGBUKDGCEFP-CHWSQXEVSA-N 312.414 -0.048 30 20 DBED C#CCN1CC[C@@H](NC(=O)C(C)(C)NC(=O)NCC=C)[C@H](O)C1 1100128888 FGLATOUNUMILHS-CHWSQXEVSA-N 322.409 -0.565 30 20 DBED CN(CCNC(=O)[C@@H]1CCCCC(=O)N1)c1ccc(C#N)nn1 1100320002 KSEQNLNGOPSVTQ-LBPRGKRZSA-N 316.365 -0.041 30 20 DBED C#CCOCCC(=O)NCC1CC(NCC(=O)NCC=C)C1 1100324825 HHVHQBURWSMUDQ-UHFFFAOYSA-N 307.394 -0.187 30 20 DBED C#CCCNC1CC(CNC(=O)CCS(=O)(=O)NC)C1 1100325863 AALCOXJGDVRDNF-UHFFFAOYSA-N 301.412 -0.567 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)c2cnc(C)n2C)C1 1100606368 ANESYVJGQQLWHF-UHFFFAOYSA-N 317.393 -0.424 30 20 DBED CC[C@@H](NC(C)=O)C(=O)NCC1CC(NCC(=O)NCC#N)C1 1100694074 KNUCGTLTPFVYHF-WXRRBKDZSA-N 323.397 -0.975 30 20 DBED C[C@H](CC(N)=O)C(=O)NC[C@H]1CCCN1c1nccnc1C#N 1100887063 SVSUUUIMKWCJCL-GHMZBOCLSA-N 316.365 -0.055 30 20 DBED N#Cc1ccc(N(CCNC(=O)[C@H]2COC(=O)N2)C2CC2)nn1 1101336019 KLJYVTLAJQOVTF-LLVKDONJSA-N 316.321 -0.458 30 20 DBED C=CCOCC(=O)N(C)CCNc1ncnc2c1nnn2C 1101546322 VUAMHCDQIXYBJR-UHFFFAOYSA-N 305.342 -0.169 30 20 DBED CO[C@H](C(=O)NC[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C)C1CC1 1101925752 APXWNFWMAMXYHT-KYOSRNDESA-N 322.409 -0.265 30 20 DBED C[C@@H]1CN(C(=O)c2cnc(O)n(C)c2=O)C[C@H]1CCNCC#N 1104476963 XWHSMLKSNLKMJW-GHMZBOCLSA-N 319.365 -0.303 30 20 DBED C=CCOCCNCC[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)C[C@H]1C 1104602910 FTIOTEJSLPAHKT-MCIONIFRSA-N 324.425 -0.055 30 20 DBED C=C(C)C(C)(C)C(=O)N1CC(n2cc(CNCC(N)=O)nn2)C1 1105299370 UJHGUMANEAGKTP-UHFFFAOYSA-N 320.397 -0.161 30 20 DBED C=CCCNCc1cn(C2CN(C(=O)c3cnn(C)n3)C2)nn1 1105343903 BQEMYYZPPZVIID-UHFFFAOYSA-N 316.369 -0.231 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)CNC(=O)OC)C[C@H]1C 1105879268 JDHJCSHTIUTZHM-CHWSQXEVSA-N 311.382 -0.324 30 20 DBED C[C@@]1(C(=O)NC[C@@H](O)CNc2nccnc2C#N)CCOC1 1105939290 NRFUDJLVLHOMDF-IINYFYTJSA-N 305.338 -0.336 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)[C@H]2CCCNC2=O)cn1 1105998887 ICRVUCAGTIVUHZ-OLZOCXBDSA-N 317.349 -0.632 30 20 DBED C[C@@H](CC(N)=O)C(=O)NC/C=C/CNc1cncc(C#N)n1 1107450194 BZZTYNXSNZESLS-PBKGFPTLSA-N 302.338 -0.056 30 20 DBED Cc1cc(=NC[C@@H](C)NC(=O)CCNC(N)=O)c(C#N)c[nH]1 1107756702 TWVHDRVGZDLHSD-SNVBAGLBSA-N 304.354 -0.341 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)c2ccc(C(N)=O)o2)C1 1108062683 HOYPASRWDWUCGZ-OAHLLOKOSA-N 305.334 -0.168 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CC(=O)N(C2CN(C(C)C)C2)C1 1108546362 VDSFUXALCCYSJQ-QWHCGFSZSA-N 307.394 -0.166 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)COCC(F)F)CC2=O)C1 1108558495 GRMUGTVQDDTMPU-JTQLQIEISA-N 315.320 -0.697 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)C[C@H](C)COC)CC2=O)C1 1108583340 LULBLWIRRAXHRT-QWHCGFSZSA-N 307.394 -0.307 30 20 DBED C=CCN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CS(=O)(=O)NC)C2 1108823185 IFFNYQWXABGTSC-TUAOUCFPSA-N 301.412 -0.309 30 20 DBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cn[nH]c1 1108974415 XFISHAHDUSDZLB-WOPDTQHZSA-N 302.338 -0.615 30 20 DBED C[C@@H](CN(C)c1cncc(C#N)n1)NC(=O)[C@]1(C)CNC(=O)C1 1109157177 YDMSUCHOGPYYMP-BONVTDFDSA-N 316.365 -0.185 30 20 DBED CN(CCCNc1nccnc1C#N)C(=O)[C@@H]1CCNC1=O 1109578627 KAMXFTUQZVKEET-SNVBAGLBSA-N 302.338 -0.255 30 20 DBED CNC(=O)CC(=O)N[C@@H]1[C@H]2C[C@H]1N(c1ccc(C#N)nn1)C2 1109699326 HINZUQFPWWOSMC-LLHLLMPMSA-N 300.322 -0.822 30 20 DBED CC(=O)N(C)CC(=O)N[C@@]1(C)CCN(c2cnc(C#N)cn2)C1 1110722503 LKCJDGZPDMLPDT-HNNXBMFYSA-N 316.365 -0.088 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@]1(O)CCN(c2cc(C)ncn2)C1 1111097629 CWCBPJVDLZRSPU-BBRMVZONSA-N 318.377 -0.119 30 20 DBED N#Cc1ccc(NCCN(CCO)C(=O)CN2CCCC2)nn1 1111476669 WWVGMWAQJQSNGS-UHFFFAOYSA-N 318.381 -0.323 30 20 DBED N#Cc1cnc(NC2(CNC(=O)[C@@H]3CNC(=O)N3)CCC2)cn1 1111890766 NSXUESQAPDQEGY-JTQLQIEISA-N 315.337 -0.520 30 20 DBED N#Cc1nccc(NC2(CNC(=O)[C@@H]3CNC(=O)N3)CCC2)n1 1111890980 SVRSMQCTJWVODR-VIFPVBQESA-N 315.337 -0.520 30 20 DBED CC#CCN[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)C[C@H]1C(F)(F)F 1112154494 OFGCTQKOTVIPKZ-OPRDCNLKSA-N 318.299 -0.330 30 20 DBED C[C@H]1CN(C(=O)CCNC(N)=O)C[C@@H]1Nc1cncc(C#N)n1 1112313465 YQQBNJAAGUHEQC-ONGXEEELSA-N 317.353 -0.335 30 20 DBED CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCN(CC#N)CC1 1113287784 ZBQMPICIDAQMSA-ZDUSSCGKSA-N 304.354 -0.875 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)[C@H](OC)C(C)C)CC1 1113297987 RMGQMDVZJXYBSJ-UONOGXRCSA-N 309.410 -0.061 30 20 DBED C[C@@H](CNC(=O)c1cn(C)nn1)N(C)c1ccnc(C#N)n1 1113580824 BOXSXPFSVQEJAJ-VIFPVBQESA-N 300.326 -0.269 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCC(=O)N(C)C2)CC1 1113686873 ZQPSFOWRDQMGHP-ZDUSSCGKSA-N 322.409 -0.699 30 20 DBED N#CCNC(=O)CN1C[C@H]2C(NC(=O)Cc3ccsc3)[C@@H]2C1 1113800778 HTTCAKSWTDFFNL-VXGBXAGGSA-N 318.402 -0.023 30 20 DBED N#CCSCC(=O)NC1[C@@H]2CN([C@H]3CCC(=O)NC3=O)C[C@@H]12 1113897370 UECARUUYVOUWNA-BBBLOLIVSA-N 322.390 -0.905 30 20 DBED C#CCCN1C[C@H]2[C@H](NC(=O)[C@H](C)NS(=O)(=O)CC)[C@H]2C1 1114310826 CHJKEFIYYQAUTF-WUHRBBMRSA-N 313.423 -0.616 30 20 DBED N#Cc1cnc(N2C[C@H]3[C@H](CNC(=O)Cn4cncn4)[C@H]3C2)cn1 1114552145 MJJJBQCUYGZLDD-XYYAHUGASA-N 324.348 -0.562 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)Cc3cnoc3)[C@H]2C1 1114727890 ZNUGBUMWXWPVGR-PBOSXPJTSA-N 318.377 -0.046 30 20 DBED CC#CCN1C[C@H]2C(NC(=O)CCC(=O)NCCCOC)[C@@H]2C1 1115104167 RKGYDWYUMNJFKZ-ZIAGYGMSSA-N 321.421 -0.011 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)[C@H]3CCN(C(C)=O)C3)[C@@H]2C1 1115178599 LUUJICIPWSIBET-RRFJBIMHSA-N 319.405 -0.449 30 20 DBED C=CCCN1C[C@H]2[C@H](NC(=O)CCCN3C(=O)CNC3=O)[C@H]2C1 1115219258 UNDWLLXRGKKCSY-JYAVWHMHSA-N 320.393 -0.059 30 20 DBED C=CCO[C@H](C)C(=O)NC1[C@H]2CN(Cc3nncn3C)C[C@H]12 1115331687 BWLQPARRMGYEKK-WOPDTQHZSA-N 305.382 -0.047 30 20 DBED C=CCS(=O)(=O)CCn1nnnc1N(C)C[C@H](C)OC 1120196002 IZVOVIYXQZUNLN-JTQLQIEISA-N 303.388 -0.255 30 20 DBED N#CCSCC(=O)NC[C@H](CO)Nc1cncc(C#N)n1 1121085783 BNQAUPQRNLFUJC-SNVBAGLBSA-N 306.351 -0.506 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H](CO)Nc1cccc(F)n1 1121352805 FJSQMOADRICXJB-SNVBAGLBSA-N 308.313 -0.751 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)Cn2cncn2)cn1 1121535383 BRCCDZSPXFHPJR-GFCCVEGCSA-N 301.310 -0.866 30 20 DBED Cc1cc(C#N)nc(N[C@@H](CO)CNC(=O)[C@]2(C)CCOC2)n1 1121914380 NUZUAGNOCKGSDH-IUODEOHRSA-N 319.365 -0.028 30 20 DBED C[C@@H]1CCO[C@@H]1C(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1 1122584891 NRCBDHYFVYSDFF-BREBYQMCSA-N 305.338 -0.916 30 20 DBED C[C@@H](C#N)C(=O)N(C)C[C@H](O)CNc1nc[nH]c2ncnc1-2 1124190975 JGDKNWPYZCYKLB-DTWKUNHWSA-N 303.326 -0.305 30 20 DBED C=C[C@](C)(O)CC(=O)NCCNCC[C@@H]1CCS(=O)(=O)C1 1126366582 WXAQZLLWNKADQO-OCCSQVGLSA-N 318.439 -0.156 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)[C@@H]1CCN(C)[C@@H]1C 1127685280 LPUFZWIGEVLONI-ZIAGYGMSSA-N 323.441 -0.205 30 20 DBED N#CCNCc1nnc2n1CC[C@@H](NC(=O)c1cc[nH]n1)CC2 1127943406 CJYZDIJQDCJIIL-JTQLQIEISA-N 314.353 -0.251 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cc2c([nH]1)CCOC2 1129234785 BYVIDJUNHBUNFD-UHFFFAOYSA-N 304.350 -0.844 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H](C)CCOC)C1 1129445859 XPILABKJAXCMEO-MCIONIFRSA-N 305.382 -0.075 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)COCCOCC)C1 1129470005 AIWXEHJGMZUJMO-KGLIPLIRSA-N 323.397 -0.141 30 20 DBED CC#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)CCCC(N)=O)C1 1129484867 MFVLICFSYVPKIO-OLZOCXBDSA-N 318.381 -0.702 30 20 DBED C#CCOCCC(=O)N1C[C@@H]2C[C@@H]3CN(CCCO)C[C@]2(C1)O3 1131227383 NMPPQMWQURNSIY-ZMSDIMECSA-N 322.405 -0.290 30 20 DBED C=C(C)CN1C[C@H]2C[C@@H]3CN(C(=O)CCNC(N)=O)C[C@@]3(C1)O2 1131289321 JZKUEERIUHUCQD-XJKCOSOUSA-N 322.409 -0.077 30 20 DBED C[C@H]1CCN(C(=O)c2ccc(=O)n(C)n2)C[C@@H]1CNCC#N 1133292162 BUBYMFIIWIDLKU-RYUDHWBXSA-N 303.366 -0.008 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)CCn1ccnn1 1134194362 SEBXPEXGCZCMOO-CHWSQXEVSA-N 320.397 -0.710 30 20 DBED C=CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)c1cn(C)nn1 1134298819 MPAMSVUIJZCKLI-GHMZBOCLSA-N 308.386 -0.396 30 20 DBED CC#CCN[C@H](C)C[C@H](C)NC(=O)CCCS(N)(=O)=O 1135326647 YXHQVDJTHODDKA-NEPJUHHUSA-N 303.428 -0.049 30 20 DBED CCn1nc(C)c(CC(=O)NCCNCC(=O)NCC#N)c1C 1148223093 QJFFCACPSGRSPC-UHFFFAOYSA-N 320.397 -0.592 30 20 DBED C[C@H](C(=O)NC[C@H]1CN(CC#N)CCCO1)S(C)(=O)=O 1149903192 KYOPJERIWVHDIJ-MNOVXSKESA-N 303.384 -0.850 30 20 DBED C#CCN1CCC(C(=O)NCCNCc2cncn2C)CC1 1152334532 GNJGBGNVSXJUGQ-UHFFFAOYSA-N 303.410 -0.029 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cccc2nc(O)oc12 1153905810 JZLQRESUNAUPKV-UHFFFAOYSA-N 316.317 -0.398 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)NCCCNC(=O)c1cocn1 1155735688 HDULNBSAGGTMBY-SNVBAGLBSA-N 323.353 -0.216 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1ncc(F)cc1F 1161078480 XQPGEFFUJSISDX-UHFFFAOYSA-N 310.304 -0.181 30 20 DBED C=CCNC(=O)CNCCCNC(=O)c1ccc(C(N)=O)o1 1162189146 OIHGLEWCWPJCTP-UHFFFAOYSA-N 308.338 -0.610 30 20 DBED COCC1(CNC(=O)Cn2nccn2)CCN(CC#N)CC1 1162288713 YZHIWEIHXLVRNT-UHFFFAOYSA-N 306.370 -0.354 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1cnc(C)nc1C 1168689811 YGZNWTQAZOOWKM-UHFFFAOYSA-N 303.366 -0.448 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@@H]1CCC[C@@H](N(C)C)C1 1171161593 OXZLPSOMFLCTFV-HUUCEWRRSA-N 322.453 -0.048 30 20 DBED N#CCNC(=O)CNCCCNC(=O)c1c[nH]c2ncccc12 1176357010 AZFOFLCNGKJZRD-UHFFFAOYSA-N 314.349 -0.088 30 20 DBED C#CCOCCC(=O)N1CC[C@H]2OCCN(CCOC)[C@H]2C1 1177012846 MZLZLBAFYKUSHT-LSDHHAIUSA-N 310.394 -0.026 30 20 DBED CC#CCN1CCO[C@@H]2CCN(C(=O)CC(=O)N(C)C)C[C@H]21 1177106999 LGRKRVLJKGKGTG-ZIAGYGMSSA-N 307.394 -0.210 30 20 DBED C=CCCO[C@@H](C)C(=O)N1CC[C@@H](NCc2nc(=O)n(C)[nH]2)C1 1181475906 KESJPBIIZRBBNK-NWDGAFQWSA-N 323.397 -0.220 30 20 DBED C=CCOCC(=O)N1CC[C@@H](N[C@H](C)C(=O)NC(=O)NC)C1 1181624405 FRXDCLFWMMMEFC-GHMZBOCLSA-N 312.370 -0.776 30 20 DBED N#CCNC(=O)CN[C@@H]1CCN(C(=O)CC[C@H]2CCOC2)C1 1181935702 OMNZQCOKEATUKB-QWHCGFSZSA-N 308.382 -0.367 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](CNCCCO)[C@@H](C)C1 1184241569 MXKCVMRWRFRTEU-UONOGXRCSA-N 309.410 -0.418 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2cc[n+]([O-])cc2)C1 1188727077 OHVZLQPMYJUTQD-AWEZNQCLSA-N 316.361 -0.784 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@H](N(C)CCN2CCNC2=O)C1 1190106428 TZENLWIYALBLFY-KGLIPLIRSA-N 322.409 -0.417 30 20 DBED COc1ncc(CN2C[C@@H](O)[C@H](NC(=O)[C@@H](C)C#N)C2)c(C)n1 1191854458 NCLVSQWWMIDCEQ-ZWKOPEQDSA-N 319.365 -0.385 30 20 DBED C#CCCCCC(=O)N[C@@H]1CN(CC(=O)NCC2CC2)C[C@H]1O 1192290754 SVCDLYLLEYIOAZ-HUUCEWRRSA-N 321.421 -0.133 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)CN(CC)CC)C1 1192960045 MFUJQORXOBDIDY-AWEZNQCLSA-N 308.426 -0.390 30 20 DBED C=C(C)CCC(=O)N[C@@H]1CN(CCN2CCNC2=O)C[C@H]1O 1193399901 FOGLKZZJKICGRU-CHWSQXEVSA-N 310.398 -0.471 30 20 DBED CCO[C@@H](CC)C(=O)N1CCCN(CC(=O)NCC#N)CC1 1195116438 RTZYOGOLYSOZLA-ZDUSSCGKSA-N 310.398 -0.024 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)[C@@H]2COCCN2C)CC1 1195514629 JCZMAUGKYZPTKQ-AWEZNQCLSA-N 324.425 -0.847 30 20 DBED C#CCNC(=O)CC(=O)N1CCCN(Cc2ccnn2C)CC1 1195535166 KMVNFTNYWCRXSD-UHFFFAOYSA-N 317.393 -0.406 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)N(C)CC(F)(F)F)C1 1195580763 KCELAUYPQFJLJC-GMTAPVOTSA-N 307.316 -0.337 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)CO[C@H](C)c2nccn2C)C1 1198234355 VKFOBKMXOICBAV-MGPQQGTHSA-N 320.393 -0.318 30 20 DBED C=C[C@H](CC(=O)N[C@@H]1CN(CC(N)=O)C[C@H]1O)c1ccccc1 1198917543 LRMOCZCQIBJVRP-BPLDGKMQSA-N 317.389 -0.007 30 20 DBED CCc1cc(C(=O)N[C@@H]2CN(CC#CCOC)C[C@H]2O)nn1C 1199467577 UXMVSDHOTWQVST-HUUCEWRRSA-N 320.393 -0.593 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)[C@@H]2CCCN2C)CC1 1199788423 PWFRCJVYTUCJAY-AWEZNQCLSA-N 306.410 -0.589 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)[C@@H]2CCCN2C)CCCO1 1200123016 KHZVGKSRHHXUOB-CVEARBPZSA-N 323.437 -0.063 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)CCNC(=O)NC)CCCO1 1200429599 VADQIEJCAWJSNM-CYBMUJFWSA-N 310.398 -0.464 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)Cn2cccn2)[C@H](C)C1 1205977922 HHIHHTCGSMVTTA-MGPQQGTHSA-N 317.393 -0.543 30 20 DBED C=CCNCC1CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)CC1 1206508040 VNWRMPWWFLKHMF-ZDUSSCGKSA-N 310.398 -0.619 30 20 DBED CC[C@H](C)OCC(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1206878360 JYJOUKAOKMMBMO-FRRDWIJNSA-N 310.398 -0.122 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(CC(=O)NC2CC2)C[C@H]1C 1206959962 MFGZOHCAHDCYRY-TZMCWYRMSA-N 307.394 -0.259 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)c2cnns2)C1 1207506899 MFNCKVUROUTUPU-JTQLQIEISA-N 307.379 -0.518 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)[C@@H](C)n2cncn2)C1 1207830382 ZVKUKYSAWWAXQU-OLZOCXBDSA-N 318.381 -0.831 30 20 DBED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)C[C@@H]1C=CCC1 1211825859 YQYAANRAWUMABJ-MGPQQGTHSA-N 320.393 -0.202 30 20 DBED CO[C@@H]1CN([C@H]2CCN(C)C2=O)C[C@H]1NC(=O)C#CC(C)C 1212240713 BGEVKOHOSMIZJO-HZSPNIEDSA-N 307.394 -0.308 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CCCCO2)C[C@H]1C 1214441586 NOZDLVMRGVRPCM-MGPQQGTHSA-N 307.394 -0.259 30 20 DBED C#CCCN[C@@H]1CN(C(=O)c2nc(O)nc(O)c2OC)C[C@H]1C 1216374732 NCEFCTCBBJKYQO-NXEZZACHSA-N 320.349 -0.030 30 20 DBED C[C@@H]1CN(C(=O)C[C@@H]2CCCOC2)C[C@H]1NCC(=O)NCC#N 1216764548 CECIVHDBKVPFDT-HZSPNIEDSA-N 322.409 -0.121 30 20 DBED C=CCn1cccc1C(=O)N[C@@H]1CN(CCOCCO)C[C@@H]1O 1219807083 ZJFZGSLOOXSSPP-HIFRSBDPSA-N 323.393 -0.542 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)c2cnco2)C1 1220097482 PEZKUQZMWFQKCU-MXWKQRLJSA-N 308.338 -0.860 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)C2(CC)CCC2)C1 1220194346 MCHQXZYNACUVOX-MCIONIFRSA-N 321.421 -0.134 30 20 DBED C=C(C)C[C@H](C)C(=O)N[C@@H]1CN(CCN2CCNC2=O)C[C@@H]1O 1220201274 KQTRSOPFLCWXPF-MJBXVCDLSA-N 324.425 -0.225 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)COCc2cccnc2)C1 1220864428 LVTKQJCFOVADNH-CABCVRRESA-N 303.362 -0.217 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@H](c2cccnc2)N(C)C)C1 1221102412 SPSTYVAZPITWIR-ILXRZTDVSA-N 302.378 -0.521 30 20 DBED C=CCNC(=O)[C@H](C)N1CC[C@@H]2CN(C(=O)CC(=O)NC)[C@@H]2C1 1221505004 XOQVGUGRPDZVQN-YNEHKIRRSA-N 322.409 -0.654 30 20 DBED CN1CC[C@H](C(=O)N2C[C@H]3CCN(CC(=O)NCC#N)C[C@H]32)C1 1222013572 GLTYEFFLJLUNLR-HZSPNIEDSA-N 319.409 -0.889 30 20 DBED COCC#CCN1CCS(=O)(=O)[C@@H](CCNC(C)=O)C1 1230403717 FDZYJPVWBAQJGF-ZDUSSCGKSA-N 302.396 -0.739 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@H]1CN(C)C(=O)C1=COCCO1 1230654184 LVKBWQCQGKTHSN-OLZOCXBDSA-N 321.377 -0.455 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC[C@@H]1CN(C)C(=O)c1ncn(C)n1 1234058194 GXNCPSZOIGXRPC-VXGBXAGGSA-N 320.397 -0.348 30 20 DBED C#C[C@H](C)N(C)C(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1 1255933340 JFCONVRGJFHSPT-QMMMGPOBSA-N 313.335 -0.863 30 20 DBED C[C@@]1(C(N)=O)CCN(C(=O)C(=O)NCC#Cc2ccccc2)C1 1256949519 XIPDIKFRRINXPV-QGZVFWFLSA-N 313.357 -0.122 30 20 DBED C=CCN(C(=O)C(=O)NC[C@H]1COCCO1)[C@H](C)COC 1261687579 PUCUQZQQXJTECG-NEPJUHHUSA-N 300.355 -0.433 30 20 DBED C#CCN(C(=O)C(=O)N1CCC2(CCNC2=O)CC1)C(C)C 1262535040 XHCPRSGEKBVQCZ-UHFFFAOYSA-N 305.378 -0.015 30 20 DBED N#CCNC(=O)CN(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1319649364 RIQDBGLGBZBIBS-VXGBXAGGSA-N 315.395 -0.706 30 20 DBED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1cccc2c1CNC2=O 1323042512 QWCOMMDIZILMFY-SNVBAGLBSA-N 315.329 -0.241 30 20 DBED C=C(C)COCCNC(=O)C(=O)N[C@@H]1CCN(CCOC)C1 1323246412 NAUINWBTGWTSMH-CYBMUJFWSA-N 313.398 -0.468 30 20 DBED CCc1cc(CNC(=O)C(=O)N2CC[C@](O)(CC#N)C2)on1 1326098120 JZPLBIVYQLWAFX-CQSZACIVSA-N 306.322 -0.270 30 20 DBED C#Cc1cccc(CNC(=O)C(=O)NCC(=O)NCC2CC2)c1 1327757434 IYIQYAICYJEUHP-UHFFFAOYSA-N 313.357 -0.074 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CC[C@@](F)(C#N)C2)nn1 1328106621 FPQPUXSBCHZTOW-CYBMUJFWSA-N 306.301 -0.456 30 20 DBED COC[C@@H](CNC(=O)C(=O)NCCc1ccc(C#N)cc1)OC 1328162503 QAMYLPOUYCVQDB-CQSZACIVSA-N 319.361 -0.005 30 20 DBED N#CCC1(CNC(=O)C(=O)NCc2nc(C(N)=O)cs2)CC1 1328179524 WHAMYWXBABXDOE-UHFFFAOYSA-N 321.362 -0.332 30 20 DBED C=CCCSCCNC(=O)C(=O)N1CC(NC(=O)OC)C1 1328237961 ZKAKUODAYJDDDZ-UHFFFAOYSA-N 315.395 -0.021 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N[C@H]2CCO[C@H](C)C2)nn1 1332045677 QRNRJRHYWZQROI-MNOVXSKESA-N 307.354 -0.236 30 20 DBED N#CCN1CCC(NC(=O)C(=O)N2C[C@H]3CC[C@@H](O)[C@H]3C2)CC1 1334489688 SZBWJFFRZCSJMW-KWCYVHTRSA-N 320.393 -0.680 30 20 DBED C=CCOCCn1nnnc1N1CCN(c2ncccn2)CC1 1337242123 LQCUZUTUFUZNRY-UHFFFAOYSA-N 316.369 -0.008 30 20 DBED N#CCCCS(=O)(=O)NC(=O)c1cccn2c(O)nnc12 1338038641 YLGMOMFUAHXCBH-UHFFFAOYSA-N 309.307 -0.202 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCC[C@H](C2OCCO2)C1 1342446090 PBZNHTYVGHDVTE-LBPRGKRZSA-N 310.350 -0.636 30 20 DBED COC(=O)C[C@@H]1CCCN1C(=O)C(=O)N1CC[C@](O)(CC#N)C1 1345974707 YEYJGPNBDHQZQO-XHDPSFHLSA-N 323.349 -0.582 30 20 DBED O=C(C#CC1CCNCC1)N1CC[C@H]2CS(=O)(=O)C[C@@H]2C1 1349621126 OSQZSXWWKPMFIP-KBPBESRZSA-N 310.419 -0.118 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)NCCn1cnnc1CC 1352521173 KENYBASXUUMREP-GFCCVEGCSA-N 321.381 -0.499 30 20 DBED Cn1c(=O)[nH]c(N2CCc3nc(N)sc3C2)c(C#N)c1=O 1363132941 GTSKRAIHEXMERU-UHFFFAOYSA-N 304.335 -0.453 30 20 DBED COCCN(CCC#N)S(=O)(=O)NCc1cn(C)nc1C 1364845432 VFCZVDWNXCJBQU-UHFFFAOYSA-N 315.399 -0.075 30 20 DBED C[C@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)[C@@H](C)n1cncn1 1372822996 IHWXIKOZGUKQJZ-NXEZZACHSA-N 315.337 -0.026 30 20 DBED COC[C@H](O)CN1CCOC[C@@H]1CNC(=O)c1cc(C#N)c[nH]1 1380813382 LNSWSVZKHIOTDD-QWHCGFSZSA-N 322.365 -0.676 30 20 DBED C[C@@H](CNC(=O)[C@H](C)C#N)NC(=O)c1cc(C(N)=O)ccn1 1387086087 NCVYHPFJMOGIAS-BDAKNGLRSA-N 303.322 -0.425 30 20 DBED C=C(Cl)CN1C[C@@H]2C[C@H]1CN2C(=O)CS(=O)(=O)NC 1391538377 WSIUVCDDCFOMIK-UWVGGRQHSA-N 307.803 -0.427 30 20 DBED C=C(Cl)CN1CC(O)(CNC(=O)c2cc3n(n2)CCO3)C1 1393320428 SOQSQGHZOXPXHT-UHFFFAOYSA-N 312.757 -0.196 30 20 DBED C=C(Cl)CNC[C@H](O)CN(C)C(=O)C1CN(C(C)=O)C1 1394735430 WUSXKFJORHCGBQ-LBPRGKRZSA-N 303.790 -0.374 30 20 DBED C=C(Br)CNC[C@@H](O)CNC(=O)[C@@H]1COCCO1 1406186966 KBSKSWQUMVCYKF-ZJUUUORDSA-N 323.187 -0.623 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1 1407225915 KIXUZMIUFYTKGO-ZJUUUORDSA-N 303.322 -0.398 30 20 DBED CCc1nnc(C)cc1C(=O)NC[C@@H](O)CNC(=O)[C@@H](C)C#N 1410129730 LCRCXEOVOSKMMO-ONGXEEELSA-N 319.365 -0.286 30 20 DBED CCC[C@@H](NC(N)=O)C(=O)NCC1(NC(=O)[C@@H](C)C#N)CC1 1410785077 WFDUBJCDKZGHGZ-VHSXEESVSA-N 309.370 -0.252 30 20 DBED CC(C)(C)OC(=O)N1CCN(C(=O)Cn2ncnn2)[C@H](C#N)C1 1411981090 QJGDENXCNLAPMN-SNVBAGLBSA-N 321.341 -0.355 30 20 DBED CC(C)(CO)[C@H](NC(=O)Cn1cc(C#N)c(O)nc1=O)C1CC1 1413206463 ZBCZOVGSTXWWGK-GFCCVEGCSA-N 320.349 -0.266 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@@H](CNC(=O)c2cnc(O)n2C)C1 1414208905 FKPDHLDMDIVXRW-LPEHRKFASA-N 305.338 -0.090 30 20 DBED C[C@H](C#N)C(=O)NC1CN(C(=O)[C@H]2CCCCS2(=O)=O)C1 1416045740 HGADNHUAVRGOMI-MWLCHTKSSA-N 313.379 -0.560 30 20 DBED N#Cc1cc(C(=O)NC[C@H](O)CNC(=O)[C@H]2CCCO2)c[nH]1 1416726994 YBHKZJMZCSZOIO-NWDGAFQWSA-N 306.322 -0.728 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN([C@H](C)C(=O)NC(C)(C)C)C1 1421419331 QUSSMLHTNPJUJA-GHMZBOCLSA-N 310.398 -0.388 30 20 DBED C[C@H](C#N)C(=O)N1CCC(O)(CNCc2ncnn2C)CC1 1424548499 NCHDTTPUJYVJHC-LLVKDONJSA-N 306.370 -0.582 30 20 DBED COCC1(CC(=O)N(C)C[C@H](O)CNC(=O)[C@@H](C)C#N)CC1 1425784169 JDPZGLDDXWGDCR-NWDGAFQWSA-N 311.382 -0.102 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H](C)CNC(=O)CCS(C)(=O)=O 1426693222 CDZGFDVZEPTHRG-VHSXEESVSA-N 303.384 -0.456 30 20 DBED C[C@@H](C#N)C(=O)NCC[C@H]1CCCCN1C(=O)Cn1cnnn1 1431153721 RSWNHDZJSXPQOD-NWDGAFQWSA-N 319.369 -0.280 30 20 DBED CSC[C@@](C)(O)CNC(=O)Cn1cc(C#N)c(O)nc1=O 1433735444 WAWVQIJPUOXLCI-LBPRGKRZSA-N 312.351 -0.949 30 20 DBED COCn1cc(NC(=O)Cn2cc(C#N)c(O)nc2=O)cn1 1434118319 ZWAICJBLCPMYJH-UHFFFAOYSA-N 304.266 -0.740 30 20 DBED N#Cc1ccc(S(=O)(=O)NCCN2CCNC2=O)s1 1434623686 KRTYUMPUTACUFM-UHFFFAOYSA-N 300.365 -0.077 30 20 DBED N#Cc1cc(C(=O)N2CC(NC(=O)CNC(=O)C3CC3)C2)c[nH]1 1456213172 PWZMCCJYICKMCJ-UHFFFAOYSA-N 315.333 -0.647 30 20 DBED C=C(Br)CNC[C@H](O)CNC(=O)[C@@H]1CCN(C)C1 1482790651 GXDWPKZWJVXGPK-MNOVXSKESA-N 320.231 -0.087 30 20 DBED C#CCCCC(=O)N[C@H]1CCN(CCN2C(=O)CNC2=O)C1 1494702146 IRYYWIOVITXOOA-LBPRGKRZSA-N 306.366 -0.468 30 20 DBED CCOCC(=O)NC[C@@]1(O)CCN(C(=O)c2ccc(C#N)[nH]2)C1 1506778903 TYRCJWZFCBFKNF-HNNXBMFYSA-N 320.349 -0.384 30 20 DBED C[C@H](CNC(=O)Cn1ncnn1)N(C)C(=O)c1cc(C#N)c[nH]1 1508880340 XHFKVBGZHXHBAW-SECBINFHSA-N 316.325 -0.850 30 20 DBED C[C@@H](C(=O)N(C)c1cc(C#N)ccn1)n1cnc(-c2nn[nH]n2)n1 1570923460 YSXUJGWADDEPFZ-QMMMGPOBSA-N 324.308 -0.051 30 20 DBED N#CC1(CC(=O)N[C@H](Cn2cncn2)C(=O)O)CCOCC1 1571095997 IEGJGXHCHUHREI-SNVBAGLBSA-N 307.310 -0.442 30 20 DBED CC(=O)N1CCN(c2cnc(-c3nn[nH]n3)c(C#N)n2)[C@@H](C)C1 1573451434 WDXJDSXRSXCPFY-QMMMGPOBSA-N 313.325 -0.415 30 20 DBED CC#CC[C@@H](N)C(=O)Nc1cccc(C(=O)NCC(N)=O)c1 1574969541 KLBSSAYBGXPGEP-GFCCVEGCSA-N 302.334 -0.419 30 20 DBED C#CC[C@@H](CO)NC(=O)c1ccc(-c2nn[nH]n2)cc1OC 1588332107 VUYUIUJOYSIPRB-JTQLQIEISA-N 301.306 -0.011 30 20 DBED C#CCN(CC(=O)O)C(=O)CN1C(=O)c2ccccc2C1=O 1588402276 PMXQAAKOERKVFO-UHFFFAOYSA-N 300.270 -0.171 30 20 DBED C=C(C)CS(=O)(=O)N(CCN1CCN(C)CC1)CC(=O)O 1588576839 BKURFYBIFQQJLC-UHFFFAOYSA-N 319.427 -0.474 30 20 DBED C=C(CCC(=O)O)C(=O)NCCN1CCS(=O)(=O)CC1 1588624560 NFQJUSPIOANPQM-UHFFFAOYSA-N 304.368 -0.746 30 20 DBED CC#CC[C@@H](CO)NS(=O)(=O)c1cccnc1-c1nn[nH]n1 1588737432 DTGBPSPAFYBFLK-VIFPVBQESA-N 322.350 -0.686 30 20 DBED CC(C)[C@@H](C(=O)O)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1588803893 KYKOVWATHOTODK-OPQQBVKSSA-N 314.363 -0.260 30 20 DBED COC(=O)CN(CC#N)C(=O)c1ccc(-c2nn[nH]n2)c(C)n1 1591267068 JSYXFMOKCXLXNF-UHFFFAOYSA-N 315.293 -0.291 30 20 DBED Cc1cc(NC(=O)C(=O)NC[C@@H](C)C(=O)O)n(CCC#N)n1 1594315085 WOCLZHZCUVAOAS-MRVPVSSYSA-N 307.310 -0.119 30 20 DBED Cn1cc(C#N)c(NC(=O)NCCC(=O)NCCC(=O)O)n1 1600927325 CJRWNJVAHMSSFR-UHFFFAOYSA-N 308.298 -0.606 30 20 DBED N#Cc1cccc(NC(=O)CN2[C@H](C(=O)O)CCS2(=O)=O)c1 1601120887 RBPNWVLRRFFPKI-NSHDSACASA-N 323.330 -0.015 30 20 DBED C#CCN(C(=O)C(=O)N1CC[C@@]2(CC(C(=O)O)=NO2)C1)C(C)C 1602711680 OOGGPXZOVOYIQX-OAHLLOKOSA-N 321.333 -0.311 30 20 DBED C=CCNC(=O)CNS(=O)(=O)[C@H]1CCCC[C@H]1C(=O)O 1602901826 XSXUVUQMIRZXOJ-ZJUUUORDSA-N 304.368 -0.149 30 20 DBED C=CCn1cc(C(=O)N2CC(NC(=O)[C@@H]3C[C@@H]3C(=O)O)C2)nn1 1602937590 AZYLUBRJEYLYRE-ZJUUUORDSA-N 319.321 -0.875 30 20 DBED N#Cc1c[nH]ccc1=NCCN(CCO)C(=O)[C@H]1C[C@@H]1C(=O)O 1608223235 WCLZTOCWEKROBY-RYUDHWBXSA-N 318.333 -0.671 30 20 DBED CN(CCC#N)C[C@@H](O)CNC[C@H]1COC2(CCOCC2)O1 1645857976 WKYTYCHSDZOWHZ-KBPBESRZSA-N 313.398 -0.296 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)c2ccc(C#C)nc2)C1 1665588377 HJJXEHJNYVWIPU-OAHLLOKOSA-N 310.357 -0.384 30 20 DBED C=C(C)CN(CC)C(=O)CN1CCC[C@H](NC(=O)CC(N)=O)C1 1692120632 IBPBHIFZHDYPHT-ZDUSSCGKSA-N 324.425 -0.133 30 20 DBED CN(CC#N)CCCNC(=O)c1coc(S(N)(=O)=O)c1 1752005479 XCFIVIFCXSEANO-UHFFFAOYSA-N 300.340 -0.498 30 20 DBED C=C(C)CNC[C@@H]1CCN(C(=O)Cn2nc(C)n(C)c2=O)C1 1752957668 DHRCDAKTONJRJD-ZDUSSCGKSA-N 307.398 -0.096 30 20 DBED CN(CCNCc1ccc(C#N)c(F)c1)C(=O)Cn1cnnn1 1753169239 XNQAOBHJRUYUHT-UHFFFAOYSA-N 317.328 -0.068 30 20 DBED C=CCN1CC[C@@H](CCNC(=O)C[C@H](NC(C)=O)C(N)=O)C1 1753337242 JSCGJHSPLHBOLR-OLZOCXBDSA-N 310.398 -0.619 30 20 DBED C#CCNC(=O)CNC[C@@H](C)NC(=O)C[C@H](C)n1ccc(C)n1 1754237506 JHEPYLMSQLBYIU-KGLIPLIRSA-N 319.409 -0.014 30 20 DBED COCC#CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)CNC(=O)C(C)(C)C 1754431833 VORLXAGYOFKXSE-IPYPFGDCSA-N 321.421 -0.013 30 20 DBED C=CCn1cc(C(=O)NCC2(NCC#N)CCOCC2)nn1 1754740800 OBYBFBCRZZOKKV-UHFFFAOYSA-N 304.354 -0.144 30 20 DBED C=CCCN1CC(O)(CNC(=O)[C@]2(C)CCCS2(=O)=O)C1 1754775511 AGNWNNVIRBHANY-ZDUSSCGKSA-N 316.423 -0.307 30 20 DBED O=C(C#CC1CC1)N[C@]1(CO)CCCN([C@@H]2CCCNC2=O)C1 1754856843 SFRFKIGJWBRWOU-RHSMWYFYSA-N 319.405 -0.379 30 20 DBED Cn1cnc2c(C(=O)N(CCO)CCNCC#N)ccnc21 1754891786 XXIHJXDBIJWSQT-UHFFFAOYSA-N 302.338 -0.484 30 20 DBED C=C(Cl)CNCCN(CCO)C(=O)[C@@H]1CN(CC)CCO1 1754898287 XSUWQNYZNKHRHT-ZDUSSCGKSA-N 319.833 -0.130 30 20 DBED C#CCCN1CCOC[C@H]1CNC(=O)[C@@]1(C)CCNC(=O)C1 1754968276 ACPQCDPFGOUNHW-CJNGLKHVSA-N 307.394 -0.257 30 20 DBED C#CCNC(=O)CN[C@H](C)[C@H](C)NC(=O)c1ncc(OC)cn1 1755242989 GODIIZDCGCQCPE-MNOVXSKESA-N 319.365 -0.669 30 20 DBED C#CCNC(=O)CN1CC(CCO)(NC(=O)c2cncs2)C1 1755330137 IQIYDTDCQOBNRZ-UHFFFAOYSA-N 322.390 -0.941 30 20 DBED C=CCCC(=O)NC1(CCO)CN([C@H](C)c2nnnn2C)C1 1755330792 TXUBFUAJVWUMIZ-LLVKDONJSA-N 308.386 -0.210 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)Cc2cc[nH]n2)[C@@H]1C 1755649800 BTDWGYWKLPPZMQ-YPMHNXCESA-N 303.366 -0.719 30 20 DBED C=CCCC(=O)N[C@@H](C)C1CN(C(=O)c2nnc(O)nc2O)C1 1756129983 JNXMKOCBSWPZPZ-QMMMGPOBSA-N 321.337 -0.174 30 20 DBED N#CCSCC(=O)NC[C@H](CO)NC(=O)[C@@H]1C[C@H]1C1CC1 1756503934 SDKLDCNHGGVSJZ-GRYCIOLGSA-N 311.407 -0.117 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@H](CO)NC(=O)c1nc(C)c[nH]1 1756515417 LMVHNMHMVSBBID-IINYFYTJSA-N 310.354 -0.748 30 20 DBED C#CCOCCC(=O)N[C@H]1C[C@H](C)N(C(=O)CCCC(N)=O)C1 1756591748 HMCZHUYSDUTCOV-STQMWFEESA-N 323.393 -0.213 30 20 DBED C=C1CC(C)(C(=O)NC[C@@H](O)CN(C)C(=O)c2ncn(C)n2)C1 1756660114 BDCPHNUIUBGMGT-LLVKDONJSA-N 321.381 -0.280 30 20 DBED O=C(Cn1cnnn1)NCC1=CCN(C(=O)C#CC2CC2)CC1 1756757018 NZLVVXDSBZHDTG-UHFFFAOYSA-N 314.349 -0.639 30 20 DBED C=CCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)NC(C)=O)C2)C1 1783181732 NJTIZHGZXMCIFB-LRDDRELGSA-N 323.393 -0.083 30 20 DBED CC(=O)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)S)C2)C1 1783890145 PEXXSJMBEJSKQP-GXFFZTMASA-N 300.380 -0.276 30 20 DBED N#CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncon1)C2 1795083502 CHKUGANGUTXZJD-DOFRTFSJSA-N 305.294 -0.814 30 20 DBED CCOCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)S)C2 1795213078 BYTQQMNQBRWUHS-KQXIARHKSA-N 316.423 -0.069 30 20 DBED CC(=O)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC#N)C2 1800510935 DFLLXLLJDBWKIM-JJLQDPRZSA-N 322.365 -0.984 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)c1nc[nH]n1)C2 1841599756 LFRHOKVFOKFJEE-NSHDSACASA-N 317.349 -0.340 30 20 DBED C[C@H]1C(=O)NCCN1C(=O)CNC(=O)c1ccc(C#N)cc1 104892382 KNWBXJPKIHIRCX-JTQLQIEISA-N 300.318 -0.365 30 20 DBED CN(CC(=O)N[C@@](C)(C#N)C1CC1)C[C@@H](O)CN1CCOCC1 246296302 BLEMIADZKQMGOV-ZBFHGGJFSA-N 324.425 -0.580 30 20 DBED C/N=C(/NCCO)N1CCS(=O)(=O)C2(CCCCC2)C1 262802215 RJHQEEDCTIGCOX-UHFFFAOYSA-N 303.428 -0.013 30 20 DBED COC(=O)c1cc(S(=O)(=O)N2CCN(CC#N)CC2)c[nH]1 266237760 ZETWNPRINCSMQR-UHFFFAOYSA-N 312.351 -0.369 30 20 DBED C=CCn1c(SCC(=O)N[C@@H]2CCSC2=O)n[nH]c1=O 270483404 PXACFLRBRQSVOS-SSDOTTSWSA-N 314.392 -0.002 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C)CC2(C)C)C1=O 270956170 WKUBCJJGYKPYQF-UHFFFAOYSA-N 322.365 -0.484 30 20 DBED N#Cc1ccccc1S(=O)(=O)NCCN1CCNC(=O)C1 272633881 BHEYRABUTOYXTQ-UHFFFAOYSA-N 308.363 -0.732 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N1CCN(CC)C(=O)C1 273434293 VARCPDZIFLJCNX-UHFFFAOYSA-N 303.384 -0.539 30 20 DBED C#CCOc1cccc(NC(=O)C(=O)N2C[C@@H](O)C[C@H]2CO)c1 276050340 KBEOOSGVUISIEJ-STQMWFEESA-N 318.329 -0.409 30 20 DBED CCOC(=O)CO/N=C(/C(=O)NCCCOC)c1cc[nH]n1 276506712 ILPPTQVNVPMVGY-SFQUDFHCSA-N 312.326 -0.154 30 20 DBED CNC(=O)NCCC(=O)N1CCN(c2cc(C#N)ccn2)CC1 292504473 STBDLUJQDPQBTF-UHFFFAOYSA-N 316.365 -0.079 30 20 DBED CN1CCC[C@@]2(CCN(c3c(C#N)c(=O)n(C)c(=O)n3C)C2)C1 292833014 PVDQEBVLKYAGSY-MRXNPFEDSA-N 317.393 -0.122 30 20 DBED CNC(=O)CN(C)C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 299309176 RXRBXAYEIHTKQN-UHFFFAOYSA-N 324.362 -0.959 30 20 DBED COC(=O)C[C@H]1C(=O)NCCN1C(=O)Cc1ccc(C#N)cc1 299601843 NWCHANWYAFCWIU-ZDUSSCGKSA-N 315.329 -0.009 30 20 DBED CN1CCN(C)[C@H](C/N=C(/O)N2CCO[C@]3(CCOC3)C2)C1 329873955 CNPQJLUXPJIXGC-UKRRQHHQSA-N 312.414 -0.363 30 20 DBED C[C@H](N/C(O)=N/CCNS(C)(=O)=O)[C@@H](C)N1CCOCC1 330632579 IFQKBNILGGABBI-WDEREUQCSA-N 322.431 -0.852 30 20 DBED C=CCN1CCC(/N=C(/O)N2CC[C@@H](S(N)(=O)=O)C2)CC1 331043972 FMABIYKYOYCENM-GFCCVEGCSA-N 316.427 -0.086 30 20 DBED C[C@H](N/C(O)=N/CCNS(=O)(=O)N(C)C)c1cnn(C)c1 331240347 PPUZQWVAJASFPG-VIFPVBQESA-N 318.403 -0.619 30 20 DBED C[C@H](C(=O)N(C)CCC#N)N1CCC2(CC1)NC(=O)N(C)C2=O 331559332 GKDUZSUEQINEOI-LLVKDONJSA-N 321.381 -0.237 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[C@@H](NC(=O)NC)C1 336934109 DNYNMTSYDFATAW-GHMZBOCLSA-N 317.415 -0.284 30 20 DBED N#C[C@@H]1CSCCN1C(=O)CCN1CCCS1(=O)=O 342076349 OUGFHQNZGUYIKG-SNVBAGLBSA-N 303.409 -0.120 30 20 DBED C=C[C@@H](C)NC(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 342160499 ZVPGDXJXGNAUFZ-SNVBAGLBSA-N 322.369 -0.767 30 20 DBED Cc1cc(C(=O)NCC(=O)NCC#N)c2c(C)nn(C)c2n1 343563926 ZOLILGMGHBTYJY-UHFFFAOYSA-N 300.322 -0.045 30 20 DBED CC[C@H](C#N)NC(=O)[C@H]1OCC(=O)N(C)[C@H]1c1cnn(C)c1 348454653 MWNCVSWCKMWNOQ-WXHSDQCUSA-N 305.338 -0.263 30 20 DBED Cc1cc(NC(=O)C(=O)N[C@@H](CO)CC(C)C)nn1CCC#N 349283999 QEJFAOBIOPYRRQ-GFCCVEGCSA-N 321.381 0.567 30 20 DBED CC[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N(C)C 349572410 HPMRLVXDNMFGQE-SNVBAGLBSA-N 311.429 -0.168 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@H](C)N(C)C[C@@H]2C)C1=O 352003806 MUYHRTBBROVGTN-QWRGUYRKSA-N 322.365 -0.486 30 20 DBED N#Cc1ncn(CCNC(=O)CN2C(=O)c3ccccc3C2=O)n1 356323573 RGTLLLNSCUHDAI-UHFFFAOYSA-N 324.300 -0.438 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(C)c2ccn(C)n2)C1=O 358444846 QPXWHVIAPVEKJK-UHFFFAOYSA-N 305.294 -0.640 30 20 DBED C=CCNC(=O)CN1CCC[C@H](N2CCCS2(=O)=O)C1 364864194 BQINPJOOJICTAE-LBPRGKRZSA-N 301.412 -0.212 30 20 DBED C[C@@H]1CN(S(=O)(=O)N(C)CCC#N)CCN1CC(C)(C)O 408439632 SYILBTMVNAEWNU-GFCCVEGCSA-N 318.443 -0.146 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCN2C2CC2)CC1 491179321 FBVUBCMNZSCYIG-HNNXBMFYSA-N 318.421 -0.493 30 20 DBED N#Cc1ncn(CCNC(=O)N2CCO[C@@H]([C@@H]3CCCO3)C2)n1 588215785 DVDDTWQBQRYBTP-NWDGAFQWSA-N 320.353 -0.261 30 20 DBED C[C@H](O)[C@H]1CCCN1C(=O)C(=O)N1CCN(CCC#N)CC1 601508827 VELSBGZRVCYDJP-QWHCGFSZSA-N 308.382 -0.584 30 20 DBED CN(C(=O)C(=O)N1CCN(CCC#N)CC1)C1CCNCC1 601583355 PGSNKOYTTLCEQM-UHFFFAOYSA-N 307.398 -0.745 30 20 DBED C[C@@]1(CNC(=O)C(=O)N2CCN(CCC#N)CC2)CCCO1 602247897 VPVVYBIDONJOIZ-HNNXBMFYSA-N 308.382 -0.270 30 20 DBED CCOCCS(=O)(=O)NCC(=O)N[C@]1(C#N)CCSC1 610712545 CKKFEWWRKWRWGA-NSHDSACASA-N 321.424 -0.542 30 20 DBED N#CCC1(O)CN(C(=O)CCc2ccc(S(N)(=O)=O)cc2)C1 619444135 UIRSXHWPOXRQSF-UHFFFAOYSA-N 323.374 -0.246 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@@H](C)[C@](C)(CO)C2)C1=O 620450374 CHCCBEAHPUBEDB-BMIGLBTASA-N 323.349 -0.560 30 20 DBED C#CCNC(=O)[C@@H](C)OC(=O)c1ccc(-c2nn[nH]n2)cn1 735381135 MHASPAGMZGJFMR-MRVPVSSYSA-N 300.278 -0.444 30 20 DBED Cc1ccc(C#N)cc1NC(=O)C(=O)NCCS(C)(=O)=O 737238891 YAWNWVNDKIMQAJ-UHFFFAOYSA-N 309.347 -0.034 30 20 DBED CC(=O)N1CCN(C(=O)COC(=O)c2cc(C#N)c[nH]2)CC1 748222974 QADJAUDURZQAOY-UHFFFAOYSA-N 304.306 -0.266 30 20 DBED C#CCOCCNC(=O)COCC(=O)NCc1cccnc1 753233353 XIWSOFCFSUOHNL-UHFFFAOYSA-N 305.334 -0.520 30 20 DBED C#C[C@@H](NC(=O)c1ccc(=O)n(CCOC)n1)[C@H]1CCCO1 772886589 GIYHMUCJBWPTQK-DGCLKSJQSA-N 305.334 -0.200 30 20 DBED C=CCNS(=O)(=O)c1ccc(C(=O)NOCCO)cc1 776581722 KPLIOFKOJOKYCI-UHFFFAOYSA-N 300.336 -0.195 30 20 DBED COC[C@H](C#N)OC(=O)CNS(=O)(=O)CCOC(C)C 785353570 DPPUWSCFRXGWDB-JTQLQIEISA-N 308.356 -0.587 30 20 DBED COC(CN(CCCO)S(=O)(=O)N(C)C[C@H](C)C#N)OC 800112833 DVMUGDGEOUOVBK-LLVKDONJSA-N 323.415 -0.374 30 20 DBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC(=O)N(C)C[C@@H]1C 814180289 FQFWNPDFXLMPTH-OBJOEFQTSA-N 323.393 -0.227 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCC[C@@H](C(=O)O)C1)[C@@H]1CCCO1 817112025 PUDGHEURVKOSJA-WOPDTQHZSA-N 308.334 -0.393 30 20 DBED CCOC(=O)CON=C(C(=O)N1CCO[C@@H](C)C1)c1cc[nH]n1 818510739 SVUKOHNXWIPIBL-JTQLQIEISA-N 324.337 -0.059 30 20 DBED CCO[C@@H]1CC(=NNC(=S)NCC(N)=O)[C@]12CCCO2 819807898 MNHJMTRSLHRQGE-BXKDBHETSA-N 300.384 -0.350 30 20 DBED C#CCOCCC(=O)N1CCN(S(=O)(=O)NC(C)C)CC1 837700618 MOCZFDBHTLVUJB-UHFFFAOYSA-N 317.411 -0.587 30 20 DBED C#CCN(C)CCCNC(=O)c1cn(C[C@H]2CCOC2)nn1 861838038 OSRODHKNHRIUOQ-CYBMUJFWSA-N 305.382 -0.001 30 20 DBED C#CCN1CCC[C@@H](NC(=O)NCC2(S(C)(=O)=O)CC2)C1 884311965 RSAZFFFPZKLYNG-GFCCVEGCSA-N 313.423 -0.040 30 20 DBED C#CC1(O)CN(C(=O)[C@](C)(O)CN2Cc3ccccc3C2=O)C1 890525311 QQLTVSKDAIEGGU-MRXNPFEDSA-N 314.341 -0.400 30 20 DBED C#C[C@H](NC(=O)C(=O)NC[C@@H]1CCCCCN1)[C@@H]1CCCO1 911148634 YWELOHUUIQSBCX-IHRRRGAJSA-N 307.394 -0.068 30 20 DBED C=CCNC(=O)CNC(=O)[C@H]1CC(c2cn(C)nc2C)=NO1 935267036 FHDUIHUVOAKJPT-GFCCVEGCSA-N 305.338 -0.360 30 20 DBED C[C@H](C#N)C(=O)N1CCCC[C@H]1CNC(=O)c1nnn(C)n1 937467151 OTQXBNVOEMXKOQ-ZJUUUORDSA-N 305.342 -0.519 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)[C@@H]3COCCO3)C2)[nH]1 940061277 ZUYDFJFXARXMOE-YPMHNXCESA-N 318.333 -0.368 30 20 DBED N#Cc1cc(C(=O)N2CC[C@@H](NC(=O)[C@@H]3COC(=O)N3)C2)c[nH]1 940238315 IOXUGLRYFKIKKY-KOLCDFICSA-N 317.305 -0.675 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C2CN(Cc3cnn(C)n3)C2)CC1 941347700 BAWKCHTWMSDGOL-LBPRGKRZSA-N 317.397 -0.697 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](NC(=O)c2cc(C(N)=O)co2)C1 942418616 RINXAQZDJDRYRA-WCBMZHEXSA-N 304.306 -0.131 30 20 DBED O=C(NC[C@H]1CN(C(=O)C#CC2CC2)CCO1)c1csnn1 944680338 BXFKQICGQDYGHT-NSHDSACASA-N 320.374 -0.091 30 20 DBED C=CCCn1cc(C(=O)N[C@H]2CCN(CC(N)=O)[C@H](C)C2)nn1 947795809 IDIHRZZGVODSJQ-NEPJUHHUSA-N 320.397 -0.078 30 20 DBED O=C(N[C@H]1CCCN(C(=O)C#CC2CC2)C1)[C@H]1COCCO1 950752378 AISLJKBRPQCXFJ-UONOGXRCSA-N 306.362 -0.078 30 20 DBED C=C(C)CN1C[C@@H](O)[C@@H](CNC(=O)c2cn(CCOC)nn2)C1 958064440 SYMSWMYPDPIALR-GXTWGEPZSA-N 323.397 -0.477 30 20 DBED CC(=O)Nc1cccnc1C(=O)NC[C@@H]1CN(CC#N)C[C@@H]1O 958126280 LFFUMMLOTFSVDY-YPMHNXCESA-N 317.349 -0.414 30 20 DBED C=CCN1C[C@H](CNC(=O)c2ccc3nc(O)[nH]c3n2)[C@@H](O)C1 958344053 DRMFOZXLBMZASI-CABZTGNLSA-N 317.349 -0.128 30 20 DBED C=C(C)CN1C[C@@H](O)[C@@H](CNC(=O)c2cc(C(N)=O)c[nH]2)C1 958525598 INESLDHPAXRSPP-WCQYABFASA-N 306.366 -0.288 30 20 DBED N#Cc1ccc(C(=O)NC2[C@@H]3CN(CC(=O)NC4CC4)C[C@@H]23)[nH]1 958602193 VQBAXRSWPNTBOI-VXGBXAGGSA-N 313.361 -0.175 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CN(C(=O)c3cn(C)nn3)C[C@H]2C1 961501403 PDHWRJDUACZQQY-GARJFASQSA-N 302.338 -0.495 30 20 DBED CN1CC[C@@H](C(=O)NC[C@H]2COCCN2C(=O)C#CC2CC2)C1 964194615 YLVFFQJVERXNEX-CABCVRRESA-N 319.405 -0.305 30 20 DBED CCc1n[nH]cc1C(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1O 968684271 YKDLPOMTYIISRH-AXTRIDKLSA-N 305.338 -0.567 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H]2C[C@H](NC(=O)Cn3nccn3)C2)c1 973144634 NOJPPUGNDSWWRI-XYPYZODXSA-N 313.321 -0.445 30 20 DBED C=C(C)CN1C[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C(C)(C)C1 974597475 FHTONRLNHFPINH-LLVKDONJSA-N 320.397 -0.220 30 20 DBED CC(C)(C)n1nnc(C(=O)NCC2[C@H]3CN(CC#N)C[C@H]23)n1 978204594 DBGFWMLTDLVMIG-GHMZBOCLSA-N 303.370 -0.141 30 20 DBED C#CCN1CCCN(C(=O)[C@H]2CC(=O)N(CCOC)C2)CC1 981275576 BQEKAKGILSBDGW-AWEZNQCLSA-N 307.394 -0.351 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)c2cnn(C)c2N)[C@H]1C 987672540 NOJRPHKJOSJZSH-NGZCFLSTSA-N 304.354 -0.119 30 20 DBED CC(=O)N1CC(C(=O)N[C@H]2CCN(C(=O)[C@@H](C)C#N)[C@@H]2C)C1 987737342 ZGKPIKYQKQENDB-CWSCBRNRSA-N 306.366 -0.270 30 20 DBED CC#CCN1CC[C@]2(NC(=O)[C@@H]3CC(=O)NC(=O)N3)CCC[C@@H]12 992289964 LUMKGHJXMKLFGE-HWWQOWPSSA-N 318.377 -0.279 30 20 DBED N#CCN1CC[C@@]2(NC(=O)Cn3c(O)nnc3O)CCC[C@@H]12 992442343 CAKDYQLEFYFCOZ-RNCFNFMXSA-N 306.326 -0.674 30 20 DBED N#CCN[C@@H]1CCC[C@H]2CN(C(=O)CN3CCOCC3=O)C[C@H]21 992703039 AHOVNVQZEDJCMG-BFHYXJOUSA-N 320.393 -0.415 30 20 DBED N#Cc1ccc(C(=O)N2CC(NC(=O)c3csnn3)C2)[nH]1 996593127 UUAWPGIKLRARFH-UHFFFAOYSA-N 302.319 -0.008 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)c2cc[n+]([O-])cc2)C1 999986176 DFUHIRARIGPACG-KGLIPLIRSA-N 317.345 -0.148 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C(N)=O)[nH]1 1002092267 ZGWLAVMFYZQXMI-IEBDPFPHSA-N 301.306 -0.767 30 20 DBED C=CCN1CC[C@@H](N2CC[C@H](NC(=O)C3=COCCO3)C2)C1=O 1010019517 HGVIEUBRAWYDGI-QWHCGFSZSA-N 321.377 -0.148 30 20 DBED CN1C[C@@H](C(=O)N2CCN(C(=O)C#CC3CC3)CC2)NC1=O 1011107412 FRIIIHCWFTXYJQ-LBPRGKRZSA-N 304.350 -0.906 30 20 DBED C=C(Cl)CN1CC[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)C1 1015989515 RGPAJCLLUFRNCQ-SECBINFHSA-N 322.756 -0.026 30 20 DBED C=CCN[C@H]1CCN(C(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 1019215577 FIJUCALMTDHSNA-JTQLQIEISA-N 302.342 -0.316 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@H](NCc3nnnn3C)C2)cn1 1019673750 IVUPVDDULZHIJU-ZDUSSCGKSA-N 311.349 -0.409 30 20 DBED C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C1 1021065805 MUMRNWDRSCWVRN-OPRDCNLKSA-N 307.803 -0.333 30 20 DBED O=C(N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O)[C@H]1CCCOC1 1023187621 BTFBUAPCDJMNQP-BFHYXJOUSA-N 306.362 -0.486 30 20 DBED C#CCN1CCC(C(=O)NC[C@H]2CCCN(CC(N)=O)C2)CC1 1023761740 ICCKVMBIRXFNSU-CQSZACIVSA-N 320.437 -0.355 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)[C@H]1COC(=O)N1 1026423592 YZDRAOOGHMHWSQ-YUSALJHKSA-N 305.334 -0.529 30 20 DBED CN(CC#N)[C@H]1CCCN(C(=O)c2cn(C)c(=O)n(C)c2=O)C1 1027601451 ZXTLVUMKKXFCPV-NSHDSACASA-N 319.365 -0.856 30 20 DBED O=C1NC[C@@H](C(=O)NCC2CN(CC#Cc3ccccc3)C2)N1 1031944770 DYXMRROKVSTDFF-HNNXBMFYSA-N 312.373 -0.233 30 20 DBED C#CCN1CC[C@@H](N(C)C(=O)[C@@H]2CC(=O)N(CCOC)C2)C1 1033128352 KKYFVVRSPQALPL-ZIAGYGMSSA-N 307.394 -0.353 30 20 DBED C#CCN1CCO[C@H](CNC(=O)c2cnc3n2CCOC3)C1 1035412219 NDXYNNNZDXLKIM-GFCCVEGCSA-N 304.350 -0.523 30 20 DBED C=CCN1CC[C@@H]2CN(C(=O)CN3C(=O)CNC3=O)CC[C@H]21 1036888438 IVFMQFHFJPUETP-VXGBXAGGSA-N 306.366 -0.353 30 20 DBED C#CCCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1cc(C(N)=O)cn1C 1037487226 OAHOTLFTVMSYPL-SCDSUCTJSA-N 300.362 -0.050 30 20 DBED CC#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1NC(=O)NC1=O 1039388056 YDBGDKMQZZGSGD-AGIUHOORSA-N 318.377 -0.327 30 20 DBED N#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H]1NC(=O)NC1=O 1039468183 XNOSKXQBGHLREU-GRYCIOLGSA-N 319.365 -0.437 30 20 DBED CN(C)CCCC(=O)N1CC[C@](O)(CNC(=O)C#CC2CC2)C1 1039681341 ZGNHQTSKYZRRDV-KRWDZBQOSA-N 321.421 -0.179 30 20 DBED N#Cc1cncc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCCCO3)C2)n1 1040977251 ZNIRFVROHKZHGP-UPJWGTAASA-N 317.349 -0.417 30 20 DBED CC(F)(F)CC(=O)N1CC(O)(CNC(=O)CSCC#N)C1 1041571378 XQJFGGZXKOEXOB-UHFFFAOYSA-N 321.349 -0.022 30 20 DBED C#CCCN1CC[C@]2(CCN(C(=O)C[C@H]3CC(=O)NC3=O)C2)C1 1041860869 KPLZWBUBHLYMLN-DYVFJYSZSA-N 317.389 -0.013 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2cnc(C)[nH]2)C1 1042083323 UUCLSXYSCBLMDW-JTQLQIEISA-N 322.365 -0.388 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(O)CN(C(=O)c2cc(C)[nH]n2)C1 1042806563 HZBRLDJFYGGITG-CQSZACIVSA-N 322.365 -0.652 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)C2(C(F)F)CC2)C1 1043053796 MPHAIILESPFXSU-MRVPVSSYSA-N 301.293 -0.119 30 20 DBED C#Cc1ccc(C(=O)N(C)C2CN(Cc3nc(O)n[nH]3)C2)nc1 1044203034 HSYFCGHWJVOQEI-UHFFFAOYSA-N 312.333 -0.157 30 20 DBED C=C(C)CCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCC(=O)N2)C1 1044265749 NXZMOMXSSMEASB-NSHDSACASA-N 309.366 -0.689 30 20 DBED C#CCN1CCC(C(=O)N(C)[C@H]2CN(CCF)C[C@@H]2O)CC1 1047638485 UVTXZLNSICJQNL-GJZGRUSLSA-N 311.401 -0.195 30 20 DBED C#CCOCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2ccco2)C1 1048049403 AWFQFKGAIAHQSK-STQMWFEESA-N 320.345 -0.037 30 20 DBED CC(C)[C@@H](C(=O)N(C)[C@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1O)N(C)C 1048985770 ZLKUGTWVDORCOS-XUXIUFHCSA-N 324.425 -0.238 30 20 DBED C#CCN1C[C@H]2CN(C(=O)[C@H](C)CN3CCOCC3)C[C@H]2C1 1049215938 QLJNBDUDPLOTEF-OAGGEKHMSA-N 305.422 -0.022 30 20 DBED CCc1n[nH]cc1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)C#N)C1 1049388324 JLWSRTNYPZSZOZ-XDTLVQLUSA-N 319.365 -0.225 30 20 DBED C=CCOCC(=O)N[C@H](C)[C@@H]1CCN(C(=O)c2cnnn2C)C1 1050593900 DIUQYQFTMLWACX-VXGBXAGGSA-N 321.381 -0.016 30 20 DBED CC(=O)N1CCC[C@@H](C(=O)NC[C@@H]2COCCN2CC#N)C1 1051008541 XREVDIPFOVLINN-ZIAGYGMSSA-N 308.382 -0.415 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)[C@H]1C[C@H](OC)CN1C(C)=O 1051045436 ZWCCBCGNFNPCBY-SOUVJXGZSA-N 323.393 -0.928 30 20 DBED Cn1nnc2c1C[C@H](C(=O)NC[C@@H]1COCCN1CC#N)CC2 1051089005 ZQZAUEFTYRJANX-VXGBXAGGSA-N 318.381 -0.739 30 20 DBED C[C@@]1(C(=O)N2CC[C@H](N3CCN(CC#N)CC3)C2)CNC(=O)C1 1052057181 MSWWVVAMLXTBAZ-BBRMVZONSA-N 319.409 -0.745 30 20 DBED C[C@@H](C(=O)N1CCOC2(CN(CC#N)C2)C1)c1ccnn1C 1053259939 TZNIMUBXDOYMHG-GFCCVEGCSA-N 303.366 -0.040 30 20 DBED C=CCN1CC2(CC[C@H](CNC(=O)C3CS(=O)(=O)C3)O2)C1 1053604431 FXOHHGFQMAZJSO-GFCCVEGCSA-N 314.407 -0.433 30 20 DBED CCN1CCOC[C@H]1C(=O)NC[C@H]1CCC2(CN(CC#N)C2)O1 1053620992 YUCVRQLMTBZQGM-KGLIPLIRSA-N 322.409 -0.420 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)C[C@H]3CCC(=O)NC3)CO2)C1 1053826669 HKAYOMAHZZQKTL-KGLIPLIRSA-N 319.405 -0.115 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)c3cnn4c3OCCC4)CO2)C1 1053858417 GHIZWLJSMVVBPW-GFCCVEGCSA-N 316.361 -0.128 30 20 DBED C=CCN1CC2(C[C@H](NC(=O)C3CCN(C(N)=O)CC3)CO2)C1 1054004347 MSKCYZUFKWEAJM-ZDUSSCGKSA-N 322.409 -0.077 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)Cn3ccccc3=O)CO2)C1 1054004555 PYFBNMPVFZWYOU-CQSZACIVSA-N 315.373 -0.169 30 20 DBED C=CCCn1cc(C(=O)N[C@@]2(CO)CCCN(C(C)=O)C2)nn1 1055963088 ODELYPFDYGLAAG-HNNXBMFYSA-N 321.381 -0.043 30 20 DBED C[C@@H](C#N)C(=O)N[C@@]1(CO)CCCN(C(=O)CC(=O)N(C)C)C1 1056097408 PRAQHEPBHYTOFC-NHYWBVRUSA-N 324.381 -0.906 30 20 DBED Cn1nccc1C(=O)N[C@H]1[C@@H]2CN(c3ccc(C#N)nn3)C[C@@H]21 1056140161 YXZUOWOSKDJPFX-YABSGUDNSA-N 309.333 -0.054 30 20 DBED N#Cc1ccc(N[C@@H]2CCN(C(=O)CCn3cnnn3)C2)nn1 1056686744 ZDMHFDLUGDCELF-LLVKDONJSA-N 313.325 -0.562 30 20 DBED C=CCCCC(=O)NCCN(CCO)C(=O)CS(C)(=O)=O 1057125344 KTQGGVBCRZWWOG-UHFFFAOYSA-N 320.411 -0.676 30 20 DBED C=C[C@](C)(O)CC(=O)N(CCO)CCNC(=O)c1cocn1 1057449688 GELYPZRKOCWUAY-AWEZNQCLSA-N 311.338 -0.448 30 20 DBED CC(=O)N[C@@H](C)C(=O)NCCN(CCO)C(=O)C#CC(C)C 1057517334 QPVVSOJHAHRRNP-LBPRGKRZSA-N 311.382 -0.893 30 20 DBED Cn1cc(C(=O)NCCN(CCO)C(=O)C#CC2CC2)cn1 1057531203 IPGWLRHZOJBYDJ-UHFFFAOYSA-N 304.350 -0.616 30 20 DBED C=CC(C)(C)C(=O)NCCN(CCO)C(=O)Cc1n[nH]c(C)n1 1057541323 UTXJDUXNWDXGEE-UHFFFAOYSA-N 323.397 -0.195 30 20 DBED C#CCOCCC(=O)N(CCO)CCNC(=O)CCCF 1057584031 CQJFJDVGPXFMBL-UHFFFAOYSA-N 302.346 -0.287 30 20 DBED N#Cc1ccc(N[C@H]2CCCN(C(=O)[C@@H]3CCNC3=O)C2)nn1 1057724347 GEZBCSMFOOMLMF-NWDGAFQWSA-N 314.349 -0.113 30 20 DBED N#Cc1nccc(N2CCC(NC(=O)[C@H]3CNC(=O)N3)CC2)n1 1057934355 YUIVHVQGRGJVJK-SNVBAGLBSA-N 315.337 -0.885 30 20 DBED CCOCC1(C(=O)N(CCO)CCNC(=O)[C@H](C)C#N)CC1 1057941212 LROORPOWRKWPJM-GFCCVEGCSA-N 311.382 -0.100 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N 1057961403 WKXDQBMDNFNABI-KBPBESRZSA-N 320.393 -0.819 30 20 DBED COCCOCCC(=O)N(CCO)CCNC(=O)[C@H](C)C#N 1057981293 XGCNSWXHBAZOCQ-GFCCVEGCSA-N 315.370 -0.864 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)CCCC(N)=O 1057989388 MSHUDOWQZPJILX-UHFFFAOYSA-N 311.382 -0.617 30 20 DBED CN1C[C@@H](C(=O)N[C@H]2CCN(c3cnc(C#N)cn3)C2)NC1=O 1058504047 DYIAYSNMSMZZHT-ONGXEEELSA-N 315.337 -0.933 30 20 DBED N#Cc1cccnc1N1CC[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 1058531078 GQAKNWQZPHXYNU-WDEREUQCSA-N 300.322 -0.670 30 20 DBED C=CC(C)(C)C(=O)NCCN(CCO)C(=O)c1c[nH]c(=O)cn1 1058603517 ZWCFGQXCPVOOTE-UHFFFAOYSA-N 322.365 -0.467 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)C[C@@H]1CCC(=O)N1C 1058660568 CPRVPSRHHHOKCS-RYUDHWBXSA-N 324.381 -0.906 30 20 DBED N#Cc1nccnc1N1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cncn1 1058759227 UFVJNCMKLABCQX-TXEJJXNPSA-N 324.348 -0.180 30 20 DBED C=CCOCC(=O)N1CCOC[C@H]1CNC(=O)[C@@H](C)COC 1061416968 SCPBNMIPUVWRRI-QWHCGFSZSA-N 314.382 -0.185 30 20 DBED Cc1ncncc1C(=O)N1CCOC[C@H]1CNC(=O)[C@@H](C)C#N 1061848489 ZBROOWPRTJVRJZ-CMPLNLGQSA-N 317.349 -0.098 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)CCc1cnn[nH]1 1061853211 QQEZAAWJSISIQU-ZYHUDNBSSA-N 320.353 -0.759 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)CN2CCOCC2)CCC1 1062821191 NDORPGFWQDLTNM-GFCCVEGCSA-N 308.382 -0.367 30 20 DBED C#CCO[C@@H](C)C(=O)NC1(CNC(=O)c2nc[nH]n2)CCC1 1063996722 CEXSTDLXPYWNHL-JTQLQIEISA-N 305.338 -0.388 30 20 DBED C=CCCC(=O)N1CC2(C1)CN(C(=O)[C@@H](C)NC(C)=O)CCO2 1068289036 VMCFNVSTDLJOLE-GFCCVEGCSA-N 323.393 -0.083 30 20 DBED CN1CC[C@@H](C(=O)NCc2cnn3c2CN(CC#N)CC3)C1=O 1069870439 UDIZDGVAOPTZGU-LBPRGKRZSA-N 316.365 -0.683 30 20 DBED C=C[C@H](C)[C@H](C)C(=O)NC1(CNC(=O)C(N)=O)CCOCC1 1070205059 DDSQVECCYCDXSY-QWRGUYRKSA-N 311.382 -0.289 30 20 DBED C#CCN1CC[C@@]2(C1)CN(C(=O)c1cnnn1C)C[C@@H](C)O2 1071167232 VPDMMUNXIMNANS-IUODEOHRSA-N 303.366 -0.246 30 20 DBED C=CCN1CCC2(C1)CN(C(=O)Cn1cnc(C(N)=O)n1)C2 1072752345 GNGCHTZTKNZRHP-UHFFFAOYSA-N 304.354 -0.903 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)c2cc(=O)n(C)cn2)C1 1073642402 MIJGTBHKLNUSHY-LBPRGKRZSA-N 304.350 -0.766 30 20 DBED C#CCCN1CCCO[C@H](CNC(=O)c2cn(C)c(O)n2)C1 1073755812 KAKXECWESCJXSO-GFCCVEGCSA-N 306.366 -0.030 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)c3cn(C)ccc3=O)C[C@@H]21 1074292682 ZFSIOKQBOWOVFW-HOCLYGCPSA-N 315.373 -0.066 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(C(=O)CNC(C)=O)[C@@H](C)C1 1074893286 BLCIUSDJZVQNEN-WCQYABFASA-N 311.382 -0.179 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)COCC1CC1 1075727743 CUKDITZBAPKVRE-LBPRGKRZSA-N 323.393 -0.437 30 20 DBED Cn1cnn(CCC(=O)N2CC[C@H]3CN(CC#N)C[C@H]32)c1=O 1076085072 ZLNZVYGYYXKNQG-NWDGAFQWSA-N 304.354 -0.972 30 20 DBED C#CCO[C@H](C)C(=O)NCC[C@H](C)NC(=O)Cn1cnnc1O 1076510149 FCYVWJXVIPRABX-WDEREUQCSA-N 323.353 -0.967 30 20 DBED C#CCC1(C(=O)NCC[C@H](C)NC(=O)CC(N)=O)CCOCC1 1076832761 XNAUNTBRAMVWRI-LBPRGKRZSA-N 323.393 -0.307 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2cnn3c2C[C@H](C)CC3)C1 1078089999 AIBAGQIAUSNPMW-UXIGCNINSA-N 302.378 -0.127 30 20 DBED CC(C)S(=O)(=O)CC(=O)N[C@@H](C)CCNC(=O)[C@H](C)C#N 1078133511 MVWIZUIAPOSSQL-MNOVXSKESA-N 317.411 -0.020 30 20 DBED C#CCNC(=O)CC(=O)N(CC)C1CN(C(=O)[C@H](O)C(C)C)C1 1079644689 OWEMEQGXALJNGN-OAHLLOKOSA-N 323.393 -0.798 30 20 DBED C=CCOCC(=O)N1CC(N(CC)C(=O)Cn2cnnc2O)C1 1079649067 VDYUSECFUGMLQI-UHFFFAOYSA-N 323.353 -0.754 30 20 DBED CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)CN2CCOCC2=O)C1 1080419680 FBNSUOLRDWMBPO-NSHDSACASA-N 322.365 -0.936 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(N(CC)C(=O)Cc2nc[nH]n2)C1 1080593767 NLBZKBCOCSSGCS-LLVKDONJSA-N 319.365 -0.555 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2oncc2C)C[C@@H]1O 1081344708 UAKIEOQPBXDDFL-NEPJUHHUSA-N 323.349 -0.265 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(C(=O)c2cncnc2)C[C@@H]1O 1081472563 ZJTWSOGMYMJZHY-KBPBESRZSA-N 314.345 -0.561 30 20 DBED C=C(C)C(C)(C)C(=O)NC[C@H]1CN(C(=O)CC(N)=O)C[C@@H]1O 1081640911 SFBXGJYJKQPWEO-QWRGUYRKSA-N 311.382 -0.600 30 20 DBED C#CCN1C[C@H]2CC[C@H]1[C@H]1CN(C(=O)c3nnn(C)n3)C[C@@H]21 1087380405 UGRIUVOEBSTJJW-VOAKCMCISA-N 300.366 -0.374 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)CN2CCNC(=O)C2)[C@H]1CC 1087684569 APMTUZHWRXXMTQ-UONOGXRCSA-N 308.426 -0.037 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)c1cn(C)nn1)N=c1cc[nH]c(C#N)n1 1089291198 LUSXROSWPBGWTL-VHSXEESVSA-N 314.353 -0.092 30 20 DBED C=CCN1CC[C@@H](NC(=O)c2cc(C)c(C(N)=O)cn2)[C@@H](O)C1 1090574709 WIODEHXEXXUFHH-OCCSQVGLSA-N 318.377 -0.160 30 20 DBED COCCOCC(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1C 1090687994 QMQKAPHMWNSOQL-VXGBXAGGSA-N 319.365 -0.048 30 20 DBED CNC(=O)c1ccc(C(=O)N[C@H]2CCN(CC#N)C[C@@H]2O)cn1 1090734886 RPKHYYINRQHKEP-AAEUAGOBSA-N 317.349 -0.870 30 20 DBED C[C@H](CC(N)=O)C(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@@H]1O 1091174597 MPMMINKOHSYRJE-WQAKAFBOSA-N 317.349 -0.870 30 20 DBED C=CCn1cc(C(=O)NCC2CC(N[C@H]3CCNC3=O)C2)nn1 1091271747 YLINCBNDXCKQND-MCIGGMRASA-N 318.381 -0.549 30 20 DBED Cc1cc(C#N)nc(N(C)CCOCCN(C)C(=O)C(N)=O)n1 1091901394 UXXQQIITZRPJTQ-UHFFFAOYSA-N 320.353 -0.947 30 20 DBED N#Cc1cnc(N2CCN(C(=O)CNC(N)=O)CC2)c(Cl)c1 1093132595 JCZSRDOJVGRBQU-UHFFFAOYSA-N 322.756 -0.076 30 20 DBED CNC(=O)NCC(=O)NC1CCN(c2cnc(C#N)cn2)CC1 1095449578 HYLKRBUNNNRULE-UHFFFAOYSA-N 317.353 -0.638 30 20 DBED CN(CCCNC(=O)CN1CCOCC1)c1ccc(C#N)nn1 1095526129 XPPZMICEHXSSST-UHFFFAOYSA-N 318.381 -0.377 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CCN(c2ccc3nnnn3n2)C1 1096441898 KNGXDKWXZUHBIL-WDEREUQCSA-N 315.337 -0.748 30 20 DBED Cc1nsc(N[C@@H](C)CNC(=O)Cn2cnnn2)c1C#N 1097695255 BJXRWCOXDKWOEO-ZETCQYMHSA-N 306.355 -0.074 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCCS1(=O)=O)Nc1cncc(C#N)n1 1097883448 MDTQVLREMROZHN-GXSJLCMTSA-N 323.378 -0.158 30 20 DBED C#CCN(CCO)C1CCN(C(=O)CCNC(=O)NC)CC1 1098363012 YNEPHRADBJWHFR-UHFFFAOYSA-N 310.398 -0.776 30 20 DBED C[C@H](CNC(=O)C[C@@H]1NC(=O)NC1=O)Nc1ccc(C#N)nc1 1098377590 HXUUUQWPZMNMAN-KCJUWKMLSA-N 316.321 -0.532 30 20 DBED Cn1cc(C(=O)N2CC[C@@H](n3cc(CNCC#N)nn3)C2)cn1 1098607882 ICSXYYOBWSXJLI-CYBMUJFWSA-N 314.353 -0.288 30 20 DBED N#CCNCc1cn([C@H]2CCN(C(=O)Cc3ccon3)C2)nn1 1098645825 WPAGOZQWNCGROH-ZDUSSCGKSA-N 315.337 -0.105 30 20 DBED C#CCNCc1cn([C@H]2CCN(C(=O)[C@@H](COC)OC)C2)nn1 1098723099 UHBMWJMLCSLJHB-UONOGXRCSA-N 321.381 -0.564 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)c2coc(C)c2)[C@@H](O)C1 1099788115 BQBYBXREWLVYBH-KBPBESRZSA-N 319.361 -0.498 30 20 DBED C=CCCN1CC[C@H](NC(=O)CCCS(N)(=O)=O)[C@@H](O)C1 1099981842 ULTVLXVPDRSNJS-RYUDHWBXSA-N 319.427 -0.817 30 20 DBED C=CCN1CC[C@@H](NC(=O)C(C)(C)NS(C)(=O)=O)[C@H](O)C1 1100026685 GIFYGKNGCOUOTR-GHMZBOCLSA-N 319.427 -0.948 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)Cn2ccnc2C)[C@@H](O)C1 1100110405 VIMAOGQLAIGPHK-GJZGRUSLSA-N 322.409 -0.054 30 20 DBED CN1C[C@@H](C(=O)NCCN(C)c2ccnc(C#N)n2)CCC1=O 1100150650 LWJICVDFMIVBAZ-NSHDSACASA-N 316.365 -0.231 30 20 DBED CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NCCN(C)c1ccc(C#N)nn1 1100347418 HGAQDJFIRSUTGA-NWDGAFQWSA-N 316.365 -0.375 30 20 DBED CCN(CCNC(=O)[C@@H]1CCNC(=O)C1)c1ccnc(C#N)n1 1100499056 TWIWQIWANXFKEF-LLVKDONJSA-N 316.365 -0.183 30 20 DBED CCN(CCNC(=O)C(=O)NCC1CC1)c1nccnc1C#N 1100595743 GEBFUXLOMOCDOS-UHFFFAOYSA-N 316.365 -0.183 30 20 DBED CCCN(CCNC(=O)[C@H](C)NC(N)=O)c1ccnc(C#N)n1 1101139359 ACOCYNGUQDYYEM-JTQLQIEISA-N 319.369 -0.262 30 20 DBED C[C@H](C(=O)N(C)CCN=c1cc[nH]c(C#N)n1)n1cncn1 1101564600 WRRCPUAZUXZSCB-SNVBAGLBSA-N 300.326 -0.507 30 20 DBED C#CCN1C[C@@H](C)[C@H](CNC(=O)CN(C)S(=O)(=O)CC)C1 1102491851 LAEZAJTXTPHERY-CHWSQXEVSA-N 315.439 -0.415 30 20 DBED C[C@@H](CNC(=O)[C@H]1CC(=O)N(C)C1)CNc1nccnc1C#N 1104254761 NFWXKLIMABGIKL-MNOVXSKESA-N 316.365 -0.009 30 20 DBED C#CCCNCc1cn(C2CN(C(=O)Cc3ncc[nH]3)C2)nn1 1105349941 TVUZBLNYCOJALC-UHFFFAOYSA-N 313.365 -0.260 30 20 DBED Cc1cc(CC(=O)NC[C@@H](O)CNc2cncc(C#N)n2)n[nH]1 1105817135 WRSJUQUBQHXLEF-LBPRGKRZSA-N 315.337 -0.489 30 20 DBED C[C@](O)(CC(=O)NC[C@H](O)CNc1nccnc1C#N)C1CC1 1105826788 KIXQKQYIKRWWOT-NHYWBVRUSA-N 319.365 -0.212 30 20 DBED N#Cc1cnc(NC[C@H](O)CNC(=O)c2cnnc(O)c2)cn1 1105993202 IDJSSUSDQURPFU-JTQLQIEISA-N 315.293 -0.953 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)CCc2cnn[nH]2)nc1 1106124032 VWPAHBJSEAPZGR-LBPRGKRZSA-N 315.337 -0.407 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)CCc2cnc[nH]2)nn1 1106150455 URBUOBBHAMAMSO-LBPRGKRZSA-N 315.337 -0.407 30 20 DBED COCC#CCN1CC(n2cc(CNC(=O)CSC)nn2)C1 1107123112 VLCRFAGFXJYQHT-UHFFFAOYSA-N 323.422 -0.236 30 20 DBED C=CCN1CC(n2cc(CNC(=O)[C@@H](CC)NC(C)=O)nn2)C1 1107213439 AWUJMFVIOLADGG-CQSZACIVSA-N 320.397 -0.148 30 20 DBED N#Cc1nc(=NC/C=C/CNC(=O)CCCCC(N)=O)cc[nH]1 1107331476 FKCJBOAKIINQEV-ONEGZZNKSA-N 316.365 -0.100 30 20 DBED N#Cc1cnc(NC/C=C\CNC(=O)C[C@@H]2CCNC2=O)cn1 1107375142 NALCNJFJKCBALN-BVBSBALXSA-N 314.349 -0.041 30 20 DBED CNC(=O)NC(C)(C)C(=O)N[C@H](C)CNc1ccc(C#N)nn1 1107799868 ABJUFCJIEKHJHQ-SECBINFHSA-N 319.369 -0.028 30 20 DBED C[C@H](CNc1ccc(C#N)nn1)NC(=O)C[C@@H]1CCNC1=O 1107979062 YMHGHEPXIAFHLD-ZJUUUORDSA-N 302.338 -0.209 30 20 DBED CC#CCN1CCO[C@](C)(CNC(=O)[C@]2(C)CCNC2=O)C1 1108211906 YPVSBFVXCABDRM-HZPDHXFCSA-N 307.394 -0.257 30 20 DBED CC#CCN1CC(N2C[C@@H](NC(=O)CCCC(N)=O)CC2=O)C1 1108595290 LARODDMXVSZRRQ-LBPRGKRZSA-N 320.393 -0.933 30 20 DBED Cc1cc(C#N)nc(N(C)C[C@@H](C)NC(=O)[C@H](C)NC(N)=O)n1 1108915038 BYUOOXGYXYNZII-ZJUUUORDSA-N 319.369 -0.346 30 20 DBED C[C@@H](CN(C)c1nccnc1C#N)NC(=O)Cn1cncn1 1108960212 KUSZDIPQXPMCGG-JTQLQIEISA-N 300.326 -0.419 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)COC(C)C 1109026782 KLVRDUXGDDYDPS-RDBSUJKOSA-N 307.394 -0.118 30 20 DBED C#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NC(N)=O 1109208177 DCXPKVRMWGKBEF-WOPDTQHZSA-N 306.366 -0.294 30 20 DBED CN(C)CCC(=O)N[C@@H]1[C@H]2C[C@H]1N(c1ccc(C#N)nn1)C2 1109739735 FDULPRLKNLOPDX-JVLSTEMRSA-N 300.366 -0.007 30 20 DBED N#Cc1nc(=NCCN(CCO)C(=O)c2cncnc2)cc[nH]1 1111465710 KXGBSXBQFVOWPC-UHFFFAOYSA-N 313.321 -0.893 30 20 DBED C[C@H]1C[C@@H](NC(=O)CC(N)=O)CCN1c1cncc(C#N)n1 1112461898 FWDSCWDQWGTWBB-UWVGGRQHSA-N 302.338 -0.303 30 20 DBED C#CCNC(=O)CC(=O)N1CCN(Cc2cnns2)CC1 1112777963 URTCJQHZAQBDSG-UHFFFAOYSA-N 307.379 -0.678 30 20 DBED C#CCO[C@H](C)C(=O)N1CCN(CCN2CCNC2=O)CC1 1112846741 XAVKGFKHPQNIBU-CYBMUJFWSA-N 308.382 -0.806 30 20 DBED C[C@H](NC(=O)Cn1cnnn1)[C@@H](C)Nc1cnc(C#N)cn1 1112904632 AWKGZOYZVVHXBN-BDAKNGLRSA-N 301.314 -0.660 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)C[C@H]2CCC(=O)NC2)CC1 1112958828 OJAIGPBIDJPONQ-CYBMUJFWSA-N 322.409 -0.651 30 20 DBED C[C@@H](NC(=O)CN1CCOCC1)[C@@H](C)Nc1ccc(C#N)nn1 1112970625 FYKYXCHJXPEXKW-VXGBXAGGSA-N 318.381 -0.014 30 20 DBED C[C@H](CNC(=O)C(C)(C)C(N)=O)N(C)c1ccnc(C#N)n1 1113741064 GSXARCKGOHNBBX-SECBINFHSA-N 304.354 -0.199 30 20 DBED C=CCOCC(=O)NC1[C@H]2CN(CCS(C)(=O)=O)C[C@H]12 1114053962 JDDSLMZAFXSFLP-QWRGUYRKSA-N 302.396 -0.720 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3n[nH]c(C)c3C)[C@H]2C1 1114060590 MBHQRWIBHYBVMD-JYAVWHMHSA-N 317.393 -0.011 30 20 DBED COC[C@H](O)CN1C[C@@H]2C(NC(=O)c3ccc(C#N)[nH]3)[C@H]2C1 1114145747 VWUXHRLQNVRBFK-WOPDTQHZSA-N 304.350 -0.446 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@H]1[C@@H]2CN(Cc3nncn3C)C[C@@H]21 1114194053 KPTKZWAOJQHYJB-DRABBMOASA-N 305.382 -0.311 30 20 DBED CNC(=O)NC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)C#CC(C)C)[C@H]2C1 1114234040 DQXZFQSGZPAMFM-SRVKXCTJSA-N 320.393 -0.464 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)[C@H](OCC)C3CC3)[C@@H]2C1 1114290877 PANHVOQGKQNVOG-XJKCOSOUSA-N 319.405 -0.403 30 20 DBED C=CCNC(=O)NC(=O)CN1C[C@@H]2C(NC(=O)C3(C)CC3)[C@H]2C1 1114306309 KMKZTSNHXRAELG-QWRGUYRKSA-N 320.393 -0.155 30 20 DBED C[C@@H](CCCNc1cncc(C#N)n1)NC(=O)[C@H]1CNC(=O)N1 1115061661 BFZMLBVDNLVSIA-GXSJLCMTSA-N 317.353 -0.274 30 20 DBED C[C@@H](CN(C)C(=O)[C@@H]1COCCN1C)Nc1nccnc1C#N 1115682667 URJRVXYNYJPIDM-AAEUAGOBSA-N 318.381 -0.062 30 20 DBED C=CCOC[C@H](NC(=O)C[C@H]1C=CS(=O)(=O)C1)C(=O)OC 1116895194 ZKPBCESSPXVQAY-MNOVXSKESA-N 317.363 -0.205 30 20 DBED CN(C)C[C@H]1CCN(C(=O)C(=O)NC2CCN(CC#N)CC2)C1 1116953713 SHYIEHAGSXRJCH-CYBMUJFWSA-N 321.425 -0.499 30 20 DBED CC[C@@H](OC)C(=O)NC[C@H](CO)Nc1nc(C)cc(C#N)n1 1121177564 MPNMUWGUIAWWTA-VXGBXAGGSA-N 307.354 -0.029 30 20 DBED N#Cc1nc(=N[C@H](CO)CNC(=O)C[C@H]2CCCOC2)cc[nH]1 1121600049 XZDKNMOIIXYAOO-NEPJUHHUSA-N 319.365 -0.524 30 20 DBED CN(C)C1(C(=O)NC[C@H](CO)N=c2cc[nH]cc2C#N)CCC1 1122190198 NNVJAXFULKNULH-CYBMUJFWSA-N 317.393 -0.252 30 20 DBED N#Cc1cnc(N[C@@H](CO)CNC(=O)CCn2ccnc2)cn1 1122379724 XJAZMPNLKASORV-GFCCVEGCSA-N 315.337 -0.476 30 20 DBED Cc1nocc1C(=O)NC[C@@H](CO)Nc1nccnc1C#N 1122438672 WHRRVHXTAPTOCL-VIFPVBQESA-N 302.294 -0.153 30 20 DBED C=C1CC(C)(C(=O)NC[C@@H](CO)Nc2ccc3nnnn3n2)C1 1122500989 OITZNZJBURKICB-JTQLQIEISA-N 317.353 -0.235 30 20 DBED Cc1cc(=N[C@@H](CO)CNC(=O)[C@@]23COC[C@@H]2C3)c(C#N)c[nH]1 1122759722 FIYOTGLMGOTDPT-ZENOOKHLSA-N 316.361 -0.391 30 20 DBED CC(C)[C@@H](O)C(=O)N(C)C[C@@H](O)CN=c1cc[nH]c(C#N)n1 1124295569 GFLVYJMQBZRIQO-GXFFZTMASA-N 307.354 -0.982 30 20 DBED COCCN(CCNC(=O)c1cnn[nH]1)c1cncc(C#N)n1 1126561028 AHQNOORKUOSRNI-UHFFFAOYSA-N 316.325 -0.651 30 20 DBED C[C@@H](C#N)C(=O)NCC1=CCN(c2nccn3nnnc23)CC1 1127586829 BZFAKCFYBLQQKR-JTQLQIEISA-N 312.337 -0.068 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)CCCn2ccnn2)C1=O 1129172744 UOLJRDQOAXLYSV-ZDUSSCGKSA-N 320.397 -0.449 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCNCCOC[C@H]1CCCO1 1129770814 LIRGIKCUQPBLDO-CVEARBPZSA-N 323.437 -0.015 30 20 DBED CO[C@H](C)C(=O)NCc1nc([C@@H]2COCCN2CC#N)n[nH]1 1130835037 JDSWRJMNBSWFQL-ZJUUUORDSA-N 308.342 -0.647 30 20 DBED C=CCN[C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1c1cncn1C 1130906194 NVKWYMZXYZOABJ-GHMZBOCLSA-N 306.370 -0.842 30 20 DBED C[C@H]1CC[C@@H](NC(=O)c2csnn2)CN1CC(=O)NCC#N 1132207260 SCSIVGOUDPUHMD-VHSXEESVSA-N 322.394 -0.239 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)Cc1cnn(C)c1 1133893873 VGIKFQRQWCELLF-STQMWFEESA-N 319.409 -0.415 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)Cc1cncnc1)NCC(=O)NCC#N 1134228006 LNWZEFDBPCNDEV-NWDGAFQWSA-N 318.381 -0.468 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1scnc1COC 1135004359 IEUATOMSTWTWIK-SNVBAGLBSA-N 324.406 -0.253 30 20 DBED C=C(C)CN[C@@H](C)C[C@@H](C)NC(=O)CN1C(=O)C(=O)N(C)C1=O 1135592104 CARLGYJTVTVVBI-WDEREUQCSA-N 324.381 -0.144 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC2(CN(C(=O)c3cc[nH]n3)C2)C1 1147030889 APRODGLVVWSPPM-GFCCVEGCSA-N 315.377 -0.305 30 20 DBED COCC#CCN1CCC2(C1)CN(C(=O)[C@H]1C[C@@H]1C(=O)OC)C2 1147173283 KMESPIUWZRQTLX-KBPBESRZSA-N 320.389 -0.020 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)c1nc(C)c[nH]1 1155730148 GCCMGTXEZZZTGM-GFCCVEGCSA-N 305.382 -0.092 30 20 DBED COCC#CCNCCCNC(=O)CCNC(=O)[C@@H]1C[C@H]1C 1159240067 FLYAEQWEKCWDAP-ZIAGYGMSSA-N 309.410 -0.106 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)Cn1nccc1C 1167449776 YIFBVAHIGQRXRZ-CYBMUJFWSA-N 307.398 -0.022 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)CNC(=O)CCC)C[C@@H]21 1176943951 RWZHYSBEMSJMOV-KBPBESRZSA-N 307.394 -0.162 30 20 DBED C=CCN1CCO[C@H]2CCN(C(=O)C(=O)NCC(F)F)C[C@H]21 1177042771 RTNQIAYSOOHYIS-MNOVXSKESA-N 317.336 -0.145 30 20 DBED C#CCNC(=O)CNC[C@]1(C)CN(C(=O)COCC)C[C@H]1C 1180474283 CSMIXMOHQNKMAZ-CZUORRHYSA-N 309.410 -0.154 30 20 DBED C#CCNC[C@H]1CN(C(=O)[C@H]2COC(=O)N2)CC12CCOCC2 1186368725 UTEWRTPGNWTSOV-QWHCGFSZSA-N 321.377 -0.427 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)Cc3cc[nH]n3)[C@@H]2C1 1187419135 WMZRKEXJBQIOCT-GXTWGEPZSA-N 315.377 -0.766 30 20 DBED Cc1nn(C)c(F)c1C(=O)N1CC[C@@H](NCC(=O)NCC#N)C1 1187474617 BCGLDIZAHOUZBE-SNVBAGLBSA-N 322.344 -0.689 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(CCc2cnn(C)c2)C[C@H]1O 1192503836 PAMQEJIJLUPUAD-HUUCEWRRSA-N 304.394 -0.073 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 1194285955 VLWBTOGKSBIVNE-CQSZACIVSA-N 308.426 -0.391 30 20 DBED C=CCN1CCCN(C(=O)CN(C)S(=O)(=O)CC)CC1 1197660245 YGTNQHFIJIWSGL-UHFFFAOYSA-N 303.428 -0.012 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)CCCC(=O)NCCC)C1 1197919686 MLJMAOYDHCGRPV-ZIAGYGMSSA-N 309.410 -0.133 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)CNC(=O)c2ccsc2)C1 1198785392 OHWHHJPPAUKPTB-VXGBXAGGSA-N 309.391 -0.175 30 20 DBED Cc1cc(C(=O)N2CCC(NCC(=O)NCC#N)CC2)n[nH]1 1199513236 MSSYQMFYQCGUEN-UHFFFAOYSA-N 304.354 -0.448 30 20 DBED CC(C)(C(=O)N1CCCO[C@H](CNCC#N)C1)N1CCOCC1 1201639694 NMLAJJNEGKJJHN-CQSZACIVSA-N 324.425 -0.172 30 20 DBED CC#CCNCC1CCN(C(=O)CCS(=O)(=O)NC)CC1 1205247708 AKGNPPMIPXNALE-UHFFFAOYSA-N 315.439 -0.223 30 20 DBED C=CCNC(=O)NC(=O)CN1C[C@@H](NC(=O)C(F)F)[C@H](C)C1 1205701166 NQFBSUBUVDVOMZ-RKDXNWHRSA-N 318.324 -0.300 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)c2cnc(C)[nH]2)C1 1207672529 KHOROJQVAYRNRK-GFCCVEGCSA-N 303.366 -0.338 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)c2nccn2CC)C1 1207922329 XPQUJYPMOHASRM-CYBMUJFWSA-N 317.393 -0.153 30 20 DBED C=CCCN1C[C@@H](NC(=O)CNS(=O)(=O)N(C)C)[C@H](C)C1 1208972494 ZXTTZTMFOATPFW-VXGBXAGGSA-N 318.443 -0.605 30 20 DBED C#CCCN1C[C@@H](NC(=O)CCCN2C(=O)CNC2=O)[C@H](C)C1 1210910273 LYNDGWKHKURLTB-CHWSQXEVSA-N 320.393 -0.222 30 20 DBED C=CCCOCC(=O)N1CCC[C@H](NCC(=O)NCC#N)C1 1211355110 MVKMHPDAPKVSGE-ZDUSSCGKSA-N 308.382 -0.201 30 20 DBED C#CCN1C[C@@H](NC(=O)C2(NC(N)=O)CCCCC2)[C@H](OC)C1 1213529579 WDHMZVAEXDQUPT-CHWSQXEVSA-N 322.409 -0.194 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H]2[C@@H](C1)OCCN2C(=O)C(C)C 1217305547 AKSNRAGPEVVMIG-HZSPNIEDSA-N 307.394 -0.308 30 20 DBED COCC(=O)N[C@@H]1CN(Cc2ccc(OC)c(C#N)c2)C[C@@H]1O 1219091051 DAXIPEWCJHFNLV-KGLIPLIRSA-N 319.361 -0.125 30 20 DBED N#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2cccc(F)c2)C1 1219124737 AJZHFXNNMILRTM-OLZOCXBDSA-N 320.324 -0.760 30 20 DBED C=CCCC(=O)N[C@@H]1CN(CC(=O)Nc2cnccn2)C[C@@H]1O 1219332600 BINYTESZYRJYMV-NEPJUHHUSA-N 319.365 -0.457 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)c2cn3c(n2)CCC3)C1 1219656350 ZCESVUSYENQEEX-OCCSQVGLSA-N 320.393 -0.193 30 20 DBED C=CCCCN1C[C@H](O)[C@H](NC(=O)CCCS(N)(=O)=O)C1 1220249749 ZNGMDYLBFPHIHF-NEPJUHHUSA-N 319.427 -0.817 30 20 DBED C[C@H](C#N)C(=O)NC1CCN(CC(=O)N2CCOCC2)CC1 1226624597 ALBCRAKGXZHGQO-GFCCVEGCSA-N 308.382 -0.415 30 20 DBED C=CCN1CCS(=O)(=O)[C@H](CCNC(=O)c2cnccn2)C1 1230412963 AXLDXJXPWIKRFZ-GFCCVEGCSA-N 324.406 -0.119 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC[C@H]1CN(C)C(=O)c1cnnn1C 1233992348 WWQKMXOMOINHRJ-NEPJUHHUSA-N 320.397 -0.348 30 20 DBED COCC#CCN1CC[C@H]1CN(C)C(=O)C1CS(=O)(=O)C1 1234499071 HPCZJOWYAIVMLC-ZDUSSCGKSA-N 314.407 -0.787 30 20 DBED C=CCC1(O)CCN(C(=O)CS(=O)(=O)CCOC)CC1 1262189223 UDSQGRVPHFENCV-UHFFFAOYSA-N 305.396 -0.023 30 20 DBED O=C(NCCN/C(O)=C1\N=CC=CC1=O)N[C@@H](CCO)C1CC1 1318799637 NHKLLFDYBWRMPD-JKJHPVACSA-N 322.365 -0.027 30 20 DBED C[C@]1(O)CCN(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1 1320687277 PXKZOFSWWCTRCI-GETOMWPZSA-N 308.338 -0.321 30 20 DBED CN1CCN(CCCCNC(=O)N2CCO[C@H](C#N)C2)CC1 1321981857 UAFQCFHUHWGABH-CQSZACIVSA-N 309.414 -0.052 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CC[S@](=O)[C@H](C)[C@@H]1C 1323589018 XEUODQBTFJJSRM-QFTAPPFESA-N 302.396 -0.329 30 20 DBED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NCCCC(=O)NC 1327702791 UOGUPXAEOVBQQV-WCQYABFASA-N 311.382 -0.274 30 20 DBED Cc1nn(C)cc1[C@@H](C)NC(=O)C(=O)N1CC[C@](O)(CC#N)C1 1328258748 WJIWTCMDGQWALO-MEBBXXQBSA-N 319.365 -0.217 30 20 DBED C=CCN(C(=O)C(=O)N1CCO[C@H](COC)C1)[C@@H](C)COC 1328279865 AHVJLTYPRCNAJF-STQMWFEESA-N 314.382 -0.090 30 20 DBED CN(CC1(O)CCCC1)C(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1329452536 JQHTYFFVVOZUBF-HNNXBMFYSA-N 309.366 -0.373 30 20 DBED C#Cc1ccc(C(=O)NN2C(=O)[C@H]3[C@H]4C=C[C@@H](O4)[C@@H]3C2=O)cn1 1330282622 RMAOWXULIHVOCK-NDBYEHHHSA-N 309.281 -0.354 30 20 DBED CCONC(=O)CNC(=O)C(=O)NCc1ccc(C#N)cc1 1332761189 HKZVFWHFDMAEIU-UHFFFAOYSA-N 304.306 -0.642 30 20 DBED C=CCN(C(=O)C(=O)N[C@@H]1CC(=O)N(C2CC2)C1)[C@H](C)COC 1334087611 ZVGBVOLWXAWXAE-VXGBXAGGSA-N 323.393 -0.085 30 20 DBED C#CCN1CCN(c2nnc(CS(C)(=O)=O)n2CC)CC1 1340894792 GEFAMJHKGHLHJN-UHFFFAOYSA-N 311.411 -0.402 30 20 DBED C#CCN(C(=O)C(=O)NCC1(S(C)(=O)=O)CC1)C(C)C 1351447025 JVEZBMPDVXNNEK-UHFFFAOYSA-N 300.380 -0.450 30 20 DBED CN(CCC#N)S(=O)(=O)N[C@H](CO)Cc1cnn(C)c1 1364001958 PMQURRQPRFTKRE-NSHDSACASA-N 301.372 -0.997 30 20 DBED CC(C)CC(=O)N1CCN(c2[nH]c(=O)n(C)c(=O)c2C#N)CC1 1364152785 XJIMAEOOVFESAV-UHFFFAOYSA-N 319.365 -0.360 30 20 DBED N#Cc1cc(F)ccc1S(=O)(=O)N1C[C@@H](CO)[C@@H](CO)C1 1364934678 WYYNMPZBUYXAPZ-PHIMTYICSA-N 314.338 -0.081 30 20 DBED C=C(Cl)CN(C)[C@@H](C)CNC(=O)CN1CCN(C)C(=O)C1 1381545968 XAOZEBKVIAFHQB-LBPRGKRZSA-N 316.833 -0.051 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CCN(C(=O)c2cc3n(n2)CCO3)C1 1385879156 NJQIHAGVMZWSGK-ZJUUUORDSA-N 303.322 -0.234 30 20 DBED CCCS(=O)(=O)CC(=O)N[C@H](C)CNC(=O)[C@@H](C)C#N 1386458136 RGNYGXBLUUFMEI-VHSXEESVSA-N 303.384 -0.408 30 20 DBED COCCn1cc(C(=O)N[C@@H](C)CNC(=O)[C@H](C)C#N)cn1 1393002819 KESAYDFJFGEAJN-MNOVXSKESA-N 307.354 -0.076 30 20 DBED CN(CCNC(=O)[C@@H]1CCCN1C(N)=O)c1ccnc(C#N)n1 1396102248 KSYYPOXHFAUYBX-JTQLQIEISA-N 317.353 -0.556 30 20 DBED C[C@H](C#N)C(=O)N(CCO)C1CCN(C(=O)[C@H]2CCOC2)CC1 1396622660 FFLVYEQREFURJX-OLZOCXBDSA-N 323.393 -0.006 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNCc1ccc(C(N)=O)cc1 1401513513 YOVAGLBYYCYCIB-GXFFZTMASA-N 304.350 -0.488 30 20 DBED C[C@H](CC(N)=O)C(=O)NC[C@H](O)CNCc1ccccc1C#N 1401546640 BPOZBOPSXISQBM-BXUZGUMPSA-N 318.377 -0.364 30 20 DBED CNC(=O)c1ccc(C(=O)N[C@H](C)CNC(=O)[C@H](C)C#N)cn1 1408315597 ULDAIYBTBDKALG-NXEZZACHSA-N 317.349 -0.165 30 20 DBED Cc1c(C(=O)N2CCO[C@@H](C#N)C2)nnn1-c1cnn(C)c1 1412509439 WIEHEMXXPMBRNS-NSHDSACASA-N 301.310 -0.326 30 20 DBED COc1ncc(C(=O)N2CC[C@@H](NC(=O)[C@H](C)C#N)C2)cn1 1414804589 NYXMVPHIZIFWMW-MWLCHTKSSA-N 303.322 -0.024 30 20 DBED CO[C@@]1(C)CCCN(C(=O)Cn2cc(C#N)c(O)nc2=O)C1 1417768323 LQQOKVZNVIHACJ-AWEZNQCLSA-N 306.322 -0.152 30 20 DBED Cc1nc(CN2CCN(CCN(C)C(=O)[C@@H](C)C#N)CC2)n[nH]1 1418912783 LAXSCTLRSHQEOJ-LBPRGKRZSA-N 319.413 -0.151 30 20 DBED C[C@@H](CN(C)C(=O)c1cn(C)nn1)NC(=O)c1c[nH]c(C#N)c1 1427538802 ZVMNGWDPFPEGLD-VIFPVBQESA-N 315.337 -0.095 30 20 DBED COC(=O)NCC(=O)NCC1CN(C(=O)c2ccc(C#N)[nH]2)C1 1432375081 CRJYPEJHPMPKMO-UHFFFAOYSA-N 319.321 -0.569 30 20 DBED Cc1nnc2n1C[C@@H](C(=O)NCCn1cnc(C#N)n1)CC2 1449131102 PGNPGEHFKZEIRT-JTQLQIEISA-N 300.326 -0.572 30 20 DBED CNC(=O)NCC(=O)N1CCC[C@@H](CN(C)C(=O)[C@H](C)C#N)C1 1454234904 XLAXYUJRIHDPRF-NEPJUHHUSA-N 323.397 -0.228 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)Cn2ccccc2=O)C1 1494048516 VFDUSDVUTOZXFI-IJLUTSLNSA-N 302.334 -0.229 30 20 DBED C=CCN1CC[C@@H](N2CCC[C@H](NC(=O)CNC(=O)O)C2)C1=O 1573368878 SKYQXCQQDPIHKQ-NWDGAFQWSA-N 324.381 -0.379 30 20 DBED COC(=O)[C@@H]1[C@@H](O)CCCN1C(=O)C1CC2(CNC[C@@H]2C#N)C1 1578783004 JHZKHNYUNYBTCH-BTWPUCDJSA-N 321.377 -0.349 30 20 DBED CO[C@]1(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[nH]2)CCSC1 1579595851 KKKFWHWHKPPUNR-LLVKDONJSA-N 320.338 -0.078 30 20 DBED Cc1nc(C)n(C2CN(c3cnc(C#N)c(-c4nn[nH]n4)n3)C2)n1 1581447149 XNSSYAWHRLQRRP-UHFFFAOYSA-N 323.324 -0.202 30 20 DBED C=CCCO[C@H](C)C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)O 1588459814 FXZSPUOXAXMJGV-NXEZZACHSA-N 305.352 -0.322 30 20 DBED COC(=O)C1(C)CN(c2cnc(C#N)c(-c3nn[nH]n3)n2)C1 1591244474 ULVFKWFKYJPGIP-UHFFFAOYSA-N 300.282 -0.472 30 20 DBED N#Cc1c(-c2nn[nH]n2)ncn1CC(=O)NCc1cccnc1 1592683986 KOKFGGZLZQWDIS-UHFFFAOYSA-N 309.293 -0.354 30 20 DBED O=C(Nc1cccc(-c2nn[nH]n2)n1)N[C@H]1CCCN(O)C1=O 1593244450 RIUAUCYJVBSERT-QMMMGPOBSA-N 318.297 -0.237 30 20 DBED N#CCN1CCC(OC(=O)[C@H]2CCCN(CC(=O)O)C2=O)CC1 1594609808 LNPORAFYLCEHEJ-LBPRGKRZSA-N 323.349 -0.159 30 20 DBED COC[C@H]1CN(c2cnc(-c3nn[nH]n3)c(C#N)n2)CCO1 1605073573 HVNRUJDRAPWHKO-MRVPVSSYSA-N 302.298 -0.620 30 20 DBED N#CCNC(=O)CNC(=O)c1ccc2c(-c3nn[nH]n3)c[nH]c2c1 1606350194 ROCXQCHVJXKUMZ-UHFFFAOYSA-N 324.304 -0.282 30 20 DBED CCO[C@H]1CCN(c2nnc(Cn3cnc(C#N)n3)n2C)C1 1646663252 APXMTBNBUPHQGQ-JTQLQIEISA-N 302.342 -0.058 30 20 DBED C#CCOCCC(=O)NC[C@H]1CCN(CCn2cncn2)C1 1753123411 CWBPOIHVZBQAJA-CQSZACIVSA-N 305.382 -0.244 30 20 DBED CCN(CCC#N)C(=O)CNCCN(C)C(=O)c1cnnn1C 1753186481 VBGCBOPFCQUENG-UHFFFAOYSA-N 321.385 -0.761 30 20 DBED C=CCNC(=O)CN1CC(CNC(=O)CCn2ccnc2)C1 1753407745 VLJQFGZIJVRHLK-UHFFFAOYSA-N 305.382 -0.377 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](C)CNCCN1CCNC1=O 1753630823 PBORCRFEYDUSHR-MJBXVCDLSA-N 324.425 -0.055 30 20 DBED CCN(CCNC[C@H](O)CN1C(=O)CCC1=O)C(=O)[C@@H](C)C#N 1754039331 UNTOZZPUWDTYGQ-RYUDHWBXSA-N 324.381 -0.906 30 20 DBED C=C(Br)CNC/C=C/CNC(=O)[C@H]1CNC(=O)N1 1754164481 MDPYCTJZTYZLHH-GKQMSVHHSA-N 317.187 -0.162 30 20 DBED C=CCNC(=O)CNC[C@@H](C)NC(=O)c1nc(C)c(C)nc1O 1754230716 GJYWFBLDIHKSMB-SECBINFHSA-N 321.381 -0.191 30 20 DBED C#CCNC(=O)CN(C)C[C@H](C)NC(=O)CC1OCCCO1 1754307851 KKJXEJBBBNYUPZ-LBPRGKRZSA-N 311.382 -0.675 30 20 DBED C#CCNC(=O)CNC[C@@H]1CCCC[C@H]1NC(=O)CCN(C)C 1754348866 OCWNIHWRJFRSHY-LSDHHAIUSA-N 322.453 -0.048 30 20 DBED N#CCNC(=O)CN1CC[C@@H]1CNC(=O)c1cnn(CCF)c1 1754487463 JGLYWUJXILEEJU-GFCCVEGCSA-N 322.344 -0.704 30 20 DBED C=CCNC(=O)CN1CC[C@@H]1CNC(=O)c1c(C)nn(C)c1F 1754501551 TZOPLAPAPOUBCD-LLVKDONJSA-N 323.372 -0.026 30 20 DBED C#CCNC(=O)[C@@H](C)NC1(CNC(=O)[C@H]2CCCC(=O)N2)CC1 1754517288 ICWQULLHVRRVAF-VXGBXAGGSA-N 320.393 -0.969 30 20 DBED C=CCNC(=O)NC(=O)CN1CC(N(C)C(=O)C(C)(C)F)C1 1754570421 WFYBEYVESQYIBP-UHFFFAOYSA-N 314.361 -0.111 30 20 DBED C#CCNC(=O)CN1CCC[C@@](C)(CNC(=O)COCC)C1 1754724699 RMGRTQOBNTXVCF-INIZCTEOSA-N 309.410 -0.009 30 20 DBED COCC#CCN1CCOC[C@@H]1CNC(=O)C1CCN(C)CC1 1754971439 NABJALMCFBKZFA-INIZCTEOSA-N 323.437 -0.205 30 20 DBED C#CCNC(=O)[C@H](C)N(C)CCCN(C)C(=O)[C@@H]1[C@H]2COC[C@H]21 1755041992 GYYWXBISEMFFTO-BYNSBNAKSA-N 321.421 -0.203 30 20 DBED C#CCN1CC2(CC[C@@H](CNC(=O)CO[C@@H]3CCOC3)O2)C1 1755054687 SPNBGGMDNHGPNN-UONOGXRCSA-N 308.378 -0.225 30 20 DBED CC1(NCC(=O)NCC#N)CCN(C(=O)Cc2cc[nH]n2)CC1 1755126469 IFIZOWAECWXUKP-UHFFFAOYSA-N 318.381 -0.437 30 20 DBED COCC#CCN[C@@H](C)[C@H]1CN(C(=O)Cn2cccn2)CCO1 1755437528 DYPMZNSRFBFKLH-LSDHHAIUSA-N 320.393 -0.262 30 20 DBED C[C@H](CCCNCC#N)NC(=O)[C@@H]1Cc2cncn2C(=O)N1 1755507242 BGVDVHFYPIAHAZ-PWSUYJOCSA-N 304.354 -0.236 30 20 DBED CN(C(=O)[C@@]1(C)CCOC1)[C@@H](CNCC(=O)NCC#N)C1CC1 1755569322 UCZAKFHHIKMYRT-BBRMVZONSA-N 322.409 -0.121 30 20 DBED CC#CCN[C@@H](CO)CNC(=O)c1cnc2c(c1)c(C)nn2C 1755634037 BVBAIWCNBMKBJQ-CYBMUJFWSA-N 315.377 -0.020 30 20 DBED COCC#CCN[C@@H](CO)CNC(=O)[C@@H]1Cc2cccnc2C1 1755645221 NVIYVGSCPHWQAP-HUUCEWRRSA-N 317.389 -0.487 30 20 DBED COCC#CCN[C@@H](CO)CNC(=O)COc1ccccc1F 1755646447 QAJSKWGYYZTEOE-CYBMUJFWSA-N 324.352 -0.079 30 20 DBED C=CCCN(C)C[C@@H](O)CN(C)C(=O)Cn1ccc(O)nc1=O 1755803365 SRTSNTRCLBAUJX-GFCCVEGCSA-N 324.381 -0.724 30 20 DBED C#CCN1CC=C(CNC(=O)CN(C)S(=O)(=O)CC)CC1 1755897355 VSQRRDWVAANPNW-UHFFFAOYSA-N 313.423 -0.351 30 20 DBED C#CCNC(=O)CC(=O)N(C)[C@H](C)CNC(=O)c1ncoc1C 1756008001 LOKNDGNVCOQJPI-SNVBAGLBSA-N 320.349 -0.301 30 20 DBED C=CCOCC(=O)NCC1[C@@H]2CN(C(=O)[C@H]3CCC(=O)N3)C[C@@H]12 1756194719 JWKRCEPWSKJTGV-RWMBFGLXSA-N 321.377 -0.712 30 20 DBED C=CCOCC(=O)N(C)C[C@@H]1CCN1C(=O)c1cnnn1C 1757279343 WOFGVAFAFLYHEL-NSHDSACASA-N 307.354 -0.309 30 20 DBED C#CCCCC(=O)NC[C@H]1C[C@@H](NC(=O)c2nnn(C)n2)C1 1757316210 FLGHQXSXEPZETA-PHIMTYICSA-N 304.354 -0.362 30 20 DBED CNC(=O)CC(=O)N(CCO)C1CCN(C(=O)[C@@H](C)C#N)CC1 1757555131 STBYGBKHPXDUFS-NSHDSACASA-N 324.381 -0.906 30 20 DBED C=CCC(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1783921744 SAAKWQBABFGEGE-HNNXBMFYSA-N 306.318 -0.520 30 20 DBED C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1CCCS1(=O)=O)C2 1801601735 XZHGBTRECRLJTR-RNJOBUHISA-N 324.402 -0.165 30 20 DBED C=CCc1ccc(OCC(=O)NC(C(N)=O)C(N)=O)c(OC)c1 23881096 ZOGOEGOLEJPBKO-UHFFFAOYSA-N 321.333 -0.742 30 20 DBED N#Cc1ncn(CC(=O)NCCNC(=O)c2cccs2)n1 53620397 ABDMAQFUBVGFGB-UHFFFAOYSA-N 304.335 -0.243 30 20 DBED C#CCNS(=O)(=O)c1ccc(C(=O)NCCN(C)C)cc1 55175955 NWSIABCORCTHNH-UHFFFAOYSA-N 309.391 -0.111 30 20 DBED CCN(CCC#N)C(=O)CN1CCC(CS(N)(=O)=O)CC1 89992224 BCLDEJCKOGSAHT-UHFFFAOYSA-N 316.427 -0.251 30 20 DBED CC#CCNC(=O)Cn1cc(Br)c(=O)[nH]c1=O 121584163 NRGRILJFMOXOLN-UHFFFAOYSA-N 300.112 -0.561 30 20 DBED CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1CCN(C(=O)CO)CC1 152859564 VEOUQJIFITXSFT-WFASDCNBSA-N 310.398 -0.434 30 20 DBED C#CCNS(=O)(=O)c1cccc(C(=O)N2CC(N(C)C)C2)c1 158247855 NDYQDIVZSYTIKJ-UHFFFAOYSA-N 321.402 -0.016 30 20 DBED N#Cc1cc(S(=O)(=O)N[C@@H](CC(=O)O)C(=O)O)ccc1F 166516207 ZANNCXIPJDQPMW-VIFPVBQESA-N 316.266 -0.096 30 20 DBED Cn1c(N2CCC[C@@H](CC(N)=O)C2)c(C#N)c(=O)n(C)c1=O 266992459 CMTJSDMAEMIIFH-VIFPVBQESA-N 305.338 -0.953 30 20 DBED CCOCCS(=O)(=O)NCC(=O)N(CCC#N)CCC#N 268161884 PVGHKQFIJZKZLM-UHFFFAOYSA-N 316.383 -0.402 30 20 DBED COC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)c1ccc(C#N)cc1 275339898 WVYRFYMUOSEECG-LBPRGKRZSA-N 322.342 -0.030 30 20 DBED C=CCN1CC[C@@H](N2CCS(=O)(=O)C[C@@H]2C(=O)OC)C1=O 281484961 WWGBECNMIJFTPC-GHMZBOCLSA-N 316.379 -0.955 30 20 DBED N#Cc1ncn(CCN[C@H](Cc2ccc(F)cc2)C(N)=O)n1 285132274 OBGCMPPLCXJCDI-GFCCVEGCSA-N 302.313 -0.025 30 20 DBED CCOC(=O)N1CC[C@@H](NC(=O)NCCn2cnc(C#N)n2)C1 286734768 IDEHKJBNSMRQRC-SNVBAGLBSA-N 321.341 -0.320 30 20 DBED COCC[C@@H]1COCCN1c1c(C#N)c(=O)n(C)c(=O)n1C 292395649 RFJFVAIVSPXBQA-SNVBAGLBSA-N 308.338 -0.803 30 20 DBED C#CCN(C)CCCNC(=O)C(=O)Nc1cncnc1N(C)C 293439649 RNYFCESYIDOGAI-UHFFFAOYSA-N 318.381 -0.448 30 20 DBED Cn1c(N2CC[C@H](N3CCCC3=O)C2)c(C#N)c(=O)n(C)c1=O 330046170 DROLNEDPWBQRGM-JTQLQIEISA-N 317.349 -0.843 30 20 DBED O=C1C[C@H](N/C(O)=N/[C@@H]2CCS(=O)(=O)C2)CN1C1CC1 330053590 QQYSMLZNPHYCMT-BDAKNGLRSA-N 301.368 -0.560 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N(C)CC(=O)NC1CC1 331804492 UCXONQXORVWVOJ-SNVBAGLBSA-N 302.400 -0.077 30 20 DBED CCO[C@@H]1C[C@H](NS(=O)(=O)N2CCO[C@@H](C#N)C2)[C@@H]1OC 336932407 CJPBCABNFHSGHV-YFKTTZPYSA-N 319.383 -0.762 30 20 DBED C=C(C)CN(C)C(=O)C(=O)NCCNC(=O)c1cccnc1 340222498 PBCQFUONOZDYAP-UHFFFAOYSA-N 304.350 -0.038 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2cnn(C)c2)C1=O 340546458 HSMPYAMZVATLJK-LLVKDONJSA-N 305.338 -0.396 30 20 DBED Cc1ccc2nc(Cn3c(=O)c(C#N)cn(C)c3=O)cc(=O)n2c1 344229225 GOGLZVXTDQSDMY-UHFFFAOYSA-N 323.312 -0.217 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@H](O)C[C@@H]2C)C1=O 346713518 GQKHWTYRDFGLIX-VHSXEESVSA-N 309.322 -0.665 30 20 DBED C=C(C)CN(C)C(=O)C(=O)NC[C@@H]1CCCN1S(C)(=O)=O 347303700 HRHFYDVTSXIMDB-NSHDSACASA-N 317.411 -0.439 30 20 DBED C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)NCC(=O)NCC#N 358313146 NFEJISRFYHVAJA-LLVKDONJSA-N 311.386 -0.887 30 20 DBED N#CCCNC(=O)CN1C(=O)N[C@]2(CCCC[C@H]2CN)C1=O 388093407 UFLMGIWKMQFSGO-HZMBPMFUSA-N 307.354 -0.544 30 20 DBED CNC(=O)[C@@H]1CCCN(S(=O)(=O)N(C)[C@@H](C)CC#N)C1 407975938 LYLWOFIISFLGDB-WDEREUQCSA-N 302.400 -0.077 30 20 DBED N#Cc1ccc(CNC(=O)C(=O)N2C[C@@H]3CNC[C@@H]3C2)cc1F 418892564 WGQSJDGQYZINGX-BETUJISGSA-N 316.336 -0.009 30 20 DBED CS(=O)(=O)N1CCC[C@H](Cn2c(N)nc(C#N)c2C#N)C1 443420682 UZGDLRAYKUUSJP-VIFPVBQESA-N 308.367 -0.120 30 20 DBED C=CCCCS(=O)(=O)N1CCN(S(=O)(=O)NC)CC1 489878423 IVBZBMAUSOQEHV-UHFFFAOYSA-N 311.429 -0.636 30 20 DBED C#CCN1CCN(C(=O)CN2CCC[C@H](CNC(C)=O)C2)CC1 490761844 XJSWWDPFWHVPBA-MRXNPFEDSA-N 320.437 -0.388 30 20 DBED C#CCNC(=O)CN1CCN(Cc2cc(=O)c(O)co2)CC1 491667626 YBIZHIWYBSUDAR-UHFFFAOYSA-N 305.334 -0.788 30 20 DBED C=CCNC(=O)CNC(=O)NCCS(=O)(=O)NC(C)(C)C 538556908 IFBVUQAJPFYVLO-UHFFFAOYSA-N 320.415 -0.694 30 20 DBED C=CCn1cc(CNC(=O)N2CCN(C[C@H](C)O)CC2)nn1 563032705 NXAAXRNFEFNLGE-LBPRGKRZSA-N 308.386 -0.328 30 20 DBED N#Cc1cnn(-c2ccccc2)c1NC(=O)CNC(CO)CO 563361905 UIUNGBWDYQRDHI-UHFFFAOYSA-N 315.333 -0.375 30 20 DBED COCCN(CCC#N)S(=O)(=O)NCCc1cn[nH]c1 590586385 LXOLCARLHJVAMF-UHFFFAOYSA-N 301.372 -0.351 30 20 DBED COc1ccc(C#N)cc1NC(=O)CNS(=O)(=O)N(C)C 597004615 OOXGRKMSOKNUEZ-UHFFFAOYSA-N 312.351 -0.099 30 20 DBED CCOCCN(CC)C(=O)C(=O)N1CCN(CCC#N)CC1 601441537 IXLHOQFTQXGHPW-UHFFFAOYSA-N 310.398 -0.071 30 20 DBED N#Cc1ncn(CC(=O)N2CCC[C@H](C(=O)NCC3CC3)C2)n1 603908988 MVWBGPDBYCEAOE-LBPRGKRZSA-N 316.365 -0.085 30 20 DBED N#C[C@]1(F)CCN(C(=O)C2CCN(S(N)(=O)=O)CC2)C1 615594629 QCJKRHJKNVHBOZ-LLVKDONJSA-N 304.347 -0.634 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)NC1CC(NS(C)(=O)=O)C1 619751880 OBPAZXHAFNSUSZ-IDKOKCKLSA-N 324.428 -0.865 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)C1(NC(C)=O)CCCC1 731258298 KRNINBFVTBKVEH-UHFFFAOYSA-N 311.338 -0.010 30 20 DBED N#Cc1ccc(N2CCN(CCC(=O)NCC(=O)O)CC2)nc1 739123838 WMXDJLFVVGNPIS-UHFFFAOYSA-N 317.349 -0.334 30 20 DBED N#Cc1cccc(C(=O)COC(=O)c2cn(CC(N)=O)nn2)c1 748293121 WRWJRUJFDPMHGN-UHFFFAOYSA-N 313.273 -0.325 30 20 DBED CS(=O)(=O)N1CCCN(Cn2cccc(C#N)c2=O)CC1 758183852 AYXHVUZFFFFGMU-UHFFFAOYSA-N 310.379 -0.355 30 20 DBED C#CCOCCNC(=O)N[C@@H]1CCOC[C@H]1OCCOC 776908699 MQHQAAIBHZXIQB-CHWSQXEVSA-N 300.355 -0.244 30 20 DBED O=C(CN1CSCC1=O)NCc1ccc(C(=O)NO)cc1 788245290 FGZFYIXFVPNTSV-UHFFFAOYSA-N 309.347 -0.045 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CC[C@](C)(C(N)=O)C1)[C@@H]1CCCO1 809308670 MWSQXDKVEUEHGJ-PGUXBMHVSA-N 307.350 -0.993 30 20 DBED CC#CCS(=O)(=O)NC(=O)[C@H]1CC(=O)N(CC(C)C)C1 810777246 DGQPNAKEGKJBMF-NSHDSACASA-N 300.380 -0.040 30 20 DBED C#CCOc1ccccc1NC(=O)C(=O)NCC(=O)N(C)OC 817401153 RJRPAWHQJJPUHM-UHFFFAOYSA-N 319.317 -0.227 30 20 DBED CC(C)(C)N1C[C@H](C(=O)NS(=O)(=O)CCC#N)CC1=O 835411635 NBEGVOIXDBCPQF-SECBINFHSA-N 301.368 -0.007 30 20 DBED C=CCS(=O)(=O)CCNC(=O)NCCN(C)C(=O)OC 852249725 NDGMNHDXBCXUIP-UHFFFAOYSA-N 307.372 -0.415 30 20 DBED N#Cc1ccc(S(=O)(=O)NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)cc1 860447813 ANCBBNACLYYZKS-WDEREUQCSA-N 323.330 -0.604 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)N(C)CCC)CC1 872515214 IQSLLCYVSUIQDN-UHFFFAOYSA-N 302.400 -0.467 30 20 DBED C#CCN1CCC[C@H](NC(=O)[C@H](NC(=O)C2CC2)[C@@H](C)O)C1 923562611 AXRDIZSCSKVUBT-KWCYVHTRSA-N 307.394 -0.524 30 20 DBED N#Cc1cc(C(=O)N[C@H]2CCN(C(=O)Cn3nccn3)C2)c[nH]1 937854011 ZINGMCRJARYYIZ-NSHDSACASA-N 313.321 -0.491 30 20 DBED CO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1NC(=O)Cc1cncn1C 943580204 ONWKHDWKWVYVEF-RAIGVLPGSA-N 319.365 -0.536 30 20 DBED Cc1ccn(CC(=O)N(C)C2CN(C(=O)[C@H](C)C#N)C2)c(=O)c1 954297205 MXUHSLPISCSKFR-GFCCVEGCSA-N 316.361 -0.014 30 20 DBED C=CCn1cc(C(=O)N(C)C2CN(C(=O)c3cn[nH]c3)C2)nn1 954308167 LBKGLXXFOINXHF-UHFFFAOYSA-N 315.337 -0.216 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2cn(C)nc2COC)C1 958183172 LZHWYLCWNKKTLI-RISCZKNCSA-N 306.366 -0.778 30 20 DBED N#CCN1C[C@H](CNC(=O)c2cnc(C3CC3)nc2)[C@@H](O)C1 958462959 JGQOCKHGYOGRBX-STQMWFEESA-N 301.350 -0.100 30 20 DBED CC(=O)N1CCC(C(=O)NC[C@@H]2CN(CC#N)C[C@H]2O)CC1 958657891 QCLZHSKWZAEFIT-ZIAGYGMSSA-N 308.382 -0.823 30 20 DBED Cc1nnc(CC(=O)N(C)[C@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)o1 958838916 MVBCORGGLIUOJN-MIMYLULJSA-N 321.337 -0.890 30 20 DBED C[C@H](NC(=O)c1c[nH]c(C#N)c1)[C@H]1CCN(C(=O)CC(N)=O)C1 959093273 JCXJVMWOGOVDRC-UWVGGRQHSA-N 317.349 -0.271 30 20 DBED C#CCN1C[C@H]2C(NC(=O)c3coc(S(C)(=O)=O)c3)[C@@H]2C1 960001175 JVUFHYHZZXMUNY-GHMZBOCLSA-N 308.359 -0.024 30 20 DBED C#CCN1C[C@H]2C(NC(=O)[C@@H]3OCC[C@@H]3Cn3cccn3)[C@@H]2C1 962010072 CIVNMDVULHQMBV-IXYNUQLISA-N 314.389 -0.032 30 20 DBED C=CCN1CC[C@H](N2C[C@@H]3C(NC(=O)c4nc[nH]n4)[C@H]3C2)C1=O 962085246 OPEVKOLMIWXHLM-DCAQKATOSA-N 316.365 -0.748 30 20 DBED C=CCN1CC[C@@H](C)[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 966169450 UWKPPXNFHSQNDZ-GHMZBOCLSA-N 306.370 -0.610 30 20 DBED CO[C@H](C)C(=O)N1CC(N2CCN(C(=O)C#CC3CC3)CC2)C1 967209191 ASCFSJODHSIMEY-CYBMUJFWSA-N 319.405 -0.210 30 20 DBED C#Cc1ccc(C(=O)N[C@H](C)C2CN([C@@H](C)C(N)=O)C2)cn1 970753914 NOIGLBVLITWNQF-MNOVXSKESA-N 300.362 -0.013 30 20 DBED C#CCN1CCC(C(=O)N[C@H](C)C2CN(CC(N)=O)C2)CC1 970927304 YHHSBEYHVBQAPO-GFCCVEGCSA-N 306.410 -0.747 30 20 DBED C=CCN1C[C@H]2CC[C@H]1CN2C(=O)Cn1nc(C)n(C)c1=O 972070623 VJQLQJPIPBKNCT-QWHCGFSZSA-N 305.382 -0.249 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@]2(CN(Cc3nc(O)n[nH]3)CCO2)C1 972299318 ZYEXBQYIICNXBZ-IINYFYTJSA-N 320.353 -0.527 30 20 DBED N#CCN1CCO[C@@]2(CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)C1 972553438 FFXKTCLTIQLQFL-WWGRRREGSA-N 320.393 -0.285 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)[C@]3(C)CNC(=O)C3)[C@H]2C1 976848888 ANCNTGGMJCOFSI-FBSDCJDYSA-N 304.350 -0.755 30 20 DBED C=C(Cl)CN[C@@H]1CCN(C(=O)CN2CCNC(=O)C2)[C@H]1C 986669296 ILHGRYOSSQQEJJ-NWDGAFQWSA-N 314.817 -0.250 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC(NC(=O)c2cnsn2)C1 990343817 OMDAYYNEBKJMHV-LBPRGKRZSA-N 319.390 -0.424 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC(NC(=O)C[C@H]2CCOC2)C1 990573581 AYCHQMLSNDKGQW-HIFRSBDPSA-N 319.405 -0.162 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)c2cnc(N(C)C)cn2)C1 991843643 BPXKSUFIHLRQCL-VIFPVBQESA-N 302.338 -0.357 30 20 DBED C=C1CC(C)(C(=O)N2CC(NC(=O)C[C@H]3CC(=O)NC3=O)C2)C1 995306667 WWLJIZWFQBTNBM-JTQLQIEISA-N 319.361 -0.278 30 20 DBED CC(=O)N1CCO[C@H](C(=O)N[C@@H](C)C2CCN(CC#N)CC2)C1 997849310 PGFBUYLLDJAIBL-WFASDCNBSA-N 322.409 -0.026 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCCN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 1010830499 NISWWVHYLWYJOS-RYUDHWBXSA-N 318.377 -0.124 30 20 DBED C#Cc1ccc(C(=O)N2C[C@H](NC(=O)C(N)=O)C[C@H]2C)nc1 1013468242 HPSYJQHFDWGDPG-MWLCHTKSSA-N 300.318 -0.733 30 20 DBED C#CCCN1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CC(=O)NC1=O 1018068705 HICRQDHPEANSAQ-TXEJJXNPSA-N 304.350 -0.763 30 20 DBED C[C@@H]1CCN(C(=O)C(N)=O)C[C@H]1CNC(=O)c1ccc(C#N)[nH]1 1018616136 CBKGVEQFOCBHEX-NXEZZACHSA-N 317.349 -0.414 30 20 DBED CC(=O)N1CC(C(=O)N2CC3(CCN(C(=O)[C@H](C)C#N)C3)C2)C1 1018972012 CZUNUKHXFZMVKH-LLVKDONJSA-N 318.377 -0.315 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCN(C(=O)[C@H]3CN(C)C(=O)N3)C2)C1 1019365018 RSPJXZSSEGEDAH-WDEREUQCSA-N 319.365 -0.769 30 20 DBED C[C@@H](C#N)C(=O)N1CCCO[C@H](CNC(=O)c2cncn2C)C1 1019615333 KOZUVYBWBDTOKS-NWDGAFQWSA-N 319.365 -0.073 30 20 DBED C=CCN1CC[C@@H](N[C@H]2C[C@H](NC(=O)[C@H]3COCCO3)C2)C1=O 1019998532 NAMTWPGJYDLNQD-AAVRWANBSA-N 323.393 -0.575 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CCN(C(=O)c3cnn(C)n3)[C@@H]2C1 1022151143 BTNOBHBKCHZTBX-JBLDHEPKSA-N 302.338 -0.352 30 20 DBED C=CCN(C)[C@H]1CCCN(C(=O)c2cn(C)c(=O)n(C)c2=O)C1 1027600554 GYWQITIIPWWYSG-LBPRGKRZSA-N 320.393 -0.194 30 20 DBED CN1CC[C@H](C(=O)NC[C@@H]2CCCN2CC#N)S1(=O)=O 1028196339 IWVYHCIRJHYLBW-WDEREUQCSA-N 300.384 -0.876 30 20 DBED C#CCN1CCC(C(=O)NC2CN([C@H](C)C(=O)N(C)C)C2)CC1 1031434917 JXDAFLOVJCIOSS-CYBMUJFWSA-N 320.437 -0.391 30 20 DBED C=C(C)CCN1CCO[C@@H](CNC(=O)[C@H]2CN(C)C(=O)N2)C1 1035475531 LOKWAQVYHJMGHQ-QWHCGFSZSA-N 310.398 -0.207 30 20 DBED C#CCN1CCO[C@H](CNC(=O)[C@H]2CCCCN2C(N)=O)C1 1035571943 MMHOZNNAWMKDJR-CHWSQXEVSA-N 308.382 -0.630 30 20 DBED C#CCCN1CC[C@@H]1CNC(=O)c1nc(O)nc(O)c1OC 1038916804 JBZXDABYQJTKFN-SECBINFHSA-N 306.322 -0.276 30 20 DBED C#CCCCC(=O)NC[C@@]1(O)CCN(C(=O)CCN(C)C)C1 1039574374 RTKILDLZBYQOKK-INIZCTEOSA-N 309.410 -0.179 30 20 DBED C#CCCCC(=O)NC[C@@]1(O)CCN(C(=O)c2cncn2C)C1 1039576840 YKDAORVEENTAIU-INIZCTEOSA-N 318.377 -0.083 30 20 DBED Cc1cc(C(=O)N2CC[C@@](O)(CNC(=O)[C@@H](C)C#N)C2)ncn1 1040759604 BOVWOHKUAMOFQD-ZUZCIYMTSA-N 317.349 -0.362 30 20 DBED C[C@@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)c2ccn(C)c2)C1 1040763984 SXTFTOFGOJIBTN-XHDPSFHLSA-N 304.350 -0.122 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)Cn3cccn3)C2)nc1 1040925585 NWOZZXODAVVWIY-CHWSQXEVSA-N 312.333 -0.484 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)c3csnn3)C2)nn1 1041262641 GVCAUUDACOONQO-PSASIEDQSA-N 317.334 -0.821 30 20 DBED CCn1cc(C(=O)NCC2(O)CN(C(=O)C#CC(C)C)C2)cn1 1042167866 ZISSZRSFTHCQSO-UHFFFAOYSA-N 318.377 -0.135 30 20 DBED CO[C@@H](C)CCC(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1042691905 MSOJEJMIHVWVII-LBPRGKRZSA-N 308.378 -0.096 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)[C@@H]2CCO[C@@H]2C)C1 1042937868 MGTNUEMPZOXVNX-CHWSQXEVSA-N 308.378 -0.240 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)[C@H]2OCCO[C@H]2C)C1 1042942880 DZXWOXOFVDNRJV-JSGCOSHPSA-N 324.377 -0.861 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042963801 VROWMPQRRLDRNW-LBPRGKRZSA-N 304.346 -0.872 30 20 DBED C=CCC(C)(C)C(=O)NCC1(O)CN(C(=O)c2cnn[nH]2)C1 1043061576 JOGYHBXBFXDICL-UHFFFAOYSA-N 307.354 -0.290 30 20 DBED C=CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2cc(C)[nH]n2)C1 1043569712 CHWQDZYEHJSOBF-NSHDSACASA-N 322.365 -0.388 30 20 DBED C=CCCO[C@H](C)C(=O)N1CC(O)(CNC(=O)c2cnn[nH]2)C1 1043812024 VXKQYLOCUSLXBW-SNVBAGLBSA-N 323.353 -0.911 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)CCc2ccon2)C1 1043875824 KKFRWNSBHYZFGV-UHFFFAOYSA-N 323.349 -0.501 30 20 DBED CC#CCCCC(=O)NCC1(O)CN(C(=O)c2ccnn2C)C1 1045006677 DZBWIANEKNJWBM-UHFFFAOYSA-N 318.377 -0.083 30 20 DBED C#CCN1CC[C@@H](N2CCN(C(=O)[C@@H](C)n3cncn3)CC2)C1 1046021835 GTQLMROKDBADMP-HUUCEWRRSA-N 316.409 -0.309 30 20 DBED C=CCCN1C[C@H](O)[C@@H](N(C)C(=O)Cc2cn(CC)nn2)C1 1047465639 CWQLUYHBBMLVEV-KBPBESRZSA-N 307.398 -0.080 30 20 DBED Cn1cc(C(=O)N2CCC[C@H]3[C@H]2CCN3CC#N)n(C)c1=O 1049918608 RSJWCJMRTRLZMM-NWDGAFQWSA-N 303.366 -0.074 30 20 DBED C=CCN1CCOC[C@@H]1CNC(=O)c1cccnc1C(N)=O 1051254876 NYQSXHVXYFZGGW-NSHDSACASA-N 304.350 -0.203 30 20 DBED N#Cc1cnc(N2CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C2)c(Cl)c1 1051768531 YPRVWRFBGYAVJR-ZJUUUORDSA-N 323.740 -0.852 30 20 DBED C#CCOCCC(=O)NC[C@H]1CN(C(=O)c2cnn[nH]2)C[C@H]1C 1052930527 YIHIAUMVLIXGSH-NEPJUHHUSA-N 319.365 -0.331 30 20 DBED N#CCN1CC2(C1)CN(C(=O)C[C@H]1CCCC(=O)N1)CCO2 1053334235 RQHCOXMYJHBDEP-GFCCVEGCSA-N 306.366 -0.518 30 20 DBED C#CCN1CC2(C1)CN(C(=O)[C@H](OC)c1cnn(C)c1)CCO2 1053358716 YKGVGASVXHEZPT-CQSZACIVSA-N 318.377 -0.346 30 20 DBED Cn1cc(C(=O)NC[C@@H]2CCC3(CN(CC#N)C3)O2)ncc1=O 1053629848 XKNBDERFULQOQI-NSHDSACASA-N 317.349 -0.733 30 20 DBED CCn1nnc(C)c1C(=O)N[C@H]1COC2(C1)CN(CC#N)C2 1053827945 LCUIIDVSHVOKCG-LLVKDONJSA-N 304.354 -0.297 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)c3coc(C(N)=O)c3)CO2)C1 1053881968 RMUNFWJUIWPSPI-GFCCVEGCSA-N 317.345 -0.025 30 20 DBED CN1CCCC[C@H](C(=O)N[C@@H]2COC3(C2)CN(CC#N)C3)C1=O 1053980673 BLDNWTCEMPKVJA-QWHCGFSZSA-N 320.393 -0.272 30 20 DBED COc1ccc(C#N)cc1CN[C@H]1CN(C(=O)C(N)=O)C[C@H]1C 1055020864 UXNWFCSPYOAJLQ-MFKMUULPSA-N 316.361 -0.011 30 20 DBED C=CCOCC(=O)N1C[C@@H]2CN(C(=O)CCNC(N)=O)C[C@@H]2C1 1055250095 OZQZGQIHMFVVQY-TXEJJXNPSA-N 324.381 -0.836 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCC[C@](CO)(NC(=O)COC)C1 1055705038 FKZUDQWUZQWZME-CABCVRRESA-N 314.382 -0.570 30 20 DBED Cc1cc(C(=O)N[C@@]2(CO)CCCN(C(=O)[C@H](C)C#N)C2)n[nH]1 1055803539 CZWLUVQXRWUQQC-BMIGLBTASA-N 319.365 -0.039 30 20 DBED C=CCOCC(=O)N1CC[C@H]2[C@@H]1CCCN2C(=O)CC(N)=O 1056325405 RVHQYBXRDYRBEI-RYUDHWBXSA-N 309.366 -0.344 30 20 DBED CN(c1nccnc1C#N)[C@@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 1056997983 MPZZYSVRTRAYPQ-GHMZBOCLSA-N 314.349 -0.479 30 20 DBED N#CCSCC(=O)N(CCO)CCNC(=O)C1(CF)CC1 1057030498 UECUUOPGGCRYKP-UHFFFAOYSA-N 317.386 -0.070 30 20 DBED N#CCSCC(=O)N(CCO)CCNC(=O)c1ncccn1 1057030536 VFGNNBKREDQHNX-UHFFFAOYSA-N 323.378 -0.716 30 20 DBED CS(=O)(=O)CC(=O)N1CCCN(c2nccnc2C#N)CC1 1057100517 BLFVMKDIXVVYJE-UHFFFAOYSA-N 323.378 -0.568 30 20 DBED CCc1nc(C(=O)N(CCO)CCNC(=O)[C@H](C)C#N)co1 1057401142 JACZHQWXLOLYNZ-SNVBAGLBSA-N 308.338 -0.053 30 20 DBED CN1CC[C@@H](C(=O)NCCN(CCO)C(=O)C#CC2CC2)C1 1057535867 GPRRDWRIWDOTPJ-CQSZACIVSA-N 307.394 -0.711 30 20 DBED Cn1nnc(C(=O)N2CCC[C@H](Nc3cncc(C#N)n3)C2)n1 1057738718 UXFXMBBVDNWRQN-VIFPVBQESA-N 313.325 -0.412 30 20 DBED N#Cc1cncc(N2CC[C@H](NC(=O)[C@H]3COCCO3)C2)n1 1058304649 HBCKPWNHJIVVLI-CMPLNLGQSA-N 303.322 -0.541 30 20 DBED N#Cc1ccc(N2C[C@@H]3CC[C@H](C2)N3C(=O)Cc2nc[nH]n2)nn1 1058775514 JPEJVKZKMNIZCZ-TXEJJXNPSA-N 324.348 -0.111 30 20 DBED N#Cc1nccnc1N[C@H]1C[C@H](NC(=O)C[C@H]2CCNC2=O)C1 1059324759 UKAPSSBRWLWZFM-GMTAPVOTSA-N 314.349 -0.066 30 20 DBED C=CCOCC(=O)N1CC[C@@H](CCNC(=O)CNC(C)=O)C1 1059334112 ALDMIQLQXBXTHI-CYBMUJFWSA-N 311.382 -0.320 30 20 DBED C#CCCCC(=O)N1CC[C@H](CCNC(=O)[C@@H]2CNC(=O)N2)C1 1059551916 SVVCSMSJKYJCOM-STQMWFEESA-N 320.393 -0.174 30 20 DBED N#Cc1ccc(N[C@H]2C[C@@H](NC(=O)[C@H]3CCC(=O)N3)C2)nn1 1059586836 ZISVYDPWFUPVJL-OUAUKWLOSA-N 300.322 -0.314 30 20 DBED N#Cc1nc(=N[C@H]2C[C@@H](NC(=O)[C@H]3CC[C@H]3C(N)=O)C2)cc[nH]1 1059784168 GUJRXGHKZWIYMX-YTWAJWBKSA-N 314.349 -0.659 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCOC[C@H]1CNC(=O)CCOC 1061160747 OYFRPKPBIXPECM-DOMZBBRYSA-N 314.382 -0.306 30 20 DBED C=C(C)CCC(=O)N1CCOC[C@H]1CNC(=O)CNC(C)=O 1061224066 LGVRJMVDEBJTNN-CYBMUJFWSA-N 311.382 -0.178 30 20 DBED C=CCCC(=O)NC[C@H]1COCCN1C(=O)C[C@H]1CCNC1=O 1061411312 ZJLFJESLFMZOMP-OLZOCXBDSA-N 323.393 -0.178 30 20 DBED Cc1nc[nH]c1C(=O)N1CCOC[C@@H]1CNC(=O)[C@@H](C)C#N 1061850050 AGZSOKLULCOSOF-ONGXEEELSA-N 305.338 -0.165 30 20 DBED Cn1nncc1C(=O)N1C[C@@H]2CC[C@H](C1)N2c1ccnc(C#N)n1 1061959103 STGCEBAGROCGMV-PHIMTYICSA-N 324.348 -0.030 30 20 DBED Cn1ncc(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccnc(C#N)n2)n1 1062508810 XEKKOEBHXYKUEG-UWVGGRQHSA-N 310.321 -0.420 30 20 DBED N#Cc1cncc(N2CCO[C@H](CNC(=O)c3ccon3)C2)n1 1063615793 DKBFPYSVRBXEIT-LLVKDONJSA-N 314.305 -0.029 30 20 DBED N#Cc1nccnc1N1CCO[C@@H](CNC(=O)c2cnon2)C1 1063639147 NDDUDVJNYWIAHA-VIFPVBQESA-N 315.293 -0.634 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CN(C(=O)c2csnn2)CCO1 1065383251 ILYBHNBBTRADJE-IUCAKERBSA-N 309.351 -0.345 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(C(=O)[C@]2(F)CCOC2)CCO1 1065501225 BUTZBTQDRDRZGV-BBRMVZONSA-N 324.352 -0.128 30 20 DBED CN(C(=O)[C@H]1CCOC1)[C@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1065573333 RRDTVZCPNRGUEJ-DRZSPHRISA-N 317.349 -0.607 30 20 DBED C#CCCCC(=O)N1CCC[C@H](NC(=O)CNC(N)=O)CC1 1065824110 DTMMBDCVFZDQDH-LBPRGKRZSA-N 308.382 -0.045 30 20 DBED N#Cc1cccnc1N1C[C@H](O)[C@H](CNC(=O)c2ncccn2)C1 1067678996 XUOWGULXZPSKKS-OLZOCXBDSA-N 324.344 -0.030 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H]1COC2(C1)CN(C(=O)COCC)C2 1068869492 ZGUSOXBOFIIGKG-QWHCGFSZSA-N 324.377 -0.453 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1COC2(C1)CN(C(=O)Cc1ccon1)C2 1069002302 DGDQSMGADCTICJ-ZYHUDNBSSA-N 318.333 -0.137 30 20 DBED CCN(CC)CC(=O)N1CC2(C[C@H](NC(=O)[C@H](C)C#N)CO2)C1 1069002709 HIFYMQCPDHTRQD-OLZOCXBDSA-N 322.409 -0.026 30 20 DBED C=CCN1C[C@H]2C[C@@H]3CN(C(=O)c4ncn(C)n4)C[C@@]3(C1)O2 1070796613 JUFNNPBKEQKAEZ-LALPHHSUSA-N 303.366 -0.084 30 20 DBED C=CCOCC(=O)N[C@@H]1CCCN(C(=O)[C@@]2(C)CCNC2=O)C1 1071341634 PMBKOAMZRGLSDO-WBMJQRKESA-N 323.393 -0.178 30 20 DBED C#CCOCCC(=O)N1C[C@@H](NC(=O)c2cnn(C)n2)[C@H](C)C1 1072096812 FDNLMJBXVKRDNX-DGCLKSJQSA-N 319.365 -0.568 30 20 DBED C#Cc1ccc(C(=O)N2CCC(C)(NC(=O)C(N)=O)CC2)nc1 1073174127 UVOHIPGIXAMAIN-UHFFFAOYSA-N 314.345 -0.341 30 20 DBED CNC(=O)NCC(=O)N1CC[C@@H](NC(=O)C#CC2CC2)[C@H](C)C1 1073955146 RIRPHQTWNCGZSR-DGCLKSJQSA-N 320.393 -0.318 30 20 DBED C#CCCCC(=O)N1CC[C@@H](NC(=O)Cn2ncnn2)[C@H](C)C1 1073977298 MYICCPSWMPBPNS-CHWSQXEVSA-N 318.381 -0.170 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)c3cnn(CC)n3)C[C@H]21 1074236108 MPCYDGKVGOBBDJ-KGLIPLIRSA-N 303.366 -0.154 30 20 DBED C=CCCC(=O)NCC1(O)CCN(C(=O)[C@H]2CCNC2=O)CC1 1074659324 DZCNZTHGTAQBCY-LBPRGKRZSA-N 323.393 -0.442 30 20 DBED C[C@H](C#N)C(=O)N1CCC(O)(CNC(=O)c2cccnn2)CC1 1074705231 PDZKTYUWCAERFL-LLVKDONJSA-N 317.349 -0.280 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(O)(CNC(=O)Cc2cnc[nH]2)CC1 1074707131 UXSHRIPOFXRLBM-NSHDSACASA-N 319.365 -0.418 30 20 DBED C[C@@H](CCNC(=O)c1cnnn1C)NC(=O)c1c[nH]c(C#N)c1 1076334250 QQZFXGNSCWGOGO-VIFPVBQESA-N 315.337 -0.047 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H](C)CCNC(=O)[C@@H]1CCC(=O)N1 1077641399 NOJVOPPVFCRMSU-TUAOUCFPSA-N 311.382 -0.133 30 20 DBED C[C@@H](CCNC(=O)CN1C(=O)CN(C)C1=O)NC(=O)[C@@H](C)C#N 1078582384 DCMPWBQFLFOKGA-UWVGGRQHSA-N 323.353 -0.949 30 20 DBED CCN(C(=O)CNC(=O)OC)C1CN(C(=O)C#CC2CC2)C1 1079392236 NWCVFNHFHHQRFC-UHFFFAOYSA-N 307.350 -0.185 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(N(CC)C(=O)[C@H]2COC(=O)N2)C1 1079701749 MMXQOFXPGMDBHZ-ZYHUDNBSSA-N 323.349 -0.808 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@H](CNC(=O)COCC=C)C1 1081346871 NLYSVKSNQSZAHH-KGLIPLIRSA-N 308.378 -0.072 30 20 DBED C#CCCN1C[C@@H](NC(=O)[C@@H]2CCCN2CC#C)[C@H](OC)C1 1081810135 IXRYAHQKDWTAIZ-OWCLPIDISA-N 303.406 -0.077 30 20 DBED C=CCCN1C[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)C2)[C@H](OC)C1 1081914245 KIFZROPONLQOIO-JHJVBQTASA-N 316.423 -0.187 30 20 DBED C=CCN1C[C@@H](NC(=O)c2nc(O)nc(O)c2OC)[C@H](OC)C1 1082324331 KXTJAOPLJSTZLA-RKDXNWHRSA-N 324.337 -0.489 30 20 DBED C=CCCN1C[C@@H](NC(=O)[C@@H]2CCCS2(=O)=O)[C@H](OC)C1 1082378446 JCZPNHMTYPQMAL-UPJWGTAASA-N 316.423 -0.045 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)c2ccc3c(n2)OCCO3)C1 1083603328 RJWAELLDNKVXKV-OLZOCXBDSA-N 317.345 -0.349 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2cccc3oc(O)nc23)C1 1083646754 SWGOOSVXHHNEQI-ZJUUUORDSA-N 302.290 -0.168 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCn3c(cnc3C)C2)C1 1083781144 WKDCWJKGMDPCNR-YUELXQCFSA-N 302.378 -0.452 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2cnn(-c3nccs3)c2)C1 1083937057 KLYXNQTXZAENRI-MNOVXSKESA-N 318.362 -0.373 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@@H]2C1 1088104471 KSSDOVUOZYOWOR-ZOBORPQBSA-N 305.378 -0.567 30 20 DBED C#CCN[C@H]1CCCCCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 1088328066 HVCFUTSTXBIIMW-RYUDHWBXSA-N 306.366 -0.422 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2cc3c(cn2)OCCO3)[C@H](O)C1 1090330076 QTWJFDZZCWOALB-DGCLKSJQSA-N 317.345 -0.349 30 20 DBED CO[C@H](C)CC(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1O 1090395584 OQTLFZLQZYDIHM-YUSALJHKSA-N 305.338 -0.561 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2c(OC)ccnc2OC)[C@@H](O)C1 1090424098 WHOFASGMQKIQNC-NEPJUHHUSA-N 319.361 -0.103 30 20 DBED C#CCN1CC[C@H](NC(=O)c2ccc3nnn(C)c3c2)[C@@H](O)C1 1090760319 ORICXMWFMDYAFH-ZFWWWQNUSA-N 313.361 -0.234 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(c2ncc(F)cn2)C[C@@H]1O 1091093535 YNKYIVZJYOJAOJ-UHIISALHSA-N 310.329 -0.392 30 20 DBED CCOCC(=O)N[C@H]1CCN(c2nc(C)cc(C#N)n2)C[C@@H]1O 1092130433 VZVNWUAIYQLDQI-STQMWFEESA-N 319.365 -0.251 30 20 DBED CCCOCC(=O)N[C@@H]1CCN(c2cncc(C#N)n2)C[C@@H]1O 1092141995 CKHGYTGKOBRPJR-OLZOCXBDSA-N 319.365 -0.169 30 20 DBED CCOCCC(=O)N[C@@H]1CCN(c2cncc(C#N)n2)C[C@@H]1O 1092154157 RXSQKORWDIDKJV-OLZOCXBDSA-N 319.365 -0.169 30 20 DBED CCN1CCO[C@H](C(=O)NCCNc2nc(C)cc(C#N)n2)C1 1093655036 YVZUOWZPAUQFMT-ZDUSSCGKSA-N 318.381 -0.095 30 20 DBED N#Cc1cnc(NCCNC(=O)C2CS(=O)(=O)C2)c(F)c1 1093909880 JIWWQKGOGHLPHU-UHFFFAOYSA-N 312.326 -0.335 30 20 DBED C[C@@H]1C[C@@H](C(=O)NCCNc2ccc(C#N)nn2)CC(=O)N1 1093983146 SCARMYGHYBQTJE-NXEZZACHSA-N 302.338 -0.209 30 20 DBED N#CCN1CC(n2cc(CNC(=O)[C@H]3C[C@H]4C=C[C@H]3O4)nn2)C1 1094302696 VDPJMWPIANXGOA-HZSPNIEDSA-N 314.349 -0.382 30 20 DBED CN1CCOC[C@H]1C(=O)NCCCNc1ccc(C#N)nn1 1094395297 IKMODKPLZWNTNM-LBPRGKRZSA-N 304.354 -0.403 30 20 DBED CC(=O)NCC(=O)N1CCCN(c2ccc(C#N)nn2)CC1 1095161740 NSZNQPBBVAIWHM-UHFFFAOYSA-N 302.338 -0.477 30 20 DBED N#Cc1nccc(N2CCC(CNC(=O)CC(N)=O)CC2)n1 1095344772 NJLIGUDUXLCCHC-UHFFFAOYSA-N 302.338 -0.444 30 20 DBED CCC(=O)NCC(=O)NCCCN(C)c1cnc(C#N)cn1 1095498210 JURXGSUWIWYNKS-UHFFFAOYSA-N 304.354 -0.183 30 20 DBED CC(C)(C(N)=O)C(=O)N[C@H]1CCCN(c2cncc(C#N)n2)C1 1096212153 SLCDJMFNDFDYHM-JTQLQIEISA-N 316.365 -0.055 30 20 DBED CN(C)CCOCC(=O)N1CC[C@H](Nc2cncc(C#N)n2)C1 1096947372 RMPFJWHBZGWUMW-LBPRGKRZSA-N 318.381 -0.061 30 20 DBED CNC(=O)CC(=O)NC[C@H]1CCCN(c2nccnc2C#N)C1 1097296357 WTDLDIYPUXFAJP-LLVKDONJSA-N 316.365 -0.183 30 20 DBED COCC(=O)N(C)CC(=O)NC[C@H](C)N=c1cc[nH]cc1C#N 1098329737 NASPCLUKTNVLGV-NSHDSACASA-N 319.365 -0.603 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC[C@H](n2cc(CNCCO)nn2)C1 1098663829 JSYJWDIQKMBDLI-ZFWWWQNUSA-N 323.397 -0.540 30 20 DBED N#CCNCc1cn([C@H]2CCN(C(=O)CCCC(N)=O)C2)nn1 1098790250 QCDBNKPIDUNXLY-LBPRGKRZSA-N 319.369 -0.680 30 20 DBED C#CCCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 1099057388 WTYSUCSGDXSVFC-MKBNYLNASA-N 318.377 -0.422 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(Cc2nncs2)C[C@H]1O 1099737786 DNRRWALEMSRQQU-GHMZBOCLSA-N 312.395 -0.208 30 20 DBED C=CC(C)(C)C(=O)N[C@H]1CCN(CC(=O)N2CCC2)C[C@H]1O 1099944029 IPTBONQLNYKOMD-QWHCGFSZSA-N 309.410 -0.018 30 20 DBED N#CCN1CC[C@H](NC(=O)COCc2cccnc2)[C@@H](O)C1 1100090293 RVIOBRHMFBBHCR-KBPBESRZSA-N 304.350 -0.327 30 20 DBED Cc1noc(CCCC(=O)N[C@@H]2CCN(CC#N)C[C@H]2O)n1 1100113086 ZJVWZGAGGRMZTH-VXGBXAGGSA-N 307.354 -0.224 30 20 DBED C=CCN1CC[C@@H](NC(=O)CS(=O)(=O)C(C)C)[C@H](O)C1 1100114736 SMBNGYAMUBSIBT-VXGBXAGGSA-N 304.412 -0.453 30 20 DBED CCN1CCOC[C@H]1C(=O)NCC1CC(NCC#CCOC)C1 1100463363 BBGCDYBMROAYPF-GPANFISMSA-N 323.437 -0.159 30 20 DBED C#CCNC1CC(CNC(=O)CCn2cc[nH]c(=O)c2=O)C1 1100763045 DPRSZMVHTYJMKO-UHFFFAOYSA-N 304.350 -0.956 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)Cc2nonc2C)C1 1100813883 VTGMDXTZNHEPCF-UHFFFAOYSA-N 319.365 -0.846 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CCN(c2ccc3nnnn3n2)C1 1100950005 LZCQSRFMZDJJTD-ZJUUUORDSA-N 300.326 -0.379 30 20 DBED CC(=O)NCC(=O)N1CC[C@@H](CN(C)c2ccnc(C#N)n2)C1 1102425427 WVTRMISCCROEHJ-LBPRGKRZSA-N 316.365 -0.231 30 20 DBED C[C@@H](CC(N)=O)C(=O)N(C)[C@H]1CCN(c2cnc(C#N)cn2)C1 1102752119 CHGMKTUXJXTINA-JQWIXIFHSA-N 316.365 -0.103 30 20 DBED CC[C@H](CNC(=O)[C@H]1COCCN1C)N=c1cc[nH]c(C#N)n1 1103035888 ASXRGXPCZDDJMD-VXGBXAGGSA-N 318.381 -0.593 30 20 DBED CC[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)Nc1ccc(C#N)nn1 1103277892 QBBRNKHGRDCMBL-WPRPVWTQSA-N 303.326 -0.664 30 20 DBED Cc1c(C(=O)N2CC(n3cc(CNCC#N)nn3)C2)nnn1C 1105200111 YNPZZAQDBRXQCV-UHFFFAOYSA-N 315.341 -0.975 30 20 DBED CNC(=O)NCC(=O)N1CCC(OC2CN(CC#N)C2)CC1 1105713675 PCSKXAVOCOZVAV-UHFFFAOYSA-N 309.370 -0.869 30 20 DBED Cn1cc(C(=O)NC[C@H](O)CNc2ncccc2C#N)cn1 1105716032 HCVVHYOIBZEONO-GFCCVEGCSA-N 300.322 -0.110 30 20 DBED CCCN(C)CC(=O)NC[C@H](O)CNc1cncc(C#N)n1 1105910522 WQYULPMXUNQQRS-GFCCVEGCSA-N 306.370 -0.421 30 20 DBED Cc1nc(NC[C@@H](O)CNC(=O)[C@@H]2CCC(=O)N2)ccc1C#N 1105922705 WQFDTRSYGFKPHL-NEPJUHHUSA-N 317.349 -0.571 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H](O)CNc1cc(F)ncn1 1106154487 JLVBQLMHIGOOIR-NEPJUHHUSA-N 321.356 -0.398 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@H](O)CNc1nccc(C)n1 1106154517 KGQWMYGFNDWWLA-KGLIPLIRSA-N 317.393 -0.228 30 20 DBED N#Cc1nc(=NC[C@@H](O)CNC(=O)Cc2ccccc2)cc[nH]1 1106166548 RHARRCACXKCYKN-CYBMUJFWSA-N 311.345 -0.098 30 20 DBED C=C(C)CNC[C@@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@H]1C 1106517606 MJIFSFYJYZQLSB-ZIAGYGMSSA-N 308.426 -0.322 30 20 DBED C[C@H](CCNc1nccnc1C#N)NC(=O)[C@@H]1CNC(=O)N1 1106543850 UFPLGMLBDDGGLX-SCZZXKLOSA-N 303.326 -0.664 30 20 DBED C#CCNC[C@@H]1CN(C(=O)CCn2cc[nH]c(=O)c2=O)C[C@H]1C 1106769849 MUJAZYNHLCZGRV-CHWSQXEVSA-N 318.377 -0.756 30 20 DBED Cc1cc(C#N)nc(NC/C=C/CNC(=O)[C@H]2COC(=O)N2)n1 1107175215 IIHHQXANCSQWSX-KXMPLOMGSA-N 316.321 -0.151 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)COC[C@@H]1CCOC1 1107933822 ZKDMMCRZMVIPJE-VXGBXAGGSA-N 319.365 -0.260 30 20 DBED COCC(=O)N[C@@H](C)C(=O)N[C@H](C)CNc1cnc(C#N)cn1 1108173899 DVOSKGDZAAASEG-ZJUUUORDSA-N 320.353 -0.584 30 20 DBED C=CCOCCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H]1CN(C)C(=O)N1 1109596446 RIUFFICWVMZPDI-RFGFWPKPSA-N 322.409 -0.066 30 20 DBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cccnn1 1109873481 WHFVCKXAPDVKRV-WXHSDQCUSA-N 314.349 -0.549 30 20 DBED CCc1nc(C#N)cc(N2CC[C@](C)(NC(=O)C(N)=O)C2)n1 1110807926 QGZFKSZIUIXTJV-AWEZNQCLSA-N 302.338 -0.519 30 20 DBED C#CCO[C@H](C)C(=O)N(C)[C@H]1CN(c2cc(F)ncn2)C[C@@H]1O 1111190548 HSKHJJWOPPVJNO-WOPDTQHZSA-N 322.340 -0.338 30 20 DBED CCCN(C)CC(=O)N(CCO)CCNc1nccnc1C#N 1111492532 DOBCSRJDVNTBRE-UHFFFAOYSA-N 320.397 -0.077 30 20 DBED C[C@H]1CN(C(=O)CNC(N)=O)C[C@@H]1Nc1nccnc1C#N 1112306694 JZMJNCBHWUUWAY-WPRPVWTQSA-N 303.326 -0.725 30 20 DBED CCOCC(=O)NC[C@H]1CN(c2cncc(C#N)n2)C[C@H]1O 1112693045 WIGAGZZYCWYLNT-CMPLNLGQSA-N 305.338 -0.702 30 20 DBED C=CCOCC(=O)N1CCN(CC(=O)Nc2ccon2)CC1 1112704200 PZBIZALZEAYUSV-UHFFFAOYSA-N 308.338 -0.040 30 20 DBED CC(=O)NCC(=O)N1CCC[C@H]1CN(C)c1ccc(C#N)nn1 1112778470 MLJKIDRIEYJMFC-ZDUSSCGKSA-N 316.365 -0.088 30 20 DBED C[C@H](CNC(=O)[C@@H]1COCCO1)N(C)c1ccc(C#N)nn1 1113501882 PTNPJTALSIRJDC-PWSUYJOCSA-N 305.338 -0.295 30 20 DBED COCC#CCN1CCN(C(=O)C(=O)N2CC[C@H](C)C2)CC1 1113514438 OCIYTEFYLYEQAQ-AWEZNQCLSA-N 307.394 -0.351 30 20 DBED C[C@@H](CNC(=O)Cn1cnnc1O)N(C)c1ccc(C#N)nc1 1113569343 XLHNAVZMPXZIJI-JTQLQIEISA-N 315.337 -0.109 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)c3snnc3C)[C@H]2C1 1113839574 PSAKUKBHTAGJFO-UWVGGRQHSA-N 321.406 -0.191 30 20 DBED Cc1ccc(C(=O)N[C@H]2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]32)n1C 1113864875 PVBDJJAAHXNIBH-JYAVWHMHSA-N 315.377 -0.367 30 20 DBED Cn1nnc(CN2C[C@H]3C(NC(=O)C#CC(C)(C)C)[C@@H]3C2)n1 1114260934 VUQKMBPBYFWYKB-GHMZBOCLSA-N 302.382 -0.194 30 20 DBED N#CCNC(=O)CN1C[C@H]2C(NC(=O)C3(F)CCOCC3)[C@@H]2C1 1114381445 VTMOXMUHSHVXIG-GHMZBOCLSA-N 324.356 -0.809 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)C[C@@H]3CCC(=O)N3C)[C@H]2C1 1114663801 WWLUXJIQOKUTDX-SZOQZIPDSA-N 319.405 -0.307 30 20 DBED C#Cc1cncc(C(=O)NC2[C@@H]3CN(CC(=O)NCC)C[C@@H]23)c1 1114807866 GZTBESRUUGBZJB-ZIAGYGMSSA-N 312.373 -0.141 30 20 DBED C[C@@H](CCCN=c1cc[nH]c(C#N)n1)NC(=O)c1cnn(C)n1 1114961869 HVPZZWRTXZSXSN-JTQLQIEISA-N 314.353 -0.091 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)c3cc(CC)on3)[C@@H]2C1 1115132408 HNPNPTIXCHIVHG-VXGBXAGGSA-N 316.361 -0.354 30 20 DBED C=CCOCCN1C[C@H]2C(NC(=O)CS(=O)(=O)CC)[C@@H]2C1 1115300468 RZHWGMURDWUQAQ-VXGBXAGGSA-N 316.423 -0.330 30 20 DBED Cc1cc(NC(=O)CCn2cc[nH]c(=O)c2=O)nn1CCC#N 1116435960 SBJCRPZWLZDEBQ-UHFFFAOYSA-N 316.321 -0.016 30 20 DBED C=C[C@H]1CCCCN1C(=O)C(=O)N1CCO[C@@H](CNC(C)=O)C1 1117911723 FSASTXMYRPBMLE-KBPBESRZSA-N 323.393 -0.083 30 20 DBED COC[C@](C)(C#N)NC(=O)c1cc(S(N)(=O)=O)cnc1C 1118374498 RZOYGAJTEANTMW-LBPRGKRZSA-N 312.351 -0.304 30 20 DBED N#CCNC(=O)CNC(=O)NCCc1nnc(S)n1C1CC1 1118543599 PZMXDIBOIYACHC-UHFFFAOYSA-N 323.382 -0.617 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCC[C@@H](CF)C1 1119493414 JRONWLWVCCHELS-NSHDSACASA-N 320.386 -0.089 30 20 DBED N#Cc1nccnc1N[C@@H](CO)CNC(=O)Cc1cc[nH]n1 1121399842 QVMMRCZJTXXYCM-SNVBAGLBSA-N 301.310 -0.797 30 20 DBED C[C@]1(C(=O)NC[C@@H](CO)Nc2cncc(C#N)n2)CCOC1 1121914807 RIZCLALPKNPRIG-FZMZJTMJSA-N 305.338 -0.336 30 20 DBED Cc1ncc(CC(=O)NC[C@H](CO)Nc2ccc(C#N)nn2)o1 1122190010 LYKRXDWWLZPIGG-LLVKDONJSA-N 316.321 -0.224 30 20 DBED Cc1ccc(C#N)c(N[C@H](CO)CNC(=O)[C@@H]2CCNC2=O)n1 1122353602 CFNZIGQEEWLNFI-NWDGAFQWSA-N 317.349 -0.713 30 20 DBED CN1CCCC[C@@H]1C(=O)NC[C@H](CO)Nc1ccc(C#N)nn1 1122861511 TXEXUKADJSKQDK-CHWSQXEVSA-N 318.381 -0.278 30 20 DBED C[C@H](NC(N)=O)C(=O)N(C)C[C@H](O)CNc1ncccc1C#N 1124262228 KYWVKFCEHHBARQ-GXSJLCMTSA-N 320.353 -0.759 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)CO[C@@H](C)CC 1125825474 ULEBGYBNUSNEPB-NSHDSACASA-N 314.386 -0.481 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)C1CN(C(C)=O)C1 1126301643 CRAVOHBZVHEGSY-UHFFFAOYSA-N 322.409 -0.629 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)[C@@]12COC[C@@H]1C2 1127743290 KDEGBEAPIUEVSQ-WFASDCNBSA-N 308.382 -0.509 30 20 DBED C#CCN1CC[C@@H](c2n[nH]cc2CNC(=O)CC(=O)N(C)C)C1 1130431529 ZTDRTSFIIHIEBV-GFCCVEGCSA-N 317.393 -0.073 30 20 DBED N#CCNC(=O)CN1C[C@H]2C[C@@H]3CN(C(=O)C4CC4)C[C@@]3(C1)O2 1131167872 NCOPITVCIMLUJM-XJKCOSOUSA-N 318.377 -0.662 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)CNC(=O)C4CC4)C[C@@]3(C1)O2 1131184676 UKHPDIDHRPICGL-CKEIUWERSA-N 317.389 -0.553 30 20 DBED C[C@H]1CCN(C(=O)CC(C)(C)O)C[C@H]1CNCC(=O)NCC#N 1132782535 NYRVGFXTKVKFHS-QWHCGFSZSA-N 324.425 -0.139 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCCNCCCN1C(=O)CNC1=O 1134054601 MCPBJLJVXXDDAM-NEPJUHHUSA-N 324.381 -0.775 30 20 DBED COc1cc(C(=O)N[C@@H](C)C[C@H](C)NCC(=O)NCC#N)on1 1134135059 RIXAZVVLYSUXMD-UWVGGRQHSA-N 323.353 -0.191 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1ccc2cnccc2n1 1134324361 ZYALYNBTHLTKJJ-UHFFFAOYSA-N 312.333 -0.411 30 20 DBED CCN(CC)CC(=O)N[C@H](C)C[C@@H](C)NCC(=O)NCC#N 1135742931 BAMBWXRSXYGWHC-CHWSQXEVSA-N 311.430 -0.159 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)c1cn(C(C)C)nn1 1135981568 QSQOHRRHMSSINX-LLVKDONJSA-N 308.386 -0.131 30 20 DBED C#CCNC(=O)CN1CCCO[C@H](CNC(=O)c2cnco2)C1 1150048216 VZEVZOIYCJJUOI-GFCCVEGCSA-N 320.349 -0.755 30 20 DBED N#CCN1CCCO[C@H](CNC(=O)COC[C@H]2CCCO2)C1 1150832671 UNTYMWHCTHVNPU-ZIAGYGMSSA-N 311.382 -0.087 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)C(=O)Nc1cc(C)on1 1150978399 RJWHHTUBOZXZGI-SNVBAGLBSA-N 323.353 -0.682 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)CNC(=O)[C@@H](C)CC 1151346729 WFXSRXHIKJHKNW-RYUDHWBXSA-N 312.414 -0.455 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)[C@H](OC)C1CC1 1153078902 OWLYFXBZLBYYHR-BXUZGUMPSA-N 310.398 -0.122 30 20 DBED C=CCNC(=O)CN(CC)[C@H](C)CNC(=O)Cc1n[nH]c(C)n1 1153265989 FKJGFBPUVNADLT-LLVKDONJSA-N 322.413 -0.216 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)CCc1cscn1 1153291315 DQMALJBZTQMEAS-NSHDSACASA-N 308.407 -0.081 30 20 DBED CNC(=O)CC(=O)NCCC1=CCN(CC#CCOC)CC1 1159910926 DKPQNSXLZKSLAG-UHFFFAOYSA-N 307.394 -0.089 30 20 DBED CC#CCN1CCC(CNC(=O)CNC(C)=O)(COC)CC1 1162067611 KDKDLBLAFHVBNY-UHFFFAOYSA-N 309.410 -0.009 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCCCNCCN1C(=O)CNC1=O 1166986980 QOKDXUKGSGUYGK-NEPJUHHUSA-N 324.381 -0.775 30 20 DBED C[C@H](N[C@H]1CCN(C(=O)C#CC2CC2)[C@H]1C)C(=O)NC(N)=O 1178671983 UWFYZEHKTGQBEG-NHCYSSNCSA-N 306.366 -0.438 30 20 DBED CNC(=O)[C@@H](C)N1C[C@@H]2CCN(C(=O)CSCC#N)[C@@H]2C1 1186917406 NLOXRIHVJWJYBY-GRYCIOLGSA-N 310.423 -0.090 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)c2cccn(C)c2=O)C1 1187184473 JERMMJUCVQETRJ-GFCCVEGCSA-N 318.377 -0.508 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)c2cccc(O)n2)C1 1192014929 XOMONSSAWAGZOH-CHWSQXEVSA-N 307.350 -0.235 30 20 DBED C#CCCCCC(=O)N[C@@H]1CN([C@@H]2CCCN(C)C2=O)C[C@H]1O 1192320846 MYKAABGLPCOVHW-RBSFLKMASA-N 321.421 -0.038 30 20 DBED C=CCNC(=O)[C@H](C)N(C)[C@H]1CCN(C(=O)c2nc[nH]n2)C1 1192934186 ZVHBKHULXLCJFL-QWRGUYRKSA-N 306.370 -0.358 30 20 DBED CCC(CC)[C@H](C)C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1O 1194308662 MNNWAIXJPHMZEK-IACUBPJLSA-N 324.425 -0.140 30 20 DBED C#CCNC(=O)[C@H](C)N1CCCN(C(=O)CNC(=O)OC)CC1 1195045129 VIVXGEDMTDDSPP-LBPRGKRZSA-N 324.381 -0.985 30 20 DBED CC#CCCCC(=O)N[C@@H]1CN(Cc2nncn2C)C[C@H]1O 1195466633 CRVFRBLTYUMCKA-CHWSQXEVSA-N 305.382 -0.330 30 20 DBED C=C1CCC(C(=O)N[C@@H]2CN(CC(=O)NC(N)=O)C[C@H]2O)CC1 1195876182 JCIYAFZJSZGYIX-VXGBXAGGSA-N 324.381 -0.911 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)CC(=O)NCC2CC2)C1 1197604219 DXNZOSHVNIJMDU-VXGBXAGGSA-N 315.801 -0.184 30 20 DBED CCNC(=O)NC(=O)[C@H](C)NC1CCN(C(=O)[C@@H](C)C#N)CC1 1199817818 VNGDRYMSRALURU-QWRGUYRKSA-N 323.397 -0.039 30 20 DBED C#CCN[C@H]1C[C@@H](NC(=O)COCc2nncn2C)C12CCC2 1203558201 XSUHXTGCZICCIP-QWHCGFSZSA-N 317.393 -0.018 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CCN(C(=O)Cn2ccnc2)CC1 1204092768 QXUUSGUSRDQJNS-CYBMUJFWSA-N 317.393 -0.398 30 20 DBED C=CCOCC(=O)N1C[C@H]2CC[C@H]1[C@@H](NCC(=O)NC(N)=O)C2 1204095601 MOYYXKNBJMKKFC-SRVKXCTJSA-N 324.381 -0.647 30 20 DBED CNC(=O)NC(=O)CNCC1CCN(C(=O)[C@@H](C)C#N)CC1 1204799220 TXHRQLJWFLIWGD-JTQLQIEISA-N 309.370 -0.570 30 20 DBED C[C@@H]1CN([C@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)CSCC#N 1206090244 NQDXJAYJKNZLJB-MXWKQRLJSA-N 324.406 -0.515 30 20 DBED C#CCCNCC1CCN(C(=O)C2CC(=O)NC(=O)C2)CC1 1206575674 MPGNYJCLUMSTGX-UHFFFAOYSA-N 305.378 -0.109 30 20 DBED C#CCNC(=O)[C@@H](C)NCC1CCN(C(=O)c2cnon2)CC1 1206653621 IWMJKBSLVZNIOD-LLVKDONJSA-N 319.365 -0.351 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCCN(C(=O)COCC=C)C1 1207681041 ZHJSZQFFNSBSNM-KBPBESRZSA-N 307.394 -0.093 30 20 DBED CCn1ccc(C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@H]2C)n1 1209142176 HEAWSJXOPHHFJH-DGCLKSJQSA-N 318.381 -0.407 30 20 DBED C[C@@H]1CN(C(=O)CN2CCCC2)C[C@H]1NCC(=O)NCC#N 1216754138 JAOWAOFQVRRZNG-CHWSQXEVSA-N 307.398 -0.842 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)/C(C)=C/CC)C1 1219298318 QJZAXXYXGFSKRQ-NSJKMKOJSA-N 307.394 -0.358 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN([C@H](C)c2csnn2)C[C@@H]1O 1219609118 CCXVATWTNHVWTC-WZRBSPASSA-N 324.406 -0.200 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2conc2C)C1 1220264323 GBZGLHODQVJILY-NEPJUHHUSA-N 308.338 -0.940 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@H](CC)CCC)C1 1220631326 JJCPRZVJBUBYEY-MCIONIFRSA-N 309.410 -0.277 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)COc2ccc(C(N)=O)cc2)C1 1221014800 ZEVMNSUJRIRQAJ-KGLIPLIRSA-N 319.361 -0.488 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)COCC3CC3)[C@@H]2C1 1221307169 ICXUQHDPNFKLAP-HUUCEWRRSA-N 319.405 -0.305 30 20 DBED C=CCN1CC[C@@H]2CN(C(=O)C[C@H](NC(C)=O)C(N)=O)[C@@H]2C1 1221852251 XOFCBQCTUIIECT-FRRDWIJNSA-N 308.382 -0.915 30 20 DBED C[C@@H](C(=O)NC(N)=O)N1CCC(CNC(=O)C#CC2CC2)CC1 1223143606 WUNORNOMWBOTEJ-NSHDSACASA-N 320.393 -0.189 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)[C@H](CC)N(C)C)CC1 1224583064 JYGOUYUDHXKLHD-HNNXBMFYSA-N 322.453 -0.096 30 20 DBED C[C@@]1(C(=O)NCC2CCN(CC(=O)NCC#N)CC2)CCOC1 1224971773 MHQLRTYGMQDYGZ-MRXNPFEDSA-N 322.409 -0.119 30 20 DBED CCO[C@H](CC)C(=O)N(C)C[C@H]1CCN1CC(=O)NCC#N 1230958241 NCWKGWQDLBNPKM-CHWSQXEVSA-N 310.398 -0.026 30 20 DBED C=CCN1CC[C@@H](N(C)CCCNC(=O)CN(C)C(C)=O)C1=O 1234172527 HATHRNBNPCQNHH-CQSZACIVSA-N 324.425 -0.310 30 20 DBED Cc1ncc(CC(=O)N(C)C[C@H]2CCN2CC(=O)NCC#N)o1 1235319235 JZEDPYDUFFNUQM-GFCCVEGCSA-N 319.365 -0.302 30 20 DBED N#Cc1ccc(OC2CN(C(=O)CN3C(=O)CNC3=O)C2)cc1 1254910136 FLOUIBUAMULBJL-UHFFFAOYSA-N 314.301 -0.300 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N1CC[C@@H](S(C)(=O)=O)C1 1256620491 RHBQBZFEOLCYSZ-SNVBAGLBSA-N 324.424 -0.584 30 20 DBED C#CC1CCN(C(=O)C(=O)N2C[C@H](CO)OC(C)(C)C2)CC1 1261486556 AKGKJJYJHWEUGB-CYBMUJFWSA-N 308.378 -0.144 30 20 DBED CCONC(=O)CNC(=O)C(=O)NCC#Cc1ccccc1 1261531687 ODUPQCAZQILTMX-UHFFFAOYSA-N 303.318 -0.662 30 20 DBED C=CCOCCNC(=O)C(=O)N1CCO[C@]2(CCO[C@@H]2C)C1 1261582553 WMUJOHDGLROBHE-IUODEOHRSA-N 312.366 -0.288 30 20 DBED CS(=O)(=O)c1cc(C(=O)OCC(=O)NCC#N)cs1 1319754476 ALUCNFJLZJKEJE-UHFFFAOYSA-N 302.333 -0.052 30 20 DBED C#CCC[C@H](O)CNC(=O)C(=O)Nc1cc(C)nn1CCC#N 1321206613 PXXHZLVQLAWVKU-LBPRGKRZSA-N 317.349 -0.066 30 20 DBED N#CCCn1ccc(NC(=O)C(=O)N(CCO)CC(F)F)n1 1321254601 ZISFWIJEQBZJQC-UHFFFAOYSA-N 315.280 -0.179 30 20 DBED N#CCCNC(=O)C(=O)Nc1ccccc1OCCC(N)=O 1321360556 PEIBXUGFMYXDKR-UHFFFAOYSA-N 304.306 -0.091 30 20 DBED CNC(=O)CNC(=S)NN=Cc1cnc([C@H](C)O)s1 1322091628 DJZFTKOTYAPNRD-LURJTMIESA-N 301.397 -0.260 30 20 DBED C[C@H](COCC(F)(F)F)NC(=O)C(=O)N1CCO[C@H](C#N)C1 1322548494 XOIUANNJKZZTJO-RKDXNWHRSA-N 323.271 -0.179 30 20 DBED N#Cc1cc(C(=O)NC[C@@H]2CCC[C@@]23NC(=O)NC3=O)c[nH]1 1325022289 BFDKJKKNQCAFBG-LKFCYVNXSA-N 301.306 -0.006 30 20 DBED CC#CC[C@@H](CO)NC(=O)C(=O)N=c1ccnc2n(C)[nH]cc1-2 1326834819 QSAJSBRNDMUJBO-JTQLQIEISA-N 315.333 -0.829 30 20 DBED CN1C(=O)CN(CC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1=O 1330226701 XCGKLHYGZOTORE-NSHDSACASA-N 305.338 -0.921 30 20 DBED C=C(C)CN(C)c1nnnn1CCN1CCCS1(=O)=O 1334049456 WQYZDNIFNAKXFF-UHFFFAOYSA-N 300.388 -0.279 30 20 DBED C#Cc1ccc(NC(=O)C(=O)N2CC[C@@H](O)[C@H](CO)C2)cc1 1337366839 XKNNRWFDKIETBG-GXTWGEPZSA-N 302.330 -0.192 30 20 DBED O=C(CCN/C(O)=C1/N=CC=CC1=O)OCCN1CCOCC1 1339879610 ZUMBLEFQYDCPAR-PFONDFGASA-N 323.349 -0.222 30 20 DBED C=C(Cl)CNC[C@@H](C)NC(=O)CN1CCS(=O)(=O)CC1 1374842445 MKCGKEMIHWBSRZ-LLVKDONJSA-N 323.846 -0.436 30 20 DBED C[C@H](C#N)C(=O)N1CC(CNC(=O)CCn2ccccc2=O)C1 1374842502 ILTITWMHNMFXBH-GFCCVEGCSA-N 316.361 -0.027 30 20 DBED CN(C[C@H](O)CNCc1cnon1)C(=O)c1cc(C#N)c[nH]1 1382402704 RMWLCKHKSZBUBL-LLVKDONJSA-N 304.310 -0.508 30 20 DBED C[C@H](C#N)C(=O)N1CCN(CCNC(=O)c2ccncn2)CC1 1385581802 XHOUMRSYBYAOFJ-GFCCVEGCSA-N 316.365 -0.490 30 20 DBED C[C@H](C#N)C(=O)NC[C@@](C)(NC(=O)c1cn(C)nn1)C1CC1 1390830485 LFWRFEIYLXCPFT-YMTOWFKASA-N 304.354 -0.011 30 20 DBED Cc1cc(N(C)CCNC(=O)CCn2cnnn2)c(C#N)cn1 1396159054 QGCDFTGTBKUCAL-UHFFFAOYSA-N 314.353 -0.109 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@@H](O)CNC(=O)Cc2ccco2)c1 1399822663 OALRPRZEWYSXQT-NSHDSACASA-N 316.317 -0.071 30 20 DBED C[C@H](CNC(=O)[C@H](C)C#N)NC(=O)COCc1ccnn1C 1399997776 KCWNHYMITYMZCO-GHMZBOCLSA-N 307.354 -0.283 30 20 DBED C[C@H](C#N)C(=O)N(C)CC(C)(C)CNC(=O)Cn1ncnn1 1404268309 ZOODPOXKCPIBAG-SNVBAGLBSA-N 307.358 -0.566 30 20 DBED N#Cc1cn(CC(=O)NCC2CC3(C2)OCCO3)c(=O)nc1O 1412565866 ZMNAWUDMRWXFSN-UHFFFAOYSA-N 320.305 -0.910 30 20 DBED COCCN(CCNC(=O)CN(C)C(C)=O)C(=O)[C@@H](C)C#N 1413495200 YTCTWRXJIXJKGB-NSHDSACASA-N 312.370 -0.784 30 20 DBED N#CC1CN(C(=O)Nc2ccn(CCN3CCNC3=O)n2)C1 1414514602 VWAWQRNHFIQABB-UHFFFAOYSA-N 303.326 -0.104 30 20 DBED CCN1CCOC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@H](C)C#N)C1 1430179981 IFXFZOGANAPXCR-LPWJVIDDSA-N 308.382 -0.370 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1cnn2c1OCCC2 1433316136 CQBUTTRNTUTPFR-VHSXEESVSA-N 321.337 -0.968 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)CCN2CCCCC2)C1 1445647314 RBRFMFLUFBXWHV-MCIONIFRSA-N 322.409 -0.290 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H](CNC(=O)C2(NC(N)=O)CC2)C1 1447600319 UVFUNTHNIFSZFC-WDEREUQCSA-N 321.381 -0.298 30 20 DBED C[C@@H](CNc1[nH]c(=O)n(C)c(=O)c1C#N)CN1CCOCC1 1472704553 AJWCMOFLRPFFRF-JTQLQIEISA-N 307.354 -0.675 30 20 DBED CCn1nc(C(=O)N(C)CCN(C)C(=O)[C@@H](C)C#N)ccc1=O 1533034851 ZVZRBLPDGCUEDL-NSHDSACASA-N 319.365 -0.047 30 20 DBED Cn1cnc(C(=O)NC[C@@H](O)CNC(=O)c2c[nH]c(C#N)c2)c1 1533231442 ZRUDIVHGZGMMIM-NSHDSACASA-N 316.321 -0.859 30 20 DBED C#CCCN1CCN(S(=O)(=O)[C@H]2C[C@@H](C(=O)O)C2)CC1 1573301986 NXCYKQLIAFDYRK-TXEJJXNPSA-N 300.380 -0.180 30 20 DBED COC(=O)CCN(CC(=O)O)[C@@H](C)C(=O)NC1(C#N)CCC1 1574055523 CXOZUKMRIGEXEL-JTQLQIEISA-N 311.338 -0.113 30 20 DBED CC(C)C#CC(=O)N1CCO[C@@H](CNCCc2cnn[nH]2)C1 1575318190 HYJJMXJTCQXDCO-AWEZNQCLSA-N 305.382 -0.176 30 20 DBED C[C@@H](O)C[C@@H]1COCCN1c1cnc(-c2nn[nH]n2)c(C#N)n1 1575479648 GOGPFBJWOHWZPQ-RKDXNWHRSA-N 316.325 -0.496 30 20 DBED C#CCNC(=O)c1ccc(N2C[C@H](O)C[C@@H](C(=O)O)C2)nc1 1588485488 SFXCZOYYUDNGOR-VXGBXAGGSA-N 303.318 -0.284 30 20 DBED C#CCOCCC(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]2C(=O)O)C1 1588489502 BIZRUCANDWZJQR-KKOKHZNYSA-N 308.334 -0.490 30 20 DBED C=C(CCC(=O)O)C(=O)N1CCOC[C@H]1CNS(C)(=O)=O 1588618874 DAELAJCZNMDKCQ-SNVBAGLBSA-N 320.367 -0.816 30 20 DBED C[C@@H](NC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C1CN(CC#N)C1 1589943561 WEKFVJDMGJTHFS-MRVPVSSYSA-N 300.326 -0.232 30 20 DBED C[C@H]1CN(S(=O)(=O)N(C)[C@@H](C)CC#N)C[C@@H](C(=O)O)O1 1592222273 TXEPEQIPTFAZLT-GUBZILKMSA-N 305.356 -0.361 30 20 DBED C#CC[C@H](NC(=O)C1(S(C)(=O)=O)CCOCC1)C(=O)O 1602685695 XWTHLZAXQBWDJW-VIFPVBQESA-N 303.336 -0.827 30 20 DBED C=C(CCC(=O)O)C(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1 1602779018 ZCOBRMKOOMGXEA-SNVBAGLBSA-N 304.368 -0.100 30 20 DBED C=CCN1CC[C@H](OC(=O)Cn2cccc(C(=O)O)c2=O)C1=O 1602901569 PNNSVSNNZDFOJE-NSHDSACASA-N 320.301 -0.123 30 20 DBED N#Cc1nc(=N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3C(=O)O)C2)cc[nH]1 1608225542 QODVIJAIUDNAHF-ZYUZMQFOSA-N 301.306 -0.450 30 20 DBED C=CCNC(=O)CNS(=O)(=O)CC1(C(=O)O)CCCC1 1609398716 DNTPBXGOFADSMG-UHFFFAOYSA-N 304.368 -0.147 30 20 DBED COC[C@]1(CO)CCN(S(=O)(=O)N(C)C[C@H](C)C#N)C1 1645929043 WIFIZWVQAXNKQY-VXGBXAGGSA-N 305.400 -0.347 30 20 DBED C#CCNC(=O)CN(CC)CCCNC(=O)c1ccnc(C)n1 1752230677 XUPFEZRLZIRCGI-UHFFFAOYSA-N 317.393 -0.024 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H](C)CNC(=O)c1cc(C)nnc1C 1752875591 WAEAHOXFKCRNKN-YPMHNXCESA-N 317.393 -0.061 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@@H](CNCC(=O)NCCC)C1 1752939536 ULFFBSGEVRQAQU-KGLIPLIRSA-N 309.410 -0.011 30 20 DBED CC(C)C#CC(=O)NCC1CN(C[C@H](O)CN2CCCC2=O)C1 1753401574 KJEFLABOXHXMBI-HNNXBMFYSA-N 321.421 -0.323 30 20 DBED CC[C@H](CNC(=O)c1ccc2nnnn2c1)NCC#CCOC 1753478978 JXMZTBUDIKYDRG-CYBMUJFWSA-N 316.365 -0.128 30 20 DBED COCC#CCNC[C@@H](O)CNC(=O)c1nnn(C(C)C)c1C 1753932775 WBDZPIRNQOZKNL-CYBMUJFWSA-N 323.397 -0.502 30 20 DBED C#CCNC(=O)CNC[C@H](C)NC(=O)CCN1CCCCC1 1754296417 LEZXUTOWORSSFK-AWEZNQCLSA-N 308.426 -0.294 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)C[C@H](C)NC(=O)c1c(C)ncn1C 1754315984 LOBADKMCCHOZSO-WCQYABFASA-N 319.409 -0.083 30 20 DBED C#CCNC[C@@H]1CCCC[C@@H]1NC(=O)Cn1nc(C)n(C)c1=O 1754351129 KSVLNKMPSKZVDR-KBPBESRZSA-N 319.409 -0.212 30 20 DBED C#CCNC[C@H]1CC[C@H](NC(=O)CN2CC(=O)N(C)C2=O)CC1 1754957158 OOEXZRIFVJZMRY-JOCQHMNTSA-N 320.393 -0.222 30 20 DBED C#CCCN[C@]1(CO)CCCN(C(=O)C(C)(C)NC(C)=O)C1 1755090168 GZOCGKIPVXTBOM-MRXNPFEDSA-N 309.410 -0.133 30 20 DBED C=CCNC(=O)CN1CC([C@H](C)NC(=O)c2cnn(C)n2)C1 1755388145 XZGNODIAAXMOET-JTQLQIEISA-N 306.370 -0.833 30 20 DBED C#CCNC(=O)CN1CCO[C@@]2(CCN(C(=O)C(F)F)C2)C1 1755399868 SYPMGZUOUNVUAE-AWEZNQCLSA-N 315.320 -0.696 30 20 DBED Cn1cnc(C(=O)N2C[C@H](NCC(=O)NCC#N)C(C)(C)C2)c1 1755755240 JVQXTVXNNNWOJY-LBPRGKRZSA-N 318.381 -0.500 30 20 DBED C=C[C@@](C)(O)CC(=O)NC1CC(CNC(=O)c2ncn(C)n2)C1 1755933823 HJVTVTCBAZKXBG-QKFMDRJYSA-N 321.381 -0.233 30 20 DBED CC(C)C#CC(=O)N1C[C@H]2[C@H](CNC(=O)[C@H]3COCCO3)[C@H]2C1 1756190926 CEZLYTACNHFPPB-APIJFGDWSA-N 320.389 -0.118 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H](O)CN(C)C(=O)Cc1cnoc1 1756674483 MYAZGZGFGXKOEF-DGCLKSJQSA-N 323.349 -0.809 30 20 DBED Cn1ncc(C(=O)O)c1C=NN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C=C[C@H]2O1 1776102525 RQWKFJMXDJIQDH-GWOFURMSSA-N 316.273 -0.609 30 20 DBED C=CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CN1)CCO2 1783917053 DSSNCZVRZNXOCF-HEHGZKQESA-N 323.393 -0.885 30 20 DBED C[C@@H](NC=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC#N 1795421797 HLQUGGBDZGZIOO-NRWUCQMLSA-N 322.365 -0.986 30 20 DBED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)COC)CCO2 1834978733 PFGXPCXIAISFGF-HNNXBMFYSA-N 312.366 -0.335 30 20 DBED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)C1CC(O)C1)C2 1841598248 YLMXHVLUXOINJO-IYXRBSQSSA-N 320.389 -0.001 30 20 DBED N#CCC(=O)N1CC2(CCCN2C(=O)c2c[nH]c(=O)cn2)C1 1844762438 XMMGNKSFIGUZRQ-UHFFFAOYSA-N 301.306 -0.499 30 20 DBED N#Cc1cccc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)O)c1 19995274 LWSIKLBBTBAXAJ-SNVBAGLBSA-N 311.319 -0.445 30 20 DBED Cn1c(NCCCN2CCOCC2)c(C#N)c(=O)n(C)c1=O 28707376 UIKDJEXIERXBHX-UHFFFAOYSA-N 307.354 -0.910 30 20 DBED N#Cc1c(F)cccc1S(=O)(=O)N[C@@H](CCO)C(=O)O 70393984 GIYZZYTYZPBDNP-VIFPVBQESA-N 302.283 -0.189 30 20 DBED CS(=O)(=O)CCCNS(=O)(=O)c1ccc(C#N)nc1 166009941 GRMAPYBMYBBFCK-UHFFFAOYSA-N 303.365 -0.334 30 20 DBED CCN(C)C(=O)CNC(=O)CNC(=O)c1ccc(C#N)cc1 187270558 GOTHTFYYFOZPNT-UHFFFAOYSA-N 302.334 -0.117 30 20 DBED CC(C)/N=C(/NCC(=O)N(C)C)N1CCN2C(=O)CC[C@@H]2C1 262322911 SKKSLZBYUGTXCZ-GFCCVEGCSA-N 309.414 -0.265 30 20 DBED CC(=O)NCCN([C@@H](C)C(=O)O)S(=O)(=O)CC1(C#N)CC1 262392404 ITMFHWIZZLPDRE-VIFPVBQESA-N 317.367 -0.469 30 20 DBED C/N=C(/NC[C@@H](O)C(F)(F)F)N[C@@H]1CCc2nc(C)nn2C1 262753994 ALQIJLSDGRTNFL-RKDXNWHRSA-N 320.319 -0.010 30 20 DBED N#Cc1ccccc1OCC(=O)N1CCN(S(N)(=O)=O)CC1 264697608 SNFYVYZPTQSMTB-UHFFFAOYSA-N 324.362 -0.715 30 20 DBED C=CCNC(=O)CNC(=O)CNC(=O)COc1ccccc1 271962976 GTRBBUKQWIXVMA-UHFFFAOYSA-N 305.334 -0.400 30 20 DBED C=CCN(CC(=O)O)S(=O)(=O)c1cnn(CCOC)c1 275346235 SIBZRVJRVRSOKF-UHFFFAOYSA-N 303.340 -0.209 30 20 DBED Cc1cc(S(=O)(=O)NC[C@@H]2CC(C(N)=O)=NO2)ccc1C#N 281410092 HTBQESNZXWGRFA-JTQLQIEISA-N 322.346 -0.225 30 20 DBED C#CCNC(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F 285207632 WMHVHOTVBXRHSV-ZETCQYMHSA-N 301.290 -0.259 30 20 DBED CCc1nnc(CNc2c(C#N)c(=O)n(C)c(=O)n2C)s1 290790797 XMEDESVTLSOQJR-UHFFFAOYSA-N 306.351 -0.018 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CC[C@](C)(C(N)=O)C1 292353353 QGKQZMKSJQRYEA-WQGACYEGSA-N 323.393 -0.192 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC2CCN(C)CC2)C1=O 299470874 AGFAXGXTHTUFLE-UHFFFAOYSA-N 308.338 -0.826 30 20 DBED Cn1c(N[C@H]2CC(=O)N(C3CC3)C2)c(C#N)c(=O)n(C)c1=O 301505784 ZRZYFTPJGDEVCB-QMMMGPOBSA-N 303.322 -0.869 30 20 DBED C/C(O)=N/C1CN(/C(O)=N/CCN2CCCS2(=O)=O)C1 329807502 AESIRWODNDZNEE-UHFFFAOYSA-N 304.372 -0.404 30 20 DBED CN1C(=O)CC[C@H]1C(=O)N1CCN(C/C(O)=N/C2CC2)CC1 329966342 RTRMDJWRAQBPTO-LBPRGKRZSA-N 308.382 -0.130 30 20 DBED CC/N=C(/O)N1CC[C@H](N2C(=O)[C@@H]3[C@@H](O)CCCN3C2=O)C1 330360448 XCWWEOUJXJJQPE-DCAQKATOSA-N 310.354 -0.218 30 20 DBED C[C@H](O)C(=O)N1CCN(S(=O)(=O)CCCCC#N)CC1 330570065 XXYNABGOGFZZCY-NSHDSACASA-N 303.384 -0.465 30 20 DBED CCN(CC)C[C@H](C)/N=C(/O)N1CC[C@@H](S(N)(=O)=O)C1 331293842 RCYBFAQQXAFSIG-WDEREUQCSA-N 306.432 -0.007 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)CCSc2nnnn2C)C1=O 337067749 LBBKTXYKKWWXFV-JTQLQIEISA-N 324.410 -0.062 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)c2cnnc(C)c2)CC1 342303477 GJUGDWGJJYMMPX-UHFFFAOYSA-N 303.366 -0.155 30 20 DBED CC(C)[C@H](C#N)NC(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1cnn(C)c1 348449518 NHEHDFDVGSZXAU-YUTCNCBUSA-N 319.365 -0.017 30 20 DBED C=CCOC[C@@H]1NC(=O)N(C[C@@H]2CCCS(=O)(=O)C2)C1=O 348963181 YZYLOHFUJHQDLF-QWRGUYRKSA-N 316.379 -0.066 30 20 DBED COC(=O)CN1CCN(CC(=O)N[C@@](C)(C#N)C2CC2)CC1 349026676 KNSPTWAJPQVFAW-HNNXBMFYSA-N 308.382 -0.415 30 20 DBED C=C[C@H](CO)NS(=O)(=O)c1cccc(S(N)(=O)=O)c1 349779895 ARWFOCCKOBWZPV-MRVPVSSYSA-N 306.365 -0.841 30 20 DBED N#Cc1cccc(NCC(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)c1 352449568 ANOZUZBHITXFJU-LBPRGKRZSA-N 313.317 -0.267 30 20 DBED COC[C@@](C)(C#N)NC(=O)CSCC(=O)N1CCOCC1 353436805 JJBWNGQFWVOVTC-CYBMUJFWSA-N 315.395 -0.377 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)CCc2cncn2C)CC1 353830839 XBELNHBIDFRKHF-UHFFFAOYSA-N 319.409 -0.201 30 20 DBED Cn1nnc(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)n1 362985538 DSFVKNLOFFMRTO-UHFFFAOYSA-N 323.294 -0.532 30 20 DBED N#Cc1ccc(N2CCN(C(=O)Cn3cccnc3=O)CC2)cn1 374920213 ZTXJLEDMYZPSAY-UHFFFAOYSA-N 324.344 -0.141 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[C@H](CC(N)=O)C1 377340024 QDUNHHDKSAICBP-GHMZBOCLSA-N 302.400 -0.090 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CC[C@H](C)[C@@H](CN)C2)nn1 424548946 QOPDSBLKVFIXKH-RYUDHWBXSA-N 320.397 -0.476 30 20 DBED N#CCCNC(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 426446160 UBVMQJCTLVFOAF-LLVKDONJSA-N 318.399 -0.312 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)C[C@H](C)CC(=O)OC)CC1 491228921 DECWXCDIVFTSPA-ZDUSSCGKSA-N 323.393 -0.531 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@@](C)(OC)C2CC2)CC1 491624374 GXFMHMWKVXTEQH-INIZCTEOSA-N 307.394 -0.305 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@@H](CCOC)C(=O)O 574695288 IFPUKTBDFJSFEU-UWVGGRQHSA-N 307.372 -0.208 30 20 DBED CC(C)(C#N)CCS(=O)(=O)N1CC[C@@H](S(N)(=O)=O)C1 576506626 VUAYVXPFPJZJGF-SECBINFHSA-N 309.413 -0.381 30 20 DBED C=CCOCCCC(=O)N1CCN(S(=O)(=O)N(C)C)CC1 608109349 XFGGOQLZOVSXPP-UHFFFAOYSA-N 319.427 -0.080 30 20 DBED C=CCn1cc(C(=O)N2CCN(c3nnc(C)n3C)CC2)nn1 640547691 ODBGQBVFNOPINR-UHFFFAOYSA-N 316.369 -0.137 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCCOC(C)C)C1=O 673008035 AJUXXFGKSHMGQF-LBPRGKRZSA-N 311.382 -0.227 30 20 DBED N#Cc1cccnc1NCCNC(=O)CN1CC(=O)NC1=O 731870968 AIVXKLLOUVVQSI-UHFFFAOYSA-N 302.294 -0.967 30 20 DBED C#CCOCCNC(=O)N(CCOC)[C@H]1CCS(=O)(=O)C1 753382512 JLEZIOXFVFYJLP-LBPRGKRZSA-N 318.395 -0.519 30 20 DBED CS(=O)(=O)[C@@H]1CCCC(=NNC(=S)NCC(N)=O)C1 788429182 GOOAOAYJEQZCOW-MRVPVSSYSA-N 306.413 -0.721 30 20 DBED Cn1nncc1CNC(=O)NCCNc1ccc(C#N)cn1 806412286 PBUSIFVCDVCWIR-UHFFFAOYSA-N 300.326 -0.007 30 20 DBED CC(C)S(=O)(=O)CCNS(=O)(=O)N(C)[C@@H](C)CC#N 808348490 RTEHKJHJHDCAGR-JTQLQIEISA-N 311.429 -0.122 30 20 DBED C=CCS(=O)(=O)CCNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 819221420 FMGGJMYQYPDUMK-LLVKDONJSA-N 318.355 -0.657 30 20 DBED N#C[C@@H]1COCCN1S(=O)(=O)c1cccc(-c2nn[nH]n2)c1 822805993 HVEFMGDQJCUNPN-SNVBAGLBSA-N 320.334 -0.220 30 20 DBED C=CCCO[C@H](C)C(=O)NN1C(=O)[C@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C1=O 828691134 IDYIJCYVBLHWPO-JCIQBVFBSA-N 306.318 -0.063 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)CCCOC)CC1 831556086 GQMNSZHLPAMCAC-UHFFFAOYSA-N 303.384 -0.975 30 20 DBED CNC[C@@H](C)NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 852920995 HTILCEVCBPSBBT-SNVBAGLBSA-N 324.406 -0.161 30 20 DBED C#CCOc1ccc(NC(=O)C(=O)N2C[C@H](O)[C@@H](O)C2)cc1 861986783 ZIIOKZHGBLJOOT-STQMWFEESA-N 304.302 -0.799 30 20 DBED COCCn1cc(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)nn1 863947236 ZSAJQJSZAPWOEF-GFCCVEGCSA-N 304.354 -0.263 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N(C)CCn1cccn1 875598863 MDYZMGJJAHDELY-ZDUSSCGKSA-N 306.366 -0.114 30 20 DBED C=CCN1CCN(CN2CC[C@H](CS(N)(=O)=O)C2)C1=O 902526379 DSEXUKFRLDJRQG-NSHDSACASA-N 302.400 -0.522 30 20 DBED Cn1cc(C=NNc2ncnc3[nH]cnc23)c(=O)n(C)c1=O 917555714 MRHMUOJDGNWLTQ-UHFFFAOYSA-N 300.282 -0.804 30 20 DBED C#CCN1CCC[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 923577885 AAWYLKKQRPGDFB-NSHDSACASA-N 314.349 -0.715 30 20 DBED C#CCNC(=O)CN1CCN([C@@H](C(=O)OC)[C@H](C)CC)CC1 929510667 IVTPEXRKVNNJEY-UKRRQHHQSA-N 309.410 -0.059 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H]1CNC(=O)[C@H]1CCC(=O)N1C 944253252 NWYBDBZIESEJCU-QJPTWQEYSA-N 306.366 -0.126 30 20 DBED Cn1cnc(C(=O)NC[C@@H]2CN(C(=O)C#CC3CC3)CCO2)n1 944586104 IJWOELVZNXVFCN-GFCCVEGCSA-N 317.349 -0.814 30 20 DBED CC#CCN1CCC[C@H](N(C)C(=O)CN2CC(=O)NC2=O)CC1 948865729 VFEXWWFLVLSDIT-ZDUSSCGKSA-N 320.393 -0.126 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2CCN2C(=O)[C@@H]2CCCO2)nn1 950047559 KHNRBTOGOIFGJT-YPMHNXCESA-N 319.365 -0.026 30 20 DBED O=C1NC[C@H](C(=O)N[C@H]2CCCN(C(=O)C#CC3CC3)C2)N1 950760940 BYYKPCQKHLSPQX-NWDGAFQWSA-N 304.350 -0.812 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2CCN2C(=O)Cn2cnnn2)cc1 951439916 SXFNCQDRNFFDLP-AWEZNQCLSA-N 324.344 -0.315 30 20 DBED C#CCCN1C[C@H](CNC(=O)c2cc(OC)n(C)n2)[C@@H](O)C1 958244147 OWKMTQLXTRFCLL-AAEUAGOBSA-N 306.366 -0.526 30 20 DBED CC#CCN1C[C@H](CNC(=O)c2c[nH]c(C(N)=O)c2)[C@@H](O)C1 958683424 GIAVHXBHNJQGQK-AAEUAGOBSA-N 304.350 -0.841 30 20 DBED Cc1c[nH]c(C(=O)N2CCO[C@@H]3CN(C(=O)[C@@H](C)C#N)C[C@@H]32)n1 960440801 XAKBIRDGQVAPAI-ZMLRMANQSA-N 317.349 -0.070 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CC[C@H](CNC(=O)c3cnon3)O2)C1 965557887 HZYOQGHPDBFUQB-NXEZZACHSA-N 319.321 -0.281 30 20 DBED COCC(=O)N1CC2(C[C@@H](NC(=O)c3ccc(C#N)[nH]3)CO2)C1 965690651 PQGVJELVNIWPIL-LLVKDONJSA-N 318.333 -0.368 30 20 DBED C=C(C)CN[C@@H]1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)C1 970161800 RNCBVWRNVGFELE-LLVKDONJSA-N 306.366 -0.536 30 20 DBED C#CCN1CC([C@@H](C)NC(=O)c2cn(C[C@@H]3CCOC3)nn2)C1 970662789 MMDDJAMZOZOLOJ-OLZOCXBDSA-N 317.393 -0.002 30 20 DBED CC#CCN1C[C@H]2CC[C@H]1CN2C(=O)CN1CCC(=O)NC1=O 971994621 OWEIJOBDWCKANV-QWHCGFSZSA-N 318.377 -0.373 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)c3cnn(CC)n3)C2)C1 972367735 MNBPXGOMSUWNMH-HNNXBMFYSA-N 303.366 -0.152 30 20 DBED CN(CC#N)[C@@H]1CCN(C(=O)c2cn([C@H]3CCOC3)nn2)C1 972692307 ZPLRFENKAZQOJI-NEPJUHHUSA-N 304.354 -0.091 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3CCC(=O)N3)C2)c1 973951027 SAIQSZCMVQINTL-OUAUKWLOSA-N 315.333 -0.458 30 20 DBED Cc1nc(CC(=O)N[C@H]2[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]32)n[nH]1 976473035 DGGNKALLVZOVKE-ATCWAGBWSA-N 313.361 -0.358 30 20 DBED CN(C[C@H]1CCN1C(=O)c1nc[nH]n1)C(=O)c1c[nH]c(C#N)c1 977584621 LZJZJWWGTCJQJC-LLVKDONJSA-N 313.321 -0.009 30 20 DBED C#CCCN1C[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C(C)(C)C1 977622764 SKWXQKCZOYCFLC-GFCCVEGCSA-N 318.381 -0.773 30 20 DBED CN(C[C@H]1CCN1C(=O)C#CC1CC1)C(=O)[C@H]1C[C@H]1C(N)=O 978403384 DHKIWIHVHGYPTL-UPJWGTAASA-N 303.362 -0.420 30 20 DBED C#CCN1C[C@@H]2CC[C@H](NC(=O)Cn3cnnc3O)C[C@H]2C1 979619390 QHWWJXKZVMZTQI-AVGNSLFASA-N 303.366 -0.166 30 20 DBED C[C@@]12CN(CC#N)C[C@]1(C)CN(C(=O)CN1C(=O)CCC1=O)C2 982792916 NGTSWFFWZFYKNI-IYBDPMFKSA-N 318.377 -0.171 30 20 DBED C[C@H]1C[C@@H](NCC#N)CN1C(=O)Cn1nc2ccccn2c1=O 989261950 UHGPYRKNAKABLE-NWDGAFQWSA-N 314.349 -0.401 30 20 DBED Cc1nc(O)nc(O)c1CC(=O)N1C[C@@H](NCC#N)C[C@H]1C 989595979 IRBFABSPTMLUIK-SCZZXKLOSA-N 305.338 -0.159 30 20 DBED C#Cc1ccccc1CC(=O)N1CC(NC(=O)c2ncn(C)n2)C1 991173880 YHIAPSQJSQQPPW-UHFFFAOYSA-N 323.356 -0.020 30 20 DBED O=C(N[C@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1O)C1CCOCC1 991177828 ABPPJLNKVDROME-GJZGRUSLSA-N 320.389 -0.096 30 20 DBED C#CCCN1CC[C@]2(NC(=O)Cn3ncn(C)c3=O)CCC[C@@H]12 991476320 VCBBBJQCDRBFQC-CZUORRHYSA-N 317.393 -0.282 30 20 DBED Cc1nnc2n1C[C@@H](C(=O)NC1CN(C(=O)[C@@H](C)C#N)C1)CC2 992757906 WPJBTKCRLMTDFL-ONGXEEELSA-N 316.365 -0.364 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN(C(=O)C[C@@H]2CCCO2)C1 994751080 MESXCWZCYOMZLU-GJZGRUSLSA-N 319.405 -0.020 30 20 DBED C=C(C)C(C)(C)C(=O)N1CC(NC(=O)C2CC(=O)NC(=O)C2)C1 995680661 YXTJFOICENYYOH-UHFFFAOYSA-N 321.377 -0.032 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC(CNC(=O)[C@@H]3CCC(=O)N3)C2)c1 1003475341 RDCIAGREUBCKAX-NSHDSACASA-N 315.333 -0.647 30 20 DBED N#Cc1ccc(C(=O)NCC2[C@@H]3CN(C(=O)CC(N)=O)C[C@@H]23)[nH]1 1008951091 LUNWFZKMMVODIN-QWRGUYRKSA-N 315.333 -0.804 30 20 DBED CN1CCO[C@H](C(=O)N2CCN(C(=O)C#CC3CC3)CC2)C1 1010876658 KXKFMJYWCZPSPS-AWEZNQCLSA-N 305.378 -0.599 30 20 DBED COc1nn(C)cc1C(=O)NC1[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]12 1013537017 GPESKGWVJRITLM-OPRDCNLKSA-N 317.349 -0.225 30 20 DBED C#Cc1cncc(C(=O)N[C@H]2C[C@@H](C)N(C(=O)C(N)=O)C2)c1 1013977835 WYOPDSSBBSEEGL-SKDRFNHKSA-N 300.318 -0.733 30 20 DBED C#Cc1cncc(C(=O)N2C[C@H](NC(=O)C(N)=O)CC[C@H]2C)c1 1018377410 YLFWXPOPJLGCDQ-ZWNOBZJWSA-N 314.345 -0.343 30 20 DBED N#Cc1ccccc1CN[C@H]1CCN(C(=O)Cn2cnnn2)C1 1018479279 FFIJLGYWEIGZOA-AWEZNQCLSA-N 311.349 -0.065 30 20 DBED CN1CC[C@H](C(=O)NC[C@H]2CCCN(CC#N)C2)S1(=O)=O 1023644420 LODWYIIBFUXHLE-VXGBXAGGSA-N 314.411 -0.628 30 20 DBED C=C(C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCNC2=O)C1 1025010695 VCNLNOHXAIJYCJ-QJPTWQEYSA-N 323.393 -0.587 30 20 DBED C=CCn1cc(C(=O)N2CC[C@@H](CN[C@@H]3CCNC3=O)C2)nn1 1027110365 LLXPHLSDMZRDAI-NWDGAFQWSA-N 318.381 -0.596 30 20 DBED C#CCN1CC[C@@H](CNC(=O)c2cn(C[C@@H]3CCOC3)nn2)C1 1028900337 ZXOKSGBWMSIYCY-KBPBESRZSA-N 317.393 -0.001 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCC[C@H](N[C@H]2CCNC2=O)C1 1030019202 OBYFFZGGRRSUKY-KKUMJFAQSA-N 318.421 -0.447 30 20 DBED C[C@@H](c1nnnn1C)N1CC(NC(=O)c2cc(C#N)c[nH]2)C1 1030196129 KGMOWHBBKXZVJD-QMMMGPOBSA-N 300.326 -0.415 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)c3n[nH]c(C)c3O)C2)C1=O 1030222061 DRQPVTJOCFSPPG-LLVKDONJSA-N 319.365 -0.375 30 20 DBED C=CCn1cc(C(=O)NC2CN(Cc3cn(CC)nn3)C2)nn1 1031071676 ZHBJARBEINUIMD-UHFFFAOYSA-N 316.369 -0.310 30 20 DBED C#Cc1ccc(C(=O)NCC2CN([C@@H]3CCN(C)C3=O)C2)cn1 1032138351 XUECDBXLQKIFSC-OAHLLOKOSA-N 312.373 -0.045 30 20 DBED Cn1c(C(=O)N2C[C@@H]3C[C@H]2CN3CC#N)c2n(c1=O)CCCC2 1032629625 FZDJMPCPXQYVNR-RYUDHWBXSA-N 315.377 -0.055 30 20 DBED CN(C(=O)Cc1ccc(C(N)=O)nc1)[C@H]1CCN(CC#N)C1 1033196929 XBAPKVDQMJHEGN-LBPRGKRZSA-N 301.350 -0.221 30 20 DBED C#CCCN1CCCC[C@@H](NC(=O)CN2C(=O)CNC2=O)C1 1034519231 BRCOBVYXXHACJW-GFCCVEGCSA-N 306.366 -0.468 30 20 DBED C=CCCN1CCO[C@@H](CNC(=O)c2cc(=O)n(C)cn2)C1 1035400690 RBPXNWSRRQMYAH-LBPRGKRZSA-N 306.366 -0.213 30 20 DBED C=CCN1CCO[C@H](CNC(=O)[C@H]2CN3CC4CC3(CO2)C4)C1 1035445231 BEOCZRPSZIGIHP-GYMHETDLSA-N 321.421 -0.147 30 20 DBED C#CCN1CC[C@H](C2CCN(C(=O)[C@@H]3CNC(=O)N3)CC2)C1 1039155568 TUXYFPIFVWYSMM-KBPBESRZSA-N 304.394 -0.139 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)[C@@H](C)OCC)C1 1041635374 BVOBYXMSUJAKKT-NEPJUHHUSA-N 312.366 -0.861 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)c2cc(C)nn2C)C1 1041746679 IGLMEXMFKWLPTB-UHFFFAOYSA-N 306.366 -0.002 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCCCN2C)C1 1042802635 MJVGZGPSDOUWEI-AWEZNQCLSA-N 321.421 -0.036 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)c2cnnn2CC)C1 1042909255 BPFHUXIZUFGINU-UHFFFAOYSA-N 321.381 -0.187 30 20 DBED C[C@@H]1COCC[C@@H]1C(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042961430 YCXFBJGPVBKQJR-OCCSQVGLSA-N 320.389 -0.238 30 20 DBED N#Cc1cccnc1N1C[C@H](O)[C@H](NC(=O)c2cnccn2)C1 1043834029 DKLVJIYARPLSFA-OLZOCXBDSA-N 310.317 -0.277 30 20 DBED C#CCN[C@H]1CCN(C(=O)CN2C(=O)NC(C)(C)C2=O)[C@H](C)C1 1044845052 SDAVUDWFEXXLSC-NEPJUHHUSA-N 320.393 -0.081 30 20 DBED C=C(C)CN[C@@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)[C@@H](C)C1 1044882550 ZMSASQIHOUJEPS-NWDGAFQWSA-N 320.397 -0.078 30 20 DBED C=C[C@H](CC)CC(=O)N1CC(O)(CNC(=O)C2(C(N)=O)CC2)C1 1045493628 IMGXGUKVIMAKOZ-LLVKDONJSA-N 323.393 -0.456 30 20 DBED C=CCCCC(=O)N1CC(O)(CNC(=O)[C@@H](COC)OC)C1 1046242934 FTPAMCZTCIDDPK-GFCCVEGCSA-N 314.382 -0.306 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)CN2CCC[C@H]2C)C1 1046664538 IATZSJVSCSZSAL-VXGBXAGGSA-N 308.382 -0.680 30 20 DBED C#CCOCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cn[nH]c2)C1 1048350742 UDMVMVNMYUIOSN-STQMWFEESA-N 320.349 -0.907 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CN2CCCC2)C1 1048873477 GYRMTDMNBQBSMY-GJZGRUSLSA-N 321.421 -0.084 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)c2n[nH]cc2F)C[C@@H]1O 1049402530 UHLZWJFBLCUXLF-HGNGGELXSA-N 309.301 -0.648 30 20 DBED C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cn(CC(N)=O)nn1 1049918580 LYTBYNGWJGOCTH-QWHCGFSZSA-N 318.381 -0.372 30 20 DBED N#CCN1CCN([C@H]2CCN(C(=O)CC3OCCCO3)C2)CC1 1052017705 ROCMUIVYDFIBEV-AWEZNQCLSA-N 322.409 -0.118 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)c3cnc(C)nc3OC)CO2)C1 1053823122 DXAZSMINZDIQRY-GFCCVEGCSA-N 316.361 0.000 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)CN3CCCCC3=O)CO2)C1 1053857128 WTXOFPYRQGYVQD-GFCCVEGCSA-N 306.366 -0.518 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC[C@@](CO)(NC(=O)COC)C1 1055705760 SEKVUEZEKXBHET-IUODEOHRSA-N 312.366 -0.859 30 20 DBED N#Cc1nccc(N2C[C@H]3[C@H](NC(=O)[C@@H]4CCNC4=O)[C@H]3C2)n1 1056355916 QUXYSMDZXVMJHM-DNJQJEMRSA-N 312.333 -0.965 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCCN(CCO)C(=O)c1cn[nH]c1 1057075271 LHESQBOPCLPKRW-OLZOCXBDSA-N 322.365 -0.449 30 20 DBED CC(C)(C(N)=O)C(=O)N1CCCN(c2ccc(C#N)nn2)CC1 1057189886 MUHQMQYGRRQLBK-UHFFFAOYSA-N 316.365 -0.102 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)[C@@H]1[C@H]2COC[C@H]21 1057445091 HADHGKLBCQIASF-NHAGDIPZSA-N 308.378 -0.381 30 20 DBED N#Cc1nc(=N[C@H]2CCCN(C(=O)[C@H]3CCNC3=O)C2)cc[nH]1 1057724053 FCHKKASDTYLIHE-QWRGUYRKSA-N 314.349 -0.691 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)C[C@@H]1CCNC1=O 1057828207 NMPGOCUZNXVUPZ-LBPRGKRZSA-N 311.382 -0.584 30 20 DBED N#CCSCC(=O)NCCN(CCO)C(=O)c1cc[nH]c1 1057842465 ZUPVIGDBXLRWFM-UHFFFAOYSA-N 310.379 -0.178 30 20 DBED C=CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)[C@@H](CC)OC 1057921626 LXXNKHUWXZQZPK-QWHCGFSZSA-N 316.398 -0.060 30 20 DBED N#Cc1nccnc1N1CCC[C@H](NC(=O)Cn2ncnn2)C1 1058197016 MCCARGVFILCVQT-JTQLQIEISA-N 313.325 -0.880 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)[C@@H](C)CC(N)=O 1058291876 LSQBDIOSTSKEKG-LBPRGKRZSA-N 311.382 -0.906 30 20 DBED N#Cc1ccc(N2CC[C@@H](NC(=O)C[C@H]3COC(=O)C3)C2)nn1 1058339038 ICWUAWXNGHUJBN-ZYHUDNBSSA-N 315.333 -0.004 30 20 DBED C=CCCCC(=O)N(CCO)CCNC(=O)CCn1cnnn1 1058624832 LAZPDMFXKUEPTJ-UHFFFAOYSA-N 324.385 -0.643 30 20 DBED COc1nn(C)cc1C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N 1058661092 OPSUNQUTGPGRSF-JTQLQIEISA-N 323.353 -0.861 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)[C@H](C)c1cncnc1 1058663459 TYTUFVNINZYAOR-NWDGAFQWSA-N 319.365 -0.323 30 20 DBED C=C[C@](C)(CC)C(=O)N(CCO)CCNC(=O)Cn1nccn1 1058728396 SJHXMCGLNNQMQY-OAHLLOKOSA-N 323.397 -0.183 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@@H]1CCN(C(=O)COCC)C1 1059079166 FBODXTYEYXILIQ-CYBMUJFWSA-N 323.393 -0.483 30 20 DBED N#Cc1cnc(N[C@H]2C[C@@H](NC(=O)Cn3ncnn3)C2)c(F)c1 1059725963 GDKDUBISQWFSGW-AOOOYVTPSA-N 316.300 -0.162 30 20 DBED CS(=O)(=O)CC(=O)N1CC[C@H](CN=c2cc[nH]cc2C#N)C1 1060825045 NJPJREGEDDQLFK-LLVKDONJSA-N 322.390 -0.320 30 20 DBED C=CCOCC(=O)NC[C@H]1COCCN1C(=O)c1nc(C)c[nH]1 1061425804 IGOVDJOTQMPPAF-LBPRGKRZSA-N 322.365 -0.122 30 20 DBED Cc1ccc(C(=O)N2CCOC[C@@H]2CNC(=O)[C@H](C)C#N)nn1 1061847355 KXHYLJITYBRPDP-PWSUYJOCSA-N 317.349 -0.098 30 20 DBED CN(C(=O)Cn1cncn1)[C@@H]1CCN(c2ccnc(C#N)n2)C1 1062932850 HOSHBDQJHAOTJO-LLVKDONJSA-N 312.337 -0.323 30 20 DBED CN(C(=O)Cn1nccn1)[C@@H]1CCN(c2cncc(C#N)n2)C1 1062984280 UWMJUMHEWLYUJE-GFCCVEGCSA-N 312.337 -0.323 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)Cn2cncn2)CCO1 1065639355 VZPSAWPLCRUYRC-ZDUSSCGKSA-N 319.365 -0.719 30 20 DBED N#Cc1cncc(N2C[C@H]3CN(C(=O)Cn4nccn4)C[C@H]3C2)n1 1066032896 QTSGGEXMUXOVCG-TXEJJXNPSA-N 324.348 -0.465 30 20 DBED CC(C)C#CC(=O)N(C)CCCN(C)C(=O)[C@H]1CN(C)C(=O)N1 1067362861 BXWHMPKTOURWRO-CYBMUJFWSA-N 322.409 -0.024 30 20 DBED C[C@H](C#N)C(=O)N(C)CCCN(C)C(=O)C[C@H]1CCNC1=O 1067593020 UKWGVDALUONOMY-VXGBXAGGSA-N 308.382 -0.021 30 20 DBED Cn1nnc(C(=O)NC[C@H]2[C@@H]3CN(c4ccc(C#N)cn4)C[C@H]23)n1 1068193288 YFGUYDVZHRIFMR-CNDDSTCGSA-N 324.348 -0.411 30 20 DBED C=CC(C)(C)C(=O)N1CCOC2(CN(C(=O)CNC(N)=O)C2)C1 1068423906 YIIKCLAEHZQFSP-UHFFFAOYSA-N 324.381 -0.693 30 20 DBED N#Cc1nc(=NC[C@H]2C[C@H](NC(=O)[C@@H]3CCC(=O)N3)C2)cc[nH]1 1068508529 YRUAEABJAODUSK-DCAQKATOSA-N 314.349 -0.645 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2cnsn2)C1 1069900307 YYFQVVCUOKABPM-MNOVXSKESA-N 305.367 -0.029 30 20 DBED N#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2cncs2)C1 1069900971 GOHPOHJYDFSZPY-ZJUUUORDSA-N 303.351 -0.087 30 20 DBED Cc1ccnc(C(=O)N[C@@H]2CN(CC#N)C[C@@H]2n2ccnn2)n1 1069917587 ZCIOYQBPQJNNFQ-NEPJUHHUSA-N 312.337 -0.445 30 20 DBED C=CCN1C[C@H]2C[C@H]3CN(C(=O)[C@@H]4COC(=O)N4)C[C@@]3(C1)O2 1070793447 ILJMCSSSYKNECC-OZTPJHRESA-N 307.350 -0.418 30 20 DBED C#CCN[C@@H]1CCO[C@H]1C1CCN(C(=O)Cn2nccn2)CC1 1071059071 VBKLONJXCDSBIO-ZBFHGGJFSA-N 317.393 -0.103 30 20 DBED C#CCN1CC[C@]2(C1)CN(C(=O)CCn1cnnn1)C[C@@H](C)O2 1071223763 UANJGPPCDSZNDK-HIFRSBDPSA-N 318.381 -0.612 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H](C)[C@H](NC(=O)C2(C)CC2)C1 1071943676 QCUQLUYRDPSURH-NWDGAFQWSA-N 305.378 -0.111 30 20 DBED CNC(=O)CC(=O)N1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@H](C)C1 1071967879 RRTAOKYGKVDUBR-BXKDBHETSA-N 317.349 -0.401 30 20 DBED C#CCOCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)c2nc[nH]n2)C1 1072101608 PUXWVLHVFOONPR-MNOVXSKESA-N 305.338 -0.579 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@@H]1C 1072390187 MZYUYVAUQJBSNE-WCQYABFASA-N 321.381 -0.016 30 20 DBED C=CCCN1CCO[C@@H]2CCN(C(=O)CS(C)(=O)=O)C[C@@H]21 1074188091 NCDJILFISZMURK-QWHCGFSZSA-N 316.423 -0.091 30 20 DBED C#CCCN1C[C@@H]2CCN(C(=O)[C@@H]3CCS(=O)(=O)N3)[C@@H]2C1 1076582047 ITUOUZYEVBNOFJ-RWMBFGLXSA-N 311.407 -0.766 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3cnn(C)c3C2)C1 1077573608 NHBYSQZOMVJNBY-NJZAAPMLSA-N 304.394 -0.128 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CO)(NC(=O)c2cnn(C)n2)CC1 1080912925 NOFXROGANHDYPO-JTQLQIEISA-N 320.353 -0.942 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)c2cn(CC)nn2)C[C@H]1O 1081335769 PFSGSCWSPPHGLE-WCQYABFASA-N 321.381 -0.187 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(C(=O)C2(C)CC2)C[C@H]1O 1081489605 WYXPNEVWTAQEBE-CHWSQXEVSA-N 308.378 -0.238 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2conc2C)C1 1081719705 VTFYLMKIJNVCBC-WCQYABFASA-N 323.349 -0.265 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CCN(C)C)C1 1081731314 ZMXSKURRACPVRL-QWHCGFSZSA-N 313.398 -0.924 30 20 DBED CC#CCN1C[C@@H](NC(=O)c2cn3c(n2)COCC3)[C@H](OC)C1 1081851110 ICZKUDSSIHMXNM-TZMCWYRMSA-N 318.377 -0.134 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(CC(N)=O)C[C@H]2OC)cc1 1082012743 HHJIQYXEBAZIKQ-ZIAGYGMSSA-N 301.346 -0.418 30 20 DBED C[C@@H]1CN(C(=O)[C@@H](Cn2cccn2)N(C)C)C[C@H]1NCC#N 1082558185 CWUQUQKVRIWBFA-MGPQQGTHSA-N 304.398 -0.227 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)CN3C(=O)CN(C)C3=O)[C@@H]2C1 1084818125 KNTUCYIFHCFQBI-VXGBXAGGSA-N 304.350 -0.954 30 20 DBED C[C@H]1CC[C@@H](NC(=O)CNC(N)=O)CN1c1nccnc1C#N 1089109158 FMRMAOPEGSANBH-VHSXEESVSA-N 317.353 -0.510 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)CCNC(N)=O)N=c1cc[nH]c(C#N)n1 1089317848 ANXIRBWIWAAUTL-VHSXEESVSA-N 319.369 -0.476 30 20 DBED CC1(C)C[C@H](NC(=O)Cn2c(O)nnc2O)CCN(CC#N)C1 1089546756 VESSSZKMCZTQPK-SNVBAGLBSA-N 322.369 -0.180 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2cn(CCOC)nn2)[C@H](O)C1 1090255147 DFTKJEOGNRVRHI-TZMCWYRMSA-N 321.381 -0.887 30 20 DBED COC[C@@H](C)C(=O)N[C@@H]1CN(c2nc(C)cc(C#N)n2)C[C@H]1O 1090388477 YQBCBBBYCYRLFP-OASPWFOLSA-N 319.365 -0.395 30 20 DBED COC(=O)c1nccc(N2C[C@@H](O)[C@H](NC(=O)[C@H](C)C#N)C2)n1 1090404386 NKZQBIAYMYQWTC-OPRDCNLKSA-N 319.321 -0.911 30 20 DBED N#CCN1CC[C@H](NC(=O)Cc2ccccc2C(N)=O)[C@@H](O)C1 1090483380 ROOYIJVHGCLITP-KBPBESRZSA-N 316.361 -0.597 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2ccc(=O)n(CCC)n2)[C@@H](O)C1 1090796090 NIHVBPQJFCTUMC-OCCSQVGLSA-N 318.377 -0.549 30 20 DBED COC[C@H](OC)C(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1C 1090820864 HITKYSZRFFBZOR-RTXFEEFZSA-N 319.365 -0.049 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCNc1nc(O)c2cnn(C)c2n1 1093572457 RHNTYINCRXCNBL-CQSZACIVSA-N 320.353 -0.076 30 20 DBED N#Cc1nccnc1NCCNC(=O)c1ccn2nnnc2c1 1094032760 UHQIPYUBNULACP-UHFFFAOYSA-N 309.293 -0.372 30 20 DBED Cc1nc(NCCNC(=O)[C@@H]2CC(=O)NC(=O)N2)ccc1C#N 1094168108 JILFVSVBNVYCTR-JTQLQIEISA-N 316.321 -0.612 30 20 DBED CN(C)CCOCC(=O)NCCCN=c1cc[nH]cc1C#N 1094503008 KOUYABHLVDMTKX-UHFFFAOYSA-N 305.382 -0.128 30 20 DBED N#Cc1cncc(N2CCC(CNC(=O)CC(N)=O)CC2)n1 1095345018 YZDUZLFXBRVUBD-UHFFFAOYSA-N 302.338 -0.444 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H]1CC(=O)N(CCOC)C1 1095492288 XZPATSYVDPVARK-KBXIAJHMSA-N 319.405 -0.164 30 20 DBED CNC(=O)NCC(=O)N[C@H]1CCCN(c2ccc(C#N)nn2)C1 1096239579 JUOFBYCRWUQNEE-NSHDSACASA-N 317.353 -0.638 30 20 DBED CNC(=O)C1(C(=O)N[C@H]2C[C@@H](N=c3cc[nH]cc3C#N)C2)CC1 1097197602 JDHHGCCAJIUXHZ-TXEJJXNPSA-N 313.361 -0.040 30 20 DBED C[C@@H](CNC(=O)c1cn(C)c(=O)n1C)N=c1cc[nH]c(C#N)n1 1097895407 VPGYKYZDHJUFAE-VIFPVBQESA-N 315.337 -0.962 30 20 DBED C[C@@H](CNC(=O)COCCN(C)C)N=c1cc[nH]c(C#N)n1 1097954148 RRJMXXLTEQMDSD-NSHDSACASA-N 306.370 -0.735 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCC(N(CCO)CCCO)CC1 1098354176 NAQWJTLEMSLLQL-MRXNPFEDSA-N 314.426 -0.019 30 20 DBED N#CCN1CC[C@@H](NC(=O)COCc2ccnc(O)c2)[C@H](O)C1 1099892017 GUSQUFZALKTQSW-CHWSQXEVSA-N 320.349 -0.621 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CCN2C(=O)CCC2=O)[C@@H](O)C1 1099909752 XILHLVRWTUPCLR-OLZOCXBDSA-N 321.377 -0.900 30 20 DBED CCc1nc(C#N)cc(N(C)CCNC(=O)[C@H](C)NC(C)=O)n1 1099910209 ROOOEWVAJZDICU-JTQLQIEISA-N 318.381 -0.012 30 20 DBED C=C(Cl)CN1CC[C@H](NC(=O)CC(=O)N(C)C)[C@@H](O)C1 1100027127 MJLNKJQDPOLIDX-QWRGUYRKSA-N 303.790 -0.231 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2nccs2)[C@H](O)C1 1100044455 WWKPKUUDANLYRS-NWDGAFQWSA-N 309.391 -0.042 30 20 DBED CCc1nc(C#N)cc(N(C)CCNC(=O)[C@H]2COC(=O)N2)n1 1100049456 GPWATGPLXCATBJ-SNVBAGLBSA-N 318.337 -0.429 30 20 DBED N#CCN1CC[C@@H](NC(=O)COCc2cccnc2)[C@@H](O)C1 1100090294 RVIOBRHMFBBHCR-KGLIPLIRSA-N 304.350 -0.327 30 20 DBED C#CCC1(C(=O)N[C@H]2CCN(CC(N)=O)C[C@H]2O)CCCCC1 1100136437 MPTOJYVUBQUSJP-UONOGXRCSA-N 321.421 -0.003 30 20 DBED CO[C@@H](C(=O)NCCN(C)c1ccnc(C#N)n1)[C@H]1CCOC1 1100250570 IMXROGJVHUKQSV-SMDDNHRTSA-N 319.365 -0.048 30 20 DBED CN(CCNC(=O)c1ccn2nnnc2c1)c1cncc(C#N)n1 1100278850 SQHIURLUKRLRFM-UHFFFAOYSA-N 323.320 -0.348 30 20 DBED CCOCC(=O)N1C[C@H]2CN(CC(=O)NCC#N)C[C@@]2(C)C1 1101114862 GXWHEPCVVJPDRE-DOMZBBRYSA-N 308.382 -0.557 30 20 DBED CN(CCNc1ccc(C#N)nn1)C(=O)c1cc(=O)n(C)o1 1101563310 YHGPUVDSAOEYDT-UHFFFAOYSA-N 302.294 -0.176 30 20 DBED CN(C(=O)C#CC1CC1)[C@H]1CCN(c2ccc3nnnn3n2)C1 1102700243 MWUQVWYTWPTJBG-LBPRGKRZSA-N 311.349 -0.030 30 20 DBED CC[C@@H](NC(C)=O)C(=O)NC[C@@H](C)CN=c1cc[nH]c(C#N)n1 1104210660 WBQRJIUGTBPZST-CMPLNLGQSA-N 318.381 -0.151 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H]1CN(c2cc(F)ncn2)CCO1 1104330355 NJSWYHZCBUVWNY-VXGBXAGGSA-N 322.340 -0.025 30 20 DBED C#CCNCC[C@@H]1CN(C(=O)c2cn(CC(N)=O)nn2)C[C@H]1C 1105063744 CNDQONDKLINFQK-VXGBXAGGSA-N 318.381 -0.916 30 20 DBED C#CCNCc1cn(C2CN(C(=O)[C@@H]3CCCCN3C)C2)nn1 1105271042 VELAIIBBIQQSEO-HNNXBMFYSA-N 316.409 -0.132 30 20 DBED CC(C)[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)Nc1ccc(C#N)nn1 1105278342 YYCGEOPSCJJAJB-MNOVXSKESA-N 317.353 -0.418 30 20 DBED CCn1nccc1C(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1 1105800043 FHWMCBZCOWREON-JTQLQIEISA-N 315.337 -0.811 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)CC2OCCCO2)cn1 1105809394 BMRXPIQOIRICOH-ZDUSSCGKSA-N 320.349 -0.005 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)CN2CCCC2)nc1 1105856056 MXPDGEVVQAXBOX-ZDUSSCGKSA-N 303.366 -0.062 30 20 DBED C=CC(C)(C)C(=O)NCc1cn(C2CN(CC(N)=O)C2)nn1 1107192464 MSAIWNVLTACGCJ-UHFFFAOYSA-N 306.370 -0.552 30 20 DBED N#Cc1cnc(NC/C=C\CNC(=O)C(=O)NCC2CC2)cn1 1107309769 MEUGVHYITNHVJP-UPHRSURJSA-N 314.349 -0.041 30 20 DBED N#Cc1ccc(NC/C=C\CNC(=O)[C@@H]2CCCNC2=O)nn1 1107390302 UMULNNDELIAKOP-BIOMNHJASA-N 314.349 -0.041 30 20 DBED C[C@@]1(CNC(=O)C2CCC2)CN(CC(=O)NCC#N)CCO1 1107678535 SNJVUESJVVAELJ-OAHLLOKOSA-N 308.382 -0.367 30 20 DBED C#CCNC(=O)CN1CCO[C@](C)(CNC(=O)[C@H]2CCCO2)C1 1107720943 SNRANMQOHMSNEI-CZUORRHYSA-N 323.393 -0.878 30 20 DBED C[C@H](C#N)C(=O)NC[C@@]1(C)CN(Cc2nc(O)n[nH]2)CCO1 1107821096 JFQUOQXWBATPHG-RNCFNFMXSA-N 308.342 -0.623 30 20 DBED C[C@@H](CNc1nccnc1C#N)NC(=O)c1cc(=O)n(C)o1 1108335421 ADSQBOGFCGPCMZ-QMMMGPOBSA-N 302.294 -0.130 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)c2cncc(C(N)=O)c2)C1 1108402715 LKNQILITLDCPQP-INIZCTEOSA-N 316.361 -0.366 30 20 DBED C=C(C)CN1CC(N2C[C@@H](NC(=O)[C@H](C)NC(C)=O)CC2=O)C1 1108500790 ZVUQGGMUUDVOLU-AAEUAGOBSA-N 322.409 -0.512 30 20 DBED C#CCCN1CC(N2C[C@H](NC(=O)C[C@H](C)OC)CC2=O)C1 1108518286 VZVBHFXTACJBQK-QWHCGFSZSA-N 307.394 -0.164 30 20 DBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cc1cnoc1 1109635622 LGDYTSVEPWBCAE-AGIUHOORSA-N 317.349 -0.422 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1[C@H]2C[C@H]1N(c1ccncc1C#N)C2 1109704090 LOBGKZDDXJPRTJ-KHIZAZIESA-N 323.356 -0.214 30 20 DBED CC(C)(C(N)=O)C(=O)N[C@H]1[C@H]2C[C@H]1N(c1cnc(C#N)cn1)C2 1109728307 MEFDPAZNYFONTA-XRNSZHNASA-N 314.349 -0.447 30 20 DBED C[C@H](C#N)C(=O)NC[C@]1(O)CCN(c2cnc(C#N)cn2)C1 1111041506 IWTAUQWFBRLKKQ-QMTHXVAHSA-N 300.322 -0.435 30 20 DBED CC(=O)N[C@@H](C)C(=O)N(CCO)CCNc1cnc(C#N)cn1 1111414103 WFNKJKNOLKIWGH-JTQLQIEISA-N 320.353 -0.894 30 20 DBED Cc1ncc(C(=O)N(CCO)CCNc2cncc(C#N)n2)[nH]1 1111428078 MNYOYVWICXFTGD-UHFFFAOYSA-N 315.337 -0.074 30 20 DBED N#Cc1ccc(NCCN(CCO)C(=O)[C@H]2CCOC2)nn1 1111445433 BZBRDBDTNHEQGA-NSHDSACASA-N 305.338 -0.382 30 20 DBED N#Cc1ccc(N2CCOC[C@@H]2CNC(=O)CC(N)=O)cn1 1111679325 JYEUDRSXKQHBFM-LBPRGKRZSA-N 303.322 -0.850 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)c2cnn(C)c2)CC1 1112606104 GWRRNYVECJJOLO-GFCCVEGCSA-N 305.382 -0.131 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)[C@H](C)n2cccn2)CC1 1112624279 VJVYSXXFBROVIP-KBPBESRZSA-N 317.393 -0.274 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1112701295 FZPLGHCBCZHWAI-RYUDHWBXSA-N 317.349 -0.536 30 20 DBED C#CCNC(=O)CC(=O)N1CCN(Cc2noc(CC)n2)CC1 1112774236 MVBBCAMQJABDEY-UHFFFAOYSA-N 319.365 -0.584 30 20 DBED CNC(=O)NCCC(=O)N[C@@H](C)[C@H](C)N=c1cc[nH]cc1C#N 1113002597 YKJUYYDYYVLIMH-QWRGUYRKSA-N 318.381 -0.001 30 20 DBED Cc1cc(N(C)[C@@H](C)CNC(=O)CNC(N)=O)c(C#N)cn1 1113509164 PKFJDGDOTGDQMZ-JTQLQIEISA-N 304.354 -0.129 30 20 DBED CN1CCCC[C@@H]1C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1114467303 WKLHPILZPMFKQO-COMQUAJESA-N 319.409 -0.843 30 20 DBED CC#CCN1C[C@H]2C(NC(=O)CNC(=O)C3CCOCC3)[C@@H]2C1 1114988456 FUGQYIRVKAHGIG-ZIAGYGMSSA-N 319.405 -0.401 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)[C@H]3CCCC(=O)N3C)[C@H]2C1 1115182611 OSXKJYPMXUEIGT-CTASWTNQSA-N 319.405 -0.307 30 20 DBED C=CCOCCN1C[C@@H]2C(NC(=O)CCc3cn(C)nn3)[C@H]2C1 1115358024 GJCDRYXELYXXGU-KBPBESRZSA-N 319.409 -0.003 30 20 DBED C#CCNC(=O)CC(=O)NCCOCCCNc1ncccn1 1115403564 YWBUDWGOKQKHSB-UHFFFAOYSA-N 319.365 -0.449 30 20 DBED C[C@@H](CN(C)C(=O)[C@]1(C)CNC(=O)C1)N=c1cc[nH]c(C#N)n1 1120361030 SSVKVLFMFCVSRA-BONVTDFDSA-N 316.365 -0.445 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H](CO)CNC(=O)CCc1ncc[nH]1 1121497659 QEHFIBBWDSGUDO-GFCCVEGCSA-N 314.349 -0.380 30 20 DBED Cc1cc(=N[C@H](CO)CNC(=O)[C@@H]2CCN(C)C2)c(C#N)c[nH]1 1121589606 GSTDMCXNVSUJJO-OCCSQVGLSA-N 317.393 -0.476 30 20 DBED Cc1nonc1C(=O)NC[C@H](CO)Nc1cncc(C#N)n1 1121734503 OFVRSOWFSCZBEX-SECBINFHSA-N 303.282 -0.758 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)CCCCC(N)=O)cn1 1122045925 ZMUOVZCZIXXVKS-ZDUSSCGKSA-N 319.365 -0.112 30 20 DBED N#Cc1cccnc1N[C@H](CO)CNC(=O)[C@@]1(F)CCOC1 1122411885 UFNHQSQINXIRPO-SMDDNHRTSA-N 308.313 -0.029 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)C[C@H]1CCCO1 1124174297 LDCOWZDNJRZLCI-NWDGAFQWSA-N 319.365 -0.430 30 20 DBED C=C[C@@](C)(O)CC(=O)N(C)C[C@H](O)CN=c1cc[nH]cc1C#N 1124265995 BIEKCTFJYGBXNM-CZUORRHYSA-N 318.377 -0.067 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)c1ccnc(F)c1 1124526739 PLIYLYASUJFODJ-UHFFFAOYSA-N 323.328 -0.448 30 20 DBED C=CCCC(=O)NCCNCC(=O)NC1CCN(C(C)=O)CC1 1124636468 OQNVNCOLVOQBTR-UHFFFAOYSA-N 324.425 -0.215 30 20 DBED CN(C[C@@H](O)CN(C)c1ccncc1C#N)C(=O)CC(N)=O 1125023852 HQYCZDUQBSEQDV-NSHDSACASA-N 305.338 -0.916 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)c1ccn(C)c1 1125667472 OLQHOBVQJKOLAJ-LLVKDONJSA-N 321.381 -0.255 30 20 DBED C#CCO[C@H](C)C(=O)NCCNCCCNC(=O)C(F)(F)F 1127046626 TWNHQMXTOSMTLA-SNVBAGLBSA-N 323.315 -0.201 30 20 DBED C=CCNC(=O)CNCCNC(=O)CNC(=O)c1ccoc1 1127962012 KYXARTCMEPYDLR-UHFFFAOYSA-N 308.338 -0.983 30 20 DBED COCC#CCNCCNC(=O)[C@@H](C)NC(=O)CC(F)(F)F 1127968206 WGAUMEGUZHJZJC-SNVBAGLBSA-N 323.315 -0.201 30 20 DBED C#CCCN[C@@H]1CN(C(=O)CCN(C)CC)C[C@@H]1n1ccnn1 1130081398 MLPLYYGOZACRIR-CABCVRRESA-N 318.425 -0.015 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CCCN(C(C)=O)C1 1131016390 FODBZLOEUZJTEG-GXTWGEPZSA-N 324.425 -0.359 30 20 DBED C#CCNC(=O)CNCCNC(=O)Cc1ccn(C(C)C)n1 1131571628 ZTGRGHWQIRAMAV-UHFFFAOYSA-N 305.382 -0.538 30 20 DBED CCN(CCC#N)C(=O)CN1C[C@@H](NC(=O)C(N)=O)CC[C@@H]1C 1132253706 YMTNJAIENQAXEF-RYUDHWBXSA-N 323.397 -0.797 30 20 DBED CC#CCCCC(=O)NCCNCC(=O)N[C@@H](C)C(=O)N(C)C 1132602207 XEBJNENNCTUGDM-ZDUSSCGKSA-N 324.425 -0.521 30 20 DBED C[C@@H](C[C@@H](C)NCC(=O)NCC#N)NC(=O)CCn1cncn1 1133759317 ROKCJUGWDGEDKQ-NEPJUHHUSA-N 321.385 -0.819 30 20 DBED C[C@@H](C(=O)NCCNCC(=O)NCC#N)N1CCCCCC1 1134749890 FKNCKMIDVXUHRB-ZDUSSCGKSA-N 309.414 -0.404 30 20 DBED C#CCOCCC(=O)N1CC2(CCN([C@@H]3CCN(C)C3=O)C2)C1 1147534930 REEBXCJEKJRZGE-CQSZACIVSA-N 319.405 -0.209 30 20 DBED COCC#CCN1CCCO[C@H](CNC(=O)Cn2cccn2)C1 1149159968 OAYOZDVZBIWZDF-OAHLLOKOSA-N 320.393 -0.260 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(Cc2cn(C)nn2)CCCO1 1149384479 UVWNFMBNFKQMNP-AWEZNQCLSA-N 323.397 -0.275 30 20 DBED Cn1cnnc1CN1CCCO[C@@H](CNC(=O)C#CC2CC2)C1 1149695123 YQRHHWFIZBBCGL-AWEZNQCLSA-N 317.393 -0.064 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)[C@@]2(C)CCC(=O)NC2)C1 1150159955 SVBCWUWLXYDJHO-BBRMVZONSA-N 307.394 -0.257 30 20 DBED C=CCNC(=O)NC(=O)CNCCCNC(=O)C1=COCCC1 1155602200 ITZPBGQBMBEUGW-UHFFFAOYSA-N 324.381 -0.212 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@@H]1CCCc2nccn21 1159923811 IHHQFPBTQICZAI-ZDUSSCGKSA-N 317.393 -0.394 30 20 DBED N#CCNC(=O)CNCCCNC(=O)c1ncc(F)cc1F 1161077496 LNMVETMJXGSXHQ-UHFFFAOYSA-N 311.292 -0.291 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)[C@]2(C)CNC(=O)C2)C1=O 1163080620 KYAKRMOYIYGHGB-WBMJQRKESA-N 322.409 -0.605 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)CC1CCN(C)CC1 1167666755 BCNKIFNPYHKLHC-CQSZACIVSA-N 322.453 -0.048 30 20 DBED C#CCCNCCCC[C@H](C)NC(=O)CNC(=O)CNC(C)=O 1171562583 JSZUHUYAEIEIGX-ZDUSSCGKSA-N 324.425 -0.473 30 20 DBED CCOc1cccnc1C(=O)NCCCNCC(=O)NCC#N 1177619346 SZODOIOZMKOIEP-UHFFFAOYSA-N 319.365 -0.170 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](N[C@H](C)c2nc(C)no2)C1 1182145580 QVUMAQYHEWCYGX-ZYHUDNBSSA-N 319.365 -0.231 30 20 DBED C#CCNC[C@H]1CCN(C(=O)CN(C)C(=O)COC)C[C@@H]1C 1184535421 TYWDKSJGJXJODV-UONOGXRCSA-N 309.410 -0.201 30 20 DBED C=CCNCc1cn([C@@H]2CCCN(C(=O)CC(N)=O)C2)nn1 1185900300 UYHXXQMRDGESRZ-GFCCVEGCSA-N 306.370 -0.407 30 20 DBED C=C(C)CCN[C@@H]1CCN(C(=O)[C@@H](CCC(N)=O)NC(C)=O)C1 1186376785 HOSNXAXBHZNACT-ZIAGYGMSSA-N 324.425 -0.087 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)[C@H](C)n2cncn2)C1 1189695523 JUFYJJPOXCUNNC-STQMWFEESA-N 318.381 -0.879 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)CCc2cn[nH]c2)C1 1192759108 ONMRGLKYTRBLJT-AWEZNQCLSA-N 317.393 -0.376 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(CCNC(=O)C2CC2)C[C@H]1O 1192761943 RKTMTXCRGNZZCK-ZIAGYGMSSA-N 307.394 -0.667 30 20 DBED C[C@H](NC(=O)c1cccs1)C(=O)N[C@@H]1CN(CC#N)C[C@H]1O 1195128819 NSYLTKHSRJAXOR-HBNTYKKESA-N 322.390 -0.449 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)CNC(=O)C2CC2)CC1 1199471391 VEGXTYPUDSUNSX-UHFFFAOYSA-N 322.409 -0.605 30 20 DBED N#CCNC(=O)CNCC1CCN(C(=O)c2cnccn2)CC1 1204318587 YJFWDEYJEMFMLH-UHFFFAOYSA-N 316.365 -0.442 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)c2conc2C)C1 1209374524 NBYYXAKJNPPTED-LBPRGKRZSA-N 304.350 -0.073 30 20 DBED CC#CCN[C@@H]1CCCN(C(=O)[C@@H](C)NS(C)(=O)=O)C1 1209828878 RVNNKVVJSOCILI-VXGBXAGGSA-N 301.412 -0.472 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)C[C@@H]2CCN(C)C2)[C@H](C)C1 1210276884 MZGXZCQNLJJPHU-QLFBSQMISA-N 320.437 -0.486 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCCN(C(=O)Cc2ncc[nH]2)C1 1210327340 HTBKQAZOWCQLDF-QWHCGFSZSA-N 317.393 -0.329 30 20 DBED CO[C@@H]1CN(Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)[C@H](C)C#N 1212039904 XJVUMCWUWXAFFO-MRVWCRGKSA-N 318.377 -0.140 30 20 DBED CC(C)(C)CC(=O)N1CCO[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1217291996 ZDJCQNBYSUESRT-QWHCGFSZSA-N 322.409 -0.026 30 20 DBED C=CCCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CCNC(N)=O 1219026972 WZVDFOOPAICSJZ-QWHCGFSZSA-N 310.398 -0.077 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)C2CC(F)(F)C2)C1 1219438185 LXWJJYZSSKAXIG-NEPJUHHUSA-N 302.321 -0.157 30 20 DBED C#CCC1(C(=O)N[C@@H]2CN(C[C@@H](O)COC)C[C@@H]2O)CCC1 1219785022 AMXLALNIFXYUEP-MCIONIFRSA-N 310.394 -0.651 30 20 DBED CC(C)(C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@@H]1O)C1CC1 1220199334 MLIICDHKPRNRKY-NEPJUHHUSA-N 308.382 -0.776 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@H](C)CC(C)(C)C)C1 1220490450 FWEPPCCNSFUSMN-MCIONIFRSA-N 323.437 -0.031 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)CCNC(=O)[C@@H]2CCCO2)C1 1221173929 FIYBUMPHMSPPCM-AGIUHOORSA-N 311.382 -0.981 30 20 DBED Cn1nnc(CN2CC[C@@H]3CN(C(=O)CSCC#N)[C@@H]3C2)n1 1221289658 WTQQKNFILCIDOU-GHMZBOCLSA-N 321.410 -0.500 30 20 DBED C=C(C)CN1CCC(CNC(=O)CN2C(=O)CNC2=O)CC1 1225372199 KWLCRZSUAYAMTE-UHFFFAOYSA-N 308.382 -0.058 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCCC[C@H]1NC(=O)c1cnon1 1229239071 WESVOXDFFZGJHK-QJPTWQEYSA-N 319.365 -0.162 30 20 DBED COCC#CCN1CC[C@@H]1CN(C)C(=O)C[C@H](C)NC(N)=O 1234277297 YSBMGGPTZJBNDG-QWHCGFSZSA-N 310.398 -0.384 30 20 DBED CC(C)n1cc(NC(=O)C(=O)NCCn2cnc(C#N)n2)cn1 1261544846 HEGLKWZVSXRDQF-UHFFFAOYSA-N 316.325 -0.318 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)NCCc1ccoc1 1261713494 OXJZUIVAERCHKX-UHFFFAOYSA-N 314.363 -0.345 30 20 DBED CNC(=O)c1ccc(C(=O)[C@@H](C#N)C(=O)NCCOC)cn1 1263289615 LCQIWUQCTAMEHE-SNVBAGLBSA-N 304.306 -0.474 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N1CCC(OCC(N)=O)CC1 1318994618 XOFTUMFABHQDFG-SNVBAGLBSA-N 312.370 -0.647 30 20 DBED Cn1c(=O)c2cc(C(=O)N(CC#N)CC#N)cnc2n(C)c1=O 1321082213 UEUYSZIWXBNKRE-UHFFFAOYSA-N 312.289 -0.878 30 20 DBED C=CC[C@H](NC(=O)CN1CCCS1(=O)=O)C(=O)OCC 1323830381 DRNDXNOQXBRGPA-JTQLQIEISA-N 304.368 -0.354 30 20 DBED Cc1cc(CN)cc(NC(=O)C(=O)NCC(=O)NCC#N)c1 1325855806 KGNCURVZLYTDJF-UHFFFAOYSA-N 303.322 -0.852 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)C(=O)NCCc2ccccn2)C1 1326091411 CPPDQSJHZYTJTN-OAHLLOKOSA-N 302.334 -0.383 30 20 DBED CC(=O)N1CCN(C(=O)CCNC(=O)CSCC#N)CC1 1326932102 CGQLBSHLUSDEPL-UHFFFAOYSA-N 312.395 -0.560 30 20 DBED CS(=O)(=O)CCCNC(=O)C(=O)N1CCC[C@H](CC#N)C1 1327906007 VCILMRUVEBYDNT-LLVKDONJSA-N 315.395 -0.310 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N1C[C@@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1 1329795683 ZHAHZTQANWFQBO-BYNSBNAKSA-N 318.373 -0.104 30 20 DBED C#CCOCCNC(=O)C(=O)N1C[C@H](C)[C@@](C)(C(=O)OC)C1 1330180853 YSLZTBIOSBSQLY-NHYWBVRUSA-N 310.350 -0.590 30 20 DBED C=CCn1cc(Cn2nnnc2N2CC(=O)N(C3CC3)C2)nn1 1335124249 PHOIRNYVWWNXPK-UHFFFAOYSA-N 315.341 -0.733 30 20 DBED CCN(C(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1)[C@@H]1CCNC1 1337601462 IAEZHPVDOVUBSX-ZIAGYGMSSA-N 319.409 -0.604 30 20 DBED C=C(C)COCCNC(=O)C(=O)N1CCO[C@H](COC)C1 1343168589 IGDQRGNNCRHEFE-LBPRGKRZSA-N 300.355 -0.431 30 20 DBED C=C(Cl)CNC[C@@H](O)CNC(=O)[C@H]1CCCC(=O)N1C 1367617259 KTFONPYYTQVMLN-GHMZBOCLSA-N 303.790 -0.184 30 20 DBED COCCn1ccc(C(=O)N[C@H](C)CNC(=O)[C@@H](C)C#N)n1 1373060877 FIQPURCVYNYEBH-WDEREUQCSA-N 307.354 -0.076 30 20 DBED COCC(=O)NCCC(=O)NC[C@@H]1CCN1C(=O)[C@H](C)C#N 1378381942 WHEURIMFFMUCTN-MNOVXSKESA-N 310.354 -0.984 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CN(C)C(=O)c1csc(O)n1 1383064632 PCRYHBMRLQCYBX-YUMQZZPRSA-N 312.351 -0.443 30 20 DBED C[C@H](CNC(=O)COCc1nncn1C)NC(=O)[C@H](C)C#N 1389268076 VLFSKLMEWYOIPY-NXEZZACHSA-N 308.342 -0.888 30 20 DBED C[C@H](C#N)C(=O)N[C@H](CNC(=O)CS(C)(=O)=O)C1CC1 1396978148 QMVLTJHUZHLQEQ-PSASIEDQSA-N 301.368 -0.798 30 20 DBED C[C@@H](C#N)C(=O)NCC1CN(C(=O)[C@H]2CCN(C)C(=O)C2)C1 1398817574 XHLVMZKCOGWPOR-JQWIXIFHSA-N 306.366 -0.411 30 20 DBED N#Cc1ccc(CN2CC(CNC(=O)Cn3ncnn3)C2)s1 1404877421 YERXLMVOOGBOPR-UHFFFAOYSA-N 317.378 -0.146 30 20 DBED CC(=O)N[C@@H](C)C(=O)N1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 1414489790 JHLSZPRIDCGOMF-JTQLQIEISA-N 317.349 -0.305 30 20 DBED Cc1c(CNC(=O)CCn2cc(C#N)c(O)nc2=O)cnn1C 1417701780 XUFCBFQYUWUUOP-UHFFFAOYSA-N 316.321 -0.431 30 20 DBED N#Cc1ccc(N2C[C@@H](C(=O)NC[C@@H](O)CO)CC2=O)cc1 1434400590 FENSRCAXLKZXJF-WCQYABFASA-N 303.318 -0.619 30 20 DBED CCN(CCNC(=O)[C@H](C)C#N)C(=O)Cn1ccc(O)nc1=O 1455660475 WENQHVFKMWJVRN-SNVBAGLBSA-N 321.337 -0.927 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CN(C)C(=O)C12CCCN1CCC2 1511579968 QQBNFCVPBJOJHC-CHWSQXEVSA-N 322.409 -0.290 30 20 DBED C#CCCN(CCOC)c1nnc(C(N)=O)n1C[C@H]1CCOC1 1515897650 PUYUZOYCQVDREH-GFCCVEGCSA-N 321.381 -0.110 30 20 DBED C=CCO[C@H](C)C(=O)N1CC[C@](C)(NC(=O)CNC(=O)O)C1 1573368462 MEDKQFYCEZBRRA-YGRLFVJLSA-N 313.354 -0.048 30 20 DBED N#Cc1csc(CNS(=O)(=O)C[C@@H]2CNCCO2)n1 1574248086 BXNBNRXPSCWTBT-VIFPVBQESA-N 302.381 -0.577 30 20 DBED C[C@@H](CN(C)c1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@H](C)C#N 1574801547 MJFPZRNHTQUWOH-BDAKNGLRSA-N 315.341 -0.243 30 20 DBED C[C@H]1CN(c2cnc(C#N)c(-c3nn[nH]n3)n2)C[C@@H](C)[C@@H]1O 1576366769 UXRDHTSIEBYLBX-JDICNCQASA-N 300.326 -0.019 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)CCCc2cnn[nH]2)C1 1576952278 GAFDUAYHMSKBGH-CQSZACIVSA-N 305.382 -0.032 30 20 DBED CCC[C@@H]1C(=O)NCCN1c1cnc(-c2nn[nH]n2)c(C#N)n1 1577388506 NQHSVHMCWFXARN-SECBINFHSA-N 313.325 -0.367 30 20 DBED Cn1nccc1[C@@H]1CN(C(=O)N[C@@H]2CNC[C@H]2C#N)CCO1 1580011737 YPIJVPSSBYBSPT-WZRBSPASSA-N 304.354 -0.385 30 20 DBED C=CCNCc1cn(C2CN(C(=O)[C@@H]3C[C@@H]3C(=O)O)C2)nn1 1588847886 QIBHEQHKWJVRCY-NEPJUHHUSA-N 305.338 -0.342 30 20 DBED O=C(N[C@@H]1CCN(O)C1=O)c1c(F)cc(-c2nn[nH]n2)cc1F 1592988615 OIYIPUHGIVLCLX-MRVPVSSYSA-N 324.247 -0.135 30 20 DBED C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)N1CCC(C#N)(C(=O)O)CC1 1593426964 UUOYNKWRRYEHTR-MWLCHTKSSA-N 323.349 -0.521 30 20 DBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)NC[C@H](F)C(=O)O 1598484717 DQNQHFUVVZBIEJ-QMMMGPOBSA-N 312.305 -0.140 30 20 DBED C#CCN(CC(=O)O)c1nnnn1C[C@H]1CCCN(C(C)=O)C1 1602700926 OJWOITODMLJIJL-LBPRGKRZSA-N 320.353 -0.544 30 20 DBED C#CCOCCNC(=O)N1CCC[C@@H](n2cc(C(=O)O)nn2)C1 1602727635 CEFYXFZGJZYDBR-LLVKDONJSA-N 321.337 -0.027 30 20 DBED C=CCOC[C@H](NC(=O)c1ccc2c(c1)B(O)OC2)C(=O)O 1602912979 FPPDXNPQXWDTMT-LBPRGKRZSA-N 305.095 -0.710 30 20 DBED C[C@@H](CN1CCCC1=O)Nc1cnc(-c2nn[nH]n2)c(C#N)n1 1603518247 SRQGFYMSTYBLTR-QMMMGPOBSA-N 313.325 -0.049 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)N[C@H]2CCCS(=O)(=O)C2)C1 1645862178 WAFFMJMKHHCPMX-CMPLNLGQSA-N 301.368 -0.376 30 20 DBED C=CCCN1CC[C@@H](NC(=O)CCn2cc[nH]c(=O)c2=O)C1 1665579245 KPTNJJXGBLNXSU-GFCCVEGCSA-N 306.366 -0.307 30 20 DBED C#Cc1cncc(C(=O)N2CC[C@H](NCCOCCO)C2)c1 1690676451 AMECZXYMMZQPFY-HNNXBMFYSA-N 303.362 -0.124 30 20 DBED C#CCNC(=O)[C@@H](C)N(CCNC(=O)Cc1ncc[nH]1)C1CC1 1753161265 CKXSVPFFADQGOM-GFCCVEGCSA-N 317.393 -0.329 30 20 DBED C#CCCN1CCN(CCN(C)C(=O)c2cnc(O)n2C)CC1 1753342296 OMRJYENLZRVEKL-UHFFFAOYSA-N 319.409 -0.161 30 20 DBED Cc1nccc(CCC(=O)NC2CN(CC(=O)NCC#N)C2)n1 1753382592 SSGISUYADRCXLB-UHFFFAOYSA-N 316.365 -0.842 30 20 DBED COCC#CCN1CC(CNC(=O)c2ccn(C)c(=O)c2)C1 1753405704 RVWGTZNCHSZHEA-UHFFFAOYSA-N 303.362 -0.303 30 20 DBED COCC#CCN1CCO[C@H](CNC(=O)Cc2nnc(C)o2)C1 1753650800 ZYQLVZISUNXMOG-CYBMUJFWSA-N 322.365 -0.613 30 20 DBED COCC#CCN1CCO[C@H](CNC(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1753652467 IZJPKDFNTPTXQD-KBXIAJHMSA-N 308.378 -0.654 30 20 DBED COCC#CCNC[C@H]1[C@H](C)CCCN1C(=O)CCNC(N)=O 1753813791 MMYRJEUDIYXLBS-KGLIPLIRSA-N 324.425 -0.089 30 20 DBED CCNC(=O)CC(=O)NC[C@H](O)CNCc1ccc(C#N)cc1 1753909689 XNRLPXURLRAMQR-CQSZACIVSA-N 318.377 -0.349 30 20 DBED C=CCNC(=O)NC(=O)CNCC[C@@H](C)NC(=O)C#CC1CC1 1753964269 BVRFSWUXLDTOCI-GFCCVEGCSA-N 320.393 -0.104 30 20 DBED C#CCNC(=O)[C@H](C)NC/C=C\CNC(=O)C1=COCCO1 1754093352 VSWCWYLLSQOAFF-RXNFCKPNSA-N 307.350 -0.726 30 20 DBED COCC1(C(=O)N2CC[C@H]([C@@H](C)NCC(=O)NCC#N)C2)CC1 1754801351 OLGHMRVYOFTMCG-OLZOCXBDSA-N 322.409 -0.121 30 20 DBED CC(C)(C)C#CC(=O)N(CCO)CCNCC(=O)N1CCC1 1754881850 MPMURJNERAHJOG-UHFFFAOYSA-N 309.410 -0.321 30 20 DBED COCC#CCN1CCN([C@@H]2CCN(C(=O)CCOC)C2)CC1 1755018063 TUTOUWCUVYASLE-MRXNPFEDSA-N 323.437 -0.109 30 20 DBED COc1nccc(C(=O)NC2(CNCC#N)CCOCC2)n1 1755096838 LGYKMFRCYMZZCG-UHFFFAOYSA-N 305.338 -0.123 30 20 DBED C#CCNC(=O)CN[C@H](C)[C@H](C)NC(=O)CCc1cn[nH]c1 1755258539 ZVZXZXZEONAVLT-NEPJUHHUSA-N 305.382 -0.426 30 20 DBED C=CCCN1CCO[C@@]2(CCN(C(=O)[C@H](C)NC(N)=O)C2)C1 1755401878 WHJMIEQUGCFWQJ-WFASDCNBSA-N 310.398 -0.077 30 20 DBED CC#CCN[C@@H]1C[C@@H](C)N(C(=O)CN(C)S(=O)(=O)CC)C1 1755688680 DVYJFMNSULIZHD-CHWSQXEVSA-N 315.439 -0.130 30 20 DBED CN(C[C@@H](O)CNCC#N)C(=O)C[C@H]1NC(=O)c2ccccc21 1755792232 QVAPCZTVJDDAHS-SMDDNHRTSA-N 316.361 -0.206 30 20 DBED C=C[C@](C)(O)CC(=O)NC1CC(N(C)C(=O)Cn2cnnn2)C1 1756733963 JSMFSFJUYQFIGC-MGULZYLOSA-N 322.369 -0.894 30 20 DBED CO[C@@H]1CN(C(=O)[C@@H](C)NC(C)=O)C[C@H]1NC(=O)C#CC1CC1 1757127718 MZKSUHNJCQDOJO-LERXQTSPSA-N 321.377 -0.734 30 20 DBED C[C@H](NC=O)C(=O)N1CCCC12CN(C(=O)C#CC1CC1)C2 1845176475 AJNNYUSUQAAXND-LBPRGKRZSA-N 303.362 -0.262 30 20 DBED COCC1(C(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)CC1 1846194647 BCSDBNBLIXNBHW-UHFFFAOYSA-N 320.345 -0.296 30 20 DBED C#CCN1CCN(C(=O)CSc2nnc(CC)n2N)CC1 121462378 AXCXFGUXNYWZOY-UHFFFAOYSA-N 308.411 -0.576 30 20 DBED N#Cc1ccc(S(=O)(=O)N2CCN(CCCO)CC2)cn1 186238225 RVGXLJQRGOTARL-UHFFFAOYSA-N 310.379 -0.358 30 20 DBED N#Cc1ccc(Cl)c(S(=O)(=O)N2C[C@H](O)[C@@H](O)C2)c1 236598247 RISHHEVEKCZPCN-UWVGGRQHSA-N 302.739 -0.062 30 20 DBED C/N=C(/NCc1nnc(C)n1C)N1CCN(C(=O)C(C)C)CC1 261994901 SEWMJXUXMBLJRU-UHFFFAOYSA-N 321.429 -0.001 30 20 DBED C=C(C)C/N=C(/NCC(=O)N(C)C)N1CCN2C(=O)CC[C@H]2C1 262328705 UNSUETCKKUTZTC-ZDUSSCGKSA-N 321.425 -0.097 30 20 DBED N#CCc1ccc(C(=O)N2CCN(S(N)(=O)=O)CC2)cc1 270289022 KWXSCHORTQVZMJ-UHFFFAOYSA-N 308.363 -0.286 30 20 DBED C[C@@H](O)C(=O)N1CCN(c2nccc(C#N)c2[N+](=O)[O-])CC1 270752896 AZCHHEOXIGZVIB-SECBINFHSA-N 305.294 -0.109 30 20 DBED N#Cc1cc(F)c(S(=O)(=O)N[C@@H](CCO)C(=O)O)c(F)c1 275007200 BIVDUESEHZCOJO-VIFPVBQESA-N 320.273 -0.050 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(CCO)CC(F)F)C1=O 279857101 UNHCASFAWQLRFO-UHFFFAOYSA-N 319.264 -0.951 30 20 DBED CO/N=C/C(=O)NCCCN1CCN(c2ncccn2)CC1 282835508 ARXJRZTYRUFBCO-LDADJPATSA-N 306.370 -0.263 30 20 DBED N#Cc1cncc(S(=O)(=O)NCCC(=O)N2CCOCC2)c1 289735927 JGZZHAUMHIHIFG-UHFFFAOYSA-N 324.362 -0.520 30 20 DBED C#CCNC(=O)CCN1CC[C@H](C(=O)OC)C[C@@H]1C(=O)OC 294651974 QQIKJXUAFYBVKM-NWDGAFQWSA-N 310.350 -0.448 30 20 DBED C#CCNS(=O)(=O)c1ccc(C(=O)NN2CCOCC2)cc1 298161485 SSZKLUOFGUYKLG-UHFFFAOYSA-N 323.374 -0.425 30 20 DBED CC(C)N1CC[C@H](/N=C(/O)N[C@@H](CO)c2cnn(C)c2)C1=O 330477860 WWILCQMJZYANBS-RYUDHWBXSA-N 309.370 -0.034 30 20 DBED C=CC/N=C(/O)NC(=O)CN1CCN(S(C)(=O)=O)[C@@H](C)C1 330675199 IXWPZHPUFAVUBH-JTQLQIEISA-N 318.399 -0.832 30 20 DBED CC/N=C(/O)NC(=O)[C@H](C)N1CCN(C(=O)CN(C)C)CC1 331252662 URJGGEYJXWUWCQ-NSHDSACASA-N 313.402 -0.869 30 20 DBED COc1cnc(N/C(O)=N/CCNS(=O)(=O)N(C)C)s1 331347029 WJMYBTFVUHFKTF-UHFFFAOYSA-N 323.400 -0.126 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N[C@@H](CO)CC(F)(F)F)CCO1 336932652 CRYXKCOVTKRTEF-HTQZYQBOSA-N 317.289 -0.642 30 20 DBED Cc1nn(C)cc1[C@@H](C)NS(=O)(=O)N1CCO[C@@H](C#N)C1 337067764 LWMAWCVTCTVDSN-MNOVXSKESA-N 313.383 -0.152 30 20 DBED COCCn1cc(CNS(=O)(=O)N(C)CCC#N)cn1 337232400 JLWBTYRPSMTRJB-UHFFFAOYSA-N 301.372 -0.291 30 20 DBED C=CCOc1cccnc1C(=O)NCCN1C(=O)CNC1=O 341935863 SOSNKIFMVFECKH-UHFFFAOYSA-N 304.306 -0.072 30 20 DBED C=CCOCCCN[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 348049051 IJXCINKMCJCTLQ-ZIAGYGMSSA-N 318.439 -0.334 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCNC[C@@H]2CCC)C1=O 359218913 HLTGTIZPUDKWDU-NSHDSACASA-N 322.365 -0.436 30 20 DBED Cc1cccc(NC(=O)C(=O)NCCc2nc(N)no2)c1C#N 359381786 OSWOEXJZKOEFQS-UHFFFAOYSA-N 314.305 0.129 30 20 DBED N#CCC1(O)CN(C(=O)CN2C(=O)NC3(CCCC3)C2=O)C1 373837749 UEUZSKPFNVTNED-UHFFFAOYSA-N 306.322 -0.662 30 20 DBED C[C@H]1CN(C(=O)C(=O)NCCOc2ccc(C#N)cc2)C[C@H]1N 419458151 BEJZVMNAMSVNAZ-SMDDNHRTSA-N 316.361 -0.141 30 20 DBED COc1ccnc(CNS(=O)(=O)N2CCO[C@H](C#N)C2)n1 425184383 OTIKPBXJOYMBMI-SECBINFHSA-N 313.339 -0.956 30 20 DBED C=CCn1cc(CNC(=O)N2CCN(CCOC)CC2)nn1 425886904 ZULJLFGTIWXVJP-UHFFFAOYSA-N 308.386 -0.062 30 20 DBED COCCO[C@@H]1COCC[C@H]1NC(=O)N1CCO[C@@H](C#N)C1 487054069 DKECLIVBYYCALT-YNEHKIRRSA-N 313.354 -0.259 30 20 DBED C#CCN1CCN(C(=O)CN2CCN(C(=O)N(C)C)CC2)CC1 491637584 VZLDZCUHLFAREX-UHFFFAOYSA-N 321.425 -0.937 30 20 DBED C=CCNC(=O)C(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1 530845411 XGQJTMJWNDYAOY-UHFFFAOYSA-N 316.317 -0.021 30 20 DBED CNC(=O)[C@@H](C)NC(=O)C(=O)Nc1ccc(C#N)cc1OC 546708991 MUYZKBRQJZPMCC-MRVPVSSYSA-N 304.306 -0.244 30 20 DBED C[C@@H]1C[C@H](CO)CN(S(=O)(=O)N2CCO[C@@H](C#N)C2)C1 570060494 KSIGRNHRPYNLIY-WOPDTQHZSA-N 303.384 -0.594 30 20 DBED O=C1CCc2cc(OC[C@@H](O)CNCC#CCO)ccc2N1 581607937 CMCXZGXHCRBABF-ZDUSSCGKSA-N 304.346 -0.104 30 20 DBED CCN(C(=O)Cn1ccc(C#N)cc1=O)[C@H]1CCS(=O)(=O)C1 596319909 HTEFCRAPPQYTLG-LBPRGKRZSA-N 323.374 -0.244 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N1C[C@H](O)[C@@H](N(C)C)C1 601415191 BOGYAHURQVFFQC-SRVKXCTJSA-N 304.416 -0.681 30 20 DBED CO[C@@H]1CN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CCO1 602900131 SPOQIBYVGGMTPH-HOCLYGCPSA-N 324.425 -0.017 30 20 DBED CN(CCCNC(=O)N1CC[C@](F)(C#N)C1)S(C)(=O)=O 615539440 XARBZMGZQUDUQN-NSHDSACASA-N 306.363 -0.085 30 20 DBED C=CCCOCC(=O)N(C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 620191136 PLVWOWWSNVAOKU-LLVKDONJSA-N 318.395 -0.659 30 20 DBED C=CCN1CC[C@@H](N(C)S(=O)(=O)CCCN(C)C)C1=O 632301827 ODBXTORZCRXFGT-GFCCVEGCSA-N 303.428 -0.013 30 20 DBED C=C[C@@H]1OCC[C@H]1NC(=O)NCC(C)(C)NS(C)(=O)=O 652336686 WJCAHCDSAOYKPN-ZJUUUORDSA-N 305.400 -0.043 30 20 DBED C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@H]1CS(=O)(=O)C[C@@H]1OC 661276941 CUQAWYNSPABRPL-RHYQMDGZSA-N 318.395 -0.169 30 20 DBED CCCCCNC(=O)[C@@H](C#N)C(=O)c1cn(C)c(=O)n(C)c1=O 735209244 TUOYDCUKGUZHDK-JTQLQIEISA-N 320.349 -0.287 30 20 DBED COC(=O)[C@@H]1C[C@@H]1C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[nH]1 736906996 BHUOCILIWQSNQW-CRCLSJGQSA-N 302.254 -0.791 30 20 DBED C#CCN1CCN(C(=O)CN(C)[C@@H]2CCCCNC2=O)CC1 748812139 GWEXHNBYBDFJAY-CQSZACIVSA-N 306.410 -0.636 30 20 DBED COC(=O)c1cn([C@H]2CCCN(CC(=O)NCCC#N)C2)nn1 762625016 SFLUGZTUURAQDC-NSHDSACASA-N 320.353 -0.269 30 20 DBED C=CCNC(=O)CNS(=O)(=O)c1n[nH]c(C)c1C(=O)OC 776884745 NOQGPJGBQZTEQB-UHFFFAOYSA-N 316.339 -0.915 30 20 DBED C=CCS(=O)(=O)CCNC(=O)c1cncc(-n2ccnn2)c1 801689795 OOXGDQPJBQHCAA-UHFFFAOYSA-N 321.362 -0.007 30 20 DBED CN(CCCN)C(=O)C(=O)NCCNc1ncccc1C#N 851684232 COLQPKGLIGJCSC-UHFFFAOYSA-N 304.354 -0.711 30 20 DBED C#CCO[C@@H](C)C(=O)NC1(CNC(=O)[C@@H](C)OCC#C)COC1 870201236 LMMLLYDLDZZEAT-OLZOCXBDSA-N 322.361 -0.936 30 20 DBED C#CCNC(=O)C1CCN(C(=O)Nc2cc(=O)n(C)cn2)CC1 888503128 XTIYKCMKDAKKDU-UHFFFAOYSA-N 317.349 -0.226 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@H]3CC[C@H]2[C@@H](O)C3)C1=O 899769133 VVQVEGFRSCRIEU-DCAQKATOSA-N 321.333 -0.665 30 20 DBED C#CC1(O)CN(S(=O)(=O)c2ccc3c(c2)sc(=O)n3C)C1 908229268 BROCRKYNCUOQOG-UHFFFAOYSA-N 324.383 -0.031 30 20 DBED C#CC1(O)CN(S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)C1 908232804 XHEREXMWWOLMAB-UHFFFAOYSA-N 306.343 -0.659 30 20 DBED C#CC1(O)CN(C[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)C1 934449585 FFEQORCXQIJNIB-CYBMUJFWSA-N 316.357 -0.009 30 20 DBED C#CC1(O)CN(CC(=O)Nc2cc(-n3cnnn3)ccc2F)C1 934450377 ZXGZFDVKLMYEPI-UHFFFAOYSA-N 316.296 -0.580 30 20 DBED C#Cc1cncc(C(=O)N2CC[C@@H](N(C)C(=O)C(N)=O)C2)c1 939564963 LFKDBQXLEZKTTB-GFCCVEGCSA-N 300.318 -0.779 30 20 DBED C#Cc1ccccc1CC(=O)N1CCCN(C(=O)C(N)=O)CC1 941796378 RQZDLUSTIZNPOZ-UHFFFAOYSA-N 313.357 -0.243 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCCCN(C(=O)C(N)=O)C1 943338520 YXTSTSBYMUJBAB-OLZOCXBDSA-N 320.393 -0.933 30 20 DBED Cc1nc(CC(=O)NC2CCN(C(=O)[C@@H](C)C#N)CC2)n[nH]1 948099834 ZWOXIAFCRQPTEH-VIFPVBQESA-N 304.354 -0.078 30 20 DBED C#CCN1CCOC2(CCN(C(=O)[C@H]3CN(C)C(=O)N3)CC2)C1 949433193 HZOCKTNBGGJANH-CYBMUJFWSA-N 320.393 -0.663 30 20 DBED N#Cc1cc(C(=O)NC[C@@H]2CCN2C(=O)[C@@H]2COC(=O)N2)c[nH]1 949490428 AGAOIOJQFTYSAP-QWRGUYRKSA-N 317.305 -0.675 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]1CNC(=O)c1cccc(=O)n1C 952018741 NHWRJYFVPVVSDQ-QWRGUYRKSA-N 302.334 -0.124 30 20 DBED C=CCOc1cccnc1C(=O)NC[C@H]1CCN1C(=O)C(N)=O 952192376 BQFVTUVPTGWDFF-SNVBAGLBSA-N 318.333 -0.538 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C(=O)C(N)=O)c1 952589328 PWHPBWSIZMWNAA-MNOVXSKESA-N 315.333 -0.423 30 20 DBED Cc1cc(=O)c(C(=O)NC[C@@H]2CN(CC#N)C[C@@H]2O)cn1C 958151570 KAROXSOOCAIVGV-RISCZKNCSA-N 304.350 -0.760 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](NC(=O)C2CS(=O)(=O)C2)[C@H](C)C1 958372333 LENFNUPEAURJEW-FXPVBKGRSA-N 313.379 -0.846 30 20 DBED N#CCN1C[C@H](O)[C@H](CNC(=O)c2cc(C(N)=O)cs2)C1 958728241 MOGBKKRNZPDVQT-ZJUUUORDSA-N 308.363 -0.607 30 20 DBED C#CCN1C[C@H]2[C@H](NC(=O)c3ccc(=O)n(CCOC)c3)[C@H]2C1 960768232 PMNAQEVLWMHZEO-FOLVSLTJSA-N 315.373 -0.212 30 20 DBED C#Cc1cncc(C(=O)NC2[C@H]3CN(CC(=O)N(C)C)C[C@H]23)c1 961711810 JPIZSRNHRXSAFK-KBPBESRZSA-N 312.373 -0.189 30 20 DBED C#CCCN1C[C@H]2[C@H](NC(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)[C@H]2C1 961742399 HJQFPVFTKLCGTL-SEBNEYGDSA-N 319.405 -0.308 30 20 DBED C=C(C)CCN1C[C@H]2[C@H](NC(=O)CN3C(=O)CN(C)C3=O)[C@H]2C1 962484042 NFOLSQCSFBFJTH-JYAVWHMHSA-N 320.393 -0.107 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@H](NC(=O)c2cn(C)nn2)C1 962692674 GYEBYUPVVGMFSD-KOLCDFICSA-N 307.354 -0.671 30 20 DBED Cc1c[nH]nc1C(=O)NC[C@H]1COCCN1C(=O)[C@H](C)C#N 964198451 YFCJTZYVJZVJMS-KOLCDFICSA-N 305.338 -0.165 30 20 DBED O=C(C#CC1CC1)N1CCOC2(C1)CN(C(=O)[C@H]1CCOC1)C2 965374366 LXGZSFFTFARSGV-AWEZNQCLSA-N 318.373 -0.124 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CN(C(=O)c3ccn(C)n3)CCO2)C1 965384933 DKHSYZJDACUKOP-NSHDSACASA-N 317.349 -0.367 30 20 DBED C[C@H](C#N)C(=O)N1CC2(C[C@@H](NC(=O)c3cc[nH]n3)CO2)C1 965633709 AMFFPBGAZKKSNV-NXEZZACHSA-N 303.322 -0.331 30 20 DBED C[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)CN1CCOCC1 966402518 SVACNPNGEHWRIL-DZGCQCFKSA-N 319.405 -0.305 30 20 DBED O=C1NCC[C@@H]1C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC1CC1 968993180 LNTWOEJXIVGXCT-MJBXVCDLSA-N 315.373 -0.262 30 20 DBED C[C@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1O 969761173 ZMQFKVOGWHSPNP-ZDAZMGEQSA-N 302.334 -0.156 30 20 DBED Cn1[nH]c(CN2C[C@H]3CC[C@H]2CN3C(=O)C#CC2CC2)nc1=O 971367484 INKJKFPQXOBOPQ-QWHCGFSZSA-N 315.377 -0.303 30 20 DBED CC#CCN1C[C@H]2CC[C@H]1CN2C(=O)CC[C@@H]1NC(=O)NC1=O 972090878 BXPFJPZVIDDGCY-XQQFMLRXSA-N 318.377 -0.327 30 20 DBED N#CCN1CCO[C@@]2(CCN(C(=O)c3ccc(C(N)=O)o3)C2)C1 972459015 PZKCBUNCULUFPU-HNNXBMFYSA-N 318.333 -0.181 30 20 DBED C#CCN(C)[C@@H]1CCN(C(=O)c2nc(O)nc(O)c2OC)C1 972719820 AWCHKSKUDWRHBG-SECBINFHSA-N 306.322 -0.324 30 20 DBED CC(=O)N1CC(C(=O)N(C)C[C@@H]2CCN2C(=O)[C@H](C)C#N)C1 977652500 YLMOFGGMVNMICA-MFKMUULPSA-N 306.366 -0.316 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)[C@H]2CNC(=O)N2)C1 983077669 AXOCFBTVCYWBKO-WDEREUQCSA-N 308.382 -0.155 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C(N)=O)[C@@H]1CC 985514566 HMMZLHPENPTAQX-KXNHARMFSA-N 309.366 -0.442 30 20 DBED C=CCN(C)C1CCN(C(=O)Cn2nc(C)n(C)c2=O)CC1 985773966 QDSCCESEMAOOKZ-UHFFFAOYSA-N 307.398 -0.001 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H]1CCN(C(=O)CC(N)=O)C1 987845225 CXADIDOZSNUXOV-UPJWGTAASA-N 323.393 -0.240 30 20 DBED O=C1CC[C@H](CC(=O)NC2CN(C(=O)C#CC3CC3)C2)CN1 993379144 FKTIIJCLRNMUGC-GFCCVEGCSA-N 303.362 -0.357 30 20 DBED CC#CCN1CCC[C@H](NC(=O)CN2CCNC(=O)C2)[C@H]1C 993695622 BDOOFKTXCYEYDM-KGLIPLIRSA-N 306.410 -0.589 30 20 DBED C=CC(C)(C)C(=O)N1CC(NC(=O)C[C@H]2CC(=O)NC2=O)C1 995293968 KIPLUMPEOLJUOR-VIFPVBQESA-N 307.350 -0.422 30 20 DBED C=CCn1cc(C(=O)N2CCC[C@H](N[C@@H]3CCNC3=O)C2)nn1 1000401417 CYHBMKNPNVQONY-NWDGAFQWSA-N 318.381 -0.453 30 20 DBED C#CCN[C@H]1CCCN(C(=O)Cn2nc3n(c2=O)CCCC3)C1 1000639641 WNHSXYXPUOUQDY-ZDUSSCGKSA-N 317.393 -0.405 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2C(CNC(=O)c3cn(C)c(O)n3)[C@@H]2C1 1009468471 QHKVGTOTMCZKOT-MIMYLULJSA-N 317.349 -0.280 30 20 DBED Cn1cc(C(=O)N2CCN(C(=O)C#CC3CC3)CC2)nc1O 1011109654 SRQPNKDVVQEXKQ-UHFFFAOYSA-N 302.334 -0.177 30 20 DBED N#Cc1c[nH]c(C(=O)NC2[C@H]3CN(C(=O)Cn4cccn4)C[C@H]23)c1 1012918179 HRWSTJSHNLPYLI-RYUDHWBXSA-N 324.344 -0.030 30 20 DBED C=C(Cl)CN1CC[C@H](NC(=O)CN2CC(=O)NC2=O)C1 1015864937 LTOIPEQPSVFSAY-VIFPVBQESA-N 300.746 -0.519 30 20 DBED N#Cc1cc(C(=O)N[C@H]2C[C@H](NCC(=O)N3CCC3)C2)c[nH]1 1020088843 ZXFROCLJMQVJEH-HAQNSBGRSA-N 301.350 -0.031 30 20 DBED C=C(Cl)CN[C@H]1C[C@H](NC(=O)Cn2c(O)nnc2O)C1 1020983195 ISIWXUGNUFMHCP-ZKCHVHJHSA-N 301.734 -0.321 30 20 DBED CS(=O)(=O)CC(=O)N1C[C@@H]2CCN(C(=O)C#CC3CC3)[C@@H]2C1 1021588332 RRMVDKWHCQIBES-QWHCGFSZSA-N 324.402 -0.496 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2O)c1 1025551849 RCGZLFGPLCLKRE-LERXQTSPSA-N 312.329 -0.476 30 20 DBED C#CCN1[C@H]2CC[C@H]1CN(C(=O)CN1C(=O)NC(C)(C)C1=O)C2 1029573582 VWJQAGJACKEPFE-RYUDHWBXSA-N 318.377 -0.375 30 20 DBED C=C(C)CN1CC(NC(=O)Cn2nc3ccccn3c2=O)C1 1030766420 WHUDRYNSGSBBBY-UHFFFAOYSA-N 301.350 -0.128 30 20 DBED C=C1CC(C)(C(=O)NC2CN(CC(=O)N3CCNC(=O)C3)C2)C1 1030916812 LWLORZKLCIAZRJ-UHFFFAOYSA-N 320.393 -0.899 30 20 DBED C#CCCN1CC[C@H](N(C)C(=O)[C@@H]2COCCN2C(C)=O)C1 1033677238 YRZYTKAQVBXNOU-GJZGRUSLSA-N 307.394 -0.210 30 20 DBED C#CCN1CC[C@H](N(CC)C(=O)[C@H]2CN(C(C)=O)CCO2)C1 1034029608 SOVAHLGYZLMYBM-LSDHHAIUSA-N 307.394 -0.210 30 20 DBED C=C(Cl)CN1CCO[C@@H](CNC(=O)[C@H]2CCNC2=O)C1 1035472525 DKQXXHBKMVGYPB-QWRGUYRKSA-N 301.774 -0.308 30 20 DBED C#CCCN1CC[C@@H]1CNC(=O)c1cc(=O)n2[nH]cnc2n1 1038919089 ALQDYNWDNDBAAB-SNVBAGLBSA-N 300.322 -0.755 30 20 DBED CC(C)C#CC(=O)NC[C@]1(O)CCN(C(=O)c2cnccn2)C1 1039663189 AZGUGUZNJPIJCE-MRXNPFEDSA-N 316.361 -0.171 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)c2ccc(O)nc2)C1 1040761521 UCCLHVCLTJYVDJ-BONVTDFDSA-N 318.333 -0.360 30 20 DBED C[C@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1040768935 GXHDZXUBMFHEOC-KLFGWDPYSA-N 307.350 -0.882 30 20 DBED N#Cc1cncc(N2C[C@@H](O)[C@H](NC(=O)c3csnn3)C2)n1 1041263291 NAOKXPSKIXQVAN-PSASIEDQSA-N 317.334 -0.821 30 20 DBED Cc1ncncc1C(=O)NCC1(O)CN(C(=O)[C@H](C)C#N)C1 1041679671 ZITZAIAMSFWCCC-SECBINFHSA-N 303.322 -0.752 30 20 DBED C=CCCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2ncc[nH]2)C1 1041874084 OMHDENGYHNEJEM-NSHDSACASA-N 322.365 -0.306 30 20 DBED O=C(NCC1(O)CN(C(=O)C#CC2CC2)C1)C1=COCCC1 1041977001 WQVMYOSCDMRWNF-UHFFFAOYSA-N 304.346 -0.216 30 20 DBED C=CCN1CC[C@H]2CCN(C(=O)CN3CC(=O)N(C)C3=O)C[C@@H]21 1042311061 DXMUZWGVJMJCFG-STQMWFEESA-N 320.393 -0.011 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2ccn(C)c2)C1 1042544753 XUEJPKHROMJAEM-LBPRGKRZSA-N 321.377 -0.081 30 20 DBED C#CCC1(C(=O)NCC2(O)CN(C(=O)CCOC)C2)CCC1 1043346687 ASQLALPMAZRGAL-UHFFFAOYSA-N 308.378 -0.094 30 20 DBED CCc1cnc(CC(=O)NCC2(O)CN(C(=O)[C@H](C)C#N)C2)[nH]1 1043656363 RGIIRWXLQOELPO-SNVBAGLBSA-N 319.365 -0.636 30 20 DBED C=CCCN1CC(N(C)C(=O)c2c[nH]nc2S(N)(=O)=O)C1 1043820283 NUJBUSFUMSWFGW-UHFFFAOYSA-N 313.383 -0.611 30 20 DBED C#Cc1ccc(C(=O)NCC2(O)CN(C(=O)[C@H](C)C#N)C2)nc1 1044254931 MDWVKRDQIOLBIA-LLVKDONJSA-N 312.329 -0.474 30 20 DBED C#Cc1ccc(C(=O)NCC2(O)CN(C(=O)C#CC3CC3)C2)nc1 1044255266 VINNFJMXJOENGR-UHFFFAOYSA-N 323.352 -0.221 30 20 DBED C=CCN1CC[C@@H](N2CC(N(C)C(=O)c3nonc3C)C2)C1=O 1044369317 JNICGSVEUUFIQL-GFCCVEGCSA-N 319.365 -0.079 30 20 DBED C=C[C@H](C)[C@H](C)C(=O)NCC1(O)CN(C(=O)C2(C(N)=O)CC2)C1 1044980610 ONNUEXGGADAMCD-QWRGUYRKSA-N 323.393 -0.600 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)C[C@@H](C)COC)C1 1045632311 TUNCBMOONJZICW-GFCCVEGCSA-N 314.382 -0.449 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)Cc2nonc2C)C1 1045644396 PCUUMRQOSVKZOV-UHFFFAOYSA-N 320.349 -0.586 30 20 DBED C#CCCN1CC[C@H](N2CCN(C(=O)[C@H]3CCC(=O)N3)CC2)C1 1046012501 OTWFXYHGBLZCQM-LSDHHAIUSA-N 318.421 -0.493 30 20 DBED N#Cc1ccc(N[C@H]2C[C@@H](CNC(=O)[C@H]3COC(=O)N3)C2)nn1 1046369733 MLRMVWSXQXIOHC-DVVUODLYSA-N 316.321 -0.237 30 20 DBED C=CCN1C[C@H]2C[C@@H](NC(=O)c3cn(CC(N)=O)nn3)C[C@H]1C2 1047208483 GQKLHDMEBWVSQU-QJPTWQEYSA-N 318.381 -0.468 30 20 DBED CN(C(=O)c1cn(C2CCC2)nn1)[C@H]1CN(CC#N)C[C@@H]1O 1047383780 PTWRCGLTHHMYFW-STQMWFEESA-N 304.354 -0.356 30 20 DBED C[C@H](NCc1nnn(C)n1)[C@@H]1CCN(C(=O)C#CC2CC2)C1 1047850588 ZRTXXONBRBBFMQ-WCQYABFASA-N 302.382 -0.050 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2nc(C)c[nH]2)C1 1048912340 GEQQOKOPUOJAJK-RYUDHWBXSA-N 322.365 -0.436 30 20 DBED C#CCC1(C(=O)N(C)[C@H]2CN(C(=O)COC)C[C@@H]2O)CCC1 1048953509 HDIYPQNJYCWLBA-STQMWFEESA-N 308.378 -0.144 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2[nH]cnc2C)C1 1049065883 OWTVEXZKORJNSD-RYUDHWBXSA-N 322.365 -0.436 30 20 DBED CN(C)CCn1cc(C(=O)N2C[C@@H]3CN(CC#N)C[C@@H]3C2)cn1 1049109563 USZUAJHUKBLPPI-GASCZTMLSA-N 316.409 -0.028 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)c1ccnc2c1CC(=O)N2 1051004758 OMPNFYAGCWBSFF-LLVKDONJSA-N 314.345 -0.360 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)[C@@H]1CCCCN(C)C1=O 1051208852 DEWNNGHPWUMURF-KBPBESRZSA-N 307.394 -0.305 30 20 DBED C=CCN1CCN([C@H]2CCN(C(=O)[C@H]3CNC(=O)N3)C2)CC1 1052074181 VZGYWXVXWFXBFC-QWHCGFSZSA-N 307.398 -0.928 30 20 DBED Cc1cc(=O)c(C(=O)N2CCOC3(CN(CC#N)C3)C2)cn1C 1053296439 MHQSENVEXTZOKU-UHFFFAOYSA-N 316.361 -0.256 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)C[C@H]3CCNC3=O)CO2)C1 1053827568 CPRWYROOSOZZCU-CHWSQXEVSA-N 305.378 -0.505 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@@H]2CN(C(=O)CCOC)C[C@@H]2C1 1055121437 YZSJWWHAPIIWOZ-MCIONIFRSA-N 308.378 -0.022 30 20 DBED N#Cc1ccc(N2CCN(C(=O)C[C@H]3COC(=O)C3)CC2)nn1 1055769225 IFTNUHAYUYISDM-LLVKDONJSA-N 315.333 -0.050 30 20 DBED Cn1ccc(C(=O)NC2[C@H]3CN(c4cnc(C#N)cn4)C[C@H]23)n1 1056225898 PJVPXJBSIUSWEJ-QWRGUYRKSA-N 309.333 -0.054 30 20 DBED N#Cc1cnc(N2C[C@H]3C(NC(=O)[C@@H]4CCC(=O)N4)[C@@H]3C2)cn1 1056265051 YYVYRRHHGLIZOF-MXWKQRLJSA-N 312.333 -0.822 30 20 DBED N#Cc1ccc(N2C[C@H]3C(NC(=O)[C@@H]4CCNC4=O)[C@@H]3C2)nn1 1056354974 CAPPQIGIURWGFH-GMTAPVOTSA-N 312.333 -0.965 30 20 DBED C=CCCOCC(=O)N1CCC[C@H]2CN(C(=O)CC(N)=O)C[C@H]21 1056680504 PISPXDBTVJGQOV-QWHCGFSZSA-N 323.393 -0.096 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCN(CCO)C(=O)CCOCC 1057182918 FUUUKSOTNNGMEJ-OAHLLOKOSA-N 316.398 -0.323 30 20 DBED Cn1nnc(C(=O)N2CCC(Nc3ccc(C#N)nn3)CC2)n1 1057405386 QYFHOWQURIRJOS-UHFFFAOYSA-N 313.325 -0.412 30 20 DBED C=CC(C)(C)C(=O)NCCN(CCO)C(=O)[C@H]1COC(=O)N1 1057477953 GWPQHSVTLQIPPG-SNVBAGLBSA-N 313.354 -0.756 30 20 DBED C#CCOCCC(=O)N(CCO)CCNC(=O)Cc1ccon1 1057580351 BXJWQQDLRGIJRP-UHFFFAOYSA-N 323.349 -0.806 30 20 DBED C#Cc1ccc(C(=O)N(CCO)CCNC(=O)[C@H](C)C#N)nc1 1058238836 TYMZRNXVNPZUIT-GFCCVEGCSA-N 314.345 -0.227 30 20 DBED N#Cc1nccc(N2CC[C@H](NC(=O)[C@@H]3CCNC(=O)C3)C2)n1 1058336105 NJDAIBJDJXZVBR-MNOVXSKESA-N 314.349 -0.431 30 20 DBED CC#CCCCC(=O)N(CCO)CCNC(=O)Cn1nccn1 1058442755 PTWABBAJAKOPPL-UHFFFAOYSA-N 321.381 -0.591 30 20 DBED CN1C(=O)CC[C@H]1C(=O)N[C@H]1CCN(c2ccnc(C#N)n2)C1 1058516242 HQXZSWZLQQSQGB-QWRGUYRKSA-N 314.349 -0.336 30 20 DBED C=CCCCC(=O)N(CCO)CCNC(=O)c1cnnn1C 1058621978 WROXIAYKYCXYCS-UHFFFAOYSA-N 309.370 -0.278 30 20 DBED O=C(C#CC1CC1)NCCN(CCO)C(=O)[C@H]1C[C@@]12CCOC2 1058827949 BBDWQRDRBFDOFI-RHSMWYFYSA-N 320.389 -0.237 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)CN1CC[C@H](C)C1 1058845136 GDGAUIHZEGGVNZ-HNNXBMFYSA-N 323.437 -0.075 30 20 DBED N#Cc1ccc(N[C@H]2CCN(C(=O)[C@H]3CNC(=O)N3)C2)nc1 1059049332 KSUNKIYNRUCZSC-WDEREUQCSA-N 300.322 -0.353 30 20 DBED N#Cc1nccnc1N[C@H]1C[C@H](NC(=O)[C@@H]2CC[C@H]2C(N)=O)C1 1059368602 XXIFWLUMOSLYTO-GWOFURMSSA-N 314.349 -0.081 30 20 DBED N#CCSCC(=O)NCC[C@@H]1CCN(C(=O)CC(N)=O)C1 1059379274 NZTBCXUUDOCYAR-SNVBAGLBSA-N 312.395 -0.527 30 20 DBED COC(=O)NCC(=O)NCC[C@@H]1CCN(C(=O)[C@@H](C)C#N)C1 1060288972 HRBVLFNLXWFNPR-WDEREUQCSA-N 310.354 -0.143 30 20 DBED C=CCOCC(=O)N1CCOC[C@@H]1CNC(=O)CC(C)(C)O 1061546417 QFTIRBZQUDRSEP-LBPRGKRZSA-N 314.382 -0.306 30 20 DBED O=C(C#CC1CC1)NC[C@H]1COCCN1C(=O)CN1CCCC1 1061571781 HBXGNQMTGIHREI-HNNXBMFYSA-N 319.405 -0.161 30 20 DBED Cc1cc(C(=O)N2CCOC[C@@H]2CNC(=O)[C@@H](C)C#N)n(C)n1 1061845941 LZRSKZHOKNKCBK-JQWIXIFHSA-N 319.365 -0.155 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CCCCN1C(=O)Cn1cnnn1 1061998057 QWJQCOLMKDAZSR-CYBMUJFWSA-N 316.365 -0.416 30 20 DBED CC(C)(C(N)=O)C(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(C#N)n1 1062539568 VVKJNWCNBCJZCW-QWRGUYRKSA-N 314.349 -0.351 30 20 DBED Cn1cc(C(=O)NC2(CNC(=O)CSCC#N)CCC2)nn1 1062579163 INYQWZVCUPTYJB-UHFFFAOYSA-N 322.394 -0.159 30 20 DBED O=C(C#CC1CC1)NC1(CNC(=O)CN2CCOCC2)CCC1 1062821624 NLRSPCDOJKLSNK-UHFFFAOYSA-N 319.405 -0.113 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)CN2C(=O)CCC2=O)CCC1 1063005587 NQFVSLFVXDKUDP-SNVBAGLBSA-N 320.349 -0.550 30 20 DBED C=CCO[C@H](C)C(=O)NCC1(NC(=O)[C@H]2C[C@H]2C(N)=O)CCC1 1063427262 CGNIOMSCTLRTTC-UTUOFQBUSA-N 323.393 -0.146 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)[C@@H](C)NC(C)=O)CCO1 1064818390 PLIZXTCPURSVMF-OCCSQVGLSA-N 323.393 -0.342 30 20 DBED C=CC(C)(C)C(=O)NC[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2)CCO1 1064976571 LRFCBUWQOACCBX-VXGBXAGGSA-N 323.393 -0.179 30 20 DBED CNC(=O)CC(=O)N1CCO[C@H](CNC(=O)C#CC(C)C)C1 1065078186 DTWIRSQGFONQBB-GFCCVEGCSA-N 309.366 -0.875 30 20 DBED C#CCO[C@H](C)C(=O)N(C)CCCN(C)C(=O)Cn1cncn1 1067430255 CFGBSTOWDZXCEM-CYBMUJFWSA-N 321.381 -0.377 30 20 DBED N#Cc1cnc(N2C[C@H]3[C@H](CNC(=O)c4nc[nH]n4)[C@H]3C2)cn1 1068180448 JQMLEHOAKHOLIC-RTCCRHLQSA-N 310.321 -0.421 30 20 DBED N#Cc1ccc(NC[C@H]2C[C@H](NC(=O)[C@@H]3CCC(=O)N3)C2)nn1 1068508022 LMRQUOMRUSRECE-DLOVCJGASA-N 314.349 -0.066 30 20 DBED C=CCCC(=O)N1CC2(C[C@@H](NC(=O)[C@@H](C)NC(C)=O)CO2)C1 1068682098 LIKVSWVIPQXMPN-DGCLKSJQSA-N 323.393 -0.037 30 20 DBED C=CCCC(=O)N1CC2(C[C@H](NC(=O)CC(=O)NC)CO2)C1 1068826591 JMARJMAHVYJDRZ-NSHDSACASA-N 309.366 -0.425 30 20 DBED CCc1cc(C(=O)N[C@@H]2CN(CC#N)C[C@@H]2n2ccnn2)n[nH]1 1069898208 CLCBNKJLMXZVBJ-OLZOCXBDSA-N 314.353 -0.258 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)c2cn(C)nn2)CCOCC1 1070101063 XCWGIMCYFCGVSZ-JTQLQIEISA-N 320.353 -0.630 30 20 DBED C=CCOCC(=O)N[C@@H]1CCCN(C(=O)[C@H]2COCCO2)C1 1070458017 KTSNHLZTGJNPMD-CHWSQXEVSA-N 312.366 -0.288 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2[nH]nnc2C)C[C@H]1c1cn(C)cn1 1070520721 FENFCEPTNHEBQD-WCQYABFASA-N 313.365 -0.322 30 20 DBED C=CCOCC(=O)N[C@@H]1CCCN(C(=O)c2cnn(C)c2N)C1 1070644511 COFFAACZLUBIQS-LLVKDONJSA-N 321.381 -0.074 30 20 DBED CC(C)C#CC(=O)N[C@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1C 1071725935 FHYYUYBCFCNTQT-NEPJUHHUSA-N 314.407 -0.347 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)CNC(=O)CC)C[C@@H]1C 1071816312 VLIKEGASUGOHRJ-NWDGAFQWSA-N 311.382 -0.322 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](NC(=O)c2ccoc2)[C@H](C)C1 1071932924 OXKQYUHKEOVCLD-DGCLKSJQSA-N 317.345 -0.004 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CCN(C(=O)CNC(N)=O)CC1(C)C 1073483616 ZIIZSMHCIMZUMQ-UWVGGRQHSA-N 309.370 -0.442 30 20 DBED N#CCN1CCCO[C@@H](CNC(=O)c2ccc(C(N)=O)[nH]2)C1 1073766916 ROTZNMVALMVILM-JTQLQIEISA-N 305.338 -0.542 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(O)(CNC(=O)c2csnn2)CC1 1074706059 FCORBVMKIOGGIJ-VIFPVBQESA-N 323.378 -0.219 30 20 DBED C=CCOCC(=O)N1CC[C@H](NC(=O)CC(=O)NC)C[C@H]1C 1074951499 RIOWXUDRTNLCSU-NEPJUHHUSA-N 311.382 -0.179 30 20 DBED C=CCOCC(=O)N[C@@H](C)CCNC(=O)CN1CCOCC1 1076197082 HKBYBVDLSUZFHS-ZDUSSCGKSA-N 313.398 -0.468 30 20 DBED C#CCOCCC(=O)NCC[C@H](C)NC(=O)Cc1n[nH]c(C)n1 1076504356 XDOXAJRLMASKMQ-NSHDSACASA-N 321.381 -0.293 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)c2cc(O)nc(C3CC3)n2)C1 1077194161 ZOGFVZYWLQAWIG-CHWSQXEVSA-N 316.361 -0.142 30 20 DBED N#CCN[C@H]1C[C@H]2CC[C@H]1N(C(=O)c1nccnc1C(N)=O)C2 1079102761 ZYROEGVWTRZXIQ-OUAUKWLOSA-N 314.349 -0.318 30 20 DBED CCN(C(=O)[C@H](C)S(C)(=O)=O)C1CN(C(=O)[C@H](C)C#N)C1 1080055522 HBQLWMKFXRXJIL-ZJUUUORDSA-N 315.395 -0.362 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)c2ccnnc2)C[C@H]1O 1081338957 YRLIXSWTSLXUPB-QWHCGFSZSA-N 304.350 -0.008 30 20 DBED C=CCOCC(=O)N1C[C@H](CNC(=O)c2ccn(C)c2)[C@@H](O)C1 1081408525 OQCAOJOYOLFWBF-KBPBESRZSA-N 321.377 -0.223 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cncn2C)C1 1081582097 CUJKVKXMKUTSOG-YPMHNXCESA-N 322.365 -0.828 30 20 DBED C#CCO[C@H](C)C(=O)N1CCCC[C@H]1CNC(=O)CC(=O)NC 1082076308 VICQUUQSHPBSEN-OLZOCXBDSA-N 323.393 -0.342 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CN(C[C@@H](C)OC)C[C@H]2OC)nn1 1082213409 ZERUKOCJMRALBV-YRGRVCCFSA-N 323.397 -0.072 30 20 DBED C#CCN1C[C@@H](NC(=O)c2cccnc2C(N)=O)[C@H](OC)C1 1082381111 WMNPUKSZBMSPSB-VXGBXAGGSA-N 302.334 -0.757 30 20 DBED C=CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CN(CC)CCO1 1083281149 XHZKVBLWZDBMBL-ZNMIVQPWSA-N 309.410 -0.195 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)C1 1083504988 WWGQNQHNHUJMPB-UPJWGTAASA-N 309.410 -0.019 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2CN(CC)CCO2)C1 1084077228 KWDWBZPESZGPOP-AGIUHOORSA-N 317.817 -0.379 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCc3nncn3C2)C1 1084085914 JNUZDTJDGPWQRB-XQQFMLRXSA-N 305.382 -0.422 30 20 DBED C#CCN1CC[C@@H]2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)C[C@@H]21 1084960923 YRDACRZBQJRYIK-WOPDTQHZSA-N 304.350 -0.860 30 20 DBED C=CCCN1CC[C@@H]2CN(C(=O)CN3CCNC(=O)C3)C[C@@H]2C1 1088065137 JNSRWCOQMSDAAD-CABCVRRESA-N 320.437 -0.225 30 20 DBED C=CCN1CC[C@@H](N2CC[C@H](NC(=O)c3nc[nH]n3)[C@H]2C)C1=O 1088929518 FFBTUTISRUQUOH-GRYCIOLGSA-N 318.381 -0.216 30 20 DBED CC[C@H](OC)C(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1O 1090374453 YVALFMBYUNCHCL-UTUOFQBUSA-N 305.338 -0.561 30 20 DBED COC[C@@H](C)CC(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1O 1090475401 CUXDNWWGAZSNOL-CYZMBNFOSA-N 319.365 -0.313 30 20 DBED CCOCC(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1OC 1090858300 OAABQNKSJYZDKQ-VXGBXAGGSA-N 305.338 -0.295 30 20 DBED N#CCNC1CC(CNC(=O)[C@H]2COCCN2CC(F)F)C1 1091163524 CYJUSOQCZUVYHX-HTAVTVPLSA-N 316.352 -0.040 30 20 DBED N#Cc1nc(=N[C@H]2C[C@@H](CNC(=O)CCNC(N)=O)C2)cc[nH]1 1091347869 QHTDPGXDFCRSEN-AOOOYVTPSA-N 317.353 -0.865 30 20 DBED C#CCN[C@@H]1C[C@]2(C[C@H]1O)CN(C(=O)CC(N)=O)[C@H]2C(C)C 1093437741 WKIXGVVZLIROOP-MPTQWLOMSA-N 307.394 -0.539 30 20 DBED CCN1CCOC[C@@H]1C(=O)NCCN=c1cc[nH]c(C#N)n1 1093978016 SZICQPJDRVZGGV-LLVKDONJSA-N 304.354 -0.981 30 20 DBED N#Cc1cnc(NCCCNC(=O)Cn2cnnc2O)cn1 1094373503 HVHVQJFBGAWGRI-UHFFFAOYSA-N 302.298 -0.736 30 20 DBED N#Cc1cncc(NCCCNC(=O)C[C@@H]2CC(=O)NC2=O)n1 1094485271 DJPKHTVVKVNFOI-SECBINFHSA-N 316.321 -0.681 30 20 DBED C[C@@H](C(=O)NCCCNc1cncc(C#N)n1)N1CCOCC1 1094485816 QNBWLIXVSQPIKV-LBPRGKRZSA-N 318.381 -0.013 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)c3cnn(CC)n3)CC2=O)C1 1094734306 VNMDGLFSYOSCJT-LLVKDONJSA-N 318.381 -0.501 30 20 DBED C#CCN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN1CC(=O)N(C)C1=O)C2 1095038185 ZPLVFTZLDKNUOC-AVGNSLFASA-N 318.377 -0.517 30 20 DBED Cc1cc(C#N)nc(N(C)[C@H]2CCN(C(=O)CNC(N)=O)C2)n1 1095091672 RVTKVEHNMAQHDP-NSHDSACASA-N 317.353 -0.638 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](N(C)c2ccc(C)nn2)C1 1095111218 OCDPAODIZMCRSA-CYBMUJFWSA-N 315.377 -0.038 30 20 DBED N#Cc1cnccc1N1CCC(NC(=O)CNC(N)=O)CC1 1095388506 HZKHHMWBKRQYJX-UHFFFAOYSA-N 302.338 -0.293 30 20 DBED COCCC(=O)NCCN1CCN(c2nccnc2C#N)CC1 1096259695 FOKDTDGTCGNYHZ-UHFFFAOYSA-N 318.381 -0.377 30 20 DBED CNC(=O)C1(C(=O)N[C@H]2CCN(c3ccnc(C#N)n3)C2)CC1 1096396044 SRQFYWLWZJYQAR-JTQLQIEISA-N 314.349 -0.431 30 20 DBED N#Cc1nccc(N2CC[C@@H](NC(=O)C(=O)NCC3CC3)C2)n1 1096417520 NOGYHQJDORICGW-LLVKDONJSA-N 314.349 -0.431 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@H](Nc2ncnc3c2nnn3C)C1 1097003281 UNJKIPJMDFXCAN-IWSPIJDZSA-N 300.326 -0.023 30 20 DBED N#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1coc(S(N)(=O)=O)c1 1097365862 WPDUTCMMAFOWCB-MXWKQRLJSA-N 324.362 -0.214 30 20 DBED Cc1cc(=N[C@@H](C)CNC(=O)C2(C(N)=O)CC2)c(C#N)c[nH]1 1098225338 CSXRZNVSCZZUBC-JTQLQIEISA-N 301.350 -0.134 30 20 DBED C#CCNCc1cn([C@H]2CCN(C(=O)c3cnn(C)c3)C2)nn1 1098608252 QYKKWJMWQGAMFQ-AWEZNQCLSA-N 313.365 -0.178 30 20 DBED C#CCNCc1cn([C@H]2CCN(C(=O)CC(C)(C)O)C2)nn1 1098663789 JFTFPNPUYQVBSS-ZDUSSCGKSA-N 305.382 -0.065 30 20 DBED C=C(Cl)CN1CC[C@@H](NC(=O)CCn2cncn2)[C@H](O)C1 1099679390 ZQRHDUMWJOMBJC-VXGBXAGGSA-N 313.789 -0.028 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(Cc2nnc(C)o2)C[C@@H]1O 1099740256 ADFFYMIWGMWHNC-RYUDHWBXSA-N 310.354 -0.368 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(Cc2cnnn2CC)C[C@H]1O 1099740636 HLCRXAHYLIAWIV-UONOGXRCSA-N 323.397 -0.448 30 20 DBED C#CCCN1CC[C@H](NC(=O)C(C)(C)NC(=O)NC)[C@H](O)C1 1100127151 TYNRZOXUSITRHO-NWDGAFQWSA-N 310.398 -0.731 30 20 DBED C#CCCN1CC[C@H](NC(=O)CCCCC(=O)NC)[C@@H](O)C1 1100139629 UTSTTXYRMUTZOM-KBPBESRZSA-N 309.410 -0.133 30 20 DBED CN(CCNC(=O)[C@H]1CCNC(=O)CC1)c1cncc(C#N)n1 1100237389 GYVFTUZAYDUUFT-LLVKDONJSA-N 316.365 -0.183 30 20 DBED CC[C@H](C)OCC(=O)NCC1CC(NCC(=O)NCC#N)C1 1100252844 ZUJZYHUKJZNUAB-HIFPTAJRSA-N 310.398 -0.074 30 20 DBED N#Cc1nccnc1N1CCC[C@H]1CNC(=O)C1(C(N)=O)CC1 1100902179 GGFABBGILJUNRA-JTQLQIEISA-N 314.349 -0.301 30 20 DBED N#Cc1ccc(N2CC[C@@H](CNC(=O)Cn3nccn3)C2)nn1 1101019908 ZMUPBLZTAJTGHQ-NSHDSACASA-N 312.337 -0.418 30 20 DBED CN(CCNc1nccnc1C#N)C(=O)[C@@H]1CCC(=O)N1C 1101895683 YXEKGLGJKCJVAM-NSHDSACASA-N 302.338 -0.161 30 20 DBED CCNC(=O)CC(=O)N(C)[C@H]1CCN(c2cncc(C#N)n2)C1 1102695769 MQGLBFRTRJFSAG-LBPRGKRZSA-N 316.365 -0.088 30 20 DBED C[C@@H]1CN(C(=O)CN2CCOCC2=O)C[C@H]1CCNCC#N 1104295924 XFMBGZILSHWFMN-CHWSQXEVSA-N 308.382 -0.557 30 20 DBED N#CCNC1CCC2(CC1)CN(C(=O)CCNC(N)=O)CCO2 1105487007 KLNMGZLATVXRPA-UHFFFAOYSA-N 323.397 -0.302 30 20 DBED N#Cc1ccc(NC[C@H]2CCC[C@H]2NC(=O)CC(N)=O)nn1 1105651045 IRRNEDUKEIMZRH-MWLCHTKSSA-N 302.338 -0.080 30 20 DBED C[C@H](CCNc1ccc(C#N)cn1)NC(=O)Cn1cnnn1 1106195368 VNLPNCRWDORHJF-SNVBAGLBSA-N 300.326 -0.053 30 20 DBED C#CCN1CC(n2cc(CNC(=O)C(=O)C(C)(C)C)nn2)C1 1107145991 QVKVCWGDXCOASF-UHFFFAOYSA-N 303.366 -0.001 30 20 DBED Cc1nccn1CC(=O)NCc1cn(C2CN(CC#N)C2)nn1 1107236332 VQEQAZUTKKPLNW-UHFFFAOYSA-N 314.353 -0.520 30 20 DBED CNC(=O)C1(C(=O)NC/C=C\CN=c2cc[nH]cc2C#N)CC1 1107252994 UXDMHNIPEQYVKX-IHWYPQMZSA-N 313.361 -0.014 30 20 DBED C=CCOCCN1CCO[C@@](C)(CNC(=O)CC(=O)NC)C1 1107891736 KBJQTGVHYZVAJA-HNNXBMFYSA-N 313.398 -0.468 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)[C@@H]2COCCN2CC)C1 1108039771 FZITWJSORNHSBY-HOCLYGCPSA-N 309.410 -0.453 30 20 DBED C#Cc1ccc(C(=O)NC[C@@]2(C)CN(CC(N)=O)CCO2)cn1 1108349673 LWBWYMWZSCXMNV-INIZCTEOSA-N 316.361 -0.631 30 20 DBED CC(C)(C)C(=O)NC[C@]1(C)CN(CC(=O)NCC#N)CCO1 1108356349 BOXROTLIBKNVSW-OAHLLOKOSA-N 310.398 -0.121 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)c2cnn(C)c2OC)C1 1108369076 JJMBOYCETJMWFE-OAHLLOKOSA-N 306.366 -0.117 30 20 DBED C[C@@H](CNc1ccc(C#N)cn1)NC(=O)CCn1cnnn1 1108483895 AIPVBPYXUACXLZ-JTQLQIEISA-N 300.326 -0.053 30 20 DBED C=C(C)CN1CC(N2C[C@H](NC(=O)CNC(C)=O)CC2=O)C1 1108496967 XSYQJCJMUVHUOF-GFCCVEGCSA-N 308.382 -0.900 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)CNC(=O)CC)CC2=O)C1 1108523206 DUBAREGZLDCXEK-NSHDSACASA-N 308.382 -0.900 30 20 DBED C=CCCN1CC(N2C[C@H](NC(=O)CC(=O)N(C)C)CC2=O)C1 1108576157 OTBZMNKURXGAQW-GFCCVEGCSA-N 322.409 -0.558 30 20 DBED CC#CCN1CC(N2C[C@H](NC(=O)CCN(C)CC)CC2=O)C1 1108585125 NXCHXAPUQZBSEZ-CQSZACIVSA-N 320.437 -0.247 30 20 DBED C[C@H](CN(C)c1ncc(C#N)cc1F)NC(=O)Cn1cnnn1 1108850370 OCHMRPCYAQLEMH-SECBINFHSA-N 318.316 -0.280 30 20 DBED CCNC(=O)CC(=O)N[C@H](C)CN(C)c1ccc(C#N)nn1 1108944339 AOULIHIMOADJGC-SNVBAGLBSA-N 304.354 -0.185 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCN1CCNC1=O 1109079823 CDQPLENBBPGQAC-NDBYEHHHSA-N 305.382 -0.107 30 20 DBED CN(CCCNc1cncc(C#N)n1)C(=O)[C@H]1COCCN1C 1109410278 VHSBYCFGSLMUIC-CYBMUJFWSA-N 318.381 -0.061 30 20 DBED CCNC(=O)CC(=O)N1CCC[C@H]1CN=c1cc[nH]c(C#N)n1 1110542294 WOUBVMDOKGCSAA-NSHDSACASA-N 316.365 -0.301 30 20 DBED CO[C@@H](C)C(=O)N(C)[C@H]1CN(c2ccncc2C#N)C[C@@H]1O 1111171109 QVCSXEWXEIVYNQ-BPNCWPANSA-N 304.350 -0.004 30 20 DBED CC(C)[C@@H](O)C(=O)N(C)[C@H]1CN(c2ccncc2C#N)C[C@@H]1O 1111181490 YSZABNLQLODFGM-SOUVJXGZSA-N 318.377 -0.022 30 20 DBED CN(C)CCC(=O)NC[C@H]1COCCN1c1ccnc(C#N)n1 1111718776 GZBCXQZFKLWBDQ-LBPRGKRZSA-N 318.381 -0.379 30 20 DBED CNC(=O)NCC(=O)NCC1(Nc2ccc(C#N)nn2)CCC1 1111920780 AKSVJQMZEBOVGL-UHFFFAOYSA-N 317.353 -0.272 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 1112771289 OLHUBYUTNJDTMB-GFCCVEGCSA-N 313.361 -0.218 30 20 DBED COCCOCC(=O)N[C@H](C)[C@@H](C)N=c1cc[nH]c(C#N)n1 1112934524 ZSMSQZOKMYOHMS-GHMZBOCLSA-N 307.354 -0.262 30 20 DBED C#CCC1(C(=O)N2CCN([C@H](C)C(N)=O)CC2)CCOCC1 1112950053 HXPVRZXNZWUSMI-CYBMUJFWSA-N 307.394 -0.176 30 20 DBED CN1CCCC[C@H]1C(=O)N1CCN(CC(=O)NCC#N)CC1 1113018850 CHBGNERIWDEDRR-ZDUSSCGKSA-N 307.398 -0.745 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)c2cnc(O)n2C)CC1 1113190227 DJGPNUDDKRFALK-LLVKDONJSA-N 319.365 -0.979 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2cnoc2CC)CC1 1113391512 HJDBLLZANMLBLI-UHFFFAOYSA-N 304.350 -0.256 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@@H](C)n3cccn3)[C@H]2C1 1113894120 RGVOQXZVJRGYNB-CXTNEJHOSA-N 317.393 -0.207 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)c3ncc[nH]3)[C@H]2C1 1114236827 BGRDQVNMQNMWBY-DCAQKATOSA-N 301.350 -0.792 30 20 DBED CC(=O)NCC(=O)NCCOCCCNc1cnc(C#N)cn1 1115375536 ILVRERVUYXYRPZ-UHFFFAOYSA-N 320.353 -0.581 30 20 DBED CS(=O)(=O)CCNN=Cc1cn(C[C@@H]2CCCO2)nn1 1119072768 PWQZGHOUYXLJPM-NSHDSACASA-N 301.372 -0.575 30 20 DBED C[C@H](CN(C)C(=O)[C@H]1CN(C)C(=O)N1)Nc1cncc(C#N)n1 1120408454 MTEDTNKCNLOMEM-MWLCHTKSSA-N 317.353 -0.369 30 20 DBED C#CCNC1CC2(C1)CC(NC(=O)CN(C)C(=O)COC)C2 1121193409 BHPYZQGXLXUICK-UHFFFAOYSA-N 307.394 -0.259 30 20 DBED CN1CC[C@H](CC(=O)NC[C@H](CO)Nc2nccnc2C#N)C1 1121807574 VVWDMFJGHBYCFY-VXGBXAGGSA-N 318.381 -0.421 30 20 DBED C#Cc1ccc(C(=O)NC[C@H](CO)Nc2cncc(C#N)n2)cn1 1121847303 MMTAFKQFIRIBGO-CQSZACIVSA-N 322.328 -0.073 30 20 DBED Cc1cc(=N[C@@H](CO)CNC(=O)CCN(C)C)c(C#N)c[nH]1 1122542484 GVLOOCSJZTZBHL-CYBMUJFWSA-N 305.382 -0.476 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@H](CO)Nc1ncc(F)cn1 1122768937 FSFCZISDCKGYHC-STQMWFEESA-N 321.356 -0.398 30 20 DBED CCc1n[nH]cc1C(=O)NC[C@@H](CO)Nc1cncc(C#N)n1 1122834900 DYNCYUJMRGBQQX-JTQLQIEISA-N 315.337 -0.163 30 20 DBED CC(=O)NCC(=O)N1C[C@H](Nc2cnc(C#N)cn2)C[C@H]1C 1123123209 WHOPDZYPRHGZOO-MWLCHTKSSA-N 302.338 -0.114 30 20 DBED C=C[C@@](C)(O)CC(=O)N(C)C[C@H](O)CNc1ccc(C#N)nn1 1124266329 GZQDBBWIDMDVJC-IUODEOHRSA-N 319.365 -0.093 30 20 DBED COCCN(CCNC(=O)c1cnn[nH]1)c1ccc(C#N)nc1 1126561897 QTVKHGWWNSKRHJ-UHFFFAOYSA-N 315.337 -0.046 30 20 DBED CC(=O)NCC(=O)NCC1=CCN(c2nccnc2C#N)CC1 1127531590 PBHOAKJKFNOEEV-UHFFFAOYSA-N 314.349 -0.263 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)CC)C[C@@H]1n1ccnn1 1129505537 AHPXMQJOIJKVQO-XQQFMLRXSA-N 320.397 -0.280 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@@H](C)NC(C)=O)C[C@H]1c1cn(C)cn1 1130488082 NVJJHSQNIGEHTM-OSAQELSMSA-N 317.393 -0.538 30 20 DBED C#CCCNC[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)COC)n2)O1 1130752917 HSWXXDVLSXFNPB-NWDGAFQWSA-N 321.381 -0.100 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1cn2cccnc2n1 1130800559 KPVWDOMMQMKGOA-UHFFFAOYSA-N 302.338 -0.649 30 20 DBED C=C(C)CNC[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C(N)=O)n2)O1 1130802075 ARYZATLTBDHFDN-VHSXEESVSA-N 322.369 -0.708 30 20 DBED C#CCCN1CCOC[C@@H]1c1n[nH]c(CNC(=O)[C@H](C)C#N)n1 1130834521 AUEMXKQNTCOEPT-VXGBXAGGSA-N 316.365 -0.023 30 20 DBED COc1cncc(CCC(=O)NCCNCC(=O)NCC#N)c1 1131112197 ROFQYTRVHHKGES-UHFFFAOYSA-N 319.365 -0.632 30 20 DBED C=C(C)CN1CC[C@]2(C1)CN(C(=O)CNC(N)=O)C[C@H](C)O2 1131628147 DWUZEHZBZUDIDR-WFASDCNBSA-N 310.398 -0.077 30 20 DBED C#CCN1CC[C@@]2(C1)CN(C(=O)CN(C)C(C)=O)C[C@@H](C)O2 1131639944 XCSQMZARVRVBLR-CZUORRHYSA-N 307.394 -0.210 30 20 DBED C[C@@H]1CC[C@H](NC(=O)CN2CCCC2)CN1CC(=O)NCC#N 1132489667 LYDJYHSQXNLREZ-KGLIPLIRSA-N 321.425 -0.309 30 20 DBED C=CCn1cc(C(=O)NCCNCc2cn(CC)nn2)nn1 1134973601 YOZLGOHBHOJBRX-UHFFFAOYSA-N 304.358 -0.405 30 20 DBED C=CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)C1(C(=O)NC)CC1 1135675723 KSZVFAYTMCBAOI-VXGBXAGGSA-N 324.425 -0.312 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)CCc1cnccn1 1146736594 LRPOLGYTHZSOGR-GFCCVEGCSA-N 303.366 -0.747 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC2(CN(C(=O)[C@H](C)COC)C2)C1 1147219442 XGAWUILSYIWCBT-KGLIPLIRSA-N 321.421 -0.059 30 20 DBED C#CCN1CCC(C(=O)NCCN[C@H]2CCCNC2=O)CC1 1152334559 HOAOPNQOZSCOLB-AWEZNQCLSA-N 306.410 -0.684 30 20 DBED CCN(CC#N)[C@H](C)CNC(=O)[C@H]1CC(=O)N(CCOC)C1 1153682571 GAYCXNQVDSGGAN-OLZOCXBDSA-N 310.398 -0.169 30 20 DBED C[C@H](C#N)C(=O)NCCCNCCN1CCCS1(=O)=O 1155835871 GTVSWNOJIZJHHN-LLVKDONJSA-N 302.400 -0.723 30 20 DBED COCCOC[C@@H](O)CNCCCNC(=O)c1cc(C#N)c[nH]1 1156282622 ZNCORVDLFJTLOP-ZDUSSCGKSA-N 324.381 -0.380 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC=C(CCNC(=O)CC(N)=O)CC1 1159646650 JXTPLCCQWAEOBW-GFCCVEGCSA-N 320.393 -0.862 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)C[C@@H]1CCN(C)C1=O 1160592089 NRARCWPCZCVECX-STQMWFEESA-N 324.425 -0.359 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@H](C1CC1)N1CCCC1 1163224110 SGCLUFSQGMUKLG-INIZCTEOSA-N 320.437 -0.294 30 20 DBED N#CCNC(=O)CN1CCO[C@H]2CCN(C(=O)C3CCC3)C[C@H]21 1176881405 DPVUFQMQGAWBMW-KGLIPLIRSA-N 320.393 -0.272 30 20 DBED C#CCC1(C(=O)N2CC[C@@H]3OCCN(CC(N)=O)[C@H]3C2)CCC1 1177031846 ZCOVTCFNFRCOHQ-KBPBESRZSA-N 319.405 -0.033 30 20 DBED COC[C@H](C)CC(=O)N1CC[C@H](NCC(=O)NCC#N)[C@@H]1C 1179821772 PDIJYMJFTODHCJ-AGIUHOORSA-N 310.398 -0.122 30 20 DBED CC#CCNCCCCCCNC(=O)CN1C(=O)CNC1=O 1180223970 OUFCPMFOAFONOG-UHFFFAOYSA-N 308.382 -0.172 30 20 DBED COCC#CCNC[C@]1(C)CN(C(=O)CNC(N)=O)C[C@H]1C 1180506135 LXOJZHLSSXWSKL-IUODEOHRSA-N 310.398 -0.621 30 20 DBED C=CCOCCN[C@@H]1CCN(C(=O)c2cnc(O)n(C)c2=O)C1 1184785011 PHNBQOYCUVMRMC-LLVKDONJSA-N 322.365 -0.507 30 20 DBED CC[C@@H](C(=O)N1CC[C@@H](NCC(=O)NCC#N)C1)N(CC)CC 1185609816 PMIOVVMMBUQNGM-KGLIPLIRSA-N 323.441 -0.063 30 20 DBED CC1(C(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)CCOCC1 1186363225 VFUFZEVYTYEAJX-GFCCVEGCSA-N 308.382 -0.367 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)Cc2cncnc2)C1 1189875207 WSLDUJUHHPUAPX-AWEZNQCLSA-N 317.393 -0.146 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2ccc(C)o2)C1 1190831705 NMKONJHHLANBOB-VXGBXAGGSA-N 307.350 -0.335 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)c2ccc[nH]2)C1 1190989783 ISPHBGNKMTVZOR-RAIGVLPGSA-N 306.366 -0.520 30 20 DBED CCOCC1(C(=O)N2CC[C@@H](N(C)CC(=O)NCC#N)C2)CC1 1191008737 AGSVKYJTZQZZDZ-CYBMUJFWSA-N 322.409 -0.024 30 20 DBED N#CCSCC(=O)N[C@@H]1CN(CC[C@@H]2CCCO2)C[C@H]1O 1191162344 RHKCGZAYDATCPF-YNEHKIRRSA-N 313.423 -0.026 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCCN(Cc2nnn(C)n2)CC1 1195652535 REMFPPOLCBRTSS-CQSZACIVSA-N 308.386 -0.429 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)C(C)(C)NC(C)=O)C1 1196978140 SWQNLNMKPGGCMF-CHWSQXEVSA-N 313.398 -0.735 30 20 DBED Cc1nc[nH]c1CC(=O)N1CCCN(CC(=O)NCC#N)CC1 1197950463 DFHXAAFLMHPUBS-UHFFFAOYSA-N 318.381 -0.565 30 20 DBED Cc1cccc(C)c1NC(=O)C(=O)N[C@@H]1CN(CC#N)C[C@H]1O 1199567225 MRUHDFLJWSQBLZ-CHWSQXEVSA-N 316.361 -0.073 30 20 DBED C=CCn1cc(C(=O)N2CCCO[C@H](CNCCO)C2)nn1 1201584578 AKAKOWCSFPOZHO-GFCCVEGCSA-N 309.370 -0.723 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)Cc2ncc[nH]2)CC1 1203052080 KWLCERSVWFFRED-UHFFFAOYSA-N 303.366 -0.718 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)c2cn(C)nn2)CC1 1205170353 BPHMBAWYFGOWSU-UHFFFAOYSA-N 318.381 -0.994 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2nccc(C)n2)[C@H](C)C1 1206918276 SXNNRNQQIZUEEO-DGCLKSJQSA-N 315.377 -0.415 30 20 DBED CCCNC(=O)NC(=O)CN[C@@H]1CCCN(C(=O)[C@@H](C)C#N)C1 1207688436 PEQCQEOHJJZYOP-NWDGAFQWSA-N 323.397 -0.038 30 20 DBED C=CCOCCN[C@H]1CCCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 1208353063 WKSYOEMFIZWNAG-RYUDHWBXSA-N 324.381 -0.632 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2CCN(C)C2=O)C1 1209122925 VYWWKWSCJDZTFR-CHWSQXEVSA-N 322.409 -0.653 30 20 DBED C=CCn1cc(C(=O)N2CCC[C@@H](NC[C@@H](O)COC)C2)nn1 1210009110 CUSQHYWHTJJIEC-CHWSQXEVSA-N 323.397 -0.334 30 20 DBED N#CCN[C@H]1CCCN(C(=O)CNC(=O)C2CCOCC2)C1 1210197728 BXQRCANOHPKJGK-ZDUSSCGKSA-N 308.382 -0.367 30 20 DBED C#CCCN[C@@H]1CCCN(C(=O)c2cn(C)c(=O)nc2O)C1 1211057275 LGYQYEUZPDUWAZ-LLVKDONJSA-N 304.350 -0.297 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)c2cc[nH]n2)[C@H](OC)C1 1211896292 ANNNHRQWSUKJEE-CYZMBNFOSA-N 321.381 -0.471 30 20 DBED C=CCOCCN1C[C@@H](NC(=O)c2cncnc2O)[C@H](OC)C1 1212446147 IHGUKMYLNDGFFK-CHWSQXEVSA-N 322.365 -0.186 30 20 DBED C#CCCN1C[C@@H](NC(=O)C(C)(C)NC(=O)NC)[C@H](OC)C1 1213918387 STVMULABRDTSQH-VXGBXAGGSA-N 310.398 -0.467 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)/C=C\c2ccco2)C1 1219114721 YUWSHEHIDQTKMH-QJTIAFMVSA-N 319.361 -0.244 30 20 DBED C=CCCC(=O)N[C@@H]1CN(CCCN2C(=O)CNC2=O)C[C@@H]1O 1219344478 MJNNPMXSNIHDSB-NEPJUHHUSA-N 324.381 -0.944 30 20 DBED C=CCC[C@@H](C)N1C[C@H](O)[C@H](NC(=O)CN2CCOCC2)C1 1219472331 KGDAFPZGJZKRHN-KFWWJZLASA-N 311.426 -0.165 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(Cc2ocnc2C)C[C@@H]1O 1219535880 GZUAQIOEJNTGRE-TYNCELHUSA-N 309.366 -0.029 30 20 DBED CC(C)CNC(=O)CN1C[C@H](O)[C@H](NC(=O)C#CC2CC2)C1 1219593324 MJDUSNQSMDKKJI-KGLIPLIRSA-N 307.394 -0.667 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](NC(=O)CNS(=O)(=O)CC)C1 1219733413 MJKQWMVVDMQLRM-NEPJUHHUSA-N 319.427 -0.947 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)[C@H](OC)C3CC3)[C@@H]2C1 1221516500 RJQWBIKNCJXLQH-IIAWOOMASA-N 319.405 -0.307 30 20 DBED N#CCNC(=O)CN1CCC(CNC(=O)c2n[nH]cc2F)CC1 1224426541 OMNOBOCZYCKBFW-UHFFFAOYSA-N 322.344 -0.370 30 20 DBED Cn1nnc(CN[C@@H]2CCCC[C@H]2NC(=O)CSCC#N)n1 1224910878 WFQYZXBBUSYPIF-GHMZBOCLSA-N 323.426 -0.016 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)Cn2cncn2)CC1 1230194168 QGWYPXDZGHVHHM-UHFFFAOYSA-N 306.370 -0.839 30 20 DBED C#CCN1CCS(=O)(=O)[C@@H](CCNC(=O)c2cn(C)cn2)C1 1230444803 LCEYKGFNACZWPK-LBPRGKRZSA-N 324.406 -0.728 30 20 DBED COCC#CCN1CC[C@H]1CN(C)C(=O)CCn1cncn1 1230782376 VWLMWMJAUUOFOC-AWEZNQCLSA-N 305.382 -0.149 30 20 DBED C[C@@H](C#N)C(=O)N(C)C[C@@H]1CCN1CC(=O)NC1CCOCC1 1231247542 OVLZCYTWBCKHSB-JSGCOSHPSA-N 322.409 -0.026 30 20 DBED C=CCNC(=O)CN1CC[C@H]1CN(C)C(=O)[C@@H](C)n1cncn1 1233751797 PRYPAJQBKCRJPA-OLZOCXBDSA-N 320.397 -0.326 30 20 DBED C=CCNC(=O)[C@H](C)N(C)CCCNC(=O)CCn1cncn1 1234035921 UNBCWRVTYGKOLL-ZDUSSCGKSA-N 322.413 -0.203 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1CC(=O)NCC 1235453256 BAPFFWGHEZQTFO-GJZGRUSLSA-N 320.437 -0.247 30 20 DBED C=CCNC(=O)[C@H](C)N(C)CCCNC(=O)[C@H]1CCC(=O)N1 1235767123 WXZNUEPRCUPKCS-NWDGAFQWSA-N 310.398 -0.606 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N(CCS(C)(=O)=O)C(C)C 1261154592 OPQSHXODOQTZFJ-LLVKDONJSA-N 320.411 -0.415 30 20 DBED CC(C)CNC(=O)CNC(=O)C(=O)Nc1cnn(CC#N)c1 1319337184 SJYVKXPDAXSMRU-UHFFFAOYSA-N 306.326 -0.766 30 20 DBED C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)NCC1CCN(CC#N)CC1 1320179883 BMLVDZMQZJEICZ-RISCZKNCSA-N 322.409 -0.386 30 20 DBED COC(=O)CN(CC#N)C(=O)CCc1c(C)nc(O)nc1O 1321994235 DRSKBAOOLSLAFH-UHFFFAOYSA-N 308.294 -0.346 30 20 DBED CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCO[C@H](C#N)C1 1322759298 YFVDOMSLAOGXIC-CHWSQXEVSA-N 308.382 -0.272 30 20 DBED C[C@@H](CN1CCOCC1)NC(=O)C(=O)NCC1(CC#N)CC1 1323130218 YNBZUSIICOCZNJ-LBPRGKRZSA-N 308.382 -0.367 30 20 DBED Cc1ccc(NC(=O)C(=O)NCC(=O)NCC#N)c(N(C)C)n1 1323808081 IPANKABBSMMBNR-UHFFFAOYSA-N 318.337 -0.850 30 20 DBED N#CCNC(=O)CNC(=O)[C@H]1CC[C@H](C(F)(F)F)NC1=O 1324391622 OSDYLEXAXUPUFJ-RNFRBKRXSA-N 306.244 -0.801 30 20 DBED C=CCn1cnnc1S(=O)(=O)CC(=O)Nc1cc(C)nn1C 1324746663 SWBUTZYFIYAWHJ-UHFFFAOYSA-N 324.366 -0.082 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)NCCCO[C@H]2CCOC2)CCO1 1325270557 JKJXDXJBBYQXPH-NWDGAFQWSA-N 311.338 -0.951 30 20 DBED C#CCNC(=O)C1CCN(C(=O)c2ccn3nnnc3c2)CC1 1328309465 BYFQVIZWRVDTNH-UHFFFAOYSA-N 312.333 -0.274 30 20 DBED C=CCn1cc(C(=O)N2CCC(S(=O)(=O)NC)CC2)nn1 1328562029 KQHZGADDRWGIBK-UHFFFAOYSA-N 313.383 -0.382 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CC(C(C)C)C1 1329812588 IHAMGXNUCKSGFM-UHFFFAOYSA-N 302.396 -0.182 30 20 DBED COC(=O)c1ncoc1CCC(=O)N[C@H]1CCCN(O)C1=O 1330848302 DOEARRGADSLMAH-QMMMGPOBSA-N 311.294 -0.110 30 20 DBED Cc1cc(NC(=O)C(=O)N2CC[C@H](C(N)=O)C2)n(CCC#N)n1 1334474208 DLHBLOBCBNJKOY-JTQLQIEISA-N 318.337 -0.623 30 20 DBED C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCC[C@@H](C#N)C1 1335205926 YUJLJUQBPGZWEO-SRVKXCTJSA-N 308.382 -0.022 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)Nc1cnn(CC#N)c1 1335299216 BGAJAAQJNUVFAR-LLVKDONJSA-N 303.322 -0.110 30 20 DBED Cn1cc(C2=NO[C@H](C(=O)N3CCN(CC#N)CC3)C2)cn1 1338849338 BSBMZHBFASQMJK-ZDUSSCGKSA-N 302.338 -0.419 30 20 DBED C=CCn1c(C[C@H](O)CC#N)nnc1N1CC(=O)N(C)C[C@@H]1C 1338944357 JPADHBPGQFLBST-NWDGAFQWSA-N 318.381 -0.052 30 20 DBED N#CCCn1ccc(NC(=O)C(=O)N2C[C@H]3C[C@]3(CO)C2)n1 1343252373 UURBOUIZMHRHOW-QMTHXVAHSA-N 303.322 -0.424 30 20 DBED C=CCn1cc(CNC(=O)C(=O)NCc2nccs2)nn1 1345688418 CZLZOFXDKKDYOZ-UHFFFAOYSA-N 306.351 -0.147 30 20 DBED C=CCN(C(=O)c1cnn(CCO)c1)[C@@H]1CCS(=O)(=O)C1 1346307941 UCYAJPQTFVPDFX-GFCCVEGCSA-N 313.379 -0.309 30 20 DBED CCN(C[C@@H]1CCOC1)C(=O)Cn1cc(C#N)c(O)nc1=O 1361974013 SKBPQUUWZSGYNH-JTQLQIEISA-N 306.322 -0.294 30 20 DBED COc1ncc(NC(=O)NCCN2CCNC(=O)C2)cc1C#N 1364433148 ZRLXUTCYQGHSQN-UHFFFAOYSA-N 318.337 -0.485 30 20 DBED CCN(CCC#N)C(=O)CN[C@H](C)CNC(=O)c1ccncn1 1366339104 UTBONMHXNRSUDL-GFCCVEGCSA-N 318.381 -0.053 30 20 DBED CN(CCNC(=O)C[C@H]1CCC(=O)N1)c1ccc(C#N)nn1 1366809452 XLOKOIJBVVOHEN-SNVBAGLBSA-N 302.338 -0.431 30 20 DBED CN(C)C(=O)O[C@H]1CCN(C(=O)NCCn2cnc(C#N)n2)C1 1369787300 WDVOBFFDBMBXOZ-JTQLQIEISA-N 321.341 -0.368 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CN(C)C(=O)C1CCN(C)CC1 1383022302 LQPHTUIIZJVXPQ-WCQYABFASA-N 310.398 -0.577 30 20 DBED COCCN(CCNC(=O)[C@H](C)C#N)C(=O)[C@H]1CCCC(=O)N1 1383330304 FUXKKKYAMTZGHS-VXGBXAGGSA-N 324.381 -0.594 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)[C@H]1C 1395827865 GZNRAGWPFPQLLX-JOYOIKCWSA-N 317.349 -0.258 30 20 DBED COCc1nn(C)cc1C(=O)NCCN(C)C(=O)[C@H](C)C#N 1408606549 XALGAJCLIRPLID-SNVBAGLBSA-N 307.354 -0.086 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)CN2CCCCC2=O)C1 1414973326 HCVPHVKENOUMOV-SRVKXCTJSA-N 306.366 -0.078 30 20 DBED Cc1nc(O)nc(O)c1CC(=O)N(C)CCNC(=O)[C@@H](C)C#N 1415600467 WTHVPYJZOOSJDU-QMMMGPOBSA-N 321.337 -0.527 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@H](NCC(=O)NC(=O)NC2CC2)C1 1419404772 ZSGVNEFVNVMYLC-LSJOCFKGSA-N 307.354 -0.629 30 20 DBED C[C@H](C#N)C(=O)N[C@@H](CNC(=O)c1ccc(=O)n(C)n1)C1CC1 1428008238 OEOBSKZGGGYRLQ-SKDRFNHKSA-N 317.349 -0.435 30 20 DBED COC(=O)NCC(=O)NCCN(C)C(=O)c1ccc(C#N)[nH]1 1429174327 JBBKPADIRSBHSU-UHFFFAOYSA-N 307.310 -0.569 30 20 DBED Cc1cnn(CCC(=O)NC[C@@H](O)CNC(=O)[C@@H](C)C#N)c1 1431544670 GNBUUXRYCXSSDF-NWDGAFQWSA-N 307.354 -0.665 30 20 DBED CCN(CCNC(=O)c1cc(C#N)c[nH]1)C(=O)[C@H]1COC(=O)N1 1431612851 YNDRPYBFZPASKV-LLVKDONJSA-N 319.321 -0.427 30 20 DBED C[C@H](C#N)C(=O)NCCN(C(=O)CN1CCOCC1=O)C1CC1 1431911198 AUDKUPGBMZINBX-LLVKDONJSA-N 322.365 -0.888 30 20 DBED C[C@H](CNC(=O)[C@H]1CCC(=O)N1)N(C)C(=O)c1ccc(C#N)[nH]1 1442677405 DSRDDWMAYKHNRU-MWLCHTKSSA-N 317.349 -0.258 30 20 DBED N#CC1(C(=O)N2CCC(O)(c3nn[nH]n3)CC2)CCOCC1 1448342437 IPBCEZCOVVANIB-UHFFFAOYSA-N 306.326 -0.670 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)CCn2cccn2)C1 1452737273 ZIIOYUYAJSWYLA-UTUOFQBUSA-N 305.338 -0.879 30 20 DBED CN(C)CC1(C(=O)NCCn2cc(C#N)c(O)nc2=O)CC1 1453847568 ZTEXJFGWNWEOIO-UHFFFAOYSA-N 305.338 -0.721 30 20 DBED Cn1c(=O)[nH]c(NC[C@@H]2CCCN2CCCO)c(C#N)c1=O 1458390629 GSISBVNGEYEZIR-JTQLQIEISA-N 307.354 -0.796 30 20 DBED CCN(CCNC(=O)c1cc(C#N)c[nH]1)C(=O)[C@@H]1COCCO1 1528800298 SGQWVFMNYAPTHH-ZDUSSCGKSA-N 320.349 -0.120 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C(=O)CCn1cncn1)C1CC1 1529854458 TYNKTSXSKYNXBX-NSHDSACASA-N 304.354 -0.065 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)[C@@H]2C1 1573286234 WTOSLOFKSZNFPL-ZWNOBZJWSA-N 311.349 -0.026 30 20 DBED N#Cc1ncn(CC(=O)NCc2cncc(-c3nn[nH]n3)c2)n1 1592709757 OKMUAYRQYSNHEI-UHFFFAOYSA-N 310.281 -0.959 30 20 DBED N#Cc1ncn(CCNC(=O)c2cccc(-c3nn[nH]n3)c2)n1 1592710355 WEEQDJZPKLLITK-UHFFFAOYSA-N 309.293 -0.240 30 20 DBED CN(CCC(=O)O)C(=O)C(=O)NCCNc1ncccc1C#N 1593731615 ONINUCQWJUYZMO-UHFFFAOYSA-N 319.321 -0.586 30 20 DBED C#C[C@@H]1COCCN1Cn1ccc(C)c(-c2nn[nH]n2)c1=O 1602696627 LDOCYIBOIHOZNK-LLVKDONJSA-N 300.322 -0.372 30 20 DBED C#CCN1CCC(C(=O)Nc2nn(C)cc2-c2nn[nH]n2)CC1 1602721425 IVDOGJQSQLZIOI-UHFFFAOYSA-N 314.353 -0.116 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](CO)Nc1ccc(-c2nn[nH]n2)cn1 1602983957 PYLAPMBFULMOIJ-PSASIEDQSA-N 316.325 -0.690 30 20 DBED Cn1c(N2CC[C@@](C)(C#N)C2)c(-c2nn[nH]n2)c(=O)n(C)c1=O 1606217850 VJNANTHKBQJFHY-ZDUSSCGKSA-N 316.325 -0.996 30 20 DBED COCCN(CC#N)C(=O)[C@H](O)c1ccc(-c2nn[nH]n2)cc1 1609324345 VJZKKQHSZVNESE-GFCCVEGCSA-N 316.321 -0.101 30 20 DBED C=C1CCC(C(=O)NC[C@H](O)CNC[C@@H](O)COC)CC1 1699062548 JOBSKISLKHTWJO-ZIAGYGMSSA-N 300.399 -0.193 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)c2cc(OC)n(C)n2)C1 1752580450 ZUDXAZSSEZSUOR-NSHDSACASA-N 321.381 -0.465 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](C)CNCCN1CCNC1=O 1753630822 PBORCRFEYDUSHR-MCIONIFRSA-N 324.425 -0.055 30 20 DBED COCC#CCNCCCN(C)C(=O)C[C@@H]1CCC(=O)NC1 1754375590 IIYGQFYVPYHOIP-AWEZNQCLSA-N 309.410 -0.009 30 20 DBED C=CCCCN1CC(N(C)C(=O)[C@@H]2CCS(=O)(=O)N2)C1 1754587420 MOMRNOHXULFIQA-LBPRGKRZSA-N 301.412 -0.213 30 20 DBED C[C@@]1(NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)CCN(CC#N)C1 1754684418 ZTBPLTGQPMVKPL-CQSZACIVSA-N 315.337 -0.825 30 20 DBED C#CCOCCC(=O)NC[C@@]1(O)CCN(Cc2ncccn2)C1 1754751603 PEOOTKPELMOEIL-INIZCTEOSA-N 318.377 -0.431 30 20 DBED N#CCN1CC[C@](O)(CNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1754756430 NEOFGOUNVNROBB-XPCVCDNBSA-N 309.366 -0.886 30 20 DBED CC#CCN1CC[C@](O)(CNC(=O)c2cn(CCC)nn2)C1 1754759787 JYOCXBFLACIVJG-HNNXBMFYSA-N 305.382 -0.122 30 20 DBED C=CCN1CC[C@](O)(CNC(=O)Cc2nc3ncccn3n2)C1 1754762031 HVKNOUVJUWVEDX-HNNXBMFYSA-N 316.365 -0.594 30 20 DBED C[C@H](C(=O)N1CC[C@@H](CCNCC#N)C1)N1C(=O)CCC1=O 1754917145 JNUPFMCFURKAHH-VXGBXAGGSA-N 306.366 -0.124 30 20 DBED O=C(C#CC1CC1)N1CCC(O)(CNCCn2cncn2)CC1 1755148879 MVLNHHVQOJNBDW-UHFFFAOYSA-N 317.393 -0.365 30 20 DBED COCC#CCN(C)[C@@H](C)CNC(=O)CCS(C)(=O)=O 1755305484 QBAXBHRAVHWLEG-LBPRGKRZSA-N 304.412 -0.493 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H](NC(=O)CNC(C)=O)C(C)(C)C1 1755402861 BZAOVONABCRPAB-AAEUAGOBSA-N 324.425 -0.360 30 20 DBED C#CCCN[C@@H]1CCN(C(=O)CCS(=O)(=O)NC)[C@@H]1C 1755653180 FDNHILXVGUBJDQ-VXGBXAGGSA-N 301.412 -0.472 30 20 DBED CN(C(=O)C#CC1CC1)[C@H](CNC(=O)[C@H]1COC(=O)N1)C1CC1 1756413030 JXUNOESCIRQCHP-CHWSQXEVSA-N 319.361 -0.139 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@H]1C[C@@H](CNC(=O)Cn2cnnn2)C1 1757310025 YOHDCLCZERIIFP-WDMOLILDSA-N 322.369 -0.989 30 20 DBED COCCC(=O)N1CCC(NC(=O)N2CCO[C@H](C#N)C2)CC1 1771625827 BUVCNZXVZIXKBI-CYBMUJFWSA-N 324.381 -0.052 30 20 DBED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)=O 1795057269 BDYRQEFGZDJTHC-FQUUOJAGSA-N 324.377 -0.244 30 20 DBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)CCC(C)=O)C2)C1 1839806499 CJJMHHJLMWXLQQ-MRXNPFEDSA-N 322.361 -0.555 30 20 DBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)CC)C2)C1 1839810231 LZBOQVXBJVYHRD-HNNXBMFYSA-N 308.334 -0.945 30 20 DBED N#CCCNC(=O)COC(=O)CNC(=O)COc1ccccc1 8624749 IWABLPBLLKUDAK-UHFFFAOYSA-N 319.317 -0.245 30 20 DBED CCCNC(=O)CO/N=C(/N)C1=C(N)C2(CCCC2)N(C)C1=O 63456349 BAOQVVXVLOCSIG-UHFFFAOYSA-N 323.397 -0.201 30 20 DBED CN(CCC#N)CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 96969313 FRMWMNUAZGSAQI-UHFFFAOYSA-N 324.406 -0.162 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(C)C[C@H]2CCCOC2)C1=O 264560107 QOFNDBKSERILQB-LLVKDONJSA-N 323.349 -0.152 30 20 DBED C[C@@H](C#N)CN(C)[C@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O 299165705 OCPLJGKRTNGYCD-DTWKUNHWSA-N 307.354 -0.671 30 20 DBED Cc1noc(CN/C(O)=N/C[C@H]2CCCN2S(C)(=O)=O)n1 328787791 JRKAIQRXMNLNHV-SECBINFHSA-N 317.371 -0.194 30 20 DBED O/C(=N/C[C@@H](O)CN1CCOCC1)Nc1ccc(C2CC2)nn1 329126900 YTPDZWUQSXSRGO-GFCCVEGCSA-N 321.381 0.373 30 20 DBED CN(/C(O)=N/CCN1CCN(C)C(C)(C)C1)[C@@H]1COC[C@H]1O 329497799 JLZVWRYCOSASPX-CHWSQXEVSA-N 314.430 -0.382 30 20 DBED CCN(CCC#N)S(=O)(=O)NCc1cc(C(N)=O)no1 336884350 DPQKBRADGAFCGK-UHFFFAOYSA-N 301.328 -0.657 30 20 DBED CC#CCN(C)C(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1 341001268 ASEZWRWQPAAZET-UHFFFAOYSA-N 313.335 -0.862 30 20 DBED N#Cc1ccc(CNC(=O)CS(=O)(=O)c2n[nH]c(O)n2)cc1 350175191 GPNDCKXAAOTHHT-UHFFFAOYSA-N 321.318 -0.528 30 20 DBED C[C@H]1CC(=O)NCCN1CCS(=O)(=O)c1ccc(C#N)cn1 367376452 AMTZODQCZDKIPU-NSHDSACASA-N 322.390 -0.063 30 20 DBED C[C@@]1(C(=O)NCC(=O)NCC#N)Cc2ccccc2C(=O)O1 367732877 DVDRBXBYYIXGEZ-HNNXBMFYSA-N 301.302 -0.086 30 20 DBED CCC[C@@H]1C(=O)NCCN1S(=O)(=O)N(C)C[C@H](C)C#N 407951656 GDSDNYCPRIGOGT-GHMZBOCLSA-N 302.400 -0.077 30 20 DBED COC(=O)[C@H]1CN(C)CCN(S(=O)(=O)CCCC#N)C1 416590090 SHIZKQYLUGUBJZ-NSHDSACASA-N 303.384 -0.343 30 20 DBED C=CCN1CCC(NC(=O)C(=O)N2C[C@H](C)N[C@H](C)C2)CC1 419738778 ZLBUIKSDNVQGQY-BETUJISGSA-N 308.426 -0.038 30 20 DBED C=CCNC(=O)c1cccc(S(=O)(=O)NC2(C(N)=O)CC2)c1 431313705 NDVYASNGYNKCDE-UHFFFAOYSA-N 323.374 -0.101 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)CC[C@@H]2CCOC2)CC1 491126304 MUAIUKVRWRUGDX-CQSZACIVSA-N 307.394 -0.303 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2scnc2C)CC1 491126565 PVTMAJMVRMQTPB-UHFFFAOYSA-N 306.391 -0.041 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)Cc2ccnn2C)CC1 491395195 RDEZDHQSNZSPER-UHFFFAOYSA-N 317.393 -0.754 30 20 DBED C#CCNC(=O)CN1CCN(Cc2nc(C(C)C)n[nH]2)CC1 491462107 HEBJQNRNOZWFBY-UHFFFAOYSA-N 304.398 -0.205 30 20 DBED C#CCN1CCN(C(=O)CN[C@]2(CCOC)CCOC2)CC1 491778426 IZFHNIWGYCCWEY-MRXNPFEDSA-N 309.410 -0.451 30 20 DBED C[C@H](C#N)CNS(=O)(=O)c1ccc(S(C)(=O)=O)nc1 530482899 AROJNICYZAQVRW-MRVPVSSYSA-N 303.365 -0.077 30 20 DBED COC(=O)[C@@H]1C[C@@H](O)CN([C@@H](C)C(=O)NC2(C#N)CCC2)C1 592209208 WFPASEKTYTVXQF-QJPTWQEYSA-N 309.366 -0.207 30 20 DBED C[C@H](CC#N)NC(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 610291419 XCVJJCZMUGSNOM-JKKYPKHBSA-N 305.334 -0.043 30 20 DBED C[C@@H](C(=O)N(C)CCC#N)N(C)CC(=O)N1CCN(C)CC1 611522462 AUXQKSIURMDTPS-ZDUSSCGKSA-N 309.414 -0.547 30 20 DBED Cn1c(N)c(C(=O)COC(=O)C2(C#N)CCC2)c(=O)n(C)c1=O 736842171 UXKXQIPQXXBCMN-UHFFFAOYSA-N 320.305 -0.914 30 20 DBED N#Cc1cccnc1NCCNC(=O)N1CCO[C@@H](C(=O)O)C1 738434914 HANGBWPFWKILSS-LLVKDONJSA-N 319.321 -0.140 30 20 DBED COCCNC(=O)[C@@H](C#N)C(=O)COc1c(C)nn(C)c1C 758506297 CTJMAVHBWFPCAT-NSHDSACASA-N 308.338 -0.113 30 20 DBED C#C[C@H](NC(=O)NCCN1CCCS1(=O)=O)[C@H]1CCCO1 773258064 BGYPZRAAZZHGPJ-NWDGAFQWSA-N 315.395 -0.498 30 20 DBED C#CCNC(=O)CN[C@@H](C)c1ccc(S(=O)(=O)NC)cc1 775235640 UXSDJZKFUOSJOL-NSHDSACASA-N 309.391 -0.005 30 20 DBED Cc1nn(C)c(N2CCN(C(=S)NCC(N)=O)CC2)c1C#N 788284161 ZMNYLRIEJANTOU-UHFFFAOYSA-N 321.410 -0.918 30 20 DBED C#CCC[C@@H](O)CNC(=O)c1cc(S(N)(=O)=O)oc1C 803355226 OQAPDLGFNYBXCR-SECBINFHSA-N 300.336 -0.260 30 20 DBED C#C[C@@H](NC(=O)C(=O)N1CCC(C(=O)OC)CC1)[C@H]1CCCO1 809307862 DFCUWQCLUIXENU-CHWSQXEVSA-N 322.361 -0.305 30 20 DBED CNC(=O)[C@H](O)CNS(=O)(=O)c1ccc(C#N)cc1F 809838211 SPXLODJGSCJEFM-SECBINFHSA-N 301.299 -0.917 30 20 DBED C=CCNC(=O)[C@H](C)OC(=O)[C@H]1CCCN(S(N)(=O)=O)C1 815264631 WHRWNFDTDOCFRW-UWVGGRQHSA-N 319.383 -0.864 30 20 DBED Cn1nncc1CNCCS(=O)(=O)c1ccc(C#N)cn1 819315331 XBKUDUHJALRJIX-UHFFFAOYSA-N 306.351 -0.355 30 20 DBED C[C@@](C#N)(CC(=O)O)C(=O)N1CCO[C@@H](Cn2cncn2)C1 819824510 YQGQIEPQVDTSAX-MFKMUULPSA-N 307.310 -0.490 30 20 DBED CCOC(=O)C1(O)CCN(C(=O)[C@](C)(C#N)CC(=O)O)CC1 820364600 PHRRTDNEWCHQNN-ZDUSSCGKSA-N 312.322 -0.092 30 20 DBED N#CC1(CS(=O)(=O)NC(=O)c2ccn3nnnc3c2)CCC1 850961202 XAZXOUZKLRMZLL-UHFFFAOYSA-N 320.334 -0.122 30 20 DBED N#Cc1ccc(OCC(=O)NN2CCS(=O)(=O)CC2)cc1 862738606 CCYLBWCAUWAUDV-UHFFFAOYSA-N 309.347 -0.301 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)c2[nH]cnc2C)CC1 874382399 CSPOTKXGWLLHSA-UHFFFAOYSA-N 303.366 -0.385 30 20 DBED C#CC1(O)CN(S(=O)(=O)C[C@H]2COc3ccccc3O2)C1 908229609 GVLACGGGTZTVFN-LLVKDONJSA-N 309.343 -0.164 30 20 DBED COC(=O)c1c[nH]nc1S(=O)(=O)N=c1cc[nH]c(C#N)c1 912563274 VVYZGKXVTGIDKW-UHFFFAOYSA-N 307.291 -0.314 30 20 DBED CN(C)CC#CCNC(=O)c1ccc(F)c(S(N)(=O)=O)c1 913517140 URPIUWGDNDTAHO-UHFFFAOYSA-N 313.354 -0.232 30 20 DBED CN(C)CC#CCNC(=O)c1ccc(S(N)(=O)=O)s1 913517555 GLOYNGZRHWYPDA-UHFFFAOYSA-N 301.393 -0.310 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](NC(=O)c2cccn(C)c2=O)C1 938367234 WCUKTTOPQGEISA-MNOVXSKESA-N 302.334 -0.124 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CCN(C(=O)Cn3nccn3)C2)c1 939933085 XYGKYKQATGJOSI-LLVKDONJSA-N 313.321 -0.491 30 20 DBED Cn1nncc1C(=O)N[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 940226163 NFWFKOZPYJZSBA-SNVBAGLBSA-N 313.321 -0.341 30 20 DBED CO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1NC(=O)Cn1nccc1C 941824762 UYFBTSDGRVXDLD-CYZMBNFOSA-N 319.365 -0.307 30 20 DBED C#CCN1CC[C@@H](NC(=O)CN2CCN(C)C(=O)C2)[C@H](C)C1 942200237 KQSBFYJUBXZOQK-ZIAGYGMSSA-N 306.410 -0.780 30 20 DBED CN1CCC[C@H]1C(=O)NC[C@H]1CN(C(=O)C#CC2CC2)CCO1 944512986 ITMANPUWQBIXLV-GJZGRUSLSA-N 319.405 -0.162 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2CCN2C(=O)Cn2ncnn2)cc1 951439309 IYRMIPTYEWRGJT-CQSZACIVSA-N 324.344 -0.315 30 20 DBED NC(=O)c1c[nH]c(C(=O)NC[C@@H]2CCN2C(=O)C#CC2CC2)c1 951835185 GHTPIAGPDCYWLA-LBPRGKRZSA-N 314.345 -0.142 30 20 DBED Cc1nn[nH]c1C(=O)N(C)C1CN(C(=O)c2ccc(C#N)[nH]2)C1 954945190 PWOJFVPSNNRIQV-UHFFFAOYSA-N 313.321 -0.091 30 20 DBED CC(=O)N1CC[C@H](C(=O)N(C)C2CN(C(=O)C#CC3CC3)C2)C1 955003298 OWUVYGSDEWCUAW-AWEZNQCLSA-N 317.389 -0.063 30 20 DBED Cn1nc(C(F)F)cc1C(=O)NC[C@H]1CN(CC#N)C[C@@H]1O 958254417 OXLBLXLRSONLJT-KWQFWETISA-N 313.308 -0.096 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cc2ncc[nH]2)C1 958938163 GSDJWFNEDKHFJA-DCAQKATOSA-N 305.338 -0.858 30 20 DBED Cc1ccc(C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2O)nn1 962910614 VCDFLFIFSWQOKN-KGLIPLIRSA-N 314.345 -0.500 30 20 DBED Cc1nn[nH]c1C(=O)N1CCOC2(C1)CN(C(=O)[C@@H](C)C#N)C2 965434093 WJMQJQDKUVZGFA-VIFPVBQESA-N 318.337 -0.674 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(C1)CN(C(=O)[C@@H]1[C@H]3COC[C@H]31)CCO2 965460290 UNJQZVBWRJKZMZ-WUHRBBMRSA-N 319.361 -0.522 30 20 DBED C[C@H](C#N)C(=O)N1CC(N2CCN(C(=O)c3cn[nH]c3)CC2)C1 967189315 PFESWWZXTBKFGA-LLVKDONJSA-N 316.365 -0.462 30 20 DBED C#CCN1CC[C@@H](C)[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 968375297 UVPQKMLQBRGDHN-DGCLKSJQSA-N 318.377 -0.843 30 20 DBED C=CCN1CC[C@@H](C)[C@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)C1 968382816 WBVTYSJOEHCHNZ-GHMZBOCLSA-N 322.365 -0.580 30 20 DBED C#CCN1CC([C@H](C)NC(=O)c2ccc(S(N)(=O)=O)o2)C1 970048582 WDHOXQRVFUBAJK-VIFPVBQESA-N 311.363 -0.390 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@]2(CN(Cc3ncnn3C)CCO2)C1 972296488 BSQHXOWERPCFKY-WFASDCNBSA-N 318.381 -0.222 30 20 DBED CN(CC#N)[C@@H]1CCN(C(=O)CN2C(=O)NC(=O)C2(C)C)C1 972670118 IDBVECQGBNXBNJ-SNVBAGLBSA-N 307.354 -0.627 30 20 DBED C=CCN1C[C@H]2C[C@H](NC(=O)CN3CCNC(=O)C3)CC[C@H]2C1 980151177 FPDZVDJINWCTPU-RRFJBIMHSA-N 320.437 -0.179 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)C(N)=O)C1 981456595 PMXAOHVZCDNELZ-LOWDOPEQSA-N 323.393 -0.146 30 20 DBED C=CCn1cc(C(=O)N2CCCN(CC(=O)NC)CC2)nn1 982114291 ZMUVKQSFZJUCBA-UHFFFAOYSA-N 306.370 -0.642 30 20 DBED N#Cc1cc(C(=O)N[C@H]2C[C@H](CN[C@H]3CCNC3=O)C2)c[nH]1 983506061 DNUAPGPATPTJJV-GAFUQQFSSA-N 301.350 -0.127 30 20 DBED CC[C@@H]1[C@@H](NC(=O)C(N)=O)CCN1C(=O)c1ccc(C#N)[nH]1 985368773 FOQXKAOERFOWEF-GXSJLCMTSA-N 303.322 -0.519 30 20 DBED CC(C)N1C[C@H](C(=O)NC2CN(C(=O)[C@@H](C)C#N)C2)CC1=O 993778710 DXDIBGULGCHMOY-WDEREUQCSA-N 306.366 -0.270 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN(C(=O)C2=CCOCC2)C1 994750970 JSWQREYBXRRHGF-HNNXBMFYSA-N 317.389 -0.242 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)[C@H]2CCCS(=O)(=O)C2)C1 1000278124 SJJGAENHASPCIU-UWVGGRQHSA-N 313.379 -0.702 30 20 DBED COCC(=O)N1C[C@H]2C[C@@H]3CN(C(=O)[C@H](C)C#N)C[C@@]3(C1)O2 1001672608 OAAQLWVEQYKWDF-RTWAVKEYSA-N 307.350 -0.379 30 20 DBED C[C@@H](C#N)C(=O)N1CC(CNC(=O)c2cc3n(n2)CCO3)C1 1002620135 SDKQUYKVYQEBHI-VIFPVBQESA-N 303.322 -0.377 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CCN([C@@H]2CCNC2=O)CC1 1003056953 XFTVNSLATVISQT-LSDHHAIUSA-N 318.421 -0.447 30 20 DBED N#CCN1CCC(NC(=O)c2cnn3c(=O)cc[nH]c23)CC1 1003752132 OMMJIWYVFFGIAL-UHFFFAOYSA-N 300.322 -0.260 30 20 DBED C#CCCN1CCC[C@H](NC(=O)[C@H]2CN(C(C)=O)CCO2)C1 1009389934 VZZNKILNYKBQKR-LSDHHAIUSA-N 307.394 -0.162 30 20 DBED O=C1C[C@@H](CC(=O)N2CCN(C(=O)C#CC3CC3)CC2)C(=O)N1 1011107392 DYHDJFJMBVBZOY-LBPRGKRZSA-N 317.345 -0.877 30 20 DBED O=C1CC[C@H](C(=O)N2CCN(C(=O)C#CC3CC3)CC2)CN1 1011107850 SZSJBNCYVXDTCT-ZDUSSCGKSA-N 303.362 -0.403 30 20 DBED N#Cc1ccc(C(=O)N2C[C@H]3C(NC(=O)Cn4ccnc4)[C@@H]3C2)[nH]1 1013334220 ACZWUKNEVDTFMX-VXGBXAGGSA-N 324.344 -0.030 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2C(NC(=O)c3cccn(C)c3=O)[C@H]2C1 1013498139 IHUIWRMULGLUNX-USWWRNFRSA-N 314.345 -0.268 30 20 DBED N#Cc1cccc(CN[C@H]2CCN(C(=O)[C@H]3CNC(=O)N3)C2)c1 1019307582 LVUOLQRQJYENQE-UONOGXRCSA-N 313.361 -0.070 30 20 DBED C#CCCN1CC[C@@H](N(C)C(=O)Cn2ccc(=O)n(C)c2=O)C1 1033126644 NSIFWITWNPZBLD-CYBMUJFWSA-N 318.377 -0.897 30 20 DBED C#CCN1CCO[C@H](CNC(=O)[C@@H]2CCc3cnn(C)c3C2)C1 1035491506 QPADTHWRFVPACE-UKRRQHHQSA-N 316.405 -0.025 30 20 DBED N#CCN1CCO[C@@H](CNC(=O)c2cccc(C(N)=O)n2)C1 1035626753 YVQYSZJGYSWTER-JTQLQIEISA-N 303.322 -0.865 30 20 DBED C#CCN[C@@H]1CCN(C(=O)CN2C(=O)NC(=O)C2(C)C)C[C@H]1C 1036247291 MVMWQDLBWHPJDU-VXGBXAGGSA-N 320.393 -0.223 30 20 DBED C#CCCN1CC[C@@H]2CN(C(=O)CN3C(=O)CNC3=O)CC[C@H]21 1036887939 ADBAGEDEJWBIJV-CHWSQXEVSA-N 318.377 -0.516 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2[C@H]3C[C@H]2N(Cc2nnn(C)n2)C3)nc1 1037689596 KLIOJOURXQJIKA-LNSITVRQSA-N 323.360 -0.411 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2CCN2Cc2nncn2C)nn1 1038782006 KCGYFHFWPUZJEM-LLVKDONJSA-N 316.369 -0.403 30 20 DBED CC(C)C#CC(=O)NC[C@]1(O)CCN(C(=O)Cn2cccn2)C1 1039664397 PJAGSTSEMNQHSX-MRXNPFEDSA-N 318.377 -0.378 30 20 DBED C[C@H]1[C@@H](Nc2ccc(C#N)nn2)CCN1C(=O)c1nnn(C)n1 1040217912 LEFLGELKYQTCDQ-WPRPVWTQSA-N 313.325 -0.413 30 20 DBED C=CCCOCC(=O)N1CC(O)(CNC(=O)c2cnn(C)c2)C1 1041416372 SRPYOMPDZXKHHH-UHFFFAOYSA-N 322.365 -0.684 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2ccoc2)C1 1041460963 XNXCUGBLOGSERM-NSHDSACASA-N 306.318 -0.379 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)C(=O)NCC2CC2)C1 1041960216 INAKDHTXWWVDMN-UHFFFAOYSA-N 309.366 -0.832 30 20 DBED C[C@H]1OCCC[C@@H]1C(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1042809232 JCUPPLXUZOUROW-OCCSQVGLSA-N 320.389 -0.096 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(O)CN(C(=O)c2cccn2C)C1 1042809565 NRIIGYLBPNTQCK-OAHLLOKOSA-N 321.377 -0.345 30 20 DBED Cn1cc(C(=O)N2CC(O)(CNC(=O)C#CC(C)(C)C)C2)nn1 1042966202 RFJIJCGTXAPQSS-UHFFFAOYSA-N 319.365 -0.832 30 20 DBED CC#CCN1CC(N(C)C(=O)[C@H]2C[C@H](OC)CN2C(C)=O)C1 1043484499 ZVFCGHGYFFWHFJ-LSDHHAIUSA-N 307.394 -0.212 30 20 DBED C=CCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCC(=O)N2)C1 1044265820 RKPAOBLWDDBYMH-NSHDSACASA-N 309.366 -0.689 30 20 DBED Cc1n[nH]c(C)c1C(=O)NCC1(O)CN(C(=O)[C@@H](C)C#N)C1 1044720570 QREYRMPVQKAMHZ-QMMMGPOBSA-N 305.338 -0.511 30 20 DBED C=CCOCC(=O)N(C)[C@H]1CN(C(=O)c2cc[nH]c2)C[C@@H]1O 1048558588 SDXNNERGYSDMSP-STQMWFEESA-N 307.350 -0.139 30 20 DBED C=CCN1C[C@H]2CN(C(=O)Cn3nc(C)n(C)c3=O)C[C@H]2C1 1049197938 XMYUXJOIKOEKJH-BETUJISGSA-N 305.382 -0.534 30 20 DBED C=C(C)CCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2nnn(C)n2)C1 1049229774 LHGVBDGASGSFMO-QWRGUYRKSA-N 322.369 -0.790 30 20 DBED Cc1ccn(CC(=O)N2C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)C#N)C2)n1 1049402835 YZQQHZKQRPVRDN-WXHSDQCUSA-N 319.365 -0.619 30 20 DBED C=CCOCC(=O)N1CC[C@H]([C@@H](C)NC(=O)CNC(C)=O)C1 1050296713 HVPFICWWVICHSQ-YPMHNXCESA-N 311.382 -0.322 30 20 DBED C=CCOCC(=O)N1CC[C@H]([C@@H](C)NC(=O)Cc2nc[nH]n2)C1 1050306323 WNQIETFYCJKXAO-NEPJUHHUSA-N 321.381 -0.097 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccnn1C 1051045253 UAHISLKWUFUEBI-MGPQQGTHSA-N 302.378 -0.026 30 20 DBED C=CCN1CCOC[C@@H]1CNC(=O)c1cnc(O)n(C)c1=O 1051060254 GGUFOYWOSHUEOD-JTQLQIEISA-N 308.338 -0.898 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@@H]([C@@H](C)NC(=O)C(N)=O)C2)nc1 1051301362 ACAAVMHBWVSMHJ-ZYHUDNBSSA-N 314.345 -0.485 30 20 DBED N#Cc1ccc(C(=O)N2CCO[C@@H](CN[C@H]3CCNC3=O)C2)[nH]1 1051554658 IAMKAYHFALMPIZ-RYUDHWBXSA-N 317.349 -0.795 30 20 DBED C#CCOCCC(=O)NC[C@H]1CN(C(=O)CNC(C)=O)C[C@H]1C 1051852930 ZPSZIGWCXAKKMM-OCCSQVGLSA-N 323.393 -0.627 30 20 DBED C#CCN1CCN([C@H]2CCN(C(=O)c3ccc(O)nn3)C2)CC1 1051976526 FKVWWWNDMYTYSG-ZDUSSCGKSA-N 315.377 -0.353 30 20 DBED Cc1cncn1CC(=O)N1CC[C@H](N2CCN(CC#N)CC2)C1 1052052641 SLEWKEKIHXNODC-HNNXBMFYSA-N 316.409 -0.066 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)Cn2cncn2)C[C@H]1C 1053477640 DFBKRMREGSVJMY-OLZOCXBDSA-N 321.381 -0.309 30 20 DBED CC#CCN1CC2(CC[C@H](CNC(=O)[C@H]3CN(C)C(=O)N3)O2)C1 1053642954 QAWRRHLGNNKNLH-CHWSQXEVSA-N 320.393 -0.617 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)[C@@H]3CCS(=O)(=O)C3)CO2)C1 1053864877 LXMPKWGMYMJDJS-VXGBXAGGSA-N 312.391 -0.986 30 20 DBED C=CCN1CC2(C[C@H](NC(=O)[C@H]3CN(CC)CCO3)CO2)C1 1054013931 DPNWQGBGBCNBNJ-UONOGXRCSA-N 309.410 -0.147 30 20 DBED N#CCN1CC[C@]2(CCCN(C(=O)CN3CCOCC3=O)C2)C1 1054146612 NUCUSXPDODZFNH-MRXNPFEDSA-N 320.393 -0.317 30 20 DBED O=C(N[C@]1(CO)CCCN(C(=O)C#CC2CC2)C1)c1cnn[nH]1 1056005829 SEWGAKXVFKKOIU-OAHLLOKOSA-N 317.349 -0.699 30 20 DBED C#CCC1(C(=O)N2CCC[C@](CO)(NC(=O)C(N)=O)C2)CCC1 1056088101 AMUZXLGIYFLWDD-INIZCTEOSA-N 321.377 -0.865 30 20 DBED Cn1cc(C(=O)NC2[C@H]3CN(c4ccnc(C#N)n4)C[C@H]23)nn1 1056199221 UOEPHGVLQOPOHK-IUCAKERBSA-N 310.321 -0.659 30 20 DBED Cn1cncc1C(=O)NC1[C@H]2CN(c3cnc(C#N)cn3)C[C@H]12 1056334688 ALXLFVCDVQUGEJ-QWRGUYRKSA-N 309.333 -0.054 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)CCn1cccn1 1057013658 VAXCCOVWGXELDR-UHFFFAOYSA-N 324.381 -0.587 30 20 DBED CC(C)(C)C#CC(=O)N(CCO)CCNC(=O)Cc1ncc[nH]1 1057537928 PPQCJWVDZHIPMZ-UHFFFAOYSA-N 320.393 -0.061 30 20 DBED C#CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)c1ccc[nH]1 1057582831 AEZMYNCSSCBUDO-LBPRGKRZSA-N 307.350 -0.396 30 20 DBED N#Cc1nc(=N[C@H]2CCCN(C(=O)[C@@H]3COCCO3)C2)cc[nH]1 1057589824 MCDGRVWKHWKGQS-RYUDHWBXSA-N 317.349 -0.412 30 20 DBED N#Cc1cncc(N[C@H]2CCCN(C(=O)[C@H]3COC(=O)N3)C2)n1 1057631096 JKIOEBPRGZMRDD-GXSJLCMTSA-N 316.321 -0.140 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)c1cc(=O)n(C)cn1 1057964451 PENKCCLSIYHUPJ-UHFFFAOYSA-N 322.365 -0.703 30 20 DBED N#Cc1cncc(N2CCC[C@H](NC(=O)[C@@H]3CCC(=O)N3)C2)n1 1058180354 IKMSIPTYKVRCNG-JQWIXIFHSA-N 314.349 -0.288 30 20 DBED N#Cc1cncc(N2CC[C@H](NC(=O)c3ccc(O)nn3)C2)n1 1058288472 DBJKRPDIJAKRTE-VIFPVBQESA-N 311.305 -0.147 30 20 DBED N#Cc1nccc(N2C[C@@H]3CC[C@H](C2)N3C(=O)Cn2cncn2)n1 1058758960 CUTWWVPLYQAIOH-TXEJJXNPSA-N 324.348 -0.180 30 20 DBED N#Cc1ccc(N[C@H]2CCN(C(=O)[C@H]3COCCO3)C2)nn1 1058846368 RBCYKNVZROJQRF-NWDGAFQWSA-N 303.322 -0.224 30 20 DBED N#Cc1cnc(NC[C@@H]2CCCN(C(=O)CC(N)=O)C2)cn1 1060010367 ZKASZGFGAWIXBV-JTQLQIEISA-N 302.338 -0.126 30 20 DBED N#Cc1ccc(N2CCC[C@@H]2CNC(=O)[C@H]2CNC(=O)N2)nn1 1061441027 NDMXEKLHPPKAMW-GHMZBOCLSA-N 315.337 -0.885 30 20 DBED N#Cc1cncc(N2CC[C@@H](CNC(=O)[C@@H]3COCCO3)C2)n1 1061524466 FBPPFXDTNHFASJ-AAEUAGOBSA-N 317.349 -0.294 30 20 DBED C=CCOCC(=O)NC1(CNC(=O)CCNC(N)=O)CCC1 1063002429 BODJJXFNVMBRMX-UHFFFAOYSA-N 312.370 -0.598 30 20 DBED C[C@@H]1CN(C(=O)CC(N)=O)CC[C@@H]1N=c1cc[nH]cc1C#N 1063713908 QLSRJWMEWREZPC-PWSUYJOCSA-N 301.350 -0.101 30 20 DBED C#CCO[C@H](C)C(=O)NC1(CNC(=O)Cn2cncn2)CCC1 1064596051 WQYXKLOZVBMKMF-GFCCVEGCSA-N 319.365 -0.529 30 20 DBED N#Cc1cnc(N2CC[C@H]3CCN(C(=O)C(N)=O)C[C@@H]32)cn1 1064698398 CBLWXTVSDLHOAR-KOLCDFICSA-N 300.322 -0.739 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(C(=O)[C@@H]2CCOC2)CCO1 1064935661 VVCVSFXRSVGVOA-KGLIPLIRSA-N 306.362 -0.220 30 20 DBED C#CCCCC(=O)N1CCO[C@@H](CNC(=O)CC(=O)NCC)C1 1065093123 RJLMAKYLHZQEKS-ZDUSSCGKSA-N 323.393 -0.340 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CN(C(=O)CCCC(N)=O)CCO1 1065305695 RZSVKMPHMXMDHB-QWRGUYRKSA-N 310.354 -0.855 30 20 DBED C=C(C)CCC(=O)NC[C@@H]1CN(C(=O)C2(C(N)=O)CC2)CCO1 1065543870 HKCOTLJVPOSMJD-GFCCVEGCSA-N 323.393 -0.048 30 20 DBED C=CCO[C@H](C)C(=O)N[C@H]1CCCN(C(=O)CC(N)=O)CC1 1066267974 QYHDRAMHOYISBX-NEPJUHHUSA-N 311.382 -0.050 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H](CNc2nccn3nnnc23)C1 1066601714 DOYPZAYNYNBUEV-UWVGGRQHSA-N 316.325 -0.682 30 20 DBED Cc1cc(C#N)nc(N[C@@H](C)[C@H]2CN(C(=O)C(N)=O)CCO2)n1 1068244245 SUKVNZRVHWTGLH-GXSJLCMTSA-N 318.337 -0.830 30 20 DBED N#Cc1nc(=NC[C@H]2CC[C@@H](NC(=O)c3nc[nH]n3)C2)cc[nH]1 1069481831 XSXNJHXLPHHPGE-VHSXEESVSA-N 312.337 -0.101 30 20 DBED C#CCCCC(=O)N1CCC[C@@H](NC(=O)[C@H]2CN(C)C(=O)N2)C1 1070668884 OJCUBZOPZHYRIQ-CHWSQXEVSA-N 320.393 -0.079 30 20 DBED N#CCN1C[C@H]2C[C@H]3CN(C(=O)CCc4cnn[nH]4)C[C@@]3(C1)O2 1070857451 TYCSJYIVMFLYGZ-NJZAAPMLSA-N 316.365 -0.437 30 20 DBED CN1CC[C@@H](C(=O)N2CCC[C@@H](NC(=O)C#CC3CC3)C2)C1=O 1071124150 DVAPAMXPPNXNHK-ZIAGYGMSSA-N 317.389 -0.015 30 20 DBED C#CCN1CC[C@]2(C1)CN(C(=O)c1nccnc1N)C[C@@H](C)O2 1071147080 OCWHAUZBVPOAJX-WBMJQRKESA-N 315.377 -0.003 30 20 DBED C=CCOCC(=O)N1C[C@@H](C)[C@@H](NC(=O)Cc2n[nH]c(C)n2)C1 1071808645 JTXNHXLOSNVRKF-PWSUYJOCSA-N 321.381 -0.179 30 20 DBED C=CCOCC(=O)N1C[C@@H](NC(=O)C2(NC(N)=O)CC2)[C@H](C)C1 1071809307 SKXLIBDFBBNDHB-GHMZBOCLSA-N 324.381 -0.647 30 20 DBED C=CCCOCC(=O)N1C[C@@H](NC(=O)c2ncn(C)n2)[C@H](C)C1 1072333344 MRWUBUYVBMHDCV-VXGBXAGGSA-N 321.381 -0.016 30 20 DBED C=CCCC(=O)N[C@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@H]1C 1072516621 XFDJYPGNBOYYOJ-MNOVXSKESA-N 322.365 -0.533 30 20 DBED C=CCOCC(=O)NC1(C)CCN(C(=O)[C@H]2CCNC2=O)CC1 1073182000 IRFTXHNJRCIGMI-LBPRGKRZSA-N 323.393 -0.178 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)c2cncc(OC)n2)C1 1073804352 JNVSIPYQHQPBAC-LBPRGKRZSA-N 304.350 -0.061 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(C(=O)Cn2cncn2)C[C@H]1C 1073817245 LZHPEMVVXUCZIF-CHWSQXEVSA-N 321.381 -0.166 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)c3cc(C(N)=O)co3)C[C@H]21 1074338444 LOZTUGTYWQYHRY-OLZOCXBDSA-N 317.345 -0.073 30 20 DBED C#CCC1(C(=O)N2CCC(O)(CNC(=O)C(N)=O)CC2)CCC1 1074611092 MVDLZCSKSNWWNV-UHFFFAOYSA-N 321.377 -0.865 30 20 DBED CC1(C)CC(=O)N(CC(=O)N2CC[C@H]3CN(CC#N)C[C@H]32)C1=O 1075795498 VPCMZLLNJRLSPA-NWDGAFQWSA-N 318.377 -0.172 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3ccnn3)cc2)C1 1077991298 NEVHCDUWRSOROU-HUUCEWRRSA-N 311.345 -0.325 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)c2cc(C(N)=O)ccn2)C1 1078298301 CFDVVJFPVWMVQK-VXGBXAGGSA-N 324.768 -0.292 30 20 DBED C#CCOCCC(=O)N(C)[C@H]1CCCN(C(=O)C(N)=O)CC1 1078960319 TWOGIEWUTNPYHL-LBPRGKRZSA-N 309.366 -0.649 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)CC(=O)NC)C1 1079661354 BNQWMHQFHQRSEU-NSHDSACASA-N 309.366 -0.780 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(N(CC)C(=O)[C@@H]2CNC(=O)N2)C1 1080385148 HULWENPZCWLCQS-NHYWBVRUSA-N 324.381 -0.946 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)c2ncccn2)C[C@H]1O 1081438390 BWIZVHSRNISANV-QWHCGFSZSA-N 316.361 -0.171 30 20 DBED Cc1cc(C(=O)N2C[C@H](O)[C@H](CNC(=O)C#CC3CC3)C2)no1 1081468819 OTTSROZLQRMNHI-OCCSQVGLSA-N 317.345 -0.054 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(C(=O)c2cocn2)C[C@@H]1O 1081488259 GDIUECLLFZDVJI-YPMHNXCESA-N 321.333 -0.736 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CN(C(C)C)CCO1 1083174806 ZJXOOMJTYQVTKD-XHSDSOJGSA-N 321.421 -0.360 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)c2n[nH]c(C)c2O)C1 1083410005 QBICRVUQHAWXKC-BDAKNGLRSA-N 300.746 -0.049 30 20 DBED CC(C)C(=O)N1CCCC[C@H]1C(=O)N[C@@H]1CN(CC#N)C[C@@H]1O 1084085319 RANPEPVBGAHKPC-RDBSUJKOSA-N 322.409 -0.292 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H]1CCN1Cc1nnn(C)n1 1085823150 BDQGIYFDUOWJGA-UPJWGTAASA-N 320.397 -0.166 30 20 DBED C=CCn1cc(C(=O)N(C)C[C@@H]2CCN2[C@@H](CC)C(N)=O)nn1 1085861488 ZKAUGFBHLODEOG-AAEUAGOBSA-N 320.397 -0.126 30 20 DBED C[C@@H]1CC2(CCN(CC#N)CC2)CN1C(=O)Cn1ncnn1 1086921796 AYWNDQNPPSMALH-GFCCVEGCSA-N 303.370 -0.100 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2ccc3nn[nH]c3n2)[C@@H](O)C1 1090312620 KQPQLZVDKJWLNP-GWCFXTLKSA-N 314.349 -0.459 30 20 DBED CC(C)(C)OCC(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1O 1090407046 PUHQBQRSHJCUTD-VXGBXAGGSA-N 319.365 -0.171 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)C2CC(=O)NC(=O)C2)[C@@H](O)C1 1090636515 BBQQVFFMMXPRSK-RYUDHWBXSA-N 309.366 -0.833 30 20 DBED C[C@@H]1CN(c2nccnc2C#N)C[C@H]1NC(=O)CCNC(N)=O 1090711443 RSAATKGFNAMWOW-MWLCHTKSSA-N 317.353 -0.652 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2cccn(C)c2=O)[C@H](O)C1 1090738458 ZBDUDNVWUUCHRG-UONOGXRCSA-N 303.362 -0.426 30 20 DBED C#CCCN1CC[C@@H](NC(=O)C2CCN(C(C)=O)CC2)[C@H](O)C1 1090797064 SZBRJIWAMDSIIZ-HZPDHXFCSA-N 321.421 -0.180 30 20 DBED C=CCCN1CC[C@@H](NC(=O)c2cn(C)c(=O)nc2O)[C@@H](O)C1 1090805668 PIKOIROXJUBZAZ-NEPJUHHUSA-N 322.365 -0.773 30 20 DBED C#CCN1C[C@@H](C)[C@H](CNC(=O)[C@@H]2CCc3nnnn3CC2)C1 1092983105 FYFIFGAPVYJDGZ-MGPQQGTHSA-N 316.409 -0.057 30 20 DBED CCC(=O)NCC(=O)N1CCN(c2ccnc(C#N)n2)CC1 1093149863 HSDGLGZFMXKDDH-UHFFFAOYSA-N 302.338 -0.477 30 20 DBED N#Cc1cnc(N2CCN(C(=O)CCCC(N)=O)CC2)cn1 1093162001 KRTLHLNPIZCQPL-UHFFFAOYSA-N 302.338 -0.348 30 20 DBED CO[C@@H](C(=O)NCCN=c1cc[nH]cc1C#N)[C@H]1CCOC1 1094011298 DKCMLFRGEHWZJM-SMDDNHRTSA-N 304.350 -0.045 30 20 DBED C=C(C)CN1CC(n2cc(CNC(=O)c3cn(C)nn3)nn2)C1 1094288441 OLTWHNCVNYQOSE-UHFFFAOYSA-N 316.369 -0.231 30 20 DBED N#Cc1cc(C(=O)N2C[C@H]3C[C@@H](NCC(N)=O)C[C@H]2C3)c[nH]1 1094897564 JGKTYCUWLKCECH-UFGOTCBOSA-N 301.350 -0.046 30 20 DBED Cn1cc(C(=O)NCCCN=c2cc[nH]cc2C#N)ncc1=O 1094903127 MGOZQRDZAWQEQD-UHFFFAOYSA-N 312.333 -0.299 30 20 DBED CCN(CCCNC(=O)[C@H](C)NC(N)=O)c1ccc(C#N)nn1 1095866263 RVLQTOAWFHIQIU-JTQLQIEISA-N 319.369 -0.262 30 20 DBED CCc1nc(C#N)cc(N[C@@H](C)CNC(=O)CNC(C)=O)n1 1097685932 WWPWLOYVBHQPNN-VIFPVBQESA-N 304.354 -0.037 30 20 DBED CNC(=O)NCCC(=O)NC[C@@H](C)Nc1cnc(C#N)cn1 1097805164 BKJKOMMMUKDBDL-SECBINFHSA-N 305.342 -0.416 30 20 DBED C[C@H](CNC(=O)[C@H]1C[C@H]1C(=O)N(C)C)Nc1nccnc1C#N 1098269646 OVQRUJJGPGGTNX-OUAUKWLOSA-N 316.365 -0.011 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)CCCC(C)=O)[C@@H](O)C1 1099673651 ZIJLEKORXWABQW-CABCVRRESA-N 310.394 -0.053 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCN(Cc2cnon2)C[C@@H]1O 1099836403 ZHIUFYHWQKLOHM-OLZOCXBDSA-N 308.338 -0.839 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1CCN(CCN2CCNC2=O)C[C@H]1O 1099960683 XLVWBWGZUPQEGR-CHWSQXEVSA-N 324.425 -0.225 30 20 DBED CN(CCNC(=O)C[C@@H]1CCCC(=O)N1)c1nccnc1C#N 1100412148 MSSSGEZSYMVRAQ-NSHDSACASA-N 316.365 -0.041 30 20 DBED CCN(CCNC(=O)[C@H]1CN(C)CCO1)c1cncc(C#N)n1 1100495833 HPIIWLAGTYNSSX-CYBMUJFWSA-N 318.381 -0.379 30 20 DBED N#CCNC(=O)CNC1CC(CNC(=O)COCC(F)F)C1 1100534194 SMBOTDAHSVJSEN-UHFFFAOYSA-N 318.324 -0.608 30 20 DBED N#Cc1cccnc1N1CC[C@@H](CNC(=O)CCNC(N)=O)C1 1100980193 MHDXIGNRZNXLIU-NSHDSACASA-N 316.365 -0.046 30 20 DBED CCCN(CCNC(=O)Cn1ncnn1)c1cncc(C#N)n1 1101192301 RAJWHUHKMZZSGZ-UHFFFAOYSA-N 315.341 -0.632 30 20 DBED CC(=O)N[C@H](C)C(=O)NCCN(c1cncc(C#N)n1)C1CC1 1101275162 OVLPYYAASBLROA-SNVBAGLBSA-N 316.365 -0.042 30 20 DBED CN(CCNc1nccn2nnnc12)C(=O)CSCC#N 1101514691 MMSVBUYHUPNCPK-UHFFFAOYSA-N 306.355 -0.354 30 20 DBED C=CCCN1C[C@@H](C)[C@H](CNC(=O)C[C@@H]2NC(=O)NC2=O)C1 1102057588 UVWMBWQIHDCDCP-UTUOFQBUSA-N 308.382 -0.155 30 20 DBED C[C@H](CNc1nccnc1C#N)N(C)C(=O)c1nnn(C)n1 1104765049 WGNDQMNGZFORTO-MRVPVSSYSA-N 301.314 -0.556 30 20 DBED C[C@H](CNc1ccc(C#N)nn1)N(C)C(=O)C1(C(N)=O)CC1 1104792621 CTVPTLWFFZYKNH-SECBINFHSA-N 302.338 -0.127 30 20 DBED CC(=O)NCC(=O)N[C@H](CN=c1cc[nH]c(C#N)n1)CC(C)C 1104890608 CUSZYWQLTULTSL-LBPRGKRZSA-N 318.381 -0.151 30 20 DBED COC[C@@H](C)NCc1cn(C2CN(C(=O)[C@H](C)C#N)C2)nn1 1105189930 NXYRVSBAGXVYNR-GHMZBOCLSA-N 306.370 -0.054 30 20 DBED CN(CCN(C)c1ccnc(C#N)n1)C(=O)[C@@]1(C)CNC(=O)C1 1105510877 UBTBVICEXLLALP-OAHLLOKOSA-N 316.365 -0.231 30 20 DBED Cc1cc(C#N)nc(NC[C@H](O)CNC(=O)c2cocn2)n1 1105751459 IFDMHCPTUPTDOF-SNVBAGLBSA-N 302.294 -0.153 30 20 DBED Cn1ccc(C(=O)NC[C@H](O)CNc2cnc(C#N)cn2)c1 1105793079 WKSLGURHBKESMZ-GFCCVEGCSA-N 300.322 -0.110 30 20 DBED COCC[C@@H](C)C(=O)NC[C@H](O)CNc1cnc(C#N)cn1 1105860511 XKQKURACWPAVPP-ZYHUDNBSSA-N 307.354 -0.090 30 20 DBED Cn1oc(C(=O)NC/C=C/CN=c2cc[nH]c(C#N)n2)cc1=O 1107170949 XSNLXWQTLWNIPN-NSCUHMNNSA-N 314.305 -0.540 30 20 DBED Cc1ccn(CC(=O)NCc2cn(C3CN(CC#N)C3)nn2)n1 1107212040 LKYQNKQCDOXLGX-UHFFFAOYSA-N 314.353 -0.520 30 20 DBED C[C@H](C(=O)NC/C=C\CNc1cnc(C#N)cn1)S(C)(=O)=O 1107576587 OFCGZTJGHIAETA-UMBAGQNISA-N 323.378 -0.134 30 20 DBED COc1ncc(C(=O)N[C@H](C)CN=c2cc[nH]c(C#N)n2)cn1 1107911445 KTCCKXADRLXEFU-SECBINFHSA-N 313.321 -0.201 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)C[C@@H]1CCCC(=O)N1 1108209868 DYAUVJHYTKYPJY-MNOVXSKESA-N 316.365 -0.254 30 20 DBED CC#CCN1CCO[C@@](C)(CNC(=O)CCc2cnn[nH]2)C1 1108225325 UXNSUHMCVZLVRN-HNNXBMFYSA-N 305.382 -0.032 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)CCCS(C)(=O)=O)C1 1108274560 IDHCQRMHUBIEAO-CQSZACIVSA-N 316.423 -0.349 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NC(N)=O 1109213879 VQAFQCNVIFKORO-DZHLUBAWSA-N 324.381 -0.770 30 20 DBED CN(CCCN=c1cc[nH]c(C#N)n1)C(=O)[C@]1(C)CCC(=O)N1 1109607918 YMUBOPGNEOZFET-HNNXBMFYSA-N 316.365 -0.301 30 20 DBED CS(=O)(=O)CC(=O)N[C@@H]1[C@H]2C[C@H]1N(c1cncc(C#N)n1)C2 1109692709 CSKRZPFFGICJQO-IYYTYJHQSA-N 321.362 -0.914 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H]1CCCO1 1110255081 OHNCVANAUITVID-YIYPIFLZSA-N 305.378 -0.364 30 20 DBED N#Cc1nccnc1NC1(CNC(=O)[C@@H]2CCCNC2=O)CC1 1110257485 WCKHRCHMBYIORC-SNVBAGLBSA-N 314.349 -0.065 30 20 DBED Cn1cnn(CCC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC#N)c1=O 1110854667 QZILQYVPUMGLJD-UTUOFQBUSA-N 304.354 -0.783 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H]1CN(C)C(=O)N1 1110890658 CGRZDSVMVSEFKV-MQYQWHSLSA-N 320.393 -0.619 30 20 DBED CNC(=O)CC(=O)N1C[C@@H](C)[C@@H](CNc2ccc(C#N)nn2)C1 1111243944 REUKRLVCEVTPJX-MNOVXSKESA-N 316.365 -0.009 30 20 DBED COCC#CCN1C[C@@H]2CCC[C@]2(NC(=O)Cn2ncnn2)C1 1111751402 USMDJHHPSJGBQH-ZFWWWQNUSA-N 318.381 -0.706 30 20 DBED CO[C@H](C)C(=O)N1C[C@@H]2CCC[C@]2(CNCC(=O)NCC#N)C1 1112274531 KLWLKARFWDAERT-WWGRRREGSA-N 322.409 -0.121 30 20 DBED C#CCNC(=O)CC(=O)N1CCN(Cc2ocnc2C)CC1 1112777649 GWSCKSWVDLACAO-UHFFFAOYSA-N 304.350 -0.233 30 20 DBED CNC(=O)CC(=O)N1CCC[C@@H]1CN(C)c1ccc(C#N)nn1 1112790699 NJNISHPOAZYYID-GFCCVEGCSA-N 316.365 -0.088 30 20 DBED COCCOCC(=O)NC[C@H](C)N(C)c1nccnc1C#N 1113538811 CMEBFTPIEQTJOU-NSHDSACASA-N 307.354 -0.048 30 20 DBED CC(=O)NCC(=O)N[C@H]1CN(c2ccnc(C#N)n2)CC[C@H]1C 1113994027 ICKQOLAUDILSKI-PWSUYJOCSA-N 316.365 -0.185 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3coc(C)n3)[C@H]2C1 1114173767 HNEFBQAVRJXMCI-YABSGUDNSA-N 302.334 -0.608 30 20 DBED O=C(C#CC1CC1)NC1[C@@H]2CN(C[C@H]3CCS(=O)(=O)C3)C[C@@H]12 1114253940 XAWKNIZOYNPBPM-MGPQQGTHSA-N 322.430 -0.119 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)c3cccnn3)[C@H]2C1 1115007980 SGTGHTAAKMSTNF-NMKXLXIOSA-N 313.361 -0.726 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@@]3(C)CCCOC3)[C@H]2C1 1115022678 GBYYSIDNZGFTKY-SHFYGJNESA-N 319.405 -0.401 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)C[C@H]3CCN(C)C3)[C@H]2C1 1115128406 LFFTYSGVDOZSCT-WVZRYYJFSA-N 320.437 -0.323 30 20 DBED C[C@@H](CN(C)C(=O)[C@@H]1COC(=O)N1)N=c1cc[nH]c(C#N)n1 1115703034 QUALZMMIULNFGY-IUCAKERBSA-N 304.310 -0.863 30 20 DBED C#CCSCCNC(=O)C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 1117454769 BPOPWLUAOZYZSI-SNVBAGLBSA-N 309.391 -0.652 30 20 DBED CC(=O)NCC(=O)NC[C@H](CO)Nc1cccc(F)c1C#N 1121127560 CMIXUAUQPWTSOS-SNVBAGLBSA-N 308.313 -0.278 30 20 DBED C[C@@H](C(=O)NC[C@@H](CO)Nc1ccc(C#N)nn1)n1cccn1 1121214281 YCBJOPPBWVNJKX-JQWIXIFHSA-N 315.337 -0.305 30 20 DBED N#Cc1nc(=N[C@@H](CO)CNC(=O)c2cccc(O)n2)cc[nH]1 1121427417 WQDVXGFZKSIMML-SECBINFHSA-N 314.305 -0.926 30 20 DBED N#Cc1cnc(N[C@@H](CO)CNC(=O)[C@H]2CCCCO2)cn1 1121453848 FOOKFFJFLUDQCT-VXGBXAGGSA-N 305.338 -0.194 30 20 DBED CC(C)C#CC(=O)NC[C@H](CO)Nc1ncnc2[nH]cnc12 1121521335 XMZNZOCNQNZCEN-SNVBAGLBSA-N 302.338 -0.099 30 20 DBED CN1CC[C@@H](C(=O)NC[C@@H](CO)Nc2nccnc2C#N)C1 1121592110 YMYIYQQZGXMNCL-MNOVXSKESA-N 304.354 -0.811 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H](CO)CNC(=O)CCc1ccon1 1122235774 SYNOSEBNMFXHMZ-CYBMUJFWSA-N 315.333 -0.115 30 20 DBED CN(C[C@H](O)CNc1nccnc1C#N)C(=O)[C@H]1CCCO1 1124065905 PCGBOOWVPJUBQF-ZYHUDNBSSA-N 305.338 -0.242 30 20 DBED CN(C[C@@H](O)CNc1cnc(C#N)cn1)C(=O)c1cnns1 1124092249 XTCKCIZQMWLPFX-VIFPVBQESA-N 319.350 -0.255 30 20 DBED CN(C)CCCC(=O)N(C)C[C@@H](O)CNc1cnc(C#N)cn1 1124683769 PQFFAPLPCPQVAP-ZDUSSCGKSA-N 320.397 -0.079 30 20 DBED COCCS(=O)(=O)CCCNCCNC(=O)C#CC(C)C 1126823236 SGZAHMVIQRCISM-UHFFFAOYSA-N 318.439 -0.197 30 20 DBED CN(CCOCCNc1ccc(C#N)nn1)C(=O)c1nc[nH]n1 1127364542 QZRQSCVGRVCENP-UHFFFAOYSA-N 316.325 -0.333 30 20 DBED C#CCNCc1nnc2n1CC[C@@H](NC(=O)c1cnn[nH]1)CC2 1128006740 WXQLDIKAUMXQMW-JTQLQIEISA-N 314.353 -0.746 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1ccnn1CC(C)C 1128455364 GAXYUMYAKSNVII-UHFFFAOYSA-N 305.382 -0.392 30 20 DBED C=CCCN[C@@H]1CN(C(=O)[C@H]2COC(=O)N2)C[C@@H]1n1ccnn1 1129795958 VVVAPBYADJADJP-UTUOFQBUSA-N 320.353 -0.696 30 20 DBED C=C(C)CCC(=O)N1C[C@H](n2ccnn2)[C@H](N[C@@H](C)C(N)=O)C1 1129878823 HKTAJYHGFXSFTJ-XQQFMLRXSA-N 320.397 -0.150 30 20 DBED C#CCN1CCOC[C@H]1c1n[nH]c(CNC(=O)[C@H](C)OCC)n1 1130832460 XEHWVKVJYMVRHT-RYUDHWBXSA-N 321.381 -0.148 30 20 DBED C#CCN1C[C@@H]2OC(=O)N([C@H]3CCN(C(=O)CCOC)C3)[C@@H]2C1 1131294269 HQQZJFGEGHXJKR-MJBXVCDLSA-N 321.377 -0.238 30 20 DBED Cc1ncc(C(=O)N[C@H]2CC[C@H](C)N(CC(=O)NCC#N)C2)[nH]1 1131891586 HZGFRSATUOECIF-JQWIXIFHSA-N 318.381 -0.059 30 20 DBED COCC(=O)NCCC(=O)N1CC[C@H](C)[C@H](CNCC#N)C1 1132875512 ZMAJTOQLUBOZIT-QWHCGFSZSA-N 310.398 -0.263 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)c2cnon2)CC[C@@H]1C 1133182978 WHYXKCCUWRFMTK-NWDGAFQWSA-N 319.365 -0.493 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)CC[C@H]1C 1133307163 VNIGWOZJZDQEIJ-CHWSQXEVSA-N 320.393 -0.364 30 20 DBED CCNC(=O)CC(=O)N[C@H](C)C[C@@H](C)NCC(=O)NCC#N 1134142770 GRAZENGJXAKUCX-GHMZBOCLSA-N 311.386 -0.975 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@H](C)Cc1cnc[nH]1 1135071115 AOHIHEOOVNYRJF-NEPJUHHUSA-N 305.382 -0.568 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1cccc(OC)n1 1146364304 NEQQANDAIJTGJC-NSHDSACASA-N 304.350 -0.453 30 20 DBED C#Cc1ccc(C(=O)NCCNCCNS(=O)(=O)CC)cn1 1148389342 INUIJWGVIZXTRE-UHFFFAOYSA-N 324.406 -0.678 30 20 DBED C=C(C)CCN1CCCO[C@@H](CNC(=O)Cn2cnnn2)C1 1149144450 QLKBQELDSVHDMS-ZDUSSCGKSA-N 308.386 -0.154 30 20 DBED COCC#CCN1CCCO[C@@H](CNC(=O)Cn2ccnc2)C1 1150825416 SJHYXKZQUCPJNR-HNNXBMFYSA-N 320.393 -0.260 30 20 DBED C#CCN(CC)[C@H](C)CNC(=O)[C@@H]1CCN(C)S1(=O)=O 1155752084 XRYZANZMQLGXCC-NEPJUHHUSA-N 301.412 -0.520 30 20 DBED C#CCNC(=O)CC(=O)NCCCN[C@H](C)c1n[nH]c(CC)n1 1156848114 SCLOEZJCXASCBW-LLVKDONJSA-N 320.397 -0.337 30 20 DBED COCC(=O)NCCC(=O)N1CCCC[C@@H]1CN(C)CC#N 1158035881 OBWGDEHVVGVERZ-CYBMUJFWSA-N 310.398 -0.024 30 20 DBED COCC#CCNCCCNC(=O)c1ccnn1CCOC 1160624285 XMMLNQSLFRFFLD-UHFFFAOYSA-N 308.382 -0.111 30 20 DBED N#CCNCCCNC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 1162995848 GQLACDCMWABOLP-KGLIPLIRSA-N 310.398 -0.514 30 20 DBED Cn1ncnc1COCC(=O)NCCC1(CNCC#N)CC1 1167570305 XICWBRXFXWBGTM-UHFFFAOYSA-N 306.370 -0.269 30 20 DBED C=C(Cl)CN1CCO[C@@H]2CCN(C(=O)CNC(N)=O)C[C@H]21 1176912317 IIIFOKPYUYJVAM-GHMZBOCLSA-N 316.789 -0.291 30 20 DBED CC#CCN1CCO[C@@H]2CCN(C(=O)C(=O)NCC3CC3)C[C@@H]21 1177123753 CXTATFCJOJVFTF-LSDHHAIUSA-N 319.405 -0.162 30 20 DBED C#CCNC[C@@H]1C[C@H]2CC[C@H]1N(C(=O)CN1CCNC(=O)C1)C2 1177876665 PFMYTJPOWWUYMJ-QLFBSQMISA-N 318.421 -0.732 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)Cn2cc(C)cn2)C1 1181325782 NBABXCCQBMZBFR-UONOGXRCSA-N 317.393 -0.480 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)Cc2cc(C)on2)C1 1181708995 IMRLEHSCGTZCLJ-GFCCVEGCSA-N 304.350 -0.535 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@@H]1CCN(C(=O)C2=COCCO2)C1 1188725738 FAEHWMRETSBNOZ-CHWSQXEVSA-N 321.377 -0.455 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC[C@H]2CN(Cc3nnn(C)n3)C[C@H]21 1190439983 DXPVXKZKQNNLNM-RWMBFGLXSA-N 320.397 -0.166 30 20 DBED Cc1cncn1CC(=O)N1CC[C@@H](N(C)CC(=O)NCC#N)C1 1191360929 UXHANOREKKLHTH-CYBMUJFWSA-N 318.381 -0.636 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)C2CC(C)(C)C2)C1 1192600108 UYCJKNPJGKALHA-MRVWCRGKSA-N 321.421 -0.278 30 20 DBED C=CCC(C)(C)C(=O)N[C@@H]1CN([C@H]2CCN(C)C2=O)C[C@H]1O 1196482939 VZOZGUZEPBFCDJ-FRRDWIJNSA-N 309.410 -0.019 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)C2(NC(C)=O)CCCC2)C1 1196860450 HMJGHOWAMFVEIA-ZIAGYGMSSA-N 307.394 -0.380 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)C2(C(=O)NC)CC2)CC1 1197417177 HMMOGMZIOKXCEU-UHFFFAOYSA-N 322.409 -0.651 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)Cc2ncc[nH]2)CC1 1197555468 OXOTUMVRXKDAJF-UHFFFAOYSA-N 305.382 -0.211 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)COCc2nc(CC)no2)C1 1197649651 FOIVEMYDWXLESK-VXGBXAGGSA-N 322.365 -0.667 30 20 DBED C=CCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CN(CC)CCO2)C1 1198870069 HJSSSSAJGPIICA-KFWWJZLASA-N 311.426 -0.165 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)[C@H]2C[C@@H]2OCC)CC1 1199484939 IONIXCDLPQGACE-KBPBESRZSA-N 307.394 -0.259 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)c2cc(C)n(C)n2)CC1 1199531216 UIYIHKVBKNHCPH-UHFFFAOYSA-N 317.393 -0.328 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)CCCO1 1201403155 IIJZYTXWJCXLNU-HZSPNIEDSA-N 323.393 -0.750 30 20 DBED C#CCCN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)CN1C(=O)CNC1=O)C2 1204948274 MVUNYPUVGLXNIG-JHJVBQTASA-N 318.377 -0.469 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)c2cc(C)ncn2)C1 1207812959 GNAFYGNEGJMBPB-CYBMUJFWSA-N 315.377 -0.271 30 20 DBED Cc1nc(O)[nH]c1C(=O)N1CCC[C@@H](NCC(=O)NCC#N)C1 1208380530 FUQJXOWYLZYETI-SNVBAGLBSA-N 320.353 -0.742 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)c2cnn[nH]2)C1 1208486728 RNWGNDRQZZIHKD-GHMZBOCLSA-N 306.370 -0.310 30 20 DBED CC#CCN[C@H]1CCCN(C(=O)[C@H]2CCN(C)S2(=O)=O)C1 1210060852 KSXVPGPSXOEWSV-QWHCGFSZSA-N 313.423 -0.376 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)CCc2ncc[nH]2)C[C@H]1C 1214531029 KLRJSORFFLIOBG-CHWSQXEVSA-N 317.393 -0.472 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)C(F)=C(C)C 1217626035 WGXYJPIULYQFHL-QWHCGFSZSA-N 323.368 -0.089 30 20 DBED C=C(C)CCC(=O)N[C@@H]1CN(CCCS(C)(=O)=O)C[C@@H]1O 1219718930 WBKHMTKWCXIXLG-OLZOCXBDSA-N 318.439 -0.061 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](NC(=O)CCNC(=O)COC)C1 1219742896 TXFOWZILNHYXEC-OLZOCXBDSA-N 313.398 -0.733 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)CCn2ccnc2)C1 1220103772 HZLSANAUZOQCHT-KGLIPLIRSA-N 306.366 -0.916 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)[C@@H]3CCCO3)[C@@H]2C1 1221242169 MSDIIATZMZXKSH-MCIONIFRSA-N 305.378 -0.553 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)[C@H]3CCN(C)C3)[C@@H]2C1 1222014194 VVOGNKAGAWXIQE-QLFBSQMISA-N 318.421 -0.780 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)[C@@H]2CCCO2)CC1 1222293760 MYHYSRSSYMSYOL-AWEZNQCLSA-N 307.394 -0.257 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)N(C)C 1225779835 WKDQHKMPQVHABS-CHWSQXEVSA-N 322.409 -0.769 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC(NC(=O)c2cn(C)cn2)CC1 1226876101 NAEPNPCTKOOZNB-LBPRGKRZSA-N 317.393 -0.248 30 20 DBED C=CC[C@H](NC(=O)[C@H](NC(=O)C1CC1)[C@H](C)O)C(=O)OCC 1320131109 BSXGSMYCVBJZLY-ZMLRMANQSA-N 312.366 -0.114 30 20 DBED COC(=O)[C@@]1(C)CCN(C(=O)C(=O)N2CC[C@@](F)(C#N)C2)C1 1325375951 QABYHRJCONHRFQ-UONOGXRCSA-N 311.313 -0.138 30 20 DBED C[C@H](CO)CCCNC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1330418329 NHGFPCDDWDTKEM-JSGCOSHPSA-N 322.409 -0.290 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N1CC[C@@](O)(C2CC2)C1 1330430846 RFCOAIDTKOEAHU-BBRMVZONSA-N 308.378 -0.096 30 20 DBED CC#CCN(C)c1nnnn1CCOCCS(C)(=O)=O 1334208879 KGRVXJXSRQPEFD-UHFFFAOYSA-N 301.372 -0.806 30 20 DBED Cc1cc(NC(=O)C(=O)N[C@H]2CCN(C)C2)nn1CCC#N 1338359884 JSOOUYHWMGPTIS-NSHDSACASA-N 304.354 -0.136 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H](n3cc(C(=O)O)nn3)C2)nn1 1339470256 HLWBMHBDZAQZIV-VIFPVBQESA-N 317.309 -0.159 30 20 DBED C=CCn1c(Cn2cc(CCO)nn2)nnc1N(C)CCOC 1342466025 FKSHGMQUZSKAAC-UHFFFAOYSA-N 321.385 -0.279 30 20 DBED CN(CCCNC(=O)N1CC[C@@](O)(CC#N)C1)S(C)(=O)=O 1347190996 AQUSKFJSWLXOQK-LBPRGKRZSA-N 318.399 -0.672 30 20 DBED N#C[C@H]1CN(C(=O)C2=NN(CCO)C(=O)CC2)CCN1C1CC1 1363570934 LDSPVGRNKVWRCD-LBPRGKRZSA-N 319.365 -0.844 30 20 DBED C[C@H](C#N)C(=O)NC1CN(C(=O)[C@H]2CCc3nnnn3CC2)C1 1374750771 OXYMJBMGNAAJBP-ZJUUUORDSA-N 317.353 -0.888 30 20 DBED COCC(=O)NCCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)C#N 1374929691 VJROUGRXFXOKEF-SRVKXCTJSA-N 322.365 -0.890 30 20 DBED CC[C@H](CNC(=O)c1cccn2nnnc12)NC(=O)[C@H](C)C#N 1375095665 HTAJKOBUUQDSNO-NXEZZACHSA-N 315.337 -0.091 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@@H](CNC(=O)CN2CCCNC2=O)C1 1384967570 MEIMAGISFZFJLR-UTUOFQBUSA-N 321.381 -0.428 30 20 DBED COC[C@H](OC)C(=O)N[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 1386052190 HGJSDKGVQZMQBZ-AAEUAGOBSA-N 320.349 -0.122 30 20 DBED C[C@@H](CNC(=O)[C@@H](C)C#N)NC(=O)C(C)(C)NS(C)(=O)=O 1386456486 KLBRZEPZDNQNQG-IUCAKERBSA-N 318.399 -0.905 30 20 DBED CCN(CCNC(=O)[C@@H](C)CC(N)=O)C(=O)c1ccc(C#N)[nH]1 1388366247 SKWFSIIKTRXBPU-JTQLQIEISA-N 319.365 -0.024 30 20 DBED C[C@@H](CNC(=O)[C@H](C)C#N)NC(=O)c1ccc2nnc(O)n2c1 1389424808 JATQIBLJUARRPZ-BDAKNGLRSA-N 316.321 -0.171 30 20 DBED CC(=O)N(C)CC(=O)N[C@@H](C)CNC(=O)c1cc(C#N)c[nH]1 1392681642 LLYUYWQMPNTKKS-VIFPVBQESA-N 305.338 -0.401 30 20 DBED CCS(=O)(=O)CC(=O)N1CCC[C@H](NC(=O)[C@H](C)C#N)C1 1398521653 SOEFZBJFVKGUOJ-MNOVXSKESA-N 315.395 -0.312 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)COCc2nncn2C)CC1 1410820034 PPSSTLFAVYRMAA-JTQLQIEISA-N 320.353 -0.744 30 20 DBED CCN(C)C(=O)CNC[C@H](O)CNC(=O)c1cc(C#N)c[nH]1 1422287804 ODELFTKOFMJUER-NSHDSACASA-N 307.354 -0.955 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CCN(C(=O)c2cc(C(N)=O)ccn2)C1 1428124236 DPBWPCVUJBZOIQ-ONGXEEELSA-N 315.333 -0.329 30 20 DBED CCn1cc(C(=O)N(CCNC(=O)[C@@H](C)C#N)CCOC)nn1 1428423244 KRVSZMKXCWLZIZ-NSHDSACASA-N 322.369 -0.338 30 20 DBED C[C@@H](NC[C@@H](O)CNC(=O)c1cc(C#N)c[nH]1)C(=O)N(C)C 1438982512 ORKHGXTURDDQPG-MWLCHTKSSA-N 307.354 -0.957 30 20 DBED C=C(Cl)CNC[C@@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 1442128217 ZYQHKTPHIDYXHQ-NSHDSACASA-N 313.789 -0.228 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](C1CC1)N(C)C(=O)Cn1cnnn1 1450797813 GJQDRRUSYXQMIC-ONGXEEELSA-N 305.342 -0.814 30 20 DBED Cn1c(=O)[nH]c(N2CC(=O)N[C@@H]3CCCC[C@H]32)c(C#N)c1=O 1472729837 UKKGGDUEJCHRRG-NXEZZACHSA-N 303.322 -0.807 30 20 DBED C[C@H](C#N)C(=O)N1CCC(N(C)CCNS(C)(=O)=O)CC1 1506955526 KVPAAXWENGLFCX-LLVKDONJSA-N 316.427 -0.382 30 20 DBED C[C@H](C#N)C(=O)N(C)C[C@H]1CCCN1C(=O)C1(NC(N)=O)CC1 1508283659 TXUAUYXUQDITTE-GHMZBOCLSA-N 321.381 -0.204 30 20 DBED C#CCN(CC(=O)O)C(=O)NCCCn1ccc(O)nc1=O 1588408633 VZTVQMKZXMGNMK-UHFFFAOYSA-N 308.294 -0.932 30 20 DBED CCN(CCC#N)S(=O)(=O)N[C@]1(CC(=O)O)CCOC1 1596300122 OLDORHGNNVQJCK-NSHDSACASA-N 305.356 -0.310 30 20 DBED COCCN(CCC#N)C(=O)Cn1cccc(C(=O)O)c1=O 1599235733 NLRPOKXZQWOKKC-UHFFFAOYSA-N 307.306 -0.065 30 20 DBED C#CCCS(=O)(=O)N[C@@H]1CCCCN(CC(=O)O)C1=O 1602675688 IUGJZIJAAQEQSP-SNVBAGLBSA-N 302.352 -0.605 30 20 DBED C#CCN(CC(=O)O)C(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O 1602682907 WMAZRLKYXDCKDE-GHMZBOCLSA-N 306.318 -0.292 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)NC[C@H](O)c1cnn(C)c1 1645764573 PUTOHJXSVYGCAQ-ONGXEEELSA-N 301.372 -0.478 30 20 DBED CC#CCNC[C@@H]1CCCN(C(=O)CCNS(C)(=O)=O)C1 1752798817 IOEBFJHQISRXEW-ZDUSSCGKSA-N 315.439 -0.223 30 20 DBED CCCc1cc(C(=O)N(C)CCNCC(=O)NCC#N)n[nH]1 1753219160 WBLZJRZJEMURBR-UHFFFAOYSA-N 306.370 -0.336 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@H]1CN(C(=O)c1nonc1C)C2 1753312174 UCHQJKVGGKXFAC-RYUDHWBXSA-N 317.349 -0.584 30 20 DBED C#CCNC(=O)CN1CC[C@@H](CCNC(=O)c2[nH]cnc2C)C1 1753341041 OUWDNUDLUPDKSS-CYBMUJFWSA-N 317.393 -0.091 30 20 DBED C=CCNC(=O)CN1CC(NC(=O)Cn2nc(C)cc2C)C1 1753382776 JNRAWRCSBLNIQG-UHFFFAOYSA-N 305.382 -0.397 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NCC1CN([C@H](CC)C(N)=O)C1 1753411229 HBRDLXUOETXBGB-UONOGXRCSA-N 324.425 -0.231 30 20 DBED CC[C@H](CNC(=O)c1c(C)nn(C)c1C)NCC(=O)NCC#N 1753481653 WNSDYAVEAQHVMZ-GFCCVEGCSA-N 320.397 -0.225 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@H](O)CNC(=O)C1CC(F)(F)C1 1753916584 PSQNKDLDJRXQTL-ONGXEEELSA-N 317.336 -0.764 30 20 DBED C#CCNC(=O)[C@H](C)N1CC(N(C)C(=O)CCc2cnc[nH]2)C1 1754576578 QIXXGJGARRODJY-LBPRGKRZSA-N 317.393 -0.377 30 20 DBED C#CCN(C(=O)c1cncn1C)C1CCN(CC(N)=O)CC1 1754638484 ZJPOKFRUJWRAPZ-UHFFFAOYSA-N 303.366 -0.555 30 20 DBED COCC#CCN1CC[C@@](O)(CNC(=O)c2ccc(C#N)[nH]2)C1 1754748710 LOFUWALCHRZHFQ-MRXNPFEDSA-N 316.361 -0.297 30 20 DBED C#CCNC(=O)CN[C@H]1CN(C(=O)c2cc(C)on2)C[C@H]1C 1755103265 JGMYQISLGZKPJG-MFKMUULPSA-N 304.350 -0.217 30 20 DBED CC(C)[C@H](CCN(C)C(=O)Cn1ccc(O)nc1=O)NCC#N 1755341552 KIVBRARTBAMROS-LBPRGKRZSA-N 321.381 -0.065 30 20 DBED CC#CCN(C)CCOCCNC(=O)c1ccc(C(N)=O)[nH]1 1755544391 UDCSCMBEDRYKGA-UHFFFAOYSA-N 306.366 -0.185 30 20 DBED CN(C[C@@H](O)CNCC#N)C(=O)c1cccc2nc(O)[nH]c12 1755782540 XPMSQWYORDAPNT-VIFPVBQESA-N 303.322 -0.185 30 20 DBED Cc1ccnc(C(=O)N(C)C2CC(NCC(=O)NCC#N)C2)n1 1755855720 AGFRHSGLNJTGCW-UHFFFAOYSA-N 316.365 -0.383 30 20 DBED CC(C)C#CC(=O)N[C@H](C)[C@@H](C)NC(=O)CN1CCNC(=O)C1 1755966481 HHKXJJDTCIZCQA-CHWSQXEVSA-N 322.409 -0.913 30 20 DBED C=CCOCC(=O)N1CC([C@@H](C)NC(=O)CC(=O)NCC)C1 1756136390 HZIYHZURPZYPAQ-LLVKDONJSA-N 311.382 -0.322 30 20 DBED C[C@H](C#N)C(=O)N[C@H](C)C1CN(C(=O)C(=O)NCC2CC2)C1 1756156533 PXQPEGYYWBKKRB-NXEZZACHSA-N 306.366 -0.365 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H](CO)CNC(=O)c1cncs1 1756505738 JGXMYZLUXDDANV-VHSXEESVSA-N 311.363 -0.612 30 20 DBED Cc1ccc(C(=O)NC[C@H](CO)NC(=O)C#CC2CC2)nn1 1756521127 KCFVDSWEWRCPJN-GFCCVEGCSA-N 302.334 -0.595 30 20 DBED CC(C)C#CC(=O)N[C@@H]1C[C@@H](C)N(C(=O)Cn2ncnn2)C1 1756595916 UCOJIHMXYMHGBJ-VXGBXAGGSA-N 304.354 -0.562 30 20 DBED C=CCOCC(=O)NC[C@H](O)CN(C)C(=O)[C@H]1CCCO1 1756649196 HUAMCAJFRRNSQN-NWDGAFQWSA-N 300.355 -0.697 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C[C@H](O)CNC(=O)Cc1cnoc1 1756663250 NVZAWIYYVGSSMT-DGCLKSJQSA-N 323.349 -0.809 30 20 DBED O=C(C#CC1CC1)NC[C@H]1C[C@@H](NC(=O)[C@H]2COCCO2)C1 1757318141 PLJKYXCJRRZNAI-HZSPNIEDSA-N 306.362 -0.174 30 20 DBED CNC(=O)CNC(=S)NN=Cc1cc(C(=O)O)ccc1OC 1776042316 DPAVETKSCVZJBA-UHFFFAOYSA-N 324.362 -0.063 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)n1ccnc1)C2 1800451106 WXGPZXKRLBOURC-GUIRCDHDSA-N 316.361 -0.333 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)[C@H](O)C=C)C2 1800453664 NOYBLEMPAHMZPU-QVHKTLOISA-N 320.389 -0.218 30 20 DBED C=CCCOCC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 150030213 DUNJSKBGWSLKKX-UHFFFAOYSA-N 309.366 -0.472 30 20 DBED C=CC[C@@H](CC)NC(=O)N1CCN(C(=O)Cn2cnnn2)CC1 281280104 HYOIXXRKULNGOB-GFCCVEGCSA-N 321.385 -0.118 30 20 DBED C[C@H](O)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)o2)CC1 287667285 DBBHTMICEHHZKF-VIFPVBQESA-N 313.335 -0.635 30 20 DBED C#CCN(C)CCCNC(=O)C1=C(C)N(C)c2nnnn2C1 293851213 AOFNRKHBUFUOQS-UHFFFAOYSA-N 303.370 -0.532 30 20 DBED C#CCOc1ccc(CNC(=O)C(=O)NCC(=O)N(C)C)cc1 296347862 ZLAQTNAQRBDFNX-UHFFFAOYSA-N 317.345 -0.481 30 20 DBED C[C@H](C#N)CN(C)[C@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O 299165711 OCPLJGKRTNGYCD-RKDXNWHRSA-N 307.354 -0.671 30 20 DBED O=C(C1CCC1)N1CCN(CC/N=C(/O)Cn2cnnn2)CC1 328958305 ZZFDLMOWIXOJQH-UHFFFAOYSA-N 321.385 -0.426 30 20 DBED CN1CCN(C(=O)CC/N=C(/O)[C@]2(O)CCSC2)CC1 328992666 VRQMFVFZEXSXCI-ZDUSSCGKSA-N 301.412 -0.025 30 20 DBED CC1(C#N)CN(S(=O)(=O)CC2CCS(=O)(=O)CC2)C1 329202234 CFLJGIRMIPUGTO-UHFFFAOYSA-N 306.409 -0.014 30 20 DBED CC(C)CN1CCO[C@H](C/N=C(/O)N2CCO[C@H](CO)C2)C1 330242522 CFGPLWMXTDZUGL-KGLIPLIRSA-N 315.414 -0.050 30 20 DBED CC1(C)NC(=O)CC[C@@H]1N/C(O)=N/CCCS(C)(=O)=O 330426994 HBQKZXNDZYSAIA-VIFPVBQESA-N 305.400 -0.018 30 20 DBED CCN(CCC#N)S(=O)(=O)N(CCOC)CC(=O)N(C)C 336920275 PTWRWYPFDNIDER-UHFFFAOYSA-N 320.415 -0.497 30 20 DBED COC(=O)[C@@H]1CNC(=O)CN1C(=O)c1cccc(C#N)c1C 338271679 KADKVNRACDUOMY-LBPRGKRZSA-N 301.302 -0.020 30 20 DBED COC(=O)[C@@H]1CNC(=O)CN1C(=O)CNc1cccc(C#N)c1 344927492 UIBIOAFGXZDDAE-LBPRGKRZSA-N 316.317 -0.530 30 20 DBED COC(=O)CN(CC#N)C(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 348805131 SZQMQIUWAHAJHM-QMMMGPOBSA-N 321.255 -0.078 30 20 DBED Cc1cccc(C(=O)N[C@H](C)C(=O)NCC(=O)NCC#N)c1 359971147 QVAULLFUSFQNJV-LLVKDONJSA-N 302.334 -0.131 30 20 DBED CNC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1C#N 360146159 ABWQSAZTKIEADH-SECBINFHSA-N 317.754 -0.403 30 20 DBED CCCC[C@@H](NS(=O)(=O)N1CCO[C@@H](C#N)C1)C(=O)O 417514497 YGZCZOSPXSNDLK-VHSXEESVSA-N 305.356 -0.311 30 20 DBED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2CNC[C@@H]21 418830340 OFXHLGUCNLEIML-YIYPIFLZSA-N 307.394 -0.096 30 20 DBED CC1(C)C[C@@]1(C#N)NC(=O)CCn1cc(S(N)(=O)=O)cn1 427878880 BKNVCSPPGWVJMB-LBPRGKRZSA-N 311.367 -0.271 30 20 DBED C[C@H]1CN(CC(=O)NCC#N)CCN1c1nccn2cnnc12 441051823 RPAYOPLPWBCAQR-NSHDSACASA-N 314.353 -0.725 30 20 DBED C[C@@H](CNc1c(C#N)c(=O)n(C)c(=O)n1C)c1nncn1C 471811729 SXELDDKNRRNBIT-QMMMGPOBSA-N 303.326 -0.700 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N1CC[C@@H](CS(C)(=O)=O)C1 490471573 PJIITWIBJZXSFD-WDEREUQCSA-N 323.440 -0.311 30 20 DBED C#CCN(CC#CC)CC(=O)NCCCN(C)S(C)(=O)=O 490700120 RKDCKRDEXUTVMB-UHFFFAOYSA-N 313.423 -0.657 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2cc(C(C)=O)c[nH]2)CC1 491638743 ZTEKKLPWHPQCEF-UHFFFAOYSA-N 316.361 -0.276 30 20 DBED Cc1cc(NC(=O)C(=O)N2CCC[C@H](C(N)=O)C2)ncc1C#N 516490129 OEAYYBXGHXWWND-JTQLQIEISA-N 315.333 -0.076 30 20 DBED CN(CCC#N)C(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C 522153151 JZBYYTQJZYMUCF-UHFFFAOYSA-N 303.322 -0.439 30 20 DBED COC(=O)[C@H](CC(C)C)NC(=O)CN=c1cc[nH]c(C#N)n1 563423895 ANKJSCHFTMTIQJ-JTQLQIEISA-N 305.338 -0.114 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(C[C@@H]2CCCNC2=O)c1=O 568842431 LTCZTWNTEMZJFP-NSHDSACASA-N 320.349 -0.930 30 20 DBED COC(=O)[C@@H]1C[C@H](O)CN(C(=O)Cc2noc(C)c2C#N)C1 592935745 IRMQAVIKMIGCQC-ZJUUUORDSA-N 307.306 -0.220 30 20 DBED N#C[C@]1(NC(=O)[C@H]2CCCN(S(N)(=O)=O)C2)CCSC1 597036382 QSYOMIYHGMKWSI-GXSJLCMTSA-N 318.424 -0.583 30 20 DBED C=CCn1cc(C(=O)N(CCNC(C)=O)[C@H](C)C(=O)O)nn1 647729787 TZYRNDHDGZBTQK-SECBINFHSA-N 309.326 -0.485 30 20 DBED CN(C)C[C@](C)(O)CNC(=O)NCCNc1ncccc1C#N 752657421 UTJDMDHZASIHEF-OAHLLOKOSA-N 320.397 -0.023 30 20 DBED C#CCN1CCC[C@@H]1COC(=O)c1cn(C)c(=O)n(C)c1=O 756543267 PNDCYXVOTWDRJO-LLVKDONJSA-N 305.334 -0.662 30 20 DBED C#CCNC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)CCCC 760685657 AOOVWMAWBYZDMN-SNVBAGLBSA-N 304.368 -0.613 30 20 DBED COC(=O)c1coc(C(=O)Cn2c(=O)c(C#N)cn(C)c2=O)c1 762477623 OIASBNHVBQSIIA-UHFFFAOYSA-N 317.257 -0.319 30 20 DBED COC(=O)C[C@]1(NS(=O)(=O)N(C)CCC#N)CCCOC1 770294984 LPYMJYCJVTXBDN-GFCCVEGCSA-N 319.383 -0.221 30 20 DBED C#C[C@H](NCCNS(=O)(=O)c1cnn(C)c1)[C@@H]1CCCO1 775800484 SGPGVCZSLGHHAC-STQMWFEESA-N 312.395 -0.531 30 20 DBED C#CCNC(=O)COC(=O)c1cnc2sc(C)cn2c1=O 775889162 AYZHESWSHSCHOL-UHFFFAOYSA-N 305.315 -0.029 30 20 DBED C#CCCCN1C(=O)C(=O)N(CCCN2CCOCC2)C1=O 776853879 ZPYXGTBGEHLLQP-UHFFFAOYSA-N 307.350 -0.087 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H]2CCCN(C)C2=O)C1=O 778791313 CFCFPNBFXLXPCF-SECBINFHSA-N 323.305 -0.873 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N[C@H]1CCN(CCOC)C1 783003130 AOGXPSVGAQPRSO-LBPRGKRZSA-N 319.427 -0.393 30 20 DBED C#CCOc1ccc(NC(=O)C(=O)N2CCNC(=O)[C@H]2C)cc1 784008548 MCELTNQELOGHKX-LLVKDONJSA-N 315.329 -0.016 30 20 DBED C#C[C@H](C)NC(=O)C(=O)Nc1ccc(OC)c(-n2cnnn2)c1 784850023 WWFQXSDYEDJFAI-VIFPVBQESA-N 314.305 -0.253 30 20 DBED C[C@@H](O)CCN(C)C(=O)C(=O)NCCNc1ncccc1C#N 787775814 BHEFSDWAXAKASD-LLVKDONJSA-N 319.365 -0.289 30 20 DBED C#Cc1cncc(C(=O)N(C)C[C@H](O)CN2CCOCC2)c1 798298375 DJWOSUKBDYTJRW-HNNXBMFYSA-N 303.362 -0.172 30 20 DBED C#CC[C@@H](CO)NC(=O)c1cccc(CN2C(=O)CNC2=O)c1 820053906 HYBBOFVKWMEZEH-ZDUSSCGKSA-N 315.329 -0.148 30 20 DBED C#CCN(CC(=O)NCC(=O)NCCO)C(=O)OC(C)(C)C 830233957 YQQBKVGIAKPKQO-UHFFFAOYSA-N 313.354 -0.919 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCOC[C@H]1CC(=O)O 844790689 ATSHROIZTCNBID-WDEREUQCSA-N 319.383 -0.112 30 20 DBED C#CCNC(=O)CN1CCN(Cc2onc(C)c2[N+](=O)[O-])CC1 851751903 YRLJVPDYLKAIFY-UHFFFAOYSA-N 321.337 -0.242 30 20 DBED CS(=O)(=O)C1CN(C(=O)NCCNc2ccc(C#N)cn2)C1 853384768 TVVIINDKSWMGEC-UHFFFAOYSA-N 323.378 -0.196 30 20 DBED C#CCNC(=O)CCN1C[C@@H](C(=O)OC)CC[C@H]1C(=O)OC 859600213 CCVJCCPMCQPUDQ-RYUDHWBXSA-N 310.350 -0.448 30 20 DBED C#CC1(O)CN(S(=O)(=O)c2ccc3c(c2)C(=O)N(C)C3=O)C1 908230064 YWMHVJLVVKPWIO-UHFFFAOYSA-N 320.326 -0.719 30 20 DBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@H](NC(=O)C(N)=O)C1 938583982 LFFWHVODFIZSGN-SRVKXCTJSA-N 309.366 -0.440 30 20 DBED C#CCN[C@@H]1CN(C(=O)CN2C(=O)NC(C)(C)C2=O)C[C@H]1C 939671350 NBGOUHGPJVYTQF-GHMZBOCLSA-N 306.366 -0.614 30 20 DBED CCN1CCO[C@@H](C(=O)N2CCCN(C(=O)[C@H](C)C#N)CC2)C1 941239084 WKBOJADCTKGAGK-ZIAGYGMSSA-N 322.409 -0.072 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)CN2CC(=O)NC2=O)[C@H](C)C1 943673109 AXBBJDAQRYCMAC-VXGBXAGGSA-N 308.382 -0.059 30 20 DBED C#Cc1cncc(C(=O)N[C@H]2CC[C@H](NC(=O)C(N)=O)CC2)c1 943764724 CVNQASDHBKAYOT-JOCQHMNTSA-N 314.345 -0.295 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@H](CNC(=O)c2cc[n+]([O-])cc2)C1 944465287 IUXUGCHDNSIIPH-WCQYABFASA-N 318.333 -0.563 30 20 DBED C=C(C)C(C)(C)C(=O)N1CC(N(C)C(=O)Cn2cnnn2)C1 953692997 GHGZAXDBZLVUBN-UHFFFAOYSA-N 306.370 -0.055 30 20 DBED CN(C(=O)C[C@H]1CCNC1=O)C1CN(C(=O)C#CC2CC2)C1 954463769 OELZYPNSEMLSFY-GFCCVEGCSA-N 303.362 -0.405 30 20 DBED C[C@@H]1C[C@@H](NC(=O)C(N)=O)CCN1C(=O)c1ccc(C#N)[nH]1 955632332 YZEAEDPYGVRERJ-BDAKNGLRSA-N 303.322 -0.519 30 20 DBED C=CCN1CC[C@H](N2CC(N(CC)C(=O)c3nc[nH]n3)C2)C1=O 956980004 MWGDOMBJPDGXJV-LBPRGKRZSA-N 318.381 -0.262 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@](C)(NC(=O)c2ccc(C(N)=O)[nH]2)C1 957613735 XSXHJWKFFQZQJS-PSLIRLAXSA-N 317.349 -0.006 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2nnn(C(C)(C)C)n2)C1 958077137 QFSZPPGXHYZGNJ-GHMZBOCLSA-N 306.370 -0.916 30 20 DBED C=CCN1C[C@@H](O)[C@H](CNC(=O)c2ccc(C(N)=O)cn2)C1 958743980 DCZJYOZIVPYOCE-DGCLKSJQSA-N 304.350 -0.611 30 20 DBED C=CCCN1C[C@@H](O)[C@@H](CNC(=O)c2ccc(C(N)=O)nc2)C1 958749269 WDKUVYZYIMWTIO-GXTWGEPZSA-N 318.377 -0.221 30 20 DBED CN(C(=O)Cc1ccon1)[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 958761696 WCRQVFSOYUMHAA-KBPBESRZSA-N 317.345 -0.339 30 20 DBED C#Cc1ccc(C(=O)N[C@H](C)[C@H]2CCN(C(=O)C(N)=O)C2)cn1 959259952 DZMISAHTKZUVMI-PWSUYJOCSA-N 314.345 -0.485 30 20 DBED C=CCN1C[C@H]2[C@H](NC(=O)[C@@H]3Cc4cncn4C(=O)N3)[C@H]2C1 961314366 QECRNKFVPKOOJX-QNWHQSFQSA-N 301.350 -0.402 30 20 DBED CC#CCN1C[C@H]2[C@H](NC(=O)c3ccc(-n4cnnn4)cn3)[C@H]2C1 961353805 CLEKIDNEXUNQSU-NHAGDIPZSA-N 323.360 -0.259 30 20 DBED C#CCNC1CCC(N(C)C(=O)CN2C(=O)CNC2=O)CC1 964343578 CKGDOMOIQIPOKW-UHFFFAOYSA-N 306.366 -0.469 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCC2(CN(C(C)=O)C2)O1 965549004 UMTWYQWYCXXFKY-GJZGRUSLSA-N 319.405 -0.020 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(C[C@H](NC(=O)c3ccnn3C)CO2)C1 965648282 YRORMDCZWOCGIS-QWRGUYRKSA-N 317.349 -0.321 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H](NC(=O)[C@@H]2CCC(=O)N2C)C1 965988741 BKZAUEODVBYFBY-TUAOUCFPSA-N 306.366 -0.126 30 20 DBED CCN(C(=O)c1nc[nH]n1)C1CN(C(=O)c2c[nH]c(C#N)c2)C1 968234277 AVDOBFASPGUSOS-UHFFFAOYSA-N 313.321 -0.009 30 20 DBED C=CCN1CC[C@H](C)[C@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)C1 968382819 WBVTYSJOEHCHNZ-WDEREUQCSA-N 322.365 -0.580 30 20 DBED C=C(C)CN1CC[C@H](C)[C@H](NC(=O)c2cn(CC(N)=O)nn2)C1 968680511 AHMMQWCUJBUNBK-NWDGAFQWSA-N 320.397 -0.220 30 20 DBED C#CCN1CC([C@@H](C)NC(=O)[C@@H]2CN3CC4CC3(CO2)C4)C1 970189374 DQYAHLNDIOOWLS-RXAYYZCOSA-N 303.406 -0.081 30 20 DBED C=CCN1CC([C@H](C)NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 970243031 RRSXRKXSNYPBLH-VIFPVBQESA-N 316.369 -0.070 30 20 DBED C=CCN1CC[C@H](N[C@@H]2CCN(C(=O)c3cnn(C)n3)C2)C1=O 970257728 UJJRTFLQIBEHGQ-NEPJUHHUSA-N 318.381 -0.594 30 20 DBED O=C1CC[C@@H](N2C[C@H]3CC[C@H]2CN3C(=O)C#CC2CC2)C(=O)N1 971367953 TWBPEDBXIYDNLG-BFHYXJOUSA-N 315.373 -0.120 30 20 DBED Cc1nc(C(=O)N2CC[C@H](N(C)CC#N)C2)nn1-c1nc[nH]n1 972047757 DEMRAKQJIRHGIV-JTQLQIEISA-N 315.341 -0.636 30 20 DBED N#CCN1CCO[C@@]2(CCN(C(=O)[C@H]3CCCCC(=O)N3)C2)C1 972545650 JHUUKEVOOCSHHK-CJNGLKHVSA-N 320.393 -0.128 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)c3ccn(C)c(=O)c3)[C@H]2C1 976794892 DKDNJWBGXQGDOU-WUWHUORYSA-N 314.345 -0.268 30 20 DBED C=CCN[C@H]1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)[C@H]1C 986330693 HYFIIJCVMAUONQ-RYUDHWBXSA-N 306.366 -0.688 30 20 DBED C#CCN[C@@H]1C[C@H](C)N(C(=O)c2ccc(=O)n(CCOC)n2)C1 989147113 XTEDWLBXOYTFCD-QWHCGFSZSA-N 318.377 -0.285 30 20 DBED N#Cc1c[nH]c(C(=O)NC2CN(C(=O)[C@H]3CC[C@H]3C(N)=O)C2)c1 990724103 UKNQWEHZVBQRHU-MNOVXSKESA-N 315.333 -0.662 30 20 DBED CCn1ncc(C(=O)N2CC(NC(=O)c3ccc(C#N)[nH]3)C2)n1 990887262 KBGMBOGQWSKZJO-UHFFFAOYSA-N 313.321 -0.248 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC(NC(=O)C2=CCOCC2)C1 990989278 IPOGHCGPUVZEDH-HNNXBMFYSA-N 317.389 -0.242 30 20 DBED C#CCCN1CC[C@@]2(NC(=O)CN3C(=O)CNC3=O)CCC[C@@H]12 992476848 QEHGJLCFFCFFFJ-WBMJQRKESA-N 318.377 -0.325 30 20 DBED C=C(C)CN1CCC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@H]1C 993333690 HXONKGNOFZFRKL-NEPJUHHUSA-N 320.397 -0.078 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)c2cc3c(cn2)OCCO3)C1 994264522 TZVFBWLOQYOJTK-VIFPVBQESA-N 316.317 -0.047 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)c2cnc(O)n2C)C1 997433933 BIFUIXRESDWPDL-PWSUYJOCSA-N 320.349 -0.343 30 20 DBED CN(C(=O)CN1C(=O)CC(C)(C)C1=O)C1CC(NCC#N)C1 998768286 ANHCQYOQULECNC-UHFFFAOYSA-N 306.366 -0.126 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CCN(C)C2=O)C1 1000018935 UMFBDASGXXSPMA-UPJWGTAASA-N 321.377 -0.617 30 20 DBED C#CCN1CC[C@H](n2cc(CNC(=O)c3ccn(C)n3)nn2)C1 1000045358 PNBVNIZCKTYMHR-ZDUSSCGKSA-N 313.365 -0.178 30 20 DBED N#Cc1ccc(C(=O)N2CC(CNC(=O)c3cnon3)C2)[nH]1 1003807506 GHCVPLHQWPJQIM-UHFFFAOYSA-N 300.278 -0.229 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)CC(N)=O)C1 1006182515 YWRNSYRKYIDSMS-RTXFEEFZSA-N 323.393 -0.194 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](CNC(=O)c3ncn(C)n3)[C@H]2C1 1009033777 PXGGAUXACSPVHB-XWLWVQCSSA-N 302.338 -0.591 30 20 DBED Cn1ncc(CCC(=O)N2CCN(C(=O)C#CC3CC3)CC2)n1 1011110128 MSJDCIDSHKBLPL-UHFFFAOYSA-N 315.377 -0.168 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C(=O)c2ccc(C(N)=O)cn2)CC1 1011328710 ZJARFRSUFQGNFA-JTQLQIEISA-N 315.333 -0.375 30 20 DBED COc1cnc(C(=O)NC2[C@@H]3CN(C(=O)[C@H](C)C#N)C[C@@H]23)nc1 1013488266 USLSJSUTIILHKT-FBIMIBRVSA-N 315.333 -0.169 30 20 DBED C=CCN1C[C@@H]2CC[C@H](C1)N2C(=O)CCn1cc[nH]c(=O)c1=O 1018069259 NZMNTKLIYISSBF-BETUJISGSA-N 318.377 -0.212 30 20 DBED C#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1nc(C)ccc1=O 1018205736 PSVPJIBTQVDHGY-OKILXGFUSA-N 300.362 -0.140 30 20 DBED C=CCOc1cccnc1C(=O)N1CC[C@H](NCC(N)=O)C1 1019628510 CTJLPXFATWLODQ-NSHDSACASA-N 304.350 -0.064 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@H](NCc3nnnn3C)C2)nc1 1019675678 YEZLYNWBBHUKQB-LBPRGKRZSA-N 311.349 -0.409 30 20 DBED C[C@H](C#N)C(=O)N1CCCC[C@@H]1CN(C)C(=O)c1nnn(C)n1 1019797515 UEIQTILLYACCRE-GHMZBOCLSA-N 319.369 -0.177 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H]3OCCN(C(C)=O)[C@H]3C2)nn1 1019881902 GGMSHVGDKOPYJW-UONOGXRCSA-N 319.365 -0.074 30 20 DBED COCCN1C[C@@H](C(=O)NC[C@@H]2CCCCN2CC#N)CC1=O 1024468332 MUMCDJGEYUSCFU-KBPBESRZSA-N 322.409 -0.024 30 20 DBED C=CCN1CC[C@H](N2CC[C@@H]2CNC(=O)[C@@H]2[C@H]3COC[C@H]32)C1=O 1038607369 LONJSGMXVJOSGA-MRLBHPIUSA-N 319.405 -0.144 30 20 DBED Cc1nn[nH]c1C(=O)N1CC[C@](O)(CNC(=O)C#CC(C)C)C1 1039665806 SWNDKWAVLJVFIG-HNNXBMFYSA-N 319.365 -0.534 30 20 DBED C=CCCC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2CC(=O)N(C)C2)C1 1040089111 CGPBKVYXKOEHEQ-MLGOLLRUSA-N 323.393 -0.490 30 20 DBED COCC1(C(=O)NC[C@@]2(O)CCN(C(=O)C#CC3CC3)C2)CC1 1040294415 AEOOWOBFAYSXHP-KRWDZBQOSA-N 320.389 -0.094 30 20 DBED CC(C)(C)C#CC(=O)N1CC[C@@](O)(CNC(=O)c2nc[nH]n2)C1 1040551623 UBSIBZPHGGJUEO-OAHLLOKOSA-N 319.365 -0.453 30 20 DBED Cn1cc(C(=O)N2CC[C@H]3CN(c4ccc(C#N)nn4)C[C@H]32)nn1 1040603028 HLFHODQSKVBXLD-GXFFZTMASA-N 324.348 -0.172 30 20 DBED CCOCCCC(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1041644228 WMNMBGTUJNWBJW-UHFFFAOYSA-N 308.378 -0.094 30 20 DBED C=CCCCC(=O)N1CC(O)(CNC(=O)[C@H]2C[C@@H]2C(=O)OC)C1 1041984505 MZGPMWLBQJETOE-RYUDHWBXSA-N 324.377 -0.159 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)C[C@H]2COC(=O)C2)C1 1042555212 UOBHGELTUFQUAQ-GFCCVEGCSA-N 322.361 -0.567 30 20 DBED N#Cc1ccc(C(=O)NCC2(O)CN(C(=O)c3ccc[nH]3)C2)[nH]1 1042604974 HJWWSGGTIXPFCU-UHFFFAOYSA-N 313.317 -0.169 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)c2c[nH]c(C#N)c2)C1 1042802304 IHYZMBRWTUYQTM-UHFFFAOYSA-N 314.345 -0.007 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)Cc2cnn(C)c2)C1 1042803424 YWRCUDZMPDOBCK-UHFFFAOYSA-N 318.377 -0.544 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(O)CN(C(=O)c2ccnnc2)C1 1042812085 MAZIYPJDVFJAOD-AWEZNQCLSA-N 320.349 -0.893 30 20 DBED CC#CCN1CC(N(C)C(=O)[C@H]2CCc3nnc(O)n3C2)C1 1043127289 DCNVBPJFRLCHOA-NSHDSACASA-N 303.366 -0.288 30 20 DBED Cc1nc[nH]c1C(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1044034926 IHBGHTHHWRBORV-MNOVXSKESA-N 313.321 -0.641 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)[C@H](C)OCC2CC2)C1 1045540370 GSXUXTXIASLBMZ-QWRGUYRKSA-N 309.366 -0.349 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)CCc2cccnc2)C1 1045555931 VBFWNPOFTJJDPA-GFCCVEGCSA-N 316.361 -0.137 30 20 DBED Cc1cncn1CC(=O)N1CCN([C@@H]2CCN(CC#N)C2)CC1 1046043446 GAEAUBLEFZVQCN-OAHLLOKOSA-N 316.409 -0.066 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1C[C@H](CNC(=O)[C@@H]2CCC(=O)N2)C1 1046861641 CMPBZAGBQHETDE-JKOKRWQUSA-N 313.361 -0.040 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(C)c2)C1 1048219243 RNBMDLOPKARRNQ-KBPBESRZSA-N 318.377 -0.277 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2ccon2)C1 1048378799 XNHUIKHXXBIUJJ-STQMWFEESA-N 305.334 -0.022 30 20 DBED C=CCOCC(=O)N(C)[C@H]1CN(C(=O)C(C)(C)F)C[C@@H]1O 1048550946 ADTDXQKQANDZLH-QWRGUYRKSA-N 302.346 -0.033 30 20 DBED C=CCC(CC=C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CC(N)=O)C1 1048605021 KIMIOCWJNUUBEX-STQMWFEESA-N 323.393 -0.340 30 20 DBED C=C[C@](C)(O)CC(=O)N(C)[C@H]1CN(C(=O)c2cn[nH]c2)C[C@@H]1O 1048757546 ILKKHAZQRPZWRC-HUBLWGQQSA-N 322.365 -0.620 30 20 DBED C=C[C@](C)(O)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cnco2)C1 1049121354 KCYWVRUQNYPYKO-PGUXBMHVSA-N 323.349 -0.355 30 20 DBED C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1nc(C)n(C)c1=O 1049872857 ZXBIOTSGNJUBHQ-KBPBESRZSA-N 317.393 -0.411 30 20 DBED N#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)CN1C(=O)CNC1=O 1049886743 UCIRTDBJBGONDN-WDEREUQCSA-N 305.338 -0.873 30 20 DBED N#CCN1C[C@@H]2CCCN(C(=O)C[C@@H]3NC(=O)NC3=O)[C@@H]2C1 1050067762 XSRSMFLBYDJUSU-GARJFASQSA-N 305.338 -0.969 30 20 DBED C=CCCN1CCOC[C@@H]1CNC(=O)[C@H]1CCS(=O)(=O)C1 1051012121 TYJSHVZNMQMMLV-STQMWFEESA-N 316.423 -0.186 30 20 DBED C[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1CNC(=O)CCNC(N)=O 1052554367 OOXRZTQYYIAZBF-WCQYABFASA-N 320.393 -0.331 30 20 DBED C#CCN1CC[C@]2(CCCN(C(=O)CN3CCNC(=O)C3)C2)C1 1054175442 NIKCRHYUUZRXAQ-QGZVFWFLSA-N 318.421 -0.634 30 20 DBED CC(=O)N[C@H](C)C(=O)N1C[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2C1 1055144512 KDHHUNUNRGTJBF-WFFHOREQSA-N 306.366 -0.413 30 20 DBED C=CCCC(=O)N1CCC[C@](CO)(NC(=O)c2cnnn2C)C1 1055918130 JYUMHYIUZNOVTE-HNNXBMFYSA-N 321.381 -0.135 30 20 DBED Cn1cc(C(=O)N2CCN(c3ccnc(C#N)n3)CC2)nc1O 1056004977 ZQXZYDDEJAGYQT-UHFFFAOYSA-N 313.321 -0.250 30 20 DBED C[C@@H](C#N)C(=O)N[C@@]1(CO)CCCN(C(=O)c2cn(C)nn2)C1 1056094687 VVEXTZYKIVUYJP-HZMBPMFUSA-N 320.353 -0.942 30 20 DBED CCn1cc(C(=O)N[C@H]2[C@@H]3CN(c4cncc(C#N)n4)C[C@@H]32)nn1 1056282367 KGOVSVDJGYOOCC-YABSGUDNSA-N 324.348 -0.176 30 20 DBED N#Cc1nccnc1N1C[C@@H]2C(NC(=O)c3cnnc(O)c3)[C@H]2C1 1056334173 YQIATOGVEOWTQN-UWVGGRQHSA-N 323.316 -0.292 30 20 DBED C#Cc1ccc(C(=O)NCCN(CCO)C(=O)CSC)nc1 1056899800 KMXFEWLENUIWRJ-UHFFFAOYSA-N 321.402 -0.023 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@H](C)OC 1057111732 UZOSFRDVVIWUKR-XQQFMLRXSA-N 314.382 -0.451 30 20 DBED CC[C@H](OC)C(=O)NCCN(CCO)C(=O)c1c[nH]c(C#N)c1 1057392094 ZJEZACBQZYSSHQ-ZDUSSCGKSA-N 322.365 -0.138 30 20 DBED CCO[C@@H]1C[C@@H]1C(=O)NCCN(CCO)C(=O)C#CC1CC1 1057531112 FMCCGVRFJCTPBX-UONOGXRCSA-N 308.378 -0.238 30 20 DBED C#CCOCCC(=O)N(CCO)CCNC(=O)[C@H]1CCCO1 1057579965 VDZYDLITNFVBQD-CYBMUJFWSA-N 312.366 -0.858 30 20 DBED C=C(C)C(C)(C)C(=O)N(CCO)CCNC(=O)Cn1nccn1 1058288173 TWBQYAOXVRCBDG-UHFFFAOYSA-N 323.397 -0.183 30 20 DBED N#Cc1cnc(N2CC[C@@H](NC(=O)[C@@H]3CCNC(=O)C3)C2)cn1 1058335826 GKMRPXCJTPXFDX-GHMZBOCLSA-N 314.349 -0.431 30 20 DBED CN1C[C@H](C(=O)N[C@@H]2CCN(c3cnc(C#N)cn3)C2)NC1=O 1058504046 DYIAYSNMSMZZHT-MWLCHTKSSA-N 315.337 -0.933 30 20 DBED CN1C[C@@H](C(=O)N[C@@H]2CCN(c3ccc(C#N)nn3)C2)NC1=O 1058504081 FZKQAZMATXPMFK-MNOVXSKESA-N 315.337 -0.933 30 20 DBED C=CCCC(=O)NC[C@H]1COCCN1C(=O)[C@@H](C)NC(C)=O 1061395679 AFUMRDLIBPWXFF-YPMHNXCESA-N 311.382 -0.179 30 20 DBED C=CCCCC(=O)N1CCOC[C@@H]1CNC(=O)[C@H]1CCC(=O)N1 1061419804 PTKVMXDRBIMCER-QWHCGFSZSA-N 323.393 -0.035 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1CCNC1=O 1061568699 OJKVKXAOYQRQNR-CHWSQXEVSA-N 321.377 -0.875 30 20 DBED C=CCOCC(=O)N1CCOC[C@@H]1CNC(=O)c1ccnnc1 1061929247 PDYDTVUUXRVCND-ZDUSSCGKSA-N 320.349 -0.364 30 20 DBED Cc1cc(C#N)nc(N2C[C@@H]3C[C@H]2CN3C(=O)c2nc[nH]n2)n1 1062516320 RLVRZYUTGWTAGR-QWRGUYRKSA-N 310.321 -0.122 30 20 DBED C#CCNC(=O)CC(=O)NCC1(NC(=O)[C@@H]2C[C@@H]2C)CCC1 1062829301 HQAFUDUDTAPKKN-NWDGAFQWSA-N 305.378 -0.063 30 20 DBED C=CCO[C@H](C)C(=O)NCC1(NC(=O)[C@@H]2CCNC2=O)CCC1 1063429203 XNFZBVBEAORRCA-VXGBXAGGSA-N 323.393 -0.131 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)CCn2ccnn2)CCC1 1064302111 DHQANNAMPZCPFQ-LLVKDONJSA-N 304.354 -0.017 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)c2cc(=O)n(C)o2)CCC1 1064302525 MAZZDFSNYJHYKO-SECBINFHSA-N 306.322 -0.093 30 20 DBED C#CCCCC(=O)N1CCO[C@H](CNC(=O)c2cn(C)nn2)C1 1065093092 QXOZNBNCNJYJMY-GFCCVEGCSA-N 319.365 -0.424 30 20 DBED C=CCCCC(=O)NC[C@H]1CN(C(=O)Cn2nccn2)CCO1 1065195515 PHWORVFNXSRSLW-ZDUSSCGKSA-N 321.381 -0.022 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CN(C(=O)c2csc(O)n2)CCO1 1065487153 HBQIGLHGWUWFQQ-BDAKNGLRSA-N 324.362 -0.034 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CCCN(C(=O)CCNC(N)=O)CC1 1066480605 FYKGEFOHTYLJLU-QWRGUYRKSA-N 309.370 -0.298 30 20 DBED N#Cc1ccc(N2C[C@H](CNC(=O)c3ccncn3)[C@@H](O)C2)cn1 1067675406 BDXVDOIZVXKTNI-NHYWBVRUSA-N 324.344 -0.030 30 20 DBED N#Cc1cnccc1N1C[C@@H](O)[C@H](CNC(=O)c2cnon2)C1 1067678339 QFBDSIRKHVHONE-ZWNOBZJWSA-N 314.305 -0.437 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@@H](CNC(=O)c3cnn[nH]3)C2)nc1 1067697780 NWYLJZPLBHAYAF-CMPLNLGQSA-N 313.321 -0.702 30 20 DBED N#Cc1nccnc1NCC1CC(NC(=O)Cn2cncn2)C1 1067848644 PJTSPYGAFOGBJH-UHFFFAOYSA-N 312.337 -0.053 30 20 DBED CCC(=O)NCC(=O)N1CC2(C1)CN(C(=O)[C@H](C)C#N)CCO2 1068450899 AXIWTCCMFMXSIW-LLVKDONJSA-N 322.365 -0.888 30 20 DBED Cc1c[nH]nc1C(=O)N1CC2(C[C@@H](NC(=O)[C@@H](C)C#N)CO2)C1 1069004559 XBNGNXFIVBCQIQ-GXSJLCMTSA-N 317.349 -0.023 30 20 DBED NC(=O)C1(C(=O)N[C@@H]2CCCN(C(=O)C#CC3CC3)C2)CC1 1070707964 QJJBVBKFRHOXID-GFCCVEGCSA-N 303.362 -0.228 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)C[C@@H]2COC(=O)C2)CC1 1070956014 GFVCOUIDEHFWRW-ZDUSSCGKSA-N 321.377 -0.777 30 20 DBED C=C(C)CN1CCNC(=O)CCN(C(=O)c2nc[nH]n2)CC1 1071009366 MUKVLBNUVLUYOF-UHFFFAOYSA-N 306.370 -0.355 30 20 DBED C#Cc1ccc(C(=O)N2CCC[C@@H](NC(=O)CC(N)=O)C2)cn1 1071043328 FKJYBZHZVIWUTQ-CYBMUJFWSA-N 314.345 -0.341 30 20 DBED C[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@]2(CCN(CC#N)C2)O1 1071164865 UBNWERNNWFXECC-BXUZGUMPSA-N 304.354 -0.356 30 20 DBED CC(=O)NCC(=O)N1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@H](C)C1 1071495583 IPCNJXKHARMNSE-NOZJJQNGSA-N 317.349 -0.401 30 20 DBED C=CCCN1C[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)CC[C@@H]1C 1071516577 AHFYDRDSKSLYQT-RYUDHWBXSA-N 320.397 -0.078 30 20 DBED CC#CCN1C[C@H](NC(=O)Cn2ncn(C)c2=O)CC[C@H]1C 1071625331 OBZMLBZECIDSEQ-CHWSQXEVSA-N 305.382 -0.426 30 20 DBED C#CCCN1C[C@H](NC(=O)Cn2ccc(O)nc2=O)CC[C@H]1C 1071660659 ZTJUELBIPTZRFJ-CHWSQXEVSA-N 318.377 -0.059 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)CNC(=O)C2CC2)C[C@@H]1C 1071687965 OSOVAXCQPLNCGX-WCQYABFASA-N 323.393 -0.322 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(C(=O)CC(C)(C)O)C[C@H]1C 1071987054 BWHAPXOGTUDZTQ-VXGBXAGGSA-N 323.393 -0.750 30 20 DBED C=CCOCC(=O)N[C@H]1CN(C(=O)Cn2cncn2)C[C@H]1C 1072773669 UNOUXVGULSRUOV-NEPJUHHUSA-N 307.354 -0.556 30 20 DBED CNC(=O)NCC(=O)N[C@@H]1CCN(C(=O)[C@@H](C)C#N)CC1(C)C 1073411034 BDPPBBMDAXZFDI-WDEREUQCSA-N 323.397 -0.182 30 20 DBED CNC(=O)CN1CCCO[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 1073566666 SDUGIKWCVNXXQR-LBPRGKRZSA-N 319.365 -0.547 30 20 DBED C=C(Cl)CN1CCCO[C@@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 1073752500 YKXXVDHSZMFPQX-QWRGUYRKSA-N 316.789 -0.373 30 20 DBED C=CCCN1CCCO[C@@H](CNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 1073798436 GHZAXACWPNCFOA-RYUDHWBXSA-N 324.381 -0.632 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)Cc2nnn(C(C)(C)C)n2)C1 1077050414 LRFJIYALTOVBGL-VXGBXAGGSA-N 320.397 -0.845 30 20 DBED C=CCN1CC[C@@H](N2C[C@@H](O)[C@H](NC(=O)c3cnco3)C2)C1=O 1077472894 WBJFFIBNLBRAGR-IJLUTSLNSA-N 320.349 -0.764 30 20 DBED Cc1nc(CNC[C@H]2CN(C(=O)[C@H](C)C#N)CCCO2)n[nH]1 1078357963 FVCQCRBKSVRWAV-PWSUYJOCSA-N 306.370 -0.020 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)N(CC)C1CN(C(=O)C(N)=O)C1 1079768724 ZIDFWFPUWIISOK-GFCCVEGCSA-N 324.381 -0.998 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)[C@H]2CCNC2=O)C1 1080216265 PCRNXZCTMUUHKT-AAEUAGOBSA-N 323.393 -0.227 30 20 DBED N#CCSCC(=O)NC[C@@H]1CN(C(=O)C2CCC2)C[C@H]1O 1081286954 RDQXZKVTBZWICJ-VXGBXAGGSA-N 311.407 -0.021 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)c2ncccn2)C[C@H]1O 1081335648 NMCPZOZSSYODQF-NWDGAFQWSA-N 304.350 -0.008 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2[nH]cnc2C)C[C@@H]1O 1081341275 OQXPSSFUEWXDPW-NEPJUHHUSA-N 322.365 -0.530 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)Cc2ncc[nH]2)C[C@H]1O 1081439338 OPBVLHPJDZHVCP-QWHCGFSZSA-N 318.377 -0.309 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(C(=O)Cc2ccon2)C[C@@H]1O 1081471886 SVPXDDPNBMYRCT-OCCSQVGLSA-N 317.345 -0.434 30 20 DBED C=CC(C)(C)C(=O)NC[C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1O 1081640041 HTVLWHXXPWMWAZ-ZYHUDNBSSA-N 321.381 -0.424 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)c2cncc(C(N)=O)c2)C1 1084067105 ABKMLLVPESLCIG-OLZOCXBDSA-N 304.350 -0.469 30 20 DBED N#CCN1C[C@H]2CC[C@H]1[C@@H]1CN(C(=O)Cn3cnnc3O)C[C@H]21 1087350537 CPUFSQOWBBQPRU-LPWJVIDDSA-N 316.365 -0.324 30 20 DBED C#CCN1C[C@@H](NC(=O)c2nnn(C)n2)CC2(CCOCC2)C1 1089951286 HMNLUSQIFRRYRH-LBPRGKRZSA-N 318.381 -0.556 30 20 DBED C=CCn1cccc1C(=O)N[C@@H]1CCN(CC(=O)NC)C[C@H]1O 1090323840 SUBGWKLSDFIJLB-TZMCWYRMSA-N 320.393 -0.415 30 20 DBED N#CCN1CC[C@H](NC(=O)c2cc3n(n2)CCCC3)[C@@H](O)C1 1090345488 ANFADIOOEOUTLO-JSGCOSHPSA-N 303.366 -0.092 30 20 DBED CC[C@@H](C)OCC(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1O 1090410026 TYZMDBRCSWJQFX-RAIGVLPGSA-N 319.365 -0.171 30 20 DBED COc1coc(C(=O)N[C@@H]2CCN(CC#N)C[C@@H]2O)cc1=O 1090432030 HKNPQXZHADPHMQ-KOLCDFICSA-N 307.306 -0.663 30 20 DBED CCN(C)CCC(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1O 1090473363 KDYGZLWZZUVFQT-ZIAGYGMSSA-N 317.393 -0.039 30 20 DBED C=CCN1CC[C@@H](NC(=O)C2CCN(C(N)=O)CC2)[C@@H](O)C1 1090797251 WHIDLAIUPPVHEF-OLZOCXBDSA-N 310.398 -0.486 30 20 DBED CN(C)CCCC(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@@H]1O 1091175935 ZLMFMEYLVJOLQI-KGLIPLIRSA-N 317.393 -0.039 30 20 DBED Cc1cc(C#N)nc(N[C@H]2C[C@H](CNC(=O)CNC(N)=O)C2)n1 1091423481 YPQWNYLWSZTFHJ-MGCOHNPYSA-N 317.353 -0.368 30 20 DBED C=CCN1CC2(C[C@H](NC(=O)[C@@H]3COC(=O)N3)c3nccn32)C1 1092366908 XXUMMGAIIPJTST-QWRGUYRKSA-N 317.349 -0.251 30 20 DBED N#Cc1ccc(N2C[C@H]3[C@H](NC(=O)CCn4cncn4)[C@H]3C2)nn1 1093214875 ZXSVOQIOJKGNSN-JYAVWHMHSA-N 324.348 -0.419 30 20 DBED Cc1cc(C#N)nc(NCCNC(=O)c2nnn(C)c2C)n1 1093564207 AFSIWVWBYKYFID-UHFFFAOYSA-N 300.326 -0.064 30 20 DBED Cc1cc(=NCCNC(=O)c2ccn3nnnc3c2)c(C#N)c[nH]1 1094032972 ZXHYHQCELQWBBB-UHFFFAOYSA-N 322.332 -0.037 30 20 DBED Cc1ncoc1C(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1 1094721474 BPMXLTBMABLDJX-SNVBAGLBSA-N 303.322 -0.479 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)[C@@H]3CCC(=O)NC3)CC2=O)C1 1094758274 ZSPXWZHQAXCZAG-VXGBXAGGSA-N 320.393 -0.900 30 20 DBED CN1C[C@@H](C(=O)NCCCNc2cnc(C#N)cn2)CC1=O 1094847063 NBPXGIIWCRCGIX-JTQLQIEISA-N 302.338 -0.255 30 20 DBED N#Cc1nccc(N2CCCN(C(=O)CNC(N)=O)CC2)n1 1095164550 WZQOHGPCFJVWSZ-UHFFFAOYSA-N 303.326 -0.945 30 20 DBED CNC(=O)NCC(=O)N[C@@H]1CCCN(c2ccc(C#N)nn2)C1 1096239578 JUOFBYCRWUQNEE-LLVKDONJSA-N 317.353 -0.638 30 20 DBED CCNC(=O)CC(=O)N1CC[C@H](Nc2cnc(C#N)cn2)C1 1096937404 QUYUNXJLSGFDSX-JTQLQIEISA-N 302.338 -0.113 30 20 DBED C=CCOCC(=O)N[C@H]1C[C@H](N=c2cc[nH]c(C(=O)OC)n2)C1 1096994022 UGSGSEXKQHMQEM-XYPYZODXSA-N 320.349 -0.053 30 20 DBED Cc1cc(C#N)nc(N[C@H]2C[C@@H](NC(=O)[C@H](C)NC(N)=O)C2)n1 1097174990 AETHIZXEHCTPGL-LPEHRKFASA-N 317.353 -0.227 30 20 DBED C[C@H](CNC(=O)c1cn(C)c(=O)n1C)N=c1cc[nH]cc1C#N 1097895457 XHDZFHIBJSCAJD-SNVBAGLBSA-N 314.349 -0.357 30 20 DBED COc1ncc(C(=O)NC[C@H](C)N=c2cc[nH]c(C#N)n2)cn1 1098039607 PCJHNLRDOFUAMK-VIFPVBQESA-N 313.321 -0.201 30 20 DBED C[C@@H](CNC(=O)C[C@H](C)NC(N)=O)N=c1cc[nH]c(C#N)n1 1098076888 ZWDRATFOLZTJRH-IUCAKERBSA-N 305.342 -0.866 30 20 DBED C[C@@H](CNC(=O)[C@@H](C)S(C)(=O)=O)N=c1cc[nH]c(C#N)n1 1098393213 SCQNTKFMNWVOFC-DTWKUNHWSA-N 311.367 -0.880 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)Cn1ncnn1)C[C@@H](C)O2 1098599770 LDQHOQXUXDBTFX-CYBMUJFWSA-N 318.381 -0.612 30 20 DBED Cc1nonc1C(=O)N1CC[C@H](n2cc(CNCC#N)nn2)C1 1098789503 DKRFYSIRUJEFAP-NSHDSACASA-N 316.325 -0.330 30 20 DBED C[C@H](CCNC(=O)C1CS(=O)(=O)C1)Nc1ccc(C#N)nn1 1099520805 IDXDOEDLJXORMI-SECBINFHSA-N 323.378 -0.300 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)CCSC)[C@H](O)C1 1099655061 WMVXFIBUUMRTDY-VXGBXAGGSA-N 315.439 -0.407 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)CN(C)C(C)=O)[C@@H](O)C1 1099689217 DUDNCHIGOBWBCG-KBPBESRZSA-N 313.398 -0.781 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)c2cnco2)[C@H](O)C1 1099936637 BKIKZFPODIFSLG-WDEREUQCSA-N 308.338 -0.858 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)C2(CC)CC2)[C@@H](O)C1 1099990123 YIYULTLXLIKMGL-OLZOCXBDSA-N 307.394 -0.523 30 20 DBED CN(CCNC(=O)C[C@@H]1CCC(=O)NC1)c1nccnc1C#N 1100182483 GYJHSWIXRUNXPY-NSHDSACASA-N 316.365 -0.183 30 20 DBED CN(CCNC(=O)[C@]1(C)CCNC1=O)c1cncc(C#N)n1 1100325505 KJPXQEOUGXKJLP-CQSZACIVSA-N 302.338 -0.573 30 20 DBED CC(C)(NS(C)(=O)=O)C(=O)NCC1CC(NCC#N)C1 1100742291 OTERZZLOYKNTTJ-UHFFFAOYSA-N 302.400 -0.678 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)[C@H]1CC[C@H]1C(N)=O 1101892897 LFKQHHAXOVHYRD-ZJUUUORDSA-N 302.338 -0.848 30 20 DBED CC[C@H](CNC(=O)CCNC(N)=O)N=c1cc[nH]cc1C#N 1103092046 LHMPREYXSYZSHF-LLVKDONJSA-N 304.354 -0.260 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@@H](C)[C@H](CCNCC(=O)NC)C1 1104184305 GLFSYKQVSNODNN-HZSPNIEDSA-N 309.410 -0.155 30 20 DBED CN1CCC[C@@H]1C(=O)NC[C@@H](O)CNc1ncccc1C#N 1105756490 VKISWKOQWWZUSU-QWHCGFSZSA-N 303.366 -0.064 30 20 DBED Cc1cc(NC[C@@H](O)CNC(=O)C#CC(C)C)nc(CO)n1 1105812204 REEVHUCPJAZRQA-GFCCVEGCSA-N 306.366 -0.174 30 20 DBED Cc1cc(NC[C@@H](O)CNC(=O)C#CC2CC2)n2ncnc2n1 1105825642 LNUVHHVDMYELIX-GFCCVEGCSA-N 314.349 -0.265 30 20 DBED CO[C@H](C(=O)NC[C@H](O)CN=c1cc(C)[nH]cc1C#N)C1CC1 1105833588 OGRKFBDZMOPCOQ-HIFRSBDPSA-N 318.377 -0.002 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)[C@@H]2CCCNC2=O)nc1 1105999337 OYWPPFYXZACFPH-VXGBXAGGSA-N 317.349 -0.632 30 20 DBED N#Cc1nc(=NC[C@H](O)CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)cc[nH]1 1106110602 WGJRFIASBBMISP-QCNOEVLYSA-N 317.349 -0.773 30 20 DBED CC[C@@H](NC(C)=O)C(=O)NC[C@H](O)CNc1cncc(C#N)n1 1106123033 IOABMIPQWPCFSG-VXGBXAGGSA-N 320.353 -0.848 30 20 DBED C[C@@H](CCNc1ccc(C#N)nn1)NC(=O)[C@H](C)NC(N)=O 1106297482 GIWWGMNJUYUAFW-IUCAKERBSA-N 305.342 -0.288 30 20 DBED C=CCNC[C@@H]1CN(C(=O)Cn2nc(C)n(C)c2=O)C[C@H]1C 1106938270 PNMAERHVCIIIRL-DGCLKSJQSA-N 307.398 -0.240 30 20 DBED C#CCN1CC(n2cc(CNC(=O)CCc3cnn[nH]3)nn2)C1 1107212094 NUDDEZRPQUGOJX-UHFFFAOYSA-N 314.353 -0.865 30 20 DBED CC[C@@H](C)C(=O)NCC(=O)N[C@H](C)CN=c1cc[nH]c(C#N)n1 1107781335 JLWOUUYJUZVGFR-GHMZBOCLSA-N 318.381 -0.151 30 20 DBED CC#CCN1CCO[C@](C)(CNC(=O)CN2CCOCC2)C1 1107879130 RHKMAPANSNHTGG-MRXNPFEDSA-N 309.410 -0.451 30 20 DBED C#CCCN1CCO[C@](C)(CNC(=O)[C@@H]2COCCN2C)C1 1107883400 SMXADOJNVWQZLL-GOEBONIOSA-N 309.410 -0.453 30 20 DBED Cc1cc(C#N)nc(NC[C@H](C)NC(=O)CCNC(N)=O)n1 1108375143 ARCCYAGQLLMXBJ-VIFPVBQESA-N 305.342 -0.368 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)c2nccnc2C(N)=O)C1 1108387083 OCEWESCPGAFLOF-OAHLLOKOSA-N 317.349 -0.971 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)CCCCC(N)=O 1108522147 HXMNNVRSDDARGK-JTQLQIEISA-N 304.354 -0.268 30 20 DBED C[C@@H](CN(C)c1nccnc1C#N)NC(=O)[C@H]1CCC(=O)NC1 1109305337 ODCPFOWRIDXKFJ-QWRGUYRKSA-N 316.365 -0.185 30 20 DBED CN1C[C@@H](C(=O)N(C)CCCN=c2cc[nH]cc2C#N)NC1=O 1109578471 DODGMXLDFZOZAY-ZDUSSCGKSA-N 316.365 -0.341 30 20 DBED C[C@]1(NC(=O)CS(C)(=O)=O)CCN(c2cnc(C#N)cn2)C1 1110719794 ZNNWAOYYOKEGKV-ZDUSSCGKSA-N 323.378 -0.522 30 20 DBED COCc1cc(N2CC[C@@](O)(CNC(=O)[C@@H](C)C#N)C2)ncn1 1111042684 ZETROHIEPBTGFS-XHDPSFHLSA-N 319.365 -0.160 30 20 DBED N#Cc1nc(=NCCN(CCO)C(=O)CC2(O)CCC2)cc[nH]1 1111471625 HCNJXSCYWNXFBL-UHFFFAOYSA-N 319.365 -0.692 30 20 DBED CCC[C@H](OC)C(=O)N(CCO)CCN=c1cc[nH]c(C#N)n1 1111546626 SJRYEXVKEJKARY-LBPRGKRZSA-N 321.381 -0.182 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CCCN(c2ccnc(C#N)n2)CC1 1111984381 YARGNNDIFMKRCZ-LLVKDONJSA-N 316.365 -0.041 30 20 DBED C=CCN1CC[C@@H](N2CCN(C(=O)CN(C)C(C)=O)CC2)C1=O 1112631304 XOUOVRNFQKASBX-CQSZACIVSA-N 322.409 -0.604 30 20 DBED N#Cc1c(F)cccc1N1C[C@@H](O)[C@H](CNC(=O)C(N)=O)C1 1112751206 MICOSPUOJMTQNT-PRHODGIISA-N 306.297 -0.904 30 20 DBED C#CCO[C@H](C)C(=O)N1CCN(CCNC(=O)C2CC2)CC1 1112846006 CHQUVGJPDUYDLG-CYBMUJFWSA-N 307.394 -0.305 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)[C@H]2CC23CCOCC3)CC1 1113742389 YZPUELAHVAYJNN-CYBMUJFWSA-N 320.393 -0.413 30 20 DBED C[C@H]1CCN(c2cncc(C#N)n2)C[C@@H]1NC(=O)CNC(N)=O 1113998510 YUWFRSHRGVGXSF-ONGXEEELSA-N 317.353 -0.652 30 20 DBED CCn1cc(CC(=O)NC2[C@@H]3CN(CC#CCOC)C[C@@H]23)nn1 1114603122 WWPSZPUGSVHJIE-ZIAGYGMSSA-N 317.393 -0.463 30 20 DBED Cc1nc(C)c(C(=O)N[C@H]2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]32)[nH]1 1114840285 JRXFBPUHQKUPPY-YABSGUDNSA-N 316.365 -0.674 30 20 DBED N#CCNC(=O)CN1C[C@@H]2C(NC(=O)[C@@H]3C[C@H]3C3CC3)[C@H]2C1 1114952241 QUUGGLIZVUBWBX-RNJOBUHISA-N 302.378 -0.281 30 20 DBED Cc1n[nH]c(C)c1C(=O)NC1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]12 1114978104 OQMVSVNDPZGGAW-GHMZBOCLSA-N 316.365 -0.674 30 20 DBED C#CCN1C[C@H]2C(NC(=O)CNC(=O)NCc3ccco3)[C@@H]2C1 1115288034 KGFAILCDKVHVOM-CHWSQXEVSA-N 316.361 -0.242 30 20 DBED Cc1nc(CC(=O)N(C)C[C@@H](C)N=c2cc[nH]c(C#N)n2)n[nH]1 1115715013 VQMVGXWCWCDIAZ-SECBINFHSA-N 314.353 -0.302 30 20 DBED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2C(=O)CNC2=O)CC1 1116021496 PETRCUCRTKBNQK-LLVKDONJSA-N 307.354 -0.769 30 20 DBED COc1ccc(C#N)cc1NC(=O)C(=O)NCCc1nc[nH]n1 1116464723 LVABDXHWVGGZDW-UHFFFAOYSA-N 314.305 -0.018 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CC[C@@H](C)C[C@H]2CN)nn1 1118551176 LLWLOIIQLQUDDH-YPMHNXCESA-N 320.397 -0.334 30 20 DBED C#CCNC(=O)C1CCN(C(=O)NCCCn2cncn2)CC1 1119040978 LDJMWSGJARGPCN-UHFFFAOYSA-N 318.381 -0.161 30 20 DBED Cn1cc(C(=O)NC[C@@H](CO)Nc2cnc(C#N)cn2)cn1 1121024367 KMIMUYXGADUKQY-NSHDSACASA-N 301.310 -0.715 30 20 DBED C#CCNC1CC2(C1)CC(NC(=O)CN(C)S(C)(=O)=O)C2 1121189525 QUNNKXABBKNILT-UHFFFAOYSA-N 313.423 -0.472 30 20 DBED Cc1ccc(CC(=O)NC[C@H](CO)N=c2cc[nH]c(C#N)n2)o1 1121316810 BCVDBWOYOREJBP-LLVKDONJSA-N 315.333 -0.197 30 20 DBED N#Cc1cnc(N[C@H](CO)CNC(=O)C[C@H]2CCOC2)cn1 1121400173 VHOQAQIUROLXCU-PWSUYJOCSA-N 305.338 -0.336 30 20 DBED Cn1nccc1CC(=O)NC[C@H](CO)Nc1ccc(C#N)cn1 1121411762 HMLIJDHTHKTXNL-GFCCVEGCSA-N 314.349 -0.182 30 20 DBED COCC[C@H](C)C(=O)NC[C@H](CO)Nc1cnc(C#N)cn1 1121610399 ZVDBTYQUKBMJKO-CMPLNLGQSA-N 307.354 -0.090 30 20 DBED COCC(C)(C)C(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1 1122230110 QWZPRVFVOGBDMQ-JTQLQIEISA-N 307.354 -0.668 30 20 DBED CC(=O)NCC(=O)N1C[C@@H](Nc2ccc(C#N)nn2)C[C@@H]1C 1123121803 PCKZRBLTSWFPON-CABZTGNLSA-N 302.338 -0.114 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H]1CC[C@@H](NC(=O)CNC(N)=O)C1 1123719468 PEWQIAWTFSPCER-CMPLNLGQSA-N 316.365 -0.260 30 20 DBED CO[C@@H](C)CC(=O)N(C)C[C@H](O)CN=c1cc[nH]c(C#N)n1 1124148793 FELXJTUTLBJDHP-WDEREUQCSA-N 307.354 -0.574 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)c1cnn(CC)n1 1126712237 OTGZSMHFQCBAFP-UHFFFAOYSA-N 321.385 -0.620 30 20 DBED CCOCCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H](C)C#N)C1 1128834686 PCCWPYNRNKJLNM-UPJWGTAASA-N 306.370 -0.184 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)c2cnn3c2CCC3)C1=O 1128927264 KOTDFLXTUSKIIS-CYBMUJFWSA-N 317.393 -0.064 30 20 DBED C=CC(C)(C)CC(=O)N1C[C@H](n2ccnn2)[C@H](NCC(N)=O)C1 1129876445 QPZLEHVMEHCJNC-NEPJUHHUSA-N 320.397 -0.293 30 20 DBED C#CCCN[C@@H]1CN(C(=O)c2ncccn2)C[C@@H]1n1ccnn1 1130047897 YLEZPGDNTXNEIC-OLZOCXBDSA-N 311.349 -0.253 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@@H]1C[C@H]1C1CCOCC1 1131242708 WMVWLAYEHYDNRT-UONOGXRCSA-N 307.394 -0.496 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)[C@@H]1CN(C)C[C@@H]1C 1133866946 QAMIFAVVLNBKID-UONOGXRCSA-N 323.441 -0.348 30 20 DBED C#CCCN[C@@H](C)C[C@H](C)NC(=O)c1cn(C)c(=O)n(C)c1=O 1135613543 GVACMHKZAWXPES-RYUDHWBXSA-N 320.393 -0.406 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)CCc1cn[nH]c1 1135652308 YPNDXADCVGAVCF-OLZOCXBDSA-N 319.409 -0.035 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)c1c[nH]c(C)cc1=O 1146560853 JUSPQMPFZHBXIX-NSHDSACASA-N 306.366 -0.307 30 20 DBED CCC[C@H](C(=O)N1CC2(CCN(CC#N)C2)C1)S(N)(=O)=O 1147987134 YXQYPMZSOYQCSD-LLVKDONJSA-N 314.411 -0.499 30 20 DBED N#CCN1CCCO[C@H](CNC(=O)CNC(=O)N2CCCC2)C1 1149700310 HHKKAGXIUAOKNO-CYBMUJFWSA-N 323.397 -0.478 30 20 DBED COCC#CCN1CCCO[C@H](CNC(=O)c2cncn2C)C1 1149947120 UHRKTIZGVNPBBI-CQSZACIVSA-N 320.393 -0.109 30 20 DBED C#CCOCCC(=O)NCCCNCCOCCNC(C)=O 1157845752 BEQKRHFKYMDDJD-UHFFFAOYSA-N 313.398 -0.725 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@@H](F)CN(CC)CC 1159148387 FEDRHHLBAQTEQP-ZDUSSCGKSA-N 314.405 -0.488 30 20 DBED N#CCNC(=O)CNCC1(CCNC(=O)c2cnccn2)CC1 1163216671 ISPDWOJKCZTDAY-UHFFFAOYSA-N 316.365 -0.394 30 20 DBED C=CCOCC(=O)NCCC1(CNCC(=O)NCC#N)CC1 1163799364 FASUWMOWWGIJIZ-UHFFFAOYSA-N 308.382 -0.295 30 20 DBED N#CCNCC1(CCNC(=O)[C@@H]2CCc3nnc(O)n3C2)CC1 1165819872 XZIHLLHFTQDVJE-LLVKDONJSA-N 318.381 -0.054 30 20 DBED C#CCNCCCC[C@H](C)NC(=O)[C@@H]1CCS(=O)(=O)N1 1176638622 FTAYLTNHOFCBRT-RYUDHWBXSA-N 301.412 -0.424 30 20 DBED N#CCNC(=O)CNCCCCCCNC(=O)c1cc[nH]n1 1177923605 IAZHVJSKCWAOGP-UHFFFAOYSA-N 306.370 -0.071 30 20 DBED CC#CCN[C@H]1CCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)[C@H]1C 1179648885 RPEORBWRAUOCTA-QWRGUYRKSA-N 320.349 -0.991 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@@]1(C)CNCC(=O)NC(N)=O 1181419995 XFZMKJPTXGKAGS-BDJLRTHQSA-N 320.393 -0.331 30 20 DBED CC#CCNC[C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C[C@@H]1C 1184933371 KAWWDJHEXHJLTN-GJZGRUSLSA-N 320.437 -0.484 30 20 DBED C#Cc1cncc(C(=O)N2CC[C@@H](NCCOCCO)C2)c1 1185557113 AMECZXYMMZQPFY-OAHLLOKOSA-N 303.362 -0.124 30 20 DBED Cn1nnc(C(=O)N2C[C@H](CNCC#N)C3(CCOCC3)C2)n1 1186463887 AZOMMADSWQJDCU-NSHDSACASA-N 319.369 -0.808 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC[C@H](N(C)Cc2nnnn2C)C1 1189918330 PDJROWKGFCOYSX-FZMZJTMJSA-N 308.386 -0.430 30 20 DBED COCC[C@@H](C)C(=O)N1CC[C@H]2CN(CC(=O)NCC#N)C[C@H]21 1190272257 USTLGWAQWINFJD-HZSPNIEDSA-N 322.409 -0.169 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)CCCN(C)C)C1 1192039080 VZVZEGKOKJUQBI-CQSZACIVSA-N 308.426 -0.390 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C(C)=C2CCC2)C1 1192731098 CRUPMQFRNQJBJD-ZIAGYGMSSA-N 307.394 -0.050 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)NC(=O)C2CCCC2)C1 1193166554 MZFLRTCKXGFQLE-BPLDGKMQSA-N 321.421 -0.134 30 20 DBED C#CCNC(=O)[C@H](C)N1CCCN(C(=O)CN2CCCC2)CC1 1198097473 BURLLGUOZQWFHT-HNNXBMFYSA-N 320.437 -0.246 30 20 DBED C[C@H](C#N)C(=O)N1CCCO[C@@H](CNCCNC(=O)C2CC2)C1 1200116504 XKBNXPVEWPIFQH-OCCSQVGLSA-N 322.409 -0.121 30 20 DBED CC(C)C[C@@H](C(N)=O)C(=O)N1CCCO[C@H](CNCC#N)C1 1202251210 PMZYHEMKGJOGTJ-OLZOCXBDSA-N 310.398 -0.135 30 20 DBED C=CCNC(=O)CN[C@H]1C[C@H]2CC[C@H]1N(C(=O)CNC(C)=O)C2 1203916850 KTEHTWCDOIMCHX-HZSPNIEDSA-N 322.409 -0.606 30 20 DBED C=CCN1C[C@@H](NC(=O)[C@@H](CCC(N)=O)NC(C)=O)[C@H](C)C1 1209531208 YZVBJFMXAMHOFG-RAIGVLPGSA-N 310.398 -0.621 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)C(C)(C)NC(C)=O)C1 1210176868 ZSOPAZNIIYCKIF-CYBMUJFWSA-N 322.409 -0.769 30 20 DBED C=CCCOCC(=O)N1CCC[C@@H](NCc2nnnn2C)C1 1211355816 XHNIFUXRHUNPIG-GFCCVEGCSA-N 308.386 -0.117 30 20 DBED CO[C@@H]1CN(CC(=O)N(C)C(C)C)C[C@H]1NC(=O)[C@@H](C)C#N 1212038889 AEEYHGIUFNFCIG-YNEHKIRRSA-N 310.398 -0.172 30 20 DBED C=C(Cl)CN1C[C@@H](NC(=O)[C@H](C)NC(N)=O)[C@H](OC)C1 1212168042 ONAKNESYJFHXDS-IVZWLZJFSA-N 304.778 -0.389 30 20 DBED CNC(=O)[C@@H](C)N1C[C@@H](NC(=O)C#CC(C)(C)C)[C@H](OC)C1 1212255532 MSDBFSXZTVHDNT-JHJVBQTASA-N 309.410 -0.014 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2cnon2)C[C@H]1OC 1212258199 OUIDSAVEORHAEC-RAIGVLPGSA-N 308.338 -0.577 30 20 DBED COCC(C)(C)C(=O)N1C[C@@H](NCC(=O)NCC#N)[C@H](C)C1 1215148407 LPHIQDTZJQGTSQ-VXGBXAGGSA-N 310.398 -0.265 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(CCOCC(F)F)C[C@@H]1O 1219364032 VDLGZOOGHKTMOO-MNOVXSKESA-N 308.325 -0.368 30 20 DBED Cc1cccc(C(=O)NCC(=O)N[C@@H]2CN(CC#N)C[C@@H]2O)c1 1220902469 JBCCDKPCOWJHFK-KGLIPLIRSA-N 316.361 -0.590 30 20 DBED CN(CC(=O)N[C@@H]1CN(CC#N)C[C@@H]1O)Cc1ccccc1 1221163112 SKUWACGCDODZIQ-CABCVRRESA-N 302.378 -0.197 30 20 DBED C=C(C)CN1CC[C@@H]2CN(C(=O)CN(C)S(C)(=O)=O)[C@@H]2C1 1221590701 CTMCPYZPFDHGBF-CHWSQXEVSA-N 315.439 -0.013 30 20 DBED C=CCOCCN1CCC(CNC(=O)[C@H]2CNC(=O)N2)CC1 1224260925 NHQUOVFNBLQDBX-CYBMUJFWSA-N 310.398 -0.301 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)[C@@H](CC)N(C)C)CC1 1227980234 PQAVBHDXODYNPX-CQSZACIVSA-N 308.426 -0.343 30 20 DBED CN(C[C@H]1CCN1CC(=O)NCC#N)C(=O)[C@H]1CCCOC1 1231178871 OFRYSXSGLFKARF-QWHCGFSZSA-N 308.382 -0.415 30 20 DBED NC(=NOCC(=O)N[C@@H]1CCS(=O)(=O)C1)c1cccs1 1317703832 TVDIOXJBMHDLMA-MRVPVSSYSA-N 317.392 -0.312 30 20 DBED N#C[C@@]1(NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)CCSC1 1318343468 YQMTYPQXYBKVDR-LBPRGKRZSA-N 304.335 -0.413 30 20 DBED N#CCCNC(=O)CN1CCC(N2CCC[C@H]2C(N)=O)CC1 1319771833 HDTXYQGRPOJATP-ZDUSSCGKSA-N 307.398 -0.570 30 20 DBED C=C[C@@H](COC)NC(=O)N(C)C[C@H](O)CN1CCOCC1 1320311874 GBYUGAKONLFXTP-STQMWFEESA-N 301.387 -0.478 30 20 DBED C=C[C@H](COC)NS(=O)(=O)N1CCN(C(=O)OCC)CC1 1320583610 JDNRXQCSQYBEFJ-LLVKDONJSA-N 321.399 -0.204 30 20 DBED C=CCCC[C@H](C)NC(=O)C(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1 1322821493 WPXDCDYIILEFKX-SRVKXCTJSA-N 311.382 -0.004 30 20 DBED N#CCNC(=O)CNC(=O)c1ccc(=O)n(-c2ccccc2)n1 1323521609 HDOODVWPMUZSSS-UHFFFAOYSA-N 311.301 -0.398 30 20 DBED C=C[C@H]1CCCCN1C(=O)C(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 1325096335 BMHXDEUHCSBKAM-QWRGUYRKSA-N 320.349 -0.684 30 20 DBED C#CC1CCN(C(=O)C(=O)N2CC[C@H](N3CCOC3=O)C2)CC1 1327384476 VNMHKBRQVFPEML-ZDUSSCGKSA-N 319.361 -0.089 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N[C@@H]1CCCN(C)C1=O 1332869078 XOERIVOEYSKYAF-VXGBXAGGSA-N 309.366 -0.732 30 20 DBED C#CC[C@H](CCOC)NC(=O)NCCC(=O)N1CCOCC1 1334891098 RSOOAZZMFJYLOH-CYBMUJFWSA-N 311.382 -0.037 30 20 DBED C#CCSCCn1nnnc1N1CC(=O)N(CCOC)C1 1335830422 KWSDVSXPFGWSRK-UHFFFAOYSA-N 310.383 -0.708 30 20 DBED C#CCNC(=O)C1CCN(c2nnnn2[C@H]2COC[C@H]2C)CC1 1335864628 PHXYSFJRFJLFCE-YPMHNXCESA-N 318.381 -0.154 30 20 DBED C#CCN1CCN(c2nnc([C@H]3SCCNC3=O)n2C)CC1 1339242809 SYWNXLXNDUMJEI-LLVKDONJSA-N 320.422 -0.526 30 20 DBED C=CCn1c(CO)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1342359870 WNYLRPMMFGNTEU-JTQLQIEISA-N 315.399 -0.574 30 20 DBED C=CCn1c(N2CC(=O)N(C)C[C@@H]2C)nnc1[C@@]1(O)CCOC1 1342443125 QFFKGDXGGZRNAX-XHDPSFHLSA-N 321.381 -0.261 30 20 DBED COCCNC(=O)[C@H](C#N)C(=O)[C@H]1CCc2nnn(C)c2C1 1343476287 BVAAWZOHIWKQSZ-VHSXEESVSA-N 305.338 -0.609 30 20 DBED C#CCN1CCC(OC(=O)CN2CCCS2(=O)=O)CC1 1345673048 GVHGTPRFIVNHME-UHFFFAOYSA-N 300.380 -0.337 30 20 DBED C=CCNC(=O)Cn1nnnc1N1CC[C@@H](OCCOC)C1 1352314546 KZMRRJJFJGWJBA-LLVKDONJSA-N 310.358 -0.783 30 20 DBED CC[C@H](CNS(C)(=O)=O)NC(=O)[C@H](C)n1cnc(C#N)n1 1361559174 ICMUQILWJWBMLU-DTWKUNHWSA-N 314.371 -0.845 30 20 DBED N#Cc1ncn(CC(=O)N2CCC(NC(=O)C3CC3)CC2)n1 1362690816 VMNGFKDDASDIAQ-UHFFFAOYSA-N 302.338 -0.333 30 20 DBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)NC[C@H]1COCO1 1372223391 VAPDKSTXJZVRHX-VIFPVBQESA-N 308.342 -0.190 30 20 DBED CCN(CCNC(=O)CCn1cnccc1=O)C(=O)[C@@H](C)C#N 1388419253 WBCKEKJYUDALLV-LBPRGKRZSA-N 319.365 -0.242 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNCc1cccc(C(N)=O)c1 1392366270 PHLHRLMJGHDBEX-MFKMUULPSA-N 304.350 -0.488 30 20 DBED COc1ncnc(OC)c1C(=O)N[C@H](C)CNC(=O)[C@H](C)C#N 1397587868 PAHIBHOOSBMURJ-RKDXNWHRSA-N 321.337 -0.112 30 20 DBED CCCCS(=O)(=O)CC(=O)N[C@@H](C)CNC(=O)[C@H](C)C#N 1397588000 PVRRDDSEFCQSGO-MNOVXSKESA-N 317.411 -0.018 30 20 DBED CC(C)S(=O)(=O)CCNc1[nH]c(=O)n(C)c(=O)c1C#N 1413886838 CGGLZLVKMGHRBC-UHFFFAOYSA-N 300.340 -0.820 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C)C(=O)c1cnc2c(c1)nnn2C 1415598729 OGJIXAAFDQZEOG-VIFPVBQESA-N 315.337 -0.289 30 20 DBED N#Cc1cn(CCC(=O)NCCc2cccnc2)c(=O)nc1O 1417604977 LCWHRHLWLLATKC-UHFFFAOYSA-N 313.317 -0.035 30 20 DBED CC(C)[C@@H](O)C(=O)NCCN1CCN(C(=O)[C@H](C)C#N)CC1 1429786287 JRGIPTDNDOZVEV-CHWSQXEVSA-N 310.398 -0.577 30 20 DBED C=C(Br)CNC[C@H](O)CN(C)C(=O)c1cnn[nH]1 1441991005 HBWKZMMFRNEJRD-QMMMGPOBSA-N 318.175 -0.264 30 20 DBED COC(=O)CNC(=O)[C@H]1CCCN1C(=O)c1ccc(C#N)[nH]1 1451810754 PLCMVKLIOFMSLX-LLVKDONJSA-N 304.306 -0.220 30 20 DBED CCN(CCC#N)C(=O)CN1CC(NC(=O)CC(C)(C)O)C1 1481556403 VBDJDNHEGZYZKT-UHFFFAOYSA-N 310.398 -0.290 30 20 DBED CCN(CCC#N)C(=O)CNC[C@@H](C)NC(=O)C1=COCCO1 1497787264 ZWYIVFOUVNVAAZ-GFCCVEGCSA-N 324.381 -0.269 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC[C@@H]1CNCC(=O)NC(=O)NC 1499891818 MNPFVPKOELNPDW-VXGBXAGGSA-N 324.381 -0.939 30 20 DBED COCCn1cc(C(=O)N2CC(NC(=O)[C@H](C)C#N)C2)c(C)n1 1530617924 ZYMVWAJDPQPPEO-SNVBAGLBSA-N 319.365 -0.062 30 20 DBED CON=CC(=O)N1CC(N2CCO[C@@H](c3nc(C)no3)C2)C1 1549754871 OESQIAOVBIPAHP-LLVKDONJSA-N 309.326 -0.406 30 20 DBED C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)NC(=O)[C@@H](C)C#N 1574990989 HBSUOXZYGXJVHG-YUMQZZPRSA-N 316.325 -0.411 30 20 DBED C[C@H](OCc1cnn[nH]1)C(=O)N1CC[C@H]2CN(CC#N)C[C@H]21 1575834019 HZWBLLDONMQPRC-GMXVVIOVSA-N 304.354 -0.234 30 20 DBED N#CCN(CCNC(=O)[C@@H]1CCCN1Cc1cnn[nH]1)C1CC1 1577706886 XXBDTCXRXJFYRX-AWEZNQCLSA-N 317.397 -0.127 30 20 DBED C#CCN(CC(=O)O)C(=O)C(=O)Nc1ccc(C(N)=O)cc1F 1588395103 JOPWRHBCVUCDNJ-UHFFFAOYSA-N 321.264 -0.591 30 20 DBED C#CCN(CC(=O)O)c1nnc(C2CC(O)C2)n1CCOC 1588426834 DJJSBSWJSTUNOT-UHFFFAOYSA-N 308.338 -0.313 30 20 DBED CN(C)CCN1CCN(C(=O)[C@@](C)(C#N)CC(=O)O)CC1=O 1593702062 QYBASFDFPYRDFD-CQSZACIVSA-N 310.354 -0.777 30 20 DBED CN1C[C@@H](C(=O)O)N(S(=O)(=O)CC(C)(C)C#N)CC1=O 1598566097 QOOPNAQIBBXUDZ-QMMMGPOBSA-N 303.340 -0.907 30 20 DBED C#CCN(CC(=O)O)c1nnc(C[C@@H]2CCNC(=O)C2)n1CC 1602700761 IKLUUJFMRIWUEZ-NSHDSACASA-N 319.365 -0.109 30 20 DBED C#C[C@H]1CC[C@H](NC(=O)C(=O)N2CCO[C@@H](C(=O)O)C2)CC1 1602704504 IMDMIOWRZDSNPZ-IJLUTSLNSA-N 308.334 -0.393 30 20 DBED C=CCNC(=O)[C@H](C)N[C@H]1C[C@H](NC(=O)c2cnn(CC)n2)C1 1752649825 BTZDRKGJRUDNEN-SRVKXCTJSA-N 320.397 -0.161 30 20 DBED CC[C@@H]1[C@@H](C(=O)NCC[C@@H](C)NCC(=O)NCC#N)CCN1C 1753006819 RJTHUEWCLFYBTF-HZSPNIEDSA-N 323.441 -0.159 30 20 DBED C=CCNC(=O)[C@H](C)NCCN(C)C(=O)[C@@H](C)S(C)(=O)=O 1753203894 CQOCWWUQAWQALO-WDEREUQCSA-N 319.427 -0.842 30 20 DBED C=CCN(C)C[C@H]1CCN(C(=O)CNC(=O)CNC(C)=O)C1 1753350703 PGNOARDVOFJQIU-CYBMUJFWSA-N 310.398 -0.795 30 20 DBED C#CCNC(=O)CN[C@@H](CC)CNC(=O)c1cnnn1CC 1753471383 LRGNCOKPYIVRHD-NSHDSACASA-N 306.370 -0.855 30 20 DBED CC#CCN(C)CCN(C)C(=O)c1cn(C)c(=O)n(C)c1=O 1753864756 VMSUWMAKHAVRPQ-UHFFFAOYSA-N 306.366 -0.889 30 20 DBED C[C@@H](CCNCc1nc(=O)n(C)[nH]1)NC(=O)c1ccc(C#N)[nH]1 1753960214 WCLRGGIIMZYXDB-VIFPVBQESA-N 317.353 -0.394 30 20 DBED C#CCOCCC(=O)N[C@@H]1[C@H]2C[C@H]1N(CCN1CCCC1=O)C2 1754422863 OGLOXFSNELPANY-JJRVBVJISA-N 319.405 -0.162 30 20 DBED C=C[C@@](C)(CC)C(=O)NC[C@@]1(O)CCN(Cc2nnnn2C)C1 1754757346 JACAGJUCOFELGC-GJZGRUSLSA-N 322.413 -0.135 30 20 DBED C=CCNC(=O)CNC1(CNC(=O)[C@@H]2CN(C)CCO2)CCC1 1754979204 HMCSEQNOQQZHFO-ZDUSSCGKSA-N 324.425 -0.752 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)CCCN(C)C(=O)c1cc[nH]n1 1755032912 FLBHTLYLTVSQHR-GFCCVEGCSA-N 305.382 -0.059 30 20 DBED C#CCNCC1(O)CCN(C(=O)[C@H]2CCCS2(=O)=O)CC1 1755156532 WQZSPTIQLOHGGL-GFCCVEGCSA-N 314.407 -0.860 30 20 DBED COCC#CCN(C)[C@H](C)CNC(=O)[C@@H](C)NS(C)(=O)=O 1755319730 SNMUCXYKNLEHCP-VXGBXAGGSA-N 319.427 -0.990 30 20 DBED CC#CCCCC(=O)NC[C@H](CO)N[C@@H](C)c1nnnn1C 1755636692 LYBLSVLPEDCUIP-NWDGAFQWSA-N 308.386 -0.469 30 20 DBED C=CCCC(=O)N[C@H](C)[C@H](C)NC(=O)CS(=O)(=O)NC 1755954580 NEGKBPNDGHMUBO-ZJUUUORDSA-N 305.400 -0.489 30 20 DBED C[C@H](C(=O)N[C@H](CO)CNC(=O)C#CC1CC1)c1ccnn1C 1756519867 PNYSRSPICJQTMR-AAEUAGOBSA-N 318.377 -0.470 30 20 DBED C=C[C@@](C)(O)CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnc(C)[nH]2)C1 1756985752 PMAFZFAJVYGXON-LALPHHSUSA-N 322.365 -0.653 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)c2c(C)cnn2C)C[C@@H]1O 1757161875 ODINWCHZRMFZAM-NEPJUHHUSA-N 322.365 -0.767 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)NC[C@H]1CC(=O)N(C2CC2)C1 1771690398 VWKLMHFYYRKLGF-GHMZBOCLSA-N 314.411 -0.077 30 20 DBED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2 1781696520 GIABTCOGYALCMV-MLGOLLRUSA-N 318.329 -0.779 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(O)cn1)CCO2 1783049528 CSIKEVDQEPYKAR-INIZCTEOSA-N 315.329 -0.136 30 20 DBED N#CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cncn1 1796289604 XOIVNVCPAFWAIJ-ZSBIGDGJSA-N 302.338 -0.170 30 20 DBED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)CN)C2 1802020149 RVAUZAGENUUWAO-XPCVCDNBSA-N 307.394 -0.416 30 20 DBED C=CCC(=O)N1CC2(CCCN2C(=O)[C@@H](N)CCC(N)=O)C1 1842881627 JTCYTUMCOKSPNI-NSHDSACASA-N 308.382 -0.641 30 20 DBED C[C@H](S)C(=O)N1CC2(CCCN2C(=O)Cn2ccnn2)C1 1843103324 ISAWFKQEBWYTDZ-JTQLQIEISA-N 309.395 -0.200 30 20 DBED CCO/C=C/C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846197368 YHWOUQANFCRHRQ-RMKNXTFCSA-N 306.318 -0.172 30 20 DBED Cn1cc(C#N)c(=O)n([C@@H]2CCN(CC(F)(F)F)C2=O)c1=O 134712493 ZCQCOYHUNISOQC-MRVPVSSYSA-N 316.239 -0.246 30 20 DBED CN1CC[C@@H](C(=O)N(CCC#N)CCN2CCOCC2)CC1=O 195166791 PQRYXJXWORCHMM-CQSZACIVSA-N 322.409 -0.071 30 20 DBED C/N=C(/NCc1nncn1C)N1CCN(C[C@@H]2CCOC2)CC1 261728683 LIJXUWDZJXZRRG-ZDUSSCGKSA-N 321.429 -0.455 30 20 DBED COCCN1CC[C@@H](NS(=O)(=O)c2ccc(C#N)nc2)C1 275682336 PLCOATIBLMQJBG-GFCCVEGCSA-N 310.379 -0.048 30 20 DBED N#Cc1ccc(NC(=O)C(=O)N2C[C@@H](O)[C@H](O)C2)c(Cl)c1 277447227 FWRGOHNHURNGCB-GHMZBOCLSA-N 309.709 -0.286 30 20 DBED C=CCCOCCNC(=O)C(=O)N[C@H]1CCN(C(C)C)C1=O 286850606 AYZHBKUGFCBCOP-LBPRGKRZSA-N 311.382 -0.179 30 20 DBED C=CCN(C)C(=O)C(=O)NCC(=O)N(C)CCc1ccccn1 288349008 NQJPIXYDYTYFLC-UHFFFAOYSA-N 318.377 -0.157 30 20 DBED C=C[C@@H](CO)NC(=O)C(=O)Nc1c(OC)ncnc1N(C)C 289956854 DSMMZJWGTUFGMB-QMMMGPOBSA-N 309.326 -0.847 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2CCN(CC)CC2)C1=O 297958329 VAGYVRUNWRZTCF-CYBMUJFWSA-N 322.409 -0.604 30 20 DBED O/C(=N/CCN1CCOCC1)NCc1nnc2n1CCCC2 328637569 AXADFUSBJVGQDU-UHFFFAOYSA-N 308.386 -0.050 30 20 DBED N#CC1(CN2CCN(C(=O)CN3C(=O)CCC3=O)CC2)CC1 329218960 SCUQMGOOSJCBHL-UHFFFAOYSA-N 304.350 -0.417 30 20 DBED COCCN1CC[C@@H](/N=C(/O)N2C[C@H]3[C@@H](C2)OCCN3C)C1 329737819 TZZDBRXPQWVSIM-HZSPNIEDSA-N 312.414 -0.364 30 20 DBED COCCN1CN(/C(O)=N/[C@@H](C)CS(C)(=O)=O)CC1=O 330400851 SUWUMZQHEQKIMZ-VIFPVBQESA-N 307.372 -0.918 30 20 DBED CCS(=O)(=O)C[C@H](C)/N=C(/O)N1CCO[C@H](CN(C)C)C1 330842504 MVBLCOGNLYERJG-NWDGAFQWSA-N 321.443 -0.014 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1CC[C@H](CO)[C@H]1C 337150492 IVSPVVGQTCLZRP-VXGBXAGGSA-N 305.400 -0.204 30 20 DBED CC(C)[C@H](NS(=O)(=O)N1CCO[C@H](C#N)C1)C(C)(C)O 337161862 VCULABUOTVUUKD-MNOVXSKESA-N 305.400 -0.159 30 20 DBED COCCN(CCC#N)S(=O)(=O)NC[C@@]1(O)CCO[C@H]1C 337166786 CDFYOSGJGLNUHG-RYUDHWBXSA-N 321.399 -0.777 30 20 DBED C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N[C@H](C)C#N 340449904 SVLIYYWIHGCIRG-BDAKNGLRSA-N 324.362 -0.519 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N2CCC[C@]23CCOC3)CCO1 341076379 JHHIDSXOAOGRQY-VXGBXAGGSA-N 301.368 -0.290 30 20 DBED C=C(C)CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O 343031925 NEUYKBQKOBZILD-GCDPNZCJSA-N 321.337 -0.574 30 20 DBED CNC(=O)Cn1cc(NS(=O)(=O)c2cncc(C#N)c2)cn1 357029465 RHJHQKVYDOSTRR-UHFFFAOYSA-N 320.334 -0.303 30 20 DBED Cn1ccc2cccc(NC(=O)C(=O)NCC(=O)NCC#N)c21 357300516 DVWKFNOUWPHDTN-UHFFFAOYSA-N 313.317 -0.127 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N1CCN([C@@H]2CCOC2)CC1 369223602 GQBQGSMZYAZCHV-QWHCGFSZSA-N 316.427 -0.128 30 20 DBED C#C[C@@H](C)N(C)S(=O)(=O)N1CCN(C(=O)OCC)CC1 491682897 VNMKLYCZFRGOCM-LLVKDONJSA-N 303.384 -0.041 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC[C@H](CN(C)S(C)(=O)=O)C1 491762015 YUSUBSGJGSUTIG-CHWSQXEVSA-N 315.439 -0.272 30 20 DBED CCN(C)C(=O)CNC(=O)N(C)CCCc1[nH]nc(N)c1C#N 548189711 CYBCOQOXHXQOPU-UHFFFAOYSA-N 321.385 -0.084 30 20 DBED CN(C)S(=O)(=O)N(CC#N)CC(=O)NC(C1CC1)C1CC1 550841532 AQPZYKVUAQLHRG-UHFFFAOYSA-N 314.411 -0.077 30 20 DBED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(C)C(=O)C1 570695364 SPNXOYISSWJFKS-WCQYABFASA-N 309.366 -0.616 30 20 DBED N#Cc1ccc(S(=O)(=O)N2C[C@@H](CO)[C@@H](O)C2)c(F)c1 573339719 VKRRAGBEUZYIBK-ONGXEEELSA-N 300.311 -0.329 30 20 DBED C[C@H](NCCS(=O)(=O)c1ccc(C#N)cn1)C(=O)N(C)C 574911949 JFSYRATUYWGXMU-JTQLQIEISA-N 310.379 -0.207 30 20 DBED CC[C@H](C)[C@@H](NC(=O)Cn1c(=O)[nH]cc(C#N)c1=O)C(=O)OC 583083789 GUCSVQNFOJAMGQ-GZMMTYOYSA-N 322.321 -0.888 30 20 DBED N#CCNC(=O)CNC(=O)N1CCN(C[C@H]2CCCO2)CC1 588746484 CFJWLIDMZUBCFY-GFCCVEGCSA-N 309.370 -0.868 30 20 DBED COC(=O)[C@@H]1C[C@@H](O)CN(S(=O)(=O)N(C)C[C@@H](C)C#N)C1 592120562 YWCNKXFUSZBLLA-HBNTYKKESA-N 319.383 -0.822 30 20 DBED Cc1ccc(C#N)cc1NC(=O)C(=O)NCCN1CC[C@H](O)C1 600100165 UQLHPXDDANMOTC-ZDUSSCGKSA-N 316.361 -0.012 30 20 DBED CC#CC[C@H](CO)NC(=O)NCCC(=O)N1CCN(C)CC1 645159682 JHWMTYBAYXIUNQ-CYBMUJFWSA-N 310.398 -0.776 30 20 DBED CC#CC[C@@H](CO)NC(=O)C(=O)N=c1cc2n([nH]1)CCCC2 646950651 FBRYBTMPTKWNHT-NSHDSACASA-N 304.350 -0.530 30 20 DBED NS(=O)(=O)c1ccc(NN=C2CCCS(=O)(=O)C2)nc1 731926211 RDSPSPJAMJCTIY-UHFFFAOYSA-N 318.380 -0.295 30 20 DBED C#C[C@@H](NC(=O)C1CCN(S(N)(=O)=O)CC1)[C@@H]1CCCO1 772881503 SDDFDPGIZDXMBX-NEPJUHHUSA-N 315.395 -0.801 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)Oc2cnn(CC)c2)C1=O 792584423 HCCARMHGZWVTTP-UHFFFAOYSA-N 306.278 -0.215 30 20 DBED C=CCN1CC[C@H](OC(=O)[C@@H](NC(=O)C2CC2)[C@@H](C)O)C1=O 798629234 GTTBCXFDHMLFCU-USWWRNFRSA-N 310.350 -0.408 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)CCC[C@]1(C)NC(=O)NC1=O 801428809 ILEIYTUVARVGKN-XPTSAGLGSA-N 309.322 -0.564 30 20 DBED C#CCCS(=O)(=O)N[C@@H]1CCN(C2CCOCC2)C1=O 808299236 FJIMCDBSANDHOG-GFCCVEGCSA-N 300.380 -0.291 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)C[C@H]1CCCC(=O)N1 808690008 IZCATAMXYUNPOZ-VHSXEESVSA-N 311.338 -0.011 30 20 DBED C#C[C@@H](NC(=O)C(=O)N(CCO)CC(F)F)[C@@H]1CCCO1 809308207 GSMSZMHJOLHHNW-ZJUUUORDSA-N 304.293 -0.631 30 20 DBED COCCN(C)S(=O)(=O)NC(=O)c1ncc(C#N)cc1C 815978838 HZSQCECSLHJRAS-UHFFFAOYSA-N 312.351 -0.186 30 20 DBED NC(=O)COc1ccc(C(=O)N[C@H]2CCCN(O)C2=O)cc1 816755253 WOYVXFVWZCDDNK-NSHDSACASA-N 307.306 -0.339 30 20 DBED CC(C)(CNC(=O)[C@](C)(C#N)CC(=O)O)NS(C)(=O)=O 819948452 YIKQHVYJEJHQAS-NSHDSACASA-N 305.356 -0.565 30 20 DBED C#CC[C@H](NC(=O)CCN1C(=O)CCNC1=S)C(=O)OC 848220092 HHZSSQJQYBGEHI-VIFPVBQESA-N 311.363 -0.836 30 20 DBED C=C(CN(C)C)C(=O)N1CCN(S(=O)(=O)N(C)C)CC1 855636403 LLHNWQQQVBRNBR-UHFFFAOYSA-N 304.416 -0.945 30 20 DBED C#CC[C@H](CO)NS(=O)(=O)N1CCC2(CC1)OCCO2 882343629 XTTUDHMMFDZZBF-LLVKDONJSA-N 304.368 -0.956 30 20 DBED C#CC1(O)CN(C(=O)N[C@@H]2CCC[C@@H](S(C)(=O)=O)C2)C1 893150584 NIAMLRXMZUPRSU-GHMZBOCLSA-N 300.380 -0.268 30 20 DBED C#CC1(O)CN(C(=O)NCCCOCCOCCOC)C1 894257187 OKEQXXDYUOQZJS-UHFFFAOYSA-N 300.355 -0.554 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)c2cccn3nnnc23)C1=O 897651252 WUHFSSZYFVBTTI-NSHDSACASA-N 300.322 -0.017 30 20 DBED C#CCN1CCC[C@@H](NC(=O)CS(=O)(=O)N(CC)CC)C1 923576586 SWNLWGDUHZZFNW-CYBMUJFWSA-N 315.439 -0.128 30 20 DBED C=CCOC[C@@H](NC(=O)[C@@H]1CSCC(=O)N1)C(=O)OC 935776368 KXACYIHRSNMFGR-BDAKNGLRSA-N 302.352 -0.922 30 20 DBED C[C@H](C#N)C(=O)N1CCCC[C@H](NC(=O)CN2CCOCC2)C1 943196413 XIQHOHHYBQWSET-KGLIPLIRSA-N 322.409 -0.024 30 20 DBED Cc1nonc1C(=O)NC[C@H]1CN(C(=O)C#CC2CC2)CCO1 944654164 NWHAMDRUBSOQQF-LBPRGKRZSA-N 318.333 -0.251 30 20 DBED CO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)[C@]1(F)CCOC1 945904623 NKSCWEPQAAHWJG-IOASZLSFSA-N 324.352 -0.130 30 20 DBED C[C@H](C#N)C(=O)N1CC(N(C)C(=O)[C@H]2CCCCN2C(N)=O)C1 955393866 JYLQJNOTIBXVQV-ZYHUDNBSSA-N 321.381 -0.252 30 20 DBED C#CCCN1CC(N(CC)C(=O)c2cn(C)c(=O)nc2O)C1 957378629 ZDNLWNGWQYYTDK-UHFFFAOYSA-N 304.350 -0.345 30 20 DBED N#Cc1cccc(CN2C[C@@H]3C(NC(=O)Cn4cnnn4)[C@H]3C2)c1 958192918 KZEQCUVKNJNWPT-KBPBESRZSA-N 323.360 -0.209 30 20 DBED C#CCCN1C[C@@H](O)[C@@H](CNC(=O)c2ccnc(OC)n2)C1 958248915 QIGOFKWYVAQMRW-WCQYABFASA-N 304.350 -0.469 30 20 DBED C#Cc1ccc(C(=O)NC2[C@@H]3CN([C@H](C)C(=O)NC)C[C@@H]23)cn1 962327483 SXHVMOZBOBKXBQ-LERXQTSPSA-N 312.373 -0.143 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C2CN(C(=O)[C@H]3CCCO3)C2)CC1 967246320 YOJFFDCAFFNPMS-GXTWGEPZSA-N 320.393 -0.320 30 20 DBED CCN(C(=O)[C@@H]1CCN(C)C1=O)C1CN(C(=O)[C@@H](C)C#N)C1 968258429 BCFAQMRZHZCWPW-CMPLNLGQSA-N 306.366 -0.316 30 20 DBED C=CCn1cc(C(=O)N2CC[C@@H](NCc3cnn(C)n3)C2)nn1 970206537 WSPJPXKTLPDLAH-LLVKDONJSA-N 316.369 -0.403 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)[C@]3(CC)CCNC3=O)C2)C1 972424134 ZGTLCHOEYZPDJR-IAGOWNOFSA-N 319.405 -0.161 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CCC(=O)N3)C2)[nH]1 974045644 ZPWZEOQFYAGKFA-UMNHJUIQSA-N 315.333 -0.458 30 20 DBED N#CCN1C[C@@H]2CC[C@H](NC(=O)C3CS(=O)(=O)C3)C[C@H]2C1 979735723 XDZSDFKFBKOMCF-GVXVVHGQSA-N 311.407 -0.229 30 20 DBED O=C(C#CC1CC1)N1CCCN(CC(=O)N2CCOCC2)CC1 981126433 VUCFPMPUBICFCX-UHFFFAOYSA-N 319.405 -0.207 30 20 DBED C[C@@]12CN(CC#N)C[C@]1(C)CN(C(=O)C1CS(=O)(=O)C1)C2 982289507 VEBYZJOYHXHTLU-OKILXGFUSA-N 311.407 -0.275 30 20 DBED C=CCN[C@@H]1C[C@@H](C)N(C(=O)CCc2nnc(O)nc2O)C1 989089671 XVSRSABGTQBSPS-NXEZZACHSA-N 307.354 -0.020 30 20 DBED CC(=O)N1C[C@H](n2ccnn2)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 990867174 WILUAZSNQNUMID-OLZOCXBDSA-N 313.321 -0.320 30 20 DBED CN1CC[C@@H](C(=O)NC2CN(C(=O)c3cc(C#N)c[nH]3)C2)C1 991714589 ZQEANTGSWUJGHK-LLVKDONJSA-N 301.350 -0.221 30 20 DBED CCn1nc(C(=O)NC2CN(C(=O)C#CC3CC3)C2)ccc1=O 997780000 PZQYBCGNEXMKAS-UHFFFAOYSA-N 314.345 -0.383 30 20 DBED NC(=O)c1coc(C(=O)NC2CN(C(=O)C#CC3CC3)C2)c1 999745151 DQRHHFAYPYFNRL-UHFFFAOYSA-N 301.302 -0.268 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)C[C@@H]2CCNC2=O)C1 1000032426 GRPUPTGUHVBWPW-UHTWSYAYSA-N 321.377 -0.569 30 20 DBED C[C@@H](C#N)C(=O)N1CC(CNC(=O)c2c[nH]c(C(N)=O)c2)C1 1002016273 UBHSDNRGGMDMRM-QMMMGPOBSA-N 303.322 -0.539 30 20 DBED N#Cc1c[nH]c(C(=O)N2CCN(C(=O)[C@H]3CCC(=O)N3)CC2)c1 1010698363 YORCIKPXMYJMHV-LLVKDONJSA-N 315.333 -0.551 30 20 DBED O=C1C[C@H](CC(=O)N2CCN(C(=O)C#CC3CC3)CC2)C(=O)N1 1011107391 DYHDJFJMBVBZOY-GFCCVEGCSA-N 317.345 -0.877 30 20 DBED C#Cc1cncc(C(=O)N2C[C@@H]3C(NC(=O)c4nc[nH]n4)[C@H]3C2)c1 1013589000 PFPOGCOAJDRQBU-RYUDHWBXSA-N 322.328 -0.319 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2cnon2)C1 1014780181 QQUXAOMVKFTMPD-OCCSQVGLSA-N 303.366 -0.142 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CCN(Cc3nnn(C)n3)C2)nc1 1016025695 ZYTRLTFFRZRBCP-GFCCVEGCSA-N 311.349 -0.409 30 20 DBED C=C(Cl)CN1CC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C1 1016342079 ZMNUPSYFASKZSZ-SECBINFHSA-N 312.761 -0.680 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CCN(C(=O)CN3CCCC3=O)[C@@H]2C1 1021043669 LQCAREPKPVYCNH-RWMBFGLXSA-N 318.377 -0.172 30 20 DBED C=CCN1CC[C@H](N(C)[C@@H]2CCCN(C(=O)CC(N)=O)C2)C1=O 1027340201 BKQUJWVWVQCSQI-OLZOCXBDSA-N 322.409 -0.429 30 20 DBED N#Cc1ccc(C(=O)NC2CN([C@@H]3CCC(=O)NC3=O)C2)[nH]1 1030224783 CBKGSEYNMSCYNU-LLVKDONJSA-N 301.306 -0.894 30 20 DBED C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)CN1CCCS1(=O)=O 1032434679 RLNXMVMYFKKDGW-STQMWFEESA-N 313.423 -0.117 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)[C@H]2CCN(C)S2(=O)=O)C1 1033502381 PIYMBMWNUBCSGB-NWDGAFQWSA-N 301.412 -0.261 30 20 DBED C#CCN1CCCC[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 1034424699 UUTAJYMMVPJTLS-LBPRGKRZSA-N 318.377 -0.699 30 20 DBED N#CCN1CCO[C@@H](CNC(=O)c2cnc3cccnn23)C1 1035535648 JMDJQNHZCFEFSM-NSHDSACASA-N 300.322 -0.317 30 20 DBED CC#CCN1CCO[C@@H](CNC(=O)[C@@H]2COCCN2C(C)=O)C1 1035607975 DONBRGXVKTWXLE-GJZGRUSLSA-N 323.393 -0.926 30 20 DBED C=CCN1CC[C@@H](N2CC[C@H]3CC[C@@H](C2)N3C(=O)C(N)=O)C1=O 1039426318 BBDVCSBRQSSPNS-FRRDWIJNSA-N 320.393 -0.676 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@]1(O)CCN(C(=O)CSC)C1 1039576141 MBPAAVLNBOGALB-ZIAGYGMSSA-N 316.423 -0.244 30 20 DBED C=CCCCC(=O)NC[C@@]1(O)CCN(C(=O)c2cn(C)nn2)C1 1040729454 PPMMWVQGLYGVTK-HNNXBMFYSA-N 321.381 -0.135 30 20 DBED Cc1cc(C(=O)NCC2(O)CN(C(=O)C#CC(C)C)C2)n(C)n1 1041747243 WMRDGAWPVOADHY-UHFFFAOYSA-N 318.377 -0.309 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)c2ccnc(C)n2)C1 1042052137 CQXVJBCNTHPAPD-UHFFFAOYSA-N 320.349 -0.709 30 20 DBED N#Cc1ccc(C(=O)NCC2(O)CN(C(=O)C#CC3CC3)C2)[nH]1 1042609349 VCTLYGYHBGDQHJ-UHFFFAOYSA-N 312.329 -0.397 30 20 DBED C=C(C)CCC(=O)N1CC(O)(CNC(=O)Cc2nnc(C)o2)C1 1042891597 JUKCGGLSFFNBSR-UHFFFAOYSA-N 322.365 -0.034 30 20 DBED O=C(C#CC1CC1)NCC1(O)CN(C(=O)[C@H]2C[C@@]23CCOC3)C1 1042960780 ODDBGMABUUYKKG-CZUORRHYSA-N 318.373 -0.484 30 20 DBED Cc1cnoc1C(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042961499 ZDGHPHCEPJWLNE-UHFFFAOYSA-N 303.318 -0.300 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)C2=COCCC2)C1 1043032982 NZBRJZSBLOJHRT-UHFFFAOYSA-N 322.361 -0.590 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)CCc2cnn(C)c2)C1 1043421056 POLYVGLAIDWSDV-NSHDSACASA-N 319.365 -0.798 30 20 DBED C#CCN[C@@H]1CCN(C(=O)CN2CCN(C)C(=O)C2)[C@H](C)C1 1044655997 FLNRAMOYYHSNFR-ZIAGYGMSSA-N 306.410 -0.637 30 20 DBED C[C@H]1C[C@H](NCC#N)CCN1C(=O)Cn1ccc(O)nc1=O 1044667962 QKLBCPBKXFEZKP-WDEREUQCSA-N 305.338 -0.558 30 20 DBED CC(C)(C)C#CC(=O)N1CC(O)(CNC(=O)c2nc[nH]n2)C1 1044770524 DGTMVHYXYJWCCU-UHFFFAOYSA-N 305.338 -0.843 30 20 DBED C=CCN1CC[C@H](N2CCN(C(=O)[C@H]3CCN(C)C3=O)CC2)C1 1046054243 JXNNLWWDHUYWHP-GJZGRUSLSA-N 320.437 -0.131 30 20 DBED C#CCN1CC[C@@H](N2CCN(C(=O)C34CCN(CC3)C4)CC2)C1 1046076261 LGFTYWNWHKFFSK-MRXNPFEDSA-N 316.449 -0.066 30 20 DBED Cn1nnnc1CN1CC[C@](C)(NC(=O)c2ccc(C#N)[nH]2)C1 1046251461 NADWSBDYKWYDSD-AWEZNQCLSA-N 314.353 -0.196 30 20 DBED C=CCOCC(=O)N1C[C@H]2C[C@@H](NC(=O)CNC(N)=O)C[C@H]1C2 1047304378 YGIDKDJNIWKZOQ-QJPTWQEYSA-N 324.381 -0.647 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3nn[nH]c3C2)C1 1047593790 WGLVDKVNJDSSSO-CQDKDKBSSA-N 317.393 -0.564 30 20 DBED CN(C(=O)[C@@H](C1CC1)N1CCOCC1)[C@H]1CN(CC#N)C[C@@H]1O 1047637033 LTIQCQHYTQSYMW-SOUVJXGZSA-N 322.409 -0.876 30 20 DBED COCCC(=O)N(C)[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1O 1047984725 SMCSBUKRYSQHSI-STQMWFEESA-N 320.349 -0.433 30 20 DBED C#CCN1C[C@H]2CN(C(=O)[C@@]3(C)CCCS3(=O)=O)C[C@H]2C1 1049112827 DCYQBTPGLLPEFN-VNHYZAJKSA-N 310.419 -0.023 30 20 DBED C=CCCN1C[C@H]2CN(C(=O)CN3CCC(=O)NC3=O)C[C@H]2C1 1049154438 CAAZDADAESVGQR-BETUJISGSA-N 320.393 -0.105 30 20 DBED C#CCCN1CC[C@H]2[C@H]1CCCN2C(=O)CN1CC(=O)NC1=O 1049791440 VBQZQDHXHDFGBO-OLZOCXBDSA-N 318.377 -0.373 30 20 DBED C#CCCN1CCOC[C@H]1CNC(=O)c1cc(C(N)=O)cn1C 1051003307 MHYMMLMLNSHPNW-CYBMUJFWSA-N 318.377 -0.422 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)[C@@H]1COCCN1CCCC 1051042237 CTZHXCLYZJMGLX-CVEARBPZSA-N 323.437 -0.063 30 20 DBED C=CCN1CCN([C@@H]2CCN(C(=O)[C@H]3CN(C)CCO3)C2)CC1 1051999182 FYFGTBNLZBUNAM-HZPDHXFCSA-N 322.453 -0.279 30 20 DBED C#CCN1CCN([C@H]2CCN(C(=O)Cc3cncnc3)C2)CC1 1052020016 DJQXVRIJRAJAIS-INIZCTEOSA-N 313.405 -0.129 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](C)[C@H](CNC(=O)C(F)F)C1 1052396583 HAKDPAMPQNOTAI-NXEZZACHSA-N 315.320 -0.398 30 20 DBED C=C(Cl)CN1CC2(C1)CN(C(=O)[C@H]1CCC(=O)N1)CCO2 1053189678 VSECZXHQHVSSCT-LLVKDONJSA-N 313.785 -0.069 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)C[C@H]1CCC(=O)NC1)CCO2 1053285584 JTMDJJLOGZDQPO-CQSZACIVSA-N 319.405 -0.161 30 20 DBED C#CCN1CC2(C1)CN(C(=O)C(=O)N1CCC[C@@H](C)C1)CCO2 1053462006 YSDHSESGAVQFCW-CQSZACIVSA-N 319.405 -0.209 30 20 DBED CC(=O)N1CCC[C@@H](C(=O)N[C@@H]2COC3(C2)CN(CC#N)C3)C1 1053865253 UYOROUYAASCZQR-KGLIPLIRSA-N 320.393 -0.272 30 20 DBED CC(=O)N1CCN(c2ccncc2C#N)[C@H]2CS(=O)(=O)C[C@H]21 1054769255 ODQNAWXPNWYFDP-KGLIPLIRSA-N 320.374 -0.213 30 20 DBED NC(=O)C(=O)NC[C@H]1CC[C@H](CNC(=O)C#CC2CC2)CC1 1054897702 XRUCHKZSSZUNIT-JOCQHMNTSA-N 305.378 -0.076 30 20 DBED Cn1ccc(CC(=O)N2CCN(c3cncc(C#N)n3)CC2)n1 1055795224 LCBSTSIUFFQXQS-UHFFFAOYSA-N 311.349 -0.027 30 20 DBED C=CCCC(=O)N[C@@]1(CO)CCCN(C(=O)CC(=O)NC)C1 1055824386 SJSOJUOHHBXWKC-HNNXBMFYSA-N 311.382 -0.442 30 20 DBED N#Cc1cncc(N2C[C@@H]3C(NC(=O)c4cc[n+]([O-])cc4)[C@H]3C2)n1 1056101095 ZXYKOQFSGZXGOC-STQMWFEESA-N 322.328 -0.154 30 20 DBED N#Cc1ccc(N2C[C@H]3[C@H](NC(=O)[C@@H]4COCCO4)[C@H]3C2)nn1 1056134339 HEOOTACUKSUFHX-KZVDOYCCSA-N 315.333 -0.686 30 20 DBED N#Cc1nccc(N2C[C@H]3C(NC(=O)c4cnnc(O)c4)[C@@H]3C2)n1 1056333400 KJGNQTIPKIYLFI-NXEZZACHSA-N 323.316 -0.292 30 20 DBED C=CCCOCC(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)C(N)=O 1056453511 WHHOTZSSNWVDSY-NEPJUHHUSA-N 309.366 -0.344 30 20 DBED CN(c1ccc(C#N)nn1)[C@@H]1CCN(C(=O)c2ncn(C)n2)C1 1056909948 HHMQCDSAOXACDF-LLVKDONJSA-N 312.337 -0.172 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)CSCC#N 1057026912 QESJZFQEVIJYPR-UHFFFAOYSA-N 311.407 -0.160 30 20 DBED C=C[C@](C)(O)CC(=O)NCCN(CCO)C(=O)[C@@H](CC)OC 1057153955 NCGSAJNORVFTSP-DOMZBBRYSA-N 316.398 -0.324 30 20 DBED COC(=O)[C@H]1C[C@@H]1C(=O)N(CCO)CCNC(=O)C#CC1CC1 1057178368 VTIOYJQJGYMSLU-STQMWFEESA-N 322.361 -0.854 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)c1coc(C)n1 1057193358 FQYYSGUCPVMGRQ-UHFFFAOYSA-N 311.338 -0.264 30 20 DBED N#Cc1cnc(NC2CCN(C(=O)Cn3cnnn3)CC2)cn1 1057282277 DTGYTLKNNZJHDC-UHFFFAOYSA-N 313.325 -0.562 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)Cc1cccnc1 1057350393 BNGJGEYYRNDAAB-GFCCVEGCSA-N 304.350 -0.279 30 20 DBED C#CCNC(=O)CC(=O)N(CCO)CCNC(=O)CCC(=C)C 1057396038 VBDRQXDIAQRAAO-UHFFFAOYSA-N 323.393 -0.581 30 20 DBED Cc1nonc1CC(=O)N[C@@H]1CCN(c2ccnc(C#N)n2)C1 1058429858 CVEJRXDXCGGTQG-SNVBAGLBSA-N 313.321 -0.023 30 20 DBED CN1C[C@H](C(=O)N[C@@H]2CCN(c3ccc(C#N)nn3)C2)NC1=O 1058504080 FZKQAZMATXPMFK-GHMZBOCLSA-N 315.337 -0.933 30 20 DBED N#Cc1nccnc1N1CC[C@@H](NC(=O)[C@H]2CCC(=O)NC2)C1 1058593952 DTTSHDRWQLNFAB-WDEREUQCSA-N 314.349 -0.431 30 20 DBED CNC(=O)NCCC(=O)N1CC[C@@H](CCNC(=O)[C@H](C)C#N)C1 1059591890 WBXIOFYZTIFZNM-VXGBXAGGSA-N 323.397 -0.180 30 20 DBED C#Cc1ccc(C(=O)N2CCOC[C@@H]2CNC(=O)COC)nc1 1061199921 PWWPPZMVQQDIKB-ZDUSSCGKSA-N 317.345 -0.334 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)Cc1cnn(C)c1 1061412203 NAPMSNVBQPGFOS-AAEUAGOBSA-N 319.365 -0.534 30 20 DBED Cc1ncn(C)c1C(=O)N1CCOC[C@H]1CNC(=O)[C@H](C)C#N 1061852723 LYXVKOBGPDWWKY-ZYHUDNBSSA-N 319.365 -0.155 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(NC(=O)CNC(N)=O)CCC1 1062866572 PWVNSSNTUKJNIP-ZDUSSCGKSA-N 312.370 -0.863 30 20 DBED CN(C(=O)Cn1nccn1)[C@H]1CCN(c2cncc(C#N)n2)C1 1062984281 UWMJUMHEWLYUJE-LBPRGKRZSA-N 312.337 -0.323 30 20 DBED C=CCOCC(=O)NC1(CNC(=O)[C@H](C)CC(N)=O)CCC1 1063903434 RVPLOJFAIYQGFA-LLVKDONJSA-N 311.382 -0.144 30 20 DBED Cc1cc(C#N)nc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)c2cn(C)nn2)n1 1064242601 QVJTUXRIZSRPTI-ICCXJUOJSA-N 324.348 -0.208 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(C(=O)CCOC)CCO1 1064723538 FLZGFPGOXSCYRO-CYBMUJFWSA-N 312.366 -0.594 30 20 DBED C=CCO[C@@H](C)C(=O)NC[C@H]1CN(C(=O)c2cn[nH]c2)CCO1 1064899664 AQRWWJDRYBWHQB-AAEUAGOBSA-N 322.365 -0.042 30 20 DBED COCCOCC(=O)NC[C@H]1CN(C(=O)C#CC2CC2)CCO1 1065133905 BBLBKGZQMPEOSC-AWEZNQCLSA-N 324.377 -0.594 30 20 DBED C=CCn1cccc1C(=O)N1CCO[C@H](CNC(=O)C(N)=O)C1 1065271120 KXMYSOYAMGAVIT-LLVKDONJSA-N 320.349 -0.883 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)CC(N)=O)CC1 1066016366 VAVJJBNQZGTQTF-UPJWGTAASA-N 323.393 -0.050 30 20 DBED N#Cc1nccnc1N1C[C@@H]2CCCN(C(=O)CC(N)=O)[C@@H]2C1 1066227248 YUKFMNZKGJMXQI-CMPLNLGQSA-N 314.349 -0.349 30 20 DBED Cc1cc(=N[C@H]2CN(C(=O)CC(N)=O)C[C@H]2C)c(C#N)c[nH]1 1067061247 FCSVPDQKXSDUNO-RNCFNFMXSA-N 301.350 -0.182 30 20 DBED C#CCO[C@H](C)C(=O)N(C)CCCN(C)C(=O)c1cnn(C)n1 1067427002 FJVHVAYYHYDQJL-GFCCVEGCSA-N 321.381 -0.226 30 20 DBED C=CCCC(=O)N1CC2(C[C@@H](NC(=O)CN(C)C(C)=O)CO2)C1 1068711699 XGEKQBSVLWNNOP-CYBMUJFWSA-N 323.393 -0.083 30 20 DBED CCC(=O)NCC(=O)N1CC2(C[C@@H](NC(=O)[C@@H](C)C#N)CO2)C1 1069003962 QUYNEYSMZVMQEQ-WDEREUQCSA-N 322.365 -0.842 30 20 DBED N#Cc1nccnc1N[C@@H]1CCC[C@H]2CN(C(=O)C(N)=O)C[C@H]21 1069319015 OKUDXANXLJCUQD-HBNTYKKESA-N 314.349 -0.127 30 20 DBED CN(C(=O)Cn1cnnn1)C1CC(Nc2ccc(C#N)nn2)C1 1069710515 ZGFVTQWMVGLWIR-UHFFFAOYSA-N 313.325 -0.564 30 20 DBED C#CCN1CCn2ncc(CNC(=O)C3CN(C(C)=O)C3)c2C1 1069859484 XAGCTJCYWXQJGW-UHFFFAOYSA-N 315.377 -0.574 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@@]2(F)CCOC2)C[C@@H]1n1ccnn1 1070259379 MDJSXEJUUWAGFV-MBNYWOFBSA-N 307.329 -0.619 30 20 DBED N#CCN1C[C@H]2C[C@@H]3CN(C(=O)[C@H]4CCC(=O)NC4)C[C@@]3(C1)O2 1070819154 WQSSGTPGKPYUEM-VPWBDBDCSA-N 318.377 -0.662 30 20 DBED COC(=O)NCC(=O)N1C[C@@H](NC(=O)C#CC(C)C)[C@H](C)C1 1071715510 YDPFELXEGVOBPQ-VXGBXAGGSA-N 309.366 -0.035 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H](C)[C@@H](NC(=O)COC(C)C)C1 1071937026 XBNXMCIOQCSWQW-STQMWFEESA-N 323.393 -0.486 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)c2nc3ncccn3n2)C1 1073824741 WKEQNVPBKSOBEH-GFCCVEGCSA-N 314.349 -0.422 30 20 DBED C#CCOCCC(=O)NCC[C@H](C)NC(=O)[C@@H]1CCN(C)C1 1076506516 XKTGZYKSYKNUKX-UONOGXRCSA-N 309.410 -0.011 30 20 DBED C#CCO[C@@H](C)C(=O)NCC[C@H](C)NC(=O)c1cnnc(O)c1 1076510614 QECBSCAHWNUUQE-QWRGUYRKSA-N 320.349 -0.155 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)CN2CCCC2=O)C1 1076723199 PAZRMXIEMIJNRF-GHMZBOCLSA-N 301.774 -0.477 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2cc(-n3cccn3)ccn2)C1 1077659864 GWUMHDHHJRINMF-HUUCEWRRSA-N 311.345 -0.325 30 20 DBED Cn1cc(CNC[C@H]2CN(C(=O)C#CC3CC3)CCCO2)nn1 1078398978 VXOUVUCSGIOCOB-HNNXBMFYSA-N 317.393 -0.064 30 20 DBED C#CCO[C@H](C)C(=O)NC1(CO)CCN(C(=O)C2CC2)CC1 1080860821 AQAJDIQSHIKGRI-GFCCVEGCSA-N 308.378 -0.096 30 20 DBED CC(=O)N[C@H](C)C(=O)N1CCC(CO)(NC(=O)[C@@H](C)C#N)CC1 1080982222 WHLQLEAJMDNCOM-WDEREUQCSA-N 324.381 -0.860 30 20 DBED C#Cc1cncc(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C(F)F)C2)c1 1081161596 SBEHLUVRPPDJEU-NWDGAFQWSA-N 323.299 -0.123 30 20 DBED COCC(=O)NC[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1O 1081177225 BPZVDOFRGKXNKI-CABZTGNLSA-N 306.322 -0.918 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)c2nonc2C)C[C@@H]1O 1081333346 RVBGRXDBXNTTGM-MNOVXSKESA-N 308.338 -0.107 30 20 DBED CC#CCCCC(=O)N1C[C@H](O)[C@H](CNC(=O)CC(=O)NC)C1 1081434632 YLTARVYUZUHDRO-OLZOCXBDSA-N 323.393 -0.748 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H]1CCCCN1C(=O)COC 1081832289 QUUMLUCQFCNJIU-LBPRGKRZSA-N 309.366 -0.730 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)Cc1n[nH]c(C)n1 1083078421 BWMIDKBTMFOSDP-QWHCGFSZSA-N 303.366 -0.409 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CN(Cc3csnn3)C[C@@H]2O)[nH]1 1083414191 QBKRJJRABWIHCF-NEPJUHHUSA-N 318.362 -0.287 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)c2ccc(=O)n(C)c2)C1 1083598654 GIGJKPFABHXJTA-NEPJUHHUSA-N 311.769 -0.087 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCn3c(cnc3C)C2)C1 1083781914 ZWBJLLLKRWULIJ-IMJJTQAJSA-N 316.405 -0.061 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](NC(=O)c2ccc(C(N)=O)[nH]2)C1 1083784999 ZCSJJXMPFVHRJW-OLZOCXBDSA-N 306.366 -0.145 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)[C@H]2COc3ccccc3O2)C1 1084022525 LJUFQALLRDOBJV-UHIISALHSA-N 303.318 -0.489 30 20 DBED C=CCN1CC[C@H]1CN(C)C(=O)C1CC2(C1)NC(=O)NC2=O 1085868585 UGVOIHYCDLJIIG-VTWZXRTESA-N 306.366 -0.307 30 20 DBED C#CCCN1CC[C@H](NC(=O)[C@H]2COCCN2C(C)=O)[C@H]1C 1089048847 HTYOWNZENDIGHB-VHDGCEQUSA-N 307.394 -0.164 30 20 DBED COCCOCC(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1O 1090404369 MSZHAXLZYRJPDG-CHWSQXEVSA-N 320.349 -0.718 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2c(C)nn(C)c2OC)[C@H](O)C1 1090614908 CFLFTPACNITXSB-QWHCGFSZSA-N 320.393 -0.075 30 20 DBED C=CCCN1CC[C@@H](NC(=O)c2cc(C(N)=O)ccn2)[C@@H](O)C1 1090859496 WXNGLJCAOIVJTG-OCCSQVGLSA-N 318.377 -0.078 30 20 DBED COC[C@H](OC)C(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@@H]1O 1091177171 FADFMLGIFYCWSJ-AGIUHOORSA-N 320.349 -0.720 30 20 DBED CCc1nc(C#N)cc(N2CC[C@H](NC(=O)COC)[C@@H](O)C2)n1 1092126453 MTWGVTWBFQZNAH-RYUDHWBXSA-N 319.365 -0.387 30 20 DBED N#Cc1cccnc1NC1CC(CNC(=O)CNC(N)=O)C1 1092190141 ZRCKYVQTZXSEOQ-UHFFFAOYSA-N 302.338 -0.072 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC2(CCC(NCC(N)=O)CC2)C1 1093391540 VQGJCLYCDVGEEL-BZUNDVKYSA-N 308.382 -0.239 30 20 DBED N#CCN1CC(OC2CCN(C(=O)[C@@H]3CCCNC3=O)CC2)C1 1093545215 YZXDOUHCEPSMNZ-CQSZACIVSA-N 320.393 -0.272 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)Cc3n[nH]c(C)n3)CC2=O)C1 1094733116 GCDMFDBJIGSFKD-LLVKDONJSA-N 318.381 -0.757 30 20 DBED C=CCCN1CC(N2C[C@@H](NC(=O)[C@H]3CCNC3=O)CC2=O)C1 1094768226 RMXAXTYADAYPRX-AAEUAGOBSA-N 320.393 -0.900 30 20 DBED C#CCCN1CC(N2C[C@@H](NC(=O)Cc3cnc[nH]3)CC2=O)C1 1094794376 XOZGZPDEMLSSRN-ZDUSSCGKSA-N 315.377 -0.623 30 20 DBED CN(CCCNC(=O)c1nccnc1N)c1ccnc(C#N)n1 1095516088 JOYVGATWZZPPBT-UHFFFAOYSA-N 312.337 -0.023 30 20 DBED C=CCOCC(=O)N[C@H]1CCCN(c2ccc3nnnn3n2)C1 1096155268 GFNMCCBFPXFZNH-NSHDSACASA-N 317.353 -0.193 30 20 DBED CCn1nncc1C(=O)NC[C@H](C)N=c1cc[nH]c(C#N)n1 1097810392 NQNCWSXWOFCHIS-VIFPVBQESA-N 300.326 -0.388 30 20 DBED Cc1nsc(N[C@@H](C)CNC(=O)Cn2ncnn2)c1C#N 1098084614 PJUBSURGLBMHAX-ZETCQYMHSA-N 306.355 -0.074 30 20 DBED C#CCN(CCO)C1CCN(C(=O)CCc2cnn(C)n2)CC1 1098479956 IQUITGCDYBXERE-UHFFFAOYSA-N 319.409 -0.334 30 20 DBED C[C@@H](CCNC(=O)[C@@]1(C)CCNC1=O)N=c1cc[nH]c(C#N)n1 1099687862 GGDUYUPESCLDNI-ZUZCIYMTSA-N 316.365 -0.397 30 20 DBED O=C(C#CC1CC1)N[C@H]1CCN(CC(=O)N2CCCC2)C[C@@H]1O 1099823565 FMGACBMOPLUKIZ-GJZGRUSLSA-N 319.405 -0.426 30 20 DBED Cc1occc(=O)c1OCC(=O)N[C@H]1CCN(CC#N)C[C@@H]1O 1099916829 UJEINZSNMXWYIE-AAEUAGOBSA-N 321.333 -0.598 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)CCCF)[C@H](O)C1 1099952616 WGQKDSUCFBCJOL-VXGBXAGGSA-N 301.362 -0.410 30 20 DBED CCC(C)(C)C(=O)N[C@@H]1CCN(CC(=O)NCC#N)C[C@H]1O 1099981337 NSYHBYRQWZELRV-VXGBXAGGSA-N 310.398 -0.386 30 20 DBED C#CCN1CC[C@H](NC(=O)COC2CCN(C)CC2)[C@@H](O)C1 1100056061 NTTCYDIYQTVQLQ-GJZGRUSLSA-N 309.410 -0.718 30 20 DBED C=CCN1CC[C@H](NC(=O)CN(C)S(=O)(=O)CC)[C@@H](O)C1 1100057042 CBBQEYADFQNTTD-RYUDHWBXSA-N 319.427 -0.995 30 20 DBED CN(CCNC(=O)c1ccn(C)c(=O)c1)c1nccnc1C#N 1100400295 WMQFQBVILZMFIV-UHFFFAOYSA-N 312.333 -0.087 30 20 DBED Cc1nc(O)[nH]c1C(=O)NCC1CC(NCC(=O)NCC#N)C1 1100425347 CKEUYUZVSPPZSI-UHFFFAOYSA-N 320.353 -0.839 30 20 DBED C#CCNCc1cn(C2CN(C(=O)Cc3cncnc3)C2)nn1 1105223969 QQWXSSXGBIULJA-UHFFFAOYSA-N 311.349 -0.583 30 20 DBED C[C@@H]1OCC[C@@H]1C(=O)N1CC(n2cc(CNCC#N)nn2)C1 1105349925 SZHBUYLKVIGCFT-GWCFXTLKSA-N 304.354 -0.300 30 20 DBED CN(CCN(C)c1nccnc1C#N)C(=O)[C@@H]1COCCN1C 1105373022 ISTAVZVQUNVOEJ-ZDUSSCGKSA-N 318.381 -0.427 30 20 DBED C[C@@H](CC(=O)N(C)CCN(C)c1ccc(C#N)nn1)NC(N)=O 1105472748 GDTJUBKFNOGKLZ-JTQLQIEISA-N 319.369 -0.310 30 20 DBED N#Cc1ccc(NC[C@@H]2CCC[C@@H]2NC(=O)CC(N)=O)nn1 1105651047 IRRNEDUKEIMZRH-ONGXEEELSA-N 302.338 -0.080 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H](O)CNc1ncccc1C#N 1105970497 IMNWLKRGTHBCFH-YPMHNXCESA-N 302.334 -0.119 30 20 DBED CCn1ccc(C(=O)NC[C@@H](O)CN=c2cc[nH]cc2C#N)n1 1105982079 IXRNQSZGBQWOIV-LBPRGKRZSA-N 314.349 -0.206 30 20 DBED C[C@@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)[C@H](C)n1cncn1 1106278460 VYMJOQAYPNICQH-QWRGUYRKSA-N 314.353 -0.070 30 20 DBED C#CCN1CC(n2cc(CNC(=O)CN3CCC[C@@H]3C)nn2)C1 1107209746 YKXPBSJZXQDTDK-ZDUSSCGKSA-N 316.409 -0.132 30 20 DBED COCC#CCN1CCO[C@](C)(CNC(=O)[C@H]2CCN(C)C2)C1 1108395409 RTSZPPJGBAFWBG-DOTOQJQBSA-N 323.437 -0.205 30 20 DBED C[C@@H](CNc1nccnc1C#N)NC(=O)[C@H](C)S(C)(=O)=O 1108773695 KXDCNUGGUOQBCZ-IUCAKERBSA-N 311.367 -0.302 30 20 DBED C[C@H](CN(C)c1ccc(C#N)cn1)NC(=O)[C@H]1CNC(=O)N1 1109210611 DIGMAWNPUWAOLJ-MWLCHTKSSA-N 302.338 -0.424 30 20 DBED Cc1cc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)CNC(N)=O)c(C#N)cn1 1109679866 PCSFOECIXLJXMH-LJWDBELGSA-N 314.349 -0.377 30 20 DBED CC(=O)N(C)CC(=O)NCC1(N=c2cc[nH]cc2C#N)CC1 1110065652 SGPNNOHMMBUMNL-UHFFFAOYSA-N 301.350 -0.086 30 20 DBED CC(=O)N[C@@H](C)C(=O)N[C@@]1(C)CCN(c2nccnc2C#N)C1 1110716437 BITWRZAACPUYCE-BONVTDFDSA-N 316.365 -0.042 30 20 DBED COC[C@@H](OC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1111000294 FBFXRVHMIRRNSD-FVCCEPFGSA-N 324.381 -0.991 30 20 DBED N#Cc1nccnc1NCCN(CCO)C(=O)c1cccnn1 1111501400 ZWFJEJLTECGZRA-UHFFFAOYSA-N 313.321 -0.315 30 20 DBED C[C@H](C#N)C(=O)N[C@]12CCC[C@H]1CN(Cc1nnn(C)n1)C2 1111666940 PMFZVEMYEXHBLZ-SUNKGSAMSA-N 303.370 -0.160 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)C[C@H]2COC(=O)C2)CC1 1112767620 YWJRLHUTZXEVBQ-CHWSQXEVSA-N 321.377 -0.778 30 20 DBED COCC#CCN1CCN(C(=O)c2cccc(=O)n2C)CC1 1113332596 BDZTXLSXKOXIIR-UHFFFAOYSA-N 303.362 -0.207 30 20 DBED C=CCNC(=O)NC(=O)CN1C[C@H]2[C@H](NC(=O)COCC)[C@H]2C1 1113823535 XKNQTIHVBDOIOA-YABSGUDNSA-N 324.381 -0.919 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)C3(N(C)C)CCC3)[C@@H]2C1 1114400313 FKAOAJUITSDNRB-CHWSQXEVSA-N 320.437 -0.181 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)c3c(C)ncn3C)[C@@H]2C1 1114431439 PKMWNECQVPQEGR-VXGBXAGGSA-N 315.377 -0.862 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1[C@@H]2CN(c3nccn4nnnc34)C[C@H]12 1114525929 SOPHHJQPPJWAMK-DBIOUOCHSA-N 312.337 -0.523 30 20 DBED CNC(=O)CC(=O)NCC1[C@H]2CN(c3ccc(C#N)cn3)C[C@H]12 1114530941 STBFEIXVVYYNGA-CHWSQXEVSA-N 313.361 -0.112 30 20 DBED COCCOCC(=O)N[C@H]1C[C@H](CN=c2cc[nH]c(C#N)n2)C1 1114749919 SVEFCTJYQMZTJU-HAQNSBGRSA-N 319.365 -0.260 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)c3ccn(CC)n3)[C@@H]2C1 1114921673 QQPVXGLERKZZQS-VXGBXAGGSA-N 315.377 -0.688 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)c3cccnn3)[C@H]2C1 1115007979 SGTGHTAAKMSTNF-CIQGVGRVSA-N 313.361 -0.726 30 20 DBED CO[C@H](C)C(=O)NCCOCCN(C)c1ccc(C#N)nn1 1115183433 LWXLMTYPCUWQAV-LLVKDONJSA-N 307.354 -0.048 30 20 DBED C=CCCCNC(=O)C(=O)N1CC[C@@H](S(=O)(=O)NC)C1 1117543568 LOHHZBGKQYBEFX-SNVBAGLBSA-N 303.384 -0.781 30 20 DBED COCC(=O)N1CCC[C@@H]([C@H]2CCCN2CC(=O)NCC#N)C1 1120279098 DUSZIWNLUMDHFA-ZIAGYGMSSA-N 322.409 -0.024 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)C2=COCCO2)nc1 1121011394 WTOZLNOJAYNKLB-NSHDSACASA-N 304.306 -0.270 30 20 DBED Cc1ncc(C(=O)NC[C@H](CO)N=c2cc[nH]c(C#N)n2)s1 1121170881 DQTXYXOYCSELIF-SECBINFHSA-N 318.362 -0.262 30 20 DBED N#Cc1cnc(N[C@@H](CO)CNC(=O)c2ncccc2O)cn1 1121339513 KQNXNAJAMXRHCG-SNVBAGLBSA-N 314.305 -0.348 30 20 DBED Cn1ccc(CC(=O)NC[C@H](CO)Nc2cncc(C#N)n2)n1 1121480046 IOYQAKGJCLTOPC-GFCCVEGCSA-N 315.337 -0.787 30 20 DBED N#Cc1cncc(N[C@H](CO)CNC(=O)CN2CCCC2)n1 1121580068 DOVJJNRYBXTTLU-LBPRGKRZSA-N 304.354 -0.667 30 20 DBED CCn1ccc(C(=O)NC[C@H](CO)Nc2cnc(C#N)cn2)n1 1122053186 VHHAEYMTLRSDHY-LLVKDONJSA-N 315.337 -0.233 30 20 DBED COCC1(C(=O)NC[C@H](CO)Nc2ccc(C#N)nn2)CC1 1122246668 UCXXYQMNLXUEJT-LLVKDONJSA-N 305.338 -0.336 30 20 DBED Cc1cc(=N[C@H](CO)CNC(=O)c2n[nH]cc2F)c(C#N)c[nH]1 1122493838 JBAZVOXXJSGXAQ-JTQLQIEISA-N 318.312 -0.251 30 20 DBED CN(C)CC1(C(=O)NC[C@H](CO)Nc2cncc(C#N)n2)CC1 1122507722 FQFNYJZOUIFYJF-GFCCVEGCSA-N 318.381 -0.421 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]cc1C#N)C(=O)C1=CCOCC1 1124256365 JKGZOMZBIMVWGP-AWEZNQCLSA-N 316.361 -0.047 30 20 DBED C[C@H](C#N)C(=O)NCCNCc1nnnn1C1CCOCC1 1124897765 VOJNVONZAZSQFO-SNVBAGLBSA-N 307.358 -0.610 30 20 DBED C[C@@H](C#N)C(=O)NCCNCC(=O)N(C)Cc1cnn(C)c1 1124904322 YYFWRBBTYVVHEG-NSHDSACASA-N 306.370 -0.756 30 20 DBED C=CCCC(=O)N[C@@H]1CN(CC(=O)N(C)C)C[C@@H]1n1ccnn1 1128807060 KHOGFIFMYRPVBW-OLZOCXBDSA-N 320.397 -0.326 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@H](OCC)[C@@H]1CCOC1 1131885159 SSLNVHAWPSOBRG-TZMCWYRMSA-N 313.398 -0.564 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)CCCC(N)=O)CC[C@H]1C 1132537069 MCCZDJSHURLUPL-OLZOCXBDSA-N 324.425 -0.087 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CCCc2nn[nH]c21 1132997719 KVNAAJFMMYLNFN-WDEREUQCSA-N 318.381 -0.932 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCCN[C@@H](C)C(=O)NC(=O)NC 1134062113 SAVQOACXOHLFOP-AXFHLTTASA-N 312.370 -0.873 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)C[C@@H](C)NCc1n[nH]c(C)n1 1134131018 PLAFEUIGNIWFHJ-GHMZBOCLSA-N 320.397 -0.374 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1cn(C(C)C)nn1 1135994047 CNOBVPTXYGKWPB-NSHDSACASA-N 306.370 -0.684 30 20 DBED C[C@@H](C[C@@H](C)NCC(=O)NCC#N)NC(=O)CN1CCCC1 1146336305 ATKJSDBJZFVJQJ-OLZOCXBDSA-N 309.414 -0.405 30 20 DBED C=CCNC(=O)CN1CCC2(C1)CN(C(=O)[C@@H]1CCOC1)C2 1147133525 ZJEYPNWZNRPXNF-CYBMUJFWSA-N 307.394 -0.141 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(CC(=O)NCC)CCCO1 1149383286 DOUKQSZVQNSOII-CYBMUJFWSA-N 313.398 -0.468 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CN(CCN2CCNC2=O)CCCO1 1149405924 FZSHWTREWVSOJI-STQMWFEESA-N 323.397 -0.622 30 20 DBED N#Cc1ccc(CNCCNC(=O)[C@H]2CCS(=O)(=O)N2)cc1 1151301693 VWFASOAFWOBTCU-CYBMUJFWSA-N 322.390 -0.544 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)CC(=O)NCC)C1=O 1156862672 NLNRMHOYGDFNHR-GFCCVEGCSA-N 310.398 -0.605 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCCNCCCS(C)(=O)=O 1157202590 UYBHMGDCDRZAST-CYBMUJFWSA-N 306.428 -0.156 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)COc1cnn(C)c1 1164687266 SQMLRPUUSMXBBR-LBPRGKRZSA-N 323.397 -0.415 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)[C@H](CC)NC(C)=O 1167184759 DLVAPSCFQYFUME-YPMHNXCESA-N 310.398 -0.865 30 20 DBED C=CCn1cc(C(=O)NCCCNCCN2CCCC2=O)nn1 1167838367 DVAZEISMVCXIDK-UHFFFAOYSA-N 320.397 -0.204 30 20 DBED C[C@H](CCCCNCC(=O)NCC#N)NC(=O)c1ccnn1C 1169687353 SEBHQDXWERAXQN-GFCCVEGCSA-N 320.397 -0.062 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)c1cccn(C)c1=O 1171544201 RBYIIGOMHNTXSD-LBPRGKRZSA-N 320.393 -0.215 30 20 DBED C=CCNC(=O)CNCCCC[C@H](C)NC(=O)c1nc[nH]n1 1175787314 UGVGKPDPKFEQAE-NSHDSACASA-N 308.386 -0.015 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)c1cncnc1CC 1176241147 TVCRVMFZAPJQGI-GFCCVEGCSA-N 317.393 -0.114 30 20 DBED CCCC(=O)NCC(=O)N1CC[C@H]2OCCN(CC#N)[C@@H]2C1 1176943368 JIJJDEWRFLZLLR-CHWSQXEVSA-N 308.382 -0.272 30 20 DBED C[C@H]1[C@@H](NCc2nc(=O)n(C)[nH]2)CCN1C(=O)CSCC#N 1178148374 UHDNAMMSOSIFHW-UWVGGRQHSA-N 324.410 -0.556 30 20 DBED N#CCNC(=O)CNCCCCCCNC(=O)CN1CCCC1 1180274616 NIAZRXLDSQSMIE-UHFFFAOYSA-N 323.441 -0.012 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)CNC(=O)OC)C1 1181279390 IJXQSSNNAJIRDH-GHMZBOCLSA-N 312.370 -0.776 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2n[nH]c(C)c2O)C1 1182041878 COTMEVNDTBXVKU-WDEREUQCSA-N 319.365 -0.634 30 20 DBED C#CCCNCc1cn([C@@H]2CCCN(C(=O)C(N)=O)C2)nn1 1185993165 WRAFYGHZZQINBP-GFCCVEGCSA-N 304.354 -0.960 30 20 DBED N#CCNC[C@@H]1CN(C(=O)[C@H]2COCCO2)CC12CCOCC2 1186265766 WHIPDEKSVKLHEE-ZIAGYGMSSA-N 323.393 -0.230 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2ccc(O)nc2)C1 1187564893 XYIMSLDRCXYQQL-WCQYABFASA-N 316.361 -0.271 30 20 DBED CC#CCN(C)[C@H]1CCN(C(=O)[C@H](C)NS(=O)(=O)CC)C1 1190277990 DEXPIGPHYGIOKG-STQMWFEESA-N 315.439 -0.130 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)CCCCC(N)=O)C1 1193390596 TZLLQTMJMXFUJF-CYBMUJFWSA-N 322.409 -0.686 30 20 DBED C=CCCN(C)[C@@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 1194060571 MPUUYUKCNAZGPS-VXGBXAGGSA-N 301.412 -0.213 30 20 DBED C=CCNC(=O)[C@@H](C)N(C)[C@@H]1CCN(C(=O)CCCC(N)=O)C1 1194482578 ADCSXVYGAWBACL-CHWSQXEVSA-N 324.425 -0.135 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@@H]3C[C@@H]3C2)C1 1195517616 CKCIUDYIBHRNIR-PEZGRIKUSA-N 319.405 -0.668 30 20 DBED C=C(C)C[C@H](C)C(=O)N[C@@H]1CN(CCOCCO)C[C@H]1O 1195533006 WHECRAFLUIUBIC-BFHYXJOUSA-N 300.399 -0.241 30 20 DBED N#CCNC(=O)CN1CCCN(C(=O)c2n[nH]cc2F)CC1 1197069506 XLNKHKDYNAIAJL-UHFFFAOYSA-N 308.317 -0.664 30 20 DBED C#CCNC(=O)[C@H](C)NC1CCN(C(=O)[C@H](C)NC(C)=O)CC1 1199226319 YJOJWKVLUZZZDQ-RYUDHWBXSA-N 322.409 -0.771 30 20 DBED N#CCNC(=O)CNC[C@H]1CN(C(=O)C2CC=CC2)CCCO1 1200165483 QBBLNNXRMSLVHV-AWEZNQCLSA-N 320.393 -0.201 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)c2nccc(C)n2)CC1 1200341244 QCHWEXUXQNTYKW-UHFFFAOYSA-N 315.377 -0.271 30 20 DBED O=C(C#CC1CC1)N1CCCO[C@@H](CNCC(=O)N2CCC2)C1 1200453200 SSBQOCQVBCYQBX-HNNXBMFYSA-N 319.405 -0.161 30 20 DBED COCC#CCNC1CCN(C(=O)[C@@H]2CC[C@@H]2C(N)=O)CC1 1201959778 QLEPYKBWTUUOJA-UONOGXRCSA-N 307.394 -0.272 30 20 DBED CCS(=O)(=O)NCC(=O)N[C@@H]1C[C@H](NCC#N)C12CCC2 1202996647 SFUMBDZZQFPRDA-WDEREUQCSA-N 314.411 -0.534 30 20 DBED C#CCN[C@H]1C[C@H](NC(=O)CCn2ncn(C)c2=O)C12CCC2 1203221660 LMWAKVSDWSQVTK-STQMWFEESA-N 317.393 -0.378 30 20 DBED COCC#CCN[C@H]1C[C@H]2CC[C@H]1N(C(=O)C1(C(N)=O)CC1)C2 1204670540 ZMOOAIBWDZHYLF-HZSPNIEDSA-N 319.405 -0.129 30 20 DBED C#CCCNCC1CCN(C(=O)CC[C@@H]2NC(=O)NC2=O)CC1 1206917803 ZRSMVDXQJDXIAI-ZDUSSCGKSA-N 320.393 -0.174 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)[C@@H](C)n2cccn2)C1 1207422654 ZZEPXJPBKLUGSR-KGLIPLIRSA-N 317.393 -0.226 30 20 DBED COCC#CCN[C@@H]1CCCN(C(=O)Cn2cnnc2O)C1 1207857244 VOJZASVXDZQSPS-GFCCVEGCSA-N 307.354 -0.786 30 20 DBED CO[C@H](C(=O)N1CCC[C@H](NCC(=O)NCC#N)C1)C1CC1 1207934843 JAIXOJNPQDNXFA-JSGCOSHPSA-N 308.382 -0.368 30 20 DBED COCC#CCN1C[C@@H](NC(=O)c2cn(C)c(=O)cn2)[C@H](C)C1 1208042336 WTGOSTVSZUFDCO-CHWSQXEVSA-N 318.377 -0.520 30 20 DBED C#CCCN[C@@H]1CCCN(C(=O)CS(=O)(=O)CCOC)C1 1208435547 IBIKOEIKNFXZOT-CYBMUJFWSA-N 316.423 -0.349 30 20 DBED C=C(Cl)CN[C@@H]1CCCN(C(=O)CNS(=O)(=O)NC)C1 1208770154 PKDZAMGRTDETEM-SNVBAGLBSA-N 324.834 -0.627 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)c2cnon2)[C@H](C)C1 1209648453 FEBOVHLVTJSEKB-CKYFFXLPSA-N 305.338 -0.742 30 20 DBED CO[C@@H]1CN(Cc2ccn(C)n2)C[C@H]1NC(=O)CSCC#N 1211891996 YBPTWTUIKNQNPV-CHWSQXEVSA-N 323.422 -0.008 30 20 DBED COc1ccc(CN2C[C@@H](NC(=O)[C@H](C)C#N)[C@H](OC)C2)nn1 1212039006 CUHBBWCQQCGOHL-RAIGVLPGSA-N 319.365 -0.040 30 20 DBED CC#CCN1C[C@@H](NC(=O)CNC(=O)C2CCC2)[C@H](OC)C1 1213914725 UGLSFWYNMVQOAS-ZIAGYGMSSA-N 307.394 -0.259 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)CCC(=O)NCC)C[C@H]1C 1214322799 WROCBXKYGNFPMG-CHWSQXEVSA-N 322.409 -0.911 30 20 DBED C#CCCN[C@@H]1CN(C(=O)[C@H](C)NS(C)(=O)=O)C[C@H]1C 1215684940 JOKRPJBWVUNFNF-GRYCIOLGSA-N 301.412 -0.616 30 20 DBED C[C@H](NC(=O)C(C)(C)C)C(=O)N1CCO[C@@H]2CN(CC#N)C[C@@H]21 1218414554 MBGKGEAAJCKAFD-RWMBFGLXSA-N 322.409 -0.028 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CN(C[C@H]2CCc3ncnn32)C[C@@H]1O 1219593260 JPBFAILOVQQDTK-MCIONIFRSA-N 315.377 -0.660 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@]2(C)C=CCC2)C1 1220145234 XLHAPFSPGZSNCU-DVOMOZLQSA-N 307.394 -0.194 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@@H](CC(C)C)NC(C)=O)C1 1220813918 NIZOWDCKAAQXSC-KFWWJZLASA-N 309.410 -0.278 30 20 DBED COC[C@H](C)C(=O)NCC1CCN(CC(=O)NCC#N)CC1 1222618792 DEFXCCJNKBTPAX-LBPRGKRZSA-N 310.398 -0.263 30 20 DBED Cn1cnn(CCC(=O)NCC2CCN(CC#N)CC2)c1=O 1223929092 PHXNCKNFGLCRDK-UHFFFAOYSA-N 306.370 -0.676 30 20 DBED C=CCOCC(=O)NC1CCN([C@@H]2CCC(=O)NC2=O)CC1 1226599530 YEARXOHCLBIPTQ-GFCCVEGCSA-N 309.366 -0.425 30 20 DBED C=C(C)CN(CC)C(=O)CN1CCC(NC(=O)CC(N)=O)CC1 1226708318 NAEUNFMDSQPKAW-UHFFFAOYSA-N 324.425 -0.133 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)Cc2cccnc2)CC1 1226877343 VQPGJDMDGBKBRK-UHFFFAOYSA-N 314.389 -0.046 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC(NC(=O)c2cnnn2C)CC1 1227132319 YZUJPLAHYHFODD-NSHDSACASA-N 318.381 -0.853 30 20 DBED C#CCNC(=O)CC(=O)N(C)C[C@H]1CCN1CC#CCOC 1233808913 FBQDMUFYHFZYTG-CQSZACIVSA-N 305.378 -0.692 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)C(=O)N(CCCCO)C2CC2)C1 1261484942 NJWTVUJMJPSOTC-OAHLLOKOSA-N 309.366 -0.373 30 20 DBED C#CCN(C(=O)C(=O)N1CCN(c2cnccn2)CC1)C(C)C 1262534349 CPSOTLPMZFTLFC-UHFFFAOYSA-N 315.377 -0.005 30 20 DBED N#CCC1CCN(C(=O)C(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)CC1 1323584054 GTGJNINYSJJLDT-NWDGAFQWSA-N 322.365 -0.712 30 20 DBED CC(C)(C)n1ncnc1CNC(=O)C(=O)N1CCO[C@H](C#N)C1 1325857226 IDSPLBWEPPPAKG-SNVBAGLBSA-N 320.353 -0.600 30 20 DBED C#CCSCCNC(=O)C(=O)NCc1cccc(C(N)=O)c1 1327521490 NULXFPJDKPMFKR-UHFFFAOYSA-N 319.386 -0.116 30 20 DBED CN(CC1(N(C)C)CCC1)C(=O)C(=O)N1CCO[C@H](C#N)C1 1328384194 HNCSYVJXUFUFCQ-GFCCVEGCSA-N 308.382 -0.320 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CC=C(COC)CC2)nn1 1329221050 ABRFJUWJQUKQDF-UHFFFAOYSA-N 319.365 -0.115 30 20 DBED C[C@H](NC(=O)C(=O)Nc1cccc(C#N)n1)C(=O)NCCF 1329297863 FVFGHNCXNNOEJK-QMMMGPOBSA-N 307.285 -0.518 30 20 DBED N#Cc1cccc(NC(=O)C(=O)NCC(=O)NCC2CC2)n1 1329300772 VZFONEIQXUTPTR-UHFFFAOYSA-N 301.306 -0.466 30 20 DBED N#CCN1CCC(NS(=O)(=O)N2CCCOCC2)CC1 1329647333 PURBLQNJJVAFIR-UHFFFAOYSA-N 302.400 -0.469 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N1CC[C@H](n2cncn2)C1 1330495569 KHOWQIKHIFQKBH-ZDUSSCGKSA-N 319.365 -0.450 30 20 DBED CCO[C@H]1C[C@@H](NC(=O)C(=O)N2CCN(CCC#N)CC2)C1 1332766590 PUZASHYCAQVCEY-BETUJISGSA-N 308.382 -0.272 30 20 DBED CCO[C@H]1C[C@@H](NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1 1336152257 ZNCSCIUUMYFHCS-BNOWGMLFSA-N 320.393 -0.131 30 20 DBED C=CC[C@@H](NC(=O)[C@@]1(OC)CCS(=O)(=O)C1)C(=O)OCC 1339407928 GHVHHHYZCDALRH-ZWNOBZJWSA-N 319.379 -0.186 30 20 DBED C#CCSCCNC(=O)C(=O)N[C@H]1CCN(C(=O)CC)C1 1342540307 LGEPEJAZKCJWFI-NSHDSACASA-N 311.407 -0.404 30 20 DBED CN1CCC(CN(C)C(=O)C(=O)N2CC[C@](O)(CC#N)C2)CC1 1345966051 OKMIWRBQAJVNLB-MRXNPFEDSA-N 322.409 -0.336 30 20 DBED CN(C)c1ncc(C=Nn2cnc3c(cnn3C)c2=O)n1C 1347382827 CEMXHYVFFIHEJW-UHFFFAOYSA-N 300.326 -0.188 30 20 DBED C=C(C)Cn1nnnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1354302928 XUSLLPHUVUSUBU-UHFFFAOYSA-N 305.342 -0.230 30 20 DBED N#Cc1cnn(-c2ccc(C(=O)N3CC(C(N)=O)C3)cc2)c1N 1363198718 UOPISYKQOIYSGE-UHFFFAOYSA-N 310.317 -0.117 30 20 DBED CN(Cc1cccc(O)n1)c1c(C#N)c(=O)n(C)c(=O)n1C 1363748050 GHNMFTODCICYBO-UHFFFAOYSA-N 301.306 -0.307 30 20 DBED CCS(=O)(=O)CC(=O)N1CC(NC(=O)c2cc(C#N)c[nH]2)C1 1374622845 SITXFAVZJNNXIH-UHFFFAOYSA-N 324.362 -0.738 30 20 DBED C[C@H](C#N)C(=O)N1CC(NC(=O)C2(NC(N)=O)CCCCC2)C1 1374642346 NYTPWGDFYYPALO-SNVBAGLBSA-N 321.381 -0.156 30 20 DBED CC(=O)N(C)CC(=O)N[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 1385596345 DURCSVDMGQHIFD-GFCCVEGCSA-N 317.349 -0.305 30 20 DBED CCc1noc(COCC(=O)N[C@H](C)CNC(=O)[C@H](C)C#N)n1 1387081758 BCUHQCKLTHVCPE-NXEZZACHSA-N 323.353 -0.071 30 20 DBED C[C@H](C#N)C(=O)N(C)C[C@@H]1CCN(C(=O)CCNC(N)=O)C1 1387616190 DVGRTKNJVHHETJ-MNOVXSKESA-N 309.370 -0.489 30 20 DBED Cc1ccn(CC(=O)NCCN(C)C(=O)[C@@H](C)C#N)c(=O)c1 1387742152 SBVGVGLECBNBJZ-LBPRGKRZSA-N 304.350 -0.109 30 20 DBED CC[C@H](CNC(=O)CNC(=O)NC)NC(=O)c1cc(C#N)c[nH]1 1388099546 GQLIVFRVMVQKSP-SNVBAGLBSA-N 320.353 -0.560 30 20 DBED C[C@@H](CNC(=O)[C@@H](C)C#N)NC(=O)CNC(=O)N1CCCC1 1389359403 YJABWOYURPJZPL-QWRGUYRKSA-N 309.370 -0.428 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCN(C)C(=O)c1cn(C)c(=O)nc1O 1391831668 RAONZLBOEDQCIV-VIFPVBQESA-N 321.337 -0.824 30 20 DBED N#Cc1cc(C(=O)NC2(CNC(=O)[C@H]3COCCO3)CC2)c[nH]1 1400533303 OTXNXWJYBSNMOA-GFCCVEGCSA-N 318.333 -0.320 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]1CN(C)C(=O)CCc1cnn[nH]1 1406539342 VRAXNODFFZFGST-PWSUYJOCSA-N 304.354 -0.044 30 20 DBED CCN(CCNC(=O)c1cnnn1C)C(=O)c1c[nH]c(C#N)c1 1408738057 WZJQBHVJQIBVSF-UHFFFAOYSA-N 315.337 -0.093 30 20 DBED COc1ccncc1NC(=O)Cn1cc(C#N)c(O)nc1=O 1412473946 XBZPDYROKCBTMX-UHFFFAOYSA-N 301.262 -0.137 30 20 DBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[C@@H]1CO 1413663478 HVEZQCXTSJQHES-ZYHUDNBSSA-N 323.374 -0.182 30 20 DBED N#Cc1cncc(S(=O)(=O)NC[C@@H]2CCN(C(N)=O)C2)c1 1414303188 SHEJMGYNSCDXFU-VIFPVBQESA-N 309.351 -0.368 30 20 DBED C[C@H](CNC(=O)c1cc(C#N)c[nH]1)CNC(=O)[C@@H]1CCC(=O)N1 1416445137 MHWBDMNWIHHFNL-ONGXEEELSA-N 317.349 -0.353 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1cnc2nccn2c1 1416780415 NENVPQHDUPIBNG-ONGXEEELSA-N 316.321 -0.904 30 20 DBED CN1CCC(NC(=O)CCn2cc(C#N)c(O)nc2=O)CC1 1417599717 GMMBLYMNHNGLES-UHFFFAOYSA-N 305.338 -0.579 30 20 DBED CNC(=O)Cn1nc(NC(=O)Cn2cnc(C#N)n2)cc1C 1417702404 XOQAJMJNJZMOTK-UHFFFAOYSA-N 302.298 -0.961 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CC[C@H](NCc2nc(=O)n(C)[nH]2)CC1 1421603878 OIKRLJULWALTRW-DCAQKATOSA-N 306.370 -0.215 30 20 DBED Cc1cc(NC(=O)CN2CC(O)(CNC(=O)[C@H](C)C#N)C2)on1 1423828718 KXKIAGDPTVCVLZ-SECBINFHSA-N 321.337 -0.756 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CN(C)C(=O)c1ccn(C)c(=O)c1 1425833588 LHHHGZNTUMKOHP-ZYHUDNBSSA-N 320.349 -0.906 30 20 DBED C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)CNC(=O)[C@@H]1COCCO1 1432937545 DKRNDMCYAFYZQW-GWCFXTLKSA-N 320.349 -0.216 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1nccc2[nH]ccc12 1433342017 XVYGNODWSSHDQW-VHSXEESVSA-N 315.333 -0.071 30 20 DBED C[C@H](C#N)C(=O)N(C)CC(C)(C)CNC(=O)[C@H]1COC(=O)N1 1508689752 JXLOITDKWNRYEY-NXEZZACHSA-N 310.354 -0.145 30 20 DBED COc1cc(C(=O)N[C@H]2C[C@H](NC(=O)[C@H](C)C#N)C2)nn1C 1525139697 ANEVWYGMWKTZLV-OPRDCNLKSA-N 305.338 -0.035 30 20 DBED C[C@H](CNC(=O)[C@H](C)C#N)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 1573584633 ZRJWDXSVLFZQDN-HTQZYQBOSA-N 316.325 -0.411 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](C)CN=c1cc[nH]c(-c2nn[nH]n2)n1 1574836653 KAQDJRPLQNYBPP-IUCAKERBSA-N 315.341 -0.598 30 20 DBED C=CC1(CC(=O)N2CCC[C@@H](CS(=O)(=O)NC)C2)CNC1 1574880369 MQIQHSSDQPCWEQ-GFCCVEGCSA-N 315.439 -0.060 30 20 DBED C=CCCn1cc(C(=O)NCCNCCc2cnn[nH]2)nn1 1575100518 ROYAQMXMNOOVGT-UHFFFAOYSA-N 304.358 -0.466 30 20 DBED N#Cc1ccc2c(c1)CCN[C@@H]2C(=O)Nn1ccc(O)nc1=O 1580075190 TUCZWSCUFPCSPR-ZDUSSCGKSA-N 311.301 -0.222 30 20 DBED C=CCO[C@H]1CCN(C(=O)NCCC(=O)NCCC(=O)O)C1 1588850064 VTULMHBKPKPWCJ-NSHDSACASA-N 313.354 -0.046 30 20 DBED N#CCN[C@H]1C[C@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1592678607 DQXHKRUMEHJPSD-CZMCAQCFSA-N 300.326 -0.184 30 20 DBED C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)N1CCC(C#N)(C(=O)O)CC1 1593426962 UUOYNKWRRYEHTR-GXSJLCMTSA-N 323.349 -0.521 30 20 DBED CN1C[C@H](C(=O)O)N(S(=O)(=O)c2cccc(C#N)c2)CC1=O 1598565330 DFDQXRLYRJIVAB-LLVKDONJSA-N 323.330 -0.526 30 20 DBED Cc1cc(C(=O)O)c(NC(=O)C(=O)NCC(=O)NCC#N)s1 1600102616 DXINKMVSZOQXAV-UHFFFAOYSA-N 324.318 -0.551 30 20 DBED N#Cc1sccc1S(=O)(=O)N1CC[C@](O)(C(=O)O)C1 1601135693 KFBYQORAHSWTPH-SNVBAGLBSA-N 302.333 -0.170 30 20 DBED C#CCC[C@H](O)CNS(=O)(=O)c1cncc(-c2nn[nH]n2)c1 1602703739 ZOWXOVQCOCPKAN-JTQLQIEISA-N 322.350 -0.686 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CN(c2ncc(C(=O)O)cn2)C[C@H]1O 1603129755 MDHZVYZHTJUBIN-SZEHBUNVSA-N 305.294 -1.000 30 20 DBED N#Cc1cc(C(=O)N2CCS(=O)(=O)C[C@@H]2CC(=O)O)co1 1608193322 CJFKHNZLUFORKR-VIFPVBQESA-N 312.303 -0.135 30 20 DBED CN(C(=O)COC(=O)C1(S(N)(=O)=O)CC1)C(C)(C)C#N 1647250556 GZSGUOIHCVLKIQ-UHFFFAOYSA-N 303.340 -0.889 30 20 DBED Cc1onc(CC(=O)N[C@H]2CCN(S(C)(=O)=O)C2)c1C#N 1647252057 DNLUSWRSRZCFRY-VIFPVBQESA-N 312.351 -0.453 30 20 DBED CCc1nnc(N2CCO[C@H](C#N)C2)n1Cc1nnn(C)n1 1694755069 YKQVDZAKGLTEKI-SECBINFHSA-N 303.330 -0.859 30 20 DBED C#CCCN1CCC[C@@H](NC(=O)CCS(=O)(=O)N(C)C)C1 1732090789 PZXKEPNKQVAAQS-CYBMUJFWSA-N 315.439 -0.128 30 20 DBED CC#CCN1CC[C@@H](NC(=O)[C@@H](NS(C)(=O)=O)C(C)C)C1 1752401875 YGCUTWQMQCVYFX-OLZOCXBDSA-N 315.439 -0.226 30 20 DBED C=CCNC(=O)[C@H](C)N[C@H]1C[C@@H](NC(=O)c2[nH]c(O)nc2C)C1 1752739912 PLGXLLUDZBAFOZ-GARJFASQSA-N 321.381 -0.035 30 20 DBED Cc1ncccc1CC(=O)N[C@H]1C[C@@H](NCC(=O)NCC#N)C1 1752764866 BVYJFZUMXHAJOZ-OKILXGFUSA-N 315.377 -0.191 30 20 DBED C#CCNC(=O)CNC[C@@H]1CCCN(C(=O)c2ncc[nH]2)C1 1752797733 LXAXYPBLZKHKBR-LBPRGKRZSA-N 303.366 -0.399 30 20 DBED C=CCCN(C)[C@H]1CCCN(C(=O)CNC(=O)CNC(C)=O)C1 1752993414 GFVSFGYHFPRAPH-AWEZNQCLSA-N 324.425 -0.262 30 20 DBED C#CCNC(=O)CN[C@H](C)CCNC(=O)Cn1cncc1C 1753010751 GKTZRDBNNMOWFK-GFCCVEGCSA-N 305.382 -0.575 30 20 DBED C#CCNC(=O)CN(CC)CCNC(=O)[C@H]1C[C@H]2CC[C@H]1O2 1753079711 WQOUPCMQUXSNOV-HZSPNIEDSA-N 307.394 -0.259 30 20 DBED C=CCN1CCC[C@H]1CNC(=O)CN1C(=O)C(=O)N(C)C1=O 1753112679 GCWPUPWPJDAUNH-JTQLQIEISA-N 308.338 -0.826 30 20 DBED C=CCNC(=O)CN1CC[C@@H](CNC(=O)[C@@H]2COCCO2)C1 1753118064 DJQRCZRTMBIERE-STQMWFEESA-N 311.382 -0.858 30 20 DBED C#CCN1CC[C@@H](CNC(=O)[C@@H](NC(=O)COC)C(C)C)C1 1753136701 ZSAFEZYLJWWNDI-ZFWWWQNUSA-N 309.410 -0.155 30 20 DBED CCNC(=O)NC(=O)CN[C@@H](CC)CNC(=O)C#CC(C)C 1753471127 GNMGRIFKCVWZPK-LBPRGKRZSA-N 310.398 -0.024 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H](CC)CNC(=O)c1ccncn1 1753490610 AVCYJZDBRAGWQU-NEPJUHHUSA-N 303.366 -0.288 30 20 DBED C[C@@H](CNCCN1C(=O)CNC1=O)NC(=O)c1c[nH]c(C#N)c1 1754264373 UILAESNFVKKSLL-VIFPVBQESA-N 318.337 -0.854 30 20 DBED N#CCNC(=O)CN1CC[C@@H]1CNC(=O)c1cc2c([nH]1)CCC2 1754500862 SMHBKYLZGGVEMU-GFCCVEGCSA-N 315.377 -0.053 30 20 DBED C=CCNC(=O)CN[C@H](C)[C@H](C)NC(=O)c1cc(OC)ncn1 1755254313 OMDOCIXMDPRBJV-MNOVXSKESA-N 321.381 -0.116 30 20 DBED C[C@H](CNC(=O)c1ccc(C#N)[nH]1)N(C)CC(=O)NCC#N 1755297538 YSHPWQBWPNOKLD-SNVBAGLBSA-N 302.338 -0.424 30 20 DBED C#CCNC(=O)CN(C)[C@H](C)CNC(=O)Cc1ccn(C)n1 1755300355 OMZDGBCBYUTPFK-GFCCVEGCSA-N 305.382 -0.852 30 20 DBED C[C@@H](NCC(=O)NCC#N)[C@@H]1CN(C(=O)C#CC2CC2)CCO1 1755441508 GSESBLBNEMWSAZ-OCCSQVGLSA-N 318.377 -0.755 30 20 DBED COCC#CCN[C@@H](C)[C@H]1CN(C(=O)c2ncn(C)n2)CCO1 1755441552 HJCCFXQIIAQZQO-QWHCGFSZSA-N 321.381 -0.716 30 20 DBED C=CCNC(=O)CN[C@@H]1C[C@H](C)N(C(=O)c2nonc2C)C1 1755694083 NNCUTOHQXXAVSI-GXSJLCMTSA-N 307.354 -0.127 30 20 DBED C=CCNC(=O)[C@@H](C)NC[C@H](O)CN(C)C(=O)c1ncc[nH]1 1755777432 JWDGYCDREZMTEE-MNOVXSKESA-N 309.370 -0.877 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H]2CC[C@H]1CN2C(=O)[C@@H](C)OC 1756162745 CBLHPPMMNDKKEI-FRRDWIJNSA-N 321.377 -0.637 30 20 DBED C#CCOCCC(=O)N[C@@H]1C[C@@H](C)N(C(=O)CCCC(N)=O)C1 1756591745 HMCZHUYSDUTCOV-CHWSQXEVSA-N 323.393 -0.213 30 20 DBED C=CCCC(=O)N[C@@H]1CN(C(=O)Cc2n[nH]c(C)n2)C[C@H]1OC 1757120847 OGJJVPIOSCVUDO-VXGBXAGGSA-N 321.381 -0.036 30 20 DBED C[C@H](OC(=O)C1(C#N)CCC1)C(=O)N[C@H]1CCS(=O)(=O)C1 1771675677 MMJXCFYEMFNSII-UWVGGRQHSA-N 314.363 -0.085 30 20 DBED N#CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc[nH]1)C2 1795077970 GTILQGMNLAQMIG-DDFAGTSDSA-N 303.322 -0.473 30 20 DBED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN(C)C)C2 1802020099 PBDBMGRNYNRIRC-XOIINTDNSA-N 321.421 -0.059 30 20 DBED CN[C@H](CC(=O)N1CC2(CCCN2C(=O)CC#N)C1)C(=O)O 1842621879 NDSBULRTGWBWOU-SNVBAGLBSA-N 308.338 -0.834 30 20 DBED N#CCCC(=O)N1CC2(CCCN2C(=O)Cn2cnnn2)C1 1843083388 VKANSCKIVCCRSA-UHFFFAOYSA-N 303.326 -0.820 30 20 DBED CC(C)(C)[C@@H](O)C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846194487 JKQMRWWJDYOEKY-ZDUSSCGKSA-N 322.361 -0.315 30 20 DBED CN(C)CCC(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846195143 HFOCLMHFUVIJNE-UHFFFAOYSA-N 307.350 -0.771 30 20 DBED C=CCSCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(O)O 1847448758 YHYJGXRRNVUFTB-UWVGGRQHSA-N 300.380 -0.582 30 20 DBED N#CCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(O)ncn1 1847890270 RQUNFMFRMVRECP-QWRGUYRKSA-N 301.306 -0.089 30 20 DBED Cc1nnc(SCC(=O)N[C@](C)(C#N)C2CC2)n(N)c1=O 5994653 SOUICNULFJQROA-GFCCVEGCSA-N 308.367 -0.439 30 20 DBED C#CCNC(=O)COC(=O)c1ccccc1NS(C)(=O)=O 7026735 LDVGCRPMRDNIIQ-UHFFFAOYSA-N 310.331 -0.036 30 20 DBED C=CC/N=C(/NCC(=O)N(C)C)N[C@H]1CCc2nc(C)nn2C1 262258035 DFSGKFZOMKKUHR-LBPRGKRZSA-N 319.413 -0.289 30 20 DBED N#CCN(CC#N)C(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1 263896423 ADPIYXUVLZRLCJ-LLVKDONJSA-N 305.319 -0.408 30 20 DBED N#C[C@H]1CN(C[C@H](O)CN2C(=O)c3ccccc3C2=O)CCO1 264402061 PFMHUXHNSZJJIY-RYUDHWBXSA-N 315.329 -0.132 30 20 DBED C#CCCN1CCN(C(=O)[C@@H](NC(=O)C2CC2)[C@@H](C)O)CC1 272449490 NHEMWOXENBEVCG-OCCSQVGLSA-N 307.394 -0.571 30 20 DBED C#CCOc1ccccc1NC(=O)CNC(=O)CNC(C)=O 274870115 VPGBODCQHARFCU-UHFFFAOYSA-N 303.318 -0.111 30 20 DBED N#Cc1ccc(NC(=O)C(=O)N2C[C@H](O)[C@H](O)C2)cc1Cl 277569182 QIABHHULXNMBNQ-PHIMTYICSA-N 309.709 -0.286 30 20 DBED C=CC[C@@H](CC)NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 281696603 ZIGQHJJHCZBGKD-SECBINFHSA-N 301.368 -0.283 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)[C@H](C)NS(C)(=O)=O)C1=O 281773669 RBANJMAGAXTGIA-UWVGGRQHSA-N 303.384 -0.831 30 20 DBED C=C[C@@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C 290504711 GHTYPHKSFAEZCM-IUCAKERBSA-N 301.343 -0.582 30 20 DBED CC(=O)NC[C@@H]1CN([C@H](C)C(=O)N/C(O)=N/C(C)C)CCO1 330848906 YTWGKHPHYJKDED-ZYHUDNBSSA-N 314.386 -0.350 30 20 DBED C[C@H](/N=C(/O)c1ccn(C)c1)C(=O)N1CCS(=O)(=O)CC1 331063371 VUHHLLHEFSHNJQ-JTQLQIEISA-N 313.379 -0.025 30 20 DBED COC(=O)[C@@H]1[C@H](O)CCCN1CC(=O)N[C@@](C)(C#N)C1CC1 331961335 ZWMQNTGTEWTZMU-ZLDLUXBVSA-N 309.366 -0.207 30 20 DBED Cn1c(N2CCC([C@H]3CCCN3)CC2)c(C#N)c(=O)n(C)c1=O 333584046 ULDOSGVRIQSPGP-CYBMUJFWSA-N 317.393 -0.076 30 20 DBED N#C[C@H]1CN(S(=O)(=O)N2CC[C@@H](N3CC=CC3)C2)CCO1 337095081 PSXOVECBEDBJLN-OLZOCXBDSA-N 312.395 -0.598 30 20 DBED C[C@@H]1CN(S(=O)(=O)CCCCC#N)CCN1S(C)(=O)=O 345256602 PXGQHKFQPAZZBT-LLVKDONJSA-N 323.440 -0.024 30 20 DBED C=CCCCCNC(=O)C(=O)NCC1CN(S(C)(=O)=O)C1 346642963 MVPQCLKSGXMANG-UHFFFAOYSA-N 317.411 -0.534 30 20 DBED C=CCOC[C@H]1NC(=O)N(CCS(=O)(=O)N(C)C)C1=O 348976589 QDOFEGLRMHYCJE-SECBINFHSA-N 305.356 -0.999 30 20 DBED N#CC1(C(=O)N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CCC1 371018298 LIYNWFADKPNQOQ-CYBMUJFWSA-N 320.393 -0.270 30 20 DBED C=CC[C@H](NC(=O)N[C@H]1CCN(S(C)(=O)=O)C1)C(=O)O 400176126 DNMCJPNSVFNEKR-IUCAKERBSA-N 305.356 -0.651 30 20 DBED COC(=O)[C@H](CC1CC1)NS(=O)(=O)N1CCO[C@H](C#N)C1 416598122 ZLBIDLUKCNQCRD-MNOVXSKESA-N 317.367 -0.613 30 20 DBED C=CCCn1cc(C(=O)NCCCN2CCC[C@@H]2C(N)=O)nn1 424665503 QSGXCGLUTHRQHK-CYBMUJFWSA-N 320.397 -0.076 30 20 DBED Cc1c(C#N)cccc1NC(=O)C(=O)NC[C@@H](C)S(N)(=O)=O 442348801 LLXVTXDNAOUGPG-MRVPVSSYSA-N 324.362 -0.402 30 20 DBED C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC1(C#N)CCC1 445910653 UNGMCFHUTIREEB-SECBINFHSA-N 311.367 -0.351 30 20 DBED N#Cc1cnc(N2CCN3C(=O)[C@H](N)C[C@H]3C2)c([N+](=O)[O-])c1 565232445 GZGGPDYVFHFZMG-VHSXEESVSA-N 302.294 -0.390 30 20 DBED N#CC1(CNC(=O)N2CCS(=O)(=O)[C@H](C(=O)O)C2)CC1 568621567 VBAONZVLMZFRJO-QMMMGPOBSA-N 301.324 -0.817 30 20 DBED CCN1CCN(C(=O)C(=O)Nc2cccc(C#N)n2)[C@@H](C)C1=O 578069252 XJNTWZSEIANBFZ-JTQLQIEISA-N 315.333 -0.029 30 20 DBED COCCOCCNCCS(=O)(=O)c1ccc(C#N)cn1 578797909 BNDJFFNARQGGAK-UHFFFAOYSA-N 313.379 -0.020 30 20 DBED C=C[C@@H]1OCC[C@H]1NC(=O)N1CCN(CC(=O)NC2CC2)CC1 583550526 SSZSLFIARIGGDO-KGLIPLIRSA-N 322.409 -0.064 30 20 DBED CC#CC[C@H](CO)NC(=O)C1CCN(S(=O)(=O)CC)CC1 649192184 BFXQUSVFVOOZMY-CYBMUJFWSA-N 316.423 -0.061 30 20 DBED CC[C@@H](CC#N)N[C@@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O 653757462 VBIXYSKXXPVIIE-IUCAKERBSA-N 307.354 -0.481 30 20 DBED C#CCCCS(=O)(=O)N1CCN(S(=O)(=O)N(C)C)CC1 710069657 KXZBIVYUJJRXOG-UHFFFAOYSA-N 323.440 -0.846 30 20 DBED N#Cc1cc(F)cc(S(=O)(=O)NC[C@H](O)CC(=O)O)c1 718534280 SUVAIMXTRJKDFR-SECBINFHSA-N 302.283 -0.189 30 20 DBED Cc1nc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)n[nH]1 728703051 GYVDMBVJTBNVDD-UHFFFAOYSA-N 320.334 -0.210 30 20 DBED NC(=O)CNC(=S)NN=C1C(=O)Nc2cccc(Cl)c21 731929930 MVXYXGSCWKKTFV-UHFFFAOYSA-N 311.754 -0.054 30 20 DBED C#CCNS(=O)(=O)N1CCN(Cc2cnc(C)cn2)CC1 761022638 BKLUXRXWRDLUCT-UHFFFAOYSA-N 309.395 -0.630 30 20 DBED C=C(Br)CNC(=O)N1CC[C@H](S(N)(=O)=O)C1 770362542 WYVSXEPOTPCMKE-ZETCQYMHSA-N 312.189 -0.033 30 20 DBED COCCCNC(=O)C(=O)NCCNc1ncccc1C#N 774491484 ODXMCUMAURDLNW-UHFFFAOYSA-N 305.338 -0.366 30 20 DBED CC(C)[C@@H](F)C(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1 784508788 DBHZRXOMJKRJAQ-NXEZZACHSA-N 304.343 -0.054 30 20 DBED N#CC1(CNC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)CC1 797779544 IYTSJMLBFVDSDU-UHFFFAOYSA-N 306.347 -0.096 30 20 DBED CC#CC(=O)N[C@H](Cc1ccccc1)C(=O)NCCC(N)=O 801169321 UABUKNJISCCFDJ-CYBMUJFWSA-N 301.346 -0.271 30 20 DBED C#C[C@@H](NC(=O)C1(S(C)(=O)=O)CCOCC1)[C@@H]1CCCO1 816177207 UVLPNGUUYUIKPO-NEPJUHHUSA-N 315.391 -0.123 30 20 DBED C#CC[C@H](CO)NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 820054621 QZHWQVWGNNYILH-SNVBAGLBSA-N 321.358 -0.775 30 20 DBED C#CCNC(=O)CN1CCN(Cc2nn(CC)nc2C)CC1 823433550 WORUMGXFMSLMDG-UHFFFAOYSA-N 304.398 -0.527 30 20 DBED Cc1nc(C#N)cc(N2CCN(S(=O)(=O)N(C)C)CC2)n1 881794001 LUVDXWKWIMLWAI-UHFFFAOYSA-N 310.383 -0.415 30 20 DBED C#CC1(O)CN(C(=O)NC2CCN(S(=O)(=O)CC)CC2)C1 891756474 QLLLTWIODNGLJV-UHFFFAOYSA-N 315.395 -0.810 30 20 DBED CN(C)CC#CCNC(=O)c1csc(S(N)(=O)=O)c1 913515575 CLMNBPREAQYMKO-UHFFFAOYSA-N 301.393 -0.310 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)[C@@H](C)C1 945182216 PFQRCEGNHFTCNV-NWDGAFQWSA-N 318.381 -0.773 30 20 DBED N#Cc1ccc(C(=O)NC[C@H]2CCN2C(=O)[C@H]2COC(=O)N2)[nH]1 949452083 FVCBJLUVVQIPQY-MWLCHTKSSA-N 317.305 -0.675 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@@H]2CNC(=O)[C@H]2COC(=O)N2)[nH]1 949690472 OHVUIFIKKCAWMK-MWLCHTKSSA-N 317.305 -0.675 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCCN(C(=O)C(N)=O)C1 951859450 YPBVDZJVWQJAPE-SRVKXCTJSA-N 309.366 -0.440 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CN(C(=O)c2cnon2)C1 955366857 YQBUBCOWEHZUQF-PWSUYJOCSA-N 306.322 -0.057 30 20 DBED C#CCN1C[C@H](CNC(=O)c2ccc3c(n2)OCCO3)[C@@H](O)C1 958214534 JAMSGCUURXTUHD-AAEUAGOBSA-N 317.345 -0.492 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2ccncc2)C1 958428605 HCQSJJSGHXBSJD-WXHSDQCUSA-N 302.334 -0.115 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cc2cncnc2)C1 958835075 YORBNHQVHBXWMU-DRZSPHRISA-N 317.349 -0.791 30 20 DBED C#Cc1cncc(C(=O)NC[C@H]2CN(C(=O)C(N)=O)C[C@@H]2C)c1 959571644 AUTYJWKINKMCCT-GWCFXTLKSA-N 314.345 -0.628 30 20 DBED C=C(C)CCN1C[C@H]2C(NC(=O)Cn3ccc(O)nc3=O)[C@@H]2C1 960849075 AJZFXMKTKZBENP-VXGBXAGGSA-N 318.377 -0.039 30 20 DBED N#CCN1C[C@H]2[C@H](NC(=O)c3cccc(-n4cncn4)n3)[C@H]2C1 962162018 GBRRINWGYMDXQJ-YABSGUDNSA-N 309.333 -0.154 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CN(C(=O)c3csnn3)CCO2)C1 965430746 PQDLYTYFIHXFES-VIFPVBQESA-N 321.362 -0.249 30 20 DBED C[C@H](C#N)C(=O)N1CC2(C[C@H](NC(=O)c3ncc[nH]3)CO2)C1 965692239 WCJAMKQHVBWLPO-ZJUUUORDSA-N 303.322 -0.331 30 20 DBED C[C@H](C#N)C(=O)N1CC(N2CCN(C(=O)[C@@H]3CCOC3)CC2)C1 967193296 AFWFRVDBVCSUKV-CHWSQXEVSA-N 320.393 -0.462 30 20 DBED CCN(C(=O)[C@H]1CCC(=O)NC1)C1CN(C(=O)[C@H](C)C#N)C1 968134462 YXQIWDBGGHUATJ-MNOVXSKESA-N 306.366 -0.268 30 20 DBED C#Cc1cncc(C(=O)N[C@@H](C)C2CN([C@H](C)C(N)=O)C2)c1 970402282 WOHWLIGOFKJRRJ-WDEREUQCSA-N 300.362 -0.013 30 20 DBED CC#CCN1CCO[C@@]2(CCN(C(=O)[C@H]3CCNC(=O)C3)C2)C1 972338701 JKTHLWZYVBBXMV-YOEHRIQHSA-N 319.405 -0.161 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H]2C[C@@H](NC(=O)Cn3nccn3)C2)c1 974003559 NOJPPUGNDSWWRI-PHIMTYICSA-N 313.321 -0.445 30 20 DBED CN(C[C@@H]1CCN(C(=O)C(N)=O)C1)C(=O)c1cc(C#N)c[nH]1 988286171 NSIWNEHPYVCSDV-VIFPVBQESA-N 303.322 -0.708 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(NC(=O)[C@H]2COC(=O)N2)C1 991120905 LHUFBTWUACTAGD-TUAOUCFPSA-N 323.349 -0.597 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)c2cn(C)nn2)C1 991177719 SJGBSSHYFSKNEA-PWSUYJOCSA-N 305.338 -0.653 30 20 DBED C#Cc1ccc(C(=O)N2CC(NC(=O)c3cnnn3CC)C2)cn1 991197311 IRQGKHPKYRXDQU-UHFFFAOYSA-N 324.344 -0.071 30 20 DBED C#CCN1CCC[C@H](NC(=O)Cn2nc(C)n(C)c2=O)[C@@H]1C 994297439 GKULUJWVJIKTFG-AAEUAGOBSA-N 305.382 -0.507 30 20 DBED N#Cc1c[nH]c(C(=O)N2C[C@H]3CC[C@H]2CN3C(=O)C(N)=O)c1 1007231308 OOAKSIAZIJPRAY-VHSXEESVSA-N 301.306 -0.813 30 20 DBED C#Cc1ccc(C(=O)N2CCN(C(=O)c3cnn(C)n3)CC2)cn1 1011535822 DLHSIRZFMQBIAY-UHFFFAOYSA-N 324.344 -0.210 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C(=O)c2cc(C(N)=O)cn2C)CC1 1011737523 FWKPODZOZZKCRS-SNVBAGLBSA-N 317.349 -0.432 30 20 DBED C[C@H]1CN(C(=O)C#CC2CC2)C[C@]2(CCN(C(=O)C(N)=O)C2)O1 1017833611 YIWCWIKYLIWKCU-MEDUHNTESA-N 319.361 -0.897 30 20 DBED CN1CC[C@@H](N[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)C1=O 1018748469 ZQPLRAWNKLWQHA-WCQYABFASA-N 301.350 -0.079 30 20 DBED Cn1nnnc1CN[C@H]1C[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 1020084679 RPNZHOLWGKTARA-MGCOHNPYSA-N 300.326 -0.540 30 20 DBED CN1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1023212458 FWDJTERBZWAHLD-MGPQQGTHSA-N 305.378 -0.818 30 20 DBED N#CCN1CCC[C@@H](CNC(=O)[C@H]2CCc3nnc(O)n3C2)C1 1023448669 VDAKAYVYOFVMCF-RYUDHWBXSA-N 318.381 -0.102 30 20 DBED N#CCN1CC[C@H](CNC(=O)c2cn(C[C@H]3CCOC3)nn2)C1 1028900079 UJCXGCMSVQEHHM-CHWSQXEVSA-N 318.381 -0.110 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN(Cc2cncn2C)C1 1030462052 JKDPCCAKXLEWTF-HNNXBMFYSA-N 301.394 -0.182 30 20 DBED C=CCn1cc(C(=O)NC2CN([C@@H](C)C(=O)N(C)C)C2)nn1 1031071446 TZERUHBXRCDWEG-JTQLQIEISA-N 306.370 -0.645 30 20 DBED C=C(C)CN1CC[C@H](N(C)C(=O)CN2CC(=O)N(C)C2=O)C1 1033576700 JYQQTFKKABZWNE-LBPRGKRZSA-N 308.382 -0.011 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)c2cn([C@@H]3CCOC3)nn2)C1 1035569850 ADSBNALGSLMRHW-OLZOCXBDSA-N 319.365 -0.697 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2CN(CCCO)CCO2)nc1 1035585152 GJKZVMUCSBVRJV-AWEZNQCLSA-N 303.362 -0.124 30 20 DBED C=CCN[C@@H]1CCN(C(=O)CN2CCC(=O)NC2=O)C[C@@H]1C 1036248396 AXJVUPUBPYDICW-NWDGAFQWSA-N 308.382 -0.059 30 20 DBED COc1c(O)nc(O)nc1C(=O)N1CC[C@H](NCC#N)[C@@H](C)C1 1036255902 FBXGVVPCALUWHP-IUCAKERBSA-N 321.337 -0.140 30 20 DBED C#CCN[C@H]1CCN(C(=O)Cn2c(O)nnc2O)C[C@@H]1CC 1037970883 VMPDGGDXZVKYQV-QWRGUYRKSA-N 307.354 -0.461 30 20 DBED O=C1NC[C@H](C(=O)NC[C@H]2CCN2CC#Cc2ccccc2)N1 1038654057 GKCJFKIPAAKKPN-HUUCEWRRSA-N 312.373 -0.090 30 20 DBED CC(C)C#CC(=O)NC[C@]1(O)CCN(C(=O)Cc2ncc[nH]2)C1 1039665285 INJHSOITGFNXMB-MRXNPFEDSA-N 318.377 -0.309 30 20 DBED CC(C)C#CC(=O)N1CC[C@](O)(CNC(=O)c2ccn(C)n2)C1 1039759781 ARGNSHGBHBCBQZ-INIZCTEOSA-N 318.377 -0.227 30 20 DBED C=CCCCC(=O)NC[C@@]1(O)CCN(C(=O)Cn2cnnn2)C1 1040726680 HQZJMGYHLIMSRO-AWEZNQCLSA-N 322.369 -0.891 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)C(C)(F)F)C1 1041145580 AUBAVNLHDJGNDS-VIFPVBQESA-N 304.293 -0.631 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)[C@@H](F)C(C)C)C1 1042043901 VHRRUVXCUGQWOD-LBPRGKRZSA-N 302.346 -0.127 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)c2cncnc2C)C1 1042803114 RZXISYRDQFZKOH-UHFFFAOYSA-N 316.361 -0.108 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(O)CN(C(=O)CCOC)C1 1042806074 BSTQWOHMUGPKSM-CYBMUJFWSA-N 300.355 -0.961 30 20 DBED Cc1c[nH]c(C(=O)N2CC(O)(CNC(=O)C#CC(C)C)C2)n1 1042941108 KPOWGPCEDFTHBK-UHFFFAOYSA-N 304.350 -0.319 30 20 DBED CC(C)(C)C#CC(=O)NCC1(O)CN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1042970484 MEMDWRHOZJLWHB-IMRBUKKESA-N 320.389 -0.382 30 20 DBED C=CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2cocn2)C1 1043571734 RWDIFMWJIQWKOY-JTQLQIEISA-N 309.322 -0.431 30 20 DBED CO[C@@H](C)C(=O)N1CCO[C@@H]2CN(c3ccnc(C#N)n3)C[C@@H]21 1043669823 MHYSJUWNLXYTLF-SDDRHHMPSA-N 317.349 -0.201 30 20 DBED C=C(C)C[C@H](C)C(=O)N1CC(O)(CNC(=O)c2cnn(C)n2)C1 1043891188 RHCXQPLXZXBYJA-NSHDSACASA-N 321.381 -0.280 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)[C@]3(F)CCOC3)C2)nc1 1044427022 QNEYVZKKRIPYMO-XUJVJEKNSA-N 320.324 -0.252 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)[C@H]2CCCCC(=O)N2)C1 1046385062 IHOKEZKWBQUZKA-GFCCVEGCSA-N 323.393 -0.299 30 20 DBED Cc1nnc(O)c(C(=O)N(C)[C@H]2CN(CC#N)C[C@@H]2O)c1C 1047481453 CWZGQOSFYCIHBZ-QWRGUYRKSA-N 305.338 -0.560 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccnc3c2nnn3C)C1 1047504240 HPJIAHDXUGCBRO-RYUDHWBXSA-N 314.349 -0.886 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2cn(C(C)C)nn2)C1 1047580884 ZSBHMFGTXGLCDV-KBPBESRZSA-N 305.382 -0.001 30 20 DBED C=CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCCN2C(N)=O)C1 1047592520 TXPJEQXEAHIJOL-RDBSUJKOSA-N 324.425 -0.001 30 20 DBED C=CCCC(=O)N(C)[C@H]1CN(C(=O)[C@@H](C)n2cncn2)C[C@@H]1O 1048510640 QNGCIOAWQAGVON-AGIUHOORSA-N 321.381 -0.165 30 20 DBED O=C1CC[C@@H](N2C[C@H]3CN(C(=O)C#CC4CC4)C[C@H]3C2)C(=O)N1 1048810565 PJEAGFLPUVPJMI-HZSPNIEDSA-N 315.373 -0.405 30 20 DBED C=CCCN1C[C@H]2CN(C(=O)CN3C(=O)CNC3=O)C[C@H]2C1 1049204990 CDAOEJJBZHEPOQ-TXEJJXNPSA-N 306.366 -0.496 30 20 DBED C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)CN1CCOCC1=O 1049522398 PRJSYLVYRUKJRT-KBPBESRZSA-N 305.378 -0.456 30 20 DBED N#CCN1CC[C@H]2[C@H]1CCCN2C(=O)Cn1ccc(O)nc1=O 1049581339 YZGUQEFOYHGDJX-NEPJUHHUSA-N 317.349 -0.462 30 20 DBED C[C@@H]1[C@@H](NC(=O)Cn2cncn2)CCN1c1nccnc1C#N 1050288987 ZQSZOCYRUDYEHZ-MNOVXSKESA-N 312.337 -0.277 30 20 DBED C#CCOCCC(=O)N1CC[C@H]([C@@H](C)NC(=O)CNC(N)=O)C1 1050728007 IOQIXQJUJITSMI-NEPJUHHUSA-N 324.381 -0.952 30 20 DBED C=CCOCC(=O)N[C@@H](C)[C@H]1CCN(C(=O)c2cnn(C)n2)C1 1051183056 WXIHSECISHXZHJ-RYUDHWBXSA-N 321.381 -0.016 30 20 DBED C=CCN1CCOC[C@H]1CNC(=O)c1nc(O)nc(O)c1OC 1051210693 YRQODWULYFRFET-SECBINFHSA-N 324.337 -0.487 30 20 DBED C=CCN1CC2(CC[C@H](CNC(=O)[C@H]3CC[C@@H](C(N)=O)O3)O2)C1 1053661587 YBLHAGSBXMOQLX-FRRDWIJNSA-N 323.393 -0.445 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)[C@@H]3CCN(C(C)=O)C3)CO2)C1 1053994904 OWLNWWDDTBCAIV-ZIAGYGMSSA-N 305.378 -0.553 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)[C@H]3CCC(=O)N(C)C3)CO2)C1 1054018220 ZISCBJVHRARBMX-KBPBESRZSA-N 319.405 -0.162 30 20 DBED C=CCN1CC[C@@]2(CCCN(C(=O)CN3CCNC(=O)C3)C2)C1 1054175038 FWONNKGFDBYHDU-KRWDZBQOSA-N 320.437 -0.081 30 20 DBED N#Cc1ccc(N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)Cn2cncn2)nn1 1055021251 IGRBOHDLSOGMBN-AGIUHOORSA-N 324.348 -0.134 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2CN(C(=O)c3cn[nH]c3)C[C@@H]2C1 1055192603 AIVKSGRTLKVRQS-FPMFFAJLSA-N 316.361 -0.022 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCC[C@@](CO)(NC(=O)COC)C1 1055705040 FKZUDQWUZQWZME-HUUCEWRRSA-N 314.382 -0.570 30 20 DBED CN1CC[C@@H](C(=O)N2CCN(c3cncc(C#N)n3)CC2)C1 1055818799 YVVLMSBMVFMYMD-GFCCVEGCSA-N 300.366 -0.051 30 20 DBED C#CCOCCC(=O)N[C@@]1(CO)CCCN(C(=O)[C@H](C)C#N)C1 1055944629 AOLLDPSMKYEQJX-CJNGLKHVSA-N 321.377 -0.344 30 20 DBED CC#CCCCC(=O)N1CCC[C@](CO)(NC(=O)C(N)=O)C1 1056090700 HEIZZBBZKVMUCX-HNNXBMFYSA-N 309.366 -0.865 30 20 DBED CCN(CC)CC(=O)N1CCC[C@](CO)(NC(=O)[C@H](C)C#N)C1 1056096353 HIFHFMDBZIOIEE-CJNGLKHVSA-N 324.425 -0.042 30 20 DBED Cn1ccc(CC(=O)NC2[C@@H]3CN(c4ccc(C#N)nn4)C[C@@H]23)n1 1056204389 RUSUBHXSWSZVOM-CHWSQXEVSA-N 323.360 -0.125 30 20 DBED C=CCOCC(=O)N1CC[C@@H]2[C@H]1CCCN2C(=O)CC(N)=O 1056325406 RVHQYBXRDYRBEI-VXGBXAGGSA-N 309.366 -0.344 30 20 DBED N#Cc1cnccc1N1C[C@@H]2C(NC(=O)c3c[nH]c(=O)cn3)[C@H]2C1 1056389225 KMOKBESJDZQSQB-QWRGUYRKSA-N 322.328 -0.099 30 20 DBED C=C[C@](C)(O)CC(=O)NCCN(CCO)C(=O)COCC 1056865119 ZOYFGSMQHOFJHZ-AWEZNQCLSA-N 302.371 -0.713 30 20 DBED O=C(C#CC1CC1)NCCN(CCO)C(=O)CCn1cncn1 1056992057 VBPGZFLUPZDMED-UHFFFAOYSA-N 319.365 -0.981 30 20 DBED C#CCOCCC(=O)NCCN(CCO)C(=O)[C@H](C)COC 1057192656 XYFHSEIJVTUROV-CYBMUJFWSA-N 314.382 -0.754 30 20 DBED N#Cc1ccc(C(=O)N(CCO)CCNC(=O)C(F)F)[nH]1 1057368211 FYFRXXLDOWBEBE-UHFFFAOYSA-N 300.265 -0.298 30 20 DBED C=CCC(C)(C)C(=O)NCCN(CCO)C(=O)CC(=O)NC 1057416124 QHNSSIIFAFEJAP-UHFFFAOYSA-N 313.398 -0.338 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)CCNC(=O)NC 1057497933 IJBLQRVEKJAYHU-UHFFFAOYSA-N 314.386 -0.791 30 20 DBED N#Cc1cnc(N[C@@H]2CCCN(C(=O)[C@H]3COC(=O)N3)C2)cn1 1057631674 UQMIIRGTENBYSQ-MWLCHTKSSA-N 316.321 -0.140 30 20 DBED C=C[C@H](CC)CC(=O)NCCN(CCO)C(=O)c1nc[nH]n1 1058388330 AZVBQSLWPBVUIU-LLVKDONJSA-N 309.370 -0.042 30 20 DBED COCCOCC(=O)NC[C@H]1COCCN1C(=O)C#CC1CC1 1061437709 ZKYLGUQLHKIAHV-AWEZNQCLSA-N 324.377 -0.594 30 20 DBED N#CCSCC(=O)NC[C@H]1CCCCN1C(=O)CC(N)=O 1062081812 DXOJAKKXTCYTGQ-SNVBAGLBSA-N 312.395 -0.384 30 20 DBED C=CCCO[C@H](C)C(=O)NC1(CNC(=O)CC(N)=O)CCC1 1062733164 RVWLMKNQEJYLJE-LLVKDONJSA-N 311.382 -0.002 30 20 DBED N#Cc1cnc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)Cn2cccn2)cn1 1064216285 HGUHRCCGFZWDBV-IFUGULHKSA-N 309.333 -0.062 30 20 DBED CC(=O)N[C@H](C)C(=O)N1CCO[C@@H](CNC(=O)C#CC(C)C)C1 1064816644 CPKADMJVDKUOBW-OCCSQVGLSA-N 323.393 -0.486 30 20 DBED C#CCCCC(=O)N1CCO[C@@H](CNC(=O)[C@@H]2CCNC2=O)C1 1065090384 JSTRUPJNMUUNIT-QWHCGFSZSA-N 321.377 -0.730 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)CC(=O)N(C)C)CCO1 1065165440 NNEBEZIIURERSZ-LBPRGKRZSA-N 311.382 -0.226 30 20 DBED Cc1nn[nH]c1C(=O)N1CCO[C@H](CNC(=O)C#CC(C)C)C1 1065415490 LASJHOWMUUKHFX-GFCCVEGCSA-N 319.365 -0.270 30 20 DBED C#Cc1cncc(C(=O)N2CCO[C@@H](CNC(=O)COC)C2)c1 1065596168 OGMZJWWKCFVEAM-AWEZNQCLSA-N 317.345 -0.334 30 20 DBED C[C@H](NC(N)=O)C(=O)N1CCC[C@H](NC(=O)C#CC2CC2)CC1 1066152579 HZNOAFVOWPTPOU-AAEUAGOBSA-N 320.393 -0.046 30 20 DBED N#Cc1nccc(N2CCOC[C@@H]2CNC(=O)c2cc[nH]n2)n1 1066464335 PENXEMADIFRSHZ-JTQLQIEISA-N 313.321 -0.293 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CCCN(C(=O)C2(C(N)=O)CC2)CC1 1066477995 FMOKARQYYXWYQF-QWRGUYRKSA-N 306.366 -0.091 30 20 DBED N#Cc1ccc(NCC2CC(NC(=O)Cn3ncnn3)C2)cn1 1067866603 ODYBIQJKHJJCFS-UHFFFAOYSA-N 312.337 -0.053 30 20 DBED C#CCOCCC(=O)N1CC2(C[C@H](NC(=O)[C@@H](C)C#N)CO2)C1 1069008850 VSQVUXSJKZZFMJ-STQMWFEESA-N 319.361 -0.328 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCC[C@@]2(CCN(C(=O)C(N)=O)C2)C1 1069742410 CMRYXGAMTLLJES-HZPDHXFCSA-N 323.393 -0.360 30 20 DBED C#CCN1CCn2ncc(CNC(=O)c3cc(=O)n(C)o3)c2C1 1069859481 WXVFKYSSNCAPNH-UHFFFAOYSA-N 315.333 -0.446 30 20 DBED C=CCCN1CCNC(=O)CCN(C(=O)[C@@H]2COC(=O)N2)CC1 1070958879 YAMHSLZIJSUMFI-LBPRGKRZSA-N 324.381 -0.679 30 20 DBED C[C@H]1OCC[C@H]1C(=O)N1CCC(=O)NCCN(CC#N)CC1 1071010288 DZXFISODEQEPOL-CHWSQXEVSA-N 308.382 -0.415 30 20 DBED C[C@H]1CN(C(=O)CCn2ccnn2)C[C@@]2(CCN(CC#N)C2)O1 1071159676 PMBVQXSPHOJELN-ZFWWWQNUSA-N 318.381 -0.116 30 20 DBED CC(C)C#CC(=O)N1CC[C@H](NC(=O)CNC(N)=O)[C@@H](C)C1 1073704025 CNSFAOQABLXOKC-RYUDHWBXSA-N 308.382 -0.333 30 20 DBED CC#CCN1CCO[C@H]2CCN(C(=O)Cc3nc[nH]n3)C[C@@H]21 1074379861 KGXVCQSFYAANAW-STQMWFEESA-N 303.366 -0.328 30 20 DBED C#CCO[C@@H](C)C(=O)NCC[C@H](C)NC(=O)Cc1nc[nH]n1 1076509238 SCDQXZOBQXYLOL-QWRGUYRKSA-N 307.354 -0.604 30 20 DBED C#CCO[C@H](C)C(=O)NCC[C@H](C)NC(=O)c1nnn(C)c1C 1076510864 WPMVTJHKHYMJGI-CMPLNLGQSA-N 321.381 -0.214 30 20 DBED C[C@@H](CCNC(=O)CN1CCCNC1=O)NC(=O)[C@H](C)C#N 1077306072 JLAFIVKIMQULMS-MNOVXSKESA-N 309.370 -0.428 30 20 DBED C=CCN[C@@H]1C[C@@H](NC(=O)Cn2c(O)nnc2O)C12CCC2 1078795779 UHHNNCBHPITVCK-NXEZZACHSA-N 307.354 -0.108 30 20 DBED C=CCCC(=O)N1C[C@H](CNC(=O)Cn2cccn2)[C@@H](O)C1 1081253313 FCYVZYSYVPLSQO-STQMWFEESA-N 306.366 -0.215 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)CC(C)(C)O)C[C@H]1O 1081347413 VWTIGVFHHUNUFN-VXGBXAGGSA-N 314.382 -0.715 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)CC(=O)N(C)C)C[C@@H]1O 1081445066 QPAYLQSXGDFSNW-STQMWFEESA-N 323.393 -0.796 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)c2nonc2C)C[C@@H]1O 1081445149 RLHNPDNPTJJKTK-RYUDHWBXSA-N 320.349 -0.269 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)c2cnn(C)c2)C[C@@H]1O 1081461396 UCFKCMJPMMCWCW-JSGCOSHPSA-N 318.377 -0.371 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)Cc2cnoc2)C[C@H]1O 1081462690 DCNSOIWYUOEHJB-ZIAGYGMSSA-N 319.361 -0.188 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)c2cnns2)C[C@@H]1O 1081463769 RUIVGHRZHNBDFA-QWRGUYRKSA-N 322.390 -0.253 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@H](CNC(=O)C#CC2CC2)C1 1081471148 JTJWCBFPNMDUOJ-KGLIPLIRSA-N 306.362 -0.462 30 20 DBED Cc1nc(CN2C[C@H](O)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)n[nH]1 1083418179 VZZZCAOUTIDLBY-NEPJUHHUSA-N 315.337 -0.712 30 20 DBED N#Cc1ccccc1CN1C[C@H](O)[C@H](NC(=O)c2cnn[nH]2)C1 1083598224 KXNNWFCZWKXIKS-KGLIPLIRSA-N 312.333 -0.349 30 20 DBED C#CCN1CCC[C@@H]2[C@H](NC(=O)Cn3ncnn3)C(C)(C)[C@H]21 1087286746 WKYXYWQNHSQRLA-XBFCOCLRSA-N 302.382 -0.089 30 20 DBED C#CCN1C[C@H]2CC[C@H]1[C@@H]1CN(C(=O)c3nnn(C)n3)C[C@@H]21 1087380406 UGRIUVOEBSTJJW-XQHKEYJVSA-N 300.366 -0.374 30 20 DBED CC(=O)N1CCOC[C@H]1C(=O)N1C[C@H]2CCN(CC#N)C[C@H]2C1 1088207018 QHUPCGNOGBPKOR-ILXRZTDVSA-N 320.393 -0.462 30 20 DBED C=CCN1CC[C@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)[C@H]1C 1089060460 NLNACKNWJXGRBW-NEPJUHHUSA-N 320.397 -0.255 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2cc(C(N)=O)co2)[C@@H](O)C1 1090567379 UMDZWIOTUVWHMT-NEPJUHHUSA-N 305.334 -0.433 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2cn(CC3CC3)nn2)[C@@H](O)C1 1090682283 JYRCJTCWVWIKDY-YPMHNXCESA-N 304.354 -0.623 30 20 DBED COCCCCC(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1091086633 TYMPKYBTAOMTSC-OLZOCXBDSA-N 319.365 -0.169 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(c2ccnc(C#N)n2)C[C@@H]1O 1092154182 SCCLNDRHALJJQA-RYUDHWBXSA-N 317.349 -0.393 30 20 DBED CNC(=O)CC(=O)N1C[C@@H](C)[C@H](CN=c2cc[nH]c(C#N)n2)C1 1092646332 ITBNGLUJSRANSI-GHMZBOCLSA-N 316.365 -0.587 30 20 DBED CCOc1cc(C(=O)NCCN=c2cc[nH]c(C#N)n2)[nH]n1 1093964642 GWNDVIHMZKELOO-UHFFFAOYSA-N 301.310 -0.266 30 20 DBED Cc1cc(C#N)nc(NCCNC(=O)[C@@H]2CCN(C)C2=O)n1 1094047268 NKQWRDCOERRHIV-NSHDSACASA-N 302.338 -0.337 30 20 DBED Cc1cc(C(=O)N[C@@H]2CC(=O)N(C3CN(CC#N)C3)C2)no1 1094697095 HDXRFCCIVMDCOU-SNVBAGLBSA-N 303.322 -0.479 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)[C@H]3OCC[C@H]3C)CC2=O)C1 1094787303 RJONDXOCSBHFJB-XUJVJEKNSA-N 307.394 -0.001 30 20 DBED C=CCn1cc(C(=O)NCCCN=c2cc[nH]c(C#N)n2)nn1 1094825130 AUQKMAOMTQNQKV-UHFFFAOYSA-N 312.337 -0.220 30 20 DBED CCC(=O)NCC(=O)N1CC[C@@H](N=c2cc[nH]cc2C#N)C1 1095025318 QCRNVMIEDZMYPC-GFCCVEGCSA-N 301.350 -0.086 30 20 DBED C[C@H](NC(N)=O)C(=O)N1CC[C@@H](N(C)c2ccc(C#N)nn2)C1 1095113306 PFMRKVDEZRFDEI-GXSJLCMTSA-N 317.353 -0.558 30 20 DBED CN(C)C(=O)CC(=O)N[C@@H]1CCCN(c2cnc(C#N)cn2)C1 1096238419 XSJUHGLYDVTYCW-LLVKDONJSA-N 316.365 -0.088 30 20 DBED C=CCOCC(=O)N1CC[C@H](Nc2ccc3nnnn3n2)C1 1096925735 BXQVMCIKQLFOIN-JTQLQIEISA-N 303.326 -0.265 30 20 DBED Cc1cc(C#N)nc(N[C@@H](C)CNC(=O)[C@@H]2CCNC2=O)n1 1098211005 CJDQAIIGCXOKQG-GXSJLCMTSA-N 302.338 -0.291 30 20 DBED C#CCOCCC(=O)N1CCC(N(CCO)C[C@@H](C)O)CC1 1098364313 PFOLLDDWGJKGJV-CQSZACIVSA-N 312.410 -0.308 30 20 DBED CNC(=O)CC(=O)N1CC[C@@H](CN=c2cc[nH]c(C#N)n2)C1 1098521647 JCNBVNGNQNIBRT-JTQLQIEISA-N 302.338 -0.833 30 20 DBED CC(C)C#CC(=O)N1CC[C@@H](n2cc(CNCCO)nn2)C1 1098669047 FWIVPTGTUAANDP-CQSZACIVSA-N 305.382 -0.207 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)c2conc2C)[C@H](O)C1 1099978164 AYNTVZCPOULRAZ-QWHCGFSZSA-N 322.365 -0.550 30 20 DBED CN(CCNC(=O)CCCCNC(N)=O)c1ccc(C#N)nn1 1100216072 YTYZPDWFWDSQBL-UHFFFAOYSA-N 319.369 -0.261 30 20 DBED CCN(CCNC(=O)[C@H]1CN(C)C(=O)N1)c1ccnc(C#N)n1 1100684657 VSVFCNLMUCHJGY-SNVBAGLBSA-N 317.353 -0.686 30 20 DBED CCN1CCOC[C@@H]1C(=O)N(C)CCN=c1cc[nH]c(C#N)n1 1101844894 WENQKBAIMZMISX-GFCCVEGCSA-N 318.381 -0.639 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1C#N 1102548015 ZQDDSXCZHRUNQZ-RYUDHWBXSA-N 324.344 -0.723 30 20 DBED CC[C@H](CNC(=O)[C@H]1CCC(=O)N1C)N=c1cc[nH]c(C#N)n1 1103271863 GNMRSUMUTYKSOQ-GHMZBOCLSA-N 316.365 -0.302 30 20 DBED C[C@H]1CCCC[C@@]1(CN=c1cc[nH]c(C#N)n1)NC(=O)C(N)=O 1103606841 CGJLACIBJJKNMH-BONVTDFDSA-N 316.365 -0.268 30 20 DBED C#CCNCC[C@@H]1CN(C(=O)CC[C@@H]2NC(=O)NC2=O)C[C@H]1C 1104990286 QGSNWTWRBDTPLQ-UPJWGTAASA-N 320.393 -0.318 30 20 DBED C=CCCC(=O)N1CC(n2cc(CNC[C@@H](O)COC)nn2)C1 1105185928 XKVHVBANFCYHBM-CQSZACIVSA-N 323.397 -0.276 30 20 DBED C#CCCNCc1cn(C2CN(C(=O)c3cncn3C)C2)nn1 1105276681 PUOMBMGJGKFOOI-UHFFFAOYSA-N 313.365 -0.178 30 20 DBED C#CCN1CC(OC2CCN(C(=O)[C@@H](C)CC(N)=O)CC2)C1 1105717156 PSZKVNUDDXITKY-LBPRGKRZSA-N 307.394 -0.177 30 20 DBED N#Cc1cncc(NC[C@H](O)CNC(=O)[C@H]2CCCCO2)n1 1105819683 IRUUYIYYRQHUBL-NWDGAFQWSA-N 305.338 -0.194 30 20 DBED CC(C)[C@H](C(=O)NC[C@@H](O)CNc1cnc(C#N)cn1)N(C)C 1105917994 UDDSKVQTKPCAEL-GXTWGEPZSA-N 320.397 -0.177 30 20 DBED CC(C)(C(N)=O)C(=O)NC[C@@H](O)CNc1ccc(C#N)nc1 1105997565 VJWMUSVJMSAZIQ-NSHDSACASA-N 305.338 -0.646 30 20 DBED CC[C@@H](NC(C)=O)C(=O)NC[C@H](O)CNc1ccc(C#N)nc1 1106123055 IZSLGSRRVDESBG-ZIAGYGMSSA-N 319.365 -0.243 30 20 DBED CCN(CCNc1nc(C)cc(C#N)n1)C(=O)[C@@H]1CNC(=O)N1 1106928896 VVLDORFLOAHYJN-NSHDSACASA-N 317.353 -0.402 30 20 DBED COC[C@@H](C)N1CC(n2cc(CNC(=O)[C@H](C)C#N)nn2)C1 1107149324 BGPFTJXZQIXVFI-GHMZBOCLSA-N 306.370 -0.054 30 20 DBED N#Cc1cnc(NC/C=C\CNC(=O)[C@@H]2CCCNC2=O)cn1 1107389553 NAFBGOQTYOWHDN-BIOMNHJASA-N 314.349 -0.041 30 20 DBED C[C@H](C(=O)NC/C=C/CNc1ccc(C#N)nn1)S(C)(=O)=O 1107576794 QKIVCTXEVPZUAH-HMDXOVGESA-N 323.378 -0.134 30 20 DBED C=CCNC(=O)NC(=O)CN1CCO[C@@](C)(CNC(C)=O)C1 1107664379 NEOOMJYVGNUMEX-AWEZNQCLSA-N 312.370 -0.775 30 20 DBED C=CCOCC(=O)NC[C@]1(C)CN(Cc2nnn(C)n2)CCO1 1107810643 FIBYEZXUNRBHAW-CQSZACIVSA-N 324.385 -0.880 30 20 DBED C[C@@H](C#N)C(=O)NC[C@]1(C)CN(CCN2CCCC2=O)CCO1 1107821044 IBUYVGJCVHWSBD-XJKSGUPXSA-N 322.409 -0.024 30 20 DBED CC(C)C(=O)N(C)CC(=O)NC[C@]1(C)CN(CC#N)CCO1 1107979142 AZNKZNIPLVONJZ-OAHLLOKOSA-N 310.398 -0.169 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)c2cn(C)c(=O)cn2)C1 1108085276 VZDGPIYUIHVLGC-HNNXBMFYSA-N 304.350 -0.766 30 20 DBED C#CCCN1CCN(C(=O)C#CC(C)C)[C@@H]2CS(=O)(=O)C[C@@H]21 1108473931 COKQOJHQMGCLGM-LSDHHAIUSA-N 322.430 -0.021 30 20 DBED C#CCCCCC(=O)N[C@@H]1CC(=O)N(C2CN(C[C@H](C)O)C2)C1 1108538040 ZNLXYMJZRWCEHM-UONOGXRCSA-N 321.421 -0.038 30 20 DBED CC(=O)N[C@H](C)C(=O)N[C@H](C)CN(C)c1cncc(C#N)n1 1108818455 NWEPPJUPYXFRHX-NXEZZACHSA-N 304.354 -0.186 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H](C)CN(C)c1ccc2nnnn2n1 1109102064 LFCSBVCOUJETOO-WDEREUQCSA-N 317.353 -0.502 30 20 DBED CN(CCCNc1cnc(C#N)cn1)C(=O)[C@H]1CCC(=O)N1 1109392522 LVJPPFSFUYZOAT-LLVKDONJSA-N 302.338 -0.113 30 20 DBED Cc1cc(C#N)nc(NCCCN(C)C(=O)[C@H](C)NC(N)=O)n1 1109422329 JGHRQTDFQLSYBL-JTQLQIEISA-N 319.369 -0.026 30 20 DBED N#Cc1nccnc1NC[C@H](NC(=O)Cn1cncn1)C1CC1 1109848875 VDZZXLOBGWTGPR-LBPRGKRZSA-N 312.337 -0.053 30 20 DBED C[C@]1(C(=O)NCC2(Nc3cnc(C#N)cn3)CC2)CNC(=O)C1 1110287401 BUCLCLAPYGZIER-CQSZACIVSA-N 314.349 -0.065 30 20 DBED CCC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC#N)S(N)(=O)=O 1110856802 SGFDLVRNOIJLMU-WISYIIOYSA-N 314.411 -0.311 30 20 DBED C[C@H](C#N)C(=O)NC[C@@]1(O)CCN(c2ccc(C#N)nn2)C1 1111042292 RZAAJIDGCCJCNE-YGRLFVJLSA-N 300.322 -0.435 30 20 DBED Cc1nn[nH]c1C(=O)N(CCO)CCNc1nccnc1C#N 1111535849 ZDEHVGGELZQKSU-UHFFFAOYSA-N 316.325 -0.679 30 20 DBED CN(C)CCC(=O)N1CCO[C@H](CNc2cncc(C#N)n2)C1 1111961722 GNWVFOAMIYIYLE-CYBMUJFWSA-N 318.381 -0.061 30 20 DBED C[C@H]1CN(c2nccnc2C#N)CC[C@H]1NC(=O)CNC(N)=O 1112394287 ZCYVUCKPFFSZBP-VHSXEESVSA-N 317.353 -0.652 30 20 DBED COCCC(=O)NC[C@H]1CN(c2ccnc(C#N)n2)C[C@H]1O 1112689159 JJXMBHLSSQDYPC-WDEREUQCSA-N 305.338 -0.702 30 20 DBED C[C@@H](N=c1cc[nH]c(C#N)n1)[C@@H](C)NC(=O)CCn1ccnn1 1113016828 JKPIEDHZMJPZEA-GHMZBOCLSA-N 314.353 -0.243 30 20 DBED COCC#CCN1CCN(C(=O)c2ccn(C)c(=O)c2)CC1 1113024704 ZQIJAJYZBMBPQF-UHFFFAOYSA-N 303.362 -0.207 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)c3cc(C)[nH]n3)[C@H]2C1 1113948292 PFYCANYANJJWGA-SRVKXCTJSA-N 315.377 -0.484 30 20 DBED Cc1cc(C(=O)NC2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]23)ns1 1114188542 FVVHQFBGAGEXHG-NXEZZACHSA-N 319.390 -0.249 30 20 DBED C=CCN1C[C@H]2C(NC(=O)[C@H](CCC)S(N)(=O)=O)[C@@H]2C1 1114621760 PVEBUCWUSJSEJX-MXWKQRLJSA-N 301.412 -0.324 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)c3cncc(C#C)c3)[C@@H]2C1 1114808838 ZJADKIVOARUBQT-HUUCEWRRSA-N 322.368 -0.528 30 20 DBED COCC#CCN1C[C@@H]2C(NC(=O)c3cccc(=O)n3C)[C@H]2C1 1114815658 YJQMDTGDOYNLRG-STQMWFEESA-N 315.373 -0.305 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)[C@H](CC)NC(C)=O)[C@@H]2C1 1114861780 IHCKQFZWSKOGHO-UPJWGTAASA-N 322.409 -0.750 30 20 DBED C#CCCN1C[C@H]2[C@H](NC(=O)CCn3cnccc3=O)[C@H]2C1 1115049497 KTRWQPAYIUBLOK-VIKVFOODSA-N 300.362 -0.297 30 20 DBED C#CC1CCN(C(=O)C(=O)N[C@H]2CCN(C(=O)CC)C2)CC1 1118221983 XRHAFCBIMVLCDH-ZDUSSCGKSA-N 305.378 -0.015 30 20 DBED CCn1cc(C(=O)NC[C@@H](CO)Nc2ccc(C#N)nn2)cn1 1121228775 NJJPAFYVNNEQGA-LBPRGKRZSA-N 315.337 -0.233 30 20 DBED CN1CCC[C@H]1C(=O)NC[C@H](CO)Nc1ccc(C#N)nc1 1121241017 LLUSKNOLHMBHTN-KGLIPLIRSA-N 303.366 -0.064 30 20 DBED N#CCNC1CC2(C1)CC(NC(=O)CCCS(N)(=O)=O)C2 1121668159 PLOXKUUBOKNCSK-UHFFFAOYSA-N 314.411 -0.404 30 20 DBED CN(C[C@@H](O)CNc1ccc(C#N)nn1)C(=O)c1cccnn1 1124459878 DWWIUKRPNJPFBI-NSHDSACASA-N 313.321 -0.317 30 20 DBED Cc1n[nH]cc1C(=O)N(C)C[C@H](O)CNc1ccc(C#N)nn1 1124627155 BQAXDNPZGIONQY-LLVKDONJSA-N 315.337 -0.075 30 20 DBED CC(C)[C@@H](O)C(=O)N(C)C[C@H](O)CN(C)c1ccc(C#N)nn1 1125075162 NJINUVNPEUHKLK-TZMCWYRMSA-N 321.381 -0.379 30 20 DBED CN(C[C@H](O)CN(C)c1ccnc(C#N)n1)C(=O)c1cnon1 1125139686 MWPBUSPRIQPQSR-SECBINFHSA-N 317.309 -0.699 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)c1ncc[nH]1 1126828284 RJJPIAWZFQIADT-SECBINFHSA-N 308.342 -0.871 30 20 DBED C[C@@H](NCCNC(=O)C#CC1CC1)C(=O)NC[C@@H]1CCCO1 1126886524 VRUKISSUUUSPHY-OCCSQVGLSA-N 307.394 -0.211 30 20 DBED CC#CCN[C@@H]1CCN(c2cccc(CNC(=O)C(N)=O)n2)C1 1127846728 YLMNFDYFMZFRBO-CYBMUJFWSA-N 315.377 -0.625 30 20 DBED C=CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)CNC(=O)CC)C1 1128838525 IDXVQVFGZMSXPG-OLZOCXBDSA-N 320.397 -0.278 30 20 DBED CC(C)CN1CC[C@@H](C(=O)NCCNCC(=O)NCC#N)C1 1129340594 NNNZVEUATGOJMC-CYBMUJFWSA-N 309.414 -0.690 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@H]1CCCc2nccn21 1129418250 SXDQDFLNPSSNCE-GFCCVEGCSA-N 303.366 -0.784 30 20 DBED C=CCN[C@@H]1CN(C(=O)CN(C)C(C)=O)C[C@@H]1n1ccnn1 1129603802 KXNSBCILGQCWFV-OLZOCXBDSA-N 306.370 -0.716 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@H](n2ccnn2)[C@H](NCC=C)C1 1129837352 CEYUAJXWHNAXQU-MCIONIFRSA-N 303.366 -0.156 30 20 DBED CC(=O)N[C@H](C)C(=O)N1C[C@@H]2C[C@@H]3CN(CC#N)C[C@]2(C1)O3 1131177112 DWCSHNGZOAFDET-CQROYNQRSA-N 306.366 -0.664 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)CNC(=O)OC)C[C@@]3(C1)O2 1131191033 PXZHGADPQYNPHL-LALPHHSUSA-N 307.350 -0.723 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2nonc2C)CC[C@@H]1C 1132537719 QDTRPYNZAIOMLN-JQWIXIFHSA-N 319.365 -0.290 30 20 DBED C#CCNC[C@@H]1CN(C(=O)CN2CCOCC2=O)CC[C@H]1C 1132900566 FVSNBDDUJSOIEU-ZIAGYGMSSA-N 307.394 -0.447 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)c1cnn(C)c1C 1133708160 QNOPFXMQLREIIX-VXGBXAGGSA-N 319.409 -0.036 30 20 DBED Cc1cc(CC(=O)N[C@H](C)C[C@H](C)NCC(=O)NCC#N)n[nH]1 1134055633 KRVRNMUOMXHQFK-WDEREUQCSA-N 320.397 -0.227 30 20 DBED C=CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)CCn1ccnn1 1134193678 OXIUKNIIXADXGZ-CHWSQXEVSA-N 322.413 -0.157 30 20 DBED C=C(Cl)CNCCNC(=O)[C@@H](CCC(N)=O)NC(C)=O 1135387349 QCDRAZUNSHOAJQ-SNVBAGLBSA-N 304.778 -0.785 30 20 DBED C=CCCC(=O)NC[C@H]1CN([C@H]2CCC(=O)NC2=O)CCCO1 1149362109 OPJBSLJYVHFEJJ-STQMWFEESA-N 323.393 -0.035 30 20 DBED C[C@@H](C(=O)NC[C@H]1CN(CC#N)CCCO1)S(C)(=O)=O 1149903193 KYOPJERIWVHDIJ-QWRGUYRKSA-N 303.384 -0.850 30 20 DBED C=CCOCCNCCNC(=O)CNC(=O)c1ccccn1 1152066644 JGQIOXVIOOSHRV-UHFFFAOYSA-N 306.366 -0.280 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)[C@H](C)N2CCOCC2)C1=O 1153845284 XJYZWIDVQHJYEU-UONOGXRCSA-N 324.425 -0.800 30 20 DBED CS(=O)(=O)NCCNCCCNC(=O)c1cc(C#N)c[nH]1 1156287229 JSXXKAACCRPWMU-UHFFFAOYSA-N 313.383 -0.855 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)CCCC(=O)NC)C1=O 1156873565 AEPMEUORQMZJPF-ZDUSSCGKSA-N 324.425 -0.215 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)CC1OCCCO1 1157060671 MHLTWRLSJUCYMU-LBPRGKRZSA-N 311.382 -0.627 30 20 DBED C#CCN1CCC(C(=O)NC[C@@H](C)N(CC)CC(N)=O)CC1 1157091791 BSJXTZQIMFDBPH-CYBMUJFWSA-N 308.426 -0.357 30 20 DBED CC(C)Cc1ncc(C(=O)NCCCNCC(=O)NCC#N)[nH]1 1158045314 HZPRXDLVRXBPLE-UHFFFAOYSA-N 320.397 -0.043 30 20 DBED C[C@H](NS(C)(=O)=O)C(=O)N1CCCC[C@@H]1CN(C)CC#N 1158522692 YYLUSVCNLANMCR-NWDGAFQWSA-N 316.427 -0.239 30 20 DBED COCC#CCNCC1(CCNC(=O)CS(C)(=O)=O)CC1 1163681480 JVPRTVLXYOXFPS-UHFFFAOYSA-N 316.423 -0.443 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)CC1=CCOCC1 1165962363 RSYQOCFVJXFEGS-CYBMUJFWSA-N 307.394 -0.043 30 20 DBED C#CCNCC1(CCNC(=O)c2cnc(O)n(C)c2=O)CC1 1166525177 ISFKBPCHRUYTSR-UHFFFAOYSA-N 304.350 -0.391 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@H]1Cc2ccncc2C1 1166722686 UZPMHEZYVISBFG-AWEZNQCLSA-N 314.389 -0.358 30 20 DBED CC#CCNCCCNC(=O)C1(n2cnnn2)CCOCC1 1168043517 KLCALRBMVGHVLA-UHFFFAOYSA-N 306.370 -0.702 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)NCCCN[C@H](C)C(N)=O 1176966733 IMTUUJHOPNYXBE-SNVBAGLBSA-N 313.402 -0.780 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H]2OCCN(CC#CC)[C@@H]2C1 1176983489 UOCOGHVEJGJELF-CABCVRRESA-N 317.389 -0.549 30 20 DBED C=CCN1CC[C@@H](N[C@@H]2CCN(C(=O)CN(C)C(C)=O)C2)C1=O 1181130858 HZFSNXQKLQQPHP-ZIAGYGMSSA-N 322.409 -0.558 30 20 DBED N#CCNC(=O)CN[C@@H]1CCN(C(=O)[C@]23CCC[C@H]2OCC3)C1 1184181996 ZIIXGYJRHFXCGG-IOASZLSFSA-N 320.393 -0.224 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)C[C@H]2CCNC2=O)C1 1190622171 NWTGKZUBQSCLQY-OLZOCXBDSA-N 322.409 -0.653 30 20 DBED C=CCNC(=O)[C@H](C)N(C)[C@@H]1CCN(C(=O)c2cnn[nH]2)C1 1191119293 ODLLZDFIEVGEKR-WDEREUQCSA-N 306.370 -0.358 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@H]1CCN(C(=O)c2cncn2C)C1 1191177956 NSARETHZKUXORV-STQMWFEESA-N 317.393 -0.296 30 20 DBED N#Cc1ccc(CN2C[C@@H](O)[C@H](NC(=O)CC(N)=O)C2)c(F)c1 1191979831 XAWJUJRCXPNNOT-CHWSQXEVSA-N 320.324 -0.766 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)[C@@H](Cn2cccn2)N(C)C)C1 1193737865 IOEUZJOIUTXPLA-MGPQQGTHSA-N 307.398 -0.839 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)c2cc3n(n2)CCO3)C1 1193791958 UNBRCWOTLDQUTR-CHWSQXEVSA-N 322.365 -0.747 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)c2coc(OC)n2)C1 1195011410 HPBZVNZEUJQSPQ-ZYHUDNBSSA-N 309.322 -0.892 30 20 DBED CCNC(=O)NC(=O)[C@@H](C)N1CCCN(C(=O)[C@H](C)C#N)CC1 1195322359 YLMWXEYTFQBSHG-VXGBXAGGSA-N 323.397 -0.085 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2cnoc2CC)C1 1196490166 OCGSCHTXMRARMV-VXGBXAGGSA-N 322.365 -0.686 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)CC[C@@H](C)CC)C1 1197139315 LGSIFZZOBTWVNV-BFHYXJOUSA-N 309.410 -0.277 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)CC(=O)NCC(F)(F)F)C1 1197327477 XVDKBFZGBNTPNV-NXEZZACHSA-N 321.299 -0.760 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCCN(C(=O)CN2CCCC2)CC1 1198097475 BURLLGUOZQWFHT-OAHLLOKOSA-N 320.437 -0.246 30 20 DBED C=CCOCCN1CCCN(C(=O)CS(=O)(=O)NC)CC1 1198143187 SZNMDOQCWKASIP-UHFFFAOYSA-N 319.427 -0.728 30 20 DBED C#CCNC(=O)[C@H](C)NC1CCN(C(=O)c2cn[nH]c2)CC1 1199471400 VMXMHWJCDGJVIG-NSHDSACASA-N 303.366 -0.258 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CCN(C(=O)[C@@H](C)COC)CC1 1199796774 JXRIPTAKIOSPTC-QWHCGFSZSA-N 309.410 -0.013 30 20 DBED C=CCCNC[C@H]1CN(C(=O)Cn2cnnc2O)CCCO1 1200298136 CJYQUGYUDTYAKY-LBPRGKRZSA-N 309.370 -0.233 30 20 DBED O=C(CNC[C@H]1CN(C(=O)C#CC2CC2)CCCO1)NC1CC1 1200452966 PHPLJYQPWGJFBN-HNNXBMFYSA-N 319.405 -0.115 30 20 DBED N#CCNC[C@@H]1CN(C(=O)c2cn3c(n2)COCC3)CCCO1 1200808146 ZBPOYBFBFBQITP-GFCCVEGCSA-N 319.365 -0.242 30 20 DBED Cn1cc(C(=O)N2CCCO[C@H](CNCC#N)C2)ccc1=O 1200872769 BGRJCSIJYIVTTD-CYBMUJFWSA-N 304.350 -0.270 30 20 DBED C#CCCNC[C@H]1CN(C(=O)[C@@H]2CCN(C)C2=O)CCCO1 1201206239 WPPQBFVWZSWBSC-UONOGXRCSA-N 307.394 -0.305 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)CCCO1 1201403103 HTENFKDXXGAHLR-HZSPNIEDSA-N 323.393 -0.750 30 20 DBED C=CCNC[C@@H]1CN(C(=O)[C@@H](C)NS(C)(=O)=O)CCCO1 1201507443 VUAAOSRUXAVHHV-VXGBXAGGSA-N 319.427 -0.683 30 20 DBED C#Cc1ccc(C(=O)N2CCCO[C@H](CNCC(N)=O)C2)nc1 1201891468 MJJMSUPOZHFBOW-CYBMUJFWSA-N 316.361 -0.631 30 20 DBED C=CCN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)CNC(=O)CNC(C)=O)C2 1204502586 LCYKNEICJLKSSB-MGPQQGTHSA-N 322.409 -0.606 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)C2=CCOCC2)[C@H](C)C1 1206897082 HIDASOKKAGPJGD-UMVBOHGHSA-N 319.405 -0.093 30 20 DBED CCN(CCC#N)C(=O)CN[C@H]1CCCN(C(=O)CC(N)=O)C1 1207724662 BWXHRXQSMBPVAN-LBPRGKRZSA-N 323.397 -0.795 30 20 DBED CC(C)C#CC(=O)N1CCC[C@H](NCCNS(C)(=O)=O)C1 1208009358 YFPSHBJCZDGCEA-ZDUSSCGKSA-N 315.439 -0.224 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)c1csnn1 1208198661 CHJSKEYBPRQAOW-RKDXNWHRSA-N 308.367 -0.772 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCCN(C(=O)c2csnn2)C1 1208805679 FVNRESIGAOPXRA-QWRGUYRKSA-N 321.406 -0.130 30 20 DBED C#CCCCC(=O)N1CCO[C@@H]2CN(Cc3nnnn3C)C[C@@H]21 1217752115 AUJPNNMJCQLELL-QWHCGFSZSA-N 318.381 -0.575 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CN(CC#Cc2ccccc2)C[C@@H]1O 1219104951 KXQHSVBVJFODNQ-CVEARBPZSA-N 315.373 -0.665 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)CC2OCCCO2)C1 1219510730 CVHRVWJIRILUTG-OLZOCXBDSA-N 314.382 -0.497 30 20 DBED C[C@H](NC(=O)c1cccs1)C(=O)N[C@@H]1CN(CC#N)C[C@@H]1O 1220102190 NSYLTKHSRJAXOR-AXFHLTTASA-N 322.390 -0.449 30 20 DBED N#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@]23CCCC[C@H]2C3)C1 1220308487 DRWIXSGRLGGYAK-RSUWNVLCSA-N 320.393 -0.632 30 20 DBED COC[C@H](C)C(=O)N1C[C@H]2CCN(CC(=O)NCC#N)C[C@H]21 1221439617 DAJPSMLGCWHMFN-YNEHKIRRSA-N 308.382 -0.559 30 20 DBED C#CCNC(=O)CC(=O)NC1CCN(Cc2ccon2)CC1 1226961720 KPQSJGFSQDPOOT-UHFFFAOYSA-N 304.350 -0.105 30 20 DBED CC#CCN1CCC(NC(=O)CCn2cc[nH]c(=O)c2=O)CC1 1229642033 XLEGQNOTQBXZFV-UHFFFAOYSA-N 318.377 -0.469 30 20 DBED Cc1ncncc1C(=O)N(C)C[C@@H]1CCN1CC(=O)NCC#N 1230900497 UBKWTPOIMSMTJC-LBPRGKRZSA-N 316.365 -0.429 30 20 DBED C=C[C@H]1CCCCN1C(=O)C(=O)NC[C@H]1CN(C)CCN1C 1258384453 XALHOTABCFZTNG-KBPBESRZSA-N 308.426 -0.085 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N1C[C@H](C)O[C@H](C(=O)OC)C1 1261518450 SICSHAIUADDNMH-STQMWFEESA-N 320.345 -0.740 30 20 DBED CCCN(C)CC(=O)N[C@H]1CCCN(CC(=O)NCC#N)C1 1266246406 OXGGECXPSPAIHO-ZDUSSCGKSA-N 309.414 -0.451 30 20 DBED C#CCCCCNC(=O)C(=O)N[C@@H]1CCc2nc(C)nn2C1 1322669531 DCSNJZBRNVDAKT-GFCCVEGCSA-N 303.366 -0.063 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1 1323767869 UYJIXXCLYNAZEZ-MNOVXSKESA-N 311.382 -0.181 30 20 DBED C[C@@H](Cc1ccncc1)NC(=O)C(=O)N1CCO[C@H](C#N)C1 1323774797 BAWYMKFTHKZOAL-WCQYABFASA-N 302.334 -0.120 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)NCCc1cn2c(n1)SCC2 1324208695 ACEYXUVEKLQNOW-SNVBAGLBSA-N 324.406 -0.035 30 20 DBED Cc1nccn1CCCNC(=O)C(=O)N1CCO[C@@H](C#N)C1 1325559353 LEFVWFUGNGGKLD-LBPRGKRZSA-N 305.338 -0.551 30 20 DBED C#Cc1cccc(CNC(=O)C(=O)NC2CN(C(=O)OC)C2)c1 1325584172 BRXYZNJNCHOMGH-UHFFFAOYSA-N 315.329 -0.149 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N[C@H]2CC[C@H](OC)C2)nn1 1325941283 ZZDYSQJQODSPPL-JQWIXIFHSA-N 307.354 -0.236 30 20 DBED COc1cnc(NC(=O)C(=O)N2CC[C@](O)(CC#N)C2)s1 1329303335 UFHQKUGTPYDFKG-GFCCVEGCSA-N 310.335 -0.033 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N1CCC[C@@H](C(=O)NC2CC2)C1 1329626043 IRZYPHIMULOSDA-NEPJUHHUSA-N 323.393 -0.179 30 20 DBED Cn1cnc(CNC(=O)C(=O)NCCc2ccc(C#N)cc2)n1 1330487896 BFJJCKCXMMQYDZ-UHFFFAOYSA-N 312.333 -0.338 30 20 DBED C=CCN(C(=O)C(=O)N[C@H]1CC(=O)N(C2CC2)C1)[C@@H](C)COC 1334087610 ZVGBVOLWXAWXAE-RYUDHWBXSA-N 323.393 -0.085 30 20 DBED N#CCC1(CNC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)CC1 1336149689 JKQNXQBMQICEOG-CYBMUJFWSA-N 315.377 -0.005 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@H]([C@H](C)O)C2)C1=O 1337483379 QPBWZAPMMLBHPW-UWVGGRQHSA-N 309.322 -0.808 30 20 DBED C=CC[C@H](NC(=O)C(C)(C)NS(C)(=O)=O)C(=O)OCC 1337799695 JSLWEXYOBWYAMC-VIFPVBQESA-N 306.384 -0.062 30 20 DBED C#CCN(CC)C(=O)C(=O)Nc1ccn(CC(=O)N(C)C)n1 1340168822 BBHNQDBESUWRFI-UHFFFAOYSA-N 305.338 -0.609 30 20 DBED COCCNC(=O)[C@H](C#N)C(=O)[C@@H]1CCc2nnn(C)c2C1 1343476279 BVAAWZOHIWKQSZ-NXEZZACHSA-N 305.338 -0.609 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N[C@H]1CCO[C@]2(CCOC2)C1 1346866654 OJFVHZVQYQIYHZ-WMLDXEAASA-N 318.373 -0.074 30 20 DBED N#CCCCCNC(=O)C(=O)NCCS(=O)(=O)CC1CC1 1347079013 DEVNPYQHJVZMOG-UHFFFAOYSA-N 315.395 -0.263 30 20 DBED C=CCn1c(N2CCO[C@@H](C(=O)NC)C2)nnc1C1(O)CCC1 1351473747 ZIYPBZCAKFGYNQ-LLVKDONJSA-N 321.381 -0.213 30 20 DBED N#Cc1cn(CCNC(=O)[C@H](O)c2ccccc2)c(=O)nc1O 1362687058 GNGPUVJANARLSP-GFCCVEGCSA-N 314.301 -0.330 30 20 DBED Cn1c(N[C@@H](CO)C[C@H]2CCCO2)c(C#N)c(=O)n(C)c1=O 1364253847 UQYTWFCHOYIYAW-NXEZZACHSA-N 308.338 -0.702 30 20 DBED COC[C@@H](OC)C(=O)NCC1CN(C(=O)c2c[nH]c(C#N)c2)C1 1374906727 ZLPJFCJHDJQRFW-CYBMUJFWSA-N 320.349 -0.264 30 20 DBED CC[C@@H](CNC(=O)CCCS(C)(=O)=O)NC(=O)[C@H](C)C#N 1375148672 ZVQKYSKDHDVJAF-MNOVXSKESA-N 317.411 -0.018 30 20 DBED CC(C)S(=O)(=O)CC(=O)N(C)CCNC(=O)[C@H](C)C#N 1387080272 ITYJGXQEQGQFCZ-SNVBAGLBSA-N 303.384 -0.456 30 20 DBED C[C@@H](C#N)C(=O)NCC1CN(C(=O)Cn2cc(C3CC3)nn2)C1 1389924136 RGNHVRGBBWQITC-JTQLQIEISA-N 316.365 -0.110 30 20 DBED C[C@@H](C#N)C(=O)NC[C@](C)(NC(=O)c1cn(C)nn1)C1CC1 1390830480 LFWRFEIYLXCPFT-XPTSAGLGSA-N 304.354 -0.011 30 20 DBED COCC(=O)N(C)CC(=O)NC[C@@H](C)N(C)C(=O)[C@H](C)C#N 1395105534 OUAMDANQWGMTFW-GHMZBOCLSA-N 312.370 -0.786 30 20 DBED CCN(CCNC(=O)[C@@H](C)C#N)C(=O)[C@H]1CCS(=O)(=O)C1 1398131438 AFUVHCHWVVZKOM-QWRGUYRKSA-N 315.395 -0.455 30 20 DBED COCCN(CCNC(=O)[C@H](C)C#N)C(=O)Cn1ccc(C)n1 1405762003 OWFJBOGTRDAUAR-GFCCVEGCSA-N 321.381 -0.058 30 20 DBED C[C@H](CCC#N)N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 1412961587 PSPKEMHTPLJZDB-UPJWGTAASA-N 301.412 -0.546 30 20 DBED C[C@@H](CNC(=O)[C@H](C)C#N)NC(=O)c1cnn(CCN(C)C)c1 1416916411 ZZGDSIFVGWWYMG-NEPJUHHUSA-N 320.397 -0.161 30 20 DBED Cn1cncc1CN1CC(O)(CNC(=O)c2cc(C#N)c[nH]2)C1 1423826466 HNCFDLGKPNLYKM-UHFFFAOYSA-N 314.349 -0.403 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)NC1CN(c2ccncn2)C1 1424540666 UXNDMOXHLYOMEU-LLVKDONJSA-N 324.410 -0.019 30 20 DBED N#Cc1cn(CCC(=O)N2C[C@@H]3C[C@]3(CO)C2)c(=O)nc1O 1433915955 NQFNTMMRKGTXTM-IINYFYTJSA-N 304.306 -0.949 30 20 DBED CO[C@H](C)C(=O)NCc1nc(O)cc(CNC(=O)[C@@H](C)C#N)n1 1446056388 QLPKTLBDLBRTGR-DTWKUNHWSA-N 321.337 -0.391 30 20 DBED CCN1CCOC[C@H]1C(=O)N(C)CCN(C)C(=O)[C@@H](C)C#N 1452167802 XJJIJLKFGLQTHT-STQMWFEESA-N 310.398 -0.216 30 20 DBED CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@@](F)(C#N)C1 1466908363 LVVLEDSKMYHORD-IINYFYTJSA-N 312.345 -0.143 30 20 DBED CNC(=O)Cc1noc(CN2CC(CNC(=O)[C@@H](C)C#N)C2)n1 1481617241 BMQDTECMFIJXLV-VIFPVBQESA-N 320.353 -0.934 30 20 DBED CCCN(CCNC(=O)[C@H](C)C#N)C(=O)[C@@H]1CC(=O)NC(=O)N1 1529649937 IDYPOTXZFYYJAO-ZJUUUORDSA-N 323.353 -0.901 30 20 DBED N#CCCN1CCN(C(=O)NC[C@@H]2CCC3(CNC3)O2)CC1 1580052151 YGMYWHGXFVTLLC-ZDUSSCGKSA-N 307.398 -0.252 30 20 DBED C#CC1(Nc2c(-c3nn[nH]n3)c(=O)n(C)c(=O)n2C)CCCC1 1588333555 WQFZIQPSYJYUIS-UHFFFAOYSA-N 315.337 -0.378 30 20 DBED C=C(C)CCC(=O)NC[C@H](CO)N=c1cc[nH]c(C(=O)O)n1 1588554553 IZGWRTGSVTXLLL-SNVBAGLBSA-N 308.338 -0.158 30 20 DBED C[C@@H](NC(=O)[C@@H](C#N)Cc1ccc(-c2nn[nH]n2)cc1)C(N)=O 1589915787 OTYNWAVDEZPCCL-LDYMZIIASA-N 313.321 -0.461 30 20 DBED CN(C(=O)Cn1cnc(-c2nn[nH]n2)n1)[C@@H]1CCC[C@@H]1C#N 1590986354 PCTMNKQVDOMLCW-RKDXNWHRSA-N 301.314 -0.391 30 20 DBED C[C@@]1(C#N)CCCN(C(=O)C(=O)N2CCO[C@H](CC(=O)O)C2)C1 1593740805 VVLZSBFCKOYCHE-ABAIWWIYSA-N 323.349 -0.159 30 20 DBED CN(CCC#N)S(=O)(=O)N1CC[C@@]2(CC(C(=O)O)=NO2)C1 1598468754 JKGQYFBIPGPUBK-LLVKDONJSA-N 316.339 -0.618 30 20 DBED O=C(NCCN/C(O)=C1/N=CC=CC1=O)NC[C@H](F)C(=O)O 1601503155 AKWOMYUCBPUECX-NTQIJVKTSA-N 314.273 -0.765 30 20 DBED C#CCN(CC(=O)O)C(=O)c1sc(S(N)(=O)=O)cc1C 1602692433 PDKWJTNKXXXBPE-UHFFFAOYSA-N 316.360 -0.136 30 20 DBED N#Cc1ncn(CCNC(=O)NCc2nc(C3CC3)no2)n1 1645772830 POROVFOMCCWIGA-UHFFFAOYSA-N 302.298 -0.090 30 20 DBED CS(=O)(=O)N=S1(=O)CCN(c2cc(C#N)cnn2)CC1 1645957634 HDSMEVKANXUQBL-UHFFFAOYSA-N 315.380 -0.404 30 20 DBED Cc1nccnc1CCNS(=O)(=O)N1CCO[C@@H](C#N)C1 1649817085 CXTAVLIWQOUHNO-NSHDSACASA-N 311.367 -0.614 30 20 DBED C#CCOCCC(=O)N[C@H]1CCCN(Cc2cn(C)nn2)C1 1713061085 QZYFCAFNICIZBT-ZDUSSCGKSA-N 305.382 -0.064 30 20 DBED C#CCNC1CCC(NC(=O)CC[C@H]2NC(=O)NC2=O)CC1 1752854705 SGAATUUYNSLRHJ-HTAVTVPLSA-N 306.366 -0.375 30 20 DBED C=CCNC(=O)CN[C@H]1CCC[C@H](NC(=O)c2cnn[nH]2)C1 1752973249 GMCWRDJUODOKCM-QWRGUYRKSA-N 306.370 -0.263 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C[C@H]1CN2C(=O)CCCCC(N)=O 1753426002 JFVYZEPIHBNLFL-STQMWFEESA-N 322.409 -0.381 30 20 DBED COCC#CCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1nonc1C 1753426209 QJOBLTWTZNTDEO-STQMWFEESA-N 304.350 -0.145 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H](C)CNCCS(C)(=O)=O 1754229701 PFTUIJCJPAPWLI-OLZOCXBDSA-N 315.439 -0.777 30 20 DBED C=CCn1cc(C(=O)N[C@H](C)CN[C@H]2CCCN(C)C2=O)nn1 1754244320 WIQCNEQLSSEOKM-NEPJUHHUSA-N 320.397 -0.207 30 20 DBED CO[C@@H](C(=O)N[C@H](C)CNCC(=O)NCC#N)C1CCCC1 1754252822 LPPVANKWTFESIN-BXUZGUMPSA-N 310.398 -0.074 30 20 DBED C=CCn1cc(C(=O)N[C@@H](C)CN(C)CC(=O)N(C)CC)nn1 1754326714 PQODCBHOSLXJMA-LBPRGKRZSA-N 322.413 -0.008 30 20 DBED CC#CCNC1(CNC(=O)CCS(=O)(=O)N(C)C)CC1 1754536099 UELUCNXGRHGQSP-UHFFFAOYSA-N 301.412 -0.470 30 20 DBED C=CCNC(=O)CNC[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)NC1 1754613654 SDUPVJBHPHZDEL-OLZOCXBDSA-N 322.409 -0.605 30 20 DBED C#CCOCCC(=O)N[C@]1(C)CCN(CC(=O)NCC#N)C1 1754669431 BVNQFFICPPNKOC-OAHLLOKOSA-N 306.366 -0.753 30 20 DBED COCC#CCN1CCC[C@@](CO)(NC(=O)Cc2ccon2)C1 1754852413 GRKHCUGWDZPLKG-MRXNPFEDSA-N 321.377 -0.190 30 20 DBED C=CCCC(=O)N1CCO[C@@H](CNCCN2CCNC2=O)C1 1754995024 FOHASISUZUBCGM-ZDUSSCGKSA-N 310.398 -0.205 30 20 DBED N#CCN[C@]1(CO)CCCN(C(=O)c2cn3cccnc3n2)C1 1755085452 GPMRYBLDWLQMBQ-OAHLLOKOSA-N 314.349 -0.190 30 20 DBED C=CCNC(=O)CN[C@H](C)[C@@H](C)NC(=O)c1cc(OC)ncn1 1755254312 OMDOCIXMDPRBJV-GHMZBOCLSA-N 321.381 -0.116 30 20 DBED C#CCNC(=O)CN[C@H](C)[C@@H](C)NC(=O)Cn1ccnc1C 1755271099 VJHRGVBXVJHHQK-VXGBXAGGSA-N 305.382 -0.576 30 20 DBED C=CCN[C@H](C)[C@H]1CN(C(=O)CN2CCCNC2=O)CCO1 1755445270 QUALIEOJZGLBHG-CHWSQXEVSA-N 310.398 -0.207 30 20 DBED C[C@@H](C#N)C(=O)NCCOCCN(C)[C@@H]1CCC(=O)NC1=O 1755539977 WJXPNIHTAPJBOS-WDEREUQCSA-N 310.354 -0.984 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H](CO)CNC(=O)c1c[nH]c(C#N)c1 1755625330 JCAFCLIWHRUEKP-GXFFZTMASA-N 319.365 -0.743 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)Cc2nonc2C)[C@H]1C 1755665471 WWVKSMJRKUXEDD-NWDGAFQWSA-N 319.365 -0.751 30 20 DBED C#CCCN[C@@H]1C[C@H](C)N(C(=O)CNS(=O)(=O)CC)C1 1755676916 SPLAEWCFCJWFTB-NWDGAFQWSA-N 301.412 -0.472 30 20 DBED COCC#CCNC[C@@H](O)CN(C)C(=O)c1cc(C)nn1C 1755773389 POFHFPKGAZHFCS-CYBMUJFWSA-N 308.382 -0.599 30 20 DBED N#CCSCC(=O)NC1(CCO)CN(C(=O)c2ccon2)C1 1756076993 QLGVKMJYSSJZKG-UHFFFAOYSA-N 324.362 -0.375 30 20 DBED C[C@H](CN(C)C(=O)[C@@H]1CC(=O)N(C)C1)NC(=O)C#CC1CC1 1756462439 VMYFLCHBWRBBCM-DGCLKSJQSA-N 305.378 -0.159 30 20 DBED C=C[C@H](CC)CC(=O)NC[C@@H](O)CN(C)C(=O)c1cnn[nH]1 1756670160 VRAIGRHZHZCOPI-GHMZBOCLSA-N 309.370 -0.044 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(C(=O)c2cn(C)cn2)C[C@@H]1O 1757168738 FXOUXVWYVUSPKP-YPMHNXCESA-N 304.350 -0.475 30 20 DBED CS(=O)(=O)N1CC(CNCc2cnc3c(C#N)cnn3c2)C1 1771751144 OCXDMCFIWDNDTJ-UHFFFAOYSA-N 320.378 -0.418 30 20 DBED C[C@@H](C#N)CN(C)c1nnc(CCN(C)S(N)(=O)=O)n1C 1772362420 BSCOYDRREUWIIB-VIFPVBQESA-N 315.403 -0.911 30 20 DBED C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3nccnc3C)C2)C1 1779785035 LYWWGGJGUDPUKF-MRXNPFEDSA-N 314.345 -0.138 30 20 DBED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ncc[nH]3)[C@H]2C1 1785785192 KGKVBUDNPJXGOI-SRVKXCTJSA-N 302.334 -0.364 30 20 DBED COCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC#N)C[C@@H]21 1786491465 OUCSVLASLNFBIU-AVGNSLFASA-N 309.366 -0.084 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)=O)C2 1793342382 KINHXEXBKGCEPB-FQUUOJAGSA-N 322.361 -0.797 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COC 1795204497 NLBBMONIFURSBX-XPCVCDNBSA-N 324.377 -0.739 30 20 DBED O=C(O)C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1CCOC1)C2 1801991380 JETOFNDOPDYTMN-FVCCEPFGSA-N 320.345 -0.251 30 20 DBED N#CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)C(O)O)n[nH]1 1814706445 CFSLUUVMVPASDR-VIFPVBQESA-N 307.310 -0.374 30 20 DBED C#CC(=O)N1CC2(CCCN2C(=O)CCN2CCN(C)CC2)C1 1842828999 XOMKTKBTQKXTPW-UHFFFAOYSA-N 318.421 -0.540 30 20 DBED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)[C@H]1CCC=CO1)C2 1846195893 OCKRKVHMJNZLKB-GFCCVEGCSA-N 318.329 -0.030 30 20 DBED CS(=O)(=O)NCCCNC(=O)C(=O)Nc1cccc(C#N)c1 41854108 GIGXIOYORYWTDF-UHFFFAOYSA-N 324.362 -0.448 30 20 DBED C=CCN(C)C(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 152891023 KLVPLFGHBLKTMV-MNOVXSKESA-N 300.380 -0.334 30 20 DBED C/N=C(/NCCNS(C)(=O)=O)NCc1nc(C)cs1 171629143 KDCNZFBHCBBZIX-UHFFFAOYSA-N 305.429 -0.334 30 20 DBED C=CCN(CC=C)C(=O)CN1CCC[C@H](C(=O)NCCN)C1 261968102 PPQKDQQQOOHLOK-AWEZNQCLSA-N 308.426 -0.026 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)N2CCN(CCO)CC2)cc1 264404300 WPXZFBUCVXIACS-UHFFFAOYSA-N 316.361 -0.575 30 20 DBED C[C@@H](CO)N(C[C@@H](C)O)C(=O)C(=O)NCc1cccc(C#N)c1 283898124 HSUYIXYZXFUATB-NWDGAFQWSA-N 319.361 -0.235 30 20 DBED C[C@H](CN1CCOCC1)/C(O)=N/CCN1CCCS1(=O)=O 328969118 AOLYWAYHGSAQMX-GFCCVEGCSA-N 319.427 -0.053 30 20 DBED C[C@H]1CS(=O)(=O)C[C@H]1/N=C(/O)CN1CCN(C)C(=O)C1 329604352 YWSRBIYHDWSKPO-VHSXEESVSA-N 303.384 -0.850 30 20 DBED CC(C)N1CCC(O)(C/N=C(/O)N[C@@H]2CCN(C)C2=O)CC1 329952183 IRBOCAPJOBCAGS-GFCCVEGCSA-N 312.414 -0.044 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)NCC(=O)N1CCOCC1 336940838 JKCMTQMKBBKYMS-NSHDSACASA-N 318.399 -0.839 30 20 DBED C=C[C@@](C)(O)CC(=O)N(CCOC)[C@H]1CCS(=O)(=O)C1 346351354 GIPHTZIMYITFQW-WCQYABFASA-N 305.396 -0.024 30 20 DBED C[C@@H]1[C@@H](N2CCOCC2)CCN1S(=O)(=O)N(C)CCC#N 349782633 ZVPJRZWNVBIWQF-OLZOCXBDSA-N 316.427 -0.128 30 20 DBED Cc1cccc(C[C@@H](CO)NC(=O)NCC(=O)NCC#N)c1 358313931 OBQYRTHRHLEMEK-ZDUSSCGKSA-N 304.350 -0.163 30 20 DBED CC1(C#N)CN(S(=O)(=O)c2cccc(S(N)(=O)=O)c2)C1 360541427 UUGJLJQYKQACKM-UHFFFAOYSA-N 315.376 -0.132 30 20 DBED N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC1[C@H]2CNC[C@H]12 366302088 GKYPNLNHJXGICC-IUCAKERBSA-N 308.319 -0.037 30 20 DBED C#CCCS(=O)(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O 377364478 VDRSASICAMVKEM-LLVKDONJSA-N 310.379 -0.142 30 20 DBED COCCN(CC(=O)O)S(=O)(=O)c1cnc(C)c(C#N)c1 386802404 ODDXWZYYOMHXQB-UHFFFAOYSA-N 313.335 -0.017 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N[C@H]2CCCCNC2)nn1 424537959 CWIYHTSPORMMFO-NSHDSACASA-N 306.370 -0.661 30 20 DBED C[C@H](CC(N)=O)Nc1ccc(C#N)c(N[C@H](C)CC(N)=O)n1 436385741 OIPREXBDLGJVJT-RKDXNWHRSA-N 304.354 0.305 30 20 DBED COC(=O)CCNC(=O)Cn1cc2c(c(C#N)c1=O)CCC2 447423602 RAIFPBRAJNJVAY-UHFFFAOYSA-N 303.318 -0.112 30 20 DBED COC(=O)[C@@H]1CNC(=O)CN1CC(=O)Nc1cccc(C#N)c1 447918824 SYUHYKASVNXVLH-LBPRGKRZSA-N 316.317 -0.530 30 20 DBED C#CCN1CCN(C(=O)CN2CC[C@H](COCCOC)C2)CC1 490739622 FNUCRJWSBBHKHR-INIZCTEOSA-N 323.437 -0.251 30 20 DBED C#C[C@H](C)N(C)CC(=O)c1c(O)nc(=O)n(CCOC)c1N 491327060 SMAQBDZKIPELJH-VIFPVBQESA-N 308.338 -0.686 30 20 DBED C[C@@H](C#N)CNC(=O)NCCNS(=O)(=O)c1cccnc1 542880847 IXGCOGFMRUCIFN-JTQLQIEISA-N 311.367 -0.181 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@H](CC(=O)O)C(=O)O 566682241 OXWYPEQYFNEMPK-IUCAKERBSA-N 321.355 -0.522 30 20 DBED CN1CCC(N2CC[C@H](NC[C@H](O)CN(C)CCC#N)C2)CC1 591736936 PBEXYXLQIXUHND-RDJZCZTQSA-N 323.485 -0.049 30 20 DBED COC(=O)[C@@H]1C[C@H](O)CN(S(=O)(=O)c2ccc(C#N)o2)C1 592110592 BBLBOOBJQIHKFM-BDAKNGLRSA-N 314.319 -0.304 30 20 DBED CC(C)n1cc(C#N)c(NC(=O)C(=O)N[C@@H]2CO[C@@H](C)C2)n1 592316526 RQJJUHLOPGOKPT-ONGXEEELSA-N 305.338 0.568 30 20 DBED N#Cc1ccnc(N2CCN(C(=O)[C@H]3CCO[C@@H]3CN)CC2)c1 595918372 ACIINCFUUYGGQX-UONOGXRCSA-N 315.377 -0.034 30 20 DBED N#Cc1sccc1N1CCN(C(=O)[C@@H](CO)NC(N)=O)CC1 597936127 LTQNYAGOCMVMNE-SECBINFHSA-N 323.378 -0.702 30 20 DBED Cn1c(NCc2cc3n(n2)CCCO3)c(C#N)c(=O)n(C)c1=O 599102768 RNDICVXIOKGJME-UHFFFAOYSA-N 316.321 -0.453 30 20 DBED C[C@@H]1[C@@H](CO)CCCN1C(=O)C(=O)N1CCN(CCC#N)CC1 601497967 KFHBTWLPJLJHOB-ZIAGYGMSSA-N 322.409 -0.336 30 20 DBED CN(CC1=CCCOC1)C(=O)C(=O)N1CCN(CCC#N)CC1 601504686 PMRGOVDPHCIBQS-UHFFFAOYSA-N 320.393 -0.151 30 20 DBED CC(C)C[C@H](C#N)NC(=O)CCn1cc(S(N)(=O)=O)cn1 608825311 YUGSQAUNFYEQEW-SNVBAGLBSA-N 313.383 -0.025 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCc2cc(C)ncn2)C1=O 677459756 UJVPZPXINGPHMP-UHFFFAOYSA-N 317.305 -0.622 30 20 DBED N#Cc1cnn(CCOC(=O)Cn2cc([N+](=O)[O-])cn2)c1N 731773244 MRQSZFLOWFDPKL-UHFFFAOYSA-N 305.254 -0.315 30 20 DBED COCC#CCOC(=O)CNS(=O)(=O)c1c(C)noc1C 762764548 KGUBEOKAKHGREO-UHFFFAOYSA-N 316.335 -0.237 30 20 DBED O=C(O)Cn1cc(C=NNc2ccc(-n3cccn3)nn2)nn1 768481660 DKCGOSBBXASMIG-UHFFFAOYSA-N 313.281 -0.216 30 20 DBED CCC(=O)N1CC[C@H](C(=O)NS(=O)(=O)CCCC#N)C1 776116182 KCPGNGPMHWNDDY-JTQLQIEISA-N 301.368 -0.005 30 20 DBED COC[C@@H](C#N)OC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 785037029 FGIHAKSCZAXMKV-SNVBAGLBSA-N 311.319 -0.434 30 20 DBED C=CCCOC(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1 786195729 AOUYDMJQXONAKC-UHFFFAOYSA-N 302.308 -0.224 30 20 DBED C#C[C@H](NC(=O)C(=O)NC[C@H]1CCN(C2CC2)C1)[C@H]1CCCO1 788777010 RLWJCKBGWLXJAY-VHDGCEQUSA-N 319.405 -0.116 30 20 DBED CC(C)(C#N)CS(=O)(=O)NCCCN1C(=O)CCC1=O 790017462 MUOONRBRWASYSK-UHFFFAOYSA-N 301.368 -0.005 30 20 DBED C#CCSCCNC(=O)N1CCC(S(N)(=O)=O)CC1 799933619 UZIBIUJIDVJYRT-UHFFFAOYSA-N 305.425 -0.185 30 20 DBED C#C[C@@H](NC(=O)N1CCC(S(N)(=O)=O)CC1)[C@@H]1CCCO1 799976494 YMWHQHQAEOORAZ-NEPJUHHUSA-N 315.395 -0.370 30 20 DBED CC(=O)N1CCN(S(=O)(=O)NC(=O)CC(C)(C)C#N)CC1 813949397 UNBLLCMUTZQBBZ-UHFFFAOYSA-N 316.383 -0.549 30 20 DBED CN(CCC#N)C[C@@H](O)CNCCS(=O)(=O)C(C)(C)C 819059732 AZPQPDJATPIINQ-LBPRGKRZSA-N 305.444 -0.004 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2c(Cl)cnn2C)CC1 825968073 PCRRAMXBLUDGBW-UHFFFAOYSA-N 323.784 -0.419 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2ccc(CO)cc2)CC1 825975203 MSPCOJAKAHNNPU-UHFFFAOYSA-N 315.373 -0.314 30 20 DBED C#CCN1CCN(C(=O)CCn2cnc3c(N)ncnc32)CC1 827519851 WFWCPTXLJUZGGK-UHFFFAOYSA-N 313.365 -0.424 30 20 DBED CC(C)(CC#N)CNC(=O)C(=O)N1CC[C@@H]2COC(=O)N[C@H]2C1 834854368 WYSKFJYGFQHYTF-MNOVXSKESA-N 322.365 -0.001 30 20 DBED C#CC[C@@H](CO)NC(=O)CS(=O)(=O)NC1CCC(C)CC1 854546444 FTTCWQCHAXVAKF-BPCQOVAHSA-N 316.423 -0.015 30 20 DBED O=C1C[C@](C(=O)N[C@H]2CCCN(O)C2=O)(c2ccccc2)CN1 854649264 TXFKZAOJGLDXFL-BLLLJJGKSA-N 317.345 -0.059 30 20 DBED C#CC[C@@H](NC(=O)[C@H](C)n1cnc2c(N)ncnc21)C(=O)OC 854910324 TYNHTGINYRRHBH-DTWKUNHWSA-N 316.321 -0.349 30 20 DBED CS(=O)(=O)NC1CN(C(=O)Cc2cccc(OCC#N)c2)C1 862841635 WPWRYSCXSOUVGI-UHFFFAOYSA-N 323.374 -0.109 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N[C@@H](C)C[S@](C)=O 875322377 HSZCLFNBFZFISZ-JHTDMNASSA-N 302.396 -0.586 30 20 DBED C#CCNC(=O)CN1CCc2c(cccc2S(N)(=O)=O)C1 879675742 BABIJQAQHDYTKB-UHFFFAOYSA-N 307.375 -0.559 30 20 DBED C#CC[C@@H](CO)NS(=O)(=O)c1ccccc1Cn1cncn1 882342560 HOEIXVLCEHUZSP-ZDUSSCGKSA-N 320.374 -0.011 30 20 DBED C#C[C@H](NC(=O)[C@]1(OC)CCS(=O)(=O)C1)[C@H]1CCCO1 890028442 MMVXMRFUIVIFNK-LOWVWBTDSA-N 301.364 -0.513 30 20 DBED N#Cc1cc(C(=O)N[C@H]2CCN(C(=O)[C@@H]3COCCO3)C2)c[nH]1 937851523 OXYUKIIESYGWBE-AAEUAGOBSA-N 318.333 -0.368 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@H](N(C)C(=O)C(N)=O)C2)cn1 938968268 DHDMABPQIPKEMF-LBPRGKRZSA-N 300.318 -0.779 30 20 DBED C=CCCn1cc(C(=O)N[C@@H]2CCN(C(=O)COC)C2)nn1 940683461 CLRYKVPMBKUOJE-LLVKDONJSA-N 307.354 -0.169 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@H](CNC(=O)c2cc(=O)n(C)o2)C1 944572086 VHKBMGIKJGQDFI-NXEZZACHSA-N 322.321 -0.905 30 20 DBED C[C@@H]1CN(CC#N)CC[C@@H]1NC(=O)CN1C(=O)NC(C)(C)C1=O 944650427 AJKNCVLCUACJIE-MNOVXSKESA-N 321.381 -0.333 30 20 DBED C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1NC(=O)c1cnn[nH]1 948421701 JIJSUUYEZBWOAO-PRHODGIISA-N 313.321 -0.105 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]1CNC(=O)c1ccc2nn[nH]c2n1 950552583 GYGXZXYFBWLJEE-RKDXNWHRSA-N 313.321 -0.157 30 20 DBED CN(C)Cc1cc(C(=O)NC[C@H]2CN(CC#N)C[C@@H]2O)no1 958199473 IZKYGGNPSGEJHB-GWCFXTLKSA-N 307.354 -0.718 30 20 DBED Cn1cnc2ccc(C(=O)NC[C@H]3CN(CC#N)C[C@H]3O)nc21 958403436 FJOVZRRKILCXCG-GXFFZTMASA-N 314.349 -0.486 30 20 DBED C=C(C)CN1C[C@H](CNC(=O)c2cncc(C(N)=O)c2)[C@@H](O)C1 958699457 XYMTVJHBRMOMQB-KBPBESRZSA-N 318.377 -0.221 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cn2cncn2)C1 958969652 VWABUMIEBZDMJP-RYUDHWBXSA-N 321.381 -0.480 30 20 DBED Cc1nc2n(n1)C[C@H](C(=O)NC1[C@H]3CN(CC#N)C[C@H]13)CC2 961316996 CDHDUNIVZJDYOG-WOPDTQHZSA-N 300.366 -0.281 30 20 DBED N#Cc1cc(C(=O)N2C[C@H](O)[C@H](NC(=O)c3ccon3)C2)c[nH]1 961740728 GRBSGTLLMHJWBL-NEPJUHHUSA-N 315.289 -0.510 30 20 DBED C=CCN1C[C@@H]2C(NC(=O)Cc3c(C)nc(O)nc3O)[C@H]2C1 962126114 DABBVDJUYYPXOS-QWRGUYRKSA-N 304.350 -0.029 30 20 DBED N#Cc1ccc(C(=O)N2C[C@H](O)[C@H](NC(=O)c3ncc[nH]3)C2)[nH]1 962807468 PXFHOWKCORCCSB-MNOVXSKESA-N 314.305 -0.775 30 20 DBED Cc1nn[nH]c1C(=O)N[C@@H]1COC2(C1)CN(C(=O)[C@H](C)C#N)C2 965757757 OVJIUXHJSNAMCL-SCZZXKLOSA-N 318.337 -0.628 30 20 DBED C=CCn1cccc1C(=O)N1C[C@H](C)[C@@H](NC(=O)C(N)=O)C1 966520308 IFFNJRREXRSFDA-QWRGUYRKSA-N 304.350 -0.264 30 20 DBED C=CCN1CC[C@@H](N[C@@H]2CCN(C(=O)c3[nH]nnc3C)C2)C1=O 969545678 FORXJJBFEACCJJ-VXGBXAGGSA-N 318.381 -0.296 30 20 DBED C=CCCn1cc(C(=O)N[C@H](C)C2CN(CC(=O)NC)C2)nn1 970553063 QVNDAUGNQQUAMG-LLVKDONJSA-N 320.397 -0.350 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@]2(CN(CCn3cncn3)CCO2)C1 972298191 RBNMBUMAHFMRRT-UKRRQHHQSA-N 318.381 -0.259 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@]2(CN(CC(N)=O)CCO2)C1 972560440 BZHPSRADVBSFNZ-WWGRRREGSA-N 323.393 -0.634 30 20 DBED C#CCOc1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)C(N)=O)C2)cc1 974144196 OYYHTTHEKBPHGP-TXEJJXNPSA-N 315.329 -0.439 30 20 DBED COCCn1cc(C(=O)NCC2[C@@H]3CN(CC#N)C[C@@H]23)nn1 978139578 DCDHUGKBICNDLO-RYUDHWBXSA-N 304.354 -0.644 30 20 DBED C=C(C)CCN1CCCN(C(=O)Cn2cnc(C(N)=O)n2)CC1 981198092 XLRUGYQCRVPGEJ-UHFFFAOYSA-N 320.397 -0.123 30 20 DBED C#CCN[C@@H]1CCN(C(=O)Cn2nc3n(c2=O)CCCC3)[C@H]1C 987314627 VXSDFLQJIDROEJ-QWHCGFSZSA-N 317.393 -0.407 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2CCN(C(=O)COC)C[C@H]2O)c1 991766242 XWALHHDNQXJUAD-ZIAGYGMSSA-N 317.345 -0.599 30 20 DBED C=CCN[C@@H]1CCC[C@@H]2CN(C(=O)CN3CC(=O)NC3=O)C[C@@H]21 992865182 XGAHWBAMAPXKBP-FRRDWIJNSA-N 320.393 -0.059 30 20 DBED C#CCCN1CCC[C@H](NC(=O)CN2C(=O)CN(C)C2=O)[C@@H]1C 994359911 CBMVXXQWIZEMGL-STQMWFEESA-N 320.393 -0.127 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2CCNC2=O)C1 997427580 SKCJTMJIOLMJOO-WOPDTQHZSA-N 307.350 -0.959 30 20 DBED N#CCN[C@H]1CCCN(C(=O)C2CC3(C2)CS(=O)(=O)C3)C1 999503716 JQRGHMMYWKAWML-LBPRGKRZSA-N 311.407 -0.085 30 20 DBED C#CCN1CC[C@@H](n2cc(CNC(=O)c3cnn(C)n3)nn2)C1 1000026741 BWMGUPAMKFDGFR-GFCCVEGCSA-N 314.353 -0.783 30 20 DBED CCCN1C[C@H](C(=O)NCC2CN(C(=O)[C@H](C)C#N)C2)CC1=O 1001927041 GLAMCGLIEBYSLK-DGCLKSJQSA-N 320.393 -0.021 30 20 DBED N#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)C(N)=O)[nH]1 1005657514 UXQFXTRMPLCXNK-IEBDPFPHSA-N 301.306 -0.767 30 20 DBED C[C@H](C#N)C(=O)N1CC([C@@H](C)NC(=O)c2cc(=O)n(C)o2)C1 1005986803 GYROITKHTYJSTK-RKDXNWHRSA-N 306.322 -0.285 30 20 DBED C#CCCN1CCC[C@H](NC(=O)[C@H]2CCN(C)S2(=O)=O)C1 1008840537 NGGZFIHUZWGIFZ-QWHCGFSZSA-N 313.423 -0.376 30 20 DBED CN(C)C(=O)Cn1cc(C(=O)N[C@@H]2CCCN(CC#N)C2)nn1 1009632943 FSGYJEWUKXLSMB-LLVKDONJSA-N 319.369 -0.916 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H]2CCN(Cc3nc(O)n[nH]3)C2)c1 1010455763 BCSOYWXYMXLRLP-VIFPVBQESA-N 301.310 -0.286 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CCC(=O)N2)CC1 1011814247 BQUQJDKEPMNURZ-AGIUHOORSA-N 321.377 -0.473 30 20 DBED C=C(Cl)CN1CC[C@H](NC(=O)Cn2nc(C)n(C)c2=O)C1 1016136627 CPKZMRRBONHXIS-NSHDSACASA-N 313.789 -0.167 30 20 DBED CCc1nc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2O)co1 1023468788 GHELJFWMTQKZQE-FXPVBKGRSA-N 306.322 -0.302 30 20 DBED C=C1CCC(C(=O)N[C@@H]2CN(C(=O)c3nc[nH]n3)C[C@H]2O)CC1 1025489554 OTFSNKSQQQBFGE-VXGBXAGGSA-N 319.365 -0.147 30 20 DBED C=CCN1CC[C@@H](N2CC(CNC(=O)c3ccncn3)C2)C1=O 1032060571 VYLFDZSVYNTZRR-CQSZACIVSA-N 315.377 -0.075 30 20 DBED C#CCCN1CCCC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 1034216340 CQTBGAAVNFTTSU-GFCCVEGCSA-N 318.381 -0.629 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)[C@H]2CCc3nc(C)nn3C2)C1 1035453985 HQIUOKWPKOAECK-KBPBESRZSA-N 317.393 -0.401 30 20 DBED C#CCCN1CCO[C@H](CNC(=O)c2coc(C(N)=O)c2)C1 1035454256 JYFXLFDYOZBEGG-GFCCVEGCSA-N 305.334 -0.168 30 20 DBED COc1cc(O)ncc1C(=O)NC[C@@H]1CN(CC#N)CCO1 1035518121 KIUVZVVJIHRIPQ-SNVBAGLBSA-N 306.322 -0.250 30 20 DBED C=CCN1CCO[C@H](CNC(=O)[C@@H]2CCN(C)S2(=O)=O)C1 1035545470 SKWLMESJOFJYTR-NEPJUHHUSA-N 317.411 -0.977 30 20 DBED Cn1nc(C(=O)N2CC[C@H]3[C@@H](CCN3CC#N)C2)ccc1=O 1036887075 LKSDGIHXPRXMKF-AAEUAGOBSA-N 301.350 -0.160 30 20 DBED N#Cc1ccc(CN2C[C@H]3C[C@H]2[C@@H]3NC(=O)Cn2ncnn2)cc1 1037417941 ARCDRPCBGFZPBP-IJEWVQPXSA-N 323.360 -0.066 30 20 DBED Cc1nonc1C(=O)NC[C@@]1(O)CCN(C(=O)C#CC2CC2)C1 1040220435 JZRWJGJMQUNUPZ-HNNXBMFYSA-N 318.333 -0.515 30 20 DBED Cc1ncc(C(=O)NC[C@@]2(O)CCN(C(=O)[C@@H](C)C#N)C2)n1C 1040654624 VBNBGVHOIHKACD-BONVTDFDSA-N 319.365 -0.419 30 20 DBED C#CCCCC(=O)N1CC[C@](O)(CNC(=O)c2ccncn2)C1 1040659323 AXQBWWGVTGMMJX-INIZCTEOSA-N 316.361 -0.027 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)c2n[nH]cc2F)C1 1040834872 NUIMVZYDZZYQHN-OQPBUACISA-N 309.301 -0.598 30 20 DBED Cc1ocnc1C(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1O 1040928445 MQSRFHNAROLGEW-GHMZBOCLSA-N 314.305 -0.376 30 20 DBED N#Cc1nccc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCOC3)C2)n1 1040945208 QBMWFGNWFJXRNU-QJPTWQEYSA-N 317.349 -0.559 30 20 DBED C[C@@H]1C[C@@H]1C(=O)N1CC(O)(CNC(=O)c2c[nH]c(C#N)c2)C1 1042666738 KKHJEMGKSTXXQK-SKDRFNHKSA-N 302.334 -0.155 30 20 DBED C#CCNC(=O)CC(=O)NCC1(O)CN(C(=O)C(CC)CC)C1 1042672254 JWFDAWMUAGZOSH-UHFFFAOYSA-N 323.393 -0.748 30 20 DBED CN(C(=O)Cn1ncnn1)C1CN(CC#Cc2ccccc2)C1 1042728649 GGNMQIZYKYBEMP-UHFFFAOYSA-N 310.361 -0.133 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)[C@@H](OC)C2CC2)C1 1042842507 KQNQMZXUXGACPQ-AAEUAGOBSA-N 324.377 -0.861 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)COCCC)C1 1043039198 DHOHVSXTGWFNKW-GFCCVEGCSA-N 312.366 -0.859 30 20 DBED C#CCCN1CC(N(C)C(=O)[C@@H]2CCc3nnc(O)n3C2)C1 1043127529 GYXRSEVVPFQALH-LLVKDONJSA-N 303.366 -0.288 30 20 DBED C#CCN1CC(N(C)C(=O)Cn2nnc(-c3ccco3)n2)C1 1043193234 RQPIDOQNGBRYLW-UHFFFAOYSA-N 300.322 -0.291 30 20 DBED C=CCCOCC(=O)NCC1(O)CN(C(=O)c2cn[nH]c2)C1 1043563912 FBSPYJRYYIGJSZ-UHFFFAOYSA-N 308.338 -0.695 30 20 DBED C=C[C@@H](C)[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2cnn[nH]2)C1 1043816284 OHSZSRCJRZSVGE-NXEZZACHSA-N 307.354 -0.434 30 20 DBED Cc1cc(C(=O)N[C@@H]2CN(c3ccnc(C#N)n3)C[C@@H]2O)no1 1043824870 CAKDRKBFBUHILD-MNOVXSKESA-N 314.305 -0.376 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)c3cnccn3)C2)nn1 1043834991 OKCUMDVYSGATBZ-NEPJUHHUSA-N 311.305 -0.882 30 20 DBED N#Cc1nccc(N2C[C@H](O)[C@H](NC(=O)[C@@H]3CCCCO3)C2)n1 1043893877 UKCVEULSTOHWMX-WOPDTQHZSA-N 317.349 -0.417 30 20 DBED C=C1CC(C)(C(=O)N2CC(O)(CNC(=O)c3[nH]nnc3C)C2)C1 1044370368 FHQMJVYTOMRQJN-UHFFFAOYSA-N 319.365 -0.227 30 20 DBED C=CCCN1CC[C@@H](N2CCN(C(=O)[C@H]3CCNC3=O)CC2)C1 1046049678 VHOMIQPCIYJCJM-CABCVRRESA-N 320.437 -0.083 30 20 DBED C=C(C)CN1CC[C@H](N2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)C1 1046063586 RSVKXHSHVHDXLZ-ZNMIVQPWSA-N 320.437 -0.098 30 20 DBED C=CCN1CC[C@@](C)(NC(=O)[C@H]2CCN(C)S2(=O)=O)C1 1046698886 INCSRPZXXVLUMR-DGCLKSJQSA-N 301.412 -0.213 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)[C@H](C)c2cnn(C)c2)C1 1046929826 PNPQWYBHOBVVPD-GHMZBOCLSA-N 319.365 -0.627 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCN(C(C)=O)C2)C1 1047450484 YCXOONYIUNXEJY-ILXRZTDVSA-N 307.394 -0.618 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCCC(N)=O)C1 1049039263 KQDFASDUKQJDHX-STQMWFEESA-N 323.393 -0.669 30 20 DBED C#CCOCCC(=O)N1CC[C@@H]([C@@H](C)NC(=O)c2nc[nH]n2)C1 1050730807 ZKUCVWDGQNMHDI-VXGBXAGGSA-N 319.365 -0.189 30 20 DBED CNC(=O)CN1CCOC[C@@H]1CNC(=O)c1cc(C#N)c[nH]1 1050864561 DLSOAFLBYVDTST-NSHDSACASA-N 305.338 -0.937 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)c1cnn(CCOC)c1C 1050919161 CQVYDTSZPRPTSH-CQSZACIVSA-N 320.393 -0.098 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)c1nc2ncccn2n1 1051172162 FMXMSEUKTYWAEP-LLVKDONJSA-N 300.322 -0.812 30 20 DBED COc1cncc(CNC[C@@H]2CN(C(=O)[C@@H](C)C#N)CCO2)n1 1051495005 QESCCZXHNHZWKL-WCQYABFASA-N 319.365 -0.038 30 20 DBED C#CCOCCC(=O)NC[C@H]1CN(C(=O)CC(=O)NC)C[C@H]1C 1052450788 LBQQGROQDZASCE-OLZOCXBDSA-N 323.393 -0.627 30 20 DBED C#CCN1CC2(C1)CN(C(=O)c1cccc(C(N)=O)c1)CCO2 1053312478 MJDHXKJWENLJOE-UHFFFAOYSA-N 313.357 -0.055 30 20 DBED C#CCCN1CC2(CC[C@H](CNC(=O)[C@@H]3CCC(=O)N3)O2)C1 1053690767 NSLNHVVTXPZLIY-OLZOCXBDSA-N 305.378 -0.362 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)[C@@H]3CCS(=O)(=O)C3)CO2)C1 1053864874 LXMPKWGMYMJDJS-NEPJUHHUSA-N 312.391 -0.986 30 20 DBED C=CCOCC(=O)N1C[C@@H]2CN(C(=O)[C@H]3COC(=O)N3)C[C@@H]2C1 1055248467 NOJFWYYINDHQNS-GRYCIOLGSA-N 323.349 -0.786 30 20 DBED C=CCOCC(=O)N[C@@]1(CO)CCCN(C(=O)c2cnco2)C1 1055830894 GDKWISASHFLFBX-HNNXBMFYSA-N 323.349 -0.040 30 20 DBED N#Cc1ccc(N2C[C@@H]3C(NC(=O)Cc4ncc[nH]4)[C@H]3C2)nn1 1056277650 UPAHTIXKNGTGDK-QWRGUYRKSA-N 309.333 -0.135 30 20 DBED CCOCC(=O)N(CCO)CCNC(=O)c1cc(C#N)c[nH]1 1056864524 ATRXIFFUXUOIKF-UHFFFAOYSA-N 308.338 -0.526 30 20 DBED CN(c1cnc(C#N)cn1)[C@H]1CCN(C(=O)c2cnn(C)n2)C1 1056938722 LLVCETAFYFXJAF-NSHDSACASA-N 312.337 -0.172 30 20 DBED CN(c1ccnc(C#N)n1)[C@@H]1CCN(C(=O)Cc2nc[nH]n2)C1 1056964941 YDLKHSAXOAZUEE-SNVBAGLBSA-N 312.337 -0.254 30 20 DBED N#Cc1nc(=NC2CCN(C(=O)[C@H]3COCCO3)CC2)cc[nH]1 1057278083 UMHSNGPJEQCKMZ-GFCCVEGCSA-N 317.349 -0.412 30 20 DBED O=C(CN1CCCC1)NCCN(CCO)C(=O)C#CC1CC1 1057535936 ICFPJFOHSPJMFI-UHFFFAOYSA-N 307.394 -0.567 30 20 DBED N#Cc1nccc(N2CC[C@@H](NC(=O)c3cc[n+]([O-])cc3)C2)n1 1058276790 QGPSIPMKPMBTHY-GFCCVEGCSA-N 310.317 -0.010 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)CCc1ccnn1C 1058657071 PRDWIGOJJUAMSU-LBPRGKRZSA-N 321.381 -0.551 30 20 DBED N#Cc1nc(=N[C@H]2CCN(C(=O)c3cnnc(O)c3)C2)cc[nH]1 1058990053 KDMGUNMOTWUCES-JTQLQIEISA-N 311.305 -0.408 30 20 DBED Cn1nccc1CC(=O)N[C@H]1C[C@H](N=c2cc[nH]c(C#N)n2)C1 1059204240 NISJFGKPNSPTNN-XYPYZODXSA-N 311.349 -0.195 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1C[C@H](NC(=O)C2CS(=O)(=O)C2)C1 1059313065 RDIRHSSWWIMRTD-HAQNSBGRSA-N 320.374 -0.521 30 20 DBED N#Cc1cncc(N[C@H]2C[C@H](NC(=O)C[C@H]3CCNC3=O)C2)n1 1059324793 VXJHDERMHBVFRR-GMTAPVOTSA-N 314.349 -0.066 30 20 DBED C#CCOCCC(=O)NCC[C@@H]1CCN(C(=O)CC(=O)NC)C1 1059525767 DJTKTZAQUDBPJV-CYBMUJFWSA-N 323.393 -0.483 30 20 DBED C=CCOCC(=O)N1CCOC[C@H]1CNC(=O)CCOCC 1061405056 IDBOJSSUEUIJBU-CYBMUJFWSA-N 314.382 -0.041 30 20 DBED C=CCCC(=O)NC[C@H]1COCCN1C(=O)CCNC(N)=O 1061410115 KOLOKZRMLTYNMT-NSHDSACASA-N 312.370 -0.645 30 20 DBED C=CCCC(=O)N1CCOC[C@@H]1CNC(=O)COCCOC 1061437110 PABPZHFHEPQLQB-ZDUSSCGKSA-N 314.382 -0.041 30 20 DBED CC(=O)NCC(=O)N1CCOC[C@@H]1CNC(=O)C#CC(C)C 1061557800 CVQCEAPWJRAECH-ZDUSSCGKSA-N 309.366 -0.875 30 20 DBED C=C(C)CCC(=O)NC[C@@H]1COCCN1C(=O)CC(=O)NC 1061629278 PNWAQLWXKOMPFX-GFCCVEGCSA-N 311.382 -0.178 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](CN(C)c2ccc3nnnn3n2)C1 1062095522 AGLBMLLCFOKEIP-QWRGUYRKSA-N 314.353 -0.036 30 20 DBED C=CCOCC(=O)NC1(CNC(=O)C2(C(=O)NC)CC2)CCC1 1063611285 SLBJVRPTBGYYMJ-UHFFFAOYSA-N 323.393 -0.130 30 20 DBED N#Cc1nccnc1NC[C@@H]1CCCN1C(=O)Cn1ncnn1 1064956797 NBEVDDSWMIKOQW-JTQLQIEISA-N 313.325 -0.562 30 20 DBED CCNC(=O)CC(=O)N1CCO[C@@H](CNC(=O)C#CC2CC2)C1 1065067625 NOSREQOCXNLDAL-ZDUSSCGKSA-N 321.377 -0.730 30 20 DBED C=CC(C)(C)C(=O)NC[C@@H]1CN(C(=O)c2cn(C)nn2)CCO1 1065113818 QORFGCADCWMLHE-LLVKDONJSA-N 321.381 -0.016 30 20 DBED C#CCO[C@H](C)C(=O)N1CCO[C@@H](CNC(=O)c2cnco2)C1 1065153439 WESYYTYMWFDMEW-NEPJUHHUSA-N 321.333 -0.330 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CN(C(=O)[C@@H]2[C@H]3COC[C@H]32)CCO1 1065481606 ZDWSCRJMSYPDKV-OBPIAQAESA-N 307.350 -0.618 30 20 DBED Cn1cnc(C(=O)NC[C@H]2[C@@H]3CN(c4ccnc(C#N)n4)C[C@H]23)n1 1068170198 BXZPXIBMWBHAFB-RTCCRHLQSA-N 324.348 -0.411 30 20 DBED C=CCOCC(=O)N1CC2(C[C@@H](NC(=O)c3ccon3)CO2)C1 1068722804 TXXUVPGANUXEFY-LLVKDONJSA-N 321.333 -0.023 30 20 DBED C=CCCC(=O)N[C@H]1COC2(C1)CN(C(=O)CNC(=O)NC)C2 1068756596 FJAWCRASWKGVQH-LLVKDONJSA-N 324.381 -0.632 30 20 DBED C=C[C@H](CC)CC(=O)NCC1(NC(=O)C(N)=O)CCOCC1 1070230100 WBVBTXSLBHYDOL-LLVKDONJSA-N 311.382 -0.144 30 20 DBED N#CCN[C@@H]1CN(C(=O)[C@]2(F)CCOC2)C[C@@H]1n1ccnn1 1070259338 JUUPHOBIIIWBKP-MDZLAQPJSA-N 308.317 -0.728 30 20 DBED N#CCN[C@@H]1CN(C(=O)[C@@]2(F)CCOC2)C[C@@H]1n1ccnn1 1070259339 JUUPHOBIIIWBKP-NTZNESFSSA-N 308.317 -0.728 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1c1cn(C)cn1 1070491595 UJQMCHZWPRXIED-WCQYABFASA-N 313.365 -0.620 30 20 DBED C=CCOCC(=O)N1CCC[C@@H](NC(=O)[C@]2(C)CNC(=O)C2)C1 1070554546 VHILNOITJLJOEN-WBMJQRKESA-N 323.393 -0.178 30 20 DBED C#CCN1CC[C@@]2(C1)CN(C(=O)c1cn(C)nn1)C[C@@H](C)O2 1071164302 KAKMTFZUOLXLMR-IUODEOHRSA-N 303.366 -0.246 30 20 DBED C#CCN1CC[C@]2(C1)CN(C(=O)C(C)(C)C(N)=O)C[C@H](C)O2 1071178071 KIWZXPVVJOFSRM-LRDDRELGSA-N 307.394 -0.177 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1C 1072636979 XMWYUOSPLAERKR-VXGBXAGGSA-N 305.378 -0.126 30 20 DBED Cn1nnc2c1C[C@@H](C(=O)N1CC3(CCN(CC#N)C3)C1)CC2 1072918161 WMXQFUPKVHINGV-LBPRGKRZSA-N 314.393 -0.022 30 20 DBED C#CCCN1CCCO[C@H](CNC(=O)[C@@H]2COCCN2C)C1 1073578230 HFQQQLJHOCMIIU-CABCVRRESA-N 309.410 -0.453 30 20 DBED CC#CCN1CCCO[C@@H](CNC(=O)C2CN(C(C)=O)C2)C1 1073585459 JCQBOYZWKHAQMZ-HNNXBMFYSA-N 307.394 -0.305 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)[C@H]2CCNC(=O)CC2)C1 1073714367 QWTYCYYSIKVRHD-KGLIPLIRSA-N 307.394 -0.257 30 20 DBED C#CCCN1CCCO[C@H](CNC(=O)c2cc(C(N)=O)c[nH]2)C1 1073836333 AZWQQSYDNKBUCR-CYBMUJFWSA-N 318.377 -0.042 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(O)(CNC(=O)[C@@]23COC[C@@H]2C3)CC1 1074706393 KOLXSJGLDMLJQQ-MKBNYLNASA-N 321.377 -0.348 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](NC(=O)COC)C[C@@H]1C 1074768401 MGVFREIOWKYIOD-RYUDHWBXSA-N 309.366 -0.732 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCn3c(cnc3C)C2)C1 1077683104 ZMAZWZMRACXUPL-NUEKZKHPSA-N 316.405 -0.061 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCN2C(=O)CCC)C1 1078222535 GGEKBCULPQIFKP-RBSFLKMASA-N 321.421 -0.038 30 20 DBED C[C@H](C#N)C(=O)N1CCCO[C@H](CNCc2ncnn2C)C1 1078357690 ACVITFSSXQXBMW-VXGBXAGGSA-N 306.370 -0.318 30 20 DBED C[C@H](C#N)C(=O)NC1(CO)CCN(C(=O)c2cnn(C)n2)CC1 1080980123 KWQCLKVFVDBMPF-SNVBAGLBSA-N 320.353 -0.942 30 20 DBED C#CCCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2cnccn2)C1 1081205088 OTCVIEADQNMXAK-TZMCWYRMSA-N 316.361 -0.171 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)c2ccnn2C)C[C@H]1O 1081333499 UJYZYZGYAXPRLR-WCQYABFASA-N 306.366 -0.065 30 20 DBED C=CCC(C)(C)C(=O)N1C[C@H](O)[C@H](CNC(=O)CC(N)=O)C1 1081372014 VYRQTGPSMMPWQV-MNOVXSKESA-N 311.382 -0.600 30 20 DBED C#CCCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2nc[nH]n2)C1 1081652615 DERQVBLKPOSMOR-GHMZBOCLSA-N 305.338 -0.843 30 20 DBED N#Cc1c[nH]c(C(=O)N2CCCC[C@H]2CNC(=O)CC(N)=O)c1 1081988400 FGIRCGSKGFLBJU-NSHDSACASA-N 317.349 -0.127 30 20 DBED C#CCN1C[C@@H](NC(=O)c2cn(CC3CC3)nn2)[C@H](OC)C1 1082278882 DFOORNKEFMJDDD-TZMCWYRMSA-N 303.366 -0.250 30 20 DBED C=CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CC[C@@H]1NC(=O)NC1=O 1083269387 AWYPFCZTHNROHU-SDDRHHMPSA-N 322.365 -0.928 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)Cn2cccc(C)c2=O)C1 1083458639 YPMBJVWCIBBQDY-KGLIPLIRSA-N 303.362 -0.659 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)c2ccnc3nc(C)nn23)C1 1083948360 YZDMQAJCFZUNCS-YPMHNXCESA-N 316.365 -0.216 30 20 DBED C[C@@H](C[C@H](C)NC(=O)Cn1ncnn1)N=c1cc[nH]c(C#N)n1 1089401804 ZKGLDFSPAYPPEG-UWVGGRQHSA-N 315.341 -0.848 30 20 DBED N#Cc1ccc(N2CCCO[C@@H](CNC(=O)CC(N)=O)C2)nc1 1089532506 QWWWZBRWPAHWDG-LBPRGKRZSA-N 317.349 -0.460 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2ccc3nnnn3c2)[C@@H](O)C1 1090431360 WSYUWKHYINJMSE-STQMWFEESA-N 314.349 -0.687 30 20 DBED Cc1c[nH]c(CC(N)=O)c1C(=O)N[C@@H]1CCN(CC#N)C[C@H]1O 1090582537 CJMDWWWDHOCWAY-ZYHUDNBSSA-N 319.365 -0.961 30 20 DBED COCc1nc(CC(=O)N[C@H]2CCN(CC#N)C[C@@H]2O)cs1 1090709971 RNTUEMKEQUUWGH-RYUDHWBXSA-N 324.406 -0.093 30 20 DBED C=CCN1CC[C@H](NC(=O)Cn2nc(C)ccc2=O)[C@H](O)C1 1090749990 YRZXGEPBCKYJSL-QWHCGFSZSA-N 306.366 -0.711 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)Cn2ccccc2=O)[C@H](O)C1 1090797962 IZAMHGLZBJCJFX-ZIAGYGMSSA-N 305.378 -0.024 30 20 DBED Cn1ncc(C(=O)N[C@H]2CCN(CC#N)C[C@H]2O)c1C1CC1 1090851627 GPYFWLPTHSHFAH-QWHCGFSZSA-N 303.366 -0.014 30 20 DBED CCCOCC(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1091070701 KLOCNMZHIFWQHD-NEPJUHHUSA-N 305.338 -0.559 30 20 DBED CCn1cc(CC(=O)NCCNc2cncc(C#N)n2)nn1 1094281551 KDPYBMHFZMLMGB-UHFFFAOYSA-N 300.326 -0.270 30 20 DBED C=CCN1CC(n2cc(CNC(=O)[C@H]3CCNC(=O)C3)nn2)C1 1094284041 UGNJFNXPSLOVFQ-NSHDSACASA-N 318.381 -0.537 30 20 DBED CC#CCN1CC(n2cc(CNC(=O)c3cncnc3)nn2)C1 1094287509 JGQOHTMPXAHRBH-UHFFFAOYSA-N 311.349 -0.122 30 20 DBED Cc1cc(C#N)nc(NCCCNC(=O)[C@H]2CN(C)CCO2)n1 1094349102 GDHFKNFQQWOGEA-CYBMUJFWSA-N 318.381 -0.095 30 20 DBED N#CCN1CC[C@@]2(CNC(=O)C3CS(=O)(=O)C3)CCC[C@@H]12 1094423889 CGDUPGGASPFQDB-TZMCWYRMSA-N 311.407 -0.085 30 20 DBED N#CCN1CCN(C(=O)C2CC=CC2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094617060 GWKIQJFGPZYEBU-QWHCGFSZSA-N 309.391 -0.214 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)[C@@H]3CCCOC3)CC2=O)C1 1094711055 AFJXSLITUCSORZ-OLZOCXBDSA-N 305.378 -0.553 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)Cc3cnoc3)CC2=O)C1 1094777841 CTFKVRLDMSLTKT-LBPRGKRZSA-N 304.350 -0.196 30 20 DBED C#CCCN1CC(N2C[C@H](NC(=O)c3nonc3C)CC2=O)C1 1094820054 DAJQBTGYGCZERO-LLVKDONJSA-N 317.349 -0.584 30 20 DBED CN(CCCNC(=O)c1ncn(C)n1)c1ccc(C#N)nn1 1095537359 KINITLSHDJHTRC-UHFFFAOYSA-N 300.326 -0.267 30 20 DBED CC(=O)N[C@H](C)C(=O)N1CC[C@H](Nc2cnc(C#N)cn2)C1 1096913286 CMHSLSAQLQGRDT-KOLCDFICSA-N 302.338 -0.114 30 20 DBED CC(=O)N(C)CC(=O)N1CC[C@H](Nc2ccc(C#N)nn2)C1 1096918166 MFCHRFOQYROMED-LBPRGKRZSA-N 302.338 -0.161 30 20 DBED CC(=O)NCC(=O)NC[C@H]1CCCCN1c1cnc(C#N)cn1 1097386128 VRUVIXLWRABFJQ-CYBMUJFWSA-N 316.365 -0.041 30 20 DBED C[C@@H](C(=O)NC[C@@H](C)Nc1cnc(C#N)cn1)N1CCOCC1 1097926280 ZZLKVOJTARGIRB-NEPJUHHUSA-N 318.381 -0.014 30 20 DBED N#Cc1nc(=N[C@H]2CCC[C@@H](NC(=O)CNC(N)=O)C2)cc[nH]1 1098590485 TVNNVFXJPKWKAB-VHSXEESVSA-N 317.353 -0.722 30 20 DBED COC[C@@H](OC)C(=O)N1CC[C@H](n2cc(CNCC#N)nn2)C1 1098721799 KSYHVADYLIMRLN-QWHCGFSZSA-N 322.369 -0.674 30 20 DBED C=CCN1C[C@@H](NC(=O)CNC(N)=O)CC2(CCOCC2)C1 1099564238 UFWBHAYIDIJCMO-LBPRGKRZSA-N 310.398 -0.172 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)[C@@H]2C[C@@H]3C[C@@H]3C2)[C@H](O)C1 1099952502 URUVFTMMESPLAV-GZBLMMOJSA-N 319.405 -0.667 30 20 DBED CN(CCNC(=O)C[C@@H]1COC(=O)C1)c1nccnc1C#N 1100012481 WTEADPOROOVROQ-JTQLQIEISA-N 303.322 -0.146 30 20 DBED N#Cc1nccnc1N1CCC[C@@H]1CNC(=O)Cn1cnnn1 1100776937 VKAROQSJOWQJRP-SNVBAGLBSA-N 313.325 -0.880 30 20 DBED C=CCCOCC(=O)NCC1CC(NCC(=O)NC(N)=O)C1 1101055336 UOQUUNMZOHJORT-UHFFFAOYSA-N 312.370 -0.742 30 20 DBED CCNC(=O)CC(=O)NCCN(c1cnc(C#N)cn1)C1CC1 1101317589 HMSMJKXFUBJIQK-UHFFFAOYSA-N 316.365 -0.041 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)CC(=O)NCC)c3nccn32)C1 1101624250 QAUOEOYNFRTHPS-GFCCVEGCSA-N 315.377 -0.386 30 20 DBED CCC(=O)N[C@H](C)C(=O)N(C)[C@H](C)CN=c1cc[nH]c(C#N)n1 1104852778 KILWSYGNNYPPEX-GHMZBOCLSA-N 318.381 -0.056 30 20 DBED C#CCNCc1cn(C2CN(C(=O)c3nn(C)cc3C)C2)nn1 1105235459 GFBSJNUVRGDSHV-UHFFFAOYSA-N 313.365 -0.260 30 20 DBED C#CCNCc1cn(C2CN(C(=O)Cc3[nH]cnc3C)C2)nn1 1105366257 FCVQAUGFULWCAT-UHFFFAOYSA-N 313.365 -0.342 30 20 DBED CCNC(=O)CC(=O)NC[C@H](O)CNc1nc(C)cc(C#N)n1 1105795147 UUMVLAQXMPRWDR-NSHDSACASA-N 320.353 -0.928 30 20 DBED Cc1[nH]nc(C(=O)NC[C@@H](O)CNc2ccc(C#N)nn2)c1O 1105819897 NJGQUYNCJGGUMG-VIFPVBQESA-N 317.309 -0.712 30 20 DBED COCC[C@@H](C)C(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1 1105860102 PHDLYUGVHZVLNL-GHMZBOCLSA-N 307.354 -0.668 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)C(=O)NCC2CC2)cn1 1105953975 LXAKGIREXPYUMH-CYBMUJFWSA-N 317.349 -0.632 30 20 DBED C[C@@H](CCNc1cnc(C#N)cn1)NC(=O)[C@@H]1COC(=O)N1 1106314013 ULFGJGDTTDQCJS-WPRPVWTQSA-N 304.310 -0.237 30 20 DBED C[C@@H]1CN(C(=O)[C@@H]2CCN(C)S2(=O)=O)C[C@H]1CNCC#N 1106751309 DMYDOQSPEMPPCM-UTUOFQBUSA-N 314.411 -0.772 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)Cc2ncc[nH]2)C[C@H]1C 1106799321 HIBNFVOWGRVFRY-CHWSQXEVSA-N 317.393 -0.614 30 20 DBED N#Cc1nc(=NC/C=C\CNC(=O)[C@@H]2CCC(=O)NC2)cc[nH]1 1107593385 WMBOWQWQNFYAEF-RFMOXSJOSA-N 314.349 -0.619 30 20 DBED C[C@]1(CNC(=O)C(F)F)CN(CC(=O)NCC#N)CCO1 1107671531 PLWWBBGMQDHJQJ-LBPRGKRZSA-N 304.297 -0.902 30 20 DBED CNC(=O)NCCC(=O)N[C@H](C)CNc1nccnc1C#N 1107733877 WOZNDWFXCZCORG-SECBINFHSA-N 305.342 -0.416 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)COC[C@H]1CCOC1 1107933821 ZKDMMCRZMVIPJE-NEPJUHHUSA-N 319.365 -0.260 30 20 DBED C=C(C)CN1CCO[C@](C)(CNC(=O)[C@@H]2CN(C)C(=O)N2)C1 1108120361 YTDCXVBLBAOIJP-SWLSCSKDSA-N 310.398 -0.207 30 20 DBED C[C@H](CN(C)c1cnc(C#N)cn1)NC(=O)CS(C)(=O)=O 1108837057 KRZJYGQIPLLTIH-SECBINFHSA-N 311.367 -0.666 30 20 DBED C[C@H](CN(C)c1ccc(C#N)nn1)NC(=O)C[C@H]1CCNC1=O 1109114046 GWLSHFRVIVEBTG-GHMZBOCLSA-N 316.365 -0.185 30 20 DBED N#Cc1cncc(NC[C@H](NC(=O)Cn2ncnn2)C2CC2)n1 1109916724 AFERLDIHJHETJD-NSHDSACASA-N 313.325 -0.658 30 20 DBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C1CCOCC1 1110228298 HEDULFXCAMVCFB-MCIONIFRSA-N 320.393 -0.226 30 20 DBED CC[C@@H](OC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1110368899 QPCFVDAPXCNJID-FVCCEPFGSA-N 308.382 -0.227 30 20 DBED COC[C@H](C)C(=O)NC[C@@H]1COCCN1c1cnc(C#N)cn1 1111665652 MHTVQSBKHCGDOI-WCQYABFASA-N 319.365 -0.048 30 20 DBED C[C@@H]1CN(c2nccnc2C#N)CC[C@H]1NC(=O)CNC(N)=O 1112394285 ZCYVUCKPFFSZBP-NXEZZACHSA-N 317.353 -0.652 30 20 DBED CCc1ocnc1C(=O)N1CCN(CC(=O)NCC#N)CC1 1112734905 PJFUEDYHMPXWGD-UHFFFAOYSA-N 305.338 -0.365 30 20 DBED C[C@H](NC(=O)CN1CCOCC1)[C@@H](C)Nc1cnc(C#N)cn1 1112971418 QWBZYMMGTIPVDG-NEPJUHHUSA-N 318.381 -0.014 30 20 DBED C[C@H](NC(=O)Cn1cncn1)[C@H](C)Nc1ccc(C#N)nn1 1113031465 PYMQEYPNJHQSFZ-UWVGGRQHSA-N 300.326 -0.055 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)Cc2ncc[nH]2)CC1 1113455354 CFRPPQVGYNIKKK-LBPRGKRZSA-N 305.382 -0.213 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)COC)[C@H]2C1 1113759087 YLFPDZRAMQQQHY-MEWQQHAOSA-N 324.381 -0.921 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)COCC3CC3)[C@H]2C1 1113926579 CXPFTEJIJCDOSQ-VIKVFOODSA-N 307.394 -0.238 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CN(c2ccc(C#N)nn2)CC[C@@H]1C 1113994614 PTQLMWICVRGREL-GXFFZTMASA-N 316.365 -0.185 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)CC3OCCCO3)[C@@H]2C1 1114174612 XDSPLENJZXFWLT-CHWSQXEVSA-N 308.378 -0.164 30 20 DBED CCc1[nH]ccc1C(=O)NC1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]12 1114215110 QAVJXAAGLRBDDF-VXGBXAGGSA-N 315.377 -0.123 30 20 DBED C=CCCCN1C[C@@H]2C(NC(=O)CNS(=O)(=O)CC)[C@H]2C1 1114363499 DYBJGOIXAKLWPU-RYUDHWBXSA-N 315.439 -0.062 30 20 DBED C=CCOCCN1C[C@H]2C(NC(=O)[C@H]3CCN(C)C3=O)[C@@H]2C1 1114714695 XEGSXCRLSXMFDJ-JHJVBQTASA-N 307.394 -0.286 30 20 DBED CCNC(=O)CCCC(=O)NC1[C@@H]2CN(CC#CCOC)C[C@@H]12 1115138571 WJLPGRISJPGKFI-ZIAGYGMSSA-N 321.421 -0.011 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)CCCN(C)C(C)=O)[C@@H]2C1 1115181189 YATKLKZOCCLOSJ-HUUCEWRRSA-N 321.421 -0.059 30 20 DBED N#CCc1ccc(S(=O)(=O)NCCN2C(=O)CNC2=O)cc1 1116190184 KKLJWQKTYYNHOM-UHFFFAOYSA-N 322.346 -0.417 30 20 DBED C=CC[C@@H]1NC(=O)N([C@@H]2CCCN(S(C)(=O)=O)C2)C1=O 1119697522 QBRQEBZMDIMUMO-ZJUUUORDSA-N 301.368 -0.093 30 20 DBED C[C@H](CN(C)C(=O)C1CS(=O)(=O)C1)Nc1cnc(C#N)cn1 1120123735 NYBRJURIKUHVPJ-SECBINFHSA-N 323.378 -0.348 30 20 DBED Cc1cc(CC(=O)NC[C@@H](CO)Nc2nccnc2C#N)no1 1121228799 OLLYWYBSEWQESL-NSHDSACASA-N 316.321 -0.224 30 20 DBED Cc1nc(N[C@@H](CO)CNC(=O)Cc2nc[nH]n2)ccc1C#N 1121995658 YRNNHSDVOIWCEG-LLVKDONJSA-N 315.337 -0.489 30 20 DBED Cn1ncnc1COCC(=O)NC1CC2(CC(NCC#N)C2)C1 1122000660 HBJKVILIIGYANL-UHFFFAOYSA-N 318.381 -0.128 30 20 DBED COCC1(C(=O)NC[C@H](CO)Nc2cncc(C#N)n2)CC1 1122246169 LQTOBJBDOLNFCD-LLVKDONJSA-N 305.338 -0.336 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)[C@@H]2[C@H]3COC[C@H]32)cn1 1122371574 CTFAXNXFXKYDPV-MQYQWHSLSA-N 302.334 -0.265 30 20 DBED C#CCO[C@H](C)C(=O)NCCNCC(=O)Nc1cc(C)no1 1127039203 FWRWNZWXIUVWTB-LLVKDONJSA-N 308.338 -0.334 30 20 DBED CC#CCN[C@@H]1CN(C(=O)c2cncnc2)C[C@@H]1n1ccnn1 1129762939 UTWMAJNCVBHJFE-KGLIPLIRSA-N 311.349 -0.253 30 20 DBED C#CCN[C@@H]1CN(C(=O)CCOCC#C)C[C@H]1c1cn(C)cn1 1130587386 LYQOBRZROTYIRD-GOEBONIOSA-N 314.389 -0.023 30 20 DBED C#CCOCCC(=O)N1C[C@@H](NCCO)[C@H](c2cn(C)cn2)C1 1130593143 RUQWWWVBOPPOBX-DZGCQCFKSA-N 320.393 -0.664 30 20 DBED N#CCN[C@@H]1CCO[C@H]1C1CCN(C(=O)CNC(N)=O)CC1 1131421462 DCVYTAFFDFLUES-YPMHNXCESA-N 309.370 -0.836 30 20 DBED C#CCN1CC[C@@]2(C1)CN(C(=O)CC(=O)N(C)C)C[C@H](C)O2 1131691827 AKSIRMBPOWGHPB-XJKSGUPXSA-N 307.394 -0.210 30 20 DBED COCC#CCNCCNC(=O)c1cn(C)nc1[C@H]1CCOC1 1131913186 KDRBGSLBBAVAIQ-ZDUSSCGKSA-N 320.393 -0.107 30 20 DBED CC#CCN1C[C@H](NC(=O)CNS(=O)(=O)NC)CC[C@H]1C 1132199732 MEMGOIFWGXXFRZ-VXGBXAGGSA-N 316.427 -0.967 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)CCOCC#C 1134351528 HHYZOYBQLSZZRG-KGLIPLIRSA-N 307.394 -0.351 30 20 DBED COCC#CCN1CCC2(C1)CN(C(=O)c1cnn(C)n1)C2 1148429852 DTKBXEFECNKWSP-UHFFFAOYSA-N 303.366 -0.387 30 20 DBED COCCC1(NC(=O)c2ncn(C)n2)CCN(CC#N)CC1 1151099891 DXPPRDWZMMNXGW-UHFFFAOYSA-N 306.370 -0.060 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)c1cncc(C(N)=O)c1 1151299875 IBPUFYLTHCAUDE-SNVBAGLBSA-N 319.365 -0.809 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)[C@H](C)NC(C)=O)C1=O 1154373229 OTQAGRPIAJYHDU-WCQYABFASA-N 310.398 -0.606 30 20 DBED N#Cc1ccnc(C(=O)NCCc2nnc3c(=O)[nH]ccn23)c1 1155113128 UKKPTKJHLWESQX-UHFFFAOYSA-N 309.289 -0.343 30 20 DBED COCC#CCN(C)C[C@H]1CCCCN1C(=O)Cn1cnnn1 1157510630 WZQUISDIWBKZFD-CQSZACIVSA-N 320.397 -0.364 30 20 DBED C=CCNC(=O)CNCCCNC(=O)c1ccc2nn[nH]c2n1 1159428897 PXZZBUYWZLGUKV-UHFFFAOYSA-N 317.353 -0.635 30 20 DBED C#CCNCC1(CCNC(=O)CC[C@H]2NC(=O)NC2=O)CC1 1168032365 HDWIHOZUUPTQSZ-LLVKDONJSA-N 306.366 -0.516 30 20 DBED CC#CCN1CCO[C@H]2CCN(C(=O)CNC(=O)NC)C[C@H]21 1177026214 WVUOVZRIKZQMLZ-OLZOCXBDSA-N 308.382 -0.760 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)C(=O)NCC3CC3)C[C@@H]21 1177125878 UHVWIJMCPMKKIK-UONOGXRCSA-N 305.378 -0.553 30 20 DBED C[C@H](NCCCCCCNC(=O)[C@H](C)C#N)C(=O)NC(N)=O 1178058480 FWLGKDNWWVERAV-MNOVXSKESA-N 311.386 -0.004 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)[C@@]23COC[C@@H]2C3)[C@H]1C 1178731603 ZKFVGSKLUVEDAY-QCQGSNGOSA-N 307.394 -0.096 30 20 DBED CC#CCN[C@H]1CCN(C(=O)CN2C(=O)NC(=O)C2(C)C)[C@H]1C 1179852314 JIEUPVLSENFTDT-RYUDHWBXSA-N 320.393 -0.081 30 20 DBED C[C@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)CN1CCCC1 1180135807 KGERVDGVVYEBQF-STQMWFEESA-N 307.398 -0.699 30 20 DBED C[C@@H]1CN(C(=O)CCCS(N)(=O)=O)CC[C@H]1CNCC#N 1185041680 VACJDMCQMSKBLI-NEPJUHHUSA-N 316.427 -0.347 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)[C@@H](C)OCC)[C@@H]2C1 1186965608 KBHLDTVBRLFZBC-HZSPNIEDSA-N 307.394 -0.307 30 20 DBED CCOCCC(=O)N1CC[C@H]2CN(CC(=O)NCC#N)C[C@H]21 1187246006 DCHWPQYUQUIOFX-QWHCGFSZSA-N 308.382 -0.415 30 20 DBED Cc1cn(C)nc1C(=O)N1CC[C@H](N(C)CC(=O)NCC#N)C1 1190067434 ONTACTAMWVYHIM-LBPRGKRZSA-N 318.381 -0.485 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@H](C)NC(=O)C2CCCC2)C1 1193167450 UXPWUAGJFKDUOB-NWANDNLSSA-N 321.421 -0.134 30 20 DBED CC#CCN(C)[C@H]1CCN(C(=O)CS(=O)(=O)N(C)C)C1 1193787445 RLYNLPFIJDDJFV-LBPRGKRZSA-N 301.412 -0.566 30 20 DBED C#CCOCCC(=O)N1CCCN([C@@H]2CCC(=O)NC2=O)CC1 1195824010 GPHUXLUXIRDQAH-CYBMUJFWSA-N 321.377 -0.634 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC(NCc2nc(O)n[nH]2)CC1 1200532061 MHLFPDQKPADXTL-JTQLQIEISA-N 307.354 -0.371 30 20 DBED COC[C@@]1(C(=O)N2CCCO[C@H](CNCC#N)C2)CCOC1 1201089701 QPGUBBUOPJNIKS-HIFRSBDPSA-N 311.382 -0.230 30 20 DBED N#CCNC[C@@H]1CN(C(=O)[C@@H]2CCCS2(=O)=O)CCCO1 1202109280 ODJWCGNXIFSCFN-NEPJUHHUSA-N 315.395 -0.706 30 20 DBED C=CCNC[C@@H]1CN(C(=O)C[C@H]2CC(=O)NC2=O)CCCO1 1202251699 UEYDSFMDXGOYPU-VXGBXAGGSA-N 309.366 -0.568 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)[C@H]2CCN(C)C2)CC1 1203693239 UUPFWAWPCUWCHJ-ZDUSSCGKSA-N 308.426 -0.179 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)c2csnn2)[C@H](C)C1 1208199686 NOBUGCVMBUBPTI-GMTAPVOTSA-N 321.406 -0.274 30 20 DBED C=C(C)CCN[C@H]1CCCN(C(=O)CNC(=O)CNC(C)=O)C1 1208439005 LUGMDIZUNVRLGM-AWEZNQCLSA-N 324.425 -0.215 30 20 DBED C#CCCN[C@@H]1CCCN(C(=O)[C@@H]2CCN(C)S2(=O)=O)C1 1210060775 IFVUTNPSYWKBPM-OLZOCXBDSA-N 313.423 -0.376 30 20 DBED CN1CC[C@@H](CC(=O)N2CCC[C@@H](NCC(=O)NCC#N)C2)C1 1210674269 QKWYEYCEKFMHIH-UONOGXRCSA-N 321.425 -0.451 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)Cn2ccnc2)[C@H](C)C1 1211451558 AJYSSRBWBNSVDQ-CHWSQXEVSA-N 305.382 -0.378 30 20 DBED C=CCOCCN1C[C@@H](NC(=O)[C@H]2COCCO2)[C@H](OC)C1 1211891784 SQUPMKYXJRVTAG-MGPQQGTHSA-N 314.382 -0.580 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2ncnn2C)C[C@H]1OC 1212257479 CXZUVFFNCSQFKP-YNEHKIRRSA-N 321.381 -0.831 30 20 DBED C#CCN1C[C@@H](NC(=O)C2(S(C)(=O)=O)CCC2)[C@H](OC)C1 1213652515 ZLFULOKOGSVPSA-VXGBXAGGSA-N 314.407 -0.598 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@H](C)CS(C)(=O)=O 1213934001 HMDIJHLLSLBKSP-GMTAPVOTSA-N 303.384 -0.994 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](NCc2nnc(C)o2)[C@H](C)C1 1214472561 SVFZVTCPGXMLOA-ZYHUDNBSSA-N 319.365 -0.546 30 20 DBED C=C(C)CCN[C@@H]1CN(C(=O)CS(=O)(=O)NC)C[C@H]1C 1216773044 WRADAQMSIIYKRI-VXGBXAGGSA-N 303.428 -0.062 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(CCCC2CCC2)C[C@@H]1O 1219492182 AFSQPLRRMVPWJP-CABCVRRESA-N 321.421 -0.133 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)/C=C\c2ccc[nH]2)C1 1219516962 LNEVNEWSCPRUMU-QJTIAFMVSA-N 318.377 -0.509 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)[C@H]2C[C@@H]2C(F)F)C1 1219558142 ODVQQMSYKVQXBU-YFKTTZPYSA-N 302.321 -0.301 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)CCCC(=O)NC)CC1 1227016738 AGLWINFZHJDMEV-UHFFFAOYSA-N 322.409 -0.767 30 20 DBED C=CCO[C@@H](C)C(=O)NC1CCN(Cc2nc(=O)n(C)[nH]2)CC1 1230406845 DOBRJAQVXCXDPB-NSHDSACASA-N 323.397 -0.220 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)c1cc(CC)[nH]n1 1230806741 RCDFAMOQMGNJAU-ZDUSSCGKSA-N 317.393 -0.132 30 20 DBED CNC(=O)C1CCC(NC(=O)C(=O)N2CC[C@](F)(C#N)C2)CC1 1257464711 NRVNOQPLSBFVJB-NWHVRFAMSA-N 324.356 -0.128 30 20 DBED C=CC[C@H](CO)CNC(=O)C(=O)Nc1cccc(C(N)=O)n1 1320056027 XEDWFOWVXBHGML-VIFPVBQESA-N 306.322 -0.580 30 20 DBED C#CCNC(=O)C1CCN(C(=O)CCN2C(=O)CCC2=O)CC1 1321445601 GOAFXEKVMFNOJO-UHFFFAOYSA-N 319.361 -0.487 30 20 DBED CC(=O)Nc1ccc(CNC(=O)NCC(=O)NCC#N)cn1 1322605533 PFIBKEYPEWBNCG-UHFFFAOYSA-N 304.310 -0.521 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N[C@H]1CCN(C(=O)OCC)C1 1323529444 ZKLXOHORZXBHOF-QWRGUYRKSA-N 313.354 -0.349 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CCCN(C(=O)OC)CC1 1325474789 NLPDYKHLMKEPOC-LLVKDONJSA-N 313.354 -0.396 30 20 DBED CC(C)(CC#N)CNC(=O)C(=O)NCCCCS(C)(=O)=O 1325939391 FSPQYNIAVPYWPP-UHFFFAOYSA-N 317.411 -0.017 30 20 DBED CN(CCNS(C)(=O)=O)C(=O)C(=O)Nc1cccc(C#N)c1 1328265828 MHKTWJSIBNHPDH-UHFFFAOYSA-N 324.362 -0.496 30 20 DBED C=CCn1cc(CNC(=O)C(=O)NCCc2ccncc2)nn1 1329197976 DKKYWHBLKOHKAU-UHFFFAOYSA-N 314.349 -0.166 30 20 DBED C=CCC1(O)CCN(C(=O)C(=O)N2C[C@@H]3CCNC[C@@H]3C2)CC1 1332891806 FOJMAGZAJXEPOD-UONOGXRCSA-N 321.421 -0.016 30 20 DBED C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCC[C@H](C#N)C1 1335205924 YUJLJUQBPGZWEO-QJPTWQEYSA-N 308.382 -0.022 30 20 DBED CCCC[C@H](CN)NC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1336962661 ZAIIHUFIAKLBFL-TZMCWYRMSA-N 321.425 -0.181 30 20 DBED C=CCN(C(=O)C(=O)N(C)Cc1nncn1C)[C@@H](C)COC 1350278054 DXVBTIQUVYDORZ-NSHDSACASA-N 309.370 -0.177 30 20 DBED C#CCN(CC)c1nnnn1C1CCN(CC(=O)NC)CC1 1355724345 JVPACZVGQFYNOS-UHFFFAOYSA-N 305.386 -0.485 30 20 DBED C#CCn1ccc(CN(CC)c2nnnn2CC(=O)NCC)n1 1355779654 XRRHPIIQUWICPN-UHFFFAOYSA-N 316.369 -0.335 30 20 DBED C[C@H](CNC(=O)CCn1cc(C#N)c(O)nc1=O)N(C)C1CC1 1362208667 WGCQOGVTICBZCF-SNVBAGLBSA-N 319.365 -0.190 30 20 DBED C=C(Br)CN[C@H](C)CNC(=O)Cn1cnnn1 1366248891 FYJCHEPZOSIEHH-MRVPVSSYSA-N 303.164 -0.324 30 20 DBED COc1cc(OC)nc(C(=O)NC[C@H](C)NC(=O)[C@H](C)C#N)n1 1372958102 KUTZWODWUVQVPT-BDAKNGLRSA-N 321.337 -0.112 30 20 DBED C[C@@H](C#N)C(=O)NC1CN(C(=O)[C@H]2CCc3nncn3C2)C1 1374750325 MZACJCMGRXMKRC-UWVGGRQHSA-N 302.338 -0.673 30 20 DBED COCCN(CCNC(=O)[C@H](C)C#N)C(=O)C[C@H]1CCC(=O)N1 1405769464 LWKFITFSWHZGIK-VXGBXAGGSA-N 324.381 -0.594 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CCCN(C(=O)CCn2cnnn2)C1 1409021709 YUPYQWQLMOQYLS-QWRGUYRKSA-N 305.342 -0.670 30 20 DBED N#C[C@H]1CCCN(C(=O)c2nc(N)nc(N3CCOCC3)n2)C1 1412577698 SRLLCTBIDRLVGA-SNVBAGLBSA-N 317.353 -0.334 30 20 DBED C=C(Br)CNC[C@@H](O)CNC(=O)c1cc[nH]n1 1422289142 KQDUEJUAWVHGEI-MRVPVSSYSA-N 303.160 -0.001 30 20 DBED C[C@@H](C#N)C(=O)N1CC([C@H](C)NC(=O)CCn2cncn2)C1 1426994619 CNRSDTFPXTXTSG-QWRGUYRKSA-N 304.354 -0.209 30 20 DBED COC(=O)NCC(=O)N[C@H]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 1430129935 CHUREFUTQPQTTO-MGCOHNPYSA-N 319.321 -0.381 30 20 DBED N#CCCN(CCN1CCOCC1)C(=O)c1cc(CO)on1 1442498077 PHCORKJCECMVKC-UHFFFAOYSA-N 308.338 -0.145 30 20 DBED CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)c1cc(C#N)cnn1 1458269089 TVWZPTFHBIOXCC-JTQLQIEISA-N 309.351 -0.912 30 20 DBED C#CCCN[C@H]1CCN(C(=O)CCCn2c(O)nnc2O)C1 1480616135 DJTWOBGCBVMJAO-NSHDSACASA-N 307.354 -0.317 30 20 DBED CCNC(=O)NC(=O)[C@H](C)N[C@H]1C[C@H](CNC(=O)[C@H](C)C#N)C1 1488815776 BEQFZFNBHVCYDC-WRWGMCAJSA-N 323.397 -0.135 30 20 DBED CCN(C(=O)[C@H](C)C#N)[C@H](C)CNC(=O)C1(NC(N)=O)CC1 1488912943 AAJMEWKLZPNZAJ-NXEZZACHSA-N 309.370 -0.300 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H](O)CNC(=O)c2cncs2)c1 1501440110 BTSYTSMZAOBDBH-VIFPVBQESA-N 319.346 -0.136 30 20 DBED C[C@H](CNc1ccc(-c2nn[nH]n2)nn1)NC(=O)[C@H](C)C#N 1573585551 SFZTZCATVYADCZ-HTQZYQBOSA-N 301.314 -0.267 30 20 DBED CC(C)C#CC(=O)N[C@@H](CO)CNC(=O)CCCc1cnn[nH]1 1575318918 SWIIBLIGKZTKGV-CYBMUJFWSA-N 321.381 -0.620 30 20 DBED N#C[C@H]1CNCC12CC(C(=O)N1CC(N3CC[C@@H](O)C3)C1)C2 1580041834 IMTRNEOAXCUXFT-QRFPHZIJSA-N 304.394 -0.597 30 20 DBED N#C[C@@]12CN(C(=O)c3ccnc(N)c3)C[C@H]1CS(=O)(=O)C2 1580056405 RJBHXCAWLMQCTA-GWCFXTLKSA-N 306.347 -0.326 30 20 DBED N[C@@H]1C[C@H](C(=O)NCCN/C(O)=C2\N=CC=CC2=O)[C@H]2C[C@H]21 1580401476 FQNTZYZUJDTBMH-LNKZQMDMSA-N 304.350 -0.388 30 20 DBED C=C(CCC(=O)O)C(=O)N1CCC(S(=O)(=O)NC)CC1 1588613820 FFFUVBKCKPGJPB-UHFFFAOYSA-N 304.368 -0.052 30 20 DBED CN(CC(C)(C)C#N)c1c(-c2nn[nH]n2)c(=O)n(C)c(=O)n1C 1591042449 IOBOMMZYUIQIQR-UHFFFAOYSA-N 318.341 -0.750 30 20 DBED C#C[C@H](CC)NC(=O)CCn1cc(-c2nn[nH]n2)c(O)nc1=O 1602690074 QUALTKGHGIUTJY-MRVPVSSYSA-N 317.309 -0.953 30 20 DBED C=CCOC[C@@H](NC(=O)C1(C(=O)O)CCOCC1)C(=O)OC 1602723006 HJGFIUXGNUDKGW-SNVBAGLBSA-N 315.322 -0.272 30 20 DBED C[C@@H](C(=O)N[C@@H]1CC[C@H](C#N)C1)n1cnc(-c2nn[nH]n2)n1 1603022967 XJUKEUPMEGJVDZ-XHNCKOQMSA-N 301.314 -0.172 30 20 DBED COC(=O)C1(C#N)CCN(c2cc(-c3nn[nH]n3)ncn2)CC1 1604916605 PDIFHFSRIVJPRH-UHFFFAOYSA-N 314.309 -0.060 30 20 DBED COCc1nc(C(=O)N(CCC#N)CCN2CCOCC2)no1 1645692096 XDHNSXYJYAGDKZ-UHFFFAOYSA-N 323.353 -0.096 30 20 DBED N#CCNC[C@H]1CCCN1C(=O)[C@@H]1CCc2nnc(O)n2C1 1699751408 BTCURYVCPBWHCO-GHMZBOCLSA-N 304.354 -0.350 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)c2cc(C(N)=O)c[nH]2)C1 1713087908 RXGPQUXTSNLGRL-NSHDSACASA-N 319.365 -0.780 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@H](NC(=O)C(C)(C)N2CCCC2)C1 1752651598 FHDSYSNFMCPMJI-HDJSIYSDSA-N 320.437 -0.153 30 20 DBED COCC#CCN[C@H]1C[C@@H](NC(=O)[C@@H](C)N2C(=O)CCC2=O)C1 1752733615 UWOJINJPFMBHDG-UPJWGTAASA-N 321.377 -0.590 30 20 DBED N#CCNC(=O)CNC[C@H]1CCN(C(=O)[C@H]2C[C@@H]2C(F)F)C1 1752936872 XAQSMGMXYMJMTR-VWYCJHECSA-N 314.336 -0.035 30 20 DBED C#CCNC(=O)[C@H](C)NCCN(C)C(=O)[C@@H](C)Cc1cnc[nH]1 1753239989 FSHVREZISWQFIN-STQMWFEESA-N 319.409 -0.226 30 20 DBED C#CCNC(=O)CN(C)C[C@H]1CCN(C(=O)c2n[nH]cc2C)C1 1753347811 JJUFLEGRMYDMTD-CYBMUJFWSA-N 317.393 -0.139 30 20 DBED CC(C)OCC(=O)N1CC[C@H](CN(C)CC(=O)NCC#N)C1 1753357386 WNMORFAZHVMASV-CYBMUJFWSA-N 310.398 -0.169 30 20 DBED CC[C@@H](CNC(=O)c1cccn(C)c1=O)NCC(=O)NCC#N 1753495471 IDGLVYOTNSGRGM-NSHDSACASA-N 319.365 -0.877 30 20 DBED COCC#CCNCC1(NC(=O)CCNC(N)=O)CCCC1 1753509935 IYQOTQKJIKTZMV-UHFFFAOYSA-N 310.398 -0.287 30 20 DBED C[C@@H]1CCCN(C(=O)CN(C)S(C)(=O)=O)[C@H]1CNCC#N 1753820610 ZDAVXJDPTKURGB-NEPJUHHUSA-N 316.427 -0.382 30 20 DBED C#CCNC(=O)CNCC[C@H](C)NC(=O)Cn1nc(C)cc1C 1753980704 NXLRVBSZKUJXCP-LBPRGKRZSA-N 319.409 -0.266 30 20 DBED C=CCNC(=O)[C@H](C)NCCCN(C)C(=O)[C@H]1COC(=O)N1 1754368576 LVNKHUCZMSHBFZ-WDEREUQCSA-N 312.370 -0.776 30 20 DBED C=C(C)CNC[C@H](NC(=O)[C@H](C)NS(C)(=O)=O)C1CC1 1754453024 PHGZJYCVNPDADF-JQWIXIFHSA-N 303.428 -0.015 30 20 DBED C#CCNC(=O)CN1CCC[C@H](NC(=O)[C@H](C)OCC#C)CC1 1755023479 ITBJMWWWWBBCLY-GJZGRUSLSA-N 319.405 -0.255 30 20 DBED COCC#CCN1CCC[C@@H](NC(=O)[C@@H]2CCC(=O)N2)CC1 1755031520 TZCIWCFWGYTKKJ-KGLIPLIRSA-N 307.394 -0.115 30 20 DBED CNC(=O)[C@@H](C)N(C)CCOCCNC(=O)c1ccc(C#N)[nH]1 1755540441 FXMBHMXDODXOFZ-LLVKDONJSA-N 321.381 -0.301 30 20 DBED C=CCN1CC[C@H](N[C@@H](CO)CNC(=O)c2ocnc2C)C1=O 1755626605 JJSVZJZQHDXMFZ-NEPJUHHUSA-N 322.365 -0.550 30 20 DBED C=CCNC(=O)[C@H](C)NC[C@H](O)CN(C)C(=O)c1ccnn1C 1755774997 OLNADNIISPGNCX-RYUDHWBXSA-N 323.397 -0.867 30 20 DBED Cc1nnc(O)c(C(=O)N(C)C[C@@H](O)CN(C)CC#N)c1C 1755803706 AOENCFCSONUYKN-NSHDSACASA-N 307.354 -0.313 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@@H](C)CNC(=O)CCCCNC(N)=O 1756044074 FFEXAGWGFAQKCS-QWRGUYRKSA-N 311.386 -0.052 30 20 DBED C=C1CC(C)(C(=O)N[C@@H](CO)CNC(=O)C[C@H]2CCC(=O)N2)C1 1756532327 HPQHTGCFRANXLA-VXGBXAGGSA-N 323.393 -0.395 30 20 DBED COCCN(CCNC(=O)[C@H](C)C#N)C(=O)[C@H]1CCN(C)C1=O 1756729269 NRRWMFQKNQWFED-NEPJUHHUSA-N 324.381 -0.784 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(C(=O)c2cc(C)[nH]n2)C[C@H]1O 1756991753 MSCJCUIVMNHIGG-CHWSQXEVSA-N 304.350 -0.177 30 20 DBED C=CCCCC(=O)N[C@@H]1CN(C(=O)Cc2cc[nH]n2)C[C@H]1O 1757028291 BVKAANSYRDVJBL-CHWSQXEVSA-N 306.366 -0.004 30 20 DBED C=CCCOCC(=O)N1CC[C@@H]1CN(C)C(=O)[C@@H]1CNC(=O)N1 1757302846 ZCIHDBMLQYWXSL-NEPJUHHUSA-N 324.381 -0.680 30 20 DBED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1CC(O)C1)C2 1781689009 DQKKKUQKAJFKEP-YJJGSOMYSA-N 320.389 -0.096 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN)C2 1793355690 LVRQCDYIFWJPNC-NRWUCQMLSA-N 311.382 -0.874 30 20 DBED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC(=O)NC)C2 1802017763 GHCSQJQUFQJNGB-DRXBFXEBSA-N 321.377 -0.875 30 20 DBED NCC(=O)N1CC2(CCCN2C(=O)C/N=C/c2ccco2)C1 1844313997 KONJQPNFYFXDDJ-CAOOACKPSA-N 304.350 -0.139 30 20 DBED N#CCC(=O)N1CC2(CCCN2C(=O)c2ccnnc2O)C1 1844610305 KZFPUSPFXSGYLM-UHFFFAOYSA-N 301.306 -0.087 30 20 DBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccccc2)CC1 38271024 WJIJKTKRBRLHOX-UHFFFAOYSA-N 321.402 -0.258 30 20 DBED C#CCN1CCC(C(=O)N[C@@H](CC(=O)OC)C(=O)OC)CC1 264722851 HWHXAKAWLKFMFQ-LBPRGKRZSA-N 310.350 -0.448 30 20 DBED C#CCCN1CCN(CC(=O)NC(=O)N[C@H](C)COC)CC1 271884472 ADSRAFFPKDFDCK-CYBMUJFWSA-N 310.398 -0.512 30 20 DBED CC[C@@H](CC#N)NC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 273831739 GDIAZJWCPSFWNK-YQPPGCHHSA-N 305.334 -0.043 30 20 DBED C#CCNS(=O)(=O)c1cccc(C(=O)N(C)CCC(N)=O)c1 286203888 LLCXPUWNBMGORY-UHFFFAOYSA-N 323.374 -0.455 30 20 DBED N#Cc1cncc(S(=O)(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)c1 289427573 IQBKEUMTEBHDLB-KOLCDFICSA-N 310.335 -0.736 30 20 DBED C=CCNC(=O)C(=O)N1C[C@@H](C(=O)NC)Oc2ccccc21 298923747 JMZZFANXSFZRNN-LBPRGKRZSA-N 303.318 -0.171 30 20 DBED CN1CC[C@H](/N=C(/O)N2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)C1=O 329082820 SHRGZZFHXIBCMP-WUHRBBMRSA-N 311.382 -0.007 30 20 DBED CN1CCO[C@@H](C/N=C(/O)NCc2nnc3n2CCCC3)C1 329099756 MJYCYOBKRPKFDW-NSHDSACASA-N 308.386 -0.051 30 20 DBED CCn1ncnc1C/N=C(/O)N1CCN(C(=O)COC)CC1 331060607 NQICFSGUWQZGOW-UHFFFAOYSA-N 310.358 -0.497 30 20 DBED CCC(=O)N1CC[C@H](N/C(O)=N/CCS(=O)(=O)NC)C1 331262362 MNUZTYDYMSMENW-VIFPVBQESA-N 306.388 -0.950 30 20 DBED COC[C@@H]1CN(/C(O)=N/CCNS(C)(=O)=O)C[C@H](C)O1 331264851 OXVCTVOPRRXLNI-UWVGGRQHSA-N 309.388 -0.815 30 20 DBED C[C@@H]1C[C@@H](NS(=O)(=O)N2CCO[C@H](C#N)C2)CN1C1CC1 336949029 RDTJMZTWBNNOAT-NQBHXWOUSA-N 314.411 -0.330 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)NC[C@H](O)COCC1CC1 337099977 UYPSNNPLGSUBCN-JQWIXIFHSA-N 305.400 -0.300 30 20 DBED C=CCOC[C@@H](NC(=O)[C@H](OC)c1cnn(C)c1)C(=O)OC 337185407 SQSCSTPJOOSUFW-VXGBXAGGSA-N 311.338 -0.032 30 20 DBED C[C@H](CN1CCOCC1)N(C)C(=O)C(=O)NCCCCC#N 343152637 WRBLBSMQGVWBGQ-CYBMUJFWSA-N 310.398 -0.024 30 20 DBED CCOC(=O)[C@](C)(O)CNC(=O)Nc1ccn(CCC#N)n1 360044396 DWNWSWLPTGBQFW-CYBMUJFWSA-N 309.326 0.232 30 20 DBED CNC(=O)[C@H]1CCCN(S(=O)(=O)N(C)[C@@H](C)CC#N)C1 407975934 LYLWOFIISFLGDB-QWRGUYRKSA-N 302.400 -0.077 30 20 DBED C=CCC[C@H](CO)NC(=O)CNS(=O)(=O)c1cccnc1 412400152 JQVUVRJXFSSCCM-LLVKDONJSA-N 313.379 -0.197 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)CCc2cncnc2)CC1 429915120 XYGCDOAEBGRLSA-UHFFFAOYSA-N 317.393 -0.144 30 20 DBED CN(C)S(=O)(=O)CCCS(=O)(=O)NCCCCC#N 447752391 GJBFEYBPAJMGJJ-UHFFFAOYSA-N 311.429 -0.119 30 20 DBED C#CCN(CC#CC)S(=O)(=O)N(CCOC)CCOC 490679625 UCWGVLFREAQBDN-UHFFFAOYSA-N 302.396 -0.216 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2cncc(F)c2)CC1 491460895 BJLPTYBCTHQTJN-UHFFFAOYSA-N 304.325 -0.272 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(CCN)CC2)C1=O 520245880 VLXCFAVEKABHIX-UHFFFAOYSA-N 322.365 -0.449 30 20 DBED N#CCNC(=O)CNC(=O)Nc1ncn(Cc2ccccc2)n1 562123797 BLXRKTMOAYWWOQ-UHFFFAOYSA-N 313.321 0.088 30 20 DBED C=C(C)COCCNC(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 576760000 OLVWVSCUUZXMHD-LLVKDONJSA-N 305.400 -0.088 30 20 DBED N#Cc1cc(C(=O)N2CCCC[C@H]2CNS(N)(=O)=O)c[nH]1 597739931 YTYQTRZHUUCRQZ-NSHDSACASA-N 311.367 -0.326 30 20 DBED C=C[C@@H](O)C(=O)N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 613961650 JKHIXNOPNPQQBB-VXGBXAGGSA-N 320.411 -0.568 30 20 DBED COCCN(CCC#N)C(=O)C(=O)Nc1cncnc1OC 615255824 ABZNAOCOLOEQIC-UHFFFAOYSA-N 307.310 -0.188 30 20 DBED CC#CC[C@H](CO)NC(=O)NCC(C)(C)NS(C)(=O)=O 645277240 MXHCMOFQTSMWRQ-SNVBAGLBSA-N 305.400 -0.612 30 20 DBED CC#CC[C@@H](CO)NC(=O)NCC1(CS(C)(=O)=O)CC1 645344112 JFNKAHHILDOWQQ-NSHDSACASA-N 302.396 -0.115 30 20 DBED C=C[C@H](O)C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 667671231 LIPMJVKWTZSTEV-ZDUSSCGKSA-N 318.377 -0.217 30 20 DBED C#CCOCCC(=O)N1CCC(C(=O)NCC(=O)OCC)CC1 756010979 AITAYQDPACUKDN-UHFFFAOYSA-N 324.377 -0.056 30 20 DBED C#C[C@H](NC(=O)N1CCN(C(=O)COC)CC1)[C@@H]1CCCO1 773553170 BHEXLINDDOQBAA-STQMWFEESA-N 309.366 -0.333 30 20 DBED O=C(N[C@@H]1CCN(O)C1=O)c1ccc(CN2CCOCC2)o1 820120465 OPRCWLSSTCUDJN-LLVKDONJSA-N 309.322 -0.168 30 20 DBED C=CCS(=O)(=O)NC(=O)COc1ccc(-c2nn[nH]n2)cc1 823932438 YUJAQKQMENPROI-UHFFFAOYSA-N 323.334 -0.123 30 20 DBED C#CCN1CCC(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)O)CC1 833364171 GHCIVANGBNJIDX-ZDUSSCGKSA-N 304.350 -0.133 30 20 DBED C[C@@H]1CN(C(=O)NCCNc2ccc(C#N)cn2)CC(=O)N1 837568093 RHXKKQKPLWADQW-SNVBAGLBSA-N 302.338 -0.105 30 20 DBED C#CC[C@@H](CO)NC(=O)[C@@H]1CCC[C@H]1C(=O)N[C@@H](CO)CC#C 854543428 BYSNCBVOMNEVGU-LXTVHRRPSA-N 320.389 -0.597 30 20 DBED C#C[C@H](NC(=O)C(=O)N1C[C@@H]2CCC[C@@]2(N)C1)[C@@H]1CCCO1 857102867 UMXKKKKFRVIMLY-WFGGJUAMSA-N 305.378 -0.377 30 20 DBED C#CC[C@H](CCOC)NC(=O)NCC1CN(S(C)(=O)=O)C1 858375139 JWUKCSKKZZWANC-GFCCVEGCSA-N 317.411 -0.395 30 20 DBED C#CCN(C(=O)c1nc(N)nc(N2CCOCC2)n1)C(C)C 928625592 VQTGBDUOZRODEV-UHFFFAOYSA-N 304.354 -0.226 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](N(C)C(=O)c2cn(C)c(=O)cn2)C1 939395154 COQGRHSKYGJRMH-GHMZBOCLSA-N 317.349 -0.387 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C2CN(Cc3nccn3C)C2)CC1 941345469 UFBGZJRGBRRXEA-ZDUSSCGKSA-N 316.409 -0.092 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](NC(=O)c2cnn[nH]2)[C@H](OC)C1 942661474 KVGFOLZWNLRAKX-GHMZBOCLSA-N 307.354 -0.028 30 20 DBED Cc1cnc(C(=O)NC[C@@H]2CN(C(=O)[C@H](C)C#N)CCO2)cn1 944455274 CVAOTKNEIYTIEJ-ZYHUDNBSSA-N 317.349 -0.098 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)[C@H](OC)C1 946775617 LMKZRVWMIKXMTL-WRWGMCAJSA-N 323.393 -0.338 30 20 DBED C#CCCN1CC[C@H](NC(=O)Cn2ncn(C)c2=O)C[C@@H]1C 947464984 YHSGAMKERMMOAL-STQMWFEESA-N 305.382 -0.426 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CN2CCNC(=O)C2)C[C@H]1C 947620427 NXELMQKREOWPTO-ZIAGYGMSSA-N 306.410 -0.589 30 20 DBED N#CCN1CCC2(CC1)CN(C(=O)[C@H]1CCCNC1=O)CCO2 949118075 DZMUHIADSGGQIX-ZDUSSCGKSA-N 320.393 -0.270 30 20 DBED C#CCN1CCOC2(CCN(C(=O)[C@@H]3CC[C@@H]3C(N)=O)CC2)C1 949430669 ZINRKXZEVKKXET-UONOGXRCSA-N 319.405 -0.176 30 20 DBED Cn1nnc(C(=O)N2CC[C@@H]2CNC(=O)c2ccc(C#N)[nH]2)n1 949448703 GUEFMFPPTWWJES-SECBINFHSA-N 314.309 -0.946 30 20 DBED CN1CC[C@H](C(=O)N[C@H]2CCCN(C(=O)C#CC3CC3)C2)C1=O 950761253 HIDLYHHNFCNJMY-UONOGXRCSA-N 317.389 -0.015 30 20 DBED C[C@@H](C#N)C(=O)N1CC(N(C)C(=O)c2cnc3[nH]nnc3c2)C1 954552819 RIFZTTWZTNKYSP-QMMMGPOBSA-N 313.321 -0.205 30 20 DBED Cn1nnnc1CN1C[C@H]2C(NC(=O)c3c[nH]c(C#N)c3)[C@@H]2C1 958588262 YEDPXJQLRVOQHX-GHMZBOCLSA-N 312.337 -0.730 30 20 DBED CN(C)c1ccncc1C(=O)NC[C@H]1CN(CC#N)C[C@H]1O 958597148 BNHQTITYKBTNQA-SMDDNHRTSA-N 303.366 -0.306 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NC1[C@H]2CN(CC(=O)NC)C[C@H]12 959943959 FJWKWRDHPFIOJB-VOAKCMCISA-N 307.394 -0.240 30 20 DBED CC#CCN1C[C@H]2C(NC(=O)c3ccoc3CC(N)=O)[C@@H]2C1 961594392 CBHJNUJKCBDQTK-VXGBXAGGSA-N 301.346 -0.009 30 20 DBED CCc1oncc1C(=O)N[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1O 963203854 PJLWMHNEYLVEKX-IEBDPFPHSA-N 306.322 -0.302 30 20 DBED Cn1cnc(C(=O)NC[C@H]2COCCN2C(=O)C#CC2CC2)n1 964191881 UPIBKZIBYWRUPQ-LBPRGKRZSA-N 317.349 -0.814 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@H](NC(=O)C[C@@H]2CCNC2=O)C1 965854571 WGRAUXWOFGNPBY-TUAOUCFPSA-N 323.393 -0.587 30 20 DBED C[C@H]1CN(C(=O)CC(N)=O)C[C@@H]1NC(=O)c1c[nH]c(C#N)c1 966252073 UVMNURDQHLAXCM-KWQFWETISA-N 303.322 -0.662 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)Cc2cncs2)C1 966726561 DTADCHFSFLYMLE-GDPRMGEGSA-N 308.363 -0.467 30 20 DBED CCN(C(=O)[C@H]1COC(=O)N1)C1CN(C(=O)C#CC2CC2)C1 967928098 GWDQBSBLQONJLT-GFCCVEGCSA-N 305.334 -0.433 30 20 DBED C=CCCn1cc(C(=O)N[C@H]2CN(CC(N)=O)CC[C@@H]2C)nn1 968408222 BQJZREDHGIQYLR-RYUDHWBXSA-N 320.397 -0.220 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)COC)C[C@@H]2O)cc1 969473208 LMRWLRWODPVSTK-KGLIPLIRSA-N 302.330 -0.384 30 20 DBED N#Cc1ccc(CN[C@@H]2CCN(C(=O)[C@H]3CNC(=O)N3)C2)s1 969766446 NFPGOEAYLGGXBX-BXKDBHETSA-N 319.390 -0.008 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2[C@@H]3CN(CC(=O)NC)C[C@H]23)nc1 978980813 CDTJJRYYJPXRGT-ZSOGYDGISA-N 312.373 -0.284 30 20 DBED N#CCN1CCCC2(C1)CN(C(=O)CC[C@@H]1NC(=O)NC1=O)C2 982141910 XWPNGCOMXFHGRW-NSHDSACASA-N 319.365 -0.577 30 20 DBED C#CCN[C@H]1CCN(C(=O)CN2C(=O)CC(C)(C)C2=O)[C@@H]1C 986280409 MHAVFSKMVAUFHH-NEPJUHHUSA-N 305.378 -0.016 30 20 DBED CN(C[C@@H]1CCN(C(=O)C#CC2CC2)C1)C(=O)[C@@H]1CCC(=O)N1 987994806 VTBQFOFVJOKSSO-KBPBESRZSA-N 317.389 -0.015 30 20 DBED C[C@H](C(=O)N1CC(NC(=O)c2c[nH]c(C#N)c2)C1)S(C)(=O)=O 990927215 FDXROSNJFDKXSL-MRVPVSSYSA-N 324.362 -0.740 30 20 DBED Cc1cc(C(=O)N[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]2O)n[nH]1 991325188 OPICAHJPQJBATM-OCCSQVGLSA-N 316.361 -0.177 30 20 DBED C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)CC(N)=O)C[C@H]2O)C1 991756427 YZAROJQLPBUMGM-WDEREUQCSA-N 309.366 -0.704 30 20 DBED O=C(NC1CN(C(=O)C#CC2CC2)C1)[C@@H]1CCS(=O)(=O)C1 995417191 ZMKRRNVUKZYKJY-LLVKDONJSA-N 310.375 -0.839 30 20 DBED C=CCN[C@@H]1CCCN(C(=O)CN2CCCS2(=O)=O)C1 999309564 UUURWHJOXVWOEK-GFCCVEGCSA-N 301.412 -0.212 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CN(C)CCO2)C1 1000004844 JTFCRZCHPSYBAN-RDBSUJKOSA-N 323.393 -0.765 30 20 DBED C=CCN1CC=C(CNC(=O)c2cc(=O)n3[nH]cnc3n2)CC1 1001365655 DFSVMFLLFVSBMK-UHFFFAOYSA-N 314.349 -0.035 30 20 DBED C[C@@H](C#N)C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cn1cnnc1O 1002153166 QDKBEEURFLLCNA-ZDCRXTMVSA-N 318.337 -0.609 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCC1CN(C(=O)c2cnco2)C1 1002837190 ZBMFRWIRJLGCGX-ZDUSSCGKSA-N 316.361 -0.040 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C(=O)[C@@H]2CCc3nn[nH]c3C2)CC1 1011635066 DZFWVNYNLIZLFA-GHMZBOCLSA-N 316.365 -0.260 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(C1)CN(C(=O)[C@@H]1CCNC(=O)C1)C2 1018936687 VCRUDUUAXUKYBD-NWDGAFQWSA-N 318.377 -0.267 30 20 DBED N#CCN1[C@H]2CC[C@H]1CC(NC(=O)CN1C(=O)CCC1=O)C2 1021456455 ZKDIQWHBKOKKOA-RYUDHWBXSA-N 304.350 -0.229 30 20 DBED C#CCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1c(C)nc(O)nc1O 1032697712 LOOFLBHZGZWAFU-QWRGUYRKSA-N 302.334 -0.343 30 20 DBED N#CCN1CCO[C@@H](CNC(=O)c2cnn3c2OCCC3)C1 1035436227 OVNYBXOJEXXKOA-NSHDSACASA-N 305.338 -0.380 30 20 DBED C=C(C)CCN1CCO[C@H](CNC(=O)[C@@H]2CN(C)C(=O)N2)C1 1035475528 LOKWAQVYHJMGHQ-OLZOCXBDSA-N 310.398 -0.207 30 20 DBED CC[C@@H]1CN(C(=O)CN2CCOCC2=O)CC[C@H]1NCC#N 1037858551 ITTCTTSNHVEJPX-CHWSQXEVSA-N 308.382 -0.415 30 20 DBED C=CCCOCC(=O)NC[C@@]1(O)CCN(C(=O)CCOC)C1 1040160675 HFWLKXQSJUDAOQ-HNNXBMFYSA-N 314.382 -0.305 30 20 DBED CC#CCN1CC[C@]2(CCN(C(=O)Cn3ncn(C)c3=O)C2)C1 1041420425 CGJLCVYPXPHXQM-INIZCTEOSA-N 317.393 -0.471 30 20 DBED C=CCCCC(=O)N1CC(O)(CNC(=O)Cn2cccn2)C1 1041467327 YHEKJJIMRJUOCL-UHFFFAOYSA-N 306.366 -0.071 30 20 DBED CC[C@H](OC)C(=O)NCC1(O)CN(C(=O)c2c[nH]c(C#N)c2)C1 1041904250 FMCAWNHIXZUSJT-LBPRGKRZSA-N 320.349 -0.386 30 20 DBED CC#CCN1CC[C@H]2CCN(C(=O)C3CC(=O)NC(=O)C3)C[C@H]21 1042267365 XCCDKQARNPSYKI-GXTWGEPZSA-N 317.389 -0.015 30 20 DBED C=CCN1CC[C@H]2CCN(C(=O)CN3C(=O)CNC3=O)C[C@H]21 1042346949 YOSJRNPCFQIFJL-NWDGAFQWSA-N 306.366 -0.353 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)CCc2cnc[nH]2)C1 1042807732 YERQZASUAQTOLF-UHFFFAOYSA-N 318.377 -0.165 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)c2cc(C)[nH]n2)C1 1043033464 ZYNYRXVNIAUWKW-UHFFFAOYSA-N 320.349 -0.939 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)[C@@]23CCC[C@@H]2C3)C1 1043040067 NEWWUGGAOGHKES-PBFPGSCMSA-N 320.389 -0.096 30 20 DBED Cc1nc(C(=O)N[C@@H]2CN(c3ccc(C#N)nn3)C[C@@H]2O)co1 1043914465 PFUIKHROOYNDPO-PWSUYJOCSA-N 314.305 -0.376 30 20 DBED CC(C)(C)C#CC(=O)N1CC(O)(CNC(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1045009912 KUXITMNQVFOOEK-IMRBUKKESA-N 320.389 -0.382 30 20 DBED CCc1ncoc1C(=O)NCC1(O)CN(C(=O)[C@@H](C)C#N)C1 1046327797 HGQWLHGRPUEXLJ-VIFPVBQESA-N 306.322 -0.300 30 20 DBED C#CCN1CC[C@](C)(NC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 1046505954 NCSKITKOUGMGII-WFASDCNBSA-N 301.350 -0.421 30 20 DBED CC#CCN1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 1046969648 CYDCPHHCVOZNGY-QWRGUYRKSA-N 314.336 -0.236 30 20 DBED CN(C(=O)C12CCCN(CCC1)C2)[C@H]1CN(CC#N)C[C@@H]1O 1047424611 QYLZKINGIFXCSK-KBPBESRZSA-N 306.410 -0.111 30 20 DBED N#CCN1C[C@H]2CN(C(=O)C3CCS(=O)(=O)CC3)C[C@H]2C1 1049093238 ZXPZLLWNNPCLDP-BETUJISGSA-N 311.407 -0.275 30 20 DBED C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCS(=O)(=O)N1 1049901206 XPFHJSUTXIRJQT-JHJVBQTASA-N 313.423 -0.071 30 20 DBED C#CCCN1CCOC[C@@H]1CNC(=O)c1ccn(CCOC)n1 1051020026 NGGGEDQMGPYJDV-AWEZNQCLSA-N 320.393 -0.017 30 20 DBED C#CCOCCC(=O)N[C@@H](C)[C@@H]1CCN(C(=O)c2nc[nH]n2)C1 1051337297 ISJKDKLABYPIRJ-NWDGAFQWSA-N 319.365 -0.189 30 20 DBED CCn1nncc1CNC[C@@H]1CN(C(=O)[C@@H](C)C#N)CCO1 1051495477 VEBMINJROAZEDX-WCQYABFASA-N 306.370 -0.225 30 20 DBED C#CCN1CC2(C1)CN(C(=O)[C@@H]1CC(=O)N(C(C)C)C1)CCO2 1053276744 SFDSKVDRFCQHCR-CQSZACIVSA-N 319.405 -0.210 30 20 DBED COc1cc(O)ncc1C(=O)N1CCOC2(CN(CC#N)C2)C1 1053434788 XWZRWGPBASPVCN-UHFFFAOYSA-N 318.333 -0.154 30 20 DBED N#CCN1CC2(CC[C@H](CNC(=O)c3coc(C(N)=O)c3)O2)C1 1053637797 DRIRVNHACRBGKD-LLVKDONJSA-N 318.333 -0.135 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)c3cn4c(n3)CCC4)CO2)C1 1053806675 OJITWGQJYLJGNI-NSHDSACASA-N 301.350 -0.074 30 20 DBED C#CCN[C@@H]1CN(C(=O)Cc2ccc(C(N)=O)nc2)C[C@H]1C 1054798669 XUNGIIXNDQRAQJ-BXUZGUMPSA-N 300.362 -0.207 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H]2CN(C(=O)COCC)C[C@H]2C1 1055142362 WLPLRLBYVUHVQC-BETUJISGSA-N 321.377 -0.921 30 20 DBED CC(=O)NCC(=O)N1C[C@@H]2CCCN(C(=O)C#CC3CC3)[C@@H]2C1 1056660674 NCMXJSHMQKQVQE-LSDHHAIUSA-N 317.389 -0.015 30 20 DBED Cc1ncncc1C(=O)N(CCO)CCNC(=O)C#CC(C)C 1057083175 FQQGTLYOHINCSB-UHFFFAOYSA-N 318.377 -0.005 30 20 DBED C=C[C@](C)(O)CC(=O)NCCN(CCO)C(=O)c1ccon1 1057093957 ZUWIHPOPPIHTRC-AWEZNQCLSA-N 311.338 -0.448 30 20 DBED CO[C@@H](C)CC(=O)NCCN(CCO)C(=O)c1cc(C#N)c[nH]1 1057291766 PQVFESVSSYYOQL-NSHDSACASA-N 322.365 -0.138 30 20 DBED C=CC(C)(C)CC(=O)N(CCO)CCNC(=O)Cn1ncnn1 1057694625 LXBYBSCXZCVDPD-UHFFFAOYSA-N 324.385 -0.788 30 20 DBED COc1cc(C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N)ccn1 1058053846 VLTMRKHSABFLMY-NSHDSACASA-N 320.349 -0.199 30 20 DBED Cn1nncc1C(=O)N[C@H]1CCCN(c2nccnc2C#N)C1 1058151716 ALUIUPRQYUPMOL-JTQLQIEISA-N 312.337 -0.124 30 20 DBED Cc1nonc1CC(=O)N[C@@H]1CCN(c2nccnc2C#N)C1 1058430462 VEYDQIXGKDXZQL-SNVBAGLBSA-N 313.321 -0.023 30 20 DBED C[C@]1(C(=O)N[C@@H]2CCN(c3nccnc3C#N)C2)CCNC1=O 1058541687 RAFPDTSRYVSLPJ-BMIGLBTASA-N 314.349 -0.431 30 20 DBED N#Cc1nccc(N2C[C@@H]3CC[C@H](C2)N3C(=O)Cc2nc[nH]n2)n1 1058775789 VEITXUCQCXZRJE-PHIMTYICSA-N 324.348 -0.111 30 20 DBED CC(C)(C(N)=O)C(=O)N1CC[C@@H](CN=c2cc[nH]c(C#N)n2)C1 1060933647 PZCRYMINKMITTO-JTQLQIEISA-N 316.365 -0.458 30 20 DBED COCCC(=O)NC[C@@H]1COCCN1C(=O)c1cc(C#N)c[nH]1 1061160607 MAZPOUXCVWJWAP-GFCCVEGCSA-N 320.349 -0.120 30 20 DBED C=CCCO[C@@H](C)C(=O)N1CCOC[C@@H]1CNC(=O)COC 1061193022 LONWUAQYKGYURB-STQMWFEESA-N 314.382 -0.042 30 20 DBED C=CCCC(=O)NC[C@@H]1COCCN1C(=O)[C@H]1CC(=O)N(C)C1 1061401817 NAJQGICVTPMMMH-QWHCGFSZSA-N 323.393 -0.226 30 20 DBED CC(=O)N1CC(C(=O)NCC2(NC(=O)[C@@H](C)C#N)CCC2)C1 1062855623 KPUWALYFCVSKRY-JTQLQIEISA-N 306.366 -0.221 30 20 DBED O=C(C#CC1CC1)NC1(CNC(=O)[C@H]2CNC(=O)N2)CCC1 1064272263 KNILUGWKYSETER-LLVKDONJSA-N 304.350 -0.764 30 20 DBED C=CCCC(=O)N1CCO[C@H](CNC(=O)[C@H](C)CC(N)=O)C1 1064960203 SJKJBPCHLYLDGL-VXGBXAGGSA-N 311.382 -0.192 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)c2cnnn2C)CCO1 1065107760 IRGDLDOCEWDMGO-GFCCVEGCSA-N 319.365 -0.568 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H](NC(=O)CS(C)(=O)=O)CC1 1065938524 HFTXNSYFALDICB-MNOVXSKESA-N 315.395 -0.312 30 20 DBED CNC(=O)NCC(=O)N[C@H]1CCCN(C(=O)C#CC2CC2)CC1 1066239659 NKKZVDZZLQHFHF-ZDUSSCGKSA-N 320.393 -0.174 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CCCN(C(=O)Cn2nccn2)CC1 1066479056 OZXXBWBNAWWIIN-RYUDHWBXSA-N 304.354 -0.065 30 20 DBED N#Cc1cnc(NCC2CC(NC(=O)[C@H]3COC(=O)N3)C2)cn1 1067845831 IOGINKATMBWMLR-NWGYLPEXSA-N 316.321 -0.237 30 20 DBED C=CCCC(=O)N1CC2(C1)CN(C(=O)[C@H]1CCNC1=O)CCO2 1068421502 ULCJFLXLAGRFBJ-LBPRGKRZSA-N 321.377 -0.472 30 20 DBED N#CCN1CCn2ncc(CNC(=O)[C@@H]3CC[C@@H]3C(N)=O)c2C1 1069869688 YEULJPSOCSBVBL-NWDGAFQWSA-N 316.365 -0.650 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)C2=COCCO2)CCOCC1 1069968848 QSMCJCBUULQPHU-LLVKDONJSA-N 323.349 -0.184 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)[C@H]2CCOC2)CCOCC1 1070025097 MTZOQZXQAYAPNZ-NEPJUHHUSA-N 309.366 -0.036 30 20 DBED N#CCN[C@@H]1CN(C(=O)[C@H]2CCCOCC2)C[C@@H]1n1ccnn1 1070185470 XLPSAGIAHPQSLJ-MJBXVCDLSA-N 318.381 -0.040 30 20 DBED C=C(C)CN[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@@H]1n1ccnn1 1070187747 OXIDMXIEZVTQTQ-NEPJUHHUSA-N 316.369 -0.362 30 20 DBED C=CCN[C@@H]1CN(C(=O)Cn2nccn2)C[C@@H]1n1ccnn1 1070202826 QUQOIYPLTYYKOA-NEPJUHHUSA-N 302.342 -0.903 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CCCN(C(=O)CNC(=O)C2CC2)C1 1070475754 JGYQQPOEAAFUKU-ZYHUDNBSSA-N 306.366 -0.221 30 20 DBED Cn1nncc1C(=O)N1CCC[C@@H](NC(=O)C#CC2CC2)C1 1070680565 SPMNHYJHAGRTIF-GFCCVEGCSA-N 301.350 -0.051 30 20 DBED C#CCCN1C[C@H]2C[C@@H]3CN(C(=O)[C@@H]4CCC(=O)N4)C[C@@]3(C1)O2 1070882645 YSICYNYBCLUZRF-VWPFQQQWSA-N 317.389 -0.410 30 20 DBED CC#CCN1CCNC(=O)CCN(C(=O)[C@H]2CCCN2C)CC1 1070946891 AOZPZSWOWSOMAV-OAHLLOKOSA-N 320.437 -0.246 30 20 DBED C#CCOCCC(=O)N[C@H]1CN(C(=O)Cn2cccn2)C[C@H]1C 1071598968 GPSXRAFAKKCNAE-KGLIPLIRSA-N 318.377 -0.114 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)CCc2nc[nH]n2)C[C@@H]1C 1071878892 WIHYNMJXAMNCNR-NWDGAFQWSA-N 321.381 -0.097 30 20 DBED C#CCCCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)Cn2cnnn2)C1 1071923000 ZYSYHIBIBLQFCP-OLZOCXBDSA-N 318.381 -0.170 30 20 DBED C[C@H](C#N)C(=O)NC1(C)CCN(C(=O)[C@@H]2CN(C)CCO2)CC1 1072922687 XJHXFBDRQPUWPE-OLZOCXBDSA-N 322.409 -0.026 30 20 DBED C#CCCN1CCCO[C@H](CNC(=O)c2cc(=O)n(C)cn2)C1 1073642381 LTNOFXFYRZYQGF-CYBMUJFWSA-N 318.377 -0.376 30 20 DBED Cc1nnc(CC(=O)N2CC[C@@H]3OCCN(CC#N)[C@@H]3C2)o1 1074233839 XLZQVDLQWPFMQS-NEPJUHHUSA-N 305.338 -0.254 30 20 DBED C#CCN1C[C@@H]2CCN(C(=O)Cn3ccc(O)nc3=O)[C@@H]2C1 1076002836 DLKQJNWTUWTEEI-NWDGAFQWSA-N 302.334 -0.885 30 20 DBED C#CCOCCC(=O)NCC[C@H](C)NC(=O)[C@H]1COC(=O)N1 1076503947 DLEJTLCHNPBTQC-WDEREUQCSA-N 311.338 -0.854 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)c2ccc(C(=O)NC)nc2)C1 1078021749 JULVZWSPIBAKQX-ZIAGYGMSSA-N 316.361 -0.761 30 20 DBED N#CCN[C@H]1C[C@H]2CC[C@H]1N(C(=O)Cn1c(O)nnc1O)C2 1079094733 QKGDPSUPZCFSFZ-KXUCPTDWSA-N 306.326 -0.818 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)[C@H]2CCC(=O)N2)C1 1079486885 MBDNYCSZMBCMGQ-WCQYABFASA-N 323.393 -0.085 30 20 DBED CCN(C(=O)C#CC(C)C)C1CN(C(=O)CCNC(N)=O)C1 1079731361 NWSZOLMAALUYDK-UHFFFAOYSA-N 308.382 -0.237 30 20 DBED C=CCOCC(=O)N1CC(N(CC)C(=O)CNC(=O)NC)C1 1079919030 OQCACSYXEFACJU-UHFFFAOYSA-N 312.370 -0.823 30 20 DBED N#CCSCC(=O)N1C[C@H](O)[C@H](CNC(=O)CC2CC2)C1 1081158067 MIEBSDDZLUVJNT-NEPJUHHUSA-N 311.407 -0.021 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cc(C)[nH]n2)C1 1081307306 IHDGJBRIMNDFAU-WCQYABFASA-N 322.365 -0.530 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2nonc2C)C[C@@H]1O 1081340483 CWAJQXKJKKXLIW-MNOVXSKESA-N 324.337 -0.870 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)c2cc[nH]n2)C[C@@H]1O 1081463975 USQKMXGKLZJVFH-YPMHNXCESA-N 304.350 -0.382 30 20 DBED C[C@H](C#N)C(=O)N1CCCC[C@H]1CNC(=O)C1(NC(N)=O)CC1 1082267301 MGBNBZNQRQZPEE-MNOVXSKESA-N 321.381 -0.156 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cccn(C)c1=O 1083251770 HRVMMSPXNBLWBZ-UONOGXRCSA-N 301.346 -0.456 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](NC(=O)c2cccn3nnnc23)C1 1083491260 VTZAHNBBQBDTCA-OLZOCXBDSA-N 316.365 -0.135 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCn3cc(C)nc3C2)C1 1083568520 CBEULUWOXFZCDL-KFWWJZLASA-N 316.405 -0.061 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)c2cnn(CCN(C)C)c2)C1 1083851001 GQBZXTHDVUOYMP-CABCVRRESA-N 319.409 -0.757 30 20 DBED CCn1nc(C)c(CC(=O)N[C@@H]2CN(CC#N)C[C@@H]2O)c1C 1083963187 KMTGWVHAMXZMCT-KGLIPLIRSA-N 305.382 -0.253 30 20 DBED COc1c(O)nc(O)nc1C(=O)N(C)C[C@H]1CCN1CC#N 1085924015 MBIQVHKLYJILIF-MRVPVSSYSA-N 307.310 -0.434 30 20 DBED C#CCN[C@H]1C[C@@H](CNC(=O)c2cn(CC(=O)N(C)C)nn2)C1 1086278808 PNVMRKSLNDCYKQ-TXEJJXNPSA-N 318.381 -0.903 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@H]1C 1088578956 GGVSBLRUQGMPTK-MNOVXSKESA-N 306.370 -0.468 30 20 DBED C#CCN1CC[C@H](NC(=O)c2ccn(CC(F)F)n2)[C@H](O)C1 1090345501 WWVRZXNYAGXWBU-CMPLNLGQSA-N 312.320 -0.054 30 20 DBED C=CCCN1CC[C@@H](NC(=O)c2nc3ncccn3n2)[C@@H](O)C1 1090657854 IYNABEMEASXAAV-NEPJUHHUSA-N 316.365 -0.135 30 20 DBED C=CCN1CC[C@H](NC(=O)Cc2nc3ncccn3n2)[C@@H](O)C1 1090808942 QLQNJGGXIHDECT-RYUDHWBXSA-N 316.365 -0.596 30 20 DBED C#CCOCCC(=O)N[C@H]1CCN(c2nccc(C)n2)C[C@H]1O 1092165389 XPVOEWGIDLSQCG-UONOGXRCSA-N 318.377 -0.119 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)c3cnn[nH]3)c3nccn32)C1 1092380013 NZWMNQYUWBXEKB-LLVKDONJSA-N 311.349 -0.090 30 20 DBED CNC(=O)CC(=O)N1C[C@@H](C)[C@H](CNc2ccc(C#N)nn2)C1 1092646758 REUKRLVCEVTPJX-GHMZBOCLSA-N 316.365 -0.009 30 20 DBED CCN1C[C@@H](C(=O)NCCNc2ccc(C#N)nn2)CC1=O 1094190542 MLOYFNDKYSFVRK-JTQLQIEISA-N 302.338 -0.255 30 20 DBED C#CCN1CCN(C(=O)C2CC(C)C2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094622798 IYGHYUMHDJIMKL-CLRIEMFWSA-N 310.419 -0.025 30 20 DBED C=CCN1CCN(C(=O)CC(C)(C)O)[C@@H]2CS(=O)(=O)C[C@@H]21 1094628026 VPDNKIQUFDSGCE-NWDGAFQWSA-N 316.423 -0.357 30 20 DBED CC#CCN1CC(N2C[C@H](NC(=O)c3cc[nH]n3)CC2=O)C1 1094709100 IMEDTJOIEHFRNL-LLVKDONJSA-N 301.350 -0.552 30 20 DBED Cc1ccncc1C(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1 1094724162 SBRXWQHKGKHBRM-GFCCVEGCSA-N 313.361 -0.072 30 20 DBED C#CCCN1CC(N2C[C@H](NC(=O)[C@@H]3CCN(C)C3)CC2=O)C1 1094815214 OHYNEUDPMSTUEU-ZIAGYGMSSA-N 318.421 -0.637 30 20 DBED C[C@H](C(=O)NCCCN=c1cc[nH]c(C#N)n1)S(C)(=O)=O 1094877108 LFBSBWDWZXBVFL-SECBINFHSA-N 311.367 -0.879 30 20 DBED N#Cc1cncc(N[C@H]2CCCN(C(=O)CCNC(N)=O)C2)n1 1095295801 JOWSVRJTDKXULO-JTQLQIEISA-N 317.353 -0.190 30 20 DBED CN(CCCNC(=O)CCn1ccnn1)c1cncc(C#N)n1 1095535581 MQHFDXADMDVMDW-UHFFFAOYSA-N 314.353 -0.027 30 20 DBED CCN(CCCNC(=O)Cn1ncnn1)c1ncccc1C#N 1095925083 AQNMYVISTJJHBX-UHFFFAOYSA-N 314.353 -0.027 30 20 DBED C[C@H](C(=O)N[C@H]1CCN(c2cncc(C#N)n2)C1)S(C)(=O)=O 1096502046 JCTHBTLGLAIDIZ-ZJUUUORDSA-N 323.378 -0.524 30 20 DBED COC(=O)NCC(=O)N[C@H]1C[C@H](N=c2cc[nH]cc2C#N)C1 1096990500 ZROYGXKDRIKAKS-XYPYZODXSA-N 303.322 -0.210 30 20 DBED Cc1ccc(C#N)c(N[C@H](C)CNC(=O)Cn2ncnn2)n1 1098084336 IONMTGSYOABDCG-SNVBAGLBSA-N 300.326 -0.135 30 20 DBED Cc1cc(C#N)nc(N[C@@H](C)CNC(=O)[C@@H]2CNC(=O)N2)n1 1098249999 FYWZBGWVJRCROV-WPRPVWTQSA-N 303.326 -0.745 30 20 DBED C#CCN(CCO)C1CCN(C(=O)[C@@]2(COC)CCOC2)CC1 1098442884 ROWYETMAYCBVIJ-QGZVFWFLSA-N 324.421 -0.042 30 20 DBED C[C@H]1CCN(C(=O)C(=O)N2CCC(N(CC#N)CCO)CC2)C1 1098529238 YVYIJBBRNRHQIT-ZDUSSCGKSA-N 322.409 -0.336 30 20 DBED C[C@@H](CCNC(=O)[C@@H]1COC(=O)N1)N=c1cc[nH]c(C#N)n1 1099077549 OUWOBZVOIBBHMV-IUCAKERBSA-N 304.310 -0.815 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2ccncc2)[C@@H](O)C1 1099620747 QJDUZUCKBVHKMQ-CABCVRRESA-N 303.362 -0.104 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2cc(C)no2)[C@H](O)C1 1099654704 QOTKWJNUGQEPIU-QWHCGFSZSA-N 307.350 -0.202 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(Cc2cnsn2)C[C@H]1O 1099738717 RQPBQBMUWMFAPT-VXGBXAGGSA-N 312.395 -0.208 30 20 DBED Cn1ncc(CN2CC[C@@H](NC(=O)C#CC3CC3)[C@H](O)C2)n1 1099826663 OJFGOECXSVOPFY-ZIAGYGMSSA-N 303.366 -0.720 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CCc2ccn(C)n2)[C@@H](O)C1 1099858018 GDVSFNCOXBZOBB-CABCVRRESA-N 304.394 -0.073 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2[nH]c(O)nc2C)[C@@H](O)C1 1099885428 MUOAAHQAVTXEMC-RYUDHWBXSA-N 322.365 -0.761 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)c2c[nH]c(=O)cn2)[C@@H](O)C1 1099966834 DBEGUXFNINNUEL-YPMHNXCESA-N 322.365 -0.863 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)C2(C(C)C)CC2)[C@@H](O)C1 1099995589 BJSFVTICBNTKLL-KGLIPLIRSA-N 321.421 -0.277 30 20 DBED N#CCN1CC[C@H](NC(=O)CNC(=O)c2ccsc2)[C@@H](O)C1 1100119985 SOANSESDXYJCAQ-RYUDHWBXSA-N 322.390 -0.447 30 20 DBED C=CCNC(=O)CNC1CC(CNC(=O)[C@]2(C)CCNC2=O)C1 1100668918 LCRQHKJJPUAZGI-ZEPSKSRBSA-N 322.409 -0.701 30 20 DBED CC#CCNC1CC(CNC(=O)[C@@H](C)NS(C)(=O)=O)C1 1100706634 QCHQVLODNMVSDH-VOMCLLRMSA-N 301.412 -0.568 30 20 DBED C#CCCNC1CC(CNC(=O)[C@H]2CCN(C)S2(=O)=O)C1 1100747316 GNUZMFKUPSFXSC-WXRRBKDZSA-N 313.423 -0.472 30 20 DBED CNC(=O)CC(=O)NC[C@H]1CCN(c2cncc(C#N)n2)C1 1100977916 ZZNVKALJDHXMJG-SNVBAGLBSA-N 302.338 -0.573 30 20 DBED Cc1cc(C#N)nc(NCCN(C)C(=O)C2CS(=O)(=O)C2)n1 1101794592 PIXGOYJXPRHLCH-UHFFFAOYSA-N 323.378 -0.428 30 20 DBED CN(CCNc1cnc(C#N)cn1)C(=O)[C@H]1CCCC(=O)N1 1101825939 WEPYQUAIJZIIDD-LLVKDONJSA-N 302.338 -0.113 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@@H]1CCN(c2ncccn2)C1 1102316802 RPNXFHXORQAKPK-CYBMUJFWSA-N 315.377 -0.051 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1CNC(=O)CC[C@@H]1NC(=O)NC1=O 1102563377 VRTBUYKRJFUYFE-MXWKQRLJSA-N 307.354 -0.818 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H]1CN(c2ncc(F)cn2)CCO1 1104330443 PFTUQUYQKLMXBR-YPMHNXCESA-N 322.340 -0.025 30 20 DBED Cc1cc(=NC[C@@H](O)CNC(=O)Cc2ccon2)c(C#N)c[nH]1 1105763243 FPWZFZCSUSUYBO-CYBMUJFWSA-N 315.333 -0.197 30 20 DBED N#Cc1nc(=NC[C@H](O)CNC(=O)CC[C@@H]2CCOC2)cc[nH]1 1105786264 IGBCPPDANPMVEZ-NEPJUHHUSA-N 319.365 -0.524 30 20 DBED CNC(=O)CCCC(=O)NC[C@H](O)CNc1ccc(C#N)nn1 1105795178 VIHTUQWGJALZQZ-LLVKDONJSA-N 320.353 -0.846 30 20 DBED Cc1nnc(CC(=O)NC[C@H](O)CNc2ncccc2C#N)o1 1105815475 JSUVDMFPSUXJPD-NSHDSACASA-N 316.321 -0.224 30 20 DBED N#Cc1cccnc1NC[C@H](O)CNC(=O)C[C@@H]1COC(=O)C1 1105819558 GDXMPKHAQNOKGF-CMPLNLGQSA-N 318.333 -0.205 30 20 DBED CCn1nncc1C(=O)NC[C@@H](O)CNc1cnc(C#N)cn1 1105822571 SFLJPNJBGNMWDD-JTQLQIEISA-N 316.325 -0.838 30 20 DBED CCC(=O)N[C@@H](C)C(=O)NC[C@@H](O)CNc1cncc(C#N)n1 1106141061 VRSGAKJDLPUYNM-ONGXEEELSA-N 320.353 -0.848 30 20 DBED C[C@@H](CCNc1cnc(C#N)cn1)NC(=O)[C@@H]1CN(C)CCO1 1106293482 HVVZAIGZHRQECO-AAEUAGOBSA-N 318.381 -0.014 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@@H]1CN(C(=O)c2cnn[nH]2)C[C@H]1C 1106365809 IJBMOMMLFBOYPU-GRYCIOLGSA-N 318.381 -0.760 30 20 DBED C[C@@H](CCNc1ccc(C#N)nn1)NC(=O)[C@@H]1CCC(=O)N1 1106393178 ICSIXENLAPCVDK-ONGXEEELSA-N 302.338 -0.066 30 20 DBED C[C@H](CCNc1nccnc1C#N)NC(=O)c1nnn(C)n1 1106523599 OZZOBMBWXHOLOQ-MRVPVSSYSA-N 301.314 -0.508 30 20 DBED CCN1CCO[C@H](C(=O)N[C@H](C)CNc2ccc(C#N)nn2)C1 1107775950 JSZHNBLHOPDXTQ-YPMHNXCESA-N 318.381 -0.014 30 20 DBED C#CCCN1CCO[C@](C)(CNC(=O)CCN2CCOCC2)C1 1108280743 YESPFXKLGKKHTA-QGZVFWFLSA-N 323.437 -0.061 30 20 DBED CC(=O)N1CC[C@@H](C(=O)NC[C@@]2(C)CN(CC#N)CCO2)C1 1108369108 JZGPONIYMKQVMX-HIFRSBDPSA-N 308.382 -0.415 30 20 DBED C[C@H](CN(C)c1ccc(C#N)nn1)NC(=O)[C@]1(C)CCC(=O)N1 1109242133 DVAVAKFSGVYJEG-BMIGLBTASA-N 316.365 -0.042 30 20 DBED C#CCCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H](C)NS(C)(=O)=O 1109763362 PAIURJGCYSQDLT-NDBYEHHHSA-N 313.423 -0.331 30 20 DBED CN1CC[C@@H](C(=O)NCC2(N=c3cc[nH]cc3C#N)CC2)C1=O 1110306923 GTGQENJTOOUOBS-LBPRGKRZSA-N 313.361 -0.086 30 20 DBED C[C@H](C(=O)NC(N)=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C#CC1CC1 1110543575 YDVWNWXWBOBFPW-JHEVNIALSA-N 318.377 -0.295 30 20 DBED CC(C)NC(=O)CN(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC#N 1110768942 NZOWHFOMEXNRFU-MCIONIFRSA-N 321.425 -0.312 30 20 DBED N#Cc1ccc(N2CC[C@](O)(CNC(=O)c3cnn[nH]3)C2)cn1 1111143631 VJBITLUNCXHFEC-AWEZNQCLSA-N 313.321 -0.557 30 20 DBED N#Cc1cnc(NCCN(CCO)C(=O)CC(N)=O)c(F)c1 1111440997 PLKGAFBPZAVPOM-UHFFFAOYSA-N 309.301 -0.799 30 20 DBED C#CCOCCC(=O)N(CCO)CCNc1ccc(C#N)nn1 1111511076 WEEFXTMOGWWAPI-UHFFFAOYSA-N 317.349 -0.379 30 20 DBED CC(C)(O)CC(=O)NC[C@H]1COCCN1c1nccnc1C#N 1111678294 YIDPRQQLWWPTOR-NSHDSACASA-N 319.365 -0.169 30 20 DBED Cc1ccc(C#N)c(N2CCOC[C@@H]2CNC(=O)CC(N)=O)n1 1111680087 ZTQOFSFFFSUQCP-LBPRGKRZSA-N 317.349 -0.542 30 20 DBED N#Cc1ccc(NC2(CNC(=O)Cn3ncnn3)CCC2)nn1 1111851206 NWOSYNAKKSMELB-UHFFFAOYSA-N 313.325 -0.514 30 20 DBED CNC(=O)CC(=O)N1C[C@H](C)[C@@H](Nc2nccnc2C#N)C1 1112309394 ZALXTNPUCIWGBJ-ONGXEEELSA-N 302.338 -0.257 30 20 DBED CNC(=O)CC(=O)N[C@H]1CCN(c2ccnc(C#N)n2)[C@H](C)C1 1112470637 XXWVVSMCQMWRER-MNOVXSKESA-N 316.365 -0.042 30 20 DBED C#CCO[C@H](C)C(=O)N1CCN([C@@H]2CCN(CC=C)C2=O)CC1 1112846248 JKQCTYYWQSMIEU-HUUCEWRRSA-N 319.405 -0.044 30 20 DBED Cc1cc(C(=O)N2CCN(CC(=O)NCC#N)CC2)ccn1 1113443896 DYRAKXDBUXEUSH-UHFFFAOYSA-N 301.350 -0.212 30 20 DBED C[C@H](CNC(=O)[C@@H]1CCC(=O)NC1)N(C)c1cnc(C#N)cn1 1113961615 RTYZAIXIQZLTAF-GHMZBOCLSA-N 316.365 -0.185 30 20 DBED N#CCN1C[C@H]2[C@H](NC(=O)CCNC(=O)[C@H]3CCCO3)[C@H]2C1 1115350338 RKKFDTGZZVKJMB-CZXHOFHRSA-N 306.366 -0.758 30 20 DBED COC(=O)Cn1ncc(NC(=O)C(=O)NCCCC#N)c1C 1116895394 DVFSPHXSUMUWLR-UHFFFAOYSA-N 307.310 -0.277 30 20 DBED CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1118152554 NMMULFDWFXODGC-CJNGLKHVSA-N 322.409 -0.146 30 20 DBED CN(C[C@@H]1CCC[C@@H]1O)C(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1118250150 NJCMHKUQNLJMJY-HUBLWGQQSA-N 309.366 -0.517 30 20 DBED N#CC1(NC(=O)CN2CCCCS2(=O)=O)CCOCC1 1119530090 RWWLGISZNMBBHR-UHFFFAOYSA-N 301.368 -0.399 30 20 DBED Cc1nn(C)cc1C(=O)NC[C@H](CO)Nc1nccnc1C#N 1121214125 WWRTYZPYBKVBJF-SNVBAGLBSA-N 315.337 -0.407 30 20 DBED C=CCN(C(=O)C[C@]1(O)CCCNC1)[C@H]1CCS(=O)(=O)C1 1121852346 ULCWXNWCKCRXAX-GXTWGEPZSA-N 316.423 -0.307 30 20 DBED C[C@@H]1CC[C@H](C(=O)NC[C@@H](CO)N=c2cc[nH]c(C#N)n2)O1 1122658954 FANYEXAAJXGHEW-OUAUKWLOSA-N 305.338 -0.773 30 20 DBED C[C@@H]1OCCO[C@@H]1C(=O)NC[C@H](CO)Nc1cnc(C#N)cn1 1122776224 OPXJABITDHQGJB-NDMJEZRESA-N 321.337 -0.959 30 20 DBED C[C@@H]1[C@H](Nc2cnc(C#N)cn2)CCN1C(=O)CCNC(N)=O 1123013310 UQPMBIZJMBEGOJ-MWLCHTKSSA-N 317.353 -0.192 30 20 DBED C[C@H]1[C@H](NC(=O)CNC(N)=O)CCCN1c1ccnc(C#N)n1 1123514390 QXYGYBMRRRESAW-VHSXEESVSA-N 317.353 -0.510 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)c1cc[nH]n1 1124047314 UASSQITXIVYFNF-VIFPVBQESA-N 301.310 -0.962 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C[C@H](O)CN=c1cc[nH]cc1C#N 1124520754 WQPHQXFQPFDIBF-GXTWGEPZSA-N 316.361 -0.355 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)[C@]1(F)CCOC1 1124665944 WPPGYPQETKIXLR-YGRLFVJLSA-N 323.328 -0.870 30 20 DBED C#CCNC(=O)CC(=O)NCCNCCn1nc(C)cc1C 1125997873 DPGIMMILZYSLHW-UHFFFAOYSA-N 305.382 -0.655 30 20 DBED C[C@H](NC(=O)CC(N)=O)C1CCN(c2nccnc2C#N)CC1 1126724047 AQBWYAQTKSWJCI-JTQLQIEISA-N 316.365 -0.055 30 20 DBED C#CCO[C@@H](C)C(=O)NCCNCC(=O)N(CC=C)CC=C 1127051347 GQYVWEGUMDPLEN-AWEZNQCLSA-N 307.394 -0.069 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@H]1CCCN1CCC 1128787309 ZFBQHJZVPSESDC-UONOGXRCSA-N 308.426 -0.296 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)C2(C(N)=O)CC2)C1 1129223513 FZYDBILLHWSXCP-MNOVXSKESA-N 304.354 -0.929 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CCc2cncn2C1 1130487437 GPQJBIDSVQSYEP-QWHCGFSZSA-N 317.393 -0.711 30 20 DBED C=CCOCC(=O)N1C[C@@H](NC[C@H](C)O)[C@H](c2cn(C)cn2)C1 1130542856 MZLYEWXEUCCJNA-KCQAQPDRSA-N 322.409 -0.113 30 20 DBED O=C(C#CC1CC1)NCc1nc([C@H]2C[C@H](F)CN2CCO)n[nH]1 1131154543 SDMPJJXDIUKQAM-NWDGAFQWSA-N 321.356 -0.089 30 20 DBED C[C@H]1CC[C@@H](NC(=O)c2ncc[nH]2)CN1CC(=O)NCC#N 1132005629 ALNURGHUHYDULT-WDEREUQCSA-N 304.354 -0.368 30 20 DBED C#CCNC(=O)CNCCNC(=O)Cc1ccc2c(c1)CCO2 1132073689 RVJMNFUOWRTWGA-UHFFFAOYSA-N 315.373 -0.381 30 20 DBED C#CCN1C[C@@H](NC(=O)CN(C)S(C)(=O)=O)CC[C@@H]1C 1132079279 WIXBWZCGYBPTFN-RYUDHWBXSA-N 301.412 -0.520 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)Cc2nc[nH]n2)CC[C@@H]1C 1132414456 QKIKFKLTXFWMOE-RYUDHWBXSA-N 318.381 -0.934 30 20 DBED C#CCNC[C@@H]1CN(C(=O)CN(C)S(C)(=O)=O)CC[C@H]1C 1132865564 OZWFUPAHEDQWMB-CHWSQXEVSA-N 315.439 -0.415 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)C[C@H](C)NCc1cnn(C)c1 1134131140 RFZDNILGAOKGAG-QWHCGFSZSA-N 319.409 -0.068 30 20 DBED Cc1ccnc(C(=O)N[C@H](C)C[C@@H](C)NCC(=O)NCC#N)n1 1134243573 CALNCQKBYXHXBT-VXGBXAGGSA-N 318.381 -0.089 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@@H](C)Cc1c(C)noc1C 1134926200 ZUVRWKIGPZUMMV-NSHDSACASA-N 320.393 -0.075 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCNCCN1C(=O)CCC1=O 1135147832 PQHBMSRVKLGIEK-WFASDCNBSA-N 323.393 -0.178 30 20 DBED C=CCNC(=O)CNCCNC(=O)C1(NC(C)=O)CCCC1 1135199975 PMUFPINTKHCTRX-UHFFFAOYSA-N 310.398 -0.557 30 20 DBED C#CCCN[C@H](C)C[C@H](C)NC(=O)c1cn(C)c(=O)n(C)c1=O 1135613539 GVACMHKZAWXPES-NEPJUHHUSA-N 320.393 -0.406 30 20 DBED N#CCN1CCC2(C1)CN(C(=O)C(=O)NCC(F)(F)F)C2 1148524959 YGQOPTAYDBYDNC-UHFFFAOYSA-N 304.272 -0.277 30 20 DBED C=CCNC(=O)CN1CCCO[C@@H](CNC(=O)[C@@H](C)OC)C1 1149295060 YTTJQKTZXUYSMH-OLZOCXBDSA-N 313.398 -0.469 30 20 DBED C#CCNC(=O)CN1CCCO[C@@H](CNC(=O)[C@H](C)C#N)C1 1149406704 KAGHYWBEDDAJSI-OLZOCXBDSA-N 306.366 -0.897 30 20 DBED CC#CCN1CCCO[C@@H](CNC(=O)CCc2cnn(C)n2)C1 1150325291 PLAPWKIRZXZLEC-HNNXBMFYSA-N 319.409 -0.022 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@@H](NC(C)=O)C(C)(C)C 1153719188 ARFJKTZCWVDGJZ-WCQYABFASA-N 324.425 -0.619 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)CNC(=O)OC)C1=O 1155137506 GNGMHTKNXFUEFZ-LLVKDONJSA-N 312.370 -0.775 30 20 DBED N#CCNC(=O)CNCCCNC(=O)c1cnc2cc[nH]c2c1 1160669901 HWAPLVUSSDCNAQ-UHFFFAOYSA-N 314.349 -0.088 30 20 DBED C=CCOCCNCCCNC(=O)CCN1C(=O)CCC1=O 1162040766 LOGFOGFKNVMYTD-UHFFFAOYSA-N 311.382 -0.176 30 20 DBED C[C@H](CC(N)=O)C(=O)NCCC1(CNCC(=O)NCC#N)CC1 1166546405 YFCKYRVBUYTPOK-LLVKDONJSA-N 323.397 -0.986 30 20 DBED N#CCNC(=O)CNCC1(CCNC(=O)Cc2ncc[nH]2)CC1 1167528720 GYMBRDGRCYMEAL-UHFFFAOYSA-N 318.381 -0.532 30 20 DBED C=CCCNCCCNC(=O)Cn1ncn2nccc2c1=O 1167541797 DFXAZTMXBVRKDG-UHFFFAOYSA-N 304.354 -0.437 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)c1c[nH]c(C)cc1=O 1170096738 AIKQMFWCUFBDCX-LBPRGKRZSA-N 318.377 -0.469 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)[C@@H]1CCN(C(C)=O)C1 1174851431 RDHPOTNMNIKWGR-TZMCWYRMSA-N 324.425 -0.359 30 20 DBED COCC#CCN1CCO[C@H]2CCN(C(=O)CCOC)C[C@@H]21 1176877732 XYHNWWAGTJZRBR-GJZGRUSLSA-N 310.394 -0.026 30 20 DBED Cn1cc(C(=O)NCCCCCCNCC(=O)NCC#N)nn1 1178384063 KHHHYENCZQEWCH-UHFFFAOYSA-N 321.385 -0.665 30 20 DBED C=CCCn1cc(C(=O)N2CC[C@H](NCC(=O)NC)[C@@H]2C)nn1 1179688986 QVKHWZXVSIDBKU-RYUDHWBXSA-N 320.397 -0.207 30 20 DBED C#CCCN[C@H]1CCN(C(=O)Cn2nc(C)n(C)c2=O)[C@H]1C 1180037410 MLMFVNFECQESKX-AAEUAGOBSA-N 305.382 -0.507 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)c2ccn(C)c(=O)c2)C1 1183683967 MXSGDLMDIVJTRW-CYBMUJFWSA-N 318.377 -0.508 30 20 DBED CC#CCNC[C@H]1CCN(C(=O)c2nnc(O)nc2O)C[C@H]1C 1184747091 LJFPDMNHGUMKKA-GHMZBOCLSA-N 319.365 -0.006 30 20 DBED C[C@@H]1CN(C(=O)CCn2ncn(C)c2=O)CC[C@@H]1CNCC#N 1184874175 YGZKVXYKUYEXRP-CHWSQXEVSA-N 320.397 -0.430 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CN(CCCN2CCCC2=O)C[C@H]1O 1191880984 DTWCWLFWZGNNCW-JHJVBQTASA-N 308.382 -0.680 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)Cc2cnoc2)C1 1195561393 OQHBNWFDJXLTIT-CYZMBNFOSA-N 322.365 -0.931 30 20 DBED C#CCOCCC(=O)N1CCCN(Cc2nc(=O)n(C)[nH]2)CC1 1195824205 MBZXRSHTCPTCIV-UHFFFAOYSA-N 321.381 -0.817 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)CCc2cc(C)on2)C1 1196123274 OSTYWDWQMDLUAD-HUUCEWRRSA-N 321.377 -0.273 30 20 DBED Cn1nccc1COCC(=O)N1CCCO[C@H](CNCC#N)C1 1200786843 JRUHTXZDICVKKV-CQSZACIVSA-N 321.381 -0.333 30 20 DBED C=CCCCNC[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)CCCO1 1201268107 CIFZMDNRNXKCTA-CHWSQXEVSA-N 310.398 -0.159 30 20 DBED CCOCC(=O)N[C@@H]1C[C@H](NCC(=O)NCC#N)C12CCC2 1202373258 ZQJFHUNABYQIJP-NWDGAFQWSA-N 308.382 -0.320 30 20 DBED C#CCCNCC1CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)CC1 1206508021 UBYPPGPNBQPSKH-AWEZNQCLSA-N 322.409 -0.782 30 20 DBED C[C@@H]1CN(CCN2C(=O)CNC2=O)C[C@H]1NC(=O)C#CC1CC1 1206951788 JJLQKPHUNUFOKX-DGCLKSJQSA-N 318.377 -0.612 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H](NCCN(C)S(C)(=O)=O)C1 1207689523 ZWEIWZBWVMQZBV-VXGBXAGGSA-N 316.427 -0.382 30 20 DBED CC#CCN[C@@H]1CCCN(C(=O)CCc2nnc(O)nc2O)C1 1208486380 KAMSUSCSYAFQBJ-LLVKDONJSA-N 319.365 -0.181 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)[C@]2(C)CCOC2)[C@H](C)C1 1209732414 RGZDFSKSBHLYDB-XJKCOSOUSA-N 307.394 -0.401 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2CCC(=O)N2)C1 1210757785 WVNWRNBPWYKLLH-RYUDHWBXSA-N 308.382 -0.852 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2CCN(C)C2)C1 1211064245 LLGZUZNILXVWOD-ZIAGYGMSSA-N 306.410 -0.732 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)CN2CCCC2)C1 1211081995 OLQLTRCHUUZTSQ-CQSZACIVSA-N 306.410 -0.588 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)CCC(=O)NCC)C[C@H]1C 1214317578 JSABGHRDBWGFKQ-CHWSQXEVSA-N 324.425 -0.359 30 20 DBED C=CCCCN[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@H]1C 1215009856 CKBKZRHWAPPNOY-CHWSQXEVSA-N 307.398 -0.016 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C2(F)CCCC2)C1 1219923024 UCEDVPPGDYOBIV-NEPJUHHUSA-N 313.373 -0.268 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@@H]2CN(C(=O)c3cocn3)[C@@H]2C1 1221432826 HBPFWBCYZLBQRJ-YRGRVCCFSA-N 316.361 -0.041 30 20 DBED C#CCN1CC[C@@H]2CCN(C(=O)[C@H](C)NS(C)(=O)=O)C[C@@H]21 1223572289 GBCZBMYYAOYJAQ-XQQFMLRXSA-N 313.423 -0.520 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCO1 1224630264 QBVXELJUOUOCIL-MGPQQGTHSA-N 307.394 -0.068 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC(NC(=O)[C@@H](C)NC(C)=O)CC1 1225964277 OFCXBPJIZOGMPW-VXGBXAGGSA-N 322.409 -0.771 30 20 DBED C#CCN[C@@H]1CCCC[C@H]1NC(=O)CS(=O)(=O)CCOC 1227114498 SCQFDRKNAIHFTH-CHWSQXEVSA-N 316.423 -0.302 30 20 DBED C#CCOCCC(=O)NC1CCN(Cc2cnnn2C)CC1 1227331904 BSPIUFCJFVLFCV-UHFFFAOYSA-N 305.382 -0.064 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)C1=COCCO1 1230653552 FIJCVKOSINAVIJ-LBPRGKRZSA-N 307.350 -0.843 30 20 DBED C#CCOCCC(=O)N(C)C[C@H]1CCN1CC(=O)NC(=O)NC 1234266324 PIKUZZMFZMUDDU-GFCCVEGCSA-N 324.381 -0.985 30 20 DBED C=CCn1c(Cc2nc[nH]n2)nnc1N1CCS(=O)CC1 1262961121 YDHPELUGELFLKV-UHFFFAOYSA-N 307.383 -0.258 30 20 DBED C[C@H](CS(C)(=O)=O)NC(=O)C(=O)NCc1ccc(C#N)cc1 1322163027 WCBDXAMWSMWZCY-SNVBAGLBSA-N 323.374 -0.276 30 20 DBED C=CCN(C(=O)CCS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1323018644 HYLKYSLJWMQUGP-SNVBAGLBSA-N 309.409 -0.377 30 20 DBED Cc1nc(O)c(C#N)c(C)c1CCC(=O)NCC(=O)NCC#N 1328649751 KLJJOYMXSPZJFT-UHFFFAOYSA-N 315.333 -0.036 30 20 DBED N#CC1(NC(=O)CN2C(=O)NC3(CCNCC3)C2=O)CCC1 1329282524 UNUKOYWLKNNEIM-UHFFFAOYSA-N 305.338 -0.777 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)CCN/C(O)=C1/N=CC=CC1=O 1329381470 ZJEXRXWQFCHBAY-ZSNVJIKNSA-N 319.317 -0.416 30 20 DBED O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@H](C(=O)O)C1CC1 1329962699 IOOCGTLLXDQUHW-IMTQZCPYSA-N 307.306 -0.260 30 20 DBED C#CCOCCNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 1329999972 DROFWHBSJWTRBI-UONOGXRCSA-N 307.394 -0.115 30 20 DBED C#CC[C@@H]1NC(=O)N([C@@H]2CCc3nc(COC)nn3C2)C1=O 1332447609 VDOSJYOZUNNIJR-ZJUUUORDSA-N 303.322 -0.317 30 20 DBED N#C[C@]1(F)CCN(C(=O)C(=O)N2CC(N3CCCC3=O)C2)C1 1335177633 SNTWGHSKEQSKLC-CQSZACIVSA-N 308.313 -0.716 30 20 DBED C=CCn1c(C[C@H](C)O)nnc1N1CCO[C@@H](C(=O)OC)C1 1342132600 YMRXVOARVSFYIQ-WDEREUQCSA-N 310.354 -0.234 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N1CCC[C@@H](OCCO)C1 1343080708 PKQFIYSLCKCXCQ-NWDGAFQWSA-N 300.355 -0.697 30 20 DBED CN1[C@H]2CC[C@H]1CN(C(=O)C(=O)N1CC[C@@](O)(CC#N)C1)CC2 1345974169 WDQGERBJPDLQFK-XEZPLFJOSA-N 320.393 -0.441 30 20 DBED C=CCn1cc(CNC(=O)C(=O)NCC(=O)N(CC)CC)nn1 1352349477 YQBPMGVTFZHNGB-UHFFFAOYSA-N 322.369 -0.935 30 20 DBED N#Cc1cc(C(=O)NC[C@@]2(O)CCS(=O)(=O)C2)cs1 1362960455 WMXSSXTUENAICY-NSHDSACASA-N 300.361 -0.101 30 20 DBED CN(CCS(N)(=O)=O)C(=O)CNC(=O)c1ccc(C#N)cc1 1363313138 VMWVGUFMEHJECJ-UHFFFAOYSA-N 324.362 -0.965 30 20 DBED CN(Cc1nnc2n1CCN(C)C2=O)C(=O)c1ccc(C#N)[nH]1 1363404251 SJPVTKKHTGVJAW-UHFFFAOYSA-N 313.321 -0.164 30 20 DBED C[C@H]1CN(c2[nH]c(=O)n(C)c(=O)c2C#N)C[C@@]2(CCCOC2)O1 1363731709 MEWDXEMYGIVFII-ZUZCIYMTSA-N 320.349 -0.280 30 20 DBED COC[C@](C)(CO)NCCS(=O)(=O)c1ccc(C#N)cn1 1364486208 NHAMDMKRWDUSJV-ZDUSSCGKSA-N 313.379 -0.286 30 20 DBED C[C@@H]1CCN(C(=O)Cn2cnnn2)[C@H](CNC(=O)[C@H](C)C#N)C1 1371736294 NOOOTIGZKHJTFN-UTUOFQBUSA-N 319.369 -0.424 30 20 DBED COC(=O)NCC(=O)N[C@H](C)CNC(=O)c1ccc(C#N)[nH]1 1372852803 MXDLFCYHCJEZMN-MRVPVSSYSA-N 307.310 -0.523 30 20 DBED C[C@H](CN(C)C(=O)Cn1ncnn1)NC(=O)c1cc(C#N)c[nH]1 1381993335 HTALESSXEMXJMQ-SECBINFHSA-N 316.325 -0.850 30 20 DBED CC(C)NC(=O)NC(=O)[C@@H](C)N(C)CCNC(=O)[C@@H](C)C#N 1390742662 PYLZYGJQEUVRMM-WDEREUQCSA-N 311.386 -0.183 30 20 DBED C=C(Cl)CN(C)CCN(C)C(=O)Cn1cnc(C(N)=O)n1 1392277678 DEHNDMLZJVVNLD-UHFFFAOYSA-N 314.777 -0.480 30 20 DBED C[C@H](C#N)C(=O)NC1CCN(C(=O)CCN2CCOCC2)CC1 1396832460 JRWHNSGJPNRHEW-CYBMUJFWSA-N 322.409 -0.024 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1cc2cnccc2[nH]1 1399868680 YNKCGZFHTPYYDF-MWLCHTKSSA-N 315.333 -0.071 30 20 DBED C[C@H](C#N)C(=O)NC1CN(Cc2cc(=O)n3nccc3[nH]2)C1 1404743467 KFQUQUKXCURJPJ-SECBINFHSA-N 300.322 -0.517 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@@H]1CCN(C(=O)CNC(=O)C2CC2)C1 1407203055 OKTRJNDXSWOZPQ-CMPLNLGQSA-N 306.366 -0.268 30 20 DBED CN(C)C(=O)NC1CCN(C(=O)Cn2cnc(C#N)n2)CC1 1412985872 CYRAJNJOHJKLAY-UHFFFAOYSA-N 305.342 -0.588 30 20 DBED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CC[C@@H]2CO)c1 1413873023 SWKSYDYVSXZRAJ-LLVKDONJSA-N 309.347 -0.570 30 20 DBED Cn1c(=O)[nH]c(N(CCO)Cc2cccnc2)c(C#N)c1=O 1434438138 XXYBSIWNSNIHSA-UHFFFAOYSA-N 301.306 -0.661 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CCCS2(=O)=O)C1 1447453969 ZBIILHWFMYWXEF-DBIOUOCHSA-N 313.379 -0.513 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H](CNC(=O)CS(C)(=O)=O)C1 1447601613 NNYWKALFAMMFDU-GHMZBOCLSA-N 315.395 -0.455 30 20 DBED CCS(=O)(=O)CC(=O)N(C)C[C@@H]1CCN1C(=O)[C@@H](C)C#N 1452866192 ZVQVLSJAAALLIV-QWRGUYRKSA-N 315.395 -0.360 30 20 DBED CC[C@@H](C)[C@@H](OC)C(=O)NCCn1cc(C#N)c(O)nc1=O 1453847436 ZITBURRXHWYHNQ-MWLCHTKSSA-N 308.338 -0.002 30 20 DBED COCCN(C)CCn1c(C)nnc1N1CCO[C@H](C#N)C1 1460587128 DKTSQVYIUPCODV-CYBMUJFWSA-N 308.386 -0.107 30 20 DBED N#Cc1ccc(CNC[C@H](O)CNC(=O)[C@H]2CCC(=O)N2)s1 1482712870 HQKCLXFWQCPDQM-JOYOIKCWSA-N 322.390 -0.535 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1C[C@@H](NC(=O)CCc2cnn[nH]2)C1 1489846673 VVKVYIVDUBPOTP-JBLDHEPKSA-N 304.354 -0.092 30 20 DBED CC[C@@H](CNC(=O)[C@@H]1CCC(=O)N1)NC(=O)c1ccc(C#N)[nH]1 1531343923 DTYWXACLWOHTAX-ONGXEEELSA-N 317.349 -0.210 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@H]2CCN(CCc3cnn[nH]3)C[C@H]21 1575013490 PUPZLWDTMXJAEG-GZBFAFLISA-N 317.393 -0.082 30 20 DBED CO[C@@H]1COCC[C@@H]1N(C)c1cnc(C#N)c(-c2nn[nH]n2)n1 1579618948 NMOQZTXUDPLDGM-VHSXEESVSA-N 316.325 -0.232 30 20 DBED C#CCN(CC(=O)O)CC(=O)N[C@H](C)C(=O)N1CCCCC1 1588419658 ACQRYJHSHDEUOO-GFCCVEGCSA-N 309.366 -0.477 30 20 DBED C=C(Cl)Cn1nnnc1N1CCO[C@](COC)(C(=O)O)C1 1588445121 BEBBFQFPXRCYBH-LLVKDONJSA-N 317.733 -0.268 30 20 DBED C=CCN(C)c1nnc(Cn2cnc(-c3nn[nH]n3)n2)n1CC 1588627589 AKEXHEAXTGVJPC-UHFFFAOYSA-N 315.345 -0.260 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)c2ccc(-c3nn[nH]n3)o2)CCO1 1592671263 BKSFGBDQJOSJHQ-SSDOTTSWSA-N 310.295 -0.627 30 20 DBED CN(C(=O)[C@H]1C[C@H]1C(=O)O)C1CCN(CC(=O)NCC#N)CC1 1597998262 JSXWKISYLILSCG-NWDGAFQWSA-N 322.365 -0.730 30 20 DBED N#Cc1ccc(C(=O)NCC2CN(C(=O)[C@H]3C[C@H]3C(=O)O)C2)[nH]1 1601092625 UZNMERRBWWOXOI-WDEREUQCSA-N 316.317 -0.205 30 20 DBED N#Cc1nc(=N[C@H]2C[C@@H](CNC(=O)[C@H]3C[C@H]3C(=O)O)C2)cc[nH]1 1601134048 FNWKPTWQOFIVQJ-ZRUFSTJUSA-N 315.333 -0.202 30 20 DBED CC1(Cn2cc(C(=O)NCCn3cnc(C#N)n3)nn2)COC1 1645784851 ZQPCYFSNHPWINE-UHFFFAOYSA-N 316.325 -0.792 30 20 DBED CCS(=O)(=O)C[C@@H](C)NC(=O)N1CC[C@](O)(CC#N)C1 1647236229 QHMJGRRDRKKZSD-ZYHUDNBSSA-N 303.384 -0.130 30 20 DBED C[C@H](C#N)C(=O)NCCCN1CCN([C@H]2CCNC2=O)CC1 1752341716 NPWLXMWJWPLRQU-OLZOCXBDSA-N 307.398 -0.842 30 20 DBED CC(C)C#CC(=O)NCCCN1CCN([C@@H](C)C(N)=O)CC1 1752344324 YYBFUQCXOAMHQR-AWEZNQCLSA-N 308.426 -0.357 30 20 DBED CNS(=O)(=O)CCC(=O)N1CCC[C@H](CN(C)CC#N)C1 1752508041 LBJKHCATVMEGMR-GFCCVEGCSA-N 316.427 -0.380 30 20 DBED N#CCNC(=O)CN[C@H]1C[C@H](NC(=O)[C@H]2C[C@@H]2C(F)F)C1 1752653187 MPTZIUYTCZNVCW-XKNYDFJKSA-N 300.309 -0.236 30 20 DBED N#CCNC(=O)CNC[C@H]1CCCN(C(=O)c2ccncn2)C1 1752809178 PPPGWTQUKZYWAM-GFCCVEGCSA-N 316.365 -0.442 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)[C@@H](C)OCC)[C@H]2C1 1752842918 CBHVYLZKZHZGLQ-MEBFFEOJSA-N 307.394 -0.404 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CCCN1CC(=O)N1CCC1 1753104005 WYOOYCCIXZSQJK-AWEZNQCLSA-N 307.394 -0.161 30 20 DBED COCC#CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)c1cn(C)c(O)n1 1754428334 LQAOWYLATUSCDH-WXHSDQCUSA-N 304.350 -0.422 30 20 DBED C#CCN[C@]1(CO)CCCN(C(=O)c2cc(OC)ncn2)C1 1755083602 UXVWSKNGKNDLJD-OAHLLOKOSA-N 304.350 -0.325 30 20 DBED C#CCNCC1(O)CCN(C(=O)c2nc(C)c(C)[nH]c2=O)CC1 1755151169 UNGDPTPNISALRF-UHFFFAOYSA-N 318.377 -0.423 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@@H](C)CNC(=O)Cc1n[nH]c(C)n1 1755299908 IPRGSMYFWYYFGC-WDEREUQCSA-N 320.397 -0.770 30 20 DBED C#CCNC(=O)CN(C)[C@H](C)CNC(=O)c1ccc(OC)nc1 1755308251 UIHVYTFYEINYDY-GFCCVEGCSA-N 318.377 -0.110 30 20 DBED CN(C[C@H](O)CNCC#N)C(=O)c1ccnc(N2CCCC2)n1 1755794563 SWAIAQUSTZAESD-GFCCVEGCSA-N 318.381 -0.377 30 20 DBED C#CCNC(=O)CNC[C@H](NC(=O)[C@@H]1CCOC1)C(C)(C)C 1755819292 AMIDVHKUVVGMAC-OLZOCXBDSA-N 309.410 -0.107 30 20 DBED C#CCNC(=O)CNC1CC(N(C)C(=O)c2cnns2)C1 1755853162 NSNRZNFXZMNHOC-UHFFFAOYSA-N 307.379 -0.520 30 20 DBED CCc1cc(C(=O)NC[C@@H](CO)NC(=O)C#CC(C)C)n[nH]1 1756503693 NDCBSKPJENHCRQ-LBPRGKRZSA-N 306.366 -0.162 30 20 DBED C#CCCCC(=O)N[C@H]1CCN(C(=O)Cn2cnnn2)[C@H]1C 1756553425 DTDRTOJOALIJLI-RYUDHWBXSA-N 304.354 -0.418 30 20 DBED CCN(C)CCC(=O)NC[C@@H](CO)NC(=O)C#CC(C)(C)C 1756567622 HEMSBYKLVRQVBV-ZDUSSCGKSA-N 311.426 -0.029 30 20 DBED C#CCOCCC(=O)N[C@@H]1C[C@@H](C)N(C(=O)CCNC(N)=O)C1 1756590156 NPIXIISGQMYPGD-VXGBXAGGSA-N 324.381 -0.810 30 20 DBED C=CCCC(=O)N1CCCO[C@H](CNC(=O)CNC(C)=O)C1 1756838691 YNVWMIFPUMMOIC-CYBMUJFWSA-N 311.382 -0.178 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(C(=O)c2cc(=O)n(C)o2)[C@@H]1C 1757503137 FFZPAGAOJHFZDK-MNOVXSKESA-N 323.349 -0.100 30 20 DBED C[C@H](CC(=O)O)NS(=O)(=O)CCOC1(C#N)CCOCC1 1776402329 VOGPZQKHOFCBKW-SNVBAGLBSA-N 320.367 -0.142 30 20 DBED C#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)CC(=O)NC)CCO2 1785421073 KEITVHJSSBFSCV-MRXNPFEDSA-N 321.377 -0.634 30 20 DBED C=CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncnn1C)C2 1800997539 GEWQFBCYOYQSQK-PTEHBNRSSA-N 319.365 -0.406 30 20 DBED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)C(=O)C2CC2)C1 1841306570 HBEQKGOFZSROBO-UHFFFAOYSA-N 304.302 -0.743 30 20 DBED N#CCC(=O)N1CCCC12CN(C(=O)c1cnc(O)nc1O)C2 1842622237 PFFYUQKKIHDUMU-UHFFFAOYSA-N 317.305 -0.382 30 20 DBED CC[C@@H](C)[C@@H](O)C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846194812 RPHNLIYTTJMTCJ-BXUZGUMPSA-N 322.361 -0.315 30 20 DBED N#Cc1ccnc(N2CCN(Cc3nc(N)nc(N)n3)CC2)c1 29446335 IFPYKGOGPBKRGN-UHFFFAOYSA-N 311.353 -0.375 30 20 DBED CCn1cc(CN(C)c2c(C#N)c(=O)n(C)c(=O)n2C)cn1 72948496 SDJGXJMBGBWWOX-UHFFFAOYSA-N 302.338 -0.192 30 20 DBED C[C@H](C(=O)N1CCCC1)N1CCN(CC(=O)NCC#N)CC1 88594538 KZUKLTDHLBJCIR-CYBMUJFWSA-N 307.398 -0.745 30 20 DBED C#CCSCCNC(=O)CN(C)[C@H]1CCS(=O)(=O)C1 156117916 GXUQGRTVFSHWJU-NSHDSACASA-N 304.437 -0.412 30 20 DBED CCNS(=O)(=O)CCNS(=O)(=O)c1ccccc1C#N 228538298 LSTORGTYBCIOBK-UHFFFAOYSA-N 317.392 -0.224 30 20 DBED C/N=C(/NC[C@@H]1CN2CCN1CC2)NC[C@@](C)(O)c1ccco1 261665306 GLWIVUDEXYNBGR-CZUORRHYSA-N 321.425 -0.348 30 20 DBED N#Cc1ccc(S(=O)(=O)NC[C@@H]2CC(C(N)=O)=NO2)cc1 275823325 BCSFHVCHUCRWNQ-VIFPVBQESA-N 308.319 -0.533 30 20 DBED C[C@@H](O)C(=O)N1CCN(S(=O)(=O)c2cccnc2C#N)CC1 277128786 JBRVOYHOZBGDJE-SNVBAGLBSA-N 324.362 -0.833 30 20 DBED CN1CN(/C(O)=N/[C@@H]2CC(=O)N(C)[C@H]2c2ccnn2C)CC1=O 329451164 LOZUAHUXXOTEMI-NOZJJQNGSA-N 320.353 -0.663 30 20 DBED C/C(O)=N/C1CN(/C(O)=N/C[C@@H]2CCN(S(C)(=O)=O)C2)C1 329820006 GJYGMRDIZVGLJN-JTQLQIEISA-N 318.399 -0.158 30 20 DBED CC1(C#N)CN(C(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)C1 330158912 QJTOJLDXSDLFAO-CYBMUJFWSA-N 320.393 -0.461 30 20 DBED C[C@@H](CCS(C)(=O)=O)NS(=O)(=O)N(C)[C@H](C)CC#N 332496363 GYNOINBONZHUHL-VHSXEESVSA-N 311.429 -0.122 30 20 DBED CC1(CO)CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 336882618 CBOSDDNWKBUJJA-NSHDSACASA-N 303.384 -0.450 30 20 DBED CCOC(=O)CN(C1CC1)S(=O)(=O)N1CCO[C@@H](C#N)C1 336919013 PTUXMRIAWXQTLV-NSHDSACASA-N 317.367 -0.517 30 20 DBED CCO[C@@H]1COCC[C@@H]1NS(=O)(=O)N1CCO[C@H](C#N)C1 336942206 KIKSOXSYHZTMPR-GRYCIOLGSA-N 319.383 -0.761 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CCS(=O)(=O)CC[C@@H]1C 337159519 RWPYVUPXEYODBE-NSHDSACASA-N 323.440 -0.024 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N[C@H]2CCC[C@@H]2CCO)CCO1 337192493 UCVNRCWMDUBIOW-UTUOFQBUSA-N 303.384 -0.404 30 20 DBED C[C@@H]1Oc2c(cccc2C(=O)NCC(=O)NCC#N)NC1=O 344244173 QOPRDQRCDCCPFA-QMMMGPOBSA-N 302.290 -0.224 30 20 DBED CCN1CCN(CCNS(=O)(=O)c2cncc(C#N)c2)CC1 352201892 VRLOGFKTKYCMIV-UHFFFAOYSA-N 323.422 -0.131 30 20 DBED N#CCNC(=O)CNC(=O)N1CCN(Cc2ccccn2)CC1 358306399 FEFDSCGYVIDNLR-UHFFFAOYSA-N 316.365 -0.451 30 20 DBED C=C[C@H](CO)NC(=O)NCCN1C(=O)NC2(CCCC2)C1=O 359144604 OSPDAJPILASVRU-SNVBAGLBSA-N 310.354 -0.303 30 20 DBED Cc1nn(CC(=O)NCCCN(C)S(C)(=O)=O)cc1C#N 359394398 QRAIMOSMHGAALV-UHFFFAOYSA-N 313.383 -0.539 30 20 DBED C#CCNC(=O)C1CCN(S(=O)(=O)c2cnn(C)c2)CC1 491103744 PWUGADRNRNRNRV-UHFFFAOYSA-N 310.379 -0.430 30 20 DBED C#CCN(C)C(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 491664275 SGXBGZVMNGJWHC-GFCCVEGCSA-N 317.411 -0.251 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C)[C@@H](C)[C@@H]2C)C1=O 540019458 YUDDOXBEKHQXEK-QWRGUYRKSA-N 322.365 -0.486 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)c2coc(COC)n2)CC1 547834452 YYRVRYDITNSMBC-UHFFFAOYSA-N 322.365 -0.119 30 20 DBED Cc1sc(C(=O)O)cc1S(=O)(=O)NCC(=O)NCC#N 567393573 LCVFAFKEVRXTCQ-UHFFFAOYSA-N 317.348 -0.327 30 20 DBED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@@H](N)C2)cc1 578071343 RHNUPWJXUWYPJZ-GFCCVEGCSA-N 322.390 -0.214 30 20 DBED N#Cc1cc(F)ccc1CS(=O)(=O)N[C@@H](CCO)C(=O)O 583816305 SLZHBPOPJGFCFI-NSHDSACASA-N 316.310 -0.048 30 20 DBED COC(=O)Cc1cccc(NC(=O)NCC(=O)NCC#N)n1 588286733 DNRMZMZCCVYIAS-UHFFFAOYSA-N 305.294 -0.442 30 20 DBED CN1CCC(CNc2cc(C#N)cnn2)(N2CCOCC2)CC1 596270465 NHSDCFNUEICBOP-UHFFFAOYSA-N 316.409 0.557 30 20 DBED CN1CCN(CC(=O)NCc2cccc(C#N)c2)[C@@H](CO)C1 602906575 XFAMITAOJXHZSB-OAHLLOKOSA-N 302.378 -0.217 30 20 DBED N#Cc1ccc(S(=O)(=O)NC2(C(N)=O)CCOCC2)cc1 610898574 MZVLEQNQPYDDLP-UHFFFAOYSA-N 309.347 -0.129 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN[C@H](C(C)C)C2)C1=O 621153798 ZVPGBFOGZXMEHF-NSHDSACASA-N 322.365 -0.580 30 20 DBED Cc1nc2ccccc2c(=O)n1CC(=O)OCC(=O)NCC#N 731240117 BSSGXEMHCBEXRO-UHFFFAOYSA-N 314.301 -0.112 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)c1cc(S(N)(=O)=O)oc1C 754143480 DLRCPNIJNFLNNF-QMMMGPOBSA-N 314.319 -0.470 30 20 DBED C#CCOCCC(=O)O[C@H](C)C(=O)N1CCC[C@H](C(N)=O)C1 756310558 XILKVZKMHSUNQB-NEPJUHHUSA-N 310.350 -0.318 30 20 DBED C#CCNC(=S)N1CCC(C(=O)N2CCN(C)CC2)CC1 758191833 MRKMVLFWNFGLOC-UHFFFAOYSA-N 308.451 -0.020 30 20 DBED Cn1cc(S(=O)(=O)NN=C2CCCCC2)c(=O)n(C)c1=O 771891038 RFVFVJJTUKKAQB-UHFFFAOYSA-N 314.367 -0.318 30 20 DBED C=CCS(=O)(=O)CCNC(=O)NCCS(=O)(=O)CC 783001758 KOEUMABDVAWJIY-UHFFFAOYSA-N 312.413 -0.679 30 20 DBED C#CCC[C@@H](O)CNS(=O)(=O)c1c[nH]c(C(=O)OC)c1 798487693 WVMOUCOGDBZJTM-SECBINFHSA-N 300.336 -0.146 30 20 DBED C=CCS(=O)(=O)CCNC(=O)[C@H](OC)c1cnn(C)c1 798494952 ODLKLUJFEQFCGU-LLVKDONJSA-N 301.368 -0.175 30 20 DBED C#CCOCCNC(=O)N1CCC[C@@H]1C[C@@]1(C)NC(=O)NC1=O 807107061 XTTZAAPHKCHKOZ-IAQYHMDHSA-N 322.365 -0.202 30 20 DBED N#Cc1cc(S(N)(=O)=O)ccc1NC[C@H]1CC(C(N)=O)=NO1 808042807 BZOXOLVZKLAVTG-MRVPVSSYSA-N 323.334 -0.752 30 20 DBED C#CCNS(=O)(=O)N1CCN(Cc2cncc(OC)c2)CC1 808741421 FSDFCTADDAYHBX-UHFFFAOYSA-N 324.406 -0.325 30 20 DBED CN(CCCN)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 818522225 BDOXIEHNFMHPCE-UHFFFAOYSA-N 310.379 -0.468 30 20 DBED C[C@](C#N)(CC(=O)O)C(=O)OCCN1CCCS1(=O)=O 819866396 WNTAYVUYERMCNQ-LLVKDONJSA-N 304.324 -0.430 30 20 DBED COC(=O)c1cn(C2CN(C(=O)[C@](C)(C#N)CC(=O)O)C2)nn1 820689616 XKCWOODFAWYPGZ-ZDUSSCGKSA-N 321.293 -0.547 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N[C@@H]1CCn2ccnc2C1 829278969 HMVUVMWYNXMJEV-CYBMUJFWSA-N 318.377 -0.188 30 20 DBED CCONC(=O)CNC(=O)C(=O)Nc1ccc(C#N)cc1OC 846132949 HXCVCSWICVRLEQ-UHFFFAOYSA-N 320.305 -0.311 30 20 DBED CC/N=C(/NCC)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 848994647 SWIAWDBQDFIHLB-JTQLQIEISA-N 304.416 -0.745 30 20 DBED CN(CC(C)(C)N)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 852842508 WXRWDDPXTLHLTH-UHFFFAOYSA-N 324.406 -0.079 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N[C@@H](C)Cn1cccn1 875060557 PBAIKTJIFZUJLO-QWHCGFSZSA-N 306.366 -0.068 30 20 DBED C#CC1(O)CN(C(=O)c2cccc([C@]3(C)NC(=O)NC3=O)c2)C1 890522185 IDYJNDYZJRDFGX-HNNXBMFYSA-N 313.313 -0.439 30 20 DBED C=CCNC(=O)[C@@H](C)OC(=O)CCN1CCCS1(=O)=O 919440237 FPKWKWGXEPHPOE-SNVBAGLBSA-N 304.368 -0.354 30 20 DBED C#CCN1CCN(C(=O)CN2CCCNC(=O)[C@H]2CC)CC1 933221264 DODAVEPBQYZQDE-CQSZACIVSA-N 306.410 -0.636 30 20 DBED C=CCn1cc(C(=O)N(C)[C@H]2CCN(C(=O)CC(N)=O)C2)nn1 936965366 HEKXTEOQJZCJLD-JTQLQIEISA-N 320.353 -0.988 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H]2CCOC2)C1 938170267 FUNAGMWUBIVYAX-KKUMJFAQSA-N 319.405 -0.162 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[C@H]3CCNC3=O)C2)[nH]1 938406487 GYDVJGXJFWAOOP-QWRGUYRKSA-N 315.333 -0.647 30 20 DBED CC#CCN1CC[C@H](NC(=O)CN2CC(=O)N(C)C2=O)[C@H](C)C1 944137159 ZACIHCIAAPUCOY-OLZOCXBDSA-N 320.393 -0.270 30 20 DBED N#Cc1ccccc1CN1CCN(C(=O)[C@H]2CNC(=O)N2)CC1 949953120 BJNTVOUXOBFIID-CQSZACIVSA-N 313.361 -0.116 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]1CNC(=O)c1cc(C(N)=O)co1 952132697 UQKAQIRQLPOMBE-SCZZXKLOSA-N 304.306 -0.131 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(N(C)C(=O)Cn2cnnc2O)CC1 953883460 NFYVVBJUTJGAMB-JTQLQIEISA-N 320.353 -0.407 30 20 DBED CCn1nc(C(=O)N(C)C2CN(C(=O)[C@@H](C)C#N)C2)ccc1=O 955015355 PPSUNWOIZHKKET-JTQLQIEISA-N 317.349 -0.294 30 20 DBED C=CCN1CC(N(CC)C(=O)c2cc(=O)n3[nH]cnc3n2)C1 957134485 PRJADMUJYGREIH-UHFFFAOYSA-N 302.338 -0.250 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@](C)(NC(=O)c2nnc(O)nc2O)C1 957235988 QEFQQNAUHQNYMB-UHLUBPPHSA-N 320.309 -0.837 30 20 DBED C#CCCN1C[C@@H](O)[C@@H](CNC(=O)c2cn(C)nc2OC)C1 958309311 JTUVSDTUMIQTSO-WCQYABFASA-N 306.366 -0.526 30 20 DBED C=C(Cl)CN1C[C@H]2[C@H](NC(=O)C3CS(=O)(=O)C3)[C@H]2C1 960064553 GQUHQFFAJNLJRR-URLYPYJESA-N 304.799 -0.170 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)CC1(O)CCC1 960353064 AWQHRLMCFDNCPR-RWMBFGLXSA-N 321.377 -0.111 30 20 DBED O=C1NC[C@H](C(=O)N[C@H]2CCCN(C(=O)C#CC3CC3)CC2)N1 965142144 LYERTCXQRPEPTH-QWHCGFSZSA-N 318.377 -0.422 30 20 DBED CN([C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1)[C@@H]1CCNC1=O 971289257 QSQWJFMYFAGVNT-DGCLKSJQSA-N 301.350 -0.079 30 20 DBED O=C1CC[C@H](C(=O)N2CC[C@@H]3CN(C(=O)C#CC4CC4)[C@@H]3C2)N1 972075176 GMBMNSHWBOTYRI-MGPQQGTHSA-N 315.373 -0.262 30 20 DBED O=C(CN1CCOCC1)N[C@H]1[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]21 976390951 JFMAFNLVVZHMRH-HALDLXJZSA-N 317.389 -0.695 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2[C@@H]3CN(CCCO)C[C@H]23)nn1 978823344 ZKIQUEGBYQTKST-XYYAHUGASA-N 305.382 -0.246 30 20 DBED Cn1c(=O)ccn(CC(=O)N[C@H]2CCC[C@H](NCC#N)C2)c1=O 981124693 LQDZVMJILPAQDK-RYUDHWBXSA-N 319.365 -0.912 30 20 DBED N#Cc1cc(C(=O)N2CC(NC(=O)c3cnsn3)C2)c[nH]1 990333972 USYWRTGPGZRABF-UHFFFAOYSA-N 302.319 -0.008 30 20 DBED CN1CC[C@@H](C(=O)N2CC(NC(=O)c3c[nH]c(C#N)c3)C2)C1=O 990928907 ZYUOCVJSOVLENL-GFCCVEGCSA-N 315.333 -0.695 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@H](NC(=O)C3CC3)[C@@H](O)C2)c1 991195697 VUZYXRICDIFLMG-AAEUAGOBSA-N 302.334 -0.012 30 20 DBED C#CCN1CCC(C(=O)N2C[C@@H](NCC(N)=O)C(C)(C)C2)CC1 996665394 BUCLSYGQXJKZDJ-CQSZACIVSA-N 320.437 -0.357 30 20 DBED C#Cc1cncc(C(=O)N2CC(NC(=O)Cn3cncn3)C2)c1 1000116225 SZYYZPIMRPMTEF-UHFFFAOYSA-N 310.317 -0.705 30 20 DBED C[C@@H]1C[C@H](CNC(=O)c2nnn(C)n2)CN1C(=O)C#CC1CC1 1010157086 FVGVVPXHPDPQOI-ZYHUDNBSSA-N 316.365 -0.410 30 20 DBED C#CCN1CCC2(CC1)C[C@H]2NC(=O)CN1CCNC(=O)C1 1016760703 CEBJSHLKJCYDDS-CYBMUJFWSA-N 304.394 -0.978 30 20 DBED C[C@H]1[C@@H](NC(=O)c2cc(=O)n(C)o2)CCN1C(=O)[C@H](C)C#N 1020535272 DZOMPQJYHRQGNV-UTLUCORTSA-N 306.322 -0.143 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CCN(C(=O)CCn3ccnn3)[C@@H]2C1 1021469792 WXSRMVKYLFULQS-FRRDWIJNSA-N 316.365 -0.113 30 20 DBED N#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)CN2CC(=O)NC2=O)C1 1021687345 HSCZNKRCDIAGNQ-NWDGAFQWSA-N 319.365 -0.625 30 20 DBED CSCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 1023455186 NLFFLURRXXAZAP-GHMZBOCLSA-N 308.363 -0.449 30 20 DBED CO[C@H]1C[C@H](C(=O)NC[C@H]2CCCN(CC#N)C2)N(C(C)=O)C1 1023507999 FWNYXRPTCURGHZ-QLFBSQMISA-N 322.409 -0.026 30 20 DBED C=CCCN1CCC[C@@H](CNC(=O)c2cn(CC(N)=O)nn2)C1 1023763345 JVZCCGMJVLTLJF-LBPRGKRZSA-N 320.397 -0.219 30 20 DBED CCc1cnc(CC(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2O)[nH]1 1024366828 MQCVZYPCWZHSDG-MVWJERBFSA-N 319.365 -0.638 30 20 DBED C=C(Br)CN1CC(NC(=O)Cn2cnnc2O)C1 1030238001 SSKZLCNIMVYBOV-UHFFFAOYSA-N 316.159 -0.307 30 20 DBED C=CCn1cc(C(=O)NCC2CN([C@@H](C)C(=O)N(C)C)C2)nn1 1032034694 AVHKMHCMCSYJJP-NSHDSACASA-N 320.397 -0.398 30 20 DBED C#CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCc2nnnn2CC1 1032639815 RVKNCHXYZBYKIL-AVGNSLFASA-N 300.366 -0.456 30 20 DBED C=C(C)CN1CC[C@@H](N(C)C(=O)CN2CC(=O)N(C)C2=O)C1 1033576699 JYQQTFKKABZWNE-GFCCVEGCSA-N 308.382 -0.011 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CN(CCCO)CCO1 1035400722 RLRCBDLOMQSNNL-CABCVRRESA-N 309.410 -0.717 30 20 DBED N#CCN1CCO[C@@H](CNC(=O)c2cccc(C(N)=O)c2)C1 1035419702 JIDPQAUCECYGMS-ZDUSSCGKSA-N 302.334 -0.260 30 20 DBED Cn1nnc2c1C[C@H](C(=O)NC[C@H]1CN(CC#N)CCO1)CC2 1035492487 XVVXGUYJRVFPLS-NEPJUHHUSA-N 318.381 -0.739 30 20 DBED C#Cc1cncc(C(=O)NC[C@H]2CN(CCCO)CCO2)c1 1035506087 QQQYSGDHSQQOME-HNNXBMFYSA-N 303.362 -0.124 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CN(Cc2cnon2)CCO1 1035510516 LGKXNWPPIIOBNR-MJBXVCDLSA-N 322.365 -0.022 30 20 DBED N#CCN1CCO[C@@H](CNC(=O)[C@@H]2CCCS(=O)(=O)C2)C1 1035532521 YOHZQDNGDVTYCS-NEPJUHHUSA-N 315.395 -0.848 30 20 DBED C#CCN1CCC(C(=O)NC[C@H]2CN(CC#N)CCO2)CC1 1035613422 HZKFOTFJKDLJAD-HNNXBMFYSA-N 304.394 -0.328 30 20 DBED C#CCN[C@H]1CCN(C(=O)CCn2ncn(C)c2=O)C[C@@H]1C 1036115154 KTAUWJQAFYYWOK-STQMWFEESA-N 305.382 -0.568 30 20 DBED C=CCN[C@@H]1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)C[C@@H]1C 1036216672 DOUNJCBTOUSRCO-QWHCGFSZSA-N 320.393 -0.061 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@H]3[C@@H](CCN3CC(N)=O)C2)[nH]1 1036691187 LVLRKHZOMTYAJG-GWCFXTLKSA-N 301.350 -0.092 30 20 DBED CN1CC(=O)N(CC(=O)N2CC[C@@H]3[C@@H](CCN3CC#N)C2)C1=O 1036887996 BABKFBUPQQFSHM-NWDGAFQWSA-N 319.365 -0.673 30 20 DBED CC[C@H]1CN(C(=O)CN2CC(=O)NC2=O)CC[C@H]1NCC#N 1037940631 MNAZJDWXQLYQBU-WDEREUQCSA-N 307.354 -0.722 30 20 DBED CC(=O)N1CCC(=O)NCCN(c2nccnc2C#N)CC1 1039660837 MXZRVWNDFPNYFW-UHFFFAOYSA-N 302.338 -0.477 30 20 DBED C=CCCOCC(=O)N1CC[C@](O)(CNC(=O)c2ncc[nH]2)C1 1039661720 DFVGUFUQJDMAPI-HNNXBMFYSA-N 322.365 -0.304 30 20 DBED Cc1nccc(C(=O)NC[C@]2(O)CCN(C(=O)[C@H](C)C#N)C2)n1 1039778648 CYOWDXOURYOTGX-MEBBXXQBSA-N 317.349 -0.362 30 20 DBED C=CC(C)(C)CC(=O)NC[C@@]1(O)CCN(C(=O)CC(N)=O)C1 1039821171 DVQMSEHRTHSFJL-HNNXBMFYSA-N 311.382 -0.456 30 20 DBED C=CCCO[C@H](C)C(=O)N1CC(O)(CNC(=O)c2ccon2)C1 1041698529 BWEVCRYXIYRKMN-LLVKDONJSA-N 323.349 -0.041 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)[C@@H](C2CC2)N(C)C)C1 1042801903 YBEMXBLOSIUUFF-OAHLLOKOSA-N 321.421 -0.180 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(O)CN(C(=O)c2ccoc2)C1 1042809594 OJVNBQRMNWEPBP-CQSZACIVSA-N 308.334 -0.090 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)[C@@H]2CO[C@H](C)C2)C1 1042940665 DTBQKXGUWRDVTP-OLZOCXBDSA-N 308.378 -0.240 30 20 DBED N#Cc1nccnc1N1C[C@H](O)[C@H](NC(=O)c2cocn2)C1 1043874582 NTIOBSPHWKXXEM-KOLCDFICSA-N 300.278 -0.684 30 20 DBED CN1CC[C@H](C(=O)N2CCN([C@@H]3CCN(CC#N)C3)CC2)C1 1046082920 YCJRNGFMDHNSTE-LSDHHAIUSA-N 305.426 -0.320 30 20 DBED N#Cc1cncc(N[C@H]2C[C@@H](CNC(=O)[C@H]3C[C@H]3C(N)=O)C2)n1 1046593028 FYYXQQYVYYWDLS-DMWPJOQESA-N 314.349 -0.224 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CCS(=O)(=O)C2)C1 1047447018 IGOGAHDUFPUYAT-AVGNSLFASA-N 316.423 -0.499 30 20 DBED CN(C(=O)c1ccc2nc(O)[nH]c2c1)[C@H]1CN(CC#N)C[C@@H]1O 1047548359 AVXNYFRANZXOKY-STQMWFEESA-N 315.333 -0.091 30 20 DBED C#CCCCC(=O)N(C)[C@H]1CN(C(=O)c2[nH]nnc2C)C[C@@H]1O 1048757463 FMRVCYUPFRGIRR-RYUDHWBXSA-N 319.365 -0.440 30 20 DBED CC#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)CN1C(=O)CNC1=O 1049885434 NGILLZXFQOGFEN-STQMWFEESA-N 318.377 -0.373 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H](CNCc2ccn(C)c(=O)c2)C1 1051494505 IWIAZRIGGMXBOC-OCCSQVGLSA-N 318.377 -0.138 30 20 DBED C[C@H]1CN(C(=O)CCNC(N)=O)C[C@@H]1CNC(=O)C#CC1CC1 1052574186 YWSHEQRGYMYJKA-AAEUAGOBSA-N 320.393 -0.331 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCCN([C@@H](C)C(N)=O)CC2)nn1 1052774847 LKBNKZONGKNDMK-RYUDHWBXSA-N 320.397 -0.078 30 20 DBED Cc1noc(CCC(=O)N2CCOC3(CN(CC#N)C3)C2)n1 1053365296 QXQQLLMSMNOTRU-UHFFFAOYSA-N 305.338 -0.253 30 20 DBED CNC(=O)CN1CC2(C[C@H](NC(=O)c3c[nH]c(C#N)c3)CO2)C1 1053780986 YQPXEOZHOSZWBS-LBPRGKRZSA-N 317.349 -0.795 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)[C@]3(C)CCC(=O)N3)CO2)C1 1053917153 BKIBPQLSTCCYAQ-WFASDCNBSA-N 305.378 -0.362 30 20 DBED N#Cc1nccc(N2CCN(C(=O)CCc3nc[nH]n3)CC2)n1 1055764005 SEGWXOKKYMGQLB-UHFFFAOYSA-N 312.337 -0.252 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@](CO)(NC(=O)c2cncnc2)C1 1055899477 WQKVUWYFQIAXBM-NHYWBVRUSA-N 317.349 -0.280 30 20 DBED CN1C[C@H](C(=O)N2CCN(c3nccnc3C#N)CC2)NC1=O 1055974413 DSZOTZQTPDRPGI-LLVKDONJSA-N 315.337 -0.980 30 20 DBED N#Cc1ccc(N2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)nn1 1056023941 HLKAGCSRXSVCRY-MNOVXSKESA-N 300.322 -0.882 30 20 DBED CC(C)N(C)CC(=O)N1CCC[C@@](CO)(NC(=O)[C@H](C)C#N)C1 1056095776 DJBDBUCWMXAILQ-CZUORRHYSA-N 324.425 -0.044 30 20 DBED N#Cc1ccc(N2C[C@@H]3C(NC(=O)Cn4cncn4)[C@H]3C2)nn1 1056215331 DEQSCSKYXKVEAP-QWRGUYRKSA-N 310.321 -0.809 30 20 DBED CN(c1ncccc1C#N)[C@H]1CCN(C(=O)c2nnn(C)n2)C1 1057001968 GXVXKONVHBUNOH-NSHDSACASA-N 312.337 -0.172 30 20 DBED C#CCOCCC(=O)NCCN(CCO)C(=O)C[C@@H](C)OC 1057166621 ZDPRGWYYXRPVIH-CYBMUJFWSA-N 314.382 -0.612 30 20 DBED C=CC(C)(C)C(=O)NCCN(CCO)C(=O)CCNC(N)=O 1057554189 KTDPYJAFYPDHAJ-UHFFFAOYSA-N 314.386 -0.806 30 20 DBED N#Cc1cncc(N2CCC[C@H](NC(=O)[C@H]3COC(=O)N3)C2)n1 1058152292 PKTQXBDPKLNGAW-GXSJLCMTSA-N 316.321 -0.458 30 20 DBED N#Cc1nccnc1N1CC[C@@H](NC(=O)Cn2cnnc2O)C1 1058320588 GOCCIKMGXANTME-SECBINFHSA-N 314.309 -0.960 30 20 DBED N#Cc1cncc(N2CC[C@@H](NC(=O)[C@H]3CCC(=O)NC3)C2)n1 1058594072 HQODIHVPBZROMX-WDEREUQCSA-N 314.349 -0.431 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)CCCn1ccnn1 1058656597 GZNNEHYSYVXMGV-LBPRGKRZSA-N 322.369 -0.845 30 20 DBED N#Cc1cnc(N[C@H]2CCN(C(=O)[C@@H]3CCNC(=O)C3)C2)cn1 1058872627 XKDVFXVLGVIWAE-MNOVXSKESA-N 314.349 -0.113 30 20 DBED C=CCOCC(=O)NCC[C@H]1CCN(C(=O)c2cnn(C)n2)C1 1059930344 JIASOSVGSFUAMP-LBPRGKRZSA-N 321.381 -0.014 30 20 DBED CS(=O)(=O)CC(=O)N1CC[C@H](CN=c2cc[nH]c(C#N)n2)C1 1060826202 UHAUUGRRGQNMPL-SNVBAGLBSA-N 323.378 -0.925 30 20 DBED C#CCNC(=O)CC(=O)N1CC2(CCN(C(=O)CC)CC2)C1 1060975939 DJLUXMYRYOSDDY-UHFFFAOYSA-N 305.378 -0.013 30 20 DBED C#CCOCCC(=O)NC[C@H]1COCCN1C(=O)c1cocn1 1061581006 JNBYRAHRRZUODF-LBPRGKRZSA-N 321.333 -0.328 30 20 DBED C=CC(C)(C)C(=O)NC[C@H]1COCCN1C(=O)[C@H]1CCC(=O)N1 1061753565 OFIRLSKALWTTHS-NWDGAFQWSA-N 323.393 -0.179 30 20 DBED Cc1cncn1CC(=O)N1CCOC[C@H]1CNC(=O)[C@H](C)C#N 1061852543 JNISNTTULMMWOI-DGCLKSJQSA-N 319.365 -0.305 30 20 DBED C=CCC1(C(=O)NCC2(NC(=O)C(N)=O)CCC2)CCOCC1 1063973446 BXWYDACJUKOZES-UHFFFAOYSA-N 323.393 0.000 30 20 DBED N#Cc1nccnc1N1CC[C@@H]2CN(C(=O)C(N)=O)CC[C@@H]21 1064032495 AIXNIBBAMMGMBY-KOLCDFICSA-N 300.322 -0.739 30 20 DBED C=CCCC(=O)N1CCO[C@@H](CNC(=O)CS(C)(=O)=O)C1 1064955838 MCLGOUZZWBDPQN-NSHDSACASA-N 318.395 -0.659 30 20 DBED C=CCCC(=O)N1CCO[C@H](CNC(=O)[C@H]2CN(C)C(=O)N2)C1 1064959022 FNWREXXJTOFNGM-VXGBXAGGSA-N 324.381 -0.680 30 20 DBED C#CCCCCC(=O)N1CCO[C@@H](CNC(=O)CNC(N)=O)C1 1065060688 BGBOKWPZIFOPSG-LBPRGKRZSA-N 324.381 -0.808 30 20 DBED C=CCCCC(=O)NC[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)CCO1 1065627247 PVLXBMUXKXVVNU-UPJWGTAASA-N 323.393 -0.192 30 20 DBED N#Cc1c(F)cccc1NC[C@H]1CN(C(=O)C(N)=O)CCO1 1066668601 GRTTXYLAULQTIG-VIFPVBQESA-N 306.297 -0.178 30 20 DBED CNC(=O)C1(C(=O)N(C)CCCN(C)C(=O)[C@@H](C)C#N)CC1 1067774088 LQLREIJRTSNJCO-NSHDSACASA-N 308.382 -0.021 30 20 DBED C=CCCC(=O)N1CCOC2(C1)CN(C(=O)CC(=O)N(C)C)C2 1068348620 VOVXQTQWUIAZMA-UHFFFAOYSA-N 323.393 -0.129 30 20 DBED C=C[C@H](CC)CC(=O)N1CC2(C1)CN(C(=O)C(N)=O)CCO2 1068448281 JIDCUFAQXXWZAY-LLVKDONJSA-N 309.366 -0.486 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(C[C@H](NC(=O)CC(=O)N(C)C)CO2)C1 1068873965 INXBLPWTSCWDIP-QWRGUYRKSA-N 322.365 -0.890 30 20 DBED C=CCCC(=O)N1CC2(C[C@@H](NC(=O)[C@H]3CCNC3=O)CO2)C1 1068944182 AGAONRAHMMCGRU-NEPJUHHUSA-N 321.377 -0.425 30 20 DBED C=CCCC1(C(=O)N[C@H]2COC3(C2)CN(C(=O)C(N)=O)C3)CC1 1069018761 XYUZPMKMYGRFKF-LLVKDONJSA-N 321.377 -0.296 30 20 DBED CCC1(NC(=O)c2c[nH]c(C#N)c2)CCN(C(=O)C(N)=O)CC1 1069578215 MWWLJXRKXYLKLU-UHFFFAOYSA-N 317.349 -0.127 30 20 DBED C#CCN1CCn2ncc(CNC(=O)[C@H]3OCCO[C@H]3C)c2C1 1069863475 SJXMRECYAHVBQU-WFASDCNBSA-N 318.377 -0.248 30 20 DBED C#CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2cnco2)C1 1069991767 YJZQKFYRIOKXOC-NEPJUHHUSA-N 300.322 -0.055 30 20 DBED Cc1ncc(C(=O)N2CCC(=O)NCCN(CC#N)CC2)[nH]1 1070947076 HYMURIDPZFYNNT-UHFFFAOYSA-N 304.354 -0.494 30 20 DBED C=CCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)Cn2ncn(C)c2=O)C1 1071784531 GALZFZUGTKYXIU-NEPJUHHUSA-N 321.381 -0.489 30 20 DBED C=CCOCC(=O)N1C[C@H](C)[C@H](NC(=O)C2(NC(N)=O)CC2)C1 1071809310 SKXLIBDFBBNDHB-WDEREUQCSA-N 324.381 -0.647 30 20 DBED C=CCCOCC(=O)N[C@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1C 1072017795 KWTCKJOSTXKPOT-NEPJUHHUSA-N 321.381 -0.016 30 20 DBED C[C@H]1CN(C(=O)Cn2cncn2)C[C@@H]1NC(=O)CSCC#N 1072773295 QLVQAIBADLVQPZ-QWRGUYRKSA-N 322.394 -0.502 30 20 DBED C#CCCN1CCCO[C@H](CNC(=O)[C@@H]2CN(C)CCO2)C1 1073564021 PCYPRJFQHDAIRS-CABCVRRESA-N 309.410 -0.453 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)c3ccc(C(N)=O)o3)C[C@H]21 1074291683 JAUVQEZZMNPPKS-VXGBXAGGSA-N 317.345 -0.073 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CCN(C(=O)[C@@H]2[C@H]3COC[C@H]32)CC1 1074681224 QYSMOYUTWMUQOI-NDBYEHHHSA-N 321.377 -0.492 30 20 DBED CC(C)C#CC(=O)N[C@@H](C)CCNC(=O)[C@@H]1CN(C)CCO1 1076027058 DVKUKCFINVNGRX-KBPBESRZSA-N 309.410 -0.013 30 20 DBED Cn1nnc2c1C[C@H](C(=O)N1CC[C@H]3CN(CC#N)C[C@H]31)CC2 1076181463 YJVYAOXQBOPUCP-TYNCELHUSA-N 314.393 -0.024 30 20 DBED CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@H]3CN(CC#N)C[C@H]32)O1 1076237845 BORQRMCYIJYBPX-RFQIPJPRSA-N 320.393 -0.322 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC(=O)Nc3ccccc32)C1 1077478615 JVSBXNFUABKJHF-BPLDGKMQSA-N 313.357 -0.093 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)c2ccn3nnnc3c2)C1 1077503840 HPLQLQOAOPFROT-GHMZBOCLSA-N 322.756 -0.348 30 20 DBED C=CC(C)(C)C(=O)NCC[C@H](C)NC(=O)CN1CC(=O)NC1=O 1077739977 RNDVUVSNVFNJGJ-JTQLQIEISA-N 324.381 -0.239 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2c(F)cccc2NC(N)=O)C1 1077754430 AEOZCLNAGVFXOR-VXGBXAGGSA-N 320.324 -0.276 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3nn[nH]c3C2)C1 1077999724 WYEYRBSMNSZVJR-ZLKJLUDKSA-N 303.366 -0.906 30 20 DBED C=CCCC(=O)N[C@@H](C)CCNC(=O)CN1C(=O)CNC1=O 1078580088 XISIXEDNBREHFU-JTQLQIEISA-N 310.354 -0.485 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(CCCCCNC(=O)C(N)=O)CC1 1079164720 PAIAFIDVIYVOTM-LBPRGKRZSA-N 323.397 -0.938 30 20 DBED CCN(C(=O)c1nnn(C)n1)C1CN(C(=O)C#CC(C)C)C1 1080271111 KACDNEMVYQRMKS-UHFFFAOYSA-N 304.354 -0.458 30 20 DBED C=CCCOCC(=O)N1CC(N(CC)C(=O)c2nnn(C)n2)C1 1080272512 HSPJGJNDXVWIJA-UHFFFAOYSA-N 322.369 -0.524 30 20 DBED C=CCO[C@H](C)C(=O)N1CC(N(CC)C(=O)Cn2cncn2)C1 1080587112 XDEJXVIBHCWCHG-GFCCVEGCSA-N 321.381 -0.072 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2ocnc2C)C[C@@H]1O 1081347592 XWHIIAYVTFNIRZ-RYUDHWBXSA-N 323.349 -0.265 30 20 DBED CC(C)OCC(=O)N1C[C@@H](O)[C@H](CNC(=O)C#CC2CC2)C1 1081472385 XUPMTVMSRLANQD-ZIAGYGMSSA-N 308.378 -0.240 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2ncccn2)C1 1081686908 BRTKJMLPQARAJP-NEPJUHHUSA-N 304.350 -0.008 30 20 DBED C#CCCN1C[C@@H](NC(=O)[C@]2(C)CCNC(=O)C2)[C@H](OC)C1 1081849463 VKTMKXANEZPNCE-XJKCOSOUSA-N 307.394 -0.259 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cn(C)nc1COC 1083125003 ZRLAHHZTZYDOEV-LSDHHAIUSA-N 318.377 -0.275 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCCCC[C@@H](NCC(N)=O)C1 1088329287 RZLFSEULMYNSNL-CABCVRRESA-N 320.437 -0.070 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CC[C@H](C)N(c2ccc(C#N)nn2)C1 1089115517 HWDFJFSUYNDSHE-GXFFZTMASA-N 316.365 -0.042 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2cccn3nnnc23)[C@H](O)C1 1090295536 ONPMIFKMWFTDID-QWHCGFSZSA-N 314.349 -0.687 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2cc(OC)n(C)n2)[C@@H](O)C1 1090422438 KWAIXHDFHZGYEJ-AAEUAGOBSA-N 306.366 -0.383 30 20 DBED C#CCN1CCC(C(=O)N[C@@H]2CCN(CC#CC)C[C@@H]2O)CC1 1090830018 HSMYYVQIDHXPRF-SJORKVTESA-N 317.433 -0.094 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)c3cc[n+]([O-])cc3)c3nccn32)C1 1092343186 CXDOYRIRXOGTLC-CYBMUJFWSA-N 324.344 -0.074 30 20 DBED CN(C)C(=O)CC(=O)N[C@H]1[C@@H]2CN(c3cncc(C#N)n3)C[C@@H]21 1093358869 WGTQHZVZBDFRHW-HBYGRHMLSA-N 314.349 -0.623 30 20 DBED N#Cc1nccnc1N1CC[C@H](NC(=O)C(=O)NCC2CC2)C1 1096417293 INNPLHSTEJPESP-NSHDSACASA-N 314.349 -0.431 30 20 DBED CCc1nc(C#N)cc(N2CCCC[C@H]2CNC(=O)C(N)=O)n1 1097457356 CSIJTDBMEUPLLI-NSHDSACASA-N 316.365 -0.129 30 20 DBED C#CCCN(CCO)C1CCN(C(=O)C2CN(C(C)=O)C2)CC1 1098357137 XHLFWCBOXSTESD-UHFFFAOYSA-N 321.421 -0.227 30 20 DBED C=CCN(CCO)C1CCN(C(=O)C[C@@H]2CCNC2=O)CC1 1098390844 YYSYLDXVNQKRCW-ZDUSSCGKSA-N 309.410 -0.016 30 20 DBED C[C@H](CNC(=O)[C@]1(C)CCNC(=O)C1)N=c1cc[nH]c(C#N)n1 1098395308 NBMXUXDUWGELQU-MEBBXXQBSA-N 316.365 -0.397 30 20 DBED C#CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cn(C)c(=O)cn2)C1 1098951103 SMUBPUOXFMATLZ-LRDDRELGSA-N 300.362 -0.002 30 20 DBED C[C@H](CCNC(=O)Cn1nccn1)N=c1cc[nH]c(C#N)n1 1099536468 KXEGQZZECPFCAX-SNVBAGLBSA-N 300.326 -0.631 30 20 DBED C=C(Cl)CN1CC[C@H](NC(=O)CCn2ccnn2)[C@@H](O)C1 1099795210 ZICOUANPGYZYOW-RYUDHWBXSA-N 313.789 -0.028 30 20 DBED C#CCCCC(=O)N[C@@H]1CCN(CC(=O)N(C)CC)C[C@@H]1O 1099806847 HDVWMBLXDRSADV-KGLIPLIRSA-N 309.410 -0.180 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)C(C)(C)C=C)[C@H](O)C1 1099944262 LCFKXVDMKXWTAG-CHWSQXEVSA-N 307.394 -0.501 30 20 DBED COCC(=O)N[C@@H](C)C(=O)NCCN(C)c1ncccc1C#N 1100378240 ISBHOLLEQVMYFA-NSHDSACASA-N 319.365 -0.343 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)c2nccs2)C1 1100778677 FKQFPXQDHKXUBT-UHFFFAOYSA-N 306.391 -0.010 30 20 DBED N#Cc1nccnc1N(CCNC(=O)Cn1ncnn1)C1CC1 1101391058 FINJHXXSZZJCPB-UHFFFAOYSA-N 313.325 -0.880 30 20 DBED C=CCN1CC2(C[C@H](NC(=O)CNC(N)=O)c3nccn32)C1 1101607783 YEZBUNDUKYACSI-JTQLQIEISA-N 304.354 -0.691 30 20 DBED CCn1cc(C(=O)N(C)CCN=c2cc[nH]c(C#N)n2)nn1 1101747681 BDVXCMVSBBWTMV-UHFFFAOYSA-N 300.326 -0.434 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CN(CCS(C)(=O)=O)C[C@H]1C 1101823821 MTYROISFQYKSRP-QJPTWQEYSA-N 301.412 -0.125 30 20 DBED CN(C(=O)CNC(N)=O)[C@H]1CCN(c2nccnc2C#N)C1 1102668847 VIFMMPCEHXBXBE-VIFPVBQESA-N 303.326 -0.946 30 20 DBED CC[C@@H](CNC(=O)[C@H]1CC(=O)N(C)C1)N=c1cc[nH]c(C#N)n1 1103353191 WRNWDPONTKUSJJ-QWRGUYRKSA-N 316.365 -0.445 30 20 DBED C[C@H](CNC(=O)Cc1nc[nH]n1)CNc1ccc(C#N)nn1 1104075231 JWBRDKQOWCHKRT-VIFPVBQESA-N 300.326 -0.127 30 20 DBED C[C@H](CNC(=O)c1nnn(C)n1)CNc1ccc(C#N)nc1 1104181458 BXZSUWQKEYSERC-VIFPVBQESA-N 300.326 -0.045 30 20 DBED Cc1c(C(=O)NC[C@H](O)CN=c2cc[nH]cc2C#N)cnn1C 1105751354 GFKOGSICAYQEBP-GFCCVEGCSA-N 314.349 -0.380 30 20 DBED N#Cc1cnc(NC[C@H](O)CNC(=O)CCn2cccn2)cn1 1105753952 CHHUYYYANVMYGR-LBPRGKRZSA-N 315.337 -0.476 30 20 DBED C=CCOCCCC(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1 1105773601 KDURZCNGEOGQDK-GFCCVEGCSA-N 319.365 -0.358 30 20 DBED Cn1nccc1CC(=O)NC[C@@H](O)CNc1ncccc1C#N 1105806012 OKYWJQOUFXGPEQ-CYBMUJFWSA-N 314.349 -0.182 30 20 DBED C=CCCCC(=O)NC[C@H](O)CN=c1cc[nH]c(C(=O)OC)n1 1106072193 AOWLFPNFYOUPJO-LLVKDONJSA-N 322.365 -0.070 30 20 DBED COC[C@H](OC)C(=O)N[C@@H](C)CCN=c1cc[nH]c(C#N)n1 1106562925 XCUOGHSEAIKVSK-QWRGUYRKSA-N 307.354 -0.262 30 20 DBED C=C[C@](C)(O)CC(=O)NC/C=C/CNc1nccn2nnnc12 1107148705 POFKFECBULRWGQ-NNTXTVRGSA-N 317.353 -0.069 30 20 DBED C=C(C)CN1CC(n2cc(CNC(=O)Cn3nccn3)nn2)C1 1107175574 OICGADAOSSVCMM-UHFFFAOYSA-N 316.369 -0.381 30 20 DBED C=CCOCC(=O)NC[C@]1(C)CN(Cc2cnnn2C)CCO1 1107811668 PCEJQFZTXPIVFN-OAHLLOKOSA-N 323.397 -0.275 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)[C@@H]1CCCN1C(N)=O 1107813172 ALQASZSKMMTTQK-ZJUUUORDSA-N 317.353 -0.770 30 20 DBED C[C@H](CNc1cnc(C#N)cn1)NC(=O)[C@H]1CCCC(=O)N1 1107980314 JAZJJZGJGFOEFP-MWLCHTKSSA-N 302.338 -0.066 30 20 DBED C#CCCN1CCO[C@](C)(CNC(=O)c2cn(C)c(=O)cn2)C1 1108085269 VUGFLTUFTQKXCX-MRXNPFEDSA-N 318.377 -0.376 30 20 DBED C[C@]1(CNC(=O)COC[C@@H]2CCOC2)CN(CC#N)CCO1 1108253527 LPLPHNZMPQYVRG-HIFRSBDPSA-N 311.382 -0.230 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)[C@H](C)NC(C)=O)CC2=O)C1 1108499011 DMOJZJQANVSMIC-CMPLNLGQSA-N 308.382 -0.902 30 20 DBED C[C@H](CN(C)c1ccc(C#N)nn1)NC(=O)[C@H]1COCCN1C 1108943233 OFKACKXQIKHGDH-DGCLKSJQSA-N 318.381 -0.380 30 20 DBED C[C@@H](CN(C)c1cncc(C#N)n1)NC(=O)Cn1cncn1 1108960799 TWEZRNNOLOUKEK-JTQLQIEISA-N 300.326 -0.419 30 20 DBED CC(=O)N(C)CC(=O)N[C@H]1[C@H]2C[C@H]1N(c1cncc(C#N)n1)C2 1109682997 VPOQXYDOBXMQGU-NVBFEUDRSA-N 314.349 -0.480 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1ccnnc1 1111059996 DBDGRJCRGDNQQM-MCIONIFRSA-N 313.361 -0.439 30 20 DBED CC(=O)NCC(=O)N1CC[C@H]([C@@H](C)N=c2cc[nH]c(C#N)n2)C1 1111202711 BQWQYNJMYNCAFC-PWSUYJOCSA-N 316.365 -0.445 30 20 DBED CO[C@H](C)CC(=O)N(CCO)CCN=c1cc[nH]c(C#N)n1 1111433964 SIJHEHVCTIGTCU-LLVKDONJSA-N 307.354 -0.572 30 20 DBED CC(=O)NCC(=O)NC[C@@H]1COCCN1c1ccc(C#N)cn1 1111649284 IGBYUUPCSXWKIS-CYBMUJFWSA-N 317.349 -0.589 30 20 DBED CO[C@H](C)C(=O)NC[C@@H]1COCCN1c1nccnc1C#N 1111656524 DKTRRUUIEIATMN-GHMZBOCLSA-N 305.338 -0.295 30 20 DBED CNC(=O)CC(=O)N1CCO[C@@H](CNc2cncc(C#N)n2)C1 1111940741 TZHYMIQFQQPSNF-NSHDSACASA-N 318.337 -0.876 30 20 DBED Cc1cc(C#N)nc(N2CC[C@@H](NC(=O)CC(N)=O)[C@H](C)C2)n1 1112396480 WDZAVTKIKMIBBS-BXKDBHETSA-N 316.365 -0.137 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)c2csnn2)CC1 1113167200 BZWPXJCXRLYKQT-JTQLQIEISA-N 307.379 -0.566 30 20 DBED CCN(CCC#N)C(=O)CN1C[C@H]2C(NC(=O)COC)[C@@H]2C1 1113750524 VVSMWZBYCNJAFV-VXGBXAGGSA-N 308.382 -0.559 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)c3cnn(C)c3)[C@@H]2C1 1113841805 ICTOCUBLTCHSCO-CYZMBNFOSA-N 315.377 -0.782 30 20 DBED COCCOC[C@@H](O)CN1C[C@H]2[C@H](NC(=O)C#CC(C)C)[C@H]2C1 1114247880 QGZZXTHPFZLNHT-LJIGWXMPSA-N 324.421 -0.284 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)c3cnnc(O)c3)[C@H]2C1 1114436377 GJCRMGQFIJHQHH-QWRGUYRKSA-N 317.349 -0.856 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@H](C(C)C)N(C)C)[C@H]2C1 1114440462 SVEAEZFEIXRMSP-XNISGKROSA-N 322.453 -0.079 30 20 DBED Cc1cc(C)c(C(=O)NC2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]23)[nH]1 1114466530 POHUXDALFWSZRM-VXGBXAGGSA-N 315.377 -0.069 30 20 DBED C[C@H](C(=O)NC1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]12)C(C)(F)F 1114853314 BPEMYBWMKAABRL-OPRDCNLKSA-N 314.336 -0.036 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@H](C)CCOC)[C@H]2C1 1115263010 HAPSQBDTDYNMRR-CXTNEJHOSA-N 307.394 -0.545 30 20 DBED Cc1nn(C)c(C)c1CNC(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1118145581 NFWIBXRYSDNCGZ-HNNXBMFYSA-N 319.365 -0.470 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)C(=O)N2CCO[C@@H]3CCC[C@@H]32)C1 1118899653 ZRPMZHPSUHNJND-YWPYICTPSA-N 307.350 -0.357 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CC[C@@H](C(=O)OCC)C1)[C@@H]1CCCO1 1119781463 UYVJKCZSRHQISY-AGIUHOORSA-N 322.361 -0.305 30 20 DBED CN(C[C@@H](O)CNc1nccnc1C#N)C(=O)c1cnns1 1124091530 SKVBLLFBRRUTBL-QMMMGPOBSA-N 319.350 -0.255 30 20 DBED Cc1cc(=NC[C@H](O)CN(C)C(=O)[C@H](O)C(C)C)c(C#N)c[nH]1 1124295703 JVGZUIWTIQAWMW-DZGCQCFKSA-N 320.393 -0.068 30 20 DBED COC[C@@H](OC)C(=O)N(C)C[C@H](O)CNc1nccnc1C#N 1124722069 UAXOFIKZGOEBCU-ZYHUDNBSSA-N 323.353 -0.759 30 20 DBED N#Cc1ccc(CNCCNC(=O)Cn2cnnc2O)c(F)c1 1126026929 JIFFIHHXBYHUSF-UHFFFAOYSA-N 318.312 -0.100 30 20 DBED C[C@@H](NC(=O)CNCCNC(=O)C#CC(C)(C)C)C(=O)N(C)C 1126907057 DWFUBRBMRNAOBK-GFCCVEGCSA-N 324.425 -0.665 30 20 DBED COCC#CCNCCNC(=O)CCn1c(C)csc1=O 1129483903 GQBFSEOCNIKLII-UHFFFAOYSA-N 311.407 -0.036 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@@]1(CC)CCNC1=O 1129875782 YRTKFKFMCYJBGQ-ABAIWWIYSA-N 310.398 -0.701 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 1129900202 ALZJKOVTRUUVPO-IJLUTSLNSA-N 303.366 -0.643 30 20 DBED COc1ccc(C(=O)NCCNCC(=O)NCC#N)cc1F 1129915258 HOWWZCVFXZVCJT-UHFFFAOYSA-N 308.313 -0.207 30 20 DBED CC#CCN1CC[C@@H](c2n[nH]cc2CNC(=O)CNC(N)=O)C1 1130342428 JCTJYBHCIBLNNE-LLVKDONJSA-N 318.381 -0.493 30 20 DBED Cc1nn[nH]c1C(=O)N[C@@H]1CC[C@H](C)N(CC(=O)NCC#N)C1 1132215071 RHDPAQHRGCINKN-GXSJLCMTSA-N 319.369 -0.664 30 20 DBED C[C@@H](C[C@@H](C)NCC(=O)NCC#N)NC(=O)c1ccnn1C 1133870372 CMYZBMQNMSKGNY-MNOVXSKESA-N 306.370 -0.454 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)COc1cccnc1 1135352113 BAKPMMCLQSOWHK-GFCCVEGCSA-N 304.350 -0.696 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)[C@@H]1C[C@@H]1C(C)C 1136062277 YGUIKJJJGOKOLC-VXGBXAGGSA-N 310.398 -0.004 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)CC(=O)NCC2CC2)C1=O 1147085382 ZDIJVOCHVRQDSA-ZDUSSCGKSA-N 322.409 -0.605 30 20 DBED C#Cc1ccc(C(=O)NCCNC[C@H](O)Cn2cccn2)cn1 1148389954 WYZNPTAQOYWQMN-HNNXBMFYSA-N 313.361 -0.360 30 20 DBED C=C(C)CN(CC)C(=O)CNCCNC(=O)Cn1cncn1 1150262011 SOYVOJATYOLSBF-UHFFFAOYSA-N 308.386 -0.592 30 20 DBED C=C(C)CN1CCCO[C@@H](CNC(=O)CCn2cnnn2)C1 1150499590 XYUGNKBSAHUFQR-ZDUSSCGKSA-N 308.386 -0.154 30 20 DBED CCN(CCN1C(=O)CNC1=O)[C@H](C)CNC(=O)[C@H](C)C#N 1152413365 NVZGBHBTDUWTKJ-GHMZBOCLSA-N 309.370 -0.476 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H](C)N(CC)CC(=O)N1CCC1 1152883473 YRPQRSRZPIPHOG-CYBMUJFWSA-N 322.409 -0.815 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)c1cnn(C)n1 1155807200 OZTKUFQEGBLQCH-LLVKDONJSA-N 306.370 -0.995 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)Cn1ccnc1C 1156942510 WAGHELNTILWFBW-CYBMUJFWSA-N 319.409 -0.232 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)c1[nH]cnc1C 1157347996 ZWRGADAKFKJWTD-SNVBAGLBSA-N 306.370 -0.202 30 20 DBED COCC1(CNC(=O)[C@@H](C)C#N)CCN([C@H]2CCNC2=O)CC1 1162165949 RCDNCGIUBQHHNL-STQMWFEESA-N 322.409 -0.121 30 20 DBED C=CCNC(=O)CNCCCNC(=O)Cc1cc(CC)nn1C 1162990932 TUIJXRYUSHHMPK-UHFFFAOYSA-N 321.425 -0.077 30 20 DBED C#CCNCC1(CCNC(=O)[C@H]2COCCN2C(C)=O)CC1 1168230794 GJAMTRWIGSQRAY-CQSZACIVSA-N 307.394 -0.257 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)CCc1cnn(C)c1 1176879518 CREVFAQBEHTUDI-CYBMUJFWSA-N 319.409 -0.414 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)CCOCC#C)[C@H]1C 1178681778 MJDVOYDZRXJNBN-KBPBESRZSA-N 305.378 -0.645 30 20 DBED COCC#CCN[C@H]1CCN(C(=O)c2cc(=O)n(C)cn2)[C@H]1C 1178921244 FFKMTEHGJQXUIS-STQMWFEESA-N 318.377 -0.377 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)CN2CCCC2=O)C1 1180870562 HZKKGRHZBIXHGA-QWHCGFSZSA-N 322.409 -0.510 30 20 DBED N#CCNC(=O)CN[C@@H]1CCN(C(=O)c2ncc(F)cc2F)C1 1183656903 ISCYJNOARQRSSU-SNVBAGLBSA-N 323.303 -0.196 30 20 DBED C#CCNC[C@@H]1CCN(C(=O)CCS(=O)(=O)NC)C[C@@H]1C 1184411588 FGEPVILORSEODB-STQMWFEESA-N 315.439 -0.367 30 20 DBED COCC#CCNC[C@H]1CCN(C(=O)c2nnn(C)n2)C[C@@H]1C 1184956811 TUWLQFSATZCCQR-QWHCGFSZSA-N 320.397 -0.452 30 20 DBED CC#CCN[C@@H]1CCO[C@@H](C2CCN(C(=O)C(N)=O)CC2)C1 1186086508 RFMCAWGCSYWICH-ZIAGYGMSSA-N 307.394 -0.129 30 20 DBED N#CCNC(=O)CN1C[C@@H]2CCN(C(=O)[C@@H]3CC3(F)F)[C@@H]2C1 1187772472 XJCVXQKYYZSWLT-GARJFASQSA-N 312.320 -0.186 30 20 DBED CC#CCN1C[C@@H]2CCN(C(=O)COCc3ncnn3C)[C@@H]2C1 1189621073 CUHSARTVQDQQDH-UONOGXRCSA-N 317.393 -0.112 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@@H]1CCN(C(=O)c2ncc[nH]2)C1 1190045635 AFJWXNAAVCABJT-VXGBXAGGSA-N 303.366 -0.306 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)c2cnc(C)cn2)C1 1190750848 RBYZRTUVJXDEOX-ZIAGYGMSSA-N 306.366 -0.237 30 20 DBED COc1cncc(CN2C[C@@H](O)[C@H](NC(=O)[C@@H](C)C#N)C2)n1 1191872383 IXALUHDNRNYDQG-MVWJERBFSA-N 305.338 -0.694 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@@H]1CCN(C(=O)Cc2cnc[nH]2)C1 1192558305 BQGMKRFVRONGEN-TZMCWYRMSA-N 317.393 -0.377 30 20 DBED C#CCCN(C)[C@@H]1CCN(C(=O)[C@H](CCC(N)=O)NC(C)=O)C1 1192889076 QPGZUGBAPAXNGU-KGLIPLIRSA-N 322.409 -0.687 30 20 DBED CCCN1CCC[C@@H]1C(=O)N[C@@H]1CN(CC#CCOC)C[C@H]1O 1193506317 ONIVDZWQVYEPAS-BZUAXINKSA-N 323.437 -0.328 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@]2(CC(C)C)CCNC2=O)C1 1193911697 NDKYHLCZUKKDBI-CPUCHLNUSA-N 321.421 -0.277 30 20 DBED C=CCNC(=O)[C@H](C)N1CCCN(C(=O)[C@@H]2COC(=O)N2)CC1 1195717401 OLMJRTHSOBDLJM-RYUDHWBXSA-N 324.381 -0.680 30 20 DBED CC(C)C#CC(=O)N1CCCN([C@@H](C)C(=O)NC(N)=O)CC1 1195754481 OSZOYEAHRQSGQO-LBPRGKRZSA-N 308.382 -0.237 30 20 DBED C#CCNC(=O)[C@H](C)NC1CCN(C(=O)CC(=O)N(C)C)CC1 1202826497 CAKVXPDMSXFBMI-LBPRGKRZSA-N 322.409 -0.817 30 20 DBED C#CCNC(=O)CC(=O)N1CCC(CNC[C@@H](C)OC)CC1 1205050497 SBLKDJNFZVKFMR-CYBMUJFWSA-N 309.410 -0.011 30 20 DBED C#CCNCC1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)CC1 1206602085 DFTNXFVJHTZEDW-UHFFFAOYSA-N 318.377 -0.612 30 20 DBED CC(=O)N[C@H](CCC(N)=O)C(=O)N1CCC(CNCC#N)CC1 1206607835 DIHWUMHCDLKHMW-CYBMUJFWSA-N 323.397 -0.892 30 20 DBED N#Cc1ccc(C(=O)N2CCC[C@H](NCC(=O)NC(N)=O)C2)[nH]1 1207820788 SPGNGNLDIFUKEO-JTQLQIEISA-N 318.337 -0.725 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)Cc2ccnn2C)C1 1207913952 HCAZLGHIKYFPBG-CYBMUJFWSA-N 319.409 -0.155 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)C(C)(C)F)[C@H](OC)C1 1211761805 MZWNPTRGESJNNM-QJPTWQEYSA-N 313.373 -0.312 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)CCc2cnn(C)n2)C[C@H]1C 1215557760 BQYIBXAJJWLOIY-UKRRQHHQSA-N 319.409 -0.166 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)Cc2nc[nH]n2)C[C@H]1C 1216326489 GAOWDMCJOFGGOF-GHMZBOCLSA-N 306.370 -0.914 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(Cc2cnoc2C)C[C@@H]1O 1219536589 UVDPEGDCJNFBJM-IPYPFGDCSA-N 309.366 -0.029 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)CCc2cnc[nH]2)C1 1219774253 GJUOMUUKAVFXTD-KGLIPLIRSA-N 308.382 -0.294 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C[C@@H]2C[C@H]2C2CC2)C1 1220033800 JEOGNPITZYNQMN-XQLPTFJDSA-N 319.405 -0.667 30 20 DBED CC(C)(C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@@H]1O)C1CCC1 1220080265 SKLMEIYHKADRBO-OLZOCXBDSA-N 322.409 -0.386 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)CNC(=O)CC2CCCC2)C1 1220547912 NDVSLUUUOOMZRT-CABCVRRESA-N 321.421 -0.133 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)CCn2cccc2)C1 1220612135 LEDDQASPDJGIKB-CABCVRRESA-N 305.378 -0.311 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(CC(=O)NCCC)C[C@@H]1O 1221143552 IUVOXZGLXOQCAV-UPJWGTAASA-N 313.398 -0.735 30 20 DBED Cn1cnc(C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NCC#N)c1 1225663334 ZMHSFOGTKHZZFP-VXGBXAGGSA-N 318.381 -0.310 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC(NC(=O)[C@@H]2CCCN2C)CC1 1226608656 PFXACXJWJYZHDT-HIFRSBDPSA-N 320.437 -0.201 30 20 DBED N#CCNC(=O)CN1CCC(NC(=O)CCc2cn[nH]c2)CC1 1229535368 LIFINMRKRYABMX-UHFFFAOYSA-N 318.381 -0.437 30 20 DBED N#CCN1CCS(=O)(=O)[C@H](CCNC(=O)c2cnco2)C1 1230477172 KLTHMMNFQJMZJQ-SNVBAGLBSA-N 312.351 -0.583 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@H]1CN(C)C(=O)c1cnn(C)c1 1230714803 KCZVKNZVIFMDHA-OCCSQVGLSA-N 317.393 -0.296 30 20 DBED C=CCNC(=O)[C@H](C)N(C)CCCNC(=O)CN(C)C(C)=O 1234181518 VSXNJYTXWDZCJW-LBPRGKRZSA-N 312.414 -0.407 30 20 DBED C=C[C@@H](COC)NC(=O)N1CCCN(S(C)(=O)=O)CC1 1320294284 KBCBZWVWIFAFND-NSHDSACASA-N 305.400 -0.136 30 20 DBED C=C(C)COCCNC(=O)C(=O)N1CC[C@@H](N2CCCC2=O)C1 1324307405 AUGLJMYJOFHVMY-CYBMUJFWSA-N 323.393 -0.081 30 20 DBED C=CCn1cc(CNC(=O)c2cn(CC(=O)N(C)C)nn2)nn1 1325911842 AKAIIKIRLDATJP-UHFFFAOYSA-N 318.341 -0.926 30 20 DBED COC(=O)c1cnn(C)c1NC(=O)C(=O)N(C)[C@@H](C)CC#N 1326283433 NFVREHVHQULOGP-QMMMGPOBSA-N 307.310 -0.094 30 20 DBED CCONC(=O)CNC(=O)C(=O)NCc1ccc(C#N)c(F)c1 1326725071 IAPJITIRYXLCII-UHFFFAOYSA-N 322.296 -0.503 30 20 DBED COC(=O)[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](CC#N)C2)CCO1 1328169511 IQIGMLQJLSNZDS-NEPJUHHUSA-N 323.349 -0.461 30 20 DBED Cn1nc(C2CC2)nc1CC(=O)NS(=O)(=O)CCCC#N 1332338433 DHDMEAZPGYLPNP-UHFFFAOYSA-N 311.367 -0.015 30 20 DBED C=CCC1(O)CCN(C(=O)C(=O)N2CCN(C)C(=O)C2)CC1 1335625031 PHAVYDHJLGCDQH-UHFFFAOYSA-N 309.366 -0.783 30 20 DBED N#C[C@@H]1CN(C(=O)NCCCCCN2CCNCC2)CCO1 1335638457 YABKRWQGUHJPAW-CQSZACIVSA-N 309.414 -0.004 30 20 DBED CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CC[C@](O)(CC#N)C1 1349215235 RPSXUFUSVFRBBH-XJKSGUPXSA-N 322.409 -0.146 30 20 DBED O=C(CCC(=O)N1CCC(O)CC1)N[C@@H]1CCCN(O)C1=O 1349810999 FLHLOKIEEXHDNH-LLVKDONJSA-N 313.354 -0.754 30 20 DBED N#C[C@@H]1CN(C(=O)CCc2nc(-c3nc[nH]n3)no2)CCO1 1362062933 YSRLQMPLDHXRLP-MRVPVSSYSA-N 303.282 -0.462 30 20 DBED C[C@@H](C[S@@](C)=O)NC(=O)CCn1cc(C#N)c(O)nc1=O 1362649045 KMHHGYLVEBBYEV-HXNGOWOSSA-N 312.351 -0.906 30 20 DBED C[C@H]1CC(=O)CC[C@H]1C(=O)NCCn1cc(C#N)c(O)nc1=O 1362690322 QSUQHHRFWZJFET-JOYOIKCWSA-N 318.333 -0.058 30 20 DBED N#CCC1(CS(=O)(=O)N2CC[C@H]3OCC(=O)N[C@@H]3C2)CC1 1365712263 ZBQUYQBEVKTEET-GHMZBOCLSA-N 313.379 -0.401 30 20 DBED C=C(Cl)CNC[C@@H](O)CNC(=O)[C@H]1CCCN1C(C)=O 1374679259 ZFJPMPKGOYZLQM-VXGBXAGGSA-N 303.790 -0.184 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)c2ccc(C(N)=O)o2)CC1 1379081230 JWTOGJIZLYUZHC-MRVPVSSYSA-N 304.306 -0.083 30 20 DBED Cc1cnc2nc(C(=O)NC[C@@H](C)NC(=O)[C@@H](C)C#N)nn2c1 1386334148 FIXVFWAEZAIHPC-VHSXEESVSA-N 315.337 -0.173 30 20 DBED CN(CCNC(=O)[C@H]1COCCO1)C(=O)c1ccc(C#N)[nH]1 1386811868 RCZSKZDYZXOAOX-GFCCVEGCSA-N 306.322 -0.510 30 20 DBED C=C(Cl)CN1CC[C@H]1CNC(=O)CCCS(N)(=O)=O 1406852125 GORGQTILURSHRK-JTQLQIEISA-N 309.819 -0.002 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1cnc2n1CCCC2 1410151828 GYTRKQHFWIQKEA-GHMZBOCLSA-N 319.365 -0.414 30 20 DBED C[C@H](NC(N)=O)C(=O)N1CCCC2(C1)CN(C(=O)[C@H](C)C#N)C2 1412175696 WIULLBUMIGCOCP-MNOVXSKESA-N 321.381 -0.346 30 20 DBED CC(=O)N(C)CC(=O)NC[C@H](C)CNC(=O)c1cc(C#N)c[nH]1 1430968039 PQBHTSYASMSCCK-JTQLQIEISA-N 319.365 -0.153 30 20 DBED CC(=O)N1CC[C@](C)(C(=O)NCC2CN(C(=O)[C@@H](C)C#N)C2)C1 1432479260 LGEDYUQRRBXJKQ-ZBEGNZNMSA-N 320.393 -0.021 30 20 DBED CN(CCN(C)C(=O)c1cc(C#N)c[nH]1)CCN1CCNC1=O 1438863496 CJWLNNNQHHICPJ-UHFFFAOYSA-N 318.381 -0.085 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)COc1ccccc1 1458043043 ZMECNLVNGUTFIG-RYUDHWBXSA-N 305.334 -0.182 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(Cc2cc3n(n2)CCC3)C1 1484264530 PURVMZZNSIOTQX-LLVKDONJSA-N 303.366 -0.348 30 20 DBED C#Cc1cncc(C(=O)N(C)CCNC(=O)[C@H]2C[C@H]2C(=O)O)c1 1573313870 SKYCTJGWYITNHK-QWHCGFSZSA-N 315.329 -0.028 30 20 DBED N#C[C@H]1COCCN1C[C@@H](O)CC1(O)CCC(C(=O)O)CC1 1574242358 UWDCZOLRYSIFJJ-FMPXUHTOSA-N 312.366 -0.032 30 20 DBED CNC(=O)Cn1cc(NC(=O)C2CC3(CNC[C@@H]3C#N)C2)cn1 1578560240 UTVCSNPJSORCMF-VTWZXRTESA-N 316.365 -0.293 30 20 DBED C#CCN1CCC(C(=O)N2CCNC(=O)[C@@H]2CC(=O)O)CC1 1588471396 MBVKAMADLFPALU-LBPRGKRZSA-N 307.350 -0.867 30 20 DBED C=C[C@H](COC)NC(=O)N1C[C@@H](C(=O)OC)[C@@H](C(=O)O)C1 1588692736 IYXHTTBQRHXZFY-KXUCPTDWSA-N 300.311 -0.297 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N1CC[C@](OC)(C(=O)O)C1 1588828894 RXHMYLIXESKSBF-CQSZACIVSA-N 314.338 -0.651 30 20 DBED CCN(C(=O)CCn1cc(C#N)c(O)nc1=O)[C@@H](C)C(=O)O 1589700300 XTONBBQIXMZGLI-QMMMGPOBSA-N 308.294 -0.468 30 20 DBED C[C@H](CNC(=O)C#CC1CC1)Nc1ccc(-c2nn[nH]n2)nn1 1589849149 YTYHWKODWJOASH-SECBINFHSA-N 312.337 -0.013 30 20 DBED COC(=O)[C@@H]1CN(S(=O)(=O)CCCCC#N)C[C@@H]1C(=O)O 1598825461 KPMDARLFZXWWOC-VHSXEESVSA-N 318.351 -0.184 30 20 DBED N#Cc1cccc(NC(=O)C(=O)N2CCC[C@@H](O)[C@@H]2C(=O)O)c1 1601122567 QAYFXFGIAAEENP-VXGBXAGGSA-N 317.301 -0.067 30 20 DBED CS(=O)(=O)CCNN=Cc1csc(-c2nn[nH]n2)c1 1605354427 RSUHYXKXNAIIAF-UHFFFAOYSA-N 300.369 -0.104 30 20 DBED O=C(COc1ccc(-c2nn[nH]n2)cc1)N[C@H]1CCN(O)C1=O 1606567631 IQMMFGDIFWHLRN-JTQLQIEISA-N 318.293 -0.648 30 20 DBED C#CCOCCNC[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 1609021570 JMYXDQSLQCXQJR-ZDUSSCGKSA-N 317.349 -0.154 30 20 DBED Cn1c(=O)nc(O)c2cc(C(=O)N3CCO[C@H](C#N)C3)cnc21 1645548486 DMMHJYZFBWCRTC-SECBINFHSA-N 315.289 -0.601 30 20 DBED Cn1ncc2cc(S(=O)(=O)N3CCO[C@@H](C#N)C3)cnc21 1645694837 MPSOXBAECCKYNP-JTQLQIEISA-N 307.335 -0.119 30 20 DBED Cn1cc(C#N)cc1-c1nnc(N2CCS(=O)(=O)CC2)n1C 1647675818 PDUYMFMQPWNDDC-UHFFFAOYSA-N 320.378 -0.073 30 20 DBED C#CCNC(=O)CN1CCC[C@H](NC(=O)c2cnns2)C1 1692116629 JFWPKLHDGRMHIW-JTQLQIEISA-N 307.379 -0.518 30 20 DBED N#CCNC(=O)CN1CC[C@@H](NC(=O)c2cnn3cc[nH]c23)C1 1713834674 AFFRHAHPCVWIGD-SNVBAGLBSA-N 315.337 -0.894 30 20 DBED C#CCNC(=O)CNC[C@@H]1CCCCN1C(=O)c1ncc[nH]1 1725026824 WUFKUIOJESMZNN-LBPRGKRZSA-N 303.366 -0.257 30 20 DBED CN(CC#N)C[C@@H]1CCCN(C(=O)CN2CCNC(=O)C2)C1 1752518746 PUVSPFFGTDKCGZ-ZDUSSCGKSA-N 307.398 -0.888 30 20 DBED C[C@H](NC(=O)CCNS(C)(=O)=O)[C@H]1CCCN(CC#N)C1 1752835432 FQECDZBFTBPCFH-RYUDHWBXSA-N 316.427 -0.334 30 20 DBED C=CCN1CC[C@H](N[C@@H](C)CNC(=O)CCn2cncn2)C1=O 1752859351 AKVZGNIPHRNUBW-STQMWFEESA-N 320.397 -0.451 30 20 DBED C#CCNC(=O)CN[C@@H](C)CNC(=O)c1cnc(C2CC2)nc1 1752903877 UCAKSXCWUQAPSW-NSHDSACASA-N 315.377 -0.189 30 20 DBED Cn1cc(C(=O)N[C@H]2CCC[C@@H](NCC(=O)NCC#N)C2)cn1 1752961864 JCBLQLHPAZBBQJ-OLZOCXBDSA-N 318.381 -0.310 30 20 DBED C#CCNC(=O)CN1CCC[C@@H]1CNC(=O)c1ccnc(O)c1 1753100636 CFVQRSBDYHIWPL-CYBMUJFWSA-N 316.361 -0.269 30 20 DBED N#CCNC(=O)CN(CCNC(=O)c1ccncc1)C1CC1 1753150850 PYHKJAWFKVTBDH-UHFFFAOYSA-N 301.350 -0.084 30 20 DBED C#CCCN(C)C[C@H]1CCN(C(=O)c2cn(C)c(=O)nc2O)C1 1753358969 DJGHGSGZKFWIMM-GFCCVEGCSA-N 318.377 -0.097 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H]1CN(Cc2cnn(C)n2)CCO1 1753648243 BXKMPOXDFFRKKM-TZMCWYRMSA-N 321.381 -0.830 30 20 DBED N#CCNC[C@@H](O)CNC(=O)c1ncn(-c2ccccc2)n1 1753915505 XAPDLZZEDDTRDW-GFCCVEGCSA-N 300.322 -0.529 30 20 DBED COCC#CCNC[C@H](C)NC(=O)c1ccn(CCN(C)C)n1 1754266991 RPIAYMQXWXQXLL-AWEZNQCLSA-N 321.425 -0.198 30 20 DBED C#CCNC(=O)CNC[C@@H]1CCCC[C@@H]1NC(=O)CCN(C)C 1754348864 OCWNIHWRJFRSHY-GJZGRUSLSA-N 322.453 -0.048 30 20 DBED C=CCNC(=O)NC(=O)CN1C[C@H]2C[C@H](NC(C)=O)C[C@H]1C2 1754781070 QRVDKEVKEZHZFW-RWMBFGLXSA-N 308.382 -0.013 30 20 DBED C#CCCN[C@@H](C)[C@@H](C)NC(=O)c1nc(C)n(-c2nc[nH]n2)n1 1755245686 GFYFFTRUQMHAAN-VHSXEESVSA-N 316.369 -0.186 30 20 DBED C#CCN[C@@H](C)[C@@H](C)NC(=O)Cn1ncn2nccc2c1=O 1755256635 NLCLMLGNLABRNK-WDEREUQCSA-N 302.338 -0.993 30 20 DBED CC#CCNC[C@@H](O)CN(C)C(=O)[C@@H]1CCc2cncn2C1 1755793055 MJHPJZVPWIIIHM-UKRRQHHQSA-N 304.394 -0.122 30 20 DBED C#CCN(C)C[C@H](O)CN(C)C(=O)[C@H](C)CS(C)(=O)=O 1755807457 HKUWLRPVOCCPOK-NEPJUHHUSA-N 304.412 -0.949 30 20 DBED CC(C)C#CC(=O)N(C)C[C@@H](C)NC(=O)CN1CC(=O)NC1=O 1756449994 VAJUWABFGMWNJN-LLVKDONJSA-N 322.365 -0.839 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@H](CO)CNC(=O)c1ccccc1O 1756503544 JWQBTDDGRSDALG-MEDUHNTESA-N 322.361 -0.074 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](CO)CNC(=O)c1cnc(C)[nH]1 1756516765 CKXJTOHHSNXAGU-WZRBSPASSA-N 322.365 -0.484 30 20 DBED C=C1CC(C)(C(=O)N[C@@H](CO)CNC(=O)Cn2ccnc2)C1 1756529768 HHXZJNPMMXZLCU-GFCCVEGCSA-N 306.366 -0.167 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(C(=O)c2nonc2C)C[C@H]1C 1757071424 VUPVYQLHIWXXCS-ADEWGFFLSA-N 320.349 -0.007 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC[C@](O)(C(=O)O)C1 1776398570 UJCHYYANZFQKKG-GXSJLCMTSA-N 305.356 -0.623 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cnn(C)c1 1801423557 TUDLOSNPJBGSTK-YWVIFJGQSA-N 316.361 -0.815 30 20 DBED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ncc[nH]1)CCO2 1833722246 GUSHQMJSIRZZLJ-OAHLLOKOSA-N 318.333 -0.887 30 20 DBED CN[C@@H](CC(=O)N1CC2(CCCN2C(=O)CC#N)C1)C(=O)O 1842621878 NDSBULRTGWBWOU-JTQLQIEISA-N 308.338 -0.834 30 20 DBED COC(=O)CCN1CCN(S(=O)(=O)N(C)CCC#N)CC1 67716732 XBGGAFQAJDYUNK-UHFFFAOYSA-N 318.399 -0.743 30 20 DBED CNC(=O)CCN(C)CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 179690730 LBDQZAAWYWWPRO-CQSZACIVSA-N 323.441 -0.253 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(CC)CC(C)(C)O)C1=O 267003987 OYLOWUWPZNIJKH-UHFFFAOYSA-N 311.338 -0.417 30 20 DBED C#CCN(CC#N)S(=O)(=O)CCOCCOCCOC 283210161 NWYIOGWMRSPUQV-UHFFFAOYSA-N 304.368 -0.545 30 20 DBED N#Cc1ccc(S(=O)(=O)NCC[C@H](O)C(=O)O)cc1F 291928055 VYZALDGVAIFMNL-JTQLQIEISA-N 302.283 -0.189 30 20 DBED COC(=O)NCC(=O)N1CCN(c2ncccc2C#N)CC1 298817448 LWPXDCXHFQCKHP-UHFFFAOYSA-N 303.322 -0.042 30 20 DBED COc1ccc(N/C(O)=N/CCN2CCCS2(=O)=O)nn1 329133641 PSAHTNXHHADNTC-UHFFFAOYSA-N 315.355 -0.153 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1C[C@H](C)O[C@H](C(=O)OC)C1 338351084 RRUIPYLIHHAMKP-DCAQKATOSA-N 313.354 -0.351 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(CC)nn2C)C1=O 340837324 KKVVDGRBLCQADV-UHFFFAOYSA-N 319.321 -0.102 30 20 DBED CCNS(=O)(=O)c1cccc(C(=O)NCC(=O)NCC#N)c1 343526142 YIHBDHGXCSHTAZ-UHFFFAOYSA-N 324.362 -0.646 30 20 DBED CC#CCCNC(=O)CCc1nc2c(O)nc(=O)n(C)c2[nH]1 353952033 NIGKWCACJIYLDP-UHFFFAOYSA-N 303.322 -0.176 30 20 DBED C=C[C@H](C)NC(=O)N(CC)CC(=O)N[C@@H]1CCS(=O)(=O)C1 361527610 IGJCWOCPIDUKKD-WDEREUQCSA-N 317.411 -0.104 30 20 DBED CN(CCCO)C1CCN(S(=O)(=O)N(C)CCC#N)CC1 443270290 KEZYJONCRHBAOL-UHFFFAOYSA-N 318.443 -0.145 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)C2(C(=O)CC)CC2)CC1 491295903 JSIHFKLSTFQPDD-UHFFFAOYSA-N 305.378 -0.361 30 20 DBED COC(=O)CC[C@@H](NS(=O)(=O)N(C)CCC#N)C(=O)O 548224779 FEDMPSIEXLTNCR-MRVPVSSYSA-N 307.328 -0.927 30 20 DBED COC(=O)CNC(=O)CNC(=O)c1c(F)cc(C#N)cc1F 567011886 LHECYXSPJMWFJT-UHFFFAOYSA-N 311.244 -0.145 30 20 DBED Cc1nc(S(=O)(=O)NCC(=O)NCC2(C#N)CC2)cn1C 578293258 LIAVFVIUTHDLOP-UHFFFAOYSA-N 311.367 -0.573 30 20 DBED C=CCOC[C@H](NS(=O)(=O)CC[C@@H]1CCOC1)C(=O)O 580560737 VYFQZOPAZJYFCF-QWRGUYRKSA-N 307.368 -0.012 30 20 DBED N#C[C@@H]1CN(C(=O)[C@@H]2CCCO2)CCN1C(=O)[C@@H]1CCCO1 585125222 KSOSQGIFHSXIQO-AGIUHOORSA-N 307.350 -0.093 30 20 DBED N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@H]2CCOC2)c1 589462051 VOPRXWKKUQFJNH-NSHDSACASA-N 309.347 -0.258 30 20 DBED CC[C@H](CNS(C)(=O)=O)NC(=O)N1CC[C@@](O)(CC#N)C1 592027233 FUVJBUDQFSGHLY-PWSUYJOCSA-N 318.399 -0.626 30 20 DBED CCN1CC[C@H](NC(=O)C(=O)Nc2cc(C)c(C#N)cn2)C1=O 594299277 HQESOJKUVRQVFE-NSHDSACASA-N 315.333 -0.063 30 20 DBED CCNC(=O)CNc1cc(C)nc(NCC(=O)NCC)c1C#N 596059420 ZNUYUKBAZZJPMG-UHFFFAOYSA-N 318.381 0.358 30 20 DBED N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCOCCN2)cc1 597707990 VJWRMFSZULZLCA-UHFFFAOYSA-N 323.374 -0.164 30 20 DBED COCCN(CC#N)C(=O)c1cc(S(N)(=O)=O)ccc1O 597755201 RZFMBORZMUIJOY-UHFFFAOYSA-N 313.335 -0.348 30 20 DBED CN1CCN(S(=O)(=O)c2ccc(C#N)cc2F)[C@H](CO)C1 601468891 HQNJCWUQGZPYRQ-NSHDSACASA-N 313.354 -0.006 30 20 DBED Cn1nnnc1SCCC(=O)N1CCN(CCC#N)CC1 602210372 PHQBWLDLXRQPCW-UHFFFAOYSA-N 309.399 -0.250 30 20 DBED CC(C)(C)OC(=O)CNC(=O)CN1CCN(CCC#N)CC1 612110159 LZVVJOULAIZLLI-UHFFFAOYSA-N 310.398 -0.024 30 20 DBED C=CCCn1cc(CNS(=O)(=O)N2CCNCC2)nn1 630590495 GXWKPAYIVMLTHS-UHFFFAOYSA-N 300.388 -0.906 30 20 DBED C=CCn1cc(C(=O)N2CCN(CCOCCOC)CC2)nn1 652996741 JRVKJQIJBXOPQQ-UHFFFAOYSA-N 323.397 -0.115 30 20 DBED CO[C@]1(CNC(=O)[C@H](N)CCCC#N)CCS(=O)(=O)C1 720914750 MEGFBAVYXAJULK-PWSUYJOCSA-N 303.384 -0.673 30 20 DBED CN(C)S(=O)(=O)c1ccc(C(=O)N(CC#N)CC(=O)O)o1 737375222 CCKJKVBCAQVYFE-UHFFFAOYSA-N 315.307 -0.420 30 20 DBED COC(=O)c1c(S(=O)(=O)Nc2n[nH]cc2C#N)n[nH]c1C 773375097 JNBBMHQUMSDYPF-UHFFFAOYSA-N 310.295 -0.100 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@H](C)Cn1cccn1)[C@@H]1CCCO1 774146226 JEXOOLGFZXRMNH-AGIUHOORSA-N 304.350 -0.315 30 20 DBED CC(C)[C@](C)(C#N)NC(=O)COC(=O)Cn1cc([C@@H](C)O)nn1 777116770 WABQUOWJLXZSRA-YGRLFVJLSA-N 323.353 -0.071 30 20 DBED C=C[C@@H](C)OC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 781583505 RUECNXAOGPBUOL-SECBINFHSA-N 306.322 -0.059 30 20 DBED COCCCS(=O)(=O)NCCOC(=O)c1ccc(C#N)[nH]1 786086120 BFCFBPDTSXKCGG-UHFFFAOYSA-N 315.351 -0.001 30 20 DBED Cn1nncc1C(=O)NS(=O)(=O)c1cccc(F)c1C#N 798855749 JDLLEIISMJLSEF-UHFFFAOYSA-N 309.282 -0.055 30 20 DBED C[C@@H](NC(=O)COC(=O)[C@](C)(C#N)CC(=O)O)C(=O)N(C)C 820122571 TZUNGQILVAEZLQ-OQPBUACISA-N 313.310 -0.873 30 20 DBED CN(CCC#N)S(=O)(=O)N1CC[C@@H]2COC(=O)N[C@H]2C1 828408500 PMOGWASZYQBXBT-ZJUUUORDSA-N 302.356 -0.493 30 20 DBED COC(=O)N1C[C@H]2C=C[C@H]1[C@H](C(=O)N[C@@H]1CNC[C@@H]1C#N)C2 834484436 IUJRSXGTLPDKIV-YYHQMBLXSA-N 304.350 -0.143 30 20 DBED C=C[C@H](C)ONC(=O)NCCNS(=O)(=O)Cc1ccon1 845629098 HHLXKQHDADCMNR-VIFPVBQESA-N 318.355 -0.101 30 20 DBED CCOC(Cn1ncc(C(=O)NCC#CCO)c1N)OCC 848040495 KSHGHCBKECTNRQ-UHFFFAOYSA-N 310.354 -0.410 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N1CCn2cnnc2C1 850710254 WNVFNDPMSBEVGB-UHFFFAOYSA-N 305.338 -0.881 30 20 DBED C#CCN1CCC[C@H](NS(=O)(=O)CCCOC(C)=O)C1 885512492 WGTMUKKCKUUNGD-ZDUSSCGKSA-N 302.396 -0.043 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCc2ncncc2C1)[C@H]1CCCO1 898003711 OQDCCNGONAXWDF-GXTWGEPZSA-N 314.345 -0.342 30 20 DBED C#CCN1CCC[C@H](NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 905461771 RZNCEPJGRBEPKP-JSGCOSHPSA-N 307.354 -0.161 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)C(N)=O)C1 939384924 WNHUUZCIUSRZNF-UTUOFQBUSA-N 309.366 -0.488 30 20 DBED CO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1NC(=O)[C@@H]1[C@H]2COC[C@H]21 945463256 XBSREYWKLIZLBC-LYUGOTMTSA-N 307.350 -0.620 30 20 DBED CC[C@H]1CN(C(=O)C(N)=O)CC[C@@H]1NC(=O)c1c[nH]c(C#N)c1 948524339 FGSJCFWECQAGLE-CABZTGNLSA-N 317.349 -0.271 30 20 DBED CN(C(=O)c1nnn(C)n1)C1CN(C(=O)c2c[nH]c(C#N)c2)C1 955028902 OIGPYSZIWLFJHX-UHFFFAOYSA-N 314.309 -0.994 30 20 DBED C#CCCN1C[C@H](O)[C@H](CNC(=O)c2cnc3[nH]nnc3c2)C1 958149184 OWOWUNUYASAXRK-YPMHNXCESA-N 314.349 -0.601 30 20 DBED C#CCCN1C[C@H](O)[C@H](CNC(=O)c2cc3n(n2)CCCO3)C1 958255140 VGIBAWCROHQWCW-OCCSQVGLSA-N 318.377 -0.289 30 20 DBED N#CCN1C[C@@H](O)[C@H](CNC(=O)c2cc3c(nc2O)CCC3)C1 958668584 YLRZVSLIQQMOQK-BXUZGUMPSA-N 316.361 -0.178 30 20 DBED CO[C@@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]c(C#N)c2)C1 958828818 WSNZUYQWDROPSY-XDTLVQLUSA-N 320.349 -0.435 30 20 DBED N#Cc1ccccc1CN1C[C@H]2[C@H](NC(=O)Cn3ncnn3)[C@H]2C1 959888715 AICKQWYIGLWPDV-FOLVSLTJSA-N 323.360 -0.209 30 20 DBED O=C(C[C@H]1CCOC1)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 961995136 GXOVFBKHLAEBQQ-MCIONIFRSA-N 306.362 -0.486 30 20 DBED N#CCN1C[C@H]2C(NC(=O)[C@@H](C3CC3)N3CCOCC3)[C@@H]2C1 962695082 ZHFRSIIAERRBOI-UMVBOHGHSA-N 304.394 -0.333 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@@H]3[C@@H]2CCCN3C(=O)C(N)=O)[nH]1 963508413 FYLHCKPCWHFHRX-NWDGAFQWSA-N 315.333 -0.423 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC2(C1)CN(C(=O)[C@@H]1CCOC1)C2 965466785 QIHILDIGRSYINW-NWDGAFQWSA-N 307.350 -0.378 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CC[C@@H](CNC(=O)c3nc[nH]n3)O2)C1 965567673 PQJOVWXKXIUGQM-UWVGGRQHSA-N 318.337 -0.546 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CCCN(C(=O)C(N)=O)CC1 967654565 IQLUPKPKVALZIY-UPJWGTAASA-N 323.393 -0.098 30 20 DBED C#CCN1CC[C@@H](C)[C@H](NC(=O)CN2CCC(=O)NC2=O)C1 968513544 MOXISAGQYWLMBI-VXGBXAGGSA-N 306.366 -0.612 30 20 DBED Cc1cn2nc(C(=O)N3CC[C@@H](NCC#N)C3)cc2c(=O)[nH]1 969466692 YCVCWVBNCXRYCR-SNVBAGLBSA-N 300.322 -0.341 30 20 DBED COc1ccnc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)c1 969486524 QFTJQHMRDRYUDT-WQAKAFBOSA-N 318.333 -0.449 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)CCn3ccnn3)[C@@H]2C1 971940389 XLXBNTYFYAAMCJ-YNEHKIRRSA-N 316.365 -0.113 30 20 DBED C=C(C)CN1C[C@H]2CC[C@H]1CN2C(=O)Cn1c(O)nnc1O 972058023 IHBOKGIMVUYFEB-WDEREUQCSA-N 307.354 -0.059 30 20 DBED N#CCN1CCO[C@@]2(CCN(C(=O)CO[C@@H]3CCOC3)C2)C1 972378682 SWTDEABTTPPBLO-HIFRSBDPSA-N 309.366 -0.381 30 20 DBED N#CCN1CCO[C@@]2(CCN(C(=O)C[C@H]3CCCC(=O)N3)C2)C1 972458801 NRRUMFRAXXPWDL-CJNGLKHVSA-N 320.393 -0.128 30 20 DBED C#CCCN1C[C@@H](NC(=O)c2nnc(O)nc2O)C(C)(C)C1 974780481 RNXFCPIUWBRNNI-SECBINFHSA-N 305.338 -0.254 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCCN(Cc3nnnn3C)C2)C1 981670108 JYONDWSZFPOYTB-NSHDSACASA-N 303.370 -0.206 30 20 DBED C=CCN1CCCN(C(=O)CCn2cc[nH]c(=O)c2=O)CC1 982227182 KAGKYTPSDSFTNP-UHFFFAOYSA-N 306.366 -0.353 30 20 DBED CC(=O)NCc1cc(O)nc(CNC(=O)c2cc(C#N)c[nH]2)n1 984125469 NVVMGVAADGEYOE-UHFFFAOYSA-N 314.305 -0.052 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)c3nnn(C)n3)C[C@@H]2C1 986523198 PPVDREFJAIFGKT-MXWKQRLJSA-N 317.353 -0.710 30 20 DBED C#CCN[C@H]1C[C@H](C)N(C(=O)c2coc(S(N)(=O)=O)c2)C1 989058372 VHJZTEDNUVVHFU-ONGXEEELSA-N 311.363 -0.247 30 20 DBED C#CCNC1CCN(C(=O)[C@@H]2CCc3nnnn3CC2)CC1 997031221 PDAACSFNDXMGCX-GFCCVEGCSA-N 302.382 -0.161 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)C[C@H]2CCCCC(=O)N2)C1 997231899 GXNOUCCTDCYPMY-WDEREUQCSA-N 306.366 -0.078 30 20 DBED C=CCn1cccc1C(=O)N1CC(NC(=O)Cn2cncn2)C1 1000121606 SVDNAXJLNNNHNW-UHFFFAOYSA-N 314.349 -0.094 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCC1=CCN(CC(N)=O)CC1 1000792440 ZFVDGCRRNRMVDJ-AWEZNQCLSA-N 304.394 -0.682 30 20 DBED C[C@@H]1CN(C)C[C@H](C(=O)NCC2CN(C(=O)[C@H](C)C#N)C2)O1 1002883746 KUOKTBYTMJMEEW-NQBHXWOUSA-N 308.382 -0.560 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H]1CN(C)C(=O)c1c[nH]c(=O)cn1 1002918458 ALAWRZFRFMEFJC-MNOVXSKESA-N 317.349 -0.007 30 20 DBED C[C@@H](C#N)C(=O)N1CC(CNC(=O)c2ccc(C(N)=O)nc2)C1 1002929687 QRDRPXQHSFTSAA-VIFPVBQESA-N 315.333 -0.472 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@]2(CN(C(=O)c3cnn[nH]3)CCO2)C1 1007715504 DLCRDKXOABREPB-HZMBPMFUSA-N 318.337 -0.592 30 20 DBED O=C(CN1CCCC1=O)NC1[C@H]2CN(C(=O)C#CC3CC3)C[C@H]12 1012750959 MPIYTNAGQVTQTQ-STQMWFEESA-N 315.373 -0.405 30 20 DBED N#Cc1c[nH]c(C(=O)N2C[C@H]3C(NC(=O)Cn4ccnc4)[C@@H]3C2)c1 1013338731 UJSQLVJMSSBJHV-VXGBXAGGSA-N 324.344 -0.030 30 20 DBED C[C@@H](C#N)C(=O)N1CC=C(CNC(=O)[C@@H]2CC(=O)N(C)C2)CC1 1017507756 QQVVWCDDOAFEEW-WCQYABFASA-N 318.377 -0.101 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C)C[C@H]1O 1024358312 HZNUNKFDJYQQGR-ARILJUKYSA-N 319.405 -0.572 30 20 DBED C#CCN[C@@H]1CC[C@@H]2CN(C(=O)CN3CCOCC3=O)C[C@@H]21 1026284521 BXUQBLDWIJTYLF-HZSPNIEDSA-N 305.378 -0.695 30 20 DBED C=CCCn1cc(C(=O)NC[C@H]2CCCN2[C@H](C)C(N)=O)nn1 1028192332 KNICAQRKDQGZEP-VXGBXAGGSA-N 320.397 -0.078 30 20 DBED C=CCN1CC[C@@H](CNC(=O)[C@H]2CCN(C)S2(=O)=O)C1 1028862831 XTMDUULGWVDKRA-NWDGAFQWSA-N 301.412 -0.356 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCC[C@H](N[C@H](CC)C(N)=O)C1 1030019199 KINLOUXLNWXSOB-ZNMIVQPWSA-N 320.437 -0.072 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)[C@@H]3CCN(C)C3=O)C2)C1=O 1030814793 VWURBYVLKKCNLM-QWHCGFSZSA-N 320.393 -0.948 30 20 DBED N#Cc1c[nH]c(C(=O)NCC2CN(CCN3CCNC3=O)C2)c1 1031604057 FJQQNCGGQKMPDN-UHFFFAOYSA-N 316.365 -0.427 30 20 DBED CC#CCN1CCO[C@@H](CNC(=O)c2nc3ncccn3n2)C1 1035549188 IELBCBCTJUKIIJ-LBPRGKRZSA-N 314.349 -0.422 30 20 DBED C#CCN1CC2(CCN(C(=O)CN3CCN(C)C(=O)C3)CC2)C1 1035740520 IMMCXGIFSUKVCZ-UHFFFAOYSA-N 318.421 -0.682 30 20 DBED N#Cc1cc(C(=O)N2CC[C@H]3[C@H](CCN3CC(N)=O)C2)c[nH]1 1036684641 LHTUZEJYRQZXRV-MFKMUULPSA-N 301.350 -0.092 30 20 DBED C=CCOc1cccnc1C(=O)NC[C@H]1CCN1CC(N)=O 1038905703 QOUQZTKFXDCPOG-LLVKDONJSA-N 304.350 -0.064 30 20 DBED C#CCCCC(=O)NC[C@@]1(O)CCN(C(=O)[C@H]2CCOC2)C1 1039572736 BZDIRWWGGMRZNR-BBRMVZONSA-N 308.378 -0.094 30 20 DBED C#CCCCC(=O)NC[C@@]1(O)CCN(C(=O)C(C)(C)C(N)=O)C1 1039576873 YXOLTQOBDOVYQM-INIZCTEOSA-N 323.393 -0.619 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@]1(O)CCN(C(=O)c2ccc[nH]2)C1 1039722443 WHIIZADXFSRHIW-LRDDRELGSA-N 319.361 -0.254 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)c2cccnn2)C1 1040760076 LYHCOYWLOVTXLJ-HZMBPMFUSA-N 303.322 -0.671 30 20 DBED N#Cc1nccnc1N1C[C@@H](O)[C@H](NC(=O)c2csnn2)C1 1041263286 MVBBLBXDEXOILV-PSASIEDQSA-N 317.334 -0.821 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)c2n[nH]cc2C)C1 1042949481 ONPCNOQPMHOPNL-UHFFFAOYSA-N 308.338 -0.776 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)[C@H]2OCC[C@H]2C)C1 1043041359 HUAZSQJHDLPJFK-UPJWGTAASA-N 324.377 -0.861 30 20 DBED C=C(C)C(C)(C)C(=O)NCC1(O)CN(C(=O)c2nnn(C)n2)C1 1044410931 YQLIUSJGPZGTFH-UHFFFAOYSA-N 322.369 -0.885 30 20 DBED C=C[C@@H](C)[C@@H](C)C(=O)NCC1(O)CN(C(=O)Cn2cncn2)C1 1044981538 YPAGRUXHKDZLLQ-VXGBXAGGSA-N 321.381 -0.574 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)[C@H](C)C2CCOCC2)C1 1045565279 UNXUJPZNDGUGFA-VXGBXAGGSA-N 323.393 -0.102 30 20 DBED CC#CCN1CC[C@H](N2CCN(C(=O)[C@@H]3COC(=O)N3)CC2)C1 1046025109 UKNJHRRXCLYITP-KBPBESRZSA-N 320.393 -0.663 30 20 DBED C=CCN1C[C@H]2C[C@@H](NC(=O)Cn3cnc(C(N)=O)n3)C[C@H]1C2 1047071689 BAIFJOAOOJYNOK-QJPTWQEYSA-N 318.381 -0.468 30 20 DBED COCc1nc(CC(=O)N(C)[C@H]2CN(CC#N)C[C@@H]2O)cs1 1047591526 XFUNKYWPZPVJAO-RYUDHWBXSA-N 324.406 -0.141 30 20 DBED C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H]1CC(=O)NC1=O 1049933822 NDPMVNARFPJKAX-YNEHKIRRSA-N 303.362 -0.262 30 20 DBED N#Cc1cncc(N2CC[C@@H](NC(=O)c3cn[nH]c3)[C@@H](O)C2)n1 1051626270 LZYANOBCDXHSOB-NEPJUHHUSA-N 313.321 -0.559 30 20 DBED C#CCN1CCN([C@@H]2CCN(C(=O)Cc3nnc(C)o3)C2)CC1 1052021954 HQDAAWXNYVBKGX-CQSZACIVSA-N 317.393 -0.228 30 20 DBED C=CCN1CCN([C@H]2CCN(C(=O)[C@H]3CCNC3=O)C2)CC1 1052060171 YTUYIDWDBGOKED-KBPBESRZSA-N 306.410 -0.473 30 20 DBED C#CCCN1CCN([C@@H]2CCN(C(=O)c3nc[nH]n3)C2)CC1 1052098288 IAYMFUJITIQTPE-CYBMUJFWSA-N 302.382 -0.340 30 20 DBED CC#CCN1CCC[C@@H](NC(=O)CN2C(=O)CNC2=O)CC1 1052918609 BIQUYOPUNOCMFZ-GFCCVEGCSA-N 306.366 -0.468 30 20 DBED C=CCn1cc(C(=O)N2CCOC3(CN(CCOC)C3)C2)nn1 1053463942 RJQQWBIQZLJODH-UHFFFAOYSA-N 321.381 -0.363 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)[C@@H]3CCc4cncn4C3)CO2)C1 1053852760 PYQMZFZYRDSLPG-OLZOCXBDSA-N 315.377 -0.071 30 20 DBED COc1c[nH]c(C(=O)N[C@H]2COC3(C2)CN(CC#N)C3)cc1=O 1053872505 XNXSVLSMIMTXNZ-SNVBAGLBSA-N 318.333 -0.520 30 20 DBED CC(C)N1CCO[C@H](C(=O)N[C@H]2COC3(C2)CN(CC#N)C3)C1 1053904053 DTRHZEPXFXRNRT-KGLIPLIRSA-N 322.409 -0.421 30 20 DBED Cc1csc(=O)n1CC(=O)N[C@H]1COC2(C1)CN(CC#N)C2 1054004216 JOOMNWMDDCZNEC-LLVKDONJSA-N 322.390 -0.299 30 20 DBED C#CCN1CC[C@]2(CCCN(C(=O)C[C@@H]3CC(=O)NC3=O)C2)C1 1054250562 WPBOWAUFDIAUSD-SUMWQHHRSA-N 317.389 -0.013 30 20 DBED C[C@H](C#N)C(=O)NC1CCN(CCNC(=O)c2ncc[nH]2)CC1 1055572738 ZMVZMEPZWWPGOE-LLVKDONJSA-N 318.381 -0.120 30 20 DBED C=CCCC(=O)N[C@@]1(CO)CCCN(C(=O)c2nnn(C)n2)C1 1055825979 UDKJTLUJFAWBSC-AWEZNQCLSA-N 322.369 -0.740 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@](CO)(NC(=O)CC(=O)N(C)C)C1 1055950970 IGARBYXYXVQYRL-NHYWBVRUSA-N 324.381 -0.906 30 20 DBED N#Cc1cnccc1N1C[C@H]2C(NC(=O)[C@H]3COC(=O)N3)[C@@H]2C1 1056193673 GTQYNFUHLHFNSY-GMTAPVOTSA-N 313.317 -0.388 30 20 DBED COCCC(=O)N(CCO)CCNC(=O)c1c[nH]c(C#N)c1 1056732188 KPEMQBWDUOCINW-UHFFFAOYSA-N 308.338 -0.526 30 20 DBED COCCC(=O)NCCN(CCO)C(=O)c1c[nH]c(C#N)c1 1057391638 HCFGYALGXJYHRO-UHFFFAOYSA-N 308.338 -0.526 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)c1n[nH]c(C)c1O 1057439512 PWZZKQVFBCZYCV-UHFFFAOYSA-N 322.365 -0.222 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)C[C@@H]1CCN(C)C1 1057517603 YGNLUWSQHUVHCQ-HNNXBMFYSA-N 323.437 -0.075 30 20 DBED N#Cc1nc(=N[C@H]2C[C@@H](NC(=O)c3cnsn3)C2)cc[nH]1 1059578570 NLBBHAUFSNTPNY-OCAPTIKFSA-N 301.335 -0.005 30 20 DBED C[C@]1(C(=O)N[C@H]2C[C@@H](Nc3cncc(C#N)n3)C2)CCNC1=O 1059823622 SXOPRHOKHFLVAZ-WMFXKJRFSA-N 314.349 -0.066 30 20 DBED C[C@H](C#N)C(=O)NCC[C@@H]1CCN(C(=O)Cn2cncn2)C1 1060424755 SVAADZVANOCRLY-VXGBXAGGSA-N 304.354 -0.207 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCOC[C@@H]1CNC(=O)COC 1061195152 GGKSVLDXUOXXSY-FZMZJTMJSA-N 300.355 -0.697 30 20 DBED CNC(=O)CC(=O)NC[C@@H]1COCCN1C(=O)C#CC(C)(C)C 1061527718 CZZCRAACVGCTSI-GFCCVEGCSA-N 323.393 -0.484 30 20 DBED C=CCCOCC(=O)NC[C@H]1COCCN1C(=O)c1cc[nH]n1 1061666222 GRPCQEKLFHPJOR-LBPRGKRZSA-N 322.365 -0.040 30 20 DBED CCn1cc(C(=O)N2CCOC[C@@H]2CNC(=O)[C@H](C)C#N)nn1 1061848340 PUXWQQWGMJBZEF-MNOVXSKESA-N 320.353 -0.585 30 20 DBED C=CCCO[C@@H](C)C(=O)NCC1(NC(=O)CC(N)=O)CCC1 1062667649 FHHXPHXZIZEPAY-NSHDSACASA-N 311.382 -0.002 30 20 DBED C[C@H]1CCCN(C(=O)C(N)=O)[C@H]1CNc1cnc(C#N)cn1 1063957005 NUTUZKOXTKMNAN-ONGXEEELSA-N 302.338 -0.127 30 20 DBED N#Cc1nccc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)C2=COCCO2)n1 1064212663 SSTZRCXQTDYXIS-BFVZDQMLSA-N 313.317 -0.070 30 20 DBED Cc1c(C(=O)N2CCO[C@H](CNC(=O)[C@@H](C)C#N)C2)cnn1C 1064857569 NDBWDMLNSUTTFY-CMPLNLGQSA-N 319.365 -0.155 30 20 DBED CS(=O)(=O)CC(=O)N1CCC[C@H]1CNc1cncc(C#N)n1 1064870558 FFFBRRNHJYMTQU-NSHDSACASA-N 323.378 -0.204 30 20 DBED C=C[C@@H](CC)CC(=O)NC[C@H]1CN(C(=O)CC(N)=O)CCO1 1065001588 UKWMNANYYXJDNC-RYUDHWBXSA-N 311.382 -0.192 30 20 DBED C[C@H](Nc1ncc(C#N)cc1F)[C@@H]1CN(C(=O)C(N)=O)CCO1 1068243171 FYMWATIEWJEUQZ-KWQFWETISA-N 321.312 -0.395 30 20 DBED C=CCCC(=O)N1CCOC2(C1)CN(C(=O)Cc1nc[nH]n1)C2 1068348108 LLVRXUCXWHZZSR-UHFFFAOYSA-N 319.365 -0.247 30 20 DBED Cn1cnc([C@@H]2CN(C(=O)[C@H]3COCCO3)C[C@H]2NCC#N)c1 1070472659 RRUPYGARCGARJU-IACUBPJLSA-N 319.365 -0.757 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2ccnn2C)C[C@H]1c1cn(C)cn1 1070475367 PMPVKCUUCSYYPP-GXTWGEPZSA-N 312.377 -0.015 30 20 DBED CC(=O)N1CC(C(=O)N2C[C@@H]3C[C@@H]4CN(CC#N)C[C@]3(C2)O4)C1 1070792013 JSNHHFGDAIDORD-SQWLQELKSA-N 318.377 -0.710 30 20 DBED C#CCCN1C[C@H]2C[C@H]3CN(C(=O)c4cnn[nH]4)C[C@@]3(C1)O2 1070820505 RBPXCERRAFRZES-YWPYICTPSA-N 301.350 -0.257 30 20 DBED C=CCN1C[C@H]2C[C@@H]3CN(C(=O)Cn4cncn4)C[C@@]3(C1)O2 1070887742 STYVMZHCKFKUSN-UMVBOHGHSA-N 303.366 -0.234 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)C(C)(C)C(N)=O)CC1 1070970505 IRFLVTDWZZNVSW-UHFFFAOYSA-N 310.398 -0.666 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)Cc2[nH]cnc2C)CC1 1071017224 MELCDHIYNWASOA-UHFFFAOYSA-N 317.393 -0.456 30 20 DBED CC#CCN1C[C@H](NC(=O)Cn2cnc(C(N)=O)n2)CC[C@@H]1C 1071517188 FNWHZCQQGJTXBA-NWDGAFQWSA-N 318.381 -0.631 30 20 DBED CC(C)C#CC(=O)N[C@H]1CN(C(=O)CN2CCOCC2)C[C@@H]1C 1071917396 AUYYFYPPLFRSRB-GJZGRUSLSA-N 321.421 -0.059 30 20 DBED C[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1NC(=O)CCNC(N)=O 1072038464 FKJKOTJXVBUCGV-JQWIXIFHSA-N 306.366 -0.579 30 20 DBED C#CCOCCC(=O)N1C[C@H](C)[C@@H](NC(=O)CCN(C)C)C1 1072101803 QSVYVMWTRJQQBN-KBPBESRZSA-N 309.410 -0.059 30 20 DBED N#CCN1CCCO[C@@H](CNC(=O)[C@H]2CCCCN2C(N)=O)C1 1073853775 OFTFYAGPPNMPPN-QWHCGFSZSA-N 323.397 -0.350 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CCN(C(=O)c2cccnn2)CC1 1074690888 UPAKBZOHXKXJEV-NSHDSACASA-N 317.349 -0.280 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCn3ccnc3C2)C1 1077259226 LJSRIWDVPOMIKV-MGPQQGTHSA-N 302.378 -0.370 30 20 DBED C=CCCC(=O)N[C@@H](C)CCNC(=O)CN1CCNC(=O)C1 1077721596 HTHQEXIRHOHCBO-LBPRGKRZSA-N 310.398 -0.605 30 20 DBED C[C@H](C#N)C(=O)N1CCCO[C@H](CNCc2nnn(C)n2)C1 1078358193 LHYZWKVSDOIXPQ-GHMZBOCLSA-N 307.358 -0.923 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@@H]1CCc2nnn(C)c2C1 1080336902 XJEHREYHGALURI-NQBHXWOUSA-N 302.382 -0.120 30 20 DBED C=CCCOCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CCOC)C1 1081131388 QUWKXJJOAXSHKF-QWHCGFSZSA-N 314.382 -0.449 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)Cc2ncc[nH]2)C[C@@H]1O 1081336483 ZCAPVFSTPMWTJD-NEPJUHHUSA-N 306.366 -0.146 30 20 DBED O=C(Cc1cc[nH]n1)NC[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 1081368746 RRQZOECCMMPSQT-OCCSQVGLSA-N 316.361 -0.699 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](O)[C@@H](CNC(=O)Cc2nc[nH]n2)C1 1081794863 VFWFYPXUNMXVHX-WDEREUQCSA-N 321.381 -0.505 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2cc(C(F)(F)F)no2)C1 1083546844 IIBNNZGPHCLHSV-RQJHMYQMSA-N 304.228 -0.008 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)C2CCS(=O)(=O)CC2)C1 1083828188 FSLBESNJNBXYPB-OLZOCXBDSA-N 316.423 -0.451 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)C(=O)N2CCC[C@@H](C)C2)C1 1083838275 NEKOZIYCRXDDNU-MCIONIFRSA-N 309.410 -0.018 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)c2cn(CC3CC3)nn2)C1 1083896492 GOQMVYIUMWIGJC-OCCSQVGLSA-N 303.366 -0.514 30 20 DBED CC#CCN1CC[C@@H]1CN(C)C(=O)c1cc(=O)n2[nH]cnc2n1 1085924815 HRQVWEGMPGEAGU-LLVKDONJSA-N 314.349 -0.413 30 20 DBED C=CCN[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1c1cnn(C)c1 1086978521 AYUVBMNVTNCBAW-QWHCGFSZSA-N 316.369 -0.823 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCN(CC(=O)NC)[C@@H]2C)nn1 1088906846 OODVFNDYFVSMDU-MNOVXSKESA-N 306.370 -0.597 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2cnn(CCOC)c2C)[C@@H](O)C1 1090259020 QVRPLKKZSZNHHC-CABCVRRESA-N 320.393 -0.364 30 20 DBED C#CCN1CC[C@@H](NC(=O)Cc2cnccc2OC)[C@@H](O)C1 1090358788 PHTJJJYXPFGFDW-KGLIPLIRSA-N 303.362 -0.183 30 20 DBED CCN(CC)CC(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@H]1O 1090425903 CZRGKRDNWJTNNB-ZIAGYGMSSA-N 317.393 -0.039 30 20 DBED COC[C@@H](C)CC(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1O 1090476122 VETBVBRQRICAQO-QJPTWQEYSA-N 319.365 -0.313 30 20 DBED COc1ccc(CC(=O)N[C@H]2CCN(CC#N)C[C@H]2O)nc1 1090509673 GVHAKYOAHHSZDV-UONOGXRCSA-N 304.350 -0.292 30 20 DBED Cc1c(C(=O)N[C@@H]2CCN(CC#N)C[C@H]2O)nnn1C(C)C 1090684831 CBJOMHYFYBQHOS-VXGBXAGGSA-N 306.370 -0.144 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(c2ccnc(C#N)n2)C[C@H]1O 1092154183 SCCLNDRHALJJQA-VXGBXAGGSA-N 317.349 -0.393 30 20 DBED CC(=O)N1CC[C@H](C(=O)NCCNc2cncc(C#N)n2)C1 1093781903 ZREQDFFKJKIXKG-NSHDSACASA-N 302.338 -0.255 30 20 DBED COCCn1nccc1C(=O)NCCN=c1cc[nH]c(C#N)n1 1093945146 RIYGJULWOYZJFS-UHFFFAOYSA-N 315.337 -0.545 30 20 DBED C#CCN1CC(n2cc(CNC(=O)c3cccc(O)n3)nn2)C1 1094281725 YECWRSPSHUPIJY-UHFFFAOYSA-N 312.333 -0.201 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)[C@H](C)n3cccn3)CC2=O)C1 1094706012 UDJXKZNNGYLNNW-QWHCGFSZSA-N 315.377 -0.521 30 20 DBED CCNC(=O)CC(=O)N1CC[C@@H](N(C)c2ccc(C#N)nn2)C1 1095108104 ALZSSYYGROHYNH-GFCCVEGCSA-N 316.365 -0.088 30 20 DBED CN(CCCNC(=O)c1cnn(C)n1)c1cncc(C#N)n1 1095587741 CIVVCMLICVGKEA-UHFFFAOYSA-N 300.326 -0.267 30 20 DBED CN1CC[C@H](C(=O)NCCCN(C)c2cnc(C#N)cn2)C1=O 1095701860 ZQLWAYUDNSWAHQ-GFCCVEGCSA-N 316.365 -0.231 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CCN(c2ncccc2C#N)C1 1096361173 WYHBKFZBKRQBAQ-ZDUSSCGKSA-N 311.345 -0.212 30 20 DBED C[C@H](CNC(=O)C1CS(=O)(=O)C1)Nc1ncccc1C#N 1098070650 BALYTCMLGNLZSV-SECBINFHSA-N 308.363 -0.086 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC(N(CCO)CCCO)CC1 1098369597 UZHWFKIUXDUZTQ-AWEZNQCLSA-N 312.410 -0.308 30 20 DBED CC#CCN(CCO)C1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1 1098479949 IBDKTYWHCONWEJ-KGLIPLIRSA-N 307.394 -0.584 30 20 DBED COCC#CCNCc1cn([C@H]2CCN(C(=O)COC)C2)nn1 1098586461 GCQBBJDZKOJXGM-AWEZNQCLSA-N 321.381 -0.563 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2cccnc2)[C@@H](O)C1 1099622691 BVNAFABDCXOPRR-GJZGRUSLSA-N 303.362 -0.104 30 20 DBED Cc1cc(C#N)nc(N(C)CCNC(=O)[C@H]2CC[C@@H]2C(N)=O)n1 1100269458 ZGSJVBSPVGERET-RYUDHWBXSA-N 316.365 -0.279 30 20 DBED CCN(CCNC(=O)[C@@H]1CC[C@@H]1C(N)=O)c1ccnc(C#N)n1 1100695323 TUSBPWANLPKAKJ-WDEREUQCSA-N 316.365 -0.198 30 20 DBED CC(=O)N[C@@H](C)C(=O)N(C)[C@H]1CCN(c2ccnc(C#N)n2)C1 1102668875 WGGYBYXUNXANHB-JQWIXIFHSA-N 316.365 -0.090 30 20 DBED C#CCN1C[C@@H](C)[C@H](CCNC(=O)CN2CCOCC2=O)C1 1103091460 NQOSXCLFLDEBBK-ZIAGYGMSSA-N 307.394 -0.447 30 20 DBED Cc1cc(C#N)nc(NC[C@H]2CCCN2C(=O)CNC(N)=O)n1 1103788998 BKLMXGOIXGYEPQ-LLVKDONJSA-N 317.353 -0.272 30 20 DBED C=CCOCC(=O)N(C)[C@@H](C)CNc1ccc2nnnn2n1 1104495842 BTCWKDQZWRECFQ-JTQLQIEISA-N 305.342 -0.019 30 20 DBED C[C@H](CNc1nccnc1C#N)N(C)C(=O)[C@H]1CNC(=O)N1 1104784560 HGMPYTOIGQDZGY-PSASIEDQSA-N 303.326 -0.712 30 20 DBED C#CCNCc1cn(C2CN(C(=O)CCCCC(N)=O)C2)nn1 1105357637 HXXUOVQLQNLSCD-UHFFFAOYSA-N 318.381 -0.570 30 20 DBED CCn1cc(C(=O)NC[C@H](O)CNc2nccnc2C#N)cn1 1105765915 KIOTYLYXVSWEQT-LLVKDONJSA-N 315.337 -0.233 30 20 DBED Cc1nsc(NC[C@@H](O)CNC(=O)c2cnon2)c1C#N 1105928254 LFLDUZYWKIAYGZ-ZETCQYMHSA-N 308.323 -0.091 30 20 DBED CN(C)C(=O)CC(=O)NC/C=C/CNc1ccc(C#N)nn1 1107537557 IQZIPWFODKDSEF-ONEGZZNKSA-N 302.338 -0.089 30 20 DBED CN1C[C@@H](C(=O)NC/C=C/CN=c2cc[nH]cc2C#N)CC1=O 1107568756 OLUGIRNSRNMZLJ-JDGPPOGSSA-N 313.361 -0.062 30 20 DBED CC[C@H](C)C(=O)NCC(=O)N[C@H](C)CN=c1cc[nH]c(C#N)n1 1107781336 JLWOUUYJUZVGFR-WDEREUQCSA-N 318.381 -0.151 30 20 DBED CNC(=O)C1(C(=O)N[C@H](C)CNc2cncc(C#N)n2)CC1 1107829944 SVGSHQVGVKJXCR-SECBINFHSA-N 302.338 -0.209 30 20 DBED COc1cnc(C(=O)NC[C@@]2(C)CN(CC#N)CCO2)nc1 1108063287 QIFIHOPPGXLOPD-AWEZNQCLSA-N 305.338 -0.171 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CC(=O)N(C2CN(C[C@H](C)O)C2)C1 1108543656 ZCDIZGTXKKGGLR-QWHCGFSZSA-N 307.394 -0.572 30 20 DBED CNC(=O)CN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CSCC#N)C2 1108625075 SMUAOXOAPHRZGB-TUAOUCFPSA-N 310.423 -0.042 30 20 DBED C[C@@H](CN(C)c1cncc(C#N)n1)NC(=O)[C@H]1COCCN1C 1108943158 LVBLPUMKCAMHAV-WCQYABFASA-N 318.381 -0.380 30 20 DBED CN(C)CCC(=O)N[C@@H]1[C@H]2C[C@H]1N(c1nccnc1C#N)C2 1109739556 BXYJTKWLDAMYPH-ZKYQVNSYSA-N 300.366 -0.007 30 20 DBED N#Cc1cnc(NC2(CNC(=O)[C@@H]3COCCO3)CC2)cn1 1110058424 JSLNUEAAXKTWSN-NSHDSACASA-N 303.322 -0.176 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCOCC#C 1110551414 YNVDXJLWYIOQIO-KFWWJZLASA-N 317.389 -0.503 30 20 DBED CC(=O)NCC(=O)N1C[C@H](CNc2nccnc2C#N)[C@@H](C)C1 1111233446 SAUFLOZKSNUICR-JQWIXIFHSA-N 316.365 -0.009 30 20 DBED Cn1cnc(C(=O)N(CCO)CCNc2cncc(C#N)n2)n1 1111460619 CNOCYMGZRLTQNJ-UHFFFAOYSA-N 316.325 -0.977 30 20 DBED Cc1cc(C#N)nc(NCCN(CCO)C(=O)[C@H](O)C(C)C)n1 1111461947 XEYNPTHGHYTAGL-CYBMUJFWSA-N 321.381 -0.094 30 20 DBED CN(CCCN(C)c1ccncc1C#N)C(=O)Cn1ncnn1 1112131882 WBGVPVAOACKSSM-UHFFFAOYSA-N 314.353 -0.075 30 20 DBED COCC#CCN1CCN(C(=O)[C@H]2CCNC(=O)CC2)CC1 1113153806 FIUKOYIEFGJEQW-CQSZACIVSA-N 307.394 -0.303 30 20 DBED Cn1cc(C(=O)N2CCN(CC(=O)NCC#N)CC2)c(Cl)n1 1113525197 FGHPBELKOSLYMO-UHFFFAOYSA-N 324.772 -0.529 30 20 DBED CCNC(=O)CC(=O)NC[C@@H](C)N(C)c1ccc(C#N)nn1 1113567234 MZJLHNXHLIZHMY-SNVBAGLBSA-N 304.354 -0.185 30 20 DBED Cn1cncc1CCC(=O)N1CCN(CC(=O)NCC#N)CC1 1113596572 QQYXFSHTGKKLJU-UHFFFAOYSA-N 318.381 -0.863 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)c3ncoc3C)[C@@H]2C1 1113952526 FPTACIXNZSPBNK-MVWJERBFSA-N 316.361 -0.219 30 20 DBED C=CCCC(=O)N[C@H]1[C@@H]2CN([C@@H](C)C(=O)NC(=O)NC)C[C@@H]21 1114026284 ZLANKXJNMJQELA-MEWQQHAOSA-N 308.382 -0.157 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@@H]2CN(Cc3nc(C)no3)C[C@@H]12 1114158078 PROWUURUMMRADX-GHMZBOCLSA-N 317.349 -0.936 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)CCCC(=O)NC)[C@@H]2C1 1114169109 ATNWFJJDJOHPGW-VXGBXAGGSA-N 322.409 -0.749 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@H](C(C)C)N(C)C)[C@H]2C1 1114439003 INEBREYXSGNORW-XNISGKROSA-N 320.437 -0.632 30 20 DBED COCC#CCN1C[C@@H]2C(NC(=O)CCS(C)(=O)=O)[C@H]2C1 1114478552 XOEMXMQFVZXTIR-RYUDHWBXSA-N 314.407 -0.883 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3c[nH]nc3CC)[C@H]2C1 1114502523 WRPBTHWRELCTHJ-JYAVWHMHSA-N 315.377 -0.619 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)c3cnc(C)n3C)[C@@H]2C1 1114730704 HDYMXGFMWYJXEW-VXGBXAGGSA-N 315.377 -0.862 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)c3cnn(C)c3OC)[C@H]2C1 1115172043 KZKCCLXYAMRZNK-WDNDVIMCSA-N 318.377 -0.262 30 20 DBED C#CCN1C[C@@H]2C(NC(=O)CS(=O)(=O)NC(C)(C)C)[C@H]2C1 1115254929 SJXCPSSMIWVCMZ-QWRGUYRKSA-N 313.423 -0.616 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)N[C@H]1[C@@H]2CN(CCOC)C[C@@H]21 1115301714 FPBKRGDJGLKMOG-ITGUQSILSA-N 324.425 -0.057 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)CCCC(N)=O)[C@H]2C1 1115350311 QYVKZBWYNNOAKS-SRVKXCTJSA-N 322.409 -0.621 30 20 DBED C#CCNC(=O)CNC1(CNC(=O)CNC(C)=O)CCCCC1 1115384123 XSLIEARRVNFDHN-UHFFFAOYSA-N 322.409 -0.719 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CC[C@@H]([C@@H](C)N)C2)nn1 1118146967 BDAPMYNGYLJORF-GHMZBOCLSA-N 306.370 -0.724 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)N(C[C@H]2CCOC2)C2CC2)C1 1118182921 BFQYFCKMBXZFCZ-WBMJQRKESA-N 321.377 -0.109 30 20 DBED C[C@H](O)C[C@H]1CCCN1C(=O)C(=O)N1CC[C@](O)(CC#N)C1 1118184914 NSWWOLJZZRHNFP-YWPYICTPSA-N 309.366 -0.375 30 20 DBED C[C@@H](Cn1ccnc1)NC(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1118212087 XXIYTYWFDGHASH-FZMZJTMJSA-N 305.338 -0.735 30 20 DBED Cc1cc(C#N)nc(N[C@@H](CO)CNC(=O)c2ccon2)n1 1121113470 UGXJRHBRSJWHBI-SNVBAGLBSA-N 302.294 -0.153 30 20 DBED Cc1cc(C(=O)NC[C@H](CO)N=c2cc[nH]cc2C#N)cnn1 1121359089 CLNURWLLQDTMDI-CYBMUJFWSA-N 312.333 -0.324 30 20 DBED Cc1ncoc1C(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1 1121431794 CKHDBUWSJSXLMS-SECBINFHSA-N 302.294 -0.731 30 20 DBED CCn1ncc(C(=O)NC[C@@H](CO)N=c2cc[nH]cc2C#N)n1 1121471303 BBTOCSPRTMUSQL-NSHDSACASA-N 315.337 -0.811 30 20 DBED N#Cc1cccnc1N[C@H](CO)CNC(=O)C[C@H]1CCC(=O)N1 1121771870 YQVFKSVMUDOXIH-NEPJUHHUSA-N 317.349 -0.489 30 20 DBED Cc1cc(=N[C@H](CO)CNC(=O)[C@]2(F)CCOC2)c(C#N)c[nH]1 1122412197 WOQGSYPPYIDDTA-WFASDCNBSA-N 322.340 -0.299 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)C[C@@H]1COC(=O)C1 1125695734 OPDZRJQRGHYTMT-ZDUSSCGKSA-N 323.393 -0.154 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCNCc1noc(CCOC)n1 1126366170 RSMNSMDKYKNIAT-CQSZACIVSA-N 312.370 -0.209 30 20 DBED C#CCO[C@H](C)C(=O)NCCNC[C@@H](O)COCC(C)C 1127052400 WKKIXOUPMUHLHG-ZIAGYGMSSA-N 300.399 -0.236 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NCCNCCS(C)(=O)=O 1127604989 PQYMZAMQUGIWJS-NEPJUHHUSA-N 304.412 -0.282 30 20 DBED COCCC(=O)N[C@@H]1CCc2nnc(CNCC#N)n2CC1 1127918441 NNBKQNHIQXCXML-LLVKDONJSA-N 306.370 -0.251 30 20 DBED C[C@@H](OCC1CC1)C(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1 1128798819 SDEAZHDMDUKAMW-BNOWGMLFSA-N 318.381 -0.042 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(CCCO)C[C@@H]1n1ccnn1 1128989765 UWTWIDFCYFEXFY-MCIONIFRSA-N 321.381 -0.960 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cc(O)nc(C2CC2)n1 1130023961 BQKYANNCVNSFAB-UHFFFAOYSA-N 317.349 -0.872 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)C12CCCN1CCC2 1130810372 SXPRRVCHZHQYBA-ZDUSSCGKSA-N 306.410 -0.542 30 20 DBED CCNC(=O)CC(=O)N1C[C@@H]2C[C@@H]3CN(CC#N)C[C@]2(C1)O3 1131221039 WPBVUXAMAYFJFA-YWPYICTPSA-N 306.366 -0.662 30 20 DBED C=CCC[C@@H](C)N1CCNC(=O)CCN(C(=O)C(N)=O)CC1 1131376814 KXQCZGQSDDKCLU-GFCCVEGCSA-N 310.398 -0.523 30 20 DBED C[C@@H]1CC[C@H](NC(=O)C#CC2CC2)CN1Cc1nc(=O)n(C)[nH]1 1132047498 XSBZJBYMXLBIHR-YPMHNXCESA-N 317.393 -0.009 30 20 DBED C=CCNC(=O)CN1C[C@H](NC(=O)Cc2nc[nH]n2)CC[C@H]1C 1132416842 NIIILFHJPCDNST-VXGBXAGGSA-N 320.397 -0.382 30 20 DBED CC#CCN1C[C@H](NC(=O)CS(=O)(=O)NC)CC[C@@H]1C 1132501474 XDXYUUYHBOWWSN-NWDGAFQWSA-N 301.412 -0.472 30 20 DBED Cc1cc(C(=O)N[C@@H](C)C[C@H](C)NCC(=O)NCC#N)n(C)n1 1133880524 KJBJNDZNJNIEMI-QWRGUYRKSA-N 320.397 -0.145 30 20 DBED C=CCOCCNCCNC(=O)CNC(=O)c1cccnc1 1134150734 PBHGAVPBCVQHMU-UHFFFAOYSA-N 306.366 -0.280 30 20 DBED C=CCCN[C@@H](C)C[C@@H](C)NC(=O)CNC(=O)CNC(C)=O 1134769026 IEXPMVNGNYXUOR-NWDGAFQWSA-N 312.414 -0.312 30 20 DBED C[C@@H]1CCc2[nH]nc(C(=O)NCCNCC(=O)NCC#N)c2C1 1146261998 IJXUHJKMZZUGHJ-SNVBAGLBSA-N 318.381 -0.506 30 20 DBED C=CCNC(=O)CN1CCCO[C@H](CNC(=O)c2cocn2)C1 1149383439 GBVMBGXDOWIDBT-GFCCVEGCSA-N 322.365 -0.203 30 20 DBED N#Cc1ccccc1CNCCNC(=O)CN1C(=O)CCC1=O 1150473007 OQYIBRWNEDUQOO-UHFFFAOYSA-N 314.345 -0.087 30 20 DBED CCNC(=O)NC(=O)CN(CC)[C@H](C)CNC(=O)[C@H](C)C#N 1152449881 KSXMRBLTOXRRJE-GHMZBOCLSA-N 311.386 -0.182 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)c1cccc(O)n1 1156220192 INGSCRKQYXMSNU-LLVKDONJSA-N 304.350 -0.365 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)CC1OCCCO1 1157061057 VZHKRXIGXVACLE-GFCCVEGCSA-N 313.398 -0.074 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCCNCc1nnc2n1CCOC2 1157189181 HAHXZMIISIFEPM-OAHLLOKOSA-N 323.397 -0.269 30 20 DBED CN(CC#N)C[C@H]1CCCCN1C(=O)C1CC(=O)NC(=O)C1 1158605410 XKKVXAKXSXNJDC-GFCCVEGCSA-N 306.366 -0.124 30 20 DBED C=C(C)CCNCCCNC(=O)CNS(=O)(=O)N(C)C 1167422366 URSIKHWMJIYSRR-UHFFFAOYSA-N 306.432 -0.556 30 20 DBED C#CCNCC1(CCNC(=O)CCn2cc[nH]c(=O)c2=O)CC1 1167470997 NIFSQGQAJLGLLO-UHFFFAOYSA-N 318.377 -0.564 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)c1cnn(C)c1OC 1174738537 RFGZLIMIEWSYFI-NSHDSACASA-N 323.397 -0.171 30 20 DBED C#CCNCCCC[C@H](C)NC(=O)[C@H]1CCN(C)S1(=O)=O 1175644663 OZIWHBJCSUZHMK-QWHCGFSZSA-N 315.439 -0.082 30 20 DBED CC#CCN1CCO[C@H]2CCN(C(=O)COCCOC)C[C@@H]21 1176969953 QNDFKPBJXHDHTI-GJZGRUSLSA-N 310.394 -0.026 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)[C@@H](C)OCC#C)[C@H]1C 1178679096 YONPKHHIXUUQEF-MJBXVCDLSA-N 305.378 -0.647 30 20 DBED C#CCNCCCCCCNC(=O)C[C@H](NC(C)=O)C(N)=O 1179753185 GLSNRRIUVPCHNW-ZDUSSCGKSA-N 310.398 -0.734 30 20 DBED C#CCCN[C@H]1CCN(C(=O)CCS(=O)(=O)N(C)C)[C@H]1C 1180194404 XHGZRFQLONBOGU-STQMWFEESA-N 315.439 -0.130 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)CCOCC)[C@@H]2C1 1187246294 KEAWXMSIGAHZLJ-UONOGXRCSA-N 307.394 -0.305 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2cnn(C)c2)C1 1188803645 MOQYRUKFVUBIHC-CYBMUJFWSA-N 305.382 -0.131 30 20 DBED CCS(=O)(=O)CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)C#N)C1 1191880657 CSWPXLYIQOLDMM-QJPTWQEYSA-N 317.411 -0.868 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)c2nccn2CC)C1 1192495660 WJYRYRBZJFCYFX-CHWSQXEVSA-N 308.382 -0.120 30 20 DBED CCc1nc(CN2C[C@@H](O)[C@H](NC(=O)C#CC(C)C)C2)no1 1192722030 GYHPPWQKLVWBFK-VXGBXAGGSA-N 306.366 -0.047 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2ccc(CC)o2)C1 1194152051 PHKXSRUDJQYOTO-CHWSQXEVSA-N 319.361 -0.634 30 20 DBED C[C@@H]1C[C@H](C(=O)N2CCCN(CC(=O)NCC#N)CC2)CO1 1196340504 HTKLVQJLEZPXON-OLZOCXBDSA-N 308.382 -0.415 30 20 DBED C=CCCNC[C@@H]1CN(C(=O)CS(C)(=O)=O)CCCO1 1199998405 HLMLHXUKTCPJOL-GFCCVEGCSA-N 304.412 -0.186 30 20 DBED C#CCNC[C@H]1CN(C(=O)c2ccnn2CCOC)CCCO1 1200778581 SKTQZRSMCFJUEM-AWEZNQCLSA-N 320.393 -0.017 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCC(N[C@H](C)C(=O)NC)CC1 1201094092 MZAUOISNOULOTI-HIFRSBDPSA-N 320.437 -0.201 30 20 DBED C#CCOCCC(=O)N1CCC(CNCc2nnnn2C)CC1 1205258909 KTCSCRSWENCTAT-UHFFFAOYSA-N 320.397 -0.422 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)c2cn(C)cn2)[C@H](C)C1 1206869327 CFEQGBAPXRYTJS-VXGBXAGGSA-N 305.382 -0.228 30 20 DBED Cn1cc(C(=O)N2CCC[C@H](NCC(=O)NCC#N)C2)cn1 1207242742 QAAHEDVRYLLRRG-LBPRGKRZSA-N 304.354 -0.746 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)CCn2cncn2)C1 1207328687 KOKXVYQGDAKWSY-ZDUSSCGKSA-N 320.397 -0.449 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@@H](NCCC[C@H](C)O)C1 1207872152 LEMDOGJZNZCOOF-UONOGXRCSA-N 309.410 -0.133 30 20 DBED Cc1nc[nH]c1CC(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1210604747 NYFKVBXPHUQOSV-ZWNOBZJWSA-N 318.381 -0.663 30 20 DBED COCCOCCN1C[C@@H](NC(=O)C#CC2CC2)[C@H](OC)C1 1212246387 RTOHDGATKODMMB-HUUCEWRRSA-N 310.394 -0.122 30 20 DBED C=CCN1C[C@@H](NC(=O)CNC(=O)c2cscn2)[C@H](OC)C1 1213681889 XNKNPIVLOAJZIZ-ZYHUDNBSSA-N 324.406 -0.126 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)c2cn(C)nc2C)C[C@H]1C 1214346818 ICTZFFWQQFFURL-BXUZGUMPSA-N 317.393 -0.472 30 20 DBED C#CCOCCC(=O)N1C[C@@H](N[C@@H](C)c2nnnn2C)[C@H](C)C1 1214608692 FYVFTJYFASMECQ-FRRDWIJNSA-N 320.397 -0.253 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CCCNC2=O)C[C@H]1C 1214902363 LWIDQMCGVGNAHQ-FRRDWIJNSA-N 322.409 -0.749 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)C[C@@H](C)COC)C[C@H]1C 1216144929 ODODARTVPOHKEL-MGPQQGTHSA-N 309.410 -0.155 30 20 DBED CC(C)C#CC(=O)N1CCO[C@@H]2CN(CC(=O)N3CCC3)C[C@@H]21 1217843763 HXXQQWSGYWBDHX-LSDHHAIUSA-N 319.405 -0.210 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@H]2CCC(C)(C)C2)C1 1220305774 PJFCJWKMTUPUDR-MJBXVCDLSA-N 321.421 -0.277 30 20 DBED C=CCCN1CCC(CNC(=O)Cn2cnc(C(N)=O)n2)CC1 1223260173 WJARZHMIGDJSQY-UHFFFAOYSA-N 320.397 -0.219 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC(NC(=O)c2cc[nH]n2)CC1 1226127640 HGWNMCQPROQMHI-LLVKDONJSA-N 303.366 -0.258 30 20 DBED C#CCN[C@@H]1CCCC[C@H]1NC(=O)C(C)(C)NS(C)(=O)=O 1228990394 PLXPIRGRBFHODU-VXGBXAGGSA-N 315.439 -0.036 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C[C@H]1CCN1Cc1cnn(C)n1 1234214347 AFGOBZDTCRGGGQ-TZMCWYRMSA-N 305.382 -0.114 30 20 DBED C=CCN1CC[C@@H](N(C)CCCNC(=O)[C@H]2CCC(=O)N2)C1=O 1235745330 OQZKATZJGWDCMB-CHWSQXEVSA-N 322.409 -0.510 30 20 DBED C[C@]1(C(N)=O)CCN(C(=O)C(=O)NCC#Cc2ccccc2)C1 1256949518 XIPDIKFRRINXPV-KRWDZBQOSA-N 313.357 -0.122 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CC[C@@H](CN(C)C)C2)nn1 1261448691 BRDHEMJPWCBRMW-LBPRGKRZSA-N 320.397 -0.510 30 20 DBED C=CCNC(=O)Cn1nnnc1N1CC[C@H](COCCOC)C1 1262409977 PPWRKQYCNNCRAB-LBPRGKRZSA-N 324.385 -0.535 30 20 DBED CC(C)(O)CN1CCN(C(=O)C(=O)N2CCC[C@H](C#N)C2)CC1 1262511801 VOLIUCHSEOJTPV-CYBMUJFWSA-N 322.409 -0.336 30 20 DBED CCOC(=O)CCNC(=O)CCN/C(O)=C1\N=CC=CC1=O 1318860034 KNSNMCSONUJVMH-BUHFOSPRSA-N 309.322 -0.028 30 20 DBED C=CCN(CCOC)C(=O)C(=O)NC[C@@H]1COC(C)(C)O1 1323306239 XSLQKRBHPUACJH-LLVKDONJSA-N 300.355 -0.085 30 20 DBED CN(C)c1ncncc1NC(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1326833521 YKYHATSFXVOWNR-AWEZNQCLSA-N 318.337 -0.642 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)NCC1CCS(=O)(=O)CC1 1327227873 SCBLSPUTDHRRJU-LLVKDONJSA-N 318.395 -0.755 30 20 DBED C=CCN(C(=O)C(=O)NCc1cc(C(N)=O)no1)[C@H](C)COC 1328057903 ZLOMQNDKXZIQNF-SECBINFHSA-N 324.337 -0.561 30 20 DBED CCN(C)C(=O)[C@@H](C)NC(=O)C(=O)Nc1cccc(C#N)n1 1328223806 MDLSQSQRWAWPOZ-SECBINFHSA-N 303.322 -0.125 30 20 DBED CC(=O)N1CCN(CCNC(=O)[C@@H](N)CCCCC#N)CC1 1329099275 HXMIXTJKINGKLZ-AWEZNQCLSA-N 309.414 -0.322 30 20 DBED Cn1c(N2CCOCC2)nn(CN2CCOC[C@@H]2C#N)c1=S 1329580436 BNJPSMZYJXDOBX-NSHDSACASA-N 324.410 -0.030 30 20 DBED C=CCC1(O)CCN(C(=O)C(=O)NC[C@]2(C)CCC(=O)N2)CC1 1333877498 CIYPFKXGMGRHSR-HNNXBMFYSA-N 323.393 -0.299 30 20 DBED C#C[C@H](C)NC(=O)Cn1nc(C(=O)N[C@H](C)C#C)ccc1=O 1338449733 SWDOVDLJOYSKCZ-WDEREUQCSA-N 300.318 -0.867 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)Nc2ccn(CC(F)F)n2)CCO1 1340170499 JPXQEPWKQZSQOP-MRVPVSSYSA-N 313.264 -0.162 30 20 DBED C=CCN1CCC(NC(=O)C(=O)NCC(=O)N2CCCC2)CC1 1341881499 AFSLWNRYLZSIQF-UHFFFAOYSA-N 322.409 -0.508 30 20 DBED C=CCn1c(C[C@@H](C)O)nnc1N1CCO[C@@H](C(=O)OC)C1 1342132466 YMRXVOARVSFYIQ-GHMZBOCLSA-N 310.354 -0.234 30 20 DBED CC(C)OCC(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1 1343337081 WLDWWDUIOHAPJS-JTQLQIEISA-N 302.352 -0.623 30 20 DBED C#CCNC(=O)[C@@H](C)OC(=O)[C@H]1CC12CCS(=O)(=O)CC2 1343982231 SBOGYXMIMDTSST-GHMZBOCLSA-N 313.375 -0.118 30 20 DBED COCCN(C(=O)[C@H](N)CCCC#N)[C@H]1CCS(=O)(=O)C1 1345482388 AONAUABSVQBYGK-NWDGAFQWSA-N 317.411 -0.330 30 20 DBED CCN(C(=O)C(=O)N1CCC[C@H](CC#N)C1)[C@@H]1CCNC1=O 1346980967 OGUMYZYEZXNWFP-VXGBXAGGSA-N 306.366 -0.124 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N1CCC[C@H](S(C)(=O)=O)C1 1347039100 MAGUATMMNGTWBW-QWRGUYRKSA-N 318.395 -0.661 30 20 DBED C=CCn1c([C@H]2CCNC(=O)C2)nnc1N1CCNC(=O)C1 1351860455 IMIDGDGBZNGKNO-JTQLQIEISA-N 304.354 -0.606 30 20 DBED COC(=O)[C@@](C)(NC(=O)Cn1cc(C#N)c(O)nc1=O)C1CC1 1361987386 FMLBCXGSADAIOE-AWEZNQCLSA-N 320.305 -0.722 30 20 DBED N#Cc1ccnc(C(=O)N2CCS(=O)(=O)[C@H]3COCC[C@@H]32)c1 1362537485 TZFDCBRISAMPTP-STQMWFEESA-N 321.358 -0.019 30 20 DBED CS(=O)(=O)NC(=O)CCNC(=O)c1csc(C#N)c1 1362570559 SUBXOZJGMLMELI-UHFFFAOYSA-N 301.349 -0.185 30 20 DBED C[C@@H](C(=O)N1CCN(Cc2cn[nH]c2)CC1)n1cnc(C#N)n1 1363090687 MLVBCCJCFJRQBT-NSHDSACASA-N 314.353 -0.222 30 20 DBED C[C@@H]1C[C@@H]1N1C[C@H](Nc2[nH]c(=O)n(C)c(=O)c2C#N)CC1=O 1363744811 WNTJCMYIUHSNRN-MRTMQBJTSA-N 303.322 -0.634 30 20 DBED CNC(=O)NC(=O)[C@@H](C)N1CCC(N(C)C(=O)[C@@H](C)C#N)CC1 1369761097 VMMNFVVJSGVSEI-WDEREUQCSA-N 323.397 -0.087 30 20 DBED C[C@H](C#N)C(=O)N(C)CCN1CCN(C(=O)c2cc[nH]n2)CC1 1374447177 OOTFNQKVKYYVKY-GFCCVEGCSA-N 318.381 -0.214 30 20 DBED CNC(=O)c1ccc(CNC[C@H](O)CNC(=O)[C@@H](C)C#N)cc1 1374588224 DIQFWDYHKNQRRY-FZMZJTMJSA-N 318.377 -0.227 30 20 DBED CNC(=O)NCCC(=O)N1CCC[C@H]1CN(C)C(=O)[C@@H](C)C#N 1380226977 GVXXPTFTIPUMQW-RYUDHWBXSA-N 323.397 -0.085 30 20 DBED Cc1cc(C(=O)N[C@H](C)CNC(=O)[C@H](C)C#N)ncc1C(N)=O 1387085759 MBFAZJNVCDYFSS-NXEZZACHSA-N 317.349 -0.117 30 20 DBED C[C@@H](C#N)C(=O)NC[C@]1(C)CCN(C(=O)Cn2ncnn2)C1 1394403285 ZBAFRTXJDDGXTC-GWCFXTLKSA-N 305.342 -0.812 30 20 DBED CCN(CCNC(=O)CCn1ncn(C)c1=O)C(=O)[C@H](C)C#N 1398115741 DPCYEFHJMHJIPO-LLVKDONJSA-N 322.369 -0.904 30 20 DBED C[C@@]1(O)CCCN(C(=O)CCn2cc(C#N)c(O)nc2=O)C1 1411932572 NPOLKIOVOCOGDF-CQSZACIVSA-N 306.322 -0.416 30 20 DBED C[C@@H]1[C@H](N(C)C)CCN1C(=O)CCn1cc(C#N)c(O)nc1=O 1417881235 HXSHIBRYZDCJTG-ZYHUDNBSSA-N 319.365 -0.238 30 20 DBED N#Cc1ccc(CNC[C@@H](O)CNC(=O)[C@@H]2CCC(=O)N2)s1 1420192044 HQKCLXFWQCPDQM-SKDRFNHKSA-N 322.390 -0.535 30 20 DBED CC(=O)N1CC(C(=O)N[C@H](C)CNC(=O)c2ccc(C#N)[nH]2)C1 1430508591 ZLMWUZMWIBFXAX-SECBINFHSA-N 317.349 -0.401 30 20 DBED CCCn1cc(C(=O)NC[C@@H](O)CNC(=O)[C@H](C)C#N)nn1 1433332491 FFWSCIPBYMSGCJ-ZJUUUORDSA-N 308.342 -0.945 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)CCc1cncs1 1433338034 PJZRSGNONGPCJN-VHSXEESVSA-N 310.379 -0.171 30 20 DBED Cn1c(=O)[nH]c(N[C@@H]2COc3ccccc3[C@@H]2O)c(C#N)c1=O 1434443931 DUKWJHGKUJPZQA-PWSUYJOCSA-N 314.301 -0.148 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](C1CC1)N(C)C(=O)Cn1cnnn1 1450797804 GJQDRRUSYXQMIC-GXSJLCMTSA-N 305.342 -0.814 30 20 DBED CC(=O)NCC(=O)NCC1(NC(=O)c2cc(C#N)c[nH]2)CC1 1453296823 ZQVBJHNAHXDZOF-UHFFFAOYSA-N 303.322 -0.599 30 20 DBED C[C@H](C#N)C(=O)NC[C@@]1(C)CCN(C(=O)Cc2nc[nH]n2)C1 1459544997 LSYRMVAVXJIJTQ-QMTHXVAHSA-N 304.354 -0.138 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](CNC(=O)CNC(=O)C1CC1)C1CC1 1493487709 MYUVSJBCYNFCPS-JOYOIKCWSA-N 306.366 -0.317 30 20 DBED CCN(C(=O)CN1CCOCC1)[C@@H]1CCN(C(=O)[C@H](C)C#N)C1 1498808409 CHCSQJBHQRIJIA-ZIAGYGMSSA-N 322.409 -0.072 30 20 DBED C[C@@H](C#N)C(=O)NC1CN(C(=O)c2cnc(N(C)C)cn2)C1 1530617036 JAWOSKZDZQKOPR-VIFPVBQESA-N 302.338 -0.357 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1cnn2cc[nH]c12 1533309577 UCBZUIYPYNTALC-RKDXNWHRSA-N 304.310 -0.971 30 20 DBED C=C(Br)CN[C@@H](CO)CNC(=O)CNC(=O)O 1573314094 XBALDIHWOCFCEA-SSDOTTSWSA-N 310.148 -0.771 30 20 DBED C#CC[C@]1(C(=O)NCCCCn2cc(C(N)=O)nn2)CCCN1 1574517987 SMJYCQFVBLRXNP-OAHLLOKOSA-N 318.381 -0.581 30 20 DBED C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CCO[C@H]2CN)n1 1574760424 YIYBLPOIBXUVSD-GJZGRUSLSA-N 320.393 -0.145 30 20 DBED COC[C@H]1CN(c2cnc(C#N)c(-c3nn[nH]n3)n2)C[C@@H](C)O1 1579746577 AHZABLJEFHREEX-RKDXNWHRSA-N 316.325 -0.232 30 20 DBED N#C[C@H]1CN(S(=O)(=O)c2ccc(-c3nn[nH]n3)cn2)CCO1 1581857341 YGMIEMFYCPYGMS-VIFPVBQESA-N 321.322 -0.825 30 20 DBED C#CCCS(=O)(=O)NC(=O)c1ncc(-c2nn[nH]n2)cc1C 1588347838 XPCMVGSEPMIFHI-UHFFFAOYSA-N 320.334 -0.347 30 20 DBED C=CC[C@H](CO)NC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)cn1 1588545442 HAFBFJSGVFXSPD-SECBINFHSA-N 317.309 -0.747 30 20 DBED C=C[C@@H](O)C(=O)Nc1ccc(C(=O)O)cc1OCC(=O)NC 1588706245 XBBWDGWKBQQJIH-SNVBAGLBSA-N 308.290 -0.005 30 20 DBED N#CCNC[C@H]1CCCN1C(=O)Cn1nc2ccccn2c1=O 1732327885 KRPAYJDXJPGIAN-GFCCVEGCSA-N 314.349 -0.400 30 20 DBED C#CCCN1CC[C@H](CNC(=O)CN2CCC(=O)NC2=O)C1 1753137904 OVBPJGYXTQFHTA-GFCCVEGCSA-N 306.366 -0.610 30 20 DBED CN(CCN1CCN(CC#N)CC1)C(=O)[C@@H]1CCNC(=O)C1 1753342331 QLLOECYWZZNSIT-CYBMUJFWSA-N 307.398 -0.888 30 20 DBED C#CCNC(=O)[C@H](C)N1CC(NC(=O)c2cnc(Cl)n2C)C1 1753382818 KIPQVVXWVBYILD-VIFPVBQESA-N 323.784 -0.375 30 20 DBED CN(C(=O)c1csc(O)n1)[C@H]1CCN(CC(=O)NCC#N)C1 1753441517 KWTIWGVBQRBYPY-VIFPVBQESA-N 323.378 -0.365 30 20 DBED COCC#CCNC[C@H](C)NC(=O)[C@H](C)CS(C)(=O)=O 1754296254 GXWOQCKYWSKNFV-NEPJUHHUSA-N 304.412 -0.589 30 20 DBED C=C(C)CN1C[C@H]2C[C@H]1[C@@H]2NC(=O)CS(=O)(=O)CCOC 1754424662 AWFXVBSQBPDQQG-MBNYWOFBSA-N 316.423 -0.187 30 20 DBED C=CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)CCS(=O)(=O)N(C)C 1754431216 GLPMBNOXTYRERT-NTZNESFSSA-N 301.412 -0.357 30 20 DBED C=CCNC(=O)CN1CC[C@@H]1CNC(=O)Cc1n[nH]c(C)n1 1754483581 KPQPTVISZOSVTO-LLVKDONJSA-N 306.370 -0.852 30 20 DBED Cc1nnccc1C(=O)NC[C@@H]1CCN1CC(=O)NCC#N 1754489200 SJLPSRINYVVXNR-NSHDSACASA-N 302.338 -0.771 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC(N(C)C(=O)Cn2cc(C)cn2)C1 1754570837 HOFYEANYKPAESQ-CYBMUJFWSA-N 317.393 -0.528 30 20 DBED CC(C)(C)C#CC(=O)NCC1(O)CN([C@@H]2CCC(=O)NC2=O)C1 1754768041 YIEKYXXPKDBDAG-LLVKDONJSA-N 321.377 -0.996 30 20 DBED COCC1(C(=O)N2CC[C@@H]([C@@H](C)NCC(=O)NCC#N)C2)CC1 1754801350 OLGHMRVYOFTMCG-CHWSQXEVSA-N 322.409 -0.121 30 20 DBED C#CCN1CCC[C@](CO)(NC(=O)c2cn(C)c(C)cc2=O)C1 1754856062 CHFMMLVJPOMXIO-KRWDZBQOSA-N 317.389 -0.116 30 20 DBED C#CCNC(=O)CNCC[C@@H]1CCN(C(=O)Cc2cnoc2)C1 1754927182 BANLJOUANZPACT-CYBMUJFWSA-N 318.377 -0.205 30 20 DBED N#CCNC(=O)CNC[C@H]1CN(C(=O)C2=COCCC2)CCO1 1754995008 FHTMYQWUQVILNI-ZDUSSCGKSA-N 322.365 -0.863 30 20 DBED CC#CCN[C@@]1(CO)CCCN(C(=O)[C@@H](C)n2cncn2)C1 1755084716 RCMGCCOPLOBXPW-HIFRSBDPSA-N 305.382 -0.195 30 20 DBED C#CCN[C@@H](C)[C@H](C)NC(=O)Cn1[nH]cc2c(=O)ncnc1-2 1755260485 QLZQADYLEFVDCP-UWVGGRQHSA-N 302.338 -0.813 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(CNC(=O)c3ncn(C)n3)[C@@H]2C1 1755420696 NNSUGXNQHCIEPO-RYUDHWBXSA-N 318.381 -0.975 30 20 DBED C=CCNC(=O)CN[C@H](C)CN(C)C(=O)c1cn(CC)nn1 1755611443 PNVXCSHGSVZQCX-LLVKDONJSA-N 308.386 -0.350 30 20 DBED C[C@H](CN(C)C(=O)c1ncccc1F)NCC(=O)NCC#N 1755611908 WTJUKDWDLKMLSJ-SNVBAGLBSA-N 307.329 -0.089 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H](CO)CNC(=O)C1CC(F)(F)C1 1755626623 JNYMSKFZSOSUQJ-GXSJLCMTSA-N 319.352 -0.211 30 20 DBED C#CCCN[C@H]1C[C@@H](C)N(C(=O)CN2CCC(=O)NC2=O)C1 1755691019 RSWAPTSPHAWQJA-NEPJUHHUSA-N 306.366 -0.469 30 20 DBED CCS(=O)(=O)NCC(=O)N[C@@]12CCC[C@@H]1N(CC#N)CC2 1755700860 HINLTWPCHPFRAZ-WCQYABFASA-N 314.411 -0.438 30 20 DBED O=C(C#CC1CC1)NCC1[C@@H]2CN(C(=O)Cc3nc[nH]n3)C[C@@H]12 1756197039 GOUYEGRMGOFKEZ-STQMWFEESA-N 313.361 -0.419 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H](C)CN(C)C(=O)C1=COCCO1 1756427503 LKMLZKWXKVLGSD-NWDGAFQWSA-N 310.350 -0.124 30 20 DBED COC(=O)CCN(CC(=O)O)S(=O)(=O)c1occc1C#N 1777105553 XXQWWYKSQYMWPU-UHFFFAOYSA-N 316.291 -0.210 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccnn1C)CCO2 1783048360 ZGEFHAWCXPFJQR-HNNXBMFYSA-N 302.334 -0.503 30 20 DBED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)CCN3CCCC3)C2)C1 1785676831 XYKPZUZWVLVEHH-QGZVFWFLSA-N 319.405 -0.065 30 20 DBED C=CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NC(C)=O)C2 1801001408 MPJYSFYXXUUPLE-DNVSUFBTSA-N 323.393 -0.323 30 20 DBED C#CCCC(=O)N1CCCC12CN(C(=O)Cn1ccnn1)C2 1846995661 DOKJTFYSLHTPNE-UHFFFAOYSA-N 301.350 -0.105 30 20 DBED N#Cc1c(F)cccc1S(=O)(=O)N[C@@H](CC(N)=O)C(=O)O 70393952 LZHHBZPJZMIWDV-QMMMGPOBSA-N 315.282 -0.696 30 20 DBED C[C@H]1CN(S(=O)(=O)N2CCN(CCC#N)CC2)C[C@@H](C)O1 78518781 NUCIFXWKCJCWNH-BETUJISGSA-N 316.427 -0.128 30 20 DBED CCOC(=O)C[C@H](C)CNc1c(C#N)c(=O)n(C)c(=O)n1C 89650352 BKIJHKSAOHOVPV-VIFPVBQESA-N 308.338 -0.043 30 20 DBED N#C[C@H]1CN(C(=O)c2nc(=O)[nH][nH]2)CCN1Cc1ccccc1 114558209 RSEYVTHDFDFXAW-LBPRGKRZSA-N 312.333 -0.052 30 20 DBED CS(=O)(=O)N1CC[C@@H](C/N=C(\N)N2CCSCC2)C1 133832262 BOPMTFGZUMADEB-JTQLQIEISA-N 306.457 -0.369 30 20 DBED Cn1c(N2CC[C@H]3OCCC[C@@H]3C2)c(C#N)c(=O)n(C)c1=O 152410451 FTDBKYBEYRZAIS-ZYHUDNBSSA-N 304.350 -0.039 30 20 DBED CN(CCC#N)S(=O)(=O)NCCn1cc([N+](=O)[O-])cn1 152845703 HLROYWLZYCEPBO-UHFFFAOYSA-N 302.316 -0.529 30 20 DBED CCNS(=O)(=O)CCNS(=O)(=O)c1ccc(C#N)nc1 225241751 XCZVKHKVYCGPIM-UHFFFAOYSA-N 318.380 -0.829 30 20 DBED C[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C(N)=O 268755805 XMVRMPBCLYKYTE-RKDXNWHRSA-N 324.362 -0.785 30 20 DBED CCOC(=O)N1CCN(C(=O)Cn2cncc(C#N)c2=O)CC1 289337792 ITQZVPBUHKDILQ-UHFFFAOYSA-N 319.321 -0.584 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@H]3CNC[C@H]3C2)C1=O 290075711 INMQNELASKVBFN-QWRGUYRKSA-N 320.349 -0.969 30 20 DBED OC1=NC[C@@H]2CN(/C(O)=N/CCN3CCSCC3)CCN12 329774061 LVYSKSYWTNOVLB-LLVKDONJSA-N 313.427 -0.137 30 20 DBED CCS(=O)(=O)N1CCN(/C(O)=N/[C@@H]2CC[S@@](=O)C2)CC1 330009594 GIFQHSVVBGBEGT-GIGQVBGESA-N 323.440 -0.611 30 20 DBED CCCNC(=O)CN/C(O)=N/C[C@@H]1CCN(S(C)(=O)=O)C1 330409630 IQEMAMNPVJZSFO-JTQLQIEISA-N 320.415 -0.702 30 20 DBED CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N1CCN(C(=O)[C@H](C)O)CC1 330582738 RDQVVACJVFWXML-HEHGZKQESA-N 324.425 -0.046 30 20 DBED N#C[C@H]1CN(C(=O)CNC(=O)c2ccc3c(c2)OCO3)CCO1 332083133 BFKJVUYLBCWABO-NSHDSACASA-N 317.301 -0.104 30 20 DBED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCOC[C@H](O)C2)CC1 332340970 POESCZHAHOPWOF-HUUCEWRRSA-N 324.425 -0.628 30 20 DBED CCO[C@@H]1C[C@H](NC(=O)NCC(=O)NCC#N)[C@@]12CCCO2 376523763 WUKWIOVINZTKQK-WDMOLILDSA-N 310.354 -0.348 30 20 DBED CCS(=O)(=O)N1CCC[C@H](C(=O)N2CCO[C@H](C#N)C2)C1 408094171 GIAUZGDUNLUNCQ-NWDGAFQWSA-N 315.395 -0.201 30 20 DBED C[C@H]1CN(CCN(C)C(=O)Cn2cnc(C#N)n2)C[C@@H](C)O1 447657293 QMZGFUXZJOZQQT-TXEJJXNPSA-N 306.370 -0.283 30 20 DBED C[C@@H](CN1CCOCC1)NC(=O)C(=O)Nc1cccc(C#N)n1 519768910 LRHBZIANSJQWRI-NSHDSACASA-N 317.349 -0.271 30 20 DBED Cn1c(=O)nc(O)c2cc(S(=O)(=O)NC3(C#N)CC3)cnc21 535135244 SFCMFTXVTICTFF-UHFFFAOYSA-N 321.318 -0.631 30 20 DBED CC[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1cc(C)c(C#N)cn1 578377627 UXPORHRIYHYSMR-LLVKDONJSA-N 315.333 -0.063 30 20 DBED C[C@@H]1O[C@H](C)C[C@@H]1CNC(=O)C(=O)N1CCN(CCC#N)CC1 602277858 XWXQPYNLZOYCQB-HZSPNIEDSA-N 322.409 -0.026 30 20 DBED CN(C)S(=O)(=O)N1CCN(C(=O)C2(C#N)CCC2)CC1 609854784 DJXKEDWGEKXQAK-UHFFFAOYSA-N 300.384 -0.369 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N1CCN(C(C)(C)CO)CC1 610481279 WQNRAIMYYMGWEM-GFCCVEGCSA-N 312.414 -0.225 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@H](CO)CC1CC1 619712589 DPVACASTEMYNPK-LBPRGKRZSA-N 305.400 -0.156 30 20 DBED C=CCNC(=O)CNC(=O)c1cc(S(N)(=O)=O)ccc1C 679121129 XOFLZSDFNOEJFJ-UHFFFAOYSA-N 311.363 -0.326 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)NCCC)C1=O 726043285 ULCXVDYBFUGIKP-UHFFFAOYSA-N 311.294 -0.967 30 20 DBED N#Cc1ccc(CC(=O)NS(=O)(=O)N2CCOCC2)cc1 750732613 XJYFGABTJLQFNY-UHFFFAOYSA-N 309.347 -0.206 30 20 DBED CC(C)(C#N)COC(=O)CN1CCN(S(C)(=O)=O)CC1 778714536 RVLVJCQJRNSBDQ-UHFFFAOYSA-N 303.384 -0.343 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N1CC(=O)N(C)C[C@H]1C 782604334 YGPVAWJLIBDSBT-SNVBAGLBSA-N 303.384 -0.541 30 20 DBED C=CCN1CC[C@H](OC(=O)[C@@H](NC(=O)C2CC2)[C@H](C)O)C1=O 798629231 GTTBCXFDHMLFCU-DLOVCJGASA-N 310.350 -0.408 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C[C@H]2SC(=N)NC2=O)C1=O 799026886 PURPDGWLGXCFNR-RKDXNWHRSA-N 310.379 -0.212 30 20 DBED CCN(CCC#N)S(=O)(=O)N(CCOC)CCC(=O)OC 800053074 SHPRLMIDRYIZMV-UHFFFAOYSA-N 321.399 -0.022 30 20 DBED C=C[C@H](O)C(=O)O[C@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 814545417 OAVSUTOIEWWXIP-BBBLOLIVSA-N 305.352 -0.890 30 20 DBED N#CC1CN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 817554287 MXFKNUJBKOOTHS-UHFFFAOYSA-N 304.331 -0.293 30 20 DBED C=CCOCCNS(=O)(=O)c1ccc(-c2nn[nH]n2)nc1 823925935 ROVSUSNMHISXRH-UHFFFAOYSA-N 310.339 -0.257 30 20 DBED C#CCN(CC#CC)C(=O)CNS(=O)(=O)c1cccnc1 828825828 YOFMGMFJLRDJRR-UHFFFAOYSA-N 305.359 -0.155 30 20 DBED Cc1cc(C(=O)N[C@@H]2CNC[C@@H]2C#N)ccc1S(N)(=O)=O 843458858 ANQWIWYWVQMSRW-WDEREUQCSA-N 308.363 -0.516 30 20 DBED CC#CC[C@H](CO)NC(=O)C1=CC=CN2CCS(=O)(=O)N=C12 844118030 KGNYOTVMQNOSHD-LLVKDONJSA-N 323.374 -0.626 30 20 DBED C#CCN(CC)C(=O)CS(=O)(=O)CC(=O)N(CC)CC#C 847382986 GPGNTZNVLAIVJK-UHFFFAOYSA-N 312.391 -0.635 30 20 DBED C#CC1(O)CN(C(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)C1 890519033 CCRDRFZHVGTOMI-UHFFFAOYSA-N 320.370 -0.053 30 20 DBED COCCNC(=O)[C@@H](C#N)C(=O)[C@@H](C)NC(=O)c1ccoc1 916890734 LOVNZXMVWNVHHQ-KOLCDFICSA-N 307.306 -0.131 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H]2CCN(C(=O)c3cnon3)C2)c1 937795835 ISDNXYNBJCFOCP-VIFPVBQESA-N 300.278 -0.086 30 20 DBED CC(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)[C@H](C)C#N)C1 938138944 AIEQEPMFOOJNHF-KGYLQXTDSA-N 306.366 -0.126 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C2CN(CCn3cncn3)C2)CC1 941349187 WEHABYPJQVTGMS-ZDUSSCGKSA-N 317.397 -0.734 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CNC(=O)[C@@H]2COC(=O)N2)CC1 949390461 GDOOBLUUVLYUFP-KOLCDFICSA-N 308.338 -0.391 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H](NC(=O)c2nnc(O)nc2O)C1 951868296 RVTRIURZPZBRPG-SFYZADRCSA-N 320.309 -0.837 30 20 DBED NC(=O)CC(=O)N1C[C@@H]2CCC[C@H](C1)N2C(=O)C#CC1CC1 952683225 NQUXABQAXFQJSF-BETUJISGSA-N 303.362 -0.133 30 20 DBED CC(C)Oc1cnc(C(=O)NC[C@@H]2CN(CC#N)C[C@H]2O)cn1 958068997 KQCKZBPGIRZMDC-DGCLKSJQSA-N 319.365 -0.190 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](CNC(=O)c2cn(C)c(=O)cn2)C1 958271599 HEACEYQHNQDRJK-YPMHNXCESA-N 306.366 -0.621 30 20 DBED C=CCN1C[C@@H](O)[C@@H](CNC(=O)c2cc3ncccn3n2)C1 958507749 WEVAIEOTAIZHOR-WCQYABFASA-N 301.350 -0.062 30 20 DBED C#CCCN1C[C@H](O)[C@H](CNC(=O)c2c3c(nn2C)CCC3)C1 958588010 OASKGQSDDFGBKD-DOMZBBRYSA-N 316.405 -0.045 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2noc3c2COCC3)C1 958725003 UYFPCIVLCAUXKO-CMPLNLGQSA-N 305.334 -0.597 30 20 DBED N#Cc1cc(C(=O)N2CC[C@H]3[C@@H]2CCCN3C(=O)C(N)=O)c[nH]1 963513070 OWLHAENVWIUBEM-RYUDHWBXSA-N 315.333 -0.423 30 20 DBED C#CCNC1CCC(N(C)C(=O)c2nnc(O)nc2O)CC1 963633301 RDJDRGFAMRGAIS-UHFFFAOYSA-N 305.338 -0.111 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC2(CN(C(=O)c3cnn(C)c3)C2)C1 965471675 JYOCVRVCBQULSB-NSHDSACASA-N 317.349 -0.367 30 20 DBED C[C@H](C#N)C(=O)N1CC2(C[C@@H](NC(=O)C3=COCCO3)CO2)C1 965603807 ALXPZLJQTNHDPZ-GHMZBOCLSA-N 321.333 -0.480 30 20 DBED C[C@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)CN1CCOCC1)C2 969807721 UVSIMLDQAHRKML-RDBSUJKOSA-N 320.393 -0.320 30 20 DBED C[C@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)[C@@]1(C)CCNC1=O)C2 969812293 XKXPNSYCPZRVBI-YRORDHRNSA-N 318.377 -0.126 30 20 DBED N#CCN1CCO[C@@]2(CCN(C(=O)C[C@@H]3COC(=O)C3)C2)C1 972341214 BOBZKSWEONWPBJ-WFASDCNBSA-N 307.350 -0.234 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)[C@@H]3COCCN3CC)C2)C1 972440422 FRTHHNQTHWQZIV-RDJZCZTQSA-N 321.421 -0.356 30 20 DBED C=C(C)CN1C[C@H]2[C@H](CNC(=O)c3cn(C)c(=O)nc3O)[C@H]2C1 979078690 YTTCGKSVXLANCF-CNDDSTCGSA-N 318.377 -0.030 30 20 DBED CN1C(=O)CC[C@H]1C(=O)N1CC(NC(=O)c2ccc(C#N)[nH]2)C1 990868549 LWQBSPPXEHBHOF-LBPRGKRZSA-N 315.333 -0.552 30 20 DBED Cc1nnc(CC(=O)N2CC(NC(=O)c3ccc(C#N)[nH]3)C2)o1 990888727 UMUMUAHRPGZJPQ-UHFFFAOYSA-N 314.305 -0.239 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@@H](NC(=O)c2nnn(C)n2)[C@@H](O)C1 991668527 CJJYDNLLWDJUKG-ZJUUUORDSA-N 322.369 -0.886 30 20 DBED C[C@H]1[C@@H](NC(=O)Cn2ccc(O)nc2=O)CCCN1CC#N 993570905 QBCBSECMVCXSKH-QWRGUYRKSA-N 305.338 -0.558 30 20 DBED C[C@H](C#N)C(=O)N1CC(CNC(=O)c2ccnc3[nH]nnc23)C1 1003418844 PQDWBACYLUKATE-MRVPVSSYSA-N 313.321 -0.299 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@H](C)[C@@H](NC(=O)C(N)=O)C2)nc1 1005217948 PLHXHFIFMIFYFE-GWCFXTLKSA-N 314.345 -0.485 30 20 DBED N#Cc1ccc(C(=O)N2CCN(C(=O)Cc3nc[nH]n3)CC2)[nH]1 1011019796 JBKMHAXQDULJLT-UHFFFAOYSA-N 313.321 -0.468 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)C2CC3(C2)NC(=O)NC3=O)C1 1015830980 IWEKVDMADICTKB-VTWZXRTESA-N 306.366 -0.259 30 20 DBED C#CCOc1ncccc1C(=O)N[C@H]1CCN([C@@H](C)C(N)=O)C1 1016012522 DMFTUVHVHOZLFJ-RYUDHWBXSA-N 316.361 -0.229 30 20 DBED CC#CCN1CCC2(CC1)C[C@@H]2NC(=O)Cn1c(O)nnc1O 1016946722 FUEQMNGZSVNSJI-NSHDSACASA-N 319.365 -0.317 30 20 DBED C=CCN1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CCCS1(=O)=O 1017601658 KAJGZIFOBSKPAO-BETUJISGSA-N 313.423 -0.117 30 20 DBED N#CCN1CC[C@H]2[C@H](CCCN2C(=O)C2CC(=O)NC(=O)C2)C1 1021690694 KFGVPFNDEYXYMT-YPMHNXCESA-N 318.377 -0.124 30 20 DBED C#CCN1CCC[C@@H](CNC(=O)[C@@H]2CN(C(C)=O)CCO2)C1 1023729209 JNUTTYNQXACABJ-GJZGRUSLSA-N 307.394 -0.305 30 20 DBED C=CCN[C@@H]1CC[C@@H]2CN(C(=O)CN3CCOCC3=O)C[C@@H]21 1026284990 HJZMRHLXLSGWPT-HZSPNIEDSA-N 307.394 -0.142 30 20 DBED CN(CC#N)[C@@H]1CCCN(C(=O)CN2CCC(=O)NC2=O)C1 1027640675 ZOTLWZKMNXHSOP-LLVKDONJSA-N 307.354 -0.625 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)c3cn(C)cn3)C2)C1=O 1030219263 UJSKTKVVCWCEFT-CYBMUJFWSA-N 303.366 -0.379 30 20 DBED CC[C@H](C(N)=O)N1CCO[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1 1035332058 UBJBMCFEJNMROF-DGCLKSJQSA-N 319.365 -0.419 30 20 DBED C#CCCN1CCO[C@@H](CNC(=O)c2c(C)ncnc2O)C1 1035482931 BJSLOJPDKIKOFP-LBPRGKRZSA-N 304.350 -0.055 30 20 DBED C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1nnc(O)nc1O 1039401499 HNQQFMADGHXIJM-MNOVXSKESA-N 317.349 -0.015 30 20 DBED C[C@@H]1CN(C(=O)C(N)=O)C[C@@]1(C)CN=c1cc[nH]c(C#N)n1 1040348843 SPQVYXMCMVIFNP-YMTOWFKASA-N 302.338 -0.848 30 20 DBED C=CCCC(=O)N1CC[C@](O)(CNC(=O)[C@H]2CCC(=O)N2C)C1 1040642801 BNOOUXVAYHWZSM-WBMJQRKESA-N 323.393 -0.347 30 20 DBED C[C@@]1(C(=O)N[C@@H]2CN(c3cncc(C#N)n3)C[C@H]2O)CCOC1 1041147071 HSXYOHGMUFCTBR-LALPHHSUSA-N 317.349 -0.559 30 20 DBED CC(C)(C)C#CC(=O)N1CC(O)(CNC(=O)[C@@H]2COCCO2)C1 1041593748 KNTNVINSCKEZOY-LBPRGKRZSA-N 324.377 -0.859 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)CCOCC)C1 1042009721 SWHCRSDLBYPWJN-LBPRGKRZSA-N 312.366 -0.859 30 20 DBED C=CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)[C@@H](C)COC)C1 1042035684 RULSVUYQGJKNLC-NWDGAFQWSA-N 314.382 -0.451 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)c2ccc(F)cn2)C1 1042040812 YXFPEAOJFJSPCW-UHFFFAOYSA-N 323.324 -0.274 30 20 DBED C[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1NC(=O)[C@@H]1CCC(=O)N1 1042092998 DOYQPLVLDKWVGW-ADEWGFFLSA-N 314.349 -0.432 30 20 DBED C#CCN1CC[C@H]2CCN(C(=O)c3nnc(O)nc3O)C[C@@H]21 1042135377 UXHWOFMFYLSSKE-UWVGGRQHSA-N 303.322 -0.548 30 20 DBED C[C@@H]1C[C@H]1C(=O)N1CC(O)(CNC(=O)c2c[nH]c(C#N)c2)C1 1042666735 KKHJEMGKSTXXQK-BXKDBHETSA-N 302.334 -0.155 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)[C@H]2CCCN2C)C1 1042803253 VMZMVNKGUNVLJV-CYBMUJFWSA-N 307.394 -0.426 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)CCc2ncc[nH]2)C1 1042823974 URFARSZNWJKECW-SNVBAGLBSA-N 305.338 -0.809 30 20 DBED C=C(C)CCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCN(C)C2=O)C1 1043320628 XCKWZPCPMZWBRV-GFCCVEGCSA-N 323.393 -0.490 30 20 DBED O=C(NCC1(O)CN(C(=O)C#CC2CC2)C1)[C@H](F)C(F)(F)F 1043375513 LXCSURGYUCWWBM-JTQLQIEISA-N 322.258 -0.010 30 20 DBED C=CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)c2ccc[nH]2)C1 1043569527 XSJXFVYSDNNTFR-LLVKDONJSA-N 307.350 -0.091 30 20 DBED C=CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1043570185 GFZOQYBJLZBLEY-GFCCVEGCSA-N 306.362 -0.320 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)c3cncnc3)C2)nn1 1043917571 CTNXNTZCQAVQQJ-NEPJUHHUSA-N 311.305 -0.882 30 20 DBED N#Cc1cnccc1N1C[C@H](O)[C@H](NC(=O)c2ccncn2)C1 1044117864 NWJNZROOHSCBLQ-OCCSQVGLSA-N 310.317 -0.277 30 20 DBED N#Cc1nccnc1N1C[C@H](O)[C@H](NC(=O)Cc2ccco2)C1 1044129525 DAUAJIOIKXOVRV-OLZOCXBDSA-N 313.317 -0.150 30 20 DBED Cc1nn[nH]c1C(=O)NCC1(O)CN(C(=O)C#CC(C)C)C1 1044366261 BOWCCIIEWSSTGM-UHFFFAOYSA-N 305.338 -0.924 30 20 DBED CC1CCN(CC(=O)NCC2(O)CN(C(=O)[C@@H](C)C#N)C2)CC1 1045262478 UFXVVZMDAKOMDN-ZDUSSCGKSA-N 322.409 -0.433 30 20 DBED CCc1nc(C(=O)N2CC(O)(CNC(=O)[C@@H](C)C#N)C2)co1 1045541390 VSHJUYVXUYJNNH-VIFPVBQESA-N 306.322 -0.300 30 20 DBED N#CCN1CC[C@H](N2CCN(C(=O)c3ccc(O)nn3)CC2)C1 1045998657 BZKFSLKQCDFJHH-LBPRGKRZSA-N 316.365 -0.462 30 20 DBED C[C@H]1COCC[C@@H]1C(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1046225173 QXSYRVOAHDWRRK-JSGCOSHPSA-N 320.389 -0.238 30 20 DBED C=C1CC(C)(C(=O)NCC2(O)CN(C(=O)CN(C)C(C)=O)C2)C1 1046301426 GCIJAARXEVYLJG-UHFFFAOYSA-N 323.393 -0.490 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)Cc2cn(C)nc2Cl)C1 1047525723 RHIDDSQTLKEBHQ-RYUDHWBXSA-N 310.785 -0.247 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(C(N)=O)n2)C1 1047643871 WCUZKOSSBUOOAI-KBPBESRZSA-N 316.361 -0.679 30 20 DBED C=CCCC(=O)N(C)[C@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@@H]1O 1048527664 MDFYNEDERZUZDO-QWRGUYRKSA-N 309.366 -0.752 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C2(CN(C)C)CC2)C1 1049345149 QWFILCFWUROGMZ-AGIUHOORSA-N 322.409 -0.482 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1O 1049389243 VQVTZONAUSKMNC-XDTLVQLUSA-N 315.333 -0.310 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H]([C@@H](C)NC(=O)COCC)C1 1050489311 BFAZGALUGSDUCK-OLZOCXBDSA-N 323.393 -0.484 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)c1ccnc2[nH]nnc12 1051015281 FUTZHZUCTWPLQC-JTQLQIEISA-N 300.322 -0.583 30 20 DBED C#CCCN1CCOC[C@@H]1CNC(=O)c1cn(C)nc1OC 1051058129 PMBCOPZOBIBAJS-LBPRGKRZSA-N 306.366 -0.117 30 20 DBED CC(=O)NCC(=O)N1C[C@@H](C)[C@H](CNC(=O)C#CC(C)C)C1 1051823774 DCJQEDQOMXNYJF-TZMCWYRMSA-N 307.394 -0.007 30 20 DBED C=CCN1CCN([C@H]2CCN(C(=O)[C@@H]3CCN(C)C3=O)C2)CC1 1052066442 WBBVGNKLQDWGNY-LSDHHAIUSA-N 320.437 -0.131 30 20 DBED C#CCN1CCN([C@H]2CCN(C(=O)[C@@]3(F)CCOC3)C2)CC1 1052071562 VYKGUMVYMZGIPJ-GOEBONIOSA-N 309.385 -0.033 30 20 DBED C#CCN1CCN([C@H]2CCN(C(=O)[C@]3(C)CCC(=O)N3)C2)CC1 1052074194 WGFWBSQRFWHFRK-YOEHRIQHSA-N 318.421 -0.493 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)Cc3cnn(C)c3)CO2)C1 1053753515 RXPNNXVFWCAAQR-AWEZNQCLSA-N 302.378 -0.055 30 20 DBED N#Cc1cnc(N2CCN(C(=O)CN3CCCC3=O)CC2)cn1 1055724936 NDJOHUVHAIQGGL-UHFFFAOYSA-N 314.349 -0.381 30 20 DBED Cc1ncc(C(=O)N[C@]2(CO)CCCN(C(=O)[C@H](C)C#N)C2)[nH]1 1055835124 HCTOKAQRSWCTKX-MEBBXXQBSA-N 319.365 -0.039 30 20 DBED C[C@@H](C(=O)N1CCN(c2ccc(C#N)nn2)CC1)S(C)(=O)=O 1056071809 GGYZEBLJGRPXCS-JTQLQIEISA-N 323.378 -0.570 30 20 DBED CC(=O)N1CC(C(=O)N2CC[C@@H](Nc3cnc(C#N)cn3)C2)C1 1056618265 RPCIFMSAMJJPDX-GFCCVEGCSA-N 314.349 -0.161 30 20 DBED C#CCOCCC(=O)NCCN(CCO)C(=O)[C@H](C)SC 1057055612 DXDHENZUHLKJQC-LBPRGKRZSA-N 316.423 -0.285 30 20 DBED Cc1ccc(C(=O)N(CCO)CCNC(=O)C#CC(C)C)nn1 1057542201 AFAKNZVDZSGRDT-UHFFFAOYSA-N 318.377 -0.005 30 20 DBED CC(=O)N[C@H](C)C(=O)NC[C@H]1COCCN1C(=O)C#CC(C)C 1061252291 FKQLIDFVSMSWNS-OCCSQVGLSA-N 323.393 -0.486 30 20 DBED N#Cc1ccc(N2CCC[C@H]2CNC(=O)[C@@H]2COCCO2)nn1 1061298418 MFOWZPVMONCBLH-STQMWFEESA-N 317.349 -0.151 30 20 DBED C=CCCC(=O)NC[C@H]1COCCN1C(=O)c1cnn(C)c1N 1061405746 FEZYBUFHUSSAIH-NSHDSACASA-N 321.381 -0.074 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H]1COCCN1C(=O)c1cnco1 1061584397 GVVISAZEVIHPIJ-NWDGAFQWSA-N 321.333 -0.330 30 20 DBED C[C@H](C#N)C(=O)N1CCc2c(CNC(=O)C(N)=O)cccc2C1 1061947717 XFICXPBTPZZRCW-SNVBAGLBSA-N 314.345 -0.168 30 20 DBED Cn1ncc(C(=O)N2CCC[C@@H]2CN=c2cc[nH]c(C#N)n2)n1 1063499012 USVLSLBNWBBXFU-SNVBAGLBSA-N 312.337 -0.385 30 20 DBED N#Cc1nccnc1NC[C@@H]1CCCC[C@H]1NC(=O)C(N)=O 1064189231 PNSWVEANNWNOEM-VHSXEESVSA-N 302.338 -0.080 30 20 DBED Cc1c(C(=O)N[C@H]2[C@H]3C[C@H]2N(c2nccnc2C#N)C3)nnn1C 1064230392 ROWDWNSEXUGLMD-NDMJEZRESA-N 324.348 -0.208 30 20 DBED C#CCCCCC(=O)N1CCO[C@H](CNC(=O)CNC(N)=O)C1 1065060687 BGBOKWPZIFOPSG-GFCCVEGCSA-N 324.381 -0.808 30 20 DBED CNC(=O)CCCC(=O)N1CCO[C@@H](CNC(=O)[C@@H](C)C#N)C1 1065068542 KTBKJNFGAIKYAU-RYUDHWBXSA-N 324.381 -0.594 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CN(C(=O)C2(CN(C)C)CC2)CCO1 1065537370 OFZOKEFPWYRUGZ-STQMWFEESA-N 322.409 -0.169 30 20 DBED CN(C(=O)[C@@H]1CCOC1)[C@H]1CN(c2ccc(C#N)nc2)C[C@@H]1O 1065573507 ZEXQKLCABKCOMC-UGFHNGPFSA-N 316.361 -0.002 30 20 DBED C[C@H](C#N)C(=O)N(C)CCCN(C)C(=O)C[C@@H]1CCNC1=O 1067593015 UKWGVDALUONOMY-NEPJUHHUSA-N 308.382 -0.021 30 20 DBED N#Cc1cccnc1N1C[C@@H](O)[C@@H](CNC(=O)c2ccncn2)C1 1067675856 IQHIXTMHAYKZPT-GXTWGEPZSA-N 324.344 -0.030 30 20 DBED N#Cc1nccnc1NCC1CC(NC(=O)[C@@H]2CCNC2=O)C1 1067876731 WHZRKJHSVKTTMP-VQXHTEKXSA-N 314.349 -0.209 30 20 DBED C#CCO[C@H](C)C(=O)N1CC2(CN(C(=O)[C@@H](C)OC)CCO2)C1 1068327129 IAPHQVFQCRJMOP-CHWSQXEVSA-N 324.377 -0.501 30 20 DBED C#CCCN1CCn2ncc(CNC(=O)[C@@H]3CNC(=O)N3)c2C1 1069871491 DYIUKUHDROVSQE-LBPRGKRZSA-N 316.365 -0.980 30 20 DBED Cc1cnn(C)c1C(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1 1070000803 OFNTYUJOVVWVDQ-NEPJUHHUSA-N 314.353 -0.501 30 20 DBED CCC(=O)NCC(=O)NCC1(NC(=O)[C@H](C)C#N)CCOCC1 1070230989 KOPQKCRVRWRUQW-LLVKDONJSA-N 324.381 -0.546 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)Cn2cncn2)CCOCC1 1070261103 POSGGBPVFCOYBO-LLVKDONJSA-N 320.353 -0.781 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@H]2CCN(C)C2)C[C@@H]1n1ccnn1 1070327144 UQLWISPWTFDIGN-MJBXVCDLSA-N 302.382 -0.796 30 20 DBED C=CCCC(=O)N1CCC[C@@H](NC(=O)CS(=O)(=O)NC)C1 1070534495 XFOPGIBZKSCMIJ-LLVKDONJSA-N 317.411 -0.391 30 20 DBED C=CCN[C@@H]1CN(C(=O)[C@@H]2CCNC2=O)C[C@H]1c1cncn1C 1070675507 FRRDVAPDSHZAKD-JHJVBQTASA-N 317.393 -0.374 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)c2cn(C)cn2)CC1 1070956671 XQYDTYJUGPYCOH-UHFFFAOYSA-N 303.366 -0.683 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CCCN(C(=O)c2ccc(C(N)=O)[nH]2)C1 1071355401 GNAYGDZBIXQGOU-VHSXEESVSA-N 317.349 -0.006 30 20 DBED C=CCOCC(=O)N1C[C@@H](C)[C@@H](NC(=O)CN(C)C(C)=O)C1 1071809466 VDWCGXTZRYMEQL-YPMHNXCESA-N 311.382 -0.370 30 20 DBED C=CCOCC(=O)N1C[C@@H](C)[C@@H](NC(=O)CC(=O)N(C)C)C1 1071812411 RXSQLNCDOQDSDW-NEPJUHHUSA-N 311.382 -0.370 30 20 DBED C=CCOCC(=O)N[C@H]1CN(C(=O)c2cnn(C)c2N)C[C@@H]1C 1071948576 JMVOOFFYVVUZJG-JQWIXIFHSA-N 321.381 -0.218 30 20 DBED C#CCN1CCC(C(=O)N2C[C@@H](C)[C@@H](NC(=O)COC)C2)CC1 1072275662 LQOTYRVPWBXYLG-HIFRSBDPSA-N 321.421 -0.059 30 20 DBED C=CCOCC(=O)N[C@H]1CN(C(=O)c2cn(C)c(O)n2)C[C@H]1C 1072675192 STCXYSGLQNEGRF-MNOVXSKESA-N 322.365 -0.095 30 20 DBED CC#CCN1CCC2(C1)CN(C(=O)CN1CCOCC1=O)C2 1072818088 JWLNKFFORUSZGJ-UHFFFAOYSA-N 305.378 -0.597 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CCN(C(=O)C(N)=O)CC1(C)C 1073419100 NEAOSAXTNUIQFW-WDEREUQCSA-N 311.382 -0.194 30 20 DBED CC(C)C#CC(=O)N1CC[C@@H](NC(=O)Cn2ncnn2)[C@@H](C)C1 1073976960 IPFCJZCEFJTNHD-QWHCGFSZSA-N 318.381 -0.314 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)CN3CCCC3=O)C[C@H]21 1074159694 JDTUHZBMJAEWEL-KGLIPLIRSA-N 305.378 -0.456 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CCN(C(=O)[C@H]2CCN(C)C2)CC1 1074593460 TWSWCLZJQPXOCB-STQMWFEESA-N 322.409 -0.433 30 20 DBED C[C@@H](CCNC(=O)CNC(N)=O)NC(=O)c1ccc(C#N)[nH]1 1075542472 OLODLSILKVZAHK-QMMMGPOBSA-N 306.326 -0.821 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)C[C@H]1CCOC1 1076003322 DOACMSKVUXASEZ-QWHCGFSZSA-N 323.393 -0.437 30 20 DBED C[C@@H](CCNC(=O)c1ccc(C#N)[nH]1)NC(=O)c1cnn(C)n1 1076177728 MYOBPIWYGDRQNF-VIFPVBQESA-N 315.337 -0.047 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CN(C(C)C)CCO2)C1 1077566884 RKLVUBMDXUQSPS-KFWWJZLASA-N 309.410 -0.720 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2scc3c2OCCO3)C1 1077937343 RQUJBIWVXGVOGF-RKDXNWHRSA-N 309.347 -0.182 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)CCCC(N)=O)C[C@H]1O 1081464220 XEDQLKNATIQPNC-QWHCGFSZSA-N 323.393 -0.763 30 20 DBED C#CCCCC(=O)N1C[C@H](CNC(=O)Cc2nc[nH]n2)[C@@H](O)C1 1081791586 UDDCCDMWCGDISR-RYUDHWBXSA-N 319.365 -0.914 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CCCCN1C(=O)Cn1cnnn1 1081870237 QWJQCOLMKDAZSR-ZDUSSCGKSA-N 316.365 -0.416 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)Cn1cccc(C)c1=O 1083080945 MZIAFYLOWBIVTM-LSDHHAIUSA-N 315.373 -0.298 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CCCC(=O)N1C 1083261776 LRHYTNZUWZNXPD-SOUVJXGZSA-N 319.405 -0.068 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)C1 1083794145 DJEOPPBZTMLIIN-YJNKXOJESA-N 302.378 -0.292 30 20 DBED Cn1[nH]c(CN2CC[C@@H]3CN(C(=O)C#CC4CC4)[C@@H]3C2)nc1=O 1084334121 PMCGSWCFKMWSMG-CHWSQXEVSA-N 315.377 -0.446 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(c2cncc(Cl)n2)C[C@@H]1O 1091153183 VEWZMFNYMRYZBL-MXWKQRLJSA-N 324.768 -0.166 30 20 DBED CC(=O)NCC(=O)NC[C@H]1C[C@H](N=c2cc[nH]cc2C#N)C1 1091416248 ALKFVVKDQZRICQ-AULYBMBSSA-N 301.350 -0.182 30 20 DBED C=CCCC(=O)N[C@@H]1CCN(c2nccn3nnnc23)C[C@H]1O 1092154296 ULUUWHJUXBOPOR-GHMZBOCLSA-N 317.353 -0.459 30 20 DBED N#Cc1ccc(N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)CC(N)=O)nn1 1092955228 SIXQXMQKMHIHKV-MXWKQRLJSA-N 300.322 -0.550 30 20 DBED CC(=O)NCC(=O)NC1[C@@H]2CN(c3ncc(C#N)cc3F)C[C@@H]12 1093216264 YQQGMVRZHUTADQ-GHMZBOCLSA-N 317.324 -0.221 30 20 DBED COC(=O)NCC(=O)N[C@H]1[C@@H]2CN(c3ccncc3C#N)C[C@@H]21 1093239891 OIBLHACGNFQRTB-YABSGUDNSA-N 315.333 -0.140 30 20 DBED CC(=O)N1CCOC[C@@H]1C(=O)NCCNc1cncc(C#N)n1 1093653189 JJESIHLISSLGSO-GFCCVEGCSA-N 318.337 -0.876 30 20 DBED N#CCN1CC(N2C[C@@H](NC(=O)CC3CCOCC3)CC2=O)C1 1094714507 XOCAMDZNUBICCZ-ZDUSSCGKSA-N 320.393 -0.272 30 20 DBED CNC(=O)NCC(=O)NCCCN=c1cc(C)[nH]cc1C#N 1094857359 RSTBEOHVHDMTGG-UHFFFAOYSA-N 304.354 -0.469 30 20 DBED CN(CCCNC(=O)[C@H]1CCC(=O)N1)c1cncc(C#N)n1 1095494130 VVPITOVBZAGSIQ-LLVKDONJSA-N 302.338 -0.431 30 20 DBED CN(CCCNC(=O)[C@H]1CNC(=O)N1)c1ccc(C#N)cn1 1095715728 VIZMZORNTNDAHS-LLVKDONJSA-N 302.338 -0.423 30 20 DBED C[C@H](CC(N)=O)C(=O)N[C@@H]1CCCN(c2nccnc2C#N)C1 1096218931 QFINBCBVJABZKB-GHMZBOCLSA-N 316.365 -0.055 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1C[C@H](Nc2cncc(C#N)n2)C1 1097023708 XEYBILBMDHCONT-XYPYZODXSA-N 312.333 -0.453 30 20 DBED N#Cc1nc(=NC[C@@H]2CCCN(C(=O)CNC(N)=O)C2)cc[nH]1 1097351635 DQYLTHJDBYDSTE-JTQLQIEISA-N 317.353 -0.911 30 20 DBED C[C@@H](CNC(=O)c1cc(=O)n(C)cn1)Nc1cnc(C#N)cn1 1098363544 YTTSQZCGFHGHLN-VIFPVBQESA-N 313.321 -0.328 30 20 DBED C[C@@H](CNC(=O)c1nnc(O)nc1O)Nc1cnc(C#N)cn1 1098435873 UCDMMFPPHVYEQC-LURJTMIESA-N 316.281 -0.825 30 20 DBED C=CCCNCc1cn([C@H]2CCN(C(=O)CC(=O)NC)C2)nn1 1098658033 ANRLVQZNGHZHKI-ZDUSSCGKSA-N 320.397 -0.147 30 20 DBED Cc1nn[nH]c1C(=O)N1CC[C@@H](n2cc(CNCC#N)nn2)C1 1098697764 LEPQAANBGXPMQZ-LLVKDONJSA-N 315.341 -0.595 30 20 DBED C[C@@H](CCNC(=O)Cn1nccn1)Nc1ccc(C#N)nn1 1099536487 LFKFKOXGUWFSTC-JTQLQIEISA-N 300.326 -0.053 30 20 DBED CNC(=O)NCC(=O)NCC[C@H](C)Nc1cncc(C#N)n1 1099748077 PEQPTFVRMRJDFI-VIFPVBQESA-N 305.342 -0.416 30 20 DBED Cc1nonc1CN1CC[C@@H](NC(=O)C#CC2CC2)[C@@H](O)C1 1099823710 ICBKJSZCEDPKRC-OCCSQVGLSA-N 304.350 -0.157 30 20 DBED C=CC(C)(C)C(=O)N[C@H]1CCN(Cc2nc(O)n[nH]2)C[C@@H]1O 1099957271 NCYAYVDWURRKHD-UWVGGRQHSA-N 309.370 -0.226 30 20 DBED C=C(Cl)CNC1CC(CNC(=O)Cn2ncn(C)c2=O)C1 1100466809 UXWVKKDYVAHUQO-UHFFFAOYSA-N 313.789 -0.181 30 20 DBED CC(=O)N[C@H](C)C(=O)NC[C@@H]1CCCN1c1cnc(C#N)cn1 1100775550 ZCRBGQCXCXKZBJ-MFKMUULPSA-N 316.365 -0.042 30 20 DBED N#Cc1ccc(N2CC[C@H](CCNC(=O)CNC(N)=O)C2)nn1 1102283035 LWBYNWLZPGVJEL-JTQLQIEISA-N 317.353 -0.651 30 20 DBED CN(C(=O)C(C)(C)C(N)=O)[C@H]1CCN(c2ccnc(C#N)n2)C1 1102740633 TWNUIODHRLVJJR-JTQLQIEISA-N 316.365 -0.103 30 20 DBED CC[C@@H](CNC(=O)Cn1cnnn1)Nc1nc(C)cc(C#N)n1 1102968303 ANOGUHXKMLRRDH-JTQLQIEISA-N 315.341 -0.350 30 20 DBED CC[C@@H](CNC(=O)c1nnn(C)n1)Nc1nccnc1C#N 1103276104 WJYWRSRJGLZSKG-QMMMGPOBSA-N 301.314 -0.508 30 20 DBED C#CCN1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCS(=O)(=O)N2)C1 1103730342 MFZOVRDPFVFTFY-JHJVBQTASA-N 313.423 -0.615 30 20 DBED C[C@H](CNC(=O)Cn1ncnn1)CNc1ccc(C#N)nc1 1104095045 MVKRROWQEDUZEX-JTQLQIEISA-N 300.326 -0.196 30 20 DBED Cc1cc(=NC[C@@H](O)CNC(=O)c2cnns2)c(C#N)c[nH]1 1105722991 DOJMJWBQHUQSDR-SNVBAGLBSA-N 318.362 -0.262 30 20 DBED C=CCOCC(=O)NC[C@@H](O)CNc1ncnc2c1ncn2C 1105747962 OLTLSXVYIPPJBU-SNVBAGLBSA-N 320.353 -0.545 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)c2nccnc2N)cn1 1105766128 PMMCEDWHBHACGI-NSHDSACASA-N 313.321 -0.472 30 20 DBED CCn1ccnc1C(=O)NC[C@H](O)CN=c1cc[nH]cc1C#N 1105802416 MTXSKFPJEUTGFH-GFCCVEGCSA-N 314.349 -0.206 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H](O)CNC(=O)c1cncnc1O 1106006833 FCOLBCSKNQBNAT-SNVBAGLBSA-N 314.305 -0.926 30 20 DBED Cc1ccnn1CC(=O)NC[C@@H](O)CN=c1cc[nH]cc1C#N 1106134490 WVQRUTRPRAVSOY-ZDUSSCGKSA-N 314.349 -0.531 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)CCNc1nccc(OC)n1 1106285709 WPIVMUFDCSWAIC-LLVKDONJSA-N 319.365 -0.069 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)CCNC(N)=O 1106764108 ITLLSOYOBAUAPD-UHFFFAOYSA-N 305.342 -0.911 30 20 DBED CC(=O)N[C@H](C)C(=O)NC/C=C/CNc1nccnc1C#N 1107020065 AIMMWHXBLFLOJQ-HMDXOVGESA-N 302.338 -0.043 30 20 DBED C#CCCN1CC(n2cc(CNC(=O)Cc3cnc[nH]3)nn2)C1 1107214592 YQSKHLAONIWWHH-UHFFFAOYSA-N 313.365 -0.260 30 20 DBED C#CCCN1CCO[C@@](C)(CNC(=O)[C@@H]2CCN(C)C2=O)C1 1108147031 XMOIZYLBYRGWTL-BBRMVZONSA-N 307.394 -0.305 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)Cn2ccccc2=O)C1 1108388491 BGMQLLQXOZOXSG-MRXNPFEDSA-N 303.362 -0.311 30 20 DBED C[C@@H](CN(C)c1ccnc(C#N)n1)NC(=O)CN1CCOCC1 1108904510 ZSXJJSDVHSPURM-LBPRGKRZSA-N 318.381 -0.379 30 20 DBED C[C@H](CN(C)c1cncc(C#N)n1)NC(=O)[C@@]1(C)CCNC1=O 1109240522 NWKHLHRWGGMHAN-BMIGLBTASA-N 316.365 -0.185 30 20 DBED N#Cc1cnc(NC[C@H](NC(=O)CNC(N)=O)C2CC2)cn1 1109754001 PHMAWNOTUBFHTJ-JTQLQIEISA-N 303.326 -0.677 30 20 DBED Cn1nnnc1CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C#CC1CC1 1110531626 HMWAPTGSVMYLEL-UPJWGTAASA-N 300.366 -0.155 30 20 DBED N#Cc1cncc(N2CC[C@@](O)(CNC(=O)c3cnco3)C2)n1 1111121645 LBGKPGMMUHRMJI-CQSZACIVSA-N 314.305 -0.293 30 20 DBED CSCC(=O)N(C)[C@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1111168891 RZEBLRPEFBDKNO-QWRGUYRKSA-N 307.379 -0.281 30 20 DBED C[C@@H](C#N)C(=O)N[C@]1(CO)CCCN(c2nccnc2C#N)C1 1111343179 OHBHFTUFXZYPOX-XHDPSFHLSA-N 314.349 -0.045 30 20 DBED CO[C@H](C)C(=O)NC[C@@H]1COCCN1c1ccnc(C#N)n1 1111656694 IEIMPCKOPFJRPR-GHMZBOCLSA-N 305.338 -0.295 30 20 DBED C[C@H]1CN(C(=O)CCNC(N)=O)C[C@H]1Nc1nccnc1C#N 1112312177 CGTDRDWYTQQLQD-GXSJLCMTSA-N 317.353 -0.335 30 20 DBED C#CCNC(=O)CC(=O)N1CCN([C@H](C)c2nc(C)no2)CC1 1112776677 IDWLYIPKWZTXJU-LLVKDONJSA-N 319.365 -0.277 30 20 DBED C[C@H](Nc1cnc(C#N)cn1)[C@@H](C)NC(=O)CS(C)(=O)=O 1112926050 OFWIAGCEPQVRDZ-DTWKUNHWSA-N 311.367 -0.302 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)c2ccn(CC)n2)CC1 1113403166 WBZQSWMSIGWRSZ-ZDUSSCGKSA-N 317.393 -0.201 30 20 DBED COCC#CCN1CCN(C(=O)CCCS(C)(=O)=O)CC1 1113426264 RGXJNDUUWSZYJP-UHFFFAOYSA-N 316.423 -0.395 30 20 DBED C[C@@H](CNC(=O)CN1CCOCC1)N(C)c1cnc(C#N)cn1 1113558558 PHDCMIYZVRHWTD-LBPRGKRZSA-N 318.381 -0.379 30 20 DBED C[C@H](CNC(=O)C[C@H]1CCC(=O)N1)N(C)c1cnc(C#N)cn1 1113651628 FLZFDDFPOKOFOP-GHMZBOCLSA-N 316.365 -0.042 30 20 DBED COCC#CCN1CCN(C(=O)c2cccc(C(N)=O)n2)CC1 1113699775 UMJAAHNXVUOFFN-UHFFFAOYSA-N 316.361 -0.412 30 20 DBED C[C@H]1CCN(c2ccc(C#N)nn2)C[C@@H]1NC(=O)CNC(N)=O 1113998462 YJLQEQXWIXEKJN-ONGXEEELSA-N 317.353 -0.652 30 20 DBED C[C@H](C#N)C(=O)NC1[C@@H]2CN(CCN3C(=O)CCC3=O)C[C@@H]12 1114072385 QZBOCGFIJICOEQ-GMTAPVOTSA-N 304.350 -0.659 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@H]1[C@@H]2CN(CC(=O)N(C)CC)C[C@@H]21 1114194715 UQJQVNRZSWOJNE-OJDYBEQGSA-N 309.410 -0.162 30 20 DBED CC(C)C#CC(=O)NC1[C@@H]2CN(C[C@H](O)Cn3cccn3)C[C@@H]12 1114234894 SREAPJLIXYDYHZ-RRFJBIMHSA-N 316.405 -0.050 30 20 DBED C#CCO[C@H](C)C(=O)NC1[C@@H]2CN(CC(=O)N(C)CC)C[C@@H]12 1114271668 ZGPAZVBMRXYVSE-JHJVBQTASA-N 307.394 -0.451 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)Cn3cncc3C)[C@@H]2C1 1114563587 WXXLFODMOBMJCI-CHWSQXEVSA-N 317.393 -0.460 30 20 DBED N#Cc1cnccc1N1C[C@H]2C(CNC(=O)Cn3ncnn3)[C@@H]2C1 1114575578 YWIWVODOUCHUBO-STQMWFEESA-N 324.348 -0.562 30 20 DBED Cc1nc(O)nc(O)c1CCC(=O)N[C@H]1[C@@H]2CN(CC#N)C[C@@H]21 1114648166 RIZZUSXJOAPBLJ-PJXYFTJBSA-N 317.349 -0.301 30 20 DBED COCC#CCN1C[C@@H]2C(NC(=O)c3cccn(C)c3=O)[C@H]2C1 1115132820 RAFCXWNAURZJMU-KBPBESRZSA-N 315.373 -0.305 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)c3[nH]cnc3C)[C@@H]2C1 1115356480 KMKXLLZCMAYDQV-GHMZBOCLSA-N 303.366 -0.320 30 20 DBED C=CC1CCN(C(=O)C(=O)N[C@@H](C)CS(C)(=O)=O)CC1 1117378151 UAOVBGRZWGWOGR-JTQLQIEISA-N 302.396 -0.040 30 20 DBED CC#CCN(C)C(=O)C(=O)Nc1cnn(CC(=O)N(C)C)c1 1117754873 JVOSROUWJMVTSD-UHFFFAOYSA-N 305.338 -0.609 30 20 DBED C#CC[C@@H](NS(=O)(=O)c1cnc2c(cnn2C)c1)C(=O)OC 1117960809 DEKBRHPEFHLAIV-LLVKDONJSA-N 322.346 -0.189 30 20 DBED CN(C)CC#CCNC(=O)Cn1nc2n(c1=O)CCCCC2 1119662839 IMOJKBGNAPPJQO-UHFFFAOYSA-N 305.382 -0.548 30 20 DBED C#CCOCCn1nnnc1N1C[C@H]2CN(C(C)=O)C[C@H]2C1 1120251557 JKUPZTQJPSLRQC-BETUJISGSA-N 304.354 -0.763 30 20 DBED Cc1ccc(C#N)c(N[C@@H](CO)CNC(=O)[C@H](C)NC(N)=O)n1 1121377729 PYBNZVDYGPMKAS-GXSJLCMTSA-N 320.353 -0.793 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)c2cncnc2O)nc1 1122170429 DKXGPTBVFVXWFH-JTQLQIEISA-N 314.305 -0.348 30 20 DBED Cc1c[nH]c(C(=O)NC[C@H](CO)Nc2cncc(C#N)n2)n1 1122687044 HGXNXZPYTWDVEG-SNVBAGLBSA-N 301.310 -0.417 30 20 DBED C[C@@H]1[C@H](N=c2cc[nH]c(C#N)n2)CCN1C(=O)CCCC(N)=O 1123027591 GZDNBQVVIQBCPT-GHMZBOCLSA-N 316.365 -0.173 30 20 DBED CN(C[C@H](O)CNc1ccc(C#N)cn1)C(=O)[C@H]1COCCO1 1124048447 ZXBYUOSZYXBVJZ-CHWSQXEVSA-N 320.349 -0.400 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)CCCOC 1124088626 HWNVGSGQPGCLHL-UHFFFAOYSA-N 300.359 -0.869 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)CCCCOC 1124573619 XKADANDHHHCNAF-UHFFFAOYSA-N 314.386 -0.479 30 20 DBED C[C@H](C#N)C(=O)N(C)C[C@@H](O)CN(C)c1cncc(C#N)n1 1124988905 PFVKZHPPMNTFCZ-PWSUYJOCSA-N 302.338 -0.237 30 20 DBED CNC(=O)CC(=O)NCCN(CCOC)c1cnc(C#N)cn1 1126308127 JGRLXOFSRKPQJD-UHFFFAOYSA-N 320.353 -0.947 30 20 DBED COC[C@@H](C)C(=O)N[C@@H]1CCc2nnc(CNCC#N)n2CC1 1127959303 YRQPJDAKGXMXQD-VXGBXAGGSA-N 320.397 -0.005 30 20 DBED C=CCN1CCn2ncc(CNC(=O)CCn3cnnn3)c2C1 1128524390 FNPDCTZIBVTAHI-UHFFFAOYSA-N 316.369 -0.422 30 20 DBED CC(C)Oc1ccc(C(=O)NCCNCC(=O)NCC#N)cn1 1128814224 MGKDLPDHNRZWBB-UHFFFAOYSA-N 319.365 -0.172 30 20 DBED N#CCN1CC[C@H](c2n[nH]cc2CNC(=O)Cn2nccn2)C1 1130392481 MYZXSGPTNTXVTJ-NSHDSACASA-N 314.353 -0.370 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@H]1CCc2cncn2C1 1130484050 CXTSAQNNIDUDLM-LBPRGKRZSA-N 305.382 -0.547 30 20 DBED C#CCCN1C[C@@H](F)C[C@@H]1c1n[nH]c(CNC(=O)CC(N)=O)n1 1131146854 NYTGVXYLEBTGHG-VHSXEESVSA-N 322.344 -0.596 30 20 DBED CC#CCN1C[C@H]2C[C@@H]3CN(C(=O)CC(=O)N(C)C)C[C@@]3(C1)O2 1131274104 PJNDSZJJTGEZND-CKEIUWERSA-N 319.405 -0.210 30 20 DBED COC(=O)NCC(=O)N1C[C@@H](C)O[C@@]2(CCN(CC#N)C2)C1 1131638241 JGXUHTGIRAZFFQ-BXUZGUMPSA-N 310.354 -0.442 30 20 DBED C=C[C@](C)(CCOC)C(=O)NCCNCC(=O)NC(=O)NC 1131867573 RUSYQYGIUXMEFS-CQSZACIVSA-N 314.386 -0.623 30 20 DBED C=CCOCC(=O)N1CC[C@@H](C)[C@@H](CNCc2nnnn2C)C1 1132705694 QJWSDQDNUYKBIZ-OLZOCXBDSA-N 322.413 -0.013 30 20 DBED C=CCNC(=O)CNCCNC(=O)Cn1nnc2c1CCCC2 1133959709 AQMUACYKUPISJQ-UHFFFAOYSA-N 320.397 -0.835 30 20 DBED C#CCOCCC(=O)N[C@H](C)C[C@@H](C)NCc1nc(=O)n(C)[nH]1 1134376860 UFHCIZOYXOCSFB-VXGBXAGGSA-N 323.397 -0.479 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@@H]1CCC[C@H](C(N)=O)C1 1134614505 ZCKDWKUPRBVPCZ-NWDGAFQWSA-N 310.398 -0.714 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)[C@H]1CCO[C@H]1C 1135782578 FWAUZAUEJNZACD-QWRGUYRKSA-N 312.370 -0.871 30 20 DBED C#CCN[C@H](C)C[C@@H](C)NC(=O)CCS(=O)(=O)N(C)C 1146572165 SRLQSJWYUQTPQN-VXGBXAGGSA-N 303.428 -0.226 30 20 DBED COCC#CCNCCNC(=O)c1ccnc2nc(C)nn12 1147643991 CLCIFBYBNKOUBL-UHFFFAOYSA-N 302.338 -0.598 30 20 DBED COc1cccc(C(=O)NCCNCC(=O)NCC#N)c1OC 1148925479 INGZBESTWMKLOB-UHFFFAOYSA-N 320.349 -0.337 30 20 DBED COCC#CCN1CCCO[C@@H](CNC(=O)Cn2cncn2)C1 1150699523 KTDMNXJDFSGNPF-AWEZNQCLSA-N 321.381 -0.865 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)[C@@H]2CN(CC)CCO2)C1=O 1151740927 ZOFOBNUVTJYRSI-KBPBESRZSA-N 324.425 -0.800 30 20 DBED C#CCNC(=O)CC(=O)NCCCNCCn1nc(C)nc1C 1156847824 IKNDZSDPYJLNES-UHFFFAOYSA-N 320.397 -0.870 30 20 DBED COCC#CCNCCCNC(=O)c1cc(C(N)=O)cn1C 1161895534 VXBZPWYNUODFOU-UHFFFAOYSA-N 306.366 -0.517 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)Cn2cncn2)C1=O 1175472662 XUBLOGBUDCEBTB-LBPRGKRZSA-N 306.370 -0.839 30 20 DBED CC(C)[C@H](C(=O)NCCCNCC(=O)NCC#N)N1CCCC1 1176997736 YSTBYBQLGPZDRZ-OAHLLOKOSA-N 323.441 -0.158 30 20 DBED CNC(=O)C1(C(=O)N2CC[C@@H]3OCCN(CC#N)[C@H]3C2)CC1 1177113360 STOYPFZZOVRASB-RYUDHWBXSA-N 306.366 -0.662 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H]2CC[C@H]1[C@H](CNCCCO)C2 1177711124 KUDSWFNYNTWDQE-KKUMJFAQSA-N 321.421 -0.275 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)c2cnns2)[C@H]1C 1178210842 BWPBFNXDFVRREW-DCAQKATOSA-N 321.406 -0.131 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)c2cncnc2)[C@H]1C 1178530336 ZUUVVOJECYSATJ-DYEKYZERSA-N 315.377 -0.193 30 20 DBED C=CCOCC(=O)N1C[C@@H](C)[C@](C)(CNCC(=O)NCC#N)C1 1180893767 XSZIJHPJTYALPF-CZUORRHYSA-N 322.409 -0.097 30 20 DBED C=CCN1CC[C@@H](N[C@@H]2CCN(C(=O)[C@H](C)NC(N)=O)C2)C1=O 1182195302 TZZKIRZVLIUEIV-QJPTWQEYSA-N 323.397 -0.979 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@@H](NCCS(C)(=O)=O)C1 1182504664 HEJVMQADDRFVCI-NWDGAFQWSA-N 302.396 -0.740 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)CCc2ncccn2)C1 1186472613 KVLZYODDUOYJBZ-CYBMUJFWSA-N 317.393 -0.098 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)C2=COCCO2)C1 1188716549 HKBSZGRSYWGRGH-LBPRGKRZSA-N 309.366 -0.291 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC[C@@H](N(C)CCOCCO)C1 1189917491 HIAFGOPFLHQAEH-HIFRSBDPSA-N 300.399 -0.145 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(Cc2cnn(C)c2)C[C@H]1O 1192524164 DPTVAPNHPCKWOM-UMVBOHGHSA-N 308.382 -0.592 30 20 DBED C=C(C)CCC(=O)N[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1O 1193369958 JWLDEIQMSVDPDE-VXGBXAGGSA-N 319.427 -0.947 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1CN(CCCS(C)(=O)=O)C[C@H]1O 1195312648 UKJVJAXILIKOMU-VXGBXAGGSA-N 318.439 -0.205 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCCN(CCOCCO)CC1 1195681516 FGMUTJRPBOFOTJ-HNNXBMFYSA-N 300.399 -0.143 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)C(=O)NCC2CC2)CC1 1197620296 KOVYCBQVQFDRPQ-UHFFFAOYSA-N 322.409 -0.651 30 20 DBED C[C@@H](NC(=O)c1ccccc1)C(=O)N[C@@H]1CN(CC#N)C[C@H]1O 1198393001 OKGRYXJLFKAJQN-MRVWCRGKSA-N 316.361 -0.510 30 20 DBED N#CCNC[C@@H]1CN(C(=O)C(=O)NCC(F)F)CCCO1 1200874246 RAOMCVGZLWXSLY-SECBINFHSA-N 304.297 -0.902 30 20 DBED CC(=O)N1CC[C@H](C(=O)N2CCCO[C@H](CNCC#N)C2)C1 1201957682 DXQZHVYPFJHYSE-UONOGXRCSA-N 308.382 -0.415 30 20 DBED C=CCCOCC(=O)N1CCCO[C@H](CN[C@H](C)C(N)=O)C1 1202208403 NPVHUUDDDWNVFZ-CHWSQXEVSA-N 313.398 -0.340 30 20 DBED N#CCN[C@@H]1C[C@@H](NC(=O)C(=O)NCC(F)F)C12CCC2 1203123040 OAHOIIKKLHXHDB-RKDXNWHRSA-N 300.309 -0.092 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)c2ccn(C)n2)CC1 1203699366 JGGUCNIIRQJDFG-UHFFFAOYSA-N 305.382 -0.084 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)C[C@@H]2CCOC2)CC1 1204859045 LUZYVKBCJJZFOR-HNNXBMFYSA-N 321.421 -0.009 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)[C@H]2C[C@H](C)CO2)CC1 1205722286 OQQRWNGJMDPJOC-DZGCQCFKSA-N 321.421 -0.011 30 20 DBED COc1cc(C(=O)N2CCC[C@@H](NCC(=O)NCC#N)C2)on1 1207859720 BZEDGMHDFAKHSG-SNVBAGLBSA-N 321.337 -0.483 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCC[C@@H](NCc2nnn(C)n2)C1 1207950736 NJOGYPVUMYSWKQ-RISCZKNCSA-N 308.386 -0.382 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)[C@@H](CC)N(C)C)C1 1208414436 POBJEQIRRBNZRE-UONOGXRCSA-N 308.426 -0.343 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCCN(C(=O)c2[nH]nnc2C)C1 1208910283 PEBNXBFUNTVMAN-NEPJUHHUSA-N 318.381 -0.555 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)C2CCN(C)CC2)C1 1209408707 WGOMRDCLWFWKGR-OAHLLOKOSA-N 320.437 -0.342 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@H]2OCC[C@H]2C)C1 1209699847 OOSJLHJGOBUFSR-NFAWXSAZSA-N 307.394 -0.259 30 20 DBED C=CCCOCC(=O)N1CCC[C@H](N[C@@H]2CCC(=O)NC2=O)C1 1211355012 KUJGDWCBJZBOGN-QWHCGFSZSA-N 323.393 -0.035 30 20 DBED C#CCC1(C(=O)N[C@@H]2CN([C@H]3CCNC3=O)C[C@H]2OC)CCC1 1212393191 HDVKRUHMSMSGMK-HZSPNIEDSA-N 319.405 -0.116 30 20 DBED C=CCN1C[C@@H](NC(=O)COCc2ccnn2C)[C@H](OC)C1 1212452900 KWQNSNKYCZNGLZ-ZIAGYGMSSA-N 308.382 -0.062 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)CCOCC)C[C@H]1C 1214317615 LKKSEGAJYQTWRR-HZSPNIEDSA-N 309.410 -0.013 30 20 DBED CC[C@@H](C(=O)N1C[C@@H](NCC(=O)NCC#N)[C@H](C)C1)N(C)C 1215571828 WOJUKXILZXZGKB-UPJWGTAASA-N 309.414 -0.597 30 20 DBED N#CCSCC(=O)N[C@@H]1CN(Cc2cnns2)C[C@@H]1O 1219218278 MXMMGXBGZDHHIY-ZJUUUORDSA-N 313.408 -0.544 30 20 DBED C#CCCCCC(=O)N[C@@H]1CN([C@H](C)C(=O)NCC#C)C[C@@H]1O 1219490636 RUGNICQKINFDIX-KFWWJZLASA-N 319.405 -0.521 30 20 DBED CC#CCCCC(=O)N[C@@H]1CN(CCNC(=O)C2CC2)C[C@@H]1O 1220185798 OIDDBSITTSVGEO-CABCVRRESA-N 321.421 -0.133 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)c2cccnc2OC)C1 1220266904 OZSLVMVSRQDREM-KGLIPLIRSA-N 319.361 -0.485 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@@](C)(NC(C)=O)C2CC2)C1 1220744807 QEBKTAGSLUMGKX-YCPHGPKFSA-N 307.394 -0.524 30 20 DBED CCOCCCC(=O)N1C[C@H]2CCN(CC(=O)NCC#N)C[C@H]21 1221313164 ZYEZVSDLUBKVCR-ZIAGYGMSSA-N 322.409 -0.024 30 20 DBED C#CCOCCC(=O)N1C[C@H]2CCN(C[C@H](O)COC)C[C@H]21 1221544872 KZGRXBYDMSMSHT-QLFBSQMISA-N 310.394 -0.434 30 20 DBED C=CCO[C@H](C)C(=O)N1C[C@H]2CCN(Cc3nnn(C)n3)C[C@H]21 1222069743 WSMHTRYFLNGPMW-JHJVBQTASA-N 320.397 -0.166 30 20 DBED COCC#CCN[C@@H]1CCCN(C(=O)[C@@H]2CCCN2C(N)=O)C1 1222103987 DCUCQPMUNCWUPO-KGLIPLIRSA-N 322.409 -0.240 30 20 DBED N#CCNC(=O)CN1CCC(CNC(=O)c2cnns2)CC1 1222465036 VOMRQQYUGSGDAZ-UHFFFAOYSA-N 322.394 -0.380 30 20 DBED CCNC(=O)NC(=O)CN1CCC(CNC(=O)[C@H](C)C#N)CC1 1222640619 BIRUUABRFVZHLD-LLVKDONJSA-N 323.397 -0.180 30 20 DBED COCC#CCN1CC[C@@H]2CCN(C(=O)c3nc[nH]n3)C[C@@H]21 1223697484 CBVLEOGJQQBWIR-OLZOCXBDSA-N 303.366 -0.009 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)[C@H]2C[C@H]3C=C[C@H]2O3)CC1 1228055296 ZIEVKLVBLJXQSX-QLFBSQMISA-N 317.389 -0.340 30 20 DBED C#CCOCCC(=O)NCC[C@@H]1CN(CC)CCS1(=O)=O 1230461690 CFOMLWQFGQCCQK-CYBMUJFWSA-N 316.423 -0.349 30 20 DBED COCC#CCN1CC[C@@H]1CN(C)C(=O)CS(C)(=O)=O 1231015116 NYBANZHIAQQLEH-GFCCVEGCSA-N 302.396 -0.787 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)c1ccnn1C 1231069382 CKMMDRGEQUJLSC-GFCCVEGCSA-N 303.366 -0.684 30 20 DBED C=CCNC(=O)[C@H](C)N(C)CCCNC(=O)CN1CCCC1=O 1233783324 BCKOCPIZNHLJBR-ZDUSSCGKSA-N 324.425 -0.262 30 20 DBED COC(=O)c1cnn(C)c1NC(=O)C(=O)N[C@@H]1CC[C@H](C#N)C1 1261445344 XCQYNTOZNWPSAR-DTWKUNHWSA-N 319.321 -0.046 30 20 DBED C=CC[C@@H](CC)NC(=O)C(=O)N1CCN(CCOC)C(=O)C1 1324711509 WFELICCRDBXWTJ-GFCCVEGCSA-N 311.382 -0.226 30 20 DBED N#CCNC(=O)CNC(=O)C(=O)Nc1ccc(F)c(C#N)c1 1324972841 BLJMWKYLQAZDCH-UHFFFAOYSA-N 303.253 -0.608 30 20 DBED N#CCNC(=O)CNC(=O)N1CCC(O)(C(F)(F)F)CC1 1325032936 CHHHUMRNBMOMHA-UHFFFAOYSA-N 308.260 -0.275 30 20 DBED Cc1c(C(=O)N[C@](C)(C#N)CN(C)C)nnn1-c1cnn(C)c1 1326446395 KVSWCCARIHYBRV-CQSZACIVSA-N 316.369 -0.117 30 20 DBED COCCNS(=O)(=O)c1c[nH]c(C(=O)N(C)CCC#N)c1 1329602755 DXIUXYGNVCVKMW-UHFFFAOYSA-N 314.367 -0.075 30 20 DBED N#CCN1CCC(NC(=O)C(=O)N2CCO[C@@H]3CCC[C@@H]32)CC1 1331221015 FLWXTSVYBIBRAD-UONOGXRCSA-N 320.393 -0.130 30 20 DBED C#CCN1CCN(c2nnc(CCOC)n2CCOC)CC1 1341264608 MNPROVYMFLEDRR-UHFFFAOYSA-N 307.398 -0.131 30 20 DBED N#C[C@H](C(=O)/C=C\c1ccc[nH]1)C(=O)N1CCS(=O)(=O)CC1 1343471494 WNEVHGJBOUXKLC-VSQXVHSFSA-N 321.358 -0.006 30 20 DBED N#C[C@H]1CC[C@@H](NC(=O)C(=O)N2CC[C@@H]3NC(=O)CC[C@@H]3C2)C1 1350875512 ZYNUEKXWFGHCSM-LOWDOPEQSA-N 318.377 -0.078 30 20 DBED COc1cccc(CNC(=O)Cn2c(=O)[nH]cc(C#N)c2=O)c1 1363183329 BEUOSVZTPRAHKR-UHFFFAOYSA-N 314.301 -0.267 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)c2ccnc(S(N)(=O)=O)c2)C1 1363464286 VKJWKRJPOXTKLA-GFCCVEGCSA-N 310.335 -0.780 30 20 DBED CCS(=O)(=O)N[C@H](C)C(=O)NCC1(C#N)CCOCC1 1363699343 WITFIJOYCXDXPT-SNVBAGLBSA-N 303.384 -0.249 30 20 DBED CCN(CCC#N)C(=O)CN1CCCC[C@H]1CS(N)(=O)=O 1365322886 QZOGQEXELAYZSI-LBPRGKRZSA-N 316.427 -0.108 30 20 DBED C[C@H](NC(=O)CN(C)C(=O)C1CC1)C1CN(C(=O)[C@H](C)C#N)C1 1370132287 TWZIQBQRNPGQNJ-MNOVXSKESA-N 320.393 -0.022 30 20 DBED C[C@@H](C#N)C(=O)N(C)C[C@@H]1CCN(C(=O)C2(NC(N)=O)CC2)C1 1374472415 JMPIAONYNYNRQM-QWRGUYRKSA-N 321.381 -0.346 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C)C(=O)[C@H]1CCc2nnnn2CC1 1398016589 UCQPNISJGBYPRW-QWRGUYRKSA-N 319.369 -0.640 30 20 DBED CCCNC(=O)CN1CCN(CCN(C)C(=O)[C@@H](C)C#N)CC1 1400199201 LMQDERIVLXDSIY-AWEZNQCLSA-N 323.441 -0.252 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CCN(C(=O)c2cccn3nnnc23)C1 1407565615 ZVYWOMSQOGODJX-ZJUUUORDSA-N 313.321 -0.385 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)c2cc(=O)n(C)cn2)CC1 1410803268 HOJPTIISXUXGRE-VIFPVBQESA-N 303.322 -0.681 30 20 DBED CNC(=O)NC1CCN(C(=O)[C@H](C)n2cnc(C#N)n2)CC1 1412231755 CDNVRQFYMJVLTQ-VIFPVBQESA-N 305.342 -0.369 30 20 DBED N#Cc1cn(CCNC(=O)CCc2ccccn2)c(=O)nc1O 1413311870 QGCRGVFBKSECCZ-UHFFFAOYSA-N 313.317 -0.035 30 20 DBED C[C@@H](C#N)C(=O)NCCN1CCN(C(=O)c2cncn2C)CC1 1414756601 LTLOPVCCSCVGSJ-LBPRGKRZSA-N 318.381 -0.546 30 20 DBED Cc1c(C(=O)NC[C@H](C)NC(=O)c2ccc(C#N)[nH]2)nnn1C 1415134494 UNCNGPAYYSXJDR-QMMMGPOBSA-N 315.337 -0.128 30 20 DBED Cn1nncc1C(=O)NC[C@H](O)CNCc1cccc(C#N)c1 1422298328 OGFJALBAJKOXAW-CYBMUJFWSA-N 314.349 -0.433 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)CCN2CCCC2=O)C1 1429843565 NOZLHCOCTBITKQ-RYUDHWBXSA-N 306.366 -0.124 30 20 DBED CNC(=O)NCC(=O)NCC[C@@H](C)NC(=O)c1cc(C#N)c[nH]1 1455040911 OQBWMFFJINFANE-SECBINFHSA-N 320.353 -0.560 30 20 DBED N#Cc1cnn(-c2ccc(C(=O)N[C@@H]3COC[C@@H]3O)cc2)c1N 1470948906 KZRISDAMNCLSOK-OLZOCXBDSA-N 313.317 -0.184 30 20 DBED CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccc(C#N)nn1 1472737754 WTKUAMHWPRYSAR-SNVBAGLBSA-N 309.351 -0.912 30 20 DBED C[C@H](NCC1(NC(=O)[C@H](C)C#N)CCCC1)C(=O)NC(N)=O 1481892209 OVFSVVQYQRZBQC-ZJUUUORDSA-N 309.370 -0.252 30 20 DBED CNS(=O)(=O)CC(=O)N[C@@H](C)CNCc1cccc(C#N)c1 1483295206 GKPKSJZERDOBPM-NSHDSACASA-N 324.406 -0.298 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)CCCn2ccnc2)C1 1489595855 SYDLVFJDYVRBRO-UPJWGTAASA-N 319.365 -0.489 30 20 DBED C=CCN1CCOC[C@@H]1CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 1588657085 GQTGTFUISORSQH-NSHDSACASA-N 317.353 -0.189 30 20 DBED COCCO[C@@H]1CCN(c2cnc(-c3nn[nH]n3)c(C#N)n2)C1 1591434091 OFSHDCLGYPHGFW-SECBINFHSA-N 316.325 -0.230 30 20 DBED N#CC1(CS(=O)(=O)NC(=O)c2ccc(-c3nn[nH]n3)o2)CC1 1592669476 JFJRSJOBIXAPOE-UHFFFAOYSA-N 322.306 -0.177 30 20 DBED N#CC1(CNC(=O)c2cccn(CC(=O)O)c2=O)CCOCC1 1594603478 CYLVONHECIWQQN-UHFFFAOYSA-N 319.317 -0.017 30 20 DBED C[C@@H]1[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCN1CC#N 1605428785 LUKAIHLAKIYBAK-SCZZXKLOSA-N 300.326 -0.089 30 20 DBED N#Cc1ncc(N2CC[C@@H](N3CC=CC3)C2)nc1-c1nn[nH]n1 1606397304 MJKINACBXOQFTE-SNVBAGLBSA-N 309.337 -0.021 30 20 DBED Cn1nccc1CCC(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[nH]1 1609483291 UTQVZNVEGQOWJZ-UHFFFAOYSA-N 312.297 -0.234 30 20 DBED COC(=O)[C@H](NCC(=O)NCC#N)c1cccc(C(=O)O)c1 1610153315 HTDDNUCFNMDSIV-GFCCVEGCSA-N 305.290 -0.172 30 20 DBED COC(=O)CN(C(=O)Cn1cnc(C#N)n1)C1CCOCC1 1649725122 MLXFLOHJOQRFEJ-UHFFFAOYSA-N 307.310 -0.670 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)NC1CCN(CC(N)=O)CC1 1650030060 XEUZXKJOWSLTMU-SNVBAGLBSA-N 317.415 -0.996 30 20 DBED C#CCN1CCN(CCCNC(=O)[C@H]2C[C@@H]2C(=O)OC)CC1 1752339015 FOFQOLRGCBFCFP-KBPBESRZSA-N 307.394 -0.447 30 20 DBED C=CCOCC(=O)NCCN1CCN(Cc2nc(C)no2)CC1 1752362933 IYDONTFQISIUIY-UHFFFAOYSA-N 323.397 -0.186 30 20 DBED C#CCN1CCN(CCNC(=O)[C@@H](C)Cc2cnc[nH]2)CC1 1752374654 MOKRSGFJDWIKEB-AWEZNQCLSA-N 303.410 -0.045 30 20 DBED CNC(=O)NCC(=O)NC[C@@H]1CCCCN1CC#CCOC 1752820691 HDZKCGKJHZLORO-ZDUSSCGKSA-N 310.398 -0.464 30 20 DBED C#CCNC(=O)CNC[C@H]1CCN(C(=O)c2ccsn2)C1 1752944596 WNIZWIFWTOFRRT-LLVKDONJSA-N 306.391 -0.056 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@H]1CCCN1CC(=O)NC(N)=O 1753105775 REQBZMWDOGJFNT-IINYFYTJSA-N 312.370 -0.911 30 20 DBED C=CCN1CC[C@H](N2CC(CNC(=O)C3(C(N)=O)CC3)C2)C1=O 1753410173 AKSAQPOXNZGZBC-LBPRGKRZSA-N 320.393 -0.913 30 20 DBED C=CCNC(=O)CN1CC[C@H](N(C)C(=O)Cc2cnc[nH]2)C1 1753445923 SLCVGEDQYOHDHU-ZDUSSCGKSA-N 305.382 -0.213 30 20 DBED C#CCNC(=O)CN[C@@H](CC)CNC(=O)c1ccc(=O)n(C)c1 1753476383 AMWLMZVCUHNZGB-ZDUSSCGKSA-N 318.377 -0.767 30 20 DBED C=CCNC(=O)CNC[C@@H](C)NC(=O)[C@@H]1CCN(C(=O)CC)C1 1754248778 WMYNGHMYLNPVSL-CHWSQXEVSA-N 324.425 -0.359 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@@](C)(NC(=O)c2nc[nH]n2)C1 1754681119 AQGZPMJULDKDTQ-QMTHXVAHSA-N 304.354 -0.863 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@]1(O)CCN(CCn2cccn2)C1 1754751524 NZLUWACMFGERNQ-GOEBONIOSA-N 320.393 -0.526 30 20 DBED C#CCCNCC1(NC(=O)CCN2CCOCC2)CCOCC1 1755098269 MSPQEWVYDOHAKG-UHFFFAOYSA-N 323.437 -0.013 30 20 DBED C=CCNC(=O)CN[C@H](CO)CNC(=O)c1sccc1F 1755626956 AEBWOBJJJYGZFL-VIFPVBQESA-N 315.370 -0.130 30 20 DBED C#CCCN[C@@H](CO)CNC(=O)c1cccc(-n2cnnn2)c1 1755647003 VWOYCOYMDVQQNV-CYBMUJFWSA-N 314.349 -0.634 30 20 DBED CC#CCNC[C@@H](O)CN(C)C(=O)c1cc(=O)c(OC)co1 1755783535 UCSBONGMSXDEJG-LLVKDONJSA-N 308.334 -0.306 30 20 DBED C=CCNC(=O)CNC1CC(N(C)C(=O)c2cccnn2)C1 1755863278 QFFGTASOPULYCZ-UHFFFAOYSA-N 303.366 -0.029 30 20 DBED C#CCOCCC(=O)N[C@H](CO)CNC(=O)c1cnc(C)cn1 1756502765 SRKODXQQNSUNRT-LBPRGKRZSA-N 320.349 -0.968 30 20 DBED Cc1cccc(C(=O)N[C@H](CO)CNC(=O)CSCC#N)n1 1756504149 WZOYGUYIFWDOSI-NSHDSACASA-N 322.390 -0.146 30 20 DBED C/C=C(\C)C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1783074049 XNAKXODEKCYMFE-SCRJODNZSA-N 320.345 -0.130 30 20 DBED C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1CCC(=O)N1C)C2 1801599863 DDUOQUSBNVTTPM-RNJOBUHISA-N 303.362 -0.121 30 20 DBED N#CCC(=O)N1CC[C@H](CNC(=O)CN)[C@H]1c1cccnc1 1807030632 CKUSAMHEQXWWOK-IUODEOHRSA-N 301.350 -0.040 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)[C@@H](O)CC)C2 1841598147 PPRMLYGKEVEVPR-STQMWFEESA-N 308.378 -0.001 30 20 DBED C#CCNC(=O)COC(=O)Cn1nnc2ccccc2c1=O 26480014 TVWMRNRPTRRQBA-UHFFFAOYSA-N 300.274 -0.916 30 20 DBED C=C(C)CNC(=S)NNC(=S)NCCN1CCOCC1 47582189 GECSKWKYXLBUBL-UHFFFAOYSA-N 317.484 -0.262 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCCCn2cccn2)C1=O 53270392 GXTWOUQYLRTTQM-UHFFFAOYSA-N 319.321 -0.634 30 20 DBED N#Cc1ccc(OC[C@H](O)CN2CCN(CC(N)=O)CC2)cc1 54978411 FXPYNVRQFNSONX-CQSZACIVSA-N 318.377 -0.599 30 20 DBED CCn1cc(C#N)c(=O)n(CCn2ccc([N+](=O)[O-])n2)c1=O 178488493 NJGKXGPZHILWOJ-UHFFFAOYSA-N 304.266 -0.294 30 20 DBED N/C(=N/CCn1ccnc1)N1CCN(c2ncccn2)CC1 262949411 BODMWGWRPHBCGK-UHFFFAOYSA-N 300.370 -0.190 30 20 DBED CNC(=O)NCC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 270548423 ZLNJDMUQTCJSEU-SNVBAGLBSA-N 317.353 -0.686 30 20 DBED C#CCNC(=O)c1ccc(N2CCN(CCOC)C(=O)C2)nc1 271056207 BDVWGBYQPJACLS-UHFFFAOYSA-N 316.361 -0.260 30 20 DBED CNC(=O)[C@H]1CN(C(=O)C(=O)Nc2ccc(C#N)cc2)CCO1 272889677 WRXSYEHNWSHJQN-GFCCVEGCSA-N 316.317 -0.530 30 20 DBED C#CCOc1ccccc1NC(=O)C(=O)NC[C@@]1(O)CCOC1 274836137 AXWJYQGQXWAFTM-INIZCTEOSA-N 318.329 -0.095 30 20 DBED C#CCO[C@H](C)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 294890787 IRLWZTAHIJZWJZ-KGLIPLIRSA-N 307.394 -0.210 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2CCO[C@H](CC)C2)C1=O 298009945 ZCXTXCPEJQSFAY-CHWSQXEVSA-N 323.393 -0.131 30 20 DBED C[C@H]1CN(/C(O)=N/[C@@H]2[C@H]3COC[C@H]32)CCN1S(C)(=O)=O 330008376 FJRFQHIGZJKOFY-UKKRHICBSA-N 303.384 -0.489 30 20 DBED C=CCN(C(=O)CNS(=O)(=O)CC)[C@H]1CCS(=O)(=O)C1 330481619 RVFSRNBBWOOWNO-JTQLQIEISA-N 324.424 -0.873 30 20 DBED C[C@H](N[C@@H]1CCC[C@H]1C#N)C(=O)c1c(N)n(C)c(=O)n(C)c1=O 330803422 BBZYIUNGHKHSJY-LPEHRKFASA-N 319.365 -0.481 30 20 DBED COc1ncccc1C/N=C(/O)N1CC[C@@H](S(N)(=O)=O)C1 331043947 FLEQHSXJXSPHDC-SNVBAGLBSA-N 314.367 -0.133 30 20 DBED CN(C)C(=O)COC1CN(S(=O)(=O)c2ccc(C#N)o2)C1 331393172 KQGAIENZKHETBH-UHFFFAOYSA-N 313.335 -0.371 30 20 DBED COCCN([C@@H](C)C(N)=O)S(=O)(=O)N(C)C[C@H](C)C#N 337103079 XSZANUUCUZGNOV-ZJUUUORDSA-N 306.388 -0.855 30 20 DBED C=CCNC(=O)CNC(=O)CN1C(=O)c2ccccc2C1=O 347906390 WGAKRDYTDHYIDO-UHFFFAOYSA-N 301.302 -0.299 30 20 DBED CCC[C@H]1C(=O)NCCN1S(=O)(=O)N(C)C[C@H](C)C#N 407951657 GDSDNYCPRIGOGT-MNOVXSKESA-N 302.400 -0.077 30 20 DBED CCNC(=O)N1CCN(S(=O)(=O)N(C)C[C@@H](C)C#N)CC1 407955526 RONHDVQMJXGHAL-NSHDSACASA-N 317.415 -0.330 30 20 DBED C=CCn1cccc1C(=O)N1CCN(S(=O)(=O)NC)CC1 412315637 ARZKIXDOSWDVQK-UHFFFAOYSA-N 312.395 -0.104 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1CC(O)(C(F)F)C1 425205242 VIWKZCIOOCQJNM-UHFFFAOYSA-N 313.326 -0.595 30 20 DBED CCN(CCC#N)S(=O)(=O)N[C@H]1CCC(=O)N(C)C1=O 425224758 ORJZXYJPBGDISK-VIFPVBQESA-N 302.356 -0.796 30 20 DBED COC(=O)CC1(CS(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 437247801 PXQYJRIUZRTPRQ-JTQLQIEISA-N 302.352 -0.116 30 20 DBED COC(=O)[C@@H](O)C1CCN(S(=O)(=O)N(C)CCC#N)CC1 443488740 IXIIJIRUXGJYPW-NSHDSACASA-N 319.383 -0.677 30 20 DBED C#CCNC(=O)CN1CCN(CC(=O)NCC2CCC2)CC1 491128147 ZEKKYRJAACERSL-UHFFFAOYSA-N 306.410 -0.730 30 20 DBED C#CCN1CCN(C(=O)CN2CCCc3c(cnn3C)C2)CC1 491634405 REDFYDFXHKYUMS-UHFFFAOYSA-N 315.421 -0.054 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(CC(=O)Nc2nncs2)CC1 523409586 FREBGUAMQKMYCL-VIFPVBQESA-N 308.367 -0.220 30 20 DBED CCN(CC)S(=O)(=O)CC(=O)NC1(C#N)CCN(C)CC1 531054147 KDFITJBAIYDIRO-UHFFFAOYSA-N 316.427 -0.238 30 20 DBED N#C[C@]1(NC(=O)CNS(=O)(=O)c2ccccc2)CCOC1 569578239 HWSFZVDFZRRIMK-CYBMUJFWSA-N 309.347 -0.236 30 20 DBED N#Cc1ccc(S(=O)(=O)NCC(=O)NCCCCN)cc1 576161127 ONUVEJBWPDPOQK-UHFFFAOYSA-N 310.379 -0.308 30 20 DBED CC(C)(C#N)CCS(=O)(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 576552285 HIKDGSMEPFXISP-SECBINFHSA-N 314.367 -0.508 30 20 DBED CCN1CCC[C@H]1CNC(=O)C(=O)NC1CCN(CC#N)CC1 588127335 CSRRXOYFVKJSJY-AWEZNQCLSA-N 321.425 -0.309 30 20 DBED CNC(=O)[C@H](CC(C)C)NC(=O)NCCn1cnc(C#N)n1 588731324 WDQHXVLRUFLQNO-JTQLQIEISA-N 307.358 -0.390 30 20 DBED CN1C(=O)CC[C@@H](NC(=O)NC2CCN(CC#N)CC2)C1=O 591846159 MGMGGPGMEFPHGG-LLVKDONJSA-N 307.354 -0.579 30 20 DBED CCN1C[C@H](CNS(=O)(=O)N(C)C[C@@H](C)C#N)CC1=O 593641832 UAOSLWXWFROZQS-QWRGUYRKSA-N 302.400 -0.219 30 20 DBED CC1CCC(O)(CNS(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 595409637 FDXFLYVBRBCINP-CPCZMJQVSA-N 317.411 -0.014 30 20 DBED CN1CC[C@H](N2CCC(N=c3nc[nH]cc3C#N)CC2)C1=O 601178462 RBLLIVKJPLSPMT-ZDUSSCGKSA-N 300.366 -0.123 30 20 DBED Cc1c(C#N)c(=O)n(CC(=O)N2C[C@H](C)O[C@@H](C)C2)c(=O)n1C 603359391 OLZWOIOVBIZZKN-UWVGGRQHSA-N 320.349 -0.637 30 20 DBED N#Cc1nc(=N[C@H]2CCCN(CCN3CCOCC3)C2)cc[nH]1 603424518 ZPGQZCWRPOVCIL-AWEZNQCLSA-N 316.409 -0.021 30 20 DBED C#Cc1ccc(C(=O)N2CCN(C(=O)CN(C)C)CC2)nc1 728862195 ZAEFOAGOWPUAPG-UHFFFAOYSA-N 300.362 -0.091 30 20 DBED CC(CN1C(=O)CCC1=O)=NN=c1nc2[nH][nH]cc-2c(O)n1 754943804 IPHOWKFKXZGJEG-UHFFFAOYSA-N 303.282 -0.631 30 20 DBED C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)OC[C@H](C)C#N 770949304 UPEKEXJHONECHF-BDAKNGLRSA-N 300.340 -0.210 30 20 DBED C#Cc1cncc(C(=O)N(C)C[C@@H](O)CN2CCOCC2)c1 798298377 DJWOSUKBDYTJRW-OAHLLOKOSA-N 303.362 -0.172 30 20 DBED CCn1nncc1C(=O)NS(=O)(=O)c1cncc(C#N)c1 816095242 VSKAWZXPQSRNNT-UHFFFAOYSA-N 306.307 -0.317 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCS(=O)(=NS(C)(=O)=O)CC1 821300862 ZOOVHSINJUNGHP-SNVBAGLBSA-N 323.440 -0.580 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)Cc2cnccc2C)CC1 825966799 AHIQRZCTNNSOFN-UHFFFAOYSA-N 314.389 -0.174 30 20 DBED NC(=O)CN1CCN(C(=O)c2cccc(C#CCO)c2)CC1 828644405 RJRCXLLYWFCHSU-UHFFFAOYSA-N 301.346 -0.727 30 20 DBED Cn1c(=O)n(CCC(=O)N[C@H]2CNC[C@H]2C#N)c2ccccc21 834516494 IZZMBUNXHBVWJN-NEPJUHHUSA-N 313.361 -0.042 30 20 DBED O=C(CN1C(=O)NC2(CCCC2)C1=O)N[C@H]1CCCN(O)C1=O 848137753 JBTSDNDTZYUZNG-VIFPVBQESA-N 324.337 -0.653 30 20 DBED C=CC[C@H](NC(=O)C(=O)NC[C@@H]1COCCN1)c1ccncc1 861735729 UVUWLKFETAGHQJ-KGLIPLIRSA-N 318.377 -0.080 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)[C@H]1CNC(=O)C[C@H]1C(F)(F)F 873456863 VKOCCPFSXUVHQA-XHNCKOQMSA-N 320.267 -0.018 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N1CC(N2CCCC2=O)C1 907737035 LDQQMPYGQSSRIL-JTQLQIEISA-N 300.384 -0.228 30 20 DBED C=CCN[C@@H]1CN(C(=O)c2cn(C)c(=O)n(C)c2=O)C[C@H]1C 939240540 IRWAZTRZOIEYPR-ZYHUDNBSSA-N 306.366 -0.680 30 20 DBED C[C@H](C#N)C(=O)N1CCC2(CCN(C(=O)CC(N)=O)C2)CC1 944415015 PYWOVSFMGRSIGF-LLVKDONJSA-N 306.366 -0.137 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)c2cnns2)C1 944494783 GYNCJBLFYXQVMK-BDAKNGLRSA-N 309.351 -0.345 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(NC(=O)c2c[nH]c(C(N)=O)c2)CC1 948102452 MHHSLZHWQCMLOV-VIFPVBQESA-N 317.349 -0.006 30 20 DBED CC1(NC(=O)c2c[nH]c(C#N)c2)CCN(C(=O)CC(N)=O)CC1 956342671 CLCMSWBIUNKSQT-UHFFFAOYSA-N 317.349 -0.127 30 20 DBED CC(C)CCn1cc(C(=O)NC[C@H]2CN(CC#N)C[C@H]2O)nn1 958403139 ABWFOVPJHQDYJM-GXTWGEPZSA-N 320.397 -0.130 30 20 DBED C=CCN1C[C@H](O)[C@H](CNC(=O)c2nc3ncccn3n2)C1 958507240 NHIOOQMUUKYGKP-MNOVXSKESA-N 302.338 -0.667 30 20 DBED CCn1nncc1C(=O)NC[C@H]1COCCN1C(=O)[C@@H](C)C#N 964177926 IHGSGACLWZFMEP-QWRGUYRKSA-N 320.353 -0.585 30 20 DBED C[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)Cc1nc[nH]n1 966406148 DMHHNENOJICCEH-CMPLNLGQSA-N 301.350 -0.276 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H](N(C)C(=O)Cn2cnnn2)CC1 967472872 PTLCDMZKUYIFOW-RYUDHWBXSA-N 319.369 -0.328 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)C[C@H]3CCC(=O)NC3)[C@H]2C1 976630252 WYKPUTJPVUSPJQ-CYRTVHNOSA-N 318.377 -0.365 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)C[C@H]3CCN(C)C3=O)[C@H]2C1 976683601 KSDVSEFKRFUIKF-SSKLVLDBSA-N 318.377 -0.413 30 20 DBED C=C1CC(C)(C(=O)N2C[C@H]3[C@H](NC(=O)[C@@H]4CNC(=O)N4)[C@H]3C2)C1 977086766 ZFBNOCXTVAVPIB-WHOHXGKFSA-N 318.377 -0.403 30 20 DBED C#CCN1C[C@H](NC(=O)c2nc(O)nc(O)c2OC)C(C)(C)C1 977467179 JMMPTLIMKYRAIL-VIFPVBQESA-N 320.349 -0.030 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCC1[C@@H]2CN(CC(=O)NC)C[C@@H]12 978282493 NRZIVIGEGNEBCH-KKUMJFAQSA-N 318.421 -0.876 30 20 DBED C#CCN[C@@H]1CCC[C@@H](NC(=O)Cn2ccc(O)nc2=O)C1 981205316 GLBZASSOGZLPSP-VXGBXAGGSA-N 304.350 -0.401 30 20 DBED C#CCN[C@@H]1CCN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)[C@H]1C 987188415 IRMPFEQJHGOYRN-CMPLNLGQSA-N 314.349 -0.717 30 20 DBED C#Cc1ccc(C(=O)N2CC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cn1 991299113 RJOOIALLEARSPW-CHWSQXEVSA-N 314.301 -0.331 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@@H](NC(=O)c2cnnn2C)[C@H](O)C1 991445627 YROOWPGRYYSLPS-ZYHUDNBSSA-N 321.381 -0.281 30 20 DBED C#CCN1CC[C@]2(NC(=O)[C@H]3CN(C(C)=O)CCO3)CCC[C@H]12 992465229 JPJZYRWXGVDWAU-HLLBOEOZSA-N 319.405 -0.020 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC(NC(=O)c3cnnc(O)c3)C2)c1 994037863 CENDDCYVJBLMHY-UHFFFAOYSA-N 312.289 -0.364 30 20 DBED CN1C(=O)CC[C@@H]1C(=O)NC1CN(C(=O)c2cc(C#N)c[nH]2)C1 998075901 ZVNAPSLURGCSNB-GFCCVEGCSA-N 315.333 -0.552 30 20 DBED C#Cc1cncc(C(=O)N2CC(CNC(=O)c3nc[nH]n3)C2)c1 1003693888 NAEBWSUXWWQSKC-UHFFFAOYSA-N 310.317 -0.317 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)CC(N)=O)[C@@H]2C)cn1 1011584268 AQRNMTBSRPYTII-ZWNOBZJWSA-N 314.345 -0.343 30 20 DBED N#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)CC[C@H]1CC[C@@H](C(N)=O)O1 1017744943 LZQLKIDXNVXXHX-RQJABVFESA-N 320.393 -0.002 30 20 DBED N#CCN[C@H]1CCN(C(=O)Cn2nc3ccccn3c2=O)C1 1019215421 XAEJTCFNAJJNFI-NSHDSACASA-N 300.322 -0.790 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCN(C(=O)c3cnn(C)n3)C2)C1 1019362853 GWALXXFTTBPGMN-JTQLQIEISA-N 302.338 -0.351 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@H](NCc3nnn(C)n3)C2)cn1 1019673886 OZDYTLDZFXUURO-ZDUSSCGKSA-N 311.349 -0.409 30 20 DBED C=C(C)CN[C@H]1C[C@H](NC(=O)[C@@H]2CCN(C)S2(=O)=O)C1 1020720888 IWYHRNRJUXXYIA-SRVKXCTJSA-N 301.412 -0.167 30 20 DBED C=CCCn1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)CC)C2)nn1 1022848984 YKWNFESRTCWIOW-ZYHUDNBSSA-N 307.354 -0.434 30 20 DBED C#CCN1CCC[C@H](CNC(=O)c2cn(C)c(=O)n(C)c2=O)C1 1023624630 CVLYWGOJBAOZIL-GFCCVEGCSA-N 318.377 -0.841 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCN1Cc1nnn(C)n1 1028141318 BJXGYSNWDOKGKN-UPJWGTAASA-N 320.397 -0.118 30 20 DBED CC#CCN1CC[C@H](CNC(=O)c2cc(=O)n3[nH]cnc3n2)C1 1028928417 JGMJKUSYVJLCCI-LLVKDONJSA-N 314.349 -0.507 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)[C@@H]3CCN(C)C3=O)C2)C1=O 1030814794 VWURBYVLKKCNLM-STQMWFEESA-N 320.393 -0.948 30 20 DBED O=C1NC[C@H](C(=O)NC2CN(CC#Cc3ccc(F)cc3)C2)N1 1030877900 FMLFSOIBPAGNBS-CQSZACIVSA-N 316.336 -0.341 30 20 DBED C=CCn1cc(C(=O)N2C[C@@H]3C[C@H]2CN3[C@H]2CCNC2=O)nn1 1032671557 WJZUIQNBAPGBNP-GVXVVHGQSA-N 316.365 -0.749 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)[C@@H]2CCN(C)S2(=O)=O)C1 1033502380 PIYMBMWNUBCSGB-NEPJUHHUSA-N 301.412 -0.261 30 20 DBED CNC(=O)[C@@H](C)N1CCO[C@@H](CNC(=O)c2ccc(C#N)[nH]2)C1 1035331583 LYMNPCWMAWFHBZ-PWSUYJOCSA-N 319.365 -0.549 30 20 DBED Cn1cc([C@@H]2C[C@H]2C(=O)NC[C@H]2CN(CC#N)CCO2)cn1 1035520282 PXPOPGHFHICCHB-MELADBBJSA-N 303.366 -0.136 30 20 DBED N#CCN1CCO[C@H](CNC(=O)[C@H]2CCc3nn[nH]c3C2)C1 1035574848 UMLZOVNFHSUVFK-WDEREUQCSA-N 304.354 -0.750 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)c3nccnc3C(N)=O)CC[C@H]21 1036889738 HEFJKITXYUZELF-VXGBXAGGSA-N 313.361 -0.255 30 20 DBED N#Cc1ccc(CN2C[C@H]3C[C@H]2[C@H]3NC(=O)C(N)=O)c(F)c1 1037566375 IHTDIVFMIQKKAB-WXHSDQCUSA-N 302.309 -0.128 30 20 DBED C#CCN1CCC(C(=O)NC[C@H]2CCN2[C@H]2CCNC2=O)CC1 1039041456 CVPVNGCOBJVIHX-CABCVRRESA-N 318.421 -0.589 30 20 DBED Cn1nncc1C(=O)N1CC[C@H]2CN(c3ccc(C#N)nn3)C[C@H]21 1040603305 LTYOSAOXXFSHTJ-GXFFZTMASA-N 324.348 -0.172 30 20 DBED Cc1c[nH]c(C(=O)N[C@@H]2CN(c3ccnc(C#N)n3)C[C@H]2O)n1 1041376944 BHAVMAAFUDIMHL-NXEZZACHSA-N 313.321 -0.641 30 20 DBED N#CCN1CC[C@]2(CCN(C(=O)CN3CCCNC3=O)C2)C1 1041440024 JKEUJBKWAOPEPT-HNNXBMFYSA-N 305.382 -0.150 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)c2ccccc2O)C1 1041541730 AHBUMMMHNUNEGI-UHFFFAOYSA-N 320.345 -0.102 30 20 DBED N#CCSCC(=O)NCC1(O)CN(C(=O)c2ccon2)C1 1041568329 HULFEXKEPGXNDU-UHFFFAOYSA-N 310.335 -0.766 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)[C@H](C)n2cccn2)C1 1041613361 SMFBPQLWBGYYDY-ZDUSSCGKSA-N 318.377 -0.063 30 20 DBED N#CCN1CC[C@H]2CCN(C(=O)CCN3C(=O)CCC3=O)C[C@@H]21 1042143669 ZGNWEJVFIIBSDG-STQMWFEESA-N 318.377 -0.028 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1042942956 HWKAQWLQJHSXNT-IMRBUKKESA-N 306.362 -0.772 30 20 DBED C#Cc1ccc(C(=O)N(C)C2CN([C@H](C)C(=O)NC)C2)nc1 1044203836 WBTFCZZSYFGRRA-LLVKDONJSA-N 300.362 -0.046 30 20 DBED C=C[C@@H](CC)CC(=O)NCC1(O)CN(C(=O)[C@@H]2CCNC2=O)C1 1045072122 CCEKCUXUEHENBE-NWDGAFQWSA-N 323.393 -0.586 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cncc(C(N)=O)c2)C1 1047632164 ZWBRYBFXPURIID-STQMWFEESA-N 304.350 -0.516 30 20 DBED CC(C)C#CC(=O)N(C)[C@H]1CN(C(=O)c2cocn2)C[C@@H]1O 1048811334 VPPDOSHEQOYKSI-STQMWFEESA-N 305.334 -0.022 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2ccn(C)n2)C1 1048874237 UDUREXZKXMKGEV-KBPBESRZSA-N 318.377 -0.133 30 20 DBED C#CCN1C[C@H]2CN(C(=O)Cc3c(C)nc(O)nc3O)C[C@H]2C1 1049129547 PCZGJPKRJUHJMP-TXEJJXNPSA-N 316.361 -0.238 30 20 DBED N#CCN1CC[C@H]2[C@H]1CCCN2C(=O)CN1CC(=O)NC1=O 1049791657 XJVIMAMYZRXJBS-MNOVXSKESA-N 305.338 -0.873 30 20 DBED C=CCN1CCOC[C@H]1CNC(=O)c1cnc2c(c1)nnn2C 1051024457 CEFXFONPKPTCOU-GFCCVEGCSA-N 316.365 -0.020 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1C 1052487973 FAIAGBBGICOMDA-VXGBXAGGSA-N 321.381 -0.158 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)Cn2nccn2)C[C@H]1C 1052682948 FKVIDXIEGIUQOS-OLZOCXBDSA-N 321.381 -0.309 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCCN([C@@H](C)C(N)=O)CC2)nn1 1052774846 LKBNKZONGKNDMK-NWDGAFQWSA-N 320.397 -0.078 30 20 DBED N#CCN1CCC[C@H](NC(=O)c2nccnc2C(N)=O)CC1 1052921530 JONLRLZHQQGWRY-JTQLQIEISA-N 302.338 -0.317 30 20 DBED CC(=O)N1CC[C@H](C(=O)N2CCOC3(CN(CC#N)C3)C2)C1 1053519880 BBHHFAOJUHEKRO-ZDUSSCGKSA-N 306.366 -0.708 30 20 DBED C=CCCN1CC2(CC[C@@H](CNC(=O)[C@@H]3CNC(=O)N3)O2)C1 1053655355 JUGSLIGUVYFPLL-RYUDHWBXSA-N 308.382 -0.407 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)c3c[nH]c(C(N)=O)c3)CO2)C1 1054008412 AEYAORDCWCXQSA-GFCCVEGCSA-N 316.361 -0.290 30 20 DBED C[C@@H](C(=O)N[C@H]1COC2(C1)CN(CC#N)C2)N1CCOCC1 1054025577 BWENRBLPHPTNCC-QWHCGFSZSA-N 308.382 -0.810 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)C[C@H]3CC(=O)NC3=O)CO2)C1 1054026010 OLXDJESCLGNODV-NWDGAFQWSA-N 319.361 -0.978 30 20 DBED C=CCOCC(=O)N1CCC[C@@](CO)(NC(=O)[C@@H](C)OC)C1 1055806073 KGQZJRUFIVACMF-IUODEOHRSA-N 314.382 -0.306 30 20 DBED Cn1cnc(C(=O)N[C@H]2[C@@H]3CN(c4ccc(C#N)cn4)C[C@@H]32)n1 1056201939 MRCULWGOJMHXJY-PJXYFTJBSA-N 309.333 -0.054 30 20 DBED N#Cc1cncc(N2C[C@@H]3C(NC(=O)[C@@H]4[C@H]5COC[C@H]54)[C@H]3C2)n1 1056365969 QTRFAQKOANUGOS-ZXPJVPCYSA-N 311.345 -0.209 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)[C@H]1C[C@H]1OCC 1057087838 SHTCJFCRWFRBSS-QWHCGFSZSA-N 314.382 -0.449 30 20 DBED N#Cc1nc(=NC2CCN(C(=O)[C@H]3CCC(=O)N3)CC2)cc[nH]1 1057295157 WMOAAJXCQOVOER-LLVKDONJSA-N 314.349 -0.548 30 20 DBED C#CCNC(=O)CC(=O)N(CCO)CCNC(=O)/C(C)=C\C 1057390519 DHXDKXAYVYPRQZ-XGICHPGQSA-N 309.366 -0.971 30 20 DBED C=C[C@](C)(O)CC(=O)N(CCO)CCNC(=O)C#CC(C)C 1057449387 AZILBXGDRNJOSQ-INIZCTEOSA-N 310.394 -0.090 30 20 DBED N#Cc1cncc(N2CCC(NC(=O)Cn3cncn3)CC2)n1 1057870787 HDLUTAJIYYHWDW-UHFFFAOYSA-N 312.337 -0.275 30 20 DBED N#Cc1cncc(N2CCC[C@H](NC(=O)[C@@H]3COCCO3)C2)n1 1058120644 SWKJZJBNIWRJKH-AAEUAGOBSA-N 317.349 -0.151 30 20 DBED Cn1cnc(C(=O)N[C@@H]2CCCN(c3nccnc3C#N)C2)n1 1058153924 OUBMZVCEXIBAFG-SNVBAGLBSA-N 312.337 -0.124 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)C12CCCN1CCC2 1058653405 UWIIGRDAFFPQIA-ZDUSSCGKSA-N 322.409 -0.288 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@@H](CCNC(=O)CNC(C)=O)C1 1059646611 UTSMXBFVEANIKS-TZMCWYRMSA-N 323.393 -0.484 30 20 DBED CCOCC(=O)NC[C@H]1COCCN1C(=O)c1c[nH]c(C#N)c1 1061237728 VJYNNEHRSCZAET-ZDUSSCGKSA-N 320.349 -0.120 30 20 DBED COCCOCC(=O)NC[C@@H]1COCCN1C(=O)[C@H](C)C#N 1061436601 HNLWFTWJKLICLE-VXGBXAGGSA-N 313.354 -0.847 30 20 DBED C#CCCCC(=O)NC[C@@H]1COCCN1C(=O)c1ncn(C)n1 1061540566 NORWVVUBHGAADA-GFCCVEGCSA-N 319.365 -0.424 30 20 DBED Cc1nn[nH]c1C(=O)N1CCOC[C@@H]1CNC(=O)C#CC1CC1 1061572890 HFLJTUGMUBSEOV-LBPRGKRZSA-N 317.349 -0.516 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H]1COCCN1C(=O)CCOC 1061584800 MZBQMWPJWGNGBY-QWHCGFSZSA-N 312.366 -0.595 30 20 DBED C=CCO[C@@H](C)C(=O)NC[C@H]1COCCN1C(=O)c1nc[nH]n1 1061668555 RYHFXBQGNPJQPX-QWRGUYRKSA-N 323.353 -0.647 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)CCCC(N)=O 1061683419 DXLLIPMRBGXFAJ-MNOVXSKESA-N 310.354 -0.855 30 20 DBED N#Cc1ccc(N2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2COC(=O)N2)cn1 1062481414 NWYCVABZPVLHNS-AVGNSLFASA-N 313.317 -0.149 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(NC(=O)[C@H]2CCNC2=O)CCC1 1062870990 RRGCNTLFSZNGPN-NHYWBVRUSA-N 323.393 -0.395 30 20 DBED C=CCOCC(=O)NC1(CNC(=O)[C@@H]2CC(=O)N(C)C2)CCC1 1063328151 ZMMIVKQTSHEULV-GFCCVEGCSA-N 323.393 -0.178 30 20 DBED N#Cc1ccc(N2CC[C@H]3CN(C(=O)CC(N)=O)CC[C@@H]32)nn1 1064000178 RVRRFDXLPQTVSQ-JQWIXIFHSA-N 314.349 -0.349 30 20 DBED C=CCOCC(=O)NC1(CNC(=O)[C@]2(C)CCNC2=O)CCC1 1064539778 KYDASMIOOQIPEW-OAHLLOKOSA-N 323.393 -0.130 30 20 DBED C=CCCC(=O)N1CCO[C@H](CNC(=O)[C@@H]2CCC(=O)NC2)C1 1064959805 NWCBGQOQAVELQU-CHWSQXEVSA-N 323.393 -0.178 30 20 DBED C=CCOCC(=O)N1CCO[C@@H](CNC(=O)[C@@H]2CCOC2)C1 1064972636 YXRVVWXCJDQMCM-OLZOCXBDSA-N 312.366 -0.431 30 20 DBED CC(C)C#CC(=O)N1CCO[C@H](CNC(=O)CCN(C)C)C1 1065129115 NZOSKIAYTALVMT-CQSZACIVSA-N 309.410 -0.059 30 20 DBED N#Cc1nccc(N2C[C@H]3CN(C(=O)c4nc[nH]n4)C[C@H]3C2)n1 1066017385 JUZYRZUQQNXGSY-AOOOYVTPSA-N 310.321 -0.325 30 20 DBED C[C@H](C#N)C(=O)N(C)CCCN(C)C(=O)[C@@H]1CCNC(=O)C1 1067174364 QHHUNNSHVRNRPK-VXGBXAGGSA-N 308.382 -0.021 30 20 DBED N#Cc1ccc(NC[C@H]2C[C@H](NC(=O)Cn3nccn3)C2)nn1 1068535784 VNLHIKUKZYJKKB-UMSPYCQHSA-N 312.337 -0.053 30 20 DBED Cc1nc[nH]c1C(=O)N1CC2(C[C@H](NC(=O)[C@@H](C)C#N)CO2)C1 1069007061 ABMPYXXKOPCSRB-ONGXEEELSA-N 317.349 -0.023 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)c2cnn(C)c2)CCOCC1 1069979069 BYHQVSSZJRJHAS-LLVKDONJSA-N 319.365 -0.025 30 20 DBED C#CCN[C@@H]1CN(C(=O)Cc2cnn(C)c2)C[C@@H]1n1ccnn1 1070155017 OMEUOAOIAFOVIC-KGLIPLIRSA-N 313.365 -0.771 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCCN(C(=O)c2ncn(C)n2)C1 1070689463 ZEWWOYFNGSJVHL-GFCCVEGCSA-N 319.365 -0.424 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(=O)NCCN(C[C@H]2CCOC2)CC1 1070948237 FDDYWSQXAOLKRK-UONOGXRCSA-N 322.409 -0.167 30 20 DBED CCn1cc(C(=O)N2CCC(=O)NCCN(CC#N)CC2)cn1 1070949580 MBKWRSVJVNNHSH-UHFFFAOYSA-N 318.381 -0.309 30 20 DBED Cn1ncc(C(=O)N2CCC[C@@H](NC(=O)C#CC3CC3)C2)n1 1070984803 WPOJWUQXCXZJLH-GFCCVEGCSA-N 301.350 -0.051 30 20 DBED C#Cc1cncc(C(=O)N2CCC[C@@H](NC(=O)CC(N)=O)C2)c1 1071288894 KYQPUABMVXWUDP-CYBMUJFWSA-N 314.345 -0.341 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H](C)[C@@H](NC(=O)CCCOC)C1 1071932922 OTWLPBUEHKDNCR-STQMWFEESA-N 323.393 -0.484 30 20 DBED CC(=O)NCC(=O)N1CC[C@@H](NC(=O)C#CC2CC2)[C@@H](C)C1 1073946580 SRBMLQLYRDCRTQ-SMDDNHRTSA-N 305.378 -0.111 30 20 DBED C#CCCN1CCO[C@@H]2CCN(C(=O)c3c[nH]c(=O)cn3)C[C@@H]21 1074324696 OAAMLWLWFOCLIZ-UONOGXRCSA-N 316.361 -0.292 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3ncncc3C2)C1 1077119795 YVFVZHFRAXYMME-NILFDRSVSA-N 302.378 -0.071 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)Cc2c(C)nc(CC)nc2C)C1 1077412104 LJHDWJRGNLLITA-HUUCEWRRSA-N 316.405 -0.007 30 20 DBED C=CCCC(=O)N(CC)C1CN(C(=O)CN2CCNC(=O)C2)C1 1079473483 NUDBEYSLUZSWOX-UHFFFAOYSA-N 322.409 -0.556 30 20 DBED CCN(C(=O)CS(=O)(=O)CC)C1CN(C(=O)[C@H](C)C#N)C1 1079928837 VPWFGMDOFVKPOG-SNVBAGLBSA-N 315.395 -0.360 30 20 DBED C=CCCOCC(=O)N1C[C@H](CNC(=O)CSC)[C@@H](O)C1 1081231283 LHENURJZMPDTAX-RYUDHWBXSA-N 316.423 -0.122 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cnsn2)C1 1081300959 XYXLXRBBBZMDLA-CMPLNLGQSA-N 322.390 -0.253 30 20 DBED Cc1nonc1C(=O)N1C[C@H](O)[C@H](CNC(=O)C#CC2CC2)C1 1081474641 SIGOMJNEYXTTOG-NEPJUHHUSA-N 318.333 -0.659 30 20 DBED C=CCCC1(C(=O)NC[C@@H]2CN(C(=O)CC(N)=O)C[C@H]2O)CC1 1081742270 RPPBGCDDHRSGLJ-VXGBXAGGSA-N 323.393 -0.456 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cncnc1O 1083115408 GDFWKNJSEBBDLU-QWHCGFSZSA-N 302.334 -0.269 30 20 DBED Cc1ncnc(O)c1C(=O)N1CCO[C@@H]2CN(CC#N)C[C@@H]21 1083172386 ZCAKAHLBMHMMRY-WDEREUQCSA-N 303.322 -0.461 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)Cn2nnc3c2CCCC3)C1 1083785814 UNFOIXOAIZMJFW-HIFRSBDPSA-N 317.393 -0.659 30 20 DBED O=C1CC[C@@H](N2CC[C@@H]3CN(C(=O)C#CC4CC4)[C@@H]3C2)C(=O)N1 1084333980 JNWUCBDZJSEIEN-MGPQQGTHSA-N 315.373 -0.262 30 20 DBED CC(=O)NCC(=O)N[C@H](C)C[C@H](C)N=c1cc[nH]c(C#N)n1 1089210537 FDNOPXWULOQQTG-VHSXEESVSA-N 304.354 -0.399 30 20 DBED CCCOCC(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1O 1090380198 BQOQOKOWJIPAGK-VXGBXAGGSA-N 305.338 -0.559 30 20 DBED N#Cc1ccccc1CN1CC[C@@H](NC(=O)C(N)=O)[C@H](O)C1 1090534850 QQAYEFRUANQYOK-CHWSQXEVSA-N 302.334 -0.905 30 20 DBED N#Cc1ccc(N2CCN(C(=O)C(=O)NCC3CC3)CC2)nn1 1093169695 LFQHKJLCBOGZIG-UHFFFAOYSA-N 314.349 -0.477 30 20 DBED C#CCNC(=O)CC(=O)NCCNc1cc(C)nc(COC)n1 1093558431 UUHDYTRQKRCPLY-UHFFFAOYSA-N 319.365 -0.401 30 20 DBED C[C@@]1(C(=O)NCCNc2cncc(C#N)n2)CCC(=O)NC1 1094059626 NZNLYLKJIYCZRK-CQSZACIVSA-N 302.338 -0.207 30 20 DBED CC#CCN1CC(n2cc(CNC(=O)[C@H]3CCC(=O)N3)nn2)C1 1094281209 NOXQGRFYKWXXTF-CYBMUJFWSA-N 316.365 -0.947 30 20 DBED C#CCN1CC(n2cc(CNC(=O)[C@@H]3CO[C@H](C)C3)nn2)C1 1094301949 IMBRAVXXSJVURS-NEPJUHHUSA-N 303.366 -0.191 30 20 DBED N#Cc1cnc(NCCCNC(=O)CN2C(=O)CCC2=O)cn1 1094434734 KRFZRJFFPZNGSJ-UHFFFAOYSA-N 316.321 -0.585 30 20 DBED COCCOCCC(=O)NCCCN=c1cc[nH]c(C#N)n1 1094480730 ZWBJNICVSLARGE-UHFFFAOYSA-N 307.354 -0.259 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)c3ncccc3F)CC2=O)C1 1094804588 XFIQDZGREVFSSM-NSHDSACASA-N 316.336 -0.131 30 20 DBED CO[C@H]1C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC#N)N(C(C)=O)C1 1097586223 HXXCCLIYBSJPBC-QKGCVVFFSA-N 320.393 -0.133 30 20 DBED C[C@@H](CC(=O)NC[C@@H](C)Nc1nccnc1C#N)NC(N)=O 1098076799 YFHNDHGQCYYKSR-DTWKUNHWSA-N 305.342 -0.288 30 20 DBED C[C@H](CNC(=O)[C@@H]1CCCCC(=O)N1)N=c1cc[nH]c(C#N)n1 1098273935 IAUBZWHDYXBUGA-MNOVXSKESA-N 316.365 -0.254 30 20 DBED C#CCN(CCO)C1CCN(C(=O)C[C@H]2CCC(=O)N2)CC1 1098498305 NCNLHODNLNDDCZ-CYBMUJFWSA-N 307.394 -0.426 30 20 DBED C#CCN(CCO)C1CCN(C(=O)Cc2nonc2C)CC1 1098518928 WXCWUSRSIXKASS-UHFFFAOYSA-N 306.366 -0.161 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CCC(C)(C)CN1CC(=O)NC(N)=O 1098982539 LOKOMGGQMYBVEI-GHMZBOCLSA-N 323.397 -0.052 30 20 DBED C[C@@H](CCNC(=O)CCn1cnnn1)N=c1cc[nH]c(C#N)n1 1099416633 GWZSBWAWWKZWSO-JTQLQIEISA-N 315.341 -0.846 30 20 DBED CNC(=O)NCC(=O)NCC[C@@H](C)Nc1nccnc1C#N 1099747814 ISHYUFJGVBZBDF-SECBINFHSA-N 305.342 -0.416 30 20 DBED C#CCCCC(=O)N[C@@H]1CCN(CC(=O)NCCC)C[C@@H]1O 1099804153 IZHZOEWSEVDNSP-KGLIPLIRSA-N 309.410 -0.133 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)CC(C)(F)F)[C@H](O)C1 1099991124 FZEQBQFONPWUCT-GHMZBOCLSA-N 317.336 -0.668 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)c2cccc(O)n2)C1 1100215229 FEQOXYWCAGFTFE-UHFFFAOYSA-N 316.361 -0.365 30 20 DBED CN(CCNC(=O)[C@H]1C[C@H]1C(N)=O)c1ncc(C#N)cc1F 1100327947 HEJBYQPDBQHYEX-ZJUUUORDSA-N 305.313 -0.234 30 20 DBED CCc1nc(C#N)cc(N(C)CCNC(=O)c2cnn[nH]2)n1 1100400529 IDQIXVGXYVZIBQ-UHFFFAOYSA-N 300.326 -0.105 30 20 DBED CN(CCNc1ccc(C#N)cn1)C(=O)C1CC(=O)NC(=O)C1 1101683770 MUXWVWKEXYNWHI-UHFFFAOYSA-N 315.333 -0.124 30 20 DBED Cc1cc(=NCCN(C)C(=O)CCS(C)(=O)=O)c(C#N)c[nH]1 1102039005 LDGKCESRPDROED-UHFFFAOYSA-N 324.406 -0.011 30 20 DBED C=CCOCCN1C[C@@H](C)[C@H](CNC(=O)CCn2cnnn2)C1 1102479928 OHGHZJRSCLHKLW-ZIAGYGMSSA-N 322.413 -0.050 30 20 DBED CC[C@H](CNC(=O)[C@H]1CCC(=O)N1)Nc1cncc(C#N)n1 1102992042 HXRNOJXSKUSWFP-MWLCHTKSSA-N 302.338 -0.066 30 20 DBED COCCOCCC(=O)NC[C@@H](C)CN=c1cc[nH]c(C#N)n1 1104005812 LQNANOQZUUBRCB-LBPRGKRZSA-N 321.381 -0.013 30 20 DBED C#CCNCc1cn(C2CN(C(=O)[C@H]3CCCN3C)C2)nn1 1105192506 RKGFCKOLWKNOJN-CQSZACIVSA-N 302.382 -0.522 30 20 DBED CN(CCN(C)c1ccnc(C#N)n1)C(=O)C1CS(=O)(=O)C1 1105480005 YDEUFAZORJMDHK-UHFFFAOYSA-N 323.378 -0.713 30 20 DBED N#Cc1cccnc1NC[C@@H](O)CNC(=O)Cn1cccn1 1105722794 YPQDCEOSUMVRLY-LBPRGKRZSA-N 300.322 -0.261 30 20 DBED Cc1cc(=NC[C@H](O)CNC(=O)c2csnn2)c(C#N)c[nH]1 1106054208 LTKPGYXYGJZPDG-JTQLQIEISA-N 318.362 -0.262 30 20 DBED CS(=O)(=O)CCC(=O)NC/C=C/CNc1ccc(C#N)nn1 1107575604 DMPDQEPALVRFMO-NSCUHMNNSA-N 323.378 -0.133 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@]1(C)CN(CCN2CCCC2=O)CCO1 1107821041 IBUYVGJCVHWSBD-BBRMVZONSA-N 322.409 -0.024 30 20 DBED C#CCCN1CCO[C@@](C)(CNC(=O)c2c[nH]c(=O)cn2)C1 1108166317 ZEGAPKCRWDNTGB-HNNXBMFYSA-N 304.350 -0.386 30 20 DBED C[C@@H](CNc1ncc(C#N)cc1F)NC(=O)Cn1cnnn1 1108247509 QVXYDZGMNWAZAI-QMMMGPOBSA-N 304.289 -0.304 30 20 DBED C#CCCN1CCO[C@@](C)(CNC(=O)C2(C(=O)NC)CC2)C1 1108275450 DQYAKXSFNGNZOS-HNNXBMFYSA-N 307.394 -0.257 30 20 DBED CC(=O)N[C@@H](C(=O)NC[C@@]1(C)CN(CC#N)CCO1)C(C)C 1108353028 AYBCCVKVWXRKGL-HIFRSBDPSA-N 310.398 -0.122 30 20 DBED CC[C@@H](C)C(=O)NCC(=O)NC[C@@]1(C)CN(CC#N)CCO1 1108405215 WGDMWVZMRLYLMM-DOMZBBRYSA-N 310.398 -0.121 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)[C@H]2CCc3nncn3C2)C1 1108416839 XZVIWGUNLQRYKG-XJKSGUPXSA-N 317.393 -0.319 30 20 DBED COCC#CCN1CCO[C@](C)(CNC(=O)c2nonc2C)C1 1108439737 SGRAZLWKQHZAIC-OAHLLOKOSA-N 322.365 -0.151 30 20 DBED C#CCN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(C)C(=O)COC)C2 1108702149 VJYWXNPBXOBHEP-IHRRRGAJSA-N 307.394 -0.307 30 20 DBED COCC(=O)N(C)CC(=O)N[C@@H](C)CNc1cnc(C#N)cn1 1108745688 LKAMPFOOTVOKIS-JTQLQIEISA-N 320.353 -0.630 30 20 DBED C[C@H](CN(C)c1nccnc1C#N)NC(=O)C[C@H]1CCNC1=O 1109114780 OUHPZBXAWIURJF-GHMZBOCLSA-N 316.365 -0.185 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H]1CCOC1 1109175273 DCINDVYILZYBDO-KBXIAJHMSA-N 319.405 -0.116 30 20 DBED CN(CCCNc1ccc(C#N)cn1)C(=O)Cn1ncnn1 1109528066 FZTDBHLQFVLPCQ-UHFFFAOYSA-N 300.326 -0.100 30 20 DBED C=CCOCCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H](C)NC(N)=O 1110486820 UDHNXPCMBHKQPJ-LOWDOPEQSA-N 310.398 -0.033 30 20 DBED C[C@]1(CNC(=O)C(N)=O)CCCN(c2cnc(C#N)cn2)C1 1110953489 GZXHFIWWYOIFOC-CQSZACIVSA-N 302.338 -0.444 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)CNC(=O)NC)C[C@@H](C)O2 1111545434 GOIIASSLUKFUDH-CYBMUJFWSA-N 322.409 -0.370 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CCN(c2nccnc2C#N)C[C@@H]1C 1112400679 PQOLYUSXAMOZIN-WDEREUQCSA-N 316.365 -0.185 30 20 DBED COCCCC(=O)NC[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1O 1112704542 FHKZGNYHVGPFOE-DGCLKSJQSA-N 319.365 -0.312 30 20 DBED C#CCOCCC(=O)N1CCN(Cc2nc(N(C)C)no2)CC1 1112842763 AMSNVZZOQBEELR-UHFFFAOYSA-N 321.381 -0.180 30 20 DBED C[C@H](CNC(=O)[C@@]1(C)CNC(=O)C1)N(C)c1nccnc1C#N 1113783916 PZCPYFOEOCXKRA-MEBBXXQBSA-N 316.365 -0.185 30 20 DBED COCCOCCN1C[C@@H]2C(NC(=O)CSCC#N)[C@H]2C1 1113897355 TZNLWULMWSNHBB-RYUDHWBXSA-N 313.423 -0.047 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3cccc(O)n3)[C@H]2C1 1114101755 VNHILJXCXDDVCI-HBYGRHMLSA-N 314.345 -0.803 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)Cc3n[nH]c(C)n3)[C@H]2C1 1114244641 DNIXFAAXYVXGMH-JYAVWHMHSA-N 303.366 -0.648 30 20 DBED CNC(=O)CC(=O)N[C@H]1CN(c2ccnc(C#N)n2)CC1(C)C 1114443798 ISNLJSWVKYGGEQ-JTQLQIEISA-N 316.365 -0.185 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)c3c[nH]nc3C)[C@@H]2C1 1114647130 AMUUVANRHGWJSH-VXGBXAGGSA-N 301.350 -0.872 30 20 DBED C[C@@H](CN(C)C(=O)[C@H]1COCCN1C)N=c1cc[nH]c(C#N)n1 1115682232 JPCAVXUGYKTYRU-NWDGAFQWSA-N 318.381 -0.640 30 20 DBED CCOc1ncccc1CNC(=O)C(=O)N1CCO[C@H](C#N)C1 1117033268 OQLJZCRWNIGHDE-GFCCVEGCSA-N 318.333 -0.153 30 20 DBED CC(C)(C)c1nnc(NC(=O)C(=O)NCC(=O)NCC#N)s1 1117417592 YMICXGQRYYMTAZ-UHFFFAOYSA-N 324.366 -0.470 30 20 DBED C[C@H](O)CN(C(=O)C(=O)N1CCC[C@H](CC#N)C1)[C@H](C)CO 1118512239 AENOFOCAMFNNPW-FRRDWIJNSA-N 311.382 -0.271 30 20 DBED Cc1nn(CC(=O)NCC2(NCC#N)CCCCC2)c(=O)n1C 1120085441 PTUZREWEMBJOLE-UHFFFAOYSA-N 320.397 -0.178 30 20 DBED C[C@H](CN(C)C(=O)[C@@H]1CC(=O)N(C)C1)N=c1cc[nH]c(C#N)n1 1120863874 HAOWOCXFLVKHRG-GHMZBOCLSA-N 316.365 -0.493 30 20 DBED N#Cc1cnc(N[C@@H](CO)CNC(=O)Cc2cccnc2)cn1 1121446313 JXXDEHHDQFUNRE-CYBMUJFWSA-N 312.333 -0.125 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)C[C@H]2CCC(=O)N2)cn1 1121771859 YIXLVAWXGFPYOJ-ZWNOBZJWSA-N 317.349 -0.489 30 20 DBED CN1CC[C@@H](C(=O)N(C)C[C@H](O)CNc2cnc(C#N)cn2)C1 1124351889 JBYZLUAGCISCJY-DGCLKSJQSA-N 318.381 -0.469 30 20 DBED C#CCNC(=O)CC(=O)NCCNCc1nnc(C2CC2)o1 1125978811 YZUIRXYTOORXIN-UHFFFAOYSA-N 305.338 -0.708 30 20 DBED N#Cc1cc(C(=O)NCCNCC(=O)NC[C@@H]2CCCO2)c[nH]1 1125988239 QQKAEFRDALRYCL-ZDUSSCGKSA-N 319.365 -0.499 30 20 DBED C=C[C@](C)(O)CC(=O)NCCNC[C@H]1CCCS(=O)(=O)C1 1126366757 ZJPNBNINOCIOLP-OCCSQVGLSA-N 318.439 -0.156 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)c1cnnc(O)c1 1129992779 VHOSQWZNNWOZCX-UHFFFAOYSA-N 320.353 -0.736 30 20 DBED C#CCN[C@@H]1CN(C(=O)CN(C)CCC)C[C@@H]1n1ccnn1 1130107743 YZOMPVRRIZHFOY-KGLIPLIRSA-N 304.398 -0.405 30 20 DBED C#CCN1CC[C@]2(C1)CN(C(=O)COCCN(C)C)C[C@H](C)O2 1131692782 KQYZZPNSDLSMQA-RDJZCZTQSA-N 323.437 -0.110 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)[C@@H](C)C(F)(F)F 1132475327 XYYHABJTMODRHI-MRVPVSSYSA-N 324.303 -0.098 30 20 DBED Cc1ncc(C(=O)N[C@H](C)C[C@@H](C)NCC(=O)NCC#N)[nH]1 1133916045 BYFVDMIVIILILV-NXEZZACHSA-N 306.370 -0.156 30 20 DBED CCc1ncnc(CC)c1C(=O)NCCNCC(=O)NCC#N 1133985441 BTMQXTKHIHNWCQ-UHFFFAOYSA-N 318.381 -0.439 30 20 DBED C[C@H]1CCC[C@H](OCC(=O)NCCNCC(=O)NCC#N)C1 1134619670 YTOLVMCWLMKFDF-STQMWFEESA-N 310.398 -0.073 30 20 DBED C=CCN[C@@H](C)C[C@H](C)NC(=O)CNC(=O)Cn1cncn1 1146581847 CXKSZJBQBQMTOB-RYUDHWBXSA-N 308.386 -0.547 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CN(CCNC(=O)C2CC2)CCCO1 1149416844 WHUDRADSHIKODI-GXTWGEPZSA-N 322.409 -0.121 30 20 DBED C=CCCOCC(=O)NCCNC[C@H](O)CO[C@H](C)COC 1153086066 QJLUKFAGHVAJAM-KGLIPLIRSA-N 318.414 -0.303 30 20 DBED C#CCNC(=O)CC(=O)NCCC1=CCN([C@H](C)C(N)=O)CC1 1159891362 MIOAAUXYXYRVDY-GFCCVEGCSA-N 320.393 -0.862 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)C[C@H]1CCN(C)C1=O 1160592087 NRARCWPCZCVECX-QWHCGFSZSA-N 324.425 -0.359 30 20 DBED C#CCCN1CC=C(CCNC(=O)CN2CC(=O)NC2=O)CC1 1161485578 NXBNATIHWXMLMF-UHFFFAOYSA-N 318.377 -0.300 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)C(=O)NCC2CC2)C1=O 1169463151 BBYPZGWHQRYIJI-CYBMUJFWSA-N 322.409 -0.605 30 20 DBED C=CCNC(=O)CN1CCO[C@@H]2CCN(C(=O)C(F)F)C[C@H]21 1176870373 FMRLRNPPVHKFNX-GHMZBOCLSA-N 317.336 -0.145 30 20 DBED C#CCNC(=O)CN1CCO[C@H]2CCN(C(=O)CCC)C[C@@H]21 1176882178 MHYPIGPSVCELDC-KBPBESRZSA-N 307.394 -0.162 30 20 DBED C=CCOCC(=O)N1CC[C@H]2OCCN(CC(=O)NC)[C@H]2C1 1176950060 XQCOLMBMENSJOV-QWHCGFSZSA-N 311.382 -0.763 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)COCCOC)[C@H]1C 1178367172 ZEEIZYIAZCSQOL-STQMWFEESA-N 313.398 -0.469 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC[C@H](NCCS(C)(=O)=O)[C@@H]1C 1178587180 BIQPXXHFUOBXJY-OBJOEFQTSA-N 318.439 -0.063 30 20 DBED CC#CCN[C@H]1CCN(C(=O)CN(C)S(=O)(=O)CC)[C@H]1C 1179822537 ZFJKSVQDIXIGRQ-STQMWFEESA-N 315.439 -0.130 30 20 DBED N#CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 1185776273 ZMYVLZZJFWUHGG-LPWJVIDDSA-N 306.366 -0.616 30 20 DBED C#CCCN[C@@H]1CCN(C(=O)CCCN2C(=O)CNC2=O)C1 1187710914 CJSXMMROUITVBG-GFCCVEGCSA-N 306.366 -0.468 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@H](N(C)CCn2cncn2)C1 1190107104 ZYCWAYDDUXFMHF-KBPBESRZSA-N 305.382 -0.151 30 20 DBED Cn1ccc(C(=O)N2CC[C@H]3CN(CC(=O)NCC#N)C[C@H]32)n1 1190149455 ZOOBPIFPQSBQML-WCQYABFASA-N 316.365 -0.794 30 20 DBED Cn1cncc1CN1C[C@@H](O)[C@H](NC(=O)CSCC#N)C1 1191162636 YQQRPDMMLSVWST-VXGBXAGGSA-N 309.395 -0.662 30 20 DBED CC#CCN(C)[C@@H]1CCN(C(=O)[C@H](C)NS(C)(=O)=O)C1 1192550639 JWBRWHIEEJIMIQ-NWDGAFQWSA-N 301.412 -0.520 30 20 DBED CNC(=O)NC(=O)[C@H](C)N1CCCN(C(=O)[C@H](C)C#N)CC1 1195322352 YKTMDYBJHROCTA-MNOVXSKESA-N 309.370 -0.476 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)CCc2ccc(O)nc2)C1 1195623932 VTMCCUDMRWIEGQ-ZIAGYGMSSA-N 303.362 -0.096 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)Cn2nccc2C)C1 1196469035 PBXGOEUHMCRKRJ-ZIAGYGMSSA-N 308.382 -0.445 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)Cc2c(C)noc2C)C1 1198571064 OQXVAHOIAXNXQT-HUUCEWRRSA-N 321.377 -0.355 30 20 DBED Cn1cccc1C(=O)N1CCC(NCC(=O)NCC#N)CC1 1199320236 IQEYULDLRDYYKB-UHFFFAOYSA-N 303.366 -0.141 30 20 DBED COCC#CCNC[C@H]1CN(C(=O)c2ccnn2C)CCCO1 1200041816 YPKBWQQIEPUZSC-AWEZNQCLSA-N 320.393 -0.109 30 20 DBED C#CCNC[C@@H]1CN(C(=O)[C@H](C)S(C)(=O)=O)CCCO1 1200814585 KDNVQQKVNDOPNI-NWDGAFQWSA-N 302.396 -0.740 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)c2nnc(O)nc2O)CCCO1 1200893765 GMHVLVXHKDXICS-SNVBAGLBSA-N 321.337 -0.873 30 20 DBED CN1C(=O)CC[C@H]1CC(=O)N1CCCO[C@H](CNCC#N)C1 1201128486 IECZODXOOKSOLP-QWHCGFSZSA-N 308.382 -0.272 30 20 DBED C#CCNC(=O)CNC[C@H]1CN(C(=O)[C@H]2C[C@@H]2C)CCCO1 1201169131 RRHQOHQIEGREPH-IHRRRGAJSA-N 307.394 -0.401 30 20 DBED COCC#CCNC[C@H]1CN(C(=O)[C@@H]2[C@H]3COC[C@H]32)CCCO1 1201205876 SSZYUAPGZKXBBW-CAOSSQGBSA-N 322.405 -0.264 30 20 DBED C#CCNC[C@@H]1CN(C(=O)c2nc3ncccn3n2)CCCO1 1201696323 XRIHBILAGRHRQW-GFCCVEGCSA-N 314.349 -0.422 30 20 DBED N#CCNC(=O)CNCC1CCN(C(=O)C2=CCOCC2)CC1 1205050210 MMBHXWRNFAJVKR-UHFFFAOYSA-N 320.393 -0.199 30 20 DBED CC1(C)NC(=O)N(CC(=O)N2CCC(CNCC#N)CC2)C1=O 1206913071 UGPFEBXAISIZQT-UHFFFAOYSA-N 321.381 -0.331 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@H](NC[C@H]2CCOC2)C1 1207871753 ARVNYCXUBYPPNT-KGLIPLIRSA-N 307.394 -0.257 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)c2cnnn2C)C1 1207964820 HECJUQCTJBKRPL-NSHDSACASA-N 306.370 -0.689 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)Cc2nnc(C)o2)C1 1207972654 XOUDBLCDICTSIU-GFCCVEGCSA-N 321.381 -0.197 30 20 DBED C=CCCN[C@@H]1CCCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)C1 1209939494 FLXOMEYMVZFQAC-LLVKDONJSA-N 322.365 -0.436 30 20 DBED CCc1nnc(CN2C[C@@H](NC(=O)[C@H](C)C#N)[C@H](OC)C2)n1C 1212040002 ZUBYZVKXUUKFMC-IJLUTSLNSA-N 320.397 -0.147 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2cn(C)cn2)C[C@H]1C 1214441804 REBRTQHCQWPPAT-JHJVBQTASA-N 317.393 -0.392 30 20 DBED C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1NCC(=O)NCC#N 1214464106 NLKMUODZUAAAGX-ZWNOBZJWSA-N 314.349 -0.424 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)c2ccc(C#C)cn2)C[C@H]1C 1216452668 XVQBTUUDGHLHQT-CZUORRHYSA-N 324.384 -0.138 30 20 DBED C=C(Cl)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)CNC(C)=O 1217211976 CDPPMCLFTYLDTK-NWDGAFQWSA-N 301.774 -0.213 30 20 DBED COCCOCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H](C)C#N 1217533601 YAJGRNWRITTZHR-MELADBBJSA-N 311.382 -0.279 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)c2cc[nH]c2)C1 1219670726 YWUWEMXESIGWRX-RTXFEEFZSA-N 306.366 -0.520 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(CC(=O)NC(C)C)C[C@@H]1O 1221143531 IESLQJBIQSPUTL-UPJWGTAASA-N 313.398 -0.737 30 20 DBED C#CCOCCC(=O)N1C[C@H]2CCN(CC(=O)N(C)C)C[C@H]21 1221544916 NGDSOFXQPPRJSJ-ZIAGYGMSSA-N 307.394 -0.353 30 20 DBED C=CCNC(=O)CN1CCC(CNC(=O)c2cn(C)nn2)CC1 1223051729 OHYHRHKTNJFYOV-UHFFFAOYSA-N 320.397 -0.441 30 20 DBED CC#CCN1CCC(CNC(=O)CS(=O)(=O)N(C)C)CC1 1225305170 UWDWXIZCGHJDKY-UHFFFAOYSA-N 315.439 -0.271 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCCC[C@H]1NC(=O)CC(=O)NC 1225860652 JHWJVXCFUDSGGS-JHJVBQTASA-N 322.409 -0.723 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)c2cc(C)no2)CC1 1226017986 UIDLWKYYQLXQMN-UHFFFAOYSA-N 304.350 -0.073 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)[C@H](C(C)C)N(C)C)CC1 1227900173 PQZNIEJVHWHLJK-INIZCTEOSA-N 322.453 -0.097 30 20 DBED CS(=O)(=O)CC(=O)NCCCN(CC#N)Cc1cccnc1 1230699619 FCEVMZLYURWGOE-UHFFFAOYSA-N 324.406 -0.042 30 20 DBED Cc1[nH]nc(C(=O)N(C)C[C@H]2CCN2CC(=O)NCC#N)c1O 1233633412 AMJXINUERPBKQE-SNVBAGLBSA-N 320.353 -0.790 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N[C@@H]2CCCNCC2)nn1 1261435572 YTFPLDHQEYWLED-LLVKDONJSA-N 306.370 -0.661 30 20 DBED C=CCn1cc(CNC(=O)C(=O)NCc2c[nH]nc2C)nn1 1261445497 BIPPDFYRUPCUJX-UHFFFAOYSA-N 303.326 -0.572 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1261927903 VFXXUVOKBNENEN-WCQYABFASA-N 306.366 -0.498 30 20 DBED N#CCNC(=O)CN1CCC[C@H](NC(=O)c2cncs2)C1 1266204617 FEMWIDISRFKKCE-JTQLQIEISA-N 307.379 -0.023 30 20 DBED C#CCNC(=S)N[C@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 1319956003 URPZGWRTHWZNJV-JQWIXIFHSA-N 302.421 -0.180 30 20 DBED C=CCNC(=O)CNS(=O)(=O)c1cnc2c(cnn2C)c1 1320729732 LBXNECGAZPJAJR-UHFFFAOYSA-N 309.351 -0.451 30 20 DBED CS(=O)(=O)CCCC(=O)OCC(=O)NC1(C#N)CCC1 1322646971 ZQRVSYNBFXPCNS-UHFFFAOYSA-N 302.352 -0.083 30 20 DBED N#CCSCC(=O)NS(=O)(=O)c1cnc2n1CCC2 1322755390 KTNHDTPOXYDAQS-UHFFFAOYSA-N 300.365 -0.109 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCOC[C@@H]1CC 1323764335 BFRLYVSVCUVTFW-NSHDSACASA-N 318.395 -0.659 30 20 DBED COC[C@H](NC(=O)C(=O)N1CCO[C@@H](C#N)C1)[C@@H]1CCCO1 1323878876 VCTYJIGGZXWCFL-SRVKXCTJSA-N 311.338 -0.952 30 20 DBED C[C@@H]1CN(C(=O)C(=O)NC2CCN(CC#N)CC2)CCCO1 1324435788 ZXJYOSKTXBIJMV-GFCCVEGCSA-N 308.382 -0.272 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N(C)[C@H]1CCSC1 1325695415 DOCXERRUHGABJT-JTQLQIEISA-N 320.436 -0.333 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@H](C)COCCOC)[C@H]1CCCO1 1326965765 NXVLXUJQBRFNLH-FRRDWIJNSA-N 312.366 -0.549 30 20 DBED C#CCOCCNC(=O)C(=O)N1CC[C@@H](Cc2cnn(C)c2)C1 1329099480 PSPNCTWZXBISJE-ZDUSSCGKSA-N 318.377 -0.423 30 20 DBED COCC#CC(=O)NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 1329128513 ITLQXSOYXUUSHC-AUZPSNTRSA-N 302.330 -0.441 30 20 DBED CC[C@@H]1C(=O)N(CC)CCN1C(=O)C(=O)N1CC[C@](F)(C#N)C1 1331199242 YYLIICGCWULKNF-ABAIWWIYSA-N 324.356 -0.080 30 20 DBED N#CCN(C(=O)CN1CCS(=O)(=O)CC1)c1ccccn1 1331413057 LUJXXETXMZHFEV-UHFFFAOYSA-N 308.363 -0.331 30 20 DBED C[C@H](NC(=O)C(=O)N1CCC[C@H](C#N)C1)[C@H](C)N1CCOCC1 1332670708 YGFWAQMVIVJUGN-MELADBBJSA-N 322.409 -0.026 30 20 DBED C=CCC1(O)CCN(C(=O)C(=O)NCCC(=O)N(C)C)CC1 1333764714 QUJFQHFEEWOGEJ-UHFFFAOYSA-N 311.382 -0.490 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)Cc1nnc2n1CCNC2=O 1348188135 MBFUJNCPEMBRMY-NSHDSACASA-N 316.365 -0.923 30 20 DBED Cn1ccc(CCC(=O)NCCn2cc(C#N)c(O)nc2=O)n1 1363485261 XKMPLVQZYGSJRC-UHFFFAOYSA-N 316.321 -0.697 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)NCc1nnc2n1CCOC2 1363878091 UJGDQQDSKAVYBV-SECBINFHSA-N 314.371 -0.623 30 20 DBED Cc1nc([C@H]2CCCN(c3[nH]c(=O)n(C)c(=O)c3C#N)C2)n[nH]1 1364169452 HZNZAYRVMSTPEW-VIFPVBQESA-N 315.337 -0.244 30 20 DBED CC(C)S(=O)(=O)CC(=O)N[C@H]1CCN(C(=O)[C@@H](C)C#N)C1 1372520296 DSXUMHIXSUPBQL-QWRGUYRKSA-N 315.395 -0.314 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCNC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1387044000 QSNLXOFXKJBUSY-ZDEQEGDKSA-N 309.366 -0.228 30 20 DBED CCN(CCNC(=O)c1cn(CCOC)nn1)C(=O)[C@@H](C)C#N 1398087468 OOODZSXCPQXQLZ-NSHDSACASA-N 322.369 -0.338 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCN(C)C(=O)[C@H]1CCN(C)C(=O)C1 1399724941 GOQZVAYMPFBBCL-RYUDHWBXSA-N 308.382 -0.069 30 20 DBED CC[C@](C)(CC(=O)OC)NC(=O)Cn1cc(C#N)c(O)nc1=O 1411864477 UGWWUGICFIPJGH-CQSZACIVSA-N 322.321 -0.331 30 20 DBED Cc1nnc(N(C)C(=O)Cn2cc(C#N)c(O)nc2=O)s1 1412202417 NNHRCPHNTLTVCQ-UHFFFAOYSA-N 306.307 -0.357 30 20 DBED Cc1onc(CC(=O)NCCN2CCC3(C2)OCCO3)c1C#N 1413301812 SMPBSOSNSRJZEC-UHFFFAOYSA-N 320.349 -0.038 30 20 DBED N#Cc1cn(CC(=O)NC[C@@H](CO)CC2CC2)c(=O)nc1O 1453445505 VWVPTVRONUOWFU-JTQLQIEISA-N 306.322 -0.655 30 20 DBED C[C@H](CNC(=O)Cn1cnnn1)NCc1ccc(C#N)s1 1480421730 NOSDDZPWWQZSNR-SECBINFHSA-N 305.367 -0.099 30 20 DBED C#CCNC(=O)[C@H](C)N1CC(CNC(=O)[C@H](C(C)C)N(C)C)C1 1481656235 ODAZAJHQOJDTQZ-ZFWWWQNUSA-N 322.453 -0.242 30 20 DBED CCCCS(=O)(=O)NCC(=O)N[C@@H]1CCN(CC#N)C1 1490573502 OAFBNFGLMZTDNR-LLVKDONJSA-N 302.400 -0.580 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)c2ccc3nnnn3c2)CC1 1506139556 AWFNWSSUTQGCLC-VIFPVBQESA-N 313.321 -0.337 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C[C@H](C)N=c1cc[nH]c(C(=O)O)n1 1573311335 MPTHMKUXZBFCCF-QWRGUYRKSA-N 320.349 -0.106 30 20 DBED C=CC(C)(C)CC(=O)NC1CN(CC(=O)NCc2cnn[nH]2)C1 1575065365 HGUSMHRTHIZPMX-UHFFFAOYSA-N 320.397 -0.176 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@H](NC(=O)CCCc2cnn[nH]2)C1 1575086159 SMZXOESURYARTJ-CHWSQXEVSA-N 321.381 -0.219 30 20 DBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C[C@@H](O)CN 1576815284 KXHZVADISXRUHE-WDEREUQCSA-N 304.354 -0.905 30 20 DBED Cc1cc(NC(=O)N[C@H]2CC(=O)N(C3CNC3)C2)ncc1C#N 1579631225 JMJZOFXGIVFXHQ-NSHDSACASA-N 314.349 -0.044 30 20 DBED N#Cc1ccc(S(=O)(=O)CCNC2(CO)CCNCC2)nc1 1580071527 NFLMAQORRJNKPP-UHFFFAOYSA-N 324.406 -0.569 30 20 DBED C=CCN1CC[C@@H](N2C(=O)N[C@@](C)(CCC(=O)O)C2=O)C1=O 1588838432 DVSFAVAVASWTBI-OTYXRUKQSA-N 309.322 -0.051 30 20 DBED CC#CCN(C)C(=O)C(=O)N1CC[C@]2(CC(C(=O)O)=NO2)C1 1588931070 KIUWDSIFECTXAW-AWEZNQCLSA-N 307.306 -0.700 30 20 DBED CCNC(=O)CSc1nc(N)c(-c2nn[nH]n2)cc1C#N 1590742537 SQCXNKUHDGQMJL-UHFFFAOYSA-N 304.339 -0.056 30 20 DBED COC[C@@H](C#N)OC(=O)[C@H](O)c1ccc(-c2nn[nH]n2)cc1 1591367825 RYSVHMZBSREFOS-GHMZBOCLSA-N 303.278 -0.018 30 20 DBED C[C@]1(C#N)CCN(C(=O)C(=O)N2CCO[C@@H](CC(=O)O)C2)C1 1593742776 FBKYPSPZIDFRJZ-IINYFYTJSA-N 309.322 -0.549 30 20 DBED CCO[C@H]1C[C@@](NC(=O)Cn2cnc(C#N)n2)(C(=O)O)C1(C)C 1596817144 BADRBOHGPJJDDR-LKFCYVNXSA-N 321.337 -0.076 30 20 DBED CN(C[C@@H](O)CN1CCOCC1)c1ccc(C(=O)O)nc1C#N 1598437353 XCYCIVHMJLLWOH-LLVKDONJSA-N 320.349 -0.219 30 20 DBED C=CCOC[C@H](NC(=O)CS(=O)(=O)NC(C)(C)C)C(=O)O 1602908840 GVGJZBFCUUIYEC-VIFPVBQESA-N 322.383 -0.524 30 20 DBED C=CCOC[C@H](NS(=O)(=O)CCN1CCOC1=O)C(=O)O 1602915587 XOUVOVXKQXJMBG-VIFPVBQESA-N 322.339 -0.986 30 20 DBED CN(C)C(=O)NCCNc1cnc(C#N)c(-c2nn[nH]n2)n1 1604671608 ZFGOMPUGCBISIE-UHFFFAOYSA-N 302.302 -0.789 30 20 DBED N#Cc1ncc(N2CC[C@@H](Cn3ccnn3)C2)nc1-c1nn[nH]n1 1606397717 XIQHUDIVNFCHPO-SECBINFHSA-N 323.324 -0.354 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)c2csnc2C(=O)O)CCO1 1608179043 FENRIODLDGOPOO-ZCFIWIBFSA-N 303.321 -0.246 30 20 DBED N#Cc1ccc([C@H](C(=O)O)N2CCN3C(=O)NC(=O)[C@@H]3C2)cc1 1608199921 RREWOGQRGTZRMT-NWDGAFQWSA-N 314.301 -0.080 30 20 DBED N#C[C@@H]1COCCN1C(=O)c1cc(O)cc(-c2nn[nH]n2)c1 1609494570 HKFHZFODWORENY-SNVBAGLBSA-N 300.278 -0.063 30 20 DBED N#Cc1cc(CNC(=O)Cn2ncn3nccc3c2=O)ccn1 1634631942 UZTBJRFICJYWFJ-UHFFFAOYSA-N 309.289 -0.526 30 20 DBED Cc1oc2ncn(C)c(=O)c2c1C(=O)N[C@@H]1CNC[C@H]1C#N 1645868420 AXFXJFNXHPJSKO-RKDXNWHRSA-N 301.306 -0.324 30 20 DBED C#CCN1CCN(CCNC(=O)c2cnc3[nH]ncc3c2)CC1 1752367625 RHMQEDDKMNUBBS-UHFFFAOYSA-N 312.377 -0.062 30 20 DBED COCC#CCN[C@H]1C[C@@H](NC(=O)c2ccc(C(N)=O)nc2)C1 1752776387 QUHPGEKWHRLHMV-BETUJISGSA-N 316.361 -0.319 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)CCN[C@H]1CCN(C)C1=O 1753199787 UVQNQQLWVXAADH-KBPBESRZSA-N 306.410 -0.637 30 20 DBED C#CCO[C@H](C)C(=O)NC1CN([C@@H]2CCN(C3CCC3)C2=O)C1 1753377602 FIBHZBLBUQNUGZ-IUODEOHRSA-N 319.405 -0.022 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)CN2CCOCC2)C[C@@H]1C 1753753083 MAZIBKGDOACUAO-JKSUJKDBSA-N 323.437 -0.205 30 20 DBED CCn1nccc1C(=O)N[C@@H](C)CCNCC(=O)NCC#N 1753959643 SLBFZJQUDCGOCB-NSHDSACASA-N 306.370 -0.359 30 20 DBED COc1cc(C(=O)N[C@@H](C)CN(C)CC(=O)NCC#N)ncn1 1754310812 UFRNOYOEAYNLDV-JTQLQIEISA-N 320.353 -0.825 30 20 DBED C=C(C)CNC[C@H](NC(=O)CN1C(=O)CN(C)C1=O)C1CC1 1754459594 ALDYYNBHMODXNR-LBPRGKRZSA-N 308.382 -0.059 30 20 DBED C#CCNC(=O)CNC1(CNC(=O)CCn2cc(C)cn2)CC1 1754535238 DRUSSPJUOKTGIE-UHFFFAOYSA-N 317.393 -0.431 30 20 DBED C=CCCN[C@]1(CO)CCCN(C(=O)C2CC(=O)NC(=O)C2)C1 1755091090 UKHWNVZPIYDQOJ-MRXNPFEDSA-N 323.393 -0.442 30 20 DBED C#CCNC(=O)CNC1(C)CCN(C(=O)C2=COCCO2)CC1 1755126229 YDKAEVLIFDUYSY-UHFFFAOYSA-N 321.377 -0.405 30 20 DBED C=CCNC(=O)CN(C)[C@H](C)CNC(=O)Cc1nnc(C)o1 1755300059 YQFRKDXWIBBRPW-SNVBAGLBSA-N 309.370 -0.341 30 20 DBED C#CCCN1CC(CCO)(NC(=O)[C@@H](C)N2C(=O)CCC2=O)C1 1755333311 FXSGQKCLNAXVIW-GFCCVEGCSA-N 321.377 -0.900 30 20 DBED CC(C)S(=O)(=O)CC(=O)N1CCO[C@H]([C@H](C)NCC#N)C1 1755448284 QNGQVCYNDGQWRC-RYUDHWBXSA-N 317.411 -0.461 30 20 DBED C=CCNC(=O)CNC[C@H](O)CN(C)C(=O)c1cncc(F)c1 1755776156 AWZGUDZVLIZDDE-ZDUSSCGKSA-N 324.356 -0.455 30 20 DBED C[C@H](NC(=O)C#CC1CC1)C1CN(C(=O)CS(C)(=O)=O)C1 1756151217 YLRHZEMCRSZJDF-JTQLQIEISA-N 312.391 -0.593 30 20 DBED CCCN(C)CCC(=O)NC[C@H](CO)NC(=O)C#CC(C)C 1756537987 IESZUTIMRDMYMI-CQSZACIVSA-N 311.426 -0.029 30 20 DBED C[C@@H]1C[C@H](NC(=O)C#CC2CC2)CN1C(=O)c1cn(C)nn1 1756588155 OCPVULCKXSVBIQ-PWSUYJOCSA-N 301.350 -0.052 30 20 DBED C=CCOCC(=O)NC[C@@H](O)CN(C)C(=O)[C@H]1CCCO1 1756649198 HUAMCAJFRRNSQN-VXGBXAGGSA-N 300.355 -0.697 30 20 DBED CCOCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)S)C2 1795213075 BYTQQMNQBRWUHS-HNCHTBHHSA-N 316.423 -0.069 30 20 DBED C[C@@H](S)C(=O)N1CC2(CCCN2C(=O)c2ncnn2C)C1 1842343167 AKYVUQXTLABMSK-SECBINFHSA-N 309.395 -0.050 30 20 DBED C#CC(=O)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843250682 CXKCEPYBCHZPED-UHFFFAOYSA-N 301.302 -0.057 30 20 DBED C#CCOCCC(=O)N1CCN(c2ncccc2C(N)=O)CC1 124696804 LFLDFQBWROWBDG-UHFFFAOYSA-N 316.361 -0.131 30 20 DBED Cn1c(NCCn2cnnc2C2CC2)c(C#N)c(=O)n(C)c1=O 129079443 PDDCCCRTQLSBFW-UHFFFAOYSA-N 315.337 -0.463 30 20 DBED CCN(C[C@@H](C)C#N)C(=O)CN1CCO[C@@H](CNC(C)=O)C1 246735748 QAWMZMFZMFSTEB-JSGCOSHPSA-N 310.398 -0.169 30 20 DBED C/N=C(/NCCN1CCCS1(=O)=O)N1CC[C@@H](COC)C1 262496256 WNFWBVASHZXSCM-GFCCVEGCSA-N 318.443 -0.434 30 20 DBED Cn1ccc(C/N=C(/N)N2CCN(c3ncccn3)CC2)n1 262917296 GKPGPRKKBYMGED-UHFFFAOYSA-N 300.370 -0.153 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H](CC)CCO)C1=O 268637690 NGGDVPXKHWLJEC-JTQLQIEISA-N 311.338 -0.512 30 20 DBED C=CCNC(=O)CNC(=O)NCC1(C(=O)OC)CCOCC1 272772276 MODJZAKHLYORSM-UHFFFAOYSA-N 313.354 -0.442 30 20 DBED C=C[C@@H](CO)NC(=O)CNS(=O)(=O)c1ccccc1F 290502711 GEUSZTWIVIUBHU-VIFPVBQESA-N 302.327 -0.233 30 20 DBED C=CCCCS(=O)(=O)NCCN1C[C@H](C(=O)O)CC1=O 291808486 CJVLVTSEALHVFC-SNVBAGLBSA-N 304.368 -0.195 30 20 DBED C#CCO[C@@H](C)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 294554998 RIHBZHQDMYCDKP-NSHDSACASA-N 302.334 -0.005 30 20 DBED C/N=C(/O)CN1CCN(C(=O)[C@@H](c2cncn2C)N(C)C)CC1 328804895 HNABBFDQDSGPSZ-CQSZACIVSA-N 322.413 -0.247 30 20 DBED CCCNC(=O)[C@H]1CCCN(C(=O)Cn2cnc(C#N)n2)C1 331176513 XHSQQQAADBLKLM-NSHDSACASA-N 304.354 -0.085 30 20 DBED N#Cc1ccc(S(=O)(=O)CCN2CCC(C(N)=O)CC2)nc1 343996054 XBBHYYBLDRKMMW-UHFFFAOYSA-N 322.390 -0.076 30 20 DBED C=CCNC(=O)NC(=O)CN(C)Cc1nc(CCOC)no1 344154189 GTWDYZPOSFTYNW-UHFFFAOYSA-N 311.342 -0.298 30 20 DBED CC(=O)N[C@H]1CCCN(C(=O)Cn2nc(C)c(C#N)c2N)C1 356014092 PYICSAZMMRCASR-NSHDSACASA-N 304.354 -0.228 30 20 DBED C=C(C)CN(C)C(=O)C(=O)N[C@H]1CCOC[C@@H]1OCCOC 360198645 IEBXBHKMGZGLJA-STQMWFEESA-N 314.382 -0.042 30 20 DBED CNS(=O)(=O)[C@@H]1CCCN(CC(=O)NC2(C#N)CCC2)C1 363908703 ICZZJHMPKSAGPH-LLVKDONJSA-N 314.411 -0.438 30 20 DBED Cn1c(N[C@H]2CC(=O)N3CCCC[C@H]23)c(C#N)c(=O)n(C)c1=O 374586537 SEPLOMOICCIRPK-WDEREUQCSA-N 317.349 -0.479 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N(C)CC1(O)CCOCC1 407972687 GVUTXOFESSZIJI-LLVKDONJSA-N 305.400 -0.062 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N1CCO[C@@H](COC)C1 410908571 IKOMGZYRIMLIKT-GFCCVEGCSA-N 300.355 -0.479 30 20 DBED Cc1cc(N2CCN(C(=O)Cn3cnnn3)CC2)c(C#N)cn1 425210687 VELKXIMLPLDWPB-UHFFFAOYSA-N 312.337 -0.403 30 20 DBED C#CCN1CCN(C(=O)CN2CCC[C@H](C(=O)NC)C2)CC1 490853574 TUKYBNPVQZODTJ-AWEZNQCLSA-N 306.410 -0.778 30 20 DBED C#CCN(CC#CC)C(=O)CNS(=O)(=O)CCCOC 490866757 TWIYXTAPIPVMDO-UHFFFAOYSA-N 300.380 -0.573 30 20 DBED C#CCN1CCN(C(=O)CN2CCC(O)(COC)CC2)CC1 490873940 LHYLZZXOJQGGDH-UHFFFAOYSA-N 309.410 -0.763 30 20 DBED C#CCN(C)CCCNC(=O)c1ccnc(S(N)(=O)=O)c1 491567387 KVRGGFOYROORIF-UHFFFAOYSA-N 310.379 -0.586 30 20 DBED C#CCNC(=O)CN1CCN(Cc2nc(C(C)(C)C)n[nH]2)CC1 491743511 WFMQEZAUAGWAAM-UHFFFAOYSA-N 318.425 -0.031 30 20 DBED C=C[C@@H]1OCCC[C@H]1NC(=O)C(=O)Nc1cncc(OC)n1 565085163 GHVYPXWDEUMZLD-ZJUUUORDSA-N 306.322 0.274 30 20 DBED CCCCN(CCO)C(=O)C(=O)NC1CCN(CC#N)CC1 588127550 LEBKKGNMLBIKLP-UHFFFAOYSA-N 310.398 -0.288 30 20 DBED COC(=O)C[C@H]1C(=O)NCCN1C(=O)c1cccc(C#N)n1 589832522 PPHXPQKHWXNKOR-NSHDSACASA-N 302.290 -0.543 30 20 DBED COC(=O)CNC(=O)CNC(=O)CNc1ccc(C#N)cc1 590340443 GIDZEUJJABJSOL-UHFFFAOYSA-N 304.306 -0.624 30 20 DBED CN(CCC#N)C[C@@H](O)CNCC(C)(C)NS(C)(=O)=O 591735592 QHUZEQTUVXHFJV-NSHDSACASA-N 306.432 -0.890 30 20 DBED CC#CC[C@H](CO)NS(=O)(=O)N1CCC(C(=O)OC)CC1 592113392 RERAFOIYNJSSRC-GFCCVEGCSA-N 318.395 -0.520 30 20 DBED N#Cc1cn(CC(=O)N2CCNC(=O)C2)c(=O)c2ccccc12 603363255 YOPFGUJDJFQHLK-UHFFFAOYSA-N 310.313 -0.168 30 20 DBED CCNC(=O)CN(C)S(=O)(=O)N(CCC#N)CCOC 619707747 ZPIFWVGFBMLTQW-UHFFFAOYSA-N 306.388 -0.839 30 20 DBED C=CCn1cc(C(=O)NCCC(=O)N2CCN(C)CC2)nn1 648781755 XJPZYUMARGUISG-UHFFFAOYSA-N 306.370 -0.642 30 20 DBED C#CCCN1CCN(C(=O)c2ccc(S(N)(=O)=O)o2)CC1 749658707 VDBCVXVHBPQNQT-UHFFFAOYSA-N 311.363 -0.292 30 20 DBED N#Cc1cccnc1NCCNC(=O)N1CCS(=O)(=O)CC1 788599277 RSFYKZUYWAXWSB-UHFFFAOYSA-N 323.378 -0.195 30 20 DBED C[C@@H](NS(=O)(=O)N1CCO[C@@H](C#N)C1)C(=O)OC(C)(C)C 800080841 PJNQEPDWESULBA-ZJUUUORDSA-N 319.383 -0.225 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)C(=O)N1CCC[C@@H](C)C1 805562022 MEZJHRUOAXEDFF-SNVBAGLBSA-N 311.338 -0.200 30 20 DBED C#CCOc1cccc(NC(=O)C(=O)NC2(C(N)=O)CC2)c1 807050947 SQKOTMBIVSULSS-UHFFFAOYSA-N 301.302 -0.229 30 20 DBED C[C@@H]1CCC(=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C1 814883339 JTKADVZPRDGEAW-MRVPVSSYSA-N 314.367 -0.462 30 20 DBED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](CO)CC#C)c1 816674626 GPMVGVCCXAOCPS-ZDUSSCGKSA-N 320.370 -0.288 30 20 DBED CCN1C(=O)[C@@H]2CN(C(=O)[C@@](C)(C#N)CC(=O)O)CCN2C1=O 820348236 MSCARGJMEQNAPX-LKFCYVNXSA-N 322.321 -0.514 30 20 DBED COC(=O)CN(CC#N)C(=O)Cc1cccc(-c2nn[nH]n2)c1 821662866 WWYNOQVHHILPJB-UHFFFAOYSA-N 314.305 -0.066 30 20 DBED CC(=NNC(=S)NCCN1CCOCC1)c1ccncn1 834920873 UIWVBLSUZQRJDD-UHFFFAOYSA-N 308.411 -0.003 30 20 DBED C=CCONC(=O)c1cc(C)c2c(=O)n(C)c(=O)n(C)c2n1 837047402 DWDCRNFMSLIXAY-UHFFFAOYSA-N 304.306 -0.212 30 20 DBED C#CCNC(=O)[C@@H](C)OC(=O)CCCN1C(=O)CN(C)C1=O 857575049 HLHVRJMVOMPSHY-SNVBAGLBSA-N 309.322 -0.658 30 20 DBED C#CC1(O)CN(C(=O)N[C@@H]2CCC[C@H](S(C)(=O)=O)C2)C1 893150587 NIAMLRXMZUPRSU-MNOVXSKESA-N 300.380 -0.268 30 20 DBED CCn1cncc1/C=C\C(=O)c1c(O)n(C)c(=O)n(C)c1=O 901510342 BUBVLPFWMYWXLY-WAYWQWQTSA-N 304.306 -0.098 30 20 DBED C=CCN(CC(=O)OCC)C(=O)CCN1CCCS1(=O)=O 921296825 QRZBILWCGGZOQF-UHFFFAOYSA-N 318.395 -0.010 30 20 DBED C#CCN(C)CCCNC(=O)N1CC[C@@H](CS(N)(=O)=O)C1 922630065 OARPYOOOTUJBNI-GFCCVEGCSA-N 316.427 -0.739 30 20 DBED CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N1CCC[C@H](C#N)C1 923245449 GJGZRLBYZDISJM-OUAUKWLOSA-N 301.368 -0.256 30 20 DBED C#CCN1CCC[C@H](NC(=O)CS(=O)(=O)CCOC)C1 923581646 KOLUGONAXVEAEY-LBPRGKRZSA-N 302.396 -0.739 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H](NC(=O)[C@H]3CCCO3)C2)nn1 937650614 UEFZEMRYFIWXIK-WCQYABFASA-N 319.365 -0.026 30 20 DBED COCCn1cc(C(=O)N[C@H]2CCN(C(=O)[C@H](C)C#N)C2)nn1 937947118 ZSCXYTIFYYOABN-MNOVXSKESA-N 320.353 -0.585 30 20 DBED C[C@H](C#N)C(=O)N1CCCN(C(=O)[C@@]2(C)CCNC2=O)CC1 942152997 MEOLQPGZYOHXTC-ABAIWWIYSA-N 306.366 -0.267 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)C2CCOCC2)C1 944444043 NVAWAGGTXFCHSL-AAEUAGOBSA-N 309.366 -0.084 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCN([C@@H]2CCN(C)C2=O)CC1 950597709 VNSATGBJLZKNIM-MCIONIFRSA-N 307.394 -0.048 30 20 DBED C[C@@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)Cn1ncnn1)CC2 952592373 WRDMIERXBLTLJH-SRVKXCTJSA-N 317.353 -0.575 30 20 DBED N#CCN1C[C@H](O)[C@H](CNC(=O)c2cc3n(n2)CCCC3)C1 958161768 MGFGTXUEMQBSBQ-RISCZKNCSA-N 303.366 -0.235 30 20 DBED COc1cncc(C(=O)NC[C@H]2CN(CC#N)C[C@@H]2O)c1C 958180062 XXCKFFPGMSHSMH-AAEUAGOBSA-N 304.350 -0.055 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](CNC(=O)c2ccc(=O)n(C)c2)C1 958202636 JFAUCTFABCQOBX-ZIAGYGMSSA-N 305.378 -0.016 30 20 DBED CC#CCN1C[C@@H](O)[C@H](CNC(=O)c2c(OC)ccnc2O)C1 958596017 XWNSHWFTFUMDAS-VXGBXAGGSA-N 319.361 -0.158 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(C[C@H](NC(=O)Cc3ccon3)CO2)C1 965668317 ULNSVUPDQRVMJE-JQWIXIFHSA-N 318.333 -0.137 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2CN(C(=O)CC(N)=O)C[C@@H]2C)cn1 966255963 BUAWVNLVZKKLAO-GWCFXTLKSA-N 314.345 -0.485 30 20 DBED C=C(Cl)CN[C@@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 970742410 YNSLPNVMOYOKKD-NXEZZACHSA-N 307.803 -0.379 30 20 DBED C#CCCN1CCO[C@@]2(CCN(C(=O)[C@@H]3CN(C)CCO3)C2)C1 972316331 LOTJQUJQLKEWEL-RDJZCZTQSA-N 321.421 -0.356 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)c3cn(C)ccc3=O)C2)C1 972458274 JABLDMIMSRGBQS-QGZVFWFLSA-N 315.373 -0.065 30 20 DBED C#CCN1C[C@H](NC(=O)[C@@H]2CC(=O)N(CCOC)C2)C(C)(C)C1 974646789 WVZHLXDNWHJDTN-KGLIPLIRSA-N 321.421 -0.059 30 20 DBED N#Cc1cc(C(=O)N[C@H]2[C@@H]3CN(C(=O)c4cnn[nH]4)C[C@@H]32)c[nH]1 976408397 MXQFEKPZGOEFTL-IAZYJMLFSA-N 311.305 -0.495 30 20 DBED C#CCN1C[C@@H]2C(CNC(=O)[C@H]3CCc4nnn(C)c4C3)[C@H]2C1 978663308 YFJRZOSKSRCQSY-IACUBPJLSA-N 313.405 -0.153 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H](CN[C@H]2CCNC2=O)C1 983903851 GXHNCZBZVJRSSW-AJNGGQMLSA-N 318.421 -0.543 30 20 DBED CC[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)CC(N)=O 984741736 XRSYFGKSVUNWDE-CMPLNLGQSA-N 317.349 -0.129 30 20 DBED N#CCN[C@@H]1CCC[C@@H]2CN(C(=O)C3CS(=O)(=O)C3)C[C@H]21 992716790 WDGXZOGKEGWFED-RAIGVLPGSA-N 311.407 -0.229 30 20 DBED C[C@H](C(=O)NC1CN(C(=O)C#CC2CC2)C1)N1C(=O)CCC1=O 993800154 RYIKMMWFSWHPLU-SNVBAGLBSA-N 317.345 -0.736 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)[C@@H]2CCc3nccn3C2)C1 994592640 KKSLQSJHXIVRAZ-WDEREUQCSA-N 301.350 -0.068 30 20 DBED C=CCn1cc(C(=O)N2CC(NC(=O)[C@@H]3C[C@H](C)CO3)C2)nn1 997524782 OKFURPCHGHJBFS-GWCFXTLKSA-N 319.365 -0.170 30 20 DBED N#CCN[C@@H]1CCCN(C(=O)CCc2nnc(O)nc2O)C1 999590146 XGRUCBYXXRYPGU-SECBINFHSA-N 306.326 -0.680 30 20 DBED N#CCN1CC[C@H](n2cc(CNC(=O)c3cnco3)nn2)C1 1000019764 WZJMYAOYUGFRMT-NSHDSACASA-N 301.310 -0.034 30 20 DBED C#CCN[C@@H]1CCCN(C(=O)c2cc(=O)n3[nH]cnc3n2)C1 1000694392 LGYUGXFQTPNZCO-SNVBAGLBSA-N 300.322 -0.755 30 20 DBED CCN1CCO[C@H](C(=O)NCC2CN(C(=O)[C@@H](C)C#N)C2)C1 1002285026 ALKYKZPBZCYVRZ-AAEUAGOBSA-N 308.382 -0.559 30 20 DBED O=C(NCC1CN(C(=O)C#CC2CC2)C1)c1cnc2[nH]nnc2c1 1002619391 AFIFRNGOYGPBAA-UHFFFAOYSA-N 324.344 -0.046 30 20 DBED N#Cc1c[nH]c(C(=O)N2C[C@H]3CC[C@H]2CN3C(=O)CC(N)=O)c1 1007199869 GRRFJWXDQVPGJX-MNOVXSKESA-N 315.333 -0.423 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2CCN(C(=O)C(N)=O)[C@@H]2C)c1 1012022296 DGRSJMAYQDTFHQ-BXKDBHETSA-N 300.318 -0.733 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)Cn2ncn3nccc3c2=O)C1 1015790163 YJTXSAQYNJKIAF-LBPRGKRZSA-N 316.365 -0.342 30 20 DBED C=CCCn1cc(C(=O)N[C@@H]2CCN([C@H]3CCNC3=O)C2)nn1 1015821141 RGHTZGPVQQCWMZ-YPMHNXCESA-N 318.381 -0.453 30 20 DBED CC#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)c1nccnc1C(N)=O 1018248796 GEZAXVCBFDBFNS-TXEJJXNPSA-N 313.361 -0.112 30 20 DBED C=CCN1CC[C@H](N[C@H]2C[C@H](NC(=O)[C@@H]3CCN(C)C3)C2)C1=O 1021049044 GBVFEGKPUNYNPV-TUVASFSCSA-N 320.437 -0.038 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCNC2=O)C1 1025010777 XDHLRAVSJUYFMK-HBNTYKKESA-N 309.366 -0.977 30 20 DBED C[C@@H](NC(=O)c1cn(C)c(=O)nc1O)[C@@H]1CCCN(CC#N)C1 1025619232 UXJFAZBETZHSKB-GHMZBOCLSA-N 319.365 -0.160 30 20 DBED Cn1cnn(CCC(=O)N2C[C@H]3[C@@H](NCC#N)CC[C@H]3C2)c1=O 1026315222 LMRJPSUVXYAVAR-XQQFMLRXSA-N 318.381 -0.678 30 20 DBED C=C(Cl)CN1CC[C@H](CNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 1028838420 HEADJMAKTRDPGB-ZJUUUORDSA-N 314.773 -0.225 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)Cc3cnoc3)C2)C1=O 1030828071 USCHKSZFRGSPHB-CYBMUJFWSA-N 304.350 -0.196 30 20 DBED C#CCCN1CC(CNC(=O)[C@H]2CCc3nnn(C)c3C2)C1 1031925256 FALIOVPLXZKWKK-ZDUSSCGKSA-N 301.394 -0.009 30 20 DBED C#CCN1C[C@@H]2C[C@H]1CN2C(=O)Cn1c(C)cc(C)nc1=O 1032702170 NEHCTSXSDXAIAS-KBPBESRZSA-N 300.362 -0.222 30 20 DBED C#CCCN1CCO[C@@H](CNC(=O)c2ccnc3[nH]nnc23)C1 1035441055 VGXSWTLGFXINRU-NSHDSACASA-N 314.349 -0.193 30 20 DBED N#CCN1CCO[C@H](CNC(=O)c2cc(C(N)=O)cs2)C1 1035616520 JKLKNSGUHGBKRI-SNVBAGLBSA-N 308.363 -0.199 30 20 DBED C=CCN1CC[C@H]2CN(C(=O)CN3CCOCC3=O)CC[C@H]21 1036738517 IWDORERGHAOKMU-UONOGXRCSA-N 307.394 -0.046 30 20 DBED C#CCN1CCC(C(=O)NC[C@H]2CCN2[C@@H]2CCNC2=O)CC1 1039041458 CVPVNGCOBJVIHX-HUUCEWRRSA-N 318.421 -0.589 30 20 DBED C#CCCCC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2CCOC2)C1 1039572738 BZDIRWWGGMRZNR-CJNGLKHVSA-N 308.378 -0.094 30 20 DBED C#CCCCC(=O)N1CC[C@](O)(CNC(=O)CN2CCCC2)C1 1039764222 UUFMRQUSMJXXHD-KRWDZBQOSA-N 321.421 -0.035 30 20 DBED C[C@@H]1CCN(C(=O)C(N)=O)C[C@@H]1CN=c1cc[nH]cc1C#N 1039890234 YCVQJGILHJNXAM-PWSUYJOCSA-N 301.350 -0.243 30 20 DBED CC#CCN1CC[C@@]2(CCN(C(=O)C3CS(=O)(=O)C3)C2)C1 1041320348 DZPSFSJEGGJAIN-OAHLLOKOSA-N 310.419 -0.021 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)c2ccc(C(N)=O)[nH]2)C1 1041963239 KVAYABCXMLDFSR-UHFFFAOYSA-N 320.349 -0.617 30 20 DBED C=CCN1CC[C@@H]2CCN(C(=O)Cn3nc(C)n(C)c3=O)C[C@@H]21 1042333421 OOBOIDMGZRNGMM-KGLIPLIRSA-N 319.409 -0.001 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)c2[nH]ccc2C)C1 1042854500 XNKNWFOCVXSQEW-GFCCVEGCSA-N 319.361 -0.335 30 20 DBED O=C(C#CC1CC1)NCC1(O)CN(C(=O)CC2OCCCO2)C1 1042957918 BCNUVVXXCCNTAX-UHFFFAOYSA-N 322.361 -0.758 30 20 DBED CCn1cc(C(=O)N2CC(O)(CNC(=O)C#CC3CC3)C2)nn1 1042960189 HMVXWWSPKOFUHV-UHFFFAOYSA-N 317.349 -0.986 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042964563 JLILPIRPZNIWHQ-LBPRGKRZSA-N 306.362 -0.320 30 20 DBED Cc1ccc(C(=O)NCC2(O)CN(C(=O)C#CC3CC3)C2)nn1 1042972662 JOAIRZVINLOPOV-UHFFFAOYSA-N 314.345 -0.498 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]2C2CC2)C1 1043231375 CUFKISQHGRHQGF-KWCYVHTRSA-N 320.389 -0.240 30 20 DBED C=C(C)CCC(=O)NCC1(O)CN(C(=O)c2[nH]nnc2C)C1 1043315673 RKTJACOFCHYHPC-UHFFFAOYSA-N 307.354 -0.227 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)C3=COCCO3)C2)nc1 1043837829 WJCXENYVWSFYHN-NEPJUHHUSA-N 316.317 -0.493 30 20 DBED N#Cc1cnc(N2C[C@H](O)[C@H](NC(=O)c3cn[nH]c3)C2)c(F)c1 1043846320 TZQRERVKHSHEGK-NEPJUHHUSA-N 316.296 -0.205 30 20 DBED C#Cc1ccc(C(=O)NCC2(O)CN(C(=O)CCOC)C2)cn1 1044254920 LUDXGQBUYMZRFT-UHFFFAOYSA-N 317.345 -0.598 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2ncccn2)C1 1045216887 KVBNIJASEFZOGU-NSHDSACASA-N 320.349 -0.629 30 20 DBED C#Cc1ccc(C(=O)N2CC(O)(CNC(=O)[C@@H](C)C#N)C2)nc1 1045546443 MEAJBZKRAMJCRK-NSHDSACASA-N 312.329 -0.474 30 20 DBED C[C@@H]1CCCN(C(=O)C(=O)N(C)[C@H]2CN(CC#N)C[C@@H]2O)C1 1047555263 UXKJKHAIAAMUFC-AGIUHOORSA-N 308.382 -0.728 30 20 DBED Cc1cn2ccnc(C(=O)N(C)[C@H]3CN(CC#N)C[C@@H]3O)c2n1 1047589377 GVWLJHFWOLHXQK-RYUDHWBXSA-N 314.349 -0.322 30 20 DBED C#Cc1ccc(C(=O)N(C)[C@H]2CN(CCOC)C[C@@H]2O)cn1 1047599496 WNRGCKJKTRPQDA-GJZGRUSLSA-N 303.362 -0.174 30 20 DBED C[C@@H]1CCO[C@@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C#CC2CC2)C1 1048825208 YNCJWJMFIAIAOA-DSRCVFDASA-N 320.389 -0.145 30 20 DBED Cc1nn[nH]c1C(=O)N1CC[C@H](N2CCN(CC#N)CC2)C1 1052060302 BQVLHGLZXIGAAB-LBPRGKRZSA-N 303.370 -0.531 30 20 DBED N#CCN1CCN([C@@H]2CCN(C(=O)c3c[nH]c(=O)cn3)C2)CC1 1052070378 GZFDITQTLIPOBP-GFCCVEGCSA-N 316.365 -0.874 30 20 DBED CC#CCN1CCN([C@@H]2CCN(C(=O)c3cnn(C)n3)C2)CC1 1052098224 FPJKVPSLHYOTTE-CQSZACIVSA-N 316.409 -0.330 30 20 DBED C=CCN1CCC[C@@H](NC(=O)CN2CCN(C)C(=O)C2)CC1 1052502536 LQKWUPBDNYOIAN-CQSZACIVSA-N 308.426 -0.083 30 20 DBED N#CCN1CC2(C1)CN(C(=O)C[C@@H]1CCCC(=O)N1)CCO2 1053334236 RQHCOXMYJHBDEP-LBPRGKRZSA-N 306.366 -0.518 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)CN1C(=O)CCC1=O)CCO2 1053528687 OKGMEAMABRWRER-UHFFFAOYSA-N 319.361 -0.928 30 20 DBED C#CCN1CC2(C1)CN(C(=O)CCc1cnn(C)c1)CCO2 1053540511 VAFHTRZLZHZROF-UHFFFAOYSA-N 302.378 -0.101 30 20 DBED C=CCN1CC2(C[C@H](NC(=O)c3cc(C(N)=O)c[nH]3)CO2)C1 1053968456 PAUXUEWILSVWCU-NSHDSACASA-N 304.350 -0.127 30 20 DBED C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1NCc1nnn(C)n1 1054545911 DSASUTWWMRULJO-SKDRFNHKSA-N 314.353 -0.340 30 20 DBED N#Cc1ccc(N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)Cn2cnnn2)nc1 1054891177 PMYLNQKCXYYZHH-AGIUHOORSA-N 324.348 -0.134 30 20 DBED CC#CCCCC(=O)N[C@@]1(CO)CCCN(C(=O)CC(N)=O)C1 1056060459 ZIVXHJDGSXTGSN-INIZCTEOSA-N 323.393 -0.475 30 20 DBED C=CCCOCC(=O)NCCN(CCO)C(=O)CSC 1056904184 OQUBJFQZYPTAOP-UHFFFAOYSA-N 304.412 -0.121 30 20 DBED CC(F)(F)C(=O)NCCN(CCO)C(=O)CSCC#N 1057026517 BKXVMNJGLDHPPV-UHFFFAOYSA-N 309.338 -0.165 30 20 DBED C=C[C@](C)(O)CC(=O)N(CCO)CCNC(=O)c1cnn(C)c1 1057450759 YOCDNTZDDBTNQA-HNNXBMFYSA-N 324.381 -0.702 30 20 DBED C#CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)c1cocn1 1057583049 FXJLLYZRMXBZTM-NSHDSACASA-N 309.322 -0.736 30 20 DBED N#Cc1cnccc1N1CCC[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 1058231534 KASVORDFESLTCL-NWDGAFQWSA-N 314.349 -0.280 30 20 DBED C=C[C@H](C)[C@@H](C)C(=O)NCCN(CCO)C(=O)c1nnn(C)n1 1058421768 GRTCLCUAQJWQPO-WDEREUQCSA-N 324.385 -0.781 30 20 DBED CN1CCC[C@@H]1C(=O)N[C@H]1C[C@H](N=c2cc[nH]c(C#N)n2)C1 1059167285 LMYDXENSJNUJII-IJLUTSLNSA-N 300.366 -0.077 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CC[C@H](NC(=O)c2nnn(C)n2)CC1 1060781259 ZOZHZSYFGHEXDZ-DCAQKATOSA-N 319.369 -0.225 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)CC1(O)CCC1 1061846781 HIFQHFJDGXCVHT-RYUDHWBXSA-N 309.366 -0.205 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)C1CCOCC1 1061848702 UEWQEJLYHBMAQQ-DGCLKSJQSA-N 309.366 -0.084 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](CN(C)c2ccc3nnnn3n2)C1 1062095520 AGLBMLLCFOKEIP-GHMZBOCLSA-N 314.353 -0.036 30 20 DBED Cc1cc(C#N)nc(N2CC[C@@H]3CCN(C(=O)C(N)=O)C[C@H]32)n1 1064699725 ZQYRPXBSLFYYCX-CMPLNLGQSA-N 314.349 -0.431 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)[C@H]2COC(=O)N2)CCO1 1065108405 RTXXQBNWLBEDQS-NWDGAFQWSA-N 323.349 -0.902 30 20 DBED CC(=O)NCC(=O)NC[C@@H]1CN(C(=O)C#CC(C)C)CCO1 1065124962 SAOOTCZDTZODDC-CYBMUJFWSA-N 309.366 -0.875 30 20 DBED N#Cc1nccnc1N1C[C@H]2CC[C@H]1CN2C(=O)CC(N)=O 1068033810 RFRZYQHLRPDBGU-ZJUUUORDSA-N 300.322 -0.597 30 20 DBED Cc1cc(C#N)nc(NC[C@@H]2CC[C@@H](NC(=O)C(N)=O)C2)n1 1069501306 XGRLMBMNRFGLIJ-NXEZZACHSA-N 302.338 -0.161 30 20 DBED CN(C(=O)c1nnn(C)n1)C1CC(Nc2ccc(C#N)nn2)C1 1069790221 WONQFXSWESFSRT-UHFFFAOYSA-N 313.325 -0.413 30 20 DBED N#CCN[C@@H]1CN(C(=O)C2=COCCO2)C[C@@H]1n1ccnn1 1070131922 BIXVENWEOCXAQM-MNOVXSKESA-N 304.310 -0.969 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)CCCC(N)=O)CCOCC1 1070234208 PKUNAPMKHHWARL-NSHDSACASA-N 324.381 -0.417 30 20 DBED C=CCN1C[C@H]2C[C@@H]3CN(C(=O)[C@@H]4CN(C)CCO4)C[C@@]3(C1)O2 1070779738 GJIHPBWNYQQWCB-PNBKFKSVSA-N 321.421 -0.195 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)[C@H]4C[C@H]4C(N)=O)C[C@@]3(C1)O2 1070855568 PVLCDGNAXIOKEI-SUNOKAMTSA-N 303.362 -0.957 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CCCN(C(=O)C(=O)NCC2CC2)C1 1071190688 KHFRZMSBKJXFMK-ZYHUDNBSSA-N 306.366 -0.221 30 20 DBED CNC(=O)NCCC(=O)N[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1C 1072050215 ZIOBUXDPUITQDV-AAEUAGOBSA-N 320.393 -0.318 30 20 DBED CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]1CN(CC#N)CCCO1 1073769405 GJYZPVHUVACMRR-RWMBFGLXSA-N 308.382 -0.559 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)c2ccc(C(N)=O)cn2)C1 1073911143 ISWJODIAKIPJGJ-ZDUSSCGKSA-N 316.361 -0.366 30 20 DBED C#Cc1ccc(C(=O)N[C@@H](C)CCNC(=O)CNC(N)=O)nc1 1075545514 AJGUDNFXTMROQW-JTQLQIEISA-N 317.349 -0.644 30 20 DBED CC(C)S(=O)(=O)CC(=O)NCC[C@H](C)NC(=O)[C@H](C)C#N 1076625506 MMRDHMZTFXMLNM-MNOVXSKESA-N 317.411 -0.020 30 20 DBED C=C[C@](C)(O)CC(=O)N(CC)C1CN(C(=O)Cn2nccn2)C1 1079686350 AQJGKGPWQJRBAA-HNNXBMFYSA-N 321.381 -0.336 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=COCCO2)C1 1081217046 BRUHXFAVTQFIHW-QWHCGFSZSA-N 322.361 -0.531 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2cc(C)on2)C1 1081231640 OKHRYVYMAGBZIW-DGCLKSJQSA-N 323.349 -0.265 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2cncnc2)C1 1081424250 CEFXSBRTHUFMIA-ZIAGYGMSSA-N 316.361 -0.315 30 20 DBED C=CCCC(=O)N1C[C@H](CNC(=O)c2cncnc2)[C@@H](O)C1 1081425200 OXSQRCYDVBPZGX-STQMWFEESA-N 304.350 -0.008 30 20 DBED C=CCCn1cc(C(=O)N[C@@H]2CN(CC#N)C[C@H]2OC)nn1 1082218749 BJHIZNVXRXGMHC-DGCLKSJQSA-N 304.354 -0.193 30 20 DBED C#CCN1CCC(C(=O)N[C@@H]2CN(CCCO)C[C@H]2OC)CC1 1082383019 FIJUSBWJTASTGB-HZPDHXFCSA-N 323.437 -0.471 30 20 DBED C=C1CCC(C(=O)N[C@@H]2CN(Cc3nc(O)n[nH]3)C[C@@H]2O)CC1 1083754530 VUNKRIZNEFSUJA-NEPJUHHUSA-N 321.381 -0.082 30 20 DBED CNC(=O)c1cccc(C(=O)N[C@@H]2CN(CC#N)C[C@@H]2O)c1 1084072738 YUOGYJLFWXKMJO-OLZOCXBDSA-N 302.334 -0.655 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)Cn1cnnn1)N=c1cc[nH]c(C#N)n1 1089215484 QMJNGIZOBDUZTO-VHSXEESVSA-N 315.341 -0.848 30 20 DBED C#CCN1C[C@H]2[C@H]3CC[C@@H]([C@H]2C1)N(C(=O)Cn1cnnc1O)C3 1089794901 IWBYMAXWXVXRON-XUXIUFHCSA-N 315.377 -0.214 30 20 DBED CCc1nnc(N2C[C@@H](O)[C@H](NC(=O)[C@@H](C)C#N)C2)nc1CC 1090404906 YSSWMARVUUFRDL-ZWKOPEQDSA-N 318.381 -0.178 30 20 DBED N#Cc1ccc(CN2CC[C@H](NC(=O)C(N)=O)[C@@H](O)C2)cc1F 1090533228 XRPSUHNGUBZOSC-STQMWFEESA-N 320.324 -0.766 30 20 DBED COc1cc(CC(=O)N[C@@H]2CCN(CC#N)C[C@H]2O)ccn1 1090571251 BHBWZXBRFRTQHH-CHWSQXEVSA-N 304.350 -0.292 30 20 DBED C[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1CNC(=O)CNC(N)=O 1092322106 SSIUCZGCPKKYTL-NXEZZACHSA-N 317.353 -0.795 30 20 DBED CC#CCN1C[C@@H](C)[C@H](CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 1092963658 SZXPYNAIBGTSPW-YIYPIFLZSA-N 307.394 -0.273 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@H]2CN(c3cc(F)ncn3)C[C@H]12 1093265653 JSJKNLAUMLNVSQ-UWVGGRQHSA-N 317.324 -0.694 30 20 DBED C=CCn1cc(C(=O)NCCNc2nc[nH]c3ncnc2-3)nn1 1094164509 XDOUGVJEZQAQEX-UHFFFAOYSA-N 313.325 -0.076 30 20 DBED N#Cc1cccnc1NCCNC(=O)C[C@@H]1NC(=O)NC1=O 1094214751 OZIISXDYYRLADN-VIFPVBQESA-N 302.294 -0.921 30 20 DBED C#CCCN1CC(n2cc(CNC(=O)[C@@]34COC[C@@H]3C4)nn2)C1 1094292922 NHSLEHJLSZCFEA-LRDDRELGSA-N 315.377 -0.189 30 20 DBED N#Cc1c[nH]ccc1=NCCCNC(=O)CC1CS(=O)(=O)C1 1094651637 BSBLEHNCNRLTOL-UHFFFAOYSA-N 322.390 -0.272 30 20 DBED C#CCN1CCN(C(=O)c2cccnn2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094669222 NCWSUWUZOXVQDH-QWHCGFSZSA-N 320.374 -0.967 30 20 DBED CNS(=O)(=O)CC(=O)N1CC[C@@H](Nc2ccc(C#N)cn2)C1 1095040268 MVDAPCJQWHMPGZ-LLVKDONJSA-N 323.378 -0.485 30 20 DBED CN(CCCNC(=O)CCNC(N)=O)c1cncc(C#N)n1 1095556715 HUAXHGNHNUXWCM-UHFFFAOYSA-N 305.342 -0.651 30 20 DBED N#Cc1ccc(N[C@H](CNC(=O)[C@@H]2CNC(=O)N2)C2CC2)nn1 1096799753 AAQNPXROYZYVLL-MNOVXSKESA-N 315.337 -0.664 30 20 DBED CC#CCN(CCO)C1CCN(C(=O)[C@]2(C)CCC(=O)N2)CC1 1098473294 ZLIATELHMRDGEE-KRWDZBQOSA-N 321.421 -0.036 30 20 DBED C#CCNCc1cn([C@H]2CCN(C(=O)COCCOC)C2)nn1 1098634817 XDXCSOBCCOAWQR-AWEZNQCLSA-N 321.381 -0.563 30 20 DBED Cc1nc(CC(=O)NCC[C@@H](C)N=c2cc[nH]c(C#N)n2)n[nH]1 1099087548 SEEDUDAPIZMAIE-SECBINFHSA-N 314.353 -0.254 30 20 DBED C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)Cn1ncn(C)c1=O 1099130868 UCRFRFDEODVCEW-CYBMUJFWSA-N 319.409 -0.178 30 20 DBED N#Cc1ccc(CN2CC[C@@H](NC(=O)CC(N)=O)[C@@H](O)C2)s1 1099758418 SKOIYIDUUQGJHX-NEPJUHHUSA-N 322.390 -0.453 30 20 DBED C#CCCN1CC[C@H](NC(=O)CCc2nccn2C)[C@H](O)C1 1099928100 IHXHAILTFZFCJX-UONOGXRCSA-N 304.394 -0.073 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)c2nc(C)c[nH]2)[C@H](O)C1 1100029535 POKHGLZZLKWIKA-NWDGAFQWSA-N 321.381 -0.815 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)c2ccncn2)[C@H](O)C1 1100039981 ZHKNPTDHJRARGT-GXTWGEPZSA-N 306.366 -0.156 30 20 DBED C#CCN1CC[C@H](NC(=O)CNC(=O)c2cscn2)[C@@H](O)C1 1100063751 BZTDKBXZMOQSHV-JQWIXIFHSA-N 322.390 -0.943 30 20 DBED CCN(CC)C(=O)CCC(=O)N[C@H]1CCN(CC#N)C[C@@H]1O 1100121463 AJCUKKBYDHAXPD-STQMWFEESA-N 310.398 -0.290 30 20 DBED N#Cc1c[nH]c(C(=O)NCC2CC(NCC(=O)NC(N)=O)C2)c1 1100221416 DAXZPDCUJWSGHX-UHFFFAOYSA-N 318.337 -0.821 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1CC(NCc2nnnn2C)C1 1100285949 ZWRVSVWQYZFNDA-QIMFLAQGSA-N 308.386 -0.478 30 20 DBED CCN(CCNC(=O)c1cc(=O)n(C)o1)c1nccnc1C#N 1100506276 NMURXCUHPOQAHX-UHFFFAOYSA-N 316.321 -0.104 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)CNC(=O)NC)c3nccn32)C1 1101630920 OFMAZIHZFQWIFU-LLVKDONJSA-N 316.365 -0.983 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)CC(=O)NCC1CC1 1101759829 FYZSKXADXFYZAQ-UHFFFAOYSA-N 316.365 -0.443 30 20 DBED N#Cc1nccnc1N1CCC[C@@H](CCNC(=O)CC(N)=O)C1 1102906200 YAAQPSFHWCYRDU-NSHDSACASA-N 316.365 -0.054 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H](CC)N=c1cc[nH]c(C#N)n1 1103039903 XTUOSBVJPLMCQR-LLVKDONJSA-N 314.349 -0.784 30 20 DBED C[C@@H](CNC(=O)Cc1nc[nH]n1)CNc1cncc(C#N)n1 1104077421 PIORDVPUEGWPTO-SECBINFHSA-N 300.326 -0.127 30 20 DBED C[C@H](CN=c1cc[nH]cc1C#N)CNC(=O)[C@H]1CCNC1=O 1104156951 BEJRUXDTXLHRTO-PWSUYJOCSA-N 301.350 -0.325 30 20 DBED C[C@H](CNC(=O)[C@@H]1CCN(C)C1=O)CNc1ccc(C#N)nn1 1104158796 CIMVDRDDAJVNBZ-JQWIXIFHSA-N 316.365 -0.009 30 20 DBED C[C@@H](CNc1ccc(C#N)cn1)N(C)C(=O)Cn1cnnn1 1104448090 WSCNMSHLXZMAPS-JTQLQIEISA-N 300.326 -0.101 30 20 DBED C[C@H](CNc1nccnc1C#N)N(C)C(=O)[C@H]1CN(C)C(=O)N1 1104766014 BELQUQXJMUIFSM-MWLCHTKSSA-N 317.353 -0.369 30 20 DBED C#CCCN1CC(OC2CCN(C(=O)[C@H](C)NC(N)=O)CC2)C1 1105704568 ZNXWPIHABKCLNQ-LBPRGKRZSA-N 322.409 -0.242 30 20 DBED N#Cc1cnc(NC[C@H](O)CNC(=O)C[C@H]2CCOC2)cn1 1105760759 YHTQJAJWTQNFCO-PWSUYJOCSA-N 305.338 -0.336 30 20 DBED C[C@@H]1CN(C(=O)CCNC(=O)[C@H]2CCCO2)C[C@H]1CNCC#N 1107086405 WAIYTPRNBXIHJP-MGPQQGTHSA-N 322.409 -0.121 30 20 DBED C=CCCN1CC(n2cc(CNC(=O)[C@H](COC)OC)nn2)C1 1107207838 GOVWGPNJRQMWMS-AWEZNQCLSA-N 323.397 -0.012 30 20 DBED C[C@]1(CNC(=O)C[C@H]2CCCC(=O)N2)CN(CC#N)CCO1 1108063616 UKINKCAMBMJFDM-DOMZBBRYSA-N 308.382 -0.224 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)c2ccc(OC)nn2)C1 1108323691 NEGGXIQFGTVASU-HNNXBMFYSA-N 304.350 -0.061 30 20 DBED CC#CCN1CCO[C@@](C)(CNC(=O)CCc2cn(C)nn2)C1 1108443871 UGHHWXSNBMRVGM-INIZCTEOSA-N 319.409 -0.022 30 20 DBED C#CCCN1CC(N2C[C@H](NC(=O)[C@H](CC)N(C)C)CC2=O)C1 1108578189 XVHJOHCXQXEGMH-HIFRSBDPSA-N 320.437 -0.249 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)CCN(C)CC)CC2=O)C1 1108583624 OHHCPHGWUUJQMV-ZDUSSCGKSA-N 306.410 -0.637 30 20 DBED CCN1CCOC[C@H]1C(=O)N[C@@H](C)CN=c1cc[nH]c(C#N)n1 1108597962 DSFDTPFIIVCLCF-RYUDHWBXSA-N 318.381 -0.593 30 20 DBED C[C@@H](CNc1nccnc1C#N)NC(=O)c1cn(C)c(=O)cn1 1108792944 MMPHASBAPWRQNG-VIFPVBQESA-N 313.321 -0.328 30 20 DBED COCCOCC(=O)N[C@@H](C)CN(C)c1ccc(C#N)nn1 1108882103 KECVEAIKWKLMJT-NSHDSACASA-N 307.354 -0.048 30 20 DBED C[C@@H](CN(C)c1ccnc(C#N)n1)NC(=O)C1CS(=O)(=O)C1 1109117151 UTSGMNDTFKFHNP-VIFPVBQESA-N 323.378 -0.666 30 20 DBED N#Cc1ccc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)CCNC(N)=O)cn1 1109709227 YGUWXPFGPZKKOE-LQJRIPTKSA-N 314.349 -0.295 30 20 DBED C=CCOCC(=O)NC[C@@]1(O)CCN(c2ncc(F)cn2)C1 1111039323 DMGQAXGVEAHZOG-AWEZNQCLSA-N 310.329 -0.124 30 20 DBED CC[C@@H](OC)C(=O)NC[C@]1(O)CCN(c2ccc(C#N)nn2)C1 1111043269 BIYTYLGVMADIFK-IUODEOHRSA-N 319.365 -0.169 30 20 DBED CC(C)[C@@H](O)C(=O)NC[C@@]1(O)CCN(c2nccnc2C#N)C1 1111075733 IYWYUJITORCROO-DOMZBBRYSA-N 319.365 -0.577 30 20 DBED C=C[C@@](C)(O)CC(=O)N(C)[C@H]1CN(c2cnc(F)cn2)C[C@@H]1O 1111179836 AEMWRXJCMIJPIC-ZIBATOQPSA-N 324.356 -0.049 30 20 DBED CCCN(C)CC(=O)N(CCO)CCNc1cnc(C#N)cn1 1111492509 CBTHHZULKNZYRD-UHFFFAOYSA-N 320.397 -0.077 30 20 DBED COC[C@@H](C)C(=O)NC[C@H]1COCCN1c1ccnc(C#N)n1 1111666012 UDQVWMNDIJSODW-NEPJUHHUSA-N 319.365 -0.048 30 20 DBED C[C@@H](c1nnnn1C)N1CCN(C(=O)CSCC#N)CC1 1112630388 ZCKXTPJPDISGRL-JTQLQIEISA-N 309.399 -0.328 30 20 DBED C=CCOCC(=O)N1CCN(Cc2nc(N(C)C)no2)CC1 1112708569 NECRBJRTLZNGEQ-UHFFFAOYSA-N 309.370 -0.018 30 20 DBED Cc1cc(C(=O)N2CCN(CC(=O)NCC#N)CC2)ns1 1112804768 RAZPSLXGGPBKQE-UHFFFAOYSA-N 307.379 -0.151 30 20 DBED COc1cc(C(=O)N2CCN(CC(=O)NCC#N)CC2)sn1 1112864362 GYMFQXOJXCRTHX-UHFFFAOYSA-N 323.378 -0.451 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)[C@@H]2CCN(C)C2=O)CC1 1113221660 ZWPWOBUUTAMNEW-CHWSQXEVSA-N 322.409 -0.700 30 20 DBED CCc1oncc1C(=O)N1CCN(CC(=O)NCC#N)CC1 1113391677 NZXNWSVZEUCWFZ-UHFFFAOYSA-N 305.338 -0.365 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)c3cnccn3)[C@H]2C1 1113790487 IVRBSQDCNZIICF-CIQGVGRVSA-N 315.377 -0.173 30 20 DBED C=CC(C)(C)CC(=O)NC1[C@@H]2CN(CC(=O)NC(N)=O)C[C@@H]12 1114327895 DZCJXBOBPABINR-NXEZZACHSA-N 308.382 -0.170 30 20 DBED COCC#CCN1C[C@@H]2C(NC(=O)Cn3ccnc3C)[C@H]2C1 1115243502 OWRJXWBNTXUASK-KBPBESRZSA-N 302.378 -0.112 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)NCC(C)(C)S(C)(=O)=O 1117527505 FORAUMQISVYFPD-UHFFFAOYSA-N 312.391 -0.589 30 20 DBED N#CCN1CCC(NC(=O)C(=O)NCCCOC(F)F)CC1 1117652831 HNQNURHUMXHVDC-UHFFFAOYSA-N 318.324 -0.164 30 20 DBED C#CCNC(=O)C1CCN(C(=O)C(=O)N2CCC(F)CC2)CC1 1120457248 BJYAUXUOWSKFPC-UHFFFAOYSA-N 323.368 -0.065 30 20 DBED CC(C)(C#N)C[C@@H](O)CNCCN1CCS(=O)(=O)CC1 1120481532 QOIMETBGPJVYHE-GFCCVEGCSA-N 303.428 -0.393 30 20 DBED Cc1cnc(C(=O)NC[C@H](CO)Nc2cncc(C#N)n2)cn1 1121150255 IOVQTUPAMGKEMB-LLVKDONJSA-N 313.321 -0.351 30 20 DBED C[C@H](C(=O)NC[C@H](CO)Nc1cncc(C#N)n1)n1cccn1 1121220468 GFTRYSXSWVCELX-ZYHUDNBSSA-N 315.337 -0.305 30 20 DBED C[C@@]1(C(=O)NC[C@@H](CO)Nc2ccc(C#N)nc2)CCC(=O)N1 1122486949 CPUROQYOVSNKJM-WFASDCNBSA-N 317.349 -0.489 30 20 DBED CCc1n[nH]cc1C(=O)NC[C@@H](CO)Nc1nccnc1C#N 1122831404 ZBURDYBTJVAZRS-VIFPVBQESA-N 315.337 -0.163 30 20 DBED C[C@H]1[C@H](N=c2cc[nH]cc2C#N)CCN1C(=O)CCNC(N)=O 1123012734 ORMCBNDWWGJBFL-CMPLNLGQSA-N 316.365 -0.165 30 20 DBED C[C@@H]1C[C@@H](Nc2nccnc2C#N)CN1C(=O)CNC(N)=O 1123144246 ABUPRSASTYATAD-RKDXNWHRSA-N 303.326 -0.582 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)c1ccccc1O 1123758793 OPPMBMBLLOKFLX-UHFFFAOYSA-N 320.349 -0.277 30 20 DBED CN1CC[C@@H](C(=O)N(C)C[C@H](O)CNc2ccc(C#N)nn2)C1 1124351731 DQDDTSLPNHJDQD-DGCLKSJQSA-N 318.381 -0.469 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)c1ccnn1C 1124562524 ZQTXARAOJWCILR-JTQLQIEISA-N 322.369 -0.860 30 20 DBED CC(=O)NCC(=O)N(C)C1CC(N=c2cc[nH]cc2C#N)C1 1126837800 YZJLSJIOEYAJIT-UHFFFAOYSA-N 301.350 -0.087 30 20 DBED C#CCOCCC(=O)NCCN[C@H](C)c1nnnn1C1CC1 1127031882 LAYIRVAQHBQEMN-LLVKDONJSA-N 306.370 -0.185 30 20 DBED C#CCN1CC[C@@]2(C1)CN(C(=O)CC(=O)N(C)C)C[C@@H](C)O2 1131691826 AKSIRMBPOWGHPB-CZUORRHYSA-N 307.394 -0.210 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)[C@H]1CC[C@@H](F)C1 1132953886 IMFGHCUTKRDDTJ-WDEREUQCSA-N 314.361 -0.158 30 20 DBED C#Cc1cncc(C(=O)NCCNCc2nnnn2CCC)c1 1133596999 GZCJASAIQOADMY-UHFFFAOYSA-N 313.365 -0.021 30 20 DBED COCC#CCNCCNC(=O)COC[C@H](C)N1CCCC1 1134020726 GIWZCQHUTOCESP-HNNXBMFYSA-N 311.426 -0.157 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)c1cnnn1CC 1134321268 GNBZXPOFMWKTIJ-NWDGAFQWSA-N 320.397 -0.466 30 20 DBED C#CCOc1ncccc1C(=O)NCCNCc1cnn(C)n1 1148302077 BDFCHRKDHYLZTQ-UHFFFAOYSA-N 314.349 -0.258 30 20 DBED C=CCNC(=O)CNCCNC(=O)CCNC(=O)c1ccco1 1150285268 RIMGXQAMMLTZRQ-UHFFFAOYSA-N 322.365 -0.593 30 20 DBED C=C(C)CCNCCNC(=O)CN1CCS(=O)(=O)CC1 1151003375 ZPBIQKVATLHCRQ-UHFFFAOYSA-N 303.428 -0.611 30 20 DBED C#CCN1CCC(CCOC)(NC(=O)[C@H]2CN(C)CCO2)CC1 1151047297 KIFKIJSLZCNACN-OAHLLOKOSA-N 323.437 -0.063 30 20 DBED C=CCCCNCCNC(=O)c1cn(CC(=O)N(C)C)nn1 1152420901 LXBOKUKEAJQPDT-UHFFFAOYSA-N 308.386 -0.348 30 20 DBED Cc1cc(C(=O)NCCNCC(=O)NCC#N)nn1C(C)C 1153890517 LXBFXRQEYJBRAC-UHFFFAOYSA-N 306.370 -0.268 30 20 DBED COCC1(CNC(=O)C#CC2CC2)CCN(CC(N)=O)CC1 1162263991 CQIIBQXWJAGZGC-UHFFFAOYSA-N 307.394 -0.270 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCC1(CNCc2nnnn2C)CC1 1164303649 QLTVKCTXIWLLFN-CQSZACIVSA-N 322.413 -0.087 30 20 DBED COCC#CCNCC1(CCNC(=O)[C@H]2CNC(=O)N2)CC1 1166902371 IKLMAPJBLHBHKG-GFCCVEGCSA-N 308.382 -0.806 30 20 DBED C=CCNC(=O)CNCCCNC(=O)c1cnc2cccnn12 1167784158 RUUFCOFYMFIVDS-UHFFFAOYSA-N 316.365 -0.259 30 20 DBED CC#CCNCC1(CCNC(=O)Cn2nc(C)n(C)c2=O)CC1 1167942532 UYZTWACNBHJCAL-UHFFFAOYSA-N 319.409 -0.210 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)CCOCCOC)C[C@@H]21 1177161757 GQFHCZAGBHCNKR-LSDHHAIUSA-N 310.394 -0.026 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)C[C@@H](C)COC)[C@H]1C 1179828829 QGYKZEZNZAGJQB-RDBSUJKOSA-N 309.410 -0.013 30 20 DBED C#CCCNC[C@H]1CCN(C(=O)c2nnc(O)nc2O)C[C@H]1C 1184749501 ZXMQLIOUPSFMAV-GHMZBOCLSA-N 319.365 -0.006 30 20 DBED CCNC(=O)CN1C[C@@H]2CCN(C(=O)CSCC#N)[C@@H]2C1 1186917363 LIOACXBWYTYBND-NWDGAFQWSA-N 310.423 -0.088 30 20 DBED COCC#CCN1C[C@@H]2CCN(C(=O)Cn3cnnc3O)[C@@H]2C1 1187577586 XRTJPONIPIELGZ-QWHCGFSZSA-N 319.365 -0.834 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)C2=COCCO2)C1 1188717807 OISINFXQTWVCHE-LBPRGKRZSA-N 307.350 -0.843 30 20 DBED N#CCNC(=O)CN1C[C@@H]2CCN(C(=O)[C@]3(F)CCOC3)[C@@H]2C1 1188926341 NUGMSQOCHUWQEH-ZOWXZIJZSA-N 324.356 -0.713 30 20 DBED C#CCCN1C[C@@H]2CCN(C(=O)[C@@H](C)NS(C)(=O)=O)[C@@H]2C1 1189245635 DDKMYZFRFWXLRL-FRRDWIJNSA-N 313.423 -0.520 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@@H](N(C)CC(=O)NCC=C)C1 1190095353 TUEGMOXPHMDIMT-ZIAGYGMSSA-N 307.394 -0.140 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)[C@@H](CC)NC(C)=O)C1 1192473126 SRXUJOKMFRVGHX-ZIAGYGMSSA-N 322.409 -0.817 30 20 DBED C=CCN(C)[C@H]1CCN(C(=O)[C@H](CCC(N)=O)NC(C)=O)C1 1192887566 FHAIDQRDLPXPIV-STQMWFEESA-N 310.398 -0.525 30 20 DBED CN(CC#N)[C@@H]1CCN(C(=O)CCCN2C(=O)CNC2=O)C1 1193929054 GEUVDUSTYZIEKV-LLVKDONJSA-N 307.354 -0.625 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)Cn2ccnc2)C1 1194449636 WASNSARFMIUGPA-CYBMUJFWSA-N 305.382 -0.282 30 20 DBED C#CCNC(=O)[C@H](C)N1CCCN(C(=O)Cc2cc[nH]n2)CC1 1195393697 DGLLWCJZELUUDB-ZDUSSCGKSA-N 317.393 -0.376 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H](OC)C(C)C)C1 1195871672 SELTWRPAAKLDGS-YRGRVCCFSA-N 313.398 -0.879 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)CCCC(=O)N(CC)CC)C1 1196961869 WHUCJVLAZGYYLA-ZIAGYGMSSA-N 309.410 -0.180 30 20 DBED C=CCN1CC[C@H](NC2CCN(C(=O)CNC(C)=O)CC2)C1=O 1199137750 IKQWAPOFXMPURH-AWEZNQCLSA-N 322.409 -0.510 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)[C@@H]2COCCN2C)CCCO1 1200312034 RFVCEQCQOJGOIU-CABCVRRESA-N 309.410 -0.453 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)c2cn(C)nn2)CC1 1200370753 DIHGZFFEFXGFHC-UHFFFAOYSA-N 306.370 -0.689 30 20 DBED Cc1ncn(C)c1C(=O)N1CCC(NCC(=O)NCC#N)CC1 1201149768 JQQMTGFHCFROPW-UHFFFAOYSA-N 318.381 -0.438 30 20 DBED N#CCNC(=O)CN[C@H]1C[C@H](NC(=O)c2ccon2)C12CCC2 1202560559 DXYHCEWQUHHSBX-RYUDHWBXSA-N 317.349 -0.055 30 20 DBED C[C@@H]1CN(Cc2nc(O)n[nH]2)C[C@H]1NC(=O)CSCC#N 1206089969 IFUJQGUHSQITIX-RKDXNWHRSA-N 310.383 -0.296 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1206959019 QMYOEISYYIXTDN-CHWSQXEVSA-N 306.366 -0.897 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)c2cnn(C)c2C)C1 1207305897 FJFAPMXYWKEILZ-CYBMUJFWSA-N 317.393 -0.328 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2n[nH]cc2F)[C@H](C)C1 1208517336 GDNWPPUJUBOKLN-MWLCHTKSSA-N 307.329 -0.652 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@@H](C(C)C)N1CCCC1=O 1213979650 CHNPUPSAKALTHT-UMVBOHGHSA-N 322.409 -0.028 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)[C@@H]2CN(C)C(=O)N2)C[C@H]1C 1215309402 HBEZHSZDFSGXRW-UPJWGTAASA-N 308.382 -0.904 30 20 DBED C=CCCC(=O)N[C@@H]1CN(CCCS(C)(=O)=O)C[C@@H]1O 1219344135 BKTPIXATFOGAHN-NEPJUHHUSA-N 304.412 -0.451 30 20 DBED C=CCCCN1C[C@H](O)[C@H](NC(=O)Cc2cn(CC)nn2)C1 1220046382 YXCARUBGPPDJJK-KGLIPLIRSA-N 307.398 -0.032 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)CCc2ccccn2)C1 1220125143 AGCSIODYDFJSMZ-CVEARBPZSA-N 317.389 -0.175 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](NC(=O)COCc2ncnn2C)C1 1220660804 CCEKHTPSELZVIJ-OLZOCXBDSA-N 323.397 -0.541 30 20 DBED C=CCCOCC(=O)N1C[C@H]2CCN(CC(=O)NC(N)=O)C[C@H]21 1222064091 COJMNSHYYKQBLJ-VXGBXAGGSA-N 324.381 -0.693 30 20 DBED C=CCNC(=O)CN1CCC(CNC(=O)CCCC(N)=O)CC1 1225665101 KCTKIOLUKCEVRR-UHFFFAOYSA-N 324.425 -0.228 30 20 DBED COCC#CCN1CCC(NC(=O)[C@@H]2CN(C)C(=O)N2)CC1 1228596898 MJAIREVBSOGVRZ-ZDUSSCGKSA-N 308.382 -0.760 30 20 DBED C=CCSCCNC(=O)C(=O)N1C[C@H](OC)[C@H](OC)C1 1257471844 GTYYEOMKEFABTQ-PHIMTYICSA-N 302.396 -0.106 30 20 DBED C=CCCSCCNC(=O)C(=O)N[C@@H](C)CS(C)(=O)=O 1261698250 DTCFIARATQPNFH-JTQLQIEISA-N 322.452 -0.039 30 20 DBED Cc1ccc(S(N)(=O)=O)c(C(=O)OCC(=O)NCC#N)c1 1319670597 PQODALNHXOUCPH-UHFFFAOYSA-N 311.319 -0.561 30 20 DBED C[C@H](C#N)CNC(=O)C(=O)Nc1cccc(OCC(N)=O)c1 1319792450 BEZDXEYEWMDTDI-SECBINFHSA-N 304.306 -0.235 30 20 DBED C=C[C@H](COC)NC(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 1321242592 CVDBKDQXPJORAG-GHMZBOCLSA-N 305.400 -0.232 30 20 DBED CCN1CCC(NC(=O)C(=O)NC2CCN(CC#N)CC2)CC1 1321577273 DSTNAFNOIYIGKQ-UHFFFAOYSA-N 321.425 -0.309 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)Nc1c(C(=O)OCC)cnn1C 1321714202 VSDIIPBJIOFSIH-VIFPVBQESA-N 324.337 -0.148 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N[C@@H](C)c1ncnn1C 1326221455 ZXBWVVTUHPXNMW-VIFPVBQESA-N 301.372 -0.224 30 20 DBED CC#CCCNC(=O)C(=O)N[C@@H]1CCOC[C@H]1OCCOC 1327050731 HLVRYHRDYIRBHH-CHWSQXEVSA-N 312.366 -0.547 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)NCCn1cnnc1CC 1328082918 HDVLWYDIMFKPSE-UHFFFAOYSA-N 321.381 -0.545 30 20 DBED C#CCn1ccc(CN(CC)C(=O)C(=O)N(CC)CCN)n1 1329611554 CUNLWJXDCXZUSS-UHFFFAOYSA-N 305.382 -0.328 30 20 DBED C=CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)[C@H](C)COC 1329911290 KLDDCXXPIYTTLE-NEPJUHHUSA-N 304.412 -0.187 30 20 DBED CC[C@H](CN1CCOCC1)NC(=O)C(=O)N1CCC[C@H](C#N)C1 1336240885 KLYGANDIQUQQQF-ZIAGYGMSSA-N 322.409 -0.024 30 20 DBED C=CC[C@H](NS(=O)(=O)[C@H](C)C(=O)N(C)C)C(=O)OCC 1339289009 UDPPDNRLWPABCZ-ZJUUUORDSA-N 306.384 -0.110 30 20 DBED C=CCNC(=O)Cn1nnnc1N1CCC(OCCOC)CC1 1343875583 UHDJXBVAACOWPK-UHFFFAOYSA-N 324.385 -0.393 30 20 DBED CNC(=O)[C@@H]1CCCN(C(=O)C(=O)NCC2(CC#N)CC2)C1 1347565862 MWRIMCSBJMERMS-LLVKDONJSA-N 306.366 -0.219 30 20 DBED C=CCOCCNC(=O)C(=O)N1CC(=O)N[C@@H]2CCCC[C@@H]21 1350580728 WDCKFCONQCDQLM-NEPJUHHUSA-N 309.366 -0.425 30 20 DBED CCn1ncc(C)c1NC(=O)Cn1cc(C#N)c(O)nc1=O 1363225582 CUGROFVOCSQGBJ-UHFFFAOYSA-N 302.294 -0.016 30 20 DBED N#Cc1cncc(S(=O)(=O)NCc2nnc3n2CCOC3)c1 1365385894 RJBWFKFIEJZBJQ-UHFFFAOYSA-N 320.334 -0.447 30 20 DBED CCNS(=O)(=O)CCNS(=O)(=O)CC1(CC#N)CC1 1365645310 RSNCNVQCGKVSFZ-UHFFFAOYSA-N 309.413 -0.461 30 20 DBED C[C@@H](CC(N)=O)C(=O)NC[C@H](O)CNCc1cccc(C#N)c1 1367610011 WAENQMCSGDQIDW-SMDDNHRTSA-N 318.377 -0.364 30 20 DBED C=C(Br)CNC[C@@H](O)CNC(=O)Cn1cncn1 1374681419 PDLILDWYZVUTOH-SECBINFHSA-N 318.175 -0.747 30 20 DBED C[C@H](C#N)C(=O)N(C)CCN(C)C(=O)[C@@H]1CCCN1C(N)=O 1376331084 PVXLYSUYHSKARK-MNOVXSKESA-N 309.370 -0.394 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CCCN1C(=O)C1(NC(N)=O)CC1 1387390768 OSXVKTQMDPFWCM-NXEZZACHSA-N 307.354 -0.546 30 20 DBED CCNC(=O)NC(=O)CN1C[C@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2C1 1393417170 RRWPSBNOIKWPCS-UTUOFQBUSA-N 321.381 -0.618 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(Cc2cccc(C(N)=O)c2)C1 1402316882 JWHXETZXVHFUBR-NSHDSACASA-N 316.361 -0.392 30 20 DBED Cn1ncc(C(=O)NC[C@@H](O)CNCc2ccc(C#N)cc2)n1 1406267693 BVZNBMSDICSVHW-ZDUSSCGKSA-N 314.349 -0.433 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2CCC(=O)N2C)C1 1406610813 QTBKPEQLVPFUNY-WYUUTHIRSA-N 306.366 -0.222 30 20 DBED C[C@H](C#N)C(=O)NCCN(C)C(=O)[C@@H](NC(N)=O)C(C)(C)C 1408673735 GAVRLRSSHIVWFT-NXEZZACHSA-N 311.386 -0.196 30 20 DBED Cn1c(=O)[nH]c(NC[C@@H](CO)Cc2cccnc2)c(C#N)c1=O 1413888736 ONYQKVKZXIGHCK-NSHDSACASA-N 315.333 -0.397 30 20 DBED Cc1ccc(C(=O)NC[C@@H](O)CNC(=O)[C@H](C)C#N)c(O)n1 1416782025 MGULLPVBFHEMMC-SCZZXKLOSA-N 306.322 -0.538 30 20 DBED CCC1(NC(=O)Cn2cc(C#N)c(O)nc2=O)CCOCC1 1417680900 DJDWWCFLHKBJSS-UHFFFAOYSA-N 306.322 -0.104 30 20 DBED C[C@H]1CN(C)[C@H](C)CN1C(=O)CCn1cc(C#N)c(O)nc1=O 1417684304 ZEZUAWMCVSFUOT-MNOVXSKESA-N 319.365 -0.238 30 20 DBED CC[C@@H](CNC(=O)[C@@H]1CCC(=O)N1)NC(=O)c1c[nH]c(C#N)c1 1432766583 VSRGOETWVADSSS-JQWIXIFHSA-N 317.349 -0.210 30 20 DBED Cc1noc(CN2CCN(CCNC(=O)[C@@H](C)C#N)CC2)n1 1436697338 AUKHLHOXCSMENP-NSHDSACASA-N 306.370 -0.229 30 20 DBED CC(C)c1nnnn1CC(=O)N(C)CCN(C)C(=O)[C@@H](C)C#N 1457798922 UAIWPTYUZAGGCE-NSHDSACASA-N 321.385 -0.127 30 20 DBED CCC(=O)NCC(=O)N1CC[C@H]1CNC(=O)c1cc(C#N)c[nH]1 1458682704 YQEVJSXGEROUPN-NSHDSACASA-N 317.349 -0.257 30 20 DBED C=C(Cl)CNC[C@@H](O)CN(C)C(=O)c1nnc(O)nc1O 1486288482 UBHNKBLSNFYOOL-SSDOTTSWSA-N 317.733 -0.942 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2ccnnc2C)C1 1490832093 WFZIBQCHODZCDG-LBPRGKRZSA-N 301.350 -0.661 30 20 DBED C[C@H](C#N)C(=O)NCC1CCN(C(=O)Cn2cncn2)CC1 1523292033 WNDLXIPKUGQXKL-LLVKDONJSA-N 304.354 -0.207 30 20 DBED C[C@H](C#N)C(=O)NCCN(C)C(=O)c1ccc(C(N)=O)nc1 1528596707 MACFJWADOXXSLM-SECBINFHSA-N 303.322 -0.472 30 20 DBED C[C@H](CNC(=O)c1cc(C(N)=O)ccn1)CNC(=O)[C@H](C)C#N 1532298746 OXMUQLRXWPXYFV-VHSXEESVSA-N 317.349 -0.178 30 20 DBED CN1C(=O)CCC[C@@H]1C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[nH]1 1570918330 CNDHCIPYGJQVCN-SSDOTTSWSA-N 315.297 -0.589 30 20 DBED N#Cc1cn(CCC(=O)N[C@H](CC2CC2)C(=O)O)c(=O)nc1O 1574248110 CNXRBHCAQISPAW-SNVBAGLBSA-N 320.305 -0.420 30 20 DBED C[C@H](CC#N)NCCS(=O)(=O)c1ccc(-c2nn[nH]n2)cn1 1574470502 CLMNRPVUAWMUJN-SECBINFHSA-N 321.366 -0.073 30 20 DBED O=C(C#CC1CC1)NCCOCCCNCCc1cnn[nH]1 1577745322 CYENOUKESQYOJE-UHFFFAOYSA-N 305.382 -0.127 30 20 DBED C#CCN(C)C[C@@H](O)CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 1588349065 AUBMOSKEDSGYAP-SNVBAGLBSA-N 317.353 -0.807 30 20 DBED CC#CC[C@@H](CO)NS(=O)(=O)c1ccc(-c2nn[nH]n2)o1 1588737112 AQSGSGJXYZRORX-QMMMGPOBSA-N 311.323 -0.488 30 20 DBED CC(C)(C)OC(=O)N[C@H](CO)C(=O)N(CC#N)CC(=O)O 1590274945 UWJSOHHERRUIDA-MRVPVSSYSA-N 301.299 -0.691 30 20 DBED COC(=O)c1occc1Cn1c(N)nc(-c2nn[nH]n2)c1C#N 1591308650 QAFFBYWVBMHNCW-UHFFFAOYSA-N 314.265 -0.055 30 20 DBED COC[C@@](C)(C#N)NC(=O)CNc1ccc(-c2nn[nH]n2)cn1 1591367733 LCEQGDWRNUVUFG-CYBMUJFWSA-N 316.325 -0.282 30 20 DBED Cc1nc(C#N)c(-c2nn[nH]n2)n1CC(=O)N1CCO[C@H](C)C1 1592340582 JAGZTEJAMDHVGO-MRVPVSSYSA-N 316.325 -0.509 30 20 DBED O=C(N[C@H]1CCCN(O)C1=O)c1ccc(-c2nn[nH]n2)nc1 1592980990 RDTLBJREVTXNKF-VIFPVBQESA-N 303.282 -0.628 30 20 DBED N#Cc1ccc(S(=O)(=O)N2C[C@H]3COC[C@@]3(C(=O)O)C2)o1 1594625348 NFNNJPJCDJKIRL-UFBFGSQYSA-N 312.303 -0.127 30 20 DBED CNC(=O)Cc1noc(CN2CCC(C#N)(C(=O)O)CC2)n1 1598648219 GFBGZRHGURDEIJ-UHFFFAOYSA-N 307.310 -0.452 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N(CC(=O)O)C1CCOCC1 1603130403 VLPAWAXWBNTDOJ-SNVBAGLBSA-N 319.383 -0.112 30 20 DBED N#Cc1nc(NC(=O)c2ccnc(CO)c2)[nH]c1-c1nn[nH]n1 1606355413 AOBDEUMAALIOLF-UHFFFAOYSA-N 311.265 -0.399 30 20 DBED Cn1cc(C#N)c(=O)n(CC(=O)c2ccc(C(=O)O)cc2)c1=O 1608093409 FPZVWDFFPWFKAR-UHFFFAOYSA-N 313.269 0.000 30 20 DBED C#CC[C@H](NC(=O)[C@@H](C(C)C)N1CCCS1(=O)=O)C(=O)O 1609076545 PRBSVQNJAOXBCR-WDEREUQCSA-N 316.379 -0.361 30 20 DBED CC(C)[C@](C)(C#N)NC(=O)Cn1cnc(-c2nn[nH]n2)cc1=O 1609086446 HGZYTQKVLAAJMN-ZDUSSCGKSA-N 316.325 -0.522 30 20 DBED N#C[C@H]1CN(S(=O)(=O)N2CCCN3CCC[C@@H]3C2)CCO1 1647177106 BUHYPPLKAFDITJ-OLZOCXBDSA-N 314.411 -0.374 30 20 DBED CCOc1cc(C(=O)N2CC[C@H](NCC(=O)NCC#N)C2)[nH]n1 1661320927 BGGPOUFXQIVXPI-JTQLQIEISA-N 320.353 -0.748 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@H]1CCCN(CCOCCO)C1 1690037612 ICVQDMDGYKZRFR-ZFWWWQNUSA-N 300.399 -0.097 30 20 DBED CC#CCCCC(=O)N[C@@H]1CCN(CCNS(C)(=O)=O)C1 1732154786 QJYISICSEIGBGK-CYBMUJFWSA-N 315.439 -0.080 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1C[C@@H](NC(=O)[C@]2(C)CCC(=O)N2)C1 1752764874 CHZFVWGUTSOXTN-OVZMXSCWSA-N 320.393 -0.970 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)[C@H](C)CC(N)=O)[C@H]2C1 1752845111 QEQQOHASUBRSFG-MOWSAHLDSA-N 322.409 -0.765 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)Cc2cnn(CC)c2)C1 1752927575 YDMJQLNIEPEDII-AWEZNQCLSA-N 317.393 -0.615 30 20 DBED C#CCNC(=O)CNC[C@H]1CCN(C(=O)C2(COC)CCC2)C1 1752946190 LMWKCWXDNGWKQF-CQSZACIVSA-N 321.421 -0.009 30 20 DBED C=CCN(CC=C)C(=O)CN1CC(NC(=O)c2cnn(C)n2)C1 1753389680 OEJMLEBTLGGJAL-UHFFFAOYSA-N 318.381 -0.570 30 20 DBED CCn1ncc(C(=O)N(C)[C@H]2CCN(CC(=O)NCC#N)C2)n1 1753434661 GNZCNECGMUNGLZ-NSHDSACASA-N 319.369 -0.916 30 20 DBED C#CCNC(=O)[C@@H](C)NC1(CNC(=O)c2nc(C)c[nH]2)CC1 1754528610 OCYDSUHXTMUNLC-LLVKDONJSA-N 303.366 -0.292 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC(N(C)C(=O)[C@H]2CCCCO2)C1 1754573705 VFZCNKYPPPFLGX-TZMCWYRMSA-N 307.394 -0.164 30 20 DBED CC#CCN1CC(O)(CNC(=O)c2cn(C(C)(C)C)nn2)C1 1754768426 MLDPAIHJEJUFFP-UHFFFAOYSA-N 305.382 -0.167 30 20 DBED C[C@H](NCC(=O)NCC#N)[C@@H]1CCN(C(=O)Cc2cnc[nH]2)C1 1754799419 MQRAKWQFMGEAPM-NWDGAFQWSA-N 318.381 -0.581 30 20 DBED Cc1cnn(C)c1C(=O)N1C[C@H](C)[C@H](NCC(=O)NCC#N)C1 1755113194 FHJMXADVLQDOBB-NWDGAFQWSA-N 318.381 -0.582 30 20 DBED C[C@H]1C[C@H](NC(=O)c2ncc[nH]2)CCN1CC(=O)NCC#N 1755159832 KBEOZCIGKUGROM-WDEREUQCSA-N 304.354 -0.368 30 20 DBED Cc1noc(C)c1C(=O)NC[C@@H](C)N(C)CC(=O)NCC#N 1755290849 MVNORBKPZDXJCM-SECBINFHSA-N 307.354 -0.019 30 20 DBED C=CCN1C[C@H]2[C@H](CNC(=O)CN3CCC(=O)NC3=O)[C@H]2C1 1755433595 HIYVLGWYZAYZRO-CNDDSTCGSA-N 306.366 -0.592 30 20 DBED CC(C)C(=O)N1CCCC[C@H]1C(=O)NC[C@H](CO)NCC#N 1755647576 MSSIKJVWTWRTRP-OLZOCXBDSA-N 310.398 -0.386 30 20 DBED C#CCN1CC[C@]2(NC(=O)CCNC(=O)COC)CCC[C@H]12 1755702720 RKVSNCPGXYTSKI-XJKSGUPXSA-N 307.394 -0.115 30 20 DBED C#CCNC(=O)CNC[C@H]1CC[C@@H](NC(=O)c2n[nH]cc2F)C1 1755743958 PXLQEVQISRYIKV-WDEREUQCSA-N 321.356 -0.214 30 20 DBED Cn1cnnc1COCC(=O)N[C@@H]1CC[C@H](CNCC#N)C1 1755747972 YMELVIOYRSUYJB-NWDGAFQWSA-N 306.370 -0.270 30 20 DBED C=CCOCC(=O)NCC1[C@@H]2CN(C(=O)CN(C)C(C)=O)C[C@@H]12 1756195583 WUTDTGDRESACRL-KBPBESRZSA-N 323.393 -0.512 30 20 DBED Cn1nnc(C(=O)NCC2(CCNC(=O)C#CC3CC3)CC2)n1 1756900168 WIRDYRGOIMHRDY-UHFFFAOYSA-N 316.365 -0.360 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1(CCNC(=O)C(N)=O)CC1 1756900633 BTYHTIOSZZQDTK-RYUDHWBXSA-N 323.393 -0.144 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)COCCC)C[C@@H]1O 1757161780 LKGYGRKDEBXTLO-NEPJUHHUSA-N 300.355 -0.697 30 20 DBED COC[C@@]1(CO)CCN(S(=O)(=O)c2ccc(C#N)nc2)C1 1771772670 MAZABQHPNQUSEM-ZDUSSCGKSA-N 311.363 -0.027 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)COCCOC)CCO2 1783049504 BJRFSMYAGVSIDR-HNNXBMFYSA-N 310.350 -0.888 30 20 DBED C#CC(=O)N[C@@H]1CCc2nc(NC(=O)[C@H](C)NC=O)sc2C1 1822902579 IIYJELYUZQLMDR-DTWKUNHWSA-N 320.374 -0.177 30 20 DBED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)O)CCO2 1840029620 LNUWHXPCZWQELA-CJNGLKHVSA-N 324.377 -0.763 30 20 DBED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C13CC(C1)C3)CCO2 1840600502 KAADLJPNWXHCIC-QWFMPGPPSA-N 318.373 -0.124 30 20 DBED Cn1cc(C#N)c(=O)n(CC(=O)NC(=O)NC2CCCC2)c1=O 11459144 XTAHCWFUWYMMAM-UHFFFAOYSA-N 319.321 -0.813 30 20 DBED COC(=O)CNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 44875915 MNWGDIVRKUOPIB-UHFFFAOYSA-N 310.331 -0.238 30 20 DBED COC[C@H](C)N/C(N)=N/Cc1ccc(OCC(N)=O)c(OC)c1 264136243 ZSMKSLYVRNEJIF-JTQLQIEISA-N 324.381 -0.002 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCC2(OC)CCC2)C1=O 272643014 FXPOEQCNOLPVOC-UHFFFAOYSA-N 309.322 -0.352 30 20 DBED C=CCNC(=O)CS(=O)(=O)c1nc2nc(C)cc(C)n2n1 278554018 LRSFKMQPIOFHTR-UHFFFAOYSA-N 309.351 -0.183 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)CCC(=O)N2CCOCC2)C1=O 281830420 WITDXKAGPKSDOQ-CYBMUJFWSA-N 323.393 -0.129 30 20 DBED N#Cc1cc(N2CCN(CC(N)=O)CC2)cc(N)c1[N+](=O)[O-] 283770199 OOGVCDBQFUOOOL-UHFFFAOYSA-N 304.310 -0.344 30 20 DBED C=C[C@H](CO)NC(=O)N[C@@H]1CCCN(c2nccn(C)c2=O)C1 291599918 QNDWZMYCZKONGW-VXGBXAGGSA-N 321.381 -0.405 30 20 DBED C=CC[C@@H](CO)NC(=O)[C@@H]1[C@H](C)[C@H]1C(=O)N[C@@H](CO)CC=C 295054493 BQXURGGDPCSRJE-RKQHYHRCSA-N 310.394 -0.025 30 20 DBED CCNS(=O)(=O)CCNS(=O)(=O)c1cncc(C#N)c1 312302394 AAHDEGSFACPQAL-UHFFFAOYSA-N 318.380 -0.829 30 20 DBED N#CCC(=O)N1CCN(C(=O)[C@@H]2CCCCS2(=O)=O)CC1 329165995 HLBNSJGUZMXZDU-NSHDSACASA-N 313.379 -0.462 30 20 DBED CN(C)c1nccc(C/N=C(/O)N2CCN3C(O)=NC[C@H]3C2)n1 329311438 ZTDWYVIBUPRBMO-NSHDSACASA-N 319.369 -0.130 30 20 DBED O/C(=N/CCn1cncn1)N1CCC[C@H]1CN1CCOCC1 329810555 QUDNVJFFKHIQJV-ZDUSSCGKSA-N 308.386 -0.011 30 20 DBED COC(=O)[C@@H]1CN(C(=O)CNc2ccc(C#N)cn2)C[C@@H](C)O1 338370079 DOYLEAGVULLRBS-PWSUYJOCSA-N 318.333 0.154 30 20 DBED C[C@@H]1C(=O)N(C)CCN1C(=O)C(=O)Nc1ccc(C#N)cn1 340316378 FCOAWADKQHWUGI-SECBINFHSA-N 301.306 -0.419 30 20 DBED CC(=O)NCCNC(=O)CCC(=O)N1CCSC[C@@H]1C#N 342216772 LRSGYJIMHYLDBZ-NSHDSACASA-N 312.395 -0.514 30 20 DBED COC[C@](C)(NS(=O)(=O)c1cncc(C#N)c1)C(=O)OC 352068855 TTZUHYLKSIXJRD-LBPRGKRZSA-N 313.335 -0.190 30 20 DBED N#CCCn1ccc(NC(=O)C(=O)N[C@@H](CO)C2CCCC2)n1 354897848 ZOKIXLSNGWNKBT-LBPRGKRZSA-N 319.365 0.403 30 20 DBED C=C[C@](C)(O)CC(=O)NCCNS(=O)(=O)c1cccnc1 355152620 ALBIQTPXYIXXSY-ZDUSSCGKSA-N 313.379 -0.197 30 20 DBED CN1CCC([C@H]2CCN(C(=O)NCC(=O)NCC#N)C2)CC1 368585782 TWJWLNBDPPUJTL-ZDUSSCGKSA-N 307.398 -0.001 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N1CCC[C@@H](N2CCNC2=O)C1 368804872 JLNOAAKYFFLLOV-VXGBXAGGSA-N 323.397 -0.124 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 374418505 XPIIHXXOOQOLCH-JHJVBQTASA-N 316.427 -0.225 30 20 DBED C=CCNC(=O)NC(=O)CN1CCCC[C@@H](S(C)(=O)=O)C1 444791276 KPLMLPUTSOSHRB-LLVKDONJSA-N 317.411 -0.103 30 20 DBED CN1C(=O)CO[C@@H](C(=O)N[C@H](C#N)C2CC2)[C@@H]1c1cnn(C)c1 471092595 LZRDZCJGUZMCNA-KWCYVHTRSA-N 317.349 -0.263 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)CCOCC(C)C)CC1 491165838 NLHZMICRVAJZAS-UHFFFAOYSA-N 309.410 -0.057 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)C[C@@H]2CCCC[C@H]2O)CC1 491387945 ZNZFNRXKTLVDIG-LSDHHAIUSA-N 321.421 -0.179 30 20 DBED CNC(=O)[C@@H]1CN(C[C@@H](O)COc2ccccc2C#N)CCO1 528443139 ORSPPEDNAMGXCE-HIFRSBDPSA-N 319.361 -0.255 30 20 DBED COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)[C@H](C)n2cnc(C#N)n2)C1 592934621 YXORXTMHXUPGFJ-IVZWLZJFSA-N 307.310 -0.907 30 20 DBED CC1CCC(O)(CNS(=O)(=O)N2CCO[C@H](C#N)C2)CC1 595409638 FDXFLYVBRBCINP-OTTFEQOBSA-N 317.411 -0.014 30 20 DBED CCN(CCC#N)S(=O)(=O)N[C@@H]1CCS(=O)(=O)[C@@H]1C 599457738 MLCQEWXEGDDOQX-NXEZZACHSA-N 309.413 -0.368 30 20 DBED COc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H]1COCCN1 599899482 LIZBVQXBSFKNMO-NSHDSACASA-N 318.333 -0.390 30 20 DBED C[C@H]1CN(C(=O)C(=O)N2CCN(CCC#N)CC2)CCCO1 601448662 MFNZLYBCWHQJAK-ZDUSSCGKSA-N 308.382 -0.318 30 20 DBED C[C@H]1CCN(C(=O)C(=O)N2CCN(CCC#N)CC2)[C@@H]1CO 601461330 AZPWEWADDUMBAC-QWHCGFSZSA-N 308.382 -0.726 30 20 DBED CN1CCN(C[C@@H](O)COc2ccc(C#N)cc2)[C@@H](CO)C1 602904065 LBEVLJDAEDXRLG-HUUCEWRRSA-N 305.378 -0.094 30 20 DBED CN1CCN(CCS(=O)(=O)c2ccc(C#N)cn2)[C@H](CO)C1 602905482 OHEVAINARFBYOV-ZDUSSCGKSA-N 324.406 -0.665 30 20 DBED Cc1c(C#N)c(=O)n(Cc2nc(C3CC3)nn2C)c(=O)n1C 603356102 BRYRXDHSTFXIAQ-UHFFFAOYSA-N 300.322 -0.219 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCNCC2(C)C)C1=O 644131432 AHUNZXXWRWRBJG-JTQLQIEISA-N 322.365 -0.533 30 20 DBED CC#CC[C@@H](CO)NC(=O)N[C@H]1CCc2nc(COC)nn2C1 645361910 VHQCIMJGLXGDFQ-RYUDHWBXSA-N 321.381 -0.187 30 20 DBED C=CCOC[C@H](NC(=O)NCc1nnnn1C1CC1)C(=O)O 684740567 IUEMUWAUHLMKHV-VIFPVBQESA-N 310.314 -0.537 30 20 DBED C#CCC[C@@H](O)CNC(=O)C1CCN(S(C)(=O)=O)CC1 717944309 TZCWSSHYDSRKHY-GFCCVEGCSA-N 302.396 -0.452 30 20 DBED C#CCN1CCN(C(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)CC1 733162084 FWLOPCMOJBLGGE-UHFFFAOYSA-N 312.329 -0.393 30 20 DBED CN(CC(=O)NCC(=O)O)S(=O)(=O)c1ccc(C#N)cc1 739624187 MENMYPYPFCPQGM-UHFFFAOYSA-N 311.319 -0.620 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCCN1S(C)(=O)=O 753145642 GQHWUXDQXYNJMN-OLZOCXBDSA-N 313.423 -0.376 30 20 DBED COc1cc(S(=O)(=O)NCC(=O)NCC#N)cnc1Cl 796218640 WILPRGKMCXZISP-UHFFFAOYSA-N 318.742 -0.338 30 20 DBED C#CCC[C@@H](O)CNC(=O)Cc1c(C)nc2nc(N)nn2c1C 799199639 AAQLTLPNZBKGHG-LLVKDONJSA-N 316.365 -0.244 30 20 DBED C=CCN(CC(=O)OCC)C(=O)Cn1cnc(-c2nn[nH]n2)n1 819740356 YGXUSEGXNVZCDF-UHFFFAOYSA-N 320.313 -0.964 30 20 DBED C=CCNC(=O)CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] 823919513 JNFIHTLLNHTBDJ-UHFFFAOYSA-N 304.270 -0.116 30 20 DBED CC#CC[C@@H](CO)NC(=O)c1ccc(F)c(S(N)(=O)=O)c1 844117525 DVSXTYZUIAQKDG-JTQLQIEISA-N 314.338 -0.023 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC(NS(=O)(=O)NC)CC1 846055676 IJPWUBMXOKOWAR-JTQLQIEISA-N 303.384 -0.931 30 20 DBED C#CCNC(=O)CN1CCN(CCCC(=O)NCC(C)C)CC1 851750206 AJZMIUANEFTFMB-UHFFFAOYSA-N 322.453 -0.094 30 20 DBED CCS(=O)(=O)CCNC(=O)N1CCN(CCC#N)CC1 868219294 CSADXIHAHPESBH-UHFFFAOYSA-N 302.400 -0.338 30 20 DBED C#CCN1CCN(C(=O)CN2[C@@H](C)[C@H](C)N(C)C(=O)[C@H]2C)CC1 878753405 YSXCFHRZWSMJPM-SOUVJXGZSA-N 320.437 -0.297 30 20 DBED N#C[C@H]1CSCCN1C(=O)CN1CCCCS1(=O)=O 879381353 AFFWWTFIBSHMMQ-JTQLQIEISA-N 303.409 -0.120 30 20 DBED C#Cc1cc(F)c(NC(=O)C(=O)N[C@H]2C[C@H](O)[C@H](O)C2)c(F)c1 891652693 BLLUCVMCKRFBIN-VTYGSRLXSA-N 324.283 -0.115 30 20 DBED N#Cc1ccc(NCCNC(=O)NCC(=O)NC2CC2)nc1 916193878 PTHUQBJNVXGVRT-UHFFFAOYSA-N 302.338 -0.057 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](NC(=O)c2ccc(C(N)=O)nc2)C1 941310197 XTNTYWXWWAPJSN-GXSJLCMTSA-N 315.333 -0.329 30 20 DBED CN(C(=O)Cn1cnc(C(N)=O)n1)[C@@H]1CCCN(CC#N)CC1 948381195 HMORZDDSZFHUCF-LLVKDONJSA-N 319.369 -0.787 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CNC(=O)[C@@H]2CCC(=O)N2)CC1 949394231 NMTOXCPACBYNDI-JQWIXIFHSA-N 306.366 -0.221 30 20 DBED CN(C(=O)[C@H]1CCNC(=O)CC1)C1CN(C(=O)C#CC2CC2)C1 954852630 IREHJBMHJXQPBG-CYBMUJFWSA-N 317.389 -0.015 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@](C)(NC(=O)c2ccc(=O)n(C)n2)C1 957649210 XQLNGTJDJQKZAC-BONVTDFDSA-N 317.349 -0.339 30 20 DBED COc1cnc(C(=O)NC[C@H]2CN(CC#N)C[C@H]2O)c(F)c1 958127513 ZJLYMYKSSYZUAG-JOYOIKCWSA-N 308.313 -0.225 30 20 DBED C#CCCN1C[C@H](CNC(=O)c2cnc3n2CCOC3)[C@@H](O)C1 958151559 JZEYIZCXMZQWMS-JSGCOSHPSA-N 318.377 -0.541 30 20 DBED C#CCCN1C[C@@H](O)[C@H](CNC(=O)c2cc(=O)c(OC)c[nH]2)C1 958264921 ZJFOHJWDUGKTPU-BXUZGUMPSA-N 319.361 -0.571 30 20 DBED Cn1nc(C(=O)NC[C@H]2CN(CC#N)C[C@H]2O)c2c1CCCC2 958407938 BFEWGHKBNFMHRO-SMDDNHRTSA-N 317.393 -0.155 30 20 DBED C=CCCn1cc(C(=O)NC[C@H]2CN(CC#CC)C[C@H]2O)nn1 958468161 SOQXMWHUPBVJHZ-DZGCQCFKSA-N 317.393 -0.100 30 20 DBED C#CCOc1ccc(C(=O)NC2[C@@H]3CN(CC(N)=O)C[C@@H]23)cc1 961994149 ODUAZNMILLXREM-ZIAGYGMSSA-N 313.357 -0.156 30 20 DBED C=CCCn1cc(C(=O)N2C[C@H]3CC[C@H]2CN3CC(N)=O)nn1 971907442 KPJSDJZKXJMAFW-NEPJUHHUSA-N 318.381 -0.372 30 20 DBED COc1cncc(C(=O)N2CC[C@@]3(CN(CC#N)CCO3)C2)n1 972583407 SUAUTHZUIUXGEN-OAHLLOKOSA-N 317.349 -0.074 30 20 DBED C#CCCN1CCO[C@@]2(CCN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 972647819 UVQZCROGDYUKHM-BBRMVZONSA-N 305.378 -0.408 30 20 DBED N#Cc1ccc(C(=O)NC2CN(C(=O)CN3CCCC3)C2)[nH]1 990893317 SBAOZQNFVMYWDR-UHFFFAOYSA-N 301.350 -0.077 30 20 DBED O=C(N[C@H]1CCN(C(=O)C#CC2CC2)C[C@H]1O)C1CCOCC1 991177830 ABPPJLNKVDROME-LSDHHAIUSA-N 320.389 -0.096 30 20 DBED Cc1nonc1C(=O)N[C@@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1O 991570748 KMQPDCZJZOMNTK-NEPJUHHUSA-N 318.333 -0.517 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)C[C@H]2CCNC2=O)C1 993460511 UMRUIMNBTLQVFG-RTXFEEFZSA-N 321.377 -0.569 30 20 DBED Cc1ccc(=O)n(CC(=O)NC2CN(C(=O)C#CC3CC3)C2)n1 997202777 KLUHVSVOZRWZIA-UHFFFAOYSA-N 314.345 -0.708 30 20 DBED C[C@@H](C#N)C(=O)N1CC(CNC(=O)c2cn(C)c(=O)n2C)C1 1002642079 JGOSFJJVWIBREW-VIFPVBQESA-N 305.338 -0.928 30 20 DBED C[C@H](NC(=O)c1cnc(O)n1C)C1CN(C(=O)[C@H](C)C#N)C1 1006554201 AWGSRYXVWPDRSN-BDAKNGLRSA-N 305.338 -0.138 30 20 DBED N#Cc1cc(C(=O)N2CCN(C(=O)[C@@H]3COCCO3)CC2)c[nH]1 1010410162 DAGGCTNMOZZKKL-ZDUSSCGKSA-N 318.333 -0.414 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CC(NC(=O)C(N)=O)C1 1016573587 SHXGSJAOSUHCSO-HCWSGVFWSA-N 309.366 -0.442 30 20 DBED N#CCN1CC[C@@H]2[C@H](CCCN2C(=O)c2nnc(O)nc2O)C1 1021623432 OGONMXRPLQFWRS-NXEZZACHSA-N 318.337 -0.267 30 20 DBED C#CCOc1ncccc1C(=O)N[C@H]1C[C@@H](N[C@@H](C)C(N)=O)C1 1022991127 YVGROJDGGVKQDQ-SDDRHHMPSA-N 316.361 -0.182 30 20 DBED Cc1nc(C)c(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2O)o1 1023284762 LTTDRWYVYDQXTM-AVPPRXQKSA-N 306.322 -0.247 30 20 DBED N#Cc1ccc(C(=O)N2C[C@@H]3CC[C@@H](NCC(N)=O)[C@H]3C2)[nH]1 1026243044 VLKNUIDTIQPECI-ZMLRMANQSA-N 301.350 -0.188 30 20 DBED Cc1nn(CC(=O)N2CCC[C@@H](N(C)CC#N)C2)c(=O)n1C 1027667957 ZONWDCWHVITJAX-GFCCVEGCSA-N 306.370 -0.663 30 20 DBED C=CCCN1CC(NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 1030765444 DOWPDDBNVYNTQX-UHFFFAOYSA-N 302.342 -0.316 30 20 DBED C#Cc1cncc(C(=O)NC[C@@H]2CN(C[C@@H](C)O)CCO2)c1 1035504177 CLIKRGLAOOOLAP-IUODEOHRSA-N 303.362 -0.126 30 20 DBED C#CCN1CC[C@H]2CN(C(=O)CN3C(=O)CCC3=O)CC[C@H]21 1036890125 NLCTUXJXUBDWRP-QWHCGFSZSA-N 303.362 -0.309 30 20 DBED C=CCn1cc(C(=O)N[C@H]2[C@H]3C[C@H]2N(CC(=O)N(C)C)C3)nn1 1037613637 OHUHNNAPSUWZNA-SUHUHFCYSA-N 318.381 -0.645 30 20 DBED CC[C@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)CC[C@H]1NCC#N 1037845194 NKXJHBSXZXERIH-WDEREUQCSA-N 319.369 -0.883 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)c2cncn2C)C1 1040235269 QQVJWGFMRBLVIE-QMTHXVAHSA-N 305.338 -0.727 30 20 DBED C=CCO[C@H](C)C(=O)N1CC[C@@](O)(CNC(=O)c2cnn[nH]2)C1 1040268713 KCYSAPBFQYUHFQ-QMTHXVAHSA-N 323.353 -0.911 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC[C@](O)(CNC(=O)c2nc[nH]n2)C1 1040550337 JXFOJGMJXBFRJA-HZMBPMFUSA-N 323.353 -0.911 30 20 DBED C=CCCC1(C(=O)NC[C@]2(O)CCN(C(=O)C(N)=O)C2)CC1 1040813574 RXIVFTRLXODOOS-OAHLLOKOSA-N 309.366 -0.702 30 20 DBED C#CCCCC(=O)N1CC[C@@](O)(CNC(=O)c2ccnnc2)C1 1041020293 XWCPOQUHEYQEGI-MRXNPFEDSA-N 316.361 -0.027 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)c2ccnc(F)c2)C1 1041889383 MSGIKPBCZMXAOX-SECBINFHSA-N 306.297 -0.317 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2ocnc2C)C1 1042368865 SSAZKIZWYUQHAU-NSHDSACASA-N 323.349 -0.123 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(O)CN(C(=O)[C@@H]2CC2(F)F)C1 1042807231 QHEBZCBMYFQVRO-JOYOIKCWSA-N 318.320 -0.342 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)[C@H](C(C)C)N(C)C)C1 1043473888 ZGRYKBQZGQRBDH-HNNXBMFYSA-N 323.437 -0.079 30 20 DBED CN(C(=O)[C@H]1COCCN1CC(F)F)C1CN(CC#N)C1 1043474737 UHXZTUTZLIHTFT-LLVKDONJSA-N 302.325 -0.382 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)[C@@H]2CCO[C@H]2C)C1 1045293988 UGKUYGZJFBJINZ-QWHCGFSZSA-N 308.378 -0.240 30 20 DBED CC(C)[C@H](C(=O)N1CC(O)(CNC(=O)[C@@H](C)C#N)C1)N(C)C 1045545710 AUEIXIGJANHPTM-NWDGAFQWSA-N 310.398 -0.578 30 20 DBED C=CCN1[C@H]2CC[C@H]1CN(C(=O)Cn1cnc(C(N)=O)n1)CC2 1045780968 OFLWWCOJCUFWKO-RYUDHWBXSA-N 318.381 -0.372 30 20 DBED C=CCN1CC[C@H](N2CCN(C(=O)[C@@H]3CC(=O)N(C)C3)CC2)C1 1046033761 KGXDJEFXQOUXNV-CABCVRRESA-N 320.437 -0.131 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CN(C)C[C@H]2C)C1 1046684993 OEMDPJLQJCNCEA-ZIAGYGMSSA-N 321.421 -0.323 30 20 DBED CN(C(=O)[C@H]1CCn2cncc2C1)[C@H]1CN(CC#N)C[C@@H]1O 1047433000 ROMXAXXMTZMZQJ-UBHSHLNASA-N 303.366 -0.527 30 20 DBED CN(C(=O)c1nc[nH]c2nccc1-2)[C@H]1CN(CC#N)C[C@@H]1O 1047445286 RIUSAKCFLBSXPF-QWRGUYRKSA-N 300.322 -0.450 30 20 DBED C[C@@H]1CCCN(C(=O)C(N)=O)[C@@H]1CCN=c1cc[nH]c(C#N)n1 1047739349 MYGHGHITBNKLFY-GHMZBOCLSA-N 316.365 -0.315 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cn2cccn2)C1 1048232126 VZXNQWYFJIEKDF-STQMWFEESA-N 306.366 -0.121 30 20 DBED Cc1nn[nH]c1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C#CC(C)C)C1 1048806703 GMSMYKQVXUMAIJ-RYUDHWBXSA-N 319.365 -0.584 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2ccn(C)n2)C1 1048874273 VLJUINCKQIHRPP-KBPBESRZSA-N 318.377 -0.277 30 20 DBED C=C(C)CCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(C)n2)C1 1049081548 IGMKLLDUAFPFKN-STQMWFEESA-N 321.381 -0.185 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)CNC(N)=O)C[C@@H]1C 1051935737 RRAVGYQAGFXXLA-RYUDHWBXSA-N 308.382 -0.475 30 20 DBED C#CCN1CCN([C@H]2CCN(C(=O)Cc3ccnn3C)C2)CC1 1052018448 KKUZUJNOUWMZSD-INIZCTEOSA-N 315.421 -0.186 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCOC2(CN(CCO)C2)C1 1053470046 XDPVEXNDXCQHKN-KBPBESRZSA-N 310.394 -0.127 30 20 DBED C=CCN1CC2(CC[C@H](CNC(=O)c3cc(=O)n(C)cn3)O2)C1 1053614395 VWMYDQSMEIGWHM-GFCCVEGCSA-N 318.377 -0.071 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)c3ccnc4ccnn34)CO2)C1 1053827963 LMKGVUFVEMELEK-LLVKDONJSA-N 312.333 -0.174 30 20 DBED C[C@@]1(C(=O)N[C@H]2COC3(C2)CN(CC#N)C3)CCC(=O)NC1 1053903654 WGZBUBMONJOABU-BXUZGUMPSA-N 306.366 -0.614 30 20 DBED CC(C)n1cc(C(=O)N[C@@H]2COC3(C2)CN(CC#N)C3)nn1 1053969658 TZBYUVYFJXEULW-NSHDSACASA-N 304.354 -0.044 30 20 DBED C=CCOCC(=O)NCCN(Cc1ccccc1)C(=O)C(N)=O 1055096098 IWALGBAYZUUGAA-UHFFFAOYSA-N 319.361 -0.181 30 20 DBED C=C1CC(C)(C(=O)NC2CCN(CCNC(=O)C(N)=O)CC2)C1 1055628870 JQEGDQNSYWBCTJ-UHFFFAOYSA-N 322.409 -0.475 30 20 DBED C[C@H](C(=O)NC1[C@@H]2CN(c3nccnc3C#N)C[C@@H]12)n1cncn1 1056168275 JGKRHRSLCAFHMD-GMTAPVOTSA-N 324.348 -0.248 30 20 DBED N#Cc1cnccc1N1C[C@@H]2C(NC(=O)Cn3ncnn3)[C@H]2C1 1056311284 YSCNQVHQENGJQU-QWRGUYRKSA-N 310.321 -0.809 30 20 DBED C#CCOCCC(=O)N1CC[C@@H]2[C@H]1CCCN2C(=O)CC(N)=O 1056323484 FSERTXVABNKADQ-CHWSQXEVSA-N 321.377 -0.506 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)[C@@H]1C[C@H]1OCC 1057193215 BIMICHASFGLRPJ-CHWSQXEVSA-N 314.382 -0.449 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)[C@@H]1CCCCO1 1057351034 MZBXLPJNKXQMCA-ZDUSSCGKSA-N 314.382 -0.305 30 20 DBED C[C@H](C(=O)N(CCO)CCNC(=O)C#CC1CC1)n1cncn1 1057382455 FKJPLMJMTANYDO-GFCCVEGCSA-N 319.365 -0.810 30 20 DBED C#CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)c1ocnc1C 1057583210 KBELNYIYGHJQPY-LBPRGKRZSA-N 323.349 -0.428 30 20 DBED Cc1cc(C(=O)N(CCO)CCNC(=O)[C@H](C)C#N)nc(C)n1 1058092663 XACCIISNTUQERH-SNVBAGLBSA-N 319.365 -0.196 30 20 DBED C=C[C@@H](C)[C@H](C)C(=O)NCCN(CCO)C(=O)c1cnn(C)n1 1058095489 IUSSVZWIPXQFNJ-NEPJUHHUSA-N 323.397 -0.176 30 20 DBED CO[C@@H](C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N)C1CCC1 1058184716 ZGGDCJGCJRXEFH-WCQYABFASA-N 311.382 -0.102 30 20 DBED COc1ccnc(C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N)c1 1058279869 PWBHENOMTHIBKO-NSHDSACASA-N 320.349 -0.199 30 20 DBED C[C@H](C(=O)N[C@H]1CCN(c2ccnc(C#N)n2)C1)n1cncn1 1058318784 GFXJUBNDYCCIJD-MNOVXSKESA-N 312.337 -0.104 30 20 DBED CCn1ncc(C(=O)N[C@H]2CCN(c3ccc(C#N)nn3)C2)n1 1058353432 GIMZBHOIYMEUAR-NSHDSACASA-N 312.337 -0.032 30 20 DBED CCc1ncncc1C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N 1058659397 YHDKNEODSNOBPY-NSHDSACASA-N 319.365 -0.251 30 20 DBED CN1CCO[C@H](C(=O)N[C@H]2C[C@@H](Nc3ccc(C#N)nn3)C2)C1 1059587215 LCNAONBDSWJLQE-XQQFMLRXSA-N 316.365 -0.262 30 20 DBED C=CCCOCC(=O)N1CCOC[C@H]1CNC(=O)c1cc[nH]n1 1061330237 APGQFAMEQICDHR-GFCCVEGCSA-N 322.365 -0.040 30 20 DBED CCNC(=O)CC(=O)NC[C@@H]1COCCN1C(=O)[C@@H](C)C#N 1061519231 YPLWJJYQVAQPMX-WDEREUQCSA-N 310.354 -0.984 30 20 DBED CNC(=O)CCCC(=O)N1CCOC[C@H]1CNC(=O)[C@H](C)C#N 1061848118 OVTNJBUYXJAUTO-VXGBXAGGSA-N 324.381 -0.594 30 20 DBED CCNC(=O)CCC(=O)N1CCOC[C@H]1CNC(=O)[C@H](C)C#N 1061848313 XYUNTRHTWSKZHV-VXGBXAGGSA-N 324.381 -0.594 30 20 DBED N#Cc1cnc(N2CC[C@H]3CN(C(=O)C(N)=O)CC[C@H]32)cn1 1064034478 WTUAVEASMHYYEW-GXSJLCMTSA-N 300.322 -0.739 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)c2cn(C)nn2)CCO1 1065113373 HIBNFYINEXYEBX-LBPRGKRZSA-N 319.365 -0.424 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)CCn2cccn2)C1 1065556870 KKDJIULVUMPWTC-STQMWFEESA-N 319.365 -0.224 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CCCN(C(=O)COCC)CC1 1066069123 NIWRSYCHWWDIIO-ZDUSSCGKSA-N 323.393 -0.340 30 20 DBED CC(=O)NCC(=O)N1CC2(C[C@H](NC(=O)C#CC(C)C)CO2)C1 1068849157 IAJMECVEQNIKKS-ZDUSSCGKSA-N 321.377 -0.732 30 20 DBED N#CCN1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CCC(=O)N2)C1 1070401924 XIBQWPHUMJVENG-CMPLNLGQSA-N 316.365 -0.383 30 20 DBED Cn1cnc([C@@H]2CN(C(=O)[C@@H]3CCC(=O)N3)C[C@H]2NCC#N)c1 1070556405 ROKIJNSHVPHYPS-GMXVVIOVSA-N 316.365 -0.894 30 20 DBED C[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@@H]1NC(=O)C#CC1CC1 1071727189 VJFNGLFRXUEVHH-PWSUYJOCSA-N 312.391 -0.593 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(C(=O)CN2CCOCC2)C[C@@H]1C 1071917398 AUYYFYPPLFRSRB-LSDHHAIUSA-N 321.421 -0.059 30 20 DBED CNC(=O)NCCC(=O)N1C[C@H](C)[C@H](NC(=O)C#CC2CC2)C1 1072022233 XLPBMHIFILNXAF-WCQYABFASA-N 320.393 -0.318 30 20 DBED C#CCOCCC(=O)N1CC[C@H](NC(=O)CC(=O)NC)[C@H](C)C1 1073910631 XALVNNBKDPHFQN-OLZOCXBDSA-N 323.393 -0.484 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)c3cn(C)ccc3=O)C[C@H]21 1074292680 ZFSIOKQBOWOVFW-GDBMZVCRSA-N 315.373 -0.066 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H]3OCCN(CC#N)[C@H]3C2)nn1 1074352991 AFLDHGHUFXEVMQ-UONOGXRCSA-N 316.365 -0.097 30 20 DBED C#CCCCCC(=O)N[C@@H](C)CCNC(=O)[C@@H]1CNC(=O)N1 1078091613 ZLCSSOAGAQHBIU-RYUDHWBXSA-N 308.382 -0.128 30 20 DBED CC(C)[C@@H](O)C(=O)N1CCC(CO)(NC(=O)C#CC2CC2)CC1 1080854532 UFUVCEUMBNIJSR-OAHLLOKOSA-N 322.405 -0.114 30 20 DBED C=CCOCC(=O)N1C[C@H](CNC(=O)COCCC)[C@@H](O)C1 1081327116 IWLIBWMKIYJSRR-STQMWFEESA-N 314.382 -0.449 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)c2cncn2C)C[C@@H]1O 1081337682 HPVYSHJSZBGOGD-YPMHNXCESA-N 306.366 -0.065 30 20 DBED C=CCCCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2nc[nH]n2)C1 1081653228 LLEOFRUXPGABDM-MNOVXSKESA-N 307.354 -0.290 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2ccncn2)C1 1081684678 JCGLEWBKQVNQAP-WCQYABFASA-N 304.350 -0.008 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1cn2c(n1)COCC2 1081854069 ZRXQPHMZKDWQBT-ZYHUDNBSSA-N 305.338 -0.634 30 20 DBED C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C[C@H]1NCC#N 1082507932 KAXIVGRFSKTQGL-NQBHXWOUSA-N 316.365 -0.277 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H]2CN(Cc3ccnn3C)C[C@@H]21 1083026155 PZELAPQMQFGEEP-FPMFFAJLSA-N 303.366 -0.009 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CO[C@@H]1CCOC1 1083080697 AZCOAPBQGJSDHH-QLFBSQMISA-N 308.378 -0.273 30 20 DBED C[C@@H](C(=O)N(C)C)N1C[C@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 1083390118 CSRKEDOVDKPNHV-BIMULSAOSA-N 319.365 -0.862 30 20 DBED C=C(C)CN[C@H]1C[C@H](CNC(=O)[C@@H]2CCS(=O)(=O)N2)C1 1086554373 ILNSWTRUQJLRAK-SRVKXCTJSA-N 301.412 -0.261 30 20 DBED CN1CCN(CC(=O)N2CCCCC[C@H](NCC#N)C2)CC1=O 1088339053 VORZNPVQGCAZLI-AWEZNQCLSA-N 321.425 -0.355 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2ccc3nn[nH]c3n2)[C@H](O)C1 1090312623 KQPQLZVDKJWLNP-ZWNOBZJWSA-N 314.349 -0.459 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1O 1090392314 SYFVQSNYSMVWBT-ZIAGYGMSSA-N 302.334 -0.178 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2CCN(CC(=O)NC)C[C@H]2O)cc1 1090481316 AGLXFVQGBQQDAI-LSDHHAIUSA-N 315.373 -0.421 30 20 DBED Cn1cnc2c(C(=O)N[C@@H]3CCN(CC#N)C[C@H]3O)ccnc21 1090566176 JNWOQWXDHKYPFG-VXGBXAGGSA-N 314.349 -0.343 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2c[nH]c(C)cc2=O)[C@@H](O)C1 1090700256 ZRQUZJOZAOVJHB-HIFRSBDPSA-N 303.362 -0.128 30 20 DBED CC[C@@H](C)OCC(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1091091070 TYZMDBRCSWJQFX-RTXFEEFZSA-N 319.365 -0.171 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCN(c2ccnc(C)n2)C[C@H]1O 1092160944 BCMRPYYMWKPJGY-ZIAGYGMSSA-N 318.377 -0.119 30 20 DBED C[C@H](CC(N)=O)C(=O)N[C@H]1[C@@H]2CN(c3cnc(C#N)cn3)C[C@@H]21 1093330861 LCGJFCLFRKMWFN-GJTWSCIVSA-N 314.349 -0.589 30 20 DBED CC(C)(C(=O)NCCNc1cncc(C#N)n1)N1CCOCC1 1093734025 ZXTMCCSSSBGUQT-UHFFFAOYSA-N 318.381 -0.013 30 20 DBED N#Cc1nccnc1NCCNC(=O)c1ccc2nn[nH]c2n1 1094209953 SSEQAPDCOLXXIW-UHFFFAOYSA-N 309.293 -0.144 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)Cc3ccoc3)CC2=O)C1 1094731875 SKCRLZONXQQBDX-CYBMUJFWSA-N 301.346 -0.143 30 20 DBED CC#CCN1CC(N2C[C@@H](NC(=O)[C@H]3CC[C@@H](C)O3)CC2=O)C1 1094789219 XYPASZVNXSUXTQ-VNHYZAJKSA-N 319.405 -0.022 30 20 DBED CC(=O)N[C@H](C)C(=O)N1CC[C@@H](N=c2cc[nH]cc2C#N)C1 1095009469 BHYGIYXSKNHJEL-ZWNOBZJWSA-N 301.350 -0.087 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(c2ccc3nnnn3n2)C1 1096335080 QBUREBMOHPTHPP-JTQLQIEISA-N 303.326 -0.583 30 20 DBED N#Cc1c[nH]ccc1=N[C@H](CNC(=O)Cn1ncnn1)C1CC1 1096731537 PYFTVQXHRSMMCF-CYBMUJFWSA-N 312.337 -0.631 30 20 DBED Cc1cc(C#N)nc(N[C@H](C)CNC(=O)[C@H]2COCCO2)n1 1097676933 WGEVWQIBBYSBME-ZYHUDNBSSA-N 305.338 -0.011 30 20 DBED Cc1cc(C#N)nc(N[C@H](C)CNC(=O)Cn2cnnn2)n1 1097696091 JVBZANLQEQJVHD-SECBINFHSA-N 301.314 -0.740 30 20 DBED C=CCN(CCO)C1CCN(C(=O)[C@]2(C)CNC(=O)C2)CC1 1098437167 OXBKKFDJHJBPHI-INIZCTEOSA-N 309.410 -0.016 30 20 DBED CNC(=O)CC(=O)N1CC[C@H](CN=c2cc[nH]cc2C#N)C1 1098522073 SVRGICFPXVZBOU-LLVKDONJSA-N 301.350 -0.228 30 20 DBED COCCOCCC(=O)N1CCC(N(CC#N)CCO)CC1 1098579712 KKCUVWBQVJNTDR-UHFFFAOYSA-N 313.398 -0.152 30 20 DBED C#CCNCc1cn([C@H]2CCN(C(=O)[C@@H](C)NC(C)=O)C2)nn1 1098607888 IFOYLRLPJUXZGI-RISCZKNCSA-N 318.381 -0.701 30 20 DBED C[C@H](CCNC(=O)[C@@H]1COCCN1C)N=c1cc[nH]c(C#N)n1 1099022680 WZVSBCHVVSIEHX-NEPJUHHUSA-N 318.381 -0.593 30 20 DBED C#CCCN1C[C@@H]2[C@@H]3CC[C@@H](CN3C(=O)CNC(N)=O)[C@H]2C1 1099400438 DELJIMPPVKPDDK-CRWXNKLISA-N 304.394 -0.153 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)c2ccnn2C)[C@H](O)C1 1099712034 JOQYSOKHBXTTKF-TZMCWYRMSA-N 308.382 -0.212 30 20 DBED CCNC(=O)CN1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H](O)C1 1099783902 YADRUXCZHUQSIE-STQMWFEESA-N 319.365 -0.813 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2cncnc2)[C@@H](O)C1 1099785914 KCTTUOJVYCKUFC-KBPBESRZSA-N 304.350 -0.709 30 20 DBED Cn1nncc1CN1CC[C@@H](NC(=O)C#CC2CC2)[C@H](O)C1 1099827236 UMDSZZMJXOLRDU-ZIAGYGMSSA-N 303.366 -0.720 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)CCCC#CC)[C@@H](O)C1 1099962746 SXXCBHJOOWNCFN-CABCVRRESA-N 319.405 -0.519 30 20 DBED C#CCN1CC[C@@H](NC(=O)CCc2ccc(O)nc2)[C@H](O)C1 1099970543 YVESTTAJKRVHGF-ZIAGYGMSSA-N 303.362 -0.096 30 20 DBED CCN(CCNC(=O)[C@@H]1COCCO1)c1ccnc(C#N)n1 1100480170 YRKCJOPJPYPOOQ-NSHDSACASA-N 305.338 -0.294 30 20 DBED Cc1cc(C#N)nc(NCCN(C)C(=O)Cn2cncn2)n1 1101605098 ADBSUYHSFLHYPR-UHFFFAOYSA-N 300.326 -0.181 30 20 DBED CN(CCNc1nccnc1C#N)C(=O)CCc1cn(C)nn1 1101670805 FNYOARIEJILYAS-UHFFFAOYSA-N 314.353 -0.020 30 20 DBED Cc1nonc1CC(=O)N(C)CCN=c1cc[nH]c(C#N)n1 1101754814 WYCOSZHVAZFTKQ-UHFFFAOYSA-N 301.310 -0.425 30 20 DBED N#Cc1cnc(NC[C@H]2CCCN2C(=O)CCNC(N)=O)cn1 1103804535 QZDLECGCOHOXMI-LLVKDONJSA-N 317.353 -0.190 30 20 DBED Cc1nc(N2CCO[C@H](CNC(=O)CC(N)=O)C2)ccc1C#N 1104305021 GQDSRRILMDLSRG-GFCCVEGCSA-N 317.349 -0.542 30 20 DBED Cc1cc(C#N)nc(NC[C@H](C)N(C)C(=O)Cn2cnnn2)n1 1104448166 YPWAWLLEPUMMQW-JTQLQIEISA-N 315.341 -0.398 30 20 DBED C#CCCNCC[C@@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@H]1C 1104487408 WJCODGYFJMWDFU-HUUCEWRRSA-N 320.437 -0.484 30 20 DBED Cc1cc(C#N)nc(N[C@H](CNC(=O)CNC(N)=O)C(C)C)n1 1105106418 UQXYMMHBYQARMQ-LLVKDONJSA-N 319.369 -0.122 30 20 DBED C=C[C@@](C)(O)CC(=O)N(C)CCN(C)c1nccn2nnnc12 1105379952 SPOPXMZCGKILII-CQSZACIVSA-N 319.369 -0.259 30 20 DBED Cc1nn[nH]c1C(=O)N(C)CCN(C)c1cnc(C#N)cn1 1105514935 KPZLSVIQCYNQBL-UHFFFAOYSA-N 300.326 -0.017 30 20 DBED Cc1cc(=NC[C@H](O)CNC(=O)[C@H]2CCCO2)c(C#N)c[nH]1 1105737725 JWFCKFWFCVEEGB-GXTWGEPZSA-N 304.350 -0.248 30 20 DBED C=CCCOCC(=O)NC[C@H](O)CNc1cnc(C#N)cn1 1105889262 BEDCWVABLQRIHX-GFCCVEGCSA-N 305.338 -0.170 30 20 DBED N#Cc1cccnc1NC[C@@H](O)CNC(=O)Cc1cnc[nH]1 1106129350 HUOKWNNYIGVARV-LBPRGKRZSA-N 300.322 -0.192 30 20 DBED C[C@@H](CCN=c1cc[nH]cc1C#N)NC(=O)Cn1cnnc1O 1106287625 QJOWKDVCNSDCKD-JTQLQIEISA-N 315.337 -0.321 30 20 DBED CNC(=O)NCCC(=O)NC/C=C/CN=c1cc[nH]c(C#N)n1 1107151503 MPHKJUBDYSWHQQ-NSCUHMNNSA-N 317.353 -0.826 30 20 DBED C[C@H](CNc1nccnc1C#N)NC(=O)[C@@H]1COCCN1C 1107694002 DMVFGIPBUIMHEA-PWSUYJOCSA-N 304.354 -0.405 30 20 DBED CC(C)=CC(=O)NC[C@]1(C)CN(CC(=O)NCC#N)CCO1 1107710324 SUYYRLCIDCHOMH-OAHLLOKOSA-N 308.382 -0.201 30 20 DBED C[C@]1(CNC(=O)C#CC2CC2)CN([C@H]2CCCNC2=O)CCO1 1107933074 XVJGCXPAZUSMKU-YOEHRIQHSA-N 319.405 -0.115 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)[C@]1(C)CCC(=O)NC1 1108644312 XYBQFXLNSDBFIK-ZUZCIYMTSA-N 316.365 -0.397 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)[C@@]1(C)CCNC1=O 1108694096 CDRJTUOKIIUJKX-XPTSAGLGSA-N 302.338 -0.787 30 20 DBED COC(=O)NCC(=O)N[C@@H]1[C@H]2C[C@H]1N(c1cncc(C#N)n1)C2 1109685016 ZVBUUGZZTUWKEE-IYYTYJHQSA-N 316.321 -0.602 30 20 DBED N#Cc1cnc(NC2(CNC(=O)C(=O)NCC(F)F)CC2)cn1 1110276128 NVBFSASHUODIOC-UHFFFAOYSA-N 324.291 -0.210 30 20 DBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CNC(=O)OC 1110333164 AFRTWXCUFMLLJJ-UTUOFQBUSA-N 324.381 -0.634 30 20 DBED C#CCN(C(=O)C(N)=O)C1CCN(c2nc(C)ns2)CC1 1110628705 NGFAYEJDYCZFAK-UHFFFAOYSA-N 307.379 -0.238 30 20 DBED CN1CCC[C@@H]1C(=O)N(CCO)CCNc1ccc(C#N)nn1 1111429666 VOKGBILFALEWDS-CYBMUJFWSA-N 318.381 -0.325 30 20 DBED CC(=O)NCC(=O)N1CCO[C@H](CNc2cnc(C#N)cn2)C1 1111929347 DOLDZARJDURTBO-GFCCVEGCSA-N 318.337 -0.876 30 20 DBED C[C@H]1CN(C(=O)CCN(C)C)C[C@H]1N=c1cc[nH]c(C#N)n1 1112335249 ARBLCFFCFYTZNP-NWDGAFQWSA-N 302.382 -0.019 30 20 DBED C=CCOCCN1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 1113343370 HHSXHBPZLVJXKC-QWHCGFSZSA-N 311.382 -0.634 30 20 DBED C=C(Cl)CN1CCN(C(=O)[C@@H](C)NS(C)(=O)=O)CC1 1113383768 QEDLOOQCOFMHNJ-SNVBAGLBSA-N 309.819 -0.179 30 20 DBED CCc1nc(C#N)cc(N(C)[C@@H](C)CNC(=O)CNC(N)=O)n1 1113509602 ZPSDVRUBVMTOCM-VIFPVBQESA-N 319.369 -0.480 30 20 DBED Cc1c[nH]nc1C(=O)NC1[C@H]2CN(CC(=O)NCC#N)C[C@H]12 1114231438 AZWHJWNUWMGGBH-UWVGGRQHSA-N 302.338 -0.982 30 20 DBED CNC(=O)NC(=O)CN1C[C@H]2C(NC(=O)C#CC(C)C)[C@@H]2C1 1114240313 VEABSEWUECIDKM-GHMZBOCLSA-N 306.366 -0.852 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)C3(N(C)C)CCC3)[C@H]2C1 1114400314 FKAOAJUITSDNRB-NHAGDIPZSA-N 320.437 -0.181 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)c3cncnc3O)[C@H]2C1 1114445522 SDZFSXQRANWSJD-QWRGUYRKSA-N 317.349 -0.856 30 20 DBED C=CCCCN1C[C@H]2C(NC(=O)CCn3ncn(C)c3=O)[C@@H]2C1 1114619335 UQTZGGDQHZXPBC-CHWSQXEVSA-N 319.409 -0.016 30 20 DBED C=C1CC(C)(C(=O)NC2[C@H]3CN(CC(=O)NC(N)=O)C[C@H]23)C1 1114805424 CMGWKHWDGGCVEU-UWVGGRQHSA-N 306.366 -0.416 30 20 DBED C[C@@H](CCCN=c1cc[nH]c(C#N)n1)NC(=O)[C@H]1CCC(=O)N1 1114881065 CPJWYCCDPXWVNK-WDEREUQCSA-N 316.365 -0.254 30 20 DBED C=CCC[C@H](C)N1C[C@H]2[C@H](NC(=O)CN3C(=O)CNC3=O)[C@H]2C1 1115210520 JCJNXLXCIZQGKH-UUIJZJDISA-N 320.393 -0.061 30 20 DBED C=C(Cl)CN1C[C@H]2C(NC(=O)CS(=O)(=O)NC)[C@@H]2C1 1115249722 LBKOIOWHUJDXCS-RKDXNWHRSA-N 307.803 -0.666 30 20 DBED N#CCCCNC(=O)C(=O)Nc1ccc(OCC(N)=O)cc1 1116543909 GIZUFNIRUZKWST-UHFFFAOYSA-N 304.306 -0.091 30 20 DBED COc1ccc(CNC(=O)C(=O)N2CCO[C@H](C#N)C2)cc1O 1117034620 YVSDVFAEPYGIJD-LLVKDONJSA-N 319.317 -0.232 30 20 DBED C#CCCNC1CC2(C1)CC(NC(=O)CN1CCNC(=O)C1)C2 1121522994 WGDITRKAXPKVRU-UHFFFAOYSA-N 318.421 -0.542 30 20 DBED Cc1nc(N[C@H](CO)CNC(=O)CCNC(N)=O)ccc1C#N 1121592024 XTWDUVHIKKYWEI-NSHDSACASA-N 320.353 -0.791 30 20 DBED Cc1cc(=NC[C@H](O)CN(C)C(=O)c2cnon2)c(C#N)c[nH]1 1124465895 AZXDDGWBZGSPSO-NSHDSACASA-N 316.321 -0.388 30 20 DBED C#CCNC(=O)CC(=O)NCCNCc1ccc(C(N)=O)cc1 1125977616 BSVSNJYZFREXIO-UHFFFAOYSA-N 316.361 -0.869 30 20 DBED COCCN(CCNC(=O)c1nc[nH]n1)c1ncccc1C#N 1126383941 HEARNVRCFLTXSL-UHFFFAOYSA-N 315.337 -0.046 30 20 DBED C#CCO[C@@H](C)C(=O)NCCNCC(=O)N(C)Cc1ccco1 1127052462 YBDSEKPQJQDTLS-ZDUSSCGKSA-N 321.377 -0.018 30 20 DBED C=CCOCC(=O)NCc1cnn2c1CN(CCCO)CC2 1128259900 YEQMSASNGXTHQM-UHFFFAOYSA-N 308.382 -0.100 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)C[C@H]1CCN(C)C1=O 1130041283 HNYOQTJFOKSJIS-NWDGAFQWSA-N 310.398 -0.749 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)Cn2nc(C)cc2C)C1=O 1131062274 FOLZIIJHSAKPPQ-CQSZACIVSA-N 319.409 -0.007 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1ccc2cncn2c1 1131370574 NWTNARADZMUBKX-UHFFFAOYSA-N 300.322 -0.707 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)Cc1ncccc1F 1132906786 SVTONCHELITKAX-LLVKDONJSA-N 306.341 -0.393 30 20 DBED C=CCn1cc(C(=O)NCCNCC(=O)N(C)C2CC2)nn1 1134973574 XZCKUYHRTBNYGK-UHFFFAOYSA-N 306.370 -0.596 30 20 DBED C=CCn1cc(C(=O)NCCNCC(=O)NC(C)(C)C)nn1 1134980315 DHDXKPJWBXXLDK-UHFFFAOYSA-N 308.386 -0.302 30 20 DBED COCC#CCN1CCC2(C1)CN(C(=O)[C@H]1CCNC(=O)C1)C2 1147328763 DLIXHCGXKFOKCC-AWEZNQCLSA-N 319.405 -0.303 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)[C@@H]1CC1(F)F)C2 1147476595 VGZKOIDEMOWWNF-NSHDSACASA-N 311.332 -0.075 30 20 DBED CC#CCN1CCCO[C@H](CNC(=O)[C@]2(C)CNC(=O)C2)C1 1150023240 SOKRNUXNXGFNEK-CJNGLKHVSA-N 307.394 -0.257 30 20 DBED COCC#CCN1CCCO[C@@H](CNC(=O)Cc2nc[nH]n2)C1 1150580768 ZZRMDVQUWFUDRS-ZDUSSCGKSA-N 321.381 -0.796 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H](C)N(CC)CCn1cncn1 1152854826 IGOLQOIKINADBX-CYBMUJFWSA-N 320.397 -0.756 30 20 DBED N#Cc1c[nH]c(C(=O)NCCCN[C@@H]2CCC(=O)NC2=O)c1 1156281785 DPOGUUUJHZVTFL-SNVBAGLBSA-N 303.322 -0.599 30 20 DBED CNC(=O)NC(=O)CNCCCNC(=O)c1ccc(C#N)[nH]1 1156703404 OGGLTWOOMRUXTK-UHFFFAOYSA-N 306.326 -0.949 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)Cc1ccn(C)n1 1157801607 JJOSZLRRJPPEIX-GFCCVEGCSA-N 305.382 -0.804 30 20 DBED C#CCOCCC(=O)NCCCNCc1nnnn1C(C)C 1157853306 YPHKZAZMAAJXAN-UHFFFAOYSA-N 308.386 -0.110 30 20 DBED C=CCOCCNCCCNC(=O)CNS(=O)(=O)CC 1159201402 UBWJNHNGKGPYEE-UHFFFAOYSA-N 307.416 -0.776 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@@H]1CC(=O)N(CCC)C1 1167424740 FCRSTAANQDHKPQ-CYBMUJFWSA-N 324.425 -0.357 30 20 DBED CC#CCNCC1(CCNC(=O)CN2CC(=O)N(C)C2=O)CC1 1167719389 GGQMTQGIKHMRLG-UHFFFAOYSA-N 320.393 -0.220 30 20 DBED C#CCNC(=O)CNCCCC[C@H](C)NC(=O)CNC(C)=O 1168875241 XVWLAVIOQHHAOC-LBPRGKRZSA-N 310.398 -0.864 30 20 DBED C#Cc1ccc(C(=O)NCCCNCc2nc(O)n[nH]2)cn1 1171595261 ZRMMKSGCZRBEBZ-UHFFFAOYSA-N 300.322 -0.204 30 20 DBED C[C@H](CCCCNCC#N)NC(=O)c1cc(=O)n2[nH]cnc2n1 1176145361 WQVONPLABMKKNI-SNVBAGLBSA-N 317.353 -0.181 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@H](NCc2nc(O)n[nH]2)[C@@H]1C 1178678280 FLRXGYKDIGHUGC-AXFHLTTASA-N 307.354 -0.372 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CCN(C)C2=O)[C@H]1C 1179363934 BPFODBRGOZORIZ-XQQFMLRXSA-N 322.409 -0.654 30 20 DBED C=CCOCC(=O)N1CC[C@H]2CN([C@H]3CCN(C)C3=O)C[C@H]21 1187326945 VKBCXSNPFGILTM-MELADBBJSA-N 307.394 -0.048 30 20 DBED COCC#CCN1C[C@@H]2CCN(C(=O)[C@@H]3CN(C)CCO3)[C@@H]2C1 1187431570 AHLBFBYBVVSWFG-XHSDSOJGSA-N 321.421 -0.501 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)[C@@H](CC(C)C)C(N)=O)C1 1188467168 PAZQCEZOLCFHCH-KGLIPLIRSA-N 309.410 -0.026 30 20 DBED COCC#CCN1C[C@@H]2CCN(C(=O)CCCC(N)=O)[C@@H]2C1 1190508931 ZSXVMMMUWRTKHV-UONOGXRCSA-N 307.394 -0.176 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)OCC2CC2)C1 1191547202 XXRRFFVDTDHNPN-BPLDGKMQSA-N 310.394 -0.387 30 20 DBED C#CCCCCC(=O)N[C@@H]1CN(CCn2cncn2)C[C@H]1O 1192329148 UAXVNGAUPDEBAG-ZIAGYGMSSA-N 305.382 -0.367 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@H]1CCN(C(=O)CN(CC)CC)C1 1192947765 MQUNIZNPMLAARK-CABCVRRESA-N 322.453 -0.001 30 20 DBED C=CCCCN1C[C@@H](O)[C@H](NC(=O)CCS(C)(=O)=O)C1 1194185503 XPNRULHTPNECKD-VXGBXAGGSA-N 304.412 -0.451 30 20 DBED C=CCCC1(C(=O)N[C@@H]2CN(CC(=O)N(C)C)C[C@H]2O)CC1 1195905718 AUCSJWNZNKTCLQ-CHWSQXEVSA-N 309.410 -0.018 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@H](C)Cc2c(C)n[nH]c2C)C1 1198811789 YCCQIYNJQZTDMQ-VCTAVGKDSA-N 304.394 0.000 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC(NCc2nc(=O)n(C)[nH]2)CC1 1200494698 HRTTVOQIMGLJDX-LLVKDONJSA-N 321.381 -0.773 30 20 DBED COCC#CCNC1CCN(C(=O)c2cc(=O)n(C)cn2)CC1 1201110561 BBENYIJWBSDNJW-UHFFFAOYSA-N 318.377 -0.376 30 20 DBED C=CCNC[C@@H]1CN(C(=O)C[C@@H]2CC(=O)NC2=O)CCCO1 1202251697 UEYDSFMDXGOYPU-NWDGAFQWSA-N 309.366 -0.568 30 20 DBED Cc1ocnc1C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1206332715 KXHWXYMVLDTZFG-MWLCHTKSSA-N 305.338 -0.327 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)c2csnn2)C1 1208807558 PRGSLIBPYXBBIG-JTQLQIEISA-N 307.379 -0.518 30 20 DBED C#CCCN1C[C@@H](NC(=O)C(C)(C)NC(=O)NCC)[C@H](OC)C1 1213522302 AOEUEUWVOXVKJC-CHWSQXEVSA-N 324.425 -0.077 30 20 DBED C[C@@H]1CN(C(=O)C[C@@H]2CCOC2)C[C@H]1NCC(=O)NCC#N 1214372936 HOZYKLCDAVCZFJ-FRRDWIJNSA-N 308.382 -0.511 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](N[C@@H]2CCC(=O)NC2=O)[C@H](C)C1 1214583837 ATYMWQAMNBQPEB-JHJVBQTASA-N 305.378 -0.113 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@@]2(F)CCOC2)C[C@H]1C 1215392937 HRPXLCILPPIYTK-LALPHHSUSA-N 313.373 -0.146 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)C2CCN(C)CC2)C[C@H]1C 1215453545 HNGRKWXLYFJMMR-UKRRQHHQSA-N 320.437 -0.486 30 20 DBED C#CCCCC(=O)N1CCO[C@@H]2CN(CCn3cncn3)C[C@@H]21 1217763279 HYLUDVGCNHJELY-LSDHHAIUSA-N 317.393 -0.007 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H](CC)NC(C)=O 1218677726 YZMMYDMJTSMSKM-QLFBSQMISA-N 307.394 -0.164 30 20 DBED C=CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CCCS(C)(=O)=O 1218772326 YQDJKOZXBPXIIM-QWHCGFSZSA-N 316.423 -0.091 30 20 DBED CCc1nnc(CN2C[C@H](O)[C@H](NC(=O)[C@@H](C)C#N)C2)s1 1219379662 WEVLELXZRIMQHB-AEJSXWLSSA-N 309.395 -0.079 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CN(Cc2nc(C3CC3)nn2C)C[C@@H]1O 1219381523 VCWCMKMDRPSVHX-JLLWLGSASA-N 318.381 -0.487 30 20 DBED CCCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 1219469441 OSNMKWNNWNKAOQ-OLZOCXBDSA-N 319.365 -0.813 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN([C@H](C)C(=O)NCC(C)C)C[C@@H]1O 1219588957 PQJHCIHCNSMPPQ-KFWWJZLASA-N 323.437 -0.032 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCCCN2C)C1 1219880072 XKPPQCHVSWSYBT-KFWWJZLASA-N 311.426 -0.165 30 20 DBED C[C@@H](O)CN1C[C@H](O)[C@H](NC(=O)CC#Cc2ccccc2)C1 1221046551 RMBBAMMJHGELAG-BMFZPTHFSA-N 302.374 -0.030 30 20 DBED CC(C)[C@H](C(=O)N[C@@H]1CN(CC#N)C[C@@H]1O)N1CCCC1=O 1221167285 GUZKPRKXSKTPDZ-MBNYWOFBSA-N 308.382 -0.682 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)c2nccnc2N)CC1 1226624692 CLJBKKSLUXGQOD-UHFFFAOYSA-N 316.365 -0.998 30 20 DBED N#CCNC(=O)CN1CCC(NC(=O)[C@H]2C[C@H]3C=C[C@H]2O3)CC1 1228053947 MEOUSRYQHXYGFU-HZSPNIEDSA-N 318.377 -0.450 30 20 DBED CCCCS(=O)(=O)NCC(=O)NC1CCN(CC#N)CC1 1230137584 JWMLWVBEFBWQRT-UHFFFAOYSA-N 316.427 -0.190 30 20 DBED C#CCN1CCS(=O)(=O)[C@H](CCNC(=O)c2cocn2)C1 1230436685 QTHOVJIQUVVNSE-LLVKDONJSA-N 311.363 -0.473 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)CNC(=O)CCC 1231016069 YWKVGEHFBNYVAS-ZDUSSCGKSA-N 322.409 -0.815 30 20 DBED C=CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)Cc1nnc(C)o1 1234088663 PJBJUCWBSHVXSQ-GFCCVEGCSA-N 321.381 -0.245 30 20 DBED C#C[C@@H](NC(=O)C(=O)NCCCc1nc(C)no1)[C@@H]1CCCO1 1261150392 YLCVARLHNLHSOW-NEPJUHHUSA-N 320.349 -0.276 30 20 DBED C=CCS(=O)(=O)CCn1nnnc1N1C[C@H]2COC[C@H]2C1 1262424191 KETIZUAWZAXECU-PHIMTYICSA-N 313.383 -0.644 30 20 DBED C#CCNC(=O)CNC[C@H]1CCCN1C(=O)[C@@]1(F)CCOC1 1319102329 TWFBWKBABCHUIQ-IUODEOHRSA-N 311.357 -0.555 30 20 DBED C=C[C@@H](COC)NC(=O)CCc1nc2c(O)nc(=O)n(C)c2[nH]1 1320328429 XVZDGQQGZAJVHB-QMMMGPOBSA-N 321.337 -0.388 30 20 DBED N#Cc1cccc(CNC(=O)C(=O)NCC(=O)NCC2CC2)c1 1323096852 GUHCMOBQTHTWNV-UHFFFAOYSA-N 314.345 -0.183 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N1CC[C@@H](N2CCCC2=O)C1 1323527327 FFVKBNSUIWURSB-NWDGAFQWSA-N 309.366 -0.473 30 20 DBED C[C@H](NC(=O)C(=O)N1CCC[C@@](C)(C#N)C1)[C@H]1CN(C)CCO1 1324279561 CPQFUFFXJCOJAR-ZENOOKHLSA-N 322.409 -0.026 30 20 DBED C#CCCCCNC(=O)C(=O)N[C@H]1CCCS(=O)(=O)C1 1324591073 BLTAWUWXGTWISA-NSHDSACASA-N 300.380 -0.401 30 20 DBED C=CCNC(=O)CNC(=O)N1CCC[C@H](C(=O)NC2CC2)C1 1324957479 BYDRQQTYWDTONE-NSHDSACASA-N 308.382 -0.011 30 20 DBED C[C@H](O)C[C@@H]1COCCN1C(=O)C(=O)N(C)CC(C)(C)C#N 1325114325 GKEXIGVSGANXSW-NWDGAFQWSA-N 311.382 -0.007 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N[C@H]1CCN(CC(F)F)C1 1327725170 GWKHPFTXAFMCAJ-UWVGGRQHSA-N 305.325 -0.241 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N[C@@H](C)[C@H]2CCOC2)nn1 1328097182 IDUVEJNSWZCLRC-QWRGUYRKSA-N 307.354 -0.379 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)NCc1nnn(C(C)(C)C)n1 1329203294 FUWDAQHVRFPENO-SECBINFHSA-N 310.358 -0.639 30 20 DBED C#CCN(CC)c1nnnn1CCCN(CC)S(C)(=O)=O 1337089714 DHRYUUDEDOJHJC-UHFFFAOYSA-N 314.415 -0.196 30 20 DBED C#CCSCCn1nnnc1N1CCS(=O)(=O)CC1 1337201747 KJNISRXSVQOWKK-UHFFFAOYSA-N 301.397 -0.726 30 20 DBED C=C(C)Cn1c(C(N)=O)nnc1N1CCN([C@H]2CCOC2)CC1 1342328188 IBMIFJTUIUPRIB-LBPRGKRZSA-N 320.397 -0.136 30 20 DBED C[C@H](O)C[C@@H]1CCCN1C(=O)CCn1cc(C#N)c(O)nc1=O 1362341810 XGDHOLBOIKINNI-JQWIXIFHSA-N 320.349 -0.027 30 20 DBED CCN(CCNC(=O)c1cc(C#N)c[nH]1)Cc1nnn(C)n1 1366607789 MCVJJFIMXRREOO-UHFFFAOYSA-N 302.342 -0.338 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)CCc1nccn1C 1376678322 YVLJVOSDCAVYQI-QWRGUYRKSA-N 307.354 -0.894 30 20 DBED C=C(Br)CNC[C@@H](O)CNC(=O)[C@H]1COC(=O)N1 1379198018 LPMOMEARWYFNDC-HTQZYQBOSA-N 322.159 -0.930 30 20 DBED Cc1nc(CC(=O)N2CCC[C@@H]2CNC(=O)[C@H](C)C#N)n[nH]1 1388348673 RDPFYRDVUVOBHH-MWLCHTKSSA-N 304.354 -0.078 30 20 DBED CNC(=O)NCC(=O)NC1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](C)C#N 1397231702 UWBXQBVFIDXNPJ-YEJSDXFRSA-N 321.381 -0.287 30 20 DBED CC(=O)NCC(=O)N(C)C[C@@H](O)CNCc1ccc(C#N)s1 1403839952 XDPVMGNIKRAZGF-NSHDSACASA-N 324.406 -0.335 30 20 DBED CC[C@@H](NS(=O)(=O)N1CCO[C@H](C#N)C1)c1noc(C)n1 1413379897 PBNQGWUDRXRUON-NXEZZACHSA-N 315.355 -0.112 30 20 DBED CN(CCNC(=O)CCN1CCOCC1)c1ccnc(C#N)n1 1418029259 TZBQROHYXDGHOD-UHFFFAOYSA-N 318.381 -0.377 30 20 DBED Cc1nn[nH]c1C(=O)NC[C@H](C)NC(=O)c1ccc(C#N)[nH]1 1431794220 MTRMLKKMAABKCP-ZETCQYMHSA-N 301.310 -0.139 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)CCc2ccnn2C)C1 1445647916 TZTSUZWPLIXFOH-UHTWSYAYSA-N 319.365 -0.800 30 20 DBED C[C@@H](CNC(=O)COCc1ccnn1C)CNC(=O)[C@H](C)C#N 1451602030 MITOPAKZFZXSFS-NWDGAFQWSA-N 321.381 -0.035 30 20 DBED Cc1nc[nH]c1C(=O)NCCN1CCN(C(=O)[C@@H](C)C#N)CC1 1453924861 BHERLTAOOFJOPH-NSHDSACASA-N 318.381 -0.248 30 20 DBED COc1cc(C(=O)N2CC(CNC(=O)[C@@H](C)C#N)C2)nn1C 1456586780 OFRSKVGGFVTCPK-VIFPVBQESA-N 305.338 -0.223 30 20 DBED C[C@@H]1c2nncn2CCN1C(=O)Cn1cc(C#N)c(O)nc1=O 1466884526 ZLCBHMQCLUUTRW-MRVPVSSYSA-N 315.293 -0.985 30 20 DBED C[C@@H](CN(C)C(=O)CN(C)S(C)(=O)=O)NC(=O)[C@H](C)C#N 1510605938 FMBQOELRJYPITJ-ZJUUUORDSA-N 318.399 -0.999 30 20 DBED CC(C)c1nnnn1CC(=O)N[C@H]1C[C@H](NC(=O)[C@H](C)C#N)C1 1525052987 UFLAHZHGAAFDDR-GMTAPVOTSA-N 319.369 -0.280 30 20 DBED C=CCOC[C@@H](NC(=O)CNc1ccccc1C(N)=O)C(=O)O 1573368917 LEEHTZRJNYSROC-GFCCVEGCSA-N 321.333 -0.031 30 20 DBED N#Cc1nc(N2CC[C@@](O)(C(F)F)C2)cnc1-c1nn[nH]n1 1581878723 YTKQRCUUMJMKNL-NSHDSACASA-N 308.252 -0.265 30 20 DBED N#Cc1ncc(N2CC(N[C@@H]3CCOC3)C2)nc1-c1nn[nH]n1 1581882404 XDAUXTYEGXTEBT-MRVPVSSYSA-N 313.325 -0.905 30 20 DBED C[C@H](C#N)C(=O)N(C)C[C@@H](O)CN(C)c1ccnc(C(=O)O)n1 1589323690 KHKFZEFBSFGMRD-ZJUUUORDSA-N 321.337 -0.410 30 20 DBED C[C@H](CNC(=O)[C@H](C)C#N)N=c1cc[nH]c(-c2nn[nH]n2)n1 1589849751 LRHVABWQLXOIBN-HTQZYQBOSA-N 301.314 -0.845 30 20 DBED N#CCNC[C@H]1C[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1592678722 MJCUIQUWZWKLKF-KYZUINATSA-N 300.326 -0.184 30 20 DBED Cn1nc(C(=O)O)cc1NC(=O)N1CCN(C(=O)CC#N)CC1 1601004213 MDEFPWZKNUZMDR-UHFFFAOYSA-N 320.309 -0.292 30 20 DBED N#Cc1ccc(C(=O)NCCC(=O)NCCC(=O)O)cc1O 1601092551 TTYNVSSHLMCISB-UHFFFAOYSA-N 305.290 -0.025 30 20 DBED C=C[C@H](COC)NS(=O)(=O)c1ccc(-c2nn[nH]n2)nc1 1602804151 SHCLPLGAQGEOFI-MRVPVSSYSA-N 310.339 -0.259 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@]1(O)CCN(c2ccnc(C(=O)O)n2)C1 1603130550 YFMYLOZPJKPTSC-XPTSAGLGSA-N 319.321 -0.608 30 20 DBED C[C@H](Nc1cnc(C#N)c(-c2nn[nH]n2)n1)C(=O)NCCF 1603685004 CTFOBEYEBUXMIE-LURJTMIESA-N 305.277 -0.586 30 20 DBED N#Cc1cccc([C@@H](NCCN2C(=O)CNC2=O)C(=O)O)c1 1608215643 NHZORQDHYQNFKZ-GFCCVEGCSA-N 302.290 -0.175 30 20 DBED Cc1nnc(NCCn2cnc(-c3nn[nH]n3)n2)c(C#N)c1C 1609461211 QSJMQOYNVSZRFB-UHFFFAOYSA-N 311.313 -0.151 30 20 DBED C#CCNC(=O)CN[C@@H](CNC(=O)[C@@]1(C)CCOC1)C1CC1 1752489433 DWSBHTJVZSKKNN-BBRMVZONSA-N 307.394 -0.353 30 20 DBED C=CCNC(=O)NC(=O)CN[C@H]1C[C@H](NC(=O)[C@H]2CCOC2)C1 1752619361 KXLQLONSHKDPEU-SRVKXCTJSA-N 324.381 -0.729 30 20 DBED C#CCNC(=O)CNC1CCC(NC(=O)COCC=C)CC1 1752848601 OHPLJGSNMBALEM-UHFFFAOYSA-N 307.394 -0.045 30 20 DBED C#CCNC(=O)CN(C)CCNC(=O)c1c(C)nn(C)c1OC 1753067288 CRMNWHSCWFJTDS-UHFFFAOYSA-N 321.381 -0.852 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)Cn2c(C)c(C)sc2=O)C1 1753657690 FJJCQLRRMYCSKW-ZDUSSCGKSA-N 323.418 -0.023 30 20 DBED C#CCNC(=O)CN(C)CCN(C)C(=O)[C@H](C)Cc1cnc[nH]1 1753865087 HFLHLHBTDQYZMV-CYBMUJFWSA-N 319.409 -0.272 30 20 DBED C#CCNC(=O)CNCCN(CC)C(=O)c1cn(C)nc1CC 1754051491 BLHWMAGFXWEEJG-UHFFFAOYSA-N 319.409 -0.216 30 20 DBED C#CCCCC(=O)NC/C=C\CNCC(=O)N1CCNC(=O)C1 1754115955 LFYNDGJKFPJOOW-WAYWQWQTSA-N 320.393 -0.990 30 20 DBED C#CCNC(=O)CNC/C=C/CNC(=O)c1cc(OC)ccn1 1754167475 QFONGOURTCLXNM-SNAWJCMRSA-N 316.361 -0.285 30 20 DBED COCC#CCNC1(CNC(=O)c2cc(C(N)=O)c[nH]2)CC1 1754530336 PUWVEMYEKDRMPI-UHFFFAOYSA-N 304.350 -0.385 30 20 DBED C#CCCNC1(CNC(=O)[C@@H]2CN(C)C(=O)N2)CCOCC1 1754738583 CXZLZZVMYSFZJL-LBPRGKRZSA-N 308.382 -0.712 30 20 DBED CC(C)(C)N1C[C@H](C(=O)N2CCO[C@H](CNCC#N)C2)CC1=O 1754999911 FVSIUGLHWKSFHB-CHWSQXEVSA-N 322.409 -0.026 30 20 DBED N#CCNC[C@H]1CN(C(=O)[C@@H]2CCn3ccnc3C2)CCO1 1755005613 RLAWYJDCLWIZQS-OLZOCXBDSA-N 303.366 -0.214 30 20 DBED C#CCCCC(=O)N1CCC(O)(CN[C@@H]2CCN(C)C2=O)CC1 1755149201 YHJSSVUFIGQLFE-CQSZACIVSA-N 321.421 -0.036 30 20 DBED C[C@]1(CCC(=O)N2CCC(O)(CNCC#N)CC2)CCC(=O)N1 1755155489 BQISWMRISPGBIR-OAHLLOKOSA-N 322.409 -0.098 30 20 DBED C#CCNC(=O)CN[C@@H](C)[C@@H](C)NC(=O)c1cnnn1CC 1755234111 LRAJADITEAYAFE-WDEREUQCSA-N 306.370 -0.856 30 20 DBED COCC#CCN(C)[C@@H](C)CNC(=O)Cn1ccccc1=O 1755326389 PEITUWMKPLCDHA-AWEZNQCLSA-N 305.378 -0.065 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H](CO)NCC(=O)NC(C)(C)C 1755628167 QBQNEDJEESOIAQ-NEPJUHHUSA-N 313.398 -0.994 30 20 DBED C[C@@H]1[C@@H](NCc2nnn(C)n2)CCN1C(=O)CSCC#N 1755661183 JBCHPIJHNMCSFY-ZJUUUORDSA-N 309.399 -0.454 30 20 DBED C=CCOCCNC1CC(N(C)C(=O)C2CS(=O)(=O)C2)C1 1755857809 CQTPENMRHMYEGK-UHFFFAOYSA-N 316.423 -0.187 30 20 DBED C#CCOCCC(=O)N[C@H]1CC[C@H](C)N(C(=O)CNC(N)=O)C1 1756792945 IKVWKYHKBHRKIA-RYUDHWBXSA-N 324.381 -0.810 30 20 DBED C=CCOCC(=O)N1C[C@@H]2CCN(C(=O)c3ncn(C)n3)[C@@H]2C1 1756954607 BCHFSHZHMXZEFH-NWDGAFQWSA-N 319.365 -0.309 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(C(=O)c2ccnn2C)C[C@H]1O 1756992381 WDMJJLGCRWCMMY-HCKVZZMMSA-N 322.365 -0.951 30 20 DBED CN(C[C@H]1CCN1C(=O)c1nnn(C)n1)C(=O)C#CC1CC1 1757288662 CEMWRGWYXMLUBQ-LLVKDONJSA-N 302.338 -0.704 30 20 DBED C=CCOCC(=O)NC[C@H]1CC[C@@H](NC(=O)[C@H]2CCNC2=O)C1 1757341416 WGNRHQUWZJGCRD-XQQFMLRXSA-N 323.393 -0.274 30 20 DBED COC(=O)c1ccc(N(C)CCNS(C)(=O)=O)c(C#N)n1 1771769796 MUYAYNQECJBCPQ-UHFFFAOYSA-N 312.351 -0.275 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CCCOC1)CCO2 1783054439 JIVUFOXKSYWUMM-BBRMVZONSA-N 306.362 -0.124 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnc(O)[nH]1)CCO2 1783055297 WCCOXKKTGLZDMV-CQSZACIVSA-N 304.306 -0.808 30 20 DBED N#CCCC(=O)N1CCC(N2CCC(NC(=O)CN)CC2)CC1 1834667352 UKQODKPQGTUHRJ-UHFFFAOYSA-N 321.425 -0.180 30 20 DBED C=CCNC(=O)[C@H](C)N1CCC[C@H](CNS(C)(=O)=O)C1 48573990 MXMUINKCASHYNZ-NWDGAFQWSA-N 303.428 -0.062 30 20 DBED CCS(=O)(=O)N1CCN(CCC(=O)N(C)CCC#N)CC1 131363941 IIQMEBXURSJLNR-UHFFFAOYSA-N 316.427 -0.284 30 20 DBED COCCN(CCC#N)Cc1nc2c(=O)n(C)c(=O)n(C)c2[nH]1 131751066 HYOSPIHZJYGQID-UHFFFAOYSA-N 320.353 -0.678 30 20 DBED C#CCN(C)C(=O)Cn1cc(Br)c(=O)[nH]c1=O 191157768 SQDPPGSNAZUNKL-UHFFFAOYSA-N 300.112 -0.609 30 20 DBED C#CCN(C)[C@@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 192220448 MBWUUKQOUKNRNK-LBPRGKRZSA-N 323.418 -0.054 30 20 DBED C=CCCOCCNC(=O)C(=O)N1CCn2nc(C)nc2C1 289395739 MLJOVZBUJMZWOZ-UHFFFAOYSA-N 307.354 -0.362 30 20 DBED C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)[C@H]1CCOC1 329564034 NRCIWGQGFDVTBW-QWRGUYRKSA-N 309.409 -0.220 30 20 DBED COCCN1CCC(/N=C(/O)N2CCS(=O)(=O)CC2)CC1 329813882 NLPNNWBUNMPNKP-UHFFFAOYSA-N 319.427 -0.258 30 20 DBED Cn1c(N)c(C(=O)CN[C@@H]2CCC[C@H]2C#N)c(=O)n(C)c1=O 330804290 BPFSWDNZDJTWEU-DTWKUNHWSA-N 305.338 -0.869 30 20 DBED CCNC(=O)C/N=C(/O)N[C@H](CC)C(=O)N1CCOCC1 331218871 XJQVFCADFSGLNR-SNVBAGLBSA-N 300.359 -0.737 30 20 DBED CS(=O)(=O)N[C@@H]1CCN(S(=O)(=O)CC2(C#N)CC2)C1 331576986 ZITXDLITZARPTE-SECBINFHSA-N 307.397 -0.757 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N(C)CC(=O)N1CCOCC1 336910497 IKEXBJPTMUGQBU-NSHDSACASA-N 318.399 -0.887 30 20 DBED N#C[C@H]1CN(S(=O)(=O)NCc2ccn3ccnc3c2)CCO1 336955359 YJFOVZKQFCNJHD-LBPRGKRZSA-N 321.362 -0.107 30 20 DBED N#Cc1ncn(CC(=O)N2CCNC(=O)[C@@H]2Cc2ccccc2)n1 345389339 CEASHIVLPRFSAE-ZDUSSCGKSA-N 324.344 -0.281 30 20 DBED C=C[C@@H](CO)NC(=O)C(=O)Nc1ccn(-c2ccccc2)n1 354548077 RTFXRDXKQPEXFW-NSHDSACASA-N 300.318 0.474 30 20 DBED COC[C@@H](CO)NC(=O)C(=O)Nc1cc(C#N)ccc1OC 354763525 FSZGEZFEZZMBBM-SNVBAGLBSA-N 307.306 -0.371 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H](C2CC2)N(C)C)C1=O 357251425 CIJMZRDRABSHQB-LLVKDONJSA-N 322.365 -0.580 30 20 DBED N#C[C@@H]1COCCN1S(=O)(=O)C[C@@H]1CCCS(=O)(=O)C1 408193195 QTWPSCKZROEVIT-GHMZBOCLSA-N 322.408 -0.635 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@H]1CCS(=O)(=O)[C@H]1C 431643226 MQYZBOVEIPHTKE-DCAQKATOSA-N 323.440 -0.122 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCC[C@H](O)C2)CC1 439252034 YQVWTKYPRXHYJI-KBPBESRZSA-N 309.410 -0.016 30 20 DBED C#CCN1CCN(C(=O)CN2CCO[C@@]3(CCO[C@@H]3C)C2)CC1 491046265 PDWQYHYASLPSLL-WBVHZDCISA-N 321.421 -0.356 30 20 DBED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)CC(N)=O)c1 491231702 VNXXWLQSLRIUJA-SNVBAGLBSA-N 323.374 -0.408 30 20 DBED C#CCN(C)C(=O)c1ccc2c(c1)S(=O)(=O)N=C1N=CNN12 491793696 MLXIQKZQSOUYMY-UHFFFAOYSA-N 317.330 -0.197 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1CCC2(CC1)COC(=O)N2 495249882 GATZYJFCAOLXMM-JTQLQIEISA-N 310.354 -0.039 30 20 DBED COc1cc(C#N)ccc1NC(=O)C(=O)N1CC(=O)N[C@H](C)C1 516849499 HXNUJBLBJMTLKI-SECBINFHSA-N 316.317 -0.148 30 20 DBED C[C@H](C#N)CNC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C 517685930 BHYTZMCPLBMEDW-MRVPVSSYSA-N 301.306 -0.478 30 20 DBED C[C@H]1CN(CCNC(=O)C(=O)Nc2ccc(C#N)cn2)CCO1 550365061 WSVPVAIARGESKK-NSHDSACASA-N 317.349 -0.271 30 20 DBED C[C@H](C(=O)N[C@H]1CC(=O)N2CCCC[C@@H]12)n1cnc(C#N)n1 554754296 PWBOSXOCLAEUKZ-VWYCJHECSA-N 302.338 -0.020 30 20 DBED CS(=O)(=O)N1CC[C@H](CNC(=O)c2cccc(C#N)n2)C1 589455662 WGJDTJIVWFRTSL-SNVBAGLBSA-N 308.363 -0.035 30 20 DBED C[C@@H](C#N)N(C1CC1)S(=O)(=O)CCCS(=O)(=O)N(C)C 594837736 QMIVYROOVSNVKK-JTQLQIEISA-N 323.440 -0.026 30 20 DBED N#Cc1cc(NC(=O)C(=O)NCCN2CC[C@H](O)C2)ccc1F 600097617 CCQNPUUAHPVXOO-LBPRGKRZSA-N 320.324 -0.181 30 20 DBED CCN(C[C@H](C)C#N)C(=O)CN1CCN(Cc2nc[nH]n2)CC1 602863726 GETFVMBQCASSSF-CYBMUJFWSA-N 319.413 -0.070 30 20 DBED CCC(=O)N[C@H](C)C(=O)N(CCC#N)CCN1CCOCC1 604538439 LKIBPDYEBWJCIX-CYBMUJFWSA-N 310.398 -0.024 30 20 DBED CC#CC[C@H](CO)NC(=O)CN1C(=O)NC(CC)(CC)C1=O 649194107 USDKNJSTXCFCKL-LLVKDONJSA-N 309.366 -0.013 30 20 DBED N#CCN(CC(=O)O)C(=O)c1ccc(F)c(S(N)(=O)=O)c1 739087508 NIMOAJFBABMYOT-UHFFFAOYSA-N 315.282 -0.477 30 20 DBED CCOC(=O)C1=C(CN(CC#N)CC(=O)OC)NC(=O)N[C@@H]1C 746455487 PJEOHZDJRPZGLV-SECBINFHSA-N 324.337 -0.497 30 20 DBED C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)OCCCC#N 756755744 NYMWFMHOUKVQDN-SECBINFHSA-N 300.340 -0.066 30 20 DBED C#CCOCCNC(=O)CN1C(=O)c2ccccc2S1(=O)=O 784766275 MQDYCVQKMRMOHP-UHFFFAOYSA-N 322.342 -0.403 30 20 DBED CSCCONC(=O)C(=O)NCCNc1ncccc1C#N 787787409 KDMKXSLZMWIMCT-UHFFFAOYSA-N 323.378 -0.108 30 20 DBED C#CCn1cc(CNC(=O)Cn2nnc3ccccc3c2=O)cn1 788211148 BVHOUNVSBASVRW-UHFFFAOYSA-N 322.328 -0.062 30 20 DBED C#CCC[C@@H](O)CNC(=O)NCCCN(C)S(=O)(=O)CC 798366287 QKPWGILWHMDYFY-GFCCVEGCSA-N 319.427 -0.269 30 20 DBED C#CCC[C@H](O)CNC(=O)Nc1ncn(CC(=O)N(C)C)n1 799217996 YSPXACBBUWHIOA-JTQLQIEISA-N 308.342 -0.738 30 20 DBED COCCN(CCC#N)S(=O)(=O)NCCC1(C)OCCO1 800108417 AWWWJHQXYCJFOJ-UHFFFAOYSA-N 321.399 -0.164 30 20 DBED CCN(CCC#N)S(=O)(=O)N(CCCO)CC(OC)OC 800112910 GBZPWSGZNZIXIT-UHFFFAOYSA-N 323.415 -0.230 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@H](C)[C@@H]1CN(C)CCO1)[C@@H]1CCCO1 809311421 HTBJSSQKPDHFEG-RFGFWPKPSA-N 323.393 -0.881 30 20 DBED Cn1cnc(C(=O)NS(=O)(=O)Cc2cccc(C#N)c2)n1 810561344 INOVXHVLHUTQDU-UHFFFAOYSA-N 305.319 -0.053 30 20 DBED C#CCCS(=O)(=O)NC(=O)[C@@]12CCC(=O)N1CCS2 810785218 BPCPBYNYPDCUAW-NSHDSACASA-N 302.377 -0.479 30 20 DBED C=CCOCCOC(=O)C(=O)c1cc(S(N)(=O)=O)cn1C 815246081 RXEHGFLMNFNUHC-UHFFFAOYSA-N 316.335 -0.399 30 20 DBED CCOC(=O)C1=C(CN2CC[C@](O)(CC#N)C2)NC(=O)N[C@@H]1C 829969056 MUQYMHGEYPJMGW-MEBBXXQBSA-N 322.365 -0.145 30 20 DBED N#Cc1ccc(NCCNC(=O)NCCN2CCNCC2)nc1 841701913 XGNMGUYSTOCVCR-UHFFFAOYSA-N 317.397 -0.430 30 20 DBED C#CCN(C)CCCNC(=O)c1oc(S(N)(=O)=O)cc1C 854663680 CPRVNRZCFNTEEF-UHFFFAOYSA-N 313.379 -0.080 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O 856683655 HEIXTILLXFNNCO-BJOHPYRUSA-N 321.333 -0.612 30 20 DBED C#CCNC(=O)c1ccc(N2C[C@H]3C(=O)N(C)C(=O)[C@H]3C2)nc1 866164068 KLDVYFXHSKVCET-TXEJJXNPSA-N 312.329 -0.504 30 20 DBED C#CCNC(=O)CN1CCCN(c2ccnc(COC)n2)CC1 892515398 PSPVVQYGKOZHOE-UHFFFAOYSA-N 317.393 -0.116 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)Cn2cncn2)C1 936149178 TTWZNEJIQCPRMB-UPJWGTAASA-N 319.365 -0.414 30 20 DBED Cc1nc(CC(=O)N2CCCN(C(=O)[C@@H](C)C#N)CC2)n[nH]1 940999996 ZIEXHPFCAYWGLR-JTQLQIEISA-N 304.354 -0.124 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCCN(C(=O)C(N)=O)C1 943546919 GAOWITJTYCZUFX-TUAOUCFPSA-N 309.366 -0.440 30 20 DBED CC#CCN1CC[C@@H](NC(=O)Cn2ccc(O)nc2=O)C[C@@H]1C 947510154 JBWSXYOKVNLPSA-QWHCGFSZSA-N 318.377 -0.059 30 20 DBED C#CCCN1C[C@H](CNC(=O)c2cccc(C(N)=O)c2)[C@@H](O)C1 958191163 ULKPVKAEIOZFGI-GJZGRUSLSA-N 315.373 -0.169 30 20 DBED C=CCN1C[C@H](CNC(=O)c2cn3cccnc3n2)[C@@H](O)C1 958213772 APEIELYSIYXVOP-AAEUAGOBSA-N 301.350 -0.062 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2cc(=O)c(OC)c[nH]2)C1 958264840 XWRDEIAHVGQDDN-ZWNOBZJWSA-N 305.334 -0.961 30 20 DBED CC#CCN1C[C@H](O)[C@H](CNC(=O)c2c(C)ncnc2O)C1 958345485 NWCRZSOBQPEPOB-NEPJUHHUSA-N 304.350 -0.464 30 20 DBED COc1c(C(=O)NC[C@H]2CN(CC#N)C[C@@H]2O)c(C)nn1C 958447402 DDQUVHZZGMZNLQ-QWRGUYRKSA-N 307.354 -0.717 30 20 DBED C#CCN1C[C@H](CNC(=O)c2cn(CCC=C)nn2)[C@@H](O)C1 958477108 UPOFFYDDJHMTQN-JSGCOSHPSA-N 303.366 -0.490 30 20 DBED N#CCN1C[C@H]2C(NC(=O)[C@@H]3CC(=O)N(c4cn[nH]c4)C3)[C@@H]2C1 959877217 ROWBPYJLHPTPFS-YUSALJHKSA-N 314.349 -0.667 30 20 DBED C=C(C)CN1C[C@H]2C(NC(=O)CN3CCN(C)C(=O)C3)[C@@H]2C1 960633253 YDHJVXGAUFJDKT-CHWSQXEVSA-N 306.410 -0.617 30 20 DBED CC#CCN1CC[C@H](C)[C@H](NC(=O)Cn2ncn(C)c2=O)C1 967029157 FUABWTGWKLQIAC-QWHCGFSZSA-N 305.382 -0.568 30 20 DBED C#CCN1CC[C@H](C)[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 968375296 UVPQKMLQBRGDHN-AAEUAGOBSA-N 318.377 -0.843 30 20 DBED CS(=O)(=O)CC(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC1CC1 968988596 CZYAYGRWXPQYHR-BETUJISGSA-N 324.402 -0.354 30 20 DBED CCOc1nc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)co1 969038685 IYXCEJVJDXVOAT-NGZCFLSTSA-N 322.321 -0.466 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1ncnn1 969077167 VDMZCLWFWIXYJX-MXWKQRLJSA-N 303.326 -0.965 30 20 DBED C=C(C)CN[C@@H]1CCN(C(=O)CCc2nnc(O)nc2O)C1 969184446 KUPCTPAUQAOUQC-SNVBAGLBSA-N 307.354 -0.018 30 20 DBED CN(CC#N)[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 971526018 SRUUHBHTFPHTIG-NWDGAFQWSA-N 316.365 -0.181 30 20 DBED N#CCN1CCO[C@]2(CCN(C(=O)C[C@H]3COC(=O)C3)C2)C1 972341212 BOBZKSWEONWPBJ-IUODEOHRSA-N 307.350 -0.234 30 20 DBED CC#CCN1CCO[C@@]2(CCN(C(=O)Cc3nc[nH]n3)C2)C1 972632828 WAMXLDPWQZNZHN-HNNXBMFYSA-N 303.366 -0.326 30 20 DBED COc1ncc(C(=O)N[C@H]2[C@@H]3CN(C(=O)[C@@H](C)C#N)C[C@@H]32)cn1 977117639 OCQQYIDVCCJXNS-OHBODLIOSA-N 315.333 -0.169 30 20 DBED C#CCN1C[C@H]2[C@H](CNC(=O)c3ccc(S(N)(=O)=O)o3)[C@H]2C1 978431129 VNHUQVMQPGHRNY-RTCCRHLQSA-N 323.374 -0.532 30 20 DBED C=CCN1CCCN(C(=O)CN2CCS(=O)(=O)CC2)CC1 989654346 BNUJZADQLBSRKH-UHFFFAOYSA-N 315.439 -0.563 30 20 DBED C[C@@]1(C(=O)N2CC(NC(=O)c3c[nH]c(C#N)c3)C2)CCNC1=O 990935345 MNKJDSWRRJFWQY-OAHLLOKOSA-N 315.333 -0.647 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](NC(=O)C(N)=O)CC2(CCOCC2)C1 991122302 IWEBSSOVYCMFQY-MNOVXSKESA-N 322.365 -0.855 30 20 DBED C[C@@H](C#N)C(=O)N1CC(CNC(=O)c2ccc(N(C)C)nn2)C1 1003340000 FBXSFIPVLYZOPU-JTQLQIEISA-N 316.365 -0.110 30 20 DBED C#CCN1CCC(N(C)C(=O)CN2C(=O)NC(=O)C2(C)C)CC1 1006253225 WXHSVHOCSRGQOX-UHFFFAOYSA-N 320.393 -0.127 30 20 DBED N#CCN1CCC2(CC1)C[C@@H]2NC(=O)C1CC(=O)NC(=O)C1 1016878780 ZWQJPERANREMCQ-NSHDSACASA-N 304.350 -0.467 30 20 DBED C=C(Cl)CN[C@H]1C[C@H](NC(=O)CN2CCOCC2=O)C1 1020242419 SIZXMLHZFRHFSL-XYPYZODXSA-N 301.774 -0.166 30 20 DBED C=CCN1CC[C@H](N[C@H]2C[C@H](NC(=O)[C@H]3CCNC3=O)C2)C1=O 1020467507 BASQLRQNFZFZEJ-CYDGBPFRSA-N 320.393 -0.854 30 20 DBED C#CCN1[C@H]2CC[C@H]1CC(NC(=O)CN1CCOCC1=O)C2 1021281098 LKOMHSCNEMCFHJ-KBPBESRZSA-N 305.378 -0.410 30 20 DBED CCOc1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2O)[nH]n1 1024314495 KHWQAUXEMUZINX-JMJZKYOTSA-N 321.337 -0.730 30 20 DBED O=C(N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O)c1cccnn1 1025265429 ZPNBTNIKTYSTSH-CHWSQXEVSA-N 300.318 -0.809 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1[C@@H]2CN([C@H](C)C(=O)NC)C[C@@H]21 1025814123 YYWLOUDJZOWSQH-MRLBHPIUSA-N 318.421 -0.735 30 20 DBED C#CCCN1[C@H]2CC[C@H]1CN(C(=O)CN1CC(=O)N(C)C1=O)C2 1029552154 OQKGSXNNUPDQKV-STQMWFEESA-N 318.377 -0.421 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CC(=O)NC 1032410280 UKWMKZNVBRMJQT-FQUUOJAGSA-N 307.394 -0.001 30 20 DBED C#CCN1CC[C@H](N(CC)C(=O)c2cn(C)c(=O)nc2O)C1 1034036013 BKQQMOZKTPMFJK-NSHDSACASA-N 304.350 -0.345 30 20 DBED CC#CCN1CCO[C@H](CNC(=O)c2ccc(=O)n(C)c2)C1 1035428349 WVRXKIQIOGXYKL-CQSZACIVSA-N 303.362 -0.161 30 20 DBED CN(C)C(=O)CN1C[C@H]2C[C@H]1[C@H]2NC(=O)c1ccc(C#N)[nH]1 1037366203 VNGBEMUTOVIUEK-LQJRIPTKSA-N 301.350 -0.223 30 20 DBED CC#CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)CN1C(=O)NC(C)(C)C1=O 1037702255 PJFUIUFYBNWKLI-NTZNESFSSA-N 318.377 -0.471 30 20 DBED CC#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC(=O)NC(=O)N1 1039445076 ADQRDTZKWPBPQW-AGIUHOORSA-N 318.377 -0.327 30 20 DBED N#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCS(=O)(=O)N1 1039473088 UXAFHWNTMIWNED-WOPDTQHZSA-N 312.395 -0.733 30 20 DBED N#Cc1cnc(N2C[C@@H](O)[C@H](NC(=O)c3nccs3)C2)cn1 1041142954 BRBNSFOXDROPMS-NXEZZACHSA-N 316.346 -0.216 30 20 DBED N#Cc1nccc(N2C[C@@H](O)[C@H](NC(=O)[C@@]3(F)CCOC3)C2)n1 1041303696 CSYLVVJLDHJDBX-GPCCPHFNSA-N 321.312 -0.857 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2occc2C)C1 1041472428 RBROSHSXFHFFAN-LBPRGKRZSA-N 320.345 -0.071 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)c2cccn2C)C1 1042036189 YLQWCHZTGOCWGN-UHFFFAOYSA-N 307.350 -0.469 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)[C@H](F)C(C)C)C1 1042043900 VHRRUVXCUGQWOD-GFCCVEGCSA-N 302.346 -0.127 30 20 DBED C=C[C@@H](C)[C@H](C)C(=O)N1CC(O)(CNC(=O)CC(=O)NC)C1 1042741219 IAJUKJBSFVONTO-MNOVXSKESA-N 311.382 -0.730 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)[C@H](CC)NC(C)=O)C1 1042801538 MISIJEUCMZYKJQ-ZDUSSCGKSA-N 323.393 -0.606 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CN(C)C[C@@H]2C)C1 1042801875 XKMBVQDMQWNGPU-UONOGXRCSA-N 321.421 -0.323 30 20 DBED Cc1ocnc1C(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042958895 ORDLZWPQRBFLFI-UHFFFAOYSA-N 303.318 -0.300 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCC(=O)N(C)C2)C1 1043435384 CQQTXDWHCGXZSJ-GFCCVEGCSA-N 323.393 -0.490 30 20 DBED C=CCN1CC[C@H](N2CC(N(C)C(=O)c3nc[nH]n3)C2)C1=O 1044070711 PAYLNYGESYKRPF-NSHDSACASA-N 304.354 -0.652 30 20 DBED C#CCN1CCC(C(=O)N2CC[C@@H](NCC(N)=O)C[C@@H]2C)CC1 1044871797 LXSQDNHDNITSSU-DZGCQCFKSA-N 320.437 -0.214 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2cc(OCC)n[nH]2)C1 1047425549 MENAVXPIQOOBFL-STQMWFEESA-N 306.366 -0.051 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3c(c2)nnn3C)C1 1047461212 WWIAZWAHLBGXQN-STQMWFEESA-N 316.365 -0.334 30 20 DBED C=CCOCC(=O)N(C)[C@H]1CN(C(=O)Cc2ccc[nH]2)C[C@@H]1O 1048558805 WPIMWKAKCZVGPA-KBPBESRZSA-N 321.377 -0.210 30 20 DBED Cc1c[nH]c(CC(N)=O)c1C(=O)N1C[C@@H]2CN(CC#N)C[C@@H]2C1 1049073467 PMUOLNBCSYNTCK-TXEJJXNPSA-N 315.377 -0.122 30 20 DBED C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1c(O)nnc1O 1049868802 XWJNWLIOHZVKIJ-QWRGUYRKSA-N 307.354 -0.059 30 20 DBED C=CCOCC(=O)N[C@H](C)[C@H]1CCN(C(=O)CNC(N)=O)C1 1049984070 QNELPBYVOCFDMZ-MNOVXSKESA-N 312.370 -0.790 30 20 DBED C=CCOCC(=O)N1CC[C@H]([C@H](C)NC(=O)CNC(C)=O)C1 1050296710 HVPFICWWVICHSQ-AAEUAGOBSA-N 311.382 -0.322 30 20 DBED CCC(=O)N1CCC[C@@H](C(=O)NC[C@@H]2COCCN2CC#N)C1 1050931859 QTOXOSGLNQHHQC-ZIAGYGMSSA-N 322.409 -0.024 30 20 DBED N#CCN1CCOC[C@@H]1CNC(=O)[C@@H]1CCCS(=O)(=O)C1 1051144706 WTIKCDXZWPQAKK-NEPJUHHUSA-N 315.395 -0.848 30 20 DBED C[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1CNC(=O)c1nc[nH]n1 1052981674 SUOWBBNNEAOSDT-NXEZZACHSA-N 312.337 -0.031 30 20 DBED N#CCN1CC2(C1)CN(C(=O)c1cnc3n1CCC3)CCO2 1053291332 JUWQSUYEUKAPDZ-UHFFFAOYSA-N 301.350 -0.120 30 20 DBED Cn1ccc(=O)c(C(=O)N2CCOC3(CN(CC#N)C3)C2)c1 1053335717 KWQWSFDIUSSATH-UHFFFAOYSA-N 302.334 -0.564 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)c3cn(C)nc3COC)CO2)C1 1053851687 YFEKJPJNMWSWQF-GFCCVEGCSA-N 318.377 -0.227 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)c3cnn4c3OCCC4)CO2)C1 1053858805 RMQCALRGNJTTSJ-LLVKDONJSA-N 317.349 -0.238 30 20 DBED C=C(Cl)CN1CC2(C[C@H](NC(=O)[C@H]3CNC(=O)N3)CO2)C1 1053909065 BFTHHFOKUPPKIQ-VHSXEESVSA-N 314.773 -0.620 30 20 DBED C=C[C@@H](C)[C@@H](C)C(=O)NC1CCN(CCNC(=O)C(N)=O)CC1 1055629467 AZKSLJNMTWTOTN-VXGBXAGGSA-N 324.425 -0.373 30 20 DBED N#Cc1nccc(N2C[C@H]3[C@H](NC(=O)Cn4cncn4)[C@H]3C2)n1 1056217642 PHVRBLYSWYTSIZ-MSRIBSCDSA-N 310.321 -0.809 30 20 DBED Cn1cncc1CC(=O)NC1[C@H]2CN(c3ccnc(C#N)n3)C[C@H]12 1056254498 QWFJRRFUUZWAIM-RYUDHWBXSA-N 323.360 -0.125 30 20 DBED N#Cc1ccc(N2C[C@H]3[C@H](NC(=O)Cc4ncc[nH]4)[C@H]3C2)nn1 1056277648 UPAHTIXKNGTGDK-HBYGRHMLSA-N 309.333 -0.135 30 20 DBED CC(=O)N[C@H](C)C(=O)N(CCO)CCNC(=O)C#CC(C)C 1056884809 AIHAQDLRHBPHKR-GFCCVEGCSA-N 311.382 -0.893 30 20 DBED CN(c1ccnc(C#N)n1)[C@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 1056910100 LAHCLFIKATWMJY-VHSXEESVSA-N 316.321 -0.506 30 20 DBED CCNC(=O)CCC(=O)N(CCO)CCNC(=O)C#CC1CC1 1057184154 GRUYSSSUIYSETB-UHFFFAOYSA-N 323.393 -0.747 30 20 DBED N#Cc1nccnc1NC1CCN(C(=O)[C@@H]2CCNC2=O)CC1 1057399076 RBTSKGMVCBDEMG-LLVKDONJSA-N 314.349 -0.113 30 20 DBED O=C(CCn1ccnn1)NCCN(CCO)C(=O)C#CC1CC1 1057531781 ZGCXPLHSLKLYDM-UHFFFAOYSA-N 319.365 -0.981 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)C[C@@H]1CCCOC1 1057649126 UMMKYCGNMUSGMX-OLZOCXBDSA-N 311.382 -0.100 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)[C@H]1CCCNC1=O 1057882405 ODJSBASKZOEPBT-ZDUSSCGKSA-N 323.393 -0.747 30 20 DBED CN1CCOC[C@H]1C(=O)N[C@H]1CCN(c2cncc(C#N)n2)C1 1058318861 HREJTVWWNSRTCQ-AAEUAGOBSA-N 316.365 -0.626 30 20 DBED CN1C[C@H](C(=O)N[C@@H]2CCN(c3cncc(C#N)n3)C2)NC1=O 1058504026 DHSOYWFQMALYBH-MWLCHTKSSA-N 315.337 -0.933 30 20 DBED N#Cc1ccc(NC[C@@H]2CCN(C(=O)Cn3ncnn3)C2)nn1 1060927680 PRVQACXJGWURIR-JTQLQIEISA-N 313.325 -0.705 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCC2(CC1)CN(C(=O)C(N)=O)C2 1061112063 UMAWBTGEDOJKPZ-AWEZNQCLSA-N 309.366 -0.750 30 20 DBED C=C(C)CCC(=O)NC[C@H]1COCCN1C(=O)[C@H]1CCNC1=O 1061633712 YEKUVGHECIYEEE-STQMWFEESA-N 323.393 -0.178 30 20 DBED C#CCO[C@H](C)C(=O)NC1(CNC(=O)[C@@H](C)NC(C)=O)CCC1 1062462387 XFTJSIXTDCEOEE-VXGBXAGGSA-N 323.393 -0.296 30 20 DBED N#Cc1cnc(N2CCO[C@@H](CNC(=O)c3ccon3)C2)cn1 1063615824 FBZZKFOFKSWRHS-NSHDSACASA-N 314.305 -0.029 30 20 DBED N#Cc1cnc(N2CCO[C@@H](CNC(=O)c3cnn[nH]3)C2)cn1 1063673098 JZHROILBNUNLDF-JTQLQIEISA-N 314.309 -0.898 30 20 DBED C=CCCC(=O)N1CCO[C@H](CNC(=O)[C@@H]2CCC(=O)N2)C1 1064955396 GVVNTLQPTUHXHN-NEPJUHHUSA-N 309.366 -0.425 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)C2CN(C(C)=O)C2)CCO1 1065088259 WPZYJKYOWKLNRC-CQSZACIVSA-N 323.393 -0.226 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CN(C(=O)C(C)(C)C(N)=O)CCO1 1065262569 KYKUURWALRMSNU-NXEZZACHSA-N 310.354 -0.999 30 20 DBED N#Cc1ccc(N2C[C@H]3CN(C(=O)Cn4ncnn4)C[C@H]3C2)nc1 1066029804 LUIXJAOBEHVEAD-BETUJISGSA-N 324.348 -0.465 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CCCN(C(=O)CNC(C)=O)CC1 1066166810 OVROMKOXOSJDOZ-TZMCWYRMSA-N 323.393 -0.342 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC[C@H](NC(=O)c2cnn[nH]2)CC1 1066301016 NFSRZKYXMAXQRH-RYUDHWBXSA-N 319.365 -0.046 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@@H](CNC(=O)c3nc[nH]n3)C2)cn1 1067675482 CEKHGOJTCDZSAJ-JOYOIKCWSA-N 313.321 -0.702 30 20 DBED N#Cc1nccnc1N1C[C@@H](O)[C@@H](CNC(=O)c2cnco2)C1 1067686159 AESVUZNKIFJRAI-GXSJLCMTSA-N 314.305 -0.437 30 20 DBED CC(C)C#CC(=O)N1CC2(CC[C@@H](CNC(=O)CC(N)=O)O2)C1 1068544007 VQNWFXYRJRXBQM-LBPRGKRZSA-N 321.377 -0.603 30 20 DBED C=CCN1CCn2ncc(CNC(=O)[C@H]3CNC(=O)N3)c2C1 1069871650 JQWZBGNXYFROAY-LLVKDONJSA-N 304.354 -0.818 30 20 DBED CN1CC[C@H](CC(=O)N[C@@H]2CN(CC#N)C[C@@H]2n2ccnn2)C1 1070076795 USUUUSCUPVGTAM-MCIONIFRSA-N 317.397 -0.515 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)c2ncc[nH]2)CCOCC1 1070106591 PSBMORSBEXLQKI-JTQLQIEISA-N 305.338 -0.035 30 20 DBED C#CCC1(C(=O)N[C@@H]2CCCN(C(=O)CNC(N)=O)C2)CCC1 1070405452 OXPAPNBPZVCKDW-GFCCVEGCSA-N 320.393 -0.045 30 20 DBED Cn1cncc1[C@@H]1CN(C(=O)Cn2ccnc2)C[C@H]1NCC#N 1070723738 NJPPWFBIXXZATC-CHWSQXEVSA-N 313.365 -0.276 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)[C@H]2CCN(C(C)=O)C2)C1 1073871350 HGAYPSBTXKNJAD-LSDHHAIUSA-N 307.394 -0.305 30 20 DBED C#CCCN1CCCO[C@@H](CNC(=O)c2ccc(=O)n(C)n2)C1 1073880385 HVLQNWNYFDXQOS-ZDUSSCGKSA-N 318.377 -0.376 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCN(C(=O)C2CC2)C[C@H]1C 1073890153 GBRISLDTURDXFX-DGCLKSJQSA-N 305.378 -0.111 30 20 DBED N#CCN1CCCO[C@@H](CNC(=O)c2ccc(C(N)=O)nc2)C1 1073908503 MTTYCWGFCJJQNR-LBPRGKRZSA-N 317.349 -0.475 30 20 DBED C=CCN1CCO[C@@H]2CCN(C(=O)CN3C(=O)CCC3=O)C[C@H]21 1074403519 XLTQJRWAPZHPQQ-CHWSQXEVSA-N 321.377 -0.377 30 20 DBED C[C@@H](CCNC(=O)CCCCNC(N)=O)NC(=O)[C@@H](C)C#N 1077240386 RYVBMNSMUDUCIW-QWRGUYRKSA-N 311.386 -0.004 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)C(=O)N2CCC(C)CC2)C1 1077789048 ZMOWABWCPQRAQW-ZIAGYGMSSA-N 309.410 -0.018 30 20 DBED C=CCCn1cc(C(=O)N[C@@H]2CN(C[C@@H](C)OC)C[C@H]2O)nn1 1077812676 MHHTWFBVULEHNV-YRGRVCCFSA-N 323.397 -0.336 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCC(=O)N2)C1 1077826911 WWVVSSZREKDBAD-HBNTYKKESA-N 301.774 -0.431 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCCN(C)C2=O)C1 1077993388 OMMNOSWHIZOYRS-BFHYXJOUSA-N 309.410 -0.018 30 20 DBED Cc1ccc(=O)n(CC(=O)N[C@@H](C)CCNC(=O)[C@@H](C)C#N)n1 1078132004 GKPBUEZWBXGDJK-QWRGUYRKSA-N 319.365 -0.278 30 20 DBED C#CCOCCC(=O)N(CC)C1CN(C(=O)c2nc[nH]n2)C1 1079772574 YVTUWZCIFWRVCU-UHFFFAOYSA-N 305.338 -0.483 30 20 DBED C=CCCC(=O)NC1(CO)CCN(C(=O)[C@@H]2CCC(=O)N2)CC1 1080768469 XAOBHOBFTBONPC-LBPRGKRZSA-N 323.393 -0.299 30 20 DBED N#CCSCC(=O)NC[C@H]1CN(C(=O)c2ccon2)C[C@@H]1O 1081285768 CHNDRTUUGNIKBY-ONGXEEELSA-N 324.362 -0.520 30 20 DBED CC(C)C#CC(=O)N1C[C@H](CNC(=O)c2cn[nH]c2)[C@@H](O)C1 1081295927 XABCRVHPVDQDOQ-STQMWFEESA-N 304.350 -0.382 30 20 DBED C#CCCCC(=O)N1C[C@H](CNC(=O)Cc2ccon2)[C@@H](O)C1 1081366089 UXURQDFLGVVQMV-JSGCOSHPSA-N 319.361 -0.044 30 20 DBED CCN(CC)CC(=O)N1C[C@H](O)[C@H](CNC(=O)C#CC2CC2)C1 1081470543 BNATYQDALYCDDY-CABCVRRESA-N 321.421 -0.323 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CCCCC(=O)N1 1083188792 MNGNMXMKEFBFOR-FRRDWIJNSA-N 306.366 -0.520 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)c2ccn(CCN(C)C)n2)C1 1083469428 SHLIVHFHOFDCET-CABCVRRESA-N 321.425 -0.204 30 20 DBED N#CCN[C@H]1C[C@@H](CNC(=O)[C@H]2CCc3nnc(O)n3C2)C1 1086125293 URABJHZLXJANFL-GARJFASQSA-N 304.354 -0.446 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CC[C@@H](C)N(c2nccnc2C#N)C1 1089117139 YZUFKLABKVTKON-ZYHUDNBSSA-N 316.365 -0.042 30 20 DBED C#CCN1CC[C@H](NC(=O)CN2C(=O)CNC2=O)CC(C)(C)C1 1089555144 IRRJLWFELQWSHQ-LBPRGKRZSA-N 320.393 -0.222 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)c2cccn3nnnc23)[C@@H](O)C1 1090295963 UDQVIQVZZINKOS-OLZOCXBDSA-N 316.365 -0.135 30 20 DBED CC[C@H](OC)C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1O 1090373930 PTQQJMJLMGAMTQ-UTUOFQBUSA-N 305.338 -0.561 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2cn(C)nc2OC)[C@H](O)C1 1090487522 WDHIYXAMOKWWSC-CHWSQXEVSA-N 306.366 -0.383 30 20 DBED C#CCOc1ncccc1C(=O)N[C@@H]1CCN(CC#N)C[C@@H]1O 1090735967 GCUPCTJZEZOVKZ-KGLIPLIRSA-N 314.345 -0.218 30 20 DBED CCCCOCC(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1091078216 XYADDQJZRWVKAJ-NEPJUHHUSA-N 319.365 -0.169 30 20 DBED C#CCNC1CC(CNC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 1091172176 YCAJPXVZZGADKP-UHFFFAOYSA-N 314.353 -0.575 30 20 DBED CCc1nc(C#N)cc(NCCNC(=O)Cn2nccn2)n1 1093902787 BWVVVLGCOPJLPX-UHFFFAOYSA-N 300.326 -0.270 30 20 DBED CCc1nc(C#N)cc(NCCNC(=O)[C@]2(C)CNC(=O)C2)n1 1094006180 ZQEVRKKANXMUCO-HNNXBMFYSA-N 316.365 -0.035 30 20 DBED CN1C(=O)CC[C@H]1CC(=O)NCCNc1cncc(C#N)n1 1094055450 GEAITBJDGIXUSO-NSHDSACASA-N 302.338 -0.113 30 20 DBED CCc1nc(C#N)cc(NCCCNC(=O)CNC(N)=O)n1 1094298979 GEEDLIOXAMTLCQ-UHFFFAOYSA-N 305.342 -0.503 30 20 DBED C=CCN1CCN(C(=O)c2ccn(C)n2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094680500 UVMZPZRZLPSIGD-QWHCGFSZSA-N 324.406 -0.471 30 20 DBED C[C@]1(C(=O)NCCCN=c2cc[nH]c(C#N)n2)CCC(=O)NC1 1094714636 JYBUHMVSXLIYRQ-HNNXBMFYSA-N 316.365 -0.395 30 20 DBED COCCOCC(=O)NCCCN(C)c1cnc(C#N)cn1 1095507093 HDZOWMIMDQTABX-UHFFFAOYSA-N 307.354 -0.046 30 20 DBED CN(CCCNC(=O)[C@H]1CCNC(=O)C1)c1cnc(C#N)cn1 1095516053 IQKHWBWPBLGHQW-NSHDSACASA-N 316.365 -0.183 30 20 DBED CN(CCCNC(=O)C(N)=O)c1cc(C#N)ccc1[N+](=O)[O-] 1095719252 XJBZVVATRGTQRN-UHFFFAOYSA-N 305.294 -0.106 30 20 DBED COCCCOCC(=O)N[C@H]1C[C@@H](N=c2cc[nH]c(C#N)n2)C1 1097216615 KWCSVRMRMWBSML-TXEJJXNPSA-N 319.365 -0.118 30 20 DBED N#CCN(CCO)C1CCN(C(=O)[C@H]2CCC(=O)NC2)CC1 1098416842 LUNWSUCJPLCGNH-LBPRGKRZSA-N 308.382 -0.679 30 20 DBED C#CCN(CCO)C1CCN(C(=O)[C@@H]2CCC(=O)NC2)CC1 1098416949 RSFLCBCBYVLOIH-CYBMUJFWSA-N 307.394 -0.569 30 20 DBED CC#CCN(CCO)C1CCN(C(=O)[C@@H]2CCC(=O)N2C)CC1 1098454372 DFKPRWQHMPKPLF-HNNXBMFYSA-N 321.421 -0.084 30 20 DBED CC(=O)N[C@H](C)C(=O)N1CC[C@@H](n2cc(CNCC#N)nn2)C1 1098607965 JQJQVPGZUIUQOS-ZWNOBZJWSA-N 319.369 -0.811 30 20 DBED C=CCN[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1C(F)(F)F 1099292172 JAWAAJOIBAFRIM-HTQZYQBOSA-N 304.276 -0.011 30 20 DBED C#CCOCCC(=O)N1C[C@H]2CC[C@H]1[C@@H]1CN(CC(N)=O)C[C@@H]21 1099480224 CEQHOACPGHFDGI-BARDWOONSA-N 319.405 -0.320 30 20 DBED C=CCN1CC[C@@H](NC(=O)C2(S(C)(=O)=O)CCC2)[C@H](O)C1 1100058197 OVQHXXDXDAZKQC-VXGBXAGGSA-N 316.423 -0.309 30 20 DBED CC#CCNC1CC(CNC(=O)CCS(=O)(=O)NC)C1 1100327743 WDAUGFLKGLNWRL-UHFFFAOYSA-N 301.412 -0.567 30 20 DBED CC#CCN1CC[C@H](Oc2ccnc(CNC(=O)C(N)=O)c2)C1 1101096161 ZPGDOXPWSDJWEK-AWEZNQCLSA-N 316.361 -0.341 30 20 DBED CCCN(CCNC(=O)CNC(=O)NC)c1cnc(C#N)cn1 1101255012 WNACFWGVIXINNN-UHFFFAOYSA-N 319.369 -0.390 30 20 DBED CNC(=O)NC(C)(C)C(=O)N(C)CCNc1ccc(C#N)nn1 1101644949 ZNUFTXYIQVHKQY-UHFFFAOYSA-N 319.369 -0.074 30 20 DBED COCC(=O)N(C)CCN1CCN(c2ccnc(C#N)n2)CC1 1102414200 QVPUQRDKRYMURU-UHFFFAOYSA-N 318.381 -0.425 30 20 DBED CC(=O)N[C@H](C)C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(C#N)nn1 1102538189 OHLDPLXXBBJDMQ-ICCXJUOJSA-N 314.349 -0.338 30 20 DBED CC[C@@H](CNC(=O)CCNC(=O)NC)Nc1cncc(C#N)n1 1103065626 IGCFNSNUDPJTND-JTQLQIEISA-N 319.369 -0.026 30 20 DBED C=CCN1C[C@@H](C)[C@H](CCNC(=O)CNC(=O)CNC(C)=O)C1 1103155238 IUOBUMVSPSIFHD-TZMCWYRMSA-N 324.425 -0.501 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1CCNC(=O)CS(=O)(=O)N(C)C 1103684594 PCGJUJFUVGUCJQ-VXGBXAGGSA-N 316.427 -0.524 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](C)CNC(=O)[C@@H]2CNC(=O)N2)n1 1104183423 HOIIQEKMXZQDMP-KWQFWETISA-N 317.353 -0.498 30 20 DBED C#CCNCc1cn(C2CN(C(=O)C[C@H]3CCOC3)C2)nn1 1105197465 ULDHANCIEIIVOB-GFCCVEGCSA-N 303.366 -0.189 30 20 DBED CC(C)[C@H](CNC(=O)c1cnn(C)n1)N=c1cc[nH]c(C#N)n1 1105203748 RACVIWATLWNWQC-JTQLQIEISA-N 314.353 -0.235 30 20 DBED C#CCNCc1cn(C2CN(C(=O)[C@@H](CC)NC(C)=O)C2)nn1 1105333184 GSUGAWQHELQZFB-CQSZACIVSA-N 318.381 -0.701 30 20 DBED CNC(=O)CC(=O)N1C[C@@]2(C[C@@H](O)[C@H](NCC#N)C2)[C@H]1C(C)C 1105623548 RFGFQNCFDRTQII-CZPYZCIJSA-N 322.409 -0.388 30 20 DBED CC(C)(C)C(=O)C(=O)NC[C@@H](O)CN=c1cc[nH]cc1C#N 1105765776 FUPQECHOTQEXLU-NSHDSACASA-N 304.350 -0.121 30 20 DBED CC(C)C#CC(=O)NC[C@@H](O)CNc1ncnc2c1nnn2C 1105811545 CVNZCXAKDQFCBW-SNVBAGLBSA-N 317.353 -0.693 30 20 DBED C[C@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)Cn1cnnc1O 1106287265 HZURLFRPECWCTJ-SECBINFHSA-N 316.325 -0.926 30 20 DBED C[C@H](CCNc1cncc(C#N)n1)NC(=O)[C@H]1COC(=O)N1 1106314016 UPXABTWNBKJXGV-PSASIEDQSA-N 304.310 -0.237 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)[C@H](C)NS(C)(=O)=O)C[C@H]1C 1106701853 JXCVXVQXCOCZBA-FRRDWIJNSA-N 315.439 -0.369 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)CO[C@H]1CCOC1 1106856441 CRVQHDAXFJWMQQ-LBPRGKRZSA-N 319.365 -0.164 30 20 DBED CN1CCOC[C@@H]1C(=O)NC/C=C\CNc1cncc(C#N)n1 1107161546 JYXICWWNAQXSMR-XQJDBVBESA-N 316.365 -0.237 30 20 DBED C[C@@]1(CNC(=O)c2cc3n(n2)CCO3)CN(CC#N)CCO1 1107999961 LZBFVZZTINBZMP-CQSZACIVSA-N 305.338 -0.380 30 20 DBED C[C@H](CNc1ccc(C#N)nn1)NC(=O)[C@H]1CCC(=O)NC1 1108204209 VAASSDOPJJNUEP-ZJUUUORDSA-N 302.338 -0.209 30 20 DBED CN(C)S(=O)(=O)CC(=O)N1C[C@H]2C[C@H](NCC#N)C[C@H]1C2 1108810437 YYECEQDLGLYLLN-SDDRHHMPSA-N 314.411 -0.630 30 20 DBED C[C@@H](CN(C)c1ccnc(C#N)n1)NC(=O)[C@@H]1COCCN1C 1108943434 RSWSMIFELIMGME-RYUDHWBXSA-N 318.381 -0.380 30 20 DBED CN(CCCNc1ccc(C#N)nn1)C(=O)Cn1cncn1 1109448803 NLSPSROWMUBNJP-UHFFFAOYSA-N 300.326 -0.100 30 20 DBED C=CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCn1ncn(C)c1=O 1109557954 DWPKCTGQBANAOQ-AGIUHOORSA-N 305.382 -0.121 30 20 DBED N#Cc1cnc(NC[C@@H](NC(=O)[C@@H]2COC(=O)N2)C2CC2)cn1 1109832200 BBFMGCBKCBRXFG-MNOVXSKESA-N 316.321 -0.237 30 20 DBED Cn1cnc(C(=O)N[C@H](CN=c2cc[nH]c(C#N)n2)C2CC2)n1 1109836106 ITVBSWRGEXPVCD-SNVBAGLBSA-N 312.337 -0.481 30 20 DBED CN(C)CCOCC(=O)NCC1(Nc2nccnc2C#N)CC1 1110190441 XCLOXDWIOUDWJP-UHFFFAOYSA-N 318.381 -0.013 30 20 DBED CNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H](C)C#N 1110394670 ISEUZHWLWQVVAG-DBIOUOCHSA-N 307.354 -0.677 30 20 DBED C[C@@]1(NC(=O)Cn2nccn2)CCN(c2cnc(C#N)cn2)C1 1110790097 RBVJDOXORALVJZ-CQSZACIVSA-N 312.337 -0.275 30 20 DBED N#Cc1nccnc1N1CCC(F)(F)[C@@H](CNC(=O)C(N)=O)C1 1111013927 LACPMLAVSCSDKO-QMMMGPOBSA-N 324.291 -0.589 30 20 DBED N#Cc1nccc(N2C[C@H]3C[C@H](NC(=O)CC(N)=O)C[C@H]2C3)n1 1111153604 MRPSWTULVPZWBG-GARJFASQSA-N 314.349 -0.303 30 20 DBED N#Cc1ccc(NCCN(CCO)C(=O)C2(C(N)=O)CC2)nc1 1111557806 YVPJRGPMXYXFLK-UHFFFAOYSA-N 317.349 -0.548 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@@H]2CN(Cc3cscn3)C[C@@H]12 1114169882 KUUDNWRFKIWIOY-VXGBXAGGSA-N 318.402 -0.171 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@@]34COC[C@@H]3C4)[C@H]2C1 1114306071 FOZFECCLQPWROD-VOZNZKSSSA-N 305.378 -0.629 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)[C@H]3CN(C)C[C@@H](C)O3)[C@H]2C1 1114453257 KSCJLSSPVNDCCO-LJIZCISZSA-N 321.421 -0.598 30 20 DBED C[C@H](NC(N)=O)C(=O)N[C@H]1C[C@H](CN=c2cc[nH]cc2C#N)C1 1114768009 IIRPGGVWXBSYKW-NHCYSSNCSA-N 316.365 -0.261 30 20 DBED CCC[C@@H](NC(N)=O)C(=O)N[C@H]1[C@@H]2CN(CC#CCOC)C[C@@H]21 1115176385 OFSIZGQCXPUHDL-RQJABVFESA-N 322.409 -0.480 30 20 DBED NC(=O)[C@@H]1CCCCN1C(=O)CCN/C(O)=C1/N=CC=CC1=O 1116174531 KEENEMUUHPHICW-ZSNVJIKNSA-N 320.349 -0.231 30 20 DBED C=CCNC(=O)[C@H](C)S(=O)(=O)c1nncn1CCOC 1117105990 YIMKFGDDZSDKJR-VIFPVBQESA-N 302.356 -0.611 30 20 DBED CC(=O)N[C@H](C)C(=O)NC[C@H](CO)Nc1nc(C)cc(C#N)n1 1121010049 JGMWBXNKIHVCEK-BXKDBHETSA-N 320.353 -0.930 30 20 DBED Cc1cc(=N[C@@H](CO)CNC(=O)c2cnc(C)[nH]2)c(C#N)c[nH]1 1121236117 VQBMJKSOSNMMIG-GFCCVEGCSA-N 314.349 -0.082 30 20 DBED C=CCn1c([C@@H](C)CO)nnc1N1CCO[C@@H](C(=O)NC)C1 1121682888 XICCVAOQPAMVTD-WDEREUQCSA-N 309.370 -0.489 30 20 DBED COCCN(CCNC(=O)CNC(C)=O)c1ncccc1C#N 1126180794 AIJIVVLSYDKMTF-UHFFFAOYSA-N 319.365 -0.342 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)c1cnnc(C)c1 1126250906 ORXUKCJZRHGEBQ-UHFFFAOYSA-N 318.381 -0.133 30 20 DBED C=C[C@](C)(O)CC(=O)NCCN[C@@H](C)C(=O)NC(=O)NCC 1126360414 OCWKGVNOWXRGFN-HZMBPMFUSA-N 314.386 -0.747 30 20 DBED COCCN(CCNC(=O)CCN(C)C)c1cnc(C#N)cn1 1126498923 PWXYZHVGWBZNFF-UHFFFAOYSA-N 320.397 -0.131 30 20 DBED COCC#CCNCCNC(=O)[C@@H]1CNC(=O)c2ccccc21 1129639909 AKFROXVGCOSHOY-OAHLLOKOSA-N 315.373 -0.131 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1cc(=O)c(OC)co1 1131357789 IXYIMDNOXUKXHM-UHFFFAOYSA-N 309.322 -0.730 30 20 DBED COCC#CCN1C[C@H](NC(=O)CS(C)(=O)=O)CC[C@@H]1C 1131870234 GDIDJAFAURGDPT-QWHCGFSZSA-N 316.423 -0.350 30 20 DBED C=CCOCCNCCNC(=O)C[C@H]1CCCS1(=O)=O 1131873569 FFHPFMMXWOFVAH-GFCCVEGCSA-N 304.412 -0.138 30 20 DBED CN1C[C@H](C(=O)NCCNCC#Cc2ccccc2)NC1=O 1132382306 HUVFZFGWJKKXBF-CQSZACIVSA-N 300.362 -0.233 30 20 DBED C=CCn1cc(C(=O)NCCNCc2ccc(OC)nn2)nn1 1134980264 BMGVCJFMJKURMW-UHFFFAOYSA-N 317.353 -0.218 30 20 DBED C=CCN[C@H](C)C[C@@H](C)NC(=O)c1cn(C)c(=O)n(C)c1=O 1135613290 FAEWEBAGGDAQBJ-GHMZBOCLSA-N 308.382 -0.244 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)c2cc(C(N)=O)c[nH]2)C1=O 1135809997 VWPDMPDJGRIIGJ-LLVKDONJSA-N 319.365 -0.780 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)[C@H]1C[C@]12CCOC2 1147004415 WVRPQEOWBFFAET-CJNGLKHVSA-N 322.409 -0.119 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC2(CCN([C@@H]3CCNC3=O)C2)C1 1147529826 BMICVPYPHYAFKW-QWHCGFSZSA-N 305.378 -0.553 30 20 DBED Cc1nn(C(C)C)cc1C(=O)NCCNCC(=O)NCC#N 1147579364 GVRCEENMUPLMTH-UHFFFAOYSA-N 306.370 -0.268 30 20 DBED CN(C)[C@H]1CCC[C@@H](C(=O)NCCNCC(=O)NCC#N)C1 1147824508 KPDPFTQSDFFMNE-OLZOCXBDSA-N 309.414 -0.548 30 20 DBED CC1(C(=O)NC[C@H]2CN(CC(=O)NCC#N)CCCO2)CC1 1149746954 YXRDCJJHVGVRID-LBPRGKRZSA-N 308.382 -0.367 30 20 DBED C=CCNC(=O)CNCCCNC(=O)c1cn(C)ccc1=O 1162270501 DFRXGSRLKHXMLF-UHFFFAOYSA-N 306.366 -0.603 30 20 DBED CC#CCNCC1(CCNC(=O)CS(=O)(=O)NC)CC1 1168204755 NNTJPRUOLLLGDS-UHFFFAOYSA-N 301.412 -0.565 30 20 DBED C=CCNC(=O)CNCCCNC(=O)c1ccc2nn[nH]c2c1 1175801963 VCBGXEKBQFRIFJ-UHFFFAOYSA-N 316.365 -0.030 30 20 DBED C=CCO[C@@H](C)C(=O)NCCCNC[C@@H](O)Cn1cccn1 1177277374 QWYVLNLGBPMSJJ-UONOGXRCSA-N 310.398 -0.069 30 20 DBED C[C@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)Cc1cnn(C)c1 1178302230 IBSIHFGORVDRKI-AAEUAGOBSA-N 318.381 -0.819 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)[C@@H](C)CC(N)=O)[C@H]1C 1179299873 CFSLGXTWMAFZTN-SRVKXCTJSA-N 310.398 -0.621 30 20 DBED C#CCNC[C@]1(C)CN(C(=O)Cn2ncn(C)c2=O)C[C@H]1C 1181952416 YMVWHVCEIWACCT-IUODEOHRSA-N 305.382 -0.711 30 20 DBED N#CCNC(=O)CN[C@@H]1CCN(C(=O)CCCn2ccnc2)C1 1188354079 NEMITECUHPOFHL-CYBMUJFWSA-N 318.381 -0.506 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@H](N(C)CC(=O)N2CCC2)C1 1190094933 OSNCUANJAGCJIQ-KGLIPLIRSA-N 307.394 -0.210 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C[C@H](C)CCC)C1 1191687311 OFNCJHGGRGLGAN-MGPQQGTHSA-N 309.410 -0.277 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)[C@H]2CC[C@@H](C)O2)C1 1192445247 KZSFRJLIVZPQOX-HZSPNIEDSA-N 307.394 -0.164 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H](N(C)CCOCCO)C2)nn1 1192723275 FPXZXCNKERMFPQ-ZDUSSCGKSA-N 323.397 -0.381 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2nnc(CC)o2)C[C@H]1O 1192885702 DUJQODDPKRWQGJ-VXGBXAGGSA-N 322.365 -0.667 30 20 DBED CN(CC(=O)NCC#N)[C@@H]1CCN(C(=O)[C@@]2(C)CCOC2)C1 1193056512 JUPFHGXDTDBFTA-DOMZBBRYSA-N 308.382 -0.415 30 20 DBED C#CCC1(C(=O)N[C@@H]2CN(CC(=O)NCCC)C[C@H]2O)CCC1 1193684565 BDJRPEUFKDGNFI-ZIAGYGMSSA-N 321.421 -0.133 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)c2[nH]cnc2CC)C1 1198232776 AHLZUHFRLWSXJD-CHWSQXEVSA-N 308.382 -0.050 30 20 DBED C=CCCOCC(=O)N1CCCN(Cc2nnnn2C)CC1 1198316194 VLGZQBHGJGEVCA-UHFFFAOYSA-N 308.386 -0.163 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2n[nH]c(C)n2)C[C@H]1O 1199318416 SVKCYNZRCUCGLU-YUSALJHKSA-N 309.370 -0.634 30 20 DBED C#CCNC[C@@H]1CN(C(=O)[C@@H]2CCc3nn[nH]c3C2)CCCO1 1201849915 ZYAKHVQDCKRJNC-CHWSQXEVSA-N 317.393 -0.250 30 20 DBED C=CCNC(=O)[C@H](C)NC1CCN(C(=O)CCCC(N)=O)CC1 1204076497 OIHIRDHFXULONI-LBPRGKRZSA-N 324.425 -0.087 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)C[C@H]2CCCO2)C1 1207450960 KIJOPUJBCNANQW-UONOGXRCSA-N 307.394 -0.115 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCCN(C(=O)c2nc[nH]n2)C1 1210205968 IDDLKSRKGVNIBB-WDEREUQCSA-N 304.354 -0.863 30 20 DBED C=CCOCC(=O)N1C[C@@H](N[C@@H](C)c2nnnn2C)[C@H](C)C1 1214331779 RKBSFMDWQNTNKQ-GRYCIOLGSA-N 308.386 -0.090 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2ccnnc2)C[C@H]1C 1215660712 SEXHBGDYRWGKQV-MBNYWOFBSA-N 315.377 -0.335 30 20 DBED CC#CCN[C@@H]1CN(C(=O)[C@H]2CCN(C)S2(=O)=O)C[C@H]1C 1215864862 APMDCOUQQKWHOC-JHJVBQTASA-N 313.423 -0.520 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)/C(C)=C\CC)C1 1219298315 QJZAXXYXGFSKRQ-BMYQMPQMSA-N 307.394 -0.358 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(CC(CC)CC)C[C@@H]1O 1219492663 UUPAIDPLCJXVAF-KGLIPLIRSA-N 309.410 -0.277 30 20 DBED CCN(CC)C(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)C#CC2CC2)C1 1219596135 HEEOCYQBAJELNG-YUELXQCFSA-N 321.421 -0.182 30 20 DBED C#CCC1(C(=O)N[C@@H]2CN(CCCO)C[C@@H]2O)CCOCC1 1219784093 PBJJAHDWIIPFRR-KGLIPLIRSA-N 310.394 -0.650 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)c2ccc(OC)nc2)C1 1219970578 SVEDMVDHHSGZDY-KGLIPLIRSA-N 319.361 -0.485 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1CCN(C[C@@H](O)COC)CC1 1223182437 DVWRJYGZEQWENF-DZGCQCFKSA-N 312.410 -0.140 30 20 DBED C#CCN1CCC(CNC(=O)[C@H](CCC(N)=O)NC(C)=O)CC1 1224854932 GSLAECGFNXVXOH-AWEZNQCLSA-N 322.409 -0.782 30 20 DBED Cc1cc(C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NCC#N)n[nH]1 1225103809 DJJHXEAYQKVBIS-VXGBXAGGSA-N 318.381 -0.012 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)OCC#C 1226187479 KSVMQIKWBRDNIX-RBSFLKMASA-N 319.405 -0.209 30 20 DBED N#CCN1CCS(=O)(=O)[C@H](CCNC(=O)[C@@H]2CC2(F)F)C1 1230460499 QUAZIUGFDMXJER-ZJUUUORDSA-N 321.349 -0.230 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@@H]1CN(C)C(=O)CNC(=O)OC 1230925940 RGAGRILFYLNTCT-VXGBXAGGSA-N 324.381 -0.987 30 20 DBED N#CCNC(=O)CN1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 1265279462 SSMPVJYGMNZYPB-LLVKDONJSA-N 300.322 -0.670 30 20 DBED C#CCNC[C@@H]1CCCCN1C(=O)CS(=O)(=O)CCOC 1317187147 DBRVOXBBGFNHDK-ZDUSSCGKSA-N 316.423 -0.349 30 20 DBED C=C[C@@H](COC)NC(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1 1320322821 UNNSVXRLFOBPPQ-UWVGGRQHSA-N 316.383 -0.596 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)NC2CCN(CC3CC3)CC2)CCO1 1321647395 XLNPZGWUVOJFAV-CQSZACIVSA-N 320.393 -0.272 30 20 DBED C#C[C@@H](NC(=O)C(=O)NCC(=O)N1CCCCC1)[C@@H]1CCCO1 1322515361 WQBMNQPOSAUMFM-OLZOCXBDSA-N 321.377 -0.588 30 20 DBED N#CCn1cc(NC(=O)C(=O)N2CCC[C@H](OCCO)C2)cn1 1324300930 COUTYOVQELPHOA-LBPRGKRZSA-N 321.337 -0.655 30 20 DBED CCS(=O)(=O)CCN(C)C(=O)C(=O)Nc1ccc(C#N)cn1 1324502931 PLDZDWWXLABCRK-UHFFFAOYSA-N 324.362 -0.215 30 20 DBED CCOC(=O)Cn1cccc(NC(=O)C(=O)NCCC#N)c1=O 1326671978 MRELJGMSEZIFGK-UHFFFAOYSA-N 320.305 -0.620 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N[C@@H](C)[C@@H]2CCOC2)nn1 1328097183 IDUVEJNSWZCLRC-WDEREUQCSA-N 307.354 -0.379 30 20 DBED C=C[C@H](CO)NC(=O)C(=O)Nc1ccc(C(=O)NC)cc1C 1328315650 KRUPBZCNCGVTQB-LLVKDONJSA-N 305.334 -0.044 30 20 DBED C#CCn1cc(CNC(=O)CCCCCS(N)(=O)=O)cn1 1328676436 LIJROANQAMKAEL-UHFFFAOYSA-N 312.395 -0.019 30 20 DBED C#CCOCCNC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 1329099108 ODZLMDXMCQNXOX-CQSZACIVSA-N 307.394 -0.161 30 20 DBED C[C@@H](O)CCN(C)C(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1332019822 SZHHBIWFFSGIEG-DGCLKSJQSA-N 308.382 -0.586 30 20 DBED CC#CC[C@H](CO)NC(=O)C(=O)Nc1cc(C)c(=O)n(C)c1 1332179220 JDQBOVRGWIKIHG-LLVKDONJSA-N 305.334 -0.477 30 20 DBED N#CCSCC(=O)NCCNS(=O)(=O)Cc1ccon1 1336205555 QQJSPIJSGXGMCG-UHFFFAOYSA-N 318.380 -0.533 30 20 DBED C#Cc1ccc(NC(=O)C(=O)N2CCN3C(=O)NC[C@@H]3C2)cc1 1337140953 DTVDCVFMYWAAHR-CYBMUJFWSA-N 312.329 -0.158 30 20 DBED C=CCn1c(CCO)nnc1N1CCO[C@H](CNC(C)=O)C1 1339880711 WGLLYRNPAVKGJT-GFCCVEGCSA-N 309.370 -0.660 30 20 DBED C=CCn1c([C@H](C)O)nnc1N1CC[C@@H]2OCC(=O)N[C@H]2C1 1340308497 IOYBSDQSZWULNL-DCAQKATOSA-N 307.354 -0.389 30 20 DBED C#C[C@H](C)N(C)c1nnc(C2=NO[C@@H](CO)C2)n1CCOC 1341236108 INRJIUBKOJWGPE-WDEREUQCSA-N 307.354 -0.132 30 20 DBED Cc1ccc(C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)n1C 1341786868 KBIQCSQYFRWTHQ-LLVKDONJSA-N 323.374 -0.087 30 20 DBED Cc1noc(C)c1CCNC(=O)C(=O)N1CCO[C@H](C#N)C1 1341939131 YZYDSIMUKUCYPS-LLVKDONJSA-N 306.322 -0.299 30 20 DBED C[C@@H](C#N)N(C)C(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 1361843985 SEHAWJMEPJAHGK-VIFPVBQESA-N 318.337 -0.806 30 20 DBED CC(=O)N[C@@H]1CCN(CCS(=O)(=O)c2ccc(C#N)cn2)C1 1364447027 STCGPAIYQHNEPV-CYBMUJFWSA-N 322.390 -0.063 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)CCn1cnnn1 1371566112 QSTYCFQVGCMHKM-QJPTWQEYSA-N 319.369 -0.234 30 20 DBED CC(=O)NC1(C(=O)NC[C@@H](O)CNC(=O)[C@H](C)C#N)CCCC1 1389091967 DFXHNQWGLPWIAR-PWSUYJOCSA-N 324.381 -0.812 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1cn2ccccc2n1 1392163118 QIBVCHKCZOCBSR-QWRGUYRKSA-N 315.333 -0.299 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H](C)S(C)(=O)=O)C1 1396536951 DYUATTDFFJHRTL-ZRUFSTJUSA-N 315.395 -0.410 30 20 DBED CC[C@H](NC(C)=O)C(=O)NC1CN(C(=O)c2cc(C#N)c[nH]2)C1 1398702331 HTNNWPQYKAXSKN-LBPRGKRZSA-N 317.349 -0.258 30 20 DBED CC[C@H](CNC(=O)c1cnn(C)n1)NC(=O)c1ccc(C#N)[nH]1 1399023897 RZPGLXMTENXFSV-SECBINFHSA-N 315.337 -0.047 30 20 DBED C[C@@H](C(=O)N(C)Cc1nnc2n1CCC2)n1cnc(C#N)n1 1411622578 PRKZQTXQGNGKEF-VIFPVBQESA-N 300.326 -0.093 30 20 DBED C[C@@](CO)(NC(=O)CCn1cc(C#N)c(O)nc1=O)C1CC1 1411911830 SYXAZTVLYKRPLX-AWEZNQCLSA-N 306.322 -0.512 30 20 DBED COC(=O)C[C@@H](C)CC(=O)NCCn1cc(C#N)c(O)nc1=O 1412376493 YKQMYPPATDAVMB-VIFPVBQESA-N 322.321 -0.474 30 20 DBED CC[C@H]1CN(C(=O)Cn2cc(C#N)c(O)nc2=O)CCCO1 1412878124 KBEIBEAERUTHAM-NSHDSACASA-N 306.322 -0.152 30 20 DBED Cc1cc(C)c(C(=O)NC[C@@H](O)CNC(=O)[C@H](C)C#N)c(O)n1 1416774461 GSMUICGDZRWWLK-KOLCDFICSA-N 320.349 -0.229 30 20 DBED C[C@@H]1CC[C@H](CNC(=O)CCn2cc(C#N)c(O)nc2=O)O1 1417926961 LVIHGTYSOJSICZ-MWLCHTKSSA-N 306.322 -0.106 30 20 DBED CC(=O)N1CC[C@@](C)(C(=O)N2CC(CNC(=O)[C@@H](C)C#N)C2)C1 1430429076 DPGWAIZWWVWDPT-MEDUHNTESA-N 320.393 -0.021 30 20 DBED Cc1cncc(CC(=O)NC[C@@H](O)CNC(=O)[C@@H](C)C#N)c1 1431559143 FGGKIJMJGBXVNX-WCQYABFASA-N 304.350 -0.315 30 20 DBED C[C@@H](C#N)C(=O)NCC(C)(C)CN(C)C(=O)CS(C)(=O)=O 1442581465 PMUOTKOIGDUDGF-JTQLQIEISA-N 317.411 -0.209 30 20 DBED CCN(CCC#N)C(=O)CN1CC(CNC(=O)[C@@H]2CCOC2)C1 1443591215 XWWLYJXCPSQZRG-CQSZACIVSA-N 322.409 -0.167 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)CCc2cncn2C)C1 1445674358 UWNIHTGCYYHSFO-UHTWSYAYSA-N 319.365 -0.800 30 20 DBED C[C@@H](CNC(=O)CCn1ncn(C)c1=O)CNC(=O)[C@H](C)C#N 1451616119 XCGFJTANNQWGCB-WDEREUQCSA-N 322.369 -1.000 30 20 DBED C[C@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)[C@@H]1CN(C)CCO1 1452473078 RQNOJJFZNIXOMV-MFKMUULPSA-N 319.365 -0.549 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)C[C@H]2CCC(=O)NC2)CC1 1453425255 QNQMZJMYSBGLMO-WDEREUQCSA-N 306.366 -0.173 30 20 DBED CCn1cc(C#N)c(=O)n(CC(=O)Nc2cnccn2)c1=O 1458916099 WNJJTLKPXMQJJB-UHFFFAOYSA-N 300.278 -0.670 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CCN(C(=O)CCS(C)(=O)=O)C1 1493362802 PLQDWHAQINLGSQ-ZJUUUORDSA-N 301.368 -0.702 30 20 DBED CNC(=O)NCC(=O)N[C@](C)(CNC(=O)[C@@H](C)C#N)C1CC1 1499647158 TUNSZZMDCOLECP-LKFCYVNXSA-N 309.370 -0.524 30 20 DBED C#CCNC(=O)CN1CC[C@]2(NC(=O)CNC(=O)O)CCC[C@H]12 1573310760 CFWWDOWZTZDNKH-XHDPSFHLSA-N 322.365 -0.883 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)CC(C)(C)CN)CC1 1574707543 VKZZMTOZLQHBDS-UHFFFAOYSA-N 308.426 -0.355 30 20 DBED CC[C@H](CNC(=O)[C@H](C)C#N)N=c1cc[nH]c(-c2nn[nH]n2)n1 1576765301 AODXWNQNRMJJPN-RKDXNWHRSA-N 315.341 -0.455 30 20 DBED CCCNC(=O)CCNc1cnc(C#N)c(-c2nn[nH]n2)n1 1590637172 SRXQOMZJPFLTAP-UHFFFAOYSA-N 301.314 -0.143 30 20 DBED N#C[C@@]1(F)CCN(C(=O)NCCn2cnc(-c3nn[nH]n3)n2)C1 1592670437 AKEYGFOGJNUISU-NSHDSACASA-N 320.292 -0.895 30 20 DBED CN(C)CCN1C(=O)C[C@H](N2CCC(C#N)(C(=O)O)CC2)C1=O 1598230863 JEGQIIUMUNPJJL-NSHDSACASA-N 322.365 -0.634 30 20 DBED N#Cc1ccc(C[C@@H](C#N)C(=O)OCC(=O)NCC(=O)O)cc1 1601098994 DHJDANYUTXGPGW-LBPRGKRZSA-N 315.285 -0.015 30 20 DBED C#CCCS(=O)(=O)NC(=O)c1cc(-c2nn[nH]n2)cn1C 1602714697 ZEXDEEDUYZNOFW-UHFFFAOYSA-N 308.323 -0.712 30 20 DBED C=CC[C@H](OC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)C(=O)O 1602844436 BSKHHOOZIIIJIR-FBHFSLSBSA-N 323.301 -0.279 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N[C@@]1(CC(=O)O)CCCOC1 1603129363 DSZWTEYOORGFSE-CMPLNLGQSA-N 319.383 -0.064 30 20 DBED CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)c1ccc(C#N)nc1)C(=O)O 1607377078 VMUSJTWACYBOPP-GXFFZTMASA-N 323.330 -0.429 30 20 DBED N#CC[C@]1(O)CCN(S(=O)(=O)[C@H]2CC[C@@H](C(=O)O)C2)C1 1608181072 FZSAKMUINDZYJC-SCVCMEIPSA-N 302.352 -0.080 30 20 DBED N#Cc1ccc(NCC(=O)N2CCNC(=O)[C@@H]2CC(=O)O)nc1 1608208880 QZJRLLJZLCTFTE-JTQLQIEISA-N 317.305 -0.833 30 20 DBED C#CCN(C)CCCNC(=O)N1CCN(C)C[C@@H](C(=O)O)C1 1609137451 VRRIMSTWFIRVSR-CYBMUJFWSA-N 310.398 -0.401 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)c2cncc(C#C)c2)C1 1665574069 MWCRULMOSJYZNZ-OAHLLOKOSA-N 310.357 -0.384 30 20 DBED CC(C)C#CC(=O)NCCN(C)CC(=O)NC[C@@H]1CCOC1 1753048638 ZRKVZPRVCVDAFZ-AWEZNQCLSA-N 309.410 -0.154 30 20 DBED C=C(C)CN(CC)C(=O)CNC[C@](C)(NC(=O)C(N)=O)C1CC1 1753523612 NLRXDXKQYNJWHH-INIZCTEOSA-N 324.425 -0.229 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@@H](C)N(C)C(=O)C1=CCOCC1 1753686846 XSZYCAHTIWOVOA-CHWSQXEVSA-N 307.394 -0.093 30 20 DBED C#CCNC(=O)CNC/C=C/CNC(=O)Cc1ncccc1F 1754174575 VTKGEVPYODIPKS-ONEGZZNKSA-N 318.352 -0.225 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@H]1CNC(=O)CCc1ccon1 1754489007 OKFXENSWFSILIK-OCCSQVGLSA-N 318.377 -0.064 30 20 DBED C#CCNC(=O)CN1CC[C@@](C)(NC(=O)c2ccnnc2C)C1 1754676844 UDNCMPHFWOSVDM-MRXNPFEDSA-N 315.377 -0.271 30 20 DBED C#CCNC(=O)CNC[C@@]1(C)CCN(C(=O)[C@@H](C)NC(C)=O)C1 1754688399 UUAWBPBWKUICSN-MLGOLLRUSA-N 322.409 -0.911 30 20 DBED C#CCNC(=O)[C@H](C)N1CC(O)(CNC(=O)c2cscn2)C1 1754764543 HBRLGGSXYJPOFM-JTQLQIEISA-N 322.390 -0.943 30 20 DBED C[C@@H](CNC(=O)C[C@H]1COC(=O)C1)N(C)CC(=O)NCC#N 1755297642 LKJFLRNBSPWKCU-WDEREUQCSA-N 310.354 -0.984 30 20 DBED C#CCN1CCCCC[C@@H]1CNC(=O)CN1C(=O)CN(C)C1=O 1755367275 DYCKILIESXNCGB-CYBMUJFWSA-N 320.393 -0.126 30 20 DBED C[C@@H](CC(=O)N1CC[C@@]2(CN(CC#N)CCO2)C1)NC(N)=O 1755400626 JIEJPGXKZGKYCA-SMDDNHRTSA-N 309.370 -0.740 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H](CO)CNC(=O)c1[nH]ccc1C 1755624977 BPNIYDBFAUVVIW-RYUDHWBXSA-N 306.366 -0.859 30 20 DBED COCC#CCN(C)C[C@H](O)CN(C)C(=O)[C@H](C)n1cncn1 1755799245 KEYUNPWAZUAKQX-KBPBESRZSA-N 323.397 -0.760 30 20 DBED C=CCC(C)(C)C(=O)N[C@@H](CO)CNC(=O)c1cnn(C)c1N 1756513085 AFQHCMRVQNCLCN-SNVBAGLBSA-N 323.397 -0.189 30 20 DBED C=C[C@](C)(CC)C(=O)NC[C@H](CO)NC(=O)c1cnn(C)c1N 1756547830 KRNMVRJNGBIXSS-MEBBXXQBSA-N 323.397 -0.189 30 20 DBED C=CCCC(=O)N[C@@H]1CN(C(=O)c2cnn(C)c2N)C[C@@H]1O 1757160930 KTAVXNJPFZSMDO-MNOVXSKESA-N 307.354 -0.730 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(C(=O)c2cnco2)C[C@@H]1O 1757174164 UZJOTVDMVCOVLT-MXWKQRLJSA-N 307.306 -0.986 30 20 DBED C=C(C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2COCCO2)C[C@@H]1O 1757179498 VHUZQXLZGDRHST-AGIUHOORSA-N 312.366 -0.554 30 20 DBED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC(C)(C)O)[C@H]2C1 1786655032 ZIBDOMRKNPMQDP-AVGNSLFASA-N 308.378 -0.240 30 20 DBED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC(C)(C)O)C[C@@H]21 1790790666 ZBEFPSDADAPVBO-AVGNSLFASA-N 308.378 -0.240 30 20 DBED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)no3)C[C@@H]21 1790792458 CAEZXPIYSQYGOZ-NHCYSSNCSA-N 319.317 -0.393 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)C2 1800454779 BEGRYTNFKVEMDU-WGJBLAJRSA-N 318.373 -0.223 30 20 DBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCCOC)CCO2 1830484011 PIJJINAFEOVIRS-INIZCTEOSA-N 324.377 -0.497 30 20 DBED C=C1CC(C(=O)N2CC3(CCCN3C(=O)Cn3cnnn3)C2)C1 1843082557 DKRKWQLKDHHUSV-UHFFFAOYSA-N 316.365 -0.157 30 20 DBED C#CC(=O)N1CCCC12CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1845958875 GQZJRSGPILVYSO-UHFFFAOYSA-N 303.278 -0.232 30 20 DBED C#CCCC(=O)N1CCCC12CN(C(=O)CNC(=O)N(C)C)C2 1846995843 OHUCJJSGWVRXHN-UHFFFAOYSA-N 320.393 -0.126 30 20 DBED C#CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](C)CS(C)(=O)=O 1847821478 OKVXKFWUPWPZJX-SRVKXCTJSA-N 312.391 -0.498 30 20 DBED C[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccc(C#N)cc1F 125236944 HSEYJVOOFDKKOH-MRVPVSSYSA-N 304.281 -0.017 30 20 DBED CNC(=O)[C@@H](NC(=O)CN1CCO[C@@H](C#N)C1)c1ccccc1 245936678 SMJPVWKIOOAZRC-ZFWWWQNUSA-N 316.361 -0.186 30 20 DBED C/N=C(/NCC(=O)N(C)C)N[C@@H]1CCC[C@@H](C(=O)N(C)C)C1 262264027 FLMAKOMWKMIYGY-VXGBXAGGSA-N 311.430 -0.113 30 20 DBED CC(=O)NCCN([C@H](C)C(=O)O)S(=O)(=O)CCCC#N 262453787 RIDAOGBAVMWZNT-SECBINFHSA-N 305.356 -0.469 30 20 DBED NC(=O)c1ccc(C/N=C(\N)NCCCN2CCOCC2)cc1 264153364 ZXIYGWMPHCQHEJ-UHFFFAOYSA-N 319.409 -0.088 30 20 DBED C#Cc1cccc(NC(=O)C(=O)NC[C@H]2CN(C)CCN2C)c1 264807160 JJOBNVXHOGCYJO-HNNXBMFYSA-N 314.389 -0.032 30 20 DBED Cc1cccc(S(=O)(=O)NCCN2CCNC(=O)C2)c1C#N 272668883 JVNHKYXNAREIER-UHFFFAOYSA-N 322.390 -0.423 30 20 DBED C#CCN(CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1)C1CC1 274159072 LZWSGXURHAXZTK-JTQLQIEISA-N 313.379 -0.903 30 20 DBED C#CCn1ccc(CN(CC)C(=O)CN(C)S(C)(=O)=O)n1 279177962 SCCBADWDQMHMPP-UHFFFAOYSA-N 312.395 -0.244 30 20 DBED C[C@H](C(=O)N1CC(C)(C#N)C1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 281751039 JVGGBVGEBOWIAA-OOCWMUITSA-N 317.345 -0.091 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H](C)CCOC)C1=O 286171541 BTXBVYPBKAAQED-NEPJUHHUSA-N 311.382 -0.227 30 20 DBED C=C[C@@H](CO)NC(=O)NC1C[C@@H]2CC[C@H](C1)N2CC(=O)N(C)C 292174149 IUDGOCONMJLRTH-FUDCBSFHSA-N 324.425 -0.084 30 20 DBED CCN(C)C(=O)[C@@H](Nc1c(C#N)c(=O)n(C)c(=O)n1C)C(C)C 296358074 RRKVRKAGYKDYPJ-NSHDSACASA-N 321.381 -0.130 30 20 DBED C[C@H](CN1CCCC1=O)/N=C(/O)N1CCS(=O)(=O)CC1 329697387 YHFBDYZNIZOUQT-SNVBAGLBSA-N 303.384 -0.358 30 20 DBED CCC(=O)N1CC[C@H](/N=C(/O)N2C[C@@H]3OCCN(C)[C@H]3C2)C1 329995640 NNMCKBYVDZGGNC-AVGNSLFASA-N 310.398 -0.074 30 20 DBED Cn1cnc2c1c(=O)n(C/C(O)=N/[C@@H]1[C@H]3COC[C@H]31)c(=O)n2C 330105949 KEESSCRRICMQTK-MBTKJCJQSA-N 319.321 -0.965 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCN(CCOC)CC1 336928477 ZAEXWPVQEOWUFU-CYBMUJFWSA-N 318.443 -0.023 30 20 DBED CCOC(=O)[C@@](C)(O)CNS(=O)(=O)N(C)C[C@@H](C)C#N 336953596 WTZAYWIALHLMTF-ONGXEEELSA-N 307.372 -0.774 30 20 DBED COCCOCCOCCS(=O)(=O)N1CCOC[C@@H]1C#N 338426721 SMESKSIQGHKKFY-LBPRGKRZSA-N 322.383 -0.780 30 20 DBED COCC1(C#N)CCN(C(=O)NCC(=O)N2CCOCC2)CC1 341444578 ABPBXFNHVIMKHZ-UHFFFAOYSA-N 324.381 -0.193 30 20 DBED C[C@H](O)CN1CCN(C(=O)Nc2ccn(CCC#N)n2)CC1 345205544 UHUHSKSIABAQMO-LBPRGKRZSA-N 306.370 0.327 30 20 DBED CN(CC(=O)NCC#N)C[C@H]1C[C@H](F)CN1Cc1ccnn1C 348098980 GLRLBNUJTUETEN-GXTWGEPZSA-N 322.388 -0.096 30 20 DBED N#Cc1ccc(NCC(=O)N2CCN(CC(N)=O)CC2)cc1 354827912 GZGGYRCPACLOAE-UHFFFAOYSA-N 301.350 -0.400 30 20 DBED C[C@H]1CCN(C(=O)C(=O)Nc2ccn(CCC#N)n2)C[C@H]1O 357726154 CBLSBKPVKHMDGS-WDEREUQCSA-N 305.338 -0.035 30 20 DBED CC(C)CN1CCN(C(=O)NCC(=O)NCC#N)[C@@H](C)C1=O 358269174 CXUQIKYQCRGAQS-NSHDSACASA-N 309.370 -0.476 30 20 DBED N#CCCN(CCN1CCOCC1)C(=O)c1nccnc1N 358989978 KXAZBYGPACIDOW-UHFFFAOYSA-N 304.354 -0.253 30 20 DBED C=CCOC[C@H](NC(=O)c1ccc2nnc(O)n2c1)C(=O)OC 360721342 KOUBVIAFUITJLH-JTQLQIEISA-N 320.305 -0.091 30 20 DBED N#CCC1(O)CN(C(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)C1 408282486 XJVGCCAHPOTWLD-UKJIMTQDSA-N 315.329 -0.720 30 20 DBED C=CCOC[C@H](NS(=O)(=O)c1cnn(C)c1C)C(=O)OC 489812913 NGUOCHOOLKNNLF-JTQLQIEISA-N 317.367 -0.249 30 20 DBED C#CCNS(=O)(=O)c1ccc(C(=O)NC2(C(N)=O)CC2)cc1 490819400 HAQIRUYXCYFWOI-UHFFFAOYSA-N 321.358 -0.654 30 20 DBED C#CCN1CCN(C(=O)CN(C)[C@H]2CCN(CC=C)C2=O)CC1 490831398 TXKYIXMNPQTZFH-HNNXBMFYSA-N 318.421 -0.518 30 20 DBED C#CCNC(=O)CCNCCCn1nc2n(c1=O)CCCC2 491622642 GQXHLURDZOZHBS-UHFFFAOYSA-N 305.382 -0.500 30 20 DBED CS(=O)(=O)N1CC[C@H](NS(=O)(=O)CC2(C#N)CC2)C1 518544759 HMUASFWTGGWCGS-VIFPVBQESA-N 307.397 -0.757 30 20 DBED C=C(C)COCCNC(=O)N1CC[C@@H](S(=O)(=O)NC)C1 533535236 CLYIMPCHFLYRBK-LLVKDONJSA-N 305.400 -0.088 30 20 DBED N#CC[C@]1(O)CCN(C(=O)NCCNC(=O)c2cc[nH]n2)C1 592008321 XMKNKTHJWXDNBZ-ZDUSSCGKSA-N 306.326 -0.800 30 20 DBED CCn1cc(C#N)c(=O)n(CCc2nnn(C(C)(C)C)n2)c1=O 594884206 ZODPKNVCIAFMMK-UHFFFAOYSA-N 317.353 -0.114 30 20 DBED Cn1c(NCc2nc(C(N)=O)cs2)c(C#N)c(=O)n(C)c1=O 596486108 DUPSVGYTYURXPO-UHFFFAOYSA-N 320.334 -0.877 30 20 DBED CN(C)c1nc(N)nc(C(=O)NC2(C#N)CCSCC2)n1 597440303 GAWSLCCFJGXEBJ-UHFFFAOYSA-N 307.383 0.039 30 20 DBED COCCOCCN(CCO)S(=O)(=O)N(C)C[C@@H](C)C#N 599394084 QWIAUBUGMHMUOQ-LBPRGKRZSA-N 323.415 -0.720 30 20 DBED N#Cc1ncn(CCNC(=O)N2CC(OCC(F)F)C2)n1 602313223 OULVPRNCJHGETF-UHFFFAOYSA-N 300.269 -0.175 30 20 DBED CC(C)[C@H](C#N)N1CCN(C(=O)c2cn(C)c(=O)nc2O)CC1 609458785 YHOCKAAZVIFBSB-LBPRGKRZSA-N 319.365 -0.208 30 20 DBED CN(CCCNS(=O)(=O)CC1(C#N)CC1)S(C)(=O)=O 613261729 RSIBNRKBBODGLB-UHFFFAOYSA-N 309.413 -0.509 30 20 DBED COC(=O)c1ccc(=NC(=O)N=c2ccn(CCC#N)[nH]2)[nH]n1 619628868 CEMURXXAYNIZCF-UHFFFAOYSA-N 315.293 -0.139 30 20 DBED C=CCNC(=O)CNC(=O)[C@H](CO)NC(=O)c1ccc(F)cc1 651670375 GCFYSKZZXUKEKA-LBPRGKRZSA-N 323.324 -0.665 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(Cc2cc(C)n(C)n2)c1=O 676031253 OHGXZNILPXDFIA-UHFFFAOYSA-N 317.349 -0.366 30 20 DBED C[C@@]1(c2cccc(C#N)c2)NC(=O)N(CC(=O)NCC#N)C1=O 728148705 SEDAJVCXJQLCMM-HNNXBMFYSA-N 311.301 -0.035 30 20 DBED C#CCCN1CCN(C(=O)c2cn(CC(=O)N(C)C)nn2)CC1 744364631 VKUIMEUMKQPCKT-UHFFFAOYSA-N 318.381 -0.853 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)[C@@H](CC)N1CCCC1=O 745701131 XSZXVORKWUSWSR-SNVBAGLBSA-N 311.338 -0.058 30 20 DBED C#CCN1CCN(C(=O)CONC(=N)C2CCOCC2)CC1 749874437 QJFIGIXSDJJAJS-UHFFFAOYSA-N 308.382 -0.311 30 20 DBED C#C[C@@H](NC(=O)c1ccnc2c(C(N)=O)cnn12)[C@@H]1CCCO1 775346494 BYVFSJSOCGXOOR-PWSUYJOCSA-N 313.317 -0.261 30 20 DBED C#CCC[C@@H](O)CNC(=O)CN(C)C(=O)[C@@H](C)n1cccn1 799077534 JVLCTOUESYYYOI-CHWSQXEVSA-N 306.366 -0.207 30 20 DBED C#CCC[C@H](O)CNC(=O)Cn1c(=O)nc(O)c2ccccc21 799199647 AFECHHBDOHEESM-NSHDSACASA-N 315.329 -0.007 30 20 DBED N#CCNC(=O)CNC(=O)NCC(=O)NCc1ccccc1 807552691 FZDJQRMVFZGIAP-UHFFFAOYSA-N 303.322 -0.758 30 20 DBED C#C[C@H](NC(=O)C(=O)NCC1([S@](C)=O)CC1)[C@H]1CCCO1 809313760 XLGRKEJGNOTHOX-FLCAKIMKSA-N 312.391 -0.689 30 20 DBED CN(C(=O)Cn1cnc(-c2nn[nH]n2)n1)c1cccc(C#N)c1 821571885 JMQLOIKVHBHGMF-UHFFFAOYSA-N 309.293 -0.007 30 20 DBED C#C[C@H](NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)[C@H]1CCCO1 860942422 JDWFBOWYQUZTGW-RWMBFGLXSA-N 314.407 -0.045 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@H](OCC)C2)C1=O 885345866 BLDKCYVKCZAYQR-JTQLQIEISA-N 309.322 -0.399 30 20 DBED C#CCNC(=O)COC(=O)[C@@H]1CSCN1C(=O)OCC 924503526 AZGLGEYPDQRCSW-VIFPVBQESA-N 300.336 -0.190 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@H]3C=C[C@H]2O3)CC1 931879904 QEXLICIFFHCUGR-MGPQQGTHSA-N 303.362 -0.777 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCN(C(=O)Cn3ncnn3)CC2)C1 944942826 ZWBRQRLSJMGCSZ-NSHDSACASA-N 317.353 -0.716 30 20 DBED C=CCn1cccc1C(=O)N[C@H]1[C@H]2C[C@H]1N(C(=O)C(N)=O)C2 947354382 SQDHBZFROMFFOI-WCQGTBRESA-N 302.334 -0.512 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CNC(=O)c2cnn(C)n2)CC1 949390567 GVRMLABOZTTXJH-SNVBAGLBSA-N 304.354 -0.057 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@H]1CNC(=O)[C@@H]1CC(=O)NC(=O)N1 949993514 BDCPNQKDOOYVEW-UWVGGRQHSA-N 322.365 -0.486 30 20 DBED CN(C(=O)c1cc(C#N)c[nH]1)C1CN(C(=O)[C@H]2COC(=O)N2)C1 953989677 ADBBKUGCQXHNSG-LLVKDONJSA-N 317.305 -0.722 30 20 DBED O=C1N[C@H](C(=O)NC[C@@H]2CCCN2C(=O)C#CC2CC2)CO1 956004113 BDRDGCNLXCDEPV-RYUDHWBXSA-N 305.334 -0.385 30 20 DBED C=CC(C)(C)C(=O)N1CCC[C@H]1CNC(=O)[C@@H]1CNC(=O)N1 956136119 QKXQKPGZBRVAIC-QWRGUYRKSA-N 308.382 -0.013 30 20 DBED CN1CC[C@H](C(=O)N(C)[C@H]2CN(C(=O)C#CC3CC3)C[C@@H]2O)C1 958849667 ADWGGWUWLURHPY-KKUMJFAQSA-N 319.405 -0.618 30 20 DBED C=CCCN1C[C@H]2C(NC(=O)CN3CC(=O)N(C)C3=O)[C@@H]2C1 962288569 OULJMCWQVFSEPI-GHMZBOCLSA-N 306.366 -0.497 30 20 DBED CCn1cc(C(=O)NC[C@H]2COCCN2C(=O)[C@H](C)C#N)nn1 964326735 MCYHCHKDOSIBNJ-MNOVXSKESA-N 320.353 -0.585 30 20 DBED C[C@H](C#N)C(=O)N1CCOC2(CN(C(=O)C#CC3CC3)C2)C1 965475351 VWZWKKCSFWMDFF-GFCCVEGCSA-N 301.346 -0.001 30 20 DBED C#CCCN1CCO[C@]2(CCN(C(=O)Cc3n[nH]c(C)n3)C2)C1 972381001 KRMZWSWBLQBLDO-MRXNPFEDSA-N 317.393 -0.018 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)c3cnc(O)n3C)C[C@H]21 974981736 KRBUNHCUYGXRJH-CKYFFXLPSA-N 317.349 -0.042 30 20 DBED CN1CC[C@H](C(=O)N[C@@H]2CN(CC#N)CC2(C)C)S1(=O)=O 977321819 ZUYPGJPADXNPDR-GHMZBOCLSA-N 314.411 -0.630 30 20 DBED N#Cc1ccc(C(=O)N2C[C@@H]3CC[C@H](NC(=O)C(N)=O)[C@H]3C2)[nH]1 979799467 AKVKVDJCWSMPHZ-LSJOCFKGSA-N 315.333 -0.662 30 20 DBED CN1CCO[C@H](C(=O)NC2CN(C(=O)c3c[nH]c(C#N)c3)C2)C1 990616016 GAUPXBGWIVHCAY-ZDUSSCGKSA-N 317.349 -0.842 30 20 DBED N#Cc1c[nH]c(C(=O)NC2CN(C(=O)CCn3cncn3)C2)c1 990696801 VFOPTJYZQUVKAI-UHFFFAOYSA-N 313.321 -0.491 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)c2cc(=O)n(C)o2)C1 991050403 QDFPOVHCZHPAOV-MNOVXSKESA-N 321.333 -0.490 30 20 DBED O=C(N[C@@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1O)c1csnn1 991619532 BXAZWEOBFSYPCN-PWSUYJOCSA-N 320.374 -0.357 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2COCCO2)C1 992063101 PQZPMXHCNYQNAR-RDBSUJKOSA-N 324.377 -0.290 30 20 DBED C[C@H](C#N)C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cn1ncnn1 996694588 JGXIWORWIRYVJD-ZNSHCXBVSA-N 303.326 -0.919 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)Cc3cc[nH]n3)C2)cn1 997089811 LMJYHNFEFJUGPS-UHFFFAOYSA-N 309.329 -0.031 30 20 DBED C=C1CC(C)(C(=O)N2CC(NC(=O)[C@H]3CN(C)C(=O)N3)C2)C1 997448181 OJCPSNVKYKWMBL-LLVKDONJSA-N 306.366 -0.307 30 20 DBED C#Cc1ccc(C(=O)NCC2CN(C(=O)c3cnn[nH]3)C2)cn1 1003471510 KJTYTSOCVKKVMK-UHFFFAOYSA-N 310.317 -0.317 30 20 DBED N#Cc1cc(C(=O)N2CC(CNC(=O)[C@@H]3[C@H]4COC[C@H]43)C2)c[nH]1 1003727042 UJOTYWQMTKQZPT-WDNDVIMCSA-N 314.345 -0.033 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@]2(CN(C(=O)c3cnon3)CCO2)C1 1007714089 VFKQNVQDXDJAIG-QMTHXVAHSA-N 319.321 -0.327 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)CC(N)=O)[C@H]2C)cn1 1011584265 AQRNMTBSRPYTII-GXFFZTMASA-N 314.345 -0.343 30 20 DBED N#Cc1cc(C(=O)N[C@H]2C[C@H](NCCN3CCNC3=O)C2)c[nH]1 1020091358 QOQHQBTWWGBJFV-HAQNSBGRSA-N 316.365 -0.238 30 20 DBED N#CCN1CC[C@H]2[C@H](CCCN2C(=O)CN2C(=O)CNC2=O)C1 1021729996 JLJFVXPKHCFMHQ-NEPJUHHUSA-N 319.365 -0.625 30 20 DBED C#CCN1CC[C@H](CNC(=O)c2cn(C[C@H]3CCOC3)nn2)C1 1028900340 ZXOKSGBWMSIYCY-ZIAGYGMSSA-N 317.393 -0.001 30 20 DBED CN1CCC[C@H](N2CC(NC(=O)c3c[nH]c(C#N)c3)C2)C1=O 1030235457 XZIBZXPFNZCICO-ZDUSSCGKSA-N 301.350 -0.079 30 20 DBED CN(C(=O)CN1C(=O)NC(=O)C1(C)C)[C@H]1CCN(CC#N)C1 1033556160 WGUPMNVANLHHQV-JTQLQIEISA-N 307.354 -0.627 30 20 DBED N#CCN1CCO[C@H](CNC(=O)c2cnc3nccn3c2)C1 1035444945 JYCDTYZOQLBFAZ-GFCCVEGCSA-N 300.322 -0.317 30 20 DBED C=CCN1CCO[C@H](CNC(=O)c2c(C)c[nH]c2CC(N)=O)C1 1035518036 CUDBEABCAMDNPO-GFCCVEGCSA-N 320.393 -0.032 30 20 DBED C=C(C)CN1CCO[C@@H](CNC(=O)c2ccc(=O)n(C)n2)C1 1035597917 RJACVPYMAQMVIK-LBPRGKRZSA-N 306.366 -0.213 30 20 DBED N#CCN1CC[C@@H]2CN(C(=O)Cn3ccc(O)nc3=O)CC[C@H]21 1036764078 LDZATVGFUUMDKP-VXGBXAGGSA-N 317.349 -0.605 30 20 DBED C=CCN[C@H]1CCN(C(=O)Cn2ncn(C)c2=O)C[C@H]1CC 1037869472 OEWLMHFMPSDBEY-OLZOCXBDSA-N 307.398 -0.016 30 20 DBED Cn1cnc(C(=O)N2C[C@@H]3CCC[C@H](C2)N3CC#N)cc1=O 1039652919 VLYJPFTXUQGTHT-TXEJJXNPSA-N 301.350 -0.017 30 20 DBED C=C(C)CCC(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2CCNC2=O)C1 1040047962 OXPKFEJDCIWZFM-MLGOLLRUSA-N 323.393 -0.442 30 20 DBED C=CCOCC(=O)N1CC[C@](O)(CNC(=O)c2ncccn2)C1 1040674304 VMVOWRAJQFTYQF-HNNXBMFYSA-N 320.349 -0.628 30 20 DBED C=CCC1(C(=O)N2CC[C@](O)(CNC(=O)C(N)=O)C2)CCCC1 1040756173 UCQUESVRYKWVCU-INIZCTEOSA-N 323.393 -0.312 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)c2cn(C)cn2)C1 1040763876 SHPGFRXMLDAHQU-HZMBPMFUSA-N 305.338 -0.727 30 20 DBED C[C@@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)C2=COCCO2)C1 1040764794 ZEYCBIWMXKEOTD-IINYFYTJSA-N 309.322 -0.886 30 20 DBED CN1CCC[C@@H]1C(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1O 1040943467 BDXRQPGJZRWIIC-JHJVBQTASA-N 316.365 -0.892 30 20 DBED C#CCCN1CC[C@@]2(CCN(C(=O)C3CS(=O)(=O)C3)C2)C1 1041319320 BAGCCVOYKZAQSK-OAHLLOKOSA-N 310.419 -0.021 30 20 DBED N#CCN1CC[C@]2(CCN(C(=O)CC3CS(=O)(=O)C3)C2)C1 1041422489 OGOVDKAWXXHQBI-AWEZNQCLSA-N 311.407 -0.131 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)c2ccnc(F)c2)C1 1041889385 MSGIKPBCZMXAOX-VIFPVBQESA-N 306.297 -0.317 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)Cc2cc[nH]n2)C1 1042272995 IVEUYEKEXWXDAJ-UHFFFAOYSA-N 306.366 -0.146 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)C[C@@H]2COC(=O)C2)C1 1042558419 PMGOIRMNUPRMDP-NSHDSACASA-N 324.377 -0.159 30 20 DBED Cc1nscc1C(=O)NCC1(O)CN(C(=O)[C@@H](C)C#N)C1 1042655138 IIIOEVFKHZRBSK-QMMMGPOBSA-N 308.363 -0.086 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)CCn2ccnn2)C1 1042777219 FUXARTMSKCDFHT-UHFFFAOYSA-N 319.365 -0.983 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)c2cc(=O)n(C)o2)C1 1042784163 JWFFUMFXAOKLDF-UHFFFAOYSA-N 309.322 -0.752 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)c2cccn2C)C1 1042936790 QASIZHDSILCKHN-UHFFFAOYSA-N 303.362 -0.012 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)C(C)(F)F)C1 1043042796 XAPGTEZUTUPUOX-SECBINFHSA-N 304.293 -0.631 30 20 DBED C=C(C)C[C@H](C)C(=O)NCC1(O)CN(C(=O)c2nc[nH]n2)C1 1045058915 JOEDCMFTILDLAR-JTQLQIEISA-N 307.354 -0.290 30 20 DBED C=C(C)C[C@H](C)C(=O)NCC1(O)CN(C(=O)c2cnon2)C1 1045059235 OPRKJZGEQVYVOE-JTQLQIEISA-N 308.338 -0.025 30 20 DBED N#Cc1cnc(N2CC[C@@H]3CCN(C(=O)C(N)=O)C[C@@H]32)cn1 1045194934 CBLWXTVSDLHOAR-ONGXEEELSA-N 300.322 -0.739 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)CC(=O)NCC2CC2)C1 1046601697 HRMJVHFOMDZIDL-UHFFFAOYSA-N 323.393 -0.442 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CN(C(C)C)CCO2)C1 1047499397 ITICOKHRJWLUFP-JYJNAYRXSA-N 323.437 -0.378 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)Cn2nc(C)ccc2=O)C1 1047605497 JTWLFOMGIBIKLS-KBPBESRZSA-N 318.377 -0.921 30 20 DBED Cc1cnc2nc(C(=O)N3C[C@@H]4CN(CC#N)C[C@@H]4C3)nn2c1 1048883687 PFRWKKSOFLHZHR-TXEJJXNPSA-N 311.349 -0.040 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cc2ncc[nH]2)C1 1049316444 MLJCGBLTLGYVMA-STQMWFEESA-N 318.377 -0.358 30 20 DBED Cc1[nH]nc(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)C#N)C2)c1C 1049388689 OQQOIFMYUYTYPW-ZHAHWJHGSA-N 319.365 -0.170 30 20 DBED C=CCOCCCC(=O)N1CC[C@@H]([C@@H](C)NC(=O)C(N)=O)C1 1050404189 NUDWDIAXARJIIO-VXGBXAGGSA-N 311.382 -0.192 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)[C@H]1CCn2ccnc2C1 1050989493 QMLPWMMWFCCRSP-UONOGXRCSA-N 302.378 -0.104 30 20 DBED N#CCN1CCOC[C@@H]1CNC(=O)c1cnc2cccnn12 1051155885 LSNGDPMQPZRSHL-NSHDSACASA-N 300.322 -0.317 30 20 DBED C#CCCN1CCN([C@@H]2CCN(C(=O)[C@H]3COCCO3)C2)CC1 1051990956 YRCSHVWPBLLPGK-HZPDHXFCSA-N 321.421 -0.356 30 20 DBED C#CCN1CCN([C@H]2CCN(C(=O)[C@@H]3COCCN3C)C2)CC1 1052017349 GYMKTBHCNFGYGW-HOTGVXAUSA-N 320.437 -0.831 30 20 DBED C#CCN1CCN([C@@H]2CCN(C(=O)[C@@]3(F)CCOC3)C2)CC1 1052071561 VYKGUMVYMZGIPJ-GDBMZVCRSA-N 309.385 -0.033 30 20 DBED N#CCN1CC2(C1)CN(C(=O)c1cccc(C(N)=O)c1)CCO2 1053311896 DVLJTNICXIMZHW-UHFFFAOYSA-N 314.345 -0.164 30 20 DBED CCCn1cc(C(=O)N2CCOC3(CN(CC#N)C3)C2)nn1 1053487775 SLNYHYRBLGQEKB-UHFFFAOYSA-N 304.354 -0.262 30 20 DBED CN1C(=O)CC[C@@H]1C(=O)N1CCN(c2cnc(C#N)cn2)CC1 1055987762 FJHSVMLJDHTUJO-GFCCVEGCSA-N 314.349 -0.382 30 20 DBED Cc1nn[nH]c1C(=O)N1CCC[C@@](CO)(NC(=O)[C@@H](C)C#N)C1 1056096240 GUUNXDAKEXIXPJ-LKFCYVNXSA-N 320.353 -0.644 30 20 DBED CN1C[C@H](C(=O)N2CC[C@@H](N=c3cc[nH]c(C#N)n3)C2)CC1=O 1056805465 WCCSNTWRHXTMNY-GHMZBOCLSA-N 314.349 -0.739 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)CS(=O)(=O)CC 1057174066 PKOWBUKQNUVFSY-UHFFFAOYSA-N 320.411 -0.676 30 20 DBED CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)c1c[nH]c(C#N)c1 1057392024 WZIPPNZMAZJJER-NSHDSACASA-N 322.365 -0.138 30 20 DBED O=C(C#CC1CC1)NCCN(CCO)C(=O)C1CCC(O)CC1 1057460762 LSUCOYDKYVCMMW-UHFFFAOYSA-N 322.405 -0.112 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)c1cn(C)nn1 1057494067 MNRKQKXYXKWASW-UHFFFAOYSA-N 307.354 -0.831 30 20 DBED Cn1nncc1C(=O)N[C@@H]1CCCN(c2nccnc2C#N)C1 1058151717 ALUIUPRQYUPMOL-SNVBAGLBSA-N 312.337 -0.124 30 20 DBED CN1CCO[C@@H](C(=O)N[C@@H]2CCN(c3ccc(C#N)cn3)C2)C1 1058316741 GPYXLQSUGVXGAN-ZIAGYGMSSA-N 315.377 -0.021 30 20 DBED Cc1nccn1CC(=O)NCCN(CCO)C(=O)[C@@H](C)C#N 1058658637 HWNFFGTUYQVPCJ-NSHDSACASA-N 307.354 -0.712 30 20 DBED C#Cc1cncc(C(=O)N(CCO)CCNC(=O)CCOC)c1 1058777392 DZUKOWFBUDLRJI-UHFFFAOYSA-N 319.361 -0.350 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)CN1CCC[C@@H]1C 1058843947 PGCFGWNKONJWPF-STQMWFEESA-N 310.398 -0.433 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)c1[nH]c(C)nc1C 1058863503 WPIQOLSMUBOWLH-UHFFFAOYSA-N 324.381 -0.220 30 20 DBED N#Cc1nccc(N2CC[C@@H]3[C@@H](CCCN3C(=O)C(N)=O)C2)n1 1059540743 XWIAUVLLYWKTOP-WDEREUQCSA-N 314.349 -0.349 30 20 DBED CN1CC[C@H](C(=O)N[C@H]2C[C@@H](Nc3cncc(C#N)n3)C2)C1=O 1059786643 ZLHYFINDGYZALV-JFGNBEQYSA-N 314.349 -0.114 30 20 DBED CN1CCO[C@@H](C(=O)NCC2(NC(=O)C#CC3CC3)CCC2)C1 1062747015 DJCMNKSXMKKJFQ-CQSZACIVSA-N 319.405 -0.115 30 20 DBED CC#CCCCC(=O)NC[C@@H]1CN(C(=O)CC(=O)NC)CCO1 1065078132 CVXHZZZBQMSNIQ-CYBMUJFWSA-N 323.393 -0.340 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)CN2CCCC2)C1 1065556510 IMTRKXURUQNEDG-OLZOCXBDSA-N 308.382 -0.415 30 20 DBED C#CCOCCC(=O)N1CC2(C[C@@H](NC(=O)C(F)F)CO2)C1 1068642158 OALVGKSXCBCSAS-SNVBAGLBSA-N 316.304 -0.223 30 20 DBED CN(C(=O)[C@@H]1CCNC1=O)C1CC(N=c2cc[nH]c(C#N)n2)C1 1069788178 YOKOLFDKVDPJLZ-VQXHTEKXSA-N 314.349 -0.692 30 20 DBED C=CCN1CCn2ncc(CNC(=O)[C@@H]3CCN(C)C3=O)c2C1 1069870291 HDVHNUUVRAUOQU-ZDUSSCGKSA-N 317.393 -0.021 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 1070033674 AQXWQJWYRHUEFL-ZSAUSMIDSA-N 315.377 -0.180 30 20 DBED Cc1nc(C(=O)N2C[C@H](n3ccnn3)[C@H](NCC#N)C2)co1 1070181130 XWQLBGFBRUSBFT-PWSUYJOCSA-N 301.310 -0.247 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2ccn(CC)n2)C[C@@H]1n1ccnn1 1070289544 IHJUAOKIUUDNRG-KGLIPLIRSA-N 313.365 -0.217 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC[C@@H](NC(=O)[C@H](C)NC(N)=O)C1 1070726945 LYMRLXQWJFAUBW-QJPTWQEYSA-N 324.381 -0.811 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H](C)[C@@H](NC(=O)CC2CC2)C1 1071922727 XDZGYBSOGWEAII-AAEUAGOBSA-N 305.378 -0.111 30 20 DBED C#CCCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)Cn2ncnn2)C1 1071991540 KDGYFCQRIWZMIJ-NEPJUHHUSA-N 304.354 -0.560 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1C 1072007735 WFONCFVRIJFZTC-GHMZBOCLSA-N 307.354 -0.406 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](NCCN2C(=O)CNC2=O)[C@@H]1C 1074568632 VMWYAGFTJWNQBD-DCAQKATOSA-N 307.354 -0.723 30 20 DBED Cc1c[nH]c(C(=O)N2CCC(O)(CNC(=O)[C@H](C)C#N)CC2)n1 1074600094 XVEBVTLUZOQISZ-SNVBAGLBSA-N 319.365 -0.039 30 20 DBED C=CCCOCC(=O)N[C@@H](C)CCNC(=O)CCNC(N)=O 1076452541 VRAOVPMEDGKDSQ-NSHDSACASA-N 314.386 -0.352 30 20 DBED Cn1nc(C(=O)N[C@@H]2CN(CC#N)C[C@H]2O)cc1C(F)(F)F 1077057445 PMNXOOURWMNAOY-RKDXNWHRSA-N 317.271 -0.263 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2ncccc2NC(C)=O)C1 1077105921 PLXCRDPWYGRJJX-CHWSQXEVSA-N 302.334 -0.552 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCCS2(=O)=O)C1 1077128816 GGTUDIAINWNXKH-JHJVBQTASA-N 314.407 -0.862 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)c2cnc3[nH]nnc3c2)C1 1077144653 QUVONLURGVGPEA-VXGBXAGGSA-N 300.322 -0.849 30 20 DBED O=C(N[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1O)c1cnn[nH]1 1077287289 SLQOMBBRADPMMX-HUUCEWRRSA-N 311.345 -0.369 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)Cn2cnc3c2CCCC3)C1 1077397145 NFWIWMOSAARPRD-UKRRQHHQSA-N 302.378 -0.444 30 20 DBED C#Cc1ccc(C(=O)NCC[C@H](C)NC(=O)CC(N)=O)nc1 1077631407 DJPXKNRCYSPKOA-JTQLQIEISA-N 302.334 -0.437 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2sc(N(C)C)nc2C)C1 1077787829 VEBPMEXKILMLKZ-GHMZBOCLSA-N 308.407 -0.074 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)c2cccc(-n3cnnn3)c2)C1 1078162490 RNUNSPMSSLBKDO-ZIAGYGMSSA-N 314.349 -0.377 30 20 DBED C=CCOCC(=O)N[C@@H](C)CCNC(=O)[C@]1(C)CCC(=O)N1 1078252020 NJXQVHHMALZPSN-NHYWBVRUSA-N 311.382 -0.131 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)c2cn(C)c(O)n2)C[C@@H]1O 1081335581 MMPZJUMXGODOJN-PWSUYJOCSA-N 322.365 -0.359 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)c2cncnc2)C[C@H]1O 1081335789 PKQGHYGKCUVXOH-QWHCGFSZSA-N 304.350 -0.008 30 20 DBED C=C(C)C(C)(C)C(=O)N1C[C@H](CNC(=O)CC(N)=O)[C@@H](O)C1 1081361033 XUSHAMOGPYOWBI-QWRGUYRKSA-N 311.382 -0.600 30 20 DBED Cc1conc1C(=O)N1C[C@H](O)[C@H](CNC(=O)C#CC2CC2)C1 1081471728 RLOPXYSEVHESQL-OLZOCXBDSA-N 317.345 -0.054 30 20 DBED C=C(C)CCC(=O)NC[C@@H]1CN(C(=O)c2cnnn2C)C[C@@H]1O 1081531670 VTZXBYCKDXKXLM-YPMHNXCESA-N 321.381 -0.280 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)Cc1cn(C)nc1C 1083107340 AAJCDFNCLUHRSQ-LSDHHAIUSA-N 302.378 -0.184 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2ccc3c(c2)NC(=O)CO3)C1 1083541213 UTCBVDJLHBQXDB-OLZOCXBDSA-N 315.329 -0.574 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCN(CC(F)(F)F)C2)C1 1083729598 KGEAJHWCMFWHTE-AXFHLTTASA-N 320.315 -0.445 30 20 DBED N#CCN1C[C@H]2[C@H]3CC[C@@H]([C@H]2C1)N(C(=O)CCn1cnnn1)C3 1089882225 WETFYHZBIHBAQL-XUXIUFHCSA-N 315.381 -0.244 30 20 DBED C#CCN1C[C@@H](NC(=O)Cn2cnnn2)CC2(CCOCC2)C1 1089924979 WCYZICVQNFMOAA-ZDUSSCGKSA-N 318.381 -0.706 30 20 DBED C#CCN1CC[C@@H](NC(=O)Cn2ncc3cccnc32)[C@@H](O)C1 1090436402 QNPSKXCCVGQBFI-KGLIPLIRSA-N 313.361 -0.384 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2c(C)ncnc2O)[C@H](O)C1 1090516495 XYAFBNLVTOTXKL-NWDGAFQWSA-N 304.350 -0.321 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2ccc3nnn(C)c3c2)[C@@H](O)C1 1090760315 ORICXMWFMDYAFH-HIFRSBDPSA-N 313.361 -0.234 30 20 DBED C[C@@H](CC(N)=O)C(=O)N[C@H]1[C@@H]2CN(c3nccnc3C#N)C[C@@H]21 1093332200 YIHJEQJBSBUDMQ-QISWUMQESA-N 314.349 -0.589 30 20 DBED N#CCN1CC(OC2CCN(C(=O)[C@@H]3CCC(=O)NC3)CC2)C1 1093548604 IPRXTPCTOINSGP-GFCCVEGCSA-N 320.393 -0.272 30 20 DBED Cc1ccc(=O)n(CC(=O)NCCNc2cnc(C#N)cn2)n1 1093770667 CIKLOOHNWVNYLZ-UHFFFAOYSA-N 313.321 -0.558 30 20 DBED N#Cc1cnc(NCCNC(=O)c2ccnc3[nH]nnc23)cn1 1094265650 PNHQSKRNHPYZMX-UHFFFAOYSA-N 309.293 -0.144 30 20 DBED CC#CCN1CCN(C(=O)C#CC2CC2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094632012 WLRWZCWTAZEWDJ-LSDHHAIUSA-N 320.414 -0.267 30 20 DBED N#Cc1cncc(N2CC[C@@H](NC(=O)CCn3cnnn3)C2)n1 1096415296 LQQDBKHPRVMFJG-SNVBAGLBSA-N 313.325 -0.880 30 20 DBED CS(=O)(=O)CCC(=O)N[C@H]1C[C@H](N=c2cc[nH]cc2C#N)C1 1097113406 RZBXMASNYRSDTD-HAQNSBGRSA-N 322.390 -0.131 30 20 DBED C[C@H](CNC(=O)Cn1c(O)nnc1O)Nc1ccc(C#N)cn1 1097976714 OVSNUXGCYGXPDY-MRVPVSSYSA-N 317.309 -0.427 30 20 DBED CCc1nc(C#N)cc(N[C@@H](C)CNC(=O)[C@@H]2CCNC2=O)n1 1098212327 ZTHSDCGDCOQVKB-GXSJLCMTSA-N 316.365 -0.037 30 20 DBED CNC(=O)NCC(=O)N1CC[C@H](CNc2cnc(C#N)cn2)C1 1098579195 QEJSURGMFMKUPB-SNVBAGLBSA-N 317.353 -0.462 30 20 DBED C[C@@H](CCNC(=O)Cn1cnnc1O)Nc1cnc(C#N)cn1 1098989184 JVZUOZAYOXZDRN-VIFPVBQESA-N 316.325 -0.348 30 20 DBED N#CCN[C@@H]1CN(C(=O)[C@@H]2COCCO2)C[C@H]1C(F)(F)F 1099216218 ATCLEPBDUYQNMP-BBBLOLIVSA-N 307.272 -0.096 30 20 DBED C[C@@H](CCNC(=O)[C@H]1CN(C)C(=O)N1)N=c1cc[nH]cc1C#N 1099617404 USJIOGFGGYPZMF-GXFFZTMASA-N 316.365 -0.295 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(Cc2nnc(C)o2)C[C@H]1O 1099740255 ADFFYMIWGMWHNC-NWDGAFQWSA-N 310.354 -0.368 30 20 DBED C#CCCCCC(=O)N[C@H]1CCN(Cc2nc(O)n[nH]2)C[C@H]1O 1099787719 ZOJBFMFGPYHRNZ-NWDGAFQWSA-N 321.381 -0.245 30 20 DBED Cc1nonc1CN1CC[C@H](NC(=O)C#CC2CC2)[C@H](O)C1 1099823708 ICBKJSZCEDPKRC-GXTWGEPZSA-N 304.350 -0.157 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCN(Cc2ccn(C)n2)C[C@H]1O 1099832090 APMHKIAUHVFSON-HUUCEWRRSA-N 320.393 -0.489 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2ccns2)[C@H](O)C1 1099853703 UYLKHBPRDGABGJ-NWDGAFQWSA-N 309.391 -0.042 30 20 DBED C=CCN1CC[C@@H](NC(=O)COCc2nccn2C)[C@@H](O)C1 1099887587 HTYMRKWBPWYYRU-OLZOCXBDSA-N 308.382 -0.326 30 20 DBED CN(CCNC(=O)c1ccc(=O)n(C)n1)c1ccnc(C#N)n1 1100095437 LCXAAILARVTNDH-UHFFFAOYSA-N 313.321 -0.692 30 20 DBED CN(CCNC(=O)[C@H]1CCNC(=O)CC1)c1cnc(C#N)cn1 1100237304 CLTHDJHGCPRHFV-LLVKDONJSA-N 316.365 -0.183 30 20 DBED C=CCNC(=O)CNC1CC(CNC(=O)c2cn(C)nn2)C1 1100299315 WKMKAIBYOIVGQJ-UHFFFAOYSA-N 306.370 -0.785 30 20 DBED C#CCN1CC[C@H](Oc2ccnc(CNC(=O)CC(N)=O)c2)C1 1101091476 CDJWDAPRODTRQY-AWEZNQCLSA-N 316.361 -0.341 30 20 DBED CCCN(CCNC(=O)[C@@H]1CNC(=O)N1)c1ncccc1C#N 1101236318 UAQGMCJWJCBENV-LBPRGKRZSA-N 316.365 -0.033 30 20 DBED COCC#CCN1C[C@@H]2CN(C(=O)[C@@H](C)CC(N)=O)C[C@]2(C)C1 1101324343 VYGOZOHSGMXHOG-VBQJREDUSA-N 321.421 -0.072 30 20 DBED CN1CCO[C@H](C(=O)N(C)CCN=c2cc[nH]cc2C#N)C1 1101537974 CBWWHZCCEDWHKR-AWEZNQCLSA-N 303.366 -0.424 30 20 DBED CNC(=O)CN1CC2(C[C@@H](NC(=O)[C@@H](C)C#N)c3nccn32)C1 1101618022 YZFGLCIPAOXDTI-WDEREUQCSA-N 316.365 -0.639 30 20 DBED C=CCOCC(=O)N(C)[C@H]1CCN(c2nccn3nnnc23)C1 1102692493 VSRXGUIWKCJCSP-NSHDSACASA-N 317.353 -0.241 30 20 DBED CCC(=O)NCC(=O)N(C)[C@@H]1CCN(c2ccc(C#N)nn2)C1 1102701725 HJJCHNRVAKAAMR-GFCCVEGCSA-N 316.365 -0.088 30 20 DBED CCc1nc(C#N)cc(NC[C@@H](C)CNC(=O)CNC(N)=O)n1 1103869641 HIDKXMCLUDONPF-SECBINFHSA-N 319.369 -0.257 30 20 DBED C=CCNCc1cn(C2CN(C(=O)CC(=O)N(C)C)C2)nn1 1105340913 WTNCCKZHVRJELQ-UHFFFAOYSA-N 306.370 -0.585 30 20 DBED CN(CCN(C)c1ccncc1C#N)C(=O)[C@H]1COC(=O)N1 1105393504 ZDEYOQWHHGWAFV-LLVKDONJSA-N 303.322 -0.044 30 20 DBED Cn1ccc(C(=O)NC[C@H](O)CNc2ccc(C#N)nn2)c1 1105793069 WISKCUFFVVIDQE-GFCCVEGCSA-N 300.322 -0.110 30 20 DBED C[C@@H]1CN(C(=O)c2cc[nH]n2)C[C@H]1CNCC(=O)NCC#N 1105845703 SVEOSBUUEBHCOC-GHMZBOCLSA-N 304.354 -0.653 30 20 DBED N#Cc1cnc(NC[C@@H](O)CNC(=O)CCCC(N)=O)c(F)c1 1105882143 CTKPIQAHBIQKOH-JTQLQIEISA-N 323.328 -0.363 30 20 DBED CCCC(=O)NCC(=O)N[C@@H](C)CCN=c1cc[nH]c(C#N)n1 1106236937 GYSIKSVMBIRQEI-NSHDSACASA-N 318.381 -0.007 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@H](C)CNc1ccc2nnnn2n1 1107730858 CNWGMYFLDSATRH-NOZJJQNGSA-N 305.342 -0.237 30 20 DBED C[C@H](CN=c1cc[nH]cc1C#N)NC(=O)C(=O)NCC(F)F 1108006657 ZIOXYIZBOLAQEE-MRVPVSSYSA-N 311.292 -0.327 30 20 DBED C[C@H](CNc1cncc(C#N)n1)NC(=O)CN1CCOCC1=O 1108179894 WGEJIDUGSFJZRU-SNVBAGLBSA-N 318.337 -0.876 30 20 DBED C[C@@H](C(=O)N[C@H](C)CNc1ccc(C#N)nn1)S(C)(=O)=O 1108194887 FHUPKGHZZSURNL-BDAKNGLRSA-N 311.367 -0.302 30 20 DBED C#CCCN1CCO[C@@](C)(CNC(=O)c2c[nH]c(C(N)=O)c2)C1 1108400132 DTKCAIQEZVRILW-INIZCTEOSA-N 318.377 -0.042 30 20 DBED CC#CCN1CC(N2C[C@@H](NC(=O)[C@H](COC)OC)CC2=O)C1 1108569584 KWJSNIAQMDIQJP-JSGCOSHPSA-N 323.393 -0.928 30 20 DBED C[C@@H](CN(C)c1nccnc1C#N)NC(=O)c1ncn(C)n1 1108933728 UJNNDPFSOCHVEE-VIFPVBQESA-N 300.326 -0.269 30 20 DBED C[C@@H](CN(C)c1ccc(C#N)nn1)NC(=O)Cn1cncn1 1108960430 NRLHGELPRVYMRR-JTQLQIEISA-N 300.326 -0.419 30 20 DBED C[C@H](CN(C)c1cncc(C#N)n1)NC(=O)[C@]1(C)CCC(=O)N1 1109241993 DDLASUIBTQXHKH-BMIGLBTASA-N 316.365 -0.042 30 20 DBED CN1CCOC[C@H]1C(=O)NCC1(N=c2cc[nH]cc2C#N)CC1 1110110664 ZEDNNYSNXRAKAH-AWEZNQCLSA-N 315.377 -0.234 30 20 DBED C#CCN(C(=O)C(N)=O)C1CCN(c2nccnc2F)CC1 1110628404 AMGDYXGPIQLMBS-UHFFFAOYSA-N 305.313 -0.468 30 20 DBED C[C@@H](CC(N)=O)C(=O)N[C@@]1(C)CCN(c2ccc(C#N)nn2)C1 1110802600 REZKUKOARJXZJM-BONVTDFDSA-N 316.365 -0.055 30 20 DBED N#Cc1nccc(N2CCC(F)(F)[C@H](CNC(=O)C(N)=O)C2)n1 1111014154 OTPCRIGDYQHHPM-MRVPVSSYSA-N 324.291 -0.589 30 20 DBED C=C[C@@](C)(O)CC(=O)N(C)[C@H]1CN(c2ncc(F)cn2)C[C@@H]1O 1111180042 JRPPVCNKOZEERL-SLEUVZQESA-N 324.356 -0.049 30 20 DBED CCOCC(=O)N(CCO)CCNc1nc(C)cc(C#N)n1 1111424958 WVFOZMWDJXGGFR-UHFFFAOYSA-N 307.354 -0.074 30 20 DBED CCC(=O)NCC(=O)N(CCO)CCNc1ccc(C#N)cn1 1111429671 VTBGLZYFAVOTIF-UHFFFAOYSA-N 319.365 -0.288 30 20 DBED CC(C)[C@@H](O)C(=O)N(CCO)CCNc1nccnc1C#N 1111461986 YQIQZOYZGPCNPM-GFCCVEGCSA-N 307.354 -0.402 30 20 DBED N#Cc1nc(=NCCN(CCO)C(=O)[C@H]2CC2(F)F)cc[nH]1 1111470095 ATSOTFIJYZATOM-SECBINFHSA-N 311.292 -0.342 30 20 DBED COCCC(=O)NC[C@H]1CN(c2ccc(C#N)cn2)C[C@H]1O 1112689894 TZELBYMQEMLIAX-QWHCGFSZSA-N 304.350 -0.097 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(c2cc(F)ncn2)C[C@H]1O 1112738007 LHQSILPTCAGZHE-VXGBXAGGSA-N 322.340 -0.431 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)CCOCC#C)CC1 1112845246 ZWOHBPYVMYRNJC-AWEZNQCLSA-N 305.378 -0.692 30 20 DBED C=CCOCCN1CCN(C(=O)CCn2cnccc2=O)CC1 1113474278 GNGJGMNKNNBRIY-UHFFFAOYSA-N 320.393 -0.020 30 20 DBED C[C@H](CNC(=O)Cn1cnnn1)N(C)c1ccc(C#N)cn1 1113487721 RWQWQAKPLSSBHG-SNVBAGLBSA-N 300.326 -0.419 30 20 DBED COCCOCC(=O)NC[C@H](C)N(C)c1ccnc(C#N)n1 1113539133 JDZLHCPNCMREOG-NSHDSACASA-N 307.354 -0.048 30 20 DBED C[C@H](CNC(=O)[C@@H]1COCCN1C)N(C)c1ccnc(C#N)n1 1113561011 QOSIQFHLLPVVGO-NEPJUHHUSA-N 318.381 -0.380 30 20 DBED C=CCOCC(=O)NC1[C@@H]2CN([C@H]3CCCN(C)C3=O)C[C@@H]12 1114047505 HATLAZVPTOUUJW-UPJWGTAASA-N 307.394 -0.144 30 20 DBED C[C@H](C#N)C(=O)NC1[C@H]2CN(Cc3nnc4n3CCOC4)C[C@H]12 1114067572 UDVBHVINVUHZKJ-VWYCJHECSA-N 316.365 -0.486 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@H]2CN(Cc3nccs3)C[C@H]12 1114157350 CPFIPXVGFVQQBI-QWRGUYRKSA-N 318.402 -0.171 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3ccnn3CC)[C@H]2C1 1114174772 ZSJGJNYTYOOHKC-JYAVWHMHSA-N 315.377 -0.688 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@H]1[C@@H]2CN(CC(=O)NC(C)C)C[C@@H]21 1114195025 ZLZLOQRONPVBCM-GUYJKWIASA-N 309.410 -0.116 30 20 DBED O=C(C#CC1CC1)N[C@H]1[C@@H]2CN([C@H]3CCC(=O)NC3=O)C[C@@H]21 1114252773 CBDFEHQUIKVUFL-OZTPJHRESA-N 301.346 -0.749 30 20 DBED C#CCOCCC(=O)NC1[C@H]2CN(Cc3nncn3C)C[C@H]12 1114266587 SKXCKMLOLLFGEZ-RYUDHWBXSA-N 303.366 -0.599 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)c3c[nH]nc3C)[C@@H]2C1 1114652691 RSLSPIMZELFREJ-CYZMBNFOSA-N 315.377 -0.484 30 20 DBED C[C@@H]1C[C@H](CNc2cnc(C#N)cn2)CN1C(=O)CNC(N)=O 1114667783 VJVOYLOTZMOYMO-NXEZZACHSA-N 317.353 -0.335 30 20 DBED C[C@]1(C(=O)N[C@H]2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]32)CCOC1 1115015639 IIXBYSRXWUFVMI-MDHDOXDCSA-N 306.366 -0.901 30 20 DBED N#Cc1ccc(NCCCOCCNC(=O)c2cnn[nH]2)nn1 1115457079 WDRBLMPNOWSMBX-UHFFFAOYSA-N 316.325 -0.285 30 20 DBED CC(=O)OC1CCN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)CC1 1118184849 MKEOENMIZIEVKJ-HNNXBMFYSA-N 323.349 -0.582 30 20 DBED CC(=O)N[C@@H](C)C(=O)NC[C@@H](CO)Nc1ccc(C#N)cn1 1121176887 AJKSQMDOQYFRPT-CABZTGNLSA-N 305.338 -0.633 30 20 DBED N#Cc1nccnc1N[C@@H](CO)CNC(=O)c1csc(O)n1 1122429082 GGPZPWMDYDGZKN-SSDOTTSWSA-N 320.334 -0.287 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)C[C@H]1CCCO1 1124174299 LDCOWZDNJRZLCI-VXGBXAGGSA-N 319.365 -0.430 30 20 DBED CN(C[C@H](O)CNc1ccc(C#N)cn1)C(=O)c1nnn(C)n1 1124648072 BEKXBCOOQFPHOH-SNVBAGLBSA-N 316.325 -0.978 30 20 DBED C=C(C)CN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H](COC)OC)C1 1129242903 BDAVWIXYVJFSAN-RDBSUJKOSA-N 323.397 -0.143 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H](C)OCC=C)C1 1129482468 XDJYHCXSPLTKRM-MCIONIFRSA-N 303.366 -0.156 30 20 DBED C=CCOCCN[C@@H]1CN(C(=O)[C@H](C)OC)C[C@@H]1n1ccnn1 1129646004 IVQRVMKZPUZHDY-MJBXVCDLSA-N 323.397 -0.143 30 20 DBED COCC#CCNCCNC(=O)CS(=O)(=O)C1CCCC1 1130339933 MXHRZWYBKWNDGR-UHFFFAOYSA-N 316.423 -0.301 30 20 DBED C#CCN1CCN([C@H]2CCCN(C(=O)COCC)C2)C(=O)C1 1131706358 CMAIXSIMQIRCFY-AWEZNQCLSA-N 307.394 -0.209 30 20 DBED C=CCNC(=O)CN1C[C@H](NC(=O)c2cn(C)nn2)CC[C@@H]1C 1132039078 WRAMDEGAYGQSHI-NWDGAFQWSA-N 320.397 -0.300 30 20 DBED C#CCCNC[C@H]1CN(C(=O)Cn2ncn(C)c2=O)CC[C@H]1C 1132934001 WPWYRESKFKGPDF-KGLIPLIRSA-N 319.409 -0.321 30 20 DBED CO[C@@H](C)CCC(=O)N1CC2(CCN(CC(=O)NCC#N)C2)C1 1147393060 YAAPZVLYBWZFDR-ZDUSSCGKSA-N 322.409 -0.024 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC2(CCN([C@@H]3CCCNC3=O)C2)C1 1147530764 QQMSEJKMFDTDJR-UONOGXRCSA-N 319.405 -0.162 30 20 DBED C#CCOc1ncccc1C(=O)NCCN[C@@H](C)C(=O)NC 1148302090 BMDCHYWERRJVMZ-NSHDSACASA-N 304.350 -0.453 30 20 DBED CCN(C)CCC(=O)N1CC2(CCN(CC(=O)NCC#N)C2)C1 1148542893 RFQNOOJXTMEFJN-UHFFFAOYSA-N 321.425 -0.498 30 20 DBED COCC#CCN1CCCO[C@H](CNC(=O)c2cc[nH]n2)C1 1149189321 RAAVYWVJACKGQC-CYBMUJFWSA-N 306.366 -0.120 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN([C@H]2CCCNC2=O)CCCO1 1149693802 CHMCEBDFEVYKHL-CABCVRRESA-N 319.405 -0.115 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)CCCc1nc(C)no1 1150962800 GFIOYOLTRLSMSP-NSHDSACASA-N 321.381 -0.456 30 20 DBED N#Cc1cccc(CNCCNC(=O)[C@@H]2CCS(=O)(=O)N2)c1 1151300810 QATMCVVEXWPAQG-ZDUSSCGKSA-N 322.390 -0.544 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CCc2c[nH]nc2C1 1151729204 DAYXXCMWZOORSA-NWDGAFQWSA-N 319.409 -0.089 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)Cn1cc(C)cn1 1155264661 DKFZCOYBZOFZAD-CYBMUJFWSA-N 305.382 -0.575 30 20 DBED CN(CC#N)C[C@H]1CCCCN1C(=O)CN1CCC(=O)NC1=O 1158708992 GACJDBUMQYSKNN-GFCCVEGCSA-N 321.381 -0.235 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCCNCc1ncnn1C 1160197942 PALGLYNJUWFQNR-ZDUSSCGKSA-N 304.398 -0.491 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)c2[nH]c(O)nc2C)C1=O 1160511058 QFTVUCDZSBWDOI-LLVKDONJSA-N 321.381 -0.080 30 20 DBED C=CCNC(=O)CNCCCNC(=O)c1cn2c(n1)COCC2 1160969114 FWQORBQAGYKZSV-UHFFFAOYSA-N 321.381 -0.575 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@@H](C)Cc1cnc[nH]1 1167978713 NWFTUHNPLULNAI-LBPRGKRZSA-N 305.382 -0.566 30 20 DBED CC#CCNCCCC[C@@H](C)NC(=O)Cn1c(O)nnc1O 1176359005 RILRLJBMCUWQOG-LLVKDONJSA-N 309.370 -0.023 30 20 DBED C#CCN1CCC(C(=O)NCCCN[C@H](C)C(=O)NC)CC1 1176926201 IYUALPIWRAPYBZ-CYBMUJFWSA-N 308.426 -0.438 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)CN2CCOCC2)C1 1182067322 LUBWLFQQBLJYSM-UONOGXRCSA-N 324.425 -0.800 30 20 DBED COCc1ccc(C(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)o1 1184085336 DWNHTFOXDOCGLF-LLVKDONJSA-N 320.349 -0.130 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)C[C@H]2CCCC(=O)N2)C1 1184101089 WCUWFPLEPCWXAO-ZIAGYGMSSA-N 307.394 -0.115 30 20 DBED Cc1ncccc1CC(=O)N1CC[C@@H](NCC(=O)NCC#N)C1 1185633149 MLGBSXMHKRZUPX-CQSZACIVSA-N 315.377 -0.237 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3ccnn3C)[C@@H]2C1 1187124629 BBYSBXTWVQZPQC-GXTWGEPZSA-N 315.377 -0.684 30 20 DBED C=CCN1C[C@@H]2CCN(C(=O)CN(C)S(C)(=O)=O)[C@@H]2C1 1188102429 KBECSHJEUOJBER-NWDGAFQWSA-N 301.412 -0.404 30 20 DBED Cc1cc(C(=O)N2CC[C@@H](N(C)CC(=O)NCC#N)C2)on1 1188846913 WCKPTYVXSYQRPR-LLVKDONJSA-N 305.338 -0.231 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(Cc2ccnc(OC)n2)C[C@H]1O 1192503325 AQWADTMFPJPUTF-ZIAGYGMSSA-N 318.377 -0.050 30 20 DBED C#CCCN(C)[C@H]1CCN(C(=O)[C@H](C)NS(C)(=O)=O)C1 1192551833 UFBRTXCXHKFMLR-RYUDHWBXSA-N 301.412 -0.520 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(CCCS(C)(=O)=O)C[C@H]1O 1192762414 ZASUZVHCPJJYBD-CHWSQXEVSA-N 316.423 -0.758 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(CCOCC(F)F)C[C@H]1O 1192890818 CUJZRUOXOTVDOK-QJPTWQEYSA-N 320.336 -0.532 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)Cc2occc2C)C1 1196030697 QLQNDRDXZXEHKP-CHWSQXEVSA-N 319.361 -0.959 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H](CCC)C(C)C)C1 1196526187 FJXLBIAJNCMLLN-RRFJBIMHSA-N 323.437 -0.031 30 20 DBED N#CCNC[C@H]1CN(C(=O)[C@@H]2CCCCC(=O)N2)CCCO1 1201389856 NLAHDROKSCYVQX-STQMWFEESA-N 308.382 -0.224 30 20 DBED C#CCCNC[C@H]1CN(C(=O)[C@H]2CN(CC)CCO2)CCCO1 1202115573 JWDOHKPVMMLPES-JKSUJKDBSA-N 323.437 -0.063 30 20 DBED N#CCNC1CCN(C(=O)CNC(=O)C2CCOCC2)CC1 1202983824 STODGCZRNGNSRA-UHFFFAOYSA-N 308.382 -0.367 30 20 DBED C=CCNC(=O)CNCC1CCN(C(=O)CNC(=O)CC)CC1 1204798082 FOHHUNNZOZJBOB-UHFFFAOYSA-N 324.425 -0.357 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)c1cnns1 1206253977 SCGLCZRWDRKPCG-RKDXNWHRSA-N 308.367 -0.772 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CCCN(C(=O)CNC(C)=O)C1 1207124833 HZJXVZLDOBAYFW-WCQYABFASA-N 310.398 -0.606 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)Cc1cscn1 1209217951 VSANFABOHWOFDK-ZYHUDNBSSA-N 321.406 -0.238 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)C(C)(C)NC(C)=O)C1 1210154955 PCHRZNMCTKGECY-ZDUSSCGKSA-N 324.425 -0.216 30 20 DBED CC#CCN[C@@H]1CCCN(C(=O)c2nccnc2C(N)=O)C1 1210992416 AZDMJYXCRVHVKV-LLVKDONJSA-N 301.350 -0.207 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)[C@H](C)n2cncn2)C[C@H]1C 1214454235 CWZAKBHOXIZRMA-HZSPNIEDSA-N 305.382 -0.075 30 20 DBED N#CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cc[nH]c1 1217959879 RYKWDWAIQQOWHQ-QWHCGFSZSA-N 317.349 -0.820 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)CCCNC(=O)C2CC2)C1 1219744758 PTVNNVLCEQFHEH-KGLIPLIRSA-N 307.394 -0.523 30 20 DBED Cc1ncnc(O)c1CCC(=O)N[C@@H]1CN(CC#N)C[C@@H]1O 1219941708 MBLTWBQEYHAUAB-NEPJUHHUSA-N 305.338 -0.892 30 20 DBED N#CCNC(=O)CN1CC[C@@H]2CN(C(=O)C[C@@H]3CCOC3)[C@@H]2C1 1221458748 RJQLODAUBKJBBF-BFHYXJOUSA-N 320.393 -0.415 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCCN(C(=O)CCCC(N)=O)C1 1222117403 JDAMGUNRSSDYRI-OLZOCXBDSA-N 322.409 -0.640 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1[C@H]2COC[C@H]21 1228061384 MMCIHHNHHHJQCI-OKWIKPQFSA-N 320.393 -0.464 30 20 DBED CN(C[C@H]1CCN1CC(=O)NCC#N)C(=O)c1ccccn1 1230594260 IPWQCBIORBBCAZ-GFCCVEGCSA-N 301.350 -0.132 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)c1coc(C)n1 1233857659 TVNKHDGYFBYFMM-LBPRGKRZSA-N 304.350 -0.121 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCC[C@@H](NC(=O)c2[nH]nnc2C)C1 1317940063 BPZHCQGYRFDGCP-VXGBXAGGSA-N 320.397 -0.002 30 20 DBED N#C[C@@]1(F)CCN(C(=O)C(=O)NCCCN2CCOCC2)C1 1321528547 IHGRLLBLSYDUAJ-AWEZNQCLSA-N 312.345 -0.711 30 20 DBED N#CC1CCN(C(=O)C(=O)NCCOC[C@@H]2CCOC2)CC1 1322551807 SZGHACBEABWTDO-CYBMUJFWSA-N 309.366 -0.082 30 20 DBED C[C@H](NC(=O)C(=O)N1CCC(CC#N)CC1)[C@@H]1CN(C)CCO1 1323568760 NIEQUXGRQJEWMA-JSGCOSHPSA-N 322.409 -0.026 30 20 DBED C=CC1CCN(C(=O)C(=O)N2CCN(C(=O)COC)CC2)CC1 1324781970 FICVPBKLMICQTL-UHFFFAOYSA-N 323.393 -0.272 30 20 DBED Cc1nc2n(n1)C[C@@H](NC(=O)C(=O)N[C@@H]1CC[C@H](C#N)C1)CC2 1325962950 GMWJKHDBKVOQFA-TUAOUCFPSA-N 316.365 -0.174 30 20 DBED COCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@@H](C)N 1326181897 BLHCNBUIXBYHTI-GFCCVEGCSA-N 318.377 -0.003 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)NCC1CCS(=O)(=O)CC1 1327227874 SCBLSPUTDHRRJU-NSHDSACASA-N 318.395 -0.755 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N1CCC[C@H](C(=O)NC)C1 1330428879 GGBSPSSUEBDZIF-QWHCGFSZSA-N 323.393 -0.484 30 20 DBED C[C@H](NC(=O)C(=O)NCCCCC#N)c1nnnn1C1CC1 1331014147 OQSKAVMIQIFOBN-VIFPVBQESA-N 305.342 -0.005 30 20 DBED CC(=O)NC[C@H]1CCCCN1C(=O)C(=O)N1CC[C@@](F)(C#N)C1 1331473983 TZJNTSUHIVDDPN-IUODEOHRSA-N 324.356 -0.032 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)NC[C@@]1(OC)CCOC1 1333014779 ZPAVANSBDFCCND-DOMZBBRYSA-N 312.366 -0.547 30 20 DBED C[C@H]1CCOCCN1C(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1338092489 UESJMJZOHARUAU-JSGCOSHPSA-N 320.393 -0.177 30 20 DBED C[C@H](OC(=O)Cn1cc([C@H](C)O)nn1)C(=O)NC1(C#N)CCC1 1343435636 AZGQGTDBTZQQAJ-UWVGGRQHSA-N 321.337 -0.174 30 20 DBED N#CCCN1CCN(C(=O)C2=NN(CCO)C(=O)CC2)CC1 1363184986 LLYQDARHILEBHH-UHFFFAOYSA-N 307.354 -0.985 30 20 DBED CN(CCS(N)(=O)=O)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O 1364501102 OEQGLSZCZMWEGI-CYBMUJFWSA-N 322.390 -0.116 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)CCc2ncccn2)C1 1384032826 RIYOZWQMYWXHDP-IJLUTSLNSA-N 317.349 -0.743 30 20 DBED C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)CCc1nc[nH]n1 1389321536 LRPUYLHTGSSUMG-VIFPVBQESA-N 315.337 -0.128 30 20 DBED C[C@@H](C#N)C(=O)NCC(C)(C)CN(C)C(=O)[C@H]1COC(=O)N1 1395012897 IJNIVTPDVBDBTE-VHSXEESVSA-N 310.354 -0.145 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CN(C)C(=O)c1ccc(O)nc1 1396050456 JWASIZSAWLWPNT-GXSJLCMTSA-N 306.322 -0.504 30 20 DBED N#Cc1ncn(CCNC(=O)[C@@H]2COc3ccc(O)cc3O2)n1 1412935932 OIHHDGJRIDUASY-LBPRGKRZSA-N 315.289 -0.188 30 20 DBED N#Cc1ccc(S(=O)(=O)N[C@@H]2CCc3nnnn3CC2)o1 1414291830 MCQJWKMOAAANHB-MRVPVSSYSA-N 308.323 -0.179 30 20 DBED C[C@@H](C#N)C(=O)N(C)C[C@@H]1CCN(C(=O)c2cnn(C)n2)C1 1415948149 QGPFBUFBRQMEIS-QWRGUYRKSA-N 304.354 -0.105 30 20 DBED CC(=O)N[C@H](C)C(=O)N1CC[C@@H]1CNC(=O)c1cc(C#N)c[nH]1 1417019593 FTKJRGYEZVQNGA-BXKDBHETSA-N 317.349 -0.258 30 20 DBED C[C@@H](CNC(=O)Cn1ncnn1)NCc1ccc(C#N)cc1F 1419748012 MJZXHGXJAYQDFZ-JTQLQIEISA-N 317.328 -0.022 30 20 DBED C[C@H](O)CN1CCN(Cc2cc(O)n3ncc(C#N)c3n2)CC1 1421729258 UMQNCZPDWNGQID-NSHDSACASA-N 316.365 -0.195 30 20 DBED CC(C)N1CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)CC1 1433599568 SXICJRNCEWCURJ-UHFFFAOYSA-N 319.365 -0.237 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCN1CCN(CC(=O)N(C)C)CC1 1437962797 XEEHVAWLHYQAPW-ZDUSSCGKSA-N 309.414 -0.690 30 20 DBED C=C(Cl)CN1CC(O)(CNC(=O)[C@H]2CCN(C)C(=O)C2)C1 1440053084 DUQWBBNVNKOTBS-NSHDSACASA-N 315.801 -0.230 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCN(C(=O)CNC(=O)C3CC3)C2)C1 1452419932 OLXJMKYDYCPOBA-NSHDSACASA-N 318.377 -0.267 30 20 DBED C[C@H](C#N)C(=O)N1CCC(C)(CNC(=O)Cn2cnnn2)CC1 1453983043 FPDDHAREOUSXFK-LLVKDONJSA-N 319.369 -0.422 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CCN(C(=O)CCn2cnnn2)C1 1527257508 MFZKXRKXSUZKCS-QWRGUYRKSA-N 305.342 -0.812 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)C1(c2ccccn2)CC1 1533258200 OGLVXNFVWNLYCM-NEPJUHHUSA-N 316.361 -0.134 30 20 DBED Cc1ocnc1C(=O)NC[C@]1(O)CCN(C(=O)[C@@H](C)C#N)C1 1537312579 JREDRKBEUPMWHO-LKFCYVNXSA-N 306.322 -0.164 30 20 DBED C#CCOCCNC(=O)c1nc(O)c(-c2nn[nH]n2)cc1C 1573288079 IEYCTAIZNKWUMK-UHFFFAOYSA-N 302.294 -0.345 30 20 DBED C#CCN(CC(=O)NC1CCN(C(C)=O)CC1)C1CCNCC1 1574637154 IIOQUUVPJDAEBZ-UHFFFAOYSA-N 320.437 -0.199 30 20 DBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C[C@H](O)CN 1576815269 KXHZVADISXRUHE-MNOVXSKESA-N 304.354 -0.905 30 20 DBED CO[C@H](CNc1cnc(C#N)c(-c2nn[nH]n2)n1)[C@@H]1CCOC1 1579593622 CCRMVQRFIAYYBX-PSASIEDQSA-N 316.325 -0.008 30 20 DBED C#CCN(C)C(=O)C(=O)N1C[C@@H](C(=O)O)Oc2ccccc21 1588461506 SBWMMLACOABKDE-LBPRGKRZSA-N 302.286 -0.043 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2c[nH]c(C(=O)O)c2)CC1 1588484275 YLRKKAIZCCMGAP-UHFFFAOYSA-N 318.333 -0.780 30 20 DBED C=C(C)C[C@H](NC(=O)C[C@]1(C)CCS(=O)(=O)N1)C(=O)O 1588541345 WSRMFGPHERSKMI-CABZTGNLSA-N 304.368 -0.006 30 20 DBED C=C[C@@H]1OCC[C@H]1CNC(=O)Cn1cnc(-c2nn[nH]n2)n1 1588725448 FEWMNYRRZZLRDL-IUCAKERBSA-N 304.314 -0.835 30 20 DBED CC(C)NC(=O)[C@H](C#N)C(=O)[C@@H](C)n1cnc(-c2nn[nH]n2)n1 1589719750 FWMFLHMEWZLKGJ-HTQZYQBOSA-N 317.313 -0.747 30 20 DBED CCN1CCN(C(=O)CNC(=O)[C@@](C)(C#N)CC(=O)O)CC1 1589744632 WUYSQQHGASWPFZ-CQSZACIVSA-N 310.354 -0.729 30 20 DBED C[C@H](C(=O)N(CC#N)CC(=O)O)S(=O)(=O)C1CCOCC1 1609632291 JKHPRQBFQASTPZ-SECBINFHSA-N 318.351 -0.595 30 20 DBED C#CCNC(=O)CN[C@H](CNC(=O)[C@H](C)n1cccn1)C1CC1 1752452035 RNIAQAIDGZZSHX-GXTWGEPZSA-N 317.393 -0.322 30 20 DBED C#CCNC(=O)CN[C@H](CNC(=O)c1cc(OC)no1)C1CC1 1752460087 TZTJQKLSZXCFGU-LLVKDONJSA-N 320.349 -0.469 30 20 DBED C#CCN1CC[C@@H](N(CC)C(=O)CN2CC(=O)N(C)C2=O)C1 1753459340 OZBMEYOXKVSKBE-GFCCVEGCSA-N 306.366 -0.564 30 20 DBED C#CCCNC1(CNC(=O)CN2CC(=O)N(C)C2=O)CCCC1 1753671523 RHOXNTYQELAWSC-UHFFFAOYSA-N 320.393 -0.078 30 20 DBED C=CCNC(=O)CN(C)CCN(C)C(=O)C[C@H]1CCC(=O)NC1 1753854625 QROJEEXJOKCFMZ-CYBMUJFWSA-N 324.425 -0.405 30 20 DBED C#CCNC(=O)CNC[C@H](C)NC(=O)[C@@H]1CCc2cncn2C1 1754273184 HFQRLFIERZHHFR-QWHCGFSZSA-N 317.393 -0.711 30 20 DBED C=CCNC(=O)[C@H](C)NC1(CNC(=O)c2cnc(O)n2C)CC1 1754521839 UOGRVEUWKXMHLQ-JTQLQIEISA-N 321.381 -0.332 30 20 DBED C=C(Cl)CN1CC[C@](O)(CNC(=O)C2(C(=O)NC)CC2)C1 1754759140 DNALVCIWTHKEEC-ZDUSSCGKSA-N 315.801 -0.182 30 20 DBED CCc1nc(C(=O)N[C@@H](C)C2CN(CC(=O)NCC#N)C2)co1 1755375182 VJGIAJLOKXOEFM-JTQLQIEISA-N 319.365 -0.073 30 20 DBED COCC#CCN1C[C@H]2CC[C@H]1CN2C(=O)c1cn(C)nn1 1755394786 LKKAUZCPPBVDAK-QWHCGFSZSA-N 303.366 -0.246 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)[C@H](OC)C2CC2)C(C)(C)C1 1755406398 DYCXJIYQGLNFEU-UKRRQHHQSA-N 321.421 -0.013 30 20 DBED C=CCn1cc(C(=O)NC[C@@H](CO)NCc2coc(C)n2)nn1 1755640746 PTDFNTWSQAYVGP-NSHDSACASA-N 320.353 -0.359 30 20 DBED C=CCOCC(=O)NC[C@H](O)CN(C)C(=O)c1[nH]c(C)nc1C 1756679409 LNVQLJXZDKXERL-LBPRGKRZSA-N 324.381 -0.222 30 20 DBED C=CCCC(=O)N[C@@H]1CN(C(=O)CCC(=O)NCC)C[C@H]1O 1756984922 KVSYNMQTWXKXOS-VXGBXAGGSA-N 311.382 -0.443 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@H](O)[C@H](NC(=O)CC(F)(F)F)C1 1757158981 BPENLGWSXKCMFM-BBBLOLIVSA-N 322.283 -0.335 30 20 DBED C=C[C@](C)(O)CC(=O)N1C[C@H](O)[C@H](NC(=O)c2nc(C)c[nH]2)C1 1757177558 JDLRFLJBOQCWTA-ZETOZRRWSA-N 322.365 -0.653 30 20 DBED C/C(=C/C(=O)N1CC[C@@]2(C1)CN(C(=O)CC#N)CCO2)C(=O)O 1785412467 PDBRIUMOETVNDI-MEODZPNASA-N 321.333 -0.239 30 20 DBED CC[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)S)C2 1792866280 OHJHMTJVIDOHCJ-SVNGYHJRSA-N 316.423 -0.335 30 20 DBED N#CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccnn1)C2 1795082690 ZWVIMZOWQUNIAK-GNXNZQSNSA-N 315.333 -0.407 30 20 DBED CO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)S)C2 1801046693 WKEGRQSVDXFANC-NGDQXYMTSA-N 316.423 -0.071 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)[C@H](O)CC)C2 1841598146 PPRMLYGKEVEVPR-QWHCGFSZSA-N 308.378 -0.001 30 20 DBED C=CC[C@@H](C)C(=O)N1CC2(CCCN2C(=O)CNC(=N)N)C1 1842884567 WHUNMTFVUHXUTB-LLVKDONJSA-N 307.398 -0.115 30 20 DBED CCS(=O)(=O)CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CC#N 1847787654 RDHHOGOGSVJIJZ-QWRGUYRKSA-N 313.379 -0.463 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(CCn2cccn2)c1=O 60534446 IVNBCFBEXUIHHB-UHFFFAOYSA-N 303.322 -0.560 30 20 DBED C=C(C)CN(CC)C(=O)CN1CCNC(=O)[C@H]1CC(=O)OC 67126852 FPRLIXFVBHQJAV-GFCCVEGCSA-N 311.382 -0.226 30 20 DBED CCS(=O)(=O)NCCN(C)CCCc1n[nH]c(N)c1C#N 119859182 JTJARMQTOAQILO-UHFFFAOYSA-N 314.415 -0.333 30 20 DBED C#CCNC(=O)CN1CCCN(S(=O)(=O)CCC=C)CC1 120727356 NJIIIOUXZQJZOZ-UHFFFAOYSA-N 313.423 -0.351 30 20 DBED COCCCN(C)CCNc1c(C#N)c(=O)n(C)c(=O)n1C 266231393 JQZOZGKOIFDORL-UHFFFAOYSA-N 309.370 -0.664 30 20 DBED CC(=O)N1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)[C@H](C)C1 268639168 DFSJHMVXEFXACQ-SECBINFHSA-N 305.338 -0.987 30 20 DBED C#CCOc1ccccc1NC(=O)C(=O)N[C@@H](CO)COC 280500676 RJDMVYIYWISTQT-NSHDSACASA-N 306.318 -0.239 30 20 DBED C[C@H]1OCCN(S(=O)(=O)Cc2cccc(C#N)c2)[C@@H]1C(N)=O 284819162 UROJKEXYBYHXGQ-MFKMUULPSA-N 323.374 -0.037 30 20 DBED CN(C(=O)CNC(=O)c1ccc(C#N)cc1)[C@@H]1COC[C@H]1O 288428880 OFLBXHMVGKOGEV-CHWSQXEVSA-N 303.318 -0.494 30 20 DBED O=C(C/N=C(/O)CN1CCN(C2CC2)C(=O)C1)N1CCCC1 328647313 HJSFZIYNXRIYBU-UHFFFAOYSA-N 308.382 -0.128 30 20 DBED C/N=C(/O)[C@@H]1CCCN1C(=O)C/N=C(/O)C1CN(C(C)=O)C1 328668900 LRNQTOKREVLNKB-NSHDSACASA-N 310.354 -0.002 30 20 DBED Cc1noc([C@@H]2CCN(/C(O)=N/CC(=O)N3CCOCC3)C2)n1 329204902 WUUXEECLBRAQKA-LLVKDONJSA-N 323.353 -0.060 30 20 DBED COCCN1CC[C@H](/N=C(/O)N[C@@H]2CS(=O)(=O)C[C@@H]2C)C1 329656816 MQPXQJMPATVFQK-SDDRHHMPSA-N 319.427 -0.356 30 20 DBED CN(C)c1ncc(C/N=C(/O)N2C[C@@H]3OCCN(C)[C@@H]3C2)n1C 329956494 PPKPQZTUIGXEPY-OLZOCXBDSA-N 322.413 -0.085 30 20 DBED C/N=C(/O)NCC(=O)NCc1ccnc(N2CCN(C)CC2)c1 330544160 ZDCBCJMGYLUGKT-UHFFFAOYSA-N 320.397 -0.417 30 20 DBED CNC(=O)[C@@H]1CCCN(C(=O)CNc2ccc(C#N)cn2)C1 330552588 NQDSDSWVFQSSNQ-GFCCVEGCSA-N 301.350 0.350 30 20 DBED CCc1nn(C)cc1N=C(O)N1CCN(CC(=O)NC)CC1 330664190 YDIDIDKCXVMYEY-UHFFFAOYSA-N 308.386 -0.108 30 20 DBED CS(=O)(=O)N1CCC(N/C(O)=N/CCn2cccn2)CC1 330795704 FCFRKVJDZXEGOF-UHFFFAOYSA-N 315.399 -0.189 30 20 DBED C[C@@H](CNS(=O)(=O)N(C)CCC#N)N1CCN(C)CC1 330907734 NYGUBFUZKMSUAS-LBPRGKRZSA-N 303.432 -0.698 30 20 DBED CN(C)C(=O)C/N=C(/O)Nc1cnn(CCN2CCOCC2)c1 331042111 CYCUQAAEYFZXRJ-UHFFFAOYSA-N 324.385 -0.371 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@@H](O)[C@H]1CCOC1 337084530 CQVMIWMQHIEDTF-GRYCIOLGSA-N 305.400 -0.300 30 20 DBED N#Cc1cccc(NC(=O)C(=O)NCCN2C(=O)CCC2=O)c1 347924953 FZQWJZCFVFSLAT-UHFFFAOYSA-N 314.301 -0.238 30 20 DBED C[C@@H]1[C@H](N2CCOCC2)CCN1S(=O)(=O)N(C)CCC#N 349782632 ZVPJRZWNVBIWQF-CHWSQXEVSA-N 316.427 -0.128 30 20 DBED CC(C)NC(=O)CN(C)CC(=O)NCC1CCN(CC#N)CC1 354065996 ROTJYXIXFGHNOI-UHFFFAOYSA-N 323.441 -0.205 30 20 DBED N#CCNC(=O)CNC(=O)N1CCN(Cc2cscn2)CC1 358307414 GGNICIOHFMCLIM-UHFFFAOYSA-N 322.394 -0.390 30 20 DBED CC(C)n1cc(C#N)c(NC(=O)C(=O)NC[C@H]2CCC[C@H]2O)n1 359221171 IGBGUWZLVPWRSB-ZYHUDNBSSA-N 319.365 0.551 30 20 DBED N#Cc1ncn(CCNC(=O)c2cc([N+](=O)[O-])cnc2O)n1 359724637 MICLXDRXFXWWIN-UHFFFAOYSA-N 303.238 -0.411 30 20 DBED C=CCNC(=O)CNS(=O)(=O)CC1(C(=O)OC)CCC1 360217891 KKXCGUCQMKUQDR-UHFFFAOYSA-N 304.368 -0.449 30 20 DBED C[C@H](C#N)CN(C)C(=O)C(=O)N1CCN(CC(C)(C)O)C[C@H]1C 410939060 QOUDRWNDCWQFJX-CHWSQXEVSA-N 324.425 -0.092 30 20 DBED C[C@@H]1CN(C)CCN1C(=O)C(=O)Nc1ccn(CCC#N)n1 440268975 PONYOXJXFPSVFT-LLVKDONJSA-N 304.354 -0.102 30 20 DBED C#CCN(CC)C(=O)C(=O)Nc1ccc(OCC(N)=O)cc1 490574434 WIZBXNBOEFTJSW-UHFFFAOYSA-N 303.318 -0.029 30 20 DBED N#Cc1ncccc1S(=O)(=O)N1CC(N2CC[C@@H](O)C2)C1 593651298 DBBSGJFCDHXXIW-LLVKDONJSA-N 308.363 -0.607 30 20 DBED C[C@@H](CCN(C)C)NC(=O)C(=O)N1CCN(CCC#N)CC1 602238089 GDKRZCHHHGRASS-ZDUSSCGKSA-N 309.414 -0.499 30 20 DBED C[C@H]1C[C@H](NC(=O)C(=O)N2CCN(CCC#N)CC2)CCN1C 602244193 BDPOXUUBMHDAPE-UONOGXRCSA-N 321.425 -0.357 30 20 DBED N#Cc1cc(F)cc(S(=O)(=O)N2CC(O)(C(=O)O)C2)c1 718529329 AWQKTBRLGILBAX-UHFFFAOYSA-N 300.267 -0.483 30 20 DBED N#CCN(CC(=O)O)C(=O)CNC(=O)COc1ccccc1 739079167 SKLQCPIHYCTDFO-UHFFFAOYSA-N 305.290 -0.382 30 20 DBED C#C[C@H](N[C@H](C)C(=O)N[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCCO1 775792737 ILFHUHSTKLCONO-NDBYEHHHSA-N 314.407 -0.551 30 20 DBED N#Cc1cnn2c(O)cc(COC(=O)CN3CCOCC3)nc12 784581163 BZBMROZIUACNIG-UHFFFAOYSA-N 317.305 -0.318 30 20 DBED C=CCN1CC[C@H](OC(=O)[C@H](NC(=O)C2CC2)[C@H](C)O)C1=O 798629236 GTTBCXFDHMLFCU-ZMLRMANQSA-N 310.350 -0.408 30 20 DBED C#CCC[C@@H](O)CNC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 799073952 WZWOIZROIIGHPB-GFCCVEGCSA-N 323.374 -0.626 30 20 DBED N#CCCNC(=O)COC(=O)CNc1ccccc1C(N)=O 808582813 KYTUQSJVOHYMQW-UHFFFAOYSA-N 304.306 -0.230 30 20 DBED C#CCNC(=O)CN1CCN(c2nccnc2C(=O)OC)CC1 825701731 BTIOMNOVLCLUAM-UHFFFAOYSA-N 317.349 -0.865 30 20 DBED C=C[C@H](C)ONC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 846544452 QWLXLBWJHPDHPG-QMMMGPOBSA-N 304.306 -0.132 30 20 DBED CC1=C(C(=O)N2CCN(CC#N)CC2)[C@H](C)n2nnnc2N1C 847512321 RQDDGHCMPPHTTN-NSHDSACASA-N 316.369 -0.374 30 20 DBED C#CC[C@H](CO)NC(=O)CCCS(=O)(=O)N1CCCC1 854546592 IVSCPKWEWBLYQT-GFCCVEGCSA-N 302.396 -0.307 30 20 DBED Cc1cc(/C=C/C(=O)c2c(O)n(C)c(=O)n(C)c2=O)n(C)n1 876498212 RLADHPSQBWAZSM-AATRIKPKSA-N 304.306 -0.272 30 20 DBED C#C[C@@H](C)N(C)CC(=O)NC1CCN(S(C)(=O)=O)CC1 878517482 SAMVWOSXTLQARN-LLVKDONJSA-N 301.412 -0.520 30 20 DBED COCC1CN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 880592207 PQXAVJRUQLGOGL-UHFFFAOYSA-N 323.374 -0.170 30 20 DBED C=CCN1CC[C@H](OC(=O)CN2CCCCS2(=O)=O)C1=O 884687162 KWPRUOQFKNVRTG-NSHDSACASA-N 316.379 -0.258 30 20 DBED C#CC1(O)CN(C(=O)C[C@@](O)(c2nccn2C)C(F)(F)F)C1 890521671 OHERPQHLJOQBAR-GFCCVEGCSA-N 317.267 -0.233 30 20 DBED CC(C)[C@@](C)(C#N)NC(=O)COC(=O)CN1CCCNC1=O 915433010 GSEBQQGRNFUIAC-CQSZACIVSA-N 310.354 -0.001 30 20 DBED C=CCNC(=O)CNC(=O)[C@@H]1CC(c2cn(C)nc2C)=NO1 935267037 FHDUIHUVOAKJPT-LBPRGKRZSA-N 305.338 -0.360 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)[C@H](C)C1 944137158 ZACIHCIAAPUCOY-CHWSQXEVSA-N 320.393 -0.270 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)c2cnnc(O)c2)C1 944634815 HBYSPMTVGKELFN-ONGXEEELSA-N 319.321 -0.701 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(NC(=O)[C@H]2CN(C)CCO2)CC1 948097222 YEKUKPCDPJTWMY-WCQYABFASA-N 308.382 -0.416 30 20 DBED Cn1ncc(C(=O)NC[C@H]2CCN2C(=O)C#CC2CC2)c1N 949521999 OXNFQEYUWBGWMK-LLVKDONJSA-N 301.350 -0.254 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(CCS(C)(=O)=O)CC1 950594064 UCNWAOGLVGUTII-OLZOCXBDSA-N 316.423 -0.234 30 20 DBED O=C(Cn1cnnn1)N[C@@H]1CCCN(C(=O)C#CC2CC2)C1 950753827 LRGFZONMOPGBHL-GFCCVEGCSA-N 302.338 -0.806 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]1CNC(=O)c1cccn(C)c1=O 951354966 ZDEOEWPTSNKBEF-MNOVXSKESA-N 302.334 -0.124 30 20 DBED C[C@H](C#N)C(=O)N1CCC(N(C)C(=O)Cn2nccn2)CC1 953964296 JEEZVLUHQULMHQ-LLVKDONJSA-N 304.354 -0.113 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)COC 955854917 BYMYLNSGZATYLU-KBPBESRZSA-N 307.394 -0.162 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H]2CN(C(=O)c3nc[nH]n3)C[C@@H]21 960878682 VNZURXDZFGXOJY-LPEHRKFASA-N 304.310 -0.984 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CN(C(=O)c3cn(C)c(O)n3)C[C@H]2C1 962261225 UQDLBIQXFUUBPR-MXWKQRLJSA-N 317.349 -0.184 30 20 DBED Cc1ncc(C(=O)NC[C@H]2COCCN2C(=O)[C@@H](C)C#N)[nH]1 964124082 UWWZSZICCNUMBM-ONGXEEELSA-N 305.338 -0.165 30 20 DBED C#CCN1CC[C@H](C)[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)C1 968626621 BRUGALCLDSZCPQ-RYUDHWBXSA-N 306.366 -0.660 30 20 DBED C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)CN2C(=O)CNC2=O)C1 968628434 YKSFXAHCQWJVQZ-RYUDHWBXSA-N 308.382 -0.059 30 20 DBED COc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)o1 970059828 RLYXHACOFDKVMR-BBBLOLIVSA-N 307.306 -0.251 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)CCc3nc[nH]n3)[C@@H]2C1 971720157 WYIMYGWFEPBFCQ-IJLUTSLNSA-N 316.365 -0.044 30 20 DBED CN1CC[C@H](C(=O)N[C@H]2[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]32)C1 976535945 LEFFYBKWPIQJBP-TTZDDIAXSA-N 301.390 -0.076 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)C(N)=O)[nH]1 976540198 ZZEDSASXLBYGPU-NXEZZACHSA-N 303.322 -0.471 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)c3cnnc(O)c3)[C@H]2C1 976673945 ANVWMTMNLCKGKC-BXSSEVMYSA-N 301.306 -0.472 30 20 DBED C[C@H]1[C@H](NCC#N)CCN1C(=O)Cn1nc2n(c1=O)CCCC2 987313622 PGULRVQMSFJVJC-NWDGAFQWSA-N 318.381 -0.516 30 20 DBED CC#CCN1CCC[C@@H](NC(=O)Cn2ccc(O)nc2=O)[C@@H]1C 993551411 BFLJDTUPHVYRPB-QWHCGFSZSA-N 318.377 -0.059 30 20 DBED C=CC(C)(C)C(=O)N1CC(NC(=O)c2nnc(O)nc2O)C1 996742390 DRDVFYYBOOIQNE-UHFFFAOYSA-N 307.310 -0.564 30 20 DBED C#CCN[C@@H]1CCCN(C(=O)CN2C(=O)CC(C)(C)C2=O)C1 999155056 VLINUUFLNJOZGW-GFCCVEGCSA-N 305.378 -0.015 30 20 DBED N#Cc1ccc(C(=O)NC2CCN([C@H]3CCNC3=O)CC2)[nH]1 1002624732 CPWIJCCOVSKMHV-ZDUSSCGKSA-N 301.350 -0.031 30 20 DBED C=C(C)CN1CCC[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C1 1007457572 QVPVWYDHQMBBHJ-ZDUSSCGKSA-N 320.393 -0.296 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](NC(=O)Cn2ncnn2)C(C)(C)C1 1008176500 OYVNUCJTFVZOKJ-ZJUUUORDSA-N 305.342 -0.814 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCC1[C@H]2CN(C(=O)COC)C[C@H]12 1009187422 CKJONEYOGGPSHJ-KFWWJZLASA-N 319.405 -0.449 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C(=O)C2CCN(C(N)=O)CC2)CC1 1011119951 QHJHQVIXGXMEMA-NSHDSACASA-N 321.381 -0.392 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCN(C(=O)Cn3nccn3)C2)C1 1019363168 NGARIXGPSWERCE-NSHDSACASA-N 302.338 -0.501 30 20 DBED C[C@H](C#N)C(=O)N1CCCO[C@H](CNC(=O)c2cc[nH]n2)C1 1019537294 NXXNAYCDQQBKPX-GHMZBOCLSA-N 305.338 -0.083 30 20 DBED C[C@@H](C#N)C(=O)N1CCCO[C@@H](CNC(=O)c2ncn(C)n2)C1 1019581289 SVNYKLDPBRBBLY-QWRGUYRKSA-N 320.353 -0.678 30 20 DBED C#CCN1[C@H]2CC[C@H]1CC(NC(=O)c1cnc(O)n(C)c1=O)C2 1021343319 IGFPJTVMTXZFOL-RYUDHWBXSA-N 316.361 -0.156 30 20 DBED N#Cc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cc[nH]n3)C2)c[nH]1 1023095260 KXPGWIDAYPVGNK-VXGBXAGGSA-N 314.305 -0.775 30 20 DBED Cn1cc(C(=O)NC[C@@H]2CCCN(CC#N)C2)c(O)nc1=O 1023742851 PIISGCVBOALYHF-JTQLQIEISA-N 305.338 -0.549 30 20 DBED C#CCN1[C@H]2CC[C@H]1CN(C(=O)[C@H]1CN(C(C)=O)CCO1)C2 1029569807 GEGNINMYJVOUIF-SOUVJXGZSA-N 305.378 -0.458 30 20 DBED N#Cc1c[nH]c(C(=O)NC2CN(CC(=O)Nc3ccon3)C2)c1 1030202576 WXPNMZGFGRRMAA-UHFFFAOYSA-N 314.305 -0.073 30 20 DBED CCN1CC[C@H](N2CC(NC(=O)c3c[nH]c(C#N)c3)C2)C1=O 1030235008 MFLQCLPKAPOYQL-ZDUSSCGKSA-N 301.350 -0.079 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)[C@H]3CC(=O)N(C)C3)C2)C1=O 1030391218 WBIDRIKBZUOAKW-AAEUAGOBSA-N 320.393 -0.948 30 20 DBED C=C(Cl)CN1C[C@@H]2C[C@H]1CN2C(=O)c1cn(CC(N)=O)nn1 1032801936 MNWPYHMRIXEJPC-UWVGGRQHSA-N 324.772 -0.585 30 20 DBED C#CCN1CCO[C@H](CNC(=O)c2nc3ncc(C)cn3n2)C1 1035407926 NNEICQIINNLYBF-GFCCVEGCSA-N 314.349 -0.503 30 20 DBED C#CCCN1CCO[C@@H](CNC(=O)[C@@H]2CN(C(C)C)CCO2)C1 1035484064 WSCWGZGGTQKJNS-HOTGVXAUSA-N 323.437 -0.064 30 20 DBED N#CCN1CC2(CCN(C(=O)CN3CCOCC3=O)CC2)C1 1035722379 QYCHBUQRGFXNCP-UHFFFAOYSA-N 306.366 -0.707 30 20 DBED C=C(C)CN[C@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C[C@@H]1C 1036309954 HXHVSTVQANFSRB-RYUDHWBXSA-N 320.397 -0.220 30 20 DBED C#CCCN1CC[C@@H]2CN(C(=O)CN3CC(=O)NC3=O)CC[C@H]21 1036843171 BCNHQHSVCWOFGS-CHWSQXEVSA-N 318.377 -0.516 30 20 DBED C=C(Cl)CN1C[C@H]2C[C@H]1[C@H]2NC(=O)Cn1cnc(C(N)=O)n1 1037415488 IZQNEXHYBPGRAT-YWVKMMECSA-N 324.772 -0.682 30 20 DBED C#CCN[C@H]1CCN(C(=O)CN2CCC(=O)NC2=O)C[C@@H]1CC 1037945017 BRUVAMQBSFKLMU-STQMWFEESA-N 320.393 -0.222 30 20 DBED C=CCC(C)(C)C(=O)NC[C@]1(O)CCN(C(=O)CC(N)=O)C1 1039731652 AXHINLZVDBQVBQ-OAHLLOKOSA-N 311.382 -0.456 30 20 DBED N#Cc1nccnc1N1C[C@@H]2CCN(C(=O)Cn3nccn3)[C@@H]2C1 1040730769 LLODDYKORWCNBD-WCQYABFASA-N 324.348 -0.323 30 20 DBED Cc1ncoc1C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1O 1040984172 VJQIDTGJVVWMME-NXEZZACHSA-N 314.305 -0.376 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(O)(CNC(=O)c2ncoc2C)C1 1041815272 ZZLACZCYSOAZQK-CQSZACIVSA-N 323.349 -0.387 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)c2c(C)ccn2C)C1 1042039645 GBDQOYXTZKGBJM-UHFFFAOYSA-N 321.377 -0.161 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)c2cocn2)C1 1042059817 MRHRIABMMAAJLG-UHFFFAOYSA-N 307.306 -0.982 30 20 DBED C[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1NC(=O)[C@H]1CNC(=O)N1 1042461777 ZGTOLYIWCBQGBY-OASPWFOLSA-N 314.349 -0.424 30 20 DBED C=C[C@](C)(CC)C(=O)N1CC(O)(CNC(=O)CC(=O)NC)C1 1042727888 SCYPUKCGVFFKFX-CQSZACIVSA-N 311.382 -0.586 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(O)CN(C(=O)c2nocc2C)C1 1042810592 ZEIRQOYGZQCDHF-CQSZACIVSA-N 323.349 -0.387 30 20 DBED CC#CCCCC(=O)N1CC(O)(CNC(=O)c2ncn(C)n2)C1 1042898325 SEBAZTKQGFUIET-UHFFFAOYSA-N 319.365 -0.688 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)C1CN(Cc2cn(C)nn2)C1 1042960064 LALVJNFSSKHUAS-HNNXBMFYSA-N 316.409 -0.445 30 20 DBED C[C@@H](CC(=O)NCC1(O)CN(C(=O)[C@H](C)C#N)C1)n1ccnc1 1043077815 RKDUMZMTFOCLFI-NEPJUHHUSA-N 319.365 -0.317 30 20 DBED C=C[C@@](C)(CC)C(=O)N1CC(O)(CNC(=O)Cn2nccn2)C1 1043211242 YYARULDASVADDI-AWEZNQCLSA-N 321.381 -0.430 30 20 DBED C=CCCN1CC(N(C)C(=O)Cn2ncn3nccc3c2=O)C1 1043997296 CVNWKUHJHSHINI-UHFFFAOYSA-N 316.365 -0.390 30 20 DBED C=C(C)CCN1CC(N(C)C(=O)CN2C(=O)CN(C)C2=O)C1 1044271233 AUDHNACMRVKPAQ-UHFFFAOYSA-N 308.382 -0.011 30 20 DBED N#CCN1CCC2(CC1)CO[C@@H](CNC(=O)[C@H]1CCC(=O)N1)C2 1045665029 VEALDFJDYYRYIZ-CHWSQXEVSA-N 320.393 -0.224 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)[C@]2(C)CCC(=O)N2)C1 1046202841 NDIDCJFXODQIFK-HNNXBMFYSA-N 323.393 -0.443 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)COc2ccccc2)C1 1046442757 OEDHGBRBFIBZPW-GFCCVEGCSA-N 317.345 -0.085 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CC23CC3)C1 1047147361 AVDZVMNDKFGAQY-LBPRGKRZSA-N 306.362 -0.484 30 20 DBED C=CCCC(=O)N(C)[C@H]1CN(C(=O)[C@]2(C)CNC(=O)C2)C[C@@H]1O 1048539982 OVMOPWIWOMJXLM-MKBNYLNASA-N 323.393 -0.491 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CCCO2)C[C@@H]1O 1048852045 CSYUYWPJNGOMKA-XUXIUFHCSA-N 324.377 -0.766 30 20 DBED C#CCCN1C[C@H]2CN(C(=O)Cn3ccc(O)nc3=O)C[C@H]2C1 1048922741 GBJGJMKIULPLOB-BETUJISGSA-N 316.361 -0.638 30 20 DBED C=C(C)CCC(=O)N(C)[C@H]1CN(C(=O)Cn2cncn2)C[C@@H]1O 1048941117 KDPNFZWWDBVBGF-STQMWFEESA-N 321.381 -0.336 30 20 DBED Cc1ccnn1CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)C#N)C1 1049401276 CUBXLLNQLIYLFI-WXHSDQCUSA-N 319.365 -0.619 30 20 DBED C=C1CC(C)(C(=O)N(C)[C@H]2CN(C(=O)CNC(N)=O)C[C@@H]2O)C1 1049494626 MGGQMEYQRDNLCF-QWRGUYRKSA-N 324.381 -0.959 30 20 DBED C#CCOCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC23CC3)C1 1049631970 RHEJVYXVSAKKBT-IHRRRGAJSA-N 320.389 -0.144 30 20 DBED C#CCCCC(=O)N1CC[C@H]([C@H](C)NC(=O)CNC(N)=O)C1 1050579742 DPFBDQBAFLJZHK-RYUDHWBXSA-N 308.382 -0.189 30 20 DBED N#CCN1CCN([C@@H]2CCN(C(=O)c3cc[n+]([O-])cc3)C2)CC1 1051976969 MGFXPDIVUCEWJE-OAHLLOKOSA-N 315.377 -0.324 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1C 1053159910 CJSMGBAYWMIQSG-WDEREUQCSA-N 307.354 -0.168 30 20 DBED CNC(=O)CN1CC2(C[C@H](NC(=O)c3cc(C#N)c[nH]3)CO2)C1 1053766962 ZJVIFTHQASQLKT-NSHDSACASA-N 317.349 -0.795 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)c3ccc(C(N)=O)[nH]3)CO2)C1 1053926835 MLGFHTXEVBSGKC-LLVKDONJSA-N 316.361 -0.290 30 20 DBED C=CCCN1CC2(C[C@H](NC(=O)C[C@H]3CC(=O)NC3=O)CO2)C1 1054026161 RCFUGTSUZBRYSA-RYUDHWBXSA-N 321.377 -0.425 30 20 DBED C[C@@H](C#N)C(=O)N[C@]1(CO)CCCN(C(=O)c2cccnn2)C1 1056097637 SRSLTIHTDQFOPS-XHDPSFHLSA-N 317.349 -0.280 30 20 DBED C[C@H](C#N)C(=O)N[C@]1(CO)CCCN(C(=O)Cc2ncc[nH]2)C1 1056098040 YPFUESDWUKPRLL-IAQYHMDHSA-N 319.365 -0.418 30 20 DBED N#Cc1ccc(N2C[C@H]3[C@H](NC(=O)[C@@H]4CCC(=O)N4)[C@H]3C2)cn1 1056264999 YRHOWLVKAJOIAG-SFDCQRBFSA-N 311.345 -0.217 30 20 DBED N#Cc1nccnc1N1C[C@H]2C(NC(=O)Cc3nc[nH]n3)[C@@H]2C1 1056297419 OXPRCUZGWRQMIB-RKDXNWHRSA-N 310.321 -0.740 30 20 DBED CN(c1ccc(C#N)nn1)[C@@H]1CCN(C(=O)c2cn(C)nn2)C1 1056916867 ITVMJTSCCYKZKM-LLVKDONJSA-N 312.337 -0.172 30 20 DBED N#Cc1nccc(N2CCCN(C(=O)[C@H]3CNC(=O)N3)CC2)n1 1057216446 TYQHRFDHAMJDGM-SNVBAGLBSA-N 315.337 -0.932 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)Cc1cc[nH]n1 1057439480 OUPSLGIWGKDKPL-UHFFFAOYSA-N 306.366 -0.307 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)c1n[nH]c2c1CCC2 1058056613 CQKWUPKDNYFSJR-SNVBAGLBSA-N 319.365 -0.391 30 20 DBED C=CCCCC(=O)N(CCO)CCNC(=O)[C@H]1CCC(=O)N1 1058621291 AIZDORCJDIMBNS-GFCCVEGCSA-N 311.382 -0.442 30 20 DBED C#CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)c1oncc1C 1058698666 DTESVBKPRRWBLX-LBPRGKRZSA-N 323.349 -0.428 30 20 DBED N#Cc1ccc(N[C@H]2CCN(C(=O)[C@H]3CNC(=O)N3)C2)cn1 1059049434 OYBLTLXKWVDHJK-NWDGAFQWSA-N 300.322 -0.353 30 20 DBED CC(=O)N(C)CC(=O)N1CC[C@@H](CCNC(=O)[C@H](C)C#N)C1 1059199333 DIHFAPZTQFLVHO-DGCLKSJQSA-N 308.382 -0.021 30 20 DBED C#CCNC(=O)CC(=O)N1CCOC[C@@H]1CNC(=O)CC(C)C 1061225295 CFPJZYPZDWPVCK-ZDUSSCGKSA-N 323.393 -0.484 30 20 DBED CNC(=O)CC(=O)N1CCOC[C@H]1CNC(=O)C#CC(C)(C)C 1061575137 KAYLLHFZFIUAHO-GFCCVEGCSA-N 323.393 -0.484 30 20 DBED C=CCO[C@@H](C)C(=O)NC[C@@H]1COCCN1C(=O)c1cc[nH]n1 1061667421 FIHKWKAEGTUMMT-NWDGAFQWSA-N 322.365 -0.042 30 20 DBED Cc1cc(C#N)nc(N2C[C@@H]3C[C@H]2CN3C(=O)c2cnn[nH]2)n1 1062611389 GSAFOHPNHSPLON-QWRGUYRKSA-N 310.321 -0.122 30 20 DBED C=CCOCC(=O)NCC1(NC(=O)[C@H]2CCNC(=O)C2)CCC1 1062702548 VBUVTSSIEZMHCU-LBPRGKRZSA-N 323.393 -0.130 30 20 DBED N#Cc1nccc(N2CCO[C@@H](CNC(=O)c3cn[nH]c3)C2)n1 1063609757 SRTIZGSNQHHRBS-NSHDSACASA-N 313.321 -0.293 30 20 DBED CC[C@H]1CN(C(=O)C(N)=O)CC[C@@H]1Nc1ccc(C#N)nn1 1064413024 NLUOFFWPQVHFFL-ONGXEEELSA-N 302.338 -0.127 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)[C@H]2COCCO2)CCO1 1064881113 OCOUXFUXUSQGGI-UONOGXRCSA-N 324.377 -0.451 30 20 DBED C#CCNC(=O)CC(=O)N1CCO[C@H](CNC(=O)C(C)(C)C)C1 1065065357 PJKGHAIPUISWGP-GFCCVEGCSA-N 323.393 -0.484 30 20 DBED C#CCC1(C(=O)N2CCO[C@H](CNC(=O)C(N)=O)C2)CCC1 1065230673 IYAOVEYCVINYBQ-LLVKDONJSA-N 307.350 -0.991 30 20 DBED Cc1nnccc1C(=O)N1CCO[C@H](CNC(=O)[C@H](C)C#N)C1 1065388805 ATTUZJMXLGZTLF-ZYHUDNBSSA-N 317.349 -0.098 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@H](CNC(=O)COCC(F)F)C1 1065559636 GDPXQZCLGWOYAF-VHSXEESVSA-N 319.308 -0.229 30 20 DBED N#Cc1c[nH]ccc1=NCC[C@@H]1CCN(C(=O)CC(N)=O)C1 1066289756 GQWLZYSPKCQONS-LLVKDONJSA-N 301.350 -0.099 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC2(CN(C(=O)CCOC)CCO2)C1 1068273741 IOSGHPPAQGNIHU-ZDUSSCGKSA-N 324.377 -0.499 30 20 DBED C[C@]12CN(C(=O)C(N)=O)C[C@@]1(C)CN(c1cncc(C#N)n1)C2 1068426638 DIVDISBFIOXIJX-GASCZTMLSA-N 314.349 -0.492 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2cnnn2C)C1 1069919579 XHWJCXTZNOMDIP-PWSUYJOCSA-N 302.342 -0.752 30 20 DBED N#Cc1ccc(C(=O)N2C[C@H](n3ccnn3)[C@H](NCCO)C2)[nH]1 1070176744 PQZSRIRFGRMYRF-OLZOCXBDSA-N 315.337 -0.875 30 20 DBED Cn1cncc1[C@@H]1CN(C(=O)CC(C)(C)O)C[C@H]1NCC#N 1070643308 VIQBIKDAKIZPOL-VXGBXAGGSA-N 305.382 -0.011 30 20 DBED C#CCOCCC(=O)N1CCC[C@@H](NC(=O)c2nc[nH]n2)C1 1070728616 YQRFTSAUQWTPQA-LLVKDONJSA-N 305.338 -0.435 30 20 DBED C#CCOCCC(=O)N1CCC[C@@H](NC(=O)[C@@H]2COCCO2)C1 1070729458 MDLOHYCGQYDJMK-KGLIPLIRSA-N 324.377 -0.451 30 20 DBED C=CCN1C[C@H]2C[C@@H]3CN(C(=O)[C@H]4COC(=O)N4)C[C@@]3(C1)O2 1070793448 ILJMCSSSYKNECC-RTWAVKEYSA-N 307.350 -0.418 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)[C@@H]4CCN(C)C4)C[C@@]3(C1)O2 1070888897 HHTRDAZIHHLYJT-KCYZZUKISA-N 303.406 -0.127 30 20 DBED C=CCCN1CCNC(=O)CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1 1071001243 NTQPZUPXQAJHHF-OLZOCXBDSA-N 322.409 -0.666 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)CN2CCCC2)CC1 1071020686 PDGGGZJUDJPBJQ-UHFFFAOYSA-N 306.410 -0.634 30 20 DBED C#CCCN1CCCO[C@@H](CNC(=O)[C@H]2CCCC(=O)N2)C1 1073651997 MJUGHHFDLRRBLD-UONOGXRCSA-N 307.394 -0.115 30 20 DBED COc1cc(C(=O)NC[C@@H]2CN(CC#N)CCCO2)nn1C 1073690338 UHDRDGYWDVWVJA-LLVKDONJSA-N 307.354 -0.227 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(C(=O)CC(=O)NC)C[C@@H]1C 1073819812 JSMSKVOLFWUJAR-NWDGAFQWSA-N 311.382 -0.322 30 20 DBED C[C@@H]1C[C@@H](NC(=O)C#CC2CC2)CCN1C(=O)Cn1cnnn1 1074980292 WQEVJUCYENBIGC-YPMHNXCESA-N 316.365 -0.418 30 20 DBED C=C[C@](C)(O)CC(=O)NCC[C@H](C)NC(=O)CNC(=O)NC 1076308330 BEYYDNWBHSAONG-HZMBPMFUSA-N 314.386 -0.747 30 20 DBED CCc1nnc(O)c(C(=O)N[C@@H]2CN(CC#N)C[C@H]2O)c1CC 1077082055 YNUGDIKARNWKOZ-VXGBXAGGSA-N 319.365 -0.395 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2cnc3sccn3c2=O)C1 1077335286 KJHPVJKZNUVNOH-NXEZZACHSA-N 319.346 -0.946 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCN(CC(F)F)C2)C1 1077583651 GGCWNQYTANQAFU-YNEHKIRRSA-N 315.364 -0.242 30 20 DBED C#CCN[C@H]1C[C@H]2CC[C@H]1N(C(=O)c1cn(C)c(=O)nc1O)C2 1079105050 FPMBHFRYNSOGQW-KGYLQXTDSA-N 316.361 -0.298 30 20 DBED COc1ccc(CN2C[C@@H](NC(=O)C(N)=O)[C@H](C)C2)cc1C#N 1080367545 JGMQCGBPGNPTMR-ZWNOBZJWSA-N 316.361 -0.011 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(N(CC)C(=O)Cc2nc[nH]n2)C1 1080591638 UISSBOMNVMHTKF-HNNXBMFYSA-N 321.381 -0.266 30 20 DBED O=C(NC1(CO)CCN(C(=O)C#CC2CC2)CC1)[C@@H]1CCOC1 1080762370 UPWRBTWGGBKKRJ-CQSZACIVSA-N 320.389 -0.094 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CO)(NC(=O)Cc2cc[nH]n2)CC1 1080789808 SZGKRNUTVASZJU-NSHDSACASA-N 319.365 -0.418 30 20 DBED C[C@@H](C#N)C(=O)NC1(CO)CCN(C(=O)c2n[nH]cc2F)CC1 1080981366 CBTXYZGGXBBIPI-VIFPVBQESA-N 323.328 -0.208 30 20 DBED C#CCCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)COCC=C)C1 1081346873 NLYSVKSNQSZAHH-ZIAGYGMSSA-N 308.378 -0.072 30 20 DBED C#CCOCCC(=O)N1C[C@H](O)[C@H](CNC(=O)C2(C)CC2)C1 1081545115 NANVYNCFOAIUDR-OLZOCXBDSA-N 308.378 -0.238 30 20 DBED C=CCCC1(C(=O)NC[C@@H]2CN(C(=O)CC(N)=O)C[C@@H]2O)CC1 1081742267 RPPBGCDDHRSGLJ-NEPJUHHUSA-N 323.393 -0.456 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1ccc2nn[nH]c2n1 1081768636 XAIATCHCVDZLNI-GHMZBOCLSA-N 301.310 -0.695 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@@H]1CCc2c[nH]nc2C1 1082379505 ZYBCMWNNQHTLAW-LERXQTSPSA-N 303.366 -0.146 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](NC(=O)CN2CCCNC2=O)C1 1083601239 LTETXSHLBSSVOX-OLZOCXBDSA-N 310.398 -0.471 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2cc(OC)nc(OC)c2)C1 1083605980 ZVLVCHBXBIWYQL-NEPJUHHUSA-N 305.334 -0.493 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)C[C@H]2CCS(=O)(=O)C2)C1 1083617577 SHXIKNVKZHHSPJ-UTUOFQBUSA-N 302.396 -0.842 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)Cc2ccc3c(c2)CCO3)C1 1083682509 AWYJSRYEVXHLRX-CABCVRRESA-N 300.358 -0.042 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)c2cnc3c(cnn3C)c2)C1 1083889975 KWRBOQVLROANSU-OLZOCXBDSA-N 301.350 -0.071 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCCCN2C(N)=O)C1 1083939631 NTVGWBMUPRZWFR-AGIUHOORSA-N 308.382 -0.896 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)Cn3nc(C)ccc3=O)[C@@H]2C1 1084788712 VXLJICFVCJLNNR-ZIAGYGMSSA-N 300.362 -0.282 30 20 DBED CN(C[C@@H]1CCN1[C@H]1CCNC1=O)C(=O)c1c[nH]c(C#N)c1 1085556685 XHVVBNAKMFEAPE-STQMWFEESA-N 301.350 -0.079 30 20 DBED C#CCN[C@H]1C[C@H](CNC(=O)C2CC3(C2)NC(=O)NC3=O)C1 1086503590 BHLRRKZUUAJZOQ-DGSUZPGTSA-N 304.350 -0.908 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@@H]2CCOC2)C[C@H]1c1cnn(C)c1 1086970420 QVZKPVUTLAMQBF-VHDGCEQUSA-N 302.378 -0.026 30 20 DBED C#CCN[C@@H]1CCCCCN(C(=O)CCn2ncn(C)c2=O)C1 1088353462 ZFKNPFNDTSAUOZ-CQSZACIVSA-N 319.409 -0.034 30 20 DBED C#CCCN1CC[C@H](NC(=O)[C@H]2CN(C(C)=O)CCO2)[C@H]1C 1089014986 WZQNTIDVQKLIAY-VHDGCEQUSA-N 307.394 -0.164 30 20 DBED C#CCN1CC[C@H](NC(=O)c2nc(OC)cc(OC)n2)[C@@H](O)C1 1090363215 KXOFSORCXPQYFU-QWRGUYRKSA-N 320.349 -0.708 30 20 DBED N#CCN1CC[C@@H](NC(=O)Cn2cc(C3CC3)cn2)[C@@H](O)C1 1090373513 IPSQIRYYVMBIMO-KGLIPLIRSA-N 303.366 -0.165 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(c2nccc(OC)n2)C[C@@H]1O 1091101611 JROGCMNBMACNRK-JRPNMDOOSA-N 322.365 -0.522 30 20 DBED CC(=O)NC(C)(C)C(=O)N1CCN(c2nccnc2C#N)CC1 1093163659 GXXIXWWHBYFESY-UHFFFAOYSA-N 316.365 -0.088 30 20 DBED Cc1nc(NCCNC(=O)Cn2c(O)nnc2O)ccc1C#N 1093779798 WRUVIKOSVDWZES-UHFFFAOYSA-N 317.309 -0.507 30 20 DBED C[C@]1(C(=O)NCCNc2cnc(C#N)cn2)CCNC(=O)C1 1094233827 VEXYWKRUEVIVAW-AWEZNQCLSA-N 302.338 -0.207 30 20 DBED C=CCN1CCN(C(=O)c2cncnc2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094625917 GXAUBKQVQBARPK-QWHCGFSZSA-N 322.390 -0.414 30 20 DBED C#CCCN1CC(N2C[C@@H](NC(=O)c3cnns3)CC2=O)C1 1094711302 DEAAORCEMZBOQZ-JTQLQIEISA-N 319.390 -0.424 30 20 DBED N#Cc1nc(=NCCCNC(=O)[C@H]2CC[C@@H](C(N)=O)C2)cc[nH]1 1094785323 LJCVFNJTMSJMRI-MNOVXSKESA-N 316.365 -0.410 30 20 DBED CN(CCCNC(=O)CCNC(N)=O)c1cnc(C#N)cn1 1095556932 UHDMXCWXZHMSFC-UHFFFAOYSA-N 305.342 -0.651 30 20 DBED Cn1cc(C(=O)NC[C@H](N=c2cc[nH]c(C#N)n2)C2CC2)nn1 1096640150 YWXGZPGXPFGSDM-JTQLQIEISA-N 312.337 -0.481 30 20 DBED CC[C@H](NC(C)=O)C(=O)N[C@H]1C[C@@H](N=c2cc[nH]c(C#N)n2)C1 1097255820 SKFPXNNMJMFNPA-TUAOUCFPSA-N 316.365 -0.256 30 20 DBED CC(=O)NCC(=O)NC[C@@H]1CCCN(c2cncc(C#N)n2)C1 1097269511 LFMLQYQYWUMGFB-LBPRGKRZSA-N 316.365 -0.183 30 20 DBED CNC(=O)CC(=O)NC[C@@H]1CCCCN1c1ccnc(C#N)n1 1097421817 VAZJVRQUZRJLMK-NSHDSACASA-N 316.365 -0.041 30 20 DBED Cc1cc(C#N)nc(N[C@@H](C)CNC(=O)[C@H]2CCC(=O)N2)n1 1097722122 SSMVEAAUGKFEIH-GXSJLCMTSA-N 302.338 -0.148 30 20 DBED C[C@@H]1CN(C(=O)Cn2ncnn2)CC2(CCN(CC#N)CC2)O1 1098600088 TYYNPZGOXFMRME-GFCCVEGCSA-N 319.369 -0.721 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(Cc2nc(CC)no2)C[C@@H]1O 1099738120 JADMTOXJVYGYCT-RYUDHWBXSA-N 324.381 -0.114 30 20 DBED CCN(C)C(=O)CN1CC[C@@H](NC(=O)C#CC2CC2)[C@@H](O)C1 1099813251 MPWZLWJKRDOMIO-KGLIPLIRSA-N 307.394 -0.571 30 20 DBED C=CCCN1CC[C@H](NC(=O)C(=O)NCC(F)F)[C@H](O)C1 1099901924 QETOBOMZAUMDFE-VHSXEESVSA-N 305.325 -0.505 30 20 DBED Cc1cc(N(C)CCNC(=O)Cn2cnnc2O)c(C#N)cn1 1100030574 YFMIEBYXPWDDKY-UHFFFAOYSA-N 315.337 -0.189 30 20 DBED CCCN(CCNC(=O)[C@H]1CCC(=O)N1)c1cnc(C#N)cn1 1101107736 TVYYOORIFLPIOV-GFCCVEGCSA-N 316.365 -0.041 30 20 DBED CCCN(CCNC(=O)[C@H](C)NC(N)=O)c1nccnc1C#N 1101139825 XXISULVRYMPOIU-JTQLQIEISA-N 319.369 -0.262 30 20 DBED CNC(=O)CC(=O)N1C[C@@H]2C[C@H]1CN2c1nc(C)cc(C#N)n1 1102547889 TXSZRKJUAGTOGF-RYUDHWBXSA-N 314.349 -0.418 30 20 DBED CC[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)N=c1cc[nH]cc1C#N 1103277690 NJELTUVXZYTGTQ-JQWIXIFHSA-N 302.338 -0.637 30 20 DBED COC[C@H](OC)C(=O)N1CCC[C@@H]1CN=c1cc[nH]c(C#N)n1 1103822403 LIOBUYKFPIMFBB-NEPJUHHUSA-N 319.365 -0.166 30 20 DBED CC(=O)N(C)CC(=O)NC[C@@H](C)CNc1cnc(C#N)cn1 1103876763 VGOSBZJDUYSOKX-JTQLQIEISA-N 304.354 -0.009 30 20 DBED C[C@H](CNC(=O)[C@@H]1CCN(C)C1=O)CNc1cnc(C#N)cn1 1104158904 DYJKBFZRSVMTPB-JQWIXIFHSA-N 316.365 -0.009 30 20 DBED CC(C)(O)CC(=O)NC[C@@H]1CN(c2cncc(C#N)n2)CCO1 1104308458 LQCGPJGIXDWUPX-GFCCVEGCSA-N 319.365 -0.169 30 20 DBED C[C@H](C(=O)N1CC(n2cc(CNCC#N)nn2)C1)n1cccn1 1105169788 NFEOFZSVAUPRBZ-LLVKDONJSA-N 314.353 -0.268 30 20 DBED C=CCOCC(=O)N(C)CCN(C)c1ccc2nnnn2n1 1105351518 YTLQFXDOBXRDJH-UHFFFAOYSA-N 305.342 -0.384 30 20 DBED COC(=O)NCC(=O)N1CCOC2(CCC(NCC#N)CC2)C1 1105458885 JYGOCEVTGOFBRH-UHFFFAOYSA-N 324.381 -0.004 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H]1CCC[C@H]1NC(=O)CNC(N)=O 1105653901 BXJQABMEPSYTKA-ZWNOBZJWSA-N 316.365 -0.260 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](O)CNC(=O)Cn2cccn2)n1 1105722332 MEXUWHPPLNXLDP-LBPRGKRZSA-N 315.337 -0.558 30 20 DBED Cc1nc(NC[C@@H](O)CNC(=O)[C@H]2COCCO2)ccc1C#N 1105780774 VINZGILZHAUNDU-CHWSQXEVSA-N 320.349 -0.434 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)[C@@H]2CCNC(=O)C2)cn1 1105791280 SZFVIRIOQKVRQN-ZWNOBZJWSA-N 317.349 -0.632 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)CN2CCCC2)cn1 1105856607 WRSNRQPYMCGERQ-AWEZNQCLSA-N 303.366 -0.062 30 20 DBED N#Cc1cnc(NC[C@H](O)CNC(=O)c2nc[nH]n2)c(Cl)c1 1105932331 GHMMSPUKSSTMQM-QMMMGPOBSA-N 321.728 -0.072 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)C(=O)NCC2CC2)nc1 1105953650 DJRPOZAYSIGULD-LBPRGKRZSA-N 317.349 -0.632 30 20 DBED N#Cc1cccnc1NC[C@@H](O)CNC(=O)c1cnnc(O)c1 1105993378 KVIAZSIVYBLVEY-LLVKDONJSA-N 314.305 -0.348 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](O)CNC(=O)c2[nH]nnc2C)n1 1106035996 QHEAGIIDSIXNQB-JTQLQIEISA-N 316.325 -0.714 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](C)[C@H](CN[C@@H](C)C(=O)NC(N)=O)C1 1106104652 BTENQCDXFDSWNZ-FRRDWIJNSA-N 322.409 -0.087 30 20 DBED C#CCOCCC(=O)NCc1cn(C2CN(CC#CC)C2)nn1 1107169842 WFGLUOFRPAOPBI-UHFFFAOYSA-N 315.377 -0.186 30 20 DBED C[C@@]1(CNC(=O)C#CC2CC2)CN(CC(=O)N2CCC2)CCO1 1107930774 OYSKAHOOZIDTJH-QGZVFWFLSA-N 319.405 -0.161 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)C[C@@H]2CCN(C)C2=O)C1 1108015392 WUOASJMWHOKSMZ-XJKSGUPXSA-N 307.394 -0.305 30 20 DBED CCC(=O)N1CC[C@H](C(=O)NC[C@]2(C)CN(CC#N)CCO2)C1 1108328008 YRKKOVDOLFVIHO-XJKSGUPXSA-N 322.409 -0.024 30 20 DBED C#CCCN1CCO[C@@](C)(CNC(=O)C[C@H]2CC(=O)NC2=O)C1 1108446794 JLYBVGSDGZHULA-LRDDRELGSA-N 321.377 -0.730 30 20 DBED COCCCN1CC(N2C[C@@H](NC(=O)[C@@H](C)C#N)CC2=O)C1 1108527384 ICDKPSZRLDMWCK-RYUDHWBXSA-N 308.382 -0.416 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)CO[C@H](C)CC)CC2=O)C1 1108532365 GEJJYQRFSNOKMS-OLZOCXBDSA-N 307.394 -0.164 30 20 DBED CCOCCN1CC(N2C[C@@H](NC(=O)C#CC3CC3)CC2=O)C1 1108545589 ZDWVDMARLLIEDB-AWEZNQCLSA-N 319.405 -0.162 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CSCC#N 1108947156 HAPBODSJYYLORU-AGIUHOORSA-N 320.418 -0.286 30 20 DBED COC(=O)NCC(=O)NCC1(Nc2cnc(C#N)cn2)CC1 1110066459 HRAWFVQRAYQONG-UHFFFAOYSA-N 304.310 -0.235 30 20 DBED N#Cc1nccnc1NCCN(CCO)C(=O)[C@H]1CCOC1 1111445569 IGCZVOABPWCMGZ-NSHDSACASA-N 305.338 -0.382 30 20 DBED N#Cc1nc(=NCCN(CCO)C(=O)[C@@H]2CCOC2)cc[nH]1 1111445875 RMFHQKKYHWDCEC-LLVKDONJSA-N 305.338 -0.961 30 20 DBED N#Cc1nccnc1NCC[C@H]1CCN(C(=O)CNC(N)=O)C1 1111593159 DQNDJKQXPMOPGO-JTQLQIEISA-N 317.353 -0.333 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H]1COCCN1c1cc(F)ncn1 1111699870 DJQOQTKCPLZHQT-VXGBXAGGSA-N 322.340 -0.025 30 20 DBED N#Cc1cnc(NC2(CNC(=O)[C@H]3CNC(=O)N3)CCC2)cn1 1111890767 NSXUESQAPDQEGY-SNVBAGLBSA-N 315.337 -0.520 30 20 DBED CN(CCCN(C)c1ccc(C#N)cn1)C(=O)Cn1cnnn1 1112040533 OICUXOOOBZUOMO-UHFFFAOYSA-N 314.353 -0.075 30 20 DBED C=C(C)CN(CC)C(=O)CN1CCN(C(=O)CC(N)=O)CC1 1112732646 SVXQAHORUHGJIS-UHFFFAOYSA-N 310.398 -0.569 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCN([C@@H](C)C(=O)NCC=C)CC1 1112841548 BWYROOYHPRHKOP-KBPBESRZSA-N 307.394 -0.140 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)CN2CCC[C@H]2C)CC1 1113343793 DZJHNVRUPFOQML-CQSZACIVSA-N 306.410 -0.636 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)Cn2nccc2C)CC1 1113389620 KTFNVMIMQUGVGK-UHFFFAOYSA-N 305.382 -0.362 30 20 DBED C[C@H](CNC(=O)CN1CCCC1=O)N(C)c1cncc(C#N)n1 1113489307 VSFZIZVPAGWSQJ-LLVKDONJSA-N 316.365 -0.088 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCC(=O)N1)N(C)c1nccnc1C#N 1113543002 MFQQHFWSBGXJOF-VHSXEESVSA-N 302.338 -0.432 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)Cn3cc(C)cn3)[C@H]2C1 1113952852 KNEFELUXCPVYTJ-FOLVSLTJSA-N 302.378 -0.112 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)c3cc(C#N)c[nH]3)[C@@H]2C1 1114103145 GKZGTSMXBFNVEW-VXGBXAGGSA-N 313.361 -0.151 30 20 DBED C=C(C)CN1C[C@H]2C(NC(=O)CN(C)S(C)(=O)=O)[C@@H]2C1 1114363801 KQDXMPXZFPZUTE-GHMZBOCLSA-N 301.412 -0.500 30 20 DBED N#CCC1(O)CN(C(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)C1 1116868088 UTXWYWTXHCVWDP-UHFFFAOYSA-N 300.274 -0.683 30 20 DBED C[C@@H](CNC(=O)C(=O)N1CC[C@@](O)(CC#N)C1)N(C)C1CC1 1118217682 ZQGCNTDULXHOTB-NHYWBVRUSA-N 308.382 -0.538 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@H]([C@H]2CCCN2CCO)C1 1120372980 KTUMJTOABIAQLF-LSDHHAIUSA-N 321.421 -0.179 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)Cn2cccn2)nn1 1121054616 FPCANBXWPMIYJG-NSHDSACASA-N 301.310 -0.866 30 20 DBED N#Cc1nccnc1N[C@@H](CO)CNC(=O)Cc1cccnc1 1121447027 RKWCZFIHSRDQKU-GFCCVEGCSA-N 312.333 -0.125 30 20 DBED CC(=O)NC(C)(C)C(=O)NC[C@@H](CO)Nc1ncccc1C#N 1121778555 VOPCBAQRXRGFBN-LBPRGKRZSA-N 319.365 -0.243 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)C23CCN(CC2)C3)nn1 1121806241 JKFOULLWEHATBY-GFCCVEGCSA-N 316.365 -0.667 30 20 DBED Cc1cnn(C)c1C(=O)NC[C@@H](CO)Nc1cnc(C#N)cn1 1122341329 GRWUFDRECJUYPC-NSHDSACASA-N 315.337 -0.407 30 20 DBED C[C@H]1CCN(CC(=O)NC[C@@H](CO)N=c2cc[nH]cc2C#N)C1 1122528582 VSTQIPPKQDIQAY-JSGCOSHPSA-N 317.393 -0.394 30 20 DBED C=CCn1cc(C(=O)NC[C@@H](CO)Nc2nc(C)ns2)nn1 1122637055 QJLYUADTBXTTDJ-VIFPVBQESA-N 323.382 -0.173 30 20 DBED CC[C@@H](NC(C)=O)C(=O)NC[C@@H](CO)Nc1nccnc1C#N 1122643429 CHCSXVCWCQQVKS-WDEREUQCSA-N 320.353 -0.848 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)c1cc(C)[nH]n1 1124247726 UYAFOMJDEWQTKE-SNVBAGLBSA-N 322.369 -0.562 30 20 DBED CN(C[C@H](O)CN(C)c1nccnc1C#N)C(=O)[C@@H]1CCOC1 1124996056 XLZPSXHIYZGIRT-VXGBXAGGSA-N 319.365 -0.360 30 20 DBED CCCC(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@@H]1n1ccnn1 1128656997 LUNCUFWLPILNPV-NEPJUHHUSA-N 319.369 -0.941 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)C[C@@H](C)COC)CC1 1131390469 HTFKAEPONPAQHV-CQSZACIVSA-N 309.410 -0.057 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)CNC(=O)CC)CC[C@@H]1C 1131908762 MZLOHKCBEQDEEU-STQMWFEESA-N 324.425 -0.216 30 20 DBED Cn1cc2c(n1)CCC[C@@H]2C(=O)NCCNCC(=O)NCC#N 1132927129 YUAZWMGYKOJDDT-NSHDSACASA-N 318.381 -0.814 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)Cn1ccnc1C(C)C 1134575005 XOLPSRMSXANVES-ZDUSSCGKSA-N 319.409 -0.150 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NCCNCCNC(=O)C1CC1 1134816670 GRXCBIJPGBTOJL-AWEZNQCLSA-N 324.425 -0.311 30 20 DBED C[C@H](C[C@@H](C)NC(=O)c1cnc(O)n1C)NCC(=O)NCC#N 1135188952 RPARHHWICSZTHC-NXEZZACHSA-N 322.369 -0.748 30 20 DBED C#CCN[C@H](C)C[C@@H](C)NC(=O)Cn1[nH]cc2c(=O)ncnc1-2 1135695866 WMQAHOCMDOZIHI-GHMZBOCLSA-N 316.365 -0.423 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@@H]1Cc2c(C)cccc2O1 1148000485 QXCLBDLAMIRLQM-HNNXBMFYSA-N 315.373 -0.246 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)CCCC(=O)N(C)C)C1=O 1148211624 QTOCABSPJYRDIL-ZDUSSCGKSA-N 324.425 -0.262 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)c2ccc(O)nc2)C1=O 1149763796 VYQBTAQUCSFUQY-LBPRGKRZSA-N 304.350 -0.107 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cn2c(C)cccc2n1 1150548339 GNXBIUNTMDNMBP-UHFFFAOYSA-N 313.361 -0.288 30 20 DBED C=CCNC(=O)CN(CC)[C@H](C)CNC(=O)c1ncn(C)n1 1153139340 OYWNAXJSGUJHAI-LLVKDONJSA-N 308.386 -0.443 30 20 DBED COCCCNC(=O)CNCCCNC(=O)c1ccc(C#N)[nH]1 1156703321 LGRKEOCPGLNBFA-UHFFFAOYSA-N 321.381 -0.251 30 20 DBED CNC(=O)CC(=O)N1CCCC[C@@H]1CN(C)CC(=O)NCC#N 1157865116 MLYGBWHTLKHENH-GFCCVEGCSA-N 323.397 -0.925 30 20 DBED N#CCNC(=O)CNCCCNC(=O)[C@@H]1C[C@H]1c1ccncc1 1158343767 MNXSAULHHDPMGQ-UONOGXRCSA-N 315.377 -0.079 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)Cn2nccn2)C1=O 1158909184 LFWYHOMACZSQFU-GFCCVEGCSA-N 306.370 -0.839 30 20 DBED C[C@H](C#N)C(=O)NCCC1=CCN([C@H](C)C(=O)NC(N)=O)CC1 1159595417 YQVQQZFMPAEXQS-GHMZBOCLSA-N 321.381 -0.132 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)[C@H]1CCN(C)C1=O 1164295391 NNGCXYDUWBNNGO-NWDGAFQWSA-N 310.398 -0.749 30 20 DBED C#Cc1ccc(C(=O)NCCCNCCN2CCNC2=O)cn1 1171594673 KOEFOYIJKMLNCN-UHFFFAOYSA-N 315.377 -0.202 30 20 DBED C[C@@H](CCCCNCC(=O)NCC#N)NC(=O)[C@H]1CCNC1=O 1174658401 CZALIRTVEJZJBH-RYUDHWBXSA-N 323.397 -0.973 30 20 DBED CC#CCNCCCNC(=O)C[C@@]1(C)CCS(=O)(=O)N1 1174665593 AAIQHABQAIBQJR-CYBMUJFWSA-N 301.412 -0.423 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)[C@H]1CCN(C(C)=O)C1 1174851430 RDHPOTNMNIKWGR-OCCSQVGLSA-N 324.425 -0.359 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@@H](C)c1cnn(C)c1 1177672891 SJMUTRRPCJDVMR-LBPRGKRZSA-N 305.382 -0.631 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)c2cncnc2O)C1 1183521458 DTEWLUUPLBMJQC-SNVBAGLBSA-N 305.338 -0.712 30 20 DBED Cc1nn(C)c(C)c1C(=O)N1CC[C@@H](NCC(=O)NCC#N)C1 1184701659 XEWCOUOWGRIKJV-GFCCVEGCSA-N 318.381 -0.519 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3ccon3)[C@@H]2C1 1187046778 IIJFIWRBRXUAPA-WCQYABFASA-N 302.334 -0.430 30 20 DBED C=CCN1CC[C@H](N(C)[C@@H]2CCN(C(=O)CNC(C)=O)C2)C1=O 1188693001 IBBOFYKSUKXSPY-KGLIPLIRSA-N 322.409 -0.558 30 20 DBED C=CCOCC(=O)N1CC[C@@H](N(C)C[C@H](O)Cn2cccn2)C1 1189372344 XFFQUQMTWDAWCS-CABCVRRESA-N 322.409 -0.021 30 20 DBED COCC#CCN(C)[C@@H]1CCN(C(=O)[C@H]2CCNC(=O)C2)C1 1189631504 HHGRBNYUDOZGPS-UONOGXRCSA-N 307.394 -0.305 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2cnn(CC)n2)C1 1189984055 QFNMREBVWBBWBZ-LBPRGKRZSA-N 320.397 -0.254 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C2[C@H]3CCC[C@H]23)C1 1192037039 DQZGVWXKDNMHCQ-WUHRBBMRSA-N 307.394 -0.504 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@H](C)NC(=O)c2ccoc2)C1 1193167248 RWQOKYHOXIQEIF-CYZMBNFOSA-N 305.334 -0.808 30 20 DBED C=CCC[C@H](C)N1C[C@@H](O)[C@H](NC(=O)c2nnc(O)nc2O)C1 1194430309 AFKPVWBKDUDSJB-IVZWLZJFSA-N 323.353 -0.588 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)c2n[nH]c(C)c2O)CC1 1195488282 PSAMJGGVOTYWKC-UHFFFAOYSA-N 321.381 -0.126 30 20 DBED C=CCCCN1C[C@@H](O)[C@H](NC(=O)CCCS(N)(=O)=O)C1 1195747850 ZNGMDYLBFPHIHF-VXGBXAGGSA-N 319.427 -0.817 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCCN([C@@H](C)C(N)=O)CC1 1197354366 SVFJLYDZDWIYMT-GXTWGEPZSA-N 324.425 -0.135 30 20 DBED C[C@@H](OCC(=O)N[C@@H]1CN(CC#N)C[C@H]1O)c1nccn1C 1198234464 ZPJVEZYPWVZSHT-IJLUTSLNSA-N 307.354 -0.817 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CCN(C(=O)CNC(=O)CC)CC1 1199848375 WQMPUXIKWDDMRD-GFCCVEGCSA-N 322.409 -0.769 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)COCC=C)CC1 1204793450 HKGCYNDZNVICNB-UHFFFAOYSA-N 307.394 -0.233 30 20 DBED C#CCCN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)Cn1c(O)nnc1O)C2 1204919766 LOIAVXPTQCQCSM-IJLUTSLNSA-N 319.365 -0.318 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)c2cnn(C)c2)[C@H](C)C1 1205909621 YQJFBHCXTSCJTB-DGCLKSJQSA-N 305.382 -0.228 30 20 DBED Cc1cc(C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@H]2C)n(C)n1 1206273993 OZOPAMHDRPJFII-ZYHUDNBSSA-N 318.381 -0.582 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)Cc2ccon2)[C@H](C)C1 1206746979 WELPVOWTLVDQBI-YRGRVCCFSA-N 318.377 -0.209 30 20 DBED Cc1nc[nH]c1CC(=O)N1CCC[C@H](NCC(=O)NCC#N)C1 1210847793 SGSLYZBFZHPWHF-LBPRGKRZSA-N 318.381 -0.519 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)c2nonc2C)[C@H](C)C1 1211462941 IPJJRKBFJLIHRU-YUSALJHKSA-N 319.365 -0.434 30 20 DBED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)[C@H]1CCCCO1 1212122854 SXDMWEGXGWSKAE-JHJVBQTASA-N 324.381 -0.989 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(CC(=O)NCC=C)C[C@H]1OC 1212189089 QOOCGLPFOPXJDT-ZIAGYGMSSA-N 307.394 -0.093 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)Cc2ccon2)C[C@H]1C 1214375061 FLLLBVQGGWEMPK-MBNYWOFBSA-N 318.377 -0.209 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H](C)OCC 1217348937 GPAOORPOYCOUSY-HZSPNIEDSA-N 323.393 -0.928 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)CCC(F)F)C1 1220021144 JHIUFCFKLQBNKV-MXWKQRLJSA-N 317.336 -0.669 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2nonc2C)C[C@@H]1O 1221143497 GXTLRNQGRDIZGF-RTXFEEFZSA-N 310.354 -0.370 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)c2cncn2C)CC1 1223736443 IVOWMFMVYOZEIP-UHFFFAOYSA-N 317.393 -0.389 30 20 DBED COCC#CCN1CCC(NC(=O)CCS(C)(=O)=O)CC1 1228023318 HKJUVJOCIHVSKH-UHFFFAOYSA-N 316.423 -0.349 30 20 DBED CC(C)(NS(C)(=O)=O)C(=O)NC1CCN(CC#N)CC1 1229508338 LLZDGRCJOOONFU-UHFFFAOYSA-N 302.400 -0.582 30 20 DBED N#CCN1CCS(=O)(=O)[C@@H](CCNC(=O)c2cc[nH]c2)C1 1230461919 IDYCRFBQEIZEHM-LBPRGKRZSA-N 310.379 -0.243 30 20 DBED CN(C[C@@H]1CCN1CCN1CCNC1=O)C(=O)C#CC1CC1 1234179545 WPVVOBCQWFFWIE-AWEZNQCLSA-N 304.394 -0.042 30 20 DBED C#CCCN1CC[C@@H]1CN(C)C(=O)[C@@H](C)NS(=O)(=O)CC 1234444905 HXJOLMWDAHFSDV-CHWSQXEVSA-N 315.439 -0.130 30 20 DBED CC(C)[C@@H](C(=O)N(C)C[C@@H]1CCN1CC(=O)NCC#N)N(C)C 1235589831 UZXPMWYETYCQGL-ZFWWWQNUSA-N 323.441 -0.255 30 20 DBED C=C[C@H]1CCCCN1C(=O)C(=O)NC[C@@H]1CN(C)CCN1C 1258384455 XALHOTABCFZTNG-UONOGXRCSA-N 308.426 -0.085 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)NCCN(C)CC(F)(F)F 1261149316 YLONZLXSKARYMP-VIFPVBQESA-N 311.304 -0.086 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)N2CCC[C@H]2CCO)CCN1C1CC1 1261861543 ZWSSXYSIGKZPBQ-JSGCOSHPSA-N 320.393 -0.441 30 20 DBED C#CC[C@@H]1NC(=O)N(c2ccc(=O)n(CCN(C)C)c2)C1=O 1262384683 MDNKGEMSCYXMEU-LBPRGKRZSA-N 302.334 -0.142 30 20 DBED C#CCNCC(=O)NC1CCN(S(=O)(=O)CC(C)C)CC1 1263124764 TUPRLFBOHSOUIH-UHFFFAOYSA-N 315.439 -0.224 30 20 DBED Cc1nc[nH]c1C(=O)N1CCCC[C@@H]1CNCC(=O)NCC#N 1265693305 HGJSXVTYEAYOKY-GFCCVEGCSA-N 318.381 -0.058 30 20 DBED N#Cc1cccc(NC(=O)C(=O)NC[C@H](O)C(F)(F)F)n1 1326076312 BNQQCXOUSDCZJQ-ZETCQYMHSA-N 302.212 -0.069 30 20 DBED N#CCCn1ccc(NC(=O)C(=O)N2C[C@@H]3C[C@]3(CO)C2)n1 1343252372 UURBOUIZMHRHOW-IINYFYTJSA-N 303.322 -0.424 30 20 DBED CO[C@@H]1C[C@H](NC(=O)C(=O)N2CCO[C@H](C#N)C2)C12CCC2 1345437134 LBLKXVJJMLGULQ-GRYCIOLGSA-N 307.350 -0.189 30 20 DBED C[C@@H]1OCCN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)[C@H]1C 1351771134 YTTKBVKGZIFXCY-SGMGOOAPSA-N 320.393 -0.179 30 20 DBED COC(=O)C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C#N)C2)CCO1 1353023704 LUMMMZBIWBPKTJ-VXGBXAGGSA-N 323.349 -0.461 30 20 DBED C[C@@H](C(=O)NC[C@@H]1CCCS(=O)(=O)C1)n1cnc(C#N)n1 1361484097 ZQNHILBERFMCJZ-UWVGGRQHSA-N 311.367 -0.348 30 20 DBED CCn1cnnc1CNC(=O)CCn1cc(C#N)c(O)nc1=O 1361651769 JMHXBDMGKIAPGM-UHFFFAOYSA-N 317.309 -0.862 30 20 DBED COC(=O)C1(NC(=O)CCn2cc(C#N)c(O)nc2=O)CCC1 1362643695 IKAYXBCRLOVGNM-UHFFFAOYSA-N 320.305 -0.577 30 20 DBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCOCN1 1363524852 UEQQKUKJMMYCLJ-JTQLQIEISA-N 324.362 -0.454 30 20 DBED N#Cc1cccc(C(=O)N2CCC(C(=O)NCCO)CC2)n1 1364247833 LYADHUYHVXXTCN-UHFFFAOYSA-N 302.334 -0.086 30 20 DBED C[C@@H](CN(C)C)NC(=O)NCCn1cc(C#N)c(O)nc1=O 1364294912 YCOQXTJZGZDBFS-VIFPVBQESA-N 308.342 -0.930 30 20 DBED C[C@H](C#N)C(=O)N(C)CCN(C)C(=O)C[C@H]1CCC(=O)NC1 1376310505 SSRCBQVTSPGRKC-VXGBXAGGSA-N 308.382 -0.021 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)c2ccc3nn[nH]c3n2)CC1 1379080924 IABDLQQXHSVEBZ-QMMMGPOBSA-N 313.321 -0.109 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CN(C)C(=O)CCN1CCCC1=O 1383000844 WJKCHYONWHNSEY-NEPJUHHUSA-N 324.381 -0.906 30 20 DBED CCCN(CCNC(=O)[C@@H](C)C#N)C(=O)CS(=O)(=O)NC 1388601159 VCIYTKFQJZTBPV-JTQLQIEISA-N 318.399 -0.950 30 20 DBED COc1nccc(C(=O)N2CC(CNC(=O)[C@@H](C)C#N)C2)n1 1398809354 CISPLTRTBDTYNC-VIFPVBQESA-N 303.322 -0.167 30 20 DBED CCN(CCC#N)S(=O)(=O)NC1CN(c2ccncn2)C1 1413417679 IJEPHXWJCGOGSR-UHFFFAOYSA-N 310.383 -0.265 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1cccc2c[nH]nc12 1416779314 RFRNGDSDLTWZNH-ONGXEEELSA-N 315.333 -0.071 30 20 DBED C[C@@]1(CO)CCCN1C(=O)CCn1cc(C#N)c(O)nc1=O 1417707558 BZUDOIVAALIWMO-AWEZNQCLSA-N 306.322 -0.416 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1C[C@H](NCC(=O)NC[C@@H]2CCCO2)C1 1417781783 NQNPGAQBSXZSJJ-XUXIUFHCSA-N 322.409 -0.074 30 20 DBED CC[C@H](CNC(=O)c1cc(C#N)c[nH]1)NCc1nc(=O)n(C)[nH]1 1419170246 VOCYNFVHMWJXOB-SNVBAGLBSA-N 317.353 -0.394 30 20 DBED C[C@H](C#N)C(=O)N(CCNC(=O)[C@H]1CCC(=O)NC1)C1CC1 1429939228 ZVDUEOPCINMGJG-MNOVXSKESA-N 306.366 -0.221 30 20 DBED CCCS(=O)(=O)CC(=O)NCC1(NC(=O)[C@H](C)C#N)CC1 1432177373 BYUISHPBEPPZOQ-SNVBAGLBSA-N 315.395 -0.264 30 20 DBED CC[C@H](CNC(=O)c1cn(CCOC)nn1)NC(=O)[C@@H](C)C#N 1432699733 ZKCWVKDIZGHINH-WDEREUQCSA-N 322.369 -0.291 30 20 DBED CCCn1cc(C(=O)NC[C@@H](O)CNC(=O)[C@@H](C)C#N)nn1 1433332484 FFWSCIPBYMSGCJ-UWVGGRQHSA-N 308.342 -0.945 30 20 DBED C=C(Cl)CNC[C@@H](O)CNC(=O)[C@H]1CN(CC)CCO1 1439063000 UMZMPQHHKKFTHU-VXGBXAGGSA-N 305.806 -0.474 30 20 DBED CCNC(=O)CNC[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCO1 1447275606 WDJVVFXZAYRUAZ-GFCCVEGCSA-N 319.365 -0.547 30 20 DBED C[C@H](C#N)C(=O)NCC1CN(C(=O)c2ccc(C(N)=O)nc2)C1 1450711393 LDHJBNZOKIYOCX-SECBINFHSA-N 315.333 -0.472 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)COc2ccccc2)C1 1452666476 JVMOYHRLXRNMCM-IACUBPJLSA-N 317.345 -0.087 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)c2cccn3nnnc23)CC1 1459100431 UHKXYEOFGJVLCT-SECBINFHSA-N 313.321 -0.337 30 20 DBED CN(CCNC(=O)[C@@H]1CCCC(=O)N1C)c1ccc(C#N)nn1 1478263106 VYLKYPVPIICFJQ-LBPRGKRZSA-N 316.365 -0.088 30 20 DBED CNC(=O)NCCC(=O)N1CCC2(C1)CN(C(=O)[C@@H](C)C#N)C2 1488844252 ZXLRMGVBAVDALE-NSHDSACASA-N 321.381 -0.474 30 20 DBED CC(=O)NCC(C)(C)C(=O)N[C@H]1[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]21 1494461427 COHOIYUPWYXXGF-XEZLXBQYSA-N 320.393 -0.119 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)c2cnnc(C)c2)C1 1494702239 PAWZOIWQOQOIGB-ZDUSSCGKSA-N 301.350 -0.661 30 20 DBED CN(CC(=O)N1CCOCC1)c1nnc(CCCC#N)n1C 1519970161 CBTFNPIFJJDPLE-UHFFFAOYSA-N 306.370 -0.044 30 20 DBED CC[C@H](CNC(=O)CN(C)C(=O)COC)NC(=O)[C@@H](C)C#N 1531250781 WSAUQLLBGHAXCP-WDEREUQCSA-N 312.370 -0.738 30 20 DBED C=C(Cl)CN[C@]1(CO)CCCN(C(=O)CNC(=O)O)C1 1573344279 RPIACSLKDRXVCB-GFCCVEGCSA-N 305.762 -0.050 30 20 DBED N#Cc1ccc(S(=O)(=O)NCCn2cnc(C(=O)O)c2)nc1 1574250092 SKPZPZPDILVEFW-UHFFFAOYSA-N 321.318 -0.174 30 20 DBED CN1CC[C@](O)(CNc2cnc(-c3nn[nH]n3)c(C#N)n2)C1 1579348355 BHIHDJMIUFRJDD-LBPRGKRZSA-N 301.314 -0.993 30 20 DBED C#C[C@@H]1COCCN1C(=O)C(=O)N1CCC2(CC1)C[C@H]2C(=O)O 1588384066 UJZQWFWWPUZTQJ-NEPJUHHUSA-N 320.345 -0.440 30 20 DBED C#CCN(CC(=O)O)C(=O)CNS(=O)(=O)c1ccc(C)cc1 1588401959 HMEJEJLOMGSNEA-UHFFFAOYSA-N 324.358 -0.180 30 20 DBED C[C@H](CCN(C)C)C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[nH]1 1589820256 GLBWNJKXXDAACN-SSDOTTSWSA-N 303.330 -0.012 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)NC[C@H](CC(=O)O)C2CC2)CCO1 1601062845 KIPVWOOENKQORK-WDEREUQCSA-N 317.367 -0.454 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)NC[C@@H](O)CC(=O)O)cc1 1601093771 GBQRXIARCKCIGD-NSHDSACASA-N 305.290 -0.760 30 20 DBED N#Cc1nc(=NC2CCN(C(=O)[C@@H]3C[C@@H]3C(=O)O)CC2)cc[nH]1 1601134724 ZSNOKZYEGMLJKL-MNOVXSKESA-N 315.333 -0.106 30 20 DBED C#CCN(CC)c1nnc(Cn2cnc(-c3nn[nH]n3)n2)n1C 1602717817 CNKPZFSNBFPIBK-UHFFFAOYSA-N 313.329 -0.906 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)[C@@H]1C[C@H]1C(=O)O 1603700079 KEFHWMJALDSBCH-VXGBXAGGSA-N 310.350 -0.696 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC(O)(C(=O)O)CC1 1604061318 RYGRBLBBOSWXNW-VIFPVBQESA-N 305.356 -0.623 30 20 DBED N#CCNC(=O)CNS(=O)(=O)c1cccc(F)c1C(=O)O 1610622838 JTTUSDAYXQOOPA-UHFFFAOYSA-N 315.282 -0.558 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1CCN(CC(=O)NC)C1 1665576254 VXNOHXISGUOFKY-CHWSQXEVSA-N 310.398 -0.606 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC[C@@H](NC(=O)Cc2cc[nH]n2)C1 1714920341 XBOJPUVALDZYAA-GXTWGEPZSA-N 317.393 -0.329 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C(C)C)N(C)C 1714996228 YTEYVKHDIQEIBE-DZKIICNBSA-N 320.437 -0.393 30 20 DBED C#CCN1CCN(CCNC(=O)[C@@]2(C)CCNC(=O)C2)CC1 1752367138 GUHXJJPDBIEXJR-INIZCTEOSA-N 306.410 -0.730 30 20 DBED CC#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)CN(C)C(=O)COC 1752535248 AOGYJFKTPYDEGG-OKILXGFUSA-N 307.394 -0.210 30 20 DBED C#CCNC(=O)CNC[C@@H]1CCCN(C(=O)c2cnc(C)[nH]2)C1 1752793063 HUHGOXSFKDXQNZ-ZDUSSCGKSA-N 317.393 -0.091 30 20 DBED C#CCCNC/C=C\CNC(=O)C1(n2cnnn2)CCOCC1 1754180718 GNGUEWIZFKXBDQ-PLNGDYQASA-N 318.381 -0.536 30 20 DBED C=CCOCC(=O)NC[C@H]1CCN1CCN1C(=O)CCC1=O 1754474615 CBAGGFDCLCALBU-GFCCVEGCSA-N 309.366 -0.472 30 20 DBED C=CCNC(=O)[C@H](C)N1CC[C@@H]1CNC(=O)c1cnn(CC)n1 1754483862 PZZDTHPKNWUPRA-NWDGAFQWSA-N 320.397 -0.207 30 20 DBED C#CCN(C(=O)C(N)=O)C1CCN(Cc2cnns2)CC1 1754640041 FLSFGAUMULBKLX-UHFFFAOYSA-N 307.379 -0.550 30 20 DBED C=CCNC(=O)CN1CC[C@@](O)(CNC(=O)[C@@H](CC)OC)C1 1754745724 GRNXJPFHMUZVRQ-IUODEOHRSA-N 313.398 -0.733 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@@]1(O)CCN(CCF)C1 1754760980 WRTRDFNAEXVAJS-ZFWWWQNUSA-N 315.389 -0.020 30 20 DBED C#CCNC(=O)[C@H](C)N1CC(O)(CNC(=O)c2ccc(C)o2)C1 1754763650 ZSZZHBAQIODRIV-LBPRGKRZSA-N 319.361 -0.498 30 20 DBED CCOc1cccc(CC(=O)NCC2(O)CN(CC#N)C2)n1 1754771169 OMVQTCSVWTUMAG-UHFFFAOYSA-N 304.350 -0.291 30 20 DBED COCC(=O)NC[C@@H]1C[C@@H]2CC[C@H](C1)N2CC(=O)NCC#N 1754828061 DFAFJROBIUFZEF-CLLJXQQHSA-N 308.382 -0.368 30 20 DBED N#CCNC1CCN(CCNC(=O)c2cnnc(O)c2)CC1 1754849212 LASOLIFGBNAHKZ-UHFFFAOYSA-N 304.354 -0.510 30 20 DBED O=C(C#CC1CC1)N[C@@]1(CO)CCCN([C@H]2CCCNC2=O)C1 1754856845 SFRFKIGJWBRWOU-YOEHRIQHSA-N 319.405 -0.379 30 20 DBED N#CCN1CCC[C@](CO)(NC(=O)[C@H]2CCc3nncn3C2)C1 1754861447 MIJYDJKXUVQYHX-WFASDCNBSA-N 318.381 -0.693 30 20 DBED C=CCOCC(=O)N1CC2(CCN(CC(=O)NC(N)=O)CC2)C1 1754958431 HLORDLUHMZBLFV-UHFFFAOYSA-N 324.381 -0.692 30 20 DBED Cc1nccc(C(=O)NCC2(NCC(=O)NCC#N)CCC2)n1 1754992844 UDWISOXSTIFNIV-UHFFFAOYSA-N 316.365 -0.333 30 20 DBED C=CCOCCNC[C@@H]1CN(C(=O)Cc2nc[nH]n2)CCO1 1755013286 SZPSFWCNHZXYQQ-GFCCVEGCSA-N 309.370 -0.633 30 20 DBED N#CCNC(=O)CN1CCC[C@@H](NC(=O)c2nc[nH]n2)CC1 1755029533 OJUJKKQFLCVOQB-SNVBAGLBSA-N 305.342 -0.971 30 20 DBED C[C@@H]1C[C@H](NC(=O)CCCC(N)=O)CCN1CC(=O)NCC#N 1755166537 YOWYGURGPBMJTF-VXGBXAGGSA-N 323.397 -0.749 30 20 DBED C[C@H](NCC(=O)NCC#N)[C@H](C)NC(=O)CCn1cccn1 1755227494 UOGDZJOCZIFUIM-RYUDHWBXSA-N 306.370 -0.604 30 20 DBED C#CCNC(=O)CN(C)[C@@H](C)CNC(=O)[C@]1(C)CCNC(=O)C1 1755305081 JGTMULXICYOYIP-BLLLJJGKSA-N 322.409 -0.911 30 20 DBED C[C@H](NC(=O)CN1CCCC1)C1CN(CC(=O)NCC#N)C1 1755391332 IYIDZNPVQBGNFM-LBPRGKRZSA-N 307.398 -0.842 30 20 DBED C#CCNC(=O)CN[C@H](C)[C@@H]1CN(C(=O)c2ccoc2)CCO1 1755438522 JTMZHRPETHIALI-OCCSQVGLSA-N 319.361 -0.152 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)Cc2cc[nH]n2)[C@H]1C 1755649798 BTDWGYWKLPPZMQ-WCQYABFASA-N 303.366 -0.719 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H](CO)CNC(=O)c1ccc(F)nc1 1756509650 TWPCIUNIUSVMLU-PWSUYJOCSA-N 323.324 -0.534 30 20 DBED CC#CCCCC(=O)N[C@@H](CO)CNC(=O)[C@@H]1[C@H]2COC[C@H]21 1756541980 AJYJGCOLGSWREP-CXTNEJHOSA-N 308.378 -0.334 30 20 DBED C#CCOCCC(=O)N[C@H](CO)CNC(=O)[C@@H]1C[C@@H]2C[C@@H]2C1 1756543270 MQPQRFMUHDCUMR-DGAVXFQQSA-N 308.378 -0.334 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](CO)NC(=O)c1c[nH]nc1C 1756549879 ILLVLTGLHHZKRH-WZRBSPASSA-N 322.365 -0.484 30 20 DBED C#CCOCCC(=O)N1C[C@H](NC(=O)Cn2cncn2)C[C@@H]1C 1756590223 OGJYQBZKHNUAAG-QWHCGFSZSA-N 319.365 -0.576 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@H](NC(=O)CC(C)(C)O)C1 1756991520 BNYMRSKZGBPTAM-GHMZBOCLSA-N 300.355 -0.962 30 20 DBED C#CCOCCC(=O)N[C@H]1CCN(C(=O)[C@H](C)NC(N)=O)[C@@H]1C 1757511929 PSAWUVQUZRJWIO-TUAOUCFPSA-N 324.381 -0.811 30 20 DBED N#Cc1ccc(CNC(=O)NC[C@H]2CC[C@H](C(N)=O)O2)nc1 1771701485 CPILSVLLQXZKER-VXGBXAGGSA-N 303.322 -0.215 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N1CCO[C@](C)(C(=O)O)C1 1776215353 LFHYXMKNWDTKHW-KOLCDFICSA-N 305.356 -0.502 30 20 DBED C=CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@H](O)C1 1797152676 YYNCQDPOONKZCD-DEWSTNBRSA-N 308.378 -0.077 30 20 DBED C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](COC)NC(C)=O 1798644339 QSMKNLRWDLGYRA-CRWXNKLISA-N 321.377 -0.591 30 20 DBED C#CC(=O)NC[C@@H]1CCN(C(=O)C(O)O)[C@H]1c1cccnc1 1812524500 QBFBCRJPMZOAHR-AAEUAGOBSA-N 303.318 -0.969 30 20 DBED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)Cn1cccn1)C2 1846195523 ZXARYSZWKFDFCL-UHFFFAOYSA-N 316.317 -0.826 30 20 DBED C[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1)C(N)=O 43674869 RGCVIRXVHHSWNR-VIFPVBQESA-N 324.362 -0.831 30 20 DBED C[C@@H](C(=O)N(C)CCC#N)N1CCN(S(C)(=O)=O)CC1 49332382 WSAAYIAUFZZTML-NSHDSACASA-N 302.400 -0.676 30 20 DBED CCS(=O)(=O)N1CCC[C@H](C(=O)/N=C2/N=C(O)CN2)C1 50174944 PAIFZQPGHWVWNK-QMMMGPOBSA-N 302.356 -0.510 30 20 DBED CN(C)C(=O)[C@@H]1CC[C@@H](C/N=C(\N)N2CCSCC2)O1 91537489 LMNNHKGSBGBIIL-QWRGUYRKSA-N 300.428 -0.014 30 20 DBED C[C@@H](O)C(=O)N1CCN(CC(=O)NC2(C#N)CCCCC2)CC1 153091777 IBITWVUPZRNQSV-CYBMUJFWSA-N 322.409 -0.146 30 20 DBED CC[C@@H](C)/N=C(/NCC(=O)N(C)C)N1CCN(C(C)=O)CC1 262327928 ULSHDOHJPWOKGW-GFCCVEGCSA-N 311.430 -0.017 30 20 DBED C#CCNC(=O)c1ccc(NCCCNS(C)(=O)=O)nc1 264898551 RAQQNQIYLZDWOT-UHFFFAOYSA-N 310.379 -0.204 30 20 DBED C[C@]1(C(N)=O)CCN(CCS(=O)(=O)c2ccc(C#N)cn2)C1 289591165 ZPERPDHYKYWYIJ-AWEZNQCLSA-N 322.390 -0.076 30 20 DBED C[C@H](O)CN1CCN(/C(O)=N/[C@H]2CCc3ncnn3C2)CC1 329245609 AIQZSSBFUNGJLF-RYUDHWBXSA-N 308.386 -0.495 30 20 DBED Cn1c(N2CC[C@@H](N3CCCC3=O)C2)c(C#N)c(=O)n(C)c1=O 330046171 DROLNEDPWBQRGM-SNVBAGLBSA-N 317.349 -0.843 30 20 DBED C[C@@H]1CN(S(=O)(=O)N2CCO[C@@H](C#N)C2)C[C@@H](C2CC2)O1 337167258 CHKKSMLBITXKKH-WXHSDQCUSA-N 315.395 -0.045 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCCCOC(F)F)C1=O 338092783 XZYNVXFIIPXVAW-UHFFFAOYSA-N 319.264 -0.291 30 20 DBED CN(C(=O)CNC(=O)c1ccc(C#N)cc1)[C@H]1CCNC1=O 340717236 WNYHVMTXQGCVHQ-LBPRGKRZSA-N 300.318 -0.365 30 20 DBED N#CCNC(=O)CNC(=O)c1csc(-c2cnccn2)n1 343523850 LPHQZMUSZGJSQG-UHFFFAOYSA-N 302.319 -0.030 30 20 DBED C[C@H](CC(=O)NCC(=O)NCC#N)NC(=O)c1ccccc1 343528476 SFOSPNZLBVHURP-LLVKDONJSA-N 302.334 -0.049 30 20 DBED CC[C@H]1CN(S(=O)(=O)N(C)CCC#N)C[C@@H](C)S1(=O)=O 344921196 TZGPIZVYKKSNMU-MNOVXSKESA-N 323.440 -0.026 30 20 DBED CCN(C)S(=O)(=O)CCCS(=O)(=O)NC1(C#N)CC1 349530573 DOMFAQADOILXOA-UHFFFAOYSA-N 309.413 -0.366 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N(C)C1CCN(CCO)CC1 357650307 QCCCGYSQCBJSKT-LBPRGKRZSA-N 312.414 -0.225 30 20 DBED C=CC[C@@H](CO)CNC(=O)C(=O)Nc1cn(C)c(=O)cc1C 359504221 PASBNYVFHBNWGH-LLVKDONJSA-N 307.350 -0.067 30 20 DBED COC(=O)[C@H]1CN(S(=O)(=O)N(C)[C@@H](C)CC#N)C[C@@H](C)O1 367026527 MZZRXTCVFYFUHK-HBNTYKKESA-N 319.383 -0.273 30 20 DBED CCNS(=O)(=O)[C@@H]1CCN(S(=O)(=O)CCCC#N)C1 371399924 BLYYNALPUVQZAE-SNVBAGLBSA-N 309.413 -0.366 30 20 DBED C#CCCCS(=O)(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O 376264648 HWCHHKRYGHFYBF-GFCCVEGCSA-N 310.379 -0.142 30 20 DBED N#CC1(NC(=O)CN2CC[C@H](S(N)(=O)=O)C2)CCCCC1 408002164 BYLGIFCGKNWXQZ-NSHDSACASA-N 314.411 -0.308 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N[C@H](CN)CC(C)C)nn1 424545532 LOWWHLKFXHHXPN-NSHDSACASA-N 308.386 -0.430 30 20 DBED C=CCn1cc(CNC(=O)NCC(=O)NCC(F)F)nn1 425563042 HVMKUTPCOVVISS-UHFFFAOYSA-N 302.285 -0.355 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)c2c[nH]ccc2=N)CC1 444171330 XIQOKEPBOQSBNE-UHFFFAOYSA-N 303.366 -0.446 30 20 DBED COC(=O)[C@@H]1CNC(=O)CN1CCOc1ccccc1C#N 447908827 CBJHNLPHVNLGKP-LBPRGKRZSA-N 303.318 -0.090 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)/C=C\c2ccc[nH]2)CC1 491126498 PHAPMRDWULZCIF-WAYWQWQTSA-N 300.362 -0.079 30 20 DBED C#CCNC(=O)CCN1CCN(S(=O)(=O)CC)C[C@H]1C 491210502 VJASQBCRCLWNLV-GFCCVEGCSA-N 301.412 -0.518 30 20 DBED Cn1c(N2CCOC[C@H]2C2CCC2)c(C#N)c(=O)n(C)c1=O 575919109 VNRHOCKADDNSQX-LBPRGKRZSA-N 304.350 -0.039 30 20 DBED N#CCNC(=O)CNC(=O)Nc1ccc2c(c1)NC(=O)CO2 588230977 SABHMDQNNMOZTK-UHFFFAOYSA-N 303.278 -0.221 30 20 DBED CS(=O)(=O)N1CC[C@H](NC(=O)N2CC[C@](F)(C#N)C2)C1 593447723 IHDPVDVGFLQGFZ-ONGXEEELSA-N 304.347 -0.333 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N1CC(N2CC[C@@H](O)C2)C1 593651771 QORLHKUMLAEMFO-ZYHUDNBSSA-N 302.400 -0.927 30 20 DBED CC[C@H](C#N)N(C)C(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 594088722 KGSWBYKFWJSORS-AIPRNEOBSA-N 305.334 -0.091 30 20 DBED C=CCCSCCNC(=O)C(=O)N1CCO[C@@H](CN)C1 595283103 HXUBSARGYAAGPG-NSHDSACASA-N 301.412 -0.402 30 20 DBED Cc1nc(CC(=O)N(CCC#N)CCN2CCOCC2)n[nH]1 597023662 YEHNJRHASPKHLT-UHFFFAOYSA-N 306.370 -0.270 30 20 DBED CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)COc1ccccc1C#N 598024312 AINCJWHFXBXHCZ-WCQYABFASA-N 324.358 -0.135 30 20 DBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1C[C@H](O)C1 598527896 KDQNODYTGDNAME-YUSALJHKSA-N 323.374 -0.135 30 20 DBED CC#CCN(C)CC(=O)NC1CCN(S(C)(=O)=O)CC1 639660437 WLHIQCRFMWQYKP-UHFFFAOYSA-N 301.412 -0.518 30 20 DBED CN(CC#CCN(C)C[C@@H]1COCCO1)C[C@H]1COCCO1 661613613 ZMZYRHRMNJQMDB-IYBDPMFKSA-N 312.410 -0.316 30 20 DBED C=CCOC[C@H]1NC(=O)N(CC(C)(C)NS(C)(=O)=O)C1=O 672063260 ZQPJBQXZMRUNCB-SECBINFHSA-N 319.383 -0.563 30 20 DBED N#Cc1cccnc1NCCNC(=O)NCCn1cncn1 726707931 ITBDHYOUFKFBJO-UHFFFAOYSA-N 300.326 -0.044 30 20 DBED C#CCCCOC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 727040735 GVRDQYHMGPPZPO-VXGBXAGGSA-N 313.375 -0.021 30 20 DBED CCOC(=O)C1=C(CN2CCO[C@@H](C#N)C2)NC(=O)N[C@@H]1C 730062415 NRGOQUAMRLTLBI-ZJUUUORDSA-N 308.338 -0.271 30 20 DBED C#CCOc1ccc(NC(=O)C(=O)NC[C@H](O)CN(C)C)cc1 731123192 JJGXLCJIHJOSLU-ZDUSSCGKSA-N 319.361 -0.324 30 20 DBED CN1CCN(C(=O)NCCNc2ccc(C#N)cn2)CC1=O 741076822 CKJXQOHXYVMYLI-UHFFFAOYSA-N 302.338 -0.151 30 20 DBED NC(=O)CNC(=S)NN=Cc1cn(-c2ccccc2)nn1 755721757 KZQRRAKUPNJVQK-UHFFFAOYSA-N 303.351 -0.449 30 20 DBED C=CCS(=O)(=O)CCNC(=O)[C@H]1CCN(C(=O)CC)C1 783547940 UMKQNFGNJGCOBK-NSHDSACASA-N 302.396 -0.038 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1ccc2nnnn2c1 786052362 ZIPOTNDTTNSJJH-QMMMGPOBSA-N 318.293 -0.319 30 20 DBED C#CCCCNC(=O)C(=O)NC[C@H](C)CN1CCN(CC)CC1 790189362 HLPVBESZJQVHJV-HNNXBMFYSA-N 322.453 -0.094 30 20 DBED COCCn1ccc(C(=O)NS(=O)(=O)CC2(C#N)CC2)n1 793195009 DHEDFXHHMSWHKG-UHFFFAOYSA-N 312.351 -0.107 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@]1(C)CCOC1=O 810103196 NUOMMMCKERGLAF-LLVKDONJSA-N 305.356 -0.612 30 20 DBED COCC#CCn1cc(C(=O)OC)cc(-c2nn[nH]n2)c1=O 826147723 JQPXPUMVUJLWII-UHFFFAOYSA-N 303.278 -0.535 30 20 DBED CN(CC(=O)N[C@H]1CNC[C@H]1C#N)S(=O)(=O)c1ccccc1 834517288 TZRAKWHLWIHDJN-YPMHNXCESA-N 322.390 -0.465 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)Nc2cccc3nonc23)CCO1 847486973 NCQBAIHTRRKPGR-QMMMGPOBSA-N 301.262 -0.088 30 20 DBED CC1=C(C(=O)N2CC[C@@](O)(CC#N)C2)[C@H](C)n2nnnc2N1C 848237655 IUAZTNWKCRLIPO-HZMBPMFUSA-N 317.353 -0.165 30 20 DBED CN(CC(C)(C)N)C(=O)C(=O)NCCNc1ncccc1C#N 851685275 RCTIMTONNLTRSU-UHFFFAOYSA-N 318.381 -0.323 30 20 DBED COc1ccc(CNC(=O)C(=O)N[C@H]2CCNC2)cc1C#N 851686794 TVEUFKHAAZUARE-LBPRGKRZSA-N 302.334 -0.339 30 20 DBED N#C[C@@H]1CN(C(=O)NC[C@H]2CCCNC2=O)CCN1C1CC1 868697151 DOEKURPLAADFBH-DGCLKSJQSA-N 305.382 -0.106 30 20 DBED CN1CCN(C(=O)CNC(=O)c2ccc(C#N)cc2)[C@@H](CO)C1 912739667 DROAFWMDILYXKC-CQSZACIVSA-N 316.361 -0.577 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)c3cnnn3C)C2)cn1 937892638 DBDZKPOECJCVHJ-ZDUSSCGKSA-N 324.344 -0.164 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCN(C(=O)c3cn[nH]c3)C2)nn1 937969596 MRXQQVWTJCOSLO-NSHDSACASA-N 315.337 -0.168 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCN(C(=O)c3ncc[nH]3)C2)nn1 940504691 AVIXPIZTNIXNQW-SNVBAGLBSA-N 315.337 -0.168 30 20 DBED N#Cc1cc(C(=O)NC[C@@H]2CCC[C@@H]2NC(=O)C(N)=O)c[nH]1 946293614 QDNUJZHGBOQPAS-KWQFWETISA-N 303.322 -0.614 30 20 DBED C=CCN1C[C@H]2CCN(C(=O)CN3CCNC(=O)C3)CC[C@H]2C1 946714139 FWVTUIFZZMWYBS-GASCZTMLSA-N 320.437 -0.225 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)[C@@H]1CCN(C)C1=O)CCO2 949162220 PKNWGLUSLIQVES-CQSZACIVSA-N 319.405 -0.209 30 20 DBED C#Cc1ccc(C(=O)N2CCN(Cc3nc(O)n[nH]3)CC2)cn1 957381625 URSNBGTYAANGCU-UHFFFAOYSA-N 312.333 -0.155 30 20 DBED C#CCCN1C[C@@H](O)[C@H](CNC(=O)c2ccc(=O)n(C)c2)C1 958203463 QPJKPENKCKTMOY-ZIAGYGMSSA-N 303.362 -0.569 30 20 DBED Cn1ncc(CN2C[C@@H]3C(NC(=O)c4c[nH]c(C#N)c4)[C@H]3C2)n1 958618021 NEOYAZSBYUGIJD-STQMWFEESA-N 311.349 -0.125 30 20 DBED C#CCCN1C[C@H]2C(NC(=O)C[C@H]3CCS(=O)(=O)C3)[C@@H]2C1 960894783 UTSNHUNUVHGIJG-JHJVBQTASA-N 310.419 -0.119 30 20 DBED N#Cc1ccc(C(=O)N2C[C@H](O)[C@H](NC(=O)C3CCC3)C2)[nH]1 961100957 RDZGVPBWIRZBAW-OLZOCXBDSA-N 302.334 -0.012 30 20 DBED N#Cc1cc(CN2C[C@H]3[C@H](NC(=O)C(N)=O)[C@H]3C2)ccc1F 961640214 OLSQPKYFLMUFDV-PJXYFTJBSA-N 302.309 -0.271 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2COCCN2C(=O)CC)nn1 964196534 TVXVGSRLLWKQOK-NSHDSACASA-N 307.354 -0.169 30 20 DBED N#CCNC1CC2(C1)CC(NC(=O)Cn1ccc(O)nc1=O)C2 964247836 ADBSHYGEOSHCAT-UHFFFAOYSA-N 317.349 -0.511 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CN(C(=O)c3cn(C)cn3)CCO2)C1 965356241 NBBQRQHPOFNDMW-LLVKDONJSA-N 317.349 -0.367 30 20 DBED CCN(C(=O)c1nccnc1N)C1CN(C(=O)[C@@H](C)C#N)C1 967853827 YRWNLRSMYZWHCC-VIFPVBQESA-N 302.338 -0.109 30 20 DBED C=C(C)CN1CC([C@@H](C)NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 970890894 GQUAJYIOGCNXQX-PWSUYJOCSA-N 301.412 -0.309 30 20 DBED CN(CC#N)[C@@H]1CCN(C(=O)[C@H]2CN3CC4CC3(CO2)C4)C1 971969526 OOXRANWDEUDORE-MYMJJRTCSA-N 304.394 -0.094 30 20 DBED O=C(Cc1nc[nH]n1)N1CC[C@@H]2CN(C(=O)C#CC3CC3)[C@@H]2C1 972085744 ANEAEIVHODUTRG-CHWSQXEVSA-N 313.361 -0.180 30 20 DBED N#CCN1CCO[C@]2(CCN(C(=O)C[C@@H]3CCC(=O)N3)C2)C1 972593076 MCUBNGNMBWZRKP-SWLSCSKDSA-N 306.366 -0.518 30 20 DBED C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@]3(CN(CC#N)CCO3)C2)C1 972629884 FHAQPIXQMHJRFH-CZUORRHYSA-N 320.393 -0.318 30 20 DBED C=C(C)CN(C)[C@@H]1CCN(C(=O)CN2C(=O)CN(C)C2=O)C1 980345700 GEXJGBWUKLZXOC-GFCCVEGCSA-N 308.382 -0.011 30 20 DBED COC(=O)[C@H]1C[C@@H]1C(=O)N1CC(NC(=O)c2cc(C#N)c[nH]2)C1 990695530 KTLXXFCKTOYFSV-QWRGUYRKSA-N 316.317 -0.364 30 20 DBED N#Cc1cc(C(=O)NC2CN(C(=O)[C@@]3(F)CCOC3)C2)c[nH]1 990928903 ZWLDWTSFGFQCPH-CQSZACIVSA-N 306.297 -0.044 30 20 DBED CCCN1C[C@H](C(=O)NC2CN(C(=O)[C@H](C)C#N)C2)CC1=O 991587670 WMTVVEWTHYMLDX-GHMZBOCLSA-N 306.366 -0.268 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)c3nc[nH]n3)C[C@]2(C)C1 993255655 VNFPNUWEFAZPTN-RULNRJAQSA-N 302.338 -0.115 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CC[C@@H](C)O2)C1 994753547 ILMMHJVVRZOXOL-VHDGCEQUSA-N 319.405 -0.022 30 20 DBED O=C(Cn1cnnn1)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C#CC1CC1 995709358 JJJFTPRXWPJUBC-AGIUHOORSA-N 314.349 -0.665 30 20 DBED CC1(C)NC(=O)N(CC(=O)N2CCC[C@H](NCC#N)C2)C1=O 1000850157 SKQKPVWWDVTIGC-JTQLQIEISA-N 307.354 -0.579 30 20 DBED CN(C[C@@H]1CCCN1C(=O)C(N)=O)C(=O)c1c[nH]c(C#N)c1 1002912755 XDIAIQHWYAQKQM-NSHDSACASA-N 303.322 -0.565 30 20 DBED N#CCN1CCC2(CC1)C[C@H]2NC(=O)Cn1ccc(O)nc1=O 1016715257 NSYSCYCZZWZFDL-LLVKDONJSA-N 317.349 -0.557 30 20 DBED C[C@@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN([C@@H]1CCC(=O)NC1=O)C2 1017423756 XPYWITLJZKCSQZ-FIQHERPVSA-N 304.350 -0.374 30 20 DBED COc1c(O)nc(O)nc1C(=O)N1[C@H]2CC[C@H]1CN(CC#N)C2 1018169871 ODRVCZSJJFPUGQ-IUCAKERBSA-N 319.321 -0.291 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCN(C(=O)[C@@H]3CC(=O)N(C)C3)C2)C1 1019364738 LBGUXVCQUHUCIX-NWDGAFQWSA-N 318.377 -0.315 30 20 DBED COCC(=O)N1CCCO[C@@H](CNC(=O)c2ccc(C#N)[nH]2)C1 1019568444 FSKGTJVIVONBTM-LBPRGKRZSA-N 320.349 -0.120 30 20 DBED N#Cc1cccc(CN[C@H]2C[C@H](NC(=O)[C@H]3CNC(=O)N3)C2)c1 1020530572 ACVMIMLWXKINCL-MGPQQGTHSA-N 313.361 -0.024 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CCN(C(=O)c3ncn(C)n3)[C@@H]2C1 1021532817 AFJYTENAXZFZLV-OUAUKWLOSA-N 302.338 -0.352 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)c3cc[nH]c3)C[C@H]2O)[nH]1 1023437084 JQVWLRXZXLQCRK-CHWSQXEVSA-N 313.317 -0.170 30 20 DBED C#Cc1ccc(C(=O)NC2CN([C@@H]3CCC(=O)NC3=O)C2)nc1 1031278077 CGFPWXYDAUHHDT-CYBMUJFWSA-N 312.329 -0.718 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)c2cnc(N(C)C)cn2)C1 1035372662 CMLNDISATVNULS-LBPRGKRZSA-N 303.366 -0.394 30 20 DBED CC#CCN1CCO[C@H](CNC(=O)[C@@H]2COCCN2CC)C1 1035425293 UZQXXWVWZHNRTE-CABCVRRESA-N 309.410 -0.453 30 20 DBED C#CCN1CCO[C@H](CNC(=O)c2c(O)nnc(C)c2C)C1 1035464849 AJYCRIPYJFGYCA-GFCCVEGCSA-N 304.350 -0.137 30 20 DBED C#CCCCC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H](C)NC(C)=O)C1 1039568132 ALVKAZNUYUNZPD-WBMJQRKESA-N 323.393 -0.606 30 20 DBED CC(C)C#CC(=O)N1CC[C@@](O)(CNC(=O)[C@H]2CCOC2)C1 1040051354 ZPOGKJSXHYSMKX-XJKSGUPXSA-N 308.378 -0.238 30 20 DBED C#CCCCC(=O)N1CC[C@](O)(CNC(=O)CCCC(N)=O)C1 1040211100 GUZOYCJPMDOLPM-INIZCTEOSA-N 323.393 -0.475 30 20 DBED C#CCCCC(=O)N1CC[C@@](O)(CNC(=O)c2[nH]nnc2C)C1 1040467149 NIZPDHNHVHKGEY-OAHLLOKOSA-N 319.365 -0.390 30 20 DBED C=CC(C)(C)C(=O)NC[C@@]1(O)CCN(C(=O)Cn2cncn2)C1 1040487870 FWZMSIFZIIMHMR-HNNXBMFYSA-N 321.381 -0.430 30 20 DBED N#CCN1CC[C@@]2(CCN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)C1 1041369085 VQLFRKPWDQVRHQ-IINYFYTJSA-N 305.338 -0.968 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)c2oc(C)nc2C)C1 1042040009 NJODBEMPRSCMTJ-UHFFFAOYSA-N 323.349 -0.203 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CC2(C)C)C1 1043033108 QUKSWBRENGFRLO-LBPRGKRZSA-N 308.378 -0.238 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2oncc2C)C1 1043038941 ADVRBSJMEOGIQB-NSHDSACASA-N 321.333 -0.676 30 20 DBED C[C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1Nc1ccc(C#N)nc1 1043077314 UMFIRWFYXRRZDN-ZWNOBZJWSA-N 312.337 -0.101 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)[C@H]3CCCO3)C2)cn1 1043848246 OHIXAYOIPYIKFD-HZSPNIEDSA-N 302.334 -0.202 30 20 DBED CC#CCCCC(=O)NCC1(O)CN(C(=O)[C@H]2CCOC2)C1 1044994638 XQYHTVCLGVRHNY-ZDUSSCGKSA-N 308.378 -0.094 30 20 DBED CCNC(=O)CCCC(=O)N1CC(O)(CNC(=O)[C@@H](C)C#N)C1 1045545813 CCSPLXIKIWBVFG-NSHDSACASA-N 324.381 -0.858 30 20 DBED Cn1ncc(C(=O)N2CCN([C@@H]3CCN(CC#N)C3)CC2)c1N 1046021631 BSINGCHSDKMVJQ-GFCCVEGCSA-N 317.397 -0.642 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3nnc(C)n3c2)C1 1047436961 KHKABMBURUKGKD-KBPBESRZSA-N 313.361 -0.212 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3c(c2)nnn3C)C1 1047460533 KDTNBCKECWYAIF-STQMWFEESA-N 314.349 -0.886 30 20 DBED C#CCN1CCC(C(=O)N(C)[C@H]2CN(CC#N)C[C@@H]2O)CC1 1047638081 ARECGUQKMLIEJP-GJZGRUSLSA-N 304.394 -0.641 30 20 DBED CC(C)C#CC(=O)N(C)[C@H]1CN(C(=O)c2csnn2)C[C@@H]1O 1048814068 UIARRZKIFWVMKF-RYUDHWBXSA-N 322.390 -0.159 30 20 DBED N#CCN1CCOC[C@@H]1CNC(=O)c1cnc2n1CCOC2 1050963729 IPTUOZGAUFRKKU-NSHDSACASA-N 305.338 -0.633 30 20 DBED CC#CCN1CCN([C@@H]2CCN(C(=O)[C@H]3CCC(=O)N3)C2)CC1 1051997326 AFRXTTADRXKWHX-HUUCEWRRSA-N 318.421 -0.493 30 20 DBED Cc1cccn(CC(=O)N2CCOC3(CN(CC#N)C3)C2)c1=O 1053255802 QPWBGCANQLYLEA-UHFFFAOYSA-N 316.361 -0.407 30 20 DBED CN1C[C@@H](C(=O)N2CCOC3(CN(CC#N)C3)C2)CCC1=O 1053543069 WSXBOBAZPDHGAF-LBPRGKRZSA-N 306.366 -0.708 30 20 DBED C[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1CNc1cnc(C#N)cn1 1053676247 WMJNLRQDKVBVCH-NXEZZACHSA-N 302.338 -0.270 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)[C@H]3CCCc4nn[nH]c43)CO2)C1 1053908285 OTFVHDAMPPVQKX-MNOVXSKESA-N 316.365 -0.292 30 20 DBED N#CCN1CC[C@]2(CCCN(C(=O)CN3CCNC(=O)C3)C2)C1 1054175598 RKNOEYSFPBWPRF-MRXNPFEDSA-N 319.409 -0.744 30 20 DBED C[C@H](C#N)C(=O)N[C@@]1(CO)CCCN(C(=O)C(C)(C)C(N)=O)C1 1056096430 IMSPQTWUGCWRDM-BMIGLBTASA-N 324.381 -0.873 30 20 DBED N#Cc1ccc(N2C[C@H]3C(NC(=O)[C@H]4COCCO4)[C@@H]3C2)nn1 1056134338 HEOOTACUKSUFHX-IJLUTSLNSA-N 315.333 -0.686 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCCN(CCO)C(=O)CSC 1056902768 UBRBBLJBUYQIOH-NEPJUHHUSA-N 316.423 -0.122 30 20 DBED CN(C)CCCC(=O)NCCN(CCO)C(=O)C#CC1CC1 1057535061 IURGCAGQZHAVKU-UHFFFAOYSA-N 309.410 -0.321 30 20 DBED C#CCOCCC(=O)N(CCO)CCNC(=O)C[C@@H](C)OC 1057581356 QQIAOWJHVYPJFR-CYBMUJFWSA-N 314.382 -0.612 30 20 DBED C#CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)[C@@H](C)SC 1057583578 UDGCGUOIUHOFSV-NWDGAFQWSA-N 316.423 -0.287 30 20 DBED C=CCO[C@H](C)C(=O)N(CCO)CCNC(=O)[C@H]1CCOC1 1057921668 MZJKDMPTAXREEF-OLZOCXBDSA-N 314.382 -0.449 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)c1ccn(C)c(=O)c1 1058048707 DXOLNRAIIYUOOK-UHFFFAOYSA-N 321.377 -0.098 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)CCn1ccnc1 1058199203 FYGVMJSHUHDFQB-GFCCVEGCSA-N 307.354 -0.630 30 20 DBED C[C@]1(C(=O)N[C@@H]2CCN(c3ccc(C#N)nn3)C2)CCNC1=O 1058541953 XHZHHEVTYXLNAE-ABAIWWIYSA-N 314.349 -0.431 30 20 DBED Cc1n[nH]c(C)c1C(=O)NCCN(CCO)C(=O)[C@H](C)C#N 1058654747 GSXFDUQPRBXUMB-SECBINFHSA-N 307.354 -0.263 30 20 DBED CN1C[C@@H](C(=O)N[C@H]2C[C@H](Nc3cnc(C#N)cn3)C2)CC1=O 1059446376 SRLSKAJPQWZLFE-DCAQKATOSA-N 314.349 -0.114 30 20 DBED N#Cc1nccnc1N[C@H]1C[C@@H](NC(=O)CN2CCOCC2)C1 1059600683 IVAQNYZXQDTXDK-TXEJJXNPSA-N 316.365 -0.260 30 20 DBED N#Cc1ccc(N2CCC[C@H]2CNC(=O)[C@@H]2CNC(=O)N2)nn1 1061441029 NDMXEKLHPPKAMW-QWRGUYRKSA-N 315.337 -0.885 30 20 DBED C=CCOCC(=O)N1CCOC[C@@H]1CNC(=O)c1n[nH]cc1C 1061558998 DTTHASKKKHLVDK-LBPRGKRZSA-N 322.365 -0.122 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1COCCN1C(=O)Cn1cccn1 1061563242 BGBDJABJMIHVRF-CQSZACIVSA-N 318.377 -0.114 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1COCCN1C(=O)Cc1nc[nH]n1 1061566659 RDZILANYSUWPGD-GFCCVEGCSA-N 319.365 -0.650 30 20 DBED C=CC(C)(C)C(=O)NC[C@H]1COCCN1C(=O)[C@H]1CCNC1=O 1061755213 DDWXABRXTIPGQF-RYUDHWBXSA-N 323.393 -0.322 30 20 DBED C=CC(C)(C)C(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1CCNC1=O 1061755214 DDWXABRXTIPGQF-VXGBXAGGSA-N 323.393 -0.322 30 20 DBED CCNC(=O)CC(=O)N1CCOC[C@H]1CNC(=O)[C@H](C)C#N 1061845987 AFNYZXNCZGMLQZ-GHMZBOCLSA-N 310.354 -0.984 30 20 DBED Cc1c[nH]c(C(=O)N2CCOC[C@@H]2CNC(=O)[C@H](C)C#N)n1 1061852637 KXSYZKBOHBQDEQ-KOLCDFICSA-N 305.338 -0.165 30 20 DBED CN(C(=O)[C@H]1CNC(=O)N1)[C@@H]1CCN(c2nccnc2C#N)C1 1063024986 MORNFXYMMAMCKE-MWLCHTKSSA-N 315.337 -0.933 30 20 DBED Cc1cc(C#N)nc(NC[C@@H]2CCC[C@H]2NC(=O)C(N)=O)n1 1064132635 CVINTNYJKMQTDT-GXSJLCMTSA-N 302.338 -0.161 30 20 DBED N#Cc1ccc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)[C@@H]2[C@H]3COC[C@H]32)nn1 1064322121 BAPVCBWNKOGFQN-SOBMSCLTSA-N 311.345 -0.066 30 20 DBED C=CCCC(=O)N1CCO[C@H](CNC(=O)[C@@]2(C)CCNC2=O)C1 1064957500 LBOGOSIXASTKEB-WBMJQRKESA-N 323.393 -0.178 30 20 DBED C#CCCCC(=O)N1CCO[C@H](CNC(=O)CNC(=O)NC)C1 1065099617 MEIKPHWHIRBLLL-GFCCVEGCSA-N 324.381 -0.938 30 20 DBED Cc1cnn(C)c1C(=O)N1CCO[C@@H](CNC(=O)[C@@H](C)C#N)C1 1065475166 MJWHHLCNBNRYDA-JQWIXIFHSA-N 319.365 -0.155 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCC[C@@H](NC(=O)CC(N)=O)CC1 1066010903 QJGUJFYVMXVPDL-ABAIWWIYSA-N 311.382 -0.314 30 20 DBED CCc1nc(C#N)cc(N(C)C[C@H]2CCCN2C(=O)C(N)=O)n1 1067793130 FRHSODPQHSLDKJ-LLVKDONJSA-N 316.365 -0.177 30 20 DBED CN(C(=O)c1nnn(C)n1)C1CC(Nc2nccnc2C#N)C1 1069789830 CEBWNVYGDMMTMK-UHFFFAOYSA-N 313.325 -0.413 30 20 DBED C#CCN1CCn2ncc(CNC(=O)[C@H]3C[C@H]3C(=O)OC)c2C1 1069854470 JXDWFHPNLHDCNX-QWHCGFSZSA-N 316.361 -0.243 30 20 DBED N#CCN[C@@H]1CN(C(=O)Cc2cncnc2)C[C@@H]1n1ccnn1 1070185334 PLVUNJNPEZFBSI-OLZOCXBDSA-N 312.337 -0.824 30 20 DBED C#CCN1CC[C@]2(C1)CN(C(=O)c1cnn(C)n1)C[C@@H](C)O2 1071220564 HTXCLFSVYZIDPF-DOMZBBRYSA-N 303.366 -0.246 30 20 DBED C=CCOCC(=O)N1C[C@H](C)[C@H](NC(=O)Cn2cnnc2O)C1 1071808906 MUACTUKZGJKYFC-WDEREUQCSA-N 323.353 -0.851 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C 1071918263 MUHNOFRROCOQKN-NOZJJQNGSA-N 317.349 -0.401 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1C 1071926169 TVYNCIBFELFBCA-TVQRCGJNSA-N 317.349 -0.401 30 20 DBED C[C@@H](C#N)C(=O)NC1(C)CCN(C(=O)[C@H]2CN(C)CCO2)CC1 1072922688 XJHXFBDRQPUWPE-QWHCGFSZSA-N 322.409 -0.026 30 20 DBED C#CCCCC(=O)N1CC[C@@H](NC(=O)Cn2ncnn2)[C@@H](C)C1 1073977300 MYICCPSWMPBPNS-QWHCGFSZSA-N 318.381 -0.170 30 20 DBED C#CCCCC(=O)N1CC[C@@H](NC(=O)c2nnn(C)n2)[C@@H](C)C1 1074110522 RRLZRMLARMHZQG-NWDGAFQWSA-N 318.381 -0.020 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)c1cccnc1 1075403387 YITAVIIVWFVUCP-LBPRGKRZSA-N 316.361 -0.154 30 20 DBED Cc1nnc(CN2C[C@@H](O)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)o1 1076898686 VQUYAYXWVQBPOP-VXGBXAGGSA-N 316.321 -0.447 30 20 DBED C#CCN[C@@H]1C[C@@H](NC(=O)CN2C(=O)CCC2=O)C12CCC2 1078804312 UFUSDZKFUFZZRV-VXGBXAGGSA-N 303.362 -0.214 30 20 DBED C=CCOCC(=O)N1C[C@H](CNC(=O)CCSC)[C@@H](O)C1 1081231125 KSWWGWLWPUWBFG-RYUDHWBXSA-N 316.423 -0.122 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@H](CNC(=O)Cn2cccn2)C1 1081253311 FCYVZYSYVPLSQO-OLZOCXBDSA-N 306.366 -0.215 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)c2cc(=O)n(C)o2)C[C@H]1O 1081336527 ZRJSODWBXMEEBR-GHMZBOCLSA-N 323.349 -0.506 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2ccn(C)c2)C[C@@H]1O 1081346367 HOBDMUOPYRJEDM-KGLIPLIRSA-N 321.377 -0.223 30 20 DBED C=C(C)C(C)(C)C(=O)NC[C@@H]1CN(C(=O)CC(N)=O)C[C@@H]1O 1081640910 SFBXGJYJKQPWEO-MNOVXSKESA-N 311.382 -0.600 30 20 DBED CC#CCN1C[C@@H](NC(=O)C(=O)N2CC[C@H](C)C2)[C@H](OC)C1 1082313484 GQSIHPUNOSAOBA-BFHYXJOUSA-N 307.394 -0.307 30 20 DBED CC#CCN1C[C@@H](NC(=O)[C@H]2CCCC(=O)N2C)[C@H](OC)C1 1082350158 IXDKIPKBGLBSPB-MGPQQGTHSA-N 307.394 -0.164 30 20 DBED C=CCn1cccc1C(=O)N1CCO[C@@H]2CN(CC(N)=O)C[C@@H]21 1083106152 NLBBGGLTFUMWOK-UONOGXRCSA-N 318.377 -0.315 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)C[C@@H]2CCS(=O)(=O)C2)C1 1083616399 MITHHPDVYYIDFX-XQQFMLRXSA-N 316.423 -0.451 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2cc(C)nc3[nH]nc(C)c23)C1 1083861554 RSIAJMYPPRPEIT-OLZOCXBDSA-N 313.361 -0.017 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)c2cccnc2C(N)=O)C1 1084081602 FPTQXBQXIVNNTE-NEPJUHHUSA-N 304.350 -0.469 30 20 DBED CN(C[C@@H]1CCN1[C@@H]1CCNC1=O)C(=O)c1cc(C#N)c[nH]1 1085534774 SLKOCVVYAPKMCB-WCQYABFASA-N 301.350 -0.079 30 20 DBED C#CCN1CC[C@H]1CN(C)C(=O)c1ccc(=O)n(CCOC)n1 1085709814 QIPYMMZFBWXYBV-ZDUSSCGKSA-N 318.377 -0.331 30 20 DBED C=CCCN1CC[C@@H]2CN(C(=O)Cn3ncn(C)c3=O)C[C@@H]2C1 1088019383 KVFVMUJMIFHWLU-KGLIPLIRSA-N 319.409 -0.062 30 20 DBED C=CCN1CC[C@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)[C@H]1C 1088896504 MMGNBCOPXROYTO-ZJUUUORDSA-N 308.338 -0.828 30 20 DBED N#Cc1nc(=NCC2(CCNC(=O)CNC(N)=O)CC2)cc[nH]1 1089903438 UBPIZBLDHIQPGW-UHFFFAOYSA-N 317.353 -0.863 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2nnn(C(C)(C)C)n2)[C@@H](O)C1 1090280422 TVXDLZVFCDTKBL-MNOVXSKESA-N 306.370 -0.774 30 20 DBED CC#CCN1CC[C@H](NC(=O)Cn2cc(C3CC3)nn2)[C@@H](O)C1 1090319592 QZIWOXNSBNKFRA-ZFWWWQNUSA-N 317.393 -0.270 30 20 DBED C#Cc1cncc(C(=O)N[C@H]2CCN(CCCO)C[C@H]2O)c1 1090565240 XSEAYECIJLQHBU-LSDHHAIUSA-N 303.362 -0.390 30 20 DBED C#CCCN1CC[C@@H](NC(=O)C(C)(C)N2CCOCC2)[C@H](O)C1 1090640871 LDADKMLEZZAXPI-HUUCEWRRSA-N 323.437 -0.328 30 20 DBED CC(C)(C(N)=O)C(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@@H]1O 1091157635 MIPJBUOGWOORMV-PWSUYJOCSA-N 317.349 -0.870 30 20 DBED C=CCN1CC[C@H](NC2CC(CNC(=O)c3nc[nH]n3)C2)C1=O 1091289329 MXPQDPZLMRWDIZ-MCIGGMRASA-N 318.381 -0.310 30 20 DBED N#Cc1ccc(N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)CNC(N)=O)nc1 1092938164 WLPIHLAAIBCSKB-UTUOFQBUSA-N 314.349 -0.153 30 20 DBED CS(=O)(=O)CC(=O)NC1[C@@H]2CN(c3ncccc3C#N)C[C@@H]12 1093224650 AXDBCIOXGRMKIQ-GHMZBOCLSA-N 320.374 -0.451 30 20 DBED CCC(=O)NCC(=O)N[C@H]1[C@@H]2CN(c3cncc(C#N)n3)C[C@@H]21 1093233728 CZQHLNQWOLREIG-HBYGRHMLSA-N 314.349 -0.575 30 20 DBED C#CCN1CC(n2cc(CNC(=O)[C@H]3CCN(C)C3)nn2)C1 1094338502 IKMMCGPSJHPXFA-LBPRGKRZSA-N 302.382 -0.664 30 20 DBED N#Cc1nc(=NCCCNC(=O)COC[C@@H]2CCCO2)cc[nH]1 1094479150 OLOBGUBWZCFEMJ-LBPRGKRZSA-N 319.365 -0.116 30 20 DBED C#CCN1CCN(C(=O)c2ncccn2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094669541 ZKAKMZSDAUONPU-NWDGAFQWSA-N 320.374 -0.967 30 20 DBED CCn1ccnc1C(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1 1094734078 RAGMHSKLTASUPN-LLVKDONJSA-N 316.365 -0.559 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)c3ncccc3F)CC2=O)C1 1094804586 XFIQDZGREVFSSM-LLVKDONJSA-N 316.336 -0.131 30 20 DBED N#Cc1nccnc1NCCCNC(=O)CN1CCCNC1=O 1094885262 PCRURXSCFKARJF-UHFFFAOYSA-N 317.353 -0.318 30 20 DBED CCNC(=O)CC(=O)N[C@@H]1CCCN(c2cncc(C#N)n2)C1 1096161701 URFDVGPUPWMCBA-LLVKDONJSA-N 316.365 -0.041 30 20 DBED COCC(=O)NCCN1CCN(c2ccc(C#N)nc2)CC1 1096266340 LDSJKDPTYBOXQE-UHFFFAOYSA-N 303.366 -0.162 30 20 DBED N#Cc1cncc(N[C@H]2C[C@@H](NC(=O)C(=O)NCC3CC3)C2)n1 1097209533 FJDXISHJCBLFFJ-PHIMTYICSA-N 314.349 -0.066 30 20 DBED C#CCOCCC(=O)NC[C@H](C)Nc1ncnc2c1nnn2C 1098059574 UTWDKNVYXSFALQ-JTQLQIEISA-N 317.353 -0.285 30 20 DBED C[C@@H](CNC(=O)CN1CCCNC1=O)Nc1cnc(C#N)cn1 1098420677 SWJVXCWZLJBFAY-JTQLQIEISA-N 317.353 -0.320 30 20 DBED C[C@H](CCNC(=O)[C@H]1CN(C)CCO1)N=c1cc[nH]c(C#N)n1 1098997964 CTBAUQBERYMJGI-VXGBXAGGSA-N 318.381 -0.593 30 20 DBED C[C@H](CCNC(=O)CCNC(N)=O)N=c1cc[nH]c(C#N)n1 1099141275 ORTGCBIBWZCPME-SECBINFHSA-N 305.342 -0.865 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(CCc2ccnn2C)C[C@@H]1O 1099738554 PPJGVNFJFDSSLQ-CABCVRRESA-N 322.409 -0.283 30 20 DBED C=CCCN1CC[C@H](NC(=O)CCn2cnccc2=O)[C@@H](O)C1 1100051074 RSBQJPUKZDRMIG-KBPBESRZSA-N 320.393 -0.239 30 20 DBED CCn1cc(C(=O)N[C@@H]2CCN(CC#CCOC)C[C@@H]2O)nn1 1100054150 UFUITHWSCFHSEZ-OCCSQVGLSA-N 321.381 -0.887 30 20 DBED C=CCCN1CC[C@H](NC(=O)C(C)(C)NC(=O)NC)[C@H](O)C1 1100126811 NIVPLTUMIYTBQR-NWDGAFQWSA-N 312.414 -0.179 30 20 DBED CN1C[C@@H](C(=O)NCCN(C)c2ccncc2C#N)NC1=O 1100255387 NJFOYHKRDZZBBQ-NSHDSACASA-N 302.338 -0.471 30 20 DBED C=CCCNC1CC(CNC(=O)CN(C)S(C)(=O)=O)C1 1100380196 SRGSUTGDTRQHGC-UHFFFAOYSA-N 303.428 -0.062 30 20 DBED C=CCNC(=O)[C@@H](C)NC1CC(CNC(=O)CC(=O)N(C)C)C1 1100740034 AMNZUBXPQNEBNJ-PNESKVBLSA-N 324.425 -0.360 30 20 DBED CCN(CCNC(=O)CNC(=O)NC)c1ccc(C#N)nn1 1100750077 FTGWWFQLDLPACZ-UHFFFAOYSA-N 305.342 -0.780 30 20 DBED N#Cc1cncc(N(CCNC(=O)Cn2cncn2)C2CC2)n1 1101345591 WFHSXBCQCTXOPU-UHFFFAOYSA-N 312.337 -0.275 30 20 DBED C[C@@H](C(=O)N(C)CCNc1nccnc1C#N)N1CCOCC1 1101681346 DZGGSLOPRBQVMR-LBPRGKRZSA-N 318.381 -0.061 30 20 DBED CN(CCNc1ccc(C#N)nc1)C(=O)C1CS(=O)(=O)C1 1101794607 QFRLHDRECMFLME-UHFFFAOYSA-N 308.363 -0.132 30 20 DBED CC[C@@H](CNC(=O)[C@H]1CN(C)CCO1)Nc1nccnc1C#N 1103031419 YCWLAQAMSJDUHG-WCQYABFASA-N 318.381 -0.014 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1CCNC(=O)[C@H]1CCS(=O)(=O)N1 1103730059 AAAXPVIQZAMDKK-IJLUTSLNSA-N 314.411 -0.724 30 20 DBED N#Cc1ccc(N2CCC[C@@H]2CCNC(=O)CC(N)=O)nn1 1103738546 RLAYLCDIXGVFKF-LLVKDONJSA-N 302.338 -0.301 30 20 DBED C[C@H](CNC(=O)CCn1cnnn1)CNc1cnc(C#N)cn1 1104047846 UYBPHKMGFHOXPO-JTQLQIEISA-N 315.341 -0.411 30 20 DBED Cc1ccnn1CC(=O)N1CC(n2cc(CNCC#N)nn2)C1 1105335369 YIOYWRZPOGXPBG-UHFFFAOYSA-N 314.353 -0.520 30 20 DBED N#Cc1nc(=NC[C@H](O)CNC(=O)C2CCC(O)CC2)cc[nH]1 1105804007 JDWXQYMKMXBLFT-MCIGGMRASA-N 319.365 -0.790 30 20 DBED Cc1nnc(CC(=O)NC[C@H](O)CNc2cnc(C#N)cn2)o1 1105815793 NAXWTJWIDTVHTB-SNVBAGLBSA-N 317.309 -0.829 30 20 DBED C[C@]1(C(=O)NC[C@H](O)CNc2cncc(C#N)n2)CCOC1 1105939549 VJPXLFGXUBFGIN-RISCZKNCSA-N 305.338 -0.336 30 20 DBED COC1CC(C(=O)NC[C@H](O)CN=c2cc[nH]c(C#N)n2)C1 1105997350 PMPVHMFJOROTKU-HSOILSAZSA-N 305.338 -0.916 30 20 DBED Cc1ncn(C)c1C(=O)NC[C@@H](O)CNc1cnc(C#N)cn1 1105999015 JJCKLHGVQIFING-NSHDSACASA-N 315.337 -0.407 30 20 DBED Cc1nn(CC(=O)N2C[C@@H](C)[C@H](CNCC#N)C2)c(=O)n1C 1106937927 JCOFSAFAOSZPTG-ZYHUDNBSSA-N 306.370 -0.902 30 20 DBED N#Cc1nccnc1NC/C=C/CNC(=O)CN1CCOCC1 1107134032 PFWUJKGJQQKFNJ-OWOJBTEDSA-N 316.365 -0.235 30 20 DBED C=CCN1CC(n2cc(CNC(=O)Cc3n[nH]c(C)n3)nn2)C1 1107171040 JJZUKTNJTYXVDI-UHFFFAOYSA-N 316.369 -0.394 30 20 DBED C=C(C)C[C@@H](C)C(=O)NCc1cn(C2CN(CC(N)=O)C2)nn1 1107198393 FLGWMIQIFNQJPJ-LLVKDONJSA-N 320.397 -0.161 30 20 DBED CC(C)(C(N)=O)C(=O)NC/C=C\CNc1cncc(C#N)n1 1107386212 FADUENPFSMZLQJ-ARJAWSKDSA-N 302.338 -0.056 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)[C@H]2COCCN2C(C)=O)C1 1108407913 FICBPFIXYZMNJN-GDBMZVCRSA-N 323.393 -0.926 30 20 DBED C[C@]1(CNC(=O)[C@@H]2CCCN2C(N)=O)CN(CC#N)CCO1 1108439786 UMNLNLIABLPBNR-FZMZJTMJSA-N 309.370 -0.740 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)C(C)(C)C(N)=O)CC2=O)C1 1108553447 MNYAYESFESULPI-JTQLQIEISA-N 308.382 -0.915 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1CC(=O)N(C2CN(CC(N)=O)C2)C1 1108561235 VFNMINMLIBORSZ-SNVBAGLBSA-N 308.382 -0.915 30 20 DBED C[C@H](CN(C)c1ccc(C#N)nn1)NC(=O)[C@H]1CN(C)C(=O)N1 1109194763 VQHKPQCTHYWBBR-MWLCHTKSSA-N 317.353 -0.687 30 20 DBED CNC(=O)NCC(=O)N[C@@H](C)CN(C)c1cnc(C#N)cn1 1109287495 MMCHGASUFNVUNH-VIFPVBQESA-N 305.342 -0.782 30 20 DBED C#CCCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CNS(=O)(=O)CC 1109364163 SAACBUHXURCNFC-AGIUHOORSA-N 313.423 -0.330 30 20 DBED CS(=O)(=O)CC(=O)N[C@@H]1[C@H]2C[C@H]1N(c1ccc(C#N)cn1)C2 1109692643 BPEJYPZGICFUOR-MISXGVKJSA-N 320.374 -0.309 30 20 DBED CS(=O)(=O)CC(=O)N[C@H]1[C@H]2C[C@H]1N(c1ncccc1C#N)C2 1109693374 SWDLCPSZASQMOK-LOWVWBTDSA-N 320.374 -0.309 30 20 DBED CCOCCC(=O)NC[C@]1(O)CCN(c2ccc(C#N)nn2)C1 1111040894 BPEZUJCWNMBXMW-OAHLLOKOSA-N 319.365 -0.168 30 20 DBED CN(CCCN(C)c1ccnc(C#N)n1)C(=O)CCNC(N)=O 1112089823 AAKDCDYHLOYKRD-UHFFFAOYSA-N 319.369 -0.309 30 20 DBED CNC(=O)CC(=O)N[C@H]1CCN(c2cncc(C#N)n2)C[C@H]1C 1112400170 JMJMKSLQEYXQDT-PWSUYJOCSA-N 316.365 -0.185 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)CC[C@@H]2CCCO2)CC1 1112620649 IXXJVVFBFFTYKV-ZDUSSCGKSA-N 308.382 -0.270 30 20 DBED C=CCN1CC[C@@H](N2CCN(C(=O)CC(=O)NCC)CC2)C1=O 1112777902 RSFVFWIVGHKBHC-CYBMUJFWSA-N 322.409 -0.556 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCN([C@@H](C)C(=O)NC(=O)NC)CC1 1112841920 RKFMGSNWRIQFDY-RYUDHWBXSA-N 324.381 -0.987 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)[C@]2(C)CNC(=O)C2)CC1 1113137382 VIXUHGBYTAUPHX-LRDDRELGSA-N 322.409 -0.653 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCN([C@@H](C)C(=O)NC(N)=O)CC1 1113360667 CTHNFEAHCQKVAD-TUAOUCFPSA-N 324.381 -0.695 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)c2cccnn2)CC1 1113450207 BRYDDRBOBHSGMN-LBPRGKRZSA-N 301.350 -0.628 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H](C)N(C)c1nccn2nnnc12 1113725491 VPTOLFBIWYCUON-MNOVXSKESA-N 317.353 -0.502 30 20 DBED CNC(=O)NCC(=O)NC[C@H](C)N(C)c1cnc(C#N)cn1 1113939445 YPVVGMYZBFOFLQ-VIFPVBQESA-N 305.342 -0.782 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)c3ccc(F)cn3)[C@@H]2C1 1114157664 JMNISZHRHUENKH-VXGBXAGGSA-N 316.336 -0.370 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)C#CC(C)(C)C)[C@H]2C1 1114255136 CTFZBWURAVJUNH-STQMWFEESA-N 301.390 -0.168 30 20 DBED CC1(C)CN(c2ccc(C#N)cn2)C[C@H]1NC(=O)CNC(N)=O 1114424378 WJTVKQRVYMUWOA-LLVKDONJSA-N 316.365 -0.047 30 20 DBED C[C@H](CCCNc1nccnc1C#N)NC(=O)c1nnn(C)n1 1115052768 SBWZATYPWFJYQZ-SECBINFHSA-N 315.341 -0.118 30 20 DBED CC(=O)NCC(=O)NCCOCCCN=c1cc[nH]cc1C#N 1115375741 UENOEJKUFQCTSK-UHFFFAOYSA-N 319.365 -0.554 30 20 DBED CNC(=O)CC(=O)NCCOCCCN=c1cc[nH]cc1C#N 1115409517 HJDKDPQKJOCLOV-UHFFFAOYSA-N 319.365 -0.554 30 20 DBED N#C[C@H]1CC[C@@H](NC(=O)C(=O)N2CCN3CCOC[C@H]3C2)C1 1118118462 GUAQYPQHWOSQQM-YNEHKIRRSA-N 306.366 -0.662 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)N[C@@H]2CCc3c[nH]nc3C2)C1 1118151309 GWLXTABECGITCW-ABAIWWIYSA-N 317.349 -0.740 30 20 DBED C[C@H](CN(C)C(=O)[C@@H]1CCCNC1=O)N=c1cc[nH]c(C#N)n1 1120199337 HETMYEYFTWWZFD-GHMZBOCLSA-N 316.365 -0.445 30 20 DBED Cc1cc(C#N)nc(N[C@@H](CO)CNC(=O)c2cc(C)[nH]n2)n1 1121119284 BSWOFHPVEBPHDO-LLVKDONJSA-N 315.337 -0.109 30 20 DBED Cc1ccc(C#N)c(N[C@@H](CO)CNC(=O)[C@@H]2COCCO2)n1 1121136812 QZPVLIYKXUCJPN-OLZOCXBDSA-N 320.349 -0.434 30 20 DBED C=CCCOCC(=O)NC[C@@H](CO)Nc1cc(C)nc(CO)n1 1121748771 FHJDIQBUPGLKQR-LBPRGKRZSA-N 324.381 -0.241 30 20 DBED C=CCCOCC(=O)NC[C@@H](CO)Nc1cncc(C#N)n1 1121749604 QHBMESSNKRAJQK-LBPRGKRZSA-N 305.338 -0.170 30 20 DBED Cc1nc[nH]c1CC(=O)NC[C@H](CO)Nc1cnc(C#N)cn1 1121854500 NONDPBHXMGXXNK-LLVKDONJSA-N 315.337 -0.489 30 20 DBED Cc1ncn(C)c1C(=O)NC[C@@H](CO)N=c1cc[nH]cc1C#N 1122146394 BPOUFHKCGXWBTH-LBPRGKRZSA-N 314.349 -0.380 30 20 DBED C=CCn1cc(C(=O)NC[C@@H](CO)Nc2ccnc(C)n2)nn1 1122637405 SNYFHMLKSWTZRY-NSHDSACASA-N 317.353 -0.235 30 20 DBED CC[C@@H](NC(C)=O)C(=O)NC[C@H](CO)N=c1cc[nH]cc1C#N 1122644839 OLUHZTROKHUBHH-CHWSQXEVSA-N 319.365 -0.821 30 20 DBED C[C@@H]1[C@@H](NC(=O)CNC(N)=O)CCCN1c1cncc(C#N)n1 1123512886 HNWFGYGFMGILHH-KOLCDFICSA-N 317.353 -0.510 30 20 DBED CN(C[C@@H](O)CNc1cncc(C#N)n1)C(=O)CN1CCCC1 1124351887 JBWFVUDFZFQVJV-ZDUSSCGKSA-N 318.381 -0.325 30 20 DBED C#CCNC(=O)CC(=O)NCCNC[C@@H](O)c1ccccc1 1125994571 DZBQECOJTUZFBO-CQSZACIVSA-N 303.362 -0.435 30 20 DBED C=C[C@](C)(O)CC(=O)NCCNCC(=O)NC[C@@H]1CCCO1 1126366453 VQXVUMNSXBLWLX-WFASDCNBSA-N 313.398 -0.686 30 20 DBED C=C[C@](C)(O)CC(=O)NCCNCCNC(=O)NC(C)C 1126378154 ILVAIQDLMYXGTP-AWEZNQCLSA-N 300.403 -0.273 30 20 DBED C[C@@H](NC(=O)CC(N)=O)C1CCN(c2cncc(C#N)n2)CC1 1126609679 VBLBWSCPIUKNPO-SNVBAGLBSA-N 316.365 -0.055 30 20 DBED C[C@H](NC(=O)C(N)=O)C1CCN(c2cncc(C#N)n2)CC1 1126767315 KYNUMRHIYYDRHU-VIFPVBQESA-N 302.338 -0.445 30 20 DBED COC[C@H](C)OC[C@@H](O)CNCCNC(=O)C#CC(C)C 1126815366 BHADDOVNNWPMRR-KBPBESRZSA-N 300.399 -0.236 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CCCN1C(C)C 1127082787 YVEUIZRPHOZQBC-KBPBESRZSA-N 308.426 -0.297 30 20 DBED C#CCCN[C@@H]1CN(C(=O)[C@H]2COCCO2)C[C@@H]1n1ccnn1 1129594507 NBQGKHKTWKUQMK-HZSPNIEDSA-N 319.365 -0.942 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@H](n2ccnn2)[C@H](NCC#CC)C1 1129829437 HLHFDSHFTMUTQN-KFWWJZLASA-N 315.377 -0.319 30 20 DBED COCc1cccc(C(=O)NCCNCC(=O)NCC#N)c1 1130944660 WIHPCSRBZYSGOD-UHFFFAOYSA-N 304.350 -0.208 30 20 DBED C=CCN1CC[C@@]2(C1)CN(C(=O)CCNC(N)=O)C[C@H](C)O2 1131696835 BLPOPRMDPKJYDT-SWLSCSKDSA-N 310.398 -0.077 30 20 DBED Cc1nn[nH]c1C(=O)N[C@H]1CC[C@H](C)N(CC(=O)NCC#N)C1 1132215074 RHDPAQHRGCINKN-ONGXEEELSA-N 319.369 -0.664 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1ccc2nonc2c1 1133220198 GEBQNJUEYVLTPB-SNVBAGLBSA-N 315.333 -0.320 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)NCCNCc1cnnn1C 1134817301 TXNHKMFQTRDUAN-CYBMUJFWSA-N 308.386 -0.508 30 20 DBED Cc1n[nH]cc1C(=O)N[C@@H](C)C[C@H](C)NCC(=O)NCC#N 1135156255 DYLQGLZWNDQIIT-UWVGGRQHSA-N 306.370 -0.156 30 20 DBED C=C(C)CN(CC)C(=O)[C@@H](C)NCCNC(=O)c1nc[nH]n1 1135529240 KQXTYFNHCNQAAK-LLVKDONJSA-N 308.386 -0.063 30 20 DBED CC#CCN[C@H](C)C[C@@H](C)NC(=O)c1cc(=O)n2[nH]cnc2n1 1135923853 ODVXUSVCQNCZIN-GHMZBOCLSA-N 316.365 -0.073 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)CN1CCS(=O)(=O)CC1)NCC#N 1146313603 HWDACDKXKLSVOM-NWDGAFQWSA-N 316.427 -0.887 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)c1cnn2cc[nH]c12 1149049954 USNCXYDLDULUER-JTQLQIEISA-N 304.354 -0.328 30 20 DBED C=CCNC(=O)CNCCNC(=O)CCc1c(C)n[nH]c1C 1150732859 HRRWHRKAUXVEEN-UHFFFAOYSA-N 307.398 -0.033 30 20 DBED C=CCNC(=O)NC(=O)CN(CC)[C@H](C)CNC(=O)[C@@H](C)C#N 1152449547 DINWOQVMZOZAHA-NWDGAFQWSA-N 323.397 -0.016 30 20 DBED C#CCNC(=O)CN(C)C[C@H]1CCCCN1C(=O)CNC(C)=O 1157465371 XDBKAMDRQQGZTA-CQSZACIVSA-N 322.409 -0.815 30 20 DBED C#CCOCCC(=O)NCC1(COC)CCN(CCO)CC1 1162270899 UUNIPZGWFXLWAH-UHFFFAOYSA-N 312.410 -0.137 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1occ2c1CCOC2 1163324933 PNROBWMSHXJJKP-UHFFFAOYSA-N 319.361 -0.189 30 20 DBED C[C@@H]1CO[C@H](C(=O)NCCC2(CNCC(=O)NCC#N)CC2)C1 1166286680 PHIATQPVDRHIKK-STQMWFEESA-N 322.409 -0.073 30 20 DBED C=CCNC(=O)CNCC1(CCNC(=O)c2[nH]nnc2C)CC1 1166532048 SADJFOZNQRJOMY-UHFFFAOYSA-N 320.397 -0.095 30 20 DBED C#CCCNCCCC[C@H](C)NC(=O)CS(=O)(=O)NC 1176639390 UOOQUSFOGICDAN-LBPRGKRZSA-N 303.428 -0.177 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)COCCOCC)C[C@@H]21 1177156422 IJOSYJUMDPYFTJ-LSDHHAIUSA-N 310.394 -0.026 30 20 DBED C=CCCOCC(=O)NCCCNC[C@@H](O)Cn1cccn1 1177264625 QUXCFCFFVXWLAZ-CQSZACIVSA-N 310.398 -0.067 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2ncoc2C)[C@H]1C 1178234187 IZQNMWBPUOCVBV-JQWIXIFHSA-N 304.350 -0.075 30 20 DBED C#CCOCCC(=O)N1CC[C@H](N[C@H]2CCC(=O)NC2=O)[C@@H]1C 1178681904 SMBCLVAEEYHEOY-AVGNSLFASA-N 321.377 -0.590 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](NCc2nccn2C)C1 1182134859 ZQMUHGHDMNDGPG-GFCCVEGCSA-N 303.366 -0.750 30 20 DBED C#CCCN[C@@H]1CCN(C(=O)CN2C(=O)CC(C)(C)C2=O)C1 1182608047 YFPIIQWXJJHNSD-GFCCVEGCSA-N 305.378 -0.015 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2[nH]c(C)nc2C)C1 1185724231 VJGYKLZBIPKOFC-DGCLKSJQSA-N 317.393 -0.031 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@H](CNCCO)C2(CCOCC2)C1 1186382772 SBVFXDDUWANLTQ-GJZGRUSLSA-N 324.421 -0.138 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](N(C)Cc2cncn2C)C1 1189761415 ZESKVJXFTYFGGL-ZDUSSCGKSA-N 317.393 -0.408 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)CCc2ncc[nH]2)C1 1189873419 DTDQJECSAXJDLT-CYBMUJFWSA-N 317.393 -0.376 30 20 DBED Cc1cn(C)nc1C(=O)N1CC[C@@H](N(C)CC(=O)NCC#N)C1 1190067433 ONTACTAMWVYHIM-GFCCVEGCSA-N 318.381 -0.485 30 20 DBED CN(CC(=O)NCC#N)[C@@H]1CCN(C(=O)[C@@]23COC[C@@H]2C3)C1 1190260628 VKFKHQFSWDQXQM-ZOWXZIJZSA-N 306.366 -0.805 30 20 DBED N#Cc1ccc(CN2C[C@@H](O)[C@H](NC(=O)CC(N)=O)C2)cc1F 1191967021 DQEIQBZIEWNRGA-CHWSQXEVSA-N 320.324 -0.766 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)[C@]2(C)CCC(=O)N2)C1 1192217672 HEOATADHCCAWPR-LRDDRELGSA-N 322.409 -0.510 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)c2cnnc(C)c2)C1 1192437814 HZNUBHDCQJLGCJ-ZIAGYGMSSA-N 304.350 -0.790 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2cncn2C)C[C@H]1O 1192885723 FLYJETGAEFSZCI-ZIAGYGMSSA-N 306.366 -0.879 30 20 DBED CC#CCN(C)[C@H]1CCN(C(=O)c2cn(C)c(=O)nc2O)C1 1193991930 GFSDLVBCLHBQKO-NSHDSACASA-N 304.350 -0.345 30 20 DBED C#CCNC(=O)CC(=O)N1CCCN(Cc2nncs2)CC1 1195588546 LHSFCTUALBCPDL-UHFFFAOYSA-N 321.406 -0.288 30 20 DBED N#CCNC(=O)CN1CCCN(C(=O)[C@@]2(F)CCOC2)CC1 1196909755 DTRUIEQTCPJBTM-CQSZACIVSA-N 312.345 -0.711 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)C[C@@H](C)n2cccn2)C1 1197620970 SGQRLNOBHRXKFH-RBSFLKMASA-N 320.393 -0.355 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(CCC[C@@H](C)O)C[C@H]2O)cn1 1197926447 MFJYQPOJNOODLD-DAXOMENPSA-N 317.389 -0.001 30 20 DBED Cc1ocnc1C(=O)N1CCC(NCC(=O)NCC#N)CC1 1199552647 KWQIRPVCBHPYPX-UHFFFAOYSA-N 305.338 -0.183 30 20 DBED C=CCOCC(=O)N1CCC(N[C@H]2CCC(=O)NC2=O)CC1 1199797512 OPLLYKSURKDDQR-LBPRGKRZSA-N 309.366 -0.425 30 20 DBED CN1CCCC[C@H](C(=O)N2CCCO[C@@H](CNCC#N)C2)C1=O 1201857697 XARFDMQSPGVJJH-KBPBESRZSA-N 322.409 -0.024 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCCO[C@H](CNCC(=O)NC)C1 1202200350 LGKCRRQPPZUPEI-QWHCGFSZSA-N 313.398 -0.469 30 20 DBED C=CCNC(=O)CNCC1CCN(C(=O)Cn2nccn2)CC1 1205392306 NNPWCTGJVFFEIE-UHFFFAOYSA-N 320.397 -0.592 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)CC(=O)NCC)C1 1207871738 ALWQTFHKHFLATF-GFCCVEGCSA-N 310.398 -0.605 30 20 DBED CNC(=O)NCCC(=O)N1CCC[C@@H](NCC#CCOC)C1 1207989159 GSCMCISRSZTJJW-CYBMUJFWSA-N 310.398 -0.464 30 20 DBED C#CCOCCC(=O)N1CCC[C@H](N[C@H]2CCC(=O)NC2=O)C1 1208032016 ILAIANKJMAJGCC-STQMWFEESA-N 321.377 -0.588 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)c2csnn2)C1 1208805664 FVNRESIGAOPXRA-GHMZBOCLSA-N 321.406 -0.130 30 20 DBED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)c1cncs1 1211942620 SFQWKMRLJCAKOZ-NXEZZACHSA-N 323.378 -0.788 30 20 DBED C=CCCN1C[C@@H](NC(=O)[C@H](C)NC(=O)COC)[C@H](OC)C1 1212309098 MUFIUNAYYRJBFN-YNEHKIRRSA-N 313.398 -0.471 30 20 DBED C[C@@H]1CN(C(=O)CCOCC2CC2)C[C@H]1NCC(=O)NCC#N 1214614692 LFDHJJRHAHGWDB-TZMCWYRMSA-N 322.409 -0.121 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H]2[C@@H](C1)OCCN2C(=O)C1CC1 1217172431 MZXSQBZDMGZTQZ-FPMFFAJLSA-N 307.394 -0.001 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)COC[C@@H]1CCOC1 1218708952 JVVFMWQOHYYTCK-QLFBSQMISA-N 308.378 -0.416 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)/C(C)=C/CC)C1 1219298316 QJZAXXYXGFSKRQ-BOUYHWOHSA-N 307.394 -0.358 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C2[C@@H]3CCC[C@@H]23)C1 1219417788 DQZGVWXKDNMHCQ-LPWJVIDDSA-N 307.394 -0.504 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(CCc2cnn(C)c2)C[C@@H]1O 1219536195 MJQDACBDEVEKFJ-YCPHGPKFSA-N 322.409 -0.549 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(CC(=O)NCC)C[C@@H]2O)cc1 1220116810 JTTDRNGINNBAKO-CABCVRRESA-N 315.373 -0.421 30 20 DBED C=C(C)C(C)(C)C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[nH]2)C[C@@H]1O 1220123627 IUYWRZFFDURYCU-MNOVXSKESA-N 323.397 -0.628 30 20 DBED CC#CCN1CCC(CNC(=O)Cn2ncn(C)c2=O)CC1 1223687822 SQLGBUMOVOMYSP-UHFFFAOYSA-N 305.382 -0.567 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CC(=O)NC 1225846120 RKAQXEUJDNVIAY-VXGBXAGGSA-N 310.398 -0.558 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)[C@H]2C[C@@H]2C(=O)OC)CC1 1226472138 YEAPFWUBOGNRGE-STQMWFEESA-N 323.393 -0.322 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)[C@H]2CC[C@@H]2C(N)=O)CC1 1228588514 GNZMNPRBGVSJPW-STQMWFEESA-N 322.409 -0.619 30 20 DBED COCC#CCN1CCC(NC(=O)[C@@H]2CC[C@H]2C(N)=O)CC1 1228589656 XDGDDNRUBNCAEC-ZIAGYGMSSA-N 307.394 -0.272 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)Cn2ccnc2C)CC1 1230267435 CMWQZCZVBXCOKZ-UHFFFAOYSA-N 317.393 -0.478 30 20 DBED C=CCCOCC(=O)NC1CCN(Cc2nnnn2C)CC1 1230411816 USOSSGVHPPTNIC-UHFFFAOYSA-N 308.386 -0.117 30 20 DBED C#CCN1CCS(=O)(=O)[C@H](CCNC(=O)Cc2cc[nH]n2)C1 1230439313 OVFUSDNVVAHKSC-CYBMUJFWSA-N 324.406 -0.809 30 20 DBED C=CCOCC(=O)N(C)C[C@@H]1CCN1Cc1nc(=O)n(C)[nH]1 1231227141 WHJRAOYNOSPFJY-NSHDSACASA-N 309.370 -0.656 30 20 DBED CO[C@H](C)CCC(=O)N(C)C[C@H]1CCN1CC(=O)NCC#N 1233827675 KETCSDRPRBEHLS-CHWSQXEVSA-N 310.398 -0.026 30 20 DBED CN(C[C@@H]1CCN1CC(=O)NC(N)=O)C(=O)C#CC(C)(C)C 1234194120 ATFFHXYSHXPVIL-NSHDSACASA-N 308.382 -0.237 30 20 DBED COCC#CCN1CC[C@@H]1CN(C)C(=O)CO[C@H]1CCOC1 1234295561 GMCNZSPYXQODNR-CABCVRRESA-N 310.394 -0.026 30 20 DBED C=CCNC(=O)CN1CC[C@H]1CN(C)C(=O)[C@H]1CCCC(=O)N1 1235633974 SMTUBGXLEGKREH-QWHCGFSZSA-N 322.409 -0.510 30 20 DBED CN(C)CCn1ccc(NC(=O)C(=O)N2CCO[C@H](C#N)C2)n1 1319556524 BSOIJFWNDMHDNK-LLVKDONJSA-N 320.353 -0.866 30 20 DBED CC#CCCNC(=O)C(=O)NC[C@H]1CN(CC(C)C)CCO1 1321593949 RCWDQBNSGUJECP-AWEZNQCLSA-N 309.410 -0.011 30 20 DBED CNC(=O)CN(C)C(=O)C(=O)Nc1ccc(OCC#N)cc1 1322020856 DMTRWGTXUTZZEE-UHFFFAOYSA-N 304.306 -0.268 30 20 DBED CCCN1CCC(NC(=O)C(=O)N2CCO[C@H](C#N)C2)CC1 1322920378 RPMYEHZIRRIUKO-CYBMUJFWSA-N 308.382 -0.272 30 20 DBED CO[C@]1(CNC(=O)C(=O)Nc2ccn(CCC#N)n2)CCOC1 1323954111 WWHIDEUSMVPEKY-AWEZNQCLSA-N 321.337 -0.343 30 20 DBED C=C[C@H](COC)NC(=O)CNC(=O)CNC(=O)OC(C)(C)C 1325637962 BJWBCKWQGJJZBW-SNVBAGLBSA-N 315.370 -0.056 30 20 DBED C#CCOCCNC(=O)C(=O)N(CCN(C)C)Cc1ccco1 1326803870 KXNJDNJZIXSYJU-UHFFFAOYSA-N 321.377 -0.064 30 20 DBED O=C(NCC#CCNC(=O)[C@@]1(F)CCOC1)[C@@]1(F)CCOC1 1326836873 UHYSOJJQHXLUJP-ZIAGYGMSSA-N 316.304 -0.521 30 20 DBED C=C(C)COCCNC(=O)C(=O)N1CC[C@H]2NC(=O)CC[C@@H]2C1 1329030546 ABSKBDFEVQMINS-CHWSQXEVSA-N 323.393 -0.178 30 20 DBED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCCNC(=O)C1 1332748443 RMXHZHQEIQTFDS-DGCLKSJQSA-N 309.366 -0.568 30 20 DBED C=C(C)CN1CCC(NC(=O)C(=O)N2CCO[C@H](C#N)C2)CC1 1341897894 IUOYQEZDCDTHAF-CQSZACIVSA-N 320.393 -0.106 30 20 DBED C=CCCN(C)C(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1342097402 LLIXDWFDOJWGLZ-OUKQBFOZSA-N 320.349 -0.337 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)NCCS(=O)(=O)C(C)(C)C 1346327490 QEBBCTBBOUNKKM-SNVBAGLBSA-N 320.411 -0.367 30 20 DBED N#CCNC(=O)CNC(=O)N1CCCN(C(=O)C2CC2)CC1 1346659849 XKECZVVIKJHXQS-UHFFFAOYSA-N 307.354 -0.720 30 20 DBED C=CCOCCn1nnnc1N1CCC[C@H](N2CCNC2=O)C1 1355630220 XTAAYFUFUABLNC-LBPRGKRZSA-N 321.385 -0.130 30 20 DBED N#CC[C@]1(O)CCN(C(=O)CN2CCCCS2(=O)=O)C1 1363130989 XZRXDAKXXMNPJW-LBPRGKRZSA-N 301.368 -0.711 30 20 DBED C[C@@H]1CN(c2[nH]c(=O)n(C)c(=O)c2C#N)C[C@]2(CCCOC2)O1 1363731658 MEWDXEMYGIVFII-BMIGLBTASA-N 320.349 -0.280 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H](CO)[C@@H]1CCOC1 1363962517 CTYYGPTYPHYWPC-UTUOFQBUSA-N 305.400 -0.300 30 20 DBED Cn1c(=O)[nH]c(N2CCOC[C@@H]2[C@@H]2CCCO2)c(C#N)c1=O 1364177737 JXXIOZFNDCDVES-MNOVXSKESA-N 306.322 -0.671 30 20 DBED C[C@H](C#N)C(=O)N(C)CCN1CCN(Cc2nncn2C)CC1 1366850095 GYVLUNNRJLUEBV-CYBMUJFWSA-N 319.413 -0.449 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCN1CCN(Cc2nncn2C)CC1 1366850098 GYVLUNNRJLUEBV-ZDUSSCGKSA-N 319.413 -0.449 30 20 DBED CC[C@@H](CNC(=O)c1cccn2nnnc12)NC(=O)[C@H](C)C#N 1375095678 HTAJKOBUUQDSNO-ZJUUUORDSA-N 315.337 -0.091 30 20 DBED Cc1cc(CNC[C@H](O)CNC(=O)c2cc(C#N)c[nH]2)nn1C 1379181950 NRNKUSXLNZPFBP-ZDUSSCGKSA-N 316.365 -0.191 30 20 DBED Cc1nn[nH]c1C(=O)N[C@H](C)CNC(=O)c1cc(C#N)c[nH]1 1386714229 NOLUKNGWAHXYAA-SSDOTTSWSA-N 301.310 -0.139 30 20 DBED Cc1nnc(N2CC[C@@](F)(C#N)C2)n1CCNS(C)(=O)=O 1390904979 JITAJPWSZSWYDX-LLVKDONJSA-N 316.362 -0.422 30 20 DBED C[C@@H](CNC(=O)c1cccc(C(N)=O)n1)NC(=O)[C@H](C)C#N 1393046697 NHLJNXSPEGXHHC-BDAKNGLRSA-N 303.322 -0.425 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)[C@H]2CCS(=O)(=O)C2)CC1 1393819042 QEYSGDLKFGCQII-UWVGGRQHSA-N 313.379 -0.654 30 20 DBED C[C@H](C#N)C(=O)N(C)CCNC(=O)COCc1nncn1C 1398018959 JOOJQBFEWWUWOU-SNVBAGLBSA-N 308.342 -0.934 30 20 DBED COc1ccc(CC(=O)NC[C@H](O)CNC(=O)[C@H](C)C#N)cc1 1399871230 OHDKIVTZIWDLQJ-YPMHNXCESA-N 319.361 -0.009 30 20 DBED Cc1nnsc1C(=O)N(C)C[C@@H](O)CNC(=O)[C@@H](C)C#N 1405570026 UJQDCADJVIPVNK-CBAPKCEASA-N 311.367 -0.445 30 20 DBED C=C(Br)CNC[C@H](O)CNC(=O)[C@@H](C)CC(N)=O 1406246544 AXCUGCNFPSPOIB-CBAPKCEASA-N 322.203 -0.527 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]1CN(C)C(=O)CCc1cnn[nH]1 1406539338 VRAXNODFFZFGST-JQWIXIFHSA-N 304.354 -0.044 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C)C(=O)c1cnn(CCN(C)C)c1 1408673520 ABGFTOKBLKZBGS-LBPRGKRZSA-N 320.397 -0.207 30 20 DBED C[C@H](O)[C@H]1CCCCN1C(=O)Cn1cc(C#N)c(O)nc1=O 1411968825 USOBKIRDOUOCIX-GXSJLCMTSA-N 306.322 -0.418 30 20 DBED C=C(Cl)CN1CC[C@@](O)(CNC(=O)CNC(=O)C2CC2)C1 1421339943 QFCVSLQDZUCSPH-CQSZACIVSA-N 315.801 -0.182 30 20 DBED CC(=O)NCC(C)(C)C(=O)N1CCN(C(=O)[C@@H](C)C#N)CC1 1427336661 LEJJHKKLFLDCMZ-NSHDSACASA-N 308.382 -0.021 30 20 DBED C[C@H](NC(=O)NCCn1cc(C#N)c(O)nc1=O)[C@@H]1CCOC1 1427413945 SXCLSIJVFPXAGD-VHSXEESVSA-N 321.337 -0.455 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CN(C)C(=O)CCc1ccncn1 1428207743 XVUNKBLUTRVCDC-DGCLKSJQSA-N 319.365 -0.496 30 20 DBED CC(C)n1cnnc1CNC(=O)Cn1cc(C#N)c(O)nc1=O 1433661239 BTRYTKBGRHKCBA-UHFFFAOYSA-N 317.309 -0.691 30 20 DBED CCO[C@@H]1C[C@](O)(CNc2[nH]c(=O)n(C)c(=O)c2C#N)C1(C)C 1434444696 PAXBFEYMSAEESU-BMIGLBTASA-N 322.365 -0.077 30 20 DBED COc1coc(Cn2c(=O)c(C#N)c(C)n(C)c2=O)cc1=O 1434456221 WUORYJSLRNCVOF-UHFFFAOYSA-N 303.274 -0.263 30 20 DBED N#Cc1ncn(CC(=O)N2CCn3c(nnc3C(F)F)C2)n1 1448717287 KOINUJQKDNUCLO-UHFFFAOYSA-N 308.252 -0.279 30 20 DBED CC[C@@H](CNC(=O)CNC(C)=O)NC(=O)c1ccc(C#N)[nH]1 1450811754 GWRXTQICOGLWJP-JTQLQIEISA-N 305.338 -0.353 30 20 DBED N#Cc1cn(CCNC(=O)CCc2cn[nH]c2)c(=O)nc1O 1453839922 DNJXRTHIYWMXHQ-UHFFFAOYSA-N 302.294 -0.707 30 20 DBED CCN(CCNC(=O)c1cc(C#N)c[nH]1)C(=O)[C@@H]1CCC(=O)N1 1455548405 QKCAVANUZAFPCL-NSHDSACASA-N 317.349 -0.257 30 20 DBED CNC(=O)C1CCC(Nc2[nH]c(=O)n(C)c(=O)c2C#N)CC1 1458310064 LSGQZKYFGRNKMP-UHFFFAOYSA-N 305.338 -0.338 30 20 DBED CCn1nc(C(=O)NC[C@@H](C)CNC(=O)[C@H](C)C#N)ccc1=O 1500321368 AHZMPMLZLIMANO-WDEREUQCSA-N 319.365 -0.095 30 20 DBED CO[C@H](C(=O)N(C)CCNC(=O)[C@@H](C)C#N)c1cnn(C)c1 1528596967 PJZVBBZCCKCWLQ-JQWIXIFHSA-N 307.354 -0.158 30 20 DBED C=C(Cl)C[C@@H](NC(=O)c1cnn(C[C@@H](O)CO)c1)C(=O)O 1573307571 LGICXUCJUWJAJJ-NXEZZACHSA-N 317.729 -0.438 30 20 DBED C#CCOCCC(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CNC(=O)O 1573311411 PCHVYRYTZRIRLP-UTUOFQBUSA-N 323.349 -0.458 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](Nc2cncc(-c3nn[nH]n3)n2)C1 1573565972 XVCKMBAEVJRQNH-IUCAKERBSA-N 313.325 -0.171 30 20 DBED C[C@@H](CNC(=O)[C@H](C)C#N)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 1573586110 ZRJWDXSVLFZQDN-SFYZADRCSA-N 316.325 -0.411 30 20 DBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H](O)CC(=O)O 1573653801 CSKKSZFDKVOVLI-MWLCHTKSSA-N 319.321 -0.779 30 20 DBED N#Cc1c[nH]c(=O)n(CC(=O)Nc2sccc2C(=O)O)c1=O 1574242048 VDUFPHGLGDYUCM-UHFFFAOYSA-N 320.286 -0.193 30 20 DBED C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)NC(=O)[C@H](C)C#N 1574990983 HBSUOXZYGXJVHG-HTQZYQBOSA-N 316.325 -0.411 30 20 DBED CO[C@H](CNc1cnc(-c2nn[nH]n2)c(C#N)n1)[C@H]1CCOC1 1579595098 WNSAZWNFYGDLEU-WCBMZHEXSA-N 316.325 -0.008 30 20 DBED C#C[C@H](CO)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1F 1588328022 WYSREJKTFZZAPW-MRVPVSSYSA-N 311.298 -0.722 30 20 DBED C#CCN(CC(=O)O)S(=O)(=O)c1cccnc1C(=O)OC 1588426431 JNMLGHHTTXDQOC-UHFFFAOYSA-N 312.303 -0.423 30 20 DBED C#CCOCCC(=O)N(C)[C@H](C)CN=c1cc[nH]c(C(=O)O)n1 1588490563 PQCJPWQMMYVFIH-LLVKDONJSA-N 320.349 -0.105 30 20 DBED C=CCCN(C)C(=O)C(=O)N1C[C@H]2COCC[C@@]2(C(=O)O)C1 1588805849 QKIBPYOOFQWUOV-XHDPSFHLSA-N 310.350 -0.029 30 20 DBED N#Cc1ccnc(N2CCN(CC(=O)NCCC(=O)O)CC2)c1 1601127780 XXSLMPQIFHJYEP-UHFFFAOYSA-N 317.349 -0.334 30 20 DBED C#C[C@H]1CCCCN1C(=O)C(=O)Nc1ccn(CC(=O)O)n1 1602672478 NEHKSCMDTLBHBE-JTQLQIEISA-N 304.306 -0.080 30 20 DBED C#CCN(CC(=O)O)C(=O)NCCCCN1CCN(C)CC1 1602685748 FTRKRQBNTDJNFW-UHFFFAOYSA-N 310.398 -0.257 30 20 DBED C#CCN(CC(=O)O)c1nnnn1CCCN1CCCC1=O 1602700708 FROHJLMNIOTMTF-UHFFFAOYSA-N 306.326 -0.790 30 20 DBED CNS(=O)(=O)[C@H]1CCN(c2ccc(C(=O)O)nc2C#N)C1 1606298937 MVIPTJYNGIBPDN-QMMMGPOBSA-N 310.335 -0.221 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)N[C@H]2C[C@@H](C(=O)O)C2)CCN1C1CC1 1608179584 KUIFPVMXPFBPSQ-UMNHJUIQSA-N 320.349 -0.835 30 20 DBED C[C@H](CN1CCN(C)CC1)NC(=O)N1CC[C@@](O)(CC#N)C1 1645861586 IWYNTQUEVHADQF-HIFRSBDPSA-N 309.414 -0.318 30 20 DBED Cn1cc(S(=O)(=O)Nc2cnn(CC#N)c2)cc1C(N)=O 1649692749 PNZUUWCMEMVIND-UHFFFAOYSA-N 308.323 -0.355 30 20 DBED C=CCNC(=O)[C@H](C)N1CC[C@H](NC(=O)c2nnn(C)c2C)C1 1713819226 AOLOUUQNMSRERH-RYUDHWBXSA-N 320.397 -0.382 30 20 DBED CCN(CCCNC(=O)c1cnc(C)[nH]1)CC(=O)NCC#N 1752171061 YBLXOTAIKYMJKY-UHFFFAOYSA-N 306.370 -0.200 30 20 DBED C=CCCO[C@@H](C)C(=O)N[C@H]1C[C@@H](NCc2nnn(C)n2)C1 1752714740 OWLHAAAGYYCFPZ-SDDRHHMPSA-N 308.386 -0.072 30 20 DBED C#CCNC(=O)CN1CC[C@H](CNC(=O)[C@@H](OC)C2CCC2)C1 1753130129 AAPCJFYTPGDZTI-CJNGLKHVSA-N 321.421 -0.011 30 20 DBED C#CCNC(=O)CNCCN(C)C(=O)c1onc2c1CCCC2 1753213585 YAYWHJZXTJHBSH-UHFFFAOYSA-N 318.377 -0.036 30 20 DBED COCCOC[C@H](O)CN1CC(CNC(=O)C#CC2CC2)C1 1753401579 KRDSYWVADAKZCG-OAHLLOKOSA-N 310.394 -0.528 30 20 DBED CC#CCN1CC[C@H](N(C)C(=O)[C@H](C)NS(=O)(=O)CC)C1 1753436299 ITGROLFDOQJYLU-STQMWFEESA-N 315.439 -0.130 30 20 DBED C#CCNC(=O)CN1CC[C@H](N(C)C(=O)c2ccnc(C)n2)C1 1753449887 NLLLBTQOPCKNMN-ZDUSSCGKSA-N 315.377 -0.319 30 20 DBED C#CCOCCC(=O)NCC1(NCC(=O)N2CCOCC2)CC1 1754514204 UUQBLZHHFADHEX-UHFFFAOYSA-N 323.393 -0.877 30 20 DBED C#CCNC[C@@H]1CCCN1C(=O)C1(n2cnnn2)CCOCC1 1754619506 ZLDRRJYMDGTCIR-ZDUSSCGKSA-N 318.381 -0.607 30 20 DBED C=CCNC(=O)[C@H](C)NC[C@]1(C)CCN(C(=O)CC(N)=O)C1 1754690713 RCUOMSBZWNEWHS-NHYWBVRUSA-N 310.398 -0.619 30 20 DBED C#CCN1CCC[C@](CO)(NC(=O)c2cc3n(n2)CCCO3)C1 1754855056 HCWHDJUWHINOTA-INIZCTEOSA-N 318.377 -0.145 30 20 DBED C=C(C)CNC[C@@H]1CN(C(=O)CCn2ncn(C)c2=O)CCO1 1755004406 AKYJTIDTAIBULJ-CYBMUJFWSA-N 323.397 -0.635 30 20 DBED N#CCN1CCN([C@@H]2CCN(C(=O)CNC(=O)C3CC3)C2)CC1 1755016629 DENAUXJCOZHOQV-CQSZACIVSA-N 319.409 -0.745 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)CN2CCCC2)C[C@@H]1C 1755122692 SQFQIVYUMCQQJG-UONOGXRCSA-N 308.426 -0.179 30 20 DBED C=C(C)CNCC1(O)CCN(C(=O)c2c[nH]c(=O)cn2)CC1 1755152931 UTKVGPJFJQYJFY-UHFFFAOYSA-N 306.366 -0.097 30 20 DBED C=CCn1cc(C(=O)N[C@H](C)[C@@H](C)NCc2nc(O)n[nH]2)nn1 1755255331 FYDIVHAWJWGVBX-RKDXNWHRSA-N 320.357 -0.416 30 20 DBED C#CCOCCC(=O)N1CCO[C@H]([C@H](C)NCC#CCOC)C1 1755442675 VFDOGARCOXAWMR-HOTGVXAUSA-N 322.405 -0.118 30 20 DBED C#CCCN[C@H](CO)CNC(=O)CN1CCCCCCC1=O 1755631007 VPDQAYSMPSGEBJ-AWEZNQCLSA-N 309.410 -0.131 30 20 DBED C[C@@H]1C[C@@H]1C(=O)NC1(CCO)CN(C(=O)CSCC#N)C1 1756075202 CVVMEWFRIKOOBD-MNOVXSKESA-N 311.407 -0.021 30 20 DBED C=CCOCC(=O)N[C@H]1C[C@@H](C)N(C(=O)c2cn(C)nn2)C1 1756587238 GVWBATIVLBNZHS-MNOVXSKESA-N 307.354 -0.263 30 20 DBED C=CCOCC(=O)N[C@H]1C[C@H](C)N(C(=O)c2cnnn2C)C1 1756588855 WRZWGRAMHXHCTB-QWRGUYRKSA-N 307.354 -0.263 30 20 DBED CC(C)C#CC(=O)N[C@@H]1C[C@H](C)N(C(=O)Cn2ncnn2)C1 1756595914 UCOJIHMXYMHGBJ-NWDGAFQWSA-N 304.354 -0.562 30 20 DBED C=C1CCC(C(=O)N2CCCO[C@@H](CNC(=O)C(N)=O)C2)CC1 1756843721 QPKMSJWUFWOBEL-ZDUSSCGKSA-N 323.393 -0.048 30 20 DBED C=CCCOCC(=O)N1CC[C@@H](CNC(=O)C(N)=O)[C@H](C)C1 1756943765 AUTIWKMFTADVEC-NEPJUHHUSA-N 311.382 -0.335 30 20 DBED N#CCSCC(=O)N[C@@H]1CN(C(=O)[C@H]2CC2(F)F)C[C@H]1O 1756979230 JVUZHPJSWLATLS-IWSPIJDZSA-N 319.333 -0.414 30 20 DBED CC(C)OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC#N)C2 1792611327 VRNOBDVBNIWJMZ-JJLQDPRZSA-N 309.366 -0.085 30 20 DBED N#CCC(=O)N1CCCC2(CCN(C(=O)CNC(N)=O)CC2)C1 1809027453 QGGIZORFPCUKBZ-UHFFFAOYSA-N 321.381 -0.200 30 20 DBED C#CCNS(=O)(=O)c1ccc(C(=O)NCC(=O)NC)cc1 25267660 VFFGWCWDQYKHHQ-UHFFFAOYSA-N 309.347 -0.926 30 20 DBED N#CCCN(CCN1CCOCC1)C(=O)CN1CCCC1=O 195166283 XETLFHHGNIVNJH-UHFFFAOYSA-N 308.382 -0.317 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H](OC)C(C)C)C1=O 266698280 PBKKNJBIYLGVNM-SNVBAGLBSA-N 311.338 -0.250 30 20 DBED N#C[C@@H]1COCCN1C(=O)CCNS(=O)(=O)c1cccnc1 267144567 HPFUDFIADOLTHC-LLVKDONJSA-N 324.362 -0.499 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCCC[C@H]2CCO)C1=O 270510797 OSMTYANILCBATQ-NSHDSACASA-N 323.349 -0.273 30 20 DBED N#Cc1ccc(NC(=O)C(=O)N2C[C@@H](O)[C@H](O)C2)cc1Cl 277569179 QIABHHULXNMBNQ-GHMZBOCLSA-N 309.709 -0.286 30 20 DBED C#CCN(C)C(=O)NCCS(=O)(=O)N1CCSCC1 290823672 AGTRHBBKYAUCKI-UHFFFAOYSA-N 305.425 -0.360 30 20 DBED CC1(C)C[C@]1(C#N)NC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 291423445 KVIUSLGFRXGCDQ-BDMGVTFQSA-N 317.345 -0.043 30 20 DBED C[C@]1(C2CC2)NC(=O)N(CC(=O)n2ncc(C#N)c2N)C1=O 299481221 YRHHKSASPPKXIN-CYBMUJFWSA-N 302.294 -0.302 30 20 DBED Cc1noc([C@@H]2CN(/C(O)=N/[C@@H]3CCN(C)C3=O)CCN2C)n1 329001784 HRXIYEUIKQFDEL-MNOVXSKESA-N 322.369 -0.189 30 20 DBED CNC(=O)Cn1cc(N/C(O)=N/CCN2CCOCC2)cn1 330466475 XEYXEVUZIYARGD-UHFFFAOYSA-N 310.358 -0.713 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N[C@@H](CCO)c2ccco2)CCO1 336947571 PKWDPZQXJYOWCT-MNOVXSKESA-N 315.351 -0.238 30 20 DBED CC1(C)CCC[C@]1(O)CNS(=O)(=O)N1CCO[C@@H](C#N)C1 339019241 BEKBUJAGRYIFDM-AAEUAGOBSA-N 317.411 -0.014 30 20 DBED COCCNC(=O)[C@@H](CC(C)C)NC(=O)Cn1cnc(C#N)n1 339612490 PFDUPHYKMNBFRE-LLVKDONJSA-N 322.369 -0.557 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCCN(C)[C@H]2C)C1=O 343459068 WIPDJTUWHWKBFU-QWRGUYRKSA-N 322.365 -0.438 30 20 DBED C=CCn1c(C(=O)NC(C)C)nnc1N1CCNC(=O)CC1 351115090 LQEVJJIXFCHPQK-UHFFFAOYSA-N 306.370 -0.071 30 20 DBED COC(=O)c1ccccc1S(=O)(=O)NCC(=O)NCC#N 352533824 WPWDAYIRJSZIDU-UHFFFAOYSA-N 311.319 -0.609 30 20 DBED N#CCCN(CCC#N)C(=O)CN1C[C@H]2CCS(=O)(=O)[C@H]2C1 353113519 SXPNOPXBXPTSMM-OLZOCXBDSA-N 324.406 -0.239 30 20 DBED CC(C)[C@H](NC(=O)c1cnn(C)c1C#N)C(=O)N1CCOCC1 356401727 USKNDWLDTAQLHM-ZDUSSCGKSA-N 319.365 -0.095 30 20 DBED N#CCNC(=O)CNC(=O)NC[C@H](O)COc1ccc(F)cc1 358319708 YZDPOYLVLIXSOM-NSHDSACASA-N 324.312 -0.496 30 20 DBED N#Cc1nc(NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)[nH]c1C#N 361542375 YJSDYBYKENVYBF-ZETCQYMHSA-N 310.277 -0.132 30 20 DBED C[C@@H]1CN(c2nccnc2C#N)CCN1c1ccc2nnnn2n1 362559893 FCSTUIIKMUYBFM-SNVBAGLBSA-N 322.336 -0.104 30 20 DBED CN1C(=O)c2ccc(NC(=O)C(=O)NCCC#N)cc2C1=O 427886153 OFPRDMGSMCZVOO-UHFFFAOYSA-N 300.274 -0.119 30 20 DBED C[C@H]1CN(C(=O)C(=O)Nc2ccn(CCC#N)n2)CCCO1 444509586 WRKPFOOUFZMKCW-NSHDSACASA-N 305.338 0.373 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C)[C@H](OC)C2CC2)C1=O 456593537 NARNHOWCNXORJO-SKDRFNHKSA-N 323.349 -0.107 30 20 DBED C#CCNC(=O)CN1CCN([C@@H](C)C(=O)NCCCC)CC1 491125876 ICZKIDMVLXIRED-AWEZNQCLSA-N 308.426 -0.342 30 20 DBED C#C[C@H](C)N(C)CC(=O)N(CCOC)[C@H]1CCS(=O)(=O)C1 491497756 ZXLBKFVJAOVMEG-STQMWFEESA-N 316.423 -0.398 30 20 DBED COCCN(CCC(=O)O)S(=O)(=O)N(C)C[C@@H](C)C#N 563227034 SCXLVHBNSSPBDS-JTQLQIEISA-N 307.372 -0.254 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)NCC1(C(=O)O)CCOCC1 565302563 BBBUXLBDRUSFLH-JTQLQIEISA-N 319.383 -0.206 30 20 DBED CS(=O)(=O)N1CCN(CCNC[C@@H](C#N)CCC#N)CC1 591729174 GSSMMMGIUAKRRW-CYBMUJFWSA-N 313.427 -0.403 30 20 DBED C[C@H]1CO[C@H](C)CN1CCNS(=O)(=O)N(C)CCC#N 594817100 NNGNTCWVMZEBPG-NWDGAFQWSA-N 304.416 -0.225 30 20 DBED N#Cc1ccc(NCC(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)nc1 599937710 IMAFPYZQASJISW-KGLIPLIRSA-N 315.377 0.033 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(OCC)CC2)C1=O 623226513 JNPGEIXJUXWSMA-UHFFFAOYSA-N 323.349 -0.009 30 20 DBED CCn1c(N)c(C(=O)CN2CC[C@@](O)(CC#N)C2)c(O)nc1=O 646030563 RMQSLQYDWNFAQG-AWEZNQCLSA-N 321.337 -0.916 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C)COCC2CC2)C1=O 650797391 USUWNMQPRKSKMP-SNVBAGLBSA-N 323.349 -0.106 30 20 DBED COC(=O)N1CCC[C@@H](Nc2c(C#N)c(=O)n(C)c(=O)n2C)C1 726594911 IUPOVUROZCLUHH-SECBINFHSA-N 321.337 -0.402 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)C(C)(C)NC(=O)O)CC1 736106965 NMWSPLHNJODAHQ-UHFFFAOYSA-N 312.370 -0.521 30 20 DBED N#Cc1cc(-c2nn[nH]n2)c(N)nc1SC[C@@H]1CNC(=O)O1 737706234 WWFAWHBYSOOGHY-LURJTMIESA-N 318.322 -0.084 30 20 DBED OCc1ccc(C=NNC(=S)NCCN2CCOCC2)o1 739400271 OVNUOHDBLRGOGB-UHFFFAOYSA-N 312.395 -0.098 30 20 DBED COCCNC(=O)[C@@H](C#N)C(=O)CCn1cc([N+](=O)[O-])cn1 741111065 FKRHUBVZATWBRQ-JTQLQIEISA-N 309.282 -0.347 30 20 DBED CC#CCOC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 744457489 WNTCXTYZVFUMSX-SNVBAGLBSA-N 312.347 -0.282 30 20 DBED C#CCOCCNC(=O)NCc1cccc(OCC(N)=O)c1 753199819 RAXMFVDNWUIWCK-UHFFFAOYSA-N 305.334 0.000 30 20 DBED COC[C@H](NS(=O)(=O)c1cccc(F)c1C#N)C(N)=O 758480697 GXIPDAXMKTXWBO-VIFPVBQESA-N 301.299 -0.524 30 20 DBED N#Cc1cccc(OCC(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)c1 759620716 DHZFMAFJCRSFHG-GFCCVEGCSA-N 314.301 -0.300 30 20 DBED C#C[C@H](NS(=O)(=O)N(CCOC)CCOC)[C@H]1CCCO1 773058342 UAHKCJSOTMMZPR-QWHCGFSZSA-N 320.411 -0.404 30 20 DBED CN(CC(=O)NC1CC1)c1cccc(S(N)(=O)=O)c1C#N 784560182 KJNCCEFAGHTKCI-UHFFFAOYSA-N 308.363 -0.080 30 20 DBED C#CCOc1cccc(NC(=O)C(=O)N[C@@H]2CNC(=O)C2)c1 784869218 SMNCFQNAGMWCBI-NSHDSACASA-N 301.302 -0.358 30 20 DBED CN(C[C@@H](O)CN1CCOCC1)S(=O)(=O)CC(C)(C)C#N 790030532 AROWBLIPZVZSSZ-GFCCVEGCSA-N 319.427 -0.509 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)CCn1cnccc1=O 796319400 PZGWNRYIXZNLPV-SNVBAGLBSA-N 322.321 -0.423 30 20 DBED C=CCN1CC[C@H](OC(=O)c2cn(C)c(=O)n(C)c2=O)C1=O 798617964 DNCSGQZUYYLGNW-JTQLQIEISA-N 307.306 -0.972 30 20 DBED C#C[C@@H](NC(=O)C(=O)N(C)CCc1cnccn1)[C@H]1CCCO1 809312099 XSKYARVCBDDNMW-ZIAGYGMSSA-N 316.361 -0.226 30 20 DBED C=CCS(=O)(=O)CCNC(=O)NCc1nc(N(C)C)no1 812193725 QSBGYKLIDPAZJG-UHFFFAOYSA-N 317.371 -0.464 30 20 DBED C=CCn1cc(C(=O)NS(=O)(=O)c2cnn(C)c2C)nn1 842803111 GUFAWDFASNQLBQ-UHFFFAOYSA-N 310.339 -0.375 30 20 DBED C#CCNC(=O)CN1CCN(Cc2nnn(C(C)(C)C)n2)CC1 846796802 NGGQTTCENUHASM-UHFFFAOYSA-N 319.413 -0.705 30 20 DBED C#CCCN(CCOC)C(=O)NCCCN(C)S(C)(=O)=O 853408133 JSJWPXOSZGJKQY-UHFFFAOYSA-N 319.427 -0.051 30 20 DBED O=C1C[C@@](C(=O)N[C@H]2CCCN(O)C2=O)(c2ccccc2)CN1 854649265 TXFKZAOJGLDXFL-LRDDRELGSA-N 317.345 -0.059 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@H]1CC[C@H](CN)CC1)[C@H]1CCCO1 884552891 LEFGBPOMUHIGPM-XDQVBPFNSA-N 307.394 -0.083 30 20 DBED Cc1ccc(S(=O)(=O)NCC(=O)NCC#CCN(C)C)cc1 913514476 REMKLOXEDYOEBR-UHFFFAOYSA-N 323.418 -0.045 30 20 DBED C=CCCn1cc(C(=O)N[C@@H]2CCN(C(=O)CC(N)=O)C2)nn1 940691692 LAELRSLILUUSCV-SNVBAGLBSA-N 320.353 -0.940 30 20 DBED CC#CCN1CC[C@H](NC(=O)Cn2nc(C)n(C)c2=O)[C@H](C)C1 944533319 PIJADUMYQPDEDJ-OCCSQVGLSA-N 319.409 -0.260 30 20 DBED C#CCCN1C[C@H]2CCN(C(=O)[C@H]3CNC(=O)N3)CC[C@H]2C1 946743613 WQRYOUGICXMCJM-HZSPNIEDSA-N 304.394 -0.139 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(NC(=O)CN2CCCNC2=O)CC1 948098270 CKHNDRWQINRFQF-NSHDSACASA-N 321.381 -0.331 30 20 DBED C#CCN1CCC[C@@H](N(C)C(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 948821117 ZBEFUAVXNDUONH-NEPJUHHUSA-N 306.366 -0.469 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H]2CNC(=O)c2cc[nH]n2)nn1 948890367 CYPSVMPVLSIOOW-JTQLQIEISA-N 315.337 -0.168 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H]2CCN2C(=O)[C@@H]2COCCO2)c1 949283013 DZHUHIADPSXQFI-YPMHNXCESA-N 318.333 -0.368 30 20 DBED O=C(Cc1nc[nH]n1)N[C@@H]1CCCN(C(=O)C#CC2CC2)C1 950764519 QIJGHUYVBSNBDS-GFCCVEGCSA-N 301.350 -0.132 30 20 DBED C=C(Cl)CN1CCN(C(=O)[C@H]2CCN(C)S2(=O)=O)CC1 951715446 PQPSJIQOFPOSNO-LLVKDONJSA-N 321.830 -0.083 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CCC[C@H](C1)N2C(=O)Cn1cnnn1 952784726 RFUPCEAHYUAFBP-SDDRHHMPSA-N 317.353 -0.575 30 20 DBED C#Cc1ccc(C(=O)N2CC(N(C)C(=O)Cn3cncn3)C2)nc1 955377195 IFOPPFFIKNKOCQ-UHFFFAOYSA-N 324.344 -0.363 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2cncc3ncn(C)c23)C1 958153615 VNMPCCCGBJFYHM-RISCZKNCSA-N 313.361 -0.376 30 20 DBED Cc1c(Cl)c(C(=O)NC[C@@H]2CN(CC#N)C[C@@H]2O)nn1C 958438844 OMOGWKYGULRIHU-ZJUUUORDSA-N 311.773 -0.072 30 20 DBED CNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)c3ccc(C#N)[nH]3)[C@H]2C1 958590045 KCENHHKEGAGWFF-GOONRYMUSA-N 301.350 -0.319 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2[C@H]3COC[C@H]32)C1 958930642 ZCLHMIMSQYZZQN-DIURFFJMSA-N 307.350 -0.931 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)C2CCC2)C1 961119812 XVPOOBUGQNLTSZ-ILXRZTDVSA-N 319.405 -0.428 30 20 DBED CC#CCN1C[C@H]2C(NC(=O)[C@@H]3CN4CC5CC4(CO3)C5)[C@@H]2C1 961286860 ZKOGGKGVDHISCO-HIJUSWDOSA-N 315.417 -0.081 30 20 DBED C#CCCN1C[C@@H]2C(NC(=O)c3cnc(O)n(C)c3=O)[C@H]2C1 961464322 CJXWRTPQNKORGP-QWRGUYRKSA-N 302.334 -0.831 30 20 DBED C#CCCN1C[C@H]2C(NC(=O)[C@@H]3CCc4nnn(C)c4C3)[C@@H]2C1 961600993 PVMSGMAXOZUYTB-JHJVBQTASA-N 313.405 -0.010 30 20 DBED C#Cc1cncc(C(=O)N[C@H]2[C@@H]3CN([C@H](CC)C(N)=O)C[C@@H]32)c1 961723895 UIIKURBULXLPKW-BARDWOONSA-N 312.373 -0.013 30 20 DBED C=CCn1cc(C(=O)NC2[C@@H]3CN([C@H](C)C(=O)NC)C[C@@H]23)nn1 961996176 XIZVFOQAPVUNCO-GMTAPVOTSA-N 318.381 -0.741 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@H](NC(=O)[C@H]2CCN(C)C2)C1 963394075 LQKAEKAKCRGVDV-XQQFMLRXSA-N 309.410 -0.162 30 20 DBED C#CCNC1CC2(C1)CC(NC(=O)Cn1ccc(O)nc1=O)C2 964249025 KNJFXJHULQQATB-UHFFFAOYSA-N 316.361 -0.401 30 20 DBED O=C(C#CC1CC1)N1CC2(C1)CN(C(=O)[C@H]1CCOC1)CCO2 965317931 CKHGGOSLHLRZKL-AWEZNQCLSA-N 318.373 -0.124 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)c1ncn(C)n1 968961818 WCAVHCJBBFJJEW-MXWKQRLJSA-N 302.338 -0.210 30 20 DBED N#Cc1cccc(CN[C@@H]2CCN(C(=O)[C@H]3CNC(=O)N3)C2)c1 969766340 LVUOLQRQJYENQE-ZIAGYGMSSA-N 313.361 -0.070 30 20 DBED C[C@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)[C@H]1CNC(=O)N1)C2 969805068 IZPMCGQCIZAXPN-VPOLOUISSA-N 305.338 -0.971 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 970657369 SKWKERBHLUQQIC-YTWAJWBKSA-N 309.366 -0.992 30 20 DBED Cn1cc(C(=O)N2CC[C@@H]3CN(C(=O)C#CC4CC4)[C@@H]3C2)nn1 972084148 ZKNJWQICGHJURE-TZMCWYRMSA-N 313.361 -0.099 30 20 DBED CNC(=O)[C@@H](C)N1CCO[C@@]2(CCN(C(=O)C#CC3CC3)C2)C1 972381037 LUADRPOVIMDIQS-DYVFJYSZSA-N 319.405 -0.162 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)C3(C(N)=O)CC3)[C@@H]2C1 974951620 ASQONUZSIAAYLX-HBNTYKKESA-N 304.350 -0.529 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)COC 977926143 JEVIIJRQNIKTLF-KGLIPLIRSA-N 307.394 -0.210 30 20 DBED C#CCN1CCCC2(C1)CN(C(=O)Cn1ncn(C)c1=O)C2 981861571 XPIHOASFHGSCOU-UHFFFAOYSA-N 303.366 -0.861 30 20 DBED C=CCN(C)C1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)CC1 985463670 XHMMUDHDAVIGRZ-UHFFFAOYSA-N 320.393 -0.344 30 20 DBED C[C@H]1[C@H](NCc2nc(=O)n(C)[nH]2)CCN1C(=O)C#CC1CC1 986284177 ZZCUWEGOXSKLQM-CMPLNLGQSA-N 303.366 -0.399 30 20 DBED C=C(C)CN1CCCN(C(=O)CN2C(=O)CN(C)C2=O)CC1 989624137 YMKKKGRKVDQVNE-UHFFFAOYSA-N 308.382 -0.009 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H](OC)C2CC2)C1 994752577 SNCWKGFEEGNJHH-LSDHHAIUSA-N 319.405 -0.164 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC(NC(=O)c2cncn2C)C1 995028758 IIDPKWQWNTUNQM-ZDUSSCGKSA-N 315.377 -0.542 30 20 DBED C#CCNC1CCN(C(=O)C[C@]2(C)CCS(=O)(=O)N2)CC1 997210118 HSHJTWIJMIHUNY-AWEZNQCLSA-N 313.423 -0.328 30 20 DBED CNC(=O)c1cccc(C(=O)NC2CN(C(=O)[C@@H](C)C#N)C2)n1 997711409 BPJUOGPNHVVYBD-VIFPVBQESA-N 315.333 -0.459 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@@H]1CCCN1C(=O)C(N)=O 1002923684 PMIBSFVNOKDFIA-AVGNSLFASA-N 323.393 -0.098 30 20 DBED CCC(=O)N1CC[C@H](C(=O)NCC2CN(C(=O)[C@@H](C)C#N)C2)C1 1004365850 JONFKIPKBVCUPM-AAEUAGOBSA-N 320.393 -0.021 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCC1CN(C(=O)[C@@H]2CCC(=O)N2)C1 1004521990 TWNJPKLJDTXRCB-AGIUHOORSA-N 321.377 -0.569 30 20 DBED Cc1nn(CC(=O)N(C)C2CCN(CC#N)CC2)c(=O)n1C 1006356135 LPXUMXOEMIVEPY-UHFFFAOYSA-N 306.370 -0.663 30 20 DBED C[C@@H]1CN(C(=O)[C@H](C)C#N)CC2(CCN(C(=O)C(N)=O)CC2)O1 1006773043 CFLHLLDJZHVVCW-GHMZBOCLSA-N 322.365 -0.760 30 20 DBED C#CCCN1CCC[C@H](NC(=O)c2nccnc2C(N)=O)C1 1009458791 JAFNAOHBPNATRM-NSHDSACASA-N 301.350 -0.207 30 20 DBED N#Cc1c[nH]c(C(=O)N2CCN(C(=O)C3(C(N)=O)CC3)CC2)c1 1010920789 JTTPRWMIDSRWIK-UHFFFAOYSA-N 315.333 -0.564 30 20 DBED C=C(Cl)CN1CC[C@@H](NC(=O)Cn2ccc(O)nc2=O)C1 1015136991 HSYPOPWMOAZAMF-SNVBAGLBSA-N 312.757 -0.108 30 20 DBED CC#CCN1CC[C@@H](NC(=O)C2CC3(C2)NC(=O)NC3=O)C1 1015831633 XKSDDCKZOCHMGY-LOIXOFCESA-N 304.350 -0.812 30 20 DBED C[C@H](C#N)C(=O)N1CC=C(CNC(=O)c2cnn(C)n2)CC1 1017576048 GQHADTODBRCCCN-SNVBAGLBSA-N 302.338 -0.137 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@H](N[C@@H](CC)C(N)=O)C1 1018986186 UXDHYBHQNRANKO-IHRRRGAJSA-N 306.410 -0.462 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2C[C@H](NCc3nc(O)n[nH]3)C2)[nH]1 1020085379 QKJREKFKMKAZLQ-KYZUINATSA-N 301.310 -0.239 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CCN(C(=O)c3c[nH]c(=O)cn3)[C@@H]2C1 1022535268 KEQLRBUSMIYGLD-JFGNBEQYSA-N 315.333 -0.398 30 20 DBED C=C(Br)CN[C@H]1C[C@@H](NC(=O)c2nnn(C)n2)C1 1022560702 REMKHUQBFHTEQI-OCAPTIKFSA-N 315.175 -0.031 30 20 DBED CC#CCN1CC(NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 1030765435 DCIMEQVIXOZVMX-UHFFFAOYSA-N 300.326 -0.869 30 20 DBED CN(C(=O)c1c[nH]c(C#N)c1)[C@H]1CCN(Cc2nnn(C)n2)C1 1033017900 BFXCJPCXCVOQFS-LBPRGKRZSA-N 314.353 -0.244 30 20 DBED C=CCN1CCO[C@H](CNC(=O)C2CCS(=O)(=O)CC2)C1 1035527367 QONMMZVRESRDMK-CYBMUJFWSA-N 316.423 -0.186 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2CN([C@H](C)COC)CCO2)nn1 1035536421 QDQFVTUEMDMAEC-OLZOCXBDSA-N 323.397 -0.070 30 20 DBED CC#CCN1CCO[C@H](CNC(=O)c2ccc(C(N)=O)cn2)C1 1035619399 JTUKJENWXUOFCG-CYBMUJFWSA-N 316.361 -0.366 30 20 DBED C=CCCn1cc(C(=O)N[C@H]2[C@H]3C[C@H]2N(CC(=O)NC)C3)nn1 1037620928 TWJIDZBMNFHDDS-SUHUHFCYSA-N 318.381 -0.597 30 20 DBED Cc1n[nH]c(C)c1C(=O)N1CC[C@](O)(CNC(=O)[C@@H](C)C#N)C1 1040758869 CEDBGVPYDSJMKJ-VFZGTOFNSA-N 319.365 -0.121 30 20 DBED C[C@@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)c2cnns2)C1 1040762256 GYWRJSQZTGEGQP-QPUJVOFHSA-N 309.351 -0.609 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(O)(CNC(=O)CCSC)C1 1041372610 GKTSVFSLCYXTJO-CYBMUJFWSA-N 316.423 -0.244 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(O)(CNC(=O)[C@H]2CCOC2)C1 1041879143 XWMPRONDTQSVFQ-SMDDNHRTSA-N 312.366 -0.961 30 20 DBED CC1(C)C[C@@H]1C(=O)NCC1(O)CN(C(=O)CSCC#N)C1 1042593199 UBJNVLCQLQTTPT-SNVBAGLBSA-N 311.407 -0.021 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(O)CN(C(=O)CCCOC)C1 1042805850 ACORQZXYSNTXTO-CQSZACIVSA-N 314.382 -0.570 30 20 DBED N#Cc1cc(C(=O)N2CC(O)(CNC(=O)[C@H]3CC3(F)F)C2)c[nH]1 1042910123 JHDWLMOCVJMYIT-SNVBAGLBSA-N 324.287 -0.155 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)C[C@](C)(O)C2CC2)C1 1042936549 LYFKMKKHJPWYKA-INIZCTEOSA-N 322.405 -0.114 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)C1CN(CC(=O)N2CCC2)C1 1042959732 AAAWHEBUAQIMIK-HNNXBMFYSA-N 318.421 -0.541 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)Cc2ccn(C)n2)C1 1042986673 YEUPDSZMWPYKOV-UHFFFAOYSA-N 318.377 -0.689 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)[C@H]2CO[C@H](C)C2)C1 1043632690 MFIUJRYAHBGWTL-CHWSQXEVSA-N 324.377 -0.859 30 20 DBED Cc1cnoc1C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1044156266 JMYOEGZXKRMXCX-MNOVXSKESA-N 314.305 -0.376 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)[C@]23CCC[C@H]2OCC3)C1 1044192196 WOZWEAOSASVJEC-OZVIIMIRSA-N 321.377 -0.205 30 20 DBED C=C(C)C[C@@H](C)C(=O)N1CC(O)(CNC(=O)[C@H]2CCNC2=O)C1 1044455623 HAKKMUPYQGOHGG-NEPJUHHUSA-N 323.393 -0.586 30 20 DBED C#CCN[C@H]1CCN(C(=O)Cn2nc(C)n(C)c2=O)[C@H](C)C1 1044835968 HZJSGCSPIOWCCB-YPMHNXCESA-N 305.382 -0.507 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)CCCF)C1 1044859881 CFUKLPGZWNBLBL-LLVKDONJSA-N 300.330 -0.536 30 20 DBED C=CCCN1CC[C@@](C)(NC(=O)c2cn(CC(N)=O)nn2)C1 1046853848 GBLDKYBJLMEZOA-CQSZACIVSA-N 306.370 -0.466 30 20 DBED C=CCCOCC(=O)N1C[C@H]2C[C@@H](NC(=O)CC(N)=O)C[C@H]1C2 1047429428 ARGVQDFQZURDIX-YNEHKIRRSA-N 323.393 -0.050 30 20 DBED C=CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCN(C)C(=O)C2)C1 1047433174 BPNCRKOUJUQUJH-IHRRRGAJSA-N 309.410 -0.066 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CCCS2(=O)=O)C1 1047471266 INNAKKHXYRPQLO-AGIUHOORSA-N 316.423 -0.357 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CN(Cc3nc(=O)n(C)[nH]3)C[C@@H]2C1 1048728035 RUGMVAMEJDOJKX-GARJFASQSA-N 304.354 -0.842 30 20 DBED COCCn1cc(C(=O)N2CC3(CCN(CC#N)CC3)C2)nn1 1050515494 ZEJDWNJHYIULEX-UHFFFAOYSA-N 318.381 -0.014 30 20 DBED C[C@@H](NC(=O)C#CC1CC1)[C@@H]1CCN(C(=O)CCNC(N)=O)C1 1050702923 CMRCYMRZLAGSHD-DGCLKSJQSA-N 320.393 -0.189 30 20 DBED C#CCCN1CCOC[C@@H]1CNC(=O)c1cc(OC)n(C)n1 1051013991 MIMUFFFLKVAKDO-LBPRGKRZSA-N 306.366 -0.117 30 20 DBED C=CCN1CC2(C1)CN(C(=O)Cc1cn(CC)nn1)CCO2 1053353360 NMHYFXNQRPFDQO-UHFFFAOYSA-N 305.382 -0.060 30 20 DBED C[C@@]1(C(=O)N[C@@H]2COC3(C2)CN(CC#N)C3)CCC(=O)NC1 1053903657 WGZBUBMONJOABU-SMDDNHRTSA-N 306.366 -0.614 30 20 DBED C=C(C)C[C@H](C)C(=O)N[C@]1(CO)CCCN(C(=O)C(N)=O)C1 1056066000 SEZFZOJKWIMXOU-XHDPSFHLSA-N 311.382 -0.456 30 20 DBED C=CC(C)(C)CC(=O)NCCN(CCO)C(=O)CC(=O)NC 1057411711 OKFMGAADNNTOTL-UHFFFAOYSA-N 313.398 -0.338 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)CC1OCCCO1 1057423572 FCKZTRFDRIMTMG-LLVKDONJSA-N 313.354 -0.764 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)CCOCC#C 1057445429 UZEJRWVELHNGLV-UHFFFAOYSA-N 308.378 -0.233 30 20 DBED C[C@@]1(C(=O)NCCN(CCO)C(=O)C#CC2CC2)CCC(=O)N1 1057536089 YXHHTFMICYYCIO-INIZCTEOSA-N 321.377 -0.994 30 20 DBED COCC1(CC(=O)N(CCO)CCNC(=O)[C@H](C)C#N)CC1 1057549941 VEQDWKOWBGKHSY-GFCCVEGCSA-N 311.382 -0.100 30 20 DBED CCn1ncc(C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N)c1C 1058532150 NITGGHAUGIGYLP-NSHDSACASA-N 321.381 -0.078 30 20 DBED C[C@H](C#N)C(=O)NCC[C@@H]1CCN(C(=O)Cn2cnnn2)C1 1059130002 UHRJOUKZRKKXOU-GHMZBOCLSA-N 305.342 -0.812 30 20 DBED C[C@H](NC(N)=O)C(=O)N1CC[C@@H](CCNC(=O)C#CC2CC2)C1 1059534768 QAULTPHVKSJSLT-WCQYABFASA-N 320.393 -0.189 30 20 DBED C=CCOCC(=O)NCC[C@H]1CCN(C(=O)c2cnnn2C)C1 1059572415 PJBVGHOOVMVKGF-LBPRGKRZSA-N 321.381 -0.014 30 20 DBED O=C(C#CC1CC1)NCC[C@@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 1059573985 IIKGVCYIHRAHAP-OLZOCXBDSA-N 319.361 -0.137 30 20 DBED CC(=O)N1CC(C(=O)N[C@H]2C[C@@H](N=c3cc[nH]cc3C#N)C2)C1 1059615745 PGSCQCRWOATBSW-OKILXGFUSA-N 313.361 -0.087 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](CCNC(=O)C(N)=O)C1 1059725933 ZWIJEVVNNCDPFN-AVGNSLFASA-N 323.393 -0.192 30 20 DBED N#Cc1cnc(N[C@@H]2CC[C@H]3CN(C(=O)C(N)=O)C[C@H]32)cn1 1060552374 DTWYGGOLGVTASN-JMJZKYOTSA-N 300.322 -0.518 30 20 DBED CCOCC(=O)N1CCOC[C@H]1CNC(=O)CSCC#N 1061318206 QSYBWRCAPRHNIQ-LLVKDONJSA-N 315.395 -0.377 30 20 DBED NC(=O)C1(C(=O)NC[C@H]2COCCN2C(=O)C#CC2CC2)CC1 1061838465 KDTXKHSRXKVARU-LBPRGKRZSA-N 319.361 -0.991 30 20 DBED N#Cc1cncc(N2[C@H]3CC[C@H]2CN(C(=O)CC(N)=O)C3)n1 1061939270 WJRLCIUUBWZIRZ-QWRGUYRKSA-N 300.322 -0.597 30 20 DBED N#Cc1cnc(NC[C@H]2CCCN2C(=O)[C@H]2CNC(=O)N2)cn1 1063552355 ATSGFACGBFJKFD-GHMZBOCLSA-N 315.337 -0.567 30 20 DBED N#Cc1nccnc1N1CCO[C@H](CNC(=O)c2ccon2)C1 1063615884 GSYGFDHPDBCFSG-SNVBAGLBSA-N 314.305 -0.029 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)Cn2c(O)nnc2O)CCC1 1063866011 RKPPKYXEYMEIIO-QMMMGPOBSA-N 322.325 -0.996 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)c2cn(C)c(=O)cn2)CCC1 1063947913 HAVIBNWNGPUTKT-SNVBAGLBSA-N 317.349 -0.291 30 20 DBED N#Cc1cnc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)Cn2ccnc2)cn1 1064270279 KYSRJPROCUOKBS-IFUGULHKSA-N 309.333 -0.062 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@H]1CN(C(=O)c2cnco2)CCO1 1065386646 ZBIGOJJCVYUNMB-ABAIWWIYSA-N 323.349 -0.041 30 20 DBED N#Cc1nccnc1N1CC[C@H]2[C@H]1CCCN2C(=O)CC(N)=O 1066126288 DVDMITDESRWRNO-NEPJUHHUSA-N 314.349 -0.207 30 20 DBED N#Cc1cnc(N2C[C@@H](O)[C@H](CNC(=O)c3ccc[nH]3)C2)cn1 1067657232 YRJAETGJMOEECD-ZWNOBZJWSA-N 312.333 -0.097 30 20 DBED C#CCCCC(=O)N1CC2(CN(C(=O)CC(=O)NC)CCO2)C1 1068386057 CBWVHOQHUYVLHB-UHFFFAOYSA-N 321.377 -0.634 30 20 DBED Cc1ncc(C(=O)N2CC3(C[C@H](NC(=O)[C@H](C)C#N)CO3)C2)[nH]1 1069003768 PLSMCJBQVYPGIN-KOLCDFICSA-N 317.349 -0.023 30 20 DBED C#CCN1CCn2ncc(CNC(=O)c3cnnn3CC)c2C1 1069859739 LDGWKWWSJQBNQB-UHFFFAOYSA-N 313.365 -0.127 30 20 DBED Cn1ncc(C(=O)NCc2c[nH]nc2[C@H]2CCN(CC#N)C2)n1 1070431333 RTKHKBPAJHCCKB-JTQLQIEISA-N 314.353 -0.219 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@H]2CCNC2=O)C[C@H]1c1cn(C)cn1 1070520991 QDMZEIULQILGMV-SGMGOOAPSA-N 315.377 -0.927 30 20 DBED CC#CCN1C[C@H]2C[C@@H]3CN(C(=O)[C@@H]4CCNC4=O)C[C@@]3(C1)O2 1070835473 KXBJWUTYNPCZML-VMUDFCTBSA-N 317.389 -0.553 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)[C@@H]2CC[C@@H]2C(N)=O)CC1 1070984113 UKWJMLDMXQWABO-QWHCGFSZSA-N 322.409 -0.666 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H](NC(=O)CCn2cnnn2)C1 1071229106 HRQQOWDUUDDVJK-WDEREUQCSA-N 305.342 -0.670 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CN(C(=O)c2ccco2)C[C@H]1C 1071489455 XBTFICHGRCWNBS-NEPJUHHUSA-N 317.345 -0.004 30 20 DBED C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1NC(=O)c1cnnn1C 1071660775 BHHWRRALUZDJCX-NXEZZACHSA-N 322.394 -0.351 30 20 DBED C#CCOCCC(=O)N[C@H]1CN(C(=O)CC(=O)NC)C[C@@H]1C 1071976249 YRSWBKPHRBMTRM-RYUDHWBXSA-N 309.366 -0.875 30 20 DBED C#CCOCCC(=O)N1C[C@@H](NC(=O)CN(C)C(C)=O)[C@H](C)C1 1072098339 YGNKKCBOIVGNRN-TZMCWYRMSA-N 323.393 -0.532 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@@H](NC(=O)C(N)=O)C(C)(C)C1 1073478896 BKMMHTHAEMTYMZ-GHMZBOCLSA-N 309.366 -0.747 30 20 DBED C=CCOCC(=O)N1CC[C@@H](NC(=O)CNC(C)=O)[C@H](C)C1 1073657235 ZDKPLAHUTQTCRE-DGCLKSJQSA-N 311.382 -0.322 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(O)CCN(C(=O)[C@@H](C)C#N)CC1 1074704712 HCHGDACUULQXTN-WFASDCNBSA-N 323.393 -0.057 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H](C)CCNC(=O)CNC(=O)CC 1075945220 GTEABUGXSMIGSE-RYUDHWBXSA-N 311.382 -0.438 30 20 DBED C[C@@H](CCNC(=O)c1cc(C#N)c[nH]1)NC(=O)[C@H]1C[C@H]1C(N)=O 1076074369 YLDITVWSIHVXBH-GDPRMGEGSA-N 317.349 -0.368 30 20 DBED C#CCCN1C[C@@H]2CCN(C(=O)C3CC(=O)NC(=O)C3)[C@@H]2C1 1076356134 WWYYRMQAWWAFRF-WCQYABFASA-N 303.362 -0.405 30 20 DBED CC#CCN1C[C@@H]2CCN(C(=O)Cn3nc(C)n(C)c3=O)[C@@H]2C1 1076518872 BATASHJCZUSKBQ-UONOGXRCSA-N 317.393 -0.554 30 20 DBED C=CCOCC(=O)N[C@@H](C)CCNC(=O)[C@@H]1CCC(=O)NC1 1077282637 GXSSCLWODGLKDO-NWDGAFQWSA-N 311.382 -0.274 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CN(CC)CCO2)C1 1078209703 KWDWBZPESZGPOP-JHJVBQTASA-N 317.817 -0.379 30 20 DBED N#CCN[C@@H]1C[C@@H](NC(=O)CN2CCC(=O)NC2=O)C12CCC2 1078774361 WTLAAPSISOJKNY-GHMZBOCLSA-N 319.365 -0.531 30 20 DBED Cn1cc(C(=O)N2C[C@H]3CC[C@H]2[C@@H](NCC#N)C3)ncc1=O 1079000334 LDLMNGXOXJKROU-GVXVVHGQSA-N 301.350 -0.113 30 20 DBED C=CCN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)CN1C(=O)CNC1=O)C2 1079102315 LXFFMITYMCZKDO-IJLUTSLNSA-N 306.366 -0.307 30 20 DBED C=CCOCC(=O)N1CC(N(CC)C(=O)C[C@@H]2CCC(=O)N2)C1 1080078859 FHRKQURTIRNWMC-LBPRGKRZSA-N 323.393 -0.083 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(N(CC)C(=O)c2nc[nH]n2)C1 1080249685 WOAUNDXMMFVALO-SNVBAGLBSA-N 305.338 -0.484 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC(CO)(NC(=O)[C@H](C)C#N)CC1 1080982256 WXYWQZMBWRICAW-CHWSQXEVSA-N 321.377 -0.346 30 20 DBED C#CCCCC(=O)N1C[C@H](CNC(=O)c2cnccn2)[C@@H](O)C1 1081205086 OTCVIEADQNMXAK-JSGCOSHPSA-N 316.361 -0.171 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)Cc2ncc[nH]2)C1 1081693848 XUDYUFYDBFFCBJ-QWHCGFSZSA-N 318.377 -0.453 30 20 DBED C[C@H](NC(N)=O)C(=O)NC[C@@H]1CCCCN1C(=O)C#CC1CC1 1082064636 MLDPDJYQWKVOFW-AAEUAGOBSA-N 320.393 -0.046 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H]1CCCCN1C(=O)c1cnn[nH]1 1082160589 NNHDMYQFMYHDMV-RYUDHWBXSA-N 319.365 -0.046 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@@H]1CCCCN(C)C1=O 1082323584 CSLYYZNBDKACBJ-YNEHKIRRSA-N 308.382 -0.416 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)[C@@H]3CCc4nnnn4CC3)[C@@H]2C1 1084674619 NHSCEIOOFRYRIM-MGPQQGTHSA-N 314.393 -0.209 30 20 DBED C=CCN[C@@H]1CCCC[C@H]1NC(=O)c1cn(CC(N)=O)nn1 1085432044 GCJIIQUWPQXLPL-GHMZBOCLSA-N 306.370 -0.420 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)[C@@H]3CCS(=O)(=O)N3)C[C@@H]2C1 1088204755 MFOBVYNVHIPTMX-AGIUHOORSA-N 311.407 -0.908 30 20 DBED COCC(=O)NC[C@H]1CN(c2ccc(C#N)nn2)CCCO1 1089511887 CQXDHBISQRSISO-LBPRGKRZSA-N 305.338 -0.294 30 20 DBED C#CCN1C[C@H]2[C@H]3CC[C@@H]([C@H]2C1)N(C(=O)Cn1ncnn1)C3 1089814142 DBSQFOPEMQIEPD-XUXIUFHCSA-N 300.366 -0.525 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2ccc3c(c2)nnn3C)[C@@H](O)C1 1090361689 QPCCBOGKSILPRV-DOMZBBRYSA-N 313.361 -0.234 30 20 DBED COC(=O)NCC(=O)N1C[C@@H](N=c2cc[nH]cc2C#N)[C@H](C)C1 1090961996 ZUQISTQJQNUSGB-ZWNOBZJWSA-N 317.349 -0.010 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(c2cc(C)ncn2)C[C@@H]1O 1091150687 VNDHDVQRODGHBJ-OLZOCXBDSA-N 304.350 -0.509 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@@H]1O 1091153163 UKPVUFIMKKRTQY-YUTCNCBUSA-N 314.345 -0.343 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CCN(c2ccc3nnnn3n2)[C@@H]1C 1091944521 CVPSRAGVXOPDQT-AEJSXWLSSA-N 300.326 -0.238 30 20 DBED C=C(Cl)CN1CC2(C[C@H](NC(=O)C(N)=O)c3nccn32)C1 1092390690 DACLQDVGXBCINF-VIFPVBQESA-N 309.757 -0.307 30 20 DBED C#CCNC(=O)CC(=O)N1CCN(c2ccnc(C)n2)CC1 1093148495 LFAARNGTWHYZHI-UHFFFAOYSA-N 301.350 -0.427 30 20 DBED N#CCN1CC(OC2CCN(C(=O)c3nccnc3N)CC2)C1 1093519149 GUUFTYPANSAXDH-UHFFFAOYSA-N 316.365 -0.112 30 20 DBED CC(=O)N1CC[C@@H](C(=O)NCCN=c2cc[nH]c(C#N)n2)C1 1093781613 QZZCVJIIUDQGCR-LLVKDONJSA-N 302.338 -0.833 30 20 DBED CCO[C@@H]1C[C@@H]1C(=O)NCc1cn(C2CN(CC#N)C2)nn1 1094276614 QTWITNGWOWZMJU-QWHCGFSZSA-N 304.354 -0.300 30 20 DBED C=CCN1CCN(C(=O)[C@@H](C)OC)[C@@H]2CS(=O)(=O)C[C@@H]21 1094612798 PDVYFDNMMYIVNN-GRYCIOLGSA-N 302.396 -0.483 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)C3CC(OC)C3)CC2=O)C1 1094750216 YLPWTYZQGGOPKC-MBHSVXNSSA-N 307.394 -0.001 30 20 DBED CNC(=O)NCC(=O)N[C@H]1CCCN(c2ncccc2C#N)C1 1096240052 RSTOCERJERELMB-LBPRGKRZSA-N 316.365 -0.033 30 20 DBED C=CCNCc1cn([C@@H]2CCN(C(=O)[C@H](COC)OC)C2)nn1 1098722141 LJTHXEXCCMDCPJ-KGLIPLIRSA-N 323.397 -0.012 30 20 DBED C=CCNCc1cn([C@@H]2CCN(C(=O)[C@@H]3CCC(=O)N3)C2)nn1 1098769310 ZVHCFLIFGCISQB-OLZOCXBDSA-N 318.381 -0.394 30 20 DBED C#CCCCCC(=O)N[C@@H]1CCN(Cc2nc(O)n[nH]2)C[C@H]1O 1099787721 ZOJBFMFGPYHRNZ-VXGBXAGGSA-N 321.381 -0.245 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CCN(CCN2CCNC2=O)C[C@H]1O 1099824727 YECAEVVXNLPBKJ-ZIAGYGMSSA-N 322.409 -0.778 30 20 DBED CCc1nc[nH]c1C(=O)N[C@H]1CCN(CC#CCOC)C[C@@H]1O 1100092019 JFVJCQRGMZMMFL-KBPBESRZSA-N 320.393 -0.213 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)c2ccn(C)n2)[C@H](O)C1 1100110487 WOCIUBOYHDVWGU-TZMCWYRMSA-N 308.382 -0.212 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CCc2cnn(C)c2)[C@H](O)C1 1100125434 YMHIHYUBCVEHBI-HUUCEWRRSA-N 304.394 -0.073 30 20 DBED C#CCNC(=O)CC(=O)NCC1CC(NCc2nonc2C)C1 1100261885 VOEXSDSLVDURFK-UHFFFAOYSA-N 319.365 -0.498 30 20 DBED CC[C@@H](NC(C)=O)C(=O)NCCN(C)c1cnc(C#N)cn1 1100340059 NKONTAPTLKMPKT-GFCCVEGCSA-N 304.354 -0.185 30 20 DBED C#CCNC(=O)CC(=O)NCCN(CC)c1ncc(F)cn1 1100492873 ULBMHHDXDDLPBQ-UHFFFAOYSA-N 307.329 -0.302 30 20 DBED CCN(CCNC(=O)[C@H]1CNC(=O)N1)c1ccc(C#N)nc1 1100698769 LJBKVABSKZRPFI-GFCCVEGCSA-N 302.338 -0.423 30 20 DBED C[C@H](CC(N)=O)C(=O)NC[C@@H]1CCCN1c1ccnc(C#N)n1 1100886710 OFFAFEYTOWXPKE-MNOVXSKESA-N 316.365 -0.055 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)c2nonc2C)C1 1101069242 JISNEUDIAIKJKK-UHFFFAOYSA-N 305.338 -0.775 30 20 DBED C=CCO[C@H](C)C(=O)N(C)CCNc1nccn2nnnc12 1101668503 TUSSPDLXJLEXCZ-SNVBAGLBSA-N 305.342 -0.019 30 20 DBED C=CCOCC(=O)NCC[C@@H]1CN(Cc2nnn(C)n2)C[C@H]1C 1102774275 BKPVILOHSJVCBU-CHWSQXEVSA-N 322.413 -0.013 30 20 DBED CC[C@H](CNC(=O)CNC(=O)NC)Nc1cnc(C#N)cn1 1103353127 VJIFMUZCLBVRHC-SECBINFHSA-N 305.342 -0.416 30 20 DBED C[C@@H](CNC(=O)[C@H]1COC(=O)N1)CNc1cnc(C#N)cn1 1103943503 KYGGQMRFDNOCHI-PSASIEDQSA-N 304.310 -0.379 30 20 DBED C=CCCC(=O)NC[C@H]1CN(c2nccn3nnnc23)CCO1 1104311719 JSGMCYQQJGHRGF-NSHDSACASA-N 317.353 -0.193 30 20 DBED CC#CCNCc1cn(C2CN(C(=O)Cn3ccnc3)C2)nn1 1105382274 DVNURPNNPGFVTO-UHFFFAOYSA-N 313.365 -0.329 30 20 DBED C=CCN[C@@H]1C[C@]2(C[C@H]1O)CN(C(=O)CNC(N)=O)[C@H]2C(C)C 1105593788 GCYCCYPWOAKJMD-HLSYRSCKSA-N 324.425 -0.193 30 20 DBED CC(=O)N[C@H](C)C(=O)NC[C@H](O)CNc1ncc(C#N)cc1F 1105735375 PWBKXEVRRSWLAL-LDYMZIIASA-N 323.328 -0.494 30 20 DBED Cn1cc(CC(=O)NC[C@@H](O)CNc2cnc(C#N)cn2)cn1 1105782903 RITHSQFWAFQFJM-LBPRGKRZSA-N 315.337 -0.787 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H](O)CNc2nccnc2C#N)c1 1105807099 AEYPCKGTNBZUPQ-SNVBAGLBSA-N 311.305 -0.249 30 20 DBED N#Cc1cnc(NC[C@H](O)CNC(=O)[C@@H]2CCCCO2)cn1 1105819772 LIGFOBZFKHEQIX-RYUDHWBXSA-N 305.338 -0.194 30 20 DBED CCn1ncc(C(=O)NC[C@H](O)CNc2cnc(C#N)cn2)n1 1105822079 IVYQLSXEFPDURJ-SNVBAGLBSA-N 316.325 -0.838 30 20 DBED C=CCO[C@H](C)C(=O)NC[C@@H](O)CNc1nccnc1C#N 1105891301 ALRCYQVNTMDIQU-MNOVXSKESA-N 305.338 -0.172 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H](O)CNc1cc(OCC)ncn1 1105970997 QTERIZKZVRBMOE-NWDGAFQWSA-N 322.365 -0.197 30 20 DBED C[C@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)CO[C@@H]1CCOC1 1106447983 YECDBLNMUNZRMN-VXGBXAGGSA-N 319.365 -0.118 30 20 DBED C#CCO[C@H](C)C(=O)NC/C=C/CNc1nccn2nnnc12 1107347069 YJPVLWCFCZCJMM-SGUJLRQBSA-N 315.337 -0.358 30 20 DBED C=CCOCCN1CCO[C@@](C)(CNC(=O)c2ncn(C)n2)C1 1107920555 VWSNUQQYWRQZCB-HNNXBMFYSA-N 323.397 -0.162 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)c1cnn(C)c1N 1108316498 UPHKXSBELLPVIO-QMMMGPOBSA-N 300.326 -0.684 30 20 DBED CCN1CCO[C@@H](C(=O)N[C@@H](C)CNc2cnc(C#N)cn2)C1 1108396566 SCWFBTMZFIFUSR-WCQYABFASA-N 318.381 -0.014 30 20 DBED CN(C)[C@@H](C(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1)C1CC1 1108552479 MJSFBLYSPDCWDX-SWLSCSKDSA-N 319.409 -0.749 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)[C@H](COC)OC)CC2=O)C1 1108569512 KCNILQFGIKTSGB-AAEUAGOBSA-N 311.382 -0.765 30 20 DBED CC(=O)NCC(=O)N[C@@H](CNc1ccc(C#N)nn1)C1CC1 1109780821 FDRBSWXVKUVVJU-LBPRGKRZSA-N 302.338 -0.209 30 20 DBED C[C@H](NC(N)=O)C(=O)N[C@H](CN=c1cc[nH]c(C#N)n1)C1CC1 1109843315 XVADKXIMAIANLV-WCBMZHEXSA-N 317.353 -0.866 30 20 DBED CN(C)S(=O)(=O)CC(=O)N[C@]12CCC[C@H]1CN(CC#N)C2 1111961030 DWJVDGWHGWREFW-AAEUAGOBSA-N 314.411 -0.628 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)c2ccc(O)nn2)CC1 1112601100 CQNANYQQALPKNV-NSHDSACASA-N 319.365 -0.369 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)[C@]2(C)CNC(=O)C2)CC1 1113137386 VIXUHGBYTAUPHX-WBMJQRKESA-N 322.409 -0.653 30 20 DBED COCC#CCN1CCN(C(=O)C[C@@H]2CCC(=O)N2C)CC1 1113183162 GYVDVZFOMVCQOI-AWEZNQCLSA-N 307.394 -0.209 30 20 DBED CNC(=O)NCC(=O)N[C@@H](C)[C@H](C)Nc1nccnc1C#N 1113349535 FWKGTRQESYFOOR-IUCAKERBSA-N 305.342 -0.418 30 20 DBED C[C@H](CNC(=O)Cn1cnnc1O)N(C)c1ccnc(C#N)n1 1113569141 UCLPZUFYHSUZSB-SECBINFHSA-N 316.325 -0.714 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@H](C)N(C)c1ccc2nnnn2n1 1113582612 LNLMDXPVGFGAEU-HZMBPMFUSA-N 319.369 -0.213 30 20 DBED C[C@@H](CNC(=O)CCCC(N)=O)N(C)c1nccnc1C#N 1113644823 KKDQXXZUXSYTCY-JTQLQIEISA-N 304.354 -0.055 30 20 DBED C[C@H](CNC(=O)[C@@H]1CCC(=O)NC1)N(C)c1cncc(C#N)n1 1113961689 UHSAMSXBWDTKPA-GHMZBOCLSA-N 316.365 -0.185 30 20 DBED C[C@H](C#N)C(=O)NC1[C@@H]2CN(CC(=O)N3CCOCC3)C[C@@H]12 1114067022 LRJABUFLHHFNFZ-IJLUTSLNSA-N 306.366 -0.949 30 20 DBED N#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)C[C@@H]3CCCCO3)[C@H]2C1 1114117477 PSGRFESRFCCJIH-BCUIYNNISA-N 320.393 -0.368 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)C[C@H](C)NC(N)=O)[C@@H]2C1 1114277357 AMYDOKSZONOLPI-QJPTWQEYSA-N 308.382 -0.871 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)CO[C@@H]3CCOC3)[C@H]2C1 1114278598 UJHMGRHFGZYMGC-NYTXWWLZSA-N 308.378 -0.512 30 20 DBED C[C@H](CCCN=c1cc[nH]c(C#N)n1)NC(=O)c1cnn(C)n1 1114961870 HVPZZWRTXZSXSN-SNVBAGLBSA-N 314.353 -0.091 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)CCCCC(N)=O)[C@@H]2C1 1115101099 PFDGDMUGZGOHRD-CHWSQXEVSA-N 307.394 -0.272 30 20 DBED CC#CCN1C[C@H]2[C@H](NC(=O)CNC(=O)c3ccccn3)[C@H]2C1 1115282162 JVGSMVKRFIBPFF-VIKVFOODSA-N 312.373 -0.119 30 20 DBED CNC(=O)CC(=O)NCC1(NCC(=O)NCC#N)CCCCC1 1115499546 YZSOCZGPZHFNJG-UHFFFAOYSA-N 323.397 -0.829 30 20 DBED C=CCS(=O)(=O)NC(=O)C1CCN(S(C)(=O)=O)CC1 1116467659 MAQLJDPBVKRIOP-UHFFFAOYSA-N 310.397 -0.710 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N(CC)[C@H]1CCS(=O)(=O)C1 1117543661 HHRQEVRQEQHKNL-MNOVXSKESA-N 318.395 -0.661 30 20 DBED CN1CCOC[C@H]1C(=O)NC[C@@H](CO)Nc1ncccc1C#N 1121345878 HIWDCXYTAZHVKK-STQMWFEESA-N 319.365 -0.827 30 20 DBED CN(C)CC1(C(=O)NC[C@@H](CO)Nc2ccc(C#N)nn2)CC1 1122508869 UVQFYMVJQUBIBD-LBPRGKRZSA-N 318.381 -0.421 30 20 DBED Cc1cc(C#N)nc(N[C@@H](CO)CNC(=O)[C@@]23COC[C@@H]2C3)n1 1122759463 BRRXSDBPDPPLNW-NVBFEUDRSA-N 317.349 -0.418 30 20 DBED CNC(=O)NCC(=O)N1C[C@@H](N=c2cc[nH]cc2C#N)C[C@H]1C 1123318555 ICJZQWOVDJZUJR-PWSUYJOCSA-N 316.365 -0.295 30 20 DBED C#CCCCC(=O)N(C)C[C@@H](O)CNc1nccn2nnnc12 1124279333 YIWTZZGPMNCKMY-NSHDSACASA-N 317.353 -0.446 30 20 DBED C[C@@H](C#N)C(=O)NCCNCc1nnnn1CC(F)(F)F 1124895438 HKNAMXFELZOLHC-ZETCQYMHSA-N 305.264 -0.399 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)CCc2nc[nH]n2)C1=O 1125409212 LNOXYDUZAUXPCO-LLVKDONJSA-N 306.370 -0.770 30 20 DBED COCCCNC(=O)[C@H](C)NCCNC(=O)c1c[nH]c(C#N)c1 1125977729 FJGUFRJMFLOQQD-NSHDSACASA-N 321.381 -0.253 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCNCC[C@H]1CCS(=O)(=O)C1 1126366579 WXAQZLLWNKADQO-GXTWGEPZSA-N 318.439 -0.156 30 20 DBED C#CCNCc1nnc2n1CC[C@@H](NC(=O)c1ncc[nH]1)CC2 1127983834 CBEQRQQYPSSNTG-NSHDSACASA-N 313.365 -0.141 30 20 DBED C=CCCN[C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1c1cn(C)cn1 1130500414 HTBLTBMHPRRCLM-WCQYABFASA-N 320.397 -0.452 30 20 DBED CC(=O)N(C)CC(=O)N[C@H]1CC[C@@H](C)N(CC(=O)NCC#N)C1 1131830276 PCYLDPXHOAYPHV-YPMHNXCESA-N 323.397 -0.926 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)c2cn(C)nn2)CC[C@@H]1C 1132039079 WRAMDEGAYGQSHI-RYUDHWBXSA-N 320.397 -0.300 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1cccc2c[nH]nc12 1132186259 FLPOXNVDHXFFAJ-UHFFFAOYSA-N 300.322 -0.478 30 20 DBED COCC#CCNC[C@H]1CN(C(=O)CNC(C)=O)CC[C@H]1C 1132602327 DHHDTASXDRGHGI-HIFRSBDPSA-N 309.410 -0.154 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCCNCC(=O)NCC(F)(F)F 1134058412 MSSPULUYFSWVIL-ZJUUUORDSA-N 323.315 -0.038 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)CCc1cn(C)nc1C 1134719533 QVJMJUINZBJQRX-CYBMUJFWSA-N 319.409 -0.495 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)Cc1cnc[nH]1 1135552626 IOWZIFPLWMZTSE-VXGBXAGGSA-N 305.382 -0.426 30 20 DBED CC#CCN[C@H](C)C[C@H](C)NC(=O)c1cn(C)c(=O)nc1O 1146315847 WGBTUVGGNZJQIJ-MNOVXSKESA-N 306.366 -0.004 30 20 DBED C/C=C(/C)C(=O)NC[C@@H]1CN(CC(=O)NCC#N)CCCO1 1149482148 QWHOYDXMKBHYCU-RYHWZFLVSA-N 308.382 -0.201 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)C(C)(C)S(C)(=O)=O)C1 1150410123 IAOCBWHFHKMUFB-GFCCVEGCSA-N 316.423 -0.350 30 20 DBED N#Cc1ccc(F)cc1CNCCNC(=O)CCNC(N)=O 1150423061 CHESOTQLQLTCAY-UHFFFAOYSA-N 307.329 -0.038 30 20 DBED C#CCN1CCC(C(=O)NCCNCCN2CCNC2=O)CC1 1152330936 XWZJILPFOPJAIG-UHFFFAOYSA-N 321.425 -0.937 30 20 DBED COCC#CCNCCNC(=O)C(C)(C)CS(C)(=O)=O 1153058186 LUTALOZTIXJAPQ-UHFFFAOYSA-N 304.412 -0.587 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)Cn1ccnc1C 1156942197 FEZDQCMVVAFALX-GFCCVEGCSA-N 320.397 -0.342 30 20 DBED C#CCNC(=O)CC(=O)N1CCCC[C@@H]1CN(C)[C@@H](C)C(N)=O 1157834775 ASGXDVMHQHCPSP-QWHCGFSZSA-N 322.409 -0.687 30 20 DBED COCC#CCNCCCNC(=O)[C@H](C)N1C(=O)CCC1=O 1159303110 RGQBRQJFENMZTM-LBPRGKRZSA-N 309.366 -0.730 30 20 DBED C=CCNC(=O)CNCCCNC(=O)c1cnc2[nH]nnc2c1 1160031177 UUKLVMNYYVIDEP-UHFFFAOYSA-N 317.353 -0.635 30 20 DBED COCC1(CNC(=O)[C@@H]2COC(=O)N2)CCN(CC#N)CC1 1162242002 LJUVIRKQLTUQJC-NSHDSACASA-N 310.354 -0.537 30 20 DBED CC#CCNCC1(CCNC(=O)Cn2ccc(O)nc2=O)CC1 1166019139 IWFCFLRAMNBDLZ-UHFFFAOYSA-N 318.377 -0.152 30 20 DBED C=CCCNCCCNC(=O)C1(n2cnnn2)CCOCC1 1168044324 RESMRXQJAWEHCF-UHFFFAOYSA-N 308.386 -0.149 30 20 DBED C#CCOc1ncccc1C(=O)NCCCNCC(=O)N(C)C 1171549237 WNHAZQMNDAUOKS-UHFFFAOYSA-N 318.377 -0.109 30 20 DBED C#CCNCCCC[C@H](C)NC(=O)CC[C@@H]1NC(=O)NC1=O 1176487898 XKHZSLGOBBWBKZ-RYUDHWBXSA-N 308.382 -0.128 30 20 DBED C#CCCCCC(=O)N1CC[C@@H](NCC(=O)NC(=O)NC)C1 1182108994 WJOJWOLTCSYNIT-GFCCVEGCSA-N 308.382 -0.174 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)[C@@]2(C)CCNC(=O)C2)C1 1183593402 XLWJRBXGGRDVJS-CJNGLKHVSA-N 307.394 -0.257 30 20 DBED C[C@H]1CCCN1CC(=O)N1CC[C@@H](NCC(=O)NCC#N)C1 1185659875 RLMKHZRZIAFSMO-QWHCGFSZSA-N 307.398 -0.699 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)CCCn2cncn2)C1 1186842731 LPKREPVARBXTET-CYBMUJFWSA-N 320.397 -0.449 30 20 DBED CC#CCN[C@@H]1CCN(C(=O)c2nc(O)nc(O)c2OC)C1 1187069869 USOYFBRYKAAGKD-SECBINFHSA-N 306.322 -0.276 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H]2CCN(C(=O)c3cnon3)[C@@H]2C1 1189492405 QLIPRGJLTXPGSU-GMXVVIOVSA-N 319.365 -0.093 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@H](N(C)Cc2nnn(C)n2)C1 1190093992 GEKNSJXVBXUXGF-NEPJUHHUSA-N 306.370 -0.719 30 20 DBED CC#CCCCC(=O)N1CC[C@@H](N(C)CC(=O)NC(N)=O)C1 1191839712 RHMTVAMVFNOWEL-GFCCVEGCSA-N 308.382 -0.092 30 20 DBED Cc1noc(CCCN2C[C@@H](O)[C@H](NC(=O)[C@@H](C)C#N)C2)n1 1191865253 UGJMRNNUXXWNSA-MVWJERBFSA-N 307.354 -0.368 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2n[nH]c(C)c2C)C1 1191936518 UJRPCICLCWGNCO-VXGBXAGGSA-N 321.381 -0.896 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)Cc2cncc(C)c2)C1 1194996382 BJDBQGDGTDBDLZ-HZPDHXFCSA-N 317.389 -0.256 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCN(C)[C@@H](C)C2)C1 1195594794 VMVIJSNWQVNYIZ-CAOSSQGBSA-N 323.437 -0.472 30 20 DBED CC[C@@H]1CCO[C@@H]1C(=O)N1CCCN(CC(=O)NCC#N)CC1 1196208335 GZLZCONBRXTQSE-HIFRSBDPSA-N 322.409 -0.024 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@H](NC(N)=O)C(C)(C)C)C1 1197812176 HLGWOXDIWOIWCR-UTUOFQBUSA-N 310.398 -0.746 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)CS(=O)(=O)CCC)C1 1198754016 MWSJORAEPFBKGU-VXGBXAGGSA-N 304.412 -0.451 30 20 DBED CC(C)[C@@H](C(=O)N[C@@H]1CN(CC#N)C[C@H]1O)N1CCCC1=O 1199421870 GUZKPRKXSKTPDZ-BZPMIXESSA-N 308.382 -0.682 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)CCNC(=O)CC(C)C)C1 1199472776 CKDWOJYGKUVZAY-ZIAGYGMSSA-N 309.410 -0.277 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)c2cc(C(N)=O)c[nH]2)CCCO1 1201720129 OHYCQXKPBOJSTQ-CYBMUJFWSA-N 318.377 -0.042 30 20 DBED C#CCNC[C@H]1CN(C(=O)[C@H](NC(N)=O)C(C)(C)C)CCCO1 1201871376 JMNQIRUGAZPYGR-STQMWFEESA-N 324.425 -0.090 30 20 DBED C#CCNC(=O)CN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)c1nc[nH]n1)C2 1204806052 QBIICRKDXFEGAF-IJLUTSLNSA-N 316.365 -0.863 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)c2cc(C)nn2C)C1 1207546521 USNABQHLFZNZLH-CYBMUJFWSA-N 317.393 -0.328 30 20 DBED C#CCCN[C@@H]1CCCN(C(=O)[C@@H]2CN(C(C)=O)CCO2)C1 1210891986 CSWNIYBNAQZPSE-CABCVRRESA-N 307.394 -0.162 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)CCCC(N)=O)[C@H](C)C1 1211454584 QLWGZCRYUAQANJ-JHJVBQTASA-N 324.425 -0.231 30 20 DBED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)/C=C(\C)C1CC1 1211952112 VIRJLKISHULIAC-VAZNYKRKSA-N 320.393 -0.202 30 20 DBED COCC#CCN1C[C@@H](NC(=O)c2cccc(O)n2)[C@H](OC)C1 1212078642 NOSKDYPVGKXQMU-ZIAGYGMSSA-N 319.361 -0.134 30 20 DBED COCC#CCN1C[C@@H](NC(=O)c2n[nH]c(C)c2O)[C@H](OC)C1 1212122687 OKEZBPADGQRBPF-VXGBXAGGSA-N 322.365 -0.497 30 20 DBED CO[C@@H]1CN([C@@H](C)c2nnnn2C)C[C@H]1NC(=O)C#CC(C)C 1212241446 RGNABIPCNYYVQU-YNEHKIRRSA-N 320.397 -0.254 30 20 DBED C#CCCCC(=O)N1C[C@@H](N[C@H](C)C(=O)NC(N)=O)[C@H](C)C1 1214527023 DPKNWEIZLOLGRB-IJLUTSLNSA-N 308.382 -0.190 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2cccc(F)c2)C1 1219122761 BBNWHJKZZXRIRS-KGLIPLIRSA-N 319.336 -0.650 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(Cc2cnc(C)nc2)C[C@@H]1O 1219536613 VIUYIBMIGGZGBC-IJEWVQPXSA-N 320.393 -0.227 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)C[C@@H](C)NC(N)=O)C1 1219620915 PYGCDGOTIXMGEW-BBBLOLIVSA-N 304.778 -0.653 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)C2CC3(CC3)C2)C1 1220331308 QKJINLDEYHMQNH-YUTCNCBUSA-N 319.405 -0.524 30 20 DBED CNC(=O)CN1CC[C@@H]2CCN(C(=O)CSCC#N)C[C@@H]21 1222296043 SNEYYRSDECFHQF-NEPJUHHUSA-N 310.423 -0.088 30 20 DBED C#CCN[C@@H]1CCCC[C@H]1NC(=O)COCc1ncnn1C 1229434159 RMAQXQXBXDAITL-CHWSQXEVSA-N 305.382 -0.018 30 20 DBED C#CCN1CCS(=O)(=O)[C@@H](CCNC(=O)C[C@@H](C)OC)C1 1230437216 XEMPHVKCJDDOEK-OLZOCXBDSA-N 316.423 -0.350 30 20 DBED C=C[C@](C)(O)CC(=O)N(C)C[C@@H]1CCN1Cc1nnn(C)n1 1233978093 RAIKQUQESZIQCY-FZMZJTMJSA-N 308.386 -0.430 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C[C@@H]1CCN1Cc1cnnn1C 1234215565 MSVKGEIKDLDQNP-OLZOCXBDSA-N 305.382 -0.114 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)[C@H](C1CC1)N(C)C 1235333276 CARVEVNSLLETPJ-HOCLYGCPSA-N 320.437 -0.391 30 20 DBED C=C(C)CONC(=O)C(=O)Nc1ccn(CC(=O)N(C)C)n1 1261515045 VDSMBAFIMVAMFS-UHFFFAOYSA-N 309.326 -0.466 30 20 DBED CN(Cc1cn(C)nn1)C(=O)C(=O)N1CCC[C@@](C)(C#N)C1 1261615693 VLPOJGILQUPVEP-AWEZNQCLSA-N 304.354 -0.074 30 20 DBED CC[C@H](CCO)NC(=O)NCCN/C(O)=C1\N=CC=CC1=O 1318663905 YZOXTWOSVSSZGF-LRZCVGBLSA-N 310.354 -0.027 30 20 DBED C#CCCCNC(=O)CCc1nc2c(O)nc(=O)n(C)c2[nH]1 1320686347 HIIDYQOKRBLVSN-UHFFFAOYSA-N 303.322 -0.176 30 20 DBED CCN(CCOCCO)C(=O)C(=O)Nc1ccc(C#N)cn1 1324513441 HZRGFUCMGJRSMH-UHFFFAOYSA-N 306.322 -0.251 30 20 DBED Cc1cc(NC(=O)C(=O)NC[C@@]2(C)CCC(=O)N2)ncc1C#N 1327083410 CNEXRDVLDQXECB-OAHLLOKOSA-N 315.333 -0.015 30 20 DBED COCCN1CC[C@@H](NC(=O)C(=O)N2CCC[C@@H](CC#N)C2)C1 1328017946 DFSFHTAGHUUBNO-UONOGXRCSA-N 322.409 -0.024 30 20 DBED Cc1cc(NC(=O)C(=O)NC[C@H](C)C(=O)O)nn1CCC#N 1329111819 BUUHVFBXMFZNNJ-QMMMGPOBSA-N 307.310 -0.119 30 20 DBED CN(CC(=O)NCCC#N)C1CCN(S(C)(=O)=O)CC1 1332548847 IDAVXYBXVGOGJR-UHFFFAOYSA-N 302.400 -0.628 30 20 DBED COCCCNC(=O)[C@@H](C)N1CCN(C[C@H](O)CC#N)CC1 1332632293 ASFSRXNSPMUZRG-ZIAGYGMSSA-N 312.414 -0.580 30 20 DBED C=CCSCCNC(=O)C(=O)N1CC(N2CCCC2=O)C1 1332656065 JLXGXWVXAXBLJZ-UHFFFAOYSA-N 311.407 -0.145 30 20 DBED C#CCOCCNC(=O)C(=O)NCCOC1CCSCC1 1334033792 NRCABKLHLVGQJP-UHFFFAOYSA-N 314.407 -0.219 30 20 DBED CC(C)N1CCC[C@@H](CNC(=O)C(=O)N2CCO[C@H](C#N)C2)C1 1345494773 NIMXGWMAQUXOQK-UONOGXRCSA-N 322.409 -0.026 30 20 DBED C=CCCn1cc(C(=O)NC[C@]2(O)CCS(=O)(=O)C2)nn1 1345619967 WNFBIAIDVWGQMK-GFCCVEGCSA-N 314.367 -0.866 30 20 DBED Cc1cc(NC(=O)C(=O)N[C@@H]2CCN(C)C2)n(CCC#N)n1 1348645559 OUTVDPALEASINI-LLVKDONJSA-N 304.354 -0.136 30 20 DBED N#Cc1cn(CC(=O)N2CCc3n[nH]cc3C2)c(=O)nc1O 1361756761 LZCNOEDLNZOVEF-UHFFFAOYSA-N 300.278 -0.871 30 20 DBED CCCNC(=O)[C@@H](C)NC(=O)CCn1cc(C#N)c(O)nc1=O 1363847393 JAPYCLITZUCACP-SECBINFHSA-N 321.337 -0.758 30 20 DBED CNC(=O)NC(=O)CN(C)C[C@@H](C)NC(=O)c1cc(C#N)c[nH]1 1367799507 WGEWAMGJOHKDNT-SECBINFHSA-N 320.353 -0.608 30 20 DBED CC(=O)N1CCC[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H](C)C#N)C1 1372564118 HSSXOUJTDVPPDU-XYJRDEOASA-N 306.366 -0.080 30 20 DBED N#Cc1ccccc1CN1CCN(C(=O)Cn2ncnn2)CC1 1374078854 WLMDZFBZFVTUBF-UHFFFAOYSA-N 311.349 -0.111 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](NC(=O)Cn1ncnn1)C(C)(C)C 1383297192 QMDKGHHTBLHFOI-NXEZZACHSA-N 307.358 -0.520 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1cnn2c1CCC2 1389092640 IKTKDWVWNXVRAO-VHSXEESVSA-N 305.338 -0.804 30 20 DBED Cc1cc(CCC(=O)NC[C@@H](O)CNC(=O)[C@@H](C)C#N)no1 1389128652 OKDMTVWGLADJBD-JOYOIKCWSA-N 308.338 -0.331 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1C[C@@H](NCc2nnc3n2CCOC3)C1 1397575591 SQOVPZKZBGWKBS-UTUOFQBUSA-N 318.381 -0.048 30 20 DBED CSC[C@H](CCO)NC(=O)Cn1cc(C#N)c(O)nc1=O 1411914690 YQXJTZLKNRFQHL-VIFPVBQESA-N 312.351 -0.949 30 20 DBED N#Cc1c(F)cccc1C(=O)N1CCN(CC(N)=O)C(=O)C1 1412215895 QYKTWAQWPAOGPU-UHFFFAOYSA-N 304.281 -0.533 30 20 DBED COc1c[nH]c(C(=O)N2CC[C@@H](NC(=O)[C@@H](C)C#N)C2)cc1=O 1414558852 SFYIWLJTMMTBQW-VHSXEESVSA-N 318.333 -0.126 30 20 DBED C=C(Cl)CNC[C@@H](O)CNC(=O)CS(=O)(=O)C(C)C 1420210385 DOYLUAJVPDZGGP-SNVBAGLBSA-N 312.819 -0.371 30 20 DBED C=C(Cl)CN1CCOC[C@@H]1CNC(=O)CCNC(N)=O 1424116516 ASFRGFVRCOWLGL-JTQLQIEISA-N 304.778 -0.386 30 20 DBED COC(=O)CNC(=O)CNC(=O)Nc1cc(C#N)ccc1OC 1434688694 YTABULPEYTZCMH-UHFFFAOYSA-N 320.305 -0.022 30 20 DBED Cn1nnc(CNC[C@H](NC(=O)c2cc(C#N)c[nH]2)C2CC2)n1 1445942425 WFFCGVUQPUQQAM-LBPRGKRZSA-N 314.353 -0.292 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H]1CNC(=O)CCN1CCOCC1 1451435962 QMALGZHQWTUZEK-UONOGXRCSA-N 322.409 -0.024 30 20 DBED CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 1453964506 NZXUCUTZHUTGRZ-JOYOIKCWSA-N 317.349 -0.258 30 20 DBED CC(=O)N(C)CC(=O)N1CC[C@H](CN(C)C(=O)[C@@H](C)C#N)C1 1456082477 VGYZRLFCNFYPDT-WCQYABFASA-N 308.382 -0.069 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@H](NC(=O)c2coc(C)n2)C1 1481687746 XZEXQPYPJFUCIN-JQWIXIFHSA-N 304.350 -0.075 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)c2ccnc(O)c2)C1 1490820534 KEFUNBQKDROYRT-LBPRGKRZSA-N 304.350 -0.107 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](C)CNC(=O)C(C)(C)S(C)(=O)=O 1532329512 QFLZNBYQKAODLK-ZJUUUORDSA-N 317.411 -0.162 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1cnn2cc[nH]c12 1533309573 UCBZUIYPYNTALC-DTWKUNHWSA-N 304.310 -0.971 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC[C@H](NC(=O)COCC=C)C1 1566616553 DCCRGKOUJLDIKN-KGLIPLIRSA-N 307.394 -0.093 30 20 DBED C[C@@H](CNC(=O)[C@H](C)C#N)N(C)c1ccnc(-c2nn[nH]n2)n1 1573575692 ALNDRIZZGKPFIQ-BDAKNGLRSA-N 315.341 -0.243 30 20 DBED C[C@@H](CCCN)NC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1575942525 DBJNLZLBPSNJNX-GMXVVIOVSA-N 314.411 -0.306 30 20 DBED CCOC(=O)[C@H](COC)NC(=O)C1CC2(CNC[C@H]2C#N)C1 1578026289 QMIUEJQPHPNXEY-OOLXCHQQSA-N 309.366 -0.180 30 20 DBED C#CCN(CC(=O)O)C(=O)c1cccc(-n2[nH]nnc2=N)c1 1588418860 HHNWSAPELUAKAA-UHFFFAOYSA-N 300.278 -0.765 30 20 DBED C#CCN1CCN(C(=O)CN2CCC[C@H](C)[C@@H]2C(=O)O)CC1 1588429742 BVGOKXCUKRTWFT-DZGCQCFKSA-N 307.394 -0.051 30 20 DBED N#CCNC(=O)CNC(=O)Nc1cccc(-c2nn[nH]n2)n1 1592678448 XJILJFYUWKPXAD-UHFFFAOYSA-N 301.270 -0.977 30 20 DBED N#Cc1cn(C2CN(c3ccnc(C(=O)O)n3)C2)c(=O)nc1O 1601129431 DKWQTIIESUKNDB-UHFFFAOYSA-N 314.261 -0.630 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@H](C(=O)O)C(C)C)CC1 1602701922 CWBBUILYCOAYQC-CYBMUJFWSA-N 309.366 -0.763 30 20 DBED COCCN(CC#N)Cc1cnc2c(-c3nn[nH]n3)cnn2c1 1605095174 ZPLBZOPAXMJMFI-UHFFFAOYSA-N 313.325 -0.119 30 20 DBED N#Cc1nc(NC(=O)/C=C\c2ccncn2)[nH]c1-c1nn[nH]n1 1606354656 NUKJAMKHKOFFIO-UPHRSURJSA-N 308.265 -0.097 30 20 DBED N#Cc1nc(NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)[nH]c1-c1nn[nH]n1 1606355805 POZMMWFAHOTNLJ-KSTBDTDDSA-N 312.293 -0.177 30 20 DBED N#Cc1c[nH]ccc1=NCCNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 1606389572 RNPQZRAKRDPEGN-UHFFFAOYSA-N 323.320 -0.275 30 20 DBED C=CCN1CCN(CCNC(=O)[C@]2(C)CCC(=O)NC2)CC1 1752370509 LDZCBXYRDRQDNK-MRXNPFEDSA-N 308.426 -0.178 30 20 DBED C#CCNC(=O)CN[C@@H](CNC(=O)[C@@H]1CCCCO1)C1CC1 1752454186 IODOAQGPTYADJV-KBPBESRZSA-N 307.394 -0.211 30 20 DBED C#CCNC(=O)CN[C@@H](C)CNC(=O)[C@@H]1CCn2cncc2C1 1752881418 AKEMHCWHSKWREK-QWHCGFSZSA-N 317.393 -0.711 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H](C)CNC(=O)CN1CCCCC1=O 1752884708 GGVNYWRKUKTQMO-QWHCGFSZSA-N 322.409 -0.769 30 20 DBED C#CCNC(=O)CN1CC[C@@H](CNC(=O)[C@H](OC)C2CCC2)C1 1753130131 AAPCJFYTPGDZTI-XJKSGUPXSA-N 321.421 -0.011 30 20 DBED C#Cc1ccccc1CC(=O)N(C)CCNCC(=O)NC(N)=O 1753257474 WVIKAPUJFLUTNZ-UHFFFAOYSA-N 316.361 -0.547 30 20 DBED CC[C@H](CNC(=O)Cn1nc2ccccn2c1=O)NCC#N 1753481175 KSRQPNMQAGPZMG-LLVKDONJSA-N 302.338 -0.496 30 20 DBED C#CCCN[C@@H](CNC(=O)c1cn(CC(N)=O)nn1)C(C)C 1753845769 QLIVBPHINNTPGW-NSHDSACASA-N 306.370 -0.869 30 20 DBED N#CCNC(=O)CNC[C@H](NC(=O)C[C@H]1COC(=O)C1)C1CC1 1754441191 RIMGDRVYTUZQGD-PWSUYJOCSA-N 322.365 -0.936 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC(N(C)C(=O)[C@@H]2CCC(=O)N2)C1 1754584766 NGICWWPRCRGXRK-PWSUYJOCSA-N 308.382 -0.902 30 20 DBED CNC(=O)NC(=O)[C@H](C)NC[C@@H]1CCCN1C(=O)C#CC1CC1 1754610634 PVPIPZYCNXXNQL-AAEUAGOBSA-N 320.393 -0.176 30 20 DBED C=CCOCCN1[C@H]2CC[C@H]1CN(C(=O)[C@H]1CNC(=O)N1)CC2 1754659091 CKVNLXBMKNMWSY-MELADBBJSA-N 322.409 -0.064 30 20 DBED C=CCN1CC[C@](O)(CNC(=O)c2cc(C)c(C(N)=O)cn2)C1 1754759755 OEXUEFWUCIYGMA-INIZCTEOSA-N 318.377 -0.158 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCC[C@H]2CN(CC(=O)NC)C[C@H]21 1754872703 HNVWDDHURGLXFW-WOSRLPQWSA-N 309.410 -0.018 30 20 DBED C=CCn1cc(C(=O)N(C)CCCN(C)[C@@H](C)C(N)=O)nn1 1755045902 MMTDCMTVPMNQRB-NSHDSACASA-N 308.386 -0.268 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)[C@@H]2[C@H]3COC[C@H]32)C[C@@H]1C 1755163172 DPMVQTJAAMGVNX-GRYWWWGRSA-N 319.405 -0.403 30 20 DBED C[C@@H](CNC(=O)c1ccc(S(N)(=O)=O)o1)N(C)CC#N 1755307082 YODPHNKUAZUFKF-QMMMGPOBSA-N 300.340 -0.499 30 20 DBED Cc1nn(CC(=O)N(C)CC[C@@H](NCC#N)C(C)C)c(=O)n1C 1755342518 HCCRMXJRHKQUTM-CYBMUJFWSA-N 322.413 -0.124 30 20 DBED C#CCCN[C@@H](C)[C@H]1CN(C(=O)CS(=O)(=O)CC)CCO1 1755448732 WORKSYXHVUKDMT-QWHCGFSZSA-N 316.423 -0.350 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H]1C[C@H](CNCc2nc(O)n[nH]2)C1 1755471649 YLJCQKODXQDKGK-GMTAPVOTSA-N 307.354 -0.467 30 20 DBED C#Cc1ccc(C(=O)N(C)C[C@@H](O)CNCc2cnon2)cn1 1755793499 FPONIDONWMIFBQ-AWEZNQCLSA-N 315.333 -0.331 30 20 DBED Cc1ccc(NC(=O)C(=O)N(C)C[C@@H](O)CNCC#N)cc1 1755794924 BQDMDGQDJJIEMN-ZDUSSCGKSA-N 304.350 -0.134 30 20 DBED C=C(C)CCNC[C@H](O)CN(C)C(=O)[C@@H]1CCS(=O)(=O)N1 1755795857 LAEDMIOUDLSSBX-RYUDHWBXSA-N 319.427 -0.947 30 20 DBED CC#CCN(C)C[C@@H](O)CN(C)C(=O)[C@H]1CCS(=O)(=O)C1 1755802575 CVUYITQDNIFURF-QWHCGFSZSA-N 316.423 -0.805 30 20 DBED C=CCNC(=O)[C@H](C)NC1CC(N(C)C(=O)c2cnn[nH]2)C1 1755858904 WPWPGGIBKRSUQH-WHXUTIOJSA-N 306.370 -0.312 30 20 DBED CC(C)C#CC(=O)NC[C@H](C)N(C)C(=O)C[C@@H]1CC(=O)NC1=O 1756023920 FAYZCMKWSMGVGG-RYUDHWBXSA-N 321.377 -0.338 30 20 DBED C#CCC1(C(=O)N[C@@H](CO)CNC(=O)[C@@]23COC[C@@H]2C3)CCC1 1756527173 CYNNYLUEDFRNFL-AHIWAGSCSA-N 320.389 -0.190 30 20 DBED CC(C)C#CC(=O)N[C@@H]1C[C@@H](C)N(C(=O)Cn2cnnn2)C1 1756576694 PQGSRDLDTBRMCH-VXGBXAGGSA-N 304.354 -0.562 30 20 DBED CC(C)N(CCN(C)C(=O)c1nnn(C)n1)C(=O)C#CC1CC1 1756694632 QCQBDXZLDYNLSV-UHFFFAOYSA-N 318.381 -0.068 30 20 DBED CC(C)(C)C#CC(=O)N[C@@H]1CN(C(=O)c2ccnnc2)C[C@H]1O 1756995543 AUIGNGKHPBGJSR-CHWSQXEVSA-N 316.361 -0.172 30 20 DBED C#CCCCCC(=O)N[C@@H]1CN(C(=O)Cn2nccn2)C[C@@H]1O 1757166671 HKFVERKRSLMKHC-OLZOCXBDSA-N 319.365 -0.840 30 20 DBED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)CC)C2 1781688952 AUGQVJKIJZSDCD-WOSRLPQWSA-N 308.378 -0.096 30 20 DBED C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C2)C1 1784855598 UYQXQUZVWZWJPG-TWJWRFFLSA-N 304.346 -0.658 30 20 DBED CC(=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C#N)CC3)C[C@@H]21 1786343645 FOFZPMDTGXNYFV-AVGNSLFASA-N 319.361 -0.141 30 20 DBED CC[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CC1)C2 1792862299 RFUGRXJGOTXDRT-YVECIDJPSA-N 321.377 -0.349 30 20 DBED CC[C@@H](NC(N)=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CC#N 1795461292 UXQMEYHCQLJXPJ-WRWGMCAJSA-N 321.381 -0.015 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)N(C)C(C)=O 1796457989 OJIXHTJAPFYHBR-DNVSUFBTSA-N 321.377 -0.924 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C)no1)C2 1800450898 LKMDJXAAFLXXNL-GNXNZQSNSA-N 303.318 -0.181 30 20 DBED O=C(O)C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCCO1 1801922642 BOSZHROZIUBJSN-RNJOBUHISA-N 320.345 -0.108 30 20 DBED CC(C)[C@H](O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC(=O)O 1801986475 IWJXIAOWURNXDV-OXIQGZBJSA-N 322.361 -0.271 30 20 DBED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CC(C)(C)O)CCO2 1835269838 BBUZZXXCYBXPSF-MRXNPFEDSA-N 324.377 -0.763 30 20 DBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1CC(=O)C1)CCO2 1840833950 KRMICOYCQDGJIG-INIZCTEOSA-N 320.345 -0.945 30 20 DBED C=C[C@H](O)C(C)(C)C(=O)N1CC2(CCCN2C(=O)C(O)O)C1 1841235956 XUTMQBKEHIGNHZ-JTQLQIEISA-N 312.366 -0.926 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](C)CN 1847803388 YFCGKGQKJANLGU-XUXIUFHCSA-N 307.394 -0.179 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)CCN1C(=O)CCC1=O 12957476 PALRPVCAZICOLL-UHFFFAOYSA-N 311.294 -0.920 30 20 DBED CS(=O)(=O)NCCNC[C@@H](O)COc1ccc(C#N)cc1 37891252 MAWQYTBGHSSRDL-GFCCVEGCSA-N 313.379 -0.563 30 20 DBED CS(=O)(=O)NCC[C@H]1CCCCN1CC(=O)NCC#N 108854849 BLDCKFFSBAPCKD-LLVKDONJSA-N 302.400 -0.580 30 20 DBED N#Cc1c(CN2CCN3C(=O)C(=O)NC[C@H]3C2)cn2ccccc12 152607635 IYKVDTXNYMWHPC-ZDUSSCGKSA-N 323.356 -0.046 30 20 DBED C/N=C(/NCCN1CCOCC1)N1CCO[C@@H](COC)C1 261650293 AYFOERFXCZHCDH-CYBMUJFWSA-N 300.403 -0.759 30 20 DBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCCS(=O)(=O)NC 280975341 MACVRGHRTJADIS-QWRGUYRKSA-N 305.400 -0.184 30 20 DBED CCN(CC#CCN(CC)[C@@H]1CCNC1=O)[C@@H]1CCNC1=O 284795739 OFMCGWCXOIEPLM-ZIAGYGMSSA-N 306.410 -0.589 30 20 DBED N#CCCN(CCN1CCOCC1)S(=O)(=O)c1ncc[nH]1 314947949 TVOATWRBHPMFQP-UHFFFAOYSA-N 313.383 -0.354 30 20 DBED CN(CCN1CCNCC1)S(=O)(=O)c1cncc(C#N)c1 315349414 PHBXBNPQVHTSDV-UHFFFAOYSA-N 309.395 -0.521 30 20 DBED COCCN1CC[C@@H](/N=C(/O)CN2CCS(=O)(=O)CC2)C1 329266844 GHMWOMGULOPGGE-GFCCVEGCSA-N 319.427 -0.606 30 20 DBED CCS(=O)(=O)C[C@H](C)/N=C(/O)N1CCO[C@@H](C(=O)OC)C1 330756722 HNFFJUNHYYKFRG-VHSXEESVSA-N 322.383 -0.403 30 20 DBED CC[C@@H](N/C(O)=N/CC(F)(F)CO)C(=O)N1CCOCC1 331000927 QKYCDLGHLZMWOO-SECBINFHSA-N 309.313 -0.245 30 20 DBED C=C1CCN(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)CC1 333571185 UDYKATGAZKLLFY-UHFFFAOYSA-N 323.440 -0.540 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)NCc2ccc(F)cn2)CCO1 336889526 ILVSKMCWKGVPRT-LLVKDONJSA-N 300.315 -0.221 30 20 DBED C[C@H](C[S@](C)=O)N(C)S(=O)(=O)N1CCO[C@@H](C#N)C1 336951599 UWUUHLVWKYBZFM-JJQCHNSYSA-N 309.413 -0.846 30 20 DBED C[C@H]1[C@@H](C)N(S(=O)(=O)N2CCO[C@H](C#N)C2)CC[S@@]1=O 337090673 JZSZNWPHOKWQFH-KRQBCVNWSA-N 321.424 -0.703 30 20 DBED C=CCNC(=O)c1ccc(N2CC[C@H](S(N)(=O)=O)C2)nc1 339219433 XEGJRUFPCOSJOR-NSHDSACASA-N 310.379 -0.135 30 20 DBED C=CC[C@H](CO)CNC(=O)C(=O)Nc1nn(C(C)C)cc1C#N 341429617 HTFIKARNZYGCGB-NSHDSACASA-N 319.365 0.575 30 20 DBED C[C@@H]1CN(CC#CCN2CC[S@](=O)[C@H](C)C2)CC[S@]1=O 341868593 HANVFQFEVMKYEF-FQZPYLGXSA-N 316.492 -0.105 30 20 DBED C[C@H]1CS(=O)(=O)C[C@@H]1NS(=O)(=O)c1ccc(C#N)nc1 341937965 ITOJVXLEZXGJCA-KWQFWETISA-N 315.376 -0.335 30 20 DBED CC[C@H](C)[C@@H](NC(=O)N1CCCC1)C(=O)NCC(=O)NCC#N 343511245 WOIWYMAFUHEPCJ-WCQYABFASA-N 323.397 -0.038 30 20 DBED Cn1ncc(C(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)c1C#N 355118418 WKUILRNKNHCXCS-SECBINFHSA-N 311.367 -0.554 30 20 DBED CCN(CCC#N)C(=O)CN1CCC[C@@H](CS(N)(=O)=O)C1 358197034 NCCPIWVODRIPKO-GFCCVEGCSA-N 316.427 -0.251 30 20 DBED N#CCNC(=O)CNC(=O)N[C@@H](CO)c1c(F)cccc1F 358304275 ZOLHRDCIZKZXTR-JTQLQIEISA-N 312.276 -0.063 30 20 DBED CCOC(=O)[C@@](C)(O)CNC(=O)CNc1ccc(C#N)cn1 358381397 JLJKXLOSJUFQEO-AWEZNQCLSA-N 306.322 -0.205 30 20 DBED C=CCSCCNS(=O)(=O)CCNS(=O)(=O)CC 358478295 BEAUMQFGZOLQFQ-UHFFFAOYSA-N 316.470 -0.236 30 20 DBED C=C[C@@H](CO)NC(=O)NCCN1CCN(c2ncccn2)CC1 358523510 RXCWHRZDPVVFIZ-ZDUSSCGKSA-N 320.397 -0.555 30 20 DBED COC(=O)[C@@H]1CN([C@H](C(N)=O)c2ccc(C#N)cc2)CCO1 360287422 UTBNBMCKAIXUTA-STQMWFEESA-N 303.318 -0.042 30 20 DBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1nn[nH]n1 360992902 PRGRKHYZVQKHFI-SSDOTTSWSA-N 321.322 -0.623 30 20 DBED CCN1C(=O)[C@H]2CN([C@H](C)C(=O)N(C)CCC#N)CCN2C1=O 369451929 MFRVBTJTKOUBKB-VXGBXAGGSA-N 321.381 -0.285 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@H]1CCC(=O)N(C)C1=O 425225939 PXSCLIPPVWSTEK-UWVGGRQHSA-N 316.383 -0.550 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)c2ccc(O)nc2)CC1 490874307 MGDPKLFJVBKPAD-GFCCVEGCSA-N 316.361 -0.317 30 20 DBED C#CCNC(=O)CN1CCN(Cc2nnc(C3CC3)o2)CC1 491208882 ADSRJUWZECTFMB-UHFFFAOYSA-N 303.366 -0.186 30 20 DBED C#CCNC(=O)CN1CCN(CC(=O)NC2CCCC2)CC1 491210131 QHONCLDFOJCKHP-UHFFFAOYSA-N 306.410 -0.588 30 20 DBED C#CCN1CCC(C(=O)N[C@H](CCC(=O)OC)C(=O)OC)CC1 491702216 XYYCDKVDRVHRKL-CYBMUJFWSA-N 324.377 -0.057 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)NCCN1CCC(O)CC1 563434706 OPHRIAFZZOGCRN-GFCCVEGCSA-N 318.443 -0.241 30 20 DBED N#C[C@H]1CN(S(=O)(=O)N2CCC[C@@H](CCO)CC2)CCO1 566493139 MIFIOTATOZBMRT-OLZOCXBDSA-N 317.411 -0.060 30 20 DBED N#Cc1ccc(CNC(=O)NCC(=O)N2CCNCC2)cc1F 570697237 AGHJDRZMUITDRT-UHFFFAOYSA-N 319.340 -0.072 30 20 DBED CC(C)N(CCN(C)C)C(=O)C(=O)NC1CCN(CC#N)CC1 588127630 NWHFJZJZEOEREQ-UHFFFAOYSA-N 323.441 -0.111 30 20 DBED CN1C(=O)Cc2cc(NC(=O)NCC(=O)NCC#N)ccc21 588296356 SMVLGDRCJHLZFK-UHFFFAOYSA-N 301.306 -0.033 30 20 DBED C[C@@]1(C2CC2)NC(=O)N(CC(=O)N2CC[C@@](O)(CC#N)C2)C1=O 592840457 VMHCVBQKBVFTIP-GJZGRUSLSA-N 320.349 -0.416 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CC(N2CC[C@@H](O)C2)C1 593651278 BLQUAOCSYRDHMD-WCQYABFASA-N 316.427 -0.536 30 20 DBED CN(CCOCCNc1cc(C#N)cnn1)c1cc(C#N)cnn1 596504109 RUBGMVJGIYSDBP-UHFFFAOYSA-N 324.348 0.575 30 20 DBED CNS(=O)(=O)CCN1CCN(c2nccnc2C#N)C[C@H]1C 598591781 BSORQKPBRCOSCB-LLVKDONJSA-N 324.410 -0.592 30 20 DBED C[C@@H](C[C@H]1CCOC1)NC(=O)C(=O)N1CCN(CCC#N)CC1 602249762 BISWJRWTXASWMH-UONOGXRCSA-N 322.409 -0.024 30 20 DBED C=CCOCCCNC(=O)NCCNS(=O)(=O)NC(C)C 661082720 PHTXLVRVQVGFRW-UHFFFAOYSA-N 322.431 -0.289 30 20 DBED C=CCNC(=O)COC(=O)Cc1ccc(S(N)(=O)=O)cc1 728370263 XXZUHVAWYXDNMV-UHFFFAOYSA-N 312.347 -0.278 30 20 DBED Cc1ccc2ncc(C(=O)OCC(=O)NCC#N)c(=O)n2c1 731240997 PSYLEKIMTBVWFJ-UHFFFAOYSA-N 300.274 -0.201 30 20 DBED CC1(C)NC(=O)N(CCCn2ccc(C=NO)nc2=O)C1=O 758423267 YRHPAELJYXEWHL-UHFFFAOYSA-N 307.310 -0.228 30 20 DBED C#CCNS(=O)(=O)N1CCN(Cc2nccn2CC)CC1 761038790 YZCACHIJRGNFDE-UHFFFAOYSA-N 311.411 -0.512 30 20 DBED COC(=O)c1cn([C@@H]2CCCN(CC(=O)NCCC#N)C2)nn1 762625014 SFLUGZTUURAQDC-LLVKDONJSA-N 320.353 -0.269 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCOC[C@@H]1C[C@@H](C)O)[C@H]1CCCO1 774247598 AJOKTYDGENAOOH-ZOBORPQBSA-N 324.377 -0.718 30 20 DBED CC[C@H](C#N)OC(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1 786200062 IXMPRYVLJVUSLR-SSDOTTSWSA-N 315.307 -0.498 30 20 DBED CCCN(CCO)C(=O)C(=O)NCCNc1ncccc1C#N 787775092 AEZLQFCFAWQUTB-UHFFFAOYSA-N 319.365 -0.288 30 20 DBED COC[C@](C)(O)C(=O)N1CCN(c2ccc(C#N)nc2)CC1 801287286 QJTKULARRYMZTI-HNNXBMFYSA-N 304.350 -0.001 30 20 DBED C#CCCCS(=O)(=O)N1CCN(C(C)(C)C(N)=O)CC1 805024465 HDQHBJOYQPXHNM-UHFFFAOYSA-N 301.412 -0.389 30 20 DBED C#C[C@@H](NC(=O)C(=O)N1CCC(O)(COC)CC1)[C@H]1CCCO1 809311836 WJEMDPYMBDNYLJ-CHWSQXEVSA-N 324.377 -0.717 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1cc2n(n1)CCO2 811351459 PEZAZCOLLJMKPD-MRVPVSSYSA-N 308.294 -0.167 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CC(=O)N(C)C[C@H]1C 814180287 FQFWNPDFXLMPTH-BZPMIXESSA-N 323.393 -0.227 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCN([C@@H](C)C(=O)NC2CC2)CC1 822303696 ZVXMANKFEAQAPS-STQMWFEESA-N 307.394 -0.164 30 20 DBED N#Cc1ccc2c(c1)NC(=O)C2=NN[C@H]1CCS(=O)(=O)C1 844561975 CMOMGRBYRVUMFH-VIFPVBQESA-N 304.331 -0.009 30 20 DBED C/N=C(/NCCN1CCOCC1)NC[C@@H]1CCOC[C@H]1OC 849036780 XOZXSLGZWYNLAJ-UONOGXRCSA-N 314.430 -0.465 30 20 DBED C#C[C@@H](NC(=O)NCc1nc(O)cc(CN)n1)[C@@H]1CCCO1 851658515 CTEBCHOZMRHYBA-MNOVXSKESA-N 305.338 -0.379 30 20 DBED CCCn1cc(C=NN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C=C[C@H]3O2)nn1 872428223 VNJFAOSKPRTHKK-DDHJBXDOSA-N 301.306 -0.040 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N(C[C@H](C)O)[C@@H](C)CO 875595872 FWPGXAZNXFFHDC-RWMBFGLXSA-N 314.382 -0.879 30 20 DBED C#CCCN1CCN(C(=O)C[C@]2(C)CCS(=O)(=O)N2)CC1 931344232 FTXXZECOZKYDIO-AWEZNQCLSA-N 313.423 -0.374 30 20 DBED CN(C(=O)c1cnn(C)n1)[C@H]1CCN(C(=O)C#CC2CC2)C1 937350308 SNIAKIJXLNLDKY-LBPRGKRZSA-N 301.350 -0.099 30 20 DBED Cn1oc(C(=O)N[C@@H]2CCN(C(=O)C#CC3CC3)C2)cc1=O 940188302 XCKYRGCUVXOSPZ-LLVKDONJSA-N 303.318 -0.278 30 20 DBED O=C1NCCC[C@@H]1C(=O)N[C@@H]1CCN(C(=O)C#CC2CC2)C1 941012331 QTIYJRHTUUNVJD-OLZOCXBDSA-N 303.362 -0.357 30 20 DBED CO[C@H](C)C(=O)N1CCO[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 944535282 QRFHRRWEPOKFPX-PWSUYJOCSA-N 320.349 -0.122 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CN(C(=O)COC)CCO1 944783330 KIBDAFUDLVGQIP-XQQFMLRXSA-N 312.366 -0.433 30 20 DBED O=C1NCC[C@H]1C(=O)NC1CCN(C(=O)C#CC2CC2)CC1 946687238 UJWHCCLJBQRUFM-CYBMUJFWSA-N 303.362 -0.357 30 20 DBED CCN1CCO[C@@H](C(=O)NC[C@@H]2CCN2C(=O)C#CC2CC2)C1 950271408 LZJMCSJTBVTIHO-LSDHHAIUSA-N 319.405 -0.162 30 20 DBED COc1c[nH]c(C(=O)NC[C@H]2CCN2C(=O)[C@@H](C)C#N)cc1=O 951079572 APFYKEAKUCZQRQ-VHSXEESVSA-N 318.333 -0.126 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H](NC(=O)c2nnc(O)nc2O)C1 951868294 RVTRIURZPZBRPG-HTQZYQBOSA-N 320.309 -0.837 30 20 DBED C=CCCN1C[C@@H](O)[C@@H](CNC(=O)c2cn(CCOC)nn2)C1 958061420 BHBCLFWYDVMSNS-GXTWGEPZSA-N 323.397 -0.477 30 20 DBED N#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cnc3[nH]c(O)nc3c2)C1 958195909 MIFZOQGPVPYOKR-GXSJLCMTSA-N 316.321 -0.790 30 20 DBED C=C(C)CN1C[C@H](CNC(=O)c2cn(C)ccc2=O)[C@@H](O)C1 958248896 QBLVKLNLPFWICM-WFASDCNBSA-N 305.378 -0.016 30 20 DBED CN(C)Cc1ccoc1C(=O)NC[C@@H]1CN(CC#N)C[C@H]1O 958345693 QJXAWTDJGZLYDH-CHWSQXEVSA-N 306.366 -0.113 30 20 DBED CN(C)c1ccc(C(=O)NC[C@H]2CN(CC#N)C[C@@H]2O)nc1 958731752 JDBDSWMSVUSGCI-FZMZJTMJSA-N 303.366 -0.306 30 20 DBED Cc1c[nH]nc1C(=O)N1CCO[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]21 960360297 OBGDUZWYNSSWIA-ZMLRMANQSA-N 317.349 -0.070 30 20 DBED C#CCCN1C[C@@H]2C(NC(=O)Cn3nnnc3C(C)C)[C@H]2C1 961988606 WCPOKJNCLHCBIK-RYUDHWBXSA-N 302.382 -0.134 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)c3cocn3)C[C@@H]2O)[nH]1 962328792 KSHHESFNNFVBJZ-PWSUYJOCSA-N 315.289 -0.510 30 20 DBED N#Cc1ccc(C(=O)N2CCC[C@H]3[C@@H]2CCN3C(=O)C(N)=O)[nH]1 962931835 MSFZMZXWCNNUKO-RYUDHWBXSA-N 315.333 -0.423 30 20 DBED O=C(C#CC1CC1)N1CC2(C1)CN(C(=O)c1ncc[nH]1)CCO2 965377846 VCXDZGBMMJFLCE-UHFFFAOYSA-N 314.345 -0.124 30 20 DBED C#CCNC1CC2(C1)CC(NC(=O)Cn1nc(C)n(C)c1=O)C2 965889935 WYJYLYJVILOFEP-UHFFFAOYSA-N 317.393 -0.460 30 20 DBED C=C1CCC(C(=O)N[C@@H]2CN(C(=O)CC(N)=O)C[C@@H]2O)CC1 970323016 OIGCQZYUKHFOGX-NEPJUHHUSA-N 309.366 -0.704 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)c1 970409520 RCGZLFGPLCLKRE-HONMWMINSA-N 312.329 -0.476 30 20 DBED C=CCn1cc(C(=O)N[C@@H](C)C2CN([C@H](C)C(N)=O)C2)nn1 970544702 QCVAFBQWTRQACM-VHSXEESVSA-N 306.370 -0.612 30 20 DBED C#Cc1ccc(C(=O)N[C@@H](C)C2CN([C@H](C)C(N)=O)C2)nc1 970763027 IJRCXCKOOFZBBL-WDEREUQCSA-N 300.362 -0.013 30 20 DBED COc1cc(C(=O)N2CC[C@]3(CN(CC#N)CCO3)C2)ncn1 972381263 ODHRCKXSJJMTDH-HNNXBMFYSA-N 317.349 -0.074 30 20 DBED N#CCN1CCO[C@]2(CCN(C(=O)CN3CCCNC3=O)C2)C1 972449771 OJXFTDBGEXZMOO-OAHLLOKOSA-N 321.381 -0.771 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)c3cn(C)c(O)n3)C2)C1 972532161 PDHHTBRLRNWRFQ-HNNXBMFYSA-N 304.350 -0.324 30 20 DBED Cn1nnc2c1C[C@H](C(=O)NCC1[C@@H]3CN(CC#N)C[C@@H]13)CC2 978649150 FJQYMIBVMVYNNZ-WXHSDQCUSA-N 314.393 -0.262 30 20 DBED C#CCN1C[C@H]2[C@H](CNC(=O)[C@H]3CCc4nnn(C)c4C3)[C@H]2C1 978663324 YFJRZOSKSRCQSY-XDQVBPFNSA-N 313.405 -0.153 30 20 DBED C=CCN[C@H]1CCC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 981097183 AHBHNCXDXYFCFH-QWRGUYRKSA-N 306.370 -0.420 30 20 DBED C=CCCn1cc(C(=O)N2CC[C@@H](NC(C)=O)[C@@H](O)C2)nn1 991176339 WAKWNHKNCVENNH-YPMHNXCESA-N 307.354 -0.434 30 20 DBED O=C(Cn1ccnc1)N[C@H]1CCN(C(=O)C#CC2CC2)C[C@H]1O 991561294 CMBSYSFPCOMBIG-UONOGXRCSA-N 316.361 -0.626 30 20 DBED C#Cc1cncc(C(=O)N2CC(NC(=O)Cn3nccn3)C2)c1 991950164 WQANPYWIQKZHSJ-UHFFFAOYSA-N 310.317 -0.705 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NC1CN(C(=O)c2cnn(C)n2)C1 992066027 BPUIZRXQEJAYKZ-YPMHNXCESA-N 319.365 -0.263 30 20 DBED C=CCN[C@@H]1CCC[C@@H]2CN(C(=O)CN3CCNC(=O)C3)C[C@@H]21 992779906 RLLZSLTUDFWHPY-QLFBSQMISA-N 320.437 -0.179 30 20 DBED C#CCN1CCC[C@H](NC(=O)Cn2ccc(O)nc2=O)[C@H]1C 993575536 WKOSSPLRCOBWAU-NEPJUHHUSA-N 304.350 -0.449 30 20 DBED COc1c(C(=O)NC2CN(C(=O)C#CC3CC3)C2)cnn1C 997262367 AMXSPKXCJSIRBP-UHFFFAOYSA-N 302.334 -0.217 30 20 DBED C#CCNC1CC(N(C)C(=O)[C@H]2CCc3nnnn3CC2)C1 999436183 FQRGDQVAJQUNQD-HIFPTAJRSA-N 302.382 -0.162 30 20 DBED C=C(C)C(C)(C)C(=O)N1CC(NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 999809460 UWLWJWUQAMURCQ-NWDGAFQWSA-N 323.393 -0.051 30 20 DBED N#CCN1CCC[C@H](NC(=O)C2CC3(C2)NC(=O)NC3=O)C1 1008842948 BMAXWHXFWDSZQT-XIRUVYRFSA-N 305.338 -0.921 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2ccc(-n3cnnn3)cn2)C1 1015382790 RTQKAQLMJIZOAV-GFCCVEGCSA-N 311.349 -0.115 30 20 DBED CC#CCN1CC[C@@H](NC(=O)Cn2ncn3nccc3c2=O)C1 1015788082 BAYIZLUJPSJONG-GFCCVEGCSA-N 314.349 -0.895 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(C1)CN(C(=O)[C@H]1CCC(=O)N1C)C2 1019313693 GVJJKPHXYIFCSL-NWDGAFQWSA-N 318.377 -0.172 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)c3cn(C)nn3)C[C@H]2O)C1 1025524890 ULXWANFYVUSFTA-ZYHUDNBSSA-N 319.365 -0.527 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@]2(C)CCNC2=O)C1 1025676842 QBGQQVIWOVWJGJ-GLKRBJQHSA-N 323.393 -0.587 30 20 DBED N#CCN[C@@H]1CC[C@H]2CN(C(=O)Cn3c(O)nnc3O)C[C@@H]21 1026406978 IICFXZMHSFSTDM-LPEHRKFASA-N 306.326 -0.961 30 20 DBED COCCN1C[C@H](C(=O)NC[C@@H]2CCN(CC#N)C2)CC1=O 1028578800 VDTUOTIYNOARRN-QWHCGFSZSA-N 308.382 -0.557 30 20 DBED C[C@H](C#N)C(=O)N1CCC([C@@H](C)NCc2nc(=O)n(C)[nH]2)CC1 1029068631 JHLWFMKZIGBMIS-GHMZBOCLSA-N 320.397 -0.015 30 20 DBED C=CCn1cc(C(=O)NC2CN(CCN3CCCC3=O)C2)nn1 1031069647 UCVUAJDUXBCDPX-UHFFFAOYSA-N 318.381 -0.500 30 20 DBED N#CCN1C[C@@H]2C[C@H]1CN2C(=O)CC[C@H]1CC[C@@H](C(N)=O)O1 1032526003 KZMHTCKLQYSDSJ-RVMXOQNASA-N 306.366 -0.392 30 20 DBED C#CCN1CCO[C@H](CNC(=O)c2cc(CN(C)C)on2)C1 1035425127 UTERWTZIFLAMKF-CYBMUJFWSA-N 306.366 -0.200 30 20 DBED CN(C)C(=O)CN1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1ccc(C#N)[nH]1 1037366202 VNGBEMUTOVIUEK-LJWDBELGSA-N 301.350 -0.223 30 20 DBED CC#CCN1CC[C@H]1CNC(=O)c1ccc(S(N)(=O)=O)o1 1038449803 GBTMYITXPQSOFQ-JTQLQIEISA-N 311.363 -0.246 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCN1Cc1nc(O)n[nH]1 1038714038 ISGFHYBCFBCWIX-MXWKQRLJSA-N 307.354 -0.208 30 20 DBED CCn1nccc1C(=O)N1CC[C@@](O)(CNC(=O)[C@@H](C)C#N)C1 1040764764 YSZJONLLVYIAPK-XHDPSFHLSA-N 319.365 -0.244 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)CCn2cccn2)C1 1041539985 KURSAMIXJAJVBN-UHFFFAOYSA-N 318.377 -0.234 30 20 DBED CO[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2cc(C#N)c[nH]2)C1 1041753703 DZJYPCFVMUHDHB-VIFPVBQESA-N 306.322 -0.776 30 20 DBED C[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1NC(=O)c1nccnc1N 1041804917 GUWPCHCHZLWNHM-MWLCHTKSSA-N 324.348 -0.025 30 20 DBED CC(=O)N1CCOC[C@@H]1C(=O)N1CC[C@@]2(CCN(CC#N)C2)C1 1041839753 POVCJGZLOTVIHN-GDBMZVCRSA-N 320.393 -0.318 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)[C@H]2CCO[C@@H]2C)C1 1042047035 GLURAXXNRZNNCF-NEPJUHHUSA-N 312.366 -0.697 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)[C@H]2CCCN2C)C1 1042097749 JHQUNPJZJJGRAX-CYBMUJFWSA-N 307.394 -0.571 30 20 DBED C#CCCN1CC[C@@H]2CCN(C(=O)Cn3c(O)nnc3O)C[C@H]21 1042333137 ZLGPARZWNJMDJI-VXGBXAGGSA-N 319.365 -0.365 30 20 DBED Cc1nn[nH]c1C(=O)N1CC(O)(CNC(=O)C#CC(C)(C)C)C1 1042970271 ITICCFBHGLRXGA-UHFFFAOYSA-N 319.365 -0.534 30 20 DBED C=C(C)CCC(=O)NCC1(O)CN(C(=O)CNC(=O)OC)C1 1043312908 ZGHHRZDHWXEFDA-UHFFFAOYSA-N 313.354 -0.612 30 20 DBED C=CCCOCC(=O)NCC1(O)CN(C(=O)c2cocn2)C1 1043565531 OFYZYYGSBGPGFM-UHFFFAOYSA-N 309.322 -0.430 30 20 DBED CO[C@@H](C(=O)N1CC(O)(CNC(=O)[C@H](C)C#N)C1)C1CCC1 1045560327 UULADZUEZFCHEQ-ZYHUDNBSSA-N 309.366 -0.349 30 20 DBED C=C(C)CCN1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CC(=O)NC2=O)C1 1047650087 PYEHOMHNNJISBI-AGIUHOORSA-N 323.393 -0.491 30 20 DBED C=C(C)CCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CC(=O)NC)C1 1048734134 WZUMYQWTVUBQCM-RYUDHWBXSA-N 311.382 -0.491 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)[C@H]1CN(C(=O)COCC=C)C[C@@H]1O 1048853092 XXIVIHFTPKXUSC-IHRRRGAJSA-N 324.377 -0.743 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)CC(N)=O)C1 1049169434 ZMFWATHNOKTLFT-AVGNSLFASA-N 323.393 -0.669 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)[C@H]1C[C@H](OC)CN1C(C)=O 1051045434 ZWCCBCGNFNPCBY-QLFBSQMISA-N 323.393 -0.928 30 20 DBED Cn1nnc2c1C[C@H](C(=O)NC[C@H]1COCCN1CC#N)CC2 1051088999 ZQZAUEFTYRJANX-NEPJUHHUSA-N 318.381 -0.739 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@@H]1C 1052971489 BPPZTAOVXNIOJH-NWDGAFQWSA-N 321.381 -0.158 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)c1n[nH]c(C)c1O)CCO2 1053226551 YUWXXRMDGXZSGN-UHFFFAOYSA-N 304.350 -0.026 30 20 DBED C=CCN1CC2(C[C@H](NC(=O)Cc3cn(CC)nn3)CO2)C1 1053878259 GAMIIDQQOQMQGY-ZDUSSCGKSA-N 305.382 -0.014 30 20 DBED COc1ncc(C(=O)N[C@H]2COC3(C2)CN(CC#N)C3)cn1 1053972427 FDWLMNNAHKUXDQ-LLVKDONJSA-N 303.322 -0.418 30 20 DBED COC(=O)[C@H]1C[C@H]1C(=O)N1CCN(c2nccnc2C#N)CC1 1055735081 JAZWZXKILGWNKV-MNOVXSKESA-N 315.333 -0.194 30 20 DBED CCn1cc(C(=O)NC2[C@H]3CN(c4ccnc(C#N)n4)C[C@H]23)nn1 1056283272 PDVVDUGSVHTZEE-UWVGGRQHSA-N 324.348 -0.176 30 20 DBED N#Cc1nccc(N2C[C@H]3[C@H](NC(=O)c4c[nH]c(=O)cn4)[C@H]3C2)n1 1056391163 YYSOYJKLPPHWFY-QRJZZWFUSA-N 323.316 -0.704 30 20 DBED CNC(=O)NCC(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)[C@H](C)C#N 1056439901 NXGHGYBELYONTP-IJLUTSLNSA-N 321.381 -0.333 30 20 DBED CN(c1cnc(C#N)cn1)[C@H]1CCN(C(=O)c2cn(C)nn2)C1 1056916992 LSJMCGAGYSNHOH-NSHDSACASA-N 312.337 -0.172 30 20 DBED CN(c1nccnc1C#N)[C@@H]1CCN(C(=O)c2cnn(C)n2)C1 1056939626 ZXPBNBKQNFQULX-SNVBAGLBSA-N 312.337 -0.172 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)COCCOC 1057220127 ZQHXRWRNUAYUFW-UHFFFAOYSA-N 314.382 -0.610 30 20 DBED O=C(C#CC1CC1)NCCN(CCO)C(=O)C[C@@H]1CCOC1 1057250487 HYLOZKJODDGIOW-AWEZNQCLSA-N 308.378 -0.237 30 20 DBED Cc1[nH]nc(C(=O)N(CCO)CCNC(=O)C#CC(C)C)c1O 1057353661 BOFHDDWJTIBPOT-UHFFFAOYSA-N 322.365 -0.366 30 20 DBED C=CC(C)(C)C(=O)NCCN(CCO)C(=O)c1cn(C)nn1 1057495626 PFNZTNNNNQPCAB-UHFFFAOYSA-N 309.370 -0.422 30 20 DBED O=C(CC1(O)CCC1)NCCN(CCO)C(=O)C#CC1CC1 1057531373 LUQABOBJXWLKCQ-UHFFFAOYSA-N 308.378 -0.358 30 20 DBED O=C(C#CC1CC1)NCCN(CCO)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1057543344 DLTCULYQFHBCHO-VXGBXAGGSA-N 309.322 -0.998 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)[C@@H](C)CCOC 1057665674 WZVYCBFNPYVITR-ZDUSSCGKSA-N 316.398 -0.201 30 20 DBED C=C(C)CCC(=O)N(CCO)CCNC(=O)c1cnn(C)c1N 1057804310 BOMORARXPVFWKJ-UHFFFAOYSA-N 323.397 -0.091 30 20 DBED C#CCC1(C(=O)N(CCO)CCNC(=O)c2nc[nH]n2)CCC1 1057821714 PXAUZUFFBSGWSV-UHFFFAOYSA-N 319.365 -0.451 30 20 DBED C[C@@]1(C(=O)N[C@H]2CCN(c3nccnc3C#N)C2)CCC(=O)N1 1058536052 ANAFQBDKRGENAV-BONVTDFDSA-N 314.349 -0.288 30 20 DBED CCN(C)CCC(=O)N(CCO)CCNC(=O)C#CC1CC1 1058815373 XISHOOZCNVITIN-UHFFFAOYSA-N 309.410 -0.321 30 20 DBED N#Cc1nccnc1N1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnn[nH]1 1058815749 PXEISXAVRSOAQH-AOOOYVTPSA-N 310.321 -0.040 30 20 DBED C#CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)[C@H]1CC12CC2 1058942495 DBDYDVIUUSMUTK-QWHCGFSZSA-N 308.378 -0.238 30 20 DBED CN1CCO[C@H](C(=O)N[C@H]2C[C@H](N=c3cc[nH]c(C#N)n3)C2)C1 1059170621 JGXGVBDGFVOPJF-SRVKXCTJSA-N 316.365 -0.840 30 20 DBED N#Cc1cnc(N[C@H]2C[C@H](NC(=O)[C@@H]3CCNC3=O)C2)cn1 1059364619 AITSDYAHMSSBOA-FXPVBKGRSA-N 300.322 -0.457 30 20 DBED N#Cc1nccnc1N1CC[C@H]2[C@H](CCCN2C(=O)C(N)=O)C1 1059540752 YBBAEGXRNAJZIL-PWSUYJOCSA-N 314.349 -0.349 30 20 DBED C[C@H](C(=O)N[C@H]1C[C@@H](N=c2cc[nH]c(C#N)n2)C1)n1cncn1 1059597291 VXBSGJOFJCDLEC-MXWKQRLJSA-N 312.337 -0.318 30 20 DBED C#CCNC(=O)CC(=O)N1CCOC[C@H]1CNC(=O)C=C(C)C 1061247888 KTUNSSADNUCMQC-CYBMUJFWSA-N 321.377 -0.564 30 20 DBED C=CCOCC(=O)NC[C@H]1COCCN1C(=O)[C@H]1CCCO1 1061421023 HJXBBEWFTOSSRJ-QWHCGFSZSA-N 312.366 -0.288 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)C1CCN(C)CC1 1061847484 LHAVSPDWXQGVMP-JSGCOSHPSA-N 322.409 -0.169 30 20 DBED N#Cc1cnc(N2CC[C@@H]3CN(C(=O)CC(N)=O)CC[C@@H]32)cn1 1063998341 AZVLMTIVOPWNIT-PWSUYJOCSA-N 314.349 -0.349 30 20 DBED Cc1cc(C#N)nc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)c2cnnn2C)n1 1064250721 JPGZVFJVIQANFC-SUZMYJTESA-N 324.348 -0.208 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)CN2CCOCC2=O)CCC1 1064310293 IOSCQBGIPCIZHS-NSHDSACASA-N 322.365 -0.840 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)CC(=O)NCC)CCO1 1065067929 TUUQLYDYAYXXAF-GFCCVEGCSA-N 311.382 -0.178 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CN(C(=O)Cc2ccnn2C)CCO1 1065093127 RLUAVWVCDWNEKH-YPMHNXCESA-N 319.365 -0.534 30 20 DBED Cc1cn(C)nc1C(=O)N1CCO[C@H](CNC(=O)[C@H](C)C#N)C1 1065138016 HOYRDPYVVINERA-ZYHUDNBSSA-N 319.365 -0.155 30 20 DBED C=CC(C)(C)C(=O)N1CCO[C@@H](CNC(=O)CC(=O)NC)C1 1065419294 ACHWFDSWWUILOO-NSHDSACASA-N 311.382 -0.322 30 20 DBED COCC1(C(=O)NC[C@@H]2CN(C(=O)[C@H](C)C#N)CCO2)CC1 1065562431 ZJUIMMSXEAYEGI-VXGBXAGGSA-N 309.366 -0.084 30 20 DBED C=CCOCC(=O)N[C@@H]1CCCN(C(=O)[C@H]2CNC(=O)N2)CC1 1065988003 WHXBKBWRWUTPHN-VXGBXAGGSA-N 324.381 -0.632 30 20 DBED N#Cc1cncc(N2C[C@H]3[C@H](CNC(=O)c4cnn[nH]4)[C@H]3C2)n1 1068209519 GJJIOIXWATVEPW-RTCCRHLQSA-N 310.321 -0.421 30 20 DBED C=C[C@@](C)(CC)C(=O)N1CC2(CC[C@H](CNC(=O)C(N)=O)O2)C1 1068620768 RGPUHXFAXKMYLC-ABAIWWIYSA-N 323.393 -0.050 30 20 DBED C[C@@H]1[C@@H](N=c2cc[nH]cc2C#N)CCN1C(=O)c1nnn(C)n1 1068928801 ROXMTARWEWDEQC-KOLCDFICSA-N 312.337 -0.386 30 20 DBED CCn1cc(C(=O)N2C[C@H](n3ccnn3)[C@H](NCC#N)C2)nn1 1070304129 LWMQESSTXWDGHZ-PWSUYJOCSA-N 315.341 -0.932 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC[C@@H](NC(=O)c2cnnn2C)C1 1070726532 BXEZAPZBXAKFLH-VXGBXAGGSA-N 319.365 -0.426 30 20 DBED CN1C(=O)CC[C@H]1C(=O)N1C[C@H]2C[C@@H]3CN(CC#N)C[C@]2(C1)O3 1070836307 SMUHRSPQHOBUNG-NFFDBFGFSA-N 318.377 -0.568 30 20 DBED N#CCN1CCNC(=O)CCN(C(=O)C2=COCCC2)CC1 1070946018 MKKZMRAEBZANTQ-UHFFFAOYSA-N 306.366 -0.145 30 20 DBED C=CCCN1CC[C@@]2(C1)CN(C(=O)Cn1ncnn1)C[C@H](C)O2 1071169858 XTIHJZVIDVDJTG-DZGCQCFKSA-N 320.397 -0.059 30 20 DBED C[C@@H]1CN(C(=O)CSCC#N)C[C@@H]1NC(=O)Cn1nccn1 1071661220 HJPIJEIGAVCXFL-MNOVXSKESA-N 322.394 -0.502 30 20 DBED Cc1nn(CC(=O)N[C@H]2CC[C@@H](C)N(CC#N)C2)c(=O)n1C 1072033112 KGECWOMSQNUNJF-PWSUYJOCSA-N 306.370 -0.617 30 20 DBED N#CCN1CCO[C@@H]2CCN(C(=O)c3ccc(O)nn3)C[C@@H]21 1074160270 QRNGYOGFXXKIGG-NWDGAFQWSA-N 303.322 -0.379 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CCN(C(=O)c2ncc[nH]2)CC1 1074577278 IAIJLZMDWWXGCX-JTQLQIEISA-N 305.338 -0.347 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]2CN(CC(N)=O)C[C@H]21 1075807773 VWKFGCLGZDDUHV-DGAVXFQQSA-N 307.394 -0.014 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H](C)CCNC(=O)Cc1n[nH]c(C)n1 1076437294 SLTBQBKOSRFYGW-QWRGUYRKSA-N 321.381 -0.295 30 20 DBED C#CCOCCC(=O)NCC[C@H](C)NC(=O)CCNC(N)=O 1076506387 UZHGRPIMEWKAGP-NSHDSACASA-N 312.370 -0.904 30 20 DBED C#CCO[C@H](C)C(=O)NCC[C@H](C)NC(=O)CCc1cnn[nH]1 1076510056 BIVXHRQXYCGFRE-NWDGAFQWSA-N 321.381 -0.213 30 20 DBED N#CCN[C@H]1C[C@H](NC(=O)CC2CS(=O)(=O)C2)C12CCC2 1078661586 VIOSOAGNEGQESH-RYUDHWBXSA-N 311.407 -0.038 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CO)(NC(=O)Cc2ccon2)CC1 1080786168 ZNCSSQAJJPNISX-NSHDSACASA-N 320.349 -0.154 30 20 DBED COCC1(C(=O)N2C[C@@H](O)[C@H](CNC(=O)C#CC3CC3)C2)CC1 1081473388 GDWLQYVHEUUFBF-ZIAGYGMSSA-N 320.389 -0.238 30 20 DBED CC(C)(C)C#CC(=O)N1C[C@H](CNC(=O)c2nc[nH]n2)[C@@H](O)C1 1081652949 HWEHVPUVKCBZBR-QWRGUYRKSA-N 319.365 -0.597 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CCCF)C1 1081659894 DFVKWOZKDVMTKR-NWDGAFQWSA-N 302.346 -0.126 30 20 DBED CC(C)C#CC(=O)N1C[C@H](CNC(=O)c2n[nH]cc2F)[C@@H](O)C1 1081744742 RWDWPEVXXHVTNA-JQWIXIFHSA-N 322.340 -0.243 30 20 DBED C=C1CC(C)(C(=O)NC[C@H]2CN(C(=O)c3nc[nH]n3)C[C@@H]2O)C1 1081751909 BHMCGLOAWYJEBU-QWRGUYRKSA-N 319.365 -0.290 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2cccc3nc(O)[nH]c23)C1 1083533523 VQFNKLNWVMVMNH-NEPJUHHUSA-N 300.318 -0.323 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)Cn2c(=O)oc3ccccc32)C1 1084047412 BTKDUHUYZIHVLQ-YPMHNXCESA-N 315.329 -0.611 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)c2cccnc2N(C)C)C1 1084051543 RCGRKPMJBNJSQC-KGLIPLIRSA-N 302.378 -0.054 30 20 DBED CN1CC(=O)N(CC(=O)N2CCCCC[C@@H](NCC#N)C2)C1=O 1088423653 YPDSPSYBEKGJOS-GFCCVEGCSA-N 321.381 -0.235 30 20 DBED CCN(c1cnc(C#N)cn1)[C@H](C)CNC(=O)[C@@H]1CCC(=O)N1 1089675471 XDUMRXCVMCAAPH-PWSUYJOCSA-N 316.365 -0.042 30 20 DBED N#CCN1C[C@@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)Cn2nccn2)C1 1089812026 KUOXIYGWTWCVKO-FQUUOJAGSA-N 300.366 -0.030 30 20 DBED Cc1cccn(CC(=O)N[C@H]2CCN(CC#N)C[C@H]2O)c1=O 1090264844 IFQABXYAZZUDKU-QWHCGFSZSA-N 304.350 -0.768 30 20 DBED COc1ccnc(N2C[C@@H](O)[C@H](NC(=O)CSCC#N)C2)n1 1090373780 NDFTWWZDDDNGGY-NXEZZACHSA-N 323.378 -0.592 30 20 DBED CCc1nc(C#N)cc(N2C[C@@H](O)[C@H](NC(=O)[C@@H](C)C#N)C2)n1 1090404873 YNXHYZAATGWLKM-MVWJERBFSA-N 314.349 -0.264 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2ccoc2CC(N)=O)[C@@H](O)C1 1090523483 RBBCUBVUXBWQIU-NEPJUHHUSA-N 305.334 -0.894 30 20 DBED NC(=O)C(=O)N[C@@H]1CCN(CC#Cc2ccc(F)cc2)C[C@@H]1O 1090531052 IBCAAGOZZGHGBE-KGLIPLIRSA-N 319.336 -0.786 30 20 DBED COC(=O)NCC(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1C 1090661504 PLWZMNBYNZLORS-MWLCHTKSSA-N 318.337 -0.355 30 20 DBED N#Cc1cnc(N2C[C@H](O)[C@H](NC(=O)C3(CF)CC3)C2)cn1 1091180970 NJABROYWCOKIRU-MNOVXSKESA-N 305.313 -0.236 30 20 DBED C=CCCOCC(=O)N1CCN(c2nccn3nnnc23)CC1 1093161125 PCGQCMMGBYRMBD-UHFFFAOYSA-N 317.353 -0.239 30 20 DBED COC(=O)c1cnc(N2C[C@H]3[C@H](NC(=O)[C@@H](C)C#N)[C@H]3C2)nc1 1093235202 JOZHHZDNJZNLLU-OHBODLIOSA-N 315.333 -0.026 30 20 DBED CCC[C@@H](NC(N)=O)C(=O)NCCNc1cnc(C#N)cn1 1093776117 UXTNIGZATKLLOC-SNVBAGLBSA-N 305.342 -0.287 30 20 DBED N#Cc1cncc(NCCNC(=O)c2coc(C(N)=O)c2)n1 1094019945 FVACXWDBWPZCMB-UHFFFAOYSA-N 300.278 -0.118 30 20 DBED Cn1cnc2cc(C(=O)NCCN=c3cc[nH]c(C#N)n3)cnc21 1094032765 UMIMQXMYJMMSEB-UHFFFAOYSA-N 322.332 -0.106 30 20 DBED N#CCN1CCN(C(=O)Cc2ccon2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094615978 NYFGIABYDGUICE-NWDGAFQWSA-N 324.362 -0.950 30 20 DBED CN1CC[C@@H](CC(=O)NCCCN=c2cc[nH]c(C#N)n2)C1=O 1094633428 DZWWSYGJYQQUQZ-NSHDSACASA-N 316.365 -0.443 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)c3cnnc(O)c3)CC2=O)C1 1094746900 CENGGVMIYCVBJJ-NSHDSACASA-N 317.349 -0.617 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)c3c(C)cnn3C)CC2=O)C1 1094773493 XQMOBUQHTZOCNX-LBPRGKRZSA-N 317.393 -0.071 30 20 DBED CNC(=O)CC(=O)N1CCC(Nc2cncc(C#N)n2)CC1 1095224170 QBJVNEHYOHGQRY-UHFFFAOYSA-N 302.338 -0.113 30 20 DBED CN(CCCNC(=O)c1nccnc1N)c1cncc(C#N)n1 1095517616 TWZBGIGXCUSVAP-UHFFFAOYSA-N 312.337 -0.023 30 20 DBED CN(C)CCOCC(=O)N[C@@H]1CCN(c2ccnc(C#N)n2)C1 1096399122 AQEDHUGEYPMBSS-GFCCVEGCSA-N 318.381 -0.379 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cn(C)c(=O)nc1O 1096535671 ZANAKHUTNNUCQA-USWWRNFRSA-N 302.334 -0.546 30 20 DBED C[C@H](CNC(=O)c1ccc(C#N)[nH]1)Nc1ccc2nnnn2n1 1097761111 ZBSWHHONARRNOG-MRVPVSSYSA-N 311.309 -0.051 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCNC(=O)C1)N=c1cc[nH]c(C#N)n1 1097773541 GGIKGRMNDLMJJF-UWVGGRQHSA-N 302.338 -0.787 30 20 DBED C#CCCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C1CC(=O)NC(=O)C1 1098031051 SUYBFKDUJKZFGH-UPJWGTAASA-N 303.362 -0.216 30 20 DBED C[C@H](CNC(=O)[C@H]1CCN(C)C1=O)N=c1cc[nH]cc1C#N 1098193324 CEBYQLZKGGOTDB-ZYHUDNBSSA-N 301.350 -0.230 30 20 DBED C#CCCN(CCO)C1CCN(C(=O)Cc2n[nH]c(C)n2)CC1 1098364512 YIIDWBGCNNOHFX-UHFFFAOYSA-N 319.409 -0.036 30 20 DBED CCN(CCC#N)C(=O)CN1CC[C@@H](NC(=O)C(C)C)[C@@H](O)C1 1099669242 OJLKOSSZQDIBIO-KGLIPLIRSA-N 324.425 -0.044 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(Cc2nonc2C)C[C@H]1O 1099740967 LTAXQWGKJBWHCP-DGCLKSJQSA-N 310.354 -0.368 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)C#CC(C)(C)C)[C@@H](O)C1 1099829589 GEOWDXTXJVHLCW-KGLIPLIRSA-N 319.405 -0.663 30 20 DBED CC(=O)NC1(C(=O)N[C@@H]2CCN(CC#N)C[C@@H]2O)CCCCC1 1099894337 JFROFYWGKJPDKP-KGLIPLIRSA-N 322.409 -0.100 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)CCCS(C)(=O)=O)[C@@H](O)C1 1100032493 WJNGDOAAIARHSP-OLZOCXBDSA-N 318.439 -0.061 30 20 DBED COCC#CCN1CC[C@H](NC(=O)CN2CCCC2)[C@H](O)C1 1100110391 VEGIDLUBBDBEMO-LSDHHAIUSA-N 309.410 -0.717 30 20 DBED C=CCNC(=O)CNC1CC(CNC(=O)C(C)(C)C(N)=O)C1 1100423344 DUEWDRNWPZRVFH-UHFFFAOYSA-N 310.398 -0.716 30 20 DBED CCN(CCNC(=O)C[C@@H]1CCC(=O)N1)c1cnc(C#N)cn1 1100568495 JDLRLLORPFATLD-NSHDSACASA-N 316.365 -0.041 30 20 DBED Cn1cc(C(=O)NCCN(c2ccnc(C#N)n2)C2CC2)nn1 1101338255 CWRCAROIBMMVOF-UHFFFAOYSA-N 312.337 -0.124 30 20 DBED CC(=O)N[C@H](C)C(=O)N(C)[C@H]1CCN(c2nccnc2C#N)C1 1102668842 VHWREOILAVEHPJ-PWSUYJOCSA-N 316.365 -0.090 30 20 DBED N#Cc1cncc(N2CCCC[C@H](NC(=O)CNC(N)=O)C2)n1 1102839830 FVWIJHSSINFQPX-JTQLQIEISA-N 317.353 -0.508 30 20 DBED CC[C@H](CNC(=O)[C@@H]1CNC(=O)N1)N=c1cc(C)[nH]cc1C#N 1103277744 NYAVVOOEFDRNON-YPMHNXCESA-N 316.365 -0.328 30 20 DBED C[C@](CNc1cnc(C#N)cn1)(NC(=O)CC(N)=O)C1CC1 1103507110 QGAYMONFYJGMFM-CQSZACIVSA-N 302.338 -0.080 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)CNC(=O)C1CC1 1103854060 WYVBHUBTAYBYAT-JTQLQIEISA-N 316.365 -0.539 30 20 DBED C#CCNCC[C@@H]1CN(C(=O)[C@H](C)NC(=O)COC)C[C@H]1C 1104227070 LCTRUJHIBVMSJL-HZSPNIEDSA-N 309.410 -0.155 30 20 DBED CN1C[C@@H](C(=O)N(C)CCN(C)c2ccnc(C#N)n2)NC1=O 1105536119 MXCFPVRDBURABK-JTQLQIEISA-N 317.353 -0.734 30 20 DBED N#Cc1c(F)cccc1NC[C@H](O)CNC(=O)[C@@H]1COC(=O)N1 1105835665 RSDTTWSHKFMWHX-UFBFGSQYSA-N 322.296 -0.305 30 20 DBED COC[C@@H](C)C(=O)N1C[C@@H](C)[C@H](CNCC(=O)NCC#N)C1 1105931484 KIIPPKSIQIXTTK-JHJVBQTASA-N 310.398 -0.407 30 20 DBED Cc1cc(C#N)nc(NC[C@H](O)CNC(=O)c2cccnn2)n1 1105936341 ZCJDEZBKTVPSSW-LLVKDONJSA-N 313.321 -0.351 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)c2cnc(C)[nH]2)C[C@H]1C 1105937829 HEZXTZZLBDQJRS-DGCLKSJQSA-N 317.393 -0.235 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)C[C@H]2CCNC2=O)cn1 1106002499 ITHTVICXLPQTFO-ZWNOBZJWSA-N 317.349 -0.632 30 20 DBED N#Cc1c(F)cccc1NC[C@H](O)CNC(=O)C1(C(N)=O)CC1 1106098419 UTNCJWJXMDYZPW-VIFPVBQESA-N 320.324 -0.148 30 20 DBED N#Cc1nc(=NC/C=C/CNC(=O)c2nccnc2N)cc[nH]1 1107117199 QQAGCULQDDQXQV-OWOJBTEDSA-N 310.321 -0.460 30 20 DBED CN1C[C@H](C(=O)NC/C=C\CNc2cnc(C#N)cn2)NC1=O 1107450270 CTRNAKZKZPKSSX-OTDNITJGSA-N 315.337 -0.544 30 20 DBED C[C@@H](CC(N)=O)C(=O)NC/C=C/CNc1nccnc1C#N 1107453025 WIDOUSSEWUMCGY-PBKGFPTLSA-N 302.338 -0.056 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)[C@H]1CCCS1(=O)=O 1107773292 OVWGCRZDUHUOLZ-NXEZZACHSA-N 323.378 -0.736 30 20 DBED C[C@H](C#N)C(=O)NC[C@]1(C)CN(Cc2cnn(C)n2)CCO1 1107819437 PFVNQMBJHZOGDX-BXUZGUMPSA-N 306.370 -0.318 30 20 DBED C[C@H](CNc1cnc(C#N)cn1)NC(=O)C1CS(=O)(=O)C1 1107951690 CXRJETTZVYWTJC-MRVPVSSYSA-N 309.351 -0.691 30 20 DBED CC(C)c1nnnn1CC(=O)NC[C@]1(C)CN(CC#N)CCO1 1108267548 DFYWMDDEMZLJRT-CQSZACIVSA-N 321.385 -0.473 30 20 DBED CC(=O)N1CC(C(=O)N[C@@H](C)CNc2ccc(C#N)nn2)C1 1108330071 DZMAGHWWFQXQNG-VIFPVBQESA-N 302.338 -0.257 30 20 DBED COCCCCN1CC(N2C[C@H](NC(=O)[C@H](C)C#N)CC2=O)C1 1108527054 BNAJKAUETKEGBT-CHWSQXEVSA-N 322.409 -0.026 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)COCC=C 1109070894 NHLLZVBPZPSAGZ-RDBSUJKOSA-N 305.378 -0.340 30 20 DBED C[C@H](CN(C)c1cnc(C#N)cn1)NC(=O)C1(C(N)=O)CC1 1109217480 PQEFBXLCCRRKPA-SECBINFHSA-N 302.338 -0.445 30 20 DBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN1CCCC1 1110103359 QLXRQJUXSCCUPZ-RDBSUJKOSA-N 319.409 -0.557 30 20 DBED C=CCNC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CNC(N)=O 1110268423 GPTMSPRNNPIHSR-QCNOEVLYSA-N 323.397 -0.933 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC 1110546478 YRDPCQJVPQYQHR-DGAVXFQQSA-N 307.394 -0.118 30 20 DBED C[C@]1(NC(=O)CNC(N)=O)CCN(c2ccncc2C#N)C1 1110709272 VZZSVHSHEXAHDC-AWEZNQCLSA-N 302.338 -0.293 30 20 DBED COCC(=O)NC[C@@]1(O)CCN(c2nc(C)ccc2C#N)C1 1111033799 YWYCWOPQVYSFBQ-HNNXBMFYSA-N 304.350 -0.035 30 20 DBED CO[C@@H](C)C(=O)N[C@@]1(CO)CCCN(c2nccnc2C#N)C1 1111336070 HEJFUBZCKKLXJG-NHYWBVRUSA-N 319.365 -0.169 30 20 DBED CC(=O)N(C)CC(=O)N(CCO)CCNc1ncccc1C#N 1111441701 BDAUSONGMXUYLR-UHFFFAOYSA-N 319.365 -0.336 30 20 DBED N#Cc1nc(=NCCN(CCO)C(=O)[C@@H]2CCCCO2)cc[nH]1 1111457287 RCXLAWWPUIQINK-LBPRGKRZSA-N 319.365 -0.428 30 20 DBED CN1CC[C@H](C(=O)N(CCO)CCNc2nccnc2C#N)C1 1111475346 JIODGTMAIVWUOB-LBPRGKRZSA-N 318.381 -0.467 30 20 DBED C#CCOCCC(=O)NC[C@H]1COCCN1c1nccnc1F 1111699856 CYHWFVHYTCIYIQ-LBPRGKRZSA-N 322.340 -0.023 30 20 DBED C[C@@H](C#N)C(=O)NC1(CO)CCN(c2cnc(C#N)cn2)CC1 1112656913 HTECJPIQAQDLED-NSHDSACASA-N 314.349 -0.045 30 20 DBED C[C@H](NC(=O)CCn1cnnn1)[C@@H](C)Nc1nccnc1C#N 1113125207 VBMUMBIEWJJNLP-VHSXEESVSA-N 315.341 -0.270 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)C2CCN(C)CC2)CC1 1113292380 WBMDAGGJKUFTPI-CQSZACIVSA-N 320.437 -0.390 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)C3CCOCC3)[C@@H]2C1 1113771098 ZJTJRLITRYQBOM-CHWSQXEVSA-N 305.378 -0.791 30 20 DBED C[C@H](CNC(=O)c1c[nH]c(=O)cn1)N(C)c1cncc(C#N)n1 1113849480 NCYZXYVBJIILHL-SECBINFHSA-N 313.321 -0.314 30 20 DBED CC(C)NC(=O)NCCN1C[C@H]2C(NC(=O)[C@H](C)C#N)[C@@H]2C1 1114067857 XSLWIZGRTHBOPP-IJLUTSLNSA-N 307.398 -0.100 30 20 DBED N#Cc1ccc(C(=O)NC2[C@H]3CN(CCOCCO)C[C@H]23)[nH]1 1114145579 RYWWQOZRYQECJZ-RYUDHWBXSA-N 304.350 -0.445 30 20 DBED C#CCCCC(=O)NC1[C@@H]2CN(CC(=O)N3CCOCC3)C[C@@H]12 1114199177 PMDCEYHCIDFOGG-ZIAGYGMSSA-N 319.405 -0.305 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)c3ccncn3)[C@@H]2C1 1114991758 IYTQYOXJOBJANJ-QJPTWQEYSA-N 315.377 -0.173 30 20 DBED C=CCN1C[C@@H]2C(NC(=O)CCS(=O)(=O)N(C)C)[C@H]2C1 1115281884 DDPCRXYLLVWHRD-QWRGUYRKSA-N 301.412 -0.500 30 20 DBED CC(=O)N[C@H](C)C(=O)NC[C@@H](CO)Nc1ncc(C#N)cc1F 1121177529 MJVKDZSPLMGIDA-KCJUWKMLSA-N 323.328 -0.494 30 20 DBED N#Cc1nccnc1N[C@@H](CO)CNC(=O)C1=CCOCC1 1121340448 XMQKYKDEKMTBEJ-LLVKDONJSA-N 303.322 -0.416 30 20 DBED Cc1ccc(C#N)c(N[C@H](CO)CNC(=O)[C@@H]2CCC(=O)N2)n1 1121818013 GMMYAEMRDNREJN-RYUDHWBXSA-N 317.349 -0.571 30 20 DBED N#Cc1cccnc1N[C@H](CO)CNC(=O)[C@@H]1CCCNC1=O 1122146970 GNEMTZVMOKMGSD-NWDGAFQWSA-N 317.349 -0.632 30 20 DBED Cc1nocc1C(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1 1122436182 CZOALNZLQDGJOQ-SECBINFHSA-N 302.294 -0.731 30 20 DBED CC[C@H](NC(C)=O)C(=O)NC[C@H](CO)Nc1ccc(C#N)nn1 1122644901 PYZSTQTWDQZXEB-NEPJUHHUSA-N 320.353 -0.848 30 20 DBED CO[C@H](C)C(=O)N(C)C[C@@H](O)CNc1nc(C)cc(C#N)n1 1124124030 LIXOOHKCLAPGGU-PWSUYJOCSA-N 307.354 -0.077 30 20 DBED CC[C@H](C(=O)N(C)C[C@H](O)CNc1ccc(C#N)nn1)N(C)C 1124454382 KKJIMJZVBNEAOO-CHWSQXEVSA-N 320.397 -0.080 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)c1cocn1 1124798723 NFOMVEMQHMHZIU-VIFPVBQESA-N 309.326 -0.606 30 20 DBED COCCS(=O)(=O)CCCNCCNC(=O)C#CC1CC1 1126881243 NHTVXWPPRVZAOE-UHFFFAOYSA-N 316.423 -0.443 30 20 DBED C=CCN1CCn2ncc(CNC(=O)CS(C)(=O)=O)c2C1 1128235777 XZPGQMQYHUNADR-UHFFFAOYSA-N 312.395 -0.455 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)[C@@H]1CCC1(F)F 1130101756 SUGGESMGFVSXFX-VIFPVBQESA-N 318.324 -0.251 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)CNC(=O)OC)C[C@@]3(C1)O2 1131191035 PXZHGADPQYNPHL-YWPYICTPSA-N 307.350 -0.723 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1ccn2ccnc2c1 1131265804 POAHNOXTQXUDFV-UHFFFAOYSA-N 300.322 -0.707 30 20 DBED C=CCOCC(=O)N[C@H]1CC[C@H](C)N(Cc2nc(=O)n(C)[nH]2)C1 1131946207 HSENFPMOEXOHGR-RYUDHWBXSA-N 323.397 -0.220 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)Cn1ccc(C)n1 1134002223 OQUCBUHPRGBDTH-UHFFFAOYSA-N 320.397 -0.341 30 20 DBED COCC#CCNCCNC(=O)c1ccc(S(C)(=O)=O)o1 1134604210 VJBWMTYBAHXOPE-UHFFFAOYSA-N 314.363 -0.348 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1ccc(C(C)C)nc1O 1134853668 NYWVWMOMXQBXJC-UHFFFAOYSA-N 318.377 -0.021 30 20 DBED C=CCO[C@H](C)C(=O)N1CC2(CCN(Cc3nnn(C)n3)C2)C1 1148873964 CXIYKILSCZSVOX-GFCCVEGCSA-N 320.397 -0.165 30 20 DBED N#CCNC(=O)CN1CCCO[C@@H](CNC(=O)[C@H]2CCCO2)C1 1149089656 CEHLGHXHCQKCDY-QWHCGFSZSA-N 324.381 -0.988 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)c1cc(CC)[nH]n1 1154872679 VRSHGSSNSXRBLA-LLVKDONJSA-N 305.382 -0.181 30 20 DBED CC#CCN(CC)[C@H](C)CNC(=O)CN1CC(=O)N(C)C1=O 1156354977 WYEXBNMNUPFCOH-GFCCVEGCSA-N 308.382 -0.270 30 20 DBED CCN(CCC#N)C(=O)CNCCCNC(=O)c1ncn(C)n1 1157493867 OQXJKMZNAZQLGJ-UHFFFAOYSA-N 321.385 -0.713 30 20 DBED CN(CC#N)C[C@H]1CCCCN1C(=O)c1cn(CC(N)=O)nn1 1158913999 IYIQNFDECNFECR-LLVKDONJSA-N 319.369 -0.787 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)C[C@H]1CCCC(=O)N1 1162184040 QZYKWYAWCAJLHU-QWHCGFSZSA-N 322.409 -0.721 30 20 DBED C=CCN(CC=C)C(=O)CNCCCNC(=O)[C@H]1C[C@H]1C(N)=O 1166797084 WXJUTWYWGLWCSU-OLZOCXBDSA-N 322.409 -0.596 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)C(=O)N1CC[C@H](C)C1 1170643302 QHLMXFMOBWLASZ-QWHCGFSZSA-N 322.409 -0.911 30 20 DBED C#CCOc1ncccc1C(=O)NCCCNCC(=O)NC 1171544103 OXRLPGYGWZJOPS-UHFFFAOYSA-N 304.350 -0.451 30 20 DBED C#CCNCCCC[C@H](C)NC(=O)Cn1nc(C)n(C)c1=O 1176392282 KABGBWMIVIRDIG-LBPRGKRZSA-N 307.398 -0.212 30 20 DBED C#CCCN1CCO[C@H]2CCN(C(=O)CN(C)C(C)=O)C[C@H]21 1176930232 QQQTUGZYBWJPPJ-CABCVRRESA-N 307.394 -0.210 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)C3(C(=O)N(C)C)CC3)C[C@H]21 1177132853 WMDIITCASUKGIS-ZIAGYGMSSA-N 319.405 -0.210 30 20 DBED CNC(=O)NC(C)(C)C(=O)N1CC[C@@H]2OCCN(CC#N)[C@H]2C1 1177156526 JTDBICDGZOVSCB-RYUDHWBXSA-N 323.397 -0.481 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@H](C)n1nc(C)cc1C 1177325695 SNRNZPWETLEOEK-AWEZNQCLSA-N 319.409 -0.094 30 20 DBED CC(C)N(C)CC(=O)N1CC[C@H](NCC(=O)NCC#N)[C@@H]1C 1180221612 BBHSKHXLWOHLLR-STQMWFEESA-N 309.414 -0.455 30 20 DBED Cc1cc(C(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)ns1 1182204103 LTHRNOWWTKFHET-SNVBAGLBSA-N 307.379 -0.105 30 20 DBED CC#CCNC[C@H]1CN(C(=O)CNC(N)=O)CC12CCOCC2 1186245870 OVBCMMVSPVAHRL-ZDUSSCGKSA-N 322.409 -0.477 30 20 DBED C#CCNC[C@@H]1CN(C(=O)CC(=O)N(C)C)CC12CCOCC2 1186512928 OWYNVXQQFYSXOP-CQSZACIVSA-N 321.421 -0.057 30 20 DBED Cn1cccc1C(=O)N1CC[C@H]2CN(CC(=O)NCC#N)C[C@H]21 1186853775 IGOWSTHZUDSHNO-GXTWGEPZSA-N 315.377 -0.189 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H]2CN(C[C@@H](C)OC)C[C@H]21 1187605414 JNMIMTZZAIMSSU-HZSPNIEDSA-N 307.394 -0.307 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)Cc2c(C)n[nH]c2C)C1 1187750716 RJIHGIZDJQTWRG-CYBMUJFWSA-N 317.393 -0.491 30 20 DBED C=CCNC(=O)CN1C[C@@H]2CCN(C(=O)[C@@H]3CCC(=O)N3)[C@@H]2C1 1189857399 OETDCAYGMXFSRG-RWMBFGLXSA-N 320.393 -0.900 30 20 DBED Cc1ncn(C)c1C(=O)N1CC[C@H](N(C)CC(=O)NCC#N)C1 1190789938 UVYVTBUXLIEZDC-LBPRGKRZSA-N 318.381 -0.485 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC=CCC2)C1 1190969741 QNAXRANZHRBEPC-BFHYXJOUSA-N 305.378 -0.747 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)CCCCOC)C1 1191631310 WNMMSPSANZBNQJ-CHWSQXEVSA-N 313.398 -0.733 30 20 DBED C=CCN1CC[C@@H](N2C[C@@H](O)[C@H](NC(=O)/C=C\C3CC3)C2)C1=O 1192062956 RKIRNYAUBHFFOK-CWCORTEISA-N 319.405 -0.099 30 20 DBED C=CCC[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)CN2CCOCC2)C1 1192263192 KGDAFPZGJZKRHN-RBSFLKMASA-N 311.426 -0.165 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)CN(CC)CC)C1 1192960046 MFUJQORXOBDIDY-CQSZACIVSA-N 308.426 -0.390 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2nccn2C)C[C@H]1O 1199311705 BOVSMRIGTDWLHX-JHJVBQTASA-N 308.382 -0.328 30 20 DBED CN1CC[C@H](C(=O)N2CCCO[C@@H](CNCC#N)C2)CC1=O 1200824811 SDYCZAVQUBGUKQ-STQMWFEESA-N 308.382 -0.415 30 20 DBED CCCN1C[C@H](C(=O)N2CCCO[C@H](CNCC#N)C2)CC1=O 1201524945 NQLKNOTVKQGEBU-ZIAGYGMSSA-N 322.409 -0.024 30 20 DBED C#CCN[C@@H]1C[C@@H](NC(=O)CCNS(C)(=O)=O)C12CCC2 1202994339 DHAUBIUTRBKVLC-VXGBXAGGSA-N 313.423 -0.424 30 20 DBED C=CCNC(=O)CN[C@H]1C[C@H](NC(=O)c2cnn[nH]2)C12CCC2 1203112266 BBWGTMJAKWYKNM-RYUDHWBXSA-N 318.381 -0.263 30 20 DBED C#CCNC(=O)[C@H](C)NC1CCN(C(=O)CN2CCCC2)CC1 1203714092 FTAHFXGKZKGCCT-AWEZNQCLSA-N 320.437 -0.199 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)CSCC#N)C1 1207410752 WGCIJCZWHFQOTB-GFCCVEGCSA-N 308.407 -0.427 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCC[C@H](NCC(=O)NCC)C1 1208353059 WINGCGYRISVWSU-GJZGRUSLSA-N 320.437 -0.199 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)Cn2ccnc2C)[C@H](C)C1 1211039100 ODJAYGRYJGWGLF-TZMCWYRMSA-N 319.409 -0.070 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)CS(=O)(=O)CC(C)C 1212474123 DEXGXMPLGZMKAO-VXGBXAGGSA-N 317.411 -0.604 30 20 DBED CC#CCCCC(=O)N1CCO[C@@H]2CN([C@@H](C)C(N)=O)C[C@@H]21 1218504367 UPWROTDQRVJBKV-MELADBBJSA-N 307.394 -0.035 30 20 DBED N#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)CC2CCCC2)C1 1219114396 SBSOHOTVCLPWII-OLZOCXBDSA-N 308.382 -0.632 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(CC(=O)NCC2CCC2)C[C@@H]1O 1219582049 ZXZQJFHUJXWNKY-CABCVRRESA-N 321.421 -0.277 30 20 DBED CC(C)CNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)C#CC2CC2)C1 1219596104 FXQGDZOHEGIHLY-CFVMTHIKSA-N 321.421 -0.278 30 20 DBED CC[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(CC#CCOC)C[C@@H]1O 1220044592 PSLSYSUDMMJKRO-KBXIAJHMSA-N 310.394 -0.387 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)CC(=O)NCC(F)(F)F)C1 1220651499 FOJCCNRRIBFFKP-ZJUUUORDSA-N 321.299 -0.760 30 20 DBED C=CCC1(C(=O)N[C@@H]2CN(C[C@@H](C)O)C[C@@H]2O)CCOCC1 1220871457 GWSUFKNCSBPFFO-MCIONIFRSA-N 312.410 -0.099 30 20 DBED C=C[C@H](C(=O)N[C@@H]1CN(CC(N)=O)C[C@@H]1O)c1ccccc1 1221048077 DTCISERWHRFYFS-MJBXVCDLSA-N 303.362 -0.397 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CN(CCn2cncn2)C[C@@H]1O 1221145854 NIIOERHLNDVGQC-XQQFMLRXSA-N 309.370 -0.970 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@H]2CCN(Cc3ncnn3C)C[C@H]21 1221540994 IZQQSGCOHXJAGM-MGPQQGTHSA-N 317.393 -0.114 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)[C@H]3OCC[C@H]3C)[C@@H]2C1 1221820222 SLKJNYKRSWWOAO-KQTLUZQSSA-N 319.405 -0.307 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)c2nccc(C)n2)CC1 1227114691 MQAHIZNCLHPMMJ-UHFFFAOYSA-N 315.377 -0.271 30 20 DBED N#CCN1CCS(=O)(=O)[C@@H](CCNC(=O)[C@H]2CCOC2)C1 1230467327 JYRQDFODZYDAMX-RYUDHWBXSA-N 315.395 -0.848 30 20 DBED C=C[C@@](C)(O)CC(=O)N(C)C[C@H]1CCN1Cc1nnn(C)n1 1233978092 RAIKQUQESZIQCY-BXUZGUMPSA-N 308.386 -0.430 30 20 DBED CN1CC[C@@H](OC(=O)CCN/C(O)=C2\N=CC=CC2=O)C1=O 1318679588 WPKXQIYVAHWIOT-LRZCVGBLSA-N 307.306 -0.323 30 20 DBED C#CCOCCNC(=O)C(=O)NCc1ccc([S@](C)=O)cc1 1323261866 WNURFEWYFAJVNU-QFIPXVFZSA-N 322.386 -0.194 30 20 DBED C=CC1CCN(C(=O)C(=O)NCc2nnc3n2CCOC3)CC1 1324060676 GQGNVZIKHLWKIW-UHFFFAOYSA-N 319.365 -0.151 30 20 DBED C#CCSCCNC(=O)C(=O)N1CCOC[C@@H]1C[C@H](C)O 1325314361 TZTMWJOZXLJSHI-RYUDHWBXSA-N 314.407 -0.533 30 20 DBED COCCN1CCN(C(=O)C(=O)N(C)CC(C)(C)C#N)CC1 1325571060 YMYAZFAVBKZMLK-UHFFFAOYSA-N 310.398 -0.215 30 20 DBED COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)C(=O)N2CCC(C#N)CC2)C1 1326249146 NMUFHYKTUMQSRG-VXGBXAGGSA-N 323.349 -0.869 30 20 DBED CC(C)(C)S(=O)(=O)CCNC(=O)C(=O)NCCCC#N 1326642377 XIJRGOTTYNRDIZ-UHFFFAOYSA-N 303.384 -0.264 30 20 DBED C#CC1CCN(C(=O)C(=O)N2CC[C@@H](N3CCOC3=O)C2)CC1 1327384475 VNMHKBRQVFPEML-CYBMUJFWSA-N 319.361 -0.089 30 20 DBED C[C@H]1CC2(CCNCC2)CN1C(=O)C(=O)N1CCO[C@@H](C#N)C1 1329125048 HMDSZZGNAYUPCH-STQMWFEESA-N 320.393 -0.272 30 20 DBED C=CCN(C(=O)C(=O)NCCS(=O)(=O)CC)[C@@H](C)COC 1330899333 FYABCJPAHKTFFE-NSHDSACASA-N 320.411 -0.413 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2O[C@H]3C=C[C@H]2CC3)nn1 1333071287 NQANGAQLOUOJLN-RYUDHWBXSA-N 303.322 -0.059 30 20 DBED C#CCN(C)c1nnc([C@@](C)(O)Cn2ccccc2=O)n1C 1337857291 DBLGMBWGEJNGHI-HNNXBMFYSA-N 301.350 -0.046 30 20 DBED C[C@@H](C(=O)NC1(C#N)CCC1)N(C)CCNS(C)(=O)=O 1338766520 HGRNBUOKTBAXHG-JTQLQIEISA-N 302.400 -0.582 30 20 DBED C#CC1(O)CCN(C(=O)NC[C@@H]2CC[C@@H](C(=O)N(C)C)O2)CC1 1346391504 XWXGFLSLRQIRCX-STQMWFEESA-N 323.393 -0.208 30 20 DBED CN(C[C@H](O)C1CC1)C(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1348619510 YDRMJXAUEJDXJP-KBPBESRZSA-N 320.393 -0.586 30 20 DBED COC(=O)[C@@H]1CCN(C(=O)C(=O)N2CCO[C@@H](C#N)C2)C[C@@H]1C 1350205116 NAJRHQLWCOBBEN-SDDRHHMPSA-N 323.349 -0.605 30 20 DBED CCN1CCC[C@H](CNC(=O)Cn2cc(C#N)c(O)nc2=O)C1 1361690292 DWVPYZXPQKVVPF-LLVKDONJSA-N 319.365 -0.331 30 20 DBED N#Cc1cn(CCC(=O)NCC2(CO)CCCC2)c(=O)nc1O 1362669437 CREXBMPYWDTFLZ-UHFFFAOYSA-N 320.349 -0.120 30 20 DBED C[C@H](CNC(=O)[C@@H]1COC(=O)N1)NC(=O)c1cc(C#N)c[nH]1 1372855058 WEBUBFGHYCWATP-XCBNKYQSSA-N 305.294 -0.771 30 20 DBED C[C@@H](CNC(=O)C(C)(C)S(C)(=O)=O)NC(=O)[C@@H](C)C#N 1373127511 SRVJMTJPRCSPCM-IUCAKERBSA-N 303.384 -0.410 30 20 DBED CC(C)CS(=O)(=O)CC(=O)N(C)CCNC(=O)[C@H](C)C#N 1387079384 DYOQJUZFMZNQHR-LLVKDONJSA-N 317.411 -0.209 30 20 DBED CCn1ccc(CC(=O)NC[C@@H](O)CNC(=O)[C@H](C)C#N)n1 1389094164 JDVPZHUMRDNSSR-ZYHUDNBSSA-N 307.354 -0.802 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)COCc2ccnn2C)CC1 1389883730 MHBKUOPTIVIMMK-NSHDSACASA-N 319.365 -0.139 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)C[C@@H]2CCN(C)C2=O)CC1 1393692701 AVESYIWIPGIXBV-MNOVXSKESA-N 306.366 -0.221 30 20 DBED C[C@H](C#N)C(=O)NC1CCN(C(=O)C[C@H]2CCC(=O)N2)CC1 1396831517 HLNILYXIPWRJMZ-ZYHUDNBSSA-N 306.366 -0.078 30 20 DBED COCC(=O)NCCC(=O)N[C@@H]1CCN(C(=O)[C@@H](C)C#N)C1 1396919025 VUKCWNFPCYKMLJ-WDEREUQCSA-N 310.354 -0.984 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1cccc2c1OCC2 1399860157 FNVULVGCAIQDKZ-CMPLNLGQSA-N 317.345 -0.012 30 20 DBED CCN(C(=O)[C@@H](C)C#N)[C@H](C)CNC(=O)CS(=O)(=O)CC 1406093137 OSWKOBUFZGYBFM-WDEREUQCSA-N 317.411 -0.066 30 20 DBED CCN(CCC(=O)OC)C(=O)Cn1cc(C#N)c(O)nc1=O 1411662231 BXDSPFRPVQAQBG-UHFFFAOYSA-N 308.294 -0.768 30 20 DBED C[C@@H](C#N)C(=O)N(C)C1CCN(C(=O)[C@H]2COC(=O)N2)CC1 1412278101 DVIRHRFVBOJBNK-GXSJLCMTSA-N 308.338 -0.296 30 20 DBED C[C@H](CN(C)C(=O)[C@@H]1CCC(=O)N1)NC(=O)c1ccc(C#N)[nH]1 1412655042 WHDGTTHLMVSREA-SKDRFNHKSA-N 317.349 -0.258 30 20 DBED N#Cc1ccsc1NC(=O)N1CCN(CC(N)=O)C(=O)C1 1413609329 PLAAGGLEADPTTL-UHFFFAOYSA-N 307.335 -0.219 30 20 DBED CNC(=O)NC(=O)[C@H](C)N[C@H]1C[C@@H](CNC(=O)[C@H](C)C#N)C1 1418615511 LQKVQOHJPFLLJI-YTWAJWBKSA-N 309.370 -0.525 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CCCN1C(=O)CS(C)(=O)=O 1431787474 XHMTYWBPYZAMEX-VHSXEESVSA-N 301.368 -0.702 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H](C)CNC(=O)CCCS(N)(=O)=O 1450073983 GEHSHPIBLHEEEC-VHSXEESVSA-N 318.399 -0.822 30 20 DBED N#Cc1cn(CCNC(=O)NC[C@@H]2CCOC2)c(=O)nc1O 1477375266 UNOSCUAUUSDMPM-VIFPVBQESA-N 307.310 -0.844 30 20 DBED C#CCOCCC(=O)N1CC[C@H](N[C@@H]2CCC(=O)NC2=O)C1 1491725401 ZGOPIIPVFVWHDL-NWDGAFQWSA-N 307.350 -0.978 30 20 DBED C[C@@H](C#N)C(=O)NCCN1CCN(C(=O)C2=COCCO2)CC1 1493184401 LNYKLVDJTDEBFF-LBPRGKRZSA-N 322.365 -0.705 30 20 DBED Cc1nccn1CCCC(=O)NC[C@H](O)CNC(=O)[C@H](C)C#N 1533298052 RRHNQHYAPUYFNX-YPMHNXCESA-N 321.381 -0.275 30 20 DBED COC1(c2cnnn2C)CN(C(=O)C#CC2CCOCC2)C1 1548810801 OKCBCILDUYNKEN-UHFFFAOYSA-N 304.350 -0.071 30 20 DBED C[C@H](C#N)C(=O)N1CCN(c2ccc(-c3nn[nH]n3)nn2)CC1 1573569838 GDLMKTCUAOLZAB-SECBINFHSA-N 313.325 -0.535 30 20 DBED C[C@@H]1COCCN1CCNc1cnc(C#N)c(-c2nn[nH]n2)n1 1576377635 KCTBXWJUGJSCQW-SECBINFHSA-N 315.341 -0.339 30 20 DBED C#C[C@H](NC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)cn1)C(C)C 1588327562 LSWHHPJUWVKVJX-JTQLQIEISA-N 313.321 -0.026 30 20 DBED C=CC[C@H]1NC(=O)N([C@@H]2CCCCN(CC(=O)O)C2=O)C1=O 1588457165 NSZQUIPMBYGSIB-NXEZZACHSA-N 309.322 -0.051 30 20 DBED C=CCCOCC(=O)N1CCN(C(=O)[C@H]2C[C@@H]2C(=O)O)CC1 1588810442 QMCIZVLPQJJBMU-RYUDHWBXSA-N 310.350 -0.029 30 20 DBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)COCC(=O)O 1589406094 GSXWUSKZVHEFLA-JTQLQIEISA-N 319.321 -0.513 30 20 DBED N#CCN1CCN(S(=O)(=O)c2ccc(C(=O)O)nc2)CC1 1601074854 TXNNDVNRIAHZIB-UHFFFAOYSA-N 310.335 -0.390 30 20 DBED N#Cc1cccc([C@@H](C(=O)O)N2CCN(C(=O)CO)CC2)c1 1601119111 NYOBVZYJBUMCKV-AWEZNQCLSA-N 303.318 -0.180 30 20 DBED C#CCNC(=O)CNC[C@H]1CCN(C(=O)[C@@H]2CCCCN2C)C1 1713346820 XUBUWIIWYIBIFV-CABCVRRESA-N 320.437 -0.342 30 20 DBED Cc1cncn1CC(=O)N1CC[C@H](CNCC(=O)NCC#N)C1 1752947019 WJIAEFWFSXJJFK-CYBMUJFWSA-N 318.381 -0.731 30 20 DBED CO[C@@H](CC(C)C)C(=O)NCC1CN(CC(=O)NCC#N)C1 1753409327 ODUZLDKWQHPSEZ-ZDUSSCGKSA-N 310.398 -0.265 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C[C@H]1CN2C(=O)c1[nH]c(C)nc1C 1753425234 QYILZQPWZHMWST-STQMWFEESA-N 315.377 -0.325 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)[C@H]1CCN(Cc2cnnn2C)C1 1753438451 ZKNHHVCTPURPQJ-STQMWFEESA-N 305.382 -0.114 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H](O)CNCCn2cccn2)c1 1753915969 GVIVBSACYFVDAH-GFCCVEGCSA-N 302.338 -0.537 30 20 DBED C=CCN1CC[C@H](NC/C=C/CNC(=O)[C@@H]2[C@H]3COC[C@H]32)C1=O 1754158978 KKSIDJZGLZJIDL-IRCPJVBOSA-N 319.405 -0.072 30 20 DBED C#CCCNC[C@@H]1CCCC[C@@H]1NC(=O)CN1CCNC(=O)C1 1754345288 IYYQBDOXCHIABP-GJZGRUSLSA-N 320.437 -0.294 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@@H]1CCCN1C(=O)Cn1cccn1 1754606087 CNMKPJMMMDOADR-KGLIPLIRSA-N 317.393 -0.398 30 20 DBED COc1cccc2c(C(=O)NCC3(O)CN(CC#N)C3)n[nH]c12 1754768393 LFPNAWKGOMSCKF-UHFFFAOYSA-N 315.333 -0.128 30 20 DBED N#CCN1CCC[C@@](CO)(NC(=O)[C@@H]2CCNC(=O)CC2)C1 1754855308 MWJYTDJTTRHZIJ-SWLSCSKDSA-N 308.382 -0.631 30 20 DBED C=C(C)CN1CC(N2CCN(C(=O)C3(C(=O)NC)CC3)CC2)C1 1755146112 KOOMATGQTSRAGP-UHFFFAOYSA-N 320.437 -0.083 30 20 DBED CN(C[C@H](O)CNCC#N)C(=O)C[C@@H]1NC(=O)c2ccccc21 1755792231 QVAPCZTVJDDAHS-RISCZKNCSA-N 316.361 -0.206 30 20 DBED C#CCO[C@H](C)C(=O)N(C)[C@@H](C)CNC(=O)c1cn(C)nn1 1756022909 MISSACOOBIWOCX-WDEREUQCSA-N 307.354 -0.570 30 20 DBED C#Cc1cncc(C(=O)N[C@@H](CO)CNC(=O)[C@@H](C)OCC)c1 1756506270 RYVBUIAHWXNDDU-BXUZGUMPSA-N 319.361 -0.305 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@H](CO)NC(=O)c1ncccc1O 1756515473 MHTYRLHYCSPPHI-ZUZCIYMTSA-N 323.349 -0.679 30 20 DBED C#CCCCC(=O)NC[C@@H](O)CN(C)C(=O)c1n[nH]cc1F 1756678459 OOQVUXLTJZOJFM-SNVBAGLBSA-N 310.329 -0.099 30 20 DBED O=C(O)c1nn(C2CCOCC2)cc1C=NNC1=NCCN1 1776082171 BDKOYLDVQWWWDK-UHFFFAOYSA-N 306.326 -0.185 30 20 DBED C#CC(=O)N1CCO[C@]2(CCN(C(=O)C3(CC)COC3)C2)C1 1782950570 FHGUPRIGFRKSSH-MRXNPFEDSA-N 306.362 -0.124 30 20 DBED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(C#N)CC3)[C@H]2C1 1786698118 RUNMHLJRPPYMDM-AVGNSLFASA-N 301.346 -0.097 30 20 DBED C[C@@H](CN)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC#N)C2 1795512732 OFRVUSLFYZNBGN-FMSGJZPZSA-N 308.382 -0.525 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)C1(O)CCC1)C2 1800452787 ZXJRKCXRUQUYHV-GUIRCDHDSA-N 320.389 -0.240 30 20 DBED C#CC(=O)N1CC[C@@H](CNC(=O)[C@@H](N)CN)[C@@H]1c1cccnc1 1808270903 OGLRAEIEKXEGPR-YDHLFZDLSA-N 315.377 -0.993 30 20 DBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc[nH]1)CCO2 1834106279 NXUSXFVJZGWGEN-HNNXBMFYSA-N 318.333 -0.887 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(CC(=O)N[C@@H](C)CC)CC1 124286481 PLBOSJROQINSMY-UONOGXRCSA-N 308.426 -0.343 30 20 DBED C=CCCS(=O)(=O)N1CCC[C@@H](N2CCNCC2=O)C1 186121989 YZJBGHHGCVKWRR-GFCCVEGCSA-N 301.412 -0.212 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C(=O)OC)C2CC2)C1=O 267858896 XVJOAZGWBTZLRF-JTQLQIEISA-N 323.305 -0.969 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)NCCn1cc([N+](=O)[O-])cn1 281737989 HGNLMGKHSFOCCH-SECBINFHSA-N 316.343 -0.283 30 20 DBED CCO[C@@H]1C[C@H](NC(=O)NCCn2cnc(C#N)n2)[C@H]1OC 286984245 GTVZNAHBNKNIRT-HOSYDEDBSA-N 308.342 -0.359 30 20 DBED N#Cc1ccc(S(=O)(=O)CCN2CCOC[C@H]2C#N)nc1 290058873 VLZZCQDWCYSUBS-GFCCVEGCSA-N 306.347 -0.049 30 20 DBED CS(=O)(=O)NCCNS(=O)(=O)c1ccc(C#N)c(F)c1 293015542 OJDZQSRIIAILCX-UHFFFAOYSA-N 321.355 -0.475 30 20 DBED O=C([C@H]1CC[C@@H](/C(O)=N/[C@@H]2[C@H]3COC[C@H]32)O1)N1CCOCC1 329532665 XLJWFRQAVMDKNX-OBPIAQAESA-N 310.350 -0.006 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N1CCN(CCCO)CC1 330411414 LGLBWXROLALBLL-GFCCVEGCSA-N 304.416 -0.535 30 20 DBED CCS(=O)(=O)N(C)CCC/N=C(/O)N1CCNC(=O)[C@H]1C 330663921 XWSTVFNVEIZIJK-SNVBAGLBSA-N 320.415 -0.608 30 20 DBED CCNC(=O)C1(CNS(=O)(=O)N(C)CCC#N)CCC1 332014644 HMAJVKCNDSJHQW-UHFFFAOYSA-N 302.400 -0.027 30 20 DBED COCCN(CCC#N)S(=O)(=O)NCCNC(=O)C1CC1 336880946 AMMQKIUEHDXGQL-UHFFFAOYSA-N 318.399 -0.791 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)NC[C@H]1CC[C@H](C(N)=O)O1 337764432 LTWIEXSDPYDOGW-OPRDCNLKSA-N 304.372 -0.912 30 20 DBED N#CCNC(=O)CNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 343498813 BTTAJPBBAASKKQ-UHFFFAOYSA-N 319.277 -0.919 30 20 DBED N#CCNC(=O)CNC(=O)c1cn(Cc2cccc(F)c2)nn1 343559313 WCGLNVYBEZEOBE-UHFFFAOYSA-N 316.296 -0.165 30 20 DBED Cc1cc(S(=O)(=O)NCC(=O)NCC#N)ccc1[N+](=O)[O-] 352527982 HRNSDPWORAFYEM-UHFFFAOYSA-N 312.307 -0.179 30 20 DBED N#CCNC(=O)CNS(=O)(=O)c1c(F)cc(C#N)cc1F 352530415 NZAFDRIPHBPILZ-UHFFFAOYSA-N 314.273 -0.245 30 20 DBED C=C[C@H](CO)NC(=O)NCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 358910157 YMHFNBNRUBGMBJ-WJTVCTBASA-N 319.361 -0.360 30 20 DBED CN(CCC#N)S(=O)(=O)N1CC[C@H](N2CCCC2=O)C1 360132123 ODQOHIIPZPHJDA-NSHDSACASA-N 300.384 -0.227 30 20 DBED C[C@@H](NC(=O)c1n[nH]c2ccccc12)C(=O)NCC#CCO 412325201 SZWNPYXDDOJVNW-SNVBAGLBSA-N 300.318 -0.207 30 20 DBED CCS(=O)(=O)N(C)CCCNC(=O)[C@@H](N)CCCC#N 424092217 GIYXZVVZFZQOHM-NSHDSACASA-N 304.416 -0.205 30 20 DBED CCN(CCC#N)C(=O)CN1CCC([C@H](O)C(=O)OC)CC1 441261054 NFPQEFWAPCHWRK-AWEZNQCLSA-N 311.382 -0.006 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@@H](OC)C(=O)OC 490533370 DQTIYNADLJSPHA-NXEZZACHSA-N 307.372 -0.510 30 20 DBED C#CCN(C)CCCNC(=O)C(=O)Nc1ccn(CCC#N)n1 491209357 GBEHXPPPLRZYKF-UHFFFAOYSA-N 316.365 -0.193 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@H](C)c2ccnn2C)CC1 491474250 LGHZBXWSJUFZQT-CYBMUJFWSA-N 317.393 -0.583 30 20 DBED CN(CCC#N)C[C@@H](O)CNCCN1CCC(N(C)C)CC1 521227333 DRONAJJASCAIAD-INIZCTEOSA-N 311.474 -0.192 30 20 DBED N#CCCCCNC(=O)c1nc(N)nc(N2CCOCC2)n1 568771418 UDPGEVJUFVFBBU-UHFFFAOYSA-N 305.342 -0.286 30 20 DBED CN1CCN(CCCS(=O)(=O)N2CC[C@@](F)(C#N)C2)CC1 601400586 UTGAWSTUFUTCPI-CYBMUJFWSA-N 318.418 -0.109 30 20 DBED CNC[C@@H]1CCCN1C(=O)C(=O)N1CCN(CCC#N)CC1 601584245 TUXKOTKGBLGZCD-ZDUSSCGKSA-N 307.398 -0.745 30 20 DBED C=CCC[C@H](CO)NC(=O)C(=O)Nc1ccnc(OCCO)c1 657995269 DIECCPLKMVDRKC-GFCCVEGCSA-N 323.349 -0.166 30 20 DBED N#CCNC(=O)COC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 731234883 KTXLJDKSSKKMDV-UHFFFAOYSA-N 320.261 -0.492 30 20 DBED NC(=O)CNC(=S)NN=Cc1ccccc1OCC(=O)O 731928393 OTFNCQLZUIUUTP-UHFFFAOYSA-N 310.335 -0.567 30 20 DBED C#CCNC(=O)COC(=O)c1coc(S(=O)(=O)NC)c1 756405889 RZKCZEBLCZRGFD-UHFFFAOYSA-N 300.292 -0.906 30 20 DBED C#C[C@@H](NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C)[C@H]1CCCO1 774249959 NUNKOKODBOXNSL-LXTVHRRPSA-N 319.405 -0.022 30 20 DBED CS(=O)(=O)N1CCC[C@@H]1C(=O)NCc1ccc(C#N)cn1 782027174 IXTPTJYYWZSEOS-GFCCVEGCSA-N 308.363 -0.007 30 20 DBED COC[C@H](C#N)OC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 785024417 LUIZKCPJNTYTJA-VIFPVBQESA-N 323.330 -0.193 30 20 DBED CCOC(=O)CON=C(C(=O)NCC1(CO)CC1)c1cc[nH]n1 789988539 IEMOHLUODUAODV-UHFFFAOYSA-N 324.337 -0.418 30 20 DBED C=CCN1CC[C@H](N(C)CN2C(=O)N[C@@](C)(COC)C2=O)C1=O 799143134 GEXCHLCOFZZVFO-NHYWBVRUSA-N 324.381 -0.381 30 20 DBED C#C[C@H](NC(=O)C(=O)NCCN(CC)C1CC1)[C@@H]1CCCO1 804224092 WXNNYBCEICOWGA-KBPBESRZSA-N 307.394 -0.116 30 20 DBED C#CC1CCN(C(=O)CNS(=O)(=O)c2cnn(C)c2)CC1 814280247 CFBBIAKKLHHHJX-UHFFFAOYSA-N 310.379 -0.430 30 20 DBED C#CCNC(=O)c1ccc(N2C[C@H](O)C[C@@H](C(=O)OC)C2)nc1 826817215 SLYQAEIGACSKCV-CHWSQXEVSA-N 317.345 -0.195 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NN1C(=O)[C@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C1=O 828650894 QCUDXWLAXJKWFO-MCNAKINOSA-N 304.302 -0.453 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCN[C@@H](C(C)C)C1)[C@H]1CCCO1 842164501 WBRXPKZLOHRAOC-BFHYXJOUSA-N 307.394 -0.260 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(F)(F)C(=O)N2CCOCC2)C1 843311230 SSOXWVGHNKRKGQ-LBPRGKRZSA-N 317.292 -0.642 30 20 DBED C#CCNC(=O)COC(=O)[C@H]1CNC(=O)C[C@@H]1C(F)(F)F 873456421 OCUZBCFIJDOBLA-YUMQZZPRSA-N 306.240 -0.406 30 20 DBED C#CC[C@H](CCOC)NC(=O)[C@@H]1CCCN1S(C)(=O)=O 876075962 YZQCASFNZYZNEA-NEPJUHHUSA-N 302.396 -0.045 30 20 DBED CC(=O)N1C[C@H]2CN(S(=O)(=O)N(C)CCC#N)C[C@H]2C1 882635663 JOBLKFVNGVNPSZ-TXEJJXNPSA-N 300.384 -0.513 30 20 DBED CS(=O)(=O)N1CC(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1 900673588 UTYJFSYJOFPCKR-GFCCVEGCSA-N 312.395 -0.923 30 20 DBED C=C[C@@](C)(O)C(=O)N1CCN(C(=O)C(=O)OC(C)(C)C)CC1 911817848 SMYUQZJZPXRDIT-OAHLLOKOSA-N 312.366 -0.064 30 20 DBED CN(C)CC#CCNC(=O)C[C@@H](O)CNC(=O)OC(C)(C)C 913524138 AWQNPHKIANZGLC-GFCCVEGCSA-N 313.398 -0.057 30 20 DBED CCN1CCOC[C@H]1C(=O)N1CCCN(C(=O)[C@H](C)C#N)CC1 941526086 AELXPODIBBKWHC-KGLIPLIRSA-N 322.409 -0.072 30 20 DBED C[C@@H]1CN(CC#N)CC[C@@H]1NC(=O)CN1CCN(C)C(=O)C1 942201391 VAMVCDMTZZYUCM-OLZOCXBDSA-N 307.398 -0.889 30 20 DBED C#CCN1CCOC2(CCN(C(=O)[C@H]3CCCC(=O)N3)CC2)C1 949391548 HZELCLPROFKOHV-CQSZACIVSA-N 319.405 -0.018 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(CC(=O)N2CCC2)CC1 950590750 WRDIKYRSFDHMDK-KGLIPLIRSA-N 307.394 -0.046 30 20 DBED C[C@@H](C#N)C(=O)N1CC(N(C)C(=O)[C@@H]2CCc3nn[nH]c3C2)C1 954831164 IMQHUMZGQHUXEP-VHSXEESVSA-N 316.365 -0.262 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2CCN(C(=O)C(N)=O)[C@@H](C)C2)c1 955808806 KPVCTWNMKSPRBJ-GXFFZTMASA-N 314.345 -0.343 30 20 DBED Cn1nnc2cc(C(=O)NC[C@@H]3CN(CC#N)C[C@H]3O)ccc21 958184051 UFQZJQCZCDFWME-BXUZGUMPSA-N 314.349 -0.486 30 20 DBED C=CCCN1C[C@H](O)[C@H](CNC(=O)c2cnc(O)n(C)c2=O)C1 958317582 ZRAOVQFRTVNQPO-PWSUYJOCSA-N 322.365 -0.916 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2cn(CC3CC3)nn2)C1 958524585 AMZNBJIZHJJUHQ-TZMCWYRMSA-N 303.366 -0.656 30 20 DBED C#CCN1C[C@H](CNC(=O)c2c(C)nn3cccnc23)[C@@H](O)C1 958692428 AFLIGIKNWBQVTG-STQMWFEESA-N 313.361 -0.307 30 20 DBED CSCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]c(C#N)c2)C1 958828729 RWHHSBQWFNOQSM-RYUDHWBXSA-N 322.390 -0.107 30 20 DBED C[C@H](NC(=O)c1ccc(C#N)[nH]1)[C@@H]1CCN(C(=O)C(N)=O)C1 959259234 ZXHODQBMEKJYNE-DTWKUNHWSA-N 303.322 -0.662 30 20 DBED C#CCN1C[C@H]2[C@H](NC(=O)c3ccc(S(N)(=O)=O)o3)[C@H]2C1 960776247 QPGRNHGHEHWGNU-GDGBQDQQSA-N 309.347 -0.780 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2[C@@H]3CN(C(=O)c4nc[nH]n4)C[C@@H]32)[nH]1 976363328 SPCIEVZMZYTPLL-JZYVYDRUSA-N 311.305 -0.495 30 20 DBED NC(=O)[C@@H]1CC[C@@H]1C(=O)N[C@H]1[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]21 976944672 IOZUYDBBFBYOEP-JYKNGBAOSA-N 315.373 -0.516 30 20 DBED CNC(=O)[C@H](C)N1C[C@H]2[C@H](CNC(=O)c3ccc(C#N)[nH]3)[C@H]2C1 978028404 DWYOSENCOWKPDF-XYJRDEOASA-N 315.377 -0.072 30 20 DBED C#CCN1C[C@H]2[C@H](CNC(=O)[C@H]3CCc4nnc(O)n4C3)[C@H]2C1 978410154 OBZJAJLXCLQOQG-ZDEQEGDKSA-N 315.377 -0.527 30 20 DBED N#CCN[C@@H]1CCC[C@H](NC(=O)Cn2ccc(O)nc2=O)C1 981205222 DXFLTZFAWIJOHB-MNOVXSKESA-N 305.338 -0.511 30 20 DBED C=CCn1cc(C(=O)N2CC[C@@H](NC(=O)CC)[C@@H](O)C2)nn1 991139396 OKWSJTMTYSKVNF-PWSUYJOCSA-N 307.354 -0.434 30 20 DBED N#CCN[C@@H]1CCC[C@H]2CN(C(=O)CN3C(=O)CCC3=O)C[C@@H]21 992916301 NKINRBAOFMEQCU-RWMBFGLXSA-N 318.377 -0.124 30 20 DBED NC(=O)c1ccnc(C(=O)NC2CN(C(=O)C#CC3CC3)C2)c1 995327536 YXFKLFVMOGPDNP-UHFFFAOYSA-N 312.329 -0.466 30 20 DBED CC(=O)N1CCOC[C@@H]1C(=O)N[C@H](C)C1CCN(CC#N)CC1 997436108 PHNHXPODXWTPNS-IUODEOHRSA-N 322.409 -0.026 30 20 DBED C=CCn1cc(C(=O)NCC2CN(C(=O)c3cn[nH]c3)C2)nn1 1001961187 RANSFDQKLFLONH-UHFFFAOYSA-N 315.337 -0.311 30 20 DBED CC#CCN1CCC(CNC(=O)c2cn(C)c(=O)nc2O)CC1 1002115878 ARDCAGLTDYWHOQ-UHFFFAOYSA-N 318.377 -0.049 30 20 DBED C=CCN1CC[C@H](N2CC[C@H](NC(=O)C3=COCCO3)C2)C1=O 1010019518 HGVIEUBRAWYDGI-STQMWFEESA-N 321.377 -0.148 30 20 DBED C#CCCN1CC[C@@H](NC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1 1015695653 NAVYGLDCFFFTOL-MCIONIFRSA-N 307.394 -0.164 30 20 DBED C[C@H](C#N)C(=O)N1CC=C(CNC(=O)[C@H]2CCC(=O)NC2)CC1 1017560712 LFPQNUFDOYSEQG-YPMHNXCESA-N 318.377 -0.053 30 20 DBED C#CCN[C@H]1CCN(C(=O)c2ccc(OCC(N)=O)cc2)C1 1019115166 RPBYGAWUHIWKMX-ZDUSSCGKSA-N 301.346 -0.012 30 20 DBED C=CCN1[C@H]2CC[C@H]1CC(NC(=O)Cn1ncn(C)c1=O)C2 1021305415 XHEHYBGGSXPGEH-STQMWFEESA-N 305.382 -0.121 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cccc(O)n2)C1 1023295040 WFVDILLIBKYQGE-JMJZKYOTSA-N 304.306 -0.752 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(Cl)no2)C1 1025403852 YYJZZRBRXLHLIG-BWZBUEFSSA-N 312.713 -0.211 30 20 DBED C=C(C)CN(C)[C@H]1CCCN(C(=O)CN2CCNC(=O)C2)C1 1027519060 DIDLGYVBUFRBQZ-AWEZNQCLSA-N 308.426 -0.083 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)Cc3cncnc3)C2)C1=O 1030260266 QXUJQKLLKODSMR-AWEZNQCLSA-N 315.377 -0.394 30 20 DBED C#CCCN1CCCC[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 1034420863 LAXKMUIVAOISIZ-RYUDHWBXSA-N 306.366 -0.422 30 20 DBED Cc1nc[nH]c1C(=O)NC[C@]1(O)CCN(C(=O)C#CC2CC2)C1 1040274386 KYQYAKGXVMJZPO-MRXNPFEDSA-N 316.361 -0.175 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)c2cc[n+]([O-])cc2)C1 1040762362 HNXITCQEGUVSIL-NHYWBVRUSA-N 318.333 -0.827 30 20 DBED N#Cc1cnc(N2C[C@@H](O)[C@H](NC(=O)c3ccccn3)C2)cn1 1040909784 OQLQRRQXGFINOW-CHWSQXEVSA-N 310.317 -0.277 30 20 DBED Cc1nc[nH]c1C(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@H]1O 1041086802 DBQBDQBKEYETMP-DGCLKSJQSA-N 312.333 -0.036 30 20 DBED C=C[C@@](C)(CC)C(=O)N1CC(O)(CNC(=O)CNC(C)=O)C1 1041209873 SBGVEPDNVLFXKC-AWEZNQCLSA-N 311.382 -0.586 30 20 DBED CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)CSCC#N)C1 1041628583 UJOFFWSYHCYFLA-JTQLQIEISA-N 315.395 -0.642 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)c2ccc(C(N)=O)o2)C1 1041956564 QBRVRSBRKBLHBP-UHFFFAOYSA-N 321.333 -0.352 30 20 DBED C[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1NC(=O)c1cnn(C)n1 1042058534 ZQANZMWQMWOHOO-MWLCHTKSSA-N 312.337 -0.269 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)CCc2nccn2C)C1 1045546026 GVLSBKHUUWFLAE-LLVKDONJSA-N 319.365 -0.798 30 20 DBED C=CCCn1cc(C(=O)NC2(C)CCN(CC(N)=O)CC2)nn1 1045580690 MWYGLJMPCBOVRA-UHFFFAOYSA-N 320.397 -0.076 30 20 DBED N#CCN1C[C@H]2C[C@@H](NC(=O)Cn3ccc(O)nc3=O)C[C@H]1C2 1047105410 JFMSFMSYIAZYPJ-QJPTWQEYSA-N 317.349 -0.558 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cn(C3CCC3)nn2)C1 1047384362 YJRYBNHWBXEEDI-KBPBESRZSA-N 303.366 -0.247 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)Cc2cnn(CC)c2)C1 1047592050 CXJSWMMNAZDYCT-GJZGRUSLSA-N 304.394 -0.028 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)C2CCN(C(N)=O)CC2)C1 1047622551 GZGVQKUKRGONSS-STQMWFEESA-N 310.398 -0.533 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cocn2)C1 1048548219 XXXZXSZDGANCTO-WXHSDQCUSA-N 321.333 -0.643 30 20 DBED C#CCN1C[C@H]2CN(C(=O)[C@@]34C[C@H]5C[C@H](C(=O)N3)[C@H]4C5)C[C@H]2C1 1048905121 WGCPUVXJHFUOSR-KOFCLRGJSA-N 313.401 -0.076 30 20 DBED C=CCN1CCC2(CC1)CN(C(=O)c1cn(CC(N)=O)nn1)C2 1050764762 GVDKSRJBRWASSY-UHFFFAOYSA-N 318.381 -0.513 30 20 DBED C=CCCN1CCOC[C@@H]1CNC(=O)[C@H]1CCS(=O)(=O)N1 1051247348 FLJXZARZBBBLNW-NWDGAFQWSA-N 317.411 -0.929 30 20 DBED N#Cc1cnccc1N(CCO)C1CCN(C(=O)C(N)=O)CC1 1051506911 ZRMACKVEQWYKKY-UHFFFAOYSA-N 317.349 -0.772 30 20 DBED C#CCN1CCN([C@@H]2CCN(C(=O)[C@H]3COCCO3)C2)CC1 1051987038 LOKWKDNDNLPYDD-HUUCEWRRSA-N 307.394 -0.747 30 20 DBED C#CCN1CCN([C@@H]2CCN(C(=O)CC3OCCCO3)C2)CC1 1052017444 JAFBWARFMIADRV-OAHLLOKOSA-N 321.421 -0.009 30 20 DBED C#CCN1CCC[C@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)CC1 1052764719 RKPLSXDKYVDPGF-NSHDSACASA-N 320.349 -0.989 30 20 DBED Cn1nccc1[C@@H]1C[C@H]1C(=O)N1CCOC2(CN(CC#N)C2)C1 1053353552 SWPITGMZCOZHNN-CHWSQXEVSA-N 315.377 -0.040 30 20 DBED C#CCN1CC2(CC[C@@H](CNC(=O)[C@@H]3CCCN3C(C)=O)O2)C1 1053692768 SJTHDGJFZDZEFL-GJZGRUSLSA-N 319.405 -0.020 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)[C@H]3CN4CCC3CC4)CO2)C1 1053803614 WTGGAVWKMNWFMH-GJZGRUSLSA-N 303.406 -0.079 30 20 DBED N#Cc1ccc(N2C[C@@H]3C(NC(=O)[C@H]4C[C@H]4C(N)=O)[C@H]3C2)nc1 1056407074 KXQIOSLIMUTYSR-RHYQMDGZSA-N 311.345 -0.375 30 20 DBED C=CCO[C@@H](C)C(=O)N1C[C@@H]2CCCN(C(=O)CC(N)=O)[C@@H]2C1 1056635977 QIHAKFBOUFPXHI-RWMBFGLXSA-N 323.393 -0.098 30 20 DBED CCO[C@H](C)C(=O)N(CCO)CCNC(=O)c1cc(C#N)c[nH]1 1057058443 RXOIEBGTYDAKRT-LLVKDONJSA-N 322.365 -0.138 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCN(CCO)C(=O)C[C@@H](C)OC 1057163498 SOPMIJLKCWWMTL-IUODEOHRSA-N 316.398 -0.324 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)[C@]1(F)CCOC1 1057525458 UNSAGOHSQPGXRW-HNNXBMFYSA-N 314.357 -0.289 30 20 DBED C#CCO[C@H](C)C(=O)N(CCO)CCNC(=O)Cc1ccoc1 1057583470 QQWBPHHLBWTXPR-CYBMUJFWSA-N 322.361 -0.203 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)c1cnc2n1CCC2 1057961475 ZMJRGNCOACZLNP-LLVKDONJSA-N 319.365 -0.460 30 20 DBED N#Cc1cnccc1N1CC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1 1058531558 SMKOBTDTNBQAAT-MNOVXSKESA-N 300.322 -0.670 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)c1cncc(F)c1 1058652771 DVBBKMXBMKIMIT-JTQLQIEISA-N 308.313 -0.069 30 20 DBED CCOc1cc(C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N)[nH]n1 1058659116 SYDDPTFOGDXCBJ-JTQLQIEISA-N 323.353 -0.481 30 20 DBED CCCN1CCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N 1058660780 IJNGXOFOUDMGOO-KBPBESRZSA-N 324.425 -0.042 30 20 DBED Cn1oc(C(=O)N2CC[C@H](N=c3cc[nH]c(C#N)n3)C2)cc1=O 1058855640 HYARLNOEVXQDCI-VIFPVBQESA-N 314.305 -0.612 30 20 DBED CN1C[C@H](C(=O)N[C@H]2C[C@H](Nc3ccc(C#N)nn3)C2)NC1=O 1059365026 UYERUEKNZWQZTR-GMTAPVOTSA-N 315.337 -0.569 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](CCNC(=O)Cn2nccn2)C1 1060286053 ILVARXLIRAQHRE-RYUDHWBXSA-N 304.354 -0.207 30 20 DBED C=CCOCC(=O)N1CCCC[C@@H]1CNC(=O)CNC(C)=O 1062067537 RIAFYYHQSOTBLP-CYBMUJFWSA-N 311.382 -0.178 30 20 DBED Cn1nncc1C(=O)N[C@H]1[C@H]2C[C@H]1N(c1nccnc1C#N)C2 1064250586 HHWBGGJHIASCEM-XRNSZHNASA-N 310.321 -0.516 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)[C@@H]2CCOC2)CCO1 1064935689 WITLKVPQCAAGLX-OLZOCXBDSA-N 312.366 -0.431 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCO[C@@H](CNC(=O)CCOC)C1 1065277895 CDRZKUJFKFAZEP-STQMWFEESA-N 314.382 -0.042 30 20 DBED C[C@@H](Nc1ncccc1C#N)[C@H]1CN(C(=O)C(N)=O)CCO1 1068243396 IYPDNXYKBICLKD-MWLCHTKSSA-N 303.322 -0.534 30 20 DBED N#Cc1ccc(N2C[C@H]3C[C@@H](NC(=O)C(N)=O)CC[C@H]3C2)nn1 1068268145 WVDGPZOAMWMCHY-AXFHLTTASA-N 314.349 -0.445 30 20 DBED C=C[C@H](C)[C@@H](C)C(=O)N1CCOC2(CN(C(=O)CC(N)=O)C2)C1 1068436219 FWYIEYXSNUJLNM-NWDGAFQWSA-N 323.393 -0.240 30 20 DBED COCC(=O)NC[C@@H]1CCC2(CN(C(=O)C#CC3CC3)C2)O1 1068491396 MQSWTYKMWWKNNG-ZDUSSCGKSA-N 306.362 -0.078 30 20 DBED CNC(=O)CC(=O)N[C@H]1COC2(C1)CN(C(=O)C#CC1CC1)C2 1068831440 NLHLYIOKMCKFHZ-GFCCVEGCSA-N 319.361 -0.978 30 20 DBED C=CCOCC(=O)N1CC2(C[C@H](NC(=O)c3cnn[nH]3)CO2)C1 1068920050 SQEAWKKHRSZICN-JTQLQIEISA-N 321.337 -0.893 30 20 DBED Cc1cc(C(=O)N2C[C@H](n3ccnn3)[C@H](NCC#N)C2)n[nH]1 1070152216 PYZMTHDNDMJPFZ-NEPJUHHUSA-N 300.326 -0.512 30 20 DBED N#CCN1CCOC[C@@H]1c1n[nH]c(CNC(=O)c2ccc[nH]2)n1 1070580517 SFBTWVPVPMRGOI-LLVKDONJSA-N 315.337 -0.040 30 20 DBED C=CCOCC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2COC(=O)N2)C1 1070680518 QXUABESBNYTEIT-MNOVXSKESA-N 311.338 -0.595 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC[C@@H](NC(=O)CCNC(N)=O)C1 1070732090 VNMGEAAHLKRMNN-VXGBXAGGSA-N 324.381 -0.810 30 20 DBED N#CCN1C[C@H]2C[C@H]3CN(C(=O)CN4CCCC4)C[C@@]3(C1)O2 1070890859 OSXXHVCWVZHPLV-SQWLQELKSA-N 304.394 -0.093 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](NC(=O)Cn2ncnn2)[C@H](C)C1 1072049994 XNTYPWJHELWWCK-VXGBXAGGSA-N 304.354 -0.704 30 20 DBED C#CCCN1CCCO[C@H](CNC(=O)[C@@H]2CCNC(=O)C2)C1 1073572103 RDMMITYWNYVDQB-ZIAGYGMSSA-N 307.394 -0.257 30 20 DBED CN1C(=O)CCC[C@@H]1C(=O)NC[C@@H]1CN(CC#N)CCCO1 1073873644 GIDWGGGQAFVXRD-CHWSQXEVSA-N 308.382 -0.272 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)CCn3ccnn3)C[C@@H]21 1074225359 DXEDNLIKFGFKJY-KBPBESRZSA-N 303.366 -0.397 30 20 DBED C=CCN1CCO[C@H]2CCN(C(=O)C3CS(=O)(=O)C3)C[C@@H]21 1074248314 DHEZUTWQBPTFFT-STQMWFEESA-N 314.407 -0.481 30 20 DBED C=CCCC(=O)N1CCC(O)(CNC(=O)[C@H]2CCC(=O)N2)CC1 1074510574 JNCCHLFQRSXKAF-GFCCVEGCSA-N 323.393 -0.299 30 20 DBED COCCOCC(=O)N[C@@H](C)CCNC(=O)CSCC#N 1075675750 LTXOOALVOAIBNK-NSHDSACASA-N 317.411 -0.083 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(Cc2nccn2C)C[C@H]1O 1077694079 DRUBQUXBLMYQAD-SYQHCUMBSA-N 320.393 -0.328 30 20 DBED C[C@@H](CCNC(=O)Cc1nc[nH]n1)NC(=O)c1c[nH]c(C#N)c1 1078594291 BNKOGLPOFGILJC-VIFPVBQESA-N 315.337 -0.128 30 20 DBED C=C(C)CCC(=O)NC[C@H]1CN(C(=O)Cc2nc[nH]n2)C[C@H]1O 1081534646 YIMVEJLOFOXQKQ-NWDGAFQWSA-N 321.381 -0.361 30 20 DBED CC(C)C#CC(=O)N1C[C@H](CNC(=O)[C@@H]2[C@H]3COC[C@H]32)[C@@H](O)C1 1081672176 UYOGUQKFNJDHPW-JHZZJYKESA-N 320.389 -0.526 30 20 DBED C#CCN1C[C@@H](NC(=O)C2(N3CCOCC3)CCC2)[C@H](OC)C1 1082283663 YXFDXDWWNXYFAF-HUUCEWRRSA-N 321.421 -0.310 30 20 DBED C=C(C)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1COCCN1C 1083056265 HOCKHRFLHVGHIW-RRFJBIMHSA-N 309.410 -0.195 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cn(CC=C)nn1 1083217738 MLPOVCBXUSALQB-UONOGXRCSA-N 301.350 -0.378 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)c2nc3ncc(C)cn3n2)C1 1083554605 OBGQEKVEVWAJQP-NEPJUHHUSA-N 316.365 -0.216 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCc3nccn3C2)C1 1083581767 IYBHKWZJJZDKFM-MCIONIFRSA-N 302.378 -0.370 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@H]2COCCN2CCCC)C1 1083670857 QLOSDAMJKTUODS-OAGGEKHMSA-N 323.437 -0.328 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CC(=O)N(CCC)C2)C1 1083820850 ITUNRJAXCBLYBJ-MCIONIFRSA-N 309.410 -0.018 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(C[C@@H](C)OC)C[C@@H]2O)cn1 1083970348 QKUZBXSGEZEYFO-DFBGVHRSSA-N 303.362 -0.127 30 20 DBED C#CCCN1CC[C@@H]2CN(C(=O)Cn3ncn(C)c3=O)[C@@H]2C1 1084466806 AMOKNBVAHPYAME-CHWSQXEVSA-N 303.366 -0.862 30 20 DBED CC#CCN1CC[C@H](NC(=O)CN2CCOCC2=O)[C@H]1CC 1087604126 CGLTTYXEGDGNOS-UONOGXRCSA-N 307.394 -0.162 30 20 DBED C=CCN1CC[C@@H](N[C@H]2CCCCCN(C(=O)C(N)=O)C2)C1=O 1088372039 VVRSSVYYRLTDJK-QWHCGFSZSA-N 322.409 -0.381 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2cnn3ccncc23)[C@H](O)C1 1090327943 WBQOPLQVFGFBIO-DZGCQCFKSA-N 313.361 -0.082 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1O 1090445311 HOXPIHLRRZZDMD-CHWSQXEVSA-N 317.349 -0.393 30 20 DBED N#Cc1ccc(F)cc1CN1CC[C@@H](NC(=O)C(N)=O)[C@H](O)C1 1090532072 QQXRXPMPJYZBNT-CHWSQXEVSA-N 320.324 -0.766 30 20 DBED C[C@H](NC(N)=O)C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1C 1090699744 NAFVBRHLHIZVCZ-KXUCPTDWSA-N 317.353 -0.654 30 20 DBED N#CCN1C[C@@H]2CC[C@H](C1)N2C1CCN(C(=O)CC(N)=O)CC1 1093486912 RMFWETHMOMFQHK-OKILXGFUSA-N 319.409 -0.475 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCCNc1nccn2nnnc12 1094131880 FWFDNPZGJAGZSY-ZJUUUORDSA-N 303.326 -0.362 30 20 DBED N#Cc1nccnc1NCCNC(=O)[C@H]1CN2CCC[C@H]2CO1 1094202965 IIRNGBMERVEQKY-WCQYABFASA-N 316.365 -0.260 30 20 DBED C#CCN1CC(n2cc(CNC(=O)[C@H]3CC[C@@H](C)O3)nn2)C1 1094321123 CEXYFDOTHUFDMA-BXUZGUMPSA-N 303.366 -0.048 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)[C@@H]3CCCOCC3)CC2=O)C1 1094734012 PVHQSGHWQLZTAJ-KGLIPLIRSA-N 319.405 -0.162 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CC(=O)N(C3CN(CC(N)=O)C3)C2)C1 1094781939 DRNAOUHEASYVGG-LLVKDONJSA-N 320.393 -0.771 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)[C@H]3OCC[C@H]3C)CC2=O)C1 1094787302 RJONDXOCSBHFJB-JMSVASOKSA-N 307.394 -0.001 30 20 DBED C[C@@H](CC(N)=O)C(=O)NC1CCN(c2cncc(C#N)n2)CC1 1095438625 ZDYKTBCHYIZPSC-JTQLQIEISA-N 316.365 -0.055 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCN(c2nc(C)ncc2C)C1 1096360707 PMKBPOKCWGSDDP-CYBMUJFWSA-N 315.377 -0.072 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@H]1CCN(c2nccn3nnnc23)C1 1096393309 KNNXHJAYWCEFPM-QWRGUYRKSA-N 317.353 -0.195 30 20 DBED N#Cc1cccnc1N1C[C@@H]2CC[C@H](C1)N2C(=O)CNC(N)=O 1096882895 UCQZICZLVNMHKH-TXEJJXNPSA-N 314.349 -0.199 30 20 DBED C[C@@H](CNC(=O)c1cc(=O)n(C)cn1)Nc1cncc(C#N)n1 1098362361 CFWGLBXATDMMLU-VIFPVBQESA-N 313.321 -0.328 30 20 DBED C=CCCN(CCO)C1CCN(C(=O)CNC(=O)NC)CC1 1098385739 FPZASGLCGOYAQT-UHFFFAOYSA-N 312.414 -0.223 30 20 DBED CC(=O)N(C)CC(=O)N1CC[C@H](CN=c2cc[nH]c(C#N)n2)C1 1098508438 PHJHIPZQGSQKPQ-GFCCVEGCSA-N 316.365 -0.491 30 20 DBED C=CCOCC(=O)N1CC[C@@H](CNc2nccn3nnnc23)C1 1098513633 SERSPUJZEHITOG-NSHDSACASA-N 317.353 -0.018 30 20 DBED C#CCNC(=O)CC(=O)NCCN(C)c1cc(OCC)ncn1 1100037719 PKKMOPPEVPSYHE-UHFFFAOYSA-N 319.365 -0.433 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)c2nccs2)[C@@H](O)C1 1100044364 VINIMPJDBCRSFK-QWRGUYRKSA-N 324.406 -0.390 30 20 DBED C#CCCN1CC[C@@H](NC(=O)C(C)(C)NC(=O)NC)[C@H](O)C1 1100127153 TYNRZOXUSITRHO-VXGBXAGGSA-N 310.398 -0.731 30 20 DBED CN1C[C@@H](C(=O)NCCN(C)c2cncc(C#N)n2)CC1=O 1100384030 WXCFSAXDCSXIQB-JTQLQIEISA-N 302.338 -0.621 30 20 DBED CNC(=O)NCC(=O)NC[C@H]1CCCN1c1cnc(C#N)cn1 1100914914 DYAWFZDGOPLNQI-LLVKDONJSA-N 317.353 -0.638 30 20 DBED COCCOCC(=O)NC[C@H]1CCN(c2cncc(C#N)n2)C1 1100950370 SEIAVQMGUMZPBH-GFCCVEGCSA-N 319.365 -0.046 30 20 DBED CNC(=O)NCC(=O)NC[C@H]1CCN(c2ncccc2C#N)C1 1101066256 QBJCNWILNYFDEA-LLVKDONJSA-N 316.365 -0.175 30 20 DBED N#Cc1cccnc1N(CCNC(=O)Cn1cnnn1)C1CC1 1101281142 KSEHXAKHZPSKJK-UHFFFAOYSA-N 312.337 -0.275 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)[C@]1(C)CCC(=O)N1 1104198246 MCCLTUXFBUUZBO-BONVTDFDSA-N 316.365 -0.397 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](C)N(C)C(=O)CNC(N)=O)n1 1104451920 BJSZUFUPTKNXSZ-SECBINFHSA-N 305.342 -0.416 30 20 DBED CC(=O)N1C[C@@]2(C[C@@H](O)[C@H](NCC(=O)NCC#N)C2)[C@@H]1C(C)C 1105587968 PPKJUJPEKRUFMI-LUYZLQTOSA-N 322.409 -0.388 30 20 DBED COCCOCC(=O)NC[C@H](O)CNc1ncccc1C#N 1105773960 ODSZABJJAFZRKV-LBPRGKRZSA-N 308.338 -0.495 30 20 DBED Cc1nnccc1C(=O)NC[C@H](O)CN=c1cc[nH]cc1C#N 1106173389 PXYKALMHXZYILN-GFCCVEGCSA-N 312.333 -0.324 30 20 DBED C[C@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)C1=COCCO1 1106191193 KUEGCNVUFMILKF-SNVBAGLBSA-N 303.322 -0.035 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNc1ccc(C#N)nn1 1106285670 VSPFXVYXSLSQBW-NSHDSACASA-N 314.349 -0.206 30 20 DBED CC(C)C#CC(=O)NC[C@@]1(C)CN(CC(=O)NCC#N)CCO1 1107926539 JNVMTLWUWYGGSR-INIZCTEOSA-N 320.393 -0.507 30 20 DBED C[C@H](CNc1ccc(C#N)nn1)NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 1108105401 DWRLIOBQPTWEGT-DVVUODLYSA-N 318.337 -0.702 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)[C@H]2CCCCC(=O)N2)C1 1108207809 RPJCUTHVKFABRV-CJNGLKHVSA-N 307.394 -0.115 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)CC[C@H](C)OC)CC2=O)C1 1108537773 VDSWZASAUWRWOI-STQMWFEESA-N 307.394 -0.164 30 20 DBED C#CCCN1CC(N2C[C@@H](NC(=O)[C@H](CC)N(C)C)CC2=O)C1 1108578190 XVHJOHCXQXEGMH-ZFWWWQNUSA-N 320.437 -0.249 30 20 DBED CNC(=O)CC(=O)N[C@@H](C)CN(C)c1nc(C)cc(C#N)n1 1108950331 VQAYWZLUAGAGFR-JTQLQIEISA-N 304.354 -0.266 30 20 DBED Cc1cc(N(C)C[C@H](C)NC(=O)Cn2ncnn2)c(C#N)cn1 1109119183 RRFREYRRQOEYOM-NSHDSACASA-N 314.353 -0.111 30 20 DBED C[C@H](CN(C)c1cnc(C#N)cn1)NC(=O)[C@@H]1CN(C)C(=O)N1 1109193127 AICMJTYZRZDFPB-KOLCDFICSA-N 317.353 -0.687 30 20 DBED Cc1cc(C#N)nc(NCCCN(C)C(=O)Cn2cnnn2)n1 1109375064 LTKMRZFGOLULMD-UHFFFAOYSA-N 315.341 -0.396 30 20 DBED C=CCOCC(=O)N(C)CCCNc1nccn2nnnc12 1109391698 WIBLWCTXONIQMG-UHFFFAOYSA-N 305.342 -0.018 30 20 DBED COC(=O)NCC(=O)N[C@H]1[C@H]2C[C@H]1N(c1cncc(C#N)n1)C2 1109685017 ZVBUUGZZTUWKEE-PLMOITTCSA-N 316.321 -0.602 30 20 DBED O=C(C#CC1CC1)N[C@@H]1[C@H]2C[C@H]1N(c1nccn3nnnc13)C2 1109700910 DYSKNJXKNQCNPI-DMDPSCGWSA-N 309.333 -0.374 30 20 DBED CO[C@H](C)C(=O)N(CCO)CCN=c1cc(C)[nH]cc1C#N 1111434845 JKEFONVJBLDDCS-GFCCVEGCSA-N 306.366 -0.049 30 20 DBED C[C@@H](CC(N)=O)C(=O)N(CCO)CCNc1nccnc1C#N 1111535609 UWNGGRQHEIZOIC-JTQLQIEISA-N 320.353 -0.907 30 20 DBED COC(=O)NCC(=O)N1C[C@@H](C)[C@@H](Nc2nccnc2C#N)C1 1112298098 ODANUAGFLKKHMJ-KOLCDFICSA-N 318.337 -0.037 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)Cn2cccn2)CC1 1112611257 PFHCHTUCLHPRCG-CYBMUJFWSA-N 305.382 -0.282 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)Cn2cc(C)cn2)CC1 1112657799 YXURONLXMCLFTA-AWEZNQCLSA-N 317.393 -0.526 30 20 DBED CCOCCC(=O)NC[C@H]1CN(c2nccnc2C#N)C[C@@H]1O 1112701265 FSTPWUDBEDOWHS-AAEUAGOBSA-N 319.365 -0.312 30 20 DBED CN(C)CCC(=O)NC[C@H]1CN(c2ccncc2C#N)C[C@@H]1O 1112756032 SYBLCEPQYNKTCK-ZFWWWQNUSA-N 317.393 -0.182 30 20 DBED C#CCCCC(=O)N1CCN(CCNS(C)(=O)=O)CC1 1112809555 KTVSPCWXLSSSIB-UHFFFAOYSA-N 301.412 -0.517 30 20 DBED COCC#CCN1CCN(C(=O)c2ccnc3[nH]nnc23)CC1 1113088089 JSPDZQYZJPAHDY-UHFFFAOYSA-N 314.349 -0.240 30 20 DBED Cc1nsc(N(C)[C@H](C)CNC(=O)[C@H]2CNC(=O)N2)c1C#N 1113869509 NYPWXNODGBEYRD-GMSGAONNSA-N 322.394 -0.055 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)c3cnns3)[C@H]2C1 1113945102 PERZYPNSPTVHIE-SVDPJWKOSA-N 321.406 -0.111 30 20 DBED CCCC[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)CC(N)=O 1114238337 GSWYTJFVGJHOPB-JTQLQIEISA-N 304.354 -0.268 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)CC3=CCOCC3)[C@H]2C1 1114777122 YAHYEBLMDWINGY-KBPBESRZSA-N 317.389 -0.481 30 20 DBED C[C@H](CCCNc1ccc(C#N)nn1)NC(=O)[C@H]1CNC(=O)N1 1115062501 UPYJBGHEDMJKEB-MWLCHTKSSA-N 317.353 -0.274 30 20 DBED COCC#CCN1C[C@@H]2C(NC(=O)CCc3cn(C)nn3)[C@H]2C1 1115359400 XAYKVENAHWTKTI-KBPBESRZSA-N 317.393 -0.556 30 20 DBED COCCN1CCC(NC(=O)C(=O)N2CCC(C#N)CC2)CC1 1117092943 ZYZRLIZTTMKNHE-UHFFFAOYSA-N 322.409 -0.024 30 20 DBED N#C[C@H]1CC[C@@H](NC(=O)C(=O)NCC2(N3CCOCC3)CC2)C1 1118117585 XSWJYHFZJUGTSB-QWHCGFSZSA-N 320.393 -0.224 30 20 DBED C=CCN1C(=O)C(=O)N(Cc2nc([C@H](C)CNC)no2)C1=O 1118181202 VAUJFHQKQNIQKA-MRVPVSSYSA-N 307.310 -0.131 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N1CC[C@](O)(C2CC2)C1 1118539386 NYUDHUNWUDDXPQ-MRXNPFEDSA-N 308.378 -0.142 30 20 DBED C#CCCCNC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 1118686661 TYELCTOYWDBQJN-CQSZACIVSA-N 307.394 -0.115 30 20 DBED C[C@H](CN(C)C(=O)Cn1ncnn1)Nc1cnc(C#N)cn1 1120128068 GCYGIRXSNOYKHF-SECBINFHSA-N 301.314 -0.706 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)c2ccc(O)nn2)cn1 1121176979 CAMFPCXEAZUXEW-NSHDSACASA-N 314.305 -0.348 30 20 DBED Cc1nccc(C(=O)NC[C@H](CO)Nc2cncc(C#N)n2)n1 1121657478 CAENGSUXKHEDPZ-LLVKDONJSA-N 313.321 -0.351 30 20 DBED C[C@H]1[C@H](NC(=O)CNC(N)=O)CCCN1c1ccc(C#N)nn1 1123515548 XWBMVYMWYAYMEW-GXSJLCMTSA-N 317.353 -0.510 30 20 DBED CN(C[C@@H](O)CNc1nccnc1C#N)C(=O)c1nc[nH]n1 1124460214 IXNMMVHJOYXTMS-QMMMGPOBSA-N 302.298 -0.989 30 20 DBED C=CCOCC(=O)NCCN[C@H](C)C(=O)NC(=O)NC(C)C 1124772903 LMRCODMTXYMJQY-LLVKDONJSA-N 314.386 -0.483 30 20 DBED CN(C[C@@H](O)CNc1ccc(C#N)cn1)C(=O)c1cnn[nH]1 1124898312 XSSJDMQGJDKALJ-JTQLQIEISA-N 301.310 -0.384 30 20 DBED C=CCC[C@@H](C)NCCNC(=O)CN(C)S(=O)(=O)N(C)C 1127099079 HVQLVHCMEKMETE-GFCCVEGCSA-N 320.459 -0.215 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@H](C)CCOC)C[C@@H]1n1ccnn1 1130129516 LPCCUEPGDYJYEA-MCIONIFRSA-N 305.382 -0.075 30 20 DBED C#CCNC(=O)CNCCNC(=O)Cc1nc(C)sc1C 1130273347 QVLOAMUHEIMMDD-UHFFFAOYSA-N 308.407 -0.242 30 20 DBED C=C(C)CCN1C[C@H]2C[C@H]3CN(C(=O)CNC(N)=O)C[C@@]3(C1)O2 1131177137 FVZIGNFKOPLCSM-WOSRLPQWSA-N 322.409 -0.077 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)Cc1ccc(O)nc1 1131455628 CBWFDEBNWMBCGQ-LLVKDONJSA-N 304.350 -0.827 30 20 DBED C=CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)CN1CCCC1=O 1133633157 OMMJIZGHOSGOGC-CHWSQXEVSA-N 324.425 -0.216 30 20 DBED CC#CCN[C@H](C)C[C@@H](C)NC(=O)Cn1ccc(=O)n(C)c1=O 1134541569 TWBMGXIHVMBOGZ-CHWSQXEVSA-N 320.393 -0.557 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)NCCNCC(=O)N(C)CC 1134812826 RFSMAYFLDVLKCN-CYBMUJFWSA-N 312.414 -0.359 30 20 DBED CC(C)NC(=O)CN(C)CC(=O)N[C@@H](C)C[C@H](C)NCC#N 1134839755 PAGVACVZFSLNSX-STQMWFEESA-N 311.430 -0.161 30 20 DBED N#CCNC(=O)CNCCNC(=O)[C@H]1CCC[C@@H]2CCCN21 1135093140 ITYIUGGQCGIYBG-CHWSQXEVSA-N 307.398 -0.651 30 20 DBED C=CCC[C@H](C)NCCNC(=O)[C@@H](CCC(N)=O)NC(C)=O 1135384594 ICNUSOWNTHGGLZ-WCQYABFASA-N 312.414 -0.183 30 20 DBED C#CCOc1ncccc1C(=O)NCCN[C@@H](C)C(=O)N(C)C 1148302457 MSAXENPGOTXSTP-LBPRGKRZSA-N 318.377 -0.110 30 20 DBED C#CCN1CCC2(C1)CN(C(=O)COCc1ncnn1C)C2 1148524218 AFBGEXKJMUASAX-UHFFFAOYSA-N 303.366 -0.501 30 20 DBED C=CCNC(=O)[C@H](C)N1CCCO[C@H](CNC(=O)COC)C1 1148951818 WRUYCYNMULUTDN-QWHCGFSZSA-N 313.398 -0.469 30 20 DBED CC#CCN1CCCO[C@H](CNC(=O)CN2CCCC2=O)C1 1149159684 JRIAWDSVSNCPKC-CQSZACIVSA-N 307.394 -0.161 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)CCC(=O)N(CC)CC 1151974394 XMSRPGFDPALJMO-CYBMUJFWSA-N 324.425 -0.521 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)NCCNCc1ncccn1 1152398526 BMRPQSCNWACSDO-UHFFFAOYSA-N 320.397 -0.054 30 20 DBED C=CCCOCC(=O)NCCNCC(=O)NC[C@H]1CCOC1 1153091316 KBADDLIJRJZNEL-CYBMUJFWSA-N 313.398 -0.562 30 20 DBED C=CCO[C@H](C)C(=O)NCCNC[C@@H]1CCS(=O)(=O)C1 1153148838 MXFAEBPQUMDNNC-NEPJUHHUSA-N 304.412 -0.282 30 20 DBED C=C[C@H](CC)CC(=O)NCCCNCC(=O)N1CCNC(=O)C1 1164323595 IQASDNGKPPOJEV-CYBMUJFWSA-N 324.425 -0.357 30 20 DBED C#CCNCC1(CCNC(=O)[C@@H]2Cc3cncn3C(=O)N2)CC1 1166342247 VDLOSPFMPFFBST-ZDUSSCGKSA-N 315.377 -0.125 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)Cn1ccc(C)n1 1166911982 IFMSFTBUOLBPIJ-CYBMUJFWSA-N 305.382 -0.575 30 20 DBED CCCn1cc(C(=O)NCCCNCC(=O)NCC#N)nn1 1169499050 MKQFOTVQKZNLFO-UHFFFAOYSA-N 307.358 -0.963 30 20 DBED CCCc1cc(C(=O)NCCCNCC(=O)NCC#N)no1 1169893097 NXZUYMVNULYUKC-UHFFFAOYSA-N 307.354 -0.024 30 20 DBED C=CCN(CC=C)C(=O)CNCCCNC(=O)Cc1nc[nH]n1 1170726285 KLQLQQVYVACSMR-UHFFFAOYSA-N 320.397 -0.356 30 20 DBED C#CCNC[C@@H]1C[C@H]2CC[C@H]1N(C(=O)Cn1cnnc1O)C2 1177706041 MPBKMMDXXINRLI-FRRDWIJNSA-N 303.366 -0.166 30 20 DBED Cc1cc(C(=O)N2CC[C@H](NCC(=O)NCC#N)[C@@H]2C)no1 1178072826 CYNBHHKFGRZGAX-QWRGUYRKSA-N 305.338 -0.185 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)[C@H]2CCCO2)[C@H]1C 1180227011 XXFYHBPNAQFKBP-XDQVBPFNSA-N 307.394 -0.118 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2cnn(C)c2C)C1 1181006564 PCCCLYLCOLXNQK-WCQYABFASA-N 317.393 -0.329 30 20 DBED C=CCOCC(=O)N1CC[C@@H](NC[C@@H](O)Cn2cccn2)C1 1181598049 BXYLHLGFIRZBQG-ZIAGYGMSSA-N 308.382 -0.363 30 20 DBED CC#CCNC[C@@H]1CCN(C(=O)Cn2ncn(C)c2=O)C[C@H]1C 1184684386 OZPSIDXHVJYLBT-KGLIPLIRSA-N 319.409 -0.321 30 20 DBED C#CCCNC[C@@H]1CCN(C(=O)Cn2ncn(C)c2=O)C[C@H]1C 1184684690 SHCHYAOBICPCNZ-KGLIPLIRSA-N 319.409 -0.321 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2cccnc2OC)C1 1185369910 WUGWATFLHNCDOD-GFCCVEGCSA-N 316.361 -0.356 30 20 DBED C#CCNC[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2)CC12CCOCC2 1186299999 AXSIDUCXZIHNAY-ZIAGYGMSSA-N 319.405 -0.257 30 20 DBED C#CCNC[C@H]1CN(C(=O)c2ncn(C)n2)CC12CCOCC2 1186367668 BSRJHEKENKCZQR-ZDUSSCGKSA-N 317.393 -0.093 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3cnccn3)[C@@H]2C1 1186676623 LOBJVBUNWWARLG-GXTWGEPZSA-N 313.361 -0.628 30 20 DBED CN(CC(=O)NCC#N)[C@H]1CCN(C(=O)c2cccc(O)n2)C1 1189528384 WJTJAOGUDOSMPP-NSHDSACASA-N 317.349 -0.427 30 20 DBED C#CCCCCC(=O)N[C@@H]1CN(Cc2nncn2C)C[C@H]1O 1192287828 ATABCZHZZPWBOR-CHWSQXEVSA-N 305.382 -0.330 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C[C@@H](C=C)CC)C1 1195554335 GCXCYJLJONWXEP-BFHYXJOUSA-N 307.394 -0.501 30 20 DBED C[C@@H](OCc1ccncc1)C(=O)N[C@@H]1CN(CC#N)C[C@H]1O 1196300077 RJQHCNRNPIZJEK-MRVWCRGKSA-N 304.350 -0.328 30 20 DBED C=CCC(C)(C)C(=O)N[C@@H]1CN(Cc2nnnn2C)C[C@H]1O 1196469052 PKDABEZVVLJEGB-GHMZBOCLSA-N 308.386 -0.526 30 20 DBED C#CCNC(=O)[C@H](C)N1CCCN(C(=O)c2[nH]nnc2C)CC1 1196710389 CNXBXWDJVGLFNN-LBPRGKRZSA-N 318.381 -0.601 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)Cc2ccon2)CC1 1199904000 KDIHUOMADZVKIQ-UHFFFAOYSA-N 304.350 -0.453 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CCN(C(=O)Cc2cc[nH]n2)CC1 1199929309 YHPDFQIYMDNPBD-GFCCVEGCSA-N 317.393 -0.329 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCC(N[C@@H]2CCC(=O)NC2=O)CC1 1200332601 BOOFSKFIEVDPHQ-WBMJQRKESA-N 323.393 -0.301 30 20 DBED C#CCNC[C@@H]1CN(C(=O)COCc2nncn2C)CCCO1 1201757949 IYEJDEFVOKSFFA-CYBMUJFWSA-N 321.381 -0.828 30 20 DBED C[C@@H]1CN(CCOCCO)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 1206881258 WDFZJPLXDYWWMN-BXUZGUMPSA-N 306.366 -0.055 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2cnnn2C)C[C@H]1C 1206959764 CTCSUVHQBCIULA-TZMCWYRMSA-N 305.382 -0.209 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@H]2COCCO2)C1 1207394389 QQDXBBXDWXNPPD-CHWSQXEVSA-N 311.382 -0.715 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)[C@@H](CC)N(C)C)[C@H](C)C1 1207698311 YEDJNCRPOYUBTA-MGPQQGTHSA-N 308.426 -0.488 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)c2cccnn2)C1 1210254457 OSEDDMASPLMBSG-GFCCVEGCSA-N 303.366 -0.027 30 20 DBED C=CCCN[C@H]1CCCN(C(=O)CNC(=O)Cn2cncn2)C1 1211234097 UHMRVIKPQMANAA-ZDUSSCGKSA-N 320.397 -0.449 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(Cc2ncnn2C)C[C@H]1OC 1212194829 YGGNCIRRQKXDIY-LALPHHSUSA-N 323.397 -0.542 30 20 DBED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)[C@H](C)C1CCC1 1212448333 IXYUFGPORAKQAS-MRVWCRGKSA-N 322.409 -0.122 30 20 DBED C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1NCCOCCO 1214407320 RJTOZCQSFAKYJV-BXUZGUMPSA-N 306.366 -0.055 30 20 DBED CCOCCNC(=O)CN[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C 1214585156 CIWXOSUTPKPMPI-UKRRQHHQSA-N 321.421 -0.011 30 20 DBED CC(F)(F)C(=O)N1CCO[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1217180096 HDANAUKOENHRDT-VHSXEESVSA-N 316.308 -0.807 30 20 DBED CCn1cc(C(=O)N[C@@H]2CN(CC#CCOC)C[C@@H]2O)cn1 1219374007 FFWJJCFASXCUOF-KGLIPLIRSA-N 306.366 -0.672 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CN(CC(=O)N2CCCCCC2)C[C@@H]1O 1219378999 KXNAWSUYFJIKGP-MCIONIFRSA-N 322.409 -0.290 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2cn(C)nc2C)C[C@@H]1O 1221143749 PGBZYQLQEHYYBW-CFVMTHIKSA-N 322.409 -0.019 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC(NC(=O)[C@@H]2CCOC2)CC1 1226395352 UXJPPFKGEZMCQJ-CHWSQXEVSA-N 307.394 -0.259 30 20 DBED N#CCNC(=O)CN1CCC(NC(=O)c2cscn2)CC1 1226555251 UJTSJFKPZBFYKA-UHFFFAOYSA-N 307.379 -0.023 30 20 DBED C=CCN1CCS(=O)(=O)[C@H](CCNC(=O)c2cccnn2)C1 1230512986 ZSQYIRULNPQXEK-GFCCVEGCSA-N 324.406 -0.119 30 20 DBED C=C[C@](C)(O)CC(=O)N(C)C[C@@H]1CCN1Cc1nc(=O)n(C)[nH]1 1233977752 OKXSRTQDJJKTCX-NHYWBVRUSA-N 323.397 -0.532 30 20 DBED C#CCN1CC[C@H]1CN(C)C(=O)CNC(=O)c1ccncc1 1234447340 UXJCZIBPOFYYKT-AWEZNQCLSA-N 300.362 -0.023 30 20 DBED CN1CC[C@]2(CCN(C(=O)C(=O)Nc3cnn(CC#N)c3)C2)C1 1261241789 YOHVLKKCMISETA-HNNXBMFYSA-N 316.365 -0.101 30 20 DBED COC[C@H](O)CN1C[C@@H]2CC[C@H](C1)N2C(=O)CSCC#N 1266478648 QYQJLFSNOLERLR-FRRDWIJNSA-N 313.423 -0.074 30 20 DBED C[C@@H](C(=O)NC1(C#N)CCC1)N1CCN(C(C)(C)C(N)=O)CC1 1321729072 KDQYJOFDRPAPPW-LBPRGKRZSA-N 321.425 -0.181 30 20 DBED CNC(=O)CN1CCC(NS(=O)(=O)CCCCC#N)CC1 1322650057 JHEISHJGWIJLIG-UHFFFAOYSA-N 316.427 -0.190 30 20 DBED COC[C@@H](O)CN1CC[C@@](C)(NC(=O)CSCC#N)C1 1324574172 QCVMOPZQSXOUBF-WCQYABFASA-N 301.412 -0.169 30 20 DBED N#CCNC(=O)CNC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 1326478352 BCGRYHOWQQWYNG-LLVKDONJSA-N 315.333 -0.814 30 20 DBED C=CCn1cc(CNC(=O)C(=O)NCCc2nccs2)nn1 1328080972 VGFNGMJDDLZLRY-UHFFFAOYSA-N 320.378 -0.104 30 20 DBED N#CC1CCN(C(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)CC1 1329698600 PWDOPUKFHDNNSC-HBJVGIJOSA-N 317.345 -0.089 30 20 DBED C#CCN(C)CCCNC(=O)NC1CCN(CC(=O)O)CC1 1332349213 YQKLXIUXFMZUSQ-UHFFFAOYSA-N 310.398 -0.210 30 20 DBED C=CCCOCCn1nnnc1N1CCO[C@H](CNC(C)=O)C1 1335530196 SVYDGRPJFJPNNU-CYBMUJFWSA-N 324.385 -0.393 30 20 DBED C#CCN(C)CCCNC(=O)[C@H]1CC(c2cnn(C)c2)=NO1 1339010613 HZMWLMLTCDMAIY-CQSZACIVSA-N 303.366 -0.016 30 20 DBED COCc1cccc(NC(=O)C(=O)NCC(=O)NCC#N)c1 1342540573 YGNXWNZUCOMGNF-UHFFFAOYSA-N 304.306 -0.473 30 20 DBED C=CCNC(=O)CNC[C@H](O)CN1C(=O)c2ccccc2C1=O 1353301810 UTUJDOPIADUPGP-NSHDSACASA-N 317.345 -0.465 30 20 DBED C#CC[C@@H]1NC(=O)N(CCS(=O)(=O)C2CCOCC2)C1=O 1354269955 KTUPGUCCRWHROC-NSHDSACASA-N 314.363 -0.476 30 20 DBED Cc1ccnn1CC(=O)NCCn1cc(C#N)c(O)nc1=O 1363485745 YTXWBPJEQIQLHL-UHFFFAOYSA-N 302.294 -0.858 30 20 DBED COC(=O)[C@@](C)(CO)NS(=O)(=O)c1ccc(F)c(C#N)c1 1364003260 QLVCJOKGDIJFFT-GFCCVEGCSA-N 316.310 -0.100 30 20 DBED CCOC(=O)CC1(NS(=O)(=O)N(C)[C@H](C)CC#N)COC1 1365006560 TULXAKXHGUQGRH-SNVBAGLBSA-N 319.383 -0.223 30 20 DBED CNS(=O)(=O)N1CCN(C[C@@H](O)c2ccc(C#N)cc2)CC1 1365305294 UPZXLGKFRQLXTH-CQSZACIVSA-N 324.406 -0.327 30 20 DBED C=C(Cl)CNC[C@H](O)CNC(=O)[C@@H](OC)c1cnn(C)c1 1367614364 VARHFIKDBFVYMR-RYUDHWBXSA-N 316.789 -0.073 30 20 DBED CCn1nncc1C(=O)NCCN(CCOC)C(=O)[C@H](C)C#N 1371132681 FWLJEXXRCHTWAS-LLVKDONJSA-N 322.369 -0.338 30 20 DBED CCCN(CCNC(=O)[C@H]1CC(=O)N(C)C1)C(=O)[C@H](C)C#N 1374136207 OVQVKEZXQRMHIV-NEPJUHHUSA-N 308.382 -0.021 30 20 DBED C=C(Cl)CNC[C@H](O)CNC(=O)c1ccnc(OC)n1 1392394054 SSPGNQKFWNFGSP-VIFPVBQESA-N 300.746 -0.082 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CCN(C(=O)c2c[nH]c(C(N)=O)c2)C1 1408386755 RVCOMJDVHIELOI-ZJUUUORDSA-N 317.349 -0.148 30 20 DBED C[C@@H](C#N)C(=O)NCC1CN(C(=O)Cn2ccccc2=O)C1 1409175564 DPRJERKTTJDXOE-NSHDSACASA-N 302.334 -0.417 30 20 DBED C[C@H](C#N)C(=O)NC[C@]1(C)CCN(C(=O)CCn2cnnn2)C1 1417393911 YJZDVKCBKCURCO-RISCZKNCSA-N 319.369 -0.422 30 20 DBED COCCN(CCC#N)C(=O)C1=CN(C)S(=O)(=O)N=C1C 1417632869 PCONHSGDNCPVKL-UHFFFAOYSA-N 314.367 -0.090 30 20 DBED C[C@H]1CN(C(=O)CCn2cc(C#N)c(O)nc2=O)[C@@H](C)CN1C 1417684305 ZEZUAWMCVSFUOT-QWRGUYRKSA-N 319.365 -0.238 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C)C(=O)COCc1ccnn1C 1429456334 XPXJSYAYTFUNHG-NSHDSACASA-N 307.354 -0.329 30 20 DBED CC[C@H](CNC(=O)CNC(C)=O)NC(=O)c1c[nH]c(C#N)c1 1430506212 SXUSBBZQWGYYHS-LLVKDONJSA-N 305.338 -0.353 30 20 DBED CCCC[C@H](NC(N)=O)C(=O)NCCN(C)C(=O)[C@@H](C)C#N 1431334814 LXEBNEOIMJDBHI-QWRGUYRKSA-N 311.386 -0.052 30 20 DBED N#CCc1ccccc1CC(=O)NC[C@@]1(O)CCS(=O)(=O)C1 1433989689 FIZFNWLWOIQCCP-HNNXBMFYSA-N 322.386 -0.039 30 20 DBED N#Cc1cccc(CN2CC(CNC(=O)Cn3cnnn3)C2)c1 1443557972 QKSJXADVQBDNOE-UHFFFAOYSA-N 311.349 -0.207 30 20 DBED C[C@H](C(=O)N1CCC2(CC1)CNC(=O)C2)n1cnc(C#N)n1 1445057417 MSLLJCFIMDAUFV-SNVBAGLBSA-N 302.338 -0.161 30 20 DBED CN(CCCn1ccnc1)C(=O)Cn1cc(C#N)c(O)nc1=O 1445970339 LQBIYHLFDHNTGV-UHFFFAOYSA-N 316.321 -0.434 30 20 DBED C[C@@H]1CCCN(C(=O)CN2CC(O)(CNC(=O)[C@H](C)C#N)C2)C1 1446828184 KIOIFVLBCVGZHZ-CHWSQXEVSA-N 322.409 -0.433 30 20 DBED CCNC(=O)CNC[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCO1 1447275611 WDJVVFXZAYRUAZ-LBPRGKRZSA-N 319.365 -0.547 30 20 DBED CCC(=O)N[C@@H](C)C(=O)NCCN(C)C(=O)c1c[nH]c(C#N)c1 1448932148 PEGRCLVJXLJWLT-JTQLQIEISA-N 319.365 -0.011 30 20 DBED CCn1nc(C(=O)N2CC(NC(=O)[C@H](C)C#N)C2)ccc1=O 1450499364 RANJLLOHJWKLSW-SECBINFHSA-N 303.322 -0.637 30 20 DBED CC(=O)N[C@@H](C)C(=O)NC[C@H](C)CNC(=O)c1cc(C#N)c[nH]1 1457257324 MAXZKTXEAVMWNW-UWVGGRQHSA-N 319.365 -0.107 30 20 DBED N#Cc1cn(CCNC(=O)NCc2ccoc2)c(=O)nc1O 1468331691 JPHNRQXWEYRLMS-UHFFFAOYSA-N 303.278 -0.087 30 20 DBED COCC#CCN1CCC[C@@H](NC(=O)C[C@@H]2CCC(=O)N2)C1 1479911268 GHKDMYDZBRZAIY-UONOGXRCSA-N 307.394 -0.115 30 20 DBED CNC(=O)NCCC(=O)N1CCC2(C1)CN(C(=O)[C@H](C)C#N)C2 1488844250 ZXLRMGVBAVDALE-LLVKDONJSA-N 321.381 -0.474 30 20 DBED C[C@H]1[C@@H](NC(=O)NCCn2cnc(C#N)n2)C[C@H]2CC[C@H]1N2 1576579182 LWVMAFSCXDPMHB-KKOKHZNYSA-N 303.370 -0.022 30 20 DBED CCN(CCNC(=O)[C@H](C)C#N)c1ccc(-c2nn[nH]n2)nn1 1577924047 RLBOHVJBMWREON-SECBINFHSA-N 315.341 -0.241 30 20 DBED N#CCN1CCC2(C1)CN(C(=O)c1ccc(-c3nn[nH]n3)[nH]1)C2 1581858175 TZXZJCHXGKESMC-UHFFFAOYSA-N 312.337 -0.134 30 20 DBED N#Cc1ncc(N2CCOC[C@H]2CCO)nc1-c1nn[nH]n1 1581882804 IATJWWFKVLTRFM-MRVPVSSYSA-N 302.298 -0.884 30 20 DBED C#CCN(CC(=O)O)C(=O)CN(C)S(=O)(=O)c1ccccc1 1588402429 TXHBGDWTBBCUQH-UHFFFAOYSA-N 324.358 -0.147 30 20 DBED C#CCCOC(=O)N1C[C@@H](N2C(=O)CNC2=O)C[C@H]1C(=O)O 1588455063 BMEPHOZTHGWWIA-IUCAKERBSA-N 309.278 -0.774 30 20 DBED C=C(C)C[C@H](NS(=O)(=O)C[C@H]1CN(C)CCO1)C(=O)O 1588553989 WYQCBPCWOQFGSW-MNOVXSKESA-N 306.384 -0.344 30 20 DBED C=CCOC[C@H](NS(=O)(=O)N1CCC(OC)CC1)C(=O)O 1588867317 ZVBBPOYGXSZNMD-NSHDSACASA-N 322.383 -0.413 30 20 DBED N#Cc1csc(C(=O)NCCn2cnc(-c3nn[nH]n3)n2)c1 1592703887 GRZSZRIJGYPUSF-UHFFFAOYSA-N 315.322 -0.179 30 20 DBED C#CCN(CC#N)CC(=O)NCc1cccc(-c2nn[nH]n2)c1 1602719869 JMMVOGIYDFUXND-UHFFFAOYSA-N 309.333 -0.058 30 20 DBED C=CCn1c(N2CC[C@@H](C(=O)O)C2)nnc1[C@]1(O)CCOC1 1602730253 YWEUPMPEVXPULB-YGRLFVJLSA-N 308.338 -0.017 30 20 DBED C=CCC[C@@H](NS(=O)(=O)c1cnn(CC(=O)O)c1)C(=O)O 1602857834 YFGDSIIZAADJLJ-SECBINFHSA-N 317.323 -0.335 30 20 DBED C=CCCSCCNC(=O)C(=O)N1CC(O)(C(=O)O)C1 1602880943 NNJQLCVQWOQOOZ-UHFFFAOYSA-N 302.352 -0.930 30 20 DBED CC[C@H](CNC(=O)CCn1cc(C#N)c(O)nc1=O)C(=O)O 1603552589 IGQJAWZOJGYQJW-MRVPVSSYSA-N 308.294 -0.562 30 20 DBED N#CCNC(=O)CNC(=O)COc1cccc(-c2nn[nH]n2)c1 1606349887 KEPBGSQQHMVFGX-UHFFFAOYSA-N 315.293 -0.999 30 20 DBED C[C@@H](Cn1c(N)nc(-c2nn[nH]n2)c1C#N)CS(C)(=O)=O 1609116674 WISQGDSOSPTZLR-LURJTMIESA-N 310.343 -0.802 30 20 DBED Cc1cccc(NC(=O)C(=O)NC[C@](C)(O)C(=O)O)c1C#N 1611199044 WFDVZPIVXPHRGJ-AWEZNQCLSA-N 305.290 -0.243 30 20 DBED COC(=O)C1(CNC(=O)Cn2cnc(C#N)n2)CCOCC1 1647134045 STWJARMHURXUJD-UHFFFAOYSA-N 307.310 -0.764 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(CCN(C)S(C)(=O)=O)C1 1752383771 DCXICICKQQQTNV-GFCCVEGCSA-N 319.427 -0.729 30 20 DBED Cn1cnn(CCC(=O)N[C@@H]2CCC[C@@H](NCC#N)C2)c1=O 1752974390 SGKZVTPWMFRKRR-VXGBXAGGSA-N 306.370 -0.488 30 20 DBED C=CCNC(=O)CN[C@H](C)CCNC(=O)[C@]1(C)CCNC1=O 1753014727 PSYNATOFRWJYHO-ABAIWWIYSA-N 310.398 -0.701 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@H]1CCN(Cc2nnnn2C)C1 1753122877 QFOHESFDIGRGKE-BXUZGUMPSA-N 308.386 -0.525 30 20 DBED C=CCCCNCCN(C)C(=O)CN1C(=O)C(=O)N(C)C1=O 1753237933 RCYQFRMBFPMNPX-UHFFFAOYSA-N 310.354 -0.579 30 20 DBED C[C@H](CNCC(=O)NCC#N)CNC(=O)[C@H]1C[C@@H]1C(F)F 1753610899 LUPUWSKMHLEODT-UTLUCORTSA-N 302.325 -0.131 30 20 DBED C#CCNC(=O)CNC[C@@H](C)NC(=O)C(=O)N1CCC[C@H](C)C1 1754243663 AZYGCDHTMQOBCL-QWHCGFSZSA-N 322.409 -0.911 30 20 DBED C=CCNC(=O)CN1CC(N(C)C(=O)c2cc(OC)ncn2)C1 1754575844 PTHCFTLOJUDECY-UHFFFAOYSA-N 319.365 -0.456 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC(N(C)C(=O)C2(COC)CC2)C1 1754577931 NXTYEJXAHLZWOP-GFCCVEGCSA-N 307.394 -0.307 30 20 DBED C#CCNC(=O)CN1CC(N(C)C(=O)CN2CC[C@H](C)C2)C1 1754582267 VWQXQWROJPTRBJ-ZDUSSCGKSA-N 306.410 -0.780 30 20 DBED C#CCNC(=O)CN1CCOC[C@H]1CNC(=O)/C=C(/C)CC 1754964698 DSBTWWCXRVKOBH-RNQWEJQRSA-N 307.394 -0.091 30 20 DBED CNC(=O)[C@H](C)NC[C@H]1CN(C(=O)C#CC(C)(C)C)CCO1 1755002139 LOQAJICHJQYURB-STQMWFEESA-N 309.410 -0.013 30 20 DBED C#CCNCC1(O)CCN(C(=O)[C@H](OC)c2cnn(C)c2)CC1 1755151754 RAESRUPMUKGJSJ-CQSZACIVSA-N 320.393 -0.316 30 20 DBED C=CCOCC(=O)NC1CC(CN[C@@H](C)c2nnnn2C)C1 1755207528 ZRSVSVWOUGDZIF-UNXYVOJBSA-N 308.386 -0.042 30 20 DBED N#CCN1CC(CCO)(NC(=O)c2cn(C3CCC3)nn2)C1 1755333466 LBBSEQIFUYANEU-UHFFFAOYSA-N 304.354 -0.307 30 20 DBED C#CCCN1C[C@@H]2C(CNC(=O)CN3CC(=O)N(C)C3=O)[C@H]2C1 1755434166 OSVBOXBBHNPNFJ-CHWSQXEVSA-N 318.377 -0.802 30 20 DBED CNC(=O)NC(=O)CN[C@H](C)CN(C)C(=O)C#CC(C)(C)C 1755587177 XSMRSYLORNCVCV-LLVKDONJSA-N 310.398 -0.072 30 20 DBED C#CCNC(=O)CN[C@H](C)CN(C)C(=O)C1(C)CCOCC1 1755612189 DMZIEGXRHDBIFD-CYBMUJFWSA-N 309.410 -0.011 30 20 DBED C#CCCN[C@@H](CO)CNC(=O)[C@]1(C)CCCS1(=O)=O 1755641760 IDFIMVGEQDIAFB-YPMHNXCESA-N 302.396 -0.956 30 20 DBED C=CCNC(=O)CN[C@H]1C[C@H](C)N(C(=O)c2cn(C)c(O)n2)C1 1755679917 ASVAMYCDWZPXMX-QWRGUYRKSA-N 321.381 -0.380 30 20 DBED C#Cc1ccc(C(=O)N(C)C[C@@H](O)CN(C)C[C@@H](C)O)cn1 1755806469 GSRKAUWXZJRVKJ-DOMZBBRYSA-N 305.378 -0.192 30 20 DBED CC#CCN(C)C[C@@H](O)CN(C)C(=O)c1cnn(CCOC)c1 1755807109 CCJRBBITSVXQQQ-OAHLLOKOSA-N 322.409 -0.083 30 20 DBED C=CCNC(=O)CNC1CC(N(C)C(=O)c2cnnc(O)c2)C1 1755857394 KZOHKTQYEYCXHI-UHFFFAOYSA-N 319.365 -0.323 30 20 DBED C#CCCCC(=O)N(C)C[C@H](O)CNC(=O)[C@@H]1CCCNC1=O 1756660282 DKUFTFSKGOMKHH-CHWSQXEVSA-N 323.393 -0.748 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(C(=O)COC(C)C)C[C@H]1O 1756997337 OJUVDHAXXKDYRC-YNEHKIRRSA-N 312.366 -0.862 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@H](NC(=O)c2oncc2C)C1 1757206335 SLBMOIWOHNZHDT-MNOVXSKESA-N 309.322 -0.513 30 20 DBED C=C[C@](C)(CCOC)C(=O)N[C@H]1CCN(C(=O)C(N)=O)[C@@H]1C 1757529503 HYINUPDNKAFCQE-JRPNMDOOSA-N 311.382 -0.194 30 20 DBED C[C@H]1CN(c2[nH]c(=O)n(C)c(=O)c2C#N)CCN(C2CC2)C1 1772118447 ZEQPVTWDTBQUMK-SNVBAGLBSA-N 303.366 -0.134 30 20 DBED C=CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](N)CN)C1 1778005815 LBUYKSIFNJNVDG-WOSRLPQWSA-N 324.425 -0.638 30 20 DBED CC(=O)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)S)C2)C1 1783890148 PEXXSJMBEJSKQP-MFKMUULPSA-N 300.380 -0.276 30 20 DBED O=C1NC[C@@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C#CC2CC2)O1 1847745104 IRRMUNIYGVJSTP-AVGNSLFASA-N 317.345 -0.290 30 20 DBED CCN1CCN(CC(=O)NCc2cccc(C#N)c2)C(=O)C1=O 56751825 CITUQRYWGBZFCC-UHFFFAOYSA-N 314.345 -0.135 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)OC(C)(C)C)c1=O 60892033 RMEKGSODECMZCK-UHFFFAOYSA-N 323.349 -0.115 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)CCn2ccnn2)CC1 73969970 YJLNAAIVKZFZCY-UHFFFAOYSA-N 306.370 -0.885 30 20 DBED C=CCNC(=O)NC(=O)CN1CCSC[C@@H]1CC(=O)O 91131604 IQAABZQPOLFJCN-VIFPVBQESA-N 301.368 -0.110 30 20 DBED C/N=C(/NCC(F)F)N1CCN(c2cnn(C)c2)C(=O)C1 261748745 NEDOKOYQACCOTJ-UHFFFAOYSA-N 300.313 -0.091 30 20 DBED COCCN(CCC#N)S(=O)(=O)NCCc1cnn(C)c1 282979032 XEQBOKSBEFUROC-UHFFFAOYSA-N 315.399 -0.341 30 20 DBED CN(C)S(=O)(=O)N(CC#N)CC(=O)NCc1cccs1 283556357 OSBCPXCNDGFDIP-UHFFFAOYSA-N 316.408 -0.004 30 20 DBED CS(=O)(=O)NCCN1CC[C@H](Oc2ccc(C#N)cn2)C1 292162354 LBYABIKIPYKFQN-LBPRGKRZSA-N 310.379 -0.044 30 20 DBED N#Cc1cc(S(=O)(=O)N2C[C@@H](CO)[C@@H](O)C2)ccc1F 315962197 ACAXUHWMWBSMFO-CABZTGNLSA-N 300.311 -0.329 30 20 DBED CN(C[C@@H](O)CN1CCOCC1)/C(O)=N/[C@@H]1CCCOC1 329643710 IGUVURHHNSANEU-CHWSQXEVSA-N 301.387 -0.296 30 20 DBED CN1CCO[C@@H]2CN(/C(O)=N/C[C@@H]3CC[C@H](C(=N)O)O3)C[C@@H]21 329741884 WFJAYPYDLGCBIB-NNYUYHANSA-N 312.370 -0.002 30 20 DBED CS(=O)(=O)[C@H]1CCN(C(=O)CNc2ccc(C#N)cn2)C1 330384405 RFRMEBMSLJAQIS-NSHDSACASA-N 308.363 0.011 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N[C@H](C)CN1CCOCC1 330384597 ZQNUOKCTMBGZLO-VXGBXAGGSA-N 304.416 -0.367 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N[C@H](C)CN1CCN(C)CC1 330393606 QMCPGCKRJISTLT-CHWSQXEVSA-N 317.459 -0.452 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CC(=O)N(CCOC)C1 330418574 PQODTMUEUQKHAA-NSHDSACASA-N 318.399 -0.539 30 20 DBED C[C@@H](C(=O)N(C)CCC#N)N1CCO[C@@H](Cn2cncn2)C1 330649754 JFPXLJZSAUZADX-QWHCGFSZSA-N 306.370 -0.261 30 20 DBED CCN(C[C@@H](C)C#N)C(=O)CN1CCC[C@@H](S(N)(=O)=O)C1 330660730 UXSGXTFOSWTPHE-NWDGAFQWSA-N 316.427 -0.253 30 20 DBED C[C@@H]([C@@H](C)N(C)/C(O)=N/C[C@@H]1CN(C)CCO1)S(C)(=O)=O 330768210 SIPOQGWNWKHDDM-GRYCIOLGSA-N 321.443 -0.016 30 20 DBED CCS(=O)(=O)N(C)CCC/N=C(/O)N[C@H]1CC(=O)N(C)C1 331014833 KZBPWNAKBRSCJY-JTQLQIEISA-N 320.415 -0.608 30 20 DBED CCN(CCC#N)S(=O)(=O)NC[C@H]1CN2CCN1CC2 336913180 ZMPNJRLWQPFXSE-LBPRGKRZSA-N 301.416 -0.944 30 20 DBED CC(C)N1CC[C@@H](NS(=O)(=O)N2CCO[C@H](C#N)C2)C1=O 337079473 WGKXDWMDBVHCDM-GHMZBOCLSA-N 316.383 -0.946 30 20 DBED COC(=O)[C@H]1CN(S(=O)(=O)N(C)[C@H](C)CC#N)CCO1 337871901 RQMUZZZZEZZUGN-NXEZZACHSA-N 305.356 -0.661 30 20 DBED N#Cc1ncn(CC(=O)N(CCC(F)(F)F)C[C@H](O)CO)n1 342982308 FJTGERLYEANZAH-QMMMGPOBSA-N 321.259 -0.716 30 20 DBED CN(C)c1ncnc2c1cc(C(=O)NCC(=O)NCC#N)n2C 344148340 GOSQHSSBDMPFRD-UHFFFAOYSA-N 315.337 -0.596 30 20 DBED CNc1ccc(C#N)cc1NC(=O)C[C@H](NC(C)=O)C(N)=O 355641614 HZEVYLDXSYNBQF-LBPRGKRZSA-N 303.322 -0.081 30 20 DBED CCN(CC)S(=O)(=O)CCNC(=O)[C@@H](N)CCCC#N 424140360 OCDFXPCKGMEIOK-NSHDSACASA-N 304.416 -0.205 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N(CCC)[C@H]2CCNC2)nn1 424537437 CHDDHXUJAQJGCE-ZDUSSCGKSA-N 320.397 -0.319 30 20 DBED CO[C@H]1CCN(C(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)[C@H](CN)C1 424551308 VDFMTNSMGGIHSE-RNJOBUHISA-N 308.382 -0.240 30 20 DBED C=CCn1cc(CNC(=O)CCSc2nnnn2C)nn1 424908026 MVBQWHDRHZBHBW-UHFFFAOYSA-N 308.371 -0.214 30 20 DBED COC(=O)CN(CC#N)Cc1nnnn1CC1CCOCC1 444636757 HDUHVUICGKEGDM-UHFFFAOYSA-N 308.342 -0.402 30 20 DBED C=C[C@H](C)NC(=O)C(=O)Nc1cnn(CCN2CCOCC2)c1 446799165 KOSZIGBLDCLILH-LBPRGKRZSA-N 321.381 -0.156 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C)CC[C@@H]2C)C1=O 523662572 OWPUULGTWJJIRM-NSHDSACASA-N 322.365 -0.484 30 20 DBED CC(=O)Nc1ccc(C)c(S(=O)(=O)NCC(=O)NCC#N)c1 552120633 OJIKNWVNASFDRL-UHFFFAOYSA-N 324.362 -0.129 30 20 DBED N#Cc1ccc(CNC(=O)CN[C@@]2(C(N)=O)CCOC2)cc1 570289725 KSLMBGLDYZWTLZ-HNNXBMFYSA-N 302.334 -0.592 30 20 DBED COc1ccc(COC[C@@H](O)CNCC(=O)NCC#N)cc1 583990162 JKVKNZYEIHLELZ-ZDUSSCGKSA-N 307.350 -0.198 30 20 DBED C=C[C@@H](O)C(=O)N(C)CC(=O)N1CCC(C(=O)OCC)CC1 590433550 VTXTWNJPKQFFOR-GFCCVEGCSA-N 312.366 -0.207 30 20 DBED CC[C@H](C#N)N(C)C(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 594088726 KGSWBYKFWJSORS-JKKYPKHBSA-N 305.334 -0.091 30 20 DBED N#CCc1cccc(S(=O)(=O)NC[C@@H](O)Cn2ccnn2)c1 594783504 HQLDLHJOCZXLGU-GFCCVEGCSA-N 321.362 -0.316 30 20 DBED C[C@H]1CN(C(=O)C(=O)N2CCN(CCC#N)CC2)[C@H](C)CO1 601431960 UUYXFLCWPSLDMP-OLZOCXBDSA-N 308.382 -0.320 30 20 DBED CNS(=O)(=O)[C@@H]1CCCN(S(=O)(=O)N(C)CCC#N)C1 609598305 DAXMIHOHYKBSRH-SNVBAGLBSA-N 324.428 -0.910 30 20 DBED C=C[C@@](C)(O)C(=O)N1CCC(N2CCS(=O)(=O)CC2)CC1 613322975 BEVLMLIOIHWVLC-CQSZACIVSA-N 316.423 -0.355 30 20 DBED C=C[C@@H](O)C(=O)N1CCC(S(=O)(=O)N2CCCC2)CC1 614494824 OIBFHNJMTXBTKU-GFCCVEGCSA-N 302.396 -0.050 30 20 DBED Cc1nnc(NN=C2CCN(S(C)(=O)=O)CC2)nc1O 747627097 AZMVVCWWOCSDEL-UHFFFAOYSA-N 300.344 -0.291 30 20 DBED N#Cc1c[nH]c(C(=O)OCC(=O)N2CCCC[C@H]2C(N)=O)c1 748228922 ZVWGOPOKWIBDQB-NSHDSACASA-N 304.306 -0.090 30 20 DBED CN(C(=O)COC(=O)C(C)(C)NS(C)(=O)=O)C(C)(C)C#N 751690358 ISNRIQUGWMPLCO-UHFFFAOYSA-N 319.383 -0.382 30 20 DBED CN1C(=O)CN(NS(=O)(=O)c2cccc(F)c2C#N)C1=O 767843944 OOKZUFJZSHPJSL-UHFFFAOYSA-N 312.282 -0.215 30 20 DBED Cn1cc(C(=O)NS(=O)(=O)c2cccc(F)c2C#N)nn1 809002066 XWLPOTCGFFFTHN-UHFFFAOYSA-N 309.282 -0.055 30 20 DBED C#C[C@H](NC(=O)C(=O)N(C)CCn1cccn1)[C@@H]1CCCO1 809312497 NIYDQMQPABCWCT-STQMWFEESA-N 304.350 -0.362 30 20 DBED CC(=NNC1=NC(=O)C(=O)N1)c1ccc(-c2nn[nH]n2)s1 823953896 UTEQUTFBFVMCHL-UHFFFAOYSA-N 304.295 -0.746 30 20 DBED CN1CCN(C)CC(C(=O)NCCNc2ccc(C#N)cn2)C1 826785136 FVTZUDZAZODLJR-UHFFFAOYSA-N 316.409 -0.025 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)c2cocc2C)CC1 831583964 DGCUFBIQLBYMOU-UHFFFAOYSA-N 311.363 -0.187 30 20 DBED CCNCCNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 832578243 QFBRYQAHTWAWDZ-UHFFFAOYSA-N 324.406 -0.159 30 20 DBED CC(=NNC(=S)NCC(N)=O)c1ccccc1OCC(=O)O 833386462 HOONIXHLPMYNRS-UHFFFAOYSA-N 324.362 -0.177 30 20 DBED C#CC[C@H](CO)NC(=O)c1cccc([C@@]2(C)NC(=O)NC2=O)c1 854544524 QRENHHNQFSJPMA-MLGOLLRUSA-N 315.329 -0.145 30 20 DBED CCOC(=O)CON=C(C(=O)N[C@@H]1C[C@]1(C)OC)c1cc[nH]n1 856268841 KLPVFZYGWKXLIB-YGRLFVJLSA-N 324.337 -0.013 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)NCc1cnnn1CC 875474664 CGYPRAJELGNPCX-NSHDSACASA-N 307.354 -0.541 30 20 DBED C#CCn1cc(CNS(=O)(=O)c2cnn3c2OCCC3)cn1 882347619 KSUHEVFEULEVSQ-UHFFFAOYSA-N 321.362 -0.026 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2cnc(C)n2C)CC1 900559998 GWZAATCETPUELC-UHFFFAOYSA-N 303.366 -0.764 30 20 DBED CCN1CCC(NC(=O)Cn2ccc(C=NO)nc2=O)CC1 902263243 MIKMNGYULIWGBR-UHFFFAOYSA-N 307.354 -0.348 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](C)[C@@H](O)CC)CC1 913789147 YIJKPNKPSRDUMB-RYUDHWBXSA-N 317.411 -0.995 30 20 DBED C#CC[C@H](CO)NC(=O)N[C@@H]1CCN(C2CCN(C)CC2)C1 918912923 KGSJIXNDZGLYQC-ZIAGYGMSSA-N 308.426 -0.162 30 20 DBED C=CCOC[C@H]1NC(=O)N(C2CCN(CC(=O)NC)CC2)C1=O 924890834 LIRCSEWCFQCXCL-GFCCVEGCSA-N 324.381 -0.680 30 20 DBED C#CC1(O)CN(CCCN2C(=O)CS/C2=C\C(=O)OC)C1 934447749 GISBATNYXFVLLD-GHXNOFRVSA-N 310.375 -0.354 30 20 DBED N#Cc1cc(C(=O)N[C@H]2CCN(C(=O)Cc3nc[nH]n3)C2)c[nH]1 937853267 LNNXJXXCPGBPAM-JTQLQIEISA-N 313.321 -0.422 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](NC(=O)c2c[nH]c(=O)cn2)[C@H](C)C1 939600786 QDIKDUIMYQPIBN-FXPVBKGRSA-N 303.322 -0.494 30 20 DBED C[C@@H](C#N)C(=O)N1CCCN(C(=O)c2cc(=O)n(C)cn2)CC1 941469178 AYXMLZFGEIEQTM-NSHDSACASA-N 317.349 -0.386 30 20 DBED CC#CCN1CC[C@@H](NC(=O)Cn2ncn(C)c2=O)[C@@H](C)C1 942200782 PAKDSNKXUNKELL-QWHCGFSZSA-N 305.382 -0.568 30 20 DBED C=CCN1C[C@H]2CCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)CC[C@H]2C1 946800851 NYSWUOWQMGLWSD-XQQFMLRXSA-N 320.393 -0.059 30 20 DBED C[C@@H](C#N)C(=O)N1[C@H]2CCC[C@H]1CN(C(=O)c1nnn(C)n1)C2 952769532 ZZRQKUVILXYFJB-DCAQKATOSA-N 317.353 -0.425 30 20 DBED CN(C(=O)c1ccc(=O)n(C)n1)C1CN(C(=O)C#CC2CC2)C1 955371550 DGWXXHOUVVKPQR-UHFFFAOYSA-N 314.345 -0.524 30 20 DBED C=CCN1C[C@H](O)[C@H](CNC(=O)c2nccn3ccnc23)C1 958417506 LOAGXVWXTXYGIQ-NEPJUHHUSA-N 301.350 -0.062 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2ccnc(NC(C)=O)c2)C1 958488804 HLAAFTOGQZWWPB-KGLIPLIRSA-N 316.361 -0.304 30 20 DBED C=CCN1C[C@@H](O)[C@@H](CNC(=O)c2cn(CC3CC3)nn2)C1 958527143 VZLSOCKVIJZXBP-GXTWGEPZSA-N 305.382 -0.103 30 20 DBED C=CCN1CC[C@H](N2C[C@H]3[C@H](NC(=O)c4ncc[nH]4)[C@H]3C2)C1=O 958808893 QDTXJOIJTVDZEQ-QNWHQSFQSA-N 315.377 -0.143 30 20 DBED C=CCCN1C[C@H]2[C@H](NC(=O)CN3CCCS3(=O)=O)[C@H]2C1 960186896 VFIQQYHPQDSOBS-IMRBUKKESA-N 313.423 -0.356 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H]2CN(C(=O)C3=COCCO3)C[C@@H]21 960883476 OORQHPOKRLIURC-SDDRHHMPSA-N 321.333 -0.528 30 20 DBED CC(C)[C@@H](O)C(=O)N1CCOC2(CN(C(=O)C#CC3CC3)C2)C1 965369302 LZRJLEBSTBAZDN-OAHLLOKOSA-N 320.389 -0.144 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2CN(C(=O)C(N)=O)C[C@@H]2C)cn1 966748542 DJWUCUHXWINFSE-CABZTGNLSA-N 300.318 -0.875 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)C(N)=O 969795737 BSCMRCDQDAOYDD-KXNHARMFSA-N 307.350 -0.735 30 20 DBED C=C(C)CN1CCO[C@]2(CCN(C(=O)Cn3cnnn3)C2)C1 972250354 YDSGLLZBQOIDPQ-CQSZACIVSA-N 306.370 -0.448 30 20 DBED C#CCCN1CCO[C@]2(CCN(C(=O)[C@@H]3CCNC3=O)C2)C1 972494977 VUGZFPUIXYAVMT-CZUORRHYSA-N 305.378 -0.551 30 20 DBED C=C[C@](C)(CC)C(=O)N1C[C@H]2[C@H](NC(=O)Cn3cnnn3)[C@H]2C1 976141042 JDOZDYHXVVCZBV-REJLFOLJSA-N 318.381 -0.152 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1[C@@H]2CN(C(=O)[C@H](C)OC)C[C@@H]21 976739069 HPYQLTGRHRHSTE-SBJFKYEJSA-N 319.405 -0.308 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)Cc3nc[nH]n3)C[C@H]2C1 986596545 XWSXSPQUESWUFO-UTUOFQBUSA-N 316.365 -0.186 30 20 DBED C#Cc1ccc(C(=O)N(C)C[C@H]2CCN(C(=O)C(N)=O)C2)nc1 988286050 MKQNSQZEEXJKAJ-GFCCVEGCSA-N 314.345 -0.531 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](CN(C)C(=O)c2cnnn2C)C1 988288341 SXJKQJVOFOZPEX-MNOVXSKESA-N 304.354 -0.105 30 20 DBED N#Cc1cc(C(=O)NC2CN(C(=O)C34CCN(CC3)C4)C2)c[nH]1 990930575 IQYZYJDOPZOEHY-UHFFFAOYSA-N 313.361 -0.077 30 20 DBED Cn1ncc(C(=O)NC2CN(C(=O)c3c[nH]c(C#N)c3)C2)c1N 990952807 CMPGNAHYFQDQHO-UHFFFAOYSA-N 313.321 -0.544 30 20 DBED Cn1nnc(CNC2CCN(C(=O)c3ccc(C#N)[nH]3)CC2)n1 991222547 SOVNVVGMVYDBGD-UHFFFAOYSA-N 314.353 -0.196 30 20 DBED C#CCN1CCC[C@@H](NC(=O)c2cnc(O)n(C)c2=O)[C@H]1C 993686700 XJGODYOVSXWTOD-ZYHUDNBSSA-N 304.350 -0.298 30 20 DBED N#Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C(N)=O)c[nH]1 996127397 STCSEKGTOCYYMR-VWYCJHECSA-N 301.306 -0.767 30 20 DBED C#CCN[C@H]1CN(C(=O)[C@@H]2COCCN2C(C)=O)CC1(C)C 996640747 BOTVGBSINGCMMH-KBPBESRZSA-N 307.394 -0.307 30 20 DBED C[C@@H](NC(=O)[C@H]1CC[C@@H](C(N)=O)O1)C1CCN(CC#N)CC1 997301162 OJAAMDGXILGBGO-KGYLQXTDSA-N 308.382 -0.240 30 20 DBED C=CCN1CC[C@H](N2CCC(N(C)C(=O)C(N)=O)CC2)C1=O 1005913376 FZAJZQKOVCTGLX-LBPRGKRZSA-N 308.382 -0.819 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CC[C@H]1CN2C(=O)Cn1cnnc1O 1007271123 BZGPWGQIRUXUKP-MXWKQRLJSA-N 318.337 -0.655 30 20 DBED COCCn1cc(C(=O)N2CCN(C(=O)[C@H](C)C#N)CC2)nn1 1011133690 LMUIGEYWXHUMAC-LLVKDONJSA-N 320.353 -0.631 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C(=O)[C@H]2CCS(=O)(=O)C2)CC1 1011495028 AZIQZONJCDDORY-MNOVXSKESA-N 313.379 -0.748 30 20 DBED N#Cc1ccc(CN2CC[C@H](NC(=O)[C@H]3CNC(=O)N3)C2)s1 1015635705 VWKJKHYCOXGSEY-JOYOIKCWSA-N 319.390 -0.008 30 20 DBED Cn1[nH]c(CN2C[C@@H]3CC[C@H](C2)N3C(=O)C#CC2CC2)nc1=O 1017540751 OKQNVRZQSHJXOK-BETUJISGSA-N 315.377 -0.303 30 20 DBED C#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CCC(=O)NC1=O 1018150909 WMJLVKSQJUUWFS-TXEJJXNPSA-N 304.350 -0.763 30 20 DBED Cc1nonc1C(=O)NC[C@@H]1CN(C(=O)[C@H](C)C#N)CCCO1 1019612950 FRIQQBRNJNAWIQ-MWLCHTKSSA-N 321.337 -0.115 30 20 DBED O=C1NCC[C@@H]1C(=O)N1CC[C@H]2CN(C(=O)C#CC3CC3)C[C@H]21 1022344631 IGMMUWDZUHBREF-MELADBBJSA-N 315.373 -0.405 30 20 DBED C=CCN1CCCC[C@H]1CNC(=O)[C@H]1CCS(=O)(=O)N1 1024806799 MMRRGXPQLDRNBQ-NWDGAFQWSA-N 301.412 -0.165 30 20 DBED COc1cccnc1C(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1O 1024949637 PRXUXPUHQNWAID-HBNTYKKESA-N 318.333 -0.449 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)Cn3nccn3)C[C@H]2O)C1 1025541805 DDZDXHILTBOEHB-VXGBXAGGSA-N 319.365 -0.678 30 20 DBED N#Cc1ccc(F)c(CN2CC(NC(=O)[C@H]3CNC(=O)N3)C2)c1 1030878548 RSYSHYSQIZPPRX-CYBMUJFWSA-N 317.324 -0.321 30 20 DBED C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1COCCN1C(C)=O 1032791678 DTYGMOYWWJSQGD-SOUVJXGZSA-N 305.378 -0.458 30 20 DBED C#CCN1CC[C@H](N(C)C(=O)c2cc(=O)n3[nH]cnc3n2)C1 1033584009 SEDXWUJSOOFLTD-JTQLQIEISA-N 300.322 -0.803 30 20 DBED N#CCN1CCO[C@@H](CNC(=O)c2cn(C3CCC3)nn2)C1 1035368260 OISVZALCHFTSTG-LBPRGKRZSA-N 304.354 -0.043 30 20 DBED CCC(=O)N1CC[C@H](C(=O)NC[C@H]2CN(CC#N)CCO2)C1 1035570916 UBJUIESGFMCVFL-STQMWFEESA-N 308.382 -0.415 30 20 DBED C#CCN1CC[C@H]2CN(C(=O)CN3CC(=O)NC3=O)CC[C@@H]21 1036843345 FDFIRIAEJXHIHO-RYUDHWBXSA-N 304.350 -0.906 30 20 DBED C=C(Cl)CN1CC[C@@H]1CNC(=O)[C@H]1CCN(C)S1(=O)=O 1038801910 QJOLTZOPCRHUDG-GHMZBOCLSA-N 321.830 -0.037 30 20 DBED CC(C)C#CC(=O)NC[C@]1(O)CCN(C(=O)[C@H]2CCC(=O)N2)C1 1039663769 JFDAHUNFQHMSNI-MLGOLLRUSA-N 321.377 -0.996 30 20 DBED C=C(C)CCC(=O)N1CC[C@@](O)(CNC(=O)Cn2ncnn2)C1 1039798887 SJOHEKCMARTTNI-CQSZACIVSA-N 322.369 -0.891 30 20 DBED C#CCN1[C@H]2CCC[C@H]1CN(C(=O)CN1CCNC(=O)C1)C2 1039822595 FYDQQULGEAKHID-KBPBESRZSA-N 304.394 -0.883 30 20 DBED O=C(Cc1ncc[nH]1)NC[C@]1(O)CCN(C(=O)C#CC2CC2)C1 1040692622 AZUIBCZTVBGNQG-MRXNPFEDSA-N 316.361 -0.555 30 20 DBED Cc1cnc(C(=O)N2CC[C@@](O)(CNC(=O)[C@@H](C)C#N)C2)cn1 1040764850 ZQMSLUSVVNZYBZ-ZUZCIYMTSA-N 317.349 -0.362 30 20 DBED N#Cc1nccc(N2C[C@@H](O)[C@H](NC(=O)c3cccnn3)C2)n1 1041139394 OPUSDMPEUKNJDP-GHMZBOCLSA-N 311.305 -0.882 30 20 DBED C=CCn1cc(C(=O)N2CC(O)(CNC(=O)[C@H]3C[C@H]3C)C2)nn1 1041293351 ZKXLOECEHUIEQW-MNOVXSKESA-N 319.365 -0.577 30 20 DBED O=C(COCC1CC1)NCC1(O)CN(C(=O)C#CC2CC2)C1 1041646076 OQOMQMHYBJFFNF-UHFFFAOYSA-N 306.362 -0.484 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)Cc2cc(C)[nH]n2)C1 1041956307 FIWZTJNEOXVQTQ-UHFFFAOYSA-N 306.366 -0.084 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)[C@H](C)n2cccc2)C1 1042040183 QAASYIGDKKQIDP-ZDUSSCGKSA-N 321.377 -0.059 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)c2csc(O)n2)C1 1042802222 GRZPXMRUYVJXLR-UHFFFAOYSA-N 323.374 -0.045 30 20 DBED C=C(C)CCC(=O)N1CC(O)(CNC(=O)Cc2n[nH]c(C)n2)C1 1042970745 VZOCJKAUYHZOLJ-UHFFFAOYSA-N 321.381 -0.299 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)CCc2cn[nH]c2)C1 1043219088 ZGNOIJKLAPNSEO-SNVBAGLBSA-N 305.338 -0.809 30 20 DBED Cc1cc(N2C[C@H](O)[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)ncn1 1043888044 XCCJSOCKFCIJCI-OLZOCXBDSA-N 312.333 -0.036 30 20 DBED C#Cc1ccccc1CC(=O)NCC1(O)CN(C(=O)COC)C1 1044319733 PJLUNUAXYUNFMY-UHFFFAOYSA-N 316.357 -0.454 30 20 DBED Cc1nc[nH]c1CC(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1044323767 UQFJUMWIBWLOLY-UHFFFAOYSA-N 316.361 -0.636 30 20 DBED C=C[C@H](C)[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2[nH]nnc2C)C1 1044370824 SHUYHNNNSYKCET-VHSXEESVSA-N 321.381 -0.126 30 20 DBED CC#CCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCNC2=O)C1 1044456171 QBZOSYLCUZJNTH-GFCCVEGCSA-N 321.377 -0.994 30 20 DBED C=CCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCC(=O)NC2)C1 1045470029 NMVDEWOYVMXHAE-GFCCVEGCSA-N 323.393 -0.442 30 20 DBED C#CCN1CCC2(CC1)CO[C@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)C2 1045679316 IHARGYJQAPGFHM-MJBXVCDLSA-N 319.405 -0.272 30 20 DBED N#CCN1CC[C@@H](N2CCN(C(=O)[C@H]3CCC(=O)NC3)CC2)C1 1046042816 NJDNSPYBWKJNNN-UONOGXRCSA-N 319.409 -0.745 30 20 DBED C[C@@]1(NC(=O)[C@@H]2CN3CC4CC3(CO2)C4)CCN(CC#N)C1 1046501071 IQWXHQQVNLKROE-GOPBEWJXSA-N 304.394 -0.046 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)[C@]2(C)CCNC2=O)C1 1046637754 YSYQPOLXKKBJCE-CQSZACIVSA-N 309.366 -0.832 30 20 DBED C=C(C)CN1C[C@H](O)[C@@H](N(C)C(=O)c2cn(C)c(=O)nc2O)C1 1047624637 LMTCWTKYPLSENX-RYUDHWBXSA-N 322.365 -0.821 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCOC)C1 1047983286 AKLYLYGYRQQZGC-RYUDHWBXSA-N 300.355 -0.744 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2CN(C[C@@H](C)O)C[C@@H]2C1 1048870271 VPVIKMZZSNLJJI-WCVJEAGWSA-N 305.422 -0.145 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)CC(N)=O)C1 1049169432 ZMFWATHNOKTLFT-AGIUHOORSA-N 323.393 -0.669 30 20 DBED C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)CN1CCNC(=O)C1 1049633432 BSEZNMODOZHNKB-ZIAGYGMSSA-N 306.410 -0.331 30 20 DBED N#CCN1CCC2(CC1)CN(C(=O)C[C@@H]1NC(=O)NC1=O)C2 1050548183 YGXHHXYKWCNVAO-JTQLQIEISA-N 305.338 -0.968 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)[C@H]1CCc2cnn(C)c2C1 1051085973 ILBFQDGJPJUZTC-ZFWWWQNUSA-N 316.405 -0.025 30 20 DBED N#CCN1CCOC[C@H]1CNC(=O)[C@@H]1CCc2nn[nH]c2C1 1051210508 WRDAMVCDZNVJFK-GHMZBOCLSA-N 304.354 -0.750 30 20 DBED CC#CCN1CCOC[C@@H]1CNC(=O)c1cc(C(N)=O)ccn1 1051274233 VIRPXPRJVWYUJO-ZDUSSCGKSA-N 316.361 -0.366 30 20 DBED C#CCN1CCN([C@H]2CCN(C(=O)[C@H]3CCCN3C)C2)CC1 1051996012 JNJSWXVSHFFECS-JKSUJKDBSA-N 304.438 -0.068 30 20 DBED C=CCN1CCN([C@@H]2CCN(C(=O)c3cc(=O)n(C)o3)C2)CC1 1052019320 YPLLWKJJWOBEOF-CYBMUJFWSA-N 320.393 -0.004 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)[C@H]1COCCN1C)CCO2 1053226674 JWKMTQXJVNMSRI-CQSZACIVSA-N 307.394 -0.747 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)[C@H]1CC(=O)N[C@H](C)C1)CCO2 1053321705 OLNNFIIOLTXXFB-ZIAGYGMSSA-N 319.405 -0.162 30 20 DBED COc1coc(C(=O)N2CCOC3(CN(CC#N)C3)C2)cc1=O 1053341763 JANBLOHWTFALKH-UHFFFAOYSA-N 319.317 -0.301 30 20 DBED C[C@H]1CN(C(=O)Cn2cncn2)C[C@H]1CNC(=O)C#CC1CC1 1053479961 SWNLSVHIGZJWBM-GXTWGEPZSA-N 315.377 -0.098 30 20 DBED COc1nn(C)cc1C(=O)N[C@@H]1COC2(C1)CN(CC#N)C2 1053891015 NTYYRSMOFRCCPF-JTQLQIEISA-N 305.338 -0.475 30 20 DBED N#Cc1ccc(N2C[C@H]3[C@H](NC(=O)c4c[nH]c(=O)cn4)[C@H]3C2)nc1 1056388380 DSMBIMRCCPWANG-HBYGRHMLSA-N 322.328 -0.099 30 20 DBED CCO[C@H](C)C(=O)N(CCO)CCNC(=O)c1c[nH]c(C#N)c1 1057058117 MDFVJJIRCDICHY-LLVKDONJSA-N 322.365 -0.138 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)C[C@H]1COC(=O)C1 1057346379 AEQYLUNSNSIZGQ-GHMZBOCLSA-N 311.338 -0.964 30 20 DBED N#Cc1nc(=N[C@H]2CCCN(C(=O)C3(C(N)=O)CC3)C2)cc[nH]1 1057741940 NQPNWUCBSFNXKF-JTQLQIEISA-N 314.349 -0.561 30 20 DBED C=CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)c1ccncn1 1057922055 WBCOCVNGZFYMSW-LBPRGKRZSA-N 322.365 -0.382 30 20 DBED Cc1cc(N2CC[C@H](NC(=O)Cn3ncnn3)C2)c(C#N)cn1 1058452569 VQXLDVOTOXLLEI-LBPRGKRZSA-N 312.337 -0.357 30 20 DBED O=C(C#CC1CC1)NCCN(CCO)C(=O)Cc1ncc[nH]1 1058550394 UQOWWVHXGGGJMR-UHFFFAOYSA-N 304.350 -0.697 30 20 DBED CN1CC[C@@H](C(=O)N[C@H]2C[C@H](Nc3ccc(C#N)nn3)C2)C1=O 1059377083 OSWZFJLRQMPDBO-SRVKXCTJSA-N 314.349 -0.114 30 20 DBED CN1CCO[C@H](C(=O)N[C@H]2C[C@@H](Nc3nccnc3C#N)C2)C1 1059587150 IUIZJRRVMIHMHQ-LOWVWBTDSA-N 316.365 -0.262 30 20 DBED C[C@@]1(C(=O)N[C@H]2C[C@@H](N=c3cc[nH]c(C#N)n3)C2)CCNC1=O 1059822878 CABXLROKBLKMLJ-HFBDOXOYSA-N 314.349 -0.645 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC[C@@H](CCNC(=O)CC(N)=O)C1 1059831705 WLRSZBQFECVEJW-NWDGAFQWSA-N 311.382 -0.192 30 20 DBED Cn1cc(C(=O)NC[C@H]2CCN(c3ccc(C#N)nn3)C2)nn1 1061583604 YDAZVGHGUOICFT-SNVBAGLBSA-N 312.337 -0.267 30 20 DBED C=C(C)CCC(=O)NC[C@@H]1COCCN1C(=O)Cn1nccn1 1061631364 UDCCZSUGFXXJFN-CYBMUJFWSA-N 321.381 -0.022 30 20 DBED C#CCCCC(=O)N1CCOC[C@@H]1CNC(=O)c1cnn[nH]1 1061697068 JDZWAWGOSBALPO-NSHDSACASA-N 305.338 -0.435 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)CCc1cnn[nH]1 1061853209 QQEZAAWJSISIQU-JQWIXIFHSA-N 320.353 -0.759 30 20 DBED C=CCOCC(=O)NC[C@H]1CCCCN1C(=O)Cn1ncnn1 1062232815 QRVRWQVFHHADHY-GFCCVEGCSA-N 322.369 -0.627 30 20 DBED C[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(C#N)n1)n1cncn1 1062477595 PXISJYXTTUSAKO-WXHSDQCUSA-N 324.348 -0.010 30 20 DBED N#Cc1cncc(NC[C@H]2CCCN2C(=O)[C@@H]2COC(=O)N2)n1 1063479187 RMXJLKVTVAFHER-MNOVXSKESA-N 316.321 -0.140 30 20 DBED C=C[C@@](C)(O)CC(=O)NC1(CNC(=O)Cn2cncn2)CCC1 1064595783 LTWROXHZJNWBRJ-CQSZACIVSA-N 321.381 -0.240 30 20 DBED C=C(C)CCC(=O)N1CCO[C@H](CNC(=O)Cn2nccn2)C1 1065223915 HUXHUYRYBILVCY-CYBMUJFWSA-N 321.381 -0.022 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)C[C@H]2CCNC2=O)CCO1 1065235250 SXCWSAUIMXLOJE-OLZOCXBDSA-N 323.393 -0.178 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCC[C@H](NC(=O)CC(N)=O)CC1 1066010905 QJGUJFYVMXVPDL-NHYWBVRUSA-N 311.382 -0.314 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)N1CCOC2(CN(C(C)=O)C2)C1 1068396772 QIBXYKDSDXITQI-AWEZNQCLSA-N 323.393 -0.083 30 20 DBED C[C@@H]1[C@H](N=c2cc[nH]c(C#N)n2)CCN1C(=O)Cc1nc[nH]n1 1068896285 ZBPRSTJOERQFMJ-NXEZZACHSA-N 312.337 -0.468 30 20 DBED C#CCNC(=O)CC(=O)N1CCC(CC)(NC(=O)COC)CC1 1069316957 CTZWXDGHTHYESK-UHFFFAOYSA-N 323.393 -0.340 30 20 DBED N#CCN1CCN([C@H]2CCCN(C(=O)c3cnco3)C2)C(=O)C1 1071268836 BMEDZRSBWMSFLG-LBPRGKRZSA-N 317.349 -0.053 30 20 DBED CC(=O)NCC(=O)N1C[C@H](C)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 1071496077 OMGMPKCDRBPSQF-TVQRCGJNSA-N 317.349 -0.401 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CN(C(=O)CSCC#N)C[C@@H]1C 1071654367 GYOMYNBKGQOWFP-GXSJLCMTSA-N 312.395 -0.658 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CCN(C(=O)c2cnn(C)n2)CC1 1074641389 PVJXRFSDHJQMHP-JTQLQIEISA-N 320.353 -0.942 30 20 DBED C#CCCCC(=O)N[C@@H]1CCN(C(=O)CNC(N)=O)[C@@H](C)C1 1074960451 KURLAXDGCVXVFF-NWDGAFQWSA-N 308.382 -0.046 30 20 DBED CC(C)C#CC(=O)N[C@H]1CCN(C(=O)c2nnn(C)n2)[C@@H](C)C1 1074974978 LKHRVIARSCCNLT-RYUDHWBXSA-N 318.381 -0.021 30 20 DBED Cn1[nH]c(CN2C[C@@H]3CCN(C(=O)C#CC4CC4)[C@@H]3C2)nc1=O 1075776390 LTDJBYXUCZONHT-QWHCGFSZSA-N 315.377 -0.446 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)[C@@H](C)COC 1076218871 JUNKZXFGVSJREO-RYUDHWBXSA-N 311.382 -0.581 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)c1ccnnc1 1076219846 DYLQRFLSFITPFO-NSHDSACASA-N 317.349 -0.759 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H](C)CCNC(=O)Cn1cnnc1O 1076227112 LSXVFJNIKCNXRZ-QWRGUYRKSA-N 323.353 -0.967 30 20 DBED C[C@@H](CCNC(=O)c1cccnc1C(N)=O)NC(=O)[C@H](C)C#N 1076780345 ALELKCGSZMOWRV-ZJUUUORDSA-N 317.349 -0.035 30 20 DBED Cc1nc2cc(C(=O)N[C@@H]3CN(CC#N)C[C@H]3O)cnc2[nH]1 1077107853 AIKBAUKHIAXTKY-VXGBXAGGSA-N 300.322 -0.435 30 20 DBED C=CCCC(=O)N[C@@H](C)CCNC(=O)CN1CCN(C)C(=O)C1 1077117618 JLHYDIMBPKISDV-ZDUSSCGKSA-N 324.425 -0.262 30 20 DBED C#CCOc1ncccc1C(=O)N[C@@H]1CN(C[C@@H](C)O)C[C@H]1O 1078027643 ANPIBNWCLSUXRO-MRVWCRGKSA-N 319.361 -0.751 30 20 DBED C=CCOCC(=O)N1CCC(CO)(NC(=O)c2cocn2)CC1 1080775034 PUTZAUJUTIJBTM-UHFFFAOYSA-N 323.349 -0.040 30 20 DBED C=C(C)CCN1C[C@@H](NC(=O)CN2C(=O)CNC2=O)[C@H](C)C1 1080906934 SDDZJRFNEJMYEA-VXGBXAGGSA-N 308.382 -0.059 30 20 DBED C=CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CCN(C)C(=O)C1 1083123644 MIXBVFKMKKCXOJ-HZSPNIEDSA-N 307.394 -0.048 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cc(C(N)=O)ccn1 1083295302 QKJJYUDUATZZHI-UONOGXRCSA-N 314.345 -0.661 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCN(C)C(=O)C2)C1 1083577672 DBGPMXPDFNCZAF-UTUOFQBUSA-N 315.801 -0.231 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)c2ccc(CNC(C)=O)o2)C1 1083865820 YBSCFEYWQNMNQL-KGLIPLIRSA-N 319.361 -0.286 30 20 DBED N#CCN1CC[C@@H]2CN(C(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)[C@@H]2C1 1084529456 KVSCHCUOAQIRIG-SYQHCUMBSA-N 320.393 -0.144 30 20 DBED N#CCN[C@@H]1CC[C@H](CNC(=O)c2cc(=O)n3[nH]cnc3n2)C1 1086852957 ZLRBROXPYQSREE-VHSXEESVSA-N 315.337 -0.571 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)CNC(N)=O)N=c1cc[nH]cc1C#N 1089214142 FXACVCQSKSNUDB-VHSXEESVSA-N 304.354 -0.261 30 20 DBED C[C@@H](C[C@H](C)Nc1cnc(C#N)cn1)NC(=O)CNC(N)=O 1089214866 KYQQMPQGPLEILB-IUCAKERBSA-N 305.342 -0.288 30 20 DBED Cc1nsc(N2C[C@@H](O)[C@H](NC(=O)CCN(C)C)C2)c1C#N 1090524950 GYMBNTWTMVAQBP-VXGBXAGGSA-N 323.422 -0.059 30 20 DBED N#Cc1ccc(F)c(CN2CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C2)c1 1090535997 YSFJOWAYPZWKIX-OLZOCXBDSA-N 320.324 -0.766 30 20 DBED C#CCCN1CC[C@@H](NC(=O)C(=O)N2CCC(C)CC2)[C@H](O)C1 1090628772 CEDQZNPTSLBMQD-HUUCEWRRSA-N 321.421 -0.180 30 20 DBED CO[C@H](C)CCC(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1091096540 RYHXAVYIACUVBM-RTXFEEFZSA-N 319.365 -0.171 30 20 DBED N#Cc1nccnc1N1C[C@H](O)[C@H](NC(=O)CC2(O)CCC2)C1 1091097270 FCZFPGAOZYZQGA-NEPJUHHUSA-N 317.349 -0.681 30 20 DBED CCOCCC(=O)N[C@@H]1CCN(c2ccc(C#N)nn2)C[C@@H]1O 1092154129 RUEOXWJGAYORCF-OLZOCXBDSA-N 319.365 -0.169 30 20 DBED C[C@@]1(CNC(=O)C(N)=O)CN(c2ccc(C#N)cn2)CCO1 1092775067 NJNHXQCVLDFLIE-CQSZACIVSA-N 303.322 -0.850 30 20 DBED CCS(=O)(=O)CC(=O)N1CCN(c2cnc(C#N)cn2)CC1 1093158831 RRHFMHHSPOFFFH-UHFFFAOYSA-N 323.378 -0.568 30 20 DBED Cc1nc(NCCNC(=O)C2CC(=O)NC(=O)C2)ccc1C#N 1093741483 BLOXATWTCXHATN-UHFFFAOYSA-N 315.333 -0.157 30 20 DBED N#Cc1nccnc1NCCNC(=O)[C@@H]1CCCCN1C(N)=O 1093855974 KOCFARYHGHEVGA-NSHDSACASA-N 317.353 -0.190 30 20 DBED CCc1nc(C#N)cc(NCCNC(=O)C(C)(C)C(N)=O)n1 1093932651 QBSZSUXZSKDJRB-UHFFFAOYSA-N 304.354 -0.050 30 20 DBED N#Cc1nccnc1NCCCNC(=O)CC1CS(=O)(=O)C1 1094651889 KRIWFPSVCUYYEK-UHFFFAOYSA-N 323.378 -0.299 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)[C@H]3C[C@@H]3C(F)F)CC2=O)C1 1094730045 QGJOVJLOYVQUHC-DLOVCJGASA-N 311.332 -0.078 30 20 DBED C[C@@]1(C(=O)NCCCNc2nccnc2C#N)CCNC1=O 1094780448 BFEYSVAXYMAFDM-AWEZNQCLSA-N 302.338 -0.207 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)c3nc(C)c[nH]3)CC2=O)C1 1094792979 WEUWJBOESHKBTH-NSHDSACASA-N 301.350 -0.634 30 20 DBED C[C@@H]1CN(C)C[C@H](C(=O)NCCCNc2cncc(C#N)n2)O1 1094868664 NVYAGRJRIUKNRY-DGCLKSJQSA-N 318.381 -0.014 30 20 DBED CN(C)CCOCC(=O)NCCCN(C)c1ccnc(C#N)n1 1095594440 ADJGRXBDDXMDHE-UHFFFAOYSA-N 320.397 -0.131 30 20 DBED C[C@H](NC(N)=O)C(=O)N[C@H]1CCN(c2ccnc(C#N)n2)C1 1096355120 DNXIWFXKEOFJGI-IUCAKERBSA-N 303.326 -0.900 30 20 DBED C[C@@H](C(=O)N[C@@H]1CCN(c2ccc(C#N)nn2)C1)S(C)(=O)=O 1096502930 XWGHBRZUALRFSI-GXSJLCMTSA-N 323.378 -0.524 30 20 DBED CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC#N)O1 1097841718 BCJXFEJIVQWJMC-RGDJUOJXSA-N 320.393 -0.133 30 20 DBED C[C@@H](CNC(=O)[C@]1(C)CCC(=O)N1)N=c1cc[nH]c(C#N)n1 1098238327 VAQCGKODJRIHRA-XPTSAGLGSA-N 302.338 -0.645 30 20 DBED C[C@@H](CNC(=O)[C@H]1CC(=O)N(C)C1)N=c1cc[nH]cc1C#N 1098346339 OPHAPCKRXBEDRU-QWRGUYRKSA-N 301.350 -0.230 30 20 DBED CC(=O)NCC(=O)N1CCC[C@H](N(C)c2ccc(C#N)nn2)C1 1098668379 YCWXIDPESIXVSK-ZDUSSCGKSA-N 316.365 -0.088 30 20 DBED C[C@@H](CCNC(=O)CCc1nc[nH]n1)N=c1cc[nH]c(C#N)n1 1099014632 BRVDIBXKPUKLOB-JTQLQIEISA-N 314.353 -0.172 30 20 DBED COCC#CCN1CC[C@H](NC(=O)Cc2ccon2)[C@@H](O)C1 1099745158 ZVTSPZAZZCEKAK-KBPBESRZSA-N 307.350 -0.582 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCN(Cc2ncccn2)C[C@@H]1O 1099832409 HAGBNVQMGCGHET-KGLIPLIRSA-N 318.377 -0.432 30 20 DBED Cc1nn(C)c(C)c1OCC(=O)N[C@@H]1CCN(CC#N)C[C@H]1O 1099833368 VEKGYRHLJLNUDC-CHWSQXEVSA-N 321.381 -0.509 30 20 DBED C=C(C)CCC(=O)N[C@@H]1CCN(CC(=O)NC(N)=O)C[C@H]1O 1099855768 MWSOCWQKAYMEBZ-GHMZBOCLSA-N 312.370 -0.911 30 20 DBED C#CCCN1CC[C@H](NC(=O)C(C)(C)NC(=O)NCC)[C@H](O)C1 1100024979 ROCVQRWRMZPMKZ-QWHCGFSZSA-N 324.425 -0.341 30 20 DBED C#CCCN1CC[C@H](NC(=O)CCN2CCCC2=O)[C@@H](O)C1 1100116091 LXYDEASJWSPXJH-KBPBESRZSA-N 307.394 -0.426 30 20 DBED CN(CCNC(=O)c1cn(C)c(=O)cn1)c1ccc(C#N)nn1 1100417728 GZPNJXXJZVAVGK-UHFFFAOYSA-N 313.321 -0.692 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H]1CCCN1c1cnc(F)cn1 1100830294 GXZBAZITDUGFRH-LLVKDONJSA-N 319.340 -0.160 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(c2nccn3nnnc23)CCO1 1104311718 JSGMCYQQJGHRGF-LLVKDONJSA-N 317.353 -0.193 30 20 DBED CC#CCNCc1cn(C2CN(C(=O)CN3CCCC3)C2)nn1 1105372651 RDKYEFGVMHNSGC-UHFFFAOYSA-N 316.409 -0.130 30 20 DBED N#Cc1cnc(NC[C@H](O)CNC(=O)Cc2cccnc2)cn1 1105820465 ZEYQUABENJKINX-ZDUSSCGKSA-N 312.333 -0.125 30 20 DBED CCn1ncc(C(=O)NC[C@H](O)CN=c2cc[nH]cc2C#N)n1 1105822486 QVLDGAWETZLROW-LLVKDONJSA-N 315.337 -0.811 30 20 DBED N#Cc1cnc(NC[C@H](O)CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)cn1 1106110321 NHFWGXMPZVUTCS-LOWDOPEQSA-N 317.349 -0.195 30 20 DBED Cc1nsc(NC[C@H](O)CNC(=O)c2cnn[nH]2)c1C#N 1106171475 APDCLUWTPAVFJI-SSDOTTSWSA-N 307.339 -0.356 30 20 DBED Cn1ccc(C(=O)NC/C=C\CN=c2cc[nH]c(C#N)n2)cc1=O 1107581201 JHPYZADTTDTFDA-IHWYPQMZSA-N 324.344 -0.133 30 20 DBED CC#CCN1CCO[C@@](C)(CNC(=O)c2cc(C(N)=O)c[nH]2)C1 1108305069 WAKSUKYXGNWNSR-INIZCTEOSA-N 318.377 -0.042 30 20 DBED CC[C@H](C)OCC(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1 1108533233 RKMKXBBJBBBYSQ-RYUDHWBXSA-N 308.382 -0.274 30 20 DBED C#CCCCCC(=O)N[C@@H]1CC(=O)N(C2CN(CCCO)C2)C1 1108537652 RAMBQENRJFFZQG-CQSZACIVSA-N 321.421 -0.036 30 20 DBED C[C@@H](CN(C)c1cnc(C#N)cn1)NC(=O)CC(=O)N(C)C 1109263902 OBTRZUVAJRBDLB-JTQLQIEISA-N 304.354 -0.233 30 20 DBED CN(CCCN=c1cc[nH]c(C#N)n1)C(=O)Cc1nc[nH]n1 1109516820 VCOMFJBNCDXJOI-UHFFFAOYSA-N 300.326 -0.609 30 20 DBED N#Cc1nccc(N2CC[C@@](O)(CNC(=O)c3ccon3)C2)n1 1111052463 RYHQMFMLMGZJPI-CQSZACIVSA-N 314.305 -0.293 30 20 DBED N#CCSCC(=O)N1C[C@@H]2CCC[C@]2(CNCC(N)=O)C1 1112264899 XANLJLGGNBQYPJ-FZMZJTMJSA-N 310.423 -0.053 30 20 DBED C=CCCO[C@H](C)C(=O)N1CCN(Cc2nnn(C)n2)CC1 1112676486 NCBNJKXWXPQULA-GFCCVEGCSA-N 308.386 -0.165 30 20 DBED Cn1ccc(CCC(=O)N2CCN(CC(=O)NCC#N)CC2)n1 1112897832 AZKUFKQQWJBORR-UHFFFAOYSA-N 318.381 -0.863 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)Cc2cnc(C)o2)CC1 1112960461 LITUDQWNGPUAQF-LBPRGKRZSA-N 318.377 -0.192 30 20 DBED C=CCOCC(=O)NC1[C@@H]2CN(CC(=O)Nc3ccon3)C[C@@H]12 1114051084 OIHNKUNJFUZBTP-GHMZBOCLSA-N 320.349 -0.138 30 20 DBED C[C@H](C(=O)NC(N)=O)N1C[C@@H]2C(NC(=O)C#CC3CC3)[C@H]2C1 1114257812 GOOSYGDNQNREDS-MIMYLULJSA-N 304.350 -0.970 30 20 DBED N#CCNC(=O)CN1C[C@@H]2C(NC(=O)CCOCC3CC3)[C@H]2C1 1114275850 OBBOCKBYILRTGY-STQMWFEESA-N 320.393 -0.511 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)C3(COC)CC3)[C@H]2C1 1114559362 ADYSZOLVKYPIOT-IMRBUKKESA-N 305.378 -0.791 30 20 DBED C=CCC[C@H](C)N1C[C@H]2[C@H](NC(=O)CN3CCNC(=O)C3)[C@H]2C1 1114662448 KNHSGDXVABXBCK-SZOQZIPDSA-N 320.437 -0.181 30 20 DBED C[C@@H](CCCNc1cncc(C#N)n1)NC(=O)Cn1ncnn1 1115011877 AWPDQEVUMJISLG-JTQLQIEISA-N 315.341 -0.268 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)[C@@H](C)CCOC)[C@@H]2C1 1115263013 HAPSQBDTDYNMRR-YNEHKIRRSA-N 307.394 -0.545 30 20 DBED N#CCNC(=O)CNC(=O)NC1CCN(C[C@@H]2CCOC2)CC1 1117418280 ASJIFMPHCVJZCQ-LBPRGKRZSA-N 323.397 -0.574 30 20 DBED C#CCNC(=O)CCNCC(=O)NCCN1CCCCCC1 1120503746 XWJGNZCOSNTGEG-UHFFFAOYSA-N 308.426 -0.292 30 20 DBED Cc1cc(=N[C@@H](CO)CNC(=O)Cn2cccn2)c(C#N)c[nH]1 1121054369 AZPMEVHWCNXEQK-CYBMUJFWSA-N 314.349 -0.531 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H](CO)CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 1122635757 KWUSALVHOJMAKB-BHPKHCPMSA-N 316.361 -0.168 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)c1cc[nH]n1 1123912346 XJPLGRKQHVZQMD-SECBINFHSA-N 308.342 -0.871 30 20 DBED Cc1n[nH]cc1C(=O)N(C)C[C@H](O)CNc1cnc(C#N)cn1 1124627967 MHERIOYSQQCUOC-LLVKDONJSA-N 315.337 -0.075 30 20 DBED CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)c1cc(C#N)c[nH]1 1125385208 IYOQUOXDGSVJRW-VIFPVBQESA-N 320.353 -0.560 30 20 DBED C#CCNC(=O)CC(=O)NCCNCc1noc(CCC)n1 1125978436 RHBJFQHWOOODQW-UHFFFAOYSA-N 307.354 -0.633 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1ncc(OC)cc1F 1128949120 HGHOMMVVBIVLKO-JTQLQIEISA-N 322.340 -0.313 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)CCCN(C)C)C1 1129204541 ICIVSQPCQOTCRV-KGLIPLIRSA-N 304.398 -0.405 30 20 DBED Cc1ccc2n[nH]cc2c1C(=O)NCCNCC(=O)NCC#N 1130599479 HLOSQPUCPQFKJG-UHFFFAOYSA-N 314.349 -0.170 30 20 DBED N#CCN1CCOC[C@@H]1c1n[nH]c(CNC(=O)C(F)F)n1 1130825495 JHKURJUTGOYYIC-SSDOTTSWSA-N 300.269 -0.417 30 20 DBED C=CCOCCNC[C@@H]1CN(C(=O)Cn2ncnn2)CC[C@@H]1C 1132825043 WZEYJJYZPZCNKD-UONOGXRCSA-N 322.413 -0.050 30 20 DBED C=CCNC(=O)CNCCNC(=O)Cc1ccc(OC)cn1 1132868179 ZRGLITMZWFQYJZ-UHFFFAOYSA-N 306.366 -0.359 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)c1cnns1 1133801644 ARIMINVPADOERH-ZJUUUORDSA-N 309.395 -0.226 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)Cc1cccnc1C 1133804379 PPUWTHUBVHKQKI-ZDUSSCGKSA-N 302.378 -0.224 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)CN1CCC[C@H]1C 1133831265 MPPWICUHGMDLPX-CQSZACIVSA-N 323.441 -0.061 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)CCc1cnn[nH]1 1135497830 VRGVFGUYZDGPMI-VXGBXAGGSA-N 320.397 -0.640 30 20 DBED C=CCOCC(=O)N1CC2(CCN([C@H]3CCN(C)C3=O)C2)C1 1147256529 XNTLTMVLZMIFJM-ZDUSSCGKSA-N 307.394 -0.046 30 20 DBED C#CCNC(=O)CN1CCCO[C@@H](CNC(=O)CSC)C1 1149091104 XSMMSNKKDQFBFJ-LBPRGKRZSA-N 313.423 -0.694 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CN(CC(=O)N2CCCC2)CCCO1 1149400691 XMDUTCZJXRJGDL-ZIAGYGMSSA-N 322.409 -0.024 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN([C@@H]2CCNC2=O)CCCO1 1149674561 YFHVJDOZAARADS-ZIAGYGMSSA-N 307.394 -0.259 30 20 DBED N#CCNC(=O)CNCCNC(=O)[C@@H]1COc2ccccc2O1 1149844641 VPTXWZOSONYTAV-ZDUSSCGKSA-N 318.333 -0.828 30 20 DBED C#CCOCCC(=O)NC[C@@H](C)N(CC)CCS(C)(=O)=O 1153302577 QOEYLPNCDAZCPY-CYBMUJFWSA-N 318.439 -0.103 30 20 DBED COCC#CCN1CC=C(CCNC(=O)[C@@H]2COC(=O)N2)CC1 1159996536 HPPVCLZHRIBKMA-AWEZNQCLSA-N 321.377 -0.117 30 20 DBED N#CCNC(=O)CNCCCNC(=O)c1ccc2c(c1)CCO2 1167234192 VGSDFDQSRGQIIZ-UHFFFAOYSA-N 316.361 -0.029 30 20 DBED CC#CCNCC1(CCNC(=O)[C@@H]2CCS(=O)(=O)N2)CC1 1168192537 VYMJRERGLVVWQC-LBPRGKRZSA-N 313.423 -0.423 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)c2ccncn2)C1=O 1168814539 MPTJXMQOQMZZQD-CYBMUJFWSA-N 303.366 -0.027 30 20 DBED CCN(CCC#N)C(=O)CNCCCNC(=O)c1cnon1 1168875320 NCPIVYLOPAYDSB-UHFFFAOYSA-N 308.342 -0.459 30 20 DBED C#CCNC(=O)CNCCCC[C@@H](C)NC(=O)[C@@H]1CCC(=O)N1 1176236288 AYGDTVWIOLVZQL-OLZOCXBDSA-N 322.409 -0.721 30 20 DBED CC#CCN1CCO[C@H]2CCN(C(=O)CCNC(=O)NC)C[C@@H]21 1176999876 KUAULFWTWKRCRH-KBPBESRZSA-N 322.409 -0.370 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)c2cnn(C)c2)[C@H]1C 1178089062 YYRVOHOBCLIITQ-DYEKYZERSA-N 317.393 -0.249 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)CC(=O)N(C)C)[C@H]1C 1179678421 OQZCMTLOEMNPEN-RYUDHWBXSA-N 310.398 -0.654 30 20 DBED CC#CCN[C@H]1CCN(C(=O)CN2C(=O)CN(C)C2=O)[C@H]1C 1180089309 WSHCSARSQFCTOU-RYUDHWBXSA-N 306.366 -0.517 30 20 DBED N#CCNC(=O)CN[C@@H]1CCN(C(=O)CCc2ccncn2)C1 1182912046 FQGOTYFOGLELOZ-CYBMUJFWSA-N 316.365 -0.761 30 20 DBED CNS(=O)(=O)CCC(=O)N1CC[C@H](CNCC#N)[C@H](C)C1 1184412600 UGSFIWITKPSVDD-VXGBXAGGSA-N 316.427 -0.477 30 20 DBED C[C@@H]1CN(C(=O)c2cnn[nH]2)CC[C@@H]1CNCC(=O)NCC#N 1184713762 URBAFDQIIRIART-GHMZBOCLSA-N 319.369 -0.868 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)CCN(C)CC)C1 1186817545 WZBQWLJSYDKBBS-ZIAGYGMSSA-N 308.426 -0.343 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)[C@H](C)COC)[C@@H]2C1 1187295714 FASSHJMADXCHOV-HZSPNIEDSA-N 307.394 -0.449 30 20 DBED N#CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3csnn3)[C@@H]2C1 1188698531 XKEAZAMUVDGNAI-GXSJLCMTSA-N 320.378 -0.676 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H](CC)OCC)C1 1191449841 SOEUEGFGOYMUDE-UPJWGTAASA-N 313.398 -0.735 30 20 DBED C=C(C)CCC(=O)N[C@@H]1CN([C@H](C)C(=O)NC(N)=O)C[C@H]1O 1193377618 TXRLHBUREIOTJU-GMTAPVOTSA-N 312.370 -0.913 30 20 DBED COCC#CCN(C)[C@H]1CCN(C(=O)CN2C(=O)CCC2=O)C1 1193915512 RUNDUBNEUSPWLG-ZDUSSCGKSA-N 321.377 -0.682 30 20 DBED COCC[C@@H](C)C(=O)N1CC[C@H](N(C)CC(=O)NCC#N)C1 1194143925 FGGFBKVQEBUXCQ-OLZOCXBDSA-N 310.398 -0.169 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)Cn2cncc2C)C1 1194721560 VFBJMNOLYDVRKI-ZIAGYGMSSA-N 308.382 -0.445 30 20 DBED CCc1cc(C(=O)N[C@@H]2CN(CC#CCOC)C[C@H]2O)n(C)n1 1197131104 QJERZTNSUSELBE-UKRRQHHQSA-N 320.393 -0.593 30 20 DBED C=CCC[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)CN2C(=O)CNC2=O)C1 1198445322 YGCMEJRBTYXAPI-IJLUTSLNSA-N 324.381 -0.946 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@](C)(NC(C)=O)C(C)C)C1 1199260458 CKSWCPFFZSUHPY-IIAWOOMASA-N 309.410 -0.278 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)[C@H](C)c2cnn(C)c2)C1 1199590743 KJTITMBOUSFRGZ-BPLDGKMQSA-N 322.409 -0.113 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)[C@@H]2C[C@H]3CC[C@H]2O3)CC1 1199859554 LDDHKYSWIVLSBM-RBSFLKMASA-N 319.405 -0.116 30 20 DBED C#CCNC[C@@H]1CN(C(=O)CNC(=O)N2CCCC2)CCCO1 1200499877 CWPCGYFXHICKJP-CQSZACIVSA-N 322.409 -0.368 30 20 DBED CCC(=O)N[C@H](C)C(=O)N1CCC(NCC(=O)NCC#N)CC1 1200711113 PBWVYAMHYZXIRR-LLVKDONJSA-N 323.397 -0.879 30 20 DBED C#CCNC[C@H]1CN(C(=O)Cc2cn(CC)nn2)CCCO1 1201041685 FVZJRNAXXCEQFG-AWEZNQCLSA-N 305.382 -0.319 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCC(NCC(=O)NCC)CC1 1201094195 OSBXVSWUCMDYAQ-HNNXBMFYSA-N 320.437 -0.199 30 20 DBED CCS(=O)(=O)CC(=O)N1CCCO[C@@H](CNCC#N)C1 1202155279 XMBICZPUBJRRRV-NSHDSACASA-N 303.384 -0.848 30 20 DBED C#CCNC(=O)[C@H](C)NC1CCN(C(=O)c2nonc2C)CC1 1204100507 IQDNKKBNASUFQZ-NSHDSACASA-N 319.365 -0.290 30 20 DBED COCC#CCN[C@H]1C[C@H]2CC[C@H]1N(C(=O)Cn1cncn1)C2 1204947838 HTXUJADODRSTMG-QLFBSQMISA-N 317.393 -0.103 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2cnn(C)c2)[C@H](C)C1 1205909296 KNBFOOQTXVMVKZ-DGCLKSJQSA-N 303.366 -0.780 30 20 DBED CC#CCN[C@H]1CCCN(C(=O)Cn2ccc(=O)n(C)c2=O)C1 1208278960 DNCOMXIQVRXVFQ-ZDUSSCGKSA-N 318.377 -0.849 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCN(C(=O)CC2=CCOCC2)C1 1209492299 BMEQMDGSZYOTDB-CQSZACIVSA-N 320.393 -0.056 30 20 DBED C=CCC[C@@H](C)N1C[C@@H](NC(=O)Cn2cnnn2)[C@H](OC)C1 1211823364 XPMRWCQQNGGHQS-JHJVBQTASA-N 308.386 -0.157 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)CN2CCCC2)[C@H](OC)C1 1213860214 WXAYMMPCIHGNHT-ZIAGYGMSSA-N 324.425 -0.800 30 20 DBED C#CCCN[C@@H]1CN(C(=O)CN2C(=O)NC(=O)C2(C)C)C[C@H]1C 1216205437 RSERSFHFGJLUTF-VXGBXAGGSA-N 320.393 -0.223 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@H](C)OCC=C)C[C@H]1C 1216930225 KFNJHOSWBCXGCW-HZSPNIEDSA-N 307.394 -0.237 30 20 DBED CCC(CC)NC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H](C)C#N)C1 1219383304 JZUALAFNUIMESE-UHTWSYAYSA-N 310.398 -0.388 30 20 DBED C[C@H](C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@@H]1O)C(C)(C)C 1219882147 VLLKEFPEJLCRNZ-UTUOFQBUSA-N 310.398 -0.530 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@H](C)OCC=C)C1 1221141382 PLUXQAPJHWQBGW-XQQFMLRXSA-N 311.382 -0.959 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)C[C@H](C)OC)CC1 1222600019 LFAJXHCAMNFJAS-ZDUSSCGKSA-N 309.410 -0.011 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC(CNC(=O)c2cnon2)CC1 1224893829 BYWNZEOCZZHZDB-LLVKDONJSA-N 319.365 -0.351 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCCC[C@H]1NCc1nnnn1C 1226178023 CRIBICWRRNVZIB-CHWSQXEVSA-N 320.397 -0.233 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)CCc2nc[nH]n2)CC1 1226819292 SDFSAEQXNHCBKL-UHFFFAOYSA-N 320.397 -0.380 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@H]1CN(C)C(=O)c1cnccn1 1230637744 JOVJEPYTYLZOTF-OLZOCXBDSA-N 315.377 -0.239 30 20 DBED CO[C@H](C)CS(=O)(=O)NCCN/C(O)=C1\N=CC=CC1=O 1256167610 JVEYCIWWUOIUPK-JFJDQEMCSA-N 317.367 -0.533 30 20 DBED C#CC1CCN(C(=O)C(=O)NC[C@H](C)S(C)(=O)=O)CC1 1261468980 QNYILKRRYAHVFZ-JTQLQIEISA-N 300.380 -0.593 30 20 DBED CN(C(=O)C(=O)N1CC[C@@](O)(CC#N)C1)C1CCC(CO)CC1 1261484952 NULQVFKGDVSQLX-ZUEPYMLJSA-N 323.393 -0.127 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(Cc2nnnn2C2CC2)C1 1267723229 SYQBMFJUICCFLK-NSHDSACASA-N 306.370 -0.099 30 20 DBED N#CCNC(=O)CNC[C@H]1CCCCN1C(=O)c1csnn1 1272985300 NHDUJBKLSDCWEQ-SNVBAGLBSA-N 322.394 -0.238 30 20 DBED N#CCSCC(=O)N1CCN(C(=O)N2CCOCC2)CC1 1317982462 WMMOGHRHINWRIY-UHFFFAOYSA-N 312.395 -0.160 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H]1CCN(CC(=O)Nc2ccon2)C1 1318253441 QEHOIPRHKCUCEM-RYUDHWBXSA-N 320.349 -0.158 30 20 DBED C=CC[C@@H](CC)NC(=O)C(=O)Nc1ncn(CC(=O)NC)n1 1321337476 BXNAFPOPOLCMCV-SECBINFHSA-N 308.342 -0.567 30 20 DBED C#CCOCCNC(=O)C(=O)NCCS(=O)(=O)C(C)(C)C 1322814642 MREVNCRRGFOXTE-UHFFFAOYSA-N 318.395 -0.918 30 20 DBED CN(C)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCO[C@@H](C#N)C2)C1 1323532473 FRVRLWPUDONPEL-XQQFMLRXSA-N 308.382 -0.274 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CCC2(CC1)CNC(=O)C2 1323588663 UXIGHIVNXLTHFP-LLVKDONJSA-N 309.366 -0.568 30 20 DBED C=CC[C@H](CC)NC(=O)C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 1326982226 ZZKDILMDJYWRPH-WDEREUQCSA-N 317.411 -0.393 30 20 DBED C#CCNC(=O)C1CCN(S(=O)(=O)N=S(C)(C)=O)CC1 1329307008 LXKVDFHHWUATEY-UHFFFAOYSA-N 321.424 -0.580 30 20 DBED CC(=O)N1C[C@H]2CN(C(=O)C(=O)N(C)C[C@H](C)C#N)C[C@H]2C1 1336469077 UCOSSRLNABNJLO-RTXFEEFZSA-N 306.366 -0.459 30 20 DBED C=CCNC(=O)COC(=O)c1cn(Cc2noc(C)n2)nn1 1344413562 DZNYFXXGXGYWGO-UHFFFAOYSA-N 306.282 -0.523 30 20 DBED C=CCOCCNC(=O)C(=O)N1CCC(N(C)C(C)=O)CC1 1350030145 YEIRLBRNERYFJB-UHFFFAOYSA-N 311.382 -0.226 30 20 DBED C#CCCn1nnnc1N1CCC[C@@H](n2cc(CO)nn2)C1 1355766956 QNITZPMSZNGEJE-GFCCVEGCSA-N 302.342 -0.378 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC(O)(CN(C)C)CC1 1364049702 YAMTWMRJDHXDCY-LBPRGKRZSA-N 318.443 -0.146 30 20 DBED N#Cc1cn(CCNC(=O)NC[C@H]2CCCO2)c(=O)nc1O 1367337515 TXNNWZZMYMGMRY-SNVBAGLBSA-N 307.310 -0.701 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CCN(C(=O)C(C)(C)S(C)(=O)=O)C1 1372306144 WNUBJLGMQUZBBF-UWVGGRQHSA-N 315.395 -0.314 30 20 DBED COCCN(CCNC(=O)[C@@H](C)C#N)C(=O)[C@@]1(F)CCOC1 1384410236 LIJWMXLQKCKWMP-SMDDNHRTSA-N 315.345 -0.134 30 20 DBED C[C@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)[C@@H]1COCCO1 1386716754 VPDJPESXEFRAPU-SKDRFNHKSA-N 306.322 -0.464 30 20 DBED CCC(=O)NCC(=O)N[C@H](C)CNC(=O)c1ccc(C#N)[nH]1 1386718796 FVYBKYBRLVVPAO-SECBINFHSA-N 305.338 -0.353 30 20 DBED CCC[C@@H](NC(N)=O)C(=O)N1CC[C@H](NC(=O)[C@@H](C)C#N)C1 1397156778 LLXDFIHHBBYEMS-GARJFASQSA-N 309.370 -0.300 30 20 DBED COCCn1cc(C(=O)N(C)CCNC(=O)[C@@H](C)C#N)cn1 1398012823 KFYNDZBLZKHVGL-NSHDSACASA-N 307.354 -0.123 30 20 DBED CO[C@@H](C)C(=O)N1CCN(CCN(C)C(=O)[C@@H](C)C#N)CC1 1398469795 XTSPIEJIIYDCBH-STQMWFEESA-N 310.398 -0.216 30 20 DBED CCCN(C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1O 1406279689 USGWGPVGASEIGQ-YNEHKIRRSA-N 310.398 -0.434 30 20 DBED Cc1cc(C(=O)NC[C@@]2(O)CCN(C(=O)[C@@H](C)C#N)C2)n(C)n1 1411146464 KYOYWTIYEBKXCZ-BONVTDFDSA-N 319.365 -0.419 30 20 DBED N#Cc1ncn(CCNC(=O)N[C@H](CCO)C(F)(F)F)n1 1413821636 YYYZTQXDWPMYAV-SSDOTTSWSA-N 306.248 -0.238 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)CN(C)C(=O)C2CC2)C1 1430147903 XDAGNRXDPKQHOD-DLOVCJGASA-N 306.366 -0.222 30 20 DBED CCS(=O)(=O)CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)C#N 1432503758 XHUMUGBMBVZYBM-VWYCJHECSA-N 313.379 -0.608 30 20 DBED Cc1cc(C)n(CC(=O)NCCn2cc(C#N)c(O)nc2=O)n1 1434206298 FTJJWOYVFWDGBT-UHFFFAOYSA-N 316.321 -0.550 30 20 DBED CNC(=O)NC(=O)CN1CC2(CCN(C(=O)[C@@H](C)C#N)CC2)C1 1444548085 QWOLJRLLOXWAHD-NSHDSACASA-N 321.381 -0.474 30 20 DBED N#Cc1cn(CCC(=O)N2CC[C@@](F)(C#N)C2)c(=O)nc1O 1447741202 COAQSNSFJPHYOZ-CYBMUJFWSA-N 305.269 -0.325 30 20 DBED COCCN(CCNC(=O)[C@H](C)C#N)C(=O)Cn1cncn1 1452152976 VXTPUTYLXZAULJ-LLVKDONJSA-N 308.342 -0.971 30 20 DBED CCCS(=O)(=O)CC(=O)NC[C@@H](C)NC(=O)[C@@H](C)C#N 1452678998 GKROPVGUSUEWHK-VHSXEESVSA-N 303.384 -0.408 30 20 DBED CCN1CC[C@@H](N2CCN(CCNC(=O)[C@@H](C)C#N)CC2)C1=O 1479928434 MSBFMVGOEAVAFN-UONOGXRCSA-N 321.425 -0.499 30 20 DBED CN(CCNC(=O)c1cc(C#N)c[nH]1)C(=O)[C@H]1CCC(=O)N1 1495938571 ULZFMZQXBDIGGI-SNVBAGLBSA-N 303.322 -0.647 30 20 DBED C[C@@H](C#N)C(=O)N(CCNC(=O)c1ccc(=O)n(C)n1)C1CC1 1497571271 TYYBQVJHKJXVEL-JTQLQIEISA-N 317.349 -0.339 30 20 DBED C=CCn1c(N2CCO[C@H](COC)C2)nnc1[C@@]1(O)CCOC1 1520626856 DOOIVDNJPNSTJL-SWLSCSKDSA-N 324.381 -0.076 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H](C)CNC(=O)CCCc1cnn[nH]1 1575013325 NWAVNIZYTVIFAL-NWDGAFQWSA-N 321.381 -0.213 30 20 DBED C#Cc1cccc(NC(=O)C(=O)N2CC[C@](O)(C(=O)O)C2)c1 1588523485 MAZKGYGXBDQCNN-OAHLLOKOSA-N 302.286 -0.346 30 20 DBED C=CCCC[C@H](NC(=O)c1cnn(C[C@@H](O)CO)c1)C(=O)O 1588798020 RJCKDOUAMYNRAA-NEPJUHHUSA-N 311.338 -0.224 30 20 DBED C=CCOC[C@H](NC(=O)c1cnc2c(c1)nnn2C)C(=O)O 1588859939 BXESHDWLWYYKOV-JTQLQIEISA-N 305.294 -0.251 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H](C[C@H]1CCCO1)C(=O)O 1589330548 JJGJQEDGRPZCNS-MXWKQRLJSA-N 319.383 -0.065 30 20 DBED CC(C)C#CC(=O)NC[C@@H](O)CNc1ncc(C(=O)O)cn1 1590927672 HTAWJPFCFCHURD-LLVKDONJSA-N 306.322 -0.277 30 20 DBED CC(C)C#CC(=O)NC[C@H](O)CNc1ncc(C(=O)O)cn1 1590927673 HTAWJPFCFCHURD-NSHDSACASA-N 306.322 -0.277 30 20 DBED CN(C(=O)c1ccc(C#N)[nH]1)C1CN(C(=O)[C@H]2C[C@@H]2C(=O)O)C1 1598083137 LJNAYZWDFRCMFL-QWRGUYRKSA-N 316.317 -0.110 30 20 DBED N#C[C@@]1(C(=O)N[C@@H]2CCCCN(CC(=O)O)C2=O)CCCOC1 1605577107 WXUJOZRWDHLCOR-ABAIWWIYSA-N 323.349 -0.111 30 20 DBED COC(=O)c1nscc1S(=O)(=O)N(CC#N)CC(=O)O 1610220793 NWDAYCMAHGWBTM-UHFFFAOYSA-N 319.320 -0.471 30 20 DBED N#Cc1cncc(S(=O)(=O)N2CCC[C@H](O)[C@@H]2C(=O)O)c1 1610633382 IDUVNVJVEPNMJP-WDEREUQCSA-N 311.319 -0.448 30 20 DBED C#CCNC(=O)CNC[C@H]1CCCN1C(=O)c1coc(OC)n1 1666443763 RSDSXWGSQUEOTF-LLVKDONJSA-N 320.349 -0.373 30 20 DBED COCC#CCN[C@H](CNC(=O)[C@@H]1CCN(C)C(=O)C1)C1CC1 1752470548 HDDPYSFFMLPXCV-HUUCEWRRSA-N 321.421 -0.011 30 20 DBED N#CCNC(=O)CNC[C@H]1CCN(C(=O)[C@@H]2CC2(F)F)C1 1752937096 ZLBHEICUDOFQHQ-ZJUUUORDSA-N 300.309 -0.281 30 20 DBED C#CCNC(=O)CN(C)CCNC(=O)c1cncc2[nH]ccc12 1753056533 YSIDPMUBCJFUTH-UHFFFAOYSA-N 313.361 -0.026 30 20 DBED C=CCCCN1CC(CNC(=O)CN(C)S(C)(=O)=O)C1 1753404661 NSZPNCVYQYIZES-UHFFFAOYSA-N 303.428 -0.108 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@H](CC)CNC(=O)c1cnn(C)c1N 1753473104 PWDCALBLELPQAW-GHMZBOCLSA-N 322.413 -0.209 30 20 DBED C#CCNC(=O)CN[C@H](CC)CNC(=O)C[C@H]1CCN(C)C1 1753495027 COTZTROCYDIYKO-ZIAGYGMSSA-N 308.426 -0.438 30 20 DBED C#CCNC(=O)CNC1(CNC(=O)c2nc[nH]n2)CCCC1 1753670354 ZMVXMUCLABNGQQ-UHFFFAOYSA-N 304.354 -0.814 30 20 DBED C=CCN1CC[C@H](NC[C@@H](O)CNC(=O)c2c[nH]nc2C)C1=O 1753921894 MKIFWYOLKJCRMV-YPMHNXCESA-N 321.381 -0.815 30 20 DBED C=CCCNC[C@@H](O)CNC(=O)C[C@@H]1CCCS(=O)(=O)C1 1753934323 VFQFSTLQFSWKLK-QWHCGFSZSA-N 318.439 -0.156 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2nonc2C)[C@H](C)C1 1754603299 ITUAQLGEFDBCOQ-ZYHUDNBSSA-N 319.365 -0.290 30 20 DBED C=C(Cl)CN1CC[C@](O)(CNC(=O)C(=O)NCC2CC2)C1 1754760935 SKNGFFSUDHDSFN-AWEZNQCLSA-N 315.801 -0.182 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(Cc2ncc(CC)o2)C1 1754768084 ZPHOUXKCZYJHGL-UHFFFAOYSA-N 321.377 -0.060 30 20 DBED CC#CCN1CC(O)(CNC(=O)CS(=O)(=O)C(C)(C)C)C1 1754778225 SIKDAQCLYNVRRJ-UHFFFAOYSA-N 316.423 -0.614 30 20 DBED C=CCNC(=O)NC(=O)CN1C[C@H]2C[C@@H](NC(C)=O)C[C@H]1C2 1754781073 QRVDKEVKEZHZFW-YNEHKIRRSA-N 308.382 -0.013 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)CNC(=O)CCC(C)C 1754972629 MJRJQBHQZNPDLL-AWEZNQCLSA-N 309.410 -0.011 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCO[C@@H](CNCc2cnnn2C)C1 1754999365 HAGMFKSYONIBQS-ZFWWWQNUSA-N 323.397 -0.541 30 20 DBED C#CCCNC[C@H]1CN(C(=O)Cn2cc(C3CC3)nn2)CCO1 1755003464 NTIJOAKEQHSIGE-AWEZNQCLSA-N 317.393 -0.004 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC[C@](CO)(NCc2cnon2)C1 1755083117 KBIQKTLKOVBNIG-DOMZBBRYSA-N 322.365 -0.449 30 20 DBED C=CCOCCN[C@H](C)[C@@H]1CN(C(=O)c2nnn(C)n2)CCO1 1755446886 XTMAENZIIKTCBP-NEPJUHHUSA-N 324.385 -0.768 30 20 DBED COCC#CCNC[C@@H](O)CN(C)C(=O)c1ccc(C#N)[nH]1 1755778831 XXVQBZHLNYBPRZ-CYBMUJFWSA-N 304.350 -0.441 30 20 DBED C=CCCNC[C@@H](O)CN(C)C(=O)[C@H]1CCCCS1(=O)=O 1755780325 CWMMWMZYXCFZNS-CHWSQXEVSA-N 318.439 -0.061 30 20 DBED C=CCNC[C@H](O)CN(C)C(=O)c1ccc(S(N)(=O)=O)o1 1755790382 HNDCTQCZVSIKQA-VIFPVBQESA-N 317.367 -0.865 30 20 DBED C[C@H](NC(=O)c1c[nH]c(=O)cn1)[C@@H](C)NC(=O)CSCC#N 1755963321 AMSOWPVEUSCGLA-BDAKNGLRSA-N 323.378 -0.350 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)CN(C)C(=O)[C@H](O)C(C)C 1756448326 QGNWRSBOQJWGGV-BXUZGUMPSA-N 311.382 -0.894 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1OC 1757128526 AVTCAWSRFZGYEE-JHJVBQTASA-N 307.350 -0.472 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](O)[C@@H](C)CC)CCO2 1783046154 CIFQECBHTYSFDF-BJJXKVORSA-N 308.378 -0.144 30 20 DBED N#CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccno1 1794736848 KAVWDJWCQJDAMO-DDFAGTSDSA-N 304.306 -0.209 30 20 DBED COC[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC(=O)O 1801986687 WOPABCSUYQYKAU-RVMXOQNASA-N 322.361 -0.005 30 20 DBED N#CCC(=O)N1CCCC12CN(C(=O)[C@@H]1CCC(=O)NC1)C2 1842620833 BFYCYWBVFFAGRG-LLVKDONJSA-N 304.350 -0.370 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)C2(O)CCCC2)CC1 113433459 LHTYWKIMJXXOQM-UHFFFAOYSA-N 307.394 -0.425 30 20 DBED N#Cc1cccc(N2CCN(C(=O)CN3CCOCC3)CC2)n1 265527669 NBAVGCDBTYBPKH-UHFFFAOYSA-N 315.377 -0.066 30 20 DBED CCn1cc(C#N)c(=O)n(CC(=O)N[C@@H]2CCSC2=O)c1=O 266154457 XZTOQGAHVWCOJE-SECBINFHSA-N 322.346 -0.950 30 20 DBED Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NCC#N)[C@@H](C)O)cc1 272482364 QRNXZZZUQLMVCJ-ZYHUDNBSSA-N 311.363 -0.338 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCN(C(=O)C(=O)NC(C)C)CC1 278512014 AQURGFVHNDXNDS-OAHLLOKOSA-N 311.382 -0.491 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCS(=O)(=O)N1CCSCC1 278869743 MXVWPPTXKLDIJN-GFCCVEGCSA-N 322.452 -0.192 30 20 DBED CO[C@H]1CCN(/C(O)=N/C[C@H]2CCN(S(C)(=O)=O)C2)C1 328730091 HUALIVIHOLPFRO-MNOVXSKESA-N 305.400 -0.097 30 20 DBED C[C@H](O)CN1CCN(/C(O)=N/C[C@H]2CCCS2(=O)=O)CC1 329277352 KTJJSJJCRKUUMC-NWDGAFQWSA-N 319.427 -0.524 30 20 DBED CN1CCO[C@@H]2CN(/C(O)=N/CCC3(O)CCOCC3)C[C@H]21 329389838 URPVIWJIFALNEF-CHWSQXEVSA-N 313.398 -0.153 30 20 DBED CN1CCN(CC/N=C(/O)c2cnc3c(c2)nnn3C)CC1 329648520 BPANZTNYWIDRQB-UHFFFAOYSA-N 303.370 -0.085 30 20 DBED COCCN1CC[C@H](/N=C(/O)N2CCO[C@H](COC)C2)C1 330935851 PIXGFXNPYHXYSR-STQMWFEESA-N 301.387 -0.032 30 20 DBED C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)Cn1cnc(C#N)n1 331284083 MKQORZHSURDCIJ-LLVKDONJSA-N 306.370 -0.547 30 20 DBED N#Cc1ncn(CC(=O)N2CCN(Cc3ccncc3)CC2)n1 332274579 HEIKPKMJEJIDOA-UHFFFAOYSA-N 311.349 -0.111 30 20 DBED CN1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)C(C)(C)C1 336897266 SYBWKKBAMZJGQB-NSHDSACASA-N 302.400 -0.518 30 20 DBED CCNC(=O)CN(CC)S(=O)(=O)N(CCC#N)CCOC 336923702 UWAQQGQBZZTHNK-UHFFFAOYSA-N 320.415 -0.449 30 20 DBED C=CC[C@@H](CO)NC(=O)Cn1ccc2c(=O)n(C)c(=O)n(C)c21 337042104 BZJFVSYCOUCDCC-JTQLQIEISA-N 320.349 -0.908 30 20 DBED N#C[C@H]1CN(S(=O)(=O)N2CCN(C3CCC3)CC2)CCO1 337080841 XRZNBQWCRFJFQE-ZDUSSCGKSA-N 314.411 -0.374 30 20 DBED CCN(CCC#N)S(=O)(=O)NCCN1CCOC[C@H]1C 337086664 FHIYHMLHVTYPMT-GFCCVEGCSA-N 304.416 -0.223 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N1CSC[C@H]1C(=O)N(C)C 337844310 WMXDFNZBETYNDW-ZJUUUORDSA-N 320.440 -0.072 30 20 DBED COc1ccc(-c2nnn(CC(=O)NCC#N)n2)cc1OC 342784112 RGTUWWQFOUGIOE-UHFFFAOYSA-N 302.294 -0.003 30 20 DBED N#Cc1c(N)n[nH]c1CCCN=c1ccc(S(N)(=O)=O)c[nH]1 343318337 GKLPYXMDGSVTMW-UHFFFAOYSA-N 321.366 -0.627 30 20 DBED C[C@H](C(=O)NC1(C#N)CCC1)N1CCC[C@@H](S(N)(=O)=O)C1 346565114 MBJQQWIWTJTJQP-GHMZBOCLSA-N 314.411 -0.310 30 20 DBED C=CCSCCNC(=O)C(=O)N1CC[C@@H](NC(=O)NC)C1 355289317 CYDMDYPVKNQFSY-SNVBAGLBSA-N 314.411 -0.448 30 20 DBED C=CCNC(=O)CN1CCN(c2nccn3cnnc23)[C@@H](C)C1 441045945 MLXQUHMIOBQOLG-LBPRGKRZSA-N 315.381 -0.063 30 20 DBED COCCN(CC#N)C(=O)CCn1nc2ccccn2c1=O 457182428 MFQJDIBHNLUZMK-UHFFFAOYSA-N 303.322 -0.115 30 20 DBED C#CCN1CCN(C(=O)CN[C@@H](C)[C@@H](C)C(=O)OCC)CC1 491192534 PRHAXTPHUCWKBL-KGLIPLIRSA-N 309.410 -0.059 30 20 DBED C#CCn1ccc(CN(CC)CN2C(=O)C(=O)N(C)C2=O)n1 491788104 YVWUWEYRQRCKNS-UHFFFAOYSA-N 303.322 -0.284 30 20 DBED C#CCN1CCN(C(=O)CN2CC[C@H](c3n[nH]c(C)n3)C2)CC1 491808602 DTQMXYRUACXGOC-AWEZNQCLSA-N 316.409 -0.320 30 20 DBED CCOC(=O)N1CCN(C(=O)Cn2cnc(C#N)cc2=O)CC1 496475145 RVYCLZFVEISJBO-UHFFFAOYSA-N 319.321 -0.584 30 20 DBED CC[C@@](C)(C#N)NC(=O)Cn1ccc2c(=O)n(C)c(=O)n(C)c21 524770293 RRRHWCLBXTUCET-HNNXBMFYSA-N 317.349 -0.153 30 20 DBED C=C(C)CN1CCC(NC(=O)NCCN2CCNC(=O)C2)CC1 540976589 LFUIBRXPNDSRRQ-UHFFFAOYSA-N 323.441 -0.242 30 20 DBED C[C@H]1CN(C(=O)C(=O)Nc2cccc(C#N)n2)C[C@@H](CO)O1 564948074 QXCDMPYDEYXJGO-ONGXEEELSA-N 304.306 -0.500 30 20 DBED C[C@@H]1CO[C@@H](CO)CN1C(=O)C(=O)Nc1cccc(C#N)n1 567834847 JUMUJJNSYYGHJK-MWLCHTKSSA-N 304.306 -0.500 30 20 DBED COC(=O)[C@H]1C[C@H](O)CN(S(=O)(=O)c2ccc(C#N)o2)C1 592110650 BBLBOOBJQIHKFM-IUCAKERBSA-N 314.319 -0.304 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N1CC(N2CC[C@@H](O)C2)C1 593651288 CMFJJCHFTDHRSC-CMPLNLGQSA-N 302.400 -0.784 30 20 DBED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N1CC(NS(C)(=O)=O)C1 637117275 NWEGLYWTOHICIS-ZYHUDNBSSA-N 317.411 -0.089 30 20 DBED C=CCCn1cc(C(=O)NCC(C)(C)NS(C)(=O)=O)nn1 644633073 OFDMQQANHDWGCR-UHFFFAOYSA-N 315.399 -0.088 30 20 DBED C=CCCOCCNC(=O)NC1CC(NS(C)(=O)=O)C1 669875979 KBAXOLUHJVZLDN-UHFFFAOYSA-N 305.400 -0.042 30 20 DBED C=CCOC[C@H]1NC(=O)N(CC(C)(C)S(C)(=O)=O)C1=O 672062649 BSORDGKUXDQULH-SECBINFHSA-N 304.368 -0.067 30 20 DBED Cc1ccc(C=c2sc(=C(C#N)C#N)n(CC(N)=O)c2=O)cc1 727162619 OWGQEFFVRRKQDX-UHFFFAOYSA-N 324.365 -0.270 30 20 DBED CC(=O)N1C[C@@H](C(=O)OCC(=O)NCC#N)Oc2ccccc21 731236531 WKCWFUZZUXFSLZ-ZDUSSCGKSA-N 317.301 -0.017 30 20 DBED Cn1cc(C(=O)[C@H](C#N)C(=O)NC2CCCC2)c(=O)n(C)c1=O 735207468 ROFUMPNJYPIHRF-JTQLQIEISA-N 318.333 -0.535 30 20 DBED CC[C@@H](C#N)OC(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1 786200063 IXMPRYVLJVUSLR-ZETCQYMHSA-N 315.307 -0.498 30 20 DBED CC(=O)N1CC(C(=O)OCC(=O)N(CCC#N)CCC#N)C1 788154995 AMNWCAVILHLTSM-UHFFFAOYSA-N 306.322 -0.336 30 20 DBED Cc1ccn(C[C@](C)(O)C(=O)OCC(=O)NCCC#N)c(=O)c1 790701091 VRWBWJMEMSBXBV-HNNXBMFYSA-N 321.333 -0.519 30 20 DBED C#Cc1cncc(C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)c1 806428574 JNHXJNKZDCRIRM-UHFFFAOYSA-N 322.390 -0.373 30 20 DBED C#C[C@H](NC(=O)C(=O)N1C[C@H](C)O[C@H](COC)C1)[C@@H]1CCCO1 809310743 RKRLLTBEZVYGML-XUXIUFHCSA-N 324.377 -0.454 30 20 DBED C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N(C)C)cc1 811831034 QAQDGYPBJINNHG-UHFFFAOYSA-N 324.358 -0.157 30 20 DBED C#Cc1cccc(CNC(=O)C(=O)N(C[C@H](C)O)[C@H](C)CO)c1 817846105 MYQMPRYSPIGPEP-OLZOCXBDSA-N 318.373 -0.126 30 20 DBED C#CC[C@H](CO)NC(=O)Cc1cccc(OCC(=O)NC)c1 820059397 DLGXUPWWWJQTEY-CYBMUJFWSA-N 304.346 -0.146 30 20 DBED O=C1CC[C@@](C(=O)N[C@H]2CCN(O)C2=O)(c2ccccc2)CN1 820137851 SUHVSQCCKYCOLQ-LRDDRELGSA-N 317.345 -0.059 30 20 DBED C=CCNC(=O)NC(=O)CN(CCC(=O)O)C1CCOCC1 825687188 DAONKATWKHQCDD-UHFFFAOYSA-N 313.354 -0.046 30 20 DBED C[C@@H](CC(=O)O)N1CCN(C(=O)Cn2cnc(C#N)n2)CC1 827369208 QWPKJFFORBDVHO-JTQLQIEISA-N 306.326 -0.843 30 20 DBED CS(=O)(=O)Nc1ccc(C(=O)N[C@H]2CNC[C@@H]2C#N)cc1 834516789 LZZGOMHERYFVIT-JQWIXIFHSA-N 308.363 -0.101 30 20 DBED N#Cc1ccc(NCCNC(=O)C2(S(N)(=O)=O)CC2)nc1 845179118 DFKRFOFRHOUJQE-UHFFFAOYSA-N 309.351 -0.698 30 20 DBED C#CCN(CC(=O)O)S(=O)(=O)c1c[nH]c(C(=O)OC)c1 849219467 XJPQBSXPLCSDRI-UHFFFAOYSA-N 300.292 -0.490 30 20 DBED C#CC[C@@H](CO)NC(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1 854546519 HPBUHEBHUMKFGI-CABZTGNLSA-N 309.347 -0.783 30 20 DBED C#CC[C@H](CCOC)NC(=O)c1cc(S(N)(=O)=O)cn1C 863791411 DPZRKBAGXYBONI-SNVBAGLBSA-N 313.379 -0.169 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@]23CCC[C@@H]2NCC3)C1=O 877393102 PFCMMLGXOOKXJY-BONVTDFDSA-N 320.349 -0.636 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)CN(C)C(=O)[C@H](C)n1cccn1 920546771 DMQWVCDGFRNWAT-RYUDHWBXSA-N 320.349 -0.416 30 20 DBED CS(=O)(=O)c1ccc(CNC(=O)NCC#CCO)s1 923774367 YPABJHQGNAJADU-UHFFFAOYSA-N 302.377 -0.054 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](N(C)C(=O)c2c[nH]c(=O)cn2)C1 939397606 PVMAGVMUYDDLRZ-UWVGGRQHSA-N 303.322 -0.398 30 20 DBED C=CC(C)(C)C(=O)N1CCO[C@H](CNC(=O)c2cnnn2C)C1 944578278 DJJMQYOKDLLBOX-LLVKDONJSA-N 321.381 -0.016 30 20 DBED C#CCCN1CC[C@H](NC(=O)CN2CC(=O)NC2=O)C[C@H]1C 947818707 APMAVZIDJBPEKQ-NEPJUHHUSA-N 306.366 -0.469 30 20 DBED C=CCCN1CCC2(CC1)CN(C(=O)Cn1cnnn1)CCO2 949021322 MTULVQLCMJIFNZ-UHFFFAOYSA-N 320.397 -0.057 30 20 DBED CNC(=O)CN1CCC2(CC1)CN(C(=O)C#CC1CC1)CCO2 949092275 RSLVNIWKVZNIAB-UHFFFAOYSA-N 319.405 -0.161 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CCC[C@H](C1)N2C(=O)[C@H]1COC(=O)N1 952784494 LVXAOLJUSYUHPI-NNYUYHANSA-N 320.349 -0.154 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@]2(CCN(C(=O)Cn3nccn3)C2)C1 953174132 GJQCJMICTKRQNI-IUODEOHRSA-N 316.365 -0.111 30 20 DBED C=CCn1cc(C(=O)N2CC(N(C)C(=O)c3ncc[nH]3)C2)nn1 954227761 PKABWUZXAQZERS-UHFFFAOYSA-N 315.337 -0.216 30 20 DBED CN1CCO[C@H](C(=O)N[C@@]2(C)CCN(C(=O)C#CC3CC3)C2)C1 956793157 YCHJMCJHQOBRPK-YOEHRIQHSA-N 319.405 -0.162 30 20 DBED CCN(C(=O)c1cn([C@@H]2CCOC2)nn1)C1CN(CC#N)C1 957111572 PODPDBUHCWTBDB-LLVKDONJSA-N 304.354 -0.091 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cn(C(C)(C)C)nn2)C1 958125859 CPZWUNFINATKOX-WCQYABFASA-N 305.382 -0.311 30 20 DBED C#CCN1CCC(C(=O)NC[C@@H]2CN(CC=C)C[C@@H]2O)CC1 958723695 IXGCXNLDQASRCV-CVEARBPZSA-N 305.422 -0.074 30 20 DBED COc1ccc2ncc(C(=O)NC3[C@@H]4CN(CC#N)C[C@@H]34)n2n1 960648831 ASMNSNDRDJXWSX-NXEZZACHSA-N 312.333 -0.079 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H]2CN(C(=O)c3ncn(C)n3)C[C@@H]21 960879380 BRQGREGXDFJHAS-OUAUKWLOSA-N 318.337 -0.973 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)C12CCN(CC1)C2 964263622 RTTZALNAMWWRLC-CHWSQXEVSA-N 320.393 -0.415 30 20 DBED C[C@H](C#N)C(=O)N1CC2(C[C@@H](NC(=O)c3ccnnc3)CO2)C1 965830084 SAFNJONFMMZLNS-ZYHUDNBSSA-N 315.333 -0.264 30 20 DBED CC#CCN1C[C@H]2CC[C@H]1CN2C(=O)Cn1nc(C)n(C)c1=O 972070126 OOBUEPWKUPBWOP-UONOGXRCSA-N 317.393 -0.411 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)[C@H]3CCC(=O)N(C)C3)[C@H]2C1 976663145 RSZDFTKXIUVADC-MOWSAHLDSA-N 318.377 -0.413 30 20 DBED C#CCN1C[C@@H]2C(CNC(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)[C@H]2C1 978534551 ZFCMAUPREGBZDM-BHQQPIICSA-N 304.390 -0.035 30 20 DBED C#CCCN1C[C@@H]2C(CNC(=O)[C@@H]3CCCN3C(N)=O)[C@H]2C1 979111532 FFEDWAISDLFMIW-MCIONIFRSA-N 304.394 -0.153 30 20 DBED C#CCN(C)C1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)CC1 985687780 LCCCDVAIQOUTTJ-UHFFFAOYSA-N 318.377 -0.746 30 20 DBED C[C@H](NC(=O)c1nnn(C)n1)C1CCN(C(=O)[C@H](C)C#N)CC1 986991184 AAPQESSRZXQJRV-ZJUUUORDSA-N 319.369 -0.273 30 20 DBED C[C@H]1CN(C(=O)CNC2CCN(C(=O)[C@@H](C)C#N)CC2)CCO1 990315878 VXIHTHRDJOVLCZ-STQMWFEESA-N 322.409 -0.026 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)Cc3ccn(C)n3)C2)nc1 997088784 VTGOAIBLUGCHCW-UHFFFAOYSA-N 323.356 -0.020 30 20 DBED C[C@@]1(CC(=O)N2CCC(NCC#N)CC2)CCS(=O)(=O)N1 997210109 HKDHEWVBWGRQOU-ZDUSSCGKSA-N 314.411 -0.438 30 20 DBED CN1C(=O)CC[C@@H]1C(=O)NC1CN(C(=O)c2ccc(C#N)[nH]2)C1 998074679 QKSHEHWDQWHXJF-GFCCVEGCSA-N 315.333 -0.552 30 20 DBED C#CCN[C@H]1CCCN(C(=O)c2coc(S(N)(=O)=O)c2)C1 999558270 XICVBDBIXYOXMR-NSHDSACASA-N 311.363 -0.246 30 20 DBED C#Cc1ccc(C(=O)N2CC(CNC(=O)c3ncn(C)n3)C2)nc1 1001729280 ZPWRBUVDLVYGMH-UHFFFAOYSA-N 324.344 -0.307 30 20 DBED O=C1NCCC[C@@H]1C(=O)NCC1CN(C(=O)C#CC2CC2)C1 1002528131 CWJTYOQEEXBVSZ-ZDUSSCGKSA-N 303.362 -0.499 30 20 DBED C[C@@H](C#N)C(=O)N1CC(CNC(=O)c2cc(=O)n(C)cn2)C1 1002843604 NFCBKQVBVSRSDJ-VIFPVBQESA-N 303.322 -0.872 30 20 DBED C=CCn1cc(C(=O)N2CC(CNC(=O)c3cnn[nH]3)C2)nn1 1003128388 XKAVATRHGKGYTB-UHFFFAOYSA-N 316.325 -0.916 30 20 DBED C[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCCN1C(=O)C(N)=O 1014850117 DXTTZUITZVZKGD-SCZZXKLOSA-N 303.322 -0.519 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2CC[C@H](C)N(C(=O)C(N)=O)C2)nc1 1018299009 PDKBSZFLUFXTML-JQWIXIFHSA-N 314.345 -0.343 30 20 DBED C=CCN[C@H]1C[C@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 1020449595 OBJONGLOMNQHQS-MGCOHNPYSA-N 302.342 -0.270 30 20 DBED C#CCN1[C@H]2CC[C@H]1CC(NC(=O)CN1C(=O)CNC1=O)C2 1021454616 ONAHNKFKVNHKNL-RYUDHWBXSA-N 304.350 -0.717 30 20 DBED C#CCN1CCC[C@H](CNC(=O)c2cc(=O)n3[nH]cnc3n2)C1 1023700616 VQTDXERGFIBUIF-LLVKDONJSA-N 314.349 -0.507 30 20 DBED Cc1cncn1CC(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1024698785 BUWGKCSFOKXZFB-ZIAGYGMSSA-N 316.361 -0.707 30 20 DBED CN(CC#N)[C@H]1CCCN(C(=O)[C@H]2CCc3nnc(O)n3C2)C1 1027470323 KZDQZJOGFLTNIQ-RYUDHWBXSA-N 318.381 -0.008 30 20 DBED C#CCN(C)[C@@H]1CCCN(C(=O)Cn2ccc(O)nc2=O)C1 1027483220 NAIPLHVUEHDDCV-GFCCVEGCSA-N 304.350 -0.495 30 20 DBED C#CCCN1CC(NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 1030718452 ZBPJMONDPOWBIU-CVEARBPZSA-N 321.421 -0.310 30 20 DBED Cn1c(O)ncc(C(=O)N[C@H]2CCCCN(CC#N)C2)c1=O 1034346549 ZZBBIKUWKXYXFX-JTQLQIEISA-N 305.338 -0.406 30 20 DBED C#CCN[C@H]1CC[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)CC1 1034659146 NMMJAJZHVQWQLB-JOCQHMNTSA-N 318.377 -0.803 30 20 DBED C=CCN[C@H]1CCN(C(=O)CN2CCN(C)C(=O)C2)C[C@@H]1C 1036083593 YYUYCOQRSZSCFQ-KBPBESRZSA-N 308.426 -0.227 30 20 DBED CC(C)C#CC(=O)NC[C@@]1(O)CCN(C(=O)[C@H](O)C(C)C)C1 1039664753 WYRXSCAGOVTUHO-ZBFHGGJFSA-N 310.394 -0.258 30 20 DBED O=C(C#CC1CC1)NC[C@]1(O)CCN(C(=O)[C@H]2CCOC2)C1 1039677419 HRUACUDHYNNUES-XJKSGUPXSA-N 306.362 -0.484 30 20 DBED C[C@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)c2ccc(O)nn2)C1 1040759486 BLCKBWTXQAVUGJ-YMTOWFKASA-N 319.321 -0.965 30 20 DBED C[C@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)C2CCOCC2)C1 1040762217 GWKUINDQDCFDHP-IAQYHMDHSA-N 309.366 -0.348 30 20 DBED CS[C@@H](C)C(=O)N1CC(O)(CNC(=O)CSCC#N)C1 1041567959 CBJJRVNCFUQHMN-VIFPVBQESA-N 317.436 -0.316 30 20 DBED C=CCCO[C@H](C)C(=O)NCC1(O)CN(C(=O)c2nc[nH]n2)C1 1041873473 FJFSETFPIJBTIN-SNVBAGLBSA-N 323.353 -0.911 30 20 DBED C[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1NC(=O)c1cnn(C)n1 1042057859 ITDQMPTYBMLKCJ-BXKDBHETSA-N 312.337 -0.269 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(O)CN(C(=O)c2coc(C)n2)C1 1042806767 JJLLCUOPGOLMKH-AWEZNQCLSA-N 323.349 -0.387 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2occc2C)C1 1043036097 IWOCOMLTTFLHIA-LBPRGKRZSA-N 320.345 -0.071 30 20 DBED C=C(C)C(C)(C)C(=O)N1CC(O)(CNC(=O)c2cnn(C)n2)C1 1043890279 JPROIQLWHWIASD-UHFFFAOYSA-N 321.381 -0.280 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)CN3CCCC3)C2)nn1 1043972064 WIGFUWCWTURBLW-OLZOCXBDSA-N 316.365 -0.890 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(O)(CNC(=O)c2ccncn2)C1 1045164840 GTDVDACSINWTII-CQSZACIVSA-N 320.349 -0.893 30 20 DBED C#CCC1(C(=O)N2CC(O)(CNC(=O)c3cnon3)C2)CCC1 1045192910 JIPUYGCEKOWJTO-UHFFFAOYSA-N 318.333 -0.434 30 20 DBED C=C[C@@H](C)[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2cnon2)C1 1045197245 OUQFAWWALXDVPE-NXEZZACHSA-N 308.338 -0.169 30 20 DBED C=CCn1cc(C(=O)N[C@@]2(C)CCN([C@H](C)C(=O)NC)C2)nn1 1046681337 NNNMZNUHYBIIEL-ABAIWWIYSA-N 320.397 -0.207 30 20 DBED C=CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CNC(C)=O)C1 1048083688 IYWIGJHVKMDZRW-STQMWFEESA-N 311.382 -0.491 30 20 DBED COCC(=O)N1CCC[C@H](N(CCO)c2ccc(C#N)nn2)C1 1049132486 PWJHNQMMHDKVMS-ZDUSSCGKSA-N 319.365 -0.216 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)c1cnc(N(C)C)cn1 1050918198 RTKHDPZFXHEPAZ-GFCCVEGCSA-N 303.366 -0.394 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2COCCN2CC#CC)nn1 1051156067 NZZPOWCJHCDPCR-ZDUSSCGKSA-N 303.366 -0.082 30 20 DBED CC#CCN1CCOC[C@@H]1CNC(=O)[C@@H]1CCCN1C(C)=O 1051217722 TVFRCGUBXFYCBA-GJZGRUSLSA-N 307.394 -0.162 30 20 DBED N#Cc1cnc(N2CC[C@H](NC(=O)c3cnon3)[C@H](O)C2)cn1 1051719310 SDMBPVZFBDJYAQ-GXSJLCMTSA-N 315.293 -0.899 30 20 DBED C[C@H](C#N)C(=O)N1CCOC2(C1)CN([C@@H]1CCCN(C)C1=O)C2 1053191397 QCGCZLSJAFSQQE-CHWSQXEVSA-N 320.393 -0.320 30 20 DBED C=C(C)CN1CC2(C[C@@H](NC(=O)[C@H]3CN(C)C(=O)N3)CO2)C1 1053890450 AXGUGNIJGLVTRU-VXGBXAGGSA-N 308.382 -0.454 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)[C@H]3CCCCN(C)C3=O)CO2)C1 1053980666 BGHXLZIOUCSGJP-ZIAGYGMSSA-N 319.405 -0.162 30 20 DBED C=CCOCC(=O)N1CCC[C@@](CO)(NC(=O)COCC)C1 1055731026 BPJZRSSMIJAUHR-OAHLLOKOSA-N 314.382 -0.305 30 20 DBED COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCN(c2ccc(C#N)nn2)CC1 1055734522 AZLBTOOQABZVKW-NWDGAFQWSA-N 315.333 -0.194 30 20 DBED N#Cc1cncc(N2CCN(C(=O)C[C@@H]3COC(=O)C3)CC2)n1 1055769394 MFJARKPYDZSJAK-NSHDSACASA-N 315.333 -0.050 30 20 DBED N#Cc1ccc(N2C[C@H]3[C@H](NC(=O)Cc4nc[nH]n4)[C@H]3C2)cn1 1056298667 YEQGCHONOOYCKT-JYAVWHMHSA-N 309.333 -0.135 30 20 DBED N#Cc1ccc(N2C[C@@H]3C(NC(=O)Cc4nc[nH]n4)[C@H]3C2)nn1 1056298988 YWNVSYPBXSSYMG-UWVGGRQHSA-N 310.321 -0.740 30 20 DBED N#Cc1ccc(N2C[C@@H]3C(NC(=O)c4c[nH]c(=O)cn4)[C@H]3C2)nc1 1056388382 DSMBIMRCCPWANG-QWRGUYRKSA-N 322.328 -0.099 30 20 DBED N#Cc1ccc(N[C@@H]2CCN(C(=O)[C@H]3CNC(=O)N3)C2)cn1 1056764281 OYBLTLXKWVDHJK-VXGBXAGGSA-N 300.322 -0.353 30 20 DBED CN(c1ccnc(C#N)n1)[C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 1057013237 ZPUMBYQLEIVGJH-UWVGGRQHSA-N 315.337 -0.933 30 20 DBED CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)CSCC#N 1057026487 AIOIRMIIBHMNBQ-NSHDSACASA-N 317.411 -0.395 30 20 DBED Cc1cc(C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N)n(C)n1 1057104991 ILUUGXYWQDQOPM-JTQLQIEISA-N 307.354 -0.561 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)c1cc(C)on1 1057193146 AUQAYZQZGMBQCN-UHFFFAOYSA-N 311.338 -0.264 30 20 DBED C#CCNC(=O)CC(=O)N(CCO)CCNC(=O)C[C@H]1C[C@H]1C 1057394835 BHVDUNSQAVVWBH-CHWSQXEVSA-N 323.393 -0.891 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)c1cnn(CC)n1 1057501556 OKTDYIWFRGMTSP-UHFFFAOYSA-N 321.381 -0.348 30 20 DBED C=C[C@@](C)(CC)C(=O)NCCN(CCO)C(=O)Cn1nccn1 1057701264 YNHZMEBCJATLPQ-HNNXBMFYSA-N 323.397 -0.183 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)[C@H](C)Cc1cnc[nH]1 1057710860 BJWKBZCLYJCBKG-VXGBXAGGSA-N 321.381 -0.315 30 20 DBED C=C(C)CCC(=O)N(CCO)CCNC(=O)[C@H](C)NC(N)=O 1057804754 SMTOXYIGIZOAQD-NSHDSACASA-N 314.386 -0.663 30 20 DBED Cc1nc(CC(=O)N[C@H]2CCN(c3cnc(C#N)cn3)C2)n[nH]1 1058352082 KTWCKSSHFCSOHS-JTQLQIEISA-N 312.337 -0.288 30 20 DBED Cc1nc(N2CC[C@H](NC(=O)Cn3ncnn3)C2)ccc1C#N 1058451821 FRGZFSDOVUQGLM-LBPRGKRZSA-N 312.337 -0.357 30 20 DBED C=C(C)C[C@H](C)C(=O)N(CCO)CCNC(=O)c1cnnn1C 1058463899 JSEUCJVQWSITBR-LBPRGKRZSA-N 323.397 -0.032 30 20 DBED N#Cc1nccnc1N1CC[C@@H](NC(=O)C[C@H]2CCNC2=O)C1 1058465234 NMPIRAWHDWZTHL-GHMZBOCLSA-N 314.349 -0.431 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)c1ccncn1 1058502154 SONHQTIPGHYHPH-UHFFFAOYSA-N 308.338 -0.770 30 20 DBED CCn1ncc(C(=O)N(CCO)CCNC(=O)[C@H](C)C#N)c1C 1058532149 NITGGHAUGIGYLP-LLVKDONJSA-N 321.381 -0.078 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)CN1CCC[C@H]1C 1058657116 QYUPUCWJHLWRMF-QWHCGFSZSA-N 310.398 -0.433 30 20 DBED CC[C@@H]1[C@@H](C(=O)NCCN(CCO)C(=O)[C@H](C)C#N)CCN1C 1058661182 QMIWSTIYUIRCDY-HZSPNIEDSA-N 324.425 -0.187 30 20 DBED Cn1oc(C(=O)N2CC[C@H](N=c3cc[nH]cc3C#N)C2)cc1=O 1058855895 OVOGSHSXQVHIEY-NSHDSACASA-N 313.317 -0.007 30 20 DBED CCc1nc(C#N)cc(N[C@H]2CCN(C(=O)CC(N)=O)C2)n1 1058858720 UOEJJQWLVPIVRH-VIFPVBQESA-N 302.338 -0.201 30 20 DBED N#Cc1nccnc1N[C@@H]1CC[C@@H]2CN(C(=O)CC(N)=O)C[C@@H]21 1060523203 LEHFVJRZZULHMT-OUAUKWLOSA-N 314.349 -0.127 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCOC[C@H]1CNC(=O)c1ncc[nH]1 1061558168 LMLGIPUSAAYXOR-NWDGAFQWSA-N 320.349 -0.595 30 20 DBED C=CCCOCC(=O)NC[C@@H]1COCCN1C(=O)[C@H](C)OC 1061666689 POQAVJMXYPPKKK-QWHCGFSZSA-N 314.382 -0.042 30 20 DBED C#CCCCC(=O)N1CCOC[C@H]1CNC(=O)c1cnon1 1061806862 XJPPKIMVDPVZLK-LLVKDONJSA-N 306.322 -0.170 30 20 DBED CN(C(=O)c1cnnn1C)[C@H]1CCN(c2cncc(C#N)n2)C1 1062928376 HYWMCPPMAXTAAI-NSHDSACASA-N 312.337 -0.172 30 20 DBED CN(C(=O)c1nnn(C)n1)[C@H]1CCN(c2ccc(C#N)nc2)C1 1063012379 DRFDSJHYYASIID-LBPRGKRZSA-N 312.337 -0.172 30 20 DBED N#Cc1cnc(NC[C@H]2CCCN2C(=O)[C@H]2C[C@H]2C(N)=O)cn1 1063559277 KSJFEUUHRCXTBX-UTUOFQBUSA-N 314.349 -0.127 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CN(C(=O)Cc2cnn(C)c2)CCO1 1064949303 YQHWWNOBWNRZDH-WCQYABFASA-N 319.365 -0.534 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CN(C(=O)Cc2cc[nH]n2)CCO1 1065004445 CAUWSMGHJKVQGX-ZYHUDNBSSA-N 305.338 -0.545 30 20 DBED C#CCCCC(=O)N1CCO[C@@H](CNC(=O)[C@@H]2COC(=O)N2)C1 1065093214 SJNNQJOJNDRTCX-RYUDHWBXSA-N 323.349 -0.758 30 20 DBED C[C@]1(NC(=O)[C@H]2COCCO2)CCN(c2nccnc2C#N)C1 1065210245 LUQWEHUHGYOYDF-DOMZBBRYSA-N 317.349 -0.151 30 20 DBED N#CCSCC(=O)N[C@H]1CCCN(C(=O)CC(N)=O)CC1 1065876478 CGXPLEVRBYCMPZ-JTQLQIEISA-N 312.395 -0.384 30 20 DBED N#Cc1ccc(N2C[C@H]3CN(C(=O)c4nc[nH]n4)C[C@H]3C2)nn1 1066017305 FWMMHLRSABAZSD-AOOOYVTPSA-N 310.321 -0.325 30 20 DBED C#CCNC(=O)CC(=O)N(C)CCCN(C)C(=O)[C@H](C)OC 1066949253 KJNNWDVCTARWOP-LBPRGKRZSA-N 311.382 -0.532 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](CNC(=O)c3cn[nH]c3)C2)nn1 1067651856 QTDAARJLKBESGK-PWSUYJOCSA-N 313.321 -0.702 30 20 DBED CC(C)C#CC(=O)N1CC2(C[C@@H](NC(=O)c3cnon3)CO2)C1 1068977025 CGAASEFDPRMTSG-LLVKDONJSA-N 318.333 -0.171 30 20 DBED C#CCOCCC(=O)N1CC2(C[C@@H](NC(=O)[C@H](C)C#N)CO2)C1 1069008844 VSQVUXSJKZZFMJ-CHWSQXEVSA-N 319.361 -0.328 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)[C@H]4OCCO[C@H]4C)C[C@@]3(C1)O2 1070813589 VIUVQHVIJACOCA-KSXIZUIISA-N 320.389 -0.275 30 20 DBED C=CCN1CCO[C@@H]2CCN(C(=O)C3CS(=O)(=O)C3)C[C@H]21 1074248311 DHEZUTWQBPTFFT-CHWSQXEVSA-N 314.407 -0.481 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)c3cnn(C)c3OC)C[C@H]21 1074392218 GQQDQNJURWIMRI-ZIAGYGMSSA-N 318.377 -0.023 30 20 DBED C=CCOCC(=O)NCC[C@H](C)NC(=O)CS(C)(=O)=O 1075917954 PMZBZKIAIQJVPP-JTQLQIEISA-N 306.384 -0.755 30 20 DBED C#CCNC(=O)CC(=O)N(C)[C@@H]1CCCN(C(=O)COC)CC1 1078921896 YYHGTBZJUGQYFG-CYBMUJFWSA-N 323.393 -0.388 30 20 DBED CCN(C(=O)[C@H]1C[C@H]1C(N)=O)C1CN(C(=O)C#CC(C)C)C1 1080564499 XYSVPDIRVMZRIF-OLZOCXBDSA-N 305.378 -0.174 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@H](CNC(=O)CCOC)C1 1081147391 OQUWOJDLIUJOFN-NEPJUHHUSA-N 300.355 -0.839 30 20 DBED N#Cc1c[nH]c(C(=O)N2C[C@H](O)[C@H](CNC(=O)C(F)F)C2)c1 1081149033 DJKQDOXLPMGIIK-SCZZXKLOSA-N 312.276 -0.299 30 20 DBED C=CCC(C)(C)C(=O)N1C[C@H](O)[C@H](CNC(=O)c2nc[nH]n2)C1 1081652712 FFULWHULOPIBQA-MNOVXSKESA-N 321.381 -0.044 30 20 DBED CC#CCN1C[C@@H](NC(=O)[C@H]2CCc3nncn3C2)[C@H](OC)C1 1082382130 QGBPIJYGBQKNEV-BFHYXJOUSA-N 317.393 -0.321 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2cccnc2-n2cccn2)C1 1083688119 AOUBFJBNGYPAAC-OLZOCXBDSA-N 312.333 -0.434 30 20 DBED C=C(C)CN1CC[C@@H]2CN(C(=O)[C@@H]3CC(=O)NC(=O)N3)[C@@H]2C1 1084690209 NGMZTXOMQRJQBN-GRYCIOLGSA-N 306.366 -0.307 30 20 DBED N#Cc1ccc(C(=O)NC[C@H]2C[C@@H](N[C@@H]3CCNC3=O)C2)[nH]1 1086064626 XYZUSNHECXVTTE-SUZMYJTESA-N 301.350 -0.127 30 20 DBED C#CCN[C@@H]1CCCCCN(C(=O)Cn2cnc(C(N)=O)n2)C1 1088315719 GKJGNWAGXCNNJM-GFCCVEGCSA-N 318.381 -0.629 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2cnc(N(C)C)cn2)[C@@H](O)C1 1090267886 DUIWSXCWTMIOKU-OCCSQVGLSA-N 317.393 -0.269 30 20 DBED CC(=O)NCC(=O)N1CC[C@H]2CN(c3ccnc(C#N)n3)C[C@H]21 1090284348 VNYSKIBGDQBGMO-NWDGAFQWSA-N 314.349 -0.479 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)c2cn(C)c(=O)cn2)[C@@H](O)C1 1090442211 QUVFLTJLZHDWJY-YPMHNXCESA-N 306.366 -0.479 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1O 1090489273 ZVVZFVSQIFXVRC-CYZMBNFOSA-N 315.333 -0.948 30 20 DBED C#CCN1CC[C@H](NC(=O)c2ccc(NC(N)=O)cc2)[C@H](O)C1 1090783712 NETXRLJTTREGFP-UONOGXRCSA-N 316.361 -0.025 30 20 DBED CO[C@@H](C)C(=O)N[C@@H]1CN(c2ncc(C#N)cc2F)C[C@@H]1O 1091067702 NPYHWHKWEMLYRP-AXTRIDKLSA-N 308.313 -0.207 30 20 DBED COCCCC(=O)N[C@@H]1CCN(c2cnc(C#N)cn2)C[C@@H]1O 1092136102 DISIVQWNIDZNBH-OLZOCXBDSA-N 319.365 -0.169 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1CNC(=O)c1cc(=O)n2[nH]cnc2n1 1093131646 VSKILRQJKFDESB-NXEZZACHSA-N 315.337 -0.761 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCN(c2cc(C)nc(CO)n2)CC1 1093179034 QGDCTVMHIZNSBH-ZDUSSCGKSA-N 318.377 -0.036 30 20 DBED Cc1nsc(N2C[C@H]3[C@H](NC(=O)CC(N)=O)[C@H]3C2)c1C#N 1093229860 WQCLKCAIRFFSHC-GDGBQDQQSA-N 305.363 -0.251 30 20 DBED COC(=O)NCC(=O)NC1[C@H]2CN(c3cnc(C#N)cn3)C[C@H]12 1093240090 QNURAEALIOBOKK-UWVGGRQHSA-N 316.321 -0.745 30 20 DBED C#CCCN1CC(OC2CCN(C(=O)[C@@H]3CCNC3=O)CC2)C1 1093559007 HKYPSPZWBOOVRO-OAHLLOKOSA-N 319.405 -0.162 30 20 DBED CNC(=O)C1(C(=O)NCCNc2ccc(C#N)nn2)CCC1 1093769778 USKIYWQATFBOHX-UHFFFAOYSA-N 302.338 -0.207 30 20 DBED COCC(=O)N[C@@H](C)C(=O)NCCNc1ccc(C#N)c(C)n1 1094185252 MNCLWJCYWYGIOA-NSHDSACASA-N 319.365 -0.059 30 20 DBED COCC(=O)NCCC(=O)NCCNc1nccnc1C#N 1094198443 PDZJWRSQMABHKR-UHFFFAOYSA-N 306.326 -0.971 30 20 DBED C#CCN1CC(n2cc(CNC(=O)c3cnc(C)n3C)nn2)C1 1094313816 DLCNVYDJDRLKNS-UHFFFAOYSA-N 313.365 -0.260 30 20 DBED N#Cc1ccc(NCCCNC(=O)[C@H]2CC[C@@H]2C(N)=O)nn1 1094704005 UEQHESXEOKQYHW-QWRGUYRKSA-N 302.338 -0.222 30 20 DBED N#CCN1CC(N2C[C@@H](NC(=O)CN3CCCC3)CC2=O)C1 1094818190 YPPMLVHNMKSWDY-LBPRGKRZSA-N 305.382 -0.993 30 20 DBED N#Cc1cnc(NCCCNC(=O)CN2CCCNC2=O)cn1 1094885173 LCKYTLSJUOMDET-UHFFFAOYSA-N 317.353 -0.318 30 20 DBED N#Cc1cnc(N[C@@H]2CCN(C(=O)C(=O)NCC3CC3)C2)cn1 1095054555 QFCZZRQMFUIEOG-LLVKDONJSA-N 314.349 -0.113 30 20 DBED CNC(=O)CC(=O)N1CC[C@H](N(C)c2nc(C)cc(C#N)n2)C1 1095113886 WHFRGBBXZJDKDI-LBPRGKRZSA-N 316.365 -0.170 30 20 DBED N#Cc1cnc(N[C@@H]2CCCN(C(=O)CCNC(N)=O)C2)cn1 1095295444 AMKUTKMOQFEXRY-SNVBAGLBSA-N 317.353 -0.190 30 20 DBED COC[C@@H](OC)C(=O)N[C@@H]1CCN(c2ccc(C#N)nn2)C1 1096482061 HHGYUMWVLJFBHR-VXGBXAGGSA-N 305.338 -0.295 30 20 DBED CNC(=O)NCC(=O)N1CC[C@H](Nc2nc(C)cc(C#N)n2)C1 1096979633 ALRRQERAAPUBHT-JTQLQIEISA-N 317.353 -0.402 30 20 DBED C[C@H](CNC(=O)[C@@H]1CCS(=O)(=O)N1)Nc1ccc(C#N)nc1 1097875457 UOWYJURANXRBIY-SKDRFNHKSA-N 323.378 -0.438 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H](C)Nc1nccn2nnnc12 1098061925 WXZJNUQSWDHHSL-VHSXEESVSA-N 303.326 -0.526 30 20 DBED C[C@@H](CNC(=O)C[C@H]1CCNC1=O)Nc1nccnc1C#N 1098098180 VHWHUWBNQUGUTP-VHSXEESVSA-N 302.338 -0.209 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCC(=O)N1C)N=c1cc[nH]cc1C#N 1098230892 UVHPXIXOMRZQCJ-GXFFZTMASA-N 301.350 -0.087 30 20 DBED CC(C)(C)C#CC(=O)N1CCC(N(CCO)CC(N)=O)CC1 1098364042 IJUPFTORODDJOX-UHFFFAOYSA-N 309.410 -0.194 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCC(=O)NC1)Nc1ccc(C#N)nn1 1098397651 RJGDPIYHWZAOMT-UWVGGRQHSA-N 302.338 -0.209 30 20 DBED Cn1cc(C(=O)N2CCC(N(CC#N)CCO)CC2)nc1O 1098467665 OSSLFHPXHJFLNX-UHFFFAOYSA-N 307.354 -0.452 30 20 DBED C=CCNCc1cn([C@@H]2CCN(C(=O)c3cn(C)nn3)C2)nn1 1098666697 DYGRRWXNDUUOAS-GFCCVEGCSA-N 316.369 -0.231 30 20 DBED N#CCNCc1cn([C@H]2CCN(C(=O)[C@]3(F)CCOC3)C2)nn1 1098706313 XXTAULYTIPLDRL-JSGCOSHPSA-N 322.344 -0.207 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CCN(Cc2cnn(C)n2)C[C@H]1O 1099820665 JBFCSXJROMKPRT-ZIAGYGMSSA-N 305.382 -0.474 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CCc2ccncn2)[C@@H](O)C1 1099855304 GATALMHPPMFZNT-CABCVRRESA-N 302.378 -0.016 30 20 DBED CN(CCNC(=O)c1c[nH]c(C#N)c1)c1nccn2nnnc12 1100037886 YAKVRIZOTMCVMR-UHFFFAOYSA-N 311.309 -0.415 30 20 DBED C=CCn1cc(C(=O)NCC2CC(NC[C@@H](O)COC)C2)nn1 1100739140 JEYKTURPIKWPNC-WXRRBKDZSA-N 323.397 -0.431 30 20 DBED CS(=O)(=O)CC(=O)NC[C@H]1CCN(c2ccc(C#N)cn2)C1 1100961531 LIRPIFNZZNVXDP-GFCCVEGCSA-N 322.390 -0.060 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1CNC(=O)c1cn[nH]c1 1101746596 GGJNGJCWJNRGAC-ZYHUDNBSSA-N 304.354 -0.653 30 20 DBED Cc1nc(NCCN(C)C(=O)Cn2ncnn2)ccc1C#N 1101800525 OHLBDVRGBBSRLM-UHFFFAOYSA-N 300.326 -0.181 30 20 DBED C=CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1102254912 POOXMCWBGOKKGQ-FAHYXWLWSA-N 321.421 -0.135 30 20 DBED CC[C@@H](CNC(=O)[C@H](C)NC(N)=O)Nc1cnc(C#N)cn1 1103045528 AEHUIHICLSBJKN-IUCAKERBSA-N 305.342 -0.288 30 20 DBED CN(CCN(C)c1nccnc1C#N)C(=O)[C@@H]1COCCO1 1105338724 DCMUMEWUCJZXKX-LBPRGKRZSA-N 305.338 -0.342 30 20 DBED N#Cc1nc(=NC[C@@H](O)CNC(=O)Cc2ccsc2)cc[nH]1 1105713290 YKGRRFWRNIGDIB-LLVKDONJSA-N 317.374 -0.037 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](O)CNC(=O)c2cn[nH]c2)n1 1105717836 CNHGGNGMQSKORM-NSHDSACASA-N 301.310 -0.417 30 20 DBED Cc1nn(C)cc1C(=O)NC[C@H](O)CNc1ccc(C#N)nn1 1105761715 APJHCGDDBLAHFT-LLVKDONJSA-N 315.337 -0.407 30 20 DBED CC(C)(C)C(=O)C(=O)NC[C@H](O)CNc1cnc(C#N)cn1 1105766430 ZATJCKWZVWGUBI-SNVBAGLBSA-N 305.338 -0.148 30 20 DBED CC(C)C#CC(=O)NC[C@@H](O)CNc1nccn2nnnc12 1105811455 BDQYLRPIJIPXMG-SNVBAGLBSA-N 303.326 -0.932 30 20 DBED CC(C)(C)OCC(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1 1105830979 SVXMZKJFLNYICR-SNVBAGLBSA-N 307.354 -0.526 30 20 DBED CN1CC[C@@H](CC(=O)NC[C@H](O)CNc2cnc(C#N)cn2)C1 1105913527 DZDOEDFENPEYBX-WCQYABFASA-N 318.381 -0.421 30 20 DBED CC(C)[C@@H](C(=O)NC[C@H](O)CNc1cncc(C#N)n1)N(C)C 1105917676 MVYGXIJRNBGHEI-OCCSQVGLSA-N 320.397 -0.177 30 20 DBED C[C@H](CCNc1ccc(C#N)nn1)NC(=O)[C@@H]1CN(C)CCO1 1106293826 LDAYLVISMOBWKX-YPMHNXCESA-N 318.381 -0.014 30 20 DBED C[C@@H](CCNc1ccc(C#N)nn1)NC(=O)CCNC(N)=O 1106329235 ZBKJRGJKZQAXRR-VIFPVBQESA-N 305.342 -0.287 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)[C@H]1C[C@@H]1C(=O)OC 1106698688 IOSSRJFPXRMALV-QWRGUYRKSA-N 317.349 -0.160 30 20 DBED Cc1[nH]nc(C(=O)NC/C=C\CN=c2cc[nH]c(C#N)n2)c1O 1107125914 FMKNNJBUVOOEFU-IHWYPQMZSA-N 313.321 -0.095 30 20 DBED CC(C)(C(N)=O)C(=O)NC/C=C/CN=c1cc[nH]cc1C#N 1107386458 JEEPCUKWFGOMRI-ONEGZZNKSA-N 301.350 -0.029 30 20 DBED C[C@@H](C(=O)N[C@H](C)CN=c1cc[nH]c(C#N)n1)N1CCOCC1 1107823573 FLHVGVFIRTZNEK-NEPJUHHUSA-N 318.381 -0.593 30 20 DBED CC#CCN1CCO[C@](C)(CNC(=O)[C@@]2(C)CNC(=O)C2)C1 1108093130 QRMNYVNXLSQFIA-HZPDHXFCSA-N 307.394 -0.257 30 20 DBED C=CCOCC(=O)N1CCN(CC#N)[C@H]2CS(=O)(=O)C[C@H]21 1108465742 VOTCKTWYNGYSFA-NWDGAFQWSA-N 313.379 -0.978 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CC(=O)N(C2CN(Cc3ccon3)C2)C1 1108528386 WFUVKCBIOZQESB-ZYHUDNBSSA-N 317.349 -0.264 30 20 DBED CC#CCN1CC(N2C[C@@H](NC(=O)CCN(C)C)CC2=O)C1 1108570035 URKFUJKLFMBGGY-ZDUSSCGKSA-N 306.410 -0.637 30 20 DBED CSCC(=O)N1C[C@H]2C[C@H](NCC(=O)NCC#N)C[C@H]1C2 1108611568 FOTFCWWAFXYEHH-SDDRHHMPSA-N 310.423 -0.042 30 20 DBED C[C@@H](CNc1cnc(C#N)cn1)NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 1108706910 PROHNFDTRJLHPJ-INTQDDNPSA-N 318.337 -0.702 30 20 DBED C[C@@H](CNc1ccc(C#N)nc1)NC(=O)C[C@@H]1NC(=O)NC1=O 1108759995 FLYLSSSBRTYGEE-KWQFWETISA-N 316.321 -0.532 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C[C@@](C)(O)C=C 1109212692 GNMPLQRJELMAEJ-FHIRATQRSA-N 319.405 -0.216 30 20 DBED N#Cc1cncc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)CCn2ccnn2)n1 1109697165 FVNZNEPBTVHCQA-GMXABZIVSA-N 324.348 -0.277 30 20 DBED C#CCNC(=O)CC(=O)NCC1(Nc2cnc(F)cn2)CC1 1110105883 UDQRNXIVCZTKMQ-UHFFFAOYSA-N 305.313 -0.184 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CNC(=O)OC 1110333774 QKBZPCZGXLYLTC-UPJWGTAASA-N 309.366 -0.286 30 20 DBED CNC(=O)CC(=O)N1CC[C@@H]([C@H](C)N=c2cc[nH]c(C#N)n2)C1 1111212482 AHZBFILXLHCSIX-WDEREUQCSA-N 316.365 -0.445 30 20 DBED Cc1cc(C(=O)N(CCO)CCNc2cncc(C#N)n2)n[nH]1 1111439576 WCWWKURCLBFGLA-UHFFFAOYSA-N 315.337 -0.074 30 20 DBED CN1CC[C@@H](C(=O)N(CCO)CCNc2nccnc2C#N)C1 1111475345 JIODGTMAIVWUOB-GFCCVEGCSA-N 318.381 -0.467 30 20 DBED C=CC(C)(C)C(=O)N(CCO)CCNc1nccn2nnnc12 1111537602 DRRPADDSFYXQBF-UHFFFAOYSA-N 319.369 -0.036 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)CCNC(N)=O)C[C@H](C)O2 1111552345 CMPXHKNLXPUVEV-ZDUSSCGKSA-N 322.409 -0.240 30 20 DBED CC(C)[C@@H](O)C(=O)NC[C@@H]1COCCN1c1nccnc1C#N 1111682567 AOKWHPHISPDWFP-DGCLKSJQSA-N 319.365 -0.313 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CCN(c2ccnc(C#N)n2)[C@H](C)C1 1112470636 XXWVVSMCQMWRER-GHMZBOCLSA-N 316.365 -0.042 30 20 DBED CCOCC(=O)NC[C@@H]1CN(c2ccncc2C#N)C[C@@H]1O 1112692711 QZDKHNIEKNKAMA-OCCSQVGLSA-N 304.350 -0.097 30 20 DBED CC(=O)NCC(=O)N1CCC[C@@H]1CN(C)c1cncc(C#N)n1 1112778268 GRRLCVKEQFYBPL-CYBMUJFWSA-N 316.365 -0.088 30 20 DBED C[C@@H]1COCC[C@@H]1C(=O)N1CCN(CC(=O)NCC#N)CC1 1113315941 ZGLHFOUJVNKXBX-OLZOCXBDSA-N 308.382 -0.557 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)Cn2cc(Cl)cn2)CC1 1113387565 GMBXFUREMZVYQP-UHFFFAOYSA-N 324.772 -0.680 30 20 DBED C#CCO[C@H](C)C(=O)NC1[C@@H]2CN(CC(=O)NC(C)(C)C)C[C@@H]12 1114271184 QREHEDFXHDGXFY-JHJVBQTASA-N 321.421 -0.014 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)[C@H](F)C(F)(F)F)[C@@H]2C1 1114309623 ZKPYYCLXIYZBSH-XLDPMVHQSA-N 321.274 -0.317 30 20 DBED C=CCN1C[C@@H]2C(NC(=O)[C@@H](NS(C)(=O)=O)C(C)C)[C@H]2C1 1114943019 QHKABAHWOKICFS-SRVKXCTJSA-N 315.439 -0.207 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)c3cccnn3)[C@H]2C1 1115008239 XKBNBQQCLNQFCX-NMKXLXIOSA-N 315.377 -0.173 30 20 DBED CN(CCOCCNC(=O)c1cnon1)c1nccnc1C#N 1115219579 BROIZEXNPOVTMU-UHFFFAOYSA-N 317.309 -0.386 30 20 DBED N#CCNC(=O)CN1C[C@H]2C(NC(=O)C[C@@H]3CCCOC3)[C@@H]2C1 1115247631 IMASUZPROPHALC-YNEHKIRRSA-N 320.393 -0.511 30 20 DBED C=CCCOCC(=O)NC1[C@@H]2CN([C@@H]3CCN(C)C3=O)C[C@@H]12 1115330785 TULAVAPVJXQBHJ-JHJVBQTASA-N 307.394 -0.144 30 20 DBED C#CCNC(=O)CC(=O)NCC1(NC[C@H](C)O)CCCCC1 1115492445 ZVCQFDCBHXWHRK-ZDUSSCGKSA-N 309.410 -0.085 30 20 DBED C[C@@H](CN(C)C(=O)[C@@H]1COCCO1)N=c1cc[nH]c(C#N)n1 1115654654 HSBKBZMUEKIAIY-QWRGUYRKSA-N 305.338 -0.556 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CCC[C@@H]1c1nncn1C 1117582370 RVNNDYYPPCFQPQ-GHMZBOCLSA-N 307.354 -0.204 30 20 DBED CO[C@@H](C)CC(=O)NC[C@@H](CO)Nc1nc(C)cc(C#N)n1 1121192512 XNVROAVBJQOVFH-JQWIXIFHSA-N 307.354 -0.029 30 20 DBED Cc1cc(=N[C@H](CO)CNC(=O)COC(C)C)c(C#N)c[nH]1 1121279181 OXMZIKQUHNYGLT-ZDUSSCGKSA-N 306.366 -0.002 30 20 DBED COCCC[C@@H](C)C(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1 1121985389 RKFBYALNHOOCOM-VXGBXAGGSA-N 321.381 -0.278 30 20 DBED CN(C)C1(C(=O)NC[C@@H](CO)Nc2ccc(C#N)nn2)CCC1 1122189364 FIYOFZJMRBIYQT-LBPRGKRZSA-N 318.381 -0.278 30 20 DBED Cc1n[nH]cc1C(=O)NC[C@@H](CO)Nc1cncc(C#N)n1 1122293925 RKBGKDIWTOKDCL-JTQLQIEISA-N 301.310 -0.417 30 20 DBED COC[C@H](OC)C(=O)NC[C@H](CO)Nc1ccc(C#N)c(C)n1 1122464793 CDQVNONUQVXGJD-OLZOCXBDSA-N 322.365 -0.188 30 20 DBED Cc1cc(=N[C@@H]2C[C@H](C)N(C(=O)CNC(N)=O)C2)c(C#N)c[nH]1 1123147826 SYRUIMMILPUBIW-CMPLNLGQSA-N 316.365 -0.247 30 20 DBED CN(C[C@@H](O)CN(C)c1cncc(C#N)n1)C(=O)c1ccon1 1124983031 ZWNMNTUTMWFMMT-NSHDSACASA-N 316.321 -0.094 30 20 DBED C#CCNC(=O)CC(=O)NCCN[C@@H](C)C(=O)N[C@@H](C)CC 1125998734 UNHDUFPBWKXRPY-RYUDHWBXSA-N 310.398 -0.865 30 20 DBED CNC(=O)NCC(=O)N(C)C1CC(Nc2ccc(C#N)nn2)C1 1127088415 GINWYDPJMZUMKQ-UHFFFAOYSA-N 317.353 -0.321 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1ccc(OCC)nc1 1128752975 LVLNKEIDJDZJRS-GFCCVEGCSA-N 318.377 -0.062 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1nc2ncc(C)cn2n1 1130074080 NIPISHMQWGTKDV-UHFFFAOYSA-N 317.353 -0.946 30 20 DBED C=C(Br)CNCCNC(=O)c1nnc(O)nc1O 1130862861 IRZAFWJRBLHKDM-UHFFFAOYSA-N 318.131 -0.489 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)C[C@H]2CCCC(=O)N2)C1=O 1131097601 RXILWTIVTGHDCU-CHWSQXEVSA-N 322.409 -0.462 30 20 DBED COCCS(=O)(=O)CC(=O)N[C@H]1CC[C@@H](C)N(CC#N)C1 1132139664 BFEAVQRLHDDXFS-NEPJUHHUSA-N 317.411 -0.460 30 20 DBED C[C@@H]1CC[C@H](NC(=O)C(C)(C)NS(C)(=O)=O)CN1CC#N 1132339873 KTKNSMOAEOTHCM-MNOVXSKESA-N 316.427 -0.193 30 20 DBED C#CCN1C[C@@H](NC(=O)CS(=O)(=O)N(C)C)CC[C@@H]1C 1132452930 GVCAKMKQXOQTSC-RYUDHWBXSA-N 301.412 -0.520 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CC(=O)N(CCC)C1 1134503587 PXTRMYMAZCRHLM-OLZOCXBDSA-N 322.409 -0.911 30 20 DBED COCCn1nc(C(=O)N[C@H](C)C[C@@H](C)NCC#N)ccc1=O 1134914310 SSQXYKIBJWOFDW-VXGBXAGGSA-N 321.381 -0.100 30 20 DBED C#CCN[C@@H](C)C[C@H](C)NC(=O)CN1CCCCS1(=O)=O 1135009139 SPGMRSMOIHVUNO-STQMWFEESA-N 315.439 -0.082 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)c1nc(C)c[nH]1 1135655611 OWPBBJCFWGXXSF-WDEREUQCSA-N 305.382 -0.046 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cccc2nc(C)[nH]c12 1146704778 IROOIVIYQZEMIT-UHFFFAOYSA-N 313.361 -0.060 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC2(CCN([C@@H]3CCNC3=O)C2)C1 1147445779 JBASGXMQXYSYPW-DOMZBBRYSA-N 307.394 -0.264 30 20 DBED COCc1cccc(CC(=O)NCCNCC(=O)NCC#N)c1 1147545794 IDCKGVMHYPXKKD-UHFFFAOYSA-N 318.377 -0.279 30 20 DBED CC(C)NC(=O)CN(C)CC(=O)N1CC2(CCN(CC#N)C2)C1 1147846629 HCMZHZPBJIBIFL-UHFFFAOYSA-N 321.425 -0.499 30 20 DBED N#CCN1CCCO[C@H](CNC(=O)CCn2ccccc2=O)C1 1149816898 IWNDUVFWMKHGEX-CQSZACIVSA-N 318.377 -0.031 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)c1n[nH]c(C)c1O 1152782105 MXFPHLPGKRNIJS-SECBINFHSA-N 322.369 -0.496 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)CCn1ccnn1 1152962071 WMQCRWGLCGYEPW-CYBMUJFWSA-N 320.397 -0.756 30 20 DBED C#CCO[C@H](C)C(=O)NCCCNCc1nnnn1CCC 1157880865 UQCHBNISGUOFMC-GFCCVEGCSA-N 308.386 -0.283 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)C[C@H](C)NC(N)=O 1157960753 ZRRAXVRGYPOTOR-WDEREUQCSA-N 313.402 -0.780 30 20 DBED C#CCN1CC=C(CCNC(=O)CN2C(=O)CCC2=O)CC1 1161839622 XHNLTMCPHWQCSJ-UHFFFAOYSA-N 303.362 -0.093 30 20 DBED C=CCNC(=O)CNCCCNC(=O)c1cc(C(N)=O)ccn1 1177632925 RKPPEQNPJLYAMD-UHFFFAOYSA-N 319.365 -0.808 30 20 DBED C=CCN1CC[C@@H](NCCCCCCNC(=O)CC(N)=O)C1=O 1178084718 JNIUSOHURSTBLL-CYBMUJFWSA-N 324.425 -0.085 30 20 DBED COCC#CCN[C@H]1CCN(C(=O)CCn2cncn2)[C@H]1C 1178120026 ATNAZNMZQUJXRP-KBPBESRZSA-N 305.382 -0.103 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)CNC(=O)CCC)[C@H]1C 1178271819 PBVAEARKVMJUIQ-STQMWFEESA-N 324.425 -0.216 30 20 DBED C=CCNC(=O)CNCCCCCCNC(=O)[C@H]1CCNC1=O 1179230422 MBEBSZSEBNOLBV-CYBMUJFWSA-N 324.425 -0.309 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)[C@@H](CC)NC(C)=O)[C@H]1C 1179573768 NFBFEFRIBFBGPS-YUTCNCBUSA-N 322.409 -0.771 30 20 DBED C[C@H]1[C@@H](NCC#N)CCN1C(=O)CCNC(=O)c1cnccn1 1180163686 LCGCYMGLSPVLPQ-RYUDHWBXSA-N 316.365 -0.301 30 20 DBED C#CCCN[C@@H]1CCN(C(=O)CN2CCCCS2(=O)=O)C1 1184309911 MOVLOEKVYXCJBQ-CYBMUJFWSA-N 313.423 -0.374 30 20 DBED CC#CCN[C@@H]1CCN(C(=O)[C@H]2C[C@H](OC)CN2C(C)=O)C1 1184609233 JBWYHLNZPPHPRY-QLFBSQMISA-N 307.394 -0.164 30 20 DBED C[C@H]1CN(C(=O)COCc2ncnn2C)CC[C@@H]1CNCC#N 1185422340 DCAWDXUIYHRRAP-QWHCGFSZSA-N 320.397 -0.071 30 20 DBED N#CCNC[C@H]1CN(C(=O)CCNC(N)=O)CC12CCOCC2 1186552597 IDSLZSVMEFHUBN-LBPRGKRZSA-N 323.397 -0.587 30 20 DBED N#CCNC[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)CC12CCOCC2 1186561276 VKEMVBHVVJKLIO-OLZOCXBDSA-N 320.393 -0.367 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)Cc2ncc[nH]2)C1 1186602146 VQPKTUYXSHTDAN-VXGBXAGGSA-N 305.382 -0.167 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2cccc(OC)n2)C1 1186738134 FYBVRLMAFYCVKI-GFCCVEGCSA-N 316.361 -0.356 30 20 DBED C#CCCCC(=O)N1CC[C@H]2CN(CC(=O)NC(=O)NC)C[C@H]21 1187737686 YGKMXUGMUDLYTR-QWHCGFSZSA-N 320.393 -0.222 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)N1CC[C@@H](NC[C@@H](C)O)C1 1188150531 ARKBMIBZPDGSPF-VXGBXAGGSA-N 312.414 -0.179 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)CCOC(C)C)C1 1191210720 WQNMOAUFKIREOK-CHWSQXEVSA-N 313.398 -0.735 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)CSCCC)C1 1191362310 ZSCOLZYQLKFESC-VXGBXAGGSA-N 315.439 -0.407 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(Cc2nncs2)C[C@H]1O 1192530241 LXUFWOQMBWIMHA-GIPNMCIBSA-N 312.395 -0.474 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(CC2CCOCC2)C[C@H]1O 1192899668 TXYGPRIYEKGDBQ-BPLDGKMQSA-N 310.394 -0.387 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)Cc2ccc(F)cn2)C1 1194191314 KBKRIWLLKOGKRU-HUUCEWRRSA-N 321.352 -0.426 30 20 DBED CC(C)(C)C#CC(=O)N1CCCN(CC(=O)NC(N)=O)CC1 1195785561 ORPMQNDXLUTWQE-UHFFFAOYSA-N 308.382 -0.235 30 20 DBED C#CCO[C@H](C)C(=O)N1CCCN([C@@H](C)c2nnnn2C)CC1 1195791853 LJIXOOOIVOZJPM-QWHCGFSZSA-N 320.397 -0.156 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)c2ncccc2OC)C1 1198119107 QTEQREASEVODLS-CHWSQXEVSA-N 319.361 -0.485 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@H](C)NC(=O)c2ccco2)C1 1198847891 GJTAPIIUFRRSCB-QJPTWQEYSA-N 305.334 -0.808 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(CC(=O)N(C)CC)C[C@H]1O 1199284569 IGTCJZYVVZBDAC-CHWSQXEVSA-N 313.398 -0.781 30 20 DBED N#CCNC(=O)CNC[C@H]1CN(C(=O)CC2CC2)CCCO1 1199673715 YBBRSGICZXIHBY-ZDUSSCGKSA-N 308.382 -0.367 30 20 DBED N#CCNC[C@H]1CN(C(=O)c2cccn3nnnc23)CCCO1 1200591521 ZOBVELKBTBCGTQ-NSHDSACASA-N 315.337 -0.531 30 20 DBED CN1C(=O)CCC[C@@H]1C(=O)N1CCCO[C@H](CNCC#N)C1 1201965004 DNBYKBWQOYJICM-CHWSQXEVSA-N 308.382 -0.272 30 20 DBED C=CCNC[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)N2)CCCO1 1202078394 FMXUUKZVTWZZLK-VXGBXAGGSA-N 317.411 -0.929 30 20 DBED COCC#CCNC1CCN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)CC1 1202511992 XRRXFFOHRXLZJZ-CABCVRRESA-N 321.421 -0.059 30 20 DBED C=CCNC(=O)CN[C@H]1C[C@@H](NC(=O)c2nc[nH]n2)C12CCC2 1203500099 NEUZKAAEKCZWJT-WDEREUQCSA-N 318.381 -0.263 30 20 DBED C=CCCNCC1CCN(C(=O)CNC(=O)CNC(C)=O)CC1 1205543656 ZZKCBNZAQOHUTA-UHFFFAOYSA-N 324.425 -0.357 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCCN(C(=O)Cc2ccon2)C1 1207725224 KUUKTDIJHNMIQG-OCCSQVGLSA-N 318.377 -0.064 30 20 DBED C=CCNC(=O)[C@H](C)N[C@H]1CCCN(C(=O)c2cnnn2C)C1 1207958101 LVBZKKUBLRXCAU-RYUDHWBXSA-N 320.397 -0.300 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC[C@H](NCC(=O)NCC=C)C1 1208014657 SAQGURBYMZBXPV-KBPBESRZSA-N 307.394 -0.093 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC[C@@H](NCc2cnn(C)n2)C1 1208017846 GJHUVCRJRBVYOH-QWHCGFSZSA-N 305.382 -0.066 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCC[C@H](NCCOCCO)C1 1208352467 GDUNINGBLKTJTC-HOTGVXAUSA-N 323.437 -0.327 30 20 DBED C=CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1C 1214338785 ZUPYQJZWSPOHNY-QJPTWQEYSA-N 321.381 -0.406 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)COC[C@@H]1CCCO1 1219073764 UWIUYGZQZSIICC-SOUVJXGZSA-N 308.378 -0.273 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)CO[C@@H](C)CC)C1 1219476010 LVJOFTIZHDFWTF-XQQFMLRXSA-N 313.398 -0.735 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(Cc2nncs2)C[C@@H]1O 1219536153 LXUFWOQMBWIMHA-GBIKHYSHSA-N 312.395 -0.474 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2nonc2C)C[C@@H]1O 1219605117 JNLFLWBKFCGHLU-UHTWSYAYSA-N 308.338 -0.922 30 20 DBED C=CC(C)(C)CC(=O)N[C@@H]1CN(Cc2nnn(C)n2)C[C@@H]1O 1219706641 IRWKKNFCBBBREA-MNOVXSKESA-N 308.386 -0.526 30 20 DBED C#CCCCCCC(=O)N[C@@H]1CN(CC(=O)NCC)C[C@@H]1O 1220147051 YYYIRHACBGAZKD-KGLIPLIRSA-N 309.410 -0.133 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C2(CC=C)CCC2)C1 1220293427 HIRNSPYWAVNNMO-KGLIPLIRSA-N 319.405 -0.357 30 20 DBED N#CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3cncs3)[C@@H]2C1 1221334089 CCMCVTBDWRFJGT-GHMZBOCLSA-N 319.390 -0.071 30 20 DBED COCC#CCN1CC[C@@H]2CCN(C(=O)Cn3nccn3)C[C@@H]21 1222762876 IRUDARDBFKTUAT-CABCVRRESA-N 317.393 -0.149 30 20 DBED COCC#CCN1CC[C@H]1CN(C)C(=O)[C@@H]1CCNC(=O)C1 1233610038 DHNVQSGBUYDNAH-KGLIPLIRSA-N 307.394 -0.305 30 20 DBED C=CCNC(=O)NC(=O)CN(C)CCCNC(=O)CSC 1233630997 YSCNWJJOZMDBTN-UHFFFAOYSA-N 316.427 -0.201 30 20 DBED C[C@@H]1O[C@H](C)C[C@@H]1CNC(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1261473612 MGVPPUPVLWOTHY-ZAZJYDDPSA-N 309.366 -0.207 30 20 DBED C=C[C@@H](COC)NC(=O)CNS(=O)(=O)c1cnn(C)c1 1321270001 ARUFEQZQDZJZOU-VIFPVBQESA-N 302.356 -0.984 30 20 DBED CN1C[C@@H](NC(=O)C(=O)NCc2cccc(C#N)c2)CC1=O 1321550802 GVUMMJLYOBZISJ-LBPRGKRZSA-N 300.318 -0.479 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)NCc1ccon1 1323497112 IBWZPIVGMDBDLJ-UHFFFAOYSA-N 301.324 -0.992 30 20 DBED C[C@H](OC(=O)c1ccc(=O)n(C)n1)C(=O)NC1(C#N)CCC1 1324422205 SMHGKSTYKCLAKX-VIFPVBQESA-N 304.306 -0.112 30 20 DBED C=CCN1C(=O)C(=O)N(Cc2nc(C[C@H](C)NC)no2)C1=O 1326487686 WSOXMRCTADJQPJ-QMMMGPOBSA-N 307.310 -0.303 30 20 DBED N#CC[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)C1 1329030576 AKLOHIFAQPJUHD-SDDRHHMPSA-N 322.365 -0.712 30 20 DBED CCOC(=O)C1CCN(C(=O)CN(C)C(=O)C#CCOC)CC1 1330251152 FRQYPVXYGCRYIP-UHFFFAOYSA-N 324.377 -0.104 30 20 DBED C#CCOCCn1nnnc1N1CCO[C@H](c2ccnn2C)C1 1336018587 OWNFCPSWOOGZBU-ZDUSSCGKSA-N 317.353 -0.366 30 20 DBED C=CC[C@H]1NC(=O)N(C[C@@H]2CCN(S(C)(=O)=O)C2)C1=O 1339079932 SAHVNOZAYOXQNH-NXEZZACHSA-N 301.368 -0.236 30 20 DBED C=CCn1c(C[C@@H](C)O)nnc1N1CCN(C(=O)NC)CC1 1339595640 YPEUGYTUCVVNQW-LLVKDONJSA-N 308.386 -0.151 30 20 DBED CCCNC(=O)[C@@H](C)NC(=O)C(=O)Nc1cnn(CC#N)c1 1340052002 IWETXYWPXYPYDD-SECBINFHSA-N 306.326 -0.624 30 20 DBED C=CCn1c(N2CCN(CCOC)C(=O)C2)nnc1C1(O)CC1 1340458554 CWRJSZVKNAAIGM-UHFFFAOYSA-N 321.381 -0.260 30 20 DBED C=C(C)Cn1c(C(N)=O)nnc1N1CCN(CCOC)CC1 1342218620 NTSCYOGKGMINSE-UHFFFAOYSA-N 308.386 -0.279 30 20 DBED C=C(C)Cn1c(CO)nnc1N1CCO[C@@H](CNC(C)=O)C1 1343603849 USWKTMOZFMFJBP-LBPRGKRZSA-N 309.370 -0.312 30 20 DBED Cc1nn(C)cc1[C@@H](C)NC(=O)C(=O)N1CCO[C@H](C#N)C1 1345289283 HMJSFVODOBUFDG-MWLCHTKSSA-N 305.338 -0.343 30 20 DBED CN1CCC[C@@H](CCNC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)C1 1345894442 UXAXAGLBZMIFFZ-BBRMVZONSA-N 322.409 -0.288 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)C(=O)N2CCOC[C@@H]2C2CC2)C1 1345974191 WPFCXWXWOHYUAH-IUODEOHRSA-N 307.350 -0.499 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2C[C@@H](C)[C@](C)(CO)C2)nn1 1347645048 SFEHBLVFGKORIW-ABAIWWIYSA-N 321.381 -0.443 30 20 DBED Cn1cc([C@H](O)C(=O)N(CCC#N)CCN2CCOCC2)cn1 1361977871 KUTSMMNRGQFFSZ-AWEZNQCLSA-N 321.381 -0.472 30 20 DBED N#Cc1ccc(C(=O)NC[C@@]2(O)CCS(=O)(=O)C2)cc1O 1362959455 QUURPEAVKIMOJH-ZDUSSCGKSA-N 310.331 -0.457 30 20 DBED CCCNC(=O)NC(=O)CN1CC(CNC(=O)[C@H](C)C#N)C1 1366960165 DVZIJUIICCUTNM-SNVBAGLBSA-N 309.370 -0.570 30 20 DBED C[C@@H](C#N)C(=O)NCCN1CCN(C(=O)[C@@H]2CCCCO2)CC1 1372215703 BVWOUONWEXMREW-KBPBESRZSA-N 322.409 -0.024 30 20 DBED C[C@@H](C#N)C(=O)NCCC1CCN([C@@H](C)C(=O)NC(N)=O)CC1 1373936734 XXQROQSUYPWDLL-QWRGUYRKSA-N 323.397 -0.052 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](C)NC(=O)c1cnc(N(C)C)cn1 1386458168 RJZWUPRXVCCKNT-VHSXEESVSA-N 304.354 -0.063 30 20 DBED CC[C@@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)[C@H]1CCC(=O)N1 1388040356 LWMJICRUVSIKJR-WDEREUQCSA-N 317.349 -0.210 30 20 DBED C[C@H](C#N)C(=O)NC1CN([C@H](C)C(=O)Nc2ncccn2)C1 1391414356 CXGHAMNAFYZGMN-NXEZZACHSA-N 302.338 -0.236 30 20 DBED C=C(Br)CN(C)CCN(C)C(=O)Cn1ncnn1 1392278201 RZJZVRYFQFDHFZ-UHFFFAOYSA-N 317.191 -0.028 30 20 DBED C[C@@H](CNC(=O)C1(S(C)(=O)=O)CCC1)NC(=O)[C@H](C)C#N 1393043924 AZKMVOFNCXXOSJ-ZJUUUORDSA-N 315.395 -0.266 30 20 DBED CCCS(=O)(=O)CC(=O)N(CC)CCNC(=O)[C@H](C)C#N 1398136622 NVHSTVYCDKAJOL-LLVKDONJSA-N 317.411 -0.064 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1ncc2n1CCCC2 1399822335 GJKBCXPLDMETHI-CMPLNLGQSA-N 319.365 -0.414 30 20 DBED C=C(Br)CNC[C@H](O)CNC(=O)CNC(=O)OC 1406202466 FAHHIBNDMBRWDH-QMMMGPOBSA-N 324.175 -0.682 30 20 DBED C=C(Cl)CNC[C@@H]1CN(C(=O)CS(C)(=O)=O)CCO1 1407840633 UWMXDYWNOINWEO-SNVBAGLBSA-N 310.803 -0.400 30 20 DBED CC(=O)N1CC(C(=O)N[C@@H](C)CNC(=O)c2cc(C#N)c[nH]2)C1 1408101448 AADNBCXQMZVGOU-VIFPVBQESA-N 317.349 -0.401 30 20 DBED CNC(=O)NCC(=O)N[C@H]1CC[C@H](NC(=O)[C@@H](C)C#N)CC1 1409580606 LFJTYWLTZCJNNT-DCAQKATOSA-N 309.370 -0.381 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@@H](O)CNC(=O)[C@H]2CC23CC3)c1 1410101535 VSPWVXAUIBIQKD-WDEREUQCSA-N 302.334 -0.107 30 20 DBED COc1cccnc1C(=O)NC[C@@H](O)CNC(=O)[C@H](C)C#N 1410155228 WPXNRIQBFDJZLA-ZJUUUORDSA-N 306.322 -0.543 30 20 DBED N#Cc1cn(CC(=O)N[C@H]2CCN3CCC[C@H]3C2)c(=O)nc1O 1411640860 FEMZDXBSQYRWAC-RYUDHWBXSA-N 317.349 -0.436 30 20 DBED C[C@@H](CNC(=O)c1ccc2nnnn2c1)CNC(=O)[C@H](C)C#N 1416481291 YPRKIRMRXFBLLT-NXEZZACHSA-N 315.337 -0.234 30 20 DBED CN(CCNC(=O)CO[C@H]1CCOC1)c1ccc(C#N)nn1 1418032757 WZUWGKLQPYAPDC-LBPRGKRZSA-N 305.338 -0.294 30 20 DBED CCN(CCNC(=O)c1cc(C#N)c[nH]1)Cc1nnnn1C 1418542591 RPXGUSPVACZOKS-UHFFFAOYSA-N 302.342 -0.338 30 20 DBED C[C@@H](C#N)C(=O)N1CC([C@H](C)NC(=O)CN2CCOCC2)C1 1424509387 OOWGYAJTOCDRRV-RYUDHWBXSA-N 308.382 -0.559 30 20 DBED CCOCC1(C(=O)N(C)C[C@H](O)CNC(=O)[C@@H](C)C#N)CC1 1428227283 REQHXNRKXAQHIR-NWDGAFQWSA-N 311.382 -0.102 30 20 DBED CCN1CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)CC1 1440736908 HGVODVCGOSGMPP-UHFFFAOYSA-N 305.338 -0.625 30 20 DBED CC(=O)N1CCC[C@@H](C(=O)N(C)CCNC(=O)[C@@H](C)C#N)C1 1455434509 OEAMUDIVFPIRNX-WCQYABFASA-N 308.382 -0.021 30 20 DBED CC[C@H]1C(=O)N(CC)CCN1c1[nH]c(=O)n(C)c(=O)c1C#N 1458332496 TXOVRSCAVCPARE-JTQLQIEISA-N 305.338 -0.608 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)CCCn2cncn2)CC1 1459101398 ZRKAJHCBWNKOLI-NSHDSACASA-N 304.354 -0.017 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@@H](C)CNC(=O)COCc1nncn1C 1509062652 GVTWQHDTTHASRW-QWRGUYRKSA-N 322.369 -0.546 30 20 DBED CC(C)S(=O)(=O)CC(=O)N[C@H]1C[C@H](NC(=O)[C@@H](C)C#N)C1 1525045787 VLMVEQXJVMWZGP-DCAQKATOSA-N 315.395 -0.267 30 20 DBED N#Cc1cn(CCNC(=O)c2cccc3nccn23)c(=O)nc1O 1557601894 ZDTVMIUXHKOGMS-UHFFFAOYSA-N 324.300 -0.102 30 20 DBED C#CCN(C(=O)C(=O)N1CCO[C@@H](C(=O)O)C1)C1CCCC1 1588394924 AAGHXZSWEODBCX-GFCCVEGCSA-N 308.334 -0.297 30 20 DBED C=C(C)C[C@@H](NC(=O)C[C@]1(C)CCS(=O)(=O)N1)C(=O)O 1588541347 WSRMFGPHERSKMI-SKDRFNHKSA-N 304.368 -0.006 30 20 DBED C=CCOCC(=O)NCCNc1ccc(-c2nn[nH]n2)nc1 1588675541 JBBNJXDNDZALMF-UHFFFAOYSA-N 303.326 -0.008 30 20 DBED Cc1nc(CS(=O)(=O)N2CCC(C#N)(C(=O)O)CC2)no1 1600704480 QAFFWZZQGWJIQP-UHFFFAOYSA-N 314.323 -0.102 30 20 DBED N#Cc1ccc(NCC(=O)n2ncc(-c3nn[nH]n3)c2N)nc1 1606377525 JNKJJIMIXPDYHJ-UHFFFAOYSA-N 310.281 -0.336 30 20 DBED O=C(O)Cn1cccc1C=NN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C=C[C@H]2O1 1608799618 YFWMXNPBOFQPSJ-FPQZTECRSA-N 315.285 -0.155 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCO[C@@H](CC(=O)O)C1 1609994045 TUXXQLFOXMAUEQ-MNOVXSKESA-N 319.383 -0.112 30 20 DBED Cc1cn(C)nc1C(=O)N1CCC[C@@H]1CNCC(=O)NCC#N 1699750657 MZELUSIMYSSFTM-GFCCVEGCSA-N 318.381 -0.438 30 20 DBED C[C@H](C#N)C(=O)NCCCN(C)CC(=O)NC[C@@H]1CCCO1 1751952781 MUPHZSMJMXNRGB-OLZOCXBDSA-N 310.398 -0.121 30 20 DBED C=CCNC(=O)CN1CCCC[C@@H]1CNC(=O)c1cn(C)nn1 1752818460 CKUXWTBQBIDUQC-GFCCVEGCSA-N 320.397 -0.298 30 20 DBED N#CCNCCNC(=O)[C@H]1CCCN(C(=O)CN2CCCC2)C1 1752927250 RQAAZEZILYEUOF-AWEZNQCLSA-N 321.425 -0.450 30 20 DBED CCN(C(=O)CCCn1c(O)nnc1O)[C@@H]1CCN(CC#N)C1 1753462598 WKFRLOZXEQSIJH-LLVKDONJSA-N 322.369 -0.084 30 20 DBED C#CCNC(=O)CN[C@H]1CC[C@H](NC(=O)Cn2cccn2)CC1 1753579532 MDYPWEUSPJTKDS-HDJSIYSDSA-N 317.393 -0.351 30 20 DBED C#CCN[C@@H](CNC(=O)C[C@@]1(C)CCS(=O)(=O)N1)C(C)C 1753843370 IABCPRIWNFLNBU-GXTWGEPZSA-N 315.439 -0.178 30 20 DBED C#CCCNC[C@@H](O)CNC(=O)Cc1nc(C2CC2)nn1C 1753937295 MSZYYERAYVCPGV-GFCCVEGCSA-N 305.382 -0.675 30 20 DBED C=C(Cl)CNC/C=C/CNC(=O)[C@H]1CCS(=O)(=O)N1 1754206326 HUIGGPBLZZBZHP-VMZHVLLKSA-N 307.803 -0.307 30 20 DBED COCC#CCNC[C@@H](NC(=O)c1cnn(C)c1N)C1CC1 1754439042 AWENRTCTIWDOIF-CYBMUJFWSA-N 305.382 -0.250 30 20 DBED C#CCN(C(=O)[C@@H]1CCC(=O)N1)C1CCN(C[C@@H](C)O)CC1 1754642785 YXKVYIXYWUHFGQ-OCCSQVGLSA-N 307.394 -0.428 30 20 DBED N#CCN1CC[C@](O)(CNC(=O)c2cnn3c2OCCC3)C1 1754752449 JGKWTSGVDIBQDS-AWEZNQCLSA-N 305.338 -0.644 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(Cc2cccnc2)C1 1754766815 FYTRLNYXSZLDMO-CYBMUJFWSA-N 303.362 -0.217 30 20 DBED CC#CCN[C@@]1(CO)CCCN(C(=O)C[C@H](C)NC(N)=O)C1 1755083494 SBHRQHOUFGMYHN-WFASDCNBSA-N 310.398 -0.600 30 20 DBED CCCN1C[C@H](C(=O)N2CCC[C@](CO)(NCC#N)C2)CC1=O 1755089296 MCWXSZOYMUYOJR-CJNGLKHVSA-N 322.409 -0.288 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H](CO)CNC(=O)C1CCCCC1 1755621304 LHJQKRPETNHDLU-JSGCOSHPSA-N 309.410 -0.229 30 20 DBED C[C@@H]1[C@H](NCC(=O)NCC#N)CCN1C(=O)CCc1cn[nH]c1 1755660991 GUABKJJVWYKSKA-DGCLKSJQSA-N 318.381 -0.439 30 20 DBED C=CCNC(=O)CN1CCC([C@H](C)NC(=O)CC(N)=O)CC1 1755846983 ULIKLNKMXGFKHD-NSHDSACASA-N 310.398 -0.619 30 20 DBED C[C@H](CN(C)C(=O)CSCC#N)NC(=O)Cn1cncn1 1756430823 BBYMGRVLLRYBRI-SNVBAGLBSA-N 310.383 -0.502 30 20 DBED C=CCOCC(=O)N(C)C[C@H](C)NC(=O)[C@H]1CN(C)CCO1 1756439472 ZVWVBNNLQUGUHS-QWHCGFSZSA-N 313.398 -0.517 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H](CO)CNC(=O)c1oc(C)nc1C 1756511094 UVWBCNYWZKXVGC-PWSUYJOCSA-N 323.349 -0.463 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)[C@H](F)C(C)C)C[C@H]1O 1756986398 FOSSEQNGTURUEP-NQBHXWOUSA-N 302.346 -0.129 30 20 DBED C=C(C)C[C@@H](C)C(=O)N1C[C@H](O)[C@H](NC(=O)c2cnnn2C)C1 1757169601 HBJFFTFBFBNUKW-WZRBSPASSA-N 321.381 -0.281 30 20 DBED C=CCCCC(=O)N1C[C@H](O)[C@H](NC(=O)[C@H]2CCNC2=O)C1 1757197731 QIYZLVROIBAHRL-TUAOUCFPSA-N 309.366 -0.833 30 20 DBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCc1nc[nH]n1 1771594298 VQOXGRPKTVHOJU-UHFFFAOYSA-N 320.334 -0.840 30 20 DBED C=C1C[C@@H](C(=O)O)N(CCNS(=O)(=O)CCCOC)C1 1776146282 INUZXIBCUALSMX-NSHDSACASA-N 306.384 -0.343 30 20 DBED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(C)=O)CCO2)C1 1835195910 HYTOKGPPTDUHFF-CZUORRHYSA-N 324.377 -0.499 30 20 DBED CC(C)(C)NCC(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846195208 PIQCMSUYWMUUPM-UHFFFAOYSA-N 321.377 -0.334 30 20 DBED C=C[C@@H](C)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 144634810 PQSZGCTXJNFTAX-BAYCTPFLSA-N 321.337 -0.576 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@H](CN)C[C@H]2C)C1=O 261688920 IJLQATUOXZIDQC-ZJUUUORDSA-N 308.338 -0.841 30 20 DBED N#C[C@H]1CN(C[C@@H](O)CN2C(=O)c3ccccc3C2=O)CCO1 264402057 PFMHUXHNSZJJIY-NEPJUHHUSA-N 315.329 -0.132 30 20 DBED CNC(=O)NC(=O)CN1CCN(c2nccnc2C#N)C[C@H]1C 268371961 WGNLLUMJFQMAFP-SNVBAGLBSA-N 317.353 -0.686 30 20 DBED CNC(=O)CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 268728630 NKFUSOZOPAZLLC-VIFPVBQESA-N 324.362 -0.913 30 20 DBED C#CCOc1cccc(NC(=O)C(=O)N(CCO)CCO)c1 275227933 KYTNGFPYMRXATD-UHFFFAOYSA-N 306.318 -0.550 30 20 DBED N#Cc1ncccc1S(=O)(=O)NCCC(=O)N1CCOCC1 276942434 AWPKEZZOJJPULF-UHFFFAOYSA-N 324.362 -0.520 30 20 DBED O=C(CNS(=O)(=O)c1ccc(Cl)cc1)NCC#CCO 299148636 YLPCQIMKNOVITA-UHFFFAOYSA-N 316.766 -0.270 30 20 DBED CO[C@H]1CCN(/C(O)=N/C[C@@H]2CCN(S(C)(=O)=O)C2)C1 328730092 HUALIVIHOLPFRO-QWRGUYRKSA-N 305.400 -0.097 30 20 DBED CN1C(=O)C[C@H](/C(O)=N/CCn2ncnn2)[C@H]1c1ccnn1C 328907206 BYJPDIIOFJHMPK-CABZTGNLSA-N 318.341 -0.417 30 20 DBED C[C@H]1CN(/C(O)=N/C[C@H]2CCCN2C)CCN1S(C)(=O)=O 329225214 GAJBNRYTXSDSDW-NWDGAFQWSA-N 318.443 -0.040 30 20 DBED C[C@H](C/N=C(/O)N1C[C@@H]2OCCN(C)[C@H]2C1)N1CCOCC1 329923654 HCCTWEPWPAEHEF-RDBSUJKOSA-N 312.414 -0.364 30 20 DBED CN1CCO[C@H](C/N=C(/O)N2CC[C@H](N3CCCC3=O)C2)C1 330115400 UDGXGRSWHRQTAX-QWHCGFSZSA-N 310.398 -0.072 30 20 DBED Cc1oc(S(N)(=O)=O)cc1/C(O)=N/C[C@H]1CN(C)CCO1 330669020 KHPVHXXCFOAIJE-VIFPVBQESA-N 317.367 -0.129 30 20 DBED CC(C)[C@](C)(C#N)NC(=O)CN1CCC[C@]2(C1)NC(=O)NC2=O 331541628 FCCSRRGRWQALPJ-LSDHHAIUSA-N 321.381 -0.285 30 20 DBED N#Cc1cccnc1N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 336858850 CBBJTEXBOMZMQF-OLZOCXBDSA-N 322.390 -0.767 30 20 DBED CCN(CCC#N)S(=O)(=O)NCC1(N2CCOCC2)CC1 337172236 GKGVWWUMZHSHDI-UHFFFAOYSA-N 316.427 -0.079 30 20 DBED CC(C)n1cc(C#N)c(NC(=O)C(=O)N[C@H]2CCO[C@@H]2C)n1 341546278 HELWHURAXIQWDM-KOLCDFICSA-N 305.338 0.568 30 20 DBED CC[C@H](NC(=O)C(=O)NCCCCC#N)C(=O)N1CCOCC1 343301424 IOGAOXALYVTICD-LBPRGKRZSA-N 324.381 -0.450 30 20 DBED COC(=O)[C@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(C#N)o1 344515143 MWABEAPYJWYZEP-VXNVDRBHSA-N 300.292 -0.552 30 20 DBED C[C@@H]1[C@@H](C)[S@@](=O)CCN1C(=O)NCCn1cnc(C#N)n1 347611733 KZBDKAQRXCRCJG-QDXVKYEASA-N 310.383 -0.299 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CC[C@@H]2C(=O)OC)CC1 349445718 BOYVGXDCOGFGRV-OLZOCXBDSA-N 323.393 -0.368 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCCC(=O)OCC)C1=O 354825522 CTDZLGKDMBKJFB-UHFFFAOYSA-N 311.294 -0.967 30 20 DBED C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@@H](S(N)(=O)=O)C1 357387224 FPBIZFBCCXKJJQ-NWDGAFQWSA-N 301.412 -0.062 30 20 DBED CN1CC[C@](O)(CNC(=O)C(=O)Nc2ccc(F)cc2C#N)C1 358388035 GZPBNPNKQXQWMG-HNNXBMFYSA-N 320.324 -0.181 30 20 DBED C=C[C@H](CO)NC(=O)N[C@@H]1CCC(=O)N(C)[C@@H]1c1ccnn1C 359464952 FJYJOOIZRDMIEP-GYSYKLTISA-N 321.381 -0.072 30 20 DBED O=C1CCC(=O)N1CC/N=C1/NS(=O)(=O)c2ccccc21 405357646 LHXROLVLQQPSFT-UHFFFAOYSA-N 307.331 -0.126 30 20 DBED CS(=O)(=O)N1CCCN(S(=O)(=O)CCCCC#N)CC1 408114060 BSPACQMBCIURPV-UHFFFAOYSA-N 323.440 -0.023 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 491219983 IXPABDCLJNTBPK-OAHLLOKOSA-N 308.426 -0.534 30 20 DBED C#CCNC(=O)CN1CCN(CCOC[C@H]2CCCO2)CC1 491229935 JYBWWRWAGKCOGF-OAHLLOKOSA-N 309.410 -0.451 30 20 DBED C=CCOC[C@@H](NS(=O)(=O)c1ccn(C)n1)C(=O)OC 564907925 OWAOMMUGRNFPTA-SECBINFHSA-N 303.340 -0.557 30 20 DBED N#Cc1cccc(NC(=O)C(=O)N2CCN3CCOC[C@@H]3C2)n1 579950088 SEVCEFKWQCXVDE-LBPRGKRZSA-N 315.333 -0.565 30 20 DBED COC(=O)C[C@@H](NS(=O)(=O)CC1(CC#N)CC1)C(=O)O 581254883 SSMCCSBIUBJQNF-MRVPVSSYSA-N 304.324 -0.384 30 20 DBED CCN(CC)C[C@H](C)NC(=O)C(=O)NC1CCN(CC#N)CC1 585774423 RCDDRGJGMZTDBK-ZDUSSCGKSA-N 323.441 -0.063 30 20 DBED C[C@H](CNC(=O)C(=O)NC1CCN(CC#N)CC1)N(C)C1CC1 587872857 JBUCMJSOPSIKBI-GFCCVEGCSA-N 321.425 -0.311 30 20 DBED CN(C)S(=O)(=O)N1CCN(C(=O)c2cnccc2C#N)CC1 588751071 UURREPUPBKFZLM-UHFFFAOYSA-N 323.378 -0.483 30 20 DBED CCCCS(=O)(=O)NCC(=O)N1CC[C@](O)(CC#N)C1 592847216 JWYUMYPYFUQAJP-GFCCVEGCSA-N 303.384 -0.417 30 20 DBED CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)N[C@@H]1CC[C@H](C#N)C1 595642573 GUYFINYLWWNHNR-ZDCRXTMVSA-N 301.368 -0.210 30 20 DBED CN(C)S(=O)(=O)NCC(=O)NCCc1ccc(C#N)cc1 597889997 MEEQFQQPMAZFJL-UHFFFAOYSA-N 310.379 -0.387 30 20 DBED C[C@@H]1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)C[C@@H]1CO 598624126 DYBDESIZFHFENH-UTUOFQBUSA-N 303.384 -0.594 30 20 DBED Cn1cc(N2C[C@H](C(=O)N3CCOC[C@H]3C#N)CC2=O)cn1 599594185 LNNFZIVRJDVNOH-GHMZBOCLSA-N 303.322 -0.476 30 20 DBED C=C[C@@H](O)C(=O)NCCNS(=O)(=O)c1ccc(C)s1 612708166 GMIXFWMSHFAORA-SECBINFHSA-N 304.393 -0.002 30 20 DBED CCN(CC(=O)c1c(O)nc(=O)n(CCOC)c1N)[C@H](C)C#N 661983711 LBZOMPSNLWEIOP-SECBINFHSA-N 323.353 -0.406 30 20 DBED C=C[C@H](CO)NCC(=O)N(CCCC)[C@H]1CCS(=O)(=O)C1 662167345 AVDRJMUIPOSLOF-OLZOCXBDSA-N 318.439 -0.061 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)CCC(=O)NCC)CC1 733148712 IWWULXUBWHHUBT-UHFFFAOYSA-N 322.409 -0.814 30 20 DBED CN(C)S(=O)(=O)c1c[nH]c(C(=O)n2ncc(C#N)c2N)c1 746889791 SOWLBUHIAUPFDW-UHFFFAOYSA-N 308.323 -0.396 30 20 DBED N#Cc1ccc(NCCNC(=O)NC[C@@]2(O)CCOC2)nc1 755057538 PCBXMYPMPMHTGT-AWEZNQCLSA-N 305.338 -0.184 30 20 DBED C[C@@H](NS(C)(=O)=O)C(=O)OCC(=O)N[C@](C)(C#N)C1CC1 758475886 DXKNDFKKFINWCU-PRHODGIISA-N 317.367 -0.724 30 20 DBED N#Cc1cccnc1NCCNC(=O)[C@H]1CN2CCCN1CC2 763999207 DKUPACQOASFEER-CQSZACIVSA-N 314.393 -0.129 30 20 DBED CNS(=O)(=O)CCC(=O)O[C@@H](C)C(=O)N(C)CCC#N 767104491 LWXXRMVOYAZHHV-VIFPVBQESA-N 305.356 -0.771 30 20 DBED C#CCNC(=O)CN1CCN(S(=O)(=O)CCC2CC2)CC1 770679050 UPSZTEJZMFQWDI-UHFFFAOYSA-N 313.423 -0.517 30 20 DBED COC(=O)[C@H]1CCN(CC(=O)NCCC#N)[C@H](C(=O)OC)C1 780351300 PXCYJBDISGGQRU-QWRGUYRKSA-N 311.338 -0.557 30 20 DBED COC(=O)COc1ccc(C=NNC(=S)NCC(N)=O)cc1 782225945 KKSGHMTYUXXYEL-UHFFFAOYSA-N 324.362 -0.478 30 20 DBED N#Cc1ncn(CCNS(=O)(=O)c2c[nH]c(C(=O)O)c2)n1 794841243 POCQGIWXJNIGKZ-UHFFFAOYSA-N 310.295 -0.845 30 20 DBED C#CCC[C@H](O)CNC(=O)Nc1cc(C)n(CC(=O)NC)n1 799223972 NMMNXXZQPSYHMD-NSHDSACASA-N 307.354 -0.167 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@H](CCO)C1CC1 800060486 SFQQSANIQWCSCD-GFCCVEGCSA-N 305.400 -0.156 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(C)cn2)CC1 831564581 BKQSSTVUCBGEJG-UHFFFAOYSA-N 322.390 -0.385 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)/C=C/OCC)CC1 831575134 YKAAAEHWLVENOE-VZUCSPMQSA-N 301.368 -0.852 30 20 DBED N#C[C@H]1CNC[C@H]1NC(=O)CSCC(=O)N1CCCCC1 834517478 VYMRWOVDFJQRGC-NWDGAFQWSA-N 310.423 -0.040 30 20 DBED C=CCOC[C@@H]1NC(=O)N(CCc2nnc(S)n2C)C1=O 925302214 ZLXKKLLJGQQAMT-QMMMGPOBSA-N 311.367 -0.231 30 20 DBED C#CCN1CCC(NC(=O)Cn2nc3ccccn3c2=O)CC1 928654805 FBDQIMAIJGDRFQ-UHFFFAOYSA-N 313.361 -0.290 30 20 DBED C#C[C@H](NC(=O)C(=O)NCCO[C@H]1CCOC1)[C@H]1CCCO1 930467356 QOWUECDKDPSFOD-RWMBFGLXSA-N 310.350 -0.795 30 20 DBED O=C(N[C@H]1CCN(C(=O)C#CC2CC2)C1)[C@H]1CCCS1(=O)=O 938047919 MHNAELNHIIANCT-QWHCGFSZSA-N 324.402 -0.306 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](N(C)C(=O)CN2C(=O)CCC2=O)C1 939406630 RWGMXPBIXGDSFR-MNOVXSKESA-N 320.349 -0.646 30 20 DBED Cn1cc(C(=O)N[C@H]2[C@H]3C[C@H]2N(C(=O)C#CC2CC2)C3)nc1O 947966054 RPYUNSWTZWXUMZ-SUHUHFCYSA-N 314.345 -0.132 30 20 DBED Cc1ncnc(O)c1C(=O)NC[C@H]1CCN1C(=O)[C@@H](C)C#N 951680917 WSGHEIWPQYBLTA-WCBMZHEXSA-N 303.322 -0.019 30 20 DBED N#Cc1cc(C(=O)N2CC[C@H]3CCN(C(=O)C(N)=O)C[C@H]32)c[nH]1 953450513 UBTNKNIDKQCDIX-BXKDBHETSA-N 315.333 -0.565 30 20 DBED CC#CCN1CCN(C(=O)CN2C(=O)NC(C)(C)C2=O)CC1 957543600 LSMQZAPHVANIPV-UHFFFAOYSA-N 306.366 -0.516 30 20 DBED N#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cn(CC3CC3)nn2)C1 958524776 BWWXAUDLNRCTTM-WCQYABFASA-N 304.354 -0.766 30 20 DBED C#CCCN1C[C@H]2[C@H](NC(=O)[C@H](C)N3C(=O)CCC3=O)[C@H]2C1 960169271 VBMDJJKPAPEXDK-UUIJZJDISA-N 303.362 -0.406 30 20 DBED C=C(C)CN1C[C@@H]2C(NC(=O)CN3CCN(C)C(=O)C3)[C@H]2C1 960633254 YDHJVXGAUFJDKT-STQMWFEESA-N 306.410 -0.617 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(C[C@H](NC(=O)c3cc[nH]n3)CO2)C1 965633711 AMFFPBGAZKKSNV-UWVGGRQHSA-N 303.322 -0.331 30 20 DBED CC(=O)N1CC(C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2C)C1 966394765 CFDFOSLKNQLSLB-XHDPSFHLSA-N 317.389 -0.159 30 20 DBED C[C@@H](N[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1)c1nnnn1C 968441520 APQHIMZZZATCEA-MWLCHTKSSA-N 314.353 -0.025 30 20 DBED C#CCCN1CC[C@H](C)[C@H](NC(=O)Cn2nc(C)n(C)c2=O)C1 968603010 UVAFVLIFGDWSRB-GXTWGEPZSA-N 319.409 -0.260 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1C[C@H]1C(N)=O 970019019 TXZGXEJCHYIIGC-ZIQFBCGOSA-N 304.350 -0.531 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)Cn3cncn3)C2)[nH]1 973180428 CAIANYNHRDUXQV-XYPYZODXSA-N 313.321 -0.445 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@@H]3CN(C(=O)C(N)=O)[C@@H]3C2)nc1 974957210 RRWOEUZLBKLUQO-DGCLKSJQSA-N 312.329 -0.779 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1[C@@H]2CN(C(=O)[C@@H](C)OC)C[C@@H]21 976739068 HPYQLTGRHRHSTE-MRLBHPIUSA-N 319.405 -0.308 30 20 DBED CN(C[C@@H]1CCN1C(=O)C#CC1CC1)C(=O)[C@@H]1CNC(=O)N1 978308256 SUZLAJJFQVOFET-RYUDHWBXSA-N 304.350 -0.860 30 20 DBED C#CCN1C[C@H]2C(CNC(=O)c3ccoc3CC(N)=O)[C@@H]2C1 978654176 NIUDEMKEFMSZAJ-STQMWFEESA-N 301.346 -0.152 30 20 DBED C=CCN[C@H]1CCC[C@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)C1 981365689 VDJQNCZRZBWZRB-QWRGUYRKSA-N 322.365 -0.390 30 20 DBED C#Cc1ccc(C(=O)N(C)[C@H]2CCCN(C(=O)C(N)=O)C2)cn1 984572199 NENVBVIHQQAXJU-ZDUSSCGKSA-N 314.345 -0.389 30 20 DBED C[C@@H]1[C@@H](NC(=O)[C@H]2CC(=O)N(C)C2)CCN1C(=O)C#CC1CC1 988496025 IHLROLBPEITRRP-XBFCOCLRSA-N 317.389 -0.016 30 20 DBED C=CCN1CC[C@@H](NC2CCN(C(=O)CC(N)=O)CC2)C1=O 990422624 JCMUFZDSMZSDIS-GFCCVEGCSA-N 308.382 -0.771 30 20 DBED C[C@]1(C(=O)N2CC(NC(=O)c3ccc(C#N)[nH]3)C2)CNC(=O)C1 990898406 KAYMUSOSJJXQSS-OAHLLOKOSA-N 315.333 -0.647 30 20 DBED Cc1nc(O)[nH]c1C(=O)NC1CN(C(=O)c2c[nH]c(C#N)c2)C1 994052217 GRZFTQJJCUCRGT-UHFFFAOYSA-N 314.305 -0.122 30 20 DBED C#CCNC1CCN(C(=O)Cn2nc3n(c2=O)CCCC3)CC1 997172752 RLEXOWRQCGKLEM-UHFFFAOYSA-N 317.393 -0.405 30 20 DBED C=C1CC(C)(C(=O)NC2CN(C(=O)[C@@H]3CN(C)C(=O)N3)C2)C1 999264543 WBWZVUJADKRJSP-NSHDSACASA-N 306.366 -0.307 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](NC(=O)c2ncn(C)n2)C(C)(C)C1 1008112509 PBIDSXWLJXVNDD-ZJUUUORDSA-N 304.354 -0.058 30 20 DBED N#Cc1cc(C(=O)N2C[C@@H]3CCC[C@]3(NC(=O)C(N)=O)C2)c[nH]1 1008192870 KMUDXKMTPRSNMU-BONVTDFDSA-N 315.333 -0.517 30 20 DBED Cc1nn[nH]c1C(=O)NCC1[C@H]2CN(C(=O)C#CC3CC3)C[C@H]12 1009323050 LJLVETXSSDBCPK-CHWSQXEVSA-N 313.361 -0.039 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](CNC(=O)c3c[nH]c(=O)cn3)[C@H]2C1 1009438962 OKUKVZZVXNJFCN-XWLWVQCSSA-N 315.333 -0.636 30 20 DBED C#Cc1ccc(C(=O)N2C[C@H]3C(NC(=O)c4cnon4)[C@@H]3C2)cn1 1013634400 HPESZMWVTZJJCH-VXGBXAGGSA-N 323.312 -0.054 30 20 DBED C=CCCN1CC[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 1015788874 LQXTZGIJURBWIJ-NSHDSACASA-N 306.366 -0.536 30 20 DBED C#CCN1CCC2(CC1)C[C@H]2NC(=O)c1cn(C)c(=O)nc1O 1016968737 PIICENCNHJMEFD-GFCCVEGCSA-N 316.361 -0.297 30 20 DBED CN1C(=O)CN(CC(=O)N2[C@H]3CC[C@H]2CN(CC#N)C3)C1=O 1018169881 OJPJNKBIBQDVCF-QWRGUYRKSA-N 305.338 -0.921 30 20 DBED Cc1cccnc1C(=O)N[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1O 1023337660 AFMYVJIJFJFUQQ-IJLUTSLNSA-N 302.334 -0.149 30 20 DBED Cn1nnnc1CNC[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 1026759439 HZXGSUOASCOPLZ-JTQLQIEISA-N 314.353 -0.338 30 20 DBED C#CCN1[C@H]2CC[C@H]1CN(C(=O)c1cn(CCOC)nn1)C2 1029300432 FHNCCLVBVKYXCT-STQMWFEESA-N 303.366 -0.154 30 20 DBED C#CCCN1[C@H]2CC[C@H]1CN(C(=O)CCn1ncn(C)c1=O)C2 1029404670 NIBJWABMFTZPGP-KBPBESRZSA-N 317.393 -0.330 30 20 DBED C=C(C)CCN1CC(NC(=O)C2(n3cnnn3)CCOCC2)C1 1031087596 OTLNYGPSBUEDGI-UHFFFAOYSA-N 320.397 -0.055 30 20 DBED C#CCN1CCO[C@H](CNC(=O)[C@@H]2CCCN(C(C)=O)C2)C1 1035436346 CBTNSQZCEODLNM-HUUCEWRRSA-N 307.394 -0.305 30 20 DBED CC#CCN1CCO[C@H](CNC(=O)[C@H]2CCc3nncn3C2)C1 1035610245 VMTBNYQXMZRLTG-UONOGXRCSA-N 317.393 -0.319 30 20 DBED COCCn1cc(C(=O)N2CC[C@H]3[C@H](CCN3CC#N)C2)nn1 1036708893 MDWMTNUKPUEENB-OCCSQVGLSA-N 318.381 -0.016 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2[C@H]3C[C@H]2N(Cc2nnn(C)n2)C3)cn1 1037680686 QQGFZLNOBFMJHG-NJZAAPMLSA-N 323.360 -0.411 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2[C@H]3C[C@H]2N(CC(=O)N(C)C)C3)nc1 1037691352 VYGHJLGFEAIKEV-JGGQBBKZSA-N 312.373 -0.046 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2CCN2Cc2cnon2)nn1 1038792572 XEYQSUAGKJCIRA-NSHDSACASA-N 303.326 -0.149 30 20 DBED O=C(C#CC1CC1)NC[C@@]1(O)CCN(C(=O)c2cn[nH]c2)C1 1039677666 KSYGADMYPUHMEJ-HNNXBMFYSA-N 302.334 -0.484 30 20 DBED CN1CC[C@@H](C(=O)NC[C@@]2(O)CCN(C(=O)C#CC3CC3)C2)C1 1039760467 NDFHTVWSYVUTJL-PBHICJAKSA-N 319.405 -0.569 30 20 DBED C=CCCC(=O)N1CC[C@@](O)(CNC(=O)c2cn(CC)nn2)C1 1040773335 WQAIJDRQPLEAAN-OAHLLOKOSA-N 321.381 -0.043 30 20 DBED C#CCOCCC(=O)N1CC[C@](O)(CNC(=O)[C@H]2CC23CC3)C1 1041024669 UAEAILCPBBZXMT-DYVFJYSZSA-N 320.389 -0.094 30 20 DBED N#Cc1cnccc1N1C[C@@H](O)[C@H](NC(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1041272543 LUQLRAAFCIFEQQ-OGMFBOKVSA-N 314.345 -0.489 30 20 DBED C=CCCOCC(=O)N1CC(O)(CNC(=O)[C@@H](C)OC)C1 1041773795 WGNUKOKRVIRVJF-LLVKDONJSA-N 300.355 -0.697 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)c2cc(C#N)c[nH]2)C1 1042402045 VICCWRLENUQZIZ-UHFFFAOYSA-N 318.333 -0.608 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)c2ccc(O)nn2)C1 1042936808 QQSSPCRGBGEKTJ-UHFFFAOYSA-N 318.333 -0.855 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)CCCCC(N)=O)C1 1042940113 LAKBUGLXWLIYHF-UHFFFAOYSA-N 323.393 -0.619 30 20 DBED N#Cc1ccc(C(=O)N2CC(O)(CNC(=O)C#CC3CC3)C2)[nH]1 1042959421 YPFNLOHXKMAYGU-UHFFFAOYSA-N 312.329 -0.397 30 20 DBED C[C@@H](CC(N)=O)C(=O)N1CC(O)(CNC(=O)C#CC(C)(C)C)C1 1042970586 QKHDWORENJYQSN-NSHDSACASA-N 323.393 -0.763 30 20 DBED Cc1cnccc1CC(=O)NCC1(O)CN(C(=O)[C@@H](C)C#N)C1 1043170532 GQAUROHZQMRDIV-NSHDSACASA-N 316.361 -0.218 30 20 DBED C=CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)CCCOC)C1 1043570740 KCZPEFCMGOSINE-LBPRGKRZSA-N 314.382 -0.306 30 20 DBED COCC(=O)N1CCO[C@@H]2CN(c3cnc(C#N)cn3)C[C@@H]21 1043648039 VIKLMZSRELPLIT-NWDGAFQWSA-N 303.322 -0.589 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)c2cocc2C)C1 1044885857 FYCNYCOTBMURKK-GFCCVEGCSA-N 320.345 -0.071 30 20 DBED C=CCCCC(=O)NCC1(O)CN(C(=O)CNC(=O)C2CC2)C1 1045451497 SJWWQKKJOSZCAQ-UHFFFAOYSA-N 323.393 -0.442 30 20 DBED CCn1ncc(C(=O)N2CC(O)(CNC(=O)[C@H](C)C#N)C2)c1C 1045547267 YOJRORLAHFODOR-SNVBAGLBSA-N 319.365 -0.326 30 20 DBED CC(C)n1cc(C(=O)N2CC(O)(CNC(=O)[C@@H](C)C#N)C2)cn1 1045547400 ZHXDMPGZJIZINT-NSHDSACASA-N 319.365 -0.073 30 20 DBED CCCn1cc(C(=O)N2CC(O)(CNC(=O)[C@H](C)C#N)C2)cn1 1045555180 OCYVCTMXACVHRU-LLVKDONJSA-N 319.365 -0.244 30 20 DBED C=CCN1CCC(C)(NC(=O)[C@@H]2CCS(=O)(=O)N2)CC1 1045642883 QUTFIPAPBLJUTH-NSHDSACASA-N 301.412 -0.165 30 20 DBED C=C1CC(C)(C(=O)NCC2(O)CN(C(=O)c3nc[nH]n3)C2)C1 1046306562 JRSRGEMBLUYRKG-UHFFFAOYSA-N 305.338 -0.536 30 20 DBED CC#CCN1CC[C@@](C)(NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 1046667475 VZJCHHVUJOCRBM-MRXNPFEDSA-N 318.377 -0.699 30 20 DBED N#CCN1CCC(F)(F)[C@H](CNC(=O)c2c[nH]c(=O)cn2)C1 1046971045 MWDYUYNDOOGWHQ-SECBINFHSA-N 311.292 -0.020 30 20 DBED COCc1nn(C)cc1C(=O)N(C)[C@H]1CN(CC#N)C[C@@H]1O 1047433099 XAMXIZLLCMGBAA-STQMWFEESA-N 307.354 -0.793 30 20 DBED CN(C(=O)C(C)(C)c1cnn(C)c1)[C@H]1CN(CC#N)C[C@@H]1O 1047580352 GYMATXAHOOXFGX-STQMWFEESA-N 305.382 -0.275 30 20 DBED C=CCO[C@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cn[nH]c2)C1 1048366281 FGDXHHPVVLKILP-WXHSDQCUSA-N 322.365 -0.356 30 20 DBED O=C(C#CC1CC1)N1C[C@@H]2CN(CCN3CCNC3=O)C[C@@H]2C1 1048811942 UJRSNJZDTMJKHO-GASCZTMLSA-N 316.405 -0.185 30 20 DBED C=C(C)CCC(=O)N(C)[C@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1O 1048940938 BDCXFDYCECWSOT-RYUDHWBXSA-N 322.369 -0.941 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cc2cncn2C)C1 1049111165 GFLWYRZPJFQBRF-KBPBESRZSA-N 320.393 -0.041 30 20 DBED Cc1nccc(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)C#N)C2)n1 1049401461 FNEJBJINRJIZAS-ICCXJUOJSA-N 317.349 -0.412 30 20 DBED COCc1nn(C)cc1C(=O)NC[C@@H]1COCCN1CC#N 1050990530 HRKMTDALLWJZJI-LLVKDONJSA-N 307.354 -0.479 30 20 DBED C=C(C)CN1CCOC[C@H]1CNC(=O)c1ccc(=O)n(C)n1 1051237512 UPEKIXZEQRAWBR-GFCCVEGCSA-N 306.366 -0.213 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)C(=O)N1CC[C@@H](C)C1)CCO2 1053502433 UKEKPZPAZGXJRV-CQSZACIVSA-N 319.405 -0.209 30 20 DBED Cn1cc(C(=O)NC[C@H]2CCC3(CN(CC#N)C3)O2)nc1O 1053656568 XSEFPCKWBJSCSD-SNVBAGLBSA-N 305.338 -0.388 30 20 DBED Cn1cccc(C(=O)NC[C@H]2CCC3(CN(CC#N)C3)O2)c1=O 1053685856 AKRGRIQOHDJIEQ-GFCCVEGCSA-N 316.361 -0.128 30 20 DBED C=C(C)CN1CC2(C[C@@H](NC(=O)CN3CCOCC3)CO2)C1 1053781485 LGZGTMQQWOFINZ-CQSZACIVSA-N 309.410 -0.146 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)[C@@H]3CCc4nn[nH]c4C3)CO2)C1 1053981360 ISCKHMIQSWSNRY-MNOVXSKESA-N 316.365 -0.607 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)[C@@H]3CCc4n[nH]cc4C3)CO2)C1 1053981564 OMNXEFNYELPSRL-DGCLKSJQSA-N 315.377 -0.002 30 20 DBED CCN1CCO[C@@H](C(=O)N[C@H]2COC3(C2)CN(CC#N)C3)C1 1054014276 KWACNDNPFHCTJR-CHWSQXEVSA-N 308.382 -0.810 30 20 DBED C[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1NCc1nnnn1C 1054547145 KGTXIJRXGFXYRX-JOYOIKCWSA-N 314.353 -0.340 30 20 DBED Cc1cn2nc(C(=O)N3C[C@@H](C)[C@@H](NCC#N)C3)cc2c(=O)[nH]1 1054929962 IVCKERXLEOEWCX-SKDRFNHKSA-N 314.349 -0.095 30 20 DBED CNC(=O)CCCC(=O)N1C[C@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2C1 1055296561 DNGQIDUUKKRLDU-RWMBFGLXSA-N 320.393 -0.021 30 20 DBED Cn1cnc(C(=O)NC2[C@H]3CN(c4ccncc4C#N)C[C@H]23)n1 1056201477 KFKAHLVIEOOLAQ-QWRGUYRKSA-N 309.333 -0.054 30 20 DBED Cc1nn[nH]c1C(=O)NC1[C@@H]2CN(c3cncc(C#N)n3)C[C@@H]12 1056363228 XNRUOQCMCHYDRU-NXEZZACHSA-N 310.321 -0.361 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](Nc2ncnc3c2nnn3C)C1 1056587678 OBMOYUOOHVGMKC-DTWKUNHWSA-N 300.326 -0.069 30 20 DBED N#Cc1nccnc1N1CCCN(C(=O)[C@@H]2COC(=O)N2)CC1 1057132738 ZTZHQWVPUDQHLL-NSHDSACASA-N 316.321 -0.505 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)c1cnn(C)c1OC 1057168646 OAQDJEDWWWBDGQ-UHFFFAOYSA-N 324.381 -0.054 30 20 DBED C#CCNC(=O)CC(=O)NCCN(CCO)C(=O)CCC=C 1057171136 PBMFYSKLYWUGLQ-UHFFFAOYSA-N 309.366 -0.971 30 20 DBED C#CCO[C@H](C)C(=O)N(CCO)CCNC(=O)[C@@H](C)COC 1057583330 NMOKDQVSRQJHFS-QWHCGFSZSA-N 314.382 -0.756 30 20 DBED C#CCOCCC(=O)N(CCO)CCNC(=O)c1c[nH]nc1C 1057583935 BNCUSGUZVAOUDS-UHFFFAOYSA-N 322.365 -0.691 30 20 DBED CN1CC[C@@H](C(=O)N(CCO)CCNC(=O)C#CC(C)(C)C)C1 1057632867 ZSPLQNBCRDEPDG-CQSZACIVSA-N 323.437 -0.075 30 20 DBED N#Cc1nccnc1N1CCC(NC(=O)[C@H]2CNC(=O)N2)CC1 1057934206 SNFMSYFMVVARLX-LLVKDONJSA-N 315.337 -0.885 30 20 DBED N#Cc1nc(=N[C@H]2C[C@H](NC(=O)c3cnns3)C2)cc[nH]1 1059155975 LCDKWFQIAOMASM-ZKCHVHJHSA-N 301.335 -0.005 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](CCNC(=O)[C@@H](C)OC)C1 1059502519 SRQPEFUXMCHAEE-CHWSQXEVSA-N 323.393 -0.484 30 20 DBED N#Cc1nc(=N[C@H]2C[C@@H](NC(=O)c3cnns3)C2)cc[nH]1 1059580244 LCDKWFQIAOMASM-OCAPTIKFSA-N 301.335 -0.005 30 20 DBED C#CCO[C@@H](C)C(=O)NCC[C@H]1CCN(C(=O)c2cnn[nH]2)C1 1059904233 VDDCWSZXVSLRAP-RYUDHWBXSA-N 319.365 -0.189 30 20 DBED CN(C(=O)Cn1ncnn1)[C@@H]1CCN(c2ccc(C#N)nn2)C1 1062980346 KFIQHTVHELBZPI-LLVKDONJSA-N 313.325 -0.928 30 20 DBED C[C@]1(NC(=O)[C@@H]2COCCO2)CCN(c2ccc(C#N)nn2)C1 1065210068 KCWPNVKLOVAWSN-WFASDCNBSA-N 317.349 -0.151 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CN(C(=O)c2cccnn2)CCO1 1065514171 JCDRVIAHVOHYNH-WDEREUQCSA-N 303.322 -0.407 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](CNC(=O)c3ccc[nH]3)C2)nn1 1067655838 GUEJHUPGEQQSSV-MFKMUULPSA-N 312.333 -0.097 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](CNC(=O)c3cnn[nH]3)C2)nc1 1067697783 NWYLJZPLBHAYAF-ZYHUDNBSSA-N 313.321 -0.702 30 20 DBED CC(C)N(C)CC(=O)N[C@@H]1COC2(C1)CN(C(=O)[C@@H](C)C#N)C2 1068899043 FAWJSWIMNUJWNU-STQMWFEESA-N 322.409 -0.028 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)C[C@@H]2CCNC2=O)C1 1069945762 VGDSBMMGQPBSTF-XQQFMLRXSA-N 318.381 -0.668 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)[C@H]2CCC(=O)N2)CCOCC1 1070038884 HFQSGUWRURTQDH-WDEREUQCSA-N 322.365 -0.794 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)[C@@]23COC[C@@H]2C3)CCOCC1 1070233959 JBULEQVVEOPBML-MKBNYLNASA-N 321.377 -0.036 30 20 DBED C#CCCCC(=O)N1CCC[C@@H](NC(=O)Cn2cnnn2)C1 1070668663 FPECDXIMVADYGU-GFCCVEGCSA-N 304.354 -0.416 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1c1cncn1C 1070702353 ZGEZXAVOIKHPDJ-DGCLKSJQSA-N 313.365 -0.620 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)[C@@H](C)n2cccn2)CC1 1070943661 YRDVGTUNDPPYJV-CQSZACIVSA-N 317.393 -0.272 30 20 DBED CC1(NC(=O)CCNC(N)=O)CCN(C(=O)C#CC2CC2)CC1 1073013049 OPMXCADHQILOKD-UHFFFAOYSA-N 320.393 -0.045 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C2CN(C(=O)CCN(C)C)C2)CC1 1073596679 CLABSEOMRRHLOZ-ZDUSSCGKSA-N 321.425 -0.547 30 20 DBED C=CCCN1CCCO[C@H](CNC(=O)[C@H]2CN(C)C(=O)N2)C1 1073726647 PCEGZRQTRAFSNF-CHWSQXEVSA-N 310.398 -0.207 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)CCn3cncn3)C[C@@H]21 1074170023 HNBUHWQGNHZCDE-UONOGXRCSA-N 303.366 -0.397 30 20 DBED C=CCOCC(=O)N1CCC(O)(CNC(=O)C(F)F)CC1 1074515542 HEMDNUOXBFHNSZ-UHFFFAOYSA-N 306.309 -0.076 30 20 DBED C[C@H]1[C@@H](N[C@H]2CCNC2=O)CCN1C(=O)c1ccc(C#N)[nH]1 1074609922 RJMIOPNETHEPIP-DLOVCJGASA-N 301.350 -0.033 30 20 DBED CC(=O)N(C)CC(=O)NCC1(O)CCN(C(=O)[C@@H](C)C#N)CC1 1074703393 DBLRVEOYOJLFSF-NSHDSACASA-N 324.381 -0.906 30 20 DBED C[C@@H](CCNC(=O)CSCC#N)NC(=O)c1ncn(C)n1 1075675967 VVDYHNLODSESDO-VIFPVBQESA-N 310.383 -0.304 30 20 DBED C=CCOCC(=O)N[C@@H](C)CCNC(=O)c1cc(=O)n(C)o1 1076286330 BNEQIOGZSGSANG-JTQLQIEISA-N 311.338 -0.195 30 20 DBED C[C@@H](CCNC(=O)C#CC1CC1)NC(=O)[C@@H]1CN(C)C(=O)N1 1076432294 KFVXHJIDZXTNLW-JQWIXIFHSA-N 306.366 -0.566 30 20 DBED C[C@@H](CCNC(=O)C#CC1CC1)NC(=O)CCS(C)(=O)=O 1076433493 DKHLNYQSJYIFJJ-NSHDSACASA-N 314.407 -0.155 30 20 DBED C#CCOCCC(=O)NCC[C@H](C)NC(=O)C1(NC(N)=O)CC1 1076504404 ZBINZEILHAAJSE-NSHDSACASA-N 324.381 -0.762 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)[C@@H](C)OCC=C 1077066011 DQZDQFLMSWUQLN-QWHCGFSZSA-N 323.393 -0.272 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC(=O)N(CC(C)C)C2)C1 1077087216 AEKYMKTZNVFXAZ-RBSFLKMASA-N 321.421 -0.325 30 20 DBED CCN(C(=O)CCn1cnnn1)C1CN(C(=O)[C@@H](C)C#N)C1 1080344256 QNBPMKLRFGDIKF-JTQLQIEISA-N 305.342 -0.718 30 20 DBED CSCC(=O)NC[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1O 1081237775 TYNWWXYCKKWHLW-CMPLNLGQSA-N 322.390 -0.202 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)COCCOC)C[C@H]1O 1081333539 UVNRCCSEYRCISF-QWHCGFSZSA-N 314.382 -0.449 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)C2(C(=O)NC)CC2)C[C@@H]1O 1081335393 KSSXGLPLDCTILY-RYUDHWBXSA-N 323.393 -0.586 30 20 DBED C#CCCCC(=O)N1C[C@H](CNC(=O)COCC=C)[C@@H](O)C1 1081346870 NLYSVKSNQSZAHH-KBPBESRZSA-N 308.378 -0.072 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2cncn2C)C[C@@H]1O 1081347602 XXXYVAAVQMGTOZ-AAEUAGOBSA-N 322.365 -0.828 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cnnn2C)C1 1081444461 JCPJYMKKOMFKLD-PWSUYJOCSA-N 307.354 -0.670 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1cn2cccnc2n1 1081893996 ICVGWZOZNNLVMK-ZYHUDNBSSA-N 300.322 -0.318 30 20 DBED C=CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CN(C)C[C@@H](C)O1 1083119397 QIIQZIFJELUIBQ-LXTVHRRPSA-N 309.410 -0.197 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)C1CCC(C(N)=O)CC1 1083127151 BIQQFUWNTUDIDE-PFSRBDOWSA-N 319.405 -0.177 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CCNC(=O)CC1 1083153909 VHQPBLDQNVFGSC-RWMBFGLXSA-N 306.366 -0.662 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)c2nc(OC)cc(OC)n2)C1 1083572035 XQWJGXBHHRHWRG-MNOVXSKESA-N 320.349 -0.708 30 20 DBED CN(C[C@@H]1CCN1[C@@H]1CCNC1=O)C(=O)c1ccc(C#N)[nH]1 1085553600 QKKBFZJAFKFWOW-WCQYABFASA-N 301.350 -0.079 30 20 DBED N#CCN1CC[C@@H](NC(=O)Cc2cnn3ccccc23)[C@H](O)C1 1090330430 WDRZSZZLWDYVON-UKRRQHHQSA-N 313.361 -0.048 30 20 DBED C#CCN1CC[C@H](NC(=O)c2c(OC)ccnc2OC)[C@H](O)C1 1090424099 WHOFASGMQKIQNC-NWDGAFQWSA-N 319.361 -0.103 30 20 DBED COCCC(=O)N1CCCO[C@H](CN=c2cc[nH]c(C#N)n2)C1 1090564768 IGEPRVWPDQRAIM-GFCCVEGCSA-N 319.365 -0.164 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2noc3c2COCC3)[C@H](O)C1 1090825181 WVRJYXNRPXEDAP-VXGBXAGGSA-N 305.334 -0.455 30 20 DBED C[C@@]1(CNC(=O)CC(N)=O)CN(c2ccc(C#N)cn2)CCO1 1092736960 ZXQQYKFJQSXEMB-OAHLLOKOSA-N 317.349 -0.460 30 20 DBED CCNC(=O)CC(=O)NC1[C@H]2CN(c3ccnc(C#N)n3)C[C@H]12 1093265614 JEDHEZVJMKSNLX-UWVGGRQHSA-N 314.349 -0.575 30 20 DBED C#CCOCCC(=O)NC1[C@@H]2CN(c3cncc(C#N)n3)C[C@@H]12 1093312201 VRDUGHWSUIIRFX-CHWSQXEVSA-N 311.345 -0.061 30 20 DBED C#CCNC(=O)CC(=O)NCCNc1snc(C)c1C#N 1093558163 FAYZTXVBWMAGJU-UHFFFAOYSA-N 305.363 -0.009 30 20 DBED COc1cc(CC(=O)NCCN=c2cc[nH]c(C#N)n2)ccn1 1094120043 FNMIWMZHXPIITC-UHFFFAOYSA-N 312.333 -0.055 30 20 DBED CC#CCN1CC(N2C[C@@H](NC(=O)Cc3ccon3)CC2=O)C1 1094714732 BDURRKZOMCWJKO-ZDUSSCGKSA-N 316.361 -0.358 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)c3cnnc(C)c3)CC2=O)C1 1094729428 BYSCXYPGAHXOJF-CYBMUJFWSA-N 313.361 -0.567 30 20 DBED C[C@@]1(C(=O)N[C@H]2CC(=O)N(C3CN(CC#N)C3)C2)CCOC1 1094802237 SYKRWDZHWHRAPT-XHDPSFHLSA-N 306.366 -0.662 30 20 DBED C=CCn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC(=O)NC)nn1 1096125274 KTYJKWVIZJKHFI-MDZLAQPJSA-N 318.381 -0.455 30 20 DBED CN(C)C(=O)CC(=O)N[C@H]1CCN(c2nccnc2C#N)C1 1096487842 CYCARROTGJTXEL-JTQLQIEISA-N 302.338 -0.479 30 20 DBED C[C@H](CNC(=O)[C@@H]1CCCN1C(N)=O)Nc1ccc(C#N)nn1 1097920530 YJCQIQOEEHBGCS-KOLCDFICSA-N 317.353 -0.192 30 20 DBED C[C@@H](CNC(=O)C[C@H]1CCC(=O)N1)Nc1cncc(C#N)n1 1097949761 BCPDNDAYPLNIEE-VHSXEESVSA-N 302.338 -0.066 30 20 DBED Cc1cc(C#N)nc(N[C@@H](C)CNC(=O)[C@H]2CN(C)C(=O)N2)n1 1098213496 JKFGGVOSPJMDEB-GXSJLCMTSA-N 317.353 -0.403 30 20 DBED C[C@@H](CNC(=O)[C@H]1C[C@H]1C(=O)N(C)C)Nc1cnc(C#N)cn1 1098269267 HSZIABKIWNUZOS-ZMLRMANQSA-N 316.365 -0.011 30 20 DBED N#CCNCc1cn([C@H]2CCN(C(=O)[C@@H]3CCOC3)C2)nn1 1098633279 KUBSRVMMMDERFZ-YPMHNXCESA-N 304.354 -0.299 30 20 DBED CNS(=O)(=O)CC(=O)NC[C@H]1CCC(C)(C)CN1CC#N 1099344149 HGMVWBAUVZLTAT-LLVKDONJSA-N 316.427 -0.334 30 20 DBED C=C(C)CCN1CC[C@@H](NC(=O)CCS(C)(=O)=O)[C@@H](O)C1 1099895101 ULJVDIFKQIDGSN-OLZOCXBDSA-N 318.439 -0.061 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CCN2C(=O)CCC2=O)[C@H](O)C1 1099909751 XILHLVRWTUPCLR-CHWSQXEVSA-N 321.377 -0.900 30 20 DBED C=CCCN1CC[C@H](NC(=O)CCN2CCOCC2)[C@H](O)C1 1100037115 UEZFRXZVRLFJLQ-LSDHHAIUSA-N 311.426 -0.164 30 20 DBED C=CCN1CC[C@H](NC(=O)CS(=O)(=O)C(C)(C)C)[C@H](O)C1 1100077214 YYSIJPHQDMVXEQ-NWDGAFQWSA-N 318.439 -0.063 30 20 DBED CN(CCNC(=O)CN1C(=O)CCC1=O)c1ncccc1C#N 1100102732 YQDYVFVCHREZRM-UHFFFAOYSA-N 315.333 -0.345 30 20 DBED CN(CCNC(=O)CN1C(=O)CCC1=O)c1ccc(C#N)cn1 1100107141 WMNOZJUMZBJUAG-UHFFFAOYSA-N 315.333 -0.345 30 20 DBED C=CCCCN1CC[C@H](NC(=O)c2cn(C)c(=O)n2C)[C@@H](O)C1 1100129129 IIEQBMCCFYVNOU-JSGCOSHPSA-N 322.409 -0.145 30 20 DBED C=CCNC(=O)CNC1CC(CNC(=O)CNC(=O)CC)C1 1100187606 DSTSPXZTFANONB-UHFFFAOYSA-N 310.398 -0.701 30 20 DBED CNC(=O)NC(=O)[C@@H](C)NC1CC(CNC(=O)C#CC(C)C)C1 1100310518 VLFNHQBHBZKLJR-PNESKVBLSA-N 322.409 -0.026 30 20 DBED CCN(CCNC(=O)c1cc(=O)n(C)o1)c1cncc(C#N)n1 1100506034 DQMVAGMXJSKTPB-UHFFFAOYSA-N 316.321 -0.104 30 20 DBED CCN(CCNC(=O)[C@H]1CC(=O)N(C)C1)c1cnc(C#N)cn1 1100749373 VSXILBNRDQNYAO-NSHDSACASA-N 316.365 -0.231 30 20 DBED C#CCCNC1CC(CNC(=O)CN2C(=O)NC(=O)C2(C)C)C1 1100827905 ZXEUIAKBWYZAOV-UHFFFAOYSA-N 320.393 -0.176 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CC2(CN(CCO)C2)n2ccnc21 1101626062 VBVAFGNPBDMQSZ-DOMZBBRYSA-N 320.393 -0.226 30 20 DBED CN(CCNc1ncc(C#N)cc1F)C(=O)c1nnn(C)n1 1101896760 OMKMRGJEMLLRTC-UHFFFAOYSA-N 304.289 -0.200 30 20 DBED C[C@H](CC(N)=O)C(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(C#N)n1 1102570082 NZPAQLLPIWILCE-USWWRNFRSA-N 314.349 -0.351 30 20 DBED CC(=O)N(C)CC(=O)N(C)[C@@H]1CCN(c2cnc(C#N)cn2)C1 1102671280 IVTWAWPUYBVELA-CYBMUJFWSA-N 316.365 -0.136 30 20 DBED CCN(C(=O)CC(N)=O)[C@H]1CCN(c2cnc(C#N)cn2)C1 1102783312 BECKNEKNXIQZSE-NSHDSACASA-N 302.338 -0.349 30 20 DBED CC[C@H](CNC(=O)[C@H]1CN(C)CCO1)Nc1nccnc1C#N 1103031418 YCWLAQAMSJDUHG-DGCLKSJQSA-N 318.381 -0.014 30 20 DBED C#CCO[C@H](C)C(=O)N(C)[C@H](C)CNc1ccc2nnnn2n1 1104683974 PTUVNORVHSWKIH-GHMZBOCLSA-N 317.353 -0.184 30 20 DBED C#CCCNCc1cn(C2CN(C(=O)c3cnnn3C)C2)nn1 1105224825 DULPAJZBPFRGPH-UHFFFAOYSA-N 314.353 -0.783 30 20 DBED C=CCOCC(=O)N(C)CCN(C)c1ncnc2c1nnn2C 1105351118 AIWJFTFYGHEIIG-UHFFFAOYSA-N 319.369 -0.145 30 20 DBED C#CCNC(=O)CN[C@@H]1C[C@]2(C[C@H]1O)CN(C(C)=O)[C@@H]2C(C)C 1105581553 JVQYDWRUBKGZCA-SRABZTEZSA-N 321.421 -0.278 30 20 DBED Cc1cc(CC(=O)NC[C@H](O)CNc2cncc(C#N)n2)n[nH]1 1105817134 WRSJUQUBQHXLEF-GFCCVEGCSA-N 315.337 -0.489 30 20 DBED Cc1nonc1CC(=O)NC[C@@H](O)CNc1ncccc1C#N 1105947256 ACQLOGSCEVVRRB-LLVKDONJSA-N 316.321 -0.224 30 20 DBED C#CCOCCC(=O)NC[C@@H](O)CNc1ncnc2c1CCC2 1105965536 CXECLPLZTVUEQN-GFCCVEGCSA-N 318.377 -0.106 30 20 DBED C#CCNC[C@@H]1CN(C(=O)[C@H]2CCc3nnc(O)n3C2)C[C@H]1C 1106335003 KAOQCXXQYIUMDB-FRRDWIJNSA-N 317.393 -0.137 30 20 DBED C[C@H](CCNc1nccnc1C#N)NC(=O)C1(C(N)=O)CC1 1106549647 GJYIUYPNNVTKSK-SECBINFHSA-N 302.338 -0.080 30 20 DBED Cn1cnnc1CN1CCO[C@@](C)(CNC(=O)C#CC2CC2)C1 1107932035 FCSILAYSTNZUIH-INIZCTEOSA-N 317.393 -0.064 30 20 DBED C#CCNC(=O)CN1CCO[C@@](C)(CNC(=O)[C@H]2CC23CC3)C1 1108241387 ZVDWVROUDOUQBO-CJNGLKHVSA-N 319.405 -0.257 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H](C)CNc1ncnc2c1nnn2C 1108530576 ODRQOQNYUSKKOB-UWVGGRQHSA-N 317.353 -0.287 30 20 DBED C=C(C)CCC(=O)N[C@@H]1CC(=O)N(C2CN(CC(=O)NC)C2)C1 1108547944 AJJNUTLCORKVNE-GFCCVEGCSA-N 322.409 -0.510 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H]2C[C@@H](NCCOC)C[C@H]1C2 1108664836 NSPUPDUGGOIWJU-BFHYXJOUSA-N 307.394 -0.259 30 20 DBED N#Cc1cnc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)CCc2nc[nH]n2)cn1 1109692756 DYGHQFJFBSYCGL-VPJDZLOFSA-N 324.348 -0.208 30 20 DBED N#Cc1cncc(NC2(CNC(=O)C(=O)NCC3CC3)CC2)n1 1110210141 MRSQNAGBJGIOKI-UHFFFAOYSA-N 314.349 -0.065 30 20 DBED Cc1cc(=NC2(CNC(=O)[C@H]3CNC(=O)N3)CC2)c(C#N)c[nH]1 1110324232 FCONGNXTFLUCLV-GFCCVEGCSA-N 314.349 -0.574 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@]1(C)CNC(=O)C1 1110840853 FLLZTHPZJJBAFV-VWPFQQQWSA-N 319.405 -0.116 30 20 DBED C=CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H](C)NS(C)(=O)=O 1111065256 WQDRKNPHGRRKPI-QCNOEVLYSA-N 301.412 -0.168 30 20 DBED N#Cc1c[nH]ccc1=NCCN(CCO)C(=O)[C@@H]1[C@H]2COC[C@H]21 1111536610 VRCIVSUSTKWUJH-NHAGDIPZSA-N 316.361 -0.500 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)[C@@H]2CC(=O)N(C)C2)CC1 1112908682 CSPRGAXBHZKPNE-QWHCGFSZSA-N 322.409 -0.700 30 20 DBED COCC#CCN1CCN(C(=O)CN(C)C(=O)C(C)C)CC1 1112911402 RXXSZDPFNLKPOX-UHFFFAOYSA-N 309.410 -0.105 30 20 DBED COCCOCC(=O)N[C@@H](C)[C@H](C)N=c1cc[nH]c(C#N)n1 1112934526 ZSMSQZOKMYOHMS-QWRGUYRKSA-N 307.354 -0.262 30 20 DBED C[C@H](CNC(=O)[C@@H]1CN(C)CCO1)N(C)c1nccnc1C#N 1113533620 IRSTWZZDBQYHJI-YPMHNXCESA-N 318.381 -0.380 30 20 DBED C[C@@H](CNC(=O)c1cc(=O)n(C)o1)N(C)c1cnc(C#N)cn1 1113579553 PCULLDBNZBOORD-VIFPVBQESA-N 316.321 -0.105 30 20 DBED CCn1cccc1C(=O)N1CCN(CC(=O)NCC#N)CC1 1113638827 GRIFYJKXKQHRDH-UHFFFAOYSA-N 303.366 -0.094 30 20 DBED C[C@H](CNC(=O)[C@H]1CCN(C)C1=O)N(C)c1ccnc(C#N)n1 1113827089 SHEBONSMOKJSBE-GHMZBOCLSA-N 316.365 -0.233 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)C3=COCCC3)[C@H]2C1 1114002156 JJINXJROFOUFNF-STQMWFEESA-N 303.362 -0.524 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)Cc3cnc(C)o3)[C@H]2C1 1114401496 RGLRSDWKKSXMHW-STQMWFEESA-N 318.377 -0.126 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)[C@H](C(C)C)N(C)C)[C@@H]2C1 1114440460 SVEAEZFEIXRMSP-IOASZLSFSA-N 322.453 -0.079 30 20 DBED C=CCOCCN1C[C@H]2[C@H](NC(=O)[C@@H]3CCC(=O)N3C)[C@H]2C1 1114696381 VIQLSCYUJBDPOF-SFDCQRBFSA-N 307.394 -0.144 30 20 DBED C=C(C)CN1C[C@H]2[C@H](NC(=O)CNS(=O)(=O)N(C)C)[C@H]2C1 1114894387 FBLXPSQGQCMEAG-PJXYFTJBSA-N 316.427 -0.995 30 20 DBED COC(=O)CCCNC(=O)CCN/C(O)=C1/N=CC=CC1=O 1116110670 IZCIKBMWWCMKIF-YPKPFQOOSA-N 309.322 -0.028 30 20 DBED N#CCCCNC(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1 1116567534 MNJGJMCZTBQOSZ-UHFFFAOYSA-N 309.347 -0.021 30 20 DBED CC[C@H](C(=O)NCCN/C(O)=C1\N=CC=CC1=O)C(=O)OC 1116762052 ZEDWSTCFYZCIHF-IAJSMXOOSA-N 309.322 -0.172 30 20 DBED C=C(C)COCCNC(=O)C(=O)N1CCC[C@@H](CC(N)=O)C1 1117558284 VRDHDSLPJRFPOJ-LBPRGKRZSA-N 311.382 -0.191 30 20 DBED C=CCNC(=O)NC(=O)Cn1nc(-c2cnn(C)c2)ccc1=O 1117668946 ZSPZYJLADXZULK-UHFFFAOYSA-N 316.321 -0.344 30 20 DBED COCC1=CCN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)CC1 1118187416 PBNBPVSIBKHOQP-OAHLLOKOSA-N 307.350 -0.331 30 20 DBED C=C(C)[C@@H]1OCC[C@H]1Cn1nnnc1N1CCCNC(=O)C1 1120204624 ULEQWFXCDPVMFX-AAEUAGOBSA-N 306.370 -0.019 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)C[C@@H]2COC(=O)C2)nn1 1121303875 RPMRJCAXWPXKRI-GXSJLCMTSA-N 319.321 -0.810 30 20 DBED Cc1[nH]nc(C(=O)NC[C@H](CO)Nc2cncc(C#N)n2)c1O 1121454094 GNRSQUUJUNOAFA-SECBINFHSA-N 317.309 -0.712 30 20 DBED Cc1[nH]nc(C(=O)NC[C@@H](CO)Nc2cncc(C#N)n2)c1O 1121454095 GNRSQUUJUNOAFA-VIFPVBQESA-N 317.309 -0.712 30 20 DBED C[C@@H](CC(N)=O)C(=O)NC[C@H](CO)Nc1ncc(C#N)cc1F 1122353918 FJBVSXFZIRSWRL-WCBMZHEXSA-N 323.328 -0.507 30 20 DBED CN(C[C@H](O)CNc1cncc(C#N)n1)C(=O)c1cn(C)cn1 1124246543 RZXILCISVIUFHJ-LLVKDONJSA-N 315.337 -0.373 30 20 DBED C[C@H](CC(N)=O)C(=O)N(C)C[C@@H](O)CN=c1cc[nH]cc1C#N 1124689607 WFVQUNNDMFHVAT-PWSUYJOCSA-N 319.365 -0.882 30 20 DBED CN(C[C@@H](O)CN(C)c1ccnc(C#N)n1)C(=O)CC(C)(C)O 1125100997 ZNFHXCXXDMTDQQ-NSHDSACASA-N 321.381 -0.235 30 20 DBED CN(C[C@H](O)CN(C)c1cncc(C#N)n1)C(=O)c1cnon1 1125140158 UQAXKENWJLZYGJ-SNVBAGLBSA-N 317.309 -0.699 30 20 DBED C#CCO[C@H](C)C(=O)NCCNC[C@@H](O)COCc1ccco1 1127052068 QQOAHAGKIQFBBQ-ZIAGYGMSSA-N 324.377 -0.099 30 20 DBED C=CCN1CC[C@@H](c2n[nH]cc2CNC(=O)CNC(=O)NC)C1 1130392646 RWCMESGOKUDVIJ-LLVKDONJSA-N 320.397 -0.070 30 20 DBED CC(C)C#CC(=O)NCc1nc([C@@H]2COCCN2CC#N)n[nH]1 1130843015 OWOPQKQQXGXFSW-LBPRGKRZSA-N 316.365 -0.023 30 20 DBED CC(C)(C(=O)NCCNCC(=O)NCC#N)C1CCOCC1 1131093871 DDPBFAZPPKXONS-UHFFFAOYSA-N 310.398 -0.215 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)Cc1cc(C)nn1C 1131286870 INPQRDOIXJTHIX-LBPRGKRZSA-N 305.382 -0.885 30 20 DBED C#Cc1cncc(C(=O)NCCNC[C@@H](O)COCCOC)c1 1133592763 ALUZOEZABYDYGV-OAHLLOKOSA-N 321.377 -0.594 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCNCCNS(C)(=O)=O 1135145518 MJIYGZGSGNRHKM-RYUDHWBXSA-N 319.427 -0.777 30 20 DBED CC#CCN[C@@H](C)C[C@H](C)NC(=O)CN1C(=O)C(=O)N(C)C1=O 1135594333 ZHIXXRKNPSNCIJ-QWRGUYRKSA-N 322.365 -0.697 30 20 DBED CC(C)N(C)CC(=O)N[C@H](C)C[C@@H](C)NCC(=O)NCC#N 1146592291 IZRFFDIOIIXJMP-CHWSQXEVSA-N 311.430 -0.161 30 20 DBED C=CCOCCNCCNC(=O)c1ccnc2nc(C)nn12 1147645717 YWPPOCWMGCDVAV-UHFFFAOYSA-N 304.354 -0.045 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)Cc1cc(C)[nH]n1 1152675453 LMDNBIABZQTINY-GFCCVEGCSA-N 320.397 -0.273 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)c1ccc(C#N)[nH]1 1152775352 RPRSPQHEHZIJGA-LLVKDONJSA-N 316.365 -0.034 30 20 DBED C=CCCOCC(=O)NCCNC[C@@H]1CCS(=O)(=O)C1 1153085686 HMJQVHVVQDNRQS-LBPRGKRZSA-N 304.412 -0.280 30 20 DBED N#Cc1ccc(CNCCCNC(=O)Cn2ncnn2)s1 1158163058 IEGYMLGGHJVRMI-UHFFFAOYSA-N 305.367 -0.098 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@H]1CCn2ccnc2C1 1161314652 GLCYTTUMUYSQML-ZDUSSCGKSA-N 319.409 -0.156 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)Cc1ccc(O)nc1 1162731260 MLBCKSBBWZEHBU-GFCCVEGCSA-N 318.377 -0.437 30 20 DBED Cc1ccn([C@@H](C)CC(=O)NCCCNCC(=O)NCC#N)n1 1163865056 HVCFYNWFDKUGTR-ZDUSSCGKSA-N 320.397 -0.122 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)[C@@H](CC)NC(C)=O 1167185349 KHOHDABFIAULEP-DGCLKSJQSA-N 312.414 -0.312 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)[C@H](C)OCCOC 1167552146 HMSSQPHNYTYRQH-OLZOCXBDSA-N 313.398 -0.728 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)[C@@H](C)OCCOC 1167552147 HMSSQPHNYTYRQH-QWHCGFSZSA-N 313.398 -0.728 30 20 DBED CC#CCNCCCC[C@@H](C)NC(=O)Cn1cnc(C(N)=O)n1 1170878244 MAHISMDUBMDJSQ-GFCCVEGCSA-N 320.397 -0.335 30 20 DBED C#CCNCCCC[C@H](C)NC(=O)CN1CC(=O)N(C)C1=O 1176136287 RSUZMBRNPFXHSN-LBPRGKRZSA-N 308.382 -0.222 30 20 DBED C#CCCN1CCO[C@H]2CCN(C(=O)CN(C)C(C)=O)C[C@@H]21 1176930233 QQQTUGZYBWJPPJ-GJZGRUSLSA-N 307.394 -0.210 30 20 DBED CC(=O)NCCOCCN[C@H]1CCN(C(=O)[C@@H](C)C#N)[C@H]1C 1178351277 KKCMGFJFMPSYFQ-OBJOEFQTSA-N 310.398 -0.122 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC[C@H](NCC(=O)NCC#N)[C@@H]1C 1178582351 XPOBKYTYMBGFKP-HUBLWGQQSA-N 308.382 -0.468 30 20 DBED CC#CCN[C@@H]1CCN(C(=O)[C@H](Cc2cnc[nH]2)NC(C)=O)C1 1185377679 IOKGQLVSIGEYTF-HIFRSBDPSA-N 317.393 -0.329 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@@H](CNCCO)C2(CCOCC2)C1 1186382776 SBVFXDDUWANLTQ-LSDHHAIUSA-N 324.421 -0.138 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H](C)CCCOC)C1 1186902368 FRGLDYRSGFWWPD-ZIAGYGMSSA-N 309.410 -0.011 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@H]2CN(Cc3nnn(C)n3)C[C@H]21 1187882323 NEGKPUWGMRJICT-FRRDWIJNSA-N 318.381 -0.719 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3n[nH]cc3F)[C@@H]2C1 1189070384 ZEQBHFMIBTWKSU-CMPLNLGQSA-N 319.340 -0.556 30 20 DBED CN(CC(=O)NCC#N)[C@@H]1CCN(C(=O)Cc2ccon2)C1 1189472441 TVBJDPVWHRJFBV-GFCCVEGCSA-N 305.338 -0.610 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC[C@@H](N(C)CC(N)=O)C1 1192687343 FJFVCVDPMMVOSV-CHWSQXEVSA-N 310.398 -0.525 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(CCOC2CCC2)C[C@H]1O 1192891389 LZGHINHRFBYHHK-BPLDGKMQSA-N 310.394 -0.245 30 20 DBED CCN(CCC#N)C(=O)CN1C[C@@H](O)[C@H](NC(=O)C2(C)CC2)C1 1193111001 LVSNRHYNWKYANI-CHWSQXEVSA-N 322.409 -0.290 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@@H]1CCN(C(=O)Cc2nc[nH]n2)C1 1193372279 BHMDPZFSWUAGSY-VXGBXAGGSA-N 318.381 -0.982 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)COCc2nccn2C)C1 1193988611 RDMZRMGCTPZWFO-CHWSQXEVSA-N 306.366 -0.879 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)CCOC[C@H]2CCCO2)C1 1194352887 YSCQPFNTWGGJPX-RBSFLKMASA-N 310.394 -0.243 30 20 DBED C=C[C@@](C)(CCOC)C(=O)N[C@@H]1CN(CC(=O)NC)C[C@H]1O 1194996367 AXGCVWXDWDLEHG-JMSVASOKSA-N 313.398 -0.878 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)[C@@H]2C[C@@H]2C(=O)OC)CC1 1195174422 NOXIYUSFIJKMIX-OLZOCXBDSA-N 323.393 -0.368 30 20 DBED C#CCO[C@H](C)C(=O)N1CCCN(Cc2ncnn2C)CC1 1195792754 ZJVVSOPKIAHZGF-CYBMUJFWSA-N 305.382 -0.112 30 20 DBED COCC#CCN1CCCN(C(=O)CO[C@@H]2CCOC2)CC1 1195806993 RDRJBZBWZCAYQV-OAHLLOKOSA-N 310.394 -0.024 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)CO[C@@H](C)c2nccn2C)C1 1198234354 VKFOBKMXOICBAV-BFHYXJOUSA-N 320.393 -0.318 30 20 DBED CNC(=O)NCC(=O)NC[C@H](NCC#N)c1ccccc1OC 1198750988 DBORNOKORKVLJO-LBPRGKRZSA-N 319.365 -0.105 30 20 DBED C#CCCNC[C@H]1CN(C(=O)C[C@H]2CC(=O)NC2=O)CCCO1 1202249485 BBYNVWZEPQFUBV-OLZOCXBDSA-N 321.377 -0.730 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC(CNCc2nnn(C)n2)CC1 1205266208 ZCEHRMLGVWCKEP-GFCCVEGCSA-N 320.397 -0.423 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1NC(=O)CCCn1c(O)nnc1O 1207784698 RPZHWVWPYJROTC-NXEZZACHSA-N 308.342 -0.570 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)c2nn(C)cc2C)C1 1208008028 DDPROLJJOMMLDP-ZDUSSCGKSA-N 317.393 -0.328 30 20 DBED CC#CCN[C@H]1CCCN(C(=O)CN2CCN(C)C(=O)C2)C1 1208454039 RGBLIEFHKQXIEE-AWEZNQCLSA-N 306.410 -0.636 30 20 DBED CN(C)CCCCC(=O)N1CCC[C@H](NCC(=O)NCC#N)C1 1210750672 HNEAEDNFFDBDIJ-AWEZNQCLSA-N 323.441 -0.061 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)Cc1ccc[nH]1 1211195448 UXJKLQAHFUQJNC-DGCLKSJQSA-N 303.366 -0.367 30 20 DBED C#CCCN1C[C@@H](NC(=O)CCc2cn(C)nn2)[C@H](OC)C1 1213997263 LMTZIPKDYIKJJG-ZIAGYGMSSA-N 305.382 -0.414 30 20 DBED C=CCCN[C@@H]1CN(C(=O)[C@@H](C)NS(C)(=O)=O)C[C@H]1C 1215684866 GNWRZIYNALUUID-IJLUTSLNSA-N 303.428 -0.063 30 20 DBED C=CCC[C@H](C)N1C[C@H]2[C@@H](C1)OCCN2C(=O)Cn1cnnn1 1217249369 VYSITNABGMHWNO-MELADBBJSA-N 320.397 -0.061 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(Cc2ncc(C)o2)C[C@@H]1O 1219527277 LCRRHHJHMJCLDP-XUJVJEKNSA-N 309.366 -0.029 30 20 DBED CC(C)COC[C@H](O)CN1C[C@H](O)[C@H](NC(=O)C#CC2CC2)C1 1219594529 PKHGICJUEOJPQT-OAGGEKHMSA-N 324.421 -0.405 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)C[C@H](C)N2CCCC2=O)C1 1220753187 COUUYLDZKNTGQD-MJBXVCDLSA-N 307.394 -0.428 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)CNC(=O)CC(C)(C)C)C1 1221007720 QVQOCVYZRNLJMD-OLZOCXBDSA-N 309.410 -0.277 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)[C@@H](C)c2cnn(C)c2)C1 1221202630 KJTITMBOUSFRGZ-CFVMTHIKSA-N 322.409 -0.113 30 20 DBED C=CCNC(=O)CN1CC[C@@H]2CN(C(=O)CC(C)(C)O)[C@@H]2C1 1221511397 YPDLQINPQSTJGU-CHWSQXEVSA-N 309.410 -0.018 30 20 DBED N#CCNC(=O)CN1CCC(NC(=O)c2ccccn2)CC1 1225805745 XPFVRAZAADQIFQ-UHFFFAOYSA-N 301.350 -0.084 30 20 DBED C#CCOCCC(=O)NC1CCN(Cc2nc(=O)n(C)[nH]2)CC1 1227331911 CDSFRNIMEGXQPY-UHFFFAOYSA-N 321.381 -0.771 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1n[nH]cc1F 1228418114 AUOORYDPYXCFOQ-VXGBXAGGSA-N 321.356 -0.071 30 20 DBED C=CCNC(=O)CN1CC[C@H]1CN(C)C(=O)[C@@H]1CC(=O)N(C)C1 1234634867 RSBLYJREXOZOPA-OLZOCXBDSA-N 322.409 -0.700 30 20 DBED Cc1ncn(C)c1C(=O)N(C)C[C@@H]1CCN1CC(=O)NCC#N 1235566907 CVUBQSLKPPNAKO-LBPRGKRZSA-N 318.381 -0.485 30 20 DBED C=C[C@H](COC)NC(=O)N1CCN(S(=O)(=O)N(C)C)CC1 1261637383 QYGQJLICVMDSOJ-LLVKDONJSA-N 320.415 -0.679 30 20 DBED C[C@H](C(=O)NC1(C#N)CCC1)N1CCN(C(C)(C)C(N)=O)CC1 1321729071 KDQYJOFDRPAPPW-GFCCVEGCSA-N 321.425 -0.181 30 20 DBED COCC(=O)N1CCN(C(=O)C(=O)NCC2(CC#N)CC2)CC1 1324175515 XAPNPTIJVOACQX-UHFFFAOYSA-N 322.365 -0.886 30 20 DBED C[C@H](NC(=O)C(=O)N1CCC(C)(C#N)CC1)[C@@H]1CN(C)CCO1 1324279637 FHWXWLBMIOOFKD-STQMWFEESA-N 322.409 -0.026 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)NC1CCN(C(=O)C2CC2)CC1 1325428099 ZIFRZQYUYFUMOZ-GFCCVEGCSA-N 323.393 -0.179 30 20 DBED CN(C)C[C@](C)(C#N)NC(=O)c1cn(CC2(C)COC2)nn1 1326716554 VLKDXEMPLVSBHN-AWEZNQCLSA-N 306.370 -0.112 30 20 DBED CO[C@@H]1CS(=O)(=O)C[C@H]1/N=C/c1c(CO)cnc(C)c1O 1327264453 NHRLSORSOTWLRR-ZJDNHZGMSA-N 314.363 -0.181 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CC[C@@H](CN2CCCC2=O)C1 1328074712 GEOGZOUYMQYEBL-QWHCGFSZSA-N 323.393 -0.226 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CCC[C@@H](C(=O)NC2CC2)C1 1329626046 IRZYPHIMULOSDA-VXGBXAGGSA-N 323.393 -0.179 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CCO[C@@H]3CCC[C@@H]32)nn1 1330381672 MKCYRCWYTFBARR-QWHCGFSZSA-N 319.365 -0.140 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)NC[C@H]1CCCNC1=O 1331528542 NWSVWAHRTKPQLT-VXGBXAGGSA-N 309.366 -0.827 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)N2CCC[C@H](n3ccnn3)C2)CCO1 1332003325 SRJUSLXOHSMAHX-RYUDHWBXSA-N 318.337 -0.807 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CCOC3(CCC3)C2)nn1 1332046089 WTVJWGRSXWGWMT-UHFFFAOYSA-N 319.365 -0.138 30 20 DBED CN(C)C(=O)CN1CCN(c2nnc(CCCC#N)n2C)CC1 1340018800 UOTWKOGXYNZWIW-UHFFFAOYSA-N 319.413 -0.128 30 20 DBED N#CCNC(=O)CNC(=O)[C@@H]1CCS(=O)(=O)c2ccccc21 1342995957 DMUFNYBNIUEYTC-LLVKDONJSA-N 321.358 -0.296 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)NCC1(S(C)(=O)=O)CCC1 1343079134 FYVONWCQSQCHMN-SNVBAGLBSA-N 318.395 -0.613 30 20 DBED C#CC1(O)CCN(C(=O)NCCC(=O)N2CCOCC2)CC1 1345526048 KCOXVBGDFUMGME-UHFFFAOYSA-N 309.366 -0.595 30 20 DBED CC(C)NC(=O)[C@H](C#N)C(=O)C1CCN(S(C)(=O)=O)CC1 1347063839 OHNRKDQIIQGBIT-LLVKDONJSA-N 315.395 -0.109 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)Nc2cccc(C(N)=O)c2)C1 1349156879 ZTLJMRKABXLFFV-HNNXBMFYSA-N 316.317 -0.399 30 20 DBED CCN(C1CCN(C(=O)C#CCOC)CC1)S(C)(=O)=O 1350667700 ONPBRDHZBTXUOI-UHFFFAOYSA-N 302.396 -0.091 30 20 DBED C=CCS(=O)(=O)CCN1C(=O)N[C@@H]([C@H]2CCCOC2)C1=O 1350943771 IIUZEOUHDXZWAA-QWRGUYRKSA-N 316.379 -0.066 30 20 DBED CC[C@@H]1CN(C)CCCN1C(=O)Cn1cc(C#N)c(O)nc1=O 1362486739 ZJKGEJBZBXJVSY-GFCCVEGCSA-N 319.365 -0.237 30 20 DBED N#Cc1ccc(F)c(NC(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)c1 1364130391 YWTJIQQBMGESKM-GHMZBOCLSA-N 313.310 -0.023 30 20 DBED CN(CCNC(=O)CO[C@@H]1CCOC1)c1cncc(C#N)n1 1366812195 NLMBOUFAAYLFDY-GFCCVEGCSA-N 305.338 -0.294 30 20 DBED C[C@@H](CNC(=O)CCS(=O)(=O)N(C)C)NC(=O)[C@@H](C)C#N 1372907603 WGVVHQCNMBZKJB-UWVGGRQHSA-N 318.399 -0.952 30 20 DBED N#Cc1ccc(CNC[C@@H](O)CNC(=O)[C@@H]2COCCO2)cc1 1374585907 KWXRRVAOLKMBRW-CABCVRRESA-N 319.361 -0.460 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CCNC(=O)[C@H](C)NC(N)=O)CC1 1375426793 ZVPGBABJXOZADV-QWRGUYRKSA-N 323.397 -0.052 30 20 DBED CCc1nn(C)cc1C(=O)N(C)C[C@@H](O)CNC(=O)[C@@H](C)C#N 1384229900 UNHRRZSQGSAUJW-QWRGUYRKSA-N 321.381 -0.309 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(CCNC(=O)[C@@H]2CCCCO2)CC1 1385524909 IJXYXFLKTQCRDY-KBPBESRZSA-N 322.409 -0.024 30 20 DBED C[C@@H](CNC(=O)c1ccc(C#N)[nH]1)NC(=O)c1cnnn1C 1386718239 AHQXKZLLYLVQON-QMMMGPOBSA-N 301.310 -0.437 30 20 DBED Cc1cc(CCC(=O)NC[C@H](O)CNC(=O)[C@H](C)C#N)no1 1389128655 OKDMTVWGLADJBD-SKDRFNHKSA-N 308.338 -0.331 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(CC(=O)N2CCCC[C@@H]2C)C1 1393305100 QXNGXKQAMJEOKD-STQMWFEESA-N 322.409 -0.290 30 20 DBED COCCC1(C(=O)N(C)C[C@H](O)CNC(=O)[C@@H](C)C#N)CC1 1396021311 ZVKYTRMQDIVULT-NWDGAFQWSA-N 311.382 -0.102 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C(=O)[C@@H](NC(N)=O)C(C)(C)C)CC1 1396731225 ITTULAQIPCRAGK-WDEREUQCSA-N 323.397 -0.100 30 20 DBED COCC(=O)N[C@H](C(=O)NC1CN(C(=O)[C@@H](C)C#N)C1)C(C)C 1398606983 SPCIIPSYLCXDOF-GWCFXTLKSA-N 324.381 -0.740 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]1CNC(=O)CCn1cnccc1=O 1400486741 QMVANGKWHKVOOG-NWDGAFQWSA-N 317.349 -0.490 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](CNC(=O)c1nccnc1N)C1CC1 1407601489 NARGTEIPTJRQJN-WCBMZHEXSA-N 302.338 -0.157 30 20 DBED Cc1c[nH]c(CC(N)=O)c1C(=O)NCCN(C)C(=O)[C@H](C)C#N 1408701550 ZJSJNSPLLVDDFG-SECBINFHSA-N 319.365 -0.301 30 20 DBED C=C(Cl)CN(C)[C@H](C)CNC(=O)Cn1ncn(C)c1=O 1409584411 NNYRVYKRBRRZFZ-SNVBAGLBSA-N 301.778 -0.229 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]1CNC(=O)Cn1ccccc1=O 1417025117 KLIRBPMSTWZRLT-NEPJUHHUSA-N 302.334 -0.275 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CN(C)[C@H](C)C(=O)NC(N)=O)CC1 1420936509 RRPWDJWZFXMFHS-WDEREUQCSA-N 323.397 -0.100 30 20 DBED CCCn1cc(C(=O)N(C)C[C@H](O)CNC(=O)[C@@H](C)C#N)nn1 1425879694 SLMRFSFTTOXQHF-WDEREUQCSA-N 322.369 -0.603 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CN(C)C(=O)CCc1ccncn1 1428207749 XVUNKBLUTRVCDC-WCQYABFASA-N 319.365 -0.496 30 20 DBED CC1CCN(CC(=O)NCCn2cc(C#N)c(O)nc2=O)CC1 1453847115 YDUWPJVLADSJJD-UHFFFAOYSA-N 319.365 -0.331 30 20 DBED CNC(=O)NCCC(=O)N[C@@H](C)CNC(=O)c1cc(C#N)c[nH]1 1458392152 FSPZZICRGUZOKH-VIFPVBQESA-N 320.353 -0.560 30 20 DBED N#Cc1cn(CC(=O)Nc2nnc3ccccn23)c(=O)nc1O 1464299513 YAJBYSDFHWMAHY-UHFFFAOYSA-N 311.261 -0.498 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)CCc2ccncn2)C1 1479954408 HVUVZHCYZBQDFF-CQSZACIVSA-N 315.377 -0.651 30 20 DBED C[C@H](C#N)C(=O)N(C)C[C@@H]1CCN(C(=O)c2ncn(C)n2)C1 1497892189 AGSXRQRBEOHLHL-MNOVXSKESA-N 304.354 -0.105 30 20 DBED CCc1cc(C(=O)NC[C@@H](O)CNC(=O)[C@@H](C)C#N)n(C)n1 1501605894 VBGFEAVTELJSPK-ONGXEEELSA-N 307.354 -0.651 30 20 DBED C[C@@H](C(=O)NC[C@H]1C[C@@H](NC(=O)[C@H](C)C#N)C1)S(C)(=O)=O 1514879257 ZUESMUADHYCHDL-YTWAJWBKSA-N 315.395 -0.410 30 20 DBED Cn1c(=O)[nH]c(N2CCC[C@H](CC#N)C2)c(-c2nn[nH]n2)c1=O 1570918094 LHRNQGDROBSDFA-MRVPVSSYSA-N 316.325 -0.616 30 20 DBED C=CCC(C)(C)C(=O)NC[C@@H](O)CNC(=O)CNC(=O)O 1573351772 YBSNYVQGYRLCJB-VIFPVBQESA-N 301.343 -0.550 30 20 DBED C#CC1(O)CN(C[C@H](O)COc2ccc(C(=O)O)cc2OC)C1 1588382313 MJQSJKSVBVIRJC-LBPRGKRZSA-N 321.329 -0.187 30 20 DBED C#CC[C@@H](NC(=O)c1c(C)oc(C)c1S(N)(=O)=O)C(=O)O 1588414720 YHLHBYDKBMAWFG-MRVPVSSYSA-N 314.319 -0.250 30 20 DBED C[C@@H](CNc1ccc(-c2nn[nH]n2)nn1)NC(=O)C#CC1CC1 1591724842 HPOIHNIBSZUIBJ-VIFPVBQESA-N 312.337 -0.013 30 20 DBED N#CC1(COC(=O)Cc2ccc(-c3nn[nH]n3)nc2)COC1 1592669939 PGKSJLAYYINYEY-UHFFFAOYSA-N 300.278 -0.112 30 20 DBED N#CCC1(O)CN(C(=O)[C@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 1592673721 LWNCPRXCDRSBRE-LLVKDONJSA-N 314.305 -0.613 30 20 DBED N#Cc1ccsc1NC(=O)C(=O)N1CCC[C@H](O)[C@H]1C(=O)O 1601129502 HPARXBKNUNVJCI-IUCAKERBSA-N 323.330 -0.005 30 20 DBED C#CCN1CCC[C@H](NC(=O)N2C[C@@H](C(=O)O)C[C@@H](O)C2)C1 1602720790 HJRNRWPJCWVUSE-RWMBFGLXSA-N 309.366 -0.439 30 20 DBED C[C@@H]1CN(C(=O)Cn2cnc(C#N)c2-c2nn[nH]n2)CCO1 1603921583 PORBADCNJKVKTO-MRVPVSSYSA-N 302.298 -0.818 30 20 DBED COCC#CC(=O)N1C[C@@H](C(=O)O)C2(CC(C(=O)OC)C2)C1 1604505023 MVJYCCJZSKQOLL-VTWZXRTESA-N 309.318 -0.251 30 20 DBED COC(=O)c1cc(-c2nn[nH]n2)c(=O)n(CCO[C@H](C)C#N)c1 1604963840 AOCXMCFABJIENZ-MRVPVSSYSA-N 318.293 -0.256 30 20 DBED CCn1c([C@H]2SCCNC2=O)nnc1N1CCO[C@@H](C#N)C1 1647719600 ZEKKTBXJVFURJQ-VHSXEESVSA-N 322.394 -0.069 30 20 DBED Cc1cc(C(=O)N2[C@H]3CC[C@H]2CN(CC(=O)NCC#N)C3)n[nH]1 1752524334 PGQAUMVKMNXEKL-RYUDHWBXSA-N 316.365 -0.353 30 20 DBED COCC#CCN[C@H](C)CNC(=O)c1ccc(C(N)=O)cn1 1752923813 JLNIPWZZZDNFPZ-LLVKDONJSA-N 304.350 -0.462 30 20 DBED C#CCNC(=O)CN(C)CCNC(=O)C[C@@H](OC)C(F)(F)F 1753069634 MWMHULFFNIBAPP-SNVBAGLBSA-N 323.315 -0.249 30 20 DBED N#CCNC(=O)CN1CC[C@@H](CNC(=O)Cc2cc[nH]n2)C1 1753123341 BLWUVHQASOGIMK-NSHDSACASA-N 304.354 -0.970 30 20 DBED N#CCNCC[C@H]1CCCCN1C(=O)[C@@H]1CC(=O)NC(=O)N1 1753786680 ZQNUCUNPMUSONU-MNOVXSKESA-N 307.354 -0.531 30 20 DBED CCOCC(=O)N1CCC[C@@H](C)[C@@H]1CNCC(=O)NCC#N 1753804707 VMBCPKBQEJAVNZ-OLZOCXBDSA-N 310.398 -0.121 30 20 DBED CC(C)[C@H](CNC(=O)Cc1cnoc1)NCC(=O)NCC#N 1753839680 ZNLZLKFZAPUWQU-LBPRGKRZSA-N 307.354 -0.413 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@@H](C)NC(=O)C1(CN(C)C)CC1 1754239378 VBOVYQKQKHRXCA-CHWSQXEVSA-N 308.426 -0.440 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@H](C)NC(=O)c1cncc(C#C)c1 1754282724 LARPURWBGRZBCE-QWHCGFSZSA-N 312.373 -0.091 30 20 DBED N#CCNC[C@H](NC(=O)Cn1nc2n(c1=O)CCCC2)C1CC1 1754457064 GDUCRACXDLVNAY-LBPRGKRZSA-N 318.381 -0.611 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N1CC[C@@H]1CNC(=O)C(F)F 1754469038 ROIKYXAFBRREQI-RKDXNWHRSA-N 318.324 -0.158 30 20 DBED C[C@@H]1C[C@H](NCC(=O)NCC#N)CCN1C(=O)c1cn[nH]c1 1754591084 PPAXROYEMYUJPE-ZYHUDNBSSA-N 304.354 -0.368 30 20 DBED C=CCNC(=O)CN1CC[C@](C)(NC(=O)c2cnn(C)c2)C1 1754664159 CCVYIBBYDYGMOD-HNNXBMFYSA-N 305.382 -0.084 30 20 DBED COCC#CCN1CC[C@](C)(NC(=O)[C@H]2CCC(=O)N2C)C1 1754678971 XHJCSSKEFMBHJL-CJNGLKHVSA-N 307.394 -0.162 30 20 DBED C#CCNC1(CNC(=O)c2ccc3nnnn3c2)CCOCC1 1754738815 MWYDSBBFYUDKOU-UHFFFAOYSA-N 314.349 -0.374 30 20 DBED C=CCNC(=O)CNC[C@H]1CN(C(=O)Cn2cncn2)C[C@@H]1C 1754827875 ZWGBJJYDZVLPJR-STQMWFEESA-N 320.397 -0.736 30 20 DBED COCCOCCN1CC2(C[C@@H](NC(=O)[C@H](C)C#N)CO2)C1 1755060291 ZHDLNEOVHCZCCV-CHWSQXEVSA-N 311.382 -0.231 30 20 DBED C#CCCN[C@@H]1CN(C(=O)COCc2nncn2C)C[C@@H]1C 1755119030 MRZCXTMPSNPIBB-QWHCGFSZSA-N 305.382 -0.209 30 20 DBED C=C(C)CN1CC(CCO)(NC(=O)CNS(=O)(=O)CC)C1 1755333408 JSCGTWBZLPDQAQ-UHFFFAOYSA-N 319.427 -0.945 30 20 DBED CNC(=O)NC(=O)CN1CC([C@H](C)NC(=O)C#CC(C)(C)C)C1 1755375243 XJQLCPJOEBKDTK-NSHDSACASA-N 322.409 -0.072 30 20 DBED C[C@@H](CN(C)C(=O)c1c[nH]c(C#N)c1)N[C@H]1CCC(=O)NC1=O 1755580686 BOMZQHGVDPWODE-CABZTGNLSA-N 317.349 -0.258 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)C(=O)NCC2CC2)[C@@H]1C 1755665524 XUMNZLLAFXIYBG-DGCLKSJQSA-N 322.409 -0.606 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C[C@@H](O)CN(C)Cc1ncccn1 1755800437 IKLAMAFEMWDSKD-KBPBESRZSA-N 320.393 -0.234 30 20 DBED C=CCN1CC=C(CNC(=O)Cn2cnc(C(N)=O)n2)CC1 1755887879 FZAIFEIAFCZJIZ-UHFFFAOYSA-N 304.354 -0.689 30 20 DBED C#CCOCCC(=O)N[C@@H](C)C1CN(C(=O)C(C)(C)C(N)=O)C1 1756141814 KCBKTPGLMTZBNR-NSHDSACASA-N 323.393 -0.499 30 20 DBED C#CCNC(=O)CC(=O)N1CC([C@@H](C)NC(=O)[C@@H]2C[C@H]2C)C1 1756151973 GRTLFMWDCJWNSJ-NQBHXWOUSA-N 305.378 -0.255 30 20 DBED C=CCOCC(=O)N1C[C@H]2CC[C@H]1CN2C(=O)CCNC(N)=O 1756163888 RALYIAAAXYCQDC-NEPJUHHUSA-N 324.381 -0.551 30 20 DBED C[C@H](C#N)C(=O)NCCOCCN(C)C(=O)[C@H]1CCC(=O)N1C 1756381898 RZIUPSHZRUKUNL-VXGBXAGGSA-N 324.381 -0.642 30 20 DBED CNC(=O)CC(=O)N[C@@H](C)CN(C)C(=O)CSCC#N 1756431851 KRLKVJKSVJJALM-VIFPVBQESA-N 300.384 -0.658 30 20 DBED CC#CCCCC(=O)N[C@@H](CO)CNC(=O)[C@H]1CCCNC1=O 1756527502 HRFCHUJGCMUCMX-OLZOCXBDSA-N 323.393 -0.701 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(C(=O)c2[nH]ccc2C)C[C@H]1O 1756997074 FFJWCNWICZZJGE-CHWSQXEVSA-N 319.361 -0.335 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CCCCN1C)CCO2 1783045891 DZQFVASEUXMUFU-YOEHRIQHSA-N 319.405 -0.066 30 20 DBED N#CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1ccnc1 1794868352 SMHVHKNXAOARIR-JJLQDPRZSA-N 317.349 -0.614 30 20 DBED C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCc1nc(N)n[nH]1)C2 1801599703 JXOVOZOVZGSZFP-JGPRNRPPSA-N 316.365 -0.409 30 20 DBED N#CC1(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@@H]2CNC(=O)O2)CC1 1847848068 LRFMQLHRSQXSOB-DCAQKATOSA-N 318.333 -0.400 30 20 DBED C#CCNC(=O)COC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 7314045 QPYJXZZFBMDKCT-UHFFFAOYSA-N 324.358 -0.157 30 20 DBED CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)OCC#N)cc1 28608656 VYBPQJFLUPDSSQ-UHFFFAOYSA-N 311.319 -0.010 30 20 DBED CCN1CCN(CCNc2c(C#N)c(=O)n(C)c(=O)n2C)CC1 31784531 JIGDKEGDIVRGHF-UHFFFAOYSA-N 320.397 -0.995 30 20 DBED C=CCn1nnn(CN2CCN(S(C)(=O)=O)CC2)c1=S 49320237 YADKTQZXPXZTSP-UHFFFAOYSA-N 318.428 -0.470 30 20 DBED CCS(=O)(=O)NCCNC(=O)C(=O)Nc1cccc(C#N)c1 62197286 HZYAQMCVGJCBON-UHFFFAOYSA-N 324.362 -0.448 30 20 DBED CC[C@@H](C#N)NC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C 102349701 UTQDUPQLQRORMM-VIFPVBQESA-N 301.306 -0.336 30 20 DBED N#Cc1ccc(CCC(=O)N2CCN(S(N)(=O)=O)CC2)cc1 110686231 JZOYMOOPWZGKGG-UHFFFAOYSA-N 322.390 -0.161 30 20 DBED CNC(=O)NCC(=O)N1CCN(c2cc(C#N)ccn2)CC1 270448109 BYGYMJZLCVEYCE-UHFFFAOYSA-N 302.338 -0.469 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCC2(N(C)C)CCC2)C1=O 275698101 BKDXMQZATJXQDQ-UHFFFAOYSA-N 322.365 -0.436 30 20 DBED CN1CCC(N/C(O)=N/CCS(=O)(=O)NC2CC2)CC1 328649644 IUPIUQXBENRZTF-UHFFFAOYSA-N 304.416 -0.334 30 20 DBED Cn1nnnc1C/N=C(/O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 329925355 VKJZVZNXTGGPHL-LDDIKCJXSA-N 316.321 -0.526 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@@H]1CN(C)CCO1 330375362 NTJHOTYIQFVXEZ-VXGBXAGGSA-N 304.416 -0.367 30 20 DBED CCCNC(=O)CC/N=C(/O)N1CCS(=O)(=O)C[C@@H]1C 330839867 ZEKQFIBGYHDSCE-JTQLQIEISA-N 305.400 -0.064 30 20 DBED Cc1noc(C)c1CNS(=O)(=O)N1CCO[C@H](C#N)C1 336919734 PLANOGYVKALTME-SNVBAGLBSA-N 300.340 -0.150 30 20 DBED CCN(CCC#N)S(=O)(=O)NCCCN1C(=O)CCC1=O 337083173 BGDSAKZVLZFKSQ-UHFFFAOYSA-N 316.383 -0.405 30 20 DBED CCN(CCC#N)S(=O)(=O)N(CCOC)[C@H](C)C(N)=O 337094979 PMRVRHNGMYZTMK-SNVBAGLBSA-N 306.388 -0.711 30 20 DBED CCc1nn(C)c(OC)c1CNC(=O)NCC(=O)NCC#N 345732078 JSOMWCIEDKTGRK-UHFFFAOYSA-N 308.342 -0.570 30 20 DBED CCOC(=O)CCCS(=O)(=O)NCCn1cnc(C#N)n1 352646216 PGNMCJIYOMWYED-UHFFFAOYSA-N 315.355 -0.588 30 20 DBED CN(C)C(=O)[C@@H]1CC[C@@H](CNS(=O)(=O)CC2(C#N)CC2)O1 361812840 JACVPFIVYZXWJK-QWRGUYRKSA-N 315.395 -0.155 30 20 DBED CC[C@H](N=c1nn[nH]n1-c1ccccc1)C(=O)NCC#CCO 412322064 AVQHFECKJZHICZ-ZDUSSCGKSA-N 314.349 -0.613 30 20 DBED C=CCN(CC=C)C(=O)CN1CCC[C@@H]1C(=O)NCC(=O)OC 419344963 JLBGSNFGQYNHAQ-CYBMUJFWSA-N 323.393 -0.059 30 20 DBED CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)NC[C@@H](O)CO 434990971 LYFFPEQDRMXSBO-SNVBAGLBSA-N 308.338 -0.477 30 20 DBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1cn(CCO)c(=O)nc1O 437529605 UJIVIWJQGLGPOW-JQWIXIFHSA-N 323.349 -0.348 30 20 DBED COC(=O)[C@@H]1CNC(=O)CN1S(=O)(=O)CC(C)(C)CC#N 451474741 BETIJXKPADSOBZ-VIFPVBQESA-N 317.367 -0.771 30 20 DBED C#CCN1CCN(CN2C(=O)NC3(CCN(C)CC3)C2=O)CC1 490544467 YABZFYQXKPCDCQ-UHFFFAOYSA-N 319.409 -0.789 30 20 DBED C#CCN(C)CCCNC(=O)NCCN1CCCS1(=O)=O 491544701 NAPZKKJIFAEPJP-UHFFFAOYSA-N 316.427 -0.724 30 20 DBED CNC(=O)NC(=O)CN1CCN(c2cnccc2C#N)CC1 562361663 XUSJDMAJPCBWJT-UHFFFAOYSA-N 302.338 -0.469 30 20 DBED N#Cc1ncn(CCNC(=O)N2C[C@@H]3CCC[C@]3(CN)C2)n1 593723881 JTLSJESLJAOBCP-FZMZJTMJSA-N 303.370 -0.080 30 20 DBED C[C@@H](C#N)N(CCn1cnc2c1c(=O)n(C)c(=O)n2C)C1CC1 595712192 HTDKNBNCXQBQMM-JTQLQIEISA-N 316.365 -0.190 30 20 DBED N#Cc1ccc(CCNC(=O)N2CCO[C@@H](C(N)=O)C2)cc1 596673200 NVAVFRKZFMFJIC-CYBMUJFWSA-N 302.334 -0.004 30 20 DBED Cn1c(NCC(=O)NC2CCCC2)c(C#N)c(=O)n(C)c1=O 604502015 KVJDVFJAENNYDS-UHFFFAOYSA-N 305.338 -0.574 30 20 DBED C=C[C@@H](O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCN(C)C 612895361 BVQCNPFKAYALJC-LSDHHAIUSA-N 319.405 -0.061 30 20 DBED CCN(C(=O)CN1CC[C@@](F)(C#N)C1)[C@H]1CCS(=O)(=O)C1 615646081 PVECFWFCGJPSOG-WCQYABFASA-N 317.386 -0.040 30 20 DBED CC#CC[C@H](CO)NC(=O)C(=O)Nc1cc(C(N)=O)ccc1F 646953836 ICYPBKORGRZDML-SNVBAGLBSA-N 321.308 -0.246 30 20 DBED C=CCn1nnn(CN2CC[C@@H](S(=O)(=O)NC)C2)c1=S 749791635 NFUVVVARHLQDDL-SECBINFHSA-N 318.428 -0.424 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1cc(OC)n(C)n1 772637732 GBVJZOMAWSTROG-MRVPVSSYSA-N 310.310 -0.014 30 20 DBED C#C[C@H](NC(=O)NCCNC(=O)c1cc[nH]n1)[C@H]1CCCO1 773438191 WLZQARZODPKDBK-CMPLNLGQSA-N 305.338 -0.381 30 20 DBED C#CCOc1ccc(NC(=O)C(=O)NCCOCC(N)=O)cc1 785249497 RIJVWTYSISHIDF-UHFFFAOYSA-N 319.317 -0.745 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)OCc2ccnc(N)c2)C1=O 791822229 BVIKOWYZHLWCNB-UHFFFAOYSA-N 318.289 -0.316 30 20 DBED C#CCCS(=O)(=O)N1CCC[C@@H]1C[C@]1(C)NC(=O)NC1=O 808312593 YEQZCFVARNVEJL-MFKMUULPSA-N 313.379 -0.208 30 20 DBED CCCNS(=O)(=O)NCCN/C(O)=C1\N=CC=CC1=O 813667781 XEDCFCBDKZBSTF-ZHACJKMWSA-N 302.356 -0.653 30 20 DBED CN([C@H]1CC(C)(C)OC1=O)S(=O)(=O)N1CCO[C@@H](C#N)C1 813766763 AVIFULLBXSCBRN-UWVGGRQHSA-N 317.367 -0.519 30 20 DBED CCCCCNC(=O)[C@@H](C#N)C(=O)CCn1ncn(C)c1=O 815904976 VHRXWTJWDGUFKT-NSHDSACASA-N 307.354 -0.013 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)NCCCc1cnn(C)c1 827867407 HNSXOKKNPPYIKD-UHFFFAOYSA-N 320.393 -0.033 30 20 DBED N#C[C@@H]1CNC[C@H]1NC(=O)CN1C(=O)NC2(CCCC2)C1=O 834506184 QHOXCSCMLJVWSR-NXEZZACHSA-N 305.338 -0.921 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)[C@@H]1CC(=O)N(CCC)C1 840667822 ZGSYNGIVZUFOHC-SNVBAGLBSA-N 311.338 -0.200 30 20 DBED C#CCOCCNC(=O)C(=O)Nc1ccnc(OCCO)c1 850408265 FTUCARPOEAVGCN-UHFFFAOYSA-N 307.306 -0.843 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2cc(Cl)no2)CC1 874343151 ULKQOXSSCPFCCM-UHFFFAOYSA-N 310.741 -0.165 30 20 DBED CCN(CC)C(=O)CN1CCN(C(=O)NCC#CCO)CC1 923778880 GVBJNOPCUWLCPN-UHFFFAOYSA-N 310.398 -0.822 30 20 DBED COc1ccnc(N2CCN(C(=O)NCC#CCO)CC2)c1 923781154 ZPPQAHNSPJEJPP-UHFFFAOYSA-N 304.350 -0.083 30 20 DBED O=C(N[C@H]1CCN(C(=O)C#CC2CC2)C1)c1c[nH]c(=O)cn1 938558083 MAFKXRVKLRTSSN-NSHDSACASA-N 300.318 -0.486 30 20 DBED C=CCN[C@@H]1CN(C(=O)C2(n3cnnn3)CCOCC2)C[C@H]1C 939293071 OUVGSTMAHNEGRP-CHWSQXEVSA-N 320.397 -0.199 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)[C@@H](C)C1 943229087 BQLKZRNPSMSIHY-WCQYABFASA-N 318.377 -0.843 30 20 DBED C#Cc1ccc(C(=O)N2CCCC[C@@H](NC(=O)C(N)=O)C2)cn1 943491136 OBBLFZBZADDMSU-CYBMUJFWSA-N 314.345 -0.341 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@H](CNC(=O)c2ccc(O)nn2)C1 944459592 AWHYVPMRLMROKA-VHSXEESVSA-N 319.321 -0.701 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@H](CNC(=O)c2ccnnc2)C1 944802870 MTACBVXKZMDEQN-ZYHUDNBSSA-N 303.322 -0.407 30 20 DBED CN1C[C@@H](C(=O)N2CC[C@@H]3CN(CC#N)C[C@@H]3CC2)NC1=O 946714308 NTEPSCBXWMOHOU-XQQFMLRXSA-N 305.382 -0.296 30 20 DBED Cc1nc(CC(=O)N2CCOC3(CCN(CC#N)CC3)C2)n[nH]1 949089335 GNELHJHDRNMGMD-UHFFFAOYSA-N 318.381 -0.127 30 20 DBED C#CCCN1CCOC2(CCN(C(=O)C3(C(N)=O)CC3)CC2)C1 949454936 OVDOCUNWEGLGSZ-UHFFFAOYSA-N 319.405 -0.031 30 20 DBED CCN(C(=O)c1c[nH]c(C#N)c1)C1CN(Cc2nnnn2C)C1 949918640 ACWNBWTZQIRRPS-UHFFFAOYSA-N 314.353 -0.244 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]1CNC(=O)c1cccnc1C(N)=O 950273789 IMSTWVYRBUUBBB-VHSXEESVSA-N 315.333 -0.329 30 20 DBED CC#CCN1CC(N(CC)C(=O)[C@H]2CN(C(C)=O)CCO2)C1 957343648 VKXGHVGBYXSTLL-OAHLLOKOSA-N 307.394 -0.210 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2CN(CC(N)=O)C[C@H]2O)cc1 958308923 CXOJYXMLZAWSNH-UONOGXRCSA-N 301.346 -0.824 30 20 DBED CC(C)(C)n1cnc(C(=O)NC[C@H]2CN(CC#N)C[C@@H]2O)n1 958409970 XSOGEKUVCCNHTC-QWRGUYRKSA-N 306.370 -0.421 30 20 DBED CC#CCN1C[C@H](CNC(=O)c2cc3ncccn3n2)[C@@H](O)C1 958495143 VJPDYZRXGJKUCY-JSGCOSHPSA-N 313.361 -0.225 30 20 DBED Cn1cnnc1CN1C[C@H]2[C@H](NC(=O)c3c[nH]c(C#N)c3)[C@H]2C1 958586282 HLUCQGLSBPGZIU-IMRBUKKESA-N 311.349 -0.125 30 20 DBED C[C@H](NC(=O)[C@@H]1CCc2nnc(O)n2C1)C1CN(CC#N)C1 969991761 HCJVWQOGHTUNNU-VHSXEESVSA-N 304.354 -0.494 30 20 DBED C=CCn1cc(C(=O)N2CC[C@@H](N[C@H]3CCN(C)C3=O)C2)nn1 970205844 OBBRSEYIXNCAMJ-NEPJUHHUSA-N 318.381 -0.501 30 20 DBED CCCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)nn1 970229487 HKZSYVJHKUXLOH-UMNHJUIQSA-N 320.353 -0.851 30 20 DBED CC#CCN1C[C@H]2CC[C@H]1CN2C(=O)C1CC(=O)NC(=O)C1 971916983 CSELDDKICABIPD-QWHCGFSZSA-N 303.362 -0.262 30 20 DBED C#CCN1C[C@H]2CC[C@H]1CN2C(=O)CN1C(=O)NC(=O)C1(C)C 971985872 VHRRQUWVGHIXST-NWDGAFQWSA-N 318.377 -0.375 30 20 DBED CC#CCN1C[C@H]2CC[C@H]1CN2C(=O)CN1C(=O)CCC1=O 972094931 IJYAUDBBLOCQAZ-QWHCGFSZSA-N 303.362 -0.166 30 20 DBED C=CCN(C)[C@H]1CCN(C(=O)c2c[nH]nc2S(N)(=O)=O)C1 972298273 XLZJFQDAZDABSK-VIFPVBQESA-N 313.383 -0.611 30 20 DBED CC#CCN1CCO[C@]2(CCN(C(=O)C[C@H]3CCNC3=O)C2)C1 972405245 NMSGGHSLZANNDK-RHSMWYFYSA-N 319.405 -0.161 30 20 DBED C=CCCN1CCO[C@]2(CCN(C(=O)c3nnn(C)n3)C2)C1 972512189 RDYHPKWUTHHYJB-CQSZACIVSA-N 306.370 -0.297 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@H]1CC(NC(=O)C(N)=O)C2 973652706 RADLDRBFHHKDEC-RVMXOQNASA-N 321.377 -0.299 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)Cn3cncn3)C2)nc1 974344795 PJMRMGSBELGAJH-BETUJISGSA-N 324.344 -0.268 30 20 DBED C=C(C)CN1C[C@@H]2C(CNC(=O)c3nnc(O)nc3O)[C@H]2C1 978414443 PKNKDYFZDITBBF-NXEZZACHSA-N 305.338 -0.234 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H](N(C)C(=O)C(N)=O)C1 984265965 LXKPXYAAWHIAQB-XQQFMLRXSA-N 323.393 -0.098 30 20 DBED C=CCN1CC[C@@H](N(C)C2CCN(C(=O)CC(N)=O)CC2)C1=O 985347991 JRZSMOBSLZWGBR-CYBMUJFWSA-N 322.409 -0.429 30 20 DBED C=CCN[C@@H]1CCN(C(=O)CN2CCS(=O)(=O)CC2)[C@@H]1C 987513965 JXRJHOLAQZECET-CHWSQXEVSA-N 315.439 -0.518 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC(NC(=O)[C@H]3CCC(=O)N3)C2)c1 990485574 HEAAICHHAHDHOO-SNVBAGLBSA-N 301.306 -0.894 30 20 DBED C=CCn1cc(C(=O)N2CC(NC(=O)c3ccn(C)n3)C2)nn1 991734459 OEGWWGGWNLEUCL-UHFFFAOYSA-N 315.337 -0.548 30 20 DBED C=C(C)CN[C@H]1CN(C(=O)CN2CC(=O)NC2=O)CC1(C)C 996420574 XWOVBNPNPPLZJI-NSHDSACASA-N 308.382 -0.059 30 20 DBED C#CCN[C@@H]1CN(C(=O)CN2CC(=O)N(C)C2=O)CC1(C)C 996511778 LIPDSNGDUWGFQB-LLVKDONJSA-N 306.366 -0.660 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@H]1CN2C(=O)c1cnnn1C 1007293873 IOEZIBPKWYUQKD-GARJFASQSA-N 302.338 -0.210 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCN(CC(=O)N3CCC3)C2)nn1 1015812843 IMEUKSQEIPVTIM-LBPRGKRZSA-N 318.381 -0.500 30 20 DBED CC#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1COCCN1C(C)=O 1018292136 JAMLVDKSVBBQEF-XHSDSOJGSA-N 319.405 -0.068 30 20 DBED C=C(C)CN[C@H]1C[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C1 1022166317 SZXCHTUUPNPGNH-TXEJJXNPSA-N 306.366 -0.640 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCOC3)C[C@H]2O)c1 1023326870 CEXPQSKECQIZDB-CYZMBNFOSA-N 318.333 -0.776 30 20 DBED C#CCCN1CCC[C@H](CNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 1023623633 VRSXPLSIRRKXPL-NEPJUHHUSA-N 306.366 -0.564 30 20 DBED C#CCCN1CCCC[C@@H]1CNC(=O)[C@@H]1CC(=O)NC(=O)N1 1024686074 VGXBGCIJCVHDAC-NEPJUHHUSA-N 306.366 -0.422 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1[C@@H]2CN([C@@H](CC)C(N)=O)C[C@@H]21 1025814046 ISDCFNSKSCNZBL-AIEDFZFUSA-N 318.421 -0.606 30 20 DBED C#CCN1CCC2(CCN(C(=O)[C@H]3CN(C)C(=O)N3)CC2)C1 1035211849 ONZDDCGBLLSCNG-CYBMUJFWSA-N 304.394 -0.042 30 20 DBED CC[C@H](C(N)=O)N1CCO[C@@H](CNC(=O)c2c[nH]c(C#N)c2)C1 1035338732 QXMUDLSDFZKEHS-QWHCGFSZSA-N 319.365 -0.419 30 20 DBED C=CCN1CCO[C@@H](CNC(=O)[C@H]2CCc3nnnn3CC2)C1 1035513755 WQTOISOASUDLHL-STQMWFEESA-N 320.397 -0.371 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)[C@@H]2CCN(C(=O)CC)C2)C1 1035569214 DEEMMSUDBGAPOA-KGLIPLIRSA-N 307.394 -0.305 30 20 DBED C#CCCCC(=O)NC[C@@]1(O)CCN(C(=O)c2cn[nH]c2)C1 1039574465 SXCUGMYBCXXSPN-HNNXBMFYSA-N 304.350 -0.094 30 20 DBED C=CCO[C@@H](C)C(=O)NC[C@@]1(O)CCN(C(=O)c2cnco2)C1 1040161329 ACZCWWHBYGHCFA-NHYWBVRUSA-N 323.349 -0.041 30 20 DBED Cc1n[nH]c(C)c1C(=O)N1CC[C@@](O)(CNC(=O)[C@H](C)C#N)C1 1040758867 CEDBGVPYDSJMKJ-RFAUZJTJSA-N 319.365 -0.121 30 20 DBED CCN(C)CCC(=O)NC[C@@]1(O)CCN(C(=O)C#CC2CC2)C1 1040902409 RYUSGXNDJZPUQA-KRWDZBQOSA-N 321.421 -0.179 30 20 DBED C=CCN1CC[C@]2(CCN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)C1 1041366722 AHICJNWSBHUAHA-NHYWBVRUSA-N 306.366 -0.305 30 20 DBED N#CCN1CC[C@H]2CCN(C(=O)CC3CS(=O)(=O)C3)C[C@H]21 1042124108 ZCRJTGYKRHIPBU-QWHCGFSZSA-N 311.407 -0.133 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(O)(CNC(=O)c2ocnc2C)C1 1042364716 UAYUATVAKRLCBB-AWEZNQCLSA-N 323.349 -0.387 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)Cc2ccoc2)C1 1042738445 WKSVANSUKPDMQU-UHFFFAOYSA-N 320.345 -0.449 30 20 DBED N#Cc1cc(C(=O)N2CC(O)(CNC(=O)[C@@H]3CC3(F)F)C2)c[nH]1 1042910122 JHDWLMOCVJMYIT-JTQLQIEISA-N 324.287 -0.155 30 20 DBED CN(C)[C@H](C(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1)C1CC1 1043461059 AZBHQUVJEHTLHT-HNNXBMFYSA-N 319.405 -0.571 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)C[C@H]2CCC(=O)N2)C1 1043843807 FMJGVISEEOMOHQ-LLVKDONJSA-N 309.366 -0.689 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)c2cnn3cc[nH]c23)C1 1044311411 OMDJBXBWVGFXOI-VIFPVBQESA-N 316.321 -0.875 30 20 DBED N#Cc1c[nH]c(C(=O)N2CCC[C@H]2CN[C@H]2CCNC2=O)c1 1044983939 SMIKUTCHSXEPSO-RYUDHWBXSA-N 301.350 -0.031 30 20 DBED C#CCN1CC[C@@H](N2CCN(C(=O)C[C@@H]3CCC(=O)N3)CC2)C1 1046069100 AWIYFFRJCKJAQI-LSDHHAIUSA-N 318.421 -0.493 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)c2c(C)c[nH]c2CC(N)=O)C1 1047537280 CDJCOBXKVUKLEO-STQMWFEESA-N 320.393 -0.346 30 20 DBED C=CCCOCC(=O)N(C)[C@H]1CN(C(=O)c2cc[nH]n2)C[C@@H]1O 1049007251 CDRGDEQNNPRWQS-STQMWFEESA-N 322.365 -0.354 30 20 DBED CC[C@@H](C(=O)N(C)[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O)N(C)C 1049118785 DXGLVPRPCRJZOF-KKUMJFAQSA-N 321.421 -0.230 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)c2cncs2)C[C@@H]1O 1049388218 HDESVNGANSPSOD-GUBZILKMSA-N 308.363 -0.054 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)CCc2cn[nH]c2)C[C@@H]1O 1049401516 HFLJZUFPRJNADX-WXHSDQCUSA-N 319.365 -0.468 30 20 DBED C#CCCN1CCOC[C@@H]1CNC(=O)c1ccc(=O)n(C)c1 1050999911 DSIJQCFDWSPLCX-AWEZNQCLSA-N 303.362 -0.161 30 20 DBED C=CCCN1CCOC[C@H]1CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 1051118093 MTMUTYMLIKUADM-FRRDWIJNSA-N 311.382 -0.588 30 20 DBED Cn1nncc1C(=O)N1CC[C@@H](N2CCN(CC#N)CC2)C1 1052022191 JIDVVTLPBQZXLF-GFCCVEGCSA-N 303.370 -0.829 30 20 DBED CC#CCN1CCC[C@@H](NC(=O)CN2CCOCC2=O)CC1 1052447578 HZJWVJHSHPOXML-CQSZACIVSA-N 307.394 -0.161 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)[C@H]1CCCC(=O)N1C)CCO2 1053520783 KMWABDBRNANEAE-CQSZACIVSA-N 319.405 -0.066 30 20 DBED C#CCN1CC2(CC[C@H](CNC(=O)[C@@H]3COCCN3CC)O2)C1 1053620942 XKSADBGTLUJGCH-CABCVRRESA-N 321.421 -0.310 30 20 DBED N#CCN1CC[C@@]2(CCCN(C(=O)CN3C(=O)CCC3=O)C2)C1 1054238095 LOVTYRCXIZSVIY-INIZCTEOSA-N 318.377 -0.027 30 20 DBED C=CCCC(=O)N1CCC[C@@](CO)(NC(=O)CNC(N)=O)C1 1055745062 LNTKADXBSODVDB-CQSZACIVSA-N 312.370 -0.909 30 20 DBED N#Cc1nccc(N2CCN(C(=O)[C@H]3CCNC3=O)CC2)n1 1055973699 ANNNGCUAQRQDFS-JTQLQIEISA-N 300.322 -0.867 30 20 DBED N#Cc1ccc(N2C[C@H]3[C@H](NC(=O)Cn4ncnn4)[C@H]3C2)nc1 1056309811 NCFHROJVTYGJIW-YABSGUDNSA-N 310.321 -0.809 30 20 DBED CNC(=O)CC(=O)N1C[C@@H]2CCCN(C(=O)C#CC3CC3)[C@@H]2C1 1056660169 FIEHMRVYAIJYOT-UONOGXRCSA-N 317.389 -0.015 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)c1ncoc1C 1057128124 WXYIAVUMOURVSY-UHFFFAOYSA-N 311.338 -0.264 30 20 DBED C=CC(C)(C)C(=O)NCCN(CCO)C(=O)c1nccnc1N 1057233041 SEEDDFZTZGHCPV-UHFFFAOYSA-N 321.381 -0.178 30 20 DBED C=C[C@@](C)(O)CC(=O)N(CCO)CCNC(=O)c1cccn1C 1057450415 QGTMJROFKKJPFA-MRXNPFEDSA-N 323.393 -0.097 30 20 DBED CCCN1CCC[C@@H]1C(=O)N(CCO)CCNC(=O)[C@H](C)C#N 1057853510 RVDFDTAGTIVWKV-ZIAGYGMSSA-N 324.425 -0.042 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)c1cc(F)c[nH]1 1058124751 FJXBPFDRLQNVBE-UHFFFAOYSA-N 313.329 -0.093 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)Cc1cnoc1 1058482156 RZWXOWHRASDKDW-UHFFFAOYSA-N 307.350 -0.186 30 20 DBED C=CCCCC(=O)N(CCO)CCNC(=O)[C@H]1COCCO1 1058621746 PQWNKMKJXYCRRR-CYBMUJFWSA-N 314.382 -0.305 30 20 DBED Cc1cc(CC(=O)NCCN(CCO)C(=O)[C@H](C)C#N)n(C)n1 1058661030 NGAQMNPNWUOPJP-LLVKDONJSA-N 321.381 -0.632 30 20 DBED Cn1nncc1C(=O)N1[C@H]2CC[C@H]1CN(c1cncc(C#N)n1)C2 1058753533 ZAWFIYIUCFOQAA-RYUDHWBXSA-N 324.348 -0.030 30 20 DBED Cc1nc(C)c(C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N)[nH]1 1058863375 QYTNKTKGKAABKX-VIFPVBQESA-N 307.354 -0.263 30 20 DBED N#Cc1nccnc1N[C@H]1C[C@H](NC(=O)[C@@H]2CCC(=O)N2)C1 1059267726 HCJLVHCOVTTXCP-GUBZILKMSA-N 300.322 -0.314 30 20 DBED N#Cc1nc(=N[C@H]2C[C@@H](NC(=O)[C@@H]3CC[C@H]3C(N)=O)C2)cc[nH]1 1059784166 GUJRXGHKZWIYMX-LMLFDSFASA-N 314.349 -0.659 30 20 DBED C=CCOCC(=O)NC[C@@H]1COCCN1C(=O)[C@H]1CCOC1 1061421716 SSPLJKULIRPMJC-QWHCGFSZSA-N 312.366 -0.431 30 20 DBED C=CCOCC(=O)NC[C@@H]1COCCN1C(=O)C[C@@H](C)OC 1061422038 ZNXRLIQTCMFXHE-CHWSQXEVSA-N 314.382 -0.042 30 20 DBED C=CCOCC(=O)N1CCOC[C@@H]1CNC(=O)c1nonc1C 1061685849 NRSPXSMPQPNMKY-NSHDSACASA-N 324.337 -0.462 30 20 DBED C=C(C)CCC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1CCNC1=O 1061748438 MFQIWLGVYYEERD-QWHCGFSZSA-N 323.393 -0.178 30 20 DBED C#CCO[C@H](C)C(=O)N1CCOC[C@@H]1CNC(=O)c1cnon1 1061803950 DKFADNZISMLRGN-MNOVXSKESA-N 322.321 -0.935 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)C1CCN(C)CC1 1061847488 LHAVSPDWXQGVMP-TZMCWYRMSA-N 322.409 -0.169 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)CCn1cncn1 1061847523 SXLGOXMBMAXCOW-NEPJUHHUSA-N 320.353 -0.829 30 20 DBED C=CCO[C@@H](C)C(=O)NC1(CNC(=O)CNC(N)=O)CCC1 1062492384 OHCOTIDNQNRXHA-JTQLQIEISA-N 312.370 -0.599 30 20 DBED COCCOCC(=O)N1CCO[C@H](CNC(=O)C#CC2CC2)C1 1064984846 AGGHOQLBHMGSCI-CQSZACIVSA-N 324.377 -0.594 30 20 DBED C=C(C)C[C@H](C)C(=O)NC[C@H]1CN(C(=O)CC(N)=O)CCO1 1065000726 FMLNFFHYAPSQIS-RYUDHWBXSA-N 311.382 -0.192 30 20 DBED C[C@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1Nc1nccnc1C#N 1067149233 QXYRZSMENROZPI-ONGXEEELSA-N 313.325 -0.706 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)CCCN(C)C(=O)c1cn(C)nn1 1067330486 DOVKWXHJBIFFLN-LBPRGKRZSA-N 321.381 -0.226 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)Cn2cccn2)CCOCC1 1069985663 ZYMAXAAMYNMKFW-GFCCVEGCSA-N 319.365 -0.176 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2csnn2)C[C@@H]1n1ccnn1 1070246038 AUZULCIOWZRQIR-KOLCDFICSA-N 303.351 -0.582 30 20 DBED C=C(C)CN1CCNC(=O)CCN(C(=O)Cc2nc[nH]n2)CC1 1071014379 LRBQFOMDTLYYBM-UHFFFAOYSA-N 320.397 -0.426 30 20 DBED C=C(C)CCN1CCN([C@H]2CCCN(C(=O)C(N)=O)C2)C(=O)C1 1071272021 DJXOZHRXISOEFA-ZDUSSCGKSA-N 322.409 -0.427 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CN(C(=O)c2ccco2)C[C@@H]1C 1071489457 XBTFICHGRCWNBS-RYUDHWBXSA-N 317.345 -0.004 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](NC(=O)CSC)[C@H](C)C1 1071932667 LRPYJIKVQULZIN-GHMZBOCLSA-N 311.407 -0.548 30 20 DBED C[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@H]1NC(=O)C#CC1CC1 1072616398 IYLLTXJDOLTLHZ-ZWNOBZJWSA-N 314.345 -0.240 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1C 1072773649 UKBYZHMNHQDIJP-CHWSQXEVSA-N 321.381 -0.166 30 20 DBED C#CCOCCC(=O)N1CC[C@H](NC(=O)CNC(N)=O)C[C@H]1C 1074819367 SDTRKUMEGFVBAI-NEPJUHHUSA-N 324.381 -0.810 30 20 DBED CC(C)C#CC(=O)N[C@H]1CCN(C(=O)c2nnn(C)n2)[C@H](C)C1 1074974976 LKHRVIARSCCNLT-NEPJUHHUSA-N 318.381 -0.021 30 20 DBED C=CCOCC(=O)N[C@@H](C)CCNC(=O)[C@H]1COCCN1C 1076205930 SPUAYHYCUAWUGP-QWHCGFSZSA-N 313.398 -0.469 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)C[C@@H]2C(=O)Nc3ccccc32)C1 1078267032 PXVDGYVNFXZXRA-IACUBPJLSA-N 314.345 -0.203 30 20 DBED Cn1cc(C(=O)N[C@@H]2C[C@@H](NCC#N)C23CCC3)ncc1=O 1078685169 HUWUZVDZFHKMLY-VXGBXAGGSA-N 301.350 -0.066 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CCCN(C(=O)Cn2ncnn2)CC1 1079061894 LTQRASONUBDATF-RYUDHWBXSA-N 319.369 -0.328 30 20 DBED CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)C[C@@H]2CCC(=O)N2)C1 1080412587 BVRBEQPFACDFFV-MNOVXSKESA-N 306.366 -0.126 30 20 DBED CN(C)CCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)C#CC2CC2)C1 1081470813 GGDQDEWKFJARTC-HUUCEWRRSA-N 321.421 -0.323 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2c[nH]nc2C)C1 1081636460 AIKYQHMTOUHLSG-YPMHNXCESA-N 322.365 -0.530 30 20 DBED CC#CCN1C[C@@H](NC(=O)c2cc3n(n2)CCO3)[C@H](OC)C1 1081803482 KUHVWHUOIKCBST-CHWSQXEVSA-N 304.350 -0.272 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CCCCN1C(=O)Cn1ncnn1 1082093433 RXCWEYOMYQFHFJ-QWRGUYRKSA-N 305.342 -0.670 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2CN(CCCO)C[C@H]2OC)c1 1082118200 LOQSNVSKEIMQNF-HUUCEWRRSA-N 303.362 -0.126 30 20 DBED C#CCN1C[C@@H](NC(=O)Cn2ccc(C)cc2=O)[C@H](OC)C1 1082191095 YHNNCIVFAKODBH-ZIAGYGMSSA-N 303.362 -0.395 30 20 DBED Cc1cc(=O)c(C(=O)N2CCO[C@@H]3CN(CC#N)C[C@@H]32)cn1C 1083113354 WOXCUJGUFRKKQR-DZGCQCFKSA-N 316.361 -0.258 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(CC(=C)Cl)C[C@@H]1O 1083535585 ZCMLAGVKUKIWKI-RDBSUJKOSA-N 311.813 -0.002 30 20 DBED C[C@H](C(N)=O)N1CC[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)[C@@H]2C1 1084261788 YTJNSTOSNRMHIQ-IRUJWGPZSA-N 301.350 -0.094 30 20 DBED C#CCN[C@H]1C[C@H](CNC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 1086366161 PDNYXLNXFYMORZ-AVGNSLFASA-N 315.377 -0.120 30 20 DBED CCO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1CNCc1nc(O)n[nH]1 1087035812 NNNIDWYBRSGYEE-HBNTYKKESA-N 322.369 -0.377 30 20 DBED C[C@@H](C[C@H](C)NC(=O)Cc1nc[nH]n1)N=c1cc[nH]c(C#N)n1 1089393372 JNZKMFFEHOBASC-UWVGGRQHSA-N 314.353 -0.174 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@@H]2CCC(=O)N2)CC2(CCOCC2)C1 1089964882 QWHJSMBZJFZGKI-KBPBESRZSA-N 319.405 -0.115 30 20 DBED C#CCN1CC[C@H](NC(=O)c2ccc3nnc(O)n3c2)[C@@H](O)C1 1090640063 GEFBMDBXPGXZLJ-RYUDHWBXSA-N 315.333 -0.767 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2ccc3nncn3c2)[C@H](O)C1 1090646968 MUONCHQQSRHHJA-UONOGXRCSA-N 313.361 -0.082 30 20 DBED N#CCNC1CC(CNC(=O)c2cnn3c(=O)cc[nH]c23)C1 1091272568 SHROUTVPGDONAW-UHFFFAOYSA-N 300.322 -0.356 30 20 DBED C=CCN1C[C@@H]2CN(C(=O)Cn3c(O)nnc3O)C[C@]2(C)C1 1092232400 KXWRUXBVQGDRCW-YGRLFVJLSA-N 307.354 -0.344 30 20 DBED N#Cc1nccnc1NCCNC(=O)CNC(=O)c1ccco1 1093613476 JVTWJOAPWPOTIM-UHFFFAOYSA-N 314.305 -0.101 30 20 DBED CCc1nc(C#N)cc(NCCNC(=O)CCNC(N)=O)n1 1093623205 FMWLWXQLDGSRON-UHFFFAOYSA-N 305.342 -0.503 30 20 DBED N#Cc1c[nH]ccc1=NCCNC(=O)Cc1ccc(C(N)=O)nc1 1094229412 MUMPWZCCPOJNFY-UHFFFAOYSA-N 324.344 -0.360 30 20 DBED N#CCN1CCN(C(=O)[C@@H]2[C@H]3CCC[C@H]32)[C@@H]2CS(=O)(=O)C[C@@H]21 1094620317 WTRYJXASPMHBIN-MEBFFEOJSA-N 323.418 -0.134 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)c3ccns3)CC2=O)C1 1094743555 IFRYVYASLREOBS-JTQLQIEISA-N 304.375 -0.209 30 20 DBED Cc1ncccc1C(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1 1094776858 IBMCSGARKHIMTB-GFCCVEGCSA-N 313.361 -0.072 30 20 DBED C=CCCN1CC(N2C[C@H](NC(=O)[C@@H]3CCC(=O)N3)CC2=O)C1 1094808267 JAKKJQYIJDGFCI-YPMHNXCESA-N 320.393 -0.758 30 20 DBED CCC(=O)NCC(=O)N1CC[C@@H](Nc2cnc(C#N)cn2)C1 1095025390 SDSBNGBBZIFISH-SNVBAGLBSA-N 302.338 -0.113 30 20 DBED N#CCN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1nccnc1C(N)=O)C2 1095051049 SHMAFOLIYSPFEV-AXFHLTTASA-N 314.349 -0.318 30 20 DBED CC(C)(C(N)=O)C(=O)NC1CCN(c2cncc(C#N)n2)CC1 1095433298 JCXHRADQADPTQQ-UHFFFAOYSA-N 316.365 -0.055 30 20 DBED CNC(=O)NCC(=O)NC1CCN(c2ccc(C#N)nn2)CC1 1095449448 AMRMMLWISBSONJ-UHFFFAOYSA-N 317.353 -0.638 30 20 DBED COCCOCC(=O)N[C@H]1CCN(c2ccnc(C#N)n2)C1 1096341379 RDXDEIBTHGTRDI-NSHDSACASA-N 305.338 -0.294 30 20 DBED CC[C@@H](NC(C)=O)C(=O)N[C@@H]1CCN(c2cncc(C#N)n2)C1 1096485644 LFWAIJLWAIBIDY-DGCLKSJQSA-N 316.365 -0.042 30 20 DBED CNC(=O)NCC(=O)NC[C@H](Nc1cnc(C#N)cn1)C1CC1 1096837458 SIMZJANCWGVNJE-NSHDSACASA-N 317.353 -0.416 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@H](C)Nc1nccn2nnnc12 1097794074 JCEZPTXGUTURHL-ZANVPECISA-N 305.342 -0.237 30 20 DBED CNC(=O)CC(=O)N1CC[C@H](CNc2cncc(C#N)n2)C1 1098521782 LXXYVGMZDQVYNY-SNVBAGLBSA-N 302.338 -0.255 30 20 DBED CNC(=O)NCC(=O)N1CC[C@H](CNc2ccc(C#N)nn2)C1 1098578757 DPMKXKRQYIPVRB-SNVBAGLBSA-N 317.353 -0.462 30 20 DBED C#CCNCc1cn([C@@H]2CCN(C(=O)Cc3cc[nH]n3)C2)nn1 1098641345 RXPSZGGWQIZFOD-CQSZACIVSA-N 313.365 -0.260 30 20 DBED C=CCNCc1cn([C@H]2CCN(C(=O)Cc3nc[nH]n3)C2)nn1 1098761384 DTYLDSODFROZEV-LBPRGKRZSA-N 316.369 -0.312 30 20 DBED Cc1[nH]ccc1C(=O)N[C@H]1CCN(CC(=O)NCC#N)C[C@H]1O 1099760331 HMRFXYFWGXZAMO-QWHCGFSZSA-N 319.365 -0.872 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)c2cn(C)cn2)[C@@H](O)C1 1099769624 VHMYXYBHIIEUAB-OCCSQVGLSA-N 308.382 -0.212 30 20 DBED N#CCNC(=O)CN1CC[C@H](NC(=O)C2=CCCC2)[C@H](O)C1 1099780720 LXQVJBJODARDEV-QWHCGFSZSA-N 306.366 -0.712 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)c2cnn(CC)n2)[C@@H](O)C1 1099801853 LJCORWOWZLYDRV-JSGCOSHPSA-N 323.397 -0.334 30 20 DBED C=CC(C)(C)CC(=O)N[C@@H]1CCN(Cc2nnn(C)n2)C[C@@H]1O 1099851017 TUIJZRANMPSENV-NEPJUHHUSA-N 322.413 -0.136 30 20 DBED N#Cc1ccc(N2CCC[C@@H]2CCCNC(=O)C(N)=O)nn1 1099875699 JYLBKHYZWWZVBN-NSHDSACASA-N 302.338 -0.301 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CCC(=O)NCCC)[C@H](O)C1 1100078055 CKJYZVJXGWQGFG-ZIAGYGMSSA-N 309.410 -0.133 30 20 DBED N#CCN1CC[C@H](NC(=O)CNC(=O)c2ccco2)[C@@H](O)C1 1100096609 KCPIKBZHXJNZOJ-QWRGUYRKSA-N 306.322 -0.916 30 20 DBED CO[C@H](C(=O)NCCN(C)c1ccnc(C#N)n1)[C@@H]1CCOC1 1100250569 IMXROGJVHUKQSV-RISCZKNCSA-N 319.365 -0.048 30 20 DBED CO[C@H](C(=O)NCCN(C)c1cnc(C#N)cn1)[C@@H]1CCOC1 1100251046 ZFLFWFZOLPWWIN-RISCZKNCSA-N 319.365 -0.048 30 20 DBED CCc1nc(C#N)cc(N2CC[C@@H](CNC(=O)CC(N)=O)C2)n1 1100948088 IHKYIBPVVGJXFU-JTQLQIEISA-N 316.365 -0.271 30 20 DBED C#CCNC(=O)[C@H](C)NC1CC(CNC(=O)c2nonc2C)C1 1101069746 TYYJWDPNSFPGRE-UNXYVOJBSA-N 319.365 -0.386 30 20 DBED Cn1ncc(C(=O)NCCN(c2nccnc2C#N)C2CC2)n1 1101362484 MYXFACAFYWJUGP-UHFFFAOYSA-N 312.337 -0.124 30 20 DBED CNC(=O)CCCC(=O)N(C)CCN=c1cc[nH]c(C#N)n1 1101551848 HYRBUKVZWPOMTL-UHFFFAOYSA-N 304.354 -0.443 30 20 DBED CCS(=O)(=O)CC(=O)N(C)CCNc1nccnc1C#N 1101647110 KYVWLXUYAOBACN-UHFFFAOYSA-N 311.367 -0.347 30 20 DBED CN(CCNc1nccnc1C#N)C(=O)c1cccn2nnnc12 1101789527 GMEHYKQVZLUQEJ-UHFFFAOYSA-N 323.320 -0.030 30 20 DBED CCN(C)CCC(=O)NC[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1102495628 FGTJXUPUFGPWJN-ZIAGYGMSSA-N 323.441 -0.348 30 20 DBED CC[C@@H](CNC(=O)[C@@H]1COC(=O)N1)Nc1cnc(C#N)cn1 1103053205 PDBUTKPNPYAGBA-WPRPVWTQSA-N 304.310 -0.237 30 20 DBED CC[C@H](CNC(=O)[C@H]1CNC(=O)N1)Nc1ccc(C#N)cn1 1103277555 KSXXLAXADVGFJZ-GHMZBOCLSA-N 302.338 -0.059 30 20 DBED C[C@@H](CNC(=O)CCn1cnnn1)CNc1ccc(C#N)nn1 1104047425 HOUCYMITKAXLJK-SNVBAGLBSA-N 315.341 -0.411 30 20 DBED C[C@H](CNc1cncc(C#N)n1)N(C)C(=O)[C@H]1CNC(=O)N1 1104784335 DZSHHWWCSBXNET-PSASIEDQSA-N 303.326 -0.712 30 20 DBED CN(C)[C@H](C(=O)N1CC(n2cc(CNCC#N)nn2)C1)C1CC1 1105259671 HXDHVYFFEUKSTK-AWEZNQCLSA-N 317.397 -0.385 30 20 DBED C#CCNCc1cn(C2CN(C(=O)[C@H]3CCO[C@@H]3C)C2)nn1 1105349413 IXADGPCAHKZUAO-RISCZKNCSA-N 303.366 -0.191 30 20 DBED Cc1c(C(=O)N(C)CCN(C)c2cnc(C#N)cn2)nnn1C 1105355656 VWYUWRILSQTDHQ-UHFFFAOYSA-N 314.353 -0.006 30 20 DBED CN(CCN(C)c1ccnc(C#N)n1)C(=O)c1cnc(O)n1C 1105534875 GBDJIPJWKGTPGK-UHFFFAOYSA-N 315.337 -0.004 30 20 DBED CC(=O)N[C@H](C)C(=O)NC[C@H](O)CNc1ccc(C#N)nc1 1105734858 FRMVMOUHYXPOMR-NOZJJQNGSA-N 305.338 -0.633 30 20 DBED Cc1ccnc(C(=O)NC[C@@H](O)CNc2cncc(C#N)n2)n1 1105804654 XCDQHQFHOKNXTL-NSHDSACASA-N 313.321 -0.351 30 20 DBED CN1CCOC[C@@H]1C(=O)NC[C@H](O)CNc1ccc(C#N)nc1 1105829094 PABQHSRGXJIEMQ-ZIAGYGMSSA-N 319.365 -0.827 30 20 DBED Cn1nncc1C(=O)NC[C@@H](O)CNc1ncc(C#N)cc1F 1105832987 INHCEGFPVLUPCM-VIFPVBQESA-N 319.300 -0.576 30 20 DBED N#Cc1nc(=NC[C@@H](O)CNC(=O)[C@H]2CCC2(F)F)cc[nH]1 1106009910 JMEHFUTXVITSSN-RKDXNWHRSA-N 311.292 -0.296 30 20 DBED C[C@@H](CCNc1nccnc1C#N)NC(=O)C1CS(=O)(=O)C1 1106459816 ZRQHXFVABSVFNQ-VIFPVBQESA-N 323.378 -0.300 30 20 DBED C#CCNC[C@@H]1CN(C(=O)C(C)(C)NS(C)(=O)=O)C[C@H]1C 1106743331 HHQWNQJHQBOGBW-VXGBXAGGSA-N 315.439 -0.369 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)C[C@H](C)NC(N)=O 1106857030 LQBGMLCQOWRGTI-JTQLQIEISA-N 319.369 -0.523 30 20 DBED Cn1ccc(CC(=O)NCc2cn(C3CN(CC#N)C3)nn2)n1 1107168621 XKRYDUVVIRKDJQ-UHFFFAOYSA-N 314.353 -0.749 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)CCN2CCOCC2)C1 1108279925 KGGIYLXXJYBVOA-INIZCTEOSA-N 309.410 -0.451 30 20 DBED C#CCCCC(=O)N1CCN(CC#C)[C@H]2CS(=O)(=O)C[C@H]21 1108471767 SRMXRNYCBMJKQQ-UONOGXRCSA-N 308.403 -0.267 30 20 DBED C#CCCN1CC(N2C[C@@H](NC(=O)COCCC)CC2=O)C1 1108521500 DLDOWJNGGSJHDF-ZDUSSCGKSA-N 307.394 -0.162 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)CCN(C)CC)CC2=O)C1 1108583115 JEFQQGJJTSGDFR-ZDUSSCGKSA-N 308.426 -0.085 30 20 DBED C[C@@H](CNc1ccc(C#N)nn1)NC(=O)[C@@H]1CCS(=O)(=O)C1 1108604529 JUZPQHGMLYNAHM-VHSXEESVSA-N 323.378 -0.300 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H](C)CN=c1cc[nH]c(C#N)n1 1108758945 SRNYMVFEXHSBCN-STQMWFEESA-N 312.377 -0.216 30 20 DBED C[C@@H](CN(C)c1ccc(C#N)nn1)NC(=O)C(=O)NCC1CC1 1109060312 ADWTYSFVYPAPAP-JTQLQIEISA-N 316.365 -0.185 30 20 DBED N#Cc1c[nH]ccc1=NC1(CNC(=O)[C@H]2CC[C@@H]2C(N)=O)CC1 1110299624 CICYBKYXNGTSRQ-RYUDHWBXSA-N 313.361 -0.053 30 20 DBED CNC(=O)CC(=O)N1CC[C@H](N=c2cc[nH]c(C#N)n2)C[C@H]1C 1110512359 IAACOZLQURNNRQ-MNOVXSKESA-N 316.365 -0.302 30 20 DBED Cc1cc(C#N)nc(N2CC[C@@](O)(CNC(=O)[C@H](C)C#N)C2)n1 1111042365 TVEZSERHYDIVGX-MEBBXXQBSA-N 314.349 -0.126 30 20 DBED C[C@H](NC(N)=O)C(=O)N(C)CCCN(C)c1ccc(C#N)nn1 1112067700 RLRRZIHOFAAGAK-JTQLQIEISA-N 319.369 -0.310 30 20 DBED C=CCNC(=O)NC(=O)CN1CCN(C(=O)[C@@H]2CCOC2)CC1 1112662753 DARRMSSEMPHOQK-GFCCVEGCSA-N 324.381 -0.821 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)C[C@](C)(O)C2CC2)CC1 1112770042 ANOWJDPIIXJFMZ-GUYCJALGSA-N 321.421 -0.180 30 20 DBED CC(=O)NCC(=O)NC1CC(CN=c2cc[nH]c(C#N)n2)C1 1112812667 PRZDHWKBHLMTCQ-UHFFFAOYSA-N 302.338 -0.787 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)Cc2nnc(C)o2)CC1 1112818659 OUSOYAGTTJBKAC-NSHDSACASA-N 321.381 -0.245 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)CCc2cnn(C)n2)CC1 1113348708 AGNNTIAEQAAEDS-UHFFFAOYSA-N 320.397 -0.806 30 20 DBED Cc1n[nH]c(C)c1C(=O)N1CCN(CC(=O)NCC#N)CC1 1113435753 ZOFWWFXNNSKTFR-UHFFFAOYSA-N 304.354 -0.576 30 20 DBED COCC#CCN1CCN(C(=O)Cn2nc(C)ccc2=O)CC1 1113566553 GAUVLAMCCMHMRG-UHFFFAOYSA-N 318.377 -0.654 30 20 DBED CC(=O)N(C)CCCC(=O)N1CCN(CC(=O)NCC#N)CC1 1113589996 NYFZILLTIHZJTP-UHFFFAOYSA-N 323.397 -0.971 30 20 DBED N#CCNC(=O)CN1C[C@@H]2C(NC(=O)Cc3ccsc3)[C@H]2C1 1113800777 HTTCAKSWTDFFNL-RYUDHWBXSA-N 318.402 -0.023 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)c3cncs3)[C@H]2C1 1113945083 OZEUSFYULBKJBA-MEWQQHAOSA-N 318.402 -0.059 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)c3cocn3)[C@H]2C1 1114028634 SFBISBKGJLGEOY-MEWQQHAOSA-N 302.334 -0.528 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)CC[C@@H](C)OC)[C@@H]2C1 1114161887 NQIRTGVIPFNUEG-JHJVBQTASA-N 307.394 -0.403 30 20 DBED CC(C)(C)C#CC(=O)NC1[C@H]2CN(CC(=O)NC(N)=O)C[C@H]12 1114256104 UANPTRHJRFVJBN-UWVGGRQHSA-N 306.366 -0.723 30 20 DBED N#CCNC(=O)CN1C[C@@H]2C(NC(=O)Cc3ccccc3)[C@H]2C1 1114468139 BQPYIAYNNSNQTP-KBPBESRZSA-N 312.373 -0.085 30 20 DBED C#CCCCCCC(=O)NC1[C@@H]2CN(CC(=O)NC(N)=O)C[C@@H]12 1114689236 GIVXCHOZNCZUTO-VXGBXAGGSA-N 320.393 -0.189 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)c3n[nH]cc3F)[C@@H]2C1 1114787040 KQZKUFDEPLCTKK-IVZWLZJFSA-N 319.340 -0.653 30 20 DBED C#Cc1cncc(C(=O)NC2[C@H]3CN(C[C@H](O)COC)C[C@H]23)c1 1114807743 DZTCSWKCAWWUMK-KKUMJFAQSA-N 315.373 -0.270 30 20 DBED C#CCN1C[C@H]2[C@H](NC(=O)[C@@H](NC(=O)COC)C(C)C)[C@H]2C1 1114939053 AYTFSNVUFSCDSI-MYZSUADSSA-N 307.394 -0.547 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)CN(CC)CC)[C@H]2C1 1115000624 JDZQZEMJNPWFIC-TTZDDIAXSA-N 320.437 -0.488 30 20 DBED C=CCOCCN1C[C@@H]2C(NC(=O)CCn3cnnn3)[C@H]2C1 1115018606 VHEMNGZWHNPUQE-RYUDHWBXSA-N 306.370 -0.688 30 20 DBED C=CCO[C@H](C)C(=O)N[C@H]1[C@@H]2CN(CCn3cncn3)C[C@@H]21 1115331906 GIRJSPLTRSMALO-MQYQWHSLSA-N 305.382 -0.084 30 20 DBED C[C@@H](CN(C)C(=O)[C@H]1COC(=O)N1)Nc1cncc(C#N)n1 1115702720 LAXJRCALLAANMK-WCBMZHEXSA-N 304.310 -0.285 30 20 DBED COC(=O)CCCNC(=O)CCN/C(O)=C1\N=CC=CC1=O 1116110669 IZCIKBMWWCMKIF-BUHFOSPRSA-N 309.322 -0.028 30 20 DBED N#CCn1cc(NC(=O)C(=O)NCC(=O)NC2CCCC2)cn1 1116338340 YYQFJJUMAZUFHF-UHFFFAOYSA-N 318.337 -0.480 30 20 DBED C#CCCCNC(=O)C(=O)N1CCC([C@@H](O)C(=O)OC)CC1 1117382984 XANFYTSLLRASCG-GFCCVEGCSA-N 310.350 -0.712 30 20 DBED C#CCCCNC(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 1118686660 TYELCTOYWDBQJN-AWEZNQCLSA-N 307.394 -0.115 30 20 DBED C#Cc1ccc(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)OC)cn1 1120716083 HYOBPPXBMQVIAB-GFCCVEGCSA-N 322.342 -0.525 30 20 DBED N#Cc1cnc(N[C@H](CO)CNC(=O)C[C@H]2COC(=O)C2)cn1 1121304791 ZAMVDMXNTZJGRN-KOLCDFICSA-N 319.321 -0.810 30 20 DBED Cc1[nH]nc(C(=O)NC[C@@H](CO)Nc2nccnc2C#N)c1O 1121455266 ORJCJHJMZQBFOR-QMMMGPOBSA-N 317.309 -0.712 30 20 DBED Cc1ccnc(C(=O)NC[C@@H](CO)Nc2cncc(C#N)n2)n1 1121505946 OQZNPMSKAXZESO-NSHDSACASA-N 313.321 -0.351 30 20 DBED C[C@@]1(C(=O)NC[C@H](CO)N=c2cc[nH]cc2C#N)CCOC1 1121913926 HZLIOSBERZCLIB-IUODEOHRSA-N 304.350 -0.309 30 20 DBED CN(C)C1(C(=O)NC[C@H](CO)Nc2cnc(C#N)cn2)CCC1 1122190473 QEAYUBGHRBFZEK-GFCCVEGCSA-N 318.381 -0.278 30 20 DBED N#Cc1cncc(N[C@H](CO)CNC(=O)CCc2ccon2)n1 1122234485 DHFATPXWYHJNKA-LBPRGKRZSA-N 316.321 -0.142 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)c2n[nH]cc2F)nn1 1122493871 JNUUTZPEXFTLAC-MRVPVSSYSA-N 305.273 -0.587 30 20 DBED C=CCCC(=O)NCCNC[C@H]1CCN(S(C)(=O)=O)C1 1124640864 RJLDFRQEHNQMEV-GFCCVEGCSA-N 303.428 -0.060 30 20 DBED CN(C[C@@H](O)CN(C)c1nccnc1C#N)C(=O)c1cc[nH]n1 1125017637 DWLLEVOWRDYOHF-JTQLQIEISA-N 315.337 -0.359 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)[C@@H]2CCN(C)C(=O)C2)C1=O 1130364602 RFBBHHHIWGXIEA-OLZOCXBDSA-N 322.409 -0.653 30 20 DBED C=CCN1C[C@H]2C[C@@H]3CN(C(=O)CN(C)C(C)=O)C[C@@]3(C1)O2 1131194058 JYTXOPCNTCXIGT-IIAWOOMASA-N 307.394 -0.048 30 20 DBED C[C@H]1CCN(C(=O)CN2CCOCC2=O)C[C@@H]1CNCC#N 1132902897 YELKYUQDPAUHDJ-STQMWFEESA-N 308.382 -0.557 30 20 DBED C[C@@H](C[C@H](C)NC(=O)CSCC#N)NCC(=O)NC(N)=O 1133735147 BFLDYXTYXSKLKI-IUCAKERBSA-N 315.399 -0.689 30 20 DBED C[C@@H](C[C@@H](C)NCC(=O)NCC#N)NC(=O)COCC1CC1 1133779096 KOSNKPLBEPMXMH-NEPJUHHUSA-N 310.398 -0.074 30 20 DBED C[C@@H](C[C@H](C)NC(=O)C1=CCOCC1)NCC(=O)NCC#N 1134159719 DBDFRPSTBPSWED-RYUDHWBXSA-N 308.382 -0.154 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)CCc1ncccn1 1135559223 HOEMPSHHCJRBLN-LBPRGKRZSA-N 303.366 -0.747 30 20 DBED C#CCN[C@H](C)C[C@@H](C)NC(=O)c1cc(=O)n2[nH]cnc2n1 1135923489 LDDPOOXQCQTRQG-NXEZZACHSA-N 302.338 -0.463 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CCc2nc[nH]c2C1 1146993993 HSUALEITRDMJPD-NWDGAFQWSA-N 317.393 -0.642 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)[C@H]1CCCOC1)C2 1147200270 DEDLFDBCNMNFEK-AWEZNQCLSA-N 319.405 -0.303 30 20 DBED C=C(Cl)CNCCNC(=O)CN1CCS(=O)(=O)CC1 1150997288 QKTFIVDNEOWGFE-UHFFFAOYSA-N 309.819 -0.825 30 20 DBED C=CCOCCCC(=O)NCCCN[C@@H](C)C(=O)NC(N)=O 1156165763 MFKQDPVHZFUIHB-NSHDSACASA-N 314.386 -0.352 30 20 DBED C#CCOCCC(=O)NCCCNCCNS(=O)(=O)CC 1157846162 NEVOJCLLRLJEBK-UHFFFAOYSA-N 319.427 -0.939 30 20 DBED C=CCN1CC=C(CCNC(=O)CN2CC(=O)NC2=O)CC1 1161485312 GLAOLKDHJFANDI-UHFFFAOYSA-N 306.366 -0.137 30 20 DBED COCC#CCNCC1(CCNC(=O)[C@H]2CCC(=O)N2)CC1 1163804252 MKSGLSOBLYGAHB-CYBMUJFWSA-N 307.394 -0.209 30 20 DBED N#CCNCC1(CCNC(=O)c2cc(=O)n3[nH]cnc3n2)CC1 1167728916 FPIXVDQHJWILBA-UHFFFAOYSA-N 315.337 -0.569 30 20 DBED C=CCn1cc(C(=O)NCCCN[C@@H]2CCCN(C)C2=O)nn1 1167838551 GRONPKWQSAOHNJ-GFCCVEGCSA-N 320.397 -0.206 30 20 DBED CC(C)Cn1cc(C(=O)NCCCNCC(=O)NCC#N)cn1 1169269712 YYYZLAAERLQYRO-UHFFFAOYSA-N 320.397 -0.112 30 20 DBED C#CCOCCC(=O)N1CC[C@H]2OCCN(CCCO)[C@@H]2C1 1177011350 BIUKIVPKPCIETJ-HUUCEWRRSA-N 310.394 -0.290 30 20 DBED C[C@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)CC1=CCOCC1 1179481099 AVNZSBTYOIVALL-JSGCOSHPSA-N 320.393 -0.058 30 20 DBED CC#CCN[C@H]1CCN(C(=O)[C@@H]2CN(C(C)=O)CCO2)[C@H]1C 1180037212 GYPKGOCOJFUZBN-QEJZJMRPSA-N 307.394 -0.164 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2cccc(O)n2)C1 1181834061 VPYXOIKRWZHJSC-LLVKDONJSA-N 302.334 -0.659 30 20 DBED C=CCNC(=O)[C@@H](C)N(C)[C@H]1CCN(C(=O)c2ncn(C)n2)C1 1189983107 FGNZHBFBHNMURS-NEPJUHHUSA-N 320.397 -0.348 30 20 DBED C#CCN1C[C@@H]2CCN(C(=O)CCC(=O)N3CCOCC3)[C@@H]2C1 1190071992 DOFSKUYMOGZZGA-LSDHHAIUSA-N 319.405 -0.209 30 20 DBED N#CCNC(=O)CN1C[C@@H]2CCN(C(=O)Cc3ccc[nH]3)[C@@H]2C1 1190262421 AKRZCEZURXSBKY-GXTWGEPZSA-N 315.377 -0.270 30 20 DBED C=CCCC(=O)N[C@@H]1CN(C[C@H]2CCS(=O)(=O)C2)C[C@H]1O 1191724427 FBNNDXAUEIBASF-JHJVBQTASA-N 316.423 -0.451 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)COc2cccnc2)C1 1196961234 MLBDHQAXDGYQOH-HUUCEWRRSA-N 319.361 -0.729 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)COC2CCN(C)CC2)C1 1197320021 SXBOWOIDHAISHI-HUUCEWRRSA-N 311.426 -0.165 30 20 DBED C#CCN1CCCN(C(=O)[C@@H](NS(C)(=O)=O)C(C)C)CC1 1197379105 HSMOBALOLVKTQL-ZDUSSCGKSA-N 315.439 -0.272 30 20 DBED N#CCNC[C@H]1CN(C(=O)CN2CCCNC2=O)CCCO1 1200879602 AQUWEPAXMZOENB-LBPRGKRZSA-N 309.370 -0.868 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)c2cn(C)c(O)n2)CC1 1202322683 HXDMKIQMTAYONC-UHFFFAOYSA-N 319.365 -0.931 30 20 DBED COCC#CCNCC1CCN(C(=O)[C@@H]2CC[C@H]2C(N)=O)CC1 1205879256 RZMCRNQIBMYPFJ-HUUCEWRRSA-N 321.421 -0.024 30 20 DBED C=C(C)CN(CC)C(=O)CN[C@@H]1CCCN(C(=O)CC(N)=O)C1 1207725256 LOCVPYCVRBAOMI-CYBMUJFWSA-N 324.425 -0.133 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)C[C@H]2CCOC2)C1 1207729079 QVMOVMDGAAAQKT-ZIAGYGMSSA-N 307.394 -0.257 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)c2cc(=O)n(C)o2)C1 1207897621 DGXPHKXVHWBKQL-LLVKDONJSA-N 322.365 -0.525 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@H]1CCCN(C(=O)c2[nH]nnc2C)C1 1208908877 BMHDMVFMIZDNEY-NEPJUHHUSA-N 320.397 -0.002 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](NCC(=O)NCC#N)C1 1209708828 RWKOQLKETKODJC-MJBXVCDLSA-N 320.393 -0.202 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)c2cocn2)[C@H](OC)C1 1212017204 AZLPUUGBPRNDCG-DMDPSCGWSA-N 322.365 -0.206 30 20 DBED C=CCCCN1C[C@@H](NC(=O)CN2C(=O)CNC2=O)[C@H](OC)C1 1213823457 ZQWNMQPYQUJOBW-VXGBXAGGSA-N 324.381 -0.680 30 20 DBED CNC(=O)NC(C)(C)C(=O)N1C[C@@H](NCC#CCOC)[C@H](C)C1 1216834396 PKCMBRROYMWDNF-CHWSQXEVSA-N 324.425 -0.220 30 20 DBED C#CCNC(=O)CC(=O)N1CCO[C@@H]2CN(C[C@@H](C)OC)C[C@@H]21 1217684447 NVQSVWDOKKISTG-HZSPNIEDSA-N 323.393 -0.928 30 20 DBED C=C(C)CN(CC)C(=O)CN1C[C@H](O)[C@H](NC(=O)C2CC2)C1 1219078991 MOVHTIHLASPJGJ-KGLIPLIRSA-N 309.410 -0.018 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(CCc2ccnn2C)C[C@@H]1O 1219609325 MBLBCOMODIDWNC-CABCVRRESA-N 320.393 -0.836 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 1220032586 YXKSZIUAMAHHLU-ARKGTOAJSA-N 322.405 -0.387 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)N[C@@H]1CN(CC(=C)C)C[C@@H]1O 1221089936 VAGDKFDUBHYWJN-OLZOCXBDSA-N 324.425 -0.012 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](NC(=O)[C@H](C)CS(C)(=O)=O)C1 1221102278 OSNQZHNSXASVEL-UPJWGTAASA-N 318.439 -0.205 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3cncn3C)[C@@H]2C1 1221672736 PYXUKNDCIFTPRI-TZMCWYRMSA-N 315.377 -0.684 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)CCN(C)C)[C@@H]2C1 1221789293 OBQDMDCLSBDGDO-ZIAGYGMSSA-N 306.410 -0.780 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1ncn(C)n1 1226011878 VIKMGMCJIQCJBW-VXGBXAGGSA-N 320.397 -0.252 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC(NC(=O)[C@H]2CCOC2)CC1 1226395355 UXJPPFKGEZMCQJ-STQMWFEESA-N 307.394 -0.259 30 20 DBED C#Cc1ccc(C(=O)N2CCC[C@H](CNS(N)(=O)=O)C2)nc1 1322014289 YYWBIFLDZINHMS-GFCCVEGCSA-N 322.390 -0.292 30 20 DBED CN(C)C[C@H](O)CNC(=O)C(=O)Nc1cccc(OCC#N)c1 1322989870 GEYXYYMHANMOSV-GFCCVEGCSA-N 320.349 -0.434 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CC[S@](=O)[C@@H](C)[C@H]1C 1323589020 XEUODQBTFJJSRM-XFQCAGDASA-N 302.396 -0.329 30 20 DBED CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)NCC(=O)NCC#N)[C@H]2C1 1324026109 YJCZEDBBXAWWFP-AVGNSLFASA-N 321.381 -0.428 30 20 DBED CO[C@H](C)c1noc(CN(CC#N)S(=O)(=O)N(C)C)n1 1324147455 MOTZLBBYWIWTAY-MRVPVSSYSA-N 303.344 -0.091 30 20 DBED C=C[C@H]1CCCCN1C(=O)C(=O)NCC(=O)N1CCOCC1 1324522975 UWXQJVJOVCWXJF-LBPRGKRZSA-N 309.366 -0.472 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC2CCOCC2)C1=O 1325611715 HDSWTOOZXSCHNE-GFCCVEGCSA-N 309.366 -0.473 30 20 DBED C=CCn1cc(CNC(=O)C(=O)NCC2(CC#N)CC2)nn1 1325941166 XKXYXAVSTHJAFA-UHFFFAOYSA-N 302.338 -0.110 30 20 DBED CS(=O)(=O)CCCCNC(=O)C(=O)N1CC[C@@](F)(C#N)C1 1325986899 REDKUWIQGJHJFK-GFCCVEGCSA-N 319.358 -0.608 30 20 DBED CCCN(C(=O)C(=O)N1CCO[C@@H](C#N)C1)[C@@H]1CCN(C)C1 1326264517 BXZUBXSALNRGFE-OLZOCXBDSA-N 308.382 -0.320 30 20 DBED COC(=O)c1nsc(NC(=O)[C@H](C)n2cnc(C#N)n2)n1 1326445810 GBYXTHHCAXIUOH-YFKPBYRVSA-N 307.295 -0.012 30 20 DBED C=C(CO)C(=O)NCc1ccc(OC)c(S(N)(=O)=O)c1 1327718946 JOSKGWLPOXACSB-UHFFFAOYSA-N 300.336 -0.493 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)NCc1ncoc1C 1329799123 LTIBULIBZJJXNO-UHFFFAOYSA-N 315.351 -0.684 30 20 DBED Cc1cc(NC(=O)C(=O)NCCNC(=O)C2CC2)ncc1C#N 1332893883 PWVPCQDGMSNBNE-UHFFFAOYSA-N 315.333 -0.157 30 20 DBED C#CCN1CCC[C@H](NCC2(O)CCS(=O)(=O)CC2)C1 1334805104 DMSUUABXRZWVHJ-ZDUSSCGKSA-N 300.424 -0.387 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N2CCc3ncncc3C2)CCO1 1335130036 JELISYKURASVJS-LLVKDONJSA-N 301.306 -0.888 30 20 DBED N#CCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)Cc1ccccc1F 1335771896 IKYVKXTVKNHARJ-AAEUAGOBSA-N 305.309 -0.030 30 20 DBED CCCNC(=O)[C@H](C)NC(=O)C(=O)Nc1cccc(C#N)n1 1336942652 OLGVYTDERHDNMN-VIFPVBQESA-N 303.322 -0.077 30 20 DBED C=CCn1c(C[C@@H](C)O)nnc1N(C)CC(=O)N1CCOCC1 1340325602 AQJGODWSNXRMFB-GFCCVEGCSA-N 323.397 -0.318 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)NC[C@H]1CCCN(C(C)=O)C1 1342069247 HBBVFEGDKSAELW-CHWSQXEVSA-N 311.382 -0.322 30 20 DBED C[C@]1(C#N)CCCN(C(=O)C(=O)NCCN2C(=O)CCC2=O)C1 1342152361 YHUBNYWMUNDWPI-OAHLLOKOSA-N 320.349 -0.596 30 20 DBED C=C(C)Cn1c(C[C@@H](C)O)nnc1N1CCN2C(=O)NC[C@@H]2C1 1342784413 QOOUITGDKDVDNX-VXGBXAGGSA-N 320.397 -0.009 30 20 DBED CC(C)(C)N1CC[C@H](NC(=O)C(=O)N2CCO[C@H](C#N)C2)C1=O 1349271893 MKUUHEVRRPUYEY-MNOVXSKESA-N 322.365 -0.747 30 20 DBED C=CCCOCC(=O)N[C@H]1CCN(c2cc(=O)n(C)c(O)n2)C1 1350785782 HSCXKRIFSXLUGT-NSHDSACASA-N 322.365 -0.227 30 20 DBED C[C@@H](C(=O)N[C@@H]1CCc2c(nnn2C)C1)n1cnc(C#N)n1 1361883691 IRNYEOJXJOTFJN-DTWKUNHWSA-N 300.326 -0.487 30 20 DBED N#Cc1cnn(-c2ccc(C(=O)N[C@@H]3COC[C@H]3O)cc2)c1N 1362566771 KZRISDAMNCLSOK-CHWSQXEVSA-N 313.317 -0.184 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCN(C)C(=O)[C@@H]1CCS(=O)(=O)C1 1376336309 CHFXLDRCZAXJJB-WDEREUQCSA-N 315.395 -0.502 30 20 DBED C[C@H](CN(C)Cc1nc(O)n[nH]1)NC(=O)c1cc(C#N)c[nH]1 1379650030 LROGIIKVRIWFTB-MRVPVSSYSA-N 303.326 -0.040 30 20 DBED CCN(CCNC(=O)c1cnnn1C)C(=O)c1ccc(C#N)[nH]1 1388247124 SIXDJQSUFGTSLP-UHFFFAOYSA-N 315.337 -0.093 30 20 DBED C[C@@H](C#N)C(=O)NC1CN(C(=O)c2cc(C(N)=O)ccn2)C1 1389401448 IWRRRLJVSXRIEU-QMMMGPOBSA-N 301.306 -0.719 30 20 DBED Cc1nonc1CNCC1(O)CCN(C(=O)[C@H](C)C#N)CC1 1408142214 HGDLWXKGIUJJEO-SNVBAGLBSA-N 307.354 -0.019 30 20 DBED CSc1nc(O)cc(CNc2[nH]c(=O)n(C)c(=O)c2C#N)n1 1413895020 USTRAQGDMWNIGV-UHFFFAOYSA-N 320.334 -0.225 30 20 DBED C[C@H](C#N)C(=O)NCCN(C)C(=O)C1(S(C)(=O)=O)CCC1 1415598877 OUPTZKPUXMYRPO-SNVBAGLBSA-N 315.395 -0.312 30 20 DBED C=C(Cl)CN1CC(CNC(=O)Cn2ccc(O)nc2=O)C1 1421135152 FVZPSAKSEZESRK-UHFFFAOYSA-N 312.757 -0.251 30 20 DBED COCC(=O)N(C)CC(=O)NC[C@@H](NC(=O)[C@@H](C)C#N)C1CC1 1427930597 ROPQXWRATFIANR-CMPLNLGQSA-N 324.381 -0.738 30 20 DBED C[C@@H](C#N)C(=O)NCCN1CCN(C(=O)c2cnns2)CC1 1429796423 HQIKDGNNMQPAFM-JTQLQIEISA-N 322.394 -0.428 30 20 DBED C[C@H](C#N)C(=O)N1CC(CNC(=O)[C@H](C)CN2CCOCC2)C1 1430371876 UTVZLOWUQKXYRE-CHWSQXEVSA-N 322.409 -0.311 30 20 DBED CC(C)C[C@H](CNC(=O)[C@H](C)C#N)NC(=O)C1(NC(N)=O)CC1 1433012460 CHGOILNCMJPJIS-GHMZBOCLSA-N 323.397 -0.006 30 20 DBED C[C@H](C#N)C(=O)N1CCCO[C@@H](CNC(=O)Cc2cc[nH]n2)C1 1445237223 FPSQTAKTHXOERZ-YPMHNXCESA-N 319.365 -0.154 30 20 DBED CCN(CCNC(=O)c1cc(C#N)c[nH]1)C(=O)[C@@H](C)CC(N)=O 1449345995 IPPOXPVIMXOHHW-JTQLQIEISA-N 319.365 -0.024 30 20 DBED Cc1c(C(=O)NC[C@@]2(O)CCN(C(=O)[C@@H](C)C#N)C2)cnn1C 1454071480 YJAYHJQQKQIUPO-BONVTDFDSA-N 319.365 -0.419 30 20 DBED COCCn1cc(C(=O)NC2(CNC(=O)[C@@H](C)C#N)CC2)nn1 1506192656 LSOBCWZUTDOAAH-JTQLQIEISA-N 320.353 -0.537 30 20 DBED CC[C@@H](C(=O)N[C@H]1C[C@H](CNCC(=O)NCC#N)C1)N(C)C 1506897759 UHRBGTXLDSLJEU-AVGNSLFASA-N 309.414 -0.549 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)CCCn1ccnc1 1533290912 ZOFVUQXFXUESBE-RYUDHWBXSA-N 307.354 -0.584 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@H]1CC[C@H]1C(=O)O 1571088289 WFDCKPIWKITIBI-ZJUUUORDSA-N 305.356 -0.454 30 20 DBED CC[C@H](C)C[C@@H](NC(=O)Cn1cc(C#N)c(O)nc1=O)C(=O)O 1571154363 WXHFBOYFYPVLJV-WCBMZHEXSA-N 322.321 -0.174 30 20 DBED C#CCCN1CCC(NC(=O)[C@]2(COC)CNCCO2)CC1 1574583773 NGFNGWLYLIYNHT-MRXNPFEDSA-N 309.410 -0.405 30 20 DBED C#CCN(C(=O)N[C@H]1CCc2nnnn2CC1)C1CCNCC1 1574584098 VZDWJOUCNJXMHE-LBPRGKRZSA-N 317.397 -0.225 30 20 DBED CC#CCN1CC[C@@H](NC(=O)[C@@H]2CCCN2Cc2cnn[nH]2)C1 1575123856 XJUJXRYHEXSODT-HIFRSBDPSA-N 316.409 -0.017 30 20 DBED CC1(C)CN(c2cnc(-c3nn[nH]n3)c(C#N)n2)C[C@@H](CO)O1 1575727465 XECPHRDUHIXDRX-QMMMGPOBSA-N 316.325 -0.496 30 20 DBED C#CCN(CC(=O)O)C(=O)c1ccc(CNS(C)(=O)=O)o1 1588416046 GDOPZAFLJQEWHQ-UHFFFAOYSA-N 314.319 -0.511 30 20 DBED C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cn(CC(=O)O)nn1 1588432253 HDWPZWQHROMMAK-UHFFFAOYSA-N 322.321 -0.220 30 20 DBED C#CCNC(=O)CCN1[C@H]2CC[C@H]1[C@@H](C(=O)OC)[C@@H]2C(=O)O 1588479302 IPXXHQUQNLNOCC-YRRQLQLVSA-N 308.334 -0.538 30 20 DBED N#Cc1nc(N2CCN3CCOC[C@H]3C2)cnc1-c1nn[nH]n1 1592706333 PPGSEQBGHSYRIV-SECBINFHSA-N 313.325 -0.951 30 20 DBED CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)CSCC#N)C(=O)O 1599762247 ATSOQMFICCWRIR-OIBJUYFYSA-N 306.365 -0.753 30 20 DBED CC(C)C#CC(=O)NC[C@@H](O)CN=c1cc[nH]c(C(=O)O)n1 1603699980 IFUHKYLSWJTMMW-JTQLQIEISA-N 306.322 -0.855 30 20 DBED N#CCNC(=O)CS(=O)(=O)Cc1ccc(-c2nn[nH]n2)cc1 1606349662 GFXZLWKBXNHNEI-UHFFFAOYSA-N 320.334 -0.579 30 20 DBED O=C(O)Cn1cccc1C=NN1C(=O)[C@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C1=O 1608799617 YFWMXNPBOFQPSJ-AAXDQBDMSA-N 315.285 -0.155 30 20 DBED CCN(CCC#N)C(=O)CN1CCC(S(N)(=O)=O)CC1 1645636706 XRRROZRIWHKXSD-UHFFFAOYSA-N 302.400 -0.499 30 20 DBED COC[C@@H](O)CN1C[C@H]2[C@H](CNC(=O)CSCC#N)[C@H]2C1 1717590169 JQFYRNUGQHKEHI-ZDEQEGDKSA-N 313.423 -0.456 30 20 DBED COc1cc(C(=O)NCCCN2CCN(CC#N)CC2)on1 1752342779 CXLHPDHOLNBZDZ-UHFFFAOYSA-N 307.354 -0.056 30 20 DBED C#CCNC(=O)[C@H](C)N1CC(CNC(=O)CC[C@H](C)OC)C1 1753400950 OBDFNDPUBNVZHS-STQMWFEESA-N 309.410 -0.013 30 20 DBED C#CCO[C@H](C)C(=O)NC/C=C\CN[C@@H](C)C(=O)NC(=O)NC 1754120778 WFMBRHOIAASSHK-QHDQMSKJSA-N 324.381 -0.869 30 20 DBED Cn1cccc1C(=O)N[C@H](CNCC(=O)NCC#N)C1CC1 1754433425 GBCLRDNFYVNTIK-GFCCVEGCSA-N 303.366 -0.237 30 20 DBED C#CCNC(=O)CNC[C@@H](NC(=O)c1cc[n+]([O-])cc1)C1CC1 1754435082 IRZPYLSWUIENLK-CQSZACIVSA-N 316.361 -0.833 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CCN1C[C@H](O)Cn1cccn1 1754483886 QOPSPMGHEOKNBV-GJZGRUSLSA-N 302.378 -0.152 30 20 DBED COCC#CCN1[C@H]2CC[C@H]1CN(C(=O)[C@H]1COC(=O)N1)CC2 1754657855 HZJVUXKIXYIIQI-MELADBBJSA-N 321.377 -0.190 30 20 DBED O=C(C#CC1CC1)N[C@@]1(CO)CCCN([C@@H]2CCCNC2=O)C1 1754856842 SFRFKIGJWBRWOU-PBHICJAKSA-N 319.405 -0.379 30 20 DBED CC#CCN[C@H]1CN(C(=O)c2cn(C)c(=O)n(C)c2=O)C[C@@H]1C 1755116755 UHLMRPYYACEMQY-AAEUAGOBSA-N 318.377 -0.843 30 20 DBED C#CCNC(=O)CN1CC([C@H](C)NC(=O)CC2(COC)CC2)C1 1755372919 FTOGEIDLBNYIOB-ZDUSSCGKSA-N 321.421 -0.011 30 20 DBED COCC#CCN(C)CCOCCNC(=O)[C@@]12COC[C@@H]1C2 1755543522 ACCTVUXNGBEPFZ-HOCLYGCPSA-N 310.394 -0.263 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H](CO)CNC(=O)c1ccc(F)cc1 1755621027 GKTLNMJORYLRTH-RISCZKNCSA-N 321.352 -0.356 30 20 DBED CCn1cc(C(=O)N(C)C[C@H](O)CN(C)CC#CCOC)nn1 1755806241 AQUCRZGIAYYVNG-CYBMUJFWSA-N 323.397 -0.688 30 20 DBED C=CCO[C@@H](C)C(=O)N1C[C@@H](O)[C@H](NC(=O)CCOCC)C1 1756986016 ZXPUOUBGZNOQRO-YNEHKIRRSA-N 314.382 -0.308 30 20 DBED CCN(CCC#N)S(=O)(=O)N1C[C@@H](OC)C[C@@H](C(=O)O)C1 1776863611 FZXQQAFWFBPAEI-MNOVXSKESA-N 319.383 -0.112 30 20 DBED C[C@H](NC=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC#N)[C@H]2C1 1786370177 KAKPJZQJZJWWDM-CYDGBPFRSA-N 322.365 -0.986 30 20 DBED CN[C@@H](CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CC#N)C(=O)O 1795460951 CPXRZHKELVBXTJ-USZNOCQGSA-N 322.365 -0.399 30 20 DBED C=CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1nccn1 1799412662 ZSRMUMTZBBXWPR-JJLQDPRZSA-N 319.365 -0.556 30 20 DBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)C3CC3)C2)C1 1839806061 ZUTLORIOWSYJHT-MRXNPFEDSA-N 320.345 -0.945 30 20 DBED CNC(=S)NCCC(=O)N1CCCC12CN(C(=O)CC#N)C2 1844266256 SSCLHAAVQNUIJK-UHFFFAOYSA-N 323.422 -0.413 30 20 DBED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(O)O 1847447564 WFGIBJYUYMYWAO-DCAQKATOSA-N 312.366 -0.928 30 20 DBED COC(=O)C[C@@H]1C(=O)NCCN1CC(=O)N[C@@](C)(C#N)C1CC1 22089924 NLRWOHPFKLHWLH-ABAIWWIYSA-N 322.365 -0.842 30 20 DBED C#CCNS(=O)(=O)c1cccc(C(=O)N(C)CC(=O)OC)c1 57920398 RSROLTLNIAPHQQ-UHFFFAOYSA-N 324.358 -0.157 30 20 DBED CC(C)OC(=O)[C@@H](C)CNc1c(C#N)c(=O)n(C)c(=O)n1C 78511350 BKQDAMVFTZULOK-VIFPVBQESA-N 308.338 -0.045 30 20 DBED Cc1nc(C#N)c(N2CCN(C(=O)CN3CC[C@H](O)C3)CC2)o1 114469957 CKMITPVOMNOCJJ-LBPRGKRZSA-N 319.365 -0.430 30 20 DBED C#CCN1CCN(S(=O)(=O)c2ccc(C(N)=O)cc2)CC1 150873830 NKSOGNJIRPRJFD-UHFFFAOYSA-N 307.375 -0.275 30 20 DBED C/N=C(/NC[C@H]1CCCO1)N1CCN(c2cnn(C)c2)C(=O)C1 261736784 MDKDHUXYSIUVCE-CYBMUJFWSA-N 320.397 -0.177 30 20 DBED CCN/C(=N/C)N1CCN(S(=O)(=O)CCOC(C)C)CC1 261804052 RUEPUBXMMWGUGP-UHFFFAOYSA-N 320.459 -0.046 30 20 DBED COCCN/C(N)=N/C[C@H](O)COc1ccc2c(c1)OCO2 264116471 STQQTARFHRNUDH-JTQLQIEISA-N 311.338 -0.294 30 20 DBED Cn1c(NCC2([S@](C)=O)CCC2)c(C#N)c(=O)n(C)c1=O 280800483 RWTDSIVKFVZQEN-NRFANRHFSA-N 310.379 -0.331 30 20 DBED CCOCCOC1CN(C(=O)NCCn2cnc(C#N)n2)C1 287845064 LOKKDOHVCWHJAY-UHFFFAOYSA-N 308.342 -0.403 30 20 DBED C#CCSCCNC(=O)C(=O)Nc1c(C(=O)OC)cnn1C 293534202 XFCILXZSEZJGCN-UHFFFAOYSA-N 324.362 -0.372 30 20 DBED COCCN1CN(/C(O)=N/[C@@H]2CCCn3ncnc32)CC1=O 328761425 YAWSHGYGOFZBKZ-SNVBAGLBSA-N 308.342 -0.225 30 20 DBED C[C@H](O)[C@H](/N=C(/O)C1CC1)C(=O)N1CCN2C(=O)CC[C@@H]2C1 329370370 IQOSKNYSLOFFJR-NDMJEZRESA-N 309.366 -0.065 30 20 DBED CN1CCO[C@@H](CN(CC2CC2)/C(O)=N/Cc2nnn(C)n2)C1 330221751 LXOXONLCIQKSAZ-GFCCVEGCSA-N 323.401 -0.333 30 20 DBED N=C(O)[C@@H]1CN(/C(O)=N/CCCN2CCOCC2)CCO1 330483254 ZCOHVXZXZSQBSQ-NSHDSACASA-N 300.359 -0.141 30 20 DBED N#Cc1cccc(CS(=O)(=O)N2CCN(C(=O)CO)CC2)c1 330672149 XGKWQWIZIXFOOU-UHFFFAOYSA-N 323.374 -0.475 30 20 DBED CC(C)[C@H](C/N=C(/O)N1C[C@@H](O)C[C@H]1CO)N1CCOCC1 331101187 BWSUJGSGARTKLS-IHRRRGAJSA-N 315.414 -0.315 30 20 DBED C[C@@H](O)CC(C)(C)CNS(=O)(=O)N1CCO[C@@H](C#N)C1 336937953 HENRIDJODCLAFH-MNOVXSKESA-N 305.400 -0.158 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@](C)(O)CN(C)C 336942233 KJSRMWGEEMLPLB-RYUDHWBXSA-N 306.432 -0.385 30 20 DBED COCCN(CCC#N)S(=O)(=O)NC[C@](C)(O)C1CC1 337054767 APURRMSZKFTVER-LBPRGKRZSA-N 305.400 -0.156 30 20 DBED COC[C@@H]1CN(S(=O)(=O)N2CCO[C@@H](C#N)C2)C[C@H](C)O1 337160955 UDCTXCUOEDYJBA-SRVKXCTJSA-N 319.383 -0.809 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)NCc1nnnn1CC1CC1 337754961 BCDPILMSQMGIDB-SECBINFHSA-N 313.387 -0.349 30 20 DBED CC1=CCN(S(=O)(=O)CCCS(=O)(=O)NCC#N)CC1 349499156 CYPFUKCQXNXKRJ-UHFFFAOYSA-N 321.424 -0.199 30 20 DBED C=CC[C@H](CO)CNC(=O)c1ccc(S(=O)(=O)NC)nc1 353512967 HAVVCEORXYZLRH-JTQLQIEISA-N 313.379 -0.096 30 20 DBED COCCN([C@@H](C)C(N)=O)S(=O)(=O)c1ccc(C#N)nc1 358189526 MYLJVHLJFVGDDU-VIFPVBQESA-N 312.351 -0.536 30 20 DBED CNC(=O)[C@H]1CCCN(S(=O)(=O)N(C)[C@H](C)CC#N)C1 407975930 LYLWOFIISFLGDB-MNOVXSKESA-N 302.400 -0.077 30 20 DBED CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)[C@H](N)CCCC#N 424139913 RUJJEWDHIOVHMZ-IJLUTSLNSA-N 316.427 -0.158 30 20 DBED C=CCCn1cc(C(=O)N[C@H](CC(=O)OC)C(=O)OC)nn1 424560886 LTEXQHABZKRNGF-SECBINFHSA-N 310.310 -0.311 30 20 DBED C#C[C@@H](CC)NC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 491819030 RWRLYRAAOUKTIV-ZDUSSCGKSA-N 320.393 -0.126 30 20 DBED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CC[C@@H](O)C2)c1 555062452 ANEFHMDNTHTPAY-LLVKDONJSA-N 309.347 -0.570 30 20 DBED CN(CCC#N)C[C@H](O)CNCC1(S(C)(=O)=O)CCC1 564076684 QNIOKUFTBGOCLM-GFCCVEGCSA-N 303.428 -0.250 30 20 DBED C[C@@](C#N)(NC(=O)CN1C(=O)N[C@]2(CCCNC2)C1=O)C1CC1 568626303 QKKWEPNKMJCXGE-GJZGRUSLSA-N 319.365 -0.531 30 20 DBED CC(C)(C)[C@H](C#N)NC(=O)c1nc(N)nc(N2CCOCC2)n1 573450479 SZGIBXNPWIJOLT-VIFPVBQESA-N 319.369 -0.042 30 20 DBED C=C(C)CS(=O)(=O)NC[C@@H]1CCC[C@@]12NC(=O)NC2=O 577830122 YUVFYRGCJGWZRD-JOYOIKCWSA-N 301.368 -0.140 30 20 DBED N#CC1CN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 590486949 UUOOHSWSHUYMSR-UHFFFAOYSA-N 324.318 -0.145 30 20 DBED C[C@@H](Cc1ccc(C#N)cc1)C(=O)N(CC(N)=O)CC(N)=O 594271062 KDOUCDYGLFOPOD-JTQLQIEISA-N 302.334 -0.464 30 20 DBED CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)COc1ccc(C#N)cc1 598029868 SXOQRZAHNKXCCM-CHWSQXEVSA-N 324.358 -0.135 30 20 DBED COC(=O)C[C@@H](O)CNC(=O)C(=O)Nc1cc(C)cc(C#N)c1 600058539 FYXOOTRTGWGJQQ-GFCCVEGCSA-N 319.317 -0.155 30 20 DBED CN(CCCNC(=O)CN1CC[C@](F)(C#N)C1)S(C)(=O)=O 615644750 KAIUSRRKLVXPGM-LBPRGKRZSA-N 320.390 -0.678 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](CO)CC2CC2)C1=O 678390620 RGUBDCCKSMYXEL-SNVBAGLBSA-N 309.322 -0.760 30 20 DBED C#CCCCS(=O)(=O)N1CCC(C(=O)NCCO)CC1 711162529 MJUBHAZEJVSYLP-UHFFFAOYSA-N 302.396 -0.450 30 20 DBED C=CCN1C(=O)c2ccc(C(=O)N[C@@H](CO)C(=O)O)cc2C1=O 736106383 BPLYAORSHOUGBJ-NSHDSACASA-N 318.285 -0.356 30 20 DBED COCC(=O)N(C)CC(=O)[C@H](C#N)C(=O)Nc1ccccn1 759237670 UUZZHPCMZITYJA-JTQLQIEISA-N 304.306 -0.166 30 20 DBED C#CCNC(=O)CN1CCN(S(=O)(=O)CC2CCC2)CC1 771750363 DYSKYCWKVMCUEC-UHFFFAOYSA-N 313.423 -0.517 30 20 DBED C=CCS(=O)(=O)CCNC(=O)CN(C)CC(=O)NC(C)C 783616324 HSLJVCKACCURAH-UHFFFAOYSA-N 319.427 -0.840 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@H]1CCc2c[nH]nc2C1)[C@H]1CCCO1 806306018 ZISQEFSWASADGQ-SGMGOOAPSA-N 316.361 -0.320 30 20 DBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCCCN1 819761699 ZQYLAPIRQHDEAF-UHFFFAOYSA-N 308.363 -0.148 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N[C@H](C)Cn1ccnc1 827190015 POBIKJHQAKMPNI-CYBMUJFWSA-N 306.366 -0.114 30 20 DBED CS(=O)(=O)Nc1cccc(C(=O)N[C@@H]2CNC[C@@H]2C#N)c1 834516776 LWZVGJVDWCKBLF-CMPLNLGQSA-N 308.363 -0.101 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[C@H](F)C2)c1=O 840102663 AITJILAZVIAFEY-NSHDSACASA-N 310.329 -0.455 30 20 DBED C#CCCN1CCN(S(=O)(=O)N2CCC(OC)CC2)CC1 849372300 KUIANTDQKRDEGE-UHFFFAOYSA-N 315.439 -0.017 30 20 DBED C#CC[C@H](NC(=O)[C@@H](CO)NC(=O)OC(C)(C)C)C(=O)OC 861951460 ZDFBBTOMAIIHDK-VHSXEESVSA-N 314.338 -0.447 30 20 DBED COCCN(C)CCN1C[C@H](NC(=O)C#CC(C)C)CC1=O 868386440 DVFRQPZXUUHJDV-CQSZACIVSA-N 309.410 -0.059 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N1C[C@H]2CN(C(C)=O)C[C@H]2C1 880307986 CDRJZAYKDQZKMD-RTXFEEFZSA-N 308.382 -0.203 30 20 DBED C#CC1(O)CN(C(=O)c2cccc(S(=O)(=O)NC3CC3)c2)C1 890520220 XVTMUHLGPIODJW-UHFFFAOYSA-N 320.370 -0.053 30 20 DBED CCOC(=O)[C@H]1CCCN(CC(=O)N2CCN(CC#N)CC2)C1 900777250 NLYFWWHQKYWSOF-AWEZNQCLSA-N 322.409 -0.071 30 20 DBED C[C@@H](C#N)C(=O)N1CCCN(C(=O)Cn2cnnc2O)CC1 940810713 OYBCXRSLLNQDMU-JTQLQIEISA-N 306.326 -0.796 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2CCCCN(C(=O)C(N)=O)C2)c1 943518263 HQCRKXKRUKPICL-CYBMUJFWSA-N 314.345 -0.341 30 20 DBED C[C@H]1CN(C(=O)C(N)=O)CC[C@H]1NC(=O)c1ccc(C#N)[nH]1 945484224 MTVRTZCCZDTFQM-WCBMZHEXSA-N 303.322 -0.662 30 20 DBED C=CC(C)(C)C(=O)N1CCC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1 951542615 BHIZVVGZTNFGER-MNOVXSKESA-N 308.382 -0.013 30 20 DBED C[C@H](C#N)C(=O)N1CC(N(C)C(=O)c2ccc3nnnn3c2)C1 954765462 YMFKXPVIWQYNBQ-SECBINFHSA-N 313.321 -0.433 30 20 DBED C[C@H]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)CC(N)=O 955594520 NLUYBGFYXQTQHI-UWVGGRQHSA-N 317.349 -0.129 30 20 DBED C[C@H]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)C(N)=O 955797304 SIDPKSXCAVDITC-WPRPVWTQSA-N 303.322 -0.519 30 20 DBED N#Cc1cc(C(=O)N[C@H]2[C@@H]3CN([C@@H]4CCCNC4=O)C[C@@H]32)c[nH]1 958618533 SPSZUQHDVFZGBD-RQJABVFESA-N 313.361 -0.175 30 20 DBED CC#CCN1C[C@@H](O)[C@H](CNC(=O)c2cnn(C)c2OC)C1 958626697 PWVSYGGRCCLGBC-DGCLKSJQSA-N 306.366 -0.526 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2nc[nH]n2)C1 958923296 OIBRUIISLHDOSF-UWVGGRQHSA-N 307.354 -0.339 30 20 DBED N#CCN1C[C@@H]2C(NC(=O)c3cnc4c(c3)NC(=O)CO4)[C@H]2C1 960821986 ADDHQJLTHUPJDR-UWVGGRQHSA-N 313.317 -0.404 30 20 DBED C#CCCN1C[C@H]2[C@H](NC(=O)c3nc(O)nc(O)c3OC)[C@H]2C1 962281844 REPAJFJXOOERSU-MYJAWHEDSA-N 318.333 -0.420 30 20 DBED C=C(Cl)CN1C[C@@H]2C(NC(=O)CN3C(=O)CCC3=O)[C@H]2C1 962497580 SXZALWDVZDKVHB-UWVGGRQHSA-N 311.769 -0.066 30 20 DBED N#Cc1c[nH]c(C(=O)N2CCC[C@@H]3[C@H]2CCN3C(=O)C(N)=O)c1 962881481 UTCNXOUCPDAGII-VXGBXAGGSA-N 315.333 -0.423 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)C1=CCOCC1 964152145 CTDJCDILDNZGFO-YPMHNXCESA-N 307.350 -0.164 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@H](NC(=O)c2cccnn2)C1 970039172 WJLMYNASWRCXAO-NEPJUHHUSA-N 304.350 -0.010 30 20 DBED C=CCCN1CC([C@H](C)NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 970518930 QVQJILRHFZOBLA-NSHDSACASA-N 320.393 -0.290 30 20 DBED C#CCCN1CCO[C@@]2(CCN(C(=O)c3nnn(C)n3)C2)C1 972507223 XZIMGUMWZYUPPT-AWEZNQCLSA-N 304.354 -0.850 30 20 DBED CC#CCN1CCO[C@@]2(CCN(C(=O)c3cnn(C)n3)C2)C1 972598839 JWLXMSMYPCYSSL-HNNXBMFYSA-N 303.366 -0.245 30 20 DBED C#CCN1C[C@H](NC(=O)c2cn(CCOC)nn2)C(C)(C)C1 974587820 NKPRUPZRDQWTSC-ZDUSSCGKSA-N 305.382 -0.002 30 20 DBED C#Cc1cncc(C(=O)NC[C@H]2CCCN(C(=O)C(N)=O)C2)c1 975527592 JRMSFXQLJJHYCF-GFCCVEGCSA-N 314.345 -0.483 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]2CCN(C(=O)C(N)=O)C[C@@H]21 975933867 FXOJXQAMDFQLFM-RNJOBUHISA-N 321.377 -0.488 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)[C@@H]3CC(=O)N(C)C3)[C@H]2C1 976653994 QCYGZXJXNSIYLB-YFVNTRNASA-N 304.350 -0.803 30 20 DBED C#CCN[C@H]1CCC[C@H](NC(=O)c2cnc(O)n(C)c2=O)C1 981269460 ZQVBICIDTUHQSH-QWRGUYRKSA-N 304.350 -0.250 30 20 DBED C=CCCn1cc(C(=O)N2CCCN(CC(=O)NC)CC2)nn1 982143207 PPUJEVXHQVZBNT-UHFFFAOYSA-N 320.397 -0.252 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](CNC(=O)c2cn(C)c(=O)n2C)C1 983219754 DQEBKWRRSWKQRE-QWRGUYRKSA-N 319.365 -0.538 30 20 DBED CN(C[C@@H]1CCCCN1C(=O)C(N)=O)C(=O)c1ccc(C#N)[nH]1 990584678 YILJXSVQFKNELV-NSHDSACASA-N 317.349 -0.175 30 20 DBED C#CCOc1ncccc1C(=O)N[C@H]1CCN(C(C)=O)C[C@H]1O 991638299 LYDRYSTZWOHNRN-UONOGXRCSA-N 317.345 -0.195 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@@H](NC(=O)c2cnon2)[C@@H](O)C1 991703924 JUYOGJYIAHBGDX-KOLCDFICSA-N 308.338 -0.027 30 20 DBED C#CCCN1CCC[C@H](NC(=O)CN2CC(=O)NC2=O)[C@@H]1C 994015960 BUQGLGWFPVXRBQ-RYUDHWBXSA-N 306.366 -0.469 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC(NC(=O)[C@H]3CCCC(=O)N3)C2)c1 994106695 NLFMFOZGFTUQOG-LLVKDONJSA-N 315.333 -0.504 30 20 DBED N#Cc1ccc(C(=O)N2CC(NC(=O)C[C@@H]3CCC(=O)N3)C2)[nH]1 995386037 ZKBFBQUQOAAARO-VIFPVBQESA-N 315.333 -0.504 30 20 DBED N#CCN1CCC(C2(NC(=O)C3CC(=O)NC(=O)C3)CC2)CC1 1000285417 BLRXDCQXQHUOPD-UHFFFAOYSA-N 318.377 -0.076 30 20 DBED C=CCCN1CCC(NC(=O)c2cn(C)c(=O)n(C)c2=O)CC1 1003727259 YRASYFVUXPUTMV-UHFFFAOYSA-N 320.393 -0.146 30 20 DBED COc1cncc(C(=O)N2CCN(C(=O)[C@@H](C)C#N)CC2)n1 1011133182 UDSKBFZPJMQGSG-JTQLQIEISA-N 303.322 -0.071 30 20 DBED Cn1cncc1CC(=O)NC1[C@H]2CN(C(=O)C#CC3CC3)C[C@H]12 1013445405 QGAHEZFPSCDRDT-KBPBESRZSA-N 312.373 -0.051 30 20 DBED Cn1cc(C(=O)NC2[C@H]3CN(C(=O)C#CC4CC4)C[C@H]23)nc1O 1013724602 GDUUZZXPHOZEOG-QWRGUYRKSA-N 314.345 -0.274 30 20 DBED N#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)C1CCN(C(N)=O)CC1 1018253580 OOPBUMRURVOQJB-BETUJISGSA-N 305.382 -0.024 30 20 DBED C=CCN1CC[C@H](N[C@H]2C[C@H](NC(=O)[C@@H]3[C@H]4COC[C@H]43)C2)C1=O 1020489072 QVIDFZZYKDTMGT-CTTWBBHYSA-N 319.405 -0.098 30 20 DBED C#CCN1CC[C@@H]2[C@H](CCCN2C(=O)C2CC(=O)NC(=O)C2)C1 1021687540 ALJIWJDWKOYWLH-TZMCWYRMSA-N 317.389 -0.015 30 20 DBED C#CCN1CC[C@@H](CNC(=O)c2cn([C@H]3CCOC3)nn2)C1 1028917986 VWDAIDBMTBAVJU-STQMWFEESA-N 303.366 -0.076 30 20 DBED N#Cc1cc(CN2CC(NC(=O)Cn3ncnn3)C2)ccc1F 1030314948 CIFGXSHSZAQGAM-UHFFFAOYSA-N 315.312 -0.316 30 20 DBED CC[C@H](C(N)=O)N1CCO[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 1035327591 XDWQORUOAZPOIJ-DGCLKSJQSA-N 319.365 -0.419 30 20 DBED CN1CCN(CC(=O)N2C[C@@H]3CCC[C@H](C2)N3CC#N)CC1=O 1039699344 OHCPGQKASMKYGX-OKILXGFUSA-N 319.409 -0.651 30 20 DBED Cc1ccn(CC(=O)NC[C@]2(O)CCN(C(=O)[C@H](C)C#N)C2)n1 1040940022 DKRPWRRCPAKTNG-IAQYHMDHSA-N 319.365 -0.569 30 20 DBED Cn1cnc(C(=O)N[C@@H]2CN(c3ccc(C#N)cn3)C[C@H]2O)n1 1041015052 YUOXKTOMCNPHRD-GHMZBOCLSA-N 313.321 -0.939 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2ccccn2)C1 1041174066 BCGCYDMWDWTBPV-LBPRGKRZSA-N 317.345 -0.577 30 20 DBED N#CCSCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCCO2)C1 1041568722 NZTVJYMFHFDBQQ-JTQLQIEISA-N 313.379 -0.888 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)[C@@H](C)OC)C1 1041773494 TUIHZDFAFVXOLP-MNOVXSKESA-N 300.355 -0.698 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)C[C@H](C)OC)C1 1041943100 JYDWUSHIHUBARK-RYUDHWBXSA-N 312.366 -0.861 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 1041963517 RGSBKKRCLQVKRA-NEPJUHHUSA-N 323.393 -0.456 30 20 DBED O=C(NCC1(O)CN(C(=O)C#CC2CC2)C1)c1cscn1 1042017262 DRYAKIJLTCCJEC-UHFFFAOYSA-N 305.359 -0.140 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)c2ccncc2F)C1 1042040484 SKXQTSQNRACGRK-UHFFFAOYSA-N 323.324 -0.274 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)[C@H](C)OCC)C1 1042040762 YINXXZFUVNIHRH-NSHDSACASA-N 300.355 -0.697 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)c2nc(C)c[nH]2)C1 1042802993 QIAJKWADTHRMDG-UHFFFAOYSA-N 304.350 -0.175 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(O)CN(C(=O)[C@H](CC)OC)C1 1042807731 YCRHVXOWZRXHDL-SMDDNHRTSA-N 314.382 -0.572 30 20 DBED CC(C)[C@@H](C(=O)NCC1(O)CN(C(=O)[C@@H](C)C#N)C1)N(C)C 1043472010 NXUIKSWAJPBSBR-RYUDHWBXSA-N 310.398 -0.578 30 20 DBED Cn1cc(C(=O)N[C@@H]2CN(c3cncc(C#N)n3)C[C@@H]2O)cn1 1043856443 UYDRZFBDCCPRHU-NEPJUHHUSA-N 313.321 -0.939 30 20 DBED Cc1nc(N2C[C@H](O)[C@H](NC(=O)[C@@H]3CCOC3)C2)ccc1C#N 1043866231 GJIAULQGGXFJDF-MCIONIFRSA-N 316.361 -0.036 30 20 DBED COc1cccc(C(=O)N2CC(O)(CNC(=O)[C@@H](C)C#N)C2)n1 1045546010 GLHKFESNLNCNEZ-JTQLQIEISA-N 318.333 -0.447 30 20 DBED CC#CCN1CC[C@H](N2CCN(C(=O)[C@H]3COC(=O)N3)CC2)C1 1046025111 UKNJHRRXCLYITP-UONOGXRCSA-N 320.393 -0.663 30 20 DBED C=C(C)CN1CC[C@@H](N2CCN(C(=O)[C@@H]3CCNC3=O)CC2)C1 1046048663 BRNPFLRIODFIFX-HUUCEWRRSA-N 320.437 -0.083 30 20 DBED N#CCN1CC[C@@H](N2CCN(C(=O)Cn3ccnc3)CC2)C1 1046088120 FWKUCMGYAFJOTO-CQSZACIVSA-N 302.382 -0.375 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)Cc2ccc(C(N)=O)nc2)C1 1047428050 VEFYMUGWNMHVOB-KBPBESRZSA-N 318.377 -0.588 30 20 DBED CN(C(=O)c1cnn(C)c1C(F)F)[C@H]1CN(CC#N)C[C@@H]1O 1047592393 NGWMQBRGYMVHGO-UWVGGRQHSA-N 313.308 -0.002 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCOC2)C1 1048499953 FLBGOSGLRVMJJK-RDBSUJKOSA-N 308.378 -0.288 30 20 DBED C=CCOCC(=O)N(C)[C@H]1CN(C(=O)Cn2ccnc2)C[C@@H]1O 1048557616 FMGFTVBEJHDGQT-STQMWFEESA-N 322.365 -0.884 30 20 DBED C#CCCCC(=O)N(C)[C@H]1CN(C(=O)c2cncnc2)C[C@@H]1O 1048749905 DMFGUPLXUKYBCL-KBPBESRZSA-N 316.361 -0.076 30 20 DBED C=CCO[C@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2ncc[nH]2)C1 1048799193 VJKVTAVTUCZUFQ-WOPDTQHZSA-N 322.365 -0.356 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)Cc2cncn2C)C[C@@H]1O 1049394693 MTMQZWNDIBUUTQ-DRZSPHRISA-N 319.365 -0.848 30 20 DBED C#Cc1cncc(C(=O)NC[C@H]2COCCN2CC(=O)NC)c1 1051105689 GTWIHRKSLDVROF-AWEZNQCLSA-N 316.361 -0.761 30 20 DBED CC#CCN1CCOC[C@H]1CNC(=O)c1cnn(C)c1OC 1051224798 BHXNDEPDYNYINP-GFCCVEGCSA-N 306.366 -0.117 30 20 DBED O=C1NCCC[C@H]1NC[C@H]1CN(C(=O)C#CC2CC2)CCO1 1051609148 OXYJPSSEELCHRQ-UONOGXRCSA-N 305.378 -0.505 30 20 DBED N#Cc1nccnc1N1CC[C@H](NC(=O)c2cn[nH]c2)[C@H](O)C1 1051626002 HQTBHXLWRDWDGD-CMPLNLGQSA-N 313.321 -0.559 30 20 DBED C#CCCCC(=O)N1C[C@H](CNC(=O)CNC(N)=O)[C@@H](C)C1 1052472550 QENOCRRRGOEBMN-RYUDHWBXSA-N 308.382 -0.331 30 20 DBED C=C(C)CN1CC2(C1)CN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)CCO2 1053426647 SJFYWOUWEKPMSK-QWHCGFSZSA-N 323.393 -0.491 30 20 DBED CCN1C[C@@H](C(=O)NC[C@H]2CCC3(CN(CC#N)C3)O2)CC1=O 1053605900 DBZZHRPYRZQCIL-QWHCGFSZSA-N 320.393 -0.272 30 20 DBED C#CCN1CC2(CC[C@H](CNC(=O)[C@H]3CCN(C(C)=O)C3)O2)C1 1053689934 FWAWCSNCIHBIEJ-LSDHHAIUSA-N 319.405 -0.162 30 20 DBED C#CCN1CC[C@]2(CCCN(C(=O)Cn3cnnc3O)C2)C1 1054118333 GDLLSYFRZGWXLD-OAHLLOKOSA-N 303.366 -0.069 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@](CO)(NC(=O)c2ccon2)C1 1055801574 OVZDCMPJLONQLW-YGRLFVJLSA-N 306.322 -0.082 30 20 DBED C=CCOCC(=O)N1CCC[C@](CO)(NC(=O)c2cnon2)C1 1056071495 BXEBSYAYHMDBQX-AWEZNQCLSA-N 324.337 -0.645 30 20 DBED Cn1cc(C(=O)NC2[C@@H]3CN(c4cnc(C#N)cn4)C[C@@H]23)cn1 1056134635 JMLDUHVDQGNEBN-VXGBXAGGSA-N 309.333 -0.054 30 20 DBED Cn1nccc1C(=O)NC1[C@@H]2CN(c3ccc(C#N)nn3)C[C@@H]12 1056140159 YXZUOWOSKDJPFX-GHMZBOCLSA-N 309.333 -0.054 30 20 DBED Cn1nccc1C(=O)NC1[C@H]2CN(c3ccc(C#N)nn3)C[C@H]12 1056140160 YXZUOWOSKDJPFX-QWRGUYRKSA-N 309.333 -0.054 30 20 DBED N#CCSCC(=O)N(CCO)CCNC(=O)[C@H]1CCOC1 1057026665 HLDFASOTABDCIL-NSHDSACASA-N 315.395 -0.783 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCN(CCO)C(=O)[C@@H](C)OCC 1057057930 IDABRVSSZNECLW-IUODEOHRSA-N 316.398 -0.324 30 20 DBED COC[C@H](C)C(=O)N(CCO)CCNC(=O)CSCC#N 1057188846 DDLWOZFEQSKPHY-NSHDSACASA-N 317.411 -0.537 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)[C@@]1(C)CCOC1 1057194454 DHLDNJWKVAQSPI-HNNXBMFYSA-N 314.382 -0.447 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)C[C@H]1CCNC1=O 1057445311 PKEHSESBOPVJMU-CYBMUJFWSA-N 323.393 -0.747 30 20 DBED C#CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)c1n[nH]cc1C 1057583512 RZCZEWLVSBINMS-LBPRGKRZSA-N 322.365 -0.693 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)c1cc2n(n1)CCO2 1057904731 QXCHUIUDRUYVDW-UHFFFAOYSA-N 322.365 -0.208 30 20 DBED N#Cc1cnc(N[C@H]2C[C@H](NC(=O)[C@H]3CC[C@@H]3C(N)=O)C2)cn1 1059368385 QRARRQHBOMYXPJ-QSFUFRPTSA-N 314.349 -0.081 30 20 DBED C#CCOCCC(=O)N1CC[C@H](CCNC(=O)c2nc[nH]n2)C1 1059645603 FSTJRQNHWLWRML-LBPRGKRZSA-N 319.365 -0.187 30 20 DBED N#Cc1cncc(NC[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)C2)n1 1060972077 CJIMZOUABXCPFF-ONGXEEELSA-N 315.337 -0.710 30 20 DBED CC(C)C#CC(=O)NC[C@H]1COCCN1C(=O)Cn1cncn1 1061568966 VLWPBRXJZJQUNB-ZDUSSCGKSA-N 319.365 -0.719 30 20 DBED N#CCSCC(=O)NCC1(NC(=O)Cn2nccn2)CCC1 1062580990 UCYIKHBVPZWGBV-UHFFFAOYSA-N 322.394 -0.310 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(NC(=O)c2ncn(C)n2)CCC1 1063041709 BYRDSEKPYVJAKO-LLVKDONJSA-N 319.365 -0.378 30 20 DBED Cn1cnc(C(=O)N[C@@H]2[C@H]3C[C@H]2N(c2ccnc(C#N)n2)C3)n1 1064242554 PEGGFNXMRSYYEA-YGOYTEALSA-N 310.321 -0.516 30 20 DBED Cn1ncc(C(=O)N[C@@H]2[C@H]3C[C@H]2N(c2ccc(C#N)nn2)C3)c1N 1064244770 DCTFOPMGZGPSIY-RLCGTCKNSA-N 324.348 -0.329 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)Cc2ccn(C)n2)C1 1065555930 BMZMHVUFDMDXEC-YPMHNXCESA-N 319.365 -0.534 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@H](CNC(=O)Cn2ccnc2)C1 1065561226 PSOMOVXQCSEQES-NWDGAFQWSA-N 305.338 -0.614 30 20 DBED N#Cc1nccnc1N1C[C@H](CNC(=O)c2ccccn2)[C@@H](O)C1 1067642758 KAZTUSNHISEMDD-FZMZJTMJSA-N 324.344 -0.030 30 20 DBED Cn1nncc1C(=O)NC1CC(CN=c2cc[nH]c(C#N)n2)C1 1067845916 MFNFUWMAIDTIET-UHFFFAOYSA-N 312.337 -0.481 30 20 DBED C[C@@H](Nc1ccc(C#N)nc1)[C@@H]1CN(C(=O)CC(N)=O)CCO1 1068226792 ANWRQNYDDDKBQL-MFKMUULPSA-N 317.349 -0.144 30 20 DBED C=CCOCC(=O)N1CCOC2(C1)CN(C(=O)[C@H](C)C#N)C2 1068355183 JFIAAJKINNSIFK-GFCCVEGCSA-N 307.350 -0.212 30 20 DBED CC(=O)NCC(=O)NC[C@@H]1CCC2(CN(C(=O)[C@H](C)C#N)C2)O1 1068497757 RXORSAVKPWLWDK-PWSUYJOCSA-N 322.365 -0.842 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1COC2(C1)CN(C(=O)C(C)C)C2 1068819936 OMGJVKOHONAFLY-GFCCVEGCSA-N 321.377 -0.732 30 20 DBED C[C@H]1[C@H](Nc2cnc(C#N)cn2)CCN1C(=O)Cn1ncnn1 1068901927 UCQLBWCXZNAZML-GXSJLCMTSA-N 313.325 -0.564 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1COC2(C1)CN(C(=O)CC1(O)CCC1)C2 1069003668 OKUZAUZNGXSOEV-NWDGAFQWSA-N 321.377 -0.063 30 20 DBED C[C@@H]1CCN(CC(=O)N[C@@H]2CN(CC#N)C[C@@H]2n2ccnn2)C1 1070029048 RTLQJUSZSAESSU-MCIONIFRSA-N 317.397 -0.515 30 20 DBED COCC(=O)NCC1(NC(=O)c2c[nH]c(C#N)c2)CCOCC1 1070082584 HPSILQJAKWUQIH-UHFFFAOYSA-N 320.349 -0.072 30 20 DBED C=C(C)C[C@@H](C)C(=O)NCC1(NC(=O)C(N)=O)CCOCC1 1070229760 HFPMZXGOQSSUSD-LLVKDONJSA-N 311.382 -0.144 30 20 DBED Cc1nc[nH]c1C(=O)N1CCC(=O)NCCN(CC#N)CC1 1071025681 QULXBSIWEYSREB-UHFFFAOYSA-N 304.354 -0.494 30 20 DBED C#CCN1C[C@@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)CC[C@@H]1C 1071966474 FJGQVUNLBCZJOC-RYUDHWBXSA-N 320.393 -0.081 30 20 DBED C[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@@H]1NC(=O)Cn1cnnn1 1072059503 CWICTJKSWNXETE-NEPJUHHUSA-N 318.381 -0.314 30 20 DBED C=CCCOCC(=O)N1C[C@@H](C)[C@@H](NC(=O)c2cnn[nH]2)C1 1072338863 IHJWFVCLGNWRDW-PWSUYJOCSA-N 307.354 -0.026 30 20 DBED C#CCCN1CCO[C@H]2CCN(C(=O)Cn3nccn3)C[C@H]21 1074256200 QPMKLPZEHPDTPG-KGLIPLIRSA-N 303.366 -0.397 30 20 DBED C=CCCC(=O)NCC1(O)CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1 1074732428 WCELRGIHCHALFZ-NEPJUHHUSA-N 323.393 -0.456 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CN(C(C)C)CCO2)C1 1077566511 DMEBWYKQJKEIRW-RBSFLKMASA-N 311.426 -0.167 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)Cn2nnc3c2CCCC3)C1 1077687926 ZKBXERAYKLMJOR-TZMCWYRMSA-N 305.382 -0.496 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)C(=O)N2CCC(C)CC2)C1 1077788689 JNNDVEDKCLTBJG-ZIAGYGMSSA-N 309.410 -0.018 30 20 DBED C=C[C@@H](CC)CC(=O)N1CCC(CO)(NC(=O)C(N)=O)CC1 1080978614 KHVFARFZXNUQBC-NSHDSACASA-N 311.382 -0.456 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(C(=O)COCC2CC2)C[C@H]1O 1081468451 KEDSJMWTMOFHPT-HUUCEWRRSA-N 320.389 -0.238 30 20 DBED COCC1(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C#CC3CC3)C2)CC1 1081473387 GDWLQYVHEUUFBF-UONOGXRCSA-N 320.389 -0.238 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@H](CNC(=O)Cc2ccn(C)n2)C1 1081477801 XVMFVQXMWRYTFD-OCCSQVGLSA-N 320.393 -0.136 30 20 DBED C=C1CC(C)(C(=O)NC[C@H]2CN(C(=O)CC(=O)NC)C[C@H]2O)C1 1081753574 XEQSWYCDNQNCDH-NWDGAFQWSA-N 323.393 -0.586 30 20 DBED C=CCn1cc(C(=O)N2CCCC[C@H]2CNC(=O)C(N)=O)nn1 1082082696 HQTMRHRWBHFKCA-JTQLQIEISA-N 320.353 -0.940 30 20 DBED COCc1nn(C)cc1C(=O)N1CCO[C@@H]2CN(CC#N)C[C@@H]21 1083124712 LTDGRKQPDJWYNJ-UONOGXRCSA-N 319.365 -0.385 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 1083663060 VEYLXNZXGKFMCS-XQQFMLRXSA-N 319.365 -0.897 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2ccc3nc(O)n(C)c3c2)C1 1084129690 WVTBDZDRIXWEFO-OCCSQVGLSA-N 314.345 -0.313 30 20 DBED N#CCN1C[C@H]2CC[C@H]1[C@H]1CN(C(=O)C3CS(=O)(=O)C3)C[C@@H]21 1087359491 XRWNRALVFPWSNF-SAXRGWBVSA-N 323.418 -0.277 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2cn(C)c(C)cc2=O)[C@@H](O)C1 1090343019 UGONLECQMZDJPP-HOCLYGCPSA-N 317.389 -0.118 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)c2nnc(O)nc2O)[C@@H](O)C1 1090397023 QTTRGTRXMBWOOR-IUCAKERBSA-N 309.326 -0.976 30 20 DBED C=CCN1CC[C@H](NC(=O)c2ccc3nnc(O)n3c2)[C@H](O)C1 1090640086 GRMCNNLHMIATKQ-NWDGAFQWSA-N 317.349 -0.214 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1091081921 RLLUPMZTJYXROO-NEPJUHHUSA-N 303.322 -0.783 30 20 DBED N#Cc1cnc(N[C@H]2C[C@H](CNC(=O)C3(C(N)=O)CC3)C2)cn1 1091506369 SPTHYEJAUWLTFW-MGCOHNPYSA-N 314.349 -0.080 30 20 DBED N#Cc1nccnc1N[C@H]1C[C@H](CNC(=O)C2(C(N)=O)CC2)C1 1091506729 ZRIFYEKEXQVSSN-MGCOHNPYSA-N 314.349 -0.080 30 20 DBED C[C@H]1CO[C@H](C(=O)NCc2cn(C3CN(CC#N)C3)nn2)C1 1094306933 ZIIXFELMWUXCAZ-MFKMUULPSA-N 304.354 -0.300 30 20 DBED Cc1cc(C#N)nc(NCCCNC(=O)CCn2cnnn2)n1 1094541399 MOKILCYGBJYAHX-UHFFFAOYSA-N 315.341 -0.348 30 20 DBED C=C(C)CN1CCN(C(=O)c2cn[nH]c2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094607305 IXRFFJYWMXSCJT-QWHCGFSZSA-N 324.406 -0.091 30 20 DBED C#CCN1CCN(C(=O)[C@@H]2[C@H]3CCC[C@H]32)[C@@H]2CS(=O)(=O)C[C@@H]21 1094620215 UMNRSNMCBTUKGL-XPABHHOTSA-N 322.430 -0.025 30 20 DBED N#Cc1cncc(NCC2CCN(C(=O)CNC(N)=O)CC2)n1 1095254145 KMRJGTXFXUWGTH-UHFFFAOYSA-N 317.353 -0.333 30 20 DBED N#Cc1nc(=N[C@H]2CCCN(C(=O)CCNC(N)=O)C2)cc[nH]1 1095295877 LHLQFZYKGJXSDB-JTQLQIEISA-N 317.353 -0.769 30 20 DBED C[C@@H](CC(N)=O)C(=O)N[C@@H]1CCCN(c2nccnc2C#N)C1 1096218934 QFINBCBVJABZKB-WDEREUQCSA-N 316.365 -0.055 30 20 DBED N#Cc1ccc(N[C@H](CNC(=O)CNC(N)=O)C2CC2)cn1 1096566629 YVDNRXXQSUDLHE-GFCCVEGCSA-N 302.338 -0.072 30 20 DBED CCn1ncc(C(=O)NC[C@@H](C)N=c2cc[nH]c(C#N)n2)n1 1097810457 PNKPJOGTGVADHX-SECBINFHSA-N 300.326 -0.388 30 20 DBED C=CCCOCC(=O)N1CCC(N(CCO)CC(N)=O)CC1 1098577577 NMEFDTBMQCBBIS-UHFFFAOYSA-N 313.398 -0.650 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)c2cnccn2)[C@@H](O)C1 1099626881 GLXBDCFOPZSCRF-OCCSQVGLSA-N 306.366 -0.156 30 20 DBED CC(C)C#CC(=O)N[C@H]1CCN(CC(=O)N2CCCC2)C[C@@H]1O 1099820279 CMZSNPFDFVMOGJ-GJZGRUSLSA-N 321.421 -0.180 30 20 DBED CCn1ncc(CN2CC[C@@H](NC(=O)C#CC3CC3)[C@@H](O)C2)n1 1099826132 GVEWCWXAXGBZAU-CABCVRRESA-N 317.393 -0.237 30 20 DBED CN(CCNC(=O)CNC(N)=O)c1nc(Cl)c(C#N)s1 1099910680 OHFAMPOPOBUVQL-UHFFFAOYSA-N 316.774 -0.111 30 20 DBED CN(CCNC(=O)C[C@H]1CCCC(=O)N1)c1ccnc(C#N)n1 1100412243 RCQOETRKUULHJK-LLVKDONJSA-N 316.365 -0.041 30 20 DBED COCC1(C(=O)NCC2CC(NCC(=O)NCC#N)C2)CC1 1100505521 GLEIZBSRXQTEOG-UHFFFAOYSA-N 308.382 -0.463 30 20 DBED CCS(=O)(=O)N(C)CC(=O)NCC1CC(NCC#N)C1 1100812451 MPWRXSRFOPGAIQ-UHFFFAOYSA-N 302.400 -0.724 30 20 DBED C#CCOCCC(=O)NCC[C@@H]1CN(CC(=O)NC)C[C@H]1C 1102972467 KGRLZUFXRSKTCS-ZIAGYGMSSA-N 309.410 -0.154 30 20 DBED C[C@H](CNC(=O)CCn1cnnn1)CNc1ccc(C#N)nn1 1104047424 HOUCYMITKAXLJK-JTQLQIEISA-N 315.341 -0.411 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CN(c2cncc(C#N)n2)CCO1 1104302544 XOALSBBZLMLNLD-ZYHUDNBSSA-N 300.322 -0.171 30 20 DBED N#Cc1nccnc1NC[C@@H](O)CNC(=O)c1cc[n+]([O-])cc1 1105715510 VQXZPPMRPIFCOE-LLVKDONJSA-N 314.305 -0.816 30 20 DBED CC(=O)N[C@@H](C)C(=O)NC[C@H](O)CNc1ccc(C#N)cn1 1105734656 AYELJHQPZZMCEL-JOYOIKCWSA-N 305.338 -0.633 30 20 DBED Cc1nnc(CC(=O)NC[C@@H](O)CNc2cncc(C#N)n2)o1 1105814944 AYNXRDUQFGODDG-JTQLQIEISA-N 317.309 -0.829 30 20 DBED CC[C@@H](C(=O)NC[C@H](O)CNc1nc(C)cc(C#N)n1)N(C)C 1105926343 SQJCJGGCMVLKRS-STQMWFEESA-N 320.397 -0.114 30 20 DBED CCN(C)CCC(=O)NC[C@H](O)CN=c1cc(C)[nH]cc1C#N 1105944731 YDVVGLUNRRKCAO-CQSZACIVSA-N 319.409 -0.086 30 20 DBED Cc1cc(=NC[C@@H](O)CNC(=O)[C@@H]2[C@H]3COC[C@H]32)c(C#N)c[nH]1 1106063299 YISNYJQUTMNBJQ-CXTNEJHOSA-N 316.361 -0.535 30 20 DBED Cc1nsc(NC[C@@H](O)CNC(=O)C2(C(N)=O)CC2)c1C#N 1106097846 NDWZWUWTLYMBHO-MRVPVSSYSA-N 323.378 -0.522 30 20 DBED C[C@H](CCNc1ccc(C#N)cn1)NC(=O)Cn1ncnn1 1106454503 MDWUGTSOOBQBKM-SNVBAGLBSA-N 300.326 -0.053 30 20 DBED C[C@H](CCN=c1cc[nH]cc1C#N)NC(=O)Cn1ncnn1 1106454656 PVTKEWNBXXBLIC-SNVBAGLBSA-N 300.326 -0.631 30 20 DBED C[C@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)[C@H]1CCCNC1=O 1106471155 RXEDRMCDZXRHBO-MNOVXSKESA-N 316.365 -0.397 30 20 DBED N#Cc1nc(=NC/C=C/CNC(=O)[C@H]2CCC(=O)N2)cc[nH]1 1107115890 SYYIADCIDPTTCB-TXXBHVLJSA-N 300.322 -0.867 30 20 DBED Cc1nnc(CC(=O)NC/C=C/CN=c2cc[nH]c(C#N)n2)o1 1107151551 NTJWXVSMMZVIFN-NSCUHMNNSA-N 313.321 -0.211 30 20 DBED N#Cc1nc(=NC/C=C\CNC(=O)[C@H]2CCCNC2=O)cc[nH]1 1107389620 NISOGJICUKHBIO-RFMOXSJOSA-N 314.349 -0.619 30 20 DBED CN1CC[C@H](N2CCO[C@](C)(CNC(=O)C#CC3CC3)C2)C1=O 1107932432 KMSYZEDGPHXPON-WMLDXEAASA-N 319.405 -0.162 30 20 DBED CC#CCN1CCO[C@](C)(CNC(=O)c2cc(=O)n(C)cn2)C1 1108005237 NQZRGZCSCQWXKV-MRXNPFEDSA-N 318.377 -0.376 30 20 DBED C[C@@]1(CNC(=O)c2nc3ncccn3n2)CN(CC#N)CCO1 1108293250 CMDFPKOLKYBQBI-CQSZACIVSA-N 315.337 -0.531 30 20 DBED C=CCOCCN1CCO[C@@](C)(CNC(=O)Cc2nc[nH]n2)C1 1108335103 WRTRIDFFDIYFLJ-HNNXBMFYSA-N 323.397 -0.243 30 20 DBED C=CCN1CCO[C@](C)(CNC(=O)C[C@H]2CC(=O)NC2=O)C1 1108447597 WLUCXEWCLWSCGH-XHDPSFHLSA-N 309.366 -0.568 30 20 DBED C#CCCN1CC(N2C[C@H](NC(=O)CCCOC)CC2=O)C1 1108513155 BSJJJWRTVXMOSU-CYBMUJFWSA-N 307.394 -0.162 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)COCC(F)F)CC2=O)C1 1108558497 GRMUGTVQDDTMPU-SNVBAGLBSA-N 315.320 -0.697 30 20 DBED C=CCOCC(=O)N[C@H](C)CN(C)c1ccc2nnnn2n1 1108866832 FAIZFJOVLKLQOU-SNVBAGLBSA-N 305.342 -0.337 30 20 DBED N#Cc1ccc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)C2(C(N)=O)CC2)cn1 1109739908 IBVYAPGOLQFWFW-ICCXJUOJSA-N 311.345 -0.088 30 20 DBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cnns1 1110325083 SODYWLOHCLUICN-BBBLOLIVSA-N 320.378 -0.487 30 20 DBED C[C@@H](C(=O)NC(N)=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C#CC1CC1 1110543576 YDVWNWXWBOBFPW-SQNXGDPESA-N 318.377 -0.295 30 20 DBED CSCC(=O)NC[C@]1(O)CCN(c2ccnc(C#N)n2)C1 1111031207 DFIRADBWYVDFNE-CYBMUJFWSA-N 307.379 -0.231 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1112721264 XIHJESHVQMYUDV-OCCSQVGLSA-N 313.361 -0.079 30 20 DBED C[C@H](CNC(=O)CCn1cnnn1)N(C)c1ccnc(C#N)n1 1113686042 PVKKPFAKUQYOJI-SNVBAGLBSA-N 315.341 -0.634 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)CCSC)[C@H]2C1 1113844667 PQHMWLBNYFROET-NMKXLXIOSA-N 309.435 -0.076 30 20 DBED N#Cc1c[nH]c(C(=O)NC2[C@H]3CN(CCOCCO)C[C@H]23)c1 1114103801 QBBIJKIZQJRHKK-RYUDHWBXSA-N 304.350 -0.445 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1[C@@H]2CN(C[C@H](CC)OC)C[C@@H]21 1114160490 ZGRFRHPBJQBODP-BCUIYNNISA-N 307.394 -0.403 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)CC3(COC)CC3)[C@H]2C1 1114261023 XHLXXILZDODYGM-VIKVFOODSA-N 319.405 -0.401 30 20 DBED COC(=O)N1CCN(C(=O)C(=O)NCC(C)(C)CC#N)CC1 1118040584 AQTWXBMFWNMMAQ-UHFFFAOYSA-N 310.354 -0.047 30 20 DBED N#Cc1cncc(N[C@H](CO)CNC(=O)C[C@@H]2CCCO2)n1 1121099682 KXKTXZRWHMYHNX-RYUDHWBXSA-N 305.338 -0.194 30 20 DBED N#Cc1cnc(N[C@@H](CO)CNC(=O)c2c[nH]c(C#N)c2)cn1 1121353485 RLQMGPNYZJKYDN-GFCCVEGCSA-N 311.305 -0.249 30 20 DBED C=CCO[C@@H](C)C(=O)NC[C@H](CO)Nc1cnc(C#N)cn1 1121749023 KKOBJNJMNGWEHP-CMPLNLGQSA-N 305.338 -0.172 30 20 DBED Cc1conc1C(=O)NC[C@@H](CO)Nc1cnc(C#N)cn1 1121976633 CTQVNDSQGQQONZ-JTQLQIEISA-N 302.294 -0.153 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)c1ccoc1C 1123282342 UWLFVMQRXMRIAE-UHFFFAOYSA-N 308.338 -0.081 30 20 DBED CN(C[C@H](O)CNc1cnc(C#N)cn1)C(=O)c1cc[nH]n1 1124046668 PDRYHIPTXNZWNR-SNVBAGLBSA-N 301.310 -0.384 30 20 DBED Cc1nc(NC[C@H](O)CN(C)C(=O)[C@H](C)C#N)nc(N(C)C)n1 1124190225 FEKDJGVGGSLKMM-KOLCDFICSA-N 321.385 -0.363 30 20 DBED C=CCOCC(=O)N(C)C[C@H](O)CNc1cncc(C#N)n1 1124196437 LXFKTEOXWHAOJS-GFCCVEGCSA-N 305.338 -0.218 30 20 DBED Cc1nonc1C(=O)N(C)C[C@H](O)CNc1ccc(C#N)nn1 1124399104 ISFOPHHGLMRGQK-SNVBAGLBSA-N 317.309 -0.415 30 20 DBED C[C@H](C#N)C(=O)NCCN[C@@H]1CCN(c2ccn(C)n2)C1=O 1124902924 NTQVTZNGMJBUJJ-GHMZBOCLSA-N 304.354 -0.609 30 20 DBED COC[C@@H](C)C(=O)N(C)C[C@@H](O)CN(C)c1nccnc1C#N 1124988080 GOEIUCLCWUMUIC-NEPJUHHUSA-N 321.381 -0.114 30 20 DBED COc1cccc(F)c1C(=O)NCCNCC(=O)NCC#N 1127934040 JHWYXKCVMOIPAL-UHFFFAOYSA-N 308.313 -0.207 30 20 DBED C#CCN1CCn2ncc(CNC(=O)C[C@@H]3CCNC3=O)c2C1 1128376315 HRGVEPYQEJURDR-LBPRGKRZSA-N 315.377 -0.526 30 20 DBED CC#CCN1C[C@H]2C[C@H]3CN(C(=O)CC(=O)N(C)C)C[C@@]3(C1)O2 1131274105 PJNDSZJJTGEZND-JJRVBVJISA-N 319.405 -0.210 30 20 DBED C#CCNC(=O)CN1CC[C@@]2(C1)CN(C(=O)COC)C[C@@H](C)O2 1131614845 BPOWNNVMVFWIBW-CZUORRHYSA-N 323.393 -0.926 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](C)O[C@@]2(CCN(CC#C)C2)C1 1131654299 YVOCQMJSCAPYMF-RHSMWYFYSA-N 317.389 -0.549 30 20 DBED C#CCN1CC[C@@]2(C1)CN(C(=O)COCCN(C)C)C[C@@H](C)O2 1131692781 KQYZZPNSDLSMQA-NVXWUHKLSA-N 323.437 -0.110 30 20 DBED C=CCNC(=O)CN1CCN([C@@H]2CCCN(C(C)=O)C2)C(=O)C1 1131704730 ZTOKUBGSSFLJFU-CQSZACIVSA-N 322.409 -0.556 30 20 DBED C[C@H]1CC[C@H](NC(=O)Cc2cc[nH]n2)CN1CC(=O)NCC#N 1131931754 XMFYEQFMPWBCPW-AAEUAGOBSA-N 318.381 -0.439 30 20 DBED COCC#CCN1C[C@H](NC(=O)CCn2cnnn2)CC[C@@H]1C 1132380264 HRAVXKGKWHFNLV-UONOGXRCSA-N 320.397 -0.318 30 20 DBED C[C@H](Oc1cccnc1)C(=O)NCCNCC(=O)NCC#N 1133632583 WERBTKDBXPQVGI-NSHDSACASA-N 305.338 -0.806 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)c1cc(C)n(C)n1 1133829816 IIJHGSSICMSDMW-NEPJUHHUSA-N 319.409 -0.036 30 20 DBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCN[C@@H]1CCC(=O)NC1=O 1135060898 KPEQAEDLBJPGIV-SCRDCRAPSA-N 323.393 -0.131 30 20 DBED CC#CCN[C@@H](C)C[C@@H](C)NC(=O)CS(=O)(=O)N(C)C 1136062927 IQJWVIAXDAHGRL-NWDGAFQWSA-N 303.428 -0.226 30 20 DBED Cn1nncc1CN1CCCO[C@H](CNC(=O)C#CC2CC2)C1 1149694169 JNYQYLIUZFTDBJ-OAHLLOKOSA-N 317.393 -0.064 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)CCCC(N)=O 1153472695 LMUYVTNDHQXBNA-UHFFFAOYSA-N 311.386 -0.890 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCCNCc1cnn(CC)n1 1160197686 CSWFYRAYEJJLPG-HNNXBMFYSA-N 318.425 -0.009 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 1162808740 HPIIPWUMSVIURG-KCQAQPDRSA-N 307.394 -0.353 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@@H]1CCC[C@H](N(C)C)C1 1171161590 OXZLPSOMFLCTFV-CABCVRRESA-N 322.453 -0.048 30 20 DBED C#CCCNCCCNC(=O)C[C@@]1(C)CCS(=O)(=O)N1 1174667685 YQTGVXUJTNESAM-CYBMUJFWSA-N 301.412 -0.423 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)CNC(=O)CC)C1 1181690889 VOPPTWOEJZNWLM-NWDGAFQWSA-N 310.398 -0.606 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)Cn2cncc2C)C1 1184310435 RMFFXDFWESZQFH-CYBMUJFWSA-N 305.382 -0.316 30 20 DBED N#CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3cc[nH]n3)[C@@H]2C1 1186930017 DULLVOIRSXXYAQ-CMPLNLGQSA-N 302.338 -0.804 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)[C@@H]2CCN(C)[C@@H]2C)C1 1190238293 JZTVUIHWRZHEBB-RBSFLKMASA-N 320.437 -0.391 30 20 DBED C#CCC1(C(=O)N2CC[C@H](N(C)CC(=O)NC(N)=O)C2)CCC1 1190603979 MFLASHOSHULJCG-LBPRGKRZSA-N 320.393 -0.092 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)C[C@](C)(O)C2CC2)C1 1192306408 INFHUOOKPJLNMU-FMKPAKJESA-N 312.410 -0.099 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)[C@]2(C)CCNC2=O)C1 1192327267 YSYYXFCPHZRANF-MLGOLLRUSA-N 322.409 -0.653 30 20 DBED C=CCCOCC(=O)N1CC[C@@H](N(C)Cc2nnn(C)n2)C1 1194381749 MTORIRMMXNJCLR-GFCCVEGCSA-N 308.386 -0.165 30 20 DBED N#CCNC(=O)CN1CCCN(C(=O)C[C@H]2CCCO2)CC1 1194970492 BYVPOIJRBATWAK-CYBMUJFWSA-N 308.382 -0.270 30 20 DBED C=CCNC(=O)[C@H](C)N1CCCN(C(=O)CC(=O)NCC)CC1 1195588252 DPZBXMZAKWTFGV-ZDUSSCGKSA-N 324.425 -0.262 30 20 DBED C[C@@H](NC(=O)CC1CCCC1)C(=O)N[C@@H]1CN(CC#N)C[C@H]1O 1196926199 TZWKVQRJBUTSOU-MRVWCRGKSA-N 322.409 -0.244 30 20 DBED C[C@H]1COCC[C@H]1C(=O)N1CCCN(CC(=O)NCC#N)CC1 1197076329 FLXIGKHANHCIIP-UONOGXRCSA-N 322.409 -0.167 30 20 DBED C=CCCCN1C[C@@H](O)[C@H](NC(=O)CS(=O)(=O)C(C)C)C1 1198736461 SZSBLVQRPMRURU-CHWSQXEVSA-N 318.439 -0.063 30 20 DBED Cc1cccn(CC(=O)N2CCCO[C@H](CNCC#N)C2)c1=O 1200502035 VCFFUUZKRMDKGR-CQSZACIVSA-N 318.377 -0.113 30 20 DBED C#CCNC[C@H]1CN(C(=O)[C@H](C)N2C(=O)CCC2=O)CCCO1 1200635901 XMCQRXAMKKRVER-STQMWFEESA-N 321.377 -0.636 30 20 DBED C=CCn1cc(C(=O)N2CCC(NC[C@@H](O)COC)CC2)nn1 1202827115 RUMZGXBUZYBETN-CYBMUJFWSA-N 323.397 -0.334 30 20 DBED COCCCC(=O)N1CCC(CNCC(=O)NCC#N)CC1 1204629958 KIDWIXJDKHRXIY-UHFFFAOYSA-N 310.398 -0.119 30 20 DBED Cn1cc(C(=O)N2CCC(CNCC#N)CC2)c(=O)n(C)c1=O 1206459943 PWEAFWNTODNIDE-UHFFFAOYSA-N 319.365 -0.951 30 20 DBED N#CCNCC1CCN(C(=O)CNC(=O)C2CCOCC2)CC1 1206628432 NFAOALQDGLNIDN-UHFFFAOYSA-N 322.409 -0.119 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)CC[C@H]2CCOC2)[C@H](C)C1 1206865775 FLQPALDVGLOMEQ-QLFBSQMISA-N 321.421 -0.011 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(Cc2nnnn2C)C[C@H]1C 1206914812 SBKJLUDXZZMAOM-JTNHKYCSSA-N 308.386 -0.526 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCCN(C(=O)c2ncn(C)n2)C1 1207983266 NFFPOTYTKUDDNE-RYUDHWBXSA-N 318.381 -0.853 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCCN(C(=O)c2cnn[nH]2)C1 1208486233 GTSLZLOELVIVHT-MNOVXSKESA-N 304.354 -0.863 30 20 DBED COCC#CCN[C@H]1CCCN(C(=O)CCN2CCOCC2)C1 1210147069 ZCIYYMZQYRMVKQ-INIZCTEOSA-N 323.437 -0.061 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@](C)(NC(C)=O)C(C)C)[C@H](OC)C1 1213954344 ZKTIHQDNARKCMK-IIAWOOMASA-N 309.410 -0.014 30 20 DBED C#CCCCC(=O)N1CCO[C@@H]2CN(CC(=O)NCC)C[C@@H]21 1217757847 CHKAOKGAQSEDPN-UONOGXRCSA-N 307.394 -0.162 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)[C@@]2(CC(C)C)CCNC2=O)C1 1219827779 MUUNDJNGNNJDKP-DVOMOZLQSA-N 309.410 -0.114 30 20 DBED C=CCCCN1C[C@H](O)[C@H](NC(=O)CS(=O)(=O)N(C)C)C1 1220882354 UDYNZXWCPGYETP-NEPJUHHUSA-N 319.427 -0.995 30 20 DBED CC(C)[C@@H](O)C(=O)N1C[C@H]2CCN(CC(=O)NCC#N)C[C@H]21 1221519773 GYXQCUMNEDJJPJ-YRGRVCCFSA-N 308.382 -0.824 30 20 DBED CC#CCN1CCS(=O)(=O)[C@@H](CCNC(=O)COCC)C1 1230413154 GKKMJBQOIQXFDI-ZDUSSCGKSA-N 316.423 -0.349 30 20 DBED C#CCCCNC(=O)C(=O)N[C@@H]1CCC[C@@H](S(C)(=O)=O)C1 1261095676 SDJXSSFHJUIRRC-VXGBXAGGSA-N 314.407 -0.012 30 20 DBED C[C@@H](C#N)CN(C)C(=O)C(=O)Nc1cnn(CC(=O)N(C)C)c1 1320868800 KAPQMKVIYFFSEV-JTQLQIEISA-N 320.353 -0.472 30 20 DBED C[C@H](C#N)OCCOC(=O)CCn1cc(S(N)(=O)=O)cn1 1321766806 WJOGSEZGDZLCEZ-SECBINFHSA-N 316.339 -0.608 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N[C@H](C)CN1CCCC1=O 1321873819 HTFHBQSWUZISBV-CYBMUJFWSA-N 303.362 -0.401 30 20 DBED C#CCCCNC(=O)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1 1322981667 QHUZKWWYZYOIIO-GFCCVEGCSA-N 303.366 -0.355 30 20 DBED CC1(C)OC[C@H](CNC(=O)C(=O)N2CC[C@](O)(CC#N)C2)O1 1326897029 BHDPMPXSMRMRFJ-IINYFYTJSA-N 311.338 -0.869 30 20 DBED C[C@@H]1COCCCN1C(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1329272868 KACWRPFPRSWVNF-OCCSQVGLSA-N 320.393 -0.177 30 20 DBED C=C[C@H](CO)NC(=O)C(=O)N[C@H](c1cnn(C)c1)C(F)(F)F 1330496329 QUXQSGJSUJCBFH-RKDXNWHRSA-N 320.271 -0.197 30 20 DBED COC(=O)c1cn(CC(=O)NC2(C#N)CCN(C)CC2)nn1 1330677585 HKCVWKQXCUBGQO-UHFFFAOYSA-N 306.326 -0.831 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CC[C@H](C)[C@H](CO)C2)nn1 1331085639 NQZOWDUUOIPZIV-RYUDHWBXSA-N 321.381 -0.443 30 20 DBED C[C@H]1COCCN(C(=O)C(=O)N2CCN(CCC#N)CC2)C1 1335011265 FXJYMYRNWULHFA-CYBMUJFWSA-N 308.382 -0.461 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N1CC[C@@H](C(=O)OC)[C@H]1C 1336593809 CZQUYGRNOITFFQ-JHJVBQTASA-N 324.377 -0.059 30 20 DBED C#CCN1CCN(c2nnc([C@@]3(C)CNC(=O)C3)n2C)CC1 1341790138 SCYGFTBEDQGTSR-OAHLLOKOSA-N 302.382 -0.652 30 20 DBED C[C@@H]1COCCN1C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1343835751 NHSSTYMBESDQTD-JBEXSADBSA-N 308.338 -0.057 30 20 DBED CC#CC[C@H](CO)NC(=O)NCCN1CCC2(C1)OCCO2 1349066628 RPUFZLYBCSDXIO-CYBMUJFWSA-N 311.382 -0.491 30 20 DBED C#CCOCCC(=O)NS(=O)(=O)C1CCN(C(C)=O)CC1 1350321395 JEAIGQJQARRHDM-UHFFFAOYSA-N 316.379 -0.517 30 20 DBED CC[C@H](C)[C@@](C)(O)CNC(=O)Cn1cc(C#N)c(O)nc1=O 1361970734 NQTIKGSSVSNARP-XPTSAGLGSA-N 308.338 -0.266 30 20 DBED CC[C@@]1(O)CCCN(C(=O)Cn2cc(C#N)c(O)nc2=O)C1 1362760720 QLRVGWRZVLAQNL-CQSZACIVSA-N 306.322 -0.416 30 20 DBED C=C(Cl)CNC[C@H]1CN(C(=O)[C@@H]2CCC(=O)N2)CCO1 1380909165 HZYBJRKQNKMHTG-QWRGUYRKSA-N 301.774 -0.166 30 20 DBED COC(=O)NCC(=O)N(C)C[C@H](C)NC(=O)c1ccc(C#N)[nH]1 1383660290 FUWTWMULMMQJEX-VIFPVBQESA-N 321.337 -0.181 30 20 DBED C[C@H](C#N)C(=O)NCCN(C(=O)C[C@H]1CCC(=O)N1)C1CC1 1387525034 AMPUXEARKJDGJN-GHMZBOCLSA-N 306.366 -0.078 30 20 DBED COCCN(CCNC(=O)[C@@]1(F)CCOC1)C(=O)[C@@H](C)C#N 1396152103 KXRZYHAGDDERCF-SMDDNHRTSA-N 315.345 -0.134 30 20 DBED CC(=O)NCC(=O)NC[C@@H](NC(=O)c1cc(C#N)c[nH]1)C(C)C 1399541342 WLABWEXJAAFPED-CYBMUJFWSA-N 319.365 -0.107 30 20 DBED CO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1NC(=O)CCc1cn[nH]c1 1406352478 NJYNJYMMQRKXRK-CYZMBNFOSA-N 319.365 -0.156 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C[C@@H](O)Cc2ccccc2)C1 1407398454 NXEBYGAEDRZQOK-HIFRSBDPSA-N 317.389 -0.087 30 20 DBED CNC(=O)CN1CCC(NC(=O)[C@@H](C)n2cnc(C#N)n2)CC1 1412379811 ASXNHZJIELNBAB-SNVBAGLBSA-N 319.369 -0.963 30 20 DBED C[C@@H](CNC(=O)Cn1cc(C#N)c(O)nc1=O)Cn1ccnc1 1412584300 MAQZDUCNFVYWJW-JTQLQIEISA-N 316.321 -0.530 30 20 DBED C=C(Cl)CN1CC[C@@H]1CNC(=O)CS(=O)(=O)CCOC 1420845173 VZGBHDKIQHAVQT-LLVKDONJSA-N 324.830 -0.009 30 20 DBED CCc1nn(C)cc1C(=O)NC[C@H](O)CNC(=O)[C@H](C)C#N 1431553736 UJNGYVUBEIXRCM-NXEZZACHSA-N 307.354 -0.651 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1cccn2ccnc12 1431574240 VJRWZCQBUIVSKQ-WDEREUQCSA-N 315.333 -0.299 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1cccc2ncnn12 1433326898 GPCXZXDKFKSKFJ-VHSXEESVSA-N 316.321 -0.904 30 20 DBED Cc1onc(CC(=O)NCC2CN(S(C)(=O)=O)C2)c1C#N 1433931155 OQUYXKMNTDIYCK-UHFFFAOYSA-N 312.351 -0.595 30 20 DBED C[C@@H](C#N)C(=O)NC1CN(C(=O)CCn2ccccc2=O)C1 1456397294 RJPUQOMVHBFODX-NSHDSACASA-N 302.334 -0.275 30 20 DBED CON=CC(=O)N[C@H]1CCCC[C@@H]1Cc1nn(C)c(=O)n1C 1550475685 MUBBIMBIQYGZKE-MNOVXSKESA-N 309.370 -0.032 30 20 DBED C=CCn1cc(C(=O)N(C)[C@@H]2CCN(C[C@@H](O)COC)C2)nn1 1567924069 LJAXGIZFCGKNKD-CHWSQXEVSA-N 323.397 -0.382 30 20 DBED CC(C)C#CC(=O)N1CC[C@@H](NCC(=O)NCc2cnn[nH]2)C1 1575318664 NTRFJBBCPNIYNK-GFCCVEGCSA-N 318.381 -0.729 30 20 DBED N#C[C@@H]1CNCCN1C(=O)c1ccc(S(N)(=O)=O)cc1F 1580044870 LGLVZBUPVHSKLN-MRVPVSSYSA-N 312.326 -0.589 30 20 DBED C#CC1(O)CN(C(=O)N[C@@H]2CCCn3nc(C(=O)O)cc32)C1 1588379320 DFIZSMIYUYHFGC-SECBINFHSA-N 304.306 -0.194 30 20 DBED C=CCOC[C@@H](NS(=O)(=O)c1c[nH]nc1Cl)C(=O)O 1588866551 OQMDVHMWXIAVQE-ZCFIWIBFSA-N 309.731 -0.003 30 20 DBED CCO[C@@H]1COC[C@H]1Nc1cnc(-c2nn[nH]n2)c(C#N)n1 1590821335 BUNKRSXARCCOGX-RKDXNWHRSA-N 302.298 -0.256 30 20 DBED N#Cc1nc(N2C[C@H](O)CC(F)(F)C2)cnc1-c1nn[nH]n1 1592704323 CHZOHGBANZUVCX-ZCFIWIBFSA-N 308.252 -0.265 30 20 DBED Cc1cc(C#N)c(O)nc1C(=O)N[C@@H](CC1OCCO1)C(=O)O 1600073555 RYVQIESYHUESDL-VIFPVBQESA-N 321.289 -0.087 30 20 DBED N#Cc1c(NC(=O)[C@H]2CC[C@@H](C(=O)O)O2)nc2n1CCOC2 1601084180 LTTPSBZYGKPWFY-BDAKNGLRSA-N 306.278 -0.144 30 20 DBED C[C@H]1COCCN1CCn1c(N)nc(-c2nn[nH]n2)c1C#N 1603947498 HZYNJZGNBIGIEB-QMMMGPOBSA-N 303.330 -0.762 30 20 DBED Cc1nn(C)cc1CC(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[nH]1 1606113814 CNRILZZMIIJYLV-UHFFFAOYSA-N 312.297 -0.315 30 20 DBED N#Cc1cccc(NC(=O)Cn2cnc(-c3nn[nH]n3)cc2=O)c1 1606382136 XHNYVMSYJIZGSC-UHFFFAOYSA-N 322.288 -0.066 30 20 DBED C=CCCOCC(=O)N[C@H]1CCCN(Cc2nnn(C)n2)C1 1732092695 QDGREWYCKIBUQV-LBPRGKRZSA-N 308.386 -0.117 30 20 DBED C#CCCN[C@H]1C[C@H](NC(=O)c2coc(S(N)(=O)=O)c2)C1 1752640853 AZCWOGCFCFWNFG-XYPYZODXSA-N 311.363 -0.199 30 20 DBED C#CCCN[C@H]1C[C@H](NC(=O)Cc2ccc(C(N)=O)nc2)C1 1752641597 HHRJPZLHAIPTQD-JOCQHMNTSA-N 300.362 -0.017 30 20 DBED C[C@@H](NC(=O)c1cnn[nH]1)[C@@H]1CCCN(CC(=O)NCC#N)C1 1752836351 MWRIUEXOMRUHKZ-GHMZBOCLSA-N 319.369 -0.725 30 20 DBED C=CCNC(=O)CN1CC[C@H](CNC(=O)[C@@H]2COCCO2)C1 1753118060 DJQRCZRTMBIERE-OLZOCXBDSA-N 311.382 -0.858 30 20 DBED COCC#CCN1CC[C@@H](CCNC(=O)C2CN(C(C)=O)C2)C1 1753326729 OCXNLAVCPTYTRR-OAHLLOKOSA-N 321.421 -0.057 30 20 DBED N#CCNC(=O)CN1CC(NC(=O)CC(F)(F)C(F)F)C1 1753387693 UDMPPYYMSXFGQH-UHFFFAOYSA-N 310.251 -0.283 30 20 DBED CC(F)(F)CC(=O)N1C[C@@H]2C[C@H]1CN2CC(=O)NCC#N 1753424312 SNSBSAIXHVTQFX-UWVGGRQHSA-N 300.309 -0.043 30 20 DBED C#CCCNC[C@@H](O)CNC(=O)c1cccc2nc(O)[nH]c12 1753914634 UZYIGXVTKRZOHB-SNVBAGLBSA-N 302.334 -0.028 30 20 DBED COCC#CCNC[C@H](O)CNC(=O)[C@]12CCC[C@H]1OCC2 1753919562 YQCZXTFMQRQQJG-LZWOXQAQSA-N 310.394 -0.338 30 20 DBED C#CCNC(=O)CNC/C=C/CNC(=O)c1coc(C(N)=O)c1 1754154359 WUNRGLNVKZOUEG-ONEGZZNKSA-N 318.333 -0.997 30 20 DBED C=CCCn1cc(C(=O)N[C@H](C)CNCc2nnn(C)n2)nn1 1754243706 CTWUYBXSLUIIQL-SNVBAGLBSA-N 319.373 -0.714 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC(N(C)C(=O)c2cc(C)ncn2)C1 1754573443 NSZMKEWGEFGQLG-GFCCVEGCSA-N 315.377 -0.321 30 20 DBED C=CCCCN1CC(N(C)C(=O)[C@H]2CCS(=O)(=O)N2)C1 1754587419 MOMRNOHXULFIQA-GFCCVEGCSA-N 301.412 -0.213 30 20 DBED C=C(C)CN1CC(O)(CNC(=O)c2ccn(CCN(C)C)n2)C1 1754767589 SSBZOBNIJNKQKJ-UHFFFAOYSA-N 321.425 -0.203 30 20 DBED C=CCNC(=O)CN1CC(O)(CNC(=O)[C@H](C)c2ccco2)C1 1754774230 IZWJOPHBCXFMMM-GFCCVEGCSA-N 321.377 -0.152 30 20 DBED C#CCNC(=O)[C@@H](C)NCCN(CCO)C(=O)[C@H]1CCC1(C)C 1754889595 URULBLAVHQYSHA-ZIAGYGMSSA-N 323.437 -0.029 30 20 DBED C=C(C)CN1CCN([C@@H]2CCN(C(=O)CNC(=O)NC)C2)CC1 1755019287 IXJBWVINQZBISM-CQSZACIVSA-N 323.441 -0.290 30 20 DBED C#CCNC(=O)CN(C)CCCN(C)C(=O)[C@]1(F)CCOC1 1755042422 NMRBMUHBURIARI-HNNXBMFYSA-N 313.373 -0.355 30 20 DBED COCC#CCN(C)[C@@H](C)CNC(=O)[C@@H]1CCc2nncn2C1 1755329575 ZYXYNMJDFWPOJM-UONOGXRCSA-N 319.409 -0.073 30 20 DBED C=CCCCN1CC(CCO)(NC(=O)CN2CCOCC2)C1 1755332087 PBQWWKOWZAUVSC-UHFFFAOYSA-N 311.426 -0.162 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1[C@H]2CN(C(=O)CC(=O)NC)C[C@H]12 1756197772 ABFGHYAATOPKBZ-HSMVNMDESA-N 323.393 -0.730 30 20 DBED COc1cccnc1C(=O)N[C@H](CO)CNC(=O)C#CC1CC1 1756520370 ZWLMLYQRMBNSKX-LBPRGKRZSA-N 317.345 -0.290 30 20 DBED C=C(C)[C@@H](CC(=O)N(C)C1CC(NC(=O)C(N)=O)C1)OCC 1756741706 BRCJOQAZOLEEML-HTAVTVPLSA-N 311.382 -0.051 30 20 DBED C#CCO[C@H](C)C(=O)N1CC=C(CNC(=O)c2nc[nH]n2)CC1 1756778110 ZGLQOTCCLPYBDI-LLVKDONJSA-N 317.349 -0.269 30 20 DBED C=CCCO[C@@H](C)C(=O)N1CCC2(CN(C(=O)C(N)=O)C2)C1 1756835984 YGPQKDZHJGWZNI-NSHDSACASA-N 309.366 -0.486 30 20 DBED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cncnc3)C[C@@H]21 1790790812 KKXLYNCIEYTIKX-UBHSHLNASA-N 314.345 -0.297 30 20 DBED C[C@@H](S)C(=O)N1CC2(CCCN2C(=O)[C@@H]2CNC(=O)O2)C1 1841650231 CJXGDCYKHRRYTM-BDAKNGLRSA-N 313.379 -0.384 30 20 DBED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC12CN(C(=O)[C@@H](N)CN)C2 1844236652 ZIBBOPXDFPXQPW-NWDGAFQWSA-N 324.425 -0.951 30 20 DBED CNC(=O)CNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 25268790 BTYVCXQGTMBBOV-UHFFFAOYSA-N 324.362 -0.646 30 20 DBED N#Cc1cccc(NC(=O)CN2CCN(C(=O)CO)CC2)c1 89423235 COCXZNJMKXZVDK-UHFFFAOYSA-N 302.334 -0.367 30 20 DBED C[C@H](NC(=O)CN1CCO[C@H](C#N)C1)C(=O)N1CCCCC1 106307659 AVFVPYIDSQAFGF-QWHCGFSZSA-N 308.382 -0.272 30 20 DBED Cn1cc(N2CC[C@H](NS(=O)(=O)CC3(C#N)CC3)C2=O)cn1 165361302 AFSBLCMMVSXOCP-NSHDSACASA-N 323.378 -0.251 30 20 DBED N#Cc1cccc(CS(=O)(=O)NC[C@@H]2CN3CCN2CC3)c1 179058915 WQIJLKGGDWOUKW-OAHLLOKOSA-N 320.418 -0.023 30 20 DBED C#CCNC(=O)c1ccccc1NC(=O)Cn1ncn(C)c1=O 181049876 XNXKUSKZYYZHFJ-UHFFFAOYSA-N 313.317 -0.417 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H]2CCCNC2)C1=O 262509672 KWRCJTAAIYYCRP-SNVBAGLBSA-N 308.338 -0.921 30 20 DBED C[C@H]1CN/C(=N/Cc2ccc(C(=O)N3CCNC(=O)C3)cc2)N1 262655402 LMGMQDQTXVMQSM-NSHDSACASA-N 315.377 -0.304 30 20 DBED N#Cc1ccc(S(=O)(=O)NC[C@@H](CC(=O)O)C(=O)O)cn1 274919181 ARURWNYIFREYDY-SSDOTTSWSA-N 313.291 -0.593 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N1CC[C@@H](S(C)(=O)=O)C1 282411484 YFRHSKIOINJZOE-NXEZZACHSA-N 303.384 -0.494 30 20 DBED C=C[C@H](CO)NC(=O)C(=O)Nc1cccc(OCC(=O)OC)c1 290130868 TWZQAJOEYNHDKU-SNVBAGLBSA-N 322.317 -0.160 30 20 DBED CCOC(=O)CN(CC(N)=O)C(=O)COc1ccc(C#N)cc1 299664268 MDMKAFWCICYGEZ-UHFFFAOYSA-N 319.317 -0.186 30 20 DBED C[C@H](CO[C@@H]1CCOC1)N/C(O)=N/C[C@@H]1CN(C)CCN1C 328600010 CPYUTJVMPKZDQR-MGPQQGTHSA-N 314.430 -0.070 30 20 DBED C[C@@H](N/C(O)=N/CCNS(=O)(=O)N(C)C)c1cnn(C)c1 331240345 PPUZQWVAJASFPG-SECBINFHSA-N 318.403 -0.619 30 20 DBED CN(C)S(=O)(=O)NCCN/C(O)=N/CC[C@H]1CCCCO1 331355815 RCMFPLBHRYKFIW-LLVKDONJSA-N 322.431 -0.155 30 20 DBED O=C(CCNS(=O)(=O)c1ccc(F)cc1)NCC#CCO 339395136 YIAYLBWMUXNUCK-UHFFFAOYSA-N 314.338 -0.394 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)NCCCN(C)CCN(C)C 341633867 AHRBQSQMALMFLU-CYBMUJFWSA-N 319.475 -0.204 30 20 DBED CN(CC(=O)Nc1nn[nH]n1)S(=O)(=O)c1ccc(C#N)cc1 342862756 ZXXYNCQDFFBEIC-UHFFFAOYSA-N 321.322 -0.669 30 20 DBED C[C@H]1CO[C@H](CO)CN1C(=O)CNC(=O)c1ccc(C#N)cc1 344236989 ZOFPZQAVJZGSPA-FZMZJTMJSA-N 317.345 -0.104 30 20 DBED CC(=O)NC[C@H]1CN([C@@H](C(N)=O)c2ccc(C#N)cc2)CCO1 344556081 NJKUCIYTPYHEDX-LSDHHAIUSA-N 316.361 -0.078 30 20 DBED C[C@H]1[C@@H](C)N(C(=O)NCCn2cnc(C#N)n2)CC[S@@]1=O 347611735 KZBDKAQRXCRCJG-ULQSSITMSA-N 310.383 -0.299 30 20 DBED C=CCNC(=O)CNC(=O)c1ccc(OCC(N)=O)c(OC)c1 347906210 VYDNMASTAUZZIA-UHFFFAOYSA-N 321.333 -0.409 30 20 DBED CNS(=O)(=O)c1ccc(C(=O)N(CC#N)CC(=O)OC)o1 348806828 YAZBGCMJIZHIED-UHFFFAOYSA-N 315.307 -0.674 30 20 DBED N#Cc1ncn(CCNS(=O)(=O)c2cccc(C(N)=O)c2)n1 352637289 FWBOKJVICXACOF-UHFFFAOYSA-N 320.334 -0.773 30 20 DBED CNC(=O)CC[C@H]1CCCCN1C(=O)NCC(=O)NCC#N 358318334 WESUZHIIOBHUBB-LLVKDONJSA-N 309.370 -0.284 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@@H](C)N(C)[C@H](C)C2)C1=O 358671739 CYTFCTCAGZFIBV-GHMZBOCLSA-N 322.365 -0.486 30 20 DBED N#Cc1c(Cl)cccc1S(=O)(=O)N1C[C@@H](O)[C@H](O)C1 434770028 YCPXVSJBJSKQKT-NXEZZACHSA-N 302.739 -0.062 30 20 DBED COC(=O)[C@@H]1CNC(=O)CN1Cc1cnc2ccc(C#N)cn12 448276724 TXRJBYDUFQWLJK-LBPRGKRZSA-N 313.317 -0.321 30 20 DBED C#C[C@H](CC)NC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 491803484 JOJNFKPCSRKEDG-ZIAGYGMSSA-N 307.394 -0.305 30 20 DBED Cc1cc(C#N)c(=O)n(CC(=O)N2CCCC[C@@H]2C(N)=O)c1 516969646 FBJZNEVDQRIYPO-GFCCVEGCSA-N 302.334 -0.105 30 20 DBED N#C[C@@]1(NC(=O)Cn2c(O)nc3ccccc3c2=O)CCOC1 548468525 PMRJZNNONQFYJQ-HNNXBMFYSA-N 314.301 -0.099 30 20 DBED C=CCn1cc(CNS(=O)(=O)N2CCOC(C)(C)C2)nn1 564878102 SMIXIYAGSTXRQF-UHFFFAOYSA-N 315.399 -0.091 30 20 DBED C=CCC[C@@H]1NC(=O)N([C@H]2CCN(S(C)(=O)=O)C2)C1=O 567999240 LYGZEABCLCQYSU-UWVGGRQHSA-N 301.368 -0.093 30 20 DBED COC[C@](C)(O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 569290591 CKCITNMYKGURFI-HNNXBMFYSA-N 321.381 -0.354 30 20 DBED CC(=O)NCCNC(=O)CNS(=O)(=O)c1cccc(C#N)c1 569321043 XBTNWSVDGZLQSD-UHFFFAOYSA-N 324.362 -0.911 30 20 DBED COC(=O)CN(CC#N)S(=O)(=O)CC(C)(C)C(=O)OC 588892944 MXEZXFCSXGNEQF-UHFFFAOYSA-N 306.340 -0.486 30 20 DBED C=C(C)CN1CCC(NC(=O)C(=O)NC[C@H]2COCCN2)CC1 627386139 GXLKTXLBGWZTHX-AWEZNQCLSA-N 324.425 -0.752 30 20 DBED C=CCN1CC[C@H](N(C)C[C@@H](O)CC2(O)CCOCC2)C1=O 639623755 TUMLJXNMSKRDRO-KBPBESRZSA-N 312.410 -0.002 30 20 DBED C=CCOCCCNS(=O)(=O)c1cnn(CC(=O)O)c1 656724268 PUSOEEVSLHUEOS-UHFFFAOYSA-N 303.340 -0.161 30 20 DBED C[C@H]1C(=O)NCCN1C(=O)NCCNc1ncccc1C#N 730123304 ZELJLALBWDSEFI-JTQLQIEISA-N 302.338 -0.105 30 20 DBED CCS(=O)(=O)CC(C)=NNc1ccc(S(N)(=O)=O)cn1 733744162 BIAKSGSZSRDAJA-UHFFFAOYSA-N 320.396 -0.049 30 20 DBED N#Cc1cccnc1NCCNC(=O)C(=O)N[C@H]1CCOC1 787758858 LHRMWTSNOAPEQG-NSHDSACASA-N 303.322 -0.614 30 20 DBED Cn1cc(C=NN[C@H](CO)c2ccccc2)c(=O)n(C)c1=O 788456388 UOFWZKYDXQCPBI-CYBMUJFWSA-N 302.334 -0.259 30 20 DBED C#C[C@H](NC(=O)C(=O)NCCC(=O)N[C@H](C)CC)[C@@H]1CCCO1 793666550 NRQZGTXYEVOBJF-AGIUHOORSA-N 323.393 -0.296 30 20 DBED C#CCC[C@H](O)CNC(=O)[C@H]1CCCN1C(=O)CNC(C)=O 799079041 NIRSVOMLTYABHJ-QWHCGFSZSA-N 309.366 -0.996 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1)[C@@H]1CCCO1 804732428 NVACKGMPDFYTKZ-ILXRZTDVSA-N 319.405 -0.116 30 20 DBED C=CCONC(=O)COc1nsnc1N1CCOCC1 823421013 IMSLVHBLLMHINQ-UHFFFAOYSA-N 300.340 -0.013 30 20 DBED N#Cc1nc(NC(=O)[C@@H]2[C@@H]3CCCO[C@H]32)[nH]c1-c1nn[nH]n1 826382383 BRJYUGLSWVGENS-MTQIGAJGSA-N 300.282 -0.175 30 20 DBED CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2CC(=O)N2)[C@H](C#N)C1 829693626 CAKRYKRADBVPPN-NXEZZACHSA-N 308.338 -0.154 30 20 DBED CC1=C(C(=O)N2CCO[C@H](C#N)C2)[C@@H](C)n2nnnc2N1C 847452520 UAUFARHEINYNJP-NXEZZACHSA-N 303.326 -0.291 30 20 DBED C=C(Br)CNC(=O)N1CC(NS(C)(=O)=O)C1 875161719 WUJKRVSLZCCBNA-UHFFFAOYSA-N 312.189 -0.162 30 20 DBED CCn1cc([C@H]2NC(=S)NC(C(=O)OC)=C2C(C)=O)nn1 901215160 IUYVVLLENAJJRJ-SECBINFHSA-N 309.351 -0.167 30 20 DBED C#CCN1CCC[C@H](NC(=O)[C@H]2CCCN2S(C)(=O)=O)C1 923590487 YFCRUTSEOFYMTP-QWHCGFSZSA-N 313.423 -0.376 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCN(C(=O)[C@@H](C)OC)C2)nn1 937970501 WVVAWIJSKMHCLD-MNOVXSKESA-N 307.354 -0.170 30 20 DBED C=C(C)CN[C@@H]1CN(C(=O)CN2C(=O)C(=O)N(C)C2=O)C[C@H]1C 939231607 LKOPGMUKEJACOW-GHMZBOCLSA-N 322.365 -0.580 30 20 DBED CCn1nncc1C(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1OC 941701943 RWBMFAYCYOZYKC-HOSYDEDBSA-N 320.353 -0.587 30 20 DBED C[C@H](C#N)C(=O)N1CCCN(C(=O)c2ccc(=O)n(C)n2)CC1 942152884 JRBUDRURNOHLSX-LLVKDONJSA-N 317.349 -0.386 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2CCC[C@@H]2NC(=O)C(N)=O)nc1 946291462 KBGPGHZANGVXNH-NEPJUHHUSA-N 314.345 -0.437 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)Cc1n[nH]c(C)n1)CCO2 949089551 MBWBOOXYGANPSO-UHFFFAOYSA-N 317.393 -0.018 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)CC(N)=O)C1 950261289 ZPIVBUTUAMBCSM-STQMWFEESA-N 320.393 -0.933 30 20 DBED C=CCn1cccc1C(=O)NC[C@@H]1CCCN1C(=O)C(N)=O 956186674 AZIKPWUEIXCOPJ-NSHDSACASA-N 304.350 -0.120 30 20 DBED CC(=O)N1CC(C(=O)N[C@]2(C)CCN(C(=O)[C@@H](C)C#N)C2)C1 956862398 UDBGBUZRTHHWGS-ZUZCIYMTSA-N 306.366 -0.268 30 20 DBED C=CCCN1C[C@@H](O)[C@@H](CNC(=O)c2cc3n(n2)CCO3)C1 958135662 QNHZLAIAFMLFKX-WCQYABFASA-N 306.366 -0.126 30 20 DBED C#CCCN1C[C@H](CNC(=O)c2cn3c(n2)COCC3)[C@@H](O)C1 958179223 KCAWIJXTZLTGPO-JSGCOSHPSA-N 318.377 -0.541 30 20 DBED C=C(Cl)CN1C[C@H]2[C@H](NC(=O)c3cn(C)c(=O)nc3O)[C@H]2C1 962531049 BQLWKLJMEHFGOI-JZYVYDRUSA-N 324.768 -0.102 30 20 DBED Cc1noc(C)c1CC(=O)N[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1O 962991095 BTCHHMHXORNZGJ-WQHBLYJGSA-N 320.349 -0.318 30 20 DBED CCn1ncc(C(=O)NC[C@H]2COCCN2C(=O)[C@H](C)C#N)n1 964181169 QSIFIFQKFIGSPR-MNOVXSKESA-N 320.353 -0.585 30 20 DBED CC#CCN1CC[C@H](C)[C@H](NC(=O)CN2CC(=O)NC2=O)C1 968431725 OSQUZSPUKOGBLE-NWDGAFQWSA-N 306.366 -0.612 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@H](NC(=O)C23CCN(CC2)C3)C1 969089986 HAHRZSPUWNMQEZ-OLZOCXBDSA-N 321.421 -0.018 30 20 DBED C#CCN1CC([C@@H](C)NC(=O)[C@@H]2CCc3nnc(O)n3C2)C1 969991447 FOGXFBGXXAXDJJ-GHMZBOCLSA-N 303.366 -0.384 30 20 DBED C#CCN1CC([C@H](C)NC(=O)C2CC3(C2)NC(=O)NC3=O)C1 970566960 MGWRDBJVLOOFNF-YLTRJXTNSA-N 304.350 -0.956 30 20 DBED CC#CCN1CC([C@@H](C)NC(=O)c2nccnc2C(N)=O)C1 970850567 DCDVBMJXMIXUJF-SNVBAGLBSA-N 301.350 -0.351 30 20 DBED Cn1cccc(C(=O)N2CC[C@@]3(CN(CC#N)CCO3)C2)c1=O 972641940 BXAPZVHZXIVRMC-MRXNPFEDSA-N 316.361 -0.174 30 20 DBED C#CCCN1C[C@@H]2CC[C@H](NC(=O)Cn3cnnn3)C[C@H]2C1 979521491 SLTMJEAFSYHROJ-IHRRRGAJSA-N 302.382 -0.087 30 20 DBED N#Cc1cc(C(=O)N2C[C@@H]3CC[C@H](NC(=O)C(N)=O)[C@H]3C2)c[nH]1 979821814 VJSVHTPHVXAZJB-UWJYBYFXSA-N 315.333 -0.662 30 20 DBED N#Cc1ccc(C(=O)N2CCCN([C@H]3CCNC3=O)CC2)[nH]1 980991302 JUBMHRZLSIXJLK-ZDUSSCGKSA-N 301.350 -0.077 30 20 DBED N#CCN1CCCN(C(=O)CN2CCCCS2(=O)=O)CC1 981626738 WIDMMNOPURCTGG-UHFFFAOYSA-N 314.411 -0.530 30 20 DBED N#Cc1ccc(C(=O)NC2CN(C(=O)[C@H]3CC[C@H]3C(N)=O)C2)[nH]1 990868075 IMUKHEXUPPWOSM-MNOVXSKESA-N 315.333 -0.662 30 20 DBED C=C[C@@](C)(CC)C(=O)N1CC(NC(=O)Cn2cnnc2O)C1 990940823 DIIFKMQVVGCNIV-AWEZNQCLSA-N 307.354 -0.087 30 20 DBED N#CCN1CC[C@]2(NC(=O)CN3CCOCC3=O)CCC[C@H]12 991067768 MXJWFYQQHQHEGC-SWLSCSKDSA-N 306.366 -0.518 30 20 DBED C=CCCn1cc(C(=O)N2CC[C@H](NC(=O)CC)[C@@H](O)C2)nn1 991145038 XTZAWRJSIOXPLU-AAEUAGOBSA-N 321.381 -0.044 30 20 DBED C#CCN[C@@H]1CCC[C@H]2CN(C(=O)Cn3ncn(C)c3=O)C[C@H]21 992739781 LCEQBPWCLKMEGT-BFHYXJOUSA-N 317.393 -0.568 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)c3cnnn3C)C[C@]2(C)C1 992844535 NQPMXVGKUFECIN-RWSFTLGLSA-N 316.365 -0.105 30 20 DBED CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N2CCC(NCC#N)CC2)O1 996989948 BAAVJPPIBNPWLI-QWHCGFSZSA-N 308.382 -0.274 30 20 DBED C#Cc1cncc(C(=O)NC2CN(C(=O)[C@@H]3COCCO3)C2)c1 999302010 GPDZPGLODDIXJI-AWEZNQCLSA-N 315.329 -0.581 30 20 DBED N#CCN[C@@H]1CCCN(C(=O)C2(n3cnnn3)CCOCC2)C1 1000431557 KBPYNXZHDDBUKS-GFCCVEGCSA-N 319.369 -0.717 30 20 DBED Cc1cc(C)n(CC(=O)NC2CCN(CC#N)CC2)c(=O)n1 1003841704 CEAODFIRHNZHEV-UHFFFAOYSA-N 303.366 -0.036 30 20 DBED Cn1c(C(=O)NCC2CN(C(=O)C#CC3CC3)C2)cccc1=O 1004203612 GEOSAACOPXDGAE-UHFFFAOYSA-N 313.357 -0.013 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)Cn2ncnn2)C1 1007496414 YKZPKCQUPVZDAH-MJVIPROJSA-N 317.353 -0.670 30 20 DBED CC1(C)CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1NC(=O)C(N)=O 1008521180 KOHUYEGTLTXFHI-SNVBAGLBSA-N 303.322 -0.662 30 20 DBED C#CCN1CCC[C@H](NC(=O)Cc2c(C)nc(O)nc2O)C1 1008965386 JSWLKMUILVXPAU-NSHDSACASA-N 304.350 -0.047 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCCN(C(=O)Cn3nccn3)C2)C1 1010830236 MLVKMJKMHPVYAU-LBPRGKRZSA-N 316.365 -0.111 30 20 DBED C=CCN1CC[C@@H](N2CC[C@@H](NC(=O)c3ncn(C)n3)C2)C1=O 1010880613 NRJVJFOFDBYBPM-VXGBXAGGSA-N 318.381 -0.594 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCN([C@@H]3CCCNC3=O)C2)nn1 1015812572 XULKXGNIXPWCFU-DGCLKSJQSA-N 318.381 -0.453 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cn(C[C@H]3CCOC3)nn2)C1 1015916897 SPXATSNVQXFZLX-OLZOCXBDSA-N 303.366 -0.248 30 20 DBED C=CCN[C@H]1CCN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 1019529216 MRPRJRWZHYCEGZ-JTQLQIEISA-N 302.338 -0.552 30 20 DBED C=CCN1CC[C@@H](N[C@H]2CCN(C(=O)[C@@H]3CCC(=O)N3)C2)C1=O 1019679062 MWAOFPUWTDJGJN-RWMBFGLXSA-N 320.393 -0.758 30 20 DBED Cc1nccn1CC(=O)N[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1O 1023800036 QOOFCPNJLPXYBZ-YUSALJHKSA-N 305.338 -0.961 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCC[C@H](N(C)CC(N)=O)C1 1027446567 NRODBSDZCMDKHJ-KBPBESRZSA-N 306.410 -0.508 30 20 DBED C#CCN1[C@H]2CC[C@H]1CN(C(=O)c1cc(=O)n3[nH]cnc3n1)C2 1029551703 IXLUIVBWULFLKH-QWRGUYRKSA-N 312.333 -0.660 30 20 DBED N#CCN1CC(CNC(=O)c2ccccc2OCC(N)=O)C1 1031830048 MWKNGGOYSPFXSP-UHFFFAOYSA-N 302.334 -0.264 30 20 DBED CNC(=O)[C@@H](C)N1CCO[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 1035325255 CTSORPXLPAWHKR-ZYHUDNBSSA-N 319.365 -0.549 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)c2c(C)c(C)nn(C)c2=O)C1 1035465249 DSTWSUHSBQASSA-ZDUSSCGKSA-N 318.377 -0.539 30 20 DBED Cn1ncc2c1C[C@H](C(=O)NC[C@H]1CN(CC#N)CCO1)CC2 1035492250 WBOFWQAUGVPZMT-OCCSQVGLSA-N 317.393 -0.134 30 20 DBED C#CCCN1CCO[C@H](CNC(=O)[C@H]2CCCCC(=O)N2)C1 1035509762 DNTDKDYTQPGDLX-ZIAGYGMSSA-N 307.394 -0.115 30 20 DBED C=C(C)CN[C@@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C[C@H]1C 1036309956 HXHVSTVQANFSRB-VXGBXAGGSA-N 320.397 -0.220 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@]1(O)CCN(C(=O)c2cocn2)C1 1039722689 YCFZCOJLDIGZDA-IAQYHMDHSA-N 321.333 -0.594 30 20 DBED C=CCCOCC(=O)NC[C@]1(O)CCN(C(=O)COCC)C1 1040157014 QQZZQQCMIHFKOM-OAHLLOKOSA-N 314.382 -0.305 30 20 DBED CC(C)(O)CC(=O)N1CC(O)(CNC(=O)CSCC#N)C1 1041569382 WCRBQGILIKREPV-UHFFFAOYSA-N 315.395 -0.906 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)[C@H]2CC2(C)C)C1 1042601703 XUDMVDKLBTVMMX-NWDGAFQWSA-N 308.378 -0.240 30 20 DBED CO[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1NC(=O)c1cocn1 1042776821 UZGVLDGZIJAHSM-ZYHUDNBSSA-N 314.305 -0.030 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)[C@H]2OCC[C@H]2C)C1 1043035880 FZKFGFDYAADCCL-OCCSQVGLSA-N 324.377 -0.859 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)[C@@H](F)CC)C1 1044805222 FCQNCZJJDZFPIY-NSHDSACASA-N 300.330 -0.536 30 20 DBED CC#CCCCC(=O)NCC1(O)CN(C(=O)CC(=O)NC)C1 1044993772 BNEPXISLNXOBOE-UHFFFAOYSA-N 309.366 -0.994 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)Cc2ccco2)C1 1045202003 PUUCLNLFYOLIHZ-UHFFFAOYSA-N 308.334 -0.286 30 20 DBED C=CCCCC(=O)NCC1(O)CN(C(=O)c2cnnn2C)C1 1045451037 IRLMLFXPSJVILL-UHFFFAOYSA-N 307.354 -0.526 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)[C@@H]2CN3CCC2CC3)C1 1045551552 JMBWLJHWVMVYLV-DGCLKSJQSA-N 320.393 -0.823 30 20 DBED N#Cc1nccnc1N[C@H]1C[C@@H](CNC(=O)[C@@H]2CCNC2=O)C1 1046529263 LAHJTAOCXJFWKN-OUAUKWLOSA-N 314.349 -0.209 30 20 DBED Cn1c(O)ncc(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)N(CC#N)C3)c1=O 1047125817 MQZCCNWNMWLQEM-DCAQKATOSA-N 317.349 -0.408 30 20 DBED CN(C(=O)c1cnc2[nH]c(O)nc2c1)[C@H]1CN(CC#N)C[C@@H]1O 1047433977 OWRSBSWLBFIVFR-QWRGUYRKSA-N 316.321 -0.696 30 20 DBED C#CCNC(=O)CC(=O)N(C)[C@H]1CN(C(=O)/C(C)=C\C)C[C@@H]1O 1048712379 RLNZRIIZGUJZEQ-ISGXEFFDSA-N 321.377 -0.878 30 20 DBED C#CCO[C@H](C)C(=O)N(C)[C@H]1CN(C(=O)COCC=C)C[C@@H]1O 1048853093 XXIVIHFTPKXUSC-RDBSUJKOSA-N 324.377 -0.743 30 20 DBED C=CCN1C[C@H]2CN(C(=O)CC[C@H]3NC(=O)NC3=O)C[C@H]2C1 1049207135 UJSYVCQATVVKFV-GRYCIOLGSA-N 306.366 -0.449 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C(C)(C)C)C1 1049513018 MQHHEKIASYVQJT-RYUDHWBXSA-N 323.393 -0.798 30 20 DBED N#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[C@@H](C(N)=O)O1 1049725257 WFBNQLPMYLCKTI-QNWHQSFQSA-N 306.366 -0.392 30 20 DBED C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1CC(=O)NC(=O)N1 1049756035 SKYQZNRPLIBZTE-TUAOUCFPSA-N 306.366 -0.164 30 20 DBED N#CCN1CCC2(CC1)CN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)C2 1050661640 ZXZIEZBSGBAJER-NWDGAFQWSA-N 306.366 -0.533 30 20 DBED C=C(C)CN1CCC[C@H](NC(=O)CN2CCNC(=O)C2)CC1 1052622052 MWQOWRRPKPEHOB-AWEZNQCLSA-N 308.426 -0.035 30 20 DBED CC(=O)N1C[C@@H](N=c2cc[nH]c(C#N)n2)[C@H](c2cncn2C)C1 1052714107 HHXLTMIPRZHKMS-VXGBXAGGSA-N 311.349 -0.070 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC2(CN(Cc3cncn3C)C2)C1 1053193749 SBWDPNAAOUPXHJ-LBPRGKRZSA-N 303.366 -0.007 30 20 DBED C#CCN1CC2(C1)CN(C(=O)[C@H](OC)[C@H]1CCOC1)CCO2 1053358362 PDBNPDTWSNAUDO-UONOGXRCSA-N 308.378 -0.416 30 20 DBED C[C@H]1CN(C(=O)Cc2nc[nH]n2)C[C@H]1CNC(=O)C#CC1CC1 1053480122 UOSHTVQARDGTEG-WCQYABFASA-N 315.377 -0.029 30 20 DBED C#CCN1CC2(C1)CN(C(=O)[C@@H]1CCCC(=O)N1C)CCO2 1053520929 SGGUQMBCTUICFI-ZDUSSCGKSA-N 305.378 -0.456 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)Cc3cnn(C)c3C)CO2)C1 1053824469 ZZQQZUDXPPNXQX-CQSZACIVSA-N 302.378 -0.136 30 20 DBED CC(C)(C(=O)N[C@@H]1COC2(C1)CN(CC#N)C2)N1CCOCC1 1053956483 HKCKWRVOWQXORF-ZDUSSCGKSA-N 322.409 -0.420 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)c3cncc(C(N)=O)c3)CO2)C1 1054010595 UXSZSNAAYWWWOW-CYBMUJFWSA-N 314.345 -0.613 30 20 DBED C[C@H]1CN(C(=O)c2ccc(S(N)(=O)=O)o2)C[C@@H]1NCC#N 1054853259 FJNNVDDFJVVMGZ-IUCAKERBSA-N 312.351 -0.499 30 20 DBED C=CCCC(=O)N[C@@]1(CO)CCCN(C(=O)C2(C(N)=O)CC2)C1 1055824592 XLLYPCHDNJGHNV-HNNXBMFYSA-N 323.393 -0.312 30 20 DBED C=C1CC(C)(C(=O)N2CCC[C@@](CO)(NC(=O)CC(N)=O)C2)C1 1055845592 HKYQNRDQOCPSGB-MRXNPFEDSA-N 323.393 -0.312 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H]2[C@@H]1CCN2C(=O)CCNC(N)=O 1056537335 JHIPDPZVQYLNAR-WOPDTQHZSA-N 321.381 -0.204 30 20 DBED C=CCCCC(=O)NCCN(CCO)C(=O)CNC(=O)OC 1057093917 YGOAXIAPZWIISW-UHFFFAOYSA-N 315.370 -0.364 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)Cc1ncc[nH]1 1057194921 SPTHCQAOKQJCNT-UHFFFAOYSA-N 310.354 -0.908 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)[C@H]1CCNC(=O)C1 1057334484 QPQJXQVOWACRRG-LBPRGKRZSA-N 311.382 -0.584 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)c1ccc(C#N)[nH]1 1057367194 RSBUQYLNLSSOKH-SNVBAGLBSA-N 303.322 -0.403 30 20 DBED Cc1cc(CC(=O)NCCN(CCO)C(=O)C#CC(C)C)n[nH]1 1057516992 GVQZPSMGHMMJTA-UHFFFAOYSA-N 320.393 -0.143 30 20 DBED C=CCn1cc(C(=O)N(CCO)CCNC(=O)C(C)C)nn1 1057625497 DWNJOPOKRNBLAS-UHFFFAOYSA-N 309.370 -0.329 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCN(CCO)C(=O)Cc1ccc[nH]1 1057791964 OJUGQTQKRJNISJ-MRXNPFEDSA-N 323.393 -0.179 30 20 DBED CC(=O)N1CC(C(=O)N[C@@H]2CCN(c3cncc(C#N)n3)C2)C1 1058336420 WGISDPOZTFBDCJ-GFCCVEGCSA-N 314.349 -0.479 30 20 DBED Cc1nc(CC(=O)N[C@@H]2CCN(c3nccnc3C#N)C2)n[nH]1 1058352463 VKKQDQRNXVGUTA-SNVBAGLBSA-N 312.337 -0.288 30 20 DBED Cn1c(C(=O)N[C@@H]2CCN(c3ccnc(C#N)n3)C2)cnc1O 1058507262 BMJIDWCUXWPKPQ-SECBINFHSA-N 313.321 -0.204 30 20 DBED C=CC(C)(C)C(=O)NCCN(CCO)C(=O)[C@H]1C[C@H]1C(N)=O 1058858850 APHCVQJWMHVMTF-MNOVXSKESA-N 311.382 -0.743 30 20 DBED N#Cc1cncc(N2[C@H]3CC[C@H]2CC(NC(=O)C(N)=O)C3)n1 1059510238 LKUPIIDPDOSMPZ-QWRGUYRKSA-N 300.322 -0.550 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1C[C@@H](NC(=O)C[C@H]2CCNC2=O)C1 1059738634 ALAWFOAABBYZFW-RTXFEEFZSA-N 313.361 -0.040 30 20 DBED CNC(=O)NCC(=O)NC[C@H]1CC[C@H](NC(=O)[C@H](C)C#N)CC1 1060815082 JCWZCAIMXRJGRU-IJLUTSLNSA-N 323.397 -0.134 30 20 DBED CCOCC(=O)N1CCOC[C@H]1CNC(=O)c1ccc(C#N)[nH]1 1061508734 QXZUGHLVNJQJKC-GFCCVEGCSA-N 320.349 -0.120 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@H]1COCCN1C(=O)c1cn[nH]c1 1061543889 WUDAYIWMJVOQHQ-IUODEOHRSA-N 322.365 -0.306 30 20 DBED CN(C(=O)Cn1ncnn1)[C@H]1CCN(c2cnc(C#N)cn2)C1 1062980052 IMJVZMJJEDTTQH-NSHDSACASA-N 313.325 -0.928 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(NC(=O)Cn2cncn2)CCC1 1063043644 SWHMTUUZTNERSN-GFCCVEGCSA-N 319.365 -0.529 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)C[C@H]2CCNC2=O)CCC1 1063298214 YQBIJLDTOHNNGB-WDEREUQCSA-N 306.366 -0.173 30 20 DBED N#Cc1ccc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)Cn2nccn2)cn1 1064300655 FLSMWDCXLIUBMP-RIEGTJTDSA-N 309.333 -0.062 30 20 DBED N#Cc1nccnc1N1C[C@H]2C[C@H]1[C@H]2NC(=O)[C@@H]1[C@H]2COC[C@H]21 1064322979 NJIVYHYVSGJPSZ-SAOFPFLTSA-N 311.345 -0.066 30 20 DBED C=CCCC(=O)N1CCO[C@@H](CNC(=O)CN(C)C(C)=O)C1 1064953485 JWGAWJMGTQODFO-ZDUSSCGKSA-N 311.382 -0.226 30 20 DBED C#CCOCCC(=O)N1CCO[C@H](CNC(=O)c2cnco2)C1 1065150756 UVBNCMNGSAWISW-GFCCVEGCSA-N 321.333 -0.328 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)CCn2ccnc2)C1 1065559804 GTGZTQLYIOLRDN-STQMWFEESA-N 319.365 -0.224 30 20 DBED C[C@H](Nc1ncccc1C#N)[C@H]1CN(C(=O)C(N)=O)CCO1 1068243394 IYPDNXYKBICLKD-GXSJLCMTSA-N 303.322 -0.534 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CCC2(CN(C(=O)c3cnon3)C2)O1 1068620200 JBLKUSZBPXCIIV-NXEZZACHSA-N 319.321 -0.281 30 20 DBED CCCN(C)CC(=O)N[C@@H]1COC2(C1)CN(C(=O)[C@H](C)C#N)C2 1068939393 DJBQHTPXIOZZPD-OLZOCXBDSA-N 322.409 -0.026 30 20 DBED C#CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2cnc(C)[nH]2)C1 1069903634 IJDNQADOQPJIKP-KGLIPLIRSA-N 313.365 -0.012 30 20 DBED C=C(C)CN[C@@H]1CN(C(=O)[C@@H]2CCNC2=O)C[C@@H]1n1ccnn1 1070248788 JFVKSCZSATZPDH-UPJWGTAASA-N 318.381 -0.668 30 20 DBED CC#CCN1C[C@H]2C[C@H]3CN(C(=O)[C@H]4CCNC4=O)C[C@@]3(C1)O2 1070835472 KXBJWUTYNPCZML-QDEZUTFSSA-N 317.389 -0.553 30 20 DBED Cc1nonc1C(=O)N1C[C@@H]2C[C@@H]3CN(CC#N)C[C@]2(C1)O3 1070896035 RVDQEXLMOZVGFD-MISXGVKJSA-N 303.322 -0.183 30 20 DBED C=CCCOCC(=O)N1CCC[C@@H](NC(=O)[C@H]2CCNC2=O)C1 1070902786 SWVPHQQPIGOSQR-OLZOCXBDSA-N 323.393 -0.178 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CCCN(C(=O)c2[nH]nnc2C)C1 1071062754 POMKUHGZRQUDMK-NWDGAFQWSA-N 319.365 -0.128 30 20 DBED CNC(=O)CC(=O)N1C[C@H](C)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 1071967881 RRTAOKYGKVDUBR-JOYOIKCWSA-N 317.349 -0.401 30 20 DBED C=CCCC(=O)N[C@H]1CN(C(=O)CN2C(=O)CNC2=O)C[C@H]1C 1072772526 HMESPDFFFRNKBF-MNOVXSKESA-N 322.365 -0.533 30 20 DBED C=CCn1cc(C(=O)N2CC3(CCN(CC(N)=O)C3)C2)nn1 1073043304 SDSYLJUKUJWNPI-UHFFFAOYSA-N 304.354 -0.903 30 20 DBED CC#CCN1CCC2(C1)CN(C(=O)CC[C@@H]1NC(=O)NC1=O)C2 1073412145 CCFIIAQDPNFIDK-LBPRGKRZSA-N 318.377 -0.468 30 20 DBED CCO[C@H](C)C(=O)N1CC(N2CCN(C(=O)[C@@H](C)C#N)CC2)C1 1073597394 YGQQHGMKXFBBGI-QWHCGFSZSA-N 322.409 -0.074 30 20 DBED C=CCCC(=O)N1CC[C@@H](NC(=O)Cn2ncnn2)[C@H](C)C1 1073976785 GOQLJIJNGAEHCP-VXGBXAGGSA-N 306.370 -0.008 30 20 DBED C#CCNC(=O)CC(=O)NCC1(O)CCN(C(=O)CC)CC1 1074372789 HFWJNAKUTREYCP-UHFFFAOYSA-N 309.366 -0.994 30 20 DBED C[C@@H](CCNC(=O)C#CC1CC1)NC(=O)[C@H]1COCCN1C 1076423603 QCYZRPCDRXZYGA-GXTWGEPZSA-N 307.394 -0.259 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3nncn3CC2)C1 1077410934 JPEVHVZUGFTMLM-YNEHKIRRSA-N 303.366 -0.975 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2cnn(C)c2-n2cccc2)C1 1077483934 DRQLKIFKWYDKBZ-ZIAGYGMSSA-N 313.361 -0.381 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC(=O)N2C)C1 1077521760 PJHGPZCBQXQVLV-OUAUKWLOSA-N 301.774 -0.479 30 20 DBED C[C@@H](CCNC(=O)[C@@H]1CCC(=O)N1)NC(=O)CSCC#N 1077637587 LMHIWKJRQBDVOM-UWVGGRQHSA-N 312.395 -0.467 30 20 DBED C#CCNC(=O)CC(=O)N(CC)C1CN(C(=O)COC(C)C)C1 1079644596 LRGYGGBWSOSSJQ-UHFFFAOYSA-N 323.393 -0.390 30 20 DBED CCN(C(=O)C#CC1CC1)C1CN(C(=O)C[C@H]2CCNC2=O)C1 1079739444 UAFSOEJNZKHJQJ-CYBMUJFWSA-N 317.389 -0.015 30 20 DBED CCN(C(=O)C#CC(C)(C)C)C1CN(C(=O)Cn2ncnn2)C1 1079744638 LGDSXPJHGPQVMW-UHFFFAOYSA-N 318.381 -0.218 30 20 DBED CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)c2ccc(=O)n(C)n2)C1 1080416691 QBORETJPGCNSEX-JTQLQIEISA-N 317.349 -0.387 30 20 DBED C=CCCC(=O)N1C[C@H](CNC(=O)Cc2cnn(C)c2)[C@@H](O)C1 1081333389 SKGPIQSDUVAYIW-KBPBESRZSA-N 320.393 -0.136 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)CSCC#N)C[C@@H]1O 1081463302 LGCYLLSYOMFDRR-STQMWFEESA-N 323.418 -0.162 30 20 DBED C#CCOCCC(=O)NC[C@H]1CN(C(=O)CSC)C[C@H]1O 1081484839 CLLBMNVBHRNJDW-NWDGAFQWSA-N 314.407 -0.675 30 20 DBED C=CCOCC(=O)N1CCCC[C@H]1CNC(=O)Cn1cnnn1 1081958081 VAALXQRLTNBVJD-LBPRGKRZSA-N 322.369 -0.627 30 20 DBED C=CCOCC(=O)NC[C@@H]1CCCCN1C(=O)CC(=O)NC 1082026636 RQKYQEGSSUUVPZ-LBPRGKRZSA-N 311.382 -0.178 30 20 DBED Cn1nnc(C(=O)N2CCCC[C@H]2CNC(=O)C#CC2CC2)n1 1082225371 PHXCPXAFNMERDX-LBPRGKRZSA-N 316.365 -0.266 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cc(C(N)=O)co1 1083189969 RNLQHIKQWZUZTL-GXTWGEPZSA-N 317.345 -0.073 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)c2cc(CN(C)C)on2)C1 1083590436 GHYZQUHFBMWNAW-KGLIPLIRSA-N 306.366 -0.466 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)CN3C(=O)NC(=O)C3(C)C)[C@@H]2C1 1084757487 YDYCISZHNVNCGS-VXGBXAGGSA-N 318.377 -0.517 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H]1C[C@H](N[C@H]2CCNC2=O)C1 1086390179 FVCFPACAVPKXNW-AJNGGQMLSA-N 318.421 -0.543 30 20 DBED C=C(Cl)CN1CC[C@@H](NC(=O)c2nccnc2N)[C@H](O)C1 1090145408 QRWCESJCWYVICA-NXEZZACHSA-N 311.773 -0.024 30 20 DBED Cn1nc(C(=O)N[C@H]2CCN(CC#N)C[C@@H]2O)cc1C1CC1 1090307584 BIMAQFIMKGVYFV-FZMZJTMJSA-N 303.366 -0.014 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2cnc3nccn3c2)[C@@H](O)C1 1090431453 YDYNOKHEPSABIR-NEPJUHHUSA-N 300.322 -0.582 30 20 DBED C=CCN1C[C@@H]2CN(C(=O)Cn3cnc(C(N)=O)n3)C[C@]2(C)C1 1091684301 AKUVXKFRBLOOBS-ABAIWWIYSA-N 318.381 -0.657 30 20 DBED C=CCOCC(=O)NC1[C@@H]2CN(c3ccc4nnnn4n3)C[C@@H]12 1093220577 CNRYEQJIDDSLKP-NXEZZACHSA-N 315.337 -0.727 30 20 DBED N#Cc1ccc(N2C[C@@H]3C(NC(=O)CCNC(N)=O)[C@H]3C2)nc1 1093266582 AZWNAHVHTMUPGC-QWRGUYRKSA-N 314.349 -0.438 30 20 DBED C=CCCN1CC(n2cc(CNC(=O)c3cnnn3C)nn2)C1 1094288272 LCHCIGLFVUSOHV-UHFFFAOYSA-N 316.369 -0.231 30 20 DBED Cc1nc[nH]c1C(=O)NCc1cn(C2CN(CC#N)C2)nn1 1094341998 BGWPLGBPESEUPL-UHFFFAOYSA-N 300.326 -0.380 30 20 DBED C[C@@H](CC(=O)NCCCN=c1cc[nH]c(C#N)n1)NC(N)=O 1094594095 XTVGRPXUGZNIIL-VIFPVBQESA-N 305.342 -0.865 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)Cc3ccc[nH]3)CC2=O)C1 1094818436 BTQLSQFXWRHDLR-CYBMUJFWSA-N 300.362 -0.408 30 20 DBED CCN(CCCNC(=O)Cn1ncnn1)c1ccc(C#N)nn1 1095925360 TXORGBSMTNUQJX-UHFFFAOYSA-N 315.341 -0.632 30 20 DBED CCNC(=O)CC(=O)N[C@@H]1CCN(c2nc(C)cc(C#N)n2)C1 1096359574 DKDBUDDTCZFCSK-LLVKDONJSA-N 316.365 -0.122 30 20 DBED CC(C)(C(N)=O)C(=O)N[C@H]1C[C@@H](Nc2nccnc2C#N)C1 1097227493 IUXMSWYPZUJHBO-DTORHVGOSA-N 302.338 -0.081 30 20 DBED C[C@H](CNC(=O)[C@H]1C[C@H]1C(=O)N(C)C)Nc1cncc(C#N)n1 1098269613 OAYUHHGSQUMRRC-ADEWGFFLSA-N 316.365 -0.011 30 20 DBED N#Cc1ccc(N[C@@H]2CCC[C@H](NC(=O)CNC(N)=O)C2)nn1 1098590998 XPBDTOYSLQRYMP-ZJUUUORDSA-N 317.353 -0.144 30 20 DBED C[C@H]1CN(C(=O)Cn2cncn2)CC2(CCN(CC#N)CC2)O1 1098659369 JWBDJNLATLMPRV-ZDUSSCGKSA-N 318.381 -0.116 30 20 DBED C=CCNCc1cn([C@@H]2CCN(C(=O)[C@@H](COC)OC)C2)nn1 1098722149 LJTHXEXCCMDCPJ-ZIAGYGMSSA-N 323.397 -0.012 30 20 DBED C[C@H](CCNC(=O)[C@H]1CN(C)CCO1)Nc1cncc(C#N)n1 1098998784 QAZIVMXIQSBGTL-DGCLKSJQSA-N 318.381 -0.014 30 20 DBED N#CCN1C[C@@H]2CCC[C@]2(NC(=O)CN2CCC(=O)NC2=O)C1 1099109269 NYHAAYRSUMHAOT-NHYWBVRUSA-N 319.365 -0.577 30 20 DBED C[C@@H](CCNC(=O)[C@H]1CCNC1=O)Nc1cncc(C#N)n1 1099617220 SELKXGLWQLKEPN-GXSJLCMTSA-N 302.338 -0.209 30 20 DBED C=C(C)CCC(=O)N[C@H]1CCN(Cc2nnn(C)n2)C[C@@H]1O 1099855962 PXIYBHRJCRBHNK-RYUDHWBXSA-N 308.386 -0.382 30 20 DBED C=CCOCC(=O)NCC1CC(N[C@H](C)c2nnnn2C)C1 1100186649 FBJVWDQYYYGRAR-VOMCLLRMSA-N 308.386 -0.042 30 20 DBED CCNC(=O)NC(=O)CNC1CC(CNC(=O)[C@@H](C)C#N)C1 1100191443 KQHDQXZFXSIHKP-WHXUTIOJSA-N 309.370 -0.524 30 20 DBED C=CCCNC1CC(CNC(=O)CS(=O)(=O)N(C)C)C1 1100931536 NPNLNFZLEQAANK-UHFFFAOYSA-N 303.428 -0.062 30 20 DBED COC(=O)[C@H]1C[C@H]1C(=O)N(C)CCN=c1cc[nH]c(C#N)n1 1101542491 RGRQJAYZUIOPBU-ZJUUUORDSA-N 303.322 -0.550 30 20 DBED C[C@H](NC(N)=O)C(=O)N[C@H]1CC2(CN(CC#N)C2)n2ccnc21 1101623671 IJBYATIRSRCWGN-UWVGGRQHSA-N 317.353 -0.965 30 20 DBED COCC#CCN1C[C@@H](C)[C@H](CNC(=O)C(C)(C)C(N)=O)C1 1102069684 DOFVNPUCBKRKRF-CHWSQXEVSA-N 309.410 -0.168 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)[C@H]1CCNC1=O 1104157456 NBPGMEBPSQUWNH-ZJUUUORDSA-N 302.338 -0.930 30 20 DBED CO[C@H](C)C(=O)NC[C@@H]1CN(c2ccc(C#N)nn2)CCO1 1104293551 XBMCLVGKDQRJSE-ZYHUDNBSSA-N 305.338 -0.295 30 20 DBED Cc1cc(C(=O)NC[C@@H](O)CNc2cncc(C#N)n2)nn1C 1105733136 JKCVHCPMPDVKON-NSHDSACASA-N 315.337 -0.407 30 20 DBED C=CCO[C@H](C)C(=O)NC[C@@H](O)CN=c1cc[nH]cc1C#N 1105892497 YLOSPNHEKNOLLR-YPMHNXCESA-N 304.350 -0.145 30 20 DBED CN1CC[C@@H](CC(=O)NC[C@H](O)CNc2ccc(C#N)nn2)C1 1105914146 POJKMSBOUWETDW-WCQYABFASA-N 318.381 -0.421 30 20 DBED N#Cc1nc(=NC[C@H](O)CNC(=O)CC2=CCOCC2)cc[nH]1 1106078351 AMKHXZMAALBFEL-LBPRGKRZSA-N 317.349 -0.604 30 20 DBED N#Cc1nccnc1NC[C@H](O)CNC(=O)c1n[nH]cc1F 1106083816 UTJOHIHKTXQYKU-ZETCQYMHSA-N 305.273 -0.587 30 20 DBED COC[C@@H](OC)C(=O)NC[C@@H](O)CNc1ncccc1C#N 1106088174 ZXQYRYZXZRSYCZ-NWDGAFQWSA-N 308.338 -0.496 30 20 DBED C[C@@H](CCNc1cnc(C#N)cn1)NC(=O)c1nnn(C)n1 1106520744 NHOZRCYQOXIZRG-QMMMGPOBSA-N 301.314 -0.508 30 20 DBED C#CCNC(=O)CC(=O)N(CC)CCNc1nccc(OC)n1 1106730191 KNVQSPVCRBZPJB-UHFFFAOYSA-N 319.365 -0.115 30 20 DBED C=C(C)CN1CC(n2cc(CNC(=O)Cn3cnnn3)nn2)C1 1107125243 PRLBMQJSNSPIKI-UHFFFAOYSA-N 317.357 -0.986 30 20 DBED C#CCNC(=O)CC(=O)NC/C=C\CN=c1cc[nH]cc1C#N 1107130510 PHHYVLBUCULQJG-ARJAWSKDSA-N 311.345 -0.401 30 20 DBED C[C@H](CNc1cnc(C#N)cn1)NC(=O)[C@@H]1CCNC(=O)C1 1107687000 NSXNXEYOIYRWBL-NXEZZACHSA-N 302.338 -0.209 30 20 DBED C=CCCN1CCO[C@@](C)(CNC(=O)CS(C)(=O)=O)C1 1107786447 YGCCFBVKTXUDCP-ZDUSSCGKSA-N 304.412 -0.186 30 20 DBED C[C@]1(CNC(=O)C(N)=O)CN(Cc2ccc(C#N)cc2)CCO1 1108177257 SABNKLPYVSEBIL-INIZCTEOSA-N 316.361 -0.249 30 20 DBED C=CCN1CCO[C@](C)(CNC(=O)c2cn(C)c(=O)n2C)C1 1108425869 IJZJBUNMDUCXHC-OAHLLOKOSA-N 308.382 -0.270 30 20 DBED C[C@@H](CNc1cnc(C#N)cn1)NC(=O)CCN1CCOCC1 1108442410 NMTWKMHNESFLCM-LBPRGKRZSA-N 318.381 -0.013 30 20 DBED C=C(C)CN1CC(N2C[C@H](NC(=O)[C@H](C)CC(N)=O)CC2=O)C1 1108561033 QIRPWHZEQUEFTD-VXGBXAGGSA-N 322.409 -0.525 30 20 DBED C#CCCN1CC(N2C[C@@H](NC(=O)CN(C)C(C)C)CC2=O)C1 1108592600 ZAHOBFVJKPYUJK-AWEZNQCLSA-N 320.437 -0.249 30 20 DBED C#CCN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCCS(N)(=O)=O)C2 1108752199 ALSUFRXNVKPWNP-XQQFMLRXSA-N 313.423 -0.343 30 20 DBED CC(C)(C)C(=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1109091947 ZFXUBKQFHYSROS-WOPDTQHZSA-N 320.393 -0.037 30 20 DBED Cc1cc(N(C)C[C@H](C)NC(=O)[C@@H]2CNC(=O)N2)c(C#N)cn1 1109210905 KZSWUYSIZWGSSV-JQWIXIFHSA-N 316.365 -0.116 30 20 DBED C[C@@H](CN(C)c1ccnc(C#N)n1)NC(=O)[C@@H]1CCC(=O)NC1 1109305657 SMRICQBNAWEEQE-WDEREUQCSA-N 316.365 -0.185 30 20 DBED N#Cc1cncc(NCCN(CCO)C(=O)Cc2ccon2)n1 1111440956 NZUWXGSNZAIZDM-UHFFFAOYSA-N 316.321 -0.188 30 20 DBED CC(=O)N(C)CC(=O)N(CCO)CCNc1ccc(C#N)nc1 1111441761 FEFZLJRPJCNNLE-UHFFFAOYSA-N 319.365 -0.336 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1COCCN1c1ccc(C#N)nn1 1111663349 UIJSQCRNDOIMNI-JQWIXIFHSA-N 300.322 -0.171 30 20 DBED C=CCOCC(=O)N1CCO[C@H](CN=c2cc[nH]c(C#N)n2)C1 1111946595 DSPGWMNQYRLXFP-GFCCVEGCSA-N 317.349 -0.388 30 20 DBED CN(CCCN(C)c1nccnc1C#N)C(=O)Cn1ncnn1 1112131608 LGAJXQWCNDGMRS-UHFFFAOYSA-N 315.341 -0.680 30 20 DBED COCC(=O)NC[C@H]1CN(c2snc(C)c2C#N)C[C@H]1O 1112693129 XNOGBMQJUMNCBC-GXSJLCMTSA-N 310.379 -0.117 30 20 DBED CC(=O)N1CC(C(=O)N[C@@H](C)[C@@H](C)N=c2cc[nH]c(C#N)n2)C1 1113018179 DEKWUAUSGFKWCA-ZJUUUORDSA-N 316.365 -0.446 30 20 DBED C[C@H](NC(=O)Cn1cncn1)[C@@H](C)N=c1cc[nH]c(C#N)n1 1113030495 BSKSNJHMHMVXOO-ZJUUUORDSA-N 300.326 -0.633 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@]2(C)CCO[C@@H]2C)CC1 1113136540 AOMXJFCLBBQJCG-CZUORRHYSA-N 307.394 -0.305 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CN(C)C[C@@H]2C)CC1 1113345906 JMVIDPOSMGXNRK-UONOGXRCSA-N 306.410 -0.922 30 20 DBED C=C(Cl)CN1CCN(C(=O)CNS(=O)(=O)N(C)C)CC1 1113389610 KGRDQGLFWMOTTA-UHFFFAOYSA-N 324.834 -0.721 30 20 DBED COCC#CCN1CCN(C(=O)[C@@H]2CN(C(C)=O)CCO2)CC1 1113595135 SXKCEHZEDLBQRX-HNNXBMFYSA-N 323.393 -0.972 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3cc(CC)[nH]n3)[C@H]2C1 1113896479 CEJFLCUXUMMWQX-JYAVWHMHSA-N 317.393 -0.066 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3ncoc3C)[C@H]2C1 1113952384 CSVRSRXZFVRBHY-YABSGUDNSA-N 302.334 -0.608 30 20 DBED C=CCOCC(=O)NC1[C@@H]2CN(CCCS(C)(=O)=O)C[C@@H]12 1114050596 GBUHTDBPRGGWPK-VXGBXAGGSA-N 316.423 -0.330 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)c3cn(C)cn3)[C@H]2C1 1114139991 XWIHDUXZOSXBJI-NMKXLXIOSA-N 317.393 -0.229 30 20 DBED O=C(C#CC1CC1)N[C@H]1[C@@H]2CN(Cc3nnnn3C3CC3)C[C@@H]21 1114253729 UDUKHGBTJAMLJV-VIKVFOODSA-N 312.377 -0.032 30 20 DBED C#CCOCCC(=O)N[C@H]1[C@@H]2CN(CCN3CCCC3=O)C[C@@H]21 1114262974 NGCUPJRHVDTDSN-HALDLXJZSA-N 319.405 -0.305 30 20 DBED C=CCN1C[C@H]2C(NC(=O)[C@@H](CCC)S(N)(=O)=O)[C@@H]2C1 1114621758 PVEBUCWUSJSEJX-GMTAPVOTSA-N 301.412 -0.324 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)Cc3cnoc3)[C@@H]2C1 1114727746 YEXSCKZEUBZSIU-CYZMBNFOSA-N 316.361 -0.599 30 20 DBED CCN(CC)S(=O)(=O)CC(=O)NC1[C@@H]2CN(CC#N)C[C@@H]12 1114904578 XCMPEUYTQBSLGS-GHMZBOCLSA-N 314.411 -0.772 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)c3ncccc3F)[C@@H]2C1 1115012838 AECNMYIZTNPHTM-GHMZBOCLSA-N 316.336 -0.370 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@@]3(C)CCOC3)[C@H]2C1 1115015551 GVDSCOGIVSRHHZ-DMEJVMROSA-N 307.394 -0.238 30 20 DBED C[C@@H](CN(C)C(=O)[C@H](C)NC(N)=O)Nc1cnc(C#N)cn1 1115674418 GSVYWWHEYCOLTO-IUCAKERBSA-N 305.342 -0.336 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@H](C)c1ncn(C)n1)[C@@H]1CCCO1 1117580735 GGNHVWDTVXYQMU-VWYCJHECSA-N 305.338 -0.711 30 20 DBED O=C(CNC[C@H]1CCCO1)NCCN/C(O)=C1/N=CC=CC1=O 1118134839 ZJJPRQGTZDDLFE-PHIZWAGYSA-N 322.365 -0.602 30 20 DBED COC[C@@]1(CO)CCN(C(=O)C(=O)Nc2cccc(C#N)n2)C1 1118203401 QEMFEBUOSPJHGV-HNNXBMFYSA-N 318.333 -0.251 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CC[C@H](C2OCCO2)C1)[C@@H]1CCCO1 1119781525 WQCOKERWEJUMKS-AVGNSLFASA-N 322.361 -0.495 30 20 DBED CN1CC[C@H](CC(=O)NC[C@@H](CO)N=c2cc[nH]cc2C#N)C1 1121806679 MWSFBBLZUVTMJA-OCCSQVGLSA-N 317.393 -0.394 30 20 DBED C[C@@H]1CCN(CC(=O)NC[C@H](CO)N=c2cc[nH]cc2C#N)C1 1122528588 VSTQIPPKQDIQAY-TZMCWYRMSA-N 317.393 -0.394 30 20 DBED CN(C[C@@H](O)CNc1ccc(C#N)nn1)C(=O)[C@@]1(F)CCOC1 1124665900 VIJQIQFGTXURFV-SMDDNHRTSA-N 323.328 -0.292 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CC(=O)N(CC)C1 1128678554 AODVMDKHXKYRHP-VXGBXAGGSA-N 310.398 -0.749 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)CCn1ccccc1=O 1128728096 KEXRHALMLWJIKD-ZDUSSCGKSA-N 320.393 -0.365 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)C2(N(C)C)CCC2)C1 1129042940 DVNPCCIRKISTLV-KGLIPLIRSA-N 316.409 -0.263 30 20 DBED CCNC(=O)CCC(=O)N1C[C@H](n2ccnn2)[C@H](NCC#N)C1 1129696457 WRHZYWHNGDRCLZ-NEPJUHHUSA-N 319.369 -0.941 30 20 DBED CC#CCN[C@@H]1CN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C[C@@H]1n1ccnn1 1129970258 FSZNLVGYYVJETO-SEBNEYGDSA-N 315.377 -0.465 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1ncc2ccccn12 1131302007 VXGXHISYCLJQKM-UHFFFAOYSA-N 301.350 -0.044 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)CN(C)CCC)CC1 1131392889 HTIBACMWQCXLAA-UHFFFAOYSA-N 308.426 -0.388 30 20 DBED COc1ccc(C#N)cc1CNCCNC(=O)c1nnn(C)n1 1132523601 QJNJMRZXQRMLPX-UHFFFAOYSA-N 315.337 -0.390 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)CCOCC#C 1134351527 HHYZOYBQLSZZRG-KBPBESRZSA-N 307.394 -0.351 30 20 DBED COCC#CCN[C@@H](C)C[C@@H](C)NC(=O)c1cc(=O)n(C)cn1 1134667103 XYSZTPXOFWNONR-QWHCGFSZSA-N 320.393 -0.083 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)NCCNCC(=O)N1CCCC1 1134812644 ONNHRAQGKUUGGQ-CQSZACIVSA-N 324.425 -0.215 30 20 DBED N#CCNC(=O)CN1CCC2(C1)CN(C(=O)c1ccnnc1)C2 1148333853 BGAWBFKVFIAROF-UHFFFAOYSA-N 314.349 -0.736 30 20 DBED CC[C@@H](C(N)=O)N1CCCO[C@H](CNC(=O)C#CC2CC2)C1 1149701243 QPVLXNOZRQWRPY-KGLIPLIRSA-N 307.394 -0.129 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)C1CCN(C(C)=O)CC1 1150533452 UJGRJYNQNQKIGI-GFCCVEGCSA-N 324.425 -0.359 30 20 DBED C=CCOCCN1CCCO[C@H](CNC(=O)Cn2cncn2)C1 1150698776 BFDRLTXNZISHCC-CQSZACIVSA-N 323.397 -0.312 30 20 DBED CC(C)C[C@H](C(N)=O)C(=O)NC[C@H]1CN(CC#N)CCCO1 1150832005 OZBDOFWVXBABQJ-QWHCGFSZSA-N 310.398 -0.135 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)c1c[nH]cc1C 1151025331 PLYNDZSXQTVOHQ-UHFFFAOYSA-N 307.354 -0.346 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)c1noc2c1COCC2 1151707200 CHRFWPAUSZKYAN-JTQLQIEISA-N 322.365 -0.243 30 20 DBED CC#CCN(CC)[C@H](C)CNC(=O)CN1C(=O)C(=O)N(C)C1=O 1155607183 JTTPIOAUCMBGJW-LLVKDONJSA-N 322.365 -0.743 30 20 DBED Cn1[nH]c(CNCCCNC(=O)c2c[nH]c(C#N)c2)nc1=O 1156841804 RBLKIASCFKCUQL-UHFFFAOYSA-N 303.326 -0.782 30 20 DBED CCS(=O)(=O)NCC(=O)N1CCCC[C@@H]1CN(C)CC#N 1158035927 PVNSLZOEMXUKEF-GFCCVEGCSA-N 316.427 -0.238 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)C[C@@H]2CCNC2=O)C1=O 1159798673 CRIUKZGCHILBMY-QWHCGFSZSA-N 322.409 -0.605 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)c2cnnc(O)c2)C1=O 1160499919 LCBSPLAVESAYOD-LBPRGKRZSA-N 319.365 -0.321 30 20 DBED C=CCNC(=O)CNCCCNC(=O)C1(C(=O)NC)CCC1 1171749286 ZNZZMMPWXIZNLF-UHFFFAOYSA-N 310.398 -0.699 30 20 DBED COCC#CCNCCCC[C@H](C)NC(=O)CCNC(N)=O 1176497159 WJAQHQVSRRRCNT-ZDUSSCGKSA-N 312.414 -0.041 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)c1cn(C)c(=O)n1C 1177107733 GHMLOVLJNOICGQ-NSHDSACASA-N 323.397 -0.876 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)C(C)(C)NC(C)=O)C[C@@H]21 1177108200 ZHLPYBCKQLDBIF-KBPBESRZSA-N 307.394 -0.164 30 20 DBED C[C@@H](C#N)C(=O)NCCCCCCN[C@H](C)C(=O)NC(N)=O 1178058482 FWLGKDNWWVERAV-WDEREUQCSA-N 311.386 -0.004 30 20 DBED O=C(CN[C@@H]1CCN(C(=O)C#CC2CC2)C1)NC[C@H]1CCCO1 1182389735 WBLMRACYAJWGBV-HUUCEWRRSA-N 319.405 -0.115 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)CO[C@@H]2CCOC2)C1 1182514524 SIVBFSSGCPCWRY-CHWSQXEVSA-N 311.382 -0.715 30 20 DBED C[C@H]1CN(C(=O)CN2C(=O)CN(C)C2=O)CC[C@H]1CNCC#N 1185641205 OQHGGPHIRDETGR-RYUDHWBXSA-N 321.381 -0.522 30 20 DBED Cn1nccc1COCC(=O)N1CC[C@H]2CN(CC#N)C[C@H]21 1188329350 LWNLAZZXQMEPON-GXTWGEPZSA-N 303.366 -0.007 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2cc(C)n(C)n2)C1 1189116779 XVNRJYZEFPWHNI-ZDUSSCGKSA-N 317.393 -0.376 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2cccs2)C1 1190750337 HLROAZOPFUEXDY-GHMZBOCLSA-N 309.391 -0.175 30 20 DBED C=CCNC(=O)NC(=O)CN1C[C@@H](O)[C@H](NC(=O)/C(C)=C/C)C1 1192119962 RUKCNPXWHJMLME-VDUSXYPOSA-N 324.381 -0.874 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)c2ccnc(O)c2)C1 1192164573 SEAFJJPXLRLXOA-CHWSQXEVSA-N 305.334 -0.788 30 20 DBED C=CCO[C@H](C)C(=O)N1CC[C@@H](N(C)Cc2nnnn2C)C1 1194397304 SKJSPWZLFQKMFT-VXGBXAGGSA-N 308.386 -0.166 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)c2cc[n+]([O-])cc2)CC1 1194725451 FSPIMYWMDAZZPL-UHFFFAOYSA-N 316.361 -0.783 30 20 DBED C#CCN1CCCN(C(=O)[C@@H](CCC)S(N)(=O)=O)CC1 1196649001 OLIQKVNIAXZAJE-GFCCVEGCSA-N 301.412 -0.389 30 20 DBED COCC#CCNCC1CCN(C(=O)C2(C(N)=O)CC2)CC1 1206093300 JOHPGKIXDCBSHC-UHFFFAOYSA-N 307.394 -0.270 30 20 DBED Cc1ncc(CC(=O)N2CCC[C@H](NCC(=O)NCC#N)C2)o1 1208328732 HAVRTMBMPWRSRO-LBPRGKRZSA-N 319.365 -0.254 30 20 DBED C=CCN[C@@H]1CCCN(C(=O)CS(=O)(=O)CCOC)C1 1208436079 VXPXJXPCZOUGSP-GFCCVEGCSA-N 304.412 -0.186 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@@H](C)CCOC)C1 1211159674 JXKYBFJVSFWJSJ-UONOGXRCSA-N 309.410 -0.011 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(C[C@H]2CCOC2)C[C@H]1OC 1212257445 BWPLTZOWYUALDL-RBSFLKMASA-N 310.394 -0.122 30 20 DBED COCC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H](O)C(C)C 1217770090 BZNLJFUONAOEOA-RRFJBIMHSA-N 310.394 -0.435 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2ccsn2)C1 1219858538 SFJFQRJATUMIBN-MNOVXSKESA-N 310.379 -0.780 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)[C@@H](C)CS(C)(=O)=O)C1 1221099590 SAZOQTVQPSRXKJ-GDPRMGEGSA-N 324.830 -0.419 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(CC(=O)NC(C)C)C[C@@H]1O 1221139958 WCVZUOMMLOQHGY-OLZOCXBDSA-N 313.398 -0.735 30 20 DBED N#CCNC(=O)CN1CCC(CNC(=O)c2cnsn2)CC1 1222455089 LFNUICWUFNFPRN-UHFFFAOYSA-N 322.394 -0.380 30 20 DBED C=C(C)CN1CCC(CNC(=O)C[C@H](NC(C)=O)C(N)=O)CC1 1224754374 WFNIUSMSAAYKBH-AWEZNQCLSA-N 324.425 -0.229 30 20 DBED COCCOC[C@@H](O)CN1CCC(NC(=O)[C@@H](C)C#N)CC1 1226640487 NSFAWZRJEJEFIV-JSGCOSHPSA-N 313.398 -0.249 30 20 DBED C[C@H]1CN(C)C[C@@H]1C(=O)NC1CCN(CC(=O)NCC#N)CC1 1229185321 LGRPALGLXBMNJA-JSGCOSHPSA-N 321.425 -0.596 30 20 DBED C=CCOCCn1nnnc1N1CCN(C(=O)C2CC2)CC1 1262416733 GZSVIVGBPHZCHL-UHFFFAOYSA-N 306.370 -0.066 30 20 DBED CN(C)C[C@@](C)(C#N)NC(=O)[C@@H]1CC(c2cnn(C)c2)=NO1 1262798903 NXWCDCVIJUWBLC-GXTWGEPZSA-N 304.354 -0.127 30 20 DBED C#CCOCCNC(=O)C(=O)Nc1ccc(-n2cncn2)cc1 1320925346 SJYAREAMOPGLMH-UHFFFAOYSA-N 313.317 -0.028 30 20 DBED COC(=O)c1sccc1NC(=O)C(=O)NCC(=O)NCC#N 1323053063 CEORCWUGZZOBGW-UHFFFAOYSA-N 324.318 -0.771 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CC[C@@H](COCCOC)C1 1323820035 PNEADPBKNSSCRW-CHWSQXEVSA-N 314.382 -0.185 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)NCCCO[C@H]1CCOC1 1324070501 KKUMTJHJUGFPTG-AWEZNQCLSA-N 306.362 -0.217 30 20 DBED N#C[C@@]1(F)CCN(C(=O)C(=O)N2CCC[C@H]2C(=O)NC2CC2)C1 1325131591 LRKDEVBFZQZXQM-NHYWBVRUSA-N 322.340 -0.280 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N(CCO)C2CC2)CCN1C1CC1 1330320691 ZVHQWXBFZLUVJX-CYBMUJFWSA-N 306.366 -0.832 30 20 DBED C#CCN(C(=O)C(=O)NCCN1CCNC1=O)C1CCCCC1 1332348095 QDFLEDOUBUISJO-UHFFFAOYSA-N 320.393 -0.078 30 20 DBED C=CCOCCn1nnnc1N1CCC(N2CCNC2=O)CC1 1335514599 ODMRRUQAZVZVSL-UHFFFAOYSA-N 321.385 -0.130 30 20 DBED C#CCOCCn1nnnc1N1CCC2(CC1)COC(=O)N2 1335754231 FNNWGBMOJUPAIS-UHFFFAOYSA-N 306.326 -0.598 30 20 DBED C=CCn1c(N2CCN(C)C(=O)C2)nnc1[C@@](C)(O)COC 1340474178 PWXFHVYDEZHKCR-AWEZNQCLSA-N 309.370 -0.404 30 20 DBED C[C@@H]1CCCN(C(=O)CCNC(=O)NCC(=O)NCC#N)C1 1342044694 NNSCGZZCNBQRPZ-LLVKDONJSA-N 309.370 -0.426 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N(C)CC2=CCCOC2)nn1 1347646056 YQPOGQOJGBCAER-UHFFFAOYSA-N 319.365 -0.115 30 20 DBED CN1C(=O)Cc2cc(C(=O)Cn3c(=O)[nH]cc(C#N)c3=O)ccc21 1365258395 BTNVPHSRAHOJEL-UHFFFAOYSA-N 324.296 -0.190 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C)Cc1cc(=O)n2nccc2[nH]1 1403510285 VXCKDPXMPYNLPP-JTQLQIEISA-N 302.338 -0.270 30 20 DBED CCN1CCO[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)[C@H](C)C#N)C2)C1 1414197267 LMDMTDYTFLVEJH-MQYQWHSLSA-N 322.409 -0.122 30 20 DBED COCC1(CC(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)CC1 1428918217 MLWSKUNHNLJBOX-UTUOFQBUSA-N 309.366 -0.349 30 20 DBED C[C@H](CCNC(=O)c1cc(C#N)c[nH]1)NC(=O)[C@H]1COC(=O)N1 1428994635 FUWAZRGSPFFGEL-LDYMZIIASA-N 319.321 -0.381 30 20 DBED CC(=O)N1CC[C@@](C)(C(=O)NCC2CN(C(=O)[C@H](C)C#N)C2)C1 1432479255 LGEDYUQRRBXJKQ-BDJLRTHQSA-N 320.393 -0.021 30 20 DBED Cc1nn(C)c(C)c1NC(=O)CN1CC(NC(=O)[C@@H](C)C#N)C1 1443461005 LTGFHGPDLLVKOR-VIFPVBQESA-N 318.381 -0.064 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C)C(=O)[C@H]1CCCCN1C(N)=O 1449182745 BJEQUAPDRZHMEQ-WDEREUQCSA-N 309.370 -0.346 30 20 DBED C[C@H](CNC(=O)c1cnnn1C)NC(=O)c1c[nH]c(C#N)c1 1454607642 TWBVITFLSBJYKZ-MRVPVSSYSA-N 301.310 -0.437 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)C[C@H]2CCC(=O)NC2)C1 1480615674 PAPBYTBRTUPOLB-OLZOCXBDSA-N 322.409 -0.605 30 20 DBED CC[C@H](C(=O)N1CC[C@H](CN(C)CC(=O)NCC#N)C1)N(C)C 1481488082 BECDTJSKDLIQRC-ZIAGYGMSSA-N 323.441 -0.253 30 20 DBED CCN(CCC#N)C(=O)CN1CC(NC(=O)c2ncccn2)C1 1494467875 RWZLZBPLWFPKSG-UHFFFAOYSA-N 316.365 -0.347 30 20 DBED N#Cc1nc(N(CCO)Cc2cccnc2)cnc1-c1nn[nH]n1 1570930245 HEXNPWAQWMSZKU-UHFFFAOYSA-N 323.320 -0.078 30 20 DBED N#Cc1cn(CC(=O)N2CCCCC[C@H]2C(=O)O)c(=O)nc1O 1571145883 NHVYRPHQZDXUHR-JTQLQIEISA-N 320.305 -0.324 30 20 DBED C=C(Br)CNC[C@H](O)CN(C)C(=O)CNC(=O)O 1573321305 LEAYNKOBOUUCJK-QMMMGPOBSA-N 324.175 -0.429 30 20 DBED C=CCn1cc(C(=O)N(C)C2CN(CCc3cnn[nH]3)C2)nn1 1575111442 DRSZPAXYVYZVQP-UHFFFAOYSA-N 316.369 -0.419 30 20 DBED N#Cc1ncc(N2CC[C@@](O)(C(F)F)C2)nc1-c1nn[nH]n1 1581882080 KOOGTAQVARYLSW-NSHDSACASA-N 308.252 -0.265 30 20 DBED C#CC[C@H](NC(=O)[C@@H](NC(=O)C1CCCC1)[C@H](C)O)C(=O)O 1588398283 GIOYRCKCPMLINU-DLOVCJGASA-N 310.350 -0.365 30 20 DBED C#CC[C@@H](NC(=O)COCc1ocnc1C(=O)O)C(=O)OC 1588404727 HEZUFLPQTRGWIY-MRVPVSSYSA-N 310.262 -0.430 30 20 DBED C=C(C)C(C)(C)C(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2C(=O)O)C1 1588530138 RLLSBFPTSNAQJU-GHMZBOCLSA-N 324.377 -0.001 30 20 DBED C[C@@](C#N)(NC(=O)COc1cnc(-c2nn[nH]n2)nc1)C1CC1 1588924361 LABVIOZROUPUNX-ZDUSSCGKSA-N 314.309 -0.156 30 20 DBED N#Cc1ncc(NCCNc2cnccn2)nc1-c1nn[nH]n1 1592710061 GGFZTGMUBLRVSY-UHFFFAOYSA-N 309.297 -0.158 30 20 DBED O=C(N[C@@H]1CCN(O)C1=O)c1ncc(-c2nn[nH]n2)cc1Cl 1592988594 MZJGKZIPMIZJJM-SSDOTTSWSA-N 323.700 -0.365 30 20 DBED COC(=O)CC[C@@H](NC(=O)[C@@H](C)n1cnc(C#N)n1)C(=O)O 1598856771 ZZYZANPAXOSQFH-HTQZYQBOSA-N 309.282 -0.767 30 20 DBED N#Cc1c[nH]nc1NS(=O)(=O)c1cncc(-c2nn[nH]n2)c1 1606390263 PIRWBMBWRMAUKU-UHFFFAOYSA-N 317.294 -0.343 30 20 DBED CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)CC1(C#N)CC1)C(=O)O 1607377271 FHKQUOOMMXSGNM-QPUJVOFHSA-N 300.336 -0.316 30 20 DBED Cn1c(N2CC[C@@]3(CCOC3=O)C2)c(C#N)c(=O)n(C)c1=O 1646637535 CPEHICFDCXRSQI-CQSZACIVSA-N 304.306 -0.901 30 20 DBED C[C@@H](CCN1CCN(C)CC1)NC(=O)Cn1cnc(C#N)n1 1649756124 JZVLZRNQHIBZTN-LBPRGKRZSA-N 305.386 -0.708 30 20 DBED COCC(C)(C)CC(=O)N1CC[C@H](NCC(=O)NCC#N)C1 1662520502 MYWCKCXZIIDYFM-LBPRGKRZSA-N 310.398 -0.121 30 20 DBED C[C@H](N[C@H]1C[C@@H](NC(=O)CSCC#N)C1)c1nnnn1C 1752713105 MTFVAIZAOUFTMV-LPEHRKFASA-N 309.399 -0.235 30 20 DBED C#CCNC(=O)[C@H](C)N1CC(NC(=O)CC[C@H]2CCOC2)C1 1753374798 PUHDQIHSCVNFDT-STQMWFEESA-N 307.394 -0.259 30 20 DBED Cn1cc(CN2CCO[C@@H](CNC(=O)CSCC#N)C2)cn1 1753645947 ISWVYBOVTKWSNX-ZDUSSCGKSA-N 323.422 -0.006 30 20 DBED C=C[C@@](C)(O)CC(=O)N(C)[C@H](C)CNCc1nc(=O)n(C)[nH]1 1753686832 XPVZVRTYCPZFQM-QMTHXVAHSA-N 311.386 -0.628 30 20 DBED CNS(=O)(=O)CCC(=O)N1CCC[C@@H]([C@@H](C)NCC#N)C1 1753794881 TXHUWOHPUQZVJA-VXGBXAGGSA-N 316.427 -0.334 30 20 DBED CCNC(=O)CC(=O)NC[C@@H](O)CNCc1ccc(C#N)cc1 1753909687 XNRLPXURLRAMQR-AWEZNQCLSA-N 318.377 -0.349 30 20 DBED COCC#CCNC[C@@H]1CCCN1C(=O)[C@@H]1CN(C)CCO1 1754607594 FTAYSLQZPYYZAS-GJZGRUSLSA-N 309.410 -0.453 30 20 DBED C#CCN(C(=O)CS(=O)(=O)NC)C1CCN(CCC)CC1 1754643416 XRLMHJHPEPGDBJ-UHFFFAOYSA-N 315.439 -0.128 30 20 DBED C=CCNC(=O)CN1CCOC[C@H]1CNC(=O)C1=COCCC1 1754966954 YEAAEDKOSKEZIQ-CQSZACIVSA-N 323.393 -0.200 30 20 DBED CC#CCN1CCOC[C@@H]1CNC(=O)C[C@H]1CCCC(=O)N1 1754969084 QSLDAWXZMKYMTN-KGLIPLIRSA-N 307.394 -0.115 30 20 DBED CC#CCN1CCOC[C@H]1CNC(=O)[C@@H](CCC)NC(N)=O 1754974812 QQARPBKXHOMXGE-CHWSQXEVSA-N 310.398 -0.336 30 20 DBED C#CCCNC1(CNC(=O)CN2CCN(C)C(=O)C2)CCC1 1754989959 NDPLRUSOLGBUGS-UHFFFAOYSA-N 306.410 -0.588 30 20 DBED N#CCNC[C@@H]1CN(C(=O)c2cc3ncccn3n2)CCO1 1755013218 QTKYWZJCHQUFCK-LLVKDONJSA-N 300.322 -0.317 30 20 DBED C=CCNC(=O)CN1CC([C@@H](C)NC(=O)C[C@@H]2COC(=O)C2)C1 1755372702 GPWHHBOWOQWJGW-NEPJUHHUSA-N 323.393 -0.322 30 20 DBED C[C@@H](NC(=O)C1(C)CCOCC1)C1CN(CC(=O)NCC#N)C1 1755387313 HBCJTZHECOTRKX-GFCCVEGCSA-N 322.409 -0.121 30 20 DBED CCO[C@H]1C[C@@H]1C(=O)N[C@H]1C[C@H](CNCC(=O)NCC#N)C1 1755465932 BHKOEXOKLBHWGR-CYDGBPFRSA-N 308.382 -0.464 30 20 DBED CC#CCNCCC[C@@H](C)NC(=O)[C@H]1CCS(=O)(=O)N1 1755533810 NJWIWUUXDKOQNX-VXGBXAGGSA-N 301.412 -0.424 30 20 DBED C#CCCN(C)CCOCCNC(=O)[C@H]1CCN(C)C(=O)C1 1755542048 WIGLQBIILHJOFF-AWEZNQCLSA-N 309.410 -0.057 30 20 DBED C=CCn1cc(C(=O)NC[C@H](CO)NCc2ncc(C)o2)nn1 1755640203 GWBRPAHYKFHHBB-LLVKDONJSA-N 320.353 -0.359 30 20 DBED COCC(=O)N(C)CC(=O)N1C[C@@H]2[C@@H](CCC[C@H]2NCC#N)C1 1755708281 WRAYFUQXIPPYFT-BFHYXJOUSA-N 322.409 -0.169 30 20 DBED C=CCCOCC(=O)N[C@@H](C)C1CN(C(=O)c2cnn(C)n2)C1 1756147758 VIROYKNHMBCOEN-NSHDSACASA-N 321.381 -0.016 30 20 DBED CC(C)C#CC(=O)N1C[C@H]2CCN(C(=O)[C@H]3CNC(=O)N3)C[C@H]21 1757228030 KPBDEQOPZHDDMM-JHJVBQTASA-N 318.377 -0.614 30 20 DBED N#C[C@H]1CN(C(=O)NCCN2CCC3(C2)OCCO3)CCO1 1772426147 KONPYMDNWUKJHR-LBPRGKRZSA-N 310.354 -0.631 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)C(C)(C)C)CCO2 1783046711 TWQYAOSVKAQZNS-XJKSGUPXSA-N 308.378 -0.144 30 20 DBED CC[C@H](C)[C@@H](N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC#N)C2 1795548501 IHIATVHJLXVOQO-OBORUHMCSA-N 322.409 -0.137 30 20 DBED CC(=O)NCC(=O)N1CC2(CCCN2C(=O)C2(C#N)CC2)C1 1842809621 GXFUNXXULOLIDD-UHFFFAOYSA-N 304.350 -0.370 30 20 DBED C#CCNS(=O)(=O)c1ccc(C(=O)NCC(=O)OCC)cc1 57300197 DMROSENTISFIQN-UHFFFAOYSA-N 324.358 -0.109 30 20 DBED C[C@@H](CS(C)(=O)=O)NS(=O)(=O)c1cccnc1C#N 235113189 UPQOVXKQTWIRJZ-QMMMGPOBSA-N 303.365 -0.335 30 20 DBED C#CCOc1ccccc1CNC(=O)NCCS(N)(=O)=O 265116954 CKCVKROJRNZIMD-UHFFFAOYSA-N 311.363 -0.214 30 20 DBED C#CCOc1cc(F)ccc1NC(=O)C(=O)NC[C@@H](O)CO 275779595 WYWAPPFCBWRLQA-SNVBAGLBSA-N 310.281 -0.754 30 20 DBED C=C[C@H](CO)NC(=O)CCSCCC(=O)N[C@H](C=C)CO 292694388 NIDKBZBXFCQZRQ-VXGBXAGGSA-N 316.423 -0.174 30 20 DBED C/N=C(/O)[C@@H]1CN(/C(O)=N/CCN2CCN=C(O)C2)CCO1 329311542 REIPRUQVLLROEE-JTQLQIEISA-N 313.358 -0.540 30 20 DBED CCS(=O)(=O)NC1CCN(/C(O)=N/[C@@H]2[C@H]3COC[C@H]32)CC1 329993117 LBTOTPAKAVFDMO-GDNZZTSVSA-N 317.411 -0.051 30 20 DBED CCS(=O)(=O)N(C)CCC/N=C(/O)N1CCO[C@@H](C#N)C1 330657586 POEMRAUKKJNWOV-NSHDSACASA-N 318.399 -0.204 30 20 DBED CN(C)CCN(C)/C(O)=N/C1CCN(CC(=O)N(C)C)CC1 331049654 HPGVEOHYCAPUJR-UHFFFAOYSA-N 313.446 -0.054 30 20 DBED COc1cc(/C(O)=N/CCN2CCCS2(=O)=O)nn1C 331076285 WGVSBKWBDWFLCH-UHFFFAOYSA-N 302.356 -0.231 30 20 DBED COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)Cc1noc(C)c1C#N 331290738 PGXHQTHMYCWFHK-YPMHNXCESA-N 307.306 -0.078 30 20 DBED N#CCN1CCN(C(=O)CCn2nc3ccccn3c2=O)CC1 332348517 UIXWDHHUHSTLTA-UHFFFAOYSA-N 314.349 -0.446 30 20 DBED CN(C)C[C@](C)(O)CNC(=O)C(=O)Nc1sccc1C#N 340135456 SWMMXGQVAXEJDS-CYBMUJFWSA-N 310.379 -0.013 30 20 DBED C[C@@H]1CN([C@@H](C(N)=O)c2ccc(C#N)cc2)C[C@@H](C(N)=O)O1 347027941 VDTCZGBMJFJCPR-JIMOISOXSA-N 302.334 -0.341 30 20 DBED CN1C(=O)C(=O)N(CC(=O)NCc2cccc(C#N)c2)C1=O 353425696 TWXIUDNGINYWOJ-UHFFFAOYSA-N 300.274 -0.405 30 20 DBED N#Cc1ccc(NCC(=O)N2CCO[C@@H](c3ncon3)C2)nc1 353569794 GFADBYRRNYWGDD-LLVKDONJSA-N 314.305 0.348 30 20 DBED CNS(=O)(=O)[C@@H]1CCN(CC(=O)N[C@@](C)(C#N)C2CC2)C1 372150742 PTHALURTUSODTC-YPMHNXCESA-N 314.411 -0.582 30 20 DBED C=CCNC(=O)NC(=O)CN1CC[C@H](C)S(=O)(=O)CC1 373779301 GXSWTEMAXDHDPC-JTQLQIEISA-N 303.384 -0.493 30 20 DBED CC[C@@H](NC(=O)N1CCO[C@@H](C#N)C1)C(=O)N1CCOCC1 408419941 QCVIXHDBTZJKNF-NWDGAFQWSA-N 310.354 -0.442 30 20 DBED C=CCCS(=O)(=O)N1Cc2nnc(O)n2C[C@@H]1C(=O)O 424383015 AGRCTEONZMWCQP-SSDOTTSWSA-N 302.312 -0.842 30 20 DBED N#Cc1cc(NC[C@@H](O)C(N)=O)nc2ccc([N+](=O)[O-])cc12 429323551 XIBSDPYIRKAYSP-LLVKDONJSA-N 301.262 0.273 30 20 DBED C#CCn1ccc(CN(CC)C(=O)C(=O)NCC(=O)N(C)C)n1 491166615 SVDNAQBWZJAQFO-UHFFFAOYSA-N 319.365 -0.931 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2cn(C)nc2CC)CC1 491221476 XADVPNDULNZOAN-UHFFFAOYSA-N 317.393 -0.510 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2nn(C)cc2C)CC1 491811308 BTKNLJOKFCVKJE-UHFFFAOYSA-N 303.366 -0.764 30 20 DBED N#Cc1ccc(S(=O)(=O)N2CC[C@H](N3CCNCC3)C2)o1 514678378 QUQSRPBYNRVGIB-NSHDSACASA-N 310.379 -0.181 30 20 DBED N#Cc1cc(F)c(S(=O)(=O)N2C[C@@H](O)[C@H](CO)C2)c(F)c1 563435249 HFWBSAWFLRLYQJ-GZMMTYOYSA-N 318.301 -0.190 30 20 DBED N#Cc1cccc(S(=O)(=O)NCC(=O)NCC2(O)CCC2)c1 564484657 RLJGEYFGOJSEPH-UHFFFAOYSA-N 323.374 -0.132 30 20 DBED COCCn1cc(NC(=O)NCCn2cnc(C#N)n2)cn1 585823792 GYUWKJPKDUCYLY-UHFFFAOYSA-N 304.314 -0.186 30 20 DBED C=CCCn1cc(C(=O)N2C[C@@H](C(=O)OC)C[C@@H](O)C2)nn1 592924877 DCEBFGHQNPVEEB-WDEREUQCSA-N 308.338 -0.150 30 20 DBED COC(=O)C[C@H](O)CNC(=O)C(=O)Nc1cccc(C#N)c1 600056665 DHTFSGAJJMSTHV-NSHDSACASA-N 305.290 -0.463 30 20 DBED Cc1cc(NC(=O)NCCN2C(=O)CNC2=O)nn1CCC#N 611481908 VZLYWAHZVDEOIV-UHFFFAOYSA-N 319.325 -0.222 30 20 DBED CN(C)C(=O)NCCNc1cccc(S(N)(=O)=O)c1C#N 758035501 RRBRLEOBMKNWJV-UHFFFAOYSA-N 311.367 -0.111 30 20 DBED C=C(CN(C)C)C(=O)NCc1ccc(C(=O)NCC(N)=O)cc1 764335718 PJTSSNASNPLIRR-UHFFFAOYSA-N 318.377 -0.364 30 20 DBED C#C[C@@H](NC(=O)NCC1CN(S(C)(=O)=O)C1)[C@@H]1CCCO1 777637809 LJLFVQNNXVOXQZ-NEPJUHHUSA-N 315.395 -0.642 30 20 DBED CCS(=O)(=O)NCCNC(=O)NCc1ccc(C#N)cn1 780294883 HKJKHTYQQGABJK-UHFFFAOYSA-N 311.367 -0.308 30 20 DBED C#CCCN1CCN(C(=O)N(C)[C@H]2CCS(=O)(=O)C2)CC1 790165278 VYOKADXIVYENTI-ZDUSSCGKSA-N 313.423 -0.134 30 20 DBED CN(C[C@H]1CCCN(CC(=O)NCCC#N)C1)S(C)(=O)=O 796128377 XDISGCDBDLUSGZ-GFCCVEGCSA-N 316.427 -0.380 30 20 DBED C#CCC[C@@H](O)CNC(=O)[C@@](C)(O)Cn1c(C)cccc1=O 799069978 HAGHVGXTNJFNAT-CJNGLKHVSA-N 306.362 -0.202 30 20 DBED C#CCC[C@@H](O)CNC(=O)Nc1cnn(CC(=O)N(C)C)c1 799218706 JHAUQQWJQQPCIN-GFCCVEGCSA-N 307.354 -0.133 30 20 DBED C=C(C)CN1CCC(NC(=O)C(=O)NCC[S@](C)=O)CC1 804896838 YZXMAXGMTVBPQA-NRFANRHFSA-N 315.439 -0.362 30 20 DBED C#C[C@@H](NC(=O)C(=O)NCc1cnn(C)c1C)[C@H]1CCCO1 805699572 MUPCCRJXJCTRQE-CHWSQXEVSA-N 304.350 -0.358 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CC[C@](C)(C(=O)OC)C1)[C@H]1CCCO1 809311003 FNJWJAHBOWNBKY-OZVIIMIRSA-N 322.361 -0.305 30 20 DBED C#C[C@@H](NC(=O)C(=O)N(C)CCn1cccn1)[C@H]1CCCO1 809312480 NIYDQMQPABCWCT-CHWSQXEVSA-N 304.350 -0.362 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCC[C@@H](CC(N)=O)C1)[C@H]1CCCO1 809313071 QIOBFUCVVGGPDD-RWMBFGLXSA-N 321.377 -0.603 30 20 DBED CS(=O)(=O)CC1(CC(=O)N[C@@H]2CCCN(O)C2=O)CC1 816759790 VAQBSMFCWBDNGD-SECBINFHSA-N 304.368 -0.302 30 20 DBED C#C[C@H](NC(=O)C(=O)N1C[C@@H](C(=O)O)C[C@@H](C)C1)[C@H]1CCCO1 817890915 BNZMLBVVMVWBQI-MROQNXINSA-N 322.361 -0.147 30 20 DBED C#CCN1CCN(C(=O)Cc2noc(C)c2-c2nn[nH]n2)CC1 823850128 KATZOUXOXHCCJV-UHFFFAOYSA-N 315.337 -0.517 30 20 DBED C#CCN1CCN(C(=O)CN(C[C@@H](C)C(=O)O)C2CC2)CC1 825620032 SIMDCWDJTBVKLT-CYBMUJFWSA-N 307.394 -0.051 30 20 DBED N#C[C@H]1CNC[C@@H]1NC(=O)CNS(=O)(=O)c1cccs1 834499272 GQNHZHNKPDNKLE-IUCAKERBSA-N 314.392 -0.746 30 20 DBED C#CC[C@@H](NS(=O)(=O)N(CC)C[C@H](C)C#N)C(=O)OC 841540750 QRNDBSWNNWUHEQ-GHMZBOCLSA-N 301.368 -0.133 30 20 DBED C#CCNC(=O)[C@@H](C)OC(=O)CN1C(=O)NC2(CCCC2)C1=O 855707522 OMWAKLBPMXLQER-SNVBAGLBSA-N 321.333 -0.468 30 20 DBED C#Cc1cccc(NC(=O)C(=O)NCCN2CC[C@H](O)C2)c1 862205286 FLKFRRLIPUWPQJ-AWEZNQCLSA-N 301.346 -0.211 30 20 DBED C#CCNCC(=O)NCc1ccc(S(=O)(=O)NC)s1 912169038 PDWAKDXIRDCYMO-UHFFFAOYSA-N 301.393 -0.505 30 20 DBED CN(C(=O)CN1CCOCC1)[C@H]1CCN(C(=O)C#CC2CC2)C1 937347294 KJHWOZZSSWPLET-HNNXBMFYSA-N 319.405 -0.209 30 20 DBED C=C(C)C(C)(C)C(=O)N1C[C@H]2C[C@H]1[C@H]2NC(=O)Cn1ncnn1 947215074 GRXAXYRAQIPOSQ-MDZLAQPJSA-N 318.381 -0.009 30 20 DBED C#CCN1CC[C@H](NC(=O)Cn2nc(C)n(C)c2=O)C[C@@H]1C 947985435 LMMAZGVWYWHKNR-AAEUAGOBSA-N 305.382 -0.507 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)CC(N)=O)C[C@H]2C)cn1 948042849 BUAWVNLVZKKLAO-ZWNOBZJWSA-N 314.345 -0.485 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)[C@H](O)C(C)C 950755549 OQLDERLGFZPPLN-QLFBSQMISA-N 321.421 -0.182 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H](NC(=O)c2cc(=O)n(C)cn2)C1 951870414 RZKKEWFEHIYCEC-GHMZBOCLSA-N 317.349 -0.339 30 20 DBED C#Cc1ccc(C(=O)N2CCN(Cc3nnn(C)n3)CC2)nc1 957378937 PVIPGLJFONKUMI-UHFFFAOYSA-N 311.349 -0.456 30 20 DBED C#CCCN1C[C@H](O)[C@H](CNC(=O)c2cc(OC)n(C)n2)C1 958244150 OWKMTQLXTRFCLL-YPMHNXCESA-N 306.366 -0.526 30 20 DBED N#CCN1C[C@H](CNC(=O)c2ccc3nc(O)[nH]c3c2)[C@@H](O)C1 958448244 MXURUFDKNOQPTP-GWCFXTLKSA-N 315.333 -0.185 30 20 DBED C#CCCN1C[C@@H](O)[C@@H](CNC(=O)c2coc(COC)n2)C1 958552129 QFJKTBSRMQEQLZ-WCQYABFASA-N 307.350 -0.133 30 20 DBED C#CCCN1C[C@H]2C(NC(=O)[C@@H]3CC(=O)N(CCOC)C3)[C@@H]2C1 960169263 VAPLGTFIBVEFNY-MGPQQGTHSA-N 319.405 -0.449 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CN(C(=O)[C@H]3CCC(=O)N3)C[C@H]2C1 961189561 YZVCPYXIHVBVSW-NNYUYHANSA-N 304.350 -0.659 30 20 DBED C#Cc1cncc(C(=O)N[C@H]2[C@@H]3CN(CC(=O)N4CCC4)C[C@@H]32)c1 961723973 UKPJNQTWKSPTQR-QLPKVWCKSA-N 324.384 -0.045 30 20 DBED C#CCNC1CC2(C1)CC(NC(=O)[C@H]1CC[C@@H](C(N)=O)O1)C2 965034878 OBLHJFUPHBIEQR-UMGLTOTFSA-N 305.378 -0.331 30 20 DBED C[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1NC(=O)c1cc(=O)n(C)o1 966395616 DXGWNQUGXJPTSA-JQWIXIFHSA-N 317.345 -0.032 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1NC(=O)C1CS(=O)(=O)C1 966408092 KMIOAGNXPXOMLM-MFKMUULPSA-N 324.402 -0.593 30 20 DBED C[C@H]1CCN(CC#N)C[C@@H]1NC(=O)c1cn(C)c(=O)nc1O 968638811 CDIUPQXAXBZHOT-ONGXEEELSA-N 305.338 -0.550 30 20 DBED CC#CCN1C[C@H]2CC[C@H]1CN2C(=O)CN1CCNC(=O)C1 971677512 ILCZYZYYTIXOPA-UONOGXRCSA-N 304.394 -0.883 30 20 DBED CCN1CCOC[C@H]1C(=O)N1CC[C@]2(CN(CC#N)CCO2)C1 972441339 RGDBTXGRIVVIFN-HOCLYGCPSA-N 322.409 -0.466 30 20 DBED C[C@@]1(C(=O)N2CC[C@]3(CN(CC#N)CCO3)C2)CCC(=O)N1 972540591 RHXICPWAKSTRQD-GJZGRUSLSA-N 306.366 -0.518 30 20 DBED C#CCN(C)[C@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)C1 972720403 JQEMMBLFCZIVPL-JTQLQIEISA-N 300.322 -0.803 30 20 DBED C#CCCN1C[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C(C)(C)C1 974682900 YMKRHOUNRJRSHS-WDEREUQCSA-N 306.366 -0.566 30 20 DBED CN(C)C(=O)[C@@H]1CC[C@H](C(=O)NC[C@H]2[C@@H]3CN(CC#N)C[C@H]23)O1 978706300 NXJKPNYMFORDQA-RGDJUOJXSA-N 320.393 -0.560 30 20 DBED C#Cc1ccc(C(=O)NCC2[C@@H]3CN([C@@H]4CCNC4=O)C[C@@H]23)nc1 978980872 CFNSCQJSGUSGJT-OFQRWUPVSA-N 324.384 -0.141 30 20 DBED COCCn1cc(C(=O)NCC2[C@H]3CN(CC#N)C[C@H]23)cn1 979044649 MBQWCWUCEDECKT-ZIAGYGMSSA-N 303.366 -0.039 30 20 DBED C#CCCN1CCCC2(C1)CN(C(=O)[C@@H]1CN(C)C(=O)N1)C2 981934425 DPKBMVGEWCQAEW-ZDUSSCGKSA-N 304.394 -0.042 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H]2C[C@H](CN[C@@H]3CCNC3=O)C2)c1 983421407 BXWCZJOHDBIRKC-YUSALJHKSA-N 301.350 -0.127 30 20 DBED CN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CCCN(C(=O)CC(N)=O)C1 983997311 JSJPAHFBLSLHMV-LLVKDONJSA-N 317.349 -0.175 30 20 DBED C=CCN(C)C1CCN(C(=O)CN2CC(=O)N(C)C2=O)CC1 985754116 LJKJVMBWIRBQND-UHFFFAOYSA-N 308.382 -0.011 30 20 DBED C[C@@H]1C[C@@H](NCC#N)CN1C(=O)c1ccc(S(N)(=O)=O)o1 989095530 RYTASIOOUFWSMV-RKDXNWHRSA-N 312.351 -0.357 30 20 DBED C=CCN1CC[C@H](NC2CCN(C(=O)CC(N)=O)CC2)C1=O 990422629 JCMUFZDSMZSDIS-LBPRGKRZSA-N 308.382 -0.771 30 20 DBED N#CCN1CC[C@@]2(NC(=O)Cn3cnc(C(N)=O)n3)CCC[C@H]12 990766574 WFICKOHVWNQMEK-HZMBPMFUSA-N 317.353 -0.986 30 20 DBED C=C[C@@](C)(CC)C(=O)N1CC(NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 991559052 WUNXHEVSXPPCMA-BONVTDFDSA-N 322.365 -0.486 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](C)[C@H](CNC(=O)c2cnn(C)n2)C1 994288261 BGTHXDWRYXRIOX-HBNTYKKESA-N 304.354 -0.201 30 20 DBED C=CC(C)(C)C(=O)N1CC(NC(=O)CN2CCCNC2=O)C1 995222786 NPATZNUAJKGNTQ-UHFFFAOYSA-N 308.382 -0.059 30 20 DBED C[C@@H](C#N)C(=O)N1CC(N2C[C@@H](NC(=O)C(C)(C)F)CC2=O)C1 995474189 PXQQNLIEWRWVIT-UWVGGRQHSA-N 324.356 -0.178 30 20 DBED C=C(C)CNC1CCN(C(=O)Cn2cnc(C(N)=O)n2)CC1 996607445 OMHIYWPFFQDJLC-UHFFFAOYSA-N 306.370 -0.466 30 20 DBED CN1CC[C@H](C(=O)N2CCC(NCC#N)CC2)S1(=O)=O 997079576 ILXHQRDQIBKSIR-LLVKDONJSA-N 300.384 -0.876 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)[C@@H]3CCN(C)C3)C2)cn1 997102485 SFOKVYQUJTVYPE-CYBMUJFWSA-N 312.373 -0.045 30 20 DBED C#CCN[C@H]1CN(C(=O)c2nnn(C)n2)CC[C@@H]1C(F)(F)F 998276005 KYMKDWDKOOUQBE-IUCAKERBSA-N 316.287 -0.174 30 20 DBED N#Cc1c[nH]c(C(=O)NCC2CN(C(=O)[C@@H]3COC(=O)N3)C2)c1 1001341731 LNKYHOHOZJWWBJ-NSHDSACASA-N 317.305 -0.817 30 20 DBED CCN1C[C@H](C(=O)NCC2CN(C(=O)[C@@H](C)C#N)C2)CC1=O 1002453314 VGCOMLMSEDUWBH-CMPLNLGQSA-N 306.366 -0.411 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C(=O)c2nnn(C(C)(C)C)n2)CC1 1011239411 PLKSCBVYZNDRDB-SNVBAGLBSA-N 319.369 -0.128 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCN(C(=O)COC)[C@@H]2C)nn1 1011388131 AAAZXTUFZCIRIJ-GHMZBOCLSA-N 307.354 -0.170 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCN(C(=O)CC(N)=O)[C@H]2C)nn1 1011586969 XOWKSEYIAKSOMG-VHSXEESVSA-N 320.353 -0.941 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2ccc(OCC(N)=O)cc2)C1 1015174412 NCLRCQMTNJXDEH-GFCCVEGCSA-N 302.334 -0.122 30 20 DBED C#Cc1ccc(C(=O)N2C[C@@H](NC(=O)C(N)=O)CC[C@@H]2C)cn1 1018374767 KKYKHYJTNNDJRW-GWCFXTLKSA-N 314.345 -0.343 30 20 DBED C=C1CC(C)(C(=O)N2C[C@@H](O)[C@H](NC(=O)Cn3nccn3)C2)C1 1023898556 SPOMARZKAUPPKV-VXGBXAGGSA-N 319.365 -0.678 30 20 DBED CC#CCN1CCCC[C@@H]1CNC(=O)[C@@H]1CCS(=O)(=O)N1 1024805816 DKICNIPBCSEQGL-OLZOCXBDSA-N 313.423 -0.328 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)[C@@H]3CCCN3C)C2)C1=O 1030161415 MAXOCZAOGQFMCS-UONOGXRCSA-N 306.410 -0.332 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2CC(=O)Nc1nncs1 1032317585 WSLHMGCFERJPJX-GUBZILKMSA-N 320.378 -0.079 30 20 DBED N#CCN1CCCC[C@H](NC(=O)C2CC3(C2)NC(=O)NC3=O)C1 1034435986 NXYQXSYZNJMPBB-VTWZXRTESA-N 319.365 -0.531 30 20 DBED CCCN1C[C@H](C(=O)NC[C@@H]2CN(CC#N)CCO2)CC1=O 1035523455 SZCDMNPIUQTTMH-CHWSQXEVSA-N 308.382 -0.415 30 20 DBED C#CCN1CC2(CCN(C(=O)c3nccnc3C(N)=O)CC2)C1 1035849115 UJQXDHPNNYUDJN-UHFFFAOYSA-N 313.361 -0.253 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)c3ccc(=O)n(C)n3)CC[C@@H]21 1036887609 ULGFJSSOCXSQFI-OCCSQVGLSA-N 300.362 -0.050 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)c3cn(C)c(=O)n3C)CC[C@H]21 1036905283 HEMVHORWFWPGEM-CHWSQXEVSA-N 302.378 -0.107 30 20 DBED C#CCCCC(=O)NC[C@@]1(O)CCN(C(=O)CCOCC#C)C1 1039576811 XZQJMVYXNLVADJ-KRWDZBQOSA-N 320.389 -0.091 30 20 DBED C#CCOCCC(=O)NC[C@@]1(O)CCN(C(=O)COCC)C1 1039719044 MCYMPZQZPNNNFG-HNNXBMFYSA-N 312.366 -0.858 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@]1(O)CCN(C(=O)CCOC)C1 1039721340 JWLUORHRCKVVFV-DOMZBBRYSA-N 312.366 -0.859 30 20 DBED C=CCOCC(=O)N1CC[C@](O)(CNC(=O)c2ccn(C)n2)C1 1039760733 RXGQUAYWGQONHX-HNNXBMFYSA-N 322.365 -0.684 30 20 DBED N#CCN1CCC[C@@]2(CCN(C(=O)C[C@@H]3CC(=O)NC3=O)C2)C1 1040557801 ZRZWFKMHWQKYHQ-BLLLJJGKSA-N 318.377 -0.123 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)c2cccn2C)C1 1041501073 NVODLQZTADLMNR-UHFFFAOYSA-N 307.350 -0.469 30 20 DBED C=CCCOCC(=O)N1CC(O)(CNC(=O)[C@H](C)OCC)C1 1041633975 ASTSELCPUXBPKK-LBPRGKRZSA-N 314.382 -0.306 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)c2cnn(CC)c2)C1 1042039671 HAMZHTKACSMYNP-UHFFFAOYSA-N 322.365 -0.591 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(O)(CNC(=O)c2ccn(C)n2)C1 1043118831 MFKDYKHSORIMAY-AWEZNQCLSA-N 322.365 -0.950 30 20 DBED C[C@@H]1C[C@@H](NCC#N)CCN1C(=O)CN1CCCS1(=O)=O 1044621926 CRZIRMPIOZLOOT-NEPJUHHUSA-N 314.411 -0.485 30 20 DBED C=C[C@](C)(CC)C(=O)NCC1(O)CN(C(=O)c2cnn(C)n2)C1 1045777490 JQYYHCMIGJDXLF-CQSZACIVSA-N 321.381 -0.280 30 20 DBED C#CCCN1[C@H]2CC[C@H]1CN(C(=O)CN1C(=O)CNC1=O)CC2 1045887836 PCSWONPZKALBDI-STQMWFEESA-N 318.377 -0.373 30 20 DBED CN1C[C@@H](C(=O)N2CCN([C@H]3CCN(CC#N)C3)CC2)CC1=O 1046033225 BHLHBOUBSVWFRT-KBPBESRZSA-N 319.409 -0.793 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)[C@H](CC)NC(C)=O)C1 1047080407 MEHWJOORNYGVOK-ZDUSSCGKSA-N 323.393 -0.606 30 20 DBED C=C(C)CN1C[C@H](O)[C@@H](N(C)C(=O)Cn2nnnc2C(C)C)C1 1047553928 DPKXLMSHLKVAEK-STQMWFEESA-N 322.413 -0.124 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1049238024 ZEZYOZZJCQQFKK-WHRXGGIHSA-N 308.378 -0.125 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1O 1049407630 JHVNLCUNOHVOEJ-UBHSHLNASA-N 322.409 -0.340 30 20 DBED C#CCCN1CCC2(CC1)CN(C(=O)C1CC(=O)NC(=O)C1)C2 1050699846 UTMLBCYFRWUVNH-UHFFFAOYSA-N 317.389 -0.013 30 20 DBED C#CCCN1CCOC[C@@H]1CNC(=O)[C@H]1CN(C)C[C@@H](C)O1 1050987990 WMIAPOPTPAYZQX-QLFBSQMISA-N 309.410 -0.454 30 20 DBED C#CCN1CCN([C@H]2CCN(C(=O)c3cn(C)nn3)C2)CC1 1052025926 LHPUPHUZADPDTE-ZDUSSCGKSA-N 302.382 -0.720 30 20 DBED C=CCN1CC2(C1)CN(C(=O)[C@H]1CN3CCC[C@H]3CO1)CCO2 1053262836 FAPWXJSSPKLYQU-LSDHHAIUSA-N 321.421 -0.051 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)Cc3ccnn3C)CO2)C1 1053789100 WDQLOHJMINCPSU-ZDUSSCGKSA-N 302.378 -0.055 30 20 DBED C=C(C)CN[C@@H]1CN(C(=O)CCn2ncn(C)c2=O)C[C@@H]1C 1054930421 NGPPPHUYGCIPSY-QWHCGFSZSA-N 307.398 -0.016 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@](CO)(NC(=O)CC(=O)N(C)C)C1 1055950969 IGARBYXYXVQYRL-IAQYHMDHSA-N 324.381 -0.906 30 20 DBED C[C@@H](C#N)C(=O)N[C@]1(CO)CCCN(C(=O)CC(C)(C)O)C1 1056093594 LHTHBPQLFAQQNT-XHDPSFHLSA-N 311.382 -0.223 30 20 DBED C[C@H](C#N)C(=O)N[C@@]1(CO)CCCN(C(=O)c2cn(C)cn2)C1 1056094925 YWNKURQGTSVFPG-ABAIWWIYSA-N 319.365 -0.337 30 20 DBED Cc1cc(C#N)nc(N2C[C@@H]3C(NC(=O)c4ncn(C)n4)[C@H]3C2)n1 1056202809 PYPNGZNXVDLZLF-QWRGUYRKSA-N 324.348 -0.350 30 20 DBED CN(c1nccnc1C#N)[C@H]1CCN(C(=O)[C@H]2COCCO2)C1 1056868734 HKBVLXHULZRRTJ-WCQYABFASA-N 317.349 -0.199 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)[C@@H](CC)OC 1057193919 UTFYYCIWOAAZHP-GFCCVEGCSA-N 302.371 -0.449 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)Cn1cccn1 1057439461 NUYFEOGXEGYYIV-UHFFFAOYSA-N 306.366 -0.376 30 20 DBED Cc1ccnn1CC(=O)NCCN(CCO)C(=O)C#CC1CC1 1057535553 BGQCJOWLDBASQN-UHFFFAOYSA-N 318.377 -0.458 30 20 DBED C#CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)C(C)(F)F 1057583095 GZJVUAJPSIJGFM-JTQLQIEISA-N 306.309 -0.383 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)Cc1cncs1 1057884342 BBJYDCJBYCXSCF-JTQLQIEISA-N 310.379 -0.218 30 20 DBED N#Cc1nccc(N2CCC[C@H](NC(=O)[C@H]3COCCO3)C2)n1 1058120127 IDMPFNLRSJUNAC-NWDGAFQWSA-N 317.349 -0.151 30 20 DBED N#Cc1cnc(N2CC[C@H](NC(=O)[C@@H]3CCC(=O)NC3)C2)cn1 1058594386 PWZGOQCVTKPGQS-MNOVXSKESA-N 314.349 -0.431 30 20 DBED CN1CC[C@H](C(=O)N2CC[C@H](N=c3cc[nH]c(C#N)n3)C2)C1 1058904753 IBYQZKSKJRRABO-RYUDHWBXSA-N 300.366 -0.265 30 20 DBED C#CCOCCC(=O)NCC[C@@H]1CCN(C(=O)CNC(C)=O)C1 1059053083 WKGHGDGTNFZINW-CQSZACIVSA-N 323.393 -0.483 30 20 DBED N#Cc1ccc(NC[C@@H]2CCN(C(=O)[C@H]3CCNC3=O)C2)nn1 1060952821 JNFKNFDCLWFDNZ-JQWIXIFHSA-N 314.349 -0.255 30 20 DBED CCCC(=O)NCC(=O)NC[C@H]1COCCN1C(=O)[C@@H](C)C#N 1061373934 SVDVINFZAGQODU-RYUDHWBXSA-N 324.381 -0.594 30 20 DBED C#CCCCC(=O)N1CCOC[C@H]1CNC(=O)[C@H]1CCC(=O)N1 1061416960 SBGVYJZVHCZNRC-CHWSQXEVSA-N 321.377 -0.588 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)C1CCN(C)CC1 1061847482 LHAVSPDWXQGVMP-GXTWGEPZSA-N 322.409 -0.169 30 20 DBED N#Cc1nccnc1N1CCO[C@H](CNC(=O)c2nc[nH]n2)C1 1063639149 NDUTWNWRIAJOLW-SECBINFHSA-N 314.309 -0.898 30 20 DBED Cc1cc(C#N)nc(N[C@H]2CCN(C(=O)C(N)=O)C[C@H]2C)n1 1063790178 CBXHCOULMLWJGJ-KCJUWKMLSA-N 302.338 -0.209 30 20 DBED C#CCOCCC(=O)NC[C@H]1CN(C(=O)C(F)F)CCO1 1064722378 FOSWJZZTYWOBCB-JTQLQIEISA-N 304.293 -0.365 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2[nH]cnc2C)CCO1 1065332242 VFCIRHAQUFCRRF-GFCCVEGCSA-N 322.365 -0.122 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CN(C(=O)c2cnc(O)n2C)CCO1 1065420520 JIXCADRYQKJGKA-UWVGGRQHSA-N 321.337 -0.757 30 20 DBED C=C(C)CCC(=O)NC[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)CCO1 1065624529 DEYKYMOCQNCAQK-UPJWGTAASA-N 323.393 -0.192 30 20 DBED C[C@H]1CN(C(=O)CS(C)(=O)=O)C[C@@H]1Nc1cnc(C#N)cn1 1067048580 CRFFBPMPEZXFFD-ONGXEEELSA-N 323.378 -0.348 30 20 DBED C[C@@H]1[C@@H](Nc2ccc(C#N)nn2)CCN1C(=O)c1nnn(C)n1 1068928418 LEFLGELKYQTCDQ-SCZZXKLOSA-N 313.325 -0.413 30 20 DBED C#CCN[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@@H]1n1ccnn1 1070275374 IXUVUUPKUMYBMY-ZNMIVQPWSA-N 316.409 -0.405 30 20 DBED N#CCN1CCNC(=O)CCN(C(=O)CC[C@@H]2CCOC2)CC1 1070951309 IZOXSUICDSXLQZ-CQSZACIVSA-N 322.409 -0.023 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)c2cnn(CC)n2)CC1 1070959829 JTXJOHSBJPGSHN-UHFFFAOYSA-N 318.381 -0.805 30 20 DBED C#CCN1CC[C@@]2(C1)CN(C(=O)C1CN(C(C)=O)C1)C[C@@H](C)O2 1071159041 GPSWZXGCYIQVBH-CXAGYDPISA-N 319.405 -0.210 30 20 DBED C=CCOCC(=O)N[C@H]1CN(C(=O)C(=O)NCC2CC2)C[C@H]1C 1072610472 BOAFLERQYLBXQB-YPMHNXCESA-N 323.393 -0.322 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC(C)(NC(=O)c2nc[nH]n2)CC1 1073028043 YSMKUTCYHBZMQI-LLVKDONJSA-N 319.365 -0.046 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)c2ccc3nn[nH]c3n2)C1 1073630095 MQCJBURFXJNUAT-LLVKDONJSA-N 314.349 -0.193 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1C 1073655992 KKYPDUWTMJTJJG-SMDDNHRTSA-N 305.378 -0.111 30 20 DBED CC(C)C#CC(=O)N1CCC(O)(CNC(=O)c2nc[nH]n2)CC1 1074579340 CUGSWGLVGDDIRP-UHFFFAOYSA-N 319.365 -0.453 30 20 DBED C[C@H]1[C@@H](NCC#N)CCN1C(=O)[C@@H]1Cc2cncn2C(=O)N1 1074767281 NLJQBBHAYWHAEB-DLOVCJGASA-N 302.338 -0.532 30 20 DBED C[C@@H](CCNC(=O)c1cccn2nnnc12)NC(=O)[C@@H](C)C#N 1076682948 WSHUCIYKUJEEFU-UWVGGRQHSA-N 315.337 -0.091 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCN(C)C(=O)C2)C1 1077245647 DBGPMXPDFNCZAF-IJLUTSLNSA-N 315.801 -0.231 30 20 DBED C=CCOCC(=O)N(CC)C1CN(C(=O)c2cc(=O)n(C)o2)C1 1079490169 CZFVZAALYFDXLJ-UHFFFAOYSA-N 323.349 -0.146 30 20 DBED C#CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)c2cnn[nH]2)C1 1079774601 HCRRMGHBYLJUBR-SNVBAGLBSA-N 305.338 -0.484 30 20 DBED C=CCCN1C[C@@H](NC(=O)CN2CCC(=O)NC2=O)[C@H](C)C1 1080733173 FUHLPEPPLILDDD-VXGBXAGGSA-N 308.382 -0.059 30 20 DBED C=CCCCC(=O)N1CCC(CO)(NC(=O)CC(N)=O)CC1 1080787144 PAHVCCCDKOJALP-UHFFFAOYSA-N 311.382 -0.312 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cncnc2)C1 1081424193 BLBMAXDRFJPNGN-QWHCGFSZSA-N 320.349 -0.772 30 20 DBED CC(C)C#CC(=O)N1C[C@H](CNC(=O)CCN(C)C)[C@@H](O)C1 1081730484 SVECDWZNEKFMLG-KBPBESRZSA-N 309.410 -0.467 30 20 DBED C=C(Cl)CN1C[C@@H](NC(=O)[C@@H]2CN(C)C(=O)N2)[C@H](OC)C1 1082023571 NZYZHZJMQIPHPK-OUAUKWLOSA-N 316.789 -0.422 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)Cn1c(C)c(C)sc1=O 1082384192 IASRILYKVQKJTP-VXGBXAGGSA-N 324.406 -0.134 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2cn3c(n2)C[C@@H](C)CC3)C1 1083568807 OOQQCZIKYKODOO-SCRDCRAPSA-N 302.378 -0.127 30 20 DBED N#CCN1CC[C@@H]2CCN(C(=O)C[C@@H]3CC(=O)NC3=O)C[C@@H]21 1085107943 WOFREULILXJGRF-WOPDTQHZSA-N 304.350 -0.514 30 20 DBED C=CCN1CC[C@H]1CN(C)C(=O)[C@H]1CCN(C)S1(=O)=O 1085868405 OUOZSKNDPNTYAF-NWDGAFQWSA-N 301.412 -0.261 30 20 DBED N#CCN[C@H]1C[C@H](CNC(=O)c2cn([C@@H]3CCOC3)nn2)C1 1086529429 OUDHWPCMZSPZLR-IJLUTSLNSA-N 304.354 -0.139 30 20 DBED CCN(c1nccnc1C#N)[C@H](C)CNC(=O)[C@H]1CCNC1=O 1089723550 YSBQVHFCTQYCHR-MNOVXSKESA-N 316.365 -0.185 30 20 DBED CO[C@@H](C)C(=O)N[C@@H]1CN(c2cc(C)ncc2C#N)C[C@H]1O 1090378337 VYHWPWKQDLXZSN-ZKYQVNSYSA-N 304.350 -0.038 30 20 DBED C=CCN1CC[C@@H](NC(=O)c2c(C)c(C)nn(C)c2=O)[C@@H](O)C1 1090480935 XMSUDDLMVFSUID-OLZOCXBDSA-N 320.393 -0.252 30 20 DBED C=CCCn1cc(C(=O)NCC2CC(NCC(N)=O)C2)nn1 1091274566 WHCCJMJSOWUTJA-UHFFFAOYSA-N 306.370 -0.563 30 20 DBED C=CCNC1CC(CNC(=O)c2cn(CC(=O)N(C)C)nn2)C1 1091378419 NPISPDDOWXFFAK-UHFFFAOYSA-N 320.397 -0.350 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)Cn3nccn3)c3nccn32)C1 1092373147 PVXMAPDFOPPZOJ-NSHDSACASA-N 312.337 -0.730 30 20 DBED CNC(=O)CC(=O)N1C[C@@H](C)[C@H](CNc2cnc(C#N)cn2)C1 1092646535 LRPMOTQHAUVAHZ-GHMZBOCLSA-N 316.365 -0.009 30 20 DBED N#Cc1ccc(N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)CNC(N)=O)cn1 1092800040 TYXMAKNEPSRQNT-WXHSDQCUSA-N 314.349 -0.153 30 20 DBED CNC(=O)NCCC(=O)N1CCN(c2ccc(C#N)nn2)CC1 1093154330 WZCHPBILNBIVNX-UHFFFAOYSA-N 317.353 -0.684 30 20 DBED N#Cc1cccnc1N1C[C@H]2[C@H](NC(=O)CNC(N)=O)[C@H]2C1 1093209362 BPZZIZOZNFAHON-IAZYJMLFSA-N 300.322 -0.828 30 20 DBED CO[C@@H](C(=O)NCCNc1ccc(C#N)nn1)c1cnn(C)c1 1094012214 ZXWGLWHGYVWFFZ-CYBMUJFWSA-N 315.337 -0.002 30 20 DBED CCO[C@H]1C[C@@H]1C(=O)NCc1cn(C2CN(CC#N)C2)nn1 1094276615 QTWITNGWOWZMJU-STQMWFEESA-N 304.354 -0.300 30 20 DBED CC#CCN1CC(N2C[C@H](NC(=O)c3ncccn3)CC2=O)C1 1094804109 SFQWLTARDXCFQY-GFCCVEGCSA-N 313.361 -0.485 30 20 DBED COCCOCC(=O)N1CCC(N=c2cc[nH]c(C#N)n2)CC1 1095219584 WVTWSGUNSDMTBL-UHFFFAOYSA-N 319.365 -0.164 30 20 DBED CC(=O)N1CC(C(=O)NC[C@@H](C)N=c2cc[nH]cc2C#N)C1 1097779696 OBWJKUBUIPPETF-SNVBAGLBSA-N 301.350 -0.230 30 20 DBED C=CCN(CCO)C1CCN(C(=O)Cn2cnnc2O)CC1 1098351215 KEXOLZAHMJRVPK-UHFFFAOYSA-N 309.370 -0.545 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCC(N(CCO)CC(N)=O)CC1 1098354180 NEXWUHAYEOMQHA-HNNXBMFYSA-N 313.398 -0.916 30 20 DBED C[C@@H](CCNC(=O)c1cncnc1O)N=c1cc[nH]c(C#N)n1 1099572374 LQVKTVQVPSMRIS-VIFPVBQESA-N 313.321 -0.114 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CN(CC(N)=O)CC2(CCOCC2)C1 1099574425 FLJWNYIJIZRJAQ-NEPJUHHUSA-N 308.382 -0.381 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)c2ccncc2)[C@H](O)C1 1099620094 JBLKQJZTHYLSNG-ZIAGYGMSSA-N 318.377 -0.451 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)C2(C3CC3)CC2)[C@H](O)C1 1099884660 ARCMZTYXOPYUAP-UONOGXRCSA-N 319.405 -0.523 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)C2(CC)CC2)[C@H](O)C1 1099990122 YIYULTLXLIKMGL-CHWSQXEVSA-N 307.394 -0.523 30 20 DBED CN(CCNC(=O)COc1cnn(C)c1)c1cncc(C#N)n1 1100300975 SKWQETYOKXGMPK-UHFFFAOYSA-N 315.337 -0.287 30 20 DBED CCN(CCNC(=O)CNC(=O)NC)c1ncc(C#N)cc1F 1100750117 HOGHRAPEARSUNI-UHFFFAOYSA-N 322.344 -0.036 30 20 DBED C[C@@H](CC(N)=O)C(=O)NC[C@H]1CCN(c2cncc(C#N)n2)C1 1101035349 CZZGKTGUERCFIN-WDEREUQCSA-N 316.365 -0.198 30 20 DBED CCNC(=O)CCCC(=O)N(C)CCN=c1cc[nH]c(C#N)n1 1101697736 ADEUQPILHBUNAI-UHFFFAOYSA-N 318.381 -0.053 30 20 DBED CN(CCNc1ccc(C#N)nn1)C(=O)c1ccn2nnnc2c1 1101890155 LWCAKJWERQHSBG-UHFFFAOYSA-N 323.320 -0.030 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)c1ccn2nnnc2c1 1101890349 XUXALECOFFJHBL-UHFFFAOYSA-N 323.320 -0.608 30 20 DBED CC(C)C[C@H](CNc1nccnc1C#N)NC(=O)CNC(N)=O 1104907253 YETZSLGMPFXSGJ-SNVBAGLBSA-N 319.369 -0.041 30 20 DBED CC#CCNCc1cn(C2CN(C(=O)[C@@H]3CCCO3)C2)nn1 1105147553 ZPOUDOCTOQTCIH-AWEZNQCLSA-N 303.366 -0.047 30 20 DBED CN(CCN(C)c1ccc(C#N)nn1)C(=O)[C@H]1COCCN1C 1105373250 NZYACZRHLWVFBO-CYBMUJFWSA-N 318.381 -0.427 30 20 DBED CN(CCN(C)c1ccnc(C#N)n1)C(=O)[C@@H]1CCC(=O)N1C 1105533696 DDPNLNFTATWBFX-NSHDSACASA-N 316.365 -0.136 30 20 DBED N#Cc1cnc(NC[C@H](O)CNC(=O)C[C@H]2CCCO2)cn1 1105717880 DBSBLUIDMBGRTG-NWDGAFQWSA-N 305.338 -0.194 30 20 DBED CCC(=O)NCC(=O)NC[C@H](O)CNc1nc(C)cc(C#N)n1 1105771795 SWPHLJGUBNBLPG-NSHDSACASA-N 320.353 -0.928 30 20 DBED CCn1cnc2c(NC[C@H](O)CNC(=O)[C@@H](C)C#N)ncnc21 1105773504 IQJFMSNOUJUFQP-UWVGGRQHSA-N 317.353 -0.105 30 20 DBED CCn1ccnc1C(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1 1105801626 AKEMITVWMPTXLN-SNVBAGLBSA-N 315.337 -0.811 30 20 DBED Cc1nccn1CC(=O)NC[C@H](O)CNc1ccc(C#N)nn1 1105866851 LISLIRDNHZNTKX-GFCCVEGCSA-N 315.337 -0.558 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@@H](C)[C@H](CNCc2nnn(C)n2)C1 1106111260 KJQBVJSDBTXDAT-JHJVBQTASA-N 320.397 -0.568 30 20 DBED C[C@H](CCNc1nccnc1C#N)NC(=O)[C@@H]1CCNC1=O 1106515810 MMEOVLLHKBSXNW-NXEZZACHSA-N 302.338 -0.209 30 20 DBED C=C(C)CCN1CC(n2cc(CNC(=O)CNC(N)=O)nn2)C1 1107123395 KFGSYKCPOPVPNS-UHFFFAOYSA-N 321.385 -0.615 30 20 DBED CCO[C@@H](C(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1)C1CC1 1108546334 UROAGGFCIMOOOK-SWLSCSKDSA-N 320.393 -0.274 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)[C@H]1CCCCC(=O)N1 1108680611 PKZIYHIMCCGEAZ-WDEREUQCSA-N 316.365 -0.254 30 20 DBED C[C@@H](CC(=O)N[C@@H](C)CN(C)c1nccnc1C#N)NC(N)=O 1109096386 AXNLQTOYESGLFH-UWVGGRQHSA-N 319.369 -0.264 30 20 DBED C[C@@H](CN(C)c1ccnc(C#N)n1)NC(=O)[C@@]1(C)CNC(=O)C1 1109157076 VZQPRTPNPHNENS-ZUZCIYMTSA-N 316.365 -0.185 30 20 DBED CNC(=O)NCCC(=O)N(C)CCCNc1cncc(C#N)n1 1109438516 ZWCOYNPVTNHRPV-UHFFFAOYSA-N 319.369 -0.072 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](CNc1nccn2nnnc12)C1CC1 1109796168 QBRGRKWCFGVRTC-WCBMZHEXSA-N 300.326 -0.014 30 20 DBED CNC(=O)NCC(=O)N1CCC[C@H]1CN=c1cc[nH]c(C#N)n1 1110565103 ICMURTGNBHSADG-JTQLQIEISA-N 317.353 -0.898 30 20 DBED CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC#N 1111152373 VNZZEQBAQMXZEQ-XQHKEYJVSA-N 321.381 -0.998 30 20 DBED CCOCC(=O)N(C)[C@H]1CN(c2ncccc2C#N)C[C@@H]1O 1111169848 LZUDQRDQFLGIFR-STQMWFEESA-N 304.350 -0.002 30 20 DBED C[C@H](N=c1cc[nH]c(C#N)n1)[C@H]1CCN(C(=O)CNC(N)=O)C1 1111206212 WMBGXRNVQPZXKG-UWVGGRQHSA-N 317.353 -0.913 30 20 DBED N#Cc1cncc(NC2(CNC(=O)CNC(N)=O)CCC2)n1 1111762411 UQDMNCKJEVHNQN-UHFFFAOYSA-N 303.326 -0.533 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(c2nccnc2C#N)C[C@H]1O 1112720513 LPIWCIBZFLBGPZ-TZMCWYRMSA-N 313.361 -0.079 30 20 DBED C#CCNC(=O)CC(=O)N1CCN(C[C@H]2CCCOC2)CC1 1112774006 DNIQKDBBQFNFFH-CQSZACIVSA-N 307.394 -0.303 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCN(C[C@@H](O)Cn2cccn2)CC1 1112841777 MFPPBKYSXIOQAZ-LSDHHAIUSA-N 320.393 -0.574 30 20 DBED C=C(C)CCN1CCN(C(=O)CN(C)S(C)(=O)=O)CC1 1112915502 WZEJIKAXNZAMIK-UHFFFAOYSA-N 303.428 -0.012 30 20 DBED C[C@H](NC(=O)Cn1cnnc1O)[C@@H](C)Nc1cncc(C#N)n1 1112980927 JRRPKKQPXLYEHB-BDAKNGLRSA-N 316.325 -0.349 30 20 DBED CC[C@H](C)[C@@H](OC)C(=O)N1CCN(CC(=O)NCC#N)CC1 1113044127 LNLPKQVWNXWBCK-GXTWGEPZSA-N 310.398 -0.169 30 20 DBED C[C@H](Nc1cncc(C#N)n1)[C@@H](C)NC(=O)Cn1ncnn1 1113194459 RFSYXYQRIYLSAA-DTWKUNHWSA-N 301.314 -0.660 30 20 DBED COCC#CCN1CCN(C(=O)[C@@H](C)[C@H]2CCC(=O)N2)CC1 1113365282 CVVDDTFIRFYEHH-UONOGXRCSA-N 307.394 -0.305 30 20 DBED C[C@H](CNC(=O)CCn1ccnn1)N(C)c1ccc(C#N)nn1 1113579760 ULBZRTWQLPVSHN-LLVKDONJSA-N 314.353 -0.029 30 20 DBED C[C@H](CNC(=O)[C@@H]1CNC(=O)N1)N(C)c1ncccc1C#N 1113870376 XRFXALJTDJTVEM-KOLCDFICSA-N 302.338 -0.424 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)c3cc(C)nn3C)[C@@H]2C1 1113943412 XLQYBRUWNDQDSI-VXGBXAGGSA-N 317.393 -0.309 30 20 DBED CCN(CCC#N)C(=O)CN1C[C@H]2[C@H](NC(=O)[C@H](C)C#N)[C@H]2C1 1114064452 REJKGPLBBQMESX-CXTNEJHOSA-N 317.393 -0.045 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)C[C@@H]3CCCC(=O)N3)[C@@H]2C1 1114540683 VSTQFORWTFRSRZ-BFHYXJOUSA-N 319.405 -0.259 30 20 DBED N#CCC1CCN(C(=O)C(=O)NCCCN2CCOCC2)CC1 1116977189 NYGUYGPREKZHGY-UHFFFAOYSA-N 322.409 -0.023 30 20 DBED C#CCOCCNC(=O)C(=O)NCc1cn2ccsc2n1 1116979790 HQBUJGJZGBMUNU-UHFFFAOYSA-N 306.347 -0.222 30 20 DBED C=CC[C@H](CC)NC(=O)C(=O)N1CCO[C@@H](CNC(C)=O)C1 1117348467 JAKZWWGSTGLCHM-STQMWFEESA-N 311.382 -0.179 30 20 DBED C[C@]1(C#N)CCCN(C(=O)C(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)C1 1117605076 GMBKHZHUJZEWDQ-ZIBATOQPSA-N 322.365 -0.712 30 20 DBED C=C(C)CN(CC)C(=O)C(=O)N1C[C@H]2C(=O)N(C)C(=O)[C@H]2C1 1118935385 NEOAUTNBHYPXIH-PHIMTYICSA-N 307.350 -0.516 30 20 DBED C=CCC1(O)CCN(C(=O)CCn2cc[nH]c(=O)c2=O)CC1 1119669605 QZSXFIWUOUHNKY-UHFFFAOYSA-N 307.350 -0.144 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H](CO)Nc1ccnc(C)n1 1122769461 KMJIBKIOMHRFGD-KGLIPLIRSA-N 317.393 -0.228 30 20 DBED C[C@H]1[C@H](Nc2cnc(C#N)cn2)CCN1C(=O)CCNC(N)=O 1123013308 UQPMBIZJMBEGOJ-GXSJLCMTSA-N 317.353 -0.192 30 20 DBED C[C@H]1[C@@H](NC(=O)CNC(N)=O)CCCN1c1ccnc(C#N)n1 1123514389 QXYGYBMRRRESAW-UWVGGRQHSA-N 317.353 -0.510 30 20 DBED COC[C@H](C)C(=O)N(C)C[C@H](O)CN=c1cc[nH]cc1C#N 1124195765 AJSUFAAHZXSJPR-WCQYABFASA-N 306.366 -0.111 30 20 DBED CN(C[C@@H](O)CN(C)c1cncc(C#N)n1)C(=O)c1cocn1 1124989345 UVKWEAFTJZQEDP-NSHDSACASA-N 316.321 -0.094 30 20 DBED C=CCOCCCC(=O)NCCNCC(=O)NC(=O)NCC 1125247771 GLXQYQJRGPPSLU-UHFFFAOYSA-N 314.386 -0.479 30 20 DBED CC(C)N(CCN(C)c1cnc(C#N)cn1)C(=O)CNC(N)=O 1125435954 ZQPYXAWAKPMTFW-UHFFFAOYSA-N 319.369 -0.310 30 20 DBED COCCN(CCNC(=O)[C@@H](C)OC)c1cnc(C#N)cn1 1126238189 LLZNVTOSNQXBQN-LLVKDONJSA-N 307.354 -0.048 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@H]1CCCO[C@H]1C(C)C 1127624197 JQLQEAFIBNQNOF-ZFWWWQNUSA-N 309.410 -0.107 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1nc2cccnc2s1 1129565389 VHUOZQSYEGIJKH-UHFFFAOYSA-N 317.374 -0.240 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)c1ccnnc1C 1130865482 ZAHKCRDUOGQDPW-UHFFFAOYSA-N 318.381 -0.133 30 20 DBED C#CCCN1C[C@H]2C[C@H]3CN(C(=O)CC(=O)NCC)C[C@@]3(C1)O2 1131220794 SACVIXXJDHOICE-JJRVBVJISA-N 319.405 -0.162 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@@H]1CCc2cnn(C)c2C1 1132896294 XKFGSKLTMABCOA-GFCCVEGCSA-N 319.409 -0.467 30 20 DBED C=CCCC1(C(=O)NCCNCCN2C(=O)CNC2=O)CC1 1133374165 ONRPQVIJHGVFPB-UHFFFAOYSA-N 308.382 -0.010 30 20 DBED C=C1CC(C)(C(=O)NCCNCC(=O)N2CCNC(=O)C2)C1 1133570159 MCFPJLHTUNTIJP-UHFFFAOYSA-N 308.382 -0.993 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)c1ccnnc1 1134291855 JNAWDAIZGXMPJL-SNVBAGLBSA-N 320.353 -0.804 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NCCNC[C@@H](O)COC 1134816661 GRBDVFWIVORTPD-OLZOCXBDSA-N 301.387 -0.830 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)c1nc(C)c[nH]1 1135655609 OWPBBJCFWGXXSF-MNOVXSKESA-N 305.382 -0.046 30 20 DBED C=CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)C1(C(=O)NC)CC1 1135675722 KSZVFAYTMCBAOI-RYUDHWBXSA-N 324.425 -0.312 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)[C@H]1CCCN1C)C2 1147212084 MQMORDBNQPQJDG-CQSZACIVSA-N 318.421 -0.636 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CN(Cc2nnnn2C)CCCO1 1149399282 RQQJLXZNINMLAB-QWRGUYRKSA-N 307.358 -0.923 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)[C@@H](C)n1cccn1 1152030980 NFLPHDMTBFICTF-CHWSQXEVSA-N 320.397 -0.090 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)[C@@H](OC)C1CC1 1153040872 FJERQGWBPNTBND-DOMZBBRYSA-N 309.410 -0.013 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1ncccc1OCC 1153921491 YZRWQCBFOMZSJL-GFCCVEGCSA-N 318.377 -0.062 30 20 DBED C=CCN(CC=C)C(=O)CNCCCNC(=O)[C@@H]1COC(=O)N1 1157369653 BCUBPFUBDQBQIE-LBPRGKRZSA-N 324.381 -0.609 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1ccn(C(F)F)n1 1158873847 CWVLCJKMDMOKPT-UHFFFAOYSA-N 313.308 -0.263 30 20 DBED N#CCNC(=O)CNCC1(CCNC(=O)Cn2cccn2)CC1 1163440380 YVHSRHAZDLXDGC-UHFFFAOYSA-N 318.381 -0.601 30 20 DBED C[C@H]1OCC[C@@H]1C(=O)NCCC1(CNCC(=O)NCC#N)CC1 1167535409 KNWDECLKKPPXKF-OLZOCXBDSA-N 322.409 -0.073 30 20 DBED C#CCNC(=O)CNCCCNC(=O)C[C@H](C)n1cccn1 1170578620 DXHACBALRFFYFC-ZDUSSCGKSA-N 305.382 -0.321 30 20 DBED C#CCNC(=O)CNCCCC[C@H](C)NC(=O)Cn1ccnc1 1176824304 CUCGLBYSWPZHCO-AWEZNQCLSA-N 319.409 -0.103 30 20 DBED C#CCNC[C@H]1C[C@H]2CC[C@H]1N(C(=O)CN1CCOCC1=O)C2 1177792585 KTTGHGBMFDBUOS-RBSFLKMASA-N 319.405 -0.305 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](NCCC[C@@H](C)O)[C@@H]1C 1178508429 DABQFOBKCZGBAL-RDBSUJKOSA-N 309.410 -0.134 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC[C@H](NCC(=O)NCC#N)[C@@H]1C 1180268415 ANQUKDRYKNYIAB-AVGNSLFASA-N 308.382 -0.204 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2cc[n+]([O-])cc2)C1 1180781145 ZNLRZUIQWJLRGW-GXTWGEPZSA-N 318.377 -0.185 30 20 DBED C[C@H](N[C@@H]1CCN(C(=O)CSCC#N)C1)C(=O)NC(N)=O 1181124174 MEJYADJGJQCBHQ-DTWKUNHWSA-N 313.383 -0.983 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)CCn2ccnn2)C1 1182188592 WTYVZNGVDZDZEF-QWHCGFSZSA-N 320.397 -0.451 30 20 DBED C#CCNC(=O)CNC[C@H]1CCN(C(=O)CC(C)(C)O)C[C@@H]1C 1184275030 VZFIWKNJCMCGFK-UONOGXRCSA-N 323.437 -0.029 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2cc(C)on2)C1 1188775782 IAQPDLNPGJFDSK-LBPRGKRZSA-N 304.350 -0.121 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2c[nH]nc2CC)C1 1191101704 UAIVFBFHPIIVQP-GFCCVEGCSA-N 317.393 -0.132 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(CCOCC2CC2)C[C@H]1O 1192540083 MXBDVTRYOSXFOK-FMKPAKJESA-N 312.410 -0.099 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2ccc(C)cc2)C1 1198080861 JLGBLHIXORVQIR-HUUCEWRRSA-N 315.373 -0.481 30 20 DBED C#CCCCC(=O)N1CCCO[C@@H](CN[C@H]2CCNC2=O)C1 1200403790 AEYARBQMXJJXDG-KBPBESRZSA-N 307.394 -0.115 30 20 DBED C#CCNC[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)CCCO1 1201041568 DHUYBCFVWNFSQR-XUWVNRHRSA-N 322.405 -0.122 30 20 DBED N#CCNC[C@@H]1CN(C(=O)c2cc(C(N)=O)co2)CCCO1 1201395766 OBJGTEOABPTHRS-LLVKDONJSA-N 306.322 -0.277 30 20 DBED COCC#CCNC1CCN(C(=O)[C@H]2CCN(C)C2=O)CC1 1202069227 WRLRMMYBIOWUJT-AWEZNQCLSA-N 307.394 -0.305 30 20 DBED Cc1ccn(CC(=O)N2CCC(NCC(=O)NCC#N)CC2)n1 1202539944 RRJCDSQUUGZQGC-UHFFFAOYSA-N 318.381 -0.588 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)[C@H]2C[C@@]23CCOC3)CC1 1203228051 CXPJCNYGTHGJCP-RHSMWYFYSA-N 319.405 -0.257 30 20 DBED N#CCNC(=O)CNCC1CCN(C(=O)c2cncnc2)CC1 1205044970 PHJGEOADYUZEOF-UHFFFAOYSA-N 316.365 -0.442 30 20 DBED Cc1cc(CC(=O)N2CCC[C@H](NCC(=O)NCC#N)C2)n[nH]1 1207776961 MUVNKZJCMKKFKX-LBPRGKRZSA-N 318.381 -0.519 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@H](NCc2cnsn2)C1 1207869629 IZIPZVOPLTXOAA-NSHDSACASA-N 321.406 -0.242 30 20 DBED C=CCCN1C[C@@H](NC(=O)CS(=O)(=O)N(C)C)[C@H](OC)C1 1213798456 HEVRPFBYNOEWPA-VXGBXAGGSA-N 319.427 -0.731 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@H](CCCC)NC(N)=O)[C@H](OC)C1 1213975587 NTYDUFNFWJBKKQ-YNEHKIRRSA-N 310.398 -0.338 30 20 DBED C=CCNC(=O)[C@H](C)N1CC[C@@H]2CN(C(=O)c3cnon3)[C@@H]2C1 1221883283 XOGILHIIQXYQHC-DMDPSCGWSA-N 319.365 -0.093 30 20 DBED C[C@H]1CN(C(=O)CN2CCC(NC(=O)[C@@H](C)C#N)CC2)CCO1 1226640374 MUMSDQGZLJUMGN-STQMWFEESA-N 322.409 -0.026 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CCCC(N)=O 1230355070 GOFNBFPRBLJMMT-CHWSQXEVSA-N 322.409 -0.592 30 20 DBED COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)N[C@@H](C)C#N 1255847865 XVDPJRARFYXBND-ZETCQYMHSA-N 313.335 -0.007 30 20 DBED C[C@@H]1CCN(C(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1 1258364064 MIWLNFLXIJHDNL-JBEXSADBSA-N 320.349 -0.503 30 20 DBED N#CCNC(=O)COC(=O)Cc1ccc(S(N)(=O)=O)cc1 1318330333 MNPQIRIVRYDSIL-UHFFFAOYSA-N 311.319 -0.941 30 20 DBED C=CC[C@H](NC(=O)[C@@H](NC(=O)C1CC1)[C@H](C)O)C(=O)OCC 1320131107 BSXGSMYCVBJZLY-DLOVCJGASA-N 312.366 -0.114 30 20 DBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCCC(=O)N(C)C 1321857717 RKXVWCDGZYXUEQ-AAEUAGOBSA-N 311.382 -0.322 30 20 DBED C=CCN(C(=O)CCS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1323018643 HYLKYSLJWMQUGP-JTQLQIEISA-N 309.409 -0.377 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@@H]1CC(=O)N(C2CC2)C1)[C@@H]1CCCO1 1325430891 IDDDMGPZIPZDGQ-WXHSDQCUSA-N 319.361 -0.837 30 20 DBED Cc1nn(C)c(NC(=O)C(=O)N2CC[C@](O)(CC#N)C2)c1C 1326087636 KQMBWZLYNVVUMC-CQSZACIVSA-N 305.338 -0.147 30 20 DBED CCN(C)C(=O)[C@H](C)NC(=O)C(=O)Nc1cccc(C#N)n1 1328223808 MDLSQSQRWAWPOZ-VIFPVBQESA-N 303.322 -0.125 30 20 DBED C[C@@H]1COC[C@H]1NC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1333740563 KQENLUOZFJLLIX-RAIGVLPGSA-N 306.366 -0.664 30 20 DBED C#CCCCCNC(=O)C(=O)N[C@H](C)CS(=O)(=O)CC 1342181971 AIIORHPYSLHWNB-LLVKDONJSA-N 302.396 -0.155 30 20 DBED C[C@@H](C(=O)NCCn1cc(C#N)c(O)nc1=O)n1ccnc1 1363284494 DBMGJEZKKLIZTQ-VIFPVBQESA-N 302.294 -0.606 30 20 DBED CCC[C@H](NC(=O)Cn1cc(C#N)c(O)nc1=O)C(=O)OC 1363904942 ZRMNKZLHVFEGER-VIFPVBQESA-N 308.294 -0.722 30 20 DBED Cn1c(=O)[nH]c(N2CCOC[C@H]2[C@H]2CCCO2)c(C#N)c1=O 1364177748 JXXIOZFNDCDVES-WDEREUQCSA-N 306.322 -0.671 30 20 DBED C[C@H](C#N)C(=O)NCCN(C(=O)c1ccc(C(N)=O)[nH]1)C1CC1 1388679210 TVUJLJWMGHEQEZ-SECBINFHSA-N 317.349 -0.006 30 20 DBED CC(C)[C@@H](CNC(=O)c1c[nH]c(=O)cn1)NC(=O)[C@@H](C)C#N 1388945739 YSOXKQUDUNFFRI-VHSXEESVSA-N 305.338 -0.200 30 20 DBED CCCCS(=O)(=O)CC(=O)N1CC(NC(=O)[C@H](C)C#N)C1 1389410028 XDOPMLQWXVXIFC-SNVBAGLBSA-N 315.395 -0.312 30 20 DBED C[C@H](CN(C)C(=O)CCN1CCOCC1)NC(=O)[C@H](C)C#N 1395627202 XYSHIDWAODPICE-CHWSQXEVSA-N 310.398 -0.169 30 20 DBED CCN(CCNC(=O)c1cn(CCOC)nn1)C(=O)[C@H](C)C#N 1398087466 OOODZSXCPQXQLZ-LLVKDONJSA-N 322.369 -0.338 30 20 DBED C[C@H](C#N)C(=O)N(C)C[C@H]1CCN(C(=O)CN2CCOCC2)C1 1408990515 ZTDUHQOJHUWKDU-ZIAGYGMSSA-N 322.409 -0.215 30 20 DBED Cc1ccc(C#N)cc1C(=O)N1CCN(CC(N)=O)C(=O)C1 1413147964 UGQCLPZIYWNMPC-UHFFFAOYSA-N 300.318 -0.364 30 20 DBED COCCN(CCC#N)S(=O)(=O)NC[C@]1(C)CCC(=O)N1 1424183324 CYTDXDWTQOOESQ-LBPRGKRZSA-N 318.399 -0.648 30 20 DBED COCCN(CCNC(=O)[C@@H](C)C#N)C(=O)c1cnccn1 1428425187 PVHGQHQYHGGVPG-NSHDSACASA-N 305.338 -0.159 30 20 DBED Cc1nc2n(n1)C[C@H](Nc1[nH]c(=O)n(C)c(=O)c1C#N)CC2 1434435382 BUUXSEHSGCMAPA-MRVPVSSYSA-N 301.310 -0.728 30 20 DBED CCN(CCNC(=O)[C@@H](C)C#N)C(=O)[C@@H]1CCCN1C(N)=O 1455657402 NCJZTBJWZOKGRT-QWRGUYRKSA-N 309.370 -0.346 30 20 DBED CC(C)(CCS(=O)(=O)N1CCO[C@@H](C#N)C1)S(C)(=O)=O 1463014249 AHWHXCLEFMNKQW-JTQLQIEISA-N 324.424 -0.246 30 20 DBED C[C@H](C#N)C(=O)NCCN1CCN([C@H](C)C(=O)NC2CC2)CC1 1479928176 HNQNADXADLAIRZ-CHWSQXEVSA-N 321.425 -0.453 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)Cc2cncn2C)C1 1479968714 OVGKKCIKMIFUGB-LBPRGKRZSA-N 305.382 -0.545 30 20 DBED C=CCOCCNC[C@@H]1CCCCN1C(=O)c1nnn(C)n1 1480357265 QPKKGFRKPRKKPS-LBPRGKRZSA-N 308.386 -0.003 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@H](NCC(=O)NC2CCOCC2)C1 1490878410 JWFBRKAMIOOSGV-DRZSPHRISA-N 308.382 -0.322 30 20 DBED C[C@H](C#N)C(=O)N(C)CCN(C)CC(=O)NC(=O)NC1CC1 1496680291 ROJRVYZSLLXEIR-SNVBAGLBSA-N 309.370 -0.476 30 20 DBED Cc1ncc(CC(=O)NCC[C@H](C)NCC(=O)NCC#N)o1 1503249389 IDFKVPBXZPXSDQ-JTQLQIEISA-N 307.354 -0.350 30 20 DBED C=CCn1c(CO)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1520541700 RQVSPXBBCBFMBJ-JTQLQIEISA-N 300.384 -0.030 30 20 DBED C#CC[C@H](NC(=O)c1cccn(CC(=O)O)c1=O)C(=O)OC 1573318334 NRXANPFTSIPCSU-JTQLQIEISA-N 306.274 -0.772 30 20 DBED COC[C@]1(CO)CCN(c2cnc(C#N)c(-c3nn[nH]n3)n2)C1 1579746782 HWDFZGIRVJALLT-CYBMUJFWSA-N 316.325 -0.636 30 20 DBED N#Cc1ncc(N2CCCC3(C2)OCCO3)nc1-c1nn[nH]n1 1581881876 DAFBLLNFBRGQEF-UHFFFAOYSA-N 314.309 -0.128 30 20 DBED N#Cc1ncc(N2CCOC[C@@H]2CCO)nc1-c1nn[nH]n1 1581882805 IATJWWFKVLTRFM-QMMMGPOBSA-N 302.298 -0.884 30 20 DBED C#C[C@H](CO)NC(=O)COc1ccc(-c2nn[nH]n2)cc1OC 1588327703 OXKIFUJXRJYDCQ-SNVBAGLBSA-N 317.305 -0.636 30 20 DBED C#CC1(O)CCN(S(=O)(=O)c2cc(C(=O)O)n(C)c2)CC1 1588379705 PJGOPZDZVAPOQQ-UHFFFAOYSA-N 312.347 -0.128 30 20 DBED C#CCSCC(=O)NC[C@]1(C(=O)O)C[C@@H]1S(C)(=O)=O 1588506217 JXTAWIWFENKLRP-GZMMTYOYSA-N 305.377 -0.643 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C(=O)O)C2CC2)C1=O 1588832655 USLYGJZUIMVLNB-SECBINFHSA-N 310.262 -0.630 30 20 DBED N#Cc1cccc([C@@H](O)CN2CCN(C(=O)C(=O)O)CC2)c1 1594625846 PKEYHOLGGPSPNM-ZDUSSCGKSA-N 303.318 -0.180 30 20 DBED C[C@@H](OC(=O)[C@@H](C#N)Cc1ccc(-c2nn[nH]n2)cc1)C(N)=O 1609130910 YLAHFQDBNSWWSX-LDYMZIIASA-N 314.305 -0.034 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)[C@@]23CCCN(CC2)C3)C1 1732153118 KREZILXDEJEHRU-YOEHRIQHSA-N 318.421 -0.588 30 20 DBED C#CCN(C)C[C@H]1CCCN(C(=O)c2cn(C)c(=O)nc2O)C1 1752524921 JEBMQGMILTVJBI-GFCCVEGCSA-N 318.377 -0.097 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H](C)CNC(=O)Cc1[nH]cnc1C 1752913523 JIZKSNJGCUQFFF-JQWIXIFHSA-N 305.382 -0.507 30 20 DBED C#CCN(CCC)CCNC(=O)C[C@@]1(C)CCS(=O)(=O)N1 1753149866 RVDLPMXQHNSZKK-CQSZACIVSA-N 315.439 -0.080 30 20 DBED C=CCNC(=O)CN1CC[C@H](N(CC)C(=O)CN(C)C(C)=O)C1 1753452194 TZODFGOFZUABND-AWEZNQCLSA-N 324.425 -0.310 30 20 DBED C=CCCNCC1(NC(=O)c2cn(CC(N)=O)nn2)CCCC1 1753511452 HQNMLRIAZTVLNB-UHFFFAOYSA-N 320.397 -0.028 30 20 DBED COCC#CCNC[C@H](C)CNC(=O)c1cccc(=O)n1C 1753629221 JQMWRTYFMGHMCE-ZDUSSCGKSA-N 305.378 -0.009 30 20 DBED C#CCNC(=O)CNC[C@H](C)NC(=O)c1cnn(CCC)c1 1754286126 YHGAOQVLLIXLFE-LBPRGKRZSA-N 305.382 -0.250 30 20 DBED COCC#CCNC[C@@H](NC(=O)c1cn(C)c(=O)n1C)C1CC1 1754461295 KKMXGDGKDYLMIZ-CYBMUJFWSA-N 320.393 -0.528 30 20 DBED C#CCCNC[C@@H]1CCCN1C(=O)c1cn(C)c(=O)n(C)c1=O 1754617108 DCRICJNNMDNABE-LBPRGKRZSA-N 318.377 -0.699 30 20 DBED Cc1ncoc1C(=O)N[C@@]1(C)CCN(CC(=O)NCC#N)C1 1754670614 KKABYQIEMLSARM-AWEZNQCLSA-N 305.338 -0.183 30 20 DBED Cc1cn2c(n1)C[C@H](C(=O)NC[C@]1(O)CCN(CC#N)C1)CC2 1754752275 FHHOXLUCTQZHTK-CZUORRHYSA-N 317.393 -0.170 30 20 DBED C#CCNC(=O)CN1CC[C@@](O)(CNC(=O)c2nccs2)C1 1754760417 PASJKWZVEBMGCQ-CQSZACIVSA-N 322.390 -0.941 30 20 DBED C#CCNC(=O)CN[C@@H](C)[C@H]1CCN(C(=O)c2cn[nH]c2)C1 1754787380 JITDZAXDGZFPSV-RYUDHWBXSA-N 303.366 -0.401 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)c2cc[nH]n2)C(C)(C)C1 1755137536 UVFJJGDZZYHQSG-ZDUSSCGKSA-N 317.393 -0.011 30 20 DBED C[C@@]1(C(=O)NC2CC(CNCC(=O)NCC#N)C2)CCCOC1 1755219157 GLGIZNFCVYEIEP-SEEARECTSA-N 322.409 -0.073 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](CNC(=O)[C@@H]3[C@H]4COC[C@H]43)[C@H]2C1 1755427543 HBFXSDRHNYMDHU-YUPYMHCMSA-N 319.405 -0.525 30 20 DBED C#Cc1ccc(C(=O)N(C)C[C@@H](C)NCc2nnnn2C)cn1 1755614661 OMXPVLUYEVKPTK-LLVKDONJSA-N 313.365 -0.163 30 20 DBED C=CCNC(=O)CNC[C@@H](O)CN(C)C(=O)c1cnn(C)c1C 1755773869 WOCSJFYHJNEEAC-GFCCVEGCSA-N 323.397 -0.947 30 20 DBED C#CCOCCC(=O)NCC1CC(NC(=O)[C@@H]2CCC(=O)N2)C1 1755940735 MUAZDAQZVDEQED-BPCQOVAHSA-N 321.377 -0.684 30 20 DBED C#CCOCCC(=O)N[C@H](C)CN(C)C(=O)Cc1cc[nH]n1 1756440698 DKXZDQVUQCMECC-GFCCVEGCSA-N 306.366 -0.045 30 20 DBED C=CCOCC(=O)NC1CC(N(C)C(=O)[C@@]2(C)CCNC2=O)C1 1756750081 ONMREBDBTWWHFS-PPUFBPAQSA-N 323.393 -0.179 30 20 DBED CC#CCCCC(=O)N(CCO)[C@@H]1CCCN(C(=O)C(N)=O)C1 1757465651 OLYROXXDJVPZCU-CYBMUJFWSA-N 323.393 -0.523 30 20 DBED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@]3(C)CCCN3)C2)C1 1781142679 JIRCJROWYPRHAQ-CVEARBPZSA-N 305.378 -0.408 30 20 DBED CC(C)(C#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN)[C@H]2C1 1786793614 VVCIRXAMVKOIBR-SRVKXCTJSA-N 308.382 -0.525 30 20 DBED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CC)C2 1802016451 ILAQBDIGKHDJIS-XFMPKHEZSA-N 308.378 -0.240 30 20 DBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)C3(F)CCC3)C2)C1 1839811043 CRFOXAIOPGQFJJ-HNNXBMFYSA-N 324.352 -0.032 30 20 DBED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)c2ncc[nH]2)C1 1842303738 KPVDMYBRAPKSIW-UHFFFAOYSA-N 302.290 -0.685 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(OC)OC 1847691758 LAVCTXFUEGSRIC-AVGNSLFASA-N 324.377 -0.155 30 20 DBED CCN(CC)S(=O)(=O)CC(=O)N1CCN(CC#N)CC1 73851919 VRNZSSQGXSXVKM-UHFFFAOYSA-N 302.400 -0.674 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 88595417 WSSBTHUUMDIOJZ-HUUCEWRRSA-N 320.437 -0.247 30 20 DBED CN1CCO[C@@H](C(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1 266837989 OGGLPPDDVGNJFR-CQSZACIVSA-N 315.377 -0.068 30 20 DBED C#C[C@@H](C)NC(=O)C(=O)Nc1cccc(S(=O)(=O)NC)c1C 275910969 GLZWALHEEHEEBP-SECBINFHSA-N 323.374 -0.020 30 20 DBED COC(=O)[C@H](NS(=O)(=O)Cc1ccc(C#N)cc1)[C@@H](C)O 289102423 HJVHEHKUYHCPOH-BXKDBHETSA-N 312.347 -0.100 30 20 DBED C=C[C@@H](CO)NC(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C 290334199 HUBQNBUEUNDQIH-QMMMGPOBSA-N 319.321 -0.699 30 20 DBED C[C@@H](CN1CCN(C)CC1)/N=C(/O)N1CCN(C2CC2)C(=O)C1 328831746 RHVWKWBMTRNYIT-ZDUSSCGKSA-N 323.441 -0.157 30 20 DBED O/C(=N/C[C@@H]1COCCO1)N1CCN(C[C@H]2CCOC2)CC1 330198157 SVQBJOHPIISEEZ-ZIAGYGMSSA-N 313.398 -0.030 30 20 DBED C[C@H](O)CN1CCN(/C(O)=N/[C@H](C)CS(C)(=O)=O)C[C@H]1C 330860935 RYETYHBXCASBKG-UTUOFQBUSA-N 321.443 -0.280 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H]2CCC[C@@H]2OC)C1=O 341618338 XPAXCJTXUXSAJA-MNOVXSKESA-N 323.349 -0.106 30 20 DBED CCCN(CC#N)CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1 344719205 YIVHYTRTCHRNJM-JTQLQIEISA-N 316.383 -0.765 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@H](O)C[C@H]2C)C1=O 346713521 GQKHWTYRDFGLIX-ZJUUUORDSA-N 309.322 -0.665 30 20 DBED C=CCNC(=O)CNC(=O)N1CCC[C@H]1CS(=O)(=O)NC 346856484 SEQYHSBMFBHHNA-JTQLQIEISA-N 318.399 -0.988 30 20 DBED CCn1cc(S(=O)(=O)N(CC#N)CC(=O)OC)nc1C 347969293 TUEMWRKWPYLIKQ-UHFFFAOYSA-N 300.340 -0.101 30 20 DBED C=C[C@@H](CO)NS(=O)(=O)C1CN(C(=O)c2ccccc2)C1 349784226 PDHVXZYUUOEDEO-LBPRGKRZSA-N 310.375 -0.023 30 20 DBED N#Cc1ccccc1OC[C@H](O)CN1CC[C@H](O)[C@@H](CO)C1 396839838 BGZVLKURVNXKJP-KFWWJZLASA-N 306.362 -0.027 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2CC[C@@H](C)O2)C1=O 422474642 HEZNCPCSCORSHG-AGIUHOORSA-N 323.393 -0.085 30 20 DBED COCCOC1CN(C(=O)C(=O)Nc2ccn(CCC#N)n2)C1 441499513 LIZRTWBUOPVNFT-UHFFFAOYSA-N 321.337 -0.391 30 20 DBED C=CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@@H](O)CO)cc1 446807022 VMUSWAZUVHEKQB-GFCCVEGCSA-N 321.333 -0.990 30 20 DBED C#CCNS(=O)(=O)c1ccc(C(=O)Nn2cnnc2O)cc1 490922785 GVVAWBVUNACHCZ-UHFFFAOYSA-N 321.318 -0.721 30 20 DBED C#CCNC(=O)CN1CCN(CCNC(=O)OC(C)(C)C)CC1 491073425 ZAAVQKUWIQBYRN-UHFFFAOYSA-N 324.425 -0.122 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@H](O)CCCCC)CC1 491646329 SUNSZWOHKUVDMA-CQSZACIVSA-N 309.410 -0.179 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2cc(Cl)n(C)n2)CC1 491676493 OAFIDGJRHQERTK-UHFFFAOYSA-N 323.784 -0.419 30 20 DBED COC(=O)CCN(C[C@@H]1CCCO1)C(=O)Cn1cnc(C#N)n1 532029221 AHONGDQDMBGDCR-NSHDSACASA-N 321.337 -0.280 30 20 DBED CNS(=O)(=O)N1CCN(C(=O)Cc2cccc(C#N)c2)CC1 568048708 YQMFXJUCBXRQMV-UHFFFAOYSA-N 322.390 -0.291 30 20 DBED N#CCN1CCC(NC(=O)C(=O)N2CCOC3(CCC3)C2)CC1 588124676 GHURVUCHXNPTEE-UHFFFAOYSA-N 320.393 -0.128 30 20 DBED N#CC1CN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)C1 590089116 ANQRONLJRMKDTK-UHFFFAOYSA-N 301.349 -0.522 30 20 DBED CNC(=O)CN(C)C(=O)C(=O)Nc1cc(OC)c(C#N)cc1F 599938291 LSXNHVNJIFVTGK-UHFFFAOYSA-N 322.296 -0.151 30 20 DBED C[C@@H](Cn1cccn1)NC(=O)C(=O)N1CCN(CCC#N)CC1 602228855 WETHGJODLXOQIY-ZDUSSCGKSA-N 318.381 -0.554 30 20 DBED Cc1nn(CN2CCO[C@H](C#N)C2)c(=S)n1CC(=O)N(C)C 729987163 VFGGCORHLVBGEU-LLVKDONJSA-N 324.410 -0.007 30 20 DBED CNC(=O)CNC(=S)NN=Cc1cccc(OCC(=O)O)c1 733204369 PZSYWUGRZQFGCZ-UHFFFAOYSA-N 324.362 -0.306 30 20 DBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCC1(O)CCC1 740721184 GMXSFRKUTKBWKN-UHFFFAOYSA-N 323.374 -0.244 30 20 DBED CNC(=O)[C@@H](O)CNS(=O)(=O)c1cccc(F)c1C#N 757723152 AISRDLYHOIUZFQ-VIFPVBQESA-N 301.299 -0.917 30 20 DBED N#CCNC(=O)CNS(=O)(=O)c1csc([N+](=O)[O-])c1 796217694 NXASFAZNDNDXNY-UHFFFAOYSA-N 304.309 -0.426 30 20 DBED C=CCN1CC[C@H](OC(=O)c2ccc(S(N)(=O)=O)o2)C1=O 798593736 VWTXZXWEFUCJNT-QMMMGPOBSA-N 314.319 -0.129 30 20 DBED C#CCC[C@H](O)CNC(=O)c1ccc(S(=O)(=O)NC)o1 799083571 GRCKRMKTENTXNI-VIFPVBQESA-N 300.336 -0.308 30 20 DBED C#CCN1CCN(C(=O)c2nnn(-c3ccn(C)n3)c2C)CC1 815593973 CEZPWYNHQALRQA-UHFFFAOYSA-N 313.365 -0.300 30 20 DBED C#CC[C@H](NS(=O)(=O)c1ccc2c(c1)nnn2C)C(=O)OC 827684831 YJUOZNRYNCEWME-JTQLQIEISA-N 322.346 -0.189 30 20 DBED CCNS(=O)(=O)CCNCc1cnc2c(C#N)cnn2c1 843398738 CFPZKIDZSYNRQH-UHFFFAOYSA-N 308.367 -0.370 30 20 DBED C#CCNS(=O)(=O)N1CCN(CC[C@@H]2CCOC2)CC1 895920231 HAWUWKDDZDSYGE-CYBMUJFWSA-N 301.412 -0.502 30 20 DBED Cc1c(C(=O)NCC#CCN(C)C)nnn1-c1cnn(C)c1 913522929 FUTHNBOBLBYLJD-UHFFFAOYSA-N 301.354 -0.396 30 20 DBED CCOCCCNC(=O)[C@@H](C#N)C(=O)CN(C)S(C)(=O)=O 916869532 XLJBVKXTSFNWKC-JTQLQIEISA-N 319.383 -0.871 30 20 DBED C=CCN(CCOC)C(=O)C(=O)NCC1CC2(C1)OCCO2 932568443 BYZUSQQFRYQKBA-UHFFFAOYSA-N 312.366 -0.083 30 20 DBED CO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1NC(=O)c1ccc(O)nn1 941109351 WSKUFTPMNQMSBS-FBIMIBRVSA-N 319.321 -0.703 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2CCC[C@H]2NC(=O)C(N)=O)cn1 946295929 YEQHBJMTUMVRIH-GXFFZTMASA-N 314.345 -0.437 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CNC(=O)[C@H]2CC(=O)N(C)C2)CC1 949390446 FYQNSZRJVHSSEV-AAEUAGOBSA-N 320.393 -0.021 30 20 DBED C[C@H](C#N)C(=O)N1CC(N(C)C(=O)c2cc(C(N)=O)co2)C1 955321438 SKNUYMNNPBFARL-MRVPVSSYSA-N 304.306 -0.179 30 20 DBED C[C@H]1C[C@@H](NC(=O)C(N)=O)CCN1C(=O)c1c[nH]c(C#N)c1 955629144 IVSXUFBPSPLEEF-WPRPVWTQSA-N 303.322 -0.519 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@](C)(NC(=O)c2cn(C)c(=O)cn2)C1 957277669 WZANJOYIVVGGHS-BONVTDFDSA-N 317.349 -0.339 30 20 DBED N#CCN1C[C@H](CNC(=O)c2cnc3[nH]ncc3c2)[C@@H](O)C1 958176118 QFBNIKPSQOQMBK-RYUDHWBXSA-N 300.322 -0.496 30 20 DBED C=CCCN1C[C@H](CNC(=O)c2ccn(C)c(=O)c2)[C@@H](O)C1 958184055 UFWKNUTUPKNORU-KBPBESRZSA-N 305.378 -0.016 30 20 DBED CC#CCN1C[C@@H](O)[C@H](CNC(=O)c2cc3n(n2)CCCO3)C1 958255233 WYMLKWBBXCWMAR-TZMCWYRMSA-N 318.377 -0.289 30 20 DBED Cc1cc(C(=O)N(C)[C@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)on1 958496768 GJWNFWOXKWIQNX-LSJOCFKGSA-N 306.322 -0.214 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2csnn2)C1 958900441 IPSSFXFYVPHXGW-JEZHCXPESA-N 309.351 -0.659 30 20 DBED Cc1cc(C(=O)N2C[C@H]3[C@@H](C2)OCCN3C(=O)[C@H](C)C#N)n[nH]1 960884960 VMAFXVCVOVBMDV-JIMOISOXSA-N 317.349 -0.070 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CC(=O)N(C)C3)C[C@@H]2C1 961733804 VUWKDCQIJAWHOJ-QNWHQSFQSA-N 318.377 -0.459 30 20 DBED Cc1ccc(C(=O)NC[C@H]2COCCN2C(=O)[C@H](C)C#N)nn1 964180912 LZQBFNAKXWCQNL-PWSUYJOCSA-N 317.349 -0.098 30 20 DBED O=C(N[C@@H]1COC2(C1)CN(C(=O)C#CC1CC1)C2)c1cn[nH]c1 965638226 BAWYLGLVDIYCGK-ZDUSSCGKSA-N 314.345 -0.077 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2CN(CC(N)=O)CC[C@@H]2C)nc1 968548709 IOWVDFLPOZVGLZ-FZMZJTMJSA-N 300.362 -0.012 30 20 DBED C=CCN1CC([C@H](C)NC(=O)c2cc(=O)n3[nH]cnc3n2)C1 970736897 HSXBVTKJOVINOV-VIFPVBQESA-N 302.338 -0.346 30 20 DBED CC#CCN1CCO[C@@]2(CCN(C(=O)[C@H]3COC(=O)N3)C2)C1 972359040 WEQNGCPELSRMSR-DOMZBBRYSA-N 307.350 -0.579 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2cnn(C)n2)C1 974310052 LQNYKNYMPXYTBM-XZUYRWCXSA-N 319.365 -0.217 30 20 DBED CC#CCN1C[C@H]2[C@H](CNC(=O)[C@@H]3CCS(=O)(=O)C3)[C@H]2C1 978429441 ZJROQZSVCSHRSH-SYQHCUMBSA-N 310.419 -0.262 30 20 DBED C[C@@H](NCc1ccc(C#N)s1)[C@@H]1CN(C(=O)C(N)=O)CCO1 979361684 RCYVFNDIHKEQEQ-SKDRFNHKSA-N 322.390 -0.189 30 20 DBED C[C@@]12CN(CC#N)C[C@]1(C)CN(C(=O)[C@@H]1CC(=O)NC(=O)N1)C2 982606445 YKPULPGPIOULPS-NZVBXONLSA-N 319.365 -0.722 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@@H]3CN(C(=O)C(N)=O)C[C@@H]3C2)[nH]1 986583044 JCHDTTJRVYCVNE-ZJUUUORDSA-N 315.333 -0.708 30 20 DBED C#Cc1cncc(C(=O)N2CC(NC(=O)c3[nH]nnc3C)C2)c1 997340361 CQONFOYTCPBFHW-UHFFFAOYSA-N 310.317 -0.256 30 20 DBED Cn1c(C(=O)NC2CN(C(=O)c3cc(C#N)c[nH]3)C2)cnc1O 997437883 YUGQJCQHWNFODU-UHFFFAOYSA-N 314.305 -0.420 30 20 DBED C#CCN1CCC(C(=O)N2CCC[C@@H](N[C@H](C)C(N)=O)C2)CC1 1000991110 GHWOAZDDGJBJAU-UKRRQHHQSA-N 320.437 -0.214 30 20 DBED C[C@@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1NC(=O)Cn1ncnn1 1004886695 XCYJFIYTPWEJHU-YPMHNXCESA-N 316.365 -0.560 30 20 DBED COCCN1C[C@H](C(=O)N[C@H]2CCCN(CC#N)C2)CC1=O 1007447521 HWUDLDOAENWVRL-OLZOCXBDSA-N 308.382 -0.415 30 20 DBED C#CCCN1CCC[C@@H](NC(=O)c2nccnc2C(N)=O)C1 1009458787 JAFNAOHBPNATRM-LLVKDONJSA-N 301.350 -0.207 30 20 DBED C=CCCN1CCC[C@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 1009557877 GHSSWMLUMLDSHX-RYUDHWBXSA-N 301.412 -0.165 30 20 DBED C=CCn1cc(C(=O)N2CCN(C(=O)[C@@H](C)OC)CC2)nn1 1010563829 XOVZGFYBISTHFF-LLVKDONJSA-N 307.354 -0.217 30 20 DBED C#CCCN1CCC2(CC1)C[C@@H]2NC(=O)CN1CCOCC1=O 1016661239 KBDHWGJZDCIFLC-AWEZNQCLSA-N 319.405 -0.161 30 20 DBED CN1CC(=O)N(CC(=O)N[C@@H]2CC23CCN(CC#N)CC3)C1=O 1016964340 JILRNKFAQRYXGT-LLVKDONJSA-N 319.365 -0.625 30 20 DBED N#CCN[C@@H]1CC[C@H]2CN(C(=O)CN3CCCNC3=O)C[C@@H]21 1026303037 RHDYHTMNYQPVSU-RWMBFGLXSA-N 305.382 -0.248 30 20 DBED N#CCN[C@@H]1CC[C@H]2CN(C(=O)CCN3C(=O)CCC3=O)C[C@@H]21 1026306325 KQDXYQRLRQDTSK-RWMBFGLXSA-N 318.377 -0.124 30 20 DBED CC#CCN1[C@H]2CC[C@H]1CN(C(=O)CN1CCOCC1=O)C2 1029340332 LYLWTWUJBDISCX-KBPBESRZSA-N 305.378 -0.456 30 20 DBED Cn1nnc2c1C[C@H](C(=O)N1C[C@@H]3C[C@H]1CN3CC#N)CC2 1032589626 CSYKWLWXKRWRGW-WOPDTQHZSA-N 300.366 -0.271 30 20 DBED CN(C(=O)c1c[nH]c(C#N)c1)[C@H]1CCN([C@H]2CCNC2=O)C1 1033022086 FXFZTTMHXLPNGP-STQMWFEESA-N 301.350 -0.079 30 20 DBED CC[C@H](C(N)=O)N1CCO[C@@H](CNC(=O)c2ccc(C#N)[nH]2)C1 1035332059 UBJBMCFEJNMROF-WCQYABFASA-N 319.365 -0.419 30 20 DBED N#CCN1CCO[C@@H](CNC(=O)c2cnn3ncccc23)C1 1035398782 YTWAJKAQIFUFQD-NSHDSACASA-N 300.322 -0.317 30 20 DBED C#CCN[C@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)C[C@@H]1C 1036255492 CBRLKHYYKKBKDK-QWRGUYRKSA-N 314.349 -0.509 30 20 DBED N#CCN1CC[C@H]2CN(C(=O)Cn3ccc(O)nc3=O)CC[C@H]21 1036764076 LDZATVGFUUMDKP-NWDGAFQWSA-N 317.349 -0.605 30 20 DBED C=C(C)CN1CC[C@H]1CNC(=O)c1cn(CC(=O)N(C)C)nn1 1039052214 KEWJXTJCSTUGFK-LBPRGKRZSA-N 320.397 -0.254 30 20 DBED CC(C)(C)C#CC(=O)NC[C@]1(O)CCN(C(=O)c2nc[nH]n2)C1 1039692569 ZIEHLYUHUPXSHD-OAHLLOKOSA-N 319.365 -0.453 30 20 DBED C=CCOCC(=O)N1CC[C@@](O)(CNC(=O)[C@H]2CCCO2)C1 1040103614 AXRHNUDQCWYGJO-IUODEOHRSA-N 312.366 -0.552 30 20 DBED C=C1CCC(C(=O)NC[C@@]2(O)CCN(C(=O)CC(N)=O)C2)CC1 1040807096 NTOUHIKOFXMJML-INIZCTEOSA-N 323.393 -0.312 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)c3ccncn3)C2)cn1 1041130246 HDNFGHHQFNCLHT-ZIAGYGMSSA-N 310.317 -0.277 30 20 DBED N#CCSCC(=O)NCC1(O)CN(C(=O)c2ccoc2)C1 1041569402 WWKYMOPRNFBXLZ-UHFFFAOYSA-N 309.347 -0.161 30 20 DBED C=CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)c2ocnc2C)C1 1042368864 SSAZKIZWYUQHAU-LLVKDONJSA-N 323.349 -0.123 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)c2n[nH]c(C)c2O)C1 1042581090 ZNWTUOYZIGGFHU-UHFFFAOYSA-N 322.365 -0.061 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)c2ccc(C#N)[nH]2)C1 1042936889 SWAOCLGWGFQUIY-UHFFFAOYSA-N 314.345 -0.151 30 20 DBED C=CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)c2n[nH]cc2C)C1 1042958467 RPVPHJZCSYDBPL-LLVKDONJSA-N 322.365 -0.388 30 20 DBED C=CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)C[C@@H](C)OC)C1 1043570620 JSWNHSPLIYQAEQ-VXGBXAGGSA-N 314.382 -0.308 30 20 DBED C=CCCCC(=O)N1CC(O)(CNC(=O)[C@H]2CCC(=O)NC2)C1 1043797939 MLVDXVJGBBLJOZ-LBPRGKRZSA-N 323.393 -0.442 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCNC(=O)CC2)C1 1044060029 NQUANSLNMRUYGZ-LBPRGKRZSA-N 323.393 -0.442 30 20 DBED C=CCCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2cnco2)C1 1044119343 XNXYXUMCAVLBPV-NSHDSACASA-N 323.349 -0.041 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)[C@@]3(F)CCOC3)C2)cn1 1044425587 FKNKXCJZNJHLSH-VNHYZAJKSA-N 320.324 -0.252 30 20 DBED CCc1nc[nH]c1C(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1044700087 IDWMWJNECAEQST-UHFFFAOYSA-N 316.361 -0.311 30 20 DBED C#CCN1[C@H]2CC[C@H]1CN(C(=O)[C@H]1CN(C(C)=O)CCO1)CC2 1045884877 VLLJTTNJUTUIQW-HRCADAONSA-N 319.405 -0.068 30 20 DBED CC#CCN1CC[C@H](N2CCN(C(=O)C3(C(N)=O)CC3)CC2)C1 1046059078 YKMUFHSFAHQMDO-AWEZNQCLSA-N 318.421 -0.506 30 20 DBED N#Cc1nc(=N[C@H]2C[C@@H](CNC(=O)[C@H]3COC(=O)N3)C2)cc[nH]1 1046369731 MKUYEHQWKSIPST-KXUCPTDWSA-N 316.321 -0.815 30 20 DBED CN(C(=O)[C@@H]1CCCc2c[nH]nc21)[C@H]1CN(CC#N)C[C@@H]1O 1047381331 JHZCDCRFPFZGFE-AGIUHOORSA-N 303.366 -0.143 30 20 DBED CN(C(=O)[C@@H]1CCc2nccn2C1)[C@H]1CN(CC#N)C[C@@H]1O 1047432372 NKPHEIZBRUNHSL-AGIUHOORSA-N 303.366 -0.527 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)C2CCOCC2)C[C@@H]1O 1049393774 FBULOAOXTOAABY-WXHSDQCUSA-N 309.366 -0.397 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)CCc2ccon2)C[C@@H]1O 1049401511 HDHOXYKPLJBTLQ-DRZSPHRISA-N 320.349 -0.203 30 20 DBED C[C@@H]1[C@@H](NC(=O)[C@@H]2COC(=O)N2)CCN1c1cncc(C#N)n1 1050214733 FJYVGJMPZOFDGC-MIMYLULJSA-N 316.321 -0.460 30 20 DBED C#CCCCC(=O)N1C[C@@H](C)[C@@H](CNC(=O)CNC(=O)NC)C1 1052482652 HGLLGHUTIKTVFX-OLZOCXBDSA-N 322.409 -0.070 30 20 DBED CC#CCN1CCC[C@H](NC(=O)CN2CC(=O)NC2=O)CC1 1052798753 WWFQONQDOTXKCS-LBPRGKRZSA-N 306.366 -0.468 30 20 DBED C[C@H](C#N)C(=O)N1CCOC2(CN(CC(=O)N3CCC3)C2)C1 1053193941 WSLQHHQRIAJOHP-GFCCVEGCSA-N 306.366 -0.708 30 20 DBED CC#CCN1CC2(CC[C@H](CNC(=O)[C@@H]3CNC(=O)N3)O2)C1 1053653950 ALQADYWGAJEWBG-NEPJUHHUSA-N 306.366 -0.959 30 20 DBED N#Cc1nc(=NC[C@]23CCC[C@H]2CN(C(=O)C(N)=O)C3)cc[nH]1 1055681355 MEMVEADIXZBPKC-BONVTDFDSA-N 314.349 -0.704 30 20 DBED C[C@H](C(=O)N1CCN(c2ccnc(C#N)n2)CC1)n1cncn1 1055754581 VQVAAAOCUJUORT-LLVKDONJSA-N 312.337 -0.150 30 20 DBED N#Cc1nccnc1N1CCN(C(=O)C2(C(N)=O)CC2)CC1 1055998979 RVMQMAPKICKMDS-UHFFFAOYSA-N 300.322 -0.738 30 20 DBED CC(=O)NCC(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)[C@@H](C)C#N 1056193039 FGMCWPRBBZFVPN-CYZMBNFOSA-N 306.366 -0.126 30 20 DBED N#Cc1cnc(N2C[C@H]3C(NC(=O)[C@H]4CCNC4=O)[C@@H]3C2)cn1 1056355498 LCLPMOQSEPCMFK-HBNTYKKESA-N 312.333 -0.965 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H]1CCN(C(=O)CN2CCOCC2)C1 1056608121 ZKBLATMZFPXCAW-CQSZACIVSA-N 315.377 -0.280 30 20 DBED CN(c1ccc(C#N)nn1)[C@@H]1CCN(C(=O)Cn2cnnn2)C1 1056849309 BJPULGCCJFQRRE-LLVKDONJSA-N 313.325 -0.928 30 20 DBED CSCC(=O)N(CCO)CCNC(=O)c1c[nH]c(C#N)c1 1056899979 RHJKGSZTIKXCMA-UHFFFAOYSA-N 310.379 -0.200 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)[C@H]1CCCNC1=O 1057172686 NLYYLQRIAZYQNO-LBPRGKRZSA-N 311.382 -0.584 30 20 DBED N#Cc1ccc(N2CCCN(C(=O)Cn3nccn3)CC2)nn1 1057186189 YEIHFFGXKLTDCU-UHFFFAOYSA-N 312.337 -0.321 30 20 DBED CCOC1CC(C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N)C1 1057491862 ZJYIKWMLQADXJZ-HIFPTAJRSA-N 311.382 -0.102 30 20 DBED C=CC(C)(C)CC(=O)N(CCO)CCNC(=O)Cn1cnnn1 1057696650 VHJQEGUEWNAETC-UHFFFAOYSA-N 324.385 -0.788 30 20 DBED C=C(C)CCC(=O)N(CCO)CCNC(=O)CNC(=O)CC 1057804800 VBPOXXHDFQZXGL-UHFFFAOYSA-N 313.398 -0.194 30 20 DBED N#Cc1ccc(N2CCC[C@@H](NC(=O)[C@H]3CNC(=O)N3)C2)nn1 1058231673 NVLRKUQWNDVSBJ-GHMZBOCLSA-N 315.337 -0.885 30 20 DBED N#Cc1nccc(N2CC[C@@H](NC(=O)[C@H]3CCNC3=O)C2)n1 1058507245 BIXQSDBRKWILTC-ZJUUUORDSA-N 300.322 -0.821 30 20 DBED Cc1cc(C#N)nc(N[C@H]2CCN(C(=O)Cn3cnnn3)C2)n1 1058837215 WLEFIOWSNYLXDP-JTQLQIEISA-N 313.325 -0.644 30 20 DBED N#Cc1cncc(NC[C@H]2CCN(C(=O)C3(C(N)=O)CC3)C2)n1 1060969623 FHFASMZSGMPSQZ-SNVBAGLBSA-N 314.349 -0.126 30 20 DBED C=CCCO[C@H](C)C(=O)N1CCC2(CC1)CN(C(=O)C(N)=O)C2 1061111983 RCOSIHRFHJOJKP-GFCCVEGCSA-N 323.393 -0.096 30 20 DBED N#Cc1cncc(NC[C@@H]2CCCN2C(=O)[C@H]2CNC(=O)N2)n1 1064998494 XYZGVRNQPIIUHQ-WDEREUQCSA-N 315.337 -0.567 30 20 DBED N#Cc1nccnc1N1C[C@H]2CN(C(=O)c3nc[nH]n3)C[C@H]2C1 1066017422 LHQVSFOZXZWWFA-AOOOYVTPSA-N 310.321 -0.325 30 20 DBED C[C@H]1CN(C(=O)Cn2nccn2)C[C@@H]1Nc1nccnc1C#N 1067154186 ZXVSKIAPXJEDHI-JQWIXIFHSA-N 312.337 -0.101 30 20 DBED C[C@H](C#N)C(=O)N(C)CCCN(C)C(=O)[C@]1(C)CCNC1=O 1068060440 NVIRSPOLZRSXHZ-IAQYHMDHSA-N 308.382 -0.021 30 20 DBED C=CCOCC(=O)N1CC2(C[C@H](NC(=O)[C@@H](C)OC)CO2)C1 1068727554 POZAJTUJPCUKQA-NEPJUHHUSA-N 312.366 -0.290 30 20 DBED C[C@@H]1[C@H](Nc2cncc(C#N)n2)CCN1C(=O)CS(C)(=O)=O 1068774238 KPTNAOGLFHBHOG-MWLCHTKSSA-N 323.378 -0.206 30 20 DBED C=CCCC(=O)N1CC2(C[C@@H](NC(=O)c3cnnn3C)CO2)C1 1068840488 ZKNKVEDNVJDNAC-LLVKDONJSA-N 319.365 -0.119 30 20 DBED CC#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2nc[nH]n2)C1 1070056942 VXNCUGIHFFMNIY-MNOVXSKESA-N 300.326 -0.925 30 20 DBED C#CCO[C@@H](C)C(=O)NC1(CNC(=O)[C@@H](C)C#N)CCOCC1 1070118725 ZOFDPMBNEYEJIP-STQMWFEESA-N 321.377 -0.034 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CCCN(C(=O)CC(=O)NC)C1 1070654859 MBKSTRIMHHSOOY-VXGBXAGGSA-N 311.382 -0.179 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCC[C@@H](NC(=O)CNC(N)=O)C1 1070666556 SUOFLHOPVZFYLN-YGRLFVJLSA-N 312.370 -0.911 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC[C@@H](NC(=O)Cc2nc[nH]n2)C1 1070730560 LCXRKCUTTATMHT-NWDGAFQWSA-N 319.365 -0.507 30 20 DBED C#CCN1C[C@@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)CC[C@@H]1C 1072045217 PRACMUFEPFOJNR-RYUDHWBXSA-N 320.393 -0.081 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1C 1072165520 OYPKBUWVUOKLPT-VXGBXAGGSA-N 304.354 -0.704 30 20 DBED CC#CCN1CCCO[C@H](CNC(=O)[C@H]2COCCN2C)C1 1073578754 VKHZJZMTMQLZOT-HUUCEWRRSA-N 309.410 -0.453 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@@H]2CN(C(=O)C(N)=O)C[C@@H]2CC1 1074333056 QKGCRIXJTPCKET-UPJWGTAASA-N 321.377 -0.793 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCN(C(=O)COCC)[C@@H](C)C1 1074942532 YFESBFPOWQQTDG-QWHCGFSZSA-N 323.393 -0.342 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)C1(COC)CC1 1076220017 MNJNTZKBXHTJCG-LBPRGKRZSA-N 323.393 -0.437 30 20 DBED C#CCOCCC(=O)NCC[C@H](C)NC(=O)[C@H]1COCCO1 1076504268 TXKDUVVRBFCQDI-QWHCGFSZSA-N 312.366 -0.547 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN(Cc3cnnn3C)C[C@H]2O)C1 1077641959 PWJATHDQOJPVPT-CHWSQXEVSA-N 305.382 -0.167 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCN(C(C)=O)C2)C1 1078090363 OTKLLXHRRKPZQT-RRFJBIMHSA-N 309.410 -0.018 30 20 DBED C=CCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)[C@@H]2CNC(=O)N2)C1 1079981588 VJDCAYHRCBZZIZ-JQWIXIFHSA-N 324.381 -0.682 30 20 DBED CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)CCS(C)(=O)=O)C1 1080421859 SDTLOQPYGASTSS-JTQLQIEISA-N 315.395 -0.360 30 20 DBED C#CCOCCC(=O)N1C[C@H](O)[C@H](CNC(=O)COCC=C)C1 1081347115 QUNPKGPTLKXHNX-KGLIPLIRSA-N 324.377 -0.836 30 20 DBED CC#CCCCC(=O)N1C[C@H](CNC(=O)CC(=O)NC)[C@@H](O)C1 1081434634 YLTARVYUZUHDRO-STQMWFEESA-N 323.393 -0.748 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)c2cnccn2)C[C@@H]1O 1081441915 NTBULTYQWIUIQJ-JSGCOSHPSA-N 316.361 -0.171 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)c2cncnc2)C[C@@H]1O 1081442526 VZIJDVDVQXIYBO-KBPBESRZSA-N 316.361 -0.171 30 20 DBED Cc1c[nH]nc1C(=O)N1C[C@H](CNC(=O)C#CC(C)C)[C@@H](O)C1 1081462550 BPOJAFWWRUNHDK-STQMWFEESA-N 318.377 -0.073 30 20 DBED O=C(Cc1ncc[nH]1)NC[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1081692101 BSJVOMXQNFNNOR-CHWSQXEVSA-N 316.361 -0.699 30 20 DBED CC#CCN1C[C@@H](NC(=O)c2ccc(C(N)=O)cn2)[C@H](OC)C1 1082394112 VQZIIZFYNOEUOH-ZIAGYGMSSA-N 316.361 -0.367 30 20 DBED C[C@@H]1CN(C(=O)c2cn([C@H]3CCOC3)nn2)C[C@H]1NCC#N 1082847324 ATSKKMXLLAWUDB-GRYCIOLGSA-N 304.354 -0.187 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CCNC(=O)CC1 1083153521 FGLILDNVZTXNKZ-SOUVJXGZSA-N 319.405 -0.162 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCCCN2C(=O)CC)C1 1083484281 BZZPZGBWOHAIGJ-KFWWJZLASA-N 321.421 -0.038 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)C2CC3(C2)CS(=O)(=O)C3)C1 1083567859 UADQIYLPQASHRR-NEPJUHHUSA-N 314.407 -0.842 30 20 DBED C#CCN[C@@H]1CCCC[C@H]1NC(=O)CN1C(=O)NC(=O)C1(C)C 1085383512 KMWXGZUIMYQVKC-VXGBXAGGSA-N 320.393 -0.033 30 20 DBED C[C@@H]1CC[C@H](NC(=O)CC(N)=O)CN1c1cncc(C#N)n1 1089128599 XPISREBGVCQTOM-ZJUUUORDSA-N 302.338 -0.303 30 20 DBED COC(=O)NCC(=O)N[C@H](C)C[C@@H](C)N=c1cc[nH]c(C#N)n1 1089244999 UKAGFFPPBIFGQN-NXEZZACHSA-N 320.353 -0.179 30 20 DBED CNC(=O)CC(=O)N1CC[C@H](N=c2cc[nH]c(C#N)n2)[C@@H]1C 1090211798 VUWCGPGDZYRFFE-UWVGGRQHSA-N 302.338 -0.692 30 20 DBED C=C(C)CCN1CC[C@@H](NC(=O)c2nnc(O)nc2O)[C@H](O)C1 1090398286 XMUJYHXHBNTOHQ-NXEZZACHSA-N 323.353 -0.586 30 20 DBED C[C@@H]1CN(c2ncccc2C#N)C[C@H]1NC(=O)CS(C)(=O)=O 1090663298 WOSNLEKOFFWZGK-ZYHUDNBSSA-N 322.390 -0.061 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2cnn3cc[nH]c23)[C@H](O)C1 1090764083 QGSVXLMASOGSMF-CHWSQXEVSA-N 301.350 -0.149 30 20 DBED CC[C@H](C)OCC(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1091093258 UTQROCYLRJRXGA-UHTWSYAYSA-N 319.365 -0.171 30 20 DBED COCC(C)(C)C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1091162365 SVUDKONYIMQMPK-NEPJUHHUSA-N 319.365 -0.313 30 20 DBED C[C@@H](CC(N)=O)C(=O)N1CCN(c2ccc(C#N)nn2)CC1 1093194270 FHPYMZLTUFGUHI-JTQLQIEISA-N 302.338 -0.492 30 20 DBED N#Cc1cnccc1N1C[C@H]2[C@H](NC(=O)CNC(N)=O)[C@H]2C1 1093210919 QKMPEVKAXIJDSF-IWIIMEHWSA-N 300.322 -0.828 30 20 DBED C#CCO[C@H](C)C(=O)NC1[C@@H]2CN(c3cnc(C#N)cn3)C[C@@H]12 1093311380 QLCBFLRTKLKHFS-RAIGVLPGSA-N 311.345 -0.063 30 20 DBED N#CCN1CC(OC2CCN(C(=O)[C@H]3COC(=O)N3)CC2)C1 1093532894 MWFQQOIZHZJTET-GFCCVEGCSA-N 308.338 -0.690 30 20 DBED COC(=O)NCC(=O)NCCCNc1nc(C)cc(C#N)n1 1094333782 FSYLYLSRFBJEHK-UHFFFAOYSA-N 306.326 -0.069 30 20 DBED Cc1cc(C#N)nc(NCCCNC(=O)CN2CCOCC2)n1 1094371817 UDBJEWXVOREOGO-UHFFFAOYSA-N 318.381 -0.093 30 20 DBED N#Cc1cncc(NCCCNC(=O)CN2C(=O)CCC2=O)n1 1094434674 JAUXGBSKKWUBNO-UHFFFAOYSA-N 316.321 -0.585 30 20 DBED C[C@H]1C[C@H](C(=O)NCCCN=c2cc[nH]c(C#N)n2)CC(=O)N1 1094651994 OWAWSGUIILBUPN-QWRGUYRKSA-N 316.365 -0.397 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)c3c[nH]c(C#N)c3)CC2=O)C1 1094722827 XSYONEQAMYSWHM-CYBMUJFWSA-N 311.345 -0.466 30 20 DBED CCc1cc(C(=O)N[C@@H]2CC(=O)N(C3CN(CC#N)C3)C2)no1 1094809943 RJHCGLAKHCULOX-SNVBAGLBSA-N 317.349 -0.225 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCN(c2cc(C)ncn2)C1 1096359646 FLWPHTWHWPWYBZ-GFCCVEGCSA-N 301.350 -0.381 30 20 DBED N#Cc1cncc(N[C@H](CNC(=O)Cn2nccn2)C2CC2)n1 1096736478 NGRJZJGAWKCZMY-GFCCVEGCSA-N 312.337 -0.053 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H]1CCN(C(=O)CNC(N)=O)C1 1098500568 CZJKEZRJJGPXNE-JTQLQIEISA-N 302.338 -0.696 30 20 DBED C[C@H](CCNC(=O)[C@H]1COCCN1C)Nc1cnc(C#N)cn1 1099021174 NCFLXVBKWFKJCO-DGCLKSJQSA-N 318.381 -0.014 30 20 DBED C[C@@H](CCNC(=O)[C@H]1CN(C)C(=O)N1)Nc1ccc(C#N)nn1 1099617439 VGQXCIJEZFOVBE-GXSJLCMTSA-N 317.353 -0.321 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)C(C)(C)C(C)C)[C@H](O)C1 1099845269 UYPWIOYAYUOVFP-ZIAGYGMSSA-N 323.437 -0.031 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)CN(C)S(C)(=O)=O)[C@H](O)C1 1099861395 RNJPLPZNPTZWNL-VXGBXAGGSA-N 319.427 -0.995 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)C(=O)NCC(F)F)[C@@H](O)C1 1099902321 XMQJUSPAMVAQAW-ZJUUUORDSA-N 305.325 -0.505 30 20 DBED CCNC(=O)CCC(=O)NCCN(C)c1ccnc(C#N)n1 1099963347 JEYMEEFKVDQPOO-UHFFFAOYSA-N 304.354 -0.183 30 20 DBED COc1nn(C)cc1C(=O)NCCN(C)c1cncc(C#N)n1 1100278721 LLEQBUGNRPFPKI-UHFFFAOYSA-N 315.337 -0.043 30 20 DBED CCN(CCNC(=O)c1ncn(C)n1)c1cncc(C#N)n1 1100511998 ANUICUBINIUECS-UHFFFAOYSA-N 300.326 -0.267 30 20 DBED CCN(CCNC(=O)C[C@H](C)NC(N)=O)c1nccnc1C#N 1100621929 TWBAEFDOJYZTNP-JTQLQIEISA-N 319.369 -0.262 30 20 DBED CCN(CCNC(=O)[C@@H]1CN(C)C(=O)N1)c1ccc(C#N)nn1 1100684149 IOOXHNGLCVQAFR-NSHDSACASA-N 317.353 -0.686 30 20 DBED CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CCCN1c1cnc(C#N)cn1 1100775548 ZCRBGQCXCXKZBJ-GWCFXTLKSA-N 316.365 -0.042 30 20 DBED CN(CCNc1cncc(C#N)n1)C(=O)[C@@H]1CCCNC1=O 1101814894 FLNJVCJGAHRDES-LLVKDONJSA-N 302.338 -0.255 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)C[C@@H]1CCC(=O)NC1 1101823178 QSOYJGXMBOTEFS-NSHDSACASA-N 316.365 -0.443 30 20 DBED CNC(=O)NC(=O)CN1C[C@@H](C)[C@H](CNC(=O)C#CC2CC2)C1 1101951265 IOEWJGDOUMDNMF-DGCLKSJQSA-N 320.393 -0.461 30 20 DBED CN(C)C(=O)CC(=O)N(C)[C@H]1CCN(c2ccc(C#N)nn2)C1 1102765129 PSQJOXIINITSJF-LBPRGKRZSA-N 316.365 -0.136 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H](C)CN=c1cc[nH]c(C#N)n1 1104089396 HGHUOAHUAVEIAP-NWDGAFQWSA-N 301.350 -0.027 30 20 DBED C#CCOCCC(=O)NC[C@H](C)CNc1ccc2nnnn2n1 1104090055 VCUHSFYIBZYBCY-LLVKDONJSA-N 317.353 -0.277 30 20 DBED CO[C@H](C)C(=O)NC[C@H]1CN(c2nccnc2C#N)CCO1 1104292815 INZLZOVAOMEONI-MNOVXSKESA-N 305.338 -0.295 30 20 DBED CO[C@@H](C)C(=O)NC[C@@H]1CN(c2cnc(C#N)cn2)CCO1 1104292988 LFEKALRZGOIWIV-CMPLNLGQSA-N 305.338 -0.295 30 20 DBED Cc1cn(C)nc1C(=O)N1CC(n2cc(CNCC#N)nn2)C1 1105235415 DXZCVMSTFIQJIK-UHFFFAOYSA-N 314.353 -0.370 30 20 DBED CC(C)[C@@H](CNC(=O)[C@H]1CNC(=O)N1)Nc1cnc(C#N)cn1 1105278094 UUDINBAKJINOEA-GHMZBOCLSA-N 317.353 -0.418 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@H](O)CNc1nccnc1C#N 1105806221 SIGWMBWNVVWAGR-IINYFYTJSA-N 305.338 -0.436 30 20 DBED Cc1cc(C(=O)NC[C@@H](O)CNc2cnc(C#N)cn2)cnn1 1105812485 DKNNZJMNBVOXAC-LBPRGKRZSA-N 313.321 -0.351 30 20 DBED N#Cc1cnc(NC[C@@H](O)CNC(=O)Cn2ccnc2)cn1 1105883018 QAYRPSOKADELNT-LLVKDONJSA-N 301.310 -0.866 30 20 DBED CN1CCCC[C@@H]1C(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1 1106165164 GARMCLIFWYCHEG-NWDGAFQWSA-N 318.381 -0.857 30 20 DBED C[C@H](CCNc1ccc(C#N)nn1)NC(=O)[C@H]1CCC(=O)N1 1106271167 ICSIXENLAPCVDK-MWLCHTKSSA-N 302.338 -0.066 30 20 DBED C[C@@H](CCNc1cncc(C#N)n1)NC(=O)[C@H]1CCC(=O)N1 1106271950 RIMBVWLBAPTFDR-GXSJLCMTSA-N 302.338 -0.066 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)[C@@H](C)n1cncn1 1107710949 MIUMZNFIISVETN-NXEZZACHSA-N 300.326 -0.461 30 20 DBED C[C@@H](C(=O)N[C@H](C)CN=c1cc[nH]c(C#N)n1)n1cncn1 1107710950 MIUMZNFIISVETN-ZJUUUORDSA-N 300.326 -0.461 30 20 DBED C=CCNC(=O)CN1CCO[C@@](C)(CNC(=O)CSC)C1 1107720915 RRHHSDVJHRXYLG-AWEZNQCLSA-N 315.439 -0.141 30 20 DBED C#CCNC(=O)CN1CCO[C@](C)(CNC(=O)C2CC=CC2)C1 1107833607 LDLZKVWZVGJEIG-QGZVFWFLSA-N 319.405 -0.091 30 20 DBED C[C@@H](CNc1cnc(C#N)cn1)NC(=O)[C@@H]1CCNC(=O)C1 1108335531 NSXNXEYOIYRWBL-VHSXEESVSA-N 302.338 -0.209 30 20 DBED CO[C@H](CC(C)C)C(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1 1108572076 LSPHYEWKMWQXOJ-TZMCWYRMSA-N 322.409 -0.028 30 20 DBED C=CCO[C@H](C)C(=O)N[C@H]1CC(=O)N(C2CN(CCF)C2)C1 1108594777 ZWZUOJBEWXXGNI-NEPJUHHUSA-N 313.373 -0.052 30 20 DBED CN1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1109068163 QAUNAEPKRDECOY-RFGFWPKPSA-N 319.409 -0.558 30 20 DBED C[C@H](CN(C)c1ncccc1C#N)NC(=O)[C@@H]1CN(C)C(=O)N1 1109194367 QRYJDPPKFQNIPR-PWSUYJOCSA-N 316.365 -0.082 30 20 DBED CC(=O)NCC(=O)N[C@@H]1[C@H]2C[C@H]1N(c1ccc(C#N)nn1)C2 1109671212 WXCUZIFYTSXXPN-DRCTWCGVSA-N 300.322 -0.822 30 20 DBED N#Cc1cnc(NC[C@H](NC(=O)[C@@H]2CCC(=O)N2)C2CC2)cn1 1109880229 FJDMROKPJRLWOT-RYUDHWBXSA-N 314.349 -0.066 30 20 DBED N#Cc1c[nH]ccc1=NC1(CNC(=O)CN2CCOCC2)CC1 1110096871 JORRHYYSCKHLTJ-UHFFFAOYSA-N 315.377 -0.232 30 20 DBED C[C@]1(C(=O)NCC2(Nc3ccnc(C#N)n3)CC2)CCNC1=O 1110344452 HWDCNJCGPJCYJX-AWEZNQCLSA-N 314.349 -0.065 30 20 DBED CO[C@@H](C)CC(=O)NC[C@@]1(O)CCN(c2ccnc(C#N)n2)C1 1111045611 OSVKYOZLUDYQNG-NHYWBVRUSA-N 319.365 -0.169 30 20 DBED CCCN(C)CC(=O)N(CCO)CCNc1ccc(C#N)nn1 1111492476 AIVUTKJTLJKVRG-UHFFFAOYSA-N 320.397 -0.077 30 20 DBED CN(C)CCC(=O)N1CCO[C@@H](CNc2ccc(C#N)nn2)C1 1111962101 OKPKKIWEDYEJPQ-ZDUSSCGKSA-N 318.381 -0.061 30 20 DBED CCc1n[nH]cc1C(=O)N1CCN(CC(=O)NCC#N)CC1 1113057100 CHVIATROEVGQRV-UHFFFAOYSA-N 304.354 -0.630 30 20 DBED Cc1cc(C#N)nc(N(C)[C@@H](C)CNC(=O)Cn2cnnn2)n1 1113487802 UACASYBQVZBQCC-JTQLQIEISA-N 315.341 -0.716 30 20 DBED C#Cc1ccc(C(=O)N2CCN(CC(=O)NCC#N)CC2)nc1 1113561936 VZQFYQQNZYPNBE-UHFFFAOYSA-N 311.345 -0.540 30 20 DBED C#CCCCC(=O)N[C@H]1[C@@H]2CN([C@@H](C)C(=O)NCC#C)C[C@@H]21 1114201376 ODGGBKCBZLLVOK-TTZDDIAXSA-N 301.390 -0.026 30 20 DBED N#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3ccsn3)[C@H]2C1 1114447646 SIMHFNMIIZQYMC-GDGBQDQQSA-N 305.363 -0.557 30 20 DBED C=CCOCCN1C[C@H]2C(NC(=O)c3nnc(O)nc3O)[C@@H]2C1 1114523664 GLOOMCDWXDSCFJ-RKDXNWHRSA-N 321.337 -0.855 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1[C@@H]2CN(c3nccn4nnnc34)C[C@H]12 1114525932 SOPHHJQPPJWAMK-XWLWVQCSSA-N 312.337 -0.523 30 20 DBED N#Cc1nc(=NCCCOCCNC(=O)[C@H]2CCCO2)cc[nH]1 1115379553 OCQVUATVKIFKIN-GFCCVEGCSA-N 319.365 -0.116 30 20 DBED C[C@H](O)C[C@H](C)NC(=O)NCCN/C(O)=C1\N=CC=CC1=O 1116543588 YMALOLFKUIQTQB-SCADTSMHSA-N 310.354 -0.029 30 20 DBED COC[C@H]1CCN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1 1119005002 IYWVJGVJEDFQHO-GXTWGEPZSA-N 320.393 -0.320 30 20 DBED C[C@@H](CN(C)C(=O)[C@@]1(C)CNC(=O)C1)N=c1cc[nH]c(C#N)n1 1120361032 SSVKVLFMFCVSRA-ZUZCIYMTSA-N 316.365 -0.445 30 20 DBED N#Cc1cncc(N[C@@H](CO)CNC(=O)CCn2cccn2)n1 1121078923 JPGLDTJDDWTSBR-GFCCVEGCSA-N 315.337 -0.476 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)COCC2CC2)nn1 1121092867 UAWKJUQDEXEUSX-LBPRGKRZSA-N 305.338 -0.336 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H](CO)CNC(=O)c1ccc(O)nn1 1121178540 UYCUZAVZXIWYHP-SNVBAGLBSA-N 314.305 -0.926 30 20 DBED CC(C)(C)C#CC(=O)NC[C@@H](CO)Nc1ccc2nnnn2n1 1121439102 FJZXVZZJQWZJNH-JTQLQIEISA-N 317.353 -0.542 30 20 DBED Cc1nsc(N[C@@H](CO)CNC(=O)[C@H]2CCNC2=O)c1C#N 1122353259 AENLYUDLLJQQRF-BDAKNGLRSA-N 323.378 -0.652 30 20 DBED N#Cc1nccnc1N[C@@H](CO)CNC(=O)[C@@]1(F)CCOC1 1122412202 WTPKSWPYXVOORY-NOZJJQNGSA-N 309.301 -0.634 30 20 DBED C[C@@]1(C(=O)NC[C@@H](CO)Nc2ncccc2C#N)CCNC1=O 1122543682 OXCRFTSPRSCJNS-XHDPSFHLSA-N 317.349 -0.632 30 20 DBED Cc1cc(N(C)C[C@@H](O)CN(C)C(=O)[C@@H](C)C#N)nc(CO)n1 1124989430 WHGRYOYQDURDFH-CMPLNLGQSA-N 321.381 -0.308 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)C[C@@H]1COC(=O)C1 1125675933 JIZCXHSWZAXEPT-LBPRGKRZSA-N 324.381 -0.592 30 20 DBED C#CCNC(=O)CC(=O)NCCNCCO[C@@H]1CC1(F)F 1125998066 JKCCJTNTAQSILK-SNVBAGLBSA-N 303.309 -0.744 30 20 DBED C#CCO[C@@H](C)C(=O)NCCNCc1nnc2n1CCOC2 1127039447 KUIMUQWYYOMQDN-NSHDSACASA-N 307.354 -0.948 30 20 DBED CC#CCN1CCn2ncc(CNC(=O)CNC(C)=O)c2C1 1128160455 SLXKNGVWWLPDGA-UHFFFAOYSA-N 303.366 -0.526 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)c2cnnc(O)c2)C1=O 1129990629 GJNYVPHRYBXXPC-LLVKDONJSA-N 305.338 -0.712 30 20 DBED C=CCCOCC(=O)N1C[C@H](n2ccnn2)[C@H](NCC#N)C1 1130148672 YJFIIBAMCJIJCL-OLZOCXBDSA-N 304.354 -0.264 30 20 DBED C[C@@H]1CN(C(=O)CC(=O)N(C)C)C[C@]2(CCN(CC#N)C2)O1 1131692368 GVOPVTDSZCRUCA-IUODEOHRSA-N 308.382 -0.320 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)Cn1cc(C)cn1 1133834640 BPZUQVMQZKWHTK-KBPBESRZSA-N 319.409 -0.186 30 20 DBED C#CCCN[C@@H](C)C[C@@H](C)NC(=O)CN1CCN(C)C(=O)C1 1134787268 JQGGTXQDODDLFD-UONOGXRCSA-N 308.426 -0.343 30 20 DBED C=CCCn1cc(C(=O)NCCN[C@H]2CCN(CC)C2=O)nn1 1135075775 YTQKXHFOIRVBRD-LBPRGKRZSA-N 320.397 -0.206 30 20 DBED C[C@@H](C[C@@H](C)NCC(=O)NCC#N)NC(=O)C1CCN(C)CC1 1135391214 RGWULUQEIPYHBY-OLZOCXBDSA-N 323.441 -0.159 30 20 DBED C[C@@H](C[C@@H](C)NCC#N)NC(=O)CCCN1C(=O)CNC1=O 1146216178 ISVDBZJYEVDPOJ-MNOVXSKESA-N 309.370 -0.285 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CCc2nc[nH]c2C1 1146993995 HSUALEITRDMJPD-VXGBXAGGSA-N 317.393 -0.642 30 20 DBED C#CCN1CCC(C(=O)NCCN[C@H](C)C(=O)N(C)C)CC1 1152330261 KISDJRASKFXNEK-CYBMUJFWSA-N 308.426 -0.486 30 20 DBED C=CCOCC(=O)NCCCNC[C@H]1CCS(=O)(=O)C1 1155707108 BLSPUAHKNCCUHK-GFCCVEGCSA-N 304.412 -0.280 30 20 DBED CCN(CCC#N)C(=O)CNCCCNC(=O)[C@@H]1CCCN1C 1155791266 UXNYFABCTFAMOS-AWEZNQCLSA-N 323.441 -0.061 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCCNCCn1cncn1 1160209625 STGRSURLAGGOQC-AWEZNQCLSA-N 304.398 -0.528 30 20 DBED C=CCNC(=O)CNCCCNC(=O)Cc1ncc(CC)[nH]1 1160242918 OFEBTUJNXYGOGA-UHFFFAOYSA-N 307.398 -0.087 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)Cc1ccc(F)cn1 1161197411 XSZBIIUDEJEKDP-LBPRGKRZSA-N 320.368 -0.003 30 20 DBED C#CCN1CCC(CNC(=O)[C@H]2CCN(C)C2=O)(COC)CC1 1162419693 SIFJIGNHFMWKFQ-CQSZACIVSA-N 321.421 -0.057 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)[C@H](C)CC(N)=O)C1=O 1163919445 WRCNHJFCKRBUTQ-NEPJUHHUSA-N 310.398 -0.619 30 20 DBED C#CCNC(=O)CNCCCNC(=O)CCCn1ccnc1C 1168363642 NVZSNVUYVNFEPG-UHFFFAOYSA-N 319.409 -0.183 30 20 DBED C[C@@H](CCCCNCC(=O)NCC#N)NC(=O)[C@H]1CCC(=O)N1 1169777323 HZMCMWIMFZXMRT-NWDGAFQWSA-N 323.397 -0.831 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)C1(C(=O)NC)CCC1 1171758370 ZRVZIGURIZSBPG-LBPRGKRZSA-N 324.425 -0.311 30 20 DBED Cc1cc(C(=O)N2CC[C@H](NCC(=O)NCC#N)[C@@H]2C)n(C)n1 1178216471 KASNACZDOZUIRG-RYUDHWBXSA-N 318.381 -0.439 30 20 DBED C#CCCN[C@H]1CCN(C(=O)CCCS(N)(=O)=O)[C@H]1C 1179455276 VQHCEAQRPUSDJX-RYUDHWBXSA-N 301.412 -0.343 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)CCCC(N)=O)[C@H]1C 1180296362 YZYJLZROANPYAY-AGIUHOORSA-N 324.425 -0.088 30 20 DBED CC(C)CO[C@H](C)C(=O)N1CC[C@@H](NCC(=O)NCC#N)C1 1181359257 PRCUBODCFRINLY-CHWSQXEVSA-N 310.398 -0.122 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](N[C@H]2CCN(CC)C2=O)C1 1182513571 FTBABECQMUQHPO-KGLIPLIRSA-N 307.394 -0.162 30 20 DBED Cc1c(CC(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)cnn1C 1183126985 YAZGIJNKNBRUSR-CYBMUJFWSA-N 318.381 -0.899 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)c2cn(C)ccc2=O)C1 1184139047 XJJTZEMTLQJMNY-CYBMUJFWSA-N 303.362 -0.161 30 20 DBED C[C@H](C(=O)N1CC[C@@H](NCC(=O)NCC#N)C1)c1cncnc1 1185127713 IZLLONILATWFRM-WCQYABFASA-N 316.365 -0.590 30 20 DBED C#CCN[C@H]1CCCO[C@@H]1C1CCN(C(=O)CNC(N)=O)CC1 1186114799 PHOHPBBUYGHFAD-DZGCQCFKSA-N 322.409 -0.336 30 20 DBED C#CCNC[C@@H]1CN(C(=O)c2cnnn2C)CC12CCOCC2 1186368959 ZDLDONDTLFSDPH-CYBMUJFWSA-N 317.393 -0.093 30 20 DBED N#CCNC(=O)CN[C@@H]1CCN(C(=O)COc2ccccc2)C1 1187358716 QYUNLHIHXNNONU-CYBMUJFWSA-N 316.361 -0.104 30 20 DBED CCS(=O)(=O)NCCN(C)[C@@H]1CCN(C(=O)[C@@H](C)C#N)C1 1189401091 RYWNQBJBHZXPBR-NWDGAFQWSA-N 316.427 -0.382 30 20 DBED CN1CC[C@@H](C(=O)N2CC[C@H]3CN(CC(=O)NCC#N)C[C@H]32)C1 1190157409 HQYOOBRZOZNTTM-BFHYXJOUSA-N 319.409 -0.889 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)[C@H](C)NC(=O)CC)C1 1190307354 IKEKTXNXAMBWBZ-STQMWFEESA-N 322.409 -0.817 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)CC(C)(C)C2CC2)C1 1192692994 MOAYUUCNROHDBW-ZIAGYGMSSA-N 321.421 -0.277 30 20 DBED C#CCN(C)[C@H]1CCN(C(=O)CN(C)S(=O)(=O)CC)C1 1193204220 CPCMKYOPBXOETN-LBPRGKRZSA-N 301.412 -0.566 30 20 DBED C=C(C)CCC(=O)N[C@@H]1CN([C@H]2CCC(=O)NC2=O)C[C@H]1O 1193400690 WZSLUPXDNGSTMC-GRYCIOLGSA-N 309.366 -0.691 30 20 DBED Cc1nc(O)[nH]c1C(=O)N1CCCN(CC(=O)NCC#N)CC1 1196223558 XQEAGNKDSLKDSX-UHFFFAOYSA-N 320.353 -0.789 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1CN(CCOC)C[C@H]1O 1196692213 ZEXSMXLLOWULPF-MGPQQGTHSA-N 313.398 -0.735 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)C(=O)NCc2ccc(F)cc2)C1 1196773109 KEFQYGOTFXFSRJ-ZIAGYGMSSA-N 321.352 -0.211 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)c2ccc(O)nn2)CC1 1199177629 JJBIRXCPSDDWQY-UHFFFAOYSA-N 317.349 -0.874 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN([C@H](C)c2n[nH]c(C)n2)C[C@H]1O 1199307321 IFHBMAIAFZJNMA-RAIGVLPGSA-N 323.397 -0.072 30 20 DBED CC(C)[C@H](NS(C)(=O)=O)C(=O)N1CCC(NCC#N)CC1 1202833430 LWUPZLADFWPAGH-LBPRGKRZSA-N 316.427 -0.336 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)CCN(C)CC)CC1 1203203143 HEAXHMGKIQXCKA-UHFFFAOYSA-N 308.426 -0.342 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@H]2CC[C@H]1N(C(=O)COCC)C2 1203934649 LYZNJMRRMSNTEG-HZSPNIEDSA-N 307.394 -0.259 30 20 DBED Cc1cc(C(=O)N2CCC(CNCC(=O)NCC#N)CC2)n[nH]1 1204637594 ZDJCIQTWPNYPGH-UHFFFAOYSA-N 318.381 -0.200 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)C[C@@H](C)OC)CC1 1204734327 OSMBOQRXEGTOGA-CYBMUJFWSA-N 309.410 -0.011 30 20 DBED C=CCNCC1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)CC1 1206602051 CQZIXDDPTKKJBL-UHFFFAOYSA-N 320.393 -0.059 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)CCn2ccnn2)[C@H](C)C1 1206905174 HALDPCSGRUJEFS-CHWSQXEVSA-N 320.397 -0.593 30 20 DBED C[C@H](C(=O)N1CCC[C@H](NCC(=O)NCC#N)C1)n1cncn1 1207828700 GIJUCTIJNAJGIL-NEPJUHHUSA-N 319.369 -0.941 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H](NCC(=O)N(C)C)C1 1208352322 BKTZCEGNFQDJIK-CABCVRRESA-N 320.437 -0.247 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)Cc2cnoc2)C[C@H]1C 1215383452 WALVJWPSBHDZJI-DGCLKSJQSA-N 304.350 -0.597 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)CCCC(N)=O)C[C@H]1C 1217016117 KJULXUSRCLDXAD-FRRDWIJNSA-N 324.425 -0.231 30 20 DBED C[C@]1(C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@@H]2O)CC=CCC1 1219686758 UVSBXMPFBFCOSB-WWGRRREGSA-N 320.393 -0.466 30 20 DBED C=CCNC(=O)CN1CC[C@@H]2CN(C(=O)C(C)(C)C(N)=O)[C@@H]2C1 1221629490 ASNUSHMSAPIKLI-VXGBXAGGSA-N 322.409 -0.667 30 20 DBED C=CCOCCN1CC[C@@H]2CN(C(=O)[C@H]3CCNC3=O)[C@@H]2C1 1221733038 CBMZHDSQADAHGH-HZSPNIEDSA-N 307.394 -0.142 30 20 DBED C#CCN[C@@H]1CCCC[C@H]1NC(=O)CN(C)S(C)(=O)=O 1226579689 KWPLZQREDOGTTN-VXGBXAGGSA-N 301.412 -0.472 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)[C@@H](C)NC(=O)CC)CC1 1227503908 DKPAOFOOBWBOKK-GFCCVEGCSA-N 322.409 -0.769 30 20 DBED C#CCN1CCS(=O)(=O)[C@@H](CCNC(=O)c2cc[nH]c2)C1 1230463225 YCDGVNLOJLPWOP-ZDUSSCGKSA-N 309.391 -0.133 30 20 DBED C#CCN1CCS(=O)(=O)[C@@H](CCNC(=O)c2ccn(C)n2)C1 1230521726 YJRLFWYEANWAQJ-LBPRGKRZSA-N 324.406 -0.728 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@H]1CN(C)C(=O)c1cocn1 1231199500 ZFVLSSLKUDAYGN-NEPJUHHUSA-N 304.350 -0.041 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)c1ccc(C#N)[nH]1 1233691814 CSAYNFCWMRNDFK-CYBMUJFWSA-N 313.361 -0.218 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)c1ncccc1O 1233838814 WTWCFOZIVHGKBA-LBPRGKRZSA-N 316.361 -0.317 30 20 DBED C#CCNC(=O)CN(C)CCCNC(=O)c1cc(C)n(C)n1 1234579470 RKRDJNAZHYEPFM-UHFFFAOYSA-N 305.382 -0.470 30 20 DBED C=C(C)COCCNC(=O)C(=O)NCCO[C@H]1CCOC1 1262283333 LOLCMIVKCDUREE-LBPRGKRZSA-N 300.355 -0.383 30 20 DBED C#CCN(C(=O)C(=O)N1CCC[C@H](S(C)(=O)=O)C1)C(C)C 1262534937 UIFPGVYJCFUSQC-LBPRGKRZSA-N 314.407 -0.108 30 20 DBED N#CCN1CCC(NC(=O)NCC(=O)NCC(F)F)CC1 1321103567 OBYCWXFDHPHXMY-UHFFFAOYSA-N 303.313 -0.345 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCN(C)C1=O 1324167430 QFJNSVHWBSENDT-UTUOFQBUSA-N 309.366 -0.569 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CCC[C@@H](N2CCCC2=O)C1 1324239685 XKGCRPKHPYEMAX-CHWSQXEVSA-N 323.393 -0.083 30 20 DBED C=C[C@H](COC)NC(=O)[C@H](C)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 1325638014 CQPKVZUAVUJOQD-PQWUQFFPSA-N 322.361 -0.146 30 20 DBED N#CCCCC(=O)N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 1325996435 QTCNCJKOSUQPPR-RYUDHWBXSA-N 315.395 -0.706 30 20 DBED C#CCCCCNC(=O)C(=O)NC[C@@H](C)CN1CCOCC1 1328011870 HOEDVTNOFKKMRN-CQSZACIVSA-N 309.410 -0.009 30 20 DBED CN(C)C[C@@](C)(C#N)NC(=O)Cn1nc2n(c1=O)CCCCC2 1328628736 QWYMSEIHCBAUQP-OAHLLOKOSA-N 320.397 -0.269 30 20 DBED C[C@H](O)C[C@@H]1CCCN1C(=O)C(=O)NC1CCN(CC#N)CC1 1328685027 LVUSPJUFNZJHDO-JSGCOSHPSA-N 322.409 -0.148 30 20 DBED COCC#CC(=O)N1CCCC[C@H]1CCNS(C)(=O)=O 1330739690 HRYQYNDDDFQXJM-LBPRGKRZSA-N 302.396 -0.043 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)/C=C/c2ccco2)CC1 1332385291 SRPOKODWNBNCRI-AATRIKPKSA-N 323.374 -0.095 30 20 DBED C#CCN(C(=O)C(=O)N[C@@H]1CCCS(=O)(=O)C1)C(C)C 1333157478 HSEYGCSIAOSDCM-LLVKDONJSA-N 300.380 -0.450 30 20 DBED N#CCC1CCN(C(=O)C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 1336319213 MDDDVRFWMOPALD-LLVKDONJSA-N 313.379 -0.558 30 20 DBED C#CC1CCN(c2nnnn2Cc2nnnn2CC2CC2)CC1 1337304053 BOFHOZAWMLUPJK-UHFFFAOYSA-N 313.369 -0.033 30 20 DBED C=CCn1c(N2CC[C@@H]3OCC(=O)N[C@H]3C2)nnc1C1(O)CC1 1340466678 WAMLZZFLJYYQFR-QWRGUYRKSA-N 319.365 -0.461 30 20 DBED COC[C@H](C)CC(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1 1341899044 PNHXAAUTODABOH-GHMZBOCLSA-N 316.379 -0.375 30 20 DBED Cc1cccc(CCNC(=O)C(=O)N2CCO[C@@H](C#N)C2)n1 1342017915 CBMWXTBFGVUHPB-ZDUSSCGKSA-N 302.334 -0.200 30 20 DBED N#CC[C@]1(O)CCN(C(=O)c2ccnc(S(N)(=O)=O)c2)C1 1363464288 VKJWKRJPOXTKLA-LBPRGKRZSA-N 310.335 -0.780 30 20 DBED CN(C)CCN1C[C@@H](C(=O)Nc2nc(C#N)c(C#N)[nH]2)CC1=O 1363643215 QHKLVNNKJHPHTR-VIFPVBQESA-N 315.337 -0.498 30 20 DBED N#Cc1ncn(CCNC(=O)N[C@@H]2CCN(CC(F)F)C2)n1 1365586400 IHAOGGWDLDKRJL-SECBINFHSA-N 313.312 -0.212 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@@H](CNC(=O)C[C@@H]2CCC(=O)N2)C1 1371678895 SZNQLBXVIJFSQN-FIQHERPVSA-N 306.366 -0.174 30 20 DBED Cc1nn[nH]c1C(=O)NC[C@@H](O)CNCc1ccc(C#N)cc1 1379221438 OCHJIROSXFDFNP-ZDUSSCGKSA-N 314.349 -0.135 30 20 DBED CNC(=O)NCC(=O)NC[C@@H](C)NC(=O)c1cc(C#N)c[nH]1 1386846431 GQHBPKPNFYAYEN-MRVPVSSYSA-N 306.326 -0.950 30 20 DBED COCc1cncc(C(=O)NC[C@@H](O)CNC(=O)[C@@H](C)C#N)c1 1399873189 UNJXNYYTHCHUAH-GWCFXTLKSA-N 320.349 -0.405 30 20 DBED COC[C@@H]1CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)C1 1411814272 NHVYDOKCTGTAGD-SNVBAGLBSA-N 306.322 -0.294 30 20 DBED N#Cc1c[nH]c(C(=O)N2CCS(=O)(=O)[C@@H]3COCC[C@H]32)c1 1417923209 PFBAZANVUADMAE-VXGBXAGGSA-N 309.347 -0.086 30 20 DBED C=C(Cl)CN1CC[C@@](O)(CNC(=O)[C@H]2CCCC(=O)N2)C1 1421372494 VUGAVYLMFPEXNK-BXUZGUMPSA-N 315.801 -0.039 30 20 DBED C[C@@H](C#N)C(=O)NC1CC2(CC(NC(=O)Cn3ncnn3)C2)C1 1427340379 YIMUJSKUCZSGEI-ICYBPSJXSA-N 317.353 -0.624 30 20 DBED C[C@H](CCNC(=O)c1cnn[nH]1)NC(=O)c1c[nH]c(C#N)c1 1431055292 XAGWGJQNKZTVTI-MRVPVSSYSA-N 301.310 -0.057 30 20 DBED CC(=O)N(C)CC(=O)N1CC(NC(=O)c2cc(C#N)c[nH]2)C1 1450309963 LDHLZNWKVVRNGE-UHFFFAOYSA-N 303.322 -0.695 30 20 DBED CC[C@@H](NC(C)=O)C(=O)N(C)CCNC(=O)c1cc(C#N)c[nH]1 1455189584 BBZTZSPFZPCTIE-GFCCVEGCSA-N 319.365 -0.011 30 20 DBED CC[C@@H](CNC(=O)c1cnnn1C)NC(=O)c1c[nH]c(C#N)c1 1456789527 QQBUHWFSDSKAIG-JTQLQIEISA-N 315.337 -0.047 30 20 DBED CC(C)(C#N)CS(=O)(=O)N1CCC[C@@H](CS(N)(=O)=O)C1 1475229785 OXHDYXQURCBWQC-SNVBAGLBSA-N 323.440 -0.134 30 20 DBED C=C(Cl)CNC[C@@H]1CN(C(=O)CN2CCOCC2)CCO1 1502049521 YJPIIEJPQDQSPB-CYBMUJFWSA-N 317.817 -0.112 30 20 DBED C=C[C@@H](O)C(=O)Nc1ccccc1-n1cnc(-c2nn[nH]n2)n1 1573315726 OHENDNMNPQPYFO-SNVBAGLBSA-N 312.293 -0.067 30 20 DBED C#CCCCC(=O)N[C@H]1CCN(CCc2cnn[nH]2)C[C@H]1O 1574866832 LKQBAWHKLVTCEG-UONOGXRCSA-N 305.382 -0.298 30 20 DBED C[C@H](OCc1cnn[nH]1)C(=O)N1CCCO[C@@H](CNCC#N)C1 1575823559 QZRSWVGWRVDWAJ-AAEUAGOBSA-N 322.369 -0.560 30 20 DBED N#Cc1nc(NCCC[C@H]2C=NNC2=O)cnc1-c1nn[nH]n1 1581880398 IMUZYIYNQUHRQS-ZETCQYMHSA-N 312.297 -0.548 30 20 DBED C#C[C@@H](CO)NC(=O)Nc1cc(-c2nn[nH]n2)ccc1OC 1588327247 FLBIJEHWAFJQCS-VIFPVBQESA-N 302.294 -0.009 30 20 DBED C#CCCS(=O)(=O)NC(=O)c1ccc(-c2nn[nH]n2)cc1 1588346933 CFBGIRNRKRYVGI-UHFFFAOYSA-N 305.319 -0.050 30 20 DBED C#CCO[C@H](C)C(=O)N(C)[C@H](C)CN=c1cc[nH]c(C(=O)O)n1 1588489739 BYIUTWSSYNDKOD-GHMZBOCLSA-N 320.349 -0.106 30 20 DBED CC(=O)NCCN(C(=O)Cc1ccc(C#N)nc1)[C@@H](C)C(=O)O 1588507908 VLMUPBUNKBBSIK-JTQLQIEISA-N 318.333 -0.066 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NCCn1cc(C(=O)O)nn1 1588547731 MIEYNBAAARTLAB-JTQLQIEISA-N 309.326 -0.437 30 20 DBED C=CCCCNC[C@@H](O)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 1588601212 ZCDSIYDSTOMSHX-LLVKDONJSA-N 319.369 -0.159 30 20 DBED N#Cc1ncc(N2CCc3ncncc3C2)nc1-c1nn[nH]n1 1592708335 JVGCXHAOYGQZHU-UHFFFAOYSA-N 306.293 -0.119 30 20 DBED COCC[C@](C)(C#N)NC(=O)Cn1cccc(C(=O)O)c1=O 1599206937 FBEQZBIKOINRJW-CQSZACIVSA-N 307.306 -0.019 30 20 DBED O=C(N[C@@H](Cn1cncn1)C(=O)O)c1cccc(C#CCO)c1 1601427789 DJXYKQXRXLTHKG-ZDUSSCGKSA-N 314.301 -0.495 30 20 DBED C=CC[C@@H](C(=O)O)N1CCN([C@@]2(C(=O)OC)CCOC2)CC1 1602834608 ACKVMBWLDQWYNT-WFASDCNBSA-N 312.366 -0.035 30 20 DBED C=CC[C@@H](C(=O)O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 1602834750 CFVAZLQAXYZENI-LBPRGKRZSA-N 309.366 -0.218 30 20 DBED C[C@@H](C(=O)N=c1cc[nH]cc1-c1nn[nH]n1)n1cnc(C#N)n1 1603030361 XISMYMAOCCIWQV-ZETCQYMHSA-N 310.281 -0.654 30 20 DBED COCCOCCCNc1cnc(-c2nn[nH]n2)c(C#N)n1 1605109961 DZKOBELVRFMJHC-UHFFFAOYSA-N 304.314 -0.007 30 20 DBED CNC(=O)CNC(=O)[C@H](C#N)Cc1ccc(-c2nn[nH]n2)cc1 1609288503 USBBFJQWTACBLM-NSHDSACASA-N 313.321 -0.589 30 20 DBED COCCc1noc(Cn2c(C)nc(-c3nn[nH]n3)c2C#N)n1 1609330022 QYXCFZCPFNRMND-UHFFFAOYSA-N 315.297 -0.137 30 20 DBED N#Cc1c(-c2nn[nH]n2)nc(N)n1CC(=O)OCC(F)(F)F 1609496494 PNOKCJOSAKDBMN-UHFFFAOYSA-N 316.203 -0.377 30 20 DBED C[C@@H]1CN(C(=O)C(=O)Nc2ccn(CCC#N)n2)C[C@H]1C(=O)O 1610392854 MTGSOICQAVOONL-NXEZZACHSA-N 319.321 -0.086 30 20 DBED CCN(CCO[C@@H](C)C#N)CC(=O)N[C@H]1CCS(=O)(=O)C1 1645762974 CLLLDZKIFKXDTK-RYUDHWBXSA-N 317.411 -0.460 30 20 DBED CN(C)c1noc(CCC(=O)NCCn2cnc(C#N)n2)n1 1647188907 MGFNSRYWEXQYOX-UHFFFAOYSA-N 304.314 -0.652 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H]1CCCN(Cc2nnnn2C)C1 1713789384 PIEQDBDYWUWVGB-RYUDHWBXSA-N 306.370 -0.671 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)Cc2n[nH]c(C)n2)C1 1732152426 XBZJWNDQDDPSBN-NSHDSACASA-N 306.370 -0.852 30 20 DBED N#CCN1CCN(CCCNC(=O)[C@@H]2CCC(=O)NC2)CC1 1752349445 PKILZORDNSIJLE-CYBMUJFWSA-N 307.398 -0.840 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H]1C[C@@H](NCc2nc(N(C)C)no2)C1 1752731996 WWAKKOOFYOAFIY-UTUOFQBUSA-N 321.381 -0.089 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](C)NCCN1C(=O)CNC1=O 1752900591 DABMENKGQUTKTI-UTUOFQBUSA-N 324.381 -0.776 30 20 DBED C=CCNC(=O)[C@@H](C)N(C)CCNC(=O)[C@@]1(F)CCOC1 1753061533 JXZLNTFYKFHSFS-BXUZGUMPSA-N 301.362 -0.146 30 20 DBED C#CCCCC(=O)NC1CN(CC(=O)N2CCO[C@H](C)C2)C1 1753375802 VTXWMFVTZNDXGJ-CYBMUJFWSA-N 307.394 -0.162 30 20 DBED C#CCNC(=O)CN1CC(CNC(=O)Cc2cnn(C)c2C)C1 1753403717 GMHDQKVTYPECCZ-UHFFFAOYSA-N 317.393 -0.932 30 20 DBED CCO[C@@H](C(=O)N(C)[C@@H]1CCN(CC(=O)NCC#N)C1)C1CC1 1753438094 RVRIAXVJVSLFPX-UKRRQHHQSA-N 322.409 -0.026 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)[C@H](NC(N)=O)C(C)(C)C)C1 1753655624 DEECIKZKXMXOJI-RYUDHWBXSA-N 310.398 -0.480 30 20 DBED C#CCNC(=O)CNC[C@H](C)N(C)C(=O)[C@H]1CCCCN1C 1753698857 LWRFCOZWWRPYNA-UONOGXRCSA-N 308.426 -0.343 30 20 DBED COCC#CCNC[C@H](C)N(C)C(=O)[C@H]1CCc2nncn2C1 1753729142 HJQAOZMOCBUPLM-KBPBESRZSA-N 319.409 -0.073 30 20 DBED C=CCNC(=O)CNCC[C@@H](C)NC(=O)[C@@H]1CCC(=O)N1C 1753991091 KYADVZGEPRRWMH-NEPJUHHUSA-N 310.398 -0.606 30 20 DBED CCOCCNC(=O)CN(C)C[C@@H](C)NC(=O)C#CC1CC1 1754309780 CCDBEDPZQMWDFY-CYBMUJFWSA-N 309.410 -0.011 30 20 DBED COCC#CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1ccc(=O)n(C)n1 1754430705 TYKMZHWWUFHQGU-OSAQELSMSA-N 316.361 -0.767 30 20 DBED CCc1ncoc1C(=O)N[C@H](CNCC(=O)NCC#N)C1CC1 1754451573 LPPQMONKGGWSPA-GFCCVEGCSA-N 319.365 -0.025 30 20 DBED COc1ccc(C(=O)NC[C@@H]2CCN2CC(=O)NCC#N)o1 1754497459 NBXAJYHPTJBEJR-JTQLQIEISA-N 306.322 -0.268 30 20 DBED C#CCNC[C@@H]1CN(C(=O)CN2C(=O)CN(C)C2=O)C[C@@H]1C 1754827158 MYKVEQFTJPOJQE-NWDGAFQWSA-N 306.366 -0.802 30 20 DBED C#CCNC(=O)CN1CCOC[C@H]1CNC(=O)C(C)(C)CC 1754971383 LYQPVTDZMBNMEJ-CYBMUJFWSA-N 309.410 -0.011 30 20 DBED C=CCNC(=O)CN1CC([C@@H](C)NC(=O)Cc2[nH]cnc2C)C1 1755389999 IZYXIYVUQBSUQB-LLVKDONJSA-N 319.409 -0.001 30 20 DBED C=CCOCC(=O)N1CCO[C@@H]([C@H](C)NCc2cnon2)C1 1755439668 RXILYSVZRMBPRU-WCQYABFASA-N 310.354 -0.022 30 20 DBED CN(C(=O)CS(=O)(=O)N(C)C)[C@H](CNCC#N)C1CC1 1755571679 LGTWLFTYPKJYOK-LLVKDONJSA-N 302.400 -0.772 30 20 DBED CCNC(=O)NC(=O)CN[C@H](C)CN(C)C(=O)C#CC1CC1 1755586133 HHGLHNQVMGEEGA-LLVKDONJSA-N 308.382 -0.318 30 20 DBED C#CCN[C@H](CO)CNC(=O)CCNC(=O)C1CCCCC1 1755642043 OAEKYRPGTKAQDQ-AWEZNQCLSA-N 309.410 -0.227 30 20 DBED C=CCCC1(C(=O)N2CC(CCO)(NC(=O)CC(N)=O)C2)CC1 1756080565 ITXKFHHXKJYELZ-UHFFFAOYSA-N 323.393 -0.312 30 20 DBED C#CCCCC(=O)N[C@H](CO)CNC(=O)c1c(C)nn(C)c1F 1756543539 RLACGDGTGVZQNS-NSHDSACASA-N 324.356 -0.122 30 20 DBED C=C[C@@](C)(O)CC(=O)N(C)C[C@@H](O)CNC(=O)C1(CF)CC1 1756661379 YAGVWPUGXJDFOQ-SMDDNHRTSA-N 316.373 -0.001 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)c2cnn[nH]2)CCCO1 1756841994 XFLGBCGVGBFJQA-LBPRGKRZSA-N 319.365 -0.045 30 20 DBED C#CCNC(=O)CC(=O)N(C)C[C@@H]1CCCCN1C(=O)COC 1757545937 CRLPIMIBLPBTHH-ZDUSSCGKSA-N 323.393 -0.388 30 20 DBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)O)C2)C1 1783516428 LBODRLQZUYPEHS-ZENOOKHLSA-N 324.377 -0.765 30 20 DBED C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](C)NC(=O)NCC)C2 1801599893 YERBMNPNOYTIMT-FVCCEPFGSA-N 320.393 -0.035 30 20 DBED O=C(Cn1ccnn1)N1CC2(CCCN2C(=O)C#CC2CC2)C1 1841540586 YGQSXMFCEBNJCC-UHFFFAOYSA-N 313.361 -0.105 30 20 DBED Cn1c(NCc2nnc3n2CCCC3)c(C#N)c(=O)n(C)c1=O 52394891 IGCCROPPAXZNBS-UHFFFAOYSA-N 315.337 -0.504 30 20 DBED N#CCNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 71665797 YLLGMGAWSJALRI-UHFFFAOYSA-N 309.347 -0.039 30 20 DBED CCN(Cc1nc2c(=O)n(C)c(=O)n(C)c2[nH]1)C[C@@H](C)C#N 120460026 WEXLOLOZZFBQBS-VIFPVBQESA-N 304.354 -0.058 30 20 DBED Cn1c(N2CCC(C3OCCO3)CC2)c(C#N)c(=O)n(C)c1=O 195153514 DVKPEPFOYMPGQF-UHFFFAOYSA-N 320.349 -0.455 30 20 DBED C#C[C@H](C)NS(=O)(=O)c1ccccc1S(=O)(=O)NC 195473814 NLKBRVBRUPVRAZ-VIFPVBQESA-N 302.377 -0.105 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@@H]3CC[C@@H](N)[C@H]3C2)C1=O 262361725 IXSPREPXENSKEB-GARJFASQSA-N 320.349 -0.841 30 20 DBED N#Cc1cccc(S(=O)(=O)NCCCN2C(=O)CNC2=O)c1 264524746 WKAGPSGKAQNBAO-UHFFFAOYSA-N 322.346 -0.222 30 20 DBED N#CCN1CCN(C(=O)CNC(=O)NCc2ccco2)CC1 265762784 MIOCPIQREUKZBH-UHFFFAOYSA-N 305.338 -0.253 30 20 DBED C/N=C(/NCCN1CCOCC1)NCc1cnc(N(C)C)n1C 267241090 RVMWIKDJNSYXLJ-UHFFFAOYSA-N 323.445 -0.517 30 20 DBED C=CCNC(=O)CNC(=O)N(C)[C@@H](C)CS(=O)(=O)CC 271981482 JXLJMGUJFNXBEN-JTQLQIEISA-N 305.400 -0.247 30 20 DBED COC(=O)[C@@H]1[C@@H](O)CCCN1CC(=O)N(CCC#N)CCC#N 275505441 HGVMNDZXNXXVNK-JSGCOSHPSA-N 322.365 -0.359 30 20 DBED Cc1ccn(C[C@](C)(O)C(=O)N2CCN(CC#N)CC2)c(=O)c1 279570391 LRNFQNRMTPCPAT-INIZCTEOSA-N 318.377 -0.425 30 20 DBED Cn1c(NCC2([S@@](C)=O)CCC2)c(C#N)c(=O)n(C)c1=O 280800484 RWTDSIVKFVZQEN-OAQYLSRUSA-N 310.379 -0.331 30 20 DBED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCCN1CCNC(=O)C1 281686800 BGEFWQJXOABVPS-TZMCWYRMSA-N 310.398 -0.301 30 20 DBED C[C@H](C/N=C(/O)NC[C@@]1(O)CCOC1)CN1CCOCC1 328725194 BFSGFRIATIVCEQ-OCCSQVGLSA-N 301.387 -0.390 30 20 DBED C=CCN1CC[C@H](N2CCN(c3nc(N)ns3)CC2)C1=O 328863241 ZEFJVIMTQCNDGC-JTQLQIEISA-N 308.411 0.029 30 20 DBED O=S1(=O)CCC[C@H](/N=C(/O)N2CCN3CCOC[C@@H]3C2)C1 329777455 KLTONVAIONXVPF-RYUDHWBXSA-N 317.411 -0.506 30 20 DBED CN1CCO[C@H](C/N=C(/O)NC[C@@H]2CCCS2(=O)=O)C1 330084357 QWWZVRXOHUEFAX-MNOVXSKESA-N 305.400 -0.602 30 20 DBED CS(=O)(=O)c1ccc(N=C(O)N2C[C@H](O)C[C@@H]2CO)cn1 330651468 IEQDKYHUOSBNPB-NXEZZACHSA-N 315.351 -0.542 30 20 DBED C=CCCS(=O)(=O)N1CCC[C@H](CNS(N)(=O)=O)C1 330855527 PJKWIBKJXDKAFV-SNVBAGLBSA-N 311.429 -0.603 30 20 DBED CCOCC/N=C(/O)N1CCC[C@H](n2cnc(C(N)=O)n2)C1 331204089 RWMCVRTWRQLWPH-JTQLQIEISA-N 310.358 -0.036 30 20 DBED CCN1C[C@H](C)N(S(=O)(=O)N2CCO[C@@H](C#N)C2)C[C@@H]1C 336949497 RSTLRZMFVCKFKU-AVGNSLFASA-N 316.427 -0.130 30 20 DBED CCN1CCCC[C@H]1CNS(=O)(=O)N1CCO[C@@H](C#N)C1 337097969 SODGHTPBKHBBHT-STQMWFEESA-N 316.427 -0.080 30 20 DBED C=CCCOCCNC(=O)C(=O)N1CC[C@H](NC(=O)NC)C1 342013741 ZJQYCVNTNNCPOM-NSHDSACASA-N 312.370 -0.775 30 20 DBED N#Cc1ncn(CCNC(=O)N[C@@H](C(N)=O)c2ccccc2)n1 347620014 ZOPYPZJIKHXFGI-GFCCVEGCSA-N 313.321 -0.324 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(CCc2cnn(C)c2)c1=O 347862332 NWNVMCMAEVBDJB-UHFFFAOYSA-N 317.349 -0.480 30 20 DBED C[C@H]1[C@@H](N2CCOCC2)CCN1S(=O)(=O)N(C)CCC#N 349782635 ZVPJRZWNVBIWQF-STQMWFEESA-N 316.427 -0.128 30 20 DBED COCCN(CCC#N)S(=O)(=O)N(C)[C@@H]1CCC[C@H]1O 352595966 GDQSIJNQDIDPGZ-VXGBXAGGSA-N 305.400 -0.062 30 20 DBED Cc1ccc(-n2cnnn2)cc1NC(=O)NCC(=O)NCC#N 353318694 TXNTWEYLCZRTOW-UHFFFAOYSA-N 314.309 -0.268 30 20 DBED Cn1[nH]cnc1=NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 354967190 NJRIZPRWKKPXKM-UHFFFAOYSA-N 320.334 -0.974 30 20 DBED C=CC[C@H](NC(=O)N[C@H]1CCCN(S(C)(=O)=O)C1)C(=O)O 400122207 MIMSOJYOZZPZQF-UWVGGRQHSA-N 319.383 -0.261 30 20 DBED CN(C)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)nc2)CC1 401818820 YBOIFHMATGYYGW-UHFFFAOYSA-N 323.378 -0.059 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N1CCC(CC(N)=O)CC1 407956347 VIWOISOKNMSQCS-SNVBAGLBSA-N 302.400 -0.090 30 20 DBED C[C@H](CNC(=O)N1CCO[C@@H](C#N)C1)CN1CCN(C)CC1 408253114 DZCLSLDFLKFZDL-KGLIPLIRSA-N 309.414 -0.196 30 20 DBED CCN(C[C@@H](C)C#N)C(=O)C(=O)Nc1ccn(CCN(C)C)n1 437418316 GFETXZJRGTXFSJ-LBPRGKRZSA-N 320.397 0.391 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)CCOCC(F)F)CC1 491120176 LNTFUEXOMCVRCP-UHFFFAOYSA-N 317.336 -0.448 30 20 DBED C#C[C@@H](C)N(C)S(=O)(=O)CCCS(=O)(=O)NCC#N 491485370 OQOUGNOMJFUQFU-SNVBAGLBSA-N 307.397 -0.897 30 20 DBED C=CCN(CCCOC(=O)NC(N)=O)[C@@H]1CCS(=O)(=O)C1 494153746 HEUZTPNTANWBBN-SNVBAGLBSA-N 319.383 -0.144 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(Cc2nccc(C)n2)c1=O 535920067 WRXGRNKBBVAEFH-UHFFFAOYSA-N 315.333 -0.310 30 20 DBED CC#CCCNC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 542672970 GXDMVNZRCVTHTK-AWEZNQCLSA-N 307.394 -0.303 30 20 DBED C[C@@H]1CN(CCNS(=O)(=O)N(C)[C@H](C)CC#N)CCO1 548983071 PBHLUYIFJMHYTK-VXGBXAGGSA-N 304.416 -0.225 30 20 DBED Cc1cc(NC(=O)C(=O)N(C)[C@@H]2COC[C@H]2O)ncc1C#N 563384081 FLSFHGSZGBNDDW-GHMZBOCLSA-N 304.306 -0.582 30 20 DBED CN(C)C[C@@H](CO)NCCS(=O)(=O)c1ccc(C#N)cc1 564977104 XZURBMISOYAOOB-ZDUSSCGKSA-N 311.407 -0.156 30 20 DBED CN(C)[C@H]1CCCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 568962324 DAKZEBUGVJTOFQ-STQMWFEESA-N 316.427 -0.128 30 20 DBED N#CC1CN(C(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)C1 590486271 CSVPKQLVVVMION-QWRGUYRKSA-N 311.363 -0.996 30 20 DBED C=CCC[C@@H](NC(=O)C1=NN2CCCN=C2N1)C(=O)OCC 597734000 ZCVJQYSDJMQZIG-SNVBAGLBSA-N 307.354 -0.021 30 20 DBED CC(=O)NC[C@@H]1CCCCN1c1c(C#N)c(=O)n(C)c(=O)n1C 599201082 GRLGUIRETSGJOS-NSHDSACASA-N 319.365 -0.549 30 20 DBED C=C[C@@](C)(O)C(=O)N1CCC(n2cnc(C(N)=O)c2N)CC1 614497650 SFHJRYQYCMYQNL-CQSZACIVSA-N 307.354 -0.335 30 20 DBED C[C@H](C[C@H]1CCOC1)NS(=O)(=O)N1CCO[C@@H](C#N)C1 619712135 JXXHTJWDAUHXRL-UTUOFQBUSA-N 303.384 -0.140 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N(C)C[C@H]1COCCO1 658687175 QQZYFBBTRJHESS-LBPRGKRZSA-N 300.355 -0.479 30 20 DBED Cc1nn(C)c2ncc(C=NNC(=S)NCC(N)=O)cc12 731929713 JSPIZMZOMNTIBR-UHFFFAOYSA-N 305.367 -0.440 30 20 DBED CCN(CCC#N)C(=O)COC(=O)c1cn(C)c(=O)n(C)c1=O 735155743 WUVOKVSHCJVHSY-UHFFFAOYSA-N 322.321 -0.997 30 20 DBED CNS(=O)(=O)c1ccc(C(=O)N(CC#N)CC(=O)O)cc1 737559077 POGIGNNIJWFNQX-UHFFFAOYSA-N 311.319 -0.355 30 20 DBED C#CCCCC(=O)OCc1nc2c(=O)n(C)c(=O)n(C)c2[nH]1 759176096 KQWNVOIXLCQPNO-UHFFFAOYSA-N 304.306 -0.193 30 20 DBED C#CCNS(=O)(=O)N1CCN(Cc2nccc(C)n2)CC1 761038931 ZRYPSOUQQWVEJT-UHFFFAOYSA-N 309.395 -0.630 30 20 DBED C[C@H](OC(=O)CNS(=O)(=O)c1ccccc1C#N)C(N)=O 769202030 CLLOYHCGXZIFFD-QMMMGPOBSA-N 311.319 -0.746 30 20 DBED C#C[C@H](C)NC(=O)c1cnc2c(c1C)c(=O)n(C)c(=O)n2C 775383848 MHIICKSQAMFDRC-QMMMGPOBSA-N 300.318 -0.308 30 20 DBED C#CCOCCNC(=O)NCCCN(CC)S(C)(=O)=O 784237273 RGOYMIBFWDHIAE-UHFFFAOYSA-N 305.400 -0.393 30 20 DBED CCN(CCS(C)(=O)=O)S(=O)(=O)N(C)C[C@@H](C)C#N 800089983 GONQSYFYGCIFPG-JTQLQIEISA-N 311.429 -0.311 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C)[C@@H]1CCCO1 809313538 VLFLGGVPUITNTQ-BEAPCOKYSA-N 319.405 -0.118 30 20 DBED CNC(=O)[C@H](O)CNS(=O)(=O)c1ccc(C#N)c(F)c1 813698677 XWHHUCHHFIOYLE-SNVBAGLBSA-N 301.299 -0.917 30 20 DBED C[C@](C#N)(CC(=O)O)C(=O)N1CCO[C@@H](Cn2cncn2)C1 819824511 YQGQIEPQVDTSAX-ZWNOBZJWSA-N 307.310 -0.490 30 20 DBED CN(CC(=O)N[C@H]1CNC[C@@H]1C#N)S(=O)(=O)c1ccccc1 834517285 TZRAKWHLWIHDJN-AAEUAGOBSA-N 322.390 -0.465 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N1C[C@H](O)C[C@@H]1C(=O)O 844793194 KNKRJMRHRMIRBD-OPRDCNLKSA-N 305.356 -0.767 30 20 DBED C#CC[C@@H](NS(=O)(=O)N1CCC(OC)CC1)C(=O)OC 849398013 IRRNSSIFGJMIQT-LLVKDONJSA-N 304.368 -0.504 30 20 DBED C#CCNC(=O)CN1CCN(CCN2C[C@@H](C)O[C@H](C)C2)CC1 851750737 JECQQJFPYVTOBM-HZPDHXFCSA-N 322.453 -0.537 30 20 DBED C#CCOCCN1CCC(N2CCS(=O)(=O)CC2)CC1 851909340 BOXDGVIYLPPJAK-UHFFFAOYSA-N 300.424 -0.169 30 20 DBED CC(=O)NCC(=O)OCC#CCN1C(=O)c2ccccc2C1=O 859451749 HTGWGXCJAKIOMQ-UHFFFAOYSA-N 314.297 -0.035 30 20 DBED Cn1cc(N2C[C@@H](C(=O)[C@H](C#N)C(=O)NC3CC3)CC2=O)cn1 860472826 FJQXOAVWCZJGES-CABZTGNLSA-N 315.333 -0.240 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)OC[C@H]2CCO[C@H]2C)C1=O 869377196 UKUJHKDWZQVSRL-VHSXEESVSA-N 310.306 -0.069 30 20 DBED N#CCCN1CCN(C(=O)C(=O)NC[C@@H]2CCCNC2)CC1 884681404 VALUBVVWWHZDRM-CYBMUJFWSA-N 307.398 -0.840 30 20 DBED Cn1c(N2CCC[C@@H]2C2OCCO2)c(C#N)c(=O)n(C)c1=O 897009338 AKNZWBRXSUBYHE-SNVBAGLBSA-N 306.322 -0.703 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)c2ccc(C(N)=O)cn2)C1 938191643 VIKFBWCIRODZMZ-ONGXEEELSA-N 315.333 -0.329 30 20 DBED CO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1NC(=O)c1cnccn1 941066120 PDPJIOAJIOQESM-YUSALJHKSA-N 303.322 -0.408 30 20 DBED CO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1NC(=O)c1snnc1C 941161630 ZJVQHCHJBUIOCU-FXBDTBDDSA-N 323.378 -0.038 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](NC(=O)c2ccn(C)c(=O)c2)C1 941418446 JWBKHSMRMITILQ-ZYHUDNBSSA-N 302.334 -0.124 30 20 DBED C=CC(C)(C)C(=O)N1CCC[C@@H](NC(=O)Cn2cnnn2)C1 951540494 SMWFAGHTOOKMBS-LLVKDONJSA-N 306.370 -0.008 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(C)(NC(=O)[C@@H]2CN(C)CCO2)CC1 956325566 YTDRLRGTOQBIQB-STQMWFEESA-N 322.409 -0.026 30 20 DBED C=CCCN1C[C@@H](O)[C@@H](CNC(=O)c2coc(C(N)=O)c2)C1 958281835 QOULVJCZTWCVTG-NWDGAFQWSA-N 307.350 -0.023 30 20 DBED C#CCN1C[C@H](CNC(=O)c2c(C)c(C)nn(C)c2=O)[C@@H](O)C1 958309636 OPAAOEQBGQOMTF-STQMWFEESA-N 318.377 -0.947 30 20 DBED C=CCN1C[C@H](O)[C@H](CNC(=O)c2ccn3nnnc3c2)C1 958321122 SMRFDNPVRUGHBI-NEPJUHHUSA-N 302.338 -0.667 30 20 DBED CC#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cc(C(N)=O)cs2)C1 958729478 WGGKALONEBOZNJ-NWDGAFQWSA-N 321.402 -0.107 30 20 DBED C#CCCN1C[C@H]2C(NC(=O)[C@H]3C[C@H](OC)CN3C(C)=O)[C@@H]2C1 961354848 GKGHYHSNXYBACM-GBJTYRQASA-N 319.405 -0.308 30 20 DBED C=C(Cl)CN1C[C@H]2C(NC(=O)CN3CCNC(=O)C3)[C@@H]2C1 961458301 NAEBLBUEMCGWGS-GHMZBOCLSA-N 312.801 -0.783 30 20 DBED C#CCCN1C[C@H]2C(NC(=O)[C@H]3CCCS(=O)(=O)C3)[C@@H]2C1 961907588 BYCIIGDRSRNNRL-YNEHKIRRSA-N 310.419 -0.119 30 20 DBED CC(=O)N1CCO[C@@H](C(=O)NC2CC3(CC(NCC#N)C3)C2)C1 965893622 KRJFDTWVYQUGFJ-SWAPUOLTSA-N 320.393 -0.226 30 20 DBED CC(=O)N1CCOC[C@@H]1C(=O)NC1CC2(CC(NCC#N)C2)C1 965925347 LKOUAZDBEFLONZ-SWAPUOLTSA-N 320.393 -0.226 30 20 DBED C#CCN1CC[C@H](C)[C@@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)C1 968509635 MPLRYGNLFYMIQT-RYUDHWBXSA-N 320.393 -0.223 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1[C@H]2CC[C@H]1CN(C(=O)C(N)=O)C2 969114595 CFMYKCOCCPMTPS-CYDGBPFRSA-N 321.377 -0.345 30 20 DBED C[C@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)CCn1cnnn1)C2 969806513 SHUBPBZCHQPPSV-WOPDTQHZSA-N 317.353 -0.575 30 20 DBED CNC(=O)CN1C[C@H]2CC[C@H]1CN2C(=O)c1ccc(C#N)[nH]1 971278474 IWBVLEIYPHSACO-NWDGAFQWSA-N 301.350 -0.079 30 20 DBED N#CCN1C[C@H]2CC[C@H]1CN2C(=O)[C@@H]1CCc2nnc(O)n2C1 971535843 JBGVVHSLHCPNSG-GRYCIOLGSA-N 316.365 -0.255 30 20 DBED C#CCCN1CCO[C@]2(CCN(C(=O)[C@H]3COCCN3C)C2)C1 972349571 ZUWHBGZYPVEVIK-NVXWUHKLSA-N 321.421 -0.356 30 20 DBED CC#CCN1CCO[C@@]2(CCN(C(=O)[C@@]3(C)CNC(=O)C3)C2)C1 972480813 SVCVFHJEJFKHBP-SJORKVTESA-N 319.405 -0.161 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)CCc3cnn[nH]3)[C@@H]2C1 975246505 NHCNRKDLVGSZFW-NQBHXWOUSA-N 316.365 -0.044 30 20 DBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C[C@H]1CCN1C(=O)C(N)=O 977771928 DMAFGSUADKXVEV-AGIUHOORSA-N 323.393 -0.098 30 20 DBED C#CCN1CCCN(C(=O)Cc2ccc(C(N)=O)nc2)CC1 981446185 VWFUFGOMAJIWOX-UHFFFAOYSA-N 300.362 -0.110 30 20 DBED CN1CC(=O)N(CC(=O)N[C@H]2CCC[C@@H](NCC#N)C2)C1=O 981507556 YQTRGNQTPNVFPX-MNOVXSKESA-N 307.354 -0.579 30 20 DBED C#CCN[C@H]1CCN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)[C@@H]1C 987188420 IRMPFEQJHGOYRN-PWSUYJOCSA-N 314.349 -0.717 30 20 DBED N#Cc1c[nH]c(C(=O)NC2CN(C(=O)C[C@H]3CCNC3=O)C2)c1 990707893 DYRWKINQIPLPHZ-SNVBAGLBSA-N 315.333 -0.647 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H](NC(=O)C3CC3)[C@@H](O)C2)nn1 991162360 LYKAFNYBRVDITG-AAEUAGOBSA-N 319.365 -0.434 30 20 DBED C#CCCN1CCC[C@H](NC(=O)Cn2ccc(O)nc2=O)[C@H]1C 993568933 NMICVCZWEURPLG-OLZOCXBDSA-N 318.377 -0.059 30 20 DBED COc1ncnc(OC)c1C(=O)NC1CN(C(=O)[C@@H](C)C#N)C1 994943332 JPGICZOOQBCKIA-QMMMGPOBSA-N 319.321 -0.406 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CCC(=O)NC2)C1 995137259 HEPIMLZEOMVKBO-RTXFEEFZSA-N 321.377 -0.569 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC(=O)N(C2CN(C(C)=O)C2)C1 995500294 FXQQWZRUOUTFQF-BNOWGMLFSA-N 321.377 -0.475 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@H](C)[C@H](NC(=O)C(N)=O)C2)cn1 1005218922 SRNUKODOKRPMTN-GXFFZTMASA-N 314.345 -0.485 30 20 DBED C[C@@H](NC(=O)c1ccc(C#N)[nH]1)C1CN(C(=O)CC(N)=O)C1 1005923698 FBNMWFPWRVFHPZ-MRVPVSSYSA-N 303.322 -0.662 30 20 DBED C=CCCn1cc(C(=O)N(C)C2CCN(CC(N)=O)CC2)nn1 1006113320 SYZYMSNSBQMVQO-UHFFFAOYSA-N 320.397 -0.124 30 20 DBED O=C(C#CC1CC1)N1CCN(C(=O)c2ccc3nnnn3c2)CC1 1011112061 ZJZLSPPCIQSGOB-UHFFFAOYSA-N 324.344 -0.178 30 20 DBED Cc1cc(NC(=O)C(=O)N2CCN(C(=O)[C@@H](C)C#N)CC2)no1 1011155631 GHQHRORRJBJZJM-VIFPVBQESA-N 319.321 -0.248 30 20 DBED CCn1nc(C(=O)N2CCN(C(=O)[C@H](C)C#N)CC2)ccc1=O 1012010198 MQYCOTVEZKHDMX-LLVKDONJSA-N 317.349 -0.293 30 20 DBED C=CCCN1CC[C@@H](NC(=O)C2CC3(C2)NC(=O)NC3=O)C1 1015831373 STPLNZRZTNZODA-LOIXOFCESA-N 306.366 -0.259 30 20 DBED C=C(Cl)CN1CC[C@H](NC(=O)CN2C(=O)CN(C)C2=O)C1 1016200903 ZQCFUBFRCLWCBD-JTQLQIEISA-N 314.773 -0.177 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2CC[C@H](C)N(C(=O)C(N)=O)C2)cn1 1018296596 BWYYGUAPKAGPSC-GWCFXTLKSA-N 314.345 -0.343 30 20 DBED C[C@H](C#N)C(=O)N1CCC2(CN(C(=O)c3cc(=O)n(C)o3)C2)C1 1018973084 DFSYNWNNEKGPLA-SNVBAGLBSA-N 318.333 -0.188 30 20 DBED C=C1CC(C)(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cnn(C)n3)C2)C1 1024660285 NHLISRSENYUDBB-VXGBXAGGSA-N 319.365 -0.527 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)[C@H]1CCCNC1=O 1026616504 XHCYDHFKPLDIMF-KWCYVHTRSA-N 317.389 -0.111 30 20 DBED C#CCN1[C@H]2CC[C@H]1CN(C(=O)CN1CCCS1(=O)=O)C2 1029329869 OKCZWCJOXRABRQ-STQMWFEESA-N 311.407 -0.670 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)c2cc(=O)n3[nH]cnc3n2)C1 1033579639 AVHFREBLCHXJTH-SNVBAGLBSA-N 302.338 -0.250 30 20 DBED CC#CCN1CC[C@@H](N(C)C(=O)CN2C(=O)CN(C)C2=O)C1 1033642435 MSLUESHIULHZSR-GFCCVEGCSA-N 306.366 -0.564 30 20 DBED C[C@@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)CSCC#N)C1 1040759699 CIGBALACJPXYDM-GXFFZTMASA-N 310.379 -0.518 30 20 DBED CCn1ncc(C(=O)N2CC[C@](O)(CNC(=O)[C@H](C)C#N)C2)n1 1040764784 YXWOITTWEHSHRP-YGRLFVJLSA-N 320.353 -0.849 30 20 DBED CC[C@H](OC)C(=O)N1CC(O)(CNC(=O)CSCC#N)C1 1041568821 PPJRQPFGUOMPKN-JTQLQIEISA-N 315.395 -0.642 30 20 DBED CS[C@H](C)C(=O)NCC1(O)CN(C(=O)c2ccc(C#N)[nH]2)C1 1041614808 BGWQLKCGEIXCFD-SECBINFHSA-N 322.390 -0.059 30 20 DBED CC#CCCCC(=O)N1CC(O)(CNC(=O)[C@H]2CCOC2)C1 1041889781 RQKSCARNAYHMIR-ZDUSSCGKSA-N 308.378 -0.094 30 20 DBED Cc1ccc(=O)n(CC(=O)N2CC[C@H]3CCN(CC#N)[C@@H]3C2)n1 1042321376 DNDLMZLOROIDKI-ZIAGYGMSSA-N 315.377 -0.002 30 20 DBED CN(C(=O)c1c[nH]c(C#N)c1)C1CN(Cc2nc(O)n[nH]2)C1 1042637991 ZACKOGUIXNVWCK-UHFFFAOYSA-N 301.310 -0.334 30 20 DBED C=CCN1CC[C@@H](N2CC(N(C)C(=O)Cn3nccn3)C2)C1=O 1042797340 QXKZPMUBKQRFCA-CYBMUJFWSA-N 318.381 -0.792 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)[C@@H](OC)C2CC2)C1 1042802082 CTCGZQUYUGFFNN-AWEZNQCLSA-N 308.378 -0.096 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)CCCN2CCCC2)C1 1043418741 BHNSWGIDBHQOES-ZDUSSCGKSA-N 322.409 -0.288 30 20 DBED C[C@@H]1CN(C(=O)[C@@H]2CCNC2=O)C[C@H]1Nc1nccnc1C#N 1043431877 JRAZXSYGWJKVDM-CKYFFXLPSA-N 314.349 -0.257 30 20 DBED C=C(C)C[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2nc[nH]n2)C1 1045058917 JOEDCMFTILDLAR-SNVBAGLBSA-N 307.354 -0.290 30 20 DBED C#CCN1CC[C@@H](N2CCN(C(=O)[C@H]3CCC(=O)NC3)CC2)C1 1046042863 OHCPYDIGYFTSNG-LSDHHAIUSA-N 318.421 -0.636 30 20 DBED N#Cc1ccc(N[C@H]2C[C@H](CNC(=O)[C@H]3CCC(=O)N3)C2)nn1 1046749457 KMHWPTXVJIFBOI-YUSALJHKSA-N 314.349 -0.066 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1C[C@H](CNC(=O)[C@H]2COC(=O)N2)C1 1046809582 XTFNCARVKAZAQC-IRUJWGPZSA-N 315.333 -0.210 30 20 DBED Cc1cn(C(C)(C)C(=O)N(C)[C@H]2CN(CC#N)C[C@@H]2O)cn1 1047425702 ABYXDBGXJOJPMH-STQMWFEESA-N 305.382 -0.046 30 20 DBED C=C[C@@](C)(O)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CSC)C1 1048170191 BOHCCRQSHOTGPX-COPLHBTASA-N 316.423 -0.293 30 20 DBED CC(C)C#CC(=O)N(C)[C@H]1CN(C(=O)Cc2cc[nH]n2)C[C@@H]1O 1048811275 SOBHQWPWBJKILY-KBPBESRZSA-N 318.377 -0.358 30 20 DBED C=CCCOCC(=O)N(C)[C@H]1CN(C(=O)c2ccon2)C[C@@H]1O 1049007800 RIXFLJTXEDZFAL-STQMWFEESA-N 323.349 -0.089 30 20 DBED C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC(=O)NC(=O)N1 1049752958 IGXMQZFQQBCXTA-SDDRHHMPSA-N 304.350 -0.717 30 20 DBED CC#CCN1CCOC[C@@H]1CNC(=O)c1cn(C)c(=O)n1C 1051263461 YOGYSEXOBBWJCZ-LBPRGKRZSA-N 306.366 -0.822 30 20 DBED C=C[C@@](C)(O)CC(=O)N1C[C@H]2CN(C(=O)c3nc[nH]n3)C[C@H]2C1 1055313439 PRVGLZWADCCKDR-JRPNMDOOSA-N 319.365 -0.338 30 20 DBED C[C@H](C#N)C(=O)NC1CCN(CCNC(=O)[C@@H]2CCOC2)CC1 1055540253 XGTGBMOZKZXVJS-CHWSQXEVSA-N 322.409 -0.121 30 20 DBED Cc1c[nH]nc1C(=O)N[C@@]1(CO)CCCN(C(=O)[C@H](C)C#N)C1 1055934313 CAOKKJLBYYYEJU-BMIGLBTASA-N 319.365 -0.039 30 20 DBED CC(=O)N1CC(C(=O)N2CC[C@@H](N=c3cc[nH]cc3C#N)C2)C1 1056618312 VFMDOZXMJXNFKY-CQSZACIVSA-N 313.361 -0.134 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)Cc1ccn(C)n1 1057439681 WOJUGNAEQOJJLI-UHFFFAOYSA-N 320.393 -0.297 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)C1CCC(O)CC1 1057460825 OBTHUMHEGORGLA-HIFPTAJRSA-N 311.382 -0.366 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)c1ccncn1 1057519160 KIMKLBBMOSRQMY-UHFFFAOYSA-N 304.350 -0.313 30 20 DBED CS(=O)(=O)CC(=O)N1CCC[C@H](N=c2cc[nH]c(C#N)n2)C1 1057577948 RSTAUKQUOFDJPI-JTQLQIEISA-N 323.378 -0.782 30 20 DBED N#Cc1cnc(N2CCC(NC(=O)Cn3cnnn3)CC2)cn1 1057840777 SJRNRORIRMWMRU-UHFFFAOYSA-N 313.325 -0.880 30 20 DBED N#Cc1cncc(N2CCC[C@H](NC(=O)[C@@H]3COC(=O)N3)C2)n1 1058152295 PKTQXBDPKLNGAW-ONGXEEELSA-N 316.321 -0.458 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)c1cn(CC)cn1 1058164976 LKNRPKIWBJULLW-UHFFFAOYSA-N 324.381 -0.344 30 20 DBED Cc1cc(C#N)nc(N2CC[C@@H](NC(=O)[C@@H]3COC(=O)N3)C2)n1 1058350994 XQOXADYBWNMXJV-KOLCDFICSA-N 316.321 -0.540 30 20 DBED Cc1c(C(=O)NCCN(CCO)C(=O)[C@H](C)C#N)cnn1C 1058653621 ZXUIYAFDRMGRPJ-SNVBAGLBSA-N 307.354 -0.561 30 20 DBED C#CCO[C@H](C)C(=O)NCCN(CCO)C(=O)c1oncc1C 1058698665 DTESVBKPRRWBLX-GFCCVEGCSA-N 323.349 -0.428 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)c1cn(C)c(O)n1 1058714502 ALFMPVNORCRPCL-UHFFFAOYSA-N 322.365 -0.664 30 20 DBED N#Cc1nc(=NC[C@@H]2CCN(C(=O)C3=COCCO3)C2)cc[nH]1 1060786954 SOLZKTUTYWPMDF-NSHDSACASA-N 315.333 -0.081 30 20 DBED C=CCCO[C@@H](C)C(=O)N1CCC2(CC1)CN(C(=O)C(N)=O)C2 1061111984 RCOSIHRFHJOJKP-LBPRGKRZSA-N 323.393 -0.096 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)[C@H]2COCCN2C)CCC1 1062823649 AZVOTBXWRUXTER-NWDGAFQWSA-N 308.382 -0.368 30 20 DBED N#Cc1cncc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)Cn2cncn2)n1 1064257447 XXOMZQQGLVPWCL-PUYPPJJSSA-N 310.321 -0.667 30 20 DBED N#Cc1c(Cl)nsc1N1C[C@H]2C[C@H]1[C@@H]2NC(=O)C(N)=O 1064336168 AYLUVPWKOJUPTA-PRMYIZFSSA-N 311.754 -0.153 30 20 DBED N#Cc1cncc(N2[C@H]3CC[C@H]2CN(C(=O)CC(N)=O)CC3)n1 1065139484 BQLNICXHUPLXRX-RYUDHWBXSA-N 314.349 -0.207 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CN(C(=O)C2(CN(C)C)CC2)CCO1 1065537369 OFZOKEFPWYRUGZ-QWHCGFSZSA-N 322.409 -0.169 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)CCCN(C)C(=O)c1cnn[nH]1 1067429813 DLYFSDQOFKICJD-NSHDSACASA-N 307.354 -0.237 30 20 DBED C#CCNC(=O)CC(=O)N1CC2(C1)CN(C(=O)C(C)C)CCO2 1068305270 ODJSJVKVTCYTDA-UHFFFAOYSA-N 321.377 -0.778 30 20 DBED C[C@@H]1[C@H](N=c2cc[nH]cc2C#N)CCN1C(=O)Cn1ncnn1 1068901284 OQJOCJYNMIRUED-ZYHUDNBSSA-N 312.337 -0.537 30 20 DBED C=CCCC(=O)N1CC2(C[C@H](NC(=O)Cc3nc[nH]n3)CO2)C1 1069045100 AGPAVDZIYQHJID-NSHDSACASA-N 319.365 -0.201 30 20 DBED C[C@@H]1C[C@H](N=c2cc[nH]c(C#N)n2)CN1C(=O)c1nnn(C)n1 1069177910 HPHSUPXQFOBZPX-BDAKNGLRSA-N 313.325 -0.991 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)CC2=CCOCC2)C1 1070018223 ZIOUMHMBWRMWHN-CABCVRRESA-N 315.377 -0.010 30 20 DBED CC#CCCCC(=O)NC1(CNC(=O)C(N)=O)CCOCC1 1070205914 XOVNINNXRBXSPO-UHFFFAOYSA-N 309.366 -0.553 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)[C@@H]2CCC(=O)N2)CCOCC1 1070232720 PRDFKPCKRLZWMK-QWRGUYRKSA-N 322.365 -0.794 30 20 DBED CN1CCOC[C@H]1C(=O)N1C[C@H]2C[C@@H]3CN(CC#N)C[C@]2(C1)O3 1070789510 ASNRXCAEEMXZGI-HGTKMLMNSA-N 320.393 -0.858 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)C[C@@H]2CCCO2)CC1 1070942274 XFUIPMNRZAVPEB-AWEZNQCLSA-N 307.394 -0.161 30 20 DBED CC#CCN1CCNC(=O)CCN(C(=O)c2cn[nH]c2)CC1 1070943595 VVBUHSROUPYLHE-UHFFFAOYSA-N 303.366 -0.303 30 20 DBED C[C@@H]1CO[C@@H](C(=O)N2CCC(=O)NCCN(CC#N)CC2)C1 1070980912 AOCFYURFYZFCLB-QWHCGFSZSA-N 308.382 -0.415 30 20 DBED C=CCOCC(=O)N1C[C@H](C)[C@H](NC(=O)CN2CCCC2=O)C1 1071809257 RUYZGNJSSRPZRU-QWHCGFSZSA-N 323.393 -0.226 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(C(=O)CC(=O)NC)C[C@@H]1C 1071970801 OFRSHVDFHSRGAH-NWDGAFQWSA-N 311.382 -0.322 30 20 DBED C#CCCN1C[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)CC[C@H]1C 1072033833 PLQDBNIZQSAFPU-OCCSQVGLSA-N 319.409 -0.117 30 20 DBED C#CCCN1CCC2(C1)CN(C(=O)CC1CS(=O)(=O)C1)C2 1072879102 LOIAGMIQTQTELD-UHFFFAOYSA-N 310.419 -0.021 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CCN(C(=O)[C@@H]2CCCO2)CC1 1074453257 VEKSFGZNMLGAOR-NEPJUHHUSA-N 309.366 -0.205 30 20 DBED C=CCCOCC(=O)N[C@H]1CCN(C(=O)CC(N)=O)[C@@H](C)C1 1075041587 UVOIFMWECNPNRM-RYUDHWBXSA-N 311.382 -0.050 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2c[nH]cc2-c2cnn(C)c2)C1 1076989113 UETOHDKQASWKHP-HUUCEWRRSA-N 313.361 -0.177 30 20 DBED CC(C)(C)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CN(CC#N)C[C@H]1O 1077040058 ACIMBLRGXHJMJG-FRRDWIJNSA-N 322.409 -0.292 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)c2cc(C)c(C(N)=O)cn2)C1 1077704385 QTPVAYLVZQPAEB-ZIAGYGMSSA-N 318.377 -0.160 30 20 DBED Cn1ncc2cc(C(=O)N[C@@H]3CN(CC#N)C[C@H]3O)cnc21 1077893898 LZEVXGWRRGYZFV-VXGBXAGGSA-N 300.322 -0.733 30 20 DBED CNC(=O)NCC(=O)N1CCC[C@@H](N(C)C(=O)[C@@H](C)C#N)CC1 1079058437 DRCFZXJRJAILNA-NWDGAFQWSA-N 323.397 -0.085 30 20 DBED CC#CCCCC(=O)N(CC)C1CN(C(=O)Cn2ncnn2)C1 1080298718 ZFWALKUQKJXAIA-UHFFFAOYSA-N 318.381 -0.074 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CO)(NC(=O)[C@@H]2CCCO2)CC1 1080705762 SSTWOCKGWJWCLH-NEPJUHHUSA-N 309.366 -0.205 30 20 DBED C=CCCC(=O)N1C[C@H](CNC(=O)CC(=O)NCC)[C@@H](O)C1 1081421607 BJLPTMOLTNSUQH-RYUDHWBXSA-N 311.382 -0.586 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)c2ccnn2C)C[C@H]1O 1081441018 CLEJODUZFBCHFH-GXTWGEPZSA-N 318.377 -0.227 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@H]2CCn3cncc3C2)[C@H](OC)C1 1081867203 JONLBSYDLIHFEG-NWANDNLSSA-N 302.378 -0.106 30 20 DBED C=CCO[C@H](C)C(=O)N1CCCC[C@H]1CNC(=O)CC(N)=O 1082137523 VOGZOTZYMUHFKM-NEPJUHHUSA-N 311.382 -0.050 30 20 DBED C#CCCN1C[C@@H](NC(=O)c2cccc(C(N)=O)n2)[C@H](OC)C1 1082389181 AOJCETJFNHRBON-ZIAGYGMSSA-N 316.361 -0.367 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)[C@H]2CCc3nnn(C)c3C2)C1 1083729755 CWXYHFUSYLBHLS-LNSITVRQSA-N 319.409 -0.343 30 20 DBED C#CCN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CN(C(C)=O)CCO1 1085410971 WOWHBIHKBSYKDL-KFWWJZLASA-N 307.394 -0.116 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2C[C@@H](N[C@H](C)C(N)=O)C2)nn1 1086218924 CTSRXEHRJAHBIL-MXWKQRLJSA-N 306.370 -0.564 30 20 DBED C#CCCN1C[C@H]2CC[C@H]1[C@@H]1CN(C(=O)Cn3cnnn3)C[C@H]21 1087335092 GBBSSVZOAPCZLJ-TUVASFSCSA-N 314.393 -0.135 30 20 DBED CN1CC(=O)N(CC(=O)N2C[C@H]3CCN(CC#N)C[C@H]3C2)C1=O 1088193962 FWUUDRSTRDYICS-NEPJUHHUSA-N 319.365 -0.816 30 20 DBED C#CCN1CC[C@H](NC(=O)c2nnn(C(C)(C)C)n2)[C@H](O)C1 1090280428 TVXDLZVFCDTKBL-WDEREUQCSA-N 306.370 -0.774 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2cn3c(n2)COCC3)[C@H](O)C1 1090361070 OIHPUJZWYJYEFF-TZMCWYRMSA-N 318.377 -0.398 30 20 DBED CO[C@@H](C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1O)C1CC1 1090412646 CDCATCGXQMFCHI-JHJVBQTASA-N 317.349 -0.561 30 20 DBED CCc1cc(CC(=O)N[C@H]2CCN(CC#N)C[C@H]2O)n(C)n1 1090445952 ONEYRBCCIMUNAX-UONOGXRCSA-N 305.382 -0.400 30 20 DBED C#CCCN1CC[C@@H](NC(=O)C2CCN(C(N)=O)CC2)[C@H](O)C1 1090795899 LYQUTBGIMMTIAY-ZIAGYGMSSA-N 322.409 -0.648 30 20 DBED CC[C@@H](C(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@@H]1O)N(C)C 1091123491 UWAIQWRSGRBSPL-RDBSUJKOSA-N 317.393 -0.041 30 20 DBED CC(=O)N(C)CC(=O)NC1[C@@H]2CN(c3ccc(C#N)cn3)C[C@@H]12 1093218881 WZKQMXAGTMLSAP-CHWSQXEVSA-N 313.361 -0.018 30 20 DBED COC(=O)c1cnc(N2C[C@H]3C(NC(=O)[C@@H](C)C#N)[C@@H]3C2)nc1 1093235200 JOZHHZDNJZNLLU-JMJZKYOTSA-N 315.333 -0.026 30 20 DBED CC(=O)N1CCO[C@@H](C(=O)NCCNc2ccc(C#N)nn2)C1 1093798831 CZAJVFHFBFZGQH-GFCCVEGCSA-N 318.337 -0.876 30 20 DBED C=CCN1CCN(C(=O)Cn2cccn2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094608114 UYPIIXABESGRJE-QWHCGFSZSA-N 324.406 -0.621 30 20 DBED C=CCCN1CC(N2C[C@@H](NC(=O)c3cnnn3C)CC2=O)C1 1094734443 ZDKVMHZDGQXJAB-NSHDSACASA-N 318.381 -0.594 30 20 DBED COC(=O)NCC(=O)N1CC[C@H](N(C)c2ccc(C#N)nn2)C1 1095092682 GHMKJPVEUFMYHA-NSHDSACASA-N 318.337 -0.259 30 20 DBED CN1CCO[C@H](C(=O)NCCCN(C)c2cncc(C#N)n2)C1 1095521809 SVZUYYAWIMSLHP-ZDUSSCGKSA-N 318.381 -0.379 30 20 DBED CCN(CCCNC(=O)C1(C(N)=O)CC1)c1nccnc1C#N 1095955039 RFHBLKOUFIMKEX-UHFFFAOYSA-N 316.365 -0.054 30 20 DBED N#Cc1cnc(N2CCC[C@@H](NC(=O)CCNC(N)=O)C2)cn1 1096180657 KUXHTVKXFSNSJF-SNVBAGLBSA-N 317.353 -0.508 30 20 DBED N#Cc1ccc(N[C@H](CNC(=O)CCNC(N)=O)C2CC2)nn1 1096669744 WPNBPCBGEKZUJS-LLVKDONJSA-N 317.353 -0.287 30 20 DBED CNS(=O)(=O)CC(=O)N[C@H]1C[C@H](Nc2ccc(C#N)cn2)C1 1097031916 BOIPSZGRIBTLOP-XYPYZODXSA-N 323.378 -0.438 30 20 DBED C[C@H](CC(N)=O)C(=O)N[C@H]1C[C@H](N=c2cc[nH]c(C#N)n2)C1 1097086023 DQOFNDCPVZMTOG-OPRDCNLKSA-N 302.338 -0.659 30 20 DBED C=CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1CCN(C)C(=O)C1 1097375648 UDQRUHXVQUVUAX-MCIONIFRSA-N 306.410 -0.332 30 20 DBED CNC(=O)CC(=O)NC[C@@H]1CCCCN1c1cnc(C#N)cn1 1097421716 SLEGQHNLJXORNC-LBPRGKRZSA-N 316.365 -0.041 30 20 DBED C=CCCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1CC(=O)NC1=O 1098055550 GSICOXILXOSYDA-UTUOFQBUSA-N 306.366 -0.164 30 20 DBED Cc1nsc(N[C@H](C)CNC(=O)[C@H]2CNC(=O)N2)c1C#N 1098251626 XCRJZEHSYPUIFZ-HZGVNTEJSA-N 308.367 -0.079 30 20 DBED CC#CCN(CCO)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1098366277 ZDAYCVOPYNHPDY-ZIAGYGMSSA-N 309.366 -0.040 30 20 DBED C#CCNCc1cn([C@H]2CCN(C(=O)Cn3nccn3)C2)nn1 1098678645 LAFVPMVBCUGPMY-ZDUSSCGKSA-N 314.353 -0.934 30 20 DBED C#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 1099167932 ZHJRXUQARZJBLP-OBJOEFQTSA-N 311.407 -0.718 30 20 DBED C#CCN[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1C(F)(F)F 1099251761 YAQFANLEVVOYOZ-RKDXNWHRSA-N 302.260 -0.715 30 20 DBED CC(C)=C(F)C(=O)N[C@H]1CCN(CC(=O)NCC#N)C[C@@H]1O 1099766792 QHAUDGFVAHNHKH-QWRGUYRKSA-N 312.345 -0.559 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2ccc(C)nn2)[C@@H](O)C1 1099813627 RSLNGXKPNRJVSH-HIFRSBDPSA-N 318.377 -0.400 30 20 DBED C=CCN1CC[C@@H](NC(=O)CS(=O)(=O)CC(C)C)[C@H](O)C1 1099895568 YKJHFJSWXLVRIU-CHWSQXEVSA-N 318.439 -0.205 30 20 DBED CC(=O)N1CCC[C@@H]1C(=O)NCCN(C)c1cncc(C#N)n1 1100155224 AGZSWPKPERJBDE-CYBMUJFWSA-N 316.365 -0.088 30 20 DBED CNC(=O)CC(=O)NC[C@@H]1CCCN1c1ccc(C#N)nn1 1100815735 HGEDHPCSYVWIBP-NSHDSACASA-N 302.338 -0.431 30 20 DBED C[C@H](CNc1cnc(C#N)cn1)N(C)C(=O)[C@@H]1CCC(=O)N1 1104642693 LUJUIJILQUVJMZ-KOLCDFICSA-N 302.338 -0.114 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)CCc1cnn[nH]1 1104817561 LNWUXBRZWWVDBN-SNVBAGLBSA-N 314.353 -0.220 30 20 DBED CNC(=O)NCCC(=O)N(C)CCN(C)c1cnc(C#N)cn1 1105383479 OHCMFKJHYVFZIG-UHFFFAOYSA-N 319.369 -0.438 30 20 DBED CC(=O)NCC(=O)N[C@H]1CCC[C@H]1CN=c1cc[nH]c(C#N)n1 1105644206 KRHRSHXLCFSOMK-RYUDHWBXSA-N 316.365 -0.397 30 20 DBED Cc1nn(C)cc1C(=O)NC[C@@H](O)CNc1ccc(C#N)nn1 1105761716 APJHCGDDBLAHFT-NSHDSACASA-N 315.337 -0.407 30 20 DBED CN1CC[C@H](CC(=O)NC[C@@H](O)CNc2cnc(C#N)cn2)C1 1105913528 DZDOEDFENPEYBX-YPMHNXCESA-N 318.381 -0.421 30 20 DBED COC[C@H](C)CC(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1 1105941159 RVEFXWZEOKFVCE-MNOVXSKESA-N 307.354 -0.668 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](O)CNC(=O)[C@@H]2[C@H]3COC[C@H]32)n1 1106063310 YQEYBBJRORCECZ-WUHRBBMRSA-N 317.349 -0.562 30 20 DBED N#Cc1cnc(NC/C=C\CNC(=O)CNC(=O)C2CC2)cn1 1107060188 FFORZQNBVNURJD-UPHRSURJSA-N 314.349 -0.041 30 20 DBED CN1C[C@H](C(=O)NC/C=C/CNc2cnc(C#N)cn2)CC1=O 1107569031 VDNRUIFZTKKXCF-KXMPLOMGSA-N 314.349 -0.089 30 20 DBED CNS(=O)(=O)CC(=O)N[C@H](C)CNc1ncccc1C#N 1107781682 QLXSOJVAJPYDFW-SECBINFHSA-N 311.367 -0.581 30 20 DBED C#CCCN1CCO[C@@](C)(CNC(=O)CS(C)(=O)=O)C1 1107786520 ZUZHIHFHXVFDQS-ZDUSSCGKSA-N 302.396 -0.739 30 20 DBED COCC#CCN1CCO[C@](C)(CNC(=O)c2cnn[nH]2)C1 1108044926 XGCCGAAXASKLTC-CQSZACIVSA-N 307.354 -0.725 30 20 DBED C[C@@H](CN=c1cc[nH]cc1C#N)NC(=O)CNC(=O)C1CC1 1108264266 CDJQSWAHZFTTIP-JTQLQIEISA-N 301.350 -0.182 30 20 DBED Cc1cc(NC(=O)C(=O)NC[C@]2(C)CN(CC#N)CCO2)no1 1108395765 UXFUBIJUCYHWOJ-CQSZACIVSA-N 321.337 -0.348 30 20 DBED C#CCCN1CC(N2C[C@@H](NC(=O)COCC3CC3)CC2=O)C1 1108513829 SDOAKOADBPWFKG-AWEZNQCLSA-N 319.405 -0.162 30 20 DBED C=CCCN1CC(N2C[C@H](NC(=O)CC(=O)NCC)CC2=O)C1 1108538959 RKLXERIQLPGMHH-GFCCVEGCSA-N 322.409 -0.510 30 20 DBED CO[C@@H](C)CN1CC(N2C[C@H](NC(=O)C#CC3CC3)CC2=O)C1 1108545485 WWNLNIKIDIUAJL-GXTWGEPZSA-N 319.405 -0.164 30 20 DBED C[C@@H](CN(C)c1cnc(C#N)cn1)NC(=O)[C@@H]1CCCNC1=O 1109128944 WXJQABHDXRMYQD-CMPLNLGQSA-N 316.365 -0.185 30 20 DBED CN(CCCN=c1cc[nH]c(C#N)n1)C(=O)c1cnnn1C 1109424656 OIVMCXILLGILHI-UHFFFAOYSA-N 300.326 -0.527 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H]1CCCNC1=O 1109427310 ZBULRPWKTCDECR-KBXIAJHMSA-N 319.405 -0.116 30 20 DBED C[C@@]1(NC(=O)Cn2ncnn2)CCN(c2ccc(C#N)nn2)C1 1110786478 VMYCGIWKHZTHHF-CYBMUJFWSA-N 313.325 -0.880 30 20 DBED CC(=O)NCC(=O)N1C[C@H](C)[C@H](Nc2cncc(C#N)n2)C1 1112295489 LUIJMGGAZIDLNZ-JOYOIKCWSA-N 302.338 -0.257 30 20 DBED C=CCCO[C@@H](C)C(=O)N1CCN([C@H]2CCC(=O)NC2=O)CC1 1112676598 QXRRBHBPROWRFT-STQMWFEESA-N 323.393 -0.083 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](CNC(=O)C#CC3CC3)C2)nn1 1112719367 AEUXFMQKSJYCHJ-OCCSQVGLSA-N 311.345 -0.325 30 20 DBED COCC#CCN1CCN(C(=O)[C@@H](NC(N)=O)C(C)(C)C)CC1 1113541949 JFWMWLHBPSTVRU-CYBMUJFWSA-N 324.425 -0.137 30 20 DBED Cc1cc(C(=O)NC2[C@H]3CN(CC(=O)NCC#N)C[C@H]23)on1 1113853242 YPGMQAMUATVICY-UWVGGRQHSA-N 303.322 -0.717 30 20 DBED C#CCO[C@H](C)C(=O)NC1[C@H]2CN(CC(=O)N3CCCC3)C[C@H]12 1114262376 CMHWSTWJXLVTCF-RDBSUJKOSA-N 319.405 -0.307 30 20 DBED C#CCO[C@H](C)C(=O)NC1[C@@H]2CN(CCNC(=O)C3CC3)C[C@@H]12 1114273508 NUVGDNKWGQUWLX-MRVWCRGKSA-N 319.405 -0.403 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)C[C@H]3CCC(=O)N3C)[C@@H]2C1 1114663800 WWLUXJIQOKUTDX-MGPQQGTHSA-N 319.405 -0.307 30 20 DBED C=CCCCN1C[C@H]2C(NC(=O)[C@H]3CCS(=O)(=O)N3)[C@@H]2C1 1115247520 GAQCMEFPDCBWHM-IJLUTSLNSA-N 313.423 -0.309 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)CNC(=O)C3CCC3)[C@H]2C1 1115295839 GMRCXJZLYIGMJQ-FOLVSLTJSA-N 319.405 -0.401 30 20 DBED C#CCOCCNC(=O)NCCN/C(O)=C1\N=CC=CC1=O 1116552299 UGPJWGFRXLDVMP-OUKQBFOZSA-N 306.322 -0.538 30 20 DBED O=C(NCCN/C(O)=C1/N=CC=CC1=O)N[C@H](CO)CC1CC1 1116825566 ILSRHCVICPQMCQ-IVPXEPLCSA-N 322.365 -0.027 30 20 DBED CSCC[C@H](NC(N)=O)C(=O)N[C@@H]1CCCN(O)C1=O 1118934695 YSAWRBYMXPEPBE-JGVFFNPUSA-N 304.372 -0.727 30 20 DBED C[C@@H](CN(C)C(=O)[C@H](C)CC(N)=O)N=c1cc[nH]c(C#N)n1 1120399169 KAYKXSRBPGJZLU-ZJUUUORDSA-N 304.354 -0.460 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H](CO)N=c1cc[nH]cc1C#N 1122037513 XJEBROIZDCEGRZ-WCQYABFASA-N 302.334 -0.698 30 20 DBED COCC1(C(=O)NC[C@@H](CO)N=c2cc[nH]c(C#N)n2)CC1 1122245647 FNFQBAQNCARNQJ-JTQLQIEISA-N 305.338 -0.914 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H](CO)CNC(=O)COCC(F)F 1122256942 YYMJJZXSVQTAFL-SNVBAGLBSA-N 314.292 -0.454 30 20 DBED Cc1cnn(C)c1C(=O)NC[C@@H](CO)N=c1cc[nH]cc1C#N 1122342619 PYIDWTZMDMFWMZ-LBPRGKRZSA-N 314.349 -0.380 30 20 DBED CCc1n[nH]cc1C(=O)NC[C@H](CO)Nc1cnc(C#N)cn1 1122830377 UOHQDEOEYFCHDI-SNVBAGLBSA-N 315.337 -0.163 30 20 DBED C=C(C)CN(CC)C(=O)CNCCNC(=O)c1cnn(C)c1N 1126099250 JRNBFRKLRSQRPC-UHFFFAOYSA-N 322.413 -0.254 30 20 DBED C#CCCCC(=O)NCCNCC(=O)NC(=O)NCC(C)C 1126343621 CHPUXICNAHFNIQ-UHFFFAOYSA-N 310.398 -0.023 30 20 DBED C#CCNC(=O)CNCCNC(=O)Cc1n[nH]c2c1CCCC2 1127317569 RBRRRJHSKWCEKE-UHFFFAOYSA-N 317.393 -0.714 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1nc(C)c(C)nc1O 1130127038 RHGYNHSANDZAHK-LLVKDONJSA-N 319.365 -0.744 30 20 DBED CN(C)C(=O)CC(=O)N1C[C@@H](NCC#N)[C@H](c2cn(C)cn2)C1 1130689742 IVCSEXQDHYFZLP-WCQYABFASA-N 318.381 -0.694 30 20 DBED CC#CCN1CCOC[C@H]1c1n[nH]c(CNC(=O)CCOC)n1 1130820079 NBUFFYGYSDIGAY-LBPRGKRZSA-N 321.381 -0.146 30 20 DBED CC[C@@H](NC(C)=O)C(=O)N1C[C@H]2C[C@@H]3CN(CC#N)C[C@]2(C1)O3 1131274236 SBROZUURUBUXDB-IXYNUQLISA-N 320.393 -0.274 30 20 DBED CNC(=O)NCC(=O)N1C[C@H](C)O[C@@]2(CCN(CC#N)C2)C1 1131666472 PHDSWEOLYPHYMD-SMDDNHRTSA-N 309.370 -0.869 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@H]1CCc2ccccc2O1 1135516330 NYQGXOLVIKVMKI-OAHLLOKOSA-N 315.373 -0.165 30 20 DBED CCN(CC)CC(=O)N[C@@H](C)C[C@@H](C)NCC(=O)NCC#N 1135742932 BAMBWXRSXYGWHC-OLZOCXBDSA-N 311.430 -0.159 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)CCCCC(N)=O 1135889965 CFVRZVZYPIQQTE-QWHCGFSZSA-N 324.425 -0.346 30 20 DBED CC#CCN[C@H](C)C[C@@H](C)NC(=O)CN1CC(=O)N(C)C1=O 1135919292 ATXYYEGYNGULQI-VXGBXAGGSA-N 308.382 -0.223 30 20 DBED C#CCN1CCC(C(=O)N[C@@H](C)C[C@H](C)NCC(N)=O)CC1 1146585475 YFUGMYPRQLGUTH-STQMWFEESA-N 308.426 -0.310 30 20 DBED N#CCNC(=O)CN1CCC2(C1)CN(C(=O)C1=COCCO1)C2 1146929402 TXMLQHKHHOKHHQ-UHFFFAOYSA-N 320.349 -0.951 30 20 DBED CCC[C@@H](C(=O)N1CC2(CCN(CC#N)C2)C1)S(N)(=O)=O 1147987135 YXQYPMZSOYQCSD-NSHDSACASA-N 314.411 -0.499 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(Cc2nnnn2C)CCCO1 1149330255 GDLFUUCZVGURMS-GFCCVEGCSA-N 308.386 -0.117 30 20 DBED CNC(=O)C1(C(=O)NC[C@H]2CN(CC#N)CCCO2)CCC1 1150626905 ZTLHLABOXAMYDS-LBPRGKRZSA-N 308.382 -0.367 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)CCc1cn(C)nn1 1153771245 WUVJHWCRCXOQRA-LLVKDONJSA-N 308.386 -0.856 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCCNC[C@H](O)Cn1cccn1 1157201979 OKAMIKJCDSBTCG-DZGCQCFKSA-N 310.398 -0.333 30 20 DBED CN(CC#N)C[C@H]1CCCCN1C(=O)CS(=O)(=O)N(C)C 1158818614 KOSFAVMRPKCIEQ-GFCCVEGCSA-N 316.427 -0.286 30 20 DBED C=CCNC(=O)CNCCCNC(=O)C[C@@H]1CCC(=O)N1C 1163795551 DDUUKNLJIHMDMA-LBPRGKRZSA-N 310.398 -0.605 30 20 DBED C=CCNC(=O)CNCCCNC(=O)c1cn(C(C)C)nn1 1169551719 HRYSVCFLAZFYEL-UHFFFAOYSA-N 308.386 -0.129 30 20 DBED N#CCNC(=O)CNCCCNC(=O)c1n[nH]c2ccccc12 1175091121 DKEYUCRJDBVZJZ-UHFFFAOYSA-N 314.349 -0.088 30 20 DBED N#CCNC(=O)CN1CCO[C@@H]2CCN(C(=O)C3CCC3)C[C@@H]21 1176881407 DPVUFQMQGAWBMW-UONOGXRCSA-N 320.393 -0.272 30 20 DBED CCCC(=O)N1CC[C@@H]2OCCN(CC(=O)NCC#N)[C@H]2C1 1176882105 LBRKYAKNCLJARX-STQMWFEESA-N 308.382 -0.272 30 20 DBED N#CCSCC(=O)N1CC[C@H]2OCCN(CC(N)=O)[C@@H]2C1 1176929769 MEIZFLYCXKXRND-GHMZBOCLSA-N 312.395 -0.970 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)NCCCNC[C@@H](C)O 1176966881 PGKKIQFFALHSFJ-LLVKDONJSA-N 300.403 -0.273 30 20 DBED C#CCNC(=O)CNCCCNC(=O)CCNC(=O)CC(C)C 1177451522 MFTLHPZWSICYJC-UHFFFAOYSA-N 324.425 -0.616 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H](CNCC(N)=O)[C@H](C)C2)nn1 1185259168 CJOZMKJVSGHFCB-VXGBXAGGSA-N 320.397 -0.363 30 20 DBED C#CCNC[C@@H]1CN(C(=O)CNC(=O)CC)CC12CCOCC2 1186310587 NCQQKZNHLAGJSJ-CQSZACIVSA-N 321.421 -0.009 30 20 DBED CCc1nc(C)c(C(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)o1 1186799909 TVQWGIVUVNEUPB-LLVKDONJSA-N 319.365 -0.011 30 20 DBED C=CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3cnsn3)[C@@H]2C1 1187063329 QXYSFSDXPWTJCA-CMPLNLGQSA-N 321.406 -0.013 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)C23CCN(CC2)C3)C1 1187127552 XUVXIPNUHNZPMD-UONOGXRCSA-N 320.437 -0.037 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)CCCCC(=O)NC)C1 1188273232 PHCWMVNYPBQARZ-CYBMUJFWSA-N 324.425 -0.215 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)CNC(=O)C2CC2)C1 1191315141 WRZJDDQGVOIGQF-GHMZBOCLSA-N 301.774 -0.574 30 20 DBED C=CCn1cc(C(=O)N2CC[C@@H](N(C)CC(=O)NC)C2)nn1 1192723714 NMBCJKVJVWSSPV-LLVKDONJSA-N 306.370 -0.644 30 20 DBED C[C@H](C(=O)NC1CC1)N1C[C@@H](O)[C@H](NC(=O)C#CC(C)(C)C)C1 1192813519 KLUBBQWREAANDH-MRVWCRGKSA-N 321.421 -0.136 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)CCc2cc(OC)no2)C1 1193362468 SYTHIPAQKUIUGE-CHWSQXEVSA-N 307.350 -0.200 30 20 DBED CC#CCN1CCCN(C(=O)[C@H](C)NS(=O)(=O)CC)CC1 1195925540 CESPRAUOFOBTKV-ZDUSSCGKSA-N 315.439 -0.128 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)CCCCCNC(C)=O)C1 1198393539 WMSSICXBFJQMCQ-HUUCEWRRSA-N 309.410 -0.133 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC(NCC(=O)NC(=O)NC)CC1 1200531427 CPQTYCTXIAUQGV-LLVKDONJSA-N 324.381 -0.939 30 20 DBED CNC(=O)NC(C)(C)C(=O)N1CCCO[C@H](CNCC#N)C1 1202141424 OILJVBQVDYMCTH-LLVKDONJSA-N 311.386 -0.575 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1C 1206620644 WGEPMIJOLMBILP-VXGBXAGGSA-N 319.427 -0.825 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 1206875339 HIZFZNWDSRQWPP-ZWNOBZJWSA-N 314.349 -0.424 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC[C@@H](NCC(=O)NC2CC2)C1 1208017983 IIJDOGBYNVEDCE-TZMCWYRMSA-N 307.394 -0.116 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)Cc1cnoc1 1208399065 OKEHUCRJRAYSLL-ZYHUDNBSSA-N 305.338 -0.707 30 20 DBED C=C(C)CN[C@H]1CCCN(C(=O)CNS(=O)(=O)NC)C1 1208758631 MEMHUPNFTCOKSS-NSHDSACASA-N 304.416 -0.803 30 20 DBED C#CCCN[C@@H]1CCCN(C(=O)C2CC3(C2)NC(=O)NC3=O)C1 1210060167 CGZJHVHVEBZFKL-BWBHSNQOSA-N 318.377 -0.422 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)CN(C)CCC)C1 1210789386 OIZPVFLDFDZAEE-CQSZACIVSA-N 308.426 -0.342 30 20 DBED CO[C@@H]1CN(CCc2ccnn2C)C[C@H]1NC(=O)[C@@H](C)C#N 1212041636 WLZSXOCRKZJRTO-IACUBPJLSA-N 305.382 -0.062 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)c2cccnn2)[C@H](OC)C1 1213606109 HCDQLZTWQKCSPP-CHWSQXEVSA-N 319.365 -0.792 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2COCCO2)C[C@H]1C 1214167804 SAEBUXFFCWBXGI-UPJWGTAASA-N 311.382 -0.860 30 20 DBED C[C@@H]1CN(C(=O)[C@H]2CCCCO2)C[C@H]1NCC(=O)NCC#N 1214441111 BCRHYLTYHDAQOA-JHJVBQTASA-N 308.382 -0.368 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2cncnc2)C[C@H]1C 1214493281 FWFOOVYZJNYEEL-YRGRVCCFSA-N 315.377 -0.335 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)C(C)(C)NC(C)=O)C[C@H]1C 1215949510 YOBDVTDVWZQJCA-DGCLKSJQSA-N 322.409 -0.913 30 20 DBED C=CCOCC(=O)N1CCO[C@@H]2CN([C@@H](C)C(=O)NC)C[C@@H]21 1217538326 SDOYAPYRICLPPP-RWMBFGLXSA-N 311.382 -0.765 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CNC(=O)C1CCCC1 1217959708 OQAQYBDJVLNBSV-UONOGXRCSA-N 320.393 -0.272 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)c2cncs2)C1 1219271490 VQXYJRBBGIVCMV-MXWKQRLJSA-N 324.406 -0.391 30 20 DBED COc1cc(CN2C[C@H](O)[C@H](NC(=O)[C@@H](C)C#N)C2)sn1 1219378706 CNNULPLREJEATL-GDPRMGEGSA-N 310.379 -0.027 30 20 DBED C=C(Cl)C(C)(C)C(=O)N[C@@H]1CN([C@H](C)C(N)=O)C[C@@H]1O 1219702609 VYYYYKPLLVXTGB-QNSHHTMESA-N 303.790 -0.200 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)CCc2cnccn2)C1 1220692218 LTVVTOGJNAXPCM-CABCVRRESA-N 320.393 -0.227 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@](C)(NC(C)=O)C2CC2)C1 1220744433 JLSLGBYSYYZJPG-IJEWVQPXSA-N 307.394 -0.524 30 20 DBED C=CCNC(=O)CN1CC[C@@H]2CN(C(=O)[C@@H]3CCN(C)C3)[C@@H]2C1 1222013905 NYUKHEDUIZRJNN-RBSFLKMASA-N 320.437 -0.227 30 20 DBED C=CCN1CCC(CNC(=O)CC[C@H]2NC(=O)NC2=O)CC1 1225372623 UHLRFHBTJIPXRP-GFCCVEGCSA-N 308.382 -0.011 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)[C@@H](C)n2cccn2)CC1 1226128787 PQTJZXJUXURIRE-CYBMUJFWSA-N 317.393 -0.226 30 20 DBED CC[C@H](C(=O)NC1CCN(CC(=O)NCC#N)CC1)N(C)C 1227979162 ANKZXYGXTZGWLZ-CYBMUJFWSA-N 309.414 -0.453 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)C2(COC)CC2)CC1 1228284868 DWLLZTFVSWROQF-UHFFFAOYSA-N 307.394 -0.257 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)c1cn(C)nc1C 1231255627 ORAZRGQQHNNOMH-CYBMUJFWSA-N 317.393 -0.376 30 20 DBED C[C@@H](C#N)C(=O)N(C)C[C@H]1CCN1CCN(C)S(C)(=O)=O 1231294626 ZHJFBZCLJXFFET-NWDGAFQWSA-N 316.427 -0.430 30 20 DBED C=C(C)CN1CC[C@H]1CN(C)C(=O)Cn1cnc(C(N)=O)n1 1234402259 JVWNKTSKZDQJCM-NSHDSACASA-N 306.370 -0.514 30 20 DBED C[C@@H](CNC(=O)C(=O)N1CCO[C@H](C#N)C1)N1CCCCC1 1321736708 XGFUFOHYSGVPRH-QWHCGFSZSA-N 308.382 -0.272 30 20 DBED C[C@@H](C#N)OCCOC(=O)CCn1cc(S(N)(=O)=O)cn1 1321766807 WJOGSEZGDZLCEZ-VIFPVBQESA-N 316.339 -0.608 30 20 DBED C=CCN(CC=C)C(=O)C(=O)NCc1nnnn1CC1CC1 1323819483 ARTXOVIEXAJWSW-UHFFFAOYSA-N 304.354 -0.100 30 20 DBED N#Cc1ccc(NC(=O)C(=O)N2CCN3C(=O)CC[C@@H]3C2)nc1 1324952884 OQIQWLXYUXFGIU-LLVKDONJSA-N 313.317 -0.275 30 20 DBED C=CCn1cc(C(=O)N2CCC[C@@]3(C2)NC(=O)NC3=O)nn1 1326358361 JIPKNEOUIQWBBH-ZDUSSCGKSA-N 304.310 -0.722 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)C(=O)NCCOCC(F)(F)F)C1 1329315749 SSGKHVTUJJVDOD-LLVKDONJSA-N 323.271 -0.441 30 20 DBED C[C@@H]1C[C@H](O)CN(C(=O)C(=O)N2CCN(CCC#N)CC2)C1 1329436321 MSTOZUYBCONHHZ-OLZOCXBDSA-N 308.382 -0.726 30 20 DBED N#C[C@]1(F)CCN(C(=O)C(=O)N2CC[C@@H]3NC(=O)CC[C@H]3C2)C1 1329703041 IXPFYCVVAHDMSA-ZIBATOQPSA-N 322.340 -0.422 30 20 DBED CC(C)(C)OC(=O)N[C@H](C(=O)NCC#CCO)C(C)(C)O 1329906243 VGXNDTYTJKQWDZ-SNVBAGLBSA-N 300.355 -0.238 30 20 DBED C=CCC1(O)CCN(C(=O)C(=O)N2CCN(C)C[C@@H]2CN)CC1 1331233757 KSIWHASHXUFDNG-ZDUSSCGKSA-N 324.425 -0.983 30 20 DBED C[C@@H]1CCN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)C[C@@H]1CO 1334713141 QVNWDGCVPMSBTR-LALPHHSUSA-N 309.366 -0.660 30 20 DBED C=C(C)CCn1nnnc1N1CCN(S(C)(=O)=O)CC1 1336008474 GAJYZVCPGOPQJX-UHFFFAOYSA-N 300.388 -0.279 30 20 DBED C#CCOCCNC(=O)C(=O)N[C@H](C)CN1CCC[C@H](C)C1 1342425431 FVSDBJBXZXLPSF-UONOGXRCSA-N 309.410 -0.011 30 20 DBED CN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(C#N)cn2)C1=O 1343925714 FIXYLVMIXDYSAA-SNVBAGLBSA-N 301.306 -0.419 30 20 DBED CN(C[C@H](O)CN1CCOCC1)C(=O)c1ccc(C#N)n1C 1362209635 RFWCYOLDOKRMRY-ZDUSSCGKSA-N 306.366 -0.338 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(CCNC(=O)[C@@H]2CCOC2)CC1 1385549629 QHRXNQGLHKDPSG-QWHCGFSZSA-N 308.382 -0.557 30 20 DBED CC(=O)N1CC(C(=O)NC[C@@H](NC(=O)[C@@H](C)C#N)C2CC2)C1 1407600884 BYFORACYWMNEBP-TVQRCGJNSA-N 306.366 -0.365 30 20 DBED C[C@H](C#N)C(=O)N(C)CCN(C)C(=O)[C@@H](C)NS(C)(=O)=O 1410009823 STGVSDIQKBIAGA-NXEZZACHSA-N 318.399 -0.999 30 20 DBED N#Cc1cc(F)ccc1CS(=O)(=O)NCCn1ncnn1 1413311406 WFDSKWRRIHSZQI-UHFFFAOYSA-N 310.314 -0.197 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CCN(C(=O)CCCC(N)=O)C2)c1 1414555911 XQFPDPGXJCXAHT-LLVKDONJSA-N 317.349 -0.127 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CCN(C(=O)c2ccc(C(N)=O)cn2)C1 1429528806 DJSMGMDMKWZCFO-GXSJLCMTSA-N 315.333 -0.329 30 20 DBED CCNC(=O)NC(=O)CNC1(CNC(=O)[C@@H](C)C#N)CCC1 1447181050 HYPDSSCZEABWNH-JTQLQIEISA-N 309.370 -0.380 30 20 DBED N#Cc1ncn(CCNC(=O)N[C@H]2CCCN(CCCO)C2)n1 1470105917 ZFNBJWBZCJUZMQ-LBPRGKRZSA-N 321.385 -0.704 30 20 DBED COCC#CCN[C@@H](C)CCNC(=O)CN1C(=O)CCC1=O 1485002160 OFVNQSXLPXPYTK-LBPRGKRZSA-N 309.366 -0.730 30 20 DBED CCOc1cc(C(=O)N(C)C[C@@H](O)CNC(=O)[C@H](C)C#N)[nH]n1 1488374045 YYWNDPJPGDMRQH-ZJUUUORDSA-N 323.353 -0.483 30 20 DBED COC(=O)NCC(=O)N1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 1490990736 SLOMWSQMTLPQCL-UHFFFAOYSA-N 319.321 -0.473 30 20 DBED CCCN(CCNC(=O)[C@H](C)C#N)[C@@H](C)C(=O)NC(=O)NC 1493279942 KBWMOPNTYGDDNW-MNOVXSKESA-N 311.386 -0.182 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNCc1nc(C(C)(C)C)n[nH]1 1496955660 SBIZXVYOFWXOKK-VHSXEESVSA-N 308.386 -0.171 30 20 DBED C=CCCOCC(=O)N(C)Cc1nnc2n1CCN(C)C2=O 1521951489 VDYJLTYGUDOFAM-UHFFFAOYSA-N 307.354 -0.085 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C[C@H](C)N=c1cc[nH]c(C(=O)O)n1 1573311336 MPTHMKUXZBFCCF-WDEREUQCSA-N 320.349 -0.106 30 20 DBED CO[C@@H](C(=O)O)C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N 1574105263 OASCHPXZRDWGMF-MRVPVSSYSA-N 309.282 -0.844 30 20 DBED C[C@H]1CC[C@H](C(N)=O)CN1c1cnc(-c2nn[nH]n2)c(C#N)n1 1576100061 IXDLXDNJSIHSLA-YUMQZZPRSA-N 313.325 -0.381 30 20 DBED C=C[C@H](C(=O)O)N1CCN([C@H](C)C(=O)NCCCOC)CC1 1588669717 NZELQHAWSPPHDQ-CHWSQXEVSA-N 313.398 -0.216 30 20 DBED O=C(Nc1ccnc(-c2nn[nH]n2)c1)N[C@H]1CCCN(O)C1=O 1593256128 NMVZVOGCLIAMRB-QMMMGPOBSA-N 318.297 -0.237 30 20 DBED N#Cc1cn(C2CN(C(=O)C3(C(=O)O)CC3)C2)c(=O)nc1O 1601129385 AXNWYHPTPXVCDZ-UHFFFAOYSA-N 304.262 -0.931 30 20 DBED C=CC[C@@H](C)NC(=O)Cn1cc(-c2nn[nH]n2)c(O)nc1=O 1602812000 UXROXBNGUKZDBS-SSDOTTSWSA-N 305.298 -0.790 30 20 DBED C#CC[C@@H](NC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)C(=O)O 1609076696 UZLYQYXCJJSKIZ-RKDXNWHRSA-N 304.368 -0.457 30 20 DBED N#Cc1c(-c2nn[nH]n2)nc(N)n1CC(=O)NCC(F)(F)F 1609496484 ORWPBQAPUUQVGF-UHFFFAOYSA-N 315.219 -0.804 30 20 DBED COC(=O)[C@@H](CO)NC(=O)CCc1c(C)nn(CCC#N)c1C 1647211457 CHQZQSQIVLFISE-CYBMUJFWSA-N 322.365 -0.004 30 20 DBED C#CCCN1CCCC[C@@H]1CNC(=O)C[C@@H]1NC(=O)NC1=O 1752820932 IDPDDUFJTLKGCU-NEPJUHHUSA-N 306.366 -0.422 30 20 DBED C=CCNC(=O)CN[C@@H](C)CNC(=O)[C@@H]1CCc2c[nH]nc2C1 1752919865 MTZFMLZWTSJHOE-NWDGAFQWSA-N 319.409 -0.089 30 20 DBED COCC#CCN1CCC[C@@H]1CNC(=O)CCn1cncn1 1753097767 AUCFAJQFSSCLBK-CQSZACIVSA-N 305.382 -0.101 30 20 DBED C#CCCNCC[C@@H](C)NC(=O)C1(n2cnnn2)CCOCC1 1754016575 NJFAKCWABWVSAX-CYBMUJFWSA-N 320.397 -0.314 30 20 DBED CNC(=O)NC(=O)[C@@H](C)NC[C@@H]1CCCN1C(=O)C#CC1CC1 1754610635 PVPIPZYCNXXNQL-YPMHNXCESA-N 320.393 -0.176 30 20 DBED C#CCN(C(=O)c1cccnn1)C1CCN(CC(N)=O)CC1 1754641653 IYFREZHHDZSDGY-UHFFFAOYSA-N 301.350 -0.498 30 20 DBED COC[C@H](O)CN1CC[C@](C)(NC(=O)CSCC#N)C1 1754665397 QCVMOPZQSXOUBF-YPMHNXCESA-N 301.412 -0.169 30 20 DBED CN1CCC[C@H](N2CC(O)(CNC(=O)C#CC(C)(C)C)C2)C1=O 1754767095 FGQQVWPBCOZHGH-ZDUSSCGKSA-N 321.421 -0.180 30 20 DBED C=CCNC[C@H]1CN(C(=O)CN2CCN(C)C(=O)C2)C[C@@H]1C 1754818301 IPJSRALMAWXFRG-KBPBESRZSA-N 308.426 -0.370 30 20 DBED CC(C)C[C@H](C(N)=O)C(=O)N1CCC[C@@](CO)(NCC#N)C1 1755092553 MZJUZTPPPRGCDD-IUODEOHRSA-N 310.398 -0.399 30 20 DBED C[C@@H](CCCNCC(=O)NCC#N)NC(=O)c1ccnnc1 1755517978 YWNLFLITKHWTQN-NSHDSACASA-N 304.354 -0.396 30 20 DBED C#CCNC[C@@H](C1CC1)N(C)C(=O)CCn1cc[nH]c(=O)c1=O 1755569158 IVJJDPCBVGMGIF-ZDUSSCGKSA-N 318.377 -0.614 30 20 DBED C#CCNC(=O)CN[C@@H](C)CN(C)C(=O)c1cc(CC)nn1C 1755610076 BBRWXWCPVWMNTL-LBPRGKRZSA-N 319.409 -0.218 30 20 DBED Cn1ncc(C(F)(F)F)c1C(=O)NC[C@H](CO)NCC#N 1755645928 XRBFJCPAWXGOBQ-SSDOTTSWSA-N 305.260 -0.357 30 20 DBED CCOc1cc(C(=O)N(C)C[C@H](O)CNCC#CCOC)[nH]n1 1755781769 JRKDCVXXQGASJT-GFCCVEGCSA-N 324.381 -0.519 30 20 DBED C=CC(C)(C)C(=O)N(C)C[C@H](O)CN[C@H]1CCC(=O)NC1=O 1755784730 BITNCJKDVCCXII-MNOVXSKESA-N 311.382 -0.587 30 20 DBED CN(CC#N)C[C@H](O)CN(C)C(=O)[C@@H]1CCn2cncc2C1 1755802511 WRBJSHIECBPTOP-OCCSQVGLSA-N 305.382 -0.280 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H](C1CC1)N(C)C(=O)c1cnn[nH]1 1756415075 BYEVKERLTPUYKL-ZWNOBZJWSA-N 319.365 -0.190 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](CO)CNC(=O)C#CC1CC1 1756519496 IWHZYOCRCWVMOZ-YCPHGPKFSA-N 320.389 -0.026 30 20 DBED C=C[C@@](C)(O)CC(=O)N(C)C[C@@H](O)CNC(=O)c1ccn(C)c1 1756660817 NDYHWLZBMVJBQA-XJKSGUPXSA-N 323.393 -0.099 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)[C@H](C)n2cccc2)C[C@H]1O 1756985892 UWCHCCYZPXMMMD-BFHYXJOUSA-N 321.377 -0.060 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)[C@H]2CC(=O)N(C)C2)C[C@H]1C 1757063804 FNYBLARJLXXALX-FRRDWIJNSA-N 323.393 -0.370 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@H]1CN(C)C(=O)Cn1cccn1 1757274692 YLUXQDFMZDDVBQ-KBPBESRZSA-N 318.377 -0.019 30 20 DBED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccncc3O)C2)C1 1779412820 JIGKYSIDOHJWHR-INIZCTEOSA-N 315.329 -0.136 30 20 DBED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnco3)[C@H]2C1 1784756262 QEZMAXHXSVZDCU-SRVKXCTJSA-N 303.318 -0.099 30 20 DBED CC(C)[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN)C2 1793382996 HSTOABBHJGPMQX-LYIQGSDWSA-N 315.439 -0.511 30 20 DBED Cn1cnc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CC#N)C3)c1 1794900282 KLKJYOGIZDLCBH-GNXNZQSNSA-N 317.349 -0.463 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(=O)cco1 1795001953 ZJPOAEFLAADZFI-QHBPRCKVSA-N 316.313 -0.524 30 20 DBED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800778511 DJRISKUHXATGNR-DRXBFXEBSA-N 318.329 -0.923 30 20 DBED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1=COCC1)CCO2 1840562627 DPXOTNAUZQHADV-MRXNPFEDSA-N 320.345 -0.620 30 20 DBED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)[C@H](C)NC=O)C1 1845176914 XPFYTJZCLBBZRM-QWHCGFSZSA-N 321.377 -0.637 30 20 DBED C#CCNS(=O)(=O)c1cccc(C(=O)N(C)CC(=O)NC)c1 53370529 YXLQMDASZPULQH-UHFFFAOYSA-N 323.374 -0.584 30 20 DBED C#CCN(CC(=O)O)C(=O)Nc1cccc(S(N)(=O)=O)c1 92483122 DADLQHWWJGHXKY-UHFFFAOYSA-N 311.319 -0.114 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1CCN(C[C@@H](C)O)[C@@H](C)C1 105823744 VQZOMGCWWMLRGW-XQQFMLRXSA-N 312.414 -0.226 30 20 DBED C=CCCNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 143744717 MZWVUKRADPEBSB-IDTAVKCVSA-N 321.337 -0.574 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCC[C@@H]2CN)C1=O 262648302 WEYQNHZOCOXMJL-NXEZZACHSA-N 308.338 -0.793 30 20 DBED N#Cc1ccc(N2CCN(CC(=O)N3CCOCC3)CC2)cn1 267429016 WEOKHRDYPBWWPV-UHFFFAOYSA-N 315.377 -0.066 30 20 DBED CCC(=O)N1CC[C@H](Nc2c(C#N)c(=O)n(C)c(=O)n2C)C1 268523136 GENGGCISAIDNME-VIFPVBQESA-N 305.338 -0.622 30 20 DBED C=CCS(=O)(=O)CCNC(=O)NC[C@@H](O)C(F)(F)F 272827367 JNZLVVUFESOXLE-SSDOTTSWSA-N 304.290 -0.190 30 20 DBED C=CCN1CC[C@@H](N(C)S(=O)(=O)N(C)CCOC)C1=O 281678367 YEFGUHZVIIFPNI-LLVKDONJSA-N 305.400 -0.472 30 20 DBED CO/N=C/C(=O)N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 289272189 FFUQUMRSSRFNBE-SWEABUAFSA-N 304.350 -0.011 30 20 DBED COC(=O)C[C@H]1C(=O)NCCN1CC(=O)N[C@@](C)(C#N)C(C)C 299269253 IAUCUGKVTBCLCS-NHYWBVRUSA-N 324.381 -0.596 30 20 DBED CN/C(=N\CC(=O)Nc1cccnc1)NCCN1CCOCC1 303972715 GCGYRAJKJSALEU-UHFFFAOYSA-N 320.397 -0.483 30 20 DBED CCn1cc([C@@H]2CN(/C(O)=N/Cc3nnn(C)n3)CCO2)cn1 330221562 LTLGEWDASNHNDK-NSHDSACASA-N 320.357 -0.086 30 20 DBED Cn1nnc(C/N=C(/O)N2CCC[C@@H](C(=O)N3CCCC3)C2)n1 330223490 NDNYFOLPFZRFRI-LLVKDONJSA-N 321.385 -0.042 30 20 DBED N#Cc1ncn(CC(=O)N2CCCC[C@H]2CN2CCOCC2)n1 330271524 WBBHGGFORUIFFH-ZDUSSCGKSA-N 318.381 -0.137 30 20 DBED CCN(/C(O)=N/C[C@@H]1CN(C)CCO1)[C@H](C)CS(C)(=O)=O 330719741 WNNVHZBEJVJMFR-VXGBXAGGSA-N 321.443 -0.014 30 20 DBED CC/N=C(/O)NC(=O)[C@@H](C)N1CCN(Cc2ncc[nH]2)CC1 330770525 NXIQQNUEWHJSSD-LLVKDONJSA-N 308.386 -0.034 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1CCN(CC#N)CC1 337071836 NSVUPRJIIXYCNX-UHFFFAOYSA-N 315.399 -0.766 30 20 DBED CN(C(=O)CN1CCN(S(C)(=O)=O)CC1)C1(C#N)CCC1 347510154 HHCOXAUKMDANEF-UHFFFAOYSA-N 314.411 -0.532 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H]2CCCC2=O)C1=O 348484756 MXFOEPSEMHZYQT-SECBINFHSA-N 307.306 -0.551 30 20 DBED C[C@H](C#N)S(=O)(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 352408500 VIZZEIRCPXPHDC-GHMZBOCLSA-N 301.368 -0.449 30 20 DBED COCCN(C)CCN1C[C@@H](NC(=O)C(C)(C)C#N)CC1=O 354132798 ZRKHKZZQYHHEJC-LBPRGKRZSA-N 310.398 -0.169 30 20 DBED CCN(CCC#N)C(=O)CN(CCNS(C)(=O)=O)C1CC1 361389305 BACYDVYFLYVEFH-UHFFFAOYSA-N 316.427 -0.238 30 20 DBED N#CCCNC(=O)CCC(=O)N=c1ccc2nc(O)[nH]c2[nH]1 427605579 AWKNPVMQARLWEL-UHFFFAOYSA-N 302.294 -0.166 30 20 DBED N#CCCn1ccc(NC(=O)C(=O)N2CCO[C@@H]3CCC[C@H]32)n1 436419770 KRMZRNWAIWYYJJ-VXGBXAGGSA-N 317.349 0.515 30 20 DBED C#CCN1CCN(C(=O)CN[C@@](C)(C(=O)OC)C2CC2)CC1 490876900 VPKQMKWDGAMWMK-MRXNPFEDSA-N 307.394 -0.305 30 20 DBED C#CCN(C)CCCNC(=O)CCC(=O)N1CCC(O)CC1 491706561 XAOOQEFYGPGSKO-UHFFFAOYSA-N 309.410 -0.179 30 20 DBED CN1CCN(CC(=O)NCC#N)C[C@H]1c1nc(C2CC2)no1 551919327 ICAVHBUTHOMBJS-NSHDSACASA-N 304.354 -0.125 30 20 DBED CN(C)c1nc(N)nc(C(=O)N=c2ccn(CCC#N)[nH]2)n1 553462575 NUOOOVYBHBAODE-UHFFFAOYSA-N 301.314 -0.696 30 20 DBED CC(C)OCCOC[C@H](O)CN(C)S(=O)(=O)CCC#N 565842545 GPGRJWDCWRWQGN-GFCCVEGCSA-N 308.400 -0.036 30 20 DBED C[C@@H]1CN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)C[C@H]1O 589471967 OCGXLBNRBPPOBS-ZWNOBZJWSA-N 323.374 -0.324 30 20 DBED N#Cc1cncc(S(=O)(=O)N[C@@H](C(=O)O)[C@@H]2CCOC2)c1 589542954 OZLQBHVYKBEJRJ-MWLCHTKSSA-N 311.319 -0.279 30 20 DBED COCCN(CCC#N)S(=O)(=O)NC[C@@](C)(CO)OC 594485018 OUALTEKNZIAMBW-NSHDSACASA-N 309.388 -0.920 30 20 DBED CNCCNC(=O)C(=O)N1CCN(c2ccsc2C#N)CC1 595281338 IYUDHZKOLZKIKA-UHFFFAOYSA-N 321.406 -0.396 30 20 DBED CS(=O)(=O)NC1CN(C(=O)c2ncc(C#N)cc2Cl)C1 600324818 HHNHIUVXMMNNST-UHFFFAOYSA-N 314.754 -0.020 30 20 DBED C=C[C@](C)(O)C(=O)NCCNS(=O)(=O)Cc1ccon1 612029139 OWGISRDNKUDWPK-NSHDSACASA-N 303.340 -0.853 30 20 DBED N#CCc1cccc(S(=O)(=O)NCC(=O)N2CCOCC2)c1 619495411 RFOMBXAXQLBRQC-UHFFFAOYSA-N 323.374 -0.110 30 20 DBED CC#CC[C@H](CO)NC(=O)[C@H]1CCCN(S(=O)(=O)CC)C1 649189255 BAPWOZPNZFJBHE-QWHCGFSZSA-N 316.423 -0.061 30 20 DBED COCCCNC(=S)NN=Cc1cn(CC(=O)O)nn1 768475796 DKJDPGVUEMFXBC-UHFFFAOYSA-N 300.344 -0.803 30 20 DBED CN(C)C(=O)COC1CN(Cn2nc(CC#N)n(C)c2=S)C1 794632601 QSIUKMDERXUKKS-UHFFFAOYSA-N 324.410 -0.236 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CC[C@@](C)(C(=O)NC)C1)[C@H]1CCCO1 809311543 XUTQMICBIXAOSD-HWWQOWPSSA-N 321.377 -0.732 30 20 DBED CC#CCS(=O)(=O)NC(=O)C(C)(C)NC(=O)C(F)(F)F 810777673 LUQRUEXFBQJTRQ-UHFFFAOYSA-N 314.285 -0.087 30 20 DBED C#CCNS(=O)(=O)N1CCN(C/C=C(\C)C(=O)O)CC1 833365845 UHEQVGXNPXFLFC-NYYWCZLTSA-N 301.368 -0.898 30 20 DBED C=C[C@H](C)ONC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 846545442 HBMLJWNOWBPHOF-ZETCQYMHSA-N 316.339 -0.986 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N1CCN(C(C)C)C(=O)C1 850709983 OOAFVHYUNORDTE-UHFFFAOYSA-N 323.393 -0.436 30 20 DBED Cc1nn(CN2CCN(c3c(C#N)c(C)nn3C)CC2)c(=O)o1 853507932 FJUSEURPVFUQRA-UHFFFAOYSA-N 317.353 -0.162 30 20 DBED C=CCCC(=O)[C@@H]1CCCN1C(=O)CNS(=O)(=O)N(C)C 908660454 UIWMJIJKCKVXLB-NSHDSACASA-N 317.411 -0.091 30 20 DBED C#CC[C@H](CO)NC(=O)NCCCN1CCCS1(=O)=O 916079403 HAQJFNRNBFPYCS-LLVKDONJSA-N 303.384 -0.905 30 20 DBED CN1CC[C@@H](C(=O)N[C@H]2CCN(C(=O)C#CC3CC3)C2)C1=O 938467318 BPURMAOSAKIRHM-STQMWFEESA-N 303.362 -0.405 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2cn(C)c(=O)nc2O)[C@H](C)C1 944907554 NJNLGMJQKBWKAU-ZYHUDNBSSA-N 304.350 -0.441 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)C[C@H]1C 947926467 YOSWERAVGVBQIJ-CHWSQXEVSA-N 320.393 -0.127 30 20 DBED C#Cc1ccc(C(=O)NC2CCN(C(=O)C(N)=O)CC2)cn1 948071797 CNMCHXXGSDGNPD-UHFFFAOYSA-N 300.318 -0.731 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]1CNC(=O)c1nccnc1C(N)=O 949880207 IRUYMMGRQRJEDL-DTWKUNHWSA-N 316.321 -0.934 30 20 DBED CC#CCN1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)CC1 951777503 RKEJKGBGKBEJHR-UHFFFAOYSA-N 304.350 -0.906 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H](NC(=O)c2cn(C)c(=O)cn2)C1 951868849 XHMLCISQHGWXRZ-MNOVXSKESA-N 317.349 -0.339 30 20 DBED C#Cc1cncc(C(=O)N2CCC[C@@H](NC(=O)C(N)=O)C2)c1 951958044 PLNSEVKWEGMEAM-GFCCVEGCSA-N 300.318 -0.731 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@@H]3CCN(C(=O)C(N)=O)C[C@H]32)c1 953453764 YIKWVYRSRQQFBP-CMPLNLGQSA-N 315.333 -0.565 30 20 DBED C[C@H]1CCN(C(=O)C(=O)N(C)C2CN(C(=O)[C@H](C)C#N)C2)C1 955382218 AVAIBZCNQIDGOE-WDEREUQCSA-N 306.366 -0.316 30 20 DBED Cc1cnc2c(C(=O)NC[C@@H]3CN(CC#N)C[C@H]3O)cnn2c1 958445126 VFQUVPPUEZFTTA-DGCLKSJQSA-N 314.349 -0.416 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H]2CN(C(=O)c3cncnc3)C[C@@H]21 960879979 GUOAOHHJZFCDBF-WCFLWFBJSA-N 315.333 -0.312 30 20 DBED N#CCN1C[C@H]2C(NC(=O)C3(N4CCOCC4)CCC3)[C@@H]2C1 962161836 DNNCAMHMILFTAX-CHWSQXEVSA-N 304.394 -0.189 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2[C@@H]3CN([C@@H](CC)C(N)=O)C[C@@H]32)nc1 962337959 BAMARIVSMRUBTN-MYZSUADSSA-N 312.373 -0.013 30 20 DBED O=C(NC[C@@H]1COCCN1C(=O)C#CC1CC1)c1cccnn1 964313228 IISYHJSKAHEZLB-CYBMUJFWSA-N 314.345 -0.153 30 20 DBED C[C@H](C#N)C(=O)N1CC2(C[C@@H](NC(=O)c3cncnc3)CO2)C1 965672494 BNXRPAXKIHUTOW-ZYHUDNBSSA-N 315.333 -0.264 30 20 DBED COc1cc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)ccn1 968679704 OHCJZJZNWQTRGU-JLLWLGSASA-N 318.333 -0.449 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@H](NC(=O)[C@@]2(C)CCNC2=O)C1 970615697 QBGQQVIWOVWJGJ-GDLVEWKHSA-N 323.393 -0.587 30 20 DBED C=CCCN1C[C@H]2CC[C@H]1CN2C(=O)[C@@H]1CC(=O)NC(=O)N1 971868987 GFMHHTGFAQPHTE-TUAOUCFPSA-N 306.366 -0.164 30 20 DBED CC#CCN1CCO[C@]2(CCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)C1 972554607 QYWUXRLGXIPPKY-DVOMOZLQSA-N 305.378 -0.566 30 20 DBED CN(C[C@H]1CCN1C(=O)c1c[nH]c(C#N)c1)C(=O)c1cnn[nH]1 977970227 LOYICBKLCUQEOP-LLVKDONJSA-N 313.321 -0.009 30 20 DBED N#CCN1C[C@@H]2C(CNC(=O)[C@@H]3Cc4cncn4C(=O)N3)[C@H]2C1 978519415 HHTDPVAIWUVEKN-UPJWGTAASA-N 314.349 -0.817 30 20 DBED C#CCN[C@H]1CCC[C@@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)C1 981364590 OVLYBZJMMIDAIB-WDEREUQCSA-N 320.349 -0.943 30 20 DBED C#Cc1cncc(C(=O)N2CC(NC(=O)[C@H]3COCCO3)C2)c1 990284677 NVXIQDISDWFKGV-CQSZACIVSA-N 315.329 -0.581 30 20 DBED N#Cc1cc(C(=O)N2CC(NC(=O)[C@H]3CCNC(=O)C3)C2)c[nH]1 990799122 TWIKFXFWXMBDCP-VIFPVBQESA-N 315.333 -0.647 30 20 DBED C=CCCN1CCC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@@H]1C 993330740 DQWNAQQDSGQJAW-NWDGAFQWSA-N 320.397 -0.078 30 20 DBED C=C1CC(C)(C(=O)N2CC(NC(=O)[C@@H]3CN(C)C(=O)N3)C2)C1 997448185 OJCPSNVKYKWMBL-NSHDSACASA-N 306.366 -0.307 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)c2cnn(CC)n2)C1 1000008685 GGXBDYFMNQVRJD-YPMHNXCESA-N 319.365 -0.170 30 20 DBED C#CCN1CC=C(CNC(=O)c2nc(O)nc(O)c2OC)CC1 1001366840 QYKQMRQYKGQFCQ-UHFFFAOYSA-N 318.333 -0.109 30 20 DBED CC#CCN1CC=C(CNC(=O)[C@@H]2CCS(=O)(=O)N2)CC1 1001457466 VYDAICBRFGKSMA-ZDUSSCGKSA-N 311.407 -0.550 30 20 DBED CN1C(=O)CC[C@H]1C(=O)NCC1CN(C(=O)C#CC2CC2)C1 1003696232 SXEZPGBKZFYMTL-ZDUSSCGKSA-N 303.362 -0.405 30 20 DBED C[C@@H](C#N)C(=O)N1CCCCC[C@H]1CNC(=O)c1nnn(C)n1 1005496794 HZWMKWVEGFKIPV-QWRGUYRKSA-N 319.369 -0.129 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2C(CNC(=O)c3ncn(C)n3)[C@H]2C1 1009033775 PXGGAUXACSPVHB-FBIMIBRVSA-N 302.338 -0.591 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@H](CNC(=O)c3cnn(C)n3)[C@H]2C1 1009253942 HRNHNAFNYKPZOH-DBIOUOCHSA-N 302.338 -0.591 30 20 DBED N#Cc1c[nH]c(C(=O)N2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)c1 1010924763 BBTKQQGCDLOUNO-MNOVXSKESA-N 315.333 -0.708 30 20 DBED C[C@@]1(C(=O)N2CCN(C(=O)C#CC3CC3)CC2)CCNC1=O 1011109912 FMBPLVDVJIVDLR-MRXNPFEDSA-N 303.362 -0.403 30 20 DBED NC(=O)C(=O)N[C@@H]1CCC[C@H]2CN(C(=O)C#CC3CC3)C[C@@H]21 1014579979 FFGFJZOWZYGFON-RWMBFGLXSA-N 303.362 -0.372 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2CCN(Cc3nnn(C)n3)C2)c1 1015678157 CMUOKGXFPRVUPS-CYBMUJFWSA-N 311.349 -0.409 30 20 DBED C[C@H](C#N)C(=O)N1CCC2(CN(C(=O)[C@H]3CCN(C)C3=O)C2)C1 1019301257 LGTFZEVLABKKDO-NEPJUHHUSA-N 318.377 -0.315 30 20 DBED C#CCN[C@@H]1CC[C@@H]2CN(C(=O)CN3CCCNC3=O)C[C@H]21 1026301836 FKTSZUKKAFTPTQ-MGPQQGTHSA-N 304.394 -0.139 30 20 DBED CN(CC#N)[C@@H]1CCCN(C(=O)c2cnc(O)n(C)c2=O)C1 1027518681 YFIOOCAHWJAHQR-SNVBAGLBSA-N 305.338 -0.454 30 20 DBED C#CCN(C)[C@H]1CCCN(C(=O)CC[C@@H]2NC(=O)NC2=O)C1 1027673125 DEOZZIOXWFMDLZ-RYUDHWBXSA-N 306.366 -0.469 30 20 DBED CC#CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)c1coc(S(N)(=O)=O)c1 1037472331 KECIPSPKKINMTI-CDMKHQONSA-N 323.374 -0.247 30 20 DBED N#CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)c1coc(S(N)(=O)=O)c1 1037473084 VYJAUXXCLSCPOE-HDBBIHSSSA-N 310.335 -0.747 30 20 DBED C=C(C)CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)CN1CC(=O)NC1=O 1037624272 OCWZPQHPKKJKNE-SUNKGSAMSA-N 306.366 -0.307 30 20 DBED Cn1[nH]c(CN2CC[C@H]2CNC(=O)c2ccc(C#N)[nH]2)nc1=O 1038170585 UFLBHPPWAUVSLM-JTQLQIEISA-N 315.337 -0.688 30 20 DBED N#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CN1CCNC(=O)C1 1039416071 IJNIUNINFQWQQG-OLZOCXBDSA-N 305.382 -0.993 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@]1(O)CCN(C(=O)COCC)C1 1039575725 FCBOOINNWPXTPG-GJZGRUSLSA-N 314.382 -0.570 30 20 DBED C#CCCCC(=O)NC[C@@]1(O)CCN(C(=O)c2nonc2C)C1 1039579246 DYQKVVFMJYVVJR-HNNXBMFYSA-N 320.349 -0.125 30 20 DBED O=C(C#CC1CC1)NC[C@]1(O)CCN(C(=O)[C@H]2CCCOC2)C1 1039676776 AKBCGTMVYVCHDN-WMLDXEAASA-N 320.389 -0.094 30 20 DBED C#CCCCC(=O)N1CC[C@](O)(CNC(=O)c2cnon2)C1 1040666317 VOTUMADFKGJRHS-AWEZNQCLSA-N 306.322 -0.434 30 20 DBED CC#CCN1CC[C@H]2CCN(C(=O)Cn3cnnc3O)C[C@@H]21 1042020632 LAOZFCCXYXKFCP-STQMWFEESA-N 303.366 -0.070 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCCOC2)C1 1042802342 ILIQNXUCKJJZFZ-CYBMUJFWSA-N 308.378 -0.094 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)[C@H]2CC(=O)N(C)C2)C1 1043410252 QIHPQCRWHRUNKR-NSHDSACASA-N 309.366 -0.880 30 20 DBED C=C[C@@H](C)[C@H](C)C(=O)N1CC(O)(CNC(=O)c2cnn[nH]2)C1 1043816290 OHSZSRCJRZSVGE-ZJUUUORDSA-N 307.354 -0.434 30 20 DBED N#Cc1cnc(N2C[C@H](O)[C@H](NC(=O)c3ccon3)C2)cn1 1043862422 AFPFQZSIYUUGPR-MNOVXSKESA-N 300.278 -0.684 30 20 DBED C=C(C)CN[C@@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)[C@H](C)C1 1044882552 ZMSASQIHOUJEPS-VXGBXAGGSA-N 320.397 -0.078 30 20 DBED CC#CCCCC(=O)NCC1(O)CN(C(=O)c2cc[nH]n2)C1 1045003604 YCBLSSIGMXJIIC-UHFFFAOYSA-N 304.350 -0.094 30 20 DBED C[C@]1(C(=O)N2CCN([C@@H]3CCN(CC#N)C3)CC2)CNC(=O)C1 1046047729 XLKYLJLCGRDAGB-CZUORRHYSA-N 319.409 -0.745 30 20 DBED CN1C[C@H](C(=O)NC[C@@H]2CN(CC#N)CCC2(F)F)NC1=O 1046966350 QMQSBAFNQVJUHY-NXEZZACHSA-N 315.324 -0.393 30 20 DBED C=C(C)CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@]2(C)CNC(=O)C2)C1 1047469564 XNGALYNATOAUOS-XEZPLFJOSA-N 309.410 -0.018 30 20 DBED C=CCCC(=O)N(C)[C@H]1CN(C(=O)Cc2cnc[nH]2)C[C@@H]1O 1048530615 IBZREJAIZUFXIJ-STQMWFEESA-N 306.366 -0.052 30 20 DBED Cc1nnc(CC(=O)N2C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)C#N)C2)o1 1049394385 JPRPZHCRDJETOR-MIMYLULJSA-N 321.337 -0.890 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H]([C@@H](C)NC(=O)C(F)F)C1 1050489254 AIECFQNJJNQJLJ-NXEZZACHSA-N 315.320 -0.256 30 20 DBED C#CCCN1CCOC[C@H]1CNC(=O)c1cncc(OC)n1 1051147629 LOBYZZKHRLLHTI-GFCCVEGCSA-N 304.350 -0.061 30 20 DBED N#CCN1CCOC[C@H]1CNC(=O)[C@@H]1CCc2n[nH]cc2C1 1051205466 YBKIQELCCXSNAF-DGCLKSJQSA-N 303.366 -0.145 30 20 DBED C[C@@H](O)CN1CC2(C[C@H](NC(=O)c3c[nH]c(C#N)c3)CO2)C1 1053780358 JFGJUNKKDCYUPU-MFKMUULPSA-N 304.350 -0.160 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)c3ccnn3CCOC)CO2)C1 1053838584 GTCJHIHMBDXWGJ-CYBMUJFWSA-N 318.377 -0.264 30 20 DBED C#CCN[C@@H]1CN(C(=O)CN2C(=O)CC(C)(C)C2=O)C[C@H]1C 1054654440 FCTFAJCSTWFAMR-VXGBXAGGSA-N 305.378 -0.159 30 20 DBED N#Cc1cnccc1N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cn1cnnn1 1055282548 JXFAZTOMXDJPFY-BZPMIXESSA-N 324.348 -0.134 30 20 DBED N#Cc1ccc(N2CCN(C(=O)[C@H]3CCCNC3=O)CC2)nn1 1055927991 GNHXDICGWSSPOY-LBPRGKRZSA-N 314.349 -0.477 30 20 DBED N#Cc1ccc(N2C[C@H]3C(NC(=O)Cc4cncnc4)[C@@H]3C2)nn1 1056191565 RBKBBSAUYBQNDY-CHWSQXEVSA-N 321.344 -0.068 30 20 DBED N#Cc1cncc(N2C[C@H]3[C@H](NC(=O)c4c[nH]c(=O)cn4)[C@H]3C2)n1 1056389520 NIPMCXZHVKZCDO-MSRIBSCDSA-N 323.316 -0.704 30 20 DBED N#Cc1cncc(N2C[C@@H]3C(NC(=O)[C@H]4C[C@H]4C(N)=O)[C@H]3C2)n1 1056406154 BFPYULHBAQFUBA-RCWTZXSCSA-N 312.333 -0.980 30 20 DBED CC(C)OCC(=O)NCCN(CCO)C(=O)CSCC#N 1057026962 SQIGDEZKERLEQZ-UHFFFAOYSA-N 317.411 -0.395 30 20 DBED CC(=O)N(C)CC(=O)N(CCO)CCNC(=O)C#CC(C)C 1057031690 TZFSTMAQVGVAPM-UHFFFAOYSA-N 311.382 -0.939 30 20 DBED CO[C@@H](C)C(=O)N(CCO)CCNC(=O)CSCC#N 1057113288 YRYPKJWJNLHCOM-JTQLQIEISA-N 303.384 -0.785 30 20 DBED C=CCCOCC(=O)NCCN(CCO)C(=O)c1cncn1C 1058029630 KZMSPUDHTVLYHP-UHFFFAOYSA-N 324.381 -0.437 30 20 DBED N#Cc1cnc(N[C@@H]2CC[C@H]3CN(C(=O)CC(N)=O)C[C@H]32)cn1 1060524002 SVLNNMFEAIBWLY-MVWJERBFSA-N 314.349 -0.127 30 20 DBED N#Cc1nc(=N[C@@H]2CC[C@H]3CN(C(=O)c4nc[nH]n4)C[C@@H]32)cc[nH]1 1060534502 AVBNSXUBLYZWNW-GARJFASQSA-N 324.348 -0.149 30 20 DBED C=CCCCC(=O)N1CCOC[C@H]1CNC(=O)CC(=O)NC 1061527948 JCIXZSVTBWPASJ-GFCCVEGCSA-N 311.382 -0.178 30 20 DBED O=C(C#CC1CC1)NC[C@H]1COCCN1C(=O)c1csnn1 1061573264 OQMMANSUSJFNBV-NSHDSACASA-N 320.374 -0.091 30 20 DBED C=CCOCC(=O)N1CCOC[C@H]1CNC(=O)c1c[nH]nc1C 1061745936 JIIOJURSTGLRSQ-GFCCVEGCSA-N 322.365 -0.122 30 20 DBED N#CCSCC(=O)N1CCOC[C@@H]1CNC(=O)c1nc[nH]n1 1061766153 AGSPBGYMKIYRNS-VIFPVBQESA-N 324.366 -0.981 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)Cc1cc[nH]n1 1061846635 PJNSIRMPNOBXIQ-ZYHUDNBSSA-N 305.338 -0.545 30 20 DBED Cc1cc(C(=O)N2CCOC[C@@H]2CNC(=O)[C@H](C)C#N)n[nH]1 1061848286 XVEIEQDTKACFEG-KOLCDFICSA-N 305.338 -0.165 30 20 DBED CN(C(=O)[C@H]1COCCO1)[C@H]1CCN(c2nccnc2C#N)C1 1062887701 YBJRLDSILKTTDU-WCQYABFASA-N 317.349 -0.199 30 20 DBED N#Cc1ccc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)Cn2ncnn2)cn1 1064298121 SPVNYXBBAXPTBO-LQJRIPTKSA-N 310.321 -0.667 30 20 DBED C#CCOCCC(=O)NC[C@H]1CN(C(=O)CSC)CCO1 1064821025 JFZIJGMDYZLTSL-LBPRGKRZSA-N 314.407 -0.267 30 20 DBED N#CCSCC(=O)NC[C@H]1CN(C(=O)c2ccon2)CCO1 1064911576 IMPWCDOATBQIBM-JTQLQIEISA-N 324.362 -0.111 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)[C@H]2CCC(=O)N2)CCO1 1064974093 LIIIQKPYXJNYKP-QWHCGFSZSA-N 321.377 -0.588 30 20 DBED C[C@]1(NC(=O)[C@H]2C[C@H]2C(N)=O)CCN(c2cnc(C#N)cn2)C1 1065329035 FPGALLKHKGDOQR-ZETOZRRWSA-N 314.349 -0.445 30 20 DBED N#Cc1ccc(C(=O)N2CCC[C@@H](NC(=O)CC(N)=O)CC2)[nH]1 1066009181 XXNSNGIXKWZVJR-SNVBAGLBSA-N 317.349 -0.127 30 20 DBED N#Cc1cnc(N2CCOC[C@@H]2CNC(=O)c2ccon2)cn1 1066469006 UEBLVJJXRBVTDP-NSHDSACASA-N 314.305 -0.029 30 20 DBED C[C@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1N=c1cc[nH]c(C#N)n1 1067117174 FKNKNLLDXOXRDA-GXSJLCMTSA-N 312.337 -0.529 30 20 DBED C#CCOCCC(=O)N(C)CCCN(C)C(=O)c1cn(C)nn1 1067330493 DWFHGLILKJJPMG-UHFFFAOYSA-N 321.381 -0.225 30 20 DBED N#Cc1cncc(N2C[C@@H](O)[C@@H](CNC(=O)c3ccc[nH]3)C2)n1 1067657178 XYORPRWMCNGFDK-GXFFZTMASA-N 312.333 -0.097 30 20 DBED C[C@H](Nc1ncc(C#N)cc1F)[C@H]1CN(C(=O)C(N)=O)CCO1 1068243169 FYMWATIEWJEUQZ-GZMMTYOYSA-N 321.312 -0.395 30 20 DBED CC(=O)N[C@H](C)C(=O)N1CCOC2(CN(C(=O)[C@@H](C)C#N)C2)C1 1068287980 JHQDVPXCPDKVHA-WDEREUQCSA-N 322.365 -0.890 30 20 DBED C=CCCC(=O)N[C@H]1COC2(C1)CN(C(=O)[C@H](C)NC(C)=O)C2 1068747805 NETHKFAQPDMHFJ-WCQYABFASA-N 323.393 -0.037 30 20 DBED C=CCOCC(=O)N[C@H]1COC2(C1)CN(C(=O)c1ncc[nH]1)C2 1068764143 KRPOLFLMPWDJHM-LLVKDONJSA-N 320.349 -0.288 30 20 DBED CO[C@H](C(=O)N1CCC(=O)NCCN(CC#N)CC1)C(C)C 1070995961 BTYUPWOGDHEFBN-AWEZNQCLSA-N 310.398 -0.169 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CCCN(C(=O)COCCN(C)C)C1 1071015117 QOLYXXDYHCTDDG-QWHCGFSZSA-N 310.398 -0.169 30 20 DBED C#CCN1CC[C@@]2(C1)CN(C(=O)Cc1n[nH]c(C)n1)C[C@H](C)O2 1071166867 PBLIITXXYXDXDP-BLLLJJGKSA-N 317.393 -0.019 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(C(=O)CC(=O)NC)[C@H](C)C1 1074891389 GKXOKVYTJBOIRD-NEPJUHHUSA-N 311.382 -0.179 30 20 DBED C[C@@H](CCNC(=O)CSCC#N)NC(=O)CCNC(N)=O 1075678256 SOYYZSSGEZVOLR-VIFPVBQESA-N 315.399 -0.687 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)Cc2nnn(C(C)(C)C)n2)C1 1077049768 KXNAHFJTMBCTGB-GHMZBOCLSA-N 308.386 -0.682 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)c2c3c(nn2C)CCC3)C1 1077994721 XEMNCFGRJWRYPE-ZIAGYGMSSA-N 302.378 -0.293 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)c2cnccc2N(C)C)C1 1078018332 WMLXTMIFBSVIOU-UKRRQHHQSA-N 302.378 -0.054 30 20 DBED Cn1nnc2ccc(C(=O)N[C@@H]3CN(CC#N)C[C@H]3O)cc21 1078080047 VZUPVZCCDMDVEW-DGCLKSJQSA-N 300.322 -0.733 30 20 DBED Cn1ncc(C(F)(F)F)c1C(=O)N[C@@H]1CN(CC#N)C[C@H]1O 1078104812 WWWHDSXSXDZYLO-RKDXNWHRSA-N 317.271 -0.263 30 20 DBED C[C@@H](CCNC(=O)[C@@H](C)C#N)NC(=O)CNC(=O)N1CCCC1 1078137713 HQPYIHSKPBVISM-RYUDHWBXSA-N 323.397 -0.038 30 20 DBED CC(C)C(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1CN(CC#N)C[C@H]1O 1078222810 RANPEPVBGAHKPC-MGPQQGTHSA-N 322.409 -0.292 30 20 DBED Cn1ncnc1CNC[C@H]1CN(C(=O)C#CC2CC2)CCCO1 1078398360 NNIRYCLICWAJRL-AWEZNQCLSA-N 317.393 -0.064 30 20 DBED C#CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)C2(C(N)=O)CC2)C1 1079777236 VZWDGRLZVTWTFJ-LLVKDONJSA-N 321.377 -0.651 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CO)(NC(=O)[C@@H]2CCCN2C)CC1 1080778649 LYVBAUUKYNENEB-OLZOCXBDSA-N 322.409 -0.290 30 20 DBED COCC(=O)NC[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1O 1081177227 BPZVDOFRGKXNKI-SKDRFNHKSA-N 306.322 -0.918 30 20 DBED C=CCCC(=O)N1C[C@H](CNC(=O)Cc2cncn2C)[C@@H](O)C1 1081619168 XQSPYWJFRPOSLS-JSGCOSHPSA-N 320.393 -0.136 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cccnn2)C1 1081688933 YCVLXDAHDOUBKH-WCQYABFASA-N 320.349 -0.772 30 20 DBED C#Cc1ccccc1CC(=O)N[C@@H]1CN([C@@H](C)C(N)=O)C[C@@H]1O 1083998672 ILBVHOTUBHJFOT-GLQYFDAESA-N 315.373 -0.755 30 20 DBED CCCC(=O)N1CCC[C@H]1C(=O)N[C@@H]1CN(CC#N)C[C@@H]1O 1084085433 VOYKYEGPXMIMTE-AGIUHOORSA-N 308.382 -0.538 30 20 DBED C=CCCN1CC[C@H]1CN(C)C(=O)[C@@H]1CCS(=O)(=O)N1 1085976718 DTSXKOCWXJMKSU-RYUDHWBXSA-N 301.412 -0.213 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H]1C[C@H](N[C@H](CC)C(N)=O)C1 1086390433 UFJKYKOEUUWWHV-TUVASFSCSA-N 320.437 -0.168 30 20 DBED CC#CCN1CC[C@H](NC(=O)Cn2ccc(O)nc2=O)[C@H]1CC 1087645142 JLHRYANJIAGDQO-QWHCGFSZSA-N 318.377 -0.059 30 20 DBED CNC(=O)NCC(=O)N[C@H](C)C[C@@H](C)Nc1cncc(C#N)n1 1089498811 JOYMHCNVGFTGGA-NXEZZACHSA-N 319.369 -0.028 30 20 DBED C#CCN1CC[C@H](NC(=O)c2nc3ncc(C)cn3n2)[C@H](O)C1 1090349661 OZISZYNLCYEAOV-NWDGAFQWSA-N 314.349 -0.769 30 20 DBED N#CCN1CC[C@@H](NC(=O)Cn2cnc3c2CCCC3)[C@@H](O)C1 1090436313 PTDYVVNCTVLQGG-HIFRSBDPSA-N 317.393 -0.163 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)CCCC(N)=O)C2)nc1 1090443461 YWAZPAZWDWHYIS-VXGBXAGGSA-N 317.349 -0.725 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2ccc3nc(O)[nH]c3n2)[C@H](O)C1 1090524356 ZBDFHRANIQFJDC-BXKDBHETSA-N 315.333 -0.538 30 20 DBED CC(=O)N[C@H](C)C(=O)NC1[C@H]2CN(c3cnc(C#N)cn3)C[C@H]12 1093207875 OBQKQNCZVMACSB-ZHAHWJHGSA-N 314.349 -0.576 30 20 DBED CC(C)(C(N)=O)C(=O)NC1[C@@H]2CN(c3cnc(C#N)cn3)C[C@@H]12 1093317156 WBIKXZRWTIOUMG-NXEZZACHSA-N 314.349 -0.589 30 20 DBED CC(C)S(=O)(=O)CC(=O)NCCNc1cncc(C#N)n1 1093645539 HKODMENUVUNBHK-UHFFFAOYSA-N 311.367 -0.300 30 20 DBED N#Cc1nc(=NCCNC(=O)[C@@H]2CCc3nncn3C2)cc[nH]1 1093669192 YMKAIQTYNDVWDO-SNVBAGLBSA-N 312.337 -0.848 30 20 DBED CCc1nc(C#N)cc(NCCNC(=O)[C@H](C)CC(N)=O)n1 1094033762 ZXTVKZUXLRXQPT-SECBINFHSA-N 304.354 -0.050 30 20 DBED COCC(=O)N[C@H](C)C(=O)NCCNc1ccc(C#N)nc1 1094185007 DBBYBPFFQGWHAV-SNVBAGLBSA-N 305.338 -0.368 30 20 DBED C=C(C)CN1CC(N2C[C@H](NC(=O)Cn3nccn3)CC2=O)C1 1094742053 MZSZKTSNLXWYQH-GFCCVEGCSA-N 318.381 -0.745 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)c3cnc(C)n3C)CC2=O)C1 1094776839 HMZRLMMULMOLPD-LBPRGKRZSA-N 317.393 -0.071 30 20 DBED C[C@H](CC(N)=O)C(=O)NC1CCN(c2nccnc2C#N)CC1 1095438128 AKQTVQGUFBEDJT-SNVBAGLBSA-N 316.365 -0.055 30 20 DBED CN(C)CCOCC(=O)N[C@@H]1CCN(c2ccc(C#N)nn2)C1 1096401110 PHGHESWIGAIUAJ-CYBMUJFWSA-N 318.381 -0.379 30 20 DBED CN(C)C(=O)CC(=O)N[C@H]1CCN(c2cnc(C#N)cn2)C1 1096489012 YPRWKAXYWRHHLG-JTQLQIEISA-N 302.338 -0.479 30 20 DBED Cc1cc(C#N)nc(N2CCC[C@@H]([C@@H](C)NC(=O)C(N)=O)C2)n1 1097548384 URDBYCQJHLGJRK-GHMZBOCLSA-N 316.365 -0.137 30 20 DBED C[C@H](CNC(=O)CCn1cncn1)Nc1nccnc1C#N 1097655867 XQKBWGLLSHSHON-SNVBAGLBSA-N 300.326 -0.053 30 20 DBED CCN1CCOC[C@H]1C(=O)NC[C@@H](C)Nc1cnc(C#N)cn1 1098129039 SUGRPYWEAYCZCS-YPMHNXCESA-N 318.381 -0.014 30 20 DBED C[C@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)Nc1ccc(C#N)cn1 1098214047 VIEAEXITJLZDMO-KOLCDFICSA-N 302.338 -0.107 30 20 DBED Cn1c(C(=O)N2CCC(N(CC#N)CCO)CC2)cnc1O 1098448443 ASCPCOFWYKEXSY-UHFFFAOYSA-N 307.354 -0.452 30 20 DBED C=C(C)CN(CCO)C1CCN(C(=O)[C@H]2CCNC2=O)CC1 1098448968 ZJDRGNQZDFCIID-AWEZNQCLSA-N 309.410 -0.016 30 20 DBED CC(=O)NCC(=O)N1CC[C@@H](CN=c2cc[nH]cc2C#N)C1 1098495865 DFXRGQRSVMUVDV-LBPRGKRZSA-N 301.350 -0.228 30 20 DBED C#CCN1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2CC(=O)NC2=O)C1 1099187621 ASAICGLNACGCAB-MKBNYLNASA-N 303.362 -0.357 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)c2ccsc2)[C@@H](O)C1 1099650577 HGJFYEBZIHKXAO-STQMWFEESA-N 321.402 -0.338 30 20 DBED CCOCCN1CC[C@@H](NC(=O)CSCC#N)[C@H](O)C1 1099687532 WPFODQHLHHACEH-VXGBXAGGSA-N 301.412 -0.169 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCN(Cc2cnn(C)c2)C[C@@H]1O 1099832852 NOQSYGARQZHJHZ-CABCVRRESA-N 320.393 -0.489 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)Cn2nccn2)[C@@H](O)C1 1099844523 IUTDSWMCLPATTI-OLZOCXBDSA-N 309.370 -0.968 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)Cn2nccn2)[C@H](O)C1 1099844524 IUTDSWMCLPATTI-QWHCGFSZSA-N 309.370 -0.968 30 20 DBED Cc1occc(=O)c1OCC(=O)N[C@@H]1CCN(CC#N)C[C@H]1O 1099916830 UJEINZSNMXWYIE-DGCLKSJQSA-N 321.333 -0.598 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)C2(CF)CC2)[C@H](O)C1 1100007385 YKTBASAMBIYYMY-VXGBXAGGSA-N 313.373 -0.410 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CCCS(C)(=O)=O)[C@H](O)C1 1100032652 ZFQPMDBREDVXBW-CHWSQXEVSA-N 316.423 -0.614 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)c2ccncn2)[C@H](O)C1 1100039984 ZHKNPTDHJRARGT-TZMCWYRMSA-N 306.366 -0.156 30 20 DBED C=CCN1CC[C@@H](NC(=O)CN(C)S(=O)(=O)CC)[C@H](O)C1 1100057043 CBBQEYADFQNTTD-VXGBXAGGSA-N 319.427 -0.995 30 20 DBED CC#CCN1CC[C@H](NC(=O)CCc2cnn(C)c2)[C@@H](O)C1 1100125433 YMHIHYUBCVEHBI-GJZGRUSLSA-N 304.394 -0.073 30 20 DBED CN(CCNC(=O)[C@@H]1CCCS1(=O)=O)c1cncc(C#N)n1 1100135255 LZVIMKFAZDUNSU-NSHDSACASA-N 323.378 -0.522 30 20 DBED CN(CCNC(=O)CC1CS(=O)(=O)C1)c1ncccc1C#N 1100220039 YDQWKYFUGSEMGZ-UHFFFAOYSA-N 322.390 -0.060 30 20 DBED CCc1nc(C#N)cc(N(C)CCNC(=O)[C@H](C)CC(N)=O)n1 1100268916 KTCXVLQGURURPN-SNVBAGLBSA-N 318.381 -0.025 30 20 DBED CC(C)(C(N)=O)C(=O)NC[C@@H]1CCCN1c1ccc(C#N)nn1 1100876707 IRXWSQMNTQUCOZ-NSHDSACASA-N 316.365 -0.055 30 20 DBED N#Cc1cnc(N2CC[C@H](CNC(=O)CCNC(N)=O)C2)cn1 1100980117 JYVVTPRYBQXSQA-SNVBAGLBSA-N 317.353 -0.651 30 20 DBED CN(CCNc1ncccc1C#N)C(=O)C[C@@H]1CC(=O)NC1=O 1101680375 KHYZUNKQUWNVNQ-NSHDSACASA-N 315.333 -0.124 30 20 DBED Cc1ccc(C#N)c(N2CC[C@@H](N(C)C(=O)CNC(N)=O)C2)n1 1102668744 SQFKEOSXAVEPAA-GFCCVEGCSA-N 316.365 -0.033 30 20 DBED CN(C(=O)CS(C)(=O)=O)[C@H]1CCN(c2ccnc(C#N)n2)C1 1102684201 SPLOIDHPNKMPFF-JTQLQIEISA-N 323.378 -0.570 30 20 DBED CC[C@@H](CNC(=O)[C@H]1CCNC1=O)Nc1cncc(C#N)n1 1103259099 DCIVCNIOFPZEKE-ONGXEEELSA-N 302.338 -0.209 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)C1=COCCO1 1104475592 OVFZEMLCBFPOAS-SNVBAGLBSA-N 303.322 -0.083 30 20 DBED C[C@@H](O)CNCc1cn(C2CN(C(=O)C#CC3CC3)C2)nn1 1105233460 ZUKJGVVSKFXWAN-LLVKDONJSA-N 303.366 -0.455 30 20 DBED COC1CC(C(=O)N2CC(n3cc(CNCC#N)nn3)C2)C1 1105266228 QSPYAYGTFWRZRS-UHFFFAOYSA-N 304.354 -0.300 30 20 DBED COc1nc(C(=O)N2CC(n3cc(CNCC#N)nn3)C2)co1 1105292537 UGHFGANKNQGYBA-UHFFFAOYSA-N 317.309 -0.415 30 20 DBED CC#CCNCc1cn(C2CN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C2)nn1 1105308132 JGIVCXNQNGQCBY-FICVDOATSA-N 315.377 -0.333 30 20 DBED C#CCNCc1cn(C2CN(C(=O)c3[nH]cnc3CC)C2)nn1 1105368132 PISWBZBZJOTGGG-UHFFFAOYSA-N 313.365 -0.017 30 20 DBED Cc1cc(=NC[C@@H](O)CNC(=O)[C@H]2CCCO2)c(C#N)c[nH]1 1105737728 JWFCKFWFCVEEGB-TZMCWYRMSA-N 304.350 -0.248 30 20 DBED C=CCOCC(=O)NC[C@H](O)CNc1nc(C)nc(N(C)C)n1 1105748231 SCXQLGOSULELRC-NSHDSACASA-N 324.385 -0.662 30 20 DBED CC(C)SCC(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1 1105754170 GZUIBQQTIKBEHC-JTQLQIEISA-N 309.395 -0.199 30 20 DBED Cc1cc(=NC[C@@H](O)CNC(=O)[C@@H]2CCCN2C)c(C#N)c[nH]1 1105754870 INPOOHJYHJWWOK-HIFRSBDPSA-N 317.393 -0.333 30 20 DBED C[C@@H](C(=O)NC[C@H](O)CNc1cncc(C#N)n1)n1cncn1 1105829645 VWCKJEFSRIRIIO-GXSJLCMTSA-N 316.325 -0.910 30 20 DBED CO[C@H](C(=O)NC[C@H](O)CNc1cnc(C#N)cn1)C(C)C 1106092803 NOYUPFVQRMYIHM-YPMHNXCESA-N 307.354 -0.092 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)[C@H]1COC(=O)N1 1106755024 XLQWLBKDBDTELB-SECBINFHSA-N 304.310 -0.861 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)N2)C[C@H]1C 1106991995 YUDLEMRQLJZEJE-UPJWGTAASA-N 313.423 -0.615 30 20 DBED N#Cc1ccc(NC/C=C\CNC(=O)[C@@H]2CCC(=O)N2)nn1 1107280155 IHGKQEYPXPAGSH-BVBSBALXSA-N 300.322 -0.289 30 20 DBED N#Cc1ccc(NC/C=C/CNC(=O)C[C@@H]2CCNC2=O)nn1 1107375645 VBWUIXJYIQOEMF-GXFZAYBSSA-N 314.349 -0.041 30 20 DBED Cc1cc(C#N)nc(NC/C=C\CNC(=O)[C@H]2CNC(=O)N2)n1 1107492049 GCWVYIUWOGNDNW-OTDNITJGSA-N 315.337 -0.578 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)c2ccn(CCOC)n2)C1 1108064846 NMXLHZCDJBDZOZ-MRXNPFEDSA-N 320.393 -0.017 30 20 DBED C=C(C)CN1CCO[C@](C)(CNC(=O)[C@H]2CN(C)C(=O)N2)C1 1108120360 YTDCXVBLBAOIJP-IUODEOHRSA-N 310.398 -0.207 30 20 DBED C[C@H](CN=c1cc[nH]cc1C#N)NC(=O)CN1CCCNC1=O 1108208515 KIMURTUTUJUABY-LLVKDONJSA-N 316.365 -0.293 30 20 DBED C[C@@H](CNc1nccnc1C#N)NC(=O)CN1CCCC1=O 1108247196 LRYJFZQWGYBCTQ-JTQLQIEISA-N 302.338 -0.113 30 20 DBED Cc1c(C(=O)N[C@@H](C)CN=c2cc[nH]c(C#N)n2)nnn1C 1108300416 SKEOBNBQUOQUQM-QMMMGPOBSA-N 300.326 -0.563 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)C(=O)NCC(F)(F)F)C1 1108309494 TWCMPPAXVOWSFH-GFCCVEGCSA-N 321.299 -0.495 30 20 DBED C=CCNC(=O)CN1CC(N2C[C@@H](NC(=O)C(C)C)CC2=O)C1 1108505799 DPFJBNJXRPPSAA-LBPRGKRZSA-N 322.409 -0.654 30 20 DBED CC#CCN1CC(N2C[C@@H](NC(=O)CSCC#N)CC2=O)C1 1108511657 WPZUGRYXPFOLNW-LBPRGKRZSA-N 320.418 -0.332 30 20 DBED COCC#CCN1CC(N2C[C@@H](NC(=O)[C@@H](C)C#N)CC2=O)C1 1108527453 JHHUNYKTMYYKEZ-STQMWFEESA-N 318.377 -0.803 30 20 DBED CO[C@H](C)CCC(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1 1108536653 HOPODJRYCIWYCM-VXGBXAGGSA-N 308.382 -0.274 30 20 DBED C[C@H](CN(C)c1cnc(C#N)cn1)NC(=O)[C@H]1CCC(=O)N1C 1109187893 UZHOJQRFKQGRPV-ZYHUDNBSSA-N 316.365 -0.090 30 20 DBED C[C@H](CN(C)c1nccnc1C#N)NC(=O)C1(C(N)=O)CC1 1109216864 IMVBTXLEKNAYPB-SECBINFHSA-N 302.338 -0.445 30 20 DBED CC(C)C#CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2[C@H](C)C(=O)NC(N)=O 1109249635 HKNSYKNQIQRXIC-NDBYEHHHSA-N 320.393 -0.049 30 20 DBED CN(CCCN=c1cc[nH]c(C#N)n1)C(=O)CN1CCCC1=O 1109363640 QEGAEAABRQRZRU-UHFFFAOYSA-N 316.365 -0.347 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN(C)CC(=O)NC(C)C 1110769053 ULJYQKBIYGNVJQ-KFWWJZLASA-N 320.437 -0.203 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cc1cnoc1 1110936526 RMOFWRITODGQPF-MCIONIFRSA-N 316.361 -0.312 30 20 DBED Cn1ccc(C(=O)N(CCO)CCNc2cncc(C#N)n2)n1 1111476172 BELHIHPEQCQEBV-UHFFFAOYSA-N 315.337 -0.372 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CCN(c2ncccn2)C[C@@H]1C 1112414883 NMRMXDSYWKVKQW-STQMWFEESA-N 315.377 -0.053 30 20 DBED CCOCCC(=O)NC[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1O 1112703234 ZPBKTWYIKSHLSA-DGCLKSJQSA-N 319.365 -0.312 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)C(C)(C)C)CC1 1112719730 RRNLZUCCXUNOKE-LBPRGKRZSA-N 307.394 -0.116 30 20 DBED COc1ccnc(N2C[C@H](CNC(=O)C#CC3CC3)[C@@H](O)C2)n1 1112721373 YGSKJAOWKBMGLV-STQMWFEESA-N 316.361 -0.188 30 20 DBED C#CCNC(=O)CC(=O)NC1CC(CNc2ncccn2)C1 1112830471 RDPOSWQNKVDUQE-UHFFFAOYSA-N 301.350 -0.077 30 20 DBED C=CCOCCN1CCN(C(=O)CN2CC(=O)N(C)C2=O)CC1 1113533105 SQYCQFLTRBILOB-UHFFFAOYSA-N 324.381 -0.773 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)CCOCC(C)C)[C@@H]2C1 1113921936 FSWDKKSBBMWYJD-ZIAGYGMSSA-N 321.421 -0.155 30 20 DBED Cc1cc(C(=O)N[C@H]2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]32)n[nH]1 1113948768 YICMODRLYNIQRW-IWIIMEHWSA-N 302.338 -0.982 30 20 DBED Cc1ocnc1C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1113954242 WVNQLXIQAQGPBC-IWIIMEHWSA-N 303.322 -0.717 30 20 DBED C=CCOCC(=O)NC1[C@H]2CN(CCN3C(=O)CCC3=O)C[C@H]12 1114034822 MKOYETRRWLPDIV-RYUDHWBXSA-N 321.377 -0.616 30 20 DBED Cc1ncc(C(=O)NC2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]23)[nH]1 1114037680 HGAGFOWURRAHAO-NXEZZACHSA-N 302.338 -0.982 30 20 DBED N#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3ccc(F)cn3)[C@H]2C1 1114157479 FXYXIJMPMFRVFJ-QWRGUYRKSA-N 317.324 -0.480 30 20 DBED COCC#CCN1C[C@@H]2C(NC(=O)c3cnn(C)c3N)[C@H]2C1 1114158005 OIEDYUVUSVBYFU-RYUDHWBXSA-N 303.366 -0.688 30 20 DBED CC#CCN1C[C@@H]2C(NC(=O)CS(=O)(=O)CCOC)[C@H]2C1 1114480234 JVTWCRWDLRIBIL-RYUDHWBXSA-N 314.407 -0.883 30 20 DBED N#CCN1C[C@H]2[C@H](NC(=O)C3(NC(N)=O)CCCCC3)[C@H]2C1 1114930829 VVSWJEIKGUHFHS-GDNZZTSVSA-N 305.382 -0.072 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)Cc3nonc3C)[C@H]2C1 1115048790 CRCFSPKSCJBREH-HBYGRHMLSA-N 319.365 -0.731 30 20 DBED CC(=O)NCC(=O)N1CCC(N(C)c2cnc(C#N)cn2)CC1 1115124979 HFEGGRYKEDDMCJ-UHFFFAOYSA-N 316.365 -0.088 30 20 DBED CN(C(=O)CNC(N)=O)[C@@H](CNc1cncc(C#N)n1)C1CC1 1115467695 YWGXNABRVRDVEL-NSHDSACASA-N 317.353 -0.335 30 20 DBED C[C@@H](CN(C)C(=O)[C@@H]1CCNC(=O)C1)N=c1cc[nH]c(C#N)n1 1115708539 FWOWOSGZUZTMJC-WDEREUQCSA-N 316.365 -0.445 30 20 DBED Cc1nc(N[C@@H](CO)CNC(=O)[C@@H]2COCCO2)ccc1C#N 1121144719 UOBSCSSBZZMPEJ-OLZOCXBDSA-N 320.349 -0.434 30 20 DBED CC(C)CO[C@@H](C)C(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1 1121159300 SOVDGWMACRHGJJ-NWDGAFQWSA-N 321.381 -0.280 30 20 DBED CC[C@H](C(=O)NC[C@@H](CO)Nc1nccnc1C#N)N(C)C 1121811674 DZKJVRJGRLPQJA-CMPLNLGQSA-N 306.370 -0.423 30 20 DBED C[C@@H](CC(=O)NC[C@H](CO)Nc1ccc(C#N)cn1)NC(N)=O 1122068370 CCSGOWHZVGFPBH-GXSJLCMTSA-N 320.353 -0.711 30 20 DBED CC(=O)N(C)CC(=O)N(C)C[C@@H](O)CNc1cncc(C#N)n1 1124111223 DNRBDGGSCMDDPT-LBPRGKRZSA-N 320.353 -0.942 30 20 DBED C=CCN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)[C@H]1CCS(=O)(=O)C1 1125953233 CJZMPXGWMWQENL-GARJFASQSA-N 316.379 -0.779 30 20 DBED CCCn1nnnc1CNCCNC(=O)c1c[nH]c(C#N)c1 1125994374 ADJBIDDZGPRCKR-UHFFFAOYSA-N 302.342 -0.198 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)[C@@H](OC)C1CC1 1126486869 LPKPICOMQPTVLL-LBPRGKRZSA-N 312.370 -0.871 30 20 DBED CC(=O)N[C@H](C)C(=O)N(C)C1CC(N=c2cc[nH]c(C#N)n2)C1 1126842163 OCAJYKYCODWEGS-OIKLOGQESA-N 316.365 -0.304 30 20 DBED N#CCSCC(=O)NCc1cnn2c1CN(CCO)CC2 1128218072 PJUDQXUJTHZKGI-UHFFFAOYSA-N 309.395 -0.436 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)C(C)(C)COC 1131323747 RTKVUBZBMZTTIU-UHFFFAOYSA-N 314.386 -0.623 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1C[C@H]1c1ccnn1C 1131636945 UQNRNQQKLGVNMY-YNEHKIRRSA-N 319.409 -0.080 30 20 DBED C[C@@H]1CC[C@@H](NC(=O)C2=CCOCC2)CN1CC(=O)NCC#N 1131981433 WHKOLOZXBPIWRC-TZMCWYRMSA-N 320.393 -0.058 30 20 DBED C=CCNC(=O)CNCCNC(=O)Cc1c(C)nn(C)c1C 1132036877 DHDQDKMQSPAEEF-UHFFFAOYSA-N 307.398 -0.413 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)c1ccnn1C)NCC(=O)NCC#N 1133870374 CMYZBMQNMSKGNY-WDEREUQCSA-N 306.370 -0.454 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)Cc1cnn(C)c1 1133893872 VGIKFQRQWCELLF-QWHCGFSZSA-N 319.409 -0.415 30 20 DBED COCC#CCNCCNC(=O)Cn1nnc2c1CCCC2 1133962096 CQTPHKHJMVFYSH-UHFFFAOYSA-N 305.382 -0.488 30 20 DBED C=CCN[C@H](C)C[C@H](C)NC(=O)CN(C)S(=O)(=O)N(C)C 1134351978 MRLZXNDLVJIBQH-NEPJUHHUSA-N 320.459 -0.217 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1ccnc(N(C)C)c1 1134606406 ZDUHMENASHTHFS-LBPRGKRZSA-N 317.393 -0.395 30 20 DBED C=CCNC(=O)CN1CCC2(C1)CN(C(=O)c1cnn(C)n1)C2 1148429856 DZPJACYSGFTDMV-UHFFFAOYSA-N 318.381 -0.735 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cc2c(cn1)OCCC2 1149300193 SEESCSCXEKWXNY-UHFFFAOYSA-N 316.361 -0.525 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H]1CN(CC(=C)C)CCCO1 1149589597 RRZGCYUKRYRNDF-CQSZACIVSA-N 307.394 -0.091 30 20 DBED C#CCC1(C(=O)NC[C@@H]2CN(CC(N)=O)CCCO2)CCC1 1149841532 FYKBOHFYHDRCDE-CYBMUJFWSA-N 307.394 -0.128 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@@H]1COc2ccccc2O1 1149843165 BKVXIPQECSGOCE-AWEZNQCLSA-N 317.345 -0.718 30 20 DBED C=CCN1CC[C@H](N(CC)[C@H](C)CNC(=O)CNC(C)=O)C1=O 1151591119 BHBJWMTZNIRCPU-OCCSQVGLSA-N 324.425 -0.264 30 20 DBED C#CCN1CCC(C(=O)NCCNCc2nonc2C)CC1 1152334419 FPWAJHRRTDZEFC-UHFFFAOYSA-N 305.382 -0.071 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)[C@@H](OC)C1CC1 1153078904 OWLYFXBZLBYYHR-RISCZKNCSA-N 310.398 -0.122 30 20 DBED COCCCNC(=O)CNCCCNC(=O)CSCC#N 1154803342 ZBZPZEDAYZBHRY-UHFFFAOYSA-N 316.427 -0.508 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)c1cncnc1C 1155075004 DVHUGZNFMQYOOX-LBPRGKRZSA-N 303.366 -0.368 30 20 DBED CCN(CC#N)[C@H](C)CNC(=O)Cn1nc2n(c1=O)CCCC2 1156241016 VCXVRNJURMJRSX-GFCCVEGCSA-N 320.397 -0.269 30 20 DBED CCNC(=O)NC(=O)CNCCCNC(=O)c1cc(C#N)c[nH]1 1156296275 KXANZYXDHNGZCK-UHFFFAOYSA-N 320.353 -0.558 30 20 DBED CC#CCN(CC)[C@H](C)CNC(=O)Cn1nc(C)n(C)c1=O 1156682469 BDPFRPLIFYLNRT-GFCCVEGCSA-N 307.398 -0.260 30 20 DBED CC(C)(C)C#CC(=O)NCCCNCCN1C(=O)CNC1=O 1157727116 DDPUPBCJRPVQAQ-UHFFFAOYSA-N 308.382 -0.316 30 20 DBED CCc1ccnc(C(=O)NCCCNCC(=O)NCC#N)c1 1158683456 OCQOOFOCBXAIOV-UHFFFAOYSA-N 303.366 -0.007 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)CCS(C)(=O)=O 1161098413 JITUEIBFHPYHNE-LLVKDONJSA-N 319.427 -0.792 30 20 DBED C#CCNC(=O)CNCC1(CCNC(=O)[C@@]23COC[C@@H]2C3)CC1 1164586639 WMOYMXIHOMHVNF-GUYCJALGSA-N 319.405 -0.352 30 20 DBED C=CCNCC1(CCNC(=O)Cn2ccc(=O)n(C)c2=O)CC1 1165332298 GXIXCNKLHJLZNV-UHFFFAOYSA-N 320.393 -0.391 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NCCCN[C@@H]1CCN(C)C1=O 1167678060 QFTDSEJTTIDHEC-KGLIPLIRSA-N 324.425 -0.216 30 20 DBED C=CCNC(=O)CNCCCC[C@H](C)NC(=O)Cn1cnnn1 1169046457 XZQMXPSLVSQKIC-LBPRGKRZSA-N 323.401 -0.760 30 20 DBED C=C(C)CCNCCCNC(=O)[C@@H](C)NC(=O)Cn1cnnn1 1170783932 BFSFJRSWUQRWHL-GFCCVEGCSA-N 323.401 -0.760 30 20 DBED C#CCNC(=O)CNCCCC[C@H](C)NC(=O)Cc1ncc[nH]1 1175880916 HCHDZFUSWKYFJY-ZDUSSCGKSA-N 319.409 -0.034 30 20 DBED C#CCNCCCC[C@@H](C)NC(=O)CN1C(=O)CN(C)C1=O 1176487702 VDDMBVGWJVOVSO-GFCCVEGCSA-N 308.382 -0.222 30 20 DBED N#CCN1CCO[C@H]2CCN(C(=O)CCCCNC(N)=O)C[C@H]21 1177042483 PUPOVWCDMCZXIY-OLZOCXBDSA-N 323.397 -0.350 30 20 DBED C=CCN1CCO[C@H]2CCN(C(=O)CS(=O)(=O)CC)C[C@H]21 1177149840 DFQRYWAKKAFLKG-OLZOCXBDSA-N 316.423 -0.091 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)CCc1cn(C)nn1 1177517579 VCLFYAOOUXFXFZ-GFCCVEGCSA-N 322.413 -0.466 30 20 DBED CC#CCN[C@H]1CCN(C(=O)CN(C)S(C)(=O)=O)[C@H]1C 1178822029 JFDDHBJEKIYXEY-RYUDHWBXSA-N 301.412 -0.520 30 20 DBED CCCc1n[nH]cc1C(=O)N1CC[C@@H](NCC(=O)NCC#N)C1 1183883687 CKENRPPURNZFJA-LLVKDONJSA-N 318.381 -0.194 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2cnc(Cl)n2C)C1 1184237952 FAXGNNNGTOZTPR-SNVBAGLBSA-N 323.784 -0.373 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)[C@H]2CCCCO2)C1 1189651212 GCMREPJZAHSYHF-ZIAGYGMSSA-N 307.394 -0.162 30 20 DBED COCC#CCN(C)[C@@H]1CCN(C(=O)[C@]2(C)CCNC2=O)C1 1192326571 SCITVWOUMRINHX-CZUORRHYSA-N 307.394 -0.305 30 20 DBED CCN1CCO[C@H](C(=O)N2CC[C@H](N(C)CC#CCOC)C2)C1 1194154032 JFEMBEYXGLUYSD-HOTGVXAUSA-N 323.437 -0.110 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)c2cncnc2C)CC1 1199445192 NCTUKILHNYDTBI-UHFFFAOYSA-N 315.377 -0.271 30 20 DBED CC(C)C#CC(=O)N1CCCO[C@H](CN[C@H]2CCNC2=O)C1 1200461055 FFELKHABSIOZLQ-KGLIPLIRSA-N 307.394 -0.259 30 20 DBED C#CCNC[C@H]1CN(C(=O)[C@@H](NC(N)=O)C(C)(C)C)CCCO1 1201871375 JMNQIRUGAZPYGR-QWHCGFSZSA-N 324.425 -0.090 30 20 DBED N#CCNCC1CCN(C(=O)[C@@H]2Cc3cncn3C(=O)N2)CC1 1205746382 JQFGQRUYAZSAPQ-ZDUSSCGKSA-N 316.365 -0.283 30 20 DBED C=CCn1cc(C(=O)N2CCC(CN[C@H](C)C(N)=O)CC2)nn1 1206516605 ZFYAOEFKVZFQLA-LLVKDONJSA-N 320.397 -0.220 30 20 DBED C#CCN1C[C@@H](NC(=O)CN(C)CC(=O)NC(C)C)[C@H](C)C1 1207865602 KKZMEFPIOXGLIR-ZIAGYGMSSA-N 308.426 -0.488 30 20 DBED CC#CCN1C[C@@H](NC(=O)CS(=O)(=O)CCC)[C@H](OC)C1 1213875754 RQDQZENMUCOFQX-CHWSQXEVSA-N 316.423 -0.350 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN([C@H](CC)C(N)=O)C[C@H]1OC 1213963874 NDTGECVXMZCEBJ-JHJVBQTASA-N 313.398 -0.342 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)Cn2cccn2)C[C@H]1C 1214140139 ZGRYCSWPRXQICU-HZSPNIEDSA-N 317.393 -0.543 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)CNC(=O)CCC)C[C@H]1C 1214252651 RANSUUFOTXWXKN-CHWSQXEVSA-N 322.409 -0.911 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)c2nn(C)cc2C)C[C@H]1C 1214587563 KYGPJXPNXPITJW-DGCLKSJQSA-N 317.393 -0.472 30 20 DBED CC(C)CC1(C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@@H]2O)CC1 1219777113 YGKPIUFMDPUFME-OLZOCXBDSA-N 322.409 -0.386 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)CS(=O)(=O)C2CCCC2)C1 1219891749 BSJXMZUPTVEGFF-OLZOCXBDSA-N 316.423 -0.309 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)CCc2cn(C)nc2C)C1 1220476394 FRPGXFOGNNNJTN-CABCVRRESA-N 304.394 -0.154 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@@H]2CN(C(=O)CCOC)[C@@H]2C1 1221222746 ZMTUTDSMFKDZJY-BFHYXJOUSA-N 307.394 -0.307 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)CCCOC)[C@@H]2C1 1221318507 QAMVRHOICIJPQE-ZIAGYGMSSA-N 307.394 -0.305 30 20 DBED C#CCO[C@H](C)C(=O)NCC1CCN([C@H](C)C(=O)NC)CC1 1223182403 DGRQRADQVBICBI-CHWSQXEVSA-N 309.410 -0.013 30 20 DBED C[C@@H](C#N)C(=O)NC1CCN(CCN2C(=O)CCC2=O)CC1 1226647657 CVXTZYGBRVRIBY-NSHDSACASA-N 306.366 -0.124 30 20 DBED Cn1nnc(C(=O)NCCCN(CC#N)Cc2cccnc2)n1 1230818559 WBVJIJQTVPQZLF-UHFFFAOYSA-N 314.353 -0.249 30 20 DBED C[C@@H](OCC1CC1)C(=O)N(C)C[C@@H]1CCN1CC(=O)NCC#N 1231084874 GNKSOJYJGDKOCU-OCCSQVGLSA-N 322.409 -0.026 30 20 DBED C#CCNC(=O)CC(=O)N(C)C[C@H]1CCN1Cc1ccon1 1233810967 SUBMWXGBEPOARS-CYBMUJFWSA-N 304.350 -0.153 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)C1=CCOCC1 1233839010 ZOLFXEAHOSWBPP-AWEZNQCLSA-N 305.378 -0.385 30 20 DBED CN(C[C@H]1CCN1[C@@H]1CCC(=O)NC1=O)C(=O)C#CC1CC1 1234179954 YUSOEHXEMPYAHZ-CHWSQXEVSA-N 303.362 -0.262 30 20 DBED C=CCN1CC[C@H](N(C)CC(=O)N2CCC(C(N)=O)CC2)C1=O 1321171419 XOIZQBFCKNWGRK-ZDUSSCGKSA-N 322.409 -0.571 30 20 DBED N#CCCCC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 1325996433 QTCNCJKOSUQPPR-NEPJUHHUSA-N 315.395 -0.706 30 20 DBED Cc1cc(NC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)cn(C)c1=O 1326088884 ZZYNSDAOEFCJJE-HNNXBMFYSA-N 318.333 -0.491 30 20 DBED C#CC1CCN(C(=O)C(=O)NCC2(N3CCOCC3)CC2)CC1 1326918297 GFGRZJYIWLSPQV-UHFFFAOYSA-N 319.405 -0.161 30 20 DBED Cc1cc(NC(=O)CN(CC#N)S(=O)(=O)N(C)C)n(C)n1 1329944395 GNUSNVQEIDSHFM-UHFFFAOYSA-N 314.371 -0.701 30 20 DBED CS(=O)(=O)N1CCC(CC(=O)OCC(=O)NCC#N)CC1 1329975874 ACVMKSSWOZABRO-UHFFFAOYSA-N 317.367 -0.769 30 20 DBED C=CCCSCCNC(=O)C(=O)NCCS(=O)(=O)NC 1334072619 QQZBMBQUGDQKHT-UHFFFAOYSA-N 323.440 -0.923 30 20 DBED C[C@]1(C(N)=O)CCN(C(=O)C(=O)NCc2ccc(C#N)cc2)C1 1341411127 VWUHMLFSQKLDRL-INIZCTEOSA-N 314.345 -0.102 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CC(OCCOC)C1)[C@H]1CCCO1 1343079247 HFNMJKLRSLCJJY-QWHCGFSZSA-N 310.350 -0.843 30 20 DBED CN1C(=O)CC[C@H](NC(=O)C(=O)N2CCC(C)(C#N)CC2)C1=O 1345710860 BNMBOSJZGREYGP-JTQLQIEISA-N 320.349 -0.598 30 20 DBED CC#CCCNC(=O)C(=O)NCCS(=O)(=O)C(C)(C)C 1346326841 LJXKAKBVFGMJSO-UHFFFAOYSA-N 302.396 -0.155 30 20 DBED Cn1c(=O)[nH]c(N[C@H](CO)Cc2ccccc2)c(C#N)c1=O 1364179034 BIZFFCQPHMLUDK-NSHDSACASA-N 300.318 -0.039 30 20 DBED Cc1nn(CC(=O)N2CCCC[C@@H]2C(N)=O)c(=O)c(C#N)c1C 1364592112 KCUCKLDXEFTUPP-GFCCVEGCSA-N 317.349 -0.402 30 20 DBED CNC(=O)NCC(=O)N(C)CC(C)(C)CNC(=O)[C@@H](C)C#N 1380562430 MYNUMZPGGXQUTD-JTQLQIEISA-N 311.386 -0.324 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@@H](CNC(=O)c2cnn(C)c2N)C1 1384946262 MXSYIDDYLWYGIU-LPEHRKFASA-N 304.354 -0.213 30 20 DBED C[C@H](C#N)C(=O)NCCN(C(=O)c1cnn(C)c1N)C1CC1 1388679134 SNKRFZMOLKMEMC-SECBINFHSA-N 304.354 -0.117 30 20 DBED COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1 1401530691 JEQBSMCGWBLGEZ-MNOVXSKESA-N 320.353 -0.396 30 20 DBED CN(C)C(=O)CNC[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCO1 1402587419 AFZOUXRJFFAANO-GFCCVEGCSA-N 319.365 -0.595 30 20 DBED CC(=O)N1CC(C(=O)NC[C@H](NC(=O)[C@H](C)C#N)C(C)C)C1 1409863818 JAVAGRXRWLZMFC-MFKMUULPSA-N 308.382 -0.119 30 20 DBED C[C@H]1CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)C[C@@H]1O 1417699727 MVRLPYJTEOHDRS-ONGXEEELSA-N 306.322 -0.560 30 20 DBED N#Cc1cn(CCC(=O)N2CC3(CCOCC3)C2)c(=O)nc1O 1417709549 HOOZSBCYEYXWLL-UHFFFAOYSA-N 318.333 -0.150 30 20 DBED C=C(Cl)CNC[C@H](O)CNC(=O)[C@@H]1CCCCS1(=O)=O 1420138591 LNQOQWBBRKBXSY-QWRGUYRKSA-N 324.830 -0.227 30 20 DBED C=C(Cl)CN1CC[C@](O)(CNC(=O)[C@H]2CCCC(=O)N2)C1 1421372495 VUGAVYLMFPEXNK-RISCZKNCSA-N 315.801 -0.039 30 20 DBED C[C@@H](CNCc1nnc2n1CCOC2)CNC(=O)[C@@H](C)C#N 1421673828 IHODHPWOVKOZPO-QWRGUYRKSA-N 306.370 -0.190 30 20 DBED N#CCCN(CCC#N)C(=O)c1cn(C[C@H]2CNC(=O)O2)nn1 1433621957 XMADMVQXCSCDTE-SNVBAGLBSA-N 317.309 -0.344 30 20 DBED C=C(Cl)CN[C@@H](CNC(=O)CS(=O)(=O)NC)C1CC1 1441250715 DXJUOGPDVLAOJN-JTQLQIEISA-N 309.819 -0.228 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)c2nc3ncccn3n2)CC1 1459093020 AKNFGNIYYMZHEN-SECBINFHSA-N 313.321 -0.337 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)CCc2ncccn2)C1 1490847870 KVLZYODDUOYJBZ-ZDUSSCGKSA-N 317.393 -0.098 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)c2ccc(C(N)=O)cn2)CC1 1506191882 SYKJOOFVZVSADK-VIFPVBQESA-N 315.333 -0.281 30 20 DBED C#CC[C@H](CO)NC(=O)NC[C@@H](N1CCNCC1)C(F)(F)F 1574505482 WLWATFBQKLFKMN-GHMZBOCLSA-N 322.331 -0.494 30 20 DBED C[C@@H](NC1CC1)C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1576235530 WKSBEUNIWMLDNF-MRVPVSSYSA-N 303.322 -0.656 30 20 DBED C#CCN(CC(=O)O)C(=O)C(=O)Nc1cn(C)c(=O)cc1C 1588397454 ISHJYURZXHROOO-UHFFFAOYSA-N 305.290 -0.821 30 20 DBED N#Cc1nc(NC(=O)[C@@H]2CCCN2C=O)[nH]c1-c1nn[nH]n1 1592683706 XDRLMOZOFTXOHL-ZETCQYMHSA-N 301.270 -0.979 30 20 DBED C#C[C@H]1CC[C@H](NC(=O)Cn2cnc(-c3nn[nH]n3)n2)CC1 1602735948 XYJSUOHMYBDOQU-MGCOHNPYSA-N 300.326 -0.234 30 20 DBED C=CCOCCNC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)cn1 1602871526 ULKQHDZXLGFVRT-UHFFFAOYSA-N 317.309 -0.481 30 20 DBED C=CCOCC(=O)NC1(CC(=O)O)CCS(=O)(=O)CC1 1602906332 DTUYGPSXBQKKOL-UHFFFAOYSA-N 305.352 -0.273 30 20 DBED C[C@@H](O)c1cn(CC(=O)N2CCC(C#N)(C(=O)O)CC2)nn1 1604389473 UVKXSMLLTNYCCU-SECBINFHSA-N 307.310 -0.452 30 20 DBED Cc1onc(CC(=O)N2C[C@H]3COC[C@@]3(C(=O)O)C2)c1C#N 1605459854 AVGSQSNMQGFDNC-XPTSAGLGSA-N 305.290 -0.043 30 20 DBED N#CCNC[C@H]1CCCN1C(=O)[C@H]1CCc2nnc(O)n2C1 1699751411 BTCURYVCPBWHCO-WDEREUQCSA-N 304.354 -0.350 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC(CNC(=O)[C@@H]2CCCCN2C)C1 1714968476 WGKPUPQTGQBOPQ-HIFRSBDPSA-N 320.437 -0.343 30 20 DBED C#CCNC(=O)CN[C@H](CNC(=O)c1cccnc1)C1CC1 1752444502 IECMINKBXLZHAB-CQSZACIVSA-N 300.362 -0.071 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H](C)CNC(=O)Cc1ccn(C)n1 1752872814 KPHDTXVOQWXOQV-RYUDHWBXSA-N 307.398 -0.252 30 20 DBED C=CCN1CC[C@H](N(C)CCNC(=O)c2cnn(CC)n2)C1=O 1753048183 IWYFWNNWWYBHKP-ZDUSSCGKSA-N 320.397 -0.254 30 20 DBED Cc1nc(C(=O)N(C)[C@@H]2CCN(CC(=O)NCC#N)C2)co1 1753435386 RDQUDDAFBNFENJ-LLVKDONJSA-N 305.338 -0.231 30 20 DBED C[C@@H](CNCC(=O)NCC#N)CNC(=O)[C@H]1C[C@@H]1C(F)F 1753610898 LUPUWSKMHLEODT-GUBZILKMSA-N 302.325 -0.131 30 20 DBED COCC#CCNCC[C@@H](C)NC(=O)C1CS(=O)(=O)C1 1753968393 MISAKSBXOLKTGG-LLVKDONJSA-N 302.396 -0.835 30 20 DBED CO[C@H](C(=O)N[C@H](C)CNCC(=O)NCC#N)C1CCCC1 1754252823 LPPVANKWTFESIN-RISCZKNCSA-N 310.398 -0.074 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C1CN([C@H]2CCN(CC)C2=O)C1 1754575702 YTWDOAOVUGXOCU-OCCSQVGLSA-N 307.394 -0.212 30 20 DBED C#CCN(C(=O)Cn1ccnc1)C1CCN([C@@H](C)C(N)=O)CC1 1754642887 CMONGEYNHIJQBS-ZDUSSCGKSA-N 317.393 -0.317 30 20 DBED C=CCNC[C@H]1CN(C(=O)CN2CCN(C)C(=O)C2)C[C@H]1C 1754818302 IPJSRALMAWXFRG-KGLIPLIRSA-N 308.426 -0.370 30 20 DBED CC[C@@H](F)C(=O)N[C@]1(CO)CCCN(CC(=O)NCC#N)C1 1754858332 YQQMRXZVSKTXCU-BXUZGUMPSA-N 314.361 -0.683 30 20 DBED C#CCNC1(C)CCN(C(=O)CN2CCN(C)C(=O)C2)CC1 1755130787 RGOWMKOKWGIWRZ-UHFFFAOYSA-N 306.410 -0.636 30 20 DBED C#CCN(C)C[C@@H]1CCCN1C(=O)CCn1ncn(C)c1=O 1755195911 AGKCWRHNIRFJCX-ZDUSSCGKSA-N 305.382 -0.472 30 20 DBED C#CCNC(=O)CN(C)[C@H](C)CNC(=O)c1cc(OC)ns1 1755299538 CRPMIKCDQACBEU-SNVBAGLBSA-N 324.406 -0.049 30 20 DBED C#CCNC(=O)CN[C@H](C)CN(C)C(=O)c1cc(OC)ns1 1755587804 LEMNVZDNBGOQCV-SNVBAGLBSA-N 324.406 -0.049 30 20 DBED COCC#CCN[C@@H](CO)CNC(=O)CCc1nc(C)no1 1755635929 WGORJDSSXJHOHZ-GFCCVEGCSA-N 310.354 -0.973 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)Cc2nonc2C)[C@@H]1C 1755665470 WWVKSMJRKUXEDD-NEPJUHHUSA-N 319.365 -0.751 30 20 DBED CC(C)C(C)(C)C(=O)N(C)C[C@H](O)CNCC(=O)NCC#N 1755780507 IBTCVNNJAVAAMN-GFCCVEGCSA-N 312.414 -0.283 30 20 DBED CN(C[C@H](O)CNCC#N)C(=O)c1nc[nH]c1C(F)(F)F 1755782523 XGIIFKPXWDDDGL-SSDOTTSWSA-N 305.260 -0.025 30 20 DBED C=CC(C)(C)C(=O)N(C)C[C@@H](O)CN(C)Cc1nnnn1C 1755804630 OKSPXLUUEOXRNW-NSHDSACASA-N 310.402 -0.327 30 20 DBED CNS(=O)(=O)CC(=O)N[C@H](C)C1CCN(CC#N)CC1 1755846015 ITNZNNBQJSCDID-SNVBAGLBSA-N 302.400 -0.724 30 20 DBED C[C@H](NC(=O)CCN(C)C)C1CCN(CC(=O)NCC#N)CC1 1755850890 QZDBKNBZKUZYGX-ZDUSSCGKSA-N 323.441 -0.205 30 20 DBED Cc1cc(OCC(=O)N[C@@H](CO)CNC(=O)C#CC2CC2)no1 1756519939 QVMVFNWFNVGLRX-GFCCVEGCSA-N 321.333 -0.631 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H](CO)NC(=O)c1cnccc1C 1756521093 JQAKWVXWOVUJNK-QWHCGFSZSA-N 319.361 -0.365 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)CCN(C)C 1756549807 GSDRIGDTHXFKDV-XQQFMLRXSA-N 313.398 -0.878 30 20 DBED C[C@@H]1C[C@@H](NC(=O)C#CC2CC2)CN1C(=O)c1cn(C)nn1 1756588156 OCPVULCKXSVBIQ-ZYHUDNBSSA-N 301.350 -0.052 30 20 DBED C=CCOCC(=O)NC[C@H](O)CN(C)C(=O)c1n[nH]cc1C 1756662333 KDUYZWSZULZYAK-NSHDSACASA-N 310.354 -0.530 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@@H]1O 1757171499 UXQCJCHPAKLCJK-ZNMIVQPWSA-N 321.421 -0.325 30 20 DBED C=CCO[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C(O)O)C2 1793579529 DMFVGIQIZSJETI-WISYIIOYSA-N 312.366 -0.474 30 20 DBED N#CC1(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)COCCO)CC1 1800146761 VLWUJKXIJWNCRX-CLLJXQQHSA-N 321.377 -0.063 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)CCC(N)=O)C1 1845992946 SPCLJVRNGOOXGS-LBPRGKRZSA-N 321.377 -0.506 30 20 DBED C[C@H](CN1CCOCC1)Nc1c(C#N)c(=O)n(C)c(=O)n1C 52208497 XTHICRGLFZSINJ-SNVBAGLBSA-N 307.354 -0.912 30 20 DBED COCCN1CCN(CC(=O)N[C@@](C)(C#N)C2CC2)CC1=O 91832022 BYFHTRWHEMHMTI-HNNXBMFYSA-N 308.382 -0.415 30 20 DBED COCCN1CCN([C@@H](C(N)=O)c2ccc(C#N)cc2)CC1=O 91835476 XUHQLJAIOWJNKF-OAHLLOKOSA-N 316.361 -0.125 30 20 DBED C#CCCN1CCN([C@H](C)C(=O)N2CCN(C(C)=O)CC2)CC1 127253083 LWVJNCIEBQCKED-OAHLLOKOSA-N 320.437 -0.294 30 20 DBED C#CCN1CCN(C(=O)CN2CCOC[C@H]2C[C@@H](C)O)CC1 157153498 ZYBKPMKMMGLIJS-HUUCEWRRSA-N 309.410 -0.765 30 20 DBED COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(C#N)nc2)CCO1 169099273 OCDBFZWCZNCHEI-LLVKDONJSA-N 311.319 -0.484 30 20 DBED Cc1ccn(CC(=O)NCC(=O)N2CCCC2)c(=O)c1C#N 185034649 PXESECFWVNLFFB-UHFFFAOYSA-N 302.334 -0.233 30 20 DBED CNS(=O)(=O)CCNS(=O)(=O)c1ccc(C#N)cc1C 221085053 HCAHCVHQERAXMT-UHFFFAOYSA-N 317.392 -0.306 30 20 DBED C/N=C(/NCCN1C(=O)CNC1=O)NC[C@]1(C)CCCS1 261959964 JYVXQQDFCIJOIH-ZDUSSCGKSA-N 313.427 -0.011 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H](C)C[C@H](C)O)C1=O 265892071 QLSVEECTYUWTTE-ZJUUUORDSA-N 311.338 -0.514 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cnc(CC)nc2)C1=O 269528655 POQWURMOUODBRS-UHFFFAOYSA-N 317.305 -0.046 30 20 DBED C#CCNC(=O)c1ccc(N2CCN(C(=O)[C@H](C)O)CC2)nc1 270761581 DIBOFWQUZVEGFN-LBPRGKRZSA-N 316.361 -0.526 30 20 DBED CN1C(=O)[C@]2(CCN(/C(O)=N/C[C@@H]3CCCN3C)C2)N=C1O 329236139 JGKWEOIFDSNABH-IINYFYTJSA-N 309.370 -0.175 30 20 DBED CN(C)c1noc(C/N=C(/O)N2CCN3C(O)=NC[C@H]3C2)n1 329610186 NQNPWZGHRKFKBS-QMMMGPOBSA-N 309.330 -0.537 30 20 DBED CC[C@H](O)CN1CCN(S(=O)(=O)N(C)C[C@@H](C)C#N)CC1 330370339 FCZWHJWTBNEROG-STQMWFEESA-N 318.443 -0.289 30 20 DBED CC/N=C(/O)NC(=O)[C@H](C)N1CCC[C@H](O)[C@H]1C(=O)OC 331282352 DAYFPEZSVJBKKT-GUBZILKMSA-N 301.343 -0.577 30 20 DBED C/N=C(/O)NCC(=O)N1CCN(CCC(=O)OC)[C@@H](C)C1 331293005 BUMKXVJNTQPVNR-JTQLQIEISA-N 300.359 -0.784 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N1CC(OCC(=O)N(C)C)C1 332053796 OABWIWKMBZLDGO-JTQLQIEISA-N 318.399 -0.746 30 20 DBED N#C[C@H]1CN(S(=O)(=O)NC[C@H]2CCN(C3CC3)C2)CCO1 336909759 HGKODGJUIFXWAF-YPMHNXCESA-N 314.411 -0.471 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N2C[C@@H]3[C@@H](C2)[C@H]2CC[C@H]3O2)CCO1 337084990 CZECIMXGBBOGGJ-SYLRKERUSA-N 313.379 -0.435 30 20 DBED CC(C)n1cc(C#N)c(NC(=O)C(=O)N[C@@H](C)C[C@@H](C)O)n1 340851827 IYHGQJITHLQLEV-VHSXEESVSA-N 307.354 0.550 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N1CCCN([C@H](C)CO)CC1 346663969 XKNSHDMENIUBPS-CHWSQXEVSA-N 312.414 -0.225 30 20 DBED CC(C)CN1CCO[C@@H](CNC(=O)NCC(=O)NCC#N)C1 358316598 SGMKQCOEMRUBFF-LBPRGKRZSA-N 311.386 -0.718 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)C2(C(=O)OC)CC2)CC1 368433617 HIMADRSQBFCJSG-UHFFFAOYSA-N 321.377 -0.777 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N(C)CC1(O)CCOCC1 407972691 GVUTXOFESSZIJI-NSHDSACASA-N 305.400 -0.062 30 20 DBED C[C@@H]1CN(CC(C)(C)O)CCN1S(=O)(=O)N(C)CCC#N 408438346 HMEFZTJYGGOALR-GFCCVEGCSA-N 318.443 -0.146 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CCN[C@H](C)C2)C1=O 423491907 KSBLQFMSWPTTRO-NEPJUHHUSA-N 308.382 -0.948 30 20 DBED C=CCn1cc(CNS(=O)(=O)c2cc(C(N)=O)n(C)c2)nn1 425182180 ZBKLFVPICJPPBD-UHFFFAOYSA-N 324.366 -0.620 30 20 DBED COc1cc(C#N)ccc1OCC(=O)NCc1nnn(C)n1 490698062 AITUMOFAOMDGGV-UHFFFAOYSA-N 302.294 -0.214 30 20 DBED C#C[C@H](CC)NC(=O)N1CCN(C(=O)C(=O)NC(C)C)CC1 491783037 NBPDBKZPKIMQLT-GFCCVEGCSA-N 308.382 -0.223 30 20 DBED COc1cc(C#N)ccc1NC(=O)C(=O)NCCNC(C)=O 517064752 UYUQNHMDGRXXDY-UHFFFAOYSA-N 304.306 -0.242 30 20 DBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)NC[C@H]1COCCO1 543753439 QPEWJDRVNBAZEV-JTQLQIEISA-N 322.369 -0.147 30 20 DBED C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccn(C)n1 565478025 WWKSCYFPYMEMKI-JTQLQIEISA-N 319.408 -0.216 30 20 DBED CN(CCC#N)S(=O)(=O)N1C[C@H](C(=O)O)[C@@]2(CCOC2)C1 578110615 WKXIXSSMBBLNHR-PWSUYJOCSA-N 317.367 -0.500 30 20 DBED N#CCc1ccc(OC[C@H](O)CN2C[C@@H](CO)[C@@H](O)C2)cc1 595539461 NDUGTVTZTFNVMZ-LZWOXQAQSA-N 306.362 -0.223 30 20 DBED CN(C(=O)NCC(=O)NCC#N)[C@H](CO)Cc1ccccc1 596599268 QHALVRBVFHHGHN-ZDUSSCGKSA-N 304.350 -0.129 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(C2CC2)[C@H](C)C#N)C1=O 598129424 HPNNCFROYSGTBX-SECBINFHSA-N 304.306 -0.134 30 20 DBED C=C[C@](C)(O)C(=O)NC[C@@H](COC)NC(=O)[C@@](C)(O)C=C 613787849 IAQRKAUBUNZDBJ-BPNCWPANSA-N 300.355 -0.892 30 20 DBED N#CCNC(=O)COC(=O)CCN1C(=O)NC2(CCCC2)C1=O 731239828 UEANHQFANKDDKH-UHFFFAOYSA-N 322.321 -0.576 30 20 DBED C#CCOCCNC(=O)N[C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O 784550009 LWQBKWJXXCGIGM-WCQYABFASA-N 319.365 -0.137 30 20 DBED C=CCOC[C@@H]1NC(=O)N(C[C@H]2CN3CCC[C@H]3CO2)C1=O 804155594 YLGGJWQUKYGVMN-XQQFMLRXSA-N 309.366 -0.027 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@@H]1CN(CC)CCO1 805475909 FJWZZVLFVSPPMK-QWRGUYRKSA-N 313.354 -0.349 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@@H]1CCN(C)[C@H](C)C1)[C@H]1CCCO1 806041951 LZFIEKWUWPNNRY-YIYPIFLZSA-N 307.394 -0.118 30 20 DBED C#CCN1CCC(C(=O)N(CCNC(C)=O)[C@H](C)C(=O)O)CC1 819700796 ITFIXDQKLMYDRI-GFCCVEGCSA-N 323.393 -0.231 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)CCCC#CC)CC1 831568684 OTKOWXHBZBSLOW-UHFFFAOYSA-N 311.407 -0.208 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](F)C(C)C)CC1 831569168 ZZOPGLJDICUCHZ-LLVKDONJSA-N 305.375 -0.408 30 20 DBED C#C[C@H](NC(=O)c1cc(S(N)(=O)=O)ccc1O)[C@@H]1CCCO1 832412509 QPNYHESWRPUAMB-AAEUAGOBSA-N 324.358 -0.050 30 20 DBED C#CC[C@@H](CCOC)NC(=O)N[C@H]1CCN(S(C)(=O)=O)C1 858585629 LJKHOPIARKMEDT-RYUDHWBXSA-N 317.411 -0.252 30 20 DBED C=C(C)C[C@@H](NC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)C(=O)O 864186958 ARJUIQDJFIKCTB-MVIFTORASA-N 321.333 -0.367 30 20 DBED C=C[C@@H](C(=O)OC)n1cc(CN2CCS(=O)(=O)CC2)nn1 881322558 ZPYKKBVREPJOKW-NSHDSACASA-N 314.367 -0.591 30 20 DBED C#CC1(O)CN(C(=O)NC[C@@H](N2CCOCC2)C(F)(F)F)C1 894810319 DMPNBEDDQUYZPC-SNVBAGLBSA-N 321.299 -0.361 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCN(C)C(C)(C)C1)[C@@H]1CCCO1 898003872 SEYAQYSYLUAJRL-STQMWFEESA-N 307.394 -0.164 30 20 DBED C=CCCC[C@H](N)C(=O)N1CCN(C(=O)C(=O)NC(C)C)CC1 912157467 YYSYNNZDOYEXET-ZDUSSCGKSA-N 324.425 -0.135 30 20 DBED CN(C)CC#CCNC(=O)c1cc(S(N)(=O)=O)ccc1F 913515324 RXDUXTFDSLKLQA-UHFFFAOYSA-N 313.354 -0.232 30 20 DBED C#CCN1CCC[C@@H](NC(=O)[C@H](C)NS(=O)(=O)CC)C1 923559092 FBCPTMGELXQCEV-NWDGAFQWSA-N 301.412 -0.472 30 20 DBED CS(=O)(=O)NCC[C@H]1CCCCN1C(=O)NCC#CCO 923785365 JHZNYLCUPWDFSX-GFCCVEGCSA-N 317.411 -0.515 30 20 DBED O=C(NCC#CCO)NCc1ccnc(N2CCOCC2)c1 923787510 MLULPTYGLCLAMA-UHFFFAOYSA-N 304.350 -0.287 30 20 DBED C[C@@H](C#N)C(=O)N1CCCN(C(=O)CCc2nc[nH]n2)CC1 940666121 FIHVXSMGRRDGBX-NSHDSACASA-N 304.354 -0.042 30 20 DBED CCN1CCO[C@H](C(=O)N[C@@H]2CCN(C(=O)C#CC3CC3)C2)C1 940794412 TUHNYPDETCQZOC-CABCVRRESA-N 319.405 -0.162 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](NC(=O)c2ccc(=O)n(C)n2)C1 942457380 MDCLKOORMIFWRS-VHSXEESVSA-N 303.322 -0.729 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCN(C(=O)C3(C(N)=O)CC3)CC2)C1 945033414 NURFCIGTYULYGJ-LLVKDONJSA-N 318.377 -0.137 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]1CNC(=O)c1ccc(C(N)=O)nc1 950823747 HVDXWNMNZACPSX-ONGXEEELSA-N 315.333 -0.329 30 20 DBED CC#CCN1C[C@H](O)[C@H](CNC(=O)c2cnc(N(C)C)cn2)C1 958068209 GBIGRKLYRKKHMS-OCCSQVGLSA-N 317.393 -0.412 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCCO3)C[C@@H]2O)[nH]1 962328846 NFVRUWGNNSROLZ-AGIUHOORSA-N 318.333 -0.633 30 20 DBED Cc1nccc(C(=O)NC[C@H]2COCCN2C(=O)[C@@H](C)C#N)n1 964196660 JKYCHCLMSSOPNM-JQWIXIFHSA-N 317.349 -0.098 30 20 DBED C#CCNC1CC2(C1)CC(NC(=O)[C@H]1COCCN1C(C)=O)C2 965925343 LCWQFIJMQLUOHP-UKEPKTAJSA-N 319.405 -0.116 30 20 DBED C#CCN1CC[C@H](C)[C@H](NC(=O)c2cnc(O)n(C)c2=O)C1 967701549 ORYVWKFQVHRZCX-CMPLNLGQSA-N 304.350 -0.441 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@]2(CN(Cc3nncn3C)CCO2)C1 972297975 OYOMDUZPANLSMP-DOMZBBRYSA-N 318.381 -0.222 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)[C@]3(C)CCNC(=O)C3)[C@H]2C1 976765313 YWRJVDHWSWQAHR-WHRSBTLBSA-N 318.377 -0.365 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)[C@@H]3CCN(C)C(=O)C3)[C@H]2C1 976795179 AUYZSOAIAGTTJV-SVPLCASGSA-N 318.377 -0.413 30 20 DBED CN(C[C@@H]1CCN1C(=O)c1ccc(C#N)[nH]1)C(=O)c1nc[nH]n1 978197831 WTWZNZSULLRGTN-JTQLQIEISA-N 313.321 -0.009 30 20 DBED N#Cc1c[nH]c(C(=O)NC2CN(C(=O)c3nccnc3N)C2)c1 990696390 SMLWQSVDMDFGMF-UHFFFAOYSA-N 311.305 -0.487 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](NC(=O)C(N)=O)CC2(CCOCC2)C1 991122306 IWEBSSOVYCMFQY-WDEREUQCSA-N 322.365 -0.855 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCN(C(=O)[C@@H]3CCC(=O)NC3)C2)C1 1019367118 QEHWIFCNTBDLJK-VXGBXAGGSA-N 318.377 -0.267 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CN(C(C)=O)CCCO1 1019612033 VYQUIRHPFDUBGG-CABCVRRESA-N 307.394 -0.162 30 20 DBED C#Cc1cncc(C(=O)N[C@H]2C[C@H](NCc3nnnn3C)C2)c1 1020567738 QBIMULQMXLVVRH-JOCQHMNTSA-N 311.349 -0.363 30 20 DBED CC(=O)N1CCOC[C@H]1C(=O)NC[C@H]1CCCN(CC#N)C1 1023757520 IRZRYLXALRFJFO-KGLIPLIRSA-N 308.382 -0.415 30 20 DBED Cn1nnnc1CNC[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 1026788824 NJESKWBMEAMWPJ-JTQLQIEISA-N 314.353 -0.338 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)C[C@@H]3CCNC3=O)C2)C1=O 1030434002 OYULWSPUNAPWCG-AAEUAGOBSA-N 320.393 -0.900 30 20 DBED C=CCn1cc(C(=O)N(CC)[C@H]2CCN(CC(N)=O)C2)nn1 1033980553 VHPPJLSRSODOSB-NSHDSACASA-N 306.370 -0.514 30 20 DBED CC#CCN1CCCC[C@@H](NC(=O)CN2C(=O)CNC2=O)C1 1034518918 ZGYNAGVQGZYWNG-GFCCVEGCSA-N 306.366 -0.468 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)[C@H]2CCCCS2(=O)=O)C1 1035391162 FQXDXXSHIMYFDR-QWHCGFSZSA-N 314.407 -0.596 30 20 DBED C[C@H]1CN(C(=O)CN2C(=O)NC(=O)C2(C)C)CC[C@H]1NCC#N 1036247978 QOFAEHLHNGEWPB-WDEREUQCSA-N 321.381 -0.333 30 20 DBED C=CCN1CC[C@H]2CN(C(=O)Cn3c(O)nnc3O)CC[C@@H]21 1036879397 MUKYJYLRQVPCEH-QWRGUYRKSA-N 307.354 -0.202 30 20 DBED CC(=O)N1CCC(=O)NCCN(c2ccnc(C#N)n2)CC1 1039660844 NBSUTXZYVCHTBL-UHFFFAOYSA-N 302.338 -0.477 30 20 DBED CC(C)C#CC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H](C)CC(N)=O)C1 1039665303 IRGKBNQZKGRWQJ-LRDDRELGSA-N 323.393 -0.763 30 20 DBED O=C(C#CC1CC1)NC[C@]1(O)CCN(C(=O)c2ccnnc2)C1 1039688773 PHAAVGMDDRSMEY-MRXNPFEDSA-N 314.345 -0.417 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@]1(O)CCN(C(=O)c2cn[nH]c2)C1 1039721079 HQVARCCRAZGVFT-XHDPSFHLSA-N 320.349 -0.859 30 20 DBED C=C1CCC(C(=O)N2CC[C@](O)(CNC(=O)C(N)=O)C2)CC1 1040742627 HLSYYMLZAFLEHC-HNNXBMFYSA-N 309.366 -0.702 30 20 DBED C=CCCOCC(=O)N1CC[C@@](O)(CNC(=O)[C@@H](C)C#N)C1 1040769318 KZGCFSXKWVTVFC-SWLSCSKDSA-N 309.366 -0.182 30 20 DBED N#Cc1cnccc1N1C[C@@H](O)[C@H](NC(=O)c2csnn2)C1 1041262250 DADSPENIEFZIAP-BXKDBHETSA-N 316.346 -0.216 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(O)(CNC(=O)c2cn[nH]c2)C1 1041657745 QWGJXFDURYYCRX-ZDUSSCGKSA-N 308.338 -0.960 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@@]23CCOC3)C1 1042046852 BHKAAQSQTFCALQ-SWLSCSKDSA-N 324.377 -0.695 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)c2cncc(OC)n2)C1 1043030543 CNCSJFJWNXZTHD-UHFFFAOYSA-N 320.349 -0.246 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)c2cc[nH]c2)C1 1043042714 UYSGLNKHVTWVAX-LLVKDONJSA-N 305.334 -0.644 30 20 DBED O=C(Cc1ccc[nH]1)NCC1(O)CN(C(=O)C#CC2CC2)C1 1043290941 IAOODWQBFDJGFA-UHFFFAOYSA-N 301.346 -0.340 30 20 DBED C=CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)[C@@H](C)COC)C1 1043570122 FZUCESJJOOCXDU-RYUDHWBXSA-N 314.382 -0.451 30 20 DBED C=CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)c2ncoc2C)C1 1043570441 IMAGCWMFUBJPIP-LLVKDONJSA-N 323.349 -0.123 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)[C@H]2C[C@H]3C=C[C@H]2O3)C1 1043619383 JVXSLUBVXTWMLC-HZSPNIEDSA-N 318.373 -0.321 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)CCc2ccccn2)C1 1043694012 FHBYJALOXAKJJJ-GFCCVEGCSA-N 316.361 -0.137 30 20 DBED C=CCN1CC[C@@H](N2CC(N(C)C(=O)c3ccn(C)n3)C2)C1=O 1044292613 XZQYRBPGRTUESE-CQSZACIVSA-N 317.393 -0.037 30 20 DBED N#Cc1nccc(N2C[C@H](O)[C@H](NC(=O)c3cc(F)c[nH]3)C2)n1 1044337245 LRBCLYMWXRCNKC-MNOVXSKESA-N 316.296 -0.205 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(c2ncc(F)cn2)C[C@@H]1O 1044559701 KSUQWHTXHFPCPS-NDBYEHHHSA-N 322.340 -0.128 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2nccs2)C1 1045243467 IWIFXYUQYWHYRJ-JTQLQIEISA-N 323.374 -0.516 30 20 DBED CCn1cc(C(=O)N2CC(O)(CNC(=O)[C@H](C)C#N)C2)c(C)n1 1045554227 ALIRPWIMPCIWDY-SNVBAGLBSA-N 319.365 -0.326 30 20 DBED N#Cc1ccc(N[C@H]2C[C@@H](CNC(=O)[C@@H]3CNC(=O)N3)C2)nn1 1046562524 SNRWLMCTRRLNQG-GDPRMGEGSA-N 315.337 -0.664 30 20 DBED C=C[C@H](CC)CC(=O)N1CC(O)(CNC(=O)Cc2nc[nH]n2)C1 1046909158 IAMFCBNZZGZWIQ-LLVKDONJSA-N 321.381 -0.361 30 20 DBED CC#CCN1C[C@H]2C[C@H](NC(=O)CN3CC(=O)NC3=O)C[C@H]1C2 1047162564 NXBVMLOWJQDLIW-RWMBFGLXSA-N 318.377 -0.469 30 20 DBED CN(C(=O)c1occ2c1CCOC2)[C@H]1CN(CC#N)C[C@@H]1O 1047470839 CNXHGWNMXYOISV-STQMWFEESA-N 305.334 -0.007 30 20 DBED CN(C(=O)c1cnc(C2CC2)nc1O)[C@H]1CN(CC#N)C[C@@H]1O 1047555642 KERKICXUUWXMJN-RYUDHWBXSA-N 317.349 -0.300 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2ncn(C)n2)C1 1048785098 CDHWILOOYPISIQ-RYUDHWBXSA-N 319.365 -0.882 30 20 DBED CN(C(=O)C#CC1CC1)[C@H]1CN(C(=O)c2cccnn2)C[C@@H]1O 1048824471 AXNJGSWVXPISAW-KBPBESRZSA-N 314.345 -0.466 30 20 DBED Cc1nonc1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C#CC2CC2)C1 1048828257 JQGFJURKYQLZFM-RYUDHWBXSA-N 318.333 -0.565 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2nocc2C)C1 1049542427 LDQNQBPXUPMLSD-RYUDHWBXSA-N 323.349 -0.171 30 20 DBED N#CCN1CCOC[C@H]1CNC(=O)c1ccn2nnnc2c1 1051059793 HPLWZSQJLMDTER-LLVKDONJSA-N 301.310 -0.922 30 20 DBED CC(=O)Nc1cc(C(=O)NC[C@H]2COCCN2CC#N)ccn1 1051171818 BJWZONMTUOIUQV-ZDUSSCGKSA-N 317.349 -0.006 30 20 DBED C#CCCN1CCOC[C@H]1CNC(=O)c1cccn(C)c1=O 1051217927 XOVHYTKFTAQAMF-CYBMUJFWSA-N 303.362 -0.161 30 20 DBED C#CCN1CCN([C@H]2CCN(C(=O)[C@]3(C)CNC(=O)C3)C2)CC1 1052056546 FLPWZBBVOPLYRC-YOEHRIQHSA-N 318.421 -0.636 30 20 DBED CNC(=O)NCC(=O)NC[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1C 1052555260 XGUFPUUJHBIOJB-AAEUAGOBSA-N 320.393 -0.461 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2cnn[nH]2)C[C@H]1C 1052922777 XXDYOCKWSCFAQU-MNOVXSKESA-N 307.354 -0.168 30 20 DBED CN1CCO[C@@H](C(=O)NC[C@H]2CCC3(CN(CC#N)C3)O2)C1 1053586309 QLDLPMMECSMMLR-CHWSQXEVSA-N 308.382 -0.810 30 20 DBED COc1cc(C(=O)NC[C@@H]2CCC3(CN(CC#N)C3)O2)nn1C 1053626035 LOGOSFNGEXSEEZ-NSHDSACASA-N 319.365 -0.085 30 20 DBED Cn1c(C(=O)N[C@H]2COC3(C2)CN(CC#N)C3)cccc1=O 1053921660 KRXKCZXZHHULIS-LLVKDONJSA-N 302.334 -0.518 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)c3cc(C(N)=O)c[nH]3)CO2)C1 1053966000 CPRSKGGUBBAFMO-LBPRGKRZSA-N 316.361 -0.290 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)c3cc(C(N)=O)cs3)CO2)C1 1054017615 HGSYMCOMGXBNPY-SNVBAGLBSA-N 320.374 -0.056 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2nc(C)n(-c3nc[nH]n3)n2)C[C@@H]1C 1054953125 AIVLCCUFQCLCQG-GXSJLCMTSA-N 314.353 -0.623 30 20 DBED C=CCCC(=O)N1CCC[C@@](CO)(NC(=O)c2nnn(C)n2)C1 1056055286 GYWNFNUGXYLPLR-CQSZACIVSA-N 322.369 -0.740 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@](CO)(NC(=O)c2ncccn2)C1 1056074911 PLZCWABAZMCIMS-XHDPSFHLSA-N 317.349 -0.280 30 20 DBED C[C@H](C#N)C(=O)N[C@]1(CO)CCCN(C(=O)c2cnccn2)C1 1056094054 PLWKZSXPYVLOKC-IAQYHMDHSA-N 317.349 -0.280 30 20 DBED N#Cc1nccc(N2C[C@H]3C(NC(=O)[C@H]4CCC(=O)N4)[C@@H]3C2)n1 1056146068 CTRHWQGZKBXRDJ-OPRDCNLKSA-N 312.333 -0.822 30 20 DBED C[C@H](C(=O)NC1[C@@H]2CN(c3cncc(C#N)n3)C[C@@H]12)n1cncn1 1056169294 UDJJFPPOAZDHCP-YUSALJHKSA-N 324.348 -0.248 30 20 DBED Cc1cc(C#N)nc(N2C[C@H]3[C@H](NC(=O)c4cnnn4C)[C@H]3C2)n1 1056196083 YVIYLZPRYJQWCE-PJXYFTJBSA-N 324.348 -0.350 30 20 DBED Cc1ccc(C#N)c(N2C[C@@H]3C(NC(=O)Cn4ncnn4)[C@H]3C2)n1 1056309860 NWRVGBYSNXQMNX-RYUDHWBXSA-N 324.348 -0.501 30 20 DBED N#Cc1c[nH]c(C(=O)NCCN(CCO)C(=O)c2cc[nH]n2)c1 1057045511 WADADDJEYHEMIH-UHFFFAOYSA-N 316.321 -0.526 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)c1c[nH]nc1CC 1057196364 FAPCKCHMMUQRJZ-UHFFFAOYSA-N 324.381 -0.275 30 20 DBED C=C[C@@](C)(O)CC(=O)N(CCO)CCNC(=O)[C@H]1CCOC1 1057450527 SLVISKSWWGNXKH-SWLSCSKDSA-N 314.382 -0.713 30 20 DBED C#CCO[C@H](C)C(=O)NCCN(CCO)C(=O)C#CC1CC1 1057536173 MXFFMCIXTQGEOC-CYBMUJFWSA-N 306.362 -0.625 30 20 DBED N#Cc1cnc(N2CCC[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)cn1 1058239346 JPWZTHKHEBRXPB-WCQGTBRESA-N 314.349 -0.445 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)c1csc(O)n1 1058663183 KEENPVRGOCTVEM-QMMMGPOBSA-N 312.351 -0.441 30 20 DBED N#Cc1nc(=N[C@H]2C[C@@H](NC(=O)[C@H]3CCNC(=O)C3)C2)cc[nH]1 1059596510 FVKDYBIBTBMRAS-GARJFASQSA-N 314.349 -0.645 30 20 DBED CC(C)C#CC(=O)NCC[C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 1060258333 DFHUYKFCXQUNMZ-CHWSQXEVSA-N 320.393 -0.318 30 20 DBED C#CCNC(=O)CC(=O)N1CCOC[C@H]1CNC(=O)CCCC 1061301024 FSBBIJOQTDLTBG-CYBMUJFWSA-N 323.393 -0.340 30 20 DBED C=CC(C)(C)C(=O)NC[C@@H]1COCCN1C(=O)CC(=O)NC 1061753908 VOZPBKZVSRPUPX-LLVKDONJSA-N 311.382 -0.322 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)CN(C)C(C)=O)CCO1 1064882569 FOZMJOXRPBAZRZ-CYBMUJFWSA-N 311.382 -0.226 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)COCCOC)CCO1 1064985923 MOBSSICQSVHJII-CYBMUJFWSA-N 314.382 -0.041 30 20 DBED C=CCCCC(=O)NC[C@@H]1CN(C(=O)CC(=O)NC)CCO1 1065082120 OQHDHFYLMNHNAW-GFCCVEGCSA-N 311.382 -0.178 30 20 DBED CC(C)C#CC(=O)N1CCO[C@H](CNC(=O)[C@@H]2CCC(=O)N2)C1 1065128777 JFVZVEBIFXOMRF-OLZOCXBDSA-N 321.377 -0.732 30 20 DBED N#Cc1nccnc1N1C[C@H](O)[C@H](CNC(=O)c2cccnc2)C1 1067642810 LDAHNFQISRUABB-OCCSQVGLSA-N 324.344 -0.030 30 20 DBED Cn1cnc(C(=O)NC2CC(CN=c3cc[nH]c(C#N)n3)C2)n1 1067847250 GOWOBRFDLQKSEG-UHFFFAOYSA-N 312.337 -0.481 30 20 DBED Cn1ncc(C(=O)NC[C@H]2[C@@H]3CN(c4ccnc(C#N)n4)C[C@H]23)n1 1068178274 UPOAECCNGXWUMI-RTCCRHLQSA-N 324.348 -0.411 30 20 DBED COC[C@@H](C)C(=O)N1CCOC2(CN(C(=O)[C@@H](C)C#N)C2)C1 1068351358 PMQLJOBWAKTSEF-NWDGAFQWSA-N 309.366 -0.132 30 20 DBED C=CCCCC(=O)NC[C@@H]1CCC2(CN(C(=O)C(N)=O)C2)O1 1068616062 GKHAMJLOOXGEKR-NSHDSACASA-N 309.366 -0.296 30 20 DBED C#CCCCC(=O)N1CC2(CC[C@@H](CNC(=O)C(N)=O)O2)C1 1068617204 UDHMWZHSRAGECM-NSHDSACASA-N 307.350 -0.849 30 20 DBED CN(C(=O)Cn1cnnn1)C1CC(Nc2cnc(C#N)cn2)C1 1069710451 VTUDWQXXYNGISM-UHFFFAOYSA-N 313.325 -0.564 30 20 DBED N#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)C[C@@H]2COC(=O)C2)C1 1069910151 HAELPGJXHGLGKM-TUAOUCFPSA-N 318.337 -0.904 30 20 DBED N#CCN1CCOC[C@H]1c1n[nH]c(CNC(=O)[C@@H]2CCOC2)n1 1070581759 JMPDVEAKCXKYCG-MNOVXSKESA-N 320.353 -0.646 30 20 DBED C[C@H](NC(N)=O)C(=O)N1CCC[C@@H](NC(=O)C#CC2CC2)C1 1070657239 OPYVFBSKPYWVPS-CMPLNLGQSA-N 306.366 -0.436 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)C[C@H]4COC(=O)C4)C[C@@]3(C1)O2 1070786831 OWINOSLQTQSEGQ-UMPJEAMMSA-N 318.373 -0.126 30 20 DBED C#CCN1CC[C@@]2(C1)CN(C(=O)Cn1cnnc1O)C[C@H](C)O2 1071148828 AWIFMHQYSZMAAV-SWLSCSKDSA-N 319.365 -0.691 30 20 DBED C=CCOCC(=O)N1C[C@@H](NC(=O)c2[nH]nnc2C)[C@H](C)C1 1071805069 KHWKJSQFNMYABE-MWLCHTKSSA-N 307.354 -0.108 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CCN(C(=O)Cn2cnnn2)CC1(C)C 1073482579 HULXHYJXTHIYBB-QWRGUYRKSA-N 319.369 -0.424 30 20 DBED CC#CCN1CCCO[C@H](CNC(=O)[C@@H]2CN(C)C(=O)N2)C1 1073726381 KJFDDRJHIIVRNU-OLZOCXBDSA-N 308.382 -0.760 30 20 DBED C[C@H]1CN(C(=O)CCNC(N)=O)CC[C@H]1NC(=O)C#CC1CC1 1073950003 YNWLYGTUEBNSMK-WCQYABFASA-N 320.393 -0.189 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@H]2CCN(C(=O)C(N)=O)CC[C@H]2C1 1074360420 XRUKYKHAINXVMR-RWMBFGLXSA-N 321.377 -0.793 30 20 DBED C#CCOCCC(=O)NCC[C@H](C)NC(=O)c1cnn(CC)n1 1076504236 RPFOPEJAXVNLCD-LBPRGKRZSA-N 321.381 -0.038 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)c2ccc(Cn3ccnn3)o2)C1 1077429333 NZVFXQLMDAFQFI-CHWSQXEVSA-N 317.349 -0.120 30 20 DBED C[C@@H](CCNC(=O)CCn1ncn(C)c1=O)NC(=O)[C@H](C)C#N 1077465031 FYGMOBKRRVBFGP-MNOVXSKESA-N 322.369 -0.857 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)c2cnc(O)n2C)C1 1077514349 SPTBQMVPSHIENN-PSASIEDQSA-N 300.746 -0.347 30 20 DBED Cc1nn(C)c2nc(C(=O)N[C@@H]3CN(CC#N)C[C@H]3O)ccc12 1078233096 IDKITOPONYJYOR-CHWSQXEVSA-N 314.349 -0.425 30 20 DBED N#CCN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)Cn1ccc(O)nc1=O)C2 1078991467 YZVWPWISKSMEMC-IJLUTSLNSA-N 317.349 -0.558 30 20 DBED N#CCN[C@H]1C[C@H]2CC[C@H]1N(C(=O)CN1CC(=O)NC1=O)C2 1079063539 BMKMQDMRSYKMBA-OUAUKWLOSA-N 305.338 -0.969 30 20 DBED C=CCOCC(=O)N1CC(N(CC)C(=O)[C@@H]2CCC(=O)NC2)C1 1080062770 XRAGFFJPVXPZGJ-GFCCVEGCSA-N 323.393 -0.226 30 20 DBED C=CCN1CC[C@H](N2C[C@@H](NC(=O)c3nc[nH]n3)[C@H](C)C2)C1=O 1080641096 UDEGOJYEHRUWJU-UTUOFQBUSA-N 318.381 -0.358 30 20 DBED CCOCC(=O)NC1(CO)CCN(C(=O)C#CC2CC2)CC1 1080698250 ONYZRIOYJCHBHF-UHFFFAOYSA-N 308.378 -0.094 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CO)(NC(=O)[C@H]2CCCN2C)CC1 1080778648 LYVBAUUKYNENEB-CHWSQXEVSA-N 322.409 -0.290 30 20 DBED C=C(C)CCC(=O)N1C[C@H](CNC(=O)c2cnon2)[C@@H](O)C1 1081682032 KZOBIDQXVUFPFG-JQWIXIFHSA-N 308.338 -0.025 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)Cn1c(C)cc(C)nc1=O 1082278050 SVAMUTWGWFXJLB-CHWSQXEVSA-N 319.365 -0.801 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@]2(C)CCN(C(C)=O)C2)[C@H](OC)C1 1082311268 DEYJCIFBANSDCA-IIAWOOMASA-N 307.394 -0.307 30 20 DBED CCn1ncnc1CN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H](C)C#N 1083026192 RAKSRIULUINARV-FRRDWIJNSA-N 318.381 -0.131 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1[nH]c(O)nc1C 1083113453 AVPUJHGRNIFPHD-NWDGAFQWSA-N 304.350 -0.028 30 20 DBED COc1nccc(C(=O)N2CCO[C@@H]3CN(CC#N)C[C@@H]32)n1 1083139779 TXTBUFNLJIBSAX-NWDGAFQWSA-N 303.322 -0.466 30 20 DBED CCCn1cc(C(=O)N2CCO[C@@H]3CN(CC#N)C[C@@H]32)nn1 1083235533 IMAIIILDEVXKNL-QWHCGFSZSA-N 304.354 -0.263 30 20 DBED Cn1cc(CCC(=O)N2CCO[C@@H]3CN(CC#N)C[C@@H]32)nn1 1083292700 SUDFFTWSWNNKPO-QWHCGFSZSA-N 304.354 -0.817 30 20 DBED Cn1ccnc1CN1C[C@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 1083392054 UJCKUTLLUVVINU-OLZOCXBDSA-N 314.349 -0.405 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)c2ccn(CCOC)n2)C1 1083629502 WWWXQEMNPGXBKK-KGLIPLIRSA-N 306.366 -0.672 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)[C@H]2CCCS(=O)(=O)C2)C1 1083829549 TXTBQXDIHYNRMC-XQQFMLRXSA-N 316.423 -0.451 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2cccc(CNC(C)=O)c2)C1 1084073063 HDJKJEZCMVEODX-CVEARBPZSA-N 315.373 -0.269 30 20 DBED COCCN1C[C@H](C(=O)N(C)C[C@@H]2CCN2CC#N)CC1=O 1085626088 FYHMOKFWQQTZAO-OLZOCXBDSA-N 308.382 -0.462 30 20 DBED C#CCN[C@H]1C[C@@H](CNC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 1086085787 PDNYXLNXFYMORZ-UPJWGTAASA-N 315.377 -0.120 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2cc(OCC)n[nH]2)[C@H](O)C1 1090354855 MLCRJFHPEULICG-WCQYABFASA-N 306.366 -0.003 30 20 DBED Cn1nnc(CNC2CC(CNC(=O)c3ccc(C#N)[nH]3)C2)n1 1090988403 SAFQJBNHAPRYPK-UHFFFAOYSA-N 314.353 -0.292 30 20 DBED C#CCO[C@H](C)C(=O)N1CCO[C@@H]2CN(c3ncccn3)C[C@@H]21 1091056901 YAQJOBGPISXAQM-HZSPNIEDSA-N 316.361 -0.069 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(c2ccnc(C)n2)C[C@@H]1O 1091101080 AGDZAVFSFOCFSK-TYNCELHUSA-N 306.366 -0.222 30 20 DBED Cc1cc(=N[C@H]2C[C@@H](CNC(=O)CNC(N)=O)C2)c(C#N)c[nH]1 1091313554 OWNZQKAGOFXNQR-KLPPZKSPSA-N 316.365 -0.341 30 20 DBED N#Cc1nc(=N[C@H]2C[C@@H](CNC(=O)Cn3nccn3)C2)cc[nH]1 1091374404 PYJAHFZRSAKXIY-PHIMTYICSA-N 312.337 -0.631 30 20 DBED C#CCN1CC(OC2CCN(C(=O)[C@]3(C)CCNC3=O)CC2)C1 1093571672 ANGZCQDIZFDXHC-QGZVFWFLSA-N 319.405 -0.162 30 20 DBED COC[C@@]1(C(=O)NCCNc2nccnc2C#N)CCOC1 1094009504 CSFGGBBBYJNWDR-AWEZNQCLSA-N 305.338 -0.071 30 20 DBED N#Cc1nccnc1NCCNC(=O)[C@@H]1CN2CCC[C@H]2CO1 1094202963 IIRNGBMERVEQKY-AAEUAGOBSA-N 316.365 -0.260 30 20 DBED N#Cc1ccc(NCCNC(=O)c2ccc(C(N)=O)o2)nn1 1094259542 OOLVHAGBRQBMCC-UHFFFAOYSA-N 300.278 -0.118 30 20 DBED CC(=O)N[C@@H](C)C(=O)N1CC[C@@H](N(C)c2ccc(C#N)nn2)C1 1095090083 JEWUXCYTDYUQDW-GXFFZTMASA-N 316.365 -0.090 30 20 DBED CC(=O)NC(C)(C)C(=O)N[C@H]1CCN(c2cncc(C#N)n2)C1 1096401141 PSWCQNOUGOTKFC-NSHDSACASA-N 316.365 -0.042 30 20 DBED N#Cc1cnc(N[C@H]2C[C@H](NC(=O)CNC(=O)C3CC3)C2)cn1 1096989720 QGMNDRLCDKWWSC-XYPYZODXSA-N 314.349 -0.066 30 20 DBED C[C@H](CNC(=O)[C@@H]1CCCN1C(N)=O)Nc1cnc(C#N)cn1 1097920344 VBTKMFJWZXYVOK-KOLCDFICSA-N 317.353 -0.192 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3[C@H](C)C(N)=O)nn1 1097999143 IYFXMAJJTHOCLN-UZWSLXQKSA-N 318.381 -0.327 30 20 DBED COCC(=O)N(C)CC(=O)NC[C@@H](C)Nc1cnc(C#N)cn1 1098329759 NKBJKEHBKUDANE-SNVBAGLBSA-N 320.353 -0.630 30 20 DBED N#CCN(CCO)C1CCN(C(=O)c2cc(C(N)=O)co2)CC1 1098477800 KHORMTSLNKRLSE-UHFFFAOYSA-N 320.349 -0.199 30 20 DBED C[C@@H]1CN(C(=O)[C@@H]2COC(=O)N2)CC2(CCN(CC#N)CC2)O1 1098593232 WERIQVGOBILLFN-NEPJUHHUSA-N 322.365 -0.300 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)c2cscn2)[C@H](O)C1 1099716611 YDYKTDOUVDYBOL-CMPLNLGQSA-N 324.406 -0.390 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2cc(OC)no2)[C@@H](O)C1 1099782954 JBBDUJRMDOCCCF-NEPJUHHUSA-N 323.349 -0.502 30 20 DBED Cc1nc(CN2CC[C@H](NC(=O)C#CC(C)C)[C@H](O)C2)n[nH]1 1099823254 AQNXAWJCZYWXAS-QWHCGFSZSA-N 305.382 -0.176 30 20 DBED N#CCN1CC[C@H](NC(=O)COCc2ccnc(O)c2)[C@@H](O)C1 1099892022 GUSQUFZALKTQSW-STQMWFEESA-N 320.349 -0.621 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CCc2nc(C)no2)[C@@H](O)C1 1099941560 CTDZGEINHGGFKX-OLZOCXBDSA-N 306.366 -0.115 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)C2(C(=O)N(C)C)CC2)[C@@H](O)C1 1100072033 OCFYNTLIMMVBDH-OLZOCXBDSA-N 309.410 -0.018 30 20 DBED Cc1cc(C#N)nc(N(C)CCNC(=O)[C@H]2CC[C@H]2C(N)=O)n1 1100269456 ZGSJVBSPVGERET-NEPJUHHUSA-N 316.365 -0.279 30 20 DBED CN(CCNC(=O)c1cnc(O)n1C)c1cncc(C#N)n1 1100270051 BPFYRJSFLAVQHG-UHFFFAOYSA-N 301.310 -0.346 30 20 DBED COCC#CCNC1CC(CNC(=O)[C@H]2CC(=O)N(C)C2)C1 1100377878 NZWCTCHCBSTZKB-MOKVOYLWSA-N 307.394 -0.401 30 20 DBED CCN(CCNC(=O)[C@H]1CCC(=O)N1)c1nccnc1C#N 1100467021 GAGCKQFFLYBGRF-SNVBAGLBSA-N 302.338 -0.431 30 20 DBED COCC#CCNC1CC(CNC(=O)C(=O)NCC(F)F)C1 1100469762 FGIAUKPPQWRDLB-UHFFFAOYSA-N 317.336 -0.498 30 20 DBED C[C@@H](CC(N)=O)C(=O)NC[C@@H]1CCN(c2nccnc2C#N)C1 1101035953 MTCQVQYQLFRKTQ-QWRGUYRKSA-N 316.365 -0.198 30 20 DBED CN(CCNc1ccc(C#N)cn1)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 1101960609 UKWSYFBCQNGBAL-NWDGAFQWSA-N 317.349 -0.144 30 20 DBED CC(=O)NCC(=O)NC[C@@H](O)CNc1ncc(C#N)cc1F 1105712336 YQVWDKSYXBPAQH-SNVBAGLBSA-N 309.301 -0.883 30 20 DBED CN1CC[C@@H](C(=O)NC[C@@H](O)CN=c2cc[nH]cc2C#N)C1 1105854138 UUMRFMNTBZFSDI-YPMHNXCESA-N 303.366 -0.784 30 20 DBED CCCN(C)CC(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1 1105910346 UNCWVQZVVNPYSY-NSHDSACASA-N 306.370 -0.999 30 20 DBED Cn1cncc1CC(=O)NC[C@@H](O)CN=c1cc[nH]cc1C#N 1105913685 GOYLVUWHHZVMPQ-ZDUSSCGKSA-N 314.349 -0.760 30 20 DBED C[C@@H]1CC[C@H](C(=O)NC[C@@H](O)CNc2cncc(C#N)n2)O1 1106110563 VBTCINFNCYEURI-ADEWGFFLSA-N 305.338 -0.195 30 20 DBED C#CCCN1CC(n2cc(CNC(=O)[C@H](O)C(C)C)nn2)C1 1107168564 VWQOVLWRIDSGRB-CQSZACIVSA-N 305.382 -0.209 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)[C@H](OC)c2cnn(C)c2)C1 1108100016 QFTNLYMXTRGXMI-GDBMZVCRSA-N 320.393 -0.052 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)C12CCN(CC1)C2 1108455268 YLZZCVBCKNMQED-NSHDSACASA-N 300.366 -0.217 30 20 DBED C=CCCC(=O)N[C@@H]1CC(=O)N(C2CN([C@@H](C)C(=O)NC)C2)C1 1108520302 SAAPKRDAARKSFA-NWDGAFQWSA-N 322.409 -0.512 30 20 DBED COC[C@@H](C)N1CC(N2C[C@H](NC(=O)C#CC3CC3)CC2=O)C1 1108544875 LBKMWPGRMJRLIS-TZMCWYRMSA-N 319.405 -0.164 30 20 DBED C#CCCN1CC(N2C[C@@H](NC(=O)CN(CC)CC)CC2=O)C1 1108581064 HBSIBZDEMVWRMJ-AWEZNQCLSA-N 320.437 -0.247 30 20 DBED N#Cc1nccnc1NC[C@H](NC(=O)[C@@H]1COC(=O)N1)C1CC1 1109832487 HJBINIIWHJTHTO-QWRGUYRKSA-N 316.321 -0.237 30 20 DBED CNC(=O)NCC(=O)N1CCC[C@H]1CN=c1cc[nH]cc1C#N 1110565412 XSNUKPPNGKJRIS-LBPRGKRZSA-N 316.365 -0.293 30 20 DBED C[C@]1(NC(=O)CS(C)(=O)=O)CCN(c2nccnc2C#N)C1 1110718132 AIPJJPFMEAGIOF-ZDUSSCGKSA-N 323.378 -0.522 30 20 DBED N#Cc1cnc(N2CCC(F)(F)[C@H](CNC(=O)C(N)=O)C2)cn1 1111014162 OZPOLLPBWKLJHN-MRVPVSSYSA-N 324.291 -0.589 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1111176424 IQAZOBMYJHPQII-DLOVCJGASA-N 300.322 -0.484 30 20 DBED CN(C(=O)C#CC1CC1)[C@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1111183735 VDAMDSMCVUVHFA-KBPBESRZSA-N 311.345 -0.230 30 20 DBED N#Cc1ccc(NCCN(CCO)C(=O)[C@H]2CCC(=O)N2)cn1 1111445237 RPVNYJSZKXRDSQ-CYBMUJFWSA-N 317.349 -0.535 30 20 DBED C#CCOCCC(=O)N(CCO)CCN=c1cc[nH]cc1C#N 1111510667 GJRJFDDYCWGKQY-UHFFFAOYSA-N 316.361 -0.352 30 20 DBED C[C@H]1C[C@H](NC(=O)CC(N)=O)CCN1c1nccnc1C#N 1112459994 QTRRHWIZLMNYSF-VHSXEESVSA-N 302.338 -0.303 30 20 DBED COCCC(=O)NC[C@H]1CN(c2nccnc2C#N)C[C@H]1O 1112690164 XRTZOLRJGGHSHD-CMPLNLGQSA-N 305.338 -0.702 30 20 DBED CCc1nn(C)cc1C(=O)N1CCN(CC(=O)NCC#N)CC1 1112991734 UMLORUJWJHIJQO-UHFFFAOYSA-N 318.381 -0.620 30 20 DBED C[C@H](NC(=O)CCn1cnnn1)[C@H](C)Nc1nccnc1C#N 1113125206 VBMUMBIEWJJNLP-UWVGGRQHSA-N 315.341 -0.270 30 20 DBED C[C@H](CNC(=O)[C@@H]1CN(C)CCO1)N(C)c1cncc(C#N)n1 1113534348 XZAPUSBMVTYTBA-YPMHNXCESA-N 318.381 -0.380 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)CSCC#N)[C@H]2C1 1113899393 LYJNKVJSXUJPFR-CIQGVGRVSA-N 320.418 -0.573 30 20 DBED COC[C@H](O)CN1C[C@H]2[C@H](NC(=O)c3ccc(C#N)[nH]3)[C@H]2C1 1114145744 VWUXHRLQNVRBFK-NMKXLXIOSA-N 304.350 -0.446 30 20 DBED CNC(=O)CC(=O)NC[C@H]1[C@@H]2CN(c3ccncc3C#N)C[C@H]12 1114531035 VJSPYDFCEJSAIE-XYYAHUGASA-N 313.361 -0.112 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3c(C)cnn3C)[C@H]2C1 1114707693 OUDIGDLIYXEULS-IMRBUKKESA-N 317.393 -0.309 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)C3(CN(C)C)CC3)[C@H]2C1 1114740883 DAGDPOWRWVWAPQ-STQMWFEESA-N 318.421 -0.876 30 20 DBED N#Cc1cncc(NC[C@H]2C[C@H](NC(=O)C3(C(N)=O)CC3)C2)n1 1114811500 COEBGTJWSZCFPW-MGCOHNPYSA-N 314.349 -0.080 30 20 DBED CC(=O)NCC(=O)NCCOCCN(C)c1ccncc1C#N 1115161035 RUIOTVFLECNVJB-UHFFFAOYSA-N 319.365 -0.342 30 20 DBED CC#CCN1C[C@H]2[C@H](NC(=O)C(=O)Nc3cc(C)on3)[C@H]2C1 1115234376 ZGLNVIHCOOLHJT-PJXYFTJBSA-N 302.334 -0.009 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)CN(C)C(C)C)[C@H]2C1 1115304885 WQCVKKIXFOXZEY-STQMWFEESA-N 306.410 -0.878 30 20 DBED C=CCOCC(=O)N(C)C[C@H](C)Nc1ccc2nnnn2n1 1115651362 VPVBNGOFTQUOAI-JTQLQIEISA-N 305.342 -0.019 30 20 DBED C[C@H](CN(C)C(=O)[C@H]1CN(C)CCO1)N=c1cc[nH]c(C#N)n1 1115664223 LLOJAAYNXOXFJY-VXGBXAGGSA-N 318.381 -0.640 30 20 DBED C#CCSCCNC(=O)C(=O)N1CCC(C(=O)OC)CC1 1117412030 IKXZYLPKFCCLEP-UHFFFAOYSA-N 312.391 -0.119 30 20 DBED N#CCNC(=O)CNC(=O)N1CCC[C@H](N2CCCC2=O)C1 1117432106 RUVFXLIYUYAUEP-NSHDSACASA-N 307.354 -0.577 30 20 DBED C[C@H](CN(C)C(=O)[C@H]1CC(=O)N(C)C1)N=c1cc[nH]c(C#N)n1 1120863875 HAOWOCXFLVKHRG-MNOVXSKESA-N 316.365 -0.493 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)Cc2cc[nH]n2)nc1 1121399872 RHIRSDGYLYSHPA-GFCCVEGCSA-N 300.322 -0.192 30 20 DBED CC(C)C#CC(=O)NC[C@H](CO)Nc1ncnc2c1nnn2C 1121519954 CHFJOHLALXQOED-SNVBAGLBSA-N 317.353 -0.693 30 20 DBED CCN(CC)CC(=O)NC[C@@H](CO)Nc1nccnc1C#N 1121660191 WHIDBJCADOJRDN-NSHDSACASA-N 306.370 -0.421 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)Cn2ccnc2)cn1 1121717734 IYSSONKLTYJCSF-CYBMUJFWSA-N 300.322 -0.261 30 20 DBED C=CCNC(=O)CNC(=O)N1CCO[C@H](c2ccnn2C)C1 1121910634 NEBWSAOOMXFWKN-LBPRGKRZSA-N 307.354 -0.195 30 20 DBED COC[C@H](OC)C(=O)NC[C@@H](CO)Nc1nc(C)ccc1C#N 1122466532 PGNCKZFNCAOBHP-STQMWFEESA-N 322.365 -0.188 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)C[C@H](O)CNc1ncccn1 1124849478 GKVRLLOSKSEZEL-KGLIPLIRSA-N 317.393 -0.195 30 20 DBED CN(C[C@@H](O)CN(C)c1ncccn1)C(=O)CSCC#N 1124970382 QHEVIVCQLNPEFQ-LLVKDONJSA-N 309.395 -0.011 30 20 DBED Cc1nsc(N(C)C[C@@H](O)CN(C)C(=O)C(N)=O)c1C#N 1125246808 BAPSLRWDYLEFTP-QMMMGPOBSA-N 311.367 -0.936 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)c1cn(C)cn1 1125676316 OYFOARWESCTLRK-SNVBAGLBSA-N 322.369 -0.860 30 20 DBED CC(C)C#CC(=O)NCCNC[C@@H]1CCN(S(C)(=O)=O)C1 1126816336 YUCLUQZNHMMICS-ZDUSSCGKSA-N 315.439 -0.367 30 20 DBED C#CCNCc1nnc2n1CC[C@@H](NC(=O)CCOC)CC2 1127919326 XUEJRSHDECNQHW-LBPRGKRZSA-N 305.382 -0.142 30 20 DBED CC#CCNCc1nnc2n1CC[C@@H](NC(=O)CC(N)=O)CC2 1127985710 YWFFXHATGONJIL-NSHDSACASA-N 318.381 -0.913 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)CCc2ccncn2)C1=O 1128428896 ZFYYSFIBYRPEMJ-AWEZNQCLSA-N 317.393 -0.098 30 20 DBED N#CCSCC(=O)N[C@@H]1CN(CCF)C[C@@H]1n1ccnn1 1128723921 LWJVDPQPVMVJDX-MNOVXSKESA-N 312.374 -0.154 30 20 DBED C#CCCN[C@@H]1CN(C(=O)c2cnccn2)C[C@@H]1n1ccnn1 1129534012 YYPUMNVYVHLECX-KGLIPLIRSA-N 311.349 -0.253 30 20 DBED C=CCNC[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CC(N)=O)n2)O1 1130776763 KTJBFGYDLLNHGY-VHSXEESVSA-N 322.369 -0.708 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)c2cn(C)ccc2=O)C1=O 1131162319 ZKWDVLDDFDWHLY-CYBMUJFWSA-N 318.377 -0.508 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)[C@@H](C)NC(C)=O)C[C@@]3(C1)O2 1131178316 ULCFRCUVNVRILA-XKVFNRALSA-N 305.378 -0.554 30 20 DBED C#CCNC(=O)CNCCNC(=O)Cc1ccc2n[nH]cc2c1 1131253168 TXKDGTVDHZNJRS-UHFFFAOYSA-N 313.361 -0.439 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1cc(=O)c(OC)co1 1131360480 DZAGWHREZMKRQF-SNVBAGLBSA-N 321.333 -0.894 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cc2ccccc2nn1 1132156638 FTSDNCGEYOMUET-UHFFFAOYSA-N 311.345 -0.301 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CC[C@@H](C(N)=O)C1 1133940246 VAXUSTIGZQUDCB-UTUOFQBUSA-N 310.398 -0.716 30 20 DBED Cc1cc(C(=O)N[C@H](C)C[C@@H](C)NCC(=O)NCC#N)cnn1 1134206377 TUHJFEXQLWRCAZ-GHMZBOCLSA-N 318.381 -0.089 30 20 DBED CNC(=O)NCCC(=O)N[C@H](C)C[C@H](C)NCC#CCOC 1134269212 FJQWLUHDMLKUJX-QWHCGFSZSA-N 312.414 -0.172 30 20 DBED CC#CCN[C@@H](C)C[C@@H](C)NC(=O)CN1CCCS1(=O)=O 1134557516 PFYJQVONKYFZFT-QWHCGFSZSA-N 315.439 -0.082 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCN[C@@H]1CCC(=O)NC1=O 1135142312 ORXMZLJKFRYVCK-LOWVWBTDSA-N 309.366 -0.521 30 20 DBED COCC#CCNCCNC(=O)c1cn(C[C@H]2CCOC2)nn1 1136000682 IGGVKEHGYOJVTO-CYBMUJFWSA-N 321.381 -0.716 30 20 DBED Cc1nonc1C(=O)N[C@@H](C)C[C@@H](C)NCC(=O)NCC#N 1146743301 BEFBOQOKBHDWQG-BDAKNGLRSA-N 308.342 -0.496 30 20 DBED N#CCNC(=O)CN1CCC2(C1)CN(C(=O)c1ccc[nH]1)C2 1146973510 DSQWQNXCEZSWBJ-UHFFFAOYSA-N 301.350 -0.198 30 20 DBED C#CCNC(=O)CN1CCCO[C@H](CNC(=O)C(C)(C)C)C1 1150632911 BWTQDGOLPPCBIS-CYBMUJFWSA-N 309.410 -0.011 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)CC1(O)CCC1 1153221543 FADQFLRVHXHATB-GFCCVEGCSA-N 310.398 -0.242 30 20 DBED C=CCN(CC)[C@H](C)CNC(=O)c1cn(C)c(=O)n(C)c1=O 1155606916 GHZJQBZTFUZBKK-LLVKDONJSA-N 308.382 -0.290 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)c1nonc1C 1157293100 ADTBJXSGCWWDAY-SECBINFHSA-N 308.342 -0.542 30 20 DBED CN1CCC[C@@H]1CCC(=O)NCCCNCC(=O)NCC#N 1160268072 VHQWKRWTFIPJEO-CYBMUJFWSA-N 309.414 -0.404 30 20 DBED C#CCN1CCC(CNC(=O)c2cnnn2C)(COC)CC1 1162247110 VKLQKNKGAJAWBM-UHFFFAOYSA-N 305.382 -0.093 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@H](C)Oc1cccnc1 1166342324 QNZKYVCUTJZKLF-ZDUSSCGKSA-N 318.377 -0.306 30 20 DBED C=CCNC(=O)CNCCCNC(=O)Cn1ccc(C)cc1=O 1167455101 PLDAOUMVFRLMLU-UHFFFAOYSA-N 320.393 -0.445 30 20 DBED C[C@@H](CCCCNCC(=O)NCC#N)NC(=O)c1cncn1C 1171691167 KMQOJYLTIYZEGP-LBPRGKRZSA-N 320.397 -0.062 30 20 DBED CCOCC(=O)N1C[C@@H](C)[C@](C)(CNCC(=O)NCC#N)C1 1180488705 AYCUQZDPYKJFCK-IUODEOHRSA-N 310.398 -0.263 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)CCCC(=O)NC)C1 1182121994 VBEGCGOHJNXROY-CHWSQXEVSA-N 322.409 -0.769 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)Cc2nonc2C)C1 1186695424 VMPRZHVMYPPPMA-NWDGAFQWSA-N 319.365 -0.751 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)CN3CCCC3)[C@@H]2C1 1190169239 XJINNUIMJLAXSG-LSDHHAIUSA-N 318.421 -0.636 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(Cc2cnn(CC)n2)C[C@H]1O 1191806715 ADOCAQSFVKKZPA-CHWSQXEVSA-N 309.370 -0.838 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(CC(=O)NCC2CCC2)C[C@H]1O 1192723072 ZXZQJFHUJXWNKY-HUUCEWRRSA-N 321.421 -0.277 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)[C@@]2(C)CCOC2)C1 1193047667 ISMSSNUHITYXON-BBRMVZONSA-N 307.394 -0.305 30 20 DBED C#CCCN(C)[C@@H]1CCN(C(=O)COCc2ncnn2C)C1 1193180216 IHSCWDCLJLAOFE-CYBMUJFWSA-N 305.382 -0.112 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)Cc2nnc(C)o2)CC1 1195709634 CTJOFNUBSFSZPQ-UHFFFAOYSA-N 319.365 -0.796 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)CCc2nc(C3CC3)no2)C1 1196749069 LODHNJYZOQXSHC-GHMZBOCLSA-N 305.338 -0.436 30 20 DBED Cc1ncc(C(=O)N2CCCN(CC(=O)NCC#N)CC2)n1C 1196918724 SPJKUAFSOPIPFD-UHFFFAOYSA-N 318.381 -0.484 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)CS(=O)(=O)CCCC)C1 1199135803 GAUDMYICTVMQLH-CHWSQXEVSA-N 316.423 -0.614 30 20 DBED C#CCCCC(=O)N1C[C@H]2CC[C@H]1[C@@H](NCC(=O)NC(N)=O)C2 1204286127 XKARKMUPTXWXBE-AVGNSLFASA-N 320.393 -0.046 30 20 DBED CCO[C@@H](C)C(=O)N1CCC(CNCC(=O)NCC#N)CC1 1204587666 XKVBVNAJGPPXOZ-LBPRGKRZSA-N 310.398 -0.121 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC(CN[C@H]2CCNC2=O)CC1 1205264875 JOZLQHIVFQIYHY-OCCSQVGLSA-N 307.394 -0.259 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)Cc2cc(C)on2)C1 1207698598 UOUGFCVESUGOGU-ZDUSSCGKSA-N 318.377 -0.144 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)c2c(C)cnn2C)C1 1209053018 QQYVBXICJWIBOJ-ZDUSSCGKSA-N 317.393 -0.328 30 20 DBED CCN(C)C(=O)CN1C[C@@H](NC(=O)C#CC(C)C)[C@H](OC)C1 1212231236 RJKITQAEAIZHEC-ZIAGYGMSSA-N 309.410 -0.061 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(C[C@@H](O)COC)C[C@H]1OC 1213959704 XMUNSQWCYNRISZ-MGPQQGTHSA-N 316.398 -0.598 30 20 DBED C[C@@H]1CN(C(=O)c2ccn(C)c2)C[C@H]1NCC(=O)NCC#N 1214434242 YSFHYVKHOUZTBF-DGCLKSJQSA-N 303.366 -0.285 30 20 DBED C#CCCCCC(=O)N1C[C@@H](NCC(=O)NC(N)=O)[C@H](C)C1 1214466749 XLFOXAOHFHNFKO-VXGBXAGGSA-N 308.382 -0.189 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](NCc2nccn2C)[C@H](C)C1 1214472715 ZZLHFLJXMRJNJK-CHWSQXEVSA-N 317.393 -0.504 30 20 DBED CC#CCN[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CCOC)C2)C[C@H]1C 1214757775 WNXBITYTEVHEIU-QLFBSQMISA-N 321.421 -0.059 30 20 DBED CC#CCN[C@@H]1CN(C(=O)CCCS(N)(=O)=O)C[C@H]1C 1215434251 VRMOHJOTROEJFN-VXGBXAGGSA-N 301.412 -0.485 30 20 DBED C=CCCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2cnnn2C)C[C@@H]1O 1219324554 SRHLYWSKPPSXOI-YUTCNCBUSA-N 323.397 -0.542 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CN(Cc2ccn(C)c(=O)c2)C[C@@H]1O 1219378688 CFWDRZFATRMZCQ-RTXFEEFZSA-N 304.350 -0.794 30 20 DBED C#CCCCCC(=O)N[C@@H]1CN([C@@H](C)c2nnnn2C)C[C@@H]1O 1219482283 UFASWPUTQCFXTG-XQQFMLRXSA-N 320.397 -0.374 30 20 DBED C=C(C)CCC(=O)N[C@@H]1CN(CCNS(C)(=O)=O)C[C@@H]1O 1219718572 JWLDEIQMSVDPDE-NEPJUHHUSA-N 319.427 -0.947 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)CCCc2nc(C3CC3)no2)C1 1220506204 IDVOLMQDJCBIPB-NEPJUHHUSA-N 319.365 -0.045 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@@H](C)Cc2cnn(C)c2)C1 1220650079 WNMFLUZLXTYRIW-CFVMTHIKSA-N 304.394 -0.217 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)COCc2nncn2C)C1 1220661441 RKXLSDJCTQKPHI-NEPJUHHUSA-N 309.370 -0.931 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)CCCCCC)C1 1220895902 RQMCRIRMDOMPAU-KGLIPLIRSA-N 309.410 -0.133 30 20 DBED C=CCC[C@@H](C)N1C[C@H](O)[C@H](NC(=O)c2cn(C)c(=O)n2C)C1 1221104556 ZIGGAYMCLYKGPS-BZPMIXESSA-N 322.409 -0.147 30 20 DBED CC(C)C#CC(=O)N1C[C@H]2CCN(CC(=O)NCC#N)C[C@H]21 1221529494 IUQKWXPIVXNBNP-ZIAGYGMSSA-N 302.378 -0.182 30 20 DBED C#CCOCCC(=O)N1C[C@H]2CCN([C@@H]3CCNC3=O)C[C@H]21 1221545051 UOALFSDWCLLPKE-MGPQQGTHSA-N 305.378 -0.553 30 20 DBED CC#CCN1CC[C@@H]2CN(C(=O)COCc3nncn3C)[C@@H]2C1 1221910639 NIHKXUGITJCEMU-ZIAGYGMSSA-N 317.393 -0.112 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1[C@H]2COC[C@H]21 1228061343 LBQOSNPBHCIOKX-SGPHBRAGSA-N 319.405 -0.355 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)COCC(F)F)CC1 1228440873 QGHVLJYYHNWYSH-UHFFFAOYSA-N 317.336 -0.402 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)CN(C)C(C)C)CC1 1230366632 AEXLTXLXHPYCAU-UHFFFAOYSA-N 308.426 -0.343 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)[C@@H](C)n1cccn1 1230848386 FQELZZGIKYSCRP-KGLIPLIRSA-N 317.393 -0.274 30 20 DBED C#CCN1CCN(c2nnc([C@@H](C)CO)n2CCOC)CC1 1263262047 WYWDNGZFPXGGSN-ZDUSSCGKSA-N 307.398 -0.225 30 20 DBED N#CCNC(=O)CN1CC[C@@H](NC(=O)CCOCC2CC2)C1 1269129687 PAUSQBDZJZRYQW-CYBMUJFWSA-N 308.382 -0.367 30 20 DBED CC1=CC(=O)[C@@H](C(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)C(=O)O1 1317779402 IHPJJNOHZPTKLY-QMAVJUDZSA-N 318.285 -0.688 30 20 DBED COC[C@H](CNC(=O)C(=O)NCC#Cc1ccccc1)OC 1322987639 GDTAOBZHTHUECT-AWEZNQCLSA-N 304.346 -0.068 30 20 DBED C#CCSCCNC(=O)C(=O)NCCS(=O)(=O)CC=C 1323104590 NAGULLHOEALUDB-UHFFFAOYSA-N 318.420 -0.814 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)NCCCn1cc(CO)nn1 1323832468 AGXCNKBMLKMMTK-JTQLQIEISA-N 316.387 -0.771 30 20 DBED N#CCN1CCC(NC(=O)N[C@H]2CCCS(=O)(=O)C2)CC1 1323843468 AGIGFIJRFDYDLB-LBPRGKRZSA-N 314.411 -0.149 30 20 DBED CN(C)C(=O)CN1CCC(NC(=O)C(=O)NCCCC#N)CC1 1326522432 SPOURQYYJLUQQA-UHFFFAOYSA-N 323.397 -0.925 30 20 DBED O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)NCC1CCC1 1326585544 LKBHPJAAJSTBML-SEYXRHQNSA-N 320.349 -0.455 30 20 DBED C#C[C@H](NC(=O)C(=O)N1C[C@H](C)[C@@](C)(CO)C1)[C@H]1CCCO1 1329030051 MIWXIHUTFCEBJP-BCUIYNNISA-N 308.378 -0.240 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2CO)CCN1C1CC1 1329272456 IGKSYOOHKCTEFN-CHWSQXEVSA-N 306.366 -0.832 30 20 DBED N#Cc1ccc2c(c1)N(C(=O)C(=O)N1CCCNC(=O)C1)CC2 1332331800 DXDKQHGNHYIQLO-UHFFFAOYSA-N 312.329 -0.204 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N(CC)CCC(=O)NC 1336132116 MXGSEMWLUYSXRI-LBPRGKRZSA-N 311.382 -0.484 30 20 DBED COc1ncc(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)cn1 1339084201 RDHIDJLRGHVJES-QBFSEMIESA-N 317.305 -0.259 30 20 DBED C=CCNC(=O)CNC(=O)C(=O)Nc1ccn([C@H](C)COC)n1 1343072276 YCPGNXKZTJISJY-SNVBAGLBSA-N 323.353 -0.553 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CCOC[C@H]1C[C@H](C)O 1344782918 FGZMDASDIVRHLG-QJPTWQEYSA-N 300.355 -0.698 30 20 DBED N#CCNC(=O)Cn1cc(CN2CCOCC2)cc(C#N)c1=O 1350120755 WWMNMGQXDGIPCU-UHFFFAOYSA-N 315.333 -0.808 30 20 DBED C=CCN(C(=O)C(=O)N1CC[C@@H](NC(C)=O)C1)[C@H](C)COC 1350282954 ULKJIPKYJBSNPD-DGCLKSJQSA-N 311.382 -0.227 30 20 DBED N#Cc1cn(CCC(=O)NC[C@H]2CCCC[C@@H]2O)c(=O)nc1O 1362441762 LYZUETIMRCGRRY-PWSUYJOCSA-N 320.349 -0.122 30 20 DBED CN(Cc1ncnn1CC(F)F)C(=O)Cn1cnc(C#N)n1 1362485636 GPSQFXROAQWYAF-UHFFFAOYSA-N 310.268 -0.335 30 20 DBED C[C@@H](CO)[C@@H]1CCCCN1C(=O)Cn1cc(C#N)c(O)nc1=O 1363239525 MEFJSBLEFUYFSH-JQWIXIFHSA-N 320.349 -0.170 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)NCc2cncc(F)c2)CCO1 1364027565 PKUKWIVWNSTGIU-LLVKDONJSA-N 300.315 -0.221 30 20 DBED CCN(CCC#N)C(=O)CN1CC(O)(CNC(=O)C2(C)CC2)C1 1376169856 NCBBGIQPYTZLNW-UHFFFAOYSA-N 322.409 -0.288 30 20 DBED COCCN(CCNC(=O)[C@H](C)C#N)C(=O)[C@]1(F)CCOC1 1384410235 LIJWMXLQKCKWMP-RISCZKNCSA-N 315.345 -0.134 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CCN(C(=O)c2cc(=O)n(C)cn2)C1 1385272587 XBIPNKSIGAHBGX-MNOVXSKESA-N 317.349 -0.387 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)c2cnccn2)C1 1401063109 WGXSZEKNTIFRMG-HZMBPMFUSA-N 303.322 -0.671 30 20 DBED C[C@@H](C#N)C(=O)NCC1CCN(C(=O)[C@H]2CC(=O)N(C)C2)CC1 1407342924 XHFPHOIUCLUHFN-AAEUAGOBSA-N 320.393 -0.021 30 20 DBED CCN(CCNC(=O)[C@@H](C)C#N)C(=O)CN(C)C(=O)C1CC1 1408790873 VIDYPAWUYOGYCE-NSHDSACASA-N 308.382 -0.021 30 20 DBED CC(C)n1ccc(CC(=O)NC[C@@H](O)CNC(=O)[C@H](C)C#N)n1 1410150970 MNXUTEMSJMMYAS-DGCLKSJQSA-N 321.381 -0.241 30 20 DBED C[C@@H](CN(C)C(=O)c1ccc(C(N)=O)nc1)NC(=O)[C@H](C)C#N 1425113737 TWRFJSPKCHLPGU-ZJUUUORDSA-N 317.349 -0.083 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1noc2c1COCC2 1431537801 ISDWYYZEDNEDIC-IUCAKERBSA-N 322.321 -0.886 30 20 DBED COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1cccc(C#N)n1 1433537424 SAZOIZWLAUXPEJ-IUCAKERBSA-N 304.306 -0.251 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N[C@H](C(N)=O)c1ccccn1 1434575818 MYHMZTOHNNZPBC-KOLCDFICSA-N 311.367 -0.324 30 20 DBED COCCN(CCNC(=O)[C@H](C)C#N)C(=O)c1cnn(C)c1N 1452150123 HBEPJZXUGDIDEQ-SNVBAGLBSA-N 322.369 -0.633 30 20 DBED CO[C@@H](C)CC(=O)NC[C@@H](O)CN(C)C(=O)c1cc(C#N)c[nH]1 1511516713 SJVWBZONMBJYAR-CMPLNLGQSA-N 322.365 -0.140 30 20 DBED C=C(Br)CNC[C@@H](O)CNC(=O)CNC(=O)O 1573322433 YVAMFJFGLBJWBH-SSDOTTSWSA-N 310.148 -0.771 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@@H](N=c2cc[nH]c(-c3nn[nH]n3)n2)C1 1573587153 WZBKMVRIDXQCOM-XHNCKOQMSA-N 313.325 -0.703 30 20 DBED C=CCOC[C@H](NS(=O)(=O)c1cccnc1C#N)C(=O)O 1588866686 PGQPUGHWXBACPV-JTQLQIEISA-N 311.319 -0.113 30 20 DBED C[C@H](C#N)C(=O)NCCCN(C)c1ccc(-c2nn[nH]n2)nn1 1588929063 HRLZUPRFAVHCPU-SECBINFHSA-N 315.341 -0.241 30 20 DBED COC(=O)[C@@H]1CC[C@H](S(=O)(=O)N(CC#N)CC(=O)O)C1 1606509479 FNPDBUFYIQFLJD-BDAKNGLRSA-N 304.324 -0.432 30 20 DBED Cn1c(N[C@H]2C[C@H]3C[C@@H](C(=O)O)C[C@@H]23)c(C#N)c(=O)n(C)c1=O 1608092020 XEEWVUFMMAFSER-CDLYGTGVSA-N 318.333 -0.133 30 20 DBED CS(=O)(=O)N1CCCC[C@@H]1C(=O)N1CC(O)(CC#N)C1 1645748261 YKVIMAJMZRQSDW-SNVBAGLBSA-N 301.368 -0.713 30 20 DBED CC(C)(C)NS(=O)(=O)CC(=O)N[C@H]1CCCN(CC#N)C1 1713064506 SYQQPJZLCWRRHL-NSHDSACASA-N 316.427 -0.192 30 20 DBED Cc1n[nH]c(C)c1CC(=O)NCC[C@H](C)NCC(=O)NCC#N 1717342841 MXLGKKIDURNQGR-JTQLQIEISA-N 320.397 -0.307 30 20 DBED C=CCN1CCN(CCNC(=O)[C@@]2(C)CCC(=O)NC2)CC1 1752370507 LDZCBXYRDRQDNK-INIZCTEOSA-N 308.426 -0.178 30 20 DBED C=CCOCCN[C@@H](C)CNC(=O)[C@H]1CCCS1(=O)=O 1752920051 QFBJEQVOQZPLIJ-NWDGAFQWSA-N 304.412 -0.140 30 20 DBED C=CCNC(=O)CNC[C@@H]1CCN(C(=O)CN2CCCC2=O)C1 1752928336 AEIQPHLAEDICTN-ZDUSSCGKSA-N 322.409 -0.651 30 20 DBED C#CCN(CCC)CCNC(=O)C1(n2cnnn2)CCOCC1 1753148865 QEXALELPTSCUFP-UHFFFAOYSA-N 320.397 -0.360 30 20 DBED C#CCNC(=O)CN1CC[C@H]2CN(C(=O)CCOC)CC[C@@H]21 1753887984 ZJORSKUGXOTQFF-KBPBESRZSA-N 307.394 -0.305 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)NC[C@H](C)NC(=O)C#CC1CC1 1754267314 FLEXHVKILZIRLW-RYUDHWBXSA-N 320.393 -0.106 30 20 DBED C=CCNC(=O)CN1CC(N(C)C(=O)c2ccc(C(N)=O)o2)C1 1754578044 RSVBWJPBILPNSO-UHFFFAOYSA-N 320.349 -0.563 30 20 DBED CN(C(=O)CCn1ccnc1)C1CN(CC(=O)NCC#N)C1 1754579533 STRKGWMMZNAPSM-UHFFFAOYSA-N 304.354 -0.944 30 20 DBED CNC(=O)NC(=O)CN[C@H]1CCN(C(=O)C#CC2CC2)[C@H](C)C1 1754591936 AZLVKBBUPQZZQN-YPMHNXCESA-N 320.393 -0.176 30 20 DBED C#CCNC(=O)CNC[C@@H]1CCCN1C(=O)c1nccn1CC 1754609230 SWECUDOKHZUMGQ-ZDUSSCGKSA-N 317.393 -0.153 30 20 DBED C=CCCCN1CC[C@](O)(CNC(=O)C2CN(C(C)=O)C2)C1 1754749465 VVSQFZBSGVPIEO-INIZCTEOSA-N 309.410 -0.016 30 20 DBED C=CCCNC1(CNC(=O)c2cn(C)c(=O)n(C)c2=O)CCC1 1754988026 OSHWEPFGQRXLAR-UHFFFAOYSA-N 320.393 -0.098 30 20 DBED C#CCNC(=O)CN1CCC[C@@H](NC(=O)[C@H](C)OCC#C)CC1 1755023481 ITBJMWWWWBBCLY-LSDHHAIUSA-N 319.405 -0.255 30 20 DBED CN(CC(C)(C)CNCC(=O)NCC#N)C(=O)Cn1ccnc1 1755287526 DBVHPXYZCTWTIV-UHFFFAOYSA-N 320.397 -0.403 30 20 DBED C#CCCN1CCC[C@H](NC(=O)CNS(=O)(=O)NC)[C@@H]1C 1755716097 JIFWDXBAKYOOLK-RYUDHWBXSA-N 316.427 -0.967 30 20 DBED C#CCNC(=O)CNC[C@@H]1CC[C@H](NC(=O)Cc2cnc[nH]2)C1 1755741380 IFRZMQLPRLMNJE-OLZOCXBDSA-N 317.393 -0.424 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCOCCNC(=O)CN1CCCC1 1756374988 IHPOPPBBCZOHPV-ZDUSSCGKSA-N 310.398 -0.167 30 20 DBED C=CCO[C@H](C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2[nH]nnc2C)C1 1757021768 DUZUBPVEIBWFNI-GMTAPVOTSA-N 323.353 -0.994 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1O 1757169316 VLDKMFRDWLWIRN-KGLIPLIRSA-N 314.345 -0.009 30 20 DBED C#CCNC(=O)CNS(=O)(=O)c1ccc(C(=O)O)c(C)c1 1776135044 PPPGMPHUIYYGOR-UHFFFAOYSA-N 310.331 -0.279 30 20 DBED C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CCCN(C)C3)C2)C1 1781004037 VFZPSSDHWARXGV-WMLDXEAASA-N 319.405 -0.209 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)n1ccnc1)CCO2 1783046409 NTLUXLYHRWCLSQ-CJNGLKHVSA-N 316.361 -0.093 30 20 DBED C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cn[nH]c1 1796575008 WIFCWAODAXFGGB-IXLVHKGHSA-N 324.406 -0.069 30 20 DBED C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CCN(C)CC1 1797838813 MYRADVYJZWSJKL-QDMKHBRRSA-N 318.421 -0.495 30 20 DBED C=C1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)CN)CCO3)C2)C1 1835541846 NWDBBTKCLCJGTN-MRXNPFEDSA-N 323.393 -0.632 30 20 DBED C[C@H](NC=O)C(=O)N1CCCC12CN(C(=O)C(C)(C)C#N)C2 1845176417 XIXHNGQGEVMPAP-NSHDSACASA-N 306.366 -0.126 30 20 DBED C=CCC(=O)N1CCCC12CN(C(=O)C[C@@H](NC)C(=O)O)C2 1846376047 ATIRIINDJXLVGN-LLVKDONJSA-N 309.366 -0.171 30 20 DBED C#CCCCCC(=O)N1CCCC12CN(C(=O)CNC(=N)N)C2 1846488226 OZHZWOVMHWOFRC-UHFFFAOYSA-N 319.409 -0.134 30 20 DBED N#CCCCS(=O)(=O)NCCCN1CCC[C@@H](C(N)=O)C1 111337734 YBFQYVLBXBTVOP-GFCCVEGCSA-N 316.427 -0.203 30 20 DBED CN1CCN(c2ncc(CN3CC(O)(CC#N)C3)cn2)CC1 190038330 OGSGLWPEAYHJTM-UHFFFAOYSA-N 302.382 -0.311 30 20 DBED Cc1cc(C#N)ccc1S(=O)(=O)NCCN1C(=O)CNC1=O 265897426 TTYJKBAVMMUDTH-UHFFFAOYSA-N 322.346 -0.303 30 20 DBED COc1ccc(S(=O)(=O)NCCn2cnc(C#N)n2)cn1 285665671 QAHYTMRLCJRXCR-UHFFFAOYSA-N 308.323 -0.468 30 20 DBED CCN1CCCN(C(=O)NCCn2cnc(C#N)n2)CC1=O 287007186 QMAIVKHDKKFIGM-UHFFFAOYSA-N 305.342 -0.586 30 20 DBED CCN1CN(/C(O)=N/CC2CN(S(=O)(=O)CC)C2)CC1=O 330065211 CVPDTZZYXGVJIB-UHFFFAOYSA-N 318.399 -0.697 30 20 DBED CC(C)N1C(=O)C[C@@H](NS(=O)(=O)N(C)[C@H](C)CC#N)C1=O 330425240 SELOFNHBMCSDDB-NXEZZACHSA-N 316.383 -0.409 30 20 DBED Cc1cc(NC(=O)CN2CCN(C)C(=O)C2)nn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c1ccc(C(N)=O)cc1 343001744 GIGRKNYZYCVMCC-JTQLQIEISA-N 323.374 -0.408 30 20 DBED CN(CC#N)S(=O)(=O)CCCS(=O)(=O)N(C)C1CC1 349520350 RBAGHHAKOHKQQN-UHFFFAOYSA-N 309.413 -0.414 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H](CCOC)C(=O)OC 352585275 CEJCPTNZKNWQCQ-MNOVXSKESA-N 321.399 -0.120 30 20 DBED CC(C)(CO)[C@@H](NS(=O)(=O)N1CCO[C@H](C#N)C1)C1CC1 352585631 HFGMTOSXWKVUCX-NEPJUHHUSA-N 317.411 -0.158 30 20 DBED COC(=O)[C@H]1CS(=O)(=O)CCN1Cc1nc(C#N)cs1 356411589 XSKGCTYHIHVBQZ-SECBINFHSA-N 315.376 -0.213 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCN[C@H](C)C2)CC1 358866874 SAZXHAHOMSZGIV-ZIAGYGMSSA-N 308.426 -0.179 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H]1CCS(=O)(=O)C1 407950584 AMNBQPYEUMVZRJ-ZJUUUORDSA-N 309.413 -0.511 30 20 DBED C=CCn1cc(CNC(=O)C(=O)NCC(N)(CC)CC)nn1 424545077 LGVCNYRWZIGEPO-UHFFFAOYSA-N 308.386 -0.286 30 20 DBED C#C[C@H](NC(=O)N1CCC(NS(=O)(=O)NC)CC1)C(C)C 491264955 IYBLVRJORVIULO-LBPRGKRZSA-N 316.427 -0.128 30 20 DBED CCOC(=O)N[C@H]1CCCN(C(=O)NCC(=O)NCC#N)C1 496144439 XVRGGBPPFRXHMF-JTQLQIEISA-N 311.342 -0.454 30 20 DBED N#C[C@H]1CN(C(=O)c2ccc(S(N)(=O)=O)cc2F)CCO1 536110497 XVLYFYYRBFSOFU-QMMMGPOBSA-N 313.310 -0.162 30 20 DBED C[C@@H](O)C(=O)N1CCN(S(=O)(=O)CC2(CC#N)CC2)CC1 578454228 UFHMRKJQAJEPPV-LLVKDONJSA-N 315.395 -0.465 30 20 DBED C[C@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)O 578507321 LPUAEPGBEHDHSN-QMMMGPOBSA-N 311.319 -0.574 30 20 DBED N#CC1CN(C(=O)Nc2ccn(CCN3CCOCC3)n2)C1 590118853 HVSJDJWXPVWOIG-UHFFFAOYSA-N 304.354 0.203 30 20 DBED C[C@H]1CC[C@@H](C(=O)O)CN1c1c(C#N)c(=O)n(C)c(=O)n1C 595973204 HHRCNAVONQYVTE-DTWKUNHWSA-N 306.322 -0.355 30 20 DBED C=CCC[C@@H](NC(=O)CC[C@H]1NC(=O)NC1=O)C(=O)OCC 597732489 ITQZJEFRVZMKSP-NXEZZACHSA-N 311.338 -0.011 30 20 DBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC/C=C/CO 597994392 WZIZXJSTIVEORN-KXMPLOMGSA-N 323.374 -0.110 30 20 DBED C=CC[C@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C(=O)O 600652232 QSSWYRBDPJDWOL-LURJTMIESA-N 304.284 -0.364 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N(C)CCOCCN 627290681 XQWZKGSPBGVHOT-OLZOCXBDSA-N 313.398 -0.483 30 20 DBED C=CCN(C(=O)[C@@H]1COCCN1CC)[C@@H]1CCS(=O)(=O)C1 636826604 MAAAZWUZFRYUMC-OLZOCXBDSA-N 316.423 -0.091 30 20 DBED CC#CC[C@H](CO)NC(=O)N[C@H](CC)C(=O)N1CCOCC1 645351993 IXGLACLUJNPIBH-CHWSQXEVSA-N 311.382 -0.303 30 20 DBED N#CCNC(=O)COC(=O)[C@@H]1CC[C@H](C(F)(F)F)NC1=O 731240185 FMEOSBADUPZVRE-RNFRBKRXSA-N 307.228 -0.374 30 20 DBED NC(=O)CNC(=S)NN=Cc1ccc(OCC(=O)O)cc1 731930098 QDPKBWHWIOFLON-UHFFFAOYSA-N 310.335 -0.567 30 20 DBED N#Cc1c[nH]c(C(=O)NCCS(=O)(=O)N2CCOCC2)c1 748300601 XJGGFWFTBVTOPX-UHFFFAOYSA-N 312.351 -0.722 30 20 DBED C#CCOCCC(=O)OCC(=O)NC(=O)N[C@H](C)COC 756304847 NVGTVTJCQZRAJG-SNVBAGLBSA-N 300.311 -0.570 30 20 DBED COCCN1CCN(C(=O)NCc2ccc(C#N)cn2)CC1=O 780658918 TUOGGWXFPFBOON-UHFFFAOYSA-N 317.349 -0.047 30 20 DBED C=CCOCCOC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 797295787 VESWTQIZQLIUTH-AAXDQBDMSA-N 309.318 -0.105 30 20 DBED C#CCC[C@H](O)CNS(=O)(=O)CCCN1CCOCC1 798487088 ZAQQVCGKAGQXGG-ZDUSSCGKSA-N 304.412 -0.598 30 20 DBED C#CC[C@@H](NC(=O)C1=C(C)N(C)c2nnnn2C1)C(=O)OC 837948690 XSMLXFUXKHLSKG-SNVBAGLBSA-N 304.310 -0.922 30 20 DBED COCCN(CCC#N)S(=O)(=O)N(CC(=O)O)C1CC1 844795417 PIVXAURQEJBKGL-UHFFFAOYSA-N 305.356 -0.358 30 20 DBED C=CCNC(=O)COC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 845929434 UQGFYZWYCXRNAL-TXFQPVFDSA-N 318.329 -0.361 30 20 DBED C=CCN1CC[C@H](OC(=O)Cn2cc(C(=O)OC)cn2)C1=O 859973013 MMLJQUGQAWCENM-NSHDSACASA-N 307.306 0.000 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N1CCN(C(C)=O)C[C@@H]1C 875597422 CZIWKJGGOMXGSG-GXTWGEPZSA-N 323.393 -0.390 30 20 DBED C#CCNC(=O)C1CCN(C(=O)Nc2ccc(=O)n(C)n2)CC1 879896626 DAQUZAOCYBPDMW-UHFFFAOYSA-N 317.349 -0.226 30 20 DBED C#CCNC(=O)CN1CCCN(S(=O)(=O)C2CCC2)CC1 881907145 CXXWKTQFXMSUOR-UHFFFAOYSA-N 313.423 -0.374 30 20 DBED C=C[C@@H](CC)CC(=O)N1CCN(C(=O)Cn2cnnn2)CC1 931688935 OTALCDHSMYNKNJ-LBPRGKRZSA-N 306.370 -0.054 30 20 DBED CN(C(=O)c1cnn[nH]1)[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 937047875 AOUAUWIJJRCUQC-SNVBAGLBSA-N 313.321 -0.009 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](NC(=O)c2ccc(=O)n(C)n2)[C@H](C)C1 940417410 XCXYSYDJBSFFHR-HOSYDEDBSA-N 317.349 -0.483 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)c3nc[nH]n3)C2)cn1 941879491 HMXHXSIQASLUFF-GFCCVEGCSA-N 310.317 -0.175 30 20 DBED C#CCCN1CC[C@H](NC(=O)CN2CCOCC2=O)[C@H](C)C1 942128879 HTFASSRJJCMDEW-KGLIPLIRSA-N 307.394 -0.305 30 20 DBED CO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1NC(=O)c1c(C)cnn1C 945388467 WNGPIDRAEXIXMH-YUSALJHKSA-N 319.365 -0.156 30 20 DBED C=C1CCC(C(=O)N[C@@H]2CN(C(=O)C(N)=O)C[C@H]2OC)CC1 946584994 FQVWLISJIFMUSX-VXGBXAGGSA-N 309.366 -0.440 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)C[C@@H]1C 948069211 DIKZNXVSMYIOKX-RYUDHWBXSA-N 318.381 -0.631 30 20 DBED C=C(Cl)CN1CCOC2(CCN(C(=O)C(N)=O)CC2)C1 949458688 NWQAIILWQDZOQU-UHFFFAOYSA-N 301.774 -0.082 30 20 DBED O=C1NC[C@@H](C(=O)N2CCN(CC#Cc3ccccc3)CC2)N1 949953259 GAIHECFUYJJYEW-HNNXBMFYSA-N 312.373 -0.136 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(Cc2nnn(C)n2)CC1 950590292 JNVBSMCTDFACJZ-NEPJUHHUSA-N 306.370 -0.555 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)Cn1nccn1 952175176 AJLLRVZNZYZKOZ-UPJWGTAASA-N 319.365 -0.414 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@]2(CCN(C(=O)Cn3nccn3)C2)C1 953174134 GJQCJMICTKRQNI-WFASDCNBSA-N 316.365 -0.111 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)C(N)=O)C[C@@H]2C)nc1 955757752 CNNAAADYNUBOGO-CMPLNLGQSA-N 314.345 -0.343 30 20 DBED CC#CCN1C[C@@H](O)[C@H](CNC(=O)c2ccnn2CCOC)C1 958171034 FWGKCGHHQYFPHN-UKRRQHHQSA-N 320.393 -0.425 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2CN(CC(N)=O)C[C@@H]2O)cc1 958308921 CXOJYXMLZAWSNH-KBPBESRZSA-N 301.346 -0.824 30 20 DBED C=CCN1C[C@@H](O)[C@H](CNC(=O)c2cnn3c(=O)cc[nH]c23)C1 958467232 GTUWWKLUHSNIDO-ZYHUDNBSSA-N 317.349 -0.769 30 20 DBED C=CCN1C[C@H]2[C@H](NC(=O)c3cc(=O)n4[nH]cnc4n3)[C@H]2C1 962277604 ABNZYKLQUCTLOQ-GDGBQDQQSA-N 300.322 -0.736 30 20 DBED CC[C@@H](C(=O)N1CC2(C1)CN(C(=O)[C@H](C)C#N)CCO2)N(C)C 965469487 ZTBGSGXUNWVEKR-OLZOCXBDSA-N 322.409 -0.074 30 20 DBED CO[C@@H](C)C(=O)N1CC(N2CCN(C(=O)[C@@H](C)C#N)CC2)C1 967244682 OGPPWHHAWJNHGZ-RYUDHWBXSA-N 308.382 -0.464 30 20 DBED CN(CCN1CCNC1=O)[C@@H]1CCN(C(=O)C#CC2CC2)C1 971511085 ITEFARLSMIBFHQ-CQSZACIVSA-N 304.394 -0.042 30 20 DBED CN(C[C@@H]1CCN1C(=O)C#CC1CC1)C(=O)c1cnn(C)n1 978009265 NWIBGQVHUALQMN-LBPRGKRZSA-N 301.350 -0.099 30 20 DBED C#CCCN1C[C@@H]2C(CNC(=O)[C@@H]3CCS(=O)(=O)C3)[C@H]2C1 978429514 ZYHYYGVDUVALMR-MRVWCRGKSA-N 310.419 -0.262 30 20 DBED C#CCN1CCC(C(=O)N[C@@H]2CCC[C@H](NCC(N)=O)C2)CC1 981542641 VJNAZOZIGPYIKW-LSDHHAIUSA-N 320.437 -0.166 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](CNC(=O)c2ccc(O)nn2)C1 983212437 FOZAXMFKLNESEY-UWVGGRQHSA-N 303.322 -0.080 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H](N(C)C(=O)c2nnn(C)n2)C1 984584307 GVRFABQPIFKDFB-VHSXEESVSA-N 305.342 -0.567 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](CN(C)C(=O)c2cnnn2C)C1 988288343 SXJKQJVOFOZPEX-WDEREUQCSA-N 304.354 -0.105 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](CN(C)C(=O)c2cn(C)nn2)C1 988289948 ZHAUHERHFKFFMG-GHMZBOCLSA-N 304.354 -0.105 30 20 DBED C[C@@H]1C[C@@H](NCC#N)CN1C(=O)c1cnn2c(=O)cc[nH]c12 989534271 TUCXNIMOAAUPDW-NXEZZACHSA-N 300.322 -0.261 30 20 DBED CC(=O)N1CC(C(=O)N2CC(NC(=O)c3cc(C#N)c[nH]3)C2)C1 990692953 HWEQWJZVDBRODE-UHFFFAOYSA-N 315.333 -0.695 30 20 DBED C#Cc1ccc(C(=O)N2CC(NC(=O)[C@@H]3CNC(=O)N3)C2)cc1 998680904 RANUAIUGDHKMSS-ZDUSSCGKSA-N 312.329 -0.710 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@H]2CCOC2)C1 1001128163 DVJGEQTVWSEPPS-GJZGRUSLSA-N 319.405 -0.305 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CCN(Cc2nnnn2C)CC1 1003648836 AOIRJPYQXOIEKN-OLZOCXBDSA-N 320.397 -0.118 30 20 DBED C[C@@H](C#N)C(=O)N1CCCC2(CN(C(=O)c3nnn(C)n3)C2)C1 1010789747 SZPRCIBIFUMUQG-JTQLQIEISA-N 317.353 -0.566 30 20 DBED O=C1NCC[C@@H]1C(=O)NC1[C@H]2CN(C(=O)C#CC3CC3)C[C@H]12 1013538893 ASOSAJXXSMBLQH-SRVKXCTJSA-N 301.346 -0.891 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(Cc2nnnn2C)C1 1015721979 QIJROXABHYGESB-TUAOUCFPSA-N 306.370 -0.508 30 20 DBED C#CCN1CCC2(CC1)C[C@@H]2NC(=O)CN1CCOCC1=O 1016663193 YHXPYLWKCUOUSP-ZDUSSCGKSA-N 305.378 -0.551 30 20 DBED N#Cc1cccc(CN[C@H]2CCN(C(=O)Cn3cnnn3)C2)c1 1018482830 VTTDWZWVUGUMLL-AWEZNQCLSA-N 311.349 -0.065 30 20 DBED C=CCN1CC[C@@H](N[C@H]2C[C@H](NC(=O)[C@@H]3COCCO3)C2)C1=O 1019998533 NAMTWPGJYDLNQD-SYQHCUMBSA-N 323.393 -0.575 30 20 DBED C=CCN1CC[C@@H](N[C@H]2C[C@H](NC(=O)[C@H]3CCNC3=O)C2)C1=O 1020467510 BASQLRQNFZFZEJ-ZDEQEGDKSA-N 320.393 -0.854 30 20 DBED C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 1022783659 UAINKOWUBFKYIO-YIZRAAEISA-N 300.746 -0.426 30 20 DBED Cc1nn(C)c(C)c1C(=O)N[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1O 1024852646 ICLCBNYVISAKQZ-GGZOMVNGSA-N 319.365 -0.502 30 20 DBED N#CCN1CCC[C@H]1CNC(=O)c1ccc(-n2cnnn2)cn1 1028046987 NDSQCWIRDJKCCX-NSHDSACASA-N 312.337 -0.225 30 20 DBED CN(C)C(=O)[C@@H]1CC[C@H](C(=O)NC[C@H]2CCN(CC#N)C2)O1 1028802831 OMFMQHZPHJNLKO-UPJWGTAASA-N 308.382 -0.416 30 20 DBED Cn1c(O)ncc(C(=O)N[C@@H]2CCCCN(CC#N)C2)c1=O 1034346550 ZZBBIKUWKXYXFX-SNVBAGLBSA-N 305.338 -0.406 30 20 DBED CC#CCN1CCO[C@H](CNC(=O)c2cncc(OC)n2)C1 1035537480 QYSNYGWBUZTHDU-GFCCVEGCSA-N 304.350 -0.061 30 20 DBED C#CCN[C@@H]1CCN(C(=O)c2nc(O)nc(O)c2OC)C[C@H]1C 1036256725 HKQJRSFTUXDVFM-NXEZZACHSA-N 320.349 -0.030 30 20 DBED C#CCCCC(=O)NC[C@]1(O)CCN(C(=O)c2ccn(C)n2)C1 1039576779 XHNBZTJFRWGDBI-MRXNPFEDSA-N 318.377 -0.083 30 20 DBED C#CCN1CCC[C@]2(CCN(C(=O)CN3C(=O)CNC3=O)C2)C1 1040519314 KVAKWYAYGHOBNI-INIZCTEOSA-N 318.377 -0.514 30 20 DBED C=CCC1(C(=O)N2CC[C@@](O)(CNC(=O)C(N)=O)C2)CCC1 1040743935 QXUQCRKDRMOKRW-OAHLLOKOSA-N 309.366 -0.702 30 20 DBED CCc1cc(C(=O)N2CC[C@@](O)(CNC(=O)[C@H](C)C#N)C2)n[nH]1 1040764033 SYDQUFUYDWHLGM-MEBBXXQBSA-N 319.365 -0.175 30 20 DBED O=C(NC[C@@]1(O)CCN(C(=O)C#CC2CC2)C1)[C@@H]1CCOC1 1040791146 QYZJWGOCRQDLQZ-CJNGLKHVSA-N 306.362 -0.484 30 20 DBED CN1CCC[C@@H]1C(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@H]1O 1040943558 CTBMCRIJXBDXIK-MGPQQGTHSA-N 315.377 -0.287 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)c2cncs2)C1 1041738396 JKSBMQPADVDHLV-UHFFFAOYSA-N 311.363 -0.351 30 20 DBED N#CCN1CC[C@@H]2CCN(C(=O)CN3CCC(=O)NC3=O)C[C@@H]21 1042304609 PVVYCACHSHNDIM-NEPJUHHUSA-N 319.365 -0.625 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)c2cc(C)[nH]n2)C1 1042802579 LEJPEKUZGCBZFY-UHFFFAOYSA-N 304.350 -0.175 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)CCCC(C)=O)C1 1043035673 ANKYTQGDIXBMLH-CYBMUJFWSA-N 324.377 -0.527 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)c2cnco2)C1 1043040444 RWULXEMHYNQBGT-UHFFFAOYSA-N 307.306 -0.982 30 20 DBED C[C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1Nc1cnc(C#N)cn1 1043343060 AQLLBRMJTZQXBA-ZYHUDNBSSA-N 312.337 -0.101 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)Cn2ccnc2)C1 1043715771 YPWATQCAFFXIJO-LBPRGKRZSA-N 322.365 -0.836 30 20 DBED N#Cc1cnccc1N1C[C@H](O)[C@H](NC(=O)c2cnns2)C1 1043864765 YIFIJUJYVYOXPM-KOLCDFICSA-N 316.346 -0.216 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)[C@@H]2CCNC2=O)C1 1044463225 AMHJRAOHXHZSQG-SNVBAGLBSA-N 309.366 -0.976 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)[C@]2(F)CCOC2)C1 1045137439 GMDGEELCMCBMER-HNNXBMFYSA-N 312.341 -0.392 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)[C@]2(C)CCOC2)C1 1045302158 GLKFAWLBQJESFA-IUODEOHRSA-N 324.377 -0.859 30 20 DBED C#CCN1CC[C@](C)(NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 1046318428 CTCXSHZSXVVMDK-LRDDRELGSA-N 315.377 -0.024 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@H](C)C#N)C1 1046813968 DDAIHBBRUOIOFU-UTUOFQBUSA-N 307.350 -0.573 30 20 DBED C=CCOCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CNC(C)=O)C2 1047399231 LTQYAMJWPJQICZ-MJBXVCDLSA-N 323.393 -0.179 30 20 DBED N#Cc1ccccc1CNC[C@@H]1CN(C(=O)C(N)=O)CCO1 1051794051 GJLLXFCRTRPFMC-CYBMUJFWSA-N 302.334 -0.639 30 20 DBED C=C(C)CN1CC2(C1)CN(C(=O)[C@H]1CCN(C)C1=O)CCO2 1053381985 CNFLYKJXBRZBNB-ZDUSSCGKSA-N 307.394 -0.046 30 20 DBED C=C(C)CN1CC2(CC[C@H](CNC(=O)[C@H]3CN(C)C(=O)N3)O2)C1 1053634518 VKCPEGCSATVSQX-CHWSQXEVSA-N 322.409 -0.064 30 20 DBED CN1CCOC[C@H]1C(=O)N1CCN(c2nccnc2C#N)CC1 1055753752 BBAFNXXSTMLPKP-ZDUSSCGKSA-N 316.365 -0.673 30 20 DBED C#CCCCC(=O)N[C@@]1(CO)CCCN(C(=O)c2cnon2)C1 1055910351 MQVKGMYNPBQEST-HNNXBMFYSA-N 320.349 -0.044 30 20 DBED C[C@H](C#N)C(=O)N[C@@]1(CO)CCCN(C(=O)CCCC(N)=O)C1 1056097616 SMHCKDVLWQCNMH-ABAIWWIYSA-N 324.381 -0.729 30 20 DBED N#Cc1ccc(N2C[C@H]3C(NC(=O)[C@H]4C[C@H]4C(N)=O)[C@@H]3C2)cn1 1056406148 BCPBHTJNWSSJAU-YVECIDJPSA-N 311.345 -0.375 30 20 DBED C=CC(C)(C)C(=O)NCCN(CCO)C(=O)c1ccc(O)nn1 1056889544 SWZHVYGAHYGLPZ-UHFFFAOYSA-N 322.365 -0.055 30 20 DBED CN(c1cncc(C#N)n1)[C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 1057013139 XVRWUCRRMAAHSC-WDEREUQCSA-N 315.337 -0.933 30 20 DBED C#CCCCCC(=O)N(CCO)CCNC(=O)[C@H]1C[C@H]1C(N)=O 1057389777 ILVBDBQQYCIOSU-OLZOCXBDSA-N 323.393 -0.762 30 20 DBED C=CC(C)(C)CC(=O)NCCN(CCO)C(=O)c1cnnn1C 1057474335 JJNZKXYCWHCCMJ-UHFFFAOYSA-N 323.397 -0.032 30 20 DBED C=C(C)CCC(=O)N(CCO)CCNC(=O)[C@H]1CCC(=O)N1 1057804473 JTSMVTKBCOTCRU-GFCCVEGCSA-N 311.382 -0.442 30 20 DBED C[C@@H](C(=O)N[C@H]1CCN(c2ccnc(C#N)n2)C1)n1cncn1 1058318785 GFXJUBNDYCCIJD-QWRGUYRKSA-N 312.337 -0.104 30 20 DBED CN1CCOC[C@H]1C(=O)N[C@@H]1CCN(c2ncccc2C#N)C1 1058319002 KUEHTFYBHDLJHT-KGLIPLIRSA-N 315.377 -0.021 30 20 DBED N#Cc1ccc(N2CC[C@H](NC(=O)[C@@H]3COC(=O)N3)C2)nc1 1058350435 KWPBCDLYUWERRZ-QWRGUYRKSA-N 301.306 -0.243 30 20 DBED Cc1cc(C#N)nc(N2CC[C@H](NC(=O)Cn3ncnn3)C2)n1 1058452596 WGIZQZWSPGAGDN-JTQLQIEISA-N 313.325 -0.962 30 20 DBED C=C(C)C[C@@H](C)C(=O)N(CCO)CCNC(=O)c1nnn(C)n1 1058466172 HYLZFEHIBGRYJD-LLVKDONJSA-N 324.385 -0.637 30 20 DBED C=CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)CCN(C)C 1058709354 RSRBUEYGVSCYEU-ZDUSSCGKSA-N 315.414 -0.534 30 20 DBED O=C(C#CC1CC1)NCC[C@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 1059573987 IIKGVCYIHRAHAP-STQMWFEESA-N 319.361 -0.137 30 20 DBED C#CCCCC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H](C)CC(N)=O 1061749602 JCLSMXAEQPWUBS-STQMWFEESA-N 323.393 -0.355 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)c1cnsn1 1061845207 FBUQGIZTHNNNBI-BDAKNGLRSA-N 309.351 -0.345 30 20 DBED C=CCOCC(=O)NC1(CNC(=O)[C@@H](C)CC(N)=O)CCC1 1063903435 RVPLOJFAIYQGFA-NSHDSACASA-N 311.382 -0.144 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)Cn2cccn2)CCO1 1064855545 XBTHYXATDZUHSJ-AWEZNQCLSA-N 318.377 -0.114 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CN(C(=O)CCn2cccn2)CCO1 1064872967 OPHLAWDWSDFGKV-QWHCGFSZSA-N 319.365 -0.224 30 20 DBED C=CCCC(=O)N1CCO[C@H](CNC(=O)[C@H]2COCCO2)C1 1064955336 FRGUGUGGMYTSAF-CHWSQXEVSA-N 312.366 -0.288 30 20 DBED C=CCOCC(=O)N1CCO[C@@H](CNC(=O)c2cncn2C)C1 1064972014 NLMUHMRYRUBYDP-LBPRGKRZSA-N 322.365 -0.420 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CN(C(=O)Cc2ccon2)CCO1 1064997187 QHVSKLRQJPZBPC-JQWIXIFHSA-N 306.322 -0.280 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CN(C(=O)c2ncccc2O)CCO1 1065074324 VBSQTNSRZFKQDV-QWRGUYRKSA-N 318.333 -0.096 30 20 DBED C#CCO[C@H](C)C(=O)N1CCO[C@H](CNC(=O)c2ccon2)C1 1065151668 BDXGCQZPJALZFC-VXGBXAGGSA-N 321.333 -0.330 30 20 DBED CC#CCCCC(=O)N1CC2(CN(C(=O)CC(N)=O)CCO2)C1 1068363242 JDYGXEZKGHZUQN-UHFFFAOYSA-N 321.377 -0.505 30 20 DBED C#CCCCCC(=O)N1CC2(C[C@H](NC(=O)CC(N)=O)CO2)C1 1068779526 OEVULBRLUWDTHY-LBPRGKRZSA-N 321.377 -0.459 30 20 DBED CC(C)C#CC(=O)N[C@H]1COC2(C1)CN(C(=O)c1cnon1)C2 1068859795 WCLDLKBDZKBMBG-LLVKDONJSA-N 318.333 -0.171 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1COC2(C1)CN(C(=O)Cc1cnc[nH]1)C2 1069009153 XEHUICNBLMYFDN-ZYHUDNBSSA-N 317.349 -0.402 30 20 DBED C#CCCCC(=O)NCC1(NC(=O)CNC(C)=O)CCOCC1 1069953969 IYRXZLPXBUZDEN-UHFFFAOYSA-N 323.393 -0.292 30 20 DBED CC#CCCCC(=O)NCC1(NC(=O)C(N)=O)CCOCC1 1070230070 UXRVAWVXYPKMGC-UHFFFAOYSA-N 309.366 -0.553 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)C(C)(C)C(N)=O)C[C@@]3(C1)O2 1070812996 FBIVQELWPQVZLK-XHBSWPGZSA-N 305.378 -0.567 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)Cc4nonc4C)C[C@@]3(C1)O2 1070874838 YRKTXIABQWAVNK-WOSRLPQWSA-N 316.361 -0.145 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)[C@H]2CN(C)C[C@@H]2C)CC1 1071000367 ZZGFAALDUAHDTO-GJZGRUSLSA-N 320.437 -0.532 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@]2(CCN(CC(N)=O)C2)O1 1071166897 PMFCVGRHQZEONX-MLGOLLRUSA-N 305.378 -0.423 30 20 DBED C=CCCOCC(=O)N1C[C@@H](NC(=O)c2nc[nH]n2)[C@H](C)C1 1072337873 XWZSNVYZXGKKPN-GHMZBOCLSA-N 307.354 -0.026 30 20 DBED CC#CCN1CCCO[C@@H](CNC(=O)c2ccc(C(N)=O)[nH]2)C1 1073766929 SCNVOUXCJLBZMZ-LBPRGKRZSA-N 318.377 -0.042 30 20 DBED C=CCOCCCC(=O)N[C@@H]1CCN(C(=O)C(N)=O)C[C@@H]1C 1073856181 ZPCMWXOXYMMYRH-NWDGAFQWSA-N 311.382 -0.192 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CCN(C(=O)C(F)F)C[C@@H]1C 1073889993 DGHPIGDWKYMUBQ-UWVGGRQHSA-N 315.320 -0.256 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CCN(C(=O)c2cnon2)CC1 1074688179 PDGWVIPNBMKEBX-SECBINFHSA-N 307.310 -0.687 30 20 DBED C#CCCCC(=O)N[C@H]1CCN(C(=O)Cn2ncnn2)[C@H](C)C1 1074962728 CETZDFRZPIQRRO-OLZOCXBDSA-N 318.381 -0.028 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCn3cc(C)nc3C2)C1 1077229143 OOMBQFLHOCLRAQ-RBSFLKMASA-N 316.405 -0.061 30 20 DBED C[C@@H](CCNC(=O)[C@H]1CCC(=O)NC1)NC(=O)C#CC1CC1 1077283336 WUOBZZNAEUIMQW-AAEUAGOBSA-N 305.378 -0.063 30 20 DBED N#Cc1cccc(CN2C[C@@H](O)[C@H](NC(=O)c3cnon3)C2)c1 1077872292 KJPZOXITNSGCPU-ZIAGYGMSSA-N 313.317 -0.084 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)C[C@H]2NC(=O)c3ccccc32)C1 1077876950 QZKAQPLLNZUSDW-MGPQQGTHSA-N 314.345 -0.454 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCS2(=O)=O)C1 1078203798 FEAUQKLTQBDZLY-UPJWGTAASA-N 316.423 -0.309 30 20 DBED C#CCN[C@H]1C[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)C12CCC2 1078782646 CYUBSGBLYINFSP-NWDGAFQWSA-N 318.377 -0.469 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(N(CC)C(=O)C(N)=O)C1 1080407345 XVWIRGFJUCYCGE-RYUDHWBXSA-N 309.366 -0.488 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)c2nccnc2N)C[C@H]1O 1081332548 HKSOLTYUFSXOMV-WDEREUQCSA-N 319.365 -0.426 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C[C@H]1O 1081333087 ONOVDGFTWQGFGX-RLPMIEJPSA-N 308.378 -0.220 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)c2csnn2)C[C@@H]1O 1081463829 SHBAIFXDLWGASW-PWSUYJOCSA-N 322.390 -0.253 30 20 DBED C=C1CC(C)(C(=O)NC[C@H]2CN(C(=O)CC(N)=O)C[C@@H]2O)C1 1081752351 ICNMRADRNVKACG-QWRGUYRKSA-N 309.366 -0.846 30 20 DBED Cc1nnc(CN2C[C@H]3[C@@H](C2)OCCN3C(=O)[C@H](C)C#N)o1 1083026190 QZTVIANPCZXGKF-ADEWGFFLSA-N 305.338 -0.051 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)c2c(OC)ncnc2OC)C1 1084118795 OLENQAMPOKBPAA-MNOVXSKESA-N 322.365 -0.155 30 20 DBED CC1(C)NC(=O)N(CC(=O)N2C[C@H]3CCN(CC#N)C[C@H]32)C1=O 1084812340 AMZOSPIIXORHHQ-GHMZBOCLSA-N 319.365 -0.627 30 20 DBED C=CCN[C@H]1C[C@@H](CNC(=O)c2c[nH]nc2S(N)(=O)=O)C1 1086193506 DLPROSLSXHEKPZ-DTORHVGOSA-N 313.383 -0.659 30 20 DBED C#CCN[C@H]1C[C@@H](CNC(=O)c2cc(=O)n3[nH]cnc3n2)C1 1086253273 YYNMSMRUAGWJDC-AOOOYVTPSA-N 300.322 -0.851 30 20 DBED N#CCN1CC[C@@H]2CN(C(=O)C3CC(=O)NC(=O)C3)C[C@@H]2C1 1088139999 OOBUURYAJXOKMN-PWSUYJOCSA-N 304.350 -0.657 30 20 DBED C[C@H](C[C@@H](C)Nc1ccc(C#N)nn1)NC(=O)Cn1cnnn1 1089215400 PLUTZLHSFYPVPY-NXEZZACHSA-N 315.341 -0.270 30 20 DBED CS(=O)(=O)CC(=O)N1C[C@H]2CC[C@H]1[C@@H]1CN(CC#N)C[C@@H]21 1089780426 DEUWJOCQKQZXKQ-XQHKEYJVSA-N 311.407 -0.277 30 20 DBED CN(C)c1ccncc1C(=O)N[C@@H]1CCN(CC#N)C[C@H]1O 1090733915 IHBGPTNLWLOLLN-TZMCWYRMSA-N 303.366 -0.164 30 20 DBED CN(C)C(=O)CC(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@@H]1O 1091187890 NOTMOXJTILQRQO-NEPJUHHUSA-N 317.349 -0.903 30 20 DBED C#CCN1CC(OC2CCN(C(=O)C[C@H]3CCNC3=O)CC2)C1 1093542275 RQAHJZJMAGHJDJ-CYBMUJFWSA-N 319.405 -0.162 30 20 DBED CC(C)(C)[C@@H](NC(N)=O)C(=O)NCCNc1ccc(C#N)nn1 1093745007 NLLAODXGBWPSBS-NSHDSACASA-N 319.369 -0.041 30 20 DBED CCc1nc(C#N)cc(NCCCNC(=O)[C@@H]2COC(=O)N2)n1 1094387973 KWZPKSRSNTUTIU-JTQLQIEISA-N 318.337 -0.063 30 20 DBED N#Cc1nc(=NCCCNC(=O)C[C@H]2CCC(=O)N2)cc[nH]1 1094494622 VALXTDQWLUCFDN-SNVBAGLBSA-N 302.338 -0.643 30 20 DBED C#CCO[C@@H](C)C(=O)NCCCNc1nccn2nnnc12 1094594373 DUJNYQKQSNJWSJ-JTQLQIEISA-N 303.326 -0.524 30 20 DBED N#Cc1ccc(C(=O)N2C[C@H]3C[C@@H](NCC(N)=O)C[C@H]2C3)[nH]1 1094899760 SZLLKMIFIBCGFY-MVWJERBFSA-N 301.350 -0.046 30 20 DBED CS(=O)(=O)CCC(=O)N1CC[C@@H](Nc2cnc(C#N)cn2)C1 1095087398 RVYBSAYEGUEXFB-SNVBAGLBSA-N 323.378 -0.204 30 20 DBED COC(=O)NCC(=O)NCCCN(C)c1nccnc1C#N 1095483996 QCGSJOAOOVMCFD-UHFFFAOYSA-N 306.326 -0.353 30 20 DBED CN(CCCNC(=O)Cc1nc[nH]n1)c1cnc(C#N)cn1 1095636856 LMDBEXNGTSDESJ-UHFFFAOYSA-N 300.326 -0.348 30 20 DBED C[C@@H](C#N)C(=O)NCCN1CCN(c2ccnc(C#N)n2)CC1 1096278173 MTPOGILUZXICQV-LBPRGKRZSA-N 313.365 -0.254 30 20 DBED N#Cc1cnc(N[C@@H](CNC(=O)[C@@H]2CCNC2=O)C2CC2)cn1 1096782367 BERLNUKUNFLYSU-NEPJUHHUSA-N 314.349 -0.209 30 20 DBED N#Cc1cnc(N[C@H]2CCN(C(=O)CNC(=O)C3CC3)C2)cn1 1096917176 HUMJMZFHKAGMFB-NSHDSACASA-N 314.349 -0.113 30 20 DBED C[C@@H](C(=O)N[C@H]1C[C@@H](N=c2cc[nH]cc2C#N)C1)S(C)(=O)=O 1097264943 OSZZZCCNDLZVJC-ZMLRMANQSA-N 322.390 -0.133 30 20 DBED CNC(=O)CC(=O)NC[C@@H]1CCCCN1c1nccnc1C#N 1097421309 IHNUYSAMBBWFSY-NSHDSACASA-N 316.365 -0.041 30 20 DBED C#CCN(CCO)C1CCN(C(=O)c2cc(C(N)=O)co2)CC1 1098478154 XWXPRHSLSXDLRL-UHFFFAOYSA-N 319.361 -0.089 30 20 DBED C[C@H](CCNC(=O)Cn1ncnn1)Nc1cnc(C#N)cn1 1099552818 FLVRXSPSGOCQRT-SECBINFHSA-N 301.314 -0.658 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)c2ccc[nH]2)[C@H](O)C1 1099655035 VYZGDWIBIJNSPC-DGCLKSJQSA-N 306.366 -0.518 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)CCCCC)[C@H](O)C1 1099675237 JLWIRPJRCITOSV-ZIAGYGMSSA-N 309.410 -0.133 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)C#CC(C)(C)C)[C@H](O)C1 1099829590 GEOWDXTXJVHLCW-UONOGXRCSA-N 319.405 -0.663 30 20 DBED C=C(C)CCC(=O)N[C@@H]1CCN(CCOCCO)C[C@@H]1O 1099857727 BABWWPVDZXIJJN-KGLIPLIRSA-N 300.399 -0.097 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CCc2cncnc2)[C@@H](O)C1 1099925898 MMGGASLEEHUYML-CABCVRRESA-N 302.378 -0.016 30 20 DBED CC#CCN1CC[C@@H](NC(=O)COC2CCOCC2)[C@@H](O)C1 1100024725 OSHGCNUFJRSXJN-CABCVRRESA-N 310.394 -0.243 30 20 DBED CN(CCNC(=O)[C@H]1COCCN1C)c1cnc(C#N)cn1 1100028233 LDTQOWDEFRAOKR-GFCCVEGCSA-N 304.354 -0.769 30 20 DBED C=CCCN1CC[C@@H](NC(=O)COCc2nncn2C)[C@H](O)C1 1100057958 LDJGTUOQYQFKIG-CHWSQXEVSA-N 323.397 -0.541 30 20 DBED CN(CCNC(=O)c1cc(=O)n(C)o1)c1cncc(C#N)n1 1100077804 XFEVDOSSKSKZJO-UHFFFAOYSA-N 302.294 -0.494 30 20 DBED CN(CCNC(=O)CN1C(=O)CNC1=O)c1ccncc1C#N 1100096037 VQBKVFQXDJOHOH-UHFFFAOYSA-N 316.321 -0.943 30 20 DBED C=CCCN1CC[C@H](NC(=O)C(C)(C)NC(=O)NC)[C@@H](O)C1 1100126812 NIVPLTUMIYTBQR-RYUDHWBXSA-N 312.414 -0.179 30 20 DBED CN(CCNC(=O)C[C@@H]1CCNC1=O)c1ccc(C#N)nn1 1100193316 BGJQRYZJVTVCGH-JTQLQIEISA-N 302.338 -0.573 30 20 DBED C#CCCNC1CC(CNC(=O)CN(C)S(C)(=O)=O)C1 1100380227 VJTLIKPONDIZID-UHFFFAOYSA-N 301.412 -0.615 30 20 DBED C#CCNC1CC(CNC(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)C1 1100519218 WGJFOMYZBQMPHV-PQAZSJQKSA-N 307.394 -0.083 30 20 DBED CCN(CCNC(=O)c1c[nH]c(=O)cn1)c1cnc(C#N)cn1 1100701013 ARWFVRPBVPUMRV-UHFFFAOYSA-N 313.321 -0.312 30 20 DBED COCCOCC(=O)NC[C@H]1CCN(c2ccc(C#N)nn2)C1 1100950058 NAMXMDWZVZMNSN-GFCCVEGCSA-N 319.365 -0.046 30 20 DBED Cc1nnc(CC(=O)N(C)CCN=c2cc[nH]c(C#N)n2)o1 1101574690 YXZRTROTMYYDBO-UHFFFAOYSA-N 301.310 -0.425 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](C)[C@H](CNC(=O)COCC)C1 1101701767 JYLKXUCJISNARR-MGPQQGTHSA-N 309.410 -0.155 30 20 DBED CN(CCN1CCN(c2ccncc2C#N)CC1)C(=O)C(N)=O 1102422410 LPCXFDDDJJJSSO-UHFFFAOYSA-N 316.365 -0.981 30 20 DBED Cc1cc(=NC[C@](C)(NC(=O)C(N)=O)C2CC2)c(C#N)c[nH]1 1103565598 CEDBIURPAKIGGP-HNNXBMFYSA-N 301.350 -0.134 30 20 DBED C[C@@H](CN=c1cc[nH]cc1C#N)CNC(=O)[C@@H]1COCCN1C 1103923496 ZKZCFNNMJFXCIC-WFASDCNBSA-N 317.393 -0.130 30 20 DBED C#CCNCc1cn(C2CN(C(=O)c3cnsn3)C2)nn1 1105172017 YEDUBQRWCYDVDN-UHFFFAOYSA-N 303.351 -0.451 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)[C@@H]2COCCO2)nc1 1105779526 DFJPYVJZZAGVSP-NEPJUHHUSA-N 306.322 -0.742 30 20 DBED Cn1ccc(C(=O)NC[C@@H](O)CNc2cncc(C#N)n2)n1 1105854828 ADKTUBWUZSQVNA-JTQLQIEISA-N 301.310 -0.715 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)CCS(=O)(=O)NC)C[C@H]1C 1106123718 ZFPHXZHMDOHQDG-CHWSQXEVSA-N 315.439 -0.367 30 20 DBED CNC(=O)CCCC(=O)N[C@H](C)CCN=c1cc[nH]c(C#N)n1 1106286816 AEISTPGLGCQNFD-LLVKDONJSA-N 318.381 -0.007 30 20 DBED C[C@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)[C@H]1CCNC1=O 1106516656 VQTGBCGLSVAEIK-ZJUUUORDSA-N 302.338 -0.787 30 20 DBED N#Cc1c[nH]ccc1=NC/C=C/CNC(=O)C[C@@H]1CCNC1=O 1107375276 PGWGMGWLRRJZKZ-ISUDXETCSA-N 313.361 -0.014 30 20 DBED N#CCN1CC[C@@]2(CNC(=O)CN3CCNC(=O)C3)CCC[C@@H]12 1107500271 XQFFTTNRJWBSBM-CZUORRHYSA-N 319.409 -0.697 30 20 DBED CS(=O)(=O)CCC(=O)NC/C=C\CN=c1cc[nH]cc1C#N 1107576062 HHSOZIHKGAQUAE-IHWYPQMZSA-N 322.390 -0.106 30 20 DBED C[C@H](CNc1ccc(C#N)nn1)NC(=O)C[C@@H]1CC(=O)NC1=O 1107825649 APZAYNCCIXNFHZ-RKDXNWHRSA-N 316.321 -0.682 30 20 DBED CC(C)(C)C#CC(=O)N[C@H]1CC(=O)N(C2CN(CCCO)C2)C1 1108545452 WFOJYFUZYCZHGO-ZDUSSCGKSA-N 321.421 -0.180 30 20 DBED CO[C@@H](C(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1)C(C)C 1108569950 SNIKHFAENLFXQC-SMDDNHRTSA-N 308.382 -0.418 30 20 DBED C[C@@H](CNc1nccnc1C#N)NC(=O)[C@H]1CCS(=O)(=O)C1 1108604246 GNCWKCQCELDTSM-UWVGGRQHSA-N 323.378 -0.300 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cnn[nH]1)C2 1108719617 VJSQKCHTFBWSCJ-SRVKXCTJSA-N 316.365 -0.863 30 20 DBED C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2[C@@H](C)C(=O)NC(N)=O 1109066261 YCJVHNMTMDGJDY-USZNOCQGSA-N 324.381 -0.506 30 20 DBED C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1nnn(C)n1 1109072898 ULNSFQDKYQLWIL-WOPDTQHZSA-N 306.370 -0.366 30 20 DBED CC(C)[C@@H](O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1109232107 BLWDCDVTIDUCSE-OWTLIXCDSA-N 308.382 -0.635 30 20 DBED N#Cc1cncc(NC2(CNC(=O)c3c[nH]c(=O)cn3)CC2)n1 1110321531 WRCGDOWLNNZPQI-UHFFFAOYSA-N 311.305 -0.194 30 20 DBED CCO[C@H](C)C(=O)NC[C@]1(O)CCN(c2cnc(C#N)cn2)C1 1111029569 MGCHHQXZMWKDNR-IAQYHMDHSA-N 319.365 -0.169 30 20 DBED CC(=O)NCC(=O)N1C[C@@H]2CN(c3ccc(C#N)nn3)C[C@@H]2C1 1111286764 WLXZJIOMPVRFDY-TXEJJXNPSA-N 314.349 -0.621 30 20 DBED C[C@@H]1OCC[C@H]1C(=O)N(CCO)CCN=c1cc[nH]c(C#N)n1 1111497704 NXUGNWHUUQFRGZ-NWDGAFQWSA-N 319.365 -0.572 30 20 DBED N#Cc1nc(=NCC[C@@H]2CCN(C(=O)CNC(N)=O)C2)cc[nH]1 1111593761 MODOXDMPIFBLHW-SNVBAGLBSA-N 317.353 -0.911 30 20 DBED COC[C@H](C)C(=O)NC[C@H]1COCCN1c1ccc(C#N)nn1 1111665860 QKZNQICIOWLFTG-AAEUAGOBSA-N 319.365 -0.048 30 20 DBED Cc1cc(=N[C@@H](C)[C@@H](C)NC(=O)Cn2cnnn2)c(C#N)c[nH]1 1112905103 HXWGUVBIXUKEEO-WDEREUQCSA-N 314.353 -0.325 30 20 DBED CC(=O)N(C)CC(=O)N[C@H](C)[C@H](C)N=c1cc[nH]c(C#N)n1 1112962535 IMMPPYBOFRJFEL-VHSXEESVSA-N 304.354 -0.446 30 20 DBED C=C(C)CCN1CCN(C(=O)[C@H](CCC(N)=O)NC(C)=O)CC1 1113435545 NCYZXJHMIWSGHL-AWEZNQCLSA-N 324.425 -0.133 30 20 DBED N#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)Cc3ccsc3)[C@H]2C1 1113800776 HTTCAKSWTDFFNL-JYAVWHMHSA-N 318.402 -0.023 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)c3cc[n+]([O-])cc3)[C@@H]2C1 1113805187 ADUXIVOKWFQXCY-CHWSQXEVSA-N 316.361 -0.718 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)CN3CCC[C@H]3C)[C@H]2C1 1114831630 DPBBJERHQNAZKU-WVZRYYJFSA-N 318.421 -0.734 30 20 DBED C#CCNC(=O)[C@@H](C)OC(=O)c1cn(Cc2noc(C)n2)nn1 1116827665 JFAJEHUXULBWQP-MRVPVSSYSA-N 318.293 -0.687 30 20 DBED CCOC(CCNS(=O)(=O)N1CCO[C@@H](C#N)C1)OCC 1116915800 NCLCQFHXHLJCNX-NSHDSACASA-N 321.399 -0.166 30 20 DBED C[C@@H](CO)N(C[C@@H](C)O)C(=O)C(=O)Nc1ccc(C#N)cn1 1117751896 VNNJDXCXWWITNJ-VHSXEESVSA-N 306.322 -0.518 30 20 DBED C=CCOCCNC(=O)C(=O)NCc1ccc(C(N)=O)cc1 1118564148 ZBOAKPZLGMGRPX-UHFFFAOYSA-N 305.334 -0.280 30 20 DBED C=CCN1CC[C@@H](N(C)Cc2cn(Cc3ncon3)nn2)C1=O 1119560751 WOPWLGMCISWYBB-GFCCVEGCSA-N 317.353 -0.072 30 20 DBED N#Cc1cnc(N[C@H](CO)CNC(=O)[C@@H]2CCCOC2)cn1 1121197107 GGNYSXGYHMFODF-PWSUYJOCSA-N 305.338 -0.336 30 20 DBED CCC(=O)NCC(=O)NC[C@H](CO)Nc1nc(C)ccc1C#N 1121239402 BFUZUNNYDLGKPT-GFCCVEGCSA-N 319.365 -0.323 30 20 DBED N#Cc1nc(=N[C@H](CO)CNC(=O)C[C@@H]2CCCCO2)cc[nH]1 1121289242 XNPRMKUUYNOYLZ-RYUDHWBXSA-N 319.365 -0.382 30 20 DBED CO[C@@H](C(=O)NC[C@H](CO)Nc1cncc(C#N)n1)C1CC1 1121506591 VJRZCQMJDSQFAM-DGCLKSJQSA-N 305.338 -0.338 30 20 DBED N#Cc1nc(=N[C@@H](CO)CNC(=O)c2ccc(O)nc2)cc[nH]1 1121550078 LGHKKGMDOYHPNE-SNVBAGLBSA-N 314.305 -0.926 30 20 DBED C=CCn1c([C@H](O)COC)nnc1N1CCNC(=O)[C@@H]1CC 1121633483 OHQQUYPBSSBCDT-WDEREUQCSA-N 309.370 -0.141 30 20 DBED C[C@H]1C[C@H](Nc2cnc(C#N)cn2)CN1C(=O)CNC(N)=O 1123147077 PFQNSOCILAIOBJ-IUCAKERBSA-N 303.326 -0.582 30 20 DBED CCC(=O)NCC(=O)N1C[C@H](N=c2cc[nH]c(C#N)n2)C[C@H]1C 1123172661 YJKOAQNCONXNDX-GHMZBOCLSA-N 316.365 -0.302 30 20 DBED CCCOCC(=O)N(C)C[C@H](O)CN=c1cc[nH]c(C#N)n1 1124142235 ZBORRCKMFZZJBC-LLVKDONJSA-N 307.354 -0.572 30 20 DBED CCC(=O)NCC(=O)N(C)C[C@@H](O)CNc1cncc(C#N)n1 1124184826 KQAXGZDEUFLZSI-NSHDSACASA-N 320.353 -0.894 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)CC1(O)CCC1 1124283088 DZBRGXGPSSBYRB-LLVKDONJSA-N 319.365 -0.694 30 20 DBED Cc1c[nH]nc1C(=O)N(C)C[C@@H](O)CNc1cnc(C#N)cn1 1124283523 MKTPROYJRNAADP-NSHDSACASA-N 315.337 -0.075 30 20 DBED CN(C[C@H](O)CNc1nccnc1C#N)C(=O)CC(C)(C)O 1124290773 UQSCDAJYENHGDH-SNVBAGLBSA-N 307.354 -0.260 30 20 DBED CCNC(=O)CC(=O)N(C)C[C@H](O)CN=c1cc[nH]cc1C#N 1124314699 JDYYPXFQWFHOEV-GFCCVEGCSA-N 319.365 -0.867 30 20 DBED CN(C[C@H](O)CN(C)c1ccnc(C#N)n1)C(=O)c1ccon1 1124981988 MVZOCIWDUWGKEN-SNVBAGLBSA-N 316.321 -0.094 30 20 DBED COC[C@H](C)C(=O)N(C)C[C@H](O)CN(C)c1cnc(C#N)cn1 1124988341 IYBZVNZUPWMFIR-WCQYABFASA-N 321.381 -0.114 30 20 DBED COC[C@H](C)C(=O)N(C)C[C@@H](O)CN(C)c1ccc(C#N)nn1 1124989440 WMSLEOXVDWLQTF-AAEUAGOBSA-N 321.381 -0.114 30 20 DBED CN(C[C@H](O)CN(C)c1ccc(C#N)cn1)C(=O)CC(N)=O 1125023295 AOSZAHBJXCBFMV-LLVKDONJSA-N 305.338 -0.916 30 20 DBED CC(C)[C@@H](O)C(=O)N(C)C[C@H](O)CN(C)c1cncc(C#N)n1 1125075107 LSTDPWUTBSNZMZ-TZMCWYRMSA-N 321.381 -0.379 30 20 DBED CC#CCN[C@@H]1CN(C(=O)c2cnn(C)c2)C[C@@H]1n1ccnn1 1129556036 FQMFUQUSASSTEA-KGLIPLIRSA-N 313.365 -0.310 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1cc(O)nc(C2CC2)n1 1130026731 AZCMSCVFDOKLTL-UHFFFAOYSA-N 319.365 -0.319 30 20 DBED C=CCN1C[C@H]2C[C@H]3CN(C(=O)CNC(=O)NC)C[C@@]3(C1)O2 1131238121 QWGNFEGXJBXTBP-YWPYICTPSA-N 308.382 -0.597 30 20 DBED CO[C@@H](C)CCC(=O)N1CCC(=O)NCCN(CC#N)CC1 1131351704 YJKSUVZAWCNFBW-ZDUSSCGKSA-N 310.398 -0.024 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)CNC(C)=O)CC[C@@H]1C 1132602326 DHHDTASXDRGHGI-DZGCQCFKSA-N 309.410 -0.154 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@H]1CCCc2nn[nH]c21 1132997718 KVNAAJFMMYLNFN-QWRGUYRKSA-N 318.381 -0.932 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)c1cccn1C)C2 1146992319 GPANVAZXZXSWQQ-UHFFFAOYSA-N 314.389 -0.078 30 20 DBED C=CCOCC(=O)N1CC2(CCN(Cc3nc(=O)n(C)[nH]3)C2)C1 1147260901 JOODQBYPZFCFOQ-UHFFFAOYSA-N 321.381 -0.655 30 20 DBED CC[C@H](C(N)=O)N1CCCO[C@H](CNC(=O)C#CC2CC2)C1 1149701245 QPVLXNOZRQWRPY-ZIAGYGMSSA-N 307.394 -0.129 30 20 DBED COCC#CCN1CCCO[C@@H](CNC(=O)[C@@]23COC[C@@H]2C3)C1 1149733328 ASWSRNOTQVADBQ-ZOBUZTSGSA-N 322.405 -0.120 30 20 DBED C#CCNC(=O)CNCCNC(=O)CCCc1nc(C)no1 1150943448 QKONFYIIWDKQAP-UHFFFAOYSA-N 307.354 -0.844 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)c1cnn(CC)n1 1153164507 NGSKJXSQAZOFDY-LLVKDONJSA-N 321.385 -0.622 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCCNCC(=O)NCCOCC 1157189064 FWYAEQKXEMGHGG-OAHLLOKOSA-N 315.414 -0.438 30 20 DBED CCCNC(=O)NC(=O)CNCCCNC(=O)C#CC(C)C 1157632585 GJPFJPHLSKYMPZ-UHFFFAOYSA-N 310.398 -0.023 30 20 DBED CNC(=O)NCC(=O)N1CCCC[C@@H]1CN(C)CC#CCOC 1158044166 QVNLKZFZICUJMJ-CQSZACIVSA-N 324.425 -0.122 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC(CNC(C)=O)(COC)CC1 1162048339 XBAJNZWRKWNLFY-ZDUSSCGKSA-N 309.410 -0.011 30 20 DBED CC#CCN1CCC(CNC(=O)[C@H]2CNC(=O)N2)(COC)CC1 1162442026 ZMZBWAOXOLEUOQ-CYBMUJFWSA-N 322.409 -0.464 30 20 DBED CC(C)N1C(=O)CC[C@H]1C(=O)NCCCNCC(=O)NCC#N 1164503862 XYXHKNNNJGHCKR-LBPRGKRZSA-N 323.397 -0.879 30 20 DBED C=CCNC(=O)CNCCCNC(=O)Cc1c(C)n[nH]c1C 1175882871 XJKKAFBFZGBAHS-UHFFFAOYSA-N 307.398 -0.033 30 20 DBED C#CCNCCCC[C@H](C)NC(=O)CN1C(=O)CN(C)C1=O 1176487703 VDDMBVGWJVOVSO-LBPRGKRZSA-N 308.382 -0.222 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)C[C@@H]2CCOC2)[C@H]1C 1178400699 BTSRXQJJNYJNRM-IHRRRGAJSA-N 307.394 -0.259 30 20 DBED N#CCNC(=O)CN[C@@H]1CCN(C(=O)c2ccc(F)cn2)C1 1182121967 TWNHFKILSLKPLM-LLVKDONJSA-N 305.313 -0.335 30 20 DBED C=CCOCCNC[C@H]1CCN(C(=O)Cn2ncnn2)C[C@H]1C 1184399893 PGZRHMMDJOYBAQ-ZIAGYGMSSA-N 322.413 -0.050 30 20 DBED C[C@@H]1CN(C(=O)COCc2ncnn2C)CC[C@@H]1CNCC#N 1185422335 DCAWDXUIYHRRAP-CHWSQXEVSA-N 320.397 -0.071 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CN(Cc3cnn(C)n3)C[C@H]21 1187881842 FHSYOMQBCIUZBH-KCQAQPDRSA-N 317.393 -0.114 30 20 DBED CN(CC(=O)NCC#N)[C@H]1CCN(C(=O)c2cscn2)C1 1189310991 SHEOSLRRBHWYEU-JTQLQIEISA-N 307.379 -0.071 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2cnnc(C)c2)C1 1189817353 FFAIMMUXBCTVLL-AWEZNQCLSA-N 315.377 -0.319 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)C2(COC)CC2)C1 1191332236 XBJJSCLIGDXZAZ-CYBMUJFWSA-N 307.394 -0.305 30 20 DBED Cc1nccnc1CN1C[C@@H](O)[C@H](NC(=O)C#CC2CC2)C1 1192827452 SNMYNNITCYMNJY-HUUCEWRRSA-N 300.362 -0.140 30 20 DBED COC[C@H](C)CC(=O)N1CC[C@@H](N(C)CC(=O)NCC#N)C1 1193157970 YPEXSLXPGXKHIE-CHWSQXEVSA-N 310.398 -0.169 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)S(C)(=O)=O)C1 1194167895 DQIDBGJCJKUJGE-IJLUTSLNSA-N 304.412 -0.453 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)[C@H](CCC)S(N)(=O)=O)C1 1194976073 QQJVCJHRCRZOLA-UTUOFQBUSA-N 319.427 -0.819 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)C[C@@H]2CCNC2=O)CC1 1201028091 FVCCOHWGXRDVMN-LBPRGKRZSA-N 322.409 -0.605 30 20 DBED C=CCNC[C@@H]1CN(C(=O)CS(=O)(=O)N(C)C)CCCO1 1201965946 SYRPMHCWCGAYCO-GFCCVEGCSA-N 319.427 -0.729 30 20 DBED C=CCNC[C@@H]1CN(C(=O)c2cn(C)c(=O)nc2O)CCCO1 1202059501 QHVMWHOOOQCUQW-LLVKDONJSA-N 322.365 -0.507 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)[C@@H]2CCOC[C@@H]2C)CC1 1202379389 GXYJFNYEYKILMO-DZGCQCFKSA-N 321.421 -0.011 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)CSCC#N)CC1 1204560694 NQAKAWBVRTWUMK-UHFFFAOYSA-N 322.434 -0.179 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)c1ccncc1F 1206721556 RBWDDJWDABZMAP-ZWNOBZJWSA-N 319.340 -0.089 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(CCN2CCNC2=O)C[C@H]1C 1206960123 UBLHGRACWWVOLL-ZIAGYGMSSA-N 322.409 -0.512 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)c2[nH]nnc2C)[C@H](C)C1 1208275595 OISVURMMARGAPB-ADEWGFFLSA-N 318.381 -0.699 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 1208341258 XMYFBUZEHROWHA-CQSZACIVSA-N 320.437 -0.199 30 20 DBED C=CCOCC(=O)N[C@@H]1CN([C@@H](C)c2nncn2C)C[C@H]1OC 1212032061 HUTAZHLHOMXPBC-YNEHKIRRSA-N 323.397 -0.106 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN([C@H]2CCNC2=O)C[C@H]1OC 1213959699 XLEWNVVFZULUDT-FRRDWIJNSA-N 311.382 -0.717 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2C)C[C@H]1C 1215385359 OVJRZLCWHHWDNA-JHJVBQTASA-N 322.409 -0.654 30 20 DBED COCC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cc(C)[nH]n1 1217394429 YXBFDJAHRUDYFY-LSDHHAIUSA-N 318.377 -0.107 30 20 DBED C=CCOCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1nc[nH]n1 1218796665 BKJACYFOIFYJED-NWDGAFQWSA-N 307.354 -0.468 30 20 DBED C=CCC[C@H](C)N1C[C@H](O)[C@H](NC(=O)CN2CCCNC2=O)C1 1219939822 OWAQREJZWFURFN-MJBXVCDLSA-N 324.425 -0.082 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H](C)CC(F)F)C1 1220029989 SEZOGKNTYOXPNM-AXFHLTTASA-N 317.336 -0.812 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@@H]2CN(C(=O)c3cn[nH]c3)[C@@H]2C1 1221302822 QOPHVNWCGHKZAD-YRGRVCCFSA-N 315.377 -0.306 30 20 DBED COCC#CCN1CC[C@@H]2CN(C(=O)CCc3nc[nH]n3)[C@@H]2C1 1221471026 JMDCYEVHGFRGSP-ZIAGYGMSSA-N 317.393 -0.080 30 20 DBED C=CCN1CC[C@@H]2CN(C(=O)[C@@H](CCC(N)=O)NC(C)=O)[C@@H]2C1 1221873100 PKAGKEKUDYDICF-MGPQQGTHSA-N 322.409 -0.525 30 20 DBED C[C@H]1CO[C@@H](C(=O)NCC2CCN(CC(=O)NCC#N)CC2)C1 1223855289 VIRYYXQMABDFJE-TZMCWYRMSA-N 322.409 -0.121 30 20 DBED COCC#CCN1CCC(CNC(=O)[C@@H]2CNC(=O)N2)CC1 1224261722 YRZUFQANROABSC-ZDUSSCGKSA-N 308.382 -0.854 30 20 DBED C#CCOCCC(=O)NC1CCN(CC(=O)NCC=C)CC1 1227332337 MNKIBEVIZHKEDD-UHFFFAOYSA-N 307.394 -0.091 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)c1cccnc1 1230583688 IRPGCLYEMNYQFI-AWEZNQCLSA-N 300.362 -0.023 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)CCCNC(=O)c1ccc(O)nn1 1233613198 MUQRCBFPUOYXPX-LLVKDONJSA-N 319.365 -0.628 30 20 DBED C#CCNC(=O)CC(=O)N(C)C[C@@H]1CCN1Cc1cnon1 1233809280 HVPMNZXHNWJOAD-LBPRGKRZSA-N 305.338 -0.758 30 20 DBED C#CCCN1CCN(CC(=O)N2CCC3(CC2)OCCO3)CC1 1320325645 HLYUQONAPUNEDU-UHFFFAOYSA-N 321.421 -0.007 30 20 DBED C#C[C@@H](NC(=O)N1CCC(OCC(N)=O)CC1)[C@H]1CCCO1 1321361185 VCDOWDYSWJFJLP-CHWSQXEVSA-N 309.366 -0.157 30 20 DBED CN(C)C(=O)COc1ccccc1C(=O)NCC(=O)NCC#N 1322596423 YZWAKVCYVCTVDT-UHFFFAOYSA-N 318.333 -0.477 30 20 DBED N#CCn1cc(NC(=O)C(=O)N2CCCC3(C2)OCCO3)cn1 1323420533 ALNJLQUCFQCALR-UHFFFAOYSA-N 319.321 -0.289 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)c2cn(C)c(=O)nc2O)C1=O 1327008167 GVJQEQGZXMFZSS-JTQLQIEISA-N 306.322 -0.655 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N(C)Cc1cn(C)nn1 1328412708 LOTXNSCJRYQXME-UHFFFAOYSA-N 301.372 -0.443 30 20 DBED N#Cc1ncn(CCNC(=O)C(=O)Nc2ccc(Cl)nc2)n1 1329184568 XZARRJLHZVILPK-UHFFFAOYSA-N 319.712 -0.047 30 20 DBED Cc1ccnn1CC(=O)NCCN/C(O)=C1/N=CC=CC1=O 1329826573 QFNNGMOQJAESPI-YPKPFQOOSA-N 303.322 -0.166 30 20 DBED CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)CCCC#N 1330103918 KNEGWFYJKHRQJM-NSHDSACASA-N 315.395 -0.168 30 20 DBED CNC(=O)[C@H]1CCC[C@@H]1NC(=O)C(=O)Nc1ccc(C#N)cn1 1347665959 GEKGFTPRHOWKSD-QWRGUYRKSA-N 315.333 -0.077 30 20 DBED C[C@H]1CN(c2nccnc2C#N)CCN1c1cc(C(N)=O)ncn1 1364166295 CUZWLVYEVXGXTM-JTQLQIEISA-N 324.348 -0.048 30 20 DBED COCCN(CCC#N)S(=O)(=O)c1cn(C)c(=O)nc1O 1365035801 NCQCRPSVTCCQED-UHFFFAOYSA-N 316.339 -0.963 30 20 DBED C[C@H](Cc1cnn(C)c1)NS(=O)(=O)N1CCO[C@@H](C#N)C1 1365402677 NAWQNUTVIVIJBP-PWSUYJOCSA-N 313.383 -0.590 30 20 DBED C[C@@H](CN(C)C(=O)c1cc(=O)n(C)cn1)NC(=O)[C@H](C)C#N 1370539382 UIDSFOURACVDIN-ZJUUUORDSA-N 305.338 -0.483 30 20 DBED C[C@@H](C#N)C(=O)N(C)CC(C)(C)CNC(=O)CCNC(N)=O 1382869146 GEHYWOQCJCCPBH-JTQLQIEISA-N 311.386 -0.195 30 20 DBED CC(=O)NCC(=O)NCC[C@@H](C)NC(=O)c1ccc(C#N)[nH]1 1397747569 YUDYQJBOESCXIE-SECBINFHSA-N 305.338 -0.353 30 20 DBED C[C@H](CNC(=O)CN1CCOCC1)NC(=O)c1cc(C#N)c[nH]1 1399925627 LXTZJQVMSWVNIY-LLVKDONJSA-N 319.365 -0.547 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CCN(c2nc[nH]n2)CC1 1414331749 POEKVMYZUAZGFN-UHFFFAOYSA-N 313.387 -0.593 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(CCN(C)C(=O)[C@@H]2CCOC2)CC1 1415921800 HZTYAFFCTOIXSO-UONOGXRCSA-N 322.409 -0.215 30 20 DBED COCCn1cc(C(=O)NCC2(NC(=O)[C@@H](C)C#N)CC2)nn1 1417141133 OJZSEIFAGSJTCG-JTQLQIEISA-N 320.353 -0.537 30 20 DBED C[C@@H](CNCc1nnc2n1CCOC2)CNC(=O)[C@H](C)C#N 1421673831 IHODHPWOVKOZPO-WDEREUQCSA-N 306.370 -0.190 30 20 DBED CCN1CC[C@@H](N(CCNC(=O)[C@@H](C)C#N)CCOC)C1=O 1442174145 PMXQGSYERFRDHV-QWHCGFSZSA-N 310.398 -0.169 30 20 DBED C[C@H](CNCc1nnnn1C)N(C)C(=O)c1cc(C#N)c[nH]1 1444610455 QPIIOKYIDLNREQ-SECBINFHSA-N 302.342 -0.340 30 20 DBED CC[C@H](NC(C)=O)C(=O)NCCN(C)C(=O)c1cc(C#N)c[nH]1 1455493321 HJENNOGQRQNPFC-LBPRGKRZSA-N 319.365 -0.011 30 20 DBED C[C@](O)(CNC(=O)CCn1cc(C#N)c(O)nc1=O)C1CC1 1465427963 HEOCFLXEAUKCLN-AWEZNQCLSA-N 306.322 -0.512 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)[C@H](C)NC(=O)c2ccco2)C1 1498211525 MBQKACWFQOGVOW-UWVGGRQHSA-N 318.333 -0.115 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)COCc1cccnc1 1501591503 KJOMXXYHFBEKKS-YPMHNXCESA-N 320.349 -0.649 30 20 DBED CCC(=O)NCC(=O)NC[C@@H](C)N(C)C(=O)c1ccc(C#N)[nH]1 1508784546 RGPFGGVOBZIORS-SNVBAGLBSA-N 319.365 -0.011 30 20 DBED CCOC1CC(C(=O)N2CC[C@H](NCC(=O)NCC#N)C2)C1 1566764876 LRJRDBDXHFBEGN-CPCZMJQVSA-N 308.382 -0.368 30 20 DBED C#CCNC(=O)CN[C@@H](C)CCNC(=O)c1c(C)ncn1C 1567219001 RIXDUUQIXWWTIN-NSHDSACASA-N 305.382 -0.424 30 20 DBED C=CCn1cc(C(=O)NC2CC(CNCc3cnn[nH]3)C2)nn1 1575112212 QXPFYIDXBKIHDY-UHFFFAOYSA-N 316.369 -0.120 30 20 DBED C#C[C@H]1CCCCN1C(=O)C(=O)N1CCC([C@H](O)C(=O)O)CC1 1588382354 NCYBDWCXULPYAV-STQMWFEESA-N 322.361 -0.315 30 20 DBED C[C@@H]1CC(=NC(=O)C2(C(=O)O)CCS(=O)(=O)CC2)NO1 1589294292 VUQBYRHVXIYORL-SSDOTTSWSA-N 304.324 -0.496 30 20 DBED C[C@@H](/C=C\C(=O)O)NC(=O)CCn1cc(C#N)c(O)nc1=O 1592194226 UNVPSHOJVXFGJJ-KZUAUGPASA-N 306.278 -0.644 30 20 DBED N#Cc1nc(NC(=O)CN2CCSC2=O)[nH]c1-c1nn[nH]n1 1592682975 IZEARTMDSIUMCP-UHFFFAOYSA-N 319.310 -0.431 30 20 DBED N#Cc1ncc(N2CC3(CCNC(=O)O3)C2)nc1-c1nn[nH]n1 1592708346 KQCOAZFQDQMGJF-UHFFFAOYSA-N 313.281 -0.783 30 20 DBED COCC#CCN1C[C@H]2CN(C(=O)[C@@H]3C[C@@H]3C(=O)O)C[C@H]2C1 1599139312 UMQJDGZSNRYHLB-RQJABVFESA-N 306.362 -0.253 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N1CC[C@](C)(C(=O)O)C1 1602683989 WWEMJRSXKDQTAF-NHYWBVRUSA-N 310.350 -0.146 30 20 DBED C=CCOC[C@H](NC(=O)[C@@H]1CCc2nnnn2CC1)C(=O)O 1602910364 XDQQWSJLMOPCPN-ZJUUUORDSA-N 309.326 -0.602 30 20 DBED CN(C)CCN1CCN(c2ccc(C(=O)O)nc2C#N)CC1=O 1606027378 MUYDRLOBGIVQPX-UHFFFAOYSA-N 317.349 -0.138 30 20 DBED N#Cc1nc(N2CC[C@@H](Cn3ccnn3)C2)cnc1-c1nn[nH]n1 1606389037 IXEMLRSCKAKIRU-SECBINFHSA-N 323.324 -0.354 30 20 DBED Cc1onc(CC(=O)N2CCN(C)C[C@@H](C(=O)O)C2)c1C#N 1610589013 WQZBUBMCQYTINF-SNVBAGLBSA-N 306.322 -0.128 30 20 DBED Cc1nc(C(=O)NC2CCN(CC(N)=O)CC2)ccc1C#N 1646269595 BXCYHBCNBNBKFQ-UHFFFAOYSA-N 301.350 -0.059 30 20 DBED COC[C@@H](O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C 1646665780 XKRZNIOKNBUOIC-VXGBXAGGSA-N 306.370 -0.329 30 20 DBED C#CCNC(=O)CN1CCC[C@@H](CNC(=O)C[C@H]2CCOC2)C1 1661708195 SJZUMKPVYMJPFP-CABCVRRESA-N 321.421 -0.009 30 20 DBED C#CCNC(=O)[C@@H](C)N(CC)CCCNC(=O)[C@@H]1COC(=O)N1 1752180114 AYAREYQYZSEOHG-NEPJUHHUSA-N 324.381 -0.939 30 20 DBED CC(C)S(=O)(=O)CC(=O)NCCN1CCN(CC#N)CC1 1752375699 VJUBXDQXEJBHOW-UHFFFAOYSA-N 316.427 -0.933 30 20 DBED C#CCNCCNC(=O)[C@@H]1CCCN(C(=O)C#CC2CC2)C1 1752926753 YDHLLHCTGXQJOU-OAHLLOKOSA-N 301.390 -0.023 30 20 DBED C#CCNC(=O)CN1CC[C@@H](N(C)C(=O)CC2OCCCO2)C1 1753435788 YGUHGPNGRAVBJE-CYBMUJFWSA-N 323.393 -0.578 30 20 DBED C=CCOCC(=O)N(CC)[C@@H]1CCN(Cc2nc(=O)n(C)[nH]2)C1 1753453258 NYHDLXFHWRRTJH-GFCCVEGCSA-N 323.397 -0.266 30 20 DBED C#CCNC(=O)CNC[C@@H](C)N(C)C(=O)c1cc(C#N)c[nH]1 1753686774 GHDXRBYPFVZANC-LLVKDONJSA-N 301.350 -0.314 30 20 DBED C#CCNC[C@H]1[C@@H](C)CCCN1C(=O)CN(C)C(=O)COC 1753815566 AHJFMAQKONPFDU-KBPBESRZSA-N 309.410 -0.059 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@H](C)NC(=O)c1ccc(C(N)=O)o1 1754275389 XFGMJBYSIWSULY-VHSXEESVSA-N 320.349 -0.776 30 20 DBED N#CCNC(=O)CN1[C@H]2CC[C@H]1CN(C(=O)C(F)F)CC2 1754656607 RUQZYOIHZWESPM-UWVGGRQHSA-N 300.309 -0.043 30 20 DBED COCC#CCN1CC[C@](C)(NC(=O)c2cc(=O)n(C)cn2)C1 1754675475 QFUKBFJSBAKMIJ-INIZCTEOSA-N 318.377 -0.376 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(CC[C@H]2CCOC2)C1 1754767019 JGTSUGHWIYSZJU-KGLIPLIRSA-N 310.394 -0.386 30 20 DBED C=C[C@](C)(CCOC)C(=O)NCC1(O)CN(Cc2cnon2)C1 1754770891 DFNAMIPCOGGCAB-CQSZACIVSA-N 324.381 -0.039 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)[C@H](OC)c1cnn(C)c1 1754969742 GIDBRUFJFHEPEG-ZIAGYGMSSA-N 306.366 -0.442 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@H]1CCC2(CN(CC(N)=O)C2)O1 1755054474 OLDOOGKXRGMZLS-FZMZJTMJSA-N 311.382 -0.852 30 20 DBED C=CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)COC)C[C@@H]1C 1755105225 DGNVSVFQSDIADP-WDEREUQCSA-N 312.370 -0.919 30 20 DBED CC(C)(C)C#CC(=O)N1CCN(C2CN(CC(N)=O)C2)CC1 1755145724 YOTNHJLFYVTXLQ-UHFFFAOYSA-N 306.410 -0.650 30 20 DBED C#CCNC(=O)CN(C)[C@H](C)CNC(=O)[C@@H]1CCO[C@H]1C=C 1755316655 QEDUJTIASDOVEJ-MCIONIFRSA-N 307.394 -0.237 30 20 DBED C#CCN[C@H](C)[C@@H]1CN(C(=O)C(C)(C)N2CCOCC2)CCO1 1755462638 XVIPAUXPBUTDHC-CABCVRRESA-N 323.437 -0.064 30 20 DBED COCC#CCN(C)CCOCCNC(=O)c1cnnn1C 1755544531 KXAJBOYQGULKOM-UHFFFAOYSA-N 309.370 -0.857 30 20 DBED CN(C[C@H](O)CNCC(=O)NCC#N)C(=O)C(C)(C)C1CCC1 1755784165 IDRGRFUPJUXRBR-CYBMUJFWSA-N 324.425 -0.139 30 20 DBED C=CC(C)(C)CC(=O)NC[C@@H](CO)NC(=O)[C@H]1CCC(=O)N1 1756524516 XZVMWSDVIQEDQG-WDEREUQCSA-N 311.382 -0.539 30 20 DBED COc1cc(C(=O)NC[C@H](CO)NC(=O)C#CC2CC2)ccn1 1756532764 MKTAUEPIBNMVMO-CYBMUJFWSA-N 317.345 -0.290 30 20 DBED C=C[C@](C)(O)CC(=O)N(C)C[C@@H](O)CNC(=O)c1ccc[nH]1 1756660664 KPFUMRLOTPEKSS-NHYWBVRUSA-N 309.366 -0.109 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1=CCN(C(=O)CNC(C)=O)CC1 1756770116 YKQDRJBOUJCBTA-LBPRGKRZSA-N 321.377 -0.564 30 20 DBED C=CCCC(=O)N[C@@H]1CN(C(=O)[C@H]2CCN(C)C2=O)C[C@H]1OC 1757120843 ODAPLAGFWRHLAU-YNEHKIRRSA-N 323.393 -0.227 30 20 DBED COC(=O)NCC(=O)N1CC2(CCCN2C(=O)C#CC2CC2)C1 1841542932 PCZBXKAFVPOJSO-UHFFFAOYSA-N 319.361 -0.041 30 20 DBED C#CC(=O)N1CCCC12CN(C(=O)c1cc(C(=O)O)ncn1)C2 1845958416 FAWLQERSAPRFGS-UHFFFAOYSA-N 314.301 -0.375 30 20 DBED COC(=O)N1CCC(Nc2c(C#N)c(=O)n(C)c(=O)n2C)CC1 66387608 SBZPCRHPEQLICN-UHFFFAOYSA-N 321.337 -0.402 30 20 DBED CN(CCS(C)(=O)=O)CC(=O)N(CCC#N)CCC#N 102771191 OQWILLNPEHRMSE-UHFFFAOYSA-N 300.384 -0.381 30 20 DBED O=C(C#Cc1ccc2c(c1)OCO2)N1CCN(CCO)CC1 137441176 QULSHBNHVQWAGR-UHFFFAOYSA-N 302.330 -0.097 30 20 DBED CC[C@H](CC#N)OC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 187996511 UUCUAUHFMSCRLN-SECBINFHSA-N 319.321 -0.331 30 20 DBED C=CCNC(=O)c1ccccc1NC(=O)CN1CCNCC1=O 236667001 IOIIPNXXNQETOS-UHFFFAOYSA-N 316.361 -0.027 30 20 DBED CO/N=C(/C(=O)N1CC[C@]2(C1)NC(=O)N(C)C2=O)c1ccco1 266846233 PYBHQJFUJVFERH-DWKHYPNZSA-N 320.305 -0.217 30 20 DBED N#Cc1sc(N2CCN3C(=O)C(=O)NC[C@H]3C2)nc1Cl 278742363 RFRPECWANMSAGW-LURJTMIESA-N 311.754 -0.185 30 20 DBED C=C[C@@H](CO)NC(=O)C(=O)Nc1ccc(C(=O)N(C)OC)cc1 290094878 PXTDRISJROCHHA-NSHDSACASA-N 321.333 -0.078 30 20 DBED C=CCN(CC=C)[C@@H](CNC(=O)[C@@H](CO)NC(N)=O)C(C)C 295015144 YFBMZEYVFJQUFB-OLZOCXBDSA-N 312.414 -0.170 30 20 DBED Cc1ncc(S(=O)(=O)NC[C@@H]2CN(C)CCN2C)cc1C#N 320422425 UGTDFDNQVYDZSD-CYBMUJFWSA-N 323.422 -0.214 30 20 DBED CCN1CN(/C(O)=N/C[C@@H]2CCN(S(C)(=O)=O)C2)CC1=O 330164707 UCODIYLZFYZKJD-JTQLQIEISA-N 318.399 -0.697 30 20 DBED C[C@@H](CN1CCOCC1)N(C)S(=O)(=O)N(C)CCC#N 331197153 NWOKTCOZCSJEHA-LBPRGKRZSA-N 304.416 -0.271 30 20 DBED CCN1CCN(C(=O)C(=O)Nc2ccc(C#N)cn2)[C@H](C)C1=O 340327562 UIXSCLXZRUWBJB-SNVBAGLBSA-N 315.333 -0.029 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@H](COCC)C2)C1=O 357548425 WCQFEBCUXNLDGT-LLVKDONJSA-N 323.349 -0.152 30 20 DBED CN(C)CCN(C[C@H]1CCCO1)C(=O)Cn1cnc(C#N)n1 426441793 GZWRKEJTPNMITA-GFCCVEGCSA-N 306.370 -0.281 30 20 DBED COC(=O)C[C@H](C)N1CCN(C(=O)Cn2cnc(C#N)n2)CC1 426871660 OGJJKULNXRLHBY-NSHDSACASA-N 320.353 -0.754 30 20 DBED CC1(C)C(=O)N(CC(=O)NC2(C#N)CCC2)C(=O)N1CC(N)=O 438901308 ARZWBOJFLYIREC-UHFFFAOYSA-N 321.337 -0.923 30 20 DBED C=CCN(C)C(=O)C(=O)N1CCN([C@H](C)C(=O)NC2CC2)CC1 459890077 FTCPXZUUBBOBRS-GFCCVEGCSA-N 322.409 -0.558 30 20 DBED C#CCN1CCN(C(=O)CSc2ncc(CO)n2C)CC1 490760623 OFWRCUUINLWIGH-UHFFFAOYSA-N 308.407 -0.218 30 20 DBED C#CCN(CC#CC)C(=O)CNS(=O)(=O)CCOCC 490829652 DBUTZZNTNTZPIR-UHFFFAOYSA-N 300.380 -0.573 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)Cc2cccnc2)CC1 491071886 OEYCEKBOCMUOSO-UHFFFAOYSA-N 300.362 -0.482 30 20 DBED C#CCN(CC#CC)C(=O)NCCNS(=O)(=O)NC(C)C 491241144 HDCPDLNZOISXNM-UHFFFAOYSA-N 314.411 -0.513 30 20 DBED CNC(=O)[C@H]1CN(C[C@H](O)COc2ccccc2C#N)CCO1 528443135 ORSPPEDNAMGXCE-DZGCQCFKSA-N 319.361 -0.255 30 20 DBED C[C@@]1(CO)CCCN1C(=O)C(=O)NC1CCN(CC#N)CC1 588126970 XFWGWOLTDSGJDG-HNNXBMFYSA-N 308.382 -0.536 30 20 DBED N#CC[C@]1(O)CCN(C(=O)Cn2nc3n(c2=O)CCCC3)C1 593749071 PDPGYFIFUGJAPX-AWEZNQCLSA-N 305.338 -0.742 30 20 DBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H]1CCNC1=O 597373275 CINCCJUBXPLKPW-MNOVXSKESA-N 314.349 -0.479 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@](F)(C#N)C2)C1=O 615596703 YJRSDOPSJYYIEM-CYBMUJFWSA-N 308.269 -0.573 30 20 DBED C=CCN1CCC(NC(=O)N(CCO)CCOCCO)CC1 636740948 SQEILYXFHSBZFA-UHFFFAOYSA-N 315.414 -0.350 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)Cn2nc(C)n(C)c2=O)C1=O 653784393 PSWDIFMPBNKWLZ-LLVKDONJSA-N 307.354 -0.864 30 20 DBED N#C[C@@H]1COCCN1C(=O)COc1ccccc1-c1nn[nH]n1 737684898 QSHRDGBNHZNFNR-SNVBAGLBSA-N 314.305 -0.004 30 20 DBED CCN(CCO)CCNC(=O)NCCNc1ccc(C#N)cn1 769491144 YTQIULYECUAYHH-UHFFFAOYSA-N 320.397 -0.021 30 20 DBED C#C[C@@H](NC(=O)c1cn(CC(=O)N(C)C)nn1)[C@@H]1CCCO1 772886616 RDDYYBJJWBZELP-PWSUYJOCSA-N 305.338 -0.723 30 20 DBED C#C[C@@H](NC(=O)NCCS(=O)(=O)NCC)[C@H]1CCCO1 773288286 XSLHBSSUJRKYDL-GHMZBOCLSA-N 303.384 -0.594 30 20 DBED CC(C)C[C@@H](NC(=O)C(=O)Nc1cnn(CC#N)c1)C(=O)O 819980568 YPIJXCDDXRXLAT-SNVBAGLBSA-N 307.310 -0.039 30 20 DBED N#CCN1CCN(S(=O)(=O)N=S2(=O)CCCC2)CC1 820790252 CSROFHOTWXHJHE-UHFFFAOYSA-N 306.413 -0.366 30 20 DBED C=CCOC[C@H](NC(=O)/C=C1/SCC(=O)N1C)C(=O)OC 822622224 CGODTSHYVQQIJH-DAVUEJTQSA-N 314.363 -0.107 30 20 DBED C#CCN1CCN(C(=O)[C@@H](CC(N)=O)NC(=O)CC(C)C)CC1 825286059 HVQVOLXQWGRERE-CYBMUJFWSA-N 322.409 -0.830 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N[C@H]1CCN(C(C)C)C1=O 828224821 LKALTPQRQBXXLP-ZDUSSCGKSA-N 323.393 -0.390 30 20 DBED N#CCN1CCC(CNC(=O)Cn2cc(C(=O)O)nn2)CC1 833066915 LEABKMIZOCKNLA-UHFFFAOYSA-N 306.326 -0.672 30 20 DBED CC(C)CN1C[C@H](C(=O)NS(=O)(=O)CCC#N)CC1=O 835411409 MBWYXHVMLGAYQP-SNVBAGLBSA-N 301.368 -0.149 30 20 DBED C#CCOc1ccc(NC(=O)C(=O)N[C@H]2COC[C@H]2O)cc1 873977711 QZJCROAPWZTMJQ-QWHCGFSZSA-N 304.302 -0.487 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N(C)C[C@@H](O)C(F)(F)F 875596941 WVUGBCFKDYDUJY-NXEZZACHSA-N 324.299 -0.087 30 20 DBED C#CC1(O)CN(C(=O)C[C@@H]2CS(=O)(=O)c3ccccc3O2)C1 890526755 WWENLXGORLVSKX-LLVKDONJSA-N 321.354 -0.182 30 20 DBED C#CC1(O)CN(S(=O)(=O)c2cccc(F)c2C(=O)OC)C1 908232468 QUQCIYDYSXBIJJ-UHFFFAOYSA-N 313.306 -0.019 30 20 DBED CN(C)CC#CCNC(=O)[C@H](CO)NC(=O)c1ccc(F)cc1 913523979 UODVHWASFKSGRF-AWEZNQCLSA-N 321.352 -0.402 30 20 DBED CN1CCN(C(=O)CNS(=O)(=O)CC(C)(C)C#N)CC1 920536034 YXBPPAQMZSHXNU-UHFFFAOYSA-N 302.400 -0.770 30 20 DBED Cn1ncc(C(=O)N2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)n1 937796408 VENKNIUNEOVEQT-JTQLQIEISA-N 313.321 -0.341 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)c2nc3ncccn3n2)C1 938503823 CRRRDNKUAQPWCU-UWVGGRQHSA-N 313.321 -0.385 30 20 DBED C[C@@]1(C(=O)N[C@@H]2CCN(C(=O)C#CC3CC3)C2)CNC(=O)C1 941625297 WFRDDNVYBIHWOO-WBMJQRKESA-N 303.362 -0.357 30 20 DBED C=CCCN1CC[C@H](NC(=O)CN2CCNC(=O)C2)[C@@H](C)C1 942560354 OMPYHDYWVDLFIA-KBPBESRZSA-N 308.426 -0.179 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CNC(=O)[C@H]2CN(C)C(=O)N2)CC1 949394445 RTHGMBGEBCZIEB-CMPLNLGQSA-N 321.381 -0.476 30 20 DBED C#Cc1ccc(C(=O)N2CC(N(C)C(=O)c3ncn(C)n3)C2)cn1 954208162 ZDBRLMPSQKWFHJ-UHFFFAOYSA-N 324.344 -0.212 30 20 DBED C#CCOc1ccc(C(=O)N(C)C2CN(C(=O)C(N)=O)C2)cc1 954308988 NAUQVMWMCGIHOD-UHFFFAOYSA-N 315.329 -0.533 30 20 DBED C[C@H](C#N)C(=O)N1CC(N(C)C(=O)c2cnc(N(C)C)cn2)C1 954344158 KWUZQWKQZGJLKD-SNVBAGLBSA-N 316.365 -0.015 30 20 DBED C[C@@H](C#N)C(=O)N1CC(N(C)C(=O)[C@H]2CCCCN2C(N)=O)C1 955393850 JYLQJNOTIBXVQV-CMPLNLGQSA-N 321.381 -0.252 30 20 DBED CC[C@@H](C(N)=O)N1C[C@H]2[C@H](NC(=O)c3c[nH]c(C#N)c3)[C@H]2C1 958618510 SHHXGSRYUFXIFG-QNWHQSFQSA-N 301.350 -0.190 30 20 DBED CC#CCN1C[C@H](CNC(=O)c2cc(C(N)=O)cs2)[C@@H](O)C1 958729479 WGGKALONEBOZNJ-RYUDHWBXSA-N 321.402 -0.107 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cnn[nH]1 960612625 NHTOGUAIBJMHMP-INTQDDNPSA-N 304.310 -0.984 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CN(C(=O)[C@@H]3CN(C)C(=O)N3)C[C@H]2C1 962052216 HCNFCUHTYTVQOX-WYUUTHIRSA-N 319.365 -0.914 30 20 DBED C=C(Cl)CN(C)[C@@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 971822745 YXRIWAGEUHGHNX-LLVKDONJSA-N 313.789 -0.133 30 20 DBED C#CCCN1CCO[C@]2(CCN(C(=O)CCn3cnnn3)C2)C1 972612308 RJEHOXNNFCHBLJ-OAHLLOKOSA-N 318.381 -0.610 30 20 DBED O=C1C[C@H](C(=O)N[C@H]2[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]32)CCN1 976351401 FIBRXDPSNZJMDJ-FOCJUVANSA-N 315.373 -0.501 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]1CN(C)C(=O)c1cc(=O)n(C)cn1 977933298 YVPDOQBFFIOIKG-WDEREUQCSA-N 317.349 -0.387 30 20 DBED Cc1cnc2nc(C(=O)NCC3[C@H]4CN(CC#N)C[C@H]34)nn2c1 978312243 QLFCPLLOCJFSON-VXGBXAGGSA-N 311.349 -0.136 30 20 DBED CN(C(=O)[C@H]1COC(=O)N1)[C@@H]1CCCN(C(=O)C#CC2CC2)C1 984174172 HVSGWNAMGUCZJZ-CHWSQXEVSA-N 319.361 -0.042 30 20 DBED CN(C[C@H]1CCN(C(=O)C#CC2CC2)C1)C(=O)[C@@H]1CNC(=O)N1 987990071 DVYXWCCXWLPKTH-OLZOCXBDSA-N 318.377 -0.612 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)[C@@H]3CCNC3=O)C2)cn1 997103916 MLXVQWNHYILRLQ-CYBMUJFWSA-N 312.329 -0.860 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC(NC(=O)c2cnon2)C1 998234787 CXJDQKZXOPLRJB-LBPRGKRZSA-N 303.322 -0.892 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](NC(=O)Cn2ncnn2)C(C)(C)C1 1008176496 OYVNUCJTFVZOKJ-UWVGGRQHSA-N 305.342 -0.814 30 20 DBED C#CCN1CCC[C@@H](NC(=O)Cn2ncn3nccc3c2=O)C1 1008738265 RIUKOLUENBBADE-GFCCVEGCSA-N 314.349 -0.895 30 20 DBED C[C@H]1C[C@H](NC(=O)Cn2cnnc2O)CN1C(=O)C#CC1CC1 1012583531 ZKWRFCUVZRHKBG-JQWIXIFHSA-N 317.349 -0.497 30 20 DBED C[C@H]1C[C@H](NC(=O)Cc2nc[nH]n2)CN1C(=O)C#CC1CC1 1012587058 IHBPKHPXLKORDH-JQWIXIFHSA-N 301.350 -0.134 30 20 DBED N#Cc1c[nH]c(C(=O)NC2[C@@H]3CN(C(=O)c4cnon4)C[C@@H]23)c1 1012914675 FZXOALMSWKPWBN-RKDXNWHRSA-N 312.289 -0.230 30 20 DBED C=C(C)CN[C@H]1CCN(C(=O)CCc2nnc(O)nc2O)C1 1019082077 KUPCTPAUQAOUQC-JTQLQIEISA-N 307.354 -0.018 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCN(C(=O)[C@H]3CCN(C)C3=O)C2)C1 1019364553 GUYLGSXRTFIOIS-RYUDHWBXSA-N 318.377 -0.315 30 20 DBED C=C(Cl)CN[C@H]1C[C@H](NC(=O)CN2CCN(C)C(=O)C2)C1 1020325170 WJAJEEJKHCGPIU-HAQNSBGRSA-N 314.817 -0.250 30 20 DBED CCc1nc[nH]c1C(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1O 1025077804 YRYLJAWHBVGERT-JMJZKYOTSA-N 305.338 -0.567 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C(F)F)C[C@H]1O 1025709717 XIVUZNAHFVZYAY-KYXWUPHJSA-N 304.293 -0.470 30 20 DBED COCCN1C[C@@H](C(=O)NC[C@@H]2CCN(CC#N)C2)CC1=O 1028578801 VDTUOTIYNOARRN-STQMWFEESA-N 308.382 -0.557 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)C3CC(=O)NC(=O)C3)CC[C@@H]21 1036841894 GYRAUZYJDJRTBM-YPMHNXCESA-N 303.362 -0.405 30 20 DBED C[C@@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)Cn2cccn2)C1 1040764861 ZSUJHSYSLLILGD-SMDDNHRTSA-N 305.338 -0.878 30 20 DBED C#CCN1CC[C@]2(CCN(C(=O)Cn3ncn(C)c3=O)C2)C1 1041424236 YHQCJHWVERDFTL-HNNXBMFYSA-N 303.366 -0.861 30 20 DBED CCc1cc(C(=O)NCC2(O)CN(C(=O)C#CC(C)C)C2)n[nH]1 1041594677 UGVNYVWQOQJZKM-UHFFFAOYSA-N 318.377 -0.065 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)C2CCCC2)C1 1043033323 XFUOELZDSMYPTJ-UHFFFAOYSA-N 308.378 -0.094 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)C2CC(OC)C2)C1 1043492889 YGDPGGPAILVJRO-UHFFFAOYSA-N 308.378 -0.096 30 20 DBED CO[C@H](C)C(=O)N1CCO[C@@H]2CN(c3ccc(C#N)nn3)C[C@@H]21 1043671598 WISAZQJJSCYGPH-KGYLQXTDSA-N 317.349 -0.201 30 20 DBED C=CCCOCC(=O)N1CC(O)(CNC(=O)Cn2ccnc2)C1 1043715639 WZHASIJKOSSZAS-UHFFFAOYSA-N 322.365 -0.835 30 20 DBED C[C@]1(C(=O)N[C@@H]2CN(c3ccc(C#N)nn3)C[C@@H]2O)CCOC1 1044144018 DHJYVIBMQOZKTN-XUJVJEKNSA-N 317.349 -0.559 30 20 DBED C=CCCCC(=O)NCC1(O)CN(C(=O)[C@H]2CC(=O)N(C)C2)C1 1045463027 UTJSDAMPXAWXDG-LBPRGKRZSA-N 323.393 -0.490 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)C2(CN(C)C)CC2)C1 1045546521 NMSNPQMAIZPLMT-NSHDSACASA-N 308.382 -0.823 30 20 DBED C#CCN1C[C@H]2C[C@@H](NC(=O)CN3C(=O)CNC3=O)C[C@H]1C2 1047198190 WFYBVWLIRFCBMK-QJPTWQEYSA-N 304.350 -0.860 30 20 DBED C[C@]1(C(=O)N2C[C@@H]3CN(CC#N)C[C@@H]3C2)CCCS1(=O)=O 1049113287 MAZWVMPTMGSVIA-MBNYWOFBSA-N 311.407 -0.133 30 20 DBED C=C(C)CN1C[C@H]2CN(C(=O)CC[C@@H]3NC(=O)NC3=O)C[C@H]2C1 1049206914 LJNVIBSJQUPIDR-XQQFMLRXSA-N 320.393 -0.059 30 20 DBED CC#CCN1C[C@H]2CN(C(=O)[C@H]3CCCS3(=O)=O)C[C@H]2C1 1049225194 QEQYEIRQMCVAFX-HZSPNIEDSA-N 310.419 -0.023 30 20 DBED C#CCCCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C(N)=O)C1 1049382591 QAPZWYOVOJJAJB-RYUDHWBXSA-N 309.366 -0.915 30 20 DBED C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)CN1CCNC(=O)C1 1049633431 BSEZNMODOZHNKB-UONOGXRCSA-N 306.410 -0.331 30 20 DBED N#CCN1CCOC[C@@H]1CNC(=O)[C@@H]1CCn2ccnc2C1 1050989998 ZUYXNGCMHRTUCP-OLZOCXBDSA-N 303.366 -0.214 30 20 DBED Cc1ccn2ncc(C(=O)NC[C@H]3COCCN3CC#N)c2n1 1051211288 BUTGWUGTENPNKD-LBPRGKRZSA-N 314.349 -0.008 30 20 DBED C=CCCOCC(=O)N1C[C@@H](C)[C@@H](CNC(=O)CC(N)=O)C1 1052833830 LVGIGXSRKOJREZ-NEPJUHHUSA-N 311.382 -0.335 30 20 DBED N#CCN1CC2(C1)CN(C(=O)[C@@H]1CCc3cncn3C1)CCO2 1053316177 NXAYJJINTGLWAJ-CYBMUJFWSA-N 315.377 -0.118 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)[C@H]1CCNC(=O)CC1)CCO2 1053358410 QQFZNNOYUVQBJE-CQSZACIVSA-N 319.405 -0.161 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)[C@H]1CC[C@@H]1C(N)=O)CCO2 1053373857 SBSYYHMAYMPPIS-STQMWFEESA-N 305.378 -0.566 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)[C@H]3CN(CC)CCO3)CO2)C1 1054015083 YINDIWJTKSMJEZ-UONOGXRCSA-N 307.394 -0.700 30 20 DBED CCCN(C)CC(=O)N[C@@]1(CO)CCCN(C(=O)[C@@H](C)C#N)C1 1056031758 DJAXQNFOFFMMKS-BBRMVZONSA-N 324.425 -0.042 30 20 DBED Cn1cc(C(=O)N[C@H]2[C@@H]3CN(c4cncc(C#N)n4)C[C@@H]32)nn1 1056198287 KXVDIRNWUOLSOD-IWIIMEHWSA-N 310.321 -0.659 30 20 DBED N#Cc1nccnc1N1C[C@H]2C(NC(=O)c3cnnc(O)c3)[C@@H]2C1 1056334172 YQIATOGVEOWTQN-NXEZZACHSA-N 323.316 -0.292 30 20 DBED C=C[C@](C)(O)CC(=O)NCCN(CCO)C(=O)c1cnccn1 1056833787 LEVMGDJHGVOVPE-HNNXBMFYSA-N 322.365 -0.646 30 20 DBED C#CCOCCC(=O)NCCN(CCO)C(=O)[C@@H]1CC1(F)F 1057509436 UKSISRVVQKZNGZ-NSHDSACASA-N 318.320 -0.381 30 20 DBED Cc1cc(C(=O)NCCN(CCO)C(=O)C#CC(C)C)n[nH]1 1057517054 JGSUVESKJYKJHO-UHFFFAOYSA-N 306.366 -0.072 30 20 DBED Cc1nn(C)cc1CC(=O)N(CCO)CCNC(=O)[C@H](C)C#N 1057905751 QSTDTHDVWKCZKK-LLVKDONJSA-N 321.381 -0.632 30 20 DBED C#CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)c1cnco1 1058196216 IVUIUPJIVVLRJN-NSHDSACASA-N 309.322 -0.736 30 20 DBED Cc1nc(N2CC[C@H](NC(=O)[C@H]3CNC(=O)N3)C2)ccc1C#N 1058530884 BYOYECFBCIWPCJ-NWDGAFQWSA-N 314.349 -0.362 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)C[C@@H]1CCCOC1 1058658723 KBTIKORVAPMDCM-OLZOCXBDSA-N 311.382 -0.100 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 1058916758 NDHQOMOMFROVCA-LPWJVIDDSA-N 309.366 -0.349 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](CCNC(=O)c2ncn(C)n2)C1 1060289763 SDJOTFUEMHGFSY-QWRGUYRKSA-N 304.354 -0.057 30 20 DBED O=C(Cn1cccn1)NC[C@@H]1COCCN1C(=O)C#CC1CC1 1061286226 TUGHXWACIQIHBY-CQSZACIVSA-N 316.361 -0.360 30 20 DBED N#Cc1ccc(N2CCO[C@H](CNC(=O)c3cnn[nH]3)C2)nn1 1063673544 PGFDRNPBJKTJOJ-SNVBAGLBSA-N 314.309 -0.898 30 20 DBED C#CCO[C@@H](C)C(=O)NC1(CNC(=O)[C@@H]2CCNC2=O)CCC1 1063910762 ZXWPDDUYRDEBJP-NWDGAFQWSA-N 321.377 -0.684 30 20 DBED Cc1cc(C#N)nc(NC[C@@H]2CCC[C@@H]2NC(=O)C(N)=O)n1 1064132638 CVINTNYJKMQTDT-ONGXEEELSA-N 302.338 -0.161 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2cnc(C)[nH]2)CCO1 1064977129 BRGSRLBJPDFISA-GFCCVEGCSA-N 322.365 -0.122 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](CNC(=O)c3cccnn3)C2)cn1 1067677763 JMGHCTZCUHQBKT-ABAIWWIYSA-N 324.344 -0.030 30 20 DBED Cc1cc(C#N)nc(N2C[C@@H]3C(CNC(=O)c4cnn[nH]4)[C@H]3C2)n1 1068210261 ULYGRJIEPSFKBX-VXGBXAGGSA-N 324.348 -0.113 30 20 DBED CC(=O)NCC(=O)N1CCOC2(CN(C(=O)C#CC(C)C)C2)C1 1068279626 OMPCUHMYUSYCST-UHFFFAOYSA-N 321.377 -0.778 30 20 DBED C=C(C)C[C@H](C)C(=O)N1CC2(CN(C(=O)CC(N)=O)CCO2)C1 1068363692 QXLQJEGTWBUFCY-LBPRGKRZSA-N 323.393 -0.096 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCOC2(CN(C(C)=O)C2)C1 1068396773 QIBXYKDSDXITQI-CQSZACIVSA-N 323.393 -0.083 30 20 DBED N#Cc1cnc(NC[C@H]2C[C@H](NC(=O)Cn3cnnn3)C2)cn1 1068449739 YDFUADMAOFGILK-MGCOHNPYSA-N 313.325 -0.658 30 20 DBED CCN(C)CCC(=O)N1CC2(C1)CN(C(=O)[C@H](C)C#N)CCO2 1068452064 YBRQXCFCTFDFBP-CYBMUJFWSA-N 322.409 -0.072 30 20 DBED C#CCOCCC(=O)N1CC2(C[C@@H](NC(=O)[C@@H](C)OC)CO2)C1 1068733843 YYJHHGYRSUGZQV-CHWSQXEVSA-N 324.377 -0.453 30 20 DBED Cc1nc([C@@H]2CN(C(=O)[C@@H](C)C#N)CC23CN(CCO)C3)n[nH]1 1070442662 LWYXQLKYPVDYHH-JQWIXIFHSA-N 318.381 -0.507 30 20 DBED N#Cc1ccc(C(=O)N2C[C@@H]3C[C@@H]4CN(CCO)C[C@]3(C2)O4)[nH]1 1070787017 UCSHDAXOGLVTOF-NORZTCDRSA-N 316.361 -0.206 30 20 DBED CC#CCN1C[C@H]2C[C@@H]3CN(C(=O)C4(C(N)=O)CC4)C[C@@]3(C1)O2 1070847871 LDUUNEDEHHBLTO-PBFPGSCMSA-N 317.389 -0.423 30 20 DBED C=CCN1C[C@H]2C[C@H]3CN(C(=O)CCn4cnnn4)C[C@@]3(C1)O2 1070871725 HAHUYWXTCUYLPZ-GZBFAFLISA-N 318.381 -0.449 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H](N2CCN(CCO)CC2=O)C1 1071259161 ZZOUXHNXDKQCET-CHWSQXEVSA-N 308.382 -0.726 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1C 1072017798 KWTCKJOSTXKPOT-VXGBXAGGSA-N 321.381 -0.016 30 20 DBED CC(C)C#CC(=O)N[C@H]1CN(C(=O)c2nnn(C)n2)C[C@@H]1C 1072543079 GYQKYDYQBSINPS-QWRGUYRKSA-N 304.354 -0.554 30 20 DBED C[C@@H](C(N)=O)N1CCC2(CN(C(=O)c3ccc(C#N)[nH]3)C2)C1 1072634652 GACSXDQHQQJPSI-JTQLQIEISA-N 301.350 -0.092 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)c2cn(C)ccc2=O)C1 1073690708 FCGXXSPPGWTCBB-CYBMUJFWSA-N 303.362 -0.161 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(C(=O)C2(C(N)=O)CC2)C[C@H]1C 1073816645 DREHFQFHDZQHSS-NEPJUHHUSA-N 323.393 -0.192 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)CNC(N)=O)CC[C@H]2C1 1074285033 YTQDPGQZBAGDOM-UTUOFQBUSA-N 321.381 -0.489 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CCN(C(=O)[C@@H]2CCN(C)C2)CC1 1074593457 TWSWCLZJQPXOCB-CHWSQXEVSA-N 322.409 -0.433 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(O)CCN(C(=O)[C@@H](C)C#N)CC1 1074704711 HCHGDACUULQXTN-SWLSCSKDSA-N 323.393 -0.057 30 20 DBED C[C@@H](CCNC(=O)CSCC#N)NC(=O)[C@H]1COC(=O)N1 1075675632 HNSPJSSCYKVFBY-DTWKUNHWSA-N 314.367 -0.637 30 20 DBED C[C@@H](CCNC(=O)c1nccnc1C(N)=O)NC(=O)[C@H](C)C#N 1076453528 LYCRRQGYANZQKR-BDAKNGLRSA-N 318.337 -0.640 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)c2ccc(NC(C)=O)cn2)C1 1077103198 DVJHNEDZAWSRQT-HUUCEWRRSA-N 316.361 -0.162 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2coc(C3CCOCC3)n2)C1 1077960463 VVLAXEAEARZDNY-DGCLKSJQSA-N 320.349 -0.133 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)c2cnn(CCOC)c2)C1 1078090303 MGZWNPODYDLLMY-ZIAGYGMSSA-N 306.366 -0.672 30 20 DBED C#CCNC(=O)CC(=O)N1CC(N(CC)C(=O)c2cc[nH]n2)C1 1079352587 FRRRCGUOVXTDMU-UHFFFAOYSA-N 317.349 -0.778 30 20 DBED C#CCNC(=O)CC(=O)N(CC)C1CN(C(=O)C(C)(C)F)C1 1079637945 RXSIJGWNBFZRGJ-UHFFFAOYSA-N 311.357 -0.067 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(N(CC)C(=O)[C@@H]2CCNC2=O)C1 1080218232 WGGWXCWXZBGPFA-WBMJQRKESA-N 323.393 -0.491 30 20 DBED C=CCCC(=O)NC1(CO)CCN(C(=O)c2cn(C)nn2)CC1 1080767283 XKQSTEFCGOHWDE-UHFFFAOYSA-N 321.381 -0.135 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CO)(NC(=O)c2cn(C)cn2)CC1 1080816075 RAAFVILSNVIZKI-LLVKDONJSA-N 319.365 -0.337 30 20 DBED COCCC(=O)NC[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1O 1081150253 SCKOIYXRFYHHGM-DGCLKSJQSA-N 320.349 -0.528 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2cccn2C)C[C@H]1O 1081344091 LYGXRDIELPVZCM-TZMCWYRMSA-N 321.377 -0.223 30 20 DBED CC(C)(O)CC(=O)NC[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1081448157 WWKZCVMUXHLRMF-CHWSQXEVSA-N 308.378 -0.504 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CC(C)(C)O)C1 1081449454 IAGKWIHRWJGKMY-NWDGAFQWSA-N 314.382 -0.715 30 20 DBED C=CCCOCC(=O)NC[C@@H]1CN(C(=O)c2cn[nH]c2)C[C@@H]1O 1081569998 WODRFUHEDOCEDA-OLZOCXBDSA-N 322.365 -0.449 30 20 DBED CC#CCCCC(=O)NC[C@@H]1CN(C(=O)c2cnn[nH]2)C[C@@H]1O 1081672127 UIIVKXHCVXWRPD-YPMHNXCESA-N 319.365 -0.453 30 20 DBED C#CCCCCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cnon2)C1 1081684687 JFIZTTBCUQQFPN-YPMHNXCESA-N 320.349 -0.188 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CCc1ccncn1 1083095971 HNVFOJKJIUFQED-LSDHHAIUSA-N 300.362 -0.046 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1nc(C)c(C)[nH]c1=O 1083117264 IBELDPMNCLUOFO-QWHCGFSZSA-N 316.361 -0.455 30 20 DBED Cc1noc2ncc(C(=O)N[C@@H]3CN(CC#N)C[C@@H]3O)cc12 1083687283 LDVHCUUEOLVKTB-NEPJUHHUSA-N 301.306 -0.170 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)Cc2ccccc2C(N)=O)C1 1083692050 TVCOJKGAAAIOHU-KGLIPLIRSA-N 303.362 -0.325 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)c2ccnc3c2nnn3C)C1 1083731604 GMIQVYIBAGYEDH-NEPJUHHUSA-N 314.349 -0.839 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)CN2C(=O)Cc3ccccc32)C1 1083813736 YOTSCNYTPXEXHA-HIFRSBDPSA-N 315.373 -0.077 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)Cc2ccc(C(N)=O)cc2)C1 1084106150 LSPUDIMZTHCZGC-CABCVRRESA-N 315.373 -0.487 30 20 DBED C#CCN1CC[C@@H](NC(=O)Cn2ncn(C)c2=O)CC(C)(C)C1 1089421873 YZVXMEQZBZRMAK-CYBMUJFWSA-N 319.409 -0.178 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2ccn(CCOC)n2)[C@H](O)C1 1090424030 VVUYXCDBNOIKJJ-DZGCQCFKSA-N 320.393 -0.282 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1O 1090489637 DOASIIQHYAICAY-QJPTWQEYSA-N 315.333 -0.948 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2ccc3nn[nH]c3c2)[C@H](O)C1 1090793762 HTQVZCMVGXAEBO-DGCLKSJQSA-N 300.322 -0.354 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H]1CC[C@H](CNC(=O)CC(N)=O)C1 1091569053 HVOGMFQWLWGEJJ-CMPLNLGQSA-N 301.350 -0.053 30 20 DBED COCC(=O)N(C)CCOCCN(C)c1ccc(C#N)nn1 1091873415 PDJJIVFCHLDOGI-UHFFFAOYSA-N 307.354 -0.094 30 20 DBED N#Cc1nc(=NCCNC(=O)[C@@H]2CCc3n[nH]cc3C2)cc[nH]1 1093760945 KWNYCYLTVGCRGZ-SNVBAGLBSA-N 311.349 -0.174 30 20 DBED N#Cc1cncc(NCCNC(=O)[C@@H]2CCCN(C(N)=O)C2)n1 1093992816 LLFQNDMTICDMMZ-SNVBAGLBSA-N 317.353 -0.333 30 20 DBED N#Cc1cnc(NCCNC(=O)CN2CCOCC2=O)c(F)c1 1094210510 LMOXWKPXFHOSHR-UHFFFAOYSA-N 321.312 -0.521 30 20 DBED C#CCCN1CCN(C(=O)c2ncc[nH]2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094630797 DEDVMCGHGNPLSS-NWDGAFQWSA-N 322.390 -0.644 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)Cn3cc(C)cn3)CC2=O)C1 1094706446 CCXHLWNSWVLFLK-CYBMUJFWSA-N 317.393 -0.221 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)c3cc(Cl)no3)CC2=O)C1 1094806447 PIAYPYBJVMNBDN-SECBINFHSA-N 322.752 -0.024 30 20 DBED N#Cc1ccc(NCCCNC(=O)[C@@H]2CC(=O)NC(=O)N2)cn1 1094812529 INSOMLKVODDNQX-NSHDSACASA-N 316.321 -0.530 30 20 DBED CNC(=O)CC(=O)NCC1CCN(c2cnc(C#N)cn2)CC1 1095350503 RPROKQNPTCRIEG-UHFFFAOYSA-N 316.365 -0.183 30 20 DBED C[C@H](NC(N)=O)C(=O)N[C@@H]1CCCN(c2cnc(C#N)cn2)C1 1096162456 LMVOFLVAEMPLQO-VHSXEESVSA-N 317.353 -0.510 30 20 DBED C[C@@H](CC(=O)N[C@H]1C[C@H](N=c2cc[nH]c(C#N)n2)C1)NC(N)=O 1097072002 YKFIQIUNJBURHA-GUBZILKMSA-N 317.353 -0.724 30 20 DBED C[C@@H](CNC(=O)CN1CCOCC1)N=c1cc[nH]cc1C#N 1097783804 PYFPKPHQWHWONV-LBPRGKRZSA-N 303.366 -0.376 30 20 DBED C[C@@H](CNC(=O)COC[C@@H]1CCOC1)N=c1cc[nH]c(C#N)n1 1098045030 ULKOIKWNFOTJPK-NWDGAFQWSA-N 319.365 -0.260 30 20 DBED C#CCN(CCO)C1CCN(C(=O)c2cnnn2CC)CC1 1098360429 GVLXIJJHABKTBL-UHFFFAOYSA-N 305.382 -0.170 30 20 DBED CN1CC[C@H](C(=O)N2CCC(N(CC#N)CCO)CC2)CC1=O 1098408255 LXLXAVCSQHOJRH-ZDUSSCGKSA-N 322.409 -0.336 30 20 DBED N#CCNCc1cn([C@@H]2CCN(C(=O)Cc3cnc[nH]3)C2)nn1 1098738790 AXOFNTBYUNAYFY-CYBMUJFWSA-N 314.353 -0.370 30 20 DBED C[C@H](CCNC(=O)C(=O)NCC1CC1)N=c1cc[nH]c(C#N)n1 1099427737 OHLPLCOETOXLEO-SNVBAGLBSA-N 316.365 -0.397 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H]2CCN(CCOCCO)C[C@@H]2O)c1 1099757851 KORQEOBRGCMFTA-JSGCOSHPSA-N 322.365 -0.940 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)c2n[nH]c(C)c2O)[C@@H](O)C1 1099773028 PUZCPERSZIMSNL-RYUDHWBXSA-N 324.381 -0.209 30 20 DBED C=CCCN1CC[C@@H](NC(=O)CNS(=O)(=O)CC)[C@@H](O)C1 1099860616 FKJNIKPHXHIJPD-NEPJUHHUSA-N 319.427 -0.947 30 20 DBED CC1(CC(=O)N[C@H]2CCN(CC(=O)NCC#N)C[C@@H]2O)CC1 1099927912 GDUJBHMLBGLFPG-RYUDHWBXSA-N 308.382 -0.632 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2csnn2)[C@H](O)C1 1099935906 WVSHPKFMUVMDEM-ZYHUDNBSSA-N 310.379 -0.647 30 20 DBED CN1CCO[C@@H](C(=O)NCCN(C)c2ccc(C#N)nc2)C1 1099996657 NZYOKHPFACSRBQ-CQSZACIVSA-N 303.366 -0.164 30 20 DBED C#CCCN1CC[C@@H](NC(=O)COC2CCN(C)CC2)[C@@H](O)C1 1100055980 MLNFNRDHSRFGGJ-CVEARBPZSA-N 323.437 -0.328 30 20 DBED CC[C@H](C(=O)NCC1CC(NCC(=O)NCC#N)C1)N(C)C 1100442474 JHNYLSXCOSNWFP-WXRRBKDZSA-N 309.414 -0.549 30 20 DBED CN(C)C(=O)CC(=O)NC[C@H]1CCCN1c1cncc(C#N)n1 1100913884 SAUCGVVJDMYZBZ-GFCCVEGCSA-N 316.365 -0.088 30 20 DBED C[C@@]12CN(CC(=O)NCC#N)C[C@@H]1CN(C(=O)[C@@H]1CCCO1)C2 1101114032 PPGVDCRGPZOBAW-WWGRRREGSA-N 320.393 -0.415 30 20 DBED CO[C@H](C)CC(=O)N1C[C@H]2CN(CC(=O)NCC#N)C[C@@]2(C)C1 1101166320 KBBWYQJEGJQBDT-IOASZLSFSA-N 322.409 -0.169 30 20 DBED C=CCN1CC2(C[C@H](NC(=O)[C@H](C)NC(N)=O)c3nccn32)C1 1101624419 UWRNXSBZPZEFJO-QWRGUYRKSA-N 318.381 -0.302 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)C[C@@](C)(O)C=C)C1 1101917023 VXGBJGLLJFBUJX-CPUCHLNUSA-N 321.421 -0.253 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@@H]1CN(CC(N)=O)C[C@H]1C 1102438853 GKRCKPWXKPMOSC-MRVWCRGKSA-N 324.425 -0.373 30 20 DBED C#CCNC(=O)CC(=O)N(C)[C@@H]1CCN(c2ncccn2)C1 1102694108 VRWYIZKJMDZVCI-GFCCVEGCSA-N 301.350 -0.347 30 20 DBED C#CCOCCC(=O)N1C[C@@H](C)[C@H](CCN[C@@H](C)C(N)=O)C1 1104182699 KZJMNDNRADKEIC-HZSPNIEDSA-N 309.410 -0.026 30 20 DBED C[C@@H](CNC(=O)[C@H]1CNC(=O)N1)CNc1nccnc1C#N 1104183977 SZBDOTDYJDCOKM-PSASIEDQSA-N 303.326 -0.806 30 20 DBED C[C@@H]1CN(C(=O)CN2CCCNC2=O)C[C@H]1CCNCC#N 1104383978 NGDXZBNDSADCMD-CHWSQXEVSA-N 307.398 -0.001 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)[C@H]1COCCN1C 1104526664 GAMCOVIGAIQJIH-VXGBXAGGSA-N 318.381 -0.640 30 20 DBED CC(C)[C@@H](CNC(=O)[C@H]1COCCO1)N=c1cc[nH]c(C#N)n1 1105141040 MNAIDJBJFASJSJ-VXGBXAGGSA-N 319.365 -0.262 30 20 DBED CN(CCN(C)c1nccnc1C#N)C(=O)C1CS(=O)(=O)C1 1105479914 VBLAUTSFJBMPDP-UHFFFAOYSA-N 323.378 -0.713 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H](O)CNC(=O)C[C@H]1CCCO1 1105718705 PEAQJZDUQKQDCJ-QWHCGFSZSA-N 304.350 -0.167 30 20 DBED CC(=O)N[C@H](C)C(=O)NC[C@@H](O)CN=c1cc(C)[nH]cc1C#N 1105735716 YAPLDWSNOBRLIC-MFKMUULPSA-N 319.365 -0.903 30 20 DBED C#CCN1CC(OC2CCN(C(=O)CCCC(N)=O)CC2)C1 1105736458 YQTCKVJNUATCSZ-UHFFFAOYSA-N 307.394 -0.033 30 20 DBED Cn1oc(C(=O)NC[C@H](O)CNc2ccc(C#N)nc2)cc1=O 1105795530 COTLKNSXYPWEGR-LLVKDONJSA-N 317.305 -0.552 30 20 DBED Cc1ccc(C#N)c(NC[C@H](O)CNC(=O)[C@H]2COC(=O)N2)n1 1105835057 FIBASGWXPAXNEK-WDEREUQCSA-N 319.321 -0.741 30 20 DBED Cc1n[nH]c(C)c1C(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1 1105932647 QSJMNLBFKWMOIY-JTQLQIEISA-N 315.337 -0.687 30 20 DBED Cn1cc(C(=O)NC[C@H](O)CNc2ccc(C#N)nc2)nc1O 1106092576 JEPRFWFPKHUHOH-LLVKDONJSA-N 316.321 -0.405 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)C2(F)CCOCC2)nn1 1106150305 QNMYFFMANCOYEV-NSHDSACASA-N 323.328 -0.244 30 20 DBED C#CCNC[C@@H]1CN(C(=O)[C@H](C)NS(C)(=O)=O)C[C@H]1C 1106703345 JKQVCRAUQRFFAK-GRYCIOLGSA-N 301.412 -0.759 30 20 DBED CO[C@H](C)CN1CC(n2cc(CNC(=O)[C@@H](C)C#N)nn2)C1 1107149497 HEHKPBKNCBOWPP-WDEREUQCSA-N 306.370 -0.054 30 20 DBED C#CCN1CC(n2cc(CNC(=O)Cc3ccon3)nn2)C1 1107150771 YXHVMZZLUVIRGP-UHFFFAOYSA-N 300.322 -0.385 30 20 DBED CNS(=O)(=O)CC(=O)NC/C=C/CN=c1cc[nH]cc1C#N 1107215127 XVGSZOHJKRXFFO-NSCUHMNNSA-N 323.378 -0.991 30 20 DBED C[C@H](CC(=O)NC/C=C\CN=c1cc[nH]cc1C#N)NC(N)=O 1107350010 BRZFRWBHJFFLET-OTDNITJGSA-N 316.365 -0.094 30 20 DBED C[C@H](CNc1nccnc1C#N)NC(=O)CCn1ccnn1 1107695925 VEQIDCROOIQVSR-SNVBAGLBSA-N 300.326 -0.053 30 20 DBED C#CCNC(=O)CN1CCO[C@@](C)(CNC(=O)/C=C\C2CC2)C1 1107840960 FQSRWMZDKGUZDA-TUYSUELWSA-N 319.405 -0.091 30 20 DBED C[C@@H](CN(C)c1ccc(C#N)nn1)NC(=O)[C@H]1CCC(=O)NC1 1109306033 XVGSRKCFTSMOLT-QWRGUYRKSA-N 316.365 -0.185 30 20 DBED N#Cc1cncc(NC[C@@H](NC(=O)Cn2ncnn2)C2CC2)n1 1109916723 AFERLDIHJHETJD-LLVKDONJSA-N 313.325 -0.658 30 20 DBED CNC(=O)CC(=O)N[C@]1(C)CCN(c2nccnc2C#N)C1 1110745113 CGVWZGFCTYZONL-CQSZACIVSA-N 302.338 -0.431 30 20 DBED CCOCCCC(=O)N(CCO)CCN=c1cc[nH]c(C#N)n1 1111432351 JABVSKKRGPQDSL-UHFFFAOYSA-N 321.381 -0.180 30 20 DBED CN(C)CCC(=O)N(CCO)CCNc1ccc(C#N)nn1 1111553455 HALGTIGJSOFKNI-UHFFFAOYSA-N 306.370 -0.467 30 20 DBED C=CCOCC(=O)N1C[C@@H](NCC(N)=O)[C@H](C(F)(F)F)C1 1112069630 GYVVGVOVIUAIPU-RKDXNWHRSA-N 309.288 -0.347 30 20 DBED CCOCC(=O)NC[C@H]1CN(c2nc(C)cc(C#N)n2)C[C@H]1O 1112692759 RLGXIJHHSAIJTE-WCQYABFASA-N 319.365 -0.394 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCN(CCN2C(=O)CNC2=O)CC1 1112814986 ZZDGUQHKLACPON-HNNXBMFYSA-N 324.381 -0.991 30 20 DBED C[C@@H](C#N)C(=O)NC1CC(CNc2ccc3nnnn3n2)C1 1112829184 WRRXOPPNIPCKPZ-IDKOKCKLSA-N 300.326 -0.014 30 20 DBED C[C@H](C(=O)N1CCN(CC(=O)NCC#N)CC1)c1cnn(C)c1 1113747221 MNJQMWIGUMASKP-LBPRGKRZSA-N 318.381 -0.692 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CN(c2ccnc(C#N)n2)CC[C@H]1C 1113994028 ICKQOLAUDILSKI-ZYHUDNBSSA-N 316.365 -0.185 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCCCC)C[C@@H]21 1114271697 ZRYCYRCXUICJBH-NYTXWWLZSA-N 321.421 -0.013 30 20 DBED C=CCCN1C[C@H]2C(NC(=O)CCNS(C)(=O)=O)[C@@H]2C1 1114361377 MTGHLCOMEVYGJC-GHMZBOCLSA-N 301.412 -0.452 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3c(C)ncn3C)[C@H]2C1 1114431438 PKMWNECQVPQEGR-RYUDHWBXSA-N 315.377 -0.862 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3ccnnc3C)[C@H]2C1 1114523417 ASLPPYNHGNCLDL-NHAGDIPZSA-N 313.361 -0.806 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1[C@@H]2CN(CCCO)C[C@@H]21 1114934677 CGHOYHLZGFOWMW-LJISPDSOSA-N 309.410 -0.114 30 20 DBED CCOCC(=O)NCCOCCN(C)c1ccc(C#N)nn1 1115175249 MGRJGENBUCVIEC-UHFFFAOYSA-N 307.354 -0.046 30 20 DBED CC1(C)CN(C(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)C[C@@H](CO)O1 1118118335 DXMRLZTZVKMOKX-TUAOUCFPSA-N 309.366 -0.207 30 20 DBED C=CCS(=O)(=O)CCNC(=O)[C@H]1CCc2nnnn2CC1 1118247113 XPMMLSMSUJKWLS-JTQLQIEISA-N 313.383 -0.657 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)c2cnc(C)cn2)CC1 1119113440 PZQQQBKNGHWGKJ-UHFFFAOYSA-N 323.378 -0.990 30 20 DBED C=CCOCCn1nnnc1N1CCO[C@@H](CC(=O)OC)C1 1120178620 LZWIZKBLNCPZMI-NSHDSACASA-N 311.342 -0.356 30 20 DBED CN1CCC[C@H]1C(=O)NC[C@@H](CO)Nc1cncc(C#N)n1 1121242903 SFPSOWIUXZFXSR-RYUDHWBXSA-N 304.354 -0.669 30 20 DBED Cn1cnc(C(=O)NC[C@@H](CO)Nc2ccc(C#N)nn2)c1 1121303853 RMYSQHDJJLJAQJ-JTQLQIEISA-N 301.310 -0.715 30 20 DBED C[C@H](C(=O)NC[C@H](CO)Nc1ccc(C#N)nn1)n1cncn1 1121346085 JYGOMSSWMTZARD-MWLCHTKSSA-N 316.325 -0.910 30 20 DBED N#Cc1c[nH]ccc1=N[C@H](CO)CNC(=O)[C@@H]1CCCCO1 1121455481 QHUFUSYNIDSWRY-JSGCOSHPSA-N 304.350 -0.167 30 20 DBED CNC(=O)NCC(=O)N1C[C@@H](N=c2cc[nH]c(C#N)n2)C[C@H]1C 1123317969 CYMGAEGIRWXVAK-ZJUUUORDSA-N 317.353 -0.900 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)[C@H](C)OC 1124281287 DGCHBONASQJTJV-ZJUUUORDSA-N 300.359 -0.873 30 20 DBED CN(C[C@@H](O)CNc1cncc(C#N)n1)C(=O)c1cncn1C 1124593248 XGZPZNOTJZCWJW-NSHDSACASA-N 315.337 -0.373 30 20 DBED COCCN(CCNC(=O)c1cnn[nH]1)c1ccnc(C#N)n1 1126561190 FECRPOSOLCFRDS-UHFFFAOYSA-N 316.325 -0.651 30 20 DBED CC#CCN1CCn2ncc(CNC(=O)[C@H](COC)OC)c2C1 1128476485 VDYMRYQJYRZFBL-HNNXBMFYSA-N 320.393 0.000 30 20 DBED CC[C@H](C(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1)N(C)C 1129064446 FXJLCVQXQPKRHF-UPJWGTAASA-N 305.386 -0.517 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)COCc1nccn1C 1130041444 MIIJWGGTWRKRGM-GFCCVEGCSA-N 323.397 -0.667 30 20 DBED C=CCNC(=O)CNCCNC(=O)COCc1cc(C)on1 1130114612 UVFBLWFPRFBVQK-UHFFFAOYSA-N 310.354 -0.492 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)[C@@H](CC)N(C)C 1130197398 HQCXMGVLAPALSM-LLVKDONJSA-N 313.402 -0.956 30 20 DBED C#CCNC(=O)CNCCNC(=O)CCOC[C@H]1CCCO1 1130688357 MCNYFUGEZCKKQF-CYBMUJFWSA-N 311.382 -0.973 30 20 DBED N#CCSCC(=O)N1C[C@H]2C[C@@H]3CN(CC(N)=O)C[C@]2(C1)O3 1131186741 DJKHOMYEZMRXSL-JTNHKYCSSA-N 324.406 -0.970 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)CNC(=O)CCC)C[C@@]3(C1)O2 1131201017 SALXNJUJMSGLHQ-CKEIUWERSA-N 319.405 -0.162 30 20 DBED C=CCOCC(=O)N1CCC(=O)NCCN(C[C@H](C)O)CC1 1131339376 AMGGBZSHUYPLPG-ZDUSSCGKSA-N 313.398 -0.780 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)c1cnn(C)c1C 1133708159 QNOPFXMQLREIIX-RYUDHWBXSA-N 319.409 -0.036 30 20 DBED C#CCOCCC(=O)N[C@@H](C)C[C@H](C)NCc1nc(O)n[nH]1 1134351308 FROIWVMKBJONCU-QWRGUYRKSA-N 309.370 -0.077 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1cnn(CCCOC)c1 1147055948 FGTPJCGQERMXOZ-UHFFFAOYSA-N 323.397 -0.459 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CCc2n[nH]cc2C1 1147678812 LXNMFWPZAMDZDD-NEPJUHHUSA-N 319.409 -0.089 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)C2(C(=O)NC)CCC2)C1=O 1148628211 ARNRFCDGPXZSTM-LBPRGKRZSA-N 322.409 -0.605 30 20 DBED C/C=C(\C)C(=O)NC[C@H]1CN(CC(=O)NCC#N)CCCO1 1149482146 QWHOYDXMKBHYCU-QQFGACLNSA-N 308.382 -0.201 30 20 DBED N#CCNC(=O)CN1CCCO[C@H](CNC(=O)/C=C/C2CC2)C1 1149522002 RUIKWSYWOOBZAH-ISZGNANSSA-N 320.393 -0.201 30 20 DBED C=CCN1CCCO[C@@H](CNC(=O)[C@H](C)S(C)(=O)=O)C1 1149904061 QGDDLCWFHSANNF-RYUDHWBXSA-N 304.412 -0.187 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)COCC(F)F 1154455414 PJEHAOQCXFAQHJ-SNVBAGLBSA-N 320.340 -0.266 30 20 DBED C[C@H](C#N)C(=O)NCCCNCCN1C(=O)NC(C)(C)C1=O 1155860493 MDZYICZXMAYPLQ-SNVBAGLBSA-N 309.370 -0.428 30 20 DBED C#CCCN(CC)[C@H](C)CNC(=O)c1cc(=O)n2[nH]cnc2n1 1156359099 LDENTDLDMFWZGL-LLVKDONJSA-N 316.365 -0.119 30 20 DBED C=CCOCCNCCCNC(=O)[C@H]1CCc2nnc(O)n2C1 1161262536 BXSKRDYQCCYHDO-LBPRGKRZSA-N 323.397 -0.155 30 20 DBED COCC#CCNCCCNC(=O)[C@@H]1CCCN(C(N)=O)C1 1162070322 VGPBZBTUPMCKDT-CYBMUJFWSA-N 310.398 -0.477 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)c1cc(C(N)=O)co1 1166479633 UXXZHDABSXNKIJ-JTQLQIEISA-N 322.365 -0.221 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)Cc1cscn1 1167718112 LSXOKRFREOZFSV-NSHDSACASA-N 308.407 -0.081 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)CCCCN[C@@H](C)C(=O)NC 1170310371 HFSKGLRWSFRXIP-OLZOCXBDSA-N 324.425 -0.475 30 20 DBED C=CCNC(=O)CN1CCO[C@H]2CCN(C(=O)COC)C[C@@H]21 1176877478 VRDVVYFMHQYEPE-STQMWFEESA-N 311.382 -0.763 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)CCNC(=O)NC)C[C@H]21 1176999584 GUWLMFGINRNVPT-OLZOCXBDSA-N 308.382 -0.760 30 20 DBED C#CCC1(C(=O)N2CC[C@H]3OCCN(CC(N)=O)[C@@H]3C2)CCC1 1177031849 ZCOVTCFNFRCOHQ-ZIAGYGMSSA-N 319.405 -0.033 30 20 DBED C#CCNCCCCCCNC(=O)CNS(=O)(=O)CC 1178621846 QHXAGHQHHMPCFL-UHFFFAOYSA-N 303.428 -0.175 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)C(C)(C)CNC(C)=O)C1 1186269323 OPOJCVSGJNLWCB-CYBMUJFWSA-N 322.409 -0.911 30 20 DBED N#CCNC[C@@H]1CN(C(=O)[C@H]2COC(=O)N2)CC12CCOCC2 1186368932 YNSPVIWAGYDQIE-VXGBXAGGSA-N 322.365 -0.537 30 20 DBED Cn1ncc(C(=O)N2C[C@H](CNCC#N)C3(CCOCC3)C2)n1 1186522612 VBQBBSLLXKUXQO-LBPRGKRZSA-N 318.381 -0.203 30 20 DBED COC[C@@H](O)CN(C)[C@@H]1CCN(C(=O)CSCC#N)C1 1188959272 PWZGZOYKBAWTIX-NEPJUHHUSA-N 301.412 -0.217 30 20 DBED C=CCOCC(=O)N1CC[C@@H](N(C)[C@@H](C)C(=O)NC(N)=O)C1 1189371363 QCMBFMHYNOTKLO-WDEREUQCSA-N 312.370 -0.695 30 20 DBED C=CCCOCC(=O)N1CC[C@H]2CN(CC(=O)NCC#N)C[C@H]21 1190424798 GGUMUMOZHFIYKV-UONOGXRCSA-N 320.393 -0.248 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2cccc(F)c2)C1 1190811449 IMKWBXMKWPIWFJ-ZIAGYGMSSA-N 321.352 -0.097 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(Cc2cncn2C)C[C@H]1O 1192523872 BCKMSYKNGLEWMD-NFAWXSAZSA-N 308.382 -0.592 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@H]1CCN(C(=O)CCN(C)CC)C1 1193280248 VJBWZXFKRLATNP-GJZGRUSLSA-N 322.453 -0.001 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)COCc2ccnc(O)c2)C1 1194110206 XKGXSQINQMVOQG-CHWSQXEVSA-N 305.334 -0.902 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2cc(C)co2)C1 1195460863 XITBKADBWXKAAE-VXGBXAGGSA-N 305.334 -0.888 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)[C@@H](NC(=O)COC)C(C)C)C1 1196725568 INNXONPNHMBOSQ-BZPMIXESSA-N 313.398 -0.879 30 20 DBED CCCCCS(=O)(=O)CC(=O)N[C@@H]1CN(CC#N)C[C@H]1O 1197724871 XHTMYBKZMPVIJX-VXGBXAGGSA-N 317.411 -0.724 30 20 DBED CNC(=O)CNC[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)CCCO1 1200281351 IYASXSJPFZLKNP-GFCCVEGCSA-N 319.365 -0.547 30 20 DBED CC(C)C(=O)N(C)CC(=O)N1CCCO[C@@H](CNCC#N)C1 1200634397 CLFQJKGKHFPRQE-ZDUSSCGKSA-N 310.398 -0.169 30 20 DBED C#CCNC[C@@H]1CN(C(=O)CN(C)C(=O)C2CC2)CCCO1 1200641892 MWEUSYSEZXRXES-CQSZACIVSA-N 307.394 -0.305 30 20 DBED N#CCNC[C@@H]1CN(C(=O)COC[C@H]2CCOC2)CCCO1 1201548409 WSMLZWHNORHWRB-UONOGXRCSA-N 311.382 -0.230 30 20 DBED C#CCNC[C@H]1CN(C(=O)CS(=O)(=O)CCC)CCCO1 1202088492 UZHAXCWVRHHSCB-ZDUSSCGKSA-N 316.423 -0.349 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)Cc2nnc(C)o2)[C@H](C)C1 1206928179 LASZBQZOPJSBDO-ZYHUDNBSSA-N 321.381 -0.341 30 20 DBED C#CCCCC(=O)N1CCC[C@H](NCCNS(C)(=O)=O)C1 1207934390 DAOANUDNIJEEIJ-ZDUSSCGKSA-N 315.439 -0.080 30 20 DBED CCC(=O)N[C@H](C)C(=O)N1CCC[C@H](NCC(=O)NCC#N)C1 1208121965 TXTFJKDPWIUEGM-NEPJUHHUSA-N 323.397 -0.879 30 20 DBED C#CCCN[C@@H]1CCCN(C(=O)[C@H]2CN(C(C)=O)CCO2)C1 1210891988 CSWNIYBNAQZPSE-HUUCEWRRSA-N 307.394 -0.162 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)c2cnco2)[C@H](OC)C1 1213237557 RUUUSDRZQFHHQZ-DMDPSCGWSA-N 322.365 -0.206 30 20 DBED CCCc1nc(CN2C[C@H](O)[C@H](NC(=O)[C@H](C)C#N)C2)no1 1219378867 HDUFWODWQKUNAH-MXWKQRLJSA-N 307.354 -0.157 30 20 DBED C=CCN1CC[C@@H](N2C[C@H](O)[C@H](NC(=O)/C=C/C3CC3)C2)C1=O 1219430884 RKIRNYAUBHFFOK-GADLPXAVSA-N 319.405 -0.099 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)c2cnn3c2CCC3)C1 1219763675 ZZVNLZPSZSBUDR-HIFRSBDPSA-N 318.377 -0.746 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@@H]2CN(C(=O)c3cnn[nH]3)[C@@H]2C1 1221667262 JMPMCXMRJJESJC-NQBHXWOUSA-N 316.365 -0.911 30 20 DBED C#CCO[C@H](C)C(=O)NCC1CCN(C[C@H](O)COC)CC1 1223182440 DVWRJYGZEQWENF-HIFRSBDPSA-N 312.410 -0.140 30 20 DBED CCN(CCC#N)C(=O)CN1CCC(NC(=O)CC(N)=O)CC1 1226698284 BWUFMDVICYTKQK-UHFFFAOYSA-N 323.397 -0.795 30 20 DBED C#CCOCCC(=O)NC1CCN(CC(=O)N2CCC2)CC1 1227332095 ITFUENAXFQVGTR-UHFFFAOYSA-N 307.394 -0.161 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)Cc1nc[nH]n1 1229606316 OMOXVEPFISPQLR-VXGBXAGGSA-N 318.381 -0.886 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)NCCNC(=O)c1cccnc1 1257050451 FULUCDBPEBBVIN-GFCCVEGCSA-N 320.349 -0.755 30 20 DBED C=CCCCNC(=O)C(=O)N1CCCN(S(C)(=O)=O)CC1 1261136575 KHZJNDNBHCACHB-UHFFFAOYSA-N 317.411 -0.437 30 20 DBED C=C(C)COCCNC(=O)C(=O)N(C)C[C@H]1COCCO1 1261712138 LPDDGZMFQIABGP-LBPRGKRZSA-N 300.355 -0.431 30 20 DBED C=CCNC(=O)CNC[C@H]1CCCN1C(=O)c1cncnc1 1319063463 JJXOOGCWEUXRMD-CYBMUJFWSA-N 303.366 -0.027 30 20 DBED C=CCNC(=O)CNC(=O)NCC(C)(C)N1CCN(C)CC1 1319876334 BFJFNBXHYDSKRA-UHFFFAOYSA-N 311.430 -0.386 30 20 DBED C#C[C@@H](NC(=O)C(=O)NCC(=O)N1CCCCC1)[C@H]1CCCO1 1322515360 WQBMNQPOSAUMFM-CHWSQXEVSA-N 321.377 -0.588 30 20 DBED C=CCCOCCNC(=O)C(=O)N[C@H]1CC(=O)N(C2CC2)C1 1324092759 WHKGOFQDIFLLHH-NSHDSACASA-N 309.366 -0.425 30 20 DBED CCN(CC)[C@H]1CCN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)C1 1326513840 XITDGFIJDZTZAG-BBRMVZONSA-N 322.409 -0.194 30 20 DBED C=CCCSCCNC(=O)C(=O)N[C@H]1CCS(=O)(=O)C1 1336326060 HWQAUBSTVYUAKJ-JTQLQIEISA-N 320.436 -0.285 30 20 DBED C#C[C@H](NC(=O)N1CCN(C(=O)C(=O)O)CC1)[C@@H]1CCCO1 1339714749 DENWTSXATPEKFT-QWRGUYRKSA-N 309.322 -0.894 30 20 DBED C=CCOCCNC(=O)C(=O)N[C@@H]1CCN(C(=O)NCC)C1 1347345795 OJAZWHOMIZCATM-LLVKDONJSA-N 312.370 -0.775 30 20 DBED C=C(Cl)CN(C)CCNC(=O)CN1CCS(=O)(=O)CC1 1366592281 KHBVZTIOLWRSSS-UHFFFAOYSA-N 323.846 -0.483 30 20 DBED COCC(=O)NCCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)C#N 1374929692 VJROUGRXFXOKEF-WOPDTQHZSA-N 322.365 -0.890 30 20 DBED CC(C)[C@H](CNC(=O)CCS(C)(=O)=O)NC(=O)[C@@H](C)C#N 1376027686 YUKGCRASXNNKQP-QWRGUYRKSA-N 317.411 -0.162 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)CNC(=O)C1CC1 1386004885 JNFTXHBAIGNULG-WCFLWFBJSA-N 318.377 -0.126 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)c2cccn2C)C1 1390419058 PDNNEHQIYOULJO-ABAIWWIYSA-N 304.350 -0.122 30 20 DBED C[C@@H](C#N)C(=O)NC1CCC(NC(=O)C2(NC(N)=O)CC2)CC1 1397354518 ANRAUQUDKNJFQL-WHXUTIOJSA-N 321.381 -0.109 30 20 DBED CCCN(CCNC(=O)[C@H](C)S(C)(=O)=O)C(=O)[C@@H](C)C#N 1398254275 ZFURCRVSYNPLSY-QWRGUYRKSA-N 317.411 -0.066 30 20 DBED COCCc1nc(CN2CC(O)(CNC(=O)[C@@H](C)C#N)C2)no1 1402316796 JMPXKFLHCKDYRI-JTQLQIEISA-N 323.353 -0.919 30 20 DBED CCCN(C(=O)Cn1cnnn1)[C@H]1CCN(C(=O)[C@H](C)C#N)C1 1408963910 BOAYVLAKGGRMJE-NEPJUHHUSA-N 319.369 -0.328 30 20 DBED CN(C)CC1CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)CC1 1412526149 BEURTDHUEAMYTD-UHFFFAOYSA-N 319.365 -0.379 30 20 DBED C[C@H](C#N)C(=O)NC1CN(C(=O)[C@H]2CCn3ccnc3C2)C1 1416045252 DUYIKAVZLNIHJT-MNOVXSKESA-N 301.350 -0.068 30 20 DBED CS(=O)(=O)N1CC(CNC(=O)Nc2ccnc(C#N)c2)C1 1426077623 WVBGYWMHPAFTQB-UHFFFAOYSA-N 309.351 -0.034 30 20 DBED C[C@@H](C#N)C(=O)NC1CN(C(=O)Cn2cc(C3CC3)nn2)C1 1430288477 DWERLKCIOSGIQV-VIFPVBQESA-N 302.338 -0.358 30 20 DBED COc1ccc(CC(=O)NC[C@@H](O)CNC(=O)[C@@H](C)C#N)nc1 1431566241 KMMNRHQEFWVVCC-CMPLNLGQSA-N 320.349 -0.614 30 20 DBED CCC(=O)N1CC[C@@H](C(=O)N2CC(NC(=O)[C@@H](C)C#N)C2)C1 1456399873 WPYGENURCKMHAH-WDEREUQCSA-N 306.366 -0.268 30 20 DBED C=C(Cl)CN[C@H](C)[C@@H]1CN(C(=O)Cn2cnnn2)CCO1 1485631241 RDHRDSJDFVXFEW-MNOVXSKESA-N 314.777 -0.369 30 20 DBED C[C@H](C#N)C(=O)NC1CN(C(=O)Cc2nnn(C(C)(C)C)n2)C1 1498383504 CZLSCZMLQMXFBR-SECBINFHSA-N 319.369 -0.543 30 20 DBED C#CC[C@@H](NC(=O)c1ccc(=O)n(-c2cnn(C)c2)c1)C(=O)O 1573303869 UIEBOVBYEZSRIZ-GFCCVEGCSA-N 314.301 -0.223 30 20 DBED C[C@H](C#N)C(=O)NCCCN(C)c1ccnc(-c2nn[nH]n2)n1 1588929037 FMLGSZKATCIXFI-SECBINFHSA-N 315.341 -0.241 30 20 DBED N#Cc1ncc(N2CCC[C@H](CC(N)=O)C2)nc1-c1nn[nH]n1 1592708208 AWQAFVCNFJZNKG-MRVPVSSYSA-N 313.325 -0.380 30 20 DBED N#Cc1ccc(CC(=O)N2CC(n3cc(C(=O)O)nn3)C2)cn1 1601097565 AYMKDPSRKSZEII-UHFFFAOYSA-N 312.289 -0.131 30 20 DBED COC(=O)[C@H](CC(=O)O)NS(=O)(=O)c1ccc(C#N)s1 1606325874 QDOJYHICYQRXLM-ZETCQYMHSA-N 318.332 -0.086 30 20 DBED N#CC1CCN(C(=O)C(=O)N2C[C@@H](O)C[C@H](C(=O)O)C2)CC1 1608179703 ZATYFPVHWUVPCO-QWRGUYRKSA-N 309.322 -0.957 30 20 DBED N#Cc1cccnc1N1CCN(CC(=O)NCCC(=O)O)CC1 1608221617 LEBNBOZTGIQFDN-UHFFFAOYSA-N 317.349 -0.334 30 20 DBED N#Cc1ncn(CC2CCS(=O)(=O)CC2)c1-c1nn[nH]n1 1609501152 DJNQFFPTTJAQIU-UHFFFAOYSA-N 307.339 -0.240 30 20 DBED N#Cc1ncn(CC(=O)Nc2cccc(OCC(N)=O)c2)n1 1645614261 VGECPEGCEZFNHJ-UHFFFAOYSA-N 300.278 -0.347 30 20 DBED Cn1nncc1Cn1cc(CN2CCOCC2)cc(C#N)c1=O 1645937927 GYSKLTBASGFMAO-UHFFFAOYSA-N 314.349 -0.271 30 20 DBED COC(=O)c1c(S(=O)(=O)N2CCOC[C@H]2C#N)n[nH]c1C 1649728316 KTSQNBGOXIAYHI-MRVPVSSYSA-N 314.323 -0.582 30 20 DBED COC1(CO)CCN(S(=O)(=O)N(C)C[C@@H](C)C#N)CC1 1649873051 TVPUJKUJVJZZNT-NSHDSACASA-N 305.400 -0.204 30 20 DBED C#CCO[C@H](C)C(=O)N1[C@H]2CC[C@H]1CN(CC(=O)NCC)C2 1752534486 KKDGEGOWIZVVNK-RDBSUJKOSA-N 307.394 -0.164 30 20 DBED C#CCNC(=O)CN[C@@H]1CCC[C@@H](NC(=O)c2cnsn2)C1 1752966603 URBRDMNXYJDQSI-GHMZBOCLSA-N 321.406 -0.082 30 20 DBED C#CCNC(=O)CN1CC[C@@H](CNC(=O)c2cn(CC)nn2)C1 1753137213 GFIKOXYAEONXCA-LBPRGKRZSA-N 318.381 -0.901 30 20 DBED C=CCNC(=O)CN1CC(NC(=O)[C@H]2CCCc3n[nH]cc32)C1 1753377508 BTKPZRUOFQILBF-LBPRGKRZSA-N 317.393 -0.068 30 20 DBED C#CCCN1CC[C@H](N2CCN(C(=O)[C@@H](C)CC(N)=O)CC2)C1 1754662890 IREREFNSTAKFRD-GJZGRUSLSA-N 320.437 -0.260 30 20 DBED C=CCn1cc(C(=O)N[C@@]2(CO)CCCN(CC#N)C2)nn1 1754858752 HYKGBLDGARHLTR-AWEZNQCLSA-N 304.354 -0.456 30 20 DBED COCC#CCN1CC(N2CCN(C(=O)c3ccon3)CC2)C1 1755144567 JPUBMCIXJNKVLW-UHFFFAOYSA-N 318.377 -0.234 30 20 DBED C#CCOCCC(=O)NC1(CCO)CN(Cc2ccon2)C1 1755332051 YQBIAHGGXBMREJ-UHFFFAOYSA-N 307.350 -0.233 30 20 DBED COCC#CCN1CC([C@H](C)NC(=O)C[C@H]2CC(=O)NC2=O)C1 1755392868 YKZKTQGMSJYYPY-RYUDHWBXSA-N 321.377 -0.875 30 20 DBED C#CCNC[C@@H]1CC[C@@H](NC(=O)CS(=O)(=O)CCOC)C1 1755737299 HSFLLCZDTBFVIW-CHWSQXEVSA-N 316.423 -0.445 30 20 DBED C=C(C)CN[C@H]1CN(C(=O)CS(=O)(=O)NC)CC1(C)C 1755767056 UTYIJYSZEQHPTQ-NSHDSACASA-N 303.428 -0.062 30 20 DBED COCC#CCNC[C@H](O)CN(C)C(=O)c1ncc(OC)cn1 1755783614 VTIUCLXIMJODDT-LBPRGKRZSA-N 322.365 -0.843 30 20 DBED C[C@@H](NC(=O)C#CC(C)(C)C)[C@H]1CN(C(=O)CC(N)=O)CCO1 1756219390 XPVCGZHNLWESJR-VXGBXAGGSA-N 323.393 -0.357 30 20 DBED Cc1ccn(C)c1C(=O)NC[C@@H](CO)NC(=O)C#CC1CC1 1756515973 SHEYCQHVYURPSU-ZDUSSCGKSA-N 303.362 -0.046 30 20 DBED C#CCOCCC(=O)N1C[C@H](NC(=O)c2nc[nH]n2)CC[C@@H]1C 1756803740 PSEDUMDFMRYQKR-NWDGAFQWSA-N 319.365 -0.046 30 20 DBED C[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)CSCC#N)C1)C1CC1 1756979991 XVORUBWMTOAWMF-MVWJERBFSA-N 311.407 -0.023 30 20 DBED C=CCOCC(=O)NC[C@H]1C[C@@H](NC(=O)Cn2nccn2)C1 1757312401 LJSLUKQPMXAYRM-TXEJJXNPSA-N 307.354 -0.508 30 20 DBED COCc1cc(CS(=O)(=O)N[C@@H](CCC#N)C(=O)O)no1 1777231417 INWGJOCEDDMQNN-JTQLQIEISA-N 317.323 -0.003 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)Cc1ncccn1)CCO2 1783048132 PQXGFYXDVWCCSU-MRXNPFEDSA-N 314.345 -0.518 30 20 DBED C=CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)CC(N)=O)CCO2 1783914844 DOSTUKVXFMLTAY-WBMJQRKESA-N 323.393 -0.096 30 20 DBED C#CC(=O)N1CC2(CCCN2C(=O)[C@@H](N)Cc2cccnc2)C1 1843387427 CCIQARJVOPADFA-AWEZNQCLSA-N 312.373 -0.212 30 20 DBED CC(C)N(C)CC(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1846713245 DDBNNSSAXMKUCF-UHFFFAOYSA-N 321.377 -0.382 30 20 DBED CC(C)N1CCCN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC1 68916381 OINAXJINGMZYCT-UHFFFAOYSA-N 305.382 -0.124 30 20 DBED C#CCN1CCN(S(=O)(=O)c2n[nH]c(C)c2C(=O)O)CC1 70446543 RBKCALMEHSVTHH-UHFFFAOYSA-N 312.351 -0.644 30 20 DBED N#C[C@@H]1CN(c2ccc(S(N)(=O)=O)cc2C(=O)O)CCO1 93935614 TUJYSTATAUHPDF-MRVPVSSYSA-N 311.319 -0.239 30 20 DBED COC(=O)[C@@H]1C[C@@H](O)CN1C[C@H](O)COc1ccc(C#N)cc1 264632433 VKYJDMGVTWYPLB-IPYPFGDCSA-N 320.345 -0.094 30 20 DBED C[C@H]1CN(C2CC2)C[C@H]1Nc1c(C#N)c(=O)n(C)c(=O)n1C 268138974 JWVXOVRNZWVKDZ-JOYOIKCWSA-N 303.366 -0.150 30 20 DBED CS(=O)(=O)NCCCNC(=O)C#Cc1ccc2c(c1)OCO2 268601585 FEVSKLLGOGVWOP-UHFFFAOYSA-N 324.358 -0.178 30 20 DBED CCNS(=O)(=O)c1ccc(CC(=O)NCC#CCO)cc1 282875840 IYSAGPZLVJOTIH-UHFFFAOYSA-N 310.375 -0.361 30 20 DBED C#CCNC(=O)CCN1CCN(C(=O)c2ccccn2)CC1 292869068 SEMPWHMCXFQXAN-UHFFFAOYSA-N 300.362 -0.021 30 20 DBED C#CCN(C)CCCNC(=O)c1ccc(S(=O)(=O)NC)o1 293885077 DAQPGIJWMACCRI-UHFFFAOYSA-N 313.379 -0.127 30 20 DBED CO/N=C/C(=O)N(C)CCOc1ccc(S(N)(=O)=O)cc1 294183509 WKCLWBBLYMSCSV-NTEUORMPSA-N 315.351 -0.197 30 20 DBED CCOCCCN/C(N)=N/CCCN(CC)S(C)(=O)=O 303904965 ZCEBYCRMVIUYKK-UHFFFAOYSA-N 308.448 -0.011 30 20 DBED CN1CC[C@@H]2OCCN(C/C(O)=N/CC(=O)N3CCCC3)[C@H]2C1 329036844 RNMDCAISBBISCU-KBPBESRZSA-N 324.425 -0.030 30 20 DBED Cn1c(CNc2c(C#N)c(=O)n(C)c(=O)n2C)nnc1C1CC1 329308005 ZJOFHBGTJXEJLI-UHFFFAOYSA-N 315.337 -0.426 30 20 DBED C[C@H]1CN(C[C@@H](C)O)CCN1C(=O)CNc1ccc(C#N)cn1 331085877 ZUMRAYMDJMXBFC-QWHCGFSZSA-N 317.393 0.279 30 20 DBED CC[C@]1(CO)CCCN(/C(O)=N/CCS(=O)(=O)NC)C1 331281222 FVFWMEHQNQYEGZ-LBPRGKRZSA-N 307.416 -0.066 30 20 DBED COCCC1(CNS(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 336956558 ZQZJUHOODPOVRG-NSHDSACASA-N 303.384 -0.138 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)NCC1(S(C)(=O)=O)CCC1 337155750 OEXVJWJEOGYYKH-JTQLQIEISA-N 323.440 -0.120 30 20 DBED N#Cc1ccc(S(=O)(=O)NCCCN2C(=O)CNC2=O)cn1 342045023 OMDXOFGPBZIOGL-UHFFFAOYSA-N 323.334 -0.827 30 20 DBED N#CCCCCNC(=O)C(=O)N1CCN(Cc2ncc[nH]2)CC1 343139303 FVQUAICPYIELHS-UHFFFAOYSA-N 318.381 -0.136 30 20 DBED Cc1ccn2c(=O)cc(Cn3c(=O)c(C#N)cn(C)c3=O)nc2c1 353696023 XBUUXEGEVFKTCS-UHFFFAOYSA-N 323.312 -0.217 30 20 DBED CN(CCC#N)S(=O)(=O)NCC1(S(C)(=O)=O)CCC1 360203751 RGHGCTYAGUMEHW-UHFFFAOYSA-N 309.413 -0.366 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N1CCN(CC(C)(C)O)CC1 407955309 JGDFAMYAZMMGBX-GFCCVEGCSA-N 318.443 -0.289 30 20 DBED N#Cc1ccc(NC(=O)C(=O)NCCOCC(N)=O)c(Cl)c1 441897583 FROFVYLLPNFLBH-UHFFFAOYSA-N 324.724 -0.232 30 20 DBED C[C@H]1CCN(C(=O)C(=O)Nc2ccn(CCC#N)n2)[C@H]1CO 443819852 ZCRGPUVAFAKJKM-QWRGUYRKSA-N 305.338 -0.035 30 20 DBED C#CCN(C)CCCNC(=O)N[C@@H](CC)CNS(C)(=O)=O 491461472 FDPKWJOUYBBTRL-LBPRGKRZSA-N 318.443 -0.432 30 20 DBED C#CCN(C)CCCNC(=O)N1CCN(S(C)(=O)=O)CC1 491656929 TZDJZMXNKPMKJW-UHFFFAOYSA-N 316.427 -0.772 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@@H](O)C2CCCCC2)CC1 491773811 CQYFVOFZBOSGDC-INIZCTEOSA-N 321.421 -0.179 30 20 DBED N#C[C@H](NC(=O)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1)C1CC1 578045501 RLPHDADDMGMFFT-RWMBFGLXSA-N 307.350 -0.189 30 20 DBED N#Cc1ncn(CCNC(=O)N2CCN([C@H]3CCOC3)CC2)n1 595621352 NUCBFKQZDQMEOF-LBPRGKRZSA-N 319.369 -0.734 30 20 DBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C1(n2cnnn2)CC1 597453082 ZOMMYMPOQWAURK-UHFFFAOYSA-N 315.341 -0.570 30 20 DBED CN(CCC#N)S(=O)(=O)N1CCN([C@@H]2CCC[C@@H]2O)CC1 611540601 FKTPWOUFKHMUQU-OLZOCXBDSA-N 316.427 -0.392 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@H](N(C)C)[C@H]2C)C1=O 615308344 MGDRMRMWXNADBP-MNOVXSKESA-N 322.365 -0.486 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N[C@H]2CCN(CC3CC3)C2)CCO1 619709625 SFEKBJLAAMOGHB-QWHCGFSZSA-N 314.411 -0.471 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1CCc2c[nH]nc2C1 619712523 NTTDJMJYCNKLGW-UHFFFAOYSA-N 313.383 -0.125 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H](C)C[C@H](C)N)C1=O 647597072 KJGZEITUQSLWTD-SRVKXCTJSA-N 310.398 -0.526 30 20 DBED C=CCNC(=O)CNS(=O)(=O)C1CCC(C(=O)O)CC1 712785601 HCEXIQNKAJPNLI-UHFFFAOYSA-N 304.368 -0.149 30 20 DBED C#CCNC(=S)NC[C@H]1CCN(CCN2CCOCC2)C1 758190114 FLKNMZMLEJNMRP-CQSZACIVSA-N 310.467 -0.262 30 20 DBED C#C[C@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 775384254 DADGJEWVDJGMBW-VHSXEESVSA-N 323.374 -0.410 30 20 DBED C#CCOCCNC(=O)NC[C@@H]1CCC[C@]12NC(=O)N(C)C2=O 784349216 SZTZTMVLLZTWLU-NHYWBVRUSA-N 322.365 -0.344 30 20 DBED C#Cc1cccc(NC(=O)CNC(=O)NCc2nnn(C)n2)c1 787007577 HOXXEPTUKSVEJL-UHFFFAOYSA-N 313.321 -0.371 30 20 DBED C#CCCN1CCN(C(=O)c2cnn(C[C@@H](O)CO)c2)CC1 825078138 VOEMTMJYIKNRNZ-CQSZACIVSA-N 306.366 -0.983 30 20 DBED C=CCNC(=O)Cc1noc(Cn2cc(C(=O)OC)cn2)n1 858742922 CUIPLYBSASDWPV-UHFFFAOYSA-N 305.294 -0.054 30 20 DBED C=CCS(=O)(=O)NC(=O)[C@H]1CNC(=O)C[C@@H]1C(F)(F)F 873514578 ZAEQDKVJGJFKSH-BQBZGAKWSA-N 314.285 -0.067 30 20 DBED C#CC1(O)CN(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C1 892650034 UBPAUNQGKQOFBE-ZDUSSCGKSA-N 322.409 -0.681 30 20 DBED C=CCCC(=O)[C@H]1CCCN1C(=O)CNC(=O)CNC(C)=O 908651777 PCIJFJSMKCIIOH-GFCCVEGCSA-N 309.366 -0.235 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCN[C@@H](c2cnn(C)c2)C1 913455917 FKQWIAYCLBYWNU-CABCVRRESA-N 301.394 -0.009 30 20 DBED CN(CC(=O)[C@@H](C#N)C(=O)NCc1ccccc1)S(C)(=O)=O 916889434 SAYBXSQYNWIEGX-GFCCVEGCSA-N 323.374 -0.097 30 20 DBED CNC(=O)[C@@H](C#N)C(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 917004998 IIYMLGBVDIXDEW-DWFQIMNCSA-N 301.302 -0.752 30 20 DBED C#CC[C@H](CO)NC(=O)NC1CCN(CCC(=O)N(C)C)CC1 917670672 UCIHPQWRBCCDDG-CQSZACIVSA-N 324.425 -0.388 30 20 DBED C#CCN(C(C)C)S(=O)(=O)N1CCN(S(C)(=O)=O)CC1 921431601 KXFNNUKKQMWBJP-UHFFFAOYSA-N 323.440 -0.848 30 20 DBED CN1C[C@@H](C(=O)N(C)[C@@H]2CCN(C(=O)C#CC3CC3)C2)NC1=O 937349332 DHIBKINNNDXMOF-OLZOCXBDSA-N 318.377 -0.517 30 20 DBED CC(C)(C(N)=O)C(=O)N1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 937798901 QNRLHPDEUGATAE-JTQLQIEISA-N 317.349 -0.271 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](N(C)C(=O)c2cn(C)c(O)n2)C1 939401423 KDZWIACYYUFZOD-NXEZZACHSA-N 305.338 -0.042 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H]1CNC(=O)c1ccc(C(N)=O)[nH]1 944251108 KLKQABYZUBROBU-VHSXEESVSA-N 317.349 -0.006 30 20 DBED C#CCCN1CCC2(CC1)CN(C(=O)[C@H]1C[C@H]1C(N)=O)CCO2 949191683 QVPNIERTDAAHCN-KGLIPLIRSA-N 319.405 -0.176 30 20 DBED C[C@]1(NC(=O)[C@H]2CCC(=O)N2)CCN(C(=O)C#CC2CC2)C1 956771612 WMRPXPKIDFLSHQ-WBMJQRKESA-N 303.362 -0.214 30 20 DBED C=CCN1C[C@@H](O)[C@H](CNC(=O)c2cccc3ncnn23)C1 958223716 PWXIFKOKEDYSRH-DGCLKSJQSA-N 301.350 -0.062 30 20 DBED CC(=O)N1CC(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2C)C1 958368302 PDDXDVSPEIHGGM-OPQQBVKSSA-N 306.366 -0.413 30 20 DBED Cc1cnc2c(C(=O)NC[C@@H]3CN(CC#N)C[C@@H]3O)cnn2c1 958445128 VFQUVPPUEZFTTA-YPMHNXCESA-N 314.349 -0.416 30 20 DBED C=C(C)CN1C[C@H](CNC(=O)c2nccnc2C(N)=O)[C@@H](O)C1 958655107 ZZKHXDXHFHMCPL-QWRGUYRKSA-N 319.365 -0.826 30 20 DBED C=CCN1C[C@H](O)[C@H](CNC(=O)c2noc3c2COCC3)C1 958725281 XGLNWIMPNDIAKD-PWSUYJOCSA-N 307.350 -0.044 30 20 DBED CN(C(=O)c1ccnn1C)[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 958725716 LXLMZPWGNQUONF-KBPBESRZSA-N 316.361 -0.523 30 20 DBED N#CCN1C[C@H]2C(NC(=O)c3coc(S(N)(=O)=O)c3)[C@@H]2C1 960625576 YERVUNGYDKWDLW-RKDXNWHRSA-N 310.335 -0.889 30 20 DBED C#CCCN1CC[C@H](C)[C@@H](NC(=O)Cn2ccc(O)nc2=O)C1 967268754 MHIMHODFEYQHDT-STQMWFEESA-N 318.377 -0.201 30 20 DBED C=CCCn1cc(C(=O)N2CC[C@@H](N[C@H](CC)C(N)=O)C2)nn1 970224711 XTZWNCVLEIDQBS-VXGBXAGGSA-N 320.397 -0.078 30 20 DBED N#CCN1CCO[C@]2(CCN(C(=O)CO[C@@H]3CCOC3)C2)C1 972378684 SWTDEABTTPPBLO-UKRRQHHQSA-N 309.366 -0.381 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CCNC2=O)C1 974354269 ATTZCEVHXDMNHN-MLGHIDQZSA-N 321.377 -0.523 30 20 DBED C[C@H]1C[C@H](NCC#N)CN1C(=O)c1ccc(S(N)(=O)=O)o1 989095528 RYTASIOOUFWSMV-IUCAKERBSA-N 312.351 -0.357 30 20 DBED N#Cc1c[nH]c(C(=O)NC2CN(C(=O)CN3CCCC3=O)C2)c1 990696085 QFIVUVDCFGWJAQ-UHFFFAOYSA-N 315.333 -0.551 30 20 DBED O=C(N[C@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1O)c1ccncn1 991692758 QUJSHTLRAFYLAK-JSGCOSHPSA-N 314.345 -0.418 30 20 DBED C=CC(C)(C)C(=O)N1CC(NC(=O)c2cn(C)c(=O)nc2O)C1 991696671 IESRAJNEPZUKBK-UHFFFAOYSA-N 320.349 -0.361 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CN(C(=O)Cn2nccn2)C1 992028469 CHGWLDYQMVRYEW-JSGCOSHPSA-N 319.365 -0.414 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)[C@@H]2CCCCS2(=O)=O)C1 993917274 KPXFPBZCZCIJCJ-ONGXEEELSA-N 313.379 -0.560 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(NC(=O)c2cnn[nH]2)C1 995178560 YEIFPHAHLOZTTQ-JQWIXIFHSA-N 305.338 -0.274 30 20 DBED C=C(C)CN1CC=C(CNC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 1001216299 NNZNCRNIQSUTRB-LBPRGKRZSA-N 306.366 -0.091 30 20 DBED N#Cc1cc(C(=O)NCC2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)c[nH]1 1001508795 ITNALAKMAWMCRR-NEPJUHHUSA-N 315.333 -0.804 30 20 DBED C#CCCN1CCC[C@H](NC(=O)CN2CCN(C)C(=O)C2)C1 1007684772 CDWCVKGOSVRCJZ-AWEZNQCLSA-N 306.410 -0.636 30 20 DBED C=CCn1cccc1C(=O)NCC1[C@H]2CN(C(=O)C(N)=O)C[C@H]12 1009173202 JKQHHNGBOYGLSQ-VXGBXAGGSA-N 316.361 -0.406 30 20 DBED C[C@H]1C[C@H](NC(=O)c2cn(C)nn2)CN1C(=O)C#CC1CC1 1012583359 YPPFWIVZLMBOFI-JQWIXIFHSA-N 301.350 -0.052 30 20 DBED Cc1nc(O)[nH]c1C(=O)NC1[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]12 1013262015 HRGHNFNRWMYNCS-NBEYISGCSA-N 303.322 -0.230 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(CC(=O)NC2CC2)C1 1014774488 FVVAMFIFGGOJTG-GJZGRUSLSA-N 318.421 -0.447 30 20 DBED C=CCN[C@H]1CCN(C(=O)C[C@]2(C)CCS(=O)(=O)N2)C1 1019702080 QBIRSCJSKSNORP-AAEUAGOBSA-N 301.412 -0.165 30 20 DBED NC(=O)CC(=O)N1CCO[C@@H]2CCN(C(=O)C#CC3CC3)C[C@H]21 1019879265 HMTYKTPROIPOIW-CHWSQXEVSA-N 319.361 -0.897 30 20 DBED C#CCN1CCCC[C@@H]1CNC(=O)[C@@H]1Cc2cncn2C(=O)N1 1024568146 QCHDONAEZBMNPZ-OCCSQVGLSA-N 315.377 -0.031 30 20 DBED C[C@H](NC(=O)c1nccnc1C(N)=O)[C@@H]1CCCN(CC#N)C1 1025614035 FGWKTDARWNYSSW-WDEREUQCSA-N 316.365 -0.071 30 20 DBED C[C@@H](C(=O)N1CCC[C@H](N(C)CC#N)C1)N1C(=O)CCC1=O 1027433130 SLSGFQOJTFTPCZ-RYUDHWBXSA-N 306.366 -0.030 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)Cn3nccc3C)C2)C1=O 1031030930 MPTLZBNNIZVZPU-AWEZNQCLSA-N 317.393 -0.221 30 20 DBED C#CCCN1CC(CNC(=O)[C@@H]2CN3CC4CC3(CO2)C4)C1 1031857077 PYKNRHUZQZXRIT-GULBITTBSA-N 303.406 -0.079 30 20 DBED C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCc2nnc(O)n2C1 1032484576 KMGVAPGYRWGJJW-AVGNSLFASA-N 315.377 -0.146 30 20 DBED C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cnn2c(=O)cc[nH]c12 1032670842 PJSMIYWUODSQQQ-RYUDHWBXSA-N 311.345 -0.055 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)c2nc3ncc(C)cn3n2)C1 1035407927 NNEICQIINNLYBF-LBPRGKRZSA-N 314.349 -0.503 30 20 DBED CN(C)Cc1cc(C(=O)NC[C@H]2CN(CC#N)CCO2)no1 1035421984 COTKDAKMUPSLTO-LBPRGKRZSA-N 307.354 -0.310 30 20 DBED C[C@H]1CN(C(=O)Cn2ccc(O)nc2=O)CC[C@@H]1NCC#N 1036102667 WZDRKHDXNDGOLH-QWRGUYRKSA-N 305.338 -0.701 30 20 DBED CC#CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)CN1C(=O)CN(C)C1=O 1037712039 DIHJIJINDUCOGI-SUNKGSAMSA-N 304.350 -0.907 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2CCN2CC(=O)NC2CC2)nn1 1038789238 FDMUTNMAKXVXIJ-LBPRGKRZSA-N 318.381 -0.453 30 20 DBED O=C(C#CC1CC1)NC[C@@]1(O)CCN(C(=O)c2n[nH]cc2F)C1 1039681315 YSQPCKIWVJVHOE-HNNXBMFYSA-N 320.324 -0.345 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC[C@@](O)(CNC(=O)c2nc[nH]n2)C1 1040550338 JXFOJGMJXBFRJA-IINYFYTJSA-N 323.353 -0.911 30 20 DBED CC#CCCCC(=O)NC[C@]1(O)CCN(C(=O)c2nc[nH]n2)C1 1040607272 URBMWSUUZZYKHB-OAHLLOKOSA-N 319.365 -0.309 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)Cc2ccn(C)n2)C1 1040759493 BMVDWCWYMZFQAN-NHYWBVRUSA-N 319.365 -0.798 30 20 DBED COCCn1cc(C(=O)N2CC[C@H]3CCN(CC#N)[C@H]3C2)nn1 1042046446 LKVJDDSXEANTNB-OCCSQVGLSA-N 318.381 -0.016 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)c2ncccc2O)C1 1042713053 MPGOLSLHBWIXAV-UHFFFAOYSA-N 317.345 -0.106 30 20 DBED C=C1CC(C)(C(=O)N2CC(O)(CNC(=O)c3cn(C)nn3)C2)C1 1042888393 CHCGCRAYENMBLP-UHFFFAOYSA-N 319.365 -0.526 30 20 DBED N#Cc1cc(C(=O)N2CC(O)(CNC(=O)c3ncc[nH]3)C2)c[nH]1 1042931130 ICKJQQDPCNKCOC-UHFFFAOYSA-N 314.305 -0.774 30 20 DBED CCO[C@@H]1C[C@@H]1C(=O)N1CC(O)(CNC(=O)C#CC(C)C)C1 1042936372 FMCMPPPLGKQPST-QWHCGFSZSA-N 308.378 -0.240 30 20 DBED Cc1conc1C(=O)N1CC(O)(CNC(=O)C#CC(C)C)C1 1042937449 HRXYGGOEFHHDOZ-UHFFFAOYSA-N 305.334 -0.054 30 20 DBED O=C(CCc1cnc[nH]1)NCC1(O)CN(C(=O)C#CC2CC2)C1 1043525354 NSDBRCPTMDTSNK-UHFFFAOYSA-N 316.361 -0.555 30 20 DBED C=CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2coc(C)n2)C1 1043571410 OOTHNILTIXUERQ-JTQLQIEISA-N 323.349 -0.123 30 20 DBED Cc1ocnc1C(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1043845189 QWXJLDXWTCSHHL-MNOVXSKESA-N 314.305 -0.376 30 20 DBED N#Cc1cncc(N2C[C@H](O)[C@H](NC(=O)[C@H]3C[C@@H]3C(F)F)C2)n1 1043923431 NUEDWVWWCSSFGC-MMWGEVLESA-N 323.303 -0.085 30 20 DBED C=C[C@@H](CC)CC(=O)N1CC(O)(CNC(=O)[C@@H]2CCC(=O)N2)C1 1044268977 DYZCYQMLXCSBPL-RYUDHWBXSA-N 323.393 -0.443 30 20 DBED CC(C)n1nccc1C(=O)N1CC(O)(CNC(=O)[C@@H](C)C#N)C1 1045552309 RYTPHODXVVUQIH-NSHDSACASA-N 319.365 -0.073 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)c2cnn(CCF)c2)C1 1045555021 MWYSFVWFPYCXIZ-SNVBAGLBSA-N 323.328 -0.685 30 20 DBED N#CCN1CC[C@@H](N2CCN(C(=O)c3n[nH]cc3F)CC2)C1 1046061248 KJCUQZVQCFPLMZ-LLVKDONJSA-N 306.345 -0.096 30 20 DBED N#Cc1cccnc1N[C@H]1C[C@@H](CNC(=O)[C@H]2CNC(=O)N2)C1 1046562258 MACFNUBFZUUJAL-ADEWGFFLSA-N 314.349 -0.059 30 20 DBED COc1ccnc(O)c1C(=O)N(C)[C@H]1CN(CC#N)C[C@@H]1O 1047598260 CINZGKGWHFONOK-UWVGGRQHSA-N 306.322 -0.564 30 20 DBED CCC(=O)NCC(=O)N(C)[C@H]1CN(C(=O)C#CC(C)C)C[C@@H]1O 1048566441 PKQKDMCFVWXISR-STQMWFEESA-N 323.393 -0.798 30 20 DBED C#CCOCCC(=O)N(C)[C@H]1CN(C(=O)[C@H](C)OC)C[C@@H]1O 1048844326 HNJDJVLWJOSHNX-AVGNSLFASA-N 312.366 -0.909 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)[C@H]1CN(C(=O)C(C)(F)F)C[C@@H]1O 1048845014 WXDDFNIRCISTCW-DCAQKATOSA-N 318.320 -0.290 30 20 DBED C#CCN1C[C@H]2CN(C(=O)Cc3ccc(C(N)=O)nc3)C[C@H]2C1 1048893227 PYAIWUYZGHQAEP-OKILXGFUSA-N 312.373 -0.254 30 20 DBED C=C[C@](C)(O)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cc[nH]c2)C1 1048957237 HVYBTDPZMAEOCZ-XEZPLFJOSA-N 321.377 -0.015 30 20 DBED C=CCO[C@@H](C)C(=O)N(C)[C@H]1CN(C(=O)c2cn[nH]c2)C[C@@H]1O 1049010580 CSZZWHQDRJPFRG-DRZSPHRISA-N 322.365 -0.356 30 20 DBED CCn1cc(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)C#N)C2)nn1 1049395047 PWDITBWYLCLQCX-DLOVCJGASA-N 320.353 -0.899 30 20 DBED Cc1nc[nH]c1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)C#N)C1 1049407307 CTLSLFHHBDPZJR-MIMYLULJSA-N 305.338 -0.479 30 20 DBED Cc1nn(C)c(=O)c(C(=O)NC[C@H]2COCCN2CC#N)c1C 1051056119 IXTBYOPNPKVRDL-LBPRGKRZSA-N 319.365 -0.649 30 20 DBED C#CCCN1CCOC[C@H]1CNC(=O)c1ccc(=O)n(C)n1 1051237822 ZKRAVLYDKLVORK-GFCCVEGCSA-N 304.350 -0.766 30 20 DBED C=C(C)CN1CCN([C@@H]2CCN(C(=O)Cn3cnnn3)C2)CC1 1051978404 QUDJBPNGQXYXMM-CQSZACIVSA-N 319.413 -0.532 30 20 DBED Cn1ncc(C(=O)N2CC[C@@H](N3CCN(CC#N)CC3)C2)n1 1052098620 LPJGGLHFZWXCHE-GFCCVEGCSA-N 303.370 -0.829 30 20 DBED CNC(=O)CC(=O)N1C[C@H](C)[C@H](CNC(=O)C#CC2CC2)C1 1052434117 CLWHOYHOGRUDGL-WCQYABFASA-N 305.378 -0.253 30 20 DBED C#CCN1CC2(C1)CN(C(=O)[C@H]1CC(=O)N(C(C)C)C1)CCO2 1053276743 SFDSKVDRFCQHCR-AWEZNQCLSA-N 319.405 -0.210 30 20 DBED CC#CCN1CC2(CC[C@H](CNC(=O)c3cc(=O)n(C)o3)O2)C1 1053594268 IAUWTDQPKRRNON-GFCCVEGCSA-N 319.361 -0.035 30 20 DBED C#CCNC(=O)CC(=O)NCCN1CCC(NC(=O)CC)CC1 1055564184 YKNRCZHGKLKBRW-UHFFFAOYSA-N 322.409 -0.767 30 20 DBED N#Cc1cnc(N2C[C@H]3[C@H](NC(=O)c4cc[n+]([O-])cc4)[C@H]3C2)cn1 1056100977 WWFUMBXGULYYIA-NHAGDIPZSA-N 322.328 -0.154 30 20 DBED Cc1cc(C#N)nc(N[C@@H]2CCN(C(=O)[C@H]3COC(=O)N3)C2)n1 1056617652 CJTGRARHGBXZGF-MWLCHTKSSA-N 316.321 -0.222 30 20 DBED N#Cc1nc(=N[C@@H]2CCN(C(=O)c3cnnc(O)c3)C2)cc[nH]1 1056722511 KDMGUNMOTWUCES-SNVBAGLBSA-N 311.305 -0.408 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)[C@@H]1CCC(=O)NC1 1057175055 SMRLHGVIZQIKLE-GFCCVEGCSA-N 311.382 -0.584 30 20 DBED C=C[C@@](C)(O)CC(=O)N(CCO)CCNC(=O)CSC 1057449694 GGHISAGSDDFDQP-CYBMUJFWSA-N 304.412 -0.386 30 20 DBED Cc1cc(C(=O)NCCN(CCO)C(=O)C#CC2CC2)no1 1057531513 RWEGYDMPUNIVNK-UHFFFAOYSA-N 305.334 -0.053 30 20 DBED CCN(CC)CC(=O)NCCN(CCO)C(=O)C#CC1CC1 1057532995 GDVWZKCPJDJDMD-UHFFFAOYSA-N 309.410 -0.321 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)CC1CCN(C)CC1 1057573127 BGZIBHDETYSWSH-CYBMUJFWSA-N 324.425 -0.185 30 20 DBED C#CCOCCC(=O)N(CCO)CCNC(=O)Cc1ccc[nH]1 1057583641 VVCGBFJPSWBRSP-UHFFFAOYSA-N 321.377 -0.466 30 20 DBED C#CCO[C@H](C)C(=O)N(CCO)CCNC(=O)c1[nH]cnc1C 1057587305 CMLYLTOUOBQFAM-GFCCVEGCSA-N 322.365 -0.693 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)[C@H]1CCCC(=O)N1 1057893064 JYVFEBDTEPYGTL-CYBMUJFWSA-N 323.393 -0.748 30 20 DBED C[C@@H]1OCCO[C@@H]1C(=O)N(CCO)CCNC(=O)C#CC1CC1 1057963088 GDFPHMMYYDCXBD-WFASDCNBSA-N 324.377 -0.859 30 20 DBED N#Cc1ccc(N[C@H]2CCN(C(=O)[C@H]3CCNC(=O)C3)C2)nn1 1058872353 LUGQWNTYLBNKRD-JQWIXIFHSA-N 314.349 -0.113 30 20 DBED Cc1nccn1CC(=O)N1CC[C@H](N=c2cc[nH]c(C#N)n2)C1 1058905782 HATCYRQILHPKBM-LBPRGKRZSA-N 311.349 -0.012 30 20 DBED CNC(=O)NCC(=O)N1CCC2(CC1)CN(C(=O)[C@H](C)C#N)C2 1061113723 YRTAXJZJAYMQSG-LLVKDONJSA-N 321.381 -0.474 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCOC[C@@H]1CNC(=O)c1cocn1 1061414920 KGXUUNXKUWXCIP-RYUDHWBXSA-N 321.333 -0.330 30 20 DBED N#Cc1nccnc1N1CCC[C@@H]1CNC(=O)[C@@H]1CNC(=O)N1 1061440246 CDCMYJAHWMGEKY-KOLCDFICSA-N 315.337 -0.885 30 20 DBED CN(C)CCC(=O)N1CCOC[C@H]1CNC(=O)C#CC1CC1 1061571778 GZYFTYWAPMJBBN-CQSZACIVSA-N 307.394 -0.305 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1COCCN1C(=O)[C@]1(F)CCOC1 1061572740 CRDYCSBJNFPQMU-CJNGLKHVSA-N 324.352 -0.128 30 20 DBED C=CCCOCC(=O)N1CCOC[C@H]1CNC(=O)c1cnn[nH]1 1061697395 PIYYBKRIHJSHHZ-LLVKDONJSA-N 323.353 -0.645 30 20 DBED Cc1c(C(=O)N2CCOC[C@H]2CNC(=O)[C@@H](C)C#N)cnn1C 1061845245 FXVYPWAAXSIOMR-CMPLNLGQSA-N 319.365 -0.155 30 20 DBED C#CCCCC(=O)NCC1(NC(=O)[C@@H]2CNC(=O)N2)CCC1 1062861809 YCBORZDKMKGSGC-NSHDSACASA-N 306.366 -0.374 30 20 DBED C=CCOCC(=O)N1CCO[C@@H](CNC(=O)c2ncccn2)C1 1064972300 UBOIAMPMLHUMSJ-LBPRGKRZSA-N 320.349 -0.364 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@H]1CN(C(=O)c2ncc[nH]2)CCO1 1065121490 YYZRUZCDXLZOQZ-IAQYHMDHSA-N 322.365 -0.306 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@H](CNC(=O)Cc2cc[nH]n2)C1 1065556964 MBLMEOWXXMSOIF-ZYHUDNBSSA-N 305.338 -0.545 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCCN(C(=O)CNC(C)=O)CC1 1066169393 HXUYIEFJHGMTOV-CQSZACIVSA-N 323.393 -0.340 30 20 DBED Cc1ccc(C#N)c(NC[C@H]2CN(C(=O)CC(N)=O)CCO2)n1 1066607554 RKHTZUGXLUHPEI-LBPRGKRZSA-N 317.349 -0.224 30 20 DBED C#CCO[C@H](C)C(=O)N(C)CCCN(C)C(=O)[C@H]1CCC(=O)N1 1067004412 GTKAGFUWROGPRL-CHWSQXEVSA-N 323.393 -0.390 30 20 DBED CN(C(=O)C(N)=O)[C@H]1CCCN(c2cncc(C#N)n2)CC1 1067607853 IGIOLWLWGJRGLG-NSHDSACASA-N 302.338 -0.349 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CCCN(C(=O)C2(NC(N)=O)CC2)C1 1070632696 HZZCLAUWXWXGOU-GFCCVEGCSA-N 320.393 -0.046 30 20 DBED C=CCN1C[C@H]2C[C@@H]3CN(C(=O)C4(C(N)=O)CC4)C[C@@]3(C1)O2 1070847751 HLSGBYYDINEMHU-XHBSWPGZSA-N 305.378 -0.260 30 20 DBED N#CCN1CCNC(=O)CCN(C(=O)c2cnns2)CC1 1070943578 VOSZIUSNICTYIT-UHFFFAOYSA-N 308.367 -0.674 30 20 DBED C[C@H]1CN(C(=O)Cn2cnnc2O)C[C@@]2(CCN(CC#N)C2)O1 1071149043 FVADNARNDUGREV-FZMZJTMJSA-N 320.353 -0.801 30 20 DBED C#CCN1CC[C@]2(C1)CN(C(=O)c1cnn(C)c1N)C[C@H](C)O2 1071160066 WUSDHHLGEIBYCH-LRDDRELGSA-N 317.393 -0.059 30 20 DBED C#CCN1CC[C@]2(C1)CN(C(=O)c1cn(C)nn1)C[C@@H](C)O2 1071164301 KAKMTFZUOLXLMR-DOMZBBRYSA-N 303.366 -0.246 30 20 DBED C[C@@H]1CN(C(=O)c2cn(C)c(O)n2)C[C@]2(CCN(CC#N)C2)O1 1071209409 JJBJRUMYMZDOSN-IAQYHMDHSA-N 319.365 -0.045 30 20 DBED C#CCN1CC[C@@]2(C1)CN(C(=O)CCn1cnnn1)C[C@@H](C)O2 1071223764 UANJGPPCDSZNDK-UKRRQHHQSA-N 318.381 -0.612 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H](N2CCN(CCO)CC2=O)C1 1071259163 ZZOUXHNXDKQCET-QWHCGFSZSA-N 308.382 -0.726 30 20 DBED N#CCN1CCC2(C1)CN(C(=O)C1CC3(C1)CS(=O)(=O)C3)C2 1072852739 MQJAEEPRKNGOMA-UHFFFAOYSA-N 323.418 -0.131 30 20 DBED C#CCCCC(=O)N1CC[C@@H](NC(=O)Cn2cnnn2)[C@H](C)C1 1073691306 BLHXGPFQNSHWNW-CHWSQXEVSA-N 318.381 -0.170 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(C(=O)c2cnn(C)n2)C[C@@H]1C 1073820888 XQTIMOGOAIONAM-NWDGAFQWSA-N 321.381 -0.016 30 20 DBED C[C@@H](CCNC(=O)c1c[nH]c(C#N)c1)NC(=O)CNC(N)=O 1076215892 ZVAQXOWUNKKOHC-QMMMGPOBSA-N 306.326 -0.821 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCCS2(=O)=O)C1 1077451229 ALLDTURJMOXGKA-JHJVBQTASA-N 314.407 -0.862 30 20 DBED Cc1nn[nH]c1C(=O)NCC[C@H](C)NC(=O)CSCC#N 1077702813 PBIOFGKMYRQKKA-QMMMGPOBSA-N 310.383 -0.006 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2ccc3nc(O)[nH]c3c2)C1 1077753510 KBDLSZMZJJUEHQ-CHWSQXEVSA-N 300.318 -0.323 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3cnnc3)cc2)C1 1077835559 UXANRTCXWNCPMQ-HUUCEWRRSA-N 311.345 -0.325 30 20 DBED Cc1nn(CC(=O)N[C@H]2C[C@H](NCC#N)C23CCC3)c(=O)n1C 1078796761 DANRFFBZJNPYNL-RYUDHWBXSA-N 318.381 -0.569 30 20 DBED CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)CCc2nc[nH]n2)C1 1080411305 JCBKWTGKRGNZEH-SNVBAGLBSA-N 304.354 -0.044 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(C(=O)c2csnn2)C[C@@H]1O 1081473139 DGFCWUGBKTXEKF-JQWIXIFHSA-N 320.374 -0.499 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(C(=O)Cc2cnoc2)C[C@H]1O 1081473652 JEXJDHMAHSKAQN-UONOGXRCSA-N 317.345 -0.434 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H]2CN(Cc3nccn3C)C[C@@H]21 1083025847 DUIXESSGNFZUFE-FRRDWIJNSA-N 303.366 -0.009 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)COC1CCOCC1 1083211712 MGFDQTYRHFGWNS-LSDHHAIUSA-N 308.378 -0.273 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2cc(Cn3cccn3)on2)C1 1083931846 GDSWCGXMBMHPHI-OLZOCXBDSA-N 316.321 -0.782 30 20 DBED N#Cc1cc(C(=O)NC[C@H]2C[C@@H](N[C@H]3CCNC3=O)C2)c[nH]1 1086064639 YZVDYEVYVHHTRR-NDMJEZRESA-N 301.350 -0.127 30 20 DBED CC(C)(C)n1cc(C(=O)N[C@H]2CCN(CC#N)C[C@@H]2O)nn1 1090313358 AGIUDORGUHBAMF-JQWIXIFHSA-N 306.370 -0.278 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)CN2CCCNC2=O)[C@H](O)C1 1090390396 GUQNZZPWWFWZHC-CHWSQXEVSA-N 310.398 -0.471 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2ncc(OC)cn2)[C@@H](O)C1 1090419184 FKSWLAFAMGZUOJ-OLZOCXBDSA-N 304.350 -0.327 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2ccc(C(N)=O)cc2)[C@@H](O)C1 1090803222 ZFJKRSFYEABHSU-CABCVRRESA-N 315.373 -0.026 30 20 DBED CN(C)CCC(=O)N[C@H]1CCN(c2nccnc2C#N)C[C@H]1O 1092173478 LHJSCGXKVNYVHY-WCQYABFASA-N 318.381 -0.644 30 20 DBED COCCOCC(=O)N[C@H]1[C@@H]2CN(c3cnc(C#N)cn3)C[C@@H]21 1093255392 XSESCPIGPOLBIO-JYAVWHMHSA-N 317.349 -0.438 30 20 DBED CN(C)CCC(=O)N[C@H]1[C@@H]2CN(c3cnc(C#N)cn3)C[C@@H]21 1093340773 BMDGARRAXMNXQW-JYAVWHMHSA-N 300.366 -0.149 30 20 DBED N#Cc1sc(NCCNC(=O)Cn2ncnn2)nc1Cl 1093890083 XBZWGPZWQKAYEZ-UHFFFAOYSA-N 312.746 -0.117 30 20 DBED Cn1cncc1[C@@H]1C[C@H]1C(=O)NCCN=c1cc[nH]c(C#N)n1 1094129510 DCBQEFNCTFOKPZ-GHMZBOCLSA-N 311.349 -0.165 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)c3ncccn3)CC2=O)C1 1094803900 QNNFSDLFHFIZFA-LLVKDONJSA-N 301.350 -0.323 30 20 DBED CNC(=O)NCC(=O)N1CCC[C@@H](N=c2cc[nH]cc2C#N)C1 1095329888 DKHOSNYSPCUWLR-GFCCVEGCSA-N 316.365 -0.293 30 20 DBED N#Cc1nccc(N2CC[C@H](NC(=O)CCn3cnnn3)C2)n1 1096415410 NPXPYXWNYBICOM-JTQLQIEISA-N 313.325 -0.880 30 20 DBED N#Cc1cnc(N[C@H](CNC(=O)[C@@H]2CNC(=O)N2)C2CC2)cn1 1096800857 PLELSRQYIIRXEF-MNOVXSKESA-N 315.337 -0.664 30 20 DBED C[C@@H](CC(=O)N1CC[C@H](N=c2cc[nH]c(C#N)n2)C1)NC(N)=O 1096961191 QNCQJXJSWMQEJE-UWVGGRQHSA-N 317.353 -0.770 30 20 DBED COCCO[C@H](C)C(=O)N[C@H]1C[C@H](N=c2cc[nH]c(C#N)n2)C1 1097065179 PYGJDGPQZUSFIA-IJLUTSLNSA-N 319.365 -0.119 30 20 DBED N#Cc1ccc(N[C@H]2C[C@@H](NC(=O)C3(C(N)=O)CC3)C2)nn1 1097248182 AZKWDQGXWWEIIJ-AOOOYVTPSA-N 300.322 -0.327 30 20 DBED COc1ccc(C(=O)NC[C@@H](C)N=c2cc[nH]c(C#N)n2)nn1 1098029028 UZGBOHSEUVKDMW-SECBINFHSA-N 313.321 -0.201 30 20 DBED CC#CCN(CCO)C1CCN(C(=O)[C@]2(C)CNC(=O)C2)CC1 1098437410 WVRIVAOFZNPAGY-KRWDZBQOSA-N 321.421 -0.179 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)C2=COCCO2)[C@H](O)C1 1099642806 WTEGKAAACVPVGP-CHWSQXEVSA-N 312.366 -0.371 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2cc(C)ncn2)[C@H](O)C1 1099775704 KHLVBLXNYIICMT-UKRRQHHQSA-N 318.377 -0.400 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CCN(CCS(C)(=O)=O)C[C@H]1O 1099820934 NDEKLRPRUWHYME-CHWSQXEVSA-N 316.423 -0.758 30 20 DBED CCc1n[nH]cc1C(=O)N[C@H]1CCN(CC#CCOC)C[C@H]1O 1099898548 DHNUDZHJTXCFCP-LSDHHAIUSA-N 320.393 -0.213 30 20 DBED COC(=O)[C@H]1C[C@@H]1C(=O)NCCN(C)c1ccc(C#N)nn1 1099961388 RLXLXXRVDXTGLW-QWRGUYRKSA-N 303.322 -0.290 30 20 DBED C=CCCCC(=O)N[C@H]1CCN(Cc2nnn(C)n2)C[C@@H]1O 1099975379 AVPKXSAHYSJTCH-RYUDHWBXSA-N 308.386 -0.382 30 20 DBED C=CCN1CC[C@H](NC(=O)COC2CCN(C)CC2)[C@@H](O)C1 1100056521 WACIGWDQRVPGEN-GJZGRUSLSA-N 311.426 -0.165 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CS(=O)(=O)C(C)C)[C@H](O)C1 1100116187 PNBNIKFWYCCZCY-CHWSQXEVSA-N 316.423 -0.616 30 20 DBED CCNC(=O)CC(=O)NC[C@H]1CCN(c2ccnc(C#N)n2)C1 1100975893 QYFZVPUMBFJHIP-LLVKDONJSA-N 316.365 -0.183 30 20 DBED C=C(C)CN1CC2(C[C@@H](NC(=O)CNC(N)=O)c3nccn32)C1 1101607859 ZVXXSDGOVNPKFY-LLVKDONJSA-N 318.381 -0.301 30 20 DBED C=CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)CNC(C)=O)C1 1101675329 BBYOGRUVHKADOA-DGCLKSJQSA-N 310.398 -0.891 30 20 DBED CN(C)CCOCC(=O)N(C)CCN=c1cc[nH]cc1C#N 1101693997 IZGIIOLKXZPEIO-UHFFFAOYSA-N 305.382 -0.176 30 20 DBED CN(CCNc1cnc(C#N)cn1)C(=O)C(=O)NCC1CC1 1101738923 LUQWMLUPSOHNFT-UHFFFAOYSA-N 302.338 -0.255 30 20 DBED COCC#CCN1C[C@@H](C)[C@H](CNC(=O)[C@@H]2CCNC2=O)C1 1102223059 PSEQYOOLHWAKGQ-MGPQQGTHSA-N 307.394 -0.544 30 20 DBED CC[C@@H](CNC(=O)CNC(N)=O)Nc1nc(C)cc(C#N)n1 1102966137 RQVHZPMZIWUGRJ-VIFPVBQESA-N 305.342 -0.368 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H](CC)Nc1ccc2nnnn2n1 1103197621 FBZLXUCDSLEZST-MNOVXSKESA-N 317.353 -0.136 30 20 DBED N#Cc1cncc(N2CCC(CCNC(=O)C(N)=O)CC2)n1 1103699644 TXRILKGKCYLSKL-UHFFFAOYSA-N 302.338 -0.444 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CN(c2ccnc(C#N)n2)CCO1 1104301885 MMQBWQCMSGBDES-GHMZBOCLSA-N 300.322 -0.171 30 20 DBED C[C@@H](CNc1ncccc1C#N)N(C)C(=O)[C@H]1CNC(=O)N1 1104784078 CJWLAVCVSIFLCD-GXSJLCMTSA-N 302.338 -0.107 30 20 DBED C#CCNCc1cn(C2CN(C(=O)C34CCN(CC3)C4)C2)nn1 1105360770 HGOQYEQNWAVAPQ-UHFFFAOYSA-N 314.393 -0.520 30 20 DBED N#Cc1cnc(NC[C@@H](O)CNC(=O)[C@@H]2CCCCO2)cn1 1105819770 LIGFOBZFKHEQIX-NEPJUHHUSA-N 305.338 -0.194 30 20 DBED Cn1nnc2c(NC[C@H](O)CNC(=O)C#CC3CC3)ncnc21 1105826101 YGTAQWVHCIVBMI-SNVBAGLBSA-N 315.337 -0.939 30 20 DBED C#CCCCCC(=O)NC[C@H](O)CNc1nccn2nnnc12 1105830393 BNXHASPARPXRRM-NSHDSACASA-N 317.353 -0.398 30 20 DBED C[C@]1(C(=O)NC[C@@H](O)CNc2ccc(C#N)cn2)CCNC1=O 1106104200 JOLSGILIBIMJGJ-NHYWBVRUSA-N 317.349 -0.632 30 20 DBED C[C@@H]1CCO[C@@H]1C(=O)NC[C@H](O)CNc1cnc(C#N)cn1 1106121588 CPFOPKLLBGHYNZ-XWIASGKRSA-N 305.338 -0.338 30 20 DBED C[C@@H]1CN(C(=O)Cn2ccc(O)nc2=O)C[C@H]1CNCC#N 1106387171 BRPWHTQOYYPJLF-GHMZBOCLSA-N 305.338 -0.843 30 20 DBED CCN(CCNc1ccc(C#N)nn1)C(=O)[C@H](C)NC(N)=O 1106736437 VMWGVWIFDMQYMW-VIFPVBQESA-N 305.342 -0.335 30 20 DBED CCN(CCNc1ccc(C#N)cn1)C(=O)[C@H]1CNC(=O)N1 1106928253 ILTOCPDJAVLVKC-LLVKDONJSA-N 302.338 -0.105 30 20 DBED CCNC(=O)CC(=O)NC/C=C\CNc1cncc(C#N)n1 1107131619 VWTKYTLEWKLUJT-ARJAWSKDSA-N 302.338 -0.041 30 20 DBED C#CCO[C@@H](C)C(=O)NCc1cn(C2CN(CC#N)C2)nn1 1107169663 PBVVIKYWSYXXNQ-NSHDSACASA-N 302.338 -0.687 30 20 DBED CC#CCN1CC(n2cc(CNC(=O)Cc3nc[nH]n3)nn2)C1 1107227800 SLHRJHZVCJZZCZ-UHFFFAOYSA-N 314.353 -0.865 30 20 DBED CC#CCN1CCO[C@](C)(CNC(=O)C[C@H]2CCNC2=O)C1 1107995251 XJOIAGZKSBOMOO-CZUORRHYSA-N 307.394 -0.257 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)c2cc(C(N)=O)cn2C)C1 1108055471 OEJWCEYMOGMOIT-MRXNPFEDSA-N 318.377 -0.422 30 20 DBED C#CCNC(=O)CN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cn[nH]c1)C2 1108625763 LWJQAAKUEBTXOB-YUTCNCBUSA-N 315.377 -0.258 30 20 DBED C[C@@H](CN(C)c1ccc(C#N)nn1)NC(=O)[C@@H]1CCN(C)C1=O 1109184353 XVKLYBOINMFPIY-JQWIXIFHSA-N 316.365 -0.233 30 20 DBED CN(CCCN=c1cc[nH]c(C#N)n1)C(=O)[C@H]1CCN(C)C1=O 1109584181 YICVHKBPLMXHOI-LLVKDONJSA-N 316.365 -0.491 30 20 DBED N#Cc1ccc(NC2(CNC(=O)[C@@H]3CC[C@H]3C(N)=O)CC2)nn1 1110300346 VYWWBWJIVXIDFI-GHMZBOCLSA-N 314.349 -0.080 30 20 DBED C#CCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1nnn(C)n1 1110553583 XXGNDKGLNHEXBC-UPJWGTAASA-N 318.381 -0.529 30 20 DBED CC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CC[C@H]1NC(=O)NC1=O 1111374145 BFMNZXRQRRGVCK-LPWJVIDDSA-N 318.377 -0.281 30 20 DBED CC(C)CO[C@@H](C)C(=O)N1CCN(CC(=O)NCC#N)CC1 1112657753 WUHAIONZAIFIAN-ZDUSSCGKSA-N 310.398 -0.169 30 20 DBED C#CCNC(=O)CC(=O)N1CCN(Cc2cnnn2CC)CC1 1112774404 VQYLLLUOBRKAMF-UHFFFAOYSA-N 318.381 -0.918 30 20 DBED C[C@H](NC(=O)c1ccc(O)nn1)[C@@H](C)N=c1cc[nH]c(C#N)n1 1112900651 SSAUFDVLMNPRAF-BDAKNGLRSA-N 313.321 -0.115 30 20 DBED C=CCCCN1CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)CC1 1113407114 LZTJSDIOVHACEM-ZDUSSCGKSA-N 310.398 -0.523 30 20 DBED C[C@@H](C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21)n1cccn1 1113894371 UFHSTLHYLPVAOI-CIQGVGRVSA-N 316.365 -0.870 30 20 DBED N#CCSCC(=O)N[C@H]1[C@@H]2CN(Cc3nc(O)n[nH]3)C[C@@H]21 1113897110 OIMAJFGWMPMCOV-VROVMSAKSA-N 308.367 -0.687 30 20 DBED N#Cc1cnc(N2C[C@H]3[C@H](CNC(=O)CC(N)=O)[C@H]3C2)cn1 1114546585 FXYLWNZJIUFFTI-RTCCRHLQSA-N 300.322 -0.978 30 20 DBED N#Cc1cnccc1N1C[C@H]2[C@H](CNC(=O)Cn3ncnn3)[C@H]2C1 1114575579 YWIWVODOUCHUBO-XYYAHUGASA-N 324.348 -0.562 30 20 DBED C=CCCN1C[C@H]2C(NC(=O)CCCS(N)(=O)=O)[C@@H]2C1 1114755828 QTAOWYHXXSVKQB-GHMZBOCLSA-N 301.412 -0.322 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)CCCCN(C)C)[C@@H]2C1 1115144376 VZEAEJQFGIQSKW-ZIAGYGMSSA-N 320.437 -0.486 30 20 DBED N#Cc1cccc(CNC(=O)C(=O)NCC(=O)N2CCCC2)c1 1117009961 WGDFJZMKVUPJKC-UHFFFAOYSA-N 314.345 -0.087 30 20 DBED CC[C@]1(C)CN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)CCO1 1118186641 IXHCKJCCYRWXMI-CABCVRRESA-N 309.366 -0.109 30 20 DBED C[C@H](CN(C)C(=O)C1CS(=O)(=O)C1)N=c1cc[nH]c(C#N)n1 1120122316 CYMMWRHTYOVOKL-SECBINFHSA-N 323.378 -0.926 30 20 DBED Cc1cc(=NC(=O)C(=O)NC2CCN(CC#N)CC2)cc[nH]1 1120821551 MIYUZDMLXWCDDE-UHFFFAOYSA-N 301.350 -0.145 30 20 DBED Cc1cc(C(=O)NC[C@@H](CO)N=c2cc[nH]cc2C#N)nn1C 1121150492 LYSHNGUGXKYBLJ-LBPRGKRZSA-N 314.349 -0.380 30 20 DBED CN1CC[C@H](C(=O)NC[C@H](CO)Nc2ncccc2C#N)C1 1121590116 IKEYRORJYDBORT-QWHCGFSZSA-N 303.366 -0.206 30 20 DBED C[C@@H]1[C@@H](NC(=O)CNC(N)=O)CCCN1c1cnc(C#N)cn1 1123514944 TXTUGJUAEROONL-KOLCDFICSA-N 317.353 -0.510 30 20 DBED CN(C)CCC(=O)N(C)C[C@H](O)CN=c1cc[nH]cc1C#N 1124708299 BNOWFOFAXMRYMF-CYBMUJFWSA-N 305.382 -0.442 30 20 DBED C#CCNC(=O)CC(=O)NCCNC[C@H](O)c1ccccc1F 1125998101 KBYBQMBAUURBRB-AWEZNQCLSA-N 321.352 -0.296 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)C[C@](C)(O)C=C)C1 1128962082 NMRBBJZIGWRKNO-VNHYZAJKSA-N 303.366 -0.420 30 20 DBED C[C@H]1Cc2cccc(C(=O)NCCNCC(=O)NCC#N)c2O1 1131469572 TYEWDFZNBXODFY-NSHDSACASA-N 316.361 -0.031 30 20 DBED CC#CCNCCNC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 1131614016 VTNPTCRJELREJK-CABCVRRESA-N 309.410 -0.405 30 20 DBED C[C@H]1CC[C@@H](NC(=O)c2cnccn2)CN1CC(=O)NCC#N 1131748270 RCLPGVZEGNVSNP-NWDGAFQWSA-N 316.365 -0.301 30 20 DBED C#CCNC(=O)CN1C[C@H](NC(=O)CC(=O)NCC)CC[C@@H]1C 1131985413 WTPJGNPJPQPLEC-QWHCGFSZSA-N 322.409 -0.769 30 20 DBED C=CCNC(=O)CN1C[C@H](NC(=O)c2cnn[nH]2)CC[C@@H]1C 1132145670 RKTBYJUSJFLNKN-WDEREUQCSA-N 306.370 -0.310 30 20 DBED COCC#CCNC[C@H]1CN(C(=O)CNC(N)=O)CC[C@H]1C 1132637430 JGAXFWMLUWHVKC-OLZOCXBDSA-N 310.398 -0.621 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1cccn2ccnc12 1135257273 MXXSLFMEAGSSNY-LBPRGKRZSA-N 313.361 -0.208 30 20 DBED C#CCCN[C@H](C)C[C@@H](C)NC(=O)c1cn(C)c(=O)n(C)c1=O 1135613544 GVACMHKZAWXPES-VXGBXAGGSA-N 320.393 -0.406 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC2(CN(C(=O)c3cc[nH]n3)C2)C1 1147030890 APRODGLVVWSPPM-LBPRGKRZSA-N 315.377 -0.305 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)c1cc(CC)on1 1148321864 LRXUHSOGAXZMSD-UHFFFAOYSA-N 323.353 -0.432 30 20 DBED C#CCCN1CCCO[C@H](CNC(=O)Cc2n[nH]c(C)n2)C1 1149688337 VUIYZDVFBLTENR-CYBMUJFWSA-N 305.382 -0.114 30 20 DBED N#CCNC(=O)CNCCNC(=O)COc1ccccc1F 1150958122 ZHPRPWZSSWRQMX-UHFFFAOYSA-N 308.313 -0.450 30 20 DBED C#CCNC(=O)CNCCNC(=O)C[C@H](C)n1nc(C)cc1C 1151130589 XSELIFAMDLSRTA-AWEZNQCLSA-N 319.409 -0.094 30 20 DBED C=CCn1cc(C(=O)NC[C@@H](C)N(CC)CC(=O)N(C)C)nn1 1155688515 UMHNBRKGCQJZAD-GFCCVEGCSA-N 322.413 -0.008 30 20 DBED CCN(CC#N)[C@H](C)CNC(=O)c1cnn2c(=O)cc[nH]c12 1155699782 KGSKWZQBGWZXEF-SNVBAGLBSA-N 302.338 -0.014 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)[C@@H]2CCCN2C)C1=O 1155812510 NXBMYIKPWPUTJP-KGLIPLIRSA-N 308.426 -0.037 30 20 DBED CC(C)NC(=O)NC(=O)[C@H](C)NCCCNC(=O)[C@H](C)C#N 1155854766 NZOXXPRKKNXYRD-MNOVXSKESA-N 311.386 -0.135 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)C1(F)CCOCC1 1159528344 VGEMSGRGNVMZPU-LBPRGKRZSA-N 313.373 -0.261 30 20 DBED C#CCN1CCC(CNC(=O)CNC(=O)OC)(COC)CC1 1162142148 IBGXOIWLCNMLBS-UHFFFAOYSA-N 311.382 -0.180 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)c1cn(C)ccc1=O 1162280926 IMQXTHKRJGZFJI-GFCCVEGCSA-N 320.393 -0.215 30 20 DBED C=CCNC(=O)CNCCCNC(=O)c1ccc2nnnn2c1 1162468607 CGMFHZVWOKPAPI-UHFFFAOYSA-N 317.353 -0.864 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)[C@@H]1CCCCC(=O)N1 1166463213 UAFVURNYRRXRNS-OLZOCXBDSA-N 322.409 -0.721 30 20 DBED Cc1n[nH]cc1C(=O)NCCC1(CNCC(=O)NCC#N)CC1 1166488497 CQZDRFDXAUMABC-UHFFFAOYSA-N 318.381 -0.152 30 20 DBED C#CCNCC1(CCNC(=O)COCc2nncn2C)CC1 1167569743 JVAAHEXQSNJNOY-UHFFFAOYSA-N 305.382 -0.159 30 20 DBED C=CCCn1cc(C(=O)NCCCNCc2cn(C)nn2)nn1 1167991733 QOUGHGCHDDLCMI-UHFFFAOYSA-N 318.385 -0.108 30 20 DBED N#CCNCC1(CCNC(=O)CC[C@H]2NC(=O)NC2=O)CC1 1168032787 MYIAGHWIQLNUAU-SNVBAGLBSA-N 307.354 -0.626 30 20 DBED C#CCNC(=O)CNCCCC[C@@H](C)NC(=O)[C@H]1CCN(C)C1 1176563949 IMIPBZWQQUQPCZ-CABCVRRESA-N 322.453 -0.048 30 20 DBED C[C@H]1[C@@H](NCc2nnn(C)n2)CCN1C(=O)CSCC#N 1178147744 JBCHPIJHNMCSFY-UWVGGRQHSA-N 309.399 -0.454 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](NCCN(C)S(C)(=O)=O)[C@@H]1C 1178351699 WJYPCHCUCZXNQP-SRVKXCTJSA-N 316.427 -0.384 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)C[C@@H]2COC(=O)C2)[C@H]1C 1178467766 OEOOYECFVLUMCF-AVGNSLFASA-N 323.393 -0.179 30 20 DBED COCC#CCN[C@H]1CCN(C(=O)[C@@H]2CCCNC2=O)[C@H]1C 1178940972 RCKNBBHMTUJLJY-MJBXVCDLSA-N 307.394 -0.259 30 20 DBED C=CCNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)c2ccon2)C1 1181280167 RELWYTODOCOURL-SNVBAGLBSA-N 321.337 -0.510 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](NCCCN2C(=O)CNC2=O)C1 1181660945 CNLFIPSXFLSKNP-WDEREUQCSA-N 307.354 -0.722 30 20 DBED C=CCNC[C@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C[C@@H]1C 1184424770 PQMGGABQLUWSLO-NWDGAFQWSA-N 320.397 -0.363 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)Cn2ccc(C)cc2=O)C1 1185985843 XPDKRUOZQHHBSU-OAHLLOKOSA-N 317.389 -0.003 30 20 DBED COCC#CCN1C[C@@H]2CCN(C(=O)c3ncn(C)n3)[C@@H]2C1 1187771573 GWEWHCBQXYSOQE-QWHCGFSZSA-N 303.366 -0.389 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@H](N(C)CC(=O)NCC#N)C1 1190094751 MYAGMJWKRPOOGE-OLZOCXBDSA-N 306.366 -0.803 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2cncnc2O)C1 1190837686 SAIKOJYMUMSREB-NSHDSACASA-N 319.365 -0.369 30 20 DBED C#CCCN(C)[C@@H]1CCN(C(=O)[C@H](CCC)S(N)(=O)=O)C1 1191552330 VLVIDDTVUICPAA-OLZOCXBDSA-N 315.439 0.000 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)Cc2ccon2)C1 1191952468 ULHSVISSEGRMNZ-RAIGVLPGSA-N 322.365 -0.931 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)c2cnco2)C1 1195090748 PEZKUQZMWFQKCU-GMTAPVOTSA-N 308.338 -0.860 30 20 DBED C#CCCCCCC(=O)N[C@@H]1CN([C@@H](C)C(=O)NC)C[C@H]1O 1195307052 LLACSMCZCMKPGO-BFHYXJOUSA-N 309.410 -0.134 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)c2cnco2)CCCO1 1201096326 IIJLUQSAIUAEBE-GFCCVEGCSA-N 320.349 -0.755 30 20 DBED CC#CCNC[C@H]1CN(C(=O)C(=O)NCC2CC2)CCCO1 1201741997 ZPLRDYRKLLEASR-AWEZNQCLSA-N 307.394 -0.257 30 20 DBED N#CCNC[C@H]1CN(C(=O)CCCn2cncn2)CCCO1 1201800141 DPEXEVBNUISTLH-ZDUSSCGKSA-N 306.370 -0.211 30 20 DBED C=CCO[C@H](C)C(=O)N1CCC(NCC(=O)NCC#N)CC1 1204028991 SNCBJKVUZYDJLM-GFCCVEGCSA-N 308.382 -0.202 30 20 DBED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)[C@H]1CC=CCC1 1211833861 QMCRLUUSGZLFGA-BFHYXJOUSA-N 320.393 -0.202 30 20 DBED C[C@@H]1CN(C(=O)[C@@H](C)n2cccn2)C[C@H]1NCC(=O)NCC#N 1214177338 VJVKLOOZXAQFEA-JHJVBQTASA-N 318.381 -0.480 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H]2[C@@H](C1)OCCN2C(=O)C1CC1 1217172433 MZXSQBZDMGZTQZ-KWCYVHTRSA-N 307.394 -0.001 30 20 DBED C#CCO[C@H](C)C(=O)NC1CCN(Cc2nnnn2C)CC1 1227299663 XASWKKOLKIUBEP-LLVKDONJSA-N 306.370 -0.671 30 20 DBED CC(C)C#CC(=O)NCC[C@@H]1CN(CC#N)CCS1(=O)=O 1230460637 SDDGFUBQESZQIG-CYBMUJFWSA-N 311.407 -0.225 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C[C@@H]1CCN1CC(=O)NCC#N 1234215360 KGVDEBJGFDZPDX-OLZOCXBDSA-N 306.366 -0.803 30 20 DBED C[C@H](OCC1CC1)C(=O)NCCCN(C)CC(=O)NCC#N 1235179958 PQMWGWZNGFHWNV-LBPRGKRZSA-N 310.398 -0.121 30 20 DBED C#CCC[C@H](O)CNC(=O)C(=O)Nc1cnn(CC(F)F)c1 1256560154 LWOFGHQQCJEUIE-JTQLQIEISA-N 314.292 -0.023 30 20 DBED C#CCOCCC(=O)N1CCC2(CC1)CN(C[C@H](O)COC)C2 1270845131 LJLWIRPVYJNGPH-HNNXBMFYSA-N 324.421 -0.042 30 20 DBED C=C[C@H](COC)NC(=O)CNS(=O)(=O)c1cn(C)cn1 1320606639 HVSKPUWTXFLACP-SECBINFHSA-N 302.356 -0.984 30 20 DBED C#CCNC(=O)C1CCN(C(=O)C(=O)NCC(F)F)CC1 1321257653 JWUJRSRDKRVETB-UHFFFAOYSA-N 301.293 -0.644 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CCN(CC)C(=O)[C@H]1CC 1323516990 FIOPQFJCBUTTQS-VXGBXAGGSA-N 311.382 -0.227 30 20 DBED C[C@H](N)CNC(=O)C(=O)N1CC(Oc2ccc(C#N)cc2)C1 1325422091 FOFVYXVJGOYCOB-JTQLQIEISA-N 302.334 -0.389 30 20 DBED Cc1cc(NC(=O)C(=O)N2CCC(O)(CO)CC2)ncc1C#N 1327295039 MSMLWCCAKFYWSZ-UHFFFAOYSA-N 318.333 -0.454 30 20 DBED CSc1nc(O)c(C(=O)N2CC(=O)N(C)C(=O)C2)cc1C#N 1329067097 SKNYLJBEWCIAAB-UHFFFAOYSA-N 320.330 -0.178 30 20 DBED C#CC1CCN(C(=O)C(=O)N[C@H]2CCN(CCOC)C2)CC1 1329334053 VVSVNENZVIXDCZ-AWEZNQCLSA-N 307.394 -0.305 30 20 DBED C[C@@H](O)CN(C(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1)C1CC1 1329458386 RHTZOUDVGZKTSO-BXUZGUMPSA-N 320.393 -0.443 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCSC[C@@H]1C 1329800459 HGYWFCHRCWXRAW-JTQLQIEISA-N 320.436 -0.333 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@H]([C@@H](C)O)C2)C1=O 1337483378 QPBWZAPMMLBHPW-NXEZZACHSA-N 309.322 -0.808 30 20 DBED CC(C)(O)CN(C(=O)C(=O)N1CC[C@@](O)(CC#N)C1)C1CC1 1345972378 NLKCACSNZDLQLJ-HNNXBMFYSA-N 309.366 -0.375 30 20 DBED C#C[C@H](CCC)NC(=O)C(=O)Nc1ccc(=O)n(CC(N)=O)c1 1346193830 AJSMMAPHYBCBOR-SNVBAGLBSA-N 318.333 -0.810 30 20 DBED CC[C@H](C)N(C)CCNC(=O)C(=O)N1CC[C@](O)(CC#N)C1 1349213724 XSFHBRHLPCUYNR-SWLSCSKDSA-N 310.398 -0.290 30 20 DBED C#CCSCCNC(=O)C(=O)NCCO[C@@H]1CCOC1 1351311559 HOLBEROFLRGCEX-LLVKDONJSA-N 300.380 -0.609 30 20 DBED CN(CC1(O)CCC1)C(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1351845967 CWXCOEQHUABGJB-CYBMUJFWSA-N 320.393 -0.441 30 20 DBED COCCCNC(=O)[C@H](C#N)C(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1356220530 IOHYRZOGYKELCF-CIQGVGRVSA-N 310.350 -0.101 30 20 DBED COc1cc(OC)nc(C(=O)NC[C@@H](C)NC(=O)[C@@H](C)C#N)n1 1372958106 KUTZWODWUVQVPT-DTWKUNHWSA-N 321.337 -0.112 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(C(N)=O)[nH]2)C1 1373200639 OCMOXIDUKXWCRJ-UWVGGRQHSA-N 317.349 -0.148 30 20 DBED CCc1nc(C(=O)N(C)C[C@H](O)CNC(=O)[C@@H](C)C#N)co1 1384220620 QMLKXGWWUVLPFM-VHSXEESVSA-N 308.338 -0.054 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)CCc1ccncn1 1399836526 SZPCRYCQZLGXPX-PWSUYJOCSA-N 305.338 -0.838 30 20 DBED COCCN(CCNC(=O)c1cc(C#N)c[nH]1)CC(=O)N(C)C 1411218036 SSHMCUXVADOHPH-UHFFFAOYSA-N 321.381 -0.347 30 20 DBED C[C@H](Cc1ccncc1)NC(=O)Cn1cc(C#N)c(O)nc1=O 1412607461 GFQLXNBNHMNAHN-SNVBAGLBSA-N 313.317 -0.037 30 20 DBED CN(C[C@@H](O)CNC(=O)c1cc(C#N)c[nH]1)C(=O)c1cn[nH]c1 1413234756 UUGSUHBIXKMKCC-NSHDSACASA-N 316.321 -0.528 30 20 DBED CCN1CCO[C@H](C(=O)N2CCC(NC(=O)[C@H](C)C#N)CC2)C1 1414663367 IGLZBBOOKBNJCY-OCCSQVGLSA-N 322.409 -0.026 30 20 DBED CC[C@@H](CNC(=O)c1cc(C#N)c[nH]1)NCc1nc(=O)n(C)[nH]1 1419170237 VOCYNFVHMWJXOB-JTQLQIEISA-N 317.353 -0.394 30 20 DBED CCN(CCNC(=O)[C@@H](C)C#N)C(=O)CCn1ncn(C)c1=O 1429680699 GTQQGQCQAJBNAX-NSHDSACASA-N 322.369 -0.904 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H]1CNC(=O)CNC(=O)C1CC1 1430935982 POMAYOSMSRSLOC-ZYHUDNBSSA-N 306.366 -0.221 30 20 DBED CCCN1C[C@@H](C(=O)N(C)CCNC(=O)[C@H](C)C#N)CC1=O 1449187727 KKKCBMSGJVSOQM-NEPJUHHUSA-N 308.382 -0.021 30 20 DBED Cn1c(C#N)ccc1C(=O)NCCc1nnc2n1CCNC2=O 1455774646 ONQKWEKSHIKRCO-UHFFFAOYSA-N 313.321 -0.796 30 20 DBED CC[C@@H](CNC(=O)CNC(=O)N1CCCC1)NC(=O)[C@H](C)C#N 1456786087 HVIMKZLYZFUJNJ-NEPJUHHUSA-N 323.397 -0.038 30 20 DBED Cn1c(=O)[nH]c(NCc2cc(=O)n3ccccc3n2)c(C#N)c1=O 1472820209 FQNPKIPXRYJGRY-UHFFFAOYSA-N 324.300 -0.435 30 20 DBED CN(CCNC(=O)[C@H]1CCCC(=O)N1C)c1ccc(C#N)nn1 1478263105 VYLKYPVPIICFJQ-GFCCVEGCSA-N 316.365 -0.088 30 20 DBED CCN(CCNC(=O)[C@@H](C)C#N)C(=O)[C@H](C)CS(C)(=O)=O 1496938859 QNUGMLMOEJRXII-WDEREUQCSA-N 317.411 -0.209 30 20 DBED CCOCC(=O)N1CCN(CCN(C)C(=O)[C@@H](C)C#N)CC1 1497856588 FKWNPVCDQICXPC-ZDUSSCGKSA-N 310.398 -0.215 30 20 DBED C[C@@H](CNC(=O)c1cnc2[nH]nnc2c1)CNC(=O)[C@H](C)C#N 1532274087 KNJAYRVXYIZWTC-RKDXNWHRSA-N 315.337 -0.005 30 20 DBED CS(=O)(=O)CC[C@@H](N)C(=O)NCCc1ccc(C#N)cc1 1574057384 LOXHCOASPWTRQV-CYBMUJFWSA-N 309.391 -0.021 30 20 DBED N#Cc1cn(CCC(=O)N2CCCC[C@@H]2C(=O)O)c(=O)nc1O 1574249036 PSCWNALGFDMEAP-SNVBAGLBSA-N 320.305 -0.324 30 20 DBED CC#CC[C@@H](N)C(=O)N1CCN(c2ncccc2C(N)=O)CC1 1574962743 OFVHDOMKYJXEGG-CYBMUJFWSA-N 315.377 -0.430 30 20 DBED CC#CC[C@@H](N)C(=O)N[C@@H](CO)C(=O)OCc1ccccc1 1574973515 WLRUKQBRFCDWPB-KGLIPLIRSA-N 304.346 -0.052 30 20 DBED C=CCN1C[C@@H](NC(=O)CCOCc2cnn[nH]2)[C@H](OC)C1 1575104605 TYROTUUEKDJNDF-CHWSQXEVSA-N 309.370 -0.287 30 20 DBED C#CCN(CC(=O)O)C(=O)C(=O)Nc1cccc(C(=O)NC)c1 1588395395 LLYMSPGVKGSEIT-UHFFFAOYSA-N 317.301 -0.469 30 20 DBED C=CCCO[C@@H](C)C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)O 1588459820 FXZSPUOXAXMJGV-UWVGGRQHSA-N 305.352 -0.322 30 20 DBED COCCN(CC#N)CCNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 1591421601 DTAWTLUFULKCMT-UHFFFAOYSA-N 318.341 -0.603 30 20 DBED CCOC(=O)CON=C(C(=O)N1CC[C@H]1C(=O)O)c1cc[nH]n1 1596628194 BFBKFOUKJGTLII-VIFPVBQESA-N 324.293 -0.621 30 20 DBED N#Cc1cccc(NC(=O)C(=O)N2CCC[C@H](O)[C@@H]2C(=O)O)n1 1601123037 YNWKOUPEGORYHD-GXSJLCMTSA-N 318.289 -0.672 30 20 DBED C#CCN(CC(=O)O)CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 1602695603 MAHXHDKHBZNXND-CQSZACIVSA-N 320.393 -0.301 30 20 DBED C#CCN(CC(=O)O)S(=O)(=O)[C@H]1CC(=O)N(C2CC2)C1 1602699259 QFKKZQVMDOBNDQ-JTQLQIEISA-N 300.336 -0.901 30 20 DBED C=C(CCC(=O)O)C(=O)NCCC(=O)NCCC(=O)OC 1602782502 NGRDQUCDWJMJNR-UHFFFAOYSA-N 300.311 -0.407 30 20 DBED C[C@@H](C(=O)N1CCC(C#N)CC1)n1cnc(-c2nn[nH]n2)n1 1602994693 CCVMLDYSEJNALR-QMMMGPOBSA-N 301.314 -0.219 30 20 DBED CN1CCN(S(=O)(=O)c2cncc(C#N)c2)C[C@@H](C(=O)O)C1 1606245406 FYYHMVAYZPCBPN-NSHDSACASA-N 324.362 -0.410 30 20 DBED COCCOCCS(=O)(=O)N1CCC(C#N)(C(=O)O)CC1 1606906344 CXHUGXRWHQJBSC-UHFFFAOYSA-N 320.367 -0.330 30 20 DBED Cn1c(=O)[nH]c(N[C@@H](C[C@H]2CCCOC2)C(=O)O)c(C#N)c1=O 1608075465 DCIFTKNJYKIALW-SCZZXKLOSA-N 322.321 -0.373 30 20 DBED COC(=O)c1ccc(Cn2c(N)nc(C#N)c2-c2nn[nH]n2)o1 1609303100 AFYUVTULCAQVEQ-UHFFFAOYSA-N 314.265 -0.055 30 20 DBED Cc1oc2ncn(C)c(=O)c2c1C(=O)N1CC(O)(CC#N)C1 1647174693 QNSNPFUWGVBXFX-UHFFFAOYSA-N 302.290 -0.065 30 20 DBED C#CCOCCC(=O)N1CC[C@@]2(CCN(C[C@H](O)COC)C2)C1 1716732692 ZTAOIXKOAFGKSX-DOTOQJQBSA-N 324.421 -0.042 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1C[C@@H](NC(=O)c2cc(C)ncn2)C1 1752747917 GVFNSAZIIXNBED-UPJWGTAASA-N 315.377 -0.227 30 20 DBED C#CCN1CCC[C@@H]([C@@H](C)NC(=O)Cn2c(O)nnc2O)C1 1752839945 FXJXNWWYRZIFLF-GHMZBOCLSA-N 307.354 -0.461 30 20 DBED C[C@H](CCNC(=O)c1cc[n+]([O-])cc1)NCC(=O)NCC#N 1753002154 XTTZPIKZHIDLCC-LLVKDONJSA-N 305.338 -0.942 30 20 DBED C=CCOCCN1CC(NC(=O)[C@@]2(C)CCCS2(=O)=O)C1 1753387867 BKZGTPVVFBTYQC-CQSZACIVSA-N 316.423 -0.043 30 20 DBED C=CCNC(=O)CN1CC(CNC(=O)[C@H](C)NC(=O)CC)C1 1753403311 RWGBXKMURFQKNN-NSHDSACASA-N 310.398 -0.749 30 20 DBED C=C(Cl)CN1CC(CNC(=O)CN2CC(=O)N(C)C2=O)C1 1753413682 LJMIEARPWBJLSA-UHFFFAOYSA-N 314.773 -0.319 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@H](C)NC(=O)c1ccnnc1C 1754274732 WGXPCMSSPIARKQ-CMPLNLGQSA-N 303.366 -0.369 30 20 DBED Cc1ccnc(C(=O)NC[C@H]2CCN2CC(=O)NCC#N)n1 1754480175 CDBAIIVOFLQWBZ-LLVKDONJSA-N 302.338 -0.771 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CNC(=O)c1cncc(OC)n1 1754495419 KXHLIENWHXPPGZ-LLVKDONJSA-N 317.349 -0.961 30 20 DBED C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CS(=O)(=O)NC 1754544157 XRYUNMUHQIHLGU-NEPJUHHUSA-N 301.412 -0.213 30 20 DBED COc1ncc(C(=O)N2CCC(O)(CNCC#N)CC2)cn1 1755154583 BETAVJFZIYYKTR-UHFFFAOYSA-N 305.338 -0.435 30 20 DBED C#CCCN1CCC(CO)(NC(=O)C(=O)NCC2CC2)CC1 1755181378 VTIQTZODOLHCDE-UHFFFAOYSA-N 307.394 -0.521 30 20 DBED C#CCN1CC(CCO)(NC(=O)c2nccn3cc(C)nc23)C1 1755337739 RUOCGUIQGGXRQJ-UHFFFAOYSA-N 313.361 -0.162 30 20 DBED N#CCN[C@@H](CO)CNC(=O)CNC(=O)c1cccc(F)c1 1755645673 FJCNFGHENTYREV-GFCCVEGCSA-N 308.313 -0.854 30 20 DBED C#CCNC(=O)CN1CC[C@@]2(NC(=O)c3cc[nH]n3)CCC[C@H]12 1755696211 XHTFDMMHUIIFNV-BBRMVZONSA-N 315.377 -0.114 30 20 DBED C=CCOCC(=O)N[C@@H](C)C1CN(C(=O)CNC(=O)C2CC2)C1 1756131085 ZXKFQRKRGGCETK-NSHDSACASA-N 323.393 -0.322 30 20 DBED C=CCCC(=O)NC[C@@H](CO)NC(=O)[C@H](C)N1CCOCC1 1756520542 YHADXSQRWGLHJV-STQMWFEESA-N 313.398 -0.733 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H](CO)NC(=O)c1cnoc1CC 1756520914 GRVRCIJOIKXOAF-WDEREUQCSA-N 323.349 -0.518 30 20 DBED C#CCOCCC(=O)N(CC)[C@H](C)CNC(=O)c1cn(C)nn1 1756850881 BDBODDWJLXLPRC-GFCCVEGCSA-N 321.381 -0.178 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CCO[C@@](C)(C(=O)O)C1 1776863632 RSBULEQVQMKPPJ-LLVKDONJSA-N 305.356 -0.358 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(C)n(C)n1)CCO2 1783047798 ICLLNNOWZOFBQZ-INIZCTEOSA-N 316.361 -0.195 30 20 DBED C#CCCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)C(O)O)CC2 1828085119 APECVOUZGPXCHM-MRVPVSSYSA-N 323.374 -0.221 30 20 DBED CCN(CC)C(=O)N1CCN(C(=O)Cn2cnc(C#N)n2)CC1 53620822 KTPBPOXTIGVGQY-UHFFFAOYSA-N 319.369 -0.244 30 20 DBED CNC(=O)C/C(N)=N/OCC(=O)N1CCc2ccccc2C1 177510897 NDONMOQFDVWCKS-UHFFFAOYSA-N 304.350 -0.004 30 20 DBED C=CCN(CCOC)[C@H](C)C(=O)N[C@@H]1CCS(=O)(=O)C1 191106525 ZODWJYKWBJBSNL-VXGBXAGGSA-N 304.412 -0.187 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CNCC[C@H]2C)C1=O 263023102 AXDMDFLHDIXZBI-NXEZZACHSA-N 308.338 -0.923 30 20 DBED COCCOCC/N=C(\N)N1CCN(c2ncccn2)CC1 264105351 PEBLARJTWWJRBD-UHFFFAOYSA-N 308.386 -0.424 30 20 DBED N#C[C@H]1COCCN1C(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 267161618 KJMMUCRBSWZMOS-NARNDRFESA-N 315.329 -0.456 30 20 DBED CC(C)(C)OC(=O)NCC(=O)NCC(=O)n1ncc(C#N)c1N 271151917 UXPRQLITFLEOND-UHFFFAOYSA-N 322.325 -0.382 30 20 DBED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)CN1CCN(CC)C(=O)C1=O 281335192 JNDFXGOEDFHJQA-TZMCWYRMSA-N 323.393 -0.226 30 20 DBED CN1C(=O)C(/C(N)=N/OCc2cnnn2C)=C(N)C12CCCC2 289450505 URIALRMRAHSQGB-UHFFFAOYSA-N 319.369 -0.399 30 20 DBED CCN(C[C@@H](C)C#N)C(=O)CN1[C@@H](C)C(=O)N(C)S1(=O)=O 294894645 BIKUCSOIFZSLBX-UWVGGRQHSA-N 316.383 -0.598 30 20 DBED CC(C)C(=O)/C(C#N)=c1/s/c(=C\c2ccnn2C)c(=O)n1C 298843365 DCNAJAVTGPHZHT-YMIXCSKESA-N 316.386 -0.092 30 20 DBED O=S(=O)([C@@H]1CCOC1)N1CC[C@@H](N/C(O)=N/C2CC2)C1 329568919 LRHUYXBFAZIMTQ-GHMZBOCLSA-N 303.384 -0.155 30 20 DBED CCOC(=O)c1cnn(CC(=O)N2CCN(C)CC2)c1C#N 330512728 KKYZHDAAYYGLHH-UHFFFAOYSA-N 305.338 -0.295 30 20 DBED CCN(CC)S(=O)(=O)CC(=O)NC1(C#N)CCOCC1 330966931 LMSFKNQXZHIYNF-UHFFFAOYSA-N 303.384 -0.153 30 20 DBED CN(C[C@H]1CCCOC1)S(=O)(=O)N1CCO[C@@H](C#N)C1 337096087 QWUYGXQHVZCEHJ-NEPJUHHUSA-N 303.384 -0.186 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N1CCS(=O)(=O)C[C@H]1C 337745676 CQMNJVAXMVWVQD-NXEZZACHSA-N 309.413 -0.416 30 20 DBED C=CCN1CC[C@@H](n2cc([N+](=O)[O-])cc(C(N)=O)c2=O)C1=O 347687364 PDXZWDULMJPPPZ-SNVBAGLBSA-N 306.278 -0.185 30 20 DBED CN(C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N)C1CC(O)C1 353327064 DCNHARPNFOFIEX-UHFFFAOYSA-N 319.365 0.430 30 20 DBED Cc1cccc(OC[C@H](O)CNC(=O)NCC(=O)NCC#N)c1 358303632 YNWDYMZFHFULAZ-GFCCVEGCSA-N 320.349 -0.326 30 20 DBED CCN(CC#N)C(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 369018589 YNNNGNRVQFQOCU-ZDUSSCGKSA-N 308.382 -0.461 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCN2C(=O)NC[C@@H]2C1 370300841 YUYPNSZXPAQWPO-GHMZBOCLSA-N 315.399 -0.578 30 20 DBED C[C@H](C#N)N(C)C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 436727503 ZFRHWEUXWVXMMX-MRVPVSSYSA-N 301.306 -0.384 30 20 DBED COC(=O)CC1(CS(=O)(=O)N2CC(O)(CC#N)C2)CC1 440079458 YBRYVEVPCVVGTQ-UHFFFAOYSA-N 302.352 -0.380 30 20 DBED CNC(=O)OC[C@@H]1CCCCN1C(=O)Cn1cnc(C#N)n1 496686394 RTGFVUUJJYBDMV-JTQLQIEISA-N 306.326 -0.113 30 20 DBED CCOC[C@H](NS(=O)(=O)N(CC)C[C@@H](C)C#N)C(=O)O 519162860 JGAGZQOJOYSYGT-UWVGGRQHSA-N 307.372 -0.208 30 20 DBED C=CCC[C@@H](CO)NS(=O)(=O)c1cnn(CC(=O)OC)c1 570529844 XYQOYGRXCZEVKF-JTQLQIEISA-N 317.367 -0.339 30 20 DBED N#CCNC(=O)CNC(=O)Cn1nnnc1-c1ccsc1 592632079 DPDCPWALNQKZNK-UHFFFAOYSA-N 305.323 -0.842 30 20 DBED Cc1cc(NC(=O)C(=O)NCC2(N)CCCC2)nn1CCC#N 595237846 CTANSGPLBMXOKO-UHFFFAOYSA-N 318.381 0.431 30 20 DBED N#Cc1cnnc(N2CCN(S(=O)(=O)c3cc[nH]n3)CC2)c1 596210859 RJRURIKWJVOVQZ-UHFFFAOYSA-N 319.350 -0.418 30 20 DBED CN(C)S(=O)(=O)NCCNC(=O)NCC(C)(C)CC#N 596614180 NMUGTTBKUSYXKM-UHFFFAOYSA-N 305.404 -0.379 30 20 DBED C=CCN(CCOC)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)OC 602397087 OLHKBSXDXLHYDI-QWRGUYRKSA-N 315.370 -0.103 30 20 DBED C[C@H](NC(=O)NC1CCN(CC#N)CC1)[C@H]1CN(C)CCO1 610899417 OVTPUVKZSFHJCU-GXTWGEPZSA-N 309.414 -0.007 30 20 DBED COC(=O)[C@]1(C)CCN(C(=O)C(=O)Nc2cnn(CC#N)c2)C1 746436954 YBNJUFSXYILCGQ-CQSZACIVSA-N 319.321 -0.243 30 20 DBED CN(C)S(=O)(=O)CC(=O)NCCNc1ncccc1C#N 751492952 XQOFKKXBRJTCET-UHFFFAOYSA-N 311.367 -0.627 30 20 DBED C#C[C@@H](NC(=O)CNS(=O)(=O)CCOCC)[C@H]1CCCO1 775346101 BIUYEUUWNPDNIH-VXGBXAGGSA-N 318.395 -0.761 30 20 DBED CNC(=O)NCCC(=O)OCc1cc(O)n2ncc(C#N)c2n1 795635938 AICXEJUQEGQKIV-UHFFFAOYSA-N 318.293 -0.331 30 20 DBED C=CCNC(=O)COC(=O)[C@](C)(O)Cn1c(C)cccc1=O 795773154 VZXGCBMARJFQBK-OAHLLOKOSA-N 308.334 -0.247 30 20 DBED C#CCC[C@@H](O)CNC(=O)C1=CC=CN2CCS(=O)(=O)N=C12 799072692 RKKDRAOHWVGNDC-LLVKDONJSA-N 323.374 -0.626 30 20 DBED C#C[C@H](NC(=O)N1CC[C@@H](S(C)(=O)=O)C1)[C@H]1CCCO1 799976401 XGGOXZVNWAJMTL-GRYCIOLGSA-N 300.380 -0.004 30 20 DBED C#CCOc1ccccc1NC(=O)C(=O)NCC(=O)NCC#N 807401469 PDAXRIQLGZKSIY-UHFFFAOYSA-N 314.301 -0.607 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](C)SC)CC1 831556862 WSWWOKNKMMAXDA-JTQLQIEISA-N 305.425 -0.650 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)CC(C)(F)F)CC1 831568294 FBDGCLVESRISMB-UHFFFAOYSA-N 309.338 -0.357 30 20 DBED C#CCn1cc(CNC(=O)[C@@](C)(O)Cn2ccccc2=O)cn1 834614634 LJSQVKVAKAHLLO-INIZCTEOSA-N 314.345 -0.255 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N1CCC(CC(N)=O)CC1 850710331 ZLRYLSJXKLOCFE-UHFFFAOYSA-N 323.393 -0.401 30 20 DBED COC(=O)[C@H]1CSCCN1S(=O)(=O)N(C)C[C@@H](C)C#N 885826430 ITHRCLYFKCWTLO-VHSXEESVSA-N 321.424 -0.087 30 20 DBED C#C[C@H](NC(=O)C(=O)N1C[C@@H]2CCNC[C@@H]2C1)[C@H]1CCCO1 911148623 YGVJNKRGWXVDQA-RFQIPJPRSA-N 305.378 -0.649 30 20 DBED C=CCN1CCC(NC(=O)N2CC(S(N)(=O)=O)C2)CC1 917137585 SFMKEHUNONAOHA-UHFFFAOYSA-N 302.400 -0.681 30 20 DBED C=CCS(=O)(=O)CCN1C(=O)N[C@@](CC)(COC)C1=O 927675043 VZNHZQIDQAJKFE-LBPRGKRZSA-N 304.368 -0.066 30 20 DBED CC(C)c1nnnn1CC(=O)N[C@@H]1CCN(C(=O)[C@@H](C)C#N)C1 940671699 YENCNBJAQMXFHH-WDEREUQCSA-N 319.369 -0.327 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](NC(=O)c2nc3ncccn3n2)C1 942254593 CRRRDNKUAQPWCU-VHSXEESVSA-N 313.321 -0.385 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CCN(C(=O)Cn3ncnn3)C2)C1 942363228 ICXPPQBRRFSJSG-LLVKDONJSA-N 304.354 -0.254 30 20 DBED C=CCN1CC[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)[C@@H](C)C1 944787134 BGENRODMOULRLO-NWDGAFQWSA-N 308.382 -0.107 30 20 DBED CCN1CCO[C@@H](C(=O)NC2CCN(C(=O)[C@@H](C)C#N)CC2)C1 948102560 OTTMWIHCPITRSW-GXTWGEPZSA-N 322.409 -0.026 30 20 DBED N#CCN1CCC2(CC1)CN(C(=O)[C@H]1C[C@H]1C(N)=O)CCO2 949191907 YDZGFMKVRRNDRN-NEPJUHHUSA-N 306.366 -0.675 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H]1CNC(=O)C1CS(=O)(=O)C1 956190784 RZTYFUSDUQMMQQ-ONGXEEELSA-N 313.379 -0.702 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2cnc3nccnc3c2)C1 958139737 OPMXBBWHXPVAEO-TZMCWYRMSA-N 311.345 -0.320 30 20 DBED CC#CCN1C[C@H](O)[C@H](CNC(=O)c2c(O)nnc(C)c2C)C1 958313103 JNJWINILSUBJED-OLZOCXBDSA-N 318.377 -0.155 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2CN(CCOC)C[C@@H]2O)nn1 958472543 VMBVZVMEVHOSIQ-YPMHNXCESA-N 309.370 -0.867 30 20 DBED CC[C@H](C(N)=O)N1C[C@@H]2C(NC(=O)c3c[nH]c(C#N)c3)[C@H]2C1 958618511 SHHXGSRYUFXIFG-SDDRHHMPSA-N 301.350 -0.190 30 20 DBED CC[C@H](C(N)=O)N1C[C@H]2[C@H](NC(=O)c3c[nH]c(C#N)c3)[C@H]2C1 958618512 SHHXGSRYUFXIFG-XQHKEYJVSA-N 301.350 -0.190 30 20 DBED CC#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cnn(C)c2OC)C1 958626698 PWVSYGGRCCLGBC-WCQYABFASA-N 306.366 -0.526 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2c(C)nn3cccnc23)C1 958692425 AFLIGIKNWBQVTG-CHWSQXEVSA-N 313.361 -0.307 30 20 DBED C#CCN1C[C@H]2[C@H](NC(=O)[C@@H]3CN4CC5CC4(CO3)C5)[C@H]2C1 961284289 SCQQYEANBJJDEC-AHRVAXILSA-N 301.390 -0.471 30 20 DBED C=C1CC(C)(C(=O)N2C[C@H](O)[C@H](NC(=O)Cc3cc[nH]n3)C2)C1 962012856 XXWHQGBHQBWKHN-OLZOCXBDSA-N 318.377 -0.004 30 20 DBED C=C(C)CN1C[C@@H]2C(NC(=O)c3cc(=O)n4[nH]cnc4n3)[C@H]2C1 962289735 RYSLXCZOUBGEEL-UWVGGRQHSA-N 314.349 -0.346 30 20 DBED C#CCCN1CC[C@@H](C)[C@@H](NC(=O)Cn2ncn(C)c2=O)C1 967032595 NGKLAUONKKLRCD-OLZOCXBDSA-N 305.382 -0.568 30 20 DBED N#CCN1CCO[C@@]2(CCN(C(=O)[C@@H]3CCC(=O)NC3)C2)C1 972444936 XKJPJYIIIXNXJR-DOMZBBRYSA-N 306.366 -0.661 30 20 DBED C=C1CC(C)(C(=O)N[C@H]2C[C@@H](NC(=O)Cn3ncnn3)C2)C1 974162420 SIXQXFYKAPMMMR-PHIMTYICSA-N 304.354 -0.207 30 20 DBED CC1(C)CN(CC#N)C[C@H]1NC(=O)[C@@H]1Cc2cncn2C(=O)N1 974878984 NAUWLPVZDMEKBE-NWDGAFQWSA-N 316.365 -0.284 30 20 DBED Cn1cc(C(=O)N[C@H]2CCC[C@H](NCC#N)C2)c(=O)n(C)c1=O 981360963 WXJWQOVCRXXIQW-QWRGUYRKSA-N 319.365 -0.762 30 20 DBED C#CCN1CCCC2(C1)CN(C(=O)c1cn(C)c(=O)cn1)C2 981901200 FBIYOYFAESXQSN-UHFFFAOYSA-N 300.362 -0.049 30 20 DBED C[C@@]12CN(CC#N)C[C@]1(C)CN(C(=O)C[C@H]1CC(=O)NC1=O)C2 982855578 SWZBCPTYQBGLDC-LYRGGWFBSA-N 318.377 -0.267 30 20 DBED CN1CCOC[C@@H]1C(=O)NC1CN(C(=O)c2c[nH]c(C#N)c2)C1 990921470 MRYDKUYTLFVUCC-CYBMUJFWSA-N 317.349 -0.842 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2COC(=O)N2)C1 991118769 DKBAIHSQHAUNJR-UTUOFQBUSA-N 323.349 -0.597 30 20 DBED C=CC(C)(C)C(=O)N1CC(NC(=O)CN2C(=O)CCC2=O)C1 991334639 KNFFPEVOLUWYFX-UHFFFAOYSA-N 307.350 -0.325 30 20 DBED C#CCN1CCC(C(=O)N[C@@H]2CCN(C(C)=O)C[C@H]2O)CC1 991544321 NEXAURXUIYLYGC-HUUCEWRRSA-N 307.394 -0.571 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)[C@@H]2CCc3nncn3CC2)C1 997010598 FMPJNHLTCJIYLX-WDEREUQCSA-N 316.365 -0.283 30 20 DBED COCC(=O)N1C[C@H]2C[C@H]3CN(C(=O)C#CC4CC4)C[C@@]3(C1)O2 1001628502 ZQERJTIUARWFBK-VBQJREDUSA-N 318.373 -0.126 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCC1CN(C(=O)c2cc[nH]n2)C1 1002828743 GLSCYROCPWXARU-AWEZNQCLSA-N 315.377 -0.305 30 20 DBED NC(=O)c1cc(C(=O)NCC2CN(C(=O)C#CC3CC3)C2)co1 1003290191 KEIUFMROMFKKKG-UHFFFAOYSA-N 315.329 -0.020 30 20 DBED C[C@@H]1CN(C(=O)C(N)=O)CC2(CCN(C(=O)[C@H](C)C#N)CC2)O1 1006778916 QSMMROFAJYATMI-GHMZBOCLSA-N 322.365 -0.760 30 20 DBED C=C1CCC(C(=O)N[C@@H](C)[C@@H]2CN(C(=O)C(N)=O)CCO2)CC1 1009748459 QJTIIWYYGJMEBI-AAEUAGOBSA-N 323.393 -0.050 30 20 DBED Cn1[nH]c(CN[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)nc1=O 1018739041 WOTMAOHUVKJWJF-JTQLQIEISA-N 315.337 -0.688 30 20 DBED C[C@H]1[C@@H](NC(=O)CN2CCOCC2=O)CCN1C(=O)[C@H](C)C#N 1020537293 QCHWIRHHHVAUSL-WOPDTQHZSA-N 322.365 -0.890 30 20 DBED C=CCCN1CC(NC(=O)Cn2nc3ccccn3c2=O)C1 1030766862 NELFGMZYTPZXIB-UHFFFAOYSA-N 301.350 -0.128 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CN(Cc2nc(=O)n(C)[nH]2)C1 1031087975 DRNRKSVCVYNDMT-AAEUAGOBSA-N 321.381 -0.610 30 20 DBED Cn1nnc(CN2CC(CNC(=O)c3cc(C#N)c[nH]3)C2)n1 1031603006 CJFDNQACENQTBT-UHFFFAOYSA-N 300.326 -0.728 30 20 DBED C=C(C)CN1CC[C@H](N(C)C(=O)c2cn(C)c(=O)n(C)c2=O)C1 1033474406 RFAPATHYVGWRPL-LBPRGKRZSA-N 320.393 -0.194 30 20 DBED C=CCN1CC[C@H](N(CC)C(=O)[C@H]2CCS(=O)(=O)N2)C1 1034044069 JNYVBQIUASREBC-NWDGAFQWSA-N 301.412 -0.213 30 20 DBED C#CCN1CCO[C@H](CNC(=O)[C@H]2CCn3cncc3C2)C1 1035414346 NVCLSCKJJZMJNO-DZGCQCFKSA-N 302.378 -0.104 30 20 DBED C#CCCN1CCO[C@@H](CNC(=O)[C@H]2CCN(C)C(=O)C2)C1 1035420868 SJRQUZAZEIBXHA-KBPBESRZSA-N 307.394 -0.305 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)c2cn(C)nc2COC)C1 1035422717 JUVPODWHMIWKDP-LBPRGKRZSA-N 306.366 -0.370 30 20 DBED C#CCCN1CCO[C@H](CNC(=O)[C@@H]2CCNC(=O)CC2)C1 1035460384 IRTSNYSZUVIJHX-UONOGXRCSA-N 307.394 -0.257 30 20 DBED C#CCN1CC2(CCN(C(=O)Cn3ccc(O)nc3=O)CC2)C1 1035743008 QJAKYNZJWHTMET-UHFFFAOYSA-N 316.361 -0.494 30 20 DBED C#CCN1CC[C@H]2CN(C(=O)CN3CCN(C)C(=O)C3)CC[C@H]21 1036752674 CXLWESAHVFDQDY-LSDHHAIUSA-N 318.421 -0.684 30 20 DBED C#CCCN1C[C@H]2C[C@H]1[C@H]2NC(=O)CN1C(=O)CC(C)(C)C1=O 1037420649 UCSZTMNOSBDQPM-XUJVJEKNSA-N 317.389 -0.016 30 20 DBED Cc1nnc(CC(=O)NC[C@@]2(O)CCN(C(=O)[C@@H](C)C#N)C2)o1 1039616521 SBJYAUGZDQXZAR-XPTSAGLGSA-N 321.337 -0.840 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)CC2(O)CCC2)C1 1039670518 UEWXSXFELFJJMI-XHDPSFHLSA-N 309.366 -0.469 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@@](O)(CNC(=O)C2(C(N)=O)CC2)C1 1040742284 PLUCIQAQOUQJSN-OAHLLOKOSA-N 323.393 -0.456 30 20 DBED Cc1cc[nH]c1C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1O 1041005907 KQLHNBUEHZBRLA-VXGBXAGGSA-N 312.333 -0.036 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)C2CCOCC2)C1 1041124955 QRMNEXUTYROQNX-UHFFFAOYSA-N 308.378 -0.238 30 20 DBED C=CCCCC(=O)N1CC(O)(CNC(=O)CS(C)(=O)=O)C1 1041802793 POLGSPJQUCJVJE-UHFFFAOYSA-N 318.395 -0.923 30 20 DBED C#CCCCCCC(=O)N1CC(O)(CNC(=O)CC(N)=O)C1 1042227256 SPNGBOWAPWTWPJ-UHFFFAOYSA-N 309.366 -0.865 30 20 DBED C#CCN1CC[C@@H]2CCN(C(=O)C3CC(=O)NC(=O)C3)C[C@H]21 1042268398 CSYFOHSMRNWTRQ-DGCLKSJQSA-N 303.362 -0.405 30 20 DBED N#Cc1ccc(C(=O)NCC2(O)CN(C(=O)C3CCC3)C2)[nH]1 1042608345 CDBONALMWYUCGU-UHFFFAOYSA-N 302.334 -0.010 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)[C@@H]2CC23CCC3)C1 1043039440 CMTNZXIFHBVEQH-OLZOCXBDSA-N 320.389 -0.096 30 20 DBED CCn1nnc(C)c1C(=O)NCC1(O)CN(C(=O)[C@H](C)C#N)C1 1043363264 OXUVSMWNFLKGSJ-SECBINFHSA-N 320.353 -0.931 30 20 DBED C=CCOCCCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(N)=O)C2 1047444816 WMAXXTBOOAFKLA-AVGNSLFASA-N 323.393 -0.050 30 20 DBED C=C(C)CN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC(=O)N(C)C2)C1 1047640444 PFMNCLNSSCOZLK-IHRRRGAJSA-N 309.410 -0.066 30 20 DBED C=C[C@@](C)(O)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCOC)C1 1047991390 JVJNLAAGMCCUKM-SLEUVZQESA-N 314.382 -0.620 30 20 DBED CCCN(C)CCC(=O)N(C)[C@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1O 1049144686 DGZNWVZIORJCAV-IHRRRGAJSA-N 324.425 -0.092 30 20 DBED CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)CN1CC(=O)NC1=O 1049789949 IUFZTLQTSPKNGG-CHWSQXEVSA-N 318.377 -0.373 30 20 DBED Cn1cc(C(=O)N2CCC[C@@H]3[C@H]2CCN3CC#N)n(C)c1=O 1049918612 RSJWCJMRTRLZMM-VXGBXAGGSA-N 303.366 -0.074 30 20 DBED CNC(=O)NCC(=O)N1CC[C@H]([C@H](C)NC(=O)C#CC2CC2)C1 1050934890 QKVXOKVIBHCLTR-AAEUAGOBSA-N 320.393 -0.318 30 20 DBED COCCn1nccc1C(=O)NC[C@H]1COCCN1CC#N 1050970518 HWFDSEPPLJHUGS-LBPRGKRZSA-N 307.354 -0.516 30 20 DBED Cn1nncc1CNC[C@@H]1CN(C(=O)C#CC2CC2)CCO1 1051609505 VGAATPBCTGKTAH-CQSZACIVSA-N 303.366 -0.455 30 20 DBED N#CCN1CCN([C@@H]2CCN(C(=O)[C@H]3CCCC(=O)N3)C2)CC1 1052041102 RUHPDCLSRMMXGF-ZIAGYGMSSA-N 319.409 -0.603 30 20 DBED N#CCN1CCN([C@@H]2CCN(C(=O)Cc3cnc[nH]3)C2)CC1 1052091068 BRRUFRFRGWELNY-CQSZACIVSA-N 302.382 -0.306 30 20 DBED C#CCCCC(=O)N1C[C@H](CNC(=O)Cn2cnnn2)[C@@H](C)C1 1052470251 BMOAUGKEGYCVCR-STQMWFEESA-N 318.381 -0.313 30 20 DBED N#CCN1CC2(C1)CN(C(=O)[C@H]1CC[C@@H](C(N)=O)C1)CCO2 1053430023 IJPPNEBHSMWXAC-NEPJUHHUSA-N 306.366 -0.675 30 20 DBED C#CCCN1CC2(CC[C@H](CNC(=O)[C@@H]3CCN(C)C3=O)O2)C1 1053642973 QPMQODAUWVEYNF-KGLIPLIRSA-N 319.405 -0.162 30 20 DBED C[C@H](C(=O)N[C@H]1COC2(C1)CN(CC#N)C2)N1C(=O)CCC1=O 1053821206 YFWCZOXDNLLFGP-GHMZBOCLSA-N 320.349 -0.993 30 20 DBED COCc1nc(C(=O)N[C@H]2COC3(C2)CN(CC#N)C3)co1 1053970046 DZNRTZRVBJCYDM-SNVBAGLBSA-N 306.322 -0.082 30 20 DBED C[C@H](C(=O)N[C@@H]1COC2(C1)CN(CC#N)C2)N1CCCCC1=O 1054016849 MEKAWNJWTKRKRA-OLZOCXBDSA-N 320.393 -0.130 30 20 DBED C#CCN1CC[C@@]2(CCCN(C(=O)CN3CCNC(=O)C3)C2)C1 1054175441 NIKCRHYUUZRXAQ-KRWDZBQOSA-N 318.421 -0.634 30 20 DBED C#CCCCC(=O)N1C[C@H]2CN(C(=O)Cn3ncnn3)C[C@H]2C1 1055310463 JSWZZNHKGLETQP-BETUJISGSA-N 316.365 -0.607 30 20 DBED C=CCCC(=O)N[C@]1(CO)CCCN(C(=O)Cn2ncnn2)C1 1055824567 WUXOHXBOEFEJTA-CQSZACIVSA-N 322.369 -0.891 30 20 DBED C[C@@H]1OCCO[C@@H]1C(=O)N1CCN(c2cncc(C#N)n2)CC1 1056068002 LYSMSPJBCNSGMJ-FZMZJTMJSA-N 317.349 -0.199 30 20 DBED C[C@H](C#N)C(=O)N[C@@]1(CO)CCCN(C(=O)c2cncn2C)C1 1056096855 LCQQZLXUHQBISJ-ABAIWWIYSA-N 319.365 -0.337 30 20 DBED C#CCOCCC(=O)NCCN(CCO)C(=O)c1cncnc1 1057407812 IRASNJHGXDCHNC-UHFFFAOYSA-N 320.349 -0.933 30 20 DBED Cc1cnn(CC(=O)NCCN(CCO)C(=O)C#CC2CC2)c1 1057531010 BSTRVJCZGNYOQK-UHFFFAOYSA-N 318.377 -0.458 30 20 DBED Cc1ccc(C(=O)NCCN(CCO)C(=O)C#CC2CC2)nn1 1057531508 RDNDNRZPMWGMGW-UHFFFAOYSA-N 316.361 -0.251 30 20 DBED CCN(CC)CC(=O)N(CCO)CCNC(=O)C#CC(C)C 1057658877 GKHNTVBGZVYPPL-UHFFFAOYSA-N 311.426 -0.075 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCN(CCO)C(=O)c1cnco1 1058193039 CRZYIBJTZMTRGZ-CQSZACIVSA-N 311.338 -0.448 30 20 DBED Cc1cc(=N[C@H]2CCN(C(=O)[C@@H]3CCNC3=O)C2)c(C#N)c[nH]1 1059020195 WWVWCVPCEWQAKL-QWHCGFSZSA-N 313.361 -0.168 30 20 DBED C[C@H](C#N)C(=O)NCC[C@H]1CCN(C(=O)Cn2cnnc2O)C1 1059506900 JXODTGMVZGPFTH-MNOVXSKESA-N 320.353 -0.502 30 20 DBED Cc1cc(C#N)nc(N[C@H]2C[C@@H](NC(=O)Cn3cnnn3)C2)n1 1059571220 YBPAIDCSBGYWPA-AOOOYVTPSA-N 313.325 -0.598 30 20 DBED CN1C[C@@H](C(=O)N[C@H]2C[C@@H](Nc3cnc(C#N)cn3)C2)NC1=O 1059781656 HFUPFJVVESILHV-NGZCFLSTSA-N 315.337 -0.569 30 20 DBED N#Cc1cnc(NC[C@H]2CCN(C(=O)[C@H]3CNC(=O)N3)C2)cn1 1060972731 QZBVRBFGCKFGAP-MWLCHTKSSA-N 315.337 -0.710 30 20 DBED N#CCSCC(=O)N1CCOC[C@@H]1CNC(=O)c1cc[nH]n1 1061328561 LMLWRHHEEIEOBF-JTQLQIEISA-N 323.378 -0.376 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)Cc1ccon1 1061451711 KZPTZGYUYWPBAI-JQWIXIFHSA-N 306.322 -0.280 30 20 DBED O=C(C#CC1CC1)NC[C@H]1COCCN1C(=O)c1cnns1 1061569552 HJJHNCYEFNFDCV-NSHDSACASA-N 320.374 -0.091 30 20 DBED Cn1ncc(C(=O)NC[C@@H]2CCN(c3cnc(C#N)cn3)C2)n1 1061622459 FKVOMUXEMOHVKH-JTQLQIEISA-N 312.337 -0.267 30 20 DBED C#CCCCC(=O)N1CCOC[C@H]1CNC(=O)[C@@H]1CCC(=O)N1 1061738711 SBGVYJZVHCZNRC-OLZOCXBDSA-N 321.377 -0.588 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)c1cnns1 1061845593 JJQQDHJSKKCULY-RKDXNWHRSA-N 309.351 -0.345 30 20 DBED C#CCNC(=O)CC(=O)NC1(CNC(=O)[C@@H](C)OC)CCC1 1062646327 WCOLOEYIEZPQQQ-LLVKDONJSA-N 309.366 -0.684 30 20 DBED N#Cc1ccc(N2CC[C@@H]3CN(C(=O)C(N)=O)CC[C@@H]32)nn1 1064032847 GYQABBNXQUJCEH-KOLCDFICSA-N 300.322 -0.739 30 20 DBED C=CCCC(=O)N1CCO[C@@H](CNC(=O)c2nnn(C)n2)C1 1064958997 FDHWCNJNTMILIP-JTQLQIEISA-N 308.342 -0.867 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCO[C@H](CNC(=O)c2cocn2)C1 1065153496 XJUQCTKOVJVYST-NWDGAFQWSA-N 321.333 -0.330 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCO[C@@H](CNC(=O)c2cnn[nH]2)C1 1065284521 MPWLQYVXSMFMNX-QWRGUYRKSA-N 323.353 -0.647 30 20 DBED CC#CCCCC(=O)N1CCO[C@@H](CNC(=O)c2cnn[nH]2)C1 1065481027 QAKIHMFARIWPGP-LBPRGKRZSA-N 319.365 -0.045 30 20 DBED N#Cc1ccc(N2C[C@H](CNC(=O)c3cnon3)[C@@H](O)C2)cn1 1067677248 BBVRZTBQGZTPPS-ZANVPECISA-N 314.305 -0.437 30 20 DBED Cn1nncc1C(=O)NCC1[C@H]2CN(c3ccnc(C#N)n3)C[C@H]12 1068171993 HRXAMJCEOCIQDL-GHMZBOCLSA-N 324.348 -0.411 30 20 DBED CC#CCCCC(=O)N1CCOC2(C1)CN(C(=O)C(N)=O)C2 1068435949 BJTVCDGIBHLRMT-UHFFFAOYSA-N 307.350 -0.895 30 20 DBED CC(C)C#CC(=O)N1CC2(C[C@H](NC(=O)c3nc[nH]n3)CO2)C1 1068954267 DGOMXHRRMAEXBC-NSHDSACASA-N 317.349 -0.436 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)C2=COCCO2)CCOCC1 1069968849 QSMCJCBUULQPHU-NSHDSACASA-N 323.349 -0.184 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)c2nc[nH]n2)CCOCC1 1070194025 CIIXDFPJVXRKKN-VIFPVBQESA-N 306.326 -0.640 30 20 DBED N#CCN1C[C@H]2C[C@@H]3CN(C(=O)CN4CCCC4)C[C@@]3(C1)O2 1070890858 OSXXHVCWVZHPLV-IIAWOOMASA-N 304.394 -0.093 30 20 DBED N#CCN1CCNC(=O)CCN(C(=O)Cc2ccon2)CC1 1070948420 LRTXOINYIPOSSO-UHFFFAOYSA-N 305.338 -0.609 30 20 DBED C=CCOCC(=O)N[C@@H]1CCCN(C(=O)C2(C(=O)NC)CC2)C1 1070972105 GYXJMZKDUFNVAF-GFCCVEGCSA-N 323.393 -0.178 30 20 DBED C[C@@H]1CN(C(=O)CSCC#N)C[C@@H]1NC(=O)c1cnn[nH]1 1071659504 XJDPGTNXMGAWNS-SCZZXKLOSA-N 308.367 -0.362 30 20 DBED C#CCCCC(=O)N1C[C@H](C)[C@@H](NC(=O)c2nnn(C)n2)C1 1071981361 MZZGIGZFHZPPQY-QWRGUYRKSA-N 304.354 -0.410 30 20 DBED C#CCOCCC(=O)N1C[C@@H](NC(=O)Cc2cc[nH]n2)[C@H](C)C1 1072098102 WLKXUDIEVJKIOB-TZMCWYRMSA-N 318.377 -0.045 30 20 DBED C=CCOCC(=O)N[C@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1C 1072389975 KEYPDGFSZRYFCA-PWSUYJOCSA-N 307.354 -0.406 30 20 DBED Cn1ccc(CC(=O)N2CC[C@H]3OCCN(CC#N)[C@@H]3C2)n1 1074239290 YHMUXLHMFZGBDC-ZIAGYGMSSA-N 303.366 -0.212 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)CN3C(=O)CCC3=O)C[C@@H]21 1074403234 SJUZSAWBKSLAFU-STQMWFEESA-N 319.361 -0.930 30 20 DBED CC(C)C#CC(=O)NCC[C@H](C)NC(=O)C[C@H]1CC(=O)NC1=O 1076414961 RTASPRVNBAKHCP-RYUDHWBXSA-N 321.377 -0.290 30 20 DBED C#CCO[C@@H](C)C(=O)NCC[C@H](C)NC(=O)Cn1cnnc1O 1076510148 FCYVWJXVIPRABX-QWRGUYRKSA-N 323.353 -0.967 30 20 DBED C=C(C)CN1C[C@@H]2CCN(C(=O)[C@@H]3CCS(=O)(=O)N3)[C@@H]2C1 1076582060 JGDIPWQDFUWQCE-RWMBFGLXSA-N 313.423 -0.213 30 20 DBED C=CCOCC(=O)N(C)[C@H]1CCCN(C(=O)CC(N)=O)CC1 1078882721 QFGBKZJPNGZIQA-LBPRGKRZSA-N 311.382 -0.096 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)C(C)(F)F)C[C@H]1O 1081344142 MRRJDBKCGVEGOH-VHSXEESVSA-N 306.309 -0.220 30 20 DBED C#CCCCCCC(=O)N1C[C@H](CNC(=O)CC(N)=O)[C@@H](O)C1 1081361042 XWWHFJHEUYVDDV-STQMWFEESA-N 323.393 -0.619 30 20 DBED CN(C)CCC(=O)N1C[C@H](CNC(=O)C#CC2CC2)[C@@H](O)C1 1081471627 PZPOVMFKWDKKFF-KBPBESRZSA-N 307.394 -0.713 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)Cc2ccc[nH]2)C1 1081525168 FADQIUJKXWFGIK-GXTWGEPZSA-N 321.377 -0.305 30 20 DBED C#Cc1cncc(C(=O)N2CCO[C@@H]3CN(CCO)C[C@@H]32)c1 1083188055 BEXNPMBGPBGSOF-LSDHHAIUSA-N 301.346 -0.420 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CCCN1C(C)=O 1083253594 XYWLQQCPHQSPTI-HRCADAONSA-N 319.405 -0.068 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)Cn3nc(C)n(C)c3=O)[C@@H]2C1 1084805786 GJTDGVZMXOMHEX-CHWSQXEVSA-N 303.366 -0.944 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CCN(CC(N)=O)[C@H]2C1 1085037702 XEJOTHZBAYAXNE-MQYQWHSLSA-N 307.394 -0.014 30 20 DBED N#CCN[C@@H]1CC[C@H](CNC(=O)[C@H]2CCc3nnc(O)n3C2)C1 1086736741 DKRNGWHMWYFJSG-SDDRHHMPSA-N 318.381 -0.056 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)[C@H]1CC 1087840437 XLMNHTUCXFJGNV-WCQYABFASA-N 320.397 -0.078 30 20 DBED Cn1c(O)ncc(C(=O)N2C[C@H]3CCN(CC#N)C[C@H]3C2)c1=O 1088062947 GDLUZHGSOMGTIH-MNOVXSKESA-N 317.349 -0.597 30 20 DBED N#CCN1C[C@H]2[C@H]3CC[C@@H]([C@H]2C1)N(C(=O)Cn1nccn1)C3 1089812028 KUOXIYGWTWCVKO-XUXIUFHCSA-N 300.366 -0.030 30 20 DBED C#CCN1CC[C@H](NC(=O)c2ccc3c(c2)NC(=O)C3)[C@@H](O)C1 1090278141 BCOMKGUTOLRVLP-ZFWWWQNUSA-N 313.357 -0.021 30 20 DBED C=CCCN1CC[C@@H](NC(=O)CC2CS(=O)(=O)C2)[C@H](O)C1 1090372060 PJDMZMQYNLBIPK-CHWSQXEVSA-N 316.423 -0.451 30 20 DBED CC[C@H](OC)C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1O 1090374027 RVYXHPGIWQXACV-UTUOFQBUSA-N 305.338 -0.561 30 20 DBED CS[C@@H](C)C(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1O 1090386374 WKGGESZBZQRPRW-JMJZKYOTSA-N 307.379 -0.235 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CN(c2nc(C)ccc2C#N)C[C@H]1O 1090403193 RSHUDKPOPKSLBD-VXGBXAGGSA-N 317.349 -0.937 30 20 DBED C=CCCN1CC[C@H](NC(=O)c2cn(C)c(=O)cn2)[C@H](O)C1 1090446345 QXTUZNUPOLCMKT-WCQYABFASA-N 306.366 -0.479 30 20 DBED C#CCN1CC[C@@H](NC(=O)Cn2nnc3c2CCCC3)[C@H](O)C1 1090573357 LXDUSUNFVOMDQB-UKRRQHHQSA-N 317.393 -0.659 30 20 DBED N#CCN1CC[C@H](NC(=O)Cn2nnc3c2CCCC3)[C@@H](O)C1 1090574720 WLEZVCAKISNRGS-JSGCOSHPSA-N 318.381 -0.768 30 20 DBED CN(C)CCn1cc(C(=O)N[C@H]2CCN(CC#N)C[C@@H]2O)cn1 1090638978 UCDYNDNBQXUMTJ-KBPBESRZSA-N 320.397 -0.867 30 20 DBED C#CCN1CC[C@H](NC(=O)c2ccc(NC(N)=O)cc2)[C@@H](O)C1 1090783707 NETXRLJTTREGFP-KBPBESRZSA-N 316.361 -0.025 30 20 DBED C=CCN1CC[C@H](NC(=O)c2ccc(C(N)=O)cn2)[C@@H](O)C1 1090842728 DQRJQIJMVTUGQZ-AAEUAGOBSA-N 304.350 -0.469 30 20 DBED COC(=O)c1nc(=NCCNC(=O)c2cc(C#N)c[nH]2)cc[nH]1 1093564531 LJMVEVLMLWUPKH-UHFFFAOYSA-N 314.305 -0.273 30 20 DBED CN1CC[C@H](C(=O)NCCNc2ccc(C#N)nc2)S1(=O)=O 1094194836 LAICNJVKNYPPPK-GFCCVEGCSA-N 323.378 -0.485 30 20 DBED CC#CCN1CC(n2cc(CNC(=O)c3cnn(C)n3)nn2)C1 1094327035 ZMPWZTOEWBAUJO-UHFFFAOYSA-N 314.353 -0.783 30 20 DBED N#Cc1nc(=NCCCNC(=O)c2nc3ncccn3n2)cc[nH]1 1094536594 JCISZRZOUDGWSQ-UHFFFAOYSA-N 323.320 -0.560 30 20 DBED N#CCN1CC(N2C[C@H](NC(=O)c3cnsn3)CC2=O)C1 1094706386 ATPPQUGBNVKMNS-MRVPVSSYSA-N 306.351 -0.923 30 20 DBED C=CCCN1CC(N2C[C@@H](NC(=O)c3cn(C)nn3)CC2=O)C1 1094729752 JPWKTWRBORSQGQ-NSHDSACASA-N 318.381 -0.594 30 20 DBED CCc1oncc1C(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1 1094792428 LZYOOXPCEXIEJC-SNVBAGLBSA-N 317.349 -0.225 30 20 DBED C[C@@H](C(=O)NCCCN=c1cc[nH]cc1C#N)S(C)(=O)=O 1094877168 OFBLKGAKDGFYPE-JTQLQIEISA-N 310.379 -0.274 30 20 DBED CNC(=O)NCC(=O)N1CC[C@H](N(C)c2ncccc2C#N)C1 1095156639 MPCBCUXJYHBSQM-LBPRGKRZSA-N 316.365 -0.081 30 20 DBED CN(CCCNC(=O)CS(C)(=O)=O)c1cncc(C#N)n1 1095506228 WLTDQPOZJADDTM-UHFFFAOYSA-N 311.367 -0.665 30 20 DBED N#Cc1c[nH]ccc1=N[C@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)C1CC1 1096809467 QZTZMFUEUPRPOR-MBNYWOFBSA-N 313.361 -0.197 30 20 DBED CCC(=O)N[C@@H](C)C(=O)N1CC[C@H](N=c2cc[nH]c(C#N)n2)C1 1096980995 RXQUGBPWCITZHV-QWRGUYRKSA-N 316.365 -0.302 30 20 DBED C[C@@H](CNC(=O)CSCC#N)Nc1ccc2nnnn2n1 1097675943 IDYIHKDRCYPABC-QMMMGPOBSA-N 306.355 -0.307 30 20 DBED CCN1CCO[C@H](C(=O)NC[C@@H](C)Nc2nccnc2C#N)C1 1097875227 RHONPHOXGRWAFG-YPMHNXCESA-N 318.381 -0.014 30 20 DBED C[C@H](CNC(=O)[C@@H]1CCCS1(=O)=O)N=c1cc[nH]c(C#N)n1 1097882521 DGBRVEHGKWWSLU-ZJUUUORDSA-N 323.378 -0.736 30 20 DBED C=CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cn1nc(C)n(C)c1=O 1098303268 XPTUPTMADURRRY-UPJWGTAASA-N 305.382 -0.202 30 20 DBED C[C@@H](CNC(=O)C[C@@H]1CCCC(=O)N1)N=c1cc[nH]c(C#N)n1 1098410558 BEDNUYFNJLXQEX-QWRGUYRKSA-N 316.365 -0.254 30 20 DBED N#CCSCC(=O)N[C@H]1CCN(Cc2ncccn2)C[C@H]1O 1099688798 AVAPEOHHQCPKSU-NWDGAFQWSA-N 321.406 -0.215 30 20 DBED CC(C)(C)C#CC(=O)N[C@@H]1CCN(CCOCCO)C[C@@H]1O 1099829817 IWJREVKSRKGQRP-KGLIPLIRSA-N 312.410 -0.404 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCN(Cc2csnn2)C[C@@H]1O 1099832321 FXWRPOHLYNFLEZ-OLZOCXBDSA-N 324.406 -0.371 30 20 DBED COCC#CCN1CC[C@H](NC(=O)C23CCN(CC2)C3)[C@H](O)C1 1100074422 NHAYENJLWRTISJ-LSDHHAIUSA-N 321.421 -0.717 30 20 DBED CC#CCNC1CC(CNC(=O)CCCS(N)(=O)=O)C1 1100624304 CZGSVKAOYXOWID-UHFFFAOYSA-N 301.412 -0.437 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NCC1CC(NCC(N)=O)C1 1100733285 SMQYRFHDBAAVLM-BPCQOVAHSA-N 310.398 -0.573 30 20 DBED CCN(CCNC(=O)[C@H]1CCC(=O)NC1)c1cncc(C#N)n1 1100765324 DJJOZFZTKHHBSW-NSHDSACASA-N 316.365 -0.183 30 20 DBED N#Cc1cncc(N2CCC[C@H]2CNC(=O)Cn2ncnn2)n1 1100868501 YKDHFOPUCGIVMJ-NSHDSACASA-N 313.325 -0.880 30 20 DBED CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CCN(c2nccnc2C#N)C1 1100921776 MPQGXTXGOPSHPX-JQWIXIFHSA-N 316.365 -0.185 30 20 DBED CC(=O)NCC(=O)NC[C@@H]1CCN(c2cncc(C#N)n2)C1 1100926195 QUZHYHNDMDFYGY-NSHDSACASA-N 302.338 -0.573 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CCN(c2nccn3nnnc23)C1 1100949393 AOXYUGMZMPWKOD-ZJUUUORDSA-N 300.326 -0.379 30 20 DBED CNC(=O)NCC(=O)N1C[C@H]2CN(CC#CCOC)C[C@@]2(C)C1 1101259594 AQOQCROEQZBSKA-CJNGLKHVSA-N 322.409 -0.655 30 20 DBED CC(=O)N1CC[C@@H](C(=O)N(C)CCN=c2cc[nH]c(C#N)n2)C1 1101714076 JPFYCEFOXSRWQU-GFCCVEGCSA-N 316.365 -0.491 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)CCNc1ncnc2c1nnn2C 1101781443 QGSXMTSPVDOQCZ-JTQLQIEISA-N 317.353 -0.333 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1CNC(=O)c1cnco1 1102202773 LUUFXEVOBNDFGC-GHMZBOCLSA-N 305.338 -0.388 30 20 DBED C#CCCN1C[C@@H](C)[C@H](CNC(=O)Cn2nc(C)n(C)c2=O)C1 1102539582 GQDMWFXWFJHUPO-TZMCWYRMSA-N 319.409 -0.402 30 20 DBED COC[C@@H](C)C(=O)NC[C@H]1CN(c2nccnc2C#N)CCO1 1104309747 HIHCPMDQUQAECD-NEPJUHHUSA-N 319.365 -0.048 30 20 DBED C[C@@H](CNc1nccnc1C#N)N(C)C(=O)[C@H]1COC(=O)N1 1104545590 RLDQVAWWVPHXJL-WCBMZHEXSA-N 304.310 -0.285 30 20 DBED C#CCNCc1cn(C2CN(C(=O)C[C@@H]3CCN(C)C3)C2)nn1 1105361026 NQXXBRIKLRZQGN-ZDUSSCGKSA-N 316.409 -0.274 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)C[C@@H]2CCCO2)nn1 1105718271 KHJHCGYPWPPOSJ-RYUDHWBXSA-N 305.338 -0.194 30 20 DBED Cc1cc(=NC[C@H](O)CNC(=O)Cn2cccn2)c(C#N)c[nH]1 1105722125 KADWUWSSDDKQCE-ZDUSSCGKSA-N 314.349 -0.531 30 20 DBED Cn1cnc2c(NC[C@@H](O)CNC(=O)C#CC3CC3)ncnc21 1105825579 JWOYMRCFUMBYEK-NSHDSACASA-N 314.349 -0.334 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)C[C@@H]2CCC(=O)N2)cn1 1105894872 WQKOBZIFJFQWEW-GWCFXTLKSA-N 317.349 -0.489 30 20 DBED CC[C@H](OC)C(=O)N1C[C@@H](C)[C@H](CNCC(=O)NCC#N)C1 1105906267 JSNIWMZYVOVSBQ-UPJWGTAASA-N 310.398 -0.265 30 20 DBED Cc1nonc1CC(=O)NC[C@H](O)CN=c1cc[nH]cc1C#N 1105947548 HFEXSDMZSJSQGO-LLVKDONJSA-N 316.321 -0.802 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H](O)CNc1ncnc2c1CCC2 1105971101 SQFGBHLUWPJVHN-NWDGAFQWSA-N 318.377 -0.107 30 20 DBED C=C(C)CCC(=O)NC[C@H](O)CN=c1cc[nH]c(C(=O)OC)n1 1105988778 XPVXTKWJZWERHM-LLVKDONJSA-N 322.365 -0.070 30 20 DBED CCc1n[nH]cc1C(=O)NC[C@@H](O)CN=c1cc[nH]cc1C#N 1106163322 PBTWDMMNFFJCJP-NSHDSACASA-N 314.349 -0.137 30 20 DBED CCN(CCN=c1cc(C)[nH]cc1C#N)C(=O)[C@@H]1CNC(=O)N1 1106927888 ATKDENVISPNGNL-ZDUSSCGKSA-N 316.365 -0.375 30 20 DBED C=CCCN1CC(n2cc(CNC(=O)COCCOC)nn2)C1 1107150023 YFRWWXSXBCAXKW-UHFFFAOYSA-N 323.397 -0.010 30 20 DBED C[C@H](C#N)C(=O)NC[C@]1(C)CN(Cc2nc(O)n[nH]2)CCO1 1107821095 JFQUOQXWBATPHG-NOZJJQNGSA-N 308.342 -0.623 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)C(C)(C)NC(C)=O)CC2=O)C1 1108579815 CJTXKZZFDRCVIS-GFCCVEGCSA-N 322.409 -0.512 30 20 DBED CNC(=O)CC(=O)N1C[C@H]2C[C@H](NCC#CCOC)C[C@H]1C2 1108668971 DTKZHRQMPSXWKO-MELADBBJSA-N 307.394 -0.259 30 20 DBED C[C@H](CN(C)c1ccnc(C#N)n1)NC(=O)c1cnnn1C 1108921625 OFLLEASLMHOIPW-SECBINFHSA-N 300.326 -0.269 30 20 DBED Cc1cc(C#N)nc(N(C)C[C@H](C)NC(=O)Cn2ncnn2)n1 1109117354 XBTFPDZGQNCZKA-JTQLQIEISA-N 315.341 -0.716 30 20 DBED C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2[C@@H](C)C(=O)NC(N)=O 1110385380 YCJVHNMTMDGJDY-QCNOEVLYSA-N 324.381 -0.506 30 20 DBED COC1CC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCC#N)C1 1110697899 QBMIMCLXBIXILE-ZFKITPQFSA-N 320.393 -0.227 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)c2cnns2)CC1 1112649545 ICKZCTAXODYHHS-JTQLQIEISA-N 309.395 -0.013 30 20 DBED C=CCCC(=O)NC[C@H]1CN(c2ccc3nnnn3n2)C[C@@H]1O 1112715715 PZACWLLFBQLCNA-QWRGUYRKSA-N 317.353 -0.601 30 20 DBED C[C@@H](CNC(=O)c1nccnc1N)N(C)c1cncc(C#N)n1 1113525821 GQMGCDBRQWGYRQ-VIFPVBQESA-N 312.337 -0.025 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)[C@@H]3CN(C)CCO3)[C@@H]2C1 1114090328 BPUHDCAEDCTYFA-MCIONIFRSA-N 307.394 -0.987 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)c3cc(OC)no3)[C@H]2C1 1114155667 QKPBWQQDUUFYET-YABSGUDNSA-N 305.334 -0.007 30 20 DBED N#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3csc(O)n3)[C@H]2C1 1114712310 JCHSAMHCYZTKRO-YUMQZZPRSA-N 321.362 -0.852 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)CCN3CCOCC3)[C@H]2C1 1114979975 IGQWTQVUBDLJPD-QLPKVWCKSA-N 321.421 -0.595 30 20 DBED C=C(C)CCN1C[C@H]2C(NC(=O)CS(=O)(=O)N(C)C)[C@@H]2C1 1115188934 UJQYWXZCQWCJJN-VXGBXAGGSA-N 315.439 -0.110 30 20 DBED CS(=O)(=O)C1(C(=O)OCC(=O)NC2(C#N)CCC2)CC1 1117330020 WSTVWXKRHDDNBJ-UHFFFAOYSA-N 300.336 -0.331 30 20 DBED N#Cc1cnc(N[C@@H](CO)CNC(=O)c2cnsn2)cn1 1121092708 RLGTTXSJOKMQSA-MRVPVSSYSA-N 305.323 -0.597 30 20 DBED COC(=O)NCC(=O)NC[C@@H](CO)Nc1ncccc1C#N 1121112830 GFNIWYPPMKGLHD-JTQLQIEISA-N 307.310 -0.802 30 20 DBED COC[C@H](C)C(=O)NC[C@@H](CO)Nc1nc(C)cc(C#N)n1 1121324569 PCEKQLCHJGXMRG-CABZTGNLSA-N 307.354 -0.172 30 20 DBED N#CCNC(=O)CNC1CC2(C1)CC(NC(=O)c1cnon1)C2 1121924364 WVBZIAVNOKQGBD-UHFFFAOYSA-N 318.337 -0.660 30 20 DBED N#Cc1nc(=N[C@@H](CO)CNC(=O)CCOCC2CC2)cc[nH]1 1122113054 RLAQITPZSVNBIF-GFCCVEGCSA-N 319.365 -0.524 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]cc1C#N)C(=O)c1cnnn1C 1124272919 XUKHBDWDPQPSRE-NSHDSACASA-N 315.337 -0.951 30 20 DBED C=CCOCC(=O)NCCNC[C@@H](O)CO[C@H](C)COC 1124767913 OJQJDQQWVACRFM-CHWSQXEVSA-N 304.387 -0.693 30 20 DBED Cc1cc(=O)n2nc(CNCCNC(=O)[C@@H](C)C#N)sc2n1 1124908364 JAMMSTCJOMKOOW-QMMMGPOBSA-N 320.378 -0.175 30 20 DBED N#Cc1ccc(C(=O)NCCNCCCN2C(=O)CNC2=O)[nH]1 1125814279 SAXHSRYBWXPZRO-UHFFFAOYSA-N 318.337 -0.852 30 20 DBED C#CCN1CCOC[C@@H]1c1n[nH]c(CNC(=O)[C@H](C)COC)n1 1130835029 IZWZKVIWMPKLPL-VXGBXAGGSA-N 321.381 -0.290 30 20 DBED COc1cc(C(=O)NCCNCC(=O)NCC#N)cc(OC)n1 1130837988 OEGKKZHUQNXLCF-UHFFFAOYSA-N 321.337 -0.942 30 20 DBED CC(C)C#CC(=O)N1C[C@H]2C[C@@H]3CN([C@H](C)C(N)=O)C[C@]2(C1)O3 1131230352 JBWSHNBIMTWGTI-VMUDFCTBSA-N 319.405 -0.179 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cc(O)nc(CC)c1 1131413006 MBRQWNYFNJTRCE-UHFFFAOYSA-N 304.350 -0.582 30 20 DBED C#CCNC(=O)CNCCNC(=O)C(C)(C)COCC(F)F 1131774716 UJTPSETYROOYKM-UHFFFAOYSA-N 319.352 -0.251 30 20 DBED CC#CCCCC(=O)NCCNCc1cc(=O)n(C)c(=O)n1C 1132601796 NPQXRQSCDWHCDG-UHFFFAOYSA-N 320.393 -0.517 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)NCCNCc1nncn1C 1134812487 LZOQQAGLSKRXBE-GFCCVEGCSA-N 308.386 -0.508 30 20 DBED C#Cc1cccc(NC(=O)CNCCNC(=O)c2nc[nH]n2)c1 1135520863 PSUHVYCMIHKNIQ-UHFFFAOYSA-N 312.333 -0.256 30 20 DBED COCC#CCN1CCCO[C@H](CNC(=O)CCN(C)C)C1 1150240298 DZVFSMDPKFCGGE-OAHLLOKOSA-N 311.426 -0.205 30 20 DBED C=CCO[C@H](C)C(=O)NCCNCC(=O)N1CCO[C@@H](C)C1 1153148710 JVXGITFFYGAMTD-QWHCGFSZSA-N 313.398 -0.469 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CC12CCOCC2 1153865578 KBRMJYUZTLCWND-STQMWFEESA-N 307.394 -0.353 30 20 DBED CC(C)C#CC(=O)NCCCNCC(=O)N1CCO[C@@H](C)C1 1157638760 MXRXCQUCKRFUDV-AWEZNQCLSA-N 309.410 -0.011 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)[C@@H]1CCN(C)C(=O)C1 1161155913 LJQOLNVJUKRBTR-QWHCGFSZSA-N 322.409 -0.911 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCCCNC[C@@H](O)Cn1cccn1 1166993612 OYCHJXIXGAVHGW-KFWWJZLASA-N 322.409 -0.069 30 20 DBED COCC#CCNCC1(CCNC(=O)Cc2nc[nH]n2)CC1 1167684272 AJSSVORLCKJUGZ-UHFFFAOYSA-N 305.382 -0.127 30 20 DBED C=CCNC(=O)CNCCCNC(=O)c1ccc(C(N)=O)s1 1168295510 CGDIQJXNNOKKMN-UHFFFAOYSA-N 324.406 -0.141 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)c1cccc(OC)n1 1169958984 PRWMMNMMMFOJBQ-LBPRGKRZSA-N 318.377 -0.062 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)CN2CCC[C@H]2C)[C@H]1C 1179534217 BDSABSYEXZWMAP-ILXRZTDVSA-N 320.437 -0.201 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)Cc2cnc[nH]2)[C@H]1C 1179617721 MTYNUAZKLXHSFH-OBJOEFQTSA-N 317.393 -0.331 30 20 DBED C[C@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)Cn1ccnc1 1180280349 XNQIPMWXSUYSNJ-RYUDHWBXSA-N 304.354 -0.898 30 20 DBED C[C@@H]1CN(C(=O)CCNS(C)(=O)=O)C[C@@]1(C)CNCC#N 1181658155 FRPSQRWBDVRPEW-DGCLKSJQSA-N 316.427 -0.477 30 20 DBED CC(C)(C)C#CC(=O)N1CC[C@@H](NCCN2C(=O)CNC2=O)C1 1182459507 YOVGNTWZWZRNGG-GFCCVEGCSA-N 320.393 -0.222 30 20 DBED C[C@@H]1[C@H](C(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)CCN1C 1182677009 VNGQUUJTOAGMRK-JHJVBQTASA-N 307.398 -0.843 30 20 DBED C=CCNC[C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C[C@@H]1C 1184924751 WBEAAWWYLFWEHE-KBPBESRZSA-N 308.426 -0.322 30 20 DBED CC(=O)N1CCC[C@H](n2cc(CNCC(=O)NCC#N)nn2)C1 1185856277 OYNMNHYMLUYUGG-ZDUSSCGKSA-N 319.369 -0.809 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 1189388393 FJGAQDJKNDRVNL-ZIAGYGMSSA-N 308.426 -0.085 30 20 DBED C=C(C)CN(CC)C(=O)CN(C)[C@H]1CCN(C(=O)CC(N)=O)C1 1189490839 YUAGRPOXKJHYHF-ZDUSSCGKSA-N 324.425 -0.181 30 20 DBED CN(CC(=O)NC(N)=O)[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 1189729446 YPHDVFQLOWZZFX-NSHDSACASA-N 318.337 -0.772 30 20 DBED C=CCOCC(=O)N[C@@H]1CN([C@H](C)c2nnc(C)o2)C[C@H]1O 1191777071 FLXQXUSSBGTGHC-YUSALJHKSA-N 310.354 -0.197 30 20 DBED CC#CCN(C)[C@@H]1CCN(C(=O)[C@@H]2COCCN2C(C)=O)C1 1194126324 YQGGAUPZJUOKPR-CABCVRRESA-N 307.394 -0.210 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)c2cnco2)C1 1195090749 PEZKUQZMWFQKCU-HBNTYKKESA-N 308.338 -0.860 30 20 DBED C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CN(C)C(=O)N2)C1 1195278239 QVLSFJANNVCHDQ-MGPQQGTHSA-N 324.425 -0.082 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(Cc2csnn2)C[C@H]1O 1199293047 ZOHBEVFKXUMQDA-VXGBXAGGSA-N 312.395 -0.208 30 20 DBED CN(CC(=O)N[C@H]1C[C@H](NCC#N)C12CCC2)S(C)(=O)=O 1202993941 ABPAHSWTCRLFRC-QWRGUYRKSA-N 314.411 -0.582 30 20 DBED C#CCN[C@H]1C[C@H]2CC[C@H]1N(C(=O)CCNC(=O)COC)C2 1204417102 BAHGXNGOJUQDNP-HZSPNIEDSA-N 307.394 -0.259 30 20 DBED COCC#CCN[C@@H]1CCCN(C(=O)[C@@H]2COCCN2C)C1 1207829366 OQFJJKZLKVJNOV-CABCVRRESA-N 309.410 -0.453 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2CCN(C)[C@@H]2C)C1 1208070603 NXVGUPUKLRSWSR-RBSFLKMASA-N 320.437 -0.343 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)c2cnn(C)n2)[C@H](C)C1 1209446808 NOKANJIWRBFNRG-NTZNESFSSA-N 318.381 -0.997 30 20 DBED CC[C@H](NC(C)=O)C(=O)N1CCC[C@H](NCC(=O)NCC#N)C1 1209743337 CBGLUHHOKSRZON-STQMWFEESA-N 323.397 -0.879 30 20 DBED C=CCN1C[C@@H](NC(=O)CCCN2C(=O)CNC2=O)[C@H](C)C1 1210910057 JQIQXXARXBVGQE-VXGBXAGGSA-N 308.382 -0.059 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)/C=C/C2CC2)[C@H](OC)C1 1212090428 TWFYELUPHPGWKN-MFTBITAVSA-N 319.405 -0.094 30 20 DBED C=C(C)CN1C[C@@H](NC(=O)CN(C)S(C)(=O)=O)[C@H](OC)C1 1212359379 ZXEGSYYMKQJKDF-VXGBXAGGSA-N 319.427 -0.731 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](NCCN2C(=O)CNC2=O)[C@H](C)C1 1214578728 ZEOJVJSRLMVREH-CHWSQXEVSA-N 320.393 -0.366 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)Cc2cnoc2)C[C@H]1C 1215385032 JMYRNOQWMSSCTA-MBNYWOFBSA-N 318.377 -0.209 30 20 DBED CC#CCN[C@@H]1CN(C(=O)CN2C(=O)NC(C)(C)C2=O)C[C@H]1C 1216675041 CHNQPQOCKUCHLX-VXGBXAGGSA-N 320.393 -0.223 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(Cc2cncn2C)C[C@@H]1O 1219526763 BCKMSYKNGLEWMD-VNHYZAJKSA-N 308.382 -0.592 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2cc(C)n(C)n2)C[C@@H]1O 1219605264 NOAIOKSULSHNMC-CFVMTHIKSA-N 320.393 -0.572 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)Cc2cc(C)nn2C)C1 1219996303 NAXLOBQDWKDEAC-CABCVRRESA-N 320.393 -0.918 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)CCc2cn[nH]c2)C1 1220522556 YSASFGINAXIBHV-KGLIPLIRSA-N 308.382 -0.294 30 20 DBED C=C[C@](C)(O)CC(=O)N1C[C@H]2CCN(Cc3nnn(C)n3)C[C@H]21 1221518079 SNUQNJRIRILISW-JMSVASOKSA-N 320.397 -0.430 30 20 DBED C=CCO[C@H](C)C(=O)NC1CCN(CC(=O)NCC#N)CC1 1230407748 XHCDNYCBJREXBU-GFCCVEGCSA-N 308.382 -0.202 30 20 DBED N#CCN1CCS(=O)(=O)[C@@H](CCNC(=O)c2ccccn2)C1 1230411032 WQONFYNVUZHUOA-LBPRGKRZSA-N 322.390 -0.176 30 20 DBED C#CCN1CCS(=O)(=O)[C@@H](CCNC(=O)c2ccc[nH]2)C1 1230416646 NUSLHZUAUXYHDJ-LBPRGKRZSA-N 309.391 -0.133 30 20 DBED C=CCNC(=O)[C@@H](C)N(C)CCCNC(=O)CS(C)(=O)=O 1234968644 ZQPZMFBPBPCLTF-LLVKDONJSA-N 319.427 -0.840 30 20 DBED N#Cc1ncn(CCNC(=O)c2cc(Cn3cccn3)on2)n1 1261245087 NYGVNJZDJYMEFG-UHFFFAOYSA-N 312.293 -0.187 30 20 DBED COC[C@H](NC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1)C(C)C 1261924743 DHJHBDJHNIOVJP-KGLIPLIRSA-N 322.409 -0.028 30 20 DBED CNCCCc1[nH]nc(NC(=O)CN2CCN(C)CC2)c1C#N 1319759571 ANHQXHRCRNFPEC-UHFFFAOYSA-N 319.413 -0.381 30 20 DBED CCN(CCO)CCNC(=O)CCN/C(O)=C1\N=CC=CC1=O 1321271573 WBJSTGWBPLRAHD-CCEZHUSRSA-N 324.381 -0.667 30 20 DBED C[C@@]1(C#N)CCCN(C(=O)C(=O)Nc2cnn(CC(N)=O)c2)C1 1323741228 CXZZWVKKZABHTB-AWEZNQCLSA-N 318.337 -0.541 30 20 DBED C=CCCn1cc(C(=O)N2CCNC[C@H]2C(=O)OCC)nn1 1326275906 OJJWULSMNVMOBI-LBPRGKRZSA-N 307.354 -0.169 30 20 DBED N#C[C@]1(F)CCN(C(=O)C(=O)N2CC[C@@H]3NC(=O)CC[C@@H]3C2)C1 1329703037 IXPFYCVVAHDMSA-JRPNMDOOSA-N 322.340 -0.422 30 20 DBED C=CCN(C)c1nnnn1C[C@@H]1CCN(S(C)(=O)=O)C1 1332535577 FNKRYFZLCUYYMN-SNVBAGLBSA-N 300.388 -0.423 30 20 DBED C=CCS(=O)(=O)CCn1nnnc1N1CCOC[C@H](C)C1 1335896411 QRUBZKDXLDVDPZ-LLVKDONJSA-N 315.399 -0.253 30 20 DBED CO[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@](O)(CC#N)C2)C1(C)C 1345879663 KQSCWFWLMXYYSF-FIXISWKDSA-N 309.366 -0.207 30 20 DBED Cc1cc(NC(=O)C(=O)NN2CCCNC2=O)ncc1C#N 1346458519 XDNMQSJMMAGFHH-UHFFFAOYSA-N 302.294 -0.353 30 20 DBED N#CCN1CCC(NC(=O)CCN2C(=O)CCNC2=S)CC1 1347902245 SCUAHLVQJNLTPJ-UHFFFAOYSA-N 323.422 -0.413 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)NCc1nnc(C)n1C 1349209724 KFLSRNJCZJROEN-NSHDSACASA-N 307.354 -0.716 30 20 DBED C#CCSCCn1nnnc1N(C)CC(=O)N1CCOCC1 1355606639 ZBEAIZOHMJSKQV-UHFFFAOYSA-N 324.410 -0.666 30 20 DBED N#Cc1cn(CC(=O)N[C@@H](CO)C2CCCC2)c(=O)nc1O 1362797573 KDXGJNSSDYJWDQ-NSHDSACASA-N 306.322 -0.512 30 20 DBED C[C@@H]1CN(C(=O)CN(CCNC(=O)[C@H](C)C#N)C2CC2)CCO1 1366736698 CCMVNURSMWNJQA-CHWSQXEVSA-N 322.409 -0.026 30 20 DBED C[C@@H](CNCC(=O)Nc1nncs1)CNC(=O)[C@H](C)C#N 1373991483 VXGUQJBLSFQJPX-DTWKUNHWSA-N 310.383 -0.022 30 20 DBED CNC(=O)NCC(=O)N[C@@H](CNC(=O)[C@@H](C)C#N)CC(C)C 1375828206 HRISWOBCKVCRHM-WDEREUQCSA-N 311.386 -0.278 30 20 DBED CN(C[C@@H](O)CN[C@@H]1CCN(C)C1=O)C(=O)c1cc(C#N)c[nH]1 1379772074 XCXISQJRLFNZHF-NWDGAFQWSA-N 319.365 -0.860 30 20 DBED C[C@@H](CNC(=O)[C@@H](C)C#N)NC(=O)CCCS(C)(=O)=O 1386454775 CPIUABRBJMAWJM-UWVGGRQHSA-N 303.384 -0.408 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1c(Cl)cnn1C 1399839161 KUPZNQXFHONAOF-JGVFFNPUSA-N 313.745 -0.560 30 20 DBED C[C@H](CNC(=O)[C@H]1CCCC(=O)N1)NC(=O)c1ccc(C#N)[nH]1 1399955605 RRZFOOUGCPKUJI-MWLCHTKSSA-N 317.349 -0.210 30 20 DBED N#Cc1cn(CC(=O)N[C@@H]2CCN(C3CC3)C2)c(=O)nc1O 1412458083 UAFAPHRPBSCPFY-SNVBAGLBSA-N 303.322 -0.827 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C(=O)CCN1CCOCC1)C1CC1 1415883595 SAZWVYAZWGRRMV-ZDUSSCGKSA-N 322.409 -0.024 30 20 DBED C[C@H](C#N)C(=O)N(C)C[C@@H]1CCN(C(=O)c2cnn(C)n2)C1 1415948148 QGPFBUFBRQMEIS-MNOVXSKESA-N 304.354 -0.105 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]1CNC(=O)Cn1ccccc1=O 1417025130 KLIRBPMSTWZRLT-RYUDHWBXSA-N 302.334 -0.275 30 20 DBED Cc1nnc(CNC[C@@H](O)CN(C)C(=O)c2cc(C#N)c[nH]2)o1 1425984454 GCXRXNKEZNTRMR-LLVKDONJSA-N 318.337 -0.200 30 20 DBED Cc1nc(C#N)cc(N(C)CC(=O)N[C@@H]2CCS(=O)(=O)C2)n1 1434442871 PMSZQOAMIPKHLL-SNVBAGLBSA-N 323.378 -0.604 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H](CNC(=O)CCn2cnnn2)C1 1447618374 WDKRVFGFCZOKTK-VXGBXAGGSA-N 319.369 -0.422 30 20 DBED CN(C[C@@H](O)CNCc1cnn(C)n1)C(=O)c1cc(C#N)c[nH]1 1507471638 SGPDISXZWXXGRG-LBPRGKRZSA-N 317.353 -0.762 30 20 DBED C=CCn1cc(C(=O)NCC[C@H](C)NCc2nncn2C)nn1 1570469693 LMHCMVVCOILWNO-NSHDSACASA-N 318.385 -0.109 30 20 DBED CC[C@H]1NCC[C@@H]1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1577304044 IQUYFQAGRTUDJU-CIQGVGRVSA-N 311.407 -0.229 30 20 DBED CS(=O)(=O)N1CC[C@H](CNC(=O)[C@@H](N)CCCCC#N)C1 1579342171 IQMOOCRNXDMGES-NEPJUHHUSA-N 316.427 -0.205 30 20 DBED C=C[C@](C)(O)CC(=O)NCCNc1cnc(-c2nn[nH]n2)cn1 1588505144 NJMHEJRTAHRVKQ-ZDUSSCGKSA-N 318.341 -0.488 30 20 DBED C[C@H]1CN(C(=O)C(=O)N2CCO[C@@](C)(C#N)C2)C[C@]1(C)C(=O)O 1599910770 GQEXTWLHXLUBGZ-LKTVYLICSA-N 323.349 -0.303 30 20 DBED N#CCCCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCC(=O)O 1601065363 CJQHTBLHZUKELG-SNVBAGLBSA-N 317.367 -0.325 30 20 DBED CCCN1CCC[C@H]1C(=O)N[C@H]1CCN(CC(=O)NCC#N)C1 1690093436 YGCNBAHJZNZJII-KBPBESRZSA-N 321.425 -0.309 30 20 DBED CNC(=O)NC(=O)CN1CC[C@H](NC(=O)C#CC(C)(C)C)C1 1752386855 SJCDYIXMTQVEMT-NSHDSACASA-N 308.382 -0.318 30 20 DBED COCC#CCN1CC(CNC(=O)[C@@H](OC)[C@H]2CCOC2)C1 1753407410 IKBAOXPBDAHJQC-GJZGRUSLSA-N 310.394 -0.264 30 20 DBED C=CCNC[C@H](O)CNC(=O)c1cncc(-n2ccnn2)c1 1753922114 OANSWJSMXMIYTC-ZDUSSCGKSA-N 302.338 -0.471 30 20 DBED C#CCCNCCN(CC)C(=O)c1cn(CC(=O)N(C)C)nn1 1754084560 JYWMAMDGFRTQDZ-UHFFFAOYSA-N 320.397 -0.559 30 20 DBED C#CCNC(=O)CNC[C@@H](C)NC(=O)C[C@H](C)n1cccn1 1754247825 AJFDRBPMPFRZIC-OLZOCXBDSA-N 305.382 -0.322 30 20 DBED C#CCCNC[C@@H]1CCCC[C@H]1NC(=O)CN1CCNC(=O)C1 1754345290 IYYQBDOXCHIABP-LSDHHAIUSA-N 320.437 -0.294 30 20 DBED COCC#CCNC1(CNC(=O)CN2C(=O)CCC2=O)CC1 1754533329 RLWRZZIAFHSVJA-UHFFFAOYSA-N 307.350 -0.976 30 20 DBED C=CCOCCN1CC(O)(CNC(=O)c2cnn(C)c2C)C1 1754763091 GVVZXNOQUYOPPZ-UHFFFAOYSA-N 308.382 -0.292 30 20 DBED C#CCNCC[C@H]1CCN(C(=O)CCN2C(=O)CCC2=O)C1 1754922275 NRGVSIRWDDLNSW-ZDUSSCGKSA-N 305.378 -0.013 30 20 DBED C#CCOCCC(=O)N1CCO[C@H](CN[C@H](CC)C(N)=O)C1 1755002448 RDPRRMVACAQMMK-CHWSQXEVSA-N 311.382 -0.893 30 20 DBED N#CCNC[C@@H]1CN(C(=O)c2ccc3nnnn3c2)CCO1 1755005948 TUYZVAXYUXWXHJ-LLVKDONJSA-N 301.310 -0.922 30 20 DBED CN(CC#N)CCCN(C)C(=O)c1cnn2c(=O)cc[nH]c12 1755045752 HFOKFSNYBGAUEC-UHFFFAOYSA-N 302.338 -0.060 30 20 DBED C=CCOCCN[C@@]1(CO)CCCN(C(=O)c2cnon2)C1 1755091317 XBKFBCDQMZSCKG-AWEZNQCLSA-N 310.354 -0.171 30 20 DBED CC#CCNCC1(O)CCN(C(=O)c2ccc(O)nn2)CC1 1755147991 WIEPCNWBXZWAPA-UHFFFAOYSA-N 304.350 -0.238 30 20 DBED CC#CCN1CCOC2(CCN(C(=O)CNC(=O)NC)CC2)C1 1755174873 ZIHRBVJDIZPBDV-UHFFFAOYSA-N 322.409 -0.368 30 20 DBED C[C@H](NC(=O)c1cc[n+]([O-])cc1)[C@@H](C)NCC(=O)NCC#N 1755225517 CFKBCXFMRTUQEH-MNOVXSKESA-N 305.338 -0.944 30 20 DBED N#CCNC(=O)CN1C[C@H]2[C@H](CNC(=O)c3cnsn3)[C@H]2C1 1755418168 PBOJDWMOWUENRF-OWUUHHOZSA-N 320.378 -0.915 30 20 DBED CN(CC(=O)NCC#N)C1CCN(C(=O)c2n[nH]cc2F)CC1 1755533530 VXNNTWPPJIYUCM-UHFFFAOYSA-N 322.344 -0.275 30 20 DBED C#CCN(C)CCOCCNC(=O)C(C)(C)S(C)(=O)=O 1755543872 AXMSRHNGHZABMQ-UHFFFAOYSA-N 304.412 -0.493 30 20 DBED C#CCCN[C@H](CO)CNC(=O)[C@H](C)NC(=O)C1CCCC1 1755629432 MMEUQNVBHOTOPK-JSGCOSHPSA-N 309.410 -0.229 30 20 DBED CCCN1CCC[C@H]1C(=O)NC[C@H](CO)NCC#CCOC 1755630627 NQLLYAKFIDYUAK-CABCVRRESA-N 311.426 -0.423 30 20 DBED C=CCNC[C@@H]1CC[C@H](NC(=O)CCn2cc[nH]c(=O)c2=O)C1 1755745876 KFKCXTJOFCJLPY-OLZOCXBDSA-N 320.393 -0.013 30 20 DBED C#CCNC(=O)CNC1CC(N(C)C(=O)[C@@H]2CCCCO2)C1 1755855143 GVIHOKJUBWIRFN-RUXDESIVSA-N 307.394 -0.116 30 20 DBED C#CCOCCC(=O)N1CC([C@@H](C)NC(=O)[C@@H]2CCN(C)C2)C1 1756143070 JBWGZANCVMYBMQ-ZIAGYGMSSA-N 321.421 -0.059 30 20 DBED COCCN(C(=O)CN[C@H](C)CC#N)[C@@H]1CCS(=O)(=O)C1 1771861580 WDARXWZLWLWOHH-VXGBXAGGSA-N 317.411 -0.460 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)n1cncn1 1801360921 KIUBZBXDXQYBDN-FMSGJZPZSA-N 317.349 -0.938 30 20 DBED C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](C)NC(=O)C=C)C2 1801599731 MKXZFGLUOWGRSB-RVMXOQNASA-N 303.362 -0.052 30 20 DBED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)c1cnc(O)[nH]1)C2 1846196148 RFBHZUMZMBLMMT-UHFFFAOYSA-N 318.289 -0.980 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](C)CN 1847803382 YFCGKGQKJANLGU-CRWXNKLISA-N 307.394 -0.179 30 20 DBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCC(N)=O 268880753 WTYKMMPEMGBSSD-SECBINFHSA-N 324.362 -0.783 30 20 DBED C=CCCS(=O)(=O)N1CCN(C(=O)C(=O)OCC)CC1 268908485 YIDJRHYAOCSHGO-UHFFFAOYSA-N 304.368 -0.400 30 20 DBED C=CCn1c(S(=O)(=O)[C@H](C)C(=O)N(C)C(C)C)n[nH]c1=O 278688670 ZFRCNPOIDIWYTG-SECBINFHSA-N 316.383 -0.214 30 20 DBED CS(=O)(=O)c1cc(C(=O)NCC#CCO)cc([N+](=O)[O-])c1 283031706 YNFSJFWMCFEKRB-UHFFFAOYSA-N 312.303 -0.276 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2CCCCO2)C1=O 285481175 MGZRXIUNPBPIAE-OLZOCXBDSA-N 323.393 -0.083 30 20 DBED OC1=NCCN(CC/N=C(/O)N2CCN3C(O)=NC[C@@H]3C2)C1 329275501 BPMTWFVFZSILBM-SNVBAGLBSA-N 310.358 -0.914 30 20 DBED CN(CC(=O)N1CCO[C@@H](C#N)C1)S(=O)(=O)c1cccnc1 330654537 NECULWUYQJBDLB-NSHDSACASA-N 324.362 -0.547 30 20 DBED CN(C)CCn1ccc(N/C(O)=N/CC2(O)CCN(C)CC2)n1 331233656 FWXVLRWOGLTYNF-UHFFFAOYSA-N 324.429 0.227 30 20 DBED C[C@H](O)C[C@@H]1COCCN1S(=O)(=O)N(C)[C@H](C)CC#N 337846028 WYGZPHARQZNKDS-GRYCIOLGSA-N 305.400 -0.063 30 20 DBED CC1(C)CCC[C@]1(O)CNS(=O)(=O)N1CCO[C@H](C#N)C1 339019244 BEKBUJAGRYIFDM-YPMHNXCESA-N 317.411 -0.014 30 20 DBED COC(=O)[C@H](CNC(=O)C(=O)Nc1sccc1C#N)OC 342260526 DITIVPQZKRFBRC-QMMMGPOBSA-N 311.319 -0.138 30 20 DBED N#Cc1ccc(N2CC[C@@H](C(=O)N[C@H](CO)C(N)=O)C2)c(F)c1 344670971 SSOZKDUODQPLMD-ZYHUDNBSSA-N 320.324 -0.514 30 20 DBED COC(=O)CN(CC#N)C(=O)CN(C)C(=O)[C@H](C)n1cccn1 348795590 DVPSCOMPWSGCNZ-NSHDSACASA-N 321.337 -0.572 30 20 DBED Cc1nn(C)c(N2CCN(Cc3nnnn3C)CC2)c1C#N 349850801 GENVUHSPYYETKE-UHFFFAOYSA-N 301.358 -0.554 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C)CN(CC)CC)C1=O 353961015 RTRUQOYGCWSVGS-NSHDSACASA-N 324.381 -0.190 30 20 DBED C=CCOCC(=O)NCCN1CCN(c2ncccn2)CC1 354631585 WRRRKDVWGGNQRU-UHFFFAOYSA-N 305.382 -0.083 30 20 DBED CC[C@H](CC#N)NC(=O)CN1CCN(S(C)(=O)=O)CC1 358061055 UVQLNLSZWZXOTK-LLVKDONJSA-N 302.400 -0.628 30 20 DBED CCN(C[C@H](C)C#N)C(=O)CN1CC[C@@H](S(=O)(=O)NC)C1 372155707 GVSPGGMDXNDQOF-VXGBXAGGSA-N 316.427 -0.382 30 20 DBED CC(C)[C@@H]1C(=O)NCCN1S(=O)(=O)N(C)[C@H](C)CC#N 407975711 RCNWABPHBLVNNU-GHMZBOCLSA-N 302.400 -0.078 30 20 DBED N#C[C@@H]1COCCN1C(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O 408231401 HTYAKSDBFMJYFT-IJLUTSLNSA-N 305.334 -0.087 30 20 DBED C=CCn1cc(CNC(=O)[C@@H]2CC(=O)N(CCOC)C2)nn1 424923602 KJPQGYBBEVBUGE-LLVKDONJSA-N 307.354 -0.425 30 20 DBED C#CCN(C)CCCNS(=O)(=O)CCCN1CCOCC1 491776218 FZCGPXZLQJTQCE-UHFFFAOYSA-N 317.455 -0.417 30 20 DBED Cc1cnn(C[C@@H](NS(=O)(=O)CC2(C#N)CC2)C(=O)O)c1 547873934 GDVIIBRWCRNHQP-SNVBAGLBSA-N 312.351 -0.132 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)c2[nH]c(O)nc2C)CC1 565171058 KOOLFBFRLRNDAC-UHFFFAOYSA-N 307.354 -0.516 30 20 DBED N#Cc1ncn(CCNC(=O)N2CCO[C@H]([C@@H]3CCCO3)C2)n1 588215786 DVDDTWQBQRYBTP-RYUDHWBXSA-N 320.353 -0.261 30 20 DBED N#CCNC(=O)CNC(=O)Nc1cnn(-c2ncccc2C#N)c1 588278114 JGKDBOBNQDKDJZ-UHFFFAOYSA-N 324.304 -0.100 30 20 DBED Cc1ccn(C[C@@](C)(O)C(=O)Nc2n[nH]c(C)c2C#N)c(=O)c1 588717992 NSDLSVVHOAHYFG-OAHLLOKOSA-N 315.333 0.450 30 20 DBED C[C@@H](NS(=O)(=O)c1cncc(C#N)c1)[C@H]1CN(C)CCO1 589284837 CNLAERXRDICGPO-ZWNOBZJWSA-N 310.379 -0.049 30 20 DBED CN(CC(=O)N1CC[C@@](O)(CC#N)C1)c1ncnc2[nH]cnc12 592841286 BSNYHSWECRHLTL-AWEZNQCLSA-N 315.337 -0.334 30 20 DBED C[C@@H](O)C[C@@H]1CCCN1C(=O)C(=O)N1CCN(CCC#N)CC1 601460898 QQNMKHGQAWLBFN-KGLIPLIRSA-N 322.409 -0.194 30 20 DBED C=CC1CCN(C(=O)NCCNS(=O)(=O)N(C)C)CC1 665017943 GJXIWBBOBZNPFO-UHFFFAOYSA-N 304.416 -0.010 30 20 DBED C=C[C@@H](O)C(=O)N1CCN([C@H](C)C(=O)NCCCOC)CC1 668237401 NFFFOZXBHJOLJE-CHWSQXEVSA-N 313.398 -0.781 30 20 DBED C#CCn1cc(CNC(=O)CCC(=O)N2CCOCC2)cn1 791261268 CPMREGZJPLFPFQ-UHFFFAOYSA-N 304.350 -0.229 30 20 DBED CS(=O)(=O)Nc1cccc(CC(=O)N[C@H]2CNC[C@H]2C#N)c1 834485362 VPPZXMHCBBFQCN-YPMHNXCESA-N 322.390 -0.172 30 20 DBED C#CCn1ccc(CN(CC)C(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)n1 834705928 VHTZZETYTXAKEW-RBSFLKMASA-N 319.361 -0.722 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)c1c(C(=O)OCC)cnn1C 845185918 JSMMMQMRLSPFNE-VIFPVBQESA-N 307.306 -0.109 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)N2CCOCC2)CC1 852192411 CDTLJTJCPZHFAX-UHFFFAOYSA-N 308.382 -0.758 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N1CC[C@H](C)[C@@H](CO)C1 857096469 OCTCJNFIHOSLGQ-UONOGXRCSA-N 310.394 -0.038 30 20 DBED C#CCSCC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 895760821 UNCPJXFZYRXUTM-UHFFFAOYSA-N 323.418 -0.354 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cnc(O)n(C)c2=O)[C@H](C)C1 942553192 MOAQPFFQZAJWSG-PWSUYJOCSA-N 304.350 -0.441 30 20 DBED CO[C@@H](C)C(=O)N1CCO[C@@H](CNC(=O)c2ccc(C#N)[nH]2)C1 944558758 ULPNUWBEOCOVAH-JQWIXIFHSA-N 320.349 -0.122 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2[C@H]3C[C@H]2N(C(=O)c2nc[nH]n2)C3)[nH]1 946947770 QPYBXUAMTOGREB-XROYCOCOSA-N 311.305 -0.353 30 20 DBED C#CCN1CCOC2(CCN(C(=O)c3cn(C)nn3)CC2)C1 949358164 FKCMMJCZVDQVRW-UHFFFAOYSA-N 303.366 -0.245 30 20 DBED C=C(Cl)CN1CCN(C(=O)c2cnc(O)n(C)c2=O)CC1 949606938 SPQMUWKZKBEEIQ-UHFFFAOYSA-N 312.757 -0.004 30 20 DBED COc1cncc(C(=O)N(C)C2CN(C(=O)[C@H](C)C#N)C2)n1 954273010 WOKGHGZBKFMTLY-SECBINFHSA-N 303.322 -0.072 30 20 DBED CN(C(=O)c1c[nH]c(C(N)=O)c1)C1CN(C(=O)C#CC2CC2)C1 954336143 ZFWUYZHPQDHVGF-UHFFFAOYSA-N 314.345 -0.190 30 20 DBED CN(C(=O)[C@H]1C[C@H]1C(N)=O)C1CN(C(=O)c2cc(C#N)c[nH]2)C1 955346779 MMSMMGJSXXTAJH-MNOVXSKESA-N 315.333 -0.709 30 20 DBED Cn1nc(C(=O)NC[C@H]2CN(CC#N)C[C@@H]2O)cc1C1CC1 958122114 QBVYMPPXKMJPOK-FZMZJTMJSA-N 303.366 -0.156 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cncn1C 960584894 MWHVUAQEUTWIHL-WCFLWFBJSA-N 317.349 -0.368 30 20 DBED C#Cc1cncc(C(=O)NC2[C@@H]3CN([C@H](C)C(=O)NC)C[C@@H]23)c1 961723862 UAYZSWKQIFEAGE-LERXQTSPSA-N 312.373 -0.143 30 20 DBED C=C(C)CN1C[C@H]2C(NC(=O)[C@@H]3CCN(C)S3(=O)=O)[C@@H]2C1 962004902 ACIYRSDYKSYWTD-UTUOFQBUSA-N 313.423 -0.357 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)C1CCOCC1 964063912 SFVYGLPAYPNWFA-AAEUAGOBSA-N 309.366 -0.084 30 20 DBED N#Cc1cc(C(=O)N2CCC3(CC2)C[C@H]3NC(=O)C(N)=O)c[nH]1 965037994 JXADBHRGHDPGJT-LLVKDONJSA-N 315.333 -0.517 30 20 DBED CC1(C(=O)N[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@@H]2O)CC1 965903766 OMFZWYIFQKAHJY-NEPJUHHUSA-N 302.334 -0.012 30 20 DBED CC1(C)CN(C(=O)c2cc(C#N)c[nH]2)CC[C@H]1NC(=O)C(N)=O 967117910 QRWBIKWIEXRMQU-LLVKDONJSA-N 317.349 -0.271 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)c2cc3c([nH]2)CCC3)C1 968927631 RPNBSVYKMFGMEL-FZZIBODNSA-N 316.361 -0.035 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@@H](NCc2cnn(C)n2)C1 968954797 RNMYNVPCFRTUSQ-HIFRSBDPSA-N 316.409 -0.397 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)[C@@H]3CCNC(=O)C3)C2)C1 972338603 IDVVNPQNNHYIJM-CJNGLKHVSA-N 305.378 -0.551 30 20 DBED C#CCN(C)[C@@H]1CCN(C(=O)Cn2ncn3nccc3c2=O)C1 972471610 GLZGLTDWDUVXDD-GFCCVEGCSA-N 314.349 -0.943 30 20 DBED N#Cc1cc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CCNC3=O)C2)c[nH]1 974053848 PVLRVCIFIDYYAZ-JFGNBEQYSA-N 315.333 -0.601 30 20 DBED C=CCN1CC[C@@H](N2C[C@@H](NC(=O)C(N)=O)C(C)(C)C2)C1=O 974990409 AQHCSJGTEGJJKT-GHMZBOCLSA-N 308.382 -0.915 30 20 DBED C#Cc1cncc(C(=O)NCC2[C@@H]3CN([C@@H](C)C(N)=O)C[C@@H]23)c1 978696035 HAOQGTMUOJMSES-LKTVYLICSA-N 312.373 -0.156 30 20 DBED COc1ncnc(OC)c1C(=O)NC[C@H]1[C@@H]2CN(CC#N)C[C@H]12 979133819 NXWUFCGWUYVSLY-RTCCRHLQSA-N 317.349 -0.075 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CC[C@@H]3CN(C(=O)C(N)=O)C[C@H]32)[nH]1 979908134 BDMWOMRUZXPWDB-FBIMIBRVSA-N 315.333 -0.662 30 20 DBED CC[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)CC(N)=O 984780613 FAWICVVZVKDILU-CMPLNLGQSA-N 317.349 -0.129 30 20 DBED C#CCN[C@H]1CCN(C(=O)c2ccc(-n3cnnn3)cn2)[C@H]1C 986601925 MYINTVCRGGYWTH-AAEUAGOBSA-N 311.349 -0.117 30 20 DBED CN1CCO[C@@H](C(=O)NC2CN(C(=O)c3c[nH]c(C#N)c3)C2)C1 990616015 GAUPXBGWIVHCAY-CYBMUJFWSA-N 317.349 -0.842 30 20 DBED N#Cc1cc(C(=O)N2CC(NC(=O)[C@@H]3CCNC(=O)C3)C2)c[nH]1 990799120 TWIKFXFWXMBDCP-SECBINFHSA-N 315.333 -0.647 30 20 DBED C#Cc1ccc(C(=O)N2CC(NC(=O)Cc3cncn3C)C2)cn1 996447572 MBMACJBLEPNHPU-UHFFFAOYSA-N 323.356 -0.020 30 20 DBED N#CCN[C@@H]1CCCN(C(=O)[C@H]2CCc3nnnn3CC2)C1 1000251769 RXLWTNUGQGRPIJ-NWDGAFQWSA-N 303.370 -0.270 30 20 DBED C#CCCN1CCC(N(C)C(=O)CN2CCNC(=O)C2)CC1 1005814848 JHMDBMQMONEKPC-UHFFFAOYSA-N 306.410 -0.636 30 20 DBED COCC(=O)N1CCO[C@H]([C@@H](C)NC(=O)c2ccc(C#N)[nH]2)C1 1009615401 XSCRCYKMBGGUKD-MFKMUULPSA-N 320.349 -0.122 30 20 DBED N#Cc1cc(C(=O)N2C[C@H]3C(NC(=O)c4cnon4)[C@@H]3C2)c[nH]1 1013639813 OSHSQVOSMHJBDY-NXEZZACHSA-N 312.289 -0.230 30 20 DBED N#Cc1ccc(CN2CC[C@@H](NC(=O)[C@H]3CNC(=O)N3)C2)s1 1015635703 VWKJKHYCOXGSEY-BXKDBHETSA-N 319.390 -0.008 30 20 DBED CC#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CCC(=O)NC1=O 1018147909 WIEPFCYKQGTDEH-BETUJISGSA-N 318.377 -0.373 30 20 DBED C[C@H]1CCN(C(=O)C(N)=O)C[C@H]1CNC(=O)c1cc(C#N)c[nH]1 1018620838 YSDRYQNIRBGXPM-GXSJLCMTSA-N 317.349 -0.414 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H]2C[C@H](NCC(=O)N3CCC3)C2)c1 1020055465 PXGSBXJWJIHPJJ-HAQNSBGRSA-N 301.350 -0.031 30 20 DBED C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2nnc(O)nc2O)C1 1025474875 PHWKHDXRTHSRIG-NXEZZACHSA-N 305.338 -0.254 30 20 DBED CCn1cc(CC(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2O)cn1 1025745672 DGMTYKJFMRYBFI-CYZMBNFOSA-N 319.365 -0.707 30 20 DBED C#CCN1CCC(C(=O)NC2CN([C@@H](CC)C(N)=O)C2)CC1 1031435272 WMADPJAYNVTCKK-AWEZNQCLSA-N 306.410 -0.604 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2CN(CC#CC)CCO2)nn1 1035535195 GNKZEUONCNUVAQ-CYBMUJFWSA-N 303.366 -0.082 30 20 DBED C=CCN[C@H]1CCN(C(=O)CCn2ncn(C)c2=O)C[C@@H]1C 1036115593 NRHVFNBSJQJVNG-STQMWFEESA-N 307.398 -0.016 30 20 DBED CCC(=O)N1CCC(=O)NCCN(c2ccc(C#N)nn2)CC1 1039659217 QIBSEWTXOPVRGJ-UHFFFAOYSA-N 316.365 -0.087 30 20 DBED CC(C)C#CC(=O)NC[C@]1(O)CCN(C(=O)CCN(C)C)C1 1039665757 RWOJJPJRFAXFSM-MRXNPFEDSA-N 309.410 -0.323 30 20 DBED C=CCO[C@@H](C)C(=O)NC[C@]1(O)CCN(C(=O)c2cnn[nH]2)C1 1040162809 COQUUWIBPJSRHP-IINYFYTJSA-N 323.353 -0.911 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)C3=CCOCC3)C2)nc1 1040998567 YGUMGYDAWRJGNO-ZIAGYGMSSA-N 314.345 -0.034 30 20 DBED CN1CC[C@@H](C(=O)N[C@@H]2CN(c3ccc(C#N)nc3)C[C@H]2O)C1 1041048972 FFJRNUSFZXEAAQ-KCPJHIHWSA-N 315.377 -0.429 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(O)(CNC(=O)CCOCC)C1 1041994472 NADDODJAMIVUKQ-AWEZNQCLSA-N 314.382 -0.570 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)c2cccnc2C)C1 1042039646 GJRIPMHAJDUPGN-UHFFFAOYSA-N 319.361 -0.104 30 20 DBED C#CCCN1CC[C@@H]2CCN(C(=O)C3CC(=O)NC(=O)C3)C[C@H]21 1042267079 UQCWCOQVDBKRQK-TZMCWYRMSA-N 317.389 -0.015 30 20 DBED Cc1nc(C(=O)NCC2(O)CN(C(=O)C#CC3CC3)C2)co1 1042744593 QQKUUNDFHOGLEY-UHFFFAOYSA-N 303.318 -0.300 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)CSCC#N)C1 1042801960 AAOISGHQKAGXSM-UHFFFAOYSA-N 309.391 -0.264 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)CCCOC)C1 1043037085 XWTDDUSOWUDGCX-LBPRGKRZSA-N 312.366 -0.859 30 20 DBED C=CCC(C)(C)C(=O)N1CC(O)(CNC(=O)Cn2nccn2)C1 1043213965 SNNNNAMHPJBEJJ-UHFFFAOYSA-N 321.381 -0.430 30 20 DBED N#CCN1CC[C@H](N2CCN(C(=O)Cc3ccon3)CC2)C1 1046012257 MMPLKVNNHRSQGP-AWEZNQCLSA-N 303.366 -0.041 30 20 DBED COCCn1nccc1C(=O)N(C)[C@H]1CN(CC#N)C[C@@H]1O 1047422239 HRVDVLFFSRUGHJ-STQMWFEESA-N 307.354 -0.830 30 20 DBED CC(C)C(=O)N1CCC[C@@H]1C(=O)N(C)[C@H]1CN(CC#N)C[C@@H]1O 1047631771 TUFSLIXWJLCHNO-RDBSUJKOSA-N 322.409 -0.340 30 20 DBED CC(C)(C)n1nnc(CC(=O)N2C[C@@H]3CN(CC#N)C[C@@H]3C2)n1 1048838026 ABMGGSAFOZXERN-TXEJJXNPSA-N 317.397 -0.116 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H]2CN(Cc3nnnn3C)C[C@H]21 1049998606 JAIFWWVSAOSAHL-SDDRHHMPSA-N 303.370 -0.207 30 20 DBED C[C@@H]1[C@@H](NC(=O)[C@H]2CCNC2=O)CCN1c1cncc(C#N)n1 1050849535 KUBIWTFPXOVQSS-USWWRNFRSA-N 314.349 -0.432 30 20 DBED N#Cc1ccc(C(=O)NC[C@H]2COCCN2Cc2cnon2)[nH]1 1050872642 QILSSZUMUIRDPS-LBPRGKRZSA-N 316.321 -0.100 30 20 DBED N#CCN1CCN([C@H]2CCN(C(=O)CO[C@H]3CCOC3)C2)CC1 1052027209 YRLVJFPBSVNDTQ-GJZGRUSLSA-N 322.409 -0.466 30 20 DBED C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1CNC(=O)CC(N)=O 1052312315 BQNKGHYOAHYFPA-KOLCDFICSA-N 317.349 -0.414 30 20 DBED Cn1ccc(C(=O)N[C@@H]2COC3(C2)CN(CC#N)C3)cc1=O 1053849747 SPWJTTJIENVYNF-LBPRGKRZSA-N 302.334 -0.518 30 20 DBED N#Cc1nccc(N2CCN(C(=O)C[C@@H]3CCC(=O)N3)CC2)n1 1055849067 NKKQSFMVXOLWJB-NSHDSACASA-N 314.349 -0.334 30 20 DBED N#Cc1cnccc1N1C[C@H]2C(NC(=O)Cn3ncnn3)[C@@H]2C1 1056311283 YSCNQVHQENGJQU-GHMZBOCLSA-N 310.321 -0.809 30 20 DBED C#CCOCCC(=O)NCCN(CCO)C(=O)[C@H](C)OCC 1057065508 LBSFLAFTJQPFMS-ZDUSSCGKSA-N 314.382 -0.612 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)[C@@H]1CCO[C@H]1C 1057194679 LCCJXRZKTVLDBB-QWHCGFSZSA-N 314.382 -0.449 30 20 DBED C#CCOCCC(=O)NCCN(CCO)C(=O)[C@H](C)OCC#C 1057585371 XNIGIRJOBLBXMY-AWEZNQCLSA-N 324.377 -0.998 30 20 DBED Cc1c[nH]c(C(=O)N(CCO)CCNC(=O)C#CC(C)C)n1 1057706904 AUQVGZOBBSDFKE-UHFFFAOYSA-N 306.366 -0.072 30 20 DBED C=C[C@H](C)[C@@H](C)C(=O)N(CCO)CCNC(=O)c1ncn(C)n1 1058435281 HPLVZOOAOBGIHP-NWDGAFQWSA-N 323.397 -0.176 30 20 DBED C[C@H](C(=O)NCCN(CCO)C(=O)[C@H](C)C#N)c1ccnn1C 1058660940 LMTXLYHMYXAWCH-NEPJUHHUSA-N 321.381 -0.380 30 20 DBED CC#CCCCC(=O)NCCN(CCO)C(=O)Cn1cncn1 1058885227 HQBLVANVIOEMTO-UHFFFAOYSA-N 321.381 -0.591 30 20 DBED N#Cc1nc(=N[C@H]2C[C@H](NC(=O)C[C@@H]3CCNC3=O)C2)cc[nH]1 1059323943 CAYHRJJVOIHUCL-DCAQKATOSA-N 314.349 -0.645 30 20 DBED N#Cc1cc([N+](=O)[O-])ccc1N1C[C@H]2[C@H](NC(=O)C(N)=O)[C@H]2C1 1060468504 AHLHMJONJNHMHM-IAZYJMLFSA-N 315.289 -0.497 30 20 DBED C=CCCOCC(=O)N1CCOC[C@@H]1CNC(=O)COC 1061181899 POKWJSGVFIROJP-LBPRGKRZSA-N 300.355 -0.431 30 20 DBED O=C(Cn1cccn1)NC[C@H]1COCCN1C(=O)C#CC1CC1 1061286224 TUGHXWACIQIHBY-AWEZNQCLSA-N 316.361 -0.360 30 20 DBED N#Cc1ccc(N2CCC[C@H]2CNC(=O)[C@H]2COCCO2)nn1 1061298415 MFOWZPVMONCBLH-QWHCGFSZSA-N 317.349 -0.151 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@H]1COCCN1C(=O)COC 1061538170 LBDJLPQHGOQWKX-FZMZJTMJSA-N 300.355 -0.697 30 20 DBED N#Cc1cnc(N2CC[C@@H](CNC(=O)[C@H]3CCC(=O)N3)C2)cn1 1061540067 WSVGGJOODHBZRG-CMPLNLGQSA-N 314.349 -0.431 30 20 DBED C=CC(C)(C)C(=O)NC[C@H]1COCCN1C(=O)[C@@H]1CCC(=O)N1 1061753566 OFIRLSKALWTTHS-RYUDHWBXSA-N 323.393 -0.179 30 20 DBED CC#CCCCC(=O)NC[C@@H]1COCCN1C(=O)c1cnn[nH]1 1061790944 TVURYQSPBFVQTE-GFCCVEGCSA-N 319.365 -0.045 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCCC[C@@H]1CNC(=O)CC(N)=O 1062169745 BJPCYVCJELLQTB-IAQYHMDHSA-N 311.382 -0.314 30 20 DBED N#Cc1nccnc1N1C[C@@H]2C[C@H]1CN2C(=O)c1cncnc1O 1062539821 CSBKQIUYENOXFZ-UWVGGRQHSA-N 323.316 -0.053 30 20 DBED C=CCCC(=O)NCC1(NC(=O)CN2C(=O)CNC2=O)CCC1 1062686065 ZYVOKKKQVXMEQF-UHFFFAOYSA-N 322.365 -0.341 30 20 DBED C#CCOCCC(=O)NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCC1 1062993168 RSHGPZPLIBNDOS-VXGBXAGGSA-N 323.349 -0.153 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)c2nnc(O)nc2O)CCC1 1063788859 VLAVQGWDJRTDDY-ZETCQYMHSA-N 320.309 -0.789 30 20 DBED C[C@@H](Nc1cnc(C#N)cn1)[C@@H]1CCCN(C(=O)C(N)=O)C1 1063905435 YZTHWBMBCDDIET-NXEZZACHSA-N 302.338 -0.127 30 20 DBED CC(C)C#CC(=O)NC1(CNC(=O)[C@H]2C[C@H]2C(N)=O)CCC1 1064559280 HFBHRVYRYVCURY-NEPJUHHUSA-N 305.378 -0.078 30 20 DBED C#CCOCCC(=O)NC[C@H]1CN(C(=O)CCOC)CCO1 1064723539 FLZGFPGOXSCYRO-ZDUSSCGKSA-N 312.366 -0.594 30 20 DBED C=CCC1(C(=O)NC[C@H]2CN(C(=O)CC(N)=O)CCO2)CCC1 1064998406 FDMNBHXSGNUQPB-LBPRGKRZSA-N 323.393 -0.048 30 20 DBED O=C(Cc1cc[nH]n1)NC[C@@H]1CN(C(=O)C#CC2CC2)CCO1 1065134091 DMUBFJFZSXAEEZ-CQSZACIVSA-N 316.361 -0.291 30 20 DBED O=C(Cn1cccn1)NC[C@H]1CN(C(=O)C#CC2CC2)CCO1 1065134787 NNMXYTZIEFJIQM-AWEZNQCLSA-N 316.361 -0.360 30 20 DBED N#Cc1ccc(N2CC[C@H]3[C@@H]2CCCN3C(=O)C(N)=O)nn1 1066183463 QMLPJGDTBOZOHN-QWRGUYRKSA-N 300.322 -0.597 30 20 DBED N#Cc1nc(=NC[C@H]2C[C@H](NC(=O)Cn3nccn3)C2)cc[nH]1 1068536086 ZTADHMXZGYPSPF-XYPYZODXSA-N 312.337 -0.631 30 20 DBED C=C(C)CCC(=O)N[C@@H]1COC2(C1)CN(C(=O)CNC(C)=O)C2 1068890094 MYFKLCBZOBCBGF-ZDUSSCGKSA-N 323.393 -0.035 30 20 DBED C#CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2ccn(C)n2)C1 1070096056 FWHATRMDWICILX-KGLIPLIRSA-N 313.365 -0.310 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)[C@@]23COC[C@@H]2C3)CCOCC1 1070138742 CMBYPGGIGFNBAY-WQGACYEGSA-N 321.377 -0.036 30 20 DBED C#CCCCCC(=O)N1CCC[C@@H](NC(=O)Cn2cnnn2)C1 1070635099 UNZFCVAFATVFGF-CYBMUJFWSA-N 318.381 -0.026 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H](NC(=O)CNC(=O)C2CC2)C1 1071226686 JSWKJGBFOCVKMK-ZYHUDNBSSA-N 306.366 -0.221 30 20 DBED C=CCOCC(=O)N1C[C@@H](NC(=O)CCn2cncn2)[C@H](C)C1 1071807687 BAEYQYLQOKBWHL-CHWSQXEVSA-N 321.381 -0.166 30 20 DBED C[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1NC(=O)CSCC#N 1072014819 VDYFSKAUYWCESB-NXEZZACHSA-N 322.394 -0.351 30 20 DBED C=CCOCC(=O)N[C@H]1CN(C(=O)c2[nH]nnc2C)C[C@@H]1C 1072492867 IFJGBRYFGKZWGX-ONGXEEELSA-N 307.354 -0.108 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@H]1C 1072615898 CEPIOYSKXFRLRW-ZYHUDNBSSA-N 320.349 -0.451 30 20 DBED CC#CCN1CCC2(C1)CN(C(=O)C[C@@H]1NC(=O)NC1=O)C2 1072822590 OZTGBCRJSPLGAV-NSHDSACASA-N 304.350 -0.858 30 20 DBED C=C(C)CN1CCCO[C@@H](CNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 1073795306 AEGPPAKXQPGTLE-RYUDHWBXSA-N 324.381 -0.632 30 20 DBED C=CCN1CCCO[C@H](CNC(=O)C2CC(=O)NC(=O)C2)C1 1073818025 AJZQEQDFJPTJCF-GFCCVEGCSA-N 309.366 -0.568 30 20 DBED C=CCOCC(=O)N1CC[C@H](NC(=O)c2cnnn2C)[C@H](C)C1 1073921909 SWZMATGEMPIBCD-NEPJUHHUSA-N 321.381 -0.016 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)CCc3cnn[nH]3)C[C@@H]21 1074340052 FZDGCPZZLZGDKG-UONOGXRCSA-N 303.366 -0.328 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](NC(=O)c2cnn[nH]2)C[C@H]1C 1075055183 FQMBTZYBVAFDGC-VXGBXAGGSA-N 319.365 -0.046 30 20 DBED C=CCOCC(=O)N1CC[C@@H](NC(=O)c2nnn(C)n2)C[C@H]1C 1075109105 CSTKFIKYGHEIRL-GHMZBOCLSA-N 322.369 -0.478 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC[C@H](C)NC(=O)CNC(=O)OC 1076300668 QGHYLUXWEZXUCX-IINYFYTJSA-N 315.370 -0.320 30 20 DBED C#CCOCCC(=O)NCC[C@H](C)NC(=O)c1cnnn1CC 1076503940 DIUMKNJBWBWKSO-LBPRGKRZSA-N 321.381 -0.038 30 20 DBED C=CCCOCC(=O)NCC[C@H](C)NC(=O)[C@@H]1COC(=O)N1 1077062911 PPJZMWPHHNCUCM-QWRGUYRKSA-N 313.354 -0.302 30 20 DBED COc1cccn2ncc(C(=O)N[C@@H]3CN(CC#N)C[C@H]3O)c12 1077849852 ROZXDVNPCNACIB-VXGBXAGGSA-N 315.333 -0.359 30 20 DBED CCCS(=O)(=O)CC(=O)N[C@@H](C)CCNC(=O)[C@@H](C)C#N 1078133432 KHAUGAOUUFKFRK-QWRGUYRKSA-N 317.411 -0.018 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@@H](N(C)C(=O)COC)CC1 1078774889 HAMFIGXGAYSOGG-CYBMUJFWSA-N 323.393 -0.388 30 20 DBED N#CCN[C@H]1C[C@H]2CC[C@H]1N(C(=O)CN1CCOCC1=O)C2 1078968974 CJSHNFHXLXMHQA-FRRDWIJNSA-N 306.366 -0.662 30 20 DBED C=CCCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)CC(N)=O)C1 1079445320 QZKNJFJOKMRQDQ-NSHDSACASA-N 311.382 -0.098 30 20 DBED CCN(C(=O)[C@@H]1CN(C)C(=O)N1)C1CN(C(=O)C#CC(C)C)C1 1080215789 CNNBRIGQFJDZEO-ZDUSSCGKSA-N 320.393 -0.271 30 20 DBED CSCC(=O)NC[C@H]1CN(C(=O)CSCC#N)C[C@@H]1O 1081237684 RTARUAIVRUZLAV-UWVGGRQHSA-N 317.436 -0.458 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cc[nH]n2)C1 1081286817 PQUMFTQLTNJPCK-WCQYABFASA-N 304.350 -0.382 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)c2nccnc2N)C[C@@H]1O 1081332547 HKSOLTYUFSXOMV-QWRGUYRKSA-N 319.365 -0.426 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2ccc[nH]2)C[C@@H]1O 1081343408 BUTWJTQIWBEKLN-AAEUAGOBSA-N 307.350 -0.234 30 20 DBED Cc1n[nH]cc1C(=O)NC[C@H]1CN(C(=O)C#CC(C)C)C[C@@H]1O 1081636127 ZJXFKCRJUQUMLK-JSGCOSHPSA-N 318.377 -0.073 30 20 DBED C#CCN1C[C@@H](NC(=O)c2c(C)c(C)nn(C)c2=O)[C@H](OC)C1 1082009516 GRZQKEMLRPBKAZ-CHWSQXEVSA-N 318.377 -0.541 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CCN1CCCC1=O 1083277134 QJXZQKFTNQUNCS-QWHCGFSZSA-N 306.366 -0.566 30 20 DBED CC1(C)[C@@H]2[C@@H](CCCN2CC#N)[C@H]1NC(=O)Cn1cnnn1 1087271174 NHQJZLNHGNVSRL-UHTWSYAYSA-N 303.370 -0.198 30 20 DBED C=CCN1CC[C@@H]2CN(C(=O)CN3C(=O)CN(C)C3=O)C[C@@H]2C1 1088193940 FDMJFOQZIPOMMH-OLZOCXBDSA-N 320.393 -0.153 30 20 DBED N#CCN1C[C@H]2[C@@H]3CC[C@@H](CN3C(=O)Cn3cnnn3)[C@H]2C1 1089771396 ZFSWKJFRVYQFGE-LOWDOPEQSA-N 301.354 -0.635 30 20 DBED C=CCN1CC[C@@H](NC(=O)c2cn3c(n2)COCC3)[C@H](O)C1 1090360654 LQRCJHDCVBMNEK-DGCLKSJQSA-N 306.366 -0.236 30 20 DBED C#CCN1CC[C@@H](NC(=O)Cc2ccnc(OC)c2)[C@H](O)C1 1090573474 MVJKJZBLRYZGJT-ZIAGYGMSSA-N 303.362 -0.183 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2ccc(C(N)=O)cc2)[C@H](O)C1 1090803224 ZFJKRSFYEABHSU-HUUCEWRRSA-N 315.373 -0.026 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(c2ncc(Cl)cn2)C[C@@H]1O 1091149884 HETYOVSPQVAMBI-NEPJUHHUSA-N 324.768 -0.164 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1C[C@@H](CNC(=O)Cn2ncnn2)C1 1091371781 KGFQEXCULQASHL-KLPPZKSPSA-N 312.337 -0.631 30 20 DBED C=CCOCC(=O)N1CCN(c2nccn3nnnc23)CC1 1093141847 NXHGTXXPMXCZPH-UHFFFAOYSA-N 303.326 -0.630 30 20 DBED N#Cc1cccnc1NCCNC(=O)c1nccnc1C(N)=O 1093625613 OCHSBEQODKMMDV-UHFFFAOYSA-N 311.305 -0.316 30 20 DBED C[C@H]1C[C@H](C(=O)NCCN=c2cc[nH]cc2C#N)CC(=O)N1 1093983412 ZQNVWFLOAFXBNM-QWRGUYRKSA-N 301.350 -0.182 30 20 DBED N#Cc1cncc(NCCNC(=O)[C@H]2CC[C@@H](C(N)=O)C2)n1 1094120028 FAUKDVIBXSTKSZ-ZJUUUORDSA-N 302.338 -0.222 30 20 DBED C#CCCN1CC(n2cc(CNC(=O)c3cnon3)nn2)C1 1094330896 WFWCHEQTRIILIU-UHFFFAOYSA-N 301.310 -0.529 30 20 DBED N#Cc1ccc(NCCCNC(=O)Cn2cnnc2O)cn1 1094373515 ILTHAYKRSXRPRM-UHFFFAOYSA-N 301.310 -0.131 30 20 DBED N#Cc1nc(=NCCCNC(=O)CCN2CCOCC2)cc[nH]1 1094492803 WHHOXGGJPJREOY-UHFFFAOYSA-N 318.381 -0.589 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)[C@H]3CCCNC3=O)CC2=O)C1 1094747411 ROHXBWNBQXVTSA-YPMHNXCESA-N 320.393 -0.900 30 20 DBED C[C@@H](CC(=O)N1CC[C@@H](Nc2nccnc2C#N)C1)NC(N)=O 1095062318 WTNHJGDJYWLLJM-VHSXEESVSA-N 317.353 -0.192 30 20 DBED N#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H]1CCc2nnc(O)n2C1 1095642507 ZWMMGTKOGPRBPM-USZNOCQGSA-N 316.365 -0.209 30 20 DBED CN(CCCNC(=O)[C@]1(C)CNC(=O)C1)c1ccnc(C#N)n1 1095682126 VCDPPXJCKFVIHQ-HNNXBMFYSA-N 316.365 -0.183 30 20 DBED CCN(CCCNC(=O)Cn1ncnn1)c1nccnc1C#N 1095925130 DXYKAPWWXQTDQE-UHFFFAOYSA-N 315.341 -0.632 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCN(c2ccc3nnnn3n2)C1 1096441965 LTFFRMXUZQPSCZ-LLVKDONJSA-N 315.337 -0.746 30 20 DBED C[C@@H](CC(=O)NC[C@H](C)Nc1ccc(C#N)nn1)NC(N)=O 1098075894 ILQXEXGPOZTRPV-IUCAKERBSA-N 305.342 -0.288 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1C)N=c1cc[nH]c(C#N)n1 1098199877 JIPZLPVCRHQYNK-UWVGGRQHSA-N 302.338 -0.692 30 20 DBED C=CCN(CCO)C1CCN(C(=O)C[C@@H](C)NC(N)=O)CC1 1098369997 YRRGABAMGHMRAQ-GFCCVEGCSA-N 312.414 -0.095 30 20 DBED C#CCNCc1cn([C@H]2CCN(C(=O)COCC=C)C2)nn1 1098644946 FYFNJBYAJKSUCG-AWEZNQCLSA-N 303.366 -0.023 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)c2ccco2)[C@H](O)C1 1099624387 QLEGNCZTMRTISQ-NWDGAFQWSA-N 307.350 -0.253 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2cc(C)on2)[C@@H](O)C1 1099651052 OPRIQIUMJDKSIX-OCCSQVGLSA-N 307.350 -0.202 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2cccc(O)n2)[C@@H](O)C1 1099754921 KADLYYCIGQXAQG-JSGCOSHPSA-N 319.361 -0.398 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)c2cncnc2)[C@@H](O)C1 1099786943 RXKCLTGTRBUHSJ-KGLIPLIRSA-N 306.366 -0.156 30 20 DBED COCC#CCN1CC[C@H](NC(=O)CC2(O)CCC2)[C@H](O)C1 1099823574 FPZXEFGLVBVTME-UONOGXRCSA-N 310.394 -0.507 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)C2(C)CCCC2)[C@@H](O)C1 1099935679 SDYUKCMIQGBQHG-KBPBESRZSA-N 321.421 -0.133 30 20 DBED Cc1cc(C#N)nc(N(C)CCNC(=O)[C@H]2CN(C)CCO2)n1 1099997149 ZILRDAGUBCMESB-CYBMUJFWSA-N 318.381 -0.460 30 20 DBED C#CCNC(=O)CC(=O)NCCN(C)c1cncc(C#N)n1 1100037572 GVNMHLZFMCKJMG-UHFFFAOYSA-N 300.322 -0.960 30 20 DBED C#CCN1CC[C@H](NC(=O)CCCc2nc(C)no2)[C@H](O)C1 1100112993 YAJHNFMOGLWFRJ-QWHCGFSZSA-N 306.366 -0.115 30 20 DBED NC(=O)CN1CC[C@@H](NC(=O)CC#Cc2ccccc2)[C@@H](O)C1 1100119339 ILVXLAAVJRZGBC-CABCVRRESA-N 315.373 -0.535 30 20 DBED Cc1cc(C#N)nc(N(C)CCNC(=O)[C@H]2CCCNC2=O)n1 1100185384 XNTKNHGLSGHEPR-LBPRGKRZSA-N 316.365 -0.265 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)CCc2cnc[nH]2)C1 1100391322 GOTOBVBYJZSEFL-UHFFFAOYSA-N 317.393 -0.424 30 20 DBED COCC#CCNC1CC(CNC(=O)[C@H]2CN(C)C(=O)N2)C1 1100563308 CKWGUYVNYHNAAR-WXRRBKDZSA-N 308.382 -0.856 30 20 DBED CCN(CCNC(=O)C[C@H](C)NC(N)=O)c1cnc(C#N)cn1 1100621993 WDMGXHDCGYAGLI-JTQLQIEISA-N 319.369 -0.262 30 20 DBED C[C@]1(CC(=O)NCC2CC(NCC#N)C2)CCS(=O)(=O)N1 1100919837 OKMGYWJRWXSLKJ-GCZXYKMCSA-N 314.411 -0.534 30 20 DBED CCNC(=O)CC(=O)NC[C@@H]1CCN(c2ccnc(C#N)n2)C1 1100975894 QYFZVPUMBFJHIP-NSHDSACASA-N 316.365 -0.183 30 20 DBED N#Cc1cnc(N2CC[C@@H](CNC(=O)Cn3cncn3)C2)cn1 1100981337 CXUJCCDRBIFRJP-NSHDSACASA-N 312.337 -0.418 30 20 DBED CC#CCN1C[C@@H]2CN(C(=O)CN(C)C(=O)COC)C[C@]2(C)C1 1101256434 WRGABWYLZXTXDX-PBHICJAKSA-N 321.421 -0.105 30 20 DBED C[C@@H](CC(N)=O)C(=O)NCCN(c1cncc(C#N)n1)C1CC1 1101430718 MYIJGBNTHLNSNP-JTQLQIEISA-N 316.365 -0.055 30 20 DBED C[C@@H]1CN(C(=O)c2cc[nH]n2)C[C@H]1CCNCC(=O)NCC#N 1103910303 QDHXSQNRBWASPF-VXGBXAGGSA-N 318.381 -0.263 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(c2cnc(C#N)cn2)CCO1 1104297996 KMFAMAVNHRCTDT-CYBMUJFWSA-N 317.349 -0.128 30 20 DBED C#CCCNCc1cn(C2CN(C(=O)[C@H](C)CC(N)=O)C2)nn1 1105301641 TXBUGVRJFNDVNW-LLVKDONJSA-N 318.381 -0.714 30 20 DBED CCNC(=O)CCC(=O)NC[C@H](O)CNc1nccnc1C#N 1105746941 RZXWNDBKGXWOSB-JTQLQIEISA-N 320.353 -0.846 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)Cc2ncc[nH]2)cn1 1105937757 QWPDNBQNAVWFGO-GFCCVEGCSA-N 300.322 -0.192 30 20 DBED C[C@H]1CCCN1CC(=O)NC[C@@H](O)CNc1cnc(C#N)cn1 1106108663 MQTZIFBVHUAHBO-AAEUAGOBSA-N 318.381 -0.278 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)Cc2cnc[nH]2)nn1 1106130583 WSIYFPOHMYYHSU-LLVKDONJSA-N 301.310 -0.797 30 20 DBED Cc1c[nH]c(C(=O)NC[C@@H](O)CNc2cncc(C#N)n2)n1 1106134808 GRKOQJCTBXWULO-JTQLQIEISA-N 301.310 -0.417 30 20 DBED CNC(=O)C1(C(=O)NC/C=C/CN=c2cc[nH]cc2C#N)CC1 1107252996 UXDMHNIPEQYVKX-NSCUHMNNSA-N 313.361 -0.014 30 20 DBED C=CCn1cc(C(=O)NC[C@]2(C)CN(CC#N)CCO2)nn1 1108266767 QQPZVDCSMMKRGO-CQSZACIVSA-N 304.354 -0.192 30 20 DBED CCNC(=O)CCC(=O)N[C@@H](C)CN=c1cc[nH]c(C#N)n1 1108305529 NMFAJTMUHDJEDX-JTQLQIEISA-N 304.354 -0.397 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)c1cnn2cc[nH]c12 1108468466 PPKKPFONUBXCHJ-VIFPVBQESA-N 310.321 -0.024 30 20 DBED C[C@H](CN(C)c1ccnc(C#N)n1)NC(=O)Cc1nc[nH]n1 1109081165 NHBZDZVVZILYQM-SECBINFHSA-N 300.326 -0.350 30 20 DBED C[C@H](CN(C)c1ccnc(C#N)n1)NC(=O)[C@@H]1CC(=O)N(C)C1 1109296690 YVOBDOWIMKBIKA-GHMZBOCLSA-N 316.365 -0.233 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H](NC(=O)Cn1cnnn1)C1CC1 1109775474 LASCGHRIWZFWDZ-CYBMUJFWSA-N 312.337 -0.631 30 20 DBED Cc1ncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCC#N)[nH]1 1110385188 PILAFQCFSWUQII-WZRBSPASSA-N 316.365 -0.307 30 20 DBED C[C@@]1(NC(=O)Cn2ncnn2)CCN(c2cnc(C#N)cn2)C1 1110786086 MVNLMGNHWKHFNA-CYBMUJFWSA-N 313.325 -0.880 30 20 DBED C[C@]1(CNc2ccc(C#N)nn2)CCN(C(=O)CNC(N)=O)C1 1110829157 SDRNCWIWLJZCAA-CQSZACIVSA-N 317.353 -0.333 30 20 DBED N#Cc1nc(=NCCN(CCO)C(=O)CN2CCCC2)cc[nH]1 1111476405 HPVFWIRFZGYKEZ-UHFFFAOYSA-N 318.381 -0.901 30 20 DBED CC1(C)CN(c2cnc(C#N)cn2)CC[C@H]1NC(=O)CC(N)=O 1112371143 GCKQIYZQSITOPJ-LLVKDONJSA-N 316.365 -0.055 30 20 DBED COCCC(=O)NC[C@@H]1CN(c2nccnc2C#N)C[C@@H]1O 1112690166 XRTZOLRJGGHSHD-PWSUYJOCSA-N 305.338 -0.702 30 20 DBED C[C@H](CNC(=O)c1cn(C)nn1)N(C)c1ccc(C#N)nn1 1113581609 XUNTYJNDBBCLKH-SECBINFHSA-N 300.326 -0.269 30 20 DBED C[C@H](CNC(=O)[C@H]1CCC(=O)N1C)N(C)c1ccc(C#N)nn1 1113830608 WZQYESHKZXMHDE-ZYHUDNBSSA-N 316.365 -0.090 30 20 DBED C[C@H](CNC(=O)[C@H]1CNC(=O)N1)N(C)c1ccncc1C#N 1113869695 QVNILTARPKIVNS-MWLCHTKSSA-N 302.338 -0.424 30 20 DBED COC[C@@H](O)CN1C[C@@H]2C(NC(=O)c3cc(C#N)c[nH]3)[C@H]2C1 1114103720 ONECHMDVNITDBP-SRVKXCTJSA-N 304.350 -0.446 30 20 DBED C#CCCCC(=O)NC1[C@@H]2CN(CC(=O)NCCOCC)C[C@@H]12 1114196685 KYZSLFUJVSGNOF-ZIAGYGMSSA-N 321.421 -0.011 30 20 DBED C#CCCN1C[C@@H]2C(NC(=O)C(=O)Nc3cc(C)on3)[C@H]2C1 1115231965 OYVJMVPBWFANBA-QWRGUYRKSA-N 302.334 -0.009 30 20 DBED N#Cc1ccc(NCCCOCCNC(=O)c2cnon2)nn1 1115418814 ZUISXMOLHNHAAQ-UHFFFAOYSA-N 317.309 -0.020 30 20 DBED CN(C(=O)CC(N)=O)[C@H](CNc1cnc(C#N)cn1)C1CC1 1115487369 ZWJQPQOYAUKFRU-LLVKDONJSA-N 302.338 -0.127 30 20 DBED C=CCC1(O)CCN(C(=O)C(=O)N[C@@H]2CCN(C(C)=O)C2)CC1 1119501275 QGDQFUMBQFLEIN-CYBMUJFWSA-N 323.393 -0.347 30 20 DBED COCC#CCNC1CC2(C1)CC(NC(=O)CNC(N)=O)C2 1120605984 ABYWCIFVFLAOTM-UHFFFAOYSA-N 308.382 -0.679 30 20 DBED Cc1cc(C(=O)NC[C@H](CO)Nc2nccnc2C#N)cnn1 1121359543 JOJSOFMGVQGDGY-LLVKDONJSA-N 313.321 -0.351 30 20 DBED Cc1nccn1CC(=O)NC[C@@H](CO)Nc1cncc(C#N)n1 1121599768 VMCFZOBZPIUOHE-LBPRGKRZSA-N 315.337 -0.558 30 20 DBED N#CCOc1ccc(CNCCNC(=O)Cn2cnnn2)cc1 1123306379 WAFRVPXFNOIQIP-UHFFFAOYSA-N 315.337 -0.519 30 20 DBED N#CCSCC(=O)NCCNCC(=O)Nc1cnccn1 1123792375 UYDCIQLASODKMH-UHFFFAOYSA-N 308.367 -0.622 30 20 DBED CN(C[C@@H](O)CNc1cnc(C#N)cn1)C(=O)c1cnn(C)c1 1124029862 JMJPSCMICJSWHP-LBPRGKRZSA-N 315.337 -0.373 30 20 DBED CN(C[C@@H](O)CNc1nccnc1C#N)C(=O)[C@@H]1CCCO1 1124065902 PCGBOOWVPJUBQF-JQWIXIFHSA-N 305.338 -0.242 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]cc1C#N)C(=O)C(C)(C)C(N)=O 1124554478 LSAQYVKRSIDFEJ-NSHDSACASA-N 319.365 -0.882 30 20 DBED C=CCOCC(=O)N(C)C[C@@H](O)CN(C)c1cnc(C#N)cn1 1124987995 FOIRLKYMLCUMCZ-ZDUSSCGKSA-N 319.365 -0.194 30 20 DBED CC(C)NC(=O)NC(=O)[C@H](C)NCCNC(=O)C#CC1CC1 1126886365 QTHXLZQMZOFVIO-NSHDSACASA-N 308.382 -0.272 30 20 DBED C#CCOCCC(=O)NCCNCC(=O)NCc1cccnc1 1127026887 ARPDOCOVQJJRJX-UHFFFAOYSA-N 318.377 -0.557 30 20 DBED COCC(=O)NCCC(=O)NCCNCC#Cc1ccccc1 1128686803 VILTXSAOFDVIPK-UHFFFAOYSA-N 317.389 -0.103 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)C1(F)CCOCC1 1128986003 ATYYCRCZCCBQCC-NSHDSACASA-N 301.362 -0.098 30 20 DBED CN(C)CCCC(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1 1129204978 NLOIVUNHSUYQSX-OLZOCXBDSA-N 305.386 -0.515 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CCCc2nccn21 1129436408 PIGAUNJGJSDNKG-OLZOCXBDSA-N 317.393 -0.396 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)[C@H]2CCCNC2=O)C1=O 1129957721 SADJUJMDAVQRRR-NWDGAFQWSA-N 308.382 -0.995 30 20 DBED N#CCNC(=O)CNCCNC(=O)C[C@H]1CC[C@@H](C2CC2)O1 1131584841 FNOAOLSLJMKREL-OLZOCXBDSA-N 308.382 -0.320 30 20 DBED C#CCNC(=O)CNCCNC(=O)C[C@@H](C)c1cnn(C)c1 1131732244 VLIGNXCAMGBFTD-GFCCVEGCSA-N 305.382 -0.631 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)C1CCOCC1)NCC(=O)NCC#N 1133530695 SCGUGTXCMUYMBT-NWDGAFQWSA-N 310.398 -0.074 30 20 DBED C=CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)CN1CCCC1=O 1133633158 OMMJIZGHOSGOGC-OLZOCXBDSA-N 324.425 -0.216 30 20 DBED N#Cc1ccc(CNCCNC(=O)CN2CC(=O)NC2=O)cc1 1135440571 OERHTRBEUGQMHI-UHFFFAOYSA-N 315.333 -0.684 30 20 DBED C[C@H]1CCC[C@@H](C)N1C(=O)C(=O)NCCNCC(=O)NCC#N 1135914225 ZBZOQYSKLCLQRN-TXEJJXNPSA-N 323.397 -0.879 30 20 DBED C=CCOCCN1CCCO[C@@H](CNC(=O)CNC(C)=O)C1 1149082760 OOQKUQOUMISRLP-AWEZNQCLSA-N 313.398 -0.468 30 20 DBED CC#CCN1CCCO[C@H](CNC(=O)CN2C(=O)CCC2=O)C1 1150685487 NBBJKNGAWHIGAH-CYBMUJFWSA-N 321.377 -0.634 30 20 DBED C#CCO[C@@H](C)C(=O)NCCCNC[C@H]1CCc2ncnn21 1157874472 PNTIIISPUGPBQG-QWHCGFSZSA-N 305.382 -0.100 30 20 DBED COCC#CCNCCCNC(=O)Cc1nnn(C(C)(C)C)n1 1158733299 AURYWCAXZYWIRW-UHFFFAOYSA-N 322.413 -0.284 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCCNCc1nc(O)n[nH]1 1160197921 NXCUSADMKUJJMY-NSHDSACASA-N 306.370 -0.796 30 20 DBED CCS(=O)(=O)N[C@H](C)C(=O)NCCC1(CNCC#N)CC1 1164608218 ATNQHUSQIFFEHI-LLVKDONJSA-N 316.427 -0.286 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)c2ncccn2)C1=O 1168949685 LFIAXWBXAZEWAA-LBPRGKRZSA-N 303.366 -0.027 30 20 DBED COCC#CCN1CCO[C@@H]2CCN(C(=O)c3cnon3)C[C@H]21 1177113493 VUVWOHHZLOUVAG-ZIAGYGMSSA-N 320.349 -0.365 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC[C@@H](NCCN2C(=O)CCC2=O)C1 1182203477 BKGFOIKRFCUWCO-WBMJQRKESA-N 323.393 -0.347 30 20 DBED C#CCCNC[C@@H]1CCN(C(=O)c2nnc(O)nc2O)C[C@@H]1C 1184749505 ZXMQLIOUPSFMAV-QWRGUYRKSA-N 319.365 -0.006 30 20 DBED C#CCNC[C@H]1CN(C(=O)[C@H]2COCCO2)CC12CCOCC2 1186264223 FFONSMGDVABXEI-LSDHHAIUSA-N 322.405 -0.120 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)c2cnn(C)c2OC)C1 1187435726 PBYDWPOHRFUTDJ-GFCCVEGCSA-N 306.366 -0.117 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H]2CCN(C(=O)c3cnco3)[C@@H]2C1 1188706032 HJGDLJOFQGZORW-RWMBFGLXSA-N 316.361 -0.041 30 20 DBED COCC#CCN(C)[C@@H]1CCN(C(=O)[C@H]2OCCO[C@H]2C)C1 1190733231 FAHGECLPEZGRBI-ZNMIVQPWSA-N 310.394 -0.027 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CN(Cc2ccn(C)c(=O)c2)C[C@H]1O 1191853187 CFWDRZFATRMZCQ-RAIGVLPGSA-N 304.350 -0.794 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(CC(=O)N[C@H](C)C2CC2)C[C@H]1O 1192525204 QZWWVCOMZMOBED-BPLDGKMQSA-N 321.421 -0.134 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)CCNC(=O)c2ccncc2)C1 1193483529 XIBZEHUZSZXWMX-ZIAGYGMSSA-N 318.377 -0.451 30 20 DBED C=CCC[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)C(=O)NCC(F)F)C1 1194329023 ICHMEIPTIXNAMZ-GMTAPVOTSA-N 319.352 -0.116 30 20 DBED CN(CC#N)[C@@H]1CCN(C(=O)CCCCCS(N)(=O)=O)C1 1194630204 YGXBGOOQHUZRKD-GFCCVEGCSA-N 316.427 -0.108 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C(C)(C)C2CCC2)C1 1195029655 GRVLVXDEHIGZSM-ZIAGYGMSSA-N 321.421 -0.277 30 20 DBED C=CCCCN1C[C@@H](O)[C@H](NC(=O)c2ccn3nnnc3c2)C1 1195213956 AFQYDHMZURGUIZ-CHWSQXEVSA-N 316.365 -0.135 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)C(=O)NCc2ccc(F)cc2)C1 1196773276 NNYPQXZZJWXVJW-CHWSQXEVSA-N 320.324 -0.873 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@](C)(NC(C)=O)C2CC2)C1 1197752213 JLSLGBYSYYZJPG-IIAWOOMASA-N 307.394 -0.524 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)CCCC(=O)NC(C)C)C1 1197919636 LKJBAYQXRNRCSR-ZIAGYGMSSA-N 309.410 -0.134 30 20 DBED N#CCNC[C@H]1CN(C(=O)c2ccc(C(N)=O)nc2)CCCO1 1202228041 YQWXBZXXIZQWMW-LBPRGKRZSA-N 317.349 -0.475 30 20 DBED C=CCNC(=O)[C@H](C)NC1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1 1202518646 YWAPNNXFZRPSBJ-UHTWSYAYSA-N 322.409 -0.621 30 20 DBED C#CCCCC(=O)N1CCC(CNCC(=O)NC(N)=O)CC1 1205125430 HKWJHBREQNUSFT-UHFFFAOYSA-N 308.382 -0.187 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)[C@@H](C)OCC#C)CC1 1205265435 QEHOXBGJKQOTBT-CQSZACIVSA-N 319.405 -0.398 30 20 DBED Cc1cc(CC(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@H]2C)n[nH]1 1206825274 KGEFEUYDPWDBHG-ZWNOBZJWSA-N 318.381 -0.663 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)c2ocnc2C)C1 1207745950 WMCHMNABAWZPTP-LBPRGKRZSA-N 304.350 -0.073 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2nnc(C)o2)C[C@H]1OC 1212258420 SOPURMNCCWKEMK-RAIGVLPGSA-N 322.365 -0.268 30 20 DBED C=CCCCN[C@@H]1CN(C(=O)C[C@@H]2NC(=O)NC2=O)C[C@H]1C 1214878950 KJUYCIQMSKVUDA-GRYCIOLGSA-N 308.382 -0.013 30 20 DBED C=CCCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1nnn(C)n1 1218446566 BUQPOYKRFUSRLE-NWDGAFQWSA-N 306.370 -0.299 30 20 DBED N#CCSCC(=O)N[C@@H]1CN(CC[C@@H]2CCOC2)C[C@@H]1O 1219216256 FMUIPELQRCQESR-UPJWGTAASA-N 313.423 -0.169 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(Cc2nnc(CC)n2C)C[C@@H]1O 1219362306 VDCIDEATRUUYRS-NEPJUHHUSA-N 323.397 -0.759 30 20 DBED Cn1cc(CN2C[C@H](O)[C@H](NC(=O)C#CC(C)(C)C)C2)nn1 1219598307 SETCOLBTOQQRLE-OLZOCXBDSA-N 305.382 -0.474 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)C2(C3CC3)CC2)C1 1219851579 WCOWKPRIQRINFO-BNOWGMLFSA-N 319.405 -0.524 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)COCc2nnc(C)s2)C1 1219951422 INAVIJAVDPXSLY-MNOVXSKESA-N 312.395 -0.290 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)c2[nH]c(C)nc2C)C1 1220371709 QHNDMXAOJSHNEJ-OLZOCXBDSA-N 306.366 -0.549 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)CC(=O)NCC2CC2)C1 1220719491 DXNZOSHVNIJMDU-NEPJUHHUSA-N 315.801 -0.184 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2[nH]cnc2CC)C1 1220875308 CCBJIQMEEHYLSR-NEPJUHHUSA-N 321.381 -0.951 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3ccnn3C)[C@@H]2C1 1221414256 VNAIFUFDLJFINY-TZMCWYRMSA-N 315.377 -0.684 30 20 DBED C[C@@H]1CC[C@H](C(=O)N2C[C@H]3CCN(CC(=O)NCC#N)C[C@H]32)O1 1221820763 WSZHGCYEWDCWAD-AAVRWANBSA-N 320.393 -0.274 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC(NC(=O)c2cnns2)CC1 1226259308 IJYYPMZZQJYYRS-SNVBAGLBSA-N 321.406 -0.130 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)C[C@](C)(O)C=C)CC1 1227123927 JRARNJXPZCFVQO-MRXNPFEDSA-N 307.394 -0.357 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)[C@H](CC)NC(C)=O)CC1 1229314277 NXINDKVWCPIECZ-AWEZNQCLSA-N 324.425 -0.216 30 20 DBED N#CCN1CCS(=O)(=O)[C@@H](CCNC(=O)c2ccncc2)C1 1230410545 KDXXNVYFZZAXNO-ZDUSSCGKSA-N 322.390 -0.176 30 20 DBED CN(C[C@H]1CCN1CC(=O)NCC#N)C(=O)C[C@@H]1CCOC1 1231342685 PFEFLTAEYLSTNQ-QWHCGFSZSA-N 308.382 -0.415 30 20 DBED C#CCN1CC[C@@H]1CN(C)C(=O)[C@H](Cn1cccn1)N(C)C 1235303141 KMGAISQZFMZHHZ-CABCVRRESA-N 303.410 -0.021 30 20 DBED CS(=O)(=O)c1ccc(C(=O)OCC(=O)NCCC#N)o1 1251836657 CYNHMNIJYHUJLS-UHFFFAOYSA-N 300.292 -0.130 30 20 DBED COCCN(CC(=O)NCCC#N)[C@@H]1CCS(=O)(=O)C1 1319554251 QSEVVIRFNZPVRO-LLVKDONJSA-N 303.384 -0.848 30 20 DBED Cc1cc(NC(=O)C(=O)NCC2(C)OCCO2)nn1CCC#N 1320596652 IUCQCKJSLNBJIY-UHFFFAOYSA-N 321.337 -0.077 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N(C)CC1(O)CCOCC1 1321561668 ZWLCGBMSTMDNPK-UHFFFAOYSA-N 320.411 -0.230 30 20 DBED C#C[C@H](NC(=O)C(=O)NCc1nc(C2CC2)no1)[C@H]1CCCO1 1321891637 XQEUSCUJHGMQQX-WDEREUQCSA-N 318.333 -0.140 30 20 DBED C#CCSCCNC(=O)C(=O)NCc1nnc2n1CCC2 1322971707 VFGIZWFZVZGWMF-UHFFFAOYSA-N 307.379 -0.677 30 20 DBED CN1C[C@H]2CN(C(=O)CCN/C(O)=C3\N=CC=CC3=O)C[C@H]2C1 1324846042 SLBVYVZVNVLVRK-BJUSYEATSA-N 318.377 -0.077 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)NCc1ccc(C(N)=O)o1 1328077568 WKQNBSMRFBPJIL-UHFFFAOYSA-N 321.333 -0.507 30 20 DBED C=CCN(C(=O)C(=O)N(C)CCS(C)(=O)=O)[C@H](C)COC 1329751622 ZBYOIERBQPHIBC-LLVKDONJSA-N 320.411 -0.461 30 20 DBED COCCNC(=O)[C@@H](C#N)C(=O)c1ccnc2c1nnn2C 1342598405 UDMYYBBLUIKBAX-VIFPVBQESA-N 302.294 -0.552 30 20 DBED Cc1nn(CC(=O)OCCOC2(C#N)CCOCC2)c(=O)n1C 1348242253 OGXCQFNAUPFLNS-UHFFFAOYSA-N 324.337 -0.477 30 20 DBED N#CC1CCN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)CC1 1351827070 DSYDZUDPNMAKBW-CQSZACIVSA-N 315.377 -0.053 30 20 DBED COC1([C@H](C)Nc2[nH]c(=O)n(C)c(=O)c2C#N)CCOCC1 1364197979 IFZNXWOCHZSKEF-VIFPVBQESA-N 308.338 -0.059 30 20 DBED CCOC(=O)C[C@@H](O)CN(CCC#N)CCN1CCOCC1 1365287520 QZHHKZLPFWIZLD-CQSZACIVSA-N 313.398 -0.152 30 20 DBED C[C@H](C#N)C(=O)NCCN(CC(=O)NC(=O)NC1CC1)C1CC1 1377518521 MGRCFFFBVDOAQE-SNVBAGLBSA-N 321.381 -0.285 30 20 DBED C[C@@H](CNCC(=O)Nc1cnccn1)CNC(=O)[C@H](C)C#N 1378561829 UHECZQKFJWCQLI-WDEREUQCSA-N 304.354 -0.083 30 20 DBED C[C@H](C#N)C(=O)NCCN1CCN(C(=O)c2cn[nH]c2)CC1 1396888245 GSPXHGMVMCOOSB-LLVKDONJSA-N 304.354 -0.557 30 20 DBED C[C@H](CNC(=O)c1cccn2nnnc12)CNC(=O)[C@@H](C)C#N 1399385765 GEWCTPWXTJFLKY-UWVGGRQHSA-N 315.337 -0.234 30 20 DBED C[C@@H](CNCc1cc(=O)n(C)c(=O)n1C)CNC(=O)[C@H](C)C#N 1401109495 ZEFJXGSKRSLJEL-WDEREUQCSA-N 321.381 -0.914 30 20 DBED COC(=O)[C@H]1CN(C(=O)CNc2ccc(C#N)cn2)CCO1 1412526843 CWZTZVIKFNIHIW-LLVKDONJSA-N 304.306 -0.234 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1C[C@@H](NC(=O)[C@H]2CCNC(=O)C2)C1 1414214086 ADMAYXDHEVVXCU-FIQHERPVSA-N 306.366 -0.317 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](C)CNC(=O)CCN1CCOCC1 1416482423 OXJRKHDSUIMOGC-OLZOCXBDSA-N 310.398 -0.263 30 20 DBED CNC(=O)NCC(=O)NCC1(NC(=O)c2ccc(C#N)[nH]2)CC1 1417155533 ZSEAYGVBIJEVHD-UHFFFAOYSA-N 318.337 -0.806 30 20 DBED C[C@@H](C#N)C(=O)N(C)C1CCN(C(=O)[C@H](C)NC(N)=O)CC1 1443564406 OUHUMMOFQZLGEQ-UWVGGRQHSA-N 309.370 -0.348 30 20 DBED C[C@H](C#N)C(=O)NC1CC2(CC(NC(=O)Cn3cnnn3)C2)C1 1453522818 OOAUYYYJZDWVEW-NJQQVTKISA-N 317.353 -0.624 30 20 DBED CCN(CCNC(=O)[C@@H]1CCc2nncn2C1)C(=O)[C@@H](C)C#N 1455600040 YCEIBCYCIFHAII-NWDGAFQWSA-N 318.381 -0.035 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCN1CCN(C(=O)c2cn[nH]c2)CC1 1456074403 UYDLLGSRLXWUEM-LBPRGKRZSA-N 318.381 -0.214 30 20 DBED Cn1ncc2c(O)nc(CCC(=O)N3CCO[C@H](C#N)C3)nc21 1464838137 CDKHGMMABHHPOU-SECBINFHSA-N 316.321 -0.248 30 20 DBED CC(=O)N(C)CC(=O)N(C)C[C@@H](C)NC(=O)c1c[nH]c(C#N)c1 1487713182 AHMSUGODNRPTQO-SNVBAGLBSA-N 319.365 -0.059 30 20 DBED C[C@H](C#N)C(=O)N(C)CCNC(=O)CCS(=O)(=O)N(C)C 1496111929 SOVKJEPYLBGUAJ-SNVBAGLBSA-N 318.399 -0.998 30 20 DBED CCCC[C@H](NC(N)=O)C(=O)N1CC(CNC(=O)[C@H](C)C#N)C1 1498676961 HDLSCTQFTNTGOM-PWSUYJOCSA-N 323.397 -0.052 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)c2ccc(C(N)=O)cn2)CC1 1506191880 SYKJOOFVZVSADK-SECBINFHSA-N 315.333 -0.281 30 20 DBED C#CCN1CCN(c2nnc(C3=NO[C@H](CO)C3)n2CC)CC1 1520900203 CGCWWYUWSDMYNL-LBPRGKRZSA-N 318.381 -0.462 30 20 DBED C[C@H](CNC(=O)c1cnc2[nH]nnc2c1)CNC(=O)[C@H](C)C#N 1532274085 KNJAYRVXYIZWTC-DTWKUNHWSA-N 315.337 -0.005 30 20 DBED C=C(CCC(=O)OC)C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[nH]1 1573295021 NCIFGRXWZKEKFQ-UHFFFAOYSA-N 316.281 -0.091 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(CCc2cnn[nH]2)C[C@@H]1O 1575110492 RECXUTZSZBPWRP-STQMWFEESA-N 309.370 -0.899 30 20 DBED C[C@H]1CCN(c2cnc(-c3nn[nH]n3)c(C#N)n2)CC[S@@]1=O 1576213567 CUFOFEHDXAMPSI-ZCAPAMDOSA-N 318.366 -0.124 30 20 DBED O=C(C#Cc1cccs1)NCC[C@H]1CNCCS1(=O)=O 1580473845 VQBWBJOFWYDYES-LBPRGKRZSA-N 312.416 -0.008 30 20 DBED N#Cc1ccc(NC(=O)Cn2cnc(-c3nn[nH]n3)cc2=O)cc1 1581873112 QMHMFZKVHBOYEI-UHFFFAOYSA-N 322.288 -0.066 30 20 DBED C#CCN(CC(=O)O)C(=O)NCCCN(C)S(=O)(=O)CC 1588408411 LXYCZLBGDKNJBM-UHFFFAOYSA-N 319.383 -0.613 30 20 DBED C#CCN(CC(=O)O)c1nnc(-c2cnsn2)n1CCOC 1588426304 GZAAYRQIVLKBDX-UHFFFAOYSA-N 322.350 -0.033 30 20 DBED C=CCOC[C@@H](NC(=O)c1ccn(CCN(C)C)n1)C(=O)O 1588861786 MFPUDIIGXVIGBC-GFCCVEGCSA-N 310.354 -0.170 30 20 DBED N#C[C@@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NCc1nc[nH]n1 1592667116 UVIXWPZFECEYQO-LLVKDONJSA-N 323.320 -0.017 30 20 DBED N#Cc1ncc(NCc2nnc3n2CCC3)nc1-c1nn[nH]n1 1592708907 ZEBMVHJWPFFIOB-UHFFFAOYSA-N 309.297 -0.322 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC(CNC(=O)[C@H]3C[C@@H]3C(=O)O)C2)c1 1601084076 GTQSJXQRPUKDHV-QWRGUYRKSA-N 316.317 -0.205 30 20 DBED C=CCOC[C@H](NC(=O)C1(S(C)(=O)=O)CCC1)C(=O)O 1602910274 SWYLTUJQRSPRKE-VIFPVBQESA-N 305.352 -0.274 30 20 DBED C[C@@]1(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[nH]2)CCC(=O)N1 1605432794 ZXXIEBCAARUWNM-NSHDSACASA-N 301.270 -0.931 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N[C@]1(C(=O)O)CCSC1 1609631055 NTIOBYYCSCBFLQ-PSASIEDQSA-N 307.397 -0.127 30 20 DBED C#CCNC(=O)CN1CCC[C@@H](NC(=O)c2n[nH]c(C)c2O)C1 1660814516 LZXSXJHSDCYDFO-LLVKDONJSA-N 319.365 -0.633 30 20 DBED CN1CCCC[C@H]1C(=O)NC[C@@H]1CCCN1CC(=O)NCC#N 1663507814 DHKDYRKFZZICRZ-KBPBESRZSA-N 321.425 -0.309 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)C2(CCOC)CC2)C1 1715003814 DSDZHQNAKLABNC-CYBMUJFWSA-N 307.394 -0.257 30 20 DBED C[C@@H](C#N)C(=O)N(C)C1CCN([C@@H]2CCC(=O)NC2=O)CC1 1752295860 XQCSJBNNTJFCAV-CMPLNLGQSA-N 306.366 -0.126 30 20 DBED CC#CCN1CCN(CCNC(=O)[C@@]2(CC)CCNC2=O)CC1 1752366039 PKKPANMIPIYFQI-KRWDZBQOSA-N 320.437 -0.340 30 20 DBED N#CCN[C@H](CNC(=O)Cn1[nH]cc2c(=O)ncnc1-2)C1CC1 1752491799 VMRMCVIITIUSIU-LLVKDONJSA-N 315.337 -0.921 30 20 DBED CN(CCNC(=O)Cc1cc(C2CC2)no1)CC(=O)NCC#N 1753053013 JGNWWPHIQHMATR-UHFFFAOYSA-N 319.365 -0.218 30 20 DBED C#CCNCC[C@H]1CCCN(C(=O)CNS(=O)(=O)CC)C1 1753547624 FRIJBAHERBSIDB-CYBMUJFWSA-N 315.439 -0.223 30 20 DBED N#CCN1CCC(CCNC(=O)c2nnc(O)nc2O)CC1 1753596050 SGNOWLDHEXKOKK-UHFFFAOYSA-N 306.326 -0.362 30 20 DBED C#CCNC(=O)CNC[C@@H](C)CNC(=O)Cc1cccnc1 1753610236 PNHDYAANKIMHGQ-CYBMUJFWSA-N 302.378 -0.285 30 20 DBED C=CCNC(=O)CNC[C@H](C)CNC(=O)[C@]1(C)CCNC1=O 1753630157 KYXCFZGZCLTOBA-XHDPSFHLSA-N 310.398 -0.843 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@H](C)N(C)C(=O)c1cnnn1C 1753690861 XUWJTPHLKOCYIQ-WDEREUQCSA-N 306.370 -0.997 30 20 DBED CC(=O)Nc1ccc(CC(=O)NC[C@@H](O)CNCC#N)cc1 1753917603 FLPVCHRJFKXMDZ-AWEZNQCLSA-N 304.350 -0.222 30 20 DBED CCN(CCN[C@@H](C)c1nnnn1C)C(=O)CSCC#N 1754034692 QMBLDGPFBCWTFS-JTQLQIEISA-N 311.415 -0.034 30 20 DBED N#CCNC(=O)CNC/C=C\CNC(=O)C[C@H]1CCCOC1 1754207160 NQUJRDSOYPVIQO-UIIMQBOASA-N 308.382 -0.295 30 20 DBED C[C@@H](CC(=O)N[C@H](C)CNCC(=O)NCC#N)c1cnn(C)c1 1754236084 ZTTQHBDDMBJRDF-NWDGAFQWSA-N 320.397 -0.352 30 20 DBED C=CCNC(=O)[C@@H](C)NC[C@H](C)NC(=O)c1coc(C(N)=O)c1 1754277034 QLGCMSLYIJALSJ-VHSXEESVSA-N 322.365 -0.223 30 20 DBED CC#CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)CN(C)CC(=O)NC(C)C 1754426405 RQQDPPOWFNXPNC-JKIFEVAISA-N 320.437 -0.345 30 20 DBED C=CCN1CC[C@@H](NC2(CNC(=O)[C@@H](C)NC(C)=O)CC2)C1=O 1754507820 JWYZACJZVRRTQO-DGCLKSJQSA-N 322.409 -0.464 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC[C@@](C)(NC(=O)CNC(C)=O)C1 1754664062 CWGUNVOSBLILTJ-IAQYHMDHSA-N 310.398 -0.606 30 20 DBED COCC#CCN1CCC[C@H](NC(=O)[C@@H]2CCC(=O)N2)CC1 1755031519 TZCIWCFWGYTKKJ-KBPBESRZSA-N 307.394 -0.115 30 20 DBED Cc1nnc(CC(=O)NC[C@H]2CCC3(CN(CC#N)C3)O2)o1 1755054841 WKDPVKIQBKRQCJ-LLVKDONJSA-N 305.338 -0.206 30 20 DBED C#CCCCC(=O)N1CC[C@]2(C1)CN([C@H](C)C(N)=O)CCO2 1755400151 CUTRJFBISKZLOT-CZUORRHYSA-N 307.394 -0.033 30 20 DBED COCC#CCNC[C@H](C1CC1)N(C)C(=O)c1nnn(C)n1 1755563798 DPWSWUJYRSXNRG-GFCCVEGCSA-N 306.370 -0.700 30 20 DBED C=CC(C)(C)C(=O)N(C)C[C@H](C)NCC(=O)N1CCNC(=O)C1 1755599422 IELIFJMSIUVPOZ-LBPRGKRZSA-N 324.425 -0.407 30 20 DBED C=CCOCC(=O)NC[C@@H](C)N(C)C(=O)[C@H]1COCCO1 1756011637 QWXMLWAREFMRQG-VXGBXAGGSA-N 300.355 -0.433 30 20 DBED C=CCO[C@H](C)C(=O)N1CC([C@H](C)NC(=O)Cc2nc[nH]n2)C1 1756161839 XEIGDTJZBWRMLE-WDEREUQCSA-N 321.381 -0.099 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H](CO)NC(=O)c2cn[nH]c2)nc1 1756538697 RUYNYHNQEZSCMY-LBPRGKRZSA-N 313.317 -0.693 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)[C@@]23COC[C@@H]2C3)C[C@H]1OC 1757120117 MBJYYRUZOMEKLK-VLXAULBPSA-N 324.377 -0.433 30 20 DBED CO[C@@H]1CN(C(=O)c2ccnnc2)C[C@H]1NC(=O)C#CC1CC1 1757127500 IYVWNNRXNNXDEB-ZIAGYGMSSA-N 314.345 -0.154 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@@H](CNC(=O)C(=O)NCC(F)F)C1 1757323797 ZREJSSNWNGEXFT-HLTSFMKQSA-N 316.308 -0.462 30 20 DBED N#CCSCC(=O)N[C@H]1CCN(C(=O)c2cc[nH]c2)C[C@@H]1O 1757563111 SSNOIFFMQPPNIV-RYUDHWBXSA-N 322.390 -0.037 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1n[nH]c(C)c1F)CCO2 1783048306 YPEBYWBEVIMRKM-HNNXBMFYSA-N 320.324 -0.066 30 20 DBED CC1(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)CC1 1783561470 SSYAWYZUXNNDCL-MRXNPFEDSA-N 320.345 -0.296 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(O)O 1792897101 CUHCFILFIKKVJX-YFKTTZPYSA-N 312.366 -0.474 30 20 DBED N#CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1CC1)C2 1795077330 DCMWWOLSCGBWIZ-YWVIFJGQSA-N 301.346 -0.097 30 20 DBED C#CCCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C(O)O)CC2 1828085120 APECVOUZGPXCHM-QMMMGPOBSA-N 323.374 -0.221 30 20 DBED O=C(C#Cc1ccccc1)N1CCN(C(=O)Cn2cnnn2)CC1 81654145 ZYUPMDJPPNSRGO-UHFFFAOYSA-N 324.344 -0.604 30 20 DBED COCCN1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)C[C@@H]1C 105791079 GWSFRXCHXHDPHP-NSHDSACASA-N 321.381 -0.887 30 20 DBED C[C@@H](O)C(=O)N1CCN(CC(=O)N[C@@](C)(C#N)C2CC2)CC1 152941235 XLBIBXQQNIWJRL-ABAIWWIYSA-N 308.382 -0.680 30 20 DBED CN1CCN(S(=O)(=O)Cc2ccc(C#N)cc2)[C@@H](CN)C1 226608474 BHNNGFXRBKJOIF-AWEZNQCLSA-N 308.407 -0.037 30 20 DBED COC(=O)[C@H](NS(=O)(=O)c1ccc(F)c(C#N)c1)[C@H](C)O 274317451 CEZDJBGSKVVPAC-WRWORJQWSA-N 316.310 -0.102 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)Nc1ccn(CC(=O)OC)n1 275825051 RRERWYCGOQJYQZ-VIFPVBQESA-N 309.326 -0.132 30 20 DBED C=CCNC(=O)CNC(=O)[C@@](C)(O)Cn1ccc(C)cc1=O 279861394 QAXOOHYASGORKA-HNNXBMFYSA-N 307.350 -0.674 30 20 DBED C=C[C@H](CO)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 290591952 MJWYAGHBZACMOE-CMPLNLGQSA-N 323.374 -0.112 30 20 DBED Cn1c(NC/C(O)=N/CC2CC2)nc2c1c(O)nc(=O)n2C 329497614 XPXKUHUIXGUHTA-UHFFFAOYSA-N 306.326 0.151 30 20 DBED CCN1CCN(C/C(O)=N/CC2(O)CCOCC2)C(=O)C1=O 330112965 RXYZWJAGXYIXRE-UHFFFAOYSA-N 313.354 -0.825 30 20 DBED COCCN1CCN(S(=O)(=O)N(C)C[C@H](C)C#N)C[C@@H]1C 330376571 DOIOZNSAXDCLRP-OLZOCXBDSA-N 318.443 -0.025 30 20 DBED C[C@@H](O)CN1CCN(S(=O)(=O)N(C)C[C@@H](C)C#N)CC1 337154482 MXRLKDHJJMLWSN-NWDGAFQWSA-N 304.416 -0.679 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1 337764433 LTWIEXSDPYDOGW-UTLUCORTSA-N 304.372 -0.912 30 20 DBED C[C@@H](C#N)CN(C1CC1)S(=O)(=O)N1CCS(=O)(=O)CC1 338326011 UBQVTYBUQPEWRB-JTQLQIEISA-N 321.424 -0.414 30 20 DBED C=CCCOCCNC(=O)C(=O)N1C[C@H](C)O[C@H](CO)C1 342006524 PTSZSCRGTICXES-RYUDHWBXSA-N 300.355 -0.697 30 20 DBED N#Cc1ncn(CCNS(=O)(=O)c2ccc(C(N)=O)cc2)n1 352632995 JNVNAPOCDSQSKZ-UHFFFAOYSA-N 320.334 -0.773 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCCN(C)C1=O 354039971 VKXFTDCDRSFPBN-UPJWGTAASA-N 323.393 -0.179 30 20 DBED COC1CN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 354408232 WJKOGZVUFCXYHL-UHFFFAOYSA-N 309.347 -0.306 30 20 DBED C[C@](O)(CNC(=O)NCCn1cnc(C#N)n1)C(F)(F)F 357887324 YWIHBZGNFABIQH-VIFPVBQESA-N 306.248 -0.238 30 20 DBED Cc1c(C#N)cccc1NC(=O)C(=O)N1CCO[C@H](C(N)=O)C1 366523809 RDUSPBHNRFIUDH-LBPRGKRZSA-N 316.317 -0.482 30 20 DBED CC(C)[C@H](C#N)N1CCN(C(=O)CN2C[C@@H]3[C@@H](CO)[C@@H]3C2)CC1 368636420 IAROECGXCCLMNU-JJXSEGSLSA-N 320.437 -0.151 30 20 DBED COC(=O)[C@H]1C[C@H](OC)CN1CC(=O)N(CCC#N)CCC#N 371660620 RMJZMGLBLBLPRA-QWHCGFSZSA-N 322.365 -0.095 30 20 DBED C=C[C@@H]1OCCC[C@H]1NC(=O)NCCS(=O)(=O)N(C)C 454988972 WXQDAFRHZUUHFE-MNOVXSKESA-N 305.400 -0.089 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2ccnnc2C)CC1 491046128 OPTQVMXOJOAPPL-UHFFFAOYSA-N 301.350 -0.708 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2ccc(C)n2C)CC1 491071314 JPMASMCIUMXETM-UHFFFAOYSA-N 302.378 -0.159 30 20 DBED C#CCN1CCN(C(=O)CN2CC[S@@](=O)CC2(C)C)CC1 491164592 CPEQFQQFTAMYFJ-OAQYLSRUSA-N 311.451 -0.393 30 20 DBED C#CCNC(=O)C1CCN(C(=O)N[C@@H](C)C(=O)N(C)C)CC1 491200569 BBBHFBHPXCTMFY-NSHDSACASA-N 308.382 -0.366 30 20 DBED C#CCN1CCN(C(=O)CN2CC[S@](=O)[C@H](C)[C@H]2C)CC1 491747963 XDKJLZQSUHLBAG-LKBUQDJMSA-N 311.451 -0.395 30 20 DBED CNS(=O)(=O)[C@H]1CCN([C@@H](C)C(=O)NC2(C#N)CCC2)C1 527048380 WQPFJKJVHGOBQM-QWRGUYRKSA-N 314.411 -0.439 30 20 DBED CC#CC[C@@H](CO)NC(=O)[C@@](C)(O)Cn1ccc(C)cc1=O 649182080 OVGQNEFZJZNUJJ-BBRMVZONSA-N 306.362 -0.202 30 20 DBED C#CCCCS(=O)(=O)NC1CCN(CC(=O)NC)CC1 710307875 BZBYJVPTMCLLHO-UHFFFAOYSA-N 301.412 -0.470 30 20 DBED C#Cc1ccc(C(=O)NCC(=O)NCCN2CCOCC2)cn1 732157858 IYHJUAKCVYTAJI-UHFFFAOYSA-N 316.361 -0.759 30 20 DBED CNC(=O)[C@@H](O)CNS(=O)(=O)c1ccc(C#N)c(Cl)c1 757729411 TVMBYPPKOOECTJ-JTQLQIEISA-N 317.754 -0.403 30 20 DBED C[C@@H](Oc1ccc(C#N)cc1)C(=O)NS(=O)(=O)CC(N)=O 766925593 DBRXAVDRZLWJDF-MRVPVSSYSA-N 311.319 -0.743 30 20 DBED Cn1ncc2c(NN=Cc3cn(CC(=O)O)nn3)ncnc21 768484811 XJYBPQBZFRETTC-UHFFFAOYSA-N 301.270 -0.515 30 20 DBED C#C[C@H](NC(=O)CN1CCS(=O)(=O)CC1)[C@H]1CCCO1 772885801 ZDCTVGKGEKBQFV-NWDGAFQWSA-N 300.380 -0.986 30 20 DBED Cc1nn(C)c(N2CCN(CCS(N)(=O)=O)CC2)c1C#N 788274393 HCCOFSNVTWADQT-UHFFFAOYSA-N 312.399 -0.989 30 20 DBED C#CCNC(=O)COC(=O)Cc1ccccc1S(C)(=O)=O 792563658 HGNOGMQTWWNPFA-UHFFFAOYSA-N 309.343 -0.075 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@H](C)[C@H]1CN(C)CCO1)[C@@H]1CCCO1 809311426 HTBJSSQKPDHFEG-ZOBORPQBSA-N 323.393 -0.881 30 20 DBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NC1(CCO)CC1 817132458 XVFDXYCNHQARRB-UHFFFAOYSA-N 323.374 -0.244 30 20 DBED COc1cccc([S@](=O)CC(=O)OCC(=O)NCC#N)c1 821353350 SQLCSXZBERXDMU-OAQYLSRUSA-N 310.331 -0.014 30 20 DBED C=CCCSCCNC(=O)C(=O)NCCS(C)(=O)=O 827087511 OFTWXPXWPFQYOV-UHFFFAOYSA-N 308.425 -0.427 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@]2(C)CCOC2)CC1 831568748 QOTNNJMXNUALLO-CYBMUJFWSA-N 315.395 -0.975 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC(n2cc(C(=O)O)nn2)C1 833363914 AKPJRQFMDVNTKT-LBPRGKRZSA-N 303.322 -0.543 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCCN(C=O)CC1 848459140 ZGSHFGZYJWIZBG-LBPRGKRZSA-N 302.400 -0.123 30 20 DBED C#CCN1CCN(C(=O)CN2C(=O)[C@H]3CC[C@@H](C3)C2=O)CC1 853756672 MFEQNWHVYZMJIZ-STQMWFEESA-N 303.362 -0.451 30 20 DBED C[C@H](C(=O)N[C@@H]1CCCN(O)C1=O)n1cnc2c(N)ncnc21 854648410 CSQPBDHMXIMRAL-HTQZYQBOSA-N 319.325 -0.534 30 20 DBED C#CCSCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)OCC 890277026 GTKHNGZCTDJUDB-UWVGGRQHSA-N 300.380 -0.075 30 20 DBED C#CC[C@H](CO)NC(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O 918096880 ZDFBZPBTYBCUMD-RKDXNWHRSA-N 307.272 -0.167 30 20 DBED C=C(Cl)CN1CC(N2CCN(C(=O)Cn3cncn3)CC2)C1 941657892 OBAKZVZKCPLTKW-UHFFFAOYSA-N 324.816 -0.141 30 20 DBED C=CC(C)(C)C(=O)N1CCO[C@@H](CNC(=O)[C@@H]2CCNC2=O)C1 944704699 SWCOCMDBDWLLBW-NWDGAFQWSA-N 323.393 -0.322 30 20 DBED Cc1ncc(C(=O)NC[C@H]2CN(C(=O)[C@H](C)C#N)CCO2)n1C 944733350 JSWQYNQIRBZBET-PWSUYJOCSA-N 319.365 -0.155 30 20 DBED Cn1nncc1C(=O)N1CC[C@H]1CNC(=O)c1cc(C#N)c[nH]1 949282870 BATRMNCABHPJJN-JTQLQIEISA-N 313.321 -0.341 30 20 DBED CCN(C(=O)C1CC2(C1)CS(=O)(=O)C2)C1CN(CC#N)C1 950614908 LCTDUWSVPSMVDQ-UHFFFAOYSA-N 311.407 -0.133 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H](NC(=O)CN2C(=O)CCC2=O)C1 951872247 IJZLHWAYKGHGIP-WDEREUQCSA-N 320.349 -0.598 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@]2(CCN(C(=O)Cn3cnnn3)C2)C1 953086476 LWURDSQVZBOCBH-BXUZGUMPSA-N 317.353 -0.716 30 20 DBED CC#CCN1CCN(C(=O)Cn2nc3n(c2=O)CCCC3)CC1 957099745 XJCNDLDDYCVJDP-UHFFFAOYSA-N 317.393 -0.451 30 20 DBED Cn1ncc(CN2C[C@H]3C(NC(=O)c4c[nH]c(C#N)c4)[C@@H]3C2)n1 958618020 NEOYAZSBYUGIJD-CHWSQXEVSA-N 311.349 -0.125 30 20 DBED C#CCCN1C[C@H]2[C@H](NC(=O)c3cnc(O)n(C)c3=O)[C@H]2C1 961464318 CJXWRTPQNKORGP-GDNZZTSVSA-N 302.334 -0.831 30 20 DBED C#Cc1cncc(C(=O)NC2[C@H]3CN(Cc4nnn(C)n4)C[C@H]23)c1 961709241 AUWSKTDGDSCKSV-STQMWFEESA-N 323.360 -0.553 30 20 DBED CC#CCN1C[C@H]2C(NC(=O)c3cn([C@H]4CCOC4)nn3)[C@@H]2C1 962227670 GORHGLMHXKCGIR-YNEHKIRRSA-N 315.377 -0.077 30 20 DBED C=C(C)CN1C[C@@H]2C(NC(=O)CN3C(=O)NC(C)(C)C3=O)[C@H]2C1 962447435 BVSMQZHLUAWKTC-QWRGUYRKSA-N 320.393 -0.061 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C2CN(C(=O)C#CC3CC3)C2)CC1 967243660 HREMISBLWDGUPQ-ZDUSSCGKSA-N 314.389 -0.086 30 20 DBED C#CCCN1CC[C@H](C)[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)C1 968537706 DREXTALOJBOSOX-STQMWFEESA-N 320.393 -0.270 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@H](NC(=O)c2cn(C)c(O)n2)C1 970326683 AGWKSQUHWQFBFQ-KOLCDFICSA-N 322.365 -0.361 30 20 DBED C=CCN1C[C@H]2CC[C@H]1CN2C(=O)CN1C(=O)C(=O)N(C)C1=O 971886861 KCPSQCJDGBJUTO-WDEREUQCSA-N 320.349 -0.732 30 20 DBED C=CCCN1C[C@H]2CC[C@H]1CN2C(=O)c1cn(CC(N)=O)nn1 972146912 OXFGHXTWUUOZMT-NWDGAFQWSA-N 318.381 -0.372 30 20 DBED C#CCN[C@H]1CCC[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)C1 981458494 YXFGKDMMXUMOCW-QWRGUYRKSA-N 314.349 -0.319 30 20 DBED C[C@@]12CN(CC#N)C[C@]1(C)CN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)C2 982552871 FNIGOXRMROTTEO-SHUKQUCYSA-N 320.393 -0.287 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC(NC(=O)c2cn[nH]c2)C1 990324205 MIJUICJFJLVHGI-ZDUSSCGKSA-N 301.350 -0.552 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(C)=O)C[C@@H]2n2ccnn2)cn1 990914859 QEWINBQNDHMYEJ-CABCVRRESA-N 324.344 -0.144 30 20 DBED N#Cc1ccc(C(=O)N2CCC(N[C@@H]3CCNC3=O)CC2)[nH]1 991241639 MWNBOKNQOZWEQG-GFCCVEGCSA-N 301.350 -0.031 30 20 DBED N#CCN[C@@H]1CCC[C@@H]2CN(C(=O)CN3C(=O)CCC3=O)C[C@H]21 992916299 NKINRBAOFMEQCU-JHJVBQTASA-N 318.377 -0.124 30 20 DBED C#CCN[C@H]1CN(C(=O)CCn2cc[nH]c(=O)c2=O)CC1(C)C 996417676 JIVZWTLLUOIOPT-LBPRGKRZSA-N 318.377 -0.614 30 20 DBED C#CCCN1CCC([C@H](C)NC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 997778956 HNKOPVQPWQEKLT-AAEUAGOBSA-N 320.393 -0.176 30 20 DBED C=CCCN1CCC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C1 1009631456 CMGZYUAIERDORR-LLVKDONJSA-N 306.370 -0.466 30 20 DBED C[C@H]1C[C@@H](NC(=O)c2cnn(C)n2)CN1C(=O)C#CC1CC1 1012579982 AUVQWKRBMUKLHF-CMPLNLGQSA-N 301.350 -0.052 30 20 DBED C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCCN1C(=O)CC(N)=O 1014878957 QGQOROZGFCZIDS-KOLCDFICSA-N 317.349 -0.129 30 20 DBED C=CCn1cc(C(=O)N2[C@H]3CC[C@H]2CN([C@@H](C)C(N)=O)C3)nn1 1018038575 QYVIKOQYAUNKIT-SRVKXCTJSA-N 318.381 -0.373 30 20 DBED C[C@@H](C#N)C(=O)N1CCCO[C@@H](CNC(=O)c2ccncn2)C1 1019654349 TZZQOEKJIRZGNR-RYUDHWBXSA-N 317.349 -0.016 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)[C@H]2CCCC(=O)N2)[C@@H]1C 1020538320 DKDKYVFYNXRGNA-FIQHERPVSA-N 306.366 -0.080 30 20 DBED Cc1n[nH]c(C)c1C(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1O 1025090105 OSFZCZMDVHKJPX-WHGOUJPWSA-N 305.338 -0.512 30 20 DBED CC#CCN1CCC[C@H]1CNC(=O)[C@@H]1CCN(C)S1(=O)=O 1028196588 OCTGAGYPAXFLBQ-STQMWFEESA-N 313.423 -0.376 30 20 DBED N#CCN1CC[C@H](CNC(=O)c2cnn3c(=O)cc[nH]c23)C1 1028853435 MQWBXDXJOJAAIO-SNVBAGLBSA-N 300.322 -0.402 30 20 DBED C=CCCN1CC[C@@H](CNC(=O)C2CC3(C2)NC(=O)NC3=O)C1 1028864793 RZBQMNUMINMXBL-FZWSLVFFSA-N 320.393 -0.011 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)c3cn(C)cn3)C2)C1=O 1030219264 UJSKTKVVCWCEFT-ZDUSSCGKSA-N 303.366 -0.379 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)[C@@]3(C)CNC(=O)C3)C2)C1=O 1030729156 PGSKFXURPKZCGE-BLLLJJGKSA-N 320.393 -0.900 30 20 DBED CC#CCN1CC[C@@H](N(C)C(=O)CN2C(=O)NC(C)(C)C2=O)C1 1033637399 MXQJWHAXXSNDGO-GFCCVEGCSA-N 320.393 -0.127 30 20 DBED CCN(C(=O)[C@H]1CC(=O)N(CCOC)C1)[C@@H]1CCN(CC#N)C1 1033855228 YXSUPNYNMVNOPX-UONOGXRCSA-N 322.409 -0.072 30 20 DBED CC#CCN1CCO[C@H](CNC(=O)c2ccc(C(N)=O)nc2)C1 1035620115 DRGRPTKSZQUAGE-CYBMUJFWSA-N 316.361 -0.366 30 20 DBED C#CCCN1C[C@H]2C[C@H]1[C@H]2NC(=O)Cc1c(C)nc(O)nc1O 1037634504 GQCVQCMQBKZHLV-OSMZGAPFSA-N 316.361 -0.049 30 20 DBED CC[C@H]1CN(C(=O)Cn2nc(C)n(C)c2=O)CC[C@@H]1NCC#N 1037963224 PPLKCPHDBJHNGQ-STQMWFEESA-N 320.397 -0.370 30 20 DBED O=C(C#CC1CC1)NC[C@@]1(O)CCN(C(=O)c2cocn2)C1 1039678509 XXFYIEYYNAHSEV-HNNXBMFYSA-N 303.318 -0.219 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)C2CCN(C)CC2)C1 1040211668 JDJHHLMDBVFUGQ-WBMJQRKESA-N 322.409 -0.433 30 20 DBED C[C@@H]1CN(C(=O)CC(N)=O)CC[C@H]1CN=c1cc[nH]c(C#N)n1 1040397775 ABUCATNNORXOQY-MNOVXSKESA-N 316.365 -0.458 30 20 DBED N#Cc1ccc(N2C[C@@H]3CCN(C(=O)Cn4ncnn4)[C@@H]3C2)nc1 1040723641 NGIDGWWCBJHZNS-QWHCGFSZSA-N 324.348 -0.323 30 20 DBED COCCn1cc(C(=O)N2CC[C@@]3(CCN(CC#N)C3)C2)nn1 1041273669 ORXPNUVRVSFNJZ-OAHLLOKOSA-N 318.381 -0.014 30 20 DBED C=CCCCC(=O)N1CC(O)(CNC(=O)CC(=O)NCC)C1 1042681996 CMRCDNRDBNWFEX-UHFFFAOYSA-N 311.382 -0.442 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)C23CCN(CC2)C3)C1 1042938321 VFPLXHNMRHIEKL-UHFFFAOYSA-N 319.405 -0.569 30 20 DBED C[C@H]1C[C@@H](C(=O)N2CC(O)(CNC(=O)C#CC3CC3)C2)CO1 1042963489 NXAKHLPJBJVDGO-WCQYABFASA-N 306.362 -0.486 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)[C@@H](C)SC)C1 1043033218 UIOSUWJKNZBGAC-LLVKDONJSA-N 314.407 -0.533 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)c2cnc(C)[nH]2)C1 1043040866 YLRSNIYZONAZET-SNVBAGLBSA-N 320.349 -0.940 30 20 DBED C[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1N=c1cc[nH]c(C#N)n1 1043086532 LXYRLRXIWJGGJU-NXEZZACHSA-N 323.378 -0.926 30 20 DBED N#Cc1ccc(C(=O)N2CC(O)(CNC(=O)c3cc[nH]c3)C2)[nH]1 1043384404 CLBSSCFSPYFVRZ-UHFFFAOYSA-N 313.317 -0.169 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)C2(NC(N)=O)CC2)C1 1044455480 FAIONHQJVNMZNL-UHFFFAOYSA-N 324.381 -0.911 30 20 DBED C#CCCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1045010953 ZOBNSBQCCQPYIG-NHAGDIPZSA-N 320.389 -0.238 30 20 DBED C=C1CCC(C(=O)NCC2(O)CN(C(=O)c3nc[nH]n3)C2)CC1 1045768538 IIGCGWMJRNEJOA-UHFFFAOYSA-N 319.365 -0.146 30 20 DBED N#CCN1CC[C@H](N2CCN(C(=O)C[C@@H]3CCNC3=O)CC2)C1 1046036011 YPBRCTDIWFKGLB-KBPBESRZSA-N 319.409 -0.745 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCC1(O)CN(C(=O)c2cc[nH]c2)C1 1046823979 KTDFEEHMJUBFNV-OLZOCXBDSA-N 319.361 -0.091 30 20 DBED CC(C)n1ccc(C(=O)NCC2(O)CN(C(=O)[C@@H](C)C#N)C2)n1 1046940171 WBOOQZBWZMFQII-NSHDSACASA-N 319.365 -0.073 30 20 DBED CN(C)C(=O)CN1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C#N)c[nH]2)C1 1047337851 KXRBLQSAKSINPW-STQMWFEESA-N 319.365 -0.908 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCS(=O)(=O)C2)C1 1047550126 PXLVMZJMGJQUEQ-AVGNSLFASA-N 316.423 -0.499 30 20 DBED C=CCCOCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(N)=O)C2 1047580472 XSYFGYLGUKFQAN-SRVKXCTJSA-N 309.366 -0.440 30 20 DBED C#CCN1CCC(C(=O)N(C)[C@H]2CN(CCCO)C[C@@H]2O)CC1 1047638541 XSJNBZDOJPYXQB-HOTGVXAUSA-N 323.437 -0.783 30 20 DBED C=CCOCC(=O)N(C)[C@H]1CN(C(=O)c2nonc2C)C[C@@H]1O 1048557478 DSADJNBDYDRYJN-QWRGUYRKSA-N 324.337 -0.776 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CN(CCN3CCNC3=O)C[C@@H]2C1 1048725090 NKUKHBBMRGAHAR-RWMBFGLXSA-N 305.382 -0.439 30 20 DBED Cc1ncoc1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)C#N)C1 1049389213 USXQFBMEKMZSHF-MIMYLULJSA-N 306.322 -0.214 30 20 DBED C=CCN1CCOC[C@H]1CNC(=O)c1cn(CCOC)nn1 1050912037 YSGINKSBZNKIEW-GFCCVEGCSA-N 309.370 -0.459 30 20 DBED CC#CCN1CCOC[C@H]1CNC(=O)[C@@H]1CN(C(C)=O)CCO1 1051230970 MXJBCTLBEFDYPO-CABCVRRESA-N 323.393 -0.926 30 20 DBED C=CCOCC(=O)N[C@@H](C)[C@@H]1CCN(C(=O)Cc2nc[nH]n2)C1 1051643750 JHZZJKSQHXEDPQ-NWDGAFQWSA-N 321.381 -0.097 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2cn(C)nn2)C[C@@H]1C 1052501409 AXAOFMLHXZYYKS-RYUDHWBXSA-N 321.381 -0.158 30 20 DBED C#CCN1CC2(C1)CN(C(=O)[C@H](C)N1C(=O)CCC1=O)CCO2 1053280666 GSNGNUSBYHPKEW-LBPRGKRZSA-N 319.361 -0.930 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@@H]1C 1053301668 WPYSRWWIWCHPOK-NWDGAFQWSA-N 323.393 -0.335 30 20 DBED C=CCN1CC2(C1)CN(C(=O)CCc1cn(C)nn1)CCO2 1053551853 IBQLFUAZEHPOCR-UHFFFAOYSA-N 305.382 -0.153 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)C[C@@H]3CCC(=O)N3C)CO2)C1 1053889171 CMEZQOZIWFLJKZ-OLZOCXBDSA-N 305.378 -0.410 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)Cn3c(C)csc3=O)CO2)C1 1054004663 SWUWEUGEDPGCLH-GFCCVEGCSA-N 321.402 -0.189 30 20 DBED C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1NCc1nnn(C)n1 1054545908 DSASUTWWMRULJO-BXKDBHETSA-N 314.353 -0.340 30 20 DBED N#Cc1cnc(N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)Cn2nccn2)cn1 1055396260 LVCDBWDHJINUFO-UPJWGTAASA-N 324.348 -0.134 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)[C@@H](C)CC(N)=O)C[C@@H]2C1 1055415871 KHZPUNIVNNLLDC-FIQHERPVSA-N 306.366 -0.426 30 20 DBED N#Cc1cnc(N2CCN(C(=O)c3cnnc(O)c3)CC2)cn1 1055932177 MFOGXDPGJASUCM-UHFFFAOYSA-N 311.305 -0.194 30 20 DBED N#Cc1cncc(N2CCN(C(=O)[C@@H]3CC[C@@H]3C(N)=O)CC2)n1 1055974019 QXHSLACLJLBDKP-NWDGAFQWSA-N 314.349 -0.492 30 20 DBED C[C@]1(C(=O)N2CCN(c3cncc(C#N)n3)CC2)CCNC1=O 1056018667 KCMVTHUUTUSNHL-HNNXBMFYSA-N 314.349 -0.477 30 20 DBED Cn1cncc1CC(=O)NC1[C@H]2CN(c3cncc(C#N)n3)C[C@H]12 1056252223 BLDLHUCLBWBOQS-STQMWFEESA-N 323.360 -0.125 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CCCN(C(=O)CCNC(N)=O)[C@@H]2C1 1056665373 TVHJLLJMAQSKQU-GRYCIOLGSA-N 321.381 -0.346 30 20 DBED CN1C[C@H](C(=O)N2CC[C@@H](Nc3ccc(C#N)cn3)C2)NC1=O 1056745416 YMBFHZUYKQHCKR-VXGBXAGGSA-N 314.349 -0.010 30 20 DBED CCc1nc(C#N)cc(N(C)[C@@H]2CCN(C(=O)C(N)=O)C2)n1 1057010646 AXOLXFMVAZVDEB-SNVBAGLBSA-N 302.338 -0.567 30 20 DBED CO[C@@H](C)C(=O)N(CCO)CCNC(=O)c1c[nH]c(C#N)c1 1057112474 LXWIATUAPLNDFK-JTQLQIEISA-N 308.338 -0.528 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)[C@@H](C)c1ccnn1C 1057731192 QREXBROXAUNXEB-RYUDHWBXSA-N 321.381 -0.380 30 20 DBED N#Cc1nccnc1N1CCC(NC(=O)Cc2nc[nH]n2)CC1 1057900923 ZIDRPRZJCLYCRM-UHFFFAOYSA-N 312.337 -0.206 30 20 DBED CCn1cnc(C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N)c1 1058164704 AEIYZRCBHYDIAR-NSHDSACASA-N 307.354 -0.387 30 20 DBED Cn1nnc(C(=O)N[C@@H]2CCCN(c3ccc(C#N)nc3)C2)n1 1058219326 QBDLRAZZJDPHNF-LLVKDONJSA-N 312.337 -0.124 30 20 DBED C=CCCCC(=O)N(CCO)CCNC(=O)CC(=O)N(C)C 1058624818 KRYAPPOEHPEGKH-UHFFFAOYSA-N 313.398 -0.242 30 20 DBED O=C(C#CC1CC1)NCCN(CCO)C(=O)CCc1cnn[nH]1 1058870940 USOCJWNOLFPPTE-UHFFFAOYSA-N 319.365 -0.912 30 20 DBED N#Cc1cnc(N[C@H]2C[C@@H](NC(=O)[C@H]3CCNC3=O)C2)cn1 1059781492 AITSDYAHMSSBOA-NGZCFLSTSA-N 300.322 -0.457 30 20 DBED C#CCCCC(=O)N1CCOC[C@H]1CNC(=O)CNC(C)=O 1061215838 AQVMCTXKUVMMLF-CYBMUJFWSA-N 309.366 -0.730 30 20 DBED C=CCOCC(=O)NC[C@H]1COCCN1C(=O)CCCOC 1061420648 BJDDOQKOTYUOFO-ZDUSSCGKSA-N 314.382 -0.041 30 20 DBED N#Cc1cnc(N2CCC[C@@H]2CNC(=O)[C@H]2CCNC2=O)cn1 1061422346 GPZQKYGRXHVVSX-NEPJUHHUSA-N 314.349 -0.431 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCOC[C@@H]1CNC(=O)c1ncc[nH]1 1061557787 CLNFGRKYYOAXQA-NHYWBVRUSA-N 322.365 -0.306 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H]1CN(C(=O)C(F)F)CCO1 1064722815 NXVDNLRKGMETCT-UWVGGRQHSA-N 304.293 -0.367 30 20 DBED Cc1cc(C(=O)N2CCO[C@@H](CNC(=O)[C@H](C)C#N)C2)nn1C 1064919538 LALLRKCHKORCGT-PWSUYJOCSA-N 319.365 -0.155 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CN(C(=O)C2=CCOCC2)CCO1 1065075855 QRXOQEKDAMCGRU-DGCLKSJQSA-N 307.350 -0.164 30 20 DBED C#CCCCCCC(=O)N1CCO[C@H](CNC(=O)C(N)=O)C1 1065431822 VXPNBJIQQJBCBA-GFCCVEGCSA-N 309.366 -0.601 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(C(=O)[C@]2(F)CCOC2)CCO1 1065501226 BUTZBTQDRDRZGV-CJNGLKHVSA-N 324.352 -0.128 30 20 DBED CN(C(=O)c1ccon1)[C@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1065564338 GKKGNNHUENGCNX-RYUDHWBXSA-N 314.305 -0.342 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H](NC(=O)CCn2cnnn2)CC1 1066442754 FEGPKJWDXAESSG-NEPJUHHUSA-N 319.369 -0.280 30 20 DBED C[C@H]1CN(C(=O)Cn2cnnn2)C[C@H]1Nc1ccc(C#N)nn1 1067042240 MUHKBOJJSWCPIF-GXSJLCMTSA-N 313.325 -0.706 30 20 DBED N#Cc1cnc(N2C[C@H](CNC(=O)c3cocn3)[C@@H](O)C2)cn1 1067653509 LGMNKVSTOBLUAY-CABZTGNLSA-N 314.305 -0.437 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@@H](CNC(=O)c3ccon3)C2)nn1 1067653678 NFIMSWAUZCWAFR-JOYOIKCWSA-N 314.305 -0.437 30 20 DBED N#Cc1nc(=NC[C@H]2C[C@H](NC(=O)[C@@H]3[C@H]4COC[C@H]43)C2)cc[nH]1 1068565414 HEMPQJNKXSOTBA-ZODDKARTSA-N 313.361 -0.031 30 20 DBED C=CC(C)(C)CC(=O)N[C@@H]1COC2(C1)CN(C(=O)C(N)=O)C2 1068882540 GDDJQBNEWSYOCH-JTQLQIEISA-N 309.366 -0.440 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)Cn2nccn2)CCOCC1 1070128489 QALCSXNVILJMCA-NSHDSACASA-N 320.353 -0.781 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCCN(C(=O)[C@@H](C)OC)C1 1070494390 UWAJSNDKVXQQMB-VXGBXAGGSA-N 309.366 -0.732 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)[C@@H]4CCC(=O)NC4)C[C@@]3(C1)O2 1070818641 KRCCZDJHKINRDF-VMUDFCTBSA-N 317.389 -0.553 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)c2cnsn2)CC1 1070943253 HQQGSWCPDDSMFA-UHFFFAOYSA-N 309.395 -0.012 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)[C@@H]2CCN(C)C2)CC1 1071021841 IRQSSAJMLWYXHI-CQSZACIVSA-N 306.410 -0.778 30 20 DBED C#CCN1CCC(C(=O)N[C@H]2CC[C@H](C)N(CC(N)=O)C2)CC1 1072098790 FYRIOMZEHKIAQX-ZFWWWQNUSA-N 320.437 -0.214 30 20 DBED C[C@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1NC(=O)C#CC1CC1 1072635000 CNZWPBPAISLFMR-CMPLNLGQSA-N 303.362 -0.372 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC2(CCN([C@@H](C)C(N)=O)C2)C1 1072823040 ZWGSDSRTKXOJCB-KBPBESRZSA-N 318.421 -0.508 30 20 DBED N#CCN1CCC2(C1)CN(C(=O)[C@@H]1CCc3nnnn3CC1)C2 1073000722 DLTRYMNNDNLMGW-GFCCVEGCSA-N 315.381 -0.317 30 20 DBED C#CCO[C@@H](C)C(=O)NC1(C)CCN(C(=O)c2nc[nH]n2)CC1 1073190134 BOVJBEGODFVCEK-NSHDSACASA-N 319.365 -0.046 30 20 DBED C[C@H](C#N)C(=O)N1CCC(C)(NC(=O)Cn2cnnn2)CC1 1073228873 KOILMOBKXIIKOV-SNVBAGLBSA-N 305.342 -0.670 30 20 DBED C#CCO[C@H](C)C(=O)N1CCN(C2CN(C(=O)C3CC3)C2)CC1 1073572624 IGPOPRSZYLIPNJ-CYBMUJFWSA-N 319.405 -0.210 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 1073660574 JGEPDXKCTOLCGC-QLFBSQMISA-N 309.410 -0.454 30 20 DBED C=CCN1CCCO[C@@H](CNC(=O)c2nnc(O)nc2O)C1 1073679575 PSTNNADJWZFLOR-VIFPVBQESA-N 309.326 -0.711 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CCN(C(=O)Cc2ccon2)CC1 1074524093 GUXKKJDJUBFVEU-NSHDSACASA-N 320.349 -0.154 30 20 DBED C#CCN1C[C@@H]2CCN(C(=O)CCn3ncn(C)c3=O)[C@@H]2C1 1076085052 YIHOWSSICZFJKF-QWHCGFSZSA-N 303.366 -0.862 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H](C)CCNC(=O)[C@H](C)NC(N)=O 1076267190 IMHPLMHBTFQQSX-PKFCDNJMSA-N 314.386 -0.619 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)c2cnn(CCOC)c2C)C1 1076987418 QAEAVKMKRMZSJA-HUUCEWRRSA-N 320.393 -0.364 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN(C(=O)CC)C2)C1 1077047969 YOBAQKPKMOMRPU-MGPQQGTHSA-N 307.394 -0.571 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2n[nH]c3c(OC)cccc23)C1 1077071118 IVHMSCWCEJEARA-VXGBXAGGSA-N 314.345 -0.020 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCCS2(=O)=O)C1 1077128817 GGTUDIAINWNXKH-UPJWGTAASA-N 314.407 -0.862 30 20 DBED CO[C@@H]1CCn2cc(C(=O)N[C@@H]3CN(CC#N)C[C@H]3O)nc2C1 1077218044 OJQDMSKWYWCFAC-NQBHXWOUSA-N 319.365 -0.857 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@@H]1CCC(=O)N1 1077638269 CHNJWEWONYGKRE-RNJOBUHISA-N 323.393 -0.133 30 20 DBED N#CCN[C@H]1C[C@@H](NC(=O)CN2C(=O)CNC2=O)C12CCC2 1078802523 DZZAFQNJOGNYAX-VHSXEESVSA-N 305.338 -0.921 30 20 DBED CCN(C(=O)[C@@]1(C)CNC(=O)C1)C1CN(C(=O)[C@@H](C)C#N)C1 1080121612 HTRUUKQTEZIONX-ZUZCIYMTSA-N 306.366 -0.268 30 20 DBED C[C@H](C#N)C(=O)NC1(CO)CCN(C(=O)c2cnon2)CC1 1080981674 KEBSANDEZFLDQN-SECBINFHSA-N 307.310 -0.687 30 20 DBED N#CCSCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2ccon2)C1 1081305785 VCLSNPRAWMXCBO-MWLCHTKSSA-N 324.362 -0.520 30 20 DBED CC(C)C#CC(=O)N1C[C@H](CNC(=O)c2cncnc2)[C@@H](O)C1 1081424247 CEFXSBRTHUFMIA-KBPBESRZSA-N 316.361 -0.315 30 20 DBED C=CC(C)(C)C(=O)NC[C@@H]1CN(C(=O)c2cnn[nH]2)C[C@H]1O 1081644646 DEFODDLGQMYTRY-MWLCHTKSSA-N 307.354 -0.434 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)Cn1cc(C2CC2)nn1 1083104637 LSRQVSUAYDMNMM-UONOGXRCSA-N 316.365 -0.409 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cn(C)c(=O)cn1 1083148727 CEKHFBXOTMTQBR-UONOGXRCSA-N 316.361 -0.671 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cncc(OC)n1 1083215273 PTMCKVBEJDDCRM-QWHCGFSZSA-N 302.334 -0.356 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)c2cc(C(N)=O)c[nH]2)C1 1083896005 QGVOGOJFLVIRII-MNOVXSKESA-N 312.757 -0.359 30 20 DBED C=CCn1cc(C(=O)N(C)C[C@@H]2CCN2[C@H](CC)C(N)=O)nn1 1085861490 ZKAUGFBHLODEOG-WCQYABFASA-N 320.397 -0.126 30 20 DBED C=CCN1CC[C@@H]2CN(C(=O)CC[C@H]3NC(=O)NC3=O)C[C@@H]2C1 1088194830 YMOZWKBWNWSOCV-FRRDWIJNSA-N 320.393 -0.059 30 20 DBED C=CCCN1CC[C@@H](NC(=O)Cc2cn(CC)nn2)[C@@H](O)C1 1090442225 RDYXBUBANMKPBE-KGLIPLIRSA-N 307.398 -0.032 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2CCN(CC(N)=O)C[C@@H]2O)cc1 1090483986 VUFVOZPPQXHVHF-KBPBESRZSA-N 301.346 -0.682 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@H]1O 1090489174 YABFMILMLWWMOQ-IACUBPJLSA-N 314.345 -0.343 30 20 DBED C#CCN1CC[C@H](NC(=O)c2ccnc3c2nnn3C)[C@H](O)C1 1090522446 JATNECGJSMVZFA-NWDGAFQWSA-N 314.349 -0.839 30 20 DBED C#CCOCCC(=O)N[C@H]1CCN(c2ncc(F)cn2)C[C@@H]1O 1092163715 GANRNLANZDEZEY-STQMWFEESA-N 322.340 -0.289 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1CNC(=O)c1nccnc1C(N)=O 1093180553 KMTRYVKUWJXQHM-NXEZZACHSA-N 302.338 -0.603 30 20 DBED N#CCN1CC(N2C[C@H](NC(=O)c3csnn3)CC2=O)C1 1094767335 ZCQVNAVKQKNMNJ-MRVPVSSYSA-N 306.351 -0.923 30 20 DBED N#Cc1nccnc1N[C@H](CNC(=O)[C@@H]1CCC(=O)N1)C1CC1 1096696625 BUHKDGNWTXNZTN-CMPLNLGQSA-N 314.349 -0.066 30 20 DBED CNS(=O)(=O)CC(=O)N1CC[C@H](Nc2ccc(C#N)cn2)C1 1096938941 MVDAPCJQWHMPGZ-NSHDSACASA-N 323.378 -0.485 30 20 DBED CCc1nc(C#N)cc(N[C@@H](C)CNC(=O)[C@H]2CCNC2=O)n1 1098212333 ZTHSDCGDCOQVKB-ONGXEEELSA-N 316.365 -0.037 30 20 DBED C[C@@H](C(=O)NC[C@@H](C)Nc1cnc(C#N)cn1)S(C)(=O)=O 1098389992 IUPMZHQVWPRXGD-BDAKNGLRSA-N 311.367 -0.302 30 20 DBED C#CCN(CCO)C1CCN(C(=O)CCN2CCOCC2)CC1 1098499924 JLVVEDSEURPSNR-UHFFFAOYSA-N 323.437 -0.373 30 20 DBED C[C@@H](CCNC(=O)C1CS(=O)(=O)C1)N=c1cc[nH]cc1C#N 1099522314 SBKPIYQQPMGJNK-JTQLQIEISA-N 322.390 -0.274 30 20 DBED C[C@@H]1C[C@@H](C(=O)NCCN(C)c2ccc(C#N)nn2)CC(=O)N1 1100211594 SXUXNYJIACHFKN-GHMZBOCLSA-N 316.365 -0.185 30 20 DBED N#CCNC(=O)CNC1CC(CNC(=O)CC[C@H]2CCOC2)C1 1100234305 KMBQZDDUBLFORJ-HSBZDZAISA-N 322.409 -0.073 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1CC(NCC(=O)N(C)CC)C1 1100322744 SWYSJJPGPJPYFQ-HSBZDZAISA-N 309.410 -0.013 30 20 DBED CN(CCNC(=O)c1ccc(C(N)=O)[nH]1)c1ccnc(C#N)n1 1100325856 ZUOWFJQSRBZXKM-UHFFFAOYSA-N 313.321 -0.359 30 20 DBED C#CCNC(=O)[C@H](C)NC1CC(CNC(=O)c2n[nH]cc2F)C1 1100650139 YXXXAHIWPQUFCJ-WHXUTIOJSA-N 321.356 -0.215 30 20 DBED CCN(CCNC(=O)[C@]1(C)CCC(=O)N1)c1ccnc(C#N)n1 1100709669 KDYXSQAECPFWNQ-HNNXBMFYSA-N 316.365 -0.041 30 20 DBED CN(CCNc1ccc(C#N)nn1)C(=O)CCc1cn(C)nn1 1101670943 GVZLVHLZBLQJEM-UHFFFAOYSA-N 314.353 -0.020 30 20 DBED CCNC(=O)NC(=O)CN1C[C@@H](C)[C@H](CNC(=O)[C@H](C)C#N)C1 1101823833 NMFIUKBJHOAYMX-IJLUTSLNSA-N 323.397 -0.324 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)[C@@H]2CCCCO2)C1 1101877857 NKKKTYCUELYJKL-KFWWJZLASA-N 321.421 -0.011 30 20 DBED CNC(=O)CC(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1C#N 1102547820 QFBDKWQOKDRDDI-UWVGGRQHSA-N 300.322 -0.726 30 20 DBED CNC(=O)NCC(=O)N(C)[C@H]1CCN(c2nccnc2C#N)C1 1102766566 DWYOGHGMZINZHV-JTQLQIEISA-N 317.353 -0.686 30 20 DBED CNC(=O)NCC(=O)N(C)[C@H]1CCN(c2ncccc2C#N)C1 1102767109 RVBPLKVOVHOJGT-LBPRGKRZSA-N 316.365 -0.081 30 20 DBED C[C@H](CNC(=O)[C@@H]1COCCN1C)CNc1ccc(C#N)nn1 1103922607 GTUOWNIGMLSQGC-AAEUAGOBSA-N 318.381 -0.157 30 20 DBED COCCOCCC(=O)NC[C@H](C)CN=c1cc[nH]c(C#N)n1 1104005811 LQNANOQZUUBRCB-GFCCVEGCSA-N 321.381 -0.013 30 20 DBED C[C@H](CN=c1cc[nH]cc1C#N)CNC(=O)[C@H]1CNC(=O)N1 1104183187 BYWQEESFLGCXQN-BXKDBHETSA-N 302.338 -0.779 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)[C@@H]1CN(C)CCO1 1104538855 QUFYNTUPOMWWSL-RYUDHWBXSA-N 318.381 -0.640 30 20 DBED C[C@@H](CNc1ccc(C#N)nn1)N(C)C(=O)Cc1nc[nH]n1 1104672414 CBLHEGXUMLCLDR-VIFPVBQESA-N 300.326 -0.032 30 20 DBED C[C@@H]1CN(C(=O)CNC(N)=O)CC[C@@H]1N=c1cc[nH]c(C#N)n1 1105029683 FVKLYUYCPKWABP-ZJUUUORDSA-N 317.353 -0.913 30 20 DBED C=CCCNCc1cn(C2CN(C(=O)Cn3nccn3)C2)nn1 1105247201 UDWCDAXOYZAFMM-UHFFFAOYSA-N 316.369 -0.381 30 20 DBED C#CCNCc1cn(C2CN(C(=O)[C@@H]3CO[C@H](C)C3)C2)nn1 1105271109 WSVARUGFQRDTEF-NEPJUHHUSA-N 303.366 -0.191 30 20 DBED CN(CCN(C)c1ccc(C#N)nn1)C(=O)CCc1nc[nH]n1 1105377320 VENSJLNWXFFJPO-UHFFFAOYSA-N 314.353 -0.006 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)Cn2cccn2)nn1 1105721427 ANJCQPCQEDELOA-LLVKDONJSA-N 301.310 -0.866 30 20 DBED CCn1nccc1C(=O)NC[C@H](O)CNc1cncc(C#N)n1 1105800329 MNSBMKLGTONTEP-LLVKDONJSA-N 315.337 -0.233 30 20 DBED COCC[C@H](C)C(=O)NC[C@@H](O)CNc1cnc(C#N)cn1 1105860509 XKQKURACWPAVPP-JQWIXIFHSA-N 307.354 -0.090 30 20 DBED CCn1ccc(C(=O)NC[C@@H](O)CNc2cnc(C#N)cn2)n1 1105981934 FWVWZQUFIQJLMV-NSHDSACASA-N 315.337 -0.233 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](O)CNC(=O)c2c[nH]nc2C)n1 1106063120 TWYNNYOLHIYHRY-NSHDSACASA-N 315.337 -0.109 30 20 DBED C[C@@H](CCNc1nccnc1C#N)NC(=O)CCNC(N)=O 1106329007 VCQXXBYSCMCHPF-VIFPVBQESA-N 305.342 -0.287 30 20 DBED N#Cc1cnc(NC/C=C/CNC(=O)Cn2cnnn2)c(F)c1 1107027047 HDADCPHONYZKGR-OWOJBTEDSA-N 316.300 -0.137 30 20 DBED N#CCN1CC(n2cc(CNC(=O)Cc3cnc[nH]3)nn2)C1 1107213631 FNTJGLFAIFQKGW-UHFFFAOYSA-N 300.326 -0.760 30 20 DBED C[C@H](CNc1ccc(C#N)nc1)NC(=O)CN1C(=O)CNC1=O 1107761407 IYHXSIBCDWAKBV-SECBINFHSA-N 316.321 -0.578 30 20 DBED C#CCOCCC(=O)NC[C@@]1(C)CN([C@@H]2CCNC2=O)CCO1 1107940760 XWQPOQREPGASSD-CJNGLKHVSA-N 323.393 -0.878 30 20 DBED C[C@]1(CNC(=O)c2cc[nH]c2)CN(CC(=O)NCC#N)CCO1 1107960696 MGXCOCZHWYAMRK-HNNXBMFYSA-N 319.365 -0.525 30 20 DBED C[C@@]1(CNC(=O)C(N)=O)CN(Cc2ccc(C#N)s2)CCO1 1108176916 JKDBRLWIPKFJHS-CQSZACIVSA-N 322.390 -0.188 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CNc1cncc(C#N)n1 1108322383 MXIXNEXCOKHUET-JTQLQIEISA-N 300.322 -0.596 30 20 DBED C#CCCN1CCO[C@@](C)(CNC(=O)c2ccc(=O)n(C)n2)C1 1108383184 ZDFUEEZVDBHREB-INIZCTEOSA-N 318.377 -0.376 30 20 DBED C=CCCN1CC(N2C[C@@H](NC(=O)C(C)(C)C(N)=O)CC2=O)C1 1108553370 LHUKBFBDQDGJKI-NSHDSACASA-N 322.409 -0.525 30 20 DBED C[C@@H](CN(C)c1cnc(C#N)cn1)NC(=O)[C@H]1CCC(=O)N1C 1109187892 UZHOJQRFKQGRPV-CMPLNLGQSA-N 316.365 -0.090 30 20 DBED CNC(=O)NCC(=O)N[C@@H]1[C@H]2C[C@H]1N(c1ccc(C#N)nc1)C2 1109743092 JHHRISLDBYIYPR-MRCXROJRSA-N 314.349 -0.424 30 20 DBED N#Cc1cncc(NC[C@@H](NC(=O)[C@H]2CCNC2=O)C2CC2)n1 1109946372 RHGXNYCCXFZOTK-NWDGAFQWSA-N 314.349 -0.209 30 20 DBED C[C@H](CC(N)=O)C(=O)N1CCC[C@H]1CN=c1cc[nH]c(C#N)n1 1110560660 VOMPDUCIYZBYQP-MNOVXSKESA-N 316.365 -0.315 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCN([C@@H](C)c2nnnn2C)CC1 1112814233 KUUNZUABVDOKPO-FZMZJTMJSA-N 308.386 -0.258 30 20 DBED Cc1ccncc1C(=O)NC1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]12 1114090841 KXBUNUYNXBHQIN-CHWSQXEVSA-N 313.361 -0.310 30 20 DBED C#CCN1C[C@H]2C(NC(=O)CS(=O)(=O)N(CC)CC)[C@@H]2C1 1114904159 PCFRZGYIPJYEBL-VXGBXAGGSA-N 313.423 -0.662 30 20 DBED COCC#CCN1C[C@@H]2C(NC(=O)C(=O)NCC3CC3)[C@H]2C1 1115032652 CDWJMXOAOLTLQL-STQMWFEESA-N 305.378 -0.791 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)C(=O)NCC3CC3)[C@H]2C1 1115032653 CDWJMXOAOLTLQL-WDNDVIMCSA-N 305.378 -0.791 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)CCN(C)CC)[C@H]2C1 1115074472 MMJCZJLDUOHSKF-STQMWFEESA-N 306.410 -0.876 30 20 DBED CN(CCOCCNC(=O)c1cnon1)c1ccc(C#N)nn1 1115219657 GBKGUINNWOAKKN-UHFFFAOYSA-N 317.309 -0.386 30 20 DBED Cc1cc(=N[C@@H](C)CN(C)C(=O)CNC(N)=O)c(C#N)c[nH]1 1115603526 UVSVMBKAQAJMHA-JTQLQIEISA-N 304.354 -0.389 30 20 DBED Cc1ccc(C#N)cc1NC(=O)C(=O)NCCOCC(N)=O 1116715098 BGZNSRGEONBOHP-UHFFFAOYSA-N 304.306 -0.577 30 20 DBED C#CCCCNC(=O)C(=O)N(CC)[C@@H]1CCS(=O)(=O)C1 1117425935 FORCNXLPKYYORF-LLVKDONJSA-N 300.380 -0.448 30 20 DBED C[C@@H](C(=O)NC[C@H](CO)Nc1ccc(C#N)nc1)n1cncn1 1121346662 RYLGVUYYJXEECA-GXFFZTMASA-N 315.337 -0.305 30 20 DBED Cc1ccncc1C(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1 1121404186 CWIDPEUZSPFNCW-LLVKDONJSA-N 312.333 -0.324 30 20 DBED CC(C)(C)C#CC(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1 1121438916 BQRBAPCQLURCOP-LLVKDONJSA-N 301.350 -0.291 30 20 DBED N#Cc1cncc(N[C@H](CO)CNC(=O)[C@@H]2CCCCO2)n1 1121454114 GRYCLGWRANHVDE-RYUDHWBXSA-N 305.338 -0.194 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)CCc2cnc[nH]2)nn1 1122747206 HPFKLTYITYMATG-LBPRGKRZSA-N 315.337 -0.407 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)[C@H]1CCCOC1 1124163745 LKJSZLUQMBGHTE-RYUDHWBXSA-N 319.365 -0.572 30 20 DBED CC(C)N(C)CC(=O)N(C)C[C@@H](O)CNc1ccc(C#N)nn1 1124381808 PKZXOTLCPLAWHF-ZDUSSCGKSA-N 320.397 -0.080 30 20 DBED C#CCNC(=O)CC(=O)NCCN[C@H](C)c1nc(CC)no1 1125997508 ACCUMODEIKDQNI-SNVBAGLBSA-N 307.354 -0.462 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCNCCN1CCCC1=O 1129770544 HZYPREZQRVDAHV-AWEZNQCLSA-N 306.410 -0.588 30 20 DBED CC#CCN[C@@H]1CN(C(=O)[C@@]2(F)CCOC2)C[C@@H]1n1ccnn1 1129977823 HHRVKIRDKYFMHC-VNHYZAJKSA-N 321.356 -0.229 30 20 DBED C#CCN1CC[C@@H](c2n[nH]cc2CNC(=O)Cn2cnnn2)C1 1130342536 LQOLEXXDXWGXFB-LLVKDONJSA-N 314.353 -0.865 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2cnn[nH]2)CC[C@@H]1C 1132144654 IGJIHKFXSBXADQ-QWRGUYRKSA-N 304.354 -0.863 30 20 DBED Cc1ncc(C(=O)N[C@H](C)C[C@@H](C)NCC(=O)NCC#N)n1C 1135301850 BACFRGQNTJKQDV-GHMZBOCLSA-N 320.397 -0.145 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@H](C)Cc1cnn(C)c1 1136012005 ISKCKYNSCFOPQW-CHWSQXEVSA-N 321.425 -0.005 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)CCCCC(N)=O)C1=O 1147122993 CHHWYQSBDBGBET-LBPRGKRZSA-N 310.398 -0.475 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(Cc2nncn2C)CCCO1 1149431141 IRZROQVFNHOJDM-CYBMUJFWSA-N 323.397 -0.275 30 20 DBED C#CCNC(=O)CN1CCCO[C@@H](CNC(=O)[C@@H]2CC23CC3)C1 1150362894 JJOGXRLHEDYLOE-KBPBESRZSA-N 319.405 -0.257 30 20 DBED CS(=O)(=O)CCCC(=O)NC[C@@H]1CN(CC#N)CCCO1 1150445667 XAFQEPPUIWPMLB-GFCCVEGCSA-N 317.411 -0.458 30 20 DBED C=C(C)CN1CCCO[C@@H](CNC(=O)CN2CC(=O)NC2=O)C1 1150452920 JXYQKSCSOFSTCA-LBPRGKRZSA-N 324.381 -0.679 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@H](Cc1ccccc1)OC 1151606647 NDWBWZARKDFUOG-HNNXBMFYSA-N 317.389 -0.301 30 20 DBED C=CCNC(=O)CN(CC)[C@H](C)CNC(=O)[C@H](C)n1cncn1 1152899883 RKVJSBRUNKWMFX-OLZOCXBDSA-N 322.413 -0.032 30 20 DBED C[C@H](C#N)C(=O)NCCCN[C@@H]1CCN(c2cnn(C)c2)C1=O 1155848850 QIHIWRXSJNLUOQ-DGCLKSJQSA-N 318.381 -0.219 30 20 DBED C=C[C@](C)(O)CC(=O)NCCCNCc1nnnn1C1CC1 1157188958 DBUFMVDKZIMNJE-AWEZNQCLSA-N 308.386 -0.069 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCCN[C@@H](C)C(=O)NCC=C 1160209203 CVDDSNZWGNTGCM-GJZGRUSLSA-N 320.437 -0.129 30 20 DBED C#CCNCC1(CCNC(=O)[C@@H]2COCCN2C(C)=O)CC1 1168230793 GJAMTRWIGSQRAY-AWEZNQCLSA-N 307.394 -0.257 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)CCc1cncn1C 1175011997 SYJRLDYFYVXIDW-CYBMUJFWSA-N 319.409 -0.414 30 20 DBED C[C@H](CCCCNCC#N)NC(=O)c1cn(C)c(=O)nc1O 1176548255 XZSIOWBJRJHOAY-SNVBAGLBSA-N 307.354 -0.112 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@H]1CCCN1C(C)=O 1177135928 HIMUSXHPPAQZRS-CYBMUJFWSA-N 310.398 -0.605 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2ccnc(O)c2)[C@H]1C 1178459819 XNSKQRVNKAPFBL-AAEUAGOBSA-N 316.361 -0.271 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)c2[nH]nnc2C)[C@H]1C 1179289867 AJJBQMDYOBYIAX-QWRGUYRKSA-N 306.370 -0.392 30 20 DBED C=CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)c2cnon2)[C@H]1C 1179751483 POTNUUNTBJWKNJ-DCAQKATOSA-N 307.354 -0.047 30 20 DBED C=CCOCCN[C@@H]1CCN(C(=O)[C@H](C)NC(=O)COC)C1 1182802674 MFAWWLRMJMFOEJ-QWHCGFSZSA-N 313.398 -0.469 30 20 DBED C=CCCCN[C@@H]1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)C1 1183039379 ITYYVXHAJCHVKW-CYBMUJFWSA-N 320.393 -0.296 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)c2cnc3n2CCOC3)C1 1183403805 XKZSLRDHUDMTRA-CYBMUJFWSA-N 318.377 -0.133 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)Cn2nc(C)cc2C)C1 1184086350 XPFPNKQUHMKLKR-CQSZACIVSA-N 317.393 -0.560 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 1185676012 HLSDPXRNAQDIJD-CQSZACIVSA-N 320.437 -0.342 30 20 DBED CCO[C@H](C)C(=O)N1CC[C@H]2CN(CC(=O)NCC#N)C[C@H]21 1186958271 JVFUHLDAUFJGMC-FRRDWIJNSA-N 308.382 -0.416 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)Cc2cnn(CC)c2)C1 1186987094 QUXMNHCRVCZWFU-CQSZACIVSA-N 319.409 -0.062 30 20 DBED C=CCOCC(=O)N1CC[C@H](N(C)Cc2nc(=O)n(C)[nH]2)C1 1189372645 ZBEIRDREKQFMKE-NSHDSACASA-N 309.370 -0.656 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(Cc2ccnc(OC)c2)C[C@H]1O 1191807033 HNYKUSSVCDVLJU-ZIAGYGMSSA-N 321.377 -0.046 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CN(Cc2nsc(N(C)C)n2)C[C@H]1O 1191855065 VUJXOIHEQACFMT-OPRDCNLKSA-N 324.410 -0.575 30 20 DBED CC(C)[C@H](C(=O)N1CC[C@@H](N(C)CC(=O)NCC#N)C1)N(C)C 1192190109 LNUNLTJXHUJVKV-UKRRQHHQSA-N 323.441 -0.255 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(C[C@H]2CCNC(=O)CC2)C[C@H]1O 1192509715 CQEGJUZDSAEMPV-RBSFLKMASA-N 321.421 -0.133 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(CCOCCOC)C[C@H]1O 1192530258 MBZGQQGBJGJGLE-NFAWXSAZSA-N 316.398 -0.862 30 20 DBED C=CCC[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)Cn2ncn(C)c2=O)C1 1194264667 DHOCBQIEVFURIQ-JHJVBQTASA-N 323.397 -0.902 30 20 DBED C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CN(C)C(=O)N2)C1 1195278237 QVLSFJANNVCHDQ-HZSPNIEDSA-N 324.425 -0.082 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)[C@@]2(C)CNC(=O)C2)CC1 1196602288 LHIPRNXYIWAVHT-MRXNPFEDSA-N 322.409 -0.651 30 20 DBED Cc1cnc(C(=O)N2CCC(NCC(=O)NCC#N)CC2)cn1 1199159635 GECZFUWKFPJWHS-UHFFFAOYSA-N 316.365 -0.381 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCC(NCc2nnnn2C)CC1 1200324691 DKKHUZCYHZYDML-CQSZACIVSA-N 308.386 -0.382 30 20 DBED C=CCCNC[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)CCCO1 1200583868 WOJHVZTWWVPCLC-CYBMUJFWSA-N 316.423 -0.186 30 20 DBED C#CCNC[C@@H]1CN(C(=O)c2cncc(C(N)=O)c2)CCCO1 1202080508 VDDQEWJGOTYJND-CQSZACIVSA-N 316.361 -0.366 30 20 DBED COCC#CCNC1CCN(C(=O)CCc2cnn(C)n2)CC1 1202517885 BQGDKRTZZQEQJK-UHFFFAOYSA-N 319.409 -0.022 30 20 DBED CC#CCN[C@@H]1C[C@@H](NC(=O)c2nnc(O)nc2O)C12CCC2 1203132811 PKYQAGCXYKGIJJ-NXEZZACHSA-N 317.349 -0.063 30 20 DBED C#CCN1CCC(C(=O)N2CCC(NCC(=O)NC)CC2)CC1 1203869482 HOADFLFZJAIRSL-UHFFFAOYSA-N 320.437 -0.342 30 20 DBED CO[C@H](C)CC(=O)N1CCC(CNCC(=O)NCC#N)CC1 1204734106 OGVWBRXUXNYJEE-GFCCVEGCSA-N 310.398 -0.121 30 20 DBED C#CCNCC1CCN(C(=O)[C@@H](C)NS(C)(=O)=O)CC1 1206409012 CFIOKVXQFOZSSM-LLVKDONJSA-N 301.412 -0.615 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)c2cnnn2C)[C@H](C)C1 1206919213 LVGFQKWLIUXPOD-IJLUTSLNSA-N 318.381 -0.997 30 20 DBED Cc1ccnc(C(=O)N2CCC[C@@H](NCC(=O)NCC#N)C2)n1 1207929347 YUQFJDVHIGMBLN-GFCCVEGCSA-N 316.365 -0.381 30 20 DBED C=CCCN1C[C@@H](NC(=O)[C@H](C)NS(C)(=O)=O)[C@H](C)C1 1208924039 JDDADCFNTALUML-GRYCIOLGSA-N 303.428 -0.063 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(Cc2n[nH]c(C)n2)C[C@H]1OC 1212032284 UFAVIIPDDVKTMZ-VXGBXAGGSA-N 309.370 -0.369 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)c2cnn(CC)n2)C[C@H]1C 1214557638 GRLXRMWCWNAMBD-DGCLKSJQSA-N 318.381 -0.903 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)Cn2nccc2C)C[C@H]1C 1215710217 RMOUVQUEGAYBBJ-TZMCWYRMSA-N 319.409 -0.070 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H](C)C1CC1 1217600590 GQIZSTOTTFHRQJ-AEGPPILISA-N 319.405 -0.307 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CC[C@@]1(C)CCC(=O)N1 1219076938 BKPCMXZSOWVSPH-JJRVBVJISA-N 319.405 -0.020 30 20 DBED Cn1nccc1CN1C[C@H](O)[C@H](NC(=O)CSCC#N)C1 1219219853 QCRZIVFZGWFTDQ-NEPJUHHUSA-N 309.395 -0.662 30 20 DBED N#Cc1ccc(CN2C[C@H](O)[C@H](NC(=O)CC(N)=O)C2)cc1F 1219402609 DQEIQBZIEWNRGA-OLZOCXBDSA-N 320.324 -0.766 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)CCc2cnn(C)c2)C1 1221063972 NITVZKKURDIMAK-CABCVRRESA-N 320.393 -0.836 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)[C@H]2COCCO2)CC1 1226176847 KIXVBKSYUUCPKK-CYBMUJFWSA-N 311.382 -0.715 30 20 DBED CCC(=O)NCC[C@@H]1CN(CC#CCOC)CCS1(=O)=O 1230398874 KTEDFMNDIZDCDF-CYBMUJFWSA-N 316.423 -0.349 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)c1cnsn1 1230855064 HGWMXRRKTMJDIC-SNVBAGLBSA-N 307.379 -0.566 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1CC(=O)NCC 1235453255 BAPFFWGHEZQTFO-CABCVRRESA-N 320.437 -0.247 30 20 DBED N#CCCCOC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 1317812701 AGYONGBXNHUUBV-QWRGUYRKSA-N 314.363 -0.131 30 20 DBED CC(=O)N[C@H](C(=O)NCCN/C(O)=C1/N=CC=CC1=O)C(C)C 1318397890 LQSAEWCNRDGZDG-AHAXBBEGSA-N 322.365 -0.210 30 20 DBED N#CCN1CCC(NC(=O)N[C@@H]2CCCS(=O)(=O)C2)CC1 1323843464 AGIGFIJRFDYDLB-GFCCVEGCSA-N 314.411 -0.149 30 20 DBED CN(CCS(C)(=O)=O)C(=O)C(=O)N[C@@H]1CC[C@H](C#N)C1 1326718700 PIXKQYAMBDMHTB-VHSXEESVSA-N 301.368 -0.702 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N[C@H]1CCOC[C@@H]1OCC 1326818745 XSKMZIASBBWESE-KBPBESRZSA-N 306.362 -0.218 30 20 DBED C=C(Br)CNC(=O)C(=O)NC[C@H]1COCCO1 1328611098 HNHIOQWBSOEGPK-QMMMGPOBSA-N 307.144 -0.457 30 20 DBED C#CC1CCN(C(=O)C(=O)N2CCN(C(=O)OC)CC2)CC1 1329450582 ZBAARDRXXJLCMB-UHFFFAOYSA-N 307.350 -0.231 30 20 DBED C=C(C)CN(C)C(=O)C(=O)NCCOCCS(C)(=O)=O 1329458092 RCEFEGXDUBMRGC-UHFFFAOYSA-N 306.384 -0.802 30 20 DBED CC(=O)N1Cc2ccc(S(=O)(=O)NCC#CCO)cc2C1 1329796079 AAQHYTDMGJQCNZ-UHFFFAOYSA-N 308.359 -0.177 30 20 DBED CC#CCN(C)c1nnnn1CCCN(CC)S(C)(=O)=O 1337091859 ZOOYLMRZRBPWQF-UHFFFAOYSA-N 314.415 -0.196 30 20 DBED C=C(Br)CNC(=O)C(=O)NCc1ncn(C)n1 1342415697 JDWGRWNSKGRCJD-UHFFFAOYSA-N 302.132 -0.544 30 20 DBED CN(C(=O)CCN/C(O)=C1/N=CC=CC1=O)C1[C@@H]2CNC[C@@H]12 1346347128 SMUVBNZOLFEVDW-ULENZDLMSA-N 304.350 -0.421 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC(OC)(c2cnnn2C)C1 1350366254 GGLXOEHEKXNKMM-LBPRGKRZSA-N 303.366 -0.403 30 20 DBED C=CCCOCCNC(=O)C(=O)N1CC[C@@H]2NC(=O)CC[C@@H]2C1 1350802187 KLRTUFMMMBPUGY-OLZOCXBDSA-N 323.393 -0.178 30 20 DBED N#Cc1cccc(NC(=O)c2cn(C[C@H]3CNC(=O)O3)nn2)n1 1361893459 VHRJBRBJQVRCMZ-SECBINFHSA-N 313.277 -0.095 30 20 DBED CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)CC(C)(C)C#N 1361924270 SZXYVAVILALQMQ-JTQLQIEISA-N 315.395 -0.312 30 20 DBED CCN(CCC#N)S(=O)(=O)NC[C@@H]1CCN(C(N)=O)C1 1364002183 RVJVNSNNAHNANR-JTQLQIEISA-N 303.388 -0.543 30 20 DBED N#Cc1cn(CCNC(=O)NCc2nccs2)c(=O)nc1O 1364201344 XFCWHRYBKCWKCH-UHFFFAOYSA-N 320.334 -0.224 30 20 DBED COC[C@@H](O)CNC[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 1371580569 YKNPOSHVGPVFNZ-AAEUAGOBSA-N 306.366 -0.055 30 20 DBED C=C(Br)CNC[C@@H](O)CNC(=O)[C@@H]1COC(=O)N1 1379198086 LPMOMEARWYFNDC-SFYZADRCSA-N 322.159 -0.930 30 20 DBED C[C@H](CN(C)C(=O)c1cc(C#N)c[nH]1)NC(=O)[C@H]1COCCO1 1395556398 XTELUIWROMWACT-ZWNOBZJWSA-N 320.349 -0.122 30 20 DBED Cc1nonc1CNC[C@@H](O)CN(C)C(=O)c1cc(C#N)c[nH]1 1403828241 MYQDJQYYFZNWPH-LLVKDONJSA-N 318.337 -0.200 30 20 DBED C=C(Cl)CNC[C@@H](O)CN(C)C(=O)[C@H]1CCCC(=O)N1 1411088885 WADVMIDPPIAPLM-GHMZBOCLSA-N 303.790 -0.184 30 20 DBED C[C@@H](CNC(=O)Cn1cncn1)N(C)C(=O)c1ccc(C#N)[nH]1 1411710539 BPIMTDUZXSZYJY-JTQLQIEISA-N 315.337 -0.245 30 20 DBED C[C@@H]1CCC[C@]1(O)CNC(=O)CCn1cc(C#N)c(O)nc1=O 1413019597 TZFJZOXASIZNBA-BMIGLBTASA-N 320.349 -0.122 30 20 DBED C[C@H](C#N)C(=O)NCCN(C)C(=O)CCn1cnccc1=O 1415597697 JDEZLWBBNNEYEM-LLVKDONJSA-N 305.338 -0.632 30 20 DBED C[C@H](CNC(=O)c1cccc(C(N)=O)n1)CNC(=O)[C@H](C)C#N 1416474053 OJWIUGGQIHOLIE-VHSXEESVSA-N 317.349 -0.178 30 20 DBED CC(C)C[C@H](CNC(=O)[C@@H](C)C#N)NC(=O)Cn1ncnn1 1416511133 NBQPTBWEXRIMJH-WDEREUQCSA-N 307.358 -0.520 30 20 DBED CNC(=O)NCC(=O)N(C)CC1CCN(C(=O)[C@@H](C)C#N)CC1 1432115126 CNRCWGSWKNLXLU-NSHDSACASA-N 323.397 -0.228 30 20 DBED N#CCSc1cccc(C(=O)N(CC(N)=O)CC(N)=O)c1 1443300609 YXFRLBJEFZJHEZ-UHFFFAOYSA-N 306.347 -0.285 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@@H]1CCN(C(=O)CCc2cnn[nH]2)C1 1446688712 RHHAYFPEGAVELY-CMPLNLGQSA-N 304.354 -0.044 30 20 DBED CC[C@@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)[C@@H]1COC(=O)N1 1450887421 PFVSRLCTQLQDLF-ONGXEEELSA-N 319.321 -0.381 30 20 DBED CCc1noc(C)c1C(=O)NC[C@@H](O)CNC(=O)[C@@H](C)C#N 1452351151 LBXORTONFIQPOA-WPRPVWTQSA-N 308.338 -0.088 30 20 DBED CCc1nc(C)c(C(=O)NC[C@@H](O)CNC(=O)[C@H](C)C#N)o1 1458031237 ARCCIIBOBKMDGH-SCZZXKLOSA-N 308.338 -0.088 30 20 DBED N#Cc1sc(NC(=O)NC(CO)(CO)CO)nc1Cl 1466806069 HGRJNKSGZLBTNZ-UHFFFAOYSA-N 306.731 -0.495 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@](C)(NC(=O)CS(C)(=O)=O)C1 1506414054 PGZVSGZUYIURMJ-JOYOIKCWSA-N 301.368 -0.702 30 20 DBED CN(C)C(=O)Cn1cc(C(=O)OCC#Cc2ccccn2)nn1 1514795368 ZMBFMTKPHOREDW-UHFFFAOYSA-N 313.317 -0.030 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC(CNC(=O)Cn3cccn3)C2)c1 1530686741 DMWPINTUMYDIDG-UHFFFAOYSA-N 312.333 -0.029 30 20 DBED C#Cc1cncc(C(=O)N[C@H](C)CCNC(=O)CNC(=O)O)c1 1573313128 BRGNKGXMANSISO-SNVBAGLBSA-N 318.333 -0.045 30 20 DBED CC(C)(C#N)CS(=O)(=O)N[C@H]1CN(C(=O)O)C[C@H]1CO 1573408174 UXQJDMPGDWNDHX-IUCAKERBSA-N 305.356 -0.574 30 20 DBED C[C@@H](C#N)C(=O)NCC1(Nc2ccc(-c3nn[nH]n3)nn2)CC1 1573578029 XJONLURMKLUDBE-QMMMGPOBSA-N 313.325 -0.123 30 20 DBED CCN(C)C(=O)[C@H](C)Nc1cnc(C#N)c(-c2nn[nH]n2)n1 1577844954 UANQMIAQWDVVCG-ZETCQYMHSA-N 301.314 -0.193 30 20 DBED C#C[C@H]1CCCCN1C(=O)C(=O)NCC1(C(=O)O)CCOCC1 1588386599 SDYXVEAYNBCRLF-LBPRGKRZSA-N 322.361 -0.002 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)[C@H]3C[C@H]3C(=O)O)C2)cn1 1588510902 OCQZCLHHLKPKSY-QWHCGFSZSA-N 313.313 -0.276 30 20 DBED N#Cc1nc(N[C@H](CO)[C@H]2CCOC2)cnc1-c1nn[nH]n1 1592707909 JLQBFVXMMWKCLJ-IONNQARKSA-N 302.298 -0.662 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[C@@](O)(C(=O)O)C1 1596231516 OWEZOWMBHIAFCO-KOLCDFICSA-N 305.356 -0.766 30 20 DBED CO[C@@H]1CN(c2ncc(C(=O)O)cn2)C[C@H]1NC(=O)[C@@H](C)C#N 1599323165 BUZYXLAMYRDHBR-JMJZKYOTSA-N 319.321 -0.346 30 20 DBED Cc1c(C#N)c(=O)n(Cc2cccc(C(=O)O)n2)c(=O)n1C 1599974344 QUNGEORDGKRGMT-UHFFFAOYSA-N 300.274 -0.131 30 20 DBED N#Cc1c(-c2nn[nH]n2)nc(N)n1CCCN1CCOC1=O 1606355937 YKWBSZVFHVHBMS-UHFFFAOYSA-N 303.286 -0.641 30 20 DBED C#C[C@@H]1COCCN1S(=O)(=O)c1cccnc1-c1nn[nH]n1 1609020021 ORDWACPLTMVUJJ-SECBINFHSA-N 320.334 -0.716 30 20 DBED COC(CN(CCC(=O)O)C(=O)Cn1cnc(C#N)n1)OC 1610224236 KMZYHRFUEPPJFG-UHFFFAOYSA-N 311.298 -0.928 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CCN(CCN2CCNC2=O)C1 1665540150 YBBNJFDLCRBHAK-DOMZBBRYSA-N 310.398 -0.471 30 20 DBED C#CCOCCC(=O)N[C@H]1CCN(Cc2nc(COC)no2)C1 1714996469 IOESVRSIBYTDOF-LBPRGKRZSA-N 322.365 -0.054 30 20 DBED C#CCNC(=O)CNC/C=C\CNC(=O)[C@@H]1CCCCN1C 1732890228 TYCIMCJHSLSJRQ-GXMNPTEKSA-N 306.410 -0.518 30 20 DBED C#CCNC(=O)CN(C)C[C@@H]1CCCN(C(=O)[C@H](O)C(C)C)C1 1752505801 IVYKAORWQKFLRN-GOEBONIOSA-N 323.437 -0.077 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@H]1C[C@H](NC(=O)c2cnc(O)n2C)C1 1752651965 WRRRQALMMUFSDX-GMTAPVOTSA-N 321.381 -0.333 30 20 DBED CN(CCNC(=O)c1cnn2ccccc12)CC(=O)NCC#N 1753067684 USUBUEPUESDJJJ-UHFFFAOYSA-N 314.349 -0.364 30 20 DBED COCC#CCN1CCN(CCN(C)C(=O)[C@H](C)C#N)CC1 1753344189 UPVPGIAXVOCOJE-OAHLLOKOSA-N 306.410 -0.128 30 20 DBED C=CCNC(=O)CN1CC(NC(=O)c2cc(CC)n(C)n2)C1 1753395121 YNYNXFGWOCLZPU-UHFFFAOYSA-N 305.382 -0.301 30 20 DBED CC#CCN1CCC[C@@](CO)(NC(=O)c2cccc(=O)n2C)C1 1754858319 YHOZCJUFNMYEKR-QGZVFWFLSA-N 317.389 -0.035 30 20 DBED CNC(=O)NCCC(=O)N1CC[C@H](CCNCC#CCOC)C1 1754914004 YBKNTVAJYPSAQC-AWEZNQCLSA-N 324.425 -0.217 30 20 DBED COCC#CCN1CC2(C[C@H](NC(=O)[C@@H]3COCCO3)CO2)C1 1755059693 UIKXMRBCOGAOJE-KBPBESRZSA-N 324.377 -0.989 30 20 DBED C[C@H](NC(=O)CC1(O)CCC1)C1CN(CC(=O)NCC#N)C1 1755374289 QBYUZYUULBNKOT-NSHDSACASA-N 308.382 -0.632 30 20 DBED C[C@H](CN(C)C(=O)C1(n2cnnn2)CCOCC1)NCC#N 1755608915 LLUDSFNAQYWCPN-LLVKDONJSA-N 307.358 -0.861 30 20 DBED C#CCCN[C@@H](CO)CNC(=O)c1ccnc2[nH]c(C)nc12 1755634491 GMJDKFAVEVBOPT-LLVKDONJSA-N 301.350 -0.030 30 20 DBED C#CCN[C@@H]1CN(C(=O)CCCS(N)(=O)=O)CC1(C)C 1755775743 QNTJQECTERNQKG-LLVKDONJSA-N 301.412 -0.485 30 20 DBED CN(CC(=O)NCC#N)C[C@H](O)CN(C)C(=O)C1CC=CC1 1755799338 LMMPQMUEBYUYKC-ZDUSSCGKSA-N 308.382 -0.657 30 20 DBED C=C(C)C(C)(C)C(=O)N[C@@H](CO)CNC(=O)c1nnn(C)c1C 1756510272 GFLGUWCQXKHQOL-LLVKDONJSA-N 323.397 -0.067 30 20 DBED C=C(C)CCC(=O)N[C@@H](CO)CNC(=O)[C@H](C)n1cncn1 1756513099 AKLGWBOCHYYLNB-NWDGAFQWSA-N 309.370 -0.211 30 20 DBED C=CCOCC(=O)N1CC=C(CNC(=O)[C@H]2COC(=O)N2)CC1 1756767371 GZYYSKYTYKTERG-GFCCVEGCSA-N 323.349 -0.428 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(C(=O)CCc2cn[nH]c2)C[C@@H]1O 1757171421 RKULVCNZKBTHSR-KGLIPLIRSA-N 318.377 -0.310 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(C(=O)[C@H](F)C(C)C)C[C@@H]1O 1757173963 NXSGPOFJDLBTJY-MBNYWOFBSA-N 314.357 -0.292 30 20 DBED C=CCOCC(=O)N1C[C@H]2CCN(C(=O)[C@@H](C)NC(C)=O)C[C@H]21 1757222978 ONHOQFRLWURKKP-MRVWCRGKSA-N 323.393 -0.227 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(C)n(C)n1)CCO2 1783047799 ICLLNNOWZOFBQZ-MRXNPFEDSA-N 316.361 -0.195 30 20 DBED C/C=C/C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1783064255 FPHOJEQSHCSNIO-FAAWYNLUSA-N 306.318 -0.520 30 20 DBED C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnc(O)nc1O 1796789818 TWGOQYNCHZZHEU-ILWJIGKKSA-N 316.317 -0.227 30 20 DBED C#CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)CNC(=N)N)CC2 1825015156 AXBPLSVFMALNAN-SSDOTTSWSA-N 320.378 -0.829 30 20 DBED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)O)CCO2 1840029016 QDJCGYQWPLQODD-SWLSCSKDSA-N 312.366 -0.600 30 20 DBED C#CC(=O)N1CCCC12CN(C(=O)[C@H](C)CS(C)(=O)=O)C2 1845958131 WQHCVQUHEVBIMC-LLVKDONJSA-N 312.391 -0.496 30 20 DBED COC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C#CC(=O)O 1847320128 MEBWACPYIQNAFU-QWRGUYRKSA-N 308.334 -0.299 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN([C@H](C)C(=O)NC2CC2)CC1 42570848 QERBBHSNDFFDJY-QWHCGFSZSA-N 306.410 -0.591 30 20 DBED N#C[C@H]1COCCN1CC(=O)N1CCN(C(=O)C2CC2)CC1 81165719 HYSYIQXFUAKFCD-ZDUSSCGKSA-N 306.366 -0.708 30 20 DBED C=CC[C@@H](C)NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 116856556 RWSZENXOOCDABN-SECBINFHSA-N 305.338 -0.486 30 20 DBED N#Cc1nc(N2CCN3C(=O)C(=O)NC[C@H]3C2)ccc1Cl 131128109 YIBRNQPGYVGARL-QMMMGPOBSA-N 305.725 -0.246 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(C)C[C@@H]2CCCOC2)C1=O 264560108 QOFNDBKSERILQB-NSHDSACASA-N 323.349 -0.152 30 20 DBED COC(=O)c1cc(Nc2c(C#N)c(=O)n(C)c(=O)n2C)cn1C 268526319 WABWYYKEEJFIML-UHFFFAOYSA-N 317.305 -0.176 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C)[C@H]2CCCNC2)C1=O 269220198 RXEVJZVITNFEJJ-QWRGUYRKSA-N 322.365 -0.533 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C)[C@@H]2CCCNC2)C1=O 269220202 RXEVJZVITNFEJJ-WDEREUQCSA-N 322.365 -0.533 30 20 DBED C=CCN/C(N)=N/C[C@H](O)CS(=O)(=O)c1cccs1 269700251 MCPYSXKAZMFVRU-VIFPVBQESA-N 303.409 -0.027 30 20 DBED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)CN1C(=O)C(=O)N(C)C1=O 281330976 JJCGTXPQLMIPLX-MWLCHTKSSA-N 309.322 -0.496 30 20 DBED O=C(CCC(=O)N1CC(=O)Nc2ccccc21)NCC#CCO 294371515 LLJJSTMZQCQVLY-UHFFFAOYSA-N 315.329 -0.136 30 20 DBED COCCN1CCN(/C(O)=N/C[C@@H]2CN(C)CCN2C)CC1 329380764 PYWSGTIYMYOFIK-CQSZACIVSA-N 313.446 -0.590 30 20 DBED COCCN1CC[C@H](/N=C(/O)N2C[C@@H]3OCCN(C)[C@H]3C2)C1 329963531 TZZDBRXPQWVSIM-IHRRRGAJSA-N 312.414 -0.364 30 20 DBED O=C(Cn1cc(N/C(O)=N/CCCO)cn1)N1CCOCC1 331048543 HFIRLDRUQSYDPK-UHFFFAOYSA-N 311.342 -0.550 30 20 DBED CC(C)[C@@](C)(C#N)NC(=O)CN1CCC[C@]2(C1)NC(=O)NC2=O 331541627 FCCSRRGRWQALPJ-HUUCEWRRSA-N 321.381 -0.285 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CCC[C@@H](S(N)(=O)=O)C1 336955330 YHTKSLVLSZYUPR-SNVBAGLBSA-N 324.428 -0.780 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)NCC(=O)Nc1cccnc1 337049305 IHBJMUNOUXZMEG-SNVBAGLBSA-N 311.367 -0.054 30 20 DBED C=C(C)COCCNC(=O)C(=O)Nc1c(C(=O)OC)cnn1C 340115835 SLFSHAOXOODROG-UHFFFAOYSA-N 324.337 -0.146 30 20 DBED N#CCCCCNC(=O)C(=O)N1CC(=O)N(CC(F)(F)F)C1 343138517 IFUCREHASBZIRW-UHFFFAOYSA-N 320.271 -0.013 30 20 DBED N#CCNC(=O)CNC(=O)NC[C@H]1CCN(CC(F)(F)F)C1 344318421 NZZZKUVLVFMOMN-SECBINFHSA-N 321.303 -0.190 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N1C[C@H](C)S(=O)(=O)[C@H](C)C1 352592761 IPNCJRAPIFAQAF-GARJFASQSA-N 323.440 -0.027 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N1C[C@@H]2CCS(=O)(=O)[C@H]2C1 352648662 XNPAUPYJQHMFLE-VWYCJHECSA-N 321.424 -0.558 30 20 DBED C#CCCCC(=O)N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 370070726 CDHXSWMVDQTQBK-QWHCGFSZSA-N 314.407 -0.596 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)CN2CCCS2(=O)=O)C1=O 518474220 IOYRUWQYKMMMQN-NSHDSACASA-N 315.395 -0.733 30 20 DBED CCN(C)C(=O)CNC(=O)C(=O)Nc1cc(C)c(C#N)cn1 578666079 XSLZQCIWGSKNTC-UHFFFAOYSA-N 303.322 -0.205 30 20 DBED C[C@H]1CN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)C[C@H]1O 589471963 OCGXLBNRBPPOBS-GXFFZTMASA-N 323.374 -0.324 30 20 DBED CC(=O)N1CCN(C(=O)CCNc2cncc(C#N)n2)CC1 591909474 RPVUOSRXLSCRHQ-UHFFFAOYSA-N 302.338 -0.159 30 20 DBED CCCN1CC[C@H](NC(=O)C(=O)NC2CCN(CC#N)CC2)C1 597257175 CMZGMDRGNXRXQG-AWEZNQCLSA-N 321.425 -0.309 30 20 DBED C=CC[C@H](CO)CNC(=O)[C@H]1CCCN1C(=O)CNC(C)=O 678800518 IQHFLDKDQIJMEU-QWHCGFSZSA-N 311.382 -0.586 30 20 DBED CO[C@@]1(CNC(=O)[C@H](N)CCCC#N)CCS(=O)(=O)C1 720914751 MEGFBAVYXAJULK-ZYHUDNBSSA-N 303.384 -0.673 30 20 DBED C#CCOCCC(=O)NC[C@H]1CCC[C@@]12NC(=O)N(C)C2=O 755950479 MEAWJNPHSRVILX-IAQYHMDHSA-N 307.350 -0.137 30 20 DBED C=CCS(=O)(=O)CCNS(=O)(=O)C[C@H]1CCCOC1 792765807 BOWCHYDCUYTDKM-NSHDSACASA-N 311.425 -0.067 30 20 DBED C#C[C@@H](NC(=O)C(=O)NCc1ccnc(C)n1)[C@H]1CCCO1 793763669 ZWWQLSQQAJDCAI-CHWSQXEVSA-N 302.334 -0.302 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)NCc2cccc(F)n2)CCO1 800085998 IZSQAKSZZLTTHC-SNVBAGLBSA-N 300.315 -0.221 30 20 DBED CC(=O)N1C[C@@H](C(=O)NCC(=O)NCC#N)Oc2ccccc21 804821032 CCCKFKSRJKWBLG-ZDUSSCGKSA-N 316.317 -0.444 30 20 DBED C#C[C@@H](NC(=O)C(=O)NCC1(OC)CCOCC1)[C@@H]1CCCO1 807060932 IGAPLQNNBMMUJE-OLZOCXBDSA-N 324.377 -0.405 30 20 DBED CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)[C@@](C)(C#N)CC(=O)O)O1 820524249 NHSVZWUJPGDBAE-PKFCDNJMSA-N 311.338 -0.257 30 20 DBED O=C1C[C@H](C(F)(F)F)[C@@H](C(=O)N[C@H]2CCCN(O)C2=O)CN1 823160597 HRTFHHAFHVGAGE-FXQIFTODSA-N 323.271 -0.203 30 20 DBED COCCS(=O)(=O)CC(=O)N1CCN(CCC#N)CC1 827485300 POYGKGWHRCHCBF-UHFFFAOYSA-N 303.384 -0.895 30 20 DBED N#C[C@@H]1CNC[C@@H]1NC(=O)CNS(=O)(=O)c1cccs1 834499270 GQNHZHNKPDNKLE-BDAKNGLRSA-N 314.392 -0.746 30 20 DBED CS(=O)(=O)Nc1ccc(C(=O)N[C@@H]2CNC[C@H]2C#N)cc1 834516791 LZZGOMHERYFVIT-ZYHUDNBSSA-N 308.363 -0.101 30 20 DBED C#CCOc1ccc(NC(=O)C(=O)N2CCO[C@@H](CN)C2)cc1 841213297 MSWNVVCKWDNSIO-AWEZNQCLSA-N 317.345 -0.177 30 20 DBED C#C[C@@H](NC(=O)C(=O)N[C@H]1CC[C@@H](C(=O)O)C1)[C@@H]1CCCO1 843257439 PDGNNCMBNNSVES-KXNHARMFSA-N 308.334 -0.347 30 20 DBED C=C[C@@](C)(O)C(=O)NCCCN(OC)C(=O)[C@](C)(O)C=C 856013924 BITCXDINJXOYQM-ZIAGYGMSSA-N 300.355 -0.243 30 20 DBED C#CCCOC(=O)N(C)CC(=O)N[C@H]1CCS(=O)(=O)C1 858901436 CNCFBXADQPIGKS-JTQLQIEISA-N 302.352 -0.619 30 20 DBED CN1C(=O)CN(CC(=O)OCC(=O)N(C)C(C)(C)C#N)C1=O 860304326 FPZPWSFAGXHCNP-UHFFFAOYSA-N 310.310 -0.816 30 20 DBED C#CC[C@H](CCOC)NC(=O)N(C)CC(=O)N1CCOCC1 875920044 VABVMIGBQICMIW-CYBMUJFWSA-N 311.382 -0.085 30 20 DBED C#CC(C)(C)N(C)CC(=O)NC1CCN(S(C)(=O)=O)CC1 878514397 RTGKQHADASJCSO-UHFFFAOYSA-N 315.439 -0.130 30 20 DBED N#CCCN1CCN(C(=O)C(=O)N[C@H]2CCCNCC2)CC1 884716053 LHELNGDZJUVHQM-ZDUSSCGKSA-N 307.398 -0.697 30 20 DBED C#CCN1CCC[C@H](NC(=O)N(C)[C@H]2CCS(=O)(=O)C2)C1 885508195 CVGRPGHPUCMWBJ-STQMWFEESA-N 313.423 -0.088 30 20 DBED C#CC[C@H](CO)NS(=O)(=O)c1n[nH]c(C)c1C(=O)OCC 912555337 DGRUHYZLLIOVIA-SECBINFHSA-N 315.351 -0.443 30 20 DBED C=CCOC[C@@H]1NC(=O)N(CCS(=O)(=O)C2CC2)C1=O 927731456 DUFWEWSHDAELHC-JTQLQIEISA-N 302.352 -0.313 30 20 DBED Cn1cc(C(=O)N[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)nn1 937902332 XEYXBCXIRUTDBN-JTQLQIEISA-N 313.321 -0.341 30 20 DBED C[C@H]1CN(CC#N)CC[C@@H]1NC(=O)c1nccnc1C(N)=O 944812282 SUTUBIQISZOPHS-UWVGGRQHSA-N 302.338 -0.461 30 20 DBED C=C(C)C(C)(C)C(=O)N1C[C@H]2C[C@H]1[C@@H]2NC(=O)Cn1cnnn1 946650163 NRALRTGUVCYFOV-NTZNESFSSA-N 318.381 -0.009 30 20 DBED CN1CCO[C@H](C(=O)NC2CCN(C(=O)C#CC3CC3)CC2)C1 946690947 WXXHSRBSHPMSLG-HNNXBMFYSA-N 319.405 -0.162 30 20 DBED C=CCN1C[C@H]2CCN(C(=O)CN3C(=O)CNC3=O)CC[C@H]2C1 946885051 XWIRIDAOHRWPQB-BETUJISGSA-N 320.393 -0.105 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@H]2CNC(=O)[C@@H]2COC(=O)N2)[nH]1 949690473 OHVUIFIKKCAWMK-ONGXEEELSA-N 317.305 -0.675 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2CCCN2C(=O)CC(N)=O)nn1 955934884 MBJAHXQVFZUKIF-JTQLQIEISA-N 320.353 -0.940 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@](C)(NC(=O)c2cn(C)c(=O)n2C)C1 957139404 VOMMMCGXAKGPMB-BMIGLBTASA-N 319.365 -0.396 30 20 DBED COc1c(C(=O)NC[C@@H]2CN(CC#N)C[C@H]2O)c(C)nn1C 958447400 DDQUVHZZGMZNLQ-GHMZBOCLSA-N 307.354 -0.717 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C2=COCCO2)C1 958461571 VTQBIMNWHAXFMR-DCAQKATOSA-N 309.322 -0.936 30 20 DBED C=CCN1C[C@@H](O)[C@H](CNC(=O)c2cnn(CCN(C)C)c2)C1 958468463 YFQMYKIMNHOGCB-UKRRQHHQSA-N 321.425 -0.347 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](CNC(=O)C2CC(=O)NC(=O)C2)C1 958476339 ITOIMPLCEYYKEC-NEPJUHHUSA-N 309.366 -0.976 30 20 DBED C=CCN1C[C@H](CNC(=O)c2ccc(C(N)=O)nc2)[C@@H](O)C1 958748347 LHWPUCXLEVOGQI-AAEUAGOBSA-N 304.350 -0.611 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2cnn(C)c2C2CC2)C1 958748939 SYKRQWJQCWEVST-OCCSQVGLSA-N 302.378 -0.047 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CN(C(=O)c3cnnc(O)c3)C[C@H]2C1 961766376 KECVBXXVMYDTIB-ZMLRMANQSA-N 315.333 -0.128 30 20 DBED C=CCn1cc(C(=O)N[C@H]2[C@@H]3CN([C@@H]4CCNC4=O)C[C@@H]32)nn1 961993573 LXJPLECKMDFACZ-DNIRFERGSA-N 316.365 -0.987 30 20 DBED C=CCN1C[C@@H]2C(NC(=O)CN3C(=O)NC(=O)C3(C)C)[C@H]2C1 962194366 PVAPXDIKEPKMPZ-UWVGGRQHSA-N 306.366 -0.451 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H](NC(=O)Cn2cncn2)CC1 965199507 RVYJTTMHIBMOTO-NEPJUHHUSA-N 304.354 -0.065 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CC[C@H](CNC(=O)c3nc[nH]n3)O2)C1 965567672 PQJOVWXKXIUGQM-NXEZZACHSA-N 318.337 -0.546 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)Cn2cnnn2)C(C)(C)C1 966959491 HNFSWJALFZWOCX-QWRGUYRKSA-N 319.369 -0.424 30 20 DBED C#CCN1CC[C@H](C)[C@@H](NC(=O)Cn2ccc(O)nc2=O)C1 967274714 RXEHIGKQIGGQFK-RYUDHWBXSA-N 304.350 -0.591 30 20 DBED NC(=O)C(=O)N1C[C@H]2CCN(C(=O)C#CC3CC3)CC[C@H]2C1 967346316 RCGICZXIYLARFE-BETUJISGSA-N 303.362 -0.418 30 20 DBED CC[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 968376265 WSQSYRBDSFIMBJ-NYTXWWLZSA-N 320.389 -0.097 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)cn1 969351162 IFPCQBDOPCPEDS-GDLCADMTSA-N 312.329 -0.476 30 20 DBED C[C@@]1(CC(=O)N2CC[C@@H](NCC#N)C2)CCS(=O)(=O)N1 970565779 NTCBEWOJCQLQOY-PWSUYJOCSA-N 300.384 -0.828 30 20 DBED C=C(Cl)CN1CCO[C@]2(CCN(C(=O)CC(N)=O)C2)C1 972302755 BCZMFOJELIWCSP-CYBMUJFWSA-N 301.774 -0.082 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2COCCO2)C1 973911895 SOWAWSIIJWPMRB-XHJNMGKDSA-N 324.377 -0.244 30 20 DBED N#Cc1cc(C(=O)NC2CN(C(=O)C3=COCCO3)C2)c[nH]1 990920639 NXVOFTLBTCBDTF-UHFFFAOYSA-N 302.290 -0.285 30 20 DBED C#Cc1ccc(C(=O)N2CC(NC(=O)Cn3ccnc3)C2)nc1 994922772 IYGLLXBGNRQCNM-UHFFFAOYSA-N 309.329 -0.100 30 20 DBED C#CCN[C@H]1CN(C(=O)[C@@H]2Cc3cncn3C(=O)N2)CC1(C)C 996076188 UBQWAWWKQYELAP-STQMWFEESA-N 315.377 -0.175 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CCN([C@@H]3CCC(=O)NC3=O)C2)c1 1010476605 HOVLOLKRPKAXAF-ZYHUDNBSSA-N 315.333 -0.504 30 20 DBED C#CCN1CC[C@H](NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 1014428081 QSKSLNJIPBPGJZ-RYUDHWBXSA-N 301.350 -0.414 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCN([C@@H](C)C(=O)N(C)C)C2)nn1 1015810967 WEDFFOBMBRRLHI-RYUDHWBXSA-N 320.397 -0.255 30 20 DBED C[C@H]1CN(C(=O)CN[C@H]2CCN(C(=O)C#CC3CC3)C2)CCO1 1018830227 HIPVOJALFWYMIU-ZFWWWQNUSA-N 319.405 -0.162 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)CN2CCOCC2)[C@@H]1C 1020535912 UTZWAOYXDZAUHG-AVGNSLFASA-N 308.382 -0.416 30 20 DBED CC1(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)CC1 1023437320 RASOJLFFEBOUBO-VXGBXAGGSA-N 302.334 -0.012 30 20 DBED N#CCN[C@@H]1CC[C@H]2CN(C(=O)CCn3cnccc3=O)C[C@H]21 1026389840 IQKLXXMENVXUHC-BFHYXJOUSA-N 315.377 -0.016 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@@H]2CCN([C@H]3CCNC3=O)C2)c1 1028470283 HGCWQSAOZLWCNZ-GWCFXTLKSA-N 301.350 -0.173 30 20 DBED C#CCN1CC[C@H](CNC(=O)[C@H]2CCc3nnn(C)c3C2)C1 1028764272 BYKVSHUBWPLIQS-OLZOCXBDSA-N 301.394 -0.009 30 20 DBED C=CCN1CC[C@@H](N2CC[C@H](CNC(=O)c3nc[nH]n3)C2)C1=O 1028876538 DKOAQKAAGYAYQV-VXGBXAGGSA-N 318.381 -0.357 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)c3nnn(C)c3C)C2)C1=O 1030177703 UQRLEWSKYVSZOG-LBPRGKRZSA-N 318.381 -0.676 30 20 DBED CN(C)CCn1cc(C(=O)N2C[C@@H]3C[C@H]2CN3CC#N)cn1 1032675974 YSQXCJYJCPHGNR-KBPBESRZSA-N 302.382 -0.133 30 20 DBED CC#CCN1CCCC[C@H](NC(=O)CN2CCOCC2=O)C1 1034245098 MVIJMNBKOBROAJ-AWEZNQCLSA-N 307.394 -0.161 30 20 DBED N#CCN1CCO[C@H](CNC(=O)c2ccc3nn[nH]c3n2)C1 1035392646 YHTMQWUGZKSNCQ-SECBINFHSA-N 301.310 -0.693 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)[C@@H]2C[C@H]2c2ccnn2C)C1 1035461599 WUPMLRJNWUZPSW-BFHYXJOUSA-N 302.378 -0.026 30 20 DBED CC#CCN1CCO[C@@H](CNC(=O)[C@H]2CCN(C(C)=O)C2)C1 1035593175 MNUQDMITDIHQIJ-GJZGRUSLSA-N 307.394 -0.305 30 20 DBED C#CCCN1CCO[C@H](CNC(=O)c2cccnc2C(N)=O)C1 1035610719 PACVZBAIMKAGIW-GFCCVEGCSA-N 316.361 -0.366 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@H](NCC(N)=O)[C@H](C)C2)cn1 1036264164 LPVQGIKKPHJIOX-RISCZKNCSA-N 300.362 -0.012 30 20 DBED N#Cc1cccc(CN2C[C@H]3C[C@H]2[C@@H]3NC(=O)Cn2cnnn2)c1 1037312359 UJBDPOMKYZQRHL-IJEWVQPXSA-N 323.360 -0.066 30 20 DBED Cn1nnnc1CN1CC[C@@H]1CNC(=O)c1cc(C#N)c[nH]1 1038150862 GCEKMGHQXQBEBC-SNVBAGLBSA-N 300.326 -0.586 30 20 DBED C=CCCCC(=O)N1CC[C@](O)(CNC(=O)c2ncn(C)n2)C1 1039619122 ATLKVOXMQAHQML-HNNXBMFYSA-N 321.381 -0.135 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@]1(O)CCN(C(=O)CSC)C1 1039720637 CRUQWVUWPVEBAR-BXUZGUMPSA-N 314.407 -0.533 30 20 DBED C=CCCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)[C@@H](C)C#N)C1 1041874026 NBUNDBKMBYJGIY-RYUDHWBXSA-N 309.366 -0.183 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)[C@@H](C2CC2)N(C)C)C1 1041963592 UQTDFHCUNPFJBQ-CQSZACIVSA-N 309.410 -0.018 30 20 DBED C[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1NC(=O)[C@H]1CCNC1=O 1042400190 LJJPNYYQHYYEEX-ADEWGFFLSA-N 314.349 -0.575 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)c2coc(C)n2)C1 1042744798 YCFSZENNELQIJM-UHFFFAOYSA-N 309.322 -0.511 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)c2csnn2)C1 1042807372 RHFPZDIFZXGYLC-UHFFFAOYSA-N 308.363 -0.355 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)[C@@H]2CCCCO2)C1 1042936156 BOOSXRJMQFTUIH-ZDUSSCGKSA-N 308.378 -0.096 30 20 DBED C=CCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCCNC2=O)C1 1043469990 BTZHPMQYECOJET-GFCCVEGCSA-N 323.393 -0.442 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)c2cnnc(O)c2)C1 1043483462 QVXJASDKULWJJR-UHFFFAOYSA-N 318.333 -0.711 30 20 DBED Cc1ccc(C#N)c(N2C[C@H](O)[C@H](NC(=O)[C@@H]3CCOC3)C2)n1 1043868726 YRXMWYKRTLEVCZ-MCIONIFRSA-N 316.361 -0.036 30 20 DBED Cc1ncoc1C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1043905727 VJQIDTGJVVWMME-ZJUUUORDSA-N 314.305 -0.376 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)[C@H]2CCNC2=O)C1 1044456627 XRQAGFVOGYFLPX-JTQLQIEISA-N 309.366 -0.976 30 20 DBED C#CCCN1CC[C@@H](N2CCN(C(=O)[C@@H]3COC(=O)N3)CC2)C1 1046025353 XHAWISYYHWTOIF-KGLIPLIRSA-N 320.393 -0.663 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)C2(CC)CC2)C1 1046149314 DTTIAASMLSIEDC-LBPRGKRZSA-N 308.378 -0.096 30 20 DBED Cn1nnc(C(=O)NC[C@H]2C[C@H](Nc3nccnc3C#N)C2)n1 1046992233 XZHYYSQCZPRMFC-KYZUINATSA-N 313.325 -0.508 30 20 DBED C=C(C)CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCNC2=O)C1 1047418089 ZZONUTIOOZCCCP-RDBSUJKOSA-N 309.410 -0.018 30 20 DBED Cc1cnc2c(C(=O)N(C)[C@H]3CN(CC#N)C[C@@H]3O)cnn2c1 1047550242 VDVVDSCIYICXBT-STQMWFEESA-N 314.349 -0.322 30 20 DBED CNC(=O)CN1C[C@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2C1 1048749687 KRFBYCVOZRDNLO-TXEJJXNPSA-N 301.350 -0.364 30 20 DBED C#CCCCC(=O)N(C)[C@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@@H]1O 1048753800 GDLKPPXPMPGUSA-RYUDHWBXSA-N 323.393 -0.669 30 20 DBED C=CCCOCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2ncc[nH]2)C1 1048798850 NMYZYMKHFIALCE-RYUDHWBXSA-N 322.365 -0.354 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cnon2)C1 1049289297 WZRHVBPPNUSXMZ-RYUDHWBXSA-N 306.322 -0.627 30 20 DBED Cn1cc(C(=O)N2CCC[C@H]3[C@H]2CCN3CC#N)ncc1=O 1049605581 PLTYLCONDQXDNC-QWHCGFSZSA-N 301.350 -0.017 30 20 DBED C=C(Cl)CN1CCOC[C@H]1CNC(=O)C1CS(=O)(=O)C1 1050936602 KTBFUCUGFFSMKD-LLVKDONJSA-N 322.814 -0.400 30 20 DBED Cn1cnc2c(C(=O)NC[C@@H]3COCCN3CC#N)ccnc21 1051102133 IUFGIYUQYJDVGK-LLVKDONJSA-N 314.349 -0.078 30 20 DBED CNC(=O)c1ccc(C(=O)NC[C@H]2COCCN2CC#N)cn1 1051210976 RNZGBHGASILAEK-LBPRGKRZSA-N 317.349 -0.605 30 20 DBED CCC(=O)N1CC[C@H](C(=O)N[C@H]2COC3(C2)CN(CC#N)C3)C1 1053976059 BVCQMOGXJIGPJG-QWHCGFSZSA-N 320.393 -0.272 30 20 DBED Cc1nonc1CC(=O)N1CCN(c2cnc(C#N)cn2)CC1 1055892190 IOIJRWVJUMDGOT-UHFFFAOYSA-N 313.321 -0.069 30 20 DBED C[C@H](C#N)C(=O)N[C@@]1(CO)CCCN(C(=O)c2cnn(C)n2)C1 1056097986 YAQIZVRPIKMHEV-YGRLFVJLSA-N 320.353 -0.942 30 20 DBED CN(c1cnc(C#N)cn1)[C@@H]1CCN(C(=O)CS(C)(=O)=O)C1 1056854853 JTMVSLDMSMURKD-LLVKDONJSA-N 323.378 -0.570 30 20 DBED C#CCNC(=O)CC(=O)NCCN(CCO)C(=O)C=C(C)C 1056871046 SMIIDGLAJMFMRN-UHFFFAOYSA-N 309.366 -0.971 30 20 DBED CCOCCC(=O)N(CCO)CCNC(=O)CSCC#N 1057186699 QKRCOUXVKIWFPG-UHFFFAOYSA-N 317.411 -0.393 30 20 DBED C#CCOCCC(=O)N(CCO)CCNC(=O)c1cccn1C 1057581101 LQGBXIBUZXZERD-UHFFFAOYSA-N 321.377 -0.384 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)Cn1ccnc1C 1057643650 GEXGBCFRGSZOFH-UHFFFAOYSA-N 324.381 -0.669 30 20 DBED Cc1cnn(CCC(=O)N(CCO)CCNC(=O)[C@H](C)C#N)c1 1057860940 AVRQCAIYWPTADO-CYBMUJFWSA-N 321.381 -0.322 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)c1cnc2n1CCC2 1057961476 ZMJRGNCOACZLNP-NSHDSACASA-N 319.365 -0.460 30 20 DBED Cc1nsc(N2CC[C@H](NC(=O)Cn3cnnn3)C2)c1C#N 1058308320 NVORDADVVLFRLC-VIFPVBQESA-N 318.366 -0.295 30 20 DBED C=CCCCC(=O)N(CCO)CCNC(=O)COCCOC 1058622064 ZIIIJIWYTBFISQ-UHFFFAOYSA-N 316.398 -0.057 30 20 DBED N#Cc1nc(=N[C@H]2CCN(C(=O)CO[C@H]3CCOC3)C2)cc[nH]1 1058967062 BQFYKWSYFSKKDU-RYUDHWBXSA-N 317.349 -0.412 30 20 DBED CN1CCO[C@@H](C(=O)N[C@H]2C[C@H](N=c3cc[nH]c(C#N)n3)C2)C1 1059170620 JGXGVBDGFVOPJF-IJLUTSLNSA-N 316.365 -0.840 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@H]1COCCN1C(=O)c1cocn1 1061542566 KZQZKNJNNRDFFT-XHDPSFHLSA-N 323.349 -0.041 30 20 DBED Cc1nnccc1C(=O)N1CCOC[C@@H]1CNC(=O)[C@@H](C)C#N 1061848970 XMYCPNRLYMYTGP-JQWIXIFHSA-N 317.349 -0.098 30 20 DBED O=C(Cc1cnc[nH]1)NC[C@@H]1COCCN1C(=O)C#CC1CC1 1061931221 FAGNXPBGEYAFNM-CQSZACIVSA-N 316.361 -0.291 30 20 DBED C[C@@H](C#N)C(=O)N1CCCC[C@@H]1CNC(=O)CCNC(N)=O 1062333831 DZAGSEKTIPWSAD-WDEREUQCSA-N 309.370 -0.298 30 20 DBED C#CCNC(=O)CC(=O)NCC1(NC(=O)C[C@@H](C)OC)CCC1 1062829141 AYEVNLAMFQEACX-GFCCVEGCSA-N 323.393 -0.294 30 20 DBED N#Cc1nccc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)Cn2nccn2)n1 1064300608 CUFFAKVTKBMIFE-BFVZDQMLSA-N 310.321 -0.667 30 20 DBED C=CC(C)(C)C(=O)N1CCO[C@@H](CNC(=O)CNC(N)=O)C1 1065420244 JELSKXCGJCKAFG-JTQLQIEISA-N 312.370 -0.790 30 20 DBED C[C@H](C#N)C(=O)N(C)CCCN(C)C(=O)C(=O)NCC1CC1 1068037227 LKWOYSVPICNRCC-LLVKDONJSA-N 308.382 -0.021 30 20 DBED C=CC(C)(C)CC(=O)N1CC2(CN(C(=O)CC(N)=O)CCO2)C1 1068364080 YKNYRMCOOKLMDB-UHFFFAOYSA-N 323.393 -0.096 30 20 DBED CC(C)N(C)CC(=O)N1CCOC2(C1)CN(C(=O)[C@@H](C)C#N)C2 1068405611 KOIWVNNCQBEXGY-ZDUSSCGKSA-N 322.409 -0.074 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1COC2(C1)CN(C(=O)CCC)C2 1068818743 BFDWPIIXXXTJJC-LBPRGKRZSA-N 321.377 -0.588 30 20 DBED CCOCC(=O)N1CC2(C[C@H](NC(=O)C#CC3CC3)CO2)C1 1068860446 LAKPVWQNAOBBQI-ZDUSSCGKSA-N 306.362 -0.078 30 20 DBED Cc1cc(C#N)nc(N2CC[C@]3(NC(=O)C(N)=O)CCC[C@@H]23)n1 1069282046 GZJIVXUAUBTYMT-IAQYHMDHSA-N 314.349 -0.240 30 20 DBED C=C(C)CN1CCn2ncc(CNC(=O)[C@@H]3COC(=O)N3)c2C1 1069859437 UVYAAFGWBNBILD-LBPRGKRZSA-N 319.365 -0.001 30 20 DBED C=C(Cl)CN1C[C@H](n2ccnn2)[C@H](NC(=O)c2nc[nH]n2)C1 1070055689 KRFUGPLPXNXGLW-ZJUUUORDSA-N 322.760 -0.196 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)c2cnon2)CCOCC1 1070214354 BBWZMYHETPQUPQ-SECBINFHSA-N 307.310 -0.376 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)Cc2cnc[nH]2)CCOCC1 1070232276 GBLNPAWFNYYNLV-NSHDSACASA-N 319.365 -0.107 30 20 DBED Cn1cncc1[C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@H]1NCC#N 1070657743 IKUIONWOAJNRJY-GHMZBOCLSA-N 318.381 -0.661 30 20 DBED CN1C(=O)CC[C@H]1C(=O)N1C[C@@H]2C[C@@H]3CN(CC#N)C[C@]2(C1)O3 1070836308 SMUHRSPQHOBUNG-RSUWNVLCSA-N 318.377 -0.568 30 20 DBED N#CCN[C@@H]1CCO[C@H]1C1CCN(C(=O)Cn2nccn2)CC1 1071058938 MNMYRNUMOLXUPR-HIFRSBDPSA-N 318.381 -0.213 30 20 DBED C=CCN1CC[C@@]2(C1)CN(C(=O)c1nnn(C)n1)C[C@H](C)O2 1071196881 JVMFMUQDPRIPFP-SMDDNHRTSA-N 306.370 -0.299 30 20 DBED C[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1NC(=O)C#CC(C)(C)C 1072543109 HMHHELHRNGGCHV-GHMZBOCLSA-N 318.381 -0.164 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCN(C(=O)C2CC2)C[C@@H]1C 1073890154 GBRISLDTURDXFX-WCQYABFASA-N 305.378 -0.111 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)CN3CCCNC3=O)C[C@@H]21 1074284986 UNPIQONUKGYFLP-KBPBESRZSA-N 320.393 -0.663 30 20 DBED C=CCCC(=O)NCC1(O)CCN(C(=O)CNC(N)=O)CC1 1074458264 FLLIERXZFFQOCY-UHFFFAOYSA-N 312.370 -0.909 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(C(=O)Cn2cnnn2)[C@H](C)C1 1074891789 LAUCUYFRLVYKFE-NEPJUHHUSA-N 322.369 -0.629 30 20 DBED C#CCOCCC(=O)NCC[C@H](C)NC(=O)CCCC(N)=O 1076507489 IYFNHYCRWCXRJK-LBPRGKRZSA-N 311.382 -0.307 30 20 DBED C[C@@H](CCNC(=O)CCCS(C)(=O)=O)NC(=O)[C@@H](C)C#N 1077331715 BJECKWBLZVNVDR-QWRGUYRKSA-N 317.411 -0.018 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3nncn3CC2)C1 1077410933 JPEVHVZUGFTMLM-JHJVBQTASA-N 303.366 -0.975 30 20 DBED CN1C(=O)CN(CC(=O)N[C@H]2C[C@@H](NCC#N)C23CCC3)C1=O 1078783898 OVAAKMQMFXLTOY-MNOVXSKESA-N 319.365 -0.579 30 20 DBED COCC(=O)NC1(CO)CCN(C(=O)CSCC#N)CC1 1080674262 ZHJMHAFWXTUFLS-UHFFFAOYSA-N 315.395 -0.641 30 20 DBED C=CCOCC(=O)N1CCC(CO)(NC(=O)[C@@H](C)OC)CC1 1080751567 OJKTZQIFAOQGQV-GFCCVEGCSA-N 314.382 -0.306 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(C(=O)C2=CCOCC2)C[C@H]1O 1081471549 PDEHUCIODTYQCS-HUUCEWRRSA-N 318.373 -0.318 30 20 DBED CC(C)(C)C#CC(=O)NC[C@@H]1CN(C(=O)c2cnn[nH]2)C[C@@H]1O 1081477353 RRQLTGRZOFAYEN-PWSUYJOCSA-N 319.365 -0.597 30 20 DBED C#CCOCCC(=O)NC[C@H]1CN(C(=O)c2cocn2)C[C@H]1O 1081488258 GDIUECLLFZDVJI-WCQYABFASA-N 321.333 -0.736 30 20 DBED Cc1n[nH]cc1C(=O)NC[C@H]1CN(C(=O)C#CC(C)C)C[C@H]1O 1081636126 ZJXFKCRJUQUMLK-GXTWGEPZSA-N 318.377 -0.073 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cccnn2)C1 1081686901 BPOKBBDNDDMBPJ-OCCSQVGLSA-N 316.361 -0.315 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)c2nn3c(c2C)OCCC3)C1 1083508651 SZENTZXNPQGYDX-OLZOCXBDSA-N 318.377 -0.228 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)c2nnn(C(C)C)c2C)C1 1083899829 VHVFZFUXYNTUNZ-OLZOCXBDSA-N 305.382 -0.034 30 20 DBED C=CCN1CC[C@@H]2CN(C(=O)c3nccnc3C(N)=O)[C@@H]2C1 1084820493 ZYUZMICLLYFAKG-GHMZBOCLSA-N 301.350 -0.092 30 20 DBED C=CCN[C@@H]1CCCC[C@H]1NC(=O)c1cn(C)c(=O)n(C)c1=O 1085351661 UVJVKSZRCPJAQP-CHWSQXEVSA-N 320.393 -0.099 30 20 DBED C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H]2CCS(=O)(=O)N2)C1 1086274848 AYZGCSZEOPCVEL-AXFHLTTASA-N 321.830 -0.085 30 20 DBED C[C@@H](C[C@H](C)Nc1ccc(C#N)nn1)NC(=O)c1nnn(C)n1 1089450484 PEELFLLCHISBLC-IUCAKERBSA-N 315.341 -0.119 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(c2nccn3nnnc23)C[C@H]1C 1090669788 FKPKCHAPZQTKEB-GHMZBOCLSA-N 317.353 -0.337 30 20 DBED Cc1nc(C)c(CC(=O)N[C@H]2CCN(CC#N)C[C@H]2O)c(O)n1 1090804387 IAAOBIOYQYWGPC-QWHCGFSZSA-N 319.365 -0.583 30 20 DBED CCCCOCC(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1091079912 ZOSNWLVRZZCOIW-OLZOCXBDSA-N 319.365 -0.169 30 20 DBED COC[C@@H](C)C(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@@H]1O 1091088594 IZCDALMGLWJFMB-QKCSRTOESA-N 304.350 -0.099 30 20 DBED CC(=O)NCC(=O)NC[C@H]1C[C@@H](N=c2cc[nH]cc2C#N)C1 1091304435 ALKFVVKDQZRICQ-BJHJDKERSA-N 301.350 -0.182 30 20 DBED Cc1cc(=NCCNC(=O)[C@@H]2CCNC(=O)C2)c(C#N)c[nH]1 1093546662 LMEQFQXVMMYEBQ-LLVKDONJSA-N 301.350 -0.262 30 20 DBED CCc1nc(C#N)cc(NCCNC(=O)[C@@H]2CCN(C)C2=O)n1 1094046663 BGOJIPQGDCXQHF-NSHDSACASA-N 316.365 -0.083 30 20 DBED N#Cc1ccc(NCCNC(=O)[C@@H]2CN3CCC[C@H]3CO2)nn1 1094203176 LULBQLMRYWXGBA-STQMWFEESA-N 316.365 -0.260 30 20 DBED C[C@@]1(C(=O)NCCNc2nccnc2C#N)CCNC(=O)C1 1094233487 KZTSRRRTOSNJKG-CQSZACIVSA-N 302.338 -0.207 30 20 DBED Cc1cc(C#N)nc(NCCNC(=O)c2nnc(O)nc2O)n1 1094253771 YEAJCXKWAVMUTL-UHFFFAOYSA-N 316.281 -0.905 30 20 DBED C#CCN1CC(n2cc(CNC(=O)c3cc(C)on3)nn2)C1 1094271484 XTDIUABCLCVWAU-UHFFFAOYSA-N 300.322 -0.006 30 20 DBED N#CCN1CC(N2C[C@H](NC(=O)C[C@H]3CCCCO3)CC2=O)C1 1094720331 LITLZIJPBNLLKT-TZMCWYRMSA-N 320.393 -0.130 30 20 DBED N#Cc1nccc(N2CCCN(C(=O)CCNC(N)=O)CC2)n1 1095180991 POAGMKOERCKKQI-UHFFFAOYSA-N 317.353 -0.555 30 20 DBED C=CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cn1ccc(O)nc1=O 1095703198 NAEBIKNLRONRDO-WOPDTQHZSA-N 304.350 -0.144 30 20 DBED CNC(=O)NCC(=O)N[C@H]1CCCN(c2ccc(C#N)cn2)C1 1096239117 AGIRTOPKTZEETC-LBPRGKRZSA-N 316.365 -0.033 30 20 DBED N#Cc1cnc(N2CC[C@H](NC(=O)CNC(N)=O)C2)c(Cl)c1 1096322912 RGRGHGYHTNHKGT-VIFPVBQESA-N 322.756 -0.030 30 20 DBED CC[C@@H](NC(C)=O)C(=O)N[C@@H]1CCN(c2ccc(C#N)nn2)C1 1096487035 ZXZCCVGVKKYGRS-CHWSQXEVSA-N 316.365 -0.042 30 20 DBED Cc1cc(=N[C@H](CNC(=O)CC(N)=O)C2CC2)c(C#N)c[nH]1 1096628243 UQPBIXVVASTGHM-CYBMUJFWSA-N 301.350 -0.134 30 20 DBED N#Cc1nccnc1N[C@H]1CCN(C(=O)CCNC(N)=O)C1 1096938586 ZSJITROIKXMWRB-VIFPVBQESA-N 303.326 -0.581 30 20 DBED C[C@H](CNC(=O)[C@@H]1COCCN1C)N=c1cc[nH]cc1C#N 1097765469 SWOYKGQNESZGEH-RISCZKNCSA-N 303.366 -0.378 30 20 DBED C[C@H](CNC(=O)C(=O)NCC(F)F)N=c1cc[nH]cc1C#N 1098134593 BVOWYJKAZQTNFZ-MRVPVSSYSA-N 311.292 -0.327 30 20 DBED CNC(=O)NCC(=O)NC[C@@H](C)Nc1ncc(C#N)cc1F 1098339259 XCVQKYDZISYHGR-MRVPVSSYSA-N 308.317 -0.062 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCC(N(CC#N)CCO)CC1 1098396185 VDDMNWNVFQXTMI-INIZCTEOSA-N 318.421 -0.107 30 20 DBED C=CCN(CCO)C1CCN(C(=O)CS(=O)(=O)CC)CC1 1098571815 XFRXUHNNJHLKMS-UHFFFAOYSA-N 318.439 -0.108 30 20 DBED C[C@@H]1CN(C(=O)C2(C(N)=O)CC2)CC2(CCN(CC#N)CC2)O1 1098630235 CMGLHNPOSXVZMI-GFCCVEGCSA-N 320.393 -0.143 30 20 DBED N#CCN1C[C@@H]2CCC[C@]2(NC(=O)CC2CS(=O)(=O)C2)C1 1098910127 GLZOGZSHZZVAKZ-JSGCOSHPSA-N 311.407 -0.085 30 20 DBED Cn1ncnc1CN1CC[C@@H](NC(=O)C#CC(C)(C)C)[C@H](O)C1 1099830100 MUOMPJVPHMQWCA-CHWSQXEVSA-N 319.409 -0.084 30 20 DBED C=CCCN1CC[C@H](NC(=O)C2(C(=O)N(C)C)CC2)[C@@H](O)C1 1100071915 LVDKGUNOUWIRKD-STQMWFEESA-N 309.410 -0.018 30 20 DBED CN(CCNC(=O)CN1C(=O)CCC1=O)c1ccc(C#N)nc1 1100102465 KAFMKFDLXAAQCW-UHFFFAOYSA-N 315.333 -0.345 30 20 DBED CCN(CCNC(=O)CC(=O)NC)c1nc(C)cc(C#N)n1 1100516561 SBOZHFSEONFPSC-UHFFFAOYSA-N 304.354 -0.265 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)CC(N)=O)c3nccn32)C1 1101619424 WFJNWNPIFHAKJM-LLVKDONJSA-N 301.350 -0.646 30 20 DBED CN(CCN=c1cc[nH]cc1C#N)C(=O)CCn1cnnn1 1101740082 QJXQBXOZOFIVAB-UHFFFAOYSA-N 300.326 -0.678 30 20 DBED C[C@@H]1C[C@H](C(=O)N(C)CCN=c2cc[nH]c(C#N)n2)CC(=O)N1 1101839367 QKRXZJXOFCLOOL-MNOVXSKESA-N 316.365 -0.445 30 20 DBED CN(CCNc1cnc(C#N)cn1)C(=O)[C@]1(C)CNC(=O)C1 1101877360 VTOUQCNRVYTGNQ-AWEZNQCLSA-N 302.338 -0.255 30 20 DBED COCC#CCN1C[C@@H](C)[C@H](CNC(=O)[C@@H](C)CC(N)=O)C1 1102222650 BHSUOGHNPDRCJF-BFHYXJOUSA-N 309.410 -0.168 30 20 DBED CCNC(=O)CC(=O)N(C)[C@@H]1CCN(c2cncc(C#N)n2)C1 1102695768 MQGLBFRTRJFSAG-GFCCVEGCSA-N 316.365 -0.088 30 20 DBED COCC(=O)N[C@H](C)C(=O)NCC[C@@H]1CN(CC#N)C[C@H]1C 1103020306 OEHRTNOFOAOEBW-JHJVBQTASA-N 310.398 -0.265 30 20 DBED CC[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)N=c1cc(C)[nH]cc1C#N 1103277741 NYAVVOOEFDRNON-AAEUAGOBSA-N 316.365 -0.328 30 20 DBED C[C@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)CNc1cncc(C#N)n1 1104177365 SNNJWIFZJRJBEZ-ONGXEEELSA-N 317.353 -0.464 30 20 DBED C[C@@H]1CN(C(=O)CN2CC(=O)N(C)C2=O)C[C@H]1CCNCC#N 1104901866 WYWSVPVYYCEUET-VXGBXAGGSA-N 321.381 -0.522 30 20 DBED C=CCC[C@@H](C)NCc1cn(C2CN(C(=O)CC(N)=O)C2)nn1 1105197306 OBJUSXFPYZFTPY-LLVKDONJSA-N 320.397 -0.019 30 20 DBED Cc1cc(=NC[C@H](O)CNC(=O)c2cn[nH]c2)c(C#N)c[nH]1 1105718332 LJXKIWKZGJJAOG-LBPRGKRZSA-N 300.322 -0.391 30 20 DBED Cc1cc(=NC[C@@H](O)CNC(=O)[C@H]2CCCN2C)c(C#N)c[nH]1 1105754872 INPOOHJYHJWWOK-UKRRQHHQSA-N 317.393 -0.333 30 20 DBED CCNC(=O)CC(=O)NC[C@@H](O)CN=c1cc(C)[nH]cc1C#N 1105794741 KWUDOZFIGUOJNX-LBPRGKRZSA-N 319.365 -0.901 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H](O)CNc1ccc(C#N)nc1 1105970385 GROOLAGPVGUPMP-FZMZJTMJSA-N 302.334 -0.119 30 20 DBED C#CCOCCC(=O)NC[C@H](O)CN=c1cc(C)[nH]cc1C#N 1105970475 IEFSZXCSCTWWIH-CQSZACIVSA-N 316.361 -0.388 30 20 DBED COC1CC(C(=O)NC[C@@H](O)CNc2ccc(C#N)nn2)C1 1105997652 YCPJMSZUVXGXOO-ZYXZCXLHSA-N 305.338 -0.338 30 20 DBED CC(=O)N[C@H](C)C(=O)NC/C=C\CNc1nccnc1C#N 1107020068 AIMMWHXBLFLOJQ-UMBAGQNISA-N 302.338 -0.043 30 20 DBED N#Cc1nc(=NC/C=C\CNC(=O)CCCC(N)=O)cc[nH]1 1107239174 HBJOYVQXUFCBFZ-UPHRSURJSA-N 302.338 -0.490 30 20 DBED N#Cc1ccc(NC/C=C/CNC(=O)[C@H]2CCCNC2=O)nn1 1107390305 UMULNNDELIAKOP-YYRQZUAOSA-N 314.349 -0.041 30 20 DBED C=CCCN1CC(N2C[C@H](NC(=O)CN(C)C(C)=O)CC2=O)C1 1108510271 AOOOLWHNRAQJRJ-CYBMUJFWSA-N 322.409 -0.558 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1 1108594219 MKRPMCLOYGLBCG-RYUDHWBXSA-N 306.366 -0.498 30 20 DBED CC(=O)N1CC(C(=O)N[C@@H](C)CN(C)c2cnc(C#N)cn2)C1 1108917788 OELKIOMMSXGFNU-JTQLQIEISA-N 316.365 -0.233 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cc1ccon1 1110408113 PEKXQQPICVONEY-MCIONIFRSA-N 316.361 -0.312 30 20 DBED CNC(=O)NCC(=O)N1CCC[C@H]1CNc1nccnc1C#N 1110565214 NPTUFQKQCUZLDP-JTQLQIEISA-N 317.353 -0.320 30 20 DBED CC1(NC(=O)CC(N)=O)CCN(c2cnc(C#N)cn2)CC1 1110589333 LIZLERIOEDHRMB-UHFFFAOYSA-N 302.338 -0.301 30 20 DBED COc1cc(C)nc(N2C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)C#N)C2)n1 1111176856 RGMNERUTXBZWRH-DLOVCJGASA-N 319.365 -0.039 30 20 DBED C=C[C@@](C)(O)CC(=O)N(CCO)CCNc1cncc(C#N)n1 1111467051 TZCMUKGBWBHBRW-OAHLLOKOSA-N 319.365 -0.092 30 20 DBED C[C@H]1CN(c2cnc(C#N)cn2)CC[C@H]1NC(=O)CC(N)=O 1112396440 VRNTXAPMZRCGKF-GXSJLCMTSA-N 302.338 -0.445 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)c2cnsn2)CC1 1112644931 AZACLBJOUNWKQD-SNVBAGLBSA-N 309.395 -0.013 30 20 DBED CC(C)OCC(=O)NC[C@H]1CN(c2cnc(C#N)cn2)C[C@H]1O 1112708869 ATPSSIAKDMNEKC-WCQYABFASA-N 319.365 -0.313 30 20 DBED C=CCCC(=O)NC[C@H]1CN(c2ccc3nnnn3n2)C[C@H]1O 1112715716 PZACWLLFBQLCNA-WDEREUQCSA-N 317.353 -0.601 30 20 DBED Cc1ccc(C#N)c(N(C)[C@H](C)CNC(=O)[C@@H]2CNC(=O)N2)n1 1113870547 YZKXQXACPGWCIH-PWSUYJOCSA-N 316.365 -0.116 30 20 DBED C=CCOCCN1C[C@H]2[C@H](NC(=O)[C@@]3(C)CCNC3=O)[C@H]2C1 1114826760 QTCMCPAAKJPOFO-VLXAULBPSA-N 307.394 -0.238 30 20 DBED C#CCCN1C[C@H]2[C@H](NC(=O)CCCN3C(=O)CNC3=O)[C@H]2C1 1115218581 GMCGYAYEHOTBNJ-JYAVWHMHSA-N 318.377 -0.612 30 20 DBED C[C@@H](CN(C)C(=O)Cn1cnnc1O)Nc1ccc(C#N)nn1 1115687135 KACAWQRYSXBWIG-VIFPVBQESA-N 316.325 -0.396 30 20 DBED Cn1c(=O)c2c(ncn2CC(=O)NCCCCC#N)n(C)c1=O 1115989256 VVMOVHRVDCZWCC-UHFFFAOYSA-N 318.337 -0.756 30 20 DBED C=CCS(=O)(=O)CCNC(=O)CN1CCC(CO)CC1 1120633907 WPRIXMLWZVENSC-UHFFFAOYSA-N 304.412 -0.592 30 20 DBED C[C@](O)(CC(=O)NC[C@H](CO)Nc1cncc(C#N)n1)C1CC1 1121340422 XEMYDYZAUSVTND-DOMZBBRYSA-N 319.365 -0.212 30 20 DBED N#Cc1c[nH]ccc1=N[C@H](CO)CNC(=O)Cc1ncc[nH]1 1121978302 ZLKZHXYRUBJDMZ-NSHDSACASA-N 300.322 -0.770 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H](CO)Nc1cnc(C#N)cn1 1122034597 BSNPKRXQPMJSFV-CMPLNLGQSA-N 303.322 -0.724 30 20 DBED COCC1(C(=O)NC[C@@H](CO)Nc2ccc(C#N)nn2)CC1 1122246669 UCXXYQMNLXUEJT-NSHDSACASA-N 305.338 -0.336 30 20 DBED N#Cc1cnc(N[C@@H](CO)CNC(=O)[C@H]2C[C@H]2C(N)=O)c(F)c1 1122567110 IAISYLIJNNVPQS-BBBLOLIVSA-N 321.312 -0.897 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)c2cnc(C)cn2)C1=O 1122922150 XIBAFPFFDRLZQQ-LBPRGKRZSA-N 303.366 -0.109 30 20 DBED CNC(=O)CC(=O)N1CC[C@@H](N=c2cc[nH]c(C#N)n2)[C@H]1C 1122972501 VUWCGPGDZYRFFE-NXEZZACHSA-N 302.338 -0.692 30 20 DBED C[C@@H]1C[C@H](N=c2cc[nH]c(C#N)n2)CN1C(=O)CC(=O)N(C)C 1123333100 YKCZKJCKWJFERB-MNOVXSKESA-N 316.365 -0.350 30 20 DBED CCOCC(=O)N(C)C[C@@H](O)CN=c1cc(C)[nH]cc1C#N 1124071873 GPHBVBGPHJAJTB-ZDUSSCGKSA-N 306.366 -0.049 30 20 DBED CN(C[C@@H](O)CNc1ccc(C#N)nc1)C(=O)c1nc[nH]n1 1124460569 OQBDBRHXFQJSOA-NSHDSACASA-N 301.310 -0.384 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]cc1C#N)C(=O)c1cnon1 1124466434 QQGQKFQCDNGEDU-JTQLQIEISA-N 302.294 -0.697 30 20 DBED C=CCCO[C@H](C)C(=O)NCCN[C@H](C)C(=O)NC(N)=O 1124495904 SUPPOSXMDCYNGB-NXEZZACHSA-N 300.359 -0.743 30 20 DBED CNS(=O)(=O)c1ccc(CNCCNC(=O)[C@H](C)C#N)cc1 1124903551 RIEHFPQHNAFYKP-LLVKDONJSA-N 324.406 -0.040 30 20 DBED N#Cc1ccc(C(=O)NCCNCC(=O)NC2CCOCC2)[nH]1 1125776555 RNQBPUJYUCFNEK-UHFFFAOYSA-N 319.365 -0.499 30 20 DBED C=C(C)CN(CC)C(=O)CNCCNC(=O)[C@H](C)NC(N)=O 1126204630 SNDSDFJCEJLONV-NSHDSACASA-N 313.402 -0.826 30 20 DBED C#CCN[C@@H]1CCN(c2cccc(CNC(=O)CC(N)=O)n2)C1 1127826188 DAIASEXEYDSHEP-CYBMUJFWSA-N 315.377 -0.625 30 20 DBED COc1ccc(CC(=O)NCCNCC(=O)NCC#N)c(C)c1 1128180055 WALCDJJAHJBZBO-UHFFFAOYSA-N 318.377 -0.108 30 20 DBED Cc1nonc1CC(=O)NCc1cnn2c1CN(CC#N)CC2 1128536217 SDBKSFFYQMBEJA-UHFFFAOYSA-N 315.337 -0.227 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(CCCO)C[C@@H]1n1ccnn1 1129476399 GXSMWKUUVRTWAQ-KGLIPLIRSA-N 323.397 -0.405 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)C(F)F)C[C@@H]1n1ccnn1 1129521549 LSBVUDDQLOFIBJ-MNOVXSKESA-N 313.308 -0.466 30 20 DBED C#CCOCCC(=O)N1C[C@H](n2ccnn2)[C@H](NC[C@@H](C)O)C1 1129837834 MWBZOFOQMHZJAM-MCIONIFRSA-N 321.381 -0.960 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)CN2CC[C@H](C)C2)C1=O 1133845466 GNOKGJFKYBFBKT-UONOGXRCSA-N 308.426 -0.179 30 20 DBED C=CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)CCc1nc[nH]n1 1134044085 UXENNYIHSSDCIM-RYUDHWBXSA-N 322.413 -0.088 30 20 DBED C[C@@H](NS(C)(=O)=O)C(=O)NCCNCC#Cc1ccccc1 1134353632 VMTFVIJVXKBHIK-CYBMUJFWSA-N 323.418 -0.318 30 20 DBED CCCOCC(=O)N1CC2(CCN(CC(=O)NCC#N)C2)C1 1147139138 IBXMOOZDGYDQDE-UHFFFAOYSA-N 308.382 -0.413 30 20 DBED C#CCCCC(=O)N1CC2(CCN(CC(=O)NCC#N)C2)C1 1147439766 GJWACFCYJWXMJV-UHFFFAOYSA-N 302.378 -0.036 30 20 DBED NC(=O)NC(=O)CN1CCC2(C1)CN(C(=O)C#CC1CC1)C2 1147514554 OOOJBPSOXAOUDZ-UHFFFAOYSA-N 304.350 -0.871 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC2(CCN(C[C@H](O)COC)C2)C1 1147530257 HVNSRIKOARSRAD-KBPBESRZSA-N 310.394 -0.434 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)c1conc1COC 1147556752 HJKPAYWEIYIJRZ-SNVBAGLBSA-N 310.354 -0.169 30 20 DBED N#Cc1cc(CNCCCNC(=O)Cn2cnnn2)ccc1F 1154502035 AIBQKBYOVJKOTQ-UHFFFAOYSA-N 317.328 -0.020 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@@]1(C)CCNC(=O)C1 1160890159 XBUCGWUWVIYYQM-HNNXBMFYSA-N 310.398 -0.699 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)[C@H]1CCCCN1C 1161051958 DNKYFWPVRQTPQC-UONOGXRCSA-N 308.426 -0.296 30 20 DBED N#Cc1ccc(CNCCCNC(=O)[C@H]2CNC(=O)N2)cc1 1165467753 PHNSLYWEKBHPJW-CYBMUJFWSA-N 301.350 -0.164 30 20 DBED C=CCNC(=O)CNCCCNC(=O)C(=O)N1CCC(C)CC1 1167733708 DZBOZEJPNHZEMW-UHFFFAOYSA-N 324.425 -0.357 30 20 DBED CC#CCNCCCC[C@@H](C)NC(=O)CN1CC(=O)NC1=O 1175755478 SHVPWYNDPYYXCU-GFCCVEGCSA-N 308.382 -0.174 30 20 DBED C#CCNC(=O)CNCCCCCCNC(=O)CNC(C)=O 1177774789 BCWWIDHMNGBZCV-UHFFFAOYSA-N 310.398 -0.862 30 20 DBED C#CCCN[C@H]1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)[C@H]1C 1179644535 KHHRBNOJVYNVML-AAEUAGOBSA-N 318.377 -0.700 30 20 DBED C=CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)c2cnn(C)n2)[C@H]1C 1179714916 QRVYRSRTXOOXNJ-SRVKXCTJSA-N 320.397 -0.302 30 20 DBED CC(C)(C)C#CC(=O)N1CC[C@@H](NCCNS(C)(=O)=O)C1 1182459383 UICXRZDAMQJSHB-GFCCVEGCSA-N 315.439 -0.224 30 20 DBED CC#CCNC[C@]1(C)CN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C[C@H]1C 1182767845 NYRJIJADOKFRHK-BFQNTYOBSA-N 320.393 -0.318 30 20 DBED CC#CCN[C@@H]1CCO[C@H](C2CCN(C(=O)C(N)=O)CC2)C1 1186086506 RFMCAWGCSYWICH-KGLIPLIRSA-N 307.394 -0.129 30 20 DBED CC[C@H](C)OCC(=O)N1CC[C@H](N(C)CC(=O)NCC#N)C1 1189718067 VQGFOMLRANCTQA-STQMWFEESA-N 310.398 -0.026 30 20 DBED CN(CC(=O)NCC#N)[C@@H]1CCN(C(=O)COC(C)(C)C)C1 1189752660 UNDWLYPETMYCKQ-GFCCVEGCSA-N 310.398 -0.026 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](N(C)Cc2n[nH]c(C)n2)C1 1189759667 BFSNTWDBVOOTDL-LBPRGKRZSA-N 318.381 -0.715 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)COCc2cc(C)no2)C1 1194046155 QGIVJRQWSQLHQY-ZIAGYGMSSA-N 307.350 -0.316 30 20 DBED COCC#CCN(C)[C@@H]1CCN(C(=O)[C@@H]2CCCN2C(N)=O)C1 1194470246 AYDSGIBQWCUFAR-KGLIPLIRSA-N 322.409 -0.288 30 20 DBED Cc1ccc(NC(=O)C(=O)N[C@@H]2CN(CC#N)C[C@H]2O)cc1 1198551922 ZWQHGJUTMGCURI-CHWSQXEVSA-N 302.334 -0.382 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@](C)(NC(C)=O)C(C)C)C1 1199260730 GWYODMWIEXWERO-IIAWOOMASA-N 309.410 -0.278 30 20 DBED C#CCNC(=O)CC(=O)N1CCC(NC[C@@H]2CCOC2)CC1 1200179430 UXLALLSGPLHECJ-ZDUSSCGKSA-N 307.394 -0.257 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)CN2C(=O)CCC2=O)CCCO1 1202021578 NBBDJRIAQGTVOT-CYBMUJFWSA-N 321.377 -0.634 30 20 DBED C#CCNC[C@@H]1CN(C(=O)[C@H](C)CS(C)(=O)=O)CCCO1 1202174148 QTPDMDZFFJDMKW-CHWSQXEVSA-N 316.423 -0.493 30 20 DBED CS(=O)(=O)NCCC(=O)N1C[C@H]2CC[C@H]1[C@@H](NCC#N)C2 1204408990 SDDBYJBDAUUOGK-SRVKXCTJSA-N 314.411 -0.582 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CN(CCN2C(=O)CNC2=O)C[C@H]1C 1206659806 RAUSKMIMWLDUFN-HBNTYKKESA-N 307.354 -0.866 30 20 DBED CCC[C@@H](C(=O)N1CCC[C@@H](NCC#N)C1)S(N)(=O)=O 1208756835 ALCZUUCLCGDETR-MNOVXSKESA-N 302.400 -0.452 30 20 DBED CC#CCCCC(=O)N1CCC[C@H](NCC(=O)NC(N)=O)C1 1209145609 FXZNVUYJUWJHBO-LBPRGKRZSA-N 308.382 -0.045 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@H](OC)C(C)C)C1 1209446761 UWVHPBCRXQLHPT-UKRRQHHQSA-N 309.410 -0.013 30 20 DBED C=CCCN1C[C@@H](NC(=O)[C@@H](CCC(N)=O)NC(C)=O)[C@H](C)C1 1209530173 GPCVITACSBGSNB-MRVWCRGKSA-N 324.425 -0.231 30 20 DBED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)[C@H](C)C1CC1 1212080955 FAVCOHSMEPKHES-RAIGVLPGSA-N 308.382 -0.512 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)C[C@H](C)C2CC2)[C@H](OC)C1 1213938331 PGUZODQXQJHCPH-NWANDNLSSA-N 321.421 -0.013 30 20 DBED CCS(=O)(=O)CC(=O)N1C[C@@H](NCC#CCOC)[C@H](C)C1 1216843128 XBHCKLKSWFFRKU-CHWSQXEVSA-N 316.423 -0.493 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@H](C)NC(=O)C2CCCC2)C1 1219684891 UXPWUAGJFKDUOB-CFVMTHIKSA-N 321.421 -0.134 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)c2cc(F)c[nH]2)C1 1220024719 YSRMLIYDJULYHB-WQAKAFBOSA-N 322.340 -0.933 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)CC2(C)CC2)C1 1220035714 SIUPJUJEEPNKRF-XQQFMLRXSA-N 307.394 -0.524 30 20 DBED CC#CCCCC(=O)N[C@@H]1CN([C@H](C)c2nnnn2C)C[C@@H]1O 1220184237 AIGFBECAWJICEV-UPJWGTAASA-N 320.397 -0.374 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)C(C)(C)NC(=O)NCCC)C1 1221077523 MVKVUWBLDVBRGX-NEPJUHHUSA-N 312.414 -0.179 30 20 DBED C=CCNC(=O)CN1CCC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1223104825 GMPIXZHUEMARGR-CHWSQXEVSA-N 324.381 -0.218 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)Cc2cnc[nH]2)CC1 1224665119 CQCNPZDQEZMEAP-UHFFFAOYSA-N 317.393 -0.470 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1COCCO1 1224969895 ZSYJBOMUWSIJIQ-UPJWGTAASA-N 324.381 -0.941 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)c2cncnc2)CC1 1226986178 PGBVOQVCDBBAQW-UHFFFAOYSA-N 303.366 -0.027 30 20 DBED C#CCCCC(=O)NC1CCN(CC(=O)NC(=O)NC)CC1 1227084870 MZZVZJSCXMWTKY-UHFFFAOYSA-N 308.382 -0.174 30 20 DBED C=CCN1CCC(NC(=O)[C@H](CCC(N)=O)NC(C)=O)CC1 1229625246 BESCKVAPSHDSMV-ZDUSSCGKSA-N 310.398 -0.477 30 20 DBED CCCN(C)CC(=O)NC1CCN(CC(=O)NCC#N)CC1 1230101383 KQEMDLIJSHGOQT-UHFFFAOYSA-N 309.414 -0.451 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)c1cc(C)ncn1 1233663961 QJYSIRAURUNVPX-ZDUSSCGKSA-N 315.377 -0.319 30 20 DBED COCC#CCN1CC[C@@H]1CN(C)C(=O)c1cc(=O)n(C)o1 1233866693 TZJCJDFCKOGYGE-GFCCVEGCSA-N 307.350 -0.226 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)c2cnn(C)n2)C1 1267020360 CTYRIZYRDNFZBK-MNOVXSKESA-N 306.370 -0.690 30 20 DBED O=C1C=CC=N/C1=C(\O)NCCNc1nccn2nnnc12 1319001293 OHKFRQBVXJDZDD-XFXZXTDPSA-N 300.282 -0.542 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N(C)C[C@@H]2CCCN2C)nn1 1326718016 DRISYQICKFBXPD-ZDUSSCGKSA-N 320.397 -0.367 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N[C@@H]1CCN(CC(F)F)C1 1327725171 GWKHPFTXAFMCAJ-VHSXEESVSA-N 305.325 -0.241 30 20 DBED C#CCOCCNC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 1329099107 ODZLMDXMCQNXOX-AWEZNQCLSA-N 307.394 -0.161 30 20 DBED C[C@@H](C1CC1)n1cc(NC(=O)C(=O)NCC(=O)NCC#N)cn1 1329191805 TUCFUGCCHZUPNE-VIFPVBQESA-N 318.337 -0.451 30 20 DBED C=CCn1c(CCO)nnc1N1CCC[C@@H](N2CCNC2=O)C1 1340595562 ZOHKHUIECIATOB-GFCCVEGCSA-N 320.397 -0.007 30 20 DBED CCN(C(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O)C1CC1 1342101591 WGUDXKIHHHYPPR-OUKQBFOZSA-N 320.349 -0.360 30 20 DBED C=C(C)COCCNC(=O)C(=O)N(C)CCS(C)(=O)=O 1343170476 YNKANOOMZXCUGK-UHFFFAOYSA-N 306.384 -0.802 30 20 DBED C#C[C@H](C)OC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 1343308434 FTBKTHRRJOUWPB-UWVGGRQHSA-N 312.347 -0.283 30 20 DBED C#CCn1ccc(CN(CC)C(=O)C(=O)N[C@@H]2CCNC2)n1 1348344331 LEEPSELBCKCDKR-GFCCVEGCSA-N 303.366 -0.657 30 20 DBED CN(CC(=O)N1CCOCC1)C(=O)CNc1ccc(C#N)cn1 1361863993 XHHBVTATXFWCAV-UHFFFAOYSA-N 317.349 -0.318 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CC[C@H]2COC(=O)N[C@@H]2C1 1364007221 KNKLZFBHHOBIKJ-WDEREUQCSA-N 316.383 -0.103 30 20 DBED C[C@H]1CN(c2[nH]c(=O)n(C)c(=O)c2C#N)CC2(CCOCC2)O1 1364170407 IEFOSUGABHLBLV-JTQLQIEISA-N 320.349 -0.280 30 20 DBED N#C[C@H]1CCCN(C(=O)NCc2nnc3c(=O)[nH]ccn23)C1 1365670004 ZQNVVOLZAISNCY-SECBINFHSA-N 301.310 -0.137 30 20 DBED C[C@H](CNC(=O)Cn1cncn1)NC(=O)c1c[nH]c(C#N)c1 1373103681 YJPNRGYVCBDXHB-SECBINFHSA-N 301.310 -0.587 30 20 DBED CC(C)[C@H](CNC(=O)c1cc(C#N)c[nH]1)NCc1nnn(C)n1 1374416604 SCJXANGUGFTRFU-LBPRGKRZSA-N 316.369 -0.046 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCN(C)C(=O)[C@@H]1CCCN1C(N)=O 1376331086 PVXLYSUYHSKARK-QWRGUYRKSA-N 309.370 -0.394 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C(=O)CCCn2cncn2)CC1 1385097968 QLBDIBMZHKHDOQ-LBPRGKRZSA-N 304.354 -0.111 30 20 DBED COCc1nn(C)cc1C(=O)N[C@H](C)CNC(=O)[C@H](C)C#N 1387088320 SRNKMTWJOBSOHX-NXEZZACHSA-N 307.354 -0.039 30 20 DBED C[C@H](CNC(=O)c1ccc(C#N)[nH]1)CNC(=O)[C@H]1CCC(=O)N1 1388407855 JTJPQXLVMCQLCD-BXKDBHETSA-N 317.349 -0.353 30 20 DBED CCN1CCOC[C@H]1C(=O)N1CC(CNC(=O)[C@@H](C)C#N)C1 1398814732 NNJZXIFUIZBWAG-AAEUAGOBSA-N 308.382 -0.559 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1nccn2ccnc12 1410149342 MCGGWKTWZYJCGG-ZJUUUORDSA-N 316.321 -0.904 30 20 DBED Cc1nn[nH]c1C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N 1412443931 JZIFFEAAIRISEP-UHFFFAOYSA-N 302.298 -0.203 30 20 DBED CC(=O)N[C@@H](C(=O)N[C@H]1[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]21)C(C)C 1415071280 IUXIROBHIDZELV-LPUQOGTASA-N 320.393 -0.120 30 20 DBED CCN(CCC#N)C(=O)CN[C@@H](C)CNC(=O)c1cnccn1 1418198070 UOKTXPJYFXLJTO-LBPRGKRZSA-N 318.381 -0.053 30 20 DBED C[C@H](C#N)C(=O)NCCN1CCN(C(=O)CC2(O)CCC2)CC1 1427704036 QIPSXENSOVSZQL-CYBMUJFWSA-N 322.409 -0.288 30 20 DBED COCCN(CCNC(=O)[C@H](C)C#N)C(=O)[C@@H]1CCCN1C 1428426097 SAADSIOHHPATEC-OLZOCXBDSA-N 310.398 -0.169 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C(=O)COCc2ccnn2C)CC1 1429470867 CHQUZNFGWBHJAA-GFCCVEGCSA-N 319.365 -0.233 30 20 DBED CN(CCNC(=O)c1cnnn1C)C(=O)c1cc(C#N)c[nH]1 1431230160 HFGXHMOZLWMGBF-UHFFFAOYSA-N 301.310 -0.483 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(CC(=O)NCCC(C)(C)C)C1 1440038202 JLSYRRXJACJVCA-GFCCVEGCSA-N 324.425 -0.139 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)Cn2cnnn2)CCCC1 1451153635 KEHDPAPCNJOKRI-JTQLQIEISA-N 305.342 -0.622 30 20 DBED Cc1cc(=O)c(C(=O)N(C)C[C@@H](O)CNC(=O)[C@H](C)C#N)c[nH]1 1451928295 NVVOEIWRZQYQCE-KOLCDFICSA-N 320.349 -0.608 30 20 DBED C[C@@H](CNC(=O)c1ccc2nnnn2c1)NC(=O)[C@@H](C)C#N 1454675504 KBDLEXYAWBFGCP-IUCAKERBSA-N 301.310 -0.482 30 20 DBED C=C(Cl)CNC[C@@H](O)CNC(=O)C1(S(C)(=O)=O)CCC1 1497079983 FYANLFUDLRAFNA-SNVBAGLBSA-N 324.830 -0.227 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@H]1CCCN(C(=O)CNC(=O)O)C1 1573311720 XICUOMHYWXQRPM-VXGBXAGGSA-N 324.381 -0.780 30 20 DBED N#Cc1nc(NC(=O)[C@@]2(C#N)CCCOC2)[nH]c1-c1nn[nH]n1 1581860364 XAHIITUWHUGUEO-GFCCVEGCSA-N 313.281 -0.280 30 20 DBED N#Cc1ncc(N2CC(N[C@H]3CCOC3)C2)nc1-c1nn[nH]n1 1581882405 XDAUXTYEGXTEBT-QMMMGPOBSA-N 313.325 -0.905 30 20 DBED C=C(C)C[C@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)C(=O)OC 1588405931 QODFTISWMAEBHQ-QMMMGPOBSA-N 320.313 -0.918 30 20 DBED C#CCN1CCC[C@H](NC(=O)N2CC[C@](OC)(C(=O)O)C2)C1 1588477270 XKMPHSLGUSSVNX-SWLSCSKDSA-N 309.366 -0.031 30 20 DBED C=C[C@H](O)C(=O)N(C)C[C@H](O)c1cccc(-c2nn[nH]n2)c1 1588525328 GCEAUHONPLALOE-RYUDHWBXSA-N 303.322 -0.095 30 20 DBED CS(=O)(=O)N1CCC(n2cnc(-c3nn[nH]n3)c2C#N)CC1 1591677020 OHPOKLZFGNNBAX-UHFFFAOYSA-N 322.354 -0.469 30 20 DBED CO[C@@H]1CCN(C(=O)[C@H](C)n2cnc(C#N)n2)[C@H](C(=O)O)C1 1599121722 ZLFDIHAWJOXHML-AEJSXWLSSA-N 307.310 -0.199 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN([C@@]2(C(=O)O)CCOC2)CC1 1602901345 GFGIYFPLYXASNK-DOMZBBRYSA-N 311.382 -0.462 30 20 DBED CN([C@]1(C#N)CCOC1)S(=O)(=O)c1cnn(CC(=O)O)c1 1606071713 ARBGJJGQFNCINR-NSHDSACASA-N 314.323 -0.729 30 20 DBED N#Cc1cc(C(=O)N2CC(CNC(=O)[C@H]3C[C@@H]3C(=O)O)C2)c[nH]1 1608194113 QCYWZTDQGJPKJL-RYUDHWBXSA-N 316.317 -0.205 30 20 DBED CNC(=O)CNC(=O)[C@@H](C#N)Cc1ccc(-c2nn[nH]n2)cc1 1609288502 USBBFJQWTACBLM-LLVKDONJSA-N 313.321 -0.589 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)COc2cc(C)on2)C1 1660996277 RXTRBJPTFFFPII-GFCCVEGCSA-N 320.349 -0.698 30 20 DBED C=CCCCC(=O)N[C@H]1CCN(CC(=O)N2CCNC(=O)C2)C1 1713085971 QWNZPHCIYAOTSM-ZDUSSCGKSA-N 322.409 -0.508 30 20 DBED C#CCCN(C)[C@H]1CCCN(C(=O)Cn2ccc(O)nc2=O)C1 1752993983 RLBJKDXBRNDGFA-ZDUSSCGKSA-N 318.377 -0.105 30 20 DBED C#CCNC(=O)CN[C@@H](C)[C@H]1CCCN(C(=O)c2ncc[nH]2)C1 1753794133 KMDOFPVPVRUELU-STQMWFEESA-N 317.393 -0.011 30 20 DBED C#CCNC[C@H](O)CNC(=O)C1(n2cnnn2)CCCCC1 1753923028 AVEQYYUGUZDPSG-LBPRGKRZSA-N 306.370 -0.968 30 20 DBED C#CCNC(=O)CNCCCN(C)C(=O)c1csc(O)n1 1754391339 WWMNHVTVZLZWNN-UHFFFAOYSA-N 310.379 -0.350 30 20 DBED CC[C@@H](F)C(=O)N[C@@H]1COC2(C1)CN(CC(=O)NCC#N)C2 1755063347 LROKLDZMIMIAGH-WDEREUQCSA-N 312.345 -0.666 30 20 DBED COCC#CCN[C@H]1CN(C(=O)CN(C)C(=O)C2CC2)C[C@@H]1C 1755120120 AOVYBXHEWLHNPL-ZFWWWQNUSA-N 321.421 -0.059 30 20 DBED Cc1cnc(COCC(=O)N2CCC(O)(CNCC#N)CC2)o1 1755150154 IJDDCOCVAUUTJY-UHFFFAOYSA-N 322.365 -0.034 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@H](C)CNC(=O)c1cnnc(C)c1 1755297487 XTDYSBKLSBGJFP-CHWSQXEVSA-N 317.393 -0.027 30 20 DBED C#CCCN(C)[C@H](C)CNC(=O)[C@@H](CCC)S(N)(=O)=O 1755309626 FIKCNMSTMZMGMY-VXGBXAGGSA-N 303.428 -0.097 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](CNC(=O)[C@]3(F)CCOC3)[C@H]2C1 1755427194 AUKGGSNOQMAUEW-JFILPPLUSA-N 323.368 -0.842 30 20 DBED C#CCNC(=O)CNCCC[C@@H](C)NC(=O)c1csnn1 1755509734 SJLVUCMRXJHWLH-SNVBAGLBSA-N 309.395 -0.224 30 20 DBED C=CCNC(=O)NC(=O)CN[C@@H](CO)CNC(=O)C1=CCCC1 1755625369 KBGPRFXWBVEKIB-GFCCVEGCSA-N 324.381 -0.825 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@H](CO)CNC(=O)c1c(C)ncn1C 1755632569 VGDFEZFPDOTYBB-NEPJUHHUSA-N 323.397 -0.900 30 20 DBED CC(C)C(=O)N1CCCC[C@H]1C(=O)NC[C@@H](CO)NCC#N 1755647578 MSSIKJVWTWRTRP-STQMWFEESA-N 310.398 -0.386 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@@H](C)N(C(=O)c2cn(C)nc2C)C1 1755675676 YPPPSSQXHHFRJT-YPMHNXCESA-N 317.393 -0.329 30 20 DBED COCC#CCNC[C@@H]1CC[C@H](NC(=O)CNC(=O)OC)C1 1755731076 QXADOCXBAKYVIE-OLZOCXBDSA-N 311.382 -0.133 30 20 DBED C=CC(C)(C)C(=O)N[C@H](CO)CNC(=O)Cc1n[nH]c(C)n1 1756521249 MMXDCSVIPZWHAH-JTQLQIEISA-N 309.370 -0.539 30 20 DBED C=CCC(C)(C)C(=O)N[C@H](CO)CNC(=O)[C@H]1CCNC1=O 1756539970 IISAXLIQLDHSBM-QWRGUYRKSA-N 311.382 -0.682 30 20 DBED NC(=O)NCC(=O)N1CC[C@]2(NC(=O)C#CC3CC3)CCC[C@@H]12 1756611379 SAYWZXDRYJPCSJ-MLGOLLRUSA-N 318.377 -0.292 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@@H](NC(=O)CNC(=O)CC)[C@H](C)C1 1757061506 XTUITXGQLHWGQO-FRRDWIJNSA-N 323.393 -0.486 30 20 DBED C[C@@H](NS(=O)(=O)CCOC1(C#N)CCOCC1)C(=O)O 1776453791 FIKQCPADCKIAKZ-SECBINFHSA-N 306.340 -0.532 30 20 DBED N#CCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCOC3)C2)C1 1784712597 DDALTOLJIVCJLJ-DOMZBBRYSA-N 307.350 -0.234 30 20 DBED N#CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ncc[nH]3)[C@H]2C1 1785781317 CTBCGQVKTJGKDP-SRVKXCTJSA-N 317.349 -0.083 30 20 DBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCCOC)C2)C1 1839805602 OLDIVQARKFDTDB-INIZCTEOSA-N 324.377 -0.497 30 20 DBED N#CC1(C(=O)N2CC3(CCCN3C(=O)COCCO)C2)CCC1 1845213792 ZMUXCIRDSZCBTJ-UHFFFAOYSA-N 321.377 -0.107 30 20 DBED COCC(=O)N1CCN(CC(=O)N[C@@](C)(C#N)C2CC2)CC1 47995454 FEYOWXDKQVZSIR-HNNXBMFYSA-N 308.382 -0.415 30 20 DBED C/N=C(/NC[C@@H]1CCOC1)N1CCN(c2cnn(C)c2)C(=O)C1 155853622 QLFJJOKTAMDMAJ-LBPRGKRZSA-N 320.397 -0.319 30 20 DBED CS(=O)(=O)N1CCC[C@@H]1CN/C(N)=N/C[C@H]1CCCO1 178835998 RATLQPJUGDKSBM-GHMZBOCLSA-N 304.416 -0.506 30 20 DBED CNC(=O)CN1CCN(S(=O)(=O)c2ccccc2C#N)CC1 192840195 CSRJFQVLWXIYBL-UHFFFAOYSA-N 322.390 -0.389 30 20 DBED C=CCN(CC(=O)N1CCO[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 246264491 OYJNLINMBUMFOE-OLZOCXBDSA-N 316.423 -0.091 30 20 DBED COC(=O)c1ccc(S(=O)(=O)N2CCO[C@H](C#N)C2)o1 264633747 UPFXYKBXLPYNKO-MRVPVSSYSA-N 300.292 -0.021 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)Nc1ccn(CC(=O)N(C)C)n1 265219142 SVAVJABVHUSOLZ-SNVBAGLBSA-N 322.369 -0.217 30 20 DBED N#Cc1ccc(N2CCN(C(=O)CN3CCOCC3)CC2)cn1 267433802 XLJIIRSNUKZHIX-UHFFFAOYSA-N 315.377 -0.066 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCC[C@H](N)C2)C1=O 275757988 MDPQTVGFESUYFS-VHSXEESVSA-N 308.338 -0.651 30 20 DBED C=CCN1CC[C@H](N2C(=O)N[C@](C)(c3cnn(C)c3)C2=O)C1=O 281004523 NXRDYEDIMVOENC-XHDPSFHLSA-N 317.349 -0.026 30 20 DBED C[C@H]1CS(=O)(=O)C[C@H]1/N=C(/O)[C@@H]1CN2CCCN1CC2 329584790 QYMDNUYVKQDUCU-TUAOUCFPSA-N 301.412 -0.234 30 20 DBED Cc1nnsc1C/N=C(/O)N1CC[C@@H](NS(C)(=O)=O)C1 330356377 RMVKMXFQANCOFP-MRVPVSSYSA-N 319.412 -0.116 30 20 DBED CC(=O)N1CCN(CCNC(=O)Cc2noc(C)c2C#N)CC1 330763802 PBCZMUPNYNBITE-UHFFFAOYSA-N 319.365 -0.323 30 20 DBED CCCC/N=C(/O)NC(=O)CN1CCO[C@H](C(=O)NC)C1 330793854 DFKUKPZIBNQGJN-JTQLQIEISA-N 300.359 -0.737 30 20 DBED C=CCN(C(=O)C(=O)NCC1CC1)[C@@H]1CCS(=O)(=O)C1 331460562 KMPLWCUOIVDGBZ-LLVKDONJSA-N 300.380 -0.286 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 332685593 OMBOROFRTURIFA-MRVPVSSYSA-N 322.346 -0.003 30 20 DBED COCCOCCCNS(=O)(=O)N1CCO[C@H](C#N)C1 336902531 RMNTZRVERMUPEN-LLVKDONJSA-N 307.372 -0.902 30 20 DBED C[C@H](C#N)CN(C)CC(=O)N1CCN(CC(=O)N(C)C)CC1 338264622 VYEMDSIRJOZQED-CYBMUJFWSA-N 309.414 -0.690 30 20 DBED COCCOCCOCCS(=O)(=O)N1CCO[C@@H](C#N)C1 338418022 AITUMPSTEFUPJL-LBPRGKRZSA-N 322.383 -0.780 30 20 DBED C[C@@H](C(=O)NCC(=O)NCC#N)n1nnc(-c2ccccc2)n1 344181060 OGPYHBOGFYWQFP-JTQLQIEISA-N 313.321 -0.343 30 20 DBED N#Cc1ccc(S(=O)(=O)NCCNC(=O)c2cnccn2)o1 344414083 ZFTJPLCEHDFTKK-UHFFFAOYSA-N 321.318 -0.350 30 20 DBED CCO[C@@H]1C[C@H](O)C12CCN(C(=O)NCC(=O)NCC#N)CC2 358282937 XJNLYBOZXMGDAH-NWDGAFQWSA-N 324.381 -0.412 30 20 DBED CCC1(CC)NC(=O)N(CC(=O)N[C@@]2(C#N)CCOC2)C1=O 358451330 ZQKHHADATDGBLW-CYBMUJFWSA-N 308.338 -0.104 30 20 DBED N#Cc1ccc(NCC(=O)N[C@H](CO)C2CCOCC2)nc1 360740665 UKNXKBBTTHAPFW-CYBMUJFWSA-N 304.350 0.269 30 20 DBED CS(=O)(=O)N1CCC[C@H](NC(=O)N2CCO[C@@H](C#N)C2)C1 408096440 BVDGBBPVROMDRU-QWRGUYRKSA-N 316.383 -0.656 30 20 DBED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)NCC(F)(F)CN 418817561 BKAMTACPECRQSJ-NXEZZACHSA-N 305.325 -0.206 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@H](O)[C@@H](C)C2)C1=O 428684813 WLMMBURBTVCYHK-UWVGGRQHSA-N 309.322 -0.808 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2cnn(CCC)c2)CC1 491628756 NTRYLPAYVXDTPB-UHFFFAOYSA-N 317.393 -0.200 30 20 DBED C[C@H](C#N)CNC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 517641297 LUOSQHJKOJLGHH-MRVPVSSYSA-N 301.306 -0.478 30 20 DBED CC[C@](C)(C#N)NC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 525197758 QYXVQUUJPKOUJT-NENBDWHOSA-N 305.334 -0.043 30 20 DBED N#CC1(CNC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 555861853 BXRMDIOASUEWBI-ZDUSSCGKSA-N 320.393 -0.413 30 20 DBED CN(C)C(=O)[C@H]1CCCN1C(=O)C(=O)Nc1cccc(C#N)n1 570279047 XWRZCNXZUOFDBT-LLVKDONJSA-N 315.333 -0.029 30 20 DBED COC(=O)[C@@H]1C[C@@H](O)CN(CC(=O)N[C@](C)(C#N)C(C)C)C1 592209072 QWEPGZYFJUSMDD-LALPHHSUSA-N 311.382 -0.103 30 20 DBED CCc1nc(C#N)cc(NCCNS(=O)(=O)NC(C)C)n1 596209527 HAOWLMYCPYVAGD-UHFFFAOYSA-N 312.399 0.155 30 20 DBED CCCN1CC[C@@H](NC(=O)C(=O)NC2CCN(CC#N)CC2)C1 597257176 CMZGMDRGNXRXQG-CQSZACIVSA-N 321.425 -0.309 30 20 DBED CC1(C#N)CN(C(=O)CNS(=O)(=O)c2ccccc2N)C1 597605609 XCXLRHRGPPSNLW-UHFFFAOYSA-N 308.363 -0.081 30 20 DBED N#C[C@H]1CC[C@@H](NC(=O)[C@H]2CCCN(S(N)(=O)=O)C2)C1 597791906 ALESFFUQKSNGRB-GARJFASQSA-N 300.384 -0.290 30 20 DBED C[C@H](C(=O)N(C)CCC#N)n1cc(CCN2CCNCC2)nn1 603189363 QMZCZLOIOJUAKH-CYBMUJFWSA-N 319.413 -0.341 30 20 DBED N#CC1(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)CC1 609990563 VBIWJOJDWAEXNV-UHFFFAOYSA-N 324.362 -0.178 30 20 DBED N#Cc1cccc(S(=O)(=O)NC2(C(N)=O)CCOCC2)c1 610898704 VYUGIKILGUUFKR-UHFFFAOYSA-N 309.347 -0.129 30 20 DBED C=C[C@](C)(O)C(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1 614190726 SBIBZJUABZNREE-YPMHNXCESA-N 302.396 -0.050 30 20 DBED CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)N1CCOC[C@H]1C#N 619582645 SAXWEIJPQXRISD-MNOVXSKESA-N 310.354 -0.856 30 20 DBED CC#CC[C@H](CO)NC(=O)NC1CCN(CC(=O)NC)CC1 645167759 GGBXCEKPQPQDPT-CYBMUJFWSA-N 310.398 -0.730 30 20 DBED CN(CCNC(=O)NCCN/C(O)=C1\N=CC=CC1=O)C1CC1 732891563 NLOXAUDSHDMKCD-BUHFOSPRSA-N 321.381 -0.094 30 20 DBED N#CCOc1ccccc1C(=O)N1CCN(C(=O)C(=O)O)CC1 738425538 GVORBMXEABJHDK-UHFFFAOYSA-N 317.301 -0.042 30 20 DBED CNC(=O)CNC(=S)NN=C1C(=O)Nc2c(F)cccc21 753961166 XNNVOWIIWSKEPO-UHFFFAOYSA-N 309.326 -0.308 30 20 DBED C#CCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccccc2)c1=O 758077013 LMKPXYYKLGOKIT-UHFFFAOYSA-N 323.377 -0.208 30 20 DBED C=CCS(=O)(=O)CCNC(=O)CCN1CCN(CC)CC1 783616240 FJGVUUPSWHKJNG-UHFFFAOYSA-N 317.455 -0.269 30 20 DBED C#Cc1cccc(NC(=O)C(=O)N2CC[C@H](S(N)(=O)=O)C2)c1 784792746 LSXSUCWVQXFEJD-LBPRGKRZSA-N 321.358 -0.504 30 20 DBED C=CCOCC(=O)NS(=O)(=O)c1cnn2c1OCCC2 816206498 PEFVPUICHYBCHL-UHFFFAOYSA-N 301.324 -0.327 30 20 DBED C[C@](C#N)(CC(=O)O)C(=O)N1CCC[C@@H](CS(N)(=O)=O)C1 819811436 ORPFDQHGJQQWPR-BXKDBHETSA-N 317.367 -0.482 30 20 DBED N#Cc1ccc(N2CCN(C(=O)C3(n4cnnn4)CC3)CC2)cn1 834733032 XAIRNPKDPRLXQT-UHFFFAOYSA-N 324.348 -0.222 30 20 DBED C=C[C@@H](C)ONC(=O)N1CCC(NS(=O)(=O)NC)CC1 845621462 XMFSAKUKHJKHLN-SECBINFHSA-N 306.388 -0.280 30 20 DBED Nc1c(C(=O)N[C@@H]2CCCN(O)C2=O)cnn1-c1ccccn1 848132084 NJHIBFRBPKOKFX-SNVBAGLBSA-N 316.321 -0.041 30 20 DBED C#CCN(CC(=O)O)S(=O)(=O)c1ccc(C(=O)OC)o1 849218940 CITZTGLUPCWYRU-UHFFFAOYSA-N 301.276 -0.225 30 20 DBED C#CCOCCN1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 851914302 VXULPOFNATZJHR-CQSZACIVSA-N 316.423 -0.237 30 20 DBED CN1C(=O)COc2ccc(C(=O)N[C@H]3CNC[C@@H]3C#N)cc21 876803861 YERXIJKTDARFMF-QWRGUYRKSA-N 300.318 -0.117 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CCN2C(C)(C)C)CC1 896152961 OUHYVSFIWUXNPJ-CQSZACIVSA-N 320.437 -0.247 30 20 DBED C[S@](=O)CCN1CCN(S(=O)(=O)CC(C)(C)C#N)CC1 914236302 ROEHJKBSIJAMCC-IBGZPJMESA-N 321.468 -0.138 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)CCN1CCCS1(=O)=O 919437279 VGHXPOCOJIBGHG-JTQLQIEISA-N 302.352 -0.907 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)c2cc(=O)cc[nH]2)CC1 932038528 KYOOUVIVYDRPAJ-UHFFFAOYSA-N 316.361 -0.728 30 20 DBED C=C[C@@](C)(CC)C(=O)N1CC[C@@H](NC(=O)Cn2cnnn2)C1 939328666 CFQMWQOCAXLLDD-RISCZKNCSA-N 306.370 -0.008 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CN2C(=O)CNC2=O)[C@@H](C)C1 944787926 CPUXADBNHNHGMC-NWDGAFQWSA-N 306.366 -0.612 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@H]3[C@@H](CCN3C(=O)C(N)=O)C2)c1 945914946 QGOBAKBSWYBVGS-JQWIXIFHSA-N 315.333 -0.565 30 20 DBED C#Cc1cncc(C(=O)NC[C@@H]2CCC[C@H]2NC(=O)C(N)=O)c1 946299140 PUGRTKCOLJDEIS-WCQYABFASA-N 314.345 -0.437 30 20 DBED COc1cc(OC)nc(C(=O)NC[C@@H]2CN(CC#N)C[C@H]2O)n1 958183334 MTLZLJKSRODBDE-NXEZZACHSA-N 321.337 -0.960 30 20 DBED CC#CCN1C[C@H](O)[C@H](CNC(=O)c2cn3cccnc3n2)C1 958214640 KIUWOIDRQGKHHR-OCCSQVGLSA-N 313.361 -0.225 30 20 DBED N#CCN1C[C@@H](O)[C@@H](CNC(=O)c2ccc3nn[nH]c3c2)C1 958662685 XQDRPMPABRZSCS-GXFFZTMASA-N 300.322 -0.496 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC(=O)N2)C1 958907797 KFLDECZUJOZEMY-SRVKXCTJSA-N 323.393 -0.493 30 20 DBED C#Cc1ccc(C(=O)NC2[C@@H]3CN([C@@H](C)C(=O)NC)C[C@@H]23)cn1 962327485 SXHVMOZBOBKXBQ-ZLKJLUDKSA-N 312.373 -0.143 30 20 DBED C[C@H](C#N)C(=O)N1CC(N2CCN(C(=O)c3ncc[nH]3)CC2)C1 967205878 GBCGXIDHDSZNPG-LLVKDONJSA-N 316.365 -0.462 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CC(C)C)C[C@@H]1O 968346149 UNNLURKEOMKMOK-ILXRZTDVSA-N 321.421 -0.182 30 20 DBED C=C(Cl)CN[C@@H]1CCN(C(=O)CN2CCOCC2=O)C1 968929508 IUCTVJBOSSQXAG-LLVKDONJSA-N 301.774 -0.212 30 20 DBED C[C@H](NC(=O)c1c[nH]c(C#N)c1)C1CN(Cc2nnn(C)n2)C1 969526122 JPDXAFVSBYIPCT-VIFPVBQESA-N 314.353 -0.340 30 20 DBED CN(C[C@@H]1CCN1C(=O)C#CC1CC1)C(=O)[C@@H]1CCC(=O)NC1 977975621 QPECNRNFKZMRAG-KGLIPLIRSA-N 317.389 -0.015 30 20 DBED C[C@H]1C[C@H](NCC#N)CN1C(=O)c1cn(CC(=O)N(C)C)nn1 989831990 OFUPKYJLMPCLBI-QWRGUYRKSA-N 319.369 -0.918 30 20 DBED C=CCn1cc(C(=O)NC2CN(C(=O)C3=CCOCC3)C2)nn1 991674015 RUMCGTKIHIKFDJ-UHFFFAOYSA-N 317.349 -0.249 30 20 DBED Cc1nonc1C(=O)NC[C@H]1[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]12 1009203326 FEHHDWLWQFGDHS-WKJUBOCMSA-N 303.322 -0.028 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2[C@@H]3CN(C(=O)C(N)=O)C[C@H]23)cc1 1009325047 RPACMRVRKAGLGX-ZSOGYDGISA-N 311.341 -0.413 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(C1)CN(C(=O)[C@@H]1CC(=O)N(C)C1)C2 1019099086 PGSDTLKJFVOYCT-NWDGAFQWSA-N 318.377 -0.315 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCN(C(=O)[C@@H]3CCCNC3=O)C2)C1 1019367198 SBUYGDIHGHBYDJ-VXGBXAGGSA-N 318.377 -0.267 30 20 DBED C=CCN[C@H]1C[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 1020767773 VWWUIXZWLOLXFC-MGCOHNPYSA-N 302.338 -0.506 30 20 DBED C=CCN1CC[C@H](N[C@H]2C[C@@H](NC(=O)Cn3cccn3)C2)C1=O 1021836666 WHUFVEVVSCEOON-MJBXVCDLSA-N 317.393 -0.093 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C(F)F)C1 1022861005 QMVVLTGQHLTICT-OUAUKWLOSA-N 315.320 -0.963 30 20 DBED C=C[C@@](C)(CC)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ncn(C)n2)C1 1023599032 XCALVNBKHFJRJF-HFAKWTLXSA-N 321.381 -0.281 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCCCN1CC(N)=O 1024488324 XBGWGWCYBRZPSX-KBPBESRZSA-N 306.410 -0.460 30 20 DBED CC#CCN1[C@H]2CC[C@H]1CN(C(=O)Cn1ccc(O)nc1=O)C2 1029382783 RRMBEDWLEUDZSI-STQMWFEESA-N 316.361 -0.353 30 20 DBED C=CCN1C[C@@H]2C[C@H]1CN2C(=O)CCc1nnc(O)nc1O 1032495305 UXXHHLQSQYVKJJ-UWVGGRQHSA-N 305.338 -0.314 30 20 DBED C#CCCN1CC[C@H]2CN(C(=O)Cn3cnnc3O)CC[C@H]21 1036693517 XVRBCNDRYXLKBM-QWHCGFSZSA-N 303.366 -0.070 30 20 DBED C=CCCN1CC[C@H]2CN(C(=O)CN3CCNC(=O)C3)CC[C@H]21 1036792306 NJXJGYVUCRKZBU-LSDHHAIUSA-N 320.437 -0.083 30 20 DBED N#CCN1CC[C@H]([C@H]2CCCCN2C(=O)Cn2cnnn2)C1 1039187000 PWOZEJWVFCDSNV-QWHCGFSZSA-N 303.370 -0.100 30 20 DBED C#CCCCC(=O)NC[C@@]1(O)CCN(C(=O)c2cnnn2C)C1 1039574656 WBCBZNHBXWIGHU-HNNXBMFYSA-N 319.365 -0.688 30 20 DBED C=C(C)CCC(=O)N1CC[C@@](O)(CNC(=O)c2cnn[nH]2)C1 1040269705 UVBMVVDJDKVSFH-CQSZACIVSA-N 307.354 -0.146 30 20 DBED C[C@H]1C[C@H]1C(=O)NCC1(O)CN(C(=O)c2cc(C#N)c[nH]2)C1 1041284889 IESPYHSHGKMEMD-GXSJLCMTSA-N 302.334 -0.155 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)Cc2cc(C)[nH]n2)C1 1042039953 MNXDRPPJPUWSGM-UHFFFAOYSA-N 322.365 -0.847 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)Cc2ccon2)C1 1042040785 YQYDQSGUDFZUOG-UHFFFAOYSA-N 309.322 -0.891 30 20 DBED C=CCN1CC[C@H](N2CC(N(C)C(=O)[C@@H]3CCOC3)C2)C1=O 1042523093 IYBBPTRBQFDWOI-OCCSQVGLSA-N 307.394 -0.048 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)C[C@@H]2COC(=O)C2)C1 1042554019 GHSZEJDGFFMKNB-NSHDSACASA-N 310.350 -0.405 30 20 DBED C#CCCCCC(=O)NCC1(O)CN(C(=O)c2nc[nH]n2)C1 1042659047 XZUSKHPRPOJKPB-UHFFFAOYSA-N 305.338 -0.699 30 20 DBED O=C(C#CC1CC1)NCC1(O)CN(C(=O)c2n[nH]cc2F)C1 1042961014 RPAXPBKARVWIQP-UHFFFAOYSA-N 306.297 -0.735 30 20 DBED C=CCn1cc(C(=O)NCC2(O)CN(C(=O)CC3CC3)C2)nn1 1043106530 RZMRYRFISDDFQB-UHFFFAOYSA-N 319.365 -0.433 30 20 DBED C=CCn1cc(C(=O)N(C)C2CN([C@H]3CCNC3=O)C2)nn1 1044023117 ZNABBTNSVCSSEY-LBPRGKRZSA-N 304.354 -0.891 30 20 DBED C=C(C)C[C@H](C)C(=O)NCC1(O)CN(C(=O)[C@H]2CCNC2=O)C1 1045063546 BKZPFEBUOFCUSW-RYUDHWBXSA-N 323.393 -0.586 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3nnc(C)n3C2)C1 1047638552 YATSOYWRSSSGIG-IHRRRGAJSA-N 317.393 -0.714 30 20 DBED CC(C)OCCC(=O)N(C)[C@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1O 1048327954 SRNRWRXPWQINDR-AGIUHOORSA-N 311.382 -0.009 30 20 DBED C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C1CC(=O)NC(=O)C1 1049783711 QXBGIFGBCUAIHV-QWHCGFSZSA-N 303.362 -0.262 30 20 DBED C=CCCC(=O)N[C@@H](C)[C@H]1CCN(C(=O)Cn2cnnn2)C1 1049968563 NCRBMHDNPXHBCO-RYUDHWBXSA-N 306.370 -0.008 30 20 DBED N#Cc1ccc(CNC[C@@H]2CN(C(=O)C(N)=O)CCO2)cc1 1051794207 IDDJVNGYHAYUMA-CYBMUJFWSA-N 302.334 -0.639 30 20 DBED CC#CCN1CC2(CC[C@H](CNC(=O)[C@@H]3CCC(=O)N3)O2)C1 1053692799 UGNLLNDYGWVUSM-OLZOCXBDSA-N 305.378 -0.362 30 20 DBED C=CCN1CC2(C[C@@H](NC(=O)Cn3nc(C)ccc3=O)CO2)C1 1053987023 DGIOGSIBAMFUJY-CYBMUJFWSA-N 318.377 -0.303 30 20 DBED C[C@@H]1CN(C(=O)c2cnc3c(c2)NC(=O)CO3)C[C@@H]1NCC#N 1054866552 JDWHDNPHYLTVAF-SKDRFNHKSA-N 315.333 -0.014 30 20 DBED N#Cc1nccc(N2CCN(C(=O)[C@H]3CC[C@@H]3C(N)=O)CC2)n1 1055974178 YNCNDQOYYGNAOF-QWRGUYRKSA-N 314.349 -0.492 30 20 DBED C#CCCCCC(=O)N1CCC[C@@](CO)(NC(=O)C(N)=O)C1 1056091147 PKUPZRWUPZWSAC-OAHLLOKOSA-N 309.366 -0.865 30 20 DBED N#Cc1nccnc1N[C@@H]1CCN(C(=O)[C@H]2COCCO2)C1 1056556464 AEKBALYGQAYIHT-ZYHUDNBSSA-N 303.322 -0.224 30 20 DBED N#Cc1cnc(N[C@@H]2CCN(C(=O)Cn3cnnc3O)C2)cn1 1056609112 LLDDIQJUYMVTFK-SECBINFHSA-N 314.309 -0.642 30 20 DBED C=CC(C)(C)C(=O)NCCN(CCO)C(=O)[C@@H](C)NC(C)=O 1056886563 XSQVTCFQUVFRTK-LLVKDONJSA-N 313.398 -0.340 30 20 DBED CN(c1cncc(C#N)n1)[C@@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 1056997479 CETCOAWRFGWFIH-NEPJUHHUSA-N 314.349 -0.479 30 20 DBED C=CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)[C@H]1CCOC1 1057147128 CRULDUPRLLLMPV-STQMWFEESA-N 314.382 -0.449 30 20 DBED Cc1n[nH]c(C)c1CC(=O)N(CCO)CCNC(=O)[C@@H](C)C#N 1057561639 WZZVBGYXIMAJPB-JTQLQIEISA-N 321.381 -0.334 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@H]1C[C@@H]1C 1057962093 HHBRBVRBOIGNGU-KKUMJFAQSA-N 321.421 -0.323 30 20 DBED CN(C[C@@H]1CCCN(C(=O)CC(N)=O)C1)c1cnc(C#N)cn1 1058682236 YCLQNCKVBYMVLZ-NSHDSACASA-N 316.365 -0.102 30 20 DBED CN1C[C@@H](C(=O)N2CC[C@H](Nc3nccnc3C#N)C2)NC1=O 1059023485 VQHYUAKZWJHHFN-ONGXEEELSA-N 315.337 -0.615 30 20 DBED C[C@@]1(C(=O)N[C@H]2C[C@@H](Nc3nccnc3C#N)C2)CNC(=O)C1 1059773171 DTJDEHFNQLVDFZ-WMFXKJRFSA-N 314.349 -0.066 30 20 DBED C=CCCC(=O)NC[C@@H]1COCCN1C(=O)[C@H](C)CC(N)=O 1061402007 PUKGXGJVHVSMHW-VXGBXAGGSA-N 311.382 -0.192 30 20 DBED C#CCCCCC(=O)NC[C@H]1COCCN1C(=O)c1nc[nH]n1 1061518744 BALVXHKVVRYGOU-LBPRGKRZSA-N 319.365 -0.045 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1COCCN1C(=O)CCCC(N)=O 1061568095 ATGOWRQRVDEOIG-CYBMUJFWSA-N 323.393 -0.355 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1COCCN1C(=O)[C@@H](C)CC(N)=O 1061568977 VRCZTTBUNBSNIU-QWHCGFSZSA-N 323.393 -0.499 30 20 DBED C=CCCC(=O)N1CCOC[C@@H]1CNC(=O)Cn1nccn1 1061616309 HPWRIESFDKTVBN-LBPRGKRZSA-N 307.354 -0.412 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)C1(N(C)C)CCC1 1061655552 QZARZYGOSXOVHC-OLZOCXBDSA-N 322.409 -0.026 30 20 DBED O=C(C#CC1CC1)NCC1(NC(=O)[C@@H]2CCC(=O)N2)CCC1 1062974170 PCSGSTCKVXZZLN-LBPRGKRZSA-N 303.362 -0.167 30 20 DBED CN(C(=O)[C@H]1C[C@H]1C(N)=O)[C@@H]1CCN(c2ccnc(C#N)n2)C1 1063030672 VJENYDOQNDTBQI-MXWKQRLJSA-N 314.349 -0.493 30 20 DBED C#CCO[C@@H](C)C(=O)NC1(CNC(=O)[C@H]2CCNC2=O)CCC1 1063910763 ZXWPDDUYRDEBJP-RYUDHWBXSA-N 321.377 -0.684 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CN(C(=O)CCc2cn[nH]c2)CCO1 1065200456 BJZDEWDATFBLAM-WCQYABFASA-N 319.365 -0.154 30 20 DBED Cc1nc[nH]c1CC(=O)NC[C@H]1CN(C(=O)[C@@H](C)C#N)CCO1 1065556394 HEUGJMXZZYOZMB-JQWIXIFHSA-N 319.365 -0.236 30 20 DBED N#Cc1nccc(N2CCOC[C@H]2CNC(=O)c2cocn2)n1 1066470486 OVZCHTFKJFIOJS-SNVBAGLBSA-N 314.305 -0.029 30 20 DBED C[C@H]1CN(C(=O)CS(C)(=O)=O)C[C@@H]1Nc1ccc(C#N)nn1 1067049043 IECSBQQSUDDBCQ-ONGXEEELSA-N 323.378 -0.348 30 20 DBED N#Cc1ccc(NCC2CC(NC(=O)[C@H]3COC(=O)N3)C2)nn1 1067845969 OYWBNNFQJXKNQM-BOBPJJCASA-N 316.321 -0.237 30 20 DBED CC(C)C#CC(=O)N1CCOC2(C1)CN(C(=O)c1nc[nH]n1)C2 1068395291 WHIWSHJVMHVHDQ-UHFFFAOYSA-N 317.349 -0.483 30 20 DBED C=CCN[C@@H]1CN(C(=O)C[C@@H]2COC(=O)C2)C[C@@H]1n1ccnn1 1070176504 DMJIOYKHHCTNPJ-XQQFMLRXSA-N 319.365 -0.241 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)[C@@H]2CCC(=O)N2)CCOCC1 1070182357 HFQSGUWRURTQDH-QWRGUYRKSA-N 322.365 -0.794 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@@H](NC(=O)[C@@H](C)OCC)C1 1070636404 WEHBJGXNVNAPBF-CHWSQXEVSA-N 323.393 -0.342 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)CN2CCCC2=O)CC1 1070938507 XATSDNBQFRFNAF-UHFFFAOYSA-N 322.409 -0.555 30 20 DBED N#CCN1CCNC(=O)CCN(C(=O)Cc2cncs2)CC1 1070971516 CTMVANZDPCQCMX-UHFFFAOYSA-N 321.406 -0.140 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C 1071919035 VYYNQFNFRWBWNQ-BXKDBHETSA-N 317.349 -0.401 30 20 DBED C=CCOCC(=O)N[C@H]1CN(C(=O)CCNC(N)=O)C[C@@H]1C 1072067069 RADODBVVGJMRJJ-QWRGUYRKSA-N 312.370 -0.790 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CN(C(=O)c2cnco2)C[C@H]1C 1072450508 MIANGJHAYVQGEO-MNOVXSKESA-N 318.333 -0.609 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)c2ccn3nnnc3c2)C1 1073726974 SIVSZRZVEQTSBF-CYBMUJFWSA-N 314.349 -0.422 30 20 DBED C=CCCC(=O)NCC1(O)CCN(C(=O)[C@H]2CCC(=O)N2)CC1 1074517737 ORNPERPNOOQDNG-GFCCVEGCSA-N 323.393 -0.299 30 20 DBED C[C@H]1[C@@H](NCC#N)CCN1C(=O)CC[C@H]1CC[C@@H](C(N)=O)O1 1074750720 BWDHHVBPHQDLNL-RNJOBUHISA-N 308.382 -0.098 30 20 DBED CNC(=O)NCC(=O)N[C@@H]1CCN(C(=O)C#CC2CC2)[C@@H](C)C1 1075026668 HMBQVFHHVNSPLP-WCQYABFASA-N 320.393 -0.176 30 20 DBED C[C@@H](CCNC(=O)c1c[nH]c(C#N)c1)NC(=O)Cn1cncn1 1076217963 PVBHHVGFLGAKEG-JTQLQIEISA-N 315.337 -0.197 30 20 DBED C#CCCCC(=O)N[C@@H](C)CCNC(=O)Cn1cnnc1O 1076225799 BSSRNCHSGVBRCU-NSHDSACASA-N 307.354 -0.202 30 20 DBED C#CCO[C@@H](C)C(=O)NCC[C@H](C)NC(=O)CCn1ccnn1 1076510289 IJYYZKPYPXEAGW-STQMWFEESA-N 321.381 -0.283 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)Cn1nccn1 1076696412 UBIMJUBWJBJGSY-XQQFMLRXSA-N 321.381 -0.120 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)c2ccnc3c2nnn3C)C1 1077577595 OKXZDIZWKZIVQG-VXGBXAGGSA-N 316.365 -0.286 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)Cn2c(C)cc(C)nc2=O)C1 1077903327 YHCIUTHMGKPVIW-CHWSQXEVSA-N 306.366 -0.793 30 20 DBED CCNC(=O)CC(=O)N(CC)C1CN(C(=O)C#CC2CC2)C1 1079646523 FYRGFBKZZMLXEG-UHFFFAOYSA-N 305.378 -0.015 30 20 DBED C[C@H](C#N)C(=O)NC1(CO)CCN(C(=O)c2cn(C)nn2)CC1 1080979865 CPFGLUDVQWAKPI-SNVBAGLBSA-N 320.353 -0.942 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@H](CNC(=O)CC(C)(C)O)C1 1081447274 LWHLNVBCRKUVIB-OLZOCXBDSA-N 310.394 -0.258 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2ncn(C)n2)C1 1081456463 ZPHCCSOJERCPKN-WDEREUQCSA-N 307.354 -0.670 30 20 DBED C#CCCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2csnn2)C1 1081623048 GCAUHVOQUHCFDB-CMPLNLGQSA-N 322.390 -0.109 30 20 DBED C=CCCCC(=O)NC[C@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@@H]1O 1081705813 VLCDHUQLWQUGNW-RYUDHWBXSA-N 323.393 -0.456 30 20 DBED CO[C@@H]1CN(Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)C(N)=O 1082086513 BBTYCODNBYIXGM-CHWSQXEVSA-N 320.324 -0.502 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1ccoc1CC(N)=O 1083176902 WXHQZCYXCPHWQN-WCQYABFASA-N 318.333 -0.644 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2cccc3c2OCCO3)C1 1083505482 PRBGPICDBSEXSA-NEPJUHHUSA-N 303.318 -0.244 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)c2c(C)c(C)nn(C)c2=O)C1 1083688761 IRWOHYIHFOSTDM-NEPJUHHUSA-N 306.366 -0.642 30 20 DBED Cc1nc(C)c(CC(=O)N[C@@H]2CN(CC#N)C[C@@H]2O)c(O)n1 1084050180 LOXQTDPFQNSRMR-NEPJUHHUSA-N 305.338 -0.974 30 20 DBED C#CCN1CC[C@H](NC(=O)[C@@H]2CN(C(C)=O)CCO2)[C@H]1CC 1087815538 QAOQRVSOPZNMAX-ZNMIVQPWSA-N 307.394 -0.164 30 20 DBED C=CCN1CC[C@@H]2CN(C(=O)Cn3c(O)nnc3O)C[C@@H]2C1 1088182971 LQKNLWOZARQPES-MNOVXSKESA-N 307.354 -0.344 30 20 DBED CCN(C)CCC(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1O 1090472968 BKYZLDRHZNLPIH-VXGBXAGGSA-N 318.381 -0.644 30 20 DBED C[C@@H](CC(N)=O)C(=O)N[C@H]1CCN(c2ccnc(C#N)n2)[C@@H]1C 1092033920 QWAWKWOCFHMJJB-AXFHLTTASA-N 316.365 -0.057 30 20 DBED Cc1cc(N2CCN(C(=O)[C@H](C)NC(N)=O)CC2)c(C#N)cn1 1093144690 ANFQDPMRLIYEQZ-NSHDSACASA-N 316.365 -0.033 30 20 DBED CCC(=O)N[C@H](C)C(=O)N1CCN(c2cnc(C#N)cn2)CC1 1093200602 TXYUHLFLRRPUOI-LLVKDONJSA-N 316.365 -0.088 30 20 DBED COC(=O)NCC(=O)NC1[C@@H]2CN(c3ccc(C#N)nc3)C[C@@H]12 1093240345 UXWSGAYFKZQWKE-VXGBXAGGSA-N 315.333 -0.140 30 20 DBED N#CCN1CC(OC2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)C1 1093574797 ADMFCWHAIZIBLE-OLZOCXBDSA-N 306.366 -0.677 30 20 DBED Cn1cnnc1COCC(=O)NCCNc1ccc(C#N)nc1 1093838275 YWAFZEDGJHCFEB-UHFFFAOYSA-N 315.337 -0.173 30 20 DBED C[C@@H](NC(=O)C(C)(C)C)C(=O)NCCN=c1cc[nH]c(C#N)n1 1094027260 VGQNMARBEFJQJB-SNVBAGLBSA-N 318.381 -0.151 30 20 DBED CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NCCNc1nccnc1C#N 1094141190 JUGDBQZLFOKEFA-VHSXEESVSA-N 302.338 -0.399 30 20 DBED CN1CC[C@H](CC(=O)NCCCN=c2cc[nH]c(C#N)n2)C1=O 1094633426 DZWWSYGJYQQUQZ-LLVKDONJSA-N 316.365 -0.443 30 20 DBED N#Cc1nc(=NCCCNC(=O)[C@H]2CCS(=O)(=O)C2)cc[nH]1 1094661861 LXDFFIGTBSBBHM-JTQLQIEISA-N 323.378 -0.877 30 20 DBED N#CCN1CC(N2C[C@H](NC(=O)c3cnns3)CC2=O)C1 1094712369 WNBJKVJRPJLATR-MRVPVSSYSA-N 306.351 -0.923 30 20 DBED N#Cc1ccc(C(=O)N2C[C@H]3C[C@H](NCC(N)=O)C[C@H]2C3)[nH]1 1094899761 SZLLKMIFIBCGFY-ZMLRMANQSA-N 301.350 -0.046 30 20 DBED CC(=O)N[C@@H](C)C(=O)N1CCCN(c2nccnc2C#N)CC1 1095161261 JAZIEBGZJXJNKR-NSHDSACASA-N 316.365 -0.088 30 20 DBED N#Cc1nccnc1N[C@@H](CNC(=O)[C@H]1COC(=O)N1)C1CC1 1096660705 YNQCEGOQWUOILM-WDEREUQCSA-N 316.321 -0.237 30 20 DBED CCC(=O)NCC(=O)N1CC[C@H](Nc2cncc(C#N)n2)C1 1096927319 LDDIHELPAGBRAJ-JTQLQIEISA-N 302.338 -0.113 30 20 DBED CCS(=O)(=O)CC(=O)N1CC[C@H](N=c2cc[nH]c(C#N)n2)C1 1096942984 OFGMGKAAFGXWDJ-JTQLQIEISA-N 323.378 -0.782 30 20 DBED C[C@H](NC(=O)CC(N)=O)[C@H]1CCCN(c2cncc(C#N)n2)C1 1097516746 UYYWSNAPIJPNAV-QWRGUYRKSA-N 316.365 -0.055 30 20 DBED C[C@H](CNC(=O)C[C@@H]1CC(=O)NC1=O)Nc1ccc(C#N)nc1 1097944362 WULBKQSCZVYCNG-NXEZZACHSA-N 315.333 -0.077 30 20 DBED Cc1cc(=N[C@@H](C)CNC(=O)CCn2cnnn2)c(C#N)c[nH]1 1098010743 DCOOYOQQICUXLO-NSHDSACASA-N 314.353 -0.323 30 20 DBED CC#CCN(CCO)C1CCN(C(=O)[C@@H]2CC[C@@H]2C(N)=O)CC1 1098447181 BXVZDGLNXAVXES-LSDHHAIUSA-N 321.421 -0.194 30 20 DBED Cn1ncc(CCC(=O)N2CCC(N(CC#N)CCO)CC2)n1 1098479992 KTLQWCOWOGZEHU-UHFFFAOYSA-N 320.397 -0.443 30 20 DBED COC(=O)NCC(=O)N1CC[C@H](CN=c2cc[nH]cc2C#N)C1 1098502741 HQHLDGNJXBSRLY-LLVKDONJSA-N 317.349 -0.008 30 20 DBED C=CCCNCc1cn([C@@H]2CCN(C(=O)CC(=O)NC)C2)nn1 1098658032 ANRLVQZNGHZHKI-CYBMUJFWSA-N 320.397 -0.147 30 20 DBED CC#CCN1C[C@H]2[C@@H]3CC[C@@H](CN3C(=O)CNC(N)=O)[C@H]2C1 1099403220 WYYZORMHHRFENL-DGAVXFQQSA-N 304.394 -0.153 30 20 DBED Cn1cc(CN2CC[C@@H](NC(=O)C#CC3CC3)[C@@H](O)C2)cn1 1099823952 MPLXDEPBXXFNBP-CABCVRRESA-N 302.378 -0.115 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)CCCC#CC)[C@@H](O)C1 1099962747 SXXCBHJOOWNCFN-GJZGRUSLSA-N 319.405 -0.519 30 20 DBED N#CCN1CC[C@H](NC(=O)CNC(=O)CC2CCCC2)[C@@H](O)C1 1100032244 REEILDQDXFWYOM-KBPBESRZSA-N 322.409 -0.242 30 20 DBED C#CCN1CC[C@@H](NC(=O)CNC(=O)c2ccsc2)[C@H](O)C1 1100120051 UEIBOJKSKRTGCK-CHWSQXEVSA-N 321.402 -0.338 30 20 DBED CN(CCNC(=O)[C@H]1CCCNC1=O)c1cnc(C#N)cn1 1100185360 WGARMCWTIIEFTF-NSHDSACASA-N 302.338 -0.573 30 20 DBED CN(CCNC(=O)[C@@H]1CC(=O)NC(=O)N1)c1ncccc1C#N 1100348419 LANINYMTJBTEMC-JTQLQIEISA-N 316.321 -0.896 30 20 DBED N#Cc1nccc(N2CCC[C@H]2CNC(=O)Cn2ncnn2)n1 1100867916 IVFBOBUIVWFFBF-JTQLQIEISA-N 313.325 -0.880 30 20 DBED Cc1cc(C#N)nc(N(CCCNC(=O)C(N)=O)C(C)C)n1 1102141198 FBVHVRKTRASQPI-UHFFFAOYSA-N 304.354 -0.137 30 20 DBED CCc1nc(C#N)cc(N2CC[C@@H](N(CC)C(=O)C(N)=O)C2)n1 1102833382 JKIXJWBCBFJZGB-LLVKDONJSA-N 316.365 -0.177 30 20 DBED N#Cc1cncc(NC2(CNC(=O)CNC(N)=O)CCCC2)n1 1104369548 WZKQAVJCUGFHTL-UHFFFAOYSA-N 317.353 -0.143 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)c1cc(=O)n(C)o1 1104538428 QWBLJGSKVPRZTB-SECBINFHSA-N 316.321 -0.366 30 20 DBED N#CCNCc1cn(C2CN(C(=O)C3CCC(O)CC3)C2)nn1 1105223729 GXBNFBJTBXHEDV-UHFFFAOYSA-N 318.381 -0.174 30 20 DBED CN(CCN(C)c1cncc(C#N)n1)C(=O)C1CS(=O)(=O)C1 1105480053 ZVSJWGLREBQQTD-UHFFFAOYSA-N 323.378 -0.713 30 20 DBED CC#CCN[C@@H]1C[C@]2(C[C@H]1O)CN(C(=O)C(N)=O)[C@H]2C(C)C 1105653415 UPPKIGUAZZWYCF-FOCJUVANSA-N 307.394 -0.539 30 20 DBED CC(=O)N(C)CC(=O)NC[C@H](O)CNc1ccc(C#N)c(C)n1 1105778085 LRZWNKLGIKMCMN-CYBMUJFWSA-N 319.365 -0.371 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)[C@@H](C)NC(C)=O)C[C@H]1C 1105793612 LNYRUXXQMOVWDX-UMVBOHGHSA-N 309.410 -0.155 30 20 DBED CN1CC[C@H](CC(=O)NC[C@H](O)CN=c2cc[nH]c(C#N)n2)C1 1105913785 IZWQLIPUFCQDIU-VXGBXAGGSA-N 318.381 -0.999 30 20 DBED CN1CC[C@H](C(=O)NC[C@@H](O)CNc2ccc(C#N)cn2)C1=O 1106064358 SNKAXLZFEDIPQF-NWDGAFQWSA-N 317.349 -0.679 30 20 DBED N#Cc1nccnc1NC[C@H](O)CNC(=O)[C@]1(F)CCOC1 1106073815 YTDVFRCMNNGWBM-ZANVPECISA-N 309.301 -0.634 30 20 DBED C[C@@H]1CN(C(=O)c2cc(C(N)=O)cn2C)C[C@H]1CNCC#N 1106381070 VJXRSXIQJJWNMT-ZYHUDNBSSA-N 303.366 -0.055 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)c1cc(=O)n(C)o1 1106736604 ODMIAPZFDNXTNK-UHFFFAOYSA-N 316.321 -0.364 30 20 DBED C=CCO[C@@H](C)C(=O)NCc1cn(C2CN(CCCO)C2)nn1 1107240553 CVMACKNQZUUXIF-LBPRGKRZSA-N 323.397 -0.276 30 20 DBED C[C@H](C(=O)NC[C@@]1(C)CN(CC(=O)NCC#N)CCO1)C1CC1 1107845543 IJEHVVIQJDBENO-LRDDRELGSA-N 322.409 -0.121 30 20 DBED CC(=O)N1CC[C@@H](C(=O)N[C@@H](C)CN=c2cc[nH]c(C#N)n2)C1 1108472572 BRJSVYGPYYHVBG-CMPLNLGQSA-N 316.365 -0.445 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CC(=O)N(C2CN(CCF)C2)C1 1108538771 NRJDRIXQZKFRNZ-IAQYHMDHSA-N 313.373 -0.316 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCN(C)CC 1109928292 PFTUQDLBCJZWJQ-ILXRZTDVSA-N 320.437 -0.201 30 20 DBED C[C@H]1C[C@@H](N=c2cc[nH]cc2C#N)CCN1C(=O)CNC(N)=O 1110506808 CBVRTASBIYILFM-JQWIXIFHSA-N 316.365 -0.165 30 20 DBED CN(CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC#N)S(C)(=O)=O 1110618966 KNXGLNALLVXLTN-MXWKQRLJSA-N 300.384 -0.877 30 20 DBED C[C@@H](CC(N)=O)C(=O)N[C@]1(C)CCN(c2ccc(C#N)nn2)C1 1110802602 REZKUKOARJXZJM-ZUZCIYMTSA-N 316.365 -0.055 30 20 DBED COC[C@H](C)C(=O)NC[C@@]1(O)CCN(c2cncc(C#N)n2)C1 1111043506 GPZVMTDCNJXIPF-NHYWBVRUSA-N 319.365 -0.312 30 20 DBED C[C@H]1CN(C(=O)CNC(N)=O)C[C@H]1N=c1cc[nH]cc1C#N 1112306878 NSFNADUSEUREJP-JOYOIKCWSA-N 302.338 -0.698 30 20 DBED CNC(=O)CC(=O)N1C[C@H](C)[C@@H](Nc2cncc(C#N)n2)C1 1112308941 PTYVTZOBBDEAPK-ONGXEEELSA-N 302.338 -0.257 30 20 DBED COCC(=O)NC1(CO)CCN(c2ccc(C#N)nn2)CC1 1112644690 REHKJARUSJTXJY-UHFFFAOYSA-N 305.338 -0.558 30 20 DBED COCCCNC(=O)CN1CCN(C(=O)C#CC2CC2)CC1 1112824952 MSQMSFCODOSRBZ-UHFFFAOYSA-N 307.394 -0.303 30 20 DBED COCC#CCN1CCN(C(=O)[C@H]2CCN(C)C(=O)C2)CC1 1113022622 KRCVNVXFSFGDRR-AWEZNQCLSA-N 307.394 -0.351 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)c2ccnnc2C)CC1 1113071203 LDZHDFJGCQYALP-CYBMUJFWSA-N 315.377 -0.319 30 20 DBED C[C@H](NC(=O)c1nnn(C)n1)[C@H](C)Nc1nccnc1C#N 1113258299 CZGJKMYVAVXJKV-YUMQZZPRSA-N 301.314 -0.509 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)c2[nH]cnc2C)CC1 1113740537 JNIUPQWCNOPRTH-GFCCVEGCSA-N 303.366 -0.386 30 20 DBED C=CCNC(=O)NC(=O)CN1C[C@H]2C(NC(=O)C3CC3)[C@@H]2C1 1113754565 GENPYIWSTIJMNU-GHMZBOCLSA-N 306.366 -0.545 30 20 DBED C[C@@H](CNC(=O)[C@H](C)CC(N)=O)N(C)c1ccc(C#N)nn1 1113799348 CPVJOHPIOYOGOC-ZJUUUORDSA-N 304.354 -0.199 30 20 DBED CC(=O)NCC(=O)N[C@H]1CN(c2cnc(C#N)cn2)CC[C@H]1C 1113993943 GTXSHDHETBUYIV-MFKMUULPSA-N 316.365 -0.185 30 20 DBED N#Cc1cc(C(=O)N[C@H]2[C@@H]3CN(CCOCCO)C[C@@H]32)c[nH]1 1114148345 FCNVRTLFJPYCNA-WDNDVIMCSA-N 304.350 -0.445 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1[C@@H]2CN(Cc3nccs3)C[C@@H]21 1114157349 CPFIPXVGFVQQBI-HBYGRHMLSA-N 318.402 -0.171 30 20 DBED C#CCCN1C[C@@H]2C(NC(=O)CCN3C(=O)CCC3=O)[C@H]2C1 1114537930 LLDVOEVBCPAUQR-RYUDHWBXSA-N 303.362 -0.405 30 20 DBED N#CCNC(=O)CN1C[C@H]2C(NC(=O)c3ncccc3F)[C@@H]2C1 1115013240 JCXOGJVRNWPJEM-NXEZZACHSA-N 317.324 -0.480 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)c3oncc3C)[C@H]2C1 1115063183 IZQKUGCJJNCTHP-QWRGUYRKSA-N 304.350 -0.055 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)CCCC(=O)N(C)C)[C@@H]2C1 1115138580 WLQADGSVLSBZJW-ZIAGYGMSSA-N 321.421 -0.059 30 20 DBED Cn1c(C=Nn2ccccc2=O)nc2c1c(O)nc(=O)n2C 1116481723 CTYJZLFVWHTZFZ-UHFFFAOYSA-N 300.278 -0.584 30 20 DBED N#CCCC[C@H](N)C(=O)NCCCN1CCC[C@@H](C(N)=O)C1 1118131016 PXHCRUSZJYCZIQ-OLZOCXBDSA-N 309.414 -0.289 30 20 DBED C[C@H](O)C[C@@H]1CCCN1C(=O)C(=O)N1CC[C@](O)(CC#N)C1 1118184913 NSWWOLJZZRHNFP-SLEUVZQESA-N 309.366 -0.375 30 20 DBED C#CC1CCN(C(=O)C(=O)NCc2nnc3n2CCOC3)CC1 1118223612 OQZHDFCVFGXEII-UHFFFAOYSA-N 317.349 -0.704 30 20 DBED C[C@H](CN(C)C(=O)Cc1nc[nH]n1)Nc1ccc(C#N)nn1 1120067742 KSDOSBAHQTVXQF-SECBINFHSA-N 300.326 -0.032 30 20 DBED C=CCN(C)c1nnnn1CCS(=O)(=O)C1CCOCC1 1120303038 SRZYWESZKJTCPL-UHFFFAOYSA-N 315.399 -0.111 30 20 DBED CC(C)SCC(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1 1121078625 DFWMHKYRHZQBSN-JTQLQIEISA-N 309.395 -0.199 30 20 DBED CN1CCC[C@@H]1C(=O)NC[C@@H](CO)Nc1nccnc1C#N 1121239376 AWLZMTNHMBSQNZ-CMPLNLGQSA-N 304.354 -0.669 30 20 DBED CCCN(C)CCC(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1 1121837571 BTZSZMNASKXOQP-GFCCVEGCSA-N 320.397 -0.609 30 20 DBED CCn1cc(C(=O)NC[C@H](CO)Nc2ccc(C#N)nn2)nn1 1121926811 FTTNUULLVZAXTB-SNVBAGLBSA-N 316.325 -0.838 30 20 DBED N#Cc1cnc(N[C@H](CO)CNC(=O)c2cnnc(O)c2)cn1 1122158157 IURLYFZJOLCXBA-JTQLQIEISA-N 315.293 -0.953 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H](CO)CNC(=O)C1(F)CCOCC1 1122748618 WFLGKHNXBMQUJF-GFCCVEGCSA-N 322.340 -0.217 30 20 DBED C[C@@H]1C[C@H](Nc2cnc(C#N)cn2)CN1C(=O)CNC(N)=O 1123147075 PFQNSOCILAIOBJ-BDAKNGLRSA-N 303.326 -0.582 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)COCC1CC1 1124009182 KWDJVPRUEAAZJW-UHFFFAOYSA-N 312.370 -0.869 30 20 DBED CN(C[C@H](O)CNc1cncc(C#N)n1)C(=O)Cn1cccn1 1124116461 IKNVEKPIOIGFBG-GFCCVEGCSA-N 315.337 -0.524 30 20 DBED CN(C[C@@H](O)CNc1ccc(C#N)cn1)C(=O)c1nc[nH]n1 1124459719 CCMUGSVVSUNLLJ-JTQLQIEISA-N 301.310 -0.384 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)[C@@H]1CCCN1C 1124867393 VHSRAYFJXYFXLC-AWEZNQCLSA-N 308.426 -0.013 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)Cc2cncnc2)C1=O 1126406455 BFOIYRIWAJLFSF-CYBMUJFWSA-N 303.366 -0.488 30 20 DBED N#CCNC(=O)CNCCNC(=O)Cc1n[nH]c2c1CCCC2 1127317573 RHDIYCHXRHZOIT-UHFFFAOYSA-N 318.381 -0.823 30 20 DBED C[C@@H](C(=O)NCc1cnn2c1CN(CC#N)CC2)n1cncn1 1128312175 JPRWFGFWVIFCEW-NSHDSACASA-N 314.353 -0.309 30 20 DBED C#CCCN1CCn2ncc(CNC(=O)[C@H](C)NC(N)=O)c2C1 1128316096 IPRBCZHWVMVIOV-NSHDSACASA-N 318.381 -0.605 30 20 DBED C#CCC1(C(=O)NCCN[C@@H]2CCC(=O)NC2=O)CCOCC1 1129116546 ALSKGUOBFPLNEW-GFCCVEGCSA-N 321.377 -0.683 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)C2(CN(C)C)CC2)C1 1129219199 AHEWXFZJGDRVHR-KGLIPLIRSA-N 316.409 -0.405 30 20 DBED C#CCCN1C[C@H](NC(=O)CCS(=O)(=O)NC)CC[C@H]1C 1132039580 ZOXJFCRXMYAPKO-CHWSQXEVSA-N 315.439 -0.082 30 20 DBED N#CCNC(=O)CNCCNC(=O)CCc1ccc(O)nc1 1132844866 XAKSFTMJIHLWMZ-UHFFFAOYSA-N 305.338 -0.935 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)CC1(O)CCC1 1134307738 OICOSRUVLJEKEG-OLZOCXBDSA-N 309.410 -0.086 30 20 DBED C#CCCN[C@H](C)C[C@@H](C)NC(=O)CN(C)S(C)(=O)=O 1134508470 CLHZXWJEFSURKM-VXGBXAGGSA-N 303.428 -0.226 30 20 DBED C=CCCN[C@@H](C)C[C@H](C)NC(=O)Cn1ccc(=O)n(C)c1=O 1134541472 RCSZTYBXAZCOGU-STQMWFEESA-N 322.409 -0.004 30 20 DBED N#Cc1ccccc1CNCCNC(=O)CN1CC(=O)NC1=O 1135440173 HKUDKXPJAVTUKZ-UHFFFAOYSA-N 315.333 -0.684 30 20 DBED C=CCOCCNCCNC(=O)CC(=O)NCC(F)(F)F 1136018093 XETRQXSOOPZKGE-UHFFFAOYSA-N 311.304 -0.037 30 20 DBED C#CCNC(=O)[C@H](C)N1CCCO[C@H](CNC(=O)C(F)F)C1 1149038479 LZNWPMHZLRNHCD-WDEREUQCSA-N 317.336 -0.404 30 20 DBED C#CCNC(=O)CN1CCCO[C@H](CNC(=O)/C=C\C2CC2)C1 1149520367 GKOUYMSGUNEUIY-IDTUSYRASA-N 319.405 -0.091 30 20 DBED C#CCCN1CCCO[C@H](CNC(=O)C2(C(=O)NC)CC2)C1 1150436508 UDAPPZGSHXTSHD-CYBMUJFWSA-N 307.394 -0.257 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@@H]1CCCN1C(=O)CCC 1152103270 VGOIJIADODYMOZ-ZDUSSCGKSA-N 322.409 -0.767 30 20 DBED N#Cc1ccc(CNCCCNC(=O)Cn2cnnn2)cc1F 1154503255 OWQZBWLDJSIVEF-UHFFFAOYSA-N 317.328 -0.020 30 20 DBED C=C(C)CN(CC)[C@H](C)CNC(=O)CNS(=O)(=O)N(C)C 1155528249 FMDAXSUFJUOIQX-GFCCVEGCSA-N 320.459 -0.215 30 20 DBED C#CCO[C@@H](C)C(=O)NCCCNCc1nnc2n1CCOC2 1157870212 YQOZPKKSCAOETP-LBPRGKRZSA-N 321.381 -0.558 30 20 DBED C=CCOCCNCC1(CCNC(=O)c2nnn(C)n2)CC1 1166672893 VCZXLIOWXOEEBP-UHFFFAOYSA-N 308.386 -0.098 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)NCCCN[C@@H]1CCNC1=O 1167685442 SKRLKXRNTJTAQM-CHWSQXEVSA-N 310.398 -0.558 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1cn(CCC=C)nn1 1167992303 VLMMEPUIQFEUBF-UHFFFAOYSA-N 318.381 -0.687 30 20 DBED N#CCNC(=O)CNCCCNC(=O)c1cnn2ccccc12 1168633858 JUQBEGWKLPIQBE-UHFFFAOYSA-N 314.349 -0.316 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)Cc1[nH]cnc1C 1174690071 AFOPXAIWKFVTBX-GFCCVEGCSA-N 305.382 -0.506 30 20 DBED C[C@H](CCCCNCC(=O)NCC#N)NC(=O)c1ccnnc1 1175433839 NMZSOQHNWKPQML-GFCCVEGCSA-N 318.381 -0.005 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2cnc(C)[nH]2)[C@H]1C 1178345461 BIOCDZNAJCZYGX-JQWIXIFHSA-N 303.366 -0.340 30 20 DBED C#CCOCCC(=O)N1C[C@@H](C)[C@](C)(CN[C@H](C)C(N)=O)C1 1181448749 QXOITLNXTVIFFF-XJKCOSOUSA-N 309.410 -0.026 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](NC[C@H](O)CN2CCCC2=O)C1 1181653023 UISQNWSTXLKAHU-UPJWGTAASA-N 308.382 -0.680 30 20 DBED C#CCNC[C@]1(C)CN(C(=O)C[C@H](NC(C)=O)C(N)=O)C[C@H]1C 1182822170 DPLJGAWZDAQMBI-PVXIVEMSSA-N 322.409 -0.926 30 20 DBED N#CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1184416588 RPGSAGVZHBGLLQ-JWOJSXKRSA-N 318.377 -0.760 30 20 DBED COCC#CCN1C[C@@H]2CCN(C(=O)[C@@H]3COCCN3C)[C@@H]2C1 1187553743 PNVIADKXMYNQEV-XHSDSOJGSA-N 321.421 -0.501 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H](CC(C)C)C(N)=O)C1 1188461910 QOQTVNITDSXRAS-CHWSQXEVSA-N 324.425 -0.373 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@@H]1CCN(C(=O)c2cnn(C)c2)C1 1188814991 YITVBXOLIRMPQW-TZMCWYRMSA-N 317.393 -0.296 30 20 DBED C#CCN(C)[C@H]1CCN(C(=O)CS(=O)(=O)CCOC)C1 1190973285 MDFVNGYGTDQNRO-LBPRGKRZSA-N 302.396 -0.787 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2cnccc2C)C1 1191986558 CAICAFOTMILESI-ZIAGYGMSSA-N 318.377 -0.533 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H](CC)SC)C1 1192258293 SQNCSISNJKATDG-IJLUTSLNSA-N 315.439 -0.409 30 20 DBED COc1nccc(CN2C[C@@H](O)[C@H](NC(=O)C#CC3CC3)C2)n1 1192770772 RRECLVKXOADUNN-ZIAGYGMSSA-N 316.361 -0.440 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@@H]1CCN(C(=O)c2ncccn2)C1 1193018484 TUESTHCHMJHMCH-QWHCGFSZSA-N 315.377 -0.239 30 20 DBED CCc1nc[nH]c1C(=O)N1CC[C@@H](N(C)CC(=O)NCC#N)C1 1193777554 NNJYUJUPUVADSE-LLVKDONJSA-N 318.381 -0.242 30 20 DBED C=C[C@H](CC)CC(=O)N[C@@H]1CN(Cc2nnn(C)n2)C[C@H]1O 1195554890 RYQAPEYIKODTAT-IJLUTSLNSA-N 308.386 -0.526 30 20 DBED C=CCCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC(=O)N(C)C2)C1 1199087944 DTBWSDRIWNRWCI-BFHYXJOUSA-N 309.410 -0.018 30 20 DBED C#CCNC(=O)[C@H](C)NC1CCN(C(=O)[C@H]2CCCO2)CC1 1199216345 CCLOCEXGGFZUOE-GXTWGEPZSA-N 307.394 -0.116 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)CCCn2ccnc2)C1 1199353541 GYONASSBIFPSJX-HUUCEWRRSA-N 320.393 -0.526 30 20 DBED CCCNC(=O)NC(=O)CNC1CCN(C(=O)[C@H](C)C#N)CC1 1199825983 DWKUOONSWXRELE-LLVKDONJSA-N 323.397 -0.038 30 20 DBED CC(C)C#CC(=O)N1CCCO[C@H](CNCC(=O)NCC#N)C1 1200460951 DJOIDWHHKCCDCX-CQSZACIVSA-N 320.393 -0.507 30 20 DBED CC(C)N1CCO[C@H](C(=O)N2CCCO[C@@H](CNCC#N)C2)C1 1201245703 LRDHDAHWHBVMNU-GJZGRUSLSA-N 324.425 -0.174 30 20 DBED N#CCNC[C@H]1CN(C(=O)c2cccnc2C(N)=O)CCCO1 1202122847 BDFJDJMIGOWMIW-NSHDSACASA-N 317.349 -0.475 30 20 DBED CC#CCN[C@@H]1C[C@@H](NC(=O)CN2CCOCC2=O)C12CCC2 1203036006 IWFSXSPVRUUWSQ-ZIAGYGMSSA-N 319.405 -0.115 30 20 DBED COCC#CCN[C@H]1C[C@@H](NC(=O)c2nnn(C)n2)C12CCC2 1203266805 VFKYEZVPIWDLBA-NWDGAFQWSA-N 318.381 -0.510 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)CNC(=O)CC)C1 1207701545 MLTHTAVQRSHBCR-CHWSQXEVSA-N 322.409 -0.769 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@H](NCC(=O)N(C)CC)C1 1207870163 RCXVGZBWMOTAIC-ZDUSSCGKSA-N 322.409 -0.815 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@@H](OC)C(C)C)C1 1209446760 UWVHPBCRXQLHPT-HIFRSBDPSA-N 309.410 -0.013 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)C2(C)CCOCC2)[C@H](C)C1 1209488399 MJISCUBBCATASO-ZIAGYGMSSA-N 321.421 -0.011 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)[C@H](COC)OC)C1 1209544723 XJAFIGLGNLJOLE-STQMWFEESA-N 313.398 -0.469 30 20 DBED COCC#CCN[C@@H]1CCCN(C(=O)c2cc(C(N)=O)c[nH]2)C1 1210316572 XXAHGTCSNISANK-CYBMUJFWSA-N 318.377 -0.042 30 20 DBED C=CCOCCN[C@@H]1CCCN(C(=O)CS(=O)(=O)NC)C1 1211126741 VEMVRUJXUDXSMA-GFCCVEGCSA-N 319.427 -0.681 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@@H](NCC(=O)NCC2CC2)[C@H](C)C1 1214602191 LQTQPRAPJFXXEF-VNHYZAJKSA-N 321.421 -0.013 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2ccc(F)cc2)C1 1219098256 DFQKTPQPUXAZHL-KGLIPLIRSA-N 319.336 -0.650 30 20 DBED COc1ccc(CN2C[C@H](O)[C@H](NC(=O)[C@@H](C)C#N)C2)cn1 1219378985 KQNGAHXIRNJRHI-UHTWSYAYSA-N 304.350 -0.089 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)C2(F)CCOCC2)C1 1219767591 ZLZGYXJKMRNMTD-OLZOCXBDSA-N 316.373 -0.131 30 20 DBED CCCC1(C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@@H]2O)CCC1 1220181087 ZFTSLNSCSOTHBM-OLZOCXBDSA-N 322.409 -0.242 30 20 DBED C[C@H](OCc1ccncc1)C(=O)N[C@@H]1CN(CC#N)C[C@@H]1O 1220385845 RJQHCNRNPIZJEK-YUTCNCBUSA-N 304.350 -0.328 30 20 DBED Cn1ccc(C(=O)N2C[C@H]3CCN(CC(=O)NCC#N)C[C@H]32)c1 1221477850 LIBFYVWBDXPJSD-TZMCWYRMSA-N 315.377 -0.189 30 20 DBED COCC#CCN1CC[C@@H]2CN(C(=O)[C@H]3CCN(C)C3=O)[C@@H]2C1 1221750407 DYMRLYYOSOFEEA-QLFBSQMISA-N 319.405 -0.353 30 20 DBED N#CCNC(=O)CN1CCC(CNC(=O)c2cn[nH]c2)CC1 1222439678 CHODVZPCLBMYCS-UHFFFAOYSA-N 304.354 -0.509 30 20 DBED N#CCNC(=O)CN1CCC(NC(=O)c2ccsn2)CC1 1227938283 VADIUOPYBYDRAS-UHFFFAOYSA-N 307.379 -0.023 30 20 DBED C[C@@]1(CC(=O)NC2CCN(CC#N)CC2)CCS(=O)(=O)N1 1230133568 SRVRIRVZQZADJY-ZDUSSCGKSA-N 314.411 -0.438 30 20 DBED C=CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)CN(C)C(C)=O 1230819403 UHIFJMFJCLSTJZ-CYBMUJFWSA-N 310.398 -0.700 30 20 DBED C=CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)[C@@H]1CC(=O)N(C)C1 1234634864 RSBLYJREXOZOPA-CHWSQXEVSA-N 322.409 -0.700 30 20 DBED C=CCC[C@H](O)CN1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 1319636059 RJOJETKRZNLHKC-MJBXVCDLSA-N 318.439 -0.911 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N1CC[C@H](COCCOC)C1 1323820038 PNEADPBKNSSCRW-STQMWFEESA-N 314.382 -0.185 30 20 DBED C=C[C@@H](COC)NC(=O)CNS(=O)(=O)c1cn(C)c(C)n1 1324036789 ALPBPMRSXFXWBW-JTQLQIEISA-N 316.383 -0.676 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N(C)[C@@H]1CCNC1=O 1324181835 QRHHVQFOCVVOBP-UTUOFQBUSA-N 309.366 -0.569 30 20 DBED N#Cc1ccc(CNC(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)nc1 1326920363 RCNKWMNBDPNJOG-NSHDSACASA-N 314.305 -0.601 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N1C[C@@H](C)[C@H](C(=O)OC)C1 1329452142 GSAKSEOPCGTGOY-CHWSQXEVSA-N 304.346 -0.261 30 20 DBED N#CCNC(=O)CNC(=O)NCc1nnnn1-c1ccccc1 1329986226 ATSBVAYMSUMHQQ-UHFFFAOYSA-N 314.309 -0.899 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N[C@H]1CCCN(C)C1=O 1331047107 ICSUMENMYRDIMZ-LBPRGKRZSA-N 309.366 -0.778 30 20 DBED NC(=O)CNC(=S)NN=C1CCOC2(CCOCC2)C1 1331330626 PIEZSPUZXDLXLJ-UHFFFAOYSA-N 300.384 -0.349 30 20 DBED C=CCN(CCOC)C(=O)c1cn(C[C@H]2CNC(=O)O2)nn1 1337635753 HOEXZZKPTQYQGX-SNVBAGLBSA-N 309.326 -0.339 30 20 DBED C=CCCC[C@@H](N)C(=O)N1CCN(S(=O)(=O)N(C)C)CC1 1341994275 JMOLRWGSTFUTKG-GFCCVEGCSA-N 318.443 -0.379 30 20 DBED CC#CCn1nnnc1N1CCC(C(=O)NCCOC)CC1 1344539490 LZHSWOYHJWCVOC-UHFFFAOYSA-N 306.370 -0.325 30 20 DBED C#CC1CCN(C(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CC1 1349213601 WTUDEDXIFFLWTD-CABCVRRESA-N 319.405 -0.162 30 20 DBED C=CCOCCNC(=O)C(=O)NCc1ccc(C)n(C)c1=O 1350578458 FSEKQEKPFNPNAZ-UHFFFAOYSA-N 307.350 -0.371 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N1CCN([C@@H]2CCOC2)CC1 1350816961 GPPNMQSDTXMNMX-QWHCGFSZSA-N 311.382 -0.763 30 20 DBED CNC(=O)NCC(=O)N(C)C1CCC(NC(=O)[C@@H](C)C#N)CC1 1382818990 LTTPZQNQGRWAND-UNXYVOJBSA-N 323.397 -0.039 30 20 DBED COc1ccnc(C(=O)NC[C@H](O)CNC(=O)[C@@H](C)C#N)c1 1389096429 AQGURJMCCOFMIG-VHSXEESVSA-N 306.322 -0.543 30 20 DBED C[C@@H](CNC(=O)Cn1cncn1)NC(=O)c1cc(C#N)c[nH]1 1392751582 UBDTWRJHOUSEHQ-VIFPVBQESA-N 301.310 -0.587 30 20 DBED C=C(Cl)CN1C[C@@H]2CC[C@H](C1)N2C(=O)CS(=O)(=O)NC 1402424112 SWDAOPGJASSKHZ-PHIMTYICSA-N 321.830 -0.037 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1conc1C1CC1 1416781790 KLWHMQPEGSBMFC-PSASIEDQSA-N 306.322 -0.081 30 20 DBED Cc1nn(C)c(NC(=O)Cn2ccc(=O)n(C)c2=O)c1C#N 1417565011 RYQUYESMQXTMCK-UHFFFAOYSA-N 302.294 -0.901 30 20 DBED Cn1c(C#N)ccc1C(=O)N(CCO)CCN1CCOCC1 1417685825 JJXVEFNXPVLROE-UHFFFAOYSA-N 306.366 -0.337 30 20 DBED C[C@@H](C#N)C(=O)NCCN1CCN(Cc2cnsn2)CC1 1417915027 CLUASECRJKKSOY-NSHDSACASA-N 308.411 -0.068 30 20 DBED COCC(=O)NCC1(O)CN(Cc2ccc(OCC#N)cc2)C1 1421385721 FCPCDWZOFKZSIH-UHFFFAOYSA-N 319.361 -0.102 30 20 DBED CCN(CCNC(=O)[C@H](C)C#N)C(=O)c1cccn2nnnc12 1431688572 PAXRFACTNVZXBP-SNVBAGLBSA-N 315.337 -0.138 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]1CNC(=O)C(C)(C)S(C)(=O)=O 1432114759 AIAWRTFMMSGFQH-UWVGGRQHSA-N 315.395 -0.314 30 20 DBED CN(Cc1cnccn1)C(=O)CCn1cc(C#N)c(O)nc1=O 1433716257 IFUFJCMMHNQWIJ-UHFFFAOYSA-N 314.305 -0.341 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)C[C@H]2CCC(=O)NC2)CC1 1453425250 QNQMZJMYSBGLMO-GHMZBOCLSA-N 306.366 -0.173 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1ccn(C(F)F)n1 1458003756 QFOVDXAOXRPKGI-HTQZYQBOSA-N 315.280 -0.355 30 20 DBED CC(=O)NC[C@@H]1CCCCN1c1[nH]c(=O)n(C)c(=O)c1C#N 1472844996 KYXFQIPWADKJDD-JTQLQIEISA-N 305.338 -0.560 30 20 DBED C#CCCNC[C@@H]1CCCCN1C(=O)[C@@H](C)NS(C)(=O)=O 1480363129 QZSXEWLLYBQVPP-OLZOCXBDSA-N 315.439 -0.082 30 20 DBED C=C(Cl)CN1CC[C@@H]1CNC(=O)CNS(=O)(=O)CC 1483653441 PJCXBERTKKGRQS-SNVBAGLBSA-N 309.819 -0.131 30 20 DBED CCN(CCC#N)C(=O)CN[C@@H](C)[C@H]1CN(C(C)=O)CCO1 1485630564 IWSDHRWTSMUOLG-GXTWGEPZSA-N 310.398 -0.026 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC[C@H](NC(=O)c2cncnc2)C1 1490432492 PJSQUPVHCVOJKX-JSGCOSHPSA-N 315.377 -0.191 30 20 DBED C=CCn1c([C@H](O)COC)nnc1N(C)C[C@@H](C)C(=O)NC 1520650013 UYXNPEYFTFHCDG-GHMZBOCLSA-N 311.386 -0.038 30 20 DBED C[C@H](C#N)C(=O)NCCN(C(=O)[C@@H]1CCC(=O)N1C)C1CC1 1529854686 WOIJXXNKANOBBC-PWSUYJOCSA-N 306.366 -0.126 30 20 DBED C[C@@H](C(=O)NCc1ccnc(-c2nn[nH]n2)c1)n1cnc(C#N)n1 1573728250 CGVDHHFNFAMFLQ-QMMMGPOBSA-N 324.308 -0.398 30 20 DBED N#Cc1cncc(CNC(=O)CCNC(=O)[C@@H]2CCCN2)c1 1580081286 AKEPDUCTMODFKN-ZDUSSCGKSA-N 301.350 -0.172 30 20 DBED C=CCNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1C(=O)O 1588844903 YTMIJOTWTBEBOS-UHFFFAOYSA-N 323.330 -0.163 30 20 DBED N#Cc1ccc([C@@H](O)C(=O)NCCOCCOCC(=O)O)cc1 1594618008 XLDBNRNTMXREFV-CQSZACIVSA-N 322.317 -0.174 30 20 DBED N#Cc1cc(C(=O)NCC2CN(C(=O)[C@@H]3C[C@H]3C(=O)O)C2)c[nH]1 1601085541 BRAOCTLYMOVATD-VXGBXAGGSA-N 316.317 -0.205 30 20 DBED N#CCN1CCC(NC(=O)N2C[C@H]3COC[C@@]3(C(=O)O)C2)CC1 1605586515 YETSPDRAABERNK-NHYWBVRUSA-N 322.365 -0.283 30 20 DBED C[C@@H](C(=O)N1CCN(CCC(=O)O)C[C@H]1C)n1cnc(C#N)n1 1609869240 VNJNZCUKCMZVMU-MNOVXSKESA-N 320.353 -0.282 30 20 DBED C=C(C)CNC[C@H]1CCCCN1C(=O)Cn1cnc(C(N)=O)n1 1731546132 SAUJHXCVYKSEKL-GFCCVEGCSA-N 320.397 -0.076 30 20 DBED CCCn1cc(C(=O)N[C@H]2C[C@@H](NCC(=O)NCC#N)C2)cn1 1752769551 STJQTCMYPXVRER-BETUJISGSA-N 318.381 -0.217 30 20 DBED CC#CCN1CCC[C@H](CNC(=O)CCCS(N)(=O)=O)C1 1752785967 HTMXOULOHAKKRK-CYBMUJFWSA-N 315.439 -0.093 30 20 DBED C#CCNC(=O)[C@H](C)N(C)CCNC(=O)c1nccn1CC 1753047249 CNEZNEBHJSXHKE-LBPRGKRZSA-N 305.382 -0.298 30 20 DBED C=CCNC(=O)[C@H](C)N1CC(NC(=O)Cc2cnn(C)c2C)C1 1753378889 ZPANBSYZALJGBX-LBPRGKRZSA-N 319.409 -0.238 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1CN([C@@H](C)C(=O)NC2CC2)C1 1753403159 OLRSHAQSHMVQHB-RYUDHWBXSA-N 307.394 -0.260 30 20 DBED C#CCNC(=O)CN1CCO[C@@H](CNC(=O)/C=C(/C)CC)C1 1753650761 ZBNQXLICUHPADP-XXYUJHKVSA-N 307.394 -0.091 30 20 DBED C=CCNC(=O)CNC[C@@H]1[C@H](C)CCCN1C(=O)c1cnn[nH]1 1753807527 NUYHZXGVBHPXOZ-DGCLKSJQSA-N 320.397 -0.063 30 20 DBED C=CCN1CC[C@@H](NC[C@@H](O)CNC(=O)c2ncoc2C)C1=O 1753907022 INNZPZDPKDTHNE-VXGBXAGGSA-N 322.365 -0.550 30 20 DBED CC#CCNC[C@@H](O)CNC(=O)[C@H](C)NC(=O)c1ccco1 1753937907 RUPSDRKDJJSVPT-NWDGAFQWSA-N 307.350 -0.512 30 20 DBED C=C(Cl)CNC/C=C/CNC(=O)[C@@H]1CCS(=O)(=O)N1 1754206325 HUIGGPBLZZBZHP-PBKGFPTLSA-N 307.803 -0.307 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@@H](C)NC(=O)CCc1ccn(C)n1 1754227652 JJVNQIHUCISOBU-OLZOCXBDSA-N 319.409 -0.415 30 20 DBED C#CCNC(=O)CNC[C@H](C)NC(=O)COc1ccsc1 1754291190 ZKKGWEXTIKYWRS-NSHDSACASA-N 309.391 -0.029 30 20 DBED C#CCCN1CCC[C@](CO)(NC(=O)CCc2nc[nH]n2)C1 1754853848 IGQPEYBKAHECOP-HNNXBMFYSA-N 305.382 -0.296 30 20 DBED C=CCNC(=O)[C@@H](C)NC[C@@H]1CN(C(=O)c2ccon2)CCO1 1754994462 JFJDWAHDERSNKG-VXGBXAGGSA-N 322.365 -0.204 30 20 DBED C#CCN(C)C[C@H]1CCCN1C(=O)CCn1ncn(C)c1=O 1755195910 AGKCWRHNIRFJCX-CYBMUJFWSA-N 305.382 -0.472 30 20 DBED C#CCCN[C@H](CO)CNC(=O)[C@]1(C)CCCS1(=O)=O 1755641757 IDFIMVGEQDIAFB-AAEUAGOBSA-N 302.396 -0.956 30 20 DBED C#CCN(CCNC(=O)[C@H]1CCCN(C(N)=O)C1)CCOC 1755839187 JMBMRQUUNAVQIU-ZDUSSCGKSA-N 310.398 -0.525 30 20 DBED C#CCCCC(=O)NCC1[C@@H]2CN(C(=O)c3nnn(C)n3)C[C@@H]12 1756198710 GCFAZPSQVOPLCF-RYUDHWBXSA-N 316.365 -0.552 30 20 DBED CC(C)C#CC(=O)NCC[C@@H](NC(=O)Cn1cnnn1)C(C)C 1756388631 QKEURLJAXNHOKV-CYBMUJFWSA-N 320.397 -0.020 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CN(C)C(=O)Cc1cnc[nH]1 1756501641 XBXDWQREQBVZTH-NSHDSACASA-N 319.365 -0.945 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](CO)NC(=O)Cn1cccn1 1756549826 HIZLQCDTLJCDNE-UPJWGTAASA-N 322.365 -0.933 30 20 DBED COc1nc(C(=O)N2C[C@H](O)[C@H](NC(=O)C#CC3CC3)C2)co1 1757171866 LIBXKJTUKZCFFO-PWSUYJOCSA-N 319.317 -0.602 30 20 DBED C=C(C)CCC(=O)N1CC[C@@H](NC(=O)Cn2cnnn2)[C@H](O)C1 1757559302 KYOVLAASCLREAU-VXGBXAGGSA-N 322.369 -0.893 30 20 DBED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(OC)OC)C2 1781689216 SJLHFZWZYOCTBC-MLGOLLRUSA-N 324.377 -0.248 30 20 DBED C/C=C(\C)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783566701 ZGKKOSIHLSJEHH-ATYMOSHASA-N 320.345 -0.130 30 20 DBED N#CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccnnc1 1794669753 QCJKASZGTIRANX-DABQJJPHSA-N 315.333 -0.407 30 20 DBED C#CC(=O)N1CC2(CCCN2C(=O)c2nc(C)c(C)[nH]c2=O)C1 1842183765 SUQHCXGWLNBVHE-UHFFFAOYSA-N 314.345 -0.163 30 20 DBED CC(C)[C@H](O)C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846194635 ZMLQOXNMVVUSIA-ZDUSSCGKSA-N 308.334 -0.705 30 20 DBED C=CCCOCCNC(=O)CN(C)[C@H]1CCS(=O)(=O)C1 129625666 SKYOSJDTJCDBDZ-LBPRGKRZSA-N 304.412 -0.186 30 20 DBED CCNC(=O)NC(=O)[C@H](C)N(C)CCCc1n[nH]c(N)c1C#N 153264351 APMKVAPFLNFCBG-VIFPVBQESA-N 321.385 -0.038 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCN(c2cc(C)nn2C)C1=O 153962311 UAUVKZGGZFYWLX-GFCCVEGCSA-N 304.350 -0.010 30 20 DBED COC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(C#N)cc1 157085505 CIYQMSPLOYKKEV-PWSUYJOCSA-N 310.331 -0.145 30 20 DBED N/C(=N/OCC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccsc1 198444030 IRVIYGOYHQAXGV-VIFPVBQESA-N 317.392 -0.312 30 20 DBED C#CC[C@H](NS(=O)(=O)N1CCC2(CC1)OCCO2)C(=O)O 274919624 AOUCACPIQNESPK-JTQLQIEISA-N 318.351 -0.864 30 20 DBED Cn1cc(C[C@H](NS(=O)(=O)CCCC#N)C(=O)O)cn1 275164989 BBSZAPJSOQRAAY-JTQLQIEISA-N 300.340 -0.361 30 20 DBED C#CCN1CCC(C(=O)N2CCC[C@@H](O)[C@H]2C(=O)OC)CC1 275514782 IOYSUDUPXUEQGJ-KGLIPLIRSA-N 308.378 -0.144 30 20 DBED C=CC[C@H](CO)NC(=O)/C(=N/OCC(=O)OCC)c1cc[nH]n1 278853784 WSZRKJRMFALQTG-BPLQLKKBSA-N 324.337 -0.253 30 20 DBED N#Cc1ccc(NC(=O)C(=O)N(CCO)CCCO)cc1F 290954061 BLZLQQMNIPEBCW-UHFFFAOYSA-N 309.297 -0.161 30 20 DBED C#CCN(C)CCCNC(=O)C(F)(F)C(=O)N1CCOCC1 296628281 QXCAIVMXCHPVPC-UHFFFAOYSA-N 317.336 -0.448 30 20 DBED O=C1C[C@@H](/C(O)=N/[C@@H]2[C@H]3COC[C@H]32)CN1CCN1CCOCC1 330079285 FWKRMWQLUVQJKC-CXTNEJHOSA-N 323.393 -0.232 30 20 DBED CCNC(=O)CN1CCN(/C(O)=N/Cc2c[nH]nc2C)CC1 330419563 YSXPXHQPFCOFGA-UHFFFAOYSA-N 308.386 -0.114 30 20 DBED C[C@@H](C(=O)N(C)CCC#N)N1CCO[C@H](Cn2cncn2)C1 330650255 JFPXLJZSAUZADX-STQMWFEESA-N 306.370 -0.261 30 20 DBED CC/N=C(/O)NC(=O)CN1CCC[C@H]1CS(=O)(=O)NC 331195856 YBJMMGSONFIEKZ-VIFPVBQESA-N 306.388 -0.950 30 20 DBED Cc1ccc(C(=O)N2CC(CO)C2)cc1S(=O)(=O)NCC#N 332039002 XLJHMBRQPFDFTF-UHFFFAOYSA-N 323.374 -0.139 30 20 DBED CN(CCN(C)S(=O)(=O)N1CCO[C@@H](C#N)C1)C1CC1 336930607 BAAXWIZPQDDTMY-LBPRGKRZSA-N 302.400 -0.518 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1CCC[C@H]1CCO 337185488 OHPHHTDRYRKFSE-LBPRGKRZSA-N 305.400 -0.060 30 20 DBED CN(C(=O)CNC(=O)c1ccc(C#N)cc1)[C@@H]1COC[C@@H]1O 342438467 OFLBXHMVGKOGEV-OLZOCXBDSA-N 303.318 -0.494 30 20 DBED C[C@@H](NC(N)=O)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 342981359 BXEBPWRLSDEWSC-NXEZZACHSA-N 317.353 -0.558 30 20 DBED Cc1cc(NC(=O)C(=O)NCCN2CCCC2)nn1CCC#N 348796355 GXKVHWDCLAWLNU-UHFFFAOYSA-N 318.381 0.256 30 20 DBED C[C@@H]1CC[C@@H](NS(=O)(=O)CCCS(=O)(=O)NCC#N)C1 349596288 XIUMSXYHWFIFMN-GHMZBOCLSA-N 323.440 -0.073 30 20 DBED C=C[C@@H](CO)NC(=O)Nc1cccc(C(=O)NCC(=O)NC)c1 350865086 JPRUKNQPKBRNRS-NSHDSACASA-N 320.349 -0.169 30 20 DBED CC#CCNC(=O)CNS(=O)(=O)c1c[nH]c2ncccc12 354379169 GKWNUZBWKYXHAA-UHFFFAOYSA-N 306.347 -0.019 30 20 DBED N#Cc1ncn(CCNC(=O)CNC(=O)Cc2ccccc2)n1 356295391 OWYXTNNHHVJAED-UHFFFAOYSA-N 312.333 -0.375 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cccn(C)c2=O)C1=O 357606737 BADNLHQLXYCHCV-UHFFFAOYSA-N 318.289 -0.699 30 20 DBED CCOCCN(C)C(=O)C(=O)Nc1cc(C)n(CCC#N)n1 357782276 DHVSHHMAQKQDFF-UHFFFAOYSA-N 307.354 0.539 30 20 DBED CCOC(=O)[C@](C)(O)CNC(=O)CNc1ccc(C#N)cn1 358381400 JLJKXLOSJUFQEO-CQSZACIVSA-N 306.322 -0.205 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N[C@H]1CCCS(=O)(=O)C1 407978123 WSAOBWLVKKRBMF-ZJUUUORDSA-N 309.413 -0.368 30 20 DBED CCS(=O)(=O)N1CCC[C@@H](C(=O)N2CCOC[C@H]2C#N)C1 408246441 MCHSSWBPIHOXPR-VXGBXAGGSA-N 315.395 -0.201 30 20 DBED CN1C(=O)CC[C@@H](N[C@@H](C(N)=O)c2ccc(C#N)cc2)C1=O 424131373 UYEIQNYGAZTFFU-DGCLKSJQSA-N 300.318 -0.178 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)NCCN1C[C@@H]2CC[C@H](C1)O2 451883277 BBVWIPMUCMKWSV-UPJWGTAASA-N 316.427 -0.082 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)Nc1ccn(CCOC)n1 490721046 VOZXPXFWYJNVQQ-UHFFFAOYSA-N 302.334 -0.047 30 20 DBED C#CCN1CCC[C@H]1COC(=O)C(C)(C)NS(C)(=O)=O 490899346 OLNRWJYVJVREJY-NSHDSACASA-N 302.396 -0.045 30 20 DBED C#CCN(C)C(=O)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 491123143 ZVZHFNOWAGZTAW-UHFFFAOYSA-N 323.374 -0.033 30 20 DBED C#CCN(C(=O)c1nc(N)nc(N2CCOCC2)n1)C1CC1 491696257 PNMMBGOVVLYRFH-UHFFFAOYSA-N 302.338 -0.472 30 20 DBED Cc1cc(NC(=O)Cn2ccc(=O)n(C)c2=O)n(CCC#N)n1 521010842 LOYXPGYVTSKIGZ-UHFFFAOYSA-N 316.321 -0.396 30 20 DBED N#CCNC(=O)CNC(=O)[C@]1(c2ccccc2)CNC(=O)C1 581951521 FDJCJCLCBILTSS-HNNXBMFYSA-N 300.318 -0.800 30 20 DBED CSCC[C@H](NS(=O)(=O)N(C)[C@@H](C)CC#N)C(N)=O 599405377 QZBJDWGHZZOZRL-IUCAKERBSA-N 308.429 -0.338 30 20 DBED Cn1cc(N2C[C@@H](C(=O)N3CCOC[C@@H]3C#N)CC2=O)cn1 599594187 LNNFZIVRJDVNOH-QWRGUYRKSA-N 303.322 -0.476 30 20 DBED C[C@@H]1CN(C(=O)C(=O)N2CCN(CCC#N)CC2)[C@H](C)CN1 601581523 IAWJULHLBVJIAQ-CHWSQXEVSA-N 307.398 -0.747 30 20 DBED C#CCNC(=O)CN1CCN(CCCN2CCOC2=O)CC1 728571754 MFJITMJIWAGSMP-UHFFFAOYSA-N 308.382 -0.804 30 20 DBED C#CCOCCNC(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 784388328 IZXWLUIIKQPNHL-NSHDSACASA-N 303.384 -0.783 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)[C@](C)(O)Cn1ccc(C)cc1=O 790694371 XCOXDZKEMFYRSN-BLLLJJGKSA-N 320.345 -0.411 30 20 DBED C#CCC[C@H](O)CNS(=O)(=O)N1CCC[C@H]1C(=O)OCC 798486620 SMBHVONDEGUNIG-RYUDHWBXSA-N 318.395 -0.377 30 20 DBED C=C[C@@](C)(O)C(=O)N1CCN(S(=O)(=O)N(CC)CC)CC1 820103568 ARAFJVHBTJHZCO-CYBMUJFWSA-N 319.427 -0.346 30 20 DBED C=C[C@@H](O)C(=O)N1CCN(S(=O)(=O)N(CC)CC)CC1 820110082 PFJITVVTNCMADR-LLVKDONJSA-N 305.400 -0.736 30 20 DBED C=C[C@H](O)C(=O)NC[C@H](NC(=O)[C@H](O)C=C)c1ccc(C)o1 831244009 VADROAVMKYUNRE-SDDRHHMPSA-N 308.334 -0.045 30 20 DBED C#CC[C@H](NS(=O)(=O)N(CC)C[C@H](C)C#N)C(=O)OC 841540761 QRNDBSWNNWUHEQ-MNOVXSKESA-N 301.368 -0.133 30 20 DBED C[C@@](C#N)(NC(=O)COC(=O)CN1CCCNC1=O)C1CC1 915435508 PNIVJXOOOWNZNZ-AWEZNQCLSA-N 308.338 -0.247 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)c3nc[nH]n3)C2)cn1 942160900 BHFLJZOKCYCMLW-GFCCVEGCSA-N 310.317 -0.175 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)Cn1cnnc1O)CCO2 949075828 NGXLWNREHPRRFE-UHFFFAOYSA-N 319.365 -0.690 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN(Cc2nnn(C)n2)CC1 951710156 FWIUQSHQSKRSFA-JSGCOSHPSA-N 320.397 -0.165 30 20 DBED C#CCCN1C[C@H](CNC(=O)c2cn(CC3CC3)nn2)[C@@H](O)C1 958527254 XOARDUGGKHJYMR-ZFWWWQNUSA-N 317.393 -0.266 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1nc[nH]n1 960756299 AXHLJZIXXAVKJQ-KXUCPTDWSA-N 304.310 -0.984 30 20 DBED Cc1[nH]nc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)c1C 961964763 VUWBKPCPILXCPO-XROYCOCOSA-N 305.338 -0.512 30 20 DBED C=CCN1C[C@H]2[C@H](NC(=O)c3nc(O)nc(O)c3OC)[C@H]2C1 962280199 LRVCTTMFXAGWTI-BRPSZJMVSA-N 306.322 -0.258 30 20 DBED CC(C)(O)CC(=O)N1C[C@H](O)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 962388131 PFVBUQJVRBCZFP-NEPJUHHUSA-N 320.349 -0.651 30 20 DBED CCN(C(=O)c1cnn[nH]1)C1CN(C(=O)c2c[nH]c(C#N)c2)C1 968124594 DOGYUVGBDURAOA-UHFFFAOYSA-N 313.321 -0.009 30 20 DBED C[C@@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)[C@H]1CCNC(=O)C1)C2 969805707 KSXZQUQRIDWLGI-CYDGBPFRSA-N 318.377 -0.126 30 20 DBED C[C@@H](NC(=O)c1ccc(S(N)(=O)=O)o1)C1CN(CC#N)C1 970047448 KKOTZHMQEGTKSZ-MRVPVSSYSA-N 312.351 -0.499 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@H]1CN2CC(=O)N1CCOCC1 971195353 RAWNLJDBSOVWNI-MJBXVCDLSA-N 320.393 -0.320 30 20 DBED C=CCn1cc(C(=O)N2CC[C@@H](N(C)[C@@H](C)C(N)=O)C2)nn1 972501670 QCCIHFBJMHBXJJ-WDEREUQCSA-N 306.370 -0.516 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)[C@@H]3CCN(C)C3=O)C2)C1 972505971 HFBVAEOAFGDJGJ-CZUORRHYSA-N 305.378 -0.599 30 20 DBED C=CCCN1C[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C(C)(C)C1 974600351 PTGZOZVVFXKKDS-LLVKDONJSA-N 320.397 -0.220 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2[C@H](NC(=O)C(N)=O)[C@H]2C1 977095454 RORMBWXFUVOFPO-HGCLJGPKSA-N 307.350 -0.974 30 20 DBED N#CCN1CCCC2(C1)CN(C(=O)c1nccnc1C(N)=O)C2 982141490 GIKLKZMXVMQLLY-UHFFFAOYSA-N 314.349 -0.363 30 20 DBED C#CCN[C@@H]1CCN(C(=O)Cn2ncn3nccc3c2=O)[C@@H]1C 987114299 WNJUEBKUUBIVGX-VXGBXAGGSA-N 314.349 -0.897 30 20 DBED C[C@H]1C[C@@H](NCCN2C(=O)CNC2=O)CN1C(=O)C#CC1CC1 988812334 MLPZHYSPOVHOKR-WCQYABFASA-N 318.377 -0.469 30 20 DBED C#CCN[C@@H]1C[C@H](C)N(C(=O)Cn2nc3n(c2=O)CCCC3)C1 989650025 KDLMWXPPNRGANP-QWHCGFSZSA-N 317.393 -0.407 30 20 DBED CN1CCO[C@H](C(=O)N2CC(NC(=O)c3ccc(C#N)[nH]3)C2)C1 990890630 SVEJDVHRDIQKSW-ZDUSSCGKSA-N 317.349 -0.842 30 20 DBED N#Cc1cc(C(=O)NC2CN(C(=O)CN3CCOCC3)C2)c[nH]1 990928076 IIZDXVZEGQGCBW-UHFFFAOYSA-N 317.349 -0.841 30 20 DBED N#CCN[C@@H]1CCC[C@H]2CN(C(=O)CCn3cnnn3)C[C@H]21 992875200 MNPUWZJRCLNWJV-YNEHKIRRSA-N 303.370 -0.197 30 20 DBED CC(C)N1CCO[C@H](C(=O)NC2CN(C(=O)C#CC3CC3)C2)C1 998130960 CKRSPBHGZSJROV-HNNXBMFYSA-N 319.405 -0.164 30 20 DBED CC(=O)N1CCC[C@@H](C(=O)NCC2CN(C(=O)[C@H](C)C#N)C2)C1 1003183914 YNLCCODUPLQECE-BXUZGUMPSA-N 320.393 -0.021 30 20 DBED C#Cc1cncc(C(=O)NCC2CN(C(=O)c3cn(C)nn3)C2)c1 1004198947 LYOQZNPMIARNGX-UHFFFAOYSA-N 324.344 -0.307 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@H]1CN2C(=O)Cn1nccn1 1007338822 NBQSPOPUTWPLRC-TUAOUCFPSA-N 302.338 -0.360 30 20 DBED C=CCn1cc(C(=O)N2CCO[C@]3(CCN(C(C)=O)C3)C2)nn1 1007553041 MMEVUJIELIEFBO-HNNXBMFYSA-N 319.365 -0.073 30 20 DBED CC#CCN1CC[C@@H](NC(=O)Cc2ccc(C(N)=O)nc2)C1 1014942461 UHOQWJJGAZAUNH-CYBMUJFWSA-N 300.362 -0.063 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCN([C@@H]3CCN(C)C3=O)C2)nn1 1015810862 STDLLRRWMORKGA-DGCLKSJQSA-N 318.381 -0.501 30 20 DBED N#CCN[C@H]1C[C@H](NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 1020420352 SUHPGFJHMLMLDN-TUVASFSCSA-N 322.409 -0.373 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CCN(C(=O)Cn3nccn3)[C@@H]2C1 1021766222 CGTZFDFNCMVLEI-GRYCIOLGSA-N 302.338 -0.503 30 20 DBED N#Cc1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCCO3)C2)[nH]1 1022991456 HZGGBLQQWCMBTO-UPJWGTAASA-N 318.333 -0.633 30 20 DBED C=CCN1CC[C@H](NC[C@H]2CCCCN2C(=O)CC(N)=O)C1=O 1024906774 UPARBTKBBKJCBO-OLZOCXBDSA-N 322.409 -0.381 30 20 DBED C#CCCN1CC[C@@H](CNC(=O)C2CC3(C2)NC(=O)NC3=O)C1 1028863874 FVWGOJXYCQOGEB-FZWSLVFFSA-N 318.377 -0.564 30 20 DBED C#Cc1cncc(C(=O)NCC2CN([C@@H](CC)C(N)=O)C2)c1 1031963931 YYLZEQOEIUIOJS-AWEZNQCLSA-N 300.362 -0.012 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1CNCc1nnn(C)n1 1035055725 AUXXFBNBPHQBQY-UPJWGTAASA-N 320.397 -0.118 30 20 DBED C#CCCN1CCO[C@H](CNC(=O)[C@@H]2CCCCN2C(N)=O)C1 1035570831 CYAZUKWSCWXPFW-KGLIPLIRSA-N 322.409 -0.240 30 20 DBED C#CCN1CC2(CCN(C(=O)CN3CC(=O)NC3=O)CC2)C1 1035823068 CNESSJAMNLKEBX-UHFFFAOYSA-N 304.350 -0.904 30 20 DBED C#CCN1CCC(C(=O)N[C@H]2[C@H]3C[C@H]2N(CCCO)C3)CC1 1037732306 BPRRIKQRRVSNRM-XHSDSOJGSA-N 305.422 -0.097 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)c2csnn2)C1 1040373626 CRCHZNWIUWKZOC-PRHODGIISA-N 309.351 -0.609 30 20 DBED Cc1cc(CC(=O)N2CC[C@](O)(CNC(=O)[C@H](C)C#N)C2)no1 1040763446 OSSMBEOYHWCJQB-BMIGLBTASA-N 320.349 -0.235 30 20 DBED C[C@H]1C[C@H]1CC(=O)N1CC(O)(CNC(=O)CSCC#N)C1 1041571414 YMBBWJFYZYZXBP-QWRGUYRKSA-N 311.407 -0.021 30 20 DBED C#CCCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2COCCO2)C1 1041594741 QCHHLNZDTAYGHO-ZDUSSCGKSA-N 324.377 -0.715 30 20 DBED Cn1cnc(C(=O)N2CC[C@@H]3CCN(CC#N)[C@H]3C2)cc1=O 1042099647 GUHROHWRFJTRHL-AAEUAGOBSA-N 301.350 -0.160 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)c2ccc(C#N)[nH]2)C1 1042608859 LOJCRFYGVGCGNI-UHFFFAOYSA-N 314.345 -0.007 30 20 DBED CN(C(=O)c1c[nH]c(C#N)c1)C1CN(CCN2CCNC2=O)C1 1042638402 IIOQHHAEWAMLLM-UHFFFAOYSA-N 316.365 -0.332 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(O)CN(C(=O)[C@H](C)COC)C1 1042806877 MAWLNHQXMOCSJP-BXUZGUMPSA-N 314.382 -0.715 30 20 DBED O=C(C#CC1CC1)NCC1(O)CN(C(=O)C[C@H]2CCCOC2)C1 1042963498 NZUWRQWFLGQTFH-CQSZACIVSA-N 320.389 -0.094 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)[C@H]2C[C@H](C)CO2)C1 1043033336 XHLNCVLFKOZHDR-QWHCGFSZSA-N 324.377 -0.859 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)C#CC(C)(C)C)C1 1043039590 HZLCJYKNTZNNGG-CYBMUJFWSA-N 320.389 -0.236 30 20 DBED C[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1Nc1nccnc1C#N 1043472228 HJZYIJHIHKNIDK-MWLCHTKSSA-N 314.349 -0.127 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)COCCC=C)C1 1043567775 GNZODQRZFNCMKI-CYBMUJFWSA-N 324.377 -0.693 30 20 DBED N#Cc1cncc(N2C[C@H](O)[C@H](NC(=O)C[C@H]3CCCO3)C2)n1 1043853456 HSNWUYNSOCXCSK-UPJWGTAASA-N 317.349 -0.417 30 20 DBED N#Cc1nccc(N2C[C@H](O)[C@H](NC(=O)c3n[nH]cc3F)C2)n1 1044493795 CWRIPZLYXIECPA-BDAKNGLRSA-N 317.284 -0.810 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)c2conc2C)C1 1045536044 WAJMDSXKYPHGAS-UHFFFAOYSA-N 321.333 -0.674 30 20 DBED C#CCN1CC[C@H](N2CCN(C(=O)[C@H]3CCCC(=O)N3)CC2)C1 1046036835 GYQOYFWEPHKYSY-LSDHHAIUSA-N 318.421 -0.493 30 20 DBED C=C(C)CN1CC[C@@H](N2CCN(C(=O)c3nnn(C)n3)CC2)C1 1046055355 PBQWMJZFNKPCSQ-CYBMUJFWSA-N 319.413 -0.382 30 20 DBED Cn1cnc(C(=O)NC[C@H]2C[C@H](N=c3cc[nH]c(C#N)n3)C2)n1 1046793562 NWMSDSWSGDEIRF-MGCOHNPYSA-N 312.337 -0.481 30 20 DBED CN(C(=O)[C@H]1CCCn2nccc21)[C@H]1CN(CC#N)C[C@@H]1O 1047432618 CABYVIWJRMUOPT-UBHSHLNASA-N 303.366 -0.212 30 20 DBED CC(C)C#CC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@@H]1O 1048811174 PLNXIUPONXIHRV-KKUMJFAQSA-N 321.421 -0.230 30 20 DBED CC#CCN1C[C@H]2CN(C(=O)Cn3nc(C)ccc3=O)C[C@H]2C1 1049183628 ZVIHJBVCNNVUAT-GASCZTMLSA-N 314.389 -0.035 30 20 DBED Cc1nn(CC(=O)N2CCC[C@H]3CN(CC#N)C[C@H]32)c(=O)n1C 1050192287 AKHPMLFNTXMMMG-QWHCGFSZSA-N 318.381 -0.663 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H]([C@H](C)NC(=O)C2CC2)C1 1050490314 IHIIZKPJQXLKBQ-AAEUAGOBSA-N 305.378 -0.111 30 20 DBED C=CCN1CCC2(CC1)CN(C(=O)CN1CCN(C)C(=O)C1)C2 1050577928 ZDBWYRMYVJBBLZ-UHFFFAOYSA-N 320.437 -0.129 30 20 DBED C[C@H](C(=O)N1CC[C@H](N2CCN(CC#N)CC2)C1)n1cncn1 1052017158 DROUQUDRXJIWDI-KGLIPLIRSA-N 317.397 -0.419 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC2(C1)CN([C@H](C)C(=O)NC1CC1)C2 1053187216 GZUKCBGRHNTMRG-NWDGAFQWSA-N 320.393 -0.274 30 20 DBED C=C(C)CN1CC2(C1)CN(C(=O)CN1CCOCC1)CCO2 1053226621 GAFSYXAFFHPULQ-UHFFFAOYSA-N 309.410 -0.192 30 20 DBED Cn1ccc(CCC(=O)N2CCOC3(CN(CC#N)C3)C2)n1 1053275460 CBNWBISRLNYSPW-UHFFFAOYSA-N 303.366 -0.211 30 20 DBED C=CCN1CC2(C1)CN(C(=O)[C@H]1CCC(=O)N(C)C1)CCO2 1053542289 BSAXKFKYKMHWEH-ZDUSSCGKSA-N 307.394 -0.046 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)[C@@H]1CCC(=O)N(C)C1)CCO2 1053542355 FUNJTFMCDCCTSO-CQSZACIVSA-N 319.405 -0.209 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1COC2(C1)CN(CC#N)C2 1053833028 SWJOHEHQEZTPJV-KBPBESRZSA-N 302.378 -0.433 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)c3ccc(C(N)=O)o3)CO2)C1 1053866027 PNPFWSVXVZDCCY-VIFPVBQESA-N 304.306 -0.525 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)[C@]3(C)CCN(C(C)=O)C3)CO2)C1 1053976480 GEWLBZOHRMVVBV-GOEBONIOSA-N 319.405 -0.162 30 20 DBED C=CCCC(=O)N[C@]1(CO)CCCN(C(=O)[C@H]2CCC(=O)N2)C1 1055822480 STXXFHZNSSVHLD-MLGOLLRUSA-N 323.393 -0.299 30 20 DBED CN(c1cncc(C#N)n1)[C@@H]1CCN(C(=O)Cn2nccn2)C1 1056974667 ZNLULYVQCCJFEH-GFCCVEGCSA-N 312.337 -0.323 30 20 DBED C#CCOCCC(=O)NCCN(CCO)C(=O)c1ocnc1C 1057281896 NOXDBGIJDLQRGA-UHFFFAOYSA-N 323.349 -0.426 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)[C@@H](C)OCC#C 1057445368 RPVGNRCKFSQCOV-CQSZACIVSA-N 308.378 -0.235 30 20 DBED Cc1nc[nH]c1CC(=O)NCCN(CCO)C(=O)C#CC(C)C 1057519326 QJZVEGNREWYGMX-UHFFFAOYSA-N 320.393 -0.143 30 20 DBED O=C(CCc1nc[nH]n1)NCCN(CCO)C(=O)C#CC1CC1 1057531036 CROLAAAPYBQIMB-UHFFFAOYSA-N 319.365 -0.912 30 20 DBED N#Cc1nccnc1N[C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 1059049264 INEMLOPURMBTDR-WPRPVWTQSA-N 301.310 -0.958 30 20 DBED N#Cc1cnc(N[C@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)C2)c(F)c1 1059049556 VBYPHFMPGMMURE-ONGXEEELSA-N 318.312 -0.213 30 20 DBED N#Cc1nccnc1N[C@H]1C[C@H](NC(=O)[C@H]2CCNC2=O)C1 1059364857 NDPGDDBPZNWYDV-GUBZILKMSA-N 300.322 -0.457 30 20 DBED Cn1ccc(=O)c(C(=O)N[C@H]2C[C@@H](N=c3cc[nH]c(C#N)n3)C2)c1 1059884417 QPBQPCNYMCJXQH-PHIMTYICSA-N 324.344 -0.158 30 20 DBED N#Cc1cnc(NC[C@@H]2CCN(C(=O)[C@@H]3CCC(=O)N3)C2)cn1 1060900472 XAFQXOZKGPXEFM-JQWIXIFHSA-N 314.349 -0.113 30 20 DBED Cc1cc(C#N)nc(N[C@H]2CCC[C@H](NC(=O)C(N)=O)C2)n1 1061125174 OJHKXBRZYFOSIQ-UWVGGRQHSA-N 302.338 -0.019 30 20 DBED C=CCCC(=O)NC[C@@H]1COCCN1C(=O)[C@H]1CCC(=O)N1C 1061401177 CSHZYTZDGPKDTQ-CHWSQXEVSA-N 323.393 -0.083 30 20 DBED Cn1nnc(C(=O)NC[C@@H]2CCCN2c2ccc(C#N)nn2)n1 1061428413 PXLPXDWMCKIZSQ-JTQLQIEISA-N 313.325 -0.729 30 20 DBED Cn1nnc(C(=O)NC[C@H]2CCCN2c2ccncc2C#N)n1 1061428992 TXDYANDPEGXTLR-LLVKDONJSA-N 312.337 -0.124 30 20 DBED C#CCCCCC(=O)NC[C@@H]1COCCN1C(=O)c1nc[nH]n1 1061518743 BALVXHKVVRYGOU-GFCCVEGCSA-N 319.365 -0.045 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)c1csnn1 1061853437 STMABRGUMQWSDS-DTWKUNHWSA-N 309.351 -0.345 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CCCCN1C(=O)CN1CCOCC1 1062135973 CNPJZOWRLOIKBV-ZIAGYGMSSA-N 322.409 -0.024 30 20 DBED C#CCC1(C(=O)NCC2(NC(=O)C(N)=O)CCC2)CCOCC1 1063283502 QBORPRISRWIYDZ-UHFFFAOYSA-N 321.377 -0.553 30 20 DBED C#CCO[C@H](C)C(=O)NC1(CNC(=O)[C@H]2CCNC2=O)CCC1 1063910761 ZXWPDDUYRDEBJP-NEPJUHHUSA-N 321.377 -0.684 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)Cn2cnnc2O)CCC1 1064302911 WHQKACGRPXCVEY-VIFPVBQESA-N 306.326 -0.702 30 20 DBED Cc1nn[nH]c1C(=O)N[C@H]1[C@H]2C[C@H]1N(c1nccnc1C#N)C2 1064324882 PJCSBTNLFXTANB-XRNSZHNASA-N 310.321 -0.218 30 20 DBED CNC(=O)CC(=O)NC[C@@H]1CN(C(=O)C#CC(C)C)CCO1 1065129440 QNQMTALFWHWBQQ-GFCCVEGCSA-N 309.366 -0.875 30 20 DBED C=CCO[C@H](C)C(=O)N1CCO[C@H](CNC(=O)c2cc[nH]n2)C1 1065277669 AJCQYAHOUSKOER-VXGBXAGGSA-N 322.365 -0.042 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CCCN(C(=O)C2(C(N)=O)CC2)CC1 1066477996 FMOKARQYYXWYQF-WDEREUQCSA-N 306.366 -0.091 30 20 DBED N#Cc1cccnc1N1C[C@@H](O)[C@@H](CNC(=O)c2ccnnc2)C1 1067694100 UMPXIXJLAWCTTA-UONOGXRCSA-N 324.344 -0.030 30 20 DBED CC#CCCCC(=O)N1CC2(C[C@@H](NC(=O)CC(N)=O)CO2)C1 1068782945 SPQBHFWOLDMDGX-GFCCVEGCSA-N 321.377 -0.459 30 20 DBED CN1CCOC[C@@H]1C(=O)N1C[C@@H]2C[C@@H]3CN(CC#N)C[C@]2(C1)O3 1070789509 ASNRXCAEEMXZGI-DSJMHWKBSA-N 320.393 -0.858 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)[C@H]4C[C@H]4C(N)=O)C[C@@]3(C1)O2 1070855569 PVLCDGNAXIOKEI-ZRTFPUAOSA-N 303.362 -0.957 30 20 DBED C=CCCN1CCNC(=O)CCN(C(=O)[C@H]2CCNC2=O)CC1 1070985279 JUUBQFJOEYAFHU-ZDUSSCGKSA-N 322.409 -0.651 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)[C@]2(F)CCOC2)CC1 1070991428 RJIQBVNDOHKJEO-HNNXBMFYSA-N 313.373 -0.049 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)c2nc(C)c[nH]2)CC1 1071007665 UIMKHOHGIVAPOL-UHFFFAOYSA-N 303.366 -0.385 30 20 DBED C=CCOCC(=O)N1C[C@H](C)[C@H](NC(=O)Cc2n[nH]c(C)n2)C1 1071808643 JTXNHXLOSNVRKF-CMPLNLGQSA-N 321.381 -0.179 30 20 DBED CC(C)C#CC(=O)N1C[C@H](C)[C@H](NC(=O)C2(NC(N)=O)CC2)C1 1072035856 QPIQMTRMZYBVJK-NWDGAFQWSA-N 320.393 -0.190 30 20 DBED C#CCCN1CCC2(C1)CN(C(=O)c1ccc(=O)n(C)n1)C2 1073409005 UFLHDTZHRPZMLQ-UHFFFAOYSA-N 300.362 -0.049 30 20 DBED CC#CCCCC(=O)N1CCN(C2CN(C(=O)C(N)=O)C2)CC1 1073590306 CIGAUHBSAAWXQM-UHFFFAOYSA-N 320.393 -0.980 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(C(=O)c2cn(C)nn2)C[C@@H]1C 1073819309 CGGCWLKINCWLCY-RYUDHWBXSA-N 321.381 -0.016 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)[C@H]2CCC(=O)N(C)C2)C1 1073901698 BVYNIWWLNGIXKP-UONOGXRCSA-N 307.394 -0.305 30 20 DBED CN(C)C(=O)CN1CCO[C@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21 1074235436 GKIKTYBEYIYCKR-GJZGRUSLSA-N 319.405 -0.210 30 20 DBED C=CCN1CCO[C@H]2CCN(C(=O)CN3CCOCC3=O)C[C@H]21 1074265829 BAMLKKOJUHLJCH-KGLIPLIRSA-N 323.393 -0.667 30 20 DBED C[C@@H]1C[C@@H](NC(=O)CCNC(N)=O)CCN1C(=O)C#CC1CC1 1074985515 AQUUQBGEPVRXQT-YPMHNXCESA-N 320.393 -0.046 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)C[C@H]1CCCO1 1075726836 MHDDGDLEKBMNFM-QWHCGFSZSA-N 323.393 -0.294 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H](C)CCNC(=O)C1CN(C(C)=O)C1 1076285988 MLCHHALIHFRBJQ-RYUDHWBXSA-N 323.393 -0.486 30 20 DBED C#CCO[C@H](C)C(=O)NCC[C@H](C)NC(=O)CCCC(N)=O 1076512472 ZFJKKIPOOSUYDI-NWDGAFQWSA-N 311.382 -0.309 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1 1077231378 OFQODOWQYZTIKU-KYXWUPHJSA-N 323.271 -0.982 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCS(=O)(=O)C2)C1 1077330601 OULBTAMIHWUQMF-JHJVBQTASA-N 316.423 -0.451 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1 1077833378 IGQBIFZBVLMCOO-VXGBXAGGSA-N 309.366 -0.833 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)c2ccc3oc(O)nc3n2)C1 1077998497 ZGYMOFMZPZXAIP-GHMZBOCLSA-N 316.317 -0.273 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1c2ccccc2CCN1C(=O)C(N)=O 1079129298 QXNOSSBJXKNXGO-GXFFZTMASA-N 314.345 -0.126 30 20 DBED C#CCCCCC(=O)N1CC(N(CC)C(=O)[C@H]2CNC(=O)N2)C1 1080385218 KSZZVNHUZNIXLR-CYBMUJFWSA-N 320.393 -0.079 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cn[nH]c2)C1 1081295925 XABCRVHPVDQDOQ-OLZOCXBDSA-N 304.350 -0.382 30 20 DBED C=CCCOCC(=O)NC[C@H]1CN(C(=O)c2cc[nH]n2)C[C@H]1O 1081566293 FDTGQPOKRMQPJC-WCQYABFASA-N 322.365 -0.449 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2cncn2C)C1 1081582699 LBFJDLOGCZEHBV-DGCLKSJQSA-N 306.366 -0.065 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H]2CN(Cc3nc(O)n[nH]3)C[C@@H]21 1083026850 PLZMMOJCIJGTPO-LPEHRKFASA-N 306.326 -0.918 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cnc2n1CCOC2 1083110889 ZKINQUVLFUATNK-UONOGXRCSA-N 316.361 -0.428 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)c2ccc(C(=O)NC)nc2)C1 1083963744 DPVWHUBWPVBTSZ-OLZOCXBDSA-N 304.350 -0.598 30 20 DBED C=C(C)CN[C@@H]1CCCC[C@H]1NC(=O)Cn1cnc(C(N)=O)n1 1085203100 OSVCBZNAWYDNGM-VXGBXAGGSA-N 320.397 -0.030 30 20 DBED C#CCN[C@@H]1CCCCCN(C(=O)CN2CC(=O)NC2=O)C1 1088400127 DXFHHWHZOQKFSD-GFCCVEGCSA-N 306.366 -0.468 30 20 DBED CCN(c1cncc(C#N)n1)[C@H](C)CNC(=O)Cn1nccn1 1089697337 PDWCCHGPZGOIKN-LLVKDONJSA-N 314.353 -0.029 30 20 DBED CCOc1cc(N2C[C@@H](O)[C@H](NC(=O)C#CC3CC3)C2)ncn1 1090413308 ORCSERGPWYHDMN-CHWSQXEVSA-N 316.361 -0.046 30 20 DBED C=CCN1CC[C@H](NC(=O)c2nc3nccc(C)n3n2)[C@H](O)C1 1090773377 FJCAIXLJHFEKOK-NWDGAFQWSA-N 316.365 -0.216 30 20 DBED CCOCC(=O)N[C@H]1CCN(c2ccc(C#N)nn2)C[C@H]1O 1092129586 RPYVBECZMTXCPJ-NWDGAFQWSA-N 305.338 -0.559 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)Cn3cccn3)c3nccn32)C1 1092351020 YOMSFGRTNCYJCQ-CYBMUJFWSA-N 310.361 -0.015 30 20 DBED COC(=O)NCC(=O)N[C@H]1[C@@H]2CN(c3ccc(C#N)cn3)C[C@@H]21 1093240296 UCVIWPNKKXBJMF-YABSGUDNSA-N 315.333 -0.140 30 20 DBED Cc1ccc(=O)n(CC(=O)NCCNc2cncc(C#N)n2)n1 1093770991 RQXNGXYUONYMMO-UHFFFAOYSA-N 313.321 -0.558 30 20 DBED N#Cc1cnc(NCCNC(=O)c2nc3ncccn3n2)cn1 1093814751 AFYZIKBYXGRUCL-UHFFFAOYSA-N 309.293 -0.372 30 20 DBED N#Cc1nc(=NCCNC(=O)[C@@H]2CCCN(C(N)=O)C2)cc[nH]1 1093993007 YCMDEYOWUYHAOW-SNVBAGLBSA-N 317.353 -0.911 30 20 DBED CC#CCN1CC(n2cc(CNC(=O)c3cnsn3)nn2)C1 1094277414 IHOWMUVVJPLBGM-UHFFFAOYSA-N 317.378 -0.060 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)[C@H]3OCC[C@H]3C)CC2=O)C1 1094787527 YANHDGFKPWGJJD-XUJVJEKNSA-N 305.378 -0.554 30 20 DBED C#CCN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cn(C)c(=O)cn1)C2 1094965502 KFPRHOANVMDOBU-AVGNSLFASA-N 300.362 -0.004 30 20 DBED CC(C)(C(N)=O)C(=O)NC1CCN(c2cnc(C#N)cn2)CC1 1095433189 CKHPATRCMGURSA-UHFFFAOYSA-N 316.365 -0.055 30 20 DBED C[C@@H](CNC(=O)C[C@H]1CCC(=O)N1)N=c1cc[nH]c(C#N)n1 1097950259 LYPUMDYZOLAOOY-VHSXEESVSA-N 302.338 -0.645 30 20 DBED Cc1cc(CC(=O)NC[C@@H](C)N=c2cc[nH]c(C#N)n2)n(C)n1 1098155118 XAILPQGDYDJXKM-LLVKDONJSA-N 313.365 -0.029 30 20 DBED C[C@H](CNC(=O)[C@@H]1CNC(=O)N1)Nc1ncc(C#N)cc1F 1098250959 QNWVYBNGEPLFTO-XCBNKYQSSA-N 306.301 -0.310 30 20 DBED Cn1cncc1C(=O)N1CC[C@H](n2cc(CNCC#N)nn2)C1 1098688610 UKVGTJGQHMKUIF-LBPRGKRZSA-N 314.353 -0.288 30 20 DBED CN1CC[C@@H](C(=O)N2CC[C@H](n3cc(CNCC#N)nn3)C2)C1 1098780390 UQUQSSIJYKHMSY-OCCSQVGLSA-N 317.397 -0.384 30 20 DBED C=CCCCCCN1CC[C@H](NC(=O)CNC(N)=O)[C@H](O)C1 1099665753 LRXXPEGVPSWXBC-QWHCGFSZSA-N 312.414 -0.048 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(Cc2cncn2C)C[C@H]1O 1099741468 UKOMNIVNNTUIQK-UONOGXRCSA-N 308.382 -0.326 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)CCn2ccnn2)[C@H](O)C1 1099799953 VMWMDPINTKAMGS-ZIAGYGMSSA-N 323.397 -0.578 30 20 DBED C#CCCCC(=O)N[C@@H]1CCN(CC(=O)NCC=C)C[C@@H]1O 1099807895 XLURTBSRFUOCMD-KGLIPLIRSA-N 307.394 -0.357 30 20 DBED CC#CCCCC(=O)N[C@@H]1CCN(Cc2nnn(C)n2)C[C@H]1O 1099962054 IMJZPZRCANQYFU-CHWSQXEVSA-N 320.397 -0.545 30 20 DBED C=CCCOCC(=O)N[C@H]1CCN(Cc2ncnn2C)C[C@H]1O 1100139287 OPALQFDHEZMTHN-QWHCGFSZSA-N 323.397 -0.541 30 20 DBED CN(CCNC(=O)[C@H]1CCC(=O)NC1)c1cnc(C#N)cn1 1100404050 JMXMUXPNUJJXFD-JTQLQIEISA-N 302.338 -0.573 30 20 DBED CCN(CCNC(=O)CNC(=O)NC)c1cncc(C#N)n1 1100749976 AFTOLDSOVSRFGS-UHFFFAOYSA-N 305.342 -0.780 30 20 DBED COCCOCC(=O)NC[C@@H]1CCN(c2ccnc(C#N)n2)C1 1100950429 TYZPKANBKJUMLZ-LBPRGKRZSA-N 319.365 -0.046 30 20 DBED C#CCNC1CC(CNC(=O)CCNC(=O)c2cnccn2)C1 1101002965 LJMSOPHSNXDWCR-UHFFFAOYSA-N 315.377 -0.286 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H]2CN(C[C@H](C)OC)C[C@@]2(C)C1 1101207720 PSJPIZLADVTJTM-VBQJREDUSA-N 321.421 -0.059 30 20 DBED CN1CCC(C(=O)N(C)CCN=c2cc[nH]c(C#N)n2)CC1 1101671897 LLPZRRWROMLZIG-UHFFFAOYSA-N 302.382 -0.018 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)[C@]1(C)CCC(=O)NC1 1101911167 PUXPFZZEWUWJRX-OAHLLOKOSA-N 316.365 -0.443 30 20 DBED CC[C@H](CNC(=O)[C@H]1CNC(=O)N1)N=c1cc[nH]cc1C#N 1103277692 NJELTUVXZYTGTQ-ZYHUDNBSSA-N 302.338 -0.637 30 20 DBED Cc1cc(=NC[C@H](C)N(C)C(=O)Cn2cnnn2)c(C#N)c[nH]1 1104448159 YNRPEWADVAZLOP-NSHDSACASA-N 314.353 -0.371 30 20 DBED C[C@@H]1CN(C(=O)CNC(N)=O)CC[C@@H]1Nc1cncc(C#N)n1 1105029919 KJPUNGUUYGKAKM-KOLCDFICSA-N 317.353 -0.335 30 20 DBED CNC(=O)NCC(=O)NC[C@@H](Nc1cnc(C#N)cn1)C(C)C 1105299023 ZDMCOGKVZULNGQ-LLVKDONJSA-N 319.369 -0.170 30 20 DBED C#CCNCc1cn(C2CN(C(=O)c3conc3C)C2)nn1 1105317018 DGHHPCRUQPRDRO-UHFFFAOYSA-N 300.322 -0.006 30 20 DBED C=CCN[C@@H]1C[C@@]2(C[C@H]1O)CN(C(=O)CNC(N)=O)[C@H]2C(C)C 1105593790 GCYCCYPWOAKJMD-UNIGVISCSA-N 324.425 -0.193 30 20 DBED Cc1cc(C(=O)NC[C@@H](O)CNc2nccnc2C#N)no1 1105710291 ZETNQCVQBLZPCN-VIFPVBQESA-N 302.294 -0.153 30 20 DBED Cn1nccc1C(=O)NC[C@H](O)CNc1nccnc1C#N 1105738823 BEZSZZBIHQMNCH-SECBINFHSA-N 301.310 -0.715 30 20 DBED CN1CCO[C@@H](C(=O)NC[C@@H](O)CNc2ccc(C#N)cn2)C1 1105769940 RJYVCBYLUZQOOP-QWHCGFSZSA-N 319.365 -0.827 30 20 DBED N#Cc1nc(=NC[C@H](O)CNC(=O)c2cncc(F)c2)cc[nH]1 1105815697 CHHZWYVXMXXMSC-NSHDSACASA-N 316.296 -0.493 30 20 DBED CC[C@H](C(=O)NC[C@@H](O)CN=c1cc(C)[nH]cc1C#N)N(C)C 1105925623 DJVSWRUDBDYGBE-DZGCQCFKSA-N 319.409 -0.087 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)C[C@@H]2CCNC2=O)cn1 1106002496 ITHTVICXLPQTFO-GWCFXTLKSA-N 317.349 -0.632 30 20 DBED CC(C)[C@@H](O)C(=O)N1C[C@@H](C)[C@H](CNCC(=O)NCC#N)C1 1106077951 ZNFCGEPYNTVTIT-YRGRVCCFSA-N 310.398 -0.673 30 20 DBED N#Cc1nc(=NC[C@@H](O)CNC(=O)Cc2cscn2)cc[nH]1 1106125756 AINFDMJVOKTCKG-SNVBAGLBSA-N 318.362 -0.642 30 20 DBED CC(=O)NCC(=O)NC/C=C\CN=c1cc(C)[nH]cc1C#N 1107049454 QNNXOTWJHOSWDH-ARJAWSKDSA-N 301.350 -0.096 30 20 DBED C[C@H](CNc1ccc(C#N)nn1)NC(=O)CN1C(=O)CCC1=O 1107753121 WFDWARBJMMIXAJ-SECBINFHSA-N 316.321 -0.586 30 20 DBED C#CCCN1CCO[C@@](C)(CNC(=O)C2CN(C(C)=O)C2)C1 1107899648 USCATAPIQLTHLZ-INIZCTEOSA-N 307.394 -0.305 30 20 DBED CC#CCN1CCO[C@](C)(CNC(=O)[C@H]2CCCNC2=O)C1 1108010647 YNFMDFLCBJSWGD-XJKSGUPXSA-N 307.394 -0.257 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)COCc2nccn2C)C1 1108015034 MPABQLQQBMMHRE-INIZCTEOSA-N 320.393 -0.223 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)c1coc(C(N)=O)c1 1108019791 WIAWIWJCWHBKDR-MRVPVSSYSA-N 314.305 -0.308 30 20 DBED C[C@]1(CNC(=O)[C@@]2(C)CCNC(=O)C2)CN(CC#N)CCO1 1108025326 ZKSCHIMBODBMIZ-GJZGRUSLSA-N 308.382 -0.367 30 20 DBED CN(CC(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1)C1CCC1 1108552595 PRIBPSDJGROYPM-GFCCVEGCSA-N 319.409 -0.604 30 20 DBED C[C@@H](CN(C)c1ccc(C#N)nn1)NC(=O)C(C)(C)C(N)=O 1109124649 GHQPSYQKAUKGKV-VIFPVBQESA-N 304.354 -0.199 30 20 DBED N#Cc1ccc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)CNC(N)=O)nc1 1109680171 XYGAREYLGTVBCA-NRUUGDAUSA-N 300.322 -0.685 30 20 DBED C#CCCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCNC(=O)COC 1110624031 CZJUDZJQNLITEI-MCIONIFRSA-N 307.394 -0.116 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCn1ncn(C)c1=O 1110854594 NKMIJJKWXXAKAJ-UPJWGTAASA-N 303.366 -0.673 30 20 DBED CSCC(=O)N(C)[C@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1111168801 NNDGDTLHYPKNGJ-QWRGUYRKSA-N 307.379 -0.281 30 20 DBED CC#CCN[C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1C(F)(F)F 1112041579 QMVAKJBJSLNRLL-NXEZZACHSA-N 316.287 -0.325 30 20 DBED CN(CCCN(C)c1ncccc1C#N)C(=O)[C@@H]1CNC(=O)N1 1112168567 VNPOQSMOPZCWML-LBPRGKRZSA-N 316.365 -0.081 30 20 DBED C#CCNC[C@]12CCC[C@H]1CN(C(=O)CC(=O)NCC#C)C2 1112311786 GJYCTRFYIYHOPZ-YOEHRIQHSA-N 301.390 -0.023 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@@H]2CCC[C@]2(CNCC(=O)NC)C1 1112348956 JEKPBHUXWZOOKF-KEYYUXOJSA-N 321.421 -0.011 30 20 DBED CC1(C)CN(c2nccnc2C#N)CC[C@@H]1NC(=O)CC(N)=O 1112371660 QWEREJRCVVUCQT-NSHDSACASA-N 316.365 -0.055 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)C[C@H]2CCCO2)CC1 1112633975 CDUBZBMDUIMNLK-ZIAGYGMSSA-N 307.394 -0.162 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(c2cncc(C#N)n2)C[C@H]1O 1112701706 KNAJKTQSJKVOGS-WCQYABFASA-N 317.349 -0.536 30 20 DBED C[C@H](NC(=O)CCNC(N)=O)[C@@H](C)Nc1cncc(C#N)n1 1113038260 CQCNDNWFAGHLOE-BDAKNGLRSA-N 305.342 -0.288 30 20 DBED CNC(=O)NCC(=O)N[C@H](C)[C@@H](C)Nc1ccc(C#N)nn1 1113350648 WSOWUWVETGIGHM-RKDXNWHRSA-N 305.342 -0.418 30 20 DBED CCc1nc(C#N)cc(N(C)[C@H](C)CNC(=O)CNC(C)=O)n1 1113479012 OLSYVMMCBIOIIJ-SNVBAGLBSA-N 318.381 -0.012 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)c2c[nH]nc2C2CC2)CC1 1113488877 RVHXXKBTGKSBBL-UHFFFAOYSA-N 316.365 -0.315 30 20 DBED C[C@@H](CNC(=O)Cn1cnnc1O)N(C)c1ccncc1C#N 1113569373 YEIXMNRZGBIBSK-JTQLQIEISA-N 315.337 -0.109 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)N(C)c1nccnc1C#N 1113802045 GLDJUGBAINMZNX-ONGXEEELSA-N 317.353 -0.687 30 20 DBED C[C@H](CNC(=O)[C@H]1CCNC1=O)N(C)c1nccnc1C#N 1113802221 JWFOIYCWALDKQQ-ZJUUUORDSA-N 302.338 -0.575 30 20 DBED C[C@H](CNC(=O)[C@H]1CNC(=O)N1)N(C)c1ncc(C#N)cc1F 1113869430 MTKDDKZJQJACID-LDYMZIIASA-N 320.328 -0.285 30 20 DBED C=CCCO[C@H](C)C(=O)N[C@H]1[C@@H]2CN(Cc3nnn(C)n3)C[C@@H]21 1113998668 BIHSBRGQEBDKJY-NMKXLXIOSA-N 320.397 -0.262 30 20 DBED C=CCOCC(=O)N[C@H]1[C@@H]2CN([C@H]3CCCN(C)C3=O)C[C@@H]21 1114047504 HATLAZVPTOUUJW-SFDCQRBFSA-N 307.394 -0.144 30 20 DBED O=C(C#CC1CC1)N[C@H]1[C@@H]2CN(C[C@H]3CCS(=O)(=O)C3)C[C@@H]21 1114253941 XAWKNIZOYNPBPM-NYTXWWLZSA-N 322.430 -0.119 30 20 DBED N#CCN1C[C@H]2[C@H](NC(=O)CCCn3c(O)nnc3O)[C@H]2C1 1114496928 VZUMRLZSIVBQNV-JZYVYDRUSA-N 306.326 -0.961 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)Cc3nonc3C)[C@H]2C1 1115048791 CRCFSPKSCJBREH-QWRGUYRKSA-N 319.365 -0.731 30 20 DBED C=C[C@@H](COC)NC(=O)N1CCN(c2cnn(C)c2)C(=O)C1 1116616822 FAMWRAKUHCQWLN-NSHDSACASA-N 307.354 -0.021 30 20 DBED C=C[C@H](COC)NC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C 1116625829 GFORLWSLXIIYNQ-SECBINFHSA-N 320.349 -0.494 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)C(=O)NCCC[C@@H]2CCOC2)C1 1118225354 DZLSADZYPCSYSL-IUODEOHRSA-N 309.366 -0.204 30 20 DBED C=C(C)COCCNC(=O)C(=O)N1CCO[C@@H](COCC)C1 1119160115 KGJJSBCOLWFWBB-CYBMUJFWSA-N 314.382 -0.041 30 20 DBED C#CC1CCN(c2nnnn2C[C@@H]2CCS(=O)(=O)C2)CC1 1120126639 IJTZUBMQOLRGBW-LBPRGKRZSA-N 309.395 -0.043 30 20 DBED Cc1cc(C#N)nc(N[C@@H](CO)CNC(=O)COCC2CC2)n1 1121092918 USGGATWIYOIVIZ-CYBMUJFWSA-N 319.365 -0.028 30 20 DBED CCOCCC(=O)NC[C@H](CO)N=c1cc(C)[nH]cc1C#N 1121205240 MHWOWXSIOHVMJV-CYBMUJFWSA-N 306.366 -0.001 30 20 DBED CCc1ocnc1C(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1 1121266066 QOSFIILNZQYBIW-VIFPVBQESA-N 316.321 -0.477 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)Cn2cncn2)nc1 1121535417 CJOLBYVPFSNRKE-LLVKDONJSA-N 301.310 -0.866 30 20 DBED CCN(CC)CC(=O)NC[C@@H](CO)Nc1cnc(C#N)cn1 1121660568 YIXPTAJVYBWEOF-LBPRGKRZSA-N 306.370 -0.421 30 20 DBED CCn1cnc(C(=O)NC[C@@H](CO)N=c2cc[nH]cc2C#N)c1 1121853488 BPWNQOYKLMKBCF-LBPRGKRZSA-N 314.349 -0.206 30 20 DBED Cc1nonc1CC(=O)NC[C@@H](CO)Nc1ccc(C#N)cn1 1121956339 PVROLSHACPRLMU-NSHDSACASA-N 316.321 -0.224 30 20 DBED N#Cc1cncc(N[C@@H](CO)CNC(=O)CC2=CCOCC2)n1 1122480328 IZIGXKAJJHMCAU-CYBMUJFWSA-N 317.349 -0.026 30 20 DBED C#Cc1cncc(C(=O)NC[C@@H](CO)Nc2cnc(C#N)cn2)c1 1122507550 CKQCTPXFTWDDFH-AWEZNQCLSA-N 322.328 -0.073 30 20 DBED C[C@H](CC(N)=O)C(=O)N(C)C[C@@H](O)CNc1nccnc1C#N 1124688746 KDCVZJNTKDRODA-ZJUUUORDSA-N 320.353 -0.909 30 20 DBED C#CCN1CCn2ncc(CNC(=O)CNC(=O)C3CC3)c2C1 1128207152 JOAHWUNEBBOLMV-UHFFFAOYSA-N 315.377 -0.526 30 20 DBED C#CCCN1CCn2ncc(CNC(=O)CNC(=O)OC)c2C1 1128228658 QFUVPRQDOIEKMB-UHFFFAOYSA-N 319.365 -0.306 30 20 DBED CN(CC(=O)NCCNCc1ccc(C#N)cc1)S(C)(=O)=O 1128604292 UULJAKJUQXOWFJ-UHFFFAOYSA-N 324.406 -0.345 30 20 DBED C#CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H](C)CC(N)=O)C1 1129154658 VTCOXIDGPUWLSP-XQQFMLRXSA-N 318.381 -0.846 30 20 DBED C=CCN[C@@H]1CN(C(=O)[C@H](C)NC(C)=O)C[C@@H]1n1ccnn1 1129547895 RGYNUCWWFWPVSD-UHTWSYAYSA-N 306.370 -0.670 30 20 DBED CC#CCN[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1c1cn(C)cn1 1130541287 DGTZECOIMBBOTR-WCQYABFASA-N 303.366 -0.797 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)CCc1ccncc1 1130696065 JIXLVXKNILQIQQ-CYBMUJFWSA-N 302.378 -0.142 30 20 DBED C[C@H](C#N)C(=O)NCc1nc([C@@H]2COCCN2CCF)n[nH]1 1130835882 SCQAYEBFOLISJS-ZJUUUORDSA-N 310.333 -0.077 30 20 DBED CC(=O)N(C)CC(=O)N1C[C@@H](NCC#N)[C@H](c2cncn2C)C1 1130915295 HYICNTHGQAIWPS-CHWSQXEVSA-N 318.381 -0.694 30 20 DBED C=C[C@@](C)(CCOC)C(=O)NCCN[C@H]1CCC(=O)NC1=O 1131870659 WYXHRDHSKAGUKI-NHYWBVRUSA-N 311.382 -0.274 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)Cc2ccon2)CC[C@@H]1C 1131931203 OROSYAPGFWSVIO-JSGCOSHPSA-N 318.377 -0.064 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)c1cnn2cccnc12 1132215599 BBEQMTWFXFUGIA-LLVKDONJSA-N 316.365 -0.261 30 20 DBED C=C(Cl)CNCCNC(=O)c1c[nH]nc1S(N)(=O)=O 1133616021 JYVJBZNOEMMMAE-UHFFFAOYSA-N 307.763 -0.871 30 20 DBED C#CCCN[C@@H](C)C[C@@H](C)NC(=O)CCS(=O)(=O)NC 1134352084 MXGKZDFWBOSICT-NWDGAFQWSA-N 303.428 -0.178 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1cnc(C2CC2)nc1 1134856779 PHEBNHPIHRVTGI-LLVKDONJSA-N 315.377 -0.189 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1c(C)nn(CC)c1C 1135409555 PSTAOPFJAXKVBU-UHFFFAOYSA-N 305.382 -0.411 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cccc(OC)c1F 1135643257 NTRVXCLGURHSRF-UHFFFAOYSA-N 307.325 -0.097 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)c2cn(CCC)nn2)C1=O 1135969964 CZZLMQYBJZJDBC-LBPRGKRZSA-N 320.397 -0.206 30 20 DBED C=CCOCCN1CCC2(C1)CN(C(=O)[C@H](C)NC(N)=O)C2 1147422224 GBJJGBVXHHOELN-LBPRGKRZSA-N 310.398 -0.220 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)CCCCNC(N)=O)C1 1149947484 ZTNGSESBJYVTNQ-ZDUSSCGKSA-N 310.398 -0.335 30 20 DBED C#CCNC(=O)CN1CCCO[C@@H](CNC(=O)c2cnco2)C1 1150048217 VZEVZOIYCJJUOI-LBPRGKRZSA-N 320.349 -0.755 30 20 DBED C=CCNC(=O)CNCCNC(=O)CS(=O)(=O)CCCC 1152604435 ZPLPWJITPNAITN-UHFFFAOYSA-N 319.427 -0.791 30 20 DBED C=CCO[C@H](C)C(=O)NCCNC[C@H](O)COCCOC 1153149307 VGPIGUSGEHNELY-OLZOCXBDSA-N 304.387 -0.693 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)[C@@H](CC)N(C)C 1153998130 JTGFUBOUIYRAAP-ZIAGYGMSSA-N 310.442 -0.097 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)Cc2nnc(C)o2)C1=O 1157466549 NOJSHHBBEUFRSF-GFCCVEGCSA-N 321.381 -0.197 30 20 DBED CC(C)C#CC(=O)NCCCNC[C@H](O)CN1C(=O)CCC1=O 1157638845 QNKKJPMXRWGTLF-ZDUSSCGKSA-N 323.393 -0.748 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1cnc(Cl)n1C 1162534872 PADVBCDFYSLKEA-UHFFFAOYSA-N 311.773 -0.468 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)c1cc(OCC)no1 1162674150 HXEPAIFEYWHTAN-LLVKDONJSA-N 322.365 -0.079 30 20 DBED C#CCN1CCC(C(=O)NCCCN[C@@H](CC)C(N)=O)CC1 1176925950 FAOMMERMLSOOMY-AWEZNQCLSA-N 308.426 -0.309 30 20 DBED C#CCCN1CCO[C@@H]2CCN(C(=O)CC(=O)NCC#C)C[C@@H]21 1176983036 MMHBIHJJAFMYLR-LSDHHAIUSA-N 317.389 -0.549 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)CCc2ncc[nH]2)[C@H]1C 1178572688 PFIHTHOKHXVTOF-STQMWFEESA-N 317.393 -0.329 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)Cc2cnc[nH]2)[C@H]1C 1179608748 YVIMNTKOBJCOBM-AAEUAGOBSA-N 305.382 -0.167 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](C)[C@](C)(CNCc2nc(=O)n(C)[nH]2)C1 1180914850 WFWCKOMRXLHHHA-FIXISWKDSA-N 320.397 -0.158 30 20 DBED C=CCCN[C@@H]1CCN(C(=O)[C@H]2CCN(C)S2(=O)=O)C1 1186235389 XWSJRIPNPOGALV-VXGBXAGGSA-N 301.412 -0.213 30 20 DBED C=CCNC(=O)NC(=O)CN(C)[C@@H]1CCN(C(=O)COC)C1 1188513213 QLBZERMFQAXBCQ-LLVKDONJSA-N 312.370 -0.823 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)C[C@H]2CCCO2)C1 1189011788 GFWMZRCUYPWYIR-UONOGXRCSA-N 307.394 -0.162 30 20 DBED CC#CCN(C)[C@@H]1CCN(C(=O)CCS(=O)(=O)NC)C1 1190135691 FQPUMRPUHKXROY-GFCCVEGCSA-N 301.412 -0.518 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(Cc2ccc(OC)nn2)C[C@H]1O 1191807646 UDMISZGQLIOFIH-CHWSQXEVSA-N 322.365 -0.651 30 20 DBED CO[C@@H](C(=O)N1CC[C@H](N(C)CC(=O)NCC#N)C1)C(C)C 1192162804 RRKZWFUIDSQLHQ-GXTWGEPZSA-N 310.398 -0.170 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)[C@@H](COC)OC)C1 1192267499 JGXBWXMJDALPRP-QWHCGFSZSA-N 313.398 -0.517 30 20 DBED CC(C)(C)C#CC(=O)N[C@@H]1CN(CCS(C)(=O)=O)C[C@H]1O 1192870575 AGBKALLIQAKERX-VXGBXAGGSA-N 316.423 -0.758 30 20 DBED C[C@@H](NC(=O)c1ccoc1)C(=O)N[C@@H]1CN(CC#N)C[C@H]1O 1193165940 HFUSFCYLRLFFBQ-YUSALJHKSA-N 306.322 -0.917 30 20 DBED C=CCN(C)[C@H]1CCN(C(=O)CN(C)S(=O)(=O)CC)C1 1193205317 RIJUJGDJFZHFJZ-LBPRGKRZSA-N 303.428 -0.013 30 20 DBED C=CCC(CC=C)C(=O)N[C@@H]1CN(Cc2nc(O)n[nH]2)C[C@H]1O 1193231491 GBWXFPDIADFYFK-VXGBXAGGSA-N 321.381 -0.060 30 20 DBED Cn1cccc1C(=O)N1CCCN(CC(=O)NCC#N)CC1 1194844034 OQTPEBRLERKOCC-UHFFFAOYSA-N 303.366 -0.187 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)C2(CC)CCC2)C1 1195459964 MCHQXZYNACUVOX-MGPQQGTHSA-N 321.421 -0.134 30 20 DBED C#CCOCCC(=O)N1CCCN(Cc2ncnn2C)CC1 1195823812 BKMGRPYRXHQRNW-UHFFFAOYSA-N 305.382 -0.111 30 20 DBED CCC(C)(CC)C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1O 1198842534 VDWSOMLIUMVIRI-VXGBXAGGSA-N 310.398 -0.386 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)[C@H](C)CC)CCCO1 1199885695 BUTTXMUIAHRDQC-ZIAGYGMSSA-N 309.410 -0.011 30 20 DBED C#CCNC[C@@H]1CN(C(=O)Cn2ccccc2=O)CCCO1 1202021114 GKTXZDSETGAKPZ-CQSZACIVSA-N 303.362 -0.311 30 20 DBED C#CCCNC[C@H]1CN(C(=O)c2cn(C)c(=O)n2C)CCCO1 1202163960 KRAUKGUFBIGBRF-ZDUSSCGKSA-N 320.393 -0.432 30 20 DBED CC#CCNC1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)CC1 1203323302 FGFGLRTVZXQCSB-UHFFFAOYSA-N 314.349 -0.365 30 20 DBED COCC#CCNCC1CCN(C(=O)[C@H]2CCCNC2=O)CC1 1205492562 FFPWIECSICEQLY-HNNXBMFYSA-N 321.421 -0.009 30 20 DBED Cc1c(C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@H]2C)cnn1C 1205978659 XYWJOWGUGBSKBD-ZWNOBZJWSA-N 318.381 -0.582 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(Cc2cnns2)C[C@H]1C 1206891756 HJUDONKKLWORDN-ZYHUDNBSSA-N 321.406 -0.386 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCC[C@H](NCc2nnnn2C)C1 1207951070 QEAZPBAHGCIMPN-SMDDNHRTSA-N 308.386 -0.382 30 20 DBED C#CCOCCC(=O)N1CCC[C@@H](N[C@@H](C)c2nnnn2C)C1 1208025777 RLLNKKHYRJOFHK-QWHCGFSZSA-N 320.397 -0.108 30 20 DBED C=C(C)CCN1C[C@@H](NC(=O)CNS(=O)(=O)NC)[C@H](C)C1 1208138865 OXZMIVXLDRLTBP-VXGBXAGGSA-N 318.443 -0.557 30 20 DBED C=CCOCCN1C[C@@H](NC(=O)CN2CCNC(=O)C2)[C@H](C)C1 1208281587 PYZUIWQUPYATDT-ZIAGYGMSSA-N 324.425 -0.943 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 1208373150 GYJFTZZBGBIZLD-HOCLYGCPSA-N 322.453 -0.097 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)[C@]2(C)CCC(=O)N2)[C@H](C)C1 1208533565 QNNPNVIPQONGOV-HSMVNMDESA-N 322.409 -0.606 30 20 DBED C=CCCN[C@@H]1CCCN(C(=O)C[C@H](NC(C)=O)C(N)=O)C1 1209963063 FEZXCGLQLGRMTI-OLZOCXBDSA-N 310.398 -0.477 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)C12CCN(CC1)C2 1210330179 QOZVLBYUEMABQF-CHWSQXEVSA-N 319.409 -0.842 30 20 DBED CO[C@@H]1CN(Cc2nc(O)n[nH]2)C[C@H]1NC(=O)C#CC(C)C 1212240755 CQKICLYTZFMRFJ-GHMZBOCLSA-N 307.354 -0.515 30 20 DBED COCC#CCN1C[C@@H](NC(=O)c2nc(C)c[nH]2)[C@H](OC)C1 1213550745 AGXKUYAQBNUMPY-CHWSQXEVSA-N 306.366 -0.203 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)C[C@@](C)(O)C2CC2)C[C@H]1C 1214452120 DRKYOHCWGYEIEA-SUYBPPKGSA-N 321.421 -0.277 30 20 DBED CC(C)C#CC(=O)N1CCO[C@@H]2CN(Cc3nncn3C)C[C@@H]21 1217843814 IWDBVNPWUDSISC-UONOGXRCSA-N 317.393 -0.114 30 20 DBED C=CCN(CC=C)C(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H](C)C#N)C1 1219383532 SUGPYURRVBZKPZ-MJBXVCDLSA-N 320.393 -0.492 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2nnc(C)o2)C[C@@H]1O 1219605697 ZSPBWXABRHJPDA-WCQGTBRESA-N 308.338 -0.922 30 20 DBED CC1(C)CCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@@H]1O 1220166016 QIJGPGKBXOTAPO-XQQFMLRXSA-N 322.409 -0.386 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@@H]2CN(C(=O)c3ccon3)[C@@H]2C1 1221322038 LUGHUTQVQCGANU-YRGRVCCFSA-N 316.361 -0.041 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cnn(C)c1 1224716462 OQJBWZVFZGRQBI-ZIAGYGMSSA-N 317.393 -0.200 30 20 DBED C=CCNC(=O)CN1CCC(CNC(=O)CC(=O)N(C)C)CC1 1224771789 OCDOOZIYKVWGLU-UHFFFAOYSA-N 324.425 -0.405 30 20 DBED C=CCN(C(=O)C(=O)NC[C@@H]1COCCO1)[C@@H](C)COC 1261687580 PUCUQZQQXJTECG-NWDGAFQWSA-N 300.355 -0.433 30 20 DBED C=C(C)Cn1nnnc1N1CCN(S(=O)(=O)N(C)C)CC1 1262385314 HEBWESSJKRCHBX-UHFFFAOYSA-N 315.403 -0.822 30 20 DBED C[C@H](O)CN(C(=O)C(=O)Nc1ccn(CCC#N)n1)[C@H](C)CO 1320935377 ARHZQXIYJLHKEF-MNOVXSKESA-N 323.353 -0.675 30 20 DBED C=CCN(CCOC)C(=O)C(=O)NCCCS(C)(=O)=O 1327749195 RRGCPRAGWHUWFJ-UHFFFAOYSA-N 306.384 -0.802 30 20 DBED C#CC[C@@H](NC(=O)CNS(=O)(=O)c1ccccc1)C(=O)OC 1328617143 VFUHGKCOXJBHDM-GFCCVEGCSA-N 324.358 -0.354 30 20 DBED C=CCNC(=O)Cn1nnnc1N1CC[C@@H](n2cccn2)C1 1334165599 BUXRPAOZEMKSDK-LLVKDONJSA-N 302.342 -0.377 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)NCc2ccc3c(c2)OCO3)CCO1 1340149262 WADYXFDQOHNZQI-LLVKDONJSA-N 317.301 -0.218 30 20 DBED C=C(C)[C@H]1OCC[C@H]1CNC(=O)Cn1ncn2nccc2c1=O 1344491369 NUZAYVPHWGBRBQ-SMDDNHRTSA-N 317.349 -0.012 30 20 DBED N#CCC1(CNC(=O)C(=O)NCC2(C(=O)O)CCOCC2)CC1 1345991252 SEOPFJHDTFXFPN-UHFFFAOYSA-N 323.349 -0.206 30 20 DBED Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)NCC(C)(C)C#N 1350979251 DZPPXYMGXMAITR-UHFFFAOYSA-N 312.351 -0.479 30 20 DBED CN(C)[C@@H]1CCCN(C(=O)CCn2cc(C#N)c(O)nc2=O)C1 1361913766 VANNSRDUOSPJEX-GFCCVEGCSA-N 319.365 -0.237 30 20 DBED N#Cc1ccncc1C(=O)N1CCS(=O)(=O)[C@H]2COCC[C@H]21 1363250108 PZMQWMLUVVWIDS-OLZOCXBDSA-N 321.358 -0.019 30 20 DBED C[C@@H]1C[C@@H](NC(=O)CCn2cc(C#N)c(O)nc2=O)C(=O)O1 1363374537 RCVMBMSKTRNXFF-VXNVDRBHSA-N 306.278 -0.969 30 20 DBED N#CC[C@]1(O)CCN(C(=O)NC[C@H]2CCCS(=O)(=O)C2)C1 1364670219 VACYHROODAWMQO-YPMHNXCESA-N 315.395 -0.129 30 20 DBED CNC(=O)c1nn[nH]c1NC(=O)N1CCN(CCC#N)CC1 1365262611 BEVDIXSIBSXHKW-UHFFFAOYSA-N 306.330 -0.773 30 20 DBED COC(=O)C1(C#N)CCN(C(=O)N[C@@H]2CCN(C)C2=O)CC1 1365581252 ONDPUACSRDDYPA-SNVBAGLBSA-N 308.338 -0.295 30 20 DBED CNC(=O)NC(=O)[C@@H](C)N(CCNC(=O)[C@H](C)C#N)C1CC1 1372776725 LIUNXCKQYWICLC-NXEZZACHSA-N 309.370 -0.429 30 20 DBED CCC(=O)NCC(=O)N1CC[C@@H](CN(C)C(=O)[C@H](C)C#N)C1 1374460772 QLCBJCQWDXUFBJ-NEPJUHHUSA-N 308.382 -0.021 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C(=O)c1c[nH]c(=O)cn1)C1CC1 1388677611 BKIPWQSSJOTSGZ-VIFPVBQESA-N 303.322 -0.350 30 20 DBED C[C@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)[C@H]1CCCC(=O)N1 1397406480 JRFIDGBMYSBASK-MWLCHTKSSA-N 317.349 -0.210 30 20 DBED N#Cc1ccccc1CN1CC[C@@H]1CNC(=O)Cn1cnnn1 1406820071 ZWXQYSVUSPSWBX-CQSZACIVSA-N 311.349 -0.065 30 20 DBED C[C@H](C#N)C(=O)NC1CCN(C(=O)c2cnn(C)c2N)CC1 1407278285 PJAMLXIDTASIKH-SECBINFHSA-N 304.354 -0.117 30 20 DBED C[C@H](C#N)C(=O)N(C)CCN(C)C(=O)CCCS(C)(=O)=O 1410008202 PJOHEQNVFWCMED-LLVKDONJSA-N 317.411 -0.112 30 20 DBED N#Cc1cn(CCC(=O)NCc2cccnn2)c(=O)nc1O 1412079459 TYKOAIHOUOGUMY-UHFFFAOYSA-N 300.278 -0.683 30 20 DBED CC(C)c1nnnn1CC(=O)N1CC[C@H](NC(=O)[C@@H](C)C#N)C1 1414802771 IHPQOWJFQZMXMN-QWRGUYRKSA-N 319.369 -0.327 30 20 DBED CC(C)c1nnnn1CC(=O)NCC[C@@H](C)NC(=O)[C@@H](C)C#N 1415392441 LLJZVIMDXQXITD-WDEREUQCSA-N 321.385 -0.033 30 20 DBED C[C@H](CNC(=O)c1cc(=O)n(C)cn1)CNC(=O)[C@@H](C)C#N 1416469389 CLQLPQPSSLADKD-UWVGGRQHSA-N 305.338 -0.578 30 20 DBED CC[C@@H](C)NC(=O)CN1CCN(CCNC(=O)[C@@H](C)C#N)CC1 1419136452 XSWVBWQMQQITOM-UONOGXRCSA-N 323.441 -0.205 30 20 DBED C[C@@H](CN(C)C(=O)c1ccn2nnnc2c1)NC(=O)[C@H](C)C#N 1425164430 IZAIGWVIMSBLHO-ZJUUUORDSA-N 315.337 -0.139 30 20 DBED CC(C)Cn1nccc1C(=O)NC[C@H](O)CNC(=O)[C@H](C)C#N 1433296963 CUTALXIRCVQVEF-VXGBXAGGSA-N 321.381 -0.094 30 20 DBED C[C@H](C#N)C(=O)NCCN1CCN([C@H]2CCN(C)C2=O)CC1 1436699729 OJGQXMSTRYZDOH-OLZOCXBDSA-N 307.398 -0.889 30 20 DBED CNC(=O)NCC(=O)NC[C@H](O)CNCc1cccc(C#N)c1 1445190074 FGCFQLYHNJNDMG-CYBMUJFWSA-N 319.365 -0.946 30 20 DBED COC(=O)[C@H](CC(C)C)NC(=O)Cn1cc(C#N)c(O)nc1=O 1471581216 QIGAGSBDUUHFIF-JTQLQIEISA-N 322.321 -0.476 30 20 DBED C[C@H]1C[C@H](NC(=O)NCCn2cc(C#N)c(O)nc2=O)CO1 1478915418 IOUYEVVNTXVMDP-WPRPVWTQSA-N 307.310 -0.703 30 20 DBED C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)N(C)C(=O)Cn1cnnn1 1486834727 JXSDKGSOKRZCBK-VIFPVBQESA-N 316.325 -0.850 30 20 DBED C=CCCOCC(=O)N[C@@H]1CCCN([C@@H]2CCC(=O)NC2=O)C1 1494301398 GUIPPVFAHSJRME-CHWSQXEVSA-N 323.393 -0.035 30 20 DBED CNC(=O)NCC(=O)N1CCC[C@@H](N(C)C(=O)[C@H](C)C#N)C1 1495381079 AIPLIGNGJZGWKK-GHMZBOCLSA-N 309.370 -0.476 30 20 DBED C=CCOC[C@@H](NC(=O)C1CC2(CNC[C@@H]2C#N)C1)C(=O)OC 1574944224 ZWDONRFSPZPZHC-BWAOXVRWSA-N 321.377 -0.014 30 20 DBED CC#CCNC[C@@H](O)CN(C)C(=O)[C@H](C)OCc1cnn[nH]1 1575123872 XRFSSHUMEUKCTP-WCQYABFASA-N 309.370 -0.858 30 20 DBED C[C@@H]1CN(CCO)CCN1c1cnc(-c2nn[nH]n2)c(C#N)n1 1576360562 LQZOZYLTKGLGKA-SECBINFHSA-N 315.341 -0.969 30 20 DBED C[C@@H]1[C@@H](NC(=O)NCCn2cnc(C#N)n2)C[C@H]2CC[C@H]1N2 1576579183 LWVMAFSCXDPMHB-QCNOEVLYSA-N 303.370 -0.022 30 20 DBED C#CC[C@@H](NC(=O)[C@@H](C)n1cnc2c(N)ncnc21)C(=O)O 1588399666 WYNWLSUAKLIHKR-HTQZYQBOSA-N 302.294 -0.438 30 20 DBED C#CCN(CC(=O)O)C(=O)N[C@@H](C)CN(C)CCCN(C)C 1588408798 FQZGYGNASCHVLK-ZDUSSCGKSA-N 312.414 -0.012 30 20 DBED CC(C)CN(CC(=O)O)S(=O)(=O)N1CCO[C@H](C#N)C1 1591303273 PEANDHQKAKDJPP-SNVBAGLBSA-N 305.356 -0.502 30 20 DBED CS(=O)(=O)C1(C(=O)N2CCC(C#N)(C(=O)O)CC2)CC1 1599744464 YUDDHONABGPKAZ-UHFFFAOYSA-N 300.336 -0.219 30 20 DBED N#Cc1ccc(NC(=O)C(=O)N2CCC(O)(C(=O)O)CC2)nc1 1601107209 UQIDVNLOOYGUBI-UHFFFAOYSA-N 318.289 -0.670 30 20 DBED C=C[C@](C)(O)c1cn(CCn2cc(-c3nn[nH]n3)cn2)nn1 1602794284 TYPGSCWJZAHSMI-LBPRGKRZSA-N 301.314 -0.252 30 20 DBED CNCCCc1[nH]nc(NC(=O)C=NOC)c1-c1nn[nH]n1 1609289383 CTUQGHJFKCZXDE-UHFFFAOYSA-N 307.318 -0.688 30 20 DBED CC(C)[C@H](C(=O)NC[C@H]1CCCN1CC(=O)NCC#N)N(C)C 1713513228 AWGIIUNYBXAJEF-UKRRQHHQSA-N 323.441 -0.207 30 20 DBED C#CCN1CCN(CCCNC(=O)CCS(C)(=O)=O)CC1 1752350145 XNDKFSKXRSLZNY-UHFFFAOYSA-N 315.439 -0.822 30 20 DBED N#CCNC(=O)CN1CCC2(CC1)C[C@H]2NC(=O)c1ncc[nH]1 1752418765 AFKCUPLUJCIFJI-LLVKDONJSA-N 316.365 -0.366 30 20 DBED C#CCNC(=O)CN[C@H](CNC(=O)c1cc(CC)[nH]n1)C1CC1 1752449112 GLUZRXRFKPPEOZ-CQSZACIVSA-N 317.393 -0.181 30 20 DBED C[C@H](NC(=O)c1cnn[nH]1)[C@@H]1CCCN(CC(=O)NCC#N)C1 1752836358 MWRIUEXOMRUHKZ-WDEREUQCSA-N 319.369 -0.725 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@@H]1CCN(C(=O)c2cn(C)cn2)C1 1752933522 GBTSXENYUYEBQK-STQMWFEESA-N 317.393 -0.390 30 20 DBED C=CCN1CC[C@H](N(C)CCNC(=O)Cc2cnn(C)c2)C1=O 1753045631 YJFXICMUFHPJSM-AWEZNQCLSA-N 319.409 -0.203 30 20 DBED C=CCN1CC[C@H](N[C@H](CC)CNC(=O)c2[nH]nnc2C)C1=O 1753480857 DWGCXXMKWQOSDC-NEPJUHHUSA-N 320.397 -0.002 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@H](C)CNC(=O)c1cnn(CC)c1 1753606592 AQDQFODPQKHVAG-QWHCGFSZSA-N 319.409 -0.004 30 20 DBED C=C(C)CNC[C@H](O)CNC(=O)Cc1c(C)nc(O)nc1O 1753932701 UNAXLTZGKKPBTR-JTQLQIEISA-N 310.354 -0.618 30 20 DBED C=CCN1CC[C@H](NC/C=C\CNC(=O)Cn2ccnc2)C1=O 1754213592 XDTGBFWROMUPER-NQHOJNORSA-N 317.393 -0.068 30 20 DBED CC#CCNC1(CNC(=O)CN(C)CC(=O)NC(C)C)CC1 1754519676 MLWHJZDEKGQMIG-UHFFFAOYSA-N 308.426 -0.296 30 20 DBED C#CCCN1CC[C@@](O)(CNC(=O)[C@@H](CC(C)C)C(N)=O)C1 1754762474 QQAGDHPFONUHOH-XJKSGUPXSA-N 309.410 -0.290 30 20 DBED C=CCN1CC[C@H](NCCN(CCO)C(=O)c2cc[nH]c2)C1=O 1754884870 WUYMHTWEEWOTCH-AWEZNQCLSA-N 320.393 -0.174 30 20 DBED CC(C)(NS(C)(=O)=O)C(=O)N1CC[C@H](CCNCC#N)C1 1754934017 HCRLDKCVCQKQFS-NSHDSACASA-N 316.427 -0.334 30 20 DBED N#CCNC1(CNC(=O)Cc2ccc(C(N)=O)nc2)CCC1 1754982902 QPYKQWNAQWFTCQ-UHFFFAOYSA-N 301.350 -0.125 30 20 DBED CC[C@]1(C(=O)N2CCC(O)(CNCC#N)CC2)CCNC1=O 1755150915 LGOCGYGNKMUGAH-HNNXBMFYSA-N 308.382 -0.631 30 20 DBED CN(CC#N)C[C@H]1CCCN1C(=O)CN1CC(=O)N(C)C1=O 1755201420 RRBONGJTJLDRCN-LLVKDONJSA-N 307.354 -0.673 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2n[nH]c(C)c2O)[C@@H]1C 1755650719 QFXGQYMYBNIZKG-GHMZBOCLSA-N 319.365 -0.634 30 20 DBED C=CCNC(=O)CN[C@@H]1C[C@@H](C)N(C(=O)c2nccnc2N)C1 1755675315 XLWFHSWUPFWGJY-GHMZBOCLSA-N 318.381 -0.446 30 20 DBED C=C(C)CCN[C@@H]1C[C@H](C)N(C(=O)c2cn(CC(N)=O)nn2)C1 1755691740 AXNHMXMXTOKIHP-NWDGAFQWSA-N 320.397 -0.078 30 20 DBED C#CCCCCC(=O)N(C)C[C@H](O)CN(C)[C@@H]1CCNC1=O 1755800262 XZYDPHBBQJKVBQ-ZIAGYGMSSA-N 309.410 -0.180 30 20 DBED C=C(C)CCC(=O)N[C@H](C)[C@@H](C)NC(=O)CS(=O)(=O)NC 1755969988 DBWUCNZBLGTQKN-GHMZBOCLSA-N 319.427 -0.099 30 20 DBED O=C(NC1(CCO)CN(C(=O)C#CC2CC2)C1)c1ccon1 1756078398 MNIHFVNCAVXQEO-UHFFFAOYSA-N 303.318 -0.219 30 20 DBED C#CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)C#CC(=O)O)CC2 1825028090 XDFXGJXOTSNJSU-MRVPVSSYSA-N 317.326 -0.224 30 20 DBED C[C@H](S)C(=O)N1CCCC12CN(C(=O)[C@@H]1CNC(=O)C1)C2 1846370694 FYNRFJHEOJGGOB-UWVGGRQHSA-N 311.407 -0.356 30 20 DBED CCOC(=O)CO/N=C(/C(=O)N(C)CCOC)c1cc[nH]n1 276647168 VXIKMYVAIBWAMH-FOWTUZBSSA-N 312.326 -0.202 30 20 DBED CC(C)(C/N=C(\N)N1CCN(c2ncccn2)CC1)OCCO 287239218 ORPDUXLGDOSZMB-UHFFFAOYSA-N 322.413 -0.299 30 20 DBED COC(=O)[C@H](CO)NS(=O)(=O)c1ccc(C#N)c(F)c1 292546112 JUUHUAXORJLPFC-JTQLQIEISA-N 302.283 -0.490 30 20 DBED C/N=C(/O)NC1CN(/C(O)=N/CC2(N3CCOCC3)CC2)C1 328693921 JTKLOLCQNDDEDO-UHFFFAOYSA-N 311.386 -0.417 30 20 DBED O=C(C/N=C(/O)CN1CCSC[C@@H]1CO)N1CCCC1 329670754 TVBUNHKBHNNMMA-NSHDSACASA-N 301.412 -0.025 30 20 DBED O=S1(=O)CCC[C@@H]1C/N=C(/O)N1CCO[C@]2(CCOC2)C1 329887108 XALYFMRLQKBBRR-DGCLKSJQSA-N 318.395 -0.031 30 20 DBED CN1CC[C@H](N/C(O)=N/CCN2CCC(N(C)C)CC2)C1=O 330497525 ZULDSXNVCNAIIP-ZDUSSCGKSA-N 311.430 -0.253 30 20 DBED CCNC(=O)CN1CCN(/C(O)=N/[C@H](C)C[S@](C)=O)CC1 330856686 TYJUXEAFSKWKFF-FIKIJFGZSA-N 318.443 -0.579 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CCN2C(=O)NC[C@@H]2C1 336943399 LHMJSPQUMICRJQ-SNVBAGLBSA-N 301.372 -0.824 30 20 DBED COCCN1CCN(S(=O)(=O)N(C)C[C@@H](C)C#N)CC1=O 336949985 SIVBGEBPBFJUGA-NSHDSACASA-N 318.399 -0.887 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H]1CCCN(C)C1=O 337076844 SMUXJSAWNQZLGX-GHMZBOCLSA-N 302.400 -0.077 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)NCC1(C(N)=O)CCCC1 337103795 YDVXTTUYLAHMPP-SNVBAGLBSA-N 302.400 -0.042 30 20 DBED N#Cc1ccc(S(=O)(=O)CCN2CCC[C@@H]2C(N)=O)nc1 344018130 FHPGEGJAKLKMHP-LLVKDONJSA-N 308.363 -0.323 30 20 DBED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC(O)CC2)cc1 345172015 KOBBRBLRZISHDV-UHFFFAOYSA-N 323.374 -0.180 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@H]([C@@H](C)N)C2)C1=O 351756628 QNPWLORLHHTDFO-ZJUUUORDSA-N 308.338 -0.841 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N1CCN([C@@H]2CCNC2)CC1 352508353 GOVIKVDADHGBRO-CHWSQXEVSA-N 309.414 -0.634 30 20 DBED C=C(C)CN(C)C(=O)C(=O)NCCCN1CCC[C@@H](C(N)=O)C1 358016692 GRDGGTAHJOTYEV-CYBMUJFWSA-N 324.425 -0.276 30 20 DBED CN1CC[C@](O)(CNC(=O)C(=O)Nc2ccc(F)c(C#N)c2)C1 358131726 WSRIXFXHINBVCH-HNNXBMFYSA-N 320.324 -0.181 30 20 DBED CN1CCC([C@@H]2CCN(C(=O)NCC(=O)NCC#N)C2)CC1 368585781 TWJWLNBDPPUJTL-CYBMUJFWSA-N 307.398 -0.001 30 20 DBED C[C@@H](O)C(=O)N1CCN(S(=O)(=O)CC(C)(C)CC#N)CC1 408460715 QOUUFLAPQZISAE-LLVKDONJSA-N 317.411 -0.219 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N1CC[C@](C)(C(=O)NC)C1 410911653 RKIZZGKBCVDHHP-HNNXBMFYSA-N 311.382 -0.368 30 20 DBED COc1cc(N2CCN(S(=O)(=O)[C@@H](C)C#N)CC2)ncn1 416465084 KIXJSFSGOFJCCM-JTQLQIEISA-N 311.367 -0.151 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N1CCN([C@@H]2CCNC2)CC1 423526630 ZTAALMROOILKBB-CQSZACIVSA-N 324.425 -0.847 30 20 DBED C=CCCn1cc(C(=O)NC[C@](C)(O)CN2CCOCC2)nn1 424698413 PSSLXJRZBUXMBD-HNNXBMFYSA-N 323.397 -0.333 30 20 DBED C=CCCn1cc(C(=O)NCc2cn(CC(=O)OC)nn2)nn1 424736565 MRMWCAWCYCYCHZ-UHFFFAOYSA-N 319.325 -0.451 30 20 DBED C#CCN1CCN(C(=O)COc2coc(CO)cc2=O)CC1 490714145 NMIHGEAANOTLSB-UHFFFAOYSA-N 306.318 -0.712 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2ccccc2O)CC1 491209939 NVERRESZDQYHQP-UHFFFAOYSA-N 301.346 -0.101 30 20 DBED CC(C)(C)OC(=O)N1CC(CC(=O)NCC(=O)NCC#N)C1 496741408 QAOQUADISDUONJ-UHFFFAOYSA-N 310.354 -0.001 30 20 DBED CCS(=O)(=O)NCCS(=O)(=O)N(CCC#N)CC1CC1 531193289 JVAAJTATYUPHDC-UHFFFAOYSA-N 323.440 -0.119 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N2CCO[C@@H]3CCC[C@@H]32)CCO1 554520792 VTXVIFBYMQQHKI-GRYCIOLGSA-N 301.368 -0.291 30 20 DBED C[C@H]1COCCN1CCNC(=O)NCCn1cnc(C#N)n1 561640090 MZMQUAIUSQTSIZ-NSHDSACASA-N 307.358 -0.830 30 20 DBED N#CCC1(CS(=O)(=O)NC[C@@H](CC(=O)O)C(=O)O)CC1 574329233 CJPZVAZPODWAPG-MRVPVSSYSA-N 304.324 -0.225 30 20 DBED Cn1c(NCCN2C[C@@H]3CC[C@H](C2)O3)c(C#N)c(=O)n(C)c1=O 575954672 VWRUAEXGAZZBEP-PHIMTYICSA-N 319.365 -0.769 30 20 DBED CC(C)[C@H](C#N)N1CCN(C(=O)CN2C(=O)CN(C)C2=O)CC1 603673967 HEUCIVPEXXSIKJ-LBPRGKRZSA-N 321.381 -0.427 30 20 DBED C=CCn1cc(C(=O)NCCCN(CC)S(C)(=O)=O)nn1 648253310 RQSFPDIRYNYCPF-UHFFFAOYSA-N 315.399 -0.135 30 20 DBED C=CC1CCN(C(=O)NCCOCCS(N)(=O)=O)CC1 665103187 MAAGTHQFUDAYJF-UHFFFAOYSA-N 305.400 -0.101 30 20 DBED C#CCNC(=O)COC(=O)Cc1c(C)nc2cc(O)nn2c1C 731448135 XXJACUMZHGDTDA-UHFFFAOYSA-N 316.317 -0.113 30 20 DBED CNC(=O)CNC(=S)NN=Cc1ccc(O)c([N+](=O)[O-])c1 731929036 KVZQOPZIDZFRRK-UHFFFAOYSA-N 311.323 -0.156 30 20 DBED C#CCCN1CCN(C(=O)Cn2nc3ccccn3c2=O)CC1 744431492 JHWJAUBNBBELLI-UHFFFAOYSA-N 313.361 -0.337 30 20 DBED N#Cc1ccc(C[C@H](C#N)C(=O)OCC(=O)NC(N)=O)cc1 795823946 JGTIJXZFQLVLSH-LLVKDONJSA-N 300.274 -0.021 30 20 DBED N#CCN1CCC(NC(=O)C(=O)NC[C@H]2CCC=CO2)CC1 805061542 KZOOAQRETKJNJJ-CYBMUJFWSA-N 306.366 -0.101 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCO[C@H](C)C2)c1=O 813178395 DNJUOYZZPFJOKI-GFCCVEGCSA-N 322.365 -0.778 30 20 DBED CCOC(=O)C(=O)N1CCN(C(=O)c2cnccc2C#N)CC1 813456905 XECISBBBIRUWKT-UHFFFAOYSA-N 316.317 -0.199 30 20 DBED C=CCNC(=O)NC(=O)CN1CCN(CCC(=O)O)C[C@@H]1C 833376540 GJYAXYRPMPMCNT-NSHDSACASA-N 312.370 -0.521 30 20 DBED N#C[C@H]1CNC[C@H]1NC(=O)CN1C(=O)NC2(CCCCC2)C1=O 834505478 LNYAEVLCNWSVOM-WDEREUQCSA-N 319.365 -0.531 30 20 DBED C#CCN(C)CCCNC(=O)NCc1nc(O)cc(CN)n1 851661361 IKNVCVNPTHQCAL-UHFFFAOYSA-N 306.370 -0.605 30 20 DBED C#CC[C@@H](CCOC)NC(=O)N1CC[C@@H](S(N)(=O)=O)C1 859018921 GDMSSROLTDRFJU-WDEREUQCSA-N 303.384 -0.513 30 20 DBED C#CCOCCNC(=O)[C@H]1CC[C@H]1C(=O)NCCOCC#C 867369968 LDRBITXDZDCIKE-OKILXGFUSA-N 306.362 -0.455 30 20 DBED CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)N1CCC[C@@H](C#N)C1 923245447 GJGZRLBYZDISJM-HBNTYKKESA-N 301.368 -0.256 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CCN(C(=O)Cc3nc[nH]n3)C2)c1 936165654 PKWMVNNIQMVIHX-SNVBAGLBSA-N 313.321 -0.422 30 20 DBED C#CCOc1ncccc1C(=O)N1C[C@@H](NCC(N)=O)[C@H](C)C1 939559825 FLZAKQRFTUCAFJ-DGCLKSJQSA-N 316.361 -0.371 30 20 DBED Cc1ncnc(O)c1C(=O)N[C@@H]1CCN(C(=O)[C@@H](C)C#N)C1 942232395 HSGGVMXVEGCSDT-WCBMZHEXSA-N 303.322 -0.019 30 20 DBED C=CCCN1CC[C@@H](NC(=O)CN2CCNC(=O)C2)[C@H](C)C1 942560357 OMPYHDYWVDLFIA-ZIAGYGMSSA-N 308.426 -0.179 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CCCCN(C(=O)C(N)=O)C2)c[nH]1 943198460 JYRNVWZAMZWQJE-SNVBAGLBSA-N 303.322 -0.517 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@H](CNC(=O)C2CCN(C)CC2)C1 944656100 YSXOAXVREXGXCB-GXTWGEPZSA-N 322.409 -0.169 30 20 DBED C[C@H](NC(=O)c1cc(C#N)c[nH]1)[C@@H]1CCCN(C(=O)C(N)=O)C1 945666929 HKXDFHHUKFBFNE-GXSJLCMTSA-N 317.349 -0.271 30 20 DBED C=C1CC(C)(C(=O)N2C[C@H]3C[C@H]2[C@@H]3NC(=O)Cn2cnnn2)C1 946646655 AEACQQMGRQRDIR-NTZNESFSSA-N 316.365 -0.255 30 20 DBED Cn1ncc(C(=O)NC[C@H]2CCN2C(=O)c2c[nH]c(C#N)c2)n1 951087539 VMUMTRFMBHATEJ-LLVKDONJSA-N 313.321 -0.341 30 20 DBED CN(C(=O)CN1CCOCC1)C1CN(C(=O)C#CC2CC2)C1 954095146 QHUDBUJHOPTTFD-UHFFFAOYSA-N 305.378 -0.599 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@](C)(NC(=O)c2c[nH]c(C(N)=O)c2)C1 956954692 ZGFCZJVUBFTDFJ-RFAUZJTJSA-N 317.349 -0.006 30 20 DBED C=CCN1CC[C@H](N2C[C@H]3C(NC(=O)c4cn[nH]c4)[C@@H]3C2)C1=O 958311202 JYSASNMIBBBLKV-UPJWGTAASA-N 315.377 -0.143 30 20 DBED C=CCN1C[C@@H]2C(NC(=O)c3nc(O)nc(O)c3OC)[C@H]2C1 962280202 LRVCTTMFXAGWTI-YUMQZZPRSA-N 306.322 -0.258 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](NC(=O)Cn2ncnn2)C(C)(C)C1 967032430 GWADALFEQHXLFF-GHMZBOCLSA-N 319.369 -0.424 30 20 DBED C[C@H]1CCN(CC#N)C[C@@H]1NC(=O)CN1CCN(C)C(=O)C1 967034657 RZIKTLINPRPIMM-STQMWFEESA-N 307.398 -0.889 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H](N(C)C(=O)c2nnn(C)n2)CC1 967631960 YGTUEDVFMOTYJN-MNOVXSKESA-N 319.369 -0.177 30 20 DBED C[C@@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)Cc1nc[nH]n1)C2 969806893 WNPMRUNGUFKYPG-DCAQKATOSA-N 302.338 -0.291 30 20 DBED C#CCN(C)[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(CCOC)C2)C1 971632340 BNBUCJCTBJFYHQ-UONOGXRCSA-N 307.394 -0.353 30 20 DBED Cc1c(C(=O)N2C[C@H]3CCN(C(=O)[C@@H](C)C#N)C[C@H]32)nnn1C 971640138 XHVRFRNNLJQEMA-MVWJERBFSA-N 316.365 -0.044 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)C[C@@H]3CCCC(=O)N3)C2)C1 972458497 KPFQLYCDBLEVPD-YOEHRIQHSA-N 319.405 -0.018 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2[C@@H]3CN(CC(=O)NC)C[C@H]23)cn1 979007848 SFCIQSPBNSTZIF-QKDCVEJESA-N 312.373 -0.284 30 20 DBED CCCn1nc(C(=O)NC2CN(C(=O)[C@H](C)C#N)C2)ccc1=O 991377881 VPFGVVDAYUTNQM-SNVBAGLBSA-N 317.349 -0.246 30 20 DBED C#CCN1CCC[C@H](NC(=O)c2nccnc2C(N)=O)[C@H]1C 994380264 WOSJNYHALWTMIE-MNOVXSKESA-N 301.350 -0.209 30 20 DBED C#CCN[C@@H]1CN(C(=O)CCc2nnc(O)nc2O)CC1(C)C 996002652 JVZAMVISIAIRPB-LLVKDONJSA-N 319.365 -0.325 30 20 DBED Cn1cc(C(=O)N2C[C@@H](NCC#N)C(C)(C)C2)c(=O)n(C)c1=O 996373269 KICPGMJQJSOBNR-LLVKDONJSA-N 319.365 -0.952 30 20 DBED NC(=O)[C@@H]1CC[C@H](C(=O)NCC2CN(C(=O)C#CC3CC3)C2)C1 1004455953 QMAOEMXXPGWNBH-KGLIPLIRSA-N 317.389 -0.124 30 20 DBED CN(C(=O)c1cnc(O)n(C)c1=O)C1CCN(CC#N)CC1 1005811427 LORYPWLKTOXDSS-UHFFFAOYSA-N 305.338 -0.454 30 20 DBED C[C@@H](C#N)C(=O)N1CCCC2(CN(C(=O)Cc3nc[nH]n3)C2)C1 1010876755 SHYHARZYEDYXJD-NSHDSACASA-N 316.365 -0.042 30 20 DBED Cn1cc(C(=O)N[C@@H]2CC23CCN(CC#N)CC3)c(O)nc1=O 1016968944 QPGXBUGUZFPHTK-LLVKDONJSA-N 317.349 -0.406 30 20 DBED COCCn1cc(C(=O)N2CCC[C@@H](N(C)CC#N)C2)nn1 1027408371 NRHPKDFTHHRXCI-GFCCVEGCSA-N 306.370 -0.016 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)c3cncnc3C)C2)C1=O 1030131744 OXSVGUJKRWNBOO-CQSZACIVSA-N 315.377 -0.014 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)[C@H]3CCN(C)C3=O)C2)C1=O 1030814791 VWURBYVLKKCNLM-CHWSQXEVSA-N 320.393 -0.948 30 20 DBED CC#CCN1CC(CNC(=O)[C@]23C[C@H]4C[C@@H](C(=O)N2)[C@H]3C4)C1 1031795749 WKRKNBPWWCWGQU-ZCTGUTNYSA-N 301.390 -0.028 30 20 DBED C=CCCN1CC[C@@H](N(C)C(=O)CN2C(=O)C(=O)N(C)C2=O)C1 1033470517 YDKJGKYTIPGYFY-LLVKDONJSA-N 322.365 -0.484 30 20 DBED CC#CCN1CCO[C@H](CNC(=O)c2cn(CCOC)nn2)C1 1035362532 TVBDTEAHVQRTLI-CYBMUJFWSA-N 321.381 -0.622 30 20 DBED COCCn1cc(C(=O)NC[C@H]2CN(CC#N)CCO2)c(C)n1 1035370364 NYLUGCXJEZGRQK-ZDUSSCGKSA-N 321.381 -0.208 30 20 DBED C#CCN1CCC(C(=O)N2CC[C@@H](NCC(N)=O)[C@@H](C)C2)CC1 1036309783 GXWSIZJYTSWYJZ-DZGCQCFKSA-N 320.437 -0.357 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)c3cnc(O)n(C)c3=O)CC[C@@H]21 1036789954 ACCLNXXKMJDZPP-YPMHNXCESA-N 316.361 -0.345 30 20 DBED C#CCCCC(=O)NC[C@]1(O)CCN(C(=O)c2cnn(C)n2)C1 1039574570 VWLOSLWRSCBDNM-OAHLLOKOSA-N 319.365 -0.688 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)CCCC(C)=O)C1 1041447181 DELLDBUYBKYEIA-UHFFFAOYSA-N 312.366 -0.362 30 20 DBED CC(C)(C)C#CC(=O)N1CC(O)(CNC(=O)c2cc[nH]n2)C1 1041601206 FLBMVYOGAYTELX-UHFFFAOYSA-N 304.350 -0.238 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)COC(C)(C)C)C1 1042039910 LPFFGYIUXABGLL-UHFFFAOYSA-N 314.382 -0.306 30 20 DBED C=CCN1CC[C@@H](N2CC(N(C)C(=O)c3cn(C)cn3)C2)C1=O 1042614125 BMQQBDPWOZMQAG-CQSZACIVSA-N 317.393 -0.037 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)[C@@H](C)n2cccn2)C1 1042936779 PONGMUZPDIQDOJ-CYBMUJFWSA-N 318.377 -0.207 30 20 DBED O=C(C#CC1CC1)NCC1(O)CN(C(=O)[C@H]2CCCOC2)C1 1042958968 QOMBERYZWGNIOG-ZDUSSCGKSA-N 306.362 -0.484 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)C2CCOCC2)C1 1043040541 UQAILDRJRPRFAL-LBPRGKRZSA-N 324.377 -0.859 30 20 DBED C[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)C[C@H]1Nc1ncccc1C#N 1043474696 PVRWMMMGXKMRKV-YUSALJHKSA-N 314.349 -0.107 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)c3cnsn3)C2)nc1 1043864124 SGCHEYOICRIMRR-MNOVXSKESA-N 316.346 -0.216 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)Cc2cnn(C)c2)C1 1044483920 CZJZWTRAPRNGBK-UHFFFAOYSA-N 320.393 -0.136 30 20 DBED C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1044547126 LUOXMFWPSAYUJS-WUWHUORYSA-N 317.349 -0.561 30 20 DBED C[C@H]1C[C@@H](NCC#N)CCN1C(=O)CN1C(=O)NC(C)(C)C1=O 1044844535 LMYVWLMVJTXNKF-QWRGUYRKSA-N 321.381 -0.191 30 20 DBED CCc1cnc(CC(=O)N2CC(O)(CNC(=O)[C@H](C)C#N)C2)[nH]1 1045565198 SXIWLPYFISWGSH-SNVBAGLBSA-N 319.365 -0.636 30 20 DBED C=C(C)CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CN(C)CCO2)C1 1047333811 PKKRJIMQIDRPKI-KKUMJFAQSA-N 311.426 -0.213 30 20 DBED C=C(C)CN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCN(C)C(=O)C2)C1 1047434024 TZRWZYDRCCDFGC-RDBSUJKOSA-N 309.410 -0.066 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C2CC2)N2CCCC2)C1 1047470448 PAYOAPYREYETSA-JYJNAYRXSA-N 305.422 -0.003 30 20 DBED CC[C@H]1CCCN1C(=O)C(=O)N(C)[C@H]1CN(CC#N)C[C@@H]1O 1047588900 VANDWGUPODPLOO-AVGNSLFASA-N 308.382 -0.586 30 20 DBED C=CCCOCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCOC)C1 1048002943 GNYQBCYLSMXBPE-STQMWFEESA-N 314.382 -0.354 30 20 DBED C=C[C@@](C)(O)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2ncc[nH]2)C1 1048793831 JEGLXNRFAJMJEV-ZIBATOQPSA-N 322.365 -0.620 30 20 DBED C#CCN1C[C@@H]2CCCN(C(=O)C3CC(=O)NC(=O)C3)[C@@H]2C1 1050161160 JXPDQLAAOVLQQA-WCQYABFASA-N 303.362 -0.405 30 20 DBED C[C@@H]1[C@@H](NC(=O)c2cnnn2C)CCN1c1cncc(C#N)n1 1050215892 YTYPHOKNBYCQFI-KOLCDFICSA-N 312.337 -0.126 30 20 DBED CC#CCN1CCOC[C@H]1CNC(=O)c1cccn2nnnc12 1050935237 XZJGTWFQMGGKOY-GFCCVEGCSA-N 314.349 -0.422 30 20 DBED C=C(Cl)CN1CC2(C1)CN(C(=O)CS(C)(=O)=O)CCO2 1053170026 YIFPBAVKVMFDLY-UHFFFAOYSA-N 322.814 -0.303 30 20 DBED C#Cc1ccc(C(=O)N2CCOC3(CN(C[C@@H](C)O)C3)C2)cn1 1053511619 AJEWRAAMQWYTTL-CYBMUJFWSA-N 315.373 -0.030 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)[C@@H](C)n3cncn3)CO2)C1 1053782094 DZNVSJWKWUYDIS-CHWSQXEVSA-N 303.366 -0.178 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)c3cn4cccnc4n3)CO2)C1 1053855488 OEFFWTNWJFYHAQ-GFCCVEGCSA-N 311.345 -0.064 30 20 DBED N#Cc1ccc(CN2CC3(C[C@H](NC(=O)C(N)=O)CO3)C2)cc1 1053911538 GTCRBCOOLIJAME-ZDUSSCGKSA-N 314.345 -0.497 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)c3ccc(C(N)=O)s3)CO2)C1 1053954870 UUVVMCUQXOYZTR-SECBINFHSA-N 320.374 -0.056 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)c3ccc(=O)n(C)n3)CO2)C1 1054002048 PWXFQSQZLTXMQQ-GFCCVEGCSA-N 316.361 -0.623 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)[C@@H]3CCCN3C(N)=O)CO2)C1 1054025302 VPBWVRWVDFZCPM-QWRGUYRKSA-N 307.354 -0.987 30 20 DBED N#Cc1cncc(N2C[C@H]3[C@H](NC(=O)c4nccnc4N)[C@H]3C2)n1 1056152428 HZKALMUTOSFJKJ-IAZYJMLFSA-N 322.332 -0.415 30 20 DBED CCn1ncc(C(=O)N[C@H]2[C@@H]3CN(c4nccnc4C#N)C[C@@H]32)n1 1056203660 UGUDDFDFXXNWFN-IWIIMEHWSA-N 324.348 -0.176 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC[C@H]2[C@@H]1CCCN2C(=O)C(N)=O 1056537413 JZNUYXFAEITWFQ-PGUXBMHVSA-N 309.366 -0.609 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)c1n[nH]cc1F 1057196827 XOPKNELXDJQWAS-UHFFFAOYSA-N 314.317 -0.698 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H]1CCCN(C(=O)Cn2cnnn2)C1 1057585532 GFIXPKDPUURKDX-GFCCVEGCSA-N 312.337 -0.535 30 20 DBED C[C@@H](N=c1cc[nH]c(C#N)n1)[C@H]1CCCCN1C(=O)CC(N)=O 1058004186 GXHJUPZAKJKQEV-GHMZBOCLSA-N 316.365 -0.173 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)Cc1cncn1C 1058159306 DIOGXHFJUAEHMH-LLVKDONJSA-N 307.354 -0.941 30 20 DBED N#Cc1cccnc1N1CC[C@H](NC(=O)C2CS(=O)(=O)C2)C1 1058456395 NGEIUIOTFQPYJI-LBPRGKRZSA-N 320.374 -0.307 30 20 DBED CN(C[C@@H]1CCCN(C(=O)CC(N)=O)C1)c1ccnc(C#N)n1 1058681534 DKUPDLLGQDQLSA-NSHDSACASA-N 316.365 -0.102 30 20 DBED C=CCOCC(=O)NCc1ccccc1CN(C)C(=O)C(N)=O 1060486289 MYCQCCFCMOIDAE-UHFFFAOYSA-N 319.361 -0.051 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 1060972281 HGVFNYOHTFSXKE-ZWNOBZJWSA-N 314.349 -0.683 30 20 DBED C#CCCCC(=O)N1CCOC[C@@H]1CNC(=O)CN(C)C(C)=O 1061323359 OVQXWDQHMSEAFB-AWEZNQCLSA-N 323.393 -0.388 30 20 DBED C=CCCC(=O)N1CCOC[C@@H]1CNC(=O)[C@H]1CCC(=O)N1 1061416376 IWPSZDTZMOOHML-NWDGAFQWSA-N 309.366 -0.425 30 20 DBED C=CCOCC(=O)NC[C@H]1COCCN1C(=O)[C@H]1CCOC1 1061421717 SSPLJKULIRPMJC-STQMWFEESA-N 312.366 -0.431 30 20 DBED C#CCCCC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1COC(=O)N1 1061540397 JYWZOVIVIUQODY-RYUDHWBXSA-N 323.349 -0.758 30 20 DBED C#CCO[C@H](C)C(=O)N1CCOC[C@@H]1CNC(=O)c1cnco1 1061731868 YORVUFHWTYGSOX-NEPJUHHUSA-N 321.333 -0.330 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)c1cnn(C)c1 1061846078 MZTKOYQPEVYXIY-JQWIXIFHSA-N 305.338 -0.463 30 20 DBED C=CCOCC(=O)N1CCOC[C@@H]1CNC(=O)Cc1cnc[nH]1 1061930623 SZIXIRNVZYMGIT-ZDUSSCGKSA-N 322.365 -0.502 30 20 DBED Cn1nncc1C(=O)N1C[C@@H]2CC[C@H](C1)N2c1ccc(C#N)nn1 1061958743 JMUJRAOUPDRGNC-TXEJJXNPSA-N 324.348 -0.030 30 20 DBED N#Cc1ccc(N2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CNC(=O)N2)nc1 1062569407 KNPGKAZTUIODHP-SRVKXCTJSA-N 312.333 -0.576 30 20 DBED N#Cc1cncc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)c2nccnc2N)n1 1064225496 JKSPGEBJLVYRIW-UBHAPETDSA-N 322.332 -0.272 30 20 DBED COCCC(=O)N1CCO[C@H](CNC(=O)CSCC#N)C1 1064705907 NNQIQIVRVPFMEE-LLVKDONJSA-N 315.395 -0.377 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CN(C(=O)CCn2cncn2)CCO1 1064862966 MOVGOUQZKTWEOX-NWDGAFQWSA-N 320.353 -0.829 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)[C@H]2CCOC2)CCO1 1064935690 WITLKVPQCAAGLX-QWHCGFSZSA-N 312.366 -0.431 30 20 DBED Cc1ncn(C)c1C(=O)N1CCO[C@H](CNC(=O)[C@H](C)C#N)C1 1065266168 WOSGZRHXRNUHJO-ZYHUDNBSSA-N 319.365 -0.155 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)Cc2ccon2)C1 1065555832 AIUKSMKLKMQPGC-JQWIXIFHSA-N 306.322 -0.280 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CCCN(C(=O)Cn2cnnn2)CC1 1066476212 WWPFFTHCKAKWOQ-WDEREUQCSA-N 305.342 -0.670 30 20 DBED N#Cc1nccnc1N1C[C@H](CNC(=O)c2ccon2)[C@@H](O)C1 1067652311 BOIBHOFZOVLHJB-CABZTGNLSA-N 314.305 -0.437 30 20 DBED C#CCCCCC(=O)N1CCOC2(C1)CN(C(=O)C(N)=O)C2 1068384270 QIKIKETZHOHYPP-UHFFFAOYSA-N 307.350 -0.895 30 20 DBED C=CCOCC(=O)N[C@H]1COC2(C1)CN(C(=O)[C@@H]1CCOC1)C2 1068764421 QJDMUOCJRGMFGE-CHWSQXEVSA-N 324.377 -0.288 30 20 DBED COC1CC(C(=O)N2C[C@H](n3ccnn3)[C@H](NCC#N)C2)C1 1070214211 KCZSYZCEEMVLOV-TUUUFIMRSA-N 304.354 -0.432 30 20 DBED C#CCN[C@@H]1CN(C(=O)Cn2cncc2C)C[C@@H]1n1ccnn1 1070234780 HLGSJDXLAUUIDZ-KGLIPLIRSA-N 313.365 -0.542 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)c2cnn(CC)n2)CC1 1070959844 KPBWYQHWCHQHNC-UHFFFAOYSA-N 320.397 -0.252 30 20 DBED C=CCCN1C[C@H](NC(=O)Cn2cnc(C(N)=O)n2)CC[C@H]1C 1071516578 AHFYDRDSKSLYQT-VXGBXAGGSA-N 320.397 -0.078 30 20 DBED CC#CCCCC(=O)N[C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1C 1071555850 FOEHVAADDZQIRZ-VXGBXAGGSA-N 308.382 -0.189 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C 1071654369 GYOMYNBKGQOWFP-MWLCHTKSSA-N 312.395 -0.658 30 20 DBED COC(=O)NCC(=O)N[C@@H]1CN(C(=O)C#CC(C)C)C[C@@H]1C 1072036684 ZBDNPMHVCKTWIP-NWDGAFQWSA-N 309.366 -0.035 30 20 DBED C[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1NC(=O)c1nnn(C)n1 1072064063 SNFILVJFIZVVKS-GHMZBOCLSA-N 318.381 -0.164 30 20 DBED C=CCCC(=O)N[C@@H]1CN(C(=O)c2nnc(O)nc2O)C[C@@H]1C 1072453923 QMGVOMOMJBFUDB-DTWKUNHWSA-N 321.337 -0.174 30 20 DBED CC#CCCCC(=O)N1C[C@H](C)[C@@H](NC(=O)Cn2cnnn2)C1 1072553949 BNQGAERTJBUKEF-STQMWFEESA-N 318.381 -0.170 30 20 DBED CC(C)C#CC(=O)N1CC[C@H](NC(=O)Cn2cnnn2)[C@@H](C)C1 1073692697 PWPAOZNTQATVHJ-STQMWFEESA-N 318.381 -0.314 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)c2ccc(C(N)=O)[nH]2)C1 1073767443 YRHOUVPZEOUGFE-NSHDSACASA-N 304.350 -0.433 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2CN(CCO)CCCO2)cn1 1073865455 JATLCHLHGSGHNJ-HNNXBMFYSA-N 303.362 -0.124 30 20 DBED CC#CCN1C[C@@H]2CCN(C(=O)[C@H]3CN(C(C)=O)CCO3)[C@@H]2C1 1076517656 QPBHIJLZIQVMDP-ARFHVFGLSA-N 319.405 -0.210 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2cc(O)nc3ncn(C)c23)C1 1077117018 IXRRFWNWGMBGRQ-GHMZBOCLSA-N 315.333 -0.918 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)C2CCN(CC(F)F)CC2)C1 1077575122 HZYMHCQQGXICTF-VXGBXAGGSA-N 316.352 -0.352 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN(CC(=O)NC3CC3)C[C@H]2O)C1 1077642128 XLWOWWKPPKUETN-CHWSQXEVSA-N 307.394 -0.217 30 20 DBED C[C@@H](CCNC(=O)[C@@H](C)C#N)NC(=O)C1CC(=O)NC(=O)C1 1078130593 HHPSGMRSGHZKMJ-IUCAKERBSA-N 308.338 -0.790 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H](C)CCNC(=O)Cc1nonc1C 1078163731 CJXAXIXWEQPIAF-CMPLNLGQSA-N 322.365 -0.030 30 20 DBED C=CC(C)(C)C(=O)N(CC)C1CN(C(=O)[C@@H]2CNC(=O)N2)C1 1080220623 OMZBQNUHJRACOR-NSHDSACASA-N 308.382 -0.061 30 20 DBED C=CCCC(=O)N1CCC(CO)(NC(=O)c2nc[nH]n2)CC1 1080941489 IXXIVSVZURIXEM-UHFFFAOYSA-N 307.354 -0.146 30 20 DBED CC#CCN1C[C@@H](NC(=O)Cn2ccccc2=O)[C@H](OC)C1 1082364643 MYZHHRLBHKBYBB-ZIAGYGMSSA-N 303.362 -0.313 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)Cc2ccc3c(c2)COC3)C1 1083995926 ASHMFTMUZPTGAJ-CABCVRRESA-N 301.346 -0.056 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]2CCN(Cc3nc(=O)n(C)[nH]3)[C@H]2C1 1084906518 WDAOMSNRAHMESO-UTUOFQBUSA-N 318.381 -0.309 30 20 DBED C#CCN1CC[C@@H]1CN(C)C(=O)c1ccc(-n2cnnn2)cn1 1085740753 AFXRBVHCGIOZEN-CYBMUJFWSA-N 311.349 -0.163 30 20 DBED C=CCCN1CC[C@@H]2CN(C(=O)CN3CC(=O)NC3=O)C[C@@H]2C1 1088143058 RPMJETQSSMIOJM-OLZOCXBDSA-N 320.393 -0.105 30 20 DBED N#CCN[C@H]1CCCCCN(C(=O)CC[C@H]2NC(=O)NC2=O)C1 1088422216 KADPBSBFOHXCDV-NWDGAFQWSA-N 321.381 -0.141 30 20 DBED C=CCN1CC[C@H](NC(=O)c2nc3ncc(C)cn3n2)[C@@H](O)C1 1090348787 FTENEZUUPNSBPZ-RYUDHWBXSA-N 316.365 -0.216 30 20 DBED CO[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1NC(=O)CCN(C)C 1090936308 FVBMXGNEXPXFBE-CHWSQXEVSA-N 318.381 -0.380 30 20 DBED C=CCn1cc(C(=O)NCC2CC(N[C@@H]3CCNC3=O)C2)nn1 1091271746 YLINCBNDXCKQND-HTAVTVPLSA-N 318.381 -0.549 30 20 DBED Cc1cc(=N[C@@H]2CC[C@H](CNC(=O)C(N)=O)C2)c(C#N)c[nH]1 1091630581 ULRRDMLDNUOZNU-CMPLNLGQSA-N 301.350 -0.134 30 20 DBED C#CCN1C[C@@H]2CN(C(=O)CN3CCCNC3=O)C[C@]2(C)C1 1091817803 YLGWOJJVUSMUQA-CJNGLKHVSA-N 304.394 -0.185 30 20 DBED Cc1cc(=NCCNC(=O)[C@H]2CN(C)CCO2)c(C#N)c[nH]1 1093542895 SCGUMFULFKHOEX-CQSZACIVSA-N 303.366 -0.458 30 20 DBED Cc1cc(C#N)nc(NCCCNC(=O)C2CS(=O)(=O)C2)n1 1094611263 XSZKGQYIUCIYJY-UHFFFAOYSA-N 323.378 -0.381 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)c3cc(C)[nH]n3)CC2=O)C1 1094712762 ZWWFSDIGDLAEGU-LLVKDONJSA-N 303.366 -0.081 30 20 DBED CC#CCN1CC(N2C[C@@H](NC(=O)c3nonc3C)CC2=O)C1 1094820307 HITXQIJHKPLCAQ-NSHDSACASA-N 317.349 -0.584 30 20 DBED CN(c1ccc(C#N)nn1)[C@@H]1CCN(C(=O)CNC(N)=O)C1 1095091654 RJAHMJRYOANBNM-SNVBAGLBSA-N 303.326 -0.946 30 20 DBED C#CCNC(=O)CC(=O)N1CCCN(c2ccc(C)nn2)CC1 1095177534 XKEIWEZWCVAJFG-UHFFFAOYSA-N 315.377 -0.037 30 20 DBED CN(CCCNC(=O)[C@H]1CCC(=O)N1C)c1ccnc(C#N)n1 1095707252 VLTGQRVNHXUFJX-LLVKDONJSA-N 316.365 -0.088 30 20 DBED C[C@H](CC(N)=O)C(=O)N[C@H]1C[C@@H](Nc2nccnc2C#N)C1 1097240853 VRZYOASPLSBOLM-BBBLOLIVSA-N 302.338 -0.081 30 20 DBED C#CCCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1C(=O)CNC1=O 1098343434 ALIUCYCHPONEIT-UTUOFQBUSA-N 304.350 -0.717 30 20 DBED N#CCN(CCO)C1CCN(C(=O)CO[C@H]2CCOC2)CC1 1098369867 XCHLLBILAIBBNE-AWEZNQCLSA-N 311.382 -0.399 30 20 DBED C#CCNCc1cn([C@@H]2CCN(C(=O)Cn3nccn3)C2)nn1 1098678644 LAFVPMVBCUGPMY-CYBMUJFWSA-N 314.353 -0.934 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@H](n2cc(CNCC(N)=O)nn2)C1 1098697993 NLMLNMIMBZQHGC-LBPRGKRZSA-N 320.397 -0.161 30 20 DBED C[C@@H](CCNC(=O)[C@@H]1CCNC1=O)Nc1cncc(C#N)n1 1099617223 SELKXGLWQLKEPN-ONGXEEELSA-N 302.338 -0.209 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)c2ccccc2)[C@@H](O)C1 1099622679 BSBBUVLFMJLSMQ-GJZGRUSLSA-N 315.373 -0.399 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)c2ccccc2)[C@H](O)C1 1099622680 BSBBUVLFMJLSMQ-HUUCEWRRSA-N 315.373 -0.399 30 20 DBED CCc1cc(C(=O)N[C@H]2CCN(CC#CCOC)C[C@H]2O)n[nH]1 1099675830 RJRNRABELPRTCW-DZGCQCFKSA-N 320.393 -0.213 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(Cc2cnn(C)c2)C[C@H]1O 1099741336 RKUIUVSJBUCDEH-UONOGXRCSA-N 308.382 -0.326 30 20 DBED COCCOCCN1CC[C@@H](NC(=O)C#CC(C)C)[C@@H](O)C1 1099821150 QCVXAHZOMXTZFT-CABCVRRESA-N 312.410 -0.140 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCN(Cc2cnns2)C[C@H]1O 1099835518 JFOMKQROLNFBOW-CHWSQXEVSA-N 324.406 -0.371 30 20 DBED COCC#CCN1CC[C@H](NC(=O)C2(N(C)C)CCC2)[C@H](O)C1 1099872511 VGTNYLNTLABJRR-LSDHHAIUSA-N 323.437 -0.328 30 20 DBED C#CCN1CC[C@H](NC(=O)COCc2cc(C)on2)[C@H](O)C1 1099889710 FFDZLJQEIJVBTG-UONOGXRCSA-N 307.350 -0.316 30 20 DBED Cc1cc(C#N)nc(N(C)CCNC(=O)[C@H]2CCC(=O)N2)n1 1099965404 PPWDTQROEDNYMZ-LLVKDONJSA-N 302.338 -0.512 30 20 DBED C#CCCN1CC[C@H](NC(=O)C(C)(C)S(C)(=O)=O)[C@H](O)C1 1100021764 CECSUMPFTWHVCQ-NWDGAFQWSA-N 316.423 -0.616 30 20 DBED CCN1CCO[C@@H](C(=O)NCCN(C)c2cnc(C#N)cn2)C1 1100135401 QEMGWSILCJXPBG-CYBMUJFWSA-N 318.381 -0.379 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)CCCC(N)=O)[C@H](O)C1 1100142528 DQTXOLZXYCQZNZ-CHWSQXEVSA-N 313.398 -0.604 30 20 DBED CN(CCNC(=O)C[C@H]1CCCC(=O)N1)c1cncc(C#N)n1 1100411920 AFHHMPVXYJFFNM-LLVKDONJSA-N 316.365 -0.041 30 20 DBED CC(=O)N[C@@H](C)C(=O)NC[C@H]1CCCN1c1nccnc1C#N 1100776962 WDHGZWHXSRDENA-CMPLNLGQSA-N 316.365 -0.042 30 20 DBED C[C@H](NS(C)(=O)=O)C(=O)N1C[C@H]2CN(CC#N)C[C@@]2(C)C1 1101375587 ZXDKXOFGCLVEMA-LOWVWBTDSA-N 314.411 -0.772 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H]1CN(CC#CCOC)C[C@H]1C 1101900050 GHHDSCJLCUBPMV-HUUCEWRRSA-N 319.405 -0.540 30 20 DBED CN(CCNc1ncccc1C#N)C(=O)C[C@@H]1NC(=O)NC1=O 1102017285 PLTKNPAQEZTHEM-JTQLQIEISA-N 316.321 -0.578 30 20 DBED CN(C(=O)C1(C(N)=O)CC1)[C@@H]1CCN(c2ccnc(C#N)n2)C1 1102755819 ICOFYYNZGDBBTE-SNVBAGLBSA-N 314.349 -0.349 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H]1CN(c2nccnc2F)CCO1 1104330219 KIKFRSVUBFPPBV-NWDGAFQWSA-N 322.340 -0.025 30 20 DBED CNC(=O)NCC(=O)N(C)[C@H](C)CN=c1cc[nH]cc1C#N 1104856486 UAQSXZXXYUJZNU-SNVBAGLBSA-N 304.354 -0.437 30 20 DBED C#CCNCc1cn(C2CN(C(=O)C[C@@H]3COC(=O)C3)C2)nn1 1105210913 CKTFUVMNMLICMP-NSHDSACASA-N 317.349 -0.663 30 20 DBED C#CCNCc1cn(C2CN(C(=O)CCCC(=O)NC)C2)nn1 1105219723 NFKILHRYJCNBBU-UHFFFAOYSA-N 318.381 -0.700 30 20 DBED C#CCNCc1cn(C2CN(C(=O)[C@@H](C3CC3)N(C)C)C2)nn1 1105259553 DFKZCZHMAXPMQY-OAHLLOKOSA-N 316.409 -0.276 30 20 DBED C#CCNCc1cn(C2CN(C(=O)c3[nH]c(O)nc3C)C2)nn1 1105264830 QQDBQADUAPQYAA-UHFFFAOYSA-N 315.337 -0.565 30 20 DBED CN(CCN(C)c1cncc(C#N)n1)C(=O)[C@H]1CC[C@H]1C(N)=O 1105521552 NQKQRAGQKHQKOI-NEPJUHHUSA-N 316.365 -0.246 30 20 DBED N#Cc1cnc(NC[C@@H]2CCC[C@@H]2NC(=O)CNC(N)=O)cn1 1105654197 GTHOOVISNKYLPH-ONGXEEELSA-N 317.353 -0.287 30 20 DBED Cc1ncc(C(=O)NC[C@H](O)CN=c2cc[nH]c(C#N)n2)s1 1105740413 YRAXCZKXYZFETE-SECBINFHSA-N 318.362 -0.262 30 20 DBED Cc1cc(=NC[C@H](O)CNC(=O)[C@H]2CCCOC2)c(C#N)c[nH]1 1105742782 UJZQKUYTRLQZPH-JSGCOSHPSA-N 318.377 -0.001 30 20 DBED Cc1ccc(C(=O)NC[C@H](O)CN=c2cc[nH]cc2C#N)nn1 1105826378 DLHHFWXMHRMQPT-GFCCVEGCSA-N 312.333 -0.324 30 20 DBED C[C@](O)(CC(=O)NC[C@H](O)CNc1ccc(C#N)nn1)C1CC1 1105826877 LYEMROIROQOLTL-DOMZBBRYSA-N 319.365 -0.212 30 20 DBED CN1C(=O)CC[C@@H]1C(=O)NC[C@H](O)CNc1ccc(C#N)nc1 1106070694 ZRXKZAQESOLMMW-CHWSQXEVSA-N 317.349 -0.537 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)[C@H]2COC(=O)N2)C[C@H]1C 1106075385 GUYUCTPWEJYCRX-JHJVBQTASA-N 309.366 -0.571 30 20 DBED CCN(CCN=c1cc(C)[nH]cc1C#N)C(=O)CS(C)(=O)=O 1106686523 TYRJFYYGDKMNLL-UHFFFAOYSA-N 324.406 -0.011 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)[C@H]1CCCNC1=O 1106867747 FAQVROYQXVWRSM-NSHDSACASA-N 316.365 -0.443 30 20 DBED C#CCN1CCC(C(=O)N2C[C@@H](C)[C@H](CNCC(N)=O)C2)CC1 1107030381 BFTSKTGCHYDZTE-UKRRQHHQSA-N 320.437 -0.499 30 20 DBED CNC(=O)CN1CCO[C@](C)(CNC(=O)CSCC#N)C1 1107751872 LJVDYLREAADPPZ-CYBMUJFWSA-N 314.411 -0.804 30 20 DBED COCC#CCN1CCO[C@](C)(CNC(=O)[C@@H]2CCCN2C)C1 1107816798 IATMMJJGLSPMET-DOTOQJQBSA-N 323.437 -0.063 30 20 DBED C[C@]1(CNC(=O)c2ccoc2CC(N)=O)CN(CC#N)CCO1 1108162328 SDYWUVDUNMQCFM-HNNXBMFYSA-N 320.349 -0.348 30 20 DBED CC#CCN1CCO[C@@](C)(CNC(=O)CCn2cnnn2)C1 1108303336 VGVQWOLKNMEVRU-AWEZNQCLSA-N 306.370 -0.706 30 20 DBED C[C@H](CN1CCOCC1)C(=O)NC[C@]1(C)CN(CC#N)CCO1 1108400824 KQYMQIOQPFGSHT-GDBMZVCRSA-N 324.425 -0.315 30 20 DBED C=CCCCC(=O)N[C@H]1CC(=O)N(C2CN([C@@H](C)C(N)=O)C2)C1 1108568150 LETAWBNKHZUFHA-RYUDHWBXSA-N 322.409 -0.382 30 20 DBED CC(=O)N[C@@H](C)C(=O)N[C@H](C)CN(C)c1ccc(C#N)nn1 1108818400 MXDSWQWLXSMXFM-ZJUUUORDSA-N 304.354 -0.186 30 20 DBED CN(CCCNc1ccc(C#N)nn1)C(=O)[C@@H]1CNC(=O)N1 1109599074 XAAFLMLIDQBVAS-JTQLQIEISA-N 303.326 -0.710 30 20 DBED C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NC(N)=O 1110390428 MXAKSHMKZRBSQA-MXWKQRLJSA-N 310.354 -0.895 30 20 DBED C#CCN(C(=O)C(N)=O)C1CCN(c2cc(F)ncn2)CC1 1110628449 CGRPUTPUVRJGQF-UHFFFAOYSA-N 305.313 -0.468 30 20 DBED C#CCNC(=O)CC(=O)N[C@@]1(C)CCN(c2cnc(F)cn2)C1 1110741799 NXASSHODYYLAFG-HNNXBMFYSA-N 319.340 -0.160 30 20 DBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1n[nH]cc1F 1110989200 HVQJTWXQNRVDEQ-IEBDPFPHSA-N 320.328 -0.476 30 20 DBED COC[C@H](C)C(=O)N(CCO)CCNc1nccnc1C#N 1111438417 WWGUNSROLWGUHS-NSHDSACASA-N 307.354 -0.136 30 20 DBED N#Cc1nccnc1NCCN(CCO)C(=O)c1cnco1 1111534212 YWBUKRHVWIBLAR-UHFFFAOYSA-N 302.294 -0.117 30 20 DBED Cc1cc(N2CCOC[C@@H]2CNC(=O)CC(N)=O)c(C#N)cn1 1111679139 FVGIJDSJHBWVGX-LBPRGKRZSA-N 317.349 -0.542 30 20 DBED C=CCOCC(=O)N1CCN(Cc2nnnn2CCC)CC1 1112710634 DORKDVMQWFXPGZ-UHFFFAOYSA-N 308.386 -0.070 30 20 DBED C#CCO[C@H](C)C(=O)N1CCN(CCN2C(=O)CCC2=O)CC1 1112841728 KGPNWYSVUDMQLE-CYBMUJFWSA-N 321.377 -0.682 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 1113345644 APVZLZHHGPGCMV-CABCVRRESA-N 320.437 -0.390 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCN(C[C@@H](O)Cn2cccn2)CC1 1113714580 HDJVMDJDWAXJQZ-LSDHHAIUSA-N 322.409 -0.021 30 20 DBED CCc1ocnc1C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1114086530 YBOYTVHEGUYTCG-IWIIMEHWSA-N 317.349 -0.463 30 20 DBED C#CCCCCC(=O)NC1[C@H]2CN(CC(=O)NCC#C)C[C@H]12 1114159675 JVENPNGNNSTTFJ-KBPBESRZSA-N 301.390 -0.024 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@H]2CN(Cc3cnc(C)o3)C[C@H]12 1114160103 ROLVENODKTYFIA-STQMWFEESA-N 316.361 -0.331 30 20 DBED C=CCCCN1C[C@@H]2C(NC(=O)CCNS(C)(=O)=O)[C@H]2C1 1114361429 NLDFOLDRLJIIJM-RYUDHWBXSA-N 315.439 -0.062 30 20 DBED C=C(Cl)CN1C[C@H]2C(NC(=O)CN(C)C(=O)COC)[C@@H]2C1 1114365918 HNVZFOTYTMQHKO-GHMZBOCLSA-N 315.801 -0.110 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)[C@H]3CCCC(=O)N3)[C@H]2C1 1114445273 NEJDWGJOHAKMFF-COMQUAJESA-N 305.378 -0.649 30 20 DBED C=CCOCCN1C[C@H]2C(NC(=O)[C@@H]3CN(C)C(=O)N3)[C@@H]2C1 1114671804 JZZICAXCIFZFQT-UTUOFQBUSA-N 308.382 -0.741 30 20 DBED COC[C@H](C)CC(=O)NC1[C@H]2CN(CC(=O)NCC#N)C[C@H]12 1115053217 MVGLAJPJIWUHSJ-WOPDTQHZSA-N 308.382 -0.655 30 20 DBED C=CCN1C[C@@H]2C(NC(=O)CS(=O)(=O)NC(C)(C)C)[C@H]2C1 1115254435 NPHICZVDAOUIGJ-QWRGUYRKSA-N 315.439 -0.063 30 20 DBED C=CCCOCC(=O)N[C@H]1[C@@H]2CN(CCS(C)(=O)=O)C[C@@H]21 1115324973 ZCEJHEDVYUFAGI-IMRBUKKESA-N 316.423 -0.330 30 20 DBED CO[C@@H](C)C(=O)NCCOCCCN=c1cc[nH]c(C#N)n1 1115385319 IIHNCBCJKRGYKA-NSHDSACASA-N 307.354 -0.260 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)C2CCOCC2)CC1 1119054552 RNIJQTKWZMNIEB-UHFFFAOYSA-N 315.395 -0.975 30 20 DBED N#Cc1c[nH]ccc1=N[C@H](CO)CNC(=O)c1ccc(O)nn1 1121178537 UYCUZAVZXIWYHP-JTQLQIEISA-N 314.305 -0.926 30 20 DBED N#Cc1cnc(N[C@H](CO)CNC(=O)c2ccc(O)nn2)cn1 1121178592 VHPXWJKCQAKSCD-VIFPVBQESA-N 315.293 -0.953 30 20 DBED Cn1nccc1C(=O)NC[C@@H](CO)Nc1ccc(C#N)nc1 1121178654 WBODQPQPPSFLHO-LBPRGKRZSA-N 300.322 -0.110 30 20 DBED CC(C)[C@H](C(=O)NC[C@H](CO)Nc1cncc(C#N)n1)N(C)C 1121838646 JLPNSQDCGQCKIF-TZMCWYRMSA-N 320.397 -0.177 30 20 DBED N#Cc1cnc(N[C@@H](CO)CNC(=O)COCC(F)F)cn1 1122256205 TVAMOJAKXGWPQT-SECBINFHSA-N 315.280 -0.481 30 20 DBED C[C@@H]1CCO[C@@H]1C(=O)NC[C@H](CO)Nc1nccnc1C#N 1122584141 DAVJIVRIZGDZQA-FOGDFJRCSA-N 305.338 -0.338 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C[C@H](O)CNc1cnc(F)cn1 1124519026 GONIMTTYKXAXHY-GHMZBOCLSA-N 310.329 -0.115 30 20 DBED Cc1nn[nH]c1C(=O)N(C)C[C@H](O)CNc1ccc(C#N)cn1 1124633927 RBZYPGYVHABWJQ-LLVKDONJSA-N 315.337 -0.075 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1cc(C2CC2)nn1C 1128486454 ZZPGKEGNVSUENC-UHFFFAOYSA-N 305.382 -0.081 30 20 DBED C#CCN1CC[C@@H](c2n[nH]cc2CNC(=O)C(C)(C)C(N)=O)C1 1130398820 GMFQSVZVKZYRJO-LLVKDONJSA-N 317.393 -0.040 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)[C@@H](C)NC(C)=O)C[C@@]3(C1)O2 1131178315 ULCFRCUVNVRILA-UZMCECQYSA-N 305.378 -0.554 30 20 DBED COCCOCC(=O)N1C[C@H]2C[C@@H]3CN(CC#N)C[C@]2(C1)O3 1131209875 LMTNPBXIBQOHER-UMVBOHGHSA-N 309.366 -0.525 30 20 DBED CC#CCN1C[C@H]2C[C@H]3CN(C(=O)CCCC(N)=O)C[C@@]3(C1)O2 1131297378 AHEZGTUBGIARLE-JJRVBVJISA-N 319.405 -0.033 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)CCc1ccccn1 1132266415 PLVJVEIGZXKNJK-CYBMUJFWSA-N 302.378 -0.142 30 20 DBED C[C@H]1CC[C@@H](NC(=O)C(C)(C)NS(C)(=O)=O)CN1CC#N 1132339875 KTKNSMOAEOTHCM-WDEREUQCSA-N 316.427 -0.193 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)C[C@@H](C)NCc1cn(C)nn1 1134130202 DSRPBMJRKQYNHQ-NEPJUHHUSA-N 320.397 -0.673 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)C[C@@H](C)NCc1cnn(C)c1 1134131138 RFZDNILGAOKGAG-CHWSQXEVSA-N 319.409 -0.068 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)C[C@H](C)NCc1ccnn1C 1134131516 XPHCQVIFNBMPCY-QWHCGFSZSA-N 319.409 -0.068 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H](C)c1c(C)n[nH]c1C 1135432671 NTCVZXOFMCKJDP-GXFFZTMASA-N 319.409 -0.026 30 20 DBED C=CCCCNCCNC(=O)Cn1[nH]cc2c(=O)ncnc1-2 1135465913 WOJZUQUUUXLJKL-UHFFFAOYSA-N 304.354 -0.257 30 20 DBED COc1cccc(C(=O)NCCNCC(=O)NCC#N)c1F 1135643271 OPORJNSKLMCRGX-UHFFFAOYSA-N 308.313 -0.207 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)Cn1ccnc1C 1146333311 NRGGEMPHTWPNIH-CHWSQXEVSA-N 319.409 -0.186 30 20 DBED Cn1nnnc1CN1CCC2(C1)CN(C(=O)CSCC#N)C2 1147026052 KHXBBPWIFINHSW-UHFFFAOYSA-N 321.410 -0.499 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)C[C@H]1CCN(C)C1 1147876953 AERPFXVBBGODTI-CQSZACIVSA-N 323.441 -0.204 30 20 DBED C=CCCOCC(=O)N1CC2(CCN(Cc3nnnn3C)C2)C1 1148893961 XYNZYSPZNLJNBQ-UHFFFAOYSA-N 320.397 -0.163 30 20 DBED C=CCOCC(=O)NC[C@H]1CN([C@@H]2CCNC2=O)CCCO1 1149384796 XFCPCJKXUKUMQX-QWHCGFSZSA-N 311.382 -0.715 30 20 DBED N#CCNC(=O)CN1CCCO[C@H](CNC(=O)C2CC=CC2)C1 1149431094 HSSRMAADTDDMNA-CQSZACIVSA-N 320.393 -0.201 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@H](C(C)C)N1CCCC1=O 1153419930 CHSJTCPRHJKPKJ-HNNXBMFYSA-N 324.425 -0.359 30 20 DBED C=CCNC(=O)CN(CC)[C@H](C)CNC(=O)[C@@H]1CCN(C)C1=O 1154719553 GSXHSFPYFPYEDU-OLZOCXBDSA-N 324.425 -0.407 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)CCC(=O)NCC)C1=O 1155672752 KQUOCYIJPBNNNH-ZDUSSCGKSA-N 324.425 -0.215 30 20 DBED C=CCN1CC[C@@H](N2CC=C(CCNC(=O)C(N)=O)CC2)C1=O 1161096384 IJYXKBPDXHAHIK-CYBMUJFWSA-N 320.393 -0.603 30 20 DBED COCC#CCNCCCNC(=O)[C@@H]1CCCN(C(C)=O)C1 1162054373 PMLISGOZJNAUPT-OAHLLOKOSA-N 309.410 -0.009 30 20 DBED COCC#CCNCC1(CCNC(=O)c2nnn(C)n2)CC1 1166672911 VSFIWYZWCXUKCY-UHFFFAOYSA-N 306.370 -0.650 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@H]1CCC[C@@H](N(C)C)C1 1171161594 OXZLPSOMFLCTFV-LSDHHAIUSA-N 322.453 -0.048 30 20 DBED COCC#CCN[C@H]1CCN(C(=O)c2cnc(O)n2C)[C@H]1C 1179303443 CEGMETQHAKLEPX-RYUDHWBXSA-N 306.366 -0.032 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)Cn2nccn2)C1 1182887061 AMWDIXSUCBYJGK-VXGBXAGGSA-N 306.370 -0.841 30 20 DBED CC#CCNC[C@H]1CCN(C(=O)CN2CC(=O)NC2=O)C[C@@H]1C 1185325386 BDPXEMIJGGUFSC-QWHCGFSZSA-N 320.393 -0.364 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2cc(=O)n(C)o2)C1 1189847347 LJVLBFNXQYPPQZ-LLVKDONJSA-N 322.365 -0.573 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](N(C)CC(=O)NC2CC2)C1 1190127996 HXROJXQUPMZFGG-CQSZACIVSA-N 307.394 -0.162 30 20 DBED N#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2ccsc2)C1 1190905603 WHSBPFRFYYXWBB-GHMZBOCLSA-N 308.363 -0.837 30 20 DBED C#CCCCC(=O)N[C@@H]1CN([C@H](C)c2nncn2C)C[C@H]1O 1192511003 UWOZRNBFFZKULK-JHJVBQTASA-N 305.382 -0.159 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(Cc2ccn(CC)n2)C[C@H]1O 1192531481 XATGPDJBSAMFTG-FMKPAKJESA-N 322.409 -0.109 30 20 DBED CC(=O)NC(C)(C)C(=O)N1CCCN(CC(=O)NCC#N)CC1 1197468015 WNVWXWBSXLKFSC-UHFFFAOYSA-N 323.397 -0.925 30 20 DBED CN(C)[C@H](C(=O)N1CCC(NCC(=O)NCC#N)CC1)C1CC1 1201053525 RPRHKEVCDPAFNM-HNNXBMFYSA-N 321.425 -0.453 30 20 DBED CC[C@H](C)C(=O)NCC(=O)N1CCCO[C@@H](CNCC#N)C1 1202088366 SWCNNZXCIRVQJW-STQMWFEESA-N 310.398 -0.121 30 20 DBED N#CCNCC1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)CC1 1206932316 YXHXXNUFNOLTBF-NSHDSACASA-N 300.384 -0.970 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)c2cc[n+]([O-])cc2)C1 1207149961 AOSWHOXFESMLSH-AWEZNQCLSA-N 318.377 -0.184 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)c2c(C)cnn2C)C1 1209053016 QQYVBXICJWIBOJ-CYBMUJFWSA-N 317.393 -0.328 30 20 DBED CC#CCN1C[C@@H](NC(=O)COCc2ncnn2C)[C@H](OC)C1 1213655079 AIWRFXRFDPICGC-CHWSQXEVSA-N 321.381 -0.830 30 20 DBED CCCN(C)CCC(=O)N1C[C@@H](NCC(=O)NCC#N)[C@H](C)C1 1216490962 YMQBLUHQTANBOE-ZIAGYGMSSA-N 323.441 -0.205 30 20 DBED N#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C=C2CCCCC2)C1 1219293139 MDFABOLWELEVME-KGLIPLIRSA-N 320.393 -0.322 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(CCOCC(C)C)C[C@@H]1O 1219604981 FTPQTMANYRLZJB-ZNMIVQPWSA-N 312.410 -0.141 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)CCc2ccnn2C)C1 1219728044 YQTZCKAZKINDPA-CABCVRRESA-N 320.393 -0.836 30 20 DBED C=CCN1CC[C@@H](N2C[C@H](O)[C@H](NC(=O)CCCF)C2)C1=O 1220154854 OBABBRXTXURJQT-UPJWGTAASA-N 313.373 -0.316 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@@H](c2cccnc2)N(C)C)C1 1221102413 SPSTYVAZPITWIR-QLFBSQMISA-N 302.378 -0.521 30 20 DBED C#CCOCCC(=O)N1C[C@H]2CCN(CCOCCO)C[C@H]21 1221542496 NREAFEMNAJCQEK-HUUCEWRRSA-N 310.394 -0.432 30 20 DBED C=CCN1CCC(CNC(=O)[C@H](CCC(N)=O)NC(C)=O)CC1 1224855744 SORDERYIHAVGSF-AWEZNQCLSA-N 324.425 -0.229 30 20 DBED Cc1ccnc(C(=O)NC2CCN(CC(=O)NCC#N)CC2)n1 1227137720 FLGVEDZCFSQIOX-UHFFFAOYSA-N 316.365 -0.381 30 20 DBED C#CCO[C@@H](C)C(=O)NC1CCN(Cc2nc(O)n[nH]2)CC1 1227342327 MPHJPLHXLWYRTF-JTQLQIEISA-N 307.354 -0.371 30 20 DBED CN(C[C@@H]1CCN1Cc1nnn(C)n1)C(=O)CSCC#N 1230814977 JKJFJNCCYXHTCT-JTQLQIEISA-N 309.399 -0.500 30 20 DBED C=CCNC(=O)[C@@H](C)N(C)CCCNC(=O)CNC(=O)OC 1234513058 SAXXYMPOSAEPSB-LLVKDONJSA-N 314.386 -0.529 30 20 DBED C[C@@H](Cn1ccnc1)NC(=O)C(=O)NC1CCN(CC#N)CC1 1321630826 MWVGLRJKOGZGDZ-LBPRGKRZSA-N 318.381 -0.508 30 20 DBED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NCCNC(=O)C1CC1 1321925358 XEQFWAMSJCHFDL-QWHCGFSZSA-N 323.393 -0.274 30 20 DBED C=CCN1CC(=O)N(CCN/C(O)=C2/N=CC=CC2=O)C1=O 1321951441 ZQSPDJMVAJUUHI-SEYXRHQNSA-N 304.306 -0.037 30 20 DBED Cc1nnc(CNC(=O)C(=O)NCC#Cc2ccccc2)n1C 1322189656 ALCAJNLOXKZVOO-UHFFFAOYSA-N 311.345 -0.092 30 20 DBED C=C[C@H]1CCCCN1C(=O)C(=O)NCCNC(=O)c1cc[nH]n1 1323765528 KJRPNDXQGZKSRY-NSHDSACASA-N 319.365 -0.177 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)NCc1ccc(C(N)=O)o1 1324195735 DBQJUPMENFNJHI-UHFFFAOYSA-N 301.302 -0.520 30 20 DBED Cc1cncc(CNC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)c1 1326098523 KSNOAVOFJSKQPM-HNNXBMFYSA-N 302.334 -0.117 30 20 DBED C#CC1CCN(C(=O)C(=O)N2CCOC[C@H]2C[C@H](C)O)CC1 1326228211 VJZLZQGYZZFAEH-GXTWGEPZSA-N 308.378 -0.144 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1C[C@H]2[C@H](C1)C2(C)C 1327403101 KCEOZVIDOPQNKH-QWRGUYRKSA-N 314.407 -0.182 30 20 DBED C=CCN(C(=O)C(=O)NC[C@@]1(C)CCC(=O)N1)[C@@H](C)COC 1329083464 XPLAMRIVRRAJDX-XHDPSFHLSA-N 311.382 -0.179 30 20 DBED C=CCNC(=O)CNC(=O)CN(CCN)Cc1ccccc1 1329521840 RDDJJCANWFNXTO-UHFFFAOYSA-N 304.394 -0.134 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CC[C@](O)(C2CC2)C1)[C@H]1CCCO1 1329626284 KUUAIWOEMHGYPX-WOSRLPQWSA-N 306.362 -0.343 30 20 DBED Cc1noc([C@H](C)N(C)C(=O)C(=O)N2CC[C@](O)(CC#N)C2)n1 1332978292 IGZUCAFUESZMLT-LKFCYVNXSA-N 321.337 -0.226 30 20 DBED C#CC1(O)CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O)C1 1334059712 KLCJTTLCEFNBNB-SNVBAGLBSA-N 312.366 -0.143 30 20 DBED C#CCOCCn1nnnc1N1C[C@@H](C)S(=O)(=O)[C@H](C)C1 1334944932 VASAOYCQXTUHTQ-GHMZBOCLSA-N 313.383 -0.665 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N1CC[C@@H](C2OCCO2)C1 1336338022 TUAHBSHMHCRXEY-CYBMUJFWSA-N 304.346 -0.307 30 20 DBED C=CCN(C(=O)C(=O)NCCN1CCNC1=O)[C@@H](C)COC 1336396216 XWZWIJSDLKQEFX-NSHDSACASA-N 312.370 -0.823 30 20 DBED C#Cc1ccc(NC(=O)C(=O)NCCS(=O)(=O)N(C)C)cc1 1339898943 GFDGIGAJZXHEQG-UHFFFAOYSA-N 323.374 -0.386 30 20 DBED Cc1nc2n(n1)C[C@@H](NC(=O)C(=O)N1CC[C@](F)(C#N)C1)CC2 1341738189 XMPHNFKXXMUERO-HZMBPMFUSA-N 320.328 -0.518 30 20 DBED C=CCn1cc(CNC(=O)N(C)CCS(C)(=O)=O)nn1 1345671888 MKWMBOQHUKZJMQ-UHFFFAOYSA-N 301.372 -0.350 30 20 DBED C=CC[C@H](C)NC(=O)C(=O)Nc1ncn(CC(=O)OCC)n1 1349015902 JMSWCBAXHAPUCR-VIFPVBQESA-N 309.326 -0.140 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N(C)CCCC(=O)NC 1349487785 YTDWVTIETDAVSK-LBPRGKRZSA-N 311.382 -0.484 30 20 DBED CN(C[C@H]1C[C@@H](O)C1)C(=O)CCn1cc(C#N)c(O)nc1=O 1363245740 YTGLUZRCRAOYSM-JGZJWPJOSA-N 306.322 -0.560 30 20 DBED N#Cc1ncn(CC(=O)N[C@@H]2CCOC3(CCOCC3)C2)n1 1363451558 HVDHLTZAEXHRGQ-LLVKDONJSA-N 305.338 -0.006 30 20 DBED C[C@@H]1COCCN(C(=O)CCn2cc(C#N)c(O)nc2=O)C1 1363571872 AROGYOXYALNFEJ-JTQLQIEISA-N 306.322 -0.294 30 20 DBED Cn1cc(Cl)c(CNS(=O)(=O)N2CCO[C@@H](C#N)C2)n1 1363982955 UGJRYQUYASTMEX-QMMMGPOBSA-N 319.774 -0.368 30 20 DBED Cn1c(=O)[nH]c(NC[C@H]2CC(=O)N(C3CC3)C2)c(C#N)c1=O 1364168914 IDQYRLXYHVPWOO-MRVPVSSYSA-N 303.322 -0.632 30 20 DBED CCn1[nH]nnc1=NC(=O)N(CCC#N)CCN1CCOCC1 1364370666 UFQYKQOJEAEQQI-UHFFFAOYSA-N 322.373 -0.805 30 20 DBED C[C@H](C#N)C(=O)NCCN1CCN(C(=O)[C@H]2CCCCO2)CC1 1372215712 BVWOUONWEXMREW-ZIAGYGMSSA-N 322.409 -0.024 30 20 DBED CN(CCNC(=O)CCCC(N)=O)C(=O)c1c[nH]c(C#N)c1 1373530549 XRQITTUFYZXRFX-UHFFFAOYSA-N 305.338 -0.270 30 20 DBED CCS(=O)(=O)CC(=O)N1CCC[C@@H]1CNC(=O)[C@@H](C)C#N 1387392278 QBFDFDVSTJAPBS-WDEREUQCSA-N 315.395 -0.312 30 20 DBED C[C@@H](C#N)C(=O)NCCN1CCN(C(=O)c2cn[nH]c2)CC1 1396888249 GSPXHGMVMCOOSB-NSHDSACASA-N 304.354 -0.557 30 20 DBED COC(=O)NCC(=O)NC[C@H](C)CNC(=O)c1c[nH]c(C#N)c1 1409652599 MRWZFWCEOQLZHG-VIFPVBQESA-N 321.337 -0.276 30 20 DBED C[C@@H](C#N)C(=O)NC1CCN(C(=O)[C@H]2CCCC(=O)N2)CC1 1446742606 OXAXRLMKWYNWJG-CMPLNLGQSA-N 306.366 -0.078 30 20 DBED N#Cc1cn(CC(=O)N2CC[C@H](n3cccn3)C2)c(=O)nc1O 1450435159 WALVVJPZCBGTNX-NSHDSACASA-N 314.305 -0.509 30 20 DBED C[C@H](C#N)C(=O)NC[C@@](C)(NC(=O)c1cnn(C)n1)C1CC1 1451264471 GACXNKZOJNYODF-YMTOWFKASA-N 304.354 -0.011 30 20 DBED CC[C@@H](CNC(=O)CNC(=O)N1CCCC1)NC(=O)[C@@H](C)C#N 1456786090 HVIMKZLYZFUJNJ-RYUDHWBXSA-N 323.397 -0.038 30 20 DBED CN(C)C1(CNC(=O)Cn2cc(C#N)c(O)nc2=O)CCCC1 1464204176 GUMMUWUALSGWTO-UHFFFAOYSA-N 319.365 -0.189 30 20 DBED Cc1nnsc1C(=O)NCCn1cc(C#N)c(O)nc1=O 1470360571 MGIJJLLWTJVMDV-UHFFFAOYSA-N 306.307 -0.590 30 20 DBED Cn1c(=O)[nH]c(N[C@@H]2CCCC(F)(F)[C@H]2O)c(C#N)c1=O 1472804670 IUKALJHZKIFZPL-SFYZADRCSA-N 300.265 -0.094 30 20 DBED C=C(Br)CN1CC(CNC(=O)CNC(=O)NC)C1 1481627848 IKOUBWCGJZIBIJ-UHFFFAOYSA-N 319.203 -0.128 30 20 DBED C=C(Cl)CNC[C@@H](O)CNC(=O)Cn1ccc(C)cc1=O 1482772540 HIBKPWHUZVGGHR-GFCCVEGCSA-N 313.785 -0.024 30 20 DBED C[C@@H](C#N)C(=O)NCCN1CCN(C(=O)c2ncccn2)CC1 1493185523 UFWODXAKKJOPNF-LBPRGKRZSA-N 316.365 -0.490 30 20 DBED CNC(=O)NC(=O)CNCC1(NC(=O)[C@@H](C)C#N)CCCC1 1495138907 MIANLRVXZPXTPA-JTQLQIEISA-N 309.370 -0.380 30 20 DBED C=C(Br)CNC[C@@H](C)CNC(=O)Cn1cnnn1 1495619145 UXMMQUGEBLJCIK-MRVPVSSYSA-N 317.191 -0.076 30 20 DBED CCc1cc(C(=O)NCC[C@H](C)NCC(=O)NCC#N)n(C)n1 1503537492 JSOSNDWFSVDTNF-NSHDSACASA-N 320.397 -0.280 30 20 DBED N#Cc1ncn(CC(=O)N2CCOC3(CCC(N)CC3)C2)n1 1580084879 XCTKLZBZFIPNQV-UHFFFAOYSA-N 304.354 -0.351 30 20 DBED C#CCN1CCN(C(=O)CN[C@H](C[C@@H]2CCCO2)C(=O)O)CC1 1588477428 QBRYLHSGNZOMJE-UONOGXRCSA-N 323.393 -0.624 30 20 DBED N#Cc1ncc(NCC(=O)NCC(F)F)nc1-c1nn[nH]n1 1592710097 GSQJGGOAETXJRV-UHFFFAOYSA-N 309.240 -0.678 30 20 DBED C#CCN(CC(=O)O)S(=O)(=O)[C@@H]1CC(=O)N(C2CC2)C1 1602699260 QFKKZQVMDOBNDQ-SNVBAGLBSA-N 300.336 -0.901 30 20 DBED C#CCOCCNC(=O)C(=O)NCCc1ccc(C(=O)O)cc1 1602728620 YAXZKKPSBTUDSM-UHFFFAOYSA-N 318.329 -0.191 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nn[nH]n3)n2)C1 1602983441 IYRNYMZDIOUKDC-XHNCKOQMSA-N 313.325 -0.125 30 20 DBED N#Cc1ncc(NCC(=O)NC2CCCC2)nc1-c1nn[nH]n1 1606398148 OKLFLWXNXFNZRZ-UHFFFAOYSA-N 313.325 -0.001 30 20 DBED N#Cc1ncc(N[C@H](CO)C[C@H]2CCCO2)nc1-c1nn[nH]n1 1606398153 OOAARYNFGPZZDQ-DTWKUNHWSA-N 316.325 -0.130 30 20 DBED N#Cc1cccc([C@H](C(=O)O)N2C[C@@H](C(N)=O)[C@@H](C(N)=O)C2)c1 1608215876 SLLWOEQWKXKVJP-GRYCIOLGSA-N 316.317 -0.797 30 20 DBED COCC#CCNC[C@H]1CCCN(C(=O)C[C@H]2CCNC2=O)C1 1752799820 NAWKTIXIAPORLR-HUUCEWRRSA-N 321.421 -0.009 30 20 DBED C=CCn1cc(C(=O)NC[C@H](C)NCc2nncn2C)nn1 1752903548 QMROMJPQZRWDHM-JTQLQIEISA-N 304.358 -0.499 30 20 DBED C=CCN1CC[C@@H](N(CC)CCNC(=O)c2[nH]nnc2C)C1=O 1753086458 SEFGYJZUTAHRRW-GFCCVEGCSA-N 320.397 -0.048 30 20 DBED C#CCNC(=O)CN1CCC[C@@H]1CNC(=O)c1ccn(C)n1 1753113879 AMONGZXFRMEYOA-GFCCVEGCSA-N 303.366 -0.636 30 20 DBED C#CCNC(=O)CN1CCC[C@H]1CNC(=O)c1ccn(C)n1 1753113880 AMONGZXFRMEYOA-LBPRGKRZSA-N 303.366 -0.636 30 20 DBED C#CCNC(=O)CNC/C=C\CNC(=O)c1cnc(C)n1C 1754162315 SWNQVLWWMQQNQJ-WAYWQWQTSA-N 303.366 -0.646 30 20 DBED C=CCN1CC[C@@H](NC/C=C/CNC(=O)Cn2ccnc2)C1=O 1754213593 XDTGBFWROMUPER-RDFMZFSFSA-N 317.393 -0.068 30 20 DBED C=CCNC(=O)CN1CC[C@@H]1CNC(=O)C[C@H]1CCCC(=O)N1 1754489471 YHGTZAHRGFMPPQ-CHWSQXEVSA-N 322.409 -0.462 30 20 DBED C#CCNC(=O)CNC[C@]1(C)CCN(C(=O)c2cncn2C)C1 1754699437 GQFGTODIQGAYDX-INIZCTEOSA-N 317.393 -0.389 30 20 DBED C#CCN1CC2(CC[C@@H](CNC(=O)CN(C)C(=O)COC)O2)C1 1755054024 GARRLBPEMROAGY-ZDUSSCGKSA-N 323.393 -0.926 30 20 DBED C#CCNC(=O)[C@H](C)NCC1CC(NC(=O)C(C)(C)C(N)=O)C1 1755213169 WBXQGFJPKGKHAG-UNXYVOJBSA-N 322.409 -0.880 30 20 DBED C=CCn1cc(C(=O)N[C@@H](C)[C@H](C)NCc2nc(O)n[nH]2)nn1 1755255330 FYDIVHAWJWGVBX-IUCAKERBSA-N 320.357 -0.416 30 20 DBED COCC#CCN[C@H](C)[C@@H](C)NC(=O)CS(=O)(=O)C(C)C 1755267293 ALRPVYDVARIWCM-CHWSQXEVSA-N 318.439 -0.058 30 20 DBED C[C@@H](NC(=O)CSCC#N)C1CN(CC(=O)NC2CC2)C1 1755371507 XUNCDAXPVWBUDQ-SNVBAGLBSA-N 310.423 -0.042 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H]2C(CNC(=O)c3nc[nH]n3)[C@@H]2C1 1755430029 NVBMNSVTEPCXSF-DLOVCJGASA-N 318.381 -0.597 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H](CO)CNC(=O)c1[nH]ccc1C 1755624978 BPNIYDBFAUVVIW-VXGBXAGGSA-N 306.366 -0.859 30 20 DBED C=C(C)CCN[C@H](CO)CNC(=O)[C@H]1CCS(=O)(=O)C1 1755633147 OORHXOGASSMFIC-RYUDHWBXSA-N 304.412 -0.546 30 20 DBED C=C(C)CCNC[C@@H](O)CN(C)C(=O)c1nccnc1C(N)=O 1755796293 NYWQMGXXVUNXJM-LLVKDONJSA-N 321.381 -0.436 30 20 DBED C#CCNC(=O)CN(C)C[C@H](O)CN(C)C(=O)C1[C@@H]2CCC[C@@H]12 1755799561 PSRCOQUMKAYOSN-BFHYXJOUSA-N 321.421 -0.467 30 20 DBED C=CCO[C@H](C)C(=O)N(C)[C@@H](C)CNC(=O)Cn1ncnn1 1756029361 JPAROOUJMNIWLH-WDEREUQCSA-N 310.358 -0.773 30 20 DBED C=CCCOCC(=O)N[C@@H](C)C1CN(C(=O)Cn2ncnn2)C1 1756147032 HSUSXYCVIBYTDG-NSHDSACASA-N 322.369 -0.771 30 20 DBED CC(C)C#CC(=O)N[C@@H](C)CN(C)C(=O)[C@H]1CN(C)CCO1 1756440930 HMRCGKLRCFQVOD-UONOGXRCSA-N 309.410 -0.061 30 20 DBED CC(C)C#CC(=O)N(C)C[C@@H](O)CNC(=O)[C@@]1(C)CNC(=O)C1 1756661986 HIVABMQHLIXDHT-BLLLJJGKSA-N 323.393 -0.893 30 20 DBED CCn1cc(C(=O)N(C)C[C@@H](O)CNC(=O)C#CC2CC2)nn1 1756676281 OATBEBBUGBTWOV-LBPRGKRZSA-N 319.365 -0.740 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(C(=O)c2csc(O)n2)C[C@H]1O 1756991294 DFWSXZKFMSTTHP-MWLCHTKSSA-N 323.374 -0.046 30 20 DBED NC(=O)CNC(=S)NN=Cc1cccn2c(C(=O)O)cnc12 1776042360 IKFHOGOALHPIEC-UHFFFAOYSA-N 320.334 -0.684 30 20 DBED CC[C@@H](C)[C@@H](N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC#N)C2 1795548498 IHIATVHJLXVOQO-GGUBGCTKSA-N 322.409 -0.137 30 20 DBED C=CCC(=O)N1CCCC12CN(C(=O)CS(C)(=O)=O)C2 1846376039 ABIURESUYMDLAV-UHFFFAOYSA-N 300.380 -0.190 30 20 DBED C[C@@H](S)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CNC(=O)O1 1847852265 XEEHGUMKOFBHFX-KATARQTJSA-N 313.379 -0.385 30 20 DBED C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N(C)C)c1 16557883 BSVASPNMVHBNEP-UHFFFAOYSA-N 324.358 -0.157 30 20 DBED CC(C)(C#N)C(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 49218784 FSDKCPORDMXSPP-VIFPVBQESA-N 301.368 -0.654 30 20 DBED CN(CCC#N)S(=O)(=O)N[C@H](Cc1ccccc1)C(N)=O 68577654 PJSAVPYTEFRDDX-GFCCVEGCSA-N 310.379 -0.237 30 20 DBED COCCN/C(N)=N/CCNS(=O)(=O)c1cccs1 160383427 VEYRGPXWBJIMGS-UHFFFAOYSA-N 306.413 -0.423 30 20 DBED CN(C)C(=O)CCNC(=O)CNC(=O)c1ccc(C#N)cc1 171113296 OSWXRWJLUXHTOY-UHFFFAOYSA-N 302.334 -0.117 30 20 DBED C#CCCCNC(=O)N1CCN(CC(=O)NCCOC)CC1 173323409 QGPLMMKEKXPUFH-UHFFFAOYSA-N 310.398 -0.510 30 20 DBED C#CCOc1ccccc1NC(=O)C(=O)N1CC(CC(N)=O)C1 280472975 PCHKADVPZXNKDL-UHFFFAOYSA-N 315.329 -0.029 30 20 DBED N#Cc1ccc(N2CCN(C(=O)[C@H]3COC(=O)N3)CC2)nc1 283038801 NGOOWFGVCNMKNS-LLVKDONJSA-N 301.306 -0.290 30 20 DBED Cc1ccc(C#N)c(N2CCN(CCS(N)(=O)=O)CC2)n1 288206893 CWEIWTOYVQHNOT-UHFFFAOYSA-N 309.395 -0.328 30 20 DBED C[C@H](Nc1c(C#N)c(=O)n(C)c(=O)n1C)[C@H](C)N1CCOCC1 301210222 UNXOSJHAWXVOGN-QWRGUYRKSA-N 321.381 -0.523 30 20 DBED C/C(O)=N/[C@@H]1CCCN(C(=O)CN2CCN3CCOC[C@@H]3C2)C1 329670898 MZTFTNALPRBGLO-CABCVRRESA-N 324.425 -0.030 30 20 DBED N#Cc1ccsc1NC(=O)C(=O)NCCNc1cnccn1 340041861 AUBAUBCOUBKDKE-UHFFFAOYSA-N 316.346 0.577 30 20 DBED C=CCN1CCC(NC(=O)C(=O)N2C[C@H]3[C@@H](O)CC[C@H]3C2)CC1 343770506 USLUDSZXDHPRER-CFVMTHIKSA-N 321.421 -0.018 30 20 DBED C=CC[C@H](CO)NC(=O)NCC1CN(S(=O)(=O)CC)C1 350388668 GWFGDUSDFJRQMC-LLVKDONJSA-N 305.400 -0.496 30 20 DBED C[C@]1(C2CC2)NC(=O)N(CC(=O)N2CC(O)(CC#N)C2)C1=O 369814539 QWDFLGSPRRXTKY-CYBMUJFWSA-N 306.322 -0.806 30 20 DBED CC1(C)C[C@]1(C#N)NC(=O)CCn1cc(S(N)(=O)=O)cn1 427878879 BKNVCSPPGWVJMB-GFCCVEGCSA-N 311.367 -0.271 30 20 DBED CC(C)Oc1ccc(NC(=O)C(=O)NC(CO)CO)cc1C#N 435849377 ZRCYHZLWAFUNTF-UHFFFAOYSA-N 321.333 -0.247 30 20 DBED C=C(C)CN(C)C(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 479286748 OPPMPZHDZSURMF-UHFFFAOYSA-N 319.365 -0.142 30 20 DBED C#C[C@H](CC)NC(=O)C(=O)Nc1cnc(OC)c(C(N)=O)c1 491808438 VVZVPBLSFGFZID-MRVPVSSYSA-N 304.306 -0.344 30 20 DBED N#Cc1ccc(OC[C@H](O)CNC[C@H]2CC[C@H](C(N)=O)O2)cc1 518362693 SWWQFGWEUBLRHL-BPLDGKMQSA-N 319.361 -0.080 30 20 DBED CN(C)CC(=O)N1CCN(C(=O)c2cccc(C#N)n2)CC1 589284785 PFQZDNRXDJLQIN-UHFFFAOYSA-N 301.350 -0.201 30 20 DBED Cc1cc(C(=O)N2CC(C#N)C2)nc2c1c(=O)n(C)c(=O)n2C 590484029 HOAIXCSZZPFSEP-UHFFFAOYSA-N 313.317 -0.464 30 20 DBED CO[C@H]1CS(=O)(=O)C[C@@H]1NS(=O)(=O)c1ccc(C#N)o1 594820953 FAFRKFMJMBEVFC-IUCAKERBSA-N 320.348 -0.758 30 20 DBED C[C@]1(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CCNC1 595984850 DICPTXUYEMBYHR-AWEZNQCLSA-N 322.390 -0.295 30 20 DBED CC(C)(C)N1C[C@@H](CNC(=O)NCC(=O)NCC#N)CC1=O 596598494 ITVOIPSQQONTCQ-SNVBAGLBSA-N 309.370 -0.428 30 20 DBED CCN(C[C@H](C)C#N)C(=O)[C@@H]1CCCN(S(N)(=O)=O)C1 596824364 WCSXDTJNRCNDED-GHMZBOCLSA-N 302.400 -0.090 30 20 DBED CC[C@@H]1CN(C)CCCN1c1c(C#N)c(=O)n(C)c(=O)n1C 601191073 GWHATBGLMMVEEO-LLVKDONJSA-N 305.382 -0.124 30 20 DBED CN1C[C@H](N(C)S(=O)(=O)N2CCO[C@H](C#N)C2)CCC1=O 601457802 DECKFDDOIWBYRW-GHMZBOCLSA-N 316.383 -0.992 30 20 DBED C=C[C@H](CO)NCC(=O)NCCCN(C(C)C)S(C)(=O)=O 662166874 KLBMOGGHFUWOCR-GFCCVEGCSA-N 321.443 -0.701 30 20 DBED COC(=O)N1CCN(C(=O)C(=O)Nc2cnn(CC#N)c2)CC1 746363416 BDPIYSMJOZIBMI-UHFFFAOYSA-N 320.309 -0.744 30 20 DBED C#CC(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 754042239 PSRRMXHHYAWMGS-UHFFFAOYSA-N 301.350 -0.405 30 20 DBED C#CCNC(=O)CN1CCC[C@@H](n2cc(C(=O)OC)nn2)C1 762621662 CHERQXXXARBEFQ-LLVKDONJSA-N 305.338 -0.549 30 20 DBED CS(=O)(=O)NN=Cc1ccc(C=NNS(C)(=O)=O)cc1 764699574 GTEFBKIXUMOPEA-UHFFFAOYSA-N 318.380 -0.547 30 20 DBED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(N)=O)c1 779171334 RUSGTNCEHXYNQQ-WJDWOHSUSA-N 324.362 -0.077 30 20 DBED C#CCOCCNC(=O)N1CCC(S(=O)(=O)NC)CC1 784549748 QYLZDKDACSAANE-UHFFFAOYSA-N 303.384 -0.641 30 20 DBED C#CCCS(=O)(=O)N1C[C@@H](CO)C[C@H](OCCOC)C1 808308640 MRVXXXNUWRTFNS-STQMWFEESA-N 305.396 -0.315 30 20 DBED C#CCONC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 812784464 PLHDWPYYYQHTHG-SNVBAGLBSA-N 307.331 -0.094 30 20 DBED O=C(N[C@@H]1CCCN(O)C1=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 816756320 VILKSHXTWHPIFW-PSASIEDQSA-N 307.310 -0.741 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCC[C@H](CO)[C@@H]1C)[C@H]1CCCO1 817837868 FLDSDMHZSPYVLF-RFQIPJPRSA-N 308.378 -0.097 30 20 DBED Cc1cc(C)n(N=Cc2cn(C)c(=O)n(C)c2=O)c(=O)c1C#N 839405059 MPHIXKXXESUUSE-UHFFFAOYSA-N 313.317 -0.384 30 20 DBED Cc1cc(C=NNC(=S)NCCN2CCOCC2)n(C)n1 841606761 LDSNVSAPWOADKT-UHFFFAOYSA-N 310.427 -0.141 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N(C)C[C@@H](O)C(F)(F)F 875596943 WVUGBCFKDYDUJY-VHSXEESVSA-N 324.299 -0.087 30 20 DBED CN1CCC(N2CC[C@@H](N(C)C(=O)NCC#CCO)C2)CC1 923772146 PKWHBYSPXMSKES-OAHLLOKOSA-N 308.426 -0.208 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)Cc2nc[nH]n2)C1 936168944 PDKQOLQBKMXSGH-UTUOFQBUSA-N 319.365 -0.345 30 20 DBED C[C@@H](C(=O)N1CCCN(C(=O)[C@H](C)C#N)CC1)N1CCOCC1 941583557 UGPYBUPYQVTEGU-KGLIPLIRSA-N 322.409 -0.072 30 20 DBED Cc1ncc(C(=O)NC[C@@H]2CN(C(=O)[C@H](C)C#N)CCO2)[nH]1 944511294 VJSBJWZNDUBDLV-MWLCHTKSSA-N 305.338 -0.165 30 20 DBED C#CCCN1CCC2(CC1)CN(C(=O)[C@H]1CNC(=O)N1)CCO2 949174334 QHCVNJGDERNKRF-CYBMUJFWSA-N 320.393 -0.616 30 20 DBED CC#CCN1CCN(C(=O)c2ccc(=O)n(CCOC)n2)CC1 949188019 AWAMQXHRZVCMSZ-UHFFFAOYSA-N 318.377 -0.329 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]1CNC(=O)c1cccc(=O)n1C 952018742 NHWRJYFVPVVSDQ-WDEREUQCSA-N 302.334 -0.124 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]1CNC(=O)c1ccc(C(N)=O)[nH]1 952154344 NWJQMBMIQXGPGC-BDAKNGLRSA-N 303.322 -0.396 30 20 DBED CN(C(=O)[C@H]1COC(=O)N1)C1CCN(C(=O)C#CC2CC2)CC1 953906273 XOJBRHSVJVTHDH-CYBMUJFWSA-N 319.361 -0.042 30 20 DBED C=CCN1C[C@@H](O)[C@H](CNC(=O)c2ccnc3c2nnn3C)C1 958351359 ZNHXKLJBTYNKHP-ZYHUDNBSSA-N 316.365 -0.428 30 20 DBED C=CCN1C[C@@H](O)[C@@H](CNC(=O)c2noc3c2COCC3)C1 958725279 XGLNWIMPNDIAKD-CMPLNLGQSA-N 307.350 -0.044 30 20 DBED Cc1c[nH]nc1C(=O)N1CCO[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]21 960360293 OBGDUZWYNSSWIA-ADEWGFFLSA-N 317.349 -0.070 30 20 DBED C=CCN1CCN(S(=O)(=O)C2CN(C(=O)C(F)F)C2)CC1 961076062 QHZMDBUISIMBLT-UHFFFAOYSA-N 323.365 -0.404 30 20 DBED CC[C@@H](F)C(=O)N1C[C@H](O)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 962347070 MXFZOYMUKRTVFO-JLLWLGSASA-N 308.313 -0.064 30 20 DBED N#CCNC1CC2(C1)CC(NC(=O)[C@H]1CCS(=O)(=O)C1)C2 964250437 QUUCZLISLRDRNO-ZZIMEFBRSA-N 311.407 -0.038 30 20 DBED Cc1c[nH]nc1C(=O)N[C@@H]1COC2(C1)CN(C(=O)[C@H](C)C#N)C2 965689644 MNIWVFBFTZDTBM-KOLCDFICSA-N 317.349 -0.023 30 20 DBED CCN(C(=O)[C@H]1CCCNC1=O)C1CN(C(=O)[C@@H](C)C#N)C1 968063240 YGVXHYKUDHWIPH-JQWIXIFHSA-N 306.366 -0.268 30 20 DBED C#CCCN1CC[C@H](C)[C@H](NC(=O)CN2C(=O)CN(C)C2=O)C1 968628142 SVSUDFOWQAOXMS-QWHCGFSZSA-N 320.393 -0.270 30 20 DBED C=CCn1cc(C(=O)N2C[C@H](O)[C@H](NC(=O)C(C)(C)C)C2)nn1 970450829 CNBFJZHCXYQEAW-PWSUYJOCSA-N 321.381 -0.188 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc[nH]c2)C[C@@H]1O 970712211 ZUBQEUCHFAXXBM-MQYQWHSLSA-N 319.361 -0.093 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@H](NC(=O)Cc2cnc[nH]2)C1 970960019 PVQSUJHQLRWBPC-NEPJUHHUSA-N 306.366 -0.148 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)C(N)=O 977140279 RGNVGMWPSHKAKG-KKOKHZNYSA-N 309.366 -0.394 30 20 DBED CNC(=O)c1cccc(C(=O)NC[C@H]2[C@@H]3CN(CC#N)C[C@H]23)n1 979009393 TUXPDWKAAXPBQY-CNDDSTCGSA-N 313.361 -0.128 30 20 DBED C#CCN1CCC(C(=O)N2CC[C@@H](N(C)[C@H](C)C(N)=O)C2)CC1 980479418 VVWIFEWUNOPCGH-UKRRQHHQSA-N 320.437 -0.262 30 20 DBED C#CCN1CCC(C(=O)N2CC[C@H](N(C)[C@@H](C)C(N)=O)C2)CC1 980479419 VVWIFEWUNOPCGH-ZFWWWQNUSA-N 320.437 -0.262 30 20 DBED C#CCN[C@@H]1CCC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C1 981538938 SDIQKLJKJRGZQR-GHMZBOCLSA-N 304.354 -0.973 30 20 DBED N#CCN1CCCC2(C1)CN(C(=O)C[C@@H]1NC(=O)NC1=O)C2 981819210 RZKVKHJWZFZWCH-JTQLQIEISA-N 305.338 -0.968 30 20 DBED C=CCCn1cc(C(=O)N2CC[C@H](NC(=O)CC)[C@H](O)C2)nn1 991145040 XTZAWRJSIOXPLU-WCQYABFASA-N 321.381 -0.044 30 20 DBED C#CCN1CC[C@]2(NC(=O)Cn3ncn(C)c3=O)CCC[C@@H]12 991467910 AJWUZCULBOFXKO-IUODEOHRSA-N 303.366 -0.672 30 20 DBED N#CCN1CC[C@@]2(NC(=O)CN3CCC(=O)NC3=O)CCC[C@H]12 992428462 MERPDVUJNJXISI-NHYWBVRUSA-N 319.365 -0.435 30 20 DBED C=CCN1CC[C@@]2(NC(=O)c3cn(CC(N)=O)nn3)CCC[C@H]12 992523737 IUQBPSUADONUSY-WFASDCNBSA-N 318.381 -0.324 30 20 DBED COc1ncnc(OC)c1C(=O)NC1CN(C(=O)[C@H](C)C#N)C1 994943331 JPGICZOOQBCKIA-MRVPVSSYSA-N 319.321 -0.406 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)C(C)(C)C(N)=O)C2)cn1 997101696 KFXILJFVQSCFLO-UHFFFAOYSA-N 314.345 -0.485 30 20 DBED C#CCN[C@H]1CCCN(C(=O)c2cn(CC(=O)N(C)C)nn2)C1 1001000202 QJTCYOYCCXJMJM-LBPRGKRZSA-N 318.381 -0.806 30 20 DBED C#CCN1CCC(NC(=O)Cn2ncn3nccc3c2=O)CC1 1003721772 CRGYKJJVGRGPFI-UHFFFAOYSA-N 314.349 -0.895 30 20 DBED Cc1nn[nH]c1C(=O)NCC1[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]12 1009323051 LJLVETXSSDBCPK-STQMWFEESA-N 313.361 -0.039 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(C(=O)Cn2cncn2)CC1 1012576747 PKAGJYSKSAOZCN-OLZOCXBDSA-N 319.365 -0.460 30 20 DBED C[C@H](N[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1)c1nnnn1C 1018730407 APQHIMZZZATCEA-ONGXEEELSA-N 314.353 -0.025 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)C(N)=O)[C@H]1C 1020531800 MOGXUHNYXBMADA-BJDJZHNGSA-N 309.366 -0.442 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H]2CCN(C(=O)Cn3cnnn3)[C@@H]2C1 1021036387 GPVUOGXOVXKRCN-NWDGAFQWSA-N 318.381 -0.055 30 20 DBED CN1CC[C@@H](C(=O)NC[C@H]2CCCCN2CC#N)S1(=O)=O 1024704317 KBYOWMRVIRJFBE-NEPJUHHUSA-N 314.411 -0.485 30 20 DBED C=CCn1cccc1C(=O)NC1CN([C@H]2CCC(=O)NC2=O)C1 1030446322 CRZUKNGWXXOCIG-ZDUSSCGKSA-N 316.361 -0.107 30 20 DBED N#CCN1CC(CNC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 1031668234 ALBKGNVRZLJCHV-NSHDSACASA-N 302.338 -0.666 30 20 DBED C#CCN1CC[C@@H](N(CC)C(=O)C2CC3(C2)NC(=O)NC3=O)C1 1033984543 TZTJNBPUFLQCDK-BWBHSNQOSA-N 318.377 -0.469 30 20 DBED CC#CCN1CCO[C@@H](CNC(=O)c2cc(OC)ncn2)C1 1035366923 BGHHFSHPRCKHMV-LBPRGKRZSA-N 304.350 -0.061 30 20 DBED C#CCN1CCO[C@H](CNC(=O)[C@H]2CCCS(=O)(=O)C2)C1 1035530977 PEXDSFFCOVPFQE-QWHCGFSZSA-N 314.407 -0.739 30 20 DBED C[C@@H]1CN(C(=O)CN2CC(=O)N(C)C2=O)CC[C@H]1NCC#N 1036263545 RJIBIRYQFKYEJZ-GHMZBOCLSA-N 307.354 -0.769 30 20 DBED C#CCN1CC[C@H]2CN(C(=O)Cn3nc(C)n(C)c3=O)CC[C@H]21 1036882185 HXRYQBNNMZFRBI-UONOGXRCSA-N 317.393 -0.554 30 20 DBED C=CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1c[nH]nc1S(N)(=O)=O 1037580480 YKIRWJAVLJXLJV-FKTZTGRPSA-N 311.367 -0.954 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCN1Cc1cn(C)nn1 1038366854 KAVBBQRGQKCLAW-CABCVRRESA-N 316.409 -0.397 30 20 DBED N#Cc1cncc(N2C[C@@H]3CCN(C(=O)Cn4cncn4)[C@@H]3C2)n1 1040625751 FMRLYGKIZDJSMO-WCQYABFASA-N 324.348 -0.323 30 20 DBED N#Cc1nccc(N2C[C@@H](O)[C@H](NC(=O)c3ccccn3)C2)n1 1040910059 ROEYVCOQKDDNIU-VXGBXAGGSA-N 310.317 -0.277 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)C3=COCCO3)C2)cn1 1040912750 VYOXHZBSSMSIIF-CHWSQXEVSA-N 316.317 -0.493 30 20 DBED N#CCSCC(=O)NCC1(O)CN(C(=O)Cc2cnoc2)C1 1041570651 QDWLNDYQXWWLDI-UHFFFAOYSA-N 324.362 -0.837 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)[C@H](C)n2cccn2)C1 1041613715 VSPGTPYWMIRTLE-LBPRGKRZSA-N 322.365 -0.664 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)C[C@@](C)(O)C2CC2)C1 1042627734 PAVMBUFWZUKYOA-QMTHXVAHSA-N 309.366 -0.613 30 20 DBED C[C@H]1OCC[C@]1(C)C(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042964919 QNEKJCYOYFNJFQ-WBMJQRKESA-N 320.389 -0.096 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2ccc(C)o2)C1 1043041603 JBQGWKUSXXHPPQ-LBPRGKRZSA-N 320.345 -0.071 30 20 DBED C=CCCOCC(=O)NCC1(O)CN(C(=O)[C@H]2CC2(F)F)C1 1043568843 PHIFAPCZOBCCFG-SNVBAGLBSA-N 318.320 -0.076 30 20 DBED C=C(C)C[C@@H](C)C(=O)NCC1(O)CN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 1045058306 BXYDHLHNULQCMV-UTUOFQBUSA-N 323.393 -0.600 30 20 DBED C#CCN1CC[C@@H](N2CCN(C(=O)[C@@]3(C)CNC(=O)C3)CC2)C1 1046047523 SIOGPJSQTPLVIO-RHSMWYFYSA-N 318.421 -0.636 30 20 DBED CCc1nocc1C(=O)NCC1(O)CN(C(=O)[C@@H](C)C#N)C1 1046211384 WQZHANIRGAVFMZ-VIFPVBQESA-N 306.322 -0.300 30 20 DBED CN(C(=O)c1ccnc2c1nnn2C)[C@H]1CN(CC#N)C[C@@H]1O 1047504264 IOYQDXNCSSHUCV-QWRGUYRKSA-N 315.337 -0.996 30 20 DBED C=CCCC(=O)N(C)[C@H]1CN(C(=O)[C@H]2CC(=O)N(C)C2)C[C@@H]1O 1048539081 BADMHZUVJBYIBV-AVGNSLFASA-N 323.393 -0.539 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)[C@H]1CN(C(=O)COCC)C[C@@H]1O 1048844613 OJMKPIMRCYLXEA-AVGNSLFASA-N 312.366 -0.909 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2conc2C)C1 1049388300 IPQHSVBDRYFPJX-STQMWFEESA-N 323.349 -0.171 30 20 DBED C=CCn1cccc1C(=O)NC[C@H]1COCCN1CC(=O)NC 1050956509 VNEREPORAMSPFG-ZDUSSCGKSA-N 320.393 -0.149 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)C1CCN(C(C)=O)CC1 1051238194 HNRZZRLYDXMVHC-HNNXBMFYSA-N 307.394 -0.305 30 20 DBED C#CCN1CCN([C@@H]2CCN(C(=O)C[C@H]3COC(=O)C3)C2)CC1 1052013101 RCFBYIDCQVDLAD-HUUCEWRRSA-N 319.405 -0.209 30 20 DBED C=CCN1CC2(C1)CN(C(=O)CCc1cnn(C)n1)CCO2 1053431548 LZYNBCSARBHSCA-UHFFFAOYSA-N 305.382 -0.153 30 20 DBED CC(C)n1cc(C(=O)N2CCOC3(CN(CC#N)C3)C2)nn1 1053488940 MYKLGLJBTZWEIY-UHFFFAOYSA-N 304.354 -0.091 30 20 DBED C#CCN1CC2(CC[C@@H](CNC(=O)[C@@H]3COCCN3CC)O2)C1 1053620943 XKSADBGTLUJGCH-GJZGRUSLSA-N 321.421 -0.310 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)c3nccnc3N)CO2)C1 1053761292 YAMIZPONZSVROA-LLVKDONJSA-N 301.350 -0.345 30 20 DBED Cc1nonc1CC(=O)N1CCN(c2nccnc2C#N)CC1 1055892658 SINIBJDTAFUXLD-UHFFFAOYSA-N 313.321 -0.069 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H]2[C@H]1CCCN2C(=O)COC 1056180265 WPJQCVUTIGMDCU-CHWSQXEVSA-N 321.377 -0.636 30 20 DBED NC(=O)NCC(=O)N1C[C@@H]2CCCN(C(=O)C#CC3CC3)[C@@H]2C1 1056660120 DREZMYIXSMZFCI-QWHCGFSZSA-N 318.377 -0.483 30 20 DBED CN(c1cnc(C#N)cn1)[C@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 1056910505 WHKSGPHEPKGBFG-WDEREUQCSA-N 316.321 -0.506 30 20 DBED C=CCO[C@H](C)C(=O)NCCN(CCO)C(=O)[C@H](O)C(C)C 1057491076 SVBUYVGSWNIUDE-CHWSQXEVSA-N 316.398 -0.469 30 20 DBED O=C(NCCN(CCO)C(=O)C#CC1CC1)[C@@H]1C[C@]12CCOC2 1057535151 KAEYUKSGFRYXHJ-YOEHRIQHSA-N 320.389 -0.237 30 20 DBED C#CCOCCC(=O)N(CCO)CCNC(=O)c1nocc1C 1057579184 KTXSJAMIHDTUDF-UHFFFAOYSA-N 323.349 -0.426 30 20 DBED C#CCOCCC(=O)N(CCO)CCNC(=O)c1cc(C)[nH]n1 1057581564 UKMHOCGNQXUYKQ-UHFFFAOYSA-N 322.365 -0.691 30 20 DBED N#Cc1cncc(N[C@H]2CCCN(C(=O)[C@H]3CCNC3=O)C2)n1 1057724572 IJTFHHDVOSFXDC-JQWIXIFHSA-N 314.349 -0.113 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)c1c[nH]nc1C1CC1 1058656974 NXRAQVQPZUZRAA-JTQLQIEISA-N 319.365 -0.003 30 20 DBED C#Cc1cncc(C(=O)N(CCO)CCNC(=O)CSC)c1 1058775987 DCAMVWYMWRFEMN-UHFFFAOYSA-N 321.402 -0.023 30 20 DBED CNC(=O)CC(=O)NCC[C@@H]1CCN(C(=O)C#CC2CC2)C1 1059621053 ORFVDHGJUMROOA-CYBMUJFWSA-N 305.378 -0.109 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CC[C@H](CNC(=O)Cn2ncnn2)CC1 1060816414 ZFQHHMRDLJXPIQ-SRVKXCTJSA-N 319.369 -0.376 30 20 DBED Cn1cc(C(=O)NC[C@@H]2CCCN2c2nccnc2C#N)nn1 1061348170 BHLDNQHOMUFLII-JTQLQIEISA-N 312.337 -0.124 30 20 DBED C=CCOCC(=O)NC[C@H]1COCCN1C(=O)c1cocn1 1061424403 TVVAJKNMFGKFRE-NSHDSACASA-N 309.322 -0.166 30 20 DBED C#CCNC(=O)CC(=O)N1CCOC[C@H]1CNC(=O)[C@@H]1C[C@H]1C 1061752234 JPYKRUSLDPTMNF-JHJVBQTASA-N 321.377 -0.875 30 20 DBED C=C[C@@](C)(CC)C(=O)NC[C@@H]1COCCN1C(=O)CC(N)=O 1061866857 AYKLYZBCABJZAY-ABAIWWIYSA-N 311.382 -0.192 30 20 DBED C=CCCCC(=O)N1CCOC[C@H]1CNC(=O)[C@H]1C[C@H]1C(N)=O 1061906005 OMGHERMETDHKMU-UPJWGTAASA-N 323.393 -0.192 30 20 DBED C#CCOCCC(=O)NCC1(NC(=O)CN(C)C(C)=O)CCC1 1063038604 MQNCLRUDXOBZIL-UHFFFAOYSA-N 323.393 -0.340 30 20 DBED N#Cc1ccc(N2CCO[C@H](CNC(=O)c3cc[nH]n3)C2)nn1 1063610932 OLWYKJURCAUMGQ-LLVKDONJSA-N 313.321 -0.293 30 20 DBED N#Cc1ccc(N2CCO[C@@H](CNC(=O)c3cnn[nH]3)C2)nc1 1063674576 OLTPHDSUEJDVBX-NSHDSACASA-N 313.321 -0.293 30 20 DBED Cc1c(C(=O)N2CCO[C@@H](CNC(=O)[C@H](C)C#N)C2)cnn1C 1064857571 NDBWDMLNSUTTFY-PWSUYJOCSA-N 319.365 -0.155 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CCOC2)CCO1 1064935688 WITLKVPQCAAGLX-CHWSQXEVSA-N 312.366 -0.431 30 20 DBED CC(C)(C)C#CC(=O)NC[C@@H]1CN(C(=O)CC(N)=O)CCO1 1064998248 DSBWJKWANDYQIP-LLVKDONJSA-N 309.366 -0.745 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)C2(C(=O)NC)CC2)CCO1 1065334965 ORQDQNSLSVWAOO-LBPRGKRZSA-N 323.393 -0.178 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@H](CNC(=O)C2(CN(C)C)CC2)C1 1065557982 XMLNCNMLBFZGMA-CHWSQXEVSA-N 322.409 -0.169 30 20 DBED CN(C(=O)c1ccc[nH]1)[C@H]1CN(c2nccnc2C#N)C[C@@H]1O 1065570088 LXEMHBVCNHJQBA-STQMWFEESA-N 312.333 -0.002 30 20 DBED C=C(C)C[C@H](C)C(=O)N1CC2(C[C@@H](NC(=O)CC(N)=O)CO2)C1 1068781890 GNTAQCHMRVXDPN-NWDGAFQWSA-N 323.393 -0.050 30 20 DBED C[C@H]1C[C@@H](N=c2cc[nH]c(C#N)n2)CN1C(=O)c1ncn(C)n1 1069086833 MEPZYXWQUYQPQX-VHSXEESVSA-N 312.337 -0.386 30 20 DBED C[C@H]1C[C@@H](N=c2cc[nH]c(C#N)n2)CN1C(=O)c1nnn(C)n1 1069177911 HPHSUPXQFOBZPX-DTWKUNHWSA-N 313.325 -0.991 30 20 DBED N#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2cccc(O)n2)C1 1069906979 JZQZKQOHJKBIAS-NEPJUHHUSA-N 313.321 -0.442 30 20 DBED CCc1n[nH]cc1C(=O)N1C[C@H](n2ccnn2)[C@H](NCC#N)C1 1070223935 DTFRWVGQUWRLNU-OLZOCXBDSA-N 314.353 -0.258 30 20 DBED C=CCCCC(=O)NC1(CNC(=O)CC(N)=O)CCOCC1 1070225505 RJNYPOXAUPEQLY-UHFFFAOYSA-N 311.382 0.000 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CCCN(C(=O)Cn2nccn2)C1 1070792742 IMURHNVCPQTDDR-CYBMUJFWSA-N 301.350 -0.201 30 20 DBED CC#CCN1CCNC(=O)CCN(C(=O)CC(C)(C)O)CC1 1070960039 SMJYFTHIEWKGGJ-UHFFFAOYSA-N 309.410 -0.179 30 20 DBED C#CCN1CCN([C@@H]2CCCN(C(=O)CC(C)(C)O)C2)C(=O)C1 1071264440 WFNAGJRUMPSBTD-CQSZACIVSA-N 321.421 -0.084 30 20 DBED C=CCn1cc(C(=O)N2CC3(CCN(CCCO)C3)C2)nn1 1073043175 PRMWKUFNZDODAN-UHFFFAOYSA-N 305.382 -0.006 30 20 DBED C=CCOCC(=O)N1CC[C@@H](NC(=O)c2cnn(C)n2)[C@H](C)C1 1074057082 FVBCEOJMCZEBAV-VXGBXAGGSA-N 321.381 -0.016 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)c3ccn(C)c(=O)c3)C[C@H]21 1074278895 BUFHBSKPGITXSN-HUUCEWRRSA-N 315.373 -0.066 30 20 DBED C#CCOCCC(=O)N[C@@H](C)CCNC(=O)[C@@H]1COCCO1 1075699641 OAXKALKWVNKBRC-STQMWFEESA-N 312.366 -0.547 30 20 DBED N#Cc1cc(C(=O)N2CC[C@H]3CN([C@H]4CCNC4=O)C[C@H]32)c[nH]1 1075709945 USQNUOKUYYSLLJ-LEWSCRJBSA-N 313.361 -0.079 30 20 DBED O=C(C#CC1CC1)N1CC[C@H]2CN(Cc3nc(O)n[nH]3)C[C@H]21 1075780403 LEPODNRDPHLXMG-NWDGAFQWSA-N 301.350 -0.044 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2cnn(CCOC)c2C)C1 1076992457 VANKOZZOXMLCBF-ZIAGYGMSSA-N 306.366 -0.754 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)c2cccc(C(N)=O)c2)C1 1077245901 KUPYLLZOEAMMRA-ZIAGYGMSSA-N 301.346 -0.416 30 20 DBED Cn1cc(C(=O)N[C@@H]2C[C@H](NCC#N)C23CCC3)n(C)c1=O 1078824182 ZUMARKSTCMQGJZ-NWDGAFQWSA-N 303.366 -0.122 30 20 DBED C#CCCCC(=O)N1C[C@H](CNC(=O)c2cnns2)[C@@H](O)C1 1081296945 DBLWYVSFBLSWOG-QWRGUYRKSA-N 322.390 -0.109 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)C2=COCCO2)C[C@@H]1O 1081332297 DFOQIUBHQBGQPU-NEPJUHHUSA-N 310.350 -0.224 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCN(C)C(=O)C2)C1 1083577788 HVFMEROSPQBJJE-MCIONIFRSA-N 309.410 -0.018 30 20 DBED C=CCN1CC[C@@H]2CN(C(=O)CN3CCNC(=O)C3)C[C@@H]2C1 1088064424 DEPOSYGIFVQBNZ-KGLIPLIRSA-N 306.410 -0.616 30 20 DBED CCN(c1ccc(C#N)nc1)[C@H](C)CNC(=O)[C@@H]1CNC(=O)N1 1089728140 CTBRUCFLGQZAIM-MFKMUULPSA-N 316.365 -0.034 30 20 DBED CC(=O)Nc1ccc(C(=O)N[C@@H]2CCN(CC#N)C[C@H]2O)nc1 1090314363 ZXMKSJUYNHKCSK-TZMCWYRMSA-N 317.349 -0.271 30 20 DBED C=CCN1CC[C@@H](NC(=O)c2cc(=O)c(OC)c[nH]2)[C@@H](O)C1 1090432159 ISOJDAWBEGEZKM-MFKMUULPSA-N 307.350 -0.266 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1O 1090445757 QPYDYPBQYGEESU-VXGBXAGGSA-N 317.349 -0.393 30 20 DBED CO[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1NC(=O)[C@H](O)C(C)C 1090882276 VRSAKYAQXNGLSA-YRGRVCCFSA-N 319.365 -0.315 30 20 DBED C=CCCC(=O)N[C@@H]1CN(c2ncnc3c2nnn3C)C[C@@H]1O 1091074802 JSCNAHNWDPRTGL-ZJUUUORDSA-N 317.353 -0.610 30 20 DBED CC(C)N(C)CC(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@@H]1O 1091117589 OYRUTSWUKYEXMJ-OLZOCXBDSA-N 318.381 -0.646 30 20 DBED C[C@@H]1[C@@H](NC(=O)C(C)(C)C(N)=O)CCN1c1cnc(C#N)cn1 1092022052 CVGWHIUXTSLCRO-KOLCDFICSA-N 316.365 -0.057 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@@H]2CN(c3ccc(C#N)cn3)C[C@@H]12 1093265352 DBXFSCSCVHCVTN-CHWSQXEVSA-N 323.356 -0.356 30 20 DBED N#Cc1cncc(NCCNC(=O)c2ccc3nnc(O)n3c2)n1 1093727169 FLEYAADDWBXFFC-UHFFFAOYSA-N 324.304 -0.062 30 20 DBED CCN(CC)C[C@H](F)C(=O)NCCN=c1cc[nH]c(C#N)n1 1093909171 KZMAYVJRHFYNBD-NSHDSACASA-N 308.361 -0.022 30 20 DBED N#Cc1nc(=NCCNC(=O)C[C@H]2CCC(=O)NC2)cc[nH]1 1093924907 XDGJCTGUWNDTKR-SNVBAGLBSA-N 302.338 -0.785 30 20 DBED C[C@@H]1C[C@@H](C(=O)NCc2cn(C3CN(CC#N)C3)nn2)CO1 1094301812 FVYIUNOPYSFHKU-GHMZBOCLSA-N 304.354 -0.300 30 20 DBED CC#CCN1CCN(C(=O)[C@H](C)C#N)[C@@H]2CS(=O)(=O)C[C@@H]21 1094614823 QDVNZQDOZXCULG-FRRDWIJNSA-N 309.391 -0.521 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)Cc3ccon3)CC2=O)C1 1094714455 WPRHUBTUMPNOLX-LBPRGKRZSA-N 304.350 -0.196 30 20 DBED C[C@@]1(C(=O)NCCCNc2ccc(C#N)nn2)CCC(=O)N1 1094764561 FKAKARYRQYEUIG-AWEZNQCLSA-N 302.338 -0.065 30 20 DBED C#CCN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN1CCC(=O)NC1=O)C2 1095034323 NXHMDQJQKHVJEK-XQQFMLRXSA-N 318.377 -0.469 30 20 DBED CN(c1cncc(C#N)n1)[C@@H]1CCN(C(=O)CCNC(N)=O)C1 1095117252 PBMBAIUJKOSDGZ-LLVKDONJSA-N 317.353 -0.556 30 20 DBED CCNC(=O)CC(=O)N1CCCN(c2ccnc(C#N)n2)CC1 1095177394 QATRKLICHYPMON-UHFFFAOYSA-N 316.365 -0.087 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CCN(c2cnc(C#N)cn2)C1 1096360403 NEBHWKVCGPNCCU-NSHDSACASA-N 312.333 -0.817 30 20 DBED N#Cc1nccnc1N[C@@H](CNC(=O)[C@H]1CNC(=O)N1)C1CC1 1096800917 QJOJRUQQJDAVIY-WDEREUQCSA-N 315.337 -0.664 30 20 DBED CNC(=O)NC(C)(C)C(=O)NC[C@H](C)N=c1cc[nH]cc1C#N 1097890103 RLISCLHQPUXYKS-JTQLQIEISA-N 318.381 -0.001 30 20 DBED C[C@@H](CNC(=O)C[C@H]1CCNC1=O)Nc1cncc(C#N)n1 1098097422 FGKCWTZCFBBALS-VHSXEESVSA-N 302.338 -0.209 30 20 DBED C#CCCCCC(=O)N[C@@H]1CCN(CC(=O)NCC#N)C[C@@H]1O 1099786959 SCZMNDDFDJZRRV-KGLIPLIRSA-N 320.393 -0.629 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CCN(Cc2cn(C)nn2)C[C@@H]1O 1099821672 WVPADZBIFVTASY-KGLIPLIRSA-N 305.382 -0.474 30 20 DBED CN(CCNC(=O)c1ccc(=O)n(C)n1)c1nccnc1C#N 1100095377 HZKJDTVFGJNTHQ-UHFFFAOYSA-N 313.321 -0.692 30 20 DBED C=C(C)CCN1CC[C@@H](NC(=O)CS(=O)(=O)CC)[C@@H](O)C1 1100129149 INGHPEODPPVQHG-OLZOCXBDSA-N 318.439 -0.061 30 20 DBED CCN(CCNC(=O)Cn1ncnn1)c1nc(C)ccc1C#N 1100624921 IGWFLSNIMDMJFS-UHFFFAOYSA-N 314.353 -0.109 30 20 DBED CCN(CCNC(=O)c1c[nH]c(=O)cn1)c1ccnc(C#N)n1 1100702208 ZPYPYVCMPWBYCD-UHFFFAOYSA-N 313.321 -0.312 30 20 DBED CN(CCNc1nccnc1C#N)C(=O)Cn1cnnc1O 1101551909 LEEOYPPBDJHYQQ-UHFFFAOYSA-N 302.298 -0.784 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)[C@H](C)NC(C)=O)c3nccn32)C1 1101603734 DETNBOZILGLTKI-AAEUAGOBSA-N 315.377 -0.387 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)[C@H]1CCCS1(=O)=O 1101641982 JRYNSPOVCDZMQA-SNVBAGLBSA-N 323.378 -0.782 30 20 DBED C#CCOCCC(=O)N(C)CCNc1nccn2nnnc12 1101781355 NEGXMTLRUIBRNT-UHFFFAOYSA-N 303.326 -0.571 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@@H](C)[C@H](CNC(=O)c2nc[nH]n2)C1 1102473428 YTESTYDEJLZJBG-IJLUTSLNSA-N 320.397 -0.207 30 20 DBED CC(=O)NCC(=O)N1C[C@@H]2C[C@H]1CN2c1nc(C)cc(C#N)n1 1102535342 VDZDYTWTCLXRCM-STQMWFEESA-N 314.349 -0.418 30 20 DBED CC(C)(O)CC(=O)NC[C@H]1CN(c2ccc(C#N)nn2)CCO1 1104308897 XJSFMVDBSUJWDJ-LBPRGKRZSA-N 319.365 -0.169 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](C)N(C)C(=O)c2nnn(C)n2)n1 1104763404 GKSXPELSEXJQLI-SECBINFHSA-N 315.341 -0.247 30 20 DBED C#CCCNCc1cn(C2CN(C(=O)CN(C)C(C)=O)C2)nn1 1105170220 ZYFKPJAYNBIZBN-UHFFFAOYSA-N 318.381 -0.747 30 20 DBED C#CCOCCC(=O)N1CC(n2cc(CNC[C@H](C)O)nn2)C1 1105240272 GIOOIUOXPSPZCI-LBPRGKRZSA-N 321.381 -0.828 30 20 DBED C=C[C@@H](C)[C@@H](C)C(=O)N1CC(n2cc(CNCC(N)=O)nn2)C1 1105305939 UTTCOHVDQISLDF-GHMZBOCLSA-N 320.397 -0.306 30 20 DBED C=CCCNCc1cn(C2CN(C(=O)CCNC(N)=O)C2)nn1 1105371270 KSYUVCKXXIPEQS-UHFFFAOYSA-N 321.385 -0.615 30 20 DBED CN(CCN(C)c1ccc(C#N)cn1)C(=O)Cn1ncnn1 1105472558 AFWMUKLHLHMWRP-UHFFFAOYSA-N 300.326 -0.465 30 20 DBED Cc1noc2ncnc(NC[C@H](O)CNC(=O)[C@@H](C)C#N)c12 1105773488 IKOJJYHDVSSGDJ-CBAPKCEASA-N 304.310 -0.025 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2)C[C@H]1C 1105936663 KSAFVHMIIFSICG-MGPQQGTHSA-N 307.394 -0.401 30 20 DBED CCN(C)CCC(=O)NC[C@H](O)CN=c1cc[nH]cc1C#N 1105944308 MGDYASGCHALQDH-CYBMUJFWSA-N 305.382 -0.394 30 20 DBED N#Cc1nc(=NC[C@@H](O)CNC(=O)CCn2cccc2)cc[nH]1 1105946587 BAHQTLAHOLDWGB-GFCCVEGCSA-N 314.349 -0.449 30 20 DBED C[C@@]1(C(=O)NC[C@@H](O)CNc2ccc(C#N)cn2)CCNC1=O 1106104201 JOLSGILIBIMJGJ-XHDPSFHLSA-N 317.349 -0.632 30 20 DBED C[C@H](CNc1cncc(C#N)n1)NC(=O)C[C@H]1CCNC1=O 1107978706 KVNMXDQIIQSUKH-NXEZZACHSA-N 302.338 -0.209 30 20 DBED C[C@@H](CNc1nccnc1C#N)NC(=O)COCCN(C)C 1108454077 YITLWKOLBJYGMX-NSHDSACASA-N 306.370 -0.157 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1CC(=O)N(C2CN(CCCO)C2)C1 1108564305 IGSJALNOPRTOLW-GFCCVEGCSA-N 309.410 -0.018 30 20 DBED CC[C@@H](OC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1109034307 QPCFVDAPXCNJID-MROQNXINSA-N 308.382 -0.227 30 20 DBED C[C@@H](CN(C)c1nccnc1C#N)NC(=O)Cc1nc[nH]n1 1109081510 VSAHYPHBHZHYDB-VIFPVBQESA-N 300.326 -0.350 30 20 DBED CN1CCO[C@@H](C(=O)N(C)CCCNc2cncc(C#N)n2)C1 1109419360 VOBHXSXSVWBMKJ-CYBMUJFWSA-N 318.381 -0.061 30 20 DBED Cc1nnc(CC(=O)N(C)CCCN=c2cc[nH]c(C#N)n2)o1 1109426036 XWAZWWUJMCOMHT-UHFFFAOYSA-N 315.337 -0.035 30 20 DBED C[C@H](CC(N)=O)C(=O)N[C@]1(C)CCN(c2ccnc(C#N)n2)C1 1110802697 SZJQCQMIHRFBKQ-MEBBXXQBSA-N 316.365 -0.055 30 20 DBED C[C@@H]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCC#N)O1 1111043210 ZLDHKYIZXGWVFK-XGFWRYKXSA-N 320.393 -0.085 30 20 DBED COCCCC(=O)NC[C@]1(O)CCN(c2nccnc2C#N)C1 1111049817 BKEFSBWGPKCLID-OAHLLOKOSA-N 319.365 -0.168 30 20 DBED Cc1c[nH]c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCC#N)n1 1111120998 MLJNZFXYPVGTDE-UTUOFQBUSA-N 316.365 -0.307 30 20 DBED C=CCOCC(=O)NC[C@H]1COCCN1c1nccnc1C#N 1111671872 PHOUQTOYCJXRHF-LBPRGKRZSA-N 317.349 -0.128 30 20 DBED CN(C)CCC(=O)NC[C@H]1CN(c2ccc(C#N)nn2)C[C@H]1O 1112755619 PVYDMMBZSVTBHH-WCQYABFASA-N 318.381 -0.787 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)c2cnnc(C)c2)CC1 1112795411 BGDMTLLZFZITGC-CYBMUJFWSA-N 315.377 -0.319 30 20 DBED CC(C)(C)C#CC(=O)N1CCN(CCN2C(=O)CNC2=O)CC1 1112836571 CZOSFKPLXMWBND-UHFFFAOYSA-N 320.393 -0.268 30 20 DBED COCC#CCN1CCN(C(=O)c2ccc(OC)nn2)CC1 1113492176 JNONRFMBRPBHQW-UHFFFAOYSA-N 304.350 -0.107 30 20 DBED COC[C@@H](OC)C(=O)NC[C@@H](C)N(C)c1nccnc1C#N 1113858059 QQLWJYVRPNFMFE-ZYHUDNBSSA-N 307.354 -0.049 30 20 DBED C[C@H](C#N)C(=O)NC1[C@H]2CN(CC(=O)Nc3ccon3)C[C@H]12 1114070455 ZIOBDFZCGYYONH-UTLUCORTSA-N 303.322 -0.181 30 20 DBED C=CC(C)(C)CC(=O)N[C@H]1[C@@H]2CN(CC(=O)NC(N)=O)C[C@@H]21 1114327894 DZCJXBOBPABINR-IWIIMEHWSA-N 308.382 -0.170 30 20 DBED C=C[C@H](CC)CC(=O)N[C@H]1[C@@H]2CN(CC(=O)NC(N)=O)C[C@@H]21 1114725944 DTUWWYAPJYGQLH-PUHVVEEASA-N 308.382 -0.170 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)c3ccnnc3)[C@@H]2C1 1114883516 ZQGBVOXHSKIXCE-CYZMBNFOSA-N 315.377 -0.173 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)[C@@H]3CCCN3C(C)=O)[C@H]2C1 1115141541 BEBISXGKBGCPBD-XUWVNRHRSA-N 319.405 -0.307 30 20 DBED CC(C)[C@@H](O)C(=O)NCCOCCN(C)c1cnc(C#N)cn1 1115206227 FUVYKHNJNNKCTC-CQSZACIVSA-N 321.381 -0.066 30 20 DBED C[C@@H](CN(C)C(=O)Cn1cncn1)Nc1cnc(C#N)cn1 1115730285 DTQLIKXQKCKETI-JTQLQIEISA-N 300.326 -0.101 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N(C)[C@H](CO)COC(C)C 1117581882 OIBZGJXAIFQCRV-VXGBXAGGSA-N 302.371 -0.452 30 20 DBED C#C[C@H](NC(=O)C(=O)N1[C@H]2CC[C@H]1CC(=O)NC2)[C@H]1CCCO1 1119140262 CDXDDAITDNYCHT-ZDEQEGDKSA-N 319.361 -0.837 30 20 DBED N#CCNC1(CNC(=O)CN2C(=O)CNC2=O)CCCCC1 1120104841 NQHPPDQELZLASC-UHFFFAOYSA-N 307.354 -0.530 30 20 DBED COCC#CCN1CCC[C@@H]1[C@H]1CCCN(C(=O)C(N)=O)C1 1120423486 VAANPYNFTPUNDF-UONOGXRCSA-N 307.394 -0.176 30 20 DBED C#CCN(C(=O)NC[C@H]1CC[C@@H](N)C1)[C@H]1CCS(=O)(=O)C1 1120567441 KCGGBWFUROZBTO-XQQFMLRXSA-N 313.423 -0.054 30 20 DBED C=CCOCC(=O)NC[C@H](CO)Nc1ncnc2[nH]cnc12 1121324752 QKVTWWMHPBVZDX-SECBINFHSA-N 306.326 -0.556 30 20 DBED N#Cc1c[nH]ccc1=N[C@H](CO)CNC(=O)CO[C@@H]1CCOC1 1122068056 AJWJKRQUEIEWEZ-QWHCGFSZSA-N 320.349 -0.930 30 20 DBED Cn1cc(C(=O)NC[C@@H](CO)Nc2ncccc2C#N)nc1O 1122443810 AAMZJGXCIBMQEU-JTQLQIEISA-N 316.321 -0.405 30 20 DBED C[C@@H]1CCN(CC(=O)NC[C@@H](CO)N=c2cc[nH]cc2C#N)C1 1122528585 VSTQIPPKQDIQAY-OCCSQVGLSA-N 317.393 -0.394 30 20 DBED CC(C)N(C)CC(=O)N(C)C[C@H](O)CNc1cncc(C#N)n1 1124381811 PNABVKQPOPHKBB-CYBMUJFWSA-N 320.397 -0.080 30 20 DBED C[C@H]1CN(C(=O)CNCCNC(=O)c2ccc(C#N)[nH]2)CCO1 1125814806 XXUCRIDDBBKWOY-NSHDSACASA-N 319.365 -0.547 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)CCc2cnc[nH]2)C1 1129048688 HCDKFDSRVOGRJI-KGLIPLIRSA-N 313.365 -0.391 30 20 DBED O=C(C[C@@H]1NC(=O)NC1=O)NCCNCC#Cc1ccccc1 1129743374 MYZFEJINTQPWRE-ZDUSSCGKSA-N 314.345 -0.658 30 20 DBED CC#CCN1CC[C@@H](c2n[nH]cc2CNC(=O)CNC(C)=O)C1 1130338105 SCKWZTIRPKIQSN-CYBMUJFWSA-N 317.393 -0.025 30 20 DBED CC(=O)N[C@@H](C)C(=O)N1C[C@@H](NCC#N)[C@H](c2cn(C)cn2)C1 1130488455 WLXNAPDMNZHLJO-VHRBIJSZSA-N 318.381 -0.648 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2C[C@@H]3CN(CCOC)C[C@]2(C1)O3 1131230153 GJCVKXSKRXYQMA-LJIGWXMPSA-N 322.405 -0.027 30 20 DBED CC#CCN1C[C@@H](NC(=O)CN(C)S(C)(=O)=O)CC[C@@H]1C 1132076680 CFBWNSXDKKBCBK-STQMWFEESA-N 315.439 -0.130 30 20 DBED C=C[C@H](CC)CC(=O)NCCNCc1cc(=O)n(C)c(=O)n1C 1132670910 FXHRCVOAHQZUAD-GFCCVEGCSA-N 322.409 -0.108 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)C[C@@H](C)NCc1nncn1C 1134131017 PKQVTIILIMXQPZ-VXGBXAGGSA-N 320.397 -0.673 30 20 DBED CC#CCN[C@H](C)C[C@H](C)NC(=O)CN(C)S(C)(=O)=O 1134509095 MSHGZMUXRWPBFT-NEPJUHHUSA-N 303.428 -0.226 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)NCCNCC(=O)NCC1CC1 1134812142 FXWVXUMMWQIUDG-CQSZACIVSA-N 324.425 -0.311 30 20 DBED C#CCNC(=O)CNCCNC(=O)C(=O)N1[C@H](C)CCC[C@H]1C 1135913916 OBICVXCFKCODND-CHWSQXEVSA-N 322.409 -0.769 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC2(CN(C(=O)[C@@H]3CCOC3)C2)C1 1147104924 ASJBNCPWGKPXHN-ZIAGYGMSSA-N 319.405 -0.305 30 20 DBED C#Cc1ccc(C(=O)NCCNCCCS(C)(=O)=O)nc1 1148377552 ZQCWJNGSCWAUKW-UHFFFAOYSA-N 309.391 -0.183 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)NCCNCC(=O)NCC 1152399352 TTYMYZMMGGZUIR-UHFFFAOYSA-N 313.402 -0.908 30 20 DBED C#CCCN(CC)[C@H](C)CNC(=O)c1cnc(O)n(C)c1=O 1154569911 USWOEFFLIFWXSL-LLVKDONJSA-N 306.366 -0.051 30 20 DBED CCN(CC#N)[C@H](C)CNC(=O)c1c[nH]nc1S(N)(=O)=O 1155160586 JMKHUDJAUPXMEE-MRVPVSSYSA-N 314.371 -0.979 30 20 DBED C#CCO[C@@H](C)C(=O)NCCCNCC(=O)Nc1cnccn1 1157869765 QWEUPNTZAHDCNB-LBPRGKRZSA-N 319.365 -0.451 30 20 DBED C#CCNC(=O)CNCCCNC(=O)C[C@H]1C[C@H]2CC[C@H]1O2 1159768921 DFQZKEKJBBGZKG-MGPQQGTHSA-N 307.394 -0.211 30 20 DBED C#CCN1CC=C(CCNC(=O)CN2CCC(=O)NC2=O)CC1 1161657071 ZTWAIENQDZPAFJ-UHFFFAOYSA-N 318.377 -0.300 30 20 DBED C[C@H](CC(=O)NCCCNCC(=O)NCC#N)c1cnn(C)c1 1163165096 WROWBFDYJHDJNA-GFCCVEGCSA-N 320.397 -0.351 30 20 DBED Cc1cncc(CC(=O)NCCCNCC(=O)NCC#N)c1 1163318271 RJUVJDXQMVURQA-UHFFFAOYSA-N 303.366 -0.332 30 20 DBED C#CCNC(=O)CNCCCC[C@@H](C)NC(=O)C1(C(N)=O)CC1 1174997003 LNERXCXFEGTXNS-GFCCVEGCSA-N 322.409 -0.734 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)CN(CC)CC)[C@H]1C 1179764251 WAVHTUPGJNFGDW-KBPBESRZSA-N 308.426 -0.343 30 20 DBED C=CCNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)CSC)C1 1180817272 NANUMBLURQPWIQ-SNVBAGLBSA-N 314.411 -0.448 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)Cc2cc(C)on2)C1 1181708843 GPXRAVVYTWZYPF-QWHCGFSZSA-N 318.377 -0.146 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2cnccc2C)C1 1181811670 DYCDFLKBXUINOZ-CYBMUJFWSA-N 300.362 -0.056 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](N[C@H]2CCCN(C)C2=O)C1 1182513298 CYSUSESFBZAIOC-KGLIPLIRSA-N 307.394 -0.162 30 20 DBED C[C@@H]1CN(C(=O)C(=O)NCC(F)F)CC[C@H]1CNCC#N 1184701321 KHHSELJMWXJPGS-ZJUUUORDSA-N 302.325 -0.035 30 20 DBED C[C@@H]1CN(C(=O)CN2CC(=O)N(C)C2=O)CC[C@H]1CNCC#N 1185492839 RWFINKMVBAYDDF-NEPJUHHUSA-N 321.381 -0.522 30 20 DBED C=CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3cn(C)cn3)[C@@H]2C1 1187517340 FTOMCOUYLKNDQR-GXTWGEPZSA-N 317.393 -0.131 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC[C@@H](NCCN2C(=O)CNC2=O)C1 1188301690 HTPYORBLVPTFFO-NWDGAFQWSA-N 324.381 -0.680 30 20 DBED C#CCCCCC(=O)N[C@@H]1CN(Cc2cn(C)nn2)C[C@H]1O 1192321370 YENVVFOOLQUCFG-ZIAGYGMSSA-N 305.382 -0.330 30 20 DBED C=C(Cl)CN(C)[C@@H]1CCN(C(=O)CS(=O)(=O)NC)C1 1194089261 CAZDQFVNZDPLMM-SNVBAGLBSA-N 309.819 -0.179 30 20 DBED Cc1cc(C(=O)N2CCCN(CC(=O)NCC#N)CC2)n[nH]1 1195025884 XKWJKUYJUWIDPG-UHFFFAOYSA-N 304.354 -0.494 30 20 DBED CC#CCN1CCCN(C(=O)CS(=O)(=O)CCOC)CC1 1196317445 XPMWLWPTGFBEAJ-UHFFFAOYSA-N 316.423 -0.395 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CN(C)C[C@@H]2C)CC1 1197158678 UBRLEEJHLYHKTA-LSDHHAIUSA-N 320.437 -0.532 30 20 DBED C#CCN[C@@H](CNC(=O)Cn1cnnn1)c1ccccc1OC 1198522744 PMEHOTAMXUGEJX-ZDUSSCGKSA-N 314.349 -0.238 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)Cc2ccc[nH]2)C1 1198863538 MVELWIOVAWNOBY-CHWSQXEVSA-N 306.366 -0.979 30 20 DBED CC[C@@H](NC[C@H]1CN(C(=O)C#CC2CC2)CCCO1)C(N)=O 1200453146 RHOHWADATYZTNY-UONOGXRCSA-N 307.394 -0.129 30 20 DBED CN1CC[C@H](CC(=O)N2CCCO[C@H](CNCC#N)C2)C1=O 1200778760 VYTWEEHIJMUEQC-CHWSQXEVSA-N 308.382 -0.415 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)CN2CCCNC2=O)CCCO1 1200880293 HYLWJVMCUGFZOL-CQSZACIVSA-N 322.409 -0.368 30 20 DBED COCC#CCN[C@H]1C[C@H](NC(=O)Cn2cnnn2)C12CCC2 1202382682 HIOVUVHNICZHDU-STQMWFEESA-N 318.381 -0.660 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC(N[C@H](C)C(N)=O)CC1 1202802109 MQKLCWCBNDMXFE-BXUZGUMPSA-N 324.425 -0.088 30 20 DBED C#CCNC(=O)[C@H](C)NCC1CCN(C(=O)CC(=O)NC)CC1 1205067883 FTIQGIUXDRZLQT-LBPRGKRZSA-N 322.409 -0.911 30 20 DBED N#CCNCC1CCN(C(=O)CN2CCCS2(=O)=O)CC1 1205422431 QDULMSVVURMKJH-UHFFFAOYSA-N 314.411 -0.626 30 20 DBED C=C(Cl)CN[C@H]1CCCN(C(=O)CNS(=O)(=O)NC)C1 1208770153 PKDZAMGRTDETEM-JTQLQIEISA-N 324.834 -0.627 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CCCN(C(=O)c2cnon2)C1 1210234986 DMVNFEPKQXRNLW-WDEREUQCSA-N 307.354 -0.046 30 20 DBED CC#CCN[C@@H]1CCCN(C(=O)CC[C@H]2NC(=O)NC2=O)C1 1210995382 SKFFVFRPACODJP-VXGBXAGGSA-N 306.366 -0.422 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2nnnn2C)C[C@H]1C 1211424438 ANPKRDYZDSKZTO-IJLUTSLNSA-N 308.386 -0.262 30 20 DBED COCC#CCN1C[C@@H](NC(=O)CCCN(C)C)[C@H](OC)C1 1213348672 QXXFRDYTIVSBEU-HUUCEWRRSA-N 311.426 -0.207 30 20 DBED CC#CCN1C[C@@H](NC(=O)C2(C(=O)NC)CCC2)[C@H](OC)C1 1213765082 SREOSCNEFRFEAZ-CHWSQXEVSA-N 307.394 -0.259 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1OC 1213957590 JPVLJUGJUHGRKW-CHWSQXEVSA-N 324.381 -0.966 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](NCCC[C@H](C)O)[C@H](C)C1 1214473842 RJEBQMOVMCIRKD-HZSPNIEDSA-N 309.410 -0.277 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)[C@@H]2CCCNC2=O)C[C@H]1C 1214902507 RVMSVBSWDJPUQW-MGPQQGTHSA-N 307.394 -0.401 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C(C)=C2CCC2)C1 1219574508 CRUPMQFRNQJBJD-KGLIPLIRSA-N 307.394 -0.050 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)CS(=O)(=O)CC(C)C)C1 1219891716 AVIWINNDEIYWBK-OLZOCXBDSA-N 318.439 -0.205 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@]23CCCC[C@@H]2C3)C1 1220310486 DXORUBWWIXNXDP-WVZRYYJFSA-N 319.405 -0.523 30 20 DBED N#CCNC(=O)CN1CC[C@@H]2CN(C(=O)CSCC#N)[C@@H]2C1 1221293922 AYBSLXVOVQWNFF-VXGBXAGGSA-N 321.406 -0.584 30 20 DBED CCO[C@@H](C)C(=O)N1C[C@H]2CCN(CC(=O)NCC#N)C[C@H]21 1221306053 XLHIIPIAOZTSFS-YNEHKIRRSA-N 308.382 -0.416 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@@H]2CN(C(=O)c3nc[nH]n3)[C@@H]2C1 1221879449 DXDAQQUOJVBNHT-IJLUTSLNSA-N 316.365 -0.911 30 20 DBED Cn1[nH]c(CN2CCC(NC(=O)CSCC#N)CC2)nc1=O 1226144433 DRYNVGOHIOHSAD-UHFFFAOYSA-N 324.410 -0.554 30 20 DBED Cc1nocc1C(=O)NC1CCN(CC(=O)NCC#N)CC1 1228970296 ACSOCVKQQLMJTO-UHFFFAOYSA-N 305.338 -0.183 30 20 DBED C=CCCC(=O)NCC[C@H]1CN(C[C@H](C)O)CCS1(=O)=O 1230437236 XHMASSRLQUDZPM-STQMWFEESA-N 318.439 -0.061 30 20 DBED Cc1c[nH]nc1C(=O)N(C)C[C@@H]1CCN1CC(=O)NCC#N 1234111256 IXOKNMJYYJWLHB-NSHDSACASA-N 304.354 -0.496 30 20 DBED COC(=O)[C@@H]1CN(C(=O)C(=O)N2CCC[C@](C)(C#N)C2)CCO1 1261321149 VJJVMNFZHQIGCB-XHDPSFHLSA-N 323.349 -0.461 30 20 DBED C#C[C@@H](NC(=O)C(=O)NCCCn1cncn1)[C@H]1CCCO1 1261921943 JYJNTRKKMAFFGJ-VXGBXAGGSA-N 305.338 -0.919 30 20 DBED N#CCN1CCN(C(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)CC1 1319216158 PSAGADLQIYVXJP-UHFFFAOYSA-N 313.317 -0.502 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(C)Cc2ncon2)C1=O 1319876998 JLCDZXFVEKSLKM-UHFFFAOYSA-N 307.266 -0.995 30 20 DBED C=CCNC(=O)CNC(=O)N1CCC(S(=O)(=O)NC)CC1 1324566933 NZTOKZVUAIRVCQ-UHFFFAOYSA-N 318.399 -0.988 30 20 DBED C#CCSCCNC(=O)C(=O)N1CC[C@H](n2cncn2)C1 1324964110 SQLPHZWQBZUFFQ-NSHDSACASA-N 307.379 -0.466 30 20 DBED CNC(=O)Cn1cc(NC(=O)C(=O)N(C)CC(C)(C)C#N)cn1 1324984751 QMAGPDMZSHFCCP-UHFFFAOYSA-N 320.353 -0.424 30 20 DBED C=CCCCCNC(=O)C(=O)NCCS(=O)(=O)NC(C)C 1326002506 GSQOCIMPGUDXOT-UHFFFAOYSA-N 319.427 -0.097 30 20 DBED CNC(=O)[C@H](C)CN(C)C(=O)C(=O)Nc1cccc(C#N)n1 1329301387 YEHUAYVVSOFOHL-SECBINFHSA-N 303.322 -0.268 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCC[C@](C)(C(=O)OC)C1 1331629013 IFMWITOXIWWYBI-HNNXBMFYSA-N 310.350 -0.446 30 20 DBED C=CCNC(=O)Cn1nnnc1N1CCC[C@@H](C2OCCO2)C1 1335436263 HFKNQFDZCRXNFV-LLVKDONJSA-N 322.369 -0.435 30 20 DBED C#CCN(CC1CC1)[C@@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O 1345029901 KQOWGQDGEXMUEH-JTQLQIEISA-N 318.377 -0.417 30 20 DBED C#CCSCCNC(=O)C(=O)NCCS(=O)(=O)CC 1346598825 NXQZVOSUFBUEPF-UHFFFAOYSA-N 306.409 -0.980 30 20 DBED N#CCOc1ccc(NC(=O)C(=O)NC[C@H]2COCCN2)cc1 1351534231 QTOPDYHRGRMSJW-LBPRGKRZSA-N 318.333 -0.368 30 20 DBED N#Cc1cn(CC(=O)N[C@@H]2CCC[C@H]3OCC[C@H]23)c(=O)nc1O 1362213234 CJDFICJDBDAWSU-IJLUTSLNSA-N 318.333 -0.106 30 20 DBED Cc1nc(C#N)cc(NCCS(=O)(=O)N2CCOCC2)n1 1363134891 HQYWUHROQKCPCX-UHFFFAOYSA-N 311.367 -0.269 30 20 DBED N#CCC1(CS(=O)(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)CC1 1365681847 YIXODCSQJKWPLK-VHSXEESVSA-N 301.368 -0.367 30 20 DBED C=C(Cl)CNC[C@@H](C)NC(=O)c1cn(C)c(=O)n(C)c1=O 1367700388 WTKWKQJJEIABFX-SECBINFHSA-N 314.773 -0.456 30 20 DBED C[C@H](C#N)C(=O)NCCN(C(=O)C1(NC(N)=O)CC1)C1CC1 1374313384 UMZNAJDQENOXSA-SECBINFHSA-N 307.354 -0.546 30 20 DBED Cc1cc(C)n(CC(=O)N[C@@H](C)CNC(=O)[C@@H](C)C#N)c(=O)n1 1377980550 CACCDJZKQTZNAK-ONGXEEELSA-N 319.365 -0.359 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CCCN1C(=O)c1cnn(C)c1N 1387394741 YCAUOJSOTQLTMG-NXEZZACHSA-N 304.354 -0.117 30 20 DBED C[C@H](C#N)C(=O)N(C)C1CCN([C@H](C)C(=O)NC(N)=O)CC1 1389326945 DEEBJZBXZXGWDL-NXEZZACHSA-N 309.370 -0.348 30 20 DBED N#Cc1ccc(C(=O)NC[C@@H](O)CNC(=O)c2cccnc2)[nH]1 1399749409 GCHPVKPHTSFDSB-LBPRGKRZSA-N 313.317 -0.198 30 20 DBED C[C@H](CN(C)C(=O)CN1CCC(=O)NC1=O)NC(=O)[C@H](C)C#N 1405173408 QWQAUROSPUOAEU-NXEZZACHSA-N 323.353 -0.949 30 20 DBED Cc1ccnn1CC(=O)N(C)C[C@H](O)CNC(=O)[C@H](C)C#N 1405603106 QJZLVJVXOHLGNV-ZYHUDNBSSA-N 307.354 -0.713 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)c2cccn3nnnc23)CC1 1410742021 LHAQAGFJSFWSIC-SECBINFHSA-N 313.321 -0.337 30 20 DBED COc1ncc(NC(=O)NC[C@@H](O)Cn2ccnn2)cc1C#N 1426284026 GYNCOTJQDVCSCT-LLVKDONJSA-N 317.309 -0.264 30 20 DBED CC(=O)N1CC[C@@](C)(C(=O)N(C)CCNC(=O)[C@H](C)C#N)C1 1429454499 OQVDPXAJALHENG-IAQYHMDHSA-N 308.382 -0.021 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)CCN2CCOCC2)CC1 1433938912 HKBIBUPZSPHBJJ-GFCCVEGCSA-N 308.382 -0.367 30 20 DBED C=C(Cl)CN1CC[C@@H]1CNC(=O)CN(C)S(C)(=O)=O 1439539671 QFDQCRUVMMYEKR-SNVBAGLBSA-N 309.819 -0.179 30 20 DBED CO[C@H]1C[C@H](NC(=O)Cn2cc(C#N)c(O)nc2=O)C1(C)C 1445267170 YXGDHFYQGDKFLG-UWVGGRQHSA-N 306.322 -0.250 30 20 DBED CCn1nc(C(=O)N2CC(NC(=O)[C@@H](C)C#N)C2)ccc1=O 1450499369 RANJLLOHJWKLSW-VIFPVBQESA-N 303.322 -0.637 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]1CNC(=O)CCCS(C)(=O)=O 1453204191 PCRDTEKDSAWPRT-QWRGUYRKSA-N 315.395 -0.312 30 20 DBED Cc1noc(C)c1CCNC(=O)Cn1cc(C#N)c(O)nc1=O 1464948676 KXTDBYIZTDEZSK-UHFFFAOYSA-N 317.305 -0.216 30 20 DBED C[C@@H](CNCc1ccc(F)c(C#N)c1)NC(=O)Cn1cnnn1 1483207191 GFQIITKCHBPWCF-JTQLQIEISA-N 317.328 -0.022 30 20 DBED C[C@@H](CN(C)C(=O)c1cnn(C)n1)NC(=O)c1cc(C#N)c[nH]1 1487835289 WBBHOSYBLYGTAN-VIFPVBQESA-N 315.337 -0.095 30 20 DBED Cn1cc(CNC[C@H](O)CNC(=O)c2cc(C#N)c[nH]2)cn1 1496958644 BUKVLHQHTCWQJK-LBPRGKRZSA-N 302.338 -0.500 30 20 DBED CC(C)N1CC[C@H](N2CC(O)(CNC(=O)[C@@H](C)C#N)C2)C1=O 1500805930 BIFOSHKANZCYLV-RYUDHWBXSA-N 308.382 -0.682 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1ccc2nncn2c1 1501576638 NVMRNIFNRSQMFG-MWLCHTKSSA-N 316.321 -0.904 30 20 DBED C[C@H]1CN2CCN1C[C@@H]2C(=O)NCc1ccc(C(=O)NO)cc1 1528349528 WVMVJMRKADCLSN-SMDDNHRTSA-N 318.377 -0.190 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](Nc2ccc(-c3nn[nH]n3)nn2)C1 1573564169 HHEJALBDOCJTBC-BDAKNGLRSA-N 313.325 -0.171 30 20 DBED C#CCC[C@H](O)CNC(=O)N[C@@H]1CC2(CNC2)n2ccnc21 1574545422 PQTYEDWFWKCIEA-NWDGAFQWSA-N 303.366 -0.300 30 20 DBED C=CCC1(O)CN(C(=O)C[C@@H]2CS(=O)(=O)[C@@H]3CNC[C@@H]23)C1 1574899829 JFYHRESTUKWPMB-GRYCIOLGSA-N 314.407 -0.842 30 20 DBED O=C(C#CC1CC1)NC1(CO)CCN(CCc2cnn[nH]2)CC1 1577745795 LEDSWWUJSHNXPA-UHFFFAOYSA-N 317.393 -0.296 30 20 DBED N#C[C@H]1CN(S(=O)(=O)N[C@H]2CNCCC2(F)F)CCO1 1580041738 GCAITJPQDKYMOQ-IUCAKERBSA-N 310.326 -0.958 30 20 DBED N#Cc1cn(CC(=O)N[C@]23CCC[C@H]2NCC3)c(=O)nc1O 1580080790 GZMWOUKKPQCZJV-YGRLFVJLSA-N 303.322 -0.779 30 20 DBED C#CC1(O)CCN(C(=O)[C@H]2CCCN(CC(=O)O)C2=O)CC1 1588386056 NMMPSOCBUIKTSZ-LLVKDONJSA-N 308.334 -0.704 30 20 DBED C[C@@H]1CCN(C(=O)C(=O)N2CCO[C@](C)(C#N)C2)C[C@@H]1C(=O)O 1589332292 GLVZUMFDJFIOEX-JRPNMDOOSA-N 323.349 -0.303 30 20 DBED N#C[C@@H]1CNC[C@@H]1NC(=O)c1ccc(-c2nn[nH]n2)cc1F 1592671505 ICZBAPGJXRIELG-KCJUWKMLSA-N 301.285 -0.153 30 20 DBED N#CCN(CC(=O)O)C(=O)Cn1ncc(=O)c2ccccc21 1601069960 VBJSSFZJSQSXEZ-UHFFFAOYSA-N 300.274 -0.167 30 20 DBED C#CCC[C@@H](O)CNC(=O)Nc1nn(C)cc1-c1nn[nH]n1 1602702256 DMNIXLUNPHNKNO-MRVPVSSYSA-N 304.314 -0.504 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)c1cnccc1-c1nn[nH]n1 1602722233 HPOMRWGZSROWIK-QMMMGPOBSA-N 300.278 -0.444 30 20 DBED C=CCOC[C@@H](NC(=O)C1(S(C)(=O)=O)CCC1)C(=O)O 1602910273 SWYLTUJQRSPRKE-SECBINFHSA-N 305.352 -0.274 30 20 DBED Cn1c(N2CCC3(CC2)CNC(=O)C3)c(C#N)c(=O)n(C)c1=O 1645594946 VGVCEWQPEJVDIL-UHFFFAOYSA-N 317.349 -0.938 30 20 DBED N#Cc1ncn(CCNC(=O)N2CCOC3(CCOCC3)C2)n1 1647187603 FJBYJZWEWMVPDY-UHFFFAOYSA-N 320.353 -0.259 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)CCCC(=O)N(C)C)C1 1752405463 NSOHRROZBXKFIE-ZDUSSCGKSA-N 324.425 -0.262 30 20 DBED N#CCNC(=O)CN[C@@H](CNC(=O)c1ccsn1)C1CC1 1752468967 RJMIHHWXTJYKSM-NSHDSACASA-N 307.379 -0.119 30 20 DBED C=C(C)CN(CC)C(=O)CN[C@@H](C)CNC(=O)c1nnn(C)n1 1752892420 CEOFRVXHHXNPQZ-NSHDSACASA-N 323.401 -0.657 30 20 DBED C=CCNC(=O)NC(=O)CNCCN(C)C(=O)c1ccoc1 1753169549 LGRBBERPHFCQIT-UHFFFAOYSA-N 308.338 -0.047 30 20 DBED C#Cc1ccc(C(=O)N(C)CCN[C@@H](C)C(=O)NC(N)=O)nc1 1753253453 MFPHXPXNKXPUFS-JTQLQIEISA-N 317.349 -0.692 30 20 DBED CN(CC(=O)NCC#N)C[C@@H]1CCN(C(=O)Cc2ccc[nH]2)C1 1753359882 MXIDSQRICKRWNB-ZDUSSCGKSA-N 317.393 -0.023 30 20 DBED CC#CCN1CC(NC(=O)[C@@H](NS(C)(=O)=O)C(C)C)C1 1753388180 MAGULOBRBPKFHK-LBPRGKRZSA-N 301.412 -0.616 30 20 DBED CCc1oncc1C(=O)NC[C@H](CC)NCC(=O)NCC#N 1753489424 TYORODMUDUCRRL-JTQLQIEISA-N 307.354 -0.025 30 20 DBED C=CCNC(=O)[C@H](C)NC[C@@H](C)CNC(=O)c1cnc(O)n1C 1753625577 JNWPZHQAYCBMPM-MNOVXSKESA-N 323.397 -0.228 30 20 DBED COCC#CCNC[C@@H](O)CNC(=O)c1cccc(C(N)=O)c1 1753917714 NSOTXOHYBAQCBT-CQSZACIVSA-N 319.361 -0.884 30 20 DBED C=CCNC(=O)[C@H](C)NC/C=C/CNC(=O)[C@H]1CCC(=O)NC1 1754140026 KKGAEAHJFLEYKV-WWKJKZQJSA-N 322.409 -0.535 30 20 DBED C=CCn1cc(C(=O)NC/C=C/CN[C@@H](C)C(=O)NC)nn1 1754183161 YHPZKZISKRKFDW-QRGHLMKCSA-N 306.370 -0.526 30 20 DBED CC#CCNC1(CNC(=O)[C@@H](CCC)S(N)(=O)=O)CC1 1754525938 KMSIMMVGMLPSFM-LLVKDONJSA-N 301.412 -0.295 30 20 DBED C#CCCNC[C@]1(C)CCN(C(=O)CN2C(=O)CNC2=O)C1 1754712956 QNSZJCGAJKUZIL-HNNXBMFYSA-N 306.366 -0.610 30 20 DBED C#CCNC(=O)CN1CC[C@@](O)(CNC(=O)c2ccco2)C1 1754747224 ILHJYBMGOOSTFT-OAHLLOKOSA-N 305.334 -0.804 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCCN1CCC(NCC(N)=O)CC1 1754850322 CLSFTSWPSNXCSW-KGLIPLIRSA-N 324.425 -0.767 30 20 DBED C#CCN1C[C@@H]2CCCN(C(=O)CNS(=O)(=O)CC)[C@@H]2C1 1754874122 LBBAFHXHGUZPCX-QWHCGFSZSA-N 313.423 -0.518 30 20 DBED C#CCCNCC1(O)CCN(C(=O)C2(C(=O)NC)CCC2)CC1 1755156818 ZPIAGBQHAXHHHC-UHFFFAOYSA-N 321.421 -0.131 30 20 DBED C#CCN[C@@H](CCN(C)C(=O)CN1C(=O)CN(C)C1=O)C(C)C 1755342470 GGHFDPGGKPARCC-ZDUSSCGKSA-N 322.409 -0.024 30 20 DBED C#CCCN[C@@H](C)[C@@H]1CN(C(=O)CS(=O)(=O)CC)CCO1 1755448733 WORKSYXHVUKDMT-STQMWFEESA-N 316.423 -0.350 30 20 DBED C[C@@H]1[C@H](NC(=O)Cn2cccn2)CCCN1CC(=O)NCC#N 1755713623 BAMHPRDAZLUQCU-CHWSQXEVSA-N 318.381 -0.508 30 20 DBED C=C(C)CNCCOCCN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 1755877133 ZSDGPSCBVNTKJA-NSHDSACASA-N 312.370 -0.775 30 20 DBED C[C@H](CNC(=O)CSCC#N)N(C)C(=O)c1c[nH]c(=O)cn1 1756005434 IVNFQASBOPKQGD-SECBINFHSA-N 323.378 -0.397 30 20 DBED C=CCOCC(=O)NC1(CCO)CN(C(=O)Cc2cnc[nH]2)C1 1756078268 OGWQECRGIKLJJQ-UHFFFAOYSA-N 322.365 -0.766 30 20 DBED C#CCOCCC(=O)NC[C@H]1[C@@H]2CN(C(=O)[C@H](C)OC)C[C@H]12 1756202296 WXYIZVKOXJXLKY-XDQVBPFNSA-N 308.378 -0.118 30 20 DBED C=CCOCC(=O)NC[C@H]1C[C@H](NC(=O)CS(C)(=O)=O)C1 1756242948 JWMUGFAWOBXEGV-XYPYZODXSA-N 318.395 -0.755 30 20 DBED C=CC(C)(C)CC(=O)NC[C@@H](CO)NC(=O)CN(C)C(C)=O 1756523286 HDEOHDNRIOLTBJ-LBPRGKRZSA-N 313.398 -0.340 30 20 DBED C=CCOCC(=O)N1CC[C@H](NC(=O)[C@H](COC)OC)[C@H]1C 1757540888 FMJXRDHBRCKTTN-AGIUHOORSA-N 314.382 -0.044 30 20 DBED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc[nH]3)[C@H]2C1 1786001484 LXRAYPPQFOHRFU-GVXVVHGQSA-N 302.334 -0.364 30 20 DBED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CN(C)C1)C2 1802022740 KYPLYGRFJLWUQJ-MIFYACCESA-N 319.405 -0.449 30 20 DBED CNS(=O)(=O)c1ccc(C(=O)Nc2nc(C#N)c(C#N)[nH]2)o1 30643606 RFIYTMPIBGMDJG-UHFFFAOYSA-N 320.290 -0.094 30 20 DBED C#CCNC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 69428459 OHNSUNGDTJSXHP-UHFFFAOYSA-N 323.374 -0.584 30 20 DBED Cc1nccn1CCCNc1c(C#N)c(=O)n(C)c(=O)n1C 78333650 MQEAZVODINVOTP-UHFFFAOYSA-N 302.338 -0.037 30 20 DBED COC[C@@](C)(O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 86560599 NUSPQGMRZVDXKX-OAHLLOKOSA-N 304.350 -0.001 30 20 DBED CCN/C(N)=N/CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 264077202 GDXYSRQOWJVLCB-UHFFFAOYSA-N 315.355 -0.203 30 20 DBED N#C[C@@H]1CN(C(=O)NCCNC(=O)c2cccnc2)CCO1 264411567 QZLPXZFQYYFLJT-GFCCVEGCSA-N 303.322 -0.255 30 20 DBED N#Cc1cccc(S(=O)(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)c1 268316722 DJMPBTMHULARAJ-CMPLNLGQSA-N 309.347 -0.131 30 20 DBED C#CCN1CCN(S(=O)(=O)c2cnn(CCOC)c2)CC1 271108830 PHOGYGFYEBWKBW-UHFFFAOYSA-N 312.395 -0.531 30 20 DBED CCOC(=O)CO/N=C(/C(=O)N1CCN(C)CC1)c1cc[nH]n1 276734843 UJQVPLANOWMQGQ-GHRIWEEISA-N 323.353 -0.533 30 20 DBED CCOC(=O)CO/N=C(/C(=O)NC1=NO[C@@H](C)C1)c1cc[nH]n1 278424423 CPSCBIUDNVSJEW-UOGYTRGLSA-N 323.309 -0.068 30 20 DBED C=CCNC(=O)CNC(=O)[C@](C)(O)Cn1c(C)cccc1=O 280259344 JJEYIIWQADVRAL-OAHLLOKOSA-N 307.350 -0.674 30 20 DBED C#Cc1cccc(NC(=O)CNC(=O)CN(C)S(C)(=O)=O)c1 298935404 FCLZNUNTKJYZHH-UHFFFAOYSA-N 323.374 -0.386 30 20 DBED COCCCNC(=O)CN(C)CC(=O)N[C@](C)(C#N)C1CC1 302854280 GPAKYMGYHRURSR-OAHLLOKOSA-N 310.398 -0.121 30 20 DBED COC(=O)[C@H]1CN(S(=O)(=O)c2cncc(C#N)c2)CCO1 314919502 KKAVQBLYJVUZNW-LLVKDONJSA-N 311.319 -0.484 30 20 DBED N#C[C@H]1CN(C(=O)[C@@H]2CC[C@H](C(=O)N3CCOCC3)O2)CCO1 329276965 KOZDYXBWFKTWOS-XQQFMLRXSA-N 323.349 -0.856 30 20 DBED C[C@@](O)(C/N=C(/O)Cn1ccccc1=O)CN1CCOCC1 330068812 VTBAJOXFVFDWDZ-OAHLLOKOSA-N 309.366 -0.112 30 20 DBED CN1CCO[C@H](C/N=C(/O)N2CC(=O)N(CC(F)(F)F)C2)C1 330111914 BLYJUXWLFKQHSA-SECBINFHSA-N 324.303 -0.105 30 20 DBED CNC(=O)Cn1cc(N=C(O)N2CCN(CCOC)CC2)cn1 330655400 MOUFJEWRHRGFMN-UHFFFAOYSA-N 324.385 -0.561 30 20 DBED N#Cc1ccc(CS(=O)(=O)N2CCN(C(=O)CO)CC2)cc1 330790797 CFGZLEZPIZNTTB-UHFFFAOYSA-N 323.374 -0.475 30 20 DBED C[C@H](O)CN1CCN(C(=O)CNc2ccc(C#N)cn2)[C@@H](C)C1 331085878 ZUMRAYMDJMXBFC-STQMWFEESA-N 317.393 0.279 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N[C@H](C)CCS(C)(=O)=O 332515473 OQMGSVNFPCHUFJ-VHSXEESVSA-N 311.429 -0.265 30 20 DBED CC[C@@]1(O)CCN(S(=O)(=O)N(CCC#N)CCOC)C1 337130194 BRHGIRWRPMTVNP-GFCCVEGCSA-N 305.400 -0.060 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)c2ccc(OC)nn2)CC1 348806087 WHRUYCWZHGVZHN-UHFFFAOYSA-N 319.365 -0.455 30 20 DBED C[C@@H](C(=O)N(C)CCC#N)N1CCC[C@H](CS(N)(=O)=O)C1 358181697 BAMCYLWYAQHHJW-RYUDHWBXSA-N 316.427 -0.253 30 20 DBED N#Cc1c(F)cccc1-n1ccc(NC(=O)NC(CO)CO)n1 358706276 JLBMNHMMUIWICH-UHFFFAOYSA-N 319.296 0.358 30 20 DBED N#C[C@H]1COCCN1C(=O)CCCC(=O)N1CCOC[C@H]1C#N 362411928 WSVKPGMVZRLDAR-BETUJISGSA-N 320.349 -0.341 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N1CCN([C@H]2CCOC2)CC1 369223603 GQBQGSMZYAZCHV-STQMWFEESA-N 316.427 -0.128 30 20 DBED C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[C@@H](NC(=O)NC)C1 425897152 IOIKPDIZPSDMLQ-TUAOUCFPSA-N 324.381 -0.776 30 20 DBED C[C@@H]1OCC[C@@]1(O)CNC(=O)CNC(=O)c1ccc(C#N)cc1 447736009 IQRWSBNJKYAEJF-MEDUHNTESA-N 317.345 -0.056 30 20 DBED COCCN(CCC#N)S(=O)(=O)NC(COC)COC 451886727 DLYYWNVOQZADGN-UHFFFAOYSA-N 309.388 -0.656 30 20 DBED C#CCN1CCN(C(=O)CN2CCN(C(=O)NCC)CC2)CC1 490841934 XOFCFMFHHCMNCR-UHFFFAOYSA-N 321.425 -0.889 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)C(C)(C)c2cnc[nH]2)CC1 491690625 CBEQHSWWRSUUFH-UHFFFAOYSA-N 317.393 -0.419 30 20 DBED C#CCN(CC#N)CC(=O)Nc1cccc(S(N)(=O)=O)c1 491718758 WCOIIUCBBXXDSX-UHFFFAOYSA-N 306.347 -0.269 30 20 DBED CCOC(=O)N1CCCN(C(=O)Cn2cnc(C#N)n2)CC1 496005460 PFIKQOQVYLGBHZ-UHFFFAOYSA-N 306.326 -0.159 30 20 DBED C=CCn1c(-c2ccccn2)nnc1S(=O)(=O)C[C@H](O)CO 507499143 BZIKOWYGNNPMQZ-SNVBAGLBSA-N 324.362 -0.347 30 20 DBED CCC[C@@H](C#N)NC(=O)c1nc(N)nc(N2CCOCC2)n1 516974147 SFWGQHSHKWJSDA-VIFPVBQESA-N 305.342 -0.288 30 20 DBED C=CCCCS(=O)(=O)N[C@@H](CN1CCOCC1)C(=O)OC 555633945 XFPFMSVREHNRRH-LBPRGKRZSA-N 320.411 -0.254 30 20 DBED Cc1ccc(C(=O)NCC#CCO)cc1S(=O)(=O)NCC#N 570824983 WMSWLIPNJJUZEB-UHFFFAOYSA-N 321.358 -0.478 30 20 DBED N#Cc1cccc(S(=O)(=O)NCC(=O)NCc2cc[nH]n2)c1 589308797 CBNGBCFTHCZMKB-UHFFFAOYSA-N 319.346 -0.124 30 20 DBED N#Cc1ncn(CCNC(=O)C2(n3cnnn3)CCCCC2)n1 593156950 IQXQHMGMTWVRHQ-UHFFFAOYSA-N 315.341 -0.388 30 20 DBED CN1C(=O)N[C@]2(CCC[C@@H]2CN=c2cc[nH]c(C#N)n2)C1=O 594553073 RHTCQDIUVYQPLR-OTYXRUKQSA-N 300.322 -0.097 30 20 DBED C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC=CCC1 594637924 XJEUSWXDWFGZFA-NSHDSACASA-N 321.424 -0.200 30 20 DBED C=CCC[C@H](NC(=O)CC[C@@H]1NC(=O)NC1=O)C(=O)OCC 597732490 ITQZJEFRVZMKSP-UWVGGRQHSA-N 311.338 -0.011 30 20 DBED C=C[C@H](O)C(=O)N(CCN(CC)CC)[C@@H]1CCS(=O)(=O)C1 613013166 YIHTZEYRSWZMNJ-OLZOCXBDSA-N 318.439 -0.109 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccn(CC)n2)C1=O 618040573 PBZAZJGZIHIYAQ-UHFFFAOYSA-N 305.294 -0.182 30 20 DBED C#CCNC(=O)COC(=O)CN1CC(=O)Nc2ccccc21 733612947 VJHDQDUWIDVYFK-UHFFFAOYSA-N 301.302 -0.262 30 20 DBED CCN(C[C@@H](C)C#N)C(=O)COC(=O)[C@H](C)NS(C)(=O)=O 758488860 VXBNBADCSSBQPY-UWVGGRQHSA-N 319.383 -0.525 30 20 DBED CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)Cn1ncn(C)c1=O 781265202 AUCMSYRZHMXXDC-IINYFYTJSA-N 323.353 -0.432 30 20 DBED Cc1nn[nH]c1C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 790043198 OBLGMQUHWHRQLS-UHFFFAOYSA-N 314.353 -0.011 30 20 DBED C#CCC[C@H](O)CNC(=O)CN1C(=O)NC2(CCCC2)C1=O 799077979 VPGBOXRJDZLPGU-NSHDSACASA-N 307.350 -0.259 30 20 DBED C=CCS(=O)(=O)CCNC(=O)NCC1([S@@](C)=O)CC1 799382324 KJXMUAJWALCHAL-GOSISDBHSA-N 308.425 -0.203 30 20 DBED C#CCCCNC(=O)C(=O)NCCc1cccc(C(N)=O)c1 804270301 RRLRYDRRYCUSOJ-UHFFFAOYSA-N 301.346 -0.026 30 20 DBED C#CCN1CCN(C(=O)CN2CCC[C@@H](CC(=O)O)C2)CC1 817668707 VOAPGGFLIMVLAU-AWEZNQCLSA-N 307.394 -0.050 30 20 DBED CCCN1C[C@@H](C(=O)NS(=O)(=O)CCCC#N)CC1=O 842329013 KYIBWUBXDCGZEE-JTQLQIEISA-N 301.368 -0.005 30 20 DBED C/N=C(/NC)NCc1ccccc1S(=O)(=O)N(C)CCO 849214500 HNXSUSRHILVSEA-UHFFFAOYSA-N 314.411 -0.406 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N[C@H]1CCN(C(C)C)C1=O 875217711 MUKIYFSJRCJGLL-STQMWFEESA-N 323.393 -0.344 30 20 DBED C=CCNC(=O)NC(=O)CN1CCC(N2CCN(C)CC2)CC1 879590507 FTYOFWSJVINVSS-UHFFFAOYSA-N 323.441 -0.290 30 20 DBED N#C[C@H]1CN(S(=O)(=O)N2C[C@H]3CC[C@H]2[C@H](O)C3)CCO1 885816332 MOOMFKRMBXBWQE-FIQHERPVSA-N 301.368 -0.699 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(Cc2nncs2)c1=O 902180630 WTEDBDZSOGDHRR-UHFFFAOYSA-N 307.335 -0.557 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2CCN(C(=O)Cc3nc[nH]n3)C2)c1 936166857 CYEOPMJJAUAMJG-CYBMUJFWSA-N 324.344 -0.246 30 20 DBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)[C@@H]1CCN(C(=O)C(N)=O)C1 939383932 QJLQMUNTFDWFBJ-AGIUHOORSA-N 323.393 -0.098 30 20 DBED CCN(C(=O)c1nnn(C)n1)[C@@H]1CCN(C(=O)[C@@H](C)C#N)C1 942917238 HWUVVYMRBOBFEX-VHSXEESVSA-N 305.342 -0.567 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2cn(C)c(=O)nc2O)[C@@H](C)C1 944904975 AKQQGNWYQQOJQU-WCQYABFASA-N 318.377 -0.051 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(CC1)CN(C(=O)Cn1ncnn1)C2 945030283 HZBVSLBZXGBWPO-NSHDSACASA-N 317.353 -0.716 30 20 DBED O=C1NC[C@@H](C(=O)NC2CCN(C(=O)C#CC3CC3)CC2)N1 946696571 UPXVYDPBTLHPNO-LBPRGKRZSA-N 304.350 -0.812 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@]2(CCN(C(=O)Cc3nc[nH]n3)C2)C1 953210319 IWTQNLMQPBYLMG-XHDPSFHLSA-N 316.365 -0.042 30 20 DBED C=CCn1cc(C(=O)N2CC[C@@H](NC(=O)C(N)=O)C[C@H]2C)nn1 955697097 XYFZMXIXTDIZFW-NXEZZACHSA-N 320.353 -0.941 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](CNC(=O)c2nnc(O)nc2O)C1 958224062 SJJCKYTUONTFOZ-NXEZZACHSA-N 323.353 -0.729 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2cnc3c(c2)nnn3C)C1 958268359 UNUODPAAYPBILV-YPMHNXCESA-N 314.349 -0.981 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cccn2C)C1 958607990 UPZXMFVMJJWNPX-WXHSDQCUSA-N 304.350 -0.172 30 20 DBED Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)cn1 961589715 NXLDDYRHXGOCFM-BIMULSAOSA-N 302.334 -0.149 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1[C@H]2CN(CC(=O)N3CCC3)C[C@H]12 961825092 LRXWQSYIADBUQR-RFGFWPKPSA-N 319.405 -0.144 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC2(C1)CN(C(=O)[C@H]1CCCN1C)C2 965475931 YWTGPNOXMFMOAH-QWHCGFSZSA-N 320.393 -0.320 30 20 DBED C#CCCN1CCO[C@@]2(CCN(C(=O)Cn3cnnc3O)C2)C1 972349270 XWPYPGWJPIESIX-HNNXBMFYSA-N 319.365 -0.690 30 20 DBED CC#CCN1CCO[C@@]2(CCN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 972644550 ZHWYHQZIEAKHBK-BBRMVZONSA-N 305.378 -0.408 30 20 DBED C=C1CC(C)(C(=O)N[C@H]2C[C@H](NC(=O)Cn3ncnn3)C2)C1 973307609 SIXQXFYKAPMMMR-XYPYZODXSA-N 304.354 -0.207 30 20 DBED C=C(C)CN1C[C@H](NC(=O)CN2CC(=O)NC2=O)C(C)(C)C1 977362961 MIJCKPOPJFFIBH-NSHDSACASA-N 308.382 -0.059 30 20 DBED C[C@H](C(N)=O)N1C[C@H]2C(CNC(=O)c3cc(C#N)c[nH]3)[C@@H]2C1 977972337 CXBJJMYFVIICPU-ZHAHWJHGSA-N 301.350 -0.332 30 20 DBED C#CCN1C[C@H]2[C@H](CNC(=O)[C@@H]3COCCN3C(C)=O)[C@H]2C1 979086826 GAFLKPOIUZTQBW-XQLPTFJDSA-N 305.378 -0.839 30 20 DBED C=C(Cl)CN[C@H]1CCN(C(=O)Cn2ncn(C)c2=O)[C@H]1C 986448943 UFUAXMNNRQUSAY-QWRGUYRKSA-N 313.789 -0.087 30 20 DBED C=CCN[C@@H]1CCN(C(=O)Cn2ncn3nccc3c2=O)[C@@H]1C 987113530 UZWBRYAJGUNQKR-VXGBXAGGSA-N 316.365 -0.344 30 20 DBED CCn1nncc1C(=O)N1CC(NC(=O)c2c[nH]c(C#N)c2)C1 990931450 UGHZKIFCCMTKEN-UHFFFAOYSA-N 313.321 -0.248 30 20 DBED C=CCN1CC[C@@]2(NC(=O)Cn3ncn(C)c3=O)CCC[C@@H]12 991477147 XBZZXTPXFWUWEB-DOMZBBRYSA-N 305.382 -0.119 30 20 DBED O=C(N[C@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1O)c1n[nH]cc1F 991759216 SSAHJCBBCPVDQT-RYUDHWBXSA-N 320.324 -0.346 30 20 DBED C#CCN1CC[C@]2(NC(=O)C[C@@H]3CC(=O)NC3=O)CCC[C@H]12 992543412 GPPGJLNSKHJTGA-MQIPJXDCSA-N 303.362 -0.214 30 20 DBED C#Cc1cncc(C(=O)N2CC(NC(=O)[C@@H]3CCNC3=O)C2)c1 997429843 QJZSRDDWNPPWHZ-CYBMUJFWSA-N 312.329 -0.860 30 20 DBED C=CCN1CC[C@@H](n2cc(CNC(=O)[C@@H]3CNC(=O)N3)nn2)C1 1000013251 HBPOVQUWYFLBSF-NEPJUHHUSA-N 319.369 -0.992 30 20 DBED CCN1CCOC[C@H]1C(=O)NCC1CN(C(=O)[C@@H](C)C#N)C1 1002971144 JCPLKKVBFZNCGH-AAEUAGOBSA-N 308.382 -0.559 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCCN(C(=O)[C@H]3CNC(=O)N3)C2)C1 1010829036 CTSCFXKYDWBXJH-WDEREUQCSA-N 319.365 -0.722 30 20 DBED N#Cc1cc(C(=O)N2C[C@@H]3C(NC(=O)c4cnn[nH]4)[C@H]3C2)c[nH]1 1013385713 MFQUVMBUOQUZJC-UWVGGRQHSA-N 311.305 -0.495 30 20 DBED N#Cc1cccc(CN[C@H]2CCN(C(=O)Cn3ncnn3)C2)c1 1018850501 VVTFLTDXMAOJDR-AWEZNQCLSA-N 311.349 -0.065 30 20 DBED CN(C[C@H]1CCCCN1C(=O)C(N)=O)C(=O)c1c[nH]c(C#N)c1 1019794887 YOOJFERWDDAWMQ-GFCCVEGCSA-N 317.349 -0.175 30 20 DBED C#CCN[C@H]1C[C@@H](NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 1022073874 AMFMRWFVOVYHIZ-UTUOFQBUSA-N 301.350 -0.367 30 20 DBED C#CCN1CCC[C@H]1CNC(=O)c1ccc(=O)n(CCOC)n1 1028013527 LVCRECHRXCJHIH-ZDUSSCGKSA-N 318.377 -0.283 30 20 DBED C#CCCN1CCC[C@@H]1CNC(=O)c1cc(=O)n2[nH]cnc2n1 1028260868 OWLLUTCGQSRBMZ-LLVKDONJSA-N 314.349 -0.365 30 20 DBED C#CCCN1[C@H]2CC[C@H]1CN(C(=O)c1cn(C)c(=O)nc1O)C2 1029582477 STSLDEDZHHVFEB-RYUDHWBXSA-N 316.361 -0.202 30 20 DBED N#Cc1cc(C(=O)NC2CN([C@H]3CCC(=O)NC3=O)C2)c[nH]1 1030234812 HUUWYZOFPIBITD-NSHDSACASA-N 301.306 -0.894 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)c3ccnc(C)n3)C2)C1=O 1031403679 HXPFWCNPBKUXGL-CQSZACIVSA-N 315.377 -0.014 30 20 DBED C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)CN1CC(=O)N(C)C1=O 1032729036 RBWSKFYIJCWBHL-RYUDHWBXSA-N 306.366 -0.258 30 20 DBED C#CCN1CCC(C(=O)N(C)[C@@H]2CCN([C@@H](C)C(N)=O)C2)CC1 1033683115 DVKBALYGNFEGQP-DZGCQCFKSA-N 320.437 -0.262 30 20 DBED C#CCCN1CCO[C@@H](CNC(=O)c2ccc(=O)n(CC)n2)C1 1035550233 CZVHUIYCDWQSNQ-ZDUSSCGKSA-N 318.377 -0.283 30 20 DBED CC#CCN1CCO[C@@H](CNC(=O)c2nccnc2C(N)=O)C1 1035597069 IHCQZIGSWYKWTK-NSHDSACASA-N 317.349 -0.971 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2CCN2CC(=O)N(C)C)nc1 1038929941 FVOWQMCZPDEONP-ZDUSSCGKSA-N 300.362 -0.045 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@]1(O)CCN(C(=O)c2cnon2)C1 1039580716 YRMUBWFKLUIUSI-KGLIPLIRSA-N 324.337 -0.910 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@]1(O)CCN(C(=O)CCCF)C1 1039724779 BECDKWRWEOLBPJ-DOMZBBRYSA-N 314.357 -0.146 30 20 DBED CC#CCN1[C@H]2CCC[C@H]1CN(C(=O)c1nnc(O)nc1O)C2 1039730800 IQCGXPBISLOSNV-QWRGUYRKSA-N 317.349 -0.015 30 20 DBED C[C@H]1[C@@H](Nc2ccc(C#N)nn2)CCN1C(=O)Cn1cnnn1 1040049871 LKTLZGXPBLMNKS-ONGXEEELSA-N 313.325 -0.564 30 20 DBED Cc1nonc1C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1O 1041079053 SBAQNTIDKSDTMC-RKDXNWHRSA-N 315.293 -0.981 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)c3ncccn3)C2)cn1 1041137133 UUYVBOACXMFXPU-CHWSQXEVSA-N 310.317 -0.277 30 20 DBED C[C@@H]1CN(c2ccncc2C#N)C[C@H]1NC(=O)Cn1ncnn1 1042221898 RSSIRCRQYZXIKS-ZYHUDNBSSA-N 312.337 -0.419 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)C[C@@](C)(O)C2CC2)C1 1042627795 QJTDDLMAPKJZQR-MRXNPFEDSA-N 322.405 -0.114 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(O)CN(C(=O)COC(C)C)C1 1042806602 IHTATGQAZYXIEH-AWEZNQCLSA-N 314.382 -0.572 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(O)CN(C(=O)c2cn[nH]c2)C1 1042807160 OYAMPOIWZZNEGE-ZDUSSCGKSA-N 308.338 -0.960 30 20 DBED O=C(C#CC1CC1)NCC1(O)CN(C(=O)[C@H]2CCCCO2)C1 1042958912 PCEOBTAIFAFYHK-CYBMUJFWSA-N 306.362 -0.342 30 20 DBED CN1CCCC[C@H]1C(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042964500 HEQVUIOQQHNXHR-AWEZNQCLSA-N 319.405 -0.426 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2ccccn2)C1 1043042840 XWKRUCGBQAZRQQ-LBPRGKRZSA-N 317.345 -0.577 30 20 DBED C=C(C)CCC(=O)NCC1(O)CN(C(=O)CNC(=O)C2CC2)C1 1043312104 OFZNFQSRHZMAJK-UHFFFAOYSA-N 323.393 -0.442 30 20 DBED N#Cc1nccc(N2C[C@H](O)[C@H](NC(=O)c3cnns3)C2)n1 1043863446 OCIXOWWOEJQHDF-SFYZADRCSA-N 317.334 -0.821 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)C23CCN(CC2)C3)C1 1044460514 TXXLGCNWELARNW-UHFFFAOYSA-N 321.421 -0.016 30 20 DBED Cc1c[nH]c(C(=O)N[C@@H]2CN(c3ncccc3C#N)C[C@@H]2O)n1 1044633153 GEHFNNKKDQROSX-NEPJUHHUSA-N 312.333 -0.036 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)CCc2nccn2C)C1 1044658835 YUKPEFRYQXRCCN-NSHDSACASA-N 319.365 -0.798 30 20 DBED CC#CCCCC(=O)NCC1(O)CN(C(=O)[C@H]2CCC(=O)N2)C1 1044994595 WRHXRUBSLODHMC-GFCCVEGCSA-N 321.377 -0.852 30 20 DBED O=C(NCC1(O)CN(C(=O)C#CC2CC2)C1)c1ccncn1 1045165395 PQNBUZLODYDASN-UHFFFAOYSA-N 300.318 -0.807 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)c2cccnn2)C1 1045236296 ACJQWQGBTFEYQV-UHFFFAOYSA-N 304.350 -0.008 30 20 DBED C#CCN1CCC(C)(NC(=O)c2cnc(O)n(C)c2=O)CC1 1045520913 BJQPQBOHRNXBND-UHFFFAOYSA-N 304.350 -0.297 30 20 DBED CC1CCN(CC(=O)N2CC(O)(CNC(=O)[C@H](C)C#N)C2)CC1 1045546817 RKGCGIHJYNSHRN-CYBMUJFWSA-N 322.409 -0.433 30 20 DBED C=C[C@@](C)(CC)C(=O)NCC1(O)CN(C(=O)[C@H]2CCC(=O)N2)C1 1045778517 ZMCLBEBNWHGNOS-ABAIWWIYSA-N 323.393 -0.443 30 20 DBED C=C(C)CN1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C(N)=O)cn2C)C1 1047443441 FRJBFHWCINGEHY-KBPBESRZSA-N 320.393 -0.183 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCN(C(=O)CC)C2)C1 1047588905 VLIHARBJQIEPTK-IHRRRGAJSA-N 307.394 -0.618 30 20 DBED CO[C@H](C)CC(=O)N(C)[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 1048518816 MZRDQBUKWTWZMC-XBFCOCLRSA-N 308.378 -0.145 30 20 DBED C#CCOCCC(=O)N(C)[C@H]1CN(C(=O)C2(C)CC2)C[C@@H]1O 1048848436 YNQJETIBKJYICT-STQMWFEESA-N 308.378 -0.144 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)c1ccn(CCN(C)C)n1 1050921934 LYIAZQGAWVWKME-AWEZNQCLSA-N 319.409 -0.492 30 20 DBED C=CCN1CCOC[C@H]1CNC(=O)[C@@H]1CCN(C)S1(=O)=O 1051162807 XUAGTIXEMOOGGC-NEPJUHHUSA-N 317.411 -0.977 30 20 DBED C#CCCN1CCN([C@H]2CCN(C(=O)[C@@H]3CCC(=O)N3)C2)CC1 1052110028 KNKGZFGGXHGPAL-GJZGRUSLSA-N 318.421 -0.493 30 20 DBED C#CCN1CC2(C1)CN(C(=O)c1c(OC)ccnc1O)CCO2 1053510124 ZRZRNAYELNAILK-UHFFFAOYSA-N 317.345 -0.044 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)c3cnc(O)n3C)CO2)C1 1053892516 XFBDSNRRRNSHQL-LLVKDONJSA-N 304.350 -0.278 30 20 DBED C#CCN1CC[C@@]2(CCCN(C(=O)[C@H]3CN(C)C(=O)N3)C2)C1 1054178189 XVCOGADFHPCNFC-CJNGLKHVSA-N 304.394 -0.042 30 20 DBED C=CCCC(=O)N1CCC[C@@](CO)(NC(=O)[C@H]2CCC(=O)N2)C1 1055834948 CSRASPJKNUAVDY-MLGOLLRUSA-N 323.393 -0.299 30 20 DBED N#Cc1ccc(N2C[C@H]3C(NC(=O)c4cnnc(O)c4)[C@@H]3C2)nn1 1056333565 MYZAIJYVMQZEKB-GHMZBOCLSA-N 323.316 -0.292 30 20 DBED C=CCOCC(=O)N1CCC[C@H]2CN(C(=O)CNC(C)=O)C[C@H]21 1056629832 WDVKNTQFXWPLDG-UONOGXRCSA-N 323.393 -0.226 30 20 DBED CN(c1nccnc1C#N)[C@H]1CCN(C(=O)Cc2nc[nH]n2)C1 1056964538 QHECEWDVIPWPJR-JTQLQIEISA-N 312.337 -0.254 30 20 DBED Cc1cc(CC(=O)N(CCO)CCNC(=O)[C@@H](C)C#N)n[nH]1 1057321674 UWNPJRWGGHFXDV-JTQLQIEISA-N 307.354 -0.643 30 20 DBED Cn1ccc(C(=O)NCCN(CCO)C(=O)C#CC2CC2)c1 1057531109 FLQXTBFECIFBKL-UHFFFAOYSA-N 303.362 -0.011 30 20 DBED O=C(C#CC1CC1)NCCN(CCO)C(=O)Cn1ccnc1 1057996546 NWQSBXAYLDDKMU-UHFFFAOYSA-N 304.350 -0.766 30 20 DBED N#Cc1nccc(N2CCC[C@@H](NC(=O)[C@H]3CCC(=O)N3)C2)n1 1058126946 DAODCNQGCAASBS-GHMZBOCLSA-N 314.349 -0.288 30 20 DBED CN1CCOC[C@H]1C(=O)N[C@@H]1CCN(c2nccnc2C#N)C1 1058318700 FCMBXHKGFWBRFW-YPMHNXCESA-N 316.365 -0.626 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CCN(c3ccc4nnnn4n3)C2)c[nH]1 1058321065 RIFRKVAVYFVGOU-SNVBAGLBSA-N 323.320 -0.272 30 20 DBED Cc1nonc1CC(=O)N(CCO)CCNC(=O)[C@H](C)C#N 1058688061 DVHBCLYNKSYRJN-SECBINFHSA-N 309.326 -0.983 30 20 DBED CN1CCOC[C@H]1C(=O)N1CC[C@H](Nc2cnc(C#N)cn2)C1 1058854485 FBPMOEQHESMDCS-AAEUAGOBSA-N 316.365 -0.308 30 20 DBED C[C@@]1(C(=O)N[C@H]2C[C@H](Nc3nccnc3C#N)C2)CNC(=O)C1 1059355073 DTJDEHFNQLVDFZ-YHAQOWFVSA-N 314.349 -0.066 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](CCNC(=O)c2nnn(C)n2)C1 1060295388 VQELGYXWPPRWIZ-ZJUUUORDSA-N 305.342 -0.662 30 20 DBED N#Cc1cncc(NC[C@@H]2CCN(C(=O)C3(C(N)=O)CC3)C2)n1 1060969622 FHFASMZSGMPSQZ-JTQLQIEISA-N 314.349 -0.126 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)CCc1ncc[nH]1 1061544113 BAELAEXOPBSOOS-NWDGAFQWSA-N 319.365 -0.154 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1COCCN1C(=O)c1ccncn1 1061571737 GJKBHUMCDBMBQI-CYBMUJFWSA-N 314.345 -0.153 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1COCCN1C(=O)Cn1nccn1 1061571893 JDZOUYIPXAGGJR-CYBMUJFWSA-N 317.349 -0.965 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)C1(N(C)C)CCC1 1061655553 QZARZYGOSXOVHC-QWHCGFSZSA-N 322.409 -0.026 30 20 DBED C=CCCC(=O)N1CCOC[C@@H]1CNC(=O)[C@H]1CCN(C)C1=O 1061783797 ANOHADMTRTXBID-QWHCGFSZSA-N 323.393 -0.226 30 20 DBED N#Cc1ccc(N2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CCNC2=O)cn1 1062555283 CLFVDTUXFNVBPN-MELADBBJSA-N 311.345 -0.121 30 20 DBED N#Cc1nccc(N2CC[C@H]3CN(C(=O)C(N)=O)CC[C@H]32)n1 1064033652 OVZNSERDLFQVIS-VHSXEESVSA-N 300.322 -0.739 30 20 DBED C=CCCC(=O)N1CCO[C@@H](CNC(=O)[C@H]2CN(C)C(=O)N2)C1 1064959020 FNWREXXJTOFNGM-NWDGAFQWSA-N 324.381 -0.680 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CN(C(=O)C2(CN(C)C)CC2)CCO1 1065537368 OFZOKEFPWYRUGZ-OLZOCXBDSA-N 322.409 -0.169 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)[C@H](COC)OC)CCO1 1065591528 RZYBBOJCABLOHZ-OLZOCXBDSA-N 314.382 -0.042 30 20 DBED CCN(C)CCC(=O)N1CCO[C@@H](CNC(=O)[C@H](C)C#N)C1 1065611626 HARLCKRNHAASFC-OLZOCXBDSA-N 310.398 -0.169 30 20 DBED Cn1cnc(C(=O)NCC2[C@H]3CN(c4cncc(C#N)n4)C[C@H]23)n1 1068170930 OWOLPQNZMNJWKK-VXGBXAGGSA-N 324.348 -0.411 30 20 DBED C=CC(C)(C)CC(=O)N1CC2(C[C@@H](NC(=O)CC(N)=O)CO2)C1 1068783851 MZYPSGHRIVCISG-LLVKDONJSA-N 323.393 -0.050 30 20 DBED Cc1nc[nH]c1C(=O)N1CC2(C[C@H](NC(=O)[C@H](C)C#N)CO2)C1 1069007059 ABMPYXXKOPCSRB-KOLCDFICSA-N 317.349 -0.023 30 20 DBED N#CCN[C@@H]1CN(C(=O)c2ccns2)C[C@@H]1n1ccnn1 1070204906 ZYPZLMFEUBKNPU-ZJUUUORDSA-N 303.351 -0.087 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)c2cnsn2)CC1 1070943321 KMZJVZCAXNRDTG-UHFFFAOYSA-N 307.379 -0.565 30 20 DBED C[C@@H]1CN(C(=O)c2nccnc2N)C[C@@]2(CCN(CC#N)C2)O1 1071145981 DWIQWQLDUMLJLJ-ABAIWWIYSA-N 316.365 -0.112 30 20 DBED C[C@H]1CN(C(=O)CN2CCOCC2)C[C@]2(CCN(CC#N)C2)O1 1071156824 NNDAMLNNRPZHLQ-GOEBONIOSA-N 322.409 -0.466 30 20 DBED C[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1NC(=O)Cn1ncnn1 1072063872 RCGZHTONUQZMSA-VXGBXAGGSA-N 318.381 -0.314 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(C(=O)CCCF)C[C@H]1C 1072537991 RWVWVZSOIBMVGT-VXGBXAGGSA-N 311.357 -0.161 30 20 DBED C[C@H](C#N)C(=O)NC1(C)CCN(C(=O)[C@H]2CN(C)CCO2)CC1 1072922686 XJHXFBDRQPUWPE-CHWSQXEVSA-N 322.409 -0.026 30 20 DBED Cn1cnc(C(=O)NC[C@@H]2CN(CC#N)CCCO2)cc1=O 1073642215 JUUOUFNGURVTFG-LLVKDONJSA-N 305.338 -0.875 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)c3n[nH]c(C)c3O)C[C@@H]21 1074219509 QMFTXVGOEBCBHH-RYUDHWBXSA-N 304.350 -0.028 30 20 DBED N#CCSCC(=O)N1CC[C@@H]2CN(C(=O)C(N)=O)C[C@@H]2CC1 1074290756 GMRHUBRNLRCORT-PHIMTYICSA-N 324.406 -0.575 30 20 DBED C[C@@H]1C[C@H](NC(=O)CC(N)=O)CCN1C(=O)CSCC#N 1074908524 ZXHLYVVBHIHDMZ-NXEZZACHSA-N 312.395 -0.386 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)c2ccoc2CC(N)=O)C1 1077575181 KNGRZQGLNLDOQM-VXGBXAGGSA-N 307.350 -0.342 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(N(CC)C(=O)CNC(C)=O)C1 1079228810 BKHIXOBTRINZPG-LLVKDONJSA-N 309.366 -0.780 30 20 DBED C=CCCOCC(=O)N1CC(N(CC)C(=O)CNC(C)=O)C1 1079229320 VFHXARAZUUJQRF-UHFFFAOYSA-N 311.382 -0.226 30 20 DBED CCN(C(=O)CN1CCCC1=O)C1CN(C(=O)[C@@H](C)C#N)C1 1079290155 XUGAXIUFSGJGMG-NSHDSACASA-N 306.366 -0.172 30 20 DBED C#CCN1C[C@@H](NC(=O)c2nc(O)nc(O)c2OC)[C@H](C)C1 1080774050 ZMLAQOWSQCHBTC-RKDXNWHRSA-N 306.322 -0.420 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 1081346758 MIMKBNOECIQOFR-KBPBESRZSA-N 306.362 -0.462 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@H](CNC(=O)Cc2cc[nH]n2)C1 1081367491 BWVPIUYPYSKLGG-YPMHNXCESA-N 322.365 -0.910 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)CN2CCCC2)C[C@H]1O 1081444901 OKQLSSGXBOYDBZ-HUUCEWRRSA-N 321.421 -0.179 30 20 DBED CCNC(=O)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C#CC(C)C)C1 1081463125 JPQKNPRDDVHELR-QWHCGFSZSA-N 323.393 -0.893 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)CCCN(C)C)C[C@H]1O 1081465418 GWZZJUWCVQUTFG-LSDHHAIUSA-N 323.437 -0.077 30 20 DBED C#CCOCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CCCF)C1 1081662800 FIYVZQWJJQHGHN-QWHCGFSZSA-N 314.357 -0.289 30 20 DBED C=CCCCC(=O)NC[C@H]1CN(C(=O)Cn2cncn2)C[C@@H]1O 1081705912 WFPMERHGXGDKKF-STQMWFEESA-N 321.381 -0.430 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCO[C@H]2c2ccncc2)C1 1083468830 SVDNNOSXNXSSMP-WCVJEAGWSA-N 315.373 -0.046 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)C1 1083505065 ZFTOCCMOWOUILH-MJBXVCDLSA-N 321.421 -0.182 30 20 DBED Cn1cc([C@@H]2CN(C(=O)c3cncnc3)C[C@H]2NCC#N)cn1 1086976311 MEDAJKMAUGJUBB-UONOGXRCSA-N 311.349 -0.069 30 20 DBED CCO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1CNCc1nnnn1C 1087035769 MAEFDKQSLKARBZ-IJLUTSLNSA-N 321.385 -0.677 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)c1nnn(C)n1)Nc1ccc(C#N)nn1 1089450483 PEELFLLCHISBLC-DTWKUNHWSA-N 315.341 -0.119 30 20 DBED C=CCN1CC[C@@H](NC(=O)c2c(C)c(C)nn(C)c2=O)[C@H](O)C1 1090480933 XMSUDDLMVFSUID-CHWSQXEVSA-N 320.393 -0.252 30 20 DBED CNC(=O)NCC(=O)NC[C@H]1C[C@@H](Nc2cncc(C#N)n2)C1 1091411216 UQAULTQFPIHOFT-AOOOYVTPSA-N 317.353 -0.416 30 20 DBED Cc1cc(C#N)nc(N2C[C@@H](C)[C@H](CNC(=O)CC(N)=O)C2)n1 1092357703 CAWCKOBWZSNEGW-MWLCHTKSSA-N 316.365 -0.279 30 20 DBED C#CCNC(=O)CC(=O)N1CCN(c2cncc(C#N)n2)CC1 1093148770 QBZOQSDSXSDAED-UHFFFAOYSA-N 312.333 -0.864 30 20 DBED Cc1cc(C#N)nc(N2CCN(C(=O)CC(=O)N(C)C)CC2)n1 1093200388 KSRUNNDNQUTEJQ-UHFFFAOYSA-N 316.365 -0.216 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@H]2CN(c3cc(C)ncn3)C[C@H]12 1093265637 JKHQGKDHZYSHFD-RYUDHWBXSA-N 313.361 -0.525 30 20 DBED N#Cc1nc(=NCCNC(=O)CCN2CCCC2=O)cc[nH]1 1093660730 DQJIXGRVEDLVCH-UHFFFAOYSA-N 302.338 -0.689 30 20 DBED COCC(=O)NCCC(=O)NCCNc1ccc(C#N)nn1 1094196958 OVGQSFJCPVKPNZ-UHFFFAOYSA-N 306.326 -0.971 30 20 DBED C=C(C)CN1CCN(C(=O)[C@@H](C)OC)[C@@H]2CS(=O)(=O)C[C@@H]21 1094609855 OMPZOSGOHUGDRK-FRRDWIJNSA-N 316.423 -0.093 30 20 DBED CC(=O)N(C)CC(=O)N1CC[C@H](Nc2nccnc2C#N)C1 1096917953 GLGGIFORTLUEBJ-NSHDSACASA-N 302.338 -0.161 30 20 DBED CN(C)C(=O)CC(=O)N[C@H]1C[C@H](Nc2cncc(C#N)n2)C1 1097106429 QFCBPRAEWAQBQH-MGCOHNPYSA-N 302.338 -0.114 30 20 DBED C[C@@H](CCNC(=O)[C@H]1COCCO1)N=c1cc[nH]c(C#N)n1 1098901911 WXQNAGBCRHLXIO-WDEREUQCSA-N 305.338 -0.508 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)c2cc(C)no2)[C@H](O)C1 1099668064 AYGREALFWUYDHP-NWDGAFQWSA-N 322.365 -0.550 30 20 DBED N#CCN1CC[C@H](NC(=O)CCCn2ccccc2=O)[C@@H](O)C1 1099944258 KYSOMLYIVLEXPD-KBPBESRZSA-N 318.377 -0.297 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)c2cnc(O)n2C)[C@@H](O)C1 1099944377 MVJYMPRKOIWXKH-YPMHNXCESA-N 324.381 -0.507 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)C2(C)CCC2)[C@H](O)C1 1099944812 RATZKCWCSKUGAV-CHWSQXEVSA-N 307.394 -0.523 30 20 DBED CN1CC[C@@H](CC(=O)NCCN(C)c2nccnc2C#N)C1=O 1100194609 CCAPFEMLPYFSJR-NSHDSACASA-N 316.365 -0.231 30 20 DBED C#CCNC1CC(CNC(=O)CCc2nnc(O)nc2O)C1 1100476608 XRMLZERCSJXNJU-UHFFFAOYSA-N 305.338 -0.667 30 20 DBED C#CCNC(=O)CC(=O)NCCN(CC)c1cnc(C#N)cn1 1100496975 MZNHKFKOEVPCHB-UHFFFAOYSA-N 314.349 -0.570 30 20 DBED C=CCCCNC1CC(CNC(=O)CN2CC(=O)NC2=O)C1 1100767093 NPTXPYSOWJWMOK-UHFFFAOYSA-N 308.382 -0.011 30 20 DBED C#CCNC(=O)CC(=O)NCCN(c1cc(F)ncn1)C1CC1 1101317765 QDGLUTGWUQGOGB-UHFFFAOYSA-N 319.340 -0.160 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](C)[C@H](CNC(=O)CCN(C)C)C1 1102320594 KCXYOIVGLBXYIV-RBSFLKMASA-N 322.453 -0.240 30 20 DBED CC(=O)N(C)CC(=O)N(C)[C@@H]1CCN(c2cncc(C#N)n2)C1 1102671002 BAKMMCVVMSPANY-CYBMUJFWSA-N 316.365 -0.136 30 20 DBED CC[C@H](CNC(=O)C[C@H]1CCC(=O)N1)N=c1cc[nH]c(C#N)n1 1103125903 SNOPVUJDXIDPGB-GHMZBOCLSA-N 316.365 -0.254 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)C1=COCCO1 1103836162 WOIWGUPAEAMDLD-JTQLQIEISA-N 303.322 -0.177 30 20 DBED CC(=O)N(C)CC(=O)NC[C@H](C)CN=c1cc[nH]c(C#N)n1 1103876668 SMLJYZMXGVJPJH-SNVBAGLBSA-N 304.354 -0.587 30 20 DBED C[C@@H](CNC(=O)Cn1cncn1)CNc1cncc(C#N)n1 1103971245 YGHKZUGTOSNBPX-SNVBAGLBSA-N 300.326 -0.196 30 20 DBED C[C@H](CNC(=O)C[C@H](C)NC(N)=O)CNc1nccnc1C#N 1104099365 MAUVCTBZTBJYMC-ZJUUUORDSA-N 319.369 -0.041 30 20 DBED C[C@H](CNc1cncc(C#N)n1)N(C)C(=O)[C@H]1CN(C)CCO1 1104539250 XAPMJZFCBORTDG-DGCLKSJQSA-N 318.381 -0.062 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)Cc1nc[nH]n1 1104673421 OLYORVGUKPMZHC-SECBINFHSA-N 300.326 -0.610 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(n2cc(CNCCCO)nn2)C1 1105223746 HOCVICGVAHYVMU-OAHLLOKOSA-N 323.397 -0.540 30 20 DBED CC(C)C#CC(=O)N1CC(n2cc(CNC[C@H](C)O)nn2)C1 1105238091 JMRFPEMFXMRPQS-LBPRGKRZSA-N 305.382 -0.209 30 20 DBED N#CCNCc1cn(C2CN(C(=O)CCn3ccnc3)C2)nn1 1105295103 YYLDFJRGFIWXPZ-UHFFFAOYSA-N 314.353 -0.439 30 20 DBED CN(CCN(C)c1cnc(C#N)cn1)C(=O)[C@@H]1CC[C@@H]1C(N)=O 1105521059 ARMYIPMANDJXJB-NWDGAFQWSA-N 316.365 -0.246 30 20 DBED CN1C[C@@H](C(=O)N(C)CCN(C)c2ccncc2C#N)NC1=O 1105536333 XFTGIBHBNOUINF-LBPRGKRZSA-N 316.365 -0.129 30 20 DBED CO[C@H](C(=O)NC[C@H](O)CNc1ccc(C#N)nn1)C1CC1 1105832662 FVJGXFZRERLDED-YPMHNXCESA-N 305.338 -0.338 30 20 DBED Cc1cc(=NC[C@H](O)CNC(=O)[C@H]2CCN(C)C2)c(C#N)c[nH]1 1105853145 HXSCXCZHTJRRLE-JSGCOSHPSA-N 317.393 -0.476 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)c2c[nH]c(=O)cn2)nc1 1106090870 FECXKSMRBJCLFS-SNVBAGLBSA-N 314.305 -0.761 30 20 DBED Cn1cc(C(=O)NC[C@@H](O)CNc2ccc(C#N)nc2)nc1O 1106092577 JEPRFWFPKHUHOH-NSHDSACASA-N 316.321 -0.405 30 20 DBED CC[C@@H](NC(C)=O)C(=O)N[C@H](C)CCN=c1cc[nH]c(C#N)n1 1106581672 BFQWOKOVRYCSEI-ZYHUDNBSSA-N 318.381 -0.008 30 20 DBED C#CCCCC(=O)NCc1cn(C2CN([C@@H](C)C(N)=O)C2)nn1 1107164268 YMSWQBSQTBMKGQ-NSHDSACASA-N 318.381 -0.572 30 20 DBED C[C@]1(CNC(=O)c2ccco2)CN(CC(=O)NCC#N)CCO1 1107695156 WVOIPXHKAALGSO-HNNXBMFYSA-N 320.349 -0.260 30 20 DBED C[C@]1(CNC(=O)[C@H]2CCCc3nn[nH]c32)CN(CC#N)CCO1 1108163605 MTLIPLUJAOWRRM-NHYWBVRUSA-N 318.381 -0.045 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1 1108538665 LIQSUFLERQFFRZ-IAQYHMDHSA-N 306.366 -0.762 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H]1CC(=O)N(C2CN(CCF)C2)C1 1108546575 YOMAGGQMMLQLEZ-NEPJUHHUSA-N 311.357 -0.605 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCCN(C)C 1109652681 FCDAYLKJKKMCBS-ILXRZTDVSA-N 320.437 -0.201 30 20 DBED N#Cc1nc(=NC[C@H](NC(=O)[C@@H]2COCCO2)C2CC2)cc[nH]1 1109797270 ASOHXTCYIHGRRU-RYUDHWBXSA-N 317.349 -0.508 30 20 DBED Cc1cc(C#N)nc(NC2(CNC(=O)[C@H]3CCC(=O)N3)CC2)n1 1110082037 PGOLMWCXUIPVLM-LLVKDONJSA-N 314.349 -0.004 30 20 DBED C[C@]1(CNC(=O)CC(N)=O)CCCN(c2cncc(C#N)n2)C1 1110919208 BRHRNVPCHNNKHW-OAHLLOKOSA-N 316.365 -0.054 30 20 DBED CNC(=O)CC(=O)NC[C@@]1(O)CCN(c2ccc(C#N)cn2)C1 1111062806 QNEXLTLZKSKCIB-HNNXBMFYSA-N 317.349 -0.853 30 20 DBED COCC(=O)N(C)[C@H]1CN(c2cc(C)ncc2C#N)C[C@@H]1O 1111168595 BBDWJFQVFROXOK-KBPBESRZSA-N 304.350 -0.084 30 20 DBED CN(C(=O)CC(C)(C)O)[C@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1111181454 WSBZJVNOVXKLOM-RYUDHWBXSA-N 319.365 -0.483 30 20 DBED CNC(=O)CC(=O)N1C[C@@H](C)OC2(CCN(CC#N)CC2)C1 1111542286 OGNHLWYVVMYZBI-GFCCVEGCSA-N 308.382 -0.272 30 20 DBED N#Cc1cncc(NC2(CNC(=O)[C@H]3COC(=O)N3)CCC2)n1 1111803581 IFPYJJXQBGBELI-SNVBAGLBSA-N 316.321 -0.093 30 20 DBED C#CCO[C@H](C)C(=O)N1CCN(C[C@H](O)Cn2cccn2)CC1 1112841774 MFPPBKYSXIOQAZ-CABCVRRESA-N 320.393 -0.574 30 20 DBED C[C@@H](CNC(=O)[C@H]1COCCN1C)N(C)c1cnc(C#N)cn1 1113559659 BASGQJRPKIIARJ-WCQYABFASA-N 318.381 -0.380 30 20 DBED C[C@H](CNC(=O)[C@H]1CN(C)C(=O)N1)N(C)c1cnc(C#N)cn1 1113802216 JVWWPLGCCASIAW-MWLCHTKSSA-N 317.353 -0.687 30 20 DBED C=C(C)CN(CC)C(=O)CN1C[C@H]2C(NC(=O)CC(N)=O)[C@@H]2C1 1114092999 HPSQGIAAMPQWCO-VXGBXAGGSA-N 322.409 -0.667 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@@H]2CN(Cc3cnn(C)c3)C[C@@H]12 1114158048 PDLVTZVACRWRRV-CHWSQXEVSA-N 315.377 -0.894 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1[C@@H]2CN(Cc3nc(C)no3)C[C@@H]21 1114158079 PROWUURUMMRADX-HBYGRHMLSA-N 317.349 -0.936 30 20 DBED Cc1ccc(C(=O)NC2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]23)nn1 1114245209 JHFLNKPDSCYITR-GHMZBOCLSA-N 314.349 -0.915 30 20 DBED O=C(C#CC1CC1)NC1[C@@H]2CN(CC(=O)NCC3CC3)C[C@@H]12 1114253612 RHAIOFOXYMSKJC-ZIAGYGMSSA-N 301.390 -0.028 30 20 DBED C#CCOCCC(=O)NC1[C@@H]2CN(Cc3cnn(CC)n3)C[C@@H]12 1114266655 UNGVFYZLDJEKOG-ZIAGYGMSSA-N 317.393 -0.116 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)c3cc[nH]c3)[C@H]2C1 1114311223 JRJLLAUSTRNRKC-ZZVYKPCYSA-N 300.362 -0.187 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3ccns3)[C@H]2C1 1114343033 GXVDTFJPSDWIHB-IWIIMEHWSA-N 304.375 -0.448 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@@H](C3CC3)N(C)C)[C@H]2C1 1114410374 UVWNMMYPWCDINH-BFJAYTPKSA-N 318.421 -0.878 30 20 DBED CNC(=O)C1(C(=O)N[C@H]2[C@@H]3CN(CC#CCOC)C[C@@H]32)CC1 1114972549 NRIJGMGUJRXSFS-ITGUQSILSA-N 305.378 -0.791 30 20 DBED CNCCCc1[nH]nc(NC(=O)C2CN(C(C)=O)C2)c1C#N 1116736150 OJXBHPNJLXRNSL-UHFFFAOYSA-N 304.354 -0.150 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCc1ncn(C)n1 1117724325 FRASZRNIFFFYKK-PWSUYJOCSA-N 307.354 -0.471 30 20 DBED Cc1cc(N2CC[C@H](NC(=O)[C@@H](N)CCCC#N)C2=O)n(C)n1 1118125537 SQIJFUKZKOWDGB-RYUDHWBXSA-N 318.381 -0.029 30 20 DBED CC(C)(C)C(=O)C(=O)NC[C@@H](CO)Nc1nccnc1C#N 1121229227 ULJJIYWXIAFTDT-VIFPVBQESA-N 305.338 -0.148 30 20 DBED CCC(=O)NCC(=O)NC[C@H](CO)Nc1ccc(C#N)cn1 1121242170 PUNAYCVLWXOUBH-LLVKDONJSA-N 305.338 -0.632 30 20 DBED Cc1nc(C(=O)NC[C@H](CO)Nc2cnc(C#N)cn2)co1 1121372076 UJPJTGCJLUCLNO-SNVBAGLBSA-N 302.294 -0.153 30 20 DBED C#Cc1ccc(C(=O)NC[C@H](CO)N=c2cc[nH]c(C#N)n2)nc1 1121846894 DRHFGDAOPDTJPX-GFCCVEGCSA-N 322.328 -0.651 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)c2cnnc(O)c2)nc1 1122158417 OTURTGKOXTWTHT-LLVKDONJSA-N 314.305 -0.348 30 20 DBED CC(=O)NCC(=O)N1C[C@@H](Nc2cncc(C#N)n2)C[C@H]1C 1123120274 FDCUGODXZKROFU-KOLCDFICSA-N 302.338 -0.114 30 20 DBED CC(=O)N(C)CC(=O)N(C)C[C@@H](O)CNc1cnc(C#N)cn1 1124112647 YWIWXWPRACOBJG-LBPRGKRZSA-N 320.353 -0.942 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)C[C@H]2COC(=O)C2)C1=O 1125687690 HMFYAYVNVQYBAN-NEPJUHHUSA-N 309.366 -0.568 30 20 DBED C=C[C@](C)(O)CC(=O)NCCNCC(=O)NCc1cccnc1 1126359802 CMRGTNXYKSIXAY-INIZCTEOSA-N 320.393 -0.269 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCNC[C@H](C)CS(C)(=O)=O 1126382761 BKENOSFODGJYII-WCQYABFASA-N 306.428 -0.300 30 20 DBED CC(C)C#CC(=O)NCCN[C@H](C)C(=O)NC(=O)NC(C)C 1126833754 CNNIPMAXBWKXII-GFCCVEGCSA-N 310.398 -0.026 30 20 DBED C#CCNCc1nnc2n1CC[C@H](NC(=O)c1cnon1)CC2 1128048586 OAZYOEYKWQTZDC-SNVBAGLBSA-N 315.337 -0.481 30 20 DBED N#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)CCCCC(N)=O)C1 1129386014 VTNFAUDJRGMPTF-NEPJUHHUSA-N 319.369 -0.811 30 20 DBED C#CCCN[C@@H]1CN(C(=O)c2cnn[nH]2)C[C@H]1c1cn(C)cn1 1130622240 ZBQIXLMPVLJISN-SMDDNHRTSA-N 313.365 -0.241 30 20 DBED CC#CCN1CCOC[C@@H]1c1n[nH]c(CNC(=O)COCC)n1 1130831926 RASXLQQNNFVYDE-GFCCVEGCSA-N 321.381 -0.146 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@@H](COC)OC)C[C@H]1c1cncn1C 1131064798 SRQQXPNOUHHWSZ-UMVBOHGHSA-N 320.393 -0.401 30 20 DBED C#CCN1CC[C@@]2(C1)CN(C(=O)CNC(=O)CC)C[C@@H](C)O2 1131645893 MTNILJNMKTXNJY-CZUORRHYSA-N 307.394 -0.162 30 20 DBED Cc1cc(C(=O)NCCNCC(=O)NCC#N)c2nccn2c1 1131745966 KSMOLRIMQUODMW-UHFFFAOYSA-N 314.349 -0.398 30 20 DBED C=CCN[C@H](C)C[C@@H](C)NC(=O)CN(C)S(=O)(=O)N(C)C 1134351983 MRLZXNDLVJIBQH-VXGBXAGGSA-N 320.459 -0.217 30 20 DBED COCC#CCN[C@H](C)C[C@@H](C)NC(=O)Cn1ncn(C)c1=O 1134787692 OCRNYDVHNDZOKN-CHWSQXEVSA-N 323.397 -0.896 30 20 DBED C=CCn1cc(C(=O)NCCNCCCS(C)(=O)=O)nn1 1134973352 NXZDNODVJAVIBV-UHFFFAOYSA-N 315.399 -0.782 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1cnn(C)c1C(F)F 1147410118 MJYNWIZAWVDHSJ-UHFFFAOYSA-N 315.324 -0.021 30 20 DBED C#Cc1ccc(C(=O)NCCNCC(=O)Nc2cnccn2)cn1 1148383182 WQCYXKAFTMMWPK-UHFFFAOYSA-N 324.344 -0.189 30 20 DBED Cn1ncnc1COCC(=O)N1CC2(CCN(CC#N)C2)C1 1148524369 JKYCPNOCRHGBDO-UHFFFAOYSA-N 304.354 -0.610 30 20 DBED N#CCNC(=O)CN1CCCO[C@@H](CNC(=O)c2ccoc2)C1 1149153878 NFCVRMNSPGSDRS-ZDUSSCGKSA-N 320.349 -0.260 30 20 DBED N#CCSCC(=O)NC[C@H]1CN(CCCO)CCCO1 1149206874 HUDXVVQVHITWOF-LBPRGKRZSA-N 301.412 -0.167 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN([C@H](CC)C(N)=O)CCCO1 1149385099 ZLEOTFRCXAOGEC-CHWSQXEVSA-N 313.398 -0.340 30 20 DBED C[C@@H](C(=O)NC[C@@H]1CN(CC#N)CCCO1)S(C)(=O)=O 1149903194 KYOPJERIWVHDIJ-WDEREUQCSA-N 303.384 -0.850 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)c1ccc(C(N)=O)cc1 1150766120 URULOKWUUWAPDM-LLVKDONJSA-N 318.377 -0.204 30 20 DBED C=CCNC(=O)CN(CC)[C@H](C)CNC(=O)[C@H]1COC(=O)N1 1153070532 KRZAJUQJRDTOQG-GHMZBOCLSA-N 312.370 -0.776 30 20 DBED N#CCSCC(=O)NCCCNC[C@H]1CCS(=O)(=O)C1 1154814266 FIKVALSYWYAPBF-LLVKDONJSA-N 319.452 -0.226 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)c1nccnc1N 1155951886 ZPGRMBZZOYGHPV-JTQLQIEISA-N 306.370 -0.541 30 20 DBED C=CCCCN1CCO[C@@H]2CCN(C(=O)CNC(N)=O)C[C@H]21 1176907947 TZTMJSHXRVQKED-CHWSQXEVSA-N 310.398 -0.077 30 20 DBED C=C(C)CN1CCO[C@@H]2CCN(C(=O)CNC(=O)NC)C[C@@H]21 1177024605 JCZIZBKPVZGZHV-QWHCGFSZSA-N 310.398 -0.207 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)c2cc[nH]n2)[C@H]1C 1178160798 RTWOVRVCACBKBK-WOPDTQHZSA-N 303.366 -0.260 30 20 DBED N#CCNC(=O)CN[C@@H]1CCN(C(=O)c2ccc(F)nc2)C1 1181680952 CKZHPIANYQNUJE-LLVKDONJSA-N 305.313 -0.335 30 20 DBED CN(CC(=O)NCC#N)[C@@H]1CCN(C(=O)CC[C@@H]2CCOC2)C1 1189592693 BABKZUFGBSPDIT-ZIAGYGMSSA-N 322.409 -0.024 30 20 DBED C=CCN(C)[C@H]1CCN(C(=O)CN(C)S(=O)(=O)N(C)C)C1 1190137384 OTZWDKIHQVRBIN-LBPRGKRZSA-N 318.443 -0.557 30 20 DBED C=CCCN(C)[C@H]1CCN(C(=O)CN2CCN(C)C(=O)C2)C1 1191030214 RTSHAGZAYPNITM-AWEZNQCLSA-N 308.426 -0.131 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(CCn2nc(C)cc2C)C[C@H]1O 1191777447 MAGRWKAUIYDBCT-HUUCEWRRSA-N 322.409 -0.136 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2C[C@@H]2C(F)F)C1 1192580943 PINKXCXIKQKONG-UKKRHICBSA-N 317.336 -0.649 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2nccc(C)n2)C[C@H]1O 1192891007 FYQLVASEPFUANN-BFHYXJOUSA-N 318.377 -0.515 30 20 DBED CCN(C)CCC(=O)N1CC[C@H](N(C)CC(=O)NCC#N)C1 1193291201 FWJGETVPFJGEJL-ZDUSSCGKSA-N 309.414 -0.499 30 20 DBED C#CCNC(=O)[C@H](C)N1CCCN(C(=O)[C@@H]2CCCN2C)CC1 1195267446 JYMKQRHUTYBHOT-GJZGRUSLSA-N 320.437 -0.247 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCCN(CCN2CCNC2=O)CC1 1195682439 QOVLBTPSAKSHCN-MRXNPFEDSA-N 324.425 -0.127 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)[C@H](C)Cc2cnc[nH]2)C1 1196827120 SKARXGRFNHQVMH-BPLDGKMQSA-N 322.409 -0.048 30 20 DBED CC(C)N(C)C(=O)C1(C(=O)N[C@@H]2CN(CC#N)C[C@H]2O)CC1 1197310755 JCVGFCRSEMFQLT-VXGBXAGGSA-N 308.382 -0.682 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H](c2cccnc2)N(C)C)C1 1199164843 XOKWUOQAPBWZGB-BZUAXINKSA-N 316.405 -0.131 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(Cc2cncn2C)C[C@H]1O 1199284811 VSFMIRUHLGXGRY-ZIAGYGMSSA-N 308.382 -0.326 30 20 DBED C=CCOCCNC[C@H]1CN(C(=O)c2ncn(C)n2)CCCO1 1200436512 QABMDENTQJDPSS-ZDUSSCGKSA-N 323.397 -0.162 30 20 DBED C#CCOCCC(=O)N1CCC(N[C@H]2CCCNC2=O)CC1 1200523455 SQMOLMJHLRRWDR-AWEZNQCLSA-N 307.394 -0.115 30 20 DBED C=CCn1cccc1C(=O)N1CCCO[C@H](CNCC(N)=O)C1 1200695809 DNYYEXNCHAUPAG-CYBMUJFWSA-N 320.393 -0.020 30 20 DBED C#CCNC[C@@H]1CN(C(=O)c2cc(C(N)=O)cn2C)CCCO1 1200893605 DKDLIVSWXROUIU-CYBMUJFWSA-N 318.377 -0.422 30 20 DBED C#CCNC[C@@H]1CN(C(=O)[C@@H]2CN(C(C)C)CCO2)CCCO1 1201245238 DXINPAOSGRYTLM-CVEARBPZSA-N 323.437 -0.064 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1C[C@@H](NCCCO)C12CCC2 1202782141 FJVDHALKWAOEHF-OLZOCXBDSA-N 307.394 -0.475 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)CN(C)C(C)=O)C1 1207429755 FHKOBTHYKOOVNJ-CYBMUJFWSA-N 310.398 -0.653 30 20 DBED C=C(C)CCN[C@@H]1CCCN(C(=O)CN2CCNC(=O)C2)C1 1208930746 OBWXAWMRIPHZEW-CQSZACIVSA-N 308.426 -0.035 30 20 DBED COCC#CCN[C@H]1CCCN(C(=O)[C@H]2CCN(C)C2=O)C1 1209119537 AMRRLSHPGRIHSR-KBPBESRZSA-N 307.394 -0.305 30 20 DBED C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H]1CCCN(C(=O)C(N)=O)C1 1209365607 JNGVONJSCGORJQ-QWHCGFSZSA-N 324.425 -0.135 30 20 DBED C[C@@]1(C(=O)N2CCC[C@H](NCC(=O)NCC#N)C2)CCOC1 1210315320 NHEWBPZUAJUXGO-SWLSCSKDSA-N 308.382 -0.367 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)c2cn(C)c(=O)cn2)C[C@H]1C 1215188217 CLZYMMWEHUBKOI-CHWSQXEVSA-N 318.377 -0.520 30 20 DBED C=CCCCN[C@@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@H]1C 1215302793 JIDVDXABOIMEBI-ZIAGYGMSSA-N 308.426 -0.179 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)C3CCOCC3)[C@@H]2C1 1221217693 QIEWLCBITCAHJX-HUUCEWRRSA-N 319.405 -0.305 30 20 DBED C#CCCN1CCC(CNC(=O)CN(C)S(C)(=O)=O)CC1 1223374033 JNEMANPNAZXEOI-UHFFFAOYSA-N 315.439 -0.271 30 20 DBED Cc1ncc(CC(=O)NC2CCN(CC(=O)NCC#N)CC2)o1 1227783781 INFIGIFEXLAIBR-UHFFFAOYSA-N 319.365 -0.254 30 20 DBED COC[C@@](C)(C#N)NC(=O)CS[C@H]1CCS(=O)(=O)C1 1252999349 AOGPWLAOXGURDF-GXSJLCMTSA-N 306.409 -0.048 30 20 DBED CCN(C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)C1 1261486049 PEURBJNCSMDACJ-XJKSGUPXSA-N 322.409 -0.336 30 20 DBED Cc1cc(C)n(CC(=O)N[C@H]2CCN(CC(=O)NCC#N)C2)n1 1266330479 FNWPCESSXPAREJ-ZDUSSCGKSA-N 318.381 -0.670 30 20 DBED CO[C@H](C(=O)N[C@@H]1CCN(CC(=O)NCC#N)C1)C1CCC1 1266333330 LJJYPNGECJFLHL-OCCSQVGLSA-N 308.382 -0.368 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@H](NC(=O)CC2(O)CCC2)C1 1316976038 HXXWVKTYWRVFHT-STQMWFEESA-N 307.394 -0.380 30 20 DBED C[C@H](C#N)CNS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 1318936654 XQROZLTVOHTOSH-SSDOTTSWSA-N 308.319 -0.346 30 20 DBED O=C(CN1CSCC1=O)NCCN/C(O)=C1\N=CC=CC1=O 1321725478 KBWUXZIVROBYOU-OUKQBFOZSA-N 324.362 -0.838 30 20 DBED C#CCOCCNC(=O)C(=O)NCC1(SC)CCOCC1 1323156823 CJLKSOGYBVVHDF-UHFFFAOYSA-N 314.407 -0.219 30 20 DBED C=CCn1nnn(CN2CCC(OCC(N)=O)CC2)c1=S 1323607235 HQFHJYFRCKQIHE-UHFFFAOYSA-N 312.399 -0.081 30 20 DBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCO[C@H](C#N)C1 1324183031 VWXGJIPLXSGINW-XQQFMLRXSA-N 307.350 -0.165 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CCC[C@@H](CO)[C@@H]2C)nn1 1329222992 NPOABBWTHUAZRE-RYUDHWBXSA-N 321.381 -0.300 30 20 DBED COCCn1nnc2c1CCN(S(=O)(=O)CCCC#N)C2 1330289900 NFYLRPAYGSDSIP-UHFFFAOYSA-N 313.383 -0.084 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)Nc1cccc(C(N)=O)n1 1331783759 JCCMQBXEOBCQGG-JTQLQIEISA-N 318.333 -0.336 30 20 DBED C#CCOCCn1nnnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1334469871 LBMSRQKAMIZMPO-TZMCWYRMSA-N 307.354 -0.293 30 20 DBED C=CCn1nnnc1N1CCN(S(=O)(=O)NC(C)C)CC1 1335212997 YGSXLVSTYQDOJO-UHFFFAOYSA-N 315.403 -0.776 30 20 DBED N#C[C@]1(NC(=O)c2ccnc3c(C(N)=O)cnn23)CCSC1 1341476753 ZGRRSQWZVSDGSE-CYBMUJFWSA-N 316.346 -0.043 30 20 DBED N#C[C@H](C(=O)c1cccnc1)C(=O)N1CCS(=O)(=O)CC1 1342560371 OPCVRHYWVXOXDM-LLVKDONJSA-N 307.331 -0.339 30 20 DBED COC(=O)CCCNC(=O)C(=O)Nc1ccn(CCC#N)n1 1345036305 GFRHBRZQNRUEJL-UHFFFAOYSA-N 307.310 -0.195 30 20 DBED N#Cc1cc(C(=O)N2CCN(c3cnc(O)nc3N)CC2)c[nH]1 1362666742 ORRGDMUPISMXTQ-UHFFFAOYSA-N 313.321 -0.073 30 20 DBED CN(CCNC(=O)Cn1cnnn1)Cc1ccc(C#N)s1 1371910991 KRQHXAGVQMJATK-UHFFFAOYSA-N 305.367 -0.146 30 20 DBED C[C@@H](CNC(=O)[C@H](C)C#N)NC(=O)c1ccn(CCN(C)C)n1 1373076593 WHJHVJIYDXSZMM-NEPJUHHUSA-N 320.397 -0.161 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CN(C)C(=O)Cc1ccn(C)n1 1384220028 SVZJAWFGMFIKJB-ZYHUDNBSSA-N 307.354 -0.942 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CCCN1C(=O)[C@H]1CCC(=O)N1C 1399279891 CITJJMFTSZEQBB-QJPTWQEYSA-N 306.366 -0.126 30 20 DBED CNC(=O)NCC(=O)NC[C@H](C)NC(=O)c1ccc(C#N)[nH]1 1400164017 CCLHPAXXTXOMFS-QMMMGPOBSA-N 306.326 -0.950 30 20 DBED CCc1ocnc1C(=O)NCCn1cc(C#N)c(O)nc1=O 1412368854 AELAYZIKROKWHL-UHFFFAOYSA-N 303.278 -0.199 30 20 DBED Cc1cc(COCC(=O)NC2CN(C(=O)[C@@H](C)C#N)C2)no1 1416009702 RRUWETHDWDDGIG-VIFPVBQESA-N 306.322 -0.014 30 20 DBED COCc1noc([C@H](C)N2CC(O)(CNC(=O)[C@@H](C)C#N)C2)n1 1421417308 JXXLYRGKNWQGLY-UWVGGRQHSA-N 323.353 -0.400 30 20 DBED CC1CCN(CC(=O)N(C)C[C@H](O)CNC(=O)[C@H](C)C#N)CC1 1428249366 VLKIUTUXPMGAPD-ZIAGYGMSSA-N 324.425 -0.187 30 20 DBED COC(=O)NCC(=O)NC[C@@H]1CCN1C(=O)c1cc(C#N)c[nH]1 1453105791 XSZOCJNXCKQPNA-JTQLQIEISA-N 319.321 -0.427 30 20 DBED Cc1n[nH]c(C)c1CCC(=O)NC[C@@H](O)CNC(=O)[C@@H](C)C#N 1457987530 RVPVAPOCKBLNMU-JOYOIKCWSA-N 321.381 -0.288 30 20 DBED CNC(=O)CCCC(=O)NC1CN(C(=O)c2c[nH]c(C#N)c2)C1 1498156288 MTEOQWWDRCEVFR-UHFFFAOYSA-N 317.349 -0.257 30 20 DBED CCCC[C@@H](NC(N)=O)C(=O)N1CC(CNC(=O)[C@@H](C)C#N)C1 1498676959 HDLSCTQFTNTGOM-CMPLNLGQSA-N 323.397 -0.052 30 20 DBED CCc1nnc(N2CCO[C@H](C#N)C2)n1Cc1cnnn1C 1546545934 OGSQOPURPCONSX-LLVKDONJSA-N 302.342 -0.254 30 20 DBED N#C[C@]12CN(Cc3oncc3C(=O)O)C[C@H]1CS(=O)(=O)C2 1571111214 HBEQVJPAVZKAMM-QPUJVOFHSA-N 311.319 -0.257 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(C(=O)C2(NC(N)=O)CC2)[C@@H]1C 1573460723 OIRHGMJAARVGBI-MNOVXSKESA-N 324.381 -0.505 30 20 DBED CC(C)N(CCC(=O)O)C(=O)Cn1cc(C#N)c(O)nc1=O 1573519561 ONAPCTAMMHIVRC-UHFFFAOYSA-N 308.294 -0.468 30 20 DBED N#Cc1nc(N)n(C[C@H]2CCCS(=O)(=O)C2)c1-c1nn[nH]n1 1581878664 WTBMULFPYCUMQZ-SSDOTTSWSA-N 322.354 -0.658 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCC[C@H]1CC(=O)O)[C@H]1CCCO1 1588371080 VLWXKVUIUQRODQ-SDDRHHMPSA-N 308.334 -0.251 30 20 DBED CC(C)[C@](C)(C#N)NC(=O)CN1CCN(C(=O)C(=O)O)CC1 1588811784 AYCXFOMXYNCULQ-AWEZNQCLSA-N 310.354 -0.730 30 20 DBED C[C@]1(C#N)CCCN(C(=O)C(=O)N2CCO[C@@H](C(=O)O)C2)C1 1589181575 ABNAEAKLCMOQNP-QMTHXVAHSA-N 309.322 -0.549 30 20 DBED COCC#CCNCCN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 1591361436 LZWDTDIHHAJZRR-UHFFFAOYSA-N 317.353 -0.494 30 20 DBED COc1ncc(Cn2c(N)nc(-c3nn[nH]n3)c2C#N)c(C)n1 1591663764 XXHOOBKAMJWTAM-UHFFFAOYSA-N 312.297 -0.328 30 20 DBED Cc1nnc(CCNc2cnc(-c3nn[nH]n3)c(C#N)n2)n1C 1592441788 YWLIMULLDHMBLL-UHFFFAOYSA-N 311.313 -0.380 30 20 DBED COC(=O)[C@@H]1CN(C(=O)c2cc(C#N)ccn2)C[C@@H]1C(=O)O 1598818856 RQASLXKYSNRRRH-VHSXEESVSA-N 303.274 -0.101 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)O)CCO1 1601062696 ISPRVGPNQSCBST-BBBLOLIVSA-N 303.340 -0.702 30 20 DBED N#Cc1cc(C(=O)O[C@@H]2COC[C@H]2n2cc(C(=O)O)nn2)c[nH]1 1601087223 HOIPYEMKANMZBX-GHMZBOCLSA-N 317.261 -0.027 30 20 DBED N#Cc1nc(=N[C@H]2C[C@H](CNC(=O)[C@@H]3C[C@H]3C(=O)O)C2)cc[nH]1 1601134042 FNWKPTWQOFIVQJ-GWOFURMSSA-N 315.333 -0.202 30 20 DBED C#CC[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)CC)C1)C(=O)O 1602685542 WXFUSKPZHQGMMV-WDEREUQCSA-N 316.379 -0.359 30 20 DBED C=CCCC[C@H](NC(=O)CN1CCCS1(=O)=O)C(=O)O 1602865060 CQAVUYFTGSDIQC-JTQLQIEISA-N 304.368 -0.052 30 20 DBED CC#CCNCCS(=O)(=O)c1ccc(-c2nn[nH]n2)cn1 1602896884 HRJCWSIRQCAQKK-UHFFFAOYSA-N 306.351 -0.352 30 20 DBED N#C[C@H]1CN(S(=O)(=O)c2cncc(-c3nn[nH]n3)c2)CCO1 1606345498 JKGXCFXRUMSRMJ-VIFPVBQESA-N 321.322 -0.825 30 20 DBED N#Cc1c[nH]c(C(=O)N2CCN(C(=O)[C@@H]3C[C@H]3C(=O)O)CC2)c1 1608195086 GDQRBYPMFVYPPZ-GHMZBOCLSA-N 316.317 -0.109 30 20 DBED N#Cc1ccc(NCC(=O)N2CCC(O)(C(=O)O)CC2)nc1 1610628777 FRXXSRXFUBPWPA-UHFFFAOYSA-N 304.306 -0.197 30 20 DBED C#CCOCCC(=O)N[C@H]1CCN([C@H]2CCN(CC)C2=O)C1 1713822220 HCAQASNNEPDPDW-KBPBESRZSA-N 307.394 -0.162 30 20 DBED C#CCOCCC(=O)N1CC[C@]2(CCN(C[C@H](O)COC)C2)C1 1716732694 ZTAOIXKOAFGKSX-RDJZCZTQSA-N 324.421 -0.042 30 20 DBED CO[C@@H]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NCC(=O)NCC#N)C1 1752640386 YQLNYMGSGPFITE-FDYHWXHSSA-N 308.382 -0.322 30 20 DBED C#CCNC(=O)CN(C)CCNC(=O)c1oc(CC)nc1C 1753069639 NETPNIDRIWDSEO-UHFFFAOYSA-N 306.366 -0.044 30 20 DBED C=CCN1CC[C@@H](CNC(=O)Cn2ccc(=O)n(C)c2=O)C1 1753130651 XBJGFEOBMXTKPY-LBPRGKRZSA-N 306.366 -0.829 30 20 DBED CC#CCN(C)C[C@H]1CCN(C(=O)CN2CC(=O)N(C)C2=O)C1 1753358236 MPBLTGQFMYTVIX-CYBMUJFWSA-N 320.393 -0.316 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@H](C)CNC(=O)c1cc[n+]([O-])cc1 1753612656 GTMLYEZSJAEWDT-QWHCGFSZSA-N 318.377 -0.587 30 20 DBED C#CCNC(=O)CN(C)C[C@H](C)NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 1754328167 KGKSFNDPUYGLTM-DGAVXFQQSA-N 307.394 -0.260 30 20 DBED CC(C)C[C@]1(C(=O)NC[C@@]2(O)CCN(CC#N)C2)CCNC1=O 1754754884 RGVAAVYSNSLFJI-JKSUJKDBSA-N 322.409 -0.385 30 20 DBED CCc1ncoc1C(=O)NCC1(O)CN(CC#CCOC)C1 1754774620 UPKDWQZXKDILSH-UHFFFAOYSA-N 307.350 -0.337 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)[C@@H](OC)c1cnn(C)c1 1754969740 GIDBRUFJFHEPEG-KGLIPLIRSA-N 306.366 -0.442 30 20 DBED C=CCCN1CCOC[C@H]1CNC(=O)C[C@@H]1CC(=O)NC1=O 1754973682 DCJHPNBAJPECGG-VXGBXAGGSA-N 309.366 -0.568 30 20 DBED CC#CCCCC(=O)N1CCO[C@@H](CNCc2nnnn2C)C1 1755011329 VJKODSQVBKIDBD-ZDUSSCGKSA-N 320.397 -0.279 30 20 DBED C#CCNC(=O)CN[C@@H](C)[C@@H](C)NC(=O)CNC(=O)C(C)(C)C 1755269193 PPJQVHWDGKXJTR-NWDGAFQWSA-N 324.425 -0.619 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@@H](C)CNC(=O)c1cnnc(C)c1 1755297489 XTDYSBKLSBGJFP-QWHCGFSZSA-N 317.393 -0.027 30 20 DBED C=CCNC(=O)CN1CC([C@@H](C)NC(=O)C[C@@H]2CCC(=O)N2)C1 1755387678 OVFALJBCXCMTAD-YPMHNXCESA-N 322.409 -0.606 30 20 DBED C=CCCN1C[C@H]2C(CNC(=O)CNS(=O)(=O)CC)[C@@H]2C1 1755426671 YSTXMJVNIFQDAJ-STQMWFEESA-N 315.439 -0.204 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H]2C(CNC(=O)c3nc[nH]n3)[C@H]2C1 1755430032 NVBMNSVTEPCXSF-MVWJERBFSA-N 318.381 -0.597 30 20 DBED C=CCOCC(=O)N1C[C@H](NCCNS(C)(=O)=O)C[C@H]1C 1755672150 HCWTWPMOLNHMMD-VXGBXAGGSA-N 319.427 -0.683 30 20 DBED CCCC(=O)N1CCC[C@H](C(=O)N(C)C[C@@H](O)CNCC#N)C1 1755795497 HANHBYVJKPZTFF-KBPBESRZSA-N 324.425 -0.042 30 20 DBED C#CCCCC(=O)N(C)[C@H](C)CNC(=O)[C@H]1CN(C)C(=O)N1 1756054207 JAEPTEIUIOERAA-VXGBXAGGSA-N 308.382 -0.223 30 20 DBED C=C(C)CCC(=O)N[C@H](CO)CNC(=O)c1cnnn1CC 1756518191 UURYIBPYNGEASH-NSHDSACASA-N 309.370 -0.139 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@H](O)CN(C)C(=O)c1ccccn1 1756651603 NEXFNVPTLJHUDH-BLLLJJGKSA-N 321.377 -0.042 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)N(C)CC)CCO2 1783053914 ADHLCASKKHIIKR-CZUORRHYSA-N 307.394 -0.210 30 20 DBED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)NC(C)=O)C[C@@H]21 1790793619 RTPVPENQCRYGRD-SAXRGWBVSA-N 321.377 -0.876 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)C(C)(C)C)C2 1800451137 YAUXGRXSHCBGPG-XCCSTKFXSA-N 308.378 -0.384 30 20 DBED C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1c[nH]c(=O)cn1)C2 1801597789 KVDTXOJHZRLAQJ-JGPRNRPPSA-N 300.318 -0.345 30 20 DBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)F)C2)C1 1839807188 WFMMWTRHZSKYRP-HNNXBMFYSA-N 312.341 -0.176 30 20 DBED N#CC1(C(=O)N2CC3(CCCN3C(=O)Cn3nccn3)C2)CC1 1845265000 ZTXXOPMIWYAOBY-UHFFFAOYSA-N 314.349 -0.215 30 20 DBED C=C1CC(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)Cn2cnnn2)C1 1847225369 VIPULJCXZADNOP-STQMWFEESA-N 316.365 -0.159 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1CCC(N2CCNC2=O)CC1 52217079 OWSSBNXDDIGQIC-NSHDSACASA-N 323.397 -0.124 30 20 DBED C#CCN1CCN(C(=O)CN(C)CCNC(=O)C(C)C)CC1 157386162 PBUCLXNQYALNGD-UHFFFAOYSA-N 308.426 -0.532 30 20 DBED N#CCCN1CCN(S(=O)(=O)c2[nH]ncc2C(=O)O)CC1 158766864 UFYNTCBZILRRTG-UHFFFAOYSA-N 313.339 -0.672 30 20 DBED C=CCN/C(N)=N/CCS(=O)(=O)NC[C@@H]1CCCCO1 267412815 INUGRBGAEMDSAI-NSHDSACASA-N 304.416 -0.435 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(Cc2nnc(C)s2)c1=O 271568996 VIKOLRAMPINRJV-UHFFFAOYSA-N 321.362 -0.248 30 20 DBED CC#CCCCC(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)OC 275317126 SFGQXZBXTBVHKG-LLVKDONJSA-N 301.364 -0.021 30 20 DBED Cc1cc(NC(=O)CN(CC#N)S(=O)(=O)N(C)C)no1 283649794 YFOGADOBRLOANV-UHFFFAOYSA-N 301.328 -0.447 30 20 DBED O=C(NCC#CCO)c1ccc(C(=O)NCC#CCO)cc1 283717307 MWFDPMGVPGONOF-UHFFFAOYSA-N 300.314 -0.862 30 20 DBED C=C[C@@H](CO)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 290591959 MJWYAGHBZACMOE-PWSUYJOCSA-N 323.374 -0.112 30 20 DBED C/N=C(/O)NC1CN(C(=O)c2cc(N3CCOCC3)ccn2)C1 328682761 OWBTYAZONVBPBQ-UHFFFAOYSA-N 319.365 -0.124 30 20 DBED CCS(=O)(=O)N1CCN(/C(O)=N/[C@@H]2CC[S@](=O)C2)CC1 330009592 GIFQHSVVBGBEGT-DGIBIBHMSA-N 323.440 -0.611 30 20 DBED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCO[C@H](CO)C2)CC1 330650859 PPEACRDONOGEOM-LSDHHAIUSA-N 324.425 -0.628 30 20 DBED CNC(=O)[C@@H]1CN([C@H](C)C(=O)N/C(O)=N/C(C)(C)C)CCO1 330835564 UEBULJKCUJDPGL-ZJUUUORDSA-N 314.386 -0.350 30 20 DBED CNS(=O)(=O)NC1CCN(/C(O)=N/[C@@H](C)CCOC)CC1 331234214 KKLWXHVTKPUPLH-JTQLQIEISA-N 322.431 -0.156 30 20 DBED N#Cc1ncn(CC(=O)N2CCNC(=O)[C@H]2c2cccs2)n1 331534247 FCJNNJVIPZSZPR-GFCCVEGCSA-N 316.346 -0.089 30 20 DBED CCc1cnc(CNS(=O)(=O)N2CCO[C@H](C#N)C2)o1 336931896 CBFJLVJXPQCSFJ-SNVBAGLBSA-N 300.340 -0.204 30 20 DBED CCN(CCC#N)S(=O)(=O)N1C[C@@H](O)C[C@@H]1C(=O)OC 337089759 ITZXHECZOHMEJW-VHSXEESVSA-N 305.356 -0.925 30 20 DBED C[C@@H]1CN(C)CC[C@@H]1N(C)S(=O)(=O)N1CCO[C@H](C#N)C1 337104176 YHXIOWYNZVVFET-UPJWGTAASA-N 316.427 -0.272 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCCN(CC)C(C)C)C1=O 338764605 AVRLVOWCTRKXTK-UHFFFAOYSA-N 324.381 -0.190 30 20 DBED N#Cc1ccc(S(=O)(=O)N2CC[C@H](S(N)(=O)=O)C2)cc1 340348511 BWHFHAIVJBESBB-NSHDSACASA-N 315.376 -0.390 30 20 DBED N#CCN(CC#N)C(=O)[C@@H]1CC[C@@H](C(=O)N2CCOCC2)O1 342248212 DFDIMVBTSUBMIP-RYUDHWBXSA-N 306.322 -0.731 30 20 DBED C[C@@H](NC(=O)NCCn1cnc(C#N)n1)C(=O)N1CCCCC1 344533135 NZONGHYPILKLRN-LLVKDONJSA-N 319.369 -0.150 30 20 DBED CCN(CCC#N)S(=O)(=O)NCCC1(O)CCOCC1 352301288 CZHUXIUBJSHXDW-UHFFFAOYSA-N 305.400 -0.012 30 20 DBED C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CNC(=O)C2)c1 353924682 JYAHGCYLPRMTBI-NSHDSACASA-N 323.374 -0.231 30 20 DBED CS(=O)(=O)c1ccc(=NCCCc2[nH]nc(N)c2C#N)[nH]c1 361441427 ADUXYXMISRAARQ-UHFFFAOYSA-N 320.378 0.129 30 20 DBED COC[C@@](C)(C#N)NC(=O)c1nc(S(C)(=O)=O)ncc1C 362538052 PVRCKZVVXLTZNA-GFCCVEGCSA-N 312.351 -0.153 30 20 DBED N#Cc1ncn(CCNC(=O)N[C@@H]2CC(=O)N3CCCC[C@H]23)n1 376414645 PKRAHZYZSBDLEW-GHMZBOCLSA-N 317.353 -0.398 30 20 DBED C=CC[C@@H](NC(=O)NC1CCN(S(C)(=O)=O)CC1)C(=O)O 400189389 LBNWEBSJBXIBGO-SNVBAGLBSA-N 319.383 -0.261 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](CN)C(C)(C)C)C1=O 423962389 UXTQGFXNFFLCPZ-SECBINFHSA-N 310.354 -0.547 30 20 DBED N#Cc1ncn(CC(=O)NCCC(=O)NCc2ccccc2)n1 426403352 VXXOTLPFNOBJMF-UHFFFAOYSA-N 312.333 -0.028 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)CC2(OC)CCC2)CC1 491267209 SBUXEHVZSSGCBO-UHFFFAOYSA-N 307.394 -0.161 30 20 DBED C#C[C@@H](NC(=O)CN1CCN(S(C)(=O)=O)CC1)C(C)(C)C 491778782 IEVHVOMZUYBRBK-GFCCVEGCSA-N 315.439 -0.272 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(S(=O)(=O)C2CC2)CC1 528606174 CXHMNKUNCDXUPG-NSHDSACASA-N 301.412 -0.213 30 20 DBED CC#CCCNC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 542672971 GXDMVNZRCVTHTK-CQSZACIVSA-N 307.394 -0.303 30 20 DBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)NC[C@@H]1COCCO1 543753440 QPEWJDRVNBAZEV-SNVBAGLBSA-N 322.369 -0.147 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(C)[C@@H]2CCCOC2)C1=O 557457430 QEMWXESITUUKNL-SNVBAGLBSA-N 309.322 -0.399 30 20 DBED COC(=O)C[C@H]1C(=O)NCCN1C(=O)c1ncc(C#N)cc1C 558998137 PUSUNTXQVOZVNP-NSHDSACASA-N 316.317 -0.235 30 20 DBED N#Cc1ccc(OC[C@H](O)CNC[C@H](O)Cn2ccnn2)cc1 566231775 UBPBQLRHPJPFQW-UONOGXRCSA-N 317.349 -0.460 30 20 DBED CN(C)S(=O)(=O)N(C)CC(=O)N1CCC(CC#N)CC1 570851206 LQHUHLZKDCXXRM-UHFFFAOYSA-N 302.400 -0.123 30 20 DBED CCN(CCC#N)S(=O)(=O)N1C[C@@H](O)C[C@@H](C(=O)OC)C1 592120609 YYYSULRYKGLFKC-MNOVXSKESA-N 319.383 -0.677 30 20 DBED CN(C)S(=O)(=O)N1CCN(C[C@@H](O)CC(C)(C)C#N)CC1 598589710 PXAYQUWTYKKSCK-LBPRGKRZSA-N 318.443 -0.289 30 20 DBED C[C@@H]1CCN(C(=O)C(=O)NC2CCN(CC#N)CC2)C[C@H]1CO 598680471 YCJKLOAMORQQBN-OLZOCXBDSA-N 322.409 -0.433 30 20 DBED N#Cc1ccc(NC(=O)C(=O)NCc2nn[nH]n2)c(Cl)c1 610869893 ROZOXHNDMCFJRI-UHFFFAOYSA-N 305.685 -0.020 30 20 DBED C#CCCN1CCC(NC(=O)CCn2cc[nH]c(=O)c2=O)CC1 743491228 ZRCVFHRLJQHWSD-UHFFFAOYSA-N 318.377 -0.469 30 20 DBED C=CCNC(=O)COC(=O)c1cc(S(N)(=O)=O)oc1C 754151866 WFQLQLNKFJXSNN-UHFFFAOYSA-N 302.308 -0.306 30 20 DBED CN(Cn1cccc(C#N)c1=O)[C@@H]1CCN(S(C)(=O)=O)C1 793566828 JWNMRTWQQLKARG-GFCCVEGCSA-N 310.379 -0.357 30 20 DBED C=CCOC[C@H](NC(=O)CCN1CCOCC1)C(=O)OC 796457203 YOFLCSPYDVBHHP-LBPRGKRZSA-N 300.355 -0.431 30 20 DBED C[C@H](C#N)OCCN1CCN(S(=O)(=O)c2cc[nH]n2)CC1 809988855 RKLCNDKMRHROJD-LLVKDONJSA-N 313.383 -0.355 30 20 DBED C#CC[C@@H](CO)NC(=O)c1ccc(OC)c(-n2cnnn2)c1 820064868 NXAACQBHNVNZHL-NSHDSACASA-N 301.306 -0.215 30 20 DBED C=CCCn1cc(C(=O)OCCn2cc(C(N)=O)nn2)nn1 820941213 YTTAUJZESUYZKU-UHFFFAOYSA-N 305.298 -0.598 30 20 DBED N#C[C@H]1CNC[C@H]1NC(=O)CCOc1ccc(C(N)=O)cc1 843459493 FIVFMDGKRYAEFN-WCQYABFASA-N 302.334 -0.218 30 20 DBED N#Cc1cccnc1NCCNC(=O)NC[C@@H]1COCCN1 861564770 NHYRPOPXVREEKS-GFCCVEGCSA-N 304.354 -0.347 30 20 DBED C#CCN1CCC[C@H](NC(=O)NCCS(=O)(=O)N(C)C)C1 884366501 AOFKHGTYBSFESH-LBPRGKRZSA-N 316.427 -0.725 30 20 DBED Cc1cccc(=O)n1C[C@](C)(O)C(=O)NCC#CCN(C)C 913521773 MSNZPNDKXXGOTC-INIZCTEOSA-N 305.378 -0.411 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(C)(NC(=O)[C@@H](C)OCC#C)C1 913841345 ZAIBZLWUKRSWMR-OLZOCXBDSA-N 306.362 -0.220 30 20 DBED C#CCN1CCC[C@H](NC(=O)N2CCC(O)(C(N)=O)CC2)C1 924038066 PZWCRXUYLLNWAB-LBPRGKRZSA-N 308.382 -0.894 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H]1CNC(=O)[C@@H]1CCC(=O)N1C 944253254 NWYBDBZIESEJCU-UTUOFQBUSA-N 306.366 -0.126 30 20 DBED N#Cc1cc(C(=O)N2CC[C@H]3[C@H](CCN3C(=O)C(N)=O)C2)c[nH]1 945929646 YBTPNDKYMXNTBB-SKDRFNHKSA-N 315.333 -0.565 30 20 DBED CC#CCN1CC[C@H](NC(=O)CN2CC(=O)NC2=O)C[C@H]1C 947821626 XMUHHUGETKGXJT-NEPJUHHUSA-N 306.366 -0.469 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)C[C@@H]1C 947930727 UQGVLRBFHISAPG-WDEREUQCSA-N 314.349 -0.367 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1cn(C)nn1 949749987 KJBIRMLFWDTQBR-LOWVWBTDSA-N 319.365 -0.263 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]1CNC(=O)c1cc(=O)n(C)cn1 950761289 JXSRMCFVQULLCR-VHSXEESVSA-N 303.322 -0.729 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2CCN2C(=O)Cn2nccn2)cn1 951381509 IJNPGUFSZKSUSL-AWEZNQCLSA-N 324.344 -0.315 30 20 DBED N#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cnc3nccn3c2)C1 958257431 FWJKGOPLFWIWLW-CMPLNLGQSA-N 300.322 -0.725 30 20 DBED CC#CCN1C[C@@H](O)[C@@H](CNC(=O)c2ccc(=O)n(CC)n2)C1 958493364 GHAJAOALGRVHPN-GXTWGEPZSA-N 318.377 -0.691 30 20 DBED Cc1cnn(CC(=O)N(C)[C@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)c1 958674023 BCQXPONYPLMCFY-AGIUHOORSA-N 319.365 -0.619 30 20 DBED Cc1ncsc1C(=O)N[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1O 961697974 GDNJEBBBXPHMCE-QNSHHTMESA-N 308.363 -0.087 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1[C@H]2CN(Cc3nnnn3C)C[C@H]12 961828900 YUTGYOLZPXIWFT-RHYQMDGZSA-N 318.381 -0.652 30 20 DBED C#CCCN1C[C@H]2C(NC(=O)[C@H]3CCN(C)S3(=O)=O)[C@@H]2C1 962013972 XUSYMYZCUXFZRF-IJLUTSLNSA-N 311.407 -0.910 30 20 DBED O=C1NC[C@@H](C(=O)N2C[C@@H]3CC[C@H](C2)N3C(=O)C#CC2CC2)N1 968993787 XSCPRYIVBUMLFW-XQQFMLRXSA-N 316.361 -0.717 30 20 DBED C#Cc1ccc(C(=O)N2[C@H]3CC[C@H]2CN(C(=O)C(N)=O)C3)cc1 969523162 UHWXGRRYNOCHSQ-KBPBESRZSA-N 311.341 -0.031 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CNC(=O)N1 969776598 UVPOZHTUMCDGAH-MMWGEVLESA-N 305.338 -0.971 30 20 DBED C#CCCN1CCO[C@@]2(CCN(C(=O)[C@]3(C)CCNC3=O)C2)C1 972548484 JIZQHUPYQGZEHV-SJORKVTESA-N 319.405 -0.161 30 20 DBED C=C(C)CN1C[C@@H](NC(=O)CN2C(=O)CNC2=O)C(C)(C)C1 977577643 OGSQRQJUDCREEP-LLVKDONJSA-N 308.382 -0.059 30 20 DBED N#CCN1C[C@H]2C[C@H](NC(=O)C3CC(=O)NC(=O)C3)CC[C@H]2C1 980181608 FUJUMFXHVZQXHK-CYZMBNFOSA-N 318.377 -0.221 30 20 DBED C=C(Cl)CN(C)[C@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 980427342 LNAGBDXXAFXVKN-QWRGUYRKSA-N 321.830 -0.037 30 20 DBED N#Cc1ccc(C(=O)N2C[C@H]3CCN(C(=O)C(N)=O)C[C@H]3C2)[nH]1 985976166 QENSQWHIFBCQLM-ZJUUUORDSA-N 315.333 -0.708 30 20 DBED C[C@@H]1[C@H](NCC#N)CCN1C(=O)CN1C(=O)NC(=O)C1(C)C 987314344 CKQPKHFVCSYDQH-NXEZZACHSA-N 307.354 -0.581 30 20 DBED CC#CCN1CCCN(C(=O)CN2C(=O)CN(C)C2=O)CC1 989627985 NUIOCVDNNVLGRY-UHFFFAOYSA-N 306.366 -0.562 30 20 DBED C=C(C)CCN1CCCN(C(=O)c2cn(CC(N)=O)nn2)CC1 989739270 PVKXQAIFIJJNHL-UHFFFAOYSA-N 320.397 -0.123 30 20 DBED C=CCn1cc(C(=O)N2CC(NC(=O)[C@@H]3CCCO3)C2)nn1 990168788 DLHHFLDKPMNCEQ-LBPRGKRZSA-N 305.338 -0.416 30 20 DBED Cc1nonc1C(=O)N[C@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1O 991570767 KMQPDCZJZOMNTK-RYUDHWBXSA-N 318.333 -0.517 30 20 DBED C=C(C)CN1CCC[C@@H](NC(=O)CN2CCNC(=O)C2)[C@@H]1C 993700054 LAHWRFHHNOZVOQ-UONOGXRCSA-N 308.426 -0.037 30 20 DBED N#Cc1ccc(C(=O)N2CC(NC(=O)[C@@H]3CCC(=O)NC3)C2)[nH]1 995137656 INUHBZQUJZJOIJ-SECBINFHSA-N 315.333 -0.647 30 20 DBED C#CCN[C@@H]1CN(C(=O)CCN2C(=O)CCC2=O)CC1(C)C 996021360 PCGVPBNUPVPUMI-GFCCVEGCSA-N 305.378 -0.015 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)Cc2ncc[nH]2)C1 998387979 WAFGNPLOAJJVCG-NEPJUHHUSA-N 304.350 -0.130 30 20 DBED C=CCCn1cc(C(=O)N(C)C2CC(N[C@H](C)C(N)=O)C2)nn1 999539410 FHOVPIBCMSRMBP-VOMCLLRMSA-N 320.397 -0.079 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC(CNC(=O)c2cnco2)C1 1003379632 CMZPTZKFHOXFBR-ZDUSSCGKSA-N 316.361 -0.040 30 20 DBED C[C@H](NC(=O)[C@@H]1CNC(=O)N1)C1CN(C(=O)C#CC2CC2)C1 1006750672 VURCNMOSLXPHJA-CABZTGNLSA-N 304.350 -0.956 30 20 DBED CC(=O)N1CC(C(=O)N2CCN(C(=O)C#CC3CC3)CC2)C1 1011052125 BHJHNWLNAHGSTG-UHFFFAOYSA-N 303.362 -0.451 30 20 DBED C=C(C)CCN1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 1014502684 PMHPDLDZJQGDCW-NSHDSACASA-N 306.370 -0.466 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCCN(C(=O)C(N)=O)[C@H]2C)nn1 1014955389 KNBAWJARRGVNDH-VHSXEESVSA-N 320.353 -0.941 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2coc(S(N)(=O)=O)c2)C1 1014975321 GGAVRYQVEQYEPC-NSHDSACASA-N 311.363 -0.246 30 20 DBED C=CCN1CC[C@H](N2CC[C@@H](NC(=O)c3[nH]nnc3C)C2)C1=O 1015478787 FFFHLOCUOSNJOW-NEPJUHHUSA-N 318.381 -0.296 30 20 DBED CC(=O)N1CCO[C@@H](C(=O)N[C@H]2CC23CCN(CC#N)CC3)C1 1016953699 VPONQBBJCXJJJJ-KGLIPLIRSA-N 320.393 -0.272 30 20 DBED Cc1cc2[nH]c(=O)c(C(=O)N3CC[C@H](NCC#N)C3)cn2n1 1019514200 HXPDNSBZONALKD-JTQLQIEISA-N 300.322 -0.341 30 20 DBED Cn1cnc(C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2O)c1 1023398116 DJBKFRCHZCMEHA-DGCLKSJQSA-N 302.334 -0.865 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)C3(CF)CC3)C[C@H]2O)[nH]1 1023436351 SIQLLMNKZSLMJB-VXGBXAGGSA-N 320.324 -0.062 30 20 DBED N#Cc1c[nH]c(C(=O)N2C[C@H]3CC[C@H]2[C@H](NC(=O)C(N)=O)C3)c1 1025994958 DFIPMGPWACIJIS-XRNSZHNASA-N 315.333 -0.519 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN(CC(=O)N2CCCC2)C1 1030462357 SHFLAYFZJJBEHF-HNNXBMFYSA-N 318.421 -0.493 30 20 DBED N#Cc1cc(CN2CC(NC(=O)[C@H]3CNC(=O)N3)C2)ccc1F 1030878358 NUOUXEYDTLWWHJ-CYBMUJFWSA-N 317.324 -0.321 30 20 DBED N#Cc1cc(CN2CC(NC(=O)[C@@H]3CNC(=O)N3)C2)ccc1F 1030878359 NUOUXEYDTLWWHJ-ZDUSSCGKSA-N 317.324 -0.321 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCC1CN([C@@H]2CCCNC2=O)C1 1031987619 UMPDJOQHUYCIJQ-MCIONIFRSA-N 307.394 -0.096 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN([C@H](C)C(=O)N(C)C)C1 1032827199 WLRQYEUZJLGXAO-ILXRZTDVSA-N 320.437 -0.249 30 20 DBED C=CCN1CCO[C@@H](CNC(=O)[C@H]2COCCN2C(C)=O)C1 1035607851 XNXQFKMXEVYODB-UONOGXRCSA-N 311.382 -0.763 30 20 DBED C#CCCCC(=O)NC[C@]1(O)CCN(C(=O)[C@H](C)OCC#C)C1 1039575898 HYRLILTVVYVNGE-WMLDXEAASA-N 320.389 -0.092 30 20 DBED CC(=O)N1CCC(=O)NCCN(c2ccc(C#N)nn2)CC1 1039660939 SBESTVMSHOREJI-UHFFFAOYSA-N 302.338 -0.477 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)C2(N(C)C)CCC2)C1 1040114513 NELAFTJKCNCEEE-IUODEOHRSA-N 322.409 -0.290 30 20 DBED C=CCCOCC(=O)NC[C@]1(O)CCN(C(=O)c2cnn[nH]2)C1 1040162044 SNXQNYKNWNGVKJ-CQSZACIVSA-N 323.353 -0.909 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)C[C@H]2CCCCO2)C1 1042478117 PCLYYVKLRUOJJB-VXGBXAGGSA-N 309.366 -0.205 30 20 DBED C#CCCCCC(=O)NCC1(O)CN(C(=O)CCOCC#C)C1 1042664165 QAIPUAMOARFFBR-UHFFFAOYSA-N 320.389 -0.091 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)c2ccc(C#N)[nH]2)C1 1042801974 ATYHPZVANWBDNN-UHFFFAOYSA-N 314.345 -0.007 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(O)CN(C(=O)/C=C/C2CC2)C1 1042807504 VAYVWJHQQYZFSS-LFAOLKIESA-N 308.378 -0.031 30 20 DBED CCCN1CCC[C@@H]1C(=O)NCC1(O)CN(C(=O)[C@H](C)C#N)C1 1043416245 VGJHEZLVLUXZCL-CHWSQXEVSA-N 322.409 -0.290 30 20 DBED Cc1nnccc1C(=O)NCC1(O)CN(C(=O)C#CC(C)C)C1 1044148887 KTEQEAYUPBXDIP-UHFFFAOYSA-N 316.361 -0.252 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)c2csc(O)n2)C1 1045050961 OMFNWYMWEHSRPE-ZETCQYMHSA-N 310.335 -0.689 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)c2ncccc2F)C1 1045265856 SPWHTPJDPVSAKH-VIFPVBQESA-N 306.297 -0.317 30 20 DBED C=C(Cl)CN1CC[C@@H](N2CCN(C(=O)C(N)=O)CC2)C1 1046058741 RZACVEIXPXESRF-LLVKDONJSA-N 300.790 -0.557 30 20 DBED CN(C(=O)c1cc2n(n1)CCCO2)[C@H]1CN(CC#N)C[C@@H]1O 1047453357 UAYDMCFPSYOQNX-RYUDHWBXSA-N 305.338 -0.694 30 20 DBED N#CCN1[C@H]2CC[C@@H]1C[C@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)C2 1048563611 ZFVUBPFSGWEVEV-ZUWCUPBKSA-N 320.393 -0.098 30 20 DBED C=C[C@](C)(O)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[C@@H]2C)C1 1049216227 HSTLBKZMQOZGMO-YTORKDELSA-N 310.394 0.000 30 20 DBED Cc1cncn1CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)C#N)C1 1049401529 HKYZRNYSWCRUHC-DRZSPHRISA-N 319.365 -0.619 30 20 DBED Cc1nc2n(n1)C[C@@H](C(=O)NC[C@H]1COCCN1CC#N)CC2 1051044735 QDDWKVSNQVNLNJ-STQMWFEESA-N 318.381 -0.511 30 20 DBED N#Cc1cnc(N2CC[C@@H](NC(=O)c3ccon3)[C@@H](O)C2)cn1 1051632760 UPHQRZWCABYZTL-PWSUYJOCSA-N 314.305 -0.294 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)[C@H]3CN4CCC3CC4)CO2)C1 1053802463 BDPSKXPKQHWYOO-KGLIPLIRSA-N 304.394 -0.189 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)C[C@H]3CCN(C)C3=O)CO2)C1 1053841917 WGAKUJXEOUVFEK-ZIAGYGMSSA-N 319.405 -0.162 30 20 DBED C=CCN1CC2(C[C@@H](NC(=O)[C@@H]3CCc4nncn4C3)CO2)C1 1054016814 KYTADLLWULRERF-CHWSQXEVSA-N 317.393 -0.014 30 20 DBED C=CCO[C@@H](C)C(=O)N1C[C@@H]2CN(C(=O)CC(N)=O)C[C@@H]2C1 1055264199 FZTMYHXYYJVLJU-SDDRHHMPSA-N 309.366 -0.630 30 20 DBED Cc1cc(C#N)nc(N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)C(N)=O)n1 1055437844 PAKTZBHRRCFCIF-MXWKQRLJSA-N 300.322 -0.632 30 20 DBED C[C@H](C#N)C(=O)NC1CCN(CCNC(=O)CCN(C)C)CC1 1055633357 LGXHVUTTWJDPQV-CYBMUJFWSA-N 323.441 -0.205 30 20 DBED COC[C@@H](C)C(=O)N(CCO)CCNC(=O)CSCC#N 1057188845 DDLWOZFEQSKPHY-LLVKDONJSA-N 317.411 -0.537 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)CCn1ccnn1 1057433443 PUBSFUYSNQSYGC-UHFFFAOYSA-N 309.370 -0.429 30 20 DBED C=C[C@@](C)(O)CC(=O)N(CCO)CCNC(=O)c1ccncn1 1057451600 OHVRXKFFDVCPRM-OAHLLOKOSA-N 322.365 -0.646 30 20 DBED Cc1nonc1C(=O)NCCN(CCO)C(=O)C#CC(C)(C)C 1057540375 QRFARUHCPXVEJY-UHFFFAOYSA-N 322.365 -0.022 30 20 DBED N#Cc1cnc(N2CCC(NC(=O)[C@@H]3CCC(=O)N3)CC2)cn1 1057886241 HTAMUZGZHUBOFB-LBPRGKRZSA-N 314.349 -0.288 30 20 DBED C#CCCCCC(=O)NCCN(CCO)C(=O)c1cnn[nH]1 1058058265 ZYBDNRZQUMVBAL-UHFFFAOYSA-N 307.354 -0.451 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)CCc1ncccn1 1058506639 HBRRKGDHOVHILU-GFCCVEGCSA-N 319.365 -0.494 30 20 DBED C=CCCCC(=O)N(CCO)CCNC(=O)[C@H]1C[C@H]1C(N)=O 1058623574 XWTBOIKBQRSPIP-NEPJUHHUSA-N 311.382 -0.599 30 20 DBED N#Cc1nccnc1N1CCC2(CC1)C[C@H]2NC(=O)C(N)=O 1058645391 FZHZWKMWJIAEHD-SNVBAGLBSA-N 300.322 -0.691 30 20 DBED CCCn1cc(C(=O)NCCN(CCO)C(=O)[C@H](C)C#N)nn1 1058655435 YQOPEQNQHZIDHT-LLVKDONJSA-N 322.369 -0.602 30 20 DBED C[C@@]1(C(=O)N2CC[C@H](Nc3nccnc3C#N)C2)CCNC1=O 1059063329 WKLUBHWDIUGYBU-ZUZCIYMTSA-N 314.349 -0.113 30 20 DBED N#Cc1cncc(N[C@H]2C[C@@H](NC(=O)c3c[nH]c(=O)cn3)C2)n1 1059799090 WFYLVCBJZBBSQY-DTORHVGOSA-N 311.305 -0.196 30 20 DBED N#Cc1cnc(N2CCC[C@H]2CNC(=O)[C@H]2CCNC2=O)cn1 1061422348 GPZQKYGRXHVVSX-RYUDHWBXSA-N 314.349 -0.431 30 20 DBED C#CCCCC(=O)N1CCOC[C@H]1CNC(=O)CC(=O)NCC 1061518409 MLWNHHVWHBCORU-CYBMUJFWSA-N 323.393 -0.340 30 20 DBED Cc1nnc(CC(=O)NC[C@H]2COCCN2C(=O)[C@H](C)C#N)o1 1061554540 QOQUNPNRJKLRQO-KOLCDFICSA-N 321.337 -0.576 30 20 DBED CC(C)[C@@H](O)C(=O)N1CCOC[C@H]1CNC(=O)C#CC1CC1 1061570300 YBCOKXDYQMGLRV-UKRRQHHQSA-N 308.378 -0.240 30 20 DBED C=CCO[C@H](C)C(=O)N1CCOC[C@H]1CNC(=O)c1nc[nH]n1 1061766490 LBEOCYCCCULJGE-GHMZBOCLSA-N 323.353 -0.647 30 20 DBED N#Cc1cncc(N2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CCC(=O)N2)n1 1062458873 GUJFMJYYXKGSCS-SDDRHHMPSA-N 312.333 -0.584 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(NC(=O)c2cnon2)CCC1 1063044060 ZAYAZQWCXKTTEX-SNVBAGLBSA-N 306.322 -0.123 30 20 DBED C[C@H]1CCCN(C(=O)C(N)=O)[C@@H]1CN=c1cc[nH]cc1C#N 1063955265 ARKBKFAQVCCTHK-GXFFZTMASA-N 301.350 -0.101 30 20 DBED C=C[C@](C)(O)CC(=O)NC1(CNC(=O)Cn2cncn2)CCC1 1064595782 LTWROXHZJNWBRJ-AWEZNQCLSA-N 321.381 -0.240 30 20 DBED C=CCCC(=O)N1CCO[C@@H](CNC(=O)Cc2n[nH]c(C)n2)C1 1064955986 OTPTVYPVALZQLK-LBPRGKRZSA-N 321.381 -0.035 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)[C@H](C)COC)CCO1 1064968376 VMAHJPWHCKXQGM-CHWSQXEVSA-N 314.382 -0.185 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCO[C@H](CNC(=O)c2nc[nH]n2)C1 1065096623 ILSLOGMRZYHVQS-YGRLFVJLSA-N 323.353 -0.911 30 20 DBED N#Cc1ccc(N2CCOC[C@H]2CNC(=O)c2cnco2)nn1 1066510572 YFGVKUCNMFCEPK-LLVKDONJSA-N 314.305 -0.029 30 20 DBED C[C@H]1CN(C(=O)Cn2cnnn2)C[C@H]1Nc1cncc(C#N)n1 1067042003 HUBBYIHBPQXUFP-GXSJLCMTSA-N 313.325 -0.706 30 20 DBED C=CCCC(=O)N1CC2(CC[C@@H](CNC(=O)CC(=O)NC)O2)C1 1068564178 OJSSZJQFFHLSHW-LBPRGKRZSA-N 323.393 -0.035 30 20 DBED C#CCOCCC(=O)N1CC2(C[C@H](NC(=O)CCOC)CO2)C1 1068647964 HMCPOPATLUTVLY-ZDUSSCGKSA-N 324.377 -0.451 30 20 DBED CO[C@H](C)C(=O)N[C@@H]1COC2(C1)CN(C(=O)C#CC1CC1)C2 1068732041 HLGCBHPSUBLYAH-YPMHNXCESA-N 306.362 -0.079 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1COC2(C1)CN(C(=O)Cc1cc[nH]n1)C2 1069001876 AGZXOWOKXZZWQV-ZYHUDNBSSA-N 317.349 -0.402 30 20 DBED C#CCN1CCn2ncc(CNC(=O)[C@H]3CCC(=O)N3)c2C1 1069855694 NMQWNHDZGCAZJZ-GFCCVEGCSA-N 301.350 -0.773 30 20 DBED C#CCN1CCn2ncc(CNC(=O)[C@H]3COCCN3C)c2C1 1069858097 CKXSLZCVGTWHEE-OAHLLOKOSA-N 317.393 -0.721 30 20 DBED N#CCN[C@@H]1CN(C(=O)c2cccc(O)n2)C[C@@H]1n1ccnn1 1070167375 RSLOSODUZJMTPH-NEPJUHHUSA-N 313.321 -0.442 30 20 DBED C[C@@H]1CN(C(=O)CCn2cncn2)C[C@]2(CCN(CC#N)C2)O1 1071136827 QOVLMRLVBAXYMQ-UKRRQHHQSA-N 318.381 -0.116 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(C(=O)CN(C)C(C)=O)C[C@H]1C 1071662726 XLHUCCJQIHNFGP-TZMCWYRMSA-N 323.393 -0.532 30 20 DBED C=CCCC(=O)N[C@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@H]1C 1072166027 WJJSXWPNPGVCKL-PWSUYJOCSA-N 314.407 -0.040 30 20 DBED COC(=O)NCC(=O)NC1(C)CCN(C(=O)[C@H](C)C#N)CC1 1073229116 QGIJHLSAANSKFF-SNVBAGLBSA-N 310.354 -0.001 30 20 DBED COc1coc(C(=O)NC[C@H]2CN(CC#N)CCCO2)cc1=O 1073696011 AIIGPWDTRZJUPM-NSHDSACASA-N 321.333 -0.007 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CCN(C(=O)CSCC#N)CC1 1074486445 YKNSIAVPBZONCJ-NSHDSACASA-N 324.406 -0.127 30 20 DBED COC(=O)NCC(=O)NCC[C@H](C)NC(=O)c1c[nH]c(C#N)c1 1075762698 QFRGCTXERHVKHV-VIFPVBQESA-N 321.337 -0.133 30 20 DBED CC#CCN1C[C@@H]2CCN(C(=O)c3nnc(O)nc3O)[C@@H]2C1 1075993459 WFSGSJTWEFDIJV-VHSXEESVSA-N 303.322 -0.548 30 20 DBED C#CCN1CCC(C(=O)N[C@@H](C)CCNC(=O)CC(N)=O)CC1 1075998843 LAUWTLILUKDZAE-LBPRGKRZSA-N 322.409 -0.782 30 20 DBED C[C@@H](CCNC(=O)c1nccnc1C(N)=O)NC(=O)[C@@H](C)C#N 1076453529 LYCRRQGYANZQKR-IUCAKERBSA-N 318.337 -0.640 30 20 DBED C=CCOCC(=O)N[C@@H](C)CCNC(=O)c1c[nH]c(C(N)=O)c1 1076603545 LVFPRSMEJVRDQX-JTQLQIEISA-N 322.365 -0.059 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2cn(CC(F)F)nc2C)C1 1077188775 VYJJZWPZDMFHJZ-VXGBXAGGSA-N 312.320 -0.135 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)c2c(OC)ccnc2O)C1 1078014170 MRTGMXYSMLBCDT-GHMZBOCLSA-N 305.334 -0.406 30 20 DBED C[C@@H](CCNC(=O)[C@@H](C)C#N)NC(=O)C(=O)NCC(F)(F)F 1078136190 GTSACWZKZKSZPR-YUMQZZPRSA-N 322.287 -0.164 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)c2cc(N(C)C)ccn2)C1 1078261736 FHMIRZCQXHMLRC-HUUCEWRRSA-N 302.378 -0.054 30 20 DBED CCN(C(=O)C#CC1CC1)C1CN(C(=O)[C@H]2CCC(=O)NC2)C1 1079742990 TWALWZXKWCGHFV-ZDUSSCGKSA-N 317.389 -0.015 30 20 DBED C#CCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)CNC(=O)NC)C1 1079778388 YDXHSEVRXTXQFN-NSHDSACASA-N 324.381 -0.987 30 20 DBED CCN(C(=O)CC(=O)N(C)C)C1CN(C(=O)C#CC2CC2)C1 1079799185 ZDEYBWBBLDJEEQ-UHFFFAOYSA-N 305.378 -0.063 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)Cc2ccon2)C[C@H]1O 1081346860 NJEOXJZUZYPSFB-WCQYABFASA-N 323.349 -0.645 30 20 DBED C=CCCOCC(=O)NC[C@H]1CN(C(=O)C(F)F)C[C@@H]1O 1081570234 ZRPHUUSGYQQCMJ-UWVGGRQHSA-N 306.309 -0.220 30 20 DBED C#CCCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2cncn2C)C1 1081582817 MNMAKNDCEWAAFJ-TZMCWYRMSA-N 318.377 -0.227 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)[C@H](C)n2nnnc2C(C)(C)C)C1 1083513656 SKAZAFJHVXEXJU-TUAOUCFPSA-N 322.413 -0.121 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2ccc3oc(O)nc3c2)C1 1083543809 QSRLYLKVFFXXDQ-MNOVXSKESA-N 302.290 -0.168 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)Cc2ncccc2OC)C1 1083728626 INGPMGVOTLMERB-KGLIPLIRSA-N 303.362 -0.183 30 20 DBED C=CCOc1cccnc1C(=O)N[C@@H]1CN(C[C@@H](C)O)C[C@@H]1O 1083936466 PGCICSVNUWRLGE-UPJWGTAASA-N 321.377 -0.198 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCCC[C@H]2N[C@@H](C)C(N)=O)nn1 1085356733 LZQHPQQIVHIOQI-QJPTWQEYSA-N 320.397 -0.032 30 20 DBED C#CCN1CC[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)[C@H]1CC 1087593005 JVESBPNFULMJLL-QWHCGFSZSA-N 318.377 -0.851 30 20 DBED CC#CCN1CC[C@@H]2CN(C(=O)Cn3cnnc3O)C[C@@H]2C1 1087941884 ZIRRWIZMXYTADR-OLZOCXBDSA-N 303.366 -0.213 30 20 DBED CCN(c1cncc(C#N)n1)[C@H](C)CNC(=O)[C@H]1C[C@H]1C(N)=O 1089754351 ZDLPBQXHLJYPGB-JLLWLGSASA-N 316.365 -0.199 30 20 DBED COCc1nn(C)cc1C(=O)N[C@@H]1CCN(CC#N)C[C@@H]1O 1090370829 FUWZCYLEKRQBGN-YPMHNXCESA-N 307.354 -0.745 30 20 DBED C=CCN1CC[C@H](NC(=O)c2ccn(CCOC)n2)[C@H](O)C1 1090423990 VMEWSUIKZZBRDA-GXTWGEPZSA-N 308.382 -0.120 30 20 DBED COc1c[nH]c(C(=O)N[C@@H]2CCN(CC#N)C[C@H]2O)cc1=O 1090432658 MBAXVKHUHMBDJR-BXKDBHETSA-N 306.322 -0.928 30 20 DBED CCOCC(=O)N[C@@H]1CCN(c2nc(C)cc(C#N)n2)C[C@H]1O 1092130428 VZVNWUAIYQLDQI-CHWSQXEVSA-N 319.365 -0.251 30 20 DBED C[C@H](CC(N)=O)C(=O)N1CCN(c2cncc(C#N)n2)CC1 1093194262 FASNZNJDPSLTCC-SNVBAGLBSA-N 302.338 -0.492 30 20 DBED C[C@H](NC(N)=O)C(=O)NC1[C@H]2CN(c3ccc(C#N)nc3)C[C@H]12 1093255813 DLPAZRPQYYCHLT-UWJYBYFXSA-N 314.349 -0.439 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1[C@@H]2CN(c3ccc(C#N)nc3)C[C@@H]21 1093265603 IZWJOMAMODWWFL-HALDLXJZSA-N 323.356 -0.356 30 20 DBED C#CCO[C@H](C)C(=O)NC1[C@@H]2CN(c3nccnc3C#N)C[C@@H]12 1093310122 FKDUVWOPHVKSQX-IJLUTSLNSA-N 311.345 -0.063 30 20 DBED CC(=O)N1CCO[C@H](C(=O)NCCNc2ccc(C#N)cn2)C1 1093798830 CYIKKMZYCVKDPH-ZDUSSCGKSA-N 317.349 -0.271 30 20 DBED N#Cc1nccnc1NCCNC(=O)C1CCS(=O)(=O)CC1 1093866364 CNRGZGGOLGJQKT-UHFFFAOYSA-N 323.378 -0.299 30 20 DBED N#Cc1ccc(NCCNC(=O)CNC(=O)N2CCCC2)nn1 1093893079 NFGVEZLBPBMWKB-UHFFFAOYSA-N 317.353 -0.318 30 20 DBED C[C@]1(C(=O)NCCN=c2cc[nH]c(C#N)n2)CCC(=O)NC1 1094059808 XZIOQXMDVRRWSY-AWEZNQCLSA-N 302.338 -0.785 30 20 DBED N#Cc1cncc(NCCCNC(=O)CCn2ccnn2)n1 1094408846 AMXGLIRHAXVJEC-UHFFFAOYSA-N 300.326 -0.052 30 20 DBED CCn1nnc(C)c1C(=O)NCCCN=c1cc[nH]c(C#N)n1 1094617601 MZDNDZFEYXSYIC-UHFFFAOYSA-N 314.353 -0.078 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)C3CN(C(C)=O)C3)CC2=O)C1 1094731165 LKZMEPMHPCZDQH-ZDUSSCGKSA-N 320.393 -0.948 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)c3nccc(C)n3)CC2=O)C1 1094731535 NRKWYTAKABBHQQ-GFCCVEGCSA-N 313.361 -0.567 30 20 DBED C[C@H](NC(N)=O)C(=O)N1CC[C@@H](N(C)c2ccnc(C#N)n2)C1 1095113655 UCKDXQYAPVBBLD-VHSXEESVSA-N 317.353 -0.558 30 20 DBED COC(=O)NCC(=O)N1CCC[C@@H](N=c2cc[nH]c(C#N)n2)C1 1095283247 MTQZLCSWJSKGKN-SNVBAGLBSA-N 318.337 -0.471 30 20 DBED CN(CCCNC(=O)CCn1cnnn1)c1ncccc1C#N 1095619072 HOJOXWYIRQTVHG-UHFFFAOYSA-N 314.353 -0.027 30 20 DBED CC(=O)NCC(=O)N[C@H]1CCN(c2nc(C)cc(C#N)n2)C1 1096312482 WRJBGSIRPJFBLJ-NSHDSACASA-N 302.338 -0.512 30 20 DBED CCS(=O)(=O)CC(=O)N[C@H]1CCN(c2ccnc(C#N)n2)C1 1096390233 UUHZUGAGLVITER-JTQLQIEISA-N 323.378 -0.522 30 20 DBED N#Cc1ccc(N[C@H](CNC(=O)[C@H]2C[C@H]2C(N)=O)C2CC2)nn1 1096808940 HWHHLKTWAOKRPE-GRYCIOLGSA-N 314.349 -0.224 30 20 DBED C[C@H](CNC(=O)[C@@H]1CCC(=O)N1C)Nc1ccc(C#N)nn1 1098199975 LOBUQEZWMMMNQY-KOLCDFICSA-N 302.338 -0.114 30 20 DBED O=C(C#CC1CC1)N1CC[C@H](n2cc(CNCCO)nn2)C1 1098673007 LMAKVLLXHHOIPS-AWEZNQCLSA-N 303.366 -0.453 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CN(CC(N)=O)CC2(CCOCC2)C1 1099574428 FLJWNYIJIZRJAQ-VXGBXAGGSA-N 308.382 -0.381 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)CC(C)(C)C)[C@@H](O)C1 1099671102 BZUIWACMWLJMRX-OLZOCXBDSA-N 309.410 -0.277 30 20 DBED C#CCN1CC[C@@H](NC(=O)CCOC2CCOCC2)[C@H](O)C1 1100072434 VOBVKVYZFSYULQ-HUUCEWRRSA-N 310.394 -0.243 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)CCc2cn(C)nn2)[C@@H](O)C1 1100146993 ASNCXNMMMCBBQK-KGLIPLIRSA-N 307.398 -0.125 30 20 DBED CCn1nncc1C(=O)NCC1CC(NCC(=O)NCC#N)C1 1100301676 XYDGQAYDFWNSDU-UHFFFAOYSA-N 319.369 -0.964 30 20 DBED C#CCCNC1CC(CNC(=O)CN2CCN(C)C(=O)C2)C1 1100463361 AYNOWGPSXWLWQS-UHFFFAOYSA-N 306.410 -0.732 30 20 DBED CCNC(=O)CC(=O)NC[C@H]1CCCN1c1ccnc(C#N)n1 1100831580 BTJQCQJVLAUCFL-LLVKDONJSA-N 316.365 -0.041 30 20 DBED N#Cc1cncc(N2CCC[C@@H]2CNC(=O)Cc2nc[nH]n2)n1 1100861108 SYVMUYXDNIIIMX-LLVKDONJSA-N 312.337 -0.206 30 20 DBED CCc1nc(C#N)cc(NCCN(C)C(=O)[C@@H]2CCNC2=O)n1 1101902701 BKRAZNLESAJQOV-LLVKDONJSA-N 316.365 -0.083 30 20 DBED CC[C@H](CNC(=O)CS(C)(=O)=O)Nc1ccc(C#N)nn1 1102997540 MYUAAJJWPVMZSB-SECBINFHSA-N 311.367 -0.300 30 20 DBED CNC(=O)CC(=O)N1CCC[C@@H]1CN=c1cc[nH]cc1C#N 1103804296 FSDSUHKJFDPZEX-GFCCVEGCSA-N 301.350 -0.086 30 20 DBED C[C@@H](CNc1cncc(C#N)n1)N(C)C(=O)[C@@H]1CN(C)CCO1 1104539249 XAPMJZFCBORTDG-AAEUAGOBSA-N 318.381 -0.062 30 20 DBED C#CCCNCc1cn(C2CN(C(=O)c3csnn3)C2)nn1 1105294985 SFRKLEMWGCVMIH-UHFFFAOYSA-N 317.378 -0.060 30 20 DBED C#CCCNCc1cn(C2CN(C(=O)c3cnon3)C2)nn1 1105345445 AMHNKZAHMOMZPC-UHFFFAOYSA-N 301.310 -0.529 30 20 DBED CCNC(=O)CC(=O)N(C)CCN(C)c1nccnc1C#N 1105369331 XWZFMIBEHVBOPP-UHFFFAOYSA-N 304.354 -0.231 30 20 DBED Cc1nccn1CC(=O)N1CC(n2cc(CNCC#N)nn2)C1 1105372748 VXUHMCPBCQSPED-UHFFFAOYSA-N 314.353 -0.520 30 20 DBED Cc1cc(=NC[C@H](O)CNC(=O)c2cc(C)[nH]n2)c(C#N)c[nH]1 1105728582 XTQOLEVAEMKDGO-LBPRGKRZSA-N 314.349 -0.082 30 20 DBED C[C@H](OCC1CC1)C(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1 1105732401 PCTWNZHQGOPDEM-CMPLNLGQSA-N 319.365 -0.526 30 20 DBED N#Cc1cnc(NC[C@@H](O)CNC(=O)[C@@H]2COCCO2)c(F)c1 1105780454 RWJRCTOLECEBGC-PWSUYJOCSA-N 324.312 -0.603 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H](O)CNC(=O)Cc1cncnc1 1105805699 HGSMKSQROXFPPV-ZDUSSCGKSA-N 312.333 -0.703 30 20 DBED CC(C)C#CC(=O)NC[C@H](O)CNc1nccn2nnnc12 1105811454 BDQYLRPIJIPXMG-JTQLQIEISA-N 303.326 -0.932 30 20 DBED N#Cc1cncc(NC[C@@H](O)CNC(=O)C[C@H]2COC(=O)C2)n1 1105820240 UTQNQYREUJCFIR-MWLCHTKSSA-N 319.321 -0.810 30 20 DBED Cc1nc(NC[C@H](O)CNC(=O)[C@@H]2COC(=O)N2)ccc1C#N 1105836122 ZAQNXIWDCVSLRE-QWRGUYRKSA-N 319.321 -0.741 30 20 DBED CC(=O)NC(C)(C)C(=O)NC[C@H](O)CNc1ccc(C#N)cn1 1105897245 AXXDPYODQQXTRW-GFCCVEGCSA-N 319.365 -0.243 30 20 DBED Cc1cc(=NC[C@H](O)CNC(=O)[C@]2(C)CCOC2)c(C#N)c[nH]1 1105939039 JEVWNJGJUDBFDG-XJKSGUPXSA-N 318.377 -0.001 30 20 DBED COC[C@@H](C)CC(=O)NC[C@@H](O)CNc1ccc(C#N)nn1 1105940783 JMOCBFDYYOCAKZ-JQWIXIFHSA-N 307.354 -0.090 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)COCCOC)C[C@H]1C 1105952882 ADKARAHUUHCGFU-HUUCEWRRSA-N 312.410 -0.017 30 20 DBED C[C@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)CNC(=O)C1CC1 1106208924 PSSIAZWCCUNDFH-SNVBAGLBSA-N 316.365 -0.397 30 20 DBED CN1CCO[C@@H](C(=O)NC/C=C\CN=c2cc[nH]c(C#N)n2)C1 1107093074 BFIZEAPRZBOPEY-ZZKXABKFSA-N 316.365 -0.815 30 20 DBED C=C[C@@](C)(O)CC(=O)NC/C=C\CNc1nccn2nnnc12 1107148707 POFKFECBULRWGQ-ZRUQZJFASA-N 317.353 -0.069 30 20 DBED Cc1nsc(NC[C@@H](C)NC(=O)Cn2cnnn2)c1C#N 1107635780 PKLGRWBWTHZQIN-SSDOTTSWSA-N 306.355 -0.074 30 20 DBED C#Cc1ccc(C(=O)NC[C@]2(C)CN(CC(N)=O)CCO2)cc1 1108113320 JLJIUXYBBAKQJA-QGZVFWFLSA-N 315.373 -0.026 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)[C@@H]2CCCCN2C(N)=O)C1 1108334522 MJMMVIXSIZGDQA-XJKSGUPXSA-N 322.409 -0.240 30 20 DBED C=CCN1CCO[C@](C)(CNC(=O)CC[C@H]2NC(=O)NC2=O)C1 1108385981 VFRHUSHIQJLFSO-IAQYHMDHSA-N 324.381 -0.632 30 20 DBED C=CCCN1CC(N2C[C@H](NC(=O)CNC(C)=O)CC2=O)C1 1108499379 ZYCZUDWWRNNEAX-GFCCVEGCSA-N 308.382 -0.900 30 20 DBED C=CCOCC(=O)N[C@@H](C)CN(C)c1ncnc2c1nnn2C 1108867289 NREGIZJPQBOSAE-JTQLQIEISA-N 319.369 -0.098 30 20 DBED CC(=O)NCC(=O)NCC1(Nc2nc(C)cc(C#N)n2)CC1 1110046828 ZPLWWHHEGZDANO-UHFFFAOYSA-N 302.338 -0.147 30 20 DBED C[C@@H](CC(N)=O)C(=O)NCC1(Nc2ccnc(C#N)n2)CC1 1110298403 QWQSEJHUBYPKNM-VIFPVBQESA-N 302.338 -0.080 30 20 DBED Cn1nnnc1CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CSCC#N 1110305319 PHUHLMCDXSOOIQ-MXWKQRLJSA-N 321.410 -0.312 30 20 DBED Cc1c[nH]c(C(=O)N(CCO)CCNc2cnc(C#N)cn2)n1 1111575295 UEQSLOSRLKJTCR-UHFFFAOYSA-N 315.337 -0.074 30 20 DBED N#Cc1ccc(NC2(CNC(=O)[C@@H]3COC(=O)N3)CCC2)nn1 1111803644 KSYYIBIWAJOEKX-JTQLQIEISA-N 316.321 -0.093 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)c2ccc(F)cn2)CC1 1112780880 ZJNYMSYNFBHCFT-UHFFFAOYSA-N 305.313 -0.382 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCN(Cc2ncnn2CC)CC1 1112845199 YEPLWVWJKXLHJP-ZDUSSCGKSA-N 305.382 -0.020 30 20 DBED C[C@H](CNC(=O)c1ncn(C)n1)N(C)c1ccc(C#N)nn1 1113583234 ZTQRXZLKZPSAEY-SECBINFHSA-N 300.326 -0.269 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)C[C@@H]3COC(=O)C3)[C@H]2C1 1114139566 QEJRISZKZDAPEV-PVTKRXDGSA-N 321.377 -0.712 30 20 DBED CN(C)[C@H](C(=O)NC1[C@H]2CN(CC(=O)NCC#N)C[C@H]12)C1CC1 1114409070 GACBARPYRMGEIK-HUBLWGQQSA-N 319.409 -0.987 30 20 DBED CC(F)(F)CC(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1114782596 DMHNQIISHAFQIJ-GDGBQDQQSA-N 300.309 -0.282 30 20 DBED CCOCC(=O)NCCOCCN(C)c1ccnc(C#N)n1 1115175144 JDWVUSKIHIZDQK-UHFFFAOYSA-N 307.354 -0.046 30 20 DBED C[C@@H](C(=O)NC1(C#N)CCC1)N1CCC(OCC(N)=O)CC1 1116723872 MWIHVNASDUFQMV-NSHDSACASA-N 308.382 -0.096 30 20 DBED C=CCN(CC=C)C(=O)C(=O)N[C@@H]1CCCS(=O)(=O)C1 1117364892 GSJXQHDLCFERPD-LLVKDONJSA-N 300.380 -0.120 30 20 DBED COCCOCC(=O)NC[C@@H](CO)Nc1ccc(C#N)cn1 1121214073 WGJUCWVHOHXPDD-LBPRGKRZSA-N 308.338 -0.495 30 20 DBED Cc1cncc(C(=O)NC[C@@H](CO)N=c2cc[nH]c(C#N)n2)c1 1121242934 SRZSDIMKIKJLCK-LBPRGKRZSA-N 312.333 -0.324 30 20 DBED Cc1cc(=N[C@H](CO)CNC(=O)c2cnnn2C)c(C#N)c[nH]1 1121387999 ZALNLAKUDDJZBW-NSHDSACASA-N 315.337 -0.985 30 20 DBED Cn1cc(C(=O)NC[C@@H](CO)Nc2ncccc2C#N)nn1 1121432368 MABZSGPCJCZSSL-JTQLQIEISA-N 301.310 -0.715 30 20 DBED Cn1ccc(CC(=O)NC[C@@H](CO)Nc2cnc(C#N)cn2)n1 1121481720 REXGQVCSADXOFM-LBPRGKRZSA-N 315.337 -0.787 30 20 DBED C=CCn1c(CS(C)(=O)=O)nnc1N1CCN(C)C(=O)C1 1121704833 MLPAAHOCJGMURQ-UHFFFAOYSA-N 313.383 -0.713 30 20 DBED Cc1cc(=N[C@@H](CO)CNC(=O)[C@@]2(C)CCOC2)c(C#N)c[nH]1 1121914324 MAKFLLAXWOEBLR-CJNGLKHVSA-N 318.377 -0.001 30 20 DBED CN(C[C@@H](O)CNc1nccnc1C#N)C(=O)[C@@H]1CCCN1C 1124208870 YUSJXLFWSUHVJX-AAEUAGOBSA-N 318.381 -0.326 30 20 DBED CS(=O)(=O)CC(=O)NCCNCc1cc(F)ccc1C#N 1124356326 PBTUYVKIIASDQR-UHFFFAOYSA-N 313.354 -0.052 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)Cc1ccc[nH]1 1124365300 YLXAZPAXLSCLMI-LBPRGKRZSA-N 314.349 -0.428 30 20 DBED CNC(=O)NC(=O)[C@H](C)NCCNC(=O)c1c[nH]c(C#N)c1 1125994940 QAEHEPGDVBLAKM-QMMMGPOBSA-N 306.326 -0.950 30 20 DBED C=CCNC(=O)CNCCNC(=O)Cc1cnn2c1CCCC2 1129897519 IFAONHMOLWPQOE-UHFFFAOYSA-N 319.409 -0.230 30 20 DBED C=CCN[C@@H]1CN(C(=O)[C@H](CC)NC(C)=O)C[C@@H]1n1ccnn1 1130020633 PEDFQQDUACSAKY-MJBXVCDLSA-N 320.397 -0.280 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)C(C)(C)n1cnc(C)c1 1130167613 YJMCKVQGZYPQDS-CYBMUJFWSA-N 319.409 -0.230 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)c2ccn(C)c(=O)c2)C1=O 1130379348 XJUGZPJEPUYSLS-ZDUSSCGKSA-N 318.377 -0.508 30 20 DBED COCC#CCN1CC[C@@]2(C1)CN(C(=O)CC(N)=O)C[C@@H](C)O2 1131641708 HVPREKRKSNXMQZ-CZUORRHYSA-N 323.393 -0.797 30 20 DBED C=CCOCCN1CC[C@@]2(C1)CN(C(=O)C(N)=O)C[C@@H](C)O2 1131676440 AGMWPXOKZXVKGV-IUODEOHRSA-N 311.382 -0.634 30 20 DBED C[C@@H]1CC[C@@H](NC(=O)CCCN(C)C)CN1CC(=O)NCC#N 1132264715 ASTGXRRSIIFDGR-ZIAGYGMSSA-N 323.441 -0.063 30 20 DBED Cc1nc[nH]c1C(=O)N[C@H]1CC[C@@H](C)N(CC(=O)NCC#N)C1 1132547259 ZCEHYRUJQQVUKD-PWSUYJOCSA-N 318.381 -0.059 30 20 DBED COCC#CCNC[C@H]1CN(C(=O)Cn2ncnn2)CC[C@H]1C 1132823654 JZOBJJLYYKINRV-KGLIPLIRSA-N 320.397 -0.603 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)CCc1cncs1 1133906024 NMQZLNBOFMOAJQ-LLVKDONJSA-N 308.407 -0.081 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1ccc2c(c1)COC2 1135211995 GKPUXZJCGFDCQS-UHFFFAOYSA-N 302.334 -0.324 30 20 DBED N#CCNC(=O)CN1CCC2(C1)CN(C(=O)c1cnco1)C2 1147997511 PFXKLHCRJGTECR-UHFFFAOYSA-N 303.322 -0.538 30 20 DBED C=C[C@](C)(O)CC(=O)NCCCNC[C@H]1CCS(=O)(=O)C1 1157194709 INRSRLIAPHHFMJ-OCCSQVGLSA-N 318.439 -0.156 30 20 DBED C#CCN1CC=C(CCNC(=O)CN(C)C(=O)COC)CC1 1160273746 NIYFWGDEHUSTPU-UHFFFAOYSA-N 307.394 -0.137 30 20 DBED C=CCNC(=O)NC(=O)CNCCCNC(=O)[C@H](F)CC 1164022946 WGRSIZAJRFNUFP-SNVBAGLBSA-N 302.350 -0.158 30 20 DBED C#CCNC(=O)CNCC1(CCNC(=O)c2ncccn2)CC1 1167504922 DXABKJWSFBCZGZ-UHFFFAOYSA-N 315.377 -0.284 30 20 DBED C#CCOCCC(=O)N1CC[C@H](NCc2nc(=O)n(C)[nH]2)[C@@H]1C 1178681382 CFHYZZJBFARQIH-RYUDHWBXSA-N 321.381 -0.773 30 20 DBED C#CCCN[C@H]1CCN(C(=O)[C@H]2CCN(C)S2(=O)=O)[C@H]1C 1179691847 DZEJAWWNHWIYFR-RWMBFGLXSA-N 313.423 -0.377 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2snnc2C)C1 1180921689 SQLQONBHQLWUDA-WDEREUQCSA-N 321.406 -0.211 30 20 DBED C=CCNC[C@@H]1CN(C(=O)CNC(N)=O)CC12CCOCC2 1186246105 SPIORIMYXXTIRX-GFCCVEGCSA-N 310.398 -0.315 30 20 DBED N#CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@]23CCCN(CC2)C3)C1 1187460431 PQNDISIIHZHKPD-CJNGLKHVSA-N 319.409 -0.697 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@H]1CCN(C(=O)c2ccon2)C1 1189097199 YKQKNEDXNNTYTR-NEPJUHHUSA-N 304.350 -0.041 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)[C@]2(F)CCOC2)C1 1191949260 PWOIERGAPOGIAZ-DOMZBBRYSA-N 311.357 -0.603 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)COCC(F)F)C1 1194941867 GPRBLLAAZLKQCM-GHMZBOCLSA-N 306.309 -0.921 30 20 DBED C=CCOCCN1CCCN(C(=O)[C@@H]2CN(C)C(=O)N2)CC1 1196732117 MVICVDWMZOPONN-ZDUSSCGKSA-N 310.398 -0.253 30 20 DBED C=C(C)CN1CCCN(C(=O)[C@@H](CCC(N)=O)NC(C)=O)CC1 1197461145 MZYYAHLOQSRMMB-CQSZACIVSA-N 324.425 -0.133 30 20 DBED N#CCNC(=O)CNC[C@H]1CN(C(=O)C2CCC2)CCCO1 1199673187 RZJPCVGTQLHMDO-ZDUSSCGKSA-N 308.382 -0.367 30 20 DBED C=CCNC[C@H]1CN(C(=O)CN2CCN(C)C(=O)C2)CCCO1 1200840057 GLGUVECZGNKFOL-AWEZNQCLSA-N 324.425 -0.847 30 20 DBED C=CCNC(=O)CN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)CC(N)=O)C2 1204143666 QFYFXSPTPOELGX-IJLUTSLNSA-N 308.382 -0.867 30 20 DBED COCC#CCNCC1CCN(C(=O)[C@@H]2CCNC2=O)CC1 1205866552 MKCJNGCCCJOPLM-CQSZACIVSA-N 307.394 -0.400 30 20 DBED C=CCCC(=O)N[C@@H]1CN(CC(=O)N2CCNC(=O)C2)C[C@H]1C 1206490310 KXPQUWHJJVDQOK-CHWSQXEVSA-N 322.409 -0.653 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)[C@@H]2CCO[C@H]2C)CC1 1206687600 BIMMDTUGYULLTL-DZGCQCFKSA-N 321.421 -0.011 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)[C@H]2CCCC(=O)N2)[C@H](C)C1 1207663137 LCIDBPIIZVFONV-JHJVBQTASA-N 322.409 -0.606 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)/C(C)=C\CC)[C@H](OC)C1 1211964462 NUOZWNJMUHLUKM-PISUUVGWSA-N 307.394 -0.093 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)[C@H]2CCNC(=O)C2)C[C@H]1C 1214429206 XJLYXAZXSTWQTB-HZSPNIEDSA-N 307.394 -0.401 30 20 DBED CC#CCN[C@@H]1CN(C(=O)C2CC3(C2)NC(=O)NC3=O)C[C@H]1C 1215872925 DKLPFWQJYABNSS-QZCIIZHISA-N 318.377 -0.566 30 20 DBED C[C@@H]1CN(C(=O)c2ccc(O)nc2)C[C@H]1NCC(=O)NCC#N 1216647327 GIEWNEFIXKVFGD-ZYHUDNBSSA-N 317.349 -0.523 30 20 DBED C#CCN[C@@H]1CN(C(=O)CCC(=O)N2CCOCC2)C[C@H]1C 1216696584 JNJURRZPQUUSLM-ZIAGYGMSSA-N 307.394 -0.305 30 20 DBED C=CCC(C)(C)C(=O)N[C@@H]1CN(C[C@H](O)COC)C[C@@H]1O 1220434595 RUTGLUQSIFOWJX-XQQFMLRXSA-N 300.399 -0.243 30 20 DBED C=CCCCN1C[C@H](O)[C@H](NC(=O)c2cccnc2C(N)=O)C1 1221035829 TWOOSIROEATCEY-OLZOCXBDSA-N 318.377 -0.078 30 20 DBED N#CCNC(=O)CN1CC[C@@H]2CN(C(=O)[C@H]3CCCO3)[C@@H]2C1 1221242791 ZYPPQYJIIYVXSZ-JHJVBQTASA-N 306.366 -0.662 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC(NC(=O)[C@H](C)COC)CC1 1226579358 LTYIKYCWGKKCCB-OLZOCXBDSA-N 309.410 -0.013 30 20 DBED C=CCN(CC=C)C(=O)CN1CCC(NC(=O)CC(N)=O)CC1 1226740389 HUJFSTOMMCUUIB-UHFFFAOYSA-N 322.409 -0.357 30 20 DBED COCC#CCN1CCC(NC(=O)[C@@H]2COCCN2C)CC1 1226907199 VHUPUHVAQLXITH-HNNXBMFYSA-N 309.410 -0.453 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC(NC(=O)c2ccncn2)CC1 1229655698 ORUPZPJZBSJFPL-GFCCVEGCSA-N 315.377 -0.191 30 20 DBED C#CCN1CCS(=O)(=O)[C@H](CCNC(=O)C[C@H](C)OC)C1 1230437217 XEMPHVKCJDDOEK-QWHCGFSZSA-N 316.423 -0.350 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)c1ccc(O)nn1 1230659630 XLSCTFCNBTURNK-NSHDSACASA-N 317.349 -0.922 30 20 DBED C=CCOCC(=O)N(C)C[C@H]1CCN1Cc1nc(=O)n(C)[nH]1 1231227140 WHJRAOYNOSPFJY-LLVKDONJSA-N 309.370 -0.656 30 20 DBED C=C[C@@](C)(O)CC(=O)N(C)C[C@H]1CCN1CCOCCO 1233935542 CEMKGRIZXXIMQL-UKRRQHHQSA-N 300.399 -0.145 30 20 DBED C#C[C@H](C)N(C)c1nnc(CCN(C)S(N)(=O)=O)n1CC 1263025114 UFWRYSFDGGFKMW-JTQLQIEISA-N 314.415 -0.566 30 20 DBED Cc1cc(NC(=O)C(=O)NC[C@@H](O)C2CC2)n(CCC#N)n1 1319960177 LSLFYSKMAXZUPP-LLVKDONJSA-N 305.338 -0.069 30 20 DBED CN(Cc1cscn1)C(=O)C(=O)N1CC[C@](O)(CC#N)C1 1326528993 DBWWXWYTIPCSES-CYBMUJFWSA-N 308.363 -0.021 30 20 DBED CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCO[C@H](C#N)C1 1328528009 WOSLXLBXJOCIOV-CHWSQXEVSA-N 308.382 -0.272 30 20 DBED N#C[C@H]1CCCN(C(=O)C(=O)N2CCC(OCCO)CC2)C1 1336488698 ITFXUVSJODYVOK-GFCCVEGCSA-N 309.366 -0.252 30 20 DBED C#CCOCCn1nnnc1N1CC[C@@H](CN2CCCC2=O)C1 1337456299 RNYKQBLNJBWIRS-ZDUSSCGKSA-N 318.381 -0.228 30 20 DBED N#C[C@H](C(=O)/C=C/c1ccc[nH]1)C(=O)N1CCS(=O)(=O)CC1 1343471491 WNEVHGJBOUXKLC-AAOUONPWSA-N 321.358 -0.006 30 20 DBED C=C(C)Cn1c([C@H](C)O)nnc1N1CCO[C@H](C(=O)NC)C1 1343631095 MQXMNXMQRSBPHE-QWRGUYRKSA-N 309.370 -0.141 30 20 DBED C=C(C)Cn1c([C@H](C)O)nnc1N1CCO[C@@H](C(=O)NC)C1 1343631096 MQXMNXMQRSBPHE-WDEREUQCSA-N 309.370 -0.141 30 20 DBED C#CCCCCNC(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1 1345203633 IVSFIDHTMRWHCO-HNNXBMFYSA-N 322.453 -0.094 30 20 DBED C[C@H]1CNCCN1C(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1348617918 QYDDKDIIKSDLNU-AAEUAGOBSA-N 305.382 -0.995 30 20 DBED CC(=O)N[C@@H](CC(=O)NCc1ccc(C#N)c(F)c1)C(N)=O 1362560052 WVJXXTDLEILTEC-LBPRGKRZSA-N 306.297 -0.306 30 20 DBED C[C@@H](CC#N)NCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 1364445688 VTDVUKXZMPHDSF-NSHDSACASA-N 324.406 -0.116 30 20 DBED CNC(=O)CN1CCCN(S(=O)(=O)CC2(C#N)CC2)CC1 1364953164 VKPSBPFDPNKHEX-UHFFFAOYSA-N 314.411 -0.626 30 20 DBED C[C@@H](C#N)C(=O)NCC1CN(C(=O)[C@H]2CCCN(C(N)=O)C2)C1 1387929126 MTWPPEXIRMOCNC-JQWIXIFHSA-N 321.381 -0.489 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H](O)CNC(=O)C2CCOCC2)c1 1389037205 KINGWZBECVSNOW-GFCCVEGCSA-N 320.349 -0.480 30 20 DBED C[C@@H](CN(C)C(=O)CCN1CCOCC1)NC(=O)[C@@H](C)C#N 1395627205 XYSHIDWAODPICE-STQMWFEESA-N 310.398 -0.169 30 20 DBED CN(C[C@@H](O)CNC(=O)c1cocn1)C(=O)c1cc(C#N)c[nH]1 1395999704 OUPQJVCWFMCALO-JTQLQIEISA-N 317.305 -0.263 30 20 DBED C[C@H](O)[C@H]1CCCCN1C(=O)CCn1cc(C#N)c(O)nc1=O 1412738999 NQGLLLCNPYQTQG-CMPLNLGQSA-N 320.349 -0.027 30 20 DBED C[C@@H](C#N)C(=O)NC1CCC(NC(=O)Cn2ncnn2)CC1 1415089542 QUXMZNKVIRTKDS-WHXUTIOJSA-N 305.342 -0.624 30 20 DBED Cc1cnc(CNC[C@@H](O)CNC(=O)c2cc(C#N)c[nH]2)nc1 1420094194 DIRIBKRGTIODJM-GFCCVEGCSA-N 314.349 -0.135 30 20 DBED COCCN(CCNC(=O)[C@@H](C)C#N)C(=O)[C@H]1CCC(=O)N1C 1428426809 VTJKHDDLMKKXIO-NWDGAFQWSA-N 324.381 -0.642 30 20 DBED N#Cc1cn(CCNC(=O)c2cccc(O)c2)c(=O)nc1O 1453845786 UIPBTGPVZUVIMQ-UHFFFAOYSA-N 300.274 -0.044 30 20 DBED C[C@H](C#N)C(=O)N[C@@H](CNC(=O)CCc1cnn[nH]1)C1CC1 1454220070 IQNJMZDJWZNMAW-SKDRFNHKSA-N 304.354 -0.092 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1ccnc2ccnn12 1457993977 HRSWHBQNNWBLIE-ZJUUUORDSA-N 316.321 -0.904 30 20 DBED CCOC(=O)CN(C(=O)Cn1cc(C#N)c(O)nc1=O)C(C)C 1464665943 FXBNCRCMURRSMC-UHFFFAOYSA-N 322.321 -0.379 30 20 DBED CC(C)[C@H](CNc1[nH]c(=O)n(C)c(=O)c1C#N)N1CCOCC1 1472649784 WEWUGODFYQWZOE-LBPRGKRZSA-N 321.381 -0.286 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@H]1CCCN1C(=O)c1nonc1C 1483958948 WEANKDNEDYHNBT-NWDGAFQWSA-N 319.365 -0.290 30 20 DBED C#CCNC(=O)CNC[C@@H]1CCCCN1C(=O)c1cnn(C)c1 1491239938 USSZJSVLWLGOLF-AWEZNQCLSA-N 317.393 -0.246 30 20 DBED CC[C@H](C(=O)NC1CN(C(=O)[C@H](C)C#N)C1)N1CCCC1=O 1498195458 LPJFREKPUHSWDS-ZYHUDNBSSA-N 306.366 -0.126 30 20 DBED CNC(=O)NCC(=O)N(C)CCN(C)C(=O)c1cc(C#N)c[nH]1 1501098253 CBWHESKUEHJOSD-UHFFFAOYSA-N 320.353 -0.654 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H]1CCN(C(=O)CNC(=O)O)C1 1573311276 LDBZREBUUGLKFL-QWRGUYRKSA-N 311.338 -0.743 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](Nc2cncc(-c3nn[nH]n3)n2)C1 1573565970 XVCKMBAEVJRQNH-BDAKNGLRSA-N 313.325 -0.171 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](Nc2cncc(-c3nn[nH]n3)n2)C1 1573565973 XVCKMBAEVJRQNH-RKDXNWHRSA-N 313.325 -0.171 30 20 DBED CC#CCN1CCN(CCNC(=O)CCCc2cnn[nH]2)CC1 1575122499 HMTPLTUHMGGCAJ-UHFFFAOYSA-N 318.425 -0.116 30 20 DBED N#Cc1ncc(N[C@@H](CO)[C@@H]2CCCOC2)nc1-c1nn[nH]n1 1581882492 AUBDEBZTGCVMMU-SCZZXKLOSA-N 316.325 -0.272 30 20 DBED C#CC[C@H](NC(=O)Cn1c(O)nc2ccccc2c1=O)C(=O)O 1588407965 SHORTSJXFYOLBZ-NSHDSACASA-N 315.285 -0.305 30 20 DBED C#CCCCC(=O)NC[C@H](O)CN=c1cc[nH]c(C(=O)O)n1 1588435754 YSACGGLHGOFURR-SNVBAGLBSA-N 306.322 -0.711 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)NC1(C(=O)O)CC(CO)C1 1589330909 UOVSFWPGLYLPAA-SILCLGDVSA-N 305.356 -0.862 30 20 DBED N#CCN(CC(=O)O)C(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O 1601069129 GKSITJSHUMDZKM-AOOOYVTPSA-N 305.290 -0.626 30 20 DBED C=C[C@@](C)(O)c1cn(CCn2cc(-c3nn[nH]n3)cn2)nn1 1602794283 TYPGSCWJZAHSMI-GFCCVEGCSA-N 301.314 -0.252 30 20 DBED N#CCNC(=O)CNC(=O)Nc1ccc(F)cc1-c1nn[nH]n1 1609496105 MALUKPUZUOCQJU-UHFFFAOYSA-N 318.272 -0.233 30 20 DBED C#Cc1ccc(C(=O)NC[C@H](C)N[C@@H]2CCC(=O)NC2=O)nc1 1752912495 DIZBJULJJKVEOK-GXFFZTMASA-N 314.345 -0.424 30 20 DBED C=CCNC(=O)CN[C@@H]1CCC[C@@H](NC(=O)c2cnn[nH]2)C1 1752973247 GMCWRDJUODOKCM-GHMZBOCLSA-N 306.370 -0.263 30 20 DBED C#CCCN1CCC[C@H]1CCCNC(=O)Cn1ncn(C)c1=O 1753029970 MWQSSUPQIKCRMG-CQSZACIVSA-N 319.409 -0.034 30 20 DBED C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCN(CC(=O)NCC#N)C2)CCN1C 1753435995 CHODXMBSMKYIJJ-MGPQQGTHSA-N 321.425 -0.501 30 20 DBED C#CCNC(=O)CN[C@@H](CC)CNC(=O)C[C@H]1CCN(C)C1 1753495025 COTZTROCYDIYKO-KGLIPLIRSA-N 308.426 -0.438 30 20 DBED C=CCN1CC[C@H](NCC[C@@H](C)NC(=O)c2cn(C)nn2)C1=O 1753962049 IWUQUECHBZEENT-NEPJUHHUSA-N 320.397 -0.300 30 20 DBED C#CCNC(=O)[C@@H](C)NCCN(CC)C(=O)c1cncn1C 1754056195 UGHJAJWWBQYUEI-GFCCVEGCSA-N 305.382 -0.390 30 20 DBED CC#CCN[C@@H](C)[C@@H]1CCN(C(=O)c2nnc(O)nc2O)C1 1754801452 PQFLQDFNLDZFPA-VHSXEESVSA-N 305.338 -0.254 30 20 DBED C=CCNC(=O)NC(=O)CN[C@H]1CN(C(=O)COC)C[C@H]1C 1755105222 DGNVSVFQSDIADP-MNOVXSKESA-N 312.370 -0.919 30 20 DBED CC(=O)N[C@@H](CC(=O)NC[C@@H]1CCCCCN1CC#N)C(N)=O 1755369381 ZFTNEKFWPKQTRO-STQMWFEESA-N 323.397 -0.749 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H](CO)NCC(=O)NC(C)(C)C 1755628170 QBQNEDJEESOIAQ-VXGBXAGGSA-N 313.398 -0.994 30 20 DBED C=CCN[C@H](CO)CNC(=O)c1cnc2sccn2c1=O 1755633042 MJXFCXDSBHJBOQ-VIFPVBQESA-N 308.363 -0.378 30 20 DBED N#CCNC(=O)CNC[C@@H]1CC[C@H](NC(=O)c2cnco2)C1 1755740196 TVCPPVOYZHDRAK-MNOVXSKESA-N 305.338 -0.198 30 20 DBED CC(C)(C)C#CC(=O)NC[C@H]1C[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 1756260822 INVQIDKFPLWCJL-IJLUTSLNSA-N 320.393 -0.272 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@H](CO)NC(=O)c1cc(C)ncn1 1756515664 NOXPXGPEKYKRLD-ABAIWWIYSA-N 322.365 -0.681 30 20 DBED CC(C)C#CC(=O)N(C)C[C@H](O)CN(C)C(=O)c1ncn(C)n1 1756686060 ONPUXYVTUDATAS-LBPRGKRZSA-N 321.381 -0.634 30 20 DBED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)C3CC3)C2)C1 1784910481 XMQULWTYIOVYSW-OAHLLOKOSA-N 306.318 -0.686 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)[C@@H](C)CC 1793400261 VHNKYKMYZVMQQH-QIRZIZBZSA-N 308.378 -0.384 30 20 DBED N#CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CC(O)C1)C2 1795077403 JJDYKBYFLVNYGX-CNLLGSNDSA-N 307.350 -0.739 30 20 DBED N#CC1(C(=O)N2CC3(CCCN3C(=O)[C@@H]3C[C@H](O)CN3)C2)CC1 1845065356 RPOYRQIXILNIEB-RYUDHWBXSA-N 318.377 -0.784 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1CC[C@](C)(C(=O)O)C1 263503001 UMEWJNIXBNRNFX-LBPRGKRZSA-N 319.383 -0.110 30 20 DBED CC(C)[C@@H](C#N)NC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C 264768831 NVCOCIOFRSYBQL-LLVKDONJSA-N 315.333 -0.090 30 20 DBED N#C[C@@H]1COCCN1S(=O)(=O)c1cccc(-n2cnnn2)c1 266249437 XKGRKTABEAPLAH-LLVKDONJSA-N 320.334 -0.425 30 20 DBED O=C1CN(CCNC(=O)NCC#Cc2ccccc2)CCN1 273022527 UDDWGGYFROQXAK-UHFFFAOYSA-N 300.362 -0.231 30 20 DBED C=CCSCCNC(=O)C(=O)NCCCN1CCOCC1 283594480 OQHILBZINMPVHC-UHFFFAOYSA-N 315.439 -0.140 30 20 DBED CO/N=C/C(=O)N1CCN([C@H](C(N)=O)c2ccccc2)CC1 289272186 FFUQUMRSSRFNBE-MPMPPSQCSA-N 304.350 -0.011 30 20 DBED CN/C(=N\CCNC(=O)C(C)(C)C)NCCN1CCOCC1 303989008 XFWQDZMCLXUFQB-UHFFFAOYSA-N 313.446 -0.354 30 20 DBED CC1(C)CN(/C(O)=N/CCN2CCOCC2)CCS1(=O)=O 329538393 BYNQMIXYLRODBZ-UHFFFAOYSA-N 319.427 -0.258 30 20 DBED CC(C)[C@@](C)(C#N)NC(=O)CN1CCC[C@@H](S(N)(=O)=O)C1 330647444 JJOBUKNFDJOCBE-DGCLKSJQSA-N 316.427 -0.206 30 20 DBED C=CCNC(=O)NC(=O)CN1CCSC[C@@H](C(=O)OC)C1 331879154 CACSRAFUXZJINZ-JTQLQIEISA-N 315.395 -0.164 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N(C)[C@H]1CCN(C)C1=O 337099440 UNGXKANITTUKPE-MNOVXSKESA-N 302.400 -0.125 30 20 DBED C[C@H](CO)N(CC1CCC1)S(=O)(=O)N1CCO[C@@H](C#N)C1 337787514 YGIKIDMQHMSZEE-YPMHNXCESA-N 317.411 -0.062 30 20 DBED CO[C@H]1CN(CC#CCN2C[C@H](OC)[C@H](OC)C2)C[C@@H]1OC 342127273 KKISPJSORPNZTC-YHUYYLMFSA-N 312.410 -0.319 30 20 DBED CCOCCS(=O)(=O)NCC(=O)N1CCSC[C@@H]1C#N 342207350 BRQKRTMDVBRQQH-JTQLQIEISA-N 321.424 -0.590 30 20 DBED N#CCNC(=O)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N 352528869 MMZSDVWLGCZQBC-UHFFFAOYSA-N 323.290 -0.615 30 20 DBED N#Cc1c(Cl)cccc1S(=O)(=O)N[C@H](CO)C(N)=O 352596006 GTESJPNTDRIQSD-MRVPVSSYSA-N 303.727 -0.664 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCN[C@@H]2CC)CC1 353458945 LAGHVSNVBPOGNV-UONOGXRCSA-N 308.426 -0.179 30 20 DBED N#Cc1ccc(NCC(=O)N2CCC(OCCO)CC2)nc1 357914546 MLPUNGGCHUYFTQ-UHFFFAOYSA-N 304.350 0.365 30 20 DBED N#Cc1ccc(CNC(=O)NCCN2CCNC(=O)C2)cc1 358484976 OJRLSNMFZKCRTH-UHFFFAOYSA-N 301.350 -0.211 30 20 DBED C=C[C@H](CO)NC(=O)C(=O)N1CCN(c2ccccc2)CC1 360595452 KXTFMVJRJDJNJH-CYBMUJFWSA-N 303.362 -0.002 30 20 DBED C=CCNC(=O)NC(=O)CN1CCc2c(ncn(CC)c2=O)C1 367019878 FWYLKYRTBMXSGW-UHFFFAOYSA-N 319.365 -0.367 30 20 DBED CNC(=O)CC1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC1 408276559 KCBNWZGVXJUJBM-UHFFFAOYSA-N 319.365 -0.692 30 20 DBED Cn1c(=O)n(C)c2cc(NC(=O)C(=O)NCCC#N)ccc21 427861534 CRYGAKPUIZIHAZ-UHFFFAOYSA-N 301.306 -0.155 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H](C)[C@H]2CN)C1=O 429136325 QBLJPNPOWODSQY-WDEREUQCSA-N 322.365 -0.451 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)NCCN1C[C@@H]2CC[C@H](C1)O2 451883276 BBVWIPMUCMKWSV-RWMBFGLXSA-N 316.427 -0.082 30 20 DBED COCC[C@H](NS(=O)(=O)c1ccc(C#N)c(F)c1)C(N)=O 489702040 GPQURSUQXRRVOW-NSHDSACASA-N 315.326 -0.134 30 20 DBED CNC(=O)[C@H](C)NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 519612383 MBBKMHPXUMGZFN-VIFPVBQESA-N 324.362 -0.913 30 20 DBED CC1CC(C#N)(C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)C1 532321629 LVNHHZYKKBRBHS-UHFFFAOYSA-N 318.377 -0.124 30 20 DBED CN1CCN(CC(=O)NC[C@H]2CCCN(CC#N)C2)CC1=O 547745332 JKOOYWIPWFXKBX-CYBMUJFWSA-N 307.398 -0.888 30 20 DBED CCn1cc(CN(C)S(=O)(=O)N2CCO[C@@H](C#N)C2)cn1 554534991 NOZCTLBEBRCXCT-LBPRGKRZSA-N 313.383 -0.196 30 20 DBED CC(C)(C)CN(CCO)C(=O)C(=O)NC1CCN(CC#N)CC1 588125158 ZGYDSFHZVSNUIT-UHFFFAOYSA-N 324.425 -0.042 30 20 DBED C[C@@H]1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)C[C@@H]1C(=O)O 592457663 RXIQVRWKAIHISX-MXWKQRLJSA-N 317.367 -0.502 30 20 DBED C=CCCOCC(=O)NCCN1CCN(S(C)(=O)=O)CC1 620601992 SIEMNMGVCRBYIA-UHFFFAOYSA-N 319.427 -0.728 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(CC)CCC(=O)O)C1=O 736107132 SKMHIVVXTCDCLR-UHFFFAOYSA-N 311.294 -0.714 30 20 DBED N#CCCNC(=O)CN1CCc2ccc(S(N)(=O)=O)cc21 744401487 BEKCOSOHTSEHDZ-UHFFFAOYSA-N 308.363 -0.274 30 20 DBED CN(C)[C@H]1CCCN(C(=O)C(=O)Nc2cnn(CC#N)c2)C1 746431548 FHFCZSBWDQCALJ-LBPRGKRZSA-N 304.354 -0.102 30 20 DBED C#C[C@H](NC(=O)N1CCN(S(C)(=O)=O)CC1)[C@@H]1CCCO1 773563108 VOFCDANUYLYVQG-RYUDHWBXSA-N 315.395 -0.546 30 20 DBED C#CCOCCNC(=O)C(=O)Nc1ccn(CCN(C)C)n1 785160934 OYTOOVLBBKLRRI-UHFFFAOYSA-N 307.354 -0.851 30 20 DBED C#CCOc1ccc(NC(=O)C(=O)N(C)[C@H]2CCNC2=O)cc1 785294588 WHTYARHDSYEMOM-ZDUSSCGKSA-N 315.329 -0.016 30 20 DBED C#C[C@H](NC(=O)NC[C@@H](O)COCCOCC)[C@@H]1CCCO1 790503200 SSPKQONJPONQQQ-RDBSUJKOSA-N 314.382 -0.120 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C[C@@H]2SC(=N)NC2=O)C1=O 799026882 PURPDGWLGXCFNR-BDAKNGLRSA-N 310.379 -0.212 30 20 DBED Cc1ccc([C@H](O)CNS(=O)(=O)N2CCO[C@@H](C#N)C2)o1 800059554 IOCPTMIBNSKGQG-WDEREUQCSA-N 315.351 -0.320 30 20 DBED C#C[C@@H](NC(=O)C(=O)NCCNC(=O)C(C)(C)C)[C@H]1CCCO1 804097915 LABMPPXYWVJXFY-VXGBXAGGSA-N 323.393 -0.438 30 20 DBED N#Cc1ccc(NCCNC(=O)C2=NN3CCCN=C3N2)nc1 821459243 DSHVJLBWMKHIKU-UHFFFAOYSA-N 312.337 -0.540 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](CC)OC)CC1 831561318 VQNGZLUKCPGEDJ-NSHDSACASA-N 303.384 -0.977 30 20 DBED C[C@@H](CN)CNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 834340789 DHJSLSCQJHAFQU-VIFPVBQESA-N 310.379 -0.564 30 20 DBED Cn1c(=O)n(CCC(=O)N[C@H]2CNC[C@@H]2C#N)c2ccccc21 834516496 IZZMBUNXHBVWJN-RYUDHWBXSA-N 313.361 -0.042 30 20 DBED COc1cc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)[nH]n1 861743535 APGANPUHABTDFJ-SNVBAGLBSA-N 318.337 -0.444 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)[C@@H]1CNC(=O)C[C@@H]1C(F)(F)F 873456865 VKOCCPFSXUVHQA-YIZRAAEISA-N 320.267 -0.018 30 20 DBED N#C[C@@H]1CSCCN1C(=O)CN1CCCCS1(=O)=O 879381354 AFFWWTFIBSHMMQ-SNVBAGLBSA-N 303.409 -0.120 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2CC[C@H](OCC)C2)C1=O 910692387 KBSVGTFEAVHRLC-QWHCGFSZSA-N 323.393 -0.131 30 20 DBED CCNC(=O)CN1CCN(S(=O)(=O)CC(C)(C)C#N)CC1 913893106 JNCWRZMERIYVOE-UHFFFAOYSA-N 316.427 -0.380 30 20 DBED CN([C@H]1CCN(S(C)(=O)=O)C1)S(=O)(=O)CC(C)(C)C#N 915821972 KGIHRNVJTNLQNN-JTQLQIEISA-N 323.440 -0.168 30 20 DBED C#CCN1CCC[C@@H](NC(=O)Cn2cc(C(=O)OC)nn2)C1 923572688 KWUCBDZQUNFKHU-LLVKDONJSA-N 305.338 -0.722 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2nc[nH]n2)C1 938170523 JCJJUVPKAGEWQF-RYUDHWBXSA-N 316.365 -0.767 30 20 DBED C[C@@H](C#N)C(=O)N1CCCN(C(=O)[C@]2(C)CCNC2=O)CC1 942153000 MEOLQPGZYOHXTC-XHDPSFHLSA-N 306.366 -0.267 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2CCCN2C(=O)COC)nn1 943822476 XIQQBYZTLNQFQO-LLVKDONJSA-N 307.354 -0.169 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)c2cnn(C)c2)C1 944478119 PVGMJJYGZMUWCD-JQWIXIFHSA-N 305.338 -0.463 30 20 DBED Cc1ncn(C)c1C(=O)NC[C@@H]1CN(C(=O)[C@@H](C)C#N)CCO1 944635258 MTQYCDYEEUVMGG-CMPLNLGQSA-N 319.365 -0.155 30 20 DBED C#CCCN1CC[C@H](NC(=O)CN2C(=O)CN(C)C2=O)[C@@H](C)C1 944810560 IUCDDTVYMHYOJT-STQMWFEESA-N 320.393 -0.270 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCN(C(=O)[C@H]3COC(=O)N3)CC2)C1 944923700 VGPHHGPAUVVCKF-GHMZBOCLSA-N 320.349 -0.295 30 20 DBED CO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1NC(=O)Cc1cnoc1 945762325 FUSXUGHITMZFEU-MVWJERBFSA-N 306.322 -0.281 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2[C@H]3C[C@H]2N(C(=O)c2nc[nH]n2)C3)cn1 947673000 DCNFYFOWMNAWEF-CYZMBNFOSA-N 322.328 -0.176 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)CCn1ccnn1)CCO2 949080409 GNTWTKPTWHATOY-UHFFFAOYSA-N 317.393 -0.005 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2CCN2C(=O)c2cnnn2C)cn1 951377030 OHYRXJGIRCEMFO-CYBMUJFWSA-N 324.344 -0.164 30 20 DBED C=CCCn1cc(C(=O)N2CCN([C@@H](CC)C(N)=O)CC2)nn1 951617027 NUJJAYANGYJPGV-ZDUSSCGKSA-N 320.397 -0.124 30 20 DBED C[C@H](C#N)C(=O)N1CC(N(C)C(=O)c2cnc3[nH]nnc3c2)C1 954552818 RIFZTTWZTNKYSP-MRVPVSSYSA-N 313.321 -0.205 30 20 DBED C[C@@H](C#N)C(=O)N1CC(N(C)C(=O)C[C@@H]2CCC(=O)N2C)C1 954950223 VQXXNZBOOUZWTK-QWRGUYRKSA-N 306.366 -0.174 30 20 DBED C[C@]1(NC(=O)c2ccc(C#N)[nH]2)CCN(C(=O)CC(N)=O)C1 956833899 GKTWBRVNTHZSAI-AWEZNQCLSA-N 303.322 -0.517 30 20 DBED CC(=O)Nc1ccc(C(=O)NC[C@H]2CN(CC#N)C[C@@H]2O)nc1 958122014 OHIYDLGEEPAICY-FZMZJTMJSA-N 317.349 -0.414 30 20 DBED CCc1cc(C(=O)NC[C@@H]2CN(CC#N)C[C@@H]2O)c(C)nn1 958283250 JAXBGUVDVXCRSL-RISCZKNCSA-N 303.366 -0.107 30 20 DBED C=C(C)CN1C[C@@H](O)[C@@H](CNC(=O)c2ccn3nnnc3c2)C1 958318800 GYCFVEXTBMXYQB-QWHCGFSZSA-N 316.365 -0.277 30 20 DBED C#CCCN1C[C@@H](O)[C@H](CNC(=O)c2c(C)ncnc2O)C1 958345354 NDIIOJXTEIWENV-VXGBXAGGSA-N 304.350 -0.464 30 20 DBED CC#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cccc(=O)n2C)C1 958393935 AXVFJWIESBRGMN-GXTWGEPZSA-N 303.362 -0.569 30 20 DBED CC#CCN1C[C@@H](O)[C@@H](CNC(=O)c2c[nH]c(C)cc2=O)C1 958564654 XOWHVQHIMGNRLU-SWLSCSKDSA-N 303.362 -0.271 30 20 DBED C#CCCN1C[C@H](CNC(=O)c2c(C)nn(C)c2F)[C@@H](O)C1 958631548 SHPWXJNWGMKYQH-RYUDHWBXSA-N 308.357 -0.087 30 20 DBED Cc1cn(C)nc1C(=O)N(C)[C@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1O 958844060 YSRSLOIDMAWXBU-USWWRNFRSA-N 319.365 -0.468 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CN2CCCC2)C1 958851115 CYIIEMHPSALHRZ-AVGNSLFASA-N 308.382 -0.728 30 20 DBED C[C@@H](NC(=O)c1nnn(C)n1)[C@@H]1CCN(C(=O)C#CC2CC2)C1 959158153 OPCUMCCMSYTIDI-ZYHUDNBSSA-N 316.365 -0.410 30 20 DBED N#Cc1ccc(CN2C[C@H]3[C@H](NC(=O)Cn4ncnn4)[C@H]3C2)cc1 959904692 XCNGKHJITNXQQO-FOLVSLTJSA-N 323.360 -0.209 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CN(C(=O)c3cc(=O)n(C)o3)C[C@H]2C1 961450603 OUOLYNGNDHNQCO-GARJFASQSA-N 318.333 -0.332 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@H](NC(=O)Cc2ccn(C)n2)C1 962882863 KDHHGYRAAOLBMV-OLZOCXBDSA-N 320.393 -0.137 30 20 DBED C[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)c1cn(C)nn1 966401542 QULDVWIBRSPRBI-CMPLNLGQSA-N 301.350 -0.195 30 20 DBED C#CCN1CC[C@H](C)[C@H](NC(=O)CN2CCN(C)C(=O)C2)C1 967027392 AVHNKQIZJSYZEX-UONOGXRCSA-N 306.410 -0.780 30 20 DBED CC[C@@H](OC)C(=O)N1CCN(C2CN(C(=O)[C@H](C)C#N)C2)CC1 967198493 MXBCMCWGHLHYTK-TZMCWYRMSA-N 322.409 -0.074 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CC[C@H]1CN2CC(=O)N1CCOCC1 971195352 RAWNLJDBSOVWNI-MCIONIFRSA-N 320.393 -0.320 30 20 DBED C=CCN1CCO[C@@]2(CCN(C(=O)Cn3ncn(C)c3=O)C2)C1 972441314 RAUZQDDZJLSGSD-HNNXBMFYSA-N 321.381 -0.929 30 20 DBED CN1CC[C@@H](C(=O)N2CC[C@]3(CN(CC#N)CCO3)C2)C1=O 972507006 SSWPXYIGJXTOCV-DOMZBBRYSA-N 306.366 -0.708 30 20 DBED C#CCN(C)[C@H]1CCN(C(=O)C2(n3cnnn3)CCOCC2)C1 972519563 ASIDHUGMCPJZBP-ZDUSSCGKSA-N 318.381 -0.655 30 20 DBED O=C1NCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)C#CC3CC3)C[C@H]21 974725824 IDWUHGJPLFGYCC-MGPQQGTHSA-N 315.373 -0.405 30 20 DBED CC#CCN1C[C@H]2[C@H](CNC(=O)[C@@H]3COCCN3C(C)=O)[C@H]2C1 979086457 FHJBXWIDDWJJFG-JONQDZQNSA-N 319.405 -0.449 30 20 DBED COCCn1nc(C(=O)N2C[C@@H](NCC#N)C[C@@H]2C)ccc1=O 989140905 CMFNHESTBWDZHG-RYUDHWBXSA-N 319.365 -0.394 30 20 DBED N#Cc1cc(C(=O)N2CC[C@@H](NC(=O)C(F)F)[C@H](O)C2)c[nH]1 991153078 CXCRYTWEVAQNTQ-NXEZZACHSA-N 312.276 -0.157 30 20 DBED C=CCN[C@@H]1CCC[C@@H]2CN(C(=O)CN3C(=O)CNC3=O)C[C@@H]21 992903740 RSMPMRMNKWHUNV-FRRDWIJNSA-N 320.393 -0.059 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(OC2CN(C(=O)CC(N)=O)C2)CC1 994823453 YWXRVXCADUSXEQ-JTQLQIEISA-N 322.365 -0.760 30 20 DBED C[C@H](C#N)C(=O)N1CC(N2C[C@@H](NC(=O)C(C)(C)F)CC2=O)C1 995474200 PXQQNLIEWRWVIT-ZJUUUORDSA-N 324.356 -0.178 30 20 DBED C#CCCN1CC=C(CNC(=O)c2cnc(O)n(C)c2=O)CC1 1001035306 GDXVMRCIPBVNFL-UHFFFAOYSA-N 316.361 -0.129 30 20 DBED C[C@@H](NC(=O)[C@H]1CNC(=O)N1)C1CN(C(=O)C#CC2CC2)C1 1006750671 VURCNMOSLXPHJA-BXKDBHETSA-N 304.350 -0.956 30 20 DBED Cn1cc(C(=O)NCC2[C@H]3CN(C(=O)C#CC4CC4)C[C@H]23)nn1 1009019160 STLPARRIMYTPAR-CHWSQXEVSA-N 313.361 -0.337 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@H](CNC(=O)[C@@H]3[C@H]4COC[C@H]43)[C@H]2C1 1009389218 BYTNLGFEWDJPTQ-OSBMCDJTSA-N 303.362 -0.141 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C(=O)[C@]2(C)CCNC(=O)C2)CC1 1011322946 DZEMVHPUUFBWTI-IAQYHMDHSA-N 306.366 -0.267 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CCNC2=O)CC1 1011901480 CDAOZFSQXSSGDB-UPJWGTAASA-N 321.377 -0.616 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C(=O)[C@H]2CCCCN2C(N)=O)CC1 1012330564 HXXHBTCUDQBCIZ-VXGBXAGGSA-N 321.381 -0.250 30 20 DBED C[C@@H]1CCN(C(=O)C(=O)N2CCN(C(=O)[C@H](C)C#N)CC2)C1 1012331700 XPZHFTGWLMDVKF-VXGBXAGGSA-N 306.366 -0.315 30 20 DBED CC#CCN1CC[C@H](NC(=O)[C@@H]2CCc3nnnn3CC2)C1 1015730910 HMLKMBOXAHICFB-OLZOCXBDSA-N 302.382 -0.161 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)C1 1015992975 SZVDGAMURZJHKO-SNVBAGLBSA-N 300.322 -0.755 30 20 DBED C#CCN1CCC2(CC1)C[C@H]2NC(=O)[C@H]1CCS(=O)(=O)N1 1016979061 MXJAPQPGPJMKNC-VXGBXAGGSA-N 311.407 -0.718 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CC[C@@H](C)N(C(=O)C(N)=O)C2)nn1 1018159363 FOIYXGMYIRIPIJ-ZJUUUORDSA-N 320.353 -0.941 30 20 DBED N#Cc1ccc(CN[C@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)C2)s1 1019309002 NFPGOEAYLGGXBX-CABZTGNLSA-N 319.390 -0.008 30 20 DBED C=CCn1cc(C(=O)N[C@H]2C[C@H](N[C@H](CC)C(N)=O)C2)nn1 1020699827 AIILARDSPIRYLX-GMTAPVOTSA-N 306.370 -0.422 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccnc(F)c2)C1 1023166736 HKKJDBWSHBMENM-FBIMIBRVSA-N 306.297 -0.318 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(F)cn2)C1 1023474430 RKKYMSHSZWVZRE-XXILOJSOSA-N 306.297 -0.318 30 20 DBED CN1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2O)C1 1023782689 XBWGIAPICLIYOT-MGPQQGTHSA-N 305.378 -0.961 30 20 DBED C#CCN[C@@H]1CC[C@@H]2CN(C(=O)c3cn(C)c(=O)cn3)C[C@H]21 1026318563 YIXUXOVVQIFNCU-JHJVBQTASA-N 300.362 -0.146 30 20 DBED CN(C)C(=O)Cn1cc(C(=O)NC[C@H]2CCCN2CC#N)nn1 1028334758 HTVDENWQAIBZTB-LLVKDONJSA-N 319.369 -0.916 30 20 DBED Cn1nnc2c1C[C@H](C(=O)NC[C@@H]1CCN(CC#N)C1)CC2 1028764576 JUDJLVNDGPGUFK-NWDGAFQWSA-N 302.382 -0.118 30 20 DBED CC#CCN1C[C@@H]2C[C@H]1CN2C(=O)CN1C(=O)NC(=O)C1(C)C 1032715598 FKNYEXRFGWPUMM-RYUDHWBXSA-N 318.377 -0.375 30 20 DBED C#CCOc1ncccc1C(=O)N1C[C@@H]2C[C@H]1CN2CC(N)=O 1032740381 LJPWJWZSNGJTKB-RYUDHWBXSA-N 314.345 -0.522 30 20 DBED C=CCn1cc(C(=O)N(C)[C@@H]2CCN(CC(=O)NC)C2)nn1 1033484427 PYMAFVMPTQAFLF-LLVKDONJSA-N 306.370 -0.644 30 20 DBED C#CCN1CCO[C@H](CNC(=O)c2ccc(=O)n(CCC)n2)C1 1035601867 DEISNDDSRIAPIZ-CYBMUJFWSA-N 318.377 -0.283 30 20 DBED C#CCN[C@@H]1CCN(C(=O)c2cn(CCOC)nn2)C[C@@H]1C 1036024657 XQQBCRXTPLMMCO-QWHCGFSZSA-N 305.382 -0.002 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2CCN2[C@H](CC)C(N)=O)nn1 1038793050 ZOGRPXLPDVNMFQ-CMPLNLGQSA-N 306.370 -0.468 30 20 DBED C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CN1CC(=O)NC1=O 1039453104 HYMPLNOLYXHSFK-OLZOCXBDSA-N 318.377 -0.373 30 20 DBED C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCS(=O)(=O)N1 1039472677 FSKFPFZRAGUDBQ-AGIUHOORSA-N 311.407 -0.623 30 20 DBED O=C(C#CC1CC1)NC[C@@]1(O)CCN(C(=O)c2ccncn2)C1 1039681309 YQAYOJWXYIDMOQ-INIZCTEOSA-N 314.345 -0.417 30 20 DBED Cn1cnn(CCC(=O)N2C[C@@H]3CCC[C@H](C2)N3CC#N)c1=O 1039790057 HOKKDRDSMAXXFX-BETUJISGSA-N 318.381 -0.439 30 20 DBED C=CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)c2ccc[nH]2)C1 1041442652 JVOHZYGAOPWBBM-LLVKDONJSA-N 307.350 -0.091 30 20 DBED N#CCSCC(=O)NCC1(O)CN(C(=O)[C@H]2CC23CC3)C1 1041570443 PHHJFBRWVGDDAS-SNVBAGLBSA-N 309.391 -0.267 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)C[C@H]2CCOC2)C1 1042245574 WLCFTDKTFMSPKM-CYBMUJFWSA-N 308.378 -0.094 30 20 DBED C#CCNC(=O)CC(=O)NCC1(O)CN(C(=O)[C@@H](C)C(C)C)C1 1042679455 PZMVNZLWTNRENB-LBPRGKRZSA-N 323.393 -0.893 30 20 DBED CO[C@@H]1CN(c2nccnc2C#N)C[C@H]1NC(=O)c1cn[nH]c1 1042757521 NQNSLYZBDKTZCD-VXGBXAGGSA-N 313.321 -0.295 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(O)CN(C(=O)[C@@H]2CCOC2)C1 1042807835 ZOLHAWPZYYRLIC-BXUZGUMPSA-N 312.366 -0.961 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)C2CC(C)C2)C1 1043038973 AUIUKJYCGDUYNL-OTTFEQOBSA-N 308.378 -0.240 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)[C@H](CC)OC)C1 1043039012 BJFDZNLIOQWBGO-RYUDHWBXSA-N 312.366 -0.861 30 20 DBED CCn1cc(C(=O)NCC2(O)CN(C(=O)[C@H](C)C#N)C2)c(C)n1 1043082472 PBWFAWIMYJMYET-SNVBAGLBSA-N 319.365 -0.326 30 20 DBED C=C1CC(C)(C(=O)N2CC(O)(CNC(=O)Cn3nccn3)C2)C1 1043212182 MVANEKXRUWYBAC-UHFFFAOYSA-N 319.365 -0.676 30 20 DBED C=CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)[C@@H](C)OCC)C1 1043571204 MLRCDPLVEXKEPM-VXGBXAGGSA-N 314.382 -0.308 30 20 DBED C=C[C@@H](C)[C@H](C)C(=O)N1CC(O)(CNC(=O)C2(C(N)=O)CC2)C1 1045493328 FUWDPTKDNOAZQO-MNOVXSKESA-N 323.393 -0.600 30 20 DBED Cc1cccnc1C(=O)N1CC(O)(CNC(=O)[C@@H](C)C#N)C1 1045540964 NTBQFDMMPJAPNR-NSHDSACASA-N 302.334 -0.147 30 20 DBED CN1CC[C@@H](C(=O)N2CCN([C@@H]3CCN(CC#N)C3)CC2)C1 1046082919 YCJRNGFMDHNSTE-HUUCEWRRSA-N 305.426 -0.320 30 20 DBED COC[C@@H](C)C(=O)N(C)[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 1048547428 IRTWJOHAFAQPMN-XBFCOCLRSA-N 308.378 -0.288 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H]2[C@@H]1CCN2Cc1nc(=O)n(C)[nH]1 1049381717 LMLFMEIGGRAVMQ-WOPDTQHZSA-N 318.381 -0.167 30 20 DBED C[C@@H](NC(=O)Cn1cnnn1)[C@@H]1CCN(C(=O)C#CC2CC2)C1 1050667099 VYKHPDPBAUGKSB-DGCLKSJQSA-N 316.365 -0.560 30 20 DBED CC#CCN1CCOC[C@@H]1CNC(=O)c1cn(C)c(=O)cn1 1051035657 WIWVOEMZKVLKMQ-LBPRGKRZSA-N 304.350 -0.766 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1COCCN1CC(=O)NC 1051114425 JBIOEUVIMPZPTN-XQQFMLRXSA-N 311.382 -0.860 30 20 DBED CC#CCN1CCOC[C@@H]1CNC(=O)[C@@H]1CCCC(=O)N1C 1051229169 VMHHXRHDAUSXNV-KBPBESRZSA-N 307.394 -0.162 30 20 DBED N#Cc1cncc(N2CC[C@@H](NC(=O)c3cn[nH]c3)[C@H](O)C2)n1 1051626273 LZYANOBCDXHSOB-VXGBXAGGSA-N 313.321 -0.559 30 20 DBED C=CCN1CCN([C@H]2CCN(C(=O)[C@H]3COCCN3C)C2)CC1 1052017831 WITRIKRETWNRAW-JKSUJKDBSA-N 322.453 -0.279 30 20 DBED C[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1CNC(=O)c1cnn[nH]1 1053243816 XELJQSMZSLZIQT-NXEZZACHSA-N 312.337 -0.031 30 20 DBED COCCn1ccc(C(=O)N2CCOC3(CN(CC#N)C3)C2)n1 1053336751 LHIPZRQDRHZBRL-UHFFFAOYSA-N 319.365 -0.420 30 20 DBED C=CCN[C@H]1CN(C(=O)CN2CCCS2(=O)=O)C[C@@H]1C 1054715324 XWBBQFLSPYBDAG-RYUDHWBXSA-N 301.412 -0.356 30 20 DBED CNC(=O)CC(=O)N1C[C@H]2CN(C(=O)C#CC(C)C)C[C@H]2C1 1055303097 DEMARWFJCWBCKP-BETUJISGSA-N 305.378 -0.301 30 20 DBED COC(=O)[C@H]1C[C@@H]1C(=O)N1CCN(c2ccc(C#N)nn2)CC1 1055734524 AZLBTOOQABZVKW-RYUDHWBXSA-N 315.333 -0.194 30 20 DBED Cc1cc(C#N)nc(N2CCN(C(=O)c3nccnc3N)CC2)n1 1055753647 YITNPUOLMZXFCP-UHFFFAOYSA-N 324.348 -0.009 30 20 DBED Cc1nc(N2CCN(C(=O)[C@H]3CNC(=O)N3)CC2)ccc1C#N 1055998653 LTCDMZOGLCUQKE-GFCCVEGCSA-N 314.349 -0.408 30 20 DBED C=CCCC(=O)N1CCC[C@](CO)(NC(=O)c2nc[nH]n2)C1 1056045161 ABHUDECOFCCGGW-AWEZNQCLSA-N 307.354 -0.146 30 20 DBED C=C(C)C[C@@H](C)C(=O)N1CCC[C@](CO)(NC(=O)C(N)=O)C1 1056091321 SJCBYBNUDPRXMY-ABAIWWIYSA-N 311.382 -0.456 30 20 DBED Cn1ccc(C(=O)N[C@H]2[C@@H]3CN(c4nccnc4C#N)C[C@@H]32)n1 1056224786 FHBLCQJTRMECAB-IWIIMEHWSA-N 309.333 -0.054 30 20 DBED C#CCOCCC(=O)NCCN(CCO)C(=O)C(C)(F)F 1056786636 PVEDUVLWTLDJEH-UHFFFAOYSA-N 306.309 -0.381 30 20 DBED C=C[C@@H](CC)CC(=O)NCCN(CCO)C(=O)CNC(C)=O 1056817170 HJNPPMMHWMIKHN-ZDUSSCGKSA-N 313.398 -0.338 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)c1cscn1 1057187713 GLETYOIJHBJMLL-UHFFFAOYSA-N 313.379 -0.104 30 20 DBED N#Cc1cc(C(=O)N(CCO)CCNC(=O)[C@H]2CCOC2)c[nH]1 1057392062 YLNADXHHUCPQPV-NSHDSACASA-N 320.349 -0.526 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)C[C@@H]1CCC(=O)N1 1057439329 IKAXVNPHFKSPGC-ZDUSSCGKSA-N 323.393 -0.604 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)[C@@]1(F)CCOC1 1057525459 UNSAGOHSQPGXRW-OAHLLOKOSA-N 314.357 -0.289 30 20 DBED Cc1ccc(C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N)nn1 1057543032 UGIWQQKKLVYEGN-JTQLQIEISA-N 305.338 -0.505 30 20 DBED CC#CCCCC(=O)N(CCO)CCNC(=O)c1cnn[nH]1 1058446236 USTCQESKQGJSCP-UHFFFAOYSA-N 307.354 -0.451 30 20 DBED CCc1nocc1C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N 1058656950 NJPGRSKNRGGNLH-JTQLQIEISA-N 308.338 -0.053 30 20 DBED C=C1CC(C)(C(=O)N(CCO)CCNC(=O)c2nc[nH]n2)C1 1058771117 RJONFXNOHIWFNE-UHFFFAOYSA-N 307.354 -0.288 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)[C@@H]1CN(C)C[C@@H]1C 1058846895 IIUOOOZABQSUCS-LSDHHAIUSA-N 323.437 -0.075 30 20 DBED N#Cc1cnc(N[C@H]2C[C@H](NC(=O)C3CS(=O)(=O)C3)C2)cn1 1059313238 VMFPXKAJHNNKTM-MGCOHNPYSA-N 321.362 -0.548 30 20 DBED N#Cc1ccc(C(=O)NCC[C@@H]2CCN(C(=O)CC(N)=O)C2)[nH]1 1059379442 RGUIBVFJRPUDFO-SNVBAGLBSA-N 317.349 -0.270 30 20 DBED Cn1cc(C(=O)N[C@H]2C[C@H](N=c3cc[nH]cc3C#N)C2)ncc1=O 1059472897 NBNCKXMJWPXEKK-HAQNSBGRSA-N 324.344 -0.158 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@@H](CCNC(=O)c2cnn[nH]2)C1 1059648003 KWCNIUZVXCCQJN-NWDGAFQWSA-N 319.365 -0.189 30 20 DBED CC(=O)N[C@H](C)C(=O)NC[C@@H]1COCCN1C(=O)C#CC(C)C 1061252292 FKQLIDFVSMSWNS-TZMCWYRMSA-N 323.393 -0.486 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCOC[C@@H]1CNC(=O)c1cnco1 1061731172 XYLYMRWWYFDDSJ-NHYWBVRUSA-N 323.349 -0.041 30 20 DBED CCCC(=O)NCC(=O)N1CCOC[C@H]1CNC(=O)[C@H](C)C#N 1061846652 PNCPGWFWGLQTHB-VXGBXAGGSA-N 324.381 -0.594 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)CCn1ccnc1 1061852672 LEUOUAIGDSXEFP-CHWSQXEVSA-N 319.365 -0.224 30 20 DBED Cc1ccn(CC(=O)NC[C@@H]2COCCN2C(=O)[C@@H](C)C#N)n1 1061912301 UYJUKAKZQLJYNA-WCQYABFASA-N 319.365 -0.305 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CCCCN1C(=O)Cn1ncnn1 1062232853 RXCWEYOMYQFHFJ-GHMZBOCLSA-N 305.342 -0.670 30 20 DBED N#Cc1ccc(NC[C@@H]2CCCN2C(=O)[C@H]2CCNC2=O)nn1 1064983637 DWLFZJLAVAFCJO-RYUDHWBXSA-N 314.349 -0.113 30 20 DBED CC(C)C#CC(=O)N1CCO[C@@H](CNC(=O)C2=COCCO2)C1 1065124521 OIDHAXRBRDJGDL-ZDUSSCGKSA-N 322.361 -0.122 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(C(=O)[C@@H](C)C#N)CCO1 1065557317 PJRJSSVRABJFKP-QWHCGFSZSA-N 307.350 -0.470 30 20 DBED CN(C(=O)c1cnon1)[C@H]1CN(c2ccc(C#N)cn2)C[C@@H]1O 1065599355 IQCSNZGRNQEBDV-RYUDHWBXSA-N 314.305 -0.342 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](CNC(=O)c3ccncn3)C2)cn1 1067675405 BDXVDOIZVXKTNI-IAQYHMDHSA-N 324.344 -0.030 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@@H](CNC(=O)c3cnco3)C2)nn1 1067688327 DQWLXIPZZKCVMQ-GXSJLCMTSA-N 314.305 -0.437 30 20 DBED CCC(=O)NCC(=O)N[C@@H]1COC2(C1)CN(C(=O)[C@@H](C)C#N)C2 1068766599 JLWYRCZULSXYCY-QWRGUYRKSA-N 322.365 -0.842 30 20 DBED Cc1cc(=N[C@@H]2CCN(C(=O)CC(N)=O)[C@@H]2C)c(C#N)c[nH]1 1068807950 UNWASEORDISFLS-ZYHUDNBSSA-N 301.350 -0.040 30 20 DBED C[C@H]1C[C@H](N=c2cc[nH]cc2C#N)CN1C(=O)Cn1cnnn1 1069005755 HXQNQKBYZFVBJY-JQWIXIFHSA-N 312.337 -0.537 30 20 DBED N#CCSCC(=O)N1CCC[C@@]2(CCN(C(=O)C(N)=O)C2)C1 1069714960 IGPDRUWIZPYFPM-CQSZACIVSA-N 324.406 -0.430 30 20 DBED CC#CCN1CCn2ncc(CNC(=O)[C@H]3CCC(=O)N3)c2C1 1069855652 LLUNOPNUPXVOSG-CYBMUJFWSA-N 315.377 -0.383 30 20 DBED CC#CCCCC(=O)N[C@@H]1CCCN(C(=O)CNC(N)=O)C1 1070398804 UJXSCWJCPCBOKD-GFCCVEGCSA-N 308.382 -0.045 30 20 DBED C#CCN1CCOC[C@H]1c1n[nH]c(CNC(=O)c2cc[nH]n2)n1 1070580734 YRDDIJWJAMIGQJ-NSHDSACASA-N 315.337 -0.536 30 20 DBED C=CCCOCC(=O)N[C@@H]1CCCN(C(=O)Cn2nccn2)C1 1070791050 AAAJXAFEMCQDOY-CYBMUJFWSA-N 321.381 -0.022 30 20 DBED C=C(C)CN1CCNC(=O)CCN(C(=O)c2nnn(C)n2)CC1 1070986833 FJFPVZGQJVOWMU-UHFFFAOYSA-N 321.385 -0.950 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)c2ccncn2)CC1 1071009350 MIIWFYYDZDJMRP-UHFFFAOYSA-N 303.366 -0.073 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)CCc2nc[nH]n2)C[C@H]1C 1071878894 WIHYNMJXAMNCNR-VXGBXAGGSA-N 321.381 -0.097 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H](C)[C@@H](NC(=O)c2ccoc2)C1 1071932923 OXKQYUHKEOVCLD-AAEUAGOBSA-N 317.345 -0.004 30 20 DBED CC#CCN1CCC2(C1)CN(C(=O)Cn1ccc(O)nc1=O)C2 1072901514 VLORXTZEOLGBMC-UHFFFAOYSA-N 316.361 -0.494 30 20 DBED CC#CCN1CCCO[C@@H](CNC(=O)[C@H]2COCCN2CC)C1 1073664463 HDNGKOIOPKHXNK-JKSUJKDBSA-N 323.437 -0.063 30 20 DBED Cn1cc(CC(=O)N2CC[C@@H]3OCCN(CC#N)[C@H]3C2)cn1 1074195699 YWTBWORDGQAFIW-KBPBESRZSA-N 303.366 -0.212 30 20 DBED Cn1cc(CC(=O)N2CC[C@@H]3OCCN(CC#N)[C@@H]3C2)cn1 1074195700 YWTBWORDGQAFIW-KGLIPLIRSA-N 303.366 -0.212 30 20 DBED CCn1ncc(C(=O)N2CC[C@H]3OCCN(CC#N)[C@H]3C2)n1 1074236649 PTJUOHQKZQKWLM-QWHCGFSZSA-N 304.354 -0.263 30 20 DBED Cc1nonc1C(=O)NCC1(O)CCN(C(=O)[C@@H](C)C#N)CC1 1074706234 IOTRHAWDVRDOMZ-VIFPVBQESA-N 321.337 -0.379 30 20 DBED C=CCOCC(=O)N1CC[C@H](NC(=O)Cn2cncn2)C[C@@H]1C 1075203447 FPAZEPUDCVAARH-STQMWFEESA-N 321.381 -0.024 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)c1ccn(C)c1 1076219085 SWEHKFWAJVEOQE-LBPRGKRZSA-N 318.377 -0.211 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)Cn2cnc3c2CCCC3)C1 1077397122 LOSRQBIQFPPYMZ-TZMCWYRMSA-N 303.366 -0.553 30 20 DBED C[C@@H](CCNC(=O)[C@H](C)CC(N)=O)NC(=O)CSCC#N 1077726634 UHUSTKZWBMALOL-ZJUUUORDSA-N 314.411 -0.234 30 20 DBED C=C[C@](C)(O)CC(=O)N(CC)C1CN(C(=O)[C@H]2CCC(=O)N2)C1 1079684188 AOVMDCHGSPDKDO-WBMJQRKESA-N 323.393 -0.349 30 20 DBED C#CCCCCC(=O)N1CC(N(CC)C(=O)Cn2ncnn2)C1 1079829215 BYOJCIZHRQRFAV-UHFFFAOYSA-N 318.381 -0.074 30 20 DBED C=CCCC(=O)NC1(CO)CCN(C(=O)[C@H]2CNC(=O)N2)CC1 1080768534 ZOCGQRTVZBRPJG-LLVKDONJSA-N 324.381 -0.896 30 20 DBED C=CCCC(=O)N1CCC(CO)(NC(=O)Cn2cncn2)CC1 1081011908 STVZTPABPKKZTQ-UHFFFAOYSA-N 321.381 -0.286 30 20 DBED C=CCCC1(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)CC(N)=O)C2)CC1 1081368873 UFRDSUOXDDTSBC-NWDGAFQWSA-N 323.393 -0.456 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](O)[C@H](CNC(=O)CCN(C)C)C1 1081730487 SVECDWZNEKFMLG-ZIAGYGMSSA-N 309.410 -0.467 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@@H]1CCc2nnn(C)c2C1 1082069791 ZTCZYODTYZIWAM-MPKXVKKWSA-N 318.381 -0.741 30 20 DBED C=CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CCN(C)C1=O 1083168240 PVIZHVQOIFSGAV-MELADBBJSA-N 307.394 -0.048 30 20 DBED C=CCN1CC[C@H](N2C[C@H](O)[C@H](NC(=O)c3ccon3)C2)C1=O 1083356139 FDDFTWCNESLCSV-AGIUHOORSA-N 320.349 -0.764 30 20 DBED Cc1nc(CN2C[C@H](O)[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)n[nH]1 1083392329 CSCCRRBGJMJHBM-NEPJUHHUSA-N 315.337 -0.712 30 20 DBED Cn1cncc1CN1C[C@H](O)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 1083414109 MFXWPYJVBDIYEY-KGLIPLIRSA-N 314.349 -0.405 30 20 DBED N#CCN1CC[C@@H]2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@@H]21 1085031444 WVLHSFPWKWQLGF-MROQNXINSA-N 306.366 -0.534 30 20 DBED C[C@H](C[C@@H](C)NC(=O)c1cnn[nH]1)N=c1cc[nH]c(C#N)n1 1089509640 VIEHFFFWEKYGAS-RKDXNWHRSA-N 300.326 -0.103 30 20 DBED C#CCN1CC[C@H](NC(=O)Cc2cc(CC)nn2C)[C@@H](O)C1 1090445079 MDYMPNHZPBAAJY-GJZGRUSLSA-N 304.394 -0.290 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2cn(CC3CC3)nn2)[C@H](O)C1 1090682281 JYRCJTCWVWIKDY-DGCLKSJQSA-N 304.354 -0.623 30 20 DBED Cn1nnc(CNC2CC(CNC(=O)c3cc(C#N)c[nH]3)C2)n1 1090969736 CBZPVIISZYNTTF-UHFFFAOYSA-N 314.353 -0.292 30 20 DBED N#Cc1nc(=NCCNC(=O)c2cncc(C(N)=O)c2)cc[nH]1 1093659746 OUMWGBBWKNKJRF-UHFFFAOYSA-N 311.305 -0.894 30 20 DBED N#Cc1c[nH]ccc1=NCCNC(=O)CNC(=O)C1CCC1 1093673087 HFCGQSZDVQBEBN-UHFFFAOYSA-N 301.350 -0.180 30 20 DBED N#Cc1cccnc1NCCNC(=O)c1cc(=O)n2[nH]cnc2n1 1093761636 QGBWPGJNUOBQCU-UHFFFAOYSA-N 324.304 -0.474 30 20 DBED Cc1nn(C)c(F)c1C(=O)NCCN=c1cc[nH]c(C#N)n1 1093779452 LECUBYNLOXCHSF-UHFFFAOYSA-N 303.301 -0.207 30 20 DBED C=CCN1CCN(C(=O)c2ccnnc2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094663565 TWIQPPDHFRJUDV-QWHCGFSZSA-N 322.390 -0.414 30 20 DBED C#CCCN1CC(N2C[C@@H](NC(=O)[C@H]3CCN(C)C3)CC2=O)C1 1094815211 OHYNEUDPMSTUEU-KBPBESRZSA-N 318.421 -0.637 30 20 DBED C=CCN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN1CC(=O)NC1=O)C2 1095014157 FQWPLBDXYGTTQE-TUAOUCFPSA-N 306.366 -0.307 30 20 DBED C#CCCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN1CCN(C)C(=O)C1 1095646270 WHDRHBZRQUZRSN-ILXRZTDVSA-N 318.421 -0.495 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN1C(=O)NC(=O)C1(C)C 1096285793 FGIHVSSJGNISEF-WOPDTQHZSA-N 318.377 -0.329 30 20 DBED C[C@H](NC(N)=O)C(=O)N1CC[C@H](CNc2ccc(C#N)nn2)C1 1098521962 QGSFRXUNFDZRNY-VHSXEESVSA-N 317.353 -0.335 30 20 DBED C#CCNCc1cn([C@@H]2CCN(C(=O)Cc3ncc[nH]3)C2)nn1 1098757651 QPACUWIESSAYCE-CYBMUJFWSA-N 313.365 -0.260 30 20 DBED C[C@@H](CCNC(=O)[C@@H]1CN(C)CCO1)Nc1nccnc1C#N 1098998577 NAQBQLXHNSLPHW-AAEUAGOBSA-N 318.381 -0.014 30 20 DBED CN(C)C(=O)CC(=O)N[C@H]1CN(CC#N)CC2(CCOCC2)C1 1099592759 JLGGYEOXSKPSOA-CYBMUJFWSA-N 322.409 -0.024 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(Cc2cnnn2C)C[C@@H]1O 1099740367 BYQLFTZVQPKFHD-OLZOCXBDSA-N 309.370 -0.931 30 20 DBED C#CCCCC(=O)N[C@H]1CCN(CCS(C)(=O)=O)C[C@H]1O 1099806712 FOLYZTMPZMUFKJ-QWHCGFSZSA-N 316.423 -0.614 30 20 DBED C#CCN1CC[C@@H](NC(=O)C(=O)Nc2ccccc2)[C@@H](O)C1 1099904134 QWTAFVRISKKOGO-KGLIPLIRSA-N 301.346 -0.190 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)C(C)(C)C=C)[C@H](O)C1 1099944264 LCFKXVDMKXWTAG-QWHCGFSZSA-N 307.394 -0.501 30 20 DBED C=CCCN1CC[C@H](NC(=O)CCc2cnn(C)n2)[C@@H](O)C1 1100008829 OVHBNWRSFWKVMD-KBPBESRZSA-N 307.398 -0.125 30 20 DBED CN(CCNC(=O)[C@@H]1COCCN1C)c1ccnc(C#N)n1 1100028132 HBMZSNDNHCDEMK-NSHDSACASA-N 304.354 -0.769 30 20 DBED C#CCCN1CC[C@@H](NC(=O)COC2CCN(C)CC2)[C@H](O)C1 1100055982 MLNFNRDHSRFGGJ-HZPDHXFCSA-N 323.437 -0.328 30 20 DBED CN(CCNC(=O)[C@H]1CCCS1(=O)=O)c1ccnc(C#N)n1 1100135142 JAPSEIPSTWAYPX-SNVBAGLBSA-N 323.378 -0.522 30 20 DBED C#CCOCCC(=O)NCC1CC(N[C@H](C)C(=O)N(C)C)C1 1100322394 IERWJVSLLBWORS-IYXRBSQSSA-N 309.410 -0.013 30 20 DBED CC[C@H](CNC(=O)[C@@H]1CCC(=O)N1)Nc1cncc(C#N)n1 1103143730 HXRNOJXSKUSWFP-KOLCDFICSA-N 302.338 -0.066 30 20 DBED C[C@H](CNc1ccc(C#N)nn1)N(C)C(=O)CN1CCOCC1 1104527756 OMBUVDLZCGNQHX-GFCCVEGCSA-N 318.381 -0.061 30 20 DBED COCC#CCNCc1cn(C2CN(C(=O)CSC)C2)nn1 1105144634 HWHDNDKYESPGJB-UHFFFAOYSA-N 323.422 -0.236 30 20 DBED C#CCNCc1cn(C2CN(C(=O)c3ccnc(C)n3)C2)nn1 1105374080 GUVZDUCMLGAOIF-UHFFFAOYSA-N 311.349 -0.204 30 20 DBED CN(CCN(C)c1cnc(C#N)cn1)C(=O)C1(C(N)=O)CC1 1105543372 XZVNEJWONWZIHP-UHFFFAOYSA-N 302.338 -0.492 30 20 DBED N#Cc1cccnc1NC[C@@H](O)CNC(=O)CCc1nc[nH]n1 1105783102 URCOBSUUNYWPEV-NSHDSACASA-N 315.337 -0.407 30 20 DBED Cc1cc(C(=O)N2C[C@@H](C)[C@H](CNCC(=O)NCC#N)C2)on1 1105815581 RUOSDXVJHJHTIE-ZYHUDNBSSA-N 319.365 -0.080 30 20 DBED COC(=O)c1cnc(NC[C@@H](O)CNC(=O)C#CC2CC2)nc1 1105825407 DWOCVBFXJHUXKP-LBPRGKRZSA-N 318.333 -0.434 30 20 DBED C[C@@H]1CN(C(=O)[C@@H]2CCCCO2)C[C@H]1CNCC(=O)NCC#N 1106012868 VGSYTLMPUXWCMI-MCIONIFRSA-N 322.409 -0.121 30 20 DBED CO[C@@H](C(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1)C(C)C 1106093105 UVUJHEGZQPWCIN-GXFFZTMASA-N 307.354 -0.670 30 20 DBED Cc1nc(C)c(C(=O)NC[C@@H](O)CNc2cncc(C#N)n2)[nH]1 1106109948 BHPMGHQFJFDSMK-NSHDSACASA-N 315.337 -0.109 30 20 DBED CCNC(=O)CN1CC(n2cc(CNC(=O)[C@H](C)C#N)nn2)C1 1107147134 UQVRWFBKNZTIDR-SNVBAGLBSA-N 319.369 -0.953 30 20 DBED CO[C@@H](C)CN1CC(n2cc(CNC(=O)[C@@H](C)C#N)nn2)C1 1107149496 HEHKPBKNCBOWPP-QWRGUYRKSA-N 306.370 -0.054 30 20 DBED C=CCOCC(=O)NC[C@@]1(C)CN([C@H]2CCNC2=O)CCO1 1107811306 KTWBYNXGFRBUSD-WFASDCNBSA-N 311.382 -0.715 30 20 DBED C#CCCCC(=O)NC[C@@]1(C)CN([C@H]2CCNC2=O)CCO1 1107901280 MJPBFAOTUZJZDY-BBRMVZONSA-N 307.394 -0.115 30 20 DBED C[C@@]1(CNC(=O)[C@@H]2CCc3nn[nH]c3C2)CN(CC#N)CCO1 1108341357 YAHHEZJYTNABNC-IAQYHMDHSA-N 318.381 -0.360 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)[C@H]2CCN(C(C)=O)C2)C1 1108369101 JVQCRGNVXWOILP-HOCLYGCPSA-N 307.394 -0.305 30 20 DBED C=CCCCCCN1CC(N2C[C@@H](NC(=O)C(N)=O)CC2=O)C1 1108566512 KYQPRHORBSPLJW-LBPRGKRZSA-N 322.409 -0.381 30 20 DBED CC#CCN1CC(N2C[C@H](NC(=O)CN(C)C(C)C)CC2=O)C1 1108591713 COPHRBIVORLCDZ-CQSZACIVSA-N 320.437 -0.249 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)COCCC=C)CC2=O)C1 1108593679 BKLAWERTPDNCBH-ZDUSSCGKSA-N 305.378 -0.386 30 20 DBED C[C@@H](CN(C)c1cncc(C#N)n1)NC(=O)[C@H]1COCCO1 1108872487 FVZFTZUUEQEBQQ-CMPLNLGQSA-N 305.338 -0.295 30 20 DBED CCNC(=O)CC(=O)N[C@H](C)CN(C)c1cncc(C#N)n1 1108945855 YEARSQVNSAHIAN-SNVBAGLBSA-N 304.354 -0.185 30 20 DBED C[C@@]1(NC(=O)CCNC(N)=O)CCN(c2nccnc2C#N)C1 1110760439 MCWNAFMSWXIFFA-CQSZACIVSA-N 317.353 -0.508 30 20 DBED CCOCC(=O)N[C@@]1(CO)CCCN(c2nccnc2C#N)C1 1111327092 XFCGJWBEJAUCOX-HNNXBMFYSA-N 319.365 -0.168 30 20 DBED C[C@H](CC(N)=O)C(=O)N(CCO)CCN=c1cc[nH]cc1C#N 1111535186 NBXNCTQCFKNZRW-LLVKDONJSA-N 319.365 -0.881 30 20 DBED C=CCOCCN1C[C@@H]2CCC[C@]2(NC(=O)Cn2ncnn2)C1 1111751327 QHDRCKAAQVTYGM-ZFWWWQNUSA-N 320.397 -0.154 30 20 DBED C[C@H]1CN(c2ccc(C#N)nn2)CC[C@H]1NC(=O)CC(N)=O 1112394423 AJZSNTWXOQWOBE-GXSJLCMTSA-N 302.338 -0.445 30 20 DBED N#CCNC[C@]12CCC[C@H]1CN(C(=O)c1nnc(O)nc1O)C2 1112449721 VFYROSZMEMRTCH-XPTSAGLGSA-N 318.337 -0.362 30 20 DBED COCCC(=O)NC1(CO)CCN(c2ccnc(C#N)n2)CC1 1112645794 XUYNYKHMBQRNMF-UHFFFAOYSA-N 319.365 -0.168 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)CCc2nc[nH]n2)CC1 1112757264 KEIDOGQUZMUQCZ-GFCCVEGCSA-N 320.397 -0.428 30 20 DBED C#CCOCCC(=O)N1CCN([C@@H](C)c2nnnn2C)CC1 1112844123 XITCQVKAIQRDHJ-LBPRGKRZSA-N 306.370 -0.545 30 20 DBED C[C@@H](NC(=O)Cn1nccn1)[C@@H](C)Nc1ccc(C#N)nn1 1113173692 RKGRQIIBRJJQJW-NXEZZACHSA-N 300.326 -0.055 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCC(=O)N2C)CC1 1113592289 GIIYCCFSMYWUPG-ZDUSSCGKSA-N 322.409 -0.556 30 20 DBED CCNC(=O)CN1C[C@H]2C(NC(=O)c3ccc(C#N)[nH]3)[C@@H]2C1 1114143437 OKBPWHJIXAGJOU-GHMZBOCLSA-N 301.350 -0.318 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H]1[C@@H]2CN(CC(=O)N(C)CC)C[C@@H]21 1114271669 ZGPAZVBMRXYVSE-RMRHIDDWSA-N 307.394 -0.451 30 20 DBED C=CCNC(=O)NC(=O)CN1C[C@H]2C(NC(=O)C3(C)CC3)[C@@H]2C1 1114306307 KMKZTSNHXRAELG-GHMZBOCLSA-N 320.393 -0.155 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)[C@H](C)OCC=C)[C@@H]2C1 1115332872 QSKWAPJYEYLJBM-YNEHKIRRSA-N 307.394 -0.074 30 20 DBED CC(=O)NCCCOC(=O)CCN/C(O)=C1/N=CC=CC1=O 1116120713 YSLNYFJFBGWRDJ-YPKPFQOOSA-N 309.322 -0.028 30 20 DBED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(F)c(C(N)=O)c1 1116495818 GPCPACTXSFEZIW-UHFFFAOYSA-N 322.296 -0.719 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N1CC[C@H](n2cncn2)C1 1116663370 WGZOBUCSUMPZSC-NSHDSACASA-N 313.383 -0.165 30 20 DBED C[C@H](O)[C@@H]1CCN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1 1118949827 BVLOMULBSXCPGO-SCRDCRAPSA-N 320.393 -0.586 30 20 DBED C#CCOCCn1nnnc1N1CCC(C2OCCO2)CC1 1120252549 PWGQEVAPJKOSCI-UHFFFAOYSA-N 307.354 -0.088 30 20 DBED Cc1cc(CC(=O)NC[C@H](CO)Nc2cncc(C#N)n2)n[nH]1 1121287850 JFILOHHRSGLEFX-GFCCVEGCSA-N 315.337 -0.489 30 20 DBED Cc1cc(N[C@@H](CO)CNC(=O)C#CC2CC2)nc(CO)n1 1121439320 HTJMYQOCXYIERY-GFCCVEGCSA-N 304.350 -0.420 30 20 DBED COCc1cc(N[C@H](CO)CNC(=O)C#CC2CC2)ncn1 1121440000 ZIPSZMZAZYJYCD-ZDUSSCGKSA-N 304.350 -0.075 30 20 DBED CCOCCOCC(=O)NC[C@H](CO)Nc1ccc(C#N)nc1 1121676773 LHGQZDFAFNNLGK-CQSZACIVSA-N 322.365 -0.105 30 20 DBED C[C@@H]1[C@@H](Nc2cncc(C#N)n2)CCN1C(=O)CNC(N)=O 1122928719 ACXSIORAMOMMKC-SCZZXKLOSA-N 303.326 -0.582 30 20 DBED C#CCOCCN(C)C(=O)c1cnc2c(c1)c(O)nc(=O)n2C 1124051068 BDGUSAYDXNTKNI-UHFFFAOYSA-N 316.317 -0.244 30 20 DBED CN(C[C@@H](O)CNc1ccc(C#N)cn1)C(=O)c1cnn(C)n1 1124414322 FCRGITFOMOETSE-NSHDSACASA-N 315.337 -0.373 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)c1cnco1 1124621546 IFNOVNMDHWCRBU-VIFPVBQESA-N 302.294 -0.697 30 20 DBED C=CCOCC(=O)NCCNCC[C@@H]1CCS(=O)(=O)C1 1124765208 OMVNOZWOJQCMRO-GFCCVEGCSA-N 304.412 -0.280 30 20 DBED C#CCNC(=O)CC(=O)NCCNCc1nn(C)cc1Cl 1125998132 KWSSQWUSYLXDSE-UHFFFAOYSA-N 311.773 -0.581 30 20 DBED COCCN(CCNC(=O)[C@@H]1CCOC1)c1cnc(C#N)cn1 1126247620 ZBAAEJURBMUSFC-GFCCVEGCSA-N 319.365 -0.046 30 20 DBED CC(C)C#CC(=O)NCCNCC(=O)N1CCOC[C@@H]1C1CC1 1126815889 OUUSSUBUUYIZNR-OAHLLOKOSA-N 321.421 -0.011 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)c1cc[nH]c1 1127922772 ZVGGXAVTTVBIAG-JTQLQIEISA-N 307.354 -0.266 30 20 DBED CCCOCC(=O)NCc1nc([C@@H]2COCCN2CC#N)n[nH]1 1130835445 MTSOMOFIYBSIHZ-NSHDSACASA-N 322.369 -0.256 30 20 DBED COCC#CCN1C[C@H](NC(=O)c2nnn(C)n2)CC[C@H]1C 1132224805 QPTUSEZSBBPEOU-VXGBXAGGSA-N 306.370 -0.557 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)CCCC(N)=O)CC[C@@H]1C 1132537071 MCCZDJSHURLUPL-STQMWFEESA-N 324.425 -0.087 30 20 DBED C#CCNC[C@H]1CN(C(=O)CN2C(=O)CNC2=O)CC[C@H]1C 1133305835 GMJVREBPYSMFEL-NEPJUHHUSA-N 306.366 -0.754 30 20 DBED COCc1cc(C(=O)NCCNCC(=O)NCC#N)ccc1F 1133617885 BARMEUCQONBOMQ-UHFFFAOYSA-N 322.340 -0.069 30 20 DBED CC#CCN[C@H](C)C[C@H](C)NC(=O)CNS(=O)(=O)CC 1134505429 QCTYVOUYUXBLQA-NEPJUHHUSA-N 303.428 -0.178 30 20 DBED C[C@@H](C[C@@H](C)NCC(=O)NCC#N)NC(=O)CCc1cnn[nH]1 1135496985 OTNGKTJKZPTPGX-MNOVXSKESA-N 321.385 -0.750 30 20 DBED C=CCNC(=O)CNCCNC(=O)CCCn1nc(C)nc1C 1147278189 UYXLQUZAYNSZRJ-UHFFFAOYSA-N 322.413 -0.317 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1cc2c(s1)CCOC2 1148274454 OZXYRINEKDTMRE-UHFFFAOYSA-N 322.390 -0.220 30 20 DBED C#Cc1ccc(C(=O)NCCNCC(=O)N2CCOCC2)nc1 1148369934 AGTJCINMQXVXIA-UHFFFAOYSA-N 316.361 -0.759 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)CN1CCCC1 1151101921 ZPNSPTVUVHZXAM-UHFFFAOYSA-N 308.426 -0.011 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)C1(C(=O)NC)CC1 1155806612 DHZOTIUVGXTCFV-GFCCVEGCSA-N 322.409 -0.911 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)c2nccnc2N)C1=O 1155946467 NWBDDVHZVAFAMV-NSHDSACASA-N 318.381 -0.445 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)COCCN(C)C 1171218604 QEHSUNAPQDSDDI-ZDUSSCGKSA-N 314.430 -0.649 30 20 DBED N#CCNC(=O)CN1CCO[C@@H]2CCN(C(=O)C3CC3)C[C@H]21 1176870665 HEPLIIXCNCRJLA-CHWSQXEVSA-N 306.366 -0.662 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)CCCC(=O)NC)C[C@@H]21 1176994111 JZQKVNJKAMKYJT-UONOGXRCSA-N 307.394 -0.162 30 20 DBED Cn1cnn(CC(=O)N2C[C@H]3CC[C@H]2[C@@H](CNCC#N)C3)c1=O 1177814653 MFSPBRLLYLVJTP-XQQFMLRXSA-N 318.381 -0.678 30 20 DBED COCC#CCN[C@H]1CCN(C(=O)c2nccnc2N)[C@H]1C 1178378871 IMWMCXTXIMAPMK-RYUDHWBXSA-N 303.366 -0.099 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](NCC(=O)NC(C)C)[C@@H]1C 1178508749 RULHLNAEGQEXIS-STQMWFEESA-N 322.409 -0.771 30 20 DBED C=C(C)CN[C@H]1CCN(C(=O)CNC(=O)CNC(C)=O)[C@H]1C 1179009221 CXGWUWKIPLYPFN-AAEUAGOBSA-N 310.398 -0.606 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H](C)n2cccn2)C1 1181096721 BMFCWLXNMNUUQC-QWHCGFSZSA-N 303.366 -0.616 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2cnn(C)c2C)C1 1188861446 DAZPEITZTNECGF-ZDUSSCGKSA-N 317.393 -0.376 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)c2ccc(O)nn2)C1 1190787237 YZEYQSZEOXXMEW-VXGBXAGGSA-N 308.338 -0.840 30 20 DBED CCn1nc(C)c(CN2C[C@@H](O)[C@H](NC(=O)[C@H](C)C#N)C2)n1 1191872278 HWMJSCVODFDGEX-OASPWFOLSA-N 306.370 -0.573 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 1195981287 SQDIVWFPUQVGOM-RBSFLKMASA-N 311.426 -0.616 30 20 DBED C=CCOCC(=O)N1CCCO[C@@H](CNCCOCCO)C1 1200109185 PWGARBRIFOEASX-AWEZNQCLSA-N 316.398 -0.595 30 20 DBED CC#CCNC[C@H]1CN(C(=O)c2cnc(O)n2C)CCCO1 1201146395 FYIPQGFQHXBSMS-LBPRGKRZSA-N 306.366 -0.030 30 20 DBED Cn1cc(OCC(=O)N2CCCO[C@@H](CNCC#N)C2)cn1 1201251883 GBFBYBUCWVOMCU-LBPRGKRZSA-N 307.354 -0.470 30 20 DBED C#CCCNC[C@H]1CN(C(=O)[C@@]2(C)CCNC2=O)CCCO1 1201396135 SSMOAQSQHNKLCV-BBRMVZONSA-N 307.394 -0.257 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)[C@H]2CCN(C)C2=O)CC1 1202067966 KNBLQCVPKGGWKL-ZDUSSCGKSA-N 322.409 -0.653 30 20 DBED C[C@H](CN1CCOCC1)C(=O)N1CCCO[C@H](CNCC#N)C1 1202068479 JYAOWFXAXLRHPM-HUUCEWRRSA-N 324.425 -0.315 30 20 DBED C=CCNC[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)N2)CCCO1 1202078391 FMXUUKZVTWZZLK-NEPJUHHUSA-N 317.411 -0.929 30 20 DBED C#CCNC1CCN(C(=O)[C@@H](NS(C)(=O)=O)C(C)C)CC1 1202833068 JXUXFSJMWSHCKW-ZDUSSCGKSA-N 315.439 -0.226 30 20 DBED C=CCNC(=O)CNCC1CCN(C(=O)[C@H]2CCC(=O)N2)CC1 1204787467 WSSCHWHEMOBZSE-CYBMUJFWSA-N 322.409 -0.605 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCCN(C(=O)CNC(=O)CC)C1 1207701547 MLTHTAVQRSHBCR-QWHCGFSZSA-N 322.409 -0.769 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)c2nccn2CC)C1 1207922330 XPQUJYPMOHASRM-ZDUSSCGKSA-N 317.393 -0.153 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@@H](C)NC(=O)CC)C1 1208121310 NEEJCKSTQYVFQE-CHWSQXEVSA-N 324.425 -0.216 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)Cn2ccc(C)n2)C1 1209688235 BSVKVGXZRJZUSD-AWEZNQCLSA-N 317.393 -0.478 30 20 DBED CCCNC(=O)CN1C[C@@H](NC(=O)C#CC2CC2)[C@H](OC)C1 1212245996 JISRFWONNZANRU-ZIAGYGMSSA-N 307.394 -0.259 30 20 DBED C#CCCN1C[C@@H](NC(=O)CNC(=O)N2CCCC2)[C@H](OC)C1 1212264346 GVKWFQRPUTYJKT-ZIAGYGMSSA-N 322.409 -0.370 30 20 DBED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)c1ccns1 1212344809 NLNUQNRKQHWZDC-NXEZZACHSA-N 323.378 -0.788 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)C2(COC)CCC2)C[C@H]1C 1215168772 BPCWOABATVRZST-ZIAGYGMSSA-N 321.421 -0.011 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)/C=C(\C)C2CC2)C1 1219279735 YPUJGLRTMDEGCE-GIYFRTQOSA-N 307.394 -0.194 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2ccc(Cl)[nH]2)C1 1220300765 XYLSYQDTMOBRBB-MNOVXSKESA-N 324.768 -0.808 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1CN(CCF)C[C@@H]1O 1220492928 CPTQKGUABPZVKF-UPJWGTAASA-N 301.362 -0.412 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)CCC2(C)CC2)C1 1220675933 DTBJSGZFCXYZDO-MJBXVCDLSA-N 321.421 -0.134 30 20 DBED C=CCCCN1C[C@H](O)[C@H](NC(=O)CS(=O)(=O)CC)C1 1221081219 GPJPSGDLHXHYBC-NEPJUHHUSA-N 304.412 -0.451 30 20 DBED CN1CCC[C@@H]1C(=O)N1C[C@H]2CCN(CC(=O)NCC#N)C[C@H]21 1221446789 VBKBVFUCTDSQLM-MGPQQGTHSA-N 319.409 -0.747 30 20 DBED C=CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3cn(C)nn3)[C@@H]2C1 1221522750 LQIXHBKSVTWTSA-DGCLKSJQSA-N 318.381 -0.736 30 20 DBED C#CCN1CCC(CNC(=O)[C@H](CCC)S(N)(=O)=O)CC1 1223944710 GKEWURLJFKGIQR-ZDUSSCGKSA-N 315.439 -0.095 30 20 DBED C[C@@H](C#N)C(=O)NC1CCN(CC(=O)N2CCOCC2)CC1 1226624601 ALBCRAKGXZHGQO-LBPRGKRZSA-N 308.382 -0.415 30 20 DBED C=C[C@](C)(O)CC(=O)NC1CCN(Cc2nc(=O)n(C)[nH]2)CC1 1227115908 YFSMXLKEPBUANP-HNNXBMFYSA-N 323.397 -0.484 30 20 DBED C=CCNC(=O)[C@H](C)N1CCC(NC(=O)C(C)(C)C(N)=O)CC1 1227890349 GRKWVSUXELXCFS-NSHDSACASA-N 324.425 -0.231 30 20 DBED C#CCCN1CCS(=O)(=O)[C@@H](CCNC(=O)CCOC)C1 1230405408 ZWUIOSXNPIMKHM-ZDUSSCGKSA-N 316.423 -0.349 30 20 DBED C=CCNC(=O)CN1CC[C@H]1CN(C)C(=O)CNC(=O)OC 1230916097 LDCRUZDJSPXKSE-NSHDSACASA-N 312.370 -0.823 30 20 DBED C#CCNC(=O)[C@H](C)N(C)CCCNC(=O)CSCC#N 1234161672 GXUHSGQPIVXEEJ-LBPRGKRZSA-N 310.423 -0.181 30 20 DBED C=CCOCC(=O)NCCCN(C)CC(=O)N1CCOCC1 1235699370 UVNVLCSJWSBJHQ-UHFFFAOYSA-N 313.398 -0.514 30 20 DBED Cc1cc(NC(=O)CN2C(=O)C(=O)N(C)C2=O)n(CCC#N)n1 1318500312 XWZFCWQCRCHFBQ-UHFFFAOYSA-N 318.293 -0.536 30 20 DBED Cn1cnc(NC(=O)C(=O)NCCNc2ncccc2C#N)n1 1324287262 UFXCDCYTJISJGN-UHFFFAOYSA-N 314.309 -0.751 30 20 DBED C[C@H](O)C[C@@H]1COCCN1C(=O)C(=O)N1CC[C@@](F)(C#N)C1 1325161933 IDCGNQWQDMEZHX-MISXGVKJSA-N 313.329 -0.551 30 20 DBED N#CCN1CCC(NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 1325840158 JGJYPYOASUYQNJ-ZDUSSCGKSA-N 308.342 -0.270 30 20 DBED Cc1cnc(CCNC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)cn1 1326129970 WKHXQOYZBOPCOJ-HNNXBMFYSA-N 317.349 -0.679 30 20 DBED CN(CCN1CCCCC1)C(=O)C(=O)N1CCO[C@@H](C#N)C1 1327342100 TXDXHYIBSCRJQT-ZDUSSCGKSA-N 308.382 -0.318 30 20 DBED C=CCO[C@H]1CCN(S(=O)(=O)c2cnn(CC(=O)O)c2)C1 1329272999 MVUUOKPQKZGBKX-JTQLQIEISA-N 315.351 -0.067 30 20 DBED CCn1nnc(C)c1C=NN1C(=O)[C@@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C1=O 1329671954 IQNJECVJEXOUSD-KKOKHZNYSA-N 301.306 -0.121 30 20 DBED C=CCOCCNC(=O)C(=O)N1CCC(NC(=O)NC)CC1 1330440510 FGPQODLPMAEEHD-UHFFFAOYSA-N 312.370 -0.775 30 20 DBED C[C@@H]1CC[C@H](CNC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)O1 1331040311 FBIMPWXOCGITAB-MRVWCRGKSA-N 320.393 -0.131 30 20 DBED COCCN(CCN(C)C)C(=O)C(=O)N1CCC[C@H](C#N)C1 1335507525 VYURIUXKVDGRRO-CYBMUJFWSA-N 310.398 -0.215 30 20 DBED C#CCNC(=O)C1CCN(C(=O)[C@H](C)CS(C)(=O)=O)CC1 1340048542 BTOBJUIEIGXUTK-LLVKDONJSA-N 314.407 -0.345 30 20 DBED C=CCn1c([C@@H](O)COC)nnc1N1CC[C@H](NC(C)=O)C1 1340658100 GWXRZLLMQXPNRO-RYUDHWBXSA-N 309.370 -0.141 30 20 DBED C=CCn1c([C@H](C)CO)nnc1N(C)CC(=O)N1CCOCC1 1342297087 APURKIJQXHSVCV-GFCCVEGCSA-N 323.397 -0.145 30 20 DBED C#C[C@H](CCC)NC(=O)C(=O)Nc1ncn(CC(=O)OCC)n1 1345677295 AFEKTSQHSNPVQO-SNVBAGLBSA-N 321.337 -0.302 30 20 DBED C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)OCC(=O)NC1(C#N)CCC1 1346189529 IJEPYDGCBXQPJH-JOYOIKCWSA-N 323.349 -0.632 30 20 DBED C#CCSCCNC(=O)C(=O)N1CCC[C@H](CC(N)=O)C1 1346609366 AEIWDKNEBPLKLE-LLVKDONJSA-N 311.407 -0.417 30 20 DBED C=C(C)CN(C)c1nnnn1CC1CN(S(C)(=O)=O)C1 1352592469 QRRCZHBQQVKKEX-UHFFFAOYSA-N 300.388 -0.423 30 20 DBED COC(=O)CN(C)CCNC(=O)c1cccc(C#CCO)c1 1353896235 BAFJSCPSFWROTM-UHFFFAOYSA-N 304.346 -0.135 30 20 DBED CN(C)[C@H]1CCCC[C@@H]1NC(=O)Cn1cc(C#N)c(O)nc1=O 1361766944 YUZFECVCWUBHHD-RYUDHWBXSA-N 319.365 -0.190 30 20 DBED CO[C@H]1CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)[C@H](C)C1 1362436000 SZVLSVDSWXGWCF-KOLCDFICSA-N 306.322 -0.154 30 20 DBED Cn1ccnc1[C@@H]1C[C@H](NC(=O)Cn2cnc(C#N)n2)CCO1 1362535869 JYGVFTFSDIGNKA-MNOVXSKESA-N 315.337 -0.080 30 20 DBED CCOC(=O)CC1(NS(=O)(=O)N(CC)CCC#N)COC1 1365748284 XKCBHZJGKITHTR-UHFFFAOYSA-N 319.383 -0.221 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)COc2ccsc2)C1 1371536474 YAXVAGDEYPUBOK-WCQGTBRESA-N 323.374 -0.026 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1C)NC(=O)c1ccc(C#N)[nH]1 1373025631 GOZLQIUCTZRETR-CABZTGNLSA-N 317.349 -0.258 30 20 DBED Cn1cccc1C(=O)NC[C@H](O)CNC(=O)c1cc(C#N)c[nH]1 1376496697 DSKMWDBHGYVKRJ-LLVKDONJSA-N 315.333 -0.254 30 20 DBED C[C@@H](CNC(=O)c1ccc(C#N)[nH]1)NC(=O)Cn1cncn1 1386222721 AQTGHJRHYGODPT-VIFPVBQESA-N 301.310 -0.587 30 20 DBED C[C@H](CC(N)=O)C(=O)NC1CN(C(=O)c2ccc(C#N)[nH]2)C1 1389346465 YTSNSNRFYVOMDV-MRVPVSSYSA-N 303.322 -0.662 30 20 DBED COCCC(=O)NC[C@@H](O)CN(C)C(=O)c1cc(C#N)c[nH]1 1395997521 MHKYKTQUWADRMI-LLVKDONJSA-N 308.338 -0.528 30 20 DBED C[C@H](C#N)C(=O)N1CCC(N(CCO)Cc2cnn(C)n2)CC1 1397281472 FRDNGVNJMINUNP-GFCCVEGCSA-N 320.397 -0.240 30 20 DBED COc1ncnc(OC)c1C(=O)N[C@@H](C)CNC(=O)[C@H](C)C#N 1397586787 PAHIBHOOSBMURJ-BDAKNGLRSA-N 321.337 -0.112 30 20 DBED CS(=O)(=O)CCC(=O)NC1CN(C(=O)c2ccc(C#N)[nH]2)C1 1398647322 RVYJIVMLYXJWDM-UHFFFAOYSA-N 324.362 -0.738 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@@H]1CCN(C(=O)CNC(=O)C2CC2)C1 1407203104 OKTRJNDXSWOZPQ-ZYHUDNBSSA-N 306.366 -0.268 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C)C(=O)[C@@H](NC(N)=O)C(C)(C)C 1408673737 GAVRLRSSHIVWFT-VHSXEESVSA-N 311.386 -0.196 30 20 DBED CC(=O)N1CC(C(=O)NC[C@H](NC(=O)[C@@H](C)C#N)C(C)C)C1 1409863794 JAVAGRXRWLZMFC-GWCFXTLKSA-N 308.382 -0.119 30 20 DBED C[C@H](C#N)C(=O)NCCN(C)C(=O)c1cnc2c(c1)nnn2C 1415598699 OGJIXAAFDQZEOG-SECBINFHSA-N 315.337 -0.289 30 20 DBED C[C@@H](C#N)C(=O)NC1CN(C(=O)[C@H]2CCn3ccnc3C2)C1 1416045254 DUYIKAVZLNIHJT-QWRGUYRKSA-N 301.350 -0.068 30 20 DBED COC(=O)C1(NC(=O)Cn2cc(C#N)c(O)nc2=O)CCCC1 1417616561 PNYLKOCONYMMAI-UHFFFAOYSA-N 320.305 -0.577 30 20 DBED C[C@@H](C#N)C(=O)NC1CN(C(=O)[C@H]2CCc3nnc(O)n3C2)C1 1430286484 BUOOHHVDQSMXQM-IUCAKERBSA-N 318.337 -0.967 30 20 DBED C[C@@H](C#N)C(=O)N1CC(CNC(=O)C[C@@H]2CCCC(=O)N2)C1 1432462391 NVKLDTCYBPEEIA-JQWIXIFHSA-N 306.366 -0.221 30 20 DBED CS(=O)(=O)c1cccnc1C(=O)N1CC[C@@](O)(CC#N)C1 1434123920 MXPIBYOTIUNOKU-ZDUSSCGKSA-N 309.347 -0.024 30 20 DBED N#C[C@H]1CSCCN1C(=O)c1cn(C[C@@H]2CNC(=O)O2)nn1 1435720697 XZUMSONZBUJWIY-IUCAKERBSA-N 322.350 -0.532 30 20 DBED C[C@H](NCC1(O)CCN(C(=O)[C@H](C)C#N)CC1)C(=O)N(C)C 1440628216 NNDZXMBFPVTXMI-NEPJUHHUSA-N 310.398 -0.434 30 20 DBED CN1CCC[C@H](N(C)C(=O)Cn2cc(C#N)c(O)nc2=O)C1 1445034080 RQMLPORVLPLXAX-NSHDSACASA-N 305.338 -0.627 30 20 DBED C=C(Cl)CNC[C@@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 1491839496 WYCGTEYESDJNON-UWVGGRQHSA-N 314.773 -0.225 30 20 DBED CCCN(CCNC(=O)[C@@H](C)C#N)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 1497332002 AYZYDHHNQXOJPL-SDDRHHMPSA-N 324.381 -0.466 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC[C@@H]1CNCCS(C)(=O)=O 1499892539 VYXXRNZPFHQXEC-CHWSQXEVSA-N 316.423 -0.350 30 20 DBED CC(=O)N(C)CC(=O)N(C)C[C@@H](C)NC(=O)c1cc(C#N)c[nH]1 1510461230 ZSAPQCVAUHZGDD-SNVBAGLBSA-N 319.365 -0.059 30 20 DBED C#CCN1CCN(c2nnc(C3=NO[C@@H](CO)C3)n2CC)CC1 1520900202 CGCWWYUWSDMYNL-GFCCVEGCSA-N 318.381 -0.462 30 20 DBED COC(=O)[C@@H]1CN(C(=O)c2ccc(C#N)n2C)C[C@H]1C(=O)O 1571085272 YKQBYKFJDOAINK-NXEZZACHSA-N 305.290 -0.157 30 20 DBED C#CCCCC(=O)N[C@H](C)CN[C@@H](C)C(=O)NCc1cnn[nH]1 1574867130 PTAGQTRYTAPCIW-NEPJUHHUSA-N 320.397 -0.293 30 20 DBED C[C@H]1CN(c2cnc(-c3nn[nH]n3)c(C#N)n2)C[C@@H](C)[S@]1=O 1576366803 VJILWYLWLTWACP-KIAZABQESA-N 318.366 -0.126 30 20 DBED N#CCN1CC[C@@H](NC(=O)CCCCCc2cnn[nH]2)[C@@H](O)C1 1577706259 ADRCWNOTNOQEJT-KGLIPLIRSA-N 320.397 -0.017 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)[C@@H]3C[C@@H]3C(=O)O)C2)cn1 1588510901 OCQZCLHHLKPKSY-OLZOCXBDSA-N 313.313 -0.276 30 20 DBED C[C@@H](CNC(=O)[C@H](C)C#N)N=c1cc[nH]c(-c2nn[nH]n2)n1 1589849755 LRHVABWQLXOIBN-SFYZADRCSA-N 301.314 -0.845 30 20 DBED CC(C)[C@H](NC(=O)CCn1cc(C#N)c(O)nc1=O)C(=O)O 1591001465 FGRXPRSANCGLOL-JTQLQIEISA-N 308.294 -0.564 30 20 DBED O=C(C#CC1CC1)N[C@H]1CCN(c2cnc(-c3nn[nH]n3)cn2)C1 1592767536 CJYDQWFJTZTHNT-NSHDSACASA-N 324.348 -0.235 30 20 DBED N#Cc1cn(CCO)c(=O)n(Cc2cccc(C(=O)O)c2)c1=O 1594632772 BDOFRNIGVUXDHQ-UHFFFAOYSA-N 315.285 -0.380 30 20 DBED N#CCOc1ccc(NC(=O)C(=O)NC[C@@H](O)CC(=O)O)cc1 1601074315 RUINNIHSFAFNOK-JTQLQIEISA-N 321.289 -0.521 30 20 DBED C#CCN1CCC[C@H](NS(=O)(=O)CC2(C(=O)O)CC2)C1 1602720519 WQUAJJDBXPGJMW-NSHDSACASA-N 300.380 -0.132 30 20 DBED N#CCSCC(=O)NCC1(NC(=O)[C@@H]2C[C@H]2C(=O)O)CC1 1608186716 FHGRJWNEHDEIOM-RKDXNWHRSA-N 311.363 -0.271 30 20 DBED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C 1649788115 CCUCKBMZFBHQQZ-KCJUWKMLSA-N 316.362 -0.133 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)CCCC(=O)NC)C1 1690223982 VBEGCGOHJNXROY-STQMWFEESA-N 322.409 -0.769 30 20 DBED C=CCOCCN[C@H](C)CNC(=O)c1cn(C)c(=O)nc1O 1752917846 ULEULGUAACOYSP-SNVBAGLBSA-N 310.354 -0.604 30 20 DBED CC#CCN1CC[C@@H](CNC(=O)CCn2ncn(C)c2=O)C1 1753130959 JVRMKPTVFKWFPY-ZDUSSCGKSA-N 305.382 -0.567 30 20 DBED C=CCNC(=O)[C@H](C)N1CC(NC(=O)Cc2nnc(C)o2)C1 1753376327 NMZXIWLSPAYTKU-VIFPVBQESA-N 307.354 -0.588 30 20 DBED COCC#CCN1CC(NC(=O)[C@H]2CCC[C@@H](C(N)=O)C2)C1 1753389759 POQOUZPBYCLMQO-OLZOCXBDSA-N 307.394 -0.272 30 20 DBED C#CCNC(=O)CN(C)CCN(C)C(=O)CCc1cncnc1 1753858276 UKYYVWSFPQFTMO-UHFFFAOYSA-N 317.393 -0.451 30 20 DBED N#CCNC(=O)CNC[C@H]1CCC[C@@H]1NC(=O)C1CCOCC1 1753878858 XKRKCWCMFULVMX-KGLIPLIRSA-N 322.409 -0.073 30 20 DBED CCN1C[C@@H](C(=O)N[C@@H](C)CCNCC#CCOC)CC1=O 1753981755 FPRCIUYZCUJLCN-KBPBESRZSA-N 309.410 -0.011 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)C[C@@H](C)NC(=O)c1c(C)ncn1C 1754315983 LOBADKMCCHOZSO-DGCLKSJQSA-N 319.409 -0.083 30 20 DBED C#CCNC(=O)CN1C[C@H]2C[C@H]1[C@H]2NC(=O)Cc1cncs1 1754424923 IHHRIPIQBJGDPW-GMXABZIVSA-N 318.402 -0.376 30 20 DBED C=CCOCCN1CC[C@@](O)(CNC(=O)c2ncn(C)n2)C1 1754748422 IMJFSEJSUZLBKG-CQSZACIVSA-N 309.370 -0.816 30 20 DBED N#CCNC1CCN(CCNC(=O)[C@@H]2CC[C@@H]2C(N)=O)CC1 1754849499 VAYLYWVDJXUBFB-QWHCGFSZSA-N 307.398 -0.808 30 20 DBED C=CCNC1CCN(CCNC(=O)c2c[nH]c(=O)cn2)CC1 1754850603 OFJAJDVRDCYFMX-UHFFFAOYSA-N 305.382 -0.260 30 20 DBED C#CCN1C[C@@H](NC(=O)CCS(=O)(=O)N(C)C)C(C)(C)C1 1755414827 BQBHPEPTPTWJMW-GFCCVEGCSA-N 315.439 -0.272 30 20 DBED C#CCNC(=O)CC(=O)N(C)[C@@H](C)CNC(=O)c1nocc1C 1756068961 YBSHDRFSWXGBGK-NSHDSACASA-N 320.349 -0.301 30 20 DBED C=CCOCC(=O)N[C@H]1C[C@H](CNC(=O)c2ncn(C)n2)C1 1756245748 AJOSQMWNBWXRJA-XYPYZODXSA-N 307.354 -0.358 30 20 DBED CCc1nnsc1C(=O)NC[C@H](CO)NC(=O)C#CC1CC1 1756531639 CLHHPGPXCUEXEK-SNVBAGLBSA-N 322.390 -0.279 30 20 DBED CCn1ccnc1C(=O)N(C)C[C@H](O)CNC(=O)C#CC1CC1 1756660954 PERNRHCLUNFBNE-CYBMUJFWSA-N 318.377 -0.135 30 20 DBED C=CCCC(=O)N[C@H]1CCN(C(=O)c2ccc(O)nn2)C[C@H]1O 1757563782 XNOUGAPAJFLRJA-CMPLNLGQSA-N 320.349 -0.160 30 20 DBED C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)n3cncn3)C2)C1 1784478385 CAHPMAPGPHBNQX-SWLSCSKDSA-N 317.349 -0.698 30 20 DBED CC(=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)S)C[C@@H]21 1786349382 RARSFYGTGYMFAF-RHYQMDGZSA-N 314.407 -0.127 30 20 DBED N#CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCOC3)[C@H]2C1 1791752253 FIWKSWKWGYFPDG-CRWXNKLISA-N 321.377 -0.084 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1oncc1C 1798402160 AJNNTMBUASLWLN-PTEHBNRSSA-N 303.318 -0.181 30 20 DBED C=CCNC(=O)NC(=O)CN1CCSC[C@@H]1C(=O)OCC 26336349 AFGKMAYDTQGBMD-SNVBAGLBSA-N 315.395 -0.021 30 20 DBED CCN(CC)[C@@H]1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)C1 78576813 GSCMNTLYLUIKRF-LLVKDONJSA-N 305.382 -0.124 30 20 DBED C=C[C@@H](C)NS(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C 152707986 ADDKLIDMHYNANI-SSDOTTSWSA-N 310.335 -0.525 30 20 DBED C[C@@H]1CN(c2nccnc2C#N)CCN1CCCS(N)(=O)=O 176373808 KZGCGQYPAMYVSI-LLVKDONJSA-N 324.410 -0.463 30 20 DBED N#Cc1ccc(S(=O)(=O)N[C@H](CC(N)=O)C(=O)O)s1 230322853 QNTJUPXGSQSNHW-ZCFIWIBFSA-N 303.321 -0.773 30 20 DBED C=CCCS(=O)(=O)NCCC(=O)N1CCN(C(C)=O)CC1 268913072 ZIDJPOJFYYAOKQ-UHFFFAOYSA-N 317.411 -0.437 30 20 DBED C#CCN1CCN(S(=O)(=O)c2c[nH]c(C(=O)OC)c2)CC1 271147920 ZSZJIJVDSPKZCK-UHFFFAOYSA-N 311.363 -0.259 30 20 DBED N#Cc1ncn(CCNS(=O)(=O)c2ccc3c(c2)OCO3)n1 285652936 PGLTZHFWUPFQGR-UHFFFAOYSA-N 321.318 -0.143 30 20 DBED CN(C)C1CN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 291499506 RWDYOJRJDXBCTH-UHFFFAOYSA-N 322.390 -0.391 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@]2(O)CCC[C@H]2C)C1=O 294079889 IGRSJGAAUPWNPO-BMIGLBTASA-N 323.349 -0.370 30 20 DBED COC(=O)[C@@H]1CN(CC(=O)N(CCC#N)CCC#N)CCO1 317047574 WHQZXXFCBZWATM-LBPRGKRZSA-N 308.338 -0.484 30 20 DBED CCN1CN([C@H](C)/C(O)=N/[C@@H]2CCS(=O)(=O)C2)CC1=O 330131851 PXSHDRRZHALNEU-NXEZZACHSA-N 303.384 -0.360 30 20 DBED CCOC(=O)[C@@](C)(O)CNS(=O)(=O)N(CC)CCC#N 336939696 IKCSCGNQOKMORN-NSHDSACASA-N 307.372 -0.630 30 20 DBED C[C@H](O)C[C@@H]1COCCN1S(=O)(=O)N(C)[C@@H](C)CC#N 337846031 WYGZPHARQZNKDS-SDDRHHMPSA-N 305.400 -0.063 30 20 DBED N#Cc1cccc(-c2cc(C(=O)N[C@@H](CO)C(N)=O)on2)c1 341740526 DFZMQPASKGTIPG-NSHDSACASA-N 300.274 -0.211 30 20 DBED N#C[C@H]1CSCCN1C(=O)CNC(=O)c1ncccc1O 342229500 XIUMDUNQSMEDEX-VIFPVBQESA-N 306.347 -0.015 30 20 DBED C[C@H](C(=O)NC1(C#N)CCC1)N(C)C[C@H](O)CN1CCOCC1 346508248 RZVAIOALJNSLOJ-KGLIPLIRSA-N 324.425 -0.438 30 20 DBED C=CCNC(=O)CNC(=O)CN1C(=O)NC(CC)(CC)C1=O 347908115 ZSDAUSRWUAJPLE-UHFFFAOYSA-N 310.354 -0.485 30 20 DBED C=CCCn1cc(-c2nc(Cc3nc(=N)[nH]c(=N)[nH]3)no2)nn1 351306393 YDXDPNNBGXQZTB-UHFFFAOYSA-N 314.313 -0.495 30 20 DBED COC(=O)[C@@H](O)CNS(=O)(=O)c1ccc(F)cc1C#N 352069377 LUHVBJOOEWCXLD-VIFPVBQESA-N 302.283 -0.490 30 20 DBED C=CCNc1nnc(S(=O)(=O)CCCC(=O)NC)s1 358736915 ZKEXOFZFTQCBLA-UHFFFAOYSA-N 304.397 0.436 30 20 DBED CCOC(=O)[C@@](C)(O)CN(CCC#N)CCN1CCOCC1 361433089 ZTZAKVVQWRTHSQ-HNNXBMFYSA-N 313.398 -0.152 30 20 DBED CN(C)C1CCN(CCNS(=O)(=O)N(C)CCC#N)CC1 362110224 DRFVPPCPCVMGOS-UHFFFAOYSA-N 317.459 -0.308 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H]1CCCCNC1=O 407953117 KXHUXQFDDLYFOT-MNOVXSKESA-N 302.400 -0.029 30 20 DBED C=CCn1cc(CNC(=O)NCCNS(=O)(=O)CC)nn1 425443133 KQJMKPQVTMLOEH-UHFFFAOYSA-N 316.387 -0.797 30 20 DBED C=CCC[C@H](CO)NC(=O)NCCNS(=O)(=O)NC(C)C 458705242 BGSAMVMSXDOCJW-LLVKDONJSA-N 322.431 -0.555 30 20 DBED C#CCNS(=O)(=O)c1ccc(C(=O)Nc2nn[nH]n2)cc1 490649085 DZHOKEHKWCOEEV-UHFFFAOYSA-N 306.307 -0.637 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)Cc2cncs2)CC1 491621273 GSMJZQMBZXHAGA-UHFFFAOYSA-N 306.391 -0.421 30 20 DBED C#CCNC(=O)CCNCCNS(=O)(=O)c1cccs1 491767622 IXZIAOOZULJOMC-UHFFFAOYSA-N 315.420 -0.245 30 20 DBED C#CCNS(=O)(=O)CCCCS(=O)(=O)Nc1cn[nH]c1 491772753 AKEYRZLAUXHYHT-UHFFFAOYSA-N 320.396 -0.516 30 20 DBED C#CCN(C)CCCNC(=O)NC[C@H]1CC[C@@H](C(=O)N(C)C)O1 491804682 MOBQJVAAENWFDH-KGLIPLIRSA-N 324.425 -0.124 30 20 DBED C[C@H]1CN(C(=O)C(=O)Nc2cccc(C#N)n2)C[C@H](CO)O1 564948071 QXCDMPYDEYXJGO-GXSJLCMTSA-N 304.306 -0.500 30 20 DBED N#Cc1cccc(NC(=O)C(=O)N[C@H]2CC(=O)N(C3CC3)C2)n1 566204313 RZZVTAHSKKPKAH-JTQLQIEISA-N 313.317 -0.229 30 20 DBED CN1C(=O)CO[C@@H](C(=O)NCC2(C#N)CC2)[C@@H]1c1cnn(C)c1 581288525 BBSZGPAYAZFIFK-QWHCGFSZSA-N 317.349 -0.262 30 20 DBED N#Cc1cc(F)ccc1S(=O)(=O)N[C@@]1(C(N)=O)CCOC1 582132755 XIVAHZYMABWFKJ-LBPRGKRZSA-N 313.310 -0.380 30 20 DBED N#Cc1ccc(S(=O)(=O)NCC(=O)NCCN2CCC2)cc1 583412497 HFCYLBWXFRVIMX-UHFFFAOYSA-N 322.390 -0.342 30 20 DBED CS(=O)(=O)N1CCC[C@H]1C(=O)Nc1n[nH]c(C2CC2)c1C#N 588769562 KNLSBXCVYSXNHA-JTQLQIEISA-N 323.378 0.521 30 20 DBED CC(C)[C@H](C#N)N1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)CC1 593443043 CHMFOCKCIQSDEB-NEPJUHHUSA-N 314.411 -0.630 30 20 DBED N#Cc1ccccc1OC[C@H](O)CNCCN1CC[C@@H](O)C1 600760600 WEOXHNHQQUZTLR-HUUCEWRRSA-N 305.378 -0.046 30 20 DBED COC(=O)CCN(C)S(=O)(=O)NC1CCN(CC#N)CC1 610517281 GXHYFSIPHLUQQU-UHFFFAOYSA-N 318.399 -0.696 30 20 DBED CC#CC[C@@H](CO)NC(=O)c1coc(S(=O)(=O)NC)c1 649184942 UJWCURXCJVRCHX-JTQLQIEISA-N 300.336 -0.308 30 20 DBED C=C[C@](C)(O)C(=O)NCCS(=O)(=O)N1CCSCC1 668408671 ZMTHTTPEDHJUAO-NSHDSACASA-N 308.425 -0.582 30 20 DBED C=CCNC(=O)CNC(=O)N1CCC[C@H](NS(C)(=O)=O)C1 679029257 ASDKMHDMENJKHG-JTQLQIEISA-N 318.399 -0.988 30 20 DBED O=S1CCC(=NNC(=S)NCCN2CCOCC2)CC1 761800840 GKROMADRCSAQGJ-UHFFFAOYSA-N 318.468 -0.319 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H](O)CC(C)C)C1=O 762492573 YGJBCZJMEUQBIN-JTQLQIEISA-N 311.338 -0.514 30 20 DBED CN(C)S(=O)(=O)c1ccc(C(=O)n2ncc(C#N)c2N)cn1 771741887 RJINHGYWLXHRQI-UHFFFAOYSA-N 320.334 -0.329 30 20 DBED C#CCCS(=O)(=O)N1CCN(CC(=O)N[C@H](C)CC)CC1 791420359 MJTUZYFFYCIPMQ-CYBMUJFWSA-N 315.439 -0.128 30 20 DBED Cn1ncc(C(=O)NS(=O)(=O)c2cccc(F)c2C#N)n1 793276990 WPOULHUCJAHDMO-UHFFFAOYSA-N 309.282 -0.055 30 20 DBED CC(=O)OCCCS(=O)(=O)NCCn1cnc(C#N)n1 805100465 DCARUGZOGGJVLV-UHFFFAOYSA-N 301.328 -0.978 30 20 DBED C#CCO[C@H](C)C(=O)N1CCCC[C@@H]1CNS(C)(=O)=O 822432979 PZQQTXNWFMEKLF-VXGBXAGGSA-N 302.396 -0.045 30 20 DBED C#C[C@H](NC(=O)[C@H]1CCCN(S(N)(=O)=O)C1)[C@@H]1CCCO1 832419395 XXFHOABMZXXZPP-SRVKXCTJSA-N 315.395 -0.801 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N1C[C@H](C)[C@@H](C(=O)O)C1 833377770 BCBZEWHUIGQZKF-UWVGGRQHSA-N 304.368 -0.051 30 20 DBED C#CCOc1ccccc1CN1C[C@@H](C(N)=O)[C@H](C(N)=O)C1 895314857 RWCHJAQKMHHKQZ-CHWSQXEVSA-N 301.346 -0.283 30 20 DBED C#CC1(O)CN(S(=O)(=O)c2cn(C)nc2C(F)(F)F)C1 908230140 QNSGRXRZPIGHQH-UHFFFAOYSA-N 309.269 -0.193 30 20 DBED N#Cc1cc(N2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)ccn1 912020852 VRFDAEPLMVLYOD-KGLIPLIRSA-N 322.390 -0.767 30 20 DBED C#CC[C@@H]1NC(=O)N(CCCN(C)S(=O)(=O)CC)C1=O 927359607 BHDQYGLGPOETHX-JTQLQIEISA-N 301.368 -0.398 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CCN(C(=O)[C@@H]3CCNC3=O)C2)c[nH]1 940095290 OWADPOAEUGWWAU-ZYHUDNBSSA-N 315.333 -0.647 30 20 DBED O=C(Cn1ncnn1)N[C@H]1CCCCN(C(=O)C#CC2CC2)C1 943276374 QKCCFZGCYWNIQX-ZDUSSCGKSA-N 316.365 -0.416 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCCC[C@@H](NC(=O)C(N)=O)C1 943491506 HPEKZRGHPYIBPH-OLZOCXBDSA-N 320.393 -0.933 30 20 DBED C[C@H]1CN(CC#N)CC[C@@H]1NC(=O)c1cc(=O)n2[nH]cnc2n1 944135637 OWCCLAJDWDEBCE-UWVGGRQHSA-N 315.337 -0.619 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@H](CNC(=O)c2nccnc2N)C1 944522745 YPEOSELYPPFYRV-NXEZZACHSA-N 318.337 -0.824 30 20 DBED CO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1NC(=O)c1cnc(C)n1C 945986425 MBDLCPQUAMOFSH-UFGOTCBOSA-N 319.365 -0.156 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1cnnn1C 949693922 CHYQZKXCJIPJJV-LOWVWBTDSA-N 319.365 -0.263 30 20 DBED CCN1CCO[C@@H](C(=O)NC[C@H]2CCN2C(=O)C#CC2CC2)C1 950271407 LZJMCSJTBVTIHO-HUUCEWRRSA-N 319.405 -0.162 30 20 DBED Cn1nnc(C(=O)N[C@@H]2CCCN(C(=O)C#CC3CC3)C2)n1 950762307 WRZDKGRHJRVVGR-LLVKDONJSA-N 302.338 -0.656 30 20 DBED Cn1cc(C(=O)NC[C@@H]2CCN2C(=O)C#CC2CC2)nc1O 951958889 MJTNVFRJJDNJDA-NSHDSACASA-N 302.334 -0.130 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](CNC(=O)C2CS(=O)(=O)C2)C1 958095792 BUFZBILAKFSOMC-MWLCHTKSSA-N 322.814 -0.808 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2CN(CC#CC)C[C@@H]2O)nn1 958472846 ZCBMAHRLTVUKFT-OCCSQVGLSA-N 303.366 -0.490 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2cccc(C(=O)NC)n2)C1 958630645 JZQOJDHSXSNBCS-RISCZKNCSA-N 316.361 -0.903 30 20 DBED C#CCCN1C[C@@H](O)[C@@H](CNC(=O)c2cccc(C(N)=O)n2)C1 958736246 LHBODILCXHVFJJ-SMDDNHRTSA-N 316.361 -0.774 30 20 DBED CO[C@@H](C)C(=O)N1CCO[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]21 960092801 XBQLNGKYXBRVIH-FPMFFAJLSA-N 306.362 -0.127 30 20 DBED C=CCCn1cc(C(=O)N[C@H]2[C@@H]3CN(C[C@H](C)O)C[C@@H]32)nn1 962000152 JGOYMDHGSSEMSI-CIQGVGRVSA-N 305.382 -0.105 30 20 DBED CN1C(=O)CCC[C@H]1C(=O)N1CC[C@@]2(CN(CC#N)CCO2)C1 972659933 QKYQIVWRJVEHIX-XJKSGUPXSA-N 320.393 -0.176 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1C[C@@H]2CC[C@H](C1)N2C(=O)C(N)=O 973662016 YKPLRUPMWSQLFA-LLUNPGSJSA-N 321.377 -0.299 30 20 DBED C#CCCN1C[C@H]2C(CNC(=O)c3cn(C)c(=O)cn3)[C@@H]2C1 978544215 SYVWMMUUOWIWCQ-STQMWFEESA-N 300.362 -0.289 30 20 DBED N#Cc1cc(C(=O)N2C[C@H]3[C@@H](NC(=O)C(N)=O)CC[C@H]3C2)c[nH]1 979821808 VJSVHTPHVXAZJB-AXTRIDKLSA-N 315.333 -0.662 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)c2cc(=O)n(C)cn2)[C@H]1C 988738238 FDXITXUCAQPJFI-AXFHLTTASA-N 317.349 -0.341 30 20 DBED C#CCN[C@@H]1C[C@H](C)N(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 989569963 ZLISDSSGIOLNAS-WDEREUQCSA-N 314.349 -0.717 30 20 DBED N#CCN1CC[C@]2(NC(=O)C[C@@H]3CC(=O)NC3=O)CCC[C@@H]12 992547918 PEPXFHCSZJUOHY-FIXISWKDSA-N 304.350 -0.324 30 20 DBED C[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1CNC(=O)c1nnn(C)n1 994460574 QCGHVUCBXFXKTN-OPRDCNLKSA-N 305.342 -0.806 30 20 DBED CC(=O)N[C@@H]1CC(=O)N(C2CN(C(=O)c3ccc(C#N)[nH]3)C2)C1 995454915 KABKSVNYVQGNRF-LLVKDONJSA-N 315.333 -0.552 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCC(N[C@@H]2CCNC2=O)CC1 996687481 WWMFAFOIPOXBDO-CABCVRRESA-N 318.421 -0.447 30 20 DBED C=C(C)CNC1CCN(C(=O)CN2CCN(C)C(=O)C2)CC1 996764565 AQIDSJPNUMLMQN-UHFFFAOYSA-N 308.426 -0.083 30 20 DBED C=CCn1cc(C(=O)NCC2=CCN(CC(=O)NC)CC2)nn1 1001242649 RVXONTUFQYZRQU-UHFFFAOYSA-N 318.381 -0.428 30 20 DBED N#Cc1c[nH]c(C(=O)NCC2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)c1 1001356783 JHJDJQCTOQZDSV-MNOVXSKESA-N 315.333 -0.804 30 20 DBED C[C@@H](C#N)C(=O)N1CC(CNC(=O)[C@@H]2CCCN(C(N)=O)C2)C1 1003184598 CRWXBCJJSQGJAR-CMPLNLGQSA-N 321.381 -0.489 30 20 DBED C[C@@H]1C[C@H](CNC(=O)c2cc(C#N)c[nH]2)CN1C(=O)C(N)=O 1010287731 ZJCRVVBAGJYGGZ-PSASIEDQSA-N 303.322 -0.662 30 20 DBED Cn1ccc(CC(=O)NC2[C@H]3CN(C(=O)C#CC4CC4)C[C@H]23)n1 1013078497 KOHAHGKYOOBZHC-KBPBESRZSA-N 312.373 -0.051 30 20 DBED C=CCN1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cnc(C(N)=O)n1 1017571243 LXRPISLHMWGOLB-PHIMTYICSA-N 304.354 -0.762 30 20 DBED C[C@H](C#N)C(=O)N1CCC2(C1)CN(C(=O)[C@H]1CN(C)C(=O)N1)C2 1019254437 IJJQDQVFHVJJLL-GHMZBOCLSA-N 319.365 -0.769 30 20 DBED C#Cc1ccc(C(=O)N2C[C@@H]3CCN(C(=O)C(N)=O)[C@@H]3C2)cn1 1022551598 AODNYDPXYFXSJH-WCQYABFASA-N 312.329 -0.779 30 20 DBED CC#CCN1CC[C@@H](CNC(=O)[C@H]2CC(=O)N(CCOC)C2)C1 1028576533 BXSMNRGJOULZAP-GJZGRUSLSA-N 321.421 -0.057 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)CC3OCCCO3)C2)C1=O 1030248832 HKFZPUJQTPQKJS-CYBMUJFWSA-N 323.393 -0.273 30 20 DBED C=CCN1CC[C@H](N2CC(CNC(=O)c3cc[nH]n3)C2)C1=O 1031555939 AAVJZDNMHUKVTH-ZDUSSCGKSA-N 303.366 -0.142 30 20 DBED C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)c1cn(CC(N)=O)nn1 1032802586 FEEMEWYYVDPFRC-QWRGUYRKSA-N 304.354 -0.762 30 20 DBED CN(C(=O)[C@@H]1Cc2cncn2C(=O)N1)[C@H]1CCN(CC#N)C1 1033285398 JDTJHTFUOSHFMQ-JQWIXIFHSA-N 302.338 -0.578 30 20 DBED Cc1nc2n(n1)C[C@@H](C(=O)NC[C@H]1CN(CC#N)CCO1)CC2 1035453974 HCZAFGWYPXZSJB-STQMWFEESA-N 318.381 -0.511 30 20 DBED C#CCN[C@@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C[C@H]1CC 1037982046 IQBMOXYMTYCFQF-VXGBXAGGSA-N 318.381 -0.773 30 20 DBED N#CCN1CC[C@@H]([C@@H]2CCCCN2C(=O)Cn2ncnn2)C1 1039202409 KKSWBPAARCVARN-OLZOCXBDSA-N 303.370 -0.100 30 20 DBED N#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CN1C(=O)CNC1=O 1039467533 PAGMZEZDKUAARH-MNOVXSKESA-N 305.338 -0.873 30 20 DBED COCC(=O)N1CC[C@H]2OCCN(c3nccnc3C#N)[C@H]2C1 1039989245 DZNYDJWUFVYQKX-QWHCGFSZSA-N 317.349 -0.199 30 20 DBED O=C(NC[C@]1(O)CCN(C(=O)C#CC2CC2)C1)[C@H]1CCOC1 1040050296 QYZJWGOCRQDLQZ-XJKSGUPXSA-N 306.362 -0.484 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)c3cnns3)C2)nc1 1040942582 CNCHNARFMQBFNY-NXEZZACHSA-N 316.346 -0.216 30 20 DBED Cn1cnn(CCC(=O)N2CC[C@@H]3CCN(CC#N)[C@@H]3C2)c1=O 1042163611 WWDUCPDGDOXLIX-QWHCGFSZSA-N 318.381 -0.582 30 20 DBED O=C(Cc1cccnc1)NCC1(O)CN(C(=O)C#CC2CC2)C1 1042565087 UPWKCTBHYPXWBA-UHFFFAOYSA-N 313.357 -0.273 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)CCOCC#C)C1 1043032895 LUQBMHJXVIICMF-UHFFFAOYSA-N 306.362 -0.481 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)C2(F)CCOCC2)C1 1043524142 ILWJNMHANYSASY-SNVBAGLBSA-N 313.329 -0.646 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CN([C@@H]2CCCNC2=O)C1 1043922659 HIUBRBUYXGNDNO-MCIONIFRSA-N 307.394 -0.001 30 20 DBED C#Cc1ccc(C(=O)NCC2(O)CN(C(=O)COC)C2)nc1 1044252157 XSNQGGGGUBHPGZ-UHFFFAOYSA-N 303.318 -0.988 30 20 DBED C=CCCn1cc(C(=O)N2CC[C@@H](NCC(N)=O)C[C@@H]2C)nn1 1044771646 MHNXYOAGUQPQEF-NWDGAFQWSA-N 320.397 -0.078 30 20 DBED C=C[C@H](CC)CC(=O)NCC1(O)CN(C(=O)[C@H]2CCNC2=O)C1 1045072121 CCEKCUXUEHENBE-NEPJUHHUSA-N 323.393 -0.586 30 20 DBED C=CCCCC(=O)NCC1(O)CN(C(=O)CN2CCCC2=O)C1 1045451022 IDRABLYQSLNZOG-UHFFFAOYSA-N 323.393 -0.345 30 20 DBED C=CCn1cc(C(=O)NC2(C)CCN([C@H](C)C(N)=O)CC2)nn1 1045580904 WESBYJXBWORIJU-LLVKDONJSA-N 320.397 -0.078 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)[C@@H](C)OCCOC)C1 1046971138 IRAIUUKRPVAUEW-GFCCVEGCSA-N 314.382 -0.306 30 20 DBED C#CCOCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C(C)(F)F)C1 1048011341 WQJDAOGAIGTJCX-QWRGUYRKSA-N 318.320 -0.288 30 20 DBED C#CCCCC(=O)N1CC[C@H]([C@H](C)NC(=O)Cn2cnnn2)C1 1050580917 MLUCNUMZCFMACP-STQMWFEESA-N 318.381 -0.170 30 20 DBED N#Cc1nccc(N2CC[C@@H](NC(=O)c3cn[nH]c3)[C@H](O)C2)n1 1051627006 WVSPELNFKARMDD-GHMZBOCLSA-N 313.321 -0.559 30 20 DBED C#CCCN1CCC[C@@H](NC(=O)Cn2ccc(O)nc2=O)CC1 1052537756 OTXYGEFPUDSVRP-CYBMUJFWSA-N 318.377 -0.057 30 20 DBED N#CCN1CCC[C@@H](NC(=O)CN2CCC(=O)NC2=O)CC1 1052845196 VGZAPQLCUZKSGG-LLVKDONJSA-N 307.354 -0.577 30 20 DBED C#CCCN1CCC[C@H](NC(=O)Cn2c(O)nnc2O)CC1 1052899107 MGTMQAQPWZRHGD-NSHDSACASA-N 307.354 -0.317 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)[C@@H]1CC(=O)N(C)C1)CCO2 1053279051 FFQSPFKUNMFUMB-CYBMUJFWSA-N 305.378 -0.599 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)[C@H](C)N1CCOCC1)CCO2 1053553158 LDBDFXYARNNQJB-HNNXBMFYSA-N 321.421 -0.356 30 20 DBED CN1C[C@H](C(=O)NC[C@@H]2CCC3(CN(CC#N)C3)O2)CC1=O 1053606872 PBPQZVQCTZAXKC-NEPJUHHUSA-N 306.366 -0.662 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)Cc3ccc(O)nc3)CO2)C1 1053873483 ZSPKCEYAHWLUCA-ZDUSSCGKSA-N 301.346 -0.078 30 20 DBED O=C(N[C@@]1(CO)CCCN(C(=O)C#CC2CC2)C1)c1cn[nH]c1 1055795752 AQFDKPLAFYNKBI-INIZCTEOSA-N 316.361 -0.094 30 20 DBED Cc1ccc(C#N)c(N2CCN(C(=O)Cn3ncnn3)CC2)n1 1055912211 FATLOQOLYVCCBB-UHFFFAOYSA-N 312.337 -0.403 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)[C@H](C)OCC 1057058342 QCUIOLZNCRDUAD-LBPRGKRZSA-N 302.371 -0.449 30 20 DBED C=C(C)C[C@H](C)C(=O)NCCN(CCO)C(=O)Cn1ncnn1 1057675390 RUMQXEFXAIUFQJ-LBPRGKRZSA-N 324.385 -0.788 30 20 DBED N#Cc1nccc(N2CCC(NC(=O)[C@H]3COCCO3)CC2)n1 1057840564 INLNLJYEKVBBND-GFCCVEGCSA-N 317.349 -0.151 30 20 DBED N#Cc1nccc(N2CC[C@H](NC(=O)[C@H]3CCC(=O)N3)C2)n1 1058313194 JFZJUBYQIIYMQG-VHSXEESVSA-N 300.322 -0.678 30 20 DBED Cc1cc(CC(=O)NCCN(CCO)C(=O)[C@@H](C)C#N)n(C)n1 1058661031 NGAQMNPNWUOPJP-NSHDSACASA-N 321.381 -0.632 30 20 DBED N#Cc1cnc(N2C[C@@H]3CC[C@H](C2)N3C(=O)c2nc[nH]n2)cn1 1058769321 LHVXTTMJABZUJX-PHIMTYICSA-N 310.321 -0.040 30 20 DBED CC(C)(C)C#CC(=O)NCCN(CCO)C(=O)Cc1nc[nH]n1 1058889343 CVWZCJOOMWCSLB-UHFFFAOYSA-N 321.381 -0.666 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1C[C@H](NC(=O)C[C@@H]2CCNC2=O)C1 1059323894 ALAWFOAABBYZFW-DRZSPHRISA-N 313.361 -0.040 30 20 DBED C#CCCCC(=O)N1CCOC[C@@H]1CNC(=O)[C@H](C)CC(N)=O 1061749600 JCLSMXAEQPWUBS-OLZOCXBDSA-N 323.393 -0.355 30 20 DBED Cc1cc(C(=O)N2CCOC[C@H]2CNC(=O)[C@H](C)C#N)nn1C 1061848208 XFIQRWMDAACFPG-ZYHUDNBSSA-N 319.365 -0.155 30 20 DBED COCC(=O)N[C@@H](C)C(=O)NCC1(NC(=O)[C@@H](C)C#N)CCC1 1063323924 CHENJZLWPYUCKR-QWRGUYRKSA-N 324.381 -0.548 30 20 DBED C=CCO[C@H](C)C(=O)NCC1(NC(=O)[C@H]2CCNC2=O)CCC1 1063429200 XNFZBVBEAORRCA-NEPJUHHUSA-N 323.393 -0.131 30 20 DBED N#Cc1sc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)C(N)=O)nc1Cl 1064337453 XWHWVBYAYAPHLT-JCGDXUMPSA-N 311.754 -0.153 30 20 DBED CC[C@H]1CN(C(=O)C(N)=O)CC[C@H]1Nc1cncc(C#N)n1 1064413697 YYBAGCCCTVTVRF-GXSJLCMTSA-N 302.338 -0.127 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2cc(C)[nH]n2)CCO1 1064912936 GBXADMSUTRKFKI-LBPRGKRZSA-N 322.365 -0.122 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CN(C(=O)Cc2ccnn2C)CCO1 1065093124 RLUAVWVCDWNEKH-AAEUAGOBSA-N 319.365 -0.534 30 20 DBED Cc1ccnc(C(=O)N2CCO[C@H](CNC(=O)[C@@H](C)C#N)C2)n1 1065103982 RPSRAOUUKWEKMK-CMPLNLGQSA-N 317.349 -0.098 30 20 DBED C[C@@H](N=c1cc[nH]c(C#N)n1)[C@@H]1CCN(C(=O)CC(N)=O)C1 1065685215 WGFMEOCLJDAAIX-NXEZZACHSA-N 302.338 -0.706 30 20 DBED C[C@H]1CN(C(=O)CC(N)=O)C[C@H]1CNc1cnc(C#N)cn1 1065830127 WMJNLRQDKVBVCH-VHSXEESVSA-N 302.338 -0.270 30 20 DBED Cc1nc(NC[C@@H]2CN(C(=O)C(N)=O)CCO2)ccc1C#N 1066669522 WKUDMWGNLPMPEZ-LLVKDONJSA-N 303.322 -0.614 30 20 DBED C[C@H]1CN(C(=O)Cc2nc[nH]n2)C[C@@H]1Nc1cnc(C#N)cn1 1067144621 MKYZLMOTDVMNTG-ONGXEEELSA-N 312.337 -0.032 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@@H](CNC(=O)c3cnccn3)C2)nc1 1067644927 GKXRWYUDNFKRPA-GXTWGEPZSA-N 324.344 -0.030 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](CNC(=O)c3cn[nH]c3)C2)nc1 1067652019 SYKRQFPHTASLEX-OLZOCXBDSA-N 312.333 -0.097 30 20 DBED COCC(=O)N1CC2(CC[C@H](CNC(=O)C#CC3CC3)O2)C1 1068571551 PCEPTJOPLJLHDO-CYBMUJFWSA-N 306.362 -0.078 30 20 DBED C#CCCCCC(=O)N1CC2(C[C@@H](NC(=O)CC(N)=O)CO2)C1 1068779524 OEVULBRLUWDTHY-GFCCVEGCSA-N 321.377 -0.459 30 20 DBED CN(C)CCC(=O)N[C@@H]1COC2(C1)CN(C(=O)C#CC1CC1)C2 1069013076 KFKWKAUBOITIBL-AWEZNQCLSA-N 319.405 -0.162 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)[C@H]2CCOC2)CCOCC1 1070025099 MTZOQZXQAYAPNZ-RYUDHWBXSA-N 309.366 -0.036 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@@H]1n1ccnn1 1070158572 PXRCSMCLYPSZJU-RDBSUJKOSA-N 302.382 -0.653 30 20 DBED C=CCN[C@@H]1CN(C(=O)CC2OCCCO2)C[C@@H]1n1ccnn1 1070182119 USHIGSPWBXNKNS-OLZOCXBDSA-N 321.381 -0.041 30 20 DBED C=CCN[C@@H]1CN(C(=O)CCn2ccnn2)C[C@@H]1n1ccnn1 1070184373 WGPOWWDADAZYQU-OLZOCXBDSA-N 316.369 -0.513 30 20 DBED CC(C)C#CC(=O)NCC1(NC(=O)c2nc[nH]n2)CCOCC1 1070194189 KONMBJAMJWMFGP-UHFFFAOYSA-N 319.365 -0.141 30 20 DBED N#CCSCC(=O)N[C@@H]1CCCN(C(=O)Cn2cnnn2)C1 1070410416 FTXNHJVPNCCYJB-SNVBAGLBSA-N 323.382 -0.963 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC[C@@H](NC(=O)C(C)(C)C(N)=O)C1 1070731988 RTUXROGAPUMIEM-NWDGAFQWSA-N 323.393 -0.357 30 20 DBED N#CCN1CCNC(=O)CCN(C(=O)CCn2cccn2)CC1 1070940722 SJMBXIDSORHPDF-UHFFFAOYSA-N 318.381 -0.553 30 20 DBED C[C@@H]1CN(C(=O)CCn2cnnn2)C[C@@]2(CCN(CC#N)C2)O1 1071223816 UXEXBSVUYQTQIT-OCCSQVGLSA-N 319.369 -0.721 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(C(=O)C2(C)CC2)C[C@@H]1C 1072250426 QTKUKHRIIPRCTH-NWDGAFQWSA-N 305.378 -0.111 30 20 DBED C=CCCOCC(=O)N1C[C@@H](NC(=O)Cn2ncnn2)[C@H](C)C1 1072335337 CNLDMXYYSAAUHB-VXGBXAGGSA-N 322.369 -0.771 30 20 DBED CCN1C[C@H](C(=O)NC[C@@H]2CN(CC#N)CCCO2)CC1=O 1073629969 JWEPHZXVKSHNAL-CHWSQXEVSA-N 308.382 -0.415 30 20 DBED Cn1cc(C(=O)N2CC[C@@H]3OCCN(CC#N)[C@H]3C2)nc1O 1074331826 NRHZRGUAXGLUAS-RYUDHWBXSA-N 305.338 -0.435 30 20 DBED CC#CCN1C[C@@H]2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)[C@@H]2C1 1075896579 RQWIXTUXEKNNSI-SDDRHHMPSA-N 304.350 -0.860 30 20 DBED C[C@@H](CCNC(=O)c1nc[nH]n1)NC(=O)c1cc(C#N)c[nH]1 1077830299 LBFZLWZMYVMGLB-QMMMGPOBSA-N 301.310 -0.057 30 20 DBED C=CCn1cccc1C(=O)N1C[C@@H](O)[C@@H](CNC(=O)COC)C1 1081167549 WQDSAZRUHIKLLS-GXTWGEPZSA-N 321.377 -0.130 30 20 DBED C=CCOCC(=O)N1C[C@H](CNC(=O)CSC)[C@@H](O)C1 1081237865 VBVFYIGBJGLTNB-QWRGUYRKSA-N 302.396 -0.513 30 20 DBED C#CCOCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)C2CC=CC2)C1 1081358504 YZZJKEOZTJEDDH-HUUCEWRRSA-N 320.389 -0.072 30 20 DBED CC(F)(F)C(=O)N1C[C@@H](O)[C@@H](CNC(=O)C#CC2CC2)C1 1081469524 YFJLKKJSTLWAHB-WDEREUQCSA-N 300.305 -0.010 30 20 DBED CC#CCN1C[C@@H](NC(=O)c2cc(OC)ncn2)[C@H](OC)C1 1081675814 HMUMDAYPXRAHMI-CHWSQXEVSA-N 304.350 -0.063 30 20 DBED C=CCN1C[C@@H](NC(=O)[C@H](C)N2C(=O)CCC2=O)[C@H](OC)C1 1081756420 GIEOBSSKDCXWRF-QJPTWQEYSA-N 309.366 -0.475 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cccn2nnnc12 1083093724 XFMDDVLXVVGIFP-QWHCGFSZSA-N 312.333 -0.717 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cnc2n1CCC2 1083108697 LEXMGWHHFSFOAR-UONOGXRCSA-N 300.362 -0.012 30 20 DBED C=CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CC1CS(=O)(=O)C1 1083124676 KDHPTXFDRVQQNA-QWHCGFSZSA-N 314.407 -0.481 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](NC(=O)C(=O)N2CC[C@@H](C)C2)C1 1083933097 XKFJMFSZPUSSGG-MCIONIFRSA-N 309.410 -0.018 30 20 DBED CS(=O)(=O)CC(=O)NC[C@H]1C[C@H](N=c2cc[nH]c(C#N)n2)C1 1091428538 HGAQPVCTTVAADY-MGCOHNPYSA-N 323.378 -0.879 30 20 DBED C[C@@H]1[C@@H](NC(=O)C(C)(C)C(N)=O)CCN1c1ccnc(C#N)n1 1092022416 LUYBQONZPOOUIM-ZJUUUORDSA-N 316.365 -0.057 30 20 DBED Cc1nsc(N2CC[C@@H](NC(=O)CC(N)=O)[C@@H](O)C2)c1C#N 1092134183 KSXJBIYWUAURRN-ZJUUUORDSA-N 323.378 -0.746 30 20 DBED CC(=O)NCC(=O)N1CCN(c2ncc(C#N)cc2F)CC1 1093131543 CHAWVYBKWHAPNX-UHFFFAOYSA-N 305.313 -0.123 30 20 DBED C[C@@H]1C[C@H](C(=O)NCCNc2nccnc2C#N)CC(=O)N1 1093982405 FFSHSQZTRXRBRF-ZJUUUORDSA-N 302.338 -0.209 30 20 DBED C[C@H]1C[C@@H](C(=O)NCCN=c2cc[nH]cc2C#N)CC(=O)N1 1093983413 ZQNVWFLOAFXBNM-WDEREUQCSA-N 301.350 -0.182 30 20 DBED C[C@H]1CC(=O)N[C@@H](C(=O)NCCN=c2cc[nH]c(C#N)n2)C1 1094178750 QYBAYMPVFKSKSE-NXEZZACHSA-N 302.338 -0.787 30 20 DBED CN1CC[C@H](C(=O)NCCNc2cncc(C#N)n2)CC1=O 1094239189 KTNHNUCECWKZFD-JTQLQIEISA-N 302.338 -0.255 30 20 DBED N#CCN1CCN(C(=O)/C=C/C2CC2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094615697 GIEYSIOPNPPQBR-HORCIZIBSA-N 309.391 -0.214 30 20 DBED N#Cc1ccc(N[C@@H]2CCN(C(=O)CCNC(N)=O)C2)nn1 1095035260 UWXHENSEWNRQAI-SNVBAGLBSA-N 303.326 -0.581 30 20 DBED C[C@H](NC(N)=O)C(=O)N1CC[C@H](N(C)c2nccnc2C#N)C1 1095114095 ZEZAMPJHBXDTCP-UWVGGRQHSA-N 317.353 -0.558 30 20 DBED C#CCNC(=O)CC(=O)NCCCN(C)c1cnc(F)cn1 1095523569 MLJBDWHGAVVVEP-UHFFFAOYSA-N 307.329 -0.302 30 20 DBED CCN(CCCNC(=O)[C@H]1CCC(=O)N1)c1ccc(C#N)nn1 1095847350 ORCOZPMUCGVAIY-GFCCVEGCSA-N 316.365 -0.041 30 20 DBED CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCCN(c2ccc(C#N)nn2)C1 1096133969 AKSZMUYTAGBKKE-GXFFZTMASA-N 316.365 -0.042 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CCN(c2ccc(C#N)nc2)C1 1096360523 ODPSEUYDHJOBRW-ZDUSSCGKSA-N 311.345 -0.212 30 20 DBED C=CCCOCC(=O)N[C@@H]1CCN(c2ccc3nnnn3n2)C1 1096393026 FWQXHYMPIYASEG-LLVKDONJSA-N 317.353 -0.193 30 20 DBED CNC(=O)CC(=O)NC[C@@H]1CCCN(c2ccnc(C#N)n2)C1 1097296106 TVEIQSLNXDKAKL-NSHDSACASA-N 316.365 -0.183 30 20 DBED C[C@H](CNC(=O)C[C@@H]1COC(=O)C1)N=c1cc[nH]c(C#N)n1 1097751993 ZVANWDWHTYYYNP-ZJUUUORDSA-N 303.322 -0.360 30 20 DBED Cc1nc(N[C@H](C)CNC(=O)[C@@H]2CNC(=O)N2)ccc1C#N 1098250129 HTMOTICSVXXBBC-KCJUWKMLSA-N 302.338 -0.140 30 20 DBED C[C@@H](CCNC(=O)[C@H](C)NC(N)=O)Nc1ccc(C#N)nn1 1099040572 GISUDFJSOLPIIN-IUCAKERBSA-N 305.342 -0.288 30 20 DBED N#CCNC(=O)CN1CC[C@H](NC(=O)c2ccccc2)[C@H](O)C1 1099625163 XKKMNWCESQSBFE-UONOGXRCSA-N 316.361 -0.509 30 20 DBED CCC(CC)C(=O)N[C@H]1CCN(CC(=O)NCC#N)C[C@@H]1O 1099693858 YQAQXUNJBDTBEY-STQMWFEESA-N 310.398 -0.386 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(Cc2nonc2C)C[C@H]1O 1099740968 LTAXQWGKJBWHCP-WCQYABFASA-N 310.354 -0.368 30 20 DBED C#CCCCC(=O)N[C@@H]1CCN(CC(=O)N2CCCC2)C[C@@H]1O 1099803796 DCWHBIYDWHDTFR-CABCVRRESA-N 321.421 -0.036 30 20 DBED Cn1cc(CCN2CC[C@@H](NC(=O)C#CC3CC3)[C@@H](O)C2)cn1 1099827068 SXRQOOZUWHPWIR-CVEARBPZSA-N 316.405 -0.073 30 20 DBED CC#CCN1CC[C@@H](NC(=O)C2(C(=O)NC)CCC2)[C@H](O)C1 1100085833 RJRGWMBJQZBKJH-CHWSQXEVSA-N 307.394 -0.523 30 20 DBED C#CCO[C@H](C)C(=O)NCC1CC(NCc2ncnn2C)C1 1100322660 QGVZSBIVZLTCOE-PNESKVBLSA-N 305.382 -0.162 30 20 DBED CC[C@]1(C(=O)NCCN(C)c2ccnc(C#N)n2)CCNC1=O 1100401875 MYUARAVVPOXZFS-HNNXBMFYSA-N 316.365 -0.183 30 20 DBED CN1CCC(C(=O)NCC2CC(NCC(=O)NCC#N)C2)CC1 1100635966 PVPZCSISOUZQDS-UHFFFAOYSA-N 321.425 -0.548 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)[C@H](OC)C(C)C)C1 1100639795 ASXXVVLQCAJOOS-SSDMNJCBSA-N 309.410 -0.109 30 20 DBED C#CCCNC1CC(CNC(=O)[C@@H]2CCN(C)S2(=O)=O)C1 1100747315 GNUZMFKUPSFXSC-BPCQOVAHSA-N 313.423 -0.472 30 20 DBED COC[C@@H](OC)C(=O)NC[C@H]1CCN(c2cncc(C#N)n2)C1 1101051102 UERSHRZJBOTUFC-DGCLKSJQSA-N 319.365 -0.048 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H]1CN(Cc2ccon2)C[C@H]1C 1101900359 LMSRNXPZLMQXNT-CHWSQXEVSA-N 318.377 -0.002 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)c1cc(=O)n(C)cn1 1102022991 BSRAGOQKMGXJCU-UHFFFAOYSA-N 313.321 -0.952 30 20 DBED CC(=O)NCC(=O)N1CC[C@H](CN(C)c2cnc(C#N)cn2)C1 1102424802 AARNRYOSSGACOP-GFCCVEGCSA-N 316.365 -0.231 30 20 DBED C[C@@H](C#N)C(=O)NCC[C@@H]1CN(Cc2nnn(C)n2)C[C@H]1C 1102783464 ATWRXBMBTCYYHE-QJPTWQEYSA-N 305.386 -0.056 30 20 DBED C[C@](CN=c1cc[nH]c(C#N)n1)(NC(=O)c1cnn[nH]1)C1CC1 1103585140 QVOCFDJTNQKKAB-CQSZACIVSA-N 312.337 -0.101 30 20 DBED C#CCNC(=O)CNCC[C@@H]1CN(C(=O)[C@H]2CCCO2)C[C@H]1C 1103853154 WDJHWPNIXVKVKA-RBSFLKMASA-N 321.421 -0.011 30 20 DBED CCC(=O)NCC(=O)N(C)[C@@H](C)CN=c1cc[nH]c(C#N)n1 1104502132 JEULQSBDZGRNHP-JTQLQIEISA-N 304.354 -0.445 30 20 DBED CCc1nc(C#N)cc(N(C)CCN(C)C(=O)CC(=O)NC)n1 1105374736 OUBNNLREUQDENG-UHFFFAOYSA-N 318.381 -0.059 30 20 DBED COC[C@@H](OC)C(=O)N(C)CCN(C)c1cncc(C#N)n1 1105562570 LNXZMTFMNXKGFM-GFCCVEGCSA-N 307.354 -0.096 30 20 DBED CCC(=O)NCC(=O)NC[C@H](O)CNc1ccc(C#N)c(C)n1 1105771338 JMKKSRMKONPJNC-GFCCVEGCSA-N 319.365 -0.323 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)CC2OCCCO2)nc1 1105810075 NEDVGQIGSZMYEW-GFCCVEGCSA-N 320.349 -0.005 30 20 DBED C[C@@](O)(CC(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1)C1CC1 1105826553 HJHSZJZPKHGFTP-XHDPSFHLSA-N 319.365 -0.790 30 20 DBED Cn1ccc(C(=O)NC[C@H](O)CNc2ccc(C#N)nc2)n1 1105856711 ZGNMYAVUMZEXEK-GFCCVEGCSA-N 300.322 -0.110 30 20 DBED CCCN(C)CCC(=O)NC[C@H](O)CNc1ccc(C#N)nn1 1105917487 JTEQNLLBSJYNCK-CYBMUJFWSA-N 320.397 -0.031 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H](O)CNc1ncnc2c1CCC2 1105971102 SQFGBHLUWPJVHN-RYUDHWBXSA-N 318.377 -0.107 30 20 DBED Cc1cc(C#N)nc(NC[C@H](O)CNC(=O)c2csnn2)n1 1106054500 OIYCYFAKHZBJQG-SECBINFHSA-N 319.350 -0.289 30 20 DBED CC[C@@H](NC(C)=O)C(=O)NC[C@@H](O)CN=c1cc[nH]cc1C#N 1106122528 BAEZPWUCAQUQIP-QWHCGFSZSA-N 319.365 -0.821 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)[C@@]2(C)CCOC2)C[C@H]1C 1106800777 KECSHBQODMSPDI-CPUCHLNUSA-N 321.421 -0.154 30 20 DBED CNC(=O)NCCC(=O)NC/C=C/CNc1cncc(C#N)n1 1107152136 YTPRHVVACRTEQE-NSCUHMNNSA-N 317.353 -0.248 30 20 DBED N#Cc1cnc(NC/C=C/CNC(=O)[C@H]2CNC(=O)N2)cn1 1107490089 RIZPRVBLADAIJO-TXXBHVLJSA-N 301.310 -0.886 30 20 DBED C#CCCN1CCO[C@@](C)(CNC(=O)c2cc(=O)n(C)o2)C1 1107898880 NQMXCBOMFTVDJV-HNNXBMFYSA-N 307.350 -0.178 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)[C@H]2CCCN(C(N)=O)C2)C1 1108057594 ILBBDRCLWJFYJQ-XJKSGUPXSA-N 322.409 -0.383 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)[C@H]1CCC(=O)NC1 1108204296 YOPPLUAPJVHQPB-ZJUUUORDSA-N 302.338 -0.787 30 20 DBED COCCCCN1CC(N2C[C@H](NC(=O)[C@@H](C)C#N)CC2=O)C1 1108527056 BNAJKAUETKEGBT-QWHCGFSZSA-N 322.409 -0.026 30 20 DBED C=CCOCCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H](C)NC(N)=O 1109197425 UDHNXPCMBHKQPJ-RNJOBUHISA-N 310.398 -0.033 30 20 DBED N#Cc1ccc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)CCNC(N)=O)nc1 1109708874 QJQSUHNWKYCZEU-SUNKGSAMSA-N 314.349 -0.295 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H](C)NC(C)=O 1110265691 WRVGRMAULVLMJJ-NGFQHRJXSA-N 307.394 -0.118 30 20 DBED CCc1nc(C#N)cc(N2CC[C@](C)(NC(=O)CC(N)=O)C2)n1 1110733924 VHFVOQKJNSPYNI-HNNXBMFYSA-N 316.365 -0.129 30 20 DBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cnn[nH]1 1110761098 HWUWIZCZEUXGFD-FOGDFJRCSA-N 304.354 -0.558 30 20 DBED N#Cc1ccc(N2CC[C@](O)(CNC(=O)[C@H]3CCCO3)C2)nn1 1111032134 SWBYOJRELWDNAO-DOMZBBRYSA-N 317.349 -0.415 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](NCC#C)[C@H](C(F)(F)F)C1 1112085619 FRTXENBJGWUGMX-GHMZBOCLSA-N 315.295 -0.262 30 20 DBED CSCC(=O)NC[C@@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1112698494 XEFJQGIDKDLRKT-KOLCDFICSA-N 307.379 -0.375 30 20 DBED CN(C)CCC(=O)NC[C@H]1CN(c2ccc(C#N)cn2)C[C@@H]1O 1112754521 BXFXUMVKWZHPDM-KBPBESRZSA-N 317.393 -0.182 30 20 DBED COC(=O)NCC(=O)N[C@@H](C)[C@@H](C)N=c1cc[nH]c(C#N)n1 1112915802 CSRHGZIMHNRFLA-BDAKNGLRSA-N 306.326 -0.569 30 20 DBED C[C@@H]1CCN(c2ccncc2C#N)C[C@@H]1NC(=O)CNC(N)=O 1113998177 UUUMVSHYXOBUIP-PWSUYJOCSA-N 316.365 -0.047 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)c3cc(OC)no3)[C@@H]2C1 1114155406 LDNJNPYFUJSYSY-NXEZZACHSA-N 320.349 -0.355 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CN(c2ccnc(C#N)n2)CC1(C)C 1114443799 ISNLJSWVKYGGEQ-SNVBAGLBSA-N 316.365 -0.185 30 20 DBED CC(=O)NCC(=O)NCC1[C@@H]2CN(c3ccc(C#N)nc3)C[C@@H]12 1114503018 FMDLGKZQEAHOBV-GJZGRUSLSA-N 313.361 -0.112 30 20 DBED C=C[C@](C)(CC)C(=O)N[C@H]1[C@@H]2CN(CC(=O)NC(N)=O)C[C@@H]21 1114791646 IGMMWFIHEQQEPT-GOMXZESMSA-N 308.382 -0.170 30 20 DBED C=CCOCCN1C[C@@H]2C(NC(=O)c3ccc(C(N)=O)[nH]3)[C@H]2C1 1114839716 FKBUJOKOURVZMO-QWRGUYRKSA-N 318.377 -0.024 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)c3nc(C)c[nH]3)[C@@H]2C1 1114948323 BDBFCSMEHMFQFT-QJPTWQEYSA-N 315.377 -0.484 30 20 DBED CS(=O)(=O)C1(C(=O)NC2[C@H]3CN(CC#N)C[C@H]23)CCCC1 1114969630 ZKKVTHDZYCKIOZ-QWRGUYRKSA-N 311.407 -0.086 30 20 DBED C=CCOCCN1C[C@H]2C(NC(=O)[C@@H]3CN(CC)CCO3)[C@@H]2C1 1115271689 MQQXRWFEAGOECW-KFWWJZLASA-N 323.437 -0.044 30 20 DBED C#CCN1C[C@@H]2C(NC(=O)COc3cccc(C(N)=O)c3)[C@H]2C1 1115292464 OQRAKHWBTJVGPA-KBPBESRZSA-N 313.357 -0.156 30 20 DBED CN(C(=O)CNC(N)=O)[C@@H](CN=c1cc[nH]c(C#N)n1)C1CC1 1115466966 FYCPTFOWHNFROP-JTQLQIEISA-N 317.353 -0.913 30 20 DBED O=C(O)Cn1cc(C=NNC(=S)NCc2cccnc2)nn1 1116304701 NEWSMLREYZIZBN-UHFFFAOYSA-N 319.350 -0.244 30 20 DBED C[C@](C#N)(NC(=O)CN1CCC(S(N)(=O)=O)CC1)C1CC1 1116401981 VAVQIGTXPRTJMA-CYBMUJFWSA-N 314.411 -0.452 30 20 DBED C#CCNC(=O)C1CCN(C(=O)C(=O)N[C@H]2CO[C@@H](C)C2)CC1 1118232879 VQVQUOJKIIQYMS-WCQYABFASA-N 321.377 -0.732 30 20 DBED Cc1cc(C(=O)NC[C@H](CO)Nc2nccnc2C#N)n(C)n1 1121150303 JCWLBTOTTYCUFF-SNVBAGLBSA-N 315.337 -0.407 30 20 DBED COCCO[C@@H](C)C(=O)NC[C@H](CO)N=c1cc[nH]cc1C#N 1122012380 JSUVKMHHIIWKKQ-WCQYABFASA-N 322.365 -0.684 30 20 DBED Cc1cnn(C)c1C(=O)NC[C@H](CO)Nc1nccnc1C#N 1122341017 FCJMWQKQFNNGSE-SNVBAGLBSA-N 315.337 -0.407 30 20 DBED CO[C@@]1(C(=O)OC2CCN(CC#N)CC2)CCS(=O)(=O)C1 1122736635 ADCAIFCDHTYQQV-ZDUSSCGKSA-N 316.379 -0.279 30 20 DBED C[C@H](NC(=O)NC1CCN(CC#N)CC1)[C@@H]1CN(C)CCN1C 1123598630 DLELVWIJZUKJMB-ZFWWWQNUSA-N 322.457 -0.092 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)CCCOCC 1123992354 LPURUQWAEBGQTP-UHFFFAOYSA-N 314.386 -0.479 30 20 DBED CN(C[C@@H](O)CN(C)c1nccnc1C#N)C(=O)c1nc[nH]n1 1125139877 PTZABEIMURIUIK-VIFPVBQESA-N 316.325 -0.964 30 20 DBED COCc1noc(CNCCNC(=O)c2cc(C#N)c[nH]2)n1 1125391309 YHYKKEUXFRGDHF-UHFFFAOYSA-N 304.310 -0.065 30 20 DBED COCc1noc(CNCCNC(=O)c2c[nH]c(C#N)c2)n1 1125988530 YIQWPKZLCDACNA-UHFFFAOYSA-N 304.310 -0.065 30 20 DBED C#CCNC(=O)CC(=O)NCCN[C@@H](C)C(=O)N(CC)CC 1125997601 BMGWBPCMEOGNGB-LBPRGKRZSA-N 310.398 -0.911 30 20 DBED C#CCCCC(=O)NCCNCCN1CCCS1(=O)=O 1126339002 OFUKCXBIFBHAAZ-UHFFFAOYSA-N 301.412 -0.469 30 20 DBED C#CCO[C@H](C)C(=O)NCCNCC(=O)NC[C@H]1CCCO1 1127047133 YMSDJIJJOHKCOK-CHWSQXEVSA-N 311.382 -0.974 30 20 DBED C#CCCNCc1cccc(N2CC[C@H](NC(=O)C(N)=O)C2)n1 1128119409 VBKAMIMVMBVQJR-ZDUSSCGKSA-N 315.377 -0.625 30 20 DBED CCn1cc(C(=O)NCCNCC(=O)NCC#N)c(C2CC2)n1 1128356586 PTYFGKZSLIKJND-UHFFFAOYSA-N 318.381 -0.260 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1cnc2[nH]cnc2c1 1128431430 CABRARHCOAJPOO-SNVBAGLBSA-N 314.349 -0.585 30 20 DBED COCC#CCNCCNC(=O)c1cccc2c1NC(=O)CO2 1129620362 PUKOULLMYUIFCE-UHFFFAOYSA-N 317.345 -0.013 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CCc2cncn2C1 1130488092 MRINXHHKCYCLQZ-OLZOCXBDSA-N 319.409 -0.158 30 20 DBED C#CCN[C@@H]1CCO[C@H]1C1CCN(C(=O)CNC(N)=O)CC1 1131421625 NJDHDEQXRAVKFC-OCCSQVGLSA-N 308.382 -0.726 30 20 DBED C#CCNC(=O)CNCCNC(=O)CCCNC(=O)C(C)(C)C 1132123021 OCNJHIZLYJCPJV-UHFFFAOYSA-N 324.425 -0.616 30 20 DBED C#CCN1C[C@@H](NC(=O)CCn2ncn(C)c2=O)CC[C@@H]1C 1132200955 VOYHEOOPBQQWMU-STQMWFEESA-N 305.382 -0.426 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)[C@]2(C)CCC(=O)NC2)C1=O 1132719685 WXXISZMUGZQZJH-BLLLJJGKSA-N 322.409 -0.605 30 20 DBED C[C@H]1CCN(C(=O)c2ncc[nH]2)C[C@H]1CNCC(=O)NCC#N 1132799827 NVNUBFLSPYQBEP-NWDGAFQWSA-N 318.381 -0.263 30 20 DBED C=CCNC[C@@H]1CN(C(=O)CNC(=O)CNC(C)=O)CC[C@H]1C 1132928886 VLQZRCZCEGVNPS-TZMCWYRMSA-N 324.425 -0.501 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)C2(CN(C)C)CC2)C1=O 1132995571 YVHQEJUPGLJROU-CYBMUJFWSA-N 308.426 -0.179 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)CCc2ncccn2)C1=O 1135556437 NWAVASGZBRUPCZ-CYBMUJFWSA-N 317.393 -0.098 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)CCn1cnccc1=O 1136019888 VACNQVGHBWYOFU-LBPRGKRZSA-N 321.381 -0.970 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC2(CN(C(=O)COCC)C2)C1 1146940366 OIVNNMUTDGAIGK-CYBMUJFWSA-N 307.394 -0.305 30 20 DBED C#CCNC(=O)CN1CCCO[C@@H](CNC(=O)[C@H]2CC2(C)C)C1 1149541045 FUTRNBJPZAYLOX-UONOGXRCSA-N 321.421 -0.011 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)CNC(=O)CCC 1152200555 ZDDVYCCZUXKAOG-CYBMUJFWSA-N 324.425 -0.521 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)c1nonc1C 1153577599 BTEJRLRKKXBCCQ-SECBINFHSA-N 324.341 -0.902 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H](C)C1CCOCC1 1153875655 FHEQBJODIMKCFU-QWHCGFSZSA-N 309.410 -0.107 30 20 DBED CN(CC(=O)NCC#N)C[C@H]1CCCCN1C(=O)c1cc[nH]n1 1157568289 NSHWPEBLJMUZKY-GFCCVEGCSA-N 318.381 -0.024 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)c1cc(OC)ncn1 1158188532 GRVRXYCZZAPXPV-NSHDSACASA-N 319.365 -0.667 30 20 DBED CC#CCNCC1(CCNC(=O)CCNS(C)(=O)=O)CC1 1165314157 HEGJNHJJNFXIDK-UHFFFAOYSA-N 315.439 -0.175 30 20 DBED CC(C)(C)C(=O)NCC(=O)N1CC[C@@H]2OCCN(CC#N)[C@H]2C1 1177149866 DOADAUXFJKJQQE-STQMWFEESA-N 322.409 -0.026 30 20 DBED CC#CCN[C@H]1CCN(C(=O)CN2CC(=O)N(C)C2=O)[C@H]1C 1179916581 MOHRDNROBPDATC-RYUDHWBXSA-N 306.366 -0.517 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)[C@H]2CCCS2(=O)=O)C1 1187976571 WEJKGHDAYJRFNO-CHWSQXEVSA-N 314.407 -0.596 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@H](N(C)Cc2nncn2C)C1 1190093937 FFROZCVQORFZHS-STQMWFEESA-N 305.382 -0.114 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@@H](N(C)Cc2nc(=O)n(C)[nH]2)C1 1190096135 XSMSSHBRIAVXEP-VXGBXAGGSA-N 321.381 -0.821 30 20 DBED C=CCCC(=O)N[C@@H]1CN(CC(=O)NC(=O)NCC=C)C[C@H]1O 1191715079 PBIVYVXMBIHUGB-VXGBXAGGSA-N 324.381 -0.874 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C2[C@H]3CCCC[C@H]23)C1 1192030013 XLQRTNQHRSCPJX-IGQOVBAYSA-N 319.405 -0.667 30 20 DBED CC(=O)N[C@@H](C(=O)N[C@@H]1CN(CC#N)C[C@H]1O)C1CCCC1 1194546423 YNDPVBHZTGQCPZ-MGPQQGTHSA-N 308.382 -0.634 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCCN([C@@H]2CCC(=O)NC2=O)CC1 1195791361 ATAAVJWDHJUICY-QWHCGFSZSA-N 321.377 -0.636 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2c[nH]cc2C)C1 1198653084 HHYWKDTYNVDSAR-CHWSQXEVSA-N 306.366 -0.600 30 20 DBED C[C@H](C#N)C(=O)N1CCCO[C@H](CNCC(=O)N2CCCC2)C1 1200116135 UJNLUFRZSSLIKB-ZIAGYGMSSA-N 322.409 -0.024 30 20 DBED N#CCNC(=O)CNC[C@H]1CN(C(=O)/C=C/C2CC2)CCCO1 1200207354 SLOSCZZEBGRDBO-NNTXTVRGSA-N 320.393 -0.201 30 20 DBED CC#CCNC[C@H]1CN(C(=O)c2cn(C)c(O)n2)CCCO1 1201318532 OGQZKBSDVHUWHV-LBPRGKRZSA-N 306.366 -0.030 30 20 DBED CC(=O)NCC(C)(C)C(=O)N1CCCO[C@H](CNCC#N)C1 1201621709 NNTNDXIXHZAIER-CYBMUJFWSA-N 310.398 -0.121 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)CS(=O)(=O)CC)CCCO1 1202163214 DHGXSTOLXKLVBF-CYBMUJFWSA-N 316.423 -0.349 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC[C@H](NCc2nnnn2C)C1 1208017251 AYKURMAWQPFYQU-NEPJUHHUSA-N 306.370 -0.671 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(CCOCC)C[C@H]1OC 1212419948 MLZKEQAEVBGKAA-OWCLPIDISA-N 323.437 -0.064 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(Cc2ncnn2C)C[C@H]1OC 1213959649 VKTMKWJDDMWXQA-CHWSQXEVSA-N 323.397 -0.277 30 20 DBED C[C@@H]1CN(C(=O)c2cnccn2)C[C@H]1NCC(=O)NCC#N 1214067944 CFWCFTYYSSHXBV-ZYHUDNBSSA-N 302.338 -0.834 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)C[C@](C)(O)C2CC2)C[C@H]1C 1214452119 DRKYOHCWGYEIEA-MRRJBJDNSA-N 321.421 -0.277 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)C[C@H](C)NC(N)=O)C[C@H]1C 1214624502 VSDRXQVXIXCISP-FRRDWIJNSA-N 310.398 -0.480 30 20 DBED Cc1nocc1C(=O)N1C[C@@H](NCC(=O)NCC#N)[C@H](C)C1 1215443803 BECLQAIBUVOJEA-BXKDBHETSA-N 305.338 -0.327 30 20 DBED CCCn1nnnc1CN1C[C@H](O)[C@H](NC(=O)C#CC2CC2)C1 1219593199 HFVSNKAUWSRKDS-OLZOCXBDSA-N 318.381 -0.842 30 20 DBED C=CCCC1(C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@@H]2O)CC1 1220280539 NNDWFCOZRHPBCJ-OLZOCXBDSA-N 320.393 -0.466 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@@H]2O)C1 1220323140 QOTHGQZWFUDJCK-NEPJUHHUSA-N 306.366 -0.856 30 20 DBED C=C(C)CN1CCC(CNC(=O)CN2CCNC(=O)C2)CC1 1224034141 SCEKRPDTRVONGF-UHFFFAOYSA-N 308.426 -0.178 30 20 DBED COCC#CCN1CCC(CNC(=O)C2(C(N)=O)CC2)CC1 1224276418 BWEBBCUMMJBVNZ-UHFFFAOYSA-N 307.394 -0.270 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CCN(C[C@@H](O)COC)CC1 1227849306 PFGJGAMTCXCWEZ-CVEARBPZSA-N 323.437 -0.328 30 20 DBED CCS(=O)(=O)N(C)CC(=O)NC1CCN(CC#N)CC1 1229839846 WRRMQLAGFFAXBS-UHFFFAOYSA-N 302.400 -0.628 30 20 DBED C[C@H](C(=O)N(C)C[C@H]1CCN1CC(=O)NCC#N)n1cccn1 1230850273 ZYDHHVVSBRPLKC-CHWSQXEVSA-N 318.381 -0.383 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@H]1CN(C)C(=O)c1ccnn1C 1231103061 NEIWEMFHIZCUAG-STQMWFEESA-N 317.393 -0.296 30 20 DBED C=C(C)COCCNC(=O)C(=O)N[C@@H]1CCCS(=O)(=O)C1 1261161101 PEAYHPDDYXPGSD-LLVKDONJSA-N 318.395 -0.611 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)NC[C@@H]1CCCN(C(C)=O)C1 1322934073 HHBZXMXLUZQEIS-HNNXBMFYSA-N 317.389 -0.154 30 20 DBED C=CCOCCNC(=O)C(=O)N(C)[C@@H](C)CS(C)(=O)=O 1327052577 JKMHQEDSWSGWBH-JTQLQIEISA-N 306.384 -0.803 30 20 DBED Cc1nnc(COCC(=O)N[C@@H]2CCCN(O)C2=O)s1 1327111752 DPVMBXFEFGGVOB-MRVPVSSYSA-N 300.340 -0.140 30 20 DBED CCN1CCCC[C@H]1CNC(=O)C(=O)N1CCO[C@@H](C#N)C1 1328528012 WOSLXLBXJOCIOV-STQMWFEESA-N 308.382 -0.272 30 20 DBED C#CCCCNC(=O)C(=O)NCCS(=O)(=O)C(C)(C)C 1328863797 FFXDBNANOAEPJJ-UHFFFAOYSA-N 302.396 -0.155 30 20 DBED C=CCn1cc(CNC(=O)C(=O)NCC(C)(C)C[C@H](C)O)nn1 1329204684 KJPWIXLTEHOQKO-NSHDSACASA-N 323.397 -0.006 30 20 DBED C[C@H]1CN[C@H](C)CN1C(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1329454883 RGQVLMXRSORJOV-MBNYWOFBSA-N 319.409 -0.606 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)CCCC(C)=O)CC1 1330298029 KGONLUZUDLXWKC-UHFFFAOYSA-N 315.395 -0.643 30 20 DBED C=CCNC(=O)CN1C[C@@H](C(=O)O)C2(CC(C(=O)OC)C2)C1 1331965613 IYQKZQVFQCUQJJ-VTWZXRTESA-N 310.350 -0.126 30 20 DBED C=CCn1c(N(C)C[C@H]2COCCO2)nnc1[C@]1(O)CCOC1 1339245803 IKXJMCCAVOMUNL-WFASDCNBSA-N 324.381 -0.076 30 20 DBED CCOC(=O)C[C@H](C)CNC(=O)C(=O)N1CCO[C@@H](C#N)C1 1343261711 FNLJTYJZLOWSHS-QWRGUYRKSA-N 311.338 -0.557 30 20 DBED N#CC[C@@]1(O)CCN(CCOCCN2CC[C@](O)(CC#N)C2)C1 1345780990 LADDCVUGJNNZAE-HZPDHXFCSA-N 322.409 -0.296 30 20 DBED C#CCOCCNC(=O)C(=O)NCC1CCN(C2CC2)CC1 1347270039 MUCIVUIIBRAJSN-UHFFFAOYSA-N 307.394 -0.257 30 20 DBED C=CCn1cc(CNC(=O)N[C@@H]2CCCS(=O)(=O)C2)nn1 1349015634 GTPBLNHBZJYNEQ-SNVBAGLBSA-N 313.383 -0.160 30 20 DBED C[C@H]1C[C@H](CNC(=O)C(=O)N2CCN(CCC#N)CC2)CCO1 1352610699 YJOHLUWORSIVTA-UONOGXRCSA-N 322.409 -0.024 30 20 DBED CC(=O)N1C[C@H]2CN(C(=O)C(=O)N3CC[C@@](F)(C#N)C3)C[C@H]2C1 1356277565 WXFQMJIHIKIJIP-TYNCELHUSA-N 322.340 -0.613 30 20 DBED C[C@@H](CNC(=O)CCn1cc(C#N)c(O)nc1=O)N(C)C1CC1 1362208664 WGCQOGVTICBZCF-JTQLQIEISA-N 319.365 -0.190 30 20 DBED CCOC(=O)C1(S(C)(=O)=O)CCN(C(=O)CC#N)CC1 1362527840 PWHWNSKNZGRNJB-UHFFFAOYSA-N 302.352 -0.131 30 20 DBED CN(C[C@H]1CCC[C@@H]1O)C(=O)CCn1cc(C#N)c(O)nc1=O 1362597314 KBGFOLMLBXCPRY-PWSUYJOCSA-N 320.349 -0.170 30 20 DBED C[C@H]1[C@@H](O)CCN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1362941594 BYWGMQZCDCKNOH-GWCFXTLKSA-N 323.374 -0.182 30 20 DBED CCn1cnc(C(=O)NCCn2cc(C#N)c(O)nc2=O)c1 1363287977 PNMYUKLZMCCLMM-UHFFFAOYSA-N 302.294 -0.533 30 20 DBED N#Cc1ccc(C(=O)N2CCS(=O)(=O)[C@H]3COCC[C@@H]32)[nH]1 1363412450 FYGKVXAOOWYMJW-RYUDHWBXSA-N 309.347 -0.086 30 20 DBED CC(C)N1CC[C@H](N(C)C(=O)Cn2cc(C#N)c(O)nc2=O)C1 1363442496 UYBNYAKLWUXFQI-LBPRGKRZSA-N 319.365 -0.238 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@@H]1CCN(C(=O)CCc2nc[nH]n2)C1 1372072280 ZJOQTACYKDRYHS-WDEREUQCSA-N 304.354 -0.044 30 20 DBED CCNC(=O)NC(=O)CN[C@H]1C[C@H](CNC(=O)[C@H](C)C#N)C1 1375523711 KQHDQXZFXSIHKP-GMTAPVOTSA-N 309.370 -0.524 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1occ2c1CCOC2 1376652247 BRZHVJKRPKPVSZ-GXSJLCMTSA-N 321.333 -0.281 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1cnn2ccncc12 1392133246 PBXPIPNLGZKRMT-UWVGGRQHSA-N 316.321 -0.904 30 20 DBED N#Cc1ccc(C(=O)NC[C@H](O)CNC(=O)C[C@@H]2CCOC2)[nH]1 1399810883 UHENCIDPAGGUCX-CMPLNLGQSA-N 320.349 -0.480 30 20 DBED CCN(CCC#N)C(=O)CN1CC(NC(=O)[C@@H](C)NC(C)=O)C1 1400321303 MOJOBYXBJLYFNL-LLVKDONJSA-N 323.397 -0.926 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CCN[C@H](C)C(=O)NC(N)=O)CC1 1405504989 LZDWFCDIQMGOTM-WDEREUQCSA-N 323.397 -0.052 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H]1CCN(C(=O)Cn2cncn2)C1 1414263028 QYHUXXBSJWEWMS-GFCCVEGCSA-N 311.349 -0.073 30 20 DBED CCn1cc(NC(=O)NCCn2cc(C#N)c(O)nc2=O)cn1 1414392397 KODJYBNNJQMYSD-UHFFFAOYSA-N 317.309 -0.141 30 20 DBED COC(=O)C1(NC(=O)CN2CC(O)(CC#N)C2)CCCCC1 1421726031 KKQVDINYKQSAOO-UHFFFAOYSA-N 309.366 -0.061 30 20 DBED C=C(Cl)CN1CC[C@](O)(CNC(=O)CN2CCOCC2)C1 1423762793 WOKDWQWFBZYCRW-AWEZNQCLSA-N 317.817 -0.376 30 20 DBED C[C@H](CN(C)C(=O)c1ncn(C)n1)NC(=O)c1ccc(C#N)[nH]1 1427536872 SATUEEFIBLDRPM-SECBINFHSA-N 315.337 -0.095 30 20 DBED COCc1nn(C)cc1C(=O)N(C)CCNC(=O)[C@H](C)C#N 1429449397 BATLAMRQTQWEIR-SNVBAGLBSA-N 307.354 -0.086 30 20 DBED C[C@H](C#N)C(=O)NCCN(CC(=O)N1CCOCC1)C1CC1 1437779472 UEVVYSYBCWQZKQ-GFCCVEGCSA-N 308.382 -0.415 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1 1454884131 OAETTWYLNUZEMU-NXEZZACHSA-N 303.322 -0.492 30 20 DBED CC(C)N[C@@H]1CCCN(C(=O)Cn2cc(C#N)c(O)nc2=O)C1 1457606278 LQSQAAJLROFJLP-GFCCVEGCSA-N 319.365 -0.190 30 20 DBED CCc1nc(C)c(C(=O)NC[C@@H](O)CNC(=O)[C@@H](C)C#N)o1 1458031242 ARCCIIBOBKMDGH-WPRPVWTQSA-N 308.338 -0.088 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H](C)CCNC(=O)c1cnccn1 1484987163 MPDGXEGCQGASEL-NWDGAFQWSA-N 303.366 -0.288 30 20 DBED CC[C@H](C(=O)N(C)[C@@H]1CCN(CC(=O)NCC#N)C1)N(C)C 1494862113 HIIRZYDWDVTHSC-CHWSQXEVSA-N 309.414 -0.501 30 20 DBED C[C@H](C#N)C(=O)N1CC(CNC(=O)[C@@H](C)CS(C)(=O)=O)C1 1530795558 NBAADTVDAYWYDQ-ZJUUUORDSA-N 315.395 -0.599 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1[C@@H]2CN(CCc3cnn[nH]3)C[C@@H]21 1575111486 FIQHZXXDTCFXDS-MRLBHPIUSA-N 317.393 -0.015 30 20 DBED C[C@@H]1CS(=O)(=O)CCN1C(=O)C1CC2(CNC[C@@H]2C#N)C1 1576860366 ILLSFZHNCKXPTL-JJMZSNKZSA-N 311.407 -0.229 30 20 DBED C#C[C@@H]1COCCN1C(=O)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 1588331983 ZRFPMDYRLNPDJQ-OLZOCXBDSA-N 313.317 -0.239 30 20 DBED C#CCN(CC(=O)O)c1nnc([C@H]2COCCN2C)n1CC=C 1588426864 FDEVRTDXGUMIRS-GFCCVEGCSA-N 319.365 -0.009 30 20 DBED C[C@H](C(=O)Nc1cc(-c2nn[nH]n2)ccn1)n1cnc(C#N)n1 1589011825 NQLRBBXCHDVUSA-SSDOTTSWSA-N 310.281 -0.075 30 20 DBED C[C@H](O)[C@H]1CN(c2cnc(C#N)c(-c3nn[nH]n3)n2)CCO1 1589998024 ZKKCWDLSGNAYIS-IONNQARKSA-N 302.298 -0.886 30 20 DBED COC(=O)C(C)(C)C(=O)Cn1cnc(C#N)c1-c1nn[nH]n1 1591225941 FYXAOYOQBPBEBW-UHFFFAOYSA-N 303.282 -0.297 30 20 DBED N#CCNC1(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCC1 1592678845 TXQHKFCEKVRINT-UHFFFAOYSA-N 300.326 -0.040 30 20 DBED C[C@@H]1CN(C(=O)NC2CCN(CC#N)CC2)C[C@@H](C(=O)O)O1 1599857751 QGSUZMQQOSSLLO-PWSUYJOCSA-N 310.354 -0.142 30 20 DBED N#Cc1c[nH]c(=O)n(CC(=O)NC2(C(=O)O)CCCCC2)c1=O 1601084612 YOYXWRNAOPPIHU-UHFFFAOYSA-N 320.305 -0.688 30 20 DBED N#Cc1ncn(CC(=O)N[C@@H](C(=O)O)c2ccc(O)cc2)n1 1601135008 GCARCYWQSNQCMI-GFCCVEGCSA-N 301.262 -0.203 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CCC(S(C)(=O)=O)CC1 1647180070 SUNDBZYHCDGWRM-UHFFFAOYSA-N 323.440 -0.024 30 20 DBED Cn1c(N2CC[C@@H](c3nc[nH]n3)C2)c(C#N)c(=O)n(C)c1=O 1647331596 ZCLRVASEWNEUCI-MRVPVSSYSA-N 301.310 -0.932 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)C2=CCOCC2)C1 1661301532 DFVLZHDIFFNIKQ-JSGCOSHPSA-N 305.378 -0.339 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)CCn2ccnc2)C1 1731646753 HEWLAGADFIEKCP-ZDUSSCGKSA-N 305.382 -0.234 30 20 DBED C#CCN(C(=O)[C@H](C)OC)C1CCN(C[C@@H](O)COC)CC1 1733364354 CVXZDZPXDZFMLD-DZGCQCFKSA-N 312.410 -0.045 30 20 DBED COCC#CCN[C@H]1C[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 1752665808 XCNIRFXWSNGYLK-XJFOESAGSA-N 307.394 -0.225 30 20 DBED C=CCNC(=O)[C@@H](C)NC[C@@H]1CCN(C(=O)CNC(=O)CC)C1 1752932732 ROYIFXNYOGCAFH-OLZOCXBDSA-N 324.425 -0.359 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H](CC)CNC(=O)c1ccncn1 1753490613 AVCYJZDBRAGWQU-VXGBXAGGSA-N 303.366 -0.288 30 20 DBED C#CCNC(=O)CNC[C@H](C)N(C)C(=O)COc1cccnc1 1753718654 OEQCXTTXHXIVNU-ZDUSSCGKSA-N 318.377 -0.354 30 20 DBED CCOc1nc(C(=O)NC[C@@H](O)CNCC#CCOC)co1 1753918476 WCHNBSKGMDJRHC-NSHDSACASA-N 311.338 -0.597 30 20 DBED C=CCN1CC[C@H](NC[C@@H](C)NC(=O)CCc2nc[nH]n2)C1=O 1754221760 OYQLZEOYJPYSNW-NEPJUHHUSA-N 320.397 -0.382 30 20 DBED C#CCNC(=O)CN1CC[C@@]2(CCN(C(=O)c3cc[nH]n3)C2)C1 1754562039 ILSLJYDMCZTUQC-MRXNPFEDSA-N 315.377 -0.303 30 20 DBED C#CCN(C(=O)[C@H](OC)C1CC1)C1CCN(CC(N)=O)CC1 1754636828 ZTKPJQJFCBBCEK-OAHLLOKOSA-N 307.394 -0.177 30 20 DBED C#CCNC(=O)CNC[C@]1(C)CCN(C(=O)c2ccncn2)C1 1754707825 CUMXUGXRRRIHPW-INIZCTEOSA-N 315.377 -0.332 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2CN(C(=O)C[C@@H](C)OC)C[C@H]2C1 1754839824 FXWXYUIOSINKEO-BARDWOONSA-N 321.421 -0.061 30 20 DBED C#CCCN1CCC[C@](CO)(NC(=O)c2nnn(C)c2C)C1 1754852652 LLHYNBUBYNDMKG-HNNXBMFYSA-N 305.382 -0.296 30 20 DBED CC(C)(F)C(=O)N1CCO[C@@H](CNCC(=O)NCC#N)C1 1754994413 GJKCIDMVIYNGQW-JTQLQIEISA-N 300.334 -0.809 30 20 DBED CNC(=O)CCCCC(=O)N1CCC(O)(CNCC#N)CC1 1755156706 YVRKAGQQYRPSBW-UHFFFAOYSA-N 310.398 -0.241 30 20 DBED C#CCCN(C)[C@H](C)CNC(=O)[C@@H]1Cc2cncn2C(=O)N1 1755309508 CCGPRXBRAARYQC-YPMHNXCESA-N 303.366 -0.175 30 20 DBED CN(CC#N)CCOCCNC(=O)c1cccc(C(N)=O)n1 1755545906 FKSNEYWBOOUGLG-UHFFFAOYSA-N 305.338 -0.618 30 20 DBED CN(CC#N)CCOCCNC(=O)c1ccc(C(N)=O)nc1 1755546147 NHOLLBSZVLRETA-UHFFFAOYSA-N 305.338 -0.618 30 20 DBED C[C@H]1[C@H](NCC(=O)NCC#N)CCN1C(=O)c1ccns1 1755654661 PTDJRUGOIQQZLS-VHSXEESVSA-N 307.379 -0.025 30 20 DBED COCC#CCN(C)C[C@H](O)CN(C)C(=O)C[C@H]1CCCO1 1755797604 FQOLNJMIWIIDKK-LSDHHAIUSA-N 312.410 -0.044 30 20 DBED COCCN(CC#N)CCNC(=O)c1cccnc1C(N)=O 1755841302 FAJCSJLIGLPETK-UHFFFAOYSA-N 305.338 -0.618 30 20 DBED C#CCOCCC(=O)N1C[C@@H](NC(=O)[C@H]2CCC(=O)N2)[C@H](C)C1 1757064688 SCACSBSDBHAZIO-JHJVBQTASA-N 321.377 -0.732 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)NC(=O)CC)CCO2 1783047188 ZDWXRUSAMJPAPQ-MLGOLLRUSA-N 321.377 -0.636 30 20 DBED CN1CC(C(=O)N2CC[C@]3(CN(C(=O)CCC#N)CCO3)C2)C1 1784779835 HCAJCZWIRSZHSC-INIZCTEOSA-N 320.393 -0.318 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc[n+]([O-])c1 1794252063 ZLNLRRDIIJADKD-AGGWBTHJSA-N 315.329 -0.844 30 20 DBED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)=O 1795057271 BDYRQEFGZDJTHC-YIYPIFLZSA-N 324.377 -0.244 30 20 DBED CC(C)(C)[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC#N 1795077339 DXBLKGJMSICVFV-XCCSTKFXSA-N 323.393 -0.103 30 20 DBED C[C@H](CN1CCCC1=O)Nc1c(C#N)c(=O)n(C)c(=O)n1C 52488542 HQBOKBILFRNUTH-SECBINFHSA-N 305.338 -0.622 30 20 DBED CNC(=O)CN(C)CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 92617397 FFVKLLKKQWQJBZ-CYBMUJFWSA-N 309.414 -0.643 30 20 DBED C=C(C)COCCNC(=O)CN(C)[C@@H]1CCS(=O)(=O)C1 119647579 SBWBVKVVJGWRDP-GFCCVEGCSA-N 304.412 -0.186 30 20 DBED Cc1nc(C#N)c(N2CCN(C(=O)CN(C)[C@@H](C)CO)CC2)o1 131836339 SZFLXMHFUCCGQX-NSHDSACASA-N 321.381 -0.184 30 20 DBED CC(=O)N1CC(C(=O)N(CCC#N)CCN2CCOCC2)C1 188368437 POXZKAJLOLKDBB-UHFFFAOYSA-N 308.382 -0.461 30 20 DBED C#CCOc1cccc(NC(=O)C(=O)N2CCNC(=O)C2)c1 264734290 LMNIWNWNVLQFHV-UHFFFAOYSA-N 301.302 -0.405 30 20 DBED C=CCNC(=O)CNS(=O)(=O)N1CCC[C@@H]1C(=O)OCC 272022266 IAHLKXYBQIDLAT-SNVBAGLBSA-N 319.383 -0.850 30 20 DBED CNC(=O)[C@H]1CN(S(=O)(=O)c2cccc(C#N)c2)CCO1 272719221 BOKHCOYIHZWTCB-GFCCVEGCSA-N 309.347 -0.306 30 20 DBED C=C(Cl)CNS(=O)(=O)CCCS(=O)(=O)N(C)C 276576014 NVCXATCXSKETFQ-UHFFFAOYSA-N 304.821 -0.060 30 20 DBED N#Cc1ncccc1S(=O)(=O)NCC(=O)N1CCOCC1 276962365 CWDNIYSEOTZJCD-UHFFFAOYSA-N 310.335 -0.910 30 20 DBED N#Cc1ccc(S(=O)(=O)NCCC(=O)NCC(=O)O)o1 287429969 GRLHYXIIIUVQSR-UHFFFAOYSA-N 301.280 -0.980 30 20 DBED CC(C)N1C(=O)C[C@@H](NS(=O)(=O)c2ccc(C#N)o2)C1=O 288292820 VNMZRGNAGBJWEV-SECBINFHSA-N 311.319 -0.035 30 20 DBED C=CCN(CCC#N)CC(=O)NCCCN(C)S(C)(=O)=O 292102756 GOCPFJFDTHBHHG-UHFFFAOYSA-N 316.427 -0.214 30 20 DBED C=CCN(CCC#N)C(=O)CN1C(=O)C(=O)N(CC=C)C1=O 292223249 CIHLDXLJYPCUAA-UHFFFAOYSA-N 304.306 -0.109 30 20 DBED C#CCNC(=O)CCN1CC[C@@H](C(=O)OC)C[C@@H]1C(=O)OC 294651983 QQIKJXUAFYBVKM-VXGBXAGGSA-N 310.350 -0.448 30 20 DBED N#CCCN(CCC#N)C(=O)CN1CCO[C@@H](CC(=O)O)C1 316788372 WTRBSSJYUQHPQJ-LBPRGKRZSA-N 308.338 -0.182 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@]1(O)CCO[C@@H]1C 330373356 BFBDVGMNWYQXSQ-IJLUTSLNSA-N 305.400 -0.158 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)NCCN1C(=O)CCC1=O 330381918 IPQPPAZPOBZTEJ-SNVBAGLBSA-N 316.383 -0.549 30 20 DBED C/N=C(/O)NC(=O)CN1CCN(CCC(=O)OC)C[C@@H]1C 330706924 PADPHVWLODXTND-JTQLQIEISA-N 300.359 -0.784 30 20 DBED COC(=O)CN(CC#N)C(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 331427052 QZPBSOOSYCKJSR-ZANVPECISA-N 311.363 -0.034 30 20 DBED N#CCNC(=O)CN1CC(S(=O)(=O)NC2CCCC2)C1 331786335 OUGNBJMCOVEODZ-UHFFFAOYSA-N 300.384 -0.828 30 20 DBED N#CCNC(=O)CNC(=O)c1ccnc(O[C@H]2CCOC2)c1 344167007 SPVUQXUBPPIMBA-NSHDSACASA-N 304.306 -0.381 30 20 DBED C[C@]1(O)CCCN(C(=O)C(=O)Nc2ccn(CCC#N)n2)C1 346854100 JMPDUEQWKBQNAO-AWEZNQCLSA-N 305.338 0.109 30 20 DBED CC(=O)C[C@H]1COCCN1C(=O)CNc1ccc(C#N)cn1 358073401 LFUSQCWAEPOOGP-ZDUSSCGKSA-N 302.334 0.572 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CC[C@@H](C)[C@@H](CN)C2)nn1 424548941 QOPDSBLKVFIXKH-NEPJUHHUSA-N 320.397 -0.476 30 20 DBED C=CCn1cc(CNC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)nn1 424905944 CMKCXFAJGOWXQK-LBPRGKRZSA-N 320.397 -0.510 30 20 DBED N#Cc1ccnc(N2CCN(C(=O)COC3CNC3)CC2)c1 428784956 YYEVJLTWPIAEMQ-UHFFFAOYSA-N 301.350 -0.410 30 20 DBED C#CCN(CC)C(=O)CCc1nc2c(O)nc(=O)n(C)c2[nH]1 490593582 DKULYOYVKYENAB-UHFFFAOYSA-N 303.322 -0.224 30 20 DBED C#CCNC(=O)CCN[C@@H]1CCCC[C@H]1NS(C)(=O)=O 491118896 GJMHGIMDQJBRRP-VXGBXAGGSA-N 301.412 -0.424 30 20 DBED CNS(=O)(=O)[C@H]1CCN(S(=O)(=O)CC2(C#N)CC2)C1 545918190 DTTXNIVQYFALSR-VIFPVBQESA-N 307.397 -0.757 30 20 DBED COCC1(NC(=O)C(=O)Nc2nn(C(C)C)cc2C#N)CC1 563844610 ARWFEBTWZGIDCE-UHFFFAOYSA-N 305.338 0.569 30 20 DBED N#Cc1cnc(N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c([N+](=O)[O-])c1 565232446 GZGGPDYVFHFZMG-ZJUUUORDSA-N 302.294 -0.390 30 20 DBED CC(=O)N1CC[C@@H](NCCS(=O)(=O)c2ccc(C#N)cn2)C1 569921555 XWFJHALMTQSCPT-CYBMUJFWSA-N 322.390 -0.063 30 20 DBED Cn1c(N2CCC[C@@H](CC(=O)O)C2)c(C#N)c(=O)n(C)c1=O 570065639 JRZWFZFDTXUXOT-VIFPVBQESA-N 306.322 -0.353 30 20 DBED N#Cc1c2c(cn(CC(=O)N3CCNC(=O)C3)c1=O)CCC2 572103984 KTXHGIDTOQHBJM-UHFFFAOYSA-N 300.318 -0.833 30 20 DBED CN(C)c1ccc(NC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)cn1 592303975 BKYSPORYQJFZTL-HNNXBMFYSA-N 317.349 -0.037 30 20 DBED CCc1nc(C#N)cc(NCCn2cc(C(=O)OC)nn2)n1 596224465 ALLHQZVZJBTTOC-UHFFFAOYSA-N 301.310 0.401 30 20 DBED C=CCOC[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)CC)C(=O)OC 597606103 DNPBCDAZMJAUGI-NXEZZACHSA-N 322.383 -0.825 30 20 DBED C=CCN(CCC#N)C(=O)[C@@H]1CCCN(S(N)(=O)=O)C1 597683107 CTOMJVYGFCQUIF-LLVKDONJSA-N 300.384 -0.170 30 20 DBED CN(CCC#N)S(=O)(=O)N1CCO[C@H]([C@@H]2CCCO2)C1 610701796 WYJPGKMEPYDWKZ-RYUDHWBXSA-N 303.384 -0.044 30 20 DBED C=CCNC(=O)CNC(=O)[C@@H]1CCCCN1S(C)(=O)=O 679119303 GMMCPEYVJLGKDQ-JTQLQIEISA-N 303.384 -0.781 30 20 DBED C=CCNC(=O)CNC(=O)Nc1cc(C)n(CC(=O)NC)n1 679134206 RLWMQNMEQVIICP-UHFFFAOYSA-N 308.342 -0.639 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H]1CS(=O)(=O)NC 749511213 FIGRGWDOXVMMLB-OLZOCXBDSA-N 313.423 -0.376 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)C2CCC2)C1=O 754097695 YPBLTZTYADZSMF-UHFFFAOYSA-N 308.290 -0.124 30 20 DBED C#C[C@@H](NCC(=O)NCC(C)(C)N1CCOCC1)[C@H]1CCCO1 775791775 WQVFYZPSAQCZCD-HUUCEWRRSA-N 323.437 -0.016 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CC[C@](C)(C(=O)OC)C1)[C@@H]1CCCO1 809311000 FNJWJAHBOWNBKY-MKBNYLNASA-N 322.361 -0.305 30 20 DBED CN([C@H]1CC(C)(C)OC1=O)S(=O)(=O)N1CCO[C@H](C#N)C1 813766766 AVIFULLBXSCBRN-ZJUUUORDSA-N 317.367 -0.519 30 20 DBED C=CCNC(=O)CNC(=O)c1ncc(-c2nn[nH]n2)cc1Cl 823920104 XDXLPVPCNXZWHG-UHFFFAOYSA-N 321.728 -0.053 30 20 DBED C=CCNC(=O)CNS(=O)(=O)c1cc(C(=O)O)c(C)o1 833376825 RPKUAEZTDFWIDS-UHFFFAOYSA-N 302.308 -0.133 30 20 DBED C=CCN1CCN(CN2CCN(c3cnn(C)c3)C(=O)C2)C1=O 840018705 FTUXXJJTUCTHGW-UHFFFAOYSA-N 318.381 -0.050 30 20 DBED C=C[C@H](C)ONC(=O)NCCN1CCN(S(C)(=O)=O)CC1 845634978 CZHPTQCMROHUGS-NSHDSACASA-N 320.415 -0.631 30 20 DBED O=C1C[C@@](C(=O)N[C@@H]2CCCN(O)C2=O)(c2ccccc2)CN1 854649267 TXFKZAOJGLDXFL-WBMJQRKESA-N 317.345 -0.059 30 20 DBED C#CCCN(CCOC)C(=O)CCN1C(=O)CCNC1=S 856391516 KFXCDRBBMXHMPS-UHFFFAOYSA-N 311.407 -0.018 30 20 DBED C#CC[C@H](CCOC)NS(=O)(=O)N(C)CCC(=O)OC 859425567 IEACSJXZCJDATN-LLVKDONJSA-N 306.384 -0.256 30 20 DBED C=CCNC(=O)[C@@H](C#N)C(=O)[C@H]1CCCN(S(C)(=O)=O)C1 860470882 ABEHKAFNHXQJDQ-QWRGUYRKSA-N 313.379 -0.331 30 20 DBED C#Cc1cccc(NC(=O)C(=O)N2CC(NS(C)(=O)=O)C2)c1 862042376 MZAVOEUMXHQLBZ-UHFFFAOYSA-N 321.358 -0.634 30 20 DBED Cn1ccc(CNC(=O)C(=O)N2CCN(CCC#N)CC2)n1 875200281 XRJZXAVPJZLBGM-UHFFFAOYSA-N 304.354 -0.906 30 20 DBED C#CCN1CCC[C@@H](NC(=O)N(CCO)CCOCCO)C1 890361343 OQQNWFKBESMRTH-CQSZACIVSA-N 313.398 -0.903 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C1CN(S(C)(=O)=O)C1 907947545 HRMJSBJDBFVFSI-PWSUYJOCSA-N 302.396 -0.025 30 20 DBED CN(C)CC#CCNC(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O 913522719 WCDXKFMGNCFYAA-BETUJISGSA-N 303.362 -0.381 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H]2CCN(C(=O)[C@@H]3CCNC3=O)C2)c1 937795805 HMZVOKSGQDOQJX-WDEREUQCSA-N 315.333 -0.647 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)C(N)=O)C1 939384922 WNHUUZCIUSRZNF-TUAOUCFPSA-N 309.366 -0.488 30 20 DBED O=C(CN1CCOCC1)N[C@@H]1CCN(C(=O)C#CC2CC2)C1 940074623 WUCSDSCXMTYGNW-CQSZACIVSA-N 305.378 -0.551 30 20 DBED C[C@@H](C#N)C(=O)N1CCCN(C(=O)[C@H]2COCCN2C)CC1 940806192 BGGYHRGWSZYKSZ-QWHCGFSZSA-N 308.382 -0.462 30 20 DBED C#CCN1CC[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)[C@@H](C)C1 944790250 OVHPXLXLZWEVDG-NWDGAFQWSA-N 306.366 -0.660 30 20 DBED Nc1nccnc1C(=O)N[C@@H]1[C@H]2C[C@H]1N(C(=O)C#CC1CC1)C2 946829631 XIYQJBNTOZHPTE-DMDPSCGWSA-N 311.345 -0.199 30 20 DBED C=CCCN1CCN(C(=O)CN2CCCS2(=O)=O)CC1 948641801 HZYNZCXGVKOMPV-UHFFFAOYSA-N 301.412 -0.258 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)C(N)=O)C3)c1 957959180 JBAVWAJXGNDHCD-GDPRMGEGSA-N 315.333 -0.519 30 20 DBED C=CCN1C[C@@H](O)[C@@H](CNC(=O)c2cnc3n2CCOC3)C1 958151015 CWWYZJPMWUQJPU-WCQYABFASA-N 306.366 -0.378 30 20 DBED N#CCN1C[C@H](O)[C@H](CNC(=O)c2ccc3nncn3c2)C1 958481998 TZSVSIYIAVDQPE-NEPJUHHUSA-N 300.322 -0.725 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2cccc(NC(N)=O)c2)C1 958658274 XHWHJNXNNKUDLB-OCCSQVGLSA-N 316.361 -0.167 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CN(C(=O)c3cnnc(O)c3)C[C@H]2C1 961766374 KECVBXXVMYDTIB-JLLWLGSASA-N 315.333 -0.128 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CN(C(=O)[C@@]3(C)CCNC3=O)C[C@H]2C1 962261471 YRYLUMHIDZWNDJ-YMEQNVIZSA-N 318.377 -0.411 30 20 DBED Cc1cnccc1CC(=O)N[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1O 963824491 MJFDVTQHJYKROC-HONMWMINSA-N 316.361 -0.220 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)c1cccc(O)n1 964123899 CENIOYLCKWSVFT-MNOVXSKESA-N 318.333 -0.096 30 20 DBED C#CCCN1CC[C@@H](C)[C@H](NC(=O)Cn2ncn(C)c2=O)C1 967032592 NGKLAUONKKLRCD-CHWSQXEVSA-N 305.382 -0.568 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N1[C@H]2CC[C@H]1CN(C(=O)C(N)=O)C2 969118934 FKOCYGYNZQFSMX-RVMXOQNASA-N 321.377 -0.345 30 20 DBED Cc1ccn(CC(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)n1 970685809 OCQMJQMSCAHVNW-JLLWLGSASA-N 305.338 -0.961 30 20 DBED CC#CCN1CC([C@H](C)NC(=O)[C@H]2COCCN2C(C)=O)C1 970900789 FXXNLBQGKXMJCY-SWLSCSKDSA-N 307.394 -0.307 30 20 DBED N#CCN1CCO[C@@]2(CCN(C(=O)[C@H]3CCNC(=O)CC3)C2)C1 972480694 QLURLLRJJSMUQK-CJNGLKHVSA-N 320.393 -0.270 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)c3cn(CC)nn3)C2)C1 972617138 MZFPLCGIMFLXPY-OAHLLOKOSA-N 303.366 -0.152 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2C[C@@H](NC(=O)C(N)=O)C2)cn1 979077742 SSPCGKUIUJHRJM-WVSHTKLVSA-N 300.318 -0.827 30 20 DBED C#CCN[C@@H]1CCC[C@@H](NC(=O)CN2CCC(=O)NC2=O)C1 981439266 CDMCCGKWKMPIEQ-VXGBXAGGSA-N 306.366 -0.422 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](CNC(=O)c2cn(C)c(=O)cn2)C1 983213920 GPLKYZCRHMQLIY-WDEREUQCSA-N 317.349 -0.482 30 20 DBED C[C@H]1[C@H](NCC#N)CCN1C(=O)CCn1cc[nH]c(=O)c1=O 987192382 RGGJJTFLRSJVGV-WDEREUQCSA-N 305.338 -0.971 30 20 DBED C[C@H]1C[C@@H](NCC#N)CN1C(=O)C1CC2(C1)CS(=O)(=O)C2 989047041 RCHUAHNNOOADEB-CMPLNLGQSA-N 311.407 -0.086 30 20 DBED C=CCn1cc(C(=O)N2CC(NC(=O)c3cnccn3)C2)nn1 990103631 XDTLKOUPHLDUPF-UHFFFAOYSA-N 313.321 -0.492 30 20 DBED Cn1cc(C(=O)N[C@H]2CCN(C(=O)C#CC3CC3)C[C@H]2O)cn1 991257408 NQWPUGHNHFECBM-UONOGXRCSA-N 316.361 -0.475 30 20 DBED CC1CCN(C(=O)C(=O)NC2CN(C(=O)[C@H](C)C#N)C2)CC1 991635367 OPCQRAAMQMDDQS-LLVKDONJSA-N 306.366 -0.268 30 20 DBED C=CCN1CCC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)[C@H]1C 994471755 BIMKICFYNCSXPL-GHMZBOCLSA-N 306.370 -0.468 30 20 DBED CN1CCN(CC(=O)N2C[C@H](NCC#N)C(C)(C)C2)CC1=O 995977598 GQCKYNRTOIVWGS-LBPRGKRZSA-N 307.398 -0.889 30 20 DBED C#Cc1ccc(C(=O)N2CC(NC(=O)Cc3cncn3C)C2)nc1 996446331 CMRDGCYTXOKNIJ-UHFFFAOYSA-N 323.356 -0.020 30 20 DBED COc1cc(O)ncc1C(=O)NC1CN(C(=O)[C@H](C)C#N)C1 999981953 ICGKAANBURZIIP-MRVPVSSYSA-N 304.306 -0.104 30 20 DBED C=CCn1cccc1C(=O)N1CC(NC(=O)Cc2nc[nH]n2)C1 1000183956 DQFQTAJEZCEPAQ-UHFFFAOYSA-N 314.349 -0.025 30 20 DBED C=CCCN1CC=C(CNC(=O)c2cn(CC(N)=O)nn2)CC1 1001471148 FJULNYFDTURJDA-UHFFFAOYSA-N 318.381 -0.299 30 20 DBED C=CCOc1ccccc1C(=O)NCC1CN(C(=O)C(N)=O)C1 1003065502 OEVUSOOYPSFXEY-UHFFFAOYSA-N 317.345 -0.075 30 20 DBED C[C@@H](C#N)C(=O)N1CCCC2(CN(C(=O)Cn3ncnn3)C2)C1 1010674980 OGWRNOIFPJFVHQ-NSHDSACASA-N 317.353 -0.716 30 20 DBED COc1c(C(=O)N2CCN(C(=O)[C@@H](C)C#N)CC2)cnn1C 1011850569 UYSDEHNLBWMGNG-JTQLQIEISA-N 305.338 -0.127 30 20 DBED CCn1nncc1C(=O)NC1[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]12 1013051258 MFWXLGVXOSERFS-IVZWLZJFSA-N 302.338 -0.356 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2CCN(CC(=O)N(C)C)C2)c1 1015679196 VLSFYOWPTNFEDW-CQSZACIVSA-N 300.362 -0.045 30 20 DBED C=C(Cl)CN1CC[C@H](NC(=O)[C@@H]2CCN(C)S2(=O)=O)C1 1015825520 LKTUMBKVTLINMO-QWRGUYRKSA-N 321.830 -0.037 30 20 DBED C=C(C)CN[C@H]1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)C1 1018938455 OXOHIEZBDILBSV-LBPRGKRZSA-N 306.366 -0.686 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@@H](NCc2nnn(C)n2)C1 1022100014 WLSBINXFCYLKQZ-XQHKEYJVSA-N 320.397 -0.072 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CCN(C(=O)Cc3nc[nH]n3)[C@@H]2C1 1022774949 VPIJHIMQWPXAHA-GARJFASQSA-N 302.338 -0.434 30 20 DBED N#Cc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccc[nH]3)C2)c[nH]1 1023040791 NFESKNPBPCZDNJ-CHWSQXEVSA-N 313.317 -0.170 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc[nH]n2)C1 1023101467 QBNCCZWLERYMTJ-JHEVNIALSA-N 320.349 -0.698 30 20 DBED C#CCCN1CCCC[C@H]1CNC(=O)c1nnc(O)nc1O 1024533413 WENBJLPUCMGCLM-JTQLQIEISA-N 305.338 -0.110 30 20 DBED C=CCn1cc(C(=O)N2C[C@@H]3CC[C@H](C2)N3[C@@H](C)C(N)=O)nn1 1029506412 MTRILAIRGQEGHV-SDDRHHMPSA-N 318.381 -0.373 30 20 DBED C#CCCN1[C@H]2CC[C@H]1CN(C(=O)CN1C(=O)CNC1=O)C2 1029577272 KKKYLWOHXBJKMI-RYUDHWBXSA-N 304.350 -0.763 30 20 DBED C=C(C)CN1[C@H]2CC[C@H]1CN(C(=O)[C@@H]1CCS(=O)(=O)N1)C2 1029588459 WZDCMXHREGIZCW-AVGNSLFASA-N 313.423 -0.071 30 20 DBED C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cn(CCOC)nn1 1032400204 XXFHPRHDIFZLNZ-STQMWFEESA-N 303.366 -0.154 30 20 DBED C=C(Cl)CN1CCO[C@@H](CNC(=O)[C@H]2COCCO2)C1 1035295883 ZFGWCDZSYCNZFH-NWDGAFQWSA-N 304.774 -0.029 30 20 DBED C#CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1cnc2c(c1)NC(=O)CO2 1037485893 FRDQBNUKOQAABB-SCDSUCTJSA-N 312.329 -0.152 30 20 DBED C=C(C)CCC(=O)NC[C@@]1(O)CCN(C(=O)Cn2cnnn2)C1 1039952157 LZWJNJLGIIKICR-AWEZNQCLSA-N 322.369 -0.891 30 20 DBED C[C@@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)C23CCN(CC2)C3)C1 1040761648 UWSGZHTVDXHBCU-BLLLJJGKSA-N 320.393 -0.679 30 20 DBED N#Cc1cncc(N2C[C@@H](O)[C@H](NC(=O)C3CCOCC3)C2)n1 1040905380 XJSLDGNNTSAQLD-CHWSQXEVSA-N 317.349 -0.559 30 20 DBED N#Cc1cccnc1N1C[C@@H](O)[C@H](NC(=O)Cc2cnoc2)C1 1041294120 DBFCAFWVPBHJMO-CHWSQXEVSA-N 313.317 -0.150 30 20 DBED C#CCN1CC[C@H]2CCN(C(=O)CN3CCCNC3=O)C[C@@H]21 1042137022 YIXKAAMTNGPMCC-KBPBESRZSA-N 304.394 -0.042 30 20 DBED C[C@H](c1nnnn1C)N1CC(N(C)C(=O)c2ccc(C#N)[nH]2)C1 1042629256 WZRFKMPGBMZOFQ-SECBINFHSA-N 314.353 -0.073 30 20 DBED CS[C@H](C)C(=O)N1CC(O)(CNC(=O)c2c[nH]c(C#N)c2)C1 1042668942 BPAHVXIDURHSMJ-SECBINFHSA-N 322.390 -0.059 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)C[C@](C)(O)C=C)C1 1042812453 OMROINNSVQGDTC-IUODEOHRSA-N 324.377 -0.959 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)c2cc[n+]([O-])cc2)C1 1042936449 JEGLEBNREKTBSD-UHFFFAOYSA-N 317.345 -0.718 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)[C@@H]2CCO[C@H]2C)C1 1042937870 MGTNUEMPZOXVNX-QWHCGFSZSA-N 308.378 -0.240 30 20 DBED CO[C@H](C(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1)C1CC1 1042957975 CMNBPUXPUOCVPC-AWEZNQCLSA-N 306.362 -0.486 30 20 DBED CO[C@@H]1CN(c2ncccc2C#N)C[C@H]1NC(=O)c1cnn[nH]1 1043025161 KSHRUDDKIGBSNQ-VXGBXAGGSA-N 313.321 -0.295 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)CCCC(C)=O)C1 1043032877 KXKFHLQRCAGTFS-UHFFFAOYSA-N 324.377 -0.525 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)c2cccn2C)C1 1043032987 OEACMPKIOPRSHC-UHFFFAOYSA-N 319.361 -0.632 30 20 DBED CCn1cnc(C(=O)N2CC(O)(CNC(=O)[C@H](C)C#N)C2)c1 1045545880 CVMGKKADLQYTJA-SNVBAGLBSA-N 305.338 -0.634 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)CCc2cncnc2)C1 1045554692 HMVKTLRDROIYDS-LLVKDONJSA-N 317.349 -0.742 30 20 DBED N#CCN1[C@H]2CC[C@H]1CN(C(=O)Cn1ccc(O)nc1=O)CC2 1045809914 BKDQBRHDDJLELG-RYUDHWBXSA-N 317.349 -0.462 30 20 DBED C#CCN1CC[C@@H](N2CCN(C(=O)c3ccnn3C)CC2)C1 1046010584 OVUHJOQWVVKHCZ-CQSZACIVSA-N 301.394 -0.115 30 20 DBED C#CCCN1C[C@H]2C[C@@H](NC(=O)CN3C(=O)CNC3=O)C[C@H]1C2 1047197811 MPHAQHZSPSGLJD-YNEHKIRRSA-N 318.377 -0.469 30 20 DBED CN(C)C(=O)CN1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C#N)[nH]2)C1 1047353168 BTQXNNYYSSUEPE-STQMWFEESA-N 319.365 -0.908 30 20 DBED N#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)CN1CC(=O)NC1=O 1049791656 XJVIMAMYZRXJBS-GHMZBOCLSA-N 305.338 -0.873 30 20 DBED C[C@@H](C(=O)N1CC2(CCN(CC#N)CC2)C1)N1C(=O)CCC1=O 1050537939 BPPIWXUNHLMXHE-LBPRGKRZSA-N 318.377 -0.028 30 20 DBED C=C(Cl)CN1CCOC[C@H]1CNC(=O)[C@@H]1CN(C)CCO1 1050859550 SGFAJXCYOUKLKI-OLZOCXBDSA-N 317.817 -0.114 30 20 DBED N#Cc1ccc(NC2CC(CNC(=O)[C@H]3CNC(=O)N3)C2)cn1 1052072011 AZRVWLXPMOAZMO-UTVJUBTNSA-N 314.349 -0.059 30 20 DBED CC#CCN1CCC[C@H](NC(=O)Cn2ccc(O)nc2=O)CC1 1052538038 QASGXOOWGULNLL-ZDUSSCGKSA-N 318.377 -0.057 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)CCNC(N)=O)C[C@H]1C 1052572819 PGDSLDVEDKURGM-CHWSQXEVSA-N 322.409 -0.085 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)[C@@H]1CC[C@H]1C(N)=O)CCO2 1053373538 PRWKWBJUHTTWDE-CHWSQXEVSA-N 305.378 -0.566 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)C(=O)N1CC[C@H](C)C1)CCO2 1053502432 UKEKPZPAZGXJRV-AWEZNQCLSA-N 319.405 -0.209 30 20 DBED Cc1nc(N2CCN(C(=O)c3nnn(C)n3)CC2)ccc1C#N 1055979068 CHCDSTJFVFVLJW-UHFFFAOYSA-N 312.337 -0.252 30 20 DBED Cc1ncc(C(=O)N2CCC[C@@](CO)(NC(=O)[C@H](C)C#N)C2)[nH]1 1056094908 YMDGUVYVELYCAN-MEBBXXQBSA-N 319.365 -0.039 30 20 DBED CN(c1ccc(C#N)cn1)[C@@H]1CCN(C(=O)c2nnn(C)n2)C1 1057004763 VHRCHPFEMNZWLY-LLVKDONJSA-N 312.337 -0.172 30 20 DBED C#CCOCCC(=O)N(CCO)CCNC(=O)CCCOC 1057580854 IGVMSKCAMOGOLQ-UHFFFAOYSA-N 314.382 -0.610 30 20 DBED C=CCCOCC(=O)NCCN(CCO)C(=O)c1c[nH]nc1C 1058270721 QVKDXLITHMGEDN-UHFFFAOYSA-N 324.381 -0.138 30 20 DBED CC(=O)N1CC(C(=O)N[C@@H]2CCN(c3nccnc3C#N)C2)C1 1058335980 KDZYXWJNHYWIKA-GFCCVEGCSA-N 314.349 -0.479 30 20 DBED N#Cc1cncc(N2CC[C@@H](NC(=O)[C@@H]3CCNC(=O)C3)C2)n1 1058336270 RPKPAMKNJDQZKF-GHMZBOCLSA-N 314.349 -0.431 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)[C@H](C)Cc1cnc[nH]1 1058659241 VSNRPMQQPLMMMU-VXGBXAGGSA-N 321.381 -0.315 30 20 DBED CCN1CCCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N 1058660856 JUIGGKPZWPRLGH-KBPBESRZSA-N 324.425 -0.042 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)[C@@H](COC)OC 1058757230 WHECDUWEXSOIKZ-CYBMUJFWSA-N 314.382 -0.612 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)[C@@H](C)OCCOC 1058904164 PJZCZUSLNSWRIX-CYBMUJFWSA-N 316.398 -0.059 30 20 DBED Cc1nonc1CC(=O)N[C@H]1C[C@@H](N=c2cc[nH]c(C#N)n2)C1 1059709298 MMLFMRSCWNYTRW-AOOOYVTPSA-N 313.321 -0.237 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H]1COCCN1C(=O)C1CCC1 1061516135 SKGGHKKAKLDAOM-CYBMUJFWSA-N 321.377 -0.730 30 20 DBED C#CCO[C@H](C)C(=O)N1CCOC[C@H]1CNC(=O)c1ncc[nH]1 1061558170 LMLGIPUSAAYXOR-VXGBXAGGSA-N 320.349 -0.595 30 20 DBED C=CCO[C@@H](C)C(=O)NC[C@@H]1COCCN1C(=O)CCOC 1061668531 RRZPTMGSWQHMHW-QWHCGFSZSA-N 314.382 -0.042 30 20 DBED Cc1nnccc1C(=O)N1CCOC[C@@H]1CNC(=O)[C@H](C)C#N 1061848971 XMYCPNRLYMYTGP-PWSUYJOCSA-N 317.349 -0.098 30 20 DBED CS(=O)(=O)CC(=O)NCC1(NC(=O)C#CC2CC2)CCC1 1062655697 PQEVZKKDGAOSGX-UHFFFAOYSA-N 312.391 -0.401 30 20 DBED CN(C(=O)[C@H]1COC(=O)N1)[C@H]1CCN(c2ccc(C#N)nn2)C1 1062927941 BLJANWUJXQNVCM-WDEREUQCSA-N 316.321 -0.506 30 20 DBED CN(C(=O)[C@H]1CNC(=O)N1)[C@@H]1CCN(c2ncccc2C#N)C1 1063025409 VTGOAJGQQJOSLA-VXGBXAGGSA-N 314.349 -0.328 30 20 DBED C[C@H]1C[C@@H](N=c2cc[nH]c(C#N)n2)CCN1C(=O)CC(N)=O 1064747259 JRFUUZGGZNOZAC-UWVGGRQHSA-N 302.338 -0.563 30 20 DBED C=CCCCC(=O)NC[C@@H]1CN(C(=O)Cn2cnnn2)CCO1 1064841538 VHCGKGSQLCBQSZ-GFCCVEGCSA-N 322.369 -0.627 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H]1CN(C(=O)C(C)C)CCO1 1064865214 RQBXUBIQCMGKEB-LBPRGKRZSA-N 309.366 -0.875 30 20 DBED C#CCCCC(=O)N1CCO[C@H](CNC(=O)[C@@H](C)CC(N)=O)C1 1065090726 OKQXGQARSDEIOB-QWHCGFSZSA-N 323.393 -0.355 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)Cc2cnn(C)c2)C1 1065557656 TXRNTFBDTIMXAB-YPMHNXCESA-N 319.365 -0.534 30 20 DBED C[C@H](Nc1nccnc1C#N)[C@@H]1CCN(C(=O)CC(N)=O)C1 1065684529 QWMZJSAGNBXIPK-VHSXEESVSA-N 302.338 -0.127 30 20 DBED N#Cc1ccc(NCC2(O)CCN(C(=O)C(N)=O)CC2)nc1 1067485140 NROUGVXSFQSAGJ-UHFFFAOYSA-N 303.322 -0.796 30 20 DBED N#Cc1nccnc1N1C[C@H]2C[C@@H](NC(=O)C(N)=O)CC[C@H]2C1 1068264469 DQCLFYIDPZSRDQ-AXFHLTTASA-N 314.349 -0.445 30 20 DBED C[C@@H]1C[C@@H](N=c2cc[nH]c(C#N)n2)CN1C(=O)c1cn(C)nn1 1069087646 SCRBJLVDIITAIK-NXEZZACHSA-N 312.337 -0.386 30 20 DBED CC#CCN1CCn2ncc(CNC(=O)[C@@H]3COCCO3)c2C1 1069854025 QMMXWZXSUXSTCI-HNNXBMFYSA-N 318.377 -0.246 30 20 DBED C=CCN[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2C)C[C@@H]1n1ccnn1 1070250975 ZQMNNVBFNQTZME-AGIUHOORSA-N 318.381 -0.574 30 20 DBED C#CCCN1C[C@H]2C[C@H]3CN(C(=O)[C@H]4COCCO4)C[C@@]3(C1)O2 1070767099 QAGGSQXFUBYEIO-KLZNWCGWSA-N 320.389 -0.273 30 20 DBED CC#CCN1C[C@H]2C[C@H]3CN(C(=O)[C@H]4C[C@H]4C(N)=O)C[C@@]3(C1)O2 1070855080 BNPXFZKGJJEOPA-GMIGGYDBSA-N 317.389 -0.567 30 20 DBED C[C@@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1NC(=O)C#CC1CC1 1072165799 SWFJAPGZRDZHSP-PWSUYJOCSA-N 302.338 -0.950 30 20 DBED C[C@@H](C#N)C(=O)NC1(C)CCN(C(=O)Cn2nccn2)CC1 1073055691 VFSYCWMHVVSBMJ-NSHDSACASA-N 304.354 -0.065 30 20 DBED C=CCCN1CCO[C@H]2CCN(C(=O)c3nnn(C)n3)C[C@H]21 1074316998 IRQWPSVXQHMRKH-NEPJUHHUSA-N 306.370 -0.299 30 20 DBED C=CCCC(=O)N1CCC(O)(CNC(=O)[C@@H]2CNC(=O)N2)CC1 1074511439 IQOMFJHZYGRBNJ-NSHDSACASA-N 324.381 -0.896 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(C(=O)c2nnn(C)n2)[C@H](C)C1 1074882461 WTCNEDMRGPXEKF-MNOVXSKESA-N 322.369 -0.478 30 20 DBED C=CCCC(=O)NCC[C@H](C)NC(=O)CCS(=O)(=O)NC 1075884694 LAPYLYIYLPTREE-NSHDSACASA-N 319.427 -0.097 30 20 DBED N#CCN1C[C@@H]2CCN(C(=O)Cn3ccc(O)nc3=O)[C@@H]2C1 1076003106 RHMOVYGSOWJTAN-WDEREUQCSA-N 303.322 -0.995 30 20 DBED C[C@@H](CCNC(=O)[C@H]1COC(=O)N1)NC(=O)c1c[nH]c(C#N)c1 1076344202 GFJDZYIIISJVIB-GZMMTYOYSA-N 319.321 -0.381 30 20 DBED C[C@@H](CCNC(=O)Cn1nccn1)NC(=O)c1cc(C#N)c[nH]1 1076694001 GCKCNWHDJHCSFW-JTQLQIEISA-N 315.337 -0.197 30 20 DBED C=CCn1cccc1C(=O)N[C@@H]1CN([C@@H](C)C(N)=O)C[C@H]1O 1077138243 ADLCDXGSSIRISO-DMDPSCGWSA-N 306.366 -0.677 30 20 DBED C#Cc1ccccc1CC(=O)N[C@@H]1CN([C@@H](C)C(N)=O)C[C@H]1O 1078082284 ILBVHOTUBHJFOT-NILFDRSVSA-N 315.373 -0.755 30 20 DBED C#CCN[C@H]1C[C@H]2CC[C@H]1N(C(=O)C1CC(=O)NC(=O)C1)C2 1079063496 ZTXDAUVKHQQJSF-KGYLQXTDSA-N 303.362 -0.359 30 20 DBED C=CCOCC(=O)N(CC)C1CN(C(=O)[C@@H]2COC(=O)N2)C1 1079490598 WRVPVPJEOWUIIT-NSHDSACASA-N 311.338 -0.643 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2nonc2C)C[C@H]1O 1081340482 CWAJQXKJKKXLIW-GHMZBOCLSA-N 324.337 -0.870 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@H](CNC(=O)C2=CCOCC2)C1 1081428670 UBYHANPTXMMDAN-KGLIPLIRSA-N 324.377 -0.529 30 20 DBED CN(C)CCCC(=O)NC[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 1081701674 YVUDDJRTZLGLAM-CABCVRRESA-N 321.421 -0.323 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@H](CNC(=O)Cc2cnc[nH]2)C1 1081800920 WWRZTSBKXJBQAY-DGCLKSJQSA-N 322.365 -0.910 30 20 DBED C=CCn1cc(C(=O)N2C[C@@H](N[C@@H](CC)C(N)=O)[C@H](C)C2)nn1 1082791246 IAGQEQNECKEXKK-GRYCIOLGSA-N 320.397 -0.222 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)Cc2nnn(C(C)(C)C)n2)C1 1083486331 TYKDXTDBNHRPBS-NEPJUHHUSA-N 322.413 -0.292 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)c3nc(O)nc(O)c3OC)[C@@H]2C1 1084773038 ABBAQRADPLYNTR-NXEZZACHSA-N 318.333 -0.324 30 20 DBED C=CCN[C@@H]1CCCC[C@H]1NC(=O)Cn1ccc(=O)n(C)c1=O 1085217878 VVMWOPZALFYDEH-CHWSQXEVSA-N 320.393 -0.250 30 20 DBED COCCN1C[C@H](C(=O)NC[C@H]2C[C@H](NCC#N)C2)CC1=O 1086381400 VCRZRZWRCAVOFK-JHJVBQTASA-N 308.382 -0.511 30 20 DBED C=CCN1CC[C@@H]2CN(C(=O)Cn3cnc(C(N)=O)n3)C[C@@H]2C1 1087972169 PKDDPAHAODTZMT-NEPJUHHUSA-N 318.381 -0.657 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)c3nnc(O)nc3O)C[C@@H]2C1 1088027762 CVOKTOJBUVYUSF-ZJUUUORDSA-N 303.322 -0.690 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)Cn3ccc(O)nc3=O)C[C@@H]2C1 1088030939 QRWLSEGGIGXFJV-OLZOCXBDSA-N 316.361 -0.638 30 20 DBED C#CCN1CC[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)CC(C)(C)C1 1089505363 FRQDOPOUEAQNIR-RYUDHWBXSA-N 320.393 -0.176 30 20 DBED C#CCCN1CC[C@H](NC(=O)Cn2cccc(C)c2=O)[C@H](O)C1 1090262943 APXKNFUDVCBPHR-LSDHHAIUSA-N 317.389 -0.269 30 20 DBED CC[C@@H](C(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1O)N(C)C 1090455359 SVIXVXVFMOIBHJ-FRRDWIJNSA-N 318.381 -0.646 30 20 DBED C=CCCN1CC[C@H](NC(=O)c2ccn3nnnc3c2)[C@@H](O)C1 1090486628 OQRIFBVLRKVXSU-STQMWFEESA-N 316.365 -0.135 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2cc(C(N)=O)c[nH]2)[C@@H](O)C1 1090676484 OXCQFHVNMSAIMW-YPMHNXCESA-N 304.350 -0.698 30 20 DBED CC(=O)N[C@@H](C)C(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@@H]1O 1091064266 FQORTJKNSGUSGP-BHYNMZESSA-N 317.349 -0.856 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CN(c2ccc3nccnc3n2)C[C@@H]1O 1091082942 OJVLVOQMCSBFRR-JLLWLGSASA-N 312.333 -0.150 30 20 DBED CO[C@H]1C[C@H](C(=O)NCC2CC(NCC#N)C2)N(C(C)=O)C1 1091166095 FQRVZYIVENJHBS-CLRIEMFWSA-N 308.382 -0.370 30 20 DBED COC[C@@H](OC)C(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@@H]1O 1091178135 UMAKHIRZOSDGGN-HZSPNIEDSA-N 320.349 -0.720 30 20 DBED C#CCNC1CC(CNC(=O)c2cc(=O)n3[nH]cnc3n2)C1 1091325040 YYNMSMRUAGWJDC-UHFFFAOYSA-N 300.322 -0.851 30 20 DBED CC(=O)NCC(=O)N[C@H]1CCN(c2ccc(C#N)cn2)C[C@@H]1O 1092130405 VUHNXYBJWRHWSG-STQMWFEESA-N 317.349 -0.855 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@H]2CN(c3cncc(C#N)n3)C[C@H]12 1093266949 SKSYGGHVEFTVCI-RYUDHWBXSA-N 324.344 -0.961 30 20 DBED CNC(=O)NCC(=O)NC1[C@@H]2CN(c3ncccc3C#N)C[C@@H]12 1093362796 XXQSJBXCHRMFBB-GHMZBOCLSA-N 314.349 -0.567 30 20 DBED CC(=O)N1CCC[C@H]1C(=O)NCCN=c1cc[nH]cc1C#N 1093782535 FDXGFHGZYIZMPD-AWEZNQCLSA-N 301.350 -0.086 30 20 DBED COc1c(C(=O)NCCN=c2cc[nH]cc2C#N)cnn1C 1093791057 YQIJNWCBRFBXJJ-UHFFFAOYSA-N 300.322 -0.041 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)c3cnsn3)CC2=O)C1 1094707735 NVKMWDSXGCPFRW-SECBINFHSA-N 307.379 -0.261 30 20 DBED CC(=O)NCC(=O)N1CCC(Nc2cnc(C#N)cn2)CC1 1095212528 SGERYTABUFUKRP-UHFFFAOYSA-N 302.338 -0.113 30 20 DBED C=CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN1CCCS1(=O)=O 1095499975 DLKKEVXFLLMTOH-AGIUHOORSA-N 313.423 -0.071 30 20 DBED CO[C@H](C)C(=O)NCCN1CCN(c2cnc(C#N)cn2)CC1 1096270859 LHEDMUCSVHOUIY-GFCCVEGCSA-N 318.381 -0.379 30 20 DBED CCc1nc(C#N)cc(N2CCC[C@H](CNC(=O)C(N)=O)C2)n1 1097340679 VBNIXRGVZMDHKJ-SNVBAGLBSA-N 316.365 -0.271 30 20 DBED C[C@H](CNC(=O)C[C@@H]1CCNC1=O)Nc1cncc(C#N)n1 1098097423 FGKCWTZCFBBALS-ZJUUUORDSA-N 302.338 -0.209 30 20 DBED Cn1cc(C(=O)N[C@]23CCC[C@H]2CN(CC#N)C3)c(O)nc1=O 1099158315 HRKUDPSRUNZURY-BONVTDFDSA-N 317.349 -0.406 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)c2ccn(C)c2)[C@H](O)C1 1099762762 ATEUSOOCSPXULH-ZIAGYGMSSA-N 320.393 -0.508 30 20 DBED N#CCNC(=O)CN1CC[C@H](NC(=O)Cc2ccoc2)[C@@H](O)C1 1099787142 UGNJZKUIOSGOAU-STQMWFEESA-N 320.349 -0.987 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)c2cn(C)nn2)[C@H](O)C1 1099802573 XSZJRQFUZYBYKR-DGCLKSJQSA-N 309.370 -0.817 30 20 DBED Cc1occc1C(=O)NCC(=O)N[C@H]1CCN(CC#N)C[C@@H]1O 1099847495 NOFNJTIOOPHCQV-STQMWFEESA-N 320.349 -0.607 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)c2[nH]nnc2C)[C@@H](O)C1 1099942401 RCOPQRFRZXKVFH-RYUDHWBXSA-N 309.370 -0.519 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CCCS(C)(=O)=O)[C@@H](O)C1 1100031385 DRXBVDUMRRWKSA-OLZOCXBDSA-N 316.423 -0.614 30 20 DBED C#CCN1CC[C@H](NC(=O)C(=O)Nc2cc(C)on2)[C@@H](O)C1 1100111486 FILFWWKJHVTSKC-QWRGUYRKSA-N 306.322 -0.894 30 20 DBED C#CCN1CC[C@@H](NC(=O)CCC(=O)N(CC)CC)[C@H](O)C1 1100122755 WGJHANIEQXFUPC-ZIAGYGMSSA-N 309.410 -0.180 30 20 DBED CN(C)[C@H](C(=O)NCC1CC(NCC(=O)NCC#N)C1)C1CC1 1100407736 HNQUOAZUIKYXJN-HGMXIMQMSA-N 321.425 -0.549 30 20 DBED CCN(CCNC(=O)[C@@]1(C)CCNC1=O)c1nccnc1C#N 1100716249 RRDFZKDETRJLSV-HNNXBMFYSA-N 316.365 -0.183 30 20 DBED CN(CCNc1cnc(C#N)cn1)C(=O)CNC(=O)C1CC1 1101506331 WRYYSOFFNKCKRR-UHFFFAOYSA-N 302.338 -0.255 30 20 DBED C#CCNC(=O)CC(=O)N(C)CCNc1nccc(OC)n1 1101551193 XYRFODXPQLFMRH-UHFFFAOYSA-N 305.338 -0.505 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)[C@H](C)OCC#C)C1 1101964736 XCWHFBXWJPJSIL-QLFBSQMISA-N 319.405 -0.542 30 20 DBED COCC(=O)N(C)CC(=O)N(C)CCNc1ccc(C#N)nn1 1101999423 BZYBBIWDLGNAGO-UHFFFAOYSA-N 320.353 -0.677 30 20 DBED CCCN(C(=O)C(N)=O)[C@@H]1CCN(c2cncc(C#N)n2)C1 1102261980 NJWKYZUNOVGKCZ-LLVKDONJSA-N 302.338 -0.349 30 20 DBED Cc1cc(C#N)nc(N2CCC[C@@H](CCNC(=O)C(N)=O)C2)n1 1102942609 ZTVOPKQWZZBNMY-NSHDSACASA-N 316.365 -0.135 30 20 DBED CC[C@@H](CNC(=O)C1(C(=O)NC)CC1)N=c1cc[nH]c(C#N)n1 1103123582 BPQHCNLGCCDBHB-JTQLQIEISA-N 316.365 -0.397 30 20 DBED C[C@@H](CN=c1cc[nH]cc1C#N)CNC(=O)[C@@H]1COCCO1 1103880265 WXZXOAUTKRJRQB-FZMZJTMJSA-N 304.350 -0.045 30 20 DBED CO[C@H](C)C(=O)NC[C@@H]1CN(c2nccnc2C#N)CCO1 1104292814 INZLZOVAOMEONI-GHMZBOCLSA-N 305.338 -0.295 30 20 DBED C[C@H](CNc1cnc(C#N)cn1)N(C)C(=O)[C@H]1C[C@H]1C(N)=O 1104827048 NGAUYJDGDFLGJF-IEBDPFPHSA-N 302.338 -0.272 30 20 DBED CN(CCN(C)c1cnc(C#N)cn1)C(=O)[C@H]1COC(=O)N1 1105393389 UGSZIECBRFQHLA-SNVBAGLBSA-N 304.310 -0.649 30 20 DBED N#Cc1ccc(NC[C@@H]2CCC[C@@H]2NC(=O)CNC(N)=O)nn1 1105653973 CTQIGWQFGBDARH-ONGXEEELSA-N 317.353 -0.287 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)Cn2cccn2)cn1 1105721525 CASNYEORLZIAHT-ZDUSSCGKSA-N 300.322 -0.261 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](O)CNC(=O)Cc2cc[nH]n2)n1 1105763108 ZORBAZVNNMTWPV-LBPRGKRZSA-N 315.337 -0.489 30 20 DBED Cc1cc(C(=O)NC[C@@H](O)CNc2ccc(C#N)nn2)ncn1 1105788507 LEHKZIDGVBLHFR-NSHDSACASA-N 313.321 -0.351 30 20 DBED C#CCCCC(=O)NC[C@H](O)CNc1nc(C)nc(N(C)C)n1 1105798616 HNUNNLPVJNAQBF-LBPRGKRZSA-N 320.397 -0.061 30 20 DBED CCn1nncc1C(=O)NC[C@@H](O)CNc1ccc(C#N)cn1 1105822457 QGFJDKHCXCCLIP-NSHDSACASA-N 315.337 -0.233 30 20 DBED COc1ccc(C(=O)NC[C@@H](O)CN=c2cc[nH]c(C#N)n2)o1 1105940835 KQODTQDOZSZILL-VIFPVBQESA-N 317.305 -0.425 30 20 DBED Cc1ncc(CC(=O)NC[C@@H](O)CNc2cnc(C#N)cn2)o1 1106003895 JXVIZRCOYCGUCY-NSHDSACASA-N 316.321 -0.224 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@H]1C 1106772812 VLUSLJFWICROJO-VXGBXAGGSA-N 306.366 -0.754 30 20 DBED C[C@]1(CNC(=O)c2cccnc2C(N)=O)CN(CC#N)CCO1 1108413243 VLSVBLHRNVCMNE-HNNXBMFYSA-N 317.349 -0.475 30 20 DBED CCC(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC#CCOC 1109076168 RFYNTYVHFIBUIY-RDBSUJKOSA-N 307.394 -0.116 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCn1cnccc1=O 1109906188 PBJDOMGMEJOJTN-RDBSUJKOSA-N 300.362 -0.012 30 20 DBED Cc1cc(=NC2(CNC(=O)[C@H]3C[C@H]3C(N)=O)CC2)c(C#N)c[nH]1 1110347321 PYQPSWGQGPRNQE-NEPJUHHUSA-N 313.361 -0.134 30 20 DBED CN(C)C(=O)CC(=O)NCC1(Nc2cnc(C#N)cn2)CC1 1110362099 SFUPSQLHCWBHOO-UHFFFAOYSA-N 302.338 -0.113 30 20 DBED C=CCOCC(=O)N(C)[C@H]1CN(c2nccnc2C#N)C[C@@H]1O 1111175668 OEABJOMGNVOJCX-STQMWFEESA-N 317.349 -0.441 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@@H](NCC(N)=O)[C@H](C(F)(F)F)C1 1112100977 RZBUIBZWLYXEJK-OPRDCNLKSA-N 321.299 -0.511 30 20 DBED C[C@H](NC(=O)CCNC(N)=O)[C@H](C)Nc1ccc(C#N)nn1 1113039774 VDPZBZSWRRLYMY-IUCAKERBSA-N 305.342 -0.288 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)Cn2ccc(C)n2)CC1 1113355860 TYTSSHOLXKWOKU-CQSZACIVSA-N 317.393 -0.526 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)[C@@H]2CCC(=O)N2)CC1 1113560612 SWYJZLUJCHSJOL-RYUDHWBXSA-N 308.382 -0.900 30 20 DBED C[C@@H](CNC(=O)[C@@]1(C)CCNC1=O)N(C)c1cnc(C#N)cn1 1113872119 ISCJVGGUINZSNC-BONVTDFDSA-N 316.365 -0.185 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)CC3CCOCC3)[C@@H]2C1 1114069785 OOKKFSCRBPORTI-ZIAGYGMSSA-N 319.405 -0.401 30 20 DBED CC(C)C#CC(=O)NC1[C@@H]2CN(CCN3C(=O)CNC3=O)C[C@@H]12 1114247973 SAQWWARVQCHBAM-VXGBXAGGSA-N 318.377 -0.756 30 20 DBED CC(C)(C)C#CC(=O)NC1[C@H]2CN(CC(=O)NCC#N)C[C@H]12 1114258589 VUULIJWOZIOMBE-RYUDHWBXSA-N 302.378 -0.278 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)CO[C@@H]3CCOC3)[C@@H]2C1 1114278597 UJHMGRHFGZYMGC-MGPQQGTHSA-N 308.378 -0.512 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)[C@@H](C(C)C)N(C)C)[C@@H]2C1 1114799210 SVEAEZFEIXRMSP-XJKCOSOUSA-N 322.453 -0.079 30 20 DBED CNC(=O)NCC(=O)N[C@H](C)CCCNc1nccnc1C#N 1115108958 UOUDWTDWGHBGMX-SNVBAGLBSA-N 319.369 -0.026 30 20 DBED O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1CCC[C@@H]1CO 1116091984 OLXBIMFTIOCIIE-LRZCVGBLSA-N 308.338 -0.321 30 20 DBED COCC#CC(=O)N1CCN(CC(=O)Nc2nncs2)CC1 1118596112 FHDIGVCYYUPSAI-UHFFFAOYSA-N 323.378 -0.729 30 20 DBED C[C@H](CN(C)C(=O)C1CS(=O)(=O)C1)Nc1cncc(C#N)n1 1120122436 FBGKADVMGDCAOT-SECBINFHSA-N 323.378 -0.348 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)CN2CCCC2=O)cn1 1121026149 WUXNQNKNWYKWTB-ZDUSSCGKSA-N 317.349 -0.535 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)Cc2ncc[nH]2)nc1 1121977377 POKJZKWIWQOXDB-LLVKDONJSA-N 300.322 -0.192 30 20 DBED C[C@H]1CCCN1CC(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1 1122528900 WVGOKCOLSAVTQA-NWDGAFQWSA-N 318.381 -0.857 30 20 DBED CC[C@@H](NC(C)=O)C(=O)NC[C@H](CO)Nc1ccc(C#N)cn1 1122643077 BJJXWENODIILMM-CHWSQXEVSA-N 319.365 -0.243 30 20 DBED CN(C[C@H](O)CNc1cnc(C#N)cn1)C(=O)Cc1cc[nH]n1 1124186196 ZVDALMIGFORVFO-GFCCVEGCSA-N 315.337 -0.455 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]cc1C#N)C(=O)c1cncnc1 1124329845 UGEMHOFIMSZLQH-CYBMUJFWSA-N 312.333 -0.290 30 20 DBED CN(C[C@H](O)CNc1cnc(C#N)cn1)C(=O)c1ccncn1 1124466432 QNUJPTJWNIZLKL-LLVKDONJSA-N 313.321 -0.317 30 20 DBED C[C@H](CC(N)=O)C(=O)N(C)C[C@H](O)CNc1ccc(C#N)cn1 1124694140 MAMHXUYRIYDBJH-ZYHUDNBSSA-N 319.365 -0.304 30 20 DBED COC[C@H](C)OC[C@H](O)CNCCNC(=O)c1cc(C#N)c[nH]1 1125360706 JCGYLFRPHUSOKX-WCQYABFASA-N 324.381 -0.382 30 20 DBED N#Cc1cc(C(=O)NCCNCc2nnc3n2CCOC3)c[nH]1 1125987745 BPRAEGGFAISMRD-UHFFFAOYSA-N 315.337 -0.472 30 20 DBED C=C(C)CN(CC)C(=O)[C@H](C)NCCNC(=O)c1cnn[nH]1 1130752369 XENVHYYZXHKKLD-NSHDSACASA-N 308.386 -0.063 30 20 DBED N#Cc1ccccc1CNCCNC(=O)c1nnc(O)nc1O 1130863101 KMCVAMCAICTXTN-UHFFFAOYSA-N 314.305 -0.326 30 20 DBED C#CCNC(=O)CN1C[C@H](NC(=O)CCCC(N)=O)CC[C@H]1C 1132533587 PACSXHMNWHGUFF-CHWSQXEVSA-N 322.409 -0.640 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1c[nH]nc1[C@H]1CCCO1 1132775227 SOMGWWHETOOUOU-GFCCVEGCSA-N 319.365 -0.670 30 20 DBED COCCS(=O)(=O)CC(=O)N[C@@H](C)C[C@@H](C)NCC#N 1134749324 SOAGVTDMHZFOGW-MNOVXSKESA-N 305.400 -0.556 30 20 DBED C#CCN[C@@H](C)C[C@H](C)NC(=O)CCCN1C(=O)CNC1=O 1146216191 IYKNZZMINXZZOF-RYUDHWBXSA-N 308.382 -0.176 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC2(CCN(Cc3nc(O)n[nH]3)C2)C1 1147446630 WLABBKKATSBMLW-AWEZNQCLSA-N 321.381 -0.128 30 20 DBED C#Cc1ccc(C(=O)NCCN[C@H](C)C(=O)NC(=O)NC)nc1 1148377458 XIBWIXMYNVLWJA-SNVBAGLBSA-N 317.349 -0.774 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CN(Cc2ncnn2C)CCCO1 1149409814 VOGJDKZWLFMICB-NWDGAFQWSA-N 306.370 -0.318 30 20 DBED N#CCN1CCCO[C@@H](CNC(=O)Cn2ccccc2=O)C1 1150699724 MWHKWBMKJLQLST-ZDUSSCGKSA-N 304.350 -0.421 30 20 DBED CC[C@@H](C)C(=O)NCC(=O)NC[C@H]1CN(CC#N)CCCO1 1150732181 ZDPSPNYSWJGUBU-OLZOCXBDSA-N 310.398 -0.121 30 20 DBED C#CCNC(=O)CNCCNC(=O)COc1ccccc1F 1150942996 KKXBYKMXXOZBNH-UHFFFAOYSA-N 307.325 -0.340 30 20 DBED C=CCO[C@H](C)C(=O)NCCNCC(=O)N1CCO[C@H](C)C1 1153148708 JVXGITFFYGAMTD-CHWSQXEVSA-N 313.398 -0.469 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)c1cncn1C 1154189696 LDCJYXHBGWSQAN-GFCCVEGCSA-N 305.382 -0.390 30 20 DBED C#CCNC(=O)CC(=O)NCCCN[C@@H](C)c1csnn1 1156847623 BWPCVHLDULTXGU-JTQLQIEISA-N 309.395 -0.166 30 20 DBED C#CCNC(=O)CN1CC=C(CCNC(=O)c2ncc[nH]2)CC1 1160048769 ZIJYPLMHUNMNLO-UHFFFAOYSA-N 315.377 -0.089 30 20 DBED C=CCOCCNCC1(CCNC(=O)Cn2cnnn2)CC1 1163355099 SVFPTRGDDROJGH-UHFFFAOYSA-N 308.386 -0.248 30 20 DBED CN1CCC[C@H]1C(=O)NCCC1(CNCC(=O)NCC#N)CC1 1163820205 DPXUWQMPHXQRBM-ZDUSSCGKSA-N 321.425 -0.404 30 20 DBED C#CCNC(=O)CNCC1(CCNC(=O)c2cnon2)CC1 1167495520 RGYOFWOSVPGIGR-UHFFFAOYSA-N 305.338 -0.691 30 20 DBED C[C@@H](CCCCNCC#N)NC(=O)CCn1ncn(C)c1=O 1171912442 DBOPZKWNVXSQIV-LBPRGKRZSA-N 308.386 -0.240 30 20 DBED C=CCCCN1CCO[C@@H]2CCN(C(=O)Cn3ncnn3)C[C@@H]21 1177004806 CEYJJJLEOHRJLB-UONOGXRCSA-N 320.397 -0.059 30 20 DBED C=CCO[C@H](C)C(=O)N1CC[C@H](NCC(=O)NC(N)=O)[C@@H]1C 1180269064 LIAIEDWJPOHHCV-AXFHLTTASA-N 312.370 -0.649 30 20 DBED COCC#CCNC[C@H]1CCN(C(=O)Cn2cnnn2)C[C@@H]1C 1183849769 KNCQPFDHLMXODM-UONOGXRCSA-N 320.397 -0.603 30 20 DBED CCS(=O)(=O)NCCN(C)[C@@H]1CCN(C(=O)[C@H](C)C#N)C1 1189401093 RYWNQBJBHZXPBR-VXGBXAGGSA-N 316.427 -0.382 30 20 DBED COCC#CCN(C)[C@H]1CCN(C(=O)C2CS(=O)(=O)C2)C1 1190335799 BARPNBBBRHQJCD-ZDUSSCGKSA-N 314.407 -0.787 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)Cc2nnc(C)o2)C1 1192624127 GMEYLTFBSCBQFG-VXGBXAGGSA-N 310.354 -0.716 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2cnc(C)cn2)C[C@H]1O 1192878389 CWCZGFFHCSUQEX-HUUCEWRRSA-N 318.377 -0.514 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)c2cnnn2CC)CC1 1195717251 MFFVIQLZNDWQIR-UHFFFAOYSA-N 320.397 -0.252 30 20 DBED C=CCCC1(C(=O)N[C@@H]2CN(Cc3nnn(C)n3)C[C@H]2O)CC1 1195906311 WGXMWVHJVIZJBS-VXGBXAGGSA-N 320.397 -0.382 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)C(C)(C)S(C)(=O)=O)C1 1196575677 AOPVBAVTRIEZLM-NXEZZACHSA-N 324.830 -0.277 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)C[C@H]2CCC(=O)N2)CCCO1 1201621946 RGKDZTCZJJOSPN-ZIAGYGMSSA-N 307.394 -0.115 30 20 DBED C[C@H]1CCN(CC(=O)N2CCC(NCC(=O)NCC#N)CC2)C1 1202495274 BXIASMLBIMBGIW-ZDUSSCGKSA-N 321.425 -0.451 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCCN(C(=O)c2ncc[nH]2)C1 1207995490 JIQHTDOQRXGWNP-RYUDHWBXSA-N 303.366 -0.258 30 20 DBED C#CCOCCC(=O)N1CCC[C@@H](NCc2nc(=O)n(C)[nH]2)C1 1208031727 CROHERUBLMYEIW-GFCCVEGCSA-N 321.381 -0.771 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)[C@@H]2CCN(C)C2)[C@H](C)C1 1211026117 SCMIXIAGBPRYOO-MGPQQGTHSA-N 306.410 -0.876 30 20 DBED CO[C@@H]1CN(Cc2cnn(C)c2)C[C@H]1NC(=O)CSCC#N 1211888918 UMNWGHVYENFDIG-CHWSQXEVSA-N 323.422 -0.008 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)[C@H](C)C2CC2)[C@H](OC)C1 1212080873 CGUXMNDXBPFUPM-MRVWCRGKSA-N 307.394 -0.403 30 20 DBED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)[C@H]1CC1(F)F 1212218686 DYYTXQHTCHIELE-OPRDCNLKSA-N 316.308 -0.903 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CC(=O)N(C)C2)C[C@H]1C 1214757365 KJKVYRPIDXJZQS-FRRDWIJNSA-N 322.409 -0.797 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2nc(CC)no2)C[C@@H]1O 1219605042 HPQMJTUGSFBEBH-TUAOUCFPSA-N 322.365 -0.668 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)Cc2ccccc2)C1 1219883763 XAYMNPPVNPCXIB-CABCVRRESA-N 317.389 -0.307 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3cnsn3)[C@@H]2C1 1221307614 ZVJQURHWZRBTRB-ZYHUDNBSSA-N 319.390 -0.566 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@H]2CCN(CC(=O)N(C)C)C[C@H]21 1221541113 NIXBOFVOFOXUNM-BFHYXJOUSA-N 307.394 -0.354 30 20 DBED CC(C)NC(=O)CN(C)CC(=O)NC1CCN(CC#N)CC1 1228162900 POTLZZOTTYIQSF-UHFFFAOYSA-N 309.414 -0.453 30 20 DBED C=CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)CCn1ccnn1 1233906907 LYIKLSIYMYMOKZ-CYBMUJFWSA-N 320.397 -0.497 30 20 DBED N#CCN1CCC(NC(=O)N2CCS(=O)(=O)CC2)CC1 1318314542 RUWSPSMVJFCTHA-UHFFFAOYSA-N 300.384 -0.586 30 20 DBED N#CCN1CCN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)CC1 1318869337 JJZJUEUWYUXBQQ-PFONDFGASA-N 317.349 -0.429 30 20 DBED C=CCNC(=O)NC(=O)CN1CCC(S(C)(=O)=O)CC1 1319139406 WRTUURIFSZDGPS-UHFFFAOYSA-N 303.384 -0.493 30 20 DBED C#C[C@@H](NC(=O)C(=O)Nc1ccc(=O)n(C)c1)[C@H]1CCCO1 1320690999 LOHCVZSUSAEYRM-VXGBXAGGSA-N 303.318 -0.379 30 20 DBED C=CCCC[C@@H](C)NC(=O)C(=O)NCCS(=O)(=O)NC 1323510042 BAMIBAHUDXRCKA-SNVBAGLBSA-N 305.400 -0.487 30 20 DBED C[C@@H](NC(=O)C(=O)N1CCC(CC#N)CC1)[C@@H]1CN(C)CCO1 1323568763 NIEQUXGRQJEWMA-OCCSQVGLSA-N 322.409 -0.026 30 20 DBED C#CCOCCNC(=O)C(=O)NC[C@@H](C)CN1CCCCC1 1323699845 YWOYYHPQOLZGLE-CQSZACIVSA-N 309.410 -0.009 30 20 DBED CCN(C(=O)C(=O)Nc1cccc(C#N)n1)[C@H]1CCNC1=O 1326077630 NTVXTGKOTIAZNB-JTQLQIEISA-N 301.306 -0.371 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2nc(C)n(C)n2)C1=O 1326286365 PNAKYLIACYDNKN-JTQLQIEISA-N 320.353 -0.693 30 20 DBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NC1CCC1 1329218868 LXQSAGVEKUIJOD-UHFFFAOYSA-N 304.354 -0.077 30 20 DBED CC(C)[C@@H]1CN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)CCO1 1329451817 DAUBCSKEDLEJKB-WFASDCNBSA-N 309.366 -0.253 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N1CC[C@@H](n2cncn2)C1 1330495568 KHOWQIKHIFQKBH-CYBMUJFWSA-N 319.365 -0.450 30 20 DBED O=C(N[C@H]1CCCN(O)C1=O)c1cn(C2CCOCC2)nn1 1332907210 JUCGFBRMGAUTKJ-JTQLQIEISA-N 309.326 -0.260 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)NCc1cc(C)no1 1341057599 ABHLKFJSZQTHBW-UHFFFAOYSA-N 315.351 -0.684 30 20 DBED C#CCCCCNC(=O)C(=O)N1CCC(C(=O)NCC#C)CC1 1346473432 DOUOXIONVZKJMD-UHFFFAOYSA-N 317.389 -0.106 30 20 DBED CCCN(C(=O)Cn1cc(C#N)c(O)nc1=O)[C@@H](C)C(=O)OC 1362986991 NBGROVVRBQXGER-VIFPVBQESA-N 322.321 -0.379 30 20 DBED C=C(Br)CNC[C@H](O)CNC(=O)[C@H]1COC(=O)N1 1379198080 LPMOMEARWYFNDC-JGVFFNPUSA-N 322.159 -0.930 30 20 DBED CC(=O)NC1(C(=O)NC2CN(C(=O)[C@@H](C)C#N)C2)CCCC1 1387777347 VWFXSCGHFMBWLI-JTQLQIEISA-N 306.366 -0.078 30 20 DBED CCNC(=O)NC(=O)[C@H](C)N[C@H]1C[C@@H](CNC(=O)[C@H](C)C#N)C1 1388669051 BEQFZFNBHVCYDC-KXNHARMFSA-N 323.397 -0.135 30 20 DBED CNC(=O)NCC(=O)N[C@H](C)CNC(=O)c1cc(C#N)c[nH]1 1389199379 YYEOANQIYCFOCN-MRVPVSSYSA-N 306.326 -0.950 30 20 DBED COCC(=O)N(C)CC(=O)NC1(CNC(=O)[C@@H](C)C#N)CC1 1389963674 UEECVBMUOBURGM-JTQLQIEISA-N 310.354 -0.984 30 20 DBED CO[C@H](C)C(=O)N1CCN(CCN(C)C(=O)[C@@H](C)C#N)CC1 1398469790 XTSPIEJIIYDCBH-QWHCGFSZSA-N 310.398 -0.216 30 20 DBED N#Cc1cccc(CNC[C@H](O)CNC(=O)[C@@H]2COCCO2)c1 1406192708 QWEBJZXKKMXOFL-GJZGRUSLSA-N 319.361 -0.460 30 20 DBED CCN(CCNC(=O)CN(C)C(=O)COC)C(=O)[C@H](C)C#N 1415682603 NCMKZCRTWHNWSX-LLVKDONJSA-N 312.370 -0.784 30 20 DBED C=C(Cl)CN1CC(NC(=O)CCS(=O)(=O)N(C)C)C1 1421098708 ILNZBJCXGVOASK-UHFFFAOYSA-N 309.819 -0.179 30 20 DBED C[C@H](C#N)C(=O)N1CCC2(C1)CN(C(=O)C1(NC(N)=O)CC1)C2 1428593466 JGPGGQNPJNKEKS-SNVBAGLBSA-N 319.365 -0.592 30 20 DBED Cc1nn(C)cc1CC(=O)NC[C@@H](O)CNC(=O)[C@@H](C)C#N 1433305827 OVZJEAHNNRVENW-JOYOIKCWSA-N 307.354 -0.976 30 20 DBED C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)N[C@@H](C)c1nnnn1C 1437119635 GWPAAACBKWFOEO-IUCAKERBSA-N 302.342 -0.121 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C[C@H]2CCNC(=O)CC2)C1 1440036115 BSIVGPNNPXUHDH-VXGBXAGGSA-N 308.382 -0.775 30 20 DBED N#Cc1cn(CCNC(=O)c2ccc(F)cn2)c(=O)nc1O 1470361509 SGILPKPFFWUGLV-UHFFFAOYSA-N 303.253 -0.215 30 20 DBED CC(C)COC(=O)[C@H](C)NC(=O)Cn1cc(C#N)c(O)nc1=O 1471269248 QFIPTSHRRBEVCZ-VIFPVBQESA-N 322.321 -0.476 30 20 DBED C[C@H](CN(C)C(=O)c1cc(C#N)c[nH]1)NCCS(C)(=O)=O 1485861394 JBNYDWVPHONZOM-SNVBAGLBSA-N 312.395 -0.019 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CN(C)C(=O)C12CCCN1CCC2 1511579970 QQBNFCVPBJOJHC-QWHCGFSZSA-N 322.409 -0.290 30 20 DBED C=CCn1c(-c2ncnn2C)nnc1N1CC[C@H](NC(C)=O)C1 1520621779 BUWVLZIVGHMNAJ-NSHDSACASA-N 316.369 -0.026 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)c2ccc(C(N)=O)nc2)CC1 1535577991 FIDZYGWFJSXGJV-VIFPVBQESA-N 315.333 -0.281 30 20 DBED COC[C@@]1(C(=O)O)CCN(C(=O)[C@H](C)n2cnc(C#N)n2)C1 1574130786 ROZVPVKVNALILS-TVQRCGJNSA-N 307.310 -0.340 30 20 DBED Cn1ccnc1CCC(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[nH]1 1581799885 XOWXOXFIJUHYTR-UHFFFAOYSA-N 312.297 -0.234 30 20 DBED C=CCCC(=O)NCCN1CCN(C(=O)[C@H]2C[C@@H]2C(=O)O)CC1 1588776775 GERISOUVZPLVPL-STQMWFEESA-N 323.393 -0.066 30 20 DBED Cc1cc(C#N)cc(NC(=O)C(=O)NC[C@@](C)(O)C(=O)O)c1 1594274293 XLOQXNWSYCMJNM-CQSZACIVSA-N 305.290 -0.243 30 20 DBED Cn1c(N2CCCC[C@@H]2CC(=O)O)c(C#N)c(=O)n(C)c1=O 1594522560 ZNBQXGDPBSIVDG-SECBINFHSA-N 306.322 -0.211 30 20 DBED C#CCN(CC(=O)O)c1nnc(CCO)n1C[C@H]1CCOC1 1602700983 QPDHDGHKGPESRM-LLVKDONJSA-N 308.338 -0.626 30 20 DBED N#Cc1ncc(N2CC[C@H](N3CC=CC3)C2)nc1-c1nn[nH]n1 1606397303 MJKINACBXOQFTE-JTQLQIEISA-N 309.337 -0.021 30 20 DBED N#C[C@H]1CN(S(=O)(=O)c2csnc2C(=O)O)CCO1 1608179038 FENRIODLDGOPOO-LURJTMIESA-N 303.321 -0.246 30 20 DBED C=CC[C@@H](NS(=O)(=O)N(C)CCC(=O)O)C(=O)OCC 1609320204 BENSIYVDQGDXMD-SECBINFHSA-N 308.356 -0.265 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2ccnc(OC)n2)C1 1713953533 LCPSSMCLJDHPMP-LBPRGKRZSA-N 304.350 -0.061 30 20 DBED CN(CC#N)CCCNC(=O)Cn1nc2n(c1=O)CCCC2 1752092969 GNYWGLBZMQNYFK-UHFFFAOYSA-N 306.370 -0.657 30 20 DBED CCN(CCNC(=O)[C@@H]1CCCC(=O)N1C)CC(=O)NCC#N 1753094108 WXRMTQXJSJATPE-LBPRGKRZSA-N 323.397 -0.925 30 20 DBED C#CCNC(=O)CNCCN(C)C(=O)CN1CCCCCC1=O 1753258420 HWLNNPPKYZHCAM-UHFFFAOYSA-N 322.409 -0.814 30 20 DBED C=C(C)CN1CCN(CCN(C)C(=O)CNC(=O)OC)CC1 1753343978 NCZLKWGOQDRWQY-UHFFFAOYSA-N 312.414 -0.006 30 20 DBED CC#CCN1CCO[C@@H](CNC(=O)[C@@]2(C)CCC(=O)NC2)C1 1753652220 CPFJFETXCOEQEP-BBRMVZONSA-N 307.394 -0.257 30 20 DBED CC#CCN1CCO[C@@H](CNC(=O)Cn2ccc(C)cc2=O)C1 1753653750 GZTKRZXFBIKQKO-HNNXBMFYSA-N 317.389 -0.003 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@]1(O)CCN(Cc2cnn(C)c2)C1 1754748743 MAIDMZIDIKSMNG-CVEARBPZSA-N 322.409 -0.200 30 20 DBED C#CCNC(=O)CN1CC[C@@](O)(CNC(=O)C(C)(C)C(=C)C)C1 1754756752 UZBLQPYFEHUXOH-QGZVFWFLSA-N 321.421 -0.109 30 20 DBED COCC#CCN1CC2(C[C@H](NC(=O)c3[nH]nnc3C)CO2)C1 1755062705 FNDHEDJWPPWPGE-LBPRGKRZSA-N 319.365 -0.664 30 20 DBED COCC#CCN[C@H]1CN(C(=O)C(=O)NCC(F)F)C[C@H]1C 1755112293 UFEAPJSTXBEEJN-MNOVXSKESA-N 317.336 -0.546 30 20 DBED C=CCCOCC(=O)NCC1[C@H]2CN(CC(=O)N(C)C)C[C@H]12 1755436319 RJAWCVGVIQMROT-ZIAGYGMSSA-N 309.410 -0.039 30 20 DBED CN(C[C@@H](O)CNCC#N)C(=O)c1cccnc1-n1cccn1 1755784518 PMHOUGVHPOGSKY-LBPRGKRZSA-N 314.349 -0.187 30 20 DBED CN(C[C@H](O)CNC(=O)Cc1ccon1)C(=O)C#CC1CC1 1756663882 ZEHRUKPMYONUHI-CYBMUJFWSA-N 305.334 -0.434 30 20 DBED C#CCOCCC(=O)N(C)C1CC(NC(=O)CC(=O)N(C)C)C1 1756741400 QQLLKJXKIOGSRU-UHFFFAOYSA-N 323.393 -0.390 30 20 DBED C#CCCCCC(=O)NC1CC(N(C)C(=O)[C@H]2CNC(=O)N2)C1 1756747814 KJNQTBJBGDVXMV-WXRRBKDZSA-N 320.393 -0.033 30 20 DBED COCCOCC(=O)N1C[C@@H]2CCN(C(=O)[C@@H](C)C#N)[C@@H]2C1 1756971629 OHAGJODLNDUBBO-RWMBFGLXSA-N 309.366 -0.132 30 20 DBED C#CCOCCC(=O)N1C[C@H](O)[C@H](NC(=O)c2ccccn2)C1 1757150354 MAECBGYEBJXAIK-KGLIPLIRSA-N 317.345 -0.577 30 20 DBED C=CCOCC(=O)N1C[C@H]2CCN(C(=O)[C@H](C)NC(C)=O)C[C@H]21 1757222977 ONHOQFRLWURKKP-IACUBPJLSA-N 323.393 -0.227 30 20 DBED C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCC(=O)N3C)C2)C1 1781370090 GYWFITYDWAEQEY-BLLLJJGKSA-N 319.361 -0.930 30 20 DBED N#CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3C[C@@H](O)C3)[C@H]2C1 1788117393 BSLOKBYCEKACMX-HPCHECBXSA-N 321.377 -0.349 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1nnc(C)o1 1795790986 VKPOMKPQOCBHIP-QHBPRCKVSA-N 318.333 -0.857 30 20 DBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](CC)NC)C2)C1 1839807465 BRBSXSZXMVHKFF-CJNGLKHVSA-N 323.393 -0.926 30 20 DBED C#CCCC(=O)N1CCOC[C@]2(CN(C(=O)C#C)CCO2)C1 1839811924 XCKLTWNSMOQBBD-INIZCTEOSA-N 304.346 -0.511 30 20 DBED C#CCCCCC(=O)N1CCCC12CN(C(=O)[C@@H](N)CN)C2 1846488505 UNGKOFCHOKXENV-ZDUSSCGKSA-N 306.410 -0.331 30 20 DBED C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)C(N)=O)cc1 17817239 NPZHMZSQGFQLOX-SECBINFHSA-N 311.363 -0.246 30 20 DBED C[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1)C(N)=O 43674872 RGCVIRXVHHSWNR-SECBINFHSA-N 324.362 -0.831 30 20 DBED CN(C(=O)CN1CCO[C@H](C(N)=O)C1)C1(C#N)CCCCC1 51131594 PFUFNNCTBKTSBR-LBPRGKRZSA-N 308.382 -0.143 30 20 DBED C[C@H](NC(=O)CN1CCOC[C@@H]1C#N)C(=O)N1CCCCC1 81164374 KFGJOWOTRVKQEY-STQMWFEESA-N 308.382 -0.272 30 20 DBED C[C@H](C#N)CN(C)C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 148264076 YTBVSKMUTLVTIE-SECBINFHSA-N 318.337 -0.948 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 162723670 ZMUYIMICBODKMO-KBPBESRZSA-N 308.426 -0.085 30 20 DBED C=CCCN1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 172621646 CFXNRVKFJANPKP-GFCCVEGCSA-N 322.452 -0.303 30 20 DBED N#Cc1ccc(CN2CCN3C(=O)C(=O)NC[C@@H]3C2)cc1F 192075040 OATUUUGAVYNBLV-GFCCVEGCSA-N 302.309 -0.160 30 20 DBED Cn1ccnc1C/N=C(/N)N1CCN(c2ncccn2)CC1 261968169 CDOVIOJZLCCZRK-UHFFFAOYSA-N 300.370 -0.153 30 20 DBED Cc1nc(C/N=C(/N)N2CCN(c3ncccn3)CC2)no1 262549617 XIWCELROXGVKKS-UHFFFAOYSA-N 302.342 -0.195 30 20 DBED C#CCn1ccc(CN(CC)C(=O)[C@H](C)NS(C)(=O)=O)n1 279209598 WNQXQFLMOYGBHJ-NSHDSACASA-N 312.395 -0.198 30 20 DBED C=CCN1CC[C@@H](N(C)Cc2nc(N)nc(N(C)C)n2)C1=O 281292322 JHPMGYXHSDNTSQ-SNVBAGLBSA-N 305.386 -0.262 30 20 DBED C[C@H](C/N=C(/O)CN1CCCS1(=O)=O)CN1CCOCC1 329662374 JBLQNDFJEHDULT-GFCCVEGCSA-N 319.427 -0.053 30 20 DBED CCN1CCN(/C(O)=N/[C@H]2CCCS(=O)(=O)C2)CC1=O 329844587 OJWMZLOYOSKDHU-JTQLQIEISA-N 303.384 -0.358 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N[C@H](CO)c1cnn(C)c1 330396475 AWWYOXZZLBPFFT-MWLCHTKSSA-N 301.372 -0.478 30 20 DBED CN1CC[C@@H]2CCN(S(=O)(=O)N3CCO[C@@H](C#N)C3)[C@H]2C1 336945250 NCPHEKVPBIIOCZ-AGIUHOORSA-N 314.411 -0.518 30 20 DBED C=CC[C@H](CO)NC(=O)[C@@H]1OCC(=O)N(C)[C@@H]1c1cnn(C)c1 343792280 GVPNFANAVKBQGP-MRVWCRGKSA-N 322.365 -0.628 30 20 DBED C=CCOCCCN[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 348049048 IJXCINKMCJCTLQ-KBPBESRZSA-N 318.439 -0.334 30 20 DBED CN1CCN(C(=O)Cc2noc(-c3cnn(C)c3C#N)n2)CC1 350212244 KMSXYRIETHPFNS-UHFFFAOYSA-N 315.337 -0.342 30 20 DBED C=CCN1CC[C@@H](N(C)S(=O)(=O)CCOCCOC)C1=O 352979201 AJHLYYXKLVMPIN-GFCCVEGCSA-N 320.411 -0.302 30 20 DBED Cc1onc(CC(=O)N(C2CC2)[C@H]2CC(=O)NC2=O)c1C#N 354396433 JDWNZBDEIZIGDB-NSHDSACASA-N 302.290 -0.197 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H]2CCC[C@@H](O)C2)C1=O 357140100 ZZIVGBRWQPEZTB-GHMZBOCLSA-N 323.349 -0.370 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 367537888 JUYGXOZSNXIEOX-OUAUKWLOSA-N 315.395 -0.494 30 20 DBED C#CCCS(=O)(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 377334731 LWYSLXKVPWBYOA-UHFFFAOYSA-N 320.436 -0.114 30 20 DBED N#CCC1(CNC(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)CC1 431178598 JZZXJVIIKJDEJK-WFFHOREQSA-N 317.345 -0.041 30 20 DBED C=CCCN(C)C(=O)C(=O)N1CCN(CC(=O)NCC)CC1 459917175 DJYKCFKLVYFHDC-UHFFFAOYSA-N 310.398 -0.699 30 20 DBED CCN(CCC#N)S(=O)(=O)N1C[C@@](C)(CO)[C@@](C)(CO)C1 528543012 ZHKYCHCMJXIWAC-BETUJISGSA-N 319.427 -0.220 30 20 DBED Cc1nn(C)c(N2CCN(C(=O)[C@H]3COCCO3)CC2)c1C#N 530464276 NQNBIZWOQYDANL-CYBMUJFWSA-N 319.365 -0.336 30 20 DBED C=CCN1CC[C@H](N2[C@H]3C[C@H]4[C@H]([C@@H]3O)[C@@H]3C[C@H]4[C@@H](O)[C@H]32)C1=O 567994713 SGYAXMBVFGNKLA-QQYWRRDBSA-N 304.390 -0.166 30 20 DBED CNS(=O)(=O)[C@H]1CCN(c2ccc(C(=O)OC)nc2C#N)C1 577125147 XOJAXTYTQLYKPO-VIFPVBQESA-N 324.362 -0.132 30 20 DBED N#Cc1ccc(S(=O)(=O)NCC(=O)NCCNC2CC2)cc1 592467961 HCRKQZAEKRAQRK-UHFFFAOYSA-N 322.390 -0.295 30 20 DBED CO[C@H]1CN(S(=O)(=O)N(C)CCC#N)[C@@](C)(C(=O)O)C1 600656405 CNCUBUVPQKCZFE-MWLCHTKSSA-N 305.356 -0.359 30 20 DBED N#CCCN1CCN(C(=O)C(=O)N2CCCC[C@@H]2CCO)CC1 601415059 AEHWVXCKVZTNGD-CQSZACIVSA-N 322.409 -0.192 30 20 DBED CC(C)[C@@H](N)CCN(C)C(=O)C(=O)N1CCN(CCC#N)CC1 601583374 PKNBXVDARWLCAU-AWEZNQCLSA-N 323.441 -0.124 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2OC)nn1 617868756 KQANAMTXGWOPCD-NXEZZACHSA-N 300.340 -0.994 30 20 DBED C=C(CNC(=O)c1cn(C)cn1)CNC(=O)c1cn(C)cn1 620748815 ZUATZSLJSMJTGO-UHFFFAOYSA-N 302.338 -0.130 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@H](C)CS(C)(=O)=O 747075889 LZNIGTKQLHPQPO-BDAKNGLRSA-N 320.367 -0.389 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N1CCOC[C@H]1C[C@@H](C)O 768429756 TWVGDCODIJUOMA-VXGBXAGGSA-N 320.411 -0.232 30 20 DBED C#CCOCCC(=O)N1CC[C@H](OCCN2CCOCC2)C1 778333519 CCVOEOWVMQWJSV-HNNXBMFYSA-N 310.394 -0.024 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N1CCC2(C1)OCCO2 783307187 COFLGRMKWIWUQC-UHFFFAOYSA-N 304.368 -0.254 30 20 DBED C#CCC[C@H](O)CNS(=O)(=O)c1ccc(-n2cnnn2)cc1 798488615 UWFONQIDOJHWTM-LBPRGKRZSA-N 321.362 -0.285 30 20 DBED Cc1ncc(S(=O)(=O)NC[C@H]2CC(C(N)=O)=NO2)cc1C#N 813694726 YZMJINPYBASULH-SECBINFHSA-N 323.334 -0.830 30 20 DBED C=CCn1cc(C(=O)NS(=O)(=O)C[C@H]2CCCOC2)nn1 842792719 LPZNCEYPUCGXLL-JTQLQIEISA-N 314.367 -0.050 30 20 DBED C#CCNc1nc(NC/C=C/CO)nc(NC/C=C/CO)n1 853794964 HEPRAFYUZCPCGQ-GGWOSOGESA-N 304.354 -0.163 30 20 DBED C#CCO[C@H](C)C(=O)N1CCCC[C@@H]1CNS(N)(=O)=O 854839473 IIISLOVIUOTAPH-GHMZBOCLSA-N 303.384 -0.801 30 20 DBED CC(C)(C#N)C[C@@H](O)CNCCS(=O)(=O)N1CCOCC1 857234915 NDEUFWOFCHLZSO-GFCCVEGCSA-N 319.427 -0.461 30 20 DBED COC(=O)c1cc(C#N)c(=O)n(CC(=O)N2CCO[C@@H](C)C2)c1 875243812 LXPDMJIJBQWHPT-JTQLQIEISA-N 319.317 -0.246 30 20 DBED C#CCN1CCC[C@@H](NS(=O)(=O)CCS(C)(=O)=O)C1 885511886 NWIWQNYQTPNESI-LLVKDONJSA-N 308.425 -0.952 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCN(C(=O)N2CCN(C)CC2)CC1 896233034 PNWLDLQPAHRTIV-INIZCTEOSA-N 324.425 -0.175 30 20 DBED Cc1cnc(S(C)(=O)=O)nc1C(=O)NCC#CCN(C)C 913522290 CPZSGIOLMJUZEO-UHFFFAOYSA-N 310.379 -0.517 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](N(C)C(=O)c2nccnc2N)C1 939394652 AKJDBSYHSHFXAO-ZJUUUORDSA-N 302.338 -0.109 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CCN(CC(N)=O)C[C@H]2C)nc1 944193564 XOZZRYXYFLHAGF-DGCLKSJQSA-N 300.362 -0.012 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H]2CCN2C(=O)[C@H]2CCNC2=O)c1 949301962 NCSFJYGEQIPYAY-MNOVXSKESA-N 315.333 -0.647 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]1CNC(=O)c1cccnc1C(N)=O 950273787 IMSTWVYRBUUBBB-NXEZZACHSA-N 315.333 -0.329 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]1CNC(=O)c1ccc(C(N)=O)nc1 950823744 HVDXWNMNZACPSX-GXSJLCMTSA-N 315.333 -0.329 30 20 DBED CC#CCN1C[C@H](CNC(=O)c2ccc(C(N)=O)o2)[C@@H](O)C1 958240036 XNPSNDXBNNMZQS-QWRGUYRKSA-N 305.334 -0.576 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2c(C)cc(=O)oc2C)C1 958243576 KRDPPOQZEXSHPJ-OLZOCXBDSA-N 304.346 -0.088 30 20 DBED COc1coc(C(=O)NC[C@H]2CN(CC#N)C[C@@H]2O)cc1=O 958261817 BRARJRIBHZZACA-ONGXEEELSA-N 307.306 -0.806 30 20 DBED C#CCCN1C[C@H](O)[C@H](CNC(=O)c2cc(=O)c(OC)c[nH]2)C1 958264923 ZJFOHJWDUGKTPU-RISCZKNCSA-N 319.361 -0.571 30 20 DBED Cc1ncc(Cl)c(C(=O)NC[C@@H]2CN(CC#N)C[C@H]2O)n1 958454464 XAFYGKUDNRHYMU-MWLCHTKSSA-N 309.757 -0.016 30 20 DBED C#CCCN1C[C@@H](O)[C@H](CNC(=O)c2cc(C(N)=O)c[nH]2)C1 958524963 DGPORJPBYAKGIA-DGCLKSJQSA-N 304.350 -0.841 30 20 DBED C=C(C)CN1C[C@@H](O)[C@@H](CNC(=O)c2cn(C)c(=O)n2C)C1 958736293 MGLHTIDAFXMFSD-WCQYABFASA-N 308.382 -0.678 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC3(F)F)C[C@@H]2O)c[nH]1 962388952 JXLBUNJMJXCCBN-MXWKQRLJSA-N 324.287 -0.157 30 20 DBED C=CCN1C[C@H]2C(NC(=O)CN3C(=O)NC(C)(C)C3=O)[C@@H]2C1 962461766 KBRZXPXQRJBOIL-NXEZZACHSA-N 306.366 -0.451 30 20 DBED N#CCNC1CC2(C1)CC(NC(=O)[C@H]1CCS(=O)(=O)N1)C2 965926452 ZPZMATRLSVPQPN-XPOXDWOYSA-N 312.395 -0.781 30 20 DBED C#CCN1CC([C@H](C)NC(=O)c2cn(C[C@H]3CCOC3)nn2)C1 970662792 MMDDJAMZOZOLOJ-QWHCGFSZSA-N 317.393 -0.002 30 20 DBED CC#CCN1C[C@H]2CC[C@H]1CN2C(=O)CCn1ncn(C)c1=O 971632900 DCPUDUMXHWLJKL-UONOGXRCSA-N 317.393 -0.330 30 20 DBED N#CCN1CCO[C@@]2(CCN(C(=O)c3cc(C(N)=O)co3)C2)C1 972548994 LNZHXEGKLTUHRV-HNNXBMFYSA-N 318.333 -0.181 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)[nH]1 973182978 LAYIXUCHXGDHID-DNRKLUKYSA-N 317.305 -0.071 30 20 DBED C=CCOc1cccnc1C(=O)N[C@H]1C[C@H](NC(=O)C(N)=O)C1 973533452 AYGXJJXXJMFLIU-MGCOHNPYSA-N 318.333 -0.491 30 20 DBED C#CCN1C[C@H](NC(=O)[C@H]2CC(=O)N(CCOC)C2)C(C)(C)C1 974646783 WVZHLXDNWHJDTN-KBPBESRZSA-N 321.421 -0.059 30 20 DBED O=C1NC[C@@H](C(=O)N2C[C@H]3CCN(C(=O)C#CC4CC4)C[C@H]32)N1 974939680 PNBVARWMCMMVDJ-FRRDWIJNSA-N 316.361 -0.860 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@@H]3CN(C(=O)C(N)=O)[C@@H]3C2)[nH]1 974961607 CTZYWMYSTHHANE-LDYMZIIASA-N 301.306 -0.955 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]1CN(C)C(=O)c1c[nH]c(C(N)=O)c1 977746615 XUZZZLWGBZKXFE-ONGXEEELSA-N 317.349 -0.054 30 20 DBED Cn1ncc(C(=O)N2CC(NC(=O)c3cc(C#N)c[nH]3)C2)c1N 990690449 BCMXUSDLPYXDLX-UHFFFAOYSA-N 313.321 -0.544 30 20 DBED CN(C(=O)c1ccc(S(N)(=O)=O)o1)C1CC(NCC#N)C1 999051074 RAHXXBOIWCYMCP-UHFFFAOYSA-N 312.351 -0.357 30 20 DBED C=C(Cl)CN[C@H]1CCCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 999397035 JVAXMATZVCLWMW-UWVGGRQHSA-N 314.773 -0.082 30 20 DBED C=C(C)CN[C@H]1CCCN(C(=O)CN2CCN(C)C(=O)C2)C1 999535728 LORWFHJHXBEZSF-AWEZNQCLSA-N 308.426 -0.083 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CCN([C@@H](C)C(N)=O)CC1 1003056185 MONBXOWFIKWHIB-JSGCOSHPSA-N 306.410 -0.462 30 20 DBED C=C(C)CN1CCC[C@H](NC(=O)CN2CCN(C)C(=O)C2)C1 1007689845 CMDHLZLTWAKCNX-AWEZNQCLSA-N 308.426 -0.083 30 20 DBED C=CCn1cc(C(=O)NC2[C@@H]3CN(C(=O)[C@@H](C)OC)C[C@@H]23)nn1 1013113365 JZGWJCNTYLNBIN-GMTAPVOTSA-N 319.365 -0.314 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(C1)CN(C(=O)[C@@H]1COCCO1)C2 1018810839 JOKZOWNQFKPPIQ-RYUDHWBXSA-N 307.350 -0.378 30 20 DBED Cc1nc(CC(=O)N2CCC3(C2)CN(C(=O)[C@@H](C)C#N)C3)n[nH]1 1019363391 SORHQHPMILOBCH-JTQLQIEISA-N 316.365 -0.124 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](NCc2nc(=O)n(C)[nH]2)C1 1019405326 BSAKAYMNDIUOLA-TUAOUCFPSA-N 321.381 -0.610 30 20 DBED N#Cc1cc(C(=O)N[C@H]2C[C@@H](N[C@H]3CCC(=O)NC3=O)C2)c[nH]1 1021983711 CVGSMZRZAHIDIY-UMNHJUIQSA-N 315.333 -0.458 30 20 DBED C#CCN[C@@H]1CC[C@H]2CN(C(=O)c3cc(=O)n(C)cn3)C[C@@H]21 1026287273 QQBDSMSPKDPBAB-RWMBFGLXSA-N 300.362 -0.146 30 20 DBED Cn1nnc(CN2CC[C@H](CNC(=O)c3c[nH]c(C#N)c3)C2)n1 1028488911 KHJUAMBXJGUMGF-SNVBAGLBSA-N 314.353 -0.338 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCCCN(CC(N)=O)C2)nn1 1034431913 MVEJFTFKHPHYEP-NSHDSACASA-N 306.370 -0.466 30 20 DBED CC1(C)NC(=O)N(CC(=O)N[C@H]2CCCCN(CC#N)C2)C1=O 1034513274 YCIOHACBTBXTID-NSHDSACASA-N 321.381 -0.189 30 20 DBED C#CCN1CCC(C(=O)N[C@H]2CC[C@H](NCC(N)=O)CC2)CC1 1034795463 GYQDWSLIHNBXSM-SHTZXODSSA-N 320.437 -0.166 30 20 DBED C#CCN1CCO[C@H](CNC(=O)[C@H]2CCc3n[nH]cc3C2)C1 1035575396 ZTLJQKSNLXKYGS-GXTWGEPZSA-N 302.378 -0.035 30 20 DBED C=C(C)CN1CCO[C@@H](CNC(=O)c2cn(C)c(=O)n2C)C1 1035615960 CEOLWKBBRJMCLH-LBPRGKRZSA-N 308.382 -0.270 30 20 DBED C=CCN1CC[C@@H](N2CC3(CCN(C(=O)C(N)=O)CC3)C2)C1=O 1035781066 NRUORRLFPKRFJG-GFCCVEGCSA-N 320.393 -0.817 30 20 DBED CN(C)C(=O)CN1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1c[nH]c(C#N)c1 1037369963 AVJWIOCCPPNHHC-SCDSUCTJSA-N 301.350 -0.223 30 20 DBED N#CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1ccc(-n2ccnc2)nn1 1037624884 NLTPVBMWVUCIAG-SCDSUCTJSA-N 309.333 -0.012 30 20 DBED C=CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1cn(CC(=O)N(C)C)nn1 1037739920 KOLUMSBBDAWENL-SCDSUCTJSA-N 318.381 -0.645 30 20 DBED C[C@H](c1nnnn1C)N1CC[C@@H]1CNC(=O)c1c[nH]c(C#N)c1 1038175279 NRZOVSTWOLHYKD-BXKDBHETSA-N 314.353 -0.025 30 20 DBED N#CCN1CC[C@H]1CNC(=O)c1cccc(OCC(N)=O)c1 1038326771 IGVXPZCOXINIIF-LBPRGKRZSA-N 302.334 -0.122 30 20 DBED Cc1ccc(C(=O)NC[C@@]2(O)CCN(C(=O)[C@H](C)C#N)C2)nn1 1039692460 XMVDVRIWXPRFFX-BMIGLBTASA-N 317.349 -0.362 30 20 DBED O=C(C#CC1CC1)N1CC[C@](O)(CNC(=O)[C@@]2(F)CCOC2)C1 1040649787 BEGHNNGLCMFFTP-JKSUJKDBSA-N 324.352 -0.392 30 20 DBED C[C@@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)C2CCN(C)CC2)C1 1040759255 GNJYBTJQEYSEAM-BLLLJJGKSA-N 322.409 -0.433 30 20 DBED C[C@@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)c2cccn2C)C1 1040759368 AEXSXMKIOPYWOE-XHDPSFHLSA-N 304.350 -0.122 30 20 DBED N#Cc1cnccc1N1C[C@@H](O)[C@H](NC(=O)[C@H]2COCCO2)C1 1040928706 SXQQCHFOCIWHGN-MRVWCRGKSA-N 318.333 -0.966 30 20 DBED N#Cc1cc(C(=O)N2CC(O)(CNC(=O)c3cc[nH]n3)C2)c[nH]1 1041602568 SNFZJTBXVFTDEV-UHFFFAOYSA-N 314.305 -0.774 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)c2cc(C)n(C)n2)C1 1041751105 XSXMKKDXWJUUPW-UHFFFAOYSA-N 322.365 -0.766 30 20 DBED C#CCCN1CC[C@@H]2CCN(C(=O)Cn3ncn(C)c3=O)C[C@H]21 1042123238 QUDQUFDLTVDDDD-ZIAGYGMSSA-N 317.393 -0.472 30 20 DBED C=CCN1CC[C@@H]2CCN(C(=O)CN3C(=O)CN(C)C3=O)C[C@H]21 1042346176 PPNGUWJVIMLDBJ-CHWSQXEVSA-N 320.393 -0.011 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@@H](C)CO2)C1 1042799947 YGQLIVOJVBHRKZ-OLZOCXBDSA-N 308.378 -0.096 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(O)CN(C(=O)c2n[nH]cc2C)C1 1042806841 LBKYEANOSRHZCA-CQSZACIVSA-N 322.365 -0.652 30 20 DBED O=C(C#CC1CC1)NCC1(O)CN(C(=O)CCc2ncc[nH]2)C1 1042957928 BHFBOHFZDKMZNZ-UHFFFAOYSA-N 316.361 -0.555 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)CC(F)(F)F)C1 1043040006 MIUDEFMYCLYTPU-VIFPVBQESA-N 322.283 -0.333 30 20 DBED C=CCC(C)(C)C(=O)NCC1(O)CN(C(=O)CNC(C)=O)C1 1043060262 PZCBYZHXLATTEX-UHFFFAOYSA-N 311.382 -0.586 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC(O)(CNC(=O)c3cc[nH]c3)C2)c1 1043386568 ZKYBCKXDLSYBAV-UHFFFAOYSA-N 313.317 -0.169 30 20 DBED N#Cc1cncc(N2C[C@H](O)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)n1 1043891424 FUTWEFPSPNMPQG-OLZOCXBDSA-N 323.316 -0.472 30 20 DBED Cc1c[nH]cc1C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@@H]1O 1043958570 GFOATSNZZYMFLN-OLZOCXBDSA-N 312.333 -0.036 30 20 DBED C[C@H](CC(N)=O)C(=O)NCC1(O)CN(C(=O)C#CC(C)(C)C)C1 1044437103 ZNMHQIDNXBJNLD-LLVKDONJSA-N 323.393 -0.763 30 20 DBED C=C(C)C[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2nc[nH]n2)C1 1044790195 UAWIXZNJZOHOIS-SNVBAGLBSA-N 307.354 -0.290 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)c2cc(C)co2)C1 1045047007 ZMSMXVSBZWPKEX-GFCCVEGCSA-N 320.345 -0.071 30 20 DBED C=C[C@H](CC)CC(=O)NCC1(O)CN(C(=O)Cn2nccn2)C1 1045068483 FZRURCDFFFVOOY-GFCCVEGCSA-N 321.381 -0.430 30 20 DBED COCCC[C@@H](C)C(=O)N1CC(O)(CNC(=O)[C@@H](C)C#N)C1 1045550905 BPIKCTLTUXZNJR-NEPJUHHUSA-N 311.382 -0.102 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cnn3ccncc23)C1 1047409384 KDRAFUXUVUHVJE-GJZGRUSLSA-N 313.361 -0.130 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCN(C(C)=O)C2)C1 1047612699 LYZQBOCTLNFJGU-KKUMJFAQSA-N 307.394 -0.618 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cn2ccnc2)C1 1049030698 FYALFJCUXQKZIE-KBPBESRZSA-N 318.377 -0.283 30 20 DBED N#CCN1CCOC[C@@H]1CNC(=O)[C@H]1CCc2c[nH]nc2C1 1051251977 AAISAIGPJJHRSO-AAEUAGOBSA-N 303.366 -0.145 30 20 DBED Cn1ncc(CNC[C@H]2CN(C(=O)C#CC3CC3)CCO2)n1 1051608459 CLJXASCGCZKURK-AWEZNQCLSA-N 303.366 -0.455 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@H](N3CCN(CCO)CC3)C2)c1 1052007339 ZCJSEBUXVYJBCV-AWEZNQCLSA-N 317.393 -0.289 30 20 DBED CCN1CCO[C@@H](C(=O)N[C@@H]2COC3(C2)CN(CC#N)C3)C1 1054014278 KWACNDNPFHCTJR-QWHCGFSZSA-N 308.382 -0.810 30 20 DBED N#Cc1ccc(N[C@H]2C[C@H]3C[C@@H](C2)N(C(=O)C(N)=O)C3)nn1 1054839406 IVSCAGOJQXOTMK-LSJOCFKGSA-N 300.322 -0.375 30 20 DBED N#Cc1cnc(N2CCN(C(=O)[C@H]3COCCO3)CC2)cn1 1055727775 HDKSLRDZWUYNCS-GFCCVEGCSA-N 303.322 -0.588 30 20 DBED C[C@@H](C#N)C(=O)N[C@]1(CO)CCCN(C(=O)C2=CCOCC2)C1 1056094882 YCFNMTYBAJVDNJ-BLLLJJGKSA-N 321.377 -0.038 30 20 DBED Cn1ncc(C(=O)N[C@H]2[C@@H]3CN(c4ccncc4C#N)C[C@@H]32)n1 1056258411 XTSKWYKSSSQBFS-YABSGUDNSA-N 309.333 -0.054 30 20 DBED COCCC(=O)NCCN(CCO)C(=O)CSCC#N 1057026681 HVZMCWONBHNUDX-UHFFFAOYSA-N 303.384 -0.783 30 20 DBED CO[C@H](C)CC(=O)NCCN(CCO)C(=O)CSCC#N 1057026808 MMYMNNXAJYGVCI-LLVKDONJSA-N 317.411 -0.395 30 20 DBED C=C(C)CCC(=O)NCCN(CCO)C(=O)c1ncn(C)n1 1057498345 ZBPSRLRJYXGFQY-UHFFFAOYSA-N 309.370 -0.278 30 20 DBED O=C(NCCN(CCO)C(=O)C#CC1CC1)c1ccnc(O)c1 1057531091 DWAOXJKSTCBCRC-UHFFFAOYSA-N 317.345 -0.249 30 20 DBED C#CCO[C@H](C)C(=O)N(CCO)CCNC(=O)c1nocc1C 1057584474 LQNPVOPBYLJNBW-GFCCVEGCSA-N 323.349 -0.428 30 20 DBED N#Cc1nccc(N2CCC[C@@H](NC(=O)[C@@H]3COCCO3)C2)n1 1058120126 IDMPFNLRSJUNAC-NEPJUHHUSA-N 317.349 -0.151 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)[C@H]1CC[C@@H]1C(N)=O 1058294094 IHAVZRLBZRIIDW-STQMWFEESA-N 323.393 -0.906 30 20 DBED N#Cc1ccc(N2CC[C@@H](NC(=O)[C@H]3CCNC3=O)C2)nn1 1058507893 PXHOKVXOMXIEKP-MNOVXSKESA-N 300.322 -0.821 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)CN1CCC[C@@H]1C 1058657117 QYUPUCWJHLWRMF-STQMWFEESA-N 310.398 -0.433 30 20 DBED CC(C)C#CC(=O)N1CC[C@H](CCNC(=O)[C@@H]2CNC(=O)N2)C1 1059611626 ZKEWNNLZZUYDPG-STQMWFEESA-N 320.393 -0.318 30 20 DBED N#Cc1cnc(N[C@H]2C[C@@H](NC(=O)[C@H]3CC[C@@H]3C(N)=O)C2)cn1 1059784418 QRARRQHBOMYXPJ-QCMRWSPLSA-N 314.349 -0.081 30 20 DBED C=CCOCC(=O)NC[C@H]1COCCN1C(=O)c1cccnn1 1061426174 LYAPVENHJKDULX-LBPRGKRZSA-N 320.349 -0.364 30 20 DBED C#CCCCC(=O)NC[C@@H]1COCCN1C(=O)[C@H]1COC(=O)N1 1061540398 JYWZOVIVIUQODY-VXGBXAGGSA-N 323.349 -0.758 30 20 DBED CN(CC1CCN(C(=O)CC(N)=O)CC1)c1ccc(C#N)nn1 1062211667 LDBPNHOHZZTWDF-UHFFFAOYSA-N 316.365 -0.102 30 20 DBED C#CCO[C@@H](C)C(=O)NC1(CNC(=O)CC(=O)N(C)C)CCC1 1063089708 PEHNXKQTTHLFJY-LBPRGKRZSA-N 323.393 -0.342 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CN(C(=O)CN2CCCC2=O)CCO1 1064840376 KEESAPHIPDMHRV-RYUDHWBXSA-N 322.365 -0.888 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CN(C(=O)CSCC#N)CCO1 1064881731 YHNRNNUMJSJYDT-WDEREUQCSA-N 310.379 -0.254 30 20 DBED C=CCOCC(=O)N1CCO[C@H](CNC(=O)c2cnco2)C1 1064974224 OIYXGFPPROSTSO-LLVKDONJSA-N 309.322 -0.166 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CN(C(=O)c2cncn2C)CCO1 1065314754 YQDPOXRVWHEFQM-GHMZBOCLSA-N 305.338 -0.463 30 20 DBED C[C@H](C#N)C(=O)N(C)CCCN(C)C(=O)c1ccc(=O)n(C)n1 1068060655 WHFWEYDSZAUWMJ-LLVKDONJSA-N 319.365 -0.140 30 20 DBED C=CCCC(=O)N1CC2(CN(C(=O)CN(C)C(C)=O)CCO2)C1 1068314194 GZBOKTCRJOINID-UHFFFAOYSA-N 323.393 -0.129 30 20 DBED C=CCCC(=O)N[C@@H]1COC2(C1)CN(C(=O)c1cn(C)nn1)C2 1068753526 PFNOUECPBCBAAE-NSHDSACASA-N 319.365 -0.119 30 20 DBED C#CCCCC(=O)N1CC2(C[C@H](NC(=O)c3cnn[nH]3)CO2)C1 1068920953 ZOWXNDMWVNXEEJ-NSHDSACASA-N 317.349 -0.292 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1COC2(C1)CN(C(=O)c1cn(C)nn1)C2 1069003987 REWZLZDAHSUBGG-NXEZZACHSA-N 318.337 -0.926 30 20 DBED N#Cc1nc(=NC[C@@H]2CC[C@H](NC(=O)c3cnn[nH]3)C2)cc[nH]1 1069518646 VSBVKVVKSOKZPA-ZJUUUORDSA-N 312.337 -0.101 30 20 DBED N#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2cscn2)C1 1069903067 CVKULEIVTGAYNW-KOLCDFICSA-N 303.351 -0.087 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CCCN(C(=O)CN2CCOCC2)C1 1070626938 TXVUHBMVQYECGS-CHWSQXEVSA-N 308.382 -0.415 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC[C@@H](NC(=O)CCCC(N)=O)C1 1070728268 MFDMDZZKFGWEGB-CHWSQXEVSA-N 323.393 -0.213 30 20 DBED Cn1nccc1CC(=O)N1CCC(=O)NCCN(CC#N)CC1 1070958808 UJLULWLVMNUPDM-UHFFFAOYSA-N 318.381 -0.863 30 20 DBED C[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1NC(=O)CC(N)=O 1071875335 ULFOJLNGKFFRDP-GZMMTYOYSA-N 303.322 -0.662 30 20 DBED C[C@@H]1CN(C(=O)c2cc(=O)n(C)o2)C[C@H]1NC(=O)C#CC1CC1 1071977183 ADSLDWKGHWUIKJ-ZYHUDNBSSA-N 317.345 -0.032 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)CCNC(N)=O)C[C@H]1C 1072067067 RADODBVVGJMRJJ-GHMZBOCLSA-N 312.370 -0.790 30 20 DBED C[C@H]1CN(C(=O)Cn2ncnn2)C[C@H]1NC(=O)C#CC(C)(C)C 1072166126 XLSAUOOEOMGORL-NWDGAFQWSA-N 318.381 -0.314 30 20 DBED C[C@@H]1CN(C(=O)c2cnon2)C[C@H]1NC(=O)CSCC#N 1072581831 GNQQUIGTGRUALK-PSASIEDQSA-N 309.351 -0.097 30 20 DBED N#CCN1CCCO[C@@H](CNC(=O)c2cn3c(n2)COCC3)C1 1073660721 MSLWCYROIHWJST-LBPRGKRZSA-N 319.365 -0.242 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)c2c[nH]c(C(N)=O)c2)C1 1073885965 CNOPNISJRJZNKL-LBPRGKRZSA-N 304.350 -0.433 30 20 DBED C=CCOCC(=O)N1CC[C@H](NC(=O)c2cn(C)nn2)[C@H](C)C1 1073930308 QNEFOMDVCJDSIP-NEPJUHHUSA-N 321.381 -0.016 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CCN(C(=O)Cc2cnoc2)CC1 1074685727 QQVJIPBDILRVIS-LLVKDONJSA-N 320.349 -0.154 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H](C)CCNC(=O)Cc1nnc(C)o1 1076373378 RIABSAYAFRHBQG-QWRGUYRKSA-N 322.365 -0.030 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCn3nccc32)C1 1077255892 SODAFRLJEYVRQC-GZBFAFLISA-N 302.378 -0.055 30 20 DBED C[C@@H](CCNC(=O)[C@H](C)C#N)NC(=O)C(=O)NCC(F)F 1078133183 CEXBLORTPZFGOJ-SFYZADRCSA-N 304.297 -0.462 30 20 DBED C=CCOCC(=O)N(CC)C1CN(C(=O)[C@H]2COCCO2)C1 1079490155 CMGBXSHCDOVVIR-CYBMUJFWSA-N 312.366 -0.336 30 20 DBED C#CCOCCC(=O)N(CC)C1CN(C(=O)CC(=O)N(C)C)C1 1079773735 WNJRDRYPHYLHKF-UHFFFAOYSA-N 323.393 -0.436 30 20 DBED CC#CCN1C[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)[C@H](C)C1 1080771377 GVUUNZRNXIZJIU-VXGBXAGGSA-N 306.366 -0.660 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2n[nH]c(C)c2O)C1 1081413368 GMIBCOIKBNREID-MNOVXSKESA-N 322.365 -0.061 30 20 DBED C#CCN1C[C@@H](NC(=O)c2ccc(C(N)=O)nc2)[C@H](OC)C1 1082395286 MQSZXDVBGRZYRN-CHWSQXEVSA-N 302.334 -0.757 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)Cc1nonc1C 1083237227 RXKSZBSSTRDRDV-UONOGXRCSA-N 304.350 -0.145 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CCc2c[nH]nc2C1 1083281313 FTCXKWNQFVUWNM-BYCMXARLSA-N 315.377 -0.050 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)[C@H]2OCCO[C@H]2C)C1 1083536871 PKUDDJCULQMQPV-USZNOCQGSA-N 304.774 -0.296 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCc3cnn(C)c3C2)C1 1083728371 SYTLDMKNRARUGX-KYOSRNDESA-N 302.378 -0.681 30 20 DBED N#CCN1CC[C@@H]2CCN(C(=O)CC[C@@H]3NC(=O)NC3=O)C[C@@H]21 1085089706 XUUSWPYRQXTBGI-WOPDTQHZSA-N 319.365 -0.579 30 20 DBED COCCN1C[C@H](C(=O)NC[C@H]2CC[C@@H](NCC#N)C2)CC1=O 1086710795 LZBMNVXHWPADMG-BFHYXJOUSA-N 322.409 -0.121 30 20 DBED C[C@@H]1CC[C@H](NC(=O)CNC(N)=O)CN1c1cnc(C#N)cn1 1089108931 CXOYHLDPAOLWAV-ZJUUUORDSA-N 317.353 -0.510 30 20 DBED C[C@H]1[C@@H](N=c2cc[nH]cc2C#N)CCN1C(=O)CCNC(N)=O 1090217867 ORMCBNDWWGJBFL-JQWIXIFHSA-N 316.365 -0.165 30 20 DBED C#CCN1CC[C@H](NC(=O)c2ccnc3[nH]nnc23)[C@H](O)C1 1090418945 BCDYFXHCRSWHSQ-WDEREUQCSA-N 300.322 -0.849 30 20 DBED C#CCCN1CC[C@@H](NC(=O)C(=O)N2CCC(C)CC2)[C@@H](O)C1 1090628770 CEDQZNPTSLBMQD-CABCVRRESA-N 321.421 -0.180 30 20 DBED C#CCN1CC[C@@H](NC(=O)Cn2c(C)cc(C)nc2=O)[C@H](O)C1 1090674422 UXARHCLTOWQHIB-ZIAGYGMSSA-N 318.377 -0.955 30 20 DBED N#Cc1cnccc1N1C[C@@H]2C(NC(=O)CNC(N)=O)[C@H]2C1 1093210921 QKMPEVKAXIJDSF-UWVGGRQHSA-N 300.322 -0.828 30 20 DBED N#Cc1c[nH]ccc1=NCCNC(=O)c1cncc(C(N)=O)c1 1093659534 JTNFOGHCQFGMGB-UHFFFAOYSA-N 310.317 -0.289 30 20 DBED C[C@]1(C(=O)NCCNc2ccc(C#N)nn2)CCCS1(=O)=O 1093721403 NSCDCUNCBHGBFV-CYBMUJFWSA-N 323.378 -0.156 30 20 DBED N#Cc1ccc(NCCNC(=O)C[C@H]2CCCC(=O)N2)nn1 1094259724 UPHSTFOLLLQHRO-SNVBAGLBSA-N 302.338 -0.065 30 20 DBED N#Cc1nc(=NCCCNC(=O)CCc2nc[nH]n2)cc[nH]1 1094363308 JCUKLGCZOKAXQX-UHFFFAOYSA-N 300.326 -0.561 30 20 DBED C=CCN1CCN(C(=O)Cn2ccnc2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094684448 YRJUCOFXKIUWBX-QWHCGFSZSA-N 324.406 -0.621 30 20 DBED C#CCCN1CC(N2C[C@H](NC(=O)Cn3cccn3)CC2=O)C1 1094706255 XXIVRRCDUJRNHT-CYBMUJFWSA-N 315.377 -0.692 30 20 DBED C[C@@]1(C(=O)N[C@@H]2CC(=O)N(C3CN(CC#N)C3)C2)CCCOC1 1094802460 ARMRQHBHYWIWGC-MLGOLLRUSA-N 320.393 -0.272 30 20 DBED CN(c1ccc(C#N)nn1)[C@@H]1CCN(C(=O)CCNC(N)=O)C1 1095117006 JZZAZDVDWYFFLP-LLVKDONJSA-N 317.353 -0.556 30 20 DBED C[C@H](NC(N)=O)C(=O)N1CCC(Nc2ccc(C#N)nn2)CC1 1095225381 OYESVIHNRBKELR-VIFPVBQESA-N 317.353 -0.192 30 20 DBED COC(=O)NCC(=O)N[C@@H]1CCCN(c2cnc(C#N)cn2)C1 1096137884 MHFCVIAPTRSDQT-SNVBAGLBSA-N 318.337 -0.211 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CCN(c2ncc(Cl)cn2)C1 1096359559 CWRGKVGOCWLWDF-NSHDSACASA-N 321.768 -0.036 30 20 DBED CNC(=O)CCCC(=O)NC[C@@H](C)N=c1cc[nH]c(C#N)n1 1097787164 CFZOUYRAKDKJPU-SNVBAGLBSA-N 304.354 -0.397 30 20 DBED CCc1nc(C#N)cc(N[C@H](C)CNC(=O)CC(=O)NC)n1 1097790337 WMQMVAHWCWQFQH-SECBINFHSA-N 304.354 -0.037 30 20 DBED C[C@@H](CNC(=O)C[C@H]1CC(=O)NC1=O)Nc1cnc(C#N)cn1 1097943946 OJPWQCJBFRCTTD-IUCAKERBSA-N 316.321 -0.682 30 20 DBED C[C@H](CNC(=O)CCS(C)(=O)=O)Nc1cnc(C#N)cn1 1098393192 ROQZSHXHLRVIEX-SECBINFHSA-N 311.367 -0.300 30 20 DBED C#CCN1C[C@@H]2CCC[C@]2(NC(=O)CN2CCN(C)C(=O)C2)C1 1098912254 AAMLGLSAYSEPSK-YOEHRIQHSA-N 318.421 -0.636 30 20 DBED C[C@H](CCNC(=O)CN1CCOCC1)N=c1cc[nH]c(C#N)n1 1099091939 SDYJQRKHOYOGRL-GFCCVEGCSA-N 318.381 -0.591 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)CSCC#N)[C@@H](O)C1 1099692550 CTLQSFNYUPKYCH-STQMWFEESA-N 313.423 -0.003 30 20 DBED CNC(=O)NCC(=O)NCC[C@@H](C)Nc1nc(C)cc(C#N)n1 1099748542 YOVAVMQBBLRTPT-SECBINFHSA-N 319.369 -0.108 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CNC(=O)N2CCCC2)[C@@H](O)C1 1099830425 RQJWMYFJMLSHKS-KGLIPLIRSA-N 322.409 -0.634 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2nc(C)c[nH]2)[C@H](O)C1 1100029618 QVPLBWVFHYNRAV-CHWSQXEVSA-N 306.366 -0.467 30 20 DBED CCN(CC)CC(=O)N[C@H]1CCN(CC#CCOC)C[C@@H]1O 1100049281 ZWOYYEAPKNQCTR-GJZGRUSLSA-N 311.426 -0.471 30 20 DBED C=CCCN1CC[C@@H](NC(=O)CS(=O)(=O)N(C)C)[C@@H](O)C1 1100092968 VNTNDUNDWDDRTM-NEPJUHHUSA-N 319.427 -0.995 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)c2ccn(C)n2)[C@@H](O)C1 1100110486 WOCIUBOYHDVWGU-OCCSQVGLSA-N 308.382 -0.212 30 20 DBED CC[C@@]1(C(=O)NCCN(C)c2ccnc(C#N)n2)CCNC1=O 1100401877 MYUARAVVPOXZFS-OAHLLOKOSA-N 316.365 -0.183 30 20 DBED CCN(CCNC(=O)[C@@H]1COC(=O)N1)c1nccnc1C#N 1100511454 ZRCKGCIIMCKJPN-JTQLQIEISA-N 304.310 -0.601 30 20 DBED C=CCCCNC1CC(CNC(=O)CNS(=O)(=O)NC)C1 1100537328 PGVWOUPPMOREDA-UHFFFAOYSA-N 318.443 -0.509 30 20 DBED CCN(CCNC(=O)c1cnn(C)n1)c1ccnc(C#N)n1 1100562899 GJADLOXSPMZASZ-UHFFFAOYSA-N 300.326 -0.267 30 20 DBED CCN(CCNC(=O)C1CS(=O)(=O)C1)c1nccnc1C#N 1100623780 FEYOVYKEPAPAGB-UHFFFAOYSA-N 323.378 -0.665 30 20 DBED C=CCO[C@H](C)C(=O)NCC1CC(NCc2nnn(C)n2)C1 1101057642 QRWVJBHBTWVWKY-VOMCLLRMSA-N 308.386 -0.214 30 20 DBED CCCN(CCNC(=O)[C@H]1CCC(=O)N1)c1cncc(C#N)n1 1101107632 OKCITOSLJSEARC-GFCCVEGCSA-N 316.365 -0.041 30 20 DBED CC(=O)N[C@@H](C)C(=O)NCCN(c1cnc(C#N)cn1)C1CC1 1101273952 HZGNHFSMWALWQE-JTQLQIEISA-N 316.365 -0.042 30 20 DBED CN(CCNc1ncc(C#N)cc1F)C(=O)Cn1ncnn1 1101800633 UMQAGDYUZFYDKB-UHFFFAOYSA-N 304.289 -0.351 30 20 DBED CC(C)[C@@H](CNC(=O)c1nnn(C)n1)Nc1ccc(C#N)nn1 1105265894 HCZRNJAYBBTKPA-SNVBAGLBSA-N 315.341 -0.262 30 20 DBED Cn1nccc1CC(=O)NC[C@H](O)CNc1ccc(C#N)nn1 1105806146 QVHRVHJDUNXDCG-GFCCVEGCSA-N 315.337 -0.787 30 20 DBED N#Cc1cnc(NC[C@@H](O)CNC(=O)c2ccnc(O)c2)cn1 1105816546 GTZTYRFSWWCKEL-LLVKDONJSA-N 314.305 -0.348 30 20 DBED COCCO[C@@H](C)C(=O)NC[C@H](O)CNc1ccc(C#N)nc1 1105963688 UHPMHZLZQOAAQA-SMDDNHRTSA-N 322.365 -0.106 30 20 DBED C=CCn1cc(C(=O)NC[C@@H](O)CNc2cnc(F)cn2)nn1 1106132284 XOZGRMBTANAQOX-VIFPVBQESA-N 321.316 -0.404 30 20 DBED C=C(C)CNC[C@@H]1CN(C(=O)C[C@@H]2NC(=O)NC2=O)C[C@H]1C 1106264643 IKVRKIOIGGOQDV-UTUOFQBUSA-N 308.382 -0.155 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)CN2CCN(C)C(=O)C2)C[C@H]1C 1106342999 LVEWYVSKNDPHBM-HUUCEWRRSA-N 320.437 -0.532 30 20 DBED C[C@@H](CCN=c1cc[nH]cc1C#N)NC(=O)C1(C(N)=O)CC1 1106549914 KPHGHTSQMCVIFD-JTQLQIEISA-N 301.350 -0.053 30 20 DBED N#Cc1cnc(NC/C=C\CNC(=O)[C@H]2COCCO2)cn1 1107043557 FSBRCXYZYVHNBQ-UDSFMNFJSA-N 303.322 -0.152 30 20 DBED COCC#CCN1CC(n2cc(CNC(=O)C(F)F)nn2)C1 1107114494 VSYXBWMQLUZMNO-UHFFFAOYSA-N 313.308 -0.334 30 20 DBED CC#CCN1CC(n2cc(CNC(=O)[C@@]3(F)CCOC3)nn2)C1 1107199064 DLGWUCLRKMJEPL-OAHLLOKOSA-N 321.356 -0.097 30 20 DBED CCS(=O)(=O)CC(=O)NC/C=C\CNc1ccc(C#N)nn1 1107222990 VJPFANWLICZRQZ-ARJAWSKDSA-N 323.378 -0.133 30 20 DBED C=CCOCCN1CCO[C@](C)(CNC(=O)c2cnn[nH]2)C1 1108046598 VURDPMGNAHSODV-CQSZACIVSA-N 309.370 -0.172 30 20 DBED CN1C(=O)CC[C@@H]1CC(=O)NC[C@@]1(C)CN(CC#N)CCO1 1108113924 YHIUDIUZDOEONK-DOMZBBRYSA-N 308.382 -0.272 30 20 DBED C=C(Br)CN1CCO[C@@](C)(CNC(=O)C(N)=O)C1 1108177126 OPCPYYISMSTFJX-NSHDSACASA-N 320.187 -0.413 30 20 DBED C=CCOCCN1CCO[C@](C)(CNC(=O)c2nc[nH]n2)C1 1108287575 WIIHMIRZYHJZBH-CQSZACIVSA-N 309.370 -0.172 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)c2cc(C(N)=O)c[nH]2)C1 1108304493 GHNZWHCITGHOOM-OAHLLOKOSA-N 304.350 -0.433 30 20 DBED CN(C)c1ccc(C(=O)NC[C@]2(C)CN(CC#N)CCO2)nn1 1108346877 AQWANXPFGLIFRM-OAHLLOKOSA-N 318.381 -0.113 30 20 DBED C[C@@H](CN=c1cc[nH]cc1C#N)NC(=O)[C@H](C)CS(C)(=O)=O 1108414100 WDBGWPZAJNSVGV-MNOVXSKESA-N 324.406 -0.028 30 20 DBED C[C@H](CN(C)c1cncc(C#N)n1)NC(=O)[C@@H]1CC(=O)N(C)C1 1109296728 ZIJJNJNCHYFVHS-GHMZBOCLSA-N 316.365 -0.233 30 20 DBED CNC(=O)NCC(=O)N(C)CCCNc1nc(C)cc(C#N)n1 1109656016 ZQTTTWLCFWBEIT-UHFFFAOYSA-N 319.369 -0.154 30 20 DBED C#CCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)COC 1110550629 XUBWWWAJFGEIQO-BARDWOONSA-N 310.394 -0.245 30 20 DBED CO[C@@H](C)CC(=O)NC[C@]1(O)CCN(c2cncc(C#N)n2)C1 1111045308 HXAFZTMMXYFHGP-XHDPSFHLSA-N 319.365 -0.169 30 20 DBED CC1(C)CN(c2ccnc(C#N)n2)CC[C@H]1NC(=O)CC(N)=O 1112371146 GCQRGIODRRFWSJ-SNVBAGLBSA-N 316.365 -0.055 30 20 DBED C#CCOCCC(=O)NC[C@H]1CN(c2ccnc(C)n2)C[C@@H]1O 1112737320 ASDKSYWJZAXGDZ-KBPBESRZSA-N 318.377 -0.262 30 20 DBED C[C@@H](CNC(=O)CNC(N)=O)N(C)c1ncc(C#N)cc1F 1113508063 DFLGJEPNJQMNQM-QMMMGPOBSA-N 308.317 -0.298 30 20 DBED C[C@@H](CNC(=O)[C@H](C)CC(N)=O)N(C)c1cncc(C#N)n1 1113799632 JYPFZUUKDJORKK-ZJUUUORDSA-N 304.354 -0.199 30 20 DBED C[C@H](CNC(=O)c1c[nH]c(=O)cn1)N(C)c1ccc(C#N)nn1 1113848794 FYNBVNCQAFAMHQ-SECBINFHSA-N 313.321 -0.314 30 20 DBED N#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)C[C@H]3CCCCO3)[C@H]2C1 1114117478 PSGRFESRFCCJIH-FOCJUVANSA-N 320.393 -0.368 30 20 DBED CNC(=O)NC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)C#CC(C)C)[C@H]2C1 1114234038 DQXZFQSGZPAMFM-NMKXLXIOSA-N 320.393 -0.464 30 20 DBED O=C(C#CC1CC1)N[C@H]1[C@@H]2CN(CCNC(=O)C3CC3)C[C@@H]21 1114258919 ZSCURBWKZKOTFQ-FOLVSLTJSA-N 301.390 -0.028 30 20 DBED CNC(=O)NCC(=O)N[C@H]1C[C@H](CN=c2cc[nH]c(C#N)n2)C1 1114820757 GJOBOUIMVQANKF-MGCOHNPYSA-N 317.353 -0.994 30 20 DBED C[C@H](CCCNc1cnc(C#N)cn1)NC(=O)CNC(N)=O 1114836516 HEBDOMUNXXGNTN-SECBINFHSA-N 305.342 -0.287 30 20 DBED C=C(C)CCN1C[C@H]2C(NC(=O)C[C@H](NC(C)=O)C(N)=O)[C@@H]2C1 1114932288 HXTLLKSKNBNDDA-UPJWGTAASA-N 322.409 -0.621 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)CCc3cn[nH]c3)[C@H]2C1 1114949359 LHJTZLPFISDCSZ-STQMWFEESA-N 317.393 -0.309 30 20 DBED Cc1cc(=N[C@@H](CO)CNC(=O)c2cn[nH]c2)c(C#N)c[nH]1 1121100844 ZKIZRSXDIWIDGW-GFCCVEGCSA-N 300.322 -0.391 30 20 DBED C=CCn1c(N2CCN(C(C)=O)CC2)nnc1[C@@]1(O)CCOC1 1121726216 PVBQEFCXSBZHHK-OAHLLOKOSA-N 321.381 -0.260 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H](CO)Nc2cncc(C#N)n2)cn1 1121847302 MMTAFKQFIRIBGO-AWEZNQCLSA-N 322.328 -0.073 30 20 DBED C#CCNC1CC2(C1)CC(NC(=O)COCc1nncn1C)C2 1122000743 IKVJDXQACAOYRU-UHFFFAOYSA-N 317.393 -0.018 30 20 DBED C=C(C)CN(CC)C(=O)CNCCNC(=O)[C@@H](C)NC(C)=O 1123072798 YHHFQENLPXCHSF-GFCCVEGCSA-N 312.414 -0.359 30 20 DBED Cc1cc[nH]c1C(=O)N(C)C[C@@H](O)CN=c1cc[nH]c(C#N)n1 1124266299 GOOIBFSUBCAVNT-NSHDSACASA-N 314.349 -0.048 30 20 DBED CC[C@H](C(=O)N(C)C[C@H](O)CN=c1cc[nH]c(C#N)n1)N(C)C 1124454777 LWFOHEYSIYHNIS-VXGBXAGGSA-N 320.397 -0.658 30 20 DBED CN(C[C@H](O)CN(C)c1cncc(C#N)n1)C(=O)c1cc[nH]n1 1125017863 JEVWJIFYBQMBLQ-LLVKDONJSA-N 315.337 -0.359 30 20 DBED CC(C)N(CCN(C)c1ccnc(C#N)n1)C(=O)CNC(N)=O 1125435782 RMBCYBLLIFECKO-UHFFFAOYSA-N 319.369 -0.310 30 20 DBED C[C@H](NC(N)=O)C(=O)NCCNCc1ccc(F)c(C#N)c1 1126199418 SQFCSANHFZKSEQ-VIFPVBQESA-N 307.329 -0.040 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)COCCOC)CC1 1131339796 QCIDQXKLDSWUPN-UHFFFAOYSA-N 313.398 -0.514 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1cc(=O)c(OC)c[nH]1 1131360797 PNRMKQRDORJZJG-UHFFFAOYSA-N 308.338 -0.995 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H](C)O[C@]2(CCN(CC)C2)C1 1131653501 SUZODCRGCIIPAX-BBRMVZONSA-N 307.394 -0.162 30 20 DBED C=CCOCCNCCNC(=O)[C@@H]1COCCN1CC(F)F 1131824550 CKTACDOAZQKXBQ-LBPRGKRZSA-N 321.368 -0.139 30 20 DBED C=CCCCCCNCCNC(=O)CNS(=O)(=O)NC 1131832030 WFIIZKRPFSNVJR-UHFFFAOYSA-N 306.432 -0.508 30 20 DBED COCC#CCN1C[C@H](NC(=O)Cn2cnnc2O)CC[C@H]1C 1131977289 UZKNIZLZCSUKHK-CHWSQXEVSA-N 321.381 -0.397 30 20 DBED C[C@H]1CC[C@@H](NC(=O)c2cn(C)nn2)CN1CC(=O)NCC#N 1132037930 KXZCSKQNGKYTSE-WDEREUQCSA-N 319.369 -0.962 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)Cc2cnoc2)CC[C@H]1C 1132235318 LKZRSYUOWMGDFO-OCCSQVGLSA-N 318.377 -0.064 30 20 DBED C=C(C)C[C@@H](C)C(=O)NCCNCC(=O)N1CCNC(=O)C1 1132653790 SGDHEJUWFVNVSL-GFCCVEGCSA-N 310.398 -0.747 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)C2(C(N)=O)CC2)CC[C@@H]1C 1133084848 ZBPGMTAWGSWBLR-UONOGXRCSA-N 321.421 -0.024 30 20 DBED CC#CCN[C@H](C)C[C@@H](C)NC(=O)CN1CCN(C)C(=O)C1 1134787225 JAXIPTJBNYPHAM-ZIAGYGMSSA-N 308.426 -0.343 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1cc(C(F)(F)F)n[nH]1 1135298495 RMDKCHYCJOWVAN-UHFFFAOYSA-N 318.259 -0.612 30 20 DBED C=CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)c1cn(C)c(O)n1 1135387277 MUPYVOICFWFUFB-QWRGUYRKSA-N 323.397 -0.086 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)[C@@H](C)Cc1cnn(C)c1 1136012008 ISKCKYNSCFOPQW-STQMWFEESA-N 321.425 -0.005 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC2(CCN(C[C@@H](O)COC)C2)C1 1147445403 FRYVXJARRHRJBN-UKRRQHHQSA-N 312.410 -0.145 30 20 DBED CC#CCN1CCC(CCOC)(NC(=O)[C@@H]2CNC(=O)N2)CC1 1151281817 RROWSZWCWXHEAU-ZDUSSCGKSA-N 322.409 -0.322 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)[C@H]1CCc2nncn2C1 1152162518 XXUMFZMEEWUAAS-RYUDHWBXSA-N 320.397 -0.763 30 20 DBED C#CCN(CC)[C@H](C)CNC(=O)c1ccc(=O)n(CCOC)n1 1154232788 ABGDEAJQISZYPE-CYBMUJFWSA-N 320.393 -0.037 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)C[C@@H]1CCNC1=O 1159809915 WKVLJZAXAPYQTF-NEPJUHHUSA-N 310.398 -0.701 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC=C(CCNC(=O)C(N)=O)CC1 1161071204 WDOKDNSWAYJJJK-LLVKDONJSA-N 308.382 -0.699 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)CCn1ccnc1 1163598915 JAMHEAYTRORLNF-CYBMUJFWSA-N 305.382 -0.493 30 20 DBED CCS(=O)(=O)N(C)CC(=O)NCCCNCC#CCOC 1169806950 AEEYWJVQJPLFPE-UHFFFAOYSA-N 319.427 -0.986 30 20 DBED C[C@@H](CCCCNCC(=O)NCC#N)NC(=O)c1cnnn1C 1170523372 OZPYZPOOFCSMOM-NSHDSACASA-N 321.385 -0.667 30 20 DBED C[C@@H](CCCCNCC(=O)NCC#N)NC(=O)Cc1ncc[nH]1 1175881805 WSELHWAQDHWFQI-LBPRGKRZSA-N 320.397 -0.143 30 20 DBED C#CCOCCC(=O)N1CC[C@@H]2OCCN(CCOC)[C@@H]2C1 1177012842 MZLZLBAFYKUSHT-CABCVRRESA-N 310.394 -0.026 30 20 DBED C=CCOCC(=O)N1CC[C@@H](NCC(=O)NCCOCC)C1 1181644103 FJGUADNGHXUONN-CYBMUJFWSA-N 313.398 -0.468 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)CCc2nc(C)no2)C1 1184731714 RYYNEHPLRHENOW-GFCCVEGCSA-N 321.381 -0.197 30 20 DBED CC#CCN1C[C@@H]2CCN(C(=O)[C@H](C)NS(C)(=O)=O)[C@@H]2C1 1189247136 XYKWGYVQNNUGEN-RWMBFGLXSA-N 313.423 -0.520 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](N(C)[C@@H](C)c2nnnn2C)C1 1190129284 SIAYNFONOOXVSP-QWHCGFSZSA-N 320.397 -0.156 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3ccn(C)n3)[C@@H]2C1 1190149201 UJDXHMCVKJPWGL-GXTWGEPZSA-N 315.377 -0.684 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN([C@@H](C)c2nnnn2C)C[C@H]1O 1192762424 ZPYKKONWYCZGDB-QJPTWQEYSA-N 306.370 -0.908 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CN(CCCO[C@@H]2CCOC2)C[C@H]1O 1192827144 QGJQOUAIIOMKRI-BZUAXINKSA-N 322.405 -0.243 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)CCNC(=O)COC)C1 1193456407 RMNZKVTZHOUPLV-GHMZBOCLSA-N 319.789 -0.947 30 20 DBED C[C@H](C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1O)C(C)(F)F 1196260561 RYSHSYRGIDPSOM-OPRDCNLKSA-N 318.324 -0.921 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCCN(C(=O)[C@H]2CCNC2=O)CC1 1196724576 KZDVEQSKXUDZJN-OLZOCXBDSA-N 322.409 -0.653 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)CCCO1 1200786560 GQRXBKMWAANHCR-BZUAXINKSA-N 323.437 -0.064 30 20 DBED C#CCNC[C@H]1CN(C(=O)C2(C(=O)NC)CCC2)CCCO1 1201924153 CSMBUSCPCDKQFR-ZDUSSCGKSA-N 307.394 -0.257 30 20 DBED C[C@@H]1COCC[C@@H]1C(=O)N1CCC(NCC(=O)NCC#N)CC1 1202380120 QBTPMQSQJDWLEP-OCCSQVGLSA-N 322.409 -0.121 30 20 DBED C#CCN[C@H]1C[C@H](NC(=O)CNS(=O)(=O)CC)C12CCC2 1202996856 UBRPSUWCNKMVHI-RYUDHWBXSA-N 313.423 -0.424 30 20 DBED CCN(C)CCC(=O)N1CCC(NCC(=O)NCC#N)CC1 1203203806 RNSRVUJAHCWRBD-UHFFFAOYSA-N 309.414 -0.451 30 20 DBED C[C@@H]1C[C@H](C(=O)N2CCC(CNCC(=O)NCC#N)CC2)CO1 1205552292 FZJMHEXRECKQOR-OCCSQVGLSA-N 322.409 -0.121 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)c2n[nH]c(C)c2O)C1 1207806171 BCXKSDFZXGOWJY-LLVKDONJSA-N 321.381 -0.080 30 20 DBED C[C@@H]1CC[C@H](C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@H]2C)O1 1208747019 KTWQKBIDGBDMBK-FDYHWXHSSA-N 308.382 -0.370 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)/C=C(\C)C2CC2)[C@H](OC)C1 1211955217 YNPHJCRUZCETGR-OFCDUSSDSA-N 319.405 -0.093 30 20 DBED C#CCCCC(=O)N[C@@H]1CN([C@@H](C)C(=O)NC(N)=O)C[C@H]1OC 1212184991 LAKAFDXQDHDUIZ-QJPTWQEYSA-N 324.381 -0.811 30 20 DBED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)C1(C2CC2)CC1 1212442773 XDLPNCXPQKBDLM-CHWSQXEVSA-N 320.393 -0.368 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CCN(C)C2)C[C@H]1C 1216749923 HCJAWGBTCIPWJP-MGPQQGTHSA-N 306.410 -0.876 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)CCCF 1218481713 RKVRZCXFQVZNRV-QWHCGFSZSA-N 313.373 -0.050 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)/C=C\C2CC2)C1 1219419938 IXYIFYSLGITKHK-YYWDSJPTSA-N 307.394 -0.195 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(Cc2nccn2CC)C[C@@H]1O 1219527713 ZPKJELPUGBMDDW-WWGRRREGSA-N 322.409 -0.109 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(Cc2nocc2C)C[C@@H]1O 1219535785 FUDCDZMNLWMPHF-IPYPFGDCSA-N 309.366 -0.029 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2cncn2C)C[C@@H]1O 1219613366 FLYJETGAEFSZCI-KGLIPLIRSA-N 306.366 -0.879 30 20 DBED C=C/C(C)=C\CC(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@@H]1O 1220170039 YMGGRARYJDADKJ-GKADRNHJSA-N 306.366 -0.690 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2C2CCC2)C1 1220516894 KJYJRSPLLDVYIF-YJNKXOJESA-N 319.405 -0.667 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)CN(C(C)=O)c2ccccc2)C1 1221031222 ZMPQCZRAIAGRIH-CVEARBPZSA-N 315.373 -0.166 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)c2nonc2C)C1 1222104366 HUTRIDRSRBJRIF-NSHDSACASA-N 307.354 -0.126 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)c2n[nH]cc2F)CC1 1224402595 NCYKFLFNYJRTHT-UHFFFAOYSA-N 321.356 -0.260 30 20 DBED C=C(C)CN[C@H]1CCN(C(=O)CS(=O)(=O)CCOC)C1 1266535080 RVBLHZNARRWHNF-LBPRGKRZSA-N 304.412 -0.186 30 20 DBED COC(=O)N(C)CC(=O)NCCN/C(O)=C1/N=CC=CC1=O 1318402952 LITIUMFEQCTPCP-QXMHVHEDSA-N 310.310 -0.673 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@H](C)n2ccnc2)CC1 1318499530 NPKCVDATYNQGOV-AWEZNQCLSA-N 317.393 -0.272 30 20 DBED C[C@@H](C(=O)NCC1CCN(CC#N)CC1)N1CCN(C)CC1 1319137536 LIDKXMXXORDIPW-AWEZNQCLSA-N 307.442 -0.026 30 20 DBED N#CCN1CCC(NC(=O)C(=O)N[C@H]2CCN(C3CC3)C2)CC1 1321889730 SOXQPDFSIJECJP-ZDUSSCGKSA-N 319.409 -0.557 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N(C)CCCOC 1323782367 YODJKTCVIADTOF-UHFFFAOYSA-N 306.384 -0.802 30 20 DBED C#CC[C@H](CO)NC(=O)c1cnn2c1C[C@@H](CNC(C)=O)CC2 1325084172 JPCDXXYQMGRWJH-QWHCGFSZSA-N 318.377 -0.304 30 20 DBED C=CC1CCN(C(=O)C(=O)N(C)CC(=O)N2CCOCC2)CC1 1325605711 SPZBQYPALAZLQZ-UHFFFAOYSA-N 323.393 -0.272 30 20 DBED CS(=O)(=O)c1ccccc1CC(=O)OCC(=O)NCC#N 1325725074 YAUCRTXAAHVLKO-UHFFFAOYSA-N 310.331 -0.184 30 20 DBED C[C@@H]1CC(=O)NCCN1C(=O)C(=O)Nc1cnn(CC#N)c1 1326016708 URWCRYDJFPGGFC-SECBINFHSA-N 304.310 -0.918 30 20 DBED C[C@@H]1COCCCN1C(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1329272869 KACWRPFPRSWVNF-TZMCWYRMSA-N 320.393 -0.177 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)NCc1nc(C(F)(F)F)n[nH]1 1329627214 UUFBCOYHWUVPLL-ZCFIWIBFSA-N 321.259 -0.243 30 20 DBED Cn1nnc(CNC(=O)C(=O)NCCc2ccc(C#N)cc2)n1 1330954585 XHHIHCMPIRDZPV-UHFFFAOYSA-N 313.321 -0.943 30 20 DBED C=CCn1cc(CNC(=O)C(=O)NCC2(OC)CCC2)nn1 1332041578 FYDYQDPNYDDHKQ-UHFFFAOYSA-N 307.354 -0.234 30 20 DBED C#CCN1CCC[C@@H](NC(=O)C(=O)Nc2cncnc2OC)C1 1333584936 UFCCVRYIQGTPRJ-LLVKDONJSA-N 317.349 -0.363 30 20 DBED CC(C)OC[C@H](CO)N(C)C(=O)C(=O)N1CCC[C@@H](C#N)C1 1335561691 RFPWEZSOVYENTH-STQMWFEESA-N 311.382 -0.007 30 20 DBED N#C[C@]1(F)CCN(C(=O)C(=O)N[C@@H]2CCCS(=O)(=O)C2)C1 1342119983 JIFDTVRHROETJH-BXKDBHETSA-N 317.342 -0.856 30 20 DBED C#CCOCCNC(=O)C(=O)Nc1cc([C@@H]2CCCO2)nn1C 1344076805 OVGWIZJOAVYBJX-LBPRGKRZSA-N 320.349 -0.024 30 20 DBED CNS(=O)(=O)N1CCC(C(=O)N[C@]2(C#N)CC2(C)C)CC1 1347540380 YPNRHMQRQJJASB-ZDUSSCGKSA-N 314.411 -0.029 30 20 DBED CC(C)N1CCN(C(=O)C(=O)N2CC[C@@](F)(C#N)C2)CC1=O 1348330047 XTUJEDOVHAOFSY-CQSZACIVSA-N 310.329 -0.470 30 20 DBED N#CCCC[C@H](N)C(=O)NCc1cccc(S(N)(=O)=O)c1 1348860381 OMHUBMIWIJFBSP-LBPRGKRZSA-N 310.379 -0.029 30 20 DBED C=C(C)COCCNC(=O)C(=O)N1CC[C@H](C2OCCO2)C1 1354753712 YLHHZHKJPTULSS-LBPRGKRZSA-N 312.366 -0.083 30 20 DBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)c1ccc(=O)n(C)n1 1362603153 NRCQQSIISIKABY-UHFFFAOYSA-N 315.337 -0.338 30 20 DBED N#Cc1cn(CCNC(=O)CCc2cnccn2)c(=O)nc1O 1363284389 CGOMOCASUIBKAO-UHFFFAOYSA-N 314.305 -0.640 30 20 DBED C[C@H](CNCC(=O)Nc1cnccn1)CNC(=O)[C@H](C)C#N 1378561814 UHECZQKFJWCQLI-GHMZBOCLSA-N 304.354 -0.083 30 20 DBED C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)[C@H]1CC(=O)N(C)C1 1386713588 KQCLQJMQUFAYSG-ONGXEEELSA-N 317.349 -0.401 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCN(C)C(=O)[C@@H]1CCCS1(=O)=O 1391845866 UVXJHVUQJQKJIY-QWRGUYRKSA-N 315.395 -0.360 30 20 DBED C[C@H](CCNC(=O)Cn1cncn1)NC(=O)c1c[nH]c(C#N)c1 1397856694 WODQMQQQXKRLRH-SNVBAGLBSA-N 315.337 -0.197 30 20 DBED CCC[C@H](NC(=O)CCn1cc(C#N)c(O)nc1=O)C(=O)OC 1412779698 YOEORPZVFMTEQQ-JTQLQIEISA-N 322.321 -0.331 30 20 DBED C[C@@H](Nc1[nH]c(=O)n(C)c(=O)c1C#N)C(=O)NCC(F)(F)F 1413886681 OWEQSJKZALNWDE-RXMQYKEDSA-N 319.243 -0.576 30 20 DBED Cn1cc(C(=O)NC[C@H](O)CNCc2ccc(C#N)cc2)nn1 1422299193 BBRWJZUPHNWBLV-CYBMUJFWSA-N 314.349 -0.433 30 20 DBED C=C(Cl)CNC[C@@H](O)CNC(=O)[C@H](NC(N)=O)C(C)(C)C 1422406169 XIMXVFJTCSQRPX-ZJUUUORDSA-N 320.821 -0.111 30 20 DBED N#Cc1ccc(N2C[C@@H](C(=O)N[C@@H]3COC[C@H]3O)CC2=O)cc1 1433994391 OSSKCFDMJYHWML-IACUBPJLSA-N 315.329 -0.213 30 20 DBED Cn1cc([C@@H]2C[C@@H](NC(=O)Cn3cnc(C#N)n3)CCO2)cn1 1434029338 HMURPBGOOQPWPI-RYUDHWBXSA-N 315.337 -0.080 30 20 DBED CC(C)N1CCC(C(=O)NC[C@H](O)CNC(=O)[C@@H](C)C#N)CC1 1533320269 KBRXIXUOKSUNSM-GXTWGEPZSA-N 324.425 -0.140 30 20 DBED CS(C)(=O)=NC(=O)CNc1cnc(C#N)c(-c2nn[nH]n2)n1 1580173072 YCIUUTIICAJSSZ-UHFFFAOYSA-N 321.326 -0.806 30 20 DBED C#CCn1cc(CNC(=O)Cc2ccc(-c3nn[nH]n3)nc2)cn1 1588363985 MESINHIYQIPBDL-UHFFFAOYSA-N 322.332 -0.050 30 20 DBED C#CCN1CCN(C(=O)CN2CCC[C@@H]3C[C@@]32C(=O)O)CC1 1588477404 PPHKQGRCPYWLHT-CJNGLKHVSA-N 305.378 -0.297 30 20 DBED CC(C)n1cc(Cn2c(=O)c(C#N)cn(CC(=O)O)c2=O)nn1 1588982585 MYHQRMKATFJRQB-UHFFFAOYSA-N 318.293 -0.813 30 20 DBED COC(=O)C1(C#N)CCN(c2cc(-c3nn[nH]n3)cnn2)CC1 1591242461 MSTLTHPBVOAIKU-UHFFFAOYSA-N 314.309 -0.060 30 20 DBED N#CCNC(=O)CNC(=O)NCCOc1ccc(C(=O)O)cc1 1601074476 AJXMRORQLYHRGE-UHFFFAOYSA-N 320.305 -0.297 30 20 DBED N#Cc1cc(C(=O)NC2CN(C(=O)[C@@H]3C[C@H]3C(=O)O)C2)c[nH]1 1601085800 MTCMXBAVCBAZBS-GHMZBOCLSA-N 302.290 -0.452 30 20 DBED C=CCN1CC[C@H](n2nc(C)c(C)c(-c3nn[nH]n3)c2=O)C1=O 1602862590 KMUCNTHPNMTFSM-JTQLQIEISA-N 315.337 0.000 30 20 DBED C[C@H]1CN(c2cnc(C#N)c(-c3nn[nH]n3)n2)CC[S@](=O)C1 1603940634 JBBNWZNIHJSWPA-ZCAPAMDOSA-N 318.366 -0.267 30 20 DBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@]1(C(=O)O)CCCO1 1604174905 JVAICNZBFDKPHE-AWEZNQCLSA-N 321.337 -0.112 30 20 DBED C[C@](CO)(NCCS(=O)(=O)c1ccc(C#N)cn1)C(=O)O 1604197210 WRTLOYMUYIRHQM-GFCCVEGCSA-N 313.335 -0.848 30 20 DBED CO[C@]1(C(=O)O)CCN(S(=O)(=O)c2ccc(C#N)nc2)C1 1606707024 USRMMTPPABVCIU-GFCCVEGCSA-N 311.319 -0.183 30 20 DBED N#Cc1c(COC(=O)[C@@H]2CCS(=O)(=O)N2)cccc1C(=O)O 1608190473 GMJXOEICNRLUDM-NSHDSACASA-N 324.314 -0.009 30 20 DBED C=CCSCCNC(=O)C(=O)N1C[C@H](O)C[C@@H](C(=O)O)C1 1609461603 DXNKGLXYQFVFGG-NXEZZACHSA-N 316.379 -0.684 30 20 DBED N#C[C@@]1(F)CCN(S(=O)(=O)c2cncc(-c3nn[nH]n3)c2)C1 1609494919 POZWXSRENKTQLN-NSHDSACASA-N 323.313 -0.112 30 20 DBED N#Cc1ccccc1OCC(=O)NS(=O)(=O)CCC(=O)O 1610632548 AWDREJGHYDEOOP-UHFFFAOYSA-N 312.303 -0.142 30 20 DBED CN(C)c1nccc(CNC(=O)NCCn2cnc(C#N)n2)n1 1647188116 FPBVWONIBXZROA-UHFFFAOYSA-N 315.341 -0.495 30 20 DBED COCC#CCN(C)CCCNC(=O)[C@@H]1CCc2nncn2C1 1752122441 YWVAJGMVORAWCL-CQSZACIVSA-N 319.409 -0.072 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H](CNC(=O)c1nc(C)c[nH]1)C1CC1 1752512961 JPSKEZUJMYLGKI-YPMHNXCESA-N 317.393 -0.046 30 20 DBED CC#CCNC[C@H]1CCN(C(=O)CC[C@@H]2NC(=O)NC2=O)C1 1752971898 IJAWRMMAWSWTDW-NEPJUHHUSA-N 306.366 -0.564 30 20 DBED C#CCNC(=O)[C@H](C)N(C)CCNC(=O)CCc1cnc[nH]1 1753053837 WFFYSHPYFCHVMP-LBPRGKRZSA-N 305.382 -0.472 30 20 DBED C#CCNC(=O)CN(CCNC(=O)c1cn(CC)nn1)C1CC1 1753161264 CIINDWLLBPFMQY-UHFFFAOYSA-N 318.381 -0.758 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CCN(CCN2C(=O)CNC2=O)C1 1753432787 VYTCYSOSQQFMQW-MNOVXSKESA-N 307.354 -0.769 30 20 DBED C#CCNC(=O)CN1CC[C@H](N(C)C(=O)CCCC(=O)NC)C1 1753434383 CVHBBQWHHAFONQ-ZDUSSCGKSA-N 322.409 -0.815 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H]1CN(Cc2n[nH]c(C)n2)CCO1 1753648748 MJKYGCPGUNBYNE-WCQYABFASA-N 321.381 -0.532 30 20 DBED CN1CC(=O)N(CC(=O)N[C@@H]2CCC[C@@H]2CNCC#N)C1=O 1753897777 OBNLWBIFUORIKO-GHMZBOCLSA-N 307.354 -0.722 30 20 DBED N#CCNC(=O)CNC/C=C/CNC(=O)C1CC(F)(F)C1 1754107728 VFZVXKPCJQDXSV-OWOJBTEDSA-N 300.309 -0.067 30 20 DBED C#CCOCCC(=O)N[C@H](CN[C@H]1CCN(C)C1=O)C1CC1 1754438913 IKKFNSOJNXSULC-UONOGXRCSA-N 307.394 -0.259 30 20 DBED C=CCNC(=O)NC(=O)CNC1(CNC(=O)[C@@H](F)CC)CC1 1754528160 OAUMMGJFYWABTH-JTQLQIEISA-N 314.361 -0.015 30 20 DBED C#CCCN1CCC(N(CC#C)C(=O)CNC(=O)NC)CC1 1754639025 SYIRTJYZQDYKMF-UHFFFAOYSA-N 304.394 -0.135 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC[C@](C)(NC(=O)CNC(C)=O)C1 1754664061 CWGUNVOSBLILTJ-ABAIWWIYSA-N 310.398 -0.606 30 20 DBED C=CCC[C@H](C)N1CC(O)(CNC(=O)Cn2ncn(C)c2=O)C1 1754769660 IIZKCOMNKICEGQ-LBPRGKRZSA-N 323.397 -0.901 30 20 DBED C#CCNC(=O)CN1CCC(CO)(NC(=O)CC2CC2)CC1 1755176022 QMRHTRXLSJAOOV-UHFFFAOYSA-N 307.394 -0.521 30 20 DBED C=CCNC(=O)CN[C@H](C)[C@@H](C)NC(=O)Cn1ccccc1=O 1755269769 QYPKHCBBHPPJIL-CHWSQXEVSA-N 320.393 -0.367 30 20 DBED C#CCN[C@H](CO)CNC(=O)[C@H]1CCCN(C(=O)C2CC2)C1 1755629281 KHVDSUJHMBQMSV-KBPBESRZSA-N 307.394 -0.665 30 20 DBED Cc1cc(C(=O)N2C[C@H](NCC(=O)NCC#N)C[C@@H]2C)on1 1755671309 XNHUZCDBRFFPKF-WDEREUQCSA-N 305.338 -0.185 30 20 DBED C#CCCCC(=O)NCC1[C@H]2CN(C(=O)CNC(=O)NC)C[C@H]12 1756201066 ZJJMKARFZGQOMC-CHWSQXEVSA-N 320.393 -0.461 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@H](O)CN(C)C(=O)c1ccccn1 1756651606 NEXFNVPTLJHUDH-WBMJQRKESA-N 321.377 -0.042 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(C(=O)CC(N)=O)CC[C@H]1C 1756806371 YGOCKYBNUSPJDQ-CHWSQXEVSA-N 323.393 -0.498 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@H](NC(=O)CNC(=O)CC)[C@H]1C 1757504717 HGHKJZCFUFDTLQ-AGIUHOORSA-N 323.393 -0.344 30 20 DBED C=C(C)CCC(=O)N1CC[C@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 1757559301 KYOVLAASCLREAU-RYUDHWBXSA-N 322.369 -0.893 30 20 DBED COC(=O)c1cc(C#N)c(=O)n(CC(=O)N2CCOCC2)c1 25962205 PPBBXIRPOQWUKA-UHFFFAOYSA-N 305.290 -0.635 30 20 DBED CCc1nncn1CCNc1c(C#N)c(=O)n(C)c(=O)n1C 78560979 OAILEVAAYJSNEE-UHFFFAOYSA-N 303.326 -0.778 30 20 DBED C=CCN(CC(=O)O)S(=O)(=O)N1CCC(C(=O)OC)CC1 92464073 KJMDSAFDELSRRJ-UHFFFAOYSA-N 320.367 -0.311 30 20 DBED N#C[C@@H]1CN(CC(=O)N2CCN(c3cnccn3)CC2)CCO1 193339585 YREUSYRPYBDBPX-CYBMUJFWSA-N 316.365 -0.650 30 20 DBED C=CCN(CC(=O)NC[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 246453144 FADQPRDLWMCGPJ-STQMWFEESA-N 316.423 -0.043 30 20 DBED Cn1c(N2C[C@@H]3C[C@H]4C[C@H]3[C@@H]2[C@H]4O)c(C#N)c(=O)n(C)c1=O 249403470 CJAINDWHMITZCL-XVPYXCLNSA-N 302.334 -0.839 30 20 DBED C=CCN(CCC(=O)N1CCNCC1)[C@@H]1CCS(=O)(=O)C1 261955430 ACWDXXHEWYREJP-CYBMUJFWSA-N 315.439 -0.517 30 20 DBED COC[C@H](O)CNC(=O)C(=O)N1CCc2ccc(C#N)cc21 270194672 NZMZPFKGIPVPDN-GFCCVEGCSA-N 303.318 -0.429 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCc2cnn(C)c2)C1=O 299465685 AEVQQNXLOFQVCN-UHFFFAOYSA-N 305.294 -0.987 30 20 DBED O=C(C/N=C(/O)N1CCN(C2CC2)C(=O)C1)N1CCOCC1 328632384 AIKZIDKUFYYSSX-UHFFFAOYSA-N 310.354 -0.934 30 20 DBED COCCN1CCN(/C(O)=N/CCN2C(=O)CCC2=O)CC1 329482985 DYZWZFQQRTVISP-UHFFFAOYSA-N 312.370 -0.687 30 20 DBED CC(C)N1CC[C@H](/N=C(/O)N2CCN3CCOC[C@H]3C2)C1=O 329852749 RRETWQVXZHEHLF-OLZOCXBDSA-N 310.398 -0.074 30 20 DBED Cn1nnc(C/N=C(/O)N2CCC[C@@H](Cn3ccnn3)C2)n1 330241841 WGWASDMYVDFRIW-SNVBAGLBSA-N 305.346 -0.372 30 20 DBED CNS(=O)(=O)CC/N=C(/O)N1CCC[C@@H](C(=O)OC)C1 331318412 ZHYLJDJAIQCZRD-SECBINFHSA-N 307.372 -0.665 30 20 DBED CSC[C@@H](CCO)NS(=O)(=O)N1CCO[C@H](C#N)C1 337072414 PKXQBTWRQJPLNQ-NXEZZACHSA-N 309.413 -0.841 30 20 DBED C=CCNC(=O)CNC(=O)C(=O)Nc1cc(C)n([C@H](C)CC)n1 347225991 CRILNVGZQHBWBV-SNVBAGLBSA-N 321.381 0.519 30 20 DBED CN(C(=O)C(=O)Nc1ccc(F)cc1C#N)[C@H]1COC[C@H]1O 356928199 VSTYTHYZYAXSTA-NWDGAFQWSA-N 307.281 -0.146 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1CCN([C@H]2CCC[C@H]2O)CC1 369259132 NHEHYXQDRTXLCI-MELADBBJSA-N 324.425 -0.082 30 20 DBED CCS(=O)(=O)N1CCC[C@@H](C(=O)N2CCO[C@@H](C#N)C2)C1 408094169 GIAUZGDUNLUNCQ-NEPJUHHUSA-N 315.395 -0.201 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CCC[C@@H]2CNC)nn1 424547578 OTKOHHVSSWFPAD-GFCCVEGCSA-N 306.370 -0.709 30 20 DBED N#Cc1ncn(CC(=O)NCC(=O)N2CCc3ccccc3C2)n1 426448364 QETRJCLCZJDTIU-UHFFFAOYSA-N 324.344 -0.149 30 20 DBED COc1cc(C#N)ccc1NC(=O)C(=O)N(C)C[C@H](O)CO 527438440 LHJBWYRCSZYDBP-JTQLQIEISA-N 307.306 -0.683 30 20 DBED COc1cc(C#N)ccc1NC(=O)C(=O)NCC(=O)NC1CC1 546003035 UOPYTGDFTKTWAL-UHFFFAOYSA-N 316.317 -0.100 30 20 DBED CNC(=O)[C@@H]1CN(c2ccc(C(=O)OC)nc2C#N)CCO1 564239560 BXGSSQPUZLOQFR-LBPRGKRZSA-N 304.306 -0.309 30 20 DBED CC[C@@H](CC#N)NCC(=O)c1c(O)nc(=O)n(CCOC)c1N 567912157 GZUMUHMKOFKOLI-VIFPVBQESA-N 323.353 -0.358 30 20 DBED CC(C)NS(=O)(=O)CCNC[C@@H](O)CN(C)CCC#N 583317761 XBTQNEPCSDUGFZ-GFCCVEGCSA-N 306.432 -0.890 30 20 DBED C=CCNC(=O)[C@@H]1CCCN1C(=O)c1ccc2c(c1)COB2O 584945676 RUVNLJMITJCHTQ-AWEZNQCLSA-N 314.150 -0.189 30 20 DBED CN(CCC#N)C[C@@H](O)CNCc1cc(=O)n2ccccc2n1 592998894 ZTQKKZVIWODSQN-AWEZNQCLSA-N 315.377 -0.010 30 20 DBED COC(=O)CNC(=O)CNC(=O)c1ncc(C#N)cc1Cl 594350198 OXVOOITZZJGSPI-UHFFFAOYSA-N 310.697 -0.374 30 20 DBED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)[C@H]2CC(=O)N2)CC1 596782952 JZPLSZNEBAOSMJ-SNVBAGLBSA-N 315.333 -0.039 30 20 DBED C=C[C@H](CO)NC(=O)NCC1CCN(S(=O)(=O)CC)CC1 664651812 ARQHJCNBGQTTDO-GFCCVEGCSA-N 319.427 -0.106 30 20 DBED C#CCCN1CCN(S(=O)(=O)N2CCC[C@H]2C(=O)O)CC1 737492808 SIXBVLGSNCMZOF-LBPRGKRZSA-N 315.395 -0.579 30 20 DBED C=CCNC(=O)[C@@H](C)OC(=O)c1ccc(S(N)(=O)=O)nc1 762874640 FSNKGMTWFFHCJS-MRVPVSSYSA-N 313.335 -0.424 30 20 DBED CCOC(=O)CON=C(C(=O)N1C[C@@H](O)C[C@H]1C)c1cc[nH]n1 772636799 VYNVHVHHAAOSOQ-ZJUUUORDSA-N 324.337 -0.325 30 20 DBED C#CCOCCNC(=O)N1C[C@H](CO)C[C@@H](OCCOC)C1 774951392 RONJWAVGXUAVDP-ZIAGYGMSSA-N 314.382 -0.308 30 20 DBED C=CCS(=O)(=O)CCNC(=O)NC[C@@]1(O)CCO[C@@H]1C 789173347 MZRITVLKOJDKPQ-PWSUYJOCSA-N 306.384 -0.574 30 20 DBED C#CCn1ccc(CN(CC)S(=O)(=O)c2cnnn2C)n1 795187457 CXXWJADJUDJYNR-UHFFFAOYSA-N 308.367 -0.144 30 20 DBED C#C[C@H](NC(=O)C(=O)NCc1cnn(C)c1C)[C@H]1CCCO1 805699574 MUPCCRJXJCTRQE-QWHCGFSZSA-N 304.350 -0.358 30 20 DBED C#C[C@H](NC(=O)NCCS(=O)(=O)N(C)C)[C@H]1CCCO1 811905947 NXLHUEGKIMGEQD-WDEREUQCSA-N 303.384 -0.642 30 20 DBED CNS(=O)(=O)c1ccc(C)c(C(=O)N[C@@H]2CNC[C@@H]2C#N)c1 834516721 LFZCAMWMIKXKBB-GXFFZTMASA-N 322.390 -0.256 30 20 DBED C[C@H]1CN(C(=O)NCCNc2ccc(C#N)cn2)CC(=O)N1 837568061 RHXKKQKPLWADQW-JTQLQIEISA-N 302.338 -0.105 30 20 DBED C#CC[C@@H]1NC(=O)N(CCS(=O)(=O)NCC2CCC2)C1=O 842242260 GJASXHBONUANBZ-NSHDSACASA-N 313.379 -0.350 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)C(F)(F)C(=O)N2CCOCC2)C1 843311229 SSOXWVGHNKRKGQ-GFCCVEGCSA-N 317.292 -0.642 30 20 DBED Nc1c(C(=O)N[C@H]2CCCN(O)C2=O)cnn1-c1ccccn1 848132083 NJHIBFRBPKOKFX-JTQLQIEISA-N 316.321 -0.041 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)Nc1cnn(CCOC)c1 850726118 WCMVLGGUTQSPDN-UHFFFAOYSA-N 322.365 -0.034 30 20 DBED C[C@H]1CCN(C(=O)C(=O)Nc2cnn(CC#N)c2)C[C@H]1CO 857002871 LYUSHONJZDUKEB-QWRGUYRKSA-N 305.338 -0.178 30 20 DBED CCN(C[C@H](C)C#N)C(=O)COC(=O)[C@@H]1CC[C@H](C(N)=O)O1 860412052 RDUTXHBDPANGDO-MXWKQRLJSA-N 311.338 -0.429 30 20 DBED CC#CCS(=O)(=O)NC(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1 860721881 NFVADUIOWXQPES-SNVBAGLBSA-N 324.362 -0.758 30 20 DBED CCOC(=O)CON=C(C(=O)N1N[C@H]2CC[C@H]1C2)c1cc[nH]n1 862912754 XEIJOXRSEFUEMM-UWVGGRQHSA-N 321.337 -0.039 30 20 DBED C[C@H](C(=O)OCC(=O)N[C@@](C)(C#N)C1CC1)N1C(=O)CCC1=O 919259945 IKMJFWIBDJUZLA-PSLIRLAXSA-N 321.333 -0.124 30 20 DBED N#Cc1cc(C(=O)N2CC[C@H]2CNC(=O)[C@@H]2CCC(=O)N2)c[nH]1 951382194 VWWZDUJEMKZGCC-RYUDHWBXSA-N 315.333 -0.504 30 20 DBED C=CCn1cc(C(=O)N2CCN(Cc3cnn(C)n3)CC2)nn1 951559795 NSJSOVCDXIXRHL-UHFFFAOYSA-N 316.369 -0.449 30 20 DBED COc1cc(C)cnc1C(=O)NC[C@H]1CN(CC#N)C[C@@H]1O 958143965 ADLQLDDEICRMKG-RYUDHWBXSA-N 304.350 -0.055 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](CNC(=O)c2cc(C(N)=O)co2)C1 958389371 FETOTUFRFIJSBM-VXGBXAGGSA-N 307.350 -0.023 30 20 DBED C#CCN1C[C@H]2C(NC(=O)[C@H]3CC(=O)N(CCOC)C3)[C@@H]2C1 960166150 LSADEXGYVLWFOP-YNEHKIRRSA-N 305.378 -0.839 30 20 DBED N#CCN1C[C@@H]2C(NC(=O)c3cnc4ccccn4c3=O)[C@H]2C1 960608351 FDSBULKORUCBBQ-RYUDHWBXSA-N 309.329 -0.122 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)c2ccccc2O)C1 961638217 RXILBWVTXAHXGZ-NDMJEZRESA-N 303.318 -0.147 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2COC3(C2)CN(C(=O)C(N)=O)C3)C1 965808238 PJFHHTDTSAXLJC-JTQLQIEISA-N 307.350 -0.686 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)CC(N)=O)C[C@@H]2C)cn1 966255964 BUAWVNLVZKKLAO-GXFFZTMASA-N 314.345 -0.485 30 20 DBED C#CCN[C@@H]1CCN(C(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 969524633 UCPKDJDTNRNYKN-SNVBAGLBSA-N 300.326 -0.869 30 20 DBED C#CCCN1CC([C@@H](C)NC(=O)c2nccnc2C(N)=O)C1 970852427 YOBBINWKRABHDQ-SNVBAGLBSA-N 301.350 -0.351 30 20 DBED C=C(C)CN(C)[C@H]1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)C1 971640520 FQVSFVQEKDAMMI-ZDUSSCGKSA-N 320.393 -0.344 30 20 DBED O=C(N[C@H]1[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]21)c1cncnc1O 976715733 RKWCYLCWWMWPDV-IMRBUKKESA-N 312.329 -0.218 30 20 DBED C=CCN1C[C@H]2C(CNC(=O)[C@@H]3Cc4cncn4C(=O)N3)[C@@H]2C1 978520073 HYVISFAPQDUNDU-IHRRRGAJSA-N 315.377 -0.155 30 20 DBED N#Cc1cc(C(=O)N[C@H]2C[C@H](CNC(=O)c3cnn[nH]3)C2)c[nH]1 980025913 BSELONWVCKCXKT-CZMCAQCFSA-N 313.321 -0.057 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@H]2CNC(=O)N2)C1 983077660 AXOCFBTVCYWBKO-GHMZBOCLSA-N 308.382 -0.155 30 20 DBED CCO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1CNC(=O)c1cnn[nH]1 983258306 IHLNZMYYLKPRGW-HOSYDEDBSA-N 320.353 -0.442 30 20 DBED C=CCn1cc(C(=O)N2CC(NC(=O)C[C@@H]3CCOC3)C2)nn1 990579261 WRNHDOSFYKRUMF-NSHDSACASA-N 319.365 -0.169 30 20 DBED CCCN1C[C@H](C(=O)NC2CN(C(=O)[C@@H](C)C#N)C2)CC1=O 991587684 WMTVVEWTHYMLDX-WDEREUQCSA-N 306.366 -0.268 30 20 DBED O=C(N[C@H]1CCN(C(=O)C#CC2CC2)C[C@H]1O)c1ccnnc1 991818155 GMAKMJQXELHETE-UONOGXRCSA-N 314.345 -0.418 30 20 DBED C=C(C)C(C)(C)C(=O)N1CC(NC(=O)C2CS(=O)(=O)C2)C1 991919472 MQAHXTZEFSCRPS-UHFFFAOYSA-N 314.407 -0.040 30 20 DBED C#CCCN1CCC[C@@H](NC(=O)c2nnc(O)nc2O)[C@H]1C 993554923 WCFSHFIELALEHO-NXEZZACHSA-N 305.338 -0.111 30 20 DBED Cn1nnnc1CN[C@@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1 998849497 OIDQQVGLFSAZHO-LLVKDONJSA-N 314.353 -0.196 30 20 DBED N#CCN[C@H]1CCCN(C(=O)[C@@H]2CN3CC4CC3(CO2)C4)C1 999766135 QTTPZSBXKSQDBC-WJEHIRDRSA-N 304.394 -0.046 30 20 DBED NC(=O)c1ccc(C(=O)NC2CN(C(=O)C#CC3CC3)C2)[nH]1 999949488 XOLAHEWXXAIHJZ-UHFFFAOYSA-N 300.318 -0.532 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)Cc2nonc2C)C1 1000013086 BWAGWACKXMWSBC-YPMHNXCESA-N 320.349 -0.161 30 20 DBED C=C[C@@](C)(CC)C(=O)N1CC(CNC(=O)[C@@H]2CNC(=O)N2)C1 1003948829 YAADLFLBLAGTNL-NHYWBVRUSA-N 308.382 -0.155 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 1004479616 INLWHNHRGZIULI-NDBYEHHHSA-N 321.377 -0.727 30 20 DBED N#Cc1cc(C(=O)NC[C@@H]2CCCCCN2C(=O)C(N)=O)c[nH]1 1005401456 FTFSWGRCIFOFRF-LBPRGKRZSA-N 317.349 -0.127 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2C(CNC(=O)c3cncnc3O)[C@@H]2C1 1009179746 XMBSDXKOTJCPJI-ZHAHWJHGSA-N 315.333 -0.224 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C(=O)[C@H]2CCCN(C(N)=O)C2)CC1 1011494372 DGOPLONWSHELBW-NEPJUHHUSA-N 321.381 -0.392 30 20 DBED C#CCCN1CCC2(CC1)C[C@@H]2NC(=O)Cn1ncn(C)c1=O 1016696951 BOQCMUJLSFUCLO-ZDUSSCGKSA-N 317.393 -0.424 30 20 DBED C#Cc1cncc(C(=O)NC2CC(N(C)C(=O)C(N)=O)C2)c1 1016952845 TXNFMGRJBPCIAB-UHFFFAOYSA-N 300.318 -0.733 30 20 DBED C[C@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(CCN1C(=O)CCC1=O)C2 1017411970 PHLPXTCZZPLGPB-AGIUHOORSA-N 318.377 -0.030 30 20 DBED C#CCN1[C@H]2CC[C@H]1CC(NC(=O)CN1C(=O)CCC1=O)C2 1021456161 UYCCJXRPKDZSLK-STQMWFEESA-N 303.362 -0.120 30 20 DBED C#CCN1[C@H]2CC[C@H]1CC(NC(=O)C[C@H]1CC(=O)NC1=O)C2 1021476650 LUCQUMDSMNZPBN-DRZSPHRISA-N 303.362 -0.216 30 20 DBED C=CCn1cc(C(=O)N[C@H]2C[C@@H](NCc3cnnn3C)C2)nn1 1022824558 GYUGXFRADWIPSY-PHIMTYICSA-N 316.369 -0.357 30 20 DBED Cc1cc(C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2O)n[nH]1 1023138716 NSGBKEYSVRQLET-CHWSQXEVSA-N 302.334 -0.567 30 20 DBED CO[C@@H](C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 1023428549 CSDRCTUKUVKCCW-XXILOJSOSA-N 306.322 -0.777 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CN(C(=O)C3CC3)C[C@H]2O)nn1 1023769360 OBYVAZXCTJJESU-ZYHUDNBSSA-N 305.338 -0.824 30 20 DBED C#CCCN1C[C@H]2[C@H](NC(=O)[C@]34C[C@H]5C[C@@H](C(=O)N3)[C@H]4C5)[C@H]2C1 1025838354 VPFHANDNCYRTAI-UVEIOOHHSA-N 313.401 -0.029 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)C[C@H]3CCNC3=O)C2)C1=O 1030434005 OYULWSPUNAPWCG-YPMHNXCESA-N 320.393 -0.900 30 20 DBED C[C@@]1(CC(=O)N2C[C@@H]3C[C@H]2CN3CC#N)CCS(=O)(=O)N1 1032753602 ZKNATOYVNUMZQM-GVXVVHGQSA-N 312.395 -0.733 30 20 DBED C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)CN1C(=O)NC(C)(C)C1=O 1032766257 WHIFJYPYZYMGFW-RYUDHWBXSA-N 318.377 -0.375 30 20 DBED Cc1c[nH]c(CC(N)=O)c1C(=O)NC[C@H]1CN(CC#N)CCO1 1035519140 JJXJCQOGQFAGFQ-NSHDSACASA-N 319.365 -0.695 30 20 DBED C=CCCn1cc(C(=O)NC[C@@H]2CN(CC#N)CCO2)nn1 1035536916 ZZEHEVDFENBAQX-GFCCVEGCSA-N 304.354 -0.192 30 20 DBED CN(C)CCn1ccc(C(=O)N[C@H]2[C@H]3C[C@H]2N(CC#N)C3)n1 1037407253 JAFWURHILHYHLO-YUTCNCBUSA-N 302.382 -0.229 30 20 DBED C#CCCN1C[C@H]2C[C@H]1[C@H]2NC(=O)c1cc(=O)n2[nH]cnc2n1 1037675127 ORVRHBNPQOQJDK-CDMKHQONSA-N 312.333 -0.757 30 20 DBED N#Cc1ccc(C(=O)NC[C@H]2CCN2Cc2nc(O)n[nH]2)[nH]1 1038173307 OBYJTEXJOBTFEY-SECBINFHSA-N 301.310 -0.286 30 20 DBED CC#CCN1[C@H]2CCC[C@H]1CN(C(=O)CN1CCOCC1=O)C2 1039645064 JRHMMOZOQMNDPN-GJZGRUSLSA-N 319.405 -0.066 30 20 DBED C=CCOCC(=O)N1CC[C@@](O)(CNC(=O)[C@@]23COC[C@@H]2C3)C1 1040065093 MSFMTXRQLIGCHJ-MAZHCROVSA-N 324.377 -0.695 30 20 DBED CN1CCC[C@@H]1C(=O)NC[C@]1(O)CCN(C(=O)C#CC2CC2)C1 1040494512 FBHMVJZOTAEIFE-RHSMWYFYSA-N 319.405 -0.426 30 20 DBED O=C(C[C@@H]1CCCO1)NCC1(O)CN(C(=O)C#CC2CC2)C1 1041653155 URPQGAQVTOMGKV-ZDUSSCGKSA-N 306.362 -0.342 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)[C@H]2C[C@@H]2OCC)C1 1041691332 SFGCKGONKZBLKU-STQMWFEESA-N 324.377 -0.859 30 20 DBED Cn1nccc1C(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1041898056 UYBQLASVUASWQC-UHFFFAOYSA-N 302.334 -0.863 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)c2ccnc(O)c2)C1 1042510956 WXIZAUZZWQMHCX-SECBINFHSA-N 304.306 -0.750 30 20 DBED CCCOCC(=O)N1CC(O)(CNC(=O)c2ccc(C#N)[nH]2)C1 1042608920 NALYHBZVVXRIJD-UHFFFAOYSA-N 320.349 -0.384 30 20 DBED CN1CC[C@H](N2CC(N(C)C(=O)c3c[nH]c(C#N)c3)C2)C1=O 1042638060 BUAHCRLMOPRYNG-ZDUSSCGKSA-N 301.350 -0.127 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(O)CN(C(=O)c2ncc[nH]2)C1 1042807634 XMRWZRGVALZPSY-CYBMUJFWSA-N 308.338 -0.960 30 20 DBED CC(C)(C)C#CC(=O)NCC1(O)CN(C(=O)c2cc[nH]n2)C1 1042965495 AVQPZKKFHCSYLU-UHFFFAOYSA-N 304.350 -0.238 30 20 DBED Cc1cc(C(=O)N2CC(O)(CNC(=O)[C@@H](C)C#N)C2)nc(C)n1 1045540177 DRBOSUGGQZRGCM-VIFPVBQESA-N 317.349 -0.444 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccnc3[nH]nnc23)C1 1047452525 NVWWIKVDQAMFPU-RYUDHWBXSA-N 314.349 -0.507 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)C2CCS(=O)(=O)CC2)C1 1047550031 LEFISZAKLDAIJH-STQMWFEESA-N 316.423 -0.499 30 20 DBED COCCC(=O)N(C)[C@H]1CN(C(=O)CSCC#N)C[C@@H]1O 1047983697 FTUFGLOLHSSXHF-QWRGUYRKSA-N 315.395 -0.690 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)[C@H]1CN(C(=O)C#CC(C)C)C[C@@H]1O 1048852329 KXPQJNCGNDJSKX-KKUMJFAQSA-N 320.389 -0.286 30 20 DBED C=CCN1C[C@H]2CN(C(=O)CCn3cc[nH]c(=O)c3=O)C[C@H]2C1 1049117055 LXBZNPAGXLABQG-BETUJISGSA-N 318.377 -0.497 30 20 DBED C=CCCCC(=O)N(C)[C@H]1CN(C(=O)CC(=O)NC)C[C@@H]1O 1049356306 VGEOYWMWZPPKEI-RYUDHWBXSA-N 311.382 -0.491 30 20 DBED C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCS(=O)(=O)N1 1049900392 SXDPEFIFSDECPZ-FRRDWIJNSA-N 311.407 -0.623 30 20 DBED CC(C)N1C[C@@H](C(=O)NC[C@H]2COCCN2CC#N)CC1=O 1050945285 KTEORCCHAUIFFC-STQMWFEESA-N 308.382 -0.416 30 20 DBED N#Cc1ccc(N2CC[C@@H](NC(=O)c3nc[nH]n3)[C@H](O)C2)nc1 1051711296 IDOORFGPZZDGCM-GHMZBOCLSA-N 313.321 -0.559 30 20 DBED N#CCN1CCN([C@H]2CCN(C(=O)c3c[nH]c(=O)cn3)C2)CC1 1052070384 GZFDITQTLIPOBP-LBPRGKRZSA-N 316.365 -0.874 30 20 DBED COc1nn(C)cc1C(=O)NC[C@@H]1CCC2(CN(CC#N)C2)O1 1053635701 KJKBUMKTADVREE-NSHDSACASA-N 319.365 -0.085 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)[C@@H]3CCNC(=O)C3)CO2)C1 1053774716 INWFJAXBYBSPBO-OLZOCXBDSA-N 305.378 -0.505 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@](CO)(NC(=O)c2ncn(C)n2)C1 1055922162 FYAZRORGQFETOO-YGRLFVJLSA-N 320.353 -0.942 30 20 DBED N#Cc1nccnc1N1CCN(C(=O)[C@H]2CCCC(=O)N2)CC1 1055931470 ZNZWZEXPSMPHGT-LLVKDONJSA-N 314.349 -0.334 30 20 DBED N#Cc1nccc(N2C[C@H]3[C@H](NC(=O)Cc4cnc[nH]4)[C@H]3C2)n1 1056429171 ZDFFXOCNVFUKTJ-HBYGRHMLSA-N 309.333 -0.135 30 20 DBED CN1CCOC[C@H]1C(=O)N1CC[C@@H](N=c2cc[nH]cc2C#N)C1 1056609122 LVNKDPZYHKACDN-HIFRSBDPSA-N 315.377 -0.281 30 20 DBED CNC(=O)CC(=O)N1CCC[C@H]2CN(C(=O)C#CC3CC3)C[C@H]21 1056650515 KOFXBLFSJACJAN-UONOGXRCSA-N 317.389 -0.015 30 20 DBED CN1C[C@@H](C(=O)N2CC[C@@H](Nc3cncc(C#N)n3)C2)CC1=O 1056805364 RNOYOWYYMATSFV-WDEREUQCSA-N 314.349 -0.161 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)[C@H](CC)OCC 1057129955 HSDVOAUXDRJUPW-ZDUSSCGKSA-N 316.398 -0.059 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)C(=O)NCC1CC1 1057522032 SZACDOCNVQKNLN-UHFFFAOYSA-N 323.393 -0.891 30 20 DBED C=CCO[C@H](C)C(=O)N(CCO)CCNC(=O)Cn1cccn1 1057921872 RLQJOJMSZXYMGM-CYBMUJFWSA-N 324.381 -0.589 30 20 DBED CN1C[C@H](C(=O)N2CC[C@H](Nc3ccc(C#N)cn3)C2)NC1=O 1059023553 YMBFHZUYKQHCKR-NWDGAFQWSA-N 314.349 -0.010 30 20 DBED C=CCOCC(=O)NC[C@H]1COCCN1C(=O)[C@@H](C)OCC 1061421763 UTWFLSVNZUPCCU-OLZOCXBDSA-N 314.382 -0.042 30 20 DBED C#CCOCCC(=O)N1CCOC[C@@H]1CNC(=O)COCC=C 1061424322 SFIAJIRAMQHMJX-AWEZNQCLSA-N 324.377 -0.428 30 20 DBED CN(C)C(=O)CC(=O)N1CCOC[C@H]1CNC(=O)C#CC1CC1 1061573253 OJBPKMMROSRJNC-CYBMUJFWSA-N 321.377 -0.778 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@H]1CCCCN1C(=O)CC(N)=O 1062082246 VKUPXFSQINLKAK-IAQYHMDHSA-N 311.382 -0.314 30 20 DBED C=C[C@@](C)(O)CC(=O)NC1(CNC(=O)c2ncn(C)n2)CCC1 1062927116 GFLHJTUWTDUZJI-CQSZACIVSA-N 321.381 -0.089 30 20 DBED CN(C(=O)[C@H]1CCNC1=O)[C@@H]1CCN(c2ccc(C#N)nn2)C1 1063004923 RYJMJCDRRKAUFW-NEPJUHHUSA-N 314.349 -0.479 30 20 DBED C#CCOCCC(=O)NCC1(NC(=O)c2cnon2)CCC1 1063039084 YSVPZCUZFXVOTF-UHFFFAOYSA-N 306.322 -0.122 30 20 DBED C[C@@H]1CN(C(=O)c2nc[nH]n2)CC[C@H]1N=c1cc[nH]c(C#N)n1 1063758312 PDPKJUGQCVGPQD-NXEZZACHSA-N 312.337 -0.149 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H]1CN(C(=O)c2ccon2)CCO1 1064911825 NISUBFFDFBLCBL-VXGBXAGGSA-N 321.333 -0.330 30 20 DBED Cc1ccnn1CC(=O)NC[C@H]1CN(C(=O)[C@H](C)C#N)CCO1 1065556938 LOEAOPRKHSDECQ-YPMHNXCESA-N 319.365 -0.305 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@H]1CCCN(C(=O)CC(N)=O)CC1 1066106684 FVJQESHLUVKLJV-NHYWBVRUSA-N 311.382 -0.314 30 20 DBED C#CCOCCC(=O)N1CCC(CC)(NC(=O)C(N)=O)CC1 1069374918 YGSXLHDVQQXOGF-UHFFFAOYSA-N 309.366 -0.601 30 20 DBED Cc1cc(=N[C@@H]2CN(C(=O)C(N)=O)CC2(C)C)c(C#N)c[nH]1 1069610463 SZCOLMCFWQWKKY-GFCCVEGCSA-N 301.350 -0.182 30 20 DBED C=CCOCC(=O)N[C@@H]1CCCN(C(=O)[C@H](C)NC(C)=O)C1 1070391492 WBDMVWWTUMQTGJ-WCQYABFASA-N 311.382 -0.179 30 20 DBED CC(C)(C)C#CC(=O)N[C@@H]1CCCN(C(=O)CNC(N)=O)C1 1070405375 LJJBRBNTQWDSIT-LLVKDONJSA-N 308.382 -0.189 30 20 DBED N#CCN1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CNC(=O)N2)C1 1070423131 QXNZEQBDXVBOIL-ONGXEEELSA-N 317.353 -0.980 30 20 DBED Cc1nc(C(=O)N2CCC(=O)NCCN(CC#N)CC2)co1 1070956414 OEZNPVDQDBHABC-UHFFFAOYSA-N 305.338 -0.229 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)c2ccc(O)nc2)CC1 1071019256 AXVSWHBUCRVBTC-UHFFFAOYSA-N 316.361 -0.316 30 20 DBED CC#CCN1CCN([C@H]2CCCN(C(=O)CC(N)=O)C2)C(=O)C1 1071260506 SPUUZLBCEWDYGE-ZDUSSCGKSA-N 320.393 -0.980 30 20 DBED C[C@H]1CC[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)CN1CC#N 1071989472 PUSZDCOGRVSASP-WDEREUQCSA-N 307.354 -0.627 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(C(=O)CC(=O)N(C)C)C[C@H]1C 1072128960 KORKNGTYKVHOPZ-CHWSQXEVSA-N 323.393 -0.532 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(C(=O)CCN(C)C)C[C@@H]1C 1072680020 QFFZGAVNEWPBLJ-UONOGXRCSA-N 309.410 -0.059 30 20 DBED C=CCCC(=O)N[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)C[C@@H]1C 1072772528 HMESPDFFFRNKBF-WDEREUQCSA-N 322.365 -0.533 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2CN(CCCO)CCCO2)nn1 1073807620 UVKXSLDRTAWCRS-CYBMUJFWSA-N 323.397 -0.333 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)c3cn(C)c(=O)n3C)C[C@H]21 1074415174 LWLBNMMMOOTNGO-OCCSQVGLSA-N 318.377 -0.728 30 20 DBED Cc1nn[nH]c1C(=O)N[C@@H](C)CCNC(=O)CSCC#N 1075679227 LEVKSVLYFLIKRO-QMMMGPOBSA-N 310.383 -0.006 30 20 DBED CC(C)C#CC(=O)N[C@@H](C)CCNC(=O)C1(NC(N)=O)CC1 1076204290 BUUGVVNYGVNJSH-NSHDSACASA-N 308.382 -0.142 30 20 DBED C#CCO[C@H](C)C(=O)NCC[C@H](C)NC(=O)COCCOC 1076510572 PAMRRUSPISFYKQ-QWHCGFSZSA-N 314.382 -0.301 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)Cn2cc(C3CC3)nn2)C1 1077124925 FFDUENDLFFNFRS-ZIAGYGMSSA-N 305.382 -0.107 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)c2ccnc3c2CC(=O)N3)C1 1077301983 WLWNJABHRVPESX-CHWSQXEVSA-N 316.361 -0.073 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H](C)CCNC(=O)c1cnn(C)n1 1077386260 GFMCRBLYLCXAKX-QWRGUYRKSA-N 307.354 -0.522 30 20 DBED C=CCCCC(=O)NCC[C@H](C)NC(=O)Cn1ncn(C)c1=O 1078098567 VGDFSKIPKMKTAO-LBPRGKRZSA-N 323.397 -0.051 30 20 DBED C#CCO[C@H](C)C(=O)N(C)[C@@H]1CCCN(C(=O)C(N)=O)CC1 1078962373 ORYPTWOTVGAJLM-VXGBXAGGSA-N 309.366 -0.651 30 20 DBED CCN(C(=O)C#CC1CC1)C1CN(C(=O)[C@@H]2CC[C@H]2C(N)=O)C1 1079743069 WYHZQKVCMZJMJQ-ZIAGYGMSSA-N 317.389 -0.029 30 20 DBED C=C[C@](C)(O)CC(=O)NC1(CO)CCN(C(=O)[C@@H](C)C#N)CC1 1080836265 ZEPLGTUEQGRRDS-WFASDCNBSA-N 323.393 -0.057 30 20 DBED C#CCCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2cnns2)C1 1081296943 DBLWYVSFBLSWOG-GHMZBOCLSA-N 322.390 -0.109 30 20 DBED C#CCOCCC(=O)NC[C@H]1CN(C(=O)CC2CC2)C[C@H]1O 1081485042 FBSVMRSQNZJDIA-UONOGXRCSA-N 308.378 -0.238 30 20 DBED C=C(C)CCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cnn[nH]2)C1 1081590892 YJIRBNWNMVLBFH-CMPLNLGQSA-N 307.354 -0.290 30 20 DBED CC#CCCCC(=O)N1C[C@H](CNC(=O)c2cnon2)[C@@H](O)C1 1081684156 BVIAJNCXIQBUNX-AAEUAGOBSA-N 320.349 -0.188 30 20 DBED CNC(=O)c1ccc(C(=O)N[C@@H]2CN(CC#N)C[C@H]2OC)cn1 1082331048 WLDFWYAIHKZZND-CHWSQXEVSA-N 317.349 -0.606 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)C1 1083483732 GMMLDNQTBIKNNQ-MJBXVCDLSA-N 320.393 -0.680 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2ccc3c(c2)N(C)C(=O)C3)C1 1083609843 PXWLDAKVZORQPX-HIFRSBDPSA-N 313.357 -0.386 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCS(=O)(=O)C2)C1 1083618087 POOADYOBTGSGLF-TUAOUCFPSA-N 302.396 -0.842 30 20 DBED COCCn1nc(C(=O)NC[C@H]2C[C@H](NCC#N)C2)ccc1=O 1086422467 HMWVHERAVSZIFM-HAQNSBGRSA-N 319.365 -0.489 30 20 DBED C=C(C)CCN1CC[C@@H](NC(=O)c2cn(C)c(=O)cn2)[C@@H](O)C1 1090443785 ZRBXTPVJHKLAMZ-OCCSQVGLSA-N 320.393 -0.089 30 20 DBED N#Cc1nccnc1N1C[C@H](O)[C@H](NC(=O)COCC2CC2)C1 1091080396 BPLPYAXBRKOIRK-OLZOCXBDSA-N 317.349 -0.559 30 20 DBED CC[C@@H]1[C@@H](NC(=O)CNC(N)=O)CCN1c1cncc(C#N)n1 1091755016 RXEXEYULTANESB-WDEREUQCSA-N 317.353 -0.510 30 20 DBED N#Cc1nccnc1N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CNC(N)=O 1092937316 AVDCNEUEZAQLAZ-KKZNHRDASA-N 315.337 -0.758 30 20 DBED CN(c1nccnc1C#N)[C@H]1CCN(C(=O)CNC(N)=O)C1 1095091317 IOALMERBIZIEDI-VIFPVBQESA-N 303.326 -0.946 30 20 DBED CC(=O)N[C@H](C)C(=O)NCCCN(C)c1nccnc1C#N 1095487412 SREDOBZJCJQVLI-SNVBAGLBSA-N 304.354 -0.185 30 20 DBED CSCC(=O)NCCN1CCN(c2ccnc(C#N)n2)CC1 1096264402 XEKQSMMLPULDSG-UHFFFAOYSA-N 320.422 -0.051 30 20 DBED COC(=O)NCC(=O)NC[C@@H](N=c1cc[nH]c(C#N)n1)C1CC1 1096582512 FEIOQZNLCWMPTO-SNVBAGLBSA-N 318.337 -0.567 30 20 DBED Cn1nnc(C(=O)NC[C@H](Nc2cnc(C#N)cn2)C2CC2)n1 1096788236 JYXNWUQMGCUPQI-JTQLQIEISA-N 313.325 -0.508 30 20 DBED C[C@@H](CNC(=O)CCn1ccnn1)N=c1cc[nH]c(C#N)n1 1097779060 FEQXSMUIJWSHJQ-JTQLQIEISA-N 300.326 -0.631 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@H](C)N=c1cc[nH]c(C(=O)OC)n1 1097793899 HBDMZQBYEGVMBP-ZUZCIYMTSA-N 322.365 -0.071 30 20 DBED C#CCCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 1097838704 CLDGQLRGMARJTP-PEBLQZBPSA-N 305.378 -0.236 30 20 DBED CCN1CCO[C@H](C(=O)NC[C@H](C)N=c2cc[nH]c(C#N)n2)C1 1097876125 ZNPKYVWGHYZPLC-RYUDHWBXSA-N 318.381 -0.593 30 20 DBED CCN1CCOC[C@@H]1C(=O)NC[C@H](C)Nc1cnc(C#N)cn1 1098129038 SUGRPYWEAYCZCS-WCQYABFASA-N 318.381 -0.014 30 20 DBED C[C@H](CNC(=O)C[C@@H]1NC(=O)NC1=O)Nc1ccc(C#N)cn1 1098378490 UVIXJBQCVNSEAF-SCZZXKLOSA-N 316.321 -0.532 30 20 DBED C#CCN[C@@H]1CN(C(=O)Cn2cnnc2O)C[C@H]1C(F)(F)F 1099241280 WESUXUVPFXJGGU-RKDXNWHRSA-N 317.271 -0.404 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)c2ccccn2)[C@@H](O)C1 1099618667 XNXMKWCZLHJJJV-OCCSQVGLSA-N 318.377 -0.451 30 20 DBED C#CCCCCC(=O)N[C@@H]1CCN(CC(=O)NCC#N)C[C@H]1O 1099786961 SCZMNDDFDJZRRV-ZIAGYGMSSA-N 320.393 -0.629 30 20 DBED CC(C)C#CC(=O)N[C@H]1CCN(Cc2nncn2C)C[C@H]1O 1099821212 REDSWQSQABTTHH-QWHCGFSZSA-N 305.382 -0.474 30 20 DBED COc1cc(C(=O)NCCN(C)c2nccnc2C#N)nn1C 1100413818 CWGPNSLYFWAUAA-UHFFFAOYSA-N 315.337 -0.043 30 20 DBED CS(=O)(=O)CC(=O)N[C@H]1CC2(CN(CC#N)C2)n2ccnc21 1101612424 WOQQJVUISNCHRT-JTQLQIEISA-N 323.378 -0.977 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C)OC)C1 1102726230 UWQUKDGEEFBCHX-MGPQQGTHSA-N 309.410 -0.155 30 20 DBED N#Cc1nccc(NC2(CNC(=O)CNC(N)=O)CCCC2)n1 1104369526 VTQOPCZEPUKHKV-UHFFFAOYSA-N 317.353 -0.143 30 20 DBED C[C@@H](CNc1ccc(C#N)nn1)N(C)C(=O)CN1CCOCC1 1104527757 OMBUVDLZCGNQHX-LBPRGKRZSA-N 318.381 -0.061 30 20 DBED C[C@@H]1CO[C@H](C(=O)N2CC(n3cc(CNCC#N)nn3)C2)C1 1105285425 NFZFHGOCQXYVDW-GWCFXTLKSA-N 304.354 -0.300 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)[C@H]2COCCO2)cn1 1105780784 VLIXQJZVERACSG-QWHCGFSZSA-N 306.322 -0.742 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@H](O)CNc1cnc(C#N)cn1 1105805921 MDIAQGHXZUWLFU-SMDDNHRTSA-N 305.338 -0.436 30 20 DBED Cc1cc(C(=O)NC[C@@H](O)CNc2cncc(C#N)n2)cnn1 1105812739 GGKXVAVLXCJTAM-LBPRGKRZSA-N 313.321 -0.351 30 20 DBED Cc1cc(CC(=O)NC[C@H](O)CNc2ccc(C#N)nn2)n[nH]1 1105816448 DCDJDJXHGYHCAY-GFCCVEGCSA-N 315.337 -0.489 30 20 DBED CCn1ncc(C(=O)NC[C@H](O)CNc2ccc(C#N)nn2)n1 1105822965 XLAYJCCMGBCXNL-SNVBAGLBSA-N 316.325 -0.838 30 20 DBED COCC1(C(=O)NC[C@@H](O)CNc2cncc(C#N)n2)CC1 1106023425 VVBYXRMNUVTQIB-NSHDSACASA-N 305.338 -0.336 30 20 DBED Cc1cnn(C)c1C(=O)NC[C@@H](O)CNc1cncc(C#N)n1 1106058283 PLZHKJNCLNTTLT-NSHDSACASA-N 315.337 -0.407 30 20 DBED C[C@@H]1CN(C(=O)CC(C)(C)O)C[C@H]1CNCC(=O)NCC#N 1106071173 WSUCZOUTARVXLA-VXGBXAGGSA-N 310.398 -0.529 30 20 DBED CN1C[C@H](C(=O)NC[C@@H](O)CNc2ccc(C#N)nc2)CC1=O 1106144136 OMHCQYFCNCEUKO-MFKMUULPSA-N 317.349 -0.679 30 20 DBED CCN(CCNc1cncc(C#N)n1)C(=O)[C@@H]1CCC(=O)N1 1106808185 BSHHVUWKYHMLEJ-NSHDSACASA-N 302.338 -0.113 30 20 DBED CNC(=O)CCCC(=O)NC/C=C\CN=c1cc[nH]c(C#N)n1 1107130894 AHRIMDZWFDQEFW-IHWYPQMZSA-N 316.365 -0.229 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)C[C@H]1CCNC1=O 1107978756 MZZTVSSFPYLTOD-NXEZZACHSA-N 302.338 -0.787 30 20 DBED C[C@]1(CNC(=O)c2cnc3[nH]nnc3c2)CN(CC#N)CCO1 1107997132 RIQWFTKTGROPOY-AWEZNQCLSA-N 315.337 -0.303 30 20 DBED C#CCCN1CCO[C@](C)(CNC(=O)[C@H]2CCC(=O)NC2)C1 1108044340 QVFGKEZMJUWSIM-XJKSGUPXSA-N 307.394 -0.257 30 20 DBED C=CCN1CCO[C@](C)(CNC(=O)C2CC(=O)NC(=O)C2)C1 1108278573 QCYZJVHNXPXOBR-OAHLLOKOSA-N 309.366 -0.568 30 20 DBED N#CCN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)NCC(F)F)C2 1108716506 TZTRIKYWYCOPMN-GUBZILKMSA-N 300.309 -0.140 30 20 DBED C[C@@H](CNc1cncc(C#N)n1)NC(=O)c1nnc(O)nc1O 1108782140 NZPPRWWHSQHEIQ-LURJTMIESA-N 316.281 -0.825 30 20 DBED CN(CCCNc1ccc(C#N)nc1)C(=O)Cn1ncnn1 1109528279 KQHFISNISNACGQ-UHFFFAOYSA-N 300.326 -0.100 30 20 DBED CN(CCCNc1cnc(C#N)cn1)C(=O)Cn1ncnn1 1109528362 NUYDGFDWBMIKKP-UHFFFAOYSA-N 301.314 -0.705 30 20 DBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H](C)CC(N)=O 1109597844 YMZCAFVBFCHFIS-RNJOBUHISA-N 322.409 -0.478 30 20 DBED C[C@H](CC(N)=O)C(=O)N[C@@H](CN=c1cc[nH]c(C#N)n1)C1CC1 1109946564 WBNYHCGQLUIXHC-KOLCDFICSA-N 316.365 -0.412 30 20 DBED COC(=O)c1nc(=NC2(CNC(=O)[C@@H](C)C#N)CC2)cc[nH]1 1110087653 GVJGJABZBOEJBL-VIFPVBQESA-N 303.322 -0.095 30 20 DBED C#CCN(C(=O)C(N)=O)C1CCN(c2ccncc2C#N)CC1 1110628447 CDJMSGYZTYHCJJ-UHFFFAOYSA-N 311.345 -0.131 30 20 DBED COCC(=O)NC[C@@]1(O)CCN(c2ccc(C#N)c(C)n2)C1 1111033641 UPUKTLLESUXLHL-HNNXBMFYSA-N 304.350 -0.035 30 20 DBED COC(=O)NCC(=O)N(CCO)CCNc1ccc(C#N)nc1 1111425567 NZXQXYFXQPRFAS-UHFFFAOYSA-N 321.337 -0.458 30 20 DBED N#Cc1cnc(NCCN(CCO)C(=O)c2cnsn2)cn1 1111425793 XAVIDDPEEGRNEN-UHFFFAOYSA-N 319.350 -0.254 30 20 DBED CC(=O)NCC(=O)N1CCO[C@@H](CNc2ccc(C#N)nn2)C1 1111929342 DILNNNSROZFDPK-LBPRGKRZSA-N 318.337 -0.876 30 20 DBED C[C@H]1CN(C(=O)CCNC(N)=O)C[C@@H]1Nc1ccc(C#N)nn1 1112312487 HCVGRHAHIILJOG-ONGXEEELSA-N 317.353 -0.335 30 20 DBED COCCC(=O)NC[C@H]1CN(c2ccncc2C#N)C[C@@H]1O 1112690181 YAGYOHJISSQJAZ-JSGCOSHPSA-N 304.350 -0.097 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 1112966191 VBBXKWMRRXAYAG-OAHLLOKOSA-N 306.410 -0.780 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCN(CC(=O)N(C)CC)CC1 1112977110 NEMNHRNHACHNAO-HNNXBMFYSA-N 320.437 -0.294 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)Cc2cscn2)CC1 1113406004 OYQBKTGKRNWQHJ-UHFFFAOYSA-N 307.379 -0.530 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@H](C)N(C)c1nccn2nnnc12 1113582828 QDKDXAOUWKEMHK-QMTHXVAHSA-N 319.369 -0.213 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCC(=O)N(C)C2)CC1 1113686872 ZQPSFOWRDQMGHP-CYBMUJFWSA-N 322.409 -0.699 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@H]2CN(Cc3nonc3C)C[C@H]12 1114157391 DSWJONRNAIVMEX-QWRGUYRKSA-N 317.349 -0.936 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@H]1[C@@H]2CN(Cc3n[nH]c(C)n3)C[C@@H]21 1114193955 JREIVFHVEIMGKA-FDRIWYBQSA-N 305.382 -0.013 30 20 DBED C#CCC1(C(=O)N[C@H]2[C@@H]3CN(CC(N)=O)C[C@@H]32)CCOCC1 1114395074 OBPPKYNTWOLSRM-IMRBUKKESA-N 305.378 -0.662 30 20 DBED C#Cc1cncc(C(=O)NC2[C@H]3CN(C[C@@H](O)COC)C[C@H]23)c1 1114807742 DZTCSWKCAWWUMK-ILXRZTDVSA-N 315.373 -0.270 30 20 DBED C=CCS(=O)(=O)CCNC(=O)NCC(=O)N1CCCC1 1116540319 IZNBWWDXYHJNBH-UHFFFAOYSA-N 303.384 -0.491 30 20 DBED C=CCn1cc(CNC(=S)NCCS(C)(=O)=O)nn1 1118088991 QKJVSVZBLZRTQJ-UHFFFAOYSA-N 303.413 -0.527 30 20 DBED CCC[C@H]1CN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)CCO1 1118185261 XMTXOOBYTLQSEI-SWLSCSKDSA-N 309.366 -0.109 30 20 DBED C[C@H](CN(C)C(=O)c1nnn(C)n1)Nc1ccc(C#N)nn1 1120501131 CLXBWYXEONIIMX-MRVPVSSYSA-N 301.314 -0.556 30 20 DBED Cc1ccc(C(=O)NC[C@H](CO)N=c2cc[nH]c(C#N)n2)nn1 1121446020 GSMCCODWXFLZOK-SNVBAGLBSA-N 313.321 -0.929 30 20 DBED CN1CC[C@H](C(=O)NC[C@H](CO)Nc2ccc(C#N)nn2)C1 1121588532 BTYXHHMRALPOAR-CMPLNLGQSA-N 304.354 -0.811 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H](CO)Nc1cnc(C#N)cn1 1122034601 BSNPKRXQPMJSFV-PWSUYJOCSA-N 303.322 -0.724 30 20 DBED N#Cc1c[nH]ccc1=N[C@H](CO)CNC(=O)CCc1ccon1 1122235775 SYNOSEBNMFXHMZ-ZDUSSCGKSA-N 315.333 -0.115 30 20 DBED Cc1cnn(C)c1C(=O)NC[C@@H](CO)Nc1cncc(C#N)n1 1122342871 RXRWYWGOMOOWNY-NSHDSACASA-N 315.337 -0.407 30 20 DBED N#Cc1ccc(F)cc1CNCCNC(=O)Cn1cnnn1 1123305433 OYXPDSLXRWHWGJ-UHFFFAOYSA-N 303.301 -0.410 30 20 DBED C[C@@H](C#N)C(=O)NCCN[C@H]1CCN(c2cnn(C)c2)C1=O 1124903242 PJRYRJKXFFRACI-JQWIXIFHSA-N 304.354 -0.609 30 20 DBED CC(C)(C)[C@H](CNc1cncc(C#N)n1)NC(=O)CNC(N)=O 1125761973 CHHRFWCYXKBAEM-JTQLQIEISA-N 319.369 -0.041 30 20 DBED C#CCNC(=O)CC(=O)NCCNCC(=O)N1CCC(C)CC1 1125978682 WSPOAQJQROWUBT-UHFFFAOYSA-N 322.409 -0.910 30 20 DBED C=C[C@](C)(O)CC(=O)NCCN[C@H](C)C(=O)NC(=O)NCC 1126360581 OCWKGVNOWXRGFN-YGRLFVJLSA-N 314.386 -0.747 30 20 DBED C=CCNC(=O)CNCCNC(=O)CNC(=O)C1CCCC1 1127941043 MTULIQVOXPDDRK-UHFFFAOYSA-N 310.398 -0.699 30 20 DBED C=CCCNCc1nnc2n1CC[C@@H](NC(=O)C(N)=O)CC2 1128049232 USXFCCCOUPABDL-JTQLQIEISA-N 306.370 -0.750 30 20 DBED C=CCNCc1nnc2n1CC[C@H](NC(=O)c1nc[nH]n1)CC2 1128054392 PPMJDCPHBAPEAP-SNVBAGLBSA-N 316.369 -0.193 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1ccc2c(c1)NC(=O)C2 1128061040 CEOIQLDIYJLFSU-UHFFFAOYSA-N 315.333 -0.860 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1nn2c(c1C)OCCC2 1128885368 HPJYAIIGGVUDLH-UHFFFAOYSA-N 321.381 -0.404 30 20 DBED C#CCCN[C@@H]1CN(C(=O)CNC(=O)CC)C[C@@H]1n1ccnn1 1129683959 CZHAIIOIZSRJIS-OLZOCXBDSA-N 318.381 -0.831 30 20 DBED C#CCNC(=O)CNCCNC(=O)Cn1cc(C2CC2)cn1 1130563919 KIYOTPZVMPXCBB-UHFFFAOYSA-N 303.366 -0.784 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@@H](NCC#N)[C@H](c2cn(C)cn2)C1 1130593152 SCFRHDKOMHWHAJ-VNHYZAJKSA-N 315.377 -0.134 30 20 DBED C=CCCOCC(=O)N1C[C@@H]2C[C@@H]3CN(CCO)C[C@]2(C1)O3 1131294849 SMNBYBDCEVHUSB-SQWLQELKSA-N 310.394 -0.127 30 20 DBED C=CCOCCNCCNC(=O)C[C@@H]1CCCS1(=O)=O 1131873570 FFHPFMMXWOFVAH-LBPRGKRZSA-N 304.412 -0.138 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)Cc2nc[nH]n2)CC[C@H]1C 1132414454 QKIKFKLTXFWMOE-NEPJUHHUSA-N 318.381 -0.934 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)C2(CN(C)C)CC2)C1=O 1132995572 YVHQEJUPGLJROU-ZDUSSCGKSA-N 308.426 -0.179 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CCCc2nn[nH]c21 1132997714 KVNAAJFMMYLNFN-GHMZBOCLSA-N 318.381 -0.932 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)Cc1n[nH]c(C)n1 1134355337 FICIQHJMHUGSLB-GHMZBOCLSA-N 320.397 -0.722 30 20 DBED N#CCN1CCCO[C@@H](CNC(=O)C[C@@H]2CCCC(=O)N2)C1 1149959638 GLTCJTRPAGXRHI-STQMWFEESA-N 308.382 -0.224 30 20 DBED C#CCNC(=O)CNCCNC(=O)Cc1csc2nccn12 1151168416 RTBJQYYRNXEDNV-UHFFFAOYSA-N 319.390 -0.607 30 20 DBED C=CCOCC(=O)NCCCNC[C@@H](C)CS(C)(=O)=O 1155712177 GSZPFMMCCKQLFL-GFCCVEGCSA-N 306.428 -0.034 30 20 DBED C#CCNC(=O)CC(=O)NCCCNCCCc1nc(C)no1 1156847916 KQQKIYNUYYESQY-UHFFFAOYSA-N 321.381 -0.454 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)c1nn(C)cc1C 1157790826 MJIYKOKIICMEQF-GFCCVEGCSA-N 305.382 -0.424 30 20 DBED N#CCN1CC=C(CCNC(=O)c2nccnc2C(N)=O)CC1 1161839291 KNPXZFAIKZEQMG-UHFFFAOYSA-N 314.349 -0.149 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)[C@@]2(C)CNC(=O)C2)C1=O 1163080619 KYAKRMOYIYGHGB-MLGOLLRUSA-N 322.409 -0.605 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2conc2C)[C@H]1C 1179459838 OSLMAXQKSPQZCQ-AAEUAGOBSA-N 304.350 -0.075 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](N(C)Cc2nnc(C)o2)C1 1189760163 ICDMQLWKBZKFKO-GFCCVEGCSA-N 319.365 -0.450 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(CCn2nc(C)nc2C)C[C@H]1O 1191770207 AYAFAMJYNAFWLY-ZIAGYGMSSA-N 323.397 -0.741 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(Cc2cc(OC)ccn2)C[C@H]1O 1191807432 OTWOLBZAKMCVSA-HUUCEWRRSA-N 321.377 -0.046 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)C2=CCOCC2)C1 1192404300 IKBUVQGLROBKFU-IACUBPJLSA-N 323.393 -0.815 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2nc(C)oc2C)C[C@H]1O 1192890763 CEDMQTHWPVUJAQ-HUUCEWRRSA-N 321.377 -0.007 30 20 DBED CC#CCN(C)[C@@H]1CCN(C(=O)COCc2ncnn2C)C1 1193182058 XWPDSLMCBOGJHR-CYBMUJFWSA-N 305.382 -0.112 30 20 DBED C[C@@H](C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1O)C(C)(C)C 1194137558 VLLKEFPEJLCRNZ-QJPTWQEYSA-N 310.398 -0.530 30 20 DBED C[C@H]1C[C@H](C(=O)N2CCCN(CC(=O)NCC#N)CC2)CO1 1196340509 HTKLVQJLEZPXON-STQMWFEESA-N 308.382 -0.415 30 20 DBED C=CCC(C)(C)C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1O 1196469598 WZQXZSFQGFLQDH-VXGBXAGGSA-N 308.382 -0.610 30 20 DBED N#CCNC(=O)CNC1CCN(C(=O)C2=COCCO2)CC1 1199168027 AWBATWMDRCGYBU-UHFFFAOYSA-N 308.338 -0.905 30 20 DBED C#CCCNC[C@H]1CN(C(=O)Cc2n[nH]c(C)n2)CCCO1 1200452195 CWOYFZZOOKKBKV-ZDUSSCGKSA-N 305.382 -0.114 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)[C@]2(C)CNC(=O)C2)CCCO1 1201052760 WJPBRGDQNYJWLQ-CJNGLKHVSA-N 307.394 -0.257 30 20 DBED N#CCNC(=O)CNC1CCN(C(=O)c2cccnn2)CC1 1203026297 CSIQSVADLZZXFL-UHFFFAOYSA-N 302.338 -0.689 30 20 DBED C#CCNC(=O)CN1CCC2(CC1)CN(C(C)=O)[C@@H]1COC[C@@H]12 1205462704 SQWUMUSZRKWNMJ-LSDHHAIUSA-N 319.405 -0.305 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 1207688059 LKEMCEBFMCKXJQ-KGLIPLIRSA-N 308.426 -0.037 30 20 DBED C=CCNC(=O)[C@H](C)N[C@H]1CCCN(C(=O)C2(C(N)=O)CC2)C1 1209346128 QESJOISBTZBUCT-RYUDHWBXSA-N 322.409 -0.477 30 20 DBED C=CCN1C[C@@H](NC(=O)C(=O)Nc2cc(C)on2)[C@H](OC)C1 1213857696 SPBPKCLGGSXGFS-GHMZBOCLSA-N 308.338 -0.077 30 20 DBED C=CCOCC(=O)N1C[C@@H](N[C@@H]2CCC(=O)NC2=O)[C@H](C)C1 1214331609 IDUDMZGSFQBRFI-IJLUTSLNSA-N 309.366 -0.569 30 20 DBED C=CCCN[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)N2)C[C@H]1C 1216766567 FWWDFVHRSAPIPM-IJLUTSLNSA-N 301.412 -0.309 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CN(Cc2cccc(C#N)c2)C[C@@H]1O 1219105294 WHCURKPXTXJFDD-CABCVRRESA-N 316.361 -0.644 30 20 DBED COc1nccc(CN2C[C@H](O)[C@H](NC(=O)C#CC3CC3)C2)n1 1219591726 RRECLVKXOADUNN-KGLIPLIRSA-N 316.361 -0.440 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@]23CCCC[C@H]2C3)C1 1220310482 DXORUBWWIXNXDP-QDEZUTFSSA-N 319.405 -0.523 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCO[C@H]2C=C)C1 1220381854 XDUGJOOLGGFDRW-MQYQWHSLSA-N 323.393 -0.959 30 20 DBED C=CCC(C)(C)C(=O)N[C@@H]1CN([C@H]2CCC(=O)NC2=O)C[C@@H]1O 1220434290 CGBSVOPSBLVHOI-WOPDTQHZSA-N 323.393 -0.445 30 20 DBED C=CCCCN1C[C@H](O)[C@H](NC(=O)C(=O)NCC(F)(F)F)C1 1220635272 QUARTKHOBGIYFF-ZJUUUORDSA-N 323.315 -0.208 30 20 DBED CN(C)[C@@H](C(=O)N[C@@H]1CN(CC#N)C[C@@H]1O)c1cccnc1 1221101923 BLXWCVSPCAUYPY-HZSPNIEDSA-N 303.366 -0.631 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CN(CCOCCOC)C[C@@H]1O 1221146199 YOBBMLPEAYKQOS-MJBXVCDLSA-N 316.398 -0.598 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)CC3(O)CCC3)[C@@H]2C1 1221526570 QVUYZLIWKQLZHV-ZIAGYGMSSA-N 319.405 -0.426 30 20 DBED Cn1nnnc1CN1CCC(NC(=O)CSCC#N)CC1 1226145422 VKEOTRWLLXSMMA-UHFFFAOYSA-N 309.399 -0.453 30 20 DBED N#CCN1CCS(=O)(=O)[C@@H](CCNC(=O)[C@H]2CC23CC3)C1 1230502948 SWJIBDVWIQVWLS-NWDGAFQWSA-N 311.407 -0.085 30 20 DBED C=CCN1CC[C@H](N2CC[C@@H]2CN(C)C(=O)CNC(C)=O)C1=O 1230642825 VZHVNGZBURZGFY-KGLIPLIRSA-N 322.409 -0.558 30 20 DBED C=CCNC(=O)[C@H](C)N(C)CCCNC(=O)c1ccc(O)nn1 1233613906 RBCVNTWHKXXPMW-NSHDSACASA-N 321.381 -0.075 30 20 DBED C=CCN1CCC(NC(=O)C(=O)NCCc2ccn(C)n2)CC1 1258212698 YFOUHCRYJPABJK-UHFFFAOYSA-N 319.409 -0.155 30 20 DBED CNCCCc1[nH]nc(NC(=O)[C@H]2CCN(C)C2=O)c1C#N 1320427437 XTDQIRYUGMIEKM-SECBINFHSA-N 304.354 -0.150 30 20 DBED CN1CCC[C@@H](CN(C)C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)C1 1326249699 PENXWTNXALUEBJ-CJNGLKHVSA-N 322.409 -0.336 30 20 DBED CCS(=O)(=O)CCNC(=O)C(=O)Nc1cc(C)c(C#N)cn1 1327618381 BSCVKOMYMMKLJY-UHFFFAOYSA-N 324.362 -0.249 30 20 DBED C[C@H]1CN(C)C(=O)CN1C(=O)C(=O)N1CCC[C@H](CC#N)C1 1328204015 NGJLCIVWLJUVMA-NWDGAFQWSA-N 306.366 -0.172 30 20 DBED CC[C@H](C)NC(=O)CCNC(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1328255202 MEBWJEOWKJJGFY-NHYWBVRUSA-N 324.381 -0.716 30 20 DBED COCC#CC(=O)N1CCN(CC(=O)N2CCCCC2)CC1 1333783560 JFDJNJFZCKDDJT-UHFFFAOYSA-N 307.394 -0.207 30 20 DBED CCn1nccc1CNC(=O)C(=O)N1CC[C@](O)(CC#N)C1 1334356408 IDCHTKJDRMAPRN-CQSZACIVSA-N 305.338 -0.604 30 20 DBED COC(OC)C(=O)N1CCN(c2cc(C#N)nc(C)n2)CC1 1336713042 QSCHMIOMPSSILL-UHFFFAOYSA-N 305.338 -0.076 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)NC2CCN(C3CC3)CC2)CCO1 1340309678 WESPWTCOPYUVQP-CYBMUJFWSA-N 306.366 -0.520 30 20 DBED C[C@@H](NC(=O)C(=O)N1CCC(C#N)CC1)[C@H]1CN(C)CCO1 1343131407 PEKOYQRUBWNTSQ-DGCLKSJQSA-N 308.382 -0.416 30 20 DBED C[C@]1(C#N)CCCN(C(=O)C(=O)N[C@H]2CCS(=O)(=O)C2)C1 1352825566 QQYSHYVTFHMXDO-GXFFZTMASA-N 313.379 -0.558 30 20 DBED CN(C)C(=O)[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](C#N)C2)C1 1353072470 IPFXBPHIVXKXMT-NWDGAFQWSA-N 306.366 -0.315 30 20 DBED CC[C@H](C(=O)N1CCN(CCNC(=O)[C@H](C)C#N)CC1)N(C)C 1385535767 HBBHTKLKAMMGAJ-ZIAGYGMSSA-N 323.441 -0.253 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)Cn2cncn2)CCCC1 1399148364 IOEMPVICKQHMAQ-LLVKDONJSA-N 304.354 -0.017 30 20 DBED COc1ncccc1C(=O)NC[C@@H](O)CNC(=O)[C@@H](C)C#N 1399854765 BCGRKSDIYAQWAK-UWVGGRQHSA-N 306.322 -0.543 30 20 DBED COCC(=O)N(C)CC(=O)N[C@H](C)C1CN(C(=O)[C@@H](C)C#N)C1 1404651367 HYWSUZZMEYKIBZ-WDEREUQCSA-N 324.381 -0.786 30 20 DBED CCN(CCC#N)C(=O)CN1CC(NC(=O)[C@@H]2CCN(C)C2)C1 1404835044 HNIMKABBFHEDAY-CYBMUJFWSA-N 321.425 -0.499 30 20 DBED C[C@H](CNC(=O)[C@H](C)C#N)NC(=O)c1ccc(C(N)=O)nc1 1408302489 AVDUODVTMNNGEW-RKDXNWHRSA-N 303.322 -0.425 30 20 DBED Cc1nn(C)c(NC(=O)CN2CCCCS2(=O)=O)c1C#N 1411476447 OOTQFWRFXKBRMK-UHFFFAOYSA-N 311.367 -0.036 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1CC[C@@H](NC(C)=O)C1 1413384317 YXWTXBJCAFGOED-GFCCVEGCSA-N 318.399 -0.696 30 20 DBED N#C[C@H]1CN(S(=O)(=O)N[C@@H](CCO)C(F)(F)F)CCO1 1414342093 BHAWYHHPSDDRRF-YUMQZZPRSA-N 317.289 -0.642 30 20 DBED CC(=O)NCC(=O)N1CCC[C@H]1CNC(=O)c1cc(C#N)c[nH]1 1415789323 SKDIJARAXYLJRM-LBPRGKRZSA-N 317.349 -0.257 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1C[C@@H](NCC(=O)NC[C@H]2CCCO2)C1 1418615687 NQNPGAQBSXZSJJ-YIYPIFLZSA-N 322.409 -0.074 30 20 DBED C[C@@H](C#N)C(=O)N1CC(CNC(=O)COC[C@H]2CCCO2)C1 1430391251 QMCBVNRBSOPEJA-WCQYABFASA-N 309.366 -0.084 30 20 DBED N#Cc1cc(C(=O)NC[C@H](O)CNC(=O)[C@H]2CCCOC2)c[nH]1 1431492406 KBHWHFQTSDDFNT-GXFFZTMASA-N 320.349 -0.480 30 20 DBED CCCN(CCNC(=O)CNC(C)=O)C(=O)c1cc(C#N)c[nH]1 1431780972 NMRWCDKTMYGNFC-UHFFFAOYSA-N 319.365 -0.009 30 20 DBED N#Cc1cn(CCNS(=O)(=O)CCC2CC2)c(=O)nc1O 1434589352 SQDWPJCFWWXJRN-UHFFFAOYSA-N 312.351 -0.460 30 20 DBED CC(C)c1n[nH]c(CN2CC(O)(CNC(=O)[C@@H](C)C#N)C2)n1 1440039270 QNSPFZOIMMEXJA-JTQLQIEISA-N 306.370 -0.249 30 20 DBED CCC(=O)N1CC[C@H](C(=O)N2CC(CNC(=O)[C@H](C)C#N)C2)C1 1450715447 SJJULJZIIANIPI-YPMHNXCESA-N 320.393 -0.021 30 20 DBED CCN(C(=O)CCNC(N)=O)[C@@H]1CCN(C(=O)[C@H](C)C#N)C1 1456652658 AVZBYQDSTQZDRP-GHMZBOCLSA-N 309.370 -0.346 30 20 DBED Cc1cnc(CNC[C@H](O)CNC(=O)c2cc(C#N)c[nH]2)cn1 1482718727 PLWHGEREZZQMEV-ZDUSSCGKSA-N 314.349 -0.135 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2ocnc2CC)C1 1490841147 FRJRNEABYMMITC-NSHDSACASA-N 304.350 -0.210 30 20 DBED CC(C)S(=O)(=O)CC(=O)N[C@H]1C[C@H](NC(=O)[C@H](C)C#N)C1 1525045788 VLMVEQXJVMWZGP-GMTAPVOTSA-N 315.395 -0.267 30 20 DBED C[C@H](CNC(=O)c1cn(C)nn1)CNC(=O)c1cc(C#N)c[nH]1 1532176560 NEJJRTZAOTVMDL-VIFPVBQESA-N 315.337 -0.189 30 20 DBED N#Cc1cn(CCC(=O)N2CCC[C@@H]2C(=O)O)c(=O)nc1O 1574248189 FNBHCQGGIRHSOB-SECBINFHSA-N 306.278 -0.714 30 20 DBED CCN(CCN)C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1577718771 MBAQLZQMWQPLOG-UHFFFAOYSA-N 310.379 -0.356 30 20 DBED CCOC(=O)N1C[C@@H](CO)[C@@H](NC(=O)C#CC2CCNCC2)C1 1577966970 CTELEUFIJPCIRZ-KBPBESRZSA-N 323.393 -0.445 30 20 DBED CO[C@H](CS(=O)(=O)N1CCNC[C@H]1C#N)C1CCOCC1 1578913325 VSEQJVMBGZJTTG-CHWSQXEVSA-N 317.411 -0.445 30 20 DBED N#Cc1ncc(NC2CCC(C(N)=O)CC2)nc1-c1nn[nH]n1 1581882508 BNQCQRHYFMHVLA-UHFFFAOYSA-N 313.325 -0.016 30 20 DBED C#C[C@@H](NC(=O)[C@@H]1CCCN(CC(=O)O)C1=O)C1CCOCC1 1588387539 KEDCNUNIWKCGQS-QWHCGFSZSA-N 322.361 -0.146 30 20 DBED COc1cc(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[nH]2)nn1C 1591517759 GNLBCMNPBTWXNC-UHFFFAOYSA-N 314.269 -0.544 30 20 DBED N#Cc1nc(NCCNc2cnccn2)cnc1-c1nn[nH]n1 1592707728 YFYXDEGIXWKOQP-UHFFFAOYSA-N 309.297 -0.158 30 20 DBED Cc1nn(C)c(N2CCN(C(=O)COCC(=O)O)CC2)c1C#N 1594483286 LKLULHBEBDYUNI-UHFFFAOYSA-N 321.337 -0.650 30 20 DBED N#CCCN(CCC#N)C(=O)CN1CCC[C@@H](O)[C@@H]1C(=O)O 1601067207 SNAFHJNKDBXXMD-DGCLKSJQSA-N 308.338 -0.448 30 20 DBED CN1CCN(CCCn2c(N)nc(C#N)c2-c2nn[nH]n2)CC1 1604866390 SGKDERVSPAMBCO-UHFFFAOYSA-N 316.373 -0.845 30 20 DBED COCC#CC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[nH]n1 1605038410 WXGBRGHGYJWLTR-UHFFFAOYSA-N 318.341 -0.787 30 20 DBED C#CCOc1ccccc1NC(=O)C(=O)NC[C@](C)(O)C(=O)O 1609623857 KPZDGPJKYYLYAC-HNNXBMFYSA-N 320.301 -0.411 30 20 DBED CN(CCCNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2)CC(=O)NCC#N 1751953477 UEDLYJLZWLNUQP-JHJVBQTASA-N 308.382 -0.368 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)NCCN(C)[C@@H](C)C(N)=O 1753074908 WCVWFRNXAGGLAA-JTQLQIEISA-N 313.402 -0.828 30 20 DBED CCN(CCNC(=O)[C@H]1CCCC(=O)N1C)CC(=O)NCC#N 1753094107 WXRMTQXJSJATPE-GFCCVEGCSA-N 323.397 -0.925 30 20 DBED C=CCCO[C@H](C)C(=O)NCC1CN([C@H]2CCC(=O)NC2=O)C1 1753397811 UQOOYAAVCBYSKC-YPMHNXCESA-N 323.393 -0.179 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1cncnc1 1753419471 AMIQEGXGIMKMPK-UBHSHLNASA-N 313.361 -0.487 30 20 DBED C#CCNC(=O)CNC[C@](C)(NC(=O)[C@@H]1COCCO1)C1CC1 1753513356 NLTABJHMQLGOQY-BBRMVZONSA-N 323.393 -0.974 30 20 DBED C=CCNC(=O)CNC[C@]1(NC(=O)C(N)=O)CCCC[C@@H]1C 1753536669 XFPOOOYOHZXEMS-XHDPSFHLSA-N 310.398 -0.571 30 20 DBED N#Cc1ccc(CN2CCO[C@H](CNC(=O)CC(N)=O)C2)cc1 1753656459 GQGHZVCOUPGWQM-CQSZACIVSA-N 316.361 -0.249 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)CCN(C)C(=O)CN1CC[C@@H](C)C1 1753863380 VRDORJSXUWPVFW-HUUCEWRRSA-N 322.453 -0.144 30 20 DBED C#CCNC(=O)[C@@H](C)NC/C=C\CNC(=O)C1=COCCO1 1754093351 VSWCWYLLSQOAFF-QMAVJUDZSA-N 307.350 -0.726 30 20 DBED COCC#CCNC/C=C\CNC(=O)CC1CS(=O)(=O)C1 1754141354 CVNDIOZPWZDFNS-IHWYPQMZSA-N 314.407 -0.667 30 20 DBED C#CCNC(=O)CNC[C@@H](C)NC(=O)CN(C)c1ccccc1 1754256246 ULAJYGCVSRCGCM-CQSZACIVSA-N 316.405 -0.034 30 20 DBED C#CCNCCCN(C)C(=O)C[C@]1(C)CCS(=O)(=O)N1 1754411459 OFHCGJKGTKUKHY-ZDUSSCGKSA-N 301.412 -0.470 30 20 DBED C=CCNC(=O)CN1CC(N(C)C(=O)CCc2nc(C)no2)C1 1754579440 PLPYRBWJGXUNPH-UHFFFAOYSA-N 321.381 -0.245 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(Cc2nc(N(C)C)no2)C1 1754767282 IMVKNIJYWASQNL-UHFFFAOYSA-N 321.381 -0.542 30 20 DBED C#CCNC(=O)CN[C@@H](C)[C@@H](C)NC(=O)c1ccnnc1C 1755242003 KDXRHQTWTFKHJJ-WDEREUQCSA-N 303.366 -0.369 30 20 DBED N#CCN1CC(CCO)(NC(=O)Cn2ccc(C(F)F)n2)C1 1755333117 XMEURTXPSNWHIV-UHFFFAOYSA-N 313.308 -0.103 30 20 DBED COCC#CCN1C[C@H]2[C@H](CNC(=O)CNC(=O)OC)[C@H]2C1 1755417740 JJDJPHBGOOARQE-XYYAHUGASA-N 309.366 -0.714 30 20 DBED C=CCCN[C@@H](CO)CNC(=O)c1cc(C)c(C(N)=O)cn1 1755639789 YISOSZMBXQPUAD-LLVKDONJSA-N 306.366 -0.255 30 20 DBED COCC#CCN[C@@H](CO)CNC(=O)c1csc2cncn12 1755640731 PPDMGSRXBSEMAS-LLVKDONJSA-N 322.390 -0.274 30 20 DBED C=CCNC(=O)[C@H](C)NC[C@@H](O)CN(C)C(=O)c1cnccn1 1755771228 IKQRDBHAEFYULN-NWDGAFQWSA-N 321.381 -0.810 30 20 DBED CN(C(=O)c1cccn1C)C1CC(NCC(=O)NCC#N)C1 1755853041 JHXXFRGTGNNIDP-UHFFFAOYSA-N 303.366 -0.143 30 20 DBED C#CCCCCC(=O)NC[C@H](CO)NC(=O)c1ncccn1 1756514288 WOLOASNPTXWRPG-GFCCVEGCSA-N 304.350 -0.123 30 20 DBED C=CCCC(=O)NC[C@@H](CO)NC(=O)C[C@H]1CCCC(=O)N1 1756520503 XUXSKURJDYCXNN-NEPJUHHUSA-N 311.382 -0.395 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H](CO)NC(=O)c2cocn2)nc1 1756538556 QDRWQJDGNHBTNE-NSHDSACASA-N 314.301 -0.428 30 20 DBED CN(C(=O)c1nnn(C)n1)C1CC(NC(=O)C#CC2CC2)C1 1756746390 FADLGGHZMJHHPI-UHFFFAOYSA-N 302.338 -0.657 30 20 DBED C#CCCCCC(=O)N1CC[C@@H]1CN(C)C(=O)Cn1cnnn1 1757274262 FBSFPAXBZZUVTP-CYBMUJFWSA-N 318.381 -0.074 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](NC(=O)/C(C)=C/C)[C@@H](O)C1 1757562367 GUNHEYPWHWNWAR-BYDLAGSTSA-N 321.377 -0.830 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(O)nn1)CCO2 1783047878 LJPDHAKIZZDMQL-HNNXBMFYSA-N 316.317 -0.741 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)CCn1ccnn1)CCO2 1783054459 WPBULBBEWWMOBA-HNNXBMFYSA-N 317.349 -0.869 30 20 DBED CS(=O)(=O)CC(=O)N1CC2(CCCN2C(=O)C#CC2CC2)C1 1841540807 YNDVGYVJPFOTST-UHFFFAOYSA-N 324.402 -0.352 30 20 DBED Cn1c(=O)c2c(ncn2CC(=O)OCCCCC#N)n(C)c1=O 25394297 VQUSRPRPHWYPER-UHFFFAOYSA-N 319.321 -0.329 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCC[C@H](CNS(C)(=O)=O)C1 48573993 MXMUINKCASHYNZ-VXGBXAGGSA-N 303.428 -0.062 30 20 DBED CC#CCCCC(=O)N[C@H](C)C(=O)N1CCS(=O)(=O)CC1 186173399 PLJAKGYYSOYYKB-GFCCVEGCSA-N 314.407 -0.058 30 20 DBED CN1CCN(CCNS(=O)(=O)c2ccc(C#N)nc2)CC1 189104656 WFYDITPXOPUDED-UHFFFAOYSA-N 309.395 -0.521 30 20 DBED N#Cc1ccnc(N2CCN(C(=O)[C@H]3CNCCO3)CC2)c1 269109426 MWASEYKVAZEUEA-CYBMUJFWSA-N 301.350 -0.410 30 20 DBED C=CCNC(=O)CNC(=O)N[C@H](CC)C(=O)N1CCOCC1 272032329 ZSZPKZAHZHXANM-LLVKDONJSA-N 312.370 -0.775 30 20 DBED CN1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 298208689 QXHBGQBFIZISQP-UHFFFAOYSA-N 322.390 -0.389 30 20 DBED N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@H]2C[C@@H](O)C2)cc1 298315463 JNPMLLWDELQYPB-PHIMTYICSA-N 309.347 -0.524 30 20 DBED COCCN1CN(/C(O)=N/CC2([S@@](C)=O)CCC2)CC1=O 328739816 MVCVHILTOPEJDI-OAQYLSRUSA-N 317.411 -0.050 30 20 DBED CN1C(=O)C[C@@H](C(=O)N2CC(O)(CC#N)C2)[C@@H]1c1ccnn1C 329064548 ONHUBRFZLTVPFH-ZWNOBZJWSA-N 317.349 -0.574 30 20 DBED CN1C[C@H](/N=C(/O)N2CCN(Cc3cnn(C)c3)CC2)CC1=O 330150582 VUXSTPHIJRQGIO-CYBMUJFWSA-N 320.397 -0.318 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)NCCN1CCN(C)CC1 330409550 YEBDIFUJDFQXCG-ZDUSSCGKSA-N 317.459 -0.450 30 20 DBED CN1C[C@H](C(=O)N(CCC#N)CCN2CCOCC2)CC1=O 330507004 AOBNPWVXLMXFRJ-CYBMUJFWSA-N 308.382 -0.461 30 20 DBED C[C@H](CNS(=O)(=O)N1CCO[C@H](C#N)C1)Cn1cccn1 336907175 FNGUXJOGSYANRK-VXGBXAGGSA-N 313.383 -0.422 30 20 DBED CCOC(=O)CN(CCOC)S(=O)(=O)N(C)C[C@@H](C)C#N 336927379 WNQYFAQDABDEJV-NSHDSACASA-N 321.399 -0.166 30 20 DBED COC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)N(C)[C@H](C)CC#N 337977405 HIGUHXMLZAGFCE-UTLUCORTSA-N 305.356 -0.927 30 20 DBED N#Cc1ccc(NCC(=O)NCCNC(=O)c2cccnc2)nc1 345211852 FGKPBBKNXLYCDT-UHFFFAOYSA-N 324.344 0.306 30 20 DBED C=CCOC[C@@H](NC(=O)CCN1C(=O)CCC1=O)C(=O)OC 360724491 CCJXPEBGYJWMQZ-SNVBAGLBSA-N 312.322 -0.614 30 20 DBED C=CCN(CCOC)C(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 361079649 KWWXXROYQFRZQV-RFHZTLPTSA-N 322.361 -0.190 30 20 DBED C=CCN(CCOC)C(=O)Nc1ncn(CC(=O)N(C)C)n1 361784135 ZRXAJSRRTIRTRC-UHFFFAOYSA-N 310.358 0.033 30 20 DBED COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)CC#N)C1 365173499 VFIUQONSXTZEDL-LLVKDONJSA-N 303.384 -0.201 30 20 DBED C#CCOCCC(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 366812881 BGWVOZJXMIWTKS-UHFFFAOYSA-N 320.349 -0.280 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N[C@@H]1CCCS(=O)(=O)C1 407978087 WSAOBWLVKKRBMF-NXEZZACHSA-N 309.413 -0.368 30 20 DBED CNS(=O)(=O)c1ccc(C(=O)N2CCOC[C@@H]2C#N)cn1 408302267 YGFHEDDDYARNOY-JTQLQIEISA-N 310.335 -0.646 30 20 DBED C[C@H](C#N)S(=O)(=O)N1CCN(c2ccnc(N(C)C)n2)CC1 416464061 WOUJVFTWLHURFY-LLVKDONJSA-N 324.410 -0.094 30 20 DBED CCOC(=O)c1c[nH]nc1S(=O)(=O)Nc1c(C#N)cnn1C 438233154 FNIDZSLBTCXPNT-UHFFFAOYSA-N 324.322 -0.008 30 20 DBED Cc1cc(NC(=O)C(=O)NCCNC(C)(C)C)nn1CCC#N 439541664 MIOXWLCASAQLDS-UHFFFAOYSA-N 320.397 0.548 30 20 DBED C[C@H]1[C@H](C)N(C(=O)C(=O)Nc2ccn(CCC#N)n2)CCN1C 442311767 XDUWRUWWNWIJIL-RYUDHWBXSA-N 318.381 0.286 30 20 DBED COC(=O)[C@H]1CNC(=O)CN1Cc1cnc2ccc(C#N)cn12 448276721 TXRJBYDUFQWLJK-GFCCVEGCSA-N 313.317 -0.321 30 20 DBED N#Cc1cccc(S(=O)(=O)NCC(=O)NCc2ncc[nH]2)c1 564450852 RSPBFCIAAVRLER-UHFFFAOYSA-N 319.346 -0.124 30 20 DBED COc1ccccc1COC[C@H](O)CNCC(=O)NCC#N 572596147 KSUAHYUABNQBGP-CYBMUJFWSA-N 307.350 -0.198 30 20 DBED N#Cc1ccc(S(=O)(=O)N2C[C@@H](O)[C@@H](CO)C2)c(F)c1 573339718 VKRRAGBEUZYIBK-MWLCHTKSSA-N 300.311 -0.329 30 20 DBED N#Cc1ccc(OC[C@H](O)CNCCN2CCNC(=O)C2)cc1 574033823 MJCJDRATVBEVLD-CQSZACIVSA-N 318.377 -0.681 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(CC[C@H]2CCNC2)c1=O 582541781 PYNYDQXZRLVQGM-GFCCVEGCSA-N 306.366 -0.457 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)NCC[C@]1(O)CCCOC1 593661690 URMSABZQPHCFDC-VXGBXAGGSA-N 305.400 -0.014 30 20 DBED Cn1nnc2c1CC[C@@H](NS(=O)(=O)c1cccnc1C#N)C2 594480036 YYDLDZLTTWDVDM-SECBINFHSA-N 318.362 -0.082 30 20 DBED C[C@H](C(=O)N(C)CCC#N)N1CCN(Cc2nc[nH]n2)CC1 602868885 YJXIGIISTVKBDV-GFCCVEGCSA-N 305.386 -0.317 30 20 DBED CCN(C[C@@H](C)C#N)C(=O)CN(C)CC(=O)N1CCN(C)CC1 602989458 PPZZBRHTTDTYDA-AWEZNQCLSA-N 323.441 -0.300 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(C[C@H]2CCO[C@@H]2C)c1=O 631005755 MXMAFIKJXYNHQK-VXGBXAGGSA-N 307.350 -0.031 30 20 DBED C=CCN(Cc1nc2c(=O)n(C)c(=O)n(C)c2[nH]1)[C@H](C)COC 661240707 QMGSXEOBGSNPSG-SNVBAGLBSA-N 321.381 -0.017 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)CNC(=O)c1ccc(C#N)cc1 727007778 HBSZRAFTHSXRRC-NSHDSACASA-N 313.313 -0.031 30 20 DBED N#Cc1ccc(NCCNC(=O)N2CCO[C@@H](C(N)=O)C2)nc1 747979438 GRUZVBUUHRKUTM-LLVKDONJSA-N 318.337 -0.739 30 20 DBED C#CCOCCNC(=O)C(=O)Nc1cnn(-c2ccccc2)n1 755345337 WAUIWBZMSCJIRG-UHFFFAOYSA-N 313.317 -0.028 30 20 DBED C=C(C)[C@@H](C)OC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 755992201 NLMAPUPYGVRJNI-SECBINFHSA-N 306.322 -0.059 30 20 DBED CCN(CCC#N)C(=O)COC(=O)[C@H](C)NS(C)(=O)=O 758491449 ZNKHZIVYVZFQHD-VIFPVBQESA-N 305.356 -0.771 30 20 DBED C#CCOCCOC(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1 762713955 VNELLQXVMJMZGO-JTQLQIEISA-N 315.351 -0.720 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1)[C@@H]1CCCO1 804732429 NVACKGMPDFYTKZ-KKUMJFAQSA-N 319.405 -0.116 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCNC(=O)C[C@H]1C)[C@H]1CCCO1 809309743 RBNFKZJJMFTJNT-GRYCIOLGSA-N 307.350 -0.980 30 20 DBED C#C[C@H](NC(=O)C(=O)N1C[C@H](C)O[C@@H](COC)C1)[C@H]1CCCO1 809310740 RKRLLTBEZVYGML-RFQIPJPRSA-N 324.377 -0.454 30 20 DBED C[C@H]1CCCC[C@@H]1NC(=S)NN=C1C(=O)NC(=O)NC1=O 814215388 OPOKBKOGBBRPFC-BQBZGAKWSA-N 311.367 -0.249 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)N[C@H]2CCCN(O)C2=O)cc1 820483094 YVVTYRXGEAXPJI-LBPRGKRZSA-N 316.317 -0.216 30 20 DBED CN(CCC#N)C(=O)CNC(=O)c1ccc(-c2nn[nH]n2)cc1 821597575 AAVLQFFITRFKTM-UHFFFAOYSA-N 313.321 -0.031 30 20 DBED C#CCN(CC(=O)NN1CC(=O)N(C)C1=O)C(=O)OC(C)(C)C 831547966 IBLJTEJTHBQQED-UHFFFAOYSA-N 324.337 -0.218 30 20 DBED N#C[C@H]1CNC[C@H]1NC(=O)c1cnc2nc(O)nc(O)c2c1 834489238 LAYKFOJJEWVQQT-IONNQARKSA-N 300.278 -0.723 30 20 DBED CS(=O)(=O)C1(C(=O)N[C@@H]2CCCN(O)C2=O)CCCC1 848138002 HXBPONNTQKVVMX-SECBINFHSA-N 304.368 -0.160 30 20 DBED C/N=C(/NCCN1CCOCC1)NCCN1CCOC[C@H]1C 849003572 SOCOLOAWLZIFJZ-CQSZACIVSA-N 313.446 -0.796 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N(C)C[C@@H](O)C(F)(F)F 850712528 MEEAPELZBOOLEX-SNVBAGLBSA-N 324.299 -0.134 30 20 DBED C#CC[C@@H](CO)NC(=O)[C@H](CO)NC(=O)c1ccc(F)cc1 854550768 YXTKINUIUPAPGK-STQMWFEESA-N 308.309 -0.583 30 20 DBED Cn1cc(N2C[C@@H](C(=O)N[C@@H]3CCCN(O)C3=O)CC2=O)cn1 861827299 HSMLZIYPFLWKCE-GXSJLCMTSA-N 321.337 -0.731 30 20 DBED CN1CCN(CC2CCN(C(=O)NCC#CCO)CC2)CC1 923771293 LSIWHHNHAHGULB-UHFFFAOYSA-N 308.426 -0.349 30 20 DBED CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCC[C@@H](C#N)C1 928224838 ROZLJVFQIKELBR-STQMWFEESA-N 306.366 -0.124 30 20 DBED C=CCSCCNC(=O)C(=O)NCCO[C@H]1CCOC1 929752198 HDKJWAVRNMUCQA-NSHDSACASA-N 302.396 -0.057 30 20 DBED C#Cc1ccc(C(=O)N(C)[C@H]2CCN(C(=O)C(N)=O)C2)cn1 939369923 UFUQWYATKUJKOC-LBPRGKRZSA-N 300.318 -0.779 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C2CN(Cc3cn(C)nn3)C2)CC1 941347806 CWUWDGGPPFOZTM-GFCCVEGCSA-N 317.397 -0.697 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@@H](NC(=O)[C@H]2CN(C)C(=O)N2)C1 942012542 OKVINGQKMVRYFP-GHMZBOCLSA-N 308.382 -0.061 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CN2CC(=O)NC2=O)[C@@H](C)C1 943676826 WDJXWTNKRGYSNX-NWDGAFQWSA-N 306.366 -0.612 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2CCN(CC(N)=O)C[C@H]2C)cn1 944216291 YFJMLUJBCWRHJR-RISCZKNCSA-N 300.362 -0.012 30 20 DBED C[C@H](C#N)C(=O)N1CCC2(CC1)CN(C(=O)Cn1nccn1)C2 945030300 IFZQSNJPVVUNAG-GFCCVEGCSA-N 316.365 -0.111 30 20 DBED C[C@H](C#N)C(=O)N1[C@H]2CCC[C@H]1CN(C(=O)[C@H]1CNC(=O)N1)C2 952780783 FFASVKDOZTZUMX-NOOOWODRSA-N 319.365 -0.581 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@H]2CCC(=O)N2)C1 955363816 JIHJSWOWPDGVKX-UPJWGTAASA-N 321.377 -0.475 30 20 DBED C=C(C)CN1CC(N(CC)C(=O)[C@H]2CCS(=O)(=O)N2)C1 957401970 GVJASVADQARLBQ-GFCCVEGCSA-N 301.412 -0.213 30 20 DBED C=CCN1C[C@@H](O)[C@@H](CNC(=O)c2ccc(C(N)=O)cc2)C1 958661181 FEZAJWIFDDJCGZ-UONOGXRCSA-N 303.362 -0.006 30 20 DBED CO[C@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C#N)c[nH]2)C1 958798307 DHWNNMGMVPHAKP-ICCXJUOJSA-N 320.349 -0.435 30 20 DBED C=C1CCC(C(=O)N(C)[C@H]2CN(C(=O)CC(N)=O)C[C@@H]2O)CC1 958949305 GOVOPODBPMACJX-STQMWFEESA-N 323.393 -0.362 30 20 DBED C[C@@H](NC(=O)c1ccc(C#N)[nH]1)[C@H]1CCN(C(=O)CC(N)=O)C1 959090383 AVQSRZPGGZWBEZ-ZJUUUORDSA-N 317.349 -0.271 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1ccnn1C 960119459 QBPOHHYQWALHJV-KGYLQXTDSA-N 317.349 -0.368 30 20 DBED C#CCCN1C[C@H]2[C@H](NC(=O)[C@@H]3COCCN3C(C)=O)[C@H]2C1 962613527 FXPBGUXMKQJTQY-LJISPDSOSA-N 305.378 -0.697 30 20 DBED C=C(Cl)CN1C[C@H]2[C@H](NC(=O)c3cn(CC(N)=O)nn3)[C@H]2C1 962783594 WMIRFXANWQKGBV-GDGBQDQQSA-N 324.772 -0.824 30 20 DBED CN(C(=O)c1c[nH]c(C#N)c1)[C@H]1CCCN(C(=O)C(N)=O)CC1 967518737 CYAARMPAWHWPIZ-LBPRGKRZSA-N 317.349 -0.175 30 20 DBED CC#CCN1CCCCC[C@@H]1CNC(=O)[C@@H]1CC(=O)NC(=O)N1 969053122 DZOJHPHDZJEDHE-OLZOCXBDSA-N 320.393 -0.031 30 20 DBED C#CCCN1C[C@H]2CC[C@H]1CN2C(=O)C[C@H]1CC(=O)NC1=O 972184488 XKIKYOFPCXOGDN-FRRDWIJNSA-N 303.362 -0.262 30 20 DBED N#CCN1C[C@H]2[C@H](CNC(=O)c3cn4c(n3)COCC4)[C@H]2C1 978329858 CUXIUWYVOOOWQC-CNDDSTCGSA-N 301.350 -0.156 30 20 DBED C#CCN1C[C@H]2[C@H](CNC(=O)c3ccc(-n4cnnn4)cn3)[C@H]2C1 978522718 BRCYVMADQORURP-ZSOGYDGISA-N 323.360 -0.402 30 20 DBED C[C@@]12CN(CC#N)C[C@]1(C)CN(C(=O)CN1CCOCC1=O)C2 982297922 UDMRCLFQIGKWLK-IYBDPMFKSA-N 320.393 -0.461 30 20 DBED N#Cc1ccc(C(=O)NC2CN(C(=O)[C@@H]3CCNC(=O)C3)C2)[nH]1 990889870 PIAROLOKSVIOGA-SECBINFHSA-N 315.333 -0.647 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CCN(C(=O)c3cnn[nH]3)C[C@H]2O)C1 991758455 QZZNEPGPXGCUFL-ZYHUDNBSSA-N 319.365 -0.147 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)c2cncc(C(N)=O)c2)C1 991814085 YDZFOYYYWGCEIP-QMMMGPOBSA-N 301.306 -0.719 30 20 DBED C#Cc1ccc(C(=O)N2CC(NC(=O)Cn3nccn3)C2)cn1 991947052 YHUDXFOFAJBNSJ-UHFFFAOYSA-N 310.317 -0.705 30 20 DBED C#CCN1CC[C@]2(NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)CCC[C@H]12 992176026 WBFCZXDEWVXCIH-RSUWNVLCSA-N 305.378 -0.234 30 20 DBED C=CCN[C@H]1CN(C(=O)Cn2ccc(=O)n(C)c2=O)CC1(C)C 995878423 FLQHETXYRUKRFR-LBPRGKRZSA-N 320.393 -0.440 30 20 DBED C=CCN1CCC(NC(=O)c2cc(=O)n3[nH]cnc3n2)CC1 1003961718 NNPLETJLNSPKBY-UHFFFAOYSA-N 302.338 -0.202 30 20 DBED Cn1nccc1CC(=O)NC1[C@H]2CN(C(=O)C#CC3CC3)C[C@H]12 1013019301 WJWGRDCWUJWRLD-KBPBESRZSA-N 312.373 -0.051 30 20 DBED N#CCN1CC[C@@H]2[C@H](CCCN2C(=O)Cn2cnnc2O)C1 1021566271 IBIYIAUYDSBDOJ-VXGBXAGGSA-N 304.354 -0.180 30 20 DBED Cn1c(O)ncc(C(=O)N2C[C@H]3[C@@H](NCC#N)CC[C@H]3C2)c1=O 1026326024 GRSOFOFTNJZFJS-WCQGTBRESA-N 317.349 -0.550 30 20 DBED C#CCCN1CCC[C@H]1CNC(=O)[C@@H]1COCCN1C(C)=O 1028325296 CPBSKHUOMXDMBM-GJZGRUSLSA-N 307.394 -0.162 30 20 DBED C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)CN1CC(=O)N(C)C1=O 1032728762 LIAWSHLFXIDAKR-RYUDHWBXSA-N 306.366 -0.258 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCCCN(CC(N)=O)C1 1034249727 NAZHXVQFUAADSV-KGLIPLIRSA-N 306.410 -0.460 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)c2ccc3nc(O)[nH]c3n2)C1 1035483001 FZSLLTHLKFOGGB-JTQLQIEISA-N 315.333 -0.273 30 20 DBED CC#CCN1CCO[C@@H](CNC(=O)c2ccoc2CC(N)=O)C1 1035486076 WRRNQCHXHXCQKL-LBPRGKRZSA-N 319.361 -0.239 30 20 DBED CC#CCN1CCO[C@H](CNC(=O)[C@H]2CCCC(=O)N2C)C1 1035594881 AHWOVDPKAVLDSW-ZIAGYGMSSA-N 307.394 -0.162 30 20 DBED C#CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1c2n(c(=O)n1C)CCCC2 1037587131 WPCYBRLLUBXIDX-KWCYVHTRSA-N 314.389 -0.041 30 20 DBED N#CCN1CC[C@@H]1CNC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 1038248846 ZGPDGPHLZZTMMN-GHMZBOCLSA-N 302.338 -0.523 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCN1Cc1n[nH]c(C)n1 1038369899 XMZHGXXLOMPGCS-KBPBESRZSA-N 316.409 -0.099 30 20 DBED CC#CCN1CC[C@H]1CNC(=O)C1CC2(C1)NC(=O)NC2=O 1038804738 RXGHRWGVGYPGRX-VTWZXRTESA-N 304.350 -0.812 30 20 DBED CCCN(C)CCC(=O)N1CC[C@@](O)(CNC(=O)[C@@H](C)C#N)C1 1040759110 DXEGAXYVGNIRPF-XJKSGUPXSA-N 324.425 -0.042 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(O)(CNC(=O)Cc2ccon2)C1 1042209575 JVXVJXQQWGJUOL-AWEZNQCLSA-N 323.349 -0.766 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(O)CN(C(=O)CC(C)(C)O)C1 1042807613 XAELLOLLQIGXHR-AWEZNQCLSA-N 314.382 -0.836 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2CC)C1 1043042643 SNRGSYQKGWFKJO-YNEHKIRRSA-N 308.378 -0.240 30 20 DBED CN(C)C(=O)CC(=O)NCC1(O)CN(C(=O)C#CC(C)(C)C)C1 1043102353 PVZDPFHOSWXULG-UHFFFAOYSA-N 323.393 -0.796 30 20 DBED C=C(C)CCC(=O)NCC1(O)CN(C(=O)[C@H]2CCNC(=O)C2)C1 1043310300 DIOPNCKXZDZDDB-LBPRGKRZSA-N 323.393 -0.442 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)[C@H]2CCCNC2=O)C1 1043478773 PVCSKVSNJCETGG-LBPRGKRZSA-N 321.377 -0.994 30 20 DBED O=C(NCC1(O)CN(C(=O)C#CC2CC2)C1)[C@H]1C[C@H]2C=C[C@H]1O2 1043616268 CQXMEJZOPIICSS-HZSPNIEDSA-N 316.357 -0.567 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)c2c[nH]nc2CC)C1 1043801373 ZNVWEMANLGSAIT-UHFFFAOYSA-N 322.365 -0.522 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)Cc2ccc(O)nc2)C1 1043921605 FQODTJOQEWYAPL-JTQLQIEISA-N 318.333 -0.821 30 20 DBED CC#CCN1CC(N(C)C(=O)Cn2nc3n(c2=O)CCCC3)C1 1044149738 YZAUFXJXIKWFCL-UHFFFAOYSA-N 317.393 -0.453 30 20 DBED C=C[C@@H](C)[C@H](C)C(=O)NCC1(O)CN(C(=O)Cn2nccn2)C1 1044979573 GUPBQHAKYUFBCA-NEPJUHHUSA-N 321.381 -0.574 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)C[C@@H]2CCN(C)C2)C1 1045546258 JZBFBMKXCOZMDV-NEPJUHHUSA-N 308.382 -0.823 30 20 DBED C#CCN1CC[C@@H](N2CCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)CC2)C1 1046053927 HOISALXROBOMMM-WCVJEAGWSA-N 303.406 -0.270 30 20 DBED COCCn1cc(C(=O)N(C)[C@H]2CN(CC#N)C[C@@H]2O)cn1 1047612716 MUWOPMGKUUIVMI-STQMWFEESA-N 307.354 -0.830 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C(C)(F)F)C1 1048011421 XVWYGDUTIOKTTM-UWVGGRQHSA-N 306.309 -0.126 30 20 DBED C#CCCCC(=O)N(C)[C@H]1CN(C(=O)CC(C)(C)O)C[C@@H]1O 1048750014 IEDSKBLAPRHADU-STQMWFEESA-N 310.394 -0.019 30 20 DBED C#CCCCC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CCC(=O)N2)C[C@@H]1O 1048757556 IRPLYISRUILTJP-AVGNSLFASA-N 321.377 -0.901 30 20 DBED CC(C)(C)n1nnc(C(=O)N2C[C@@H]3CN(CC#N)C[C@@H]3C2)n1 1048829456 SMIFGQVRVZTQEM-PHIMTYICSA-N 303.370 -0.045 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)[C@H]1CN(C(=O)c2cocn2)C[C@@H]1O 1048852314 KNPUWMSPNZPHLH-DRZSPHRISA-N 321.333 -0.643 30 20 DBED C#CCCCCCC(=O)N(C)[C@H]1CN(C(=O)CC(N)=O)C[C@@H]1O 1049176422 OPEDUCQENOVEJE-STQMWFEESA-N 323.393 -0.524 30 20 DBED CN(C)C(=O)CN1CCOC[C@H]1CNC(=O)c1ccc(C#N)[nH]1 1050871639 GGNNOFMOFZYNDZ-GFCCVEGCSA-N 319.365 -0.595 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H]1CN(C(=O)C(F)F)C[C@H]1C 1051707654 SQAXGOLWNKDZMI-NXEZZACHSA-N 315.320 -0.398 30 20 DBED C=CCOCC(=O)N1C[C@@H](C)[C@H](CNC(=O)C2(C(N)=O)CC2)C1 1052220306 IOJMGHARGUYMTF-VXGBXAGGSA-N 323.393 -0.335 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1CNC(=O)CNC(N)=O 1052548211 MHCXDPXDUZUMSB-ZYHUDNBSSA-N 306.366 -0.721 30 20 DBED N#CCN1CC2(CC[C@H](CNC(=O)c3ccc(O)nn3)O2)C1 1053567381 YRRWDVAJBGVBJD-SNVBAGLBSA-N 303.322 -0.331 30 20 DBED C#CCN1CC2(CC[C@@H](CNC(=O)[C@@H]3CCN(C(C)=O)C3)O2)C1 1053689931 FWAWCSNCIHBIEJ-CABCVRRESA-N 319.405 -0.162 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)c3cccn(C)c3=O)CO2)C1 1053985503 RPZYPKLJAOGPHH-CYBMUJFWSA-N 315.373 -0.018 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)c3ccc(=O)n(C)n3)CO2)C1 1054002049 PWXFQSQZLTXMQQ-LBPRGKRZSA-N 316.361 -0.623 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@](CO)(NC(=O)c2cnccn2)C1 1055727575 XXUKVOUESGUNLJ-NHYWBVRUSA-N 317.349 -0.280 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@](CO)(NC(=O)CSCC#N)C1 1055786229 SSGZNUKOMLARKU-RISCZKNCSA-N 324.406 -0.127 30 20 DBED Cc1nc(CC(=O)NC2[C@@H]3CN(c4cnc(C#N)cn4)C[C@@H]23)n[nH]1 1056201944 GFNLXHUBZWFJFX-GHMZBOCLSA-N 324.348 -0.432 30 20 DBED N#Cc1ccc(N2C[C@@H]3C(NC(=O)Cn4cncn4)[C@H]3C2)cn1 1056217998 RJDHTUFSTIXOHT-STQMWFEESA-N 309.333 -0.204 30 20 DBED N#Cc1nccc(N2C[C@H]3C(NC(=O)Cc4ncc[nH]4)[C@@H]3C2)n1 1056276713 PDCALULJKGKLQZ-NXEZZACHSA-N 309.333 -0.135 30 20 DBED N#Cc1ccc(N2C[C@H]3[C@H](NC(=O)c4cnnc(O)c4)[C@H]3C2)nn1 1056333567 MYZAIJYVMQZEKB-YABSGUDNSA-N 323.316 -0.292 30 20 DBED N#Cc1cnc(N[C@@H]2CCN(C(=O)[C@@H]3CCC(=O)N3)C2)cn1 1056674458 NGECZFTVADDJAS-KOLCDFICSA-N 300.322 -0.360 30 20 DBED CN1C(=O)CC[C@H]1C(=O)N1CC[C@@H](N=c2cc[nH]c(C#N)n2)C1 1056747274 OIHSEXDUKDCWRK-MNOVXSKESA-N 314.349 -0.596 30 20 DBED C=CC(C)(C)C(=O)NCCN(CCO)C(=O)[C@H]1COCCO1 1057043933 PBPONYVJUXKWGS-GFCCVEGCSA-N 314.382 -0.449 30 20 DBED C=CCOCCCC(=O)NCCN(CCO)C(=O)c1cn[nH]c1 1057073713 CCSFGUIHJDHPIV-UHFFFAOYSA-N 324.381 -0.057 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)CCCCC(N)=O 1057168977 XCTHAFQCNHWRLJ-UHFFFAOYSA-N 313.398 -0.065 30 20 DBED C=C(C)C(C)(C)C(=O)NCCN(CCO)C(=O)c1ncn(C)n1 1057499314 XQTJZEIBCZKMNG-UHFFFAOYSA-N 323.397 -0.032 30 20 DBED C#CCOCCC(=O)NCCN(CCO)C(=O)c1ccn(C)n1 1057639675 KIOJNYOCMVQBDI-UHFFFAOYSA-N 322.365 -0.989 30 20 DBED C=C[C@H](CC)CC(=O)NCCN(CCO)C(=O)Cn1ncnn1 1057674816 CJXKXMYVVOIBMJ-GFCCVEGCSA-N 324.385 -0.788 30 20 DBED CN1CCOC[C@@H]1C(=O)N[C@H]1CCN(c2ccnc(C#N)n2)C1 1058319606 YDGVJNHOCXWOFX-NWDGAFQWSA-N 316.365 -0.626 30 20 DBED C=C[C@@H](C)[C@H](C)C(=O)N(CCO)CCNC(=O)CC(=O)NC 1058436140 XCPZOBNALBKARQ-NEPJUHHUSA-N 313.398 -0.482 30 20 DBED Cn1cc(C(=O)N2[C@H]3CC[C@H]2CN(c2ccnc(C#N)n2)C3)nn1 1058753321 NNKKIKBKPFDYND-QWRGUYRKSA-N 324.348 -0.030 30 20 DBED C#CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)C1(CF)CC1 1058781363 YYTWRNSMKABOEN-LBPRGKRZSA-N 314.357 -0.289 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1C[C@@H](NC(=O)[C@H]2CC[C@H]2C(N)=O)C1 1059784060 CKQWGSPEGKYVEL-XQHKEYJVSA-N 313.361 -0.054 30 20 DBED N#Cc1nccnc1NC[C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 1060992198 PDDHPEFSCTYYCV-AXFHLTTASA-N 314.349 -0.270 30 20 DBED COCCC(=O)NC[C@H]1COCCN1C(=O)c1c[nH]c(C#N)c1 1061160564 LKVCPEPHJXSXGY-ZDUSSCGKSA-N 320.349 -0.120 30 20 DBED N#Cc1cncc(N2CCC[C@@H]2CNC(=O)[C@H]2COCCO2)n1 1061298677 OMYALFNKILJQKS-CHWSQXEVSA-N 317.349 -0.151 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)C1=COCCO1 1061845097 CLDBXGDZCLLVRI-QWRGUYRKSA-N 309.322 -0.622 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)c1cnc(O)n1C 1061851968 SBVRQEAUYKJXJR-NXEZZACHSA-N 321.337 -0.757 30 20 DBED C#CCOCCC(=O)NC1(CNC(=O)CNC(=O)NC)CCC1 1063333669 GFKPOBFDJQICDF-UHFFFAOYSA-N 324.381 -0.890 30 20 DBED Cn1cc(C(=O)N[C@H]2[C@H]3C[C@H]2N(c2cnc(C#N)cn2)C3)nn1 1064243052 ZZCNGDOVTKQTDB-KDDOJWQBSA-N 310.321 -0.516 30 20 DBED N#Cc1nc(=NC[C@@H]2CCCN2C(=O)[C@H]2C[C@H]2C(N)=O)cc[nH]1 1065012102 DOKMXEXPEVGYDG-AXFHLTTASA-N 314.349 -0.706 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CN(C(=O)c2cnn(C)c2N)CCO1 1065071945 SFFCVIOETXGMLB-ZJUUUORDSA-N 320.353 -0.881 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CN(C(=O)c2cncnc2)CCO1 1065072604 FDVQJEHENCSJCB-JQWIXIFHSA-N 303.322 -0.407 30 20 DBED C[C@@]1(NC(=O)[C@H]2C[C@H]2C(N)=O)CCN(c2cnc(C#N)cn2)C1 1065329034 FPGALLKHKGDOQR-JRPNMDOOSA-N 314.349 -0.445 30 20 DBED N#Cc1cnc(N2CCOC[C@H]2CNC(=O)[C@@H]2CCCO2)cn1 1066457836 UAJCQFDVPXDWRX-OLZOCXBDSA-N 317.349 -0.151 30 20 DBED CNC(=O)NCC(=O)N(C)CCCN(C)C(=O)C#CC1CC1 1067380631 QIRPKXJNODBRFO-UHFFFAOYSA-N 308.382 -0.364 30 20 DBED C[C@H]1C[C@H](N=c2cc[nH]c(C#N)n2)CN1C(=O)c1cnnn1C 1069084830 JWDOYROLIWREPV-UWVGGRQHSA-N 312.337 -0.386 30 20 DBED C=CCN[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1c1cn(C)cn1 1070491546 QZYCUXNCMNUCKS-WCQYABFASA-N 315.381 -0.068 30 20 DBED C=CCN1C[C@@H]2OC(=O)N([C@@H]3CCN(C(=O)COC)C3)[C@@H]2C1 1070897079 AVGVDVMVDTVCGU-UPJWGTAASA-N 309.366 -0.075 30 20 DBED N#CCN1CCNC(=O)CCN(C(=O)c2ncccn2)CC1 1071010663 SWMGMEYBSGBHCF-UHFFFAOYSA-N 302.338 -0.736 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CCCN(C(=O)c2cn(C)c(=O)cn2)C1 1071078431 GIMNNVFOZFMOCP-WDEREUQCSA-N 317.349 -0.339 30 20 DBED C[C@H]1CN(C(=O)c2cnn(C)n2)C[C@@]2(CCN(CC#N)C2)O1 1071221289 PDFZXDZZMUXGFU-FZMZJTMJSA-N 304.354 -0.356 30 20 DBED C=CCCCC(=O)N[C@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1C 1071554177 REXKADXYVLCXIF-RYUDHWBXSA-N 306.370 -0.008 30 20 DBED CC#CCN1CCCO[C@H](CNC(=O)[C@@H]2CCC(=O)NC2)C1 1073671765 DPRCIXCTQVZLFR-ZIAGYGMSSA-N 307.394 -0.257 30 20 DBED CNC(=O)NCC(=O)N[C@H]1CCN(C(=O)C#CC(C)C)C[C@@H]1C 1074010871 KZFPQHJWIZEKOC-STQMWFEESA-N 322.409 -0.072 30 20 DBED CC#CCN1CCO[C@H]2CCN(C(=O)CCn3ccnn3)C[C@@H]21 1074225092 BITPXXXLMRCHSF-GJZGRUSLSA-N 317.393 -0.007 30 20 DBED C[C@H]1C[C@H](NC(=O)CC(N)=O)CCN1C(=O)CSCC#N 1074908526 ZXHLYVVBHIHDMZ-VHSXEESVSA-N 312.395 -0.386 30 20 DBED C=CCn1cc(C(=O)NCC[C@H](C)NC(=O)c2cnon2)nn1 1076575869 LLROSBZLNCXNRN-VIFPVBQESA-N 319.325 -0.215 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN(C(=O)CC)C2)C1 1077046064 AODBWWNZTLGBMM-RBSFLKMASA-N 321.421 -0.180 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)c2ccc3nnnn3c2)C1 1077378373 SQFRRJSQJDBLRV-VXGBXAGGSA-N 302.338 -0.525 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2ccc(NC(N)=O)cc2)C1 1078130104 NHMQEVWPJGVSLV-CHWSQXEVSA-N 302.334 -0.415 30 20 DBED C=CCOCC(=O)N1CC(N(CC)C(=O)CCn2ccnn2)C1 1079669417 NDJMKQDZDNIFJJ-UHFFFAOYSA-N 321.381 -0.070 30 20 DBED CCN(C(=O)C#CC1CC1)C1CN(C(=O)[C@H]2CCCNC2=O)C1 1079739047 FCJVRWNXVNIMLA-AWEZNQCLSA-N 317.389 -0.015 30 20 DBED C=C(Cl)CN1C[C@@H](NC(=O)CN2CCNC(=O)C2)[C@H](C)C1 1080256191 CVMBOWPDUFPUTM-ZYHUDNBSSA-N 314.817 -0.393 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CO)(NC(=O)c2cnon2)CC1 1080961275 CCDZBTDPPMZVTL-VIFPVBQESA-N 307.310 -0.687 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CO)(NC(=O)CCN(C)C)CC1 1080989474 XUKAEPITNFOMNQ-LBPRGKRZSA-N 310.398 -0.433 30 20 DBED CCOCC(=O)N1C[C@H](CNC(=O)CSCC#N)[C@@H](O)C1 1081287353 WQKMQOLYFQNJIX-QWRGUYRKSA-N 315.395 -0.785 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(C(=O)CCCF)C[C@@H]1O 1081489514 VYWBBNMEKIRZCR-OLZOCXBDSA-N 314.357 -0.289 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1cnn2cccnc12 1082012185 YECKUCRODSJUFX-VXGBXAGGSA-N 300.322 -0.318 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@@H]2Cc3cncn3C(=O)N2)C[C@H]1C 1082658148 OJJSYPYZPONDEW-KGYLQXTDSA-N 301.350 -0.565 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)Cn1cc(Cl)cn1 1083206669 MWNVXMGXSSCHDC-NWDGAFQWSA-N 309.757 -0.028 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CN([C@@H](C)COC)C[C@@H]2O)nn1 1083843363 DXYZUKFVLVMVCP-LOWVWBTDSA-N 309.370 -0.726 30 20 DBED C#CCOc1ncccc1C(=O)N[C@@H]1CN(CCF)C[C@@H]1O 1083967327 BJBIWPZBZBGOHF-OLZOCXBDSA-N 307.325 -0.162 30 20 DBED C#CCN1CC[C@H](NC(=O)C2CC3(C2)NC(=O)NC3=O)[C@H]1CC 1087758640 DOOQXLLUMZOTBU-LZUBYRBGSA-N 318.377 -0.423 30 20 DBED C[C@@H](C[C@@H](C)Nc1cncc(C#N)n1)NC(=O)c1nnn(C)n1 1089451895 WDPHOFLAKVBECM-BDAKNGLRSA-N 315.341 -0.119 30 20 DBED COC[C@H](C)C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1O 1090386906 CSPMRYYAMQLZQC-HBNTYKKESA-N 305.338 -0.704 30 20 DBED N#CCN1CC[C@H](NC(=O)c2ccc(C(N)=O)s2)[C@H](O)C1 1090644067 IMIOOIGSLPNLPU-DTWKUNHWSA-N 308.363 -0.464 30 20 DBED CCOCC(=O)N1CCO[C@@H]2CN(c3cncc(C#N)n3)C[C@@H]21 1091035095 QIINGAHFJAOCBS-QWHCGFSZSA-N 317.349 -0.199 30 20 DBED COC[C@@H](C)C(=O)N[C@@H]1CN(c2nc(C)cc(C#N)n2)C[C@@H]1O 1091089320 YQBCBBBYCYRLFP-WQAKAFBOSA-N 319.365 -0.395 30 20 DBED C=CCN1C[C@@H]2CN(C(=O)CN3C(=O)CN(C)C3=O)C[C@]2(C)C1 1092260010 HBVSRRDMMXYVCF-WBMJQRKESA-N 320.393 -0.153 30 20 DBED C[C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1CNc1cncc(C#N)n1 1092634136 PQVREINGANCFQY-NXEZZACHSA-N 317.353 -0.477 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1[C@@H]2CN(c3cnc(F)cn3)C[C@@H]21 1093267097 URCDQXSGHQOQTE-RTUWITSCSA-N 317.324 -0.694 30 20 DBED Cn1cc(CCC(=O)NCCNc2cncc(C#N)n2)nn1 1093713206 ASKNNDYWMJSTKM-UHFFFAOYSA-N 300.326 -0.362 30 20 DBED N#Cc1c[nH]ccc1=NCCNC(=O)[C@H]1CCNC(=O)CC1 1094024124 PSIHOUNIZOFHAH-LLVKDONJSA-N 301.350 -0.180 30 20 DBED N#Cc1cncc(NCCNC(=O)[C@@H]2CCNC(=O)CC2)n1 1094024233 VRDSXABNCIOBBO-JTQLQIEISA-N 302.338 -0.207 30 20 DBED N#Cc1ccc(NCCNC(=O)CN2CCOCC2=O)cn1 1094210827 RLZGEPBOWOFBCE-UHFFFAOYSA-N 303.322 -0.660 30 20 DBED Cc1nsc(NCCCNC(=O)Cn2cnnn2)c1C#N 1094314816 NBHYCHFDCHZMEN-UHFFFAOYSA-N 306.355 -0.072 30 20 DBED C=C(C)CN1CC(n2cc(CNC(=O)c3nc[nH]n3)nn2)C1 1094327665 LHQXBAUOPPHRLJ-UHFFFAOYSA-N 302.342 -0.241 30 20 DBED N#Cc1cnc(NCCCNC(=O)CCn2cnnn2)cn1 1094541822 RUQSMZBANSZDBZ-UHFFFAOYSA-N 301.314 -0.657 30 20 DBED N#CCN1CC(N2C[C@H](NC(=O)CC3=CCOCC3)CC2=O)C1 1094781903 CUIFFRBGPRWYHO-CYBMUJFWSA-N 318.377 -0.352 30 20 DBED C#CCNC(=O)CC(=O)NCCCN(C)c1nccc(OC)n1 1095523409 HQOVGODBRNKBEN-UHFFFAOYSA-N 319.365 -0.433 30 20 DBED CN(CCCNC(=O)C[C@@H]1CCNC1=O)c1nccnc1C#N 1095654897 KZPWFGBJMIRRBB-NSHDSACASA-N 316.365 -0.183 30 20 DBED COC[C@@H](OC)C(=O)N[C@H]1CCN(c2cnc(C#N)cn2)C1 1096482726 PKIRUMMGCWBRQU-CMPLNLGQSA-N 305.338 -0.295 30 20 DBED CNC(=O)NCC(=O)N[C@H]1CCN(c2ccncc2C#N)C1 1096492805 COVBIKTWKQIPCR-NSHDSACASA-N 302.338 -0.423 30 20 DBED C=C(C)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H]1CCS(=O)(=O)N1 1096566432 YEZXWBQSEUDSLU-VOAKCMCISA-N 313.423 -0.024 30 20 DBED Cc1c(CC(=O)NC[C@H](C)N=c2cc[nH]c(C#N)n2)cnn1C 1098093137 IFGIDUBMJNKGBS-JTQLQIEISA-N 313.365 -0.029 30 20 DBED C#CCNCc1cn([C@@H]2CCN(C(=O)[C@@H](C)NC(C)=O)C2)nn1 1098607886 IFOYLRLPJUXZGI-BXUZGUMPSA-N 318.381 -0.701 30 20 DBED C[C@@H](CCNC(=O)[C@H]1CN(C)C(=O)N1)N=c1cc[nH]c(C#N)n1 1099617137 QUDNOIZRJWRICU-VHSXEESVSA-N 317.353 -0.900 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)CCC(C)C)[C@@H](O)C1 1099662838 DZVJBONCTCIYDV-KGLIPLIRSA-N 309.410 -0.277 30 20 DBED C=C(Cl)CN1CC[C@@H](NC(=O)CCn2cncn2)[C@@H](O)C1 1099679387 ZQRHDUMWJOMBJC-NEPJUHHUSA-N 313.789 -0.028 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(CCn2cccn2)C[C@@H]1O 1099738899 UCOGTYPMAHFKJJ-KGLIPLIRSA-N 308.382 -0.363 30 20 DBED CC(C)(C)C#CC(=O)N[C@H]1CCN(CC(=O)N2CCC2)C[C@@H]1O 1099826888 RQNYLFVIBNJCML-KBPBESRZSA-N 321.421 -0.180 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)CCCCNC(N)=O)[C@@H](O)C1 1099909163 OIIOGBUKDGCEFP-STQMWFEESA-N 312.414 -0.048 30 20 DBED C=CC(C)(C)C(=O)N[C@H]1CCN(CCOCCO)C[C@@H]1O 1099959120 CJZDVCJOLGEWIZ-STQMWFEESA-N 300.399 -0.241 30 20 DBED CC#CCN1CC[C@@H](NC(=O)C2(C(=O)N(C)C)CC2)[C@@H](O)C1 1100071949 MPUYUQUUCPSIAM-OLZOCXBDSA-N 307.394 -0.571 30 20 DBED C=CCCN1CC[C@@H](NC(=O)CS(=O)(=O)CC)[C@H](O)C1 1100130271 ZJIGTXYAGWVLOR-VXGBXAGGSA-N 304.412 -0.451 30 20 DBED CN(CCNC(=O)[C@]1(C)CCC(=O)N1)c1cnc(C#N)cn1 1100309802 NNFNQRBJTSXTJN-AWEZNQCLSA-N 302.338 -0.431 30 20 DBED CCN(CCNC(=O)CS(C)(=O)=O)c1cncc(C#N)n1 1100470163 BJLAZQROXNPGIB-UHFFFAOYSA-N 311.367 -0.665 30 20 DBED C#CCNC(=O)[C@H](C)NC1CC(CNC(=O)CCCN(C)C)C1 1100620927 FDPSHIRMFSWGIZ-NFOMZHRRSA-N 322.453 -0.050 30 20 DBED N#Cc1nccnc1N(CCNC(=O)[C@@H]1COC(=O)N1)C1CC1 1101336319 XWBDCTWQIWQBPI-NSHDSACASA-N 316.321 -0.458 30 20 DBED CNC(=O)NCC(=O)NCCN(c1ccc(C#N)nc1)C1CC1 1101461015 HXECIQPIGJNWBW-UHFFFAOYSA-N 316.365 -0.033 30 20 DBED CN(CCNc1nccnc1C#N)C(=O)[C@H]1CCC(=O)N1C 1101914901 YXEKGLGJKCJVAM-LLVKDONJSA-N 302.338 -0.161 30 20 DBED COCC(=O)N[C@H](C)C(=O)N(C)CCNc1ccc(C#N)cn1 1102008545 XEIOASFTLAMCQX-LLVKDONJSA-N 319.365 -0.025 30 20 DBED Cc1nn[nH]c1C(=O)NC[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1102212121 PFXCUUQANHRIEN-MWLCHTKSSA-N 319.369 -0.949 30 20 DBED CC(=O)NCC(=O)NCC[C@@H]1CCN(c2cnc(C#N)cn2)C1 1102268898 WLDNHLKRJDJODZ-GFCCVEGCSA-N 316.365 -0.183 30 20 DBED Cc1nn(CC(=O)NC[C@@H]2CN(CC#N)C[C@H]2C)c(=O)n1C 1102540097 CVEPQVILAFZWAT-ZYHUDNBSSA-N 306.370 -0.902 30 20 DBED CC[C@@H](CNC(=O)CCn1cnnn1)Nc1nccnc1C#N 1103173567 KYEANMIJXHEUDJ-JTQLQIEISA-N 315.341 -0.268 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)CCn1cncn1 1104460984 ZTJQYRHQLIHENX-LLVKDONJSA-N 314.353 -0.289 30 20 DBED CC(C)[C@H](CNC(=O)Cn1ncnn1)Nc1ccc(C#N)nn1 1105234833 MPBTYQKWMCTOIF-NSHDSACASA-N 315.341 -0.412 30 20 DBED Cc1[nH]nc(C(=O)NC[C@@H](O)CNc2cncc(C#N)n2)c1C 1105761983 JQYUCFIYVJQTBS-NSHDSACASA-N 315.337 -0.109 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](O)CNC(=O)CC(C)(C)O)n1 1105804693 YASPTBTVKYYEJO-NSHDSACASA-N 307.354 -0.293 30 20 DBED CS[C@@H](C)CC(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1 1105827504 TUBBWVIHJRLKFU-VHSXEESVSA-N 309.395 -0.199 30 20 DBED N#Cc1cccnc1NC[C@@H](O)CNC(=O)CO[C@@H]1CCOC1 1105973534 YTTCRTCWKJMTRK-QWHCGFSZSA-N 320.349 -0.352 30 20 DBED CC#CCCCC(=O)NC[C@@H](O)CNc1nccn2nnnc12 1106062416 HTHWSZIDWKBDKM-LLVKDONJSA-N 317.353 -0.398 30 20 DBED Cc1nc(C)c(C(=O)NC[C@@H](O)CN=c2cc[nH]c(C#N)n2)[nH]1 1106110353 ODRKOWGCIGHKEJ-JTQLQIEISA-N 315.337 -0.687 30 20 DBED C[C@@H](CCNc1nccnc1C#N)NC(=O)c1nnn(C)n1 1106523600 OZZOBMBWXHOLOQ-QMMMGPOBSA-N 301.314 -0.508 30 20 DBED C#CCNC[C@@H]1CN(C(=O)[C@H]2CCc3nnnn3CC2)C[C@H]1C 1106682411 IIEKTUCDMLODCF-HZSPNIEDSA-N 316.409 -0.057 30 20 DBED C=CCN1CC(n2cc(CNC(=O)C(C)(C)C(N)=O)nn2)C1 1107180424 QZKBHQZIWHBDAY-UHFFFAOYSA-N 306.370 -0.552 30 20 DBED N#Cc1cncc(NC/C=C/CNC(=O)C[C@H]2CCNC2=O)n1 1107374823 JQKBMLYDCAFVKR-FMBMQGQPSA-N 314.349 -0.041 30 20 DBED Cc1nn(C)cc1CC(=O)N[C@H](C)CN=c1cc[nH]c(C#N)n1 1108181561 ZHQXVMVMFHNFLL-SNVBAGLBSA-N 313.365 -0.029 30 20 DBED C=CCCn1cc(C(=O)NC[C@]2(C)CN(CCO)CCO2)nn1 1108270596 LFQRGYIQWCOURH-OAHLLOKOSA-N 323.397 -0.333 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1[C@H]2C[C@H]1N(c1nccnc1C#N)C2 1109703914 GYCAAVWLLIJBRE-NVBFEUDRSA-N 324.344 -0.819 30 20 DBED N#Cc1nc(=NC[C@@H](NC(=O)CCNC(N)=O)C2CC2)cc[nH]1 1109850439 ZCQYVUCKPORFDT-SNVBAGLBSA-N 317.353 -0.865 30 20 DBED COCC#CCN1CCN(C(=O)CN(C)C(=O)C2CC2)CC1 1112915226 HARNVZMCSPPBIG-UHFFFAOYSA-N 307.394 -0.351 30 20 DBED Cc1nsc(N(C)[C@H](C)CNC(=O)Cn2cnnn2)c1C#N 1113486699 FHTCETCQPMXUOM-MRVPVSSYSA-N 320.382 -0.049 30 20 DBED CCN1CC[C@H](N2C[C@H]3C(NC(=O)CSCC#N)[C@@H]3C2)C1=O 1113896712 HEZBHGUBLBFIBS-UTUOFQBUSA-N 322.434 -0.090 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)[C@@H]3CCNC(=O)C3)[C@@H]2C1 1114137021 QXMXRBHGPFEWEZ-JHJVBQTASA-N 305.378 -0.791 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)[C@@H]3CCN(C)[C@@H]3C)[C@@H]2C1 1114298318 IDNPDSRKFPFDCW-AAVRWANBSA-N 320.437 -0.325 30 20 DBED N#Cc1nccc(N2CCCCC[C@H]2CNC(=O)C(N)=O)n1 1114377278 FKYOVKAMTKTNTM-JTQLQIEISA-N 302.338 -0.301 30 20 DBED CN(CCOCCNC(=O)c1cn[nH]c1)c1ccc(C#N)nn1 1115178485 WWOIBFUZJIUNEI-UHFFFAOYSA-N 315.337 -0.046 30 20 DBED CNC(=O)NC(C)(C)C(=O)N[C@H]1[C@@H]2CN(CC#CCOC)C[C@@H]21 1115293047 ZVRFHLVOIBRCMD-ITGUQSILSA-N 322.409 -0.610 30 20 DBED C=CCCOCC(=O)N[C@H]1[C@@H]2CN([C@H]3CCN(C)C3=O)C[C@@H]21 1115330786 TULAVAPVJXQBHJ-SFDCQRBFSA-N 307.394 -0.144 30 20 DBED C[C@H](NC(N)=O)C(=O)N(C)C[C@@H](C)N=c1cc[nH]c(C#N)n1 1115674513 JDUDAWXRSGBMJE-BDAKNGLRSA-N 305.342 -0.914 30 20 DBED CC#CC(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 1116937349 RCELVNVQSORKPX-UHFFFAOYSA-N 310.379 -0.287 30 20 DBED C=CCNC(=O)CNC1CC2(C1)CC(NC(=O)CNC(C)=O)C2 1120522008 CNWNWNOUNSRVRG-UHFFFAOYSA-N 322.409 -0.558 30 20 DBED CN1CC[C@H](C(=O)NC[C@@H](CO)Nc2ccc(C#N)nn2)C1 1121588533 BTYXHHMRALPOAR-JQWIXIFHSA-N 304.354 -0.811 30 20 DBED CCOCCOCC(=O)NC[C@@H](CO)N=c1cc[nH]cc1C#N 1121678852 WPLCKALJMKAXNK-ZDUSSCGKSA-N 322.365 -0.683 30 20 DBED Cc1nc[nH]c1CC(=O)NC[C@@H](CO)Nc1nccnc1C#N 1121853556 CUGHVELWWZWIJW-JTQLQIEISA-N 315.337 -0.489 30 20 DBED Cc1conc1C(=O)NC[C@H](CO)Nc1ccc(C#N)nn1 1121977348 OLYOERRVYOCKMP-SNVBAGLBSA-N 302.294 -0.153 30 20 DBED CC[C@H](NC(C)=O)C(=O)NC[C@H](CO)Nc1cncc(C#N)n1 1122643487 DAWMMMKEPPJIBQ-NEPJUHHUSA-N 320.353 -0.848 30 20 DBED N#Cc1nc(=N[C@@H](CO)CNC(=O)[C@@]23CCC[C@@H]2C3)cc[nH]1 1122996656 IOQXKOMSAZWQLP-UEKVPHQBSA-N 301.350 -0.151 30 20 DBED CC(C)COC[C@H](O)CNCCNC(=O)CSCC#N 1123799443 SAAGPABAMZOSBL-GFCCVEGCSA-N 303.428 -0.018 30 20 DBED COCC(C)(C)C(=O)N(C)C[C@@H](O)CN=c1cc[nH]c(C#N)n1 1124596677 PSGVHQULFDVIAS-NSHDSACASA-N 321.381 -0.326 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)[C@H](CC)SC 1125739167 GQIQBFSOZMYWCH-JTQLQIEISA-N 316.427 -0.154 30 20 DBED CCCC(=O)NCc1cnn2c1CN(CC(=O)NCC#N)CC2 1128153285 FZBXVPMLZOQIII-UHFFFAOYSA-N 318.381 -0.245 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@@H](C)Cn1ccc(C)n1 1128208449 BQJNJDMGDMJPJL-LBPRGKRZSA-N 307.398 -0.164 30 20 DBED CNC(=O)NCC(=O)NCCNCc1ccc(OCC#N)cc1 1128788842 ACTCZSBZHWPLDV-UHFFFAOYSA-N 319.365 -0.276 30 20 DBED C#CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H](C)OCC#C)C1 1128989212 MSMKPAQPTDGVOR-KFWWJZLASA-N 315.377 -0.319 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)[C@@]2(CC)CCNC2=O)C1=O 1129872410 XMACQOOYCAYAHU-WBMJQRKESA-N 322.409 -0.605 30 20 DBED C[C@H]1CC[C@H](NC(=O)CCCn2c(O)nnc2O)CN1CC#N 1132140414 IHGPVSIRMADXDN-QWRGUYRKSA-N 322.369 -0.038 30 20 DBED C[C@@H]1CCN(C(=O)c2cnc(O)n(C)c2=O)C[C@@H]1CNCC#N 1133026772 OVFFDHDQOFDTRP-MNOVXSKESA-N 319.365 -0.303 30 20 DBED COCC#CCNCCNC(=O)c1c2n(c(=O)n1C)CCCC2 1133889984 CYUSMCLCPJSJNI-UHFFFAOYSA-N 320.393 -0.508 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1ccc(C(N)=O)s1 1135263197 NEPNYLOWLLGBND-VIFPVBQESA-N 322.390 -0.696 30 20 DBED C=CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)CCNC(N)=O 1146217101 VOVGHOGCDVBONX-QWRGUYRKSA-N 313.402 -0.780 30 20 DBED C#CCCN1CCCO[C@@H](CNC(=O)C[C@@H](C)NC(N)=O)C1 1149721739 QLYUESLIKVNPPC-OLZOCXBDSA-N 310.398 -0.336 30 20 DBED N#CCNC(=O)CN1CCCO[C@H](CNC(=O)CCCF)C1 1150107863 AGNMHAXNFWWKNH-GFCCVEGCSA-N 314.361 -0.417 30 20 DBED CCN(CC#N)[C@H](C)CNC(=O)[C@@H]1CCN(C)S1(=O)=O 1155751339 OHPQDCWVASVUSB-MNOVXSKESA-N 302.400 -0.630 30 20 DBED C#CCOCCC(=O)NCCCNCCNC(=O)NC(C)C 1157845889 GNLMZCFJQWEZOB-UHFFFAOYSA-N 312.414 -0.170 30 20 DBED C#CCN1CC=C(CCNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 1161200908 XTXKDDKZAFNBBE-UONOGXRCSA-N 305.378 -0.209 30 20 DBED N#CCNC(=O)CNCCCNC(=O)Cn1cc(C2CC2)cn1 1161420153 ZDWQSNSMVUGJGW-UHFFFAOYSA-N 318.381 -0.504 30 20 DBED CC#CCNCC1(CCNC(=O)C[C@H](NC(C)=O)C(N)=O)CC1 1167398912 BMEWXSLVVFHORY-ZDUSSCGKSA-N 322.409 -0.734 30 20 DBED C=CCNC(=O)CNCCCNC(=O)c1ccc(=O)n(CC)n1 1168675216 TXPXRGUFHAKNIB-UHFFFAOYSA-N 321.381 -0.725 30 20 DBED C#CCNCCCC[C@@H](C)NC(=O)CN1CCCS1(=O)=O 1171122137 XOLYXXNFIFXNEU-CYBMUJFWSA-N 315.439 -0.080 30 20 DBED C[C@H]1CC[C@@H](C)N1CC(=O)NCCCNCC(=O)NCC#N 1176844652 NEWOJFRFNJMRCY-BETUJISGSA-N 309.414 -0.405 30 20 DBED C=CCOCCNC[C@@H]1CCN(C(=O)CNC(N)=O)C[C@@H]1C 1183822922 OYFIZMYICSBWDD-STQMWFEESA-N 312.414 -0.069 30 20 DBED N#CCNC[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)CC12CCOCC2 1186494680 NMEILSQZXCOQBC-UPJWGTAASA-N 320.393 -0.524 30 20 DBED N#CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3cnsn3)[C@@H]2C1 1187062475 BSGSGUAUDDLYHA-GXSJLCMTSA-N 320.378 -0.676 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2ccnn2CC)C1 1189810224 USTJSARXWLWKQQ-ZDUSSCGKSA-N 317.393 -0.201 30 20 DBED CN(CC(=O)NCC#N)[C@H]1CCN(C(=O)CCc2ncc[nH]2)C1 1189873440 FAZOGJQCKJWRBW-LBPRGKRZSA-N 318.381 -0.485 30 20 DBED Cc1ccnc(C(=O)N2CC[C@H](N(C)CC(=O)NCC#N)C2)n1 1189894333 VSODBNSDXDMCGU-LBPRGKRZSA-N 316.365 -0.429 30 20 DBED COc1ccc(CN2C[C@@H](O)[C@H](NC(=O)[C@@H](C)C#N)C2)cn1 1191854276 KQNGAHXIRNJRHI-CYZMBNFOSA-N 304.350 -0.089 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)[C@@]2(F)CCOC2)C1 1191949273 PWOIERGAPOGIAZ-IUODEOHRSA-N 311.357 -0.603 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)CC(C)(F)F)C1 1196003792 GSSMCYJZOWKJRG-HBNTYKKESA-N 319.352 -0.116 30 20 DBED N#CCNC(=O)CN1CCCN(C(=O)Cc2ccc[nH]2)CC1 1198190496 ILXKWESUHKSMRC-UHFFFAOYSA-N 303.366 -0.269 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)CCOC)C1 1198810106 NUNBDQGJCLFXRY-YNEHKIRRSA-N 313.398 -0.878 30 20 DBED C=CCOCCNC[C@H]1CN(C(=O)c2nc[nH]n2)CCCO1 1201668960 NGHVYXCTXXYAHB-LBPRGKRZSA-N 309.370 -0.172 30 20 DBED C#CCNC[C@H]1CN(C(=O)COCc2ncnn2C)CCCO1 1201757262 FEGSTMCJQNHADS-ZDUSSCGKSA-N 321.381 -0.828 30 20 DBED C[C@H]1CCCN1CC(=O)N1CCC(NCC(=O)NCC#N)CC1 1202495543 GFATXCHETRWLLK-ZDUSSCGKSA-N 321.425 -0.309 30 20 DBED N#CCNC(=O)CN[C@@H]1C[C@H](NC(=O)c2cnn[nH]2)C12CCC2 1203116405 ZSNRYVAFNHKNME-MNOVXSKESA-N 317.353 -0.925 30 20 DBED C=C(C)CCNC1CCN(C(=O)c2cn(CC(N)=O)nn2)CC1 1203896094 IFPQFVAAQDBWFN-UHFFFAOYSA-N 320.397 -0.076 30 20 DBED Cc1noc(C)c1C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1205922020 POSSEYXHAAAUPP-BXKDBHETSA-N 319.365 -0.019 30 20 DBED C#CCNCC1CCN(C(=O)[C@H](C)NS(C)(=O)=O)CC1 1206409035 CFIOKVXQFOZSSM-NSHDSACASA-N 301.412 -0.615 30 20 DBED C[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 1206880796 DWFMKEUUYACLKO-LDYMZIIASA-N 318.337 -0.869 30 20 DBED C=C(C)CN1C[C@@H](NC(=O)CC[C@H]2NC(=O)NC2=O)[C@H](C)C1 1210883951 SRJZVHHNHXCPPZ-IJLUTSLNSA-N 308.382 -0.013 30 20 DBED CO[C@@H]1CN(Cc2nc(O)n[nH]2)C[C@H]1NC(=O)C#CC1CC1 1212246486 UOIXTCNWKZSRKV-GHMZBOCLSA-N 305.338 -0.761 30 20 DBED C=C(C)CCC(=O)N[C@@H]1CN(Cc2nnn(C)n2)C[C@H]1OC 1212346899 HUDICGVDCGUPFC-VXGBXAGGSA-N 308.386 -0.118 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1CN(CC#N)C[C@H]1OC 1213537965 ZBVPHMZHYIZVMA-BFHYXJOUSA-N 308.382 -0.204 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@@H](CC)N2CCCC2=O)[C@H](OC)C1 1213882064 JMUYZDQXJVBSIJ-MGPQQGTHSA-N 307.394 -0.164 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1C 1214558095 QYXNUSZVLVYOES-GRYCIOLGSA-N 318.381 -0.997 30 20 DBED CCS(=O)(=O)N[C@@H](C)C(=O)N1C[C@@H](NCC#N)[C@H](C)C1 1214683535 AYRZXTBIQZRSIK-OUAUKWLOSA-N 302.400 -0.726 30 20 DBED C=CCOCCCC(=O)N[C@@H]1CN(CC(=O)NCC)C[C@@H]1O 1219426700 LXPRGPXGLAYCJM-OLZOCXBDSA-N 313.398 -0.733 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@@]2(CC(C)C)CCNC2=O)C1 1219826149 RRYBZRAZXATDTJ-JKIFEVAISA-N 321.421 -0.277 30 20 DBED CN(C)S(=O)(=O)CC(=O)N[C@@H]1CCCC[C@H]1NCC#N 1230010092 FJDGIOSWNSPBBW-GHMZBOCLSA-N 302.400 -0.582 30 20 DBED CN(C)S(=O)(=O)CCC(=O)NC1CCN(CC#N)CC1 1230334290 OWMAQMNWLXVPQC-UHFFFAOYSA-N 302.400 -0.628 30 20 DBED CN(C[C@@H]1CCN1CC(=O)NCC#N)C(=O)Cc1cc[nH]n1 1231379714 ZRMABMQGSXCQDZ-LBPRGKRZSA-N 304.354 -0.875 30 20 DBED C=CCN1CC[C@@H](N2CC[C@H]2CN(C)C(=O)CC(N)=O)C1=O 1231402309 UBLRNDSVTOZDFN-NWDGAFQWSA-N 308.382 -0.819 30 20 DBED Cc1ccc(CNC(=O)C(=O)N2CC[C@](O)(CC#N)C2)cn1 1261464156 KZMRPFFQGIOOHT-OAHLLOKOSA-N 302.334 -0.117 30 20 DBED COC(=O)Cn1ncc(NC(=O)C(=O)NCC2(C#N)CC2)c1C 1321571346 AJVUJFNLFCEKOD-UHFFFAOYSA-N 319.321 -0.277 30 20 DBED C=CCSCCNC(=O)C(=O)N1CC[C@@H](S(C)(=O)=O)C1 1322106971 HQWJQKOAPBSZGG-SNVBAGLBSA-N 320.436 -0.333 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N[C@H]1CC(=O)N(C(C)C)C1 1322244314 CFZBXCUEISBKKE-ZDUSSCGKSA-N 303.362 -0.403 30 20 DBED C=CCNC(=O)COC(=O)c1ncsc1S(N)(=O)=O 1323793181 YDMUHNZYJUMHMD-UHFFFAOYSA-N 305.337 -0.751 30 20 DBED COC(=O)[C@@H]1CCN(C(=O)C(=O)N2CC[C@@](F)(C#N)C2)[C@H]1C 1325460493 RQZSXTCYUGZMGN-IMSIIYSGSA-N 311.313 -0.139 30 20 DBED COC[C@@](C)(C#N)NC(=O)CCn1cnc2c(N)ncnc21 1328255172 DVPGUZSRIKHWQT-CYBMUJFWSA-N 303.326 -0.157 30 20 DBED CC(C)OC[C@@H](CO)N(C)C(=O)C(=O)Nc1cnn(CC#N)c1 1339104243 XQHXKRLAAYCWNP-GFCCVEGCSA-N 323.353 -0.411 30 20 DBED C#CCN1CCN(c2nnc(Cc3nn[nH]n3)n2CC)CC1 1341052321 PKJUCSKQCKNGGJ-UHFFFAOYSA-N 301.358 -0.843 30 20 DBED C#CCSCCNC(=O)C(=O)N1CCC[C@H](OCCO)C1 1346610960 SBDMOTRBUBYVQU-LBPRGKRZSA-N 314.407 -0.531 30 20 DBED C#CCN(C(=O)C(=O)N[C@H]1CCc2nc(C)nn2C1)C(C)C 1354442241 NBDWCDPFPIIOPX-LBPRGKRZSA-N 303.366 -0.112 30 20 DBED CC(C)Cn1[nH]c(CC(=O)NCCn2cnc(C#N)n2)cc1=O 1361381395 XCJYNHMDQPRJRL-UHFFFAOYSA-N 317.353 -0.346 30 20 DBED C=C(Cl)CN1CCO[C@@H](CNC(=O)Cn2cnnn2)C1 1367303218 ZLWZELQRXRRBFG-JTQLQIEISA-N 300.750 -0.757 30 20 DBED C[C@@H](CNC(=O)[C@H]1COC(=O)N1)NC(=O)c1cc(C#N)c[nH]1 1372855051 WEBUBFGHYCWATP-OIBJUYFYSA-N 305.294 -0.771 30 20 DBED C[C@H](C#N)C(=O)NCCN1CCN(Cc2cnn(C)n2)CC1 1376075618 AGNSMWLNYPFTSL-GFCCVEGCSA-N 305.386 -0.791 30 20 DBED CN(C[C@@H](O)CNCc1nncn1C)C(=O)c1cc(C#N)c[nH]1 1382395646 FQQLLGQESJRVFI-NSHDSACASA-N 317.353 -0.762 30 20 DBED CCCn1cc(C(=O)NC[C@H](O)CNC(=O)[C@H](C)C#N)cn1 1389112765 MNOOOHIKKVQMGR-ZYHUDNBSSA-N 307.354 -0.340 30 20 DBED CNC(=O)NC(=O)[C@H](C)N1CCC(C)(NC(=O)[C@@H](C)C#N)CC1 1402078459 OWEQMHFMAMSTIU-QWRGUYRKSA-N 323.397 -0.039 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CN(C)C(=O)CCCn1cncn1 1413336902 PXLZPNUDXQTZPL-NEPJUHHUSA-N 322.369 -0.847 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]1CN(C)C(=O)CN1CCOCC1 1414109955 HKWDHWLEWSSACM-STQMWFEESA-N 308.382 -0.462 30 20 DBED CC(=O)N[C@@H](C(=O)N[C@H]1[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]21)C(C)C 1415071273 IUXIROBHIDZELV-DDNMXHNFSA-N 320.393 -0.120 30 20 DBED N#CC[C@]1(O)CCN(C(=O)c2cnc3n(c2=O)CCS3)C1 1434123378 HLQVOYHOTIZUAP-ZDUSSCGKSA-N 306.347 -0.160 30 20 DBED CCNC(=O)NC(=O)CN1CCC(C)(NC(=O)[C@H](C)C#N)CC1 1439798319 RMMNRCLUULLGQH-LLVKDONJSA-N 323.397 -0.038 30 20 DBED N#Cc1cn(CCC(=O)N2CC(O)(C3CC3)C2)c(=O)nc1O 1447803572 UGLBRHKWMWOGCD-UHFFFAOYSA-N 304.306 -0.806 30 20 DBED CN(Cc1nnc2c(=O)[nH]ccn12)C(=O)c1cccc(C#N)n1 1455292680 JGETYXVCHLPPBU-UHFFFAOYSA-N 309.289 -0.044 30 20 DBED CN1CCC(NC(=O)NCCn2cc(C#N)c(O)nc2=O)CC1 1477245835 NRKKEFCIHUAKMY-UHFFFAOYSA-N 320.353 -0.786 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H]1CNC(=O)CN1CCOCC1=O 1497101249 DFWHTTPJHNKANY-NEPJUHHUSA-N 322.365 -0.888 30 20 DBED C#CCN1CCC(C(=O)NCC(=O)N2CCN(C)CC2)CC1 1522453204 MVJODEIYOIOKGD-UHFFFAOYSA-N 306.410 -0.778 30 20 DBED C[C@]1(C(=O)N2CCN(c3ncccc3C#N)CC2)C[C@@H](O)CN1 1573597494 RMPIDBVCDHISHK-CZUORRHYSA-N 315.377 -0.285 30 20 DBED N#CCCN1CCN(C(=O)Nc2ncn(CC(=O)O)n2)CC1 1574241107 GPEJNGWRQKAEMV-UHFFFAOYSA-N 307.314 -0.574 30 20 DBED C[C@H]1CN(c2cnc(C#N)c(-c3nn[nH]n3)n2)CCN1CCO 1576364083 JVECCBAFLAZIDI-VIFPVBQESA-N 315.341 -0.969 30 20 DBED COC(=O)[C@@H]1CCN(c2cnc(-c3nn[nH]n3)c(C#N)n2)C1 1579442301 DOFCIZPPILQZLP-SSDOTTSWSA-N 300.282 -0.472 30 20 DBED C#CC[C@@H](NC(=O)[C@@H](C)N1C(=O)NC2(CCCC2)C1=O)C(=O)O 1588399636 WGZGBMBAGMOAFZ-NXEZZACHSA-N 321.333 -0.168 30 20 DBED C#CCN(CC(=O)O)C(=O)CN(C)C(=O)[C@@H](C)n1cccn1 1588402665 ZUVAYTUZGIOQPD-LLVKDONJSA-N 306.322 -0.551 30 20 DBED C#CCN(CC(=O)NC[C@@H](O)CC(=O)O)C(=O)OC(C)(C)C 1588465989 QLECOIUYWFIYSK-JTQLQIEISA-N 314.338 -0.192 30 20 DBED C=CCNC(=O)CN1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1C[C@@H]1C(=O)O 1588839242 PWBDKNLSQYNKHW-RNJOBUHISA-N 321.377 -0.316 30 20 DBED Cc1ccn(CN2CCOC[C@@H]2C#N)c(=O)c1-c1nn[nH]n1 1592267609 RQVQZHGWTQXTIJ-JTQLQIEISA-N 301.310 -0.481 30 20 DBED N#Cc1nc(NC(=O)C[C@H]2CCC(=O)N2)[nH]c1-c1nn[nH]n1 1592682835 FTSYTOIPJKYPBP-RXMQYKEDSA-N 301.270 -0.931 30 20 DBED C=C[C@H](COC)NC(=O)N1CCO[C@](COC)(C(=O)O)C1 1602717687 XXGWWKPLXACJTL-ZWNOBZJWSA-N 302.327 -0.301 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)c1ncc(-c2nn[nH]n2)cc1C 1609021269 MYZUDVAVEXTJFT-VIFPVBQESA-N 314.305 -0.135 30 20 DBED C[C@H](C(=O)N1CC[C@](F)(C#N)C1)n1cnc(-c2nn[nH]n2)n1 1609067841 AAJZQQYSIVOWMA-HQJQHLMTSA-N 305.277 -0.517 30 20 DBED C=CC1CCN(C(=O)C(=O)N2C[C@@H](O)C[C@H](C(=O)O)C2)CC1 1609287112 FOJXYBWLPJGZRD-RYUDHWBXSA-N 310.350 -0.295 30 20 DBED C=CCNC(=O)CN1CCC[C@H](NC(=O)c2ccnnc2)C1 1731354353 PTZOFKFRACCECX-ZDUSSCGKSA-N 303.366 -0.027 30 20 DBED C=CCCC(=O)N[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)[C@@H]1C 1735313212 IOFWCQYVWFNEGD-MNOVXSKESA-N 322.365 -0.390 30 20 DBED CCN(CCCNC(=O)[C@@H](C)C#N)CC(=O)N1CCOCC1 1752170744 PVTLXGZEESLMSD-ZDUSSCGKSA-N 310.398 -0.167 30 20 DBED C=CCN1CCN(CCCNC(=O)[C@@H]2CCCNC2=O)CC1 1752344253 OSYQIMLLKZFHCD-CQSZACIVSA-N 308.426 -0.178 30 20 DBED N#CCNC(=O)CN1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCCCO1 1752531960 GPINKDFUPXHRRI-MJBXVCDLSA-N 320.393 -0.130 30 20 DBED C#CCNC(=O)CN1CCC[C@H]1CNC(=O)c1snnc1C 1753098039 CEUZIMZUGKMQFC-NSHDSACASA-N 321.406 -0.210 30 20 DBED C#CCCN(C)C[C@@H]1CCN(C(=O)c2cn(C)c(=O)nc2O)C1 1753358984 DJGHGSGZKFWIMM-LBPRGKRZSA-N 318.377 -0.097 30 20 DBED CC[C@@H](CNC(=O)c1c(C)nn(C)c1C)NCC(=O)NCC#N 1753481654 WNSDYAVEAQHVMZ-LBPRGKRZSA-N 320.397 -0.225 30 20 DBED CN(CCN(C)C(=O)CCc1cnccn1)CC(=O)NCC#N 1753876476 SOACULMFMVIYQD-UHFFFAOYSA-N 318.381 -0.561 30 20 DBED C#CCCNC[C@H](O)CNC(=O)[C@H]1CCCN(C(=O)C2CC2)C1 1753918734 BMRISPMBYYYKTQ-GJZGRUSLSA-N 321.421 -0.275 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@H](NC(=O)c1cccnn1)C1CC1 1754455230 ORIFCTAPKFYCSY-FZMZJTMJSA-N 315.377 -0.288 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@H]1CNC(=O)Cc1cnn(C)c1 1754475194 MCAXJQJEOHBKMB-JSGCOSHPSA-N 317.393 -0.709 30 20 DBED C=CCNC(=O)CN1CC(N(C)C(=O)CCc2ccn(C)n2)C1 1754576457 MRVSMDLGPVBFDV-UHFFFAOYSA-N 319.409 -0.203 30 20 DBED CC[C@H](C)NC(=O)CN1CC[C@](O)(CNC(=O)C#CC2CC2)C1 1754748449 IZUHAMMHUUHGNP-GUYCJALGSA-N 321.421 -0.133 30 20 DBED N#CCN1CC[C@@](O)(CNC(=O)c2cnc3nccn3c2)C1 1754753456 ZPNPBBHSBRECRC-CQSZACIVSA-N 300.322 -0.581 30 20 DBED C=CCNC(=O)CN1CC(O)(CNC(=O)Cc2ccoc2)C1 1754773866 FMBSQYWQQRUODR-UHFFFAOYSA-N 307.350 -0.713 30 20 DBED C#CCCN1CCOC[C@H]1CNC(=O)C(=O)NCC(F)F 1754969462 ZIMIWGBYSDCNJP-SNVBAGLBSA-N 303.309 -0.792 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)Cn1ccc(C)cc1=O 1754972210 HAAAHSSQZZFDOM-CQSZACIVSA-N 303.362 -0.393 30 20 DBED COCC#CCN(C)CCCN(C)C(=O)c1nnc(O)nc1O 1755040223 MWASTBMSZATIKM-UHFFFAOYSA-N 323.353 -0.674 30 20 DBED CN(CC(=O)NCC#N)C[C@H]1CCCN1C(=O)c1cnco1 1755196098 FFHWDPZBDNOAPE-LLVKDONJSA-N 305.338 -0.149 30 20 DBED C#CCNC(=O)CN(C)C[C@H](O)CN(C)C(=O)c1ccncc1 1755798191 PTLTXQKCYZHWLJ-AWEZNQCLSA-N 318.377 -0.804 30 20 DBED CC#CCN(C)CCN(C(=O)CNC(=O)CNC(C)=O)C(C)C 1755812767 SMKJHUGWSRIXDS-UHFFFAOYSA-N 324.425 -0.569 30 20 DBED C=CCC1(C(=O)N2CC([C@@H](C)NC(=O)C(N)=O)C2)CCOCC1 1756155201 RJTNLNCKBCOZBQ-LLVKDONJSA-N 323.393 -0.192 30 20 DBED Cc1cccc(C(=O)N[C@@H](CO)CNC(=O)CSCC#N)n1 1756504148 WZOYGUYIFWDOSI-LLVKDONJSA-N 322.390 -0.146 30 20 DBED C=C(C)C(C)(C)C(=O)N[C@H](CO)CNC(=O)c1nnn(C)c1C 1756510273 GFLGUWCQXKHQOL-NSHDSACASA-N 323.397 -0.067 30 20 DBED CC(C)C#CC(=O)N(C)C[C@H](O)CN(C)C(=O)[C@@H]1CCOC1 1756684031 RAYWGSMXIUMPNP-KGLIPLIRSA-N 310.394 -0.040 30 20 DBED CC#CCCCC(=O)N1C[C@H](O)[C@H](NC(=O)[C@@H]2CCOC2)C1 1757160539 WSNLBEGYDSCVCJ-MCIONIFRSA-N 308.378 -0.096 30 20 DBED C=CCCC(=O)N[C@@H]1CN(C(=O)c2cn(CC)nn2)C[C@@H]1O 1757160736 CILVCEMHVOWKPB-PWSUYJOCSA-N 307.354 -0.434 30 20 DBED C=CCCCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCNC(=O)C2)C[C@@H]1O 1757205400 WQVBRARVHYIWDZ-UPJWGTAASA-N 323.393 -0.443 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H]1C[C@@H](CNC(=O)[C@H](C)NC(C)=O)C1 1757309249 IIWTYSOFJYKJPT-UZGDPCLZSA-N 323.393 -0.440 30 20 DBED CNC(=O)[C@H]1CN(S(=O)(=O)c2ccc(C#N)nc2)CCO1 1771648044 XVPOPODTFUNYRZ-LLVKDONJSA-N 310.335 -0.911 30 20 DBED C=CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)CC(N)=O 1793432808 DIEHSWIBHVDFBH-OHTBPHCPSA-N 323.393 -0.336 30 20 DBED COC(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC#N 1795077337 DPKARLBYIVSBST-PTEHBNRSSA-N 309.366 -0.085 30 20 DBED N#CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CCNC1=N 1796023468 SNDLNGYEAPYVRO-ZSBIGDGJSA-N 318.381 -0.622 30 20 DBED C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)O 1800755857 LVZZSOJPRMGQLA-NZHYYXIDSA-N 302.396 -0.725 30 20 DBED C[C@H](S)C(=O)N1CC2(CCCN2C(=O)Cn2cnnn2)C1 1843085271 WOJQYMHUDYSUEX-VIFPVBQESA-N 310.383 -0.805 30 20 DBED CC(C)[C@H](S)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(O)O 1847443386 QSFDBTFILPTAFC-GUBZILKMSA-N 302.396 -0.547 30 20 DBED C=CCN(CCCS(=O)(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 66561055 LUOQEFFWVSHEKI-LBPRGKRZSA-N 324.468 -0.057 30 20 DBED CC(C)[C@H](C#N)N1CCN(C(=O)CN(C)S(C)(=O)=O)CC1 68329120 YFKRKEQGICQRJG-LBPRGKRZSA-N 316.427 -0.430 30 20 DBED CN1CCN(C(=O)CCNS(=O)(=O)CCCCC#N)CC1 68881986 XMSVYWOZMVEANJ-UHFFFAOYSA-N 316.427 -0.236 30 20 DBED C=C(C)CN1CCC(NC(=O)Cn2ccc(=O)n(C)c2=O)CC1 106038984 MWLCYVMBBQTCLW-UHFFFAOYSA-N 320.393 -0.296 30 20 DBED CNS(=O)(=O)CC(=O)N1CCN(c2ccccc2C#N)CC1 175203265 GPFPGAQYODRHIC-UHFFFAOYSA-N 322.390 -0.244 30 20 DBED C=CC[C@@H](NC(=O)[C@@H]1CCCCN1S(C)(=O)=O)C(=O)O 227518374 MUHYJBHIDGPBCA-ZJUUUORDSA-N 304.368 -0.054 30 20 DBED C/N=C(/NCc1nnc(C)n1C)N1CCC[C@H](CC(N)=O)C1 261676000 COSHZGIYFATWCH-LLVKDONJSA-N 307.402 -0.214 30 20 DBED CN(C)CCCN(CCC#N)C(=O)CN1CCC(=O)NC1=O 265284862 KTGBAEZMRBKHKJ-UHFFFAOYSA-N 309.370 -0.378 30 20 DBED N#Cc1ccc(NC(=O)C(=O)N2CCN3C(=O)NC[C@H]3C2)cc1 267599879 ALTFQZJBTYFEQQ-LBPRGKRZSA-N 313.317 -0.267 30 20 DBED CCc1nnc(N2CCN(S(N)(=O)=O)CC2)c(C#N)c1CC 268132898 BRYJOQHMUZLYEL-UHFFFAOYSA-N 324.410 -0.201 30 20 DBED Cn1c(NCCn2cc([N+](=O)[O-])cn2)c(C#N)c(=O)n(C)c1=O 269086312 IACLOQAGDKLHQA-UHFFFAOYSA-N 319.281 -0.828 30 20 DBED C=CCS(=O)(=O)CCNS(=O)(=O)CCC(=O)OCC 272808570 GKORFLNHICMZFQ-UHFFFAOYSA-N 313.397 -0.540 30 20 DBED O=C(C/N=C(/O)NC[C@]1(O)CCSC1)N1CCOCC1 329289447 QJACYCXWEOPGGY-GFCCVEGCSA-N 303.384 -0.783 30 20 DBED C=CCN1CC[C@@H](N(C)[C@@H]2CCN(S(C)(=O)=O)C2)C1=O 330275291 LHAYVAOLIRRYEH-VXGBXAGGSA-N 301.412 -0.261 30 20 DBED C=CC/N=C(/O)NC(=O)CN1CCN(C)[C@H](c2nc(C)no2)C1 330513695 CXZKPHPQOGOVCP-NSHDSACASA-N 322.369 -0.117 30 20 DBED COC(=O)[C@H]1CN(/C(O)=N/CC(=O)N2CCCCC2)CCO1 330562659 IUBJYJXJFFKQOD-LLVKDONJSA-N 313.354 -0.213 30 20 DBED CN(C)S(=O)(=O)c1cc(/C(O)=N/[C@H]2CNC(=O)C2)co1 330886826 MPZGJTODPIURST-MRVPVSSYSA-N 301.324 -0.277 30 20 DBED C=C(C)CN1CCC(NC(=O)CN2CCN(C)C(=O)C2)CC1 333115518 YOSRQRVEDPEVHB-UHFFFAOYSA-N 308.426 -0.083 30 20 DBED CCN1CCC[C@@H]1CNS(=O)(=O)N1CCO[C@H](C#N)C1 336897338 OJBYWYAGHWHGPQ-VXGBXAGGSA-N 302.400 -0.471 30 20 DBED COCCN(CC(=O)OC)S(=O)(=O)N(C)C[C@@H](C)C#N 337101427 WEPXSQLPKFMTPV-JTQLQIEISA-N 307.372 -0.556 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N[C@H]2CCC[C@H]2CCO)CCO1 337192492 UCVNRCWMDUBIOW-TUAOUCFPSA-N 303.384 -0.404 30 20 DBED COC(=O)[C@@H]1CN(S(=O)(=O)N(C)C[C@@H](C)C#N)C[C@H](C)O1 337984160 DTTRILPHVMHKPE-DCAQKATOSA-N 319.383 -0.415 30 20 DBED C=CC[C@H](CO)CNC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 342164024 PBJCJOIHFXMMPR-GGRQXOBESA-N 322.361 -0.550 30 20 DBED N#Cc1ncn(CC(=O)N(CCC(F)(F)F)C[C@@H](O)CO)n1 342982305 FJTGERLYEANZAH-MRVPVSSYSA-N 321.259 -0.716 30 20 DBED N#CCSCC(=O)Nc1ccn(CCN2CCOCC2)n1 343422270 WIVDBGPONVZICX-UHFFFAOYSA-N 309.395 0.411 30 20 DBED CN(C)S(=O)(=O)CCCS(=O)(=O)N[C@@]1(C#N)CC1(C)C 349573418 JRESTTYRHZGTOG-LLVKDONJSA-N 323.440 -0.120 30 20 DBED Cn1c(=O)c2nc(CN3CCC(F)(C#N)CC3)[nH]c2n(C)c1=O 352484543 QTKJUFFIPKAQFS-UHFFFAOYSA-N 320.328 -0.212 30 20 DBED N#CCNC(=O)CNC(=O)NC[C@@H](O)COc1ccc(F)cc1 358319707 YZDPOYLVLIXSOM-LLVKDONJSA-N 324.312 -0.496 30 20 DBED N#Cc1ccc2c(c1)N(C(=O)C(=O)NCCn1ncnn1)CC2 359370665 JXBLNHKREAQGLO-UHFFFAOYSA-N 311.305 -0.750 30 20 DBED C=CCN(CC=C)C(=O)CN1CCC[C@H]1C(=O)NCC(=O)OC 419344964 JLBGSNFGQYNHAQ-ZDUSSCGKSA-N 323.393 -0.059 30 20 DBED C=C(CC)CNC(=O)C(=O)N1C[C@@H](N)[C@H](c2cnn(C)c2)C1 424512923 WEYGKOOWDFCCBQ-QWHCGFSZSA-N 305.382 -0.244 30 20 DBED N#Cc1ccc(S(=O)(=O)NCCN2CCNCC2)cc1F 427955338 ARAAXIOKKSTECE-UHFFFAOYSA-N 312.370 -0.119 30 20 DBED C#CCN(C(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)C1CC1 491816886 ICIRODAUJWXSPM-AWEZNQCLSA-N 319.405 -0.209 30 20 DBED CCC(=O)CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 516929279 UMZVTAVUMCHOOT-UHFFFAOYSA-N 309.347 -0.068 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@@H]1C=C[C@@H](C(=O)O)C1 563227201 TZZNLGOGFGMRAN-GHMZBOCLSA-N 317.367 -0.288 30 20 DBED CN(C)[C@H]1CCCN(S(=O)(=O)N2CCO[C@H](C#N)C2)CC1 568962323 DAKZEBUGVJTOFQ-QWHCGFSZSA-N 316.427 -0.128 30 20 DBED N#Cc1ccc(S(=O)(=O)N2C[C@@H](O)[C@H](CO)C2)c(F)c1 573339716 VKRRAGBEUZYIBK-GXSJLCMTSA-N 300.311 -0.329 30 20 DBED CCN1CC[C@@H](NCCS(=O)(=O)c2ccc(C#N)cn2)C1=O 591765788 HWFPGGJQIIXYQZ-GFCCVEGCSA-N 322.390 -0.063 30 20 DBED N#CC1(CN2C(=O)N[C@@H](CC(=O)N3CCOCC3)C2=O)CCC1 594888669 ANMVCFYAYQCUMO-NSHDSACASA-N 320.349 -0.150 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)C1(C(=O)NC2CC2)CCC1 729740710 LPIGQYAPQMORNR-UHFFFAOYSA-N 323.349 -0.010 30 20 DBED C#CCNC(=O)Cn1nc(CC)c(CC)c(-c2nn[nH]n2)c1=O 735380467 HSIYKLIBLDTIIW-UHFFFAOYSA-N 315.337 -0.702 30 20 DBED N#Cc1cnn(C(=O)C2=CC=CN3CCS(=O)(=O)N=C23)c1N 746889187 JBARRGUDZFETKE-UHFFFAOYSA-N 318.318 -0.525 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C)C(=O)OCC)C1=O 748565017 OOGYISCCENBFDN-MRVPVSSYSA-N 311.294 -0.969 30 20 DBED C#CCNC(=O)Cn1cnc2c(nnn2-c2ccccc2)c1=O 750827959 NQHGVMOGTZPQOE-UHFFFAOYSA-N 308.301 -0.273 30 20 DBED C#C[C@@H](NCC(=O)c1c(O)nc(=O)n(CC)c1N)[C@H]1CCCO1 775791808 XEJKYHCJXBJFDD-MWLCHTKSSA-N 320.349 -0.496 30 20 DBED C[C@@H]1CCC(=NNC(=S)NCC(N)=O)[C@@H](n2cncn2)C1 794510562 SQFKNNUCJYDHGJ-SCZZXKLOSA-N 309.399 -0.055 30 20 DBED C#C[C@H](NC(=O)C(=O)NC1COC(C)(C)OC1)[C@@H]1CCCO1 806655016 DGLZFZDMWXLZJB-RYUDHWBXSA-N 310.350 -0.449 30 20 DBED Cc1cc(O)cc(=O)n1CCC(=O)N[C@@H]1CCCN(O)C1=O 816754054 VUBKWPZFJDUCRE-LLVKDONJSA-N 309.322 -0.251 30 20 DBED C[C@@H](C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[nH]1)c1cnn(C)c1 819877317 SZEDQIBYJFKAGT-ZCFIWIBFSA-N 312.297 -0.063 30 20 DBED N#Cc1nc(N)n(CCOC[C@H]2CCCO2)c1-c1nn[nH]n1 822846151 PQVXLLQSFWPPAW-MRVPVSSYSA-N 304.314 -0.287 30 20 DBED N#C[C@@H]1CN(C(=O)C2=NN3CCCN=C3N2)CCN1C1CC1 827383536 HKNXJXGQGVREDX-LLVKDONJSA-N 301.354 -0.836 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H](CO)Cc1cnn(C)c1 846649076 SPVGDFMZHMHQDG-CABCVRRESA-N 304.394 -0.215 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N[C@@H]1CCn2ccnc2C1 875337553 UQYUFBCACBUUCM-CHWSQXEVSA-N 318.377 -0.141 30 20 DBED C#CC1(O)CN(C(=O)c2cc(S(=O)(=O)N(C)C)oc2C)C1 890523934 UQNXWRCQNGTPIV-UHFFFAOYSA-N 312.347 -0.342 30 20 DBED C#CC[C@H]1NC(=O)N(CCCn2nc3n(c2=O)CCCC3)C1=O 927376428 CGCQYRGDEOIKAH-LLVKDONJSA-N 317.349 -0.285 30 20 DBED C#CC1(O)CN(CCC(=O)N2CCN(c3ncccn3)CC2)C1 934444722 OTTPAHSQPAWBIV-UHFFFAOYSA-N 315.377 -0.805 30 20 DBED C#Cc1cncc(C(=O)N2CCCN(C(=O)CC(N)=O)CC2)c1 940553729 PIEWXVGWQGLJLS-UHFFFAOYSA-N 314.345 -0.387 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2cn(C)nn2)C1 942447849 OTKFOYRAEKSJRT-WZRBSPASSA-N 319.365 -0.263 30 20 DBED C#CCCN1CC[C@H](NC(=O)CN2CC(=O)NC2=O)[C@@H](C)C1 943676828 WDJXWTNKRGYSNX-RYUDHWBXSA-N 306.366 -0.612 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2cnc(O)n(C)c2=O)C[C@H]1C 947603699 YEUJQLLCBWGWTD-GHMZBOCLSA-N 304.350 -0.298 30 20 DBED Cn1ncc(C(=O)N2CCOC3(CCN(CC#N)CC3)C2)c1N 949078278 CYAPXXTVYUSFMC-UHFFFAOYSA-N 318.381 -0.167 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2CCN2C(=O)c2cnn[nH]2)nc1 951376324 CCOIFOGYFMQXHD-LLVKDONJSA-N 310.317 -0.175 30 20 DBED Cn1nnc(C(=O)NC[C@H]2CCN2C(=O)c2ccc(C#N)[nH]2)n1 951621213 ZYSDKPTXTAMKGI-SECBINFHSA-N 314.309 -0.946 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2ccnn2CCOC)C1 958170868 ATMMFIVUYZCOPA-TZMCWYRMSA-N 306.366 -0.815 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2ccc3c(c2)nnn3C)C1 958182487 BDYBHFFXDJBIFL-IUODEOHRSA-N 313.361 -0.376 30 20 DBED CC#CCN1C[C@@H](O)[C@H](CNC(=O)c2c[nH]c(C)cc2=O)C1 958564653 XOWHVQHIMGNRLU-IUODEOHRSA-N 303.362 -0.271 30 20 DBED N#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cncnc2C2CC2)C1 958634547 BMKHJNWPCXQEIV-WCQYABFASA-N 301.350 -0.100 30 20 DBED C#CCCN1C[C@H](CNC(=O)c2cnn(CCOC)c2)[C@@H](O)C1 958635655 NVKSLZVPTKBDFU-ZFWWWQNUSA-N 320.393 -0.425 30 20 DBED C#CCN1C[C@@H]2C(NC(=O)CN3C(=O)CC(C)(C)C3=O)[C@H]2C1 959889399 BWIPGLHVCSCOMC-QWRGUYRKSA-N 303.362 -0.549 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H]2CN(C(=O)c3cnon3)C[C@@H]21 960877828 OQNLSOFCXPRBEV-DVVUODLYSA-N 305.294 -0.719 30 20 DBED C#CCNC1CC2(C1)CC(NC(=O)Cn1cnc(C(N)=O)n1)C2 963823492 NGZQNPDHSNEENI-UHFFFAOYSA-N 316.365 -0.973 30 20 DBED Cc1nnsc1C(=O)NC[C@H]1COCCN1C(=O)[C@@H](C)C#N 964073038 AFQSTZBPROHOCI-WPRPVWTQSA-N 323.378 -0.037 30 20 DBED O=C1NC[C@@H](C(=O)N[C@H]2CCCN(C(=O)C#CC3CC3)CC2)N1 965142145 LYERTCXQRPEPTH-STQMWFEESA-N 318.377 -0.422 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(C[C@@H](NC(=O)c3ccncn3)CO2)C1 965783760 WMAQPSKPIPCZAW-WDEREUQCSA-N 315.333 -0.264 30 20 DBED C=CCN1CC[C@H](N2C[C@H]3CC[C@H]2CN3C(=O)CC(N)=O)C1=O 971209205 YBPKHDMGSSECIV-XQQFMLRXSA-N 320.393 -0.676 30 20 DBED CN1C[C@@H](C(=O)N2CC[C@@]3(CN(CC#N)CCO3)C2)CCC1=O 972689404 XMILOLXSPNFUMT-XJKSGUPXSA-N 320.393 -0.318 30 20 DBED C=C(C)CN1C[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C(C)(C)C1 974674065 HPMWAEAZQXYORI-QWRGUYRKSA-N 308.382 -0.013 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)[C@H]3CCC(=O)N(C)C3)[C@H]2C1 976663149 RSZDFTKXIUVADC-ZXPJVPCYSA-N 318.377 -0.413 30 20 DBED CC#CCN1C[C@@H]2C(CNC(=O)c3cn(C)c(=O)n3C)[C@H]2C1 979092779 VARFOLSVVWVPIA-CHWSQXEVSA-N 302.378 -0.345 30 20 DBED C=CCn1cc(C(=O)N2CC3(CCCN(CCO)C3)C2)nn1 982057666 FGSVNQCBRFMMJT-UHFFFAOYSA-N 305.382 -0.006 30 20 DBED CC(=O)N1CCOC[C@H]1C(=O)NCC1=CCN(CC#N)CC1 1001460938 DVGBADJIKMLZRT-AWEZNQCLSA-N 306.366 -0.494 30 20 DBED C#CCN1CCC(CNC(=O)[C@@H]2COCCN2C(C)=O)CC1 1002137483 AWRPPPUHFBHTKV-HNNXBMFYSA-N 307.394 -0.305 30 20 DBED C=CCCN1CCC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 1007368927 MKBHYTVSGADPAU-LLVKDONJSA-N 306.370 -0.466 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@]2(CN(C(=O)c3cnn[nH]3)CCO2)C1 1007715509 DLCRDKXOABREPB-QMTHXVAHSA-N 318.337 -0.592 30 20 DBED C#Cc1ccc(C(=O)N2CCC[C@@H](NC(=O)C(N)=O)[C@@H]2C)nc1 1015184601 OSAKDTOLXACUKL-CMPLNLGQSA-N 314.345 -0.343 30 20 DBED N#Cc1cccc(CN2CC[C@@H](NC(=O)[C@H]3CNC(=O)N3)C2)c1 1015636015 ZNPIVPVASCLPAN-ZIAGYGMSSA-N 313.361 -0.070 30 20 DBED C[C@H](C#N)C(=O)N1CCCO[C@@H](CNC(=O)c2cn(C)cn2)C1 1019566439 CZEHLVHKVFFIRG-NEPJUHHUSA-N 319.365 -0.073 30 20 DBED C#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2cnnc2O)C1 1021567772 YJFSLVUVLKIBFN-QWHCGFSZSA-N 303.366 -0.070 30 20 DBED C#CCN1CCC[C@@H]1CNC(=O)[C@H]1CCc2nnnn2CC1 1028150440 QQIFCFVGIYUBFW-QWHCGFSZSA-N 302.382 -0.161 30 20 DBED CC#CCN1CC[C@H](N(C)C(=O)[C@@H]2CCN(C)S2(=O)=O)C1 1033501724 JXWMZCIUQFWOAA-STQMWFEESA-N 313.423 -0.424 30 20 DBED C#CCN[C@H]1CCN(C(=O)CN2CCOCC2=O)C[C@@H]1CC 1037860277 SJADVCOTOFKLAC-KBPBESRZSA-N 307.394 -0.305 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2CCN2Cc2nnn(C)n2)nc1 1038942682 JPIRUMBBHNFMDX-GFCCVEGCSA-N 311.349 -0.409 30 20 DBED C=CCCOCC(=O)NC[C@]1(O)CCN(C(=O)c2cn[nH]c2)C1 1040157006 QKPWVECXGYENQA-OAHLLOKOSA-N 322.365 -0.304 30 20 DBED C=CCO[C@H](C)C(=O)NC[C@]1(O)CCN(C(=O)c2ccon2)C1 1040160869 IKMGNAOODNRKRK-IAQYHMDHSA-N 323.349 -0.041 30 20 DBED C[C@@]1(C(=O)NC[C@@]2(O)CCN(C(=O)C#CC3CC3)C2)CCOC1 1040697912 AYLCCJWVAHNZIX-SJORKVTESA-N 320.389 -0.094 30 20 DBED Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)nn1 1040962309 WJXVGQSJTGIZOK-CHWSQXEVSA-N 312.333 -0.036 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)CCCOC)C1 1041672544 FIGDPRTWYUPRNA-UHFFFAOYSA-N 300.355 -0.695 30 20 DBED C[C@H](c1nnnn1C)N1CC(N(C)C(=O)c2c[nH]c(C#N)c2)C1 1042638994 YNJJNBBEPFGYAV-SECBINFHSA-N 314.353 -0.073 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)c2ccn(C)c2)C1 1042936415 HGUMGDHEPSPZIJ-UHFFFAOYSA-N 303.362 -0.012 30 20 DBED C=CCCOCC(=O)N1CC(O)(CNC(=O)C#CC(C)C)C1 1042943374 QDQNZJHNKVNIQY-UHFFFAOYSA-N 308.378 -0.072 30 20 DBED C[C@H]1C[C@H](C(=O)NCC2(O)CN(C(=O)C#CC3CC3)C2)CO1 1043622302 BOEFZRMOFVSZDQ-AAEUAGOBSA-N 306.362 -0.486 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)Cc2[nH]cnc2C)C1 1044319971 RYUVTAITXPEVNS-UHFFFAOYSA-N 322.365 -0.847 30 20 DBED CCc1c(C(=O)N2CC(O)(CNC(=O)[C@@H](C)C#N)C2)cnn1C 1045547177 WNOPVURARDEIKM-JTQLQIEISA-N 319.365 -0.555 30 20 DBED C=C[C@@](C)(CC)C(=O)NCC1(O)CN(C(=O)c2ncn(C)n2)C1 1045777354 HPSZCFVCVLJPIP-AWEZNQCLSA-N 321.381 -0.280 30 20 DBED C#CCCN1CC[C@@H](N2CCN(C(=O)c3cnn[nH]3)CC2)C1 1046042961 QDJSATLXPXWRGD-CYBMUJFWSA-N 302.382 -0.340 30 20 DBED C[C@@H]1COCC[C@H]1C(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1046225175 QXSYRVOAHDWRRK-TZMCWYRMSA-N 320.389 -0.238 30 20 DBED C=CCOCC(=O)N(C)[C@H]1CN(C(=O)c2conc2C)C[C@@H]1O 1048558623 SWKYMVHQBXWUCF-STQMWFEESA-N 323.349 -0.171 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)[C@@H]1CCN(C(=O)COC)C1 1049766295 RYCXXOWJUPWXOA-NWDGAFQWSA-N 309.366 -0.875 30 20 DBED N#CCN1CCOC[C@H]1CNC(=O)c1cn2c(n1)COCC2 1050981697 KJIGPEKXSGEKAY-LLVKDONJSA-N 305.338 -0.633 30 20 DBED CC#CCN1CCOC[C@H]1CNC(=O)[C@H]1CCN(C)C(=O)C1 1050989908 YURGXQNZTAIFMW-UONOGXRCSA-N 307.394 -0.305 30 20 DBED C=CCN1CCOC[C@H]1CNC(=O)c1cn([C@@H]2CCOC2)nn1 1051202203 GUTCORLHLHYDCU-CHWSQXEVSA-N 321.381 -0.144 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2COCCN2C[C@H](C)O)cn1 1051211755 HEGVUJXCBIFWIY-SWLSCSKDSA-N 303.362 -0.126 30 20 DBED CCCn1nnnc1CNC[C@@H]1CN(C(=O)[C@H](C)C#N)CCO1 1051495665 WGXCOZIQGHHGPL-VXGBXAGGSA-N 321.385 -0.440 30 20 DBED N#Cc1cccnc1N1CC[C@@H](NC(=O)c2cnn[nH]2)[C@H](O)C1 1051807319 UAJWEZCGPAJQEF-ZYHUDNBSSA-N 313.321 -0.559 30 20 DBED C#CCN1CCN([C@@H]2CCN(C(=O)c3nnn(C)c3C)C2)CC1 1052002615 IPABSTSWUYWWAU-CQSZACIVSA-N 316.409 -0.411 30 20 DBED C#CCCN1CCN([C@@H]2CCN(C(=O)Cc3nc[nH]n3)C2)CC1 1052107010 YWMGSZLIPGGXOZ-CQSZACIVSA-N 316.409 -0.411 30 20 DBED C=CCCC(=O)N1C[C@@H](C)[C@H](CNC(=O)Cn2cnnn2)C1 1052173810 AKMHBHZNPHXITE-VXGBXAGGSA-N 306.370 -0.150 30 20 DBED C=CCOCC(=O)N1C[C@H](C)[C@H](CNC(=O)CNC(N)=O)C1 1052212973 AMOWKTQZDYHJRA-WDEREUQCSA-N 312.370 -0.932 30 20 DBED C#CCCCC(=O)N1C[C@@H](C)[C@H](CNC(=O)CNC(N)=O)C1 1052472551 QENOCRRRGOEBMN-VXGBXAGGSA-N 308.382 -0.331 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)[C@]1(C)CCNC1=O)CCO2 1053425384 ANJDPELZJOWHGQ-OAHLLOKOSA-N 305.378 -0.551 30 20 DBED C#CCCCC(=O)N[C@]1(CO)CCCN(C(=O)c2cnn[nH]2)C1 1055911826 GWPAEBRFTGRVMO-OAHLLOKOSA-N 319.365 -0.309 30 20 DBED C[C@H](C#N)C(=O)N[C@]1(CO)CCCN(C(=O)c2cccnn2)C1 1056097635 SRSLTIHTDQFOPS-IAQYHMDHSA-N 317.349 -0.280 30 20 DBED Cc1cc(C#N)nc(N2C[C@H]3[C@H](NC(=O)Cn4cncn4)[C@H]3C2)n1 1056216110 IKQCTGRFBRVHHR-IMRBUKKESA-N 324.348 -0.501 30 20 DBED C#CCO[C@H](C)C(=O)NCCN(CCO)C(=O)c1ocnc1C 1057281970 QOQTXXIZIMEMNK-GFCCVEGCSA-N 323.349 -0.428 30 20 DBED C=CCO[C@H](C)C(=O)N(CCO)CCNC(=O)c1ccnnc1 1057923442 UJINOVSTMYRCND-GFCCVEGCSA-N 322.365 -0.382 30 20 DBED C#CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)c1[nH]cnc1C 1058064810 NVWLXWMWURXKGL-LBPRGKRZSA-N 322.365 -0.693 30 20 DBED N#CCSCC(=O)NCCN(CCO)C(=O)c1cccnn1 1058528087 UQYXOCMYJHUVCW-UHFFFAOYSA-N 323.378 -0.716 30 20 DBED N#Cc1nccnc1N[C@H]1C[C@@H](NC(=O)[C@@H]2CCNC(=O)C2)C1 1059597304 WJPFYRNSZJPDKY-MXWKQRLJSA-N 314.349 -0.066 30 20 DBED Cn1cc(C(=O)NC[C@H]2CCCN2c2nccnc2C#N)nn1 1061348172 BHLDNQHOMUFLII-SNVBAGLBSA-N 312.337 -0.124 30 20 DBED Cn1ncc(C(=O)NC[C@@H]2CCCN2c2ccnc(C#N)n2)n1 1061376125 MJRWRUAIOWGIJI-JTQLQIEISA-N 312.337 -0.124 30 20 DBED C=CCOCC(=O)NC[C@H]1COCCN1C(=O)COCC 1061421927 XHYJMJFKEOGVGC-LBPRGKRZSA-N 300.355 -0.431 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1C[C@H]1C 1061517757 FIPKJRPCKMBXDA-JHJVBQTASA-N 321.377 -0.875 30 20 DBED O=C(C#CC1CC1)NC[C@H]1COCCN1C(=O)Cc1nc[nH]n1 1061572248 RJNZIBOKCYURTN-LBPRGKRZSA-N 317.349 -0.896 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CN(C(=O)Cc2cnn(C)c2)CCO1 1064949302 YQHWWNOBWNRZDH-DGCLKSJQSA-N 319.365 -0.534 30 20 DBED C=CCCC(=O)N1CCO[C@H](CNC(=O)Cc2n[nH]c(C)n2)C1 1064955985 OTPTVYPVALZQLK-GFCCVEGCSA-N 321.381 -0.035 30 20 DBED C#CCOCCC(=O)N1CCO[C@@H](CNC(=O)c2ccon2)C1 1065150638 SIGJEJSQMLLFRG-LBPRGKRZSA-N 321.333 -0.328 30 20 DBED C[C@]1(NC(=O)[C@@H]2CCNC2=O)CCN(c2cnc(C#N)cn2)C1 1065312399 NEODTHIIQMIAJM-ABAIWWIYSA-N 314.349 -0.431 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@H](CNC(=O)Cc2ccnn2C)C1 1065556896 KWHOFDROLRECQC-DGCLKSJQSA-N 319.365 -0.534 30 20 DBED CN(C(=O)[C@@H]1CCCO1)[C@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1065566655 TXAIAKVZIYOREQ-SRVKXCTJSA-N 317.349 -0.465 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC[C@H](NC(=O)CNC(N)=O)CC1 1065828849 OFCHCMOHOQTVGG-NEPJUHHUSA-N 324.381 -0.810 30 20 DBED N#Cc1cncc(N2C[C@H]3CN(C(=O)Cc4nc[nH]n4)C[C@H]3C2)n1 1066028085 FDANEZDQYYFDHA-PHIMTYICSA-N 324.348 -0.396 30 20 DBED C[C@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1Nc1nccnc1C#N 1067042773 WKNFZRDCXNASFL-ONGXEEELSA-N 313.325 -0.706 30 20 DBED C=CCCC(=O)N1CC2(C1)CN(C(=O)c1cn(C)nn1)CCO2 1068390687 RYWXABRGLNAJCM-UHFFFAOYSA-N 319.365 -0.165 30 20 DBED C=C(C)CCC(=O)N1CC2(C[C@H](NC(=O)CNC(N)=O)CO2)C1 1068690813 TVBOBHVDLCMGHG-NSHDSACASA-N 324.381 -0.503 30 20 DBED C=CCCC(=O)N[C@H]1COC2(C1)CN(C(=O)c1ncn(C)n1)C2 1068754143 XSWWNKNNWPJFLE-LLVKDONJSA-N 319.365 -0.119 30 20 DBED Cc1cc(C#N)nc(N2CCC[C@@H](NC(=O)C(N)=O)[C@@H]2C)n1 1069404226 IFVLSWYAEQIJPT-GXSJLCMTSA-N 302.338 -0.385 30 20 DBED NC(=O)CC(=O)NCC1(NC(=O)C#CC2CC2)CCOCC1 1070111035 QSEPSRUAUBJCRA-UHFFFAOYSA-N 307.350 -0.943 30 20 DBED C#CCN[C@@H]1CN(C(=O)C2CC(OC)C2)C[C@@H]1n1ccnn1 1070214460 SLKYYZQEYILCCN-PQAZSJQKSA-N 303.366 -0.322 30 20 DBED C=CCOCC(=O)N1CCC[C@@H](NC(=O)C2CN(C(C)=O)C2)C1 1070554267 NQFNLVIYLUUJJV-CQSZACIVSA-N 323.393 -0.226 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2nonc2C)C[C@H]1c1cncn1C 1070725136 UXGIPMZBPXYPMF-VXGBXAGGSA-N 314.349 -0.057 30 20 DBED C#CCOCCC(=O)N1CCC[C@@H](NC(=O)CNC(C)=O)C1 1070729710 XOFQIPWVGPZUJD-CYBMUJFWSA-N 309.366 -0.730 30 20 DBED CC#CCN1CCNC(=O)CCN(C(=O)c2cnns2)CC1 1070941704 AVWSMBNYAOIEJL-UHFFFAOYSA-N 321.406 -0.175 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1C 1071726078 HAZDUEAOIUDKLK-VXGBXAGGSA-N 314.407 -0.202 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1C 1071742087 SFMXTBNSZIGEMS-GHMZBOCLSA-N 318.395 -0.803 30 20 DBED C#CCO[C@@H](C)C(=O)NC1(C)CCN(C(=O)c2cnn[nH]2)CC1 1073143467 QNEWPMKLEWOINK-NSHDSACASA-N 319.365 -0.046 30 20 DBED C=C(C)CCC(=O)N1CCN(C2CN(C(=O)CC(N)=O)C2)CC1 1073576444 JREKTAQHUJMMMC-UHFFFAOYSA-N 322.409 -0.427 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCC1(O)CCN(C(=O)CC)CC1 1074376513 PCSAZNLZBMODSZ-AWEZNQCLSA-N 321.421 -0.036 30 20 DBED C[C@H](C#N)C(=O)N1CCC(O)(CNC(=O)[C@@H]2CCCO2)CC1 1074703748 QMZUNXSDHXELGM-NEPJUHHUSA-N 309.366 -0.205 30 20 DBED COc1c(O)nc(O)nc1C(=O)N1CC[C@H]2CN(CC#N)C[C@H]21 1076457717 OOTDAYIWQIVILQ-DTWKUNHWSA-N 319.321 -0.434 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)C(=O)N2CC[C@H](C)C2)C1 1077970500 TYSHOJSLROMHNQ-MVWJERBFSA-N 315.801 -0.231 30 20 DBED CCN(C(=O)CS(C)(=O)=O)C1CN(C(=O)[C@@H](C)C#N)C1 1079419490 ODAUOIYTTKZDEZ-VIFPVBQESA-N 301.368 -0.750 30 20 DBED C#CCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)[C@H]2COCCO2)C1 1079770829 NCSSSFKVAHOKGC-GXTWGEPZSA-N 324.377 -0.501 30 20 DBED CCN(C(=O)C[C@H]1CCNC1=O)C1CN(C(=O)[C@H](C)C#N)C1 1079897380 VIJSJDOILCXVLP-GHMZBOCLSA-N 306.366 -0.268 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)c2cnnn2CC)C[C@H]1O 1081335069 GWMGLQDGHNOXBJ-WCQYABFASA-N 321.381 -0.187 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)C23CCN(CC2)C3)C[C@H]1O 1081336182 UYZJNARPUYVGRL-ZIAGYGMSSA-N 321.421 -0.016 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1O 1081336439 YJGQYJVGKCTXQD-CMPLNLGQSA-N 307.354 -0.670 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2coc(C)n2)C1 1081427708 IQQVVPCKAYIXMB-YPMHNXCESA-N 323.349 -0.265 30 20 DBED C#CCCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1081671750 PRXYOYYITIBXGY-SSZWKKLZSA-N 320.389 -0.382 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cccnn2)C1 1081688934 YCVLXDAHDOUBKH-YPMHNXCESA-N 320.349 -0.772 30 20 DBED C=CCO[C@@H](C)C(=O)NC[C@@H]1CCCCN1C(=O)CC(N)=O 1081974612 TXHTZPNNUCWROP-RYUDHWBXSA-N 311.382 -0.050 30 20 DBED C[C@@H](C(N)=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1c[nH]c(C#N)c1 1083057204 WZDDBBYHKAQPEN-TVYUQYBPSA-N 317.349 -0.715 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)c2cnn3ccc(C)nc23)C1 1083963360 UXTKROQGUCPHND-KGLIPLIRSA-N 313.361 -0.164 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)c2ccc(C(N)=O)nc2)C1 1084116120 ARTUNOWYPANZAZ-OLZOCXBDSA-N 304.350 -0.469 30 20 DBED CN1CC[C@H](C(=O)NC[C@H]2CC[C@@H](NCC#N)C2)S1(=O)=O 1086825849 JFXQZVYSTYRTIR-QJPTWQEYSA-N 314.411 -0.582 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)Cn3c(O)nnc3O)C[C@@H]2C1 1088183266 YQMWYNRBXVXAGO-MNOVXSKESA-N 305.338 -0.897 30 20 DBED C[C@H]1CC[C@H](NC(=O)CC(N)=O)CN1c1nccnc1C#N 1089128193 VIVHIWDNDVBTPA-UWVGGRQHSA-N 302.338 -0.303 30 20 DBED C#CCCN1C[C@@H]2[C@@H]3CC[C@@H](CN3C(=O)Cn3ncnn3)[C@H]2C1 1089818632 YCIOSFHQWSJBFS-XGUBFFRZSA-N 314.393 -0.135 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cnn(CCOC)c2C)[C@H](O)C1 1090259026 QVRPLKKZSZNHHC-LSDHHAIUSA-N 320.393 -0.364 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2cncc3nc[nH]c23)[C@@H](O)C1 1090276906 RAQKEWPQVDWJRN-PWSUYJOCSA-N 300.322 -0.354 30 20 DBED COCC(=O)N[C@@H]1CN(c2snc(Cl)c2C#N)C[C@H]1O 1090364808 CSCSTGSJYIZSQA-HTQZYQBOSA-N 316.770 -0.020 30 20 DBED CC(=O)CCCC(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1O 1090365278 NAROAQCKALYOPM-CHWSQXEVSA-N 317.349 -0.227 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CCN(CC(=O)N(C)C)C[C@@H]2O)C1 1090553621 PDNPSNCKTNYTAX-OLZOCXBDSA-N 309.410 -0.018 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1C 1090688554 APTYFLQZXRCHBA-NXEZZACHSA-N 302.338 -0.575 30 20 DBED CC#CCN1CC[C@H](NC(=O)C2CCN(C(C)=O)CC2)[C@H](O)C1 1090795840 ZMDDQNZDGWFCIT-JKSUJKDBSA-N 321.421 -0.180 30 20 DBED C=CCCC(=O)N[C@@H]1CN(c2ccc3nnnn3n2)C[C@@H]1O 1091075001 NYBYHARWEGHBHW-ZJUUUORDSA-N 303.326 -0.849 30 20 DBED N#Cc1cncc(NCCNC(=O)CNC(=O)c2ccco2)n1 1093613682 YINSMFUMZQMLKZ-UHFFFAOYSA-N 314.305 -0.101 30 20 DBED CC(=O)N1CCC(C(=O)NCCN=c2cc[nH]c(C#N)n2)CC1 1093629568 YVYWBYNLZNTSMY-UHFFFAOYSA-N 316.365 -0.443 30 20 DBED N#Cc1cncc(NCCNC(=O)CCN2CCOCC2)n1 1093733128 LZNSDQRPEKAAAX-UHFFFAOYSA-N 304.354 -0.401 30 20 DBED CC(=O)N1CCC[C@@H]1C(=O)NCCCN=c1cc[nH]c(C#N)n1 1094465637 QCEADFXRPSJCRY-GFCCVEGCSA-N 316.365 -0.301 30 20 DBED N#CCN1CC(N2C[C@@H](NC(=O)C3CCC(O)CC3)CC2=O)C1 1094732171 ZDFCMRFHFMKITR-LXVYMNJGSA-N 320.393 -0.538 30 20 DBED CC(=O)N(C)CC(=O)N1CC[C@@H](N(C)c2nccnc2C#N)C1 1095108599 HCDLOMQVQCAUFQ-GFCCVEGCSA-N 316.365 -0.136 30 20 DBED CNC(=O)NCC(=O)N[C@@H]1CCN(c2ncccc2C#N)C1 1096492774 BXIBBZUMPRJTGF-LLVKDONJSA-N 302.338 -0.423 30 20 DBED C[C@@H](CNC(=O)c1ccc(C#N)[nH]1)Nc1nccn2nnnc12 1097758533 HDOIPGYANOPMKH-QMMMGPOBSA-N 311.309 -0.051 30 20 DBED Cc1nc(CC(=O)NC[C@@H](C)Nc2ccc(C#N)nn2)n[nH]1 1097806849 XBHZCZOMIXUSKM-MRVPVSSYSA-N 300.326 -0.066 30 20 DBED C=CCOCC(=O)N1CC[C@@H](n2cc(CNC[C@@H](C)O)nn2)C1 1098637131 IBWGSJCNTUUKET-TZMCWYRMSA-N 323.397 -0.276 30 20 DBED C=C(C)CCC(=O)N1CC[C@@H](n2cc(CNCC(N)=O)nn2)C1 1098680404 GIXSYOSVFFENNJ-CYBMUJFWSA-N 320.397 -0.017 30 20 DBED N#CCNC(=O)CN1CC[C@H](NC(=O)C2=CCCC2)[C@@H](O)C1 1099780721 LXQVJBJODARDEV-STQMWFEESA-N 306.366 -0.712 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CN(C)C(=O)C2CC2)[C@H](O)C1 1099864933 VUZLLVDJYKJNQO-ZIAGYGMSSA-N 307.394 -0.571 30 20 DBED CC#CCN1CC[C@@H](NC(=O)C(C)(C)CNC(C)=O)[C@@H](O)C1 1100033923 NANJJOZDCWWZHN-KGLIPLIRSA-N 309.410 -0.277 30 20 DBED C=CCN1CC[C@@H](NC(=O)CS(=O)(=O)C(C)(C)C)[C@H](O)C1 1100077216 YYSIJPHQDMVXEQ-VXGBXAGGSA-N 318.439 -0.063 30 20 DBED C#CCN1CC[C@@H](NC(=O)CCCc2nc(C)no2)[C@@H](O)C1 1100112992 YAJHNFMOGLWFRJ-OLZOCXBDSA-N 306.366 -0.115 30 20 DBED CCCCOCC(=O)NCC1CC(NCC(=O)NCC#N)C1 1100205952 YIJILZWHWRHCJZ-UHFFFAOYSA-N 310.398 -0.073 30 20 DBED CCc1nc(C#N)cc(N(C)CCNC(=O)[C@@H](C)CC(N)=O)n1 1100268915 KTCXVLQGURURPN-JTQLQIEISA-N 318.381 -0.025 30 20 DBED CCCN(CCNC(=O)CCNC(N)=O)c1ccc(C#N)nn1 1101145064 DJTXQYMOROGAFI-UHFFFAOYSA-N 319.369 -0.261 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H]1CN([C@H](C)COC)C[C@H]1C 1101900097 IIGYNVLEMKYDQJ-MGPQQGTHSA-N 309.410 -0.155 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(CC(=O)NCC)C[C@H]1C 1101962155 XDWOJODVFBJLJQ-ZIAGYGMSSA-N 309.410 -0.154 30 20 DBED CC[C@@H](CNC(=O)[C@H]1COC(=O)N1)Nc1cnc(C#N)cn1 1103053204 PDBUTKPNPYAGBA-WCBMZHEXSA-N 304.310 -0.237 30 20 DBED N#CCNCc1cn(C2CN(C(=O)C3=CCOCC3)C2)nn1 1105217555 CSDILYLXAVKSQU-UHFFFAOYSA-N 302.338 -0.379 30 20 DBED CC(C)[C@@H](CNC(=O)Cc1nc[nH]n1)N=c1cc[nH]c(C#N)n1 1105222184 YNYULUXUTCCQAH-SNVBAGLBSA-N 314.353 -0.316 30 20 DBED CC(C)[C@H](CNC(=O)[C@H]1CNC(=O)N1)Nc1cncc(C#N)n1 1105277704 JRAGDCXHOVZEQT-WDEREUQCSA-N 317.353 -0.418 30 20 DBED N#CCNCc1cn(C2CN(C(=O)CCc3ccon3)C2)nn1 1105283331 KGQQCACJKIXKKV-UHFFFAOYSA-N 315.337 -0.105 30 20 DBED CN(CCN(C)c1ccc(C#N)nn1)C(=O)C1(C(N)=O)CC1 1105542927 BYFFRIVYYWDWFP-UHFFFAOYSA-N 302.338 -0.492 30 20 DBED CC(C)(C)C(=O)C(=O)NC[C@H](O)CNc1cncc(C#N)n1 1105765588 CGTOTDLJJODZJA-SNVBAGLBSA-N 305.338 -0.148 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)Cc2cncnc2)cn1 1105805987 OAICOHPUPBXTAL-CQSZACIVSA-N 312.333 -0.125 30 20 DBED CC(C)C#CC(=O)NC[C@H](O)CNc1ccc2nnnn2n1 1105811407 AQUBPPUZCMWFSI-SNVBAGLBSA-N 303.326 -0.932 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)C[C@@H]2COC(=O)C2)nn1 1105819915 NUQSPAINQYISJJ-ONGXEEELSA-N 319.321 -0.810 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)CN2CCOCC2)cn1 1105828603 HMKCJASIYWBSKL-CQSZACIVSA-N 319.365 -0.826 30 20 DBED C[C@@H]1CN(C(=O)[C@@H]2CCc3nnnn3CC2)C[C@H]1CNCC#N 1106682608 PXJCMXLRRZAXGH-JHJVBQTASA-N 317.397 -0.167 30 20 DBED C#CCO[C@H](C)C(=O)NC/C=C/CNc1ccc2nnnn2n1 1107346232 NGGXYOPOINYWLQ-SGUJLRQBSA-N 315.337 -0.358 30 20 DBED N#Cc1c[nH]ccc1=NC/C=C\CNC(=O)[C@H]1CCCNC1=O 1107389212 HLHHFXCBJKBIAM-UIIMQBOASA-N 313.361 -0.014 30 20 DBED CNC(=O)NCC(=O)NC/C=C/CN=c1cc(C)[nH]cc1C#N 1107572293 WWBNBBZBHJPFTI-ONEGZZNKSA-N 316.365 -0.303 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)COCc2ccnn2C)C1 1108018664 MODNYYQTYFYNCO-INIZCTEOSA-N 320.393 -0.223 30 20 DBED C[C@H](CNc1cnc(C#N)cn1)NC(=O)c1nnc(O)nc1O 1108208543 LTJIJJCLURIHOU-ZCFIWIBFSA-N 316.281 -0.825 30 20 DBED C=CCNC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CNC(N)=O 1108906403 GPTMSPRNNPIHSR-USZNOCQGSA-N 323.397 -0.933 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H](C)CN(C)c1ccc2nnnn2n1 1108922586 AZANPLAPRRHRJK-IINYFYTJSA-N 319.369 -0.213 30 20 DBED C[C@H]1C[C@H](N=c2cc[nH]cc2C#N)CCN1C(=O)CNC(N)=O 1110506807 CBVRTASBIYILFM-CMPLNLGQSA-N 316.365 -0.165 30 20 DBED COC[C@H](C)C(=O)NC[C@@]1(O)CCN(c2ccc(C#N)nn2)C1 1111043488 GLLGPKNNQFYWSV-NHYWBVRUSA-N 319.365 -0.312 30 20 DBED C#CCOCCC(=O)NC[C@@]1(O)CCN(c2ccnc(C)n2)C1 1111098033 KQXJNDMSGMWPFY-INIZCTEOSA-N 318.377 -0.118 30 20 DBED C=CCN1C[C@@H]2CCC[C@]2(NC(=O)CS(=O)(=O)NC)C1 1111988963 VPVXQCIQVIFRLK-AAEUAGOBSA-N 301.412 -0.308 30 20 DBED CNC(=O)NCCC(=O)N[C@@H](C)[C@H](C)Nc1ccc(C#N)nn1 1113002224 TXCYLKUGOKJOOC-UWVGGRQHSA-N 319.369 -0.028 30 20 DBED C[C@@H](NC(=O)C1CS(=O)(=O)C1)[C@@H](C)Nc1ccc(C#N)nn1 1113184237 YLCHINZHBQTJMR-RKDXNWHRSA-N 323.378 -0.302 30 20 DBED COCC#CCN1CCN(C(=O)[C@@H]2CCCN2C(C)=O)CC1 1113560057 HNNMWKAOIWIXLL-HNNXBMFYSA-N 307.394 -0.209 30 20 DBED COCC#CCN1CCN(C(=O)[C@@H]2CCCC(=O)N2C)CC1 1113592249 CXMHVQPFGGPDNJ-AWEZNQCLSA-N 307.394 -0.209 30 20 DBED C[C@@H](CNC(=O)[C@]1(C)CNC(=O)C1)N(C)c1cncc(C#N)n1 1113783233 CITZCBOSSVLWKE-BONVTDFDSA-N 316.365 -0.185 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)C(=O)C(C)(C)C)[C@H]2C1 1114071590 DQNNGQCQNXYVQL-SRVKXCTJSA-N 319.405 -0.214 30 20 DBED C#CCOCCC(=O)NC1[C@H]2CN(CC(=O)N(C)C3CC3)C[C@H]12 1114262745 IXZZHACYPDRTDV-KBPBESRZSA-N 319.405 -0.307 30 20 DBED C=CCOCCN1C[C@H]2C(NC(=O)C[C@@H](C)NC(N)=O)[C@@H]2C1 1114277686 GVVQMGMWFLQVEC-IJLUTSLNSA-N 310.398 -0.318 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)Cc3cnc[nH]3)[C@H]2C1 1114888627 KZNVVEYDIUREBA-DRZSPHRISA-N 315.377 -0.864 30 20 DBED N#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)Cc3ccco3)[C@H]2C1 1114993808 BBYTZJRCAMDFIX-JYAVWHMHSA-N 302.334 -0.492 30 20 DBED C=C(C)CN1C[C@H]2C(NC(=O)CNC(=O)Cn3cncn3)[C@@H]2C1 1115288361 QJHUYPKPGVGDHP-VXGBXAGGSA-N 318.381 -0.983 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)N[C@H]1[C@@H]2CN(C[C@@H](C)O)C[C@@H]21 1115301752 GQXWLXWWOSOIHM-NDBYEHHHSA-N 324.425 -0.323 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@H]1[C@@H]2CN(Cc3nnnn3C)C[C@@H]21 1115332492 OMBHVKDQGQTNKY-MEWQQHAOSA-N 306.370 -0.652 30 20 DBED C#C[C@@H](C)NC(=O)C(=O)Nc1ccc(OC)c(OCC(N)=O)c1 1116712060 NLCMOPFXOQVRME-SECBINFHSA-N 319.317 -0.364 30 20 DBED CCN1CCCC[C@H]1CNC(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1118152553 NMMULFDWFXODGC-BBRMVZONSA-N 322.409 -0.146 30 20 DBED C#CCNC(=O)CC(=O)NC1CC2(CC(NCCOC)C2)C1 1120981107 MYORYOAOOXVJKO-UHFFFAOYSA-N 307.394 -0.211 30 20 DBED N#Cc1c[nH]ccc1=N[C@H](CO)CNC(=O)c1ccnc(O)c1 1121310245 GMIGJAIFFBQPJS-LBPRGKRZSA-N 313.317 -0.321 30 20 DBED N#Cc1c[nH]ccc1=N[C@H](CO)CNC(=O)CCc1nc[nH]n1 1121411619 FNNALCTWIGMILL-NSHDSACASA-N 315.337 -0.985 30 20 DBED COCCO[C@@H](C)C(=O)NC[C@H](CO)Nc1ncccc1C#N 1122014510 XXZQGDNPCNINDX-WCQYABFASA-N 322.365 -0.106 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CC[C@H](CN=c2cc[nH]c(C#N)n2)C1 1123710008 GUVVIAQXHYWDNJ-NWDGAFQWSA-N 316.365 -0.397 30 20 DBED COCCOCC(=O)N(C)C[C@@H](O)CNc1ccc(C#N)nn1 1124190481 HMGMTCFJWMYWDS-LBPRGKRZSA-N 323.353 -0.758 30 20 DBED C=CCOCC(=O)N(C)C[C@H](O)CNc1nccnc1C#N 1124196445 MANBAURXYNAWAL-LLVKDONJSA-N 305.338 -0.218 30 20 DBED C[C@@H](C#N)C(=O)NCCNCc1nnnn1C1CCOCC1 1124897763 VOJNVONZAZSQFO-JTQLQIEISA-N 307.358 -0.610 30 20 DBED COc1ccnc(N(C)C[C@H](O)CN(C)C(=O)[C@@H](C)C#N)n1 1124988234 HHEOKJOACOSZNM-WDEREUQCSA-N 307.354 -0.100 30 20 DBED C=C(Br)CNCCNC(=O)CCNC(=O)NC 1126689531 ZJPNQZVOUNDQTN-UHFFFAOYSA-N 307.192 -0.080 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)c2cc(OC)ncn2)C1=O 1127464432 VDEXFNFQLKXNEN-NSHDSACASA-N 319.365 -0.409 30 20 DBED N#CCNCc1nnc2n1CC[C@H](NC(=O)[C@H]1CCOC1)CC2 1127958521 FPCGFIKVFOLFLN-NWDGAFQWSA-N 318.381 -0.251 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)COCC(F)F)C1 1129133936 SSYFFKHPTOODBG-MNOVXSKESA-N 313.308 -0.466 30 20 DBED C#CCO[C@@H](C)C(=O)NCc1nc([C@@H]2COCCN2CC)n[nH]1 1130846083 RDFWZDPIHNGDQN-RYUDHWBXSA-N 321.381 -0.148 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@H]1COc2ccccc2C1 1131047001 LMFKMZGYOCIMCW-CQSZACIVSA-N 315.373 -0.307 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC(=O)NCCN(CC=C)CC1 1131364309 LHMAKFZPVUQZEK-AWEZNQCLSA-N 307.394 -0.139 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)c2[nH]nnc2C)CC[C@H]1C 1132214025 AOEZGXKSIWONDP-PWSUYJOCSA-N 320.397 -0.002 30 20 DBED C[C@@H]1CCN(C(=O)CCn2ncn(C)c2=O)C[C@H]1CNCC#N 1132997796 KKEVSEYCYWFNRP-CHWSQXEVSA-N 320.397 -0.430 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)Cc1cc(C)[nH]n1 1134056440 PUCQPAFXSQTKQW-NWDGAFQWSA-N 319.409 -0.117 30 20 DBED CNC(=O)NC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)C#CC(C)C 1134344936 NMEQBWXHMBATRR-NWDGAFQWSA-N 310.398 -0.026 30 20 DBED C#CCCN1CCCO[C@@H](CNC(=O)Cn2cnnc2O)C1 1149589955 VTNGZYFUGQEPBJ-LBPRGKRZSA-N 307.354 -0.786 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)c1cc(C)[nH]n1 1152120255 XWPFMBMTRBCJOM-LLVKDONJSA-N 306.370 -0.202 30 20 DBED C#CCN1CCC(C(=O)NCCN[C@H]2CCN(CC)C2=O)CC1 1152329879 CWHOSWFVWBTECW-HNNXBMFYSA-N 320.437 -0.342 30 20 DBED N#Cc1ccc(CNCCNC(=O)C[C@H]2CC(=O)NC2=O)s1 1153882414 DXZQYYXJNHCLDA-VIFPVBQESA-N 320.374 -0.122 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)c1[nH]c(O)nc1C 1153914823 WFTDVKNXBBHWIE-SECBINFHSA-N 322.369 -0.496 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)C(C)(C)NC(C)=O 1155845344 NGYITXYTHQNUGO-GFCCVEGCSA-N 324.425 -0.523 30 20 DBED C#CCNC(=O)CC(=O)NCCCNCc1cc(OC)no1 1156847727 GGVSABPKPKIQNO-UHFFFAOYSA-N 308.338 -0.581 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)[C@H](C)c1ccnn1C 1158288192 RFNFXYOIRHNLTQ-CHWSQXEVSA-N 319.409 -0.243 30 20 DBED Cc1nccc(CCC(=O)NCCCNCC(=O)NCC#N)n1 1163204092 OLFILVXUSPDPBV-UHFFFAOYSA-N 318.381 -0.547 30 20 DBED C=C[C@](C)(CCOC)C(=O)NCCCNCC(=O)NCC#N 1163339344 NHEKSZHBTALUQN-OAHLLOKOSA-N 310.398 -0.049 30 20 DBED C=CCCn1cc(C(=O)NCCCNCC(=O)NC2CC2)nn1 1167992444 XAGNDNMWHSXORS-UHFFFAOYSA-N 320.397 -0.158 30 20 DBED C#CCNC(=O)CNCCCC[C@@H](C)NC(=O)C(C)(C)C(N)=O 1171367619 OKDQMFUYMQTCLJ-GFCCVEGCSA-N 324.425 -0.488 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2COCCN2C)[C@H]1C 1178488899 LQFTUJXQEBWFQX-IHRRRGAJSA-N 324.425 -0.802 30 20 DBED C[C@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)c1ncccc1O 1178530145 UGJOPJQKHZOCEW-QWRGUYRKSA-N 317.349 -0.380 30 20 DBED C#CCCN[C@H]1CCN(C(=O)[C@@H](C)NS(C)(=O)=O)[C@H]1C 1179613566 XNZQVRZDQDHCJC-WOPDTQHZSA-N 301.412 -0.474 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)CC(=O)N(C)C)[C@H]1C 1179699438 XBIPFXXSCAJULT-AGIUHOORSA-N 324.425 -0.266 30 20 DBED C=CCNC(=O)CNCCCCCCNC(=O)c1nc[nH]n1 1179851005 QQPNUEOTCZYALP-UHFFFAOYSA-N 308.386 -0.013 30 20 DBED C=CCCO[C@@H](C)C(=O)N1CC[C@@H](NCc2nnn(C)n2)C1 1181476384 PGBKLGIRKYGMEI-NWDGAFQWSA-N 308.386 -0.118 30 20 DBED COCCOC[C@@H](O)CN[C@@H]1CCN(C(=O)C#CC(C)C)C1 1182423216 WLXUIAYJUBJWMA-CABCVRRESA-N 312.410 -0.140 30 20 DBED C[C@H]1CN(C(=O)CCCS(N)(=O)=O)CC[C@H]1CNCC#N 1185041682 VACJDMCQMSKBLI-RYUDHWBXSA-N 316.427 -0.347 30 20 DBED C=CCCn1cc(C(=O)N2CC[C@@H](NCCOCCO)C2)nn1 1186222001 SXAUSTGHTDRJSG-CYBMUJFWSA-N 323.397 -0.333 30 20 DBED C#CCNC[C@H]1CN(C(=O)[C@@H](C)NC(C)=O)CC12CCOCC2 1186235887 FKPWKRPVWPRLNV-HIFRSBDPSA-N 321.421 -0.011 30 20 DBED CCN(CCC#N)C(=O)CN[C@@H]1CCN(C(=O)c2nc[nH]n2)C1 1186452494 QIZGHTRYULAVFL-LLVKDONJSA-N 319.369 -0.629 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)C2(C(=O)N(C)C)CC2)C1 1186994330 IIFMUXCWRBOEKB-CYBMUJFWSA-N 307.394 -0.305 30 20 DBED CCCNC(=O)NC(=O)CN(C)[C@@H]1CCN(C(=O)[C@H](C)C#N)C1 1189389360 JIOVKSZKYNNSRP-VXGBXAGGSA-N 323.397 -0.085 30 20 DBED C=CCNC(=O)[C@H](C)N(C)[C@@H]1CCN(C(=O)C(C)(C)C(N)=O)C1 1190776209 NGNVCAYWWOXWOR-NWDGAFQWSA-N 324.425 -0.279 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2c(C)cnn2C)C1 1191789063 BWYXWBPRTFNRSG-ZDUSSCGKSA-N 317.393 -0.376 30 20 DBED CC(C)c1nnc(CN2C[C@@H](O)[C@H](NC(=O)[C@@H](C)C#N)C2)n1C 1191853513 DFJZLXILNJQLIN-QJPTWQEYSA-N 320.397 -0.241 30 20 DBED CN(CC(=O)N[C@@H]1CN(CC#N)C[C@H]1O)C(=O)c1ccccc1 1195807781 KSFJDMIGDKCNHH-ZIAGYGMSSA-N 316.361 -0.557 30 20 DBED C[C@@H]1OCC[C@@H]1C(=O)N1CCCN(CC(=O)NCC#N)CC1 1197554512 JBGBCRKBWYPNKT-STQMWFEESA-N 308.382 -0.415 30 20 DBED CCN(CCC#N)C(=O)CN1C[C@@H](O)[C@H](NC(=O)C(C)(C)C)C1 1198020945 UHFBWKURYFYWTG-CHWSQXEVSA-N 324.425 -0.044 30 20 DBED C[C@H](NC(=O)c1ccco1)C(=O)N[C@@H]1CN(CC#N)C[C@H]1O 1198848709 SNYUHCWJAMFONZ-HBNTYKKESA-N 306.322 -0.917 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)[C@H]2C[C@H]2OCC)CC1 1199484941 IONIXCDLPQGACE-UONOGXRCSA-N 307.394 -0.259 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CCN(C(=O)c2cnns2)CC1 1199504132 PCMYOGZMKKERKL-SNVBAGLBSA-N 321.406 -0.130 30 20 DBED COCC#CCNC1CCN(C(=O)c2nccnc2N)CC1 1199878585 UZHGXJMCOIHYGR-UHFFFAOYSA-N 303.366 -0.097 30 20 DBED C#CCCNC[C@H]1CN(C(=O)[C@@H]2CCC(=O)N2C)CCCO1 1201186639 KJAXWBWHQCOYER-KBPBESRZSA-N 307.394 -0.162 30 20 DBED COCC#CCNC1CCN(C(=O)[C@]2(C)CNC(=O)C2)CC1 1201750891 GIQMEJLCWRGHGR-INIZCTEOSA-N 307.394 -0.257 30 20 DBED C#CCNC1CCN(C(=O)[C@@H](NC(=O)COC)C(C)C)CC1 1202820747 ZRQJSZTZFMUBIB-HNNXBMFYSA-N 309.410 -0.013 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)c2cocn2)[C@H](C)C1 1206558887 IHSUHNQUIJEBCM-IJLUTSLNSA-N 304.350 -0.137 30 20 DBED CCN(CCC#N)C(=O)CN[C@@H]1CCCN(C(=O)COC)C1 1206980924 SSWKYUDSBCHNHF-CYBMUJFWSA-N 310.398 -0.024 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)C2=COCCO2)C1 1207143416 LTCSEKRVSQTUNG-GFCCVEGCSA-N 307.350 -0.795 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)C[C@H]2COC(=O)C2)C1 1207813274 JFUOWMOMUXCSLD-OLZOCXBDSA-N 323.393 -0.178 30 20 DBED C=CCN1C[C@@H](NC(=O)CCn2cc[nH]c(=O)c2=O)[C@H](C)C1 1209515203 SJENNGBXOIXKPN-VXGBXAGGSA-N 306.366 -0.451 30 20 DBED COCC#CCN1C[C@@H](NC(=O)C2=CCOCC2)[C@H](OC)C1 1212156300 HAFHUSXIHRIJPN-HUUCEWRRSA-N 308.378 -0.202 30 20 DBED CCOCCNC(=O)CN[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1C 1214337888 FCOJOQDPLOJVIH-JHJVBQTASA-N 310.398 -0.265 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C 1214847892 XACNOXOCBLVIDE-ZIAGYGMSSA-N 320.437 -0.343 30 20 DBED Cc1cc(C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@@H]2O)c(C)[nH]1 1220427431 HBXXCCMSSYZPPV-OLZOCXBDSA-N 319.365 -0.954 30 20 DBED C=CCNC(=O)CN1CC[C@@H]2CCN(C(=O)CNC(C)=O)C[C@@H]21 1222201348 MUFAVVCUKYTJLS-KGLIPLIRSA-N 322.409 -0.653 30 20 DBED CNC(=O)NC(=O)CN1CCC(CNC(=O)[C@@H](C)C#N)CC1 1222642232 ZYSWPHWJOBHRQY-JTQLQIEISA-N 309.370 -0.570 30 20 DBED C=CCNC(=O)CN(C)CCCNC(=O)[C@H]1C[C@H]1C(=O)OC 1235505765 MCTKYDFBTCLIAY-NWDGAFQWSA-N 311.382 -0.464 30 20 DBED CCn1nncc1C(=O)N1CCC[C@@H]1CNCC(=O)NCC#N 1267955392 UDFRYKCMJVNEDX-LLVKDONJSA-N 319.369 -0.868 30 20 DBED C#CCOCCNC(=O)C(=O)N(C)C1CCC(NC(C)=O)CC1 1323259017 FKGCMCAPYQFUKQ-UHFFFAOYSA-N 323.393 -0.342 30 20 DBED C#CCOCCNC(=O)C(=O)N[C@@H]1CCC[C@@H](C(=O)N(C)C)C1 1323259524 AJKOSWCDTBCVRU-CHWSQXEVSA-N 323.393 -0.484 30 20 DBED CN1CC[C@H](N(C)C(=O)C(=O)Nc2ccn(CCC#N)n2)C1=O 1323760640 FLAPKXYYOZZHQW-JTQLQIEISA-N 318.337 -0.576 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)N2CC[C@H](N3CCCC3)C2)C1 1326533944 UHQOYUOROAYBPB-BBRMVZONSA-N 320.393 -0.440 30 20 DBED C=CCN(C(=O)C(=O)NCc1nnnn1CC1CC1)C1CC1 1329849316 NJODDMZCCMHMJN-UHFFFAOYSA-N 304.354 -0.124 30 20 DBED C=CCOCCNC(=O)C(=O)NCc1nnnn1CC1CC1 1330187898 GTGKNDDIEMUZMY-UHFFFAOYSA-N 308.342 -0.982 30 20 DBED CCOC(=O)C1([S@@](C)=O)CCN(C(=O)C#CCOC)CC1 1330849909 MIUWBTGQSWJZML-OAQYLSRUSA-N 315.391 -0.061 30 20 DBED N#CCNC(=O)CNC(=O)Cc1cc(F)cc2c1OCOC2 1341881853 HHNCRVQRNFQYEB-UHFFFAOYSA-N 307.281 -0.009 30 20 DBED CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)C(=O)N1CC[C@](F)(C#N)C1 1343053703 REDMFVVCNAAOJM-BFVZDQMLSA-N 310.329 -0.519 30 20 DBED N#C[C@@H](C(=O)c1nccs1)C(=O)N1CCS(=O)(=O)CC1 1343471500 WTNMVRORUQVKGS-QMMMGPOBSA-N 313.360 -0.277 30 20 DBED C=CCn1cc(CNC(=O)C(=O)NC[C@@H]2CCSC2)nn1 1349030361 KVGQZSOJROKLKG-JTQLQIEISA-N 309.395 -0.050 30 20 DBED CC(C)C[C@H](CN)NC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1349802654 JTPVGHMODOYMGY-OCCSQVGLSA-N 321.425 -0.325 30 20 DBED C[C@@H](O)C[C@H]1CCCN1C(=O)CCn1cc(C#N)c(O)nc1=O 1362341812 XGDHOLBOIKINNI-ZYHUDNBSSA-N 320.349 -0.027 30 20 DBED N#Cc1cn(CC(=O)NCC2(CO)CCCC2)c(=O)nc1O 1363256964 USZCPVKKWUHISK-UHFFFAOYSA-N 306.322 -0.511 30 20 DBED N#CC1(CNC(=O)NC[C@@H]2CC(C(N)=O)=NO2)CCOCC1 1364623502 IZQKLWSMHCCCLZ-VIFPVBQESA-N 309.326 -0.764 30 20 DBED CCN(CCC#N)C(=O)CN[C@H](C)CNC(=O)c1cc[nH]n1 1371110735 WYDPUTRHOHSNGX-LLVKDONJSA-N 306.370 -0.120 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CCN(C(=O)c2cnc(O)n2C)C1 1373168729 KHNSAMAAOBIUCW-NXEZZACHSA-N 305.338 -0.136 30 20 DBED Cc1cc(C)n(CC(=O)N[C@@H](C)CNC(=O)[C@H](C)C#N)c(=O)n1 1377980549 CACCDJZKQTZNAK-KOLCDFICSA-N 319.365 -0.359 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)c2ccncc2)C1 1380107205 MUBSELDVFZRMKV-ABAIWWIYSA-N 302.334 -0.066 30 20 DBED C=C(Cl)CNC1(CNC(=O)Cn2nc(C)n(C)c2=O)CC1 1380164558 OVBDKOWJYWGFOU-UHFFFAOYSA-N 313.789 -0.119 30 20 DBED Cc1noc(CCC(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)n1 1384820272 MMJBMQSBADMMBI-GDPRMGEGSA-N 321.337 -0.842 30 20 DBED C[C@@H](C#N)C(=O)N1CC(CNC(=O)CCN2CCCC2=O)C1 1389716213 QFVGPGYPLRGOOQ-NSHDSACASA-N 306.366 -0.267 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)CCc2cncs2)C1 1396389235 NIYYDQBTTLTKNJ-YUSALJHKSA-N 322.390 -0.077 30 20 DBED C[C@@H](C#N)C(=O)NC1CCN(C(=O)c2cnn(C)c2N)CC1 1407278291 PJAMLXIDTASIKH-VIFPVBQESA-N 304.354 -0.117 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C[C@H](O)Cc2ccccc2)C1 1407398455 NXEBYGAEDRZQOK-UKRRQHHQSA-N 317.389 -0.087 30 20 DBED COc1cc(OC)nc(C(=O)N[C@H](C)CNC(=O)[C@@H](C)C#N)n1 1408303069 CHYBSNPSWIDRBB-DTWKUNHWSA-N 321.337 -0.112 30 20 DBED CCN1CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)C[C@H]1C 1411934421 RAUAVPHCBICUSC-SNVBAGLBSA-N 305.338 -0.627 30 20 DBED C[C@@H](O)[C@@H]1CCCCN1C(=O)Cn1cc(C#N)c(O)nc1=O 1411968832 USOBKIRDOUOCIX-KOLCDFICSA-N 306.322 -0.418 30 20 DBED CCc1nnc(NC(=O)Cn2cc(C#N)c(O)nc2=O)s1 1412456897 OHHZOTLKRQFMQA-UHFFFAOYSA-N 306.307 -0.127 30 20 DBED Cn1nnc(NC(=O)N2CCN(c3ccc(C#N)nc3)CC2)n1 1414495402 SGDAUNAYOGOAKJ-UHFFFAOYSA-N 313.325 -0.169 30 20 DBED Cc1cc(NC(=O)CN2CC(NC(=O)[C@H](C)C#N)C2)n(C)n1 1421025573 NLABUYAQQOAUGB-SECBINFHSA-N 304.354 -0.373 30 20 DBED CCN(C(=O)[C@@H](C)C#N)[C@H](C)CNC(=O)CCNC(=O)NC 1426334666 KNZYCDJDJYJINL-WDEREUQCSA-N 311.386 -0.182 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCNC(=O)c1cccn2c(O)nnc12 1429392665 KXDMJTQYISYHON-VIFPVBQESA-N 316.321 -0.217 30 20 DBED C[C@H](C#N)C(=O)NCCN1CCN(C(=O)[C@@H]2CCOC2)CC1 1429798469 NJYPHRGYPLEKHR-CHWSQXEVSA-N 308.382 -0.557 30 20 DBED Cc1cc(C#N)nc(N(C)CCNC(=O)C[C@@H]2CCC(=O)N2)n1 1439246775 MHJMZGPOFGPQTR-NSHDSACASA-N 316.365 -0.122 30 20 DBED CN(C)[C@H](CNC(=O)CCn1cc(C#N)c(O)nc1=O)C1CC1 1441843701 QSLOFGLWAMUCKF-GFCCVEGCSA-N 319.365 -0.333 30 20 DBED CN(C(=O)[C@H]1CCCN1C)[C@H](CNCC(=O)NCC#N)C1CC1 1485819742 JJCGAYSHLKZWQN-ZIAGYGMSSA-N 321.425 -0.453 30 20 DBED C=C(Cl)CN1CC(O)(CNC(=O)C[C@@H]2CCC(=O)NC2)C1 1500850971 MDZZOINFJBPMED-NSHDSACASA-N 315.801 -0.182 30 20 DBED C#CCNC(=O)CNC[C@@H](NC(=O)[C@@H]1CCCCN1C)C1CC1 1569307503 JICIGRBSGYGRLZ-CABCVRRESA-N 320.437 -0.296 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCNc1ccc(-c2nn[nH]n2)nn1 1573309776 OHTFZSCWSIRIOT-CYBMUJFWSA-N 318.341 -0.488 30 20 DBED CCS(=O)(=O)C[C@H](C)Nc1cnc(-c2nn[nH]n2)c(C#N)n1 1578411291 KNCAFBLEWLRJKJ-ZETCQYMHSA-N 322.354 -0.237 30 20 DBED C#CCCCC(=O)NC1(CCO)CN(C(=O)[C@@H]2C[C@H]2C(=O)O)C1 1588435070 BHFJROMCJMMPLT-VXGBXAGGSA-N 322.361 -0.410 30 20 DBED C=CCOCC(=O)N[C@H](C)CNc1ccc(-c2nn[nH]n2)nn1 1588675506 HPPIOZASBIMHOU-SECBINFHSA-N 318.341 -0.224 30 20 DBED C[C@@H](CNC(=O)NCCN/C(O)=C1/N=CC=CC1=O)C(=O)O 1589055096 ODBHFROGIHHKLH-IZXMIOPHSA-N 310.310 -0.467 30 20 DBED CN(CCNC(=O)C#CC1CC1)c1cncc(-c2nn[nH]n2)n1 1591095939 QXHIKZZVIWRWOU-UHFFFAOYSA-N 312.337 -0.378 30 20 DBED CN(CC(C)(C)C#N)C(=O)C(=O)Nc1ccn(CC(=O)O)n1 1593724041 HTIBMDRRERZQSY-UHFFFAOYSA-N 307.310 -0.086 30 20 DBED N#CCNC(=O)CNS(=O)(=O)c1ccc(/C=C\C(=O)O)cc1 1601074612 IXVFBTFPEVFKOZ-UTCJRWHESA-N 323.330 -0.298 30 20 DBED C=CC[C@@H](CO)NC(=O)N[C@H]1CCCCN(CC(=O)O)C1=O 1602718465 NHUXFBTVAJHYON-QWRGUYRKSA-N 313.354 -0.312 30 20 DBED C=C(CCN(C)C)C(=O)NC1(C(=O)O)CCS(=O)(=O)CC1 1602788117 ZQPANOHWJSPJGX-UHFFFAOYSA-N 318.395 -0.358 30 20 DBED O=C(O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1C(=O)C#CC1CC1 1608812950 CQCPZRQZJHTJCG-UWVGGRQHSA-N 305.290 -0.994 30 20 DBED COCCn1cc(CNC(=O)NCCn2cnc(C#N)n2)cn1 1645783776 UYNCTXDGOWPLFU-UHFFFAOYSA-N 318.341 -0.508 30 20 DBED N#Cc1ncn(CCNC(=O)c2cccc(OCC(N)=O)c2)n1 1647194302 POLXJLIPAAFHGB-UHFFFAOYSA-N 314.305 -0.556 30 20 DBED N#CCNC(=O)CN[C@@H]1CCC[C@@H](NC(=O)Cn2cccn2)C1 1752966224 UKMLIHMJSUHWRY-CHWSQXEVSA-N 318.381 -0.460 30 20 DBED C#CCNC(=O)CNC[C@@H](C)CNC(=O)[C@H](F)C(F)(F)F 1753614205 JOPCPPPAYYNOST-SCZZXKLOSA-N 311.279 -0.022 30 20 DBED C=CCCN1CCO[C@@H](CNC(=O)CN2CCOCC2=O)C1 1753654669 AKBOMLRGQBVGGY-ZDUSSCGKSA-N 311.382 -0.762 30 20 DBED C=C(C)CNC[C@H](C)N(C)C(=O)CNS(=O)(=O)N(C)C 1753714930 MDNMRQXUNPVACI-NSHDSACASA-N 306.432 -0.605 30 20 DBED C#CCNC[C@@H]1CCC[C@H]1NC(=O)CN(C)S(=O)(=O)CC 1753899599 MLXVBDFRIQVCQM-QWHCGFSZSA-N 315.439 -0.224 30 20 DBED CC#CCNC[C@@H](O)CNC(=O)CCNC(=O)c1cccs1 1753934874 FQGDATVNFXKBTG-GFCCVEGCSA-N 323.418 -0.042 30 20 DBED N#CCNC/C=C/CNC(=O)[C@H]1COCCN1CC(F)F 1754153721 LSGXZTXONWARII-FMBMQGQPSA-N 302.325 -0.262 30 20 DBED C=CCN1CC[C@H]1CNC(=O)CN1CCS(=O)(=O)CC1 1754502300 FCFWVJIVBHKMHQ-LBPRGKRZSA-N 301.412 -0.907 30 20 DBED Cn1cc(C(=O)NC2(CO)CCN(CC#N)CC2)ccc1=O 1755178484 FTYVFTSZBIQPOV-UHFFFAOYSA-N 304.350 -0.534 30 20 DBED CC(C)[C@@H](CCNC(=O)c1cnn(C)c1)NCC(=O)NCC#N 1755548684 LDNMTSSUYWKBES-CYBMUJFWSA-N 320.397 -0.206 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)c2cc[n+]([O-])cc2)[C@@H]1C 1755649724 YLNKFISEVZFQJZ-TZMCWYRMSA-N 318.377 -0.185 30 20 DBED C#CCNC[C@H]1CC[C@H](NC(=O)CS(=O)(=O)CCOC)C1 1755737302 HSFLLCZDTBFVIW-STQMWFEESA-N 316.423 -0.445 30 20 DBED C=CCNC(=O)[C@@H](C)NC[C@H](O)CN(C)C(=O)c1ccnn1C 1755774995 OLNADNIISPGNCX-NEPJUHHUSA-N 323.397 -0.867 30 20 DBED C#CCN1CCC([C@H](C)NC(=O)CCNC(=O)COC)CC1 1755848978 SUZKINLUBFODQY-ZDUSSCGKSA-N 309.410 -0.011 30 20 DBED C=CCCC(=O)N(C)C1CC(NCC(=O)N2CCNC(=O)C2)C1 1755854835 VMVFSIWLFQRHRU-UHFFFAOYSA-N 322.409 -0.510 30 20 DBED C[C@H](C#N)C(=O)NCCCOCCNC(=O)c1ncccn1 1756400229 OJYVXLKBGNHLEE-LLVKDONJSA-N 305.338 -0.111 30 20 DBED Cc1cc(C(=O)NC[C@H](CO)NC(=O)CSCC#N)cnn1 1756515619 NGGKWLVYNIJIRZ-LLVKDONJSA-N 323.378 -0.751 30 20 DBED C=CCCC(=O)N[C@@H]1CCN(C(=O)c2nnn(C)c2C)C[C@H]1O 1757561257 GPBJSBPJSHYVEH-VXGBXAGGSA-N 321.381 -0.219 30 20 DBED COC[C@]1(CO)CCN(S(=O)(=O)c2ccc(C#N)nc2)C1 1771772667 MAZABQHPNQUSEM-CYBMUJFWSA-N 311.363 -0.027 30 20 DBED C[C@@](O)(CNS(=O)(=O)c1cc(F)ccc1C#N)C(=O)O 1776462163 NOMFTRLUTPBUFM-LLVKDONJSA-N 302.283 -0.189 30 20 DBED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3CC(=O)C3)[C@H]2C1 1792162706 MGJSEPQSYPJTFL-BPNCWPANSA-N 304.346 -0.422 30 20 DBED N#CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCOC1)C2 1795084787 SKPYUAFFPDZEKR-NRWUCQMLSA-N 307.350 -0.474 30 20 DBED C#CCNC(=O)COC(=O)c1ccc(S(=O)(=O)NC)cc1 19397173 YRMARKWFNRYJMY-UHFFFAOYSA-N 310.331 -0.499 30 20 DBED CCOCCNC(=O)CN(C)CCCc1n[nH]c(N)c1C#N 89943809 XMFMEOZDBPBJML-UHFFFAOYSA-N 308.386 -0.119 30 20 DBED C[C@H](CNS(=O)(=O)c1ccc(C#N)nc1)N1CCOCC1 170660324 WJIXYPUKBDBPKQ-LLVKDONJSA-N 310.379 -0.048 30 20 DBED N#C[C@@H]1COCCN1C(=O)CCN1C(=O)NC2(CCCC2)C1=O 267188974 OZMQYFOHPMOWEF-LLVKDONJSA-N 320.349 -0.008 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCC[C@@H](N)C2)C1=O 275757992 MDPQTVGFESUYFS-ZJUUUORDSA-N 308.338 -0.651 30 20 DBED C=CCS(=O)(=O)CCNS(=O)(=O)N(C)[C@@H](C)CC#N 282274569 IQFBMQXBGYRMOK-JTQLQIEISA-N 309.413 -0.344 30 20 DBED CC(C)N1CC[C@H](/N=C(/O)N2C[C@@H]3OCCN(C)[C@H]3C2)C1=O 329980033 KOFFTUXTBQAFKW-AVGNSLFASA-N 310.398 -0.076 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCS(=O)(=O)CC[C@H]1C 332062810 ZFVLXVLEYXXNGT-WDEREUQCSA-N 323.440 -0.168 30 20 DBED C=CCN1CCC(NS(=O)(=O)N2CCO[C@H](C#N)C2)CC1 337060765 GRISLDFVNRQMSV-CYBMUJFWSA-N 314.411 -0.304 30 20 DBED C=CCN1CC[C@H](N(C)CC(=O)N2CCC[C@@H](C(N)=O)C2)C1=O 337231097 UBNXBFHWOBYESY-OLZOCXBDSA-N 322.409 -0.571 30 20 DBED C=C[C@H](CO)NC(=O)C(=O)Nc1cn(Cc2ccccc2)nn1 340507177 MXKBTVFSQHMARK-GFCCVEGCSA-N 315.333 -0.072 30 20 DBED COCCN(CCC#N)S(=O)(=O)NCC(C)(C)OCCO 341635788 BRZHMVKOJXNQPT-UHFFFAOYSA-N 323.415 -0.530 30 20 DBED COC(=O)CN(CC#N)CCN1C(=O)NC2(CCCC2)C1=O 348510505 PZFKIDNGEGLBIC-UHFFFAOYSA-N 308.338 -0.150 30 20 DBED Cn1c(N2CCOC[C@H]2[C@H]2CCCO2)c(C#N)c(=O)n(C)c1=O 376259500 CYXDLVAJJDKPBA-NWDGAFQWSA-N 320.349 -0.660 30 20 DBED C#CCN1CCN(C(=O)CN2CCC(CC(N)=O)CC2)CC1 490778344 DWDHWEQKAKBYMR-UHFFFAOYSA-N 306.410 -0.649 30 20 DBED C#CCN1CCN(C(=O)CN2CCC(OCCO)CC2)CC1 490892051 JJXYNHIDZNDELB-UHFFFAOYSA-N 309.410 -0.763 30 20 DBED C#C[C@H](CC)NC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 491568778 SRRSMLFXZMPGIB-LLVKDONJSA-N 306.366 -0.469 30 20 DBED COc1cc(C#N)ccc1S(=O)(=O)N1C[C@@H](O)[C@@H](CO)C1 575002454 LHPBUEKVFPLUIQ-GHMZBOCLSA-N 312.347 -0.459 30 20 DBED C[C@@H]1CC(=O)NCCN1C(=O)C(=O)NCc1cccc(C#N)c1 585711556 CXJKPFYPNAAJQZ-LLVKDONJSA-N 314.345 -0.089 30 20 DBED C[C@@H]1CCN(C(=O)C(=O)NC2CCN(CC#N)CC2)[C@@H]1CO 588125986 VYXPHJMPVMHBLF-DGCLKSJQSA-N 308.382 -0.680 30 20 DBED C=CCCSCCNC(=O)C(=O)NC[C@H]1CNCCCO1 595285102 ZSDYBNAYPOGTNC-GFCCVEGCSA-N 315.439 -0.093 30 20 DBED CC(C)(CNC(=O)Cn1cc(CCC#N)nn1)N1CCOCC1 603184064 UACWBGHMMNXIMV-UHFFFAOYSA-N 320.397 -0.039 30 20 DBED C[C@H](OC(=O)CN1C(=O)CN(C)C1=O)C(=O)N(C)CCC#N 729566557 YSZFXDOOCPRBRM-VIFPVBQESA-N 310.310 -0.816 30 20 DBED C#CCOCCC(=O)OCC(=O)NC(=O)NCC(F)(F)F 756304269 VAIFRXNGEHCHFX-UHFFFAOYSA-N 310.228 -0.042 30 20 DBED Cn1cc(N2CCN(Cn3cccc(C#N)c3=O)CC2=O)cn1 758229139 DDCVSLAIPPIIRG-UHFFFAOYSA-N 312.333 -0.240 30 20 DBED COCCn1c(=C(C#N)C#N)sc(=Cc2ccn(C)c2)c1=O 763436689 KNTQDUGHMJIDRR-UHFFFAOYSA-N 314.370 -0.079 30 20 DBED N#CCCN(CCC#N)C(=O)COC(=O)C1(C(N)=O)CCC1 769098811 IWEAWSJFNOTDQU-UHFFFAOYSA-N 306.322 -0.159 30 20 DBED C#CCOCCNC(=O)N1CC[C@H](S(=O)(=O)NCC)C1 784545525 OWJYTEYQFTWYHF-NSHDSACASA-N 303.384 -0.641 30 20 DBED Cc1nnc(S[C@H](C)C(=O)NC2(C#N)CCC2)n(N)c1=O 786708422 OLSGDKVRWAABBB-MRVPVSSYSA-N 308.367 -0.296 30 20 DBED CN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCCS(C)(=O)=O 788394105 YYYYIDXMAFFGGA-UHFFFAOYSA-N 323.374 -0.323 30 20 DBED CN(C)c1c(C=NNc2nccn2C)c(=O)n(C)c(=O)n1C 807984806 GDSZLCKUJNKOLD-UHFFFAOYSA-N 305.342 -0.671 30 20 DBED N#Cc1cncc(S(=O)(=O)NC(=O)CCN2CCCC2=O)c1 813981111 UMNZQOVDWVINKN-UHFFFAOYSA-N 322.346 -0.229 30 20 DBED O=C(Cc1cccc(F)c1)NCC(=O)N[C@H]1CCCN(O)C1=O 816755661 GFIAMTYSRNEFLE-LBPRGKRZSA-N 323.324 -0.019 30 20 DBED C[C@](C#N)(CC(=O)O)C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 819821696 JJFUKGAXSJETHX-BXKDBHETSA-N 317.367 -0.469 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)/C=C\c2ccc[nH]2)CC1 831568541 JXXANQFFBASSNS-WAYWQWQTSA-N 322.390 -0.360 30 20 DBED CCn1cc(S(=O)(=O)N(CC#N)CC(=O)O)c([N+](=O)[O-])n1 833681946 MUTSNLWWYSINAB-UHFFFAOYSA-N 317.283 -0.590 30 20 DBED CNS(=O)(=O)c1ccc(C(=O)N[C@H]2CNC[C@@H]2C#N)cc1 834517458 VSQSJGPPYXQELP-JQWIXIFHSA-N 308.363 -0.564 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCN(C(COC)COC)CC1 839801797 CWHGXLQABJOHNV-INIZCTEOSA-N 323.437 -0.110 30 20 DBED C=CCN(CC=C)C(=O)COC(=O)[C@H]1CCS(=O)(=O)N1 845368033 LLWZRLBVMLMNED-SNVBAGLBSA-N 302.352 -0.578 30 20 DBED C#CC[C@H](CCOC)NC(=O)CN1C(=O)C(=O)N(CC=C)C1=O 863788270 LZBRDUZEEMQABL-LLVKDONJSA-N 321.333 -0.492 30 20 DBED C#CCN1CCC[C@H](Nc2c(C#N)c(=O)n(C)c(=O)n2C)C1 884611411 LVOYPWUCPHZRDB-NSHDSACASA-N 301.350 -0.535 30 20 DBED C#CCN1CCC[C@@H](NC(=O)N(C)[C@H]2CCS(=O)(=O)C2)C1 885508191 CVGRPGHPUCMWBJ-OLZOCXBDSA-N 313.423 -0.088 30 20 DBED C[C@H](Nc1c(C#N)c(=O)n(C)c(=O)n1C)[C@H]1CN(C)CCN1C 895249315 RDGBDWCFLBLJHW-CMPLNLGQSA-N 320.397 -0.998 30 20 DBED C#CCSCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 899982931 MKIDJCXLZUQFPP-GFCCVEGCSA-N 316.448 -0.316 30 20 DBED CC(C)[C@H](C#N)N1CCN(C(=O)[C@H]2OCCN(C)C2=O)CC1 900480379 NMUIEGPSZZWVTC-STQMWFEESA-N 308.382 -0.464 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCNC(=O)CC1(C)C 918086753 KKFXZTWEPUYZDV-JTQLQIEISA-N 302.400 -0.077 30 20 DBED CCN1CCO[C@@H](C(=O)N[C@H]2CCN(C(=O)C#CC3CC3)C2)C1 938049401 TUHNYPDETCQZOC-LSDHHAIUSA-N 319.405 -0.162 30 20 DBED N#Cc1cc(C(=O)N[C@H]2CCCCN(C(=O)CC(N)=O)C2)c[nH]1 943199500 NFFXGMRAHDIQPI-NSHDSACASA-N 317.349 -0.127 30 20 DBED C=C(C)CN1CCOC2(CCN(C(=O)Cn3ncnn3)CC2)C1 949365942 MNFOUGWELRDKCI-UHFFFAOYSA-N 320.397 -0.057 30 20 DBED NC(=O)C(=O)N1CC[C@@]2(CCCN(C(=O)C#CC3CC3)C2)C1 952943389 HXKKKQVTKXSLHG-MRXNPFEDSA-N 303.362 -0.274 30 20 DBED C[C@@H]1C[C@@H](NC(=O)Cn2ncnn2)CCN1C(=O)C#CC1CC1 955675806 QNFUDSNQFXQSAM-YPMHNXCESA-N 316.365 -0.418 30 20 DBED C=CCCN1CCN(C(=O)c2cn(CC(=O)N(C)C)nn2)CC1 957778265 FARMEPQYGQBGLT-UHFFFAOYSA-N 320.397 -0.300 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2ncccc2NC(C)=O)C1 958127435 YRRCAIRXIOVWQC-GXTWGEPZSA-N 316.361 -0.304 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2cc(=O)c(OC)co2)C1 958264411 WSLYWEGBYQZWJT-PWSUYJOCSA-N 306.318 -0.696 30 20 DBED C#CCN1C[C@H](CNC(=O)c2nnn(CC)c2CC)[C@@H](O)C1 958403295 CLVVGRQRTJBHTO-AAEUAGOBSA-N 305.382 -0.484 30 20 DBED C=C(C)CN1C[C@H](CNC(=O)c2ccc(C(N)=O)nc2)[C@@H](O)C1 958747748 CDIYAQZKGJHFAN-JSGCOSHPSA-N 318.377 -0.221 30 20 DBED N#CCN1C[C@H]2C(NC(=O)c3sccc3-n3cnnn3)[C@@H]2C1 960767216 NLOPGUWBNQMVGQ-RKDXNWHRSA-N 315.362 -0.093 30 20 DBED C#CCCN1C[C@@H]2C(NC(=O)Cn3nc(C)ccc3=O)[C@H]2C1 962355789 XUZHZVNZETYWJC-STQMWFEESA-N 300.362 -0.379 30 20 DBED O=C(NC[C@@H]1COCCN1C(=O)C#CC1CC1)c1cc[nH]n1 964088463 LBCVGBCGVWMGEE-GFCCVEGCSA-N 302.334 -0.220 30 20 DBED COCCn1nc(C(=O)N2CC[C@H](N(C)CC#N)C2)ccc1=O 971898182 IHPOVKMCWZZHMT-LBPRGKRZSA-N 319.365 -0.440 30 20 DBED C#CCCN1CCO[C@@]2(CCN(C(=O)C3CN(C(C)=O)C3)C2)C1 972361105 DQKXAKXJAVVKJJ-KRWDZBQOSA-N 319.405 -0.209 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)[C@@H]3CCN(C(C)=O)C3)C2)C1 972655799 PFZFEYJOJSVOPV-WBVHZDCISA-N 319.405 -0.209 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)[C@@]3(C)CNC(=O)C3)[C@H]2C1 976848890 ANCNTGGMJCOFSI-ZNXLTMBDSA-N 304.350 -0.755 30 20 DBED C#CCN1C[C@@H](NC(=O)c2nc(O)nc(O)c2OC)C(C)(C)C1 977467162 JMMPTLIMKYRAIL-SECBINFHSA-N 320.349 -0.030 30 20 DBED O=C(NC[C@H]1CCN(C(=O)C#CC2CC2)C1)c1c[nH]c(=O)cn1 982740928 BGPSGWZDOZKSME-GFCCVEGCSA-N 314.345 -0.238 30 20 DBED C=C1CC(C)(C(=O)N2CC(NC(=O)Cn3ncn(C)c3=O)C2)C1 994970990 XSMAAMPJUYATER-UHFFFAOYSA-N 319.365 -0.735 30 20 DBED CC(C)N1C[C@@H](C(=O)NCC2CN(C(=O)[C@@H](C)C#N)C2)CC1=O 1002443323 PUGGZXMHELJGLQ-AAEUAGOBSA-N 320.393 -0.022 30 20 DBED C#Cc1ccc(C(=O)N2C[C@H]3CC[C@H]2CN3C(=O)C(N)=O)cn1 1007436392 SUMYPZNBEDGATF-QWHCGFSZSA-N 312.329 -0.636 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCN(Cc2nnnn2C)C1 1008557299 CASCOAPHHOAGQR-XQQFMLRXSA-N 320.397 -0.118 30 20 DBED C=CCCN1CC[C@H](NC(=O)Cn2ncn3nccc3c2=O)C1 1015788453 GCQNKPCLPZRZMO-LBPRGKRZSA-N 316.365 -0.342 30 20 DBED C[C@@H]1CN(C(=O)C(N)=O)CC[C@H]1CNC(=O)c1cc(C#N)c[nH]1 1020798636 JXPNNNSPXVKCMY-KOLCDFICSA-N 317.349 -0.414 30 20 DBED C=C1CC(C)(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3COC(=O)N3)C2)C1 1023569100 VQHGHVPSVUOBAF-OUAUKWLOSA-N 323.349 -0.861 30 20 DBED C=CCN1CC[C@@H](NC[C@H]2CCCCN2C(=O)C(N)=O)C1=O 1025063653 HYHWAMOSYOHZJA-VXGBXAGGSA-N 308.382 -0.771 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)Cn3ccc(C)n3)C2)C1=O 1030973254 KNSGZKPYNUTYQR-CQSZACIVSA-N 317.393 -0.221 30 20 DBED CC(C)(C)n1nnc(CC(=O)N2C[C@@H]3C[C@H]2CN3CC#N)n1 1032420010 JLYTZOFRZHUCED-QWRGUYRKSA-N 303.370 -0.221 30 20 DBED C#CCCN1CC2(CCN(C(=O)CN3CC(=O)NC3=O)CC2)C1 1035823071 CTENWUMFNACYTH-UHFFFAOYSA-N 318.377 -0.514 30 20 DBED Cc1cn(C)nc1C(=O)NC[C@@]1(O)CCN(C(=O)[C@@H](C)C#N)C1 1039694895 MUYMTVCSVOZORL-BONVTDFDSA-N 319.365 -0.419 30 20 DBED C=CCN1[C@H]2CCC[C@H]1CN(C(=O)[C@H]1CCS(=O)(=O)N1)C2 1040008694 JJFUPKSNVJTVLB-RWMBFGLXSA-N 313.423 -0.071 30 20 DBED Cc1nc(N2C[C@@H](O)[C@H](NC(=O)c3cc[nH]n3)C2)ccc1C#N 1040929008 XXYDDPHBBBSRSX-CHWSQXEVSA-N 312.333 -0.036 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)[C@H]2CC[C@@H]2C(N)=O)C1 1041973042 PDAFPWIZHPJSNJ-QWRGUYRKSA-N 309.366 -0.846 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)[C@@H](C)n2cccn2)C1 1042039860 KCDJFJJYKNXYJO-GFCCVEGCSA-N 322.365 -0.664 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)c2ccc(OC)o2)C1 1042047093 IEOMQKBXJNLMQA-UHFFFAOYSA-N 324.333 -0.206 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)[C@@H](C)n2cncn2)C1 1042803122 SDWHYYWPCHYGRW-GFCCVEGCSA-N 319.365 -0.668 30 20 DBED O=C(NCC1(O)CN(C(=O)C#CC2CC2)C1)[C@@H]1CCCOCC1 1042822610 KACJBFUXOBASHK-CQSZACIVSA-N 320.389 -0.094 30 20 DBED C=C[C@@](C)(CC)C(=O)N1CC(O)(CNC(=O)c2ncn(C)n2)C1 1042895439 JQLWMFFGBDLQCB-AWEZNQCLSA-N 321.381 -0.280 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@@]23CCOC3)C1 1042937882 MNXKYHSWTCBRDN-XJKSGUPXSA-N 320.389 -0.238 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)c2ccco2)C1 1043042748 VWEJTLFGUVQWIZ-LLVKDONJSA-N 306.318 -0.379 30 20 DBED C=CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1043570189 GFZOQYBJLZBLEY-LBPRGKRZSA-N 306.362 -0.320 30 20 DBED N#Cc1nccnc1N1C[C@H](O)[C@H](NC(=O)[C@H]2CC2(F)F)C1 1043927990 XIIZRNHBLPUSLY-QNSHHTMESA-N 309.276 -0.331 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)c3csnn3)C2)cn1 1044354483 DSMLWLHGYQAIBR-PWSUYJOCSA-N 316.346 -0.216 30 20 DBED C#CCN[C@H]1CCN(C(=O)CN2CC(=O)N(C)C2=O)[C@@H](C)C1 1044816107 JBWBGZICMMJCLF-RYUDHWBXSA-N 306.366 -0.517 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)c2ncccc2O)C1 1045541368 VBHOSNGMGNIPDN-SECBINFHSA-N 304.306 -0.750 30 20 DBED N#Cc1cnc(N[C@H]2C[C@@H](CNC(=O)[C@@H]3CCNC3=O)C2)cn1 1046529893 VJZWMBJWNXFVOF-JFGNBEQYSA-N 314.349 -0.209 30 20 DBED C=CCN1C[C@H]2C[C@H](NC(=O)CN3CC(=O)NC3=O)C[C@H]1C2 1047162405 JSYKLDJASRBRHD-SDDRHHMPSA-N 306.366 -0.307 30 20 DBED N#CCN1C[C@H]2C[C@H](NC(=O)Cn3c(O)nnc3O)C[C@H]1C2 1047190993 NEXUEACQHSWZAR-LPEHRKFASA-N 306.326 -0.818 30 20 DBED C=C(C)CCC(=O)N(C)[C@H]1CN(C(=O)CNC(C)=O)C[C@@H]1O 1048934611 DLDQVELUPNWCEE-STQMWFEESA-N 311.382 -0.491 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)c2cccnn2)C[C@@H]1O 1049394307 IYNWUPKYHPCQCG-DLOVCJGASA-N 303.322 -0.720 30 20 DBED N#CCN1CCOC[C@@H]1CNC(=O)[C@@H]1CCCN(C(N)=O)C1 1051014817 DZKRTHHGWBYRAO-NEPJUHHUSA-N 309.370 -0.882 30 20 DBED N#CCN1CCOC[C@@H]1CNC(=O)[C@H]1CCCN(C(N)=O)C1 1051014819 DZKRTHHGWBYRAO-RYUDHWBXSA-N 309.370 -0.882 30 20 DBED Cn1cnc(C(=O)N2CC[C@@H](N3CCN(CC#N)CC3)C2)c1 1052012144 DNKUGEHIIRIRNW-CYBMUJFWSA-N 302.382 -0.224 30 20 DBED C[C@@H]1OCCO[C@@H]1C(=O)N1CC[C@@H](N2CCN(CC#N)CC2)C1 1052037136 DQMYLRRSJRTGEH-ZNMIVQPWSA-N 322.409 -0.468 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@@H]2CCC3(CN(CCO)C3)O2)c1 1053588256 SNTPZBOMWQQRBT-LBPRGKRZSA-N 304.350 -0.158 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)C[C@@H]3CCC(=O)NC3)CO2)C1 1053826668 HKAYOMAHZZQKTL-KBPBESRZSA-N 319.405 -0.115 30 20 DBED C[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1NCc1nnn(C)n1 1054585816 BVGYJZGNNVRHLS-JOYOIKCWSA-N 314.353 -0.340 30 20 DBED CC(C)C#CC(=O)N[C@@]1(CO)CCCN(C(=O)c2nc[nH]n2)C1 1055933234 MEVFXRNDLHBFGS-HNNXBMFYSA-N 319.365 -0.453 30 20 DBED CCCN(C)CC(=O)N[C@@]1(CO)CCCN(C(=O)[C@H](C)C#N)C1 1056031759 DJAXQNFOFFMMKS-CJNGLKHVSA-N 324.425 -0.042 30 20 DBED N#Cc1ccc(N2C[C@@H]3C(NC(=O)Cn4cccn4)[C@H]3C2)nn1 1056140656 KABBBGOZPCWEDQ-RYUDHWBXSA-N 309.333 -0.204 30 20 DBED Cn1cncc1C(=O)N[C@H]1[C@@H]2CN(c3cnc(C#N)cn3)C[C@@H]21 1056334690 ALXLFVCDVQUGEJ-YABSGUDNSA-N 309.333 -0.054 30 20 DBED Cc1nn[nH]c1C(=O)N[C@H]1[C@@H]2CN(c3nccnc3C#N)C[C@@H]21 1056361706 CNDOIMDQGGORII-GDGBQDQQSA-N 310.321 -0.361 30 20 DBED N#Cc1cccnc1N1C[C@H]2C(NC(=O)[C@H]3CNC(=O)N3)[C@@H]2C1 1056393017 QHRMUUDUSMYGKT-GMTAPVOTSA-N 312.333 -0.815 30 20 DBED CN(c1cncc(C#N)n1)[C@@H]1CCN(C(=O)Cn2ncnn2)C1 1056969761 PTLNDICKWAUOCN-LLVKDONJSA-N 313.325 -0.928 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)C(=O)C(C)(C)C 1057193879 RYEYJWSXFXJYKJ-UHFFFAOYSA-N 314.382 -0.259 30 20 DBED C=C[C@](C)(O)CC(=O)N(CCO)CCNC(=O)[C@H]1CCCO1 1057450396 PSQIZUAUPKPBSR-DOMZBBRYSA-N 314.382 -0.570 30 20 DBED N#Cc1nccnc1N1CCC[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 1058231872 UOCQJXKLZRLNNA-ONGXEEELSA-N 315.337 -0.885 30 20 DBED N#Cc1cncc(N2CC[C@@H](NC(=O)C[C@@H]3CCC(=O)N3)C2)n1 1058396167 GKTJNRVLAOVQGD-WDEREUQCSA-N 314.349 -0.288 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)c1ccncn1 1058501885 IRRILJORVGHYNW-UHFFFAOYSA-N 304.350 -0.313 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](CCNC(=O)CC(=O)NC)C1 1059643638 AGDHDKKEVGYDCB-CYBMUJFWSA-N 323.393 -0.483 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](CCNC(=O)Cc2nc[nH]n2)C1 1060289523 OUJMEPHOXXWWJU-QWRGUYRKSA-N 304.354 -0.138 30 20 DBED N#Cc1cnc(NC[C@H]2CCN(C(=O)[C@H]3CCNC3=O)C2)cn1 1060954339 FJKLSMGHQWYZCZ-PWSUYJOCSA-N 314.349 -0.255 30 20 DBED Cc1cnn(CC(=O)NC[C@H]2COCCN2C(=O)[C@H](C)C#N)c1 1061370587 WSGVZJQCJNUITK-OLZOCXBDSA-N 319.365 -0.305 30 20 DBED N#Cc1nccnc1N1CC[C@H](CNC(=O)[C@H]2COCCO2)C1 1061526172 XMUUHPPAVYCIKW-DGCLKSJQSA-N 317.349 -0.294 30 20 DBED C#CCCCC(=O)N1CCOC[C@@H]1CNC(=O)CNC(=O)NC 1061646039 HZOZYFVPIZVOEI-LBPRGKRZSA-N 324.381 -0.938 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)c1cnsn1 1061845208 FBUQGIZTHNNNBI-DTWKUNHWSA-N 309.351 -0.345 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)c1cccc(O)n1 1061845220 FKHJXXOXUUSJAE-WDEREUQCSA-N 318.333 -0.096 30 20 DBED Cn1nnc(C(=O)N2C[C@@H]3C[C@H]2CN3c2ncccc2C#N)n1 1062561074 ZAKJBZLMBWLYOQ-QWRGUYRKSA-N 310.321 -0.420 30 20 DBED C#CCCCC(=O)NCC1(NC(=O)Cn2ncnn2)CCC1 1062861672 UKBXCRROTNLTJW-UHFFFAOYSA-N 304.354 -0.368 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(NC(=O)c2cnn(C)n2)CCC1 1063042021 LCABPIJRELKFJI-NSHDSACASA-N 319.365 -0.378 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CN(C(=O)CCCC(N)=O)CCO1 1065305694 RZSVKMPHMXMDHB-MNOVXSKESA-N 310.354 -0.855 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)c2c[nH]c(=O)cn2)CCO1 1065536372 GLDPFFHLPDJSOV-NSHDSACASA-N 320.349 -0.307 30 20 DBED C=C(C)CCC(=O)N1CCN([C@@H]2CCN(C(=O)C(N)=O)C2)CC1 1065711741 QDMHYKUVLPTCBH-CYBMUJFWSA-N 322.409 -0.427 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H]1CCCN(C(=O)c2nc[nH]n2)CC1 1066173934 XZNFGDPJHNEOLL-NEPJUHHUSA-N 319.365 -0.046 30 20 DBED C[C@H]1[C@H](Nc2cnc(C#N)cn2)CCN1C(=O)Cn1cnnn1 1068777330 RGWKSQCHVIYBKJ-GXSJLCMTSA-N 313.325 -0.564 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2ccc(O)nc2)C1 1070088916 LZPVUHQDJNFVJY-OLZOCXBDSA-N 312.333 -0.333 30 20 DBED N#CCN[C@@H]1CN(C(=O)C2CCC(O)CC2)C[C@@H]1n1ccnn1 1070185403 UNTKJNAOWWSQPK-PQAZSJQKSA-N 318.381 -0.306 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)[C@@H]2COC(=O)N2)CCOCC1 1070231284 ROSZHCKELOUIPC-ZJUUUORDSA-N 324.337 -0.964 30 20 DBED C=C(C)CN1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)C(N)=O)n1 1070597952 FBUOBNPTSUBDIQ-RYUDHWBXSA-N 321.381 -0.028 30 20 DBED C=CC(C)(C)C(=O)N1CCC(=O)NCCN([C@@H](C)C(N)=O)CC1 1070985192 IYEQKMBPKBQRTD-LBPRGKRZSA-N 324.425 -0.277 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CN(C(=O)c2ccc[nH]2)C[C@H]1C 1071591169 IQNVJEKRQYVUMG-YPMHNXCESA-N 316.361 -0.269 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(C(=O)c2cn[nH]c2)C[C@@H]1C 1071671619 DQSZZPBLJJWIRN-CMPLNLGQSA-N 317.349 -0.874 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)[C@H]2CCS(=O)(=O)C2)C1 1073684693 XZAQERYAGRQNLO-QWHCGFSZSA-N 314.407 -0.739 30 20 DBED CC#CCN1CCCO[C@@H](CNC(=O)[C@@H]2CN(C)C(=O)N2)C1 1073726383 KJFDDRJHIIVRNU-STQMWFEESA-N 308.382 -0.760 30 20 DBED C#CCCN1CCCO[C@H](CNC(=O)[C@@H]2CN(C)C(=O)N2)C1 1073727177 VITZEEBSUOKPGF-OLZOCXBDSA-N 308.382 -0.760 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 1073769205 AIIHAVFDECAEFO-MELADBBJSA-N 307.394 -0.449 30 20 DBED C=CCOCC(=O)N1CC[C@@H](NC(=O)C2(C(N)=O)CC2)[C@@H](C)C1 1074180146 YJRCVSOEFIDROH-NWDGAFQWSA-N 323.393 -0.192 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)Cc3ccnn3C)C[C@H]21 1074226503 RCPNGFIDILDDKD-CABCVRRESA-N 302.378 -0.103 30 20 DBED C=CCOCC(=O)NCC[C@H](C)NC(=O)CCNC(N)=O 1075919879 GBAIQWHYNLQWNC-JTQLQIEISA-N 300.359 -0.742 30 20 DBED C[C@@H](CCNC(=O)CN1C(=O)CCC1=O)NC(=O)C#CC1CC1 1076454535 HXVXJLCGPBJWFB-NSHDSACASA-N 319.361 -0.440 30 20 DBED CC#CCCCC(=O)N[C@@H](C)CCNC(=O)Cn1ncnn1 1076652702 HQUCJGNGTVWYAY-LBPRGKRZSA-N 306.370 -0.122 30 20 DBED C=CCO[C@H](C)C(=O)NCC[C@H](C)NC(=O)CCNC(N)=O 1077067753 JRAZCSZQXFIAOO-WDEREUQCSA-N 314.386 -0.353 30 20 DBED C#CCN1CCC(C(=O)N[C@@H]2CN(CC#CC)C[C@H]2O)CC1 1078227112 JMIFEXQGQHCVPV-HZPDHXFCSA-N 303.406 -0.484 30 20 DBED C#CCNC(=O)CC(=O)N1CC(N(CC)C(=O)[C@H](CC)OC)C1 1079448929 XFOUTCASUCDZKG-ZDUSSCGKSA-N 323.393 -0.390 30 20 DBED C#CCNC(=O)CC(=O)N1CC(N(CC)C(=O)C#CC2CC2)C1 1079736834 LXDLGEXAIAKUMD-UHFFFAOYSA-N 315.373 -0.401 30 20 DBED C=CCOCC(=O)N1C[C@H](CNC(=O)c2ccccn2)[C@@H](O)C1 1081169596 NUKCYZRSDGYLTB-JSGCOSHPSA-N 319.361 -0.167 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2cccnc2)C[C@H]1O 1081344190 NCHVXMGRXTZYDC-UONOGXRCSA-N 319.361 -0.167 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)c2cc[nH]n2)C[C@@H]1O 1081441229 FZRXZQMGFZLINA-YPMHNXCESA-N 304.350 -0.238 30 20 DBED C=CCCC(=O)N1C[C@H](CNC(=O)Cc2ccnn2C)[C@@H](O)C1 1081444476 JJYKQJHVUQSLAK-JSGCOSHPSA-N 320.393 -0.136 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)CN2CCCC2)C[C@@H]1O 1081465244 DHJVDVVTTGDMKN-GJZGRUSLSA-N 321.421 -0.323 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(C(=O)c2cccnn2)C[C@@H]1O 1081471448 NPOWYUYRYINJBE-JSGCOSHPSA-N 314.345 -0.561 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(C(=O)Cc2ncc[nH]2)C[C@H]1O 1081471611 PXIJQMDCFAPZLK-CHWSQXEVSA-N 316.361 -0.699 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)C(=O)N1CCC[C@@H](C)C1 1082208322 IDUDIEAIAAHTQP-JHJVBQTASA-N 308.382 -0.416 30 20 DBED C#CCN1C[C@@H](NC(=O)c2ccc(C(N)=O)cc2)[C@H](OC)C1 1082365309 UOJZLWIVAJTYID-ZIAGYGMSSA-N 301.346 -0.152 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CC(=O)N(CC)C1 1083099146 WBEWZZVQBNEFTM-HZSPNIEDSA-N 305.378 -0.600 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCc3ncncc3C2)C1 1083516895 BXJUTNKXTQWARY-MAZHCROVSA-N 314.389 -0.234 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)c2ccc3c(n2)OCCO3)C1 1083603031 AOBKBZSRXRNNLA-OLZOCXBDSA-N 317.345 -0.349 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)C(=O)N2CCC(C)CC2)C1 1083837983 ZMOWABWCPQRAQW-KGLIPLIRSA-N 309.410 -0.018 30 20 DBED C#CCOc1ccc(C(=O)N[C@@H]2CN(CCCO)C[C@@H]2O)cc1 1083842188 APHQTYKRAIZQNT-CVEARBPZSA-N 318.373 -0.144 30 20 DBED C#CCN[C@H]1C[C@H](CNC(=O)c2nc(O)nc(O)c2OC)C1 1086533036 USTVUHCQALPESJ-KYZUINATSA-N 306.322 -0.372 30 20 DBED CC[C@@H]1[C@@H](NC(=O)CN2CCC(=O)NC2=O)CCN1CC#N 1087785498 JSWNWTGEYVNPEI-WDEREUQCSA-N 307.354 -0.579 30 20 DBED N#CCN[C@@H]1CCCCCN(C(=O)C2CC(=O)NC(=O)C2)C1 1088398245 DBWVLUMSBQKWPU-GFCCVEGCSA-N 306.366 -0.076 30 20 DBED C[C@@H](C[C@H](C)Nc1ccc(C#N)nn1)NC(=O)CNC(N)=O 1089216356 WBDSMVPLAPINNH-IUCAKERBSA-N 305.342 -0.288 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)CC(=O)N(C)C)N=c1cc[nH]c(C#N)n1 1089487778 PREKXVWTWAWBBZ-WDEREUQCSA-N 318.381 -0.056 30 20 DBED N#CCN1CC[C@H](NC(=O)c2ccn(CC(F)F)n2)[C@@H](O)C1 1090345853 YIEABQRWOAPCNI-ONGXEEELSA-N 313.308 -0.163 30 20 DBED COC[C@@H](C)C(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1O 1090387823 NVGMMPLPBMVRRN-YUSALJHKSA-N 305.338 -0.704 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cc(=O)c(OC)co2)[C@@H](O)C1 1090432150 IPPIPUSBHFFIIY-JQWIXIFHSA-N 306.318 -0.553 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cnn(CCN(C)C)c2)[C@@H](O)C1 1090637267 JGGJIMUQBPVFPE-GJZGRUSLSA-N 319.409 -0.757 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)[C@H](O)C1 1090723494 XMXKGDPSNKVBGX-VXGBXAGGSA-N 324.381 -0.992 30 20 DBED C[C@@H]1[C@@H](NC(=O)CS(C)(=O)=O)CCN1c1nccnc1C#N 1091935543 PJIVPEDYSYHVJT-ZJUUUORDSA-N 323.378 -0.524 30 20 DBED C[C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1CNc1ccc(C#N)nn1 1092635982 JGCKSBLUVBDDQK-NXEZZACHSA-N 317.353 -0.477 30 20 DBED CCNC(=O)CC(=O)N1CCN(c2ccnc(C#N)n2)CC1 1093148462 JUYDUVHTYGFTFQ-UHFFFAOYSA-N 302.338 -0.477 30 20 DBED Cc1c(C(=O)N2CCC(OC3CN(CC#N)C3)CC2)nnn1C 1093521688 VKQZZPYJBQRRPS-UHFFFAOYSA-N 318.381 -0.048 30 20 DBED C=CCN1CC(n2cc(CNC(=O)[C@@H]3CC(=O)N(C)C3)nn2)C1 1094294606 MAOGUWZHFMKJOR-LLVKDONJSA-N 318.381 -0.585 30 20 DBED C#CCN1CCN(C(=O)c2cnccn2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094602309 YDTCXYHSPLUEHU-QWHCGFSZSA-N 320.374 -0.967 30 20 DBED C[C@H](CC(=O)N1CC[C@@H](N=c2cc[nH]c(C#N)n2)C1)NC(N)=O 1095061918 QNCQJXJSWMQEJE-NXEZZACHSA-N 317.353 -0.770 30 20 DBED CC(=O)N[C@@H](C)C(=O)N1CCCN(c2ccnc(C#N)n2)CC1 1095161499 UGYQBGKKHDFYGJ-NSHDSACASA-N 316.365 -0.088 30 20 DBED C[C@H](NC(N)=O)C(=O)N1CCC[C@@H](N=c2cc[nH]cc2C#N)C1 1095290242 CCPHXMQIURXMFI-CMPLNLGQSA-N 316.365 -0.165 30 20 DBED Cc1nsc(N(C)CCCNC(=O)CNC(N)=O)c1C#N 1095468779 CNBKKBRGPWMFIO-UHFFFAOYSA-N 310.383 -0.066 30 20 DBED Cc1nsc(N2CCN(CCNC(=O)C(N)=O)CC2)c1C#N 1096298093 UKDHNWZOSIJXEL-UHFFFAOYSA-N 322.394 -0.953 30 20 DBED C#CCOCCC(=O)N[C@H]1C[C@H](Nc2nccn3nnnc23)C1 1097066968 YNGGPAYVHWRLLN-XYPYZODXSA-N 315.337 -0.382 30 20 DBED Cc1cc(=N[C@@H](C)CNC(=O)[C@@H]2CCC(=O)N2)c(C#N)c[nH]1 1097978004 MOGBJYIBJRKUEE-JQWIXIFHSA-N 301.350 -0.121 30 20 DBED C[C@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)Nc1ccc(C#N)nc1 1098264866 WONUHKZLGRXXDA-JIMOISOXSA-N 317.349 -0.097 30 20 DBED N#CCNCc1cn([C@@H]2CCN(C(=O)c3cnccn3)C2)nn1 1098601129 LVDTZDQVWBUDDC-GFCCVEGCSA-N 312.337 -0.232 30 20 DBED C[C@@H](CCNC(=O)Cn1cnnn1)Nc1nccnc1C#N 1098817936 SFDWLNCUNVQUAB-VIFPVBQESA-N 301.314 -0.658 30 20 DBED CCCC(=O)NCC(=O)NCC[C@@H](C)N=c1cc[nH]c(C#N)n1 1098847745 NREAZVJCDHCTHM-LLVKDONJSA-N 318.381 -0.007 30 20 DBED C[C@H](CCNC(=O)[C@@H]1CCCNC1=O)N=c1cc[nH]c(C#N)n1 1099580583 WYZFSYFNIVHPMZ-GHMZBOCLSA-N 316.365 -0.397 30 20 DBED C#CCOCCC(=O)N[C@H]1CCN(Cc2cnns2)C[C@H]1O 1099835520 JFOMKQROLNFBOW-QWHCGFSZSA-N 324.406 -0.371 30 20 DBED N#Cc1nccc(N2CCC[C@H]2CCCNC(=O)C(N)=O)n1 1099876047 TXBBKMQHACIQLZ-SNVBAGLBSA-N 302.338 -0.301 30 20 DBED CC#CCN1CC[C@H](NC(=O)COCc2nccn2C)[C@@H](O)C1 1099888326 TTXHREFRCCOXJY-KBPBESRZSA-N 320.393 -0.489 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)c2cccnn2)[C@@H](O)C1 1100041714 NCEMGWZRKONVSI-JSGCOSHPSA-N 306.366 -0.156 30 20 DBED CN1CC[C@@H](C(=O)NCCN(C)c2ncccc2C#N)C1=O 1100273215 KKFGTZBORUBHPE-LBPRGKRZSA-N 301.350 -0.016 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)c2ccc(C#C)cn2)C1 1100885888 WUZRUTJPLYTVRV-UHFFFAOYSA-N 324.384 -0.090 30 20 DBED CCCN(CCNC(=O)CNC(N)=O)c1cncc(C#N)n1 1101083597 LQXNUEJJIINKAI-UHFFFAOYSA-N 305.342 -0.651 30 20 DBED CN(CC(=O)N1C[C@H]2CN(CC#N)C[C@@]2(C)C1)S(C)(=O)=O 1101256253 MMJUNJUMZWWSMG-YPMHNXCESA-N 314.411 -0.818 30 20 DBED CS(=O)(=O)CC(=O)NCCN(c1cncc(C#N)n1)C1CC1 1101301745 KFSIQGOCXFKIOF-UHFFFAOYSA-N 323.378 -0.522 30 20 DBED CCOCC(=O)NCC[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1102646698 ARPLRDSGUWGGGI-CHWSQXEVSA-N 310.398 -0.263 30 20 DBED N#Cc1ccc(NCC2(NC(=O)CNC(N)=O)CCCC2)nn1 1103393402 YYQZVKQTQGBUEE-UHFFFAOYSA-N 317.353 -0.143 30 20 DBED C#CCNCc1cn(C2CN(C(=O)[C@H]3OCCO[C@H]3C)C2)nn1 1105262369 YJYYEOXPYLEBOX-FZMZJTMJSA-N 319.365 -0.812 30 20 DBED Cn1ccc(C(=O)NC[C@H](O)CNc2nccnc2C#N)c1 1105792406 OBENVMJARSXKIJ-LLVKDONJSA-N 300.322 -0.110 30 20 DBED Cn1cnc(C(=O)NC[C@H](O)CNc2ccc(C#N)cn2)n1 1105815544 KEJKGBOIMZSULB-SNVBAGLBSA-N 301.310 -0.715 30 20 DBED COCC[C@@H](C)C(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1 1105860103 PHDLYUGVHZVLNL-MNOVXSKESA-N 307.354 -0.668 30 20 DBED Cc1nccc(C(=O)NC[C@@H](O)CNc2ccc(C#N)nn2)n1 1105862115 QAQLNUOVGKUADJ-NSHDSACASA-N 313.321 -0.351 30 20 DBED C=CCOCCNC[C@@H]1CN(C(=O)[C@H](C)NC(N)=O)C[C@H]1C 1106054908 MWULGDXJJXPTOY-FRRDWIJNSA-N 312.414 -0.070 30 20 DBED CN1CC[C@@H](C(=O)NC[C@@H](O)CNc2ccc(C#N)nc2)C1=O 1106064406 TVXCDIMXNKNKSA-STQMWFEESA-N 317.349 -0.679 30 20 DBED CCC(=O)N[C@H](C)C(=O)NC[C@H](O)CNc1ccc(C#N)nc1 1106140911 RGDUHXMWHLXYJF-ZWNOBZJWSA-N 319.365 -0.243 30 20 DBED C=CCNC[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)N2)C[C@H]1C 1106991869 TYMBMBREJARPLY-IJLUTSLNSA-N 301.412 -0.452 30 20 DBED CCn1cc(C(=O)N[C@H](C)CN=c2cc[nH]c(C#N)n2)nn1 1107909281 XGELPBIZVFADJR-SECBINFHSA-N 300.326 -0.388 30 20 DBED C=CCCCN1CCO[C@](C)(CNC(=O)Cn2ncnn2)C1 1107947441 KBMBNTCENKHXBR-CQSZACIVSA-N 308.386 -0.154 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)c2cc(=O)n(C)cn2)C1 1108004452 SLHDLKIGRIVEIK-HNNXBMFYSA-N 304.350 -0.766 30 20 DBED C#CCCN1CC(N2C[C@H](NC(=O)[C@@H](CC)N(C)C)CC2=O)C1 1108553877 XVHJOHCXQXEGMH-UKRRQHHQSA-N 320.437 -0.249 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)C3(COC)CCC3)CC2=O)C1 1108557226 SFSRUJSDCCXTQZ-ZDUSSCGKSA-N 319.405 -0.162 30 20 DBED CC#CCN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN1C(=O)CNC1=O)C2 1108813315 MUBLVOIUDYGTDU-XQQFMLRXSA-N 318.377 -0.469 30 20 DBED C[C@@H](CN(C)c1cnc(C#N)cn1)NC(=O)c1cc(=O)n(C)o1 1108917739 NCWLSMHONKWUQB-VIFPVBQESA-N 316.321 -0.105 30 20 DBED N#Cc1ccc(NCCN(CCO)C(=O)c2cnsn2)nn1 1111425275 CHBDSQXZNLXCKU-UHFFFAOYSA-N 319.350 -0.254 30 20 DBED Cc1cc[nH]c1C(=O)N(CCO)CCN=c1cc[nH]c(C#N)n1 1111460261 TVAWDEKAOCGMSH-UHFFFAOYSA-N 314.349 -0.047 30 20 DBED COC[C@@H](C)C(=O)NC[C@@H]1COCCN1c1nccnc1C#N 1111665667 MLFARIWAFZSPRX-VXGBXAGGSA-N 319.365 -0.048 30 20 DBED CC(=O)NCC(=O)N[C@H]1CCN(c2nccnc2C#N)C[C@H]1C 1112389291 ZEFWHRJJJUKHKI-PWSUYJOCSA-N 316.365 -0.185 30 20 DBED C[C@H](C#N)C(=O)NC1(CO)CCN(c2cnc(C#N)cn2)CC1 1112656912 HTECJPIQAQDLED-LLVKDONJSA-N 314.349 -0.045 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(c2nc(C)ns2)C[C@H]1O 1112702017 NIVBXXLGNFNWDC-GHMZBOCLSA-N 312.395 -0.038 30 20 DBED CCOCCC(=O)NC[C@@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1112703236 ZPBKTWYIKSHLSA-YPMHNXCESA-N 319.365 -0.312 30 20 DBED C[C@@H](NC(=O)Cn1cnnc1O)[C@@H](C)Nc1cncc(C#N)n1 1112980930 JRRPKKQPXLYEHB-RKDXNWHRSA-N 316.325 -0.349 30 20 DBED C=C(Cl)CN1CCN(C(=O)CS(=O)(=O)CCOC)CC1 1113025148 DGADKEBBBNQKKW-UHFFFAOYSA-N 324.830 -0.056 30 20 DBED C[C@H](NC(=O)Cn1cncn1)[C@@H](C)Nc1ccc(C#N)nn1 1113031467 PYMQEYPNJHQSFZ-ZJUUUORDSA-N 300.326 -0.055 30 20 DBED C[C@H](N=c1cc[nH]c(C#N)n1)[C@H](C)NC(=O)CCNC(N)=O 1113039130 PRISINOSDYCESD-IUCAKERBSA-N 305.342 -0.866 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)c2cccnn2)CC1 1113450507 RGMWUEBJPKLERN-LBPRGKRZSA-N 303.366 -0.075 30 20 DBED C[C@H](CNC(=O)c1nnn(C)n1)N(C)c1ncccc1C#N 1113814537 GGVYZSNZATUILW-SECBINFHSA-N 300.326 -0.269 30 20 DBED CCN(CCC#N)C(=O)CN1C[C@H]2[C@H](NC(=O)[C@@H](C)OC)[C@H]2C1 1113952606 HEGWXQNTGPVSBP-CXTNEJHOSA-N 322.409 -0.170 30 20 DBED C=CCCC(=O)NC1[C@@H]2CN(CC(=O)NC(=O)NCC)C[C@@H]12 1114005126 OCKOUTMKWGUGHZ-GHMZBOCLSA-N 308.382 -0.155 30 20 DBED C#CCOCCC(=O)NC1[C@@H]2CN(CC(=O)N(CC)CC)C[C@@H]12 1114265994 KQFSVYXJGQOWKQ-ZIAGYGMSSA-N 321.421 -0.059 30 20 DBED C[C@H](CCCNc1ccc(C#N)nn1)NC(=O)c1nnn(C)n1 1115052929 ULHWRSGMEJMHQN-SECBINFHSA-N 315.341 -0.118 30 20 DBED CN(C(=O)CC(N)=O)[C@@H](CNc1cnc(C#N)cn1)C1CC1 1115487370 ZWJQPQOYAUKFRU-NSHDSACASA-N 302.338 -0.127 30 20 DBED O=C(CCN/C(O)=C1/N=CC=CC1=O)NCCn1cccn1 1116175123 YOPZKJZMRWIMQL-YPKPFQOOSA-N 303.322 -0.084 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N1C[C@@H](C(=O)OC)[C@H](C2CC2)C1 1118357878 DHNQKKUINAFMBK-RWMBFGLXSA-N 324.377 -0.039 30 20 DBED Cc1ncncc1C(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1 1121085785 BPEQNCYLUWNVEB-SNVBAGLBSA-N 313.321 -0.929 30 20 DBED N#Cc1nccnc1N[C@H](CO)CNC(=O)c1cnns1 1121091748 FRFCYROQNCWFNZ-ZETCQYMHSA-N 305.323 -0.597 30 20 DBED CCCSCC(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1 1121119459 DEXLNOGIJCBUAY-SNVBAGLBSA-N 309.395 -0.198 30 20 DBED Cn1nccc1C(=O)NC[C@H](CO)N=c1cc[nH]cc1C#N 1121177078 DYKCEHWBVLQFRP-LLVKDONJSA-N 300.322 -0.689 30 20 DBED Cc1cc(C(=O)NC[C@H](CO)Nc2cnc(C#N)cn2)ncn1 1121311574 UOURIYCYFYWAJZ-LLVKDONJSA-N 313.321 -0.351 30 20 DBED N#Cc1cnc(N[C@H](CO)CNC(=O)[C@@H]2CCCCO2)cn1 1121453847 FOOKFFJFLUDQCT-RYUDHWBXSA-N 305.338 -0.194 30 20 DBED CN(C)[C@H](C(=O)NC[C@@H](CO)Nc1nccnc1C#N)C1CC1 1122152939 LTJJCUOTFSMXBK-AAEUAGOBSA-N 318.381 -0.423 30 20 DBED C[C@@H]1OCCO[C@@H]1C(=O)NC[C@@H](CO)Nc1ncccc1C#N 1122776644 YXIOJDAYJNTCRG-DRZSPHRISA-N 320.349 -0.354 30 20 DBED CC(=O)NCC(=O)N1C[C@@H](Nc2cnc(C#N)cn2)C[C@@H]1C 1123123210 WHOPDZYPRHGZOO-ONGXEEELSA-N 302.338 -0.114 30 20 DBED CN(C[C@@H](O)CNc1cnc(C#N)cn1)C(=O)Cn1ccnc1 1124398974 HUNJDKCDYOXLAW-LBPRGKRZSA-N 315.337 -0.524 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C[C@@H](O)CN=c1cc[nH]cc1C#N 1124520756 WQPHQXFQPFDIBF-OCCSQVGLSA-N 316.361 -0.355 30 20 DBED C=CCOCC(=O)NCCNCC(=O)Nc1cc(C)nn1C 1124772270 ADRQKBFKHWGSPK-UHFFFAOYSA-N 309.370 -0.425 30 20 DBED CNC(=O)NC(=O)[C@H](C)NCCNC(=O)c1ccc(C#N)[nH]1 1125818847 NUDQUBRLYDQCIA-QMMMGPOBSA-N 306.326 -0.950 30 20 DBED C#CCNC(=O)CC(=O)NCCNCC(=O)NC(C)(C)CC 1125978810 YZEPXCIDKUDYAF-UHFFFAOYSA-N 310.398 -0.864 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)c2cc(OC)no2)C1=O 1126072965 AHYUEKZMDFIULO-JTQLQIEISA-N 308.338 -0.211 30 20 DBED C=C(C)CCC(=O)NCCNC[C@@H](O)CN1C(=O)CCC1=O 1128413595 HVWOWNUWOSSNQF-GFCCVEGCSA-N 311.382 -0.442 30 20 DBED C#CCCN1CC[C@@H](c2n[nH]cc2CNC(=O)CC(N)=O)C1 1130376903 PKNBKTBCBJSESN-LLVKDONJSA-N 303.366 -0.286 30 20 DBED C=CCNC(=O)CNCCNC(=O)Cn1cc(C2CC2)cn1 1130561835 SPOGERRGQQSQDR-UHFFFAOYSA-N 305.382 -0.232 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)c1ccc(=O)n(C)c1 1130768820 GAPDJHONPWKEKU-LLVKDONJSA-N 306.366 -0.605 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)Cc1ccnc(OC)c1 1133877386 WPGCVVONFAZRII-GFCCVEGCSA-N 318.377 -0.524 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cc2c([nH]1)CCCC2 1146889645 ATAWUVRPZGRRKW-UHFFFAOYSA-N 302.378 -0.038 30 20 DBED C=CCNC(=O)CN1CCC2(C1)CN(C(=O)c1cnnn1C)C2 1147455703 OJVRJMAPUIWTPU-UHFFFAOYSA-N 318.381 -0.735 30 20 DBED COCC#CCN1CCCO[C@H](CNC(=O)[C@@H]2CCOC2)C1 1149330618 LYOUAANUMPGVRS-HUUCEWRRSA-N 310.394 -0.120 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(Cc2nc(=O)n(C)[nH]2)CCCO1 1149331531 VOVINYASSJLERZ-GFCCVEGCSA-N 323.397 -0.218 30 20 DBED CC#CCN1CCCO[C@H](CNC(=O)C[C@@H]2CCNC2=O)C1 1149853866 DVQDQVVPKFXCDO-UONOGXRCSA-N 307.394 -0.257 30 20 DBED C=CCCN1CCCO[C@@H](CNC(=O)CN2CCNC(=O)C2)C1 1150078571 LYRVEOUDIQRWSW-AWEZNQCLSA-N 324.425 -0.799 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)c1cnnn1C 1153064587 JPWKWCSNCVZSQL-LLVKDONJSA-N 306.370 -0.995 30 20 DBED N#Cc1ccc(C(=O)NCCCNC[C@@H](O)Cn2cccn2)[nH]1 1156703615 XAKRTEVQKAJGQJ-CYBMUJFWSA-N 316.365 -0.147 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1ccnc(OCC)c1 1166309375 DMZZJPBVZCDVDL-UHFFFAOYSA-N 318.377 -0.061 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1cnn2cc[nH]c12 1174613663 UQMIRWOJKPGKHS-UHFFFAOYSA-N 302.338 -0.879 30 20 DBED C[C@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)[C@@H](C)n1cncn1 1178512234 LONYHVMXMJBAST-TUAOUCFPSA-N 319.369 -0.942 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)[C@H]2OCCO[C@H]2C)[C@H]1C 1178926092 OWLZHJIHRGKKGH-ABHRYQDASA-N 323.393 -0.881 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)c2cn(CC)nn2)[C@H]1C 1179799472 POHSZKTYLSEDPZ-RYUDHWBXSA-N 320.397 -0.207 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@@H](NCc2nc(N(C)C)no2)C1 1182505095 PPLOWYBBPYEKCF-VXGBXAGGSA-N 321.381 -0.136 30 20 DBED C[C@H]1CN(C(=O)c2cnn[nH]2)CC[C@@H]1CNCC(=O)NCC#N 1184713765 URBAFDQIIRIART-WDEREUQCSA-N 319.369 -0.868 30 20 DBED CC(C)C#CC(=O)N1CC[C@H]2CN([C@@H]3CCC(=O)NC3=O)C[C@H]21 1187840580 IHRNCUPOLDIQKP-BFHYXJOUSA-N 317.389 -0.016 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)C[C@@H]2CCCO2)C1 1189011787 GFWMZRCUYPWYIR-KGLIPLIRSA-N 307.394 -0.162 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@@H]1CCN(C(=O)c2ccnn2C)C1 1189232780 QZOPLWYKQPVDSN-CHWSQXEVSA-N 317.393 -0.296 30 20 DBED C#Cc1cncc(C(=O)N2CC[C@H](N(C)CC(=O)NC)C2)c1 1192277028 OSPODLBVVFZXCW-AWEZNQCLSA-N 300.362 -0.045 30 20 DBED C[C@H]1CCN(CC(=O)N2CC[C@@H](N(C)CC(=O)NCC#N)C2)C1 1192353610 FUDRFKWWSBEZNG-UONOGXRCSA-N 321.425 -0.499 30 20 DBED C=CCCCN1C[C@@H](O)[C@H](NC(=O)C2CS(=O)(=O)C2)C1 1193223149 WWUIAMDJEQXGQK-VXGBXAGGSA-N 302.396 -0.842 30 20 DBED C#CCNC(=O)[C@H](C)N1CCCN(C(=O)c2cncnc2)CC1 1195598263 VJLCHOWWZDKCBA-ZDUSSCGKSA-N 315.377 -0.238 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)CCCCN2CCOCC2)C1 1196940500 VJIPDYFHYPHPRB-HZPDHXFCSA-N 323.437 -0.327 30 20 DBED CO[C@@H](C(=O)N1CCCO[C@H](CNCC#N)C1)c1cnn(C)c1 1201079292 HSUWQGKALAFVTP-ZIAGYGMSSA-N 321.381 -0.162 30 20 DBED C=CCNC[C@H]1CN(C(=O)CN2C(=O)CCC2=O)CCCO1 1202021174 HYIMZXRYHFYHCL-LBPRGKRZSA-N 309.366 -0.472 30 20 DBED CCN1CCO[C@H](C(=O)N2CCCO[C@@H](CNCC#N)C2)C1 1202115852 OJGBDERRAHSDQY-KBPBESRZSA-N 310.398 -0.562 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC[C@H](NCc2cnn(C)n2)C1 1208017845 GJHUVCRJRBVYOH-OLZOCXBDSA-N 305.382 -0.066 30 20 DBED COCC#CCN[C@@H]1CCCN(C(=O)C(=O)NCC2CC2)C1 1210387096 DEEVIBCOYZICNH-CQSZACIVSA-N 307.394 -0.257 30 20 DBED C#CCN1C[C@@H](NC(=O)CCCN2C(=O)CCC2=O)[C@H](OC)C1 1212365978 VKMPSNLYYOLRKD-CHWSQXEVSA-N 321.377 -0.636 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)Cc2cc(C)[nH]n2)C[C@H]1C 1214425046 RHNKLHIZHBCASQ-BXUZGUMPSA-N 319.409 -0.001 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCO[C@@H]2CN(CC(=O)N(C)C)C[C@@H]21 1217869183 SCXGGZPJPFTMJG-MELADBBJSA-N 323.393 -0.976 30 20 DBED CCC(C)(C)CC(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@@H]1O 1219693301 BGYGJTOMPGRKFV-NEPJUHHUSA-N 310.398 -0.386 30 20 DBED N#CCNC(=O)CN1CC[C@@H]2CN(C(=O)[C@]3(F)CCOC3)[C@@H]2C1 1221763969 NFWKZPIEAPEWNB-JMSVASOKSA-N 324.356 -0.713 30 20 DBED CN(CC(=O)N1CC[C@H]2CCN(CC#N)[C@H]2C1)S(C)(=O)=O 1222810837 ZARWIKBYPGFICX-NEPJUHHUSA-N 314.411 -0.676 30 20 DBED C=CCN1CCC(CNC(=O)Cn2ccc(O)nc2=O)CC1 1223758069 OADZPPSRYWMIOF-UHFFFAOYSA-N 306.366 -0.037 30 20 DBED CC#CCN[C@@H]1CCCC[C@H]1NC(=O)CNS(=O)(=O)NC 1227742222 MWSWCDUEKFXVEA-VXGBXAGGSA-N 316.427 -0.920 30 20 DBED N#CCNC(=O)CN1CCC(NC(=O)Cc2cnc[nH]2)CC1 1229356130 WXFRMHFPUCLEDR-UHFFFAOYSA-N 304.354 -0.827 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC(NC(=O)c2ncccn2)CC1 1229707489 NQTIDEXOTKJRGJ-LBPRGKRZSA-N 315.377 -0.191 30 20 DBED C=CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)[C@H](C)NC(C)=O 1230658667 DMBSUNZOUHNEPD-WCQYABFASA-N 310.398 -0.654 30 20 DBED Cc1ccnc(C(=O)N(C)C[C@@H]2CCN2CC(=O)NCC#N)n1 1234040178 UFKDLMPLKCECOS-LBPRGKRZSA-N 316.365 -0.429 30 20 DBED C=CCOCC(=O)NCCCN(C)CCN(C)S(C)(=O)=O 1235668677 FGXUCZSWSHLGPX-UHFFFAOYSA-N 321.443 -0.482 30 20 DBED C#CCC[C@@H](O)CNS(=O)(=O)C[C@@H]1CCCS(=O)(=O)C1 1261580094 IWONKABGQDBKBZ-VXGBXAGGSA-N 323.436 -0.495 30 20 DBED NC(=O)[C@@H]1CN(c2nnnn2CC#Cc2ccccc2)CCO1 1262430695 VPBUPZFFVHRYLU-ZDUSSCGKSA-N 312.333 -0.585 30 20 DBED C=CCn1c([C@@H](O)COC)nnc1N1CCN(C(C)=O)CC1 1262997377 CLNOUEGEPRJEED-LBPRGKRZSA-N 309.370 -0.188 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)c2cc[n+]([O-])cc2)C1 1317052789 XJHVGUGAILJVRW-ZDUSSCGKSA-N 304.350 -0.574 30 20 DBED C#CCOc1cccc(NC(=O)C(=O)NCC2(CO)COC2)c1 1319994863 DMPFKJSTRPSGSD-UHFFFAOYSA-N 318.329 -0.238 30 20 DBED C[C@H]1CN(C(=O)C(=O)NCc2ccc(C#N)cc2)C[C@H](CO)O1 1322161334 DSIYWIYGUHIDDC-SMDDNHRTSA-N 317.345 -0.217 30 20 DBED CCN(CC(=O)NC)C(=O)CCN/C(O)=C1/N=CC=CC1=O 1323411620 ONIQTELYFBHRQA-YPKPFQOOSA-N 308.338 -0.503 30 20 DBED C=C[C@@H](COC)NS(=O)(=O)N1CCC(C(=O)OC)CC1 1324015707 JZYOZXXPQUJKSU-NSHDSACASA-N 306.384 -0.093 30 20 DBED CC(C)(CO)CCCNC(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1326849946 UXZJCPKCAAHHIX-HNNXBMFYSA-N 311.382 -0.222 30 20 DBED C#CCOCCNC(=O)C(=O)NC[C@H]1Cc2ccccc2CN1 1331141771 XJUQRIWFQCORQI-OAHLLOKOSA-N 315.373 -0.417 30 20 DBED C#CCNC(=O)C1CCN(c2nnnn2CCOCCF)CC1 1335079467 JHCJFIPGGQLLOV-UHFFFAOYSA-N 324.360 -0.375 30 20 DBED CO[C@@H]1CCN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1 1335488876 BGFGEFVMXAVUEU-CHWSQXEVSA-N 306.366 -0.568 30 20 DBED C#CCNC(=O)C1CCN(c2nnnn2C2CCOCC2)CC1 1340328783 ZLUABNXRYJEBKA-UHFFFAOYSA-N 318.381 -0.010 30 20 DBED C#CCCCNC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N 1342393766 ZUVIWRCNPFAVIP-UHFFFAOYSA-N 316.365 -0.216 30 20 DBED C[C@H](NC(=O)C(=O)N1CCC(C#N)CC1)[C@H]1CN(C)CCO1 1343131408 PEKOYQRUBWNTSQ-WCQYABFASA-N 308.382 -0.416 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N2CCN3C[C@@H](F)C[C@H]3C2)CCO1 1364127858 MUFMGAOGUBLTCI-SDDRHHMPSA-N 318.374 -0.816 30 20 DBED C=C(Cl)CN1CC(NC(=O)CS(=O)(=O)CCOC)C1 1373437347 XEUSFEJSENTVRU-UHFFFAOYSA-N 310.803 -0.400 30 20 DBED N#Cc1ccc(CN2CC[C@H]2CNC(=O)Cn2cnnn2)cc1 1379942398 LYDJSSZTIZUXIO-AWEZNQCLSA-N 311.349 -0.065 30 20 DBED C[C@H](C#N)C(=O)N(C)C[C@H]1CCCN1C(=O)CN1CCOCC1 1380222742 ZHKCGHKMXZVHJH-ZIAGYGMSSA-N 322.409 -0.072 30 20 DBED CCN(CC)C(=O)[C@H](C)N1CC(O)(CNC(=O)[C@@H](C)C#N)C1 1380580577 IOBCXCHVBHYYGQ-RYUDHWBXSA-N 310.398 -0.434 30 20 DBED C[C@H](CN(C)C(=O)Cn1cnnn1)NC(=O)c1c[nH]c(C#N)c1 1383649550 LHHDOGMYYXRAOI-SECBINFHSA-N 316.325 -0.850 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1ccc2n[nH]cc2c1 1392157530 HQSYOSZMDAYMLZ-CABZTGNLSA-N 315.333 -0.071 30 20 DBED C=C(Cl)CNC[C@H]1CCCN1C(=O)[C@@H]1CC(=O)NC(=O)N1 1402054834 MRIXEVLAGZQSAY-ZJUUUORDSA-N 314.773 -0.082 30 20 DBED C=C(Br)CN[C@H](C)CNC(=O)CNC(=O)NC 1402886798 CRMIGTNHXNHPSZ-MRVPVSSYSA-N 307.192 -0.082 30 20 DBED CNC(=O)NCC(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 1407088187 LMYDKYJZIQNZED-SNVBAGLBSA-N 318.337 -0.854 30 20 DBED CC[C@H](CNC(=O)c1cn(C)c(=O)n1C)NC(=O)[C@@H](C)C#N 1409305479 JLRQNOPPNLOOTI-VHSXEESVSA-N 307.354 -0.492 30 20 DBED N#Cc1cnn2c(O)cc(CN3C[C@@H](CO)[C@H](CO)C3)nc12 1413035262 LEPABDCOGIEKGS-QWRGUYRKSA-N 303.322 -0.661 30 20 DBED C[C@H](NC(=O)CS(C)(=O)=O)C1CN(C(=O)[C@H](C)C#N)C1 1424473765 MFWVQJJAPVTWCK-BDAKNGLRSA-N 301.368 -0.846 30 20 DBED CCN(C)CCC(=O)NC[C@@H](O)CNC(=O)c1cc(C#N)c[nH]1 1431517143 LGWXSNREJMVREQ-GFCCVEGCSA-N 321.381 -0.565 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(CC(=O)NCCC(C)(C)C)C1 1440038203 JLSYRRXJACJVCA-LBPRGKRZSA-N 324.425 -0.139 30 20 DBED CCN(CCC#N)C(=O)CN(C)C[C@@H](C)NC(=O)c1cnn[nH]1 1445766127 SPBMXYYYNJGOGY-LLVKDONJSA-N 321.385 -0.383 30 20 DBED N#Cc1ccc(OCC(=O)NC[C@@]2(O)CCS(=O)(=O)C2)cc1 1449705950 YVBGKYIXQLHBFL-AWEZNQCLSA-N 324.358 -0.397 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N1CC[C@H]2OCC(=O)N[C@@H]2C1 1463838381 VZGVWYHNGDATCA-HBNTYKKESA-N 316.383 -0.946 30 20 DBED CC[C@@H](O)[C@H]1CCCCN1C(=O)Cn1cc(C#N)c(O)nc1=O 1469615023 HTQVPUPEXDFYFM-VXGBXAGGSA-N 320.349 -0.027 30 20 DBED Cn1cc(S(=O)(=O)N2CC[C@](F)(C#N)C2)c(O)nc1=O 1475199478 LHVHQXHCDGHHBS-JTQLQIEISA-N 302.287 -0.888 30 20 DBED C[C@@H](C#N)C(=O)NC1CN(C(=O)CNC(=O)c2ccccn2)C1 1530618060 KOUUHJCOMPCRNE-JTQLQIEISA-N 315.333 -0.702 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](C)CNc1nccnc1-c1nn[nH]n1 1574838215 YAWFBAQRAMSBNQ-BDAKNGLRSA-N 315.341 -0.019 30 20 DBED C#CCN(CC(=O)O)c1nnc(C2(O)CC2)n1C[C@H]1CCCO1 1588426993 JLCSAVCFXYGBCB-LLVKDONJSA-N 320.349 -0.037 30 20 DBED C#CCOCCC(=O)N(C)CCN=c1cc[nH]c(C(=O)O)n1 1588490180 IIPJHQVKBXFXKN-UHFFFAOYSA-N 306.322 -0.493 30 20 DBED C[C@@H](C(=O)N[C@H](C(=O)O)c1ccnn1C)n1cnc(C#N)n1 1588552315 RXMMRHXMKAMAGS-XVKPBYJWSA-N 303.282 -0.614 30 20 DBED N#Cc1nc(NC(=O)c2coc(CO)c2)[nH]c1-c1nn[nH]n1 1592681842 LAFHGIQREAYUEL-UHFFFAOYSA-N 300.238 -0.201 30 20 DBED N#Cc1nc(NC(=O)Cn2ccccc2=O)[nH]c1-c1nn[nH]n1 1592682797 CRWHJPJZSSSZEF-UHFFFAOYSA-N 311.265 -0.738 30 20 DBED C[C@@H]1C[C@@]1(C(=O)O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1594226499 QTKNDSBTAFFWFL-PRLCAMESSA-N 307.306 -0.260 30 20 DBED C#CCN1C[C@@H]2C(CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)[C@H]2C1 1602718647 ZBRXNWMVVUIXNO-VXGBXAGGSA-N 311.349 -0.264 30 20 DBED COC1(CS(=O)(=O)N(CC#N)CCC(=O)O)CCOCC1 1606720817 QUGANXJYYGWAKA-UHFFFAOYSA-N 320.367 -0.188 30 20 DBED N#CCN(CC(=O)O)C(=O)c1ccc2c(c1)C(=O)NCCO2 1608183978 NMGNHTIARGMEQE-UHFFFAOYSA-N 303.274 -0.141 30 20 DBED N#C[C@@]12CN(C[C@H]3[C@@H](C(=O)O)C3(F)F)C[C@@H]1CS(=O)(=O)C2 1608190527 SUIHZSYTNLSMPX-HJGDQZAQSA-N 320.317 -0.178 30 20 DBED C=CCO[C@H]1CCN(C(=O)C(=O)N2CCO[C@H](C(=O)O)C2)C1 1609636831 JTHZPFYTGDWBCR-QWRGUYRKSA-N 312.322 -0.898 30 20 DBED C[C@@H](C#N)OCCN(C)CC(=O)N[C@H]1CCS(=O)(=O)C1 1649794317 WGYKVMROYZIRDG-QWRGUYRKSA-N 303.384 -0.850 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCN(Cc2nc(COC)no2)C1 1713969849 IOESVRSIBYTDOF-GFCCVEGCSA-N 322.365 -0.054 30 20 DBED C#CCNC(=O)[C@H](C)N(CC)CCCNC(=O)[C@@H]1COC(=O)N1 1752180116 AYAREYQYZSEOHG-RYUDHWBXSA-N 324.381 -0.939 30 20 DBED CN(C(=O)CCNS(C)(=O)=O)C1CCN(CC#N)CC1 1752301409 MMRYVZWQAIKPGS-UHFFFAOYSA-N 302.400 -0.628 30 20 DBED CC(C)CNC(=O)NC(=O)CN(C)CCNC(=O)C#CC1CC1 1753048950 LNZYRYKZVURHRQ-UHFFFAOYSA-N 322.409 -0.070 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2CCN(CC(=O)NCC)C2)nn1 1753135489 LSJPXYFFGRSXEY-LBPRGKRZSA-N 320.397 -0.348 30 20 DBED C=CCC[C@@H](C)N1CC[C@H](NC(=O)C[C@H](NC(C)=O)C(N)=O)C1 1753428655 LHFMPLAOZLPXIA-XBFCOCLRSA-N 324.425 -0.088 30 20 DBED C=CCNC(=O)CNC[C@H](C)N(C)C(=O)c1cc2n(n1)CCO2 1753697662 YGIZTVSYADGWMO-NSHDSACASA-N 321.381 -0.372 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)C2CCOCC2)C[C@H]1C 1753751035 LCTLXEXHPUZYLJ-HIFRSBDPSA-N 321.421 -0.011 30 20 DBED C=CCNC(=O)CNCCN(CC)C(=O)[C@H]1CCNC(=O)CC1 1754059429 YDZNPNLZUZYASB-CYBMUJFWSA-N 324.425 -0.357 30 20 DBED N#CCNC(=O)CNC[C@@H]1CCCN1C(=O)Cc1ccon1 1754607105 PSSQKLRQDBGQFU-LBPRGKRZSA-N 305.338 -0.563 30 20 DBED C=CCCN1CC[C@@](O)(CNC(=O)CCCS(N)(=O)=O)C1 1754754479 LHDNKLSLYDYHRX-CYBMUJFWSA-N 319.427 -0.816 30 20 DBED C#CCCNCCN(CCO)C(=O)[C@@H]1CCC[C@@H](C(N)=O)C1 1754892899 DBHBZOYBULAIIN-ZIAGYGMSSA-N 309.410 -0.288 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@@H](C)CNC(=O)c1cncnc1O 1755305248 LXMCTIJLOPYJOS-WDEREUQCSA-N 319.365 -0.630 30 20 DBED C[C@H](NCC(=O)NCC#N)[C@@H]1CN(C(=O)C(C)(C)F)CCO1 1755438045 HSHNWQWYCBYSJY-QWRGUYRKSA-N 314.361 -0.420 30 20 DBED C#CCNC(=O)CN[C@@H](CO)CNC(=O)[C@@H]1CC12CCCC2 1755643350 JVIUKNHUCQQWKL-OLZOCXBDSA-N 307.394 -0.617 30 20 DBED C#CCCN(C)C[C@H](O)CN(C)C(=O)CN1CCCCC1=O 1755803435 UWLYIVBZNGGUNY-AWEZNQCLSA-N 309.410 -0.227 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H](C)N(C)C(=O)C1=COCCO1 1756026185 AXWDSLZBSCFSKG-VXGBXAGGSA-N 310.350 -0.124 30 20 DBED COc1cccc(C(=O)N[C@@H](CO)CNC(=O)C#CC(C)C)n1 1756516974 CBJDXQFZSWEGDN-GFCCVEGCSA-N 319.361 -0.044 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H](O)CN(C)C(=O)c1ncccn1 1756676554 JMIVEONKDSPUGU-RYUDHWBXSA-N 320.349 -0.936 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)CC(C)(C)O)C[C@H]1OC 1757120191 OZRFMBCPHUJYDE-VXGBXAGGSA-N 314.382 -0.308 30 20 DBED C=C1CC(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H](N)CN)C1 1796778554 MYNOTZJSPTXKIS-CRWXNKLISA-N 306.410 -0.123 30 20 DBED C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C[C@@H](NC)C(=O)O)C2 1801597650 PPOPTLJZIKEJGV-WRWGMCAJSA-N 307.350 -0.680 30 20 DBED C=CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)[C@@H](C)NC=O)C1 1845176820 ROROCDSBLMONRB-CHWSQXEVSA-N 323.393 -0.085 30 20 DBED C[C@@H]1CC[C@H](C(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)O1 1846195562 GCFLGHXBTOWGSW-VXGBXAGGSA-N 320.345 -0.155 30 20 DBED CC(C)(CNC(=O)CN1CCO[C@H](C#N)C1)N1CCOCC1 106306182 IAKWRGLCVJTUSD-CYBMUJFWSA-N 310.398 -0.562 30 20 DBED C#CC[C@H](NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)C(=O)O 149651379 MLKLCYMHODWJJY-UWVGGRQHSA-N 302.352 -0.749 30 20 DBED COC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1cccc(C#N)c1 157084873 XDOHKYIODUBOEC-PWSUYJOCSA-N 310.331 -0.145 30 20 DBED C=CCN(CCOC)[C@@H](C)C(=O)N[C@H]1CCS(=O)(=O)C1 191106538 ZODWJYKWBJBSNL-RYUDHWBXSA-N 304.412 -0.187 30 20 DBED C#C[C@H](C)NS(=O)(=O)c1cccc(S(=O)(=O)NC)c1 193513757 ZVXFVGUKXWCUBN-VIFPVBQESA-N 302.377 -0.105 30 20 DBED Cn1nncc1C/N=C(/N)N1CCN(c2ncccn2)CC1 262242966 ALXHQMADRJGTPF-UHFFFAOYSA-N 301.358 -0.758 30 20 DBED CN1CCC(O)(CNS(=O)(=O)c2ccc(C#N)nc2)CC1 269790681 QPJKHXKVKLLWCT-UHFFFAOYSA-N 310.379 -0.312 30 20 DBED COC[C@@H](O)CNC(=O)C(=O)N1CCc2ccc(C#N)cc21 270194675 NZMZPFKGIPVPDN-LBPRGKRZSA-N 303.318 -0.429 30 20 DBED C#CCN(C(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)C1CC1 274012428 GXKBWUWGARNBCJ-HBJVGIJOSA-N 302.330 -0.227 30 20 DBED CN1CCO[C@H](C/N=C(/O)CCSc2nnnn2C)C1 328756684 UIQYFRYUZPOPEF-SECBINFHSA-N 300.388 -0.021 30 20 DBED CCN1CCN(/C(O)=N/CCC(=O)N2CCOCC2)CC1=O 329680773 RNNDXPBADHABSB-UHFFFAOYSA-N 312.370 -0.687 30 20 DBED CC[C@H](O)CN1CCN(/C(O)=N/C[C@H]2COCCO2)CC1 329758428 NOFRLVUGDIWSJN-STQMWFEESA-N 301.387 -0.296 30 20 DBED COC(=O)C(C)(C)CN/C(O)=N/C[C@@H]1CN(C)CCN1C 330924275 FHYMQZPVUJJWAQ-LLVKDONJSA-N 300.403 -0.065 30 20 DBED CN1CCO[C@@H]2CN(C(=O)C(=O)Nc3ccc(C#N)cn3)C[C@H]21 332264434 FCLXUUYECBOEGO-VXGBXAGGSA-N 315.333 -0.567 30 20 DBED COCCN(CCC#N)S(=O)(=O)N(C)CC(=O)N(C)C 336894942 METBHTTWPZCWLZ-UHFFFAOYSA-N 306.388 -0.887 30 20 DBED CC[C@@H](C#N)NC(=O)Cn1ccc2c(=O)n(C)c(=O)n(C)c21 345149090 MCAQCNPYOSKJKD-VIFPVBQESA-N 303.322 -0.543 30 20 DBED CC(C)N1C(=O)C[C@@H](NC(=O)CNc2ccc(C#N)cn2)C1=O 345311184 ZDCJZKHAWPKYHB-LLVKDONJSA-N 315.333 0.017 30 20 DBED CCS(=O)(=O)N(C)CCCNS(=O)(=O)CC1(C#N)CC1 361497909 GMFKSKZDZSGBEH-UHFFFAOYSA-N 323.440 -0.119 30 20 DBED N#Cc1ccc(NC(=O)C(=O)NCC(=O)NCC(F)F)cc1 362320437 PNWHWIXPKIBRIX-UHFFFAOYSA-N 310.260 -0.006 30 20 DBED CN(C)S(=O)(=O)NCCNc1ncc2c(c1C#N)CCC2 425255415 PMQTZHQFWXBAFW-UHFFFAOYSA-N 309.395 0.250 30 20 DBED N#Cc1ccnc(N2CCN(S(N)(=O)=O)CC2)c1Cl 429209410 DHQLNJULEMOENV-UHFFFAOYSA-N 301.759 -0.068 30 20 DBED C#CCN(C)CCCNC(=O)[C@H](NS(C)(=O)=O)C(C)C 491657420 IVDCNNDHEVZJFA-GFCCVEGCSA-N 303.428 -0.369 30 20 DBED CNS(=O)(=O)[C@H]1CCN(c2nccc(C#N)c2[N+](=O)[O-])C1 532756194 OORMTTLELCPSQJ-VIFPVBQESA-N 311.323 -0.011 30 20 DBED COC(=O)CCN1CC[C@H](NC(=O)c2ccc(C#N)cn2)C1=O 534306519 BFHGCYZLYDRZIZ-LBPRGKRZSA-N 316.317 -0.153 30 20 DBED COc1cc(C#N)ccc1S(=O)(=O)N1CCN(C)C[C@@H]1CN 565044356 OAMMIQZEOPSSQO-LBPRGKRZSA-N 324.406 -0.170 30 20 DBED CN(C)C[C@@](C)(C#N)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O 578413714 HEMIDFXGIHQLIU-CYBMUJFWSA-N 307.310 -0.283 30 20 DBED N#CCNC(=O)CNC(=O)N(CCO)CCc1ccccc1 588747624 UYOMNFYGSJFGNB-UHFFFAOYSA-N 304.350 -0.127 30 20 DBED CCOC(=O)c1cnn([C@@H]2CCN(CC(=O)O)C2=O)c1C#N 596012641 LNALTDQXXLCJEW-SECBINFHSA-N 306.278 -0.211 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(CC)C[C@H]2CCOC2)C1=O 623192392 FCASBGHXPXDLKZ-LLVKDONJSA-N 323.349 -0.152 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cnn(CCF)c2)C1=O 628761635 SMQIKLDEIZWWTF-UHFFFAOYSA-N 323.284 -0.232 30 20 DBED C=CCC1(O)CCN(C(=O)[C@H](N)CCS(C)(=O)=O)CC1 717875044 DUFLFWBIHSTUNK-LLVKDONJSA-N 304.412 -0.322 30 20 DBED C=CCCCC(=O)OCC(=O)c1c(N)n(C)c(=O)n(C)c1=O 748227435 SCGZADDFAISKQJ-UHFFFAOYSA-N 309.322 -0.252 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)CNS(=O)(=O)CCCC 760685656 AOOVWMAWBYZDMN-JTQLQIEISA-N 304.368 -0.613 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N1CCOC[C@@H]1C[C@H](C)O 768429754 TWVGDCODIJUOMA-RYUDHWBXSA-N 320.411 -0.232 30 20 DBED N#Cc1ccc([C@@H](O)CN2CCN3C(=O)NC(=O)[C@H]3C2)cc1 778954470 WZLXRYFNBXDKTQ-OLZOCXBDSA-N 300.318 -0.172 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N(C)[C@@H]1CCN(C)C1=O 783307951 BRPLWHFXHCUCJY-SNVBAGLBSA-N 303.384 -0.541 30 20 DBED C#CCNC(=O)CNc1cccc(C(=O)N(C)CC(N)=O)c1 789682311 YPJAFGTXPOXCSR-UHFFFAOYSA-N 302.334 -0.595 30 20 DBED N#C[C@H]1CN(S(=O)(=O)NCCOc2cccnc2)CCO1 800053982 OMVFEBHNLKJJJC-LBPRGKRZSA-N 312.351 -0.481 30 20 DBED CCCc1nnc(S)n1CC(=O)NCCn1cnc(C#N)n1 804619281 DRRIUKGNDNXRAZ-UHFFFAOYSA-N 320.382 -0.201 30 20 DBED C#CCCS(=O)(=O)NC(=O)c1ccccc1OCC(N)=O 810779908 GQZGRQXXWGABBE-UHFFFAOYSA-N 310.331 -0.366 30 20 DBED O=C1C[C@H](C(F)(F)F)[C@H](C(=O)N[C@@H]2CCCN(O)C2=O)CN1 823160598 HRTFHHAFHVGAGE-GJMOJQLCSA-N 323.271 -0.203 30 20 DBED CNS(=O)(=O)c1ccc(S(=O)(=O)O[C@H]2CNOC2)cc1 845932328 RTXTZIYGOQNLJH-QMMMGPOBSA-N 322.364 -0.797 30 20 DBED C#CCOc1cccc(NC(=O)C(=O)NC(C)(CO)CO)c1 845965301 VXBACMQRGNPMHM-UHFFFAOYSA-N 306.318 -0.503 30 20 DBED C#CCCOC(=O)N1CCN(C(=O)CN2CCOCC2)CC1 858888324 LEBLFSCBMSGZQG-UHFFFAOYSA-N 309.366 -0.377 30 20 DBED N#Cc1ccccc1CN1CC(S(=O)(=O)N2CCNCC2)C1 923437265 OOTAPTOQAHDHEP-UHFFFAOYSA-N 320.418 -0.023 30 20 DBED C=CCn1cc(C(=O)N2CC[C@@H](NC(=O)c3ncc[nH]3)C2)nn1 940312262 MYMJOUGGLYESHG-SNVBAGLBSA-N 315.337 -0.168 30 20 DBED Cc1nc(CC(=O)N[C@@H]2[C@H]3C[C@H]2N(C(=O)C#CC2CC2)C3)n[nH]1 947092662 CJHLRBGNVYYXNN-HWWQOWPSSA-N 313.361 -0.215 30 20 DBED N#CCN1CCOC2(CCN(C(=O)[C@@H]3CCC(=O)NC3)CC2)C1 949405801 JWXYZVOBOFGLOY-CYBMUJFWSA-N 320.393 -0.270 30 20 DBED CC#CCN1CCOC2(CCN(C(=O)[C@H]3CCNC3=O)CC2)C1 949433182 GYEXZMHKAGNXPL-AWEZNQCLSA-N 319.405 -0.161 30 20 DBED CCN1CCO[C@@H](C(=O)N(C)C2CN(C(=O)[C@H](C)C#N)C2)C1 954426768 YTIACTZSOVPLIT-DGCLKSJQSA-N 308.382 -0.464 30 20 DBED C[C@@H](C#N)C(=O)N1CC(N(C)C(=O)[C@H]2CCN(C)C(=O)C2)C1 954716671 LSHFJFDUDYTPGY-QWRGUYRKSA-N 306.366 -0.316 30 20 DBED C=C(Cl)CN1C[C@H](CNC(=O)c2nnn(C)c2C)[C@@H](O)C1 957952910 IOFLAIALUZDNPG-QWRGUYRKSA-N 313.789 -0.101 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](CNC(=O)C2CN(C(C)=O)C2)C1 958013845 CXDYDAYJVGLKML-HIFRSBDPSA-N 309.410 -0.160 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2occc2CN(C)C)C1 958345591 PFZUQSAAUGKPHU-UONOGXRCSA-N 305.378 -0.003 30 20 DBED CC[C@@H](F)C(=O)N1C[C@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 962118680 OBOBDUQCAGKGKE-JLLWLGSASA-N 308.313 -0.064 30 20 DBED CC1(C(=O)N2C[C@H](O)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)CC1 962342620 RASOJLFFEBOUBO-NEPJUHHUSA-N 302.334 -0.012 30 20 DBED CCc1nnsc1C(=O)N[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1O 968594081 QMIQFRRDALHLIR-QNSHHTMESA-N 323.378 -0.438 30 20 DBED C#CCCN1CCO[C@@]2(CCN(C(=O)c3cc(=O)n(C)o3)C2)C1 972354068 WUBLCRYWDIKZCP-INIZCTEOSA-N 319.361 -0.082 30 20 DBED CC#CCN1CCO[C@]2(CCN(C(=O)[C@@H]3CCC(=O)N3C)C2)C1 972502346 OUHINUCUAMYXIR-WMLDXEAASA-N 319.405 -0.066 30 20 DBED N#Cc1c[nH]c(C(=O)NC2C[C@@H]3CC[C@H](C2)N3C(=O)C(N)=O)c1 973599193 MIILLSMFNHULCZ-FGWVZKOKSA-N 315.333 -0.377 30 20 DBED N#Cc1cc(C(=O)N2CC[C@@H]3CN(C(=O)C(N)=O)[C@@H]3C2)c[nH]1 974965509 PDSQQWYCQXPUAN-LDYMZIIASA-N 301.306 -0.955 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)c3cc(=O)n(C)o3)C[C@H]21 974974830 MPTBCXFUEKNDJF-GMTAPVOTSA-N 318.333 -0.189 30 20 DBED C#CCCN1C[C@H](NC(=O)C[C@@H]2CC(=O)NC2=O)C(C)(C)C1 977685008 SVQDSJLILDDPSN-NEPJUHHUSA-N 305.378 -0.111 30 20 DBED COCCN1C[C@H](C(=O)NCC2[C@@H]3CN(CC#N)C[C@@H]23)CC1=O 978240532 HHHYPBZKUFHNPZ-XBFCOCLRSA-N 320.393 -0.701 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](CNCc2nnn(C)n2)C1 984826603 XMVMFLPHVTUHCX-LPWJVIDDSA-N 320.397 -0.214 30 20 DBED C[C@@H]1C[C@@H](NCc2nnnn2C)CN1C(=O)c1cc(C#N)c[nH]1 988504397 XVFIOGYHUNNVLF-MWLCHTKSSA-N 314.353 -0.197 30 20 DBED C=CCCn1cc(C(=O)N[C@H]2CCCN(CC(N)=O)[C@@H]2C)nn1 993991592 VDBIBEKHRFANIS-NEPJUHHUSA-N 320.397 -0.078 30 20 DBED C[C@@H](NC(=O)c1cn(C)c(=O)nc1O)C1CCN(CC#N)CC1 997420780 NEKAQTIWTPHRIH-SNVBAGLBSA-N 319.365 -0.160 30 20 DBED Cn1cncc1C(=O)NCc1cn([C@H]2CCN(CC#N)C2)nn1 1000002192 IFHNNAJYYOFJCA-LBPRGKRZSA-N 314.353 -0.288 30 20 DBED N#CCN[C@@H]1CCCN(C(=O)c2cn([C@@H]3CCOC3)nn2)C1 1000646722 BGJRMPYNCVQZIR-VXGBXAGGSA-N 304.354 -0.043 30 20 DBED CCC(=O)N1CCC(=O)NCCN(C(=O)C#CC2CC2)CC1 1001695006 NJSZEMNJMQQILC-UHFFFAOYSA-N 305.378 -0.013 30 20 DBED C#Cc1cncc(C(=O)N(C)C[C@H]2CCCN2C(=O)C(N)=O)c1 1002915435 UOVMUTSZOXPKBP-CYBMUJFWSA-N 314.345 -0.389 30 20 DBED C#CCN1CCC[C@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 1008123635 PMABFULPLQKRRF-NSHDSACASA-N 314.353 -0.479 30 20 DBED C[C@H](NC(=O)c1cnon1)[C@H]1CN(C(=O)C#CC2CC2)CCO1 1009698147 UUMOFGAUWQHEQW-GXFFZTMASA-N 318.333 -0.171 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C(=O)C[C@@H]2CCN(C)C2=O)CC1 1011275962 LXAJSQSOMRYSJZ-RYUDHWBXSA-N 306.366 -0.315 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H](C)C#N)CC1 1011314119 DELWRIYLMOIXDD-KGLIPLIRSA-N 302.378 -0.086 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2CCCN(C(=O)C(N)=O)[C@H]2C)cn1 1015108634 QMBUOLBQGZLAES-GWCFXTLKSA-N 314.345 -0.343 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@H](N[C@@H]2CCN(C)C2=O)C1 1018984969 HHXCDSIRUMRVQK-ZNMIVQPWSA-N 318.421 -0.495 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCN(C(=O)[C@@H]3CN(C)CCO3)C2)C1 1019362031 YNQTXVLCLTUPFI-STQMWFEESA-N 320.393 -0.462 30 20 DBED Cn1nnc(CN[C@H]2C[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)n1 1020088457 MNNRUBDYQQEARN-MGCOHNPYSA-N 300.326 -0.540 30 20 DBED C=CCn1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)C(C)C)C2)nn1 1023087880 JQYSXEALRQWLPL-ZYHUDNBSSA-N 307.354 -0.578 30 20 DBED C=CCCN1CCC[C@H](CNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 1023621299 KLVUBOWVQGLOIL-NEPJUHHUSA-N 308.382 -0.011 30 20 DBED C#CCN1CCC(C(=O)NC[C@@H]2CCCCN2CC(N)=O)CC1 1024813317 YYWCWAQYSDAHJA-HNNXBMFYSA-N 320.437 -0.212 30 20 DBED CC#CCN1CC[C@@H](CNC(=O)[C@H]2CN(C(C)=O)CCO2)C1 1028962779 BNYQNOJTTMVWHO-LSDHHAIUSA-N 307.394 -0.305 30 20 DBED C=CCN1CC(CNC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 1031669957 ZBUCDIIXHMOLIX-LBPRGKRZSA-N 303.366 -0.003 30 20 DBED C#CCCN1CC(CNC(=O)c2coc(S(N)(=O)=O)c2)C1 1031778630 SLIQMQRHYSSORH-UHFFFAOYSA-N 311.363 -0.388 30 20 DBED CC#CCN1C[C@@H]2C[C@H]1CN2C(=O)CCN1C(=O)CCC1=O 1032505734 MSOGQVJOWWJAFS-STQMWFEESA-N 303.362 -0.166 30 20 DBED C#CCN1C[C@@H]2C[C@H]1CN2C(=O)c1nc(C)n(-c2nc[nH]n2)n1 1032551317 QTAZGJSQSTZLRO-QWRGUYRKSA-N 312.337 -0.774 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2CN(C[C@H](C)O)CCO2)nc1 1035584617 XGZVWIIAHMMTHM-GXTWGEPZSA-N 303.362 -0.126 30 20 DBED C[C@H](C#N)C(=O)N1CCC2(CC1)CN(Cc1nc(=O)n(C)[nH]1)C2 1035672132 GLXVECWMIJOIRI-LLVKDONJSA-N 318.381 -0.308 30 20 DBED Cn1cc(C(=O)N2CC[C@@H]3[C@H](CCN3CC#N)C2)ncc1=O 1036775888 BWJLDVYTRDAUFR-DGCLKSJQSA-N 301.350 -0.160 30 20 DBED C=C(Cl)CN1C[C@H]2C[C@H]1[C@H]2NC(=O)CN1CCNC(=O)C1 1037544585 OJRVISVJPHPCOM-SUNKGSAMSA-N 312.801 -0.640 30 20 DBED C#Cc1cncc(C(=O)NC[C@@H]2CCN2Cc2nnn(C)n2)c1 1038685721 WKKFELYALYLXEL-ZDUSSCGKSA-N 311.349 -0.409 30 20 DBED Cn1cnc(C(=O)N2[C@H]3CC[C@H]2CN(CC#N)CC3)cc1=O 1039388507 VXFVXURGSFXZGT-RYUDHWBXSA-N 301.350 -0.017 30 20 DBED C=CCOCC(=O)N1CC[C@](O)(CNC(=O)c2ncc[nH]2)C1 1039660193 QZBHXTYLCCNHQL-AWEZNQCLSA-N 308.338 -0.695 30 20 DBED CC(C)C#CC(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2CCCO2)C1 1039664061 KDNXBSPACDUCKL-XJKSGUPXSA-N 308.378 -0.096 30 20 DBED C=CCO[C@@H](C)C(=O)NC[C@]1(O)CCN(C(=O)c2cnon2)C1 1040161330 MBZKQIKCWGTEIF-IINYFYTJSA-N 324.337 -0.646 30 20 DBED C[C@H]1[C@@H](N=c2cc[nH]cc2C#N)CCN1C(=O)[C@H]1CNC(=O)N1 1040233542 DNFSKDFYDJKSFL-XHVZSJERSA-N 314.349 -0.542 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC[C@](O)(CNC(=O)c2cnco2)C1 1040383408 LMQAGRRNBVLQOB-NHYWBVRUSA-N 323.349 -0.041 30 20 DBED CCN(C)CCC(=O)NC[C@]1(O)CCN(C(=O)[C@H](C)C#N)C1 1040901411 IOBXMLUIMWAWCW-IUODEOHRSA-N 310.398 -0.433 30 20 DBED C#CCOCCC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2CC23CC3)C1 1041024670 UAEAILCPBBZXMT-GUYCJALGSA-N 320.389 -0.094 30 20 DBED CS[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2cc(C#N)c[nH]2)C1 1041620382 UMKSNRYNZPFCFL-VIFPVBQESA-N 322.390 -0.059 30 20 DBED C=CCOCCCC(=O)N1CC(O)(CNC(=O)c2cocn2)C1 1042047328 NQMXGDUQYFBJGR-UHFFFAOYSA-N 323.349 -0.040 30 20 DBED CCCN1CCC[C@@H]1C(=O)NCC1(O)CN(C(=O)[C@@H](C)C#N)C1 1043416252 VGJHEZLVLUXZCL-QWHCGFSZSA-N 322.409 -0.290 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)CCc2nc[nH]n2)C1 1044455772 KMFYRHXPNINOHH-UHFFFAOYSA-N 321.381 -0.361 30 20 DBED C=CCN1CC[C@@H](N2CC[C@](C)(NC(=O)c3nc[nH]n3)C2)C1=O 1046712430 WBSBUYCWZZYIMO-ABAIWWIYSA-N 318.381 -0.214 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2c3c(nn2C)CCC3)C1 1047594969 PYTUBJQNCNDQRX-KBPBESRZSA-N 302.378 -0.341 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC(=O)N(C)C2)C1 1047640161 KRZSLQPXBHTUFC-IHRRRGAJSA-N 307.394 -0.618 30 20 DBED CCOCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C#CC2CC2)C1 1048821192 IQMSDNYTPVIOAK-KBPBESRZSA-N 308.378 -0.144 30 20 DBED C#CCC1(C(=O)N(C)[C@H]2CN(C(C)=O)C[C@@H]2O)CCOCC1 1048945707 JIFJJJZYKZGRDH-KBPBESRZSA-N 308.378 -0.144 30 20 DBED C#CCCCC(=O)N[C@H](C)[C@H]1CCN(C(=O)Cn2ncnn2)C1 1050809931 WDGCVTZDYISEPO-OLZOCXBDSA-N 318.381 -0.170 30 20 DBED N#Cc1cncc(N2CC[C@H](NC(=O)c3cc[nH]n3)[C@@H](O)C2)n1 1051610378 AXHCSMFFXFOUFE-JQWIXIFHSA-N 313.321 -0.559 30 20 DBED N#Cc1cnc(N2CC[C@H](NC(=O)c3cocn3)[C@H](O)C2)cn1 1051639639 RQZXZVZWVYEIJZ-CMPLNLGQSA-N 314.305 -0.294 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](C)[C@@H](CNC(=O)Cn2cnnn2)C1 1052529043 HUTRQKQXAKMEHZ-OLZOCXBDSA-N 318.381 -0.457 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCOC2(CN(C[C@H](C)O)C2)C1 1053291518 VCPZWMSGUBZJPP-GJZGRUSLSA-N 321.421 -0.622 30 20 DBED N#CCN1CC2(C1)CN(C(=O)c1cc3n(n1)CCCO3)CCO2 1053335617 HXKJBICOROYPEM-UHFFFAOYSA-N 317.349 -0.284 30 20 DBED C=CCN1CC2(C[C@@H](NC(=O)C[C@@H]3CC(=O)NC3=O)CO2)C1 1054025657 FAJFYAOPQVHXEF-GHMZBOCLSA-N 307.350 -0.815 30 20 DBED O=C(N[C@@]1(CO)CCCN(C(=O)C#CC2CC2)C1)[C@@H]1CCOC1 1055817955 UBMRYVDBCVSSNP-PBHICJAKSA-N 320.389 -0.094 30 20 DBED O=C(N[C@@]1(CO)CCCN(C(=O)C#CC2CC2)C1)c1cnn[nH]1 1056005828 SEWGAKXVFKKOIU-HNNXBMFYSA-N 317.349 -0.699 30 20 DBED N#Cc1ccc(N2C[C@H]3[C@H](NC(=O)Cn4cncn4)[C@H]3C2)nn1 1056215333 DEQSCSKYXKVEAP-YABSGUDNSA-N 310.321 -0.809 30 20 DBED Cc1nc(N2C[C@@H]3C(NC(=O)Cn4ncnn4)[C@H]3C2)ccc1C#N 1056310069 PGFIJFOHKXWJDB-RYUDHWBXSA-N 324.348 -0.501 30 20 DBED CN(c1cnc(C#N)cn1)[C@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 1057033273 OCMQGSVMFMPEMU-TUAOUCFPSA-N 314.349 -0.493 30 20 DBED C=CCCOCC(=O)NCCN(CCO)C(=O)c1ccon1 1057096474 ZHLMOEBDSCYJTA-UHFFFAOYSA-N 311.338 -0.182 30 20 DBED N#Cc1cccnc1N1CCCN(C(=O)Cn2ncnn2)CC1 1057182674 VJKJNNPZYZQBHB-UHFFFAOYSA-N 312.337 -0.321 30 20 DBED COc1cncc(C(=O)N(CCO)CCNC(=O)[C@H](C)C#N)n1 1057577566 GKIDVRNZCOTLNH-SNVBAGLBSA-N 321.337 -0.804 30 20 DBED Cc1cc(C(=O)NCCN(CCO)C(=O)[C@H](C)C#N)n(C)n1 1058653407 UYUJEFKJEWNYIG-SNVBAGLBSA-N 307.354 -0.561 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)C[C@H]1CCCOC1 1058658724 KBTIKORVAPMDCM-QWHCGFSZSA-N 311.382 -0.100 30 20 DBED Cc1nnc(CC(=O)N2CC[C@H](N=c3cc[nH]c(C#N)n3)C2)o1 1058882321 JMRNZYIZYPBNFF-JTQLQIEISA-N 313.321 -0.283 30 20 DBED CC(C)C#CC(=O)NCC[C@H]1CCN(C(=O)Cn2cnnn2)C1 1059128756 CZNYCPLOVQADMW-ZDUSSCGKSA-N 318.381 -0.313 30 20 DBED Cn1ncc(C(=O)N2CC[C@H](CN=c3cc[nH]c(C#N)n3)C2)n1 1060891727 IONHNGQSXPOWTP-SNVBAGLBSA-N 312.337 -0.527 30 20 DBED N#Cc1cnc(N2CC[C@H](CNC(=O)[C@H]3COCCO3)C2)cn1 1061525707 NYWOLFOAOPONHL-DGCLKSJQSA-N 317.349 -0.294 30 20 DBED Cn1cc(C(=O)N2CCOC[C@H]2CNC(=O)C#CC2CC2)cn1 1061569906 OHRNORRNCAXUQZ-CQSZACIVSA-N 316.361 -0.209 30 20 DBED COc1nc(C(=O)N2CCOC[C@H]2CNC(=O)[C@H](C)C#N)co1 1061854326 YBUZZTHICMMNIB-NXEZZACHSA-N 322.321 -0.200 30 20 DBED Cn1cnc(C(=O)N2C[C@@H]3CC[C@H](C2)N3c2nccnc2C#N)n1 1061959172 UZAKPHRCTYQOHI-PHIMTYICSA-N 324.348 -0.030 30 20 DBED C=CCOCCCC(=O)N1CCCC[C@@H]1CNC(=O)C(N)=O 1062101073 XUADNPSSPBABKT-GFCCVEGCSA-N 311.382 -0.048 30 20 DBED C[C@@H](C#N)C(=O)N1CCCC[C@@H]1CNC(=O)C1(NC(N)=O)CC1 1062333294 MGBNBZNQRQZPEE-WDEREUQCSA-N 321.381 -0.156 30 20 DBED N#Cc1ccc(C(=O)NCC2(NC(=O)CC(N)=O)CCC2)[nH]1 1062813723 HYCYVOKMOSXSBH-UHFFFAOYSA-N 303.322 -0.470 30 20 DBED N#Cc1ccc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)Cn2cncn2)nn1 1064256949 LVBGHTWEILQIOP-PUYPPJJSSA-N 310.321 -0.667 30 20 DBED C=CCOCC(=O)N1CCO[C@H](CNC(=O)c2ccncn2)C1 1064972423 WXJWMGXSOBNSGA-GFCCVEGCSA-N 320.349 -0.364 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CN(C(=O)c2ccc(O)nc2)CCO1 1065608270 IZKYTPVOWZOGQN-CMPLNLGQSA-N 318.333 -0.096 30 20 DBED C[C@@H]1C[C@@H](CNc2ccc(C#N)nn2)CN1C(=O)CC(N)=O 1068302692 JSITWOMBGHLWMT-ZJUUUORDSA-N 302.338 -0.127 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCCN(C(=O)[C@H](O)C(C)C)C1 1070684225 WDFGZQUNWDOVPI-IUODEOHRSA-N 323.393 -0.750 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)c2cc(C)ncn2)CC1 1070955911 BUFGRVWZZUFPON-UHFFFAOYSA-N 315.377 -0.318 30 20 DBED N#CCN1CCNC(=O)CCN(C(=O)[C@@H]2CCCOCC2)CC1 1070958657 LYXFSUSOJGZZEF-CQSZACIVSA-N 322.409 -0.023 30 20 DBED C#CCCN1C[C@H](NC(=O)Cn2ncn(C)c2=O)CC[C@H]1C 1071626419 VTIZEECXDWRJMH-CHWSQXEVSA-N 305.382 -0.426 30 20 DBED C=CCOCC(=O)N1C[C@H](C)[C@@H](NC(=O)c2cncnc2O)C1 1071812748 VQWTUFFAKFVFJB-JQWIXIFHSA-N 320.349 -0.039 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)Cn2cnnc2O)C[C@H]1C 1071941720 CZZFOBRQEKKEGA-GHMZBOCLSA-N 323.353 -0.851 30 20 DBED C[C@H]1CC[C@H](NC(=O)CN2CCC(=O)NC2=O)CN1CC#N 1071968105 RIBJGZHUMOLSCQ-QWRGUYRKSA-N 307.354 -0.579 30 20 DBED CC(C)C#CC(=O)NC1(C)CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 1073224926 RMOIZIKWLPKJJZ-LBPRGKRZSA-N 320.393 -0.176 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](NC(=O)CNC(C)=O)[C@H](C)C1 1073660167 YPQVZQUNBPUOIR-TZMCWYRMSA-N 323.393 -0.484 30 20 DBED C=CCN1CCCO[C@H](CNC(=O)c2nnc(O)nc2O)C1 1073679573 PSTNNADJWZFLOR-SECBINFHSA-N 309.326 -0.711 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@@H]3OCCN(CCO)[C@@H]3C2)c1 1074204840 IZNBVAWTUUBHBC-KGLIPLIRSA-N 304.350 -0.206 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CCN(C(=O)c2ncn(C)n2)CC1 1074573294 FKNCCPLCLNVLRI-SNVBAGLBSA-N 320.353 -0.942 30 20 DBED C#CCOCCC(=O)NCC[C@H](C)NC(=O)[C@H]1CCCNC1=O 1076506107 LINCEXIJHGVUJR-STQMWFEESA-N 323.393 -0.437 30 20 DBED Cn1nnc2cc(C(=O)N[C@@H]3CN(CC#N)C[C@H]3O)ccc21 1077234523 OCJWGNQORILJNH-DGCLKSJQSA-N 300.322 -0.733 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)c2nnn(CC)c2CC)C1 1077665866 QCZOVOINLQYXCO-DGCLKSJQSA-N 305.382 -0.341 30 20 DBED C=CC(C)(C)C(=O)NCC[C@H](C)NC(=O)[C@@H]1CC(=O)NC(=O)N1 1077743126 RKEUUZDIPSQNRB-UWVGGRQHSA-N 324.381 -0.192 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)C2CCN(C(N)=O)CC2)C1 1078155683 ASEJEPYAHANRIX-ZIAGYGMSSA-N 324.425 -0.095 30 20 DBED N#Cc1cccc(CNC[C@@H]2CN(C(=O)C(N)=O)CCCO2)c1 1078456785 HEBQMAFOHIHSRN-CQSZACIVSA-N 316.361 -0.249 30 20 DBED C=CCOCC(=O)N(CC)C1CN(C(=O)[C@@H](C)NC(C)=O)C1 1079490593 WMRJYXGCKRANCH-LLVKDONJSA-N 311.382 -0.227 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CO)(NC(=O)c2cnn(C)c2)CC1 1080713120 OCYWRFKINWNLBP-NSHDSACASA-N 319.365 -0.337 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)CN(C)C(C)=O)C[C@H]1O 1081441172 FIQBJHHPMYXUNF-UONOGXRCSA-N 323.393 -0.796 30 20 DBED C=CCC(C)(C)C(=O)NC[C@@H]1CN(C(=O)CC(N)=O)C[C@@H]1O 1081490322 CWIGFLYHANPFNG-MNOVXSKESA-N 311.382 -0.600 30 20 DBED C=CCC(CC=C)C(=O)N1C[C@H](O)[C@H](CNC(=O)C(N)=O)C1 1081719003 LBLHRQIMJXZTBC-NEPJUHHUSA-N 309.366 -0.824 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1cccc2nn[nH]c12 1081726140 PWYDSZMRSAOXLK-VXGBXAGGSA-N 300.322 -0.090 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CCCCN1C(=O)Cn1cnnc1O 1082019431 XYPNTAFXNYQARC-QWRGUYRKSA-N 320.353 -0.359 30 20 DBED C=CCN1C[C@@H](NC(=O)c2cnn3c(=O)cc[nH]c23)[C@H](OC)C1 1082210777 RGITYDSOLSVRML-VXGBXAGGSA-N 317.349 -0.362 30 20 DBED C#CCCN1C[C@@H](NC(=O)[C@@H]2CCCC(=O)N2C)[C@H](OC)C1 1082350451 VIKWIZPXTHRAEY-HZSPNIEDSA-N 307.394 -0.164 30 20 DBED C#CCN1C[C@@H](NC(=O)Cn2c(C)csc2=O)[C@H](OC)C1 1082365971 GFSIWKQYIRMQQU-VXGBXAGGSA-N 309.391 -0.333 30 20 DBED C=CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)C[C@@H]1CCN(C)C1=O 1083112527 DYAXRNFPYMCWCU-MELADBBJSA-N 307.394 -0.048 30 20 DBED C[C@H]1CCN(C(=O)C(=O)N2CCO[C@@H]3CN(CC#N)C[C@@H]32)C1 1083244150 KOZDMOHQDZZPJH-RWMBFGLXSA-N 306.366 -0.710 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2c[nH]nc2[C@H]2CCCO2)C1 1083721431 CAZPWIMFFKNCAQ-GRYCIOLGSA-N 305.338 -0.440 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)[C@H]2COCCN2C2CCCC2)C1 1083722692 CWWXNRPTJCYBQC-OAGGEKHMSA-N 323.437 -0.023 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2cc(C(F)(F)F)n[nH]2)C1 1083862304 ZLOGHVPISJXXLC-BDAKNGLRSA-N 302.256 -0.163 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCc3nc[nH]c3C2)C1 1083929179 RPBOFTZUHFBDAZ-DFBGVHRSSA-N 302.378 -0.301 30 20 DBED C#CCCN1CC[C@@H]2CN(C(=O)CN3CCCNC3=O)[C@@H]2C1 1084482709 ASRNWVUSNBISDL-ZIAGYGMSSA-N 304.394 -0.042 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)c3cn(C)c(=O)cn3)C[C@@H]2C1 1088047367 UUHHIOOJWQRFPJ-OLZOCXBDSA-N 300.362 -0.193 30 20 DBED COc1nc(C)ncc1C(=O)N[C@H]1CCN(CC#N)C[C@@H]1O 1090310684 NAXATKIIIGWQBV-RYUDHWBXSA-N 305.338 -0.518 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2cc3n(n2)CCCO3)[C@@H](O)C1 1090425735 SDPVVUQIRZCPLR-PWSUYJOCSA-N 305.338 -0.646 30 20 DBED CC(=O)NCc1ccc(C(=O)N[C@@H]2CCN(CC#N)C[C@H]2O)o1 1090646767 LPKMGSWQPFPHEJ-CHWSQXEVSA-N 320.349 -0.396 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(c2nc(C)ncc2C)C[C@@H]1O 1091153030 OOXLPXKRRSOLHK-BNOWGMLFSA-N 318.377 -0.203 30 20 DBED N#Cc1nc(=NC2CC(CNC(=O)Cn3ccnc3)C2)cc[nH]1 1092227818 VWGTYYYYKGUFIF-UHFFFAOYSA-N 311.349 -0.026 30 20 DBED CC(C)(C)n1nnc(C(=O)NCCNc2ccc(C#N)nn2)n1 1094203493 VBZKPLAJJKLZOK-UHFFFAOYSA-N 315.341 -0.068 30 20 DBED Cc1c[nH]c(C(=O)NCc2cn(C3CN(CC#N)C3)nn2)n1 1094325392 METQMJJDJBRHST-UHFFFAOYSA-N 300.326 -0.380 30 20 DBED C#CCN1CC(n2cc(CNC(=O)c3nonc3C)nn2)C1 1094342022 CLYLAADJBYSVDM-UHFFFAOYSA-N 301.310 -0.611 30 20 DBED C[C@@H](CC(N)=O)C(=O)N1CC[C@H](N(C)c2cnc(C#N)cn2)C1 1095151260 SYNLHMMDHYXTOV-JQWIXIFHSA-N 316.365 -0.103 30 20 DBED CN(C)C(=O)CC(=O)N1CC[C@@H](N(C)c2cnc(C#N)cn2)C1 1095157221 RQBXJGXBCRZCHY-GFCCVEGCSA-N 316.365 -0.136 30 20 DBED C=CCCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cn1cnc(C(N)=O)n1 1095439838 GYSWGICMDHJKJQ-WOPDTQHZSA-N 318.381 -0.325 30 20 DBED CCN(CCCNC(=O)Cn1cnnn1)c1ccncc1C#N 1095835544 PVWYILVENPIMPJ-UHFFFAOYSA-N 314.353 -0.027 30 20 DBED C=CCO[C@H](C)C(=O)N[C@H]1CCN(c2ccc3nnnn3n2)C1 1096393402 MNUDLEBJAULQEH-MNOVXSKESA-N 317.353 -0.195 30 20 DBED CCNC(=O)CC(=O)N[C@H]1C[C@@H](N=c2cc[nH]cc2C#N)C1 1097176514 OBOQQCMAZAONAV-TXEJJXNPSA-N 301.350 -0.040 30 20 DBED C[C@@H](CNC(=O)c1nc2ncccn2n1)N=c1cc[nH]c(C#N)n1 1097997954 AHSAGDKEFPFOOJ-VIFPVBQESA-N 323.320 -0.562 30 20 DBED C[C@@H](CNC(=O)c1cc(C(N)=O)co1)N=c1cc[nH]c(C#N)n1 1098262674 JSAFAXSOQDJWLJ-QMMMGPOBSA-N 314.305 -0.308 30 20 DBED N#CCN[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1C(F)(F)F 1099300624 PQGVYTUWCJRVMF-HTQZYQBOSA-N 304.272 -0.246 30 20 DBED Cn1nccc1CCN1CC[C@@H](NC(=O)C#CC2CC2)[C@@H](O)C1 1099827328 VSRPUTYYIITKQT-CVEARBPZSA-N 316.405 -0.073 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)C(C)(C)NC(=O)NC)[C@H](O)C1 1100126791 MRKVYAGYZNNGDR-NWDGAFQWSA-N 312.414 -0.179 30 20 DBED CN(CCNC(=O)[C@]1(C)CNC(=O)C1)c1ccnc(C#N)n1 1100246806 NEMNTZZEUKEIFP-AWEZNQCLSA-N 302.338 -0.573 30 20 DBED C=CCNC(=O)CNC1CC(CNC(=O)C[C@@H]2CCNC2=O)C1 1100403113 DRXYNNGRMSCUCE-CPCZMJQVSA-N 322.409 -0.701 30 20 DBED COCC#CCNC1CC(CNC(=O)c2cncnc2O)C1 1100430776 PDKONZPZCZFLON-UHFFFAOYSA-N 304.350 -0.070 30 20 DBED C[C@H](NC(N)=O)C(=O)NC[C@H]1CCCN1c1nccnc1C#N 1100825556 SBMKFZKOCMAURN-VHSXEESVSA-N 317.353 -0.510 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CN(C(=O)c3ccon3)C[C@]2(C)C1 1101142349 VQZFXTMEZROWDE-WBMJQRKESA-N 316.361 -0.182 30 20 DBED CC(=O)N[C@H](C)C(=O)N[C@H]1CC2(CN(CC#N)C2)n2ccnc21 1101603926 ISMZKYVFIFRCNP-PWSUYJOCSA-N 316.365 -0.497 30 20 DBED C=CCN1CC2(C[C@@H](NC(=O)CNC(N)=O)c3nccn32)C1 1101607784 YEZBUNDUKYACSI-SNVBAGLBSA-N 304.354 -0.691 30 20 DBED COc1cncc(C(=O)N(C)CCN=c2cc[nH]c(C#N)n2)n1 1101775399 ZFFQWKQEHDADSL-UHFFFAOYSA-N 313.321 -0.247 30 20 DBED Cc1nsc(NCCN(C)C(=O)[C@H]2CNC(=O)N2)c1C#N 1101921627 ZASHVKAEBPQMNV-SECBINFHSA-N 308.367 -0.125 30 20 DBED Cc1cc(=NCCN(C)C(=O)[C@H]2C[C@H]2C(N)=O)c(C#N)c[nH]1 1101973223 RXOFMXXENPPMEO-NEPJUHHUSA-N 301.350 -0.325 30 20 DBED C[C@@H](CNC(=O)[C@H]1COCCN1C)CNc1cnc(C#N)cn1 1103922592 GJNKIYQJGBFCHA-DGCLKSJQSA-N 318.381 -0.157 30 20 DBED CC(=O)N1CC(C(=O)NC[C@H](C)CNc2cncc(C#N)n2)C1 1103941185 HWYQXDBOKAEDPV-SNVBAGLBSA-N 316.365 -0.009 30 20 DBED C[C@@H](CNc1cnc(C#N)cn1)N(C)C(=O)CS(C)(=O)=O 1104497681 JDCFIYZEUNERKT-VIFPVBQESA-N 311.367 -0.348 30 20 DBED CC(C)C[C@H](CNc1cncc(C#N)n1)NC(=O)CNC(N)=O 1104906319 ICUZQURWKXDCMN-SNVBAGLBSA-N 319.369 -0.041 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)[C@H]2CCC(=O)N2)cn1 1105750083 HBZUXWQTLYVXNU-VXGBXAGGSA-N 303.322 -0.879 30 20 DBED CCn1ccnc1C(=O)NC[C@H](O)CNc1cncc(C#N)n1 1105803387 ZHPXTWZGCVZMLW-LLVKDONJSA-N 315.337 -0.233 30 20 DBED C[C@@H](C(=O)NC[C@@H](O)CNc1nccnc1C#N)n1cncn1 1105829471 SOGPPUKNGYJKIL-UWVGGRQHSA-N 316.325 -0.910 30 20 DBED C=CCNC(=O)[C@H](C)NC[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1C 1106782600 ZOOMUKWVVWGMHU-GRYCIOLGSA-N 320.397 -0.207 30 20 DBED N#Cc1cnc(NC/C=C\CNC(=O)[C@@H]2COC(=O)N2)cn1 1107175483 LSYFYBLKTWCJTG-SYBPUXJVSA-N 302.294 -0.459 30 20 DBED CN(C)C(=O)CC(=O)NC/C=C\CNc1cnc(C#N)cn1 1107535645 KMODSGRWDDOZAQ-ARJAWSKDSA-N 302.338 -0.089 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)Cc2cn(CC)nn2)C1 1108090992 ZJQSETDEKJCWEG-HNNXBMFYSA-N 305.382 -0.319 30 20 DBED C[C@@H](CNc1cnc(C#N)cn1)NC(=O)[C@@H]1COCCN1C 1108319847 JLZOSHKMBIZPST-JQWIXIFHSA-N 304.354 -0.405 30 20 DBED C[C@@H](CNc1ccc(C#N)cn1)NC(=O)[C@H]1CCS(=O)(=O)N1 1108391801 OABKNDDIVMQHHG-GXSJLCMTSA-N 323.378 -0.438 30 20 DBED C=CCOCC(=O)N1CCN(CC)[C@H]2CS(=O)(=O)C[C@H]21 1108465645 TWJMICTYWQMBBY-NWDGAFQWSA-N 302.396 -0.481 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H]1CC(=O)N(C2CN(C(C)C)C2)C1 1108546361 VDSFUXALCCYSJQ-OLZOCXBDSA-N 307.394 -0.166 30 20 DBED C=C[C@](C)(CC)C(=O)N[C@@H]1CC(=O)N(C2CN(CCO)C2)C1 1108569053 BGCAHFXYAFPCRT-MLGOLLRUSA-N 309.410 -0.018 30 20 DBED CC(=O)N1CC(C(=O)NCC2(Nc3ccnc(C#N)n3)CC2)C1 1110113369 ODGHKGFJUVDLBJ-UHFFFAOYSA-N 314.349 -0.113 30 20 DBED C[C@@H](CC(N)=O)C(=O)N[C@]1(C)CCN(c2nccnc2C#N)C1 1110802386 MZNFCYHOXMDYJJ-ZUZCIYMTSA-N 316.365 -0.055 30 20 DBED Cn1cnc(C(=O)N(CCO)CCNc2ccc(C#N)nn2)n1 1111461171 YPWGIEOKTQQSSK-UHFFFAOYSA-N 316.325 -0.977 30 20 DBED CC(C)N(C)CC(=O)N(CCO)CCNc1ccc(C#N)nn1 1111480824 LISUXBLPWVHLQX-UHFFFAOYSA-N 320.397 -0.079 30 20 DBED C#CCOCCC(=O)NC[C@H]1COCCN1c1cnc(F)cn1 1111700006 HIHMFKRKKRFHJV-LBPRGKRZSA-N 322.340 -0.023 30 20 DBED CC(=O)NCC(=O)NC[C@@H]1CN(c2ccc(C#N)nc2)C[C@@H]1O 1112694677 JHQJMTGHWBAZAN-RISCZKNCSA-N 317.349 -0.997 30 20 DBED C#CCNC(=O)CC(=O)N1CCN(C[C@@H]2CC[C@@H](C)O2)CC1 1112777739 KOKNHRLVXDOASB-KGLIPLIRSA-N 307.394 -0.162 30 20 DBED N#Cc1c[nH]ccc1=NCC1CC(NC(=O)C2(C(N)=O)CC2)C1 1112868864 ANRHTAQQZZQYBR-UHFFFAOYSA-N 313.361 -0.053 30 20 DBED C[C@H](N=c1cc[nH]c(C#N)n1)[C@H](C)NC(=O)CCCC(N)=O 1113077626 QGRJCPHAECYJSJ-UWVGGRQHSA-N 304.354 -0.269 30 20 DBED C[C@H](CNC(=O)[C@H]1COCCN1C)N(C)c1ccc(C#N)nn1 1113559924 FTYRAFXZBRRKIY-DGCLKSJQSA-N 318.381 -0.380 30 20 DBED COCC#CCN1CCN(C(=O)[C@H](CC(C)C)C(N)=O)CC1 1113741706 ARHBREDSCSNIPG-CQSZACIVSA-N 309.410 -0.072 30 20 DBED C=CCOCC(=O)N[C@H]1[C@@H]2CN(CCNC(=O)NC(C)C)C[C@@H]21 1114048228 UPNPEEGDKNYMQH-NHAGDIPZSA-N 324.425 -0.057 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3cc(C)ncn3)[C@H]2C1 1114143935 XEIROYQXJFLRSV-JYAVWHMHSA-N 313.361 -0.806 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3cnnc(O)c3)[C@H]2C1 1114436378 GJCRMGQFIJHQHH-YABSGUDNSA-N 317.349 -0.856 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)c3c(C)n[nH]c3C)[C@@H]2C1 1114978232 QXSBHZOLYRYSMM-VXGBXAGGSA-N 315.377 -0.564 30 20 DBED COc1ccc(C(=O)NC2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]23)o1 1115007665 NAOIDPNPFHORHB-NXEZZACHSA-N 318.333 -0.412 30 20 DBED C=C(C)CN1C[C@@H]2C(NC(=O)CS(=O)(=O)N(C)C)[C@H]2C1 1115186258 OROGUTNXVGCKAH-QWRGUYRKSA-N 301.412 -0.500 30 20 DBED C=CCCCN1C[C@H]2C(NC(=O)Cn3nc(C)n(C)c3=O)[C@@H]2C1 1115188100 HZICMKSNHRFUFB-CHWSQXEVSA-N 319.409 -0.097 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)Cn3ccnc3C)[C@H]2C1 1115243347 MMLSGGKBNCZCLG-VIKVFOODSA-N 317.393 -0.460 30 20 DBED COC(=O)Cn1ncc(NC(=O)C(=O)N(C)C[C@H](C)C#N)c1C 1116880437 HSMKOMFRQHMZHV-SECBINFHSA-N 321.337 -0.079 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)NCc1ncnn1C(C)(C)C 1117580121 BHCOXWFBODSAHU-SNVBAGLBSA-N 309.370 -0.034 30 20 DBED COC(=O)[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C#N)C2)CCO1 1120332587 OWSHQSCNBQOVNH-MNOVXSKESA-N 309.322 -0.851 30 20 DBED C[C@H](CN(C)C(=O)[C@H]1CN(C)C(=O)N1)Nc1ccc(C#N)nn1 1120406244 AXJMLGNISXYSTA-MWLCHTKSSA-N 317.353 -0.369 30 20 DBED Cc1cc(CC(=O)NC[C@H](CO)Nc2cnc(C#N)cn2)n[nH]1 1121288054 OCSZALMQQVNZLF-GFCCVEGCSA-N 315.337 -0.489 30 20 DBED Cc1cc(=N[C@H](CO)CNC(=O)Cc2cc[nH]n2)c(C#N)c[nH]1 1121398307 GZYOUTYIZIFORD-ZDUSSCGKSA-N 314.349 -0.462 30 20 DBED COCC[C@@H](C)C(=O)NC[C@@H](CO)Nc1cncc(C#N)n1 1121607488 PBYUKKOKYAUJGD-PWSUYJOCSA-N 307.354 -0.090 30 20 DBED COCCOCCC(=O)NC[C@H](CO)Nc1ncccc1C#N 1121698660 IMOYOHWERZQBPA-CYBMUJFWSA-N 322.365 -0.105 30 20 DBED N#Cc1nc(=N[C@@H](CO)CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)cc[nH]1 1122635606 JVGMRYXZKFMYOT-KKOKHZNYSA-N 317.349 -0.773 30 20 DBED COCCCC(=O)N(C)C[C@H](O)CN=c1cc[nH]c(C#N)n1 1124179881 KZCYUCHOAAZIEC-LLVKDONJSA-N 307.354 -0.572 30 20 DBED C[C@@H](C#N)C(=O)NCCN[C@H]1CCCN(c2cnn(C)c2)C1=O 1124903173 OXPDKJHQJRQEAD-AAEUAGOBSA-N 318.381 -0.219 30 20 DBED CN(C[C@@H](O)CN(C)c1cnc(C#N)cn1)C(=O)c1cn[nH]c1 1125029770 HFEWCMBLXVFXMP-LBPRGKRZSA-N 315.337 -0.359 30 20 DBED N#Cc1ccc(N2CC=C(CNC(=O)CC(N)=O)CC2)nn1 1127632550 CYJITZQLFWYIBY-UHFFFAOYSA-N 300.322 -0.524 30 20 DBED CC(C)C#CC(=O)N1C[C@H](n2ccnn2)[C@H](NC[C@@H](C)O)C1 1129822498 VHENIIQCXMNKAI-MCIONIFRSA-N 305.382 -0.340 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)c1cnc2n1CCOC2 1129897695 NCRXNLZDMMCLTQ-LLVKDONJSA-N 321.381 -0.577 30 20 DBED Cn1cnc2cc(C(=O)NCCNCC(=O)NCC#N)ccc21 1130511784 GULSSNYRTZRAQR-UHFFFAOYSA-N 314.349 -0.468 30 20 DBED COCC#CCN1CC[C@@]2(C1)CN(C(=O)COC)C[C@H](C)O2 1131617252 RCOZXRPCCSQUNP-GOEBONIOSA-N 310.394 -0.026 30 20 DBED C[C@@H](C[C@@H](C)NCC(=O)NCC#N)NC(=O)c1cnns1 1133799406 SVDJEYJLCUBUHY-BDAKNGLRSA-N 310.383 -0.336 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)C[C@H](C)NCc1nccn1C 1134131344 VAQAKYDWFSLMEH-QWHCGFSZSA-N 319.409 -0.068 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@H]1CC(=O)N(CCC)C1 1134507998 PHKGUBMJSQKCSX-LBPRGKRZSA-N 310.398 -0.747 30 20 DBED COCC#CCNCCNC(=O)[C@@H]1CCCS(=O)(=O)C1 1134643564 CFMRBUFMAOBOTC-GFCCVEGCSA-N 302.396 -0.833 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)C(=O)N1CCC[C@@H](C)C1 1134878057 QGXCJISMEVRFMU-CHWSQXEVSA-N 322.409 -0.911 30 20 DBED COCCn1nc(C(=O)N[C@H](C)C[C@H](C)NCC#N)ccc1=O 1134914308 SSQXYKIBJWOFDW-NWDGAFQWSA-N 321.381 -0.100 30 20 DBED C[C@H](C[C@@H](C)NC(=O)CN1CCCCS1(=O)=O)NCC#N 1135009706 ZWHGSUMOZCPFGJ-VXGBXAGGSA-N 316.427 -0.192 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H](C)Cc1cnn(C)c1 1136012534 PWMXVMPEAYBQKX-QWHCGFSZSA-N 319.409 -0.558 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)C[C@H]1CCCO1)C2 1147035224 VZNDYZKPXPSRFQ-CQSZACIVSA-N 319.405 -0.161 30 20 DBED N#CCNC(=O)CN1CCCO[C@@H](CNC(=O)[C@@H]2CCCO2)C1 1149089657 CEHLGHXHCQKCDY-STQMWFEESA-N 324.381 -0.988 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)Cn2ccc(C)cc2=O)C1 1150386762 RQKJFFUHGXEZDT-HNNXBMFYSA-N 317.389 -0.003 30 20 DBED N#CCN1CCCO[C@H](CNC(=O)CCn2cnccc2=O)C1 1150516558 IHLXXEPSEDPOEQ-CYBMUJFWSA-N 319.365 -0.636 30 20 DBED C=CCCN1CCCO[C@H](CNC(=O)CN2C(=O)CNC2=O)C1 1150685812 SGVIIDNOXMAFBL-GFCCVEGCSA-N 324.381 -0.679 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@H](C)OC[C@@H]1CCCO1 1153174927 FOMJBQQCRAPFPK-STQMWFEESA-N 311.382 -0.974 30 20 DBED C#CCNC(=O)CC(=O)NCCCNCc1cnnn1CC 1156857538 TTZJWFKILSLZPZ-UHFFFAOYSA-N 306.370 -0.967 30 20 DBED C=CCNC(=O)CN1CC=C(CCNC(=O)CC(=O)NC)CC1 1159934258 UNPGKNOMZIYYCN-UHFFFAOYSA-N 322.409 -0.437 30 20 DBED CC#CCN1CC=C(CCNC(=O)Cn2ncn(C)c2=O)CC1 1160559896 RKYUDMKQKQFKMU-UHFFFAOYSA-N 317.393 -0.257 30 20 DBED N#CCNC(=O)CNCCCNC(=O)CCc1ccc(O)nc1 1164538601 KAXBYUZARRFQJM-UHFFFAOYSA-N 319.365 -0.545 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)c1cn(CCC)nn1 1169551786 IZHGNJYDZDAADM-GFCCVEGCSA-N 320.397 -0.465 30 20 DBED C#CCNCCCC[C@H](C)NC(=O)[C@@H](C)NS(C)(=O)=O 1175450623 DJYNITGPQBFKLK-NWDGAFQWSA-N 303.428 -0.178 30 20 DBED C#CCNC(=O)CN1CCO[C@H]2CCN(C(=O)C(F)F)C[C@@H]21 1176870408 GANSTUDKDRVIFO-QWRGUYRKSA-N 315.320 -0.697 30 20 DBED C=C(C)CCN1CCO[C@H]2CCN(C(=O)CNC(N)=O)C[C@@H]21 1176907749 SCQJZHDDYBTYEJ-STQMWFEESA-N 310.398 -0.077 30 20 DBED COCC#CCN1CCO[C@@H]2CCN(C(=O)CCN(C)C)C[C@@H]21 1177081558 QXMIIOWAPIIBOR-JKSUJKDBSA-N 323.437 -0.110 30 20 DBED C#CCOCCC(=O)N1CC[C@H](NCC(=O)NCC=C)[C@@H]1C 1178681888 RQVVPPCOKAFOBP-KBPBESRZSA-N 307.394 -0.093 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)Cn2ccc(C)n2)[C@H]1C 1179554270 YGGMVPIBGROFRA-KBPBESRZSA-N 317.393 -0.480 30 20 DBED C#CCNCCCCCCNC(=O)CN1C(=O)C(=O)N(C)C1=O 1179736114 UXHLPFLZNZICTE-UHFFFAOYSA-N 322.365 -0.694 30 20 DBED C#CCNC(=O)CNCCCCCCNC(=O)CCCC(N)=O 1180458210 FDGBNTYDIUACIZ-UHFFFAOYSA-N 324.425 -0.342 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)c2ccnc(O)c2)C1 1181964916 KEFUNBQKDROYRT-GFCCVEGCSA-N 304.350 -0.107 30 20 DBED C#CCCCCC(=O)N1CC[C@@H](N[C@H](C)C(=O)NC(N)=O)C1 1182113383 WRQZECZMJRUNBJ-VXGBXAGGSA-N 308.382 -0.046 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)Cc2cscn2)C1 1186129576 MFLQFVCMNLDROA-LLVKDONJSA-N 306.391 -0.375 30 20 DBED C=CCCOCC(=O)N1CC[C@@H](N[C@@H](C)C(=O)NC(N)=O)C1 1188301435 DBDOUNKDWBQYPI-WDEREUQCSA-N 312.370 -0.647 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@@H]2CCN(C(=O)c3cnon3)[C@@H]2C1 1189492406 QLIPRGJLTXPGSU-NTZNESFSSA-N 319.365 -0.093 30 20 DBED Cc1cc(CC(=O)N2CC[C@@H](N(C)CC(=O)NCC#N)C2)n[nH]1 1189611710 SXMYMDKGDLIFPT-CYBMUJFWSA-N 318.381 -0.567 30 20 DBED COCC#CCN(C)[C@@H]1CCN(C(=O)[C@H]2CN(C)C(=O)N2)C1 1191717820 BTVBOEQHLRQPPX-CHWSQXEVSA-N 308.382 -0.808 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(CCc2cnn(C)c2)C[C@H]1O 1191772350 ZBCFCGHGSDFRNX-ZIAGYGMSSA-N 308.382 -0.674 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)CCCC)C1 1192600182 WAMAKJSBHOZDJE-BFHYXJOUSA-N 309.410 -0.277 30 20 DBED CC(C)n1ncnc1CN1C[C@@H](O)[C@H](NC(=O)C#CC2CC2)C1 1192769963 DKDQBJDCEFZQMS-ZIAGYGMSSA-N 317.393 -0.066 30 20 DBED C=CCNC(=O)[C@H](C)N1CCCN(C(=O)CN(C)C(C)=O)CC1 1194904779 JGOCHFOEFAPUDP-ZDUSSCGKSA-N 324.425 -0.310 30 20 DBED C=C1CCC(C(=O)N[C@@H]2CN(CCOCCO)C[C@H]2O)CC1 1195876582 PEIYQTWQVBGBEY-HUUCEWRRSA-N 312.410 -0.097 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)C(C)(C)S(C)(=O)=O)C1 1196576197 LFSYQQWKZPFRQW-VXGBXAGGSA-N 318.439 -0.063 30 20 DBED CCOCCNC(=O)CNC1CCN(C(=O)[C@@H](C)C#N)CC1 1199827340 VEUNVZKIPLSQQL-LBPRGKRZSA-N 310.398 -0.121 30 20 DBED C[C@@H](NC[C@H]1CN(C(=O)CSCC#N)CCCO1)C(N)=O 1199913119 JCBMXQBFBPTHON-MNOVXSKESA-N 314.411 -0.676 30 20 DBED N#CCNC[C@H]1CN(C(=O)c2ccoc2CC(N)=O)CCCO1 1201251509 ASSPEFSPQAIFIY-NSHDSACASA-N 320.349 -0.348 30 20 DBED C#CCNC(=O)CN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)c1cnn[nH]1)C2 1204519532 AGSGFEUKTBSGGK-NQBHXWOUSA-N 316.365 -0.863 30 20 DBED CC#CCN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)CS(=O)(=O)NC)C2 1204986838 BXFOJSDAZMPAFM-JHJVBQTASA-N 313.423 -0.472 30 20 DBED C#CCNCC1CCN(C(=O)CS(=O)(=O)CCOC)CC1 1205537567 RZHCKIBQQZPPEC-UHFFFAOYSA-N 316.423 -0.491 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)CC(=O)NCC)[C@H](C)C1 1206894107 YAZCHUFFSPUFAH-JHJVBQTASA-N 324.425 -0.360 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)c2ccc(O)nn2)C1 1207159525 QWVVVPKNHMRVFT-LLVKDONJSA-N 317.349 -0.874 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)CCc2nc[nH]n2)C1 1207764326 NEVNYMDJKIMQDG-GFCCVEGCSA-N 320.397 -0.380 30 20 DBED CN(CC(=O)N1CCC[C@@H](NCC(=O)NCC#N)C1)C1CCC1 1208340781 PTRUCZMUDHIKSR-CYBMUJFWSA-N 321.425 -0.309 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)C2(COC)CC2)C1 1208570426 YFIDLIZDTHONDY-CYBMUJFWSA-N 307.394 -0.257 30 20 DBED C=CCCCN[C@H]1CCCN(C(=O)CNS(=O)(=O)NC)C1 1208757995 GYKRQDKNBNAKCZ-LBPRGKRZSA-N 318.443 -0.413 30 20 DBED Cc1cnn(C)c1C(=O)N1CCC[C@@H](NCC(=O)NCC#N)C1 1209051004 GPDJGCBHOPITMQ-GFCCVEGCSA-N 318.381 -0.438 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)c2ncccn2)[C@H](C)C1 1209672683 USWQMHTUOUCAIQ-JHJVBQTASA-N 315.377 -0.335 30 20 DBED C=C(C)CN[C@H]1CCCN(C(=O)CNC(=O)Cn2cncn2)C1 1211233353 CEKQXIQPTZAIPN-ZDUSSCGKSA-N 320.397 -0.449 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)C[C@@H]2C=CCC2)[C@H](OC)C1 1211822739 KVCQIAYRXGYCNY-RBSFLKMASA-N 319.405 -0.093 30 20 DBED C#CCCN1C[C@@H](NC(=O)[C@@H](C)CS(C)(=O)=O)[C@H](OC)C1 1213934425 SUQQGMRERQKSAR-YNEHKIRRSA-N 316.423 -0.494 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CNC(=O)[C@H](C)CC 1219036062 IFCWGRFLNRWVKL-HZSPNIEDSA-N 307.394 -0.307 30 20 DBED C=CCN1CC[C@H](N2C[C@H](O)[C@H](NC(=O)C=C(C)C)C2)C1=O 1219146289 ITQXKOMPZAVIBM-RDBSUJKOSA-N 307.394 -0.099 30 20 DBED C#CCC1(C(=O)N[C@@H]2CN(Cc3nnnn3C)C[C@@H]2O)CCC1 1219783701 FBLDITOEEROHEM-NEPJUHHUSA-N 318.381 -0.935 30 20 DBED C=CCCCN1C[C@H](O)[C@H](NC(=O)CCCS(C)(=O)=O)C1 1220537680 CZCDBPHISPETTI-OLZOCXBDSA-N 318.439 -0.061 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)CCc2ncccn2)C1 1220591701 GWNGDGMHPYJLRJ-KGLIPLIRSA-N 320.393 -0.227 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)CCCN2CCCC2)C1 1221072165 UGEWLBKTZAWCTG-CVEARBPZSA-N 323.437 -0.327 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3ccnnc3)[C@@H]2C1 1221830013 RGDLZSYKYXQPOV-ZIAGYGMSSA-N 313.361 -0.628 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)c2cnc(Cl)n2C)C1 1316979692 ISGQTEDUUSCDNP-SNVBAGLBSA-N 323.784 -0.373 30 20 DBED C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)NCC1CCN(CC#N)CC1 1320179884 BMLVDZMQZJEICZ-SMDDNHRTSA-N 322.409 -0.386 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)Nc1cnc(OC)c(C(N)=O)c1 1321241439 OEXHYXMHEXARLQ-QMMMGPOBSA-N 322.321 -0.555 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)NCc1ccoc1C 1322010023 INQKUSMRGOYBTI-UHFFFAOYSA-N 314.363 -0.079 30 20 DBED C#C[C@H](NC(=O)C(=O)NC[C@@H]1COC(C)(C)O1)[C@@H]1CCCO1 1323553986 BJFAFCHFBXBUID-WOPDTQHZSA-N 310.350 -0.449 30 20 DBED C=C[C@@H](COC)NC(=O)N(CCO)CCN1CCOCC1 1324031432 AEKAOBAOSVGLRX-ZDUSSCGKSA-N 301.387 -0.477 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H](C=C)COC)C1=O 1324239558 WQPIKVQBAUFBOG-NEPJUHHUSA-N 309.366 -0.451 30 20 DBED CN(CC(F)F)C(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1329419336 IGYAGWAQTPOBJW-SNVBAGLBSA-N 300.309 -0.091 30 20 DBED C=CCC1(O)CCN(C(=O)C(=O)N2C[C@H]3C[C@]3(CO)C2)CC1 1336363704 KUQFKLBWLBQNTD-IUODEOHRSA-N 308.378 -0.243 30 20 DBED Cc1c(C(=O)[C@H](C#N)C(=O)NC2CC2)nnn1-c1ccn(C)n1 1341821111 LXAYLLQVCVSRMB-JTQLQIEISA-N 313.321 -0.090 30 20 DBED CS/C=C/C(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1 1341905359 ZMDNTHQXUNLZKK-OSOUNJMWSA-N 302.377 -0.171 30 20 DBED N#CC1(NC(=O)CN2C(=O)N[C@]3(CCCNC3)C2=O)CCC1 1345780429 CQFGJIPKJWWHAP-AWEZNQCLSA-N 305.338 -0.777 30 20 DBED N#C[C@H](C(=O)[C@H]1CC1(F)F)C(=O)N1CCS(=O)(=O)CC1 1347038674 JTUQPDIXTNTRJV-HTQZYQBOSA-N 306.290 -0.393 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)c2cnn(C[C@@H](O)CO)c2)C1=O 1347762986 MVNKRRWEKYJWMR-CHWSQXEVSA-N 322.365 -0.905 30 20 DBED CC(C)(O)[C@H]1CCCN1C(=O)Cn1cc(C#N)c(O)nc1=O 1362338646 MZMJJHOVFIAICC-SNVBAGLBSA-N 306.322 -0.418 30 20 DBED C[C@@H]1CN(C(=O)CN[C@H]2C[C@H](NC(=O)[C@H](C)C#N)C2)CCO1 1370449806 WDDATZJZKBIAGY-FDYHWXHSSA-N 308.382 -0.370 30 20 DBED CS(=O)(=O)CC(=O)NC1CN(Cc2cccc(C#N)c2)C1 1373418214 ZERVFNRKKHFRRA-UHFFFAOYSA-N 307.375 -0.097 30 20 DBED C[C@@H](C(=O)NC(N)=O)N1CCC(CCNC(=O)[C@H](C)C#N)CC1 1373936733 XXQROQSUYPWDLL-MNOVXSKESA-N 323.397 -0.052 30 20 DBED C=C(Cl)CNC[C@H](O)CNC(=O)c1cn(C)nc1OC 1374632406 AESMUKHKWQZZMP-VIFPVBQESA-N 302.762 -0.139 30 20 DBED C[C@H](C#N)C(=O)NC1CCN(C(=O)c2cc(C(N)=O)c[nH]2)CC1 1385456004 PFRFJSQJMOLOAY-SECBINFHSA-N 317.349 -0.006 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H](CNC(=O)CN2CCOCC2)C1 1386376489 JJUXLEUAQUGWFV-UONOGXRCSA-N 322.409 -0.167 30 20 DBED CCc1nnsc1C(=O)NC[C@H](O)CNC(=O)[C@@H](C)C#N 1392129408 KTLAVLROMVUOOI-JGVFFNPUSA-N 311.367 -0.533 30 20 DBED CC1CCN(CC(=O)NC[C@@H](O)CNC(=O)[C@H](C)C#N)CC1 1392161143 LPLSSDJKMNESNA-CHWSQXEVSA-N 310.398 -0.529 30 20 DBED COC[C@@H](O)CN[C@@H](CNC(=O)c1cc(C#N)c[nH]1)C1CC1 1398416685 VXTBSNWMGHBHIM-JSGCOSHPSA-N 306.366 -0.008 30 20 DBED N#Cc1cn(CCC(=O)N2CCC3(CCO3)CC2)c(=O)nc1O 1412260544 MZMZUFOYOTXDKT-UHFFFAOYSA-N 318.333 -0.008 30 20 DBED CCN1CCCN(C(=O)CCn2cc(C#N)c(O)nc2=O)CC1 1412522491 RAVPWZGIOOBOFK-UHFFFAOYSA-N 319.365 -0.235 30 20 DBED CNC(=O)NCCC(=O)NCCN(C(=O)[C@@H](C)C#N)C1CC1 1429894196 PKEOSOJJUAJXOI-JTQLQIEISA-N 309.370 -0.428 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1cc(Cl)n(C)n1 1431563774 KQSZFSICZSUDCY-HTQZYQBOSA-N 313.745 -0.560 30 20 DBED CCN(CCNC(=O)CN1CCCNC1=O)C(=O)[C@@H](C)C#N 1431656699 ZKTSJKLQCOJTOX-NSHDSACASA-N 309.370 -0.474 30 20 DBED C[C@H]1CCNC(=O)[C@@H]1NCc1cc(O)n2ncc(C#N)c2n1 1434465203 APZRQXRIFCCOMU-QPUJVOFHSA-N 300.322 -0.079 30 20 DBED N#Cc1cc(CNC[C@@H](O)CNC(=O)c2cnn[nH]2)ccc1F 1439003432 RKCPHVQTPBXNDG-LLVKDONJSA-N 318.312 -0.304 30 20 DBED C=C(Cl)CNC[C@@H](O)CN(C)C(=O)c1ccc(=O)n(C)n1 1442026209 BLHMKUNLWJBLMY-SNVBAGLBSA-N 314.773 -0.445 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H](CNC(=O)CN1CCCNC1=O)C1CC1 1454173235 LXUDKDYHVHNGNB-JQWIXIFHSA-N 321.381 -0.428 30 20 DBED C[C@H](Cc1cnc[nH]1)C(=O)N[C@@H]1CCN(CC(=O)NCC#N)C1 1479965794 OETROEYWIUWGHY-VXGBXAGGSA-N 318.381 -0.581 30 20 DBED CC(C)[C@@H](CNC(=O)c1cc(C#N)c[nH]1)NCc1nnnn1C 1482520862 PUANGKBNRAYCGL-GFCCVEGCSA-N 316.369 -0.046 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C)C(=O)[C@@H]1CCc2nnn(C)c2C1 1496502236 RXVJOCZEBUJINU-WDEREUQCSA-N 318.381 -0.346 30 20 DBED C=C(Cl)CNC[C@@H](O)CNC(=O)c1ccc(C(N)=O)cn1 1497126699 OSDCODHHBAIRAL-SNVBAGLBSA-N 312.757 -0.387 30 20 DBED CCCNC(=O)CN1CC(O)(CNC(=O)c2cc(C#N)c[nH]2)C1 1500810177 UMJOHBCELDHFMY-UHFFFAOYSA-N 319.365 -0.811 30 20 DBED C[C@H](C#N)C(=O)NCC(C)(C)CN(C)C(=O)Cn1cnnn1 1508641930 ZAWXQUGKJRDPKR-SNVBAGLBSA-N 307.358 -0.566 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@H]3C=C[C@H]2NC3)CC1 1548548248 MBJNDDWOCJXKNW-RBSFLKMASA-N 318.421 -0.403 30 20 DBED Cn1cc([C@@H]2OCCC[C@@H]2C(=O)N[C@@H]2CCN(O)C2=O)cn1 1552322578 WAZPMSQZZSRPLE-TUAOUCFPSA-N 308.338 -0.006 30 20 DBED C#CCN(C1CCNCC1)S(=O)(=O)CCCOC(C)=O 1574614580 FNANDRXCBLREAP-UHFFFAOYSA-N 302.396 -0.043 30 20 DBED CC#CC[C@@H](N)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 1574970346 TYQLUEOLCXDKND-GFCCVEGCSA-N 319.365 -0.579 30 20 DBED C[C@H](O)C[C@@H]1COCCN1c1cnc(-c2nn[nH]n2)c(C#N)n1 1575479646 GOGPFBJWOHWZPQ-DTWKUNHWSA-N 316.325 -0.496 30 20 DBED C#C[C@H](NC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O)[C@@H]1CCCO1 1588374255 SFOGTCCNHYQPOJ-NAKRPEOUSA-N 311.338 -0.556 30 20 DBED C=CCS(=O)(=O)CCNS(=O)(=O)[C@H]1C[C@@H](C(=O)O)C1 1588879030 RQMBFAHIVQQAPB-DTORHVGOSA-N 311.381 -0.630 30 20 DBED C[C@H](C(=O)N1CCC[C@@H](C#N)C1)n1cnc(-c2nn[nH]n2)n1 1588951668 IRPCHCXAVIAQAZ-BDAKNGLRSA-N 301.314 -0.219 30 20 DBED Cn1cc(C#N)c(NC(=O)CN2CCC[C@@H](C(=O)O)C2=O)n1 1600927569 SISXVTXWAKJQIG-SECBINFHSA-N 305.294 -0.447 30 20 DBED C#CCN(CC(=O)O)c1nnc(CCc2cncnc2)n1C 1602700726 GAOHTUCPRMHQKV-UHFFFAOYSA-N 300.322 -0.086 30 20 DBED C[C@H]1CCN(c2cnc(-c3nn[nH]n3)c(C#N)n2)C[C@H]1CO 1603910695 WDFLPGZMRAGOQG-IUCAKERBSA-N 300.326 -0.017 30 20 DBED C[C@@]1(C#N)CN(S(=O)(=O)c2cc(C(=O)O)no2)CCO1 1604484843 TWOHMZUCIZSWDB-SNVBAGLBSA-N 301.280 -0.324 30 20 DBED N#CCC1(O)CN(C(=O)CNc2ccc(-c3nn[nH]n3)cc2)C1 1606346470 RUGVDYZUZVPILM-UHFFFAOYSA-N 313.321 -0.234 30 20 DBED N#Cc1nc(-n2ccc(=O)c([N+](=O)[O-])c2)cnc1-c1nn[nH]n1 1606389993 YGVVZEBNJOLQOP-UHFFFAOYSA-N 311.221 -0.413 30 20 DBED C=CCOC[C@H](NC(=O)c1cccn2c(O)nnc12)C(=O)O 1609443018 OVEUWXKPRYKQRA-VIFPVBQESA-N 306.278 -0.180 30 20 DBED C#CCNC(=O)CN1CCC[C@H](NC(=O)c2cnn(C)c2)C1 1713058615 WZOOGOKLXNJLQH-ZDUSSCGKSA-N 303.366 -0.636 30 20 DBED C=CCOCCN1CCN(CCNC(=O)c2ccnn2C)CC1 1752364150 ZDCJULWHCLUOIY-UHFFFAOYSA-N 321.425 -0.030 30 20 DBED C=CCNC(=O)CN[C@H]1C[C@H](NC(=O)CCc2cnc[nH]2)C1 1752635058 VYIJOMCFHIBBKO-JOCQHMNTSA-N 305.382 -0.119 30 20 DBED C#CCNC[C@H]1CCN(C(=O)c2ccc(=O)n(CCOC)n2)C1 1752943595 MYCDOOZOWQFTHT-CYBMUJFWSA-N 318.377 -0.425 30 20 DBED C#CCNC(=O)[C@H](C)N1CC(NC(=O)c2coc(OCC)n2)C1 1753380934 ADSVDESMYGOFRB-JTQLQIEISA-N 320.349 -0.375 30 20 DBED CC(C)(C)C(=O)C(=O)N1C[C@@H]2C[C@H]1CN2CC(=O)NCC#N 1753418730 OGQWLIXUOOQCAY-QWRGUYRKSA-N 306.366 -0.474 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H](CC)CNC(=O)Cc1cc[nH]n1 1753469408 ZJOJMGGXBZMUGU-RYUDHWBXSA-N 305.382 -0.426 30 20 DBED CC[C@@H](CNC(=O)C[C@H]1CCCOC1)NCC(=O)NCC#N 1753494753 MCWYWFQELZDNDT-OLZOCXBDSA-N 310.398 -0.073 30 20 DBED C#CCNC(=O)CNC[C@@H](C)CNC(=O)[C@@H]1CCCCN1CC 1753644818 NQYGRJLZPGMLGB-CABCVRRESA-N 322.453 -0.048 30 20 DBED COCC#CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)c1ccc(=O)n(C)n1 1754430706 TYKMZHWWUFHQGU-ZLDLUXBVSA-N 316.361 -0.767 30 20 DBED C=C(C)CN1CC[C@H]1CNC(=O)Cn1ncn2nccc2c1=O 1754495614 OBBJQMMVUCYNHS-LBPRGKRZSA-N 316.365 -0.342 30 20 DBED C=CCNC(=O)CNC[C@@H]1CCCN1C(=O)C1(C(=O)NC)CC1 1754618781 NFNZGRZCGMSZQP-LBPRGKRZSA-N 322.409 -0.605 30 20 DBED C=CCOCC(=O)NC[C@@]1(O)CCN(Cc2csnn2)C1 1754746478 TXZKQUUTPBYSIS-ZDUSSCGKSA-N 312.395 -0.206 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N1CC2(C[C@@H](NC(C)=O)CO2)C1 1755057042 OHNISFGAWLGSOY-ZYHUDNBSSA-N 324.381 -0.634 30 20 DBED C=CCn1cc(C(=O)NC[C@@H](C)N(C)Cc2nc(O)n[nH]2)nn1 1755319867 LAKNTNZFSSMGBL-SECBINFHSA-N 320.357 -0.462 30 20 DBED COCC#CCN1CCO[C@]2(CCN(C(=O)c3cnn[nH]3)C2)C1 1755401008 DCAXNZYQYAJYPN-OAHLLOKOSA-N 319.365 -0.629 30 20 DBED C#CCN[C@H](CCNC(=O)c1cn(CC(N)=O)nn1)C(C)C 1755552914 GRSKZGIEVXRIPR-LLVKDONJSA-N 306.370 -0.869 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1CC(NC(=O)Cc2nc[nH]n2)C1 1755944954 RUCJWGVJCQDBNH-NWHVRFAMSA-N 321.381 -0.315 30 20 DBED C=CCO[C@@H](C)C(=O)N(C)[C@@H](C)CNC(=O)Cn1ncnn1 1756029360 JPAROOUJMNIWLH-QWRGUYRKSA-N 310.358 -0.773 30 20 DBED C#CCCCC(=O)N[C@H]1C[C@H](CNC(=O)Cn2cnnn2)C1 1756249021 RQRAYZRCHVMGRL-HAQNSBGRSA-N 304.354 -0.512 30 20 DBED C=CCOCC(=O)N1CCC(N(C)C(=O)Cn2cncn2)CC1 1756356788 GVOQAPCWQADQHB-UHFFFAOYSA-N 321.381 -0.070 30 20 DBED CC(C)C#CC(=O)N[C@H](CO)CNC(=O)CC1CCN(C)CC1 1756521403 PTKLBOYTUAMMDF-HNNXBMFYSA-N 323.437 -0.029 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H](CO)NC(=O)/C(C)=C\C 1756529701 GIRIZDLQGWXGTF-YCYRZOEZSA-N 307.394 -0.357 30 20 DBED CC(=O)NC(C)(C)C(=O)N[C@@H]1CN(C(=O)C#CC(C)C)C[C@H]1O 1757015225 DAVWNPUFWBJECI-CHWSQXEVSA-N 323.393 -0.752 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@@H](NC(=O)C#CC2CC2)[C@H](OC)C1 1757127434 GPTPCFRRXDROOY-NWANDNLSSA-N 318.373 -0.220 30 20 DBED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3cnc[nH]3)[C@H]2C1 1787420763 LLNLINGMMURVDP-UBHSHLNASA-N 316.361 -0.435 30 20 DBED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC3(O)CCC3)[C@H]2C1 1791822480 CVJOHBIFMAFXLE-IHRRRGAJSA-N 320.389 -0.096 30 20 DBED CCOCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C#CC(=O)O)C2 1795607831 MPOZSPJPEJXFQD-ZSBIGDGJSA-N 308.334 -0.251 30 20 DBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835346431 AHZBTMDABYWRLI-INIZCTEOSA-N 317.345 -0.620 30 20 DBED C=CCNC(=O)COC(=O)c1cc(S(N)(=O)=O)cn1C 26265048 NJTZHDGUIUUWIO-UHFFFAOYSA-N 301.324 -0.869 30 20 DBED CNC(=O)CN1CCN(C(=O)COc2ccc(C#N)cc2)CC1 60782594 LYHLFGBRQOCBNR-UHFFFAOYSA-N 316.361 -0.173 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)Cc2cc(C)[nH]n2)CC1 152230453 WFHCHVJPHZQKFF-UHFFFAOYSA-N 305.382 -0.293 30 20 DBED COC(=O)[C@H]1CN(S(=O)(=O)c2cccnc2C#N)CCO1 234568572 UGCBWVFGOLNFPW-SNVBAGLBSA-N 311.319 -0.484 30 20 DBED C=CCNC(=O)CNC(=O)[C@@H](C(C)C)N1CCCS1(=O)=O 271981676 NJSYEIKKEDAJTH-GFCCVEGCSA-N 317.411 -0.535 30 20 DBED CN1C(O)=N[C@@H]2CN(/C(O)=N/[C@H]3CC(=O)N(C4CC4)C3)CC[C@@H]21 329087367 VBWCJFIYQVNEAL-WCQGTBRESA-N 321.381 -0.034 30 20 DBED C[C@@H](/N=C(/O)c1ccn(C)c1)C(=O)N1CCS(=O)(=O)CC1 331063372 VUHHLLHEFSHNJQ-SNVBAGLBSA-N 313.379 -0.025 30 20 DBED C[C@@H](CCN1CCOCC1)NC(=O)[C@@H](C)n1cnc(C#N)n1 337016163 LXCNUWJXEAXUKY-NWDGAFQWSA-N 306.370 -0.062 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC[C@H](OCCO)C1 337082402 ZPEFXRRYZVIWQP-RYUDHWBXSA-N 305.400 -0.204 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)NC[C@@H](O)CN1CCCCC1 337097265 RWQLNKFSKGWACB-QWHCGFSZSA-N 318.443 -0.241 30 20 DBED C[C@@H](CO)N1CCCN(S(=O)(=O)N(C)C[C@@H](C)C#N)CC1 337174261 HUVPTDNJRCXYAM-STQMWFEESA-N 318.443 -0.289 30 20 DBED C[C@@H]1CCNC(=O)[C@@H]1NCCS(=O)(=O)c1ccc(C#N)cn1 343938899 LPPDNWJNFXMBCI-ZWNOBZJWSA-N 322.390 -0.159 30 20 DBED N#CCN(CC#N)C(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 346783084 ZRHBUZMBYGUDDJ-IQIPOGNMSA-N 302.290 -0.975 30 20 DBED CCS(=O)(=O)NCC(=O)NCC(=O)c1ccc(C#N)cc1 356165399 OFWQDIASPHGLMX-UHFFFAOYSA-N 309.347 -0.204 30 20 DBED COC(=O)c1ncn(CCS(=O)(=O)c2ccc(C#N)cn2)n1 361085103 FWKUBRRYBCNHFT-UHFFFAOYSA-N 321.318 -0.195 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)N2CC(n3cncn3)C2)cc1 365248526 FZIUYGQSPADUFB-UHFFFAOYSA-N 310.317 -0.037 30 20 DBED CC1(C)CCCN[C@@H]1CNC(=O)C(=O)N1CCO[C@@H](C#N)C1 420158309 HEKBYHFXWHMOFW-NWDGAFQWSA-N 308.382 -0.368 30 20 DBED C=CCn1cc(CNC(=O)C(=O)NCCCNC2CC2)nn1 424525055 QJEGXISVYJCQAK-UHFFFAOYSA-N 306.370 -0.661 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2O[C@@H](C)C[C@H]2C)CC1 491045300 KFRKXNBCQSAHAS-VNHYZAJKSA-N 307.394 -0.307 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)C(C)(C)OC(C)=O)CC1 491071384 KOJVEJAZWHVZIA-UHFFFAOYSA-N 309.366 -0.778 30 20 DBED COC(=O)[C@H]1CN(C(=O)[C@H](C)n2cnc(C#N)n2)C[C@@H](C)O1 513395659 VAADVWWHDZOPPA-KXUCPTDWSA-N 307.310 -0.500 30 20 DBED N#C[C@H]1CN(S(=O)(=O)NCCCCn2ccnc2)CCO1 554518210 FLSRLSFQCRRGAS-LBPRGKRZSA-N 313.383 -0.278 30 20 DBED CC(=O)c1ccc(OC[C@H](O)CNCC(=O)NCC#N)cc1 563011938 RMQACHNCWIISRM-CYBMUJFWSA-N 305.334 -0.142 30 20 DBED CS(=O)(=O)N1CC[C@@H](Nc2nc3c(cc2C#N)COCC3)C1 578993353 UDCYQIGUFDRFDT-GFCCVEGCSA-N 322.390 0.472 30 20 DBED N#Cc1ccc(S(=O)(=O)CCNC[C@@H]2CCCNC2=O)nc1 591735164 VZFJQPPORZRSKF-LBPRGKRZSA-N 322.390 -0.157 30 20 DBED CC(C)[C@H](C#N)N1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)CC1 593443047 CHMFOCKCIQSDEB-RYUDHWBXSA-N 314.411 -0.630 30 20 DBED C[C@H](C#N)CN(C)C(=O)C(=O)N1CCN([C@@H]2CCOC2)CC1 595206095 QWFBPWIBBXHXIY-CHWSQXEVSA-N 308.382 -0.462 30 20 DBED N#CCSCC(=O)N1CCN(S(=O)(=O)C2CC2)CC1 600229302 JUKNDNLALZQEHI-UHFFFAOYSA-N 303.409 -0.120 30 20 DBED C[C@H](C[C@@H]1CCOC1)NS(=O)(=O)N1CCO[C@@H](C#N)C1 619712136 JXXHTJWDAUHXRL-WOPDTQHZSA-N 303.384 -0.140 30 20 DBED CCN1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)C[C@H]1C 619712651 STDHTZBAJQPNDF-VXGBXAGGSA-N 302.400 -0.518 30 20 DBED CC#CC[C@@H](CO)NC(=O)CC1CCN(S(C)(=O)=O)CC1 655160231 IHWLNALZJNLAHW-ZDUSSCGKSA-N 316.423 -0.061 30 20 DBED N#Cc1ccccc1N1CCN(CC(=O)NCC(=O)O)CC1 739146969 NFBLMBLZVWVXPZ-UHFFFAOYSA-N 302.334 -0.119 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCc3ncccc32)C1=O 770319190 UBSUBYLNGMUSLN-UHFFFAOYSA-N 314.301 -0.053 30 20 DBED CC(C)(C#N)CS(=O)(=O)NC(=O)CCN1CCCC1=O 776138330 YUZGEFVNCQRYME-UHFFFAOYSA-N 301.368 -0.005 30 20 DBED C=CCS(=O)(=O)CCNS(=O)(=O)c1cnn(CC)c1 782987068 IVGQRZZODWCPGW-UHFFFAOYSA-N 307.397 -0.218 30 20 DBED O=C(N[C@H]1CCCN(O)C1=O)c1ccc(-n2cnnn2)cc1 816755881 LATUMLVJEWMLOI-NSHDSACASA-N 302.294 -0.228 30 20 DBED O=C(N[C@H]1CCCN(O)C1=O)c1ccnc(-n2cncn2)c1 820482902 TZZWIKPRKTYOHG-JTQLQIEISA-N 302.294 -0.228 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N[C@H]1CCC(=O)N(C)C1=O 823457239 WHACDXGYPJKUIP-VIFPVBQESA-N 317.367 -0.966 30 20 DBED C=CCN(CC(=O)OCC)C(=O)CCNC(=O)[C@@H]1CCCN1 831457074 MVLXXMCDBOVTSI-LBPRGKRZSA-N 311.382 -0.178 30 20 DBED C=C[C@H](O)C(=O)NCCN(CCC(F)(F)F)C(=O)[C@H](O)C=C 834328943 XUSFMSGQAFPNAL-VHSXEESVSA-N 324.299 -0.023 30 20 DBED C=C[C@@H](C)ONC(=O)NCCS(=O)(=O)N1CCOCC1 845642355 PKUSTXSVVRCCPD-SNVBAGLBSA-N 307.372 -0.546 30 20 DBED CC#CC[C@H](CO)NC(=O)C1=C(C)N(C)c2nnnn2[C@@H]1C 848241796 XIESWGRHLPAWNQ-GHMZBOCLSA-N 304.354 -0.152 30 20 DBED C=C[C@H](C)ONC(=O)CS(=O)(=O)CC(=O)NO[C@H](C)C=C 848244765 DGFISFQECUGONP-AOOOYVTPSA-N 320.367 -0.354 30 20 DBED C=CCN1CC[C@H](n2cc(CN3CCNC(=O)C3)nn2)C1=O 883997024 WTSYYWCPUOGAHI-LBPRGKRZSA-N 304.354 -0.831 30 20 DBED C#CC[C@H](CO)NC(=O)N[C@H]1CCN(CCN2CCOCC2)C1 919070074 FRBSRGJDZLZMOX-LSDHHAIUSA-N 324.425 -0.924 30 20 DBED C=CCCOCC(=O)O[C@@H](C)C(=O)N[C@@H]1CCS(=O)(=O)C1 920724528 FERAAHAJAWNLDR-WDEREUQCSA-N 319.379 -0.186 30 20 DBED C#CCN1CCC[C@H](NC(=O)C(C)(C)NS(C)(=O)=O)C1 923572971 HVCUONAFNWNCRD-NSHDSACASA-N 301.412 -0.472 30 20 DBED C#CCN1CCN(C(=O)CN2Cc3nc(C)nc(O)c3C2)CC1 931317921 ISSLJJKOOSSIQP-UHFFFAOYSA-N 315.377 -0.416 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1 938275375 CWCARYVINQCLGF-NSHDSACASA-N 321.377 -0.032 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](N(C)C(=O)c2cn(C)c(O)n2)C1 939401426 KDZWIACYYUFZOD-ZJUUUORDSA-N 305.338 -0.042 30 20 DBED C=C1CC(C)(C(=O)N2C[C@H]3C[C@H]2[C@@H]3NC(=O)Cn2ncnn2)C1 947215266 IZSFNQZUFZIZMX-NTZNESFSSA-N 316.365 -0.255 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2CCN2C(=O)c2cnon2)nn1 950052398 GRURURQXAUHJJX-VIFPVBQESA-N 317.309 -0.508 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]1CNC(=O)c1cc(C(N)=O)c[nH]1 951834199 RJYHWMORFHUMMQ-SCZZXKLOSA-N 303.322 -0.396 30 20 DBED CN(C(=O)[C@@]1(C)CCNC1=O)C1CN(C(=O)C#CC2CC2)C1 955330119 IKWCZSCFJPYAFA-INIZCTEOSA-N 303.362 -0.405 30 20 DBED CN(C(=O)Cn1cncn1)C1CN(C(=O)c2ccc(C#N)[nH]2)C1 955377955 NFVTXLRYYJJILZ-UHFFFAOYSA-N 313.321 -0.539 30 20 DBED CC(=O)N1CC(C(=O)NC[C@@H]2CCCN2C(=O)C#CC2CC2)C1 956004096 AXYBXFBPKSXCBO-HNNXBMFYSA-N 317.389 -0.015 30 20 DBED C#CCOc1ncccc1C(=O)N1CCN([C@@H](C)C(N)=O)CC1 957375099 BAZALDLGADNMEF-LBPRGKRZSA-N 316.361 -0.275 30 20 DBED CC#CCN1C[C@@H](O)[C@@H](CNC(=O)c2nnn(C(C)(C)C)n2)C1 958076358 DTZWHDBDGLQVQO-NWDGAFQWSA-N 320.397 -0.526 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2cn(C(C)(C)C)nn2)C1 958125860 CPZWUNFINATKOX-YPMHNXCESA-N 305.382 -0.311 30 20 DBED CN(C)c1ccc(C(=O)NC[C@H]2CN(CC#N)C[C@H]2O)cn1 958202275 CIVHOSHRJBHOTF-QWHCGFSZSA-N 303.366 -0.306 30 20 DBED C[C@@H](NC(=O)c1ccc(C#N)[nH]1)[C@@H]1CCN(C(=O)CC(N)=O)C1 959090377 AVQSRZPGGZWBEZ-NXEZZACHSA-N 317.349 -0.271 30 20 DBED C#CCCN1C[C@H]2[C@H](NC(=O)c3ccc(=O)n(CC)n3)[C@H]2C1 962074714 NYJVJSWNFCTOLB-JYAVWHMHSA-N 300.362 -0.054 30 20 DBED C#CCCN1C[C@H]2[C@H](NC(=O)[C@H]3CCCCN3C(N)=O)[C@H]2C1 962274475 STLBNWODMXNPHE-RQJABVFESA-N 304.394 -0.011 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CN(C(=O)C=C(C)C)C[C@@H]2O)nn1 963302806 NQODOYGLLMSPKA-YPMHNXCESA-N 319.365 -0.268 30 20 DBED C[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)C1CS(=O)(=O)C1 966408087 KMIOAGNXPXOMLM-GXFFZTMASA-N 324.402 -0.593 30 20 DBED C#CCN1CCC(C(=O)N[C@@H](C)C2CN(CC(=O)NC)C2)CC1 970926754 XBEPUJNRZYFBIY-ZDUSSCGKSA-N 320.437 -0.486 30 20 DBED CC[C@H](C(N)=O)N1CCO[C@]2(CCN(C(=O)C#CC3CC3)C2)C1 972381015 KXCYWXLJEUGDCV-RHSMWYFYSA-N 319.405 -0.033 30 20 DBED C=CCN1CCO[C@]2(CCN(C(=O)C3CS(=O)(=O)C3)C2)C1 972398842 YXNLEIWCBFORTN-CQSZACIVSA-N 314.407 -0.480 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)[C@H]3CCC(=O)NC3)C2)C1 972442879 BAJQSWAEWKHPCK-BBRMVZONSA-N 305.378 -0.551 30 20 DBED C=CCN1CC[C@H](N2C[C@@H](NC(=O)C(N)=O)C(C)(C)C2)C1=O 974990421 AQHCSJGTEGJJKT-WDEREUQCSA-N 308.382 -0.915 30 20 DBED C[C@H]1CCN(C(=O)C(=O)N[C@H]2[C@@H]3CN(C(=O)[C@H](C)C#N)C[C@@H]32)C1 977228915 ADEKKFVUQCPXHF-OBPIAQAESA-N 318.377 -0.413 30 20 DBED C=CCN[C@H]1CCC[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 981361035 YAVGEIXVLWBSNJ-RYUDHWBXSA-N 320.393 -0.099 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)c3cnnn3C)C[C@H]2C1 986594338 JHJDOQSMWDDKNN-TUAOUCFPSA-N 316.365 -0.105 30 20 DBED C=C(C)CN[C@@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)[C@@H]1C 987577116 RVQMELIFYZOWTJ-GHMZBOCLSA-N 306.370 -0.468 30 20 DBED C=CCCn1cc(C(=O)N2CC[C@H](NC(=O)C(N)=O)[C@H]2C)nn1 989596192 DBJDFILIONJEPT-ZJUUUORDSA-N 320.353 -0.941 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1C 994644297 PHOREOORXRYMKP-LPWJVIDDSA-N 323.393 -0.336 30 20 DBED COc1cncc(C(=O)NCC2CN(C(=O)[C@H](C)C#N)C2)n1 1001876500 GDWZPOJNTKCDHW-SECBINFHSA-N 303.322 -0.167 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](NC(=O)c2cn(C)nn2)C(C)(C)C1 1008102124 GFDHGRKPOIXUEB-GXSJLCMTSA-N 304.354 -0.058 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2CCN([C@@H]3CCC(=O)NC3=O)C2)[nH]1 1010643346 MIJHFPAWPIMJIN-CMPLNLGQSA-N 315.333 -0.504 30 20 DBED C=CCn1cc(C(=O)N2CCN(C(=O)c3cnn[nH]3)CC2)nn1 1011155101 BGTPUYIPLBEQIY-UHFFFAOYSA-N 316.325 -0.820 30 20 DBED C[C@H]1C[C@H](NC(=O)Cn2cncn2)CN1C(=O)C#CC1CC1 1012589842 ZWELUZZRLLEUOU-AAEUAGOBSA-N 301.350 -0.203 30 20 DBED C#CCCN1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CCNC(=O)C1 1017794908 NKUCQGBOYRORRS-OKILXGFUSA-N 304.394 -0.883 30 20 DBED C#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)CCn1cc[nH]c(=O)c1=O 1018068354 AJIBPAWKZQIYHN-BETUJISGSA-N 316.361 -0.765 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@H](NCC(=O)N3CCC3)C2)c1 1018682821 SLDJKAFTAJGUBA-LBPRGKRZSA-N 301.350 -0.077 30 20 DBED C=C(Cl)CN[C@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 1018869848 CKNLXBFRPQVJLN-VIFPVBQESA-N 312.761 -0.680 30 20 DBED N#CCN1CC[C@H]2[C@@H](CCCN2C(=O)c2nnc(O)nc2O)C1 1021623434 OGONMXRPLQFWRS-UWVGGRQHSA-N 318.337 -0.267 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]2CN(C(=O)c3nnn(C)n3)C[C@H]21 1022572488 HJECQHLDTIRYKW-KXUCPTDWSA-N 303.326 -0.957 30 20 DBED CC(C)n1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2O)cn1 1024692914 DYHFRKSCGMEOHY-CYZMBNFOSA-N 319.365 -0.075 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](CNCc2nnn(C)n2)C1 1027075682 YFFNHPHTGAFAPI-XQQFMLRXSA-N 320.397 -0.261 30 20 DBED CN1CC(=O)N(CC(=O)N2CCC[C@H](N(C)CC#N)C2)C1=O 1027674386 XCBWCIAZRHQZIP-NSHDSACASA-N 307.354 -0.673 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2CCN(CC(=O)NC)C2)nn1 1028851387 NGULEUCRUXTSBL-NSHDSACASA-N 306.370 -0.738 30 20 DBED C=CCN1CC[C@H](N2CC(CNC(=O)c3ncc[nH]3)C2)C1=O 1031658752 VNOUOMSQJANWLA-LBPRGKRZSA-N 303.366 -0.142 30 20 DBED C=CCN1C[C@@H]2C[C@H]1CN2C(=O)c1nc(C)n(-c2nc[nH]n2)n1 1032551000 JXJITOUAYXMBQF-QWRGUYRKSA-N 314.353 -0.221 30 20 DBED C#CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cn(C[C@@H]2CCOC2)nn1 1032706402 MCEYEUCQWINFQB-IHRRRGAJSA-N 315.377 -0.154 30 20 DBED CC#CCN1CCCC[C@H](NC(=O)c2cn(CC(N)=O)nn2)C1 1034542959 CYKWUDFTFYFBDR-LBPRGKRZSA-N 318.381 -0.629 30 20 DBED C=C(Cl)CN1CCO[C@@H](CNC(=O)[C@H]2CN(C)C(=O)N2)C1 1035475823 MJMCKYBUUSXBOJ-WDEREUQCSA-N 316.789 -0.421 30 20 DBED N#CCN1CCO[C@@H](CNC(=O)c2ccc3nc(O)[nH]c3n2)C1 1035485363 QQCBKGPTVZHRAJ-VIFPVBQESA-N 316.321 -0.382 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)c2ccoc2CC(N)=O)C1 1035489168 XPBYSUGSBZCIHH-NSHDSACASA-N 305.334 -0.629 30 20 DBED CC(C)(C)n1cnc(C(=O)NC[C@@H]2CN(CC#N)CCO2)n1 1035508310 ROZNHJZESYYMID-LLVKDONJSA-N 306.370 -0.013 30 20 DBED C[C@@H](C(=O)N1CCC2(CC1)CN(CC#N)C2)N1C(=O)CCC1=O 1035717794 SZQANXJYFSRJQI-LBPRGKRZSA-N 318.377 -0.028 30 20 DBED C=CCN[C@H]1CCN(C(=O)CCn2ncn(C)c2=O)C[C@H]1C 1036115591 NRHVFNBSJQJVNG-OLZOCXBDSA-N 307.398 -0.016 30 20 DBED CC[C@H]1CN(C(=O)c2nnc(O)nc2O)CC[C@H]1NCC#N 1037887412 DTKXMIBETPHGJB-DTWKUNHWSA-N 306.326 -0.363 30 20 DBED C#CCCN1CC[C@H]1CNC(=O)c1ccc(=O)n(CCOC)n1 1038478939 YAKTWHZDDVRRTN-ZDUSSCGKSA-N 318.377 -0.283 30 20 DBED C#CCOCCC(=O)NC[C@@]1(O)CCN(C(=O)[C@H]2CC23CC3)C1 1039722219 TVTNKQFTGNOUIN-DYVFJYSZSA-N 320.389 -0.094 30 20 DBED C[C@H]1[C@@H](Nc2cnc(C#N)cn2)CCN1C(=O)[C@@H]1CCNC1=O 1040213225 KUIOALKFKVCONG-WCQGTBRESA-N 314.349 -0.114 30 20 DBED C#CCCCC(=O)N1CC[C@](O)(CNC(=O)[C@@H](C)CC(N)=O)C1 1040474635 BBEYYOGBEUMHFF-LRDDRELGSA-N 323.393 -0.619 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)Cc2cnoc2)C1 1040642599 YKGFDKFTWXLQJF-HZMBPMFUSA-N 306.322 -0.544 30 20 DBED N#Cc1cccnc1N1C[C@@H]2CCN(C(=O)Cn3ncnn3)[C@@H]2C1 1040723326 HLNSQEQOKDQPJX-QWHCGFSZSA-N 324.348 -0.323 30 20 DBED Cn1cccc1C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1O 1040916455 DHRBTLMDZZQZLU-ZYHUDNBSSA-N 312.333 -0.334 30 20 DBED C=CCn1cc(C(=O)N2CC(O)(CNC(=O)CCCC)C2)nn1 1041521743 JPYJRKXZGDQMAP-UHFFFAOYSA-N 321.381 -0.043 30 20 DBED N#CCSCC(=O)N1CC(O)(CNC(=O)c2cocn2)C1 1042047538 SYHQWZABRKFEKC-UHFFFAOYSA-N 310.335 -0.766 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)c2cncc(F)c2)C1 1042497064 ADRTUGFCLZDLBR-UHFFFAOYSA-N 323.324 -0.274 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)C[C@H]2CCN(C)C2)C1 1042938209 RLCNEXSLDUNMME-CQSZACIVSA-N 321.421 -0.323 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC(O)(CNC(=O)C#CC3CC3)C2)c1 1042958178 GIXOVROFWKADGY-UHFFFAOYSA-N 312.329 -0.397 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)CCCC(C)=O)C1 1043035674 ANKYTQGDIXBMLH-ZDUSSCGKSA-N 324.377 -0.527 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)CCc2cscn2)C1 1043693729 DJOSJGIKZJDFLM-SNVBAGLBSA-N 322.390 -0.075 30 20 DBED Cc1cc(N2C[C@H](O)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)ncn1 1043892415 XOFHFVQNPLCHIM-OLZOCXBDSA-N 312.333 -0.036 30 20 DBED N#CCN1CC[C@H](N2CCN(C(=O)[C@H]3COCCO3)CC2)C1 1046006127 GPAYVUSCVCEHCW-UONOGXRCSA-N 308.382 -0.856 30 20 DBED CC#CCN1CC[C@H](N2CCN(C(=O)c3cnnn3C)CC2)C1 1046029119 ZTOIXGOILLEYNV-AWEZNQCLSA-N 316.409 -0.330 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1C[C@H](CNC(=O)[C@H]2CNC(=O)N2)C1 1047009818 VAKZVQYIXWYFBT-IRUJWGPZSA-N 314.349 -0.637 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@]2(C)CCN(C(C)=O)C2)C1 1047589193 DCGLHZWFPHKKAF-YQQAZPJKSA-N 321.421 -0.228 30 20 DBED C=C(C)CCN1CCOC[C@H]1CNC(=O)C1CS(=O)(=O)C1 1050937078 OISKNZZEMLAESX-CYBMUJFWSA-N 316.423 -0.186 30 20 DBED N#Cc1nccnc1NC1CC(CNC(=O)[C@@H]2CCNC2=O)C1 1052046898 LAHJTAOCXJFWKN-VQXHTEKXSA-N 314.349 -0.209 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCCN(CC(=O)NC)CC1 1052457741 VGWVLEIKDSWVNU-CABCVRRESA-N 320.437 -0.199 30 20 DBED C#CCCN1CCC[C@@H](NC(=O)CN2CC(=O)NC2=O)CC1 1052798770 XSTRDWWFACIWJT-GFCCVEGCSA-N 306.366 -0.468 30 20 DBED CC1(C)C(=O)NC(=O)N1CC(=O)N[C@@H]1CCCN(CC#N)CC1 1052843299 JTYKPIRAXDCDNE-LLVKDONJSA-N 321.381 -0.189 30 20 DBED C=CCN1CC2(C1)CN(C(=O)CC[C@@H]1NC(=O)NC1=O)CCO2 1053526912 BUGYTILIAQJJQM-NSHDSACASA-N 322.365 -0.926 30 20 DBED C=CCN1CC2(C1)CN(C(=O)c1ccc(C(N)=O)nc1)CCO2 1053550036 IUWKORDQGHHLON-UHFFFAOYSA-N 316.361 -0.107 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1COC2(C1)CN(CCO)C2 1053805808 XVZHZNNRSMGYAG-MCIONIFRSA-N 310.394 -0.081 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)c3nccn4ccnc34)CO2)C1 1053929249 VGUWDCURBODBCY-GFCCVEGCSA-N 311.345 -0.064 30 20 DBED Cn1cccc(C(=O)N[C@H]2COC3(C2)CN(CC#N)C3)c1=O 1053986141 IXBRJEJTTUVUBR-LLVKDONJSA-N 302.334 -0.518 30 20 DBED CC(=O)N(C)CC(=O)N1C[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2C1 1055185065 UTBZRHHVLFQFOP-GASCZTMLSA-N 317.389 -0.205 30 20 DBED Cc1nc[nH]c1C(=O)N[C@@]1(CO)CCCN(C(=O)[C@@H](C)C#N)C1 1056007735 IUBSRNMBSGJVMU-BONVTDFDSA-N 319.365 -0.039 30 20 DBED C[C@H](C#N)C(=O)N[C@]1(CO)CCCN(C(=O)c2cc[nH]n2)C1 1056092917 FNGNRCCILQKUOW-QMTHXVAHSA-N 305.338 -0.347 30 20 DBED N#Cc1cncc(N2C[C@@H]3C(NC(=O)[C@@]45COC[C@@H]4C5)[C@H]3C2)n1 1056450611 BUJUMUUSSSQUSV-COAQGJIASA-N 311.345 -0.064 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCC[C@H]2CN(C(=O)C(N)=O)C[C@H]21 1056656963 WUWVONJEOMMJDU-FIXISWKDSA-N 309.366 -0.752 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)c1cc(C)n(C)n1 1057106900 BGLHBIAIXZUKJX-UHFFFAOYSA-N 324.381 -0.518 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)[C@]1(C)CCNC1=O 1057170872 FBYRXZQDOMUMAQ-OAHLLOKOSA-N 311.382 -0.584 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)C[C@@H]1CCC(=O)N1C 1058281346 UEPJKGHFNBBDBM-RYUDHWBXSA-N 324.381 -0.906 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)[C@@H]1[C@H]2COC[C@H]21 1058446292 WQKVBKXYKWDAEG-IMRBUKKESA-N 312.366 -0.982 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)C[C@H](C)n1cccn1 1058656913 MVZLWBVPAJYREJ-STQMWFEESA-N 321.381 -0.069 30 20 DBED C[C@@H](C(=O)N1CC[C@H](Nc2ccc(C#N)nn2)C1)S(C)(=O)=O 1059109190 FQFCRNVFVQNXKC-ONGXEEELSA-N 323.378 -0.206 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC[C@H](CCNC(=O)CC(N)=O)C1 1059555193 OILOYMZIPRDUCC-XHDPSFHLSA-N 311.382 -0.456 30 20 DBED N#Cc1cnc(NC[C@@H]2CCN(C(=O)[C@H]3COC(=O)N3)C2)cn1 1060865196 MGIFAUZAAHICSU-GXSJLCMTSA-N 316.321 -0.283 30 20 DBED CC(C)C#CC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1CCN(C)C1 1061568221 DNIKJTJXJBHAMV-CABCVRRESA-N 321.421 -0.059 30 20 DBED Cc1nccn1CC(=O)NC[C@H]1COCCN1C(=O)[C@H](C)C#N 1061598873 GVMNXYRSLAZLRW-YPMHNXCESA-N 319.365 -0.305 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)CCc1cn[nH]c1 1061618589 GSPSCDJWPCYQNS-WCQYABFASA-N 319.365 -0.154 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)Cn1ccnc1 1061850803 CFPBBSDKXBETCU-RYUDHWBXSA-N 305.338 -0.614 30 20 DBED N#Cc1nccnc1N1C[C@@H]2C[C@H]1CN2C(=O)CCn1cncn1 1062438283 HERBZSWWUZXKPH-RYUDHWBXSA-N 324.348 -0.180 30 20 DBED N#Cc1nccnc1N1CCO[C@H](CNC(=O)c2cn[nH]c2)C1 1063609346 HQEOZIXKAQRIOK-LLVKDONJSA-N 313.321 -0.293 30 20 DBED Cn1cc(C(=O)N[C@H]2[C@H]3C[C@H]2N(c2ccc(C#N)nn2)C3)nn1 1064242921 WEQLFCCEIKGGFM-KDDOJWQBSA-N 310.321 -0.516 30 20 DBED N#Cc1cnc(N2CCC[C@@]3(CCN(C(=O)C(N)=O)C3)C2)cn1 1064567799 XYOFNDPYACYFEF-OAHLLOKOSA-N 314.349 -0.348 30 20 DBED N#Cc1cncc(NC[C@@H]2CN(C(=O)c3cnn[nH]3)CCO2)n1 1066691568 WNNMDJZVBPKHKF-SNVBAGLBSA-N 314.309 -0.581 30 20 DBED N#Cc1cncc(NCC2CC(NC(=O)[C@H]3CCC(=O)N3)C2)n1 1067835017 ODGDONXOWABXSE-RTYFJBAXSA-N 314.349 -0.066 30 20 DBED N#Cc1cncc(NCC2CC(NC(=O)[C@@H]3CNC(=O)N3)C2)n1 1067883222 KUJNHVKXJLYQIM-AMUVOQDHSA-N 315.337 -0.664 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1COC2(C1)CN(C(=O)c1cnns1)C2 1069004041 SABIJWDQRPHVJC-IUCAKERBSA-N 321.362 -0.203 30 20 DBED C#CCN1CCn2ncc(CNC(=O)[C@@H]3CCN(C)C3=O)c2C1 1069870465 XBCOYBZRMQJPSK-ZDUSSCGKSA-N 315.377 -0.574 30 20 DBED COc1nc(C(=O)N2C[C@H](n3ccnn3)[C@H](NCC#N)C2)co1 1070243793 LPCASHZOWFWZCM-KOLCDFICSA-N 317.309 -0.546 30 20 DBED CC(C)C#CC(=O)N1CCC[C@@H](NC(=O)c2nnn(C)n2)C1 1070701062 BQGCQDIQESOYGT-LLVKDONJSA-N 304.354 -0.410 30 20 DBED C[C@H](C(=O)N1C[C@H]2C[C@@H]3CN(CC#N)C[C@]2(C1)O3)n1cncn1 1070789577 CXFIWKLMKCBUQV-RGCMKSIDSA-N 316.365 -0.336 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)[C@H]4CCCC(=O)N4)C[C@@]3(C1)O2 1070814785 JRJXOGFAGFOAFE-VMUDFCTBSA-N 317.389 -0.410 30 20 DBED C=CCOCC(=O)N[C@@H]1CCCN(C(=O)C(C)(C)C(N)=O)C1 1070875464 XPXVQDKYBHNEEC-LLVKDONJSA-N 311.382 -0.192 30 20 DBED C=CCN1CC[C@]2(C1)CN(C(=O)Cn1cnnc1O)C[C@@H](C)O2 1071149438 MIGDHTDBWVAYDF-DOMZBBRYSA-N 321.381 -0.139 30 20 DBED C#CCCN1C[C@@H](NC(=O)CN2CCC(=O)NC2=O)CC[C@@H]1C 1071969939 CNTMWMNMGSBJQV-STQMWFEESA-N 320.393 -0.079 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)c2cnc(O)n2C)C[C@H]1C 1072502469 ZPTCBSWRSDGCHR-GHMZBOCLSA-N 322.365 -0.095 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CCN(C(=O)Cn2cnnn2)C[C@@H]1C 1073933829 YKEIPHNVYQVCNB-QWHCGFSZSA-N 318.381 -0.314 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)c3cnnn3CC)C[C@@H]21 1074236881 RTZAZHORDMNTHV-UONOGXRCSA-N 303.366 -0.154 30 20 DBED C=C(C)CN[C@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)[C@H]1C 1075115537 FYSXESFLHBTDLY-SRVKXCTJSA-N 301.412 -0.167 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN2C2CCOCC2)C1 1077128807 GCEAOZWVUMOGKN-QLFBSQMISA-N 322.409 -0.685 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(Cc2cncn2C)C[C@H]1O 1077694234 JOOSCMQNIWXETJ-TUVASFSCSA-N 320.393 -0.328 30 20 DBED C=CCN[C@H]1C[C@@H](NC(=O)Cn2c(O)nnc2O)C12CCC2 1078795781 UHHNNCBHPITVCK-VHSXEESVSA-N 307.354 -0.108 30 20 DBED C=CCCOCC(=O)N(C)[C@@H]1CCCN(C(=O)C(N)=O)CC1 1078991431 RZZIUMYJFSBJTD-GFCCVEGCSA-N 311.382 -0.096 30 20 DBED C#CCNC(=O)CC(=O)N1CC(N(CC)C(=O)[C@@H](C)OC)C1 1079402279 DVPHNZYIWVEJEI-LLVKDONJSA-N 309.366 -0.780 30 20 DBED CCN(C(=O)Cn1nccn1)C1CN(C(=O)C#CC2CC2)C1 1079847285 YAZXICKXVSSALB-UHFFFAOYSA-N 301.350 -0.249 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CO)(NC(=O)Cn2cccn2)CC1 1080718224 HKYWOHHZQAGOPP-LBPRGKRZSA-N 319.365 -0.488 30 20 DBED C=CCCC(=O)N1CCC(CO)(NC(=O)Cc2nc[nH]n2)CC1 1081013603 VZHNRZFXGHLLFN-UHFFFAOYSA-N 321.381 -0.217 30 20 DBED O=C(CN1CCCC1)NC[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1081499847 PGPYTVNNQBVUED-LSDHHAIUSA-N 319.405 -0.569 30 20 DBED CC#CCCCC(=O)NC[C@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1O 1081672361 XINGQQPHZCPIID-NWDGAFQWSA-N 319.365 -0.453 30 20 DBED C=CCN1C[C@@H](NC(=O)c2cccnc2C(N)=O)[C@H](OC)C1 1082380770 GVUXAQWMUKBDGO-VXGBXAGGSA-N 304.350 -0.205 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCCn3nccc32)C1 1083580995 GXXYKMHKKMPSGP-GUTXKFCHSA-N 302.378 -0.055 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCN(C(=O)CC)C2)C1 1083926556 CBBFBPZPLBCODY-MJBXVCDLSA-N 307.394 -0.571 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)c2ccc(C(=O)NC)nc2)C1 1083963961 PFKNMFGWMKGUII-KGLIPLIRSA-N 316.361 -0.761 30 20 DBED C=CCN1CC[C@@H]2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)C[C@@H]21 1084960813 PBAZMGUQZFUKDJ-WOPDTQHZSA-N 306.366 -0.307 30 20 DBED C#CCN1CC[C@@H]2CCN(C(=O)C[C@@H]3CC(=O)NC3=O)C[C@@H]21 1085107971 YJIKNGZKBINVGG-AGIUHOORSA-N 303.362 -0.405 30 20 DBED Cn1cc([C@@H]2CN(C(=O)[C@@H]3COCCO3)C[C@H]2NCC#N)cn1 1086968788 MVRPLQMLWJQZKY-MJBXVCDLSA-N 319.365 -0.757 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CCN(CCS(C)(=O)=O)C[C@H]2C1 1087911098 KGMHAYYCUDFYLM-UPJWGTAASA-N 313.423 -0.029 30 20 DBED C=CCN1C[C@H](NC(=O)[C@H]2CNC(=O)N2)CC2(CCOCC2)C1 1089952222 GQYMGCLZENHPJP-CHWSQXEVSA-N 322.409 -0.159 30 20 DBED C#CCN1C[C@H](NC(=O)Cc2nc[nH]n2)CC2(CCOCC2)C1 1089965156 WDMHWMAFLPCRGI-CYBMUJFWSA-N 317.393 -0.032 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)c2cc(=O)n(C)cn2)[C@@H](O)C1 1090337529 SADLQMSSOKQZCT-AAEUAGOBSA-N 306.366 -0.479 30 20 DBED CSCCC(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1091066841 DTZLIXBIJDOSOC-MNOVXSKESA-N 307.379 -0.233 30 20 DBED CC(C)OCC(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1091078307 KSSFLKVNAFKZDL-NEPJUHHUSA-N 305.338 -0.561 30 20 DBED CC(C)N(C)CC(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@@H]1O 1091116860 CHKQNQZTBVXMMN-CABCVRRESA-N 317.393 -0.041 30 20 DBED C=C(C)CN1C[C@@H](C)[C@H](CNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 1093011985 VVARGWSWMKAUIJ-UTUOFQBUSA-N 308.382 -0.155 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@H]2CN(c3nccc(C)n3)C[C@H]12 1093265266 BRWBPJYRNGPWTD-RYUDHWBXSA-N 313.361 -0.525 30 20 DBED CC(C)[C@H]1N(C(=O)c2cnn[nH]2)C[C@@]12C[C@@H](O)[C@H](NCC#N)C2 1093460220 YLDKGUMGIOWSES-BPGGGUHBSA-N 318.381 -0.092 30 20 DBED CC(=O)N1CCOC[C@@H]1C(=O)NCCN=c1cc[nH]cc1C#N 1093653012 BFTKHVKZHOOVJE-CQSZACIVSA-N 317.349 -0.849 30 20 DBED N#Cc1cnc(NCCNC(=O)CNC(=O)C2CCC2)cn1 1093673306 ONZITQFWBKOCPA-UHFFFAOYSA-N 302.338 -0.207 30 20 DBED N#Cc1cnc(NCCNC(=O)[C@@H]2CCCCS2(=O)=O)cn1 1093923035 RNQVCJIXNUNFRS-NSHDSACASA-N 323.378 -0.156 30 20 DBED CN1C(=O)CC[C@H]1CC(=O)NCCNc1cnc(C#N)cn1 1094055973 SQEYTNMFEKCXFS-NSHDSACASA-N 302.338 -0.113 30 20 DBED C#CCN1CCN(C(=O)[C@@H](C)SC)[C@@H]2CS(=O)(=O)C[C@@H]21 1094609402 ZETYOADPFVHWPW-GRYCIOLGSA-N 316.448 -0.319 30 20 DBED C#CCCN1CCN(C(=O)C#CC2CC2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094630718 AVDKEHCVLFJIHV-LSDHHAIUSA-N 320.414 -0.267 30 20 DBED Cc1nc[nH]c1C(=O)N1CCN(CC#N)[C@H]2CS(=O)(=O)C[C@H]21 1094686540 VYUBAQUMMWQJJO-WDEREUQCSA-N 323.378 -0.835 30 20 DBED CCNC(=O)CCC(=O)N1CC[C@@H](N=c2cc[nH]c(C#N)n2)C1 1095028404 FWOLLKMZJNFOEV-LLVKDONJSA-N 316.365 -0.301 30 20 DBED CCN(CCCNC(=O)Cn1cncn1)c1ccc(C#N)nn1 1095883583 QJZCCEKTKAPIDX-UHFFFAOYSA-N 314.353 -0.027 30 20 DBED COCCOCCC(=O)N[C@H]1C[C@H](N=c2cc[nH]c(C#N)n2)C1 1097036931 FJROQVHWRWOKKD-HAQNSBGRSA-N 319.365 -0.118 30 20 DBED C[C@@H](CNC(=O)C[C@@H]1CCC(=O)N1)Nc1cnc(C#N)cn1 1097950446 OXNMUQJOLQFTPK-UWVGGRQHSA-N 302.338 -0.066 30 20 DBED C[C@@H](CNC(=O)C(=O)NCC1CC1)Nc1nccnc1C#N 1098012683 NKGZCOSDXIKAHU-VIFPVBQESA-N 302.338 -0.209 30 20 DBED CCN1CCOC[C@H]1C(=O)NC[C@H](C)Nc1ccc(C#N)nn1 1098128584 JLKGSQRCUIFFEZ-AAEUAGOBSA-N 318.381 -0.014 30 20 DBED C=CCNCc1cn([C@H]2CCN(C(=O)c3cnn(C)n3)C2)nn1 1098746181 RGWFWOWRAIDTNA-LBPRGKRZSA-N 316.369 -0.231 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(Cc2cnn(C)c2)C[C@@H]1O 1099741335 RKUIUVSJBUCDEH-KGLIPLIRSA-N 308.382 -0.326 30 20 DBED C#CCCCC(=O)N[C@H]1CCN(CC(=O)N2CCC2)C[C@H]1O 1099806720 FPEKSFNJTYOJMK-UONOGXRCSA-N 307.394 -0.426 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CCN(CC(=O)N2CCC2)C[C@H]1O 1099821301 SQQZYJSLTWLHGW-ZIAGYGMSSA-N 307.394 -0.571 30 20 DBED CN1CCC(OCC(=O)N[C@H]2CCN(CC#N)C[C@@H]2O)CC1 1100056404 UORDIIQYJGGPEE-KBPBESRZSA-N 310.398 -0.828 30 20 DBED C=CCN1CC[C@@H](NC(=O)COCc2nncn2C)[C@@H](O)C1 1100057394 FNFYZSQQRZVPMV-NEPJUHHUSA-N 309.370 -0.931 30 20 DBED C=CCNC(=O)CNC1CC(CNC(=O)[C@H]2CCC(=O)N2)C1 1100183320 MDWVLMCMMLTULJ-HTAVTVPLSA-N 308.382 -0.948 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)c2ccnnc2)C1 1100702470 UPTOVNRCBMVMCY-UHFFFAOYSA-N 301.350 -0.676 30 20 DBED N#Cc1nccnc1N1CC[C@@H](CNC(=O)CCCC(N)=O)C1 1100987936 AQILUCUYXDXAAG-NSHDSACASA-N 316.365 -0.054 30 20 DBED C[C@H](CNC(=O)C1(C(N)=O)CC1)CNc1cnc(C#N)cn1 1104192245 WKAHJCJFWOYTFO-VIFPVBQESA-N 302.338 -0.222 30 20 DBED Cc1cc(C(=O)NC[C@H](O)CN=c2cc[nH]cc2C#N)no1 1105710006 TYSJDZVQVGHNOD-LLVKDONJSA-N 301.306 -0.126 30 20 DBED CC(=O)NCC(=O)NC[C@@H](O)CNc1nc(C)ccc1C#N 1105712133 TZZSFLXJZFMPNO-GFCCVEGCSA-N 305.338 -0.713 30 20 DBED N#Cc1nc(=NC[C@@H](O)CNC(=O)/C=C/c2ccco2)cc[nH]1 1105712381 ZZDCNJGIHUOAQG-PGLGOXFNSA-N 313.317 -0.034 30 20 DBED Cn1cc(C(=O)NC[C@H](O)CNc2ccc(C#N)nn2)cn1 1105716296 OGULCFSDEHOVQA-LLVKDONJSA-N 301.310 -0.715 30 20 DBED CSC[C@@H](C)C(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1 1105750286 JLTRYFUGKOINCV-ZJUUUORDSA-N 309.395 -0.342 30 20 DBED Cc1cc(=NC[C@H](O)CNC(=O)[C@H]2CCCN2C)c(C#N)c[nH]1 1105754868 INPOOHJYHJWWOK-DZGCQCFKSA-N 317.393 -0.333 30 20 DBED N#Cc1cccnc1NC[C@@H](O)CNC(=O)[C@H]1COCCO1 1105780733 UQZRMIMPEYVBHX-VXGBXAGGSA-N 306.322 -0.742 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)[C@H](C)CC(N)=O)C[C@H]1C 1106527124 IOMABNBNIXSMKA-MGPQQGTHSA-N 309.410 -0.168 30 20 DBED Cn1ccc(=O)c(C(=O)NC/C=C/CN=c2cc[nH]c(C#N)n2)c1 1107595073 UVRJDIAAZSEUEW-NSCUHMNNSA-N 324.344 -0.133 30 20 DBED C=CCOCC(=O)NC[C@@]1(C)CN([C@@H]2CCNC2=O)CCO1 1107811292 KTWBYNXGFRBUSD-DOMZBBRYSA-N 311.382 -0.715 30 20 DBED COCCO[C@@H](C)C(=O)N[C@H](C)CN=c1cc[nH]c(C#N)n1 1107930149 LSFNJVKQRLIRIP-MNOVXSKESA-N 307.354 -0.262 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)COc1cnn(C)c1 1108077696 XVPUEIQUNQVBQB-SNVBAGLBSA-N 315.337 -0.501 30 20 DBED C[C@@]1(CNC(=O)COC2CCOCC2)CN(CC#N)CCO1 1108253629 OHLFERVVIYMDEA-OAHLLOKOSA-N 311.382 -0.087 30 20 DBED C#CCN1CCN(C(=O)C[C@@H](C)OC)[C@@H]2CS(=O)(=O)C[C@@H]21 1108463685 RWCJZDDRHAIQJM-FRRDWIJNSA-N 314.407 -0.646 30 20 DBED C=CCCN1CC(N2C[C@H](NC(=O)CCNC(N)=O)CC2=O)C1 1108590610 NJLFLUODWHYSFA-LLVKDONJSA-N 323.397 -0.978 30 20 DBED Cc1cc(=NC[C@H](C)NC(=O)[C@H]2CN(C)C(=O)N2)c(C#N)c[nH]1 1108635639 OAUSQDJCYICOFL-GXFFZTMASA-N 316.365 -0.376 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCn1cnnn1 1109881202 HWUMWGYBFZTJND-RDBSUJKOSA-N 318.381 -0.566 30 20 DBED N#Cc1cnc(NC2(CNC(=O)CC(N)=O)CCOCC2)cn1 1110979660 XOTBLJWLUHGQII-UHFFFAOYSA-N 318.337 -0.699 30 20 DBED N#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCn1cc[nH]c(=O)c1=O 1111152332 SXJIGGVUEWKBOC-UTUOFQBUSA-N 317.349 -0.828 30 20 DBED N#Cc1cccnc1NC1CCN(CCNC(=O)C(N)=O)CC1 1111322344 DPDCHNSJVOZOSL-UHFFFAOYSA-N 316.365 -0.569 30 20 DBED CCO[C@H]1C[C@@H]1C(=O)N(CCO)CCN=c1cc[nH]c(C#N)n1 1111425364 GQJRZABLZZTAIV-RYUDHWBXSA-N 319.365 -0.572 30 20 DBED CC(C)(C)C(=O)C(=O)N(CCO)CCN=c1cc[nH]c(C#N)n1 1111437199 OREGGDJFMGXAHE-UHFFFAOYSA-N 319.365 -0.382 30 20 DBED CNC(=O)CC(=O)N1C[C@@H](C)[C@@H](N=c2cc[nH]c(C#N)n2)C1 1112308686 LMSUQZPAXGPUAC-ZJUUUORDSA-N 302.338 -0.835 30 20 DBED C[C@H]1CN(C(=O)CC(=O)N(C)C)C[C@@H]1N=c1cc[nH]c(C#N)n1 1112338168 MMWOUXPXTOHGML-QWRGUYRKSA-N 316.365 -0.493 30 20 DBED C#CCNC(=O)CC(=O)N1CCN([C@@H](C)c2csnn2)CC1 1112777701 ITXQSGHPOMQHLU-NSHDSACASA-N 321.406 -0.117 30 20 DBED N#Cc1c[nH]ccc1=NCC1CC(NC(=O)CNC(N)=O)C1 1112815787 FJHUECXHIJUMIK-UHFFFAOYSA-N 302.338 -0.650 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)[C@@]23COC[C@@H]2C3)CC1 1112867391 OKJFAYBUEFJTNE-XEZPLFJOSA-N 305.378 -0.695 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)c2c(C)nnn2CC)CC1 1112960063 BBVRIQFEWRJPAA-UHFFFAOYSA-N 320.397 -0.334 30 20 DBED C[C@@H](NC(=O)Cn1cnnc1O)[C@@H](C)Nc1nccnc1C#N 1112978503 MUSGTBGANKISDW-RKDXNWHRSA-N 316.325 -0.349 30 20 DBED C[C@H](NC(=O)Cn1cncn1)[C@@H](C)Nc1cncc(C#N)n1 1113030895 IEKFUZNRRUQAKI-ZJUUUORDSA-N 300.326 -0.055 30 20 DBED C[C@@H](NC(=O)C1(C(N)=O)CC1)[C@@H](C)Nc1cncc(C#N)n1 1113274594 SYIPMXSPQJZZRQ-RKDXNWHRSA-N 302.338 -0.081 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)CSCC#N)[C@H]2C1 1113890933 JPBZBAIKNYKOMY-QWRGUYRKSA-N 306.391 -0.961 30 20 DBED N#CCSCC(=O)N[C@H]1[C@@H]2CN([C@H]3CCCNC3=O)C[C@@H]21 1113897471 VRZZJNRYCWRGQO-SRRSOLGSSA-N 308.407 -0.432 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@@H](CC)OCC)[C@H]2C1 1113976571 IQCNGQDFOZYFAK-COMQUAJESA-N 307.394 -0.403 30 20 DBED C#CCO[C@H](C)C(=O)NC1[C@@H]2CN(Cc3nnc(C)o3)C[C@@H]12 1114270553 HSNUVNKCCZSZIU-YUSALJHKSA-N 304.350 -0.037 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)c3c[nH]nc3CC)[C@@H]2C1 1114502525 WRPBTHWRELCTHJ-VXGBXAGGSA-N 315.377 -0.619 30 20 DBED C#CCCN1C[C@@H]2C(NC(=O)CCn3ncn(C)c3=O)[C@H]2C1 1114618311 AXXJACDCVZFECO-RYUDHWBXSA-N 303.366 -0.958 30 20 DBED C[C@@H]1C[C@H](CNc2nccnc2C#N)CN1C(=O)CNC(N)=O 1114666799 IBIOWGMSMZAFLS-NXEZZACHSA-N 317.353 -0.335 30 20 DBED C[C@@H](CCCNc1ccc(C#N)nn1)NC(=O)CNC(N)=O 1114837106 WAIIXJSHSFAYMM-VIFPVBQESA-N 305.342 -0.287 30 20 DBED Cc1cc(=N[C@@H](CO)CNC(=O)C2CCOCC2)c(C#N)c[nH]1 1120987281 WDCCZQWCAMBEOJ-CQSZACIVSA-N 318.377 -0.001 30 20 DBED COc1cc(C(=O)NC[C@H](CO)Nc2nccnc2C#N)on1 1121465028 PSBYZSRRZRSJCP-MRVPVSSYSA-N 318.293 -0.452 30 20 DBED CN1CC[C@H](CC(=O)NC[C@H](CO)Nc2cncc(C#N)n2)C1 1121806362 KIODAHNWUPZTQE-DGCLKSJQSA-N 318.381 -0.421 30 20 DBED CCCN(C)CC(=O)NC[C@H](CO)Nc1cncc(C#N)n1 1121886911 ANBYTOYQGYAWQD-GFCCVEGCSA-N 306.370 -0.421 30 20 DBED Cc1cnoc1C(=O)NC[C@H](CO)N=c1cc[nH]cc1C#N 1122002677 GGPDKSNTDMIVMD-LLVKDONJSA-N 301.306 -0.126 30 20 DBED N#Cc1cccnc1N[C@H](CO)CNC(=O)[C@@H]1[C@H]2COC[C@H]21 1122373165 WVVKUCSCSMLLRV-WUHRBBMRSA-N 302.334 -0.265 30 20 DBED O=C(Cn1cnnn1)NCCNCC#Cc1ccc(F)cc1 1123303722 BTIRWLYOVBCMCQ-UHFFFAOYSA-N 302.313 -0.430 30 20 DBED COCCN(CCNC(=O)[C@@H](C)OC)c1ccc(C#N)nn1 1126238001 HQUQEHGTCUYAKN-LLVKDONJSA-N 307.354 -0.048 30 20 DBED C#CCCCC(=O)NCCNCC(=O)N1CCC[C@@H](C(N)=O)C1 1126356145 LIOWXBKPYCOGAT-CYBMUJFWSA-N 322.409 -0.780 30 20 DBED C=C[C@](C)(O)CC(=O)NCCNCc1nnc2n1CCOC2 1126364868 CMKKDIXJCWKHDV-AWEZNQCLSA-N 309.370 -0.659 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)c1nnn(C(C)(C)C)n1 1127773032 OLGASDBSVLNHSJ-JTQLQIEISA-N 323.401 -0.562 30 20 DBED COCCN1C[C@H](n2ccnn2)[C@H](NC(=O)C#CC(C)C)C1 1128971100 FVVQCAFMKHADIG-KGLIPLIRSA-N 305.382 -0.075 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)C[C@@H](C)NC(N)=O)C1 1129003345 AIXISFYHSGOCNK-UTUOFQBUSA-N 321.385 -0.748 30 20 DBED CC#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)CN(CC)CC)C1 1129337762 WUAAQXZMSUVUPL-CABCVRRESA-N 318.425 -0.015 30 20 DBED C=C[C@@](C)(O)CC(=O)N1C[C@H](n2ccnn2)[C@H](NCCF)C1 1129795693 MNWXEMCBUUPOFM-MBNYWOFBSA-N 311.361 -0.084 30 20 DBED COCC#CCNCCNC(=O)Cc1ccc(C(N)=O)nc1 1130253412 VUQGRSMFWYDMKU-UHFFFAOYSA-N 304.350 -0.921 30 20 DBED CC#CCN1CC[C@@]2(C1)CN(C(=O)CNC(C)=O)C[C@@H](C)O2 1131623757 AOCIVEMQSOPSEL-CZUORRHYSA-N 307.394 -0.162 30 20 DBED C=CCN1CC[C@@]2(C1)CN(C(=O)CNC(=O)NC)C[C@@H](C)O2 1131666801 SEPMXVPLXPPHFB-IUODEOHRSA-N 310.398 -0.207 30 20 DBED C=CCCCN1CCN([C@H]2CCCN(C(=O)C(N)=O)C2)C(=O)C1 1131717322 PXXNTCYUQBJDNO-ZDUSSCGKSA-N 322.409 -0.427 30 20 DBED COCCS(=O)(=O)CC(=O)N[C@@H]1CC[C@@H](C)N(CC#N)C1 1132139669 BFEAVQRLHDDXFS-VXGBXAGGSA-N 317.411 -0.460 30 20 DBED C#CCNC(=O)CN1C[C@H](NC(=O)c2ccncn2)CC[C@H]1C 1132372318 PXIVUUBXDZOFLH-CHWSQXEVSA-N 315.377 -0.191 30 20 DBED C=C(C)CN(CC)C(=O)CNCCNC(=O)[C@@H]1CCC(=O)N1C 1132519632 FWLQWTMGQOBGRJ-ZDUSSCGKSA-N 324.425 -0.262 30 20 DBED CC#CCNC[C@H]1CN(C(=O)Cn2ncn(C)c2=O)CC[C@H]1C 1132931713 CIOUYMIINKGTIA-KGLIPLIRSA-N 319.409 -0.321 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@H]1CCCc2nc[nH]c21 1133663139 CKMVGHFHPIDCOG-NSHDSACASA-N 303.366 -0.715 30 20 DBED COc1cccc(OCC(=O)NCCNCC(=O)NCC#N)c1 1134145065 OYCPRYAAYDXKSH-UHFFFAOYSA-N 320.349 -0.580 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)[C@H](C)OCCOC)C1=O 1134663657 QGEPVJZUELWXJO-QWHCGFSZSA-N 313.398 -0.469 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)CN(C)CCC 1135976944 OLPLJALQKQHHLP-UONOGXRCSA-N 310.442 -0.050 30 20 DBED COCC#CCNCCNC(=O)C1(N2CCOCC2)CCC1 1136106081 WEYGFGQVJFXSRS-UHFFFAOYSA-N 309.410 -0.403 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC2(CN(C(=O)CCN(C)C)C2)C1 1148215649 DYZGNUSSHKNQAD-CQSZACIVSA-N 320.437 -0.390 30 20 DBED C#Cc1ccccc1CC(=O)NCCN[C@@H](C)C(=O)NC(N)=O 1149131486 ZMXHUTGVZIMAIU-NSHDSACASA-N 316.361 -0.500 30 20 DBED CC#CCN1CCCO[C@H](CNC(=O)C(C)(C)NC(=O)NC)C1 1150778318 KNLXZHGPBIMZSP-CYBMUJFWSA-N 324.425 -0.076 30 20 DBED C=CCNC(=O)CNCCCNC(=O)C[C@@H]1CCC(=O)NC1 1159761975 ISRVZFJTFUCEBF-LBPRGKRZSA-N 310.398 -0.699 30 20 DBED COCC#CCNCCCNC(=O)CC1CS(=O)(=O)C1 1161434115 SVHPPLUVBCUTHP-UHFFFAOYSA-N 302.396 -0.833 30 20 DBED C=CCCn1cc(C(=O)NCCCN[C@H]2CCCNC2=O)nn1 1167992252 UUQWWPHJRGJUCO-LBPRGKRZSA-N 320.397 -0.158 30 20 DBED CC(C)c1nn(C)cc1C(=O)NCCCNCC(=O)NCC#N 1176019194 SAIKFKQQMAHCCY-UHFFFAOYSA-N 320.397 -0.107 30 20 DBED C#CCN1CCC(C(=O)NCCCN[C@@H]2CCCNC2=O)CC1 1176926442 MPQBQYCEVLCMDO-OAHLLOKOSA-N 320.437 -0.294 30 20 DBED C#CCCN1CCO[C@H]2CCN(C(=O)CC(=O)NCC#C)C[C@@H]21 1176983034 MMHBIHJJAFMYLR-GJZGRUSLSA-N 317.389 -0.549 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)CCc2ccon2)C1 1184247598 ATVPTSSFAGILHH-GXTWGEPZSA-N 318.377 -0.064 30 20 DBED C=CCC[C@H](C)N[C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 1184815032 IVCMSFMKNAHQOC-UONOGXRCSA-N 308.426 -0.037 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)CNC(C)=O)CC12CCOCC2 1186236535 MYKOTZIFTMHAKL-OAHLLOKOSA-N 321.421 -0.009 30 20 DBED CN(CC(=O)NCC#N)[C@H]1CCN(C(=O)c2cnsn2)C1 1189059970 WLEUETUOTCRUEK-VIFPVBQESA-N 308.367 -0.676 30 20 DBED CN(CC(=O)NCC#N)[C@@H]1CCN(C(=O)C2=COCCC2)C1 1189270678 UKWYRHZNLDRTGR-CYBMUJFWSA-N 306.366 -0.147 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 1189729089 UKIDJCLZFHTHKI-AWEZNQCLSA-N 313.361 -0.218 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)C[C@@H]2CCNC2=O)C1 1190622172 NWTGKZUBQSCLQY-QWHCGFSZSA-N 322.409 -0.653 30 20 DBED C=C(C)CN(C)[C@@H]1CCN(C(=O)CNS(=O)(=O)NC)C1 1191550779 HHICDLLCTAUTKA-LLVKDONJSA-N 304.416 -0.851 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)c2cc[nH]c2C)C1 1192078871 QWJBHUCVJUBKGP-MRVWCRGKSA-N 318.377 -0.764 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)C[C@H]2CCN(C)C2)C1 1193461590 HCZWLZMVOXPJNK-CABCVRRESA-N 320.437 -0.390 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)[C@H]2CCN(C)C2)C1 1194002312 QZEVKTRGDUYDSV-UONOGXRCSA-N 308.426 -0.227 30 20 DBED N#CCSCC(=O)N1CCCN([C@H]2CCC(=O)NC2=O)CC1 1194918876 DIBTYDYASPIVTR-NSHDSACASA-N 324.406 -0.417 30 20 DBED CC#CCCCC(=O)N[C@@H]1CN(Cc2nnn(C)n2)C[C@H]1O 1195466571 AQUQEQNLHGATGY-VXGBXAGGSA-N 306.370 -0.935 30 20 DBED C#CCCN1CCCN(C(=O)CNS(=O)(=O)CC)CC1 1196033926 WEFQTMSFEUFMRZ-UHFFFAOYSA-N 301.412 -0.517 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCCN(CCOCCO)CC1 1196191573 HQDGBMJSYBBNSK-INIZCTEOSA-N 323.437 -0.373 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)CC[C@H](C)CC)C1 1197139316 LGSIFZZOBTWVNV-MGPQQGTHSA-N 309.410 -0.277 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)CC(=O)NCC(F)(F)F)C1 1197333968 HPXJAKHIADIELM-NXEZZACHSA-N 323.315 -0.208 30 20 DBED CC#CCN1CCCN(C(=O)[C@H](CCC(N)=O)NC(C)=O)CC1 1197460383 DCLWSUFFXWVCES-AWEZNQCLSA-N 322.409 -0.686 30 20 DBED C[C@@H](C#N)C(=O)N1CCCO[C@H](CNCCN2CCCC2=O)C1 1200116677 ZXYNOJZLMYSYMC-UONOGXRCSA-N 322.409 -0.024 30 20 DBED C#CCOCCC(=O)N1CCCO[C@@H](CN[C@@H](C)C(N)=O)C1 1200478802 MAADALIDYSNYCO-STQMWFEESA-N 311.382 -0.893 30 20 DBED C=CCNC[C@H]1CN(C(=O)c2ccc(=O)n(C)n2)CCCO1 1201998761 MUJBKHXFBBPESI-LBPRGKRZSA-N 306.366 -0.213 30 20 DBED COCC#CCN[C@@H]1C[C@@H](NC(=O)CNC(N)=O)C12CCC2 1202431014 YJTAVROLVYTLKB-VXGBXAGGSA-N 308.382 -0.679 30 20 DBED N#CCN[C@H]1C[C@H](NC(=O)C(=O)NCC(F)F)C12CCC2 1203123039 OAHOIIKKLHXHDB-IUCAKERBSA-N 300.309 -0.092 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(Cc2cnsn2)C[C@H]1C 1206887263 DUQKIGUCUZBEEZ-ZYHUDNBSSA-N 321.406 -0.386 30 20 DBED C=CCNCC1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)CC1 1206932146 RLRIZWFSKSWMKH-LBPRGKRZSA-N 301.412 -0.308 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)CC1(O)CCC1 1206945190 QTUVLFMHVPADIG-VXGBXAGGSA-N 308.382 -0.632 30 20 DBED C=CCNC(=O)CNCC1CCN(C(=O)CCCC(N)=O)CC1 1206974225 UHCPFQKOQJMSLM-UHFFFAOYSA-N 324.425 -0.228 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC[C@@H](NCc2nc(O)n[nH]2)C1 1208025210 IZTGZXFTTSYLJD-GHMZBOCLSA-N 307.354 -0.371 30 20 DBED C[C@@H]1OCCO[C@@H]1C(=O)N1CCC[C@@H](NCC(=O)NCC#N)C1 1208356582 VINXUBACQZPGLV-SCRDCRAPSA-N 324.381 -0.989 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCN(C(=O)Cc2cscn2)C1 1209982146 MVNWVMMAXHITEU-LLVKDONJSA-N 321.406 -0.094 30 20 DBED CCCn1nnnc1CN1C[C@@H](NC(=O)[C@@H](C)C#N)[C@H](OC)C1 1212045481 OWHFBWWPRRESRA-QJPTWQEYSA-N 321.385 -0.442 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@@H](C)NC(=O)c2ccoc2)[C@H](OC)C1 1212318842 NLACYNIFCFEAGX-MRVWCRGKSA-N 319.361 -0.154 30 20 DBED COCC1(C(=O)N2C[C@@H](NCC(=O)NCC#N)[C@H](C)C2)CCC1 1215168925 KGXFTRSTHXPJFX-CHWSQXEVSA-N 322.409 -0.121 30 20 DBED C=C(C)CCN[C@@H]1CN(C(=O)c2cn(CC(N)=O)nn2)C[C@H]1C 1216844394 AIDGSPORUHZIKN-VXGBXAGGSA-N 320.397 -0.220 30 20 DBED Cc1nc(C)n(CCN2C[C@H](O)[C@H](NC(=O)C#CC3CC3)C2)n1 1219591553 JUBDBNOHZWNRHS-CABCVRRESA-N 317.393 -0.530 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)CC[C@]2(C)CCC(=O)N2)C1 1221204930 SEVIDHBOKYQMBZ-DVOMOZLQSA-N 307.394 -0.380 30 20 DBED C=CCNC(=O)CN1CCC(CNC(=O)c2cnnn2C)CC1 1223012369 INACKIDNQJOGOQ-UHFFFAOYSA-N 320.397 -0.441 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1223114212 KOTWUYLMYIEEHX-CHWSQXEVSA-N 322.365 -0.771 30 20 DBED C=CCN[C@@H]1CCCC[C@H]1NC(=O)CNS(=O)(=O)N(C)C 1228843156 QXBPHMUYJOOVPZ-VXGBXAGGSA-N 318.443 -0.415 30 20 DBED C#CCN[C@@H]1CCCC[C@H]1NC(=O)C[C@H](NC(C)=O)C(N)=O 1228968342 RNQNRYXREIWDTO-UPJWGTAASA-N 308.382 -0.983 30 20 DBED C#CCCN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCS(=O)(=O)N1 1230164705 SWTLVPWVAQDHCA-JHJVBQTASA-N 313.423 -0.282 30 20 DBED C#CCCCCNC(=O)C(=O)NCCS(=O)(=O)CC1CC1 1259790658 IGJSBPOQHOOCBS-UHFFFAOYSA-N 314.407 -0.153 30 20 DBED C=C(C)CCNC(=O)C(=O)Nc1ncn(CC(=O)OCC)n1 1261443873 FSONZMRYUUURKV-UHFFFAOYSA-N 309.326 -0.138 30 20 DBED C[C@H](NC(=O)C(=O)Nc1cccc(C#N)n1)[C@@H]1CN(C)CCO1 1261460311 ZBDRJTGRTFLVCC-JQWIXIFHSA-N 317.349 -0.273 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)NC[C@@H]1CC(=O)N(CC)C1 1261542711 SJPGGWDASUDMQN-ZDUSSCGKSA-N 303.362 -0.544 30 20 DBED C=C(C)[C@@H]1OCC[C@H]1Cn1nnnc1N(C)[C@@H]1CCNC1=O 1262426604 COCHUTVKSUHAND-TUAOUCFPSA-N 306.370 -0.021 30 20 DBED N#Cc1cn(CC(=O)Nn2cnc3ccccc32)c(=O)nc1O 1290549136 RIQSCPQUOQNNAC-UHFFFAOYSA-N 310.273 -0.059 30 20 DBED C#CCCN[C@H]1CCN(C(=O)Cn2nc3n(c2=O)CCCC3)C1 1317309201 OUTMULNHKUSDKD-ZDUSSCGKSA-N 317.393 -0.405 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)Nc1ccc(OCC(N)=O)cc1 1321242362 WHXFILDKDNLJIN-JTQLQIEISA-N 321.333 -0.194 30 20 DBED CN1CCN(CCCCNC(=O)N2CCO[C@@H](C#N)C2)CC1 1321981856 UAFQCFHUHWGABH-AWEZNQCLSA-N 309.414 -0.052 30 20 DBED C=C[C@H](C)NC(=O)C(=O)Nc1cccc(C(=O)NCC(N)=O)c1 1322495980 VNZSCTFYMGPXCS-VIFPVBQESA-N 318.333 -0.469 30 20 DBED C[S@@](=O)CCNC(=O)C(=O)NCc1cccc(OCC#N)c1 1322742389 FOKWVJVXXFUJIV-JOCHJYFZSA-N 323.374 -0.300 30 20 DBED CCC[C@]1(CO)CCN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)C1 1326547333 OGYHLLIBSBPZNL-JKSUJKDBSA-N 323.393 -0.125 30 20 DBED C=CCn1cc(C(=O)N2CC(n3cc([C@H](C)O)nn3)C2)nn1 1326654531 RIZMLKCWKYGPQY-VIFPVBQESA-N 303.326 -0.194 30 20 DBED C#CCNC(=O)C1CCN(C(=O)[C@H]2CCCS2(=O)=O)CC1 1326767731 FHHWJERIKFUOGN-GFCCVEGCSA-N 312.391 -0.448 30 20 DBED Cc1nnc([C@@H](C)NC(=O)C(=O)N2CCO[C@H](C#N)C2)s1 1327259286 QEZUOMIRPXTULH-VXNVDRBHSA-N 309.351 -0.225 30 20 DBED C#CC1CCN(C(=O)C(=O)N[C@H]2CCC[C@@H]2C(=O)NC)CC1 1329354133 ZVUMGBSNCGWJFN-STQMWFEESA-N 305.378 -0.111 30 20 DBED C#C[C@H](NC(=O)C1(CS(C)(=O)=O)COC1)[C@H]1CCCO1 1346762807 CCWYPHCHKHNWHF-WDEREUQCSA-N 301.364 -0.655 30 20 DBED C=CCOCCNC(=O)C(=O)N1CCC[C@@H](N2CCCC2=O)C1 1347347507 ZUQJHVLJDYITNB-CYBMUJFWSA-N 323.393 -0.081 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)C(=O)N2CC[C@@]3(CCOC3)C2)C1 1349345521 YNEXHACBAYOCAU-HUUCEWRRSA-N 307.350 -0.498 30 20 DBED C#CCN(CC#CC)c1nnc(Cc2nn[nH]n2)n1CCOC 1358414016 FBCIIPOMFPNRIE-UHFFFAOYSA-N 314.353 -0.509 30 20 DBED C[C@H](CNCc1nnn(C)n1)CNC(=O)c1cc(C#N)c[nH]1 1378551868 CFAHKTCERBFAHD-SECBINFHSA-N 302.342 -0.434 30 20 DBED CO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1NC(=O)CCc1nc[nH]n1 1384790249 JNYAAAVNUWEROM-GMTAPVOTSA-N 320.353 -0.761 30 20 DBED COC(=O)NCC(=O)N[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 1385139656 MWCGJUUPKPXNQW-SNVBAGLBSA-N 319.321 -0.427 30 20 DBED COC(=O)C1(C#N)CCN(C(=O)Cc2nnc(N)s2)CC1 1417835082 CIUIQEOKBLKOMQ-UHFFFAOYSA-N 309.351 -0.032 30 20 DBED COC(=O)c1cccn(CC(=O)Nc2n[nH]cc2C#N)c1=O 1418146144 XGZNQQNAONACJL-UHFFFAOYSA-N 301.262 -0.132 30 20 DBED N#Cc1ccc(CN2CC[C@H]2CNC(=O)Cn2ncnn2)s1 1420841012 ZWWMESDSSOIYOK-JTQLQIEISA-N 317.378 -0.003 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1c[nH]nc1C1CC1 1431571971 OXCUJEVEZQHPQW-WPRPVWTQSA-N 305.338 -0.346 30 20 DBED CC(=O)O[C@H]1CCCN(C(=O)Cn2cc(C#N)c(O)nc2=O)C1 1434430246 NTAZKCJQLDLSFJ-NSHDSACASA-N 320.305 -0.625 30 20 DBED C=C(Br)CNC[C@H](C)NC(=O)Cn1cnnn1 1439188498 ORXBFHLKMAQEEK-QMMMGPOBSA-N 303.164 -0.324 30 20 DBED N#Cc1cn(CCNC(=O)NCCn2ccnc2)c(=O)nc1O 1477621024 XANZMUNAGDRGTJ-UHFFFAOYSA-N 317.309 -0.984 30 20 DBED C[C@H](CNC(=O)c1cc(C#N)c[nH]1)N(C)C(=O)[C@@H]1CCC(=O)N1 1486834668 IRVQDLZJWSPLGH-KOLCDFICSA-N 317.349 -0.258 30 20 DBED C#CCNC(=O)CNC[C@H]1CCCN1C(=O)c1cnccn1 1499870542 WIEDIZMKUGJYEI-GFCCVEGCSA-N 301.350 -0.580 30 20 DBED CN1CCC[C@@H]1C(=O)N1CCC[C@@H]1CNCC(=O)NCC#N 1499882219 IKTBCXMKGVEXER-CHWSQXEVSA-N 307.398 -0.699 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)c2cncs2)C1 1506795938 ZRMYYNIIRRDXLT-NOZJJQNGSA-N 308.363 -0.004 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@@H](CNC(=O)[C@H]2CC(=O)N(C)C2)C1 1514856754 CVGWOPQXJXWCRO-WYUUTHIRSA-N 306.366 -0.365 30 20 DBED C#CCCN1CCC(NC(=O)[C@@H]2CN3CCN2C[C@H]3C)CC1 1527802417 ACZSUPBUTLTERH-ZBFHGGJFSA-N 304.438 -0.021 30 20 DBED C[C@H](CNC(=O)c1cc(C(N)=O)ccn1)CNC(=O)[C@@H](C)C#N 1532298744 OXMUQLRXWPXYFV-UWVGGRQHSA-N 317.349 -0.178 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2CCN(C[C@H](O)COC)C2)c1 1567896629 LXARURAJNXYBTM-CABCVRRESA-N 303.362 -0.126 30 20 DBED N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)[C@@H](N)CO)CC1 1574241396 LRQUROGBRKBTSR-KBPBESRZSA-N 306.341 -0.146 30 20 DBED C=CCCC[C@H](N)C(=O)N1CCOC[C@H]1CNS(C)(=O)=O 1574903981 YWLWZOCDVJOAIE-NEPJUHHUSA-N 319.427 -0.553 30 20 DBED C=CCN1CC[C@@H](N(C)S(=O)(=O)[C@@H]2CCCNC2)C1=O 1574937431 WXFOMITWFQRMLE-VXGBXAGGSA-N 301.412 -0.213 30 20 DBED CC(C)C#CC(=O)N(C)CCNC(=O)[C@H](C)OCc1cnn[nH]1 1575319144 YZIJZHNVXXWQTH-LBPRGKRZSA-N 321.381 -0.056 30 20 DBED COC(=O)N[C@H]1CCN(c2cnc(C#N)c(-c3nn[nH]n3)n2)C1 1579466457 VJPFGWADPHTRGD-ZETCQYMHSA-N 315.297 -0.537 30 20 DBED N#C[C@]12CN(C(=O)[C@H]3NCC34CCCC4)C[C@H]1CS(=O)(=O)C2 1580056891 HDFJFXZDLVDAHA-YWPYICTPSA-N 323.418 -0.085 30 20 DBED Cc1c(-c2nn[nH]n2)c(=O)n(C[C@H](O)CC#N)c(=O)n1C1CC1 1580522477 QQYFBQCTUHGIEV-SECBINFHSA-N 317.309 -0.892 30 20 DBED C#CC[C@@H](CO)NS(=O)(=O)c1ccc(-c2nn[nH]n2)c(C)c1 1588330946 HRJRLSCCNQNTKU-JTQLQIEISA-N 321.362 -0.162 30 20 DBED C#CCN(CC(=O)O)C(=O)c1cc(S(C)(=O)=O)ccc1N 1588415956 DRMUJXYWVWJCJK-UHFFFAOYSA-N 310.331 -0.168 30 20 DBED C[C@@H](C#N)C(=O)NCCCNc1cncc(-c2nn[nH]n2)n1 1588929042 FSTDVCATSDQZEL-QMMMGPOBSA-N 301.314 -0.265 30 20 DBED C[C@@H]1C[C@@H](C(=O)O)CN(S(=O)(=O)N2CCO[C@H](C#N)C2)C1 1589282389 QDMWLYVCXUGNPW-GMTAPVOTSA-N 317.367 -0.502 30 20 DBED N#CCN[C@H]1CCCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1592678647 HIASUMMWHBDVGM-VIFPVBQESA-N 300.326 -0.087 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N(CC(=O)O)C2CCCC2)CCO1 1601062198 BKFGKJUEWHXSQW-LLVKDONJSA-N 317.367 -0.215 30 20 DBED N#CCNC(=O)CNC(=O)Nc1cccc(OCC(=O)O)c1 1601074894 VMQOPQFUDTVYHD-UHFFFAOYSA-N 306.278 -0.089 30 20 DBED CC(C)[C@@H](C#N)N1CCN(C(=O)c2cn(CC(=O)O)nn2)CC1 1602960926 MTWPDPHBNCGGES-GFCCVEGCSA-N 320.353 -0.331 30 20 DBED Cn1c(N2CC[C@](C)(C#N)C2)c(-c2nn[nH]n2)c(=O)n(C)c1=O 1606217845 VJNANTHKBQJFHY-CYBMUJFWSA-N 316.325 -0.996 30 20 DBED COC(=O)[C@H]1CC[C@H](C(=O)O)N(S(=O)(=O)CCCC#N)C1 1606395352 WWCHWEOAHNFCAO-VHSXEESVSA-N 318.351 -0.042 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H]2CC(=O)O)C1=O 1609373486 CJQGIJPAVUYWJW-VIFPVBQESA-N 323.305 -0.571 30 20 DBED N#Cc1cn(CCNC(=O)c2ccc3cccnn23)c(=O)nc1O 1633550043 JBDPWKHPBSADOA-UHFFFAOYSA-N 324.300 -0.102 30 20 DBED C=C(C)CNC[C@H]1CCCN1C(=O)Cn1ccc(=O)n(C)c1=O 1733341109 ZZGRGSNCJXBZPR-CYBMUJFWSA-N 320.393 -0.296 30 20 DBED C=CCNC(=O)CN[C@@H](CNC(=O)c1cnsn1)C1CC1 1752452790 UWTNEBNBBPQQGV-JTQLQIEISA-N 309.395 -0.062 30 20 DBED C=CCNC(=O)CN[C@H](CNC(=O)[C@@H]1CCN(C)C1=O)C1CC1 1752480416 MLYSXYKILCQBLQ-QWHCGFSZSA-N 322.409 -0.749 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@@]23CCOC3)C1 1752771800 CEJAZYOCUBZWPC-RSUWNVLCSA-N 305.378 -0.601 30 20 DBED C[C@H](CNCC(=O)NCC#N)N(C)C(=O)c1csc(O)n1 1753709095 RSXBYOFYPWYJJT-MRVPVSSYSA-N 311.367 -0.461 30 20 DBED C=CCNC(=O)CNCC[C@@H](C)NC(=O)c1cc(=O)n(C)cn1 1753972605 YJOFDWHEPIDGNT-LLVKDONJSA-N 321.381 -0.820 30 20 DBED C#CCN(C(=O)CS(=O)(=O)NC)C1CCN(CC=C)CC1 1754643264 QTXNSXZIJCRTNG-UHFFFAOYSA-N 313.423 -0.352 30 20 DBED C#CCN1CC[C@](O)(CNC(=O)c2ncn(C(C)(C)C)n2)C1 1754757233 GTECHWUMZQDHOV-HNNXBMFYSA-N 305.382 -0.167 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)CCS(C)(=O)=O)CCO1 1755005854 VABQZFQWZMXYRF-GFCCVEGCSA-N 302.396 -0.739 30 20 DBED CC1(C(=O)N2CCO[C@@H](CNCC(=O)NCC#N)C2)CC=CC1 1755008881 UQVKTTCXSNPBQX-ZDUSSCGKSA-N 320.393 -0.201 30 20 DBED CC1(CC(=O)NC2(CO)CCN(CC(=O)NCC#N)CC2)CC1 1755179001 ZSZVWGBFUGVXGN-UHFFFAOYSA-N 322.409 -0.241 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)[C@@H](C)NC(=O)CC)C2)C1 1755402506 UWMJEEQJUVLOQI-CJNGLKHVSA-N 307.394 -0.162 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(CNC(=O)[C@@H]3[C@H]4COC[C@H]43)[C@@H]2C1 1755427542 HBFXSDRHNYMDHU-GRYWWWGRSA-N 319.405 -0.525 30 20 DBED Cn1ncc(C(=O)N2CCC3(CC2)CO[C@@H](CNCC#N)C3)n1 1755463316 KSPOAZDWFSXUIB-GFCCVEGCSA-N 318.381 -0.060 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C[C@@H](O)CNCc1cc(C)n(C)n1 1755779636 NLNHFWNATLTRJR-ZFWWWQNUSA-N 322.409 -0.324 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H](CO)NC(=O)c1ncccc1C 1756521932 ZNCQPAODNAZKSX-STQMWFEESA-N 319.361 -0.365 30 20 DBED C[C@@H]1CN(C(=O)[C@@H]2CCN(C)C2=O)C[C@H]1NC(=O)C#CC1CC1 1757068377 RHPRSUPVGXWUEZ-MRVWCRGKSA-N 317.389 -0.159 30 20 DBED C=CCC(=O)N1CCO[C@]2(CCN(C(=O)CNC(N)=O)C2)C1 1785631766 AEAGABQBQHFYPU-AWEZNQCLSA-N 310.354 -0.939 30 20 DBED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)CN(C)C)C1 1842678233 YIKGGKNWIRQEHR-CYBMUJFWSA-N 307.394 -0.210 30 20 DBED C[C@@H](NC=O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C#CC1CC1 1847747915 VNBDLYWIJOIGJE-XBFCOCLRSA-N 303.362 -0.264 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(CC2CCOCC2)c1=O 114097056 WCFPJXCGBIBQSB-UHFFFAOYSA-N 307.350 -0.030 30 20 DBED C=CCNC(=O)CNc1cc(NCC(=O)NCC=C)ncn1 129181568 UPBNUFDFHUBDIP-UHFFFAOYSA-N 304.354 -0.095 30 20 DBED C#C[C@H](OC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)C1CC1 152818542 BJPDALFXPVBCMO-JTQLQIEISA-N 316.317 -0.611 30 20 DBED C#CCN1CCN(C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)CC1 176662932 GQKMFLHXWRQNQS-GFCCVEGCSA-N 301.350 -0.460 30 20 DBED COCCNC(=O)CN1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 181162802 VFPLIPNUVCKQMA-UHFFFAOYSA-N 319.365 -0.593 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C)CC(=O)OC)C1=O 264984740 LIPDYLFUYRYLLE-QMMMGPOBSA-N 311.294 -0.969 30 20 DBED COC(=O)[C@@H](c1cccc(C#N)c1)N1CCO[C@@H](C(N)=O)C1 267660680 ZMYRVIJTFHPLTB-CHWSQXEVSA-N 303.318 -0.042 30 20 DBED C[C@H](CNS(=O)(=O)c1cccnc1C#N)N1CCOCC1 277061109 RFTNTOJLPWYJFJ-LLVKDONJSA-N 310.379 -0.048 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@H](CC)C(=O)OC)CC1 277305941 SMXYRAFGMUOFEE-ZDUSSCGKSA-N 323.393 -0.531 30 20 DBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC[C@H]1CC(C(N)=O)=NO1 298194104 FDPROMKKLKCQJS-UMNHJUIQSA-N 310.354 -0.103 30 20 DBED CCOC(=O)CN(CC(N)=O)C(=O)COc1ccccc1C#N 299384341 XHUQARSNTROECL-UHFFFAOYSA-N 319.317 -0.186 30 20 DBED C#CCN1CCN(C(=O)CN(C)C[C@H](O)C(F)(F)F)CC1 305779000 RFSURZUSCDRGMI-NSHDSACASA-N 307.316 -0.381 30 20 DBED CN1C[C@H](/N=C(/O)N2CCC(N3CCN=C3O)CC2)CC1=O 330112513 CAUSQJDQIVQWCG-SNVBAGLBSA-N 309.370 -0.175 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N(C)CCN1CCOCC1 330405837 WJUPNIOBXJKJKT-ZDUSSCGKSA-N 318.443 -0.023 30 20 DBED CC(C)(C)C[C@H](O)CNS(=O)(=O)N1CCO[C@H](C#N)C1 337099653 UPHFNNLCAVBBMU-WDEREUQCSA-N 305.400 -0.158 30 20 DBED COC(=O)CN(CC#N)C(=O)CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O 340560785 ZSPZYULZVSEDSV-GHMZBOCLSA-N 319.317 -0.537 30 20 DBED C=CCN(CCOC)C(=O)C(=O)NCC(C)(C)C(=O)NCC 344196447 KILKHZAHFSAPNS-UHFFFAOYSA-N 313.398 -0.074 30 20 DBED C=CC[C@H](CO)CNC(=O)NCCn1cc(C(=O)OC)nn1 356015930 XCQKVBKHWFGCJD-JTQLQIEISA-N 311.342 -0.452 30 20 DBED N#Cc1ccc(C(=O)CNC(=O)[C@@H]2CC[C@@H](C(N)=O)O2)cc1 356184313 IKQXRDHCRVMFJN-STQMWFEESA-N 301.302 -0.110 30 20 DBED COc1ccc(F)cc1NC(=O)C(=O)NCC(=O)NCC#N 357296759 WLVYJYFIGVUXLC-UHFFFAOYSA-N 308.269 -0.471 30 20 DBED C#CCCCS(=O)(=O)N1CCC[C@@H](S(=O)(=O)NC)C1 367864775 LQMWQMPZYVGFJP-LLVKDONJSA-N 308.425 -0.257 30 20 DBED C#CCCS(=O)(=O)N1CCCN(CC(=O)NCC)CC1 375521132 HJTXLCZWKNANMV-UHFFFAOYSA-N 301.412 -0.517 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N1CCSC[C@H]1C(N)=O 407951811 DGULIVDDLSSMON-BDAKNGLRSA-N 306.413 -0.775 30 20 DBED Cc1cc(NC(=O)C(=O)N2CCCN(C)CC2)nn1CCC#N 429799292 NIOOCVLHSRDBJN-UHFFFAOYSA-N 318.381 0.208 30 20 DBED N#Cc1ccc(S(=O)(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)s1 435421968 JXOCVSWMYDMXHY-IONNQARKSA-N 315.376 -0.069 30 20 DBED N#Cc1ccc(S(=O)(=O)NC[C@@H]2CN3CCN2CC3)cc1F 489693989 GOHYMNDULOKANI-GFCCVEGCSA-N 324.381 -0.025 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@H](OC)C(=O)OC 490533373 DQTIYNADLJSPHA-ZJUUUORDSA-N 307.372 -0.510 30 20 DBED C#C[C@@H](NC(=O)CN1CCN(S(C)(=O)=O)CC1)C(C)C 490985999 PHMXJTNMEWNJDQ-GFCCVEGCSA-N 301.412 -0.662 30 20 DBED C#CCNC(=O)C1CCN(C(=O)NC[C@@]2(OC)CCOC2)CC1 491154244 HNVAYVCLNDLLRV-INIZCTEOSA-N 323.393 -0.037 30 20 DBED C#C[C@H](C)N(C)C(=O)CCNS(=O)(=O)c1cn(C)c(C)n1 491748750 YNMHVDHPKVDROI-JTQLQIEISA-N 312.395 -0.123 30 20 DBED CCOC[C@@H]1CN(c2c(C#N)c(=O)n(C)c(=O)n2C)CCO1 528188638 YMQPKWOBBBRDQT-JTQLQIEISA-N 308.338 -0.803 30 20 DBED CCN(C)C(=O)CNCCS(=O)(=O)c1ccc(C#N)cn1 568993233 FPMVQGVQDRRELT-UHFFFAOYSA-N 310.379 -0.205 30 20 DBED C=CCN(CC=C)[C@@H](CNC(=O)C(=O)NC1CNC1)C(C)C 570030506 SXQGRIBDIHUMEG-AWEZNQCLSA-N 308.426 -0.111 30 20 DBED COc1ccccc1[C@@H](CO)NC(=O)NCC(=O)NCC#N 580669615 MXLMWUYHQSSMBO-LLVKDONJSA-N 306.322 -0.332 30 20 DBED COCCN(CC#N)C(=O)[C@@H](C)n1cnc2c(N)ncnc21 597754339 BKLGZBKEQPJLQR-SECBINFHSA-N 303.326 -0.032 30 20 DBED COC(=O)C[C@H](O)CNC(=O)C(=O)Nc1cccc(C)c1C#N 600059099 NIKTYSIMQIMEJN-JTQLQIEISA-N 319.317 -0.155 30 20 DBED N#Cc1cc(F)cc(NC(=O)C(=O)N2CCN(CCO)CC2)c1 602031200 XPHWVGNBYAXNQF-UHFFFAOYSA-N 320.324 -0.228 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC[C@@H](C)C(=O)O)C1=O 656001119 YQPFYOQRQBMPHG-NXEZZACHSA-N 311.338 -0.931 30 20 DBED C=CCC[C@@H]1NC(=O)N([C@H]2CS(=O)(=O)C[C@@H]2OC)C1=O 656834437 XVYQOAHEDQISPB-GUBZILKMSA-N 302.352 -0.315 30 20 DBED C#CCNC(=O)[C@@H](C)OC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 751653644 WKSMLLSIOSPPJH-NXEZZACHSA-N 304.306 -0.556 30 20 DBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCOC1 752372783 CJFMBCLQFATVEJ-SECBINFHSA-N 309.347 -0.370 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(C/C=C\C(=O)OCC)c1=O 755626408 LNPCWIOOADKOKR-FPLPWBNLSA-N 321.333 -0.337 30 20 DBED COCCNC(=O)[C@@H](C#N)C(=O)CNC(=O)c1ccccc1 768763550 OUVUOPZVNYHXEG-LBPRGKRZSA-N 303.318 -0.112 30 20 DBED C=CCS(=O)(=O)NC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O 772713368 OTMXWJCVLJZUNJ-NXEZZACHSA-N 314.363 -0.206 30 20 DBED C#C[C@H](NC(=O)N1CCN(CC(=O)N(C)C)CC1)[C@H]1CCCO1 776228037 NWPQGGASZCUDKG-UONOGXRCSA-N 322.409 -0.417 30 20 DBED C#CCOCCNC(=O)c1ccc(OCC(N)=O)c(OC)c1 784767800 GPPNEULLPDGJJL-UHFFFAOYSA-N 306.318 -0.061 30 20 DBED C#C[C@@H](NC(=O)C(=O)NCCCc1cnn(C)c1)[C@@H]1CCCO1 804377293 YNGSHXSQKIRBQK-KGLIPLIRSA-N 318.377 -0.234 30 20 DBED O=C(N[C@@H]1CCCN(O)C1=O)[C@H]1CC[C@H](C(F)(F)F)NC1=O 820471289 RMTNBLRSAAHKCC-BWZBUEFSSA-N 323.271 -0.060 30 20 DBED COC(=O)c1cnn(CC(=O)[C@@H](C#N)C(=O)c2nccn2C)c1 860613108 SYZIPULWJODEFR-SNVBAGLBSA-N 315.289 -0.005 30 20 DBED CN1C(=O)[C@@H]2CN(S(=O)(=O)CC3(CC#N)CC3)C[C@@H]2C1=O 867765692 TYKJHVCMPSXNKR-AOOOYVTPSA-N 311.363 -0.443 30 20 DBED C#CCNC(=O)CN1CCN(c2cc(C(=O)OC)ncn2)CC1 881916559 NWBLCJHYXKYOCL-UHFFFAOYSA-N 317.349 -0.865 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCN(C(=O)[C@@H]3CCCO3)C2)nn1 940504947 MGCWSUNXFQPHLT-YPMHNXCESA-N 319.365 -0.026 30 20 DBED NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]1CCCN1C(=O)C#CC1CC1 944008097 CHSSBVUPYGMJES-UPJWGTAASA-N 303.362 -0.372 30 20 DBED Cc1ncc(C(=O)NC[C@H]2CN(C(=O)[C@H](C)C#N)CCO2)[nH]1 944511293 VJSBJWZNDUBDLV-KOLCDFICSA-N 305.338 -0.165 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CN2CC(=O)NC2=O)C[C@@H]1C 947821627 XMUHHUGETKGXJT-NWDGAFQWSA-N 306.366 -0.469 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CNC(=O)[C@H]2CCN(C)C2=O)CC1 949393640 CZNMSIVORMKZCX-DGCLKSJQSA-N 320.393 -0.021 30 20 DBED O=C(N[C@H]1CCCN(C(=O)C#CC2CC2)C1)C1CS(=O)(=O)C1 950760906 ATQNBVYTXSEBBT-ZDUSSCGKSA-N 324.402 -0.448 30 20 DBED COc1nc(C)ncc1C(=O)NC[C@@H]1CN(CC#N)C[C@@H]1O 958122507 WRCGTMICVJCTDP-PWSUYJOCSA-N 305.338 -0.660 30 20 DBED C#CCN1C[C@H](CNC(=O)c2cn(C(C)(C)C)nn2)[C@@H](O)C1 958125857 CPZWUNFINATKOX-AAEUAGOBSA-N 305.382 -0.311 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2cc(CN(C)C)on2)C1 958199439 IQPTWZMVNXPIBM-RISCZKNCSA-N 306.366 -0.608 30 20 DBED CN(C)Cc1cc(C(=O)NC[C@H]2CN(CC#N)C[C@H]2O)no1 958199474 IZKYGGNPSGEJHB-GXFFZTMASA-N 307.354 -0.718 30 20 DBED C#CCN1C[C@H](CNC(=O)c2cc(OC)nc(OC)c2)[C@@H](O)C1 958219631 LHQDDIANYWRJMN-STQMWFEESA-N 319.361 -0.246 30 20 DBED C#CCCN1C[C@H](CNC(=O)c2cnc(OC)nc2)[C@@H](O)C1 958561763 AZEVVSGHZMLERY-STQMWFEESA-N 304.350 -0.469 30 20 DBED CC#CCN1C[C@H](CNC(=O)c2conc2COC)[C@@H](O)C1 958585089 WGUMXYKFNACORR-FZMZJTMJSA-N 307.350 -0.133 30 20 DBED C=CCCn1cc(C(=O)N(C)[C@H]2CN(C(C)=O)C[C@@H]2O)nn1 958856130 LSMDGQLGKAQWEJ-STQMWFEESA-N 307.354 -0.482 30 20 DBED N#Cc1cc(C(=O)N2C[C@@H]3CCCN(C(=O)C(N)=O)[C@@H]3C2)c[nH]1 963827158 BFTVPHZFPAYJLN-JOYOIKCWSA-N 315.333 -0.565 30 20 DBED Cc1cc(C(=O)NC[C@H]2COCCN2C(=O)[C@@H](C)C#N)nn1C 964114110 NPWQPHSQYDPCSL-JQWIXIFHSA-N 319.365 -0.155 30 20 DBED O=C(N[C@H]1COC2(C1)CN(C(=O)C#CC1CC1)C2)c1ncc[nH]1 965686246 FAOLBYKSPVWOQZ-GFCCVEGCSA-N 314.345 -0.077 30 20 DBED CC#CCN1CC([C@@H](C)NC(=O)[C@H]2COCCN2C(C)=O)C1 970900788 FXXNLBQGKXMJCY-IUODEOHRSA-N 307.394 -0.307 30 20 DBED C=CCN1CCO[C@@]2(CCN(C(=O)c3cn(C)c(=O)n3C)C2)C1 972696834 ZTVQILUFBYFGBA-INIZCTEOSA-N 320.393 -0.173 30 20 DBED C#CCN1C[C@@H](NC(=O)c2cnc(O)n(C)c2=O)C(C)(C)C1 974919979 HTWKTFXZFWRDQP-LLVKDONJSA-N 304.350 -0.441 30 20 DBED C=CCN1C[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C(C)(C)C1 975108697 CMEHUSSCVQGDRY-LBPRGKRZSA-N 320.393 -0.290 30 20 DBED N#CCN1C[C@H]2[C@H](CNC(=O)[C@@H]3CCc4nnc(O)n4C3)[C@H]2C1 978410434 POVHGCHEJYXAPS-KKOKHZNYSA-N 316.365 -0.636 30 20 DBED CO[C@@H](C)C(=O)N1CCN(C(=O)N2CCN(CC#N)CC2)CC1 985823814 YXWLYLXLONOZCT-ZDUSSCGKSA-N 323.397 -0.573 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CN(C)C(=O)[C@@H]2CCNC2=O)CC1 988631730 WMEGIJJPULTZHU-WCQYABFASA-N 320.393 -0.021 30 20 DBED C#CCN[C@@H]1C[C@@H](C)N(C(=O)Cn2nc3n(c2=O)CCCC3)C1 989650022 KDLMWXPPNRGANP-CHWSQXEVSA-N 317.393 -0.407 30 20 DBED Cn1cnn(CC(=O)N[C@@]23CCC[C@H]2N(CC#N)CC3)c1=O 991477934 ZDDYTEXYIBVPCM-BXUZGUMPSA-N 304.354 -0.781 30 20 DBED C[C@@H](C#N)C(=O)N1CC(OC2CCN(C(=O)CC(N)=O)CC2)C1 994797078 KGHBTLLWMKAWBD-JTQLQIEISA-N 322.365 -0.760 30 20 DBED C[C@H]1C[C@@H](NC(=O)Cc2nc[nH]n2)CN1C(=O)C#CC1CC1 1012587056 IHBPKHPXLKORDH-CMPLNLGQSA-N 301.350 -0.134 30 20 DBED C[C@H](C#N)C(=O)N1CCC2(CN(C(=O)Cn3cnnc3O)C2)C1 1018957477 PMXBFXYVHWMBLE-SNVBAGLBSA-N 318.337 -0.796 30 20 DBED N#CCN[C@H]1CCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1 1019378080 HLYWNCLIHFMHDR-MJBXVCDLSA-N 320.393 -0.130 30 20 DBED C#CCCN1CCCC[C@@H]1CNC(=O)[C@H]1CCS(=O)(=O)N1 1024805914 FMIGDZMIDRYPGT-CHWSQXEVSA-N 313.423 -0.328 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@H](CN[C@H]3CCNC3=O)C2)[nH]1 1026788721 MFRDRTJVNUKDSE-PWSUYJOCSA-N 301.350 -0.173 30 20 DBED N#CCN1CCC[C@@H]1CNC(=O)c1ccc(-n2cnnn2)cn1 1028046986 NDSQCWIRDJKCCX-LLVKDONJSA-N 312.337 -0.225 30 20 DBED C=CCn1cc(C(=O)N2C[C@@H]3CC[C@H](C2)N3CC(=O)NC)nn1 1029506111 BFNWFNOMDJDRRT-TXEJJXNPSA-N 318.381 -0.501 30 20 DBED CS(=O)(=O)CCN1CC(CNC(=O)c2c[nH]c(C#N)c2)C1 1031622553 WNPKATAJBBBHAY-UHFFFAOYSA-N 310.379 -0.407 30 20 DBED C=CCn1cc(C(=O)N(C)[C@@H]2CCN([C@@H](C)C(=O)NC)C2)nn1 1033483242 GLIUOLLRTVWLOC-NWDGAFQWSA-N 320.397 -0.255 30 20 DBED Cn1ncc2c1C[C@H](C(=O)NC[C@@H]1CN(CC#N)CCO1)CC2 1035492253 WBOFWQAUGVPZMT-TZMCWYRMSA-N 317.393 -0.134 30 20 DBED CC#CCN1CC2(CCN(C(=O)[C@H]3CN(C)C(=O)N3)CC2)C1 1035768521 KHKOSVLMOAEQBM-CYBMUJFWSA-N 304.394 -0.042 30 20 DBED Cc1nn(CC(=O)N2CC[C@H](NCC#N)[C@H](C)C2)c(=O)n1C 1036275726 KIQHTEHOXVXDBG-PWSUYJOCSA-N 306.370 -0.760 30 20 DBED C=CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1ccc(S(N)(=O)=O)o1 1037489136 KFCDSAXTMPSZSV-VDDIYKPWSA-N 311.363 -0.085 30 20 DBED C[C@@]1(C(=O)N2CC[C@@](O)(CNC(=O)C#CC3CC3)C2)CCOC1 1039681114 ULQVGCQZUKPVSC-IAGOWNOFSA-N 320.389 -0.094 30 20 DBED C[C@@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)Cc2cncs2)C1 1040760585 OTESHRVZHUEECG-IINYFYTJSA-N 322.390 -0.075 30 20 DBED Cn1cnc(C(=O)N[C@@H]2CN(c3ccc(C#N)cn3)C[C@H]2O)c1 1040988146 VMVFPDLRSIWSQA-DGCLKSJQSA-N 312.333 -0.334 30 20 DBED Cc1nc(C(=O)N[C@@H]2CN(c3ccc(C#N)nn3)C[C@H]2O)co1 1040990424 PFUIKHROOYNDPO-ZYHUDNBSSA-N 314.305 -0.376 30 20 DBED Cc1c[nH]c(C(=O)N[C@@H]2CN(c3cnc(C#N)cn3)C[C@H]2O)n1 1041378634 UQXSKXQXTQPLHR-GHMZBOCLSA-N 313.321 -0.641 30 20 DBED Cc1ccc(C#N)c(NC[C@@H]2CN(C(=O)C(N)=O)CCCO2)n1 1041523762 IKGMGEJGEXXMPI-GFCCVEGCSA-N 317.349 -0.224 30 20 DBED C=C1CC(C)(C(=O)N2CC(O)(CNC(=O)[C@@H]3COCCO3)C2)C1 1041605237 ZHWPSQDWYGLKDZ-LBPRGKRZSA-N 324.377 -0.552 30 20 DBED N#Cc1nc(=N[C@@H]2C[C@@H](NC(=O)C(N)=O)C23CCC3)cc[nH]1 1041610533 ITRBCMDCEKFHQR-RKDXNWHRSA-N 300.322 -0.905 30 20 DBED C[C@H]1C[C@H]1C(=O)N1CC(O)(CNC(=O)c2ccc(C#N)[nH]2)C1 1042605738 OYWIYBVYCIZALZ-GXSJLCMTSA-N 302.334 -0.155 30 20 DBED C=C(C)CCC(=O)N1CC(O)(CNC(=O)[C@H]2CCC(=O)NC2)C1 1043798532 RGUGXGOHOSAOSH-LBPRGKRZSA-N 323.393 -0.442 30 20 DBED N#Cc1cncc(N2C[C@H](O)[C@H](NC(=O)Cc3ccco3)C2)n1 1044129918 PXYZCPHHXSNPHH-OLZOCXBDSA-N 313.317 -0.150 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)[C@@H](F)C(F)(F)F)C1 1045559427 KJGZQEQGQGICDR-NKWVEPMBSA-N 311.235 -0.264 30 20 DBED C#CCCN1CC[C@H](N2CCN(C(=O)c3nnn(C)n3)CC2)C1 1046055753 QGHMTONTMVIDRS-ZDUSSCGKSA-N 317.397 -0.935 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)c2ccc(=O)n(C)n2)C1 1046856391 DDEWUJHMKDMMCU-UHFFFAOYSA-N 320.349 -0.950 30 20 DBED C[C@H]1CCCN(C(=O)C(=O)N(C)[C@H]2CN(CC#N)C[C@@H]2O)C1 1047555265 UXKJKHAIAAMUFC-AVGNSLFASA-N 308.382 -0.728 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCN(C)C2)C1 1048873455 GGWUSLGCPQOPEO-KKUMJFAQSA-N 321.421 -0.228 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC(=O)N2C)C1 1049229332 HEFIERLLBAPMDE-AVGNSLFASA-N 323.393 -0.397 30 20 DBED C=CCN1CC[C@H](N2CC[C@H]3[C@@H]2CCCN3C(=O)C(N)=O)C1=O 1049683039 LAPROVYLINKMCK-AVGNSLFASA-N 320.393 -0.676 30 20 DBED N#Cc1ccc(N2CC[C@@H](NC(=O)c3cc[nH]n3)[C@H](O)C2)nn1 1051611151 DQRGCUADPSQIBL-ZYHUDNBSSA-N 313.321 -0.559 30 20 DBED C#CCN1CCN([C@@H]2CCN(C(=O)c3cnnn3C)C2)CC1 1052023294 RQUTWMRIGMWYMV-CYBMUJFWSA-N 302.382 -0.720 30 20 DBED C#CCN1CCN([C@H]2CCN(C(=O)[C@H]3CCCC(=O)N3)C2)CC1 1052041072 RDBYWKABZCUMJL-LSDHHAIUSA-N 318.421 -0.493 30 20 DBED CCOc1cc(C(=O)N2CCOC3(CN(CC#N)C3)C2)[nH]n1 1053303583 WKMHDPVFJIEIPQ-UHFFFAOYSA-N 305.338 -0.141 30 20 DBED C#CCN1CC2(CC[C@@H](CNC(=O)c3ccc(C(N)=O)o3)O2)C1 1053626599 ZYBZHGINKUBOCB-NSHDSACASA-N 317.345 -0.025 30 20 DBED COc1cnc(C(=O)NC[C@H]2CCC3(CN(CC#N)C3)O2)nc1 1053629659 ATIRCJUOISESTK-LLVKDONJSA-N 317.349 -0.028 30 20 DBED C=CCCN1CC2(C[C@@H](NC(=O)c3nnc(O)nc3O)CO2)C1 1053858471 HPNVLIJZUDJTSC-SECBINFHSA-N 321.337 -0.568 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)c3cnn4cccnc34)CO2)C1 1053889965 WMERHRLCLSEMHC-GFCCVEGCSA-N 311.345 -0.064 30 20 DBED CC(C)C#CC(=O)N1C[C@H]2CN(C(=O)Cn3cnnn3)C[C@H]2C1 1055158947 AXMZSQRXRWWMMY-BETUJISGSA-N 316.365 -0.751 30 20 DBED N#Cc1nccc(N2CCN(C(=O)Cn3ccccc3=O)CC2)n1 1055813622 COEUWSGDPWWKKA-UHFFFAOYSA-N 324.344 -0.141 30 20 DBED CN1C[C@@H](C(=O)N2CCN(c3cncc(C#N)n3)CC2)CC1=O 1056057490 YVQVVGKHTHKZAB-NSHDSACASA-N 314.349 -0.525 30 20 DBED Cc1nc(CC(=O)N[C@H]2[C@@H]3CN(c4cnc(C#N)cn4)C[C@@H]32)n[nH]1 1056201966 GFNLXHUBZWFJFX-HBYGRHMLSA-N 324.348 -0.432 30 20 DBED N#Cc1ccc(N2C[C@H]3[C@H](NC(=O)Cc4cnc[nH]4)[C@H]3C2)nn1 1056427903 AIVVTDPRUWEILR-JYAVWHMHSA-N 309.333 -0.135 30 20 DBED N#CCSCC(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)C(N)=O 1056537346 JIULBHSUSSEALQ-VHSXEESVSA-N 310.379 -0.680 30 20 DBED CNC(=O)NCC(=O)N1CCC[C@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]21 1056678932 UZZLAZLVFMLOAE-SDDRHHMPSA-N 321.381 -0.476 30 20 DBED CN(c1ccc2nnnn2n1)[C@@H]1CCN(C(=O)C#CC2CC2)C1 1056913885 PPKXXKAGXIZEJG-GFCCVEGCSA-N 311.349 -0.030 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCN(CCO)C(=O)c1cccn1C 1056986882 LATISVFPAZJEQZ-MRXNPFEDSA-N 323.393 -0.097 30 20 DBED O=C(C#CC1CC1)NCCN(CCO)C(=O)CO[C@@H]1CCOC1 1057593109 ZUMQAZYXBDKNRR-CQSZACIVSA-N 324.377 -0.858 30 20 DBED C=CCO[C@H](C)C(=O)N(CCO)CCNC(=O)Cn1ccnc1 1057922775 FICAZZAMBYCHEE-CYBMUJFWSA-N 324.381 -0.589 30 20 DBED CN1CCO[C@@H](C(=O)N[C@H]2CCN(c3ncccc3C#N)C2)C1 1058316634 DAWQCWZDIKXZNI-UONOGXRCSA-N 315.377 -0.021 30 20 DBED CN1CCOC[C@@H]1C(=O)N[C@@H]1CCN(c2ccnc(C#N)n2)C1 1058319608 YDGVJNHOCXWOFX-VXGBXAGGSA-N 316.365 -0.626 30 20 DBED N#Cc1cnc(N2C[C@@H]3CC[C@H](C2)N3C(=O)Cn2cncn2)cn1 1058759323 ZDMKJWXBYCVFJZ-BETUJISGSA-N 324.348 -0.180 30 20 DBED N#Cc1nccnc1N1C[C@@H]2CC[C@H](C1)N2C(=O)c1nc[nH]n1 1058769127 AQPLVYBKMXMMCZ-AOOOYVTPSA-N 310.321 -0.040 30 20 DBED C=C1CC(C)(C(=O)N(CCO)CCNC(=O)c2cnnn2C)C1 1058769741 FMVPQYLRAMRYNK-UHFFFAOYSA-N 321.381 -0.278 30 20 DBED CC(=O)N1CC(C(=O)N2CC[C@H](Nc3nccnc3C#N)C2)C1 1058855530 BBNPKACZFINPIP-LBPRGKRZSA-N 314.349 -0.161 30 20 DBED N#Cc1ccc(N[C@H]2C[C@@H](NC(=O)[C@H]3CC[C@@H]3C(N)=O)C2)nn1 1059784330 NRPBXUBMGMWYGJ-USZNOCQGSA-N 314.349 -0.081 30 20 DBED N#Cc1nc(=NC[C@H]2CCN(C(=O)[C@@H]3COCCO3)C2)cc[nH]1 1060821155 SEYBSVMWQXDZBN-NEPJUHHUSA-N 317.349 -0.554 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCOC[C@H]1CNC(=O)c1cc[nH]n1 1061328007 ICFQABGQUZQYIG-ABAIWWIYSA-N 322.365 -0.306 30 20 DBED CC(C)C#CC(=O)N1CCOC[C@@H]1CNC(=O)c1cnn[nH]1 1061697026 ILXNBXXVTGAZIZ-NSHDSACASA-N 305.338 -0.579 30 20 DBED C=CCCCC(=O)NC[C@@H]1COCCN1C(=O)CNC(N)=O 1061828850 DWAVONYSVQWVQX-LLVKDONJSA-N 312.370 -0.645 30 20 DBED CNC(=O)CC(=O)NC1(CNC(=O)c2cc(C#N)c[nH]2)CCC1 1062767870 MCWFFUBLNLWXPN-UHFFFAOYSA-N 317.349 -0.209 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)[C@H]2CN(C)CCO2)CCC1 1064301992 BFOCYDOYUNBWKZ-VXGBXAGGSA-N 308.382 -0.368 30 20 DBED CC[C@@H]1CN(C(=O)C(N)=O)CC[C@@H]1Nc1ccc(C#N)nn1 1064413022 NLUOFFWPQVHFFL-KOLCDFICSA-N 302.338 -0.127 30 20 DBED N#Cc1ccc(N2CC[C@H]3CCN(C(=O)C(N)=O)C[C@@H]32)nn1 1064699183 OWDCCDWFPRZCKN-KOLCDFICSA-N 300.322 -0.739 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(C(=O)c2cc[nH]n2)CCO1 1064889876 DIRLRQXZIKMYID-LBPRGKRZSA-N 302.334 -0.220 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2[nH]nnc2C)CCO1 1065414640 BASFWBPBJJZZGB-LLVKDONJSA-N 323.353 -0.727 30 20 DBED Cc1nn[nH]c1C(=O)N1CCO[C@H](CNC(=O)[C@H](C)C#N)C1 1065416710 XSDKGJUGGASPNT-PSASIEDQSA-N 306.326 -0.770 30 20 DBED N#Cc1cncc(N2CCOC[C@H]2CNC(=O)[C@@H]2CCCO2)n1 1066457798 SHNISUPDZFUYBV-OLZOCXBDSA-N 317.349 -0.151 30 20 DBED C#CCOCCC(=O)N(C)CCCN(C)C(=O)[C@@H]1CCNC1=O 1067428074 XKYFMNDXECBAHI-CYBMUJFWSA-N 323.393 -0.531 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2cnn(CC)c2)C1 1069904289 RDQBBLQAMUBBPG-KGLIPLIRSA-N 313.365 -0.217 30 20 DBED C#CCN[C@@H]1CN(C(=O)CC2(O)CCC2)C[C@@H]1n1ccnn1 1070191484 CAJKNJUBQNMSCL-OLZOCXBDSA-N 303.366 -0.442 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCCN(C(=O)[C@@H](C)NC(C)=O)C1 1070393657 KIGZIPMJYGFUQE-TZMCWYRMSA-N 323.393 -0.342 30 20 DBED C=CCOCC(=O)N1CCC[C@@H](NC(=O)CNC(=O)CC)C1 1070553372 LVQDPAIVUXNXTK-GFCCVEGCSA-N 311.382 -0.178 30 20 DBED C#CCN1CCOC[C@@H]1c1n[nH]c(CNC(=O)c2ccon2)n1 1070582036 RUVSDRSHCXUDQZ-LLVKDONJSA-N 316.321 -0.271 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@@H](NC(=O)CC(C)(C)O)C1 1070635956 CMKNZWBNTOVREE-GFCCVEGCSA-N 323.393 -0.606 30 20 DBED C=CCN[C@@H]1CN(C(=O)[C@H]2COC(=O)N2)C[C@H]1c1cncn1C 1070643152 OKQYOQJJMXHHRV-IJLUTSLNSA-N 319.365 -0.402 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)c4[nH]c(O)nc4C)C[C@@]3(C1)O2 1070813300 MWUSHTSOKFPNTH-XHBSWPGZSA-N 316.361 -0.028 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)c2cnnn2CC)CC1 1070961263 QAVWXVHCSYZPJH-UHFFFAOYSA-N 318.381 -0.805 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CN(C(=O)c2cc[nH]n2)C[C@H]1C 1071652093 QNBJXVFHRVFHIU-PWSUYJOCSA-N 317.349 -0.874 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)c2nnn(C)c2C)C[C@@H]1C 1071854247 XODSYCDDPNTMTL-CMPLNLGQSA-N 321.381 -0.097 30 20 DBED C[C@H]1CC[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)CN1CC#N 1072055695 XNYHUEMNOUCUBY-WDEREUQCSA-N 307.354 -0.627 30 20 DBED C=C(C)CCC(=O)N[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1C 1072162500 ZLHDTFGDUOIPHU-VXGBXAGGSA-N 306.370 -0.008 30 20 DBED C#CCCN1CCC2(C1)CN(C(=O)[C@@H]1CN(C(C)=O)CCO1)C2 1073158116 MVOWVLFKMCZSRC-HNNXBMFYSA-N 319.405 -0.209 30 20 DBED C=CCCN1CCCO[C@@H](CNC(=O)C2CS(=O)(=O)C2)C1 1073620850 PNYTUJWLRLJFJO-ZDUSSCGKSA-N 316.423 -0.186 30 20 DBED C=CCCOCC(=O)N1CC[C@H](NC(=O)CC(N)=O)C[C@@H]1C 1074905059 PMRBMTGGLWDEKY-RYUDHWBXSA-N 311.382 -0.050 30 20 DBED C=CCCO[C@@H](C)C(=O)NCC[C@H](C)NC(=O)c1nnn(C)n1 1075850746 NCLRWFFPIQEIKH-QWRGUYRKSA-N 324.385 -0.184 30 20 DBED C=CCCC(=O)NCC[C@H](C)NC(=O)CN1CCOCC1=O 1075887943 MFJCYAYALGWALO-LBPRGKRZSA-N 311.382 -0.178 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)CC(C)(C)O 1076218719 BUDDZILGZHRMPQ-NSHDSACASA-N 311.382 -0.702 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)CN(C)C(C)C 1076924201 CYQOACLNBSYCLD-ZDUSSCGKSA-N 324.425 -0.523 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1 1077015249 JLOANGXYJOHVAB-HJQYOEGKSA-N 315.801 -0.185 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2c(OC)ccnc2OC)C1 1077371504 RPBOVSIVXZPOBF-GHMZBOCLSA-N 305.334 -0.493 30 20 DBED C#Cc1ccc(C(=O)NCC[C@H](C)NC(=O)CC(=O)NC)cn1 1077632040 FNSDRQSYGOMESW-NSHDSACASA-N 316.361 -0.176 30 20 DBED Cn1nnc(C(=O)N[C@@H]2CN(CC#N)C[C@H]2O)c1C(F)(F)F 1077801595 YKHXNMVGBHJDIP-RNFRBKRXSA-N 318.259 -0.868 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCCCN2C(C)=O)C1 1077825225 KNSVBCXZROJQIE-ARFHVFGLSA-N 321.421 -0.038 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN2C(=O)C(C)C)C1 1078198498 QYBYBZVGQUKJQH-HZSPNIEDSA-N 309.410 -0.019 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)c2cccc3nnn(C)c23)C1 1078295874 CAWMFANMQRDXRC-CHWSQXEVSA-N 301.350 -0.071 30 20 DBED C=CCOCC(=O)N1CC(N(CC)C(=O)[C@]2(C)CNC(=O)C2)C1 1080121986 PYTIXYSRDLGBQH-INIZCTEOSA-N 323.393 -0.226 30 20 DBED C#CCOCCC(=O)N1CC(N(CC)C(=O)[C@@H]2CCNC2=O)C1 1080214784 RCOAFLGHHSNWOK-CYBMUJFWSA-N 321.377 -0.778 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)c2nnn(C)n2)C1 1080272325 CIFMUENZIPDBIG-JTQLQIEISA-N 322.369 -0.526 30 20 DBED C#CCOCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)COCC=C)C1 1081347117 QUNPKGPTLKXHNX-ZIAGYGMSSA-N 324.377 -0.836 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cnn(C)c2N)C1 1081425079 NFTLOYNISKRVTI-PWSUYJOCSA-N 321.381 -0.482 30 20 DBED CCNC(=O)CC(=O)N1C[C@H](O)[C@H](CNC(=O)C#CC(C)C)C1 1081463124 JPQKNPRDDVHELR-OLZOCXBDSA-N 323.393 -0.893 30 20 DBED C=CCCCC(=O)NC[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@@H]1O 1081702232 CMRMAZFVZPJPCS-YPMHNXCESA-N 321.381 -0.280 30 20 DBED C=CCN1C[C@@H](NC(=O)[C@@]2(C)CCCS2(=O)=O)[C@H](OC)C1 1082224587 QMRIOTNFPDAFCR-YRGRVCCFSA-N 316.423 -0.045 30 20 DBED CC(C)N1C(=O)CC[C@H]1C(=O)N1CCO[C@@H]2CN(CC#N)C[C@@H]21 1083173763 CCGOYVFPUXMHAW-MELADBBJSA-N 320.393 -0.179 30 20 DBED C=C(Cl)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CNC(=O)N1 1083179579 DAWSLWOFCKIAAX-OUAUKWLOSA-N 314.773 -0.668 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CCC(=O)N(C)C1 1083285214 JWFHXCWHUNGBLM-QLFBSQMISA-N 319.405 -0.210 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCCN(C(C)(C)C)C2=O)C1 1083717960 WCVVWMCESCDHMI-MJBXVCDLSA-N 321.421 -0.182 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2CN(C[C@H]3CCOC3)C[C@@H]2O)c1 1083765491 HFRBYQPCXYYCIV-BMFZPTHFSA-N 315.373 -0.126 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2cnn(-c3ccccc3)n2)C1 1084043095 DCWBCQQKTAFDQA-KGLIPLIRSA-N 312.333 -0.434 30 20 DBED C#CCCN1CC[C@@H]2CN(C(=O)CC[C@H]3NC(=O)NC3=O)[C@@H]2C1 1084819753 PHTTXJIFIKOYPX-JHJVBQTASA-N 318.377 -0.469 30 20 DBED CC1(C)[C@@H]2[C@H](CCCN2CC#N)[C@H]1NC(=O)Cn1ncnn1 1087286461 RDPGOFJNUWDNEE-RTXFEEFZSA-N 303.370 -0.198 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2cccc(C(N)=O)c2)[C@H](O)C1 1090365220 OKRSVVZFNKYLES-CHWSQXEVSA-N 302.334 -0.526 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cnc(C3CC3)nc2O)[C@@H](O)C1 1090629043 DXKNXFXNGFDQIX-STQMWFEESA-N 316.361 -0.142 30 20 DBED C=CCN1CC[C@H](NC(=O)C2(N3CCOCC3)CCC2)[C@@H](O)C1 1090685644 JYIGAMKKQJJMSE-GJZGRUSLSA-N 323.437 -0.021 30 20 DBED N#CCN1CC[C@H](NC(=O)c2ncc3n2CCCC3)[C@H](O)C1 1090828941 VDGWRKUJNUSLIH-QWHCGFSZSA-N 303.366 -0.092 30 20 DBED C#CCOCCC(=O)NCCNc1ncnc2c1nnn2C 1093893342 WORJTJBEOXPZMP-UHFFFAOYSA-N 303.326 -0.674 30 20 DBED C=C(Cl)CN1CCN(C(=O)COC)[C@@H]2CS(=O)(=O)C[C@@H]21 1094593246 PLHFLYWEUFPEBS-WDEREUQCSA-N 322.814 -0.305 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)c3cc(C)ncn3)CC2=O)C1 1094726106 FNGKBYZKIBVTND-GFCCVEGCSA-N 313.361 -0.567 30 20 DBED CCOCCOCC(=O)N1CC[C@@H](N=c2cc[nH]c(C#N)n2)C1 1095042422 MBCSISBFXSUKIZ-GFCCVEGCSA-N 319.365 -0.164 30 20 DBED C#CCNC(=O)CC(=O)N1CCCN(c2cc(C)ncn2)CC1 1095176335 ZZWQWNTXUPLUBL-UHFFFAOYSA-N 315.377 -0.037 30 20 DBED CCNC(=O)CC(=O)N1CC[C@H](Nc2nccnc2C#N)C1 1096937959 YGWADLSXPYTZRK-JTQLQIEISA-N 302.338 -0.113 30 20 DBED C[C@@H](CNC(=O)[C@H]1CN(C)CCO1)Nc1ccc(C#N)nn1 1097768680 QCOFIJWGIUOWES-CMPLNLGQSA-N 304.354 -0.405 30 20 DBED CCC(=O)N[C@@H](C)C(=O)N1CCC(N(CC#N)CCO)CC1 1098376615 VUAXHPHSHUVEPQ-LBPRGKRZSA-N 310.398 -0.290 30 20 DBED C#CCN(CCO)C1CCN(C(=O)c2c[nH]c(C(N)=O)c2)CC1 1098564100 MQCSSDXAKMGRMV-UHFFFAOYSA-N 318.377 -0.354 30 20 DBED CCc1nc(C#N)cc(N[C@H](C)CCNC(=O)CNC(N)=O)n1 1098782490 TXZLXPWBGMTQOG-SECBINFHSA-N 319.369 -0.114 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1CCN(Cc2nc(O)n[nH]2)C[C@H]1O 1099957270 NCYAYVDWURRKHD-NXEZZACHSA-N 309.370 -0.226 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CCc2cnn(C)n2)[C@H](O)C1 1100009232 VCEBLBYOAIWEFG-ZIAGYGMSSA-N 305.382 -0.678 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)C[C@@H]2CCOC2)C1 1100213089 KOXRTQYXDROQSI-HSBZDZAISA-N 307.394 -0.353 30 20 DBED COC[C@@H](O)CNC1CC(CNC(=O)c2ccc(C#N)[nH]2)C1 1100246016 NVJQHODUDQNPCQ-GDKBPFBDSA-N 306.366 -0.008 30 20 DBED C[C@H](NC(N)=O)C(=O)NC[C@H]1CCCN1c1cncc(C#N)n1 1100825223 LOEJFFTUPBSSFU-GXSJLCMTSA-N 317.353 -0.510 30 20 DBED CCCN(CCNC(=O)Cn1ncnn1)c1ccnc(C#N)n1 1101191036 LGTJOPWEPSCFLW-UHFFFAOYSA-N 315.341 -0.632 30 20 DBED Cc1cc(C#N)nc(NCCN(C)C(=O)[C@H]2COC(=O)N2)n1 1101572694 VIOMJDDZRUVAPQ-SNVBAGLBSA-N 304.310 -0.365 30 20 DBED C#CCN1C[C@@H](C)[C@H](CCNC(=O)CS(=O)(=O)NC)C1 1103733939 NPNJUHIMYPVGDL-VXGBXAGGSA-N 301.412 -0.757 30 20 DBED N#Cc1c(F)cccc1N1CCO[C@@H](CNC(=O)CC(N)=O)C1 1104304879 CNTKGOTUEYZHQF-JTQLQIEISA-N 320.324 -0.106 30 20 DBED N#CCNCc1cn(C2CN(C(=O)CC3OCCCO3)C2)nn1 1105221536 MYBDNYUQLAZILG-UHFFFAOYSA-N 320.353 -0.572 30 20 DBED CC(=O)N(C)CC(=O)N1CCC(OC2CN(CC#N)C2)CC1 1105691831 YAYUVJMJEJMJCK-UHFFFAOYSA-N 308.382 -0.320 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H](O)CNC(=O)c1cnns1 1105723692 VCLQMKNVAMZFEK-VIFPVBQESA-N 304.335 -0.571 30 20 DBED Cc1ccc(C(=O)NC[C@@H](O)CNc2cncc(C#N)n2)nn1 1105827834 YTOSTPPQUXOECW-NSHDSACASA-N 313.321 -0.351 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1 1106125526 XHRIZOCNCJVBOJ-TUAOUCFPSA-N 317.349 -0.750 30 20 DBED C[C@@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)Cc1nc[nH]n1 1106435838 VSWUKHHMBIRANF-VIFPVBQESA-N 300.326 -0.562 30 20 DBED C=CCO[C@H](C)C(=O)NCc1cn(C2CN(CCO)C2)nn1 1107241226 PFEYGLGVOWLCSQ-LLVKDONJSA-N 309.370 -0.666 30 20 DBED Cc1cc(C#N)nc(NC/C=C/CNC(=O)c2nnn(C)n2)n1 1107450310 DMSGDZSJSYJPAD-ONEGZZNKSA-N 313.325 -0.422 30 20 DBED CNC(=O)CN1CCO[C@](C)(CNC(=O)c2c[nH]c(C#N)c2)C1 1107883594 XQBVNMNDOAYWMY-OAHLLOKOSA-N 319.365 -0.547 30 20 DBED C=CCOCCN1CCO[C@](C)(CNC(=O)Cn2nccn2)C1 1107973016 ODEDWEZKEBWYQT-OAHLLOKOSA-N 323.397 -0.312 30 20 DBED CC#CCN1CCO[C@@](C)(CNC(=O)C[C@H]2CCNC2=O)C1 1107995250 XJOIAGZKSBOMOO-CJNGLKHVSA-N 307.394 -0.257 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)c2cc(C(N)=O)c[nH]2)C1 1108304492 GHNZWHCITGHOOM-HNNXBMFYSA-N 304.350 -0.433 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)C(C)(C)N(C)CC)CC2=O)C1 1108553256 INWKLNPUSKNCPO-CYBMUJFWSA-N 320.437 -0.249 30 20 DBED C[C@H](CN(C)c1nccnc1C#N)NC(=O)[C@H]1CCC(=O)N1C 1109187451 KFJYXXKOIYCEQW-ZYHUDNBSSA-N 316.365 -0.090 30 20 DBED N#Cc1nc(=NC[C@H]2CCCC[C@@H]2NC(=O)CC(N)=O)cc[nH]1 1109336076 ITJLCLIFKQWXTN-MNOVXSKESA-N 316.365 -0.268 30 20 DBED CN(C)CCC(=O)N[C@H]1[C@H]2C[C@H]1N(c1ccnc(C#N)n1)C2 1109739588 CUVQQFOVTMWJCI-RWSFTLGLSA-N 300.366 -0.007 30 20 DBED CN(C)C(=O)CC(=O)N[C@@]1(C)CCN(c2cnc(C#N)cn2)C1 1110817737 JRHIATJNPJZLNQ-HNNXBMFYSA-N 316.365 -0.088 30 20 DBED CCO[C@H]1C[C@H]1C(=O)N(CCO)CCN=c1cc[nH]c(C#N)n1 1111425362 GQJRZABLZZTAIV-NEPJUHHUSA-N 319.365 -0.572 30 20 DBED Cn1cc(C(=O)N(CCO)CCNc2ccc(C#N)cn2)nn1 1111460990 TYTRHNPLXSGALS-UHFFFAOYSA-N 315.337 -0.372 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)Cc2ccon2)CC1 1112734914 PSTKEQPSZKYSEO-GFCCVEGCSA-N 304.350 -0.501 30 20 DBED C[C@H](Nc1ccc(C#N)nc1)[C@@H](C)NC(=O)Cn1cnnn1 1112906214 XYKNWHKQTHQQFZ-VHSXEESVSA-N 300.326 -0.055 30 20 DBED C[C@@H](N=c1cc[nH]c(C#N)n1)[C@@H](C)NC(=O)CCn1cncn1 1112955857 WBAJJTXURKUOFM-GHMZBOCLSA-N 314.353 -0.243 30 20 DBED COCC#CCN1CCN(C(=O)CCCCNC(N)=O)CC1 1113078723 WLDMCHDNDNRPGP-UHFFFAOYSA-N 310.398 -0.381 30 20 DBED C[C@H](N=c1cc[nH]c(C#N)n1)[C@@H](C)NC(=O)CC(=O)N(C)C 1113318850 DFLDWUUVRWFGBW-VHSXEESVSA-N 304.354 -0.446 30 20 DBED C[C@@H](CNC(=O)C[C@@H](C)NC(N)=O)N(C)c1cncc(C#N)n1 1113720058 MPOAHVDAQWNIJP-ZJUUUORDSA-N 319.369 -0.264 30 20 DBED C=CCCO[C@H](C)C(=O)N[C@H]1[C@@H]2CN(CC(=O)NC(N)=O)C[C@@H]21 1113999063 IOTDJMWPNZUHPA-DCQANWLSSA-N 324.381 -0.791 30 20 DBED C=CCOCC(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC3CC3)C[C@@H]21 1114051359 UIMCYTHKEGVXTI-VIKVFOODSA-N 307.394 -0.238 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1[C@@H]2CN(CCN3C(=O)CCC3=O)C[C@@H]21 1114072386 QZBOCGFIJICOEQ-KZWBYHQPSA-N 304.350 -0.659 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1[C@@H]2CN(CCOCC(C)C)C[C@@H]21 1114160409 XMZIKTUETZXCOS-HALDLXJZSA-N 321.421 -0.155 30 20 DBED CS(=O)(=O)CC1(CC(=O)N[C@H]2[C@@H]3CN(CC#N)C[C@@H]32)CC1 1114283170 OADQGABTABLTQW-PJXYFTJBSA-N 311.407 -0.229 30 20 DBED N#CCNC(=O)CN1C[C@@H]2C(NC(=O)Cc3cncs3)[C@H]2C1 1114432526 CBHZTFNFVAJKCG-QWRGUYRKSA-N 319.390 -0.628 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)CCc3ccon3)[C@H]2C1 1114570549 HARZJEIFCZSEAV-VIKVFOODSA-N 316.361 -0.597 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)c3ccn(C)n3)[C@H]2C1 1115243109 JAOLQQGIOMILCN-CIQGVGRVSA-N 315.377 -0.782 30 20 DBED COCC#CCN1C[C@@H]2C(NC(=O)CCN3CCCC3=O)[C@H]2C1 1115256529 WAOKPHKZLTXQEY-KBPBESRZSA-N 319.405 -0.305 30 20 DBED C=CCCOCC(=O)NC1[C@@H]2CN(Cc3nnnn3C)C[C@@H]12 1115323988 JFDWDOKOYLRKMH-GHMZBOCLSA-N 306.370 -0.651 30 20 DBED C[C@@H](CN(C)C(=O)[C@H]1CCC(=O)N1)Nc1nccnc1C#N 1115656299 FVSKEJPIGLHSST-VHSXEESVSA-N 302.338 -0.114 30 20 DBED CCCCCN(CCO)C(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1118182954 CGMVJEMTFWPFQE-HNNXBMFYSA-N 311.382 -0.125 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)N[C@@H]2CCc3n[nH]cc3C2)C1 1118212110 YQVJWSPSQLEKJI-ABAIWWIYSA-N 317.349 -0.740 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N(C)CC(C)(C)S(C)(=O)=O 1119140914 KPHSHDFGTOROMW-JTQLQIEISA-N 320.411 -0.415 30 20 DBED C=CCNC(=O)[C@H](C)NC1CC2(CC(NC(=O)CC(N)=O)C2)C1 1120879286 SVHADWGDQKKGLH-MJMQAPBISA-N 322.409 -0.431 30 20 DBED CC(=O)NCC(=O)NC[C@H](CO)Nc1ccc(C#N)c(C)n1 1121127595 DJQJUQFLWMENKA-GFCCVEGCSA-N 305.338 -0.713 30 20 DBED C=CCCO[C@@H](C)C(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1 1121172871 VECHGKKSTHZWOZ-RYUDHWBXSA-N 319.365 -0.360 30 20 DBED N#Cc1c(F)cccc1N[C@H](CO)CNC(=O)[C@@H]1CNC(=O)N1 1122435754 BGEBDSPFCSQYPE-UFBFGSQYSA-N 321.312 -0.732 30 20 DBED Cc1c[nH]c(C(=O)NC[C@@H](CO)Nc2cnc(C#N)cn2)n1 1122686264 ATSJTLNFJYKUCL-JTQLQIEISA-N 301.310 -0.417 30 20 DBED CN(C[C@H](O)CN(C)c1cnc(C#N)cn1)C(=O)[C@@H]1CCOC1 1124995035 OKTXJSXFUNBOJK-DGCLKSJQSA-N 319.365 -0.360 30 20 DBED CNC(=O)CC(=O)N[C@@H](CN=c1cc[nH]c(C#N)n1)C(C)(C)C 1125875176 WFNAZUGKSRJJFV-JTQLQIEISA-N 318.381 -0.151 30 20 DBED COCCC(=O)NCCN(CCOC)c1nccnc1C#N 1126158548 QWCMVBTYIXIDLT-UHFFFAOYSA-N 307.354 -0.046 30 20 DBED C[C@H](NC(N)=O)C(=O)N(C)C1CC(N=c2cc[nH]c(C#N)n2)C1 1126919621 FHFYQPRLAFWJFD-IDKOKCKLSA-N 317.353 -0.772 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)CCc1cc(OC)no1 1128367563 KUGQVHNCXUYXHN-NSHDSACASA-N 322.365 -0.541 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)CCc1ccncn1 1128432370 PYGWRYDGFIQTDE-GFCCVEGCSA-N 305.382 -0.194 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)[C@@H]1CO[C@@H](C)C1 1130504473 OJHYAVFKLDSTNP-QWRGUYRKSA-N 312.370 -0.871 30 20 DBED C#CCN1CCOC[C@@H]1c1n[nH]c(CNC(=O)[C@H](C)OCC)n1 1130832459 XEHWVKVJYMVRHT-NWDGAFQWSA-N 321.381 -0.148 30 20 DBED CCC(=O)N[C@H](C)C(=O)N1CCC(=O)NCCN(CC#N)CC1 1131362234 QJMVBPGBNAOCCZ-GFCCVEGCSA-N 323.397 -0.925 30 20 DBED C#CCNC(=O)CN1C[C@H](NC(=O)c2ncn(C)n2)CC[C@@H]1C 1132003444 VMGANUYZHISLIE-NWDGAFQWSA-N 318.381 -0.853 30 20 DBED C#CCNC(=O)CN1C[C@H](NC(=O)[C@@H]2[C@H]3COC[C@H]32)CC[C@H]1C 1132228984 YXYTZZUVSATWLG-FAHYXWLWSA-N 319.405 -0.403 30 20 DBED C=CCNC(=O)CNC[C@@H]1CN(C(=O)CNC(C)=O)CC[C@H]1C 1132599712 UXJGJMKGEMZJTA-TZMCWYRMSA-N 324.425 -0.501 30 20 DBED N#CCOc1ccc(CNCCNC(=O)[C@H]2CNC(=O)N2)cc1 1133128318 BDLCUPOLFJVWLC-CYBMUJFWSA-N 317.349 -0.524 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)[C@]2(C)CCC(=O)N2)C1=O 1133473324 IAVHDGQHSSLGHR-ABAIWWIYSA-N 308.382 -0.852 30 20 DBED COCC#CCN[C@H](C)C[C@H](C)NC(=O)C1CS(=O)(=O)C1 1134426931 IFVNIBVNLVTRQO-NEPJUHHUSA-N 316.423 -0.446 30 20 DBED C=CCOCCNCCNC(=O)C(C)(C)NC(=O)NCC 1134705314 KZUPOVVUQWDJBK-UHFFFAOYSA-N 300.403 -0.008 30 20 DBED C=CCNC(=O)CNCCNC(=O)CNC(=O)CCC(C)C 1135400880 OIAQVYXPOIKFBM-UHFFFAOYSA-N 312.414 -0.453 30 20 DBED C#CCCN[C@@H](C)C[C@H](C)NC(=O)CN1CC(=O)N(C)C1=O 1135920519 VTAUZOUSZJQVMF-RYUDHWBXSA-N 308.382 -0.223 30 20 DBED C#CCCN[C@@H](C)C[C@@H](C)NC(=O)c1cn(C)c(=O)nc1O 1146314564 NDNUMOMWSLYSAR-WDEREUQCSA-N 306.366 -0.004 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)[C@H]2CCC(=O)N(C)C2)C1=O 1152509127 QNPRVGNIBVPAHX-QWHCGFSZSA-N 322.409 -0.653 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1c(OC)ncnc1OC 1153597624 DOAHXSLKZMZDSW-UHFFFAOYSA-N 323.353 -0.885 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)CCc1ncc[nH]1 1157264079 BPCRISGJBUKVOH-LBPRGKRZSA-N 305.382 -0.424 30 20 DBED C=CCN1CC=C(CCNC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 1161343597 LIQMZBXHBUFLJK-LBPRGKRZSA-N 306.366 -0.091 30 20 DBED COCC#CCNCCCNC(=O)[C@]12C[C@H]3C[C@H](C(=O)N1)[C@H]2C3 1161438104 GOBFJTMYJOPXMD-SZOQZIPDSA-N 319.405 -0.353 30 20 DBED N#Cc1cc(CNCCCNC(=O)[C@H]2CNC(=O)N2)ccc1F 1165468781 TYLQXAAZBIZDOA-CYBMUJFWSA-N 319.340 -0.025 30 20 DBED C=C(Cl)CNCCCNC(=O)CNS(=O)(=O)N(C)C 1167421669 AQMOFZWEMPKORP-UHFFFAOYSA-N 312.823 -0.769 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)Cc1cnn(CC)c1 1170820705 UNGXYLHPMLIKSJ-ZDUSSCGKSA-N 319.409 -0.321 30 20 DBED COCCCOCC(=O)N1CC[C@@H]2OCCN(CC#N)[C@@H]2C1 1177131326 MVZZURQHLQBBPR-KGLIPLIRSA-N 311.382 -0.135 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)COCC2CC2)[C@H]1C 1178188789 OWMNCQAMTDHLAD-JSGCOSHPSA-N 307.394 -0.259 30 20 DBED C=CCNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)C#CC2CC2)C1 1182388499 GVLDMZPUDGDXCM-CYBMUJFWSA-N 318.377 -0.398 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)Cc2ccn(C)n2)C1 1190067729 SKMBQBJZJVXODC-CQSZACIVSA-N 319.409 -0.203 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)CCc2ccon2)C1 1191352320 ULOYXLJKQPCYMI-CQSZACIVSA-N 318.377 -0.111 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2csnn2)C1 1191585632 GILYGSIAKJDKNZ-JTQLQIEISA-N 307.379 -0.566 30 20 DBED CCC[C@@H](OC)C(=O)N1CC[C@H](N(C)CC(=O)NCC#N)C1 1191695539 JWLSSLPFYLILHX-QWHCGFSZSA-N 310.398 -0.026 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2ccccn2)C[C@H]1O 1192886526 RWJOTHYFNUNIFC-HUUCEWRRSA-N 303.362 -0.217 30 20 DBED C=C[C@H](CC)CC(=O)N[C@@H]1CN(CCN2CCNC2=O)C[C@H]1O 1195568398 ZIEXQYJGEQICTO-MGPQQGTHSA-N 324.425 -0.225 30 20 DBED COCC#CCN1CCCN(C(=O)[C@H]2CCC(=O)NC2)CC1 1196388403 KQBJLYSWSQHEHY-AWEZNQCLSA-N 307.394 -0.303 30 20 DBED N#CCNC(=O)CN1CCCN(C(=O)Cc2cnoc2)CC1 1196890675 VNXIKCCFTHWALM-UHFFFAOYSA-N 305.338 -0.609 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)CNC(=O)C2CC2)CCCO1 1199955828 AGYUWMZHAFWNRF-CQSZACIVSA-N 307.394 -0.257 30 20 DBED C=CCNC[C@H]1CN(C(=O)c2cn(C)c(=O)cn2)CCCO1 1201023128 LTCAFBHTQMJAGK-LBPRGKRZSA-N 306.366 -0.213 30 20 DBED C#CCNC[C@H]1CN(C(=O)COCc2nncn2C)CCCO1 1201757950 IYEJDEFVOKSFFA-ZDUSSCGKSA-N 321.381 -0.828 30 20 DBED N#CCNCC1CCN(C(=O)[C@@H]2CCc3nnc(O)n3C2)CC1 1205549681 ZKXWBUSCVDMMOW-GFCCVEGCSA-N 318.381 -0.102 30 20 DBED COCC#CCN1C[C@@H](NC(=O)CS(C)(=O)=O)[C@H](C)C1 1206365217 SAXMOOCEFVAGRK-VXGBXAGGSA-N 302.396 -0.883 30 20 DBED C#CCCNCC1CCN(C(=O)C[C@H]2CC(=O)NC2=O)CC1 1206979519 ARXPXCYFTFZHJZ-CYBMUJFWSA-N 305.378 -0.109 30 20 DBED C=CCCCN1C[C@@H](NC(=O)CNC(=O)CNC(C)=O)[C@H](C)C1 1207734495 WWBLXGDPRBFYAQ-TZMCWYRMSA-N 324.425 -0.359 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2CCN(C)C2)C1 1211065589 XSHXLKHBAKDRRD-ZIAGYGMSSA-N 308.426 -0.179 30 20 DBED CC#CCN1C[C@@H](NC(=O)C(C)(C)CNC(C)=O)[C@H](OC)C1 1213566887 FKVXOMGWNOXKKD-ZIAGYGMSSA-N 309.410 -0.013 30 20 DBED C[C@@H]1CC[C@H](C(=O)N2C[C@@H](NCC(=O)NCC#N)[C@H](C)C2)O1 1215594440 LEBSAYQFUIABOC-FDYHWXHSSA-N 308.382 -0.370 30 20 DBED C[C@@H]1CN(C(=O)CCn2cccc2)C[C@H]1NCC(=O)NCC#N 1216057052 CPKHJVGFAPAUQL-ZIAGYGMSSA-N 317.393 -0.046 30 20 DBED C=CCCC(=O)N[C@@H]1CN(C[C@@H](C)CS(C)(=O)=O)C[C@@H]1O 1219346156 DEMPSXMIRDAODD-UPJWGTAASA-N 318.439 -0.205 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 1219475932 JYXLGJSZDIZXOL-KGLIPLIRSA-N 302.334 -0.689 30 20 DBED C=CCCCN1C[C@H](O)[C@H](NC(=O)C[C@H]2CCN(C)C2=O)C1 1219851334 LRCSBWQAEPLUIQ-MCIONIFRSA-N 309.410 -0.018 30 20 DBED CC#CCCCC(=O)N[C@@H]1CN([C@@H]2CCN(CC)C2=O)C[C@@H]1O 1220186091 XUGBVZOYZQFDDK-KFWWJZLASA-N 321.421 -0.038 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)Cc1cncs1 1235651242 GWDFDXUHAKNPKJ-LBPRGKRZSA-N 320.418 -0.032 30 20 DBED Cn1nccc1[C@H](O)C1CCN(C(=O)NCC#CCO)CC1 1262196090 XITLBAHAKUATJL-CQSZACIVSA-N 306.366 -0.129 30 20 DBED C#CCCCC(=O)N[C@@H]1CCCN(CC(=O)NC(=O)NC)C1 1267924442 HWGHALYMEMAJOU-GFCCVEGCSA-N 308.382 -0.174 30 20 DBED C=CCNC(=O)[C@@H](C)NC[C@H]1CCCN1C(=O)c1cnon1 1270280924 AQKZLKIOWIXEGO-GHMZBOCLSA-N 307.354 -0.046 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC[C@@H](NC(=O)Cc2nc[nH]n2)C1 1316954067 LFAOTTUZOTVJIG-NWDGAFQWSA-N 318.381 -0.934 30 20 DBED C=C[C@@H]1CCCCN1C(=O)C(=O)NCCS(=O)(=O)NC 1322719515 RWLWIOOOKGSELF-SNVBAGLBSA-N 303.384 -0.781 30 20 DBED CC(C)N1C[C@@H](NC(=O)C(=O)N2CC[C@@](F)(C#N)C2)CC1=O 1322814358 QBODVAVUOOMTAA-IINYFYTJSA-N 310.329 -0.424 30 20 DBED C#CCSCCNC(=O)C(=O)NCc1ccnc(N(C)C)n1 1323115332 XPMZJGKOHKBSOP-UHFFFAOYSA-N 321.406 -0.359 30 20 DBED C#CCOCCNC(=O)C(=O)NCc1csc(N(C)C)n1 1323698975 ONLMIEJPTSOFSC-UHFFFAOYSA-N 310.379 -0.409 30 20 DBED COC(=O)c1ccc(NC(=O)C(=O)NCC(=O)NCC#N)cc1 1324974113 UKECTYNBOAGIIS-UHFFFAOYSA-N 318.289 -0.832 30 20 DBED N#Cc1cccc(NC(=O)C(=O)NCC2(CC(N)=O)CC2)n1 1326076753 FENNXGLETDPSKO-UHFFFAOYSA-N 301.306 -0.336 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)N[C@H]2CCC[C@@H]2CCO)C1 1326109622 AOZLFFBCEUEWAS-XUJVJEKNSA-N 309.366 -0.469 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)N2CCOC[C@@H]2C2CCC2)CCO1 1326242032 UKZKVCQESGTETE-QWHCGFSZSA-N 307.350 -0.235 30 20 DBED C#CC1CCN(C(=O)C(=O)N2CCC(O)(COC)CC2)CC1 1326534350 WEUBMQULDCAYLU-UHFFFAOYSA-N 308.378 -0.142 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)N2CC[C@@H]3OCCC[C@H]3C2)C1 1327025865 VYIQHOJJFOLLEI-XEZPLFJOSA-N 321.377 -0.109 30 20 DBED C#CCCCNC(=O)C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 1327912936 AKUPRQVLOZDFMG-NSHDSACASA-N 315.395 -0.944 30 20 DBED CN1C[C@@H]2CCCN(C(=O)C(=O)N3CCO[C@H](C#N)C3)[C@@H]2C1 1328041410 KLWLNSCSBJDLIH-YNEHKIRRSA-N 306.366 -0.710 30 20 DBED C[C@H]1CC(=O)NCCN1C(=O)C(=O)N1CCC[C@@H](CC#N)C1 1328181239 NYUSBCXRZSOSKG-RYUDHWBXSA-N 306.366 -0.124 30 20 DBED Cc1cccc(CCNC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)n1 1328280354 UZVWBWLHEDKYGI-INIZCTEOSA-N 316.361 -0.074 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCC[C@H]1COC 1330417019 IZXZZAYFALYFGP-NSHDSACASA-N 318.395 -0.659 30 20 DBED CC(=O)N1C[C@H]2CN(C(=O)C(=O)NCCCCC#N)C[C@H]2C1 1332827080 VQDRJPUNGSIERA-BETUJISGSA-N 306.366 -0.267 30 20 DBED CS(=O)(=O)CCCNC(=O)C(=O)NCC#Cc1ccccc1 1340320474 IFANPKYMFKSCFI-UHFFFAOYSA-N 322.386 -0.295 30 20 DBED C#CCSCCNC(=O)C(=O)N[C@H]1CCCS(=O)(=O)C1 1342120667 KLMLOEXRGACCQR-JTQLQIEISA-N 318.420 -0.838 30 20 DBED CC[C@@H]1C[C@H]1NC(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1346279117 ZIRHJKWUMCJZIJ-QNHQHOPMSA-N 320.349 -0.456 30 20 DBED N#Cc1cn(CCNC(=O)C2SCCS2)c(=O)nc1O 1362998170 DHLMDRZWNAOSAJ-UHFFFAOYSA-N 312.376 -0.257 30 20 DBED CCS(=O)(=O)NCCS(=O)(=O)N1CCC[C@@H](C#N)C1 1364029268 CTOSLPFUMMUELI-JTQLQIEISA-N 309.413 -0.509 30 20 DBED COCCN1CCC[C@@H](Nc2[nH]c(=O)n(C)c(=O)c2C#N)C1 1364204624 SVOFTVIDKBHMAN-SNVBAGLBSA-N 307.354 -0.532 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CCN(C(=O)c2cccc(C(N)=O)n2)C1 1372306194 WXFXKLZNXRXMKG-UWVGGRQHSA-N 315.333 -0.329 30 20 DBED C[C@@H](CNC(=O)CCn1ccnn1)NC(=O)c1cc(C#N)c[nH]1 1372852190 MODMPYZJBSHTIY-JTQLQIEISA-N 315.337 -0.197 30 20 DBED C=C(Cl)CNC[C@H](O)CN(C)C(=O)c1nc2ncccn2n1 1379843971 NTJNPRDQCUQUHO-JTQLQIEISA-N 324.772 -0.101 30 20 DBED COc1c[nH]c(C(=O)NC[C@H](C)NC(=O)[C@H](C)C#N)cc1=O 1386928369 FZZORXSIUZKHRZ-BDAKNGLRSA-N 306.322 -0.222 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CCNC(=O)CCNC(N)=O)CC1 1399216684 ITTVBIXLEZTWOR-LLVKDONJSA-N 323.397 -0.051 30 20 DBED COCCn1ccc(C(=O)NCCN(C)C(=O)[C@H](C)C#N)n1 1415572355 PQFODXSJAMGXHD-LLVKDONJSA-N 307.354 -0.123 30 20 DBED CCCNC(=O)NC(=O)CN[C@H]1C[C@H](NC(=O)[C@@H](C)C#N)C1 1418052742 RUFRKRVMDMNXMB-DCAQKATOSA-N 309.370 -0.381 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(CCNC(=O)c2ccnn2C)CC1 1429800427 QQSDTNGZYYELFN-LBPRGKRZSA-N 318.381 -0.546 30 20 DBED C[C@H](C#N)C(=O)NC1CN(C(=O)[C@H]2CCc3cncn3C2)C1 1430286835 DCMUJBRHDHEQKZ-MNOVXSKESA-N 301.350 -0.068 30 20 DBED C[C@@H](C(=O)NC(=O)NC1CC1)N(C)CCNC(=O)[C@H](C)C#N 1442377459 KUZVGUHBQIHFKS-ZJUUUORDSA-N 309.370 -0.429 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1C[C@@H](NC(=O)CCn2ccnn2)C1 1445962602 WRDHWHJGDNYSCK-UTUOFQBUSA-N 304.354 -0.161 30 20 DBED C[C@@H](CNC(=O)[C@H](C)C#N)NC(=O)CNC(=O)c1ccccn1 1454728559 CREGQFIFVYPOEJ-MNOVXSKESA-N 317.349 -0.408 30 20 DBED CN(C)S(=O)(=O)CCNC(=O)NCC1(C#N)CCOCC1 1470376505 UKNQPXSADGLWML-UHFFFAOYSA-N 318.399 -0.503 30 20 DBED Cc1n[nH]c(C)c1CC(=O)NC[C@H](O)CNC(=O)[C@@H](C)C#N 1501520170 XXHWWOYAIPMHME-KWQFWETISA-N 307.354 -0.678 30 20 DBED Cc1c[nH]cc1C(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1 1523842444 IASSWIVEUUWAID-JTQLQIEISA-N 309.347 -0.097 30 20 DBED C=CCOC[C@H](NC(=O)C1=CS(=O)(=O)CCC1)C(=O)O 1573368603 HGXMOZWKHZKURR-JTQLQIEISA-N 303.336 -0.149 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N1C[C@H]2COC[C@@]2(C(=O)O)C1 1573576955 RTLAESUGQBGUJH-SCVCMEIPSA-N 317.367 -0.502 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nn[nH]n2)C1 1573585691 IEIBBOYKPILGMH-IWSPIJDZSA-N 313.325 -0.125 30 20 DBED Cc1cc(C#N)c(O)nc1C(=O)N[C@@H]1CN(C(=O)O)C[C@@H]1CO 1574128033 RZMHXZPBHBYVHX-NXEZZACHSA-N 320.305 -0.332 30 20 DBED CCC[C@H]1C(=O)NCCN1c1cnc(-c2nn[nH]n2)c(C#N)n1 1577388507 NQHSVHMCWFXARN-VIFPVBQESA-N 313.325 -0.367 30 20 DBED CN(C)CC#CCNC(=O)NC[C@@H]1CC2(CCNCC2)C(=O)O1 1578412893 BYYWJNONYOEIRS-ZDUSSCGKSA-N 322.409 -0.464 30 20 DBED COc1cc(CNS(=O)(=O)N2CCNCC2)ccc1C#N 1579154212 YKDIQZCLTLEKPY-UHFFFAOYSA-N 310.379 -0.194 30 20 DBED C#CCN(CC(=O)O)c1nnc(-c2cnc(OC)cn2)n1C 1588426257 CSJZHZPLIDVCIE-UHFFFAOYSA-N 302.294 -0.195 30 20 DBED CN(C)CCCNC(=O)Cn1cnc(-c2nn[nH]n2)c1C#N 1591016461 XQJQDMKBMFHVTH-UHFFFAOYSA-N 303.330 -0.997 30 20 DBED CNC(=O)CCCN(C)c1cnc(C#N)c(-c2nn[nH]n2)n1 1591206865 MERXMUNLQXJVLT-UHFFFAOYSA-N 301.314 -0.509 30 20 DBED COC(=O)c1ccoc1Cn1c(N)nc(-c2nn[nH]n2)c1C#N 1604987242 UVFOOORGWQABML-UHFFFAOYSA-N 314.265 -0.055 30 20 DBED N#Cc1c(-c2nn[nH]n2)nc(N)n1Cn1nnc2ccccc21 1606356522 VRWJDYRUDQKFGW-UHFFFAOYSA-N 307.281 -0.232 30 20 DBED N#Cc1ccc(O[C@H]2CCN(CC(=O)NCC(=O)O)C2)nc1 1608209018 HYQXGRGYEMVEQL-NSHDSACASA-N 304.306 -0.393 30 20 DBED N#CCN(CC(=O)O)S(=O)(=O)c1cnn(CC(F)F)c1 1610623370 YOOAJYYCLJPKMN-UHFFFAOYSA-N 308.266 -0.253 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1C[C@H](NC(=O)[C@@H](C)NC(=O)CC)C1 1752632606 HPNCDMDTZFCOLG-RNJOBUHISA-N 322.409 -0.724 30 20 DBED C#CCNC(=O)CN[C@@H](C)CNC(=O)CCc1ccncn1 1752877628 XSZWMIDKNWPKAZ-LBPRGKRZSA-N 303.366 -0.747 30 20 DBED CN(CC(=O)NCC#N)[C@@H]1CCCN(C(=O)C#CC2CC2)C1 1752990192 CMVNVBCNCBMOIL-CQSZACIVSA-N 302.378 -0.038 30 20 DBED CNC(=O)NC(=O)[C@H](C)N(C)CCNC(=O)C#CC(C)(C)C 1753048947 LLJNEJFVRVEGHJ-NSHDSACASA-N 310.398 -0.072 30 20 DBED CCN(CCNC(=O)C(N)=O)Cc1ccc(OC)c(C#N)c1 1753086958 NWZVXNMFDWXBHD-UHFFFAOYSA-N 304.350 -0.010 30 20 DBED CCCN(CCNC(=O)[C@@H]1CCN(C)[C@@H]1C)CC(=O)NCC#N 1753143121 JVKROIYZTQQDHS-ZIAGYGMSSA-N 323.441 -0.205 30 20 DBED C#CCNC(=O)CNC[C@H](O)CNC(=O)c1cc[nH]c1C(C)C 1753924968 IFDJEISEGBHSPV-LBPRGKRZSA-N 320.393 -0.432 30 20 DBED C#CCNC[C@H](O)CNC(=O)c1nc2nc(C)cc(C)n2n1 1753936162 RBCCWLVUFCJTNX-NSHDSACASA-N 302.338 -0.945 30 20 DBED COCC#CCN(C)C[C@@H](C)NC(=O)c1cccnc1C(N)=O 1754333367 PNMOIUSFBSJHAZ-GFCCVEGCSA-N 318.377 -0.120 30 20 DBED CN(CCCNCC(=O)NCC#N)C(=O)C[C@@H]1CCCC(=O)N1 1754383481 QRNLOQSYDLVVGJ-LBPRGKRZSA-N 323.397 -0.877 30 20 DBED C=CCNC(=O)[C@H](C)N1CC[C@H]1CNC(=O)c1[nH]nnc1C 1754490761 VWHPAMOUJUVTHW-QWRGUYRKSA-N 306.370 -0.392 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(O)CN(Cc2cnn(C)c2)C1 1754774000 JMXKJDAJMCEVJN-CQSZACIVSA-N 308.382 -0.590 30 20 DBED C=CCn1cc(C(=O)N[C@@H](CO)CNC(=O)[C@@H](C)C2CC2)nn1 1756511368 ZJLHKURQSIRABJ-CMPLNLGQSA-N 321.381 -0.283 30 20 DBED CC(C)(C)C#CC(=O)N[C@@H](CO)CNC(=O)COCC(F)F 1756536835 RHXGRYJTVOYNJW-SNVBAGLBSA-N 320.336 -0.089 30 20 DBED CN(C[C@H](O)CNC(=O)CSCC#N)C(=O)c1cc[nH]n1 1756654795 YVPZHWFSVCQKGX-SECBINFHSA-N 311.367 -0.784 30 20 DBED C=C[C@@](C)(O)CC(=O)N(C)C[C@H](O)CNC(=O)c1cccnc1 1756660264 DBYSBRCWDPJNOH-CZUORRHYSA-N 321.377 -0.042 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H](O)CN(C)C(=O)c1ncccn1 1756676552 JMIVEONKDSPUGU-NEPJUHHUSA-N 320.349 -0.936 30 20 DBED C#CCOCCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@]23CCC[C@@H]2C3)C1 1757022631 WMLAFHSCPRRAQJ-VMUDFCTBSA-N 320.389 -0.096 30 20 DBED C=CC(C)(C)CC(=O)N[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1O 1757177792 OJRRULUEUYDOEF-ZJUUUORDSA-N 307.354 -0.292 30 20 DBED CC#CCCCC(=O)N1C[C@H](O)[C@H](NC(=O)c2[nH]nnc2C)C1 1757197207 FEQUVIIRJVHKFL-NEPJUHHUSA-N 319.365 -0.392 30 20 DBED C=C[C@@](C)(O)CC(=O)N1C[C@H](O)[C@H](NC(=O)c2c[nH]nc2C)C1 1757198133 MHEWERQQKOTSMY-TYNCELHUSA-N 322.365 -0.653 30 20 DBED CC(C)C#CC(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CCNC2=O)C1 1757325953 ZNIPJRSAEZOLFE-FRRDWIJNSA-N 305.378 -0.207 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)c[nH]1 1798694508 BNJNPDWBRYKDPE-JJLQDPRZSA-N 312.329 -0.277 30 20 DBED CCNC(=O)CN1CCN(CC(=O)N[C@@](C)(C#N)C(C)C)CC1 29670318 KDIOZMQDHGIIBE-INIZCTEOSA-N 323.441 -0.205 30 20 DBED C#CCN(C)S(=O)(=O)c1cccc(S(=O)(=O)NC)c1 192949910 URHPDHDBOYZCOU-UHFFFAOYSA-N 302.377 -0.152 30 20 DBED CN(CC#N)C(=O)CCC(=O)N1CCN(c2ncccn2)CC1 268837995 YOTQBLDMKGBTRV-UHFFFAOYSA-N 316.365 -0.113 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)NCc1cnc(N(C)C)n1C 282720688 RQLUVHZZORSGOU-JTQLQIEISA-N 314.415 -0.088 30 20 DBED CC#CCN(C)C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 294677028 VTPKDGAODXNXOW-UHFFFAOYSA-N 300.318 -0.273 30 20 DBED COC(=O)CNC(=O)CSc1nc(N)c(C#N)cc1C#N 298813044 WYUROYLCUMEPPK-UHFFFAOYSA-N 305.319 -0.212 30 20 DBED C#CCN(C)CCCNS(=O)(=O)N1CCC(C(=O)O)CC1 327979825 ILMMDIXOYSCLBU-UHFFFAOYSA-N 317.411 -0.428 30 20 DBED CN1CCO[C@H](/C(O)=N/CCS(=O)(=O)NCC2CCC2)C1 329807626 OTLXJSTWENNWEQ-LBPRGKRZSA-N 319.427 -0.007 30 20 DBED CNS(=O)(=O)c1cccc(S(=O)(=O)N[C@H](C)C#N)c1 330440393 DBGBREXVTLHMOT-MRVPVSSYSA-N 303.365 -0.215 30 20 DBED CC1(C)CN(CCN/C(O)=N/CCNS(C)(=O)=O)CCO1 330445485 UIWUROSDSYTPEM-UHFFFAOYSA-N 322.431 -0.850 30 20 DBED CNS(=O)(=O)c1cc(/C(O)=N/C[C@@H]2COCCO2)co1 330452373 KSIOOJNLBQSZHZ-SECBINFHSA-N 304.324 -0.092 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@]2(C)CCC(=O)NC2)CC1 330958335 WQBHSJGABQMNGK-MRXNPFEDSA-N 322.409 -0.651 30 20 DBED Cn1c(N2CCO[C@@H](C3CCC3)C2)c(C#N)c(=O)n(C)c1=O 334121716 LTSJXQOTJIIRGJ-GFCCVEGCSA-N 304.350 -0.039 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)NCc1cc(C(N)=O)no1 336886402 GEJJLNCHXVRGSQ-ZETCQYMHSA-N 301.328 -0.801 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)NC(C)(C)CS(C)(=O)=O 336954745 XWHGKPPZEPCVSK-VIFPVBQESA-N 311.429 -0.265 30 20 DBED CN(CCC#N)S(=O)(=O)N[C@@H](C1CC1)[C@@]1(CO)CCCO1 339145957 YWCUZPBROGUCAZ-STQMWFEESA-N 317.411 -0.014 30 20 DBED Cc1n[nH]cc1-c1nnc(NC(=O)NCC(=O)NCC#N)s1 351541960 ZVIPZCHYVWCUDU-UHFFFAOYSA-N 320.338 -0.002 30 20 DBED CN(C)S(=O)(=O)CC(=O)NCC(=O)c1ccc(C#N)cc1 356185062 MROUYKPMBCTVTA-UHFFFAOYSA-N 309.347 -0.251 30 20 DBED C=CCCOCCNC(=O)N1CC[C@H](S(=O)(=O)NC)C1 362725180 NIKWAYQGDPKLCS-NSHDSACASA-N 305.400 -0.088 30 20 DBED CCN(CCC#N)C(=O)CN1CCC[C@H](S(N)(=O)=O)C1 368212267 MFCYOWZTPITOKC-NSHDSACASA-N 302.400 -0.499 30 20 DBED COC(=O)[C@H]1C[C@@H](OC)CN1CC(=O)N(CCC#N)CCC#N 371660615 RMJZMGLBLBLPRA-CHWSQXEVSA-N 322.365 -0.095 30 20 DBED C=C(C)CNC(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1 427043389 HRMRJGVWGGEWRW-UHFFFAOYSA-N 321.381 -0.154 30 20 DBED CCOCCS(=O)(=O)NCC(=O)N[C@@]1(C#N)CC1(C)C 427890076 IQQFEPYJUGMWAV-GFCCVEGCSA-N 303.384 -0.249 30 20 DBED CNC(=O)[C@@H](CO)NS(=O)(=O)c1c(F)cc(C#N)cc1F 440083091 XDWFPRYDELVDPA-SECBINFHSA-N 319.289 -0.778 30 20 DBED COC(=O)[C@H]1CNC(=O)CN1CCOc1cccc(C#N)c1 447906668 YBFDDRXJKNODOH-CYBMUJFWSA-N 303.318 -0.090 30 20 DBED C=CCN(CCC#N)S(=O)(=O)CCNS(=O)(=O)CC 490087856 IDOBSXHLRTWENK-UHFFFAOYSA-N 309.413 -0.343 30 20 DBED C#CCN1CCN(C(=O)CN2CCN(C(C)C)C(=O)C2)CC1 491700827 WBWVZSWRNSZSLQ-UHFFFAOYSA-N 306.410 -0.684 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N1CCC2(CC1)COC(=O)N2 495249883 GATZYJFCAOLXMM-SNVBAGLBSA-N 310.354 -0.039 30 20 DBED Cn1c(O)ncc(C(=O)NCC2CCN(CC#N)CC2)c1=O 531538141 QFFXVQYSHUCCMK-UHFFFAOYSA-N 305.338 -0.549 30 20 DBED COC(=O)Cn1cc(CNC(=O)c2ncc(C#N)cc2C)nn1 551900445 YNYHASXLPRQHKT-UHFFFAOYSA-N 314.305 -0.044 30 20 DBED N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2cc[nH]n2)cc1 574441515 SBDMDGGRUCIIIA-UHFFFAOYSA-N 319.346 -0.124 30 20 DBED CC1CCN(C[C@@H](O)CNC[C@@H](O)CN(C)CCC#N)CC1 583564855 IAOUWSDWVYNASX-CVEARBPZSA-N 312.458 -0.125 30 20 DBED CN1C(=O)C(=O)N(CC(=O)NCCc2ccc(C#N)cc2)C1=O 597891134 KFRJDCBWWBMXJP-UHFFFAOYSA-N 314.301 -0.362 30 20 DBED CC(C)C[C@H](C#N)NC(=O)CNS(=O)(=O)c1cn(C)cn1 610677196 YSLRFYQQUVNBRJ-SNVBAGLBSA-N 313.383 -0.247 30 20 DBED C[C@H](C(=O)N(C)CCC#N)N(C)CC(=O)N1CCN(C)CC1 611522461 AUXQKSIURMDTPS-CYBMUJFWSA-N 309.414 -0.547 30 20 DBED CCS(=O)(=O)NCCS(=O)(=O)N1CC[C@](F)(C#N)C1 615544988 JXHIORUVCJYSJD-VIFPVBQESA-N 313.376 -0.807 30 20 DBED C[C@@H]1C(=O)NCCN1C(=O)NCCNc1ccc(C#N)cn1 730116302 RBCGIAIPEOJLJT-SNVBAGLBSA-N 302.338 -0.105 30 20 DBED C[C@@H](CO)NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 771788902 XLDSKKJOBSBNDR-VIFPVBQESA-N 311.363 -0.388 30 20 DBED C#C[C@H](NC(=O)N(C)CC(=O)N1CCOCC1)[C@@H]1CCCO1 776226898 HRSMNSWQTRDLEC-STQMWFEESA-N 309.366 -0.333 30 20 DBED C=CCS(=O)(=O)CCNC(=O)[C@H]1CC(=O)N(C2CC2)C1 783546360 LSEVNTWWZJJXPW-JTQLQIEISA-N 300.380 -0.286 30 20 DBED C[C@@H](NS(C)(=O)=O)C(=O)OCC(=O)NC1(C#N)CCC1 784247615 VUNMMIUULMBOAF-MRVPVSSYSA-N 303.340 -0.970 30 20 DBED COC[C@H](C#N)OC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C 785141503 TWALRHKQBWRDPQ-VIFPVBQESA-N 318.289 -0.672 30 20 DBED C#CCC[C@@H](O)CNC(=O)c1cc(S(N)(=O)=O)c(C)o1 799083236 YFBFSSJMYYETPO-SECBINFHSA-N 300.336 -0.260 30 20 DBED C[C@H](NC(=O)COC(=O)c1cnccc1C#N)C(=O)N(C)C 805719056 OEDFMYJJZNXFQS-VIFPVBQESA-N 304.306 -0.297 30 20 DBED C#C[C@H](NC(=O)C(=O)N(C)C[C@H](O)C(F)(F)F)[C@@H]1CCCO1 809312674 NSALTUBFPTURTD-GUBZILKMSA-N 322.283 -0.335 30 20 DBED C#CC[C@H](CO)NC(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O 816669537 UNGTYPCRMMZKPJ-OZVIIMIRSA-N 321.377 -0.013 30 20 DBED C=CCCn1cc(C(=O)NS(=O)(=O)C[C@@H]2CCOC2)nn1 820406027 NFIWAKCDFLNSIE-SNVBAGLBSA-N 314.367 -0.050 30 20 DBED N#Cc1c(-c2nn[nH]n2)nc(N)n1CCOC[C@@H]1CCCO1 822815652 VLGROHZIWIOYCE-QMMMGPOBSA-N 304.314 -0.287 30 20 DBED C#CCCCNC(=O)C(=O)N1CCC(N2CCOC2=O)CC1 828391220 IZJAAAMXXDCRIT-UHFFFAOYSA-N 307.350 -0.041 30 20 DBED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(F)cc1C(=O)O 833377455 XVUGXAZSZOLAIT-UHFFFAOYSA-N 323.280 -0.119 30 20 DBED C=CC(C)(C)C(=O)OCC(=O)c1c(N)n(C)c(=O)n(C)c1=O 837863227 IWQSSEHXWXIUMN-UHFFFAOYSA-N 309.322 -0.396 30 20 DBED Cc1nn(CC(=O)OCC(=O)N(C)C(C)(C)C#N)c(=O)n1C 848846552 WWCCECFYMSJQSR-UHFFFAOYSA-N 309.326 -0.806 30 20 DBED C#CC[C@H](CO)NC(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1 854546521 HPBUHEBHUMKFGI-SKDRFNHKSA-N 309.347 -0.783 30 20 DBED COc1cc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)[nH]n1 861743534 APGANPUHABTDFJ-JTQLQIEISA-N 318.337 -0.444 30 20 DBED C#CC[C@@H](CO)NS(=O)(=O)c1cnc2c(c1)c(C)nn2C 882342451 ALBKMJYREAFYAM-JTQLQIEISA-N 308.363 -0.061 30 20 DBED C#CCCN1CCC(NC(=O)[C@H]2CN(C(C)=O)CCO2)CC1 933352266 NOJORFRGZDBTGP-OAHLLOKOSA-N 307.394 -0.162 30 20 DBED O=C(N[C@H]1CCN(C(=O)C#CC2CC2)C1)c1nnc(O)nc1O 938350286 RTEQIEJDSGCJLF-VIFPVBQESA-N 317.305 -0.973 30 20 DBED C[C@H]1CN(C(=O)C#CC2CC2)CC[C@H]1NC(=O)c1nnn(C)n1 945311521 JEPAMJLKNVAZKB-CMPLNLGQSA-N 316.365 -0.410 30 20 DBED C#Cc1cncc(C(=O)N[C@H]2CCN(C(=O)C(N)=O)C[C@H]2C)c1 945490296 MCJDXOJOTBPZBE-MFKMUULPSA-N 314.345 -0.485 30 20 DBED C[C@H](C#N)C(=O)N1CCC(O)(CN[C@H]2CCN(C)C2=O)CC1 946919087 XUJAQIXNUIMHGU-NEPJUHHUSA-N 308.382 -0.680 30 20 DBED CC#CCN1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C[C@@H]1C 947323255 JGFVIQQZZTZGRQ-RYUDHWBXSA-N 318.381 -0.631 30 20 DBED C#CCCN1CCC[C@H](N(C)C(=O)CN2CCNC(=O)C2)CC1 948674456 YAPLNIQHIXVUAU-HNNXBMFYSA-N 320.437 -0.246 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]1CNC(=O)c1cccn2nnnc12 950162969 PGQZDFJXRVKVMW-UWVGGRQHSA-N 313.321 -0.385 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]1CNC(=O)c1cn(C)ccc1=O 951324251 UTZAFZUQRYHZCL-WDEREUQCSA-N 302.334 -0.124 30 20 DBED C=CCn1cc(C(=O)N2CCN([C@@H]3CCNC3=O)CC2)nn1 951559562 CGTUGOHWWAFHJJ-GFCCVEGCSA-N 304.354 -0.890 30 20 DBED N#Cc1c[nH]c(C(=O)N2C[C@@H]3CCC[C@H](C2)N3C(=O)C(N)=O)c1 952691015 WCTJOXBJZRDVCS-PHIMTYICSA-N 315.333 -0.423 30 20 DBED C#Cc1ccc(C(=O)N2CC(N(C)C(=O)Cn3cncn3)C2)cn1 955377556 JUTJFXATYFFMSY-UHFFFAOYSA-N 324.344 -0.363 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CN(C(=O)c3cn[nH]c3)C[C@@H]2O)c1 962136188 BZJYFMHUCCIMRB-NEPJUHHUSA-N 314.305 -0.775 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1cnnn1 962792877 YDASWCPBGWBTBT-IJLUTSLNSA-N 317.353 -0.575 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)c1nccnc1N 964137755 SAUQQHUJXSEBIZ-VHSXEESVSA-N 318.337 -0.824 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(C[C@@H](NC(=O)Cc3ncc[nH]3)CO2)C1 965785483 LVYLDRQPPCYAGZ-WDEREUQCSA-N 317.349 -0.402 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)Cn1nccn1 966414685 SBOBCAQNICTFNR-DGCLKSJQSA-N 301.350 -0.345 30 20 DBED C#CCN1CC[C@H](C)[C@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)C1 968509634 MPLRYGNLFYMIQT-NWDGAFQWSA-N 320.393 -0.223 30 20 DBED C[C@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)[C@@H]1COC(=O)N1)C2 969806019 PSEONFRTIXZSOR-RCWTZXSCSA-N 306.322 -0.544 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)[C@H]3CCCC(=O)N3)C2)C1 972425563 OVXWNTYZFNAXCQ-CZUORRHYSA-N 305.378 -0.408 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)c3cccc(=O)n3C)C2)C1 972546638 QZEOMARBRMTBJJ-QGZVFWFLSA-N 315.373 -0.065 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)Cc3nc[nH]n3)C2)[nH]1 973180450 CLNBPILHDXTKFA-MGCOHNPYSA-N 313.321 -0.376 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H](CNC(=O)c2c[nH]c(=O)cn2)C1 975494470 DCMCNOJLZZEGIB-WDEREUQCSA-N 317.349 -0.102 30 20 DBED C=CCN1C[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C(C)(C)C1 977600858 HGRSJQAQIOBUGH-MNOVXSKESA-N 301.412 -0.309 30 20 DBED N#CCN1C[C@@H]2CC[C@H](NC(=O)C3CC(=O)NC(=O)C3)C[C@H]2C1 980181609 FUJUMFXHVZQXHK-DRZSPHRISA-N 318.377 -0.221 30 20 DBED CN(Cc1nc(=O)n(C)[nH]1)C1CCN(C(=O)C#CC2CC2)CC1 985428522 IEFUMZGRCFXEBJ-UHFFFAOYSA-N 317.393 -0.055 30 20 DBED Cc1c(C(=O)NC2CN(C(=O)c3cc(C#N)c[nH]3)C2)nnn1C 990597059 NSKLUVIQTUZEDN-UHFFFAOYSA-N 313.321 -0.422 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC(NC(=O)CC3OCCCO3)C2)c1 991008906 WAIFCWXYUUDIGS-UHFFFAOYSA-N 318.333 -0.020 30 20 DBED C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)CC(N)=O)C[C@@H]2O)C1 991756425 YZAROJQLPBUMGM-QWRGUYRKSA-N 309.366 -0.704 30 20 DBED CCN1CCO[C@H](C(=O)NC2CN(C(=O)C#CC3CC3)C2)C1 992611408 VGCOKHLESFFTHQ-AWEZNQCLSA-N 305.378 -0.553 30 20 DBED C#CCN[C@@H]1CCC[C@H]2CN(C(=O)C3CS(=O)(=O)C3)C[C@@H]21 992707271 HCLIZARFVBBXHT-FPMFFAJLSA-N 310.419 -0.119 30 20 DBED C#CCN1CCC[C@@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)[C@H]1C 994178005 YLGGAHMQAILFQL-VXGBXAGGSA-N 320.393 -0.081 30 20 DBED CCC(=O)N1CC[C@@H](C(=O)NC2CN(C(=O)[C@@H](C)C#N)C2)C1 999685207 JNIGBNNFUAXCHB-WDEREUQCSA-N 306.366 -0.268 30 20 DBED Cn1ncc(C(=O)NCc2cn([C@H]3CCN(CC#N)C3)nn2)n1 1000028720 KQKWNSRIPMSVSQ-NSHDSACASA-N 315.341 -0.893 30 20 DBED C#CCN1CCC(C(=O)N2CCC[C@H](N[C@H](C)C(N)=O)C2)CC1 1000991109 GHWOAZDDGJBJAU-HIFRSBDPSA-N 320.437 -0.214 30 20 DBED COCCn1ccc(C(=O)NCC2CN(C(=O)[C@H](C)C#N)C2)n1 1003416080 LKRVBKLXZKTAAJ-LLVKDONJSA-N 319.365 -0.123 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)C1CCN([C@H](C)C(N)=O)CC1 1005519100 SXPLHTPDLBFFIP-HIFRSBDPSA-N 320.437 -0.119 30 20 DBED CN1CCN(CC(=O)N(C)C2CCN(CC#N)CC2)CC1=O 1005629971 VLDYQYWSBIWLBZ-UHFFFAOYSA-N 307.398 -0.793 30 20 DBED C=CCN1CCC[C@H](NC(=O)Cn2ncn3nccc3c2=O)C1 1008739758 VTWZPGUYHCFGHA-LBPRGKRZSA-N 316.365 -0.342 30 20 DBED C[C@H](C#N)C(=O)N1CCCC2(CN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 1010756535 NBDCOARZDCFJHS-NEPJUHHUSA-N 318.377 -0.124 30 20 DBED COc1cc(C(=O)NC2[C@@H]3CN(C(=O)[C@H](C)C#N)C[C@@H]23)nn1C 1013489842 SCTOSFAWXBJPEL-OPRDCNLKSA-N 317.349 -0.225 30 20 DBED C#CCN1CCC(C(=O)N[C@@H]2CCN([C@H]3CCNC3=O)C2)CC1 1016336912 OKNWKXHSUNUUEB-CABCVRRESA-N 318.421 -0.589 30 20 DBED COCC(=O)N1CC[C@@H]2OCCN(C(=O)C#CC3CC3)[C@H]2C1 1019832070 AQXVJCZLBREVRI-KBPBESRZSA-N 306.362 -0.126 30 20 DBED COCC(=O)N1CCO[C@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21 1019879633 MHGNTZJJJLYTPC-KBPBESRZSA-N 306.362 -0.126 30 20 DBED C=CCN1[C@H]2CC[C@H]1CC(NC(=O)Cn1c(O)nnc1O)C2 1021447171 BQIICIFBJGFIAL-QWRGUYRKSA-N 307.354 -0.013 30 20 DBED C#CCN1CCCC[C@@H]1CNC(=O)c1cc(=O)n2[nH]cnc2n1 1024759837 LIQURPOONVUSIR-LLVKDONJSA-N 314.349 -0.365 30 20 DBED C=CCN1CC[C@H](N(C)[C@H]2CCCN(C(=O)C(N)=O)C2)C1=O 1027551866 DHPMSHHGRLNVQC-RYUDHWBXSA-N 308.382 -0.819 30 20 DBED C#CCCN1CCC[C@@H]1CNC(=O)C1CC2(C1)NC(=O)NC2=O 1028197020 VRRATKMXURTDKU-BWBHSNQOSA-N 318.377 -0.422 30 20 DBED C#CCN1[C@H]2CC[C@H]1CN(C(=O)[C@@H]1CC(=O)N(CCOC)C1)C2 1029328840 ISIVXPNIJVRHFK-ILXRZTDVSA-N 319.405 -0.210 30 20 DBED C#Cc1ccc(C(=O)NC2CN([C@H]3CCC(=O)NC3=O)C2)cc1 1030776770 YIMNJAPOTVJDPI-AWEZNQCLSA-N 311.341 -0.113 30 20 DBED C=C(C)CN1CC[C@@H](N(C)C(=O)Cn2cnc(C(N)=O)n2)C1 1033097478 ZFIDNEPAELYDKB-LLVKDONJSA-N 306.370 -0.514 30 20 DBED C#CCN1CC[C@H](N(C)C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1 1033423083 UVWCNESKLIURGS-MELADBBJSA-N 307.394 -0.212 30 20 DBED CCN(C(=O)c1cn(C)c(=O)nc1O)[C@@H]1CCN(CC#N)C1 1034038859 XGSQXWUDUXOXCU-SNVBAGLBSA-N 305.338 -0.454 30 20 DBED C#CCN[C@@H]1CCN(C(=O)CN2C(=O)CN(C)C2=O)C[C@@H]1CC 1037982718 BVCUTTNXTDRUOG-QWHCGFSZSA-N 320.393 -0.270 30 20 DBED CCn1ncc(C(=O)NC[C@@]2(O)CCN(C(=O)[C@H](C)C#N)C2)n1 1039630860 CGRPKGWSPJUPEH-YGRLFVJLSA-N 320.353 -0.849 30 20 DBED CC(C)C#CC(=O)NC[C@]1(O)CCN(C(=O)Cn2nccn2)C1 1039665527 NHNGFHYJTSPIAL-OAHLLOKOSA-N 319.365 -0.983 30 20 DBED Cc1[nH]nc(C(=O)N2CC[C@](O)(CNC(=O)[C@@H](C)C#N)C2)c1O 1040759971 FCSHGZPMLCWPRI-RTHLEPHNSA-N 321.337 -0.723 30 20 DBED C[C@@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)c2n[nH]cc2F)C1 1040762153 ZPVQWSXDTSCDEO-ISVAXAHUSA-N 309.301 -0.598 30 20 DBED N#Cc1cncc(N2C[C@@H](O)[C@H](NC(=O)c3cnco3)C2)n1 1041267375 MKLFVDAWTOZHJK-NXEZZACHSA-N 300.278 -0.684 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)CCCC(C)=O)C1 1041450612 QMWKTJVJKKMQES-CYBMUJFWSA-N 324.377 -0.527 30 20 DBED CC(C)(C)C#CC(=O)NCC1(O)CN(C(=O)CCCC(N)=O)C1 1042970821 YRAOFGCWMOEZOZ-UHFFFAOYSA-N 323.393 -0.619 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 1043669779 AVCHSWDZPHJIGL-HBNTYKKESA-N 317.349 -0.638 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)c3csnn3)C2)nc1 1044355208 VQDDHUDOSWRTAG-KOLCDFICSA-N 316.346 -0.216 30 20 DBED N#Cc1ccc(N2CC[C@@H]3CCN(C(=O)CC(N)=O)C[C@@H]32)nn1 1044956506 IAHYEOBWYLXKNE-JQWIXIFHSA-N 314.349 -0.349 30 20 DBED Cc1ccc(CC(=O)N2CC(O)(CNC(=O)[C@@H](C)C#N)C2)o1 1045541417 WGXLHDAVRMEEPA-JTQLQIEISA-N 305.334 -0.020 30 20 DBED C#CCN1CCC(C(=O)N[C@@]2(C)CCN([C@H](C)C(N)=O)C2)CC1 1046850632 YYBBTTUMFZNKBK-DYVFJYSZSA-N 320.437 -0.214 30 20 DBED CC(C)CN1C[C@@H](C(=O)N(C)[C@H]2CN(CC#N)C[C@@H]2O)CC1=O 1047401626 ZSSHASILHRVEIV-IHRRRGAJSA-N 322.409 -0.482 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2nn3c(c2C)OCCC3)C1 1047405857 YLVHZHHMFACJJS-STQMWFEESA-N 318.377 -0.276 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CCC(=O)N2C)C1 1047481079 WEVQYRNKLBPCQJ-RDBSUJKOSA-N 307.394 -0.476 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H](CC)OC)C1 1048506377 PEOPLEYDFXCEJD-AVGNSLFASA-N 314.382 -0.356 30 20 DBED C#CCCCC(=O)N(C)[C@H]1CN(C(=O)c2ncn(C)n2)C[C@@H]1O 1048750177 MOMZJEUCAACJER-RYUDHWBXSA-N 319.365 -0.738 30 20 DBED CC(C)C#CC(=O)N(C)[C@H]1CN(C(=O)c2ncn(C)n2)C[C@@H]1O 1048810757 GTEHKFCVADJHHR-RYUDHWBXSA-N 319.365 -0.882 30 20 DBED CC#CCCCC(=O)N(C)[C@H]1CN(C(=O)CC(N)=O)C[C@@H]1O 1049246765 ZWEURNRWRZCVRP-RYUDHWBXSA-N 309.366 -0.915 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)c1ccnc2c1CC(=O)N2 1051004759 OMPNFYAGCWBSFF-NSHDSACASA-N 314.345 -0.360 30 20 DBED N#CCN1CCN([C@@H]2CCN(C(=O)c3cncnc3)C2)CC1 1052017730 SRWAOXMOPMTEQE-CQSZACIVSA-N 300.366 -0.168 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)[C@@H]1CCCC(=O)N1C)CCO2 1053520822 MRMDIEQVKVTELH-AWEZNQCLSA-N 319.405 -0.066 30 20 DBED COc1ccc(C(=O)NC[C@@H]2CCC3(CN(CC#N)C3)O2)nn1 1053683542 SOTANGSCDDPYSW-NSHDSACASA-N 317.349 -0.028 30 20 DBED C=CCN1CC2(C[C@@H](NC(=O)Cn3nc(C)n(C)c3=O)CO2)C1 1053996663 OXZPEXHDWPEXAI-GFCCVEGCSA-N 321.381 -0.964 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)[C@@H]3CCCC(=O)N3C)CO2)C1 1053997466 ORDLWRQTHRPPSC-STQMWFEESA-N 305.378 -0.410 30 20 DBED COCCOCC(=O)N1C[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2C1 1055254239 CNTVTFOVXQVZHF-RWMBFGLXSA-N 309.366 -0.274 30 20 DBED N#Cc1ccc(N2C[C@H]3C(NC(=O)[C@H]4COCCO4)[C@@H]3C2)cn1 1056135186 MXVHSPRWEBUEDF-MGPQQGTHSA-N 314.345 -0.081 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC[C@H]2[C@@H]1CCN2C(=O)CC(N)=O 1056403719 ZSAWXOLKNOXFDU-AGIUHOORSA-N 321.377 -0.508 30 20 DBED N#Cc1ccc(N[C@@H]2CCN(C(=O)C[C@@H]3CCNC3=O)C2)nn1 1056716363 MRNKLFVRYSPXEL-CMPLNLGQSA-N 314.349 -0.113 30 20 DBED C[C@H](C#N)C(=O)N1CCCN(c2ccc3nnnn3n2)CC1 1057108018 WEYQNMYBPMUHOL-SNVBAGLBSA-N 300.326 -0.282 30 20 DBED C#CCOCCC(=O)NCCN(CCO)C(=O)c1[nH]ccc1C 1057471734 BEBWTVXCJNZOCI-UHFFFAOYSA-N 321.377 -0.086 30 20 DBED Cc1ocnc1C(=O)NCCN(CCO)C(=O)C#CC1CC1 1057531123 FXASYOJWVZOYKK-UHFFFAOYSA-N 305.334 -0.053 30 20 DBED CNC(=O)CC(=O)NCCN(CCO)C(=O)C#CC(C)(C)C 1057538866 IEPFNGAMISQFST-UHFFFAOYSA-N 311.382 -0.891 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)[C@H]1CC12CCOCC2 1058067527 NASCNPAEDZSHQF-CHWSQXEVSA-N 323.393 -0.100 30 20 DBED CO[C@H](C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N)C1CCC1 1058660466 AXMOBNIRWTXUHC-AAEUAGOBSA-N 311.382 -0.102 30 20 DBED CN1C[C@@H](C(=O)N[C@H]2C[C@H](Nc3cnc(C#N)cn3)C2)NC1=O 1059364743 HFUPFJVVESILHV-QXEWZRGKSA-N 315.337 -0.569 30 20 DBED C=CCCOCC(=O)N1CC[C@H](CCNC(=O)CC(N)=O)C1 1059829048 IWXYWWILGMRMQA-LBPRGKRZSA-N 311.382 -0.191 30 20 DBED N#Cc1cncc(N2CCC[C@@H]2CNC(=O)[C@H]2CCNC2=O)n1 1061423838 VZNMYZCMNYNFEG-NEPJUHHUSA-N 314.349 -0.431 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCOC[C@H]1CNC(=O)c1cnon1 1061806438 ODYJDYCWQJEMPA-QMTHXVAHSA-N 324.337 -0.646 30 20 DBED O=C(Cn1cncn1)NC[C@@H]1COCCN1C(=O)C#CC1CC1 1061918125 WLMFCCLZGPFURF-CYBMUJFWSA-N 317.349 -0.965 30 20 DBED N#Cc1cnc(N2CC[C@@H]3CN(C(=O)C(N)=O)CC[C@@H]32)cn1 1064034479 WTUAVEASMHYYEW-KOLCDFICSA-N 300.322 -0.739 30 20 DBED Cc1cc(C#N)nc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)c2cnn[nH]2)n1 1064359985 UDSMXKUZPBCOOZ-ZHAHWJHGSA-N 310.321 -0.218 30 20 DBED Cc1n[nH]cc1C(=O)N1CCO[C@H](CNC(=O)[C@@H](C)C#N)C1 1065414430 ZTTBQSXFQKOJSC-GXSJLCMTSA-N 305.338 -0.165 30 20 DBED Cn1nncc1C(=O)N1C[C@H]2CC[C@H]1CN2c1ccnc(C#N)n1 1068040880 ZAUOALXPFSGYLC-MNOVXSKESA-N 324.348 -0.030 30 20 DBED N#Cc1nccnc1N1C[C@H]2CC[C@H]1CN2C(=O)Cc1nc[nH]n1 1068050525 HCOXEPWHUCNWTG-MNOVXSKESA-N 324.348 -0.111 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H]1COC2(C1)CN(C(=O)C1CC1)C2 1068868911 UOFWWXSJSGIJJI-WCQYABFASA-N 306.362 -0.079 30 20 DBED C[C@H]1C[C@@H](Nc2ccc(C#N)nn2)CN1C(=O)c1nnn(C)n1 1069178372 NLPQUWZBXIVSEM-WCBMZHEXSA-N 313.325 -0.413 30 20 DBED Cc1nc(C(=O)N[C@@H]2CN(CC#N)C[C@@H]2n2ccnn2)co1 1069911526 VGIBPRSUEFWXOL-PWSUYJOCSA-N 301.310 -0.247 30 20 DBED Cc1n[nH]cc1C(=O)N1C[C@H](n2ccnn2)[C@H](NCC#N)C1 1070247205 IPCCZNKMCJGAFF-NEPJUHHUSA-N 300.326 -0.512 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)Cc2cscn2)CC1 1071007113 GPGVAHLXNLAADL-UHFFFAOYSA-N 320.418 -0.031 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)[C@@]2(C)CCOC2)CC1 1071011366 BSBJMNXADCPEBY-INIZCTEOSA-N 307.394 -0.303 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 1071348921 XQOIAPRKOOLNDS-UPJWGTAASA-N 305.378 -0.126 30 20 DBED C=CCCn1cc(C(=O)N[C@H]2CC[C@H](C)N(CC(N)=O)C2)nn1 1071890837 SLCCHGUXPSHQEP-RYUDHWBXSA-N 320.397 -0.078 30 20 DBED C=CCOCC(=O)NCC1(O)CCN(C(=O)[C@H](C)OC)CC1 1074498581 BXZCFTMQAFUZOQ-LBPRGKRZSA-N 314.382 -0.306 30 20 DBED C[C@H](C#N)C(=O)N1CCC(O)(CNC(=O)CC(=O)N(C)C)CC1 1074707155 VOINNPOSIFSPNS-LLVKDONJSA-N 324.381 -0.906 30 20 DBED Cc1nc2ccnn2c(C)c1C(=O)N[C@@H]1CN(CC#N)C[C@H]1O 1077266118 YMEJNTANYGJXEF-VXGBXAGGSA-N 314.349 -0.355 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2cnc3c(c2)c(C)nn3C)C1 1077481742 DBLXGUSZYFVEFT-ZIAGYGMSSA-N 313.361 -0.315 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)C2(N3CCOCC3)CCCC2)C1 1077765241 FAUOLQIXKLOZQF-HUUCEWRRSA-N 323.437 -0.021 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CO)(NC(=O)c2cnn(C)n2)CC1 1080912926 NOFXROGANHDYPO-SNVBAGLBSA-N 320.353 -0.942 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2cnc(C)[nH]2)C[C@H]1O 1081346403 HVFKACIVGWIOIZ-DGCLKSJQSA-N 322.365 -0.530 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@H](CNC(=O)Cc2ccco2)C1 1081684894 MCGPQVSIDNAVFY-OCCSQVGLSA-N 322.361 -0.040 30 20 DBED C=CCOCCCC(=O)NC[C@@H]1CCCCN1C(=O)C(N)=O 1082262355 HWSQYYGKBHENFU-LBPRGKRZSA-N 311.382 -0.048 30 20 DBED Cn1cc(OCC(=O)N2CCO[C@@H]3CN(CC#N)C[C@@H]32)cn1 1083176906 XAPODKDOBBXGEC-QWHCGFSZSA-N 305.338 -0.766 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](NC(=O)[C@H]2CC(=O)N(CC)C2)C1 1083503230 KPPGPQURUNZXSE-MJBXVCDLSA-N 309.410 -0.018 30 20 DBED CC(C)CN1C[C@@H](C(=O)N[C@@H]2CN(CC#N)C[C@@H]2O)CC1=O 1083504062 NNQVPLFKYXWDFP-XQQFMLRXSA-N 308.382 -0.824 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCN(C(=O)CC)C2)C1 1083927110 ZOHFVCVGOMDWKL-MJBXVCDLSA-N 309.410 -0.018 30 20 DBED Cn1cc(C(=O)N[C@@H]2CCCC[C@H]2NCC#N)c(=O)n(C)c1=O 1085351584 PUPZMOUNPFGUJU-VXGBXAGGSA-N 319.365 -0.762 30 20 DBED CC#CCN1CC[C@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)[C@H]1C 1088895759 VTUDSZNIOPMOPR-MNOVXSKESA-N 320.349 -0.991 30 20 DBED N#CCN1CC[C@H](NC(=O)c2ccnc3[nH]nnc23)[C@H](O)C1 1090421735 ZGLCPZBNWXBGKV-VHSXEESVSA-N 301.310 -0.959 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2nccn3ccnc23)[C@H](O)C1 1090580548 KLIRJAYXLSCMHX-CHWSQXEVSA-N 313.361 -0.082 30 20 DBED C=C(C)CCN1CC[C@@H](NC(=O)CN2CC(=O)NC2=O)[C@@H](O)C1 1090654779 LKVADBMBMULNAP-NEPJUHHUSA-N 324.381 -0.944 30 20 DBED C=CCCN1CC[C@@H](NC(=O)C2CCN(C(N)=O)CC2)[C@@H](O)C1 1090793965 JDONOCYAFNNUSL-KGLIPLIRSA-N 324.425 -0.095 30 20 DBED CCCn1nc(C(=O)N[C@@H]2CCN(CC#N)C[C@H]2O)ccc1=O 1090797119 UIDWGVHDKQSASS-DGCLKSJQSA-N 319.365 -0.658 30 20 DBED Cc1sc(=O)n(CC(=O)N[C@@H]2CCN(CC#N)C[C@H]2O)c1C 1090829697 DTPXUVQXMQWJKR-VXGBXAGGSA-N 324.406 -0.398 30 20 DBED C=CCN1CC[C@H](NC(=O)c2ccc(C(N)=O)nc2)[C@H](O)C1 1090851071 YHBKIDKYBBGAML-WCQYABFASA-N 304.350 -0.469 30 20 DBED C=CCN1C[C@@H]2CN(C(=O)Cn3ccc(O)nc3=O)C[C@]2(C)C1 1091830249 QUOQIESBBOXUDY-WBMJQRKESA-N 318.377 -0.085 30 20 DBED CCc1nc(C#N)cc(N2CC[C@H](NC(=O)COC)[C@H](O)C2)n1 1092126452 MTWGVTWBFQZNAH-NWDGAFQWSA-N 319.365 -0.387 30 20 DBED C[C@H](NC(N)=O)C(=O)NCC1CC(Nc2cnc(C#N)cn2)C1 1092209355 BFNUPJSYXCLYOW-IDKOKCKLSA-N 317.353 -0.288 30 20 DBED N#Cc1cncc(N2C[C@@H]3C(NC(=O)CCc4nc[nH]n4)[C@H]3C2)n1 1093238654 FJEHUUHKBIPOAU-QWRGUYRKSA-N 324.348 -0.350 30 20 DBED N#Cc1cnc(NCCNC(=O)[C@@H]2CCCS(=O)(=O)C2)cn1 1093866641 HZLNKSKDUWNPEQ-SNVBAGLBSA-N 323.378 -0.299 30 20 DBED COCC(=O)N[C@H](C)C(=O)NCCN=c1cc(C)[nH]cc1C#N 1094185824 YJJKIBNBDKEUBF-LLVKDONJSA-N 319.365 -0.637 30 20 DBED C#CCN1CCN(C(=O)[C@@H]2C[C@@H]3C[C@@H]3C2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094654851 WGXIBRXYPZFBIA-VYDRJRHOSA-N 322.430 -0.025 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)C34CCN(CC3)C4)CC2=O)C1 1094805925 CRQLTOIPWCNDRD-CYBMUJFWSA-N 316.405 -0.883 30 20 DBED CC(=O)NCC(=O)NCC1CCN(c2ccnc(C#N)n2)CC1 1095334145 AVXHOKBJCYRPNL-UHFFFAOYSA-N 316.365 -0.183 30 20 DBED N#Cc1ccc(N2CCC(CNC(=O)CNC(N)=O)CC2)nc1 1095338519 BQMUXAYRMHMFEU-UHFFFAOYSA-N 316.365 -0.046 30 20 DBED CC(=O)N[C@@H](C)C(=O)NC1CCN(c2ccnc(C#N)n2)CC1 1095387922 XXHNTJDIJWJIGG-JTQLQIEISA-N 316.365 -0.042 30 20 DBED CN(CCCNC(=O)CNC(=O)C1CC1)c1ccnc(C#N)n1 1095475426 HFTBFLHLKYHWJI-UHFFFAOYSA-N 316.365 -0.183 30 20 DBED CN(CCCNC(=O)Cn1ncnn1)c1ncc(C#N)cc1F 1095645172 FOOSKJMBRXRVJI-UHFFFAOYSA-N 318.316 -0.278 30 20 DBED N#Cc1ccc(N[C@H](CNC(=O)[C@H]2CNC(=O)N2)C2CC2)cn1 1096801166 WMEHSRWZIGZQMQ-CHWSQXEVSA-N 314.349 -0.059 30 20 DBED N#Cc1nccnc1N[C@H]1CCN(C(=O)CNC(=O)C2CC2)C1 1096917052 CKEDUEDQDACJAO-NSHDSACASA-N 314.349 -0.113 30 20 DBED CC(=O)NCC(C)(C)C(=O)NC[C@@H](C)N=c1cc[nH]c(C#N)n1 1097941806 IMXMXWFGNMGGRP-SNVBAGLBSA-N 318.381 -0.151 30 20 DBED C#CCN(CCO)C1CCN(C(=O)[C@@H]2CC(=O)N[C@H](C)C2)CC1 1098415058 NWFGIJFZCDVHOG-KGLIPLIRSA-N 321.421 -0.180 30 20 DBED N#CCNCc1cn([C@@H]2CCN(C(=O)[C@H]3CCOC3)C2)nn1 1098633278 KUBSRVMMMDERFZ-WCQYABFASA-N 304.354 -0.299 30 20 DBED CC(=O)NC(C)(C)C(=O)NCC[C@H](C)N=c1cc[nH]c(C#N)n1 1099326569 QPINURFVMJUKMN-JTQLQIEISA-N 318.381 -0.008 30 20 DBED CNC(=O)NCC(=O)N1C[C@H]2CC[C@H]1[C@H]1CN(CC#N)C[C@@H]21 1099488405 IIIDMCXUSBTNTG-VOAKCMCISA-N 305.382 -0.392 30 20 DBED C[C@@H](CCNC(=O)Cn1nccn1)N=c1cc[nH]c(C#N)n1 1099536467 KXEGQZZECPFCAX-JTQLQIEISA-N 300.326 -0.631 30 20 DBED Cn1cncc1CN1CC[C@H](NC(=O)CSCC#N)[C@H](O)C1 1099690469 PBLJAZXQISPHKY-QWHCGFSZSA-N 323.422 -0.272 30 20 DBED Cc1nc(CN2CC[C@@H](NC(=O)C#CC(C)C)[C@H](O)C2)n[nH]1 1099823252 AQNXAWJCZYWXAS-CHWSQXEVSA-N 305.382 -0.176 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)CCCC=C)[C@H](O)C1 1099973263 ANMWGVIXZBGCET-UONOGXRCSA-N 307.394 -0.357 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)c2cnn(C)n2)[C@H](O)C1 1100028716 BWHWOEKFQKMHRU-WCQYABFASA-N 309.370 -0.817 30 20 DBED C=CCCN1CC[C@H](NC(=O)CS(=O)(=O)CCC)[C@@H](O)C1 1100113565 BWZBOLHYMQRWMM-STQMWFEESA-N 318.439 -0.061 30 20 DBED C#CCOCCC(=O)NCC1CC(N[C@H]2CCN(C)C2=O)C1 1100322693 RBMUULGSWPRCBF-RUXDESIVSA-N 307.394 -0.259 30 20 DBED N#Cc1cncc(N2CCC[C@H]2CNC(=O)CNC(N)=O)n1 1100779225 DDBKQFBZCXIHLE-JTQLQIEISA-N 303.326 -0.898 30 20 DBED CN(CCNc1cnc(C#N)cn1)C(=O)C[C@H]1CCNC1=O 1101823112 OHGVFPKNQISYCM-SNVBAGLBSA-N 302.338 -0.255 30 20 DBED CCC(=O)NCC(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(C#N)cn1 1102539016 HEWZWLHQSDTTMI-RYUDHWBXSA-N 314.349 -0.336 30 20 DBED CCc1nc(C#N)cc(N[C@H](CC)CNC(=O)CNC(N)=O)n1 1102965894 MJQGRRUZSHKSJU-SECBINFHSA-N 319.369 -0.114 30 20 DBED CC(=O)NCC(=O)NC[C@H](C)CN=c1cc(C)[nH]cc1C#N 1103843738 KQGZALHJEFMBMX-SNVBAGLBSA-N 303.366 -0.016 30 20 DBED COCC(=O)NC[C@H]1CN(c2nc(C)cc(C#N)n2)CCO1 1104282168 SSDBFJTVSHSOBH-LBPRGKRZSA-N 305.338 -0.376 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CN(c2cnc(C#N)cn2)CCO1 1104301763 KLBBQHHVMAVDGY-PWSUYJOCSA-N 300.322 -0.171 30 20 DBED C[C@H](CNc1cncc(C#N)n1)N(C)C(=O)[C@H]1C[C@H]1C(N)=O 1104826602 AXJKPGNUYSYXEG-IEBDPFPHSA-N 302.338 -0.272 30 20 DBED CC(=O)NCC(=O)N1CC[C@H](N=c2cc[nH]c(C#N)n2)[C@H](C)C1 1105026828 XAPQENSDJDWSND-PWSUYJOCSA-N 316.365 -0.445 30 20 DBED CC(C)[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)N=c1cc[nH]c(C#N)n1 1105278061 UFJNFLDSHUVVMB-ZJUUUORDSA-N 317.353 -0.996 30 20 DBED C=CCO[C@H](C)C(=O)N1CC(n2cc(CNCCCO)nn2)C1 1105380782 FUDBHQLGRQWSSP-GFCCVEGCSA-N 323.397 -0.276 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)C2=COCCO2)nn1 1105715005 JVWMFIHNBFNLLO-SNVBAGLBSA-N 305.294 -0.875 30 20 DBED CO[C@H](C(=O)NC[C@@H](O)CNc1nccnc1C#N)C1CC1 1105833556 NSGDEYXUMZVUCE-JQWIXIFHSA-N 305.338 -0.338 30 20 DBED CN1CCC(C(=O)NC[C@H](O)CNc2cncc(C#N)n2)CC1 1105882182 DQZGBRSMCVWMKR-CYBMUJFWSA-N 318.381 -0.421 30 20 DBED C#Cc1cncc(C(=O)NC[C@H](O)CNc2cncc(C#N)n2)c1 1106100619 TXJGNFZGHXNECB-CQSZACIVSA-N 322.328 -0.073 30 20 DBED N#Cc1nccnc1NC[C@H](O)CNC(=O)CCc1cn[nH]c1 1106132123 SXLRXQSPWVPJIQ-LLVKDONJSA-N 315.337 -0.407 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@H]1C 1106673592 HYQSGEJAEZKKDA-KFWWJZLASA-N 322.453 -0.240 30 20 DBED C[C@@H](CC(=O)NC/C=C/CNc1cncc(C#N)n1)NC(N)=O 1107350022 CAZQSSYSVSHIQT-PBKGFPTLSA-N 317.353 -0.121 30 20 DBED C#CCCN1CCO[C@@](C)(CNC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 1108217389 QCJDGZBUVKBJHQ-VBQJREDUSA-N 321.421 -0.059 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)[C@@H](C)CCOC)CC2=O)C1 1108591442 YERFRFRNFFZPJO-QWHCGFSZSA-N 307.394 -0.307 30 20 DBED C[C@@H](CN(C)c1cncc(C#N)n1)NC(=O)c1ncn(C)n1 1108932575 BUIKIXQCZUDQKH-VIFPVBQESA-N 300.326 -0.269 30 20 DBED C[C@@H](CN(C)c1cncc(C#N)n1)NC(=O)CC(=O)N(C)C 1109264514 WESPWAAYIUCZPA-JTQLQIEISA-N 304.354 -0.233 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@]1(O)CCN(c2cc(C)ncn2)C1 1111097631 CWCBPJVDLZRSPU-CZUORRHYSA-N 318.377 -0.119 30 20 DBED CC(C)(O)CC(=O)N(CCO)CCNc1cncc(C#N)n1 1111458550 AEJMDDVHDQEXRM-UHFFFAOYSA-N 307.354 -0.258 30 20 DBED Cn1ncc(C(=O)N(CCO)CCNc2cncc(C#N)n2)n1 1111484955 SZLYTKISDQJUCH-UHFFFAOYSA-N 316.325 -0.977 30 20 DBED Cc1nn[nH]c1C(=O)N(CCO)CCNc1cncc(C#N)n1 1111535548 SLLZUTWBKXQRQB-UHFFFAOYSA-N 316.325 -0.679 30 20 DBED CCOCCC(=O)N1CCO[C@@H](CN=c2cc[nH]c(C#N)n2)C1 1111946782 KTHDGJUSKFHYGB-LBPRGKRZSA-N 319.365 -0.164 30 20 DBED CNC(=O)NCC(=O)N1C[C@H](C)[C@H](Nc2nccnc2C#N)C1 1112341017 XLGNFLUBPSIMDA-GXSJLCMTSA-N 317.353 -0.464 30 20 DBED C[C@H]1CN(c2ccnc(C#N)n2)CC[C@H]1NC(=O)CNC(N)=O 1112392844 MKSKAHPYYFKCAD-VHSXEESVSA-N 317.353 -0.652 30 20 DBED CC(C)(O)CC(=O)NC[C@H]1CN(c2cnc(C#N)cn2)C[C@H]1O 1112717521 KVKHCIKVTHLULK-CMPLNLGQSA-N 319.365 -0.577 30 20 DBED C[C@H](NC(=O)Cn1nccn1)[C@H](C)Nc1nccnc1C#N 1113173989 WYJXZZXUENCTFE-UWVGGRQHSA-N 300.326 -0.055 30 20 DBED Cc1cnc(C(=O)NC2[C@H]3CN(CC(=O)NCC#N)C[C@H]23)cn1 1113801464 ULUSHWZYZOQJMD-QWRGUYRKSA-N 314.349 -0.915 30 20 DBED C=CCOCCCC(=O)NC1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]12 1114107812 GEFZOTKTJHEMBC-CHWSQXEVSA-N 320.393 -0.345 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)[C@@H](CC)N(C)C)[C@H]2C1 1114460767 GYGGKULPTMPGOW-RWMBFGLXSA-N 308.426 -0.325 30 20 DBED C=CCN1C[C@@H]2C(NC(=O)C(C)(C)NS(C)(=O)=O)[C@H]2C1 1114943335 YBYCFXPRNBTJIS-UWVGGRQHSA-N 301.412 -0.453 30 20 DBED C#CCn1cc(CNC(=O)c2ccnc3c(C(N)=O)cnn23)cn1 1116853031 YAEDZNUBPCYQTO-UHFFFAOYSA-N 323.316 -0.412 30 20 DBED C[C@@H]1CC(=O)NCCN1C(=O)C(=O)NCC#Cc1ccccc1 1116987046 BJAQKTTYYLLPKM-CYBMUJFWSA-N 313.357 -0.109 30 20 DBED C[C@H](O)CN(C(=O)C(=O)N1CCC[C@@H](CC#N)C1)[C@H](C)CO 1118512237 AENOFOCAMFNNPW-AGIUHOORSA-N 311.382 -0.271 30 20 DBED C[C@H](O)[C@@H]1CCN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1 1118949825 BVLOMULBSXCPGO-OUCADQQQSA-N 320.393 -0.586 30 20 DBED COCC#CCN1CCC[C@@H]1[C@@H]1CCCN(C(=O)C(N)=O)C1 1120423487 VAANPYNFTPUNDF-ZIAGYGMSSA-N 307.394 -0.176 30 20 DBED C[C@@H](CN(C)C(=O)[C@@H]1CCN(C)C1=O)N=c1cc[nH]c(C#N)n1 1120485660 KDWGHPFUONIFPQ-WDEREUQCSA-N 316.365 -0.493 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)CCn2cccn2)nn1 1121072897 FHRWSUQOBFJFNU-GFCCVEGCSA-N 315.337 -0.476 30 20 DBED CN1CCC[C@@H]1C(=O)NC[C@@H](CO)Nc1ccc(C#N)cn1 1121240152 GBSLAKOXKHPJFF-QWHCGFSZSA-N 303.366 -0.064 30 20 DBED N#Cc1cccnc1N[C@@H](CO)CNC(=O)Cc1cc[nH]n1 1121400165 VBAGRMHYSOHXLC-GFCCVEGCSA-N 300.322 -0.192 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H](CO)Nc2ccc(C#N)nn2)nc1 1121846783 BMOAHASFQNCBMB-ZDUSSCGKSA-N 322.328 -0.073 30 20 DBED C#Cc1ccc(C(=O)NC[C@H](CO)Nc2cncc(C#N)n2)nc1 1121848446 YCYVNHXCLCPZBC-CYBMUJFWSA-N 322.328 -0.073 30 20 DBED C#CCN1CCN(c2nnc(-c3cnn[nH]3)n2CCOC)CC1 1122396738 NQVPMMKIGTWBIS-UHFFFAOYSA-N 316.369 -0.535 30 20 DBED Cc1c[nH]c(C(=O)NC[C@@H](CO)N=c2cc[nH]cc2C#N)n1 1122688264 PPOANHIUVKLGOK-NSHDSACASA-N 300.322 -0.391 30 20 DBED CN(C[C@@H](O)CNc1nccnc1C#N)C(=O)c1ccnnc1 1124754567 RAEQLCCRYNTVED-NSHDSACASA-N 313.321 -0.317 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)CN(CC)CC)C1 1129334243 XQRIZQMVIWBMKB-KGLIPLIRSA-N 304.398 -0.405 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)COCc1cc(C)on1 1130117873 DPLJHOKHNPPKJV-LBPRGKRZSA-N 324.381 -0.104 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(C)=O)C[C@H]1c1cn(C)cn1 1130474314 VMVRVGPJXMNRSR-CORIIIEPSA-N 317.393 -0.538 30 20 DBED Cn1cnn(CC(=O)NCCNCc2cccc(C#N)c2)c1=O 1130591229 YCOCEEZVEAQWCA-UHFFFAOYSA-N 314.349 -0.641 30 20 DBED C=CCN1C[C@H]2C[C@H]3CN(C(=O)[C@@H](C)CC(N)=O)C[C@@]3(C1)O2 1131252441 RWODPHUQPFNWFZ-BCUIYNNISA-N 307.394 -0.014 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1nnn(CC)c1CC 1133763312 QOLKOPUWJISMMB-NSHDSACASA-N 320.397 -0.682 30 20 DBED C[C@@H](OCc1ccccc1)C(=O)NCCNCC(=O)NCC#N 1134420292 QGXBTBWBRQJTHE-CYBMUJFWSA-N 318.377 -0.063 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NCCNCCOCCOC 1134816316 CFEAFRXYUOBPGE-AWEZNQCLSA-N 315.414 -0.174 30 20 DBED C=CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)c1cnn(C)n1 1135682328 HDQHZPVLPRLAHU-GHMZBOCLSA-N 308.386 -0.396 30 20 DBED C=CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)CCCC(N)=O 1146798373 QTJUSFWWLKAVAG-NWDGAFQWSA-N 312.414 -0.183 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)[C@@H]1C[C@H]1OCC)C2 1147056318 FHQPMUZNSDRZAD-ZIAGYGMSSA-N 319.405 -0.305 30 20 DBED C#CCNC(=O)CN1CCCO[C@H](CNC(=O)[C@@H]2CC2(C)C)C1 1149541044 FUTRNBJPZAYLOX-KGLIPLIRSA-N 321.421 -0.011 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1noc2c1COCC2 1151708215 XYGOPZLOHWXIQK-SNVBAGLBSA-N 320.349 -0.795 30 20 DBED C#CCN1CCC(C(=O)NCCN[C@@H](C)C(=O)NCCC)CC1 1152330480 OZZGSUDIXXYDKC-AWEZNQCLSA-N 322.453 -0.048 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1cc(C(N)=O)cs1 1152604147 VWNUQHJNQRHURD-VIFPVBQESA-N 322.390 -0.696 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)[C@H]1CN(C)CCO1 1156125092 HKHQBNPUYFOBLA-QWHCGFSZSA-N 312.414 -0.896 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)C[C@H]1CCNC1=O 1159809916 WKVLJZAXAPYQTF-NWDGAFQWSA-N 310.398 -0.701 30 20 DBED Cn1nnc(CNCC2(CCNC(=O)CSCC#N)CC2)n1 1163487696 TWEFBZSKLLDYCO-UHFFFAOYSA-N 323.426 -0.157 30 20 DBED N#CCNC(=O)CNCCCNC(=O)c1noc2c1CCCC2 1167274705 MISVLXCWDWGQTG-UHFFFAOYSA-N 319.365 -0.097 30 20 DBED N#CCNC(=O)CNCC1(CCNC(=O)c2ccnnc2)CC1 1167322854 KFEGQNUPBQOIAI-UHFFFAOYSA-N 316.365 -0.394 30 20 DBED N#CCNC(=O)CNCCCCCCNC(=O)c1cnccn1 1177798528 DLGAYJNWNUJMNQ-UHFFFAOYSA-N 318.381 -0.004 30 20 DBED C[C@H]1[C@@H](NCC#N)CCN1C(=O)CS(=O)(=O)NC(C)(C)C 1180156835 ILXRBYRVQNWGMP-QWRGUYRKSA-N 316.427 -0.193 30 20 DBED COCC#CCNC[C@]1(C)CN(C(=O)[C@H]2COC(=O)N2)C[C@H]1C 1181337159 SIQCQDYJWJKBBD-XJKCOSOUSA-N 323.393 -0.181 30 20 DBED N#CCNC(=O)CN[C@@H]1CCN(C(=O)CCc2cncnc2)C1 1184248758 WQONXJQDPHFRMD-CYBMUJFWSA-N 316.365 -0.761 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2cnc(O)n2C)C1 1184850304 ZFMNDMUFMZBKIB-GHMZBOCLSA-N 319.365 -0.932 30 20 DBED CCO[C@@H](C)C(=O)N1CC[C@H]2CN(CC(=O)NCC#N)C[C@H]21 1186958274 JVFUHLDAUFJGMC-RWMBFGLXSA-N 308.382 -0.416 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)Cc2ccsc2)C1 1190750626 LMEFQFXNCZUHQC-CHWSQXEVSA-N 321.402 -0.799 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)C(C)(C)N(C)CC)C1 1191019129 JMPHFIZSUYNRKC-CQSZACIVSA-N 322.453 -0.001 30 20 DBED Cn1cnnc1CN1C[C@@H](O)[C@H](NC(=O)C#CC(C)(C)C)C1 1192871908 ZLWGLLMRTGXOLZ-VXGBXAGGSA-N 305.382 -0.474 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)CCN2C(=O)CCC2=O)C1 1194508322 QOTADUNPPFWNCX-VXGBXAGGSA-N 309.366 -0.737 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)CNC(=O)CC)CC1 1195274413 FUCHFHVXFWBKJD-UHFFFAOYSA-N 310.398 -0.651 30 20 DBED C[C@H](C(=O)N1CCCN(CC(=O)NCC#N)CC1)[C@@H]1CCCO1 1197076846 LWJHKAPPAQFQAM-KBPBESRZSA-N 322.409 -0.024 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)CS(=O)(=O)C(C)(C)C)C1 1197800045 WBFAKGVUTLXYHR-VXGBXAGGSA-N 318.439 -0.063 30 20 DBED C=CCCCNC1CCN(C(=O)CN2CCNC(=O)C2)CC1 1201950050 DAZXXBNNDCFBCU-UHFFFAOYSA-N 308.426 -0.035 30 20 DBED N#CCNC(=O)CN[C@@H]1C[C@H](NC(=O)c2cc[nH]n2)C12CCC2 1202472869 YQQYRGYYDUADNX-NEPJUHHUSA-N 316.365 -0.320 30 20 DBED CNC(=O)CC(=O)N[C@H]1C[C@H](NCC#CCOC)C12CCC2 1202805363 LGUHYWYLNAOIPT-STQMWFEESA-N 307.394 -0.211 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)[C@@H]1CCCN1C 1206586223 RZSWHPOUTSNUMN-UPJWGTAASA-N 307.398 -0.843 30 20 DBED CNC(=O)NC(=O)CN1C[C@@H](NC(=O)C#CC(C)C)[C@H](C)C1 1206939464 GFTZVWLUTUWZEO-VXGBXAGGSA-N 308.382 -0.462 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)[C@@]23COC[C@@H]2C3)C1 1208083419 DPSDAXSMWWANRW-XEZPLFJOSA-N 305.378 -0.647 30 20 DBED COCC#CCN1C[C@@H](NC(=O)[C@H]2CCN(C)C2=O)[C@H](C)C1 1208368283 KNXKFWYAWMWQMQ-MGPQQGTHSA-N 307.394 -0.449 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)[C@]2(C)CCC(=O)N2)C1 1209513341 NLWAISWMVGCJIZ-LRDDRELGSA-N 322.409 -0.462 30 20 DBED C#CCCN[C@H]1CCCN(C(=O)C2CC3(C2)NC(=O)NC3=O)C1 1210060166 CGZJHVHVEBZFKL-BGMSHATGSA-N 318.377 -0.422 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)[C@@H](C)CCOC)C1 1211159672 JXKYBFJVSFWJSJ-KBPBESRZSA-N 309.410 -0.011 30 20 DBED C=CCCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2nncn2C)C[C@@H]1O 1219322020 LOIZSYNMWPPSKX-XQQFMLRXSA-N 323.397 -0.542 30 20 DBED CC(C)c1noc(CCC(=O)N[C@@H]2CN(CC#N)C[C@@H]2O)n1 1220109212 GCLLVKNEUMZEEW-MNOVXSKESA-N 307.354 -0.190 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)C[C@H](C)OC)[C@@H]2C1 1221425880 BIYQWLIDLIXYDH-BFHYXJOUSA-N 307.394 -0.307 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC(CNC(=O)c2ncc[nH]2)CC1 1223097082 VFQICXZWMOIKKN-LBPRGKRZSA-N 317.393 -0.011 30 20 DBED COCC#CCN1CCC(NC(=O)[C@@H]2CCN(C)C2=O)CC1 1228717749 IKSFMRUHHZNSBC-AWEZNQCLSA-N 307.394 -0.305 30 20 DBED C=CCNC(=O)[C@H](C)N1CCC(NC(=O)Cc2nc[nH]n2)CC1 1229984802 BNELPKVGPKDAAJ-NSHDSACASA-N 320.397 -0.382 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC[C@@H]1CN(C)C(=O)CN(C)C(C)=O 1230829050 HQQXSXYNGUIQAO-TZMCWYRMSA-N 324.425 -0.312 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@@H]1CN(C)C(=O)c1ccnn1C 1231103055 NEIWEMFHIZCUAG-CHWSQXEVSA-N 317.393 -0.296 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@@H]1CN(C)C(=O)CC(=O)NCC 1233837076 LSRKVPFUAHSNES-QWHCGFSZSA-N 322.409 -0.817 30 20 DBED CNC(=O)[C@H]1CCC[C@@H]1NC(=O)C(=O)Nc1cccc(C#N)n1 1261460208 VNHUGHTZPLKNTG-QWRGUYRKSA-N 315.333 -0.077 30 20 DBED CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)C(=O)C#CCOC)C1 1261676699 RNNVYKUFJNRENQ-CYBMUJFWSA-N 324.377 -0.104 30 20 DBED CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCO[C@H](C#N)C1 1322759301 YFVDOMSLAOGXIC-QWHCGFSZSA-N 308.382 -0.272 30 20 DBED C[C@@H](CO)NC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 1325889755 UQSMBMJHWXNVGD-VIFPVBQESA-N 314.305 -0.426 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N2CCOC[C@@H]2C2CCC2)CCO1 1326242030 UKZKVCQESGTETE-CHWSQXEVSA-N 307.350 -0.235 30 20 DBED CC#CC[C@@H](CO)NC(=O)c1cn(Cc2noc(C)n2)nn1 1326357212 SWRGBJVZWBXKOP-JTQLQIEISA-N 304.310 -0.478 30 20 DBED N#C[C@]1(F)CCN(C(=O)C(=O)N2CCN([C@@H]3CCOC3)CC2)C1 1327353740 PZQAVJGDXRZYAJ-IUODEOHRSA-N 324.356 -0.616 30 20 DBED N#CC1CCN(C(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)CC1 1329698602 PWDOPUKFHDNNSC-RFHZTLPTSA-N 317.345 -0.089 30 20 DBED C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CO1 1330427159 VSRZEJTUWCXXJR-WZRBSPASSA-N 306.366 -0.521 30 20 DBED N#CCCN1CCN(C(=O)C(=O)NCCC[C@H]2CCOC2)CC1 1330781765 XIHOPYPXMKZFHU-AWEZNQCLSA-N 322.409 -0.023 30 20 DBED COC(=O)C(C)(C)n1cc(NC(=O)C(=O)NCCC#N)cn1 1333321452 MPXMJWHIUACIKR-UHFFFAOYSA-N 307.310 -0.240 30 20 DBED C=CCOCCn1nnnc1N1CCN(C(=O)COC)CC1 1337241360 GUFPSRPKRFCMCY-UHFFFAOYSA-N 310.358 -0.829 30 20 DBED CC#CC(=O)N1CCC(C(=O)OCC)(S(C)(=O)=O)CC1 1341851326 YTNIMFLZMMKTQE-UHFFFAOYSA-N 301.364 -0.021 30 20 DBED C#CCSCCNC(=O)C(=O)N1CCN(C(=O)OC)CC1 1342539365 FERSYBSRHUPDNE-UHFFFAOYSA-N 313.379 -0.620 30 20 DBED CC#CCn1nnnc1N1CCC[C@@H](n2cc(CO)nn2)C1 1355790003 PUSRWTCYOAIJJR-GFCCVEGCSA-N 302.342 -0.378 30 20 DBED CCN1CC[C@@H](CNC(=O)Cn2cc(C#N)c(O)nc2=O)C1 1361953924 SPMNDDDSYUDKLK-JTQLQIEISA-N 305.338 -0.721 30 20 DBED CN(C)C(=O)CC1CCN(C(=O)Cn2cnc(C#N)n2)CC1 1362324615 VIGABMRNWGIKSE-UHFFFAOYSA-N 304.354 -0.133 30 20 DBED N#Cc1cnn2c(O)cc(CN3CCCN(C(N)=O)CC3)nc12 1363775458 BFNSLKRMCSCYQU-UHFFFAOYSA-N 315.337 -0.107 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)NC[C@H]1CCN(C(N)=O)C1 1364909348 VAGMZPCSUTXAFE-VHSXEESVSA-N 303.388 -0.687 30 20 DBED C[C@@H](CNCc1nnn(C)n1)CNC(=O)c1cc(C#N)c[nH]1 1378551889 CFAHKTCERBFAHD-VIFPVBQESA-N 302.342 -0.434 30 20 DBED C=C(Cl)CN(C)[C@H](C)CNC(=O)CN1CCN(C)C(=O)C1 1381545967 XAOZEBKVIAFHQB-GFCCVEGCSA-N 316.833 -0.051 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)CCNC(N)=O)[C@@H]2C1 1384274360 GEVMYYYXOPLLCJ-GMTAPVOTSA-N 307.354 -0.736 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1C[C@@H](NC(=O)CO[C@@H]2CCOC2)C1 1384551261 YTWVGTYRBXMVGM-FVCCEPFGSA-N 309.366 -0.037 30 20 DBED C[C@H](CNC(=O)[C@@H]1CCNC(=O)C1)NC(=O)c1cc(C#N)c[nH]1 1389163379 KUSWUXLTGPDGFS-MWLCHTKSSA-N 317.349 -0.353 30 20 DBED C[C@@H](CNC(=O)C1(S(C)(=O)=O)CCC1)NC(=O)[C@@H](C)C#N 1393043888 AZKMVOFNCXXOSJ-UWVGGRQHSA-N 315.395 -0.266 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@H](N[C@@H](C)C(=O)NC(=O)NC2CC2)C1 1398543849 ORTQGAALTNPFDF-QSFUFRPTSA-N 321.381 -0.240 30 20 DBED C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)Cn1cc(C#N)c(O)nc1=O 1417650664 QGXJTDUPDPMFSK-ZYHUDNBSSA-N 319.365 -0.381 30 20 DBED CC(C)Cn1ncnc1CN1CC(O)(CNC(=O)[C@@H](C)C#N)C1 1421421429 ZBNGCMUREMTOII-LBPRGKRZSA-N 320.397 -0.243 30 20 DBED CCS(=O)(=O)CC(=O)N1CC[C@H](NC(=O)[C@@H](C)C#N)C1 1429873738 OENSDPYIJZJPTP-UWVGGRQHSA-N 301.368 -0.702 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCN(C)C(=O)CN(C)C(=O)C1CC1 1431399768 YPJPSPZNZURVHZ-NSHDSACASA-N 308.382 -0.069 30 20 DBED C[C@@H](CNC(=O)Cc1nc[nH]n1)NC(=O)c1c[nH]c(C#N)c1 1433530410 ZXQBEEUARAVQDW-QMMMGPOBSA-N 301.310 -0.518 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCN(C(=O)C3(NC(N)=O)CC3)C2)C1 1445224820 JQYMWMHEZFOLGS-JTQLQIEISA-N 319.365 -0.592 30 20 DBED CCS(=O)(=O)CC(=O)NC1CCN(C(=O)[C@@H](C)C#N)CC1 1453781322 RGSGPLSPSFWVJQ-JTQLQIEISA-N 315.395 -0.312 30 20 DBED Cc1c(C(=O)N2CCC[C@@H]2CNCC(=O)NCC#N)cnn1C 1483919648 JCQUZTIYMUFEJK-GFCCVEGCSA-N 318.381 -0.438 30 20 DBED C[C@@H](C#N)C(=O)NCCN1CCN(CC(=O)N2CCC2)CC1 1490485504 GUBACPDDNSZMFZ-ZDUSSCGKSA-N 307.398 -0.888 30 20 DBED CCCn1c(C)nnc1CNC[C@H](O)CNC(=O)[C@@H](C)C#N 1496954507 HLZIFWPTWUXLSY-JQWIXIFHSA-N 308.386 -0.277 30 20 DBED C=C(Cl)CN(C)[C@@H](C)CNC(=O)C[C@H](NC(C)=O)C(N)=O 1506015353 SYRCUNGLXWIWBP-ONGXEEELSA-N 318.805 -0.445 30 20 DBED CCCCS(=O)(=O)CC(=O)NC[C@@H](C)NC(=O)[C@H](C)C#N 1526671632 CDRVSCCZVDHFMB-GHMZBOCLSA-N 317.411 -0.018 30 20 DBED CCN(CCNC(=O)[C@@H](C)C#N)C(=O)[C@@H]1CCc2nncn2C1 1529069967 SUAUEJRERYIGGZ-NWDGAFQWSA-N 318.381 -0.035 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCN([C@H]2CCCN(C)C2=O)C1 1566662675 OAUJJHKMKKZDPA-KGLIPLIRSA-N 307.394 -0.162 30 20 DBED C[C@@H]1COCCN1CCNc1cnc(-c2nn[nH]n2)c(C#N)n1 1576378413 QWHPYIUURQTHDW-SECBINFHSA-N 315.341 -0.339 30 20 DBED CN1CC[C@](O)(CNc2cnc(C#N)c(-c3nn[nH]n3)n2)C1 1579349833 UGZNPGMOPKLOOB-LBPRGKRZSA-N 301.314 -0.993 30 20 DBED N#CCN1CCC(NC(=O)[C@@H]2CCCN(CCN)C2=O)CC1 1580052672 RDLSMWUAAMDXDQ-ZDUSSCGKSA-N 307.398 -0.712 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N[C@@H]1CC[C@H](C(=O)O)C1 1588390358 SEZYMZIJQOLNIW-QJPTWQEYSA-N 310.350 -0.100 30 20 DBED C#CCN(CC(=O)O)C(=O)CNC(=O)c1ccc2c(c1)OCO2 1588401986 IEASPMSCOYXTSG-UHFFFAOYSA-N 318.285 -0.309 30 20 DBED C#CCN(CC(=O)O)C(=O)N[C@H]1CCO[C@H]1c1nc(C)no1 1588411364 XNKVNTRYOKLGIT-GXSJLCMTSA-N 308.294 -0.063 30 20 DBED Cc1cc(-c2nn[nH]n2)cnc1C(=O)N[C@@H]1CCCN(O)C1=O 1591879927 WJLNRRWAZJILJB-SECBINFHSA-N 317.309 -0.320 30 20 DBED N#CCC1(O)CN(S(=O)(=O)c2ccc(-c3nn[nH]n3)o2)C1 1592673818 PRDAAUPJZFNPAV-UHFFFAOYSA-N 310.295 -0.891 30 20 DBED N#Cc1cn(CC(=O)O)c(=O)n(CCC[C@H]2CCOC2)c1=O 1594633216 QUDLGJRDDVQJFU-JTQLQIEISA-N 307.306 -0.217 30 20 DBED CN(C)C[C@@](C)(C#N)NC(=O)c1cccc(-c2nn[nH]n2)n1 1604677730 QBLTUDCHICUYIU-CYBMUJFWSA-N 300.326 -0.165 30 20 DBED N#Cc1cccc(CNC(=O)Cn2nnc(CCC(=O)O)n2)c1 1608217788 TXSWUJUNDUIUQI-UHFFFAOYSA-N 314.305 -0.122 30 20 DBED C[C@@](C#N)(CC(=O)O)C(=O)NC1CCC2(CC1)NC(=O)NC2=O 1609691331 JWJTUQOEHMSTGT-KQZUMFKRSA-N 322.321 -0.372 30 20 DBED CCOC(=O)[C@@H]1CCCN(CC(=O)N2CC(O)(CC#N)C2)C1 1646245278 OAKLVJCFNQJDCV-GFCCVEGCSA-N 309.366 -0.252 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H](C)CCNC(=O)c1cc[n+]([O-])cc1 1674164994 ZMGRMVFEUALRQN-STQMWFEESA-N 318.377 -0.444 30 20 DBED C=CCNC(=O)CN[C@H](CNC(=O)c1cc[n+]([O-])cc1)C1CC1 1752445022 NLEYSLUKLFQPGC-CQSZACIVSA-N 318.377 -0.280 30 20 DBED C=CCOCC(=O)NC[C@@H](N[C@@H]1CCC(=O)NC1=O)C1CC1 1752447543 AWTOBGVOTWVZPR-VXGBXAGGSA-N 309.366 -0.521 30 20 DBED C=CCNC(=O)CN[C@H](C)CNC(=O)c1nc[nH]c2nccc1-2 1752884081 AROHCFWRVLZQKU-SNVBAGLBSA-N 316.365 -0.080 30 20 DBED C#CCNC(=O)CN[C@@H](C)CNC(=O)[C@@H](C)c1c(C)n[nH]c1C 1752907490 DWVGDKVQZXZIGX-QWRGUYRKSA-N 319.409 -0.026 30 20 DBED C=CCOCCN[C@H](C)CNC(=O)[C@@H]1CCCS1(=O)=O 1752920050 QFBJEQVOQZPLIJ-NEPJUHHUSA-N 304.412 -0.140 30 20 DBED CN(CCNC(=O)c1cc2ncccn2n1)CC(=O)NCC#N 1753068570 KPSVYKMREAALKY-UHFFFAOYSA-N 315.337 -0.969 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H]1CCCN1Cc1nncn1C 1753102280 GWFHJXKSZLULSO-STQMWFEESA-N 305.382 -0.066 30 20 DBED C#CCN1CC[C@@H](N(C)C(=O)CNC(=O)c2ccccn2)C1 1753450088 PDWYPEBOQKTCKY-CYBMUJFWSA-N 300.362 -0.023 30 20 DBED COCC#CCN[C@H]1CCN(C(=O)Cn2ncnn2)C[C@@H]1C 1753754287 GKSQSKYKHQXAPJ-STQMWFEESA-N 306.370 -0.851 30 20 DBED CC[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CCNCC(=O)NCC#N 1753986488 MLPIWZRTFIJSCW-XQQFMLRXSA-N 310.398 -0.074 30 20 DBED C#CCCNCC[C@H](C)NC(=O)c1cn(CC(=O)N(C)C)nn1 1754025100 DSIWVMYADCWLNM-LBPRGKRZSA-N 320.397 -0.512 30 20 DBED C#CCNC(=O)CNCC[C@H](C)NC(=O)[C@H](C)c1cnn(C)c1 1754029246 RCBUXRLYKKJTCJ-QWHCGFSZSA-N 319.409 -0.243 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC/C=C/CN[C@H](CC)C(N)=O 1754132883 AHTVMBNPMCKABR-IHDARNGBSA-N 306.410 -0.390 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@@H](NC(=O)c1cnon1)C1CC1 1754455171 NHUYVLQHXKOHBA-MWLCHTKSSA-N 305.338 -0.695 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@@H]1CNC(=O)CC1(O)CCC1 1754483623 LLKGCEGGRZNHQD-QWHCGFSZSA-N 307.394 -0.380 30 20 DBED C=CCNC(=O)CN1CC[C@](C)(NC(=O)c2cnnn2CC)C1 1754669652 DTVZFTIKCYUVQW-HNNXBMFYSA-N 320.397 -0.206 30 20 DBED C#CCNC(=O)[C@H](C)N1CC(O)(CNC(=O)/C=C\C(C)(C)C)C1 1754764494 FBVXCCOOMFZXTB-WSROAFLRSA-N 321.421 -0.111 30 20 DBED COCC#CCN1C[C@@H]2CCCN(C(=O)c3nnn(C)n3)[C@@H]2C1 1754873790 WYPLJBPXXHQXHD-QWHCGFSZSA-N 318.381 -0.604 30 20 DBED CCC1(NCC#N)CCN(C(=O)C[C@@H]2NC(=O)NC2=O)CC1 1755069449 SZVXTGNOWTXDAZ-JTQLQIEISA-N 307.354 -0.531 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CS(=O)(=O)NC)C[C@H]1C 1755165153 GFOMQPVKUOZZMU-VXGBXAGGSA-N 301.412 -0.472 30 20 DBED C#CCN1CCCCC[C@@H]1CNC(=O)CN(C)S(C)(=O)=O 1755364190 RXUXINNDFZNGJL-CYBMUJFWSA-N 315.439 -0.128 30 20 DBED CC#CCN(C)C1CCN(C(=O)CN2C(=O)CN(C)C2=O)CC1 1755536286 MGYRVHQVXGWZHB-UHFFFAOYSA-N 320.393 -0.174 30 20 DBED C#CCNCCCOCCNC(=O)c1ccc2nn[nH]c2n1 1755554087 XGVFGDHNRRVHPE-UHFFFAOYSA-N 302.338 -0.288 30 20 DBED COCC#CCN[C@@H]1C[C@@H](C)N(C(=O)c2c[nH]c(C(N)=O)c2)C1 1755694872 WRZCTZZQODGXJD-DGCLKSJQSA-N 318.377 -0.044 30 20 DBED C#CCCCC(=O)NCC1CC(NC(=O)[C@@H]2COC(=O)N2)C1 1755934316 YLMLJCOXFZWUNT-MCIGGMRASA-N 307.350 -0.091 30 20 DBED C[C@H](NC(=O)c1c[nH]c(C#N)c1)[C@@H](C)NC(=O)CC(=O)N(C)C 1755964608 MCLWSDQDIBXSFC-ZJUUUORDSA-N 319.365 -0.012 30 20 DBED Cn1cc(C(=O)N[C@H]2C[C@H](CNC(=O)C#CC3CC3)C2)nn1 1756249925 ZTFNWCOOTICSNU-HAQNSBGRSA-N 301.350 -0.147 30 20 DBED CCn1ccc(CC(=O)N[C@@H](CO)CNC(=O)C#CC2CC2)n1 1756519354 GEXIVGDAOLNOOF-CQSZACIVSA-N 318.377 -0.548 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H](CO)NC(=O)c1ccn(C)c1 1756521876 XZBGFFRIHPXNLY-YPMHNXCESA-N 307.350 -0.730 30 20 DBED C=CCOCC(=O)NC[C@@H](O)CN(C)C(=O)c1ccnnc1 1756680203 ILKULJAPFLUKQO-GFCCVEGCSA-N 308.338 -0.772 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)CCSC(=N)N)CCO2 1783049660 KNWRWEOTWZIRTH-AWEZNQCLSA-N 324.406 -0.534 30 20 DBED CC(C)[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC#N)C[C@@H]21 1784182997 AVNIIRXAAQVTIB-ABHRYQDASA-N 323.393 -0.103 30 20 DBED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3ccnc3)[C@H]2C1 1786161772 PUXWSLZVLWEKIT-IHRRRGAJSA-N 316.361 -0.504 30 20 DBED COC(=O)C[C@H](NS(=O)(=O)c1ccc(C#N)nc1)C(=O)O 159637700 LPQCULBNTVBJSY-VIFPVBQESA-N 313.291 -0.752 30 20 DBED N#CCCCCNC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 170902524 ZXMROWQSYCXVBO-CQSZACIVSA-N 322.409 -0.023 30 20 DBED COCCOC1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC1 265322236 IWBQSYAHFYWLHU-UHFFFAOYSA-N 322.365 -0.413 30 20 DBED N#Cc1ccc(Cl)c(NC(=O)C(=O)N2C[C@H](O)[C@@H](O)C2)c1 277595272 SVELDEDBPJMIMJ-QWRGUYRKSA-N 309.709 -0.286 30 20 DBED CN1C(=O)C[C@H](NS(=O)(=O)c2ccc(F)cc2C#N)C1=O 287588267 YPRASLYRQAQUBF-VIFPVBQESA-N 311.294 -0.267 30 20 DBED COCCNC(=O)CNS(=O)(=O)c1ccc(C#N)c(F)c1 292858307 CYKZLKFHVFBWEX-UHFFFAOYSA-N 315.326 -0.262 30 20 DBED O=S1(=O)C[C@H](/N=C(/O)[C@@H]2CCCO2)[C@@H](N2CCOCC2)C1 328959478 PBBHZAWOFKNYDD-SRVKXCTJSA-N 318.395 -0.380 30 20 DBED CN(C)c1ncc(C/N=C(/O)N2CCN3C(O)=NC[C@@H]3C2)n1C 329819065 XNCMTDQHZZABBU-LLVKDONJSA-N 321.385 -0.186 30 20 DBED CN1CCO[C@@H]2CN(/C(O)=N/[C@@H]3CC(=O)N(C4CC4)C3)C[C@H]21 329977749 GHXBCUWQPCUEHC-RAIGVLPGSA-N 308.382 -0.322 30 20 DBED CCS(=O)(=O)N(C)CCC/N=C(/O)N[C@@H]1CCCNC1=O 330435588 MGZXJNBLPDCOIR-SNVBAGLBSA-N 320.415 -0.560 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@@H](CO)[C@H]1CCCO1 337157835 QCMONRYQTXYVJE-NWDGAFQWSA-N 321.399 -0.777 30 20 DBED C[C@H](CO)N(C)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N 338923724 DBUDVFCDDSOSMZ-SECBINFHSA-N 307.354 0.287 30 20 DBED CNC(=O)Cn1cc(N[C@@H](C)C(=O)NC2(C#N)CCC2)cn1 345112094 LHKMULNOEWTLSH-JTQLQIEISA-N 304.354 -0.008 30 20 DBED N#Cc1ccc([C@@H](NCCNC(=O)c2cnccn2)C(N)=O)cc1 360062640 XSQNYDKNSZXULB-CQSZACIVSA-N 324.344 -0.106 30 20 DBED C[C@H]1CN(CC(C)(C)O)CCN1S(=O)(=O)N(C)CCC#N 408438347 HMEFZTJYGGOALR-LBPRGKRZSA-N 318.443 -0.146 30 20 DBED C=CCOC[C@H](NC(=O)c1ccc2nn[nH]c2n1)C(=O)OC 416229969 WYLSEDGKGLFCKF-JTQLQIEISA-N 305.294 -0.173 30 20 DBED CC(C)NS(=O)(=O)NCCNS(=O)(=O)CC1(C#N)CC1 428388840 XRZIVTKBVQMQDY-UHFFFAOYSA-N 324.428 -0.958 30 20 DBED Cc1ccc(C(=O)NCCC(=O)NCC(=O)NCC#N)c(O)c1 436697601 JVFZBUATAIBLHU-UHFFFAOYSA-N 318.333 -0.424 30 20 DBED C=CCOC[C@@H](NS(=O)(=O)c1cnn(C)c1C)C(=O)OC 489812925 NGUOCHOOLKNNLF-SNVBAGLBSA-N 317.367 -0.249 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CCC(=O)C[C@H]2C)CC1 491724673 GTJJFXCQQXZISF-HIFRSBDPSA-N 319.405 -0.115 30 20 DBED COC(=O)C[C@@H](NS(=O)(=O)N(C)[C@@H](C)CC#N)C(=O)O 570519735 YXZVAPKHYWAASW-JGVFFNPUSA-N 307.328 -0.929 30 20 DBED CC1(C)C[C@@H](O)CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)C1 581499988 ZRFCEDWUOVXKQE-RYUDHWBXSA-N 317.411 -0.062 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)NCCN(C)CCCN(C)C 594820757 HARQAEQFXQTEKK-ZDUSSCGKSA-N 319.475 -0.062 30 20 DBED COC(=O)COCCNC(=O)C(=O)Nc1ccc(C#N)cc1F 600046594 LWRJWQMYVUPQRM-UHFFFAOYSA-N 323.280 -0.058 30 20 DBED N#CCCN1CCN(C(=O)c2cn(C[C@@H]3CCCN3)nn2)CC1 601851460 NDPGGINWSWUSEN-ZDUSSCGKSA-N 317.397 -0.298 30 20 DBED CN(CC(=O)N1CC[C@](F)(C#N)C1)[C@H]1CCS(=O)(=O)C1 615932874 SQIXUZCUIBPUMZ-JQWIXIFHSA-N 303.359 -0.431 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@](O)(CC)C2)C1=O 634205784 DRUCGJKEOSRTGJ-HNNXBMFYSA-N 323.349 -0.273 30 20 DBED CC#CC[C@H](CO)NC(=O)C(=O)N=c1cc(C2CC2)n(C)[nH]1 646950748 JWAQGVTUELPIKN-LLVKDONJSA-N 304.350 -0.452 30 20 DBED N#CCN1CCN(C(=O)CS[C@@H]2CCS(=O)(=O)C2)CC1 701338268 YEKRILKONBLFKJ-LLVKDONJSA-N 317.436 -0.426 30 20 DBED CCS(=O)(=O)N1CCC[C@H](C(=O)[C@H](C#N)C(=O)NC)C1 729070042 KGGMOABMUMQWEE-UWVGGRQHSA-N 301.368 -0.497 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)OCC(=O)NCC(=O)O)cc1 739101246 FBIOYCNLOYQHJY-UHFFFAOYSA-N 319.273 -0.968 30 20 DBED C#CCNC(=O)[C@@H](C)OC(=O)[C@@H](CO)NC(=O)c1ccccc1 744829407 OBSCZESYIGFEPQ-DGCLKSJQSA-N 318.329 -0.542 30 20 DBED COCCNC(=O)[C@H](C#N)C(=O)COc1c(C)nn(C)c1C 758506295 CTJMAVHBWFPCAT-LLVKDONJSA-N 308.338 -0.113 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)CN(C)C(=O)COC 758799992 OQEKQFLGNRKRRW-SECBINFHSA-N 315.326 -0.965 30 20 DBED C#CCNS(=O)(=O)N1CCN(CCc2cnn(C)c2)CC1 761037810 QGHHFQFXKRMMQO-UHFFFAOYSA-N 311.411 -0.952 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)c1c([N+](=O)[O-])cnn1C 766966729 DVLBRZJCSSJEFU-UHFFFAOYSA-N 311.254 -0.503 30 20 DBED C#C[C@H](NC(=O)CN1C(=O)C(=O)N(CC=C)C1=O)[C@H]1CCCO1 772886013 OKDWJOZARLGQKD-WDEREUQCSA-N 319.317 -0.740 30 20 DBED C#C[C@@H](NC(=O)C(=O)Nc1cncnc1OC)[C@H]1CCCO1 773784694 CKYMXXMHHADOFG-MWLCHTKSSA-N 304.306 -0.279 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1C[C@H]2C[C@]2(CO)C1 800122582 LSIQMYZTVCZVRB-VXGBXAGGSA-N 303.384 -0.593 30 20 DBED C#Cc1cncc(C(=O)N2CCN(CCS(N)(=O)=O)CC2)c1 806958702 KHZLHHTVBNPZLD-UHFFFAOYSA-N 322.390 -0.891 30 20 DBED N#Cc1cncc(S(=O)(=O)NC2CCN(CC(N)=O)CC2)c1 810037332 LVEUPXBUHUQHMU-UHFFFAOYSA-N 323.378 -0.819 30 20 DBED CC#CCS(=O)(=O)NC(=O)CCCN1C(=O)CCC1=O 810778252 RGXJEJPKNASUOI-UHFFFAOYSA-N 300.336 -0.615 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N[C@H](C)C[S@@](C)=O 829181373 DSWHVZRPEVASMC-BIBXISHDSA-N 302.396 -0.632 30 20 DBED CN(C)S(=O)(=O)c1cc(C(=O)N(CC#N)CC(=O)O)co1 833689818 YTKAFWNNYSBTEV-UHFFFAOYSA-N 315.307 -0.420 30 20 DBED CN(C)S(=O)(=O)c1ccc(C(=O)N[C@H]2CNC[C@H]2C#N)cc1 834511328 KMOCOOAMHDOEIM-YPMHNXCESA-N 322.390 -0.222 30 20 DBED N#Cc1cccnc1NCCNC(=O)NCCN1CCNCC1 841738080 SHOPEYZBKBBEJM-UHFFFAOYSA-N 317.397 -0.430 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N1CC[C@H](C)[C@H](CO)C1 857096467 OCTCJNFIHOSLGQ-KBPBESRZSA-N 310.394 -0.038 30 20 DBED CC(C)[C@@](C)(C#N)NC(=O)CN1C[C@H]2C(=O)N(C)C(=O)[C@H]2C1 879532101 POQINWBFJMVJIB-JRPNMDOOSA-N 306.366 -0.413 30 20 DBED C#CCN1CCC[C@@H](NC(=O)N[C@H]2CCCS(=O)(=O)C2)C1 888748150 MSSFIHAKSIQNQA-OLZOCXBDSA-N 313.423 -0.040 30 20 DBED C#CC1(O)CN(C(=O)[C@H]2CN(C(=O)OC(C)(C)C)CCO2)C1 890524042 ZHTNGGOLJDXEFQ-LLVKDONJSA-N 310.350 -0.171 30 20 DBED N#Cc1cccc(OCC(=O)N2CCN(CC(N)=O)CC2)c1 918689821 DWXKVDHVSNNLMK-UHFFFAOYSA-N 302.334 -0.433 30 20 DBED O=C(N[C@H]1CCN(C(=O)C#CC2CC2)C1)[C@H]1CCS(=O)(=O)C1 938259475 LUMIXQLDMNPITA-STQMWFEESA-N 324.402 -0.448 30 20 DBED C[C@H](C#N)C(=O)N1CCCN(C(=O)[C@@H]2COCCN2C)CC1 940806191 BGGYHRGWSZYKSZ-OLZOCXBDSA-N 308.382 -0.462 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@H]2CCCO2)C1 941237666 FEBWRMJYJAUIHU-QLFBSQMISA-N 319.405 -0.020 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@@H](NC(=O)Cn2c(O)nnc2O)C1 941940317 YFNBINJCQHSQAV-SECBINFHSA-N 323.353 -0.381 30 20 DBED Cc1c[nH]nc1C(=O)NC[C@H]1CN(C(=O)[C@@H](C)C#N)CCO1 944585022 BHNBCWPKCLXYBS-ONGXEEELSA-N 305.338 -0.165 30 20 DBED CO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1NC(=O)c1ccncn1 946036494 TUJMFUNOMHIJJD-YUSALJHKSA-N 303.322 -0.408 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCN([C@H](CC)C(N)=O)CC1 948825756 QAQMSHAQHNHCQM-KGLIPLIRSA-N 306.410 -0.508 30 20 DBED N#Cc1ccc(C(=O)NC[C@H]2CCN2C(=O)[C@H]2COCCO2)[nH]1 949444527 MWEXCMKGCRPUML-DGCLKSJQSA-N 318.333 -0.368 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H](NC(=O)CN2CCCNC2=O)C1 951868465 STTRGUAKLAKZNG-NWDGAFQWSA-N 321.381 -0.331 30 20 DBED C[C@H](C#N)C(=O)N1CCC(C)(NC(=O)[C@@H]2CCC(=O)N2)CC1 956436353 JDRGFMDIPAHDBI-MNOVXSKESA-N 306.366 -0.078 30 20 DBED C[C@]1(NC(=O)c2c[nH]c(C#N)c2)CCN(C(=O)CC(N)=O)C1 956841058 AKMFDAVLVFYHSG-AWEZNQCLSA-N 303.322 -0.517 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2cc(=O)c(OC)co2)C1 958264412 WSLYWEGBYQZWJT-ZYHUDNBSSA-N 306.318 -0.696 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2c(O)nnc(C)c2C)C1 958313913 XFNKTIRSAFAFTG-VXGBXAGGSA-N 304.350 -0.545 30 20 DBED CC(C)(C)n1cnc(C(=O)NC[C@@H]2CN(CC#N)C[C@H]2O)n1 958409968 XSOGEKUVCCNHTC-GHMZBOCLSA-N 306.370 -0.421 30 20 DBED C=CCCN1C[C@H](O)[C@H](CNC(=O)c2cc(C(N)=O)ccn2)C1 958773189 HYBAGGNXXLXYHE-OCCSQVGLSA-N 318.377 -0.221 30 20 DBED N#CCN1C[C@@H]2C(NC(=O)c3coc(S(N)(=O)=O)c3)[C@H]2C1 960625569 YERVUNGYDKWDLW-IUCAKERBSA-N 310.335 -0.889 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)C[C@@H]3CCC(=O)N3)C[C@@H]2C1 961912174 ZPGOXSLMQSGNQY-NDBYEHHHSA-N 318.377 -0.268 30 20 DBED N#Cc1cc(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@H]3CC3(F)F)C2)c[nH]1 962751983 VYIWSCLKATWXSB-MXWKQRLJSA-N 324.287 -0.157 30 20 DBED O=C(N[C@@H]1COC2(C1)CN(C(=O)C#CC1CC1)C2)[C@H]1CCOC1 965648585 ZWDYCZRAHNEQIT-KBPBESRZSA-N 318.373 -0.078 30 20 DBED CN(C[C@H]1CCCN(C(=O)C(N)=O)C1)C(=O)c1c[nH]c(C#N)c1 967401288 YKKNLBUGBZWFFF-SNVBAGLBSA-N 317.349 -0.318 30 20 DBED CCn1cnc(C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2O)c1 969099994 XRGBEDXCZHGODZ-OCCSQVGLSA-N 316.361 -0.382 30 20 DBED C[C@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)C[C@@H]1CCNC1=O)C2 969812239 WFAMYMNFQRTUHS-VOAKCMCISA-N 318.377 -0.126 30 20 DBED CO[C@H]1C[C@H](C(=O)N2CC[C@@H](N(C)CC#N)C2)N(C(C)=O)C1 972017895 ZTPCDKGERAXHIO-HZSPNIEDSA-N 308.382 -0.322 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H](N(C)C(=O)Cn2nccn2)C1 984599427 UMCSXQYJXKCJHY-NEPJUHHUSA-N 304.354 -0.113 30 20 DBED C#CCN[C@H]1CCN(C(=O)CCc2nnc(O)nc2O)[C@H]1C 986462459 MCLNOVCFTTYUNF-UWVGGRQHSA-N 305.338 -0.572 30 20 DBED C[C@H]1[C@@H](NCC#N)CCN1C(=O)c1cnn2c(=O)cc[nH]c12 987136966 MGFIBOAZZJKRQU-ONGXEEELSA-N 300.322 -0.261 30 20 DBED C#CCN[C@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)[C@H]1C 987355893 SNZBYEDWUZONJS-UWVGGRQHSA-N 300.322 -0.757 30 20 DBED C#Cc1cncc(C(=O)N2C[C@H](n3ccnn3)[C@H](NC(C)=O)C2)c1 990777679 PDISABVPEXNOIY-CABCVRRESA-N 324.344 -0.144 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@H](NC(=O)C(F)F)[C@@H](O)C2)c1 991168867 UICNRALYEZSWGI-WPRPVWTQSA-N 312.276 -0.157 30 20 DBED N#CCN[C@@H]1CCC[C@@H]2CN(C(=O)CN3CC(=O)NC3=O)C[C@H]21 992865813 ZRAJIEWYIITHJI-IJLUTSLNSA-N 319.365 -0.722 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)[C@@H]3CCN(C)C3)C2)nc1 997092948 LUSKPWKLJXPJAE-CYBMUJFWSA-N 312.373 -0.045 30 20 DBED N#Cc1cc(C(=O)N[C@H]2CCCN([C@@H]3CCNC3=O)C2)c[nH]1 1007159362 YMTYLUODRNKFQB-WCQYABFASA-N 301.350 -0.031 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnon3)C2)C1 1007706664 POZHTDCEYLPEAU-IINYFYTJSA-N 319.321 -0.327 30 20 DBED N#Cc1cc(C(=O)N2CC3(CCN(C(=O)C(N)=O)C3)C2)c[nH]1 1018957337 KJSMVEOONBQYRQ-UHFFFAOYSA-N 301.306 -0.954 30 20 DBED C[C@H](C#N)C(=O)N1CCCO[C@@H](CNC(=O)c2cn[nH]c2)C1 1019539793 UKGGQLDPDLUYRW-PWSUYJOCSA-N 305.338 -0.083 30 20 DBED O=C(Cn1ncnn1)N1C[C@@H]2CCN(C(=O)C#CC3CC3)[C@@H]2C1 1021591016 MDFKTCIBJVXVMQ-QWHCGFSZSA-N 314.349 -0.854 30 20 DBED O=C(N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O)[C@H]1CCCOCC1 1023546673 RFQYJVDQSRSIRO-RRFJBIMHSA-N 320.389 -0.096 30 20 DBED C=CCN[C@@H]1CC[C@@H]2CN(C(=O)CN3CCN(C)C(=O)C3)C[C@H]21 1026296735 CCGPMYAGGLURHV-RBSFLKMASA-N 320.437 -0.227 30 20 DBED C#CCN(C)[C@@H]1CCCN(C(=O)c2nccnc2C(N)=O)C1 1027674905 MDBUWBKGSZIEBE-LLVKDONJSA-N 301.350 -0.255 30 20 DBED N#CCN1[C@H]2CC[C@H]1CN(C(=O)CN1CCCS1(=O)=O)C2 1029329806 LAUBRMVFDZGYNF-RYUDHWBXSA-N 312.395 -0.779 30 20 DBED CC#CCN1CC(NC(=O)c2ccccc2OCC(N)=O)C1 1030644494 ZDGGTISVYQTZMX-UHFFFAOYSA-N 301.346 -0.012 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)c3cnc(C)n3C)C2)C1=O 1030844684 ZXLAHUATQABPMV-CYBMUJFWSA-N 317.393 -0.071 30 20 DBED C=CCn1cc(C(=O)NC2CN([C@H]3CCN(C)C3=O)C2)nn1 1031069800 ZWDPRFGKGLYJCZ-LBPRGKRZSA-N 304.354 -0.891 30 20 DBED C#Cc1ccc(C(=O)NCC2CN(Cc3nnn(C)n3)C2)cn1 1032137079 KWDRRNUMJIXZDR-UHFFFAOYSA-N 311.349 -0.552 30 20 DBED C#CCCN1CC[C@@H]2CN(C(=O)C3CS(=O)(=O)C3)CC[C@H]21 1036724618 JMGNOYJFDVXRKG-TZMCWYRMSA-N 310.419 -0.023 30 20 DBED Cn1cc(C(=O)N2[C@H]3CC[C@H]2CN(CC#N)CC3)n(C)c1=O 1039475772 IUVAOQVRFGHCAX-RYUDHWBXSA-N 303.366 -0.074 30 20 DBED CC(C)C#CC(=O)N1CC[C@@](O)(CNC(=O)c2ncn(C)n2)C1 1039619921 UGZWDKWOLOFXRF-OAHLLOKOSA-N 319.365 -0.832 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@@](O)(CNC(=O)C#CC2CC2)C1 1039685253 LOOKSUWJAUIDCT-CXAGYDPISA-N 318.373 -0.482 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)Cc2ccc[nH]2)C1 1039877394 FUSZFVAGZXWTBS-ABAIWWIYSA-N 304.350 -0.204 30 20 DBED Cc1nc(C(=O)N2CC[C@@](O)(CNC(=O)[C@H](C)C#N)C2)co1 1040764754 YOLNPACJQXLNPJ-YMTOWFKASA-N 306.322 -0.164 30 20 DBED Cn1cnc(C(=O)N2CC[C@]3(CCN(CC#N)C3)C2)cc1=O 1041373516 WFQMVBRAHUKYMY-HNNXBMFYSA-N 301.350 -0.158 30 20 DBED N#Cc1cnc(NC[C@@H]2CN(C(=O)CC(N)=O)CCCO2)cn1 1041488465 SRADCZAPHDYFER-LLVKDONJSA-N 318.337 -0.747 30 20 DBED N#CCSCC(=O)NCC1(O)CN(C(=O)Cc2ccco2)C1 1041568358 IQPVBBUWODCVPA-UHFFFAOYSA-N 323.374 -0.232 30 20 DBED N#CCSCC(=O)NCC1(O)CN(C(=O)C2(CF)CC2)C1 1041569697 DSPYEUSCWUETIP-UHFFFAOYSA-N 315.370 -0.318 30 20 DBED N#CCN1CC[C@H]2CCN(C(=O)C3CC(=O)NC(=O)C3)C[C@H]21 1042269930 MKVHMYLPCIBAFE-CMPLNLGQSA-N 304.350 -0.514 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)[C@H]2CCCOCC2)C1 1042822001 DLUGRGPFUBTWJA-NEPJUHHUSA-N 309.366 -0.348 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)c2[nH]cnc2C)C1 1043822241 GASOBILMVDYRHV-UHFFFAOYSA-N 320.349 -0.939 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)Cc2cncn2C)C1 1044007543 SJSAJZNJTARRFE-UHFFFAOYSA-N 318.377 -0.689 30 20 DBED C#CCCN1CC(N(C)C(=O)C2(n3cnnn3)CCOCC2)C1 1044031430 ZBGGAQWUPXYZRE-UHFFFAOYSA-N 318.381 -0.655 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)[C@H]2C[C@H]2C(=O)OC)C1 1044483928 DAVHATCQHQEKBX-WDEREUQCSA-N 324.377 -0.303 30 20 DBED C#CCCCCC(=O)N1CC(O)(CNC(=O)c2ncccn2)C1 1045208821 JRHVYPHFISNQJI-UHFFFAOYSA-N 316.361 -0.027 30 20 DBED COC[C@@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C#CC2CC2)C1 1048821108 HDXMZUBOUCHSOL-XBFCOCLRSA-N 308.378 -0.288 30 20 DBED C#CCN1C[C@@H]2CCCN(C(=O)CN3C(=O)CNC3=O)[C@@H]2C1 1050197192 KHJVHTFDUOBMQE-NWDGAFQWSA-N 304.350 -0.906 30 20 DBED CNC(=O)NCC(=O)N1CC[C@H]([C@@H](C)NC(=O)C#CC2CC2)C1 1050934893 QKVXOKVIBHCLTR-YPMHNXCESA-N 320.393 -0.318 30 20 DBED N#CCN1CCOC[C@H]1CNC(=O)[C@@H]1CCCS(=O)(=O)C1 1051144709 WTIKCDXZWPQAKK-VXGBXAGGSA-N 315.395 -0.848 30 20 DBED CC#CCN1CCOC[C@H]1CNC(=O)[C@@H]1CCCS1(=O)=O 1051255433 SLMAHAIKIPRAHH-OLZOCXBDSA-N 314.407 -0.596 30 20 DBED N#CCN1CCN([C@H]2CCN(C(=O)C34CCN(CC3)C4)C2)CC1 1052107943 ICMDWCKUQAAXGP-HNNXBMFYSA-N 317.437 -0.176 30 20 DBED C#CCOCCC(=O)N1C[C@@H](C)[C@@H](CNC(=O)CNC(C)=O)C1 1052594587 VSAUZQDMFMKXRW-OCCSQVGLSA-N 323.393 -0.627 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)c3cn(CC)nn3)CO2)C1 1053969371 MHVUVIIYCFOYCS-LBPRGKRZSA-N 303.366 -0.106 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)C(=O)N3CC[C@H](C)C3)CO2)C1 1053977002 LYIVEVOECVMAKF-QWHCGFSZSA-N 305.378 -0.553 30 20 DBED C=CCOCC(=O)N1C[C@@H]2CN(C(=O)[C@@H](C)NC(C)=O)C[C@@H]2C1 1055144338 HEABCCHBKMDQBL-BNOWGMLFSA-N 323.393 -0.370 30 20 DBED N#Cc1cncc(N2CCN(C(=O)CN3CCCC3=O)CC2)n1 1055724922 MWDBRGPMJPBRSB-UHFFFAOYSA-N 314.349 -0.381 30 20 DBED CN1CCC[C@@H]1C(=O)NC1[C@H]2CN(c3cncc(C#N)n3)C[C@H]12 1056149713 NNLOEPKVODZCPY-RWMBFGLXSA-N 312.377 -0.007 30 20 DBED Cn1ccc(CC(=O)N[C@H]2[C@@H]3CN(c4ccc(C#N)nn4)C[C@@H]32)n1 1056204391 RUSUBHXSWSZVOM-VIKVFOODSA-N 323.360 -0.125 30 20 DBED CNC(=O)NCC(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)[C@@H](C)C#N 1056439902 NXGHGYBELYONTP-QJPTWQEYSA-N 321.381 -0.333 30 20 DBED C#CCNC(=O)CC(=O)NCCN(CCO)C(=O)/C(C)=C\C 1057302738 RIHOJEYKNWWFPZ-XGICHPGQSA-N 309.366 -0.971 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)c1ccnc(C)n1 1057655050 XYGZUVBXTNGBHM-UHFFFAOYSA-N 322.365 -0.462 30 20 DBED N#Cc1cnc(N2CCC[C@@H](NC(=O)[C@H]3CCNC3=O)C2)cn1 1058221211 XRHBKZWTRNOUGZ-PWSUYJOCSA-N 314.349 -0.431 30 20 DBED CC[C@@H]1OCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@H](C)C#N 1058654838 JWOYKRZVTBVGLA-UPJWGTAASA-N 311.382 -0.102 30 20 DBED CC(C)C#CC(=O)NCC[C@@H]1CCN(C(=O)c2nnn(C)n2)C1 1060147047 LEFJTIBGDOKVFX-GFCCVEGCSA-N 318.381 -0.162 30 20 DBED Cn1nnc(C(=O)N2CC[C@H](CNc3cnc(C#N)cn3)C2)n1 1060962890 FVVRJGMOPUOTFM-SECBINFHSA-N 313.325 -0.554 30 20 DBED C#Cc1ccc(C(=O)N2CCOC[C@@H]2CNC(=O)COC)cn1 1061200292 ZLGVMIZDKBYRCN-AWEZNQCLSA-N 317.345 -0.334 30 20 DBED C#CCCCCC(=O)N1CCOC[C@@H]1CNC(=O)CNC(N)=O 1061267417 PXOZZXZJUHILAS-LBPRGKRZSA-N 324.381 -0.808 30 20 DBED C=CCOCC(=O)NC[C@@H]1COCCN1C(=O)C[C@H](C)OC 1061422040 ZNXRLIQTCMFXHE-QWHCGFSZSA-N 314.382 -0.042 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)CC1(O)CCC1 1061561825 AVSSPQFLTKQNQV-RYUDHWBXSA-N 309.366 -0.205 30 20 DBED C[C@H](Nc1ccc(C#N)nn1)C1CCN(C(=O)C(N)=O)CC1 1061874747 JWVWXHKVGILGOI-VIFPVBQESA-N 302.338 -0.127 30 20 DBED CN(C(=O)c1cn(C)nn1)[C@H]1CCN(c2cncc(C#N)n2)C1 1062925099 OWPAUGKFMYUDLD-NSHDSACASA-N 312.337 -0.172 30 20 DBED CN(C(=O)[C@@H]1CCC(=O)N1)[C@@H]1CCN(c2ccc(C#N)nn2)C1 1062959630 CXJBEUPDVZYUQH-NEPJUHHUSA-N 314.349 -0.336 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)[C@H]2CC(=O)N(C)C2)CCO1 1065243188 NWUSYXMGCXGLBP-STQMWFEESA-N 323.393 -0.226 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)C2(C(=O)NC)CC2)CCO1 1065334964 ORQDQNSLSVWAOO-GFCCVEGCSA-N 323.393 -0.178 30 20 DBED C[C@@H](CC(N)=O)C(=O)N1CCO[C@@H](CNC(=O)C#CC2CC2)C1 1065420485 LKLFXJMSXVXJHJ-AAEUAGOBSA-N 321.377 -0.745 30 20 DBED C[C@H](C#N)C(=O)N(C)CCCN(C)C(=O)[C@H]1CCNC(=O)C1 1067174361 QHHUNNSHVRNRPK-NEPJUHHUSA-N 308.382 -0.021 30 20 DBED N#Cc1cnc(N2C[C@H]3CC[C@H]2CN3C(=O)C(N)=O)c(F)c1 1068061650 PXBAWSZWPBCFSF-VHSXEESVSA-N 303.297 -0.243 30 20 DBED Cn1cnc([C@@H]2CN(C(=O)[C@@H]3CCOC3)C[C@H]2NCC#N)c1 1070474980 YCEYIHXQVOSBAD-MBNYWOFBSA-N 303.366 -0.136 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)[C@H](C)n2cncn2)CC1 1070957602 MXRQYESMCOWLLA-ZDUSSCGKSA-N 318.381 -0.877 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CCCN(C(=O)c2cnn(C)n2)C1 1070984252 ATULONHXRJYZGT-ABAIWWIYSA-N 321.381 -0.137 30 20 DBED C#CCN1CCN([C@H]2CCCN(C(=O)[C@@H](C)OC)C2)C(=O)C1 1071256933 MHTYVSNJZRJCMX-KGLIPLIRSA-N 307.394 -0.210 30 20 DBED C#CCN1CCN([C@@H]2CCCN(C(=O)c3ncc[nH]3)C2)C(=O)C1 1071262713 QXBWURXMQVSYRN-CYBMUJFWSA-N 315.377 -0.208 30 20 DBED C#CCN1C[C@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)CC[C@@H]1C 1071966472 FJGQVUNLBCZJOC-NWDGAFQWSA-N 320.393 -0.081 30 20 DBED CNC(=O)NCCC(=O)N[C@H]1CN(C(=O)C#CC(C)C)C[C@@H]1C 1072034754 CLUFHLOYHNSJRY-STQMWFEESA-N 322.409 -0.072 30 20 DBED CC#CCN1CCC2(C1)CN(C(=O)[C@H]1CCS(=O)(=O)C1)C2 1072903223 VACQLZKOXGJUEF-ZDUSSCGKSA-N 310.419 -0.021 30 20 DBED Cc1nc[nH]c1C(=O)N1CCC(O)(CNC(=O)[C@H](C)C#N)CC1 1074638412 NMNPCUGELWXRRD-SNVBAGLBSA-N 319.365 -0.039 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H](C)CCNC(=O)CC(=O)NCC 1076222468 HMEGWQXHDJANQD-RYUDHWBXSA-N 311.382 -0.438 30 20 DBED C=CCN1CC[C@@H](N2C[C@@H](O)[C@H](NC(=O)c3cocn3)C2)C1=O 1076807766 ZNXXQJKMLJPFFJ-RAIGVLPGSA-N 320.349 -0.764 30 20 DBED C[C@@H](CCNC(=O)c1cccc(C(N)=O)n1)NC(=O)[C@H](C)C#N 1077047154 XFRKTTDVGAOJJQ-ZJUUUORDSA-N 317.349 -0.035 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2cc(O)nc(C3CC3)n2)C1 1077189772 QABFHSURXIWUHX-GHMZBOCLSA-N 303.322 -0.642 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)Cn2c(C)cc(C)nc2=O)C1 1077904160 MHRDUDNFZYYMDB-ZIAGYGMSSA-N 320.393 -0.402 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2cc3c(O)ncnc3cn2)C1 1078090239 JUVHZNORTGPQBV-VXGBXAGGSA-N 314.305 -0.971 30 20 DBED C#CCNC(=O)CC(=O)N(CC)C1CN(C(=O)[C@@H](C)OC)C1 1079644526 INUISSSVRQZXCJ-LLVKDONJSA-N 309.366 -0.780 30 20 DBED CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)[C@H]2COCCN2CC)C1 1080418678 WYFNPOCCAPXXPY-TZMCWYRMSA-N 322.409 -0.074 30 20 DBED C#Cc1cncc(C(=O)N2C[C@H](CNC(=O)C(F)F)[C@@H](O)C2)c1 1081161597 SBEHLUVRPPDJEU-RYUDHWBXSA-N 323.299 -0.123 30 20 DBED CC(C)(F)C(=O)NC[C@H]1CN(C(=O)CSCC#N)C[C@H]1O 1081170453 YYTBYNJLNJBACX-VHSXEESVSA-N 317.386 -0.073 30 20 DBED C#CCCCCC(=O)NC[C@H]1CN(C(=O)CC(=O)NC)C[C@@H]1O 1081417766 YEQQSQUJTYARJA-STQMWFEESA-N 323.393 -0.748 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(C(=O)Cc2cnc[nH]2)C[C@H]1O 1081474886 VLKRKMAUDRTOFX-GXTWGEPZSA-N 316.361 -0.699 30 20 DBED CC#CCCCC(=O)NC[C@H]1CN(C(=O)c2cnn[nH]2)C[C@H]1O 1081672126 UIIVKXHCVXWRPD-WCQYABFASA-N 319.365 -0.453 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2ccncn2)C1 1081684497 HFGLSHNMUMPNDB-DGCLKSJQSA-N 320.349 -0.772 30 20 DBED C=C1CCC(C(=O)N2C[C@@H](O)[C@H](CNC(=O)C(N)=O)C2)CC1 1081719470 RSGMLGVTJXTADG-VXGBXAGGSA-N 309.366 -0.846 30 20 DBED C#CCN1C[C@@H](NC(=O)c2cccc(C(N)=O)c2)[C@H](OC)C1 1081862767 REXOUNCCUCAWEO-ZIAGYGMSSA-N 301.346 -0.152 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCc3nncn3C2)C1 1084085894 IORRFPWTGJOFPP-MCIONIFRSA-N 319.409 -0.032 30 20 DBED C=C(Cl)CN1CC[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)[C@H]1C 1088888819 ITSIAAPQMBANNW-UTLUCORTSA-N 314.773 -0.084 30 20 DBED N#Cc1cccnc1N1CCCO[C@H](CNC(=O)CC(N)=O)C1 1089531627 IRUVWXATTREONM-GFCCVEGCSA-N 317.349 -0.460 30 20 DBED N#Cc1cnc(N2CCCO[C@@H](CNC(=O)C(N)=O)C2)c(F)c1 1089556809 MDBGDJYTCKAHKD-JTQLQIEISA-N 321.312 -0.711 30 20 DBED CC[C@H](NC(C)=O)C(=O)N1CCN(c2ccnc(C#N)n2)CC1 1093197100 ZMYUEADYTPWFMM-LBPRGKRZSA-N 316.365 -0.088 30 20 DBED C#CCN1CC(OC2CCN(C(=O)[C@H]3CCCNC3=O)CC2)C1 1093545206 YRNVELKHFRWADG-HNNXBMFYSA-N 319.405 -0.162 30 20 DBED CC[C@H](C(=O)NCCN=c1cc[nH]c(C#N)n1)N1CCCC1=O 1093668426 SGMFVQCVUJCNRM-LLVKDONJSA-N 316.365 -0.301 30 20 DBED CN1C[C@H](C(=O)NCCNc2ccc(C#N)nn2)CCC1=O 1093679817 CGLUHCMFVWMZNO-SNVBAGLBSA-N 302.338 -0.255 30 20 DBED CC(=O)N1CC[C@@H](C(=O)NCCNc2nccnc2C#N)C1 1093781226 CVALEZLBMJULMF-LLVKDONJSA-N 302.338 -0.255 30 20 DBED N#Cc1cncc(NCCNC(=O)[C@@H]2CN3CCC[C@H]3CO2)n1 1094203080 KMNLRUXVAQKLCR-STQMWFEESA-N 316.365 -0.260 30 20 DBED Cn1cc(C(=O)NCCCNc2cnc(C#N)cn2)n(C)c1=O 1094464014 GYGYXSQENYEQLD-UHFFFAOYSA-N 315.337 -0.383 30 20 DBED N#Cc1ccc(N[C@H](CNC(=O)CNC(N)=O)C2CC2)nn1 1096565281 IBOSANGJCNVYHE-SNVBAGLBSA-N 303.326 -0.677 30 20 DBED CS(=O)(=O)CC(=O)NC[C@@H](N=c1cc[nH]c(C#N)n1)C1CC1 1096610956 GETIELRNFVAROE-SNVBAGLBSA-N 323.378 -0.879 30 20 DBED C[C@H](CC(=O)N[C@H]1C[C@H](Nc2nccnc2C#N)C1)NC(N)=O 1097072169 ZWUJEGQYUGONEN-OPRDCNLKSA-N 317.353 -0.146 30 20 DBED CCN1CCO[C@@H](C(=O)NC[C@H](C)Nc2nccnc2C#N)C1 1097875225 RHONPHOXGRWAFG-WCQYABFASA-N 318.381 -0.014 30 20 DBED C=CCOCCNCc1cn([C@@H]2CCN(C(=O)COC)C2)nn1 1098587000 RSXHLZCEWUZPLX-CQSZACIVSA-N 323.397 -0.010 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2cc(C)no2)[C@@H](O)C1 1099654703 QOTKWJNUGQEPIU-OLZOCXBDSA-N 307.350 -0.202 30 20 DBED Cc1cc(=N[C@H](C)CCNC(=O)[C@@H]2CNC(=O)N2)c(C#N)c[nH]1 1099682935 RUAHKTPUKPMXJS-RNCFNFMXSA-N 316.365 -0.328 30 20 DBED COCC#CCN1CC[C@H](NC(=O)Cc2cnn(C)c2)[C@@H](O)C1 1099711500 AMZUJTODZVXLIG-GJZGRUSLSA-N 320.393 -0.836 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)COCCC)[C@H](O)C1 1099733091 RJKYCFADTDHWSV-CHWSQXEVSA-N 313.398 -0.733 30 20 DBED C=CCN1CC[C@@H](NC(=O)C2(S(C)(=O)=O)CCC2)[C@@H](O)C1 1100058194 OVQHXXDXDAZKQC-NEPJUHHUSA-N 316.423 -0.309 30 20 DBED COCC#CCNC1CC(CNC(=O)Cn2cnnc2O)C1 1100269907 UEGXBCZUBLKIKE-UHFFFAOYSA-N 307.354 -0.882 30 20 DBED Cc1nsc(N(C)CCNC(=O)[C@H]2CNC(=O)N2)c1C#N 1100308656 LVYLMBPMTMUONX-SECBINFHSA-N 308.367 -0.443 30 20 DBED C#CCO[C@H](C)C(=O)NCC1CC(NCC(=O)NC2CC2)C1 1100322428 IUNACLDSEGRQLU-LKSINWNRSA-N 307.394 -0.212 30 20 DBED C=CCNC(=O)CNC1CC(CNC(=O)CCc2cnn[nH]2)C1 1100689736 PBCYGBCBPDQKED-UHFFFAOYSA-N 320.397 -0.476 30 20 DBED C=CCN1C[C@@H]2CN(C(=O)CCS(=O)(=O)NC)C[C@]2(C)C1 1101237166 FNZDJUBNYMXBCG-OCCSQVGLSA-N 315.439 -0.108 30 20 DBED C[C@@H](C(=O)N(C)CCNc1ccc(C#N)nn1)S(C)(=O)=O 1102032678 UNBHDQCZDNZWJT-VIFPVBQESA-N 311.367 -0.348 30 20 DBED CN(C)C(=O)CC(=O)N1CCC[C@@H]1CN=c1cc[nH]c(C#N)n1 1103824759 ZNJJGSHMPFYXLG-LLVKDONJSA-N 316.365 -0.349 30 20 DBED C[C@@H](CNC(=O)c1cnn(C)n1)CNc1cnc(C#N)cn1 1104018975 MZDYUQPJOYAROK-SECBINFHSA-N 300.326 -0.045 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)Cc1nc[nH]n1 1104075456 MTAXQQZSMWZVPI-VIFPVBQESA-N 300.326 -0.705 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)[C@@H]1CCC(=O)NC1 1104263821 RUDGSDMMQRFLTN-GHMZBOCLSA-N 316.365 -0.539 30 20 DBED N#Cc1cnc(N2CCO[C@H](CNC(=O)C(N)=O)C2)c(Cl)c1 1104344828 KIUDHGLZJOEVDO-SECBINFHSA-N 323.740 -0.587 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)COCCN(C)C 1104623491 CDCXMLQOKDSDDO-GFCCVEGCSA-N 320.397 -0.393 30 20 DBED C[C@H](CNc1cnc(C#N)cn1)N(C)C(=O)[C@H]1CCNC1=O 1104763122 BCWQLWUJDMLDJI-KOLCDFICSA-N 302.338 -0.257 30 20 DBED CN(CCN(C)c1nccnc1C#N)C(=O)[C@H]1COCCO1 1105338723 DCMUMEWUCJZXKX-GFCCVEGCSA-N 305.338 -0.342 30 20 DBED CN(CCN(C)c1nccnc1C#N)C(=O)[C@@H]1CCC(=O)N1C 1105533845 JUTIGRIUMXYWCB-LBPRGKRZSA-N 316.365 -0.136 30 20 DBED CN(CCN(C)c1cncc(C#N)n1)C(=O)c1cnc(O)n1C 1105535123 LFUXWGBIYZUKMQ-UHFFFAOYSA-N 315.337 -0.004 30 20 DBED Cc1nnc(CC(=O)NC[C@H](O)CN=c2cc[nH]cc2C#N)o1 1105816154 RIHUXRXCRUSACW-LLVKDONJSA-N 316.321 -0.802 30 20 DBED Cc1cc(C#N)nc(NC[C@H](O)CNC(=O)[C@@H](C)CC(N)=O)n1 1106060088 NLJZEPYUBDQGTC-GZMMTYOYSA-N 320.353 -0.943 30 20 DBED N#Cc1nccnc1NC[C@H](O)CNC(=O)[C@@H]1[C@H]2COC[C@H]21 1106062073 BJQDHBXQADEICL-UXCLJVHYSA-N 303.322 -0.870 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)[C@]2(F)CCOC2)cn1 1106073676 XHGWRKUPFHLKGY-JSGCOSHPSA-N 308.313 -0.029 30 20 DBED C=CCNC(=O)CNC[C@@H]1CN(C(=O)Cn2ccnc2)C[C@H]1C 1107077570 KKJNQEVPAAHTBW-ZIAGYGMSSA-N 319.409 -0.131 30 20 DBED C[C@H](CNc1cncc(C#N)n1)NC(=O)[C@@H]1CCS(=O)(=O)C1 1108000973 JEUWPOFKVMUMLO-NXEZZACHSA-N 323.378 -0.300 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](C)NC(=O)c2c[nH]c(=O)cn2)n1 1108088487 FJWJZTVYWFHOED-SECBINFHSA-N 313.321 -0.030 30 20 DBED C[C@H](CN(C)c1cncc(C#N)n1)NC(=O)[C@@H]1CCC(=O)N1 1109027011 CFZGXKFSMHBVRW-KOLCDFICSA-N 302.338 -0.432 30 20 DBED N#Cc1cnc(NC[C@@H](NC(=O)CNC(N)=O)C2CC2)cn1 1109754002 PHMAWNOTUBFHTJ-SNVBAGLBSA-N 303.326 -0.677 30 20 DBED N#Cc1cncc(NC2(CNC(=O)[C@@H]3CNC(=O)N3)CC2)n1 1110324250 FXDDSXAFLNBPHH-VIFPVBQESA-N 301.310 -0.910 30 20 DBED CNC(=O)NCC(=O)NCC1(Nc2ccc(C#N)nc2)CC1 1110380733 FWXGPVRCRZUCHZ-UHFFFAOYSA-N 302.338 -0.057 30 20 DBED C[C@@]1(NC(=O)Cc2nc[nH]n2)CCN(c2nccnc2C#N)C1 1110792661 XUVCXAUTFOBUBX-CQSZACIVSA-N 312.337 -0.206 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H]1CCC(=O)N1C 1110903576 OCMUCLZOSGLPBW-KBXIAJHMSA-N 319.405 -0.022 30 20 DBED C#CCOCCC(=O)NC[C@@]1(O)CCN(c2ncccn2)C1 1111097577 CDXIIWPIBBHWFA-HNNXBMFYSA-N 304.350 -0.426 30 20 DBED C[C@](O)(CC(=O)N1CCN(CC(=O)NCC#N)CC1)C1CC1 1112769293 CBOMZWXSUGOCAN-HNNXBMFYSA-N 308.382 -0.679 30 20 DBED C[C@@H]1OCCC[C@H]1C(=O)N1CCN(CC(=O)NCC#N)CC1 1112802811 BWXSCNVPJYSSRD-QWHCGFSZSA-N 308.382 -0.415 30 20 DBED C[C@H](CNC(=O)[C@@]1(C)CCNC1=O)N(C)c1cnc(C#N)cn1 1113872118 ISCJVGGUINZSNC-BMIGLBTASA-N 316.365 -0.185 30 20 DBED C=CCOCC(=O)N[C@H]1[C@@H]2CN(CCNC(=O)C3CC3)C[C@@H]21 1114047490 GTKOLIADCAXTQF-NHAGDIPZSA-N 307.394 -0.238 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1[C@@H]2CN(Cc3nnc4n3CCOC4)C[C@@H]21 1114067570 UDVBHVINVUHZKJ-KZWBYHQPSA-N 316.365 -0.486 30 20 DBED Cc1ccn(C)c1C(=O)NC1[C@H]2CN(CC(=O)NCC#N)C[C@H]12 1114187605 YKAGFKXGYCMBKD-RYUDHWBXSA-N 315.377 -0.367 30 20 DBED C#CCOCCC(=O)N[C@H]1[C@@H]2CN([C@H](C)C(=O)NCCC)C[C@@H]21 1114262463 DPXCLLFMWUDXNI-NYTXWWLZSA-N 321.421 -0.013 30 20 DBED C[C@@H](CCCNc1nccnc1C#N)NC(=O)CNC(N)=O 1114836973 SASMSORSILVTAY-VIFPVBQESA-N 305.342 -0.287 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)c3[nH]c(C)nc3C)[C@@H]2C1 1114841365 UXAVSGMQNWXSJD-VXGBXAGGSA-N 317.393 -0.011 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)[C@H]3CCCN3C(C)=O)[C@H]2C1 1115317144 BEBISXGKBGCPBD-QXSJWSMHSA-N 319.405 -0.307 30 20 DBED C#CCOCCC(=O)N(C)C[C@@H](C)Nc1ccc2nnnn2n1 1120084554 VOLPIYWPEWBJJF-LLVKDONJSA-N 317.353 -0.182 30 20 DBED C[C@H](CN(C)C(=O)[C@@H]1CN(C)C(=O)N1)Nc1cncc(C#N)n1 1120408453 MTEDTNKCNLOMEM-KOLCDFICSA-N 317.353 -0.369 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H](CO)CNC(=O)c1cnns1 1121091369 ATCGXQMPXYVLQA-SECBINFHSA-N 304.335 -0.571 30 20 DBED Cc1cc(C(=O)NC[C@H](CO)Nc2nccnc2C#N)n[nH]1 1121119617 GWPFWNPBLOQJSG-SECBINFHSA-N 301.310 -0.417 30 20 DBED Cn1cnc(C(=O)NC[C@H](CO)Nc2ccc(C#N)nc2)c1 1121304092 UHRXHFXDFBDTBS-GFCCVEGCSA-N 300.322 -0.110 30 20 DBED CCn1cc(C(=O)NC[C@@H](CO)Nc2ccc(C#N)cn2)nn1 1121929410 TZPWCGVSLUCSGJ-NSHDSACASA-N 315.337 -0.233 30 20 DBED Cc1cc(C#N)nc(N[C@H](CO)CNC(=O)c2cccnn2)n1 1121944651 XAEQSMPPDTWUIS-NSHDSACASA-N 313.321 -0.351 30 20 DBED N#Cc1cccnc1N[C@@H](CO)CNC(=O)Cc1ncc[nH]1 1121977341 OCUZXTIEDNJALN-LLVKDONJSA-N 300.322 -0.192 30 20 DBED N#Cc1cnc(N[C@H](CO)CNC(=O)[C@H]2C[C@H]2C(N)=O)c(F)c1 1122567108 IAISYLIJNNVPQS-AEJSXWLSSA-N 321.312 -0.897 30 20 DBED C=C(C)CCC(=O)N1C[C@H](n2ccnn2)[C@H](N[C@H](C)C(N)=O)C1 1129878822 HKTAJYHGFXSFTJ-UPJWGTAASA-N 320.397 -0.150 30 20 DBED C#CCCN[C@@H]1CN(C(=O)c2cncn2C)C[C@@H]1n1ccnn1 1129925045 RASOHLPIEKEXGN-OCCSQVGLSA-N 313.365 -0.310 30 20 DBED C#CCN1CC[C@@H](c2n[nH]cc2CNC(=O)Cn2nccn2)C1 1130392596 QDGHHPFGBFUFCY-GFCCVEGCSA-N 313.365 -0.260 30 20 DBED CO[C@@H](C)CC(=O)NCc1nc([C@H]2COCCN2CC#N)n[nH]1 1130832289 VTLRMURQWBZCJA-WDEREUQCSA-N 322.369 -0.257 30 20 DBED CC(C)[C@@H](O)C(=O)NCc1nc([C@@H]2COCCN2CC#N)n[nH]1 1130843142 SBHQPFBYRMAJQJ-CMPLNLGQSA-N 322.369 -0.665 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)CC(=O)NCC)C[C@@]3(C1)O2 1131220635 OGXDWRCHBYZZOZ-XJKCOSOUSA-N 305.378 -0.553 30 20 DBED CC#CCN1CC[C@]2(C1)CN(C(=O)CNC(N)=O)C[C@@H](C)O2 1131632671 NOESCUYFAWZGDJ-DOMZBBRYSA-N 308.382 -0.630 30 20 DBED C=CCOCC(=O)N[C@@H]1CC[C@@H](C)N(Cc2nnnn2C)C1 1131945860 BXCFVCUDRHYCLJ-VXGBXAGGSA-N 308.386 -0.118 30 20 DBED CC(C)NC(=O)CN(C)CC(=O)N[C@@H]1CC[C@H](C)N(CC#N)C1 1132160731 QPOYADYZMRORQH-UONOGXRCSA-N 323.441 -0.065 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCCNCC(=O)NCCOCC 1134058211 FEOAGUZUXDQEAM-OLZOCXBDSA-N 313.398 -0.564 30 20 DBED CC#CCN1CCC2(C1)CN(C(=O)CCS(=O)(=O)NC)C2 1147558201 PEYSTNBTOIEOBT-UHFFFAOYSA-N 313.423 -0.517 30 20 DBED C#CCCN1CCC2(C1)CN(C(=O)COCc1nncn1C)C2 1148524787 UOKJJIKKPOZRIC-UHFFFAOYSA-N 317.393 -0.111 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)COCc1cccnc1 1149201930 GOVSEXORHYUULS-CYBMUJFWSA-N 318.377 -0.558 30 20 DBED C=CCCOCC(=O)NCCNCC(=O)NCc1cccnc1 1153080627 ACQNEPDZXJOIFI-UHFFFAOYSA-N 320.393 -0.004 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)c1cc(CC)n(C)n1 1153741600 HKAPTVMZDVTLRM-NSHDSACASA-N 307.398 -0.007 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1cnc(OCC)cn1 1153753182 TYNQBGLCWHTPFE-LLVKDONJSA-N 319.365 -0.667 30 20 DBED C=CCNC(=O)CN(CC)[C@H](C)CNC(=O)[C@H]1CCC(=O)N1C 1154796299 VTGMUGWFIKWNJP-CHWSQXEVSA-N 324.425 -0.264 30 20 DBED C=CCCO[C@H](C)C(=O)NCCCNCC(=O)NC(=O)NC 1155426695 IOEAWXDNQQBJGP-LLVKDONJSA-N 314.386 -0.481 30 20 DBED C#CCO[C@@H](C)C(=O)NCCCNCCCS(=O)(=O)CC 1157880852 UJDMTSMHOOWBEN-ZDUSSCGKSA-N 318.439 -0.055 30 20 DBED N#CCNC(=O)CNCCCNC(=O)C1(c2ccccn2)CC1 1158010150 BASQAHRRQAVALQ-UHFFFAOYSA-N 315.377 -0.151 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1cc2n(n1)CCCO2 1162305710 XRLIAJKYGGNREY-UHFFFAOYSA-N 319.365 -0.876 30 20 DBED C=CCNCC1(CCNC(=O)Cn2cnc(C(N)=O)n2)CC1 1164576685 WOJXVCGYLTXYKE-UHFFFAOYSA-N 306.370 -0.561 30 20 DBED CC[C@H](C(=O)NCCC1(CNCC(=O)NCC#N)CC1)N(C)C 1165727499 BOOPRAPVCFJKLF-CYBMUJFWSA-N 323.441 -0.158 30 20 DBED C=CCCNCC1(CCNC(=O)CN2CCNC(=O)C2)CC1 1166559996 JZQHLUCBHNNYJS-UHFFFAOYSA-N 308.426 -0.130 30 20 DBED N#CCNC(=O)CNCCCNC(=O)c1csc2cncn12 1167519784 HBUFHXISLWQKFA-UHFFFAOYSA-N 320.378 -0.255 30 20 DBED CC#CCNCC1(CCNC(=O)c2cn(C)c(=O)nc2O)CC1 1168119207 JYEWAISLTJYAOU-UHFFFAOYSA-N 318.377 -0.001 30 20 DBED C#CCNC(=O)CNCC1(CCNC(=O)c2ccn(C)n2)CC1 1168126642 MPCODCHRUXAXOU-UHFFFAOYSA-N 317.393 -0.341 30 20 DBED C#CCNC[C@H]1C[C@H]2CC[C@H]1N(C(=O)CC(=O)NCC#C)C2 1177705988 LMKNMSSUJYRFBN-RBSFLKMASA-N 301.390 -0.024 30 20 DBED C=CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)c2nnn(C)n2)[C@H]1C 1179336841 DABHBSBOYDWNTF-DCAQKATOSA-N 321.385 -0.907 30 20 DBED CC#CCN[C@@H]1CCN(C(=O)CCCn2c(O)nnc2O)C1 1183782708 MNGVWTLCTPPCOF-LLVKDONJSA-N 307.354 -0.317 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](CNCCOC)[C@@H](C)C1 1184239866 CYBNIHPJADFYIY-UONOGXRCSA-N 309.410 -0.154 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1 1185207068 FGPFKMYWGHBFNB-WDEREUQCSA-N 319.365 -0.735 30 20 DBED C#Cc1cccc(NC(=O)CN[C@@H]2CCN(C(=O)C(N)=O)C2)c1 1185333874 CZMPHDHPRJLBLA-CYBMUJFWSA-N 314.345 -0.718 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@]2(C)CCNC2=O)C1 1185632631 CFCBMLFSWDSGON-ABAIWWIYSA-N 308.382 -0.995 30 20 DBED C#CCCCC(=O)N1CC[C@@H](N(C)[C@H](C)C(=O)NC(N)=O)C1 1189925681 DUOLATMBHKNIGL-VXGBXAGGSA-N 308.382 -0.094 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2cn(C)c(O)n2)C1 1192153880 XQRMASXWSLPNNR-LLVKDONJSA-N 319.365 -0.979 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)C[C@@H]2CCC(=O)N2)C1 1192800612 IBDMHXMVXCMMMM-STQMWFEESA-N 322.409 -0.510 30 20 DBED Cc1nc[nH]c1CC(=O)N1CC[C@H](N(C)CC(=O)NCC#N)C1 1193696889 VTDNUWWISJOPJO-LBPRGKRZSA-N 318.381 -0.567 30 20 DBED Cc1ccc(C(=O)N2CCCN(CC(=O)NCC#N)CC2)nn1 1195754639 RBJVUJUFUUYUFJ-UHFFFAOYSA-N 316.365 -0.427 30 20 DBED COCC#CCN1CCCN(C(=O)[C@H](C)S(C)(=O)=O)CC1 1196295738 QHNXIGXGOHZGHV-ZDUSSCGKSA-N 316.423 -0.396 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)c2coc(OC)n2)CC1 1196656987 XTCZICFCARUGDJ-UHFFFAOYSA-N 320.349 -0.420 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)[C@@]2(C)CCCOC2)C1 1197254266 OCLRDHGOIRUDMX-FMKPAKJESA-N 310.394 -0.386 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)CCCn2cccn2)C1 1198776454 ADTVFEYVRGVAOB-HUUCEWRRSA-N 320.393 -0.526 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)C[C@@H]2COC(=O)C2)CC1 1200071312 ZAUAFAITBODDNK-LBPRGKRZSA-N 323.393 -0.178 30 20 DBED COCC#CCNC[C@H]1CN(C(=O)c2cn(C)cn2)CCCO1 1200249561 QAMBWKVTURXJSB-AWEZNQCLSA-N 320.393 -0.109 30 20 DBED C=CCOCCNC[C@H]1CN(C(=O)c2cn(C)nn2)CCCO1 1200420373 RGQUKYHXCOWIQG-ZDUSSCGKSA-N 323.397 -0.162 30 20 DBED Cc1ccc(=O)n(CC(=O)N2CCCO[C@@H](CNCC#N)C2)n1 1201908025 IISHUUPHYUYSIO-ZDUSSCGKSA-N 319.365 -0.718 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CCN(C(=O)Cc2nc[nH]n2)CC1 1203277703 LXGYHWLJXPRCRG-LLVKDONJSA-N 318.381 -0.934 30 20 DBED CC#CCN[C@H]1C[C@@H](NC(=O)CN2CC(=O)NC2=O)C12CCC2 1203508249 WZTMCCUSYNUBGN-NWDGAFQWSA-N 318.377 -0.422 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)[C@H]2CCN(C)C2)CC1 1203692508 GGWMTYVWTCLWAM-ZDUSSCGKSA-N 306.410 -0.732 30 20 DBED C#CCCN[C@H]1C[C@H](NC(=O)CS(=O)(=O)NC)C12CCC2 1203744483 ZSULRMBVWULQKK-RYUDHWBXSA-N 313.423 -0.424 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)c2[nH]nnc2C)[C@H](C)C1 1208275661 RJYFGFYJQWOQHS-MWLCHTKSSA-N 306.370 -0.535 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)c2ccco2)[C@H](OC)C1 1211766350 YMQWBADRXBETLS-OUCADQQQSA-N 319.361 -0.154 30 20 DBED CCn1nncc1CN1C[C@@H](NC(=O)[C@H](C)C#N)[C@H](OC)C1 1212039274 IHTXAMATMLTIEV-RAIGVLPGSA-N 306.370 -0.227 30 20 DBED C=CCN1CC[C@@H](N[C@@H]2CN(C(=O)CC(=O)NC)C[C@H]2C)C1=O 1214504233 SZVVXRADXJJYQT-JHJVBQTASA-N 322.409 -0.654 30 20 DBED C#CCOCCC(=O)N1C[C@@H](N[C@H]2CCN(C)C2=O)[C@H](C)C1 1214610622 BFFFZCWRXGBDFW-HZSPNIEDSA-N 307.394 -0.307 30 20 DBED C=CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H](C)NC(=O)COC 1217977405 YPPFNGHVKGWWOO-FRRDWIJNSA-N 311.382 -0.765 30 20 DBED CCn1ccnc1CN1C[C@H](O)[C@H](NC(=O)CSCC#N)C1 1219220019 YSLHQEZBTJFMNJ-NEPJUHHUSA-N 323.422 -0.179 30 20 DBED Cc1nc(C)n(CCN2C[C@H](O)[C@H](NC(=O)C#CC(C)C)C2)n1 1219580856 COKYUNJHAVASAH-CABCVRRESA-N 319.409 -0.284 30 20 DBED C=C(C)C(C)(C)C(=O)N[C@@H]1CN([C@@H]2CCC(=O)NC2=O)C[C@@H]1O 1220134021 WCCHXTBGUJPJOO-UTUOFQBUSA-N 323.393 -0.445 30 20 DBED C=CCCCN1C[C@H](O)[C@H](NC(=O)Cn2nc(C)n(C)c2=O)C1 1220879257 MZTSYKYHYJPAPE-OLZOCXBDSA-N 323.397 -0.982 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2cn(CC)nn2)C[C@@H]1O 1221145429 BQIHHYFJPBALLR-YUTCNCBUSA-N 323.397 -0.450 30 20 DBED N#CCN1CCC(NC(=O)CCC(=O)N2CCOCC2)CC1 1230188907 OCDIJOQWPDRNKO-UHFFFAOYSA-N 308.382 -0.270 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@@H]1CN(C)C(=O)CC(C)(C)O 1234039568 NLGUSRMYLLHTMP-CHWSQXEVSA-N 309.410 -0.182 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C[C@H]1CCN1Cc1ncnn1C 1234226944 VCJVRPYVLMKNPJ-CHWSQXEVSA-N 305.382 -0.114 30 20 DBED C=CCNC(=O)[C@@H](C)n1cc(CN2CCS(=O)CC2)nn1 1262025858 WZGPADVBAKUICK-LLVKDONJSA-N 311.411 -0.294 30 20 DBED C#CCOCCNC(=O)C(=O)N1CC[C@H](CN(C)CCC)C1 1323261927 XXVIOWYZTLLKSG-CQSZACIVSA-N 309.410 -0.057 30 20 DBED Cc1cc(NC(=O)C(=O)NCC(=O)NCC#N)cn2ccnc12 1324520350 NIKQAJKEQQVPTP-UHFFFAOYSA-N 314.305 -0.663 30 20 DBED C=CC[C@H](NC(=O)c1cnn(C[C@@H](O)CO)c1)C(=O)OCC 1328662527 WZYQPDTUEVGDRX-NEPJUHHUSA-N 311.338 -0.526 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@H]1CCCN(C)C1=O)[C@H]1CCCO1 1330398367 YHVIOMYPVYQIRK-SDDRHHMPSA-N 307.350 -0.980 30 20 DBED O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCOC[C@@H]1C(=O)O 1333658896 RTURGRIISKALKD-MMZVIXLHSA-N 323.305 -0.785 30 20 DBED C=CCN(C(=O)C(=O)N[C@H](CC)C(=O)N1CCOCC1)C1CC1 1342784477 HYTCEYCRMIAXNZ-CYBMUJFWSA-N 323.393 -0.083 30 20 DBED CC1(CNC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)CCOCC1 1345858056 NPAFUIIMBKGMPA-HNNXBMFYSA-N 309.366 -0.204 30 20 DBED C[C@@H](NC(=O)C(=O)N1CC[C@](F)(C#N)C1)c1nnnn1C1CC1 1351847901 KXRIZBPKJRFATI-OQPBUACISA-N 321.316 -0.351 30 20 DBED N#Cc1ccc(C(=O)N2CCS(=O)(=O)[C@@H]3COCC[C@@H]32)nc1 1363248018 JKLNDSVPLVIWLJ-QWHCGFSZSA-N 321.358 -0.019 30 20 DBED CN1CCC[C@H](NC(=O)NCCn2cc(C#N)c(O)nc2=O)C1 1364205667 JLNTXYJITDEKPX-NSHDSACASA-N 320.353 -0.786 30 20 DBED C[C@H](C#N)C(=O)N(C)CCN(C)C[C@@H]1CCS(=O)(=O)C1 1367511142 PSFJBRQXIUDKAF-NEPJUHHUSA-N 301.412 -0.029 30 20 DBED CCNC(=O)NC(=O)[C@H](C)N(CCNC(=O)[C@H](C)C#N)C1CC1 1377517244 JOPINUIHWIWPOY-MNOVXSKESA-N 323.397 -0.039 30 20 DBED C=C(Br)CN1CC(NC(=O)CNC(=O)NC)C1 1377884118 KZXSEWOFIZJXLP-UHFFFAOYSA-N 305.176 -0.376 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H](C)CNC(=O)c1cccc(C(N)=O)n1 1380783405 WZFCMZRDWBNZQN-NXEZZACHSA-N 317.349 -0.083 30 20 DBED Cc1cc(CC(=O)N(C)C[C@@H](O)CNC(=O)[C@H](C)C#N)no1 1384202682 VRRHITDJWWKMSV-SKDRFNHKSA-N 308.338 -0.379 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H]1CNC(=O)CCn1cnnn1 1387377831 PNNSYFASFUVGPO-MNOVXSKESA-N 305.342 -0.670 30 20 DBED Cc1nn[nH]c1C(=O)NC[C@@H](C)NC(=O)c1ccc(C#N)[nH]1 1389167807 MTRMLKKMAABKCP-SSDOTTSWSA-N 301.310 -0.139 30 20 DBED CC(=O)NCC(=O)N[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)[C@@H]1C 1395827868 GZNRAGWPFPQLLX-SKDRFNHKSA-N 317.349 -0.258 30 20 DBED CCC[C@@H](NC(N)=O)C(=O)N[C@H]1C[C@H](NC(=O)[C@H](C)C#N)C1 1407818683 FVPLSIXWYHNRRH-GWOFURMSSA-N 309.370 -0.254 30 20 DBED COC(=O)CCC(C)(C)NC(=O)Cn1cc(C#N)c(O)nc1=O 1411765379 IRDKCXJHEKYMCN-UHFFFAOYSA-N 322.321 -0.331 30 20 DBED Cn1cnc(NC(=O)N(CCC#N)CCN2CCOCC2)n1 1414505738 PJKCCVRUVLNUKZ-UHFFFAOYSA-N 307.358 -0.105 30 20 DBED C[C@@H](C(=O)N1CCC(NC(=O)[C@H](C)C#N)CC1)S(C)(=O)=O 1414673663 QUQKJVGLNUHVEC-ZJUUUORDSA-N 315.395 -0.314 30 20 DBED C[C@@H](NC(=O)CCn1cc(C#N)c(O)nc1=O)c1nncn1C 1417612004 XBZHVWYURLPLHF-MRVPVSSYSA-N 317.309 -0.783 30 20 DBED CCOC[C@@H](C)CS(=O)(=O)NCCn1cnc(C#N)n1 1424035123 XCHXIGSBVNHNIU-SNVBAGLBSA-N 301.372 -0.258 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H](CNC(=O)CCNC(N)=O)C1 1428342731 AXOFWYBEBVKYMQ-QWRGUYRKSA-N 309.370 -0.441 30 20 DBED CC[C@@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)[C@@H]1CCC(=O)N1 1432638936 LWMJICRUVSIKJR-QWRGUYRKSA-N 317.349 -0.210 30 20 DBED CCOCC(=O)N1CCC(N(CCO)C(=O)[C@@H](C)C#N)CC1 1446184921 CPSXHXMXWJPKIS-LBPRGKRZSA-N 311.382 -0.006 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)N2C[C@@H](O)[C@@H](CO)C2)cc1 1451188487 RHMFICVJNXGXEO-CHWSQXEVSA-N 303.318 -0.900 30 20 DBED COCCN(CCNC(=O)[C@H](C)C#N)C(=O)Cc1cncn1C 1452150957 MKGQVBNHZGDYIX-GFCCVEGCSA-N 321.381 -0.287 30 20 DBED Cc1c(C#N)c(=O)n(Cc2noc3c2COCC3)c(=O)n1C 1473069566 VDORUBZIKGPBJG-UHFFFAOYSA-N 302.290 -0.164 30 20 DBED N#Cc1cc(CNS(=O)(=O)N2CCO[C@H](C#N)C2)ccn1 1475791118 UFCVIIKIPGQAPC-GFCCVEGCSA-N 307.335 -0.488 30 20 DBED C#CCNC(=O)CNC[C@@H]1CCCN1C(=O)[C@H]1CCCN1C 1569534194 FDODZKMLTLWZGK-UONOGXRCSA-N 306.410 -0.589 30 20 DBED N#Cc1ccc(CNC(=O)CN2C[C@H](O)C[C@@H]2C(=O)O)cc1 1571080338 QJHFPTYOHVKARJ-CHWSQXEVSA-N 303.318 -0.306 30 20 DBED CC(C)CNCC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1575603893 NQBCXBBACQYJFB-UHFFFAOYSA-N 305.338 -0.551 30 20 DBED Cc1c(-c2nn[nH]n2)c(=O)n(Cc2ccc(C#N)o2)c(=O)n1C 1580523046 ZBYQGDCGGGQFKU-UHFFFAOYSA-N 313.277 -0.452 30 20 DBED CN(CCc1cnccn1)c1cnc(-c2nn[nH]n2)c(C#N)n1 1591122816 VVDQSTDYGQFATD-UHFFFAOYSA-N 308.309 -0.003 30 20 DBED N#Cc1cncc(NCCNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)n1 1592704431 KYRQIAMIIYRLFZ-UHFFFAOYSA-N 324.308 -0.302 30 20 DBED CCC1(Cn2cc(C(=O)N(CC#N)CC(=O)O)nn2)COC1 1595384545 VQVRRJMPQYHETO-UHFFFAOYSA-N 307.310 -0.245 30 20 DBED N#CCN1CCC(OC(=O)CN2CCC[C@H](C(=O)O)C2=O)CC1 1601074728 OHAIMSCFFRXTJU-LBPRGKRZSA-N 323.349 -0.159 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCN([C@]2(C(=O)O)CCOC2)CC1 1602940351 UDXNSNIXYSSIKB-DVOMOZLQSA-N 324.377 -0.035 30 20 DBED C=C[C@@H]1OCC[C@H]1NS(=O)(=O)c1cnn(CC(=O)O)c1 1602944799 IPOURCICAJLJRA-ZJUUUORDSA-N 301.324 -0.411 30 20 DBED N#Cc1csc(Cn2c(=O)c(C#N)cn(CC(=O)O)c2=O)n1 1605626344 IKWGUFLNAHSOLN-UHFFFAOYSA-N 317.286 -0.657 30 20 DBED N#Cc1cn(CC(=O)NCCCCCC(=O)O)c(=O)nc1O 1608223008 MZWGALUEROCRIP-UHFFFAOYSA-N 308.294 -0.418 30 20 DBED C#CCN(C)C(=O)NCCNc1ccc(-c2nn[nH]n2)cn1 1609020989 WJOZZPWARBBSKE-UHFFFAOYSA-N 300.326 -0.052 30 20 DBED N#Cc1ccncc1C(=O)NCCn1cnc(-c2nn[nH]n2)n1 1609500601 LYFNYWLLCPKBDB-UHFFFAOYSA-N 310.281 -0.845 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N[C@H]1CCc2c(nnn2C)C1 1645920587 CIFVWKXGFPFYOY-UWVGGRQHSA-N 312.399 -0.259 30 20 DBED COC[C@H](O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C 1646665774 XKRZNIOKNBUOIC-NEPJUHHUSA-N 306.370 -0.329 30 20 DBED COC(=O)C1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 1649696312 CTXNMINTHSJMDB-NSHDSACASA-N 317.367 -0.659 30 20 DBED CC#CCN1CCN(CCNC(=O)[C@H]2CCNC(=O)CC2)CC1 1752371554 XOCPRDLLOSYRHI-OAHLLOKOSA-N 320.437 -0.340 30 20 DBED COCC#CCN[C@H]1C[C@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1752647218 LRXLHQYXVRDZNQ-UVPYHEFZSA-N 322.405 -0.076 30 20 DBED C#CCNC(=O)CN1CCN(CCN(C)C(=O)C(C)(C)C)CC1 1753344550 JPRRRSYWKCDCSN-UHFFFAOYSA-N 322.453 -0.142 30 20 DBED C=CCN1CCO[C@@H](CNC(=O)CN2CCCS2(=O)=O)C1 1753654667 AJNPGHKMZYVAFR-LBPRGKRZSA-N 317.411 -0.975 30 20 DBED C[C@@H](NCC#N)[C@H]1CCCN(C(=O)CS(=O)(=O)N(C)C)C1 1753801474 OJOITWIXEXYMPH-NEPJUHHUSA-N 316.427 -0.382 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H](CNC(=O)c1nc[nH]n1)C(C)C 1753839569 NBKAJDHGVMCULC-QWRGUYRKSA-N 308.386 -0.161 30 20 DBED C=CCNC(=O)CN(C)CCN(C)C(=O)c1cc(OC)no1 1753851734 OZRNUXJTLHKWDO-UHFFFAOYSA-N 310.354 -0.011 30 20 DBED Cc1cc(CC(=O)N[C@H](C)CN(C)CC(=O)NCC#N)no1 1754305415 JPEASCBPVGDPHO-SNVBAGLBSA-N 307.354 -0.398 30 20 DBED COCC#CCNC[C@H](NC(=O)CO[C@H]1CCOC1)C1CC1 1754442133 TVXALXFKUNTVST-GJZGRUSLSA-N 310.394 -0.074 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCC1(O)CN(CCCOCC)C1 1754769003 IUKDOPBTXJENKR-HNNXBMFYSA-N 323.437 -0.327 30 20 DBED CCCOCC(=O)N1C[C@@H](C)[C@@H](CNCC(=O)NCC#N)C1 1754811541 IBFAKPIJABDNSM-OLZOCXBDSA-N 310.398 -0.263 30 20 DBED C#CCNC(=O)CNC1CCN(CCNC(=O)C2CCC2)CC1 1754847738 WLIVDEKQUUOIAU-UHFFFAOYSA-N 320.437 -0.294 30 20 DBED CC#CCN1CCC[C@](CO)(NC(=O)[C@H]2CC(=O)N(CC)C2)C1 1754856455 LLAFIDBEMBZOQJ-YOEHRIQHSA-N 321.421 -0.179 30 20 DBED C#CCNC(=O)CNCC[C@H]1CCN(C(=O)[C@@H](OC)C2CC2)C1 1754912372 FAMACYSYNDLJOK-BBRMVZONSA-N 321.421 -0.011 30 20 DBED N#CCNC(=O)CNC[C@@H]1CN(C(=O)c2ccccc2)CCO1 1754994380 FUPICGGKBASYBW-CQSZACIVSA-N 316.361 -0.243 30 20 DBED C=CCN[C@@]1(CO)CCCN(C(=O)CN2CC(=O)N(C)C2=O)C1 1755090079 FPKZYRBGQHJRFV-HNNXBMFYSA-N 324.381 -0.991 30 20 DBED Cc1cnc(C(=O)N2C[C@H](C)[C@H](NCC(=O)NCC#N)C2)cn1 1755105261 FIPNDVYSYAVLOI-GXFFZTMASA-N 316.365 -0.525 30 20 DBED C#CCN1CCC(CO)(NC(=O)CN2CCCCCC2=O)CC1 1755180699 GEIBPRFYGYJDBW-UHFFFAOYSA-N 321.421 -0.035 30 20 DBED C#CCCNC[C@H]1C[C@H](NC(=O)CN2CCN(C)C(=O)C2)C1 1755474036 XHLBJUNRXLNZSU-HDJSIYSDSA-N 306.410 -0.732 30 20 DBED C#CCNC(=O)CNC1CC(N(C)C(=O)CCN(C)CC)C1 1755863396 ARLTXJUUBMUYSX-UHFFFAOYSA-N 308.426 -0.343 30 20 DBED C#CCNC(=O)CC(=O)NCC1CC(NC(=O)C(F)F)C1 1755927952 ZMLPRUAMHQRIBQ-UHFFFAOYSA-N 301.293 -0.598 30 20 DBED C=CCOCC(=O)N[C@@H](CO)CNC(=O)c1ccc(C)n1C 1756503280 DTHICUAEOYEVJA-GFCCVEGCSA-N 309.366 -0.257 30 20 DBED CC(C)C#CC(=O)NC[C@H](CO)NC(=O)[C@@H]1CN2CCC1CC2 1756517650 LZZLGYZKIINUOT-HUUCEWRRSA-N 321.421 -0.419 30 20 DBED C=CCOCC(=O)NC[C@H](CO)NC(=O)c1onc(C)c1C 1756518982 QFLVSNYYHJIBFH-LLVKDONJSA-N 311.338 -0.299 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@H](O)CN(C)C(=O)c1cn[nH]c1 1756654770 YPYPTMVBELGSAS-RISCZKNCSA-N 310.354 -0.714 30 20 DBED C[C@@H]1CN(C(=O)[C@H]2CCN(C)C2=O)C[C@H]1NC(=O)C#CC1CC1 1757068376 RHPRSUPVGXWUEZ-KWCYVHTRSA-N 317.389 -0.159 30 20 DBED CO[C@@H]1CN(C(=O)C#CC(C)C)C[C@H]1NC(=O)Cn1ccnc1 1757135157 YPWDILMSYGIGEV-ZIAGYGMSSA-N 318.377 -0.116 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(C(=O)c2cnccn2)C[C@@H]1O 1757185353 LPVBUXNLXIFGDR-OLZOCXBDSA-N 320.349 -0.629 30 20 DBED CC(C)(C)C#CC(=O)N1C[C@H](O)[C@H](NC(=O)Cn2cncn2)C1 1757213091 KKRDUFXZAPQMJU-NEPJUHHUSA-N 319.365 -0.985 30 20 DBED CO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC#N)C2 1801039109 IMGDFTLFIGGWEQ-FMSGJZPZSA-N 309.366 -0.085 30 20 DBED C#CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H](C)NC=O)CC2 1825022279 CQTUEKQMKMWZPW-IUCAKERBSA-N 320.374 -0.177 30 20 DBED N#Cc1ccc(C(=O)N2CCCC23CN(C(=O)C(O)O)C3)cc1 1844927409 MSBMEQZGFWPZQR-UHFFFAOYSA-N 315.329 -0.314 30 20 DBED C=CCC(=O)N1CCCC12CN(C(=O)CN(C)C(=O)C(=O)O)C2 1846377721 MBUMVZDKKIGTSC-UHFFFAOYSA-N 323.349 -0.691 30 20 DBED CN(C)C(=O)[C@@H]1CCCN1c1c(C#N)c(=O)n(C)c(=O)n1C 14280024 IREOZOBAJVHSPM-JTQLQIEISA-N 305.338 -0.987 30 20 DBED COc1ccc(C#N)cc1NC(=O)C(=O)N1CCNC(=O)C1 50167430 YBAFOQGLHGXJFU-UHFFFAOYSA-N 302.290 -0.536 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCOC[C@H]2C)c1=O 73586524 CQBJXCNKKYSSRD-GFCCVEGCSA-N 322.365 -0.778 30 20 DBED C#CCN1CCN(C(=O)CN(C)C2(C(N)=O)CCCC2)CC1 93211365 IOWZQFBXVZMLGC-UHFFFAOYSA-N 306.410 -0.506 30 20 DBED C=CCN(C(=O)CNC[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 152670242 PRSAMOVXZGDBLO-OLZOCXBDSA-N 316.423 -0.043 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(Cc2ccnn2C)c1=O 161281778 NYXBGYNMFROQDP-UHFFFAOYSA-N 303.322 -0.675 30 20 DBED N#Cc1ncccc1S(=O)(=O)N[C@@H]1CCCS(=O)(=O)C1 236412240 HMPKQMRHAVSEHT-SECBINFHSA-N 315.376 -0.191 30 20 DBED CC[S@](=O)[C@@H]1CCC[C@@H](N/C(=N/C)NCC(=O)NC)C1 261653152 FGDIBIQWILFJKO-HZNYWTHISA-N 302.444 -0.023 30 20 DBED C#CCCN/C(=N/C)NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 261796252 QZWASTGJFZIHSL-XDQVBPFNSA-N 314.389 -0.018 30 20 DBED C/N=C(\NCc1ccc(C(N)=O)o1)N1CCO[C@@H](COC)C1 261817205 ICIKKRIJFJPRIC-LLVKDONJSA-N 310.354 -0.199 30 20 DBED O=C(C#Cc1ccc2c(c1)OCO2)NCCN1C(=O)CNC1=O 268669716 WXJXYKJKNDSCSE-UHFFFAOYSA-N 315.285 -0.565 30 20 DBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)CN1C(=O)C(=O)N(C)C1=O 281330982 JJCGTXPQLMIPLX-ONGXEEELSA-N 309.322 -0.496 30 20 DBED CO/N=C/C(=O)N1CCN(CC(=O)Nc2cc(C)on2)CC1 283045498 SFPHOOLOZMYTMJ-RIYZIHGNSA-N 309.326 -0.302 30 20 DBED C[C@H](C/N=C(/O)Cn1ccc(O)nc1=O)CN1CCOCC1 329455630 PVNWOUBWMACBQX-LLVKDONJSA-N 310.354 -0.126 30 20 DBED CN(C)c1noc(C/N=C(/O)N[C@H]2CCc3ncnn3C2)n1 329677400 VEDFIYPZPZHAHN-QMMMGPOBSA-N 306.330 -0.254 30 20 DBED C/N=C(/O)NCC(=O)N1CCN(C(=O)c2cccnc2)CC1 330501999 BCKWPQBDZMZSNM-UHFFFAOYSA-N 305.338 -0.501 30 20 DBED COC(=O)CN1CCN(CC(=O)N/C(O)=N/C(C)(C)C)CC1 330670241 BOYCIJFKUSNITJ-UHFFFAOYSA-N 314.386 -0.394 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)NCCSCCCO)CCO1 337089850 IWGWUQWJMKSBSH-SNVBAGLBSA-N 309.413 -0.839 30 20 DBED C[C@H]1CS(=O)(=O)C[C@@H]1NS(=O)(=O)c1cccnc1C#N 341960330 GZUOWVJOTNOASF-WPRPVWTQSA-N 315.376 -0.335 30 20 DBED CN(CCO)S(=O)(=O)c1ccc(C(=O)NCCC#N)cc1 344124196 XJWYJYCERFYBLT-UHFFFAOYSA-N 311.363 -0.057 30 20 DBED C=CCOC[C@@H]1NC(=O)N(Cc2nnnn2CC2CC2)C1=O 348563505 AQHHTNYGIWDANS-JTQLQIEISA-N 306.326 -0.294 30 20 DBED Cc1nn(C)c(N2CCN(c3ccc4nnnn4n3)CC2)c1C#N 350671263 VYTHBICGPAUHEO-UHFFFAOYSA-N 324.352 -0.241 30 20 DBED C=CCn1cc(CNC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)nn1 424905943 CMKCXFAJGOWXQK-GFCCVEGCSA-N 320.397 -0.510 30 20 DBED C#CCNC(=O)[C@H](C)Nc1ccn(CC(=O)N2CCOCC2)n1 490761929 CNXMGTQKAMFENM-LBPRGKRZSA-N 319.365 -0.708 30 20 DBED C#CCNC(=O)CCNCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 491383911 MXXHWTWFGTYUQH-JURCDPSOSA-N 315.373 -0.477 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCOCC23CC3)C1=O 549013993 CXTABRBXMZQWEL-UHFFFAOYSA-N 307.306 -0.645 30 20 DBED COCCNCCNC(=O)C(=O)N1CCC(CCC#N)CC1 567880967 QCUYVUHAOOWNPP-UHFFFAOYSA-N 310.398 -0.119 30 20 DBED Cc1cc(NC(=O)C(=O)N(C[C@@H](C)O)[C@H](C)CO)ncc1C#N 575070600 CKFFWNOJQYOBDV-GHMZBOCLSA-N 320.349 -0.210 30 20 DBED C=CCOC[C@H](NC(=O)[C@@H]1CC(=O)N(C2CC2)C1)C(=O)OC 582820401 BQSHAWQRLLONHI-PWSUYJOCSA-N 310.350 -0.142 30 20 DBED N#Cc1ccc(S(=O)(=O)N2CC(N3CC[C@@H](O)C3)C2)cn1 593651273 BAHZEHVADAGTRW-GFCCVEGCSA-N 308.363 -0.607 30 20 DBED N#CCCN1CCN(C(=O)C(=O)N2CCOC[C@H]2C2CC2)CC1 601467440 UMSBMBBELCRUJM-AWEZNQCLSA-N 320.393 -0.318 30 20 DBED N#CCCN1CCN(C(=O)C(=O)NC[C@@H]2CCCCO2)CC1 602237924 FJIPHTGMICQOOF-ZDUSSCGKSA-N 308.382 -0.270 30 20 DBED CCN1C[C@H](C)N(c2c(C#N)c(=O)n(C)c(=O)n2C)C[C@@H]1C 611221700 VABYEWZKPBDUHW-QWRGUYRKSA-N 305.382 -0.125 30 20 DBED C=C[C@](C)(O)C(=O)NC[C@H](O)CS(=O)(=O)c1cccs1 612844883 IDHZDWXNAJKBSU-CABZTGNLSA-N 319.404 -0.064 30 20 DBED CC#CC[C@H](CO)NC(=O)c1cnc2c(c1)c(O)nc(=O)n2C 649191315 PNOGJMRVIIHHHL-SNVBAGLBSA-N 316.317 -0.462 30 20 DBED C=C[C@@](C)(O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C 665794611 RYMOWYGCQNZLHJ-CQSZACIVSA-N 304.306 -0.492 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@H]2C[C@H]3CC[C@H]2O3)CC1 733776025 ZSYNPGGXMFHXSE-HZSPNIEDSA-N 305.378 -0.553 30 20 DBED C=CCCC(=O)COC(=O)C1CCN(S(N)(=O)=O)CC1 761376591 MINGQQBOZMIICE-UHFFFAOYSA-N 304.368 -0.020 30 20 DBED C#C[C@H](NC(=O)[C@@H](NS(C)(=O)=O)C(C)C)[C@@H]1CCCO1 775325494 CHFKOUQUUPMJJR-SRVKXCTJSA-N 302.396 -0.143 30 20 DBED C#C[C@@H](NC(=O)C(=O)NCCCn1ccnc1C)[C@@H]1CCCO1 787657611 YATHNOAARSGZMW-KGLIPLIRSA-N 318.377 -0.005 30 20 DBED C#C[C@H](NC(=O)N1CC[C@H](S(C)(=O)=O)C1)[C@H]1CCCO1 799976404 XGGOXZVNWAJMTL-SDDRHHMPSA-N 300.380 -0.004 30 20 DBED CS(=O)(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1CNC[C@@H]1C#N 834495578 WLAJFQMLDNDKFM-HBNTYKKESA-N 300.384 -0.972 30 20 DBED C#CCN(C)CCCNC(=O)NCCS(=O)(=O)NC1CC1 837642648 ZKCYBZLYGQYUEE-UHFFFAOYSA-N 316.427 -0.678 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)Nc1ccn(CCOC)n1 850724945 VZCSTPOYMQVKPP-UHFFFAOYSA-N 322.365 -0.034 30 20 DBED N#C[C@H]1CN(C(=O)NC[C@H]2CCCNC2=O)CCN1C1CC1 868697153 DOEKURPLAADFBH-YPMHNXCESA-N 305.382 -0.106 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N1CCC(C(=O)OC)CC1 875596075 HPYMIIHSPGRYRZ-CYBMUJFWSA-N 324.377 -0.057 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N1CCNC(=O)C[C@@H]1C 875600197 WMCFQHDRBJLTPV-RYUDHWBXSA-N 309.366 -0.732 30 20 DBED C#CCSCC(=O)N(C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 895721736 IGLCGLGKVQRYLJ-SNVBAGLBSA-N 318.420 -0.886 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@@H]2CNC(=O)[C@H]2CCC(=O)N2)[nH]1 949115477 FBTPEVDSBLOLCQ-GHMZBOCLSA-N 315.333 -0.504 30 20 DBED CN(C(=O)c1cc(C#N)c[nH]1)C1CCN(C(=O)CC(N)=O)CC1 953847165 REYJKJKJVJRYHA-UHFFFAOYSA-N 317.349 -0.175 30 20 DBED Cc1nc(C)c(C(=O)NC[C@@H]2CN(CC#N)C[C@H]2O)nc1C 958240210 YRCGSKCLKIUPGV-CHWSQXEVSA-N 303.366 -0.052 30 20 DBED N#Cc1c[nH]c(C(=O)NC2[C@H]3CN(CC(=O)N4CCC4)C[C@H]23)c1 958499199 ARGPSYZZHIOBSQ-RYUDHWBXSA-N 313.361 -0.221 30 20 DBED C#CCCN1C[C@H](CNC(=O)c2cnn3cc[nH]c23)[C@@H](O)C1 958618126 IREXMSRALVRBGZ-AAEUAGOBSA-N 301.350 -0.292 30 20 DBED Cc1cc2[nH]c(=O)c(C(=O)NC3[C@H]4CN(CC#N)C[C@H]34)cn2n1 962066842 NBDLHVJSJBBKNP-UWVGGRQHSA-N 312.333 -0.485 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@H](NC(=O)C[C@H]2COC(=O)C2)C1 962280131 LVWXXEHMVKZJRA-UTUOFQBUSA-N 324.377 -0.160 30 20 DBED Cc1[nH]nc(C(=O)NC[C@H]2COCCN2C(=O)[C@@H](C)C#N)c1O 964157186 ULJGZAHVBSRFIM-WPRPVWTQSA-N 321.337 -0.459 30 20 DBED CN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CCCN(C(=O)C(N)=O)CC1 967534454 ZKDUGWKLPHCORK-NSHDSACASA-N 317.349 -0.175 30 20 DBED C[C@H]1CCN(CC#N)C[C@@H]1NC(=O)c1cc(=O)n2[nH]cnc2n1 968543512 BWEJUSAMSFOZMZ-ONGXEEELSA-N 315.337 -0.619 30 20 DBED CNC(=O)CN1C[C@H]2CC[C@H]1CN2C(=O)c1c[nH]c(C#N)c1 971292118 DYBNFHSKPWYDNO-QWHCGFSZSA-N 301.350 -0.079 30 20 DBED C=C(C)CN1CCO[C@@]2(CCN(C(=O)[C@@H]3CNC(=O)N3)C2)C1 972527065 PYQRILGNKMHBGY-WFASDCNBSA-N 308.382 -0.453 30 20 DBED Cc1nn[nH]c1C(=O)N1CC[C@@H]2CN(C(=O)[C@@H](C)C#N)[C@@H]2C1 974983722 XQIKLXZJPKTIRO-JMJZKYOTSA-N 302.338 -0.054 30 20 DBED C=CCN[C@H]1CCN(C(=O)CCc2nnc(O)nc2O)[C@@H]1C 986463724 PTJBSXQHGAEPFV-ZJUUUORDSA-N 307.354 -0.020 30 20 DBED Cc1c[nH]c(C(=O)N[C@@H]2CCN(C(=O)C#CC3CC3)C[C@H]2O)n1 991508651 MCBQREWMQKEBLK-CHWSQXEVSA-N 316.361 -0.177 30 20 DBED Cn1c(O)ncc(C(=O)N[C@]23CCC[C@H]2N(CC#N)CC3)c1=O 992101178 VQZGCXQOKLPVLE-ABAIWWIYSA-N 317.349 -0.264 30 20 DBED C#CCN1CC[C@@]2(NC(=O)CN3C(=O)CCC3=O)CCC[C@H]12 992463585 JZTPTSDULAXKEY-LRDDRELGSA-N 303.362 -0.118 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)c3nc[nH]n3)C[C@]2(C)C1 993255652 VNFPNUWEFAZPTN-RBZYPMLTSA-N 302.338 -0.115 30 20 DBED N#CCN[C@@H]1CCCN(C(=O)[C@@H]2CN3CC4CC3(CO2)C4)C1 999766131 QTTPZSBXKSQDBC-IQXANGCESA-N 304.394 -0.046 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(=O)NCCN(C(=O)[C@H]2C[C@@H]2C)CC1 1001777420 ONOOZVAXDKLSGK-AVGNSLFASA-N 320.393 -0.021 30 20 DBED C#CCCN1CCC(CNC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 1001898899 UXSLDBWESZCZBR-LBPRGKRZSA-N 306.366 -0.564 30 20 DBED O=C1CC(C(=O)N2CCN(C(=O)C#CC3CC3)CC2)CC(=O)N1 1011108224 LXZNDVSWFIEUHZ-UHFFFAOYSA-N 317.345 -0.877 30 20 DBED COCCn1cc(C(=O)N[C@H]2CCN(CC#N)C2)ccc1=O 1015092561 VKGRLBIMSLBVSY-ZDUSSCGKSA-N 304.350 -0.178 30 20 DBED C#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CCCS1(=O)=O 1017602685 ZRQAXTFPJQUNDS-BETUJISGSA-N 311.407 -0.670 30 20 DBED C=CCN1CC[C@H](N[C@H]2CCN(C(=O)c3nc[nH]n3)C2)C1=O 1019534804 RGCIQNSDAZFVJK-QWRGUYRKSA-N 304.354 -0.604 30 20 DBED C#CCN1[C@H]2CC[C@H]1CC(NC(=O)[C@H]1COCCN1C(C)=O)C2 1021464727 KJQUFTFPMLRIDE-HRCADAONSA-N 319.405 -0.022 30 20 DBED Cc1nc[nH]c1C(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1024563594 BHLSDZORGZRGAR-VXGBXAGGSA-N 302.334 -0.567 30 20 DBED CN(CC#N)[C@H]1CCCN(C(=O)C2CC3(C2)NC(=O)NC3=O)C1 1027613645 ZSQQFSNCKTVKTI-VTWZXRTESA-N 319.365 -0.579 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2CCCN2[C@@H](CC)C(N)=O)nn1 1028187832 OQCPOVSXJOTZBG-AAEUAGOBSA-N 320.397 -0.078 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2CCCN2[C@@H](C)C(N)=O)nn1 1028188069 SCQGWWDKQBQDEJ-WDEREUQCSA-N 306.370 -0.468 30 20 DBED C#CCN1CC[C@H](CNC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 1028724825 OXYZQDBTCVMHMK-LLVKDONJSA-N 314.353 -0.621 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)c3cncn3C)C2)C1=O 1030622116 GSDJFUUZSJLLQT-GFCCVEGCSA-N 303.366 -0.379 30 20 DBED C=C(C)CCN1CC(NC(=O)[C@H]2CCN(C)S2(=O)=O)C1 1031085489 PTHVXXHSDWIAML-GFCCVEGCSA-N 301.412 -0.213 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCN([C@@H]2CCCNC2=O)C1 1032837223 NZENTTRASSKSBJ-KFWWJZLASA-N 318.421 -0.447 30 20 DBED C=CCN[C@@H]1CCN(C(=O)Cn2nc(C)n(C)c2=O)C[C@H]1C 1036274420 BRVHHSPOEKNZQE-DGCLKSJQSA-N 307.398 -0.097 30 20 DBED C#CCN[C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C[C@@H]1CC 1037894090 XFMBKBBWMFYGQI-UONOGXRCSA-N 306.410 -0.732 30 20 DBED Cn1[nH]c(CN2CC[C@@H]2CNC(=O)c2c[nH]c(C#N)c2)nc1=O 1038175579 QEQHXQIINFEOAQ-LLVKDONJSA-N 315.337 -0.688 30 20 DBED C=CCCn1cc(C(=O)NC[C@H]2CCN2CC(=O)NC)nn1 1038790179 ORQBUTFROMNTCV-LLVKDONJSA-N 306.370 -0.596 30 20 DBED C#CCN1CCC[C@]2(CCN(C(=O)C[C@H]3CC(=O)NC3=O)C2)C1 1040555497 IJRBBEZVPMAVHR-DYVFJYSZSA-N 317.389 -0.013 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)c2ncccn2)C1 1040672855 DOYHMUIHTOGVFB-QMTHXVAHSA-N 303.322 -0.671 30 20 DBED O=C(NC[C@@]1(O)CCN(C(=O)C#CC2CC2)C1)c1n[nH]cc1F 1040836636 ZPMHPHIIWKWSHZ-HNNXBMFYSA-N 320.324 -0.345 30 20 DBED C[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1NC(=O)c1nccnc1N 1041802103 VUWOOAMJHFZRPS-MWLCHTKSSA-N 324.348 -0.025 30 20 DBED C=C(C)C[C@H](C)C(=O)N1CC(O)(CNC(=O)[C@H]2CCC(=O)N2)C1 1042073956 HWZHLBJAMVBIBO-NWDGAFQWSA-N 323.393 -0.443 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)C[C@H]2CCOC2)C1 1042258122 BLZDAOPEQDCXHC-CHWSQXEVSA-N 324.377 -0.859 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)[C@@H](F)CC)C1 1043043355 IZIVRRCLDMKBTP-MNOVXSKESA-N 300.330 -0.538 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)[C@H]2OCCO[C@H]2C)C1 1043650759 CIORDDAOJIJDOI-AAEUAGOBSA-N 312.366 -0.554 30 20 DBED C=C(C)CN1CC(N(C)C(=O)c2c[nH]nc2S(N)(=O)=O)C1 1043820277 NNKOLNMJGOMCOS-UHFFFAOYSA-N 313.383 -0.611 30 20 DBED C=CCN1CC[C@@H](N2CC(N(C)C(=O)[C@H]3CCN(C)C3)C2)C1=O 1044292087 IWPDIQYNUALLRQ-DZGCQCFKSA-N 320.437 -0.132 30 20 DBED C=CCN1CC[C@H](N2CCN(C(=O)C3(C(N)=O)CC3)CC2)C1 1046059081 YLPFPYOKFNHGNC-ZDUSSCGKSA-N 306.410 -0.344 30 20 DBED C=C1CC(C)(C(=O)NCC2(O)CN(C(=O)[C@H](C)NC(N)=O)C2)C1 1046306163 CMEVLACCWJQBON-JTQLQIEISA-N 324.381 -0.911 30 20 DBED C=CCCCC(=O)N1CC(O)(CNC(=O)CCc2cnn[nH]2)C1 1046804545 RRBNZASNOBHMTC-UHFFFAOYSA-N 321.381 -0.217 30 20 DBED CNC(=O)[C@@H](C)N1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C#N)c[nH]2)C1 1047338176 RGIZDQQLXIRUJY-ICCXJUOJSA-N 319.365 -0.862 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C(C)(F)F)C1 1048011223 QLZRAHWULQSGNO-DCAQKATOSA-N 318.320 -0.290 30 20 DBED C=C[C@@](C)(O)CC(=O)N(C)[C@H]1CN(C(=O)c2cnon2)C[C@@H]1O 1048762230 PUFFZPQGTMRVBR-COPLHBTASA-N 324.337 -0.960 30 20 DBED C#CCCN1C[C@@H]2CCCN(C(=O)C[C@H]3CC(=O)NC3=O)[C@@H]2C1 1050221184 UTUKHOMAODOOAJ-BFHYXJOUSA-N 317.389 -0.015 30 20 DBED CC#CCN1CCOC[C@H]1CNC(=O)c1cn(C)c(=O)cn1 1051035648 WIWVOEMZKVLKMQ-GFCCVEGCSA-N 304.350 -0.766 30 20 DBED N#CCN1CCOC[C@H]1CNC(=O)c1c[nH]nc1[C@@H]1CCOC1 1051046837 VKEVREMRJWDQDW-VXGBXAGGSA-N 319.365 -0.132 30 20 DBED C#CCCN1CCOC[C@@H]1CNC(=O)c1cccc(C(N)=O)n1 1051263847 MDSRMWVHDMIYTO-LBPRGKRZSA-N 316.361 -0.366 30 20 DBED N#Cc1ccc(N2CC[C@H](NC(=O)c3cnon3)[C@H](O)C2)nn1 1051717776 JNAZCWKIRJYWIZ-GXSJLCMTSA-N 315.293 -0.899 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)CNC(N)=O)C[C@H]1C 1051933071 CLUHQNRFQXDBOW-NEPJUHHUSA-N 308.382 -0.331 30 20 DBED C=C(C)CCN1CC2(CC[C@H](CNC(=O)[C@@H]3CNC(=O)N3)O2)C1 1053655602 NPQBQEDDFRHWMI-OLZOCXBDSA-N 322.409 -0.016 30 20 DBED C=CCCC(=O)N1C[C@H]2CN(C(=O)c3nnn(C)n3)C[C@H]2C1 1055238843 WIIIRLVNFYKUIC-PHIMTYICSA-N 304.354 -0.293 30 20 DBED N#Cc1ccc(N2CCN(C(=O)CCn3cnnn3)CC2)cn1 1055882615 DQQNCIJVQXOTFK-UHFFFAOYSA-N 312.337 -0.321 30 20 DBED C[C@@H](C#N)C(=O)N[C@]1(CO)CCCN(C(=O)c2ncccn2)C1 1056095743 DFGDPBROXBLKHV-XHDPSFHLSA-N 317.349 -0.280 30 20 DBED Cn1cnc(C(=O)N[C@H]2[C@@H]3CN(c4ccncc4C#N)C[C@@H]32)n1 1056201474 KFKAHLVIEOOLAQ-PJXYFTJBSA-N 309.333 -0.054 30 20 DBED N#Cc1nccnc1N1C[C@H]2[C@H](NC(=O)Cc3nc[nH]n3)[C@H]2C1 1056297420 OXPRCUZGWRQMIB-WOFXILAISA-N 310.321 -0.740 30 20 DBED N#Cc1nccnc1N1C[C@H]2C(NC(=O)[C@@H]3CCNC3=O)[C@@H]2C1 1056356361 UAJCTJNICXFRQM-OPRDCNLKSA-N 312.333 -0.965 30 20 DBED N#Cc1cnc(N[C@@H]2CCN(C(=O)[C@H]3CCC(=O)N3)C2)cn1 1056590851 NGECZFTVADDJAS-MWLCHTKSSA-N 300.322 -0.360 30 20 DBED CN(c1cnc(C#N)cn1)[C@@H]1CCN(C(=O)Cc2nc[nH]n2)C1 1056964382 NSHVNCHBTYYPEE-LLVKDONJSA-N 312.337 -0.254 30 20 DBED N#CCSCC(=O)N(CCO)CCNC(=O)[C@@H]1CC1(F)F 1057027062 XHVLRERHYBBGTF-VIFPVBQESA-N 321.349 -0.165 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)c1cc2n(n1)CCO2 1057173884 IEWZUVMOJSLREF-UHFFFAOYSA-N 322.365 -0.208 30 20 DBED C#CCOCCC(=O)NCCN(CCO)C(=O)c1coc(C)n1 1057421916 MMCTXRMSMPBOBK-UHFFFAOYSA-N 323.349 -0.426 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)c1cnnn1C 1057473085 FAHDXOMOIIHVCW-UHFFFAOYSA-N 307.354 -0.975 30 20 DBED N#Cc1nc(=NCC2CCN(C(=O)CC(N)=O)CC2)cc[nH]1 1057484949 YYVUWGVPEHMHBX-UHFFFAOYSA-N 302.338 -0.704 30 20 DBED O=C(NCCN(CCO)C(=O)C#CC1CC1)[C@H]1C[C@H]2CC[C@H]1O2 1057530991 ANKGGNITTZFTFC-QLFBSQMISA-N 320.389 -0.096 30 20 DBED O=C(COCC(F)F)NCCN(CCO)C(=O)C#CC1CC1 1057537972 RMLJWAURYLPMMR-UHFFFAOYSA-N 318.320 -0.381 30 20 DBED C#CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)c1[nH]cnc1C 1057587306 CMLYLTOUOBQFAM-LBPRGKRZSA-N 322.365 -0.693 30 20 DBED CCn1nc(C)cc1C(=O)N(CCO)CCNC(=O)[C@H](C)C#N 1058934622 FGYPLRFVICRSAV-LLVKDONJSA-N 321.381 -0.078 30 20 DBED C#CCOCCC(=O)NCC[C@H]1CCN(C(=O)CNC(N)=O)C1 1059121398 SZHROAJINTVKKR-LBPRGKRZSA-N 324.381 -0.951 30 20 DBED CNC(=O)CC(=O)N1CC[C@@H](CCNC(=O)C#CC2CC2)C1 1059523483 OFKPGBPPAHRLRO-CYBMUJFWSA-N 305.378 -0.109 30 20 DBED CC(C)C#CC(=O)N1CC[C@H](CCNC(=O)[C@H]2CNC(=O)N2)C1 1059611625 ZKEWNNLZZUYDPG-QWHCGFSZSA-N 320.393 -0.318 30 20 DBED Cn1cnc(C(=O)NC[C@@H]2CCCN2c2nccnc2C#N)n1 1061348183 BPGLCRWZABFWGZ-JTQLQIEISA-N 312.337 -0.124 30 20 DBED C=CCCC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1CCNC(=O)C1 1061497771 WCAOMLVAHHBUKS-OLZOCXBDSA-N 323.393 -0.178 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1COCCN1C(=O)[C@H](C)NC(N)=O 1061566605 PZGQLFRGHHPIJJ-NWDGAFQWSA-N 324.381 -0.954 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(NC(=O)c2cn(C)nn2)CCC1 1063042592 XAEVILBVLCLSNT-LLVKDONJSA-N 319.365 -0.378 30 20 DBED C[C@@H]1CN(C(=O)CC(N)=O)CC[C@H]1Nc1nccnc1C#N 1063713866 PZSPSICPTHPWDA-NXEZZACHSA-N 302.338 -0.127 30 20 DBED Cn1nncc1C(=O)N[C@H]1[C@H]2C[C@H]1N(c1ccnc(C#N)n1)C2 1064250852 MCYBOOIMTLCNLO-RWEMILLDSA-N 310.321 -0.516 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CN(C(=O)c2cn(C)c(O)n2)CCO1 1065575147 UWJIBFUQFVBJLH-UWVGGRQHSA-N 321.337 -0.757 30 20 DBED CC(C)C#CC(=O)N1CC2(C[C@@H](NC(=O)CC(N)=O)CO2)C1 1068778076 AFRNBBMGNCNZKY-LLVKDONJSA-N 307.350 -0.993 30 20 DBED CNC(=O)CC(=O)N1CC2(C[C@@H](NC(=O)C#CC(C)C)CO2)C1 1068858167 AFPVGXMBFVBZRC-GFCCVEGCSA-N 321.377 -0.732 30 20 DBED Cc1nn[nH]c1C(=O)N1C[C@H](N=c2cc[nH]c(C#N)n2)C[C@H]1C 1069183726 OVXYFCCSQTWGOQ-PSASIEDQSA-N 312.337 -0.088 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@]23COC[C@@H]2C3)C1 1069931513 HQGWLRYYAKPCBY-XFMPKHEZSA-N 303.366 -0.158 30 20 DBED C=CCOCC(=O)N1CCC[C@@H](NC(=O)c2cnnn2C)C1 1070554652 ZHAGDKHIEXRGQO-LLVKDONJSA-N 307.354 -0.262 30 20 DBED C#CCOCCC(=O)N1CCC[C@@H](NC(=O)[C@H](C)CC(N)=O)C1 1070730405 FWMINXIZBJDYKZ-CHWSQXEVSA-N 323.393 -0.355 30 20 DBED C#CCCN1C[C@H]2C[C@@H]3CN(C(=O)c4nc[nH]n4)C[C@@]3(C1)O2 1070869437 OTPFJYBZURXOQD-LALPHHSUSA-N 301.350 -0.257 30 20 DBED C[C@H](C(=O)N1CCC(=O)NCCN(CC#N)CC1)n1cncn1 1070957666 PKWZHLGEFQMSNT-GFCCVEGCSA-N 319.369 -0.987 30 20 DBED C=C(C)CN1C[C@H](NC(=O)CN2CCNC(=O)C2)CC[C@@H]1C 1071738393 BRBGPLLOWGXDTI-UONOGXRCSA-N 308.426 -0.037 30 20 DBED C=CCOCC(=O)N1C[C@H](C)[C@H](NC(=O)Cc2nc[nH]n2)C1 1071810867 DXAKYUCTKCIELR-WDEREUQCSA-N 307.354 -0.487 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](NC(=O)c2cc[nH]c2)[C@H](C)C1 1071941980 FFEHIXZPMUWTNR-DGCLKSJQSA-N 316.361 -0.269 30 20 DBED C[C@@H]1CC[C@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)CN1CC#N 1071968349 UHKIHBUTKTZLKA-MNOVXSKESA-N 321.381 -0.191 30 20 DBED C=CCCCC(=O)N[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1C 1072162148 VOMHADZYYCOPCH-VXGBXAGGSA-N 306.370 -0.008 30 20 DBED C=CCN1CC[C@H](N2CCC3(CN(C(=O)CC(N)=O)C3)C2)C1=O 1072565796 LMKWLBSOWGBJJQ-LBPRGKRZSA-N 320.393 -0.817 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(C)(NC(=O)CS(C)(=O)=O)CC1 1073228500 BQYGNOQJURDSNT-JTQLQIEISA-N 315.395 -0.312 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2CN(CCO)CCCO2)nn1 1073807507 RDFDHUNFPJWMOU-LBPRGKRZSA-N 309.370 -0.723 30 20 DBED CNC(=O)CN1C[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)[C@@H]2C1 1075699091 SIBGPGPPUQSFKC-GXFFZTMASA-N 301.350 -0.221 30 20 DBED C=CCCC(=O)NCC[C@H](C)NC(=O)CS(=O)(=O)N(C)C 1075883834 VTXHNFXIFFNXDP-NSHDSACASA-N 319.427 -0.145 30 20 DBED C=CCCN1C[C@@H]2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)[C@@H]2C1 1075896740 XEHSXHYUJFQJGM-SDDRHHMPSA-N 306.366 -0.307 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)Cc2cn3c(n2)CCCC3)C1 1077033310 SJXKHDUCSJUUPE-HUUCEWRRSA-N 316.405 -0.054 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)c2ccc3nn[nH]c3n2)C1 1077096021 VDDUTWQEESJVKY-GHMZBOCLSA-N 322.756 -0.120 30 20 DBED C[C@@H](CCNC(=O)[C@@H](C)C#N)NC(=O)c1cc(=O)n(C)cn1 1078136011 BJIKFTUBQXVFIR-UWVGGRQHSA-N 305.338 -0.435 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCS2(=O)=O)C1 1078204232 LAPSZPHHYDJFKG-UTUOFQBUSA-N 302.396 -0.699 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CO)(NC(=O)CSCC#N)CC1 1080733805 LGUHMLAXQKNPPJ-NSHDSACASA-N 324.406 -0.127 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CN(C)C(C)=O)C1 1081289884 QHFRDPAYECZTRE-QWHCGFSZSA-N 311.382 -0.634 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2ccnn2C)C1 1081322265 SMQBSSLMUWUWRE-WCQYABFASA-N 322.365 -0.828 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@@H]1O 1081336080 SYOPRXVCUKUUJC-MNOVXSKESA-N 307.354 -0.670 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)Cc2ccoc2)C[C@H]1O 1081347192 RXBCEHYVCMXLDT-UONOGXRCSA-N 322.361 -0.040 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)Cn2ccnc2)C[C@@H]1O 1081462980 IKTJSZBYKRBLPS-KGLIPLIRSA-N 318.377 -0.522 30 20 DBED CC[C@@H](C(N)=O)N1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@H](OC)C1 1081507390 SORBAZBYWVHFNT-FRRDWIJNSA-N 319.365 -0.421 30 20 DBED C=CCC(CC=C)C(=O)NC[C@H]1CN(C(=O)CC(N)=O)C[C@@H]1O 1081512497 ZFGHIJRWWDZYSQ-STQMWFEESA-N 323.393 -0.434 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2csnn2)C1 1081623050 GCAUHVOQUHCFDB-PWSUYJOCSA-N 322.390 -0.109 30 20 DBED C#CCN1C[C@@H](NC(=O)c2cnc3[nH]c(O)nc3c2)[C@H](OC)C1 1081876769 MDSSQPWQZVVXPA-VXGBXAGGSA-N 315.333 -0.274 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)c2ccnn2CC(F)F)C1 1083459290 DVVKSHYKKHOEAA-PWSUYJOCSA-N 312.320 -0.054 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2ccc3oc(O)nc3n2)C1 1083950242 BIGZRBQDRFOYJR-BDAKNGLRSA-N 303.278 -0.773 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2ccc(NC(N)=O)cc2)C1 1084026398 XKIZSJVHXPISCW-NEPJUHHUSA-N 303.322 -0.524 30 20 DBED N#CCN1CC[C@@H]2CN(C(=O)[C@@H]3CN4CC5CC4(CO3)C5)[C@@H]2C1 1084532896 UJFJFABIXWJLFS-QJNCVLDKSA-N 316.405 -0.094 30 20 DBED CC#CCN1CC[C@@H]2CN(C(=O)[C@H]3CN(C(C)=O)CCO3)[C@@H]2C1 1084805297 IJRYZKYZIQYEAB-BZUAXINKSA-N 319.405 -0.210 30 20 DBED C#CCCN1CC[C@@H]2CN(C(=O)[C@H]3CN(C(C)=O)CCO3)[C@@H]2C1 1084805419 NDRPIIDRAZABDU-BZUAXINKSA-N 319.405 -0.210 30 20 DBED CC#CCN1CC[C@@H](NC(=O)Cc2ccc(O)nc2)[C@H](O)C1 1090441048 IQDFTGCKKFLXER-ZIAGYGMSSA-N 303.362 -0.096 30 20 DBED C=CCN1CC[C@H](NC(=O)c2nc3ncccn3n2)[C@@H](O)C1 1090664132 PPCXKBLUELQVAW-QWRGUYRKSA-N 302.338 -0.525 30 20 DBED CC(=O)N[C@@H](C)C(=O)N[C@H]1CCN(c2ccnc(C#N)n2)[C@@H]1C 1091923320 XMVWZTBERCTFKX-UMNHJUIQSA-N 316.365 -0.044 30 20 DBED COCC(=O)N[C@H]1CCN(c2ncc(C#N)cc2F)C[C@H]1O 1092126548 ODXUZBGQIGLORM-NWDGAFQWSA-N 308.313 -0.205 30 20 DBED C#CCO[C@H](C)C(=O)N1CCN(c2cc(C)nc(CO)n2)CC1 1093179030 QGDCTVMHIZNSBH-CYBMUJFWSA-N 318.377 -0.036 30 20 DBED N#Cc1cncc(N2C[C@H]3C(NC(=O)C4(C(N)=O)CC4)[C@@H]3C2)n1 1093355973 IRHDVDSSTQGEHO-NXEZZACHSA-N 312.333 -0.835 30 20 DBED C#CCN1CC(OC2CCN(C(=O)[C@@]3(C)CCNC3=O)CC2)C1 1093571669 ANGZCQDIZFDXHC-KRWDZBQOSA-N 319.405 -0.162 30 20 DBED N#Cc1nccnc1NCCNC(=O)[C@@H]1CCCN1C(N)=O 1093708801 WTGVUDXUPRXWTJ-JTQLQIEISA-N 303.326 -0.581 30 20 DBED CC#CCN1CC(N2C[C@@H](NC(=O)c3ccon3)CC2=O)C1 1094710928 YNLYDIJJDUPQMU-NSHDSACASA-N 302.334 -0.287 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CC(=O)N(C3CN(CCF)C3)C2)[nH]1 1094727827 OSJYKSZYCRMJFP-LLVKDONJSA-N 319.340 -0.129 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)[C@H]3OCCO[C@H]3C)CC2=O)C1 1094747025 HJZKAGSWPKUANU-HUBLWGQQSA-N 323.393 -0.622 30 20 DBED N#Cc1cnc(NCCCNC(=O)[C@H]2CCC(=O)NC2)cn1 1094884232 PFDQRUXANXYVHA-JTQLQIEISA-N 302.338 -0.207 30 20 DBED Cn1cnn(CCC(=O)N2C[C@H]3C[C@H](NCC#N)C[C@H]2C3)c1=O 1094968279 UACGQKLEMBCCSU-RWMBFGLXSA-N 318.381 -0.535 30 20 DBED Cn1c(O)ncc(C(=O)N2C[C@H]3C[C@@H](NCC#N)C[C@H]2C3)c1=O 1094975969 HIKLQESQQAXGTH-HBNTYKKESA-N 317.349 -0.408 30 20 DBED CN(CCCNC(=O)[C@]1(C)CCNC1=O)c1ccc(C#N)nn1 1095735903 DOLADSSPMFRRJH-HNNXBMFYSA-N 316.365 -0.183 30 20 DBED COC(=O)NCC(=O)N[C@H]1CCCN(c2cncc(C#N)n2)C1 1096138047 PIBBHECXTQINCW-JTQLQIEISA-N 318.337 -0.211 30 20 DBED CCS(=O)(=O)CC(=O)N[C@H]1CCN(c2cncc(C#N)n2)C1 1096389532 IJFBCUGZEDPDTL-JTQLQIEISA-N 323.378 -0.522 30 20 DBED N#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1nccnc1C(N)=O 1096510153 QYCFQUSEGIOJJS-UTLUCORTSA-N 300.322 -0.566 30 20 DBED C[C@H](C(=O)N[C@H]1C[C@H](Nc2nccnc2C#N)C1)S(C)(=O)=O 1097112960 AQKLVSGYICGOTH-OPRDCNLKSA-N 323.378 -0.160 30 20 DBED C[C@H](CNC(=O)[C@H]1CNC(=O)N1)Nc1ncc(C#N)cc1F 1098250956 QNWVYBNGEPLFTO-GMSGAONNSA-N 306.301 -0.310 30 20 DBED C[C@@H](CNC(=O)[C@@]1(C)CCNC1=O)Nc1ccc(C#N)nn1 1098261919 VHPSMAQUWCTKNH-XPTSAGLGSA-N 302.338 -0.209 30 20 DBED N#CCNC(=O)CN1CC[C@@H](NC(=O)C2CC=CC2)[C@H](O)C1 1099743390 IYFDCSUUISTPIP-CHWSQXEVSA-N 306.366 -0.856 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2cn(C)nc2C)[C@H](O)C1 1099746873 PRTBZOZHVHETEV-LSDHHAIUSA-N 320.393 -0.457 30 20 DBED C#CCN1CC[C@@H](NC(=O)C2(COC)CCOCC2)[C@@H](O)C1 1099865714 BZKZFJOHJJIJOP-KGLIPLIRSA-N 310.394 -0.386 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)CCc2cn(C)nn2)[C@@H](O)C1 1100146992 ASNCXNMMMCBBQK-KBPBESRZSA-N 307.398 -0.125 30 20 DBED Cn1nccc1C(=O)NCC1CC(NCC(=O)NCC#N)C1 1100163997 IGFZMQNZQIIOGU-UHFFFAOYSA-N 304.354 -0.842 30 20 DBED CCN(CCNC(=O)CNC(=O)C1CC1)c1cncc(C#N)n1 1100456631 UPPSICXSOVTTOF-UHFFFAOYSA-N 316.365 -0.183 30 20 DBED CCN(CCNC(=O)Cn1cnnc1O)c1ccncc1C#N 1100498039 SAOHBSMIQBSZNS-UHFFFAOYSA-N 315.337 -0.107 30 20 DBED COCC#CCNC1CC(CNC(=O)CCc2cn(C)nn2)C1 1101076721 JQCDRVVLFAZOAW-UHFFFAOYSA-N 319.409 -0.118 30 20 DBED CC(=O)NCC(=O)NCCN(c1cncc(C#N)n1)C1CC1 1101279448 XBDNKULDLDJEKL-UHFFFAOYSA-N 302.338 -0.431 30 20 DBED C#CCO[C@H](C)C(=O)N(C)CCNc1ncnc2c1nnn2C 1101781444 QGSXMTSPVDOQCZ-SNVBAGLBSA-N 317.353 -0.333 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)c1ccc(C(N)=O)o1 1102038982 JNNRSMUYHZOWND-UHFFFAOYSA-N 314.305 -0.354 30 20 DBED C=CCCOCC(=O)NC[C@@H]1CN(Cc2nnnn2C)C[C@H]1C 1102607373 ANTKNQSVIWBPBX-CHWSQXEVSA-N 322.413 -0.013 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H](C)CNc1nccn2nnnc12 1104089477 JLYZVVCMMAMYHZ-QWRGUYRKSA-N 317.353 -0.278 30 20 DBED C[C@H](CNc1cncc(C#N)n1)N(C)C(=O)Cn1cnnn1 1104447360 ACMJGXKDFUUERY-SECBINFHSA-N 301.314 -0.706 30 20 DBED C#CCNC(=O)CC(=O)N(C)[C@H](C)CN=c1cc[nH]cc1C#N 1104530354 NFOWRKOYEHEREM-GFCCVEGCSA-N 313.361 -0.227 30 20 DBED Cc1c[nH]nc1C(=O)N1CC(n2cc(CNCC#N)nn2)C1 1105233303 SMRIDNHZGCTABL-UHFFFAOYSA-N 300.326 -0.380 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)Cn2c(O)nnc2O)C[C@H]1C 1106923213 IXRWIVLZOHOOJG-GHMZBOCLSA-N 307.354 -0.603 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)[C@H]1CCS(=O)(=O)C1 1108000786 ALODGLYCSNBCFY-ZJUUUORDSA-N 323.378 -0.879 30 20 DBED C=CCCC(=O)N[C@@H]1CC(=O)N(C2CN([C@H]3CCNC3=O)C2)C1 1108520445 UFZCRNOCKFODNP-YPMHNXCESA-N 320.393 -0.758 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)[C@@H](OC)C3CC3)CC2=O)C1 1108541297 SXQQWEUZRVEXLB-WFASDCNBSA-N 305.378 -0.554 30 20 DBED C[C@@H](CN(C)c1ncccc1C#N)NC(=O)c1nnn(C)n1 1109179019 JMRLEFJLGSXHDD-VIFPVBQESA-N 300.326 -0.269 30 20 DBED C[C@H](CN(C)c1ccc(C#N)nn1)NC(=O)[C@@H]1CCNC1=O 1109206302 UQEZYYNFKANLNY-MWLCHTKSSA-N 302.338 -0.575 30 20 DBED C[C@H](NC(N)=O)C(=O)N1CCC[C@H]1CNc1cnc(C#N)cn1 1110539625 BNDDQHZSIVXWMT-ONGXEEELSA-N 317.353 -0.192 30 20 DBED N#Cc1cnc(N2CC[C@](O)(CNC(=O)c3cc[nH]n3)C2)cn1 1111030999 BCJSGGOYNKSZIF-AWEZNQCLSA-N 313.321 -0.557 30 20 DBED C[C@H]1CN(C(=O)CNC(N)=O)C[C@H]1CNc1cnc(C#N)cn1 1111241250 RAMGORKWWRHBEK-VHSXEESVSA-N 317.353 -0.477 30 20 DBED Cc1n[nH]cc1C(=O)N(CCO)CCN=c1cc[nH]cc1C#N 1111533389 CNAHUIJRQHBXJH-UHFFFAOYSA-N 314.349 -0.047 30 20 DBED N#Cc1cccnc1N1CCOC[C@H]1CNC(=O)CC(N)=O 1111679386 KUNNOVBQULCDFW-LLVKDONJSA-N 303.322 -0.850 30 20 DBED C[C@H](NC(=O)c1cc(=O)n(C)o1)[C@@H](C)N=c1cc[nH]c(C#N)n1 1113009741 OLXDKHZDURSDEJ-BDAKNGLRSA-N 316.321 -0.319 30 20 DBED C[C@H](N=c1cc[nH]c(C#N)n1)[C@H](C)NC(=O)[C@@H]1[C@H]2COC[C@H]21 1113261145 ACXMZEPLVRKILD-MOUCOTEISA-N 301.350 -0.032 30 20 DBED C[C@H](C#N)C(=O)NC1[C@@H]2CN(Cc3ncnn3CCF)C[C@@H]12 1114066334 BMMUOJPMLNBEMO-GMTAPVOTSA-N 306.345 -0.046 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1[C@@H]2CN(Cc3ncccn3)C[C@@H]21 1114158402 WFYOIYAWDOGNRX-ATCWAGBWSA-N 313.361 -0.838 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)CCCC(=O)NC)[C@H]2C1 1114169108 ATNWFJJDJOHPGW-RYUDHWBXSA-N 322.409 -0.749 30 20 DBED N#Cc1cccnc1N1C[C@H]2CC[C@H]1CN2C(=O)CNC(N)=O 1114381792 IFPOOIPSJJFFHU-NEPJUHHUSA-N 314.349 -0.199 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)c3[nH]c(O)nc3C)[C@@H]2C1 1114436818 OGRKAPMZJDYNHH-NXEZZACHSA-N 319.365 -0.614 30 20 DBED C[C@@H](CCCNc1cnc(C#N)cn1)NC(=O)Cn1cnnn1 1114839280 WEFGWCNOKPCYDC-JTQLQIEISA-N 315.341 -0.268 30 20 DBED C[C@@H](CCCN=c1cc[nH]c(C#N)n1)NC(=O)C1(C(N)=O)CC1 1115062059 LELNTDAIGBCILS-JTQLQIEISA-N 316.365 -0.268 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)CCN3CCCC3=O)[C@@H]2C1 1115256530 WAOKPHKZLTXQEY-ZIAGYGMSSA-N 319.405 -0.305 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)COCCC=C)[C@H]2C1 1115330215 IUHWHZRIZDMOAC-NYTXWWLZSA-N 319.405 -0.237 30 20 DBED CN(C)CCN1CCC(NC(=O)C(=O)NCCCC#N)CC1 1117029087 MDWULZZCNZXOBP-UHFFFAOYSA-N 309.414 -0.451 30 20 DBED Cc1c(C(=O)NC[C@H](CO)Nc2ccc(C#N)nn2)cnn1C 1121042786 DNKFAOAAJYFAEF-LLVKDONJSA-N 315.337 -0.407 30 20 DBED N#Cc1nc(=N[C@@H](CO)CNC(=O)C2CC(F)(F)C2)cc[nH]1 1121287842 JDAGUQQXGWVDGE-SECBINFHSA-N 311.292 -0.296 30 20 DBED COC[C@@H](C)C(=O)NC[C@H](CO)Nc1nc(C)cc(C#N)n1 1121324568 PCEKQLCHJGXMRG-BXKDBHETSA-N 307.354 -0.172 30 20 DBED C=CCOCC(=O)NC[C@@H](CO)Nc1cc(C)nc(OC)n1 1121324947 SNPMYIIMCWLSGQ-NSHDSACASA-N 310.354 -0.115 30 20 DBED N#Cc1cnc(N[C@@H](CO)CNC(=O)Cn2ccnc2)cn1 1121716882 BNBJLGFEGHAPMY-LLVKDONJSA-N 301.310 -0.866 30 20 DBED Cc1c[nH]c(C(=O)NC[C@H](CO)N=c2cc(C)[nH]cc2C#N)n1 1122688042 NUFDNEXMJXLEKR-GFCCVEGCSA-N 314.349 -0.082 30 20 DBED C[C@H]1[C@@H](NC(=O)CC(N)=O)CCCN1c1ccnc(C#N)n1 1123522761 MZYROGIMCOWJPS-UWVGGRQHSA-N 302.338 -0.303 30 20 DBED CC(=O)N[C@H](C)C(=O)N(C)C[C@@H](O)CNc1ncccc1C#N 1124060204 UMDRPYHZGFCXBX-MFKMUULPSA-N 319.365 -0.291 30 20 DBED CN(C[C@@H](O)CNc1ccc(C#N)nn1)C(=O)[C@]1(F)CCOC1 1124665898 VIJQIQFGTXURFV-FZMZJTMJSA-N 323.328 -0.292 30 20 DBED C=CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H](C)CC(N)=O)C1 1129154285 NIESPPZBQHMVKS-XQQFMLRXSA-N 320.397 -0.293 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1cnn(CCF)c1 1130666106 GDMVGXSFHUJDFG-NSHDSACASA-N 309.345 -0.690 30 20 DBED C=CCOCCNCCNC(=O)C[C@@H]1CCS(=O)(=O)C1 1130991069 SWZZTNNVGLZLKL-LBPRGKRZSA-N 304.412 -0.280 30 20 DBED C#CCN[C@@H](C)C[C@@H](C)NC(=O)Cn1ccc(=O)n(C)c1=O 1134539801 FJKLBIXHDNECAK-NWDGAFQWSA-N 306.366 -0.947 30 20 DBED CC#CCN[C@@H](C)C[C@H](C)NC(=O)CN1CCC(=O)NC1=O 1135894132 XWWSUXJIEQUSHW-RYUDHWBXSA-N 308.382 -0.176 30 20 DBED C=CCCN[C@H](C)C[C@@H](C)NC(=O)CNC(=O)Cn1cncn1 1146563626 XKDUXOBLRUSVEH-CHWSQXEVSA-N 322.413 -0.157 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@@H]1CCc2nc[nH]c2C1 1146979968 LGRZEHXQDHHENN-LLVKDONJSA-N 305.382 -0.477 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)c1ncoc1C)C2 1147091319 UJRQOLSHLRVCDQ-UHFFFAOYSA-N 316.361 -0.120 30 20 DBED CC(C)OCC(=O)N1CC2(CCN(CC(=O)NCC#N)C2)C1 1147152865 MSWFARDNNDOPCE-UHFFFAOYSA-N 308.382 -0.415 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)CCOCC)C2 1147181471 ILDOAXYHLVASSQ-UHFFFAOYSA-N 307.394 -0.303 30 20 DBED COCC1(C(=O)N2CC3(CCN(CC(=O)NCC#N)C3)C2)CC1 1147899070 SKFZGLJKBUWSTB-UHFFFAOYSA-N 320.393 -0.413 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)[C@@H]2CCCN2C(C)=O)C1=O 1148436800 BLVIWWQYYAXVNR-KGLIPLIRSA-N 322.409 -0.510 30 20 DBED CC#CCN1CCCO[C@H](CNC(=O)CNC(=O)C2CC2)C1 1149255798 FYQMJJXPKBWFSR-CQSZACIVSA-N 307.394 -0.257 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(Cc2nnn(C)n2)CCCO1 1149673041 KJTACZSMGJILME-ZDUSSCGKSA-N 320.397 -0.423 30 20 DBED C=C(Br)CNCCNC(=O)CN1C(=O)CNC1=O 1150345535 WJCWUMVZTRXGLB-UHFFFAOYSA-N 319.159 -0.847 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)CN1CCCC1=O 1154510364 RZRQXDGJSASCQN-GFCCVEGCSA-N 310.398 -0.605 30 20 DBED C#CCO[C@H](C)C(=O)NCCCNCC(=O)NCC(F)(F)F 1157869880 UDNOYYLPXZEHEC-SNVBAGLBSA-N 323.315 -0.201 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1nn(C)cc1Cl 1158776471 KTISWQVNNLUCBT-UHFFFAOYSA-N 311.773 -0.468 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)c1cnc(O)cc1C 1166401964 KHQUSMAGIQIDKK-GFCCVEGCSA-N 318.377 -0.057 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@@H](CC(=C)C)NC(C)=O 1167683513 ALVGOSJFTHQPMS-CQSZACIVSA-N 324.425 -0.145 30 20 DBED C=CCNC(=O)NC(=O)CNCCCNC(=O)c1nocc1C 1170318287 YFMWRFUVMJBHGD-UHFFFAOYSA-N 323.353 -0.296 30 20 DBED C=CCC[C@H](C)NCCCNC(=O)c1cn(CC(N)=O)nn1 1176956201 ROJMMLXKVUZRHS-NSHDSACASA-N 308.386 -0.172 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@@H](N[C@H](C)C(=O)NC)C1 1183354002 LISWUCAMMQCUSJ-MCIONIFRSA-N 306.410 -0.591 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2ccnnc2C)C1 1183985108 MDAYGWOLNZQKBB-CHWSQXEVSA-N 315.377 -0.273 30 20 DBED C=CCCN[C@@H]1CCN(C(=O)C2(n3cnnn3)CCOCC2)C1 1186234082 HAAONGSPVWPXOP-CYBMUJFWSA-N 320.397 -0.055 30 20 DBED N#CCNC(=O)CN[C@@H]1CCN(C(=O)CCc2ncccn2)C1 1186473156 OOHUOPQHXAAHNR-GFCCVEGCSA-N 316.365 -0.761 30 20 DBED C=CCOCCN(C)[C@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 1191041500 SXOOYQCAQJLZFT-ZDUSSCGKSA-N 323.397 -0.683 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCCN2C)C1 1194119120 OLXXDTCOFIVZHN-RBSFLKMASA-N 309.410 -0.718 30 20 DBED C=C(C)C(C)(C)C(=O)N[C@@H]1CN(Cc2nnnn2C)C[C@H]1O 1195254999 MGZJXRBHSMIBKK-GHMZBOCLSA-N 308.386 -0.526 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@]2(C)C=CCC2)C1 1195320139 XLHAPFSPGZSNCU-IOASZLSFSA-N 307.394 -0.194 30 20 DBED C=CCNC(=O)[C@H](C)NC1CCN(C(=O)CNC(C)=O)CC1 1199152976 DHRGITLKAMGMBJ-NSHDSACASA-N 310.398 -0.606 30 20 DBED CN1C(=O)CC[C@H]1CC(=O)N1CCCO[C@@H](CNCC#N)C1 1201128487 IECZODXOOKSOLP-STQMWFEESA-N 308.382 -0.272 30 20 DBED CC#CCNC[C@H]1CN(C(=O)C[C@H]2CCC(=O)N2)CCCO1 1201621943 RGKDZTCZJJOSPN-KGLIPLIRSA-N 307.394 -0.115 30 20 DBED C#CCNC[C@@H]1CN(C(=O)[C@@H](CC(C)C)C(N)=O)CCCO1 1202249736 DPJAGBIHEOAVAD-KGLIPLIRSA-N 309.410 -0.026 30 20 DBED C=CCOCC(=O)N[C@H]1C[C@H](NCc2nnnn2C)C12CCC2 1202632946 HLLYXKAWXORFJV-RYUDHWBXSA-N 320.397 -0.070 30 20 DBED COCC#CCNCC1CCN(C(=O)CN(C)C(C)=O)CC1 1204572667 DOLJAOPNLWXPLY-UHFFFAOYSA-N 309.410 -0.057 30 20 DBED CS(=O)(=O)NCCN[C@@H]1CCCN(C(=O)C#CC2CC2)C1 1207998207 DIRIPEXVSYOLDX-CYBMUJFWSA-N 313.423 -0.470 30 20 DBED CCc1nc[nH]c1C(=O)N1CCC[C@H](NCC(=O)NCC#N)C1 1210904972 FQSZJANFVCLYAF-NSHDSACASA-N 318.381 -0.194 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN([C@@H]2CCC(=O)NC2=O)C[C@H]1C 1211420756 PJNKDJRKHNIDTR-JHJVBQTASA-N 323.393 -0.179 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)CCOC)[C@H](OC)C1 1211745586 FJCKLBKYTYQFKO-JHJVBQTASA-N 313.398 -0.471 30 20 DBED C=C(C)CN1C[C@@H](NC(=O)CS(=O)(=O)N(C)C)[C@H](OC)C1 1213798499 IDZJZYNQHUIONX-VXGBXAGGSA-N 319.427 -0.731 30 20 DBED COCC#CCN1C[C@@H](NC(=O)c2ccnc(C)n2)[C@H](OC)C1 1213863058 BGKMOMNIBQYRKP-HUUCEWRRSA-N 318.377 -0.136 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)Cc2n[nH]c(C)n2)C[C@H]1C 1214586399 XTKCHMFPQICECG-DGCLKSJQSA-N 305.382 -0.258 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2cnn[nH]2)C[C@H]1C 1215047277 LUAQQAWEJCOKRG-JFGNBEQYSA-N 306.370 -0.455 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)CC(=O)N(C)C)C[C@H]1C 1215836160 MUERPEGYHYNZJO-FRRDWIJNSA-N 322.409 -0.961 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)C2CC=CC2)C1 1219401190 QOPBUVKXUITODG-BNOWGMLFSA-N 307.394 -0.195 30 20 DBED C#CCCCCC(=O)N[C@@H]1CN(CCN2CCNC2=O)C[C@@H]1O 1219482106 LCRUMDFVDSJAGR-KGLIPLIRSA-N 322.409 -0.634 30 20 DBED C#CCCCCC(=O)N[C@@H]1CN([C@@H]2CCCN(C)C2=O)C[C@@H]1O 1219482144 MYKAABGLPCOVHW-KFWWJZLASA-N 321.421 -0.038 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(CC(=O)N(CC)CC)C[C@@H]1O 1219532233 PUMNWLOOQGVRBA-KGLIPLIRSA-N 309.410 -0.180 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)c2ccns2)C1 1219719048 ZJAWFYMBSDARMC-AXFHLTTASA-N 324.406 -0.391 30 20 DBED Cc1cc(C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@@H]2O)cs1 1220548020 SHCGTKVSHUJURA-NEPJUHHUSA-N 322.390 -0.529 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)[C@@H](C)CN2CCOCC2)C1 1220985898 JDMSXALPGGUFFC-ZNMIVQPWSA-N 311.426 -0.308 30 20 DBED COCC#CCN1CCC(CNC(=O)[C@@H]2CCCNC2=O)CC1 1223533450 JMZICUBNNDDHPK-OAHLLOKOSA-N 321.421 -0.009 30 20 DBED N#CCNC(=O)CN1CCC(CNC(=O)[C@@H]2[C@H]3COC[C@H]32)CC1 1224157686 KNETUAOPBQTRKM-NHAGDIPZSA-N 320.393 -0.653 30 20 DBED C=CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)[C@H]1CN(C)CCO1 1231378208 QOKOWWOMELUTPW-ZIAGYGMSSA-N 324.425 -0.848 30 20 DBED C=C[C@@](C)(O)CC(=O)N(C)C[C@H]1CCN1CC(=O)NC(N)=O 1233977224 MKHZCZQNCJYOLY-QMTHXVAHSA-N 312.370 -0.959 30 20 DBED C#CCNC(=O)CN(C)CCCNC(=O)CCC(=O)NCC 1235613382 OTTXVAICTMQHBU-UHFFFAOYSA-N 310.398 -0.910 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N1CC[C@@](O)(CC#N)C1 1261454214 BRPSVMOVMJNNLI-LBPRGKRZSA-N 301.368 -0.353 30 20 DBED CN(C)S(=O)(=O)NCC(=O)NC1(C#N)CCSCC1 1261735841 SSAGEISFMNXKRJ-UHFFFAOYSA-N 306.413 -0.712 30 20 DBED C=CCN1CCC(NC(=O)C(=O)N(C)[C@@H]2CCNC2=O)CC1 1323247249 RZXWWBFBBOZTKU-GFCCVEGCSA-N 308.382 -0.900 30 20 DBED C#CCSCCNC(=O)C(=O)N[C@@H](C)CS(C)(=O)=O 1323329096 GDRVGNJYDSCPOA-VIFPVBQESA-N 306.409 -0.982 30 20 DBED C#CCCS(=O)(=O)NC1CCN(CCS(C)(=O)=O)CC1 1323415754 IQBXWNZWRPEUTC-UHFFFAOYSA-N 322.452 -0.562 30 20 DBED C=CC1CCN(C(=O)C(=O)NCc2cc(C(N)=O)no2)CC1 1323532219 CCLOCBDAIMNRME-UHFFFAOYSA-N 306.322 -0.186 30 20 DBED C#CCCCCNC(=O)C(=O)N(CC)CCS(C)(=O)=O 1323643079 JOKVZAWOBSVZOV-UHFFFAOYSA-N 302.396 -0.201 30 20 DBED CNC(=O)[C@@H](C)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N 1324871702 PEKFFADBRYRHSC-MRVPVSSYSA-N 320.353 -0.301 30 20 DBED N#C[C@@]1(F)CCN(C(=O)C(=O)N2CCN([C@H]3CCOC3)CC2)C1 1327353742 PZQAVJGDXRZYAJ-WFASDCNBSA-N 324.356 -0.616 30 20 DBED C#CC1CCN(C(=O)C(=O)N2CCO[C@H](CNC(C)=O)C2)CC1 1328425063 FONIKHBLZFGLJN-CQSZACIVSA-N 321.377 -0.778 30 20 DBED CN(C)C(=O)NCCN(C)C(=O)C(=O)N1CCC[C@H](CC#N)C1 1329702195 CQHDSIHEEQGUKI-GFCCVEGCSA-N 323.397 -0.132 30 20 DBED C[C@@](C#N)(NC(=O)CN1CCC(C(=O)NCCO)CC1)C1CC1 1331855108 ICOURSPLEIZHBM-INIZCTEOSA-N 322.409 -0.385 30 20 DBED CCC(=O)N1CC[C@H](NC(=O)C(=O)N2CCC[C@H](C#N)C2)C1 1333016024 YYZITUJIPQFIAC-NEPJUHHUSA-N 306.366 -0.124 30 20 DBED C=C(C)CN(C)c1nnnn1[C@@H]1CCN(S(C)(=O)=O)C1 1334958177 KAJLEYRYGRLTRX-SNVBAGLBSA-N 300.388 -0.108 30 20 DBED C=C(C)CN(CC)c1nnnn1CCS(=O)(=O)N(C)C 1335408471 YDFPYEGJYOWDIP-UHFFFAOYSA-N 302.404 -0.033 30 20 DBED C=CCN(CC=C)c1nnc(CCN(C)S(N)(=O)=O)n1C 1339750665 PNJNIYFLKVHAON-UHFFFAOYSA-N 314.415 -0.329 30 20 DBED COCCCNC(=O)[C@@H](C#N)C(=O)c1ccc2nnc(O)n2c1 1341901574 BHFNOIVZHJXSSW-JTQLQIEISA-N 317.305 -0.090 30 20 DBED CNC(=O)[C@@H](C#N)C(=O)CN(C)S(=O)(=O)c1cccnc1 1342608981 ZJQFKMRURHBVAP-JTQLQIEISA-N 310.335 -0.843 30 20 DBED C#CCN(C)c1nnc(CN2CCC[C@H](O)C2)n1CCOC 1342900728 HMEOJJDYGJJLDU-ZDUSSCGKSA-N 307.398 -0.049 30 20 DBED C[C@@H]1CN(C(=O)NCC(=O)NCC#N)CC2(CCOCC2)O1 1346658830 OZGOKBLWVZTYOL-LLVKDONJSA-N 310.354 -0.394 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)N2CCC3(CC2)OCCO3)C1 1349330441 JQAGLFQPOVJLFJ-AWEZNQCLSA-N 323.349 -0.771 30 20 DBED C[C@H](CO)[C@@H]1CCCCN1C(=O)C(=O)N1CC[C@](O)(CC#N)C1 1350278027 DMKQDGOJQUGQNG-DVOMOZLQSA-N 323.393 -0.127 30 20 DBED CC(C)C[C@H](CNC(=O)Cn1cc(C#N)c(O)nc1=O)N(C)C 1362117563 IVRIGAHPKLRZHR-GFCCVEGCSA-N 321.381 -0.087 30 20 DBED COc1ccc(C(=O)NCCn2cc(C#N)c(O)nc2=O)cn1 1363481436 FOBPKNFKCMILPU-UHFFFAOYSA-N 315.289 -0.346 30 20 DBED CN(CCC#N)S(=O)(=O)N1CC[C@H]2COC(=O)N[C@@H]2C1 1363994897 PMOGWASZYQBXBT-VHSXEESVSA-N 302.356 -0.493 30 20 DBED N#Cc1cncc(S(=O)(=O)N2CCN(c3nc[nH]n3)CC2)c1 1364047643 SPOSAKCUPIDOPX-UHFFFAOYSA-N 319.350 -0.418 30 20 DBED CCN(CCC#N)C(=O)CN1CC[C@H](NC(=O)[C@H](O)C(C)C)C1 1365968273 BBFXUPWFGQWMMH-DZGCQCFKSA-N 324.425 -0.044 30 20 DBED C=C(Cl)CN1CC(NC(=O)[C@@H](C)NS(=O)(=O)CC)C1 1377892792 VBOBCIUDLQPXBU-SECBINFHSA-N 309.819 -0.133 30 20 DBED CC(C)NC(=O)NC(=O)[C@@H](C)N1CC(CNC(=O)[C@H](C)C#N)C1 1377959524 HQLZWAXEPCCHLV-GHMZBOCLSA-N 323.397 -0.183 30 20 DBED Cc1cc(C(=O)N[C@@H](C)CNC(=O)[C@H](C)C#N)ncc1C(N)=O 1387085764 MBFAZJNVCDYFSS-ZJUUUORDSA-N 317.349 -0.117 30 20 DBED C[C@H](CNC(=O)[C@H](C)C#N)NC(=O)c1cc(C(N)=O)ccn1 1387086093 NCVYHPFJMOGIAS-RKDXNWHRSA-N 303.322 -0.425 30 20 DBED CN(CCNC(=O)[C@@H]1CCCN1C(N)=O)c1nccnc1C#N 1387814786 XVRZOARFOZTNPD-NSHDSACASA-N 317.353 -0.556 30 20 DBED Cc1nn(CC(=O)NC[C@H](C)N(C)C(=O)[C@@H](C)C#N)c(=O)n1C 1395147885 BIIFUSNBGPTQTE-UWVGGRQHSA-N 322.369 -0.987 30 20 DBED CC(=O)NCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C#N)c[nH]1 1398820191 LBYSZPMLKNYLEK-RYUDHWBXSA-N 315.333 -0.552 30 20 DBED C[C@H](C#N)C(=O)NC1CCC(NC(=O)CCNC(N)=O)CC1 1408059345 YTEVPQDLAXWVPB-KPPDAEKUSA-N 309.370 -0.252 30 20 DBED CCN(CCNC(=O)[C@@H](C)NS(C)(=O)=O)C(=O)[C@H](C)C#N 1429708321 JKSYRWQPQTZGBP-NXEZZACHSA-N 318.399 -0.952 30 20 DBED C[C@H](C#N)C(=O)N(C)C1CCN(C(=O)Cn2cncn2)CC1 1443572038 UUKXWCLYSVQNTA-LLVKDONJSA-N 304.354 -0.113 30 20 DBED COc1cc(C(=O)N(C)C[C@@H](O)CNC(=O)[C@@H](C)C#N)on1 1444643031 KRVQDIOQZXVNFA-IUCAKERBSA-N 310.310 -0.608 30 20 DBED CCCN(C(=O)Cn1ncnn1)[C@@H]1CCN(C(=O)[C@H](C)C#N)C1 1449993464 CLKFCZIKLSPPLJ-VXGBXAGGSA-N 319.369 -0.328 30 20 DBED COCc1cc(C(=O)NC[C@@H](O)CNC(=O)[C@@H](C)C#N)no1 1452363148 WSMDTWOXNRWUMB-IUCAKERBSA-N 310.310 -0.812 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@H](NC(=O)c2ccn(CC)n2)C1 1490563498 NXTXCXKFFFYTHJ-STQMWFEESA-N 317.393 -0.155 30 20 DBED C#CCN(C)CCCNC(=O)C(=O)Nc1cnc2ccnn2c1 1516209021 KQIWTWGYSRNUFK-UHFFFAOYSA-N 314.349 -0.261 30 20 DBED C=CCn1c([C@@H](C)CO)nnc1N1CCO[C@@H](CNC(C)=O)C1 1520497020 LJSPOHQFOISNJG-AAEUAGOBSA-N 323.397 -0.099 30 20 DBED C[C@H]1CN2CCN1C[C@H]2C(=O)NCc1ccc(C(=O)NO)cc1 1528349524 WVMVJMRKADCLSN-FZMZJTMJSA-N 318.377 -0.190 30 20 DBED C#CCOCCN(C)C(=O)c1coc(S(=O)(=O)NC)c1 1529436420 XLSXVOKUJJLLKG-UHFFFAOYSA-N 300.336 -0.091 30 20 DBED Cn1cc(C(=O)O)c(NC(=O)N2CCN(C(=O)CC#N)CC2)n1 1574211109 BEJVEOSAMZJOFJ-UHFFFAOYSA-N 320.309 -0.292 30 20 DBED C=CCCC(=O)NC[C@@H]1CCN1CC(=O)NCc1cnn[nH]1 1575087943 RBDDFPZHKMUCPE-LBPRGKRZSA-N 306.370 -0.422 30 20 DBED COC(=O)C1(Cn2cnc(-c3nn[nH]n3)c2C#N)CCOCC1 1579438893 VDFMQFADIXBIMN-UHFFFAOYSA-N 317.309 -0.095 30 20 DBED C#CCN(CC(=O)O)C(=O)NC[C@@H](C(C)C)N1CCN(C)CC1 1588410724 ZGQKTXYINYVMSA-AWEZNQCLSA-N 324.425 -0.012 30 20 DBED C#CC[C@@H](NS(=O)(=O)c1cn(CC)nc1[N+](=O)[O-])C(=O)O 1588428107 BKHULARNNKGIRX-SSDOTTSWSA-N 316.295 -0.434 30 20 DBED CC(C)[C@H](CNC(=O)Cn1cc(C#N)c(O)nc1=O)C(=O)O 1588821680 STPXVZVAMOFKKO-VIFPVBQESA-N 308.294 -0.706 30 20 DBED Cc1cc(NC(=O)C(=O)NC[C@H](C)C(=O)O)n(CCC#N)n1 1594315086 WOCLZHZCUVAOAS-QMMMGPOBSA-N 307.310 -0.119 30 20 DBED Cc1nc(O)c(C#N)c(C)c1CCC(=O)N[C@H](CO)C(=O)O 1599940568 MHLQSCRMIQTYOX-LLVKDONJSA-N 307.306 -0.230 30 20 DBED N#CCCN1CCN(C(=O)C(=O)N2CCC[C@H]2CC(=O)O)CC1 1601067776 LWYFRQYDFSWNOP-LBPRGKRZSA-N 322.365 -0.490 30 20 DBED CN1CC[C@@](O)(CNC[C@@H](O)COc2ccccc2C#N)C1 1647557334 ILCFAKVHAJSBMW-GDBMZVCRSA-N 305.378 -0.046 30 20 DBED COCCN1CCN(c2nnc(C(C)(C)C#N)n2C)CC1=O 1647661390 CRASFGUGJIKWGB-UHFFFAOYSA-N 306.370 -0.089 30 20 DBED C=CCN1CCN(CCNC(=O)c2cc(C(N)=O)c[nH]2)CC1 1752375010 REGRAECUJFVPJH-UHFFFAOYSA-N 305.382 -0.353 30 20 DBED COCC#CCN[C@H](C)CNC(=O)c1nnn(C(C)(C)C)n1 1752876031 PVWUMUUDIBGITQ-LLVKDONJSA-N 308.386 -0.214 30 20 DBED C=CCOCCN[C@H](C)CNC(=O)[C@H]1CCCS1(=O)=O 1752920053 QFBJEQVOQZPLIJ-VXGBXAGGSA-N 304.412 -0.140 30 20 DBED C=CCNC(=O)[C@@H](C)NC[C@H]1CCN(C(=O)CNC(=O)CC)C1 1752932731 ROYIFXNYOGCAFH-CHWSQXEVSA-N 324.425 -0.359 30 20 DBED CCN(CCNC(=O)CSCC#N)[C@H](C)C(=O)NC(N)=O 1753078814 PTEUQZRPOLOKIK-SECBINFHSA-N 315.399 -0.735 30 20 DBED COCC#CCN1CC[C@@H](CNC(=O)c2cc(C(N)=O)c[nH]2)C1 1753136707 ZTABPEUXJMFCIB-LBPRGKRZSA-N 318.377 -0.185 30 20 DBED C=CCNC(=O)[C@H](C)N1CC(NC(=O)CNC(=O)C2CC2)C1 1753371445 MPSPOYJWWHBDBE-JTQLQIEISA-N 308.382 -0.996 30 20 DBED N#CCNC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]21 1753921927 NAUPTAYZZKWPKU-RFQIPJPRSA-N 322.409 -0.481 30 20 DBED C=CCNC(=O)CNC[C@@H](NC(=O)c1cn(C)cn1)C1CC1 1754441438 SUWCRYQKYSGTKT-GFCCVEGCSA-N 305.382 -0.180 30 20 DBED N#Cc1cc(C(=O)NC[C@H]2COCCN2CCOCCO)c[nH]1 1754965195 JYLAYZFKRURCEE-AWEZNQCLSA-N 322.365 -0.674 30 20 DBED C=CCOCCN1CCOC[C@@H]1CNC(=O)c1cnc(O)n1C 1754970244 PDDNPEGRWTZVNU-LBPRGKRZSA-N 324.381 -0.241 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)c2cc[nH]n2)C(C)(C)C1 1755137535 UVFJJGDZZYHQSG-CYBMUJFWSA-N 317.393 -0.011 30 20 DBED C=CCCOCC(=O)NC[C@H]1[C@@H]2CN(CC(=O)N(C)C)C[C@H]12 1755436320 RJAWCVGVIQMROT-ZSOGYDGISA-N 309.410 -0.039 30 20 DBED C#CCCNCCC[C@@H](C)NC(=O)Cn1nc(C)n(C)c1=O 1755524797 PEZQPODGICILBT-GFCCVEGCSA-N 307.398 -0.212 30 20 DBED C#CCNC(=O)CNC[C@H](O)CN(C)C(=O)C(C)(C)C(=C)C 1755785756 OGANJYOJLCTBOR-ZDUSSCGKSA-N 309.410 -0.253 30 20 DBED COc1cccn2ncc(C(=O)N(C)C[C@@H](O)CNCC#N)c12 1755790681 CYYCCXVJIHSNSM-NSHDSACASA-N 317.349 -0.111 30 20 DBED C=CCN(C)C[C@@H](O)CN(C)C(=O)C[C@@H]1CCCS1(=O)=O 1755803120 NNFRTWMOERMMAQ-OLZOCXBDSA-N 318.439 -0.109 30 20 DBED C=CCCC(=O)N[C@@H](C)[C@@H](C)NC(=O)CS(=O)(=O)NC 1755954579 NEGKBPNDGHMUBO-VHSXEESVSA-N 305.400 -0.489 30 20 DBED CC(C)C#CC(=O)NCCOCCN(C)C(=O)c1cnnn1C 1756373736 NKFWMRWDTASKRV-UHFFFAOYSA-N 321.381 -0.321 30 20 DBED CCOc1cc(C(=O)N[C@H](CO)CNC(=O)C#CC2CC2)[nH]n1 1756519672 NMJUUUHYQZEGOY-NSHDSACASA-N 320.349 -0.571 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)/C=C/C1CC1 1756530965 XBYDAKOMCYQZCS-JSMHICHCSA-N 319.405 -0.357 30 20 DBED C=CCCOCC(=O)N1C[C@H](NC(=O)C2(C(N)=O)CC2)C[C@@H]1C 1756593050 PTSOCUYBRSCYPB-NWDGAFQWSA-N 323.393 -0.050 30 20 DBED C=CCCCC(=O)N[C@@H]1CN(C(=O)[C@@H]2COC(=O)N2)C[C@@H]1O 1757205207 PGTUQHQAOVYPRS-VWYCJHECSA-N 311.338 -0.861 30 20 DBED C[C@H](OC(=O)Cn1cc([C@H](C)O)nn1)C(=O)N(C)CCC#N 1771643381 UTBXKPLSXOXTMM-UWVGGRQHSA-N 309.326 -0.365 30 20 DBED Cn1c(=O)ccn(CC(=O)[C@H](C#N)C(=O)NC2CCCC2)c1=O 51654185 WREZYPJQNUNVIA-NSHDSACASA-N 318.333 -0.685 30 20 DBED N#Cc1ccsc1N1CC[C@@H](N2CCO[C@@H](C(N)=O)C2)C1=O 246512356 QTIPOAAAAYPXML-GHMZBOCLSA-N 320.374 -0.089 30 20 DBED C[C@H](C(=O)N(C)CCC#N)N1CCC[C@@H](NS(C)(=O)=O)C1 249709048 CLSIYUIHXMEPSE-VXGBXAGGSA-N 316.427 -0.239 30 20 DBED COc1cc(C#N)ccc1S(=O)(=O)NCCN1CCNCC1 261628483 DJDPSPAYPWKSPR-UHFFFAOYSA-N 324.406 -0.250 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@@H](CN)C[C@@H]2C)C1=O 261688919 IJLQATUOXZIDQC-VHSXEESVSA-N 308.338 -0.841 30 20 DBED CCOC(=O)CO/N=C(/C(=O)N1CCO[C@H](C)C1)c1cc[nH]n1 276728985 SVUKOHNXWIPIBL-VFDYIDLISA-N 324.337 -0.059 30 20 DBED Cc1cc(S(=O)(=O)NCCN2C(=O)CNC2=O)ccc1C#N 277674611 CBXVIBYNLYAMRI-UHFFFAOYSA-N 322.346 -0.303 30 20 DBED C#CCn1ccc(CN(CC)C(=O)CNS(=O)(=O)CC)n1 279073596 GMNCKDUAKIEEEG-UHFFFAOYSA-N 312.395 -0.196 30 20 DBED Cc1nc2n(n1)C[C@H](NS(=O)(=O)N(C)C[C@@H](C)C#N)CC2 282792351 XSYOMZRQUGISSD-GXSJLCMTSA-N 312.399 -0.173 30 20 DBED CCOC(=O)CO/N=C(/C(=O)N(C)[C@H](C)CO)c1cc[nH]n1 285836930 ZGNIENDLEQEBQC-NGPRFVETSA-N 312.326 -0.467 30 20 DBED C=CCNC(=O)CNC(=O)[C@@H](CNC(=O)OC(C)(C)C)OC 290344766 HBWBTWYONQONPJ-SNVBAGLBSA-N 315.370 -0.056 30 20 DBED COc1nccc(N/C(O)=N/[C@H](C)C(=O)N2CCOCC2)n1 328758083 VOGSFEMSFTZVNP-SECBINFHSA-N 309.326 0.058 30 20 DBED CN(C)/C(O)=N/CCNC(=O)CS(=O)(=O)C1CCCC1 330645182 YORXRDYTBDIGFS-UHFFFAOYSA-N 305.400 -0.064 30 20 DBED CCCNC(=O)CC/N=C(/O)N[C@@H]1CCCS(=O)(=O)C1 330842831 KKLKDCUHVHHLQB-SNVBAGLBSA-N 305.400 -0.017 30 20 DBED C[C@H]1CN(S(=O)(=O)N2CCO[C@H](C#N)C2)CC(C)(C)O1 336913121 JWIGBFGVERBVKC-WDEREUQCSA-N 303.384 -0.045 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N2CC[C@]3(CCOC3)C2)CCO1 336951558 UUNWPSJOXBEFAZ-NEPJUHHUSA-N 301.368 -0.432 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N(CCO)C1CCOCC1 337132814 AODDNDNOIUGLSJ-NSHDSACASA-N 305.400 -0.204 30 20 DBED CC[C@H]1CN(CCNC(=O)[C@@H](C)n2cnc(C#N)n2)CCO1 337191761 XHAJBDSIGWVMRR-NEPJUHHUSA-N 306.370 -0.062 30 20 DBED COC[C@](C)(NS(=O)(=O)N(C)[C@H](C)CC#N)C(=O)OC 337889277 GCWRESFBRQMDEI-KOLCDFICSA-N 307.372 -0.367 30 20 DBED C=CCOCCN1CCN(S(=O)(=O)c2cc[nH]n2)CC1 339126809 UBKGNJHRQOMQBK-UHFFFAOYSA-N 300.384 -0.081 30 20 DBED CNS(=O)(=O)c1cc(C(=O)N[C@](C)(C#N)COC)co1 339436297 ANPPMAVQLGLELL-LLVKDONJSA-N 301.324 -0.154 30 20 DBED CCCCNC(=O)NC(=O)Cn1c(=O)c(C#N)cn(C)c1=O 343160130 UQLIFNWLOYAFQA-UHFFFAOYSA-N 307.310 -0.955 30 20 DBED CC[C@H](C#N)NC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 343434422 UGYHSLNBIUKGQX-QWHCGFSZSA-N 308.382 -0.415 30 20 DBED CC(C)(CCC#N)CNS(=O)(=O)N1CCS(=O)(=O)CC1 344978559 DCJBWNDGQJPFNJ-UHFFFAOYSA-N 323.440 -0.119 30 20 DBED CC(C)N(C)S(=O)(=O)CCCS(=O)(=O)N[C@@H](C)C#N 349540833 UWKNGTSFPBGOOV-JTQLQIEISA-N 311.429 -0.122 30 20 DBED N#CCNC(=O)CNC(=O)Nc1ncccc1N1CCOCC1 351923331 UCAGDUDTFOBMOZ-UHFFFAOYSA-N 318.337 -0.321 30 20 DBED COC(=O)[C@@H]1CN([C@@H](C(N)=O)c2ccc(C#N)cc2)CCO1 360287421 UTBNBMCKAIXUTA-QWHCGFSZSA-N 303.318 -0.042 30 20 DBED N#Cc1ncccc1S(=O)(=O)NCc1ccc(C(N)=O)nc1 428396261 BZSDUWHDBBLFQL-UHFFFAOYSA-N 317.330 -0.074 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)Cn2ccc(C)n2)CC1 448618345 MHKMWJXVPLFGIZ-UHFFFAOYSA-N 305.382 -0.362 30 20 DBED C#CCN1CCN(C(=O)CN2C[C@@H](C)O[C@@H](COC)C2)CC1 490711687 AYJPDIAVKLGRCF-HUUCEWRRSA-N 309.410 -0.501 30 20 DBED N#Cc1ccc(OCC(=O)NCC(=O)N2CCNCC2)cc1 517894631 DPPODJRLSDMCFK-UHFFFAOYSA-N 302.334 -0.515 30 20 DBED C=CCC[C@@H](CO)NC(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 519653852 OPUWBAQJFNKTNN-MNOVXSKESA-N 305.400 -0.353 30 20 DBED COCCn1c(N)c(C(=O)CN2CC(C)(C#N)C2)c(O)nc1=O 568167534 IDIYIQVXHGNKIP-UHFFFAOYSA-N 321.337 -0.794 30 20 DBED CN(C)S(=O)(=O)N1CCCC[C@@H]1CN=c1cc[nH]c(C#N)n1 569868004 RTFQIGTVMXDCBG-LLVKDONJSA-N 324.410 -0.157 30 20 DBED N#Cc1nccc(N2CCN(C(=O)CN3CCOCC3)CC2)n1 576705412 BARBXULSXMFPTG-UHFFFAOYSA-N 316.365 -0.671 30 20 DBED N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@H]2C[C@@H](O)C2)c1 591085487 XIEWDBFOELOTMF-PHIMTYICSA-N 309.347 -0.524 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)CNC(=O)c2ccc(O)cc2)C1 592949156 GZMRSZNIRREUFQ-OAHLLOKOSA-N 303.318 -0.001 30 20 DBED COCC[C@](C)(C#N)NC(=O)Cn1nc2n(c1=O)CCCC2 593159157 LEICKGSDFAUVIZ-CQSZACIVSA-N 307.354 -0.184 30 20 DBED CN(C)S(=O)(=O)NCCNC(=O)N1CCC[C@](C)(C#N)C1 596614359 PQYGOORRSXOGCB-GFCCVEGCSA-N 317.415 -0.282 30 20 DBED N#Cc1ncn(CC(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)n1 610883739 BMGNYAYFMPZZDF-VXGBXAGGSA-N 304.354 -0.793 30 20 DBED C=CC[C@@H](CO)CNC(=O)[C@H]1CCCN(S(N)(=O)=O)C1 613252216 DBIZYLNTZMTIMH-MNOVXSKESA-N 305.400 -0.797 30 20 DBED C=CCN1CC[C@@H](n2cc(CN3CCN(C)CC3)nn2)C1=O 641109750 UTPQSZDSWYEPFL-CQSZACIVSA-N 304.398 -0.015 30 20 DBED N#CCOC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 734039070 HZUYSDSUMZVILW-VIFPVBQESA-N 323.330 -0.246 30 20 DBED N#CCn1cc(NC(=O)C(=O)N2CCN(CC3CC3)CC2)cn1 746377748 MXYWFBCWINMQII-UHFFFAOYSA-N 316.365 -0.101 30 20 DBED C#CCNC(=O)CN1C(=O)N[C@@](CC)(c2cnn(C)c2)C1=O 755834499 CHAYVFRDFFGDOW-AWEZNQCLSA-N 303.322 -0.673 30 20 DBED C=CCS(=O)(=O)CCNC(=O)COCc1ccnn1C 790936637 SEUKPVZGSBFQCT-UHFFFAOYSA-N 301.368 -0.346 30 20 DBED C#C[C@H](NC(=O)C(=O)NCc1ccnc(C)n1)[C@@H]1CCCO1 793763676 ZWWQLSQQAJDCAI-STQMWFEESA-N 302.334 -0.302 30 20 DBED CCN(CC(=O)NC)S(=O)(=O)N(CCC#N)CCOC 800008342 YMBCRAYRBOEMMP-UHFFFAOYSA-N 306.388 -0.839 30 20 DBED C#C[C@H](NC(=O)C(=O)N(CCO)C1CCOCC1)[C@@H]1CCCO1 809310665 DGEGMXZUGRRRJY-KBPBESRZSA-N 324.377 -0.717 30 20 DBED N#Cc1nc(NC(=O)C(F)(F)C2(O)CCC2)[nH]c1-c1nn[nH]n1 826382891 ZIVMCZCEQVYUNF-UHFFFAOYSA-N 324.251 -0.050 30 20 DBED CCS(=O)(=O)N[C@H](C)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 827384404 RSFGYRDPBRNLKZ-ZYHUDNBSSA-N 314.411 -0.487 30 20 DBED C=C[C@H](O)C(=O)NC[C@@H]1CSCCN1C(=O)[C@@H](O)C=C 831581798 QTYALWDYKMJZDT-VWYCJHECSA-N 300.380 -0.860 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCC(CCN)CC1)[C@H]1CCCO1 846330246 PHPMAORLCUBDRY-UONOGXRCSA-N 307.394 -0.129 30 20 DBED Nc1ncnc2c1ncn2CCC(=O)N[C@@H]1CCCN(O)C1=O 854648611 GLCSBYLOZYXKIR-MRVPVSSYSA-N 319.325 -0.705 30 20 DBED C#CCCS(=O)(=O)N1CCC(C(=O)NCCOC)CC1 884908296 JFRKYDSNNHEJHF-UHFFFAOYSA-N 302.396 -0.186 30 20 DBED COCCCNC(=O)[C@H](C#N)C(=O)CCCN1C(=O)CCC1=O 916870126 AWMOHCGZZRUWMS-LLVKDONJSA-N 323.349 -0.223 30 20 DBED CCCCCNC(=O)[C@H](C#N)C(=O)CN(C)S(C)(=O)=O 916877966 NGOINTOPJBDNLW-SNVBAGLBSA-N 303.384 -0.107 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)[C@@H]3COCCO3)C2)[nH]1 937841329 ZUYDFJFXARXMOE-AAEUAGOBSA-N 318.333 -0.368 30 20 DBED Cc1cc(C(=O)NC[C@H]2CN(C(=O)[C@H](C)C#N)CCO2)n[nH]1 944504221 RGGRQBJXXMTSDK-KOLCDFICSA-N 305.338 -0.165 30 20 DBED C=CC(C)(C)C(=O)N1CCO[C@@H](CNC(=O)c2cnnn2C)C1 944578279 DJJMQYOKDLLBOX-NSHDSACASA-N 321.381 -0.016 30 20 DBED CC#CCN1CC[C@@H](NC(=O)Cn2ncn(C)c2=O)C[C@@H]1C 947463692 LHMXJAZZIAECQF-QWHCGFSZSA-N 305.382 -0.426 30 20 DBED C#CCCN1CC(N(CC)C(=O)c2cc(=O)n3[nH]cnc3n2)C1 957134541 RYZKBTMADYZLJZ-UHFFFAOYSA-N 314.349 -0.413 30 20 DBED N#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cc(C(F)F)ncn2)C1 958179030 GLVFBDJQVNFJKY-GZMMTYOYSA-N 311.292 -0.040 30 20 DBED C=CCCN1C[C@@H](O)[C@@H](CNC(=O)c2cn(C)c(=O)n2C)C1 958735629 DTFBKRPODKVKPU-WCQYABFASA-N 308.382 -0.678 30 20 DBED C=CCCn1cc(C(=O)N[C@@H]2CN(C(=O)C3CC3)C[C@@H]2O)nn1 964300875 XJCIFDOONMOXHQ-YPMHNXCESA-N 319.365 -0.434 30 20 DBED C[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1NC(=O)c1cnn[nH]1 966338666 VLBIHEGDEVSVFX-UFBFGSQYSA-N 313.321 -0.105 30 20 DBED C#CCN1CC[C@H](C)[C@H](NC(=O)Cn2nc(C)n(C)c2=O)C1 968596591 KGTZCJKCRBZQSK-WCQYABFASA-N 305.382 -0.650 30 20 DBED C=CCN1CC[C@@H](N2CC([C@@H](C)NC(=O)c3cnn[nH]3)C2)C1=O 970025896 AGABJJDTQNQYRH-ZWNOBZJWSA-N 318.381 -0.358 30 20 DBED C#CCCN1CCO[C@]2(CCN(C(=O)[C@@]3(C)CNC(=O)C3)C2)C1 972479873 DLTGDYVUKZXHIV-IAGOWNOFSA-N 319.405 -0.161 30 20 DBED C#CCN1C[C@H]2C(CNC(=O)c3ccn(CCN(C)C)n3)[C@@H]2C1 978187017 XYRPKDPWEWYORC-GJZGRUSLSA-N 315.421 -0.015 30 20 DBED C#CCN1C[C@@H]2C(CNC(=O)c3ccnc4c3nnn4C)[C@H]2C1 978640275 KXOOIFMCLWHSRD-CHWSQXEVSA-N 310.361 -0.096 30 20 DBED N#CCN1C[C@H]2[C@H](CNC(=O)C3CCS(=O)(=O)CC3)[C@H]2C1 978823429 JHVJCQVWSUJONA-XYYAHUGASA-N 311.407 -0.371 30 20 DBED N#Cc1ccc(C(=O)NC2CN(C(=O)CCc3nc[nH]n3)C2)[nH]1 990886593 BQGRHZKHPWLMLX-UHFFFAOYSA-N 313.321 -0.422 30 20 DBED C#CCN1CC[C@@]2(NC(=O)CN3C(=O)CCC3=O)CCC[C@@H]12 992463592 JZTPTSDULAXKEY-WBMJQRKESA-N 303.362 -0.118 30 20 DBED C=CCn1cc(C(=O)N2CC(NC(=O)[C@@H]3CCO[C@H]3C)C2)nn1 998403504 IQISPVFQFPZJCE-CMPLNLGQSA-N 319.365 -0.170 30 20 DBED C[C@H](C#N)C(=O)N1CC(NC(=O)[C@H]2CCCS(=O)(=O)C2)C1 1000278126 SJJGAENHASPCIU-ZJUUUORDSA-N 313.379 -0.702 30 20 DBED C#CCN1CCC(CNC(=O)[C@@H]2CN(C(C)=O)CCO2)CC1 1002095797 IPQXAYVEQPVGJR-HNNXBMFYSA-N 307.394 -0.305 30 20 DBED C[C@H]1C[C@H](CNC(=O)c2c[nH]c(C#N)c2)CN1C(=O)C(N)=O 1010286179 VBOQDXLGGACRAE-DTWKUNHWSA-N 303.322 -0.662 30 20 DBED C=CCn1cccc1C(=O)N1CC[C@H](NC(=O)C(N)=O)[C@@H]1C 1011832553 JOXIFYZUVFGMNN-QWRGUYRKSA-N 304.350 -0.121 30 20 DBED C=CCN1CCC2(CC1)C[C@H]2NC(=O)CN1CCNC(=O)C1 1016762180 XCCOXJNMRKYTNG-CYBMUJFWSA-N 306.410 -0.425 30 20 DBED C=CCN1CC[C@H](N[C@H]2C[C@H](NC(=O)c3cn(C)nn3)C2)C1=O 1020126388 OCBXMOVMTQRIHE-SRVKXCTJSA-N 318.381 -0.548 30 20 DBED C#CCN1[C@H]2CC[C@H]1CC(NC(=O)CN1CC(=O)NC1=O)C2 1021412643 GWZLMDIHRSOURD-RYUDHWBXSA-N 304.350 -0.717 30 20 DBED O=C1N[C@@H](C(=O)N2CC[C@H]3CN(C(=O)C#CC4CC4)C[C@H]32)CO1 1021518038 QJNLJLAAJOMESC-YNEHKIRRSA-N 317.345 -0.433 30 20 DBED CC#CCN1[C@H]2CC[C@H]1CN(C(=O)[C@@H]1CC(=O)NC(=O)N1)C2 1029494748 QNOKIWRZFDYDAF-SRVKXCTJSA-N 304.350 -0.717 30 20 DBED C#CCN1CC2(CCN(C(=O)c3cnc(O)n(C)c3=O)CC2)C1 1035764925 XKZWJBYWQAUEOQ-UHFFFAOYSA-N 316.361 -0.343 30 20 DBED C[C@H]1CN(C(=O)c2nccnc2C(N)=O)CC[C@@H]1NCC#N 1036286665 RHHAJWBRYMAINW-UWVGGRQHSA-N 302.338 -0.461 30 20 DBED C=C(C)CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)CN1C(=O)CNC1=O 1037723415 UNPCQFHAVVDYNE-SUNKGSAMSA-N 306.366 -0.307 30 20 DBED CC#CCN1CC[C@H]1CNC(=O)c1coc(S(N)(=O)=O)c1 1038432478 PGNYKRBSCKIXKZ-NSHDSACASA-N 311.363 -0.246 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)CCc2ncc[nH]2)C1 1039590874 NSEOIMTYNGLNFG-ABAIWWIYSA-N 319.365 -0.418 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)c2ccn(C)n2)C1 1039760804 UESOTRDRIHATGX-IINYFYTJSA-N 305.338 -0.727 30 20 DBED C[C@H]1[C@@H](N=c2cc[nH]c(C#N)n2)CCN1C(=O)c1ncn(C)n1 1040114664 AXIWUXJPCHFTGC-UWVGGRQHSA-N 312.337 -0.386 30 20 DBED COCC(C)(C)C(=O)NC[C@]1(O)CCN(C(=O)[C@@H](C)C#N)C1 1040296270 NETWADDBMUEIDI-XHDPSFHLSA-N 311.382 -0.102 30 20 DBED N#Cc1nccnc1N1C[C@@H](O)[C@H](NC(=O)c2nccs2)C1 1041142997 FGFBERLGLLQAGJ-NXEZZACHSA-N 316.346 -0.216 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)C(=O)NCC(F)F)C1 1041963567 TXKVHSCWIDMNCY-UHFFFAOYSA-N 319.308 -0.977 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)COCCOC)C1 1042122468 FJOCOUOXXWLAJJ-UHFFFAOYSA-N 312.366 -0.858 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)c2cn(C)cn2)C1 1042547114 LUXDVPQRQMMQTF-UHFFFAOYSA-N 304.350 -0.473 30 20 DBED CN(C(=O)c1cc(C#N)c[nH]1)C1CN(Cc2nc(=O)n(C)[nH]2)C1 1042589109 FDGJPWDBFZWAMO-UHFFFAOYSA-N 315.337 -0.735 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)c2ncccc2O)C1 1042716556 SBYIRSCUMVVJIB-UHFFFAOYSA-N 317.345 -0.250 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)C(=O)NCC2CC2)C1 1042799051 JBNXVVFJRFOPSM-UHFFFAOYSA-N 321.377 -0.994 30 20 DBED O=C(C#CC1CC1)NCC1(O)CN(C(=O)c2cnccn2)C1 1042957958 CABVGMZLTWWBFH-UHFFFAOYSA-N 300.318 -0.807 30 20 DBED CC#CCCCC(=O)N1CC(O)(CNC(=O)c2cnn[nH]2)C1 1043817117 VNWBFOOXZJNLJB-UHFFFAOYSA-N 305.338 -0.699 30 20 DBED Cc1ncoc1C(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1043904365 ALDRRVWAMIJFEY-MNOVXSKESA-N 314.305 -0.376 30 20 DBED N#Cc1cc(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)N(CC(N)=O)C3)c[nH]1 1047053092 SAHPQDGFYATDHO-GAFUQQFSSA-N 301.350 -0.046 30 20 DBED CC(=O)N1C[C@@H](N=c2cc[nH]c(C#N)n2)[C@H](c2cnn(C)c2)C1 1047640349 XJFNNHKGUCXVCU-QWHCGFSZSA-N 311.349 -0.070 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2CN(CC(N)=O)C[C@@H]2C1 1048826938 PAECHOVTCYZDLT-RQJABVFESA-N 307.394 -0.157 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[C@H]2C(N)=O)C1 1049560394 RRWJBGVIPBYNGV-RHYQMDGZSA-N 309.366 -0.896 30 20 DBED CC#CCN1C[C@@H]2CCCN(C(=O)C[C@H]3CC(=O)NC3=O)[C@@H]2C1 1050220049 IVIWCYUUOOJNCD-BFHYXJOUSA-N 317.389 -0.015 30 20 DBED C=CCCN1CCOC[C@@H]1CNC(=O)[C@@H]1CCS(=O)(=O)C1 1051012119 TYJSHVZNMQMMLV-OLZOCXBDSA-N 316.423 -0.186 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)c1cn(CC2CC2)nn1 1051189527 PSDNCOXJTRKDRY-CYBMUJFWSA-N 303.366 -0.248 30 20 DBED N#Cc1ccc(N2CC[C@H](NC(=O)c3nc[nH]n3)[C@H](O)C2)nc1 1051711301 IDOORFGPZZDGCM-WDEREUQCSA-N 313.321 -0.559 30 20 DBED CC#CCN1CCN([C@H]2CCN(C(=O)c3cnnn3C)C2)CC1 1052023263 RGUMPCQMCCRYPZ-AWEZNQCLSA-N 316.409 -0.330 30 20 DBED CN(C)Cc1cc(C(=O)N[C@H]2COC3(C2)CN(CC#N)C3)no1 1053853932 QLWLEAOVWQLQAL-LLVKDONJSA-N 319.365 -0.167 30 20 DBED CCN1CCOC[C@H]1C(=O)N[C@@H]1COC2(C1)CN(CC#N)C2 1053854099 RYSQVSDCBHPOMS-STQMWFEESA-N 308.382 -0.810 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)CN3CCCNC3=O)CO2)C1 1053857483 GEDGVBAUZBTPTC-ZDUSSCGKSA-N 320.393 -0.616 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)[C@]3(C)CCC(=O)NC3)CO2)C1 1053903079 LXILSZZVNWNDJB-XJKSGUPXSA-N 319.405 -0.115 30 20 DBED C=CCCn1cc(C(=O)N[C@H]2COC3(C2)CN(CCO)C3)nn1 1053951468 WIESUYQTWONWAS-GFCCVEGCSA-N 321.381 -0.580 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)C[C@@H]3CCC(=O)N3)CO2)C1 1053954373 OTTPTGKIUNGVPL-QWHCGFSZSA-N 305.378 -0.362 30 20 DBED C[C@H]1CN(C(=O)Cn2nnc(-c3ccco3)n2)C[C@H]1NCC#N 1054837880 GZQVTVOBVJIJIE-WDEREUQCSA-N 315.337 -0.107 30 20 DBED N#Cc1cnc(N2CCN(C(=O)C3=COCCO3)CC2)cn1 1055712502 LLIFFLHYBBHMHB-UHFFFAOYSA-N 301.306 -0.115 30 20 DBED Cc1cc(C(=O)N[C@@]2(CO)CCCN(C(=O)[C@@H](C)C#N)C2)n[nH]1 1055803541 CZWLUVQXRWUQQC-BONVTDFDSA-N 319.365 -0.039 30 20 DBED CO[C@H](C)C(=O)N[C@]1(CO)CCCN(C(=O)C#CC2CC2)C1 1055807455 YSFCLQCHKAWIFY-MLGOLLRUSA-N 308.378 -0.096 30 20 DBED N#Cc1ccc(N2C[C@H]3C(NC(=O)Cc4ncc[nH]4)[C@@H]3C2)nn1 1056277646 UPAHTIXKNGTGDK-GHMZBOCLSA-N 309.333 -0.135 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)c1cc[n+]([O-])cc1 1056880742 RFXSJHFHBKETCI-UHFFFAOYSA-N 319.361 -0.470 30 20 DBED C#CCOCCC(=O)N(CCO)CCNC(=O)c1[nH]ccc1C 1057580532 DUJMAXUWFMVHLK-UHFFFAOYSA-N 321.377 -0.086 30 20 DBED C#CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)[C@H](C)OCC#C 1057584119 FOVXTDHQURDKMM-KBPBESRZSA-N 324.377 -1.000 30 20 DBED C#CCO[C@H](C)C(=O)NCCN(CCO)C(=O)c1c[nH]cc1C 1057633877 UIKCGYYQUPYMMM-CYBMUJFWSA-N 321.377 -0.088 30 20 DBED N#Cc1cncc(N[C@H]2CCCN(C(=O)Cn3ncnn3)C2)n1 1057697920 MLUPAEFUKZOYOE-JTQLQIEISA-N 313.325 -0.562 30 20 DBED C#Cc1ccc(C(=O)N(CCO)CCNC(=O)[C@@H](C)OC)nc1 1058238906 XAONLYVMXSDHBJ-GFCCVEGCSA-N 319.361 -0.352 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)CCN(C)CC 1058817992 ZADXFRPMGSDHED-UHFFFAOYSA-N 315.414 -0.532 30 20 DBED C=CCOCC(=O)N1CC[C@H](CCNC(=O)c2cnnn2C)C1 1059335002 KOKNRNVLRRQWPW-LBPRGKRZSA-N 321.381 -0.014 30 20 DBED C#CCCCCC(=O)NC[C@H]1COCCN1C(=O)CC(N)=O 1061514370 DGVDYDHKHNIKDQ-LBPRGKRZSA-N 309.366 -0.601 30 20 DBED C#CCCCC(=O)NC[C@@H]1COCCN1C(=O)Cn1nccn1 1061538517 PJARFBZOTQIVJL-CYBMUJFWSA-N 319.365 -0.575 30 20 DBED Cc1ccnn1CC(=O)NC[C@H]1COCCN1C(=O)[C@H](C)C#N 1061592062 MMOLZBLHRKFCFV-YPMHNXCESA-N 319.365 -0.305 30 20 DBED COCCOCC(=O)N1CCOC[C@@H]1CNC(=O)[C@H](C)C#N 1061845533 ISXIVFLEAWMEMX-NEPJUHHUSA-N 313.354 -0.847 30 20 DBED C#CCOCCC(=O)NC[C@H]1CCCCN1C(=O)CNC(C)=O 1061976510 YIOJMOYOBGMAHK-CQSZACIVSA-N 323.393 -0.340 30 20 DBED C#CCNC(=O)CC(=O)NCC1(NC(=O)c2ccc[nH]2)CCC1 1062829458 NGFMWFFGOJBVSZ-UHFFFAOYSA-N 316.361 -0.077 30 20 DBED C=CCOCC(=O)N1CCO[C@H](CNC(=O)COC(C)C)C1 1064977908 YKRODXADZFBDCF-CYBMUJFWSA-N 314.382 -0.042 30 20 DBED Cc1ccn(CC(=O)N2CCO[C@H](CNC(=O)[C@H](C)C#N)C2)n1 1065630021 NUFQTALLJKDNIM-DGCLKSJQSA-N 319.365 -0.305 30 20 DBED CC(C)C#CC(=O)N(C)CCCN(C)C(=O)[C@@H]1CNC(=O)N1 1067359748 BUWGPWZCSPQCBB-LBPRGKRZSA-N 308.382 -0.366 30 20 DBED CCN(C)CCC(=O)N1CC2(C[C@H](NC(=O)[C@H](C)C#N)CO2)C1 1069007767 KJYQWGNELMSORZ-OLZOCXBDSA-N 322.409 -0.026 30 20 DBED C[C@@H]1C[C@H](Nc2nccnc2C#N)CN1C(=O)Cn1ncnn1 1069151688 IHGWNYJHXUREJD-ZJUUUORDSA-N 313.325 -0.564 30 20 DBED C#CCO[C@@H](C)C(=O)NC1(CC)CCN(C(=O)CC(N)=O)CC1 1069265051 BGORTHLYFXEYRV-LBPRGKRZSA-N 323.393 -0.213 30 20 DBED N#CCN1CCNC(=O)CCN(C(=O)[C@]2(F)CCOC2)CC1 1070991232 IWZIWYOAWDZHOW-AWEZNQCLSA-N 312.345 -0.711 30 20 DBED C=CCN1CCN([C@H]2CCCN(C(=O)c3nc[nH]n3)C2)C(=O)C1 1071275569 KLVIVRQYPYCJBC-LBPRGKRZSA-N 318.381 -0.261 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(C(=O)CC(C)(C)O)C[C@@H]1C 1071987052 BWHAPXOGTUDZTQ-NWDGAFQWSA-N 323.393 -0.750 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC(C)(NC(=O)CNC(C)=O)CC1 1073024401 WAEZZTYOMWUFKS-GFCCVEGCSA-N 323.393 -0.342 30 20 DBED C[C@H](C#N)C(=O)N1CCC(C)(NC(=O)CCNC(N)=O)CC1 1073229863 JRGMPRXATMJQDL-SNVBAGLBSA-N 309.370 -0.298 30 20 DBED CC#CCN1CCO[C@@H]2CCN(C(=O)c3cnnn3C)C[C@H]21 1074232462 ABCALNDVJZRIOU-ZIAGYGMSSA-N 303.366 -0.246 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](NC(=O)CCOC)C[C@H]1C 1074756636 KCUJCSUJVMPNAM-CHWSQXEVSA-N 323.393 -0.342 30 20 DBED C[C@@H]1C[C@@H](NC(=O)CC(N)=O)CCN1C(=O)c1c[nH]c(C#N)c1 1074909948 SCPSTQXDXWQXQY-KOLCDFICSA-N 317.349 -0.129 30 20 DBED C#CCO[C@@H](C)C(=O)NCC[C@H](C)NC(=O)c1cnnn1C 1076510156 FKOKXHHJXSJXKL-QWRGUYRKSA-N 307.354 -0.522 30 20 DBED N#CCN1C[C@@H]2CCN(C(=O)C3CCN(C(N)=O)CC3)[C@@H]2C1 1076551208 RWCOZYXQOSCBMB-QWHCGFSZSA-N 305.382 -0.167 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2cn([C@H](C)COC)nc2C)C1 1076996526 BMTAVYCEKNCVTM-KCPJHIHWSA-N 320.393 -0.193 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)c1cnco1 1077562669 QMBMAPFPEWTHFS-JTQLQIEISA-N 306.322 -0.561 30 20 DBED C[C@@H](CCNC(=O)c1ccn2nnnc2c1)NC(=O)[C@H](C)C#N 1077713097 FECJWYREHMGZHE-ZJUUUORDSA-N 315.337 -0.091 30 20 DBED N#Cc1cccc(CN2C[C@@H](O)[C@H](NC(=O)c3nc[nH]n3)C2)c1 1077862862 YAQJVCOMQLVQTD-CHWSQXEVSA-N 312.333 -0.349 30 20 DBED C=CCN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)c1cn(CC(N)=O)nn1)C2 1079114180 ZOPTWGTXUUBFQG-NQBHXWOUSA-N 318.381 -0.468 30 20 DBED C#CCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)[C@H]2CCNC2=O)C1 1079775071 RVAUUJAAYBYERA-AAEUAGOBSA-N 321.377 -0.780 30 20 DBED CCN(C(=O)Cn1ncnn1)C1CN(C(=O)C#CC(C)(C)C)C1 1079829364 IUNCXLGUFDKECS-UHFFFAOYSA-N 318.381 -0.218 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1O 1081336079 SYOPRXVCUKUUJC-GHMZBOCLSA-N 307.354 -0.670 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2cc(C)no2)C[C@@H]1O 1081343934 JTNAVQCEMNAEHM-RYUDHWBXSA-N 323.349 -0.265 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2ccncn2)C[C@@H]1O 1081344743 UNLHLFGHZTVIAU-YPMHNXCESA-N 320.349 -0.772 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)C(C)(C)F)C[C@@H]1O 1081344853 VUVGPGMJGJSSKG-MNOVXSKESA-N 302.346 -0.127 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2ncc[nH]2)C[C@@H]1O 1081346256 GBFJTZOLOMNXKO-QWRGUYRKSA-N 308.338 -0.839 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)Cc2ncc[nH]2)C[C@H]1O 1081439336 OPBVLHPJDZHVCP-CHWSQXEVSA-N 318.377 -0.309 30 20 DBED CC1(C(=O)NC[C@H]2CN(C(=O)CSCC#N)C[C@@H]2O)CC1 1081539954 UFQKRJQEJWHGIP-QWRGUYRKSA-N 311.407 -0.021 30 20 DBED C#CCCN1C[C@@H](NC(=O)[C@]2(C)CCC(=O)NC2)[C@H](OC)C1 1082050900 AEKBKCPANXYZPX-XJKCOSOUSA-N 307.394 -0.259 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)C[C@H]2CCC(=O)NC2)C1 1083519976 QPTUHJPEZWNYNW-UTUOFQBUSA-N 315.801 -0.184 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCc3nc(C)nn3C2)C1 1083662618 AWJQRPZZFVWVPF-MJBXVCDLSA-N 317.393 -0.666 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](NC(=O)c2cn(C)c(=O)nc2O)C1 1084051372 IFUXNUUAJIXCPL-NEPJUHHUSA-N 322.365 -0.773 30 20 DBED C#CCN[C@@H]1CC[C@H](CNC(=O)[C@H]2CC(=O)N(CCOC)C2)C1 1086710617 GPVVTFSEFRZOGB-SOUVJXGZSA-N 321.421 -0.011 30 20 DBED N#CCN[C@@H]1CCCCCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 1088428691 ZFRRVPMDZAKUOV-NEPJUHHUSA-N 314.411 -0.438 30 20 DBED N#Cc1ccc(N2CCCO[C@H](CNC(=O)CC(N)=O)C2)cn1 1089532479 QKXVSLCDMIYLKR-CYBMUJFWSA-N 317.349 -0.460 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2cnc(C)nc2OC)[C@H](O)C1 1090310643 MPHDAXPTVOKMPI-UONOGXRCSA-N 318.377 -0.018 30 20 DBED N#CCN1CC[C@@H](NC(=O)Cc2cnn3ccccc23)[C@@H](O)C1 1090330429 WDRZSZZLWDYVON-HIFRSBDPSA-N 313.361 -0.048 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2cnc3nccnc3c2)[C@@H](O)C1 1090332036 QGRANZMNXUTPMH-YPMHNXCESA-N 312.333 -0.287 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2cccc3ncnn23)[C@H](O)C1 1090401030 ZPXCILPNOQCYSB-TZMCWYRMSA-N 313.361 -0.082 30 20 DBED Cc1cnc2c(C(=O)N[C@@H]3CCN(CC#N)C[C@H]3O)cnn2c1 1090612450 NELSBWVYBCDPGI-CHWSQXEVSA-N 314.349 -0.274 30 20 DBED C#CCN1CCC(C(=O)N[C@H]2CCN(CC#C)C[C@H]2O)CC1 1090830903 QNRFBLGUUBGKNC-JKSUJKDBSA-N 303.406 -0.484 30 20 DBED CCNC(=O)CC(=O)NCCNc1cc(C#N)nc(CC)n1 1093558565 BRWTTWNIJGHCJK-UHFFFAOYSA-N 304.354 -0.035 30 20 DBED Cc1cc(NC(=O)C(=O)NCCN=c2cc[nH]cc2C#N)no1 1093650192 HFKLQMWCVTZJTH-UHFFFAOYSA-N 314.305 -0.162 30 20 DBED N#Cc1nc(=NCCNC(=O)CCN2CCOCC2)cc[nH]1 1093732315 NHGXUMPPQYAMIS-UHFFFAOYSA-N 304.354 -0.979 30 20 DBED N#Cc1nccnc1NCCNC(=O)[C@@H]1CCc2nn[nH]c2C1 1093761146 SIQZWSRAVZSHGS-SECBINFHSA-N 312.337 -0.200 30 20 DBED N#Cc1c[nH]ccc1=NCCNC(=O)CC(=O)NCC1CC1 1093846211 UTAOCMOAXSHOCJ-UHFFFAOYSA-N 301.350 -0.180 30 20 DBED N#Cc1nc(=NCCNC(=O)[C@@H]2CCCc3nn[nH]c32)cc[nH]1 1094092479 ANFQVMVNHUGFKS-SECBINFHSA-N 312.337 -0.464 30 20 DBED N#Cc1c[nH]ccc1=NCCCNC(=O)C1CC(=O)NC(=O)C1 1094495272 DMDBDKZUMZEGIP-UHFFFAOYSA-N 315.333 -0.654 30 20 DBED CN(C)CCOCC(=O)NCCCN=c1cc[nH]c(C#N)n1 1094503093 OWCCQASFFKWUJZ-UHFFFAOYSA-N 306.370 -0.733 30 20 DBED CCN1CCOC[C@@H]1C(=O)NCCCNc1cnc(C#N)cn1 1094654706 STPVZNWBGCDNAX-CYBMUJFWSA-N 318.381 -0.013 30 20 DBED C=CCOCC(=O)N1CC[C@@H](Nc2nccn3nnnc23)C1 1095027176 RGIGLGNQRQCHGU-SNVBAGLBSA-N 303.326 -0.265 30 20 DBED N#Cc1nc(=N[C@@H](CNC(=O)[C@@H]2CCNC2=O)C2CC2)cc[nH]1 1096784280 ZNBINMGJZFCHGO-MNOVXSKESA-N 314.349 -0.787 30 20 DBED CN(C)CCOCC(=O)N[C@H]1C[C@H](Nc2ccc(C#N)nn2)C1 1097049616 MBWSRZXYZYQZBG-JOCQHMNTSA-N 318.381 -0.014 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1C[C@@H](N=c2cc[nH]cc2C#N)C1 1097176768 VJQLFHLEOQXADR-BETUJISGSA-N 311.345 -0.426 30 20 DBED C[C@H](CNC(=O)C(=O)NCC1CC1)Nc1nccnc1C#N 1098012682 NKGZCOSDXIKAHU-SECBINFHSA-N 302.338 -0.209 30 20 DBED C#CCCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1CC(=O)NC1=O 1098055821 TVWPOTJTNLRKTI-UTUOFQBUSA-N 304.350 -0.717 30 20 DBED C[C@H](CC(=O)NC[C@@H](C)Nc1nccnc1C#N)NC(N)=O 1098076801 YFHNDHGQCYYKSR-RKDXNWHRSA-N 305.342 -0.288 30 20 DBED CCC(=O)NCC(=O)N1CC[C@@H](CN=c2cc[nH]c(C#N)n2)C1 1098510589 QASHFIGJTCUGRP-NSHDSACASA-N 316.365 -0.443 30 20 DBED N#Cc1cnc(N[C@H]2CCC[C@@H](NC(=O)CNC(N)=O)C2)cn1 1098590297 RSHJWXXWNNHCSO-VHSXEESVSA-N 317.353 -0.144 30 20 DBED C[C@H](CCNC(=O)[C@H]1CN(C)CCO1)Nc1ccc(C#N)nn1 1098998440 LOLHAWHEVJJPJK-DGCLKSJQSA-N 318.381 -0.014 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)C=C2CCC2)[C@H](O)C1 1099764645 YGMUZKFRTTVUSX-ZIAGYGMSSA-N 305.378 -0.603 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CCN(CC(=O)NCC2CC2)C[C@H]1O 1099823334 BUEMDIRGGHCSBZ-HUUCEWRRSA-N 319.405 -0.523 30 20 DBED O=C(C#CC1CC1)N[C@H]1CCN(CCn2cncn2)C[C@H]1O 1099826362 KFPTYIDLZJYVFL-UONOGXRCSA-N 303.366 -0.757 30 20 DBED C=CCCN1CC[C@@H](NC(=O)CN(C)C(=O)COC)[C@@H](O)C1 1099863113 IPDXNJWXQXVXQX-OLZOCXBDSA-N 313.398 -0.781 30 20 DBED C=CCCN1CC[C@@H](NC(=O)C(=O)NCC(F)(F)F)[C@H](O)C1 1100053924 RJQIGPUJKYWIMR-NXEZZACHSA-N 323.315 -0.208 30 20 DBED C#CCN1CC[C@@H](NC(=O)C(C)(C)NC(=O)NCC=C)[C@@H](O)C1 1100128889 FGLATOUNUMILHS-OLZOCXBDSA-N 322.409 -0.565 30 20 DBED CO[C@H](C(=O)NCCN(C)c1ccnc(C#N)n1)[C@H]1CCOC1 1100250568 IMXROGJVHUKQSV-FZMZJTMJSA-N 319.365 -0.048 30 20 DBED C=CCNC(=O)CNC1CC(CNC(=O)Cn2nccn2)C1 1100366250 KGGZAAGBLYDRDB-UHFFFAOYSA-N 306.370 -0.935 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)c2ccnnc2C)C1 1100480713 HUTDEXMNYNJLSV-UHFFFAOYSA-N 315.377 -0.368 30 20 DBED CCN(CCNC(=O)Cc1nc[nH]n1)c1ccc(C#N)nn1 1100611902 WQRXTBIQIBVOQA-UHFFFAOYSA-N 300.326 -0.348 30 20 DBED C=CCOCCNC1CC(CNC(=O)CN2CC(=O)NC2=O)C1 1100767054 LIPBRPLNQJYJCS-UHFFFAOYSA-N 324.381 -0.775 30 20 DBED C#CCNC(=O)[C@H](C)NC1CC(CNC(=O)Cc2ncc[nH]2)C1 1100791964 ZYTVBZVRCLQNAE-HIFPTAJRSA-N 317.393 -0.426 30 20 DBED N#Cc1nccc(N2CCC[C@@H]2CNC(=O)Cc2nc[nH]n2)n1 1100860465 FDLMITDKFLFDEQ-SNVBAGLBSA-N 312.337 -0.206 30 20 DBED Cc1nn(C)cc1CC(=O)N(C)CCN=c1cc[nH]c(C#N)n1 1102018208 QAKLOMRBMXGAHM-UHFFFAOYSA-N 313.365 -0.075 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1CNC(=O)c1cccnn1 1102476310 FXCGLHBAGDTIRK-VXGBXAGGSA-N 316.365 -0.586 30 20 DBED CC[C@@H](CNC(=O)[C@@H]1CCNC1=O)Nc1nccnc1C#N 1103259406 KYJWSJHWZGUZPR-VHSXEESVSA-N 302.338 -0.209 30 20 DBED CC[C@@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)N=c1cc[nH]cc1C#N 1103261584 QBQNBRLTMALMMY-AAEUAGOBSA-N 316.365 -0.295 30 20 DBED CC(=O)N1CCO[C@H](C(=O)NCC[C@@H]2CN(CC#N)C[C@H]2C)C1 1103687163 MQRCJZNVOJXJKF-YUELXQCFSA-N 322.409 -0.169 30 20 DBED C[C@H](CNc1nccnc1C#N)N(C)C(=O)Cc1nc[nH]n1 1104674356 YJLSXJRLECDOEF-SECBINFHSA-N 300.326 -0.032 30 20 DBED CNC(=O)CC(=O)N[C@H](CN=c1cc[nH]c(C#N)n1)CC(C)C 1104936640 CAOFTVOCHZBEQS-NSHDSACASA-N 318.381 -0.151 30 20 DBED Cn1c(C(=O)N2CC(n3cc(CNCC#N)nn3)C2)cnc1O 1105297926 YEZNRPFEMLEDNM-UHFFFAOYSA-N 316.325 -0.973 30 20 DBED CN(CCN(C)c1ccnc(C#N)n1)C(=O)C[C@H]1CCNC1=O 1105483520 QXXQUIYZCDKMAG-LLVKDONJSA-N 316.365 -0.231 30 20 DBED CN(CCN(C)c1ccc(C#N)cc1[N+](=O)[O-])C(=O)C(N)=O 1105543413 ZXFUFYAZRYWEEQ-UHFFFAOYSA-N 305.294 -0.154 30 20 DBED N#Cc1nccnc1NC[C@H](O)CNC(=O)c1cnsn1 1105723964 XHFVHBVTCVWASH-ZETCQYMHSA-N 305.323 -0.597 30 20 DBED N#Cc1nccnc1NC[C@@H](O)CNC(=O)Cc1ccon1 1105763502 JNAJOQMNNIJYPY-JTQLQIEISA-N 302.294 -0.532 30 20 DBED COCCOCC(=O)NC[C@H](O)CNc1ccc(C#N)c(C)n1 1105774463 SDOPDENFGVNBLW-CYBMUJFWSA-N 322.365 -0.186 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@@H]1CN(C(=O)COCC)C[C@H]1C 1105791904 CYIFOARXJGNYDC-MGPQQGTHSA-N 309.410 -0.155 30 20 DBED Cn1ncc(C(=O)NC[C@@H](O)CNc2ccc(C#N)cn2)c1N 1105800267 LEBUXDUOXMFLNT-JTQLQIEISA-N 315.337 -0.528 30 20 DBED N#Cc1cccnc1NC[C@H](O)CNC(=O)[C@H]1CCCC(=O)N1 1105997436 RONMSXUEYPVCHX-NWDGAFQWSA-N 317.349 -0.489 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)[C@@H]2CCNC(=O)C2)C[C@H]1C 1106005213 JHMUHEPPRFHLOV-RBSFLKMASA-N 321.421 -0.154 30 20 DBED CN(CC(=O)NC[C@H](O)CNc1cncc(C#N)n1)C1CCC1 1106154448 IGBBJZDDKLQNFO-CYBMUJFWSA-N 318.381 -0.278 30 20 DBED CCC[C@H](C(=O)N1C[C@@H](C)[C@H](CNCC#N)C1)S(N)(=O)=O 1106477759 QLSIRWQFMXSNKJ-IJLUTSLNSA-N 316.427 -0.349 30 20 DBED C=C(C)CN1CC(n2cc(CNC(=O)[C@H](C)NC(C)=O)nn2)C1 1107119999 QZJZIBDUTPTBBE-NSHDSACASA-N 320.397 -0.148 30 20 DBED CC#CCN1CC(n2cc(CNC(=O)CC(C)(C)O)nn2)C1 1107165354 UFQOWTJPLPYQEG-UHFFFAOYSA-N 305.382 -0.065 30 20 DBED C=CCN1CC(n2cc(CNC(=O)C3(C(N)=O)CC3)nn2)C1 1107205014 MIIBUKXRGFTNGT-UHFFFAOYSA-N 304.354 -0.798 30 20 DBED CNC(=O)CCCC(=O)N[C@H](C)CN=c1cc[nH]c(C#N)n1 1107726751 VGPWUQMUFXBGJB-SNVBAGLBSA-N 304.354 -0.397 30 20 DBED CN1CC[C@H](N2CCO[C@@](C)(CNC(=O)C#CC3CC3)C2)C1=O 1107932433 KMSYZEDGPHXPON-YOEHRIQHSA-N 319.405 -0.162 30 20 DBED COC[C@@]1(C(=O)N[C@H](C)CN=c2cc[nH]c(C#N)n2)CCOC1 1108026202 JHPBTJHROOOUOV-ABAIWWIYSA-N 319.365 -0.260 30 20 DBED Cc1cc(=NC[C@@H](C)NC(=O)[C@H]2CNC(=O)N2)c(C#N)c[nH]1 1108075470 BDVWMYMUCRNZQL-BXKDBHETSA-N 302.338 -0.718 30 20 DBED C[C@H](CNc1ncc(C#N)cc1F)NC(=O)[C@@H]1CNC(=O)N1 1108076103 MIIJNPCINNMIHD-XCBNKYQSSA-N 306.301 -0.310 30 20 DBED C=CCn1cc(C(=O)NC[C@@]2(C)CN(C[C@H](C)O)CCO2)nn1 1108266231 KKWOBTXEQBOXKP-WFASDCNBSA-N 323.397 -0.334 30 20 DBED C[C@@H](CNc1cncc(C#N)n1)NC(=O)CN1CCOCC1 1108318987 PHLLTQBZXMHKNH-NSHDSACASA-N 304.354 -0.403 30 20 DBED CNS(=O)(=O)CC(=O)N[C@@H](C)CNc1ncccc1C#N 1108388693 QLXSOJVAJPYDFW-VIFPVBQESA-N 311.367 -0.581 30 20 DBED CC[C@@H](C)C(=O)NCC(=O)NC[C@]1(C)CN(CC#N)CCO1 1108405216 WGDMWVZMRLYLMM-IUODEOHRSA-N 310.398 -0.121 30 20 DBED C=C(C)CCC(=O)N[C@@H]1CC(=O)N(C2CN([C@H](C)C(N)=O)C2)C1 1108548625 SCPIRVMTWHLOKK-VXGBXAGGSA-N 322.409 -0.382 30 20 DBED C[C@@H](CNc1nccnc1C#N)NC(=O)[C@@H]1CC(=O)N(C)C1 1108748461 SKEPYXGNRVAJHD-VHSXEESVSA-N 302.338 -0.257 30 20 DBED C[C@@H](CN(C)c1cncc(C#N)n1)NC(=O)CN1CCCC1=O 1108849612 FDIDIYMDTXCKCK-NSHDSACASA-N 316.365 -0.088 30 20 DBED C[C@@H](CN(C)c1nccnc1C#N)NC(=O)C1(C(N)=O)CC1 1109216869 IMVBTXLEKNAYPB-VIFPVBQESA-N 302.338 -0.445 30 20 DBED CN1C[C@H](C(=O)N(C)CCCN=c2cc[nH]c(C#N)n2)NC1=O 1109579013 YULIDEGOFDQNRI-SNVBAGLBSA-N 317.353 -0.946 30 20 DBED C[C@H]1C[C@@H](Nc2cncc(C#N)n2)CCN1C(=O)CNC(N)=O 1110507710 PRUMZKHQZGBMHK-UWVGGRQHSA-N 317.353 -0.192 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H](C)CC(N)=O 1110894317 ZZDYDDIVRYOQGY-SYQHCUMBSA-N 307.394 -0.131 30 20 DBED CO[C@H](C)CC(=O)NC[C@@]1(O)CCN(c2cnc(C#N)cn2)C1 1111045463 LLXPPMIERVDVFF-ABAIWWIYSA-N 319.365 -0.169 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1COCCN1c1ccc(C#N)nn1 1111663350 UIJSQCRNDOIMNI-PWSUYJOCSA-N 300.322 -0.171 30 20 DBED CNC(=O)CC(=O)N1CCO[C@H](CNc2ccc(C#N)nc2)C1 1111940831 VSPFFFCGGRHBIJ-CYBMUJFWSA-N 317.349 -0.271 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)[C@@H]2COCCO2)CC1 1112620739 MUTULYVZBBLIMY-STQMWFEESA-N 311.382 -0.763 30 20 DBED C[C@H](C(=O)N1CCN(CC(=O)NCC#N)CC1)n1cccn1 1112624196 ROCUEXWXFRQBAN-GFCCVEGCSA-N 304.354 -0.772 30 20 DBED C#CCNC(=O)CC(=O)N1CCN(Cc2nnc(C)s2)CC1 1112774501 ZVEJZZXLWNQQMF-UHFFFAOYSA-N 321.406 -0.370 30 20 DBED CNC(=O)NCCC(=O)N[C@@H](C)[C@@H](C)N=c1cc[nH]c(C#N)n1 1113000843 GPYDZIRHGWEKMR-ZJUUUORDSA-N 319.369 -0.606 30 20 DBED COCC#CCN1CCN(C(=O)[C@@H](OC)[C@@H]2CCOC2)CC1 1113158941 RLDBPYPDXYKDCI-CABCVRRESA-N 310.394 -0.168 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN([C@@H]2CCNC2=O)CC1 1113408910 LEHRGYASAPLBGU-UONOGXRCSA-N 322.409 -0.510 30 20 DBED C[C@H](CNC(=O)c1cc(=O)n(C)o1)N(C)c1nccnc1C#N 1113579230 IMTSKFMJLRPRHW-SECBINFHSA-N 316.321 -0.105 30 20 DBED C[C@@H](CNC(=O)COCCN(C)C)N(C)c1cnc(C#N)cn1 1113659182 OSFZLVBMAZGPCN-LBPRGKRZSA-N 320.397 -0.133 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1[C@@H]2CN(Cc3ncnn3CCF)C[C@@H]21 1114066335 BMMUOJPMLNBEMO-MEWQQHAOSA-N 306.345 -0.046 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)C3=CCOCC3)[C@H]2C1 1114163164 BPZDARBQJCUZGK-NHAGDIPZSA-N 305.378 -0.318 30 20 DBED COCC#CCN1C[C@@H]2C(NC(=O)[C@H]3CCCC(=O)N3)[C@H]2C1 1114445275 NEJDWGJOHAKMFF-RWMBFGLXSA-N 305.378 -0.649 30 20 DBED N#Cc1cncc(N2C[C@@H]3C(CNC(=O)CC(N)=O)[C@H]3C2)n1 1114547045 OYTWDGGEWTXWCK-GHMZBOCLSA-N 300.322 -0.978 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)c3cc(F)c[nH]3)[C@@H]2C1 1114582312 WHVYKNASKXFTJK-GHMZBOCLSA-N 304.325 -0.437 30 20 DBED C[C@@H]1C[C@H](CNc2ccc(C#N)nn2)CN1C(=O)CNC(N)=O 1114663545 JNOMIVNPAAAZKP-NXEZZACHSA-N 317.353 -0.335 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)c3ccncn3)[C@H]2C1 1114992645 YEYFWTOPIALQAX-SRVKXCTJSA-N 313.361 -0.726 30 20 DBED C#CCSCCNC(=O)C(=O)NCCCO[C@H]1CCOC1 1117412236 QXSJCGBNNLXGGE-LBPRGKRZSA-N 314.407 -0.219 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N1CCC(Cn2ccnn2)CC1 1117583113 XOBUWTWUHHJMRF-ZDUSSCGKSA-N 321.381 -0.166 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N(C)CC(=O)N1CCCC1 1118508168 GAFBQLDYGSXMQS-UHFFFAOYSA-N 303.362 -0.448 30 20 DBED N#Cc1cccnc1N[C@H](CO)CNC(=O)c1cc[n+]([O-])cc1 1121010466 OCZQGAKCOQPTJH-ZDUSSCGKSA-N 313.317 -0.211 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)C2=COCCC2)nn1 1121198688 RYASCJRYAHQDME-LBPRGKRZSA-N 303.322 -0.068 30 20 DBED COCC[C@H](C)C(=O)NC[C@@H](CO)Nc1cncc(C#N)n1 1121607487 PBYUKKOKYAUJGD-JQWIXIFHSA-N 307.354 -0.090 30 20 DBED N#Cc1cccnc1N[C@H](CO)CNC(=O)[C@H]1CCCC(=O)N1 1122176994 HTRXKBMOOJHYDX-NWDGAFQWSA-N 317.349 -0.489 30 20 DBED C=CCn1cc(C(=O)N2CC(OC)(c3cnnn3C)C2)nn1 1123900000 URDVLPRXHZWIHL-UHFFFAOYSA-N 303.326 -0.410 30 20 DBED Cc1cc(C(=O)N(C)C[C@@H](O)CN=c2cc[nH]c(C#N)n2)no1 1124072135 JXJFUUUPSCSVKI-JTQLQIEISA-N 316.321 -0.388 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)CCCOC 1124096867 MOPWXAAMZYRVAA-LLVKDONJSA-N 314.386 -0.481 30 20 DBED CN(C[C@@H](O)CNc1cncc(C#N)n1)C(=O)CSCC#N 1124111531 JCUQAMDMUDHNJB-NSHDSACASA-N 320.378 -0.164 30 20 DBED CC(C)N(C)CC(=O)N(C)C[C@H](O)CNc1nccnc1C#N 1124381060 IBFZPODLPJQIHY-GFCCVEGCSA-N 320.397 -0.080 30 20 DBED Cc1nonc1C(=O)N(C)C[C@H](O)CNc1cnc(C#N)cn1 1124399817 ZXTWBKLJVQXSBJ-SNVBAGLBSA-N 317.309 -0.415 30 20 DBED C[C@H](CC(N)=O)C(=O)N(C)C[C@@H](O)CNc1cnc(C#N)cn1 1124689120 OKOAZGVTPWQDAM-KOLCDFICSA-N 320.353 -0.909 30 20 DBED C#CCCCCC(=O)NCCNCC(=O)N[C@@H](C)C(=O)N(C)C 1125951362 MPUJOPBGVZTKJT-ZDUSSCGKSA-N 324.425 -0.521 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)CCc1ccn(C)n1 1128475515 UOFPTSPDZWHALA-LBPRGKRZSA-N 307.398 -0.251 30 20 DBED COCC#CCNCCNC(=O)[C@H]1CCCN1C1CCOCC1 1129362571 ADRPVAIEFSIOOT-MRXNPFEDSA-N 323.437 -0.015 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CCCn2nccc21 1130442330 PATNUNZSFRKEFH-QWHCGFSZSA-N 317.393 -0.396 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)c1n[nH]c2c1CCC2 1130738986 VLZYXHVIVJVUOR-SNVBAGLBSA-N 305.382 -0.092 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@@H]1COc2ccccc2C1 1131047000 LMFKMZGYOCIMCW-AWEZNQCLSA-N 315.373 -0.307 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1nnc2ccccc2n1 1131395599 IVBSKNTUNBRTNO-UHFFFAOYSA-N 314.349 -0.354 30 20 DBED C[C@H]1CC[C@H](NC(=O)c2cc[nH]n2)CN1CC(=O)NCC#N 1131813510 OXIHPVAXXVAMRS-QWRGUYRKSA-N 304.354 -0.368 30 20 DBED C=CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)CCn1ccnn1 1134193682 OXIUKNIIXADXGZ-STQMWFEESA-N 322.413 -0.157 30 20 DBED COCCn1nc(C(=O)N[C@@H](C)C[C@@H](C)NCC#N)ccc1=O 1134914307 SSQXYKIBJWOFDW-NEPJUHHUSA-N 321.381 -0.100 30 20 DBED C=CCn1cc(C(=O)NCCNCc2c(C)nnn2CC)nn1 1134983426 QLFWNBJRZIKWFZ-UHFFFAOYSA-N 318.385 -0.096 30 20 DBED C=CCCn1cc(C(=O)NCCNCC(=O)N2CCC2)nn1 1135071929 MPHXAUOMUJRPSL-UHFFFAOYSA-N 306.370 -0.594 30 20 DBED C=CCn1cc(C(=O)N[C@H](C)C[C@H](C)NCC(=O)NC)nn1 1135639897 SYHMEHCCTCHRFS-WDEREUQCSA-N 308.386 -0.303 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1cn(CCC)nn1 1135972979 NEXCZWDHDKFTHI-LLVKDONJSA-N 306.370 -0.855 30 20 DBED CNC(=O)c1ccc(C(=O)NCCNCC#CCOC)cn1 1148173716 DOQVJDRJLCZOBX-UHFFFAOYSA-N 304.350 -0.590 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)Cc1ccc[nH]1)C2 1148797061 FCBHEGMMTKRYBI-UHFFFAOYSA-N 314.389 -0.159 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1Cc2cccnc2C1 1149195855 JMCBPJFIVPGOJE-TZMCWYRMSA-N 314.389 -0.360 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1cc2c(cn1)OCCC2 1149300354 VZXKETCEUBSECZ-UHFFFAOYSA-N 317.349 -0.634 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CN(Cc2cnn(C)n2)CCCO1 1149405388 BZXYCQODLMEPPN-DGCLKSJQSA-N 306.370 -0.318 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CCCC(=O)N1C 1149478072 ZUDKCLMZSPTGPJ-NEPJUHHUSA-N 310.398 -0.606 30 20 DBED N#CCN1CCCO[C@H](CNC(=O)C[C@H]2CCC(=O)NC2)C1 1149841967 NFANFNLSHCMJHD-CHWSQXEVSA-N 308.382 -0.367 30 20 DBED COCC#CCNCCCNC(=O)[C@@H](C)N1C(=O)CCC1=O 1159303109 RGQBRQJFENMZTM-GFCCVEGCSA-N 309.366 -0.730 30 20 DBED C=CCNC(=O)CNCCCNC(=O)CCCCNC(N)=O 1161982511 RPOVRESRKULSNH-UHFFFAOYSA-N 313.402 -0.777 30 20 DBED COCC1(CNC(=O)[C@H]2CC[C@H]2C(N)=O)CCN(CC#N)CC1 1162402027 ZPVDZQZYFKKVJM-OLZOCXBDSA-N 322.409 -0.134 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)CCc1ccon1 1162561127 ZQAROCXTUMTAFG-LBPRGKRZSA-N 306.366 -0.159 30 20 DBED C#CCNCCCC[C@@H](C)NC(=O)[C@H](CCC(N)=O)NC(C)=O 1175719264 GACVUECTRUCNMS-OCCSQVGLSA-N 324.425 -0.346 30 20 DBED N#CCN1CCO[C@@H]2CCN(C(=O)CNC(=O)C3CC3)C[C@@H]21 1176925211 WAERVBZLEZHYJI-QWHCGFSZSA-N 306.366 -0.662 30 20 DBED C=CCNC(=O)CNCCCCCCNC(=O)c1cnnn1C 1178369550 RQPUDBFNYVDWBG-UHFFFAOYSA-N 322.413 -0.003 30 20 DBED CC#CCN[C@H]1CCN(C(=O)CN2CCC(=O)NC2=O)[C@H]1C 1179867605 YLIDXKUJKRBEAV-RYUDHWBXSA-N 306.366 -0.469 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)CCCC(N)=O)[C@H]1C 1180295322 KUDLPSGPPYULMG-AGIUHOORSA-N 322.409 -0.641 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)c2cnnn2CC)C1 1182337193 VGHPOUCDZBFAEL-LLVKDONJSA-N 306.370 -0.596 30 20 DBED C[C@H]1CN(C(=O)c2cc(=O)n(C)cn2)CC[C@H]1CNCC#N 1184596481 MASANHHNRIIYRQ-RYUDHWBXSA-N 303.366 -0.008 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 1185668649 GQFIDKMHJFMRBC-UONOGXRCSA-N 308.426 -0.179 30 20 DBED C=C(C)CCN[C@@H]1CCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)C1 1186048026 BGUQFZOAAUJOHM-LLVKDONJSA-N 322.365 -0.436 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2ccn(CC)n2)C1 1186091192 ZVUHVKKURBETKI-QWHCGFSZSA-N 317.393 -0.155 30 20 DBED N#CCSCC(=O)N1CC[C@H]2CN(CCOCCO)C[C@H]21 1186917232 KASGSHCNNVUHGP-QWHCGFSZSA-N 313.423 -0.215 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2cc[nH]c2CC)C1 1192599508 KIYZTGQRVJRLFB-ZIAGYGMSSA-N 318.377 -0.899 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2cscn2)C[C@H]1O 1192899369 NZEBHJWGVJLOTL-CYZMBNFOSA-N 309.391 -0.157 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(CCC[C@H](C)O)C[C@H]2O)cn1 1197926446 MFJYQPOJNOODLD-APHBMKBZSA-N 317.389 -0.001 30 20 DBED CCCNC(=O)NC(C)(C)C(=O)N[C@@H]1CN(CC#N)C[C@H]1O 1199042531 HHFXHSBZGYNWNA-GHMZBOCLSA-N 311.386 -0.841 30 20 DBED C=CCCCNC[C@H]1CN(C(=O)Cn2ncnn2)CCCO1 1200519168 CTQVTZVPVBLSFV-ZDUSSCGKSA-N 308.386 -0.154 30 20 DBED C#CCNC[C@@H]1CN(C(=O)CNC(=O)[C@H](C)CC)CCCO1 1202088829 XWGGMQLNQFJPJA-ZIAGYGMSSA-N 309.410 -0.011 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CCN(C(=O)c2ccnnc2)CC1 1202644208 UHUXLVZKPSNNIW-GFCCVEGCSA-N 315.377 -0.191 30 20 DBED N#CCNC(=O)CN[C@H]1C[C@H]2CC[C@H]1N(C(=O)c1ncc[nH]1)C2 1204296378 SWNMOYPLSIHJDP-GRYCIOLGSA-N 316.365 -0.368 30 20 DBED C=CCOCC(=O)N[C@@H]1CN([C@@H]2CCC(=O)NC2=O)C[C@H]1C 1206614599 WWTCFDFSNWNEFT-IJLUTSLNSA-N 309.366 -0.569 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCCN(C(=O)C(C)(C)C(N)=O)C1 1208373320 IBNPXZALTNIYCF-RYUDHWBXSA-N 322.409 -0.784 30 20 DBED CC#CCN[C@H]1CCCN(C(=O)Cn2ccc(O)nc2=O)C1 1208506121 CHJVTTDULHHHGD-LBPRGKRZSA-N 304.350 -0.447 30 20 DBED COCC#CCN[C@H]1CCCN(C(=O)CCc2cnn[nH]2)C1 1209691501 WQRJGSXVFDGLDC-AWEZNQCLSA-N 305.382 -0.032 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)COCC)[C@H](OC)C1 1211804475 OZNICQAQJFTESU-JHJVBQTASA-N 313.398 -0.471 30 20 DBED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)/C=C\C1CC1 1212085362 PYRPLIUPTHHFLH-DIABFLQPSA-N 306.366 -0.592 30 20 DBED C=CCCN[C@@H]1CN(C(=O)CN2CCN(C)C(=O)C2)C[C@H]1C 1215008355 LIQHMCCDWPKKLC-ZIAGYGMSSA-N 308.426 -0.227 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)C(=O)NCC(F)F)C[C@H]1C 1215029867 UFEAPJSTXBEEJN-GHMZBOCLSA-N 317.336 -0.546 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CCCN(C)C(C)=O 1219010520 VXABHXPERUBBGT-LSDHHAIUSA-N 307.394 -0.210 30 20 DBED Cc1ccnc(CN2C[C@H](O)[C@H](NC(=O)CSCC#N)C2)n1 1219219709 JKRWBXWBOFVLGU-NEPJUHHUSA-N 321.406 -0.297 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)C=C2CCC2)C1 1219446036 XQDZKRQGZPJFLU-YUTCNCBUSA-N 305.378 -0.604 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2ocnc2C)C[C@@H]1O 1219604897 CMYHZYYCVSTLRI-XQQFMLRXSA-N 307.350 -0.317 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)C(C)(C)N2CCCC2)C1 1220119939 XQLRIOGXJFIFRX-CABCVRRESA-N 323.437 -0.328 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)c2cc(C3CC3)no2)C1 1220444491 YPMSGNFISBFVCR-KGLIPLIRSA-N 319.361 -0.023 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)CCS(=O)(=O)N(C)C)[C@@H]2C1 1222042531 CXGNIICTGIHKOY-CHWSQXEVSA-N 313.423 -0.566 30 20 DBED N#CCN1CCC(CNC(=O)CCCn2c(O)nnc2O)CC1 1223687592 RCIABZXJDWKZKL-UHFFFAOYSA-N 322.369 -0.179 30 20 DBED C=CCN(CC=C)C(=O)CN1CCC(NC(=O)C(N)=O)CC1 1228912776 UWXWNXNAWXTVAK-UHFFFAOYSA-N 308.382 -0.747 30 20 DBED CN(CC(=O)N[C@]1(C#N)CCSC1)[C@H]1CCS(=O)(=O)C1 1255868452 UIXFZAFGJGUXBK-JQWIXIFHSA-N 317.436 -0.379 30 20 DBED C[C@@H]1O[C@H](C)C[C@@H]1CNC(=O)C(=O)N1CC[C@](O)(CC#N)C1 1261473610 MGVPPUPVLWOTHY-NWJSVONSSA-N 309.366 -0.207 30 20 DBED CN(C)C[C@](C)(C#N)NC(=O)[C@@H]1CC(c2cnn(C)c2)=NO1 1262798904 NXWCDCVIJUWBLC-JSGCOSHPSA-N 304.354 -0.127 30 20 DBED COC[C@@H](NC(=O)C(=O)N1CCO[C@H](C#N)C1)c1ccco1 1322936540 ZSHXDXMNJFDUDQ-GHMZBOCLSA-N 307.306 -0.166 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCSC[C@H]1CCO 1322967707 YHBTZBJMHZDEAR-LLVKDONJSA-N 300.380 -0.921 30 20 DBED C[C@@H](NC(=O)C(=O)N1CCC(C)(C#N)CC1)[C@H]1CN(C)CCO1 1324279634 FHWXWLBMIOOFKD-CHWSQXEVSA-N 322.409 -0.026 30 20 DBED C#CCC[C@H](O)CNC(=O)[C@H](C)S(=O)(=O)C1CCOCC1 1325139838 PTNJCBQPJRLBJZ-RYUDHWBXSA-N 317.407 -0.141 30 20 DBED Cc1cnc(CNC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)s1 1326137391 CWJOQQZBKSBDAY-ZDUSSCGKSA-N 308.363 -0.055 30 20 DBED C=CCN(CC=C)C(=O)C(=O)N1C[C@H](O)C[C@@H](C(=O)OC)C1 1326512185 CGJNFDAOUQUXFU-VXGBXAGGSA-N 310.350 -0.431 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)N2CCC(CO)CC2)CCN1C1CC1 1329774231 KZYFCWNBUUXQQB-AWEZNQCLSA-N 320.393 -0.584 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CC[C@H](C)[C@H]1C 1329811405 CKEGSCBSWQEGOD-WDEREUQCSA-N 302.396 -0.040 30 20 DBED N#CCCN1CCN(C(=O)C(=O)N2[C@H]3CC[C@H]2COC3)CC1 1329866151 PHPAEPJVCFPBJL-STQMWFEESA-N 306.366 -0.566 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N1CCC2(CCNC2=O)CC1 1332290345 GWRYDHWKCREGIW-UHFFFAOYSA-N 323.393 -0.224 30 20 DBED N#C[C@H]1CCCN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1 1336516563 FZWXVKSUTIMDBX-OCCSQVGLSA-N 315.377 -0.053 30 20 DBED C=C(C)COCCn1nnnc1N(C)CC(=O)N1CCOCC1 1344069363 LKRXQUCHICOXJS-UHFFFAOYSA-N 324.385 -0.439 30 20 DBED C#CC1CCN(C(=O)C(=O)N[C@H]2CCc3nc(C)nn3C2)CC1 1345856503 SLYMJQGUCZELFV-ZDUSSCGKSA-N 315.377 -0.111 30 20 DBED CO[C@H](CNC(=O)Cn1cc(C#N)c(O)nc1=O)C(F)(F)F 1362267677 GHKLQWZPXVMMPO-SSDOTTSWSA-N 320.227 -0.486 30 20 DBED C[C@@H](C(=O)NCCn1cc(C#N)c(O)nc1=O)c1cnccn1 1362690363 SMWDKKPWSLPODG-SECBINFHSA-N 314.305 -0.470 30 20 DBED N#Cc1cncc(S(=O)(=O)NCc2nc(C(N)=O)cs2)c1 1364040192 OTPCRLPUPJPJRS-UHFFFAOYSA-N 323.359 -0.013 30 20 DBED C[C@@H]1O[C@H](C)[C@@H](C(=O)NCCn2cc(C#N)c(O)nc2=O)[C@H]1C 1364106431 FMGZHDYZRDLYEK-GUDRVLHUSA-N 320.349 -0.004 30 20 DBED Cn1c(=O)[nH]c(N2CC[C@@H](N3CCCC3=O)C2)c(C#N)c1=O 1364171340 PFQJXJKEOCPXFT-SECBINFHSA-N 303.322 -0.854 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CCN(C(=O)c2ccc(C(N)=O)nc2)C1 1372020495 JCTBPXNFIKTKOP-MWLCHTKSSA-N 315.333 -0.329 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CNC(=O)Cn2cnnn2)CC1 1372166336 ULEFGAPHNCLMTR-SNVBAGLBSA-N 305.342 -0.812 30 20 DBED C[C@@H](CNC(=O)COCc1nncn1C)CNC(=O)[C@H](C)C#N 1375765087 VIAQFXXMMDFILX-WDEREUQCSA-N 322.369 -0.640 30 20 DBED C[C@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)CCn1ccnn1 1386710347 GFMMPHMJYWNMGA-SNVBAGLBSA-N 315.337 -0.197 30 20 DBED C[C@@H](C#N)C(=O)NCCN1CCN(C(=O)CC(C)(C)O)CC1 1396890875 VPFHNEMWMCFXOF-LBPRGKRZSA-N 310.398 -0.433 30 20 DBED CC(=O)N[C@H](C)C(=O)N1CCC2(CN(C(=O)[C@H](C)C#N)C2)C1 1413740720 LTRWJEJENZVDEJ-GHMZBOCLSA-N 306.366 -0.268 30 20 DBED COC(=O)C1(C#N)CCN(C(=O)NC[C@@H]2CNC(=O)C2)CC1 1414672315 ZEYRUCVBIKPKCE-JTQLQIEISA-N 308.338 -0.389 30 20 DBED C[C@H](C#N)C(=O)N(C)CCNC(=O)c1ccc(C(N)=O)cn1 1415536353 LBSCITXNDKRNCH-SECBINFHSA-N 303.322 -0.472 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)CCCn1cccn1 1416766660 REYROXLETKPNEI-VXGBXAGGSA-N 307.354 -0.584 30 20 DBED Cc1nc(CNCC2(O)CCN(C(=O)[C@@H](C)C#N)CC2)n[nH]1 1424546738 KKUULNUGZKFNQO-JTQLQIEISA-N 306.370 -0.284 30 20 DBED CN(CCNC(=O)c1cc(C#N)c[nH]1)C(=O)c1cn(C)nn1 1429216835 HTCGFWBGSSTXAZ-UHFFFAOYSA-N 301.310 -0.483 30 20 DBED CC[C@@H](CNC(=O)c1cnn[nH]1)NC(=O)c1cc(C#N)c[nH]1 1430640828 GEKPBCCEMOOXIU-VIFPVBQESA-N 301.310 -0.057 30 20 DBED C=C(Cl)CN1CCN(CCNC(=O)CNC(C)=O)CC1 1441038695 OJIOIJPGOWEZBV-UHFFFAOYSA-N 302.806 -0.391 30 20 DBED C[C@@H](CCN(C)C)NC(=O)CCn1cc(C#N)c(O)nc1=O 1443465123 RASKLJTUCQHFGI-JTQLQIEISA-N 307.354 -0.333 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1cccc2[nH]ncc12 1452404254 PIUDMBYUWSEGME-ZJUUUORDSA-N 315.333 -0.071 30 20 DBED C[C@H](CNC(=O)c1cc(C#N)c[nH]1)CNC(=O)c1cnn[nH]1 1500158432 OZTFCAYASXLOKJ-MRVPVSSYSA-N 301.310 -0.200 30 20 DBED C#CCN(C(=O)CNC(=O)O)C1CCN(C(=O)COC)CC1 1573301482 DAISYLYKHMXILE-UHFFFAOYSA-N 311.338 -0.647 30 20 DBED C[C@H](C(=O)N1CCO[C@@](C)(C#N)C1)n1cnc(-c2nn[nH]n2)n1 1573642906 RBRSYPVVVHZTFQ-PELKAZGASA-N 317.313 -0.840 30 20 DBED C#CCCN1CCN(C(=O)c2cn([C@@H]3CCCNC3)nn2)CC1 1574583678 LBZMQTJBCMEBGK-CQSZACIVSA-N 316.409 -0.016 30 20 DBED CC[C@@H]1NCC[C@@H]1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1577304052 IQUYFQAGRTUDJU-MNXVOIDGSA-N 311.407 -0.229 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C2(n3cccn3)CCNCC2)C1 1580046959 ABZBJXCJASGCST-AWEZNQCLSA-N 303.366 -0.161 30 20 DBED C#CCC1(O)CCN(c2cnc(C#N)c(-c3nn[nH]n3)n2)CC1 1588335231 DIPHVTJAWWRYDZ-UHFFFAOYSA-N 310.321 -0.117 30 20 DBED C#CCN(CC(=O)O)C(=O)c1cc(C)ccc1S(N)(=O)=O 1588417359 KMEYDEDIRSPEJF-UHFFFAOYSA-N 310.331 -0.198 30 20 DBED C#Cc1ccc(NC(=O)C(=O)N2C[C@@H](O)C[C@@H](C(=O)O)C2)cc1 1588516927 HWTGMDWXGHQBON-YPMHNXCESA-N 316.313 -0.100 30 20 DBED C=CCOC[C@@H](NS(=O)(=O)N1CCC(OC)CC1)C(=O)O 1588867316 ZVBBPOYGXSZNMD-LLVKDONJSA-N 322.383 -0.413 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CC[C@@H](C(=O)O)[C@@H]2C)nn1 1588909479 WAOGRLFUAAOXAW-GXSJLCMTSA-N 321.337 -0.598 30 20 DBED CC(C)C#CC(=O)N1C[C@H]2[C@H](NC(=O)[C@H]3C[C@@H]3C(=O)O)[C@H]2C1 1590927188 VCVAPSADIDINOG-ZXPJVPCYSA-N 304.346 -0.061 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N1CCC([C@@H](O)C(=O)O)CC1 1592221732 MNZSOLZITPYSEX-MWLCHTKSSA-N 319.383 -0.377 30 20 DBED CN1C[C@H](C(=O)O)N(S(=O)(=O)CC2(CC#N)CC2)CC1=O 1598566503 WTVLADYZJVDYJG-SECBINFHSA-N 315.351 -0.763 30 20 DBED C#CCN(C)CCCNS(=O)(=O)c1cc(C(=O)O)cn1C 1602713464 DSJTYNQRNRIZAK-UHFFFAOYSA-N 313.379 -0.043 30 20 DBED C[C@@H]1C[C@H](C(=O)O)CN(C(=O)Cn2cc(C#N)c(O)nc2=O)C1 1603360535 SQGSZSSKBMAQCR-BDAKNGLRSA-N 320.305 -0.610 30 20 DBED C[C@H](CS(C)(=O)=O)C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[nH]1 1603572245 XKQGVNPDXWSTJG-RXMQYKEDSA-N 324.326 -0.919 30 20 DBED CCCn1ncnc1Cn1c(=O)c(C#N)cn(CC(=O)O)c1=O 1603701220 HEZQLABAZRNAMO-UHFFFAOYSA-N 318.293 -0.984 30 20 DBED Cc1nc(C(=O)OCC(=O)NCCC#N)ccc1-c1nn[nH]n1 1609448391 DXFHDYYHOUCPJX-UHFFFAOYSA-N 315.293 -0.243 30 20 DBED N#CC[C@]1(O)CCN(C(=O)NCCC(=O)N2CCOCC2)C1 1645858679 RQRYLUSSKOCMSN-AWEZNQCLSA-N 310.354 -0.705 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)NC[C@H]1CCN(C)C(=O)C1 1646022773 KQJOMTHBDRXAMU-MNOVXSKESA-N 302.400 -0.077 30 20 DBED COCC#CCN[C@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)C2)C1 1690235377 MTYBWZVZCPFKMQ-OLZOCXBDSA-N 314.407 -0.739 30 20 DBED C=CCNC(=O)[C@@H](C)NCCN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)C1 1753232662 FZZFMGPGLQARFS-UPJWGTAASA-N 324.425 -0.373 30 20 DBED C=C(C)[C@@H](CC(=O)NC1CN([C@H]2CCC(=O)NC2=O)C1)OCC 1753379330 PJDCPEDGWOYXJJ-QWHCGFSZSA-N 323.393 -0.037 30 20 DBED C#CCNC(=O)CN[C@H](CC)CNC(=O)c1ccnc(C)n1 1753494352 CPEBUKFJDFDVTF-GFCCVEGCSA-N 303.366 -0.368 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@@H](C)NC(=O)c1cn(CCC)nn1 1754247117 KHLNZDVTYOVTGT-NEPJUHHUSA-N 320.397 -0.466 30 20 DBED N#CCNC(=O)CNC[C@H]1CCCC[C@H]1NC(=O)c1nc[nH]n1 1754352975 KKGMPXKKWPVRRO-GHMZBOCLSA-N 319.369 -0.677 30 20 DBED N#CCNC(=O)CNCC[C@@H]1CCN(C(=O)Cc2ncc[nH]2)C1 1754936434 HPKNJMATKAZYCM-GFCCVEGCSA-N 318.381 -0.580 30 20 DBED N#CCNC(=O)CNC1(CNC(=O)[C@@]23COC[C@@H]2C3)CCC1 1754980497 FFBSUKVEXSUSLF-NHYWBVRUSA-N 306.366 -0.709 30 20 DBED COCC#CCN(C)[C@H](C)CNC(=O)CS(=O)(=O)C(C)C 1755326917 AXFSGNAKACNICJ-CYBMUJFWSA-N 318.439 -0.104 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2ccncn2)C(C)(C)C1 1755410868 AKPKYHTUQQTFAC-CYBMUJFWSA-N 315.377 -0.334 30 20 DBED C#CCOc1ccc(C(=O)NC[C@H](CO)NCC(=O)NC)cc1 1755640779 QGLHNSLVOHYYNC-CYBMUJFWSA-N 319.361 -0.875 30 20 DBED C=C(C)CCN[C@@H](CO)CNC(=O)c1cn(C)c(=O)nc1O 1755646226 LNSJGSRIPJOKDG-SNVBAGLBSA-N 310.354 -0.868 30 20 DBED C[C@H](CNC(=O)c1cnn(C)c1N)N(C)C(=O)C#CC1CC1 1756022179 ZOUDTXOTCYSZAO-SNVBAGLBSA-N 303.366 -0.008 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H](CO)CNC(=O)C1CCC1 1756501382 RDZQUZRHPPYDIC-KBPBESRZSA-N 307.394 -0.523 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@H](CO)NC(=O)c1ccc(O)nc1 1756515878 QTVZXIHUMVHGMV-NHYWBVRUSA-N 323.349 -0.679 30 20 DBED C#CCCCC(=O)N[C@@H](CO)CNC(=O)Cn1nc(C)cc1C 1756532691 KPRNRJUGLGNQME-CQSZACIVSA-N 320.393 -0.103 30 20 DBED C[C@@H]1CN(c2[nH]c(=O)n(C)c(=O)c2C#N)CCN(C2CC2)C1 1772118418 ZEQPVTWDTBQUMK-JTQLQIEISA-N 303.366 -0.134 30 20 DBED CNC(=O)CNC(=S)NN=Cc1ccc(/C=C/C(=O)O)o1 1776042282 AFVYWJMZGFWMFY-SNGBSLQCSA-N 310.335 -0.079 30 20 DBED CC1(C)CN(S(=O)(=O)N[C@@H](CCC#N)C(=O)O)CCO1 1776562294 WEIBEFFIRIKOKM-VIFPVBQESA-N 305.356 -0.311 30 20 DBED CC(C)NCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC#N)C2 1795708228 UARWMSXKPHUHQA-YWVIFJGQSA-N 322.409 -0.122 30 20 DBED N#CCC(=O)N1CC[C@@H](CNC(=O)CN)[C@H]1c1cccnc1 1807030638 CKUSAMHEQXWWOK-SWLSCSKDSA-N 301.350 -0.040 30 20 DBED C#CC(=O)N[C@@H]1CCc2nc(NC(=O)COCCO)sc2C1 1822994355 PESKVBYAQMGMDT-SECBINFHSA-N 323.374 -0.303 30 20 DBED C=CCC(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834768597 FNCDBDVLJQSQCH-OAHLLOKOSA-N 307.350 -0.067 30 20 DBED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)c2cnoc2)C1 1843474920 GGEMPCILBNUUQI-UHFFFAOYSA-N 303.274 -0.420 30 20 DBED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CC#N 1847263262 PHOMSBISVSBAKR-LDIIPZEWSA-N 316.361 -0.040 30 20 DBED N#Cc1ccccc1S(=O)(=O)N1CCS(=O)(=O)CC1 36162934 WPJKJNMLPGYTQH-UHFFFAOYSA-N 300.361 -0.023 30 20 DBED CC(C)[C@@](C)(C#N)NC(=O)CN1CCN(C(=O)CN(C)C)CC1 51762194 KVZWBXHEHSPEBE-MRXNPFEDSA-N 323.441 -0.253 30 20 DBED COCCN1CCN(CC(=O)N[C@@](C)(C#N)C(C)C)CC1=O 91840099 DUTWUXJZNAFJFY-HNNXBMFYSA-N 310.398 -0.169 30 20 DBED CC(=O)NCC(=O)NCC(=O)N(CCC#N)Cc1ccco1 162481052 XJXOXDNZKKMLDC-UHFFFAOYSA-N 306.322 -0.226 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C)CCN(C)C)C1=O 264909921 NFHXIIGDUAEPFF-JTQLQIEISA-N 310.354 -0.580 30 20 DBED C#CCSCCNC(=O)CN1C(=O)C(=O)N(CC=C)C1=O 265764689 BVZIWEFNCLVDDW-UHFFFAOYSA-N 309.347 -0.554 30 20 DBED C#CCNC(=O)N1CCN(S(=O)(=O)CCCOC)CC1 269314987 YVDYEKFOLWSIHO-UHFFFAOYSA-N 303.384 -0.687 30 20 DBED CNC(=O)NCC(=O)N1CCN(c2ncccc2C#N)CC1 270472173 HONNVNCJLGBCDJ-UHFFFAOYSA-N 302.338 -0.469 30 20 DBED N#Cc1ccc(CN2CCN(C(=O)Cn3cnnn3)CC2)s1 289762773 KAQJJHICVHAYDK-UHFFFAOYSA-N 317.378 -0.049 30 20 DBED CC#CCN(C)C(=O)C(=O)Nc1c(OC)ncnc1N(C)C 293468236 NWQRPUVRLJXVLK-UHFFFAOYSA-N 305.338 -0.029 30 20 DBED CS(=O)(=O)N1CC[C@H](C/N=C(/O)N[C@H]2CCCOC2)C1 328776907 FSAVNYJGTHTGPI-MNOVXSKESA-N 305.400 -0.050 30 20 DBED C[C@H]1[C@@H](C)N(/C(O)=N/CCN2C(=O)CCC2=O)CC[S@]1=O 329690268 WABKGPHONADYOY-QONUSYMYSA-N 315.395 -0.109 30 20 DBED O=C1COCCN1CC(=O)N1CC[C@H](N/C(O)=N/C2CC2)C1 329869451 YVIBOMGIFJAFKS-NSHDSACASA-N 310.354 -0.888 30 20 DBED CN1CCO[C@@H]2CN(/C(O)=N/C[C@@H]3CC[C@H](C(=N)O)O3)C[C@H]21 329990519 WFJAYPYDLGCBIB-IRCOFANPSA-N 312.370 -0.002 30 20 DBED COC(=O)C1(CS(=O)(=O)N2CCO[C@H](C#N)C2)CCC1 332429783 IOMCFATVISFODZ-SNVBAGLBSA-N 302.352 -0.116 30 20 DBED C=CC[C@@H](CC)NC(=O)N1CCN(CCS(N)(=O)=O)CC1 336945896 LYPXHEBUCNCVOQ-GFCCVEGCSA-N 318.443 -0.043 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)NC[C@H](CO)[C@@H]1CCOC1 337164651 YAQUDIXVRGJADS-IJLUTSLNSA-N 305.400 -0.443 30 20 DBED CC(=O)NCCCNC(=O)C(=O)NCc1cccc(C#N)c1 340155958 UPBRYOMOBVVDCT-UHFFFAOYSA-N 302.334 -0.183 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@](C)(CO)CCC)C1=O 354120877 ANSQQMUFZZSSHE-AWEZNQCLSA-N 311.338 -0.370 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC[C@H](C)COC)C1=O 355042907 GMAMOOQDFZSLBQ-NWDGAFQWSA-N 311.382 -0.370 30 20 DBED C=CCN(CCOC)C(=O)C1CCN(S(=O)(=O)NC)CC1 355215776 ZMPMCYQONKXJAP-UHFFFAOYSA-N 319.427 -0.176 30 20 DBED C[C@H](C#N)CN(C)C(=O)Cn1ccc2c(=O)n(C)c(=O)n(C)c21 362571143 ZZSSUXCOUDUJHZ-SNVBAGLBSA-N 317.349 -0.343 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC[C@@H](CC(N)=O)C1 407959690 XAUPUQOPNITAHF-QWRGUYRKSA-N 302.400 -0.090 30 20 DBED C=CCCn1cc(C(=O)N(C)C[C@H](O)CN2CCOCC2)nn1 424710620 PGSFYXDCOXJHSE-ZDUSSCGKSA-N 323.397 -0.381 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 491209887 NEGAEDNYTBTKEB-UHFFFAOYSA-N 320.305 -0.305 30 20 DBED C#CCn1ccc(CN(CC)C(=O)CN2CCN(C)C(=O)C2)n1 491375281 VIIGJFNUVXMQSI-UHFFFAOYSA-N 317.393 -0.361 30 20 DBED COC(=O)[C@H]1CNC(=O)CN1C(=O)Cc1cccc(C#N)c1 548399758 GABITGIJURBXJE-GFCCVEGCSA-N 301.302 -0.399 30 20 DBED CC(=O)[C@@H](NC(=O)CN1CCN(C(=O)CC#N)CC1)C(C)C 570407893 OLCUWLJCYXCINL-HNNXBMFYSA-N 308.382 -0.226 30 20 DBED COCCn1ccc(NC(=O)NCCn2cnc(C#N)n2)n1 588241050 NHYMXUOLROOJQP-UHFFFAOYSA-N 304.314 -0.186 30 20 DBED C=CCCSCCNC(=O)C(=O)N1CCCO[C@H](CN)C1 595284521 SUWPIBZZHWCFDN-GFCCVEGCSA-N 315.439 -0.012 30 20 DBED CC(=O)N1CCN(C(=O)CCNc2cc(C#N)cnn2)CC1 596125004 WLQLFOJNQSGVLV-UHFFFAOYSA-N 302.338 -0.159 30 20 DBED C[C@@H](C#N)N(C(=O)[C@H]1CCCN(S(N)(=O)=O)C1)C1CC1 598135619 ZLZALAWODFNTQV-UWVGGRQHSA-N 300.384 -0.195 30 20 DBED N#CCCN1CCN(C(=O)CCCN2C(=O)CCC2=O)CC1 602207330 VWFZWTHCWFCLCF-UHFFFAOYSA-N 306.366 -0.027 30 20 DBED C=C[C@H](O)C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 613332392 VEVBNWZGYHZMRA-NEPJUHHUSA-N 318.395 -0.814 30 20 DBED C=C[C@H](O)C(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F 614693538 OYSQQFPDYTUBDL-BQBZGAKWSA-N 304.290 -0.528 30 20 DBED C=CCC[C@H](CO)NC(=O)NCCNS(=O)(=O)N(C)C 665008775 WVEUQMAICGSTHD-SNVBAGLBSA-N 308.404 -0.991 30 20 DBED C=C(C)Cn1c(COC)nnc1N1CCO[C@H](C(=O)NC)C1 670198005 RIBVEEVNJMSFNH-NSHDSACASA-N 309.370 -0.048 30 20 DBED CC(=NNC(=S)NCC(N)=O)c1ccc(CC(=O)O)cc1 731930170 TYGGZZYHYIGDFX-UHFFFAOYSA-N 308.363 -0.013 30 20 DBED C#CCCS(=O)(=O)NC(=O)CCC(=O)N1CCOCC1 810785782 RFUUSQFVZFMEDP-UHFFFAOYSA-N 302.352 -0.905 30 20 DBED C#C[C@H](C)N(C)C(=O)NCCS(=O)(=O)N1CCOCC1 812017504 GVTFEIDKDHYNJK-NSHDSACASA-N 303.384 -0.689 30 20 DBED C=C[C@H](O)C(=O)OCC(=O)NCc1ccc(OCC(N)=O)cc1 814548506 UNTIJAGCNBHEOS-LBPRGKRZSA-N 322.317 -0.743 30 20 DBED C#CCN(C)CCCNC(=O)Cn1[nH]cc2c(=O)ncnc1-2 818611970 JMTFEJULJKHBGU-UHFFFAOYSA-N 302.338 -0.858 30 20 DBED CCOC(=O)CON=C(C(=O)N[C@@H]1CC[C@H]1O)c1cc[nH]n1 819685024 BIYRPAFDBVELBA-PSASIEDQSA-N 310.310 -0.667 30 20 DBED C#Cc1cnc(N2CCN(S(=O)(=O)CCCOC)CC2)nc1 827790455 XICGNGZMWGCNLQ-UHFFFAOYSA-N 324.406 -0.054 30 20 DBED C#CCCS(=O)(=O)N1C[C@@H](C(=O)OCC)C2(COC2)C1 831705019 QEHQGCRFSZSQTR-NSHDSACASA-N 301.364 -0.149 30 20 DBED N#C[C@H]1CNC[C@@H]1NC(=O)CCN1C(=O)c2ccccc2C1=O 834506353 SGBLOOUSCYLLPD-GWCFXTLKSA-N 312.329 -0.100 30 20 DBED CC(C)[C@@H](N)CNC(=O)C(=O)NCCNc1ncccc1C#N 842174776 KHPQVJKDFWYIPX-LBPRGKRZSA-N 318.381 -0.419 30 20 DBED C=CCn1cc(C(=O)N2CCCC[C@H]2CS(N)(=O)=O)nn1 843830641 KDHKMAJHEHEJQN-JTQLQIEISA-N 313.383 -0.253 30 20 DBED C#CCN(C)CCCNC(=O)Cn1nc2n(c1=O)CCCC2 846227548 BVUUFJLSKHKHBI-UHFFFAOYSA-N 305.382 -0.548 30 20 DBED C#CCCOC(=O)N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 858931642 XIHOVDVDWBEIMA-NWDGAFQWSA-N 316.379 -0.766 30 20 DBED C#CC1(O)CN(C(=O)c2cccc(S(=O)(=O)N(C)C)c2)C1 890519969 RTHJYOYDMLNNJA-UHFFFAOYSA-N 308.359 -0.243 30 20 DBED C#CC1(O)CN(C(=O)NC[C@@H](n2cncn2)C(F)(F)F)C1 896099851 FXTRIMUFRPIGPY-MRVPVSSYSA-N 303.244 -0.229 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](NC(=O)[C@@H]2CCCN2C(N)=O)C1 941320058 KGAKTZYTBZINLO-AXFHLTTASA-N 307.354 -0.594 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)c2cnccn2)C1 944457671 LMNRHHUZXMLWLL-QWRGUYRKSA-N 303.322 -0.407 30 20 DBED C[C@@H]1C[C@H](NC(=O)CN2CCC(=O)NC2=O)CCN1CC#N 947899950 OASDEIMHQCWIFL-GHMZBOCLSA-N 307.354 -0.579 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)[C@H]1CN(C)C(=O)N1)CCO2 949156525 OUCVBDFHVBBCIQ-CYBMUJFWSA-N 320.393 -0.663 30 20 DBED CC#CCN1CCOC2(CCN(C(=O)C3(C(N)=O)CC3)CC2)C1 949454047 APSZUNDZXNVAAS-UHFFFAOYSA-N 319.405 -0.031 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]1CNC(=O)c1cc(=O)n(C)cn1 950761288 JXSRMCFVQULLCR-UWVGGRQHSA-N 303.322 -0.729 30 20 DBED CN(C(=O)c1ccc(C#N)[nH]1)C1CN(C(=O)c2cnon2)C1 954080835 AEFNWFBGBJWFNB-UHFFFAOYSA-N 300.278 -0.134 30 20 DBED CN1C[C@H](C(=O)N[C@@]2(C)CCN(C(=O)C#CC3CC3)C2)CC1=O 957063843 VSVFUOFEPOFFEC-DYVFJYSZSA-N 317.389 -0.015 30 20 DBED C=CCN1C[C@@H](O)[C@@H](CNC(=O)c2cnn3ccncc23)C1 958145561 MYIIFEMNPQCAQT-SMDDNHRTSA-N 301.350 -0.062 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2nn(C)c3c2CCCC3)C1 958408145 FIZROPZILWZPPO-SWLSCSKDSA-N 316.405 -0.045 30 20 DBED CC#CCN1C[C@@H](O)[C@@H](CNC(=O)c2ccc(C(N)=O)s2)C1 958477314 XSMMSYURFJNIGN-WDEREUQCSA-N 321.402 -0.107 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)Cc1cc[nH]n1 960163198 ZECYIZJUNBYFQF-KGYLQXTDSA-N 317.349 -0.450 30 20 DBED CC#CCN1C[C@@H]2C(NC(=O)c3ccc(-n4cnnn4)cn3)[C@H]2C1 961353818 CLEKIDNEXUNQSU-STQMWFEESA-N 323.360 -0.259 30 20 DBED CS[C@@H](C)C(=O)N1C[C@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 962138466 PEVIRRNPDAODJS-AXTRIDKLSA-N 322.390 -0.061 30 20 DBED C#CCN1CCC(C(=O)N[C@H]2[C@@H]3CN(C[C@H](C)O)C[C@@H]32)CC1 962779001 RHRTVKLDDBMZQX-ARLBYUKCSA-N 305.422 -0.241 30 20 DBED Cc1[nH]nc(C(=O)NC[C@@H]2COCCN2C(=O)[C@H](C)C#N)c1O 964157171 ULJGZAHVBSRFIM-PSASIEDQSA-N 321.337 -0.459 30 20 DBED CC[C@@H](OC)C(=O)N1CCN(C2CN(C(=O)[C@@H](C)C#N)C2)CC1 967198476 MXBCMCWGHLHYTK-GXTWGEPZSA-N 322.409 -0.074 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)c3cnc(O)n3C)C2)C1 972493905 LFWAPELBRMGRLZ-HNNXBMFYSA-N 304.350 -0.324 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)[C@@H]3CCCC(=O)N3C)C2)C1 972657839 BIAMSDILQBMCRJ-WMLDXEAASA-N 319.405 -0.066 30 20 DBED C[C@@H]1[C@@H](NC(=O)[C@@H]2COC(=O)N2)CCN1C(=O)C#CC1CC1 987790035 WAIJVLBLVVYSAE-USWWRNFRSA-N 305.334 -0.386 30 20 DBED C=C(Cl)C(C)(C)C(=O)N1CC(NC(=O)Cn2cnnn2)C1 990192333 LKUHDWXNQQCCNY-UHFFFAOYSA-N 312.761 -0.221 30 20 DBED N#CCN[C@H]1CCCN(C(=O)C2(n3cnnn3)CCOCC2)C1 1000431559 KBPYNXZHDDBUKS-LBPRGKRZSA-N 319.369 -0.717 30 20 DBED C[C@H](C#N)C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cc(=O)n(C)o1 1002265337 IWLUFGOAQXZFHP-DBIOUOCHSA-N 318.333 0.000 30 20 DBED C[C@H](C#N)C(=O)N1CC([C@@H](C)NC(=O)c2nnc(O)nc2O)C1 1006493649 MQBZYROZRFCXOV-RNFRBKRXSA-N 320.309 -0.981 30 20 DBED COC(=O)[C@@H]1C[C@H]1C(=O)N1CCN(C(=O)C#CC2CC2)CC1 1010678831 WDOZRKWSXJZILY-CHWSQXEVSA-N 304.346 -0.120 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C(=O)[C@@H]2CCc3nncn3C2)CC1 1011252795 FIRDXFFWINQIKE-NWDGAFQWSA-N 316.365 -0.329 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C(=O)[C@@H]2CCCCC(=O)N2)CC1 1012330947 OQZJUVAIYDGABS-RYUDHWBXSA-N 306.366 -0.124 30 20 DBED Cc1nc[nH]c1CC(=O)NC1[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]12 1013523866 WUCQLNWGMRLNQQ-FBIMIBRVSA-N 301.350 -0.007 30 20 DBED C=CCN1CC[C@H](N2CC[C@@H](NC(=O)Cn3nccn3)C2)C1=O 1014563152 CSVCPYPOJZZTAI-OLZOCXBDSA-N 318.381 -0.745 30 20 DBED N#CCN1CC[C@H](NC(=O)c2cn(C[C@@H]3CCOC3)nn2)C1 1015916942 UHFXHQKANNSVLK-RYUDHWBXSA-N 304.354 -0.358 30 20 DBED Cn1cc(C(=O)N2[C@H]3CC[C@H]2CN(CC#N)C3)c(O)nc1=O 1018262961 DINPGCXQEVEDES-UWVGGRQHSA-N 303.322 -0.702 30 20 DBED C[C@H](C#N)C(=O)N1CCC2(C1)CN(C(=O)[C@@H]1CCC(=O)NC1)C2 1019173872 XIBYYAMAQYVRQD-VXGBXAGGSA-N 318.377 -0.267 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCN(C(=O)[C@@H]3COCCO3)C2)C1 1019361977 WYDOQUWIUMTEKE-RYUDHWBXSA-N 307.350 -0.378 30 20 DBED Cc1nn[nH]c1C(=O)NC[C@H]1CN(C(=O)[C@@H](C)C#N)CCCO1 1019636975 XNMUURGFZGUBQS-ONGXEEELSA-N 320.353 -0.380 30 20 DBED C=C(Br)CN[C@H]1C[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 1020531592 WUEMTRXTICJOCA-CIUDSAMLSA-N 317.187 -0.187 30 20 DBED N#Cc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCCO3)C2)c[nH]1 1022991440 HSJXXZZUJHIGOG-UPJWGTAASA-N 318.333 -0.633 30 20 DBED N#Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@H]2N(C(=O)C(N)=O)C3)c[nH]1 1026055103 HOALNGAZIZFMGX-JFUSQASVSA-N 315.333 -0.519 30 20 DBED C=CCN1CC[C@@H](CNC(=O)[C@@H]2CCN(C)S2(=O)=O)C1 1028862834 XTMDUULGWVDKRA-RYUDHWBXSA-N 301.412 -0.356 30 20 DBED CC#CCN1[C@H]2CC[C@H]1CN(C(=O)Cn1c(O)nnc1O)C2 1029566115 FURLZZOTJCUVHA-QWRGUYRKSA-N 305.338 -0.612 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)[C@H]3OCC[C@H]3C)C2)C1=O 1030976333 FFKOFMSVMCYIQG-XBFCOCLRSA-N 307.394 -0.001 30 20 DBED C#CCCN1CCO[C@@H](CNC(=O)c2cn(CCOC)nn2)C1 1035360228 CELJJBNTVFSAEU-ZDUSSCGKSA-N 321.381 -0.622 30 20 DBED CC#CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1cn(CCOC)nn1 1037397471 ZYCQAVXGQCUUAT-KWCYVHTRSA-N 303.366 -0.250 30 20 DBED CN1CC[C@@H](C(=O)N2CC[C@@](O)(CNC(=O)C#CC3CC3)C2)C1 1039688095 ADWPRNJARYEAFF-RHSMWYFYSA-N 319.405 -0.569 30 20 DBED C#CCN1[C@H]2CCC[C@H]1CN(C(=O)[C@H]1CN(C(C)=O)CCO1)C2 1039988787 FOHNWRZSYPNTIA-HRCADAONSA-N 319.405 -0.068 30 20 DBED C[C@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1040768937 GXHDZXUBMFHEOC-VUABOHJTSA-N 307.350 -0.882 30 20 DBED CN(C(=O)c1c[nH]c(C#N)c1)C1CN(Cc2nc(=O)n(C)[nH]2)C1 1042637636 PBLMWRNQYWDBEQ-UHFFFAOYSA-N 315.337 -0.735 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)c2cnn(CC)n2)C1 1042802396 IWANDLYKAIKFOC-UHFFFAOYSA-N 319.365 -0.595 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(O)CN(C(=O)c2cc(C)no2)C1 1042809285 KDWQXFFBBRVHJJ-CQSZACIVSA-N 323.349 -0.387 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1042936139 BBWMXOHKEANXHY-GHMZBOCLSA-N 309.322 -1.000 30 20 DBED Cc1cc(C(=O)N2CC(O)(CNC(=O)C#CC(C)C)C2)cnn1 1042936502 KHALGWTYZVLXDG-UHFFFAOYSA-N 316.361 -0.252 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)[C@]2(F)CCOC2)C1 1042943598 UGMDUFNIKJMDOI-HNNXBMFYSA-N 312.341 -0.536 30 20 DBED Cc1nccc(C(=O)N2CC(O)(CNC(=O)C#CC3CC3)C2)n1 1042963609 PMELITDSHMQQQK-UHFFFAOYSA-N 314.345 -0.498 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)COC(C)C)C1 1043032746 HFGIBPQWGRDYAD-UHFFFAOYSA-N 312.366 -0.859 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)[C@H](C)OCC)C1 1043033256 VIEOQPDVUYDVRG-LBPRGKRZSA-N 312.366 -0.859 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2cocn2)C1 1043040085 NPKNANDBSQVACQ-JTQLQIEISA-N 307.306 -0.984 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)c2ncc(F)cc2F)C1 1045564334 FXYNDLOBMVZGQP-QMMMGPOBSA-N 324.287 -0.177 30 20 DBED CN(C)CCC(=O)NCC1(O)CN(C(=O)c2c[nH]c(C#N)c2)C1 1045710576 YGJMUFNTQMTNGY-UHFFFAOYSA-N 319.365 -0.859 30 20 DBED C=CCN1[C@H]2CC[C@H]1CN(C(=O)[C@@H]1CC(=O)NC(=O)N1)CC2 1045856535 OZXWPZREXMYJQJ-SRVKXCTJSA-N 306.366 -0.164 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)CCc2cnn[nH]2)C1 1046804828 WDJYGPWEDHSPFS-UHFFFAOYSA-N 319.365 -0.770 30 20 DBED C=CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)Cc2cnc[nH]2)C1 1047188710 UCRVBGSAFFFONQ-LLVKDONJSA-N 322.365 -0.767 30 20 DBED C=CCOCC(=O)N(C)[C@H]1CN(C(=O)c2ocnc2C)C[C@@H]1O 1048555253 UAFDVTGYDUYVAB-RYUDHWBXSA-N 323.349 -0.171 30 20 DBED C=C[C@@](C)(O)CC(=O)N(C)[C@H]1CN(C(=O)CSC)C[C@@H]1O 1048757551 INEYCJSAQWXQFQ-COPLHBTASA-N 316.423 -0.293 30 20 DBED CN(C(=O)CC(C)(C)O)[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 1048769830 SLGCPWDWMFXUHJ-STQMWFEESA-N 308.378 -0.409 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCc2cnc[nH]2)C1 1049000492 RVDQGCSJKJFLBO-DRZSPHRISA-N 319.365 -0.468 30 20 DBED Cc1cc(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)C#N)C2)n[nH]1 1049388069 FWVZHVJMQXOZIR-ZHAHWJHGSA-N 305.338 -0.479 30 20 DBED C=CCN1CC[C@H](N2CC[C@@H]3[C@@H]2CCCN3C(=O)C(N)=O)C1=O 1049683042 LAPROVYLINKMCK-XQQFMLRXSA-N 320.393 -0.676 30 20 DBED C#CCN1C[C@@H]2CCCN(C(=O)[C@H]3CCS(=O)(=O)C3)[C@@H]2C1 1050088937 UGAIAKJTRKPZHI-MELADBBJSA-N 310.419 -0.023 30 20 DBED C#CCN1C[C@@H]2CCCN(C(=O)C[C@@H]3CC(=O)NC3=O)[C@@H]2C1 1050219705 ALRAYUYBXOHVND-RWMBFGLXSA-N 303.362 -0.405 30 20 DBED CCN1CC[C@@H](N2CC3(CN(C(=O)[C@@H](C)C#N)CCO3)C2)C1=O 1053191047 KUEGRIPOHDIANF-QWHCGFSZSA-N 320.393 -0.320 30 20 DBED CC(=O)N1CCC(C(=O)N2CCOC3(CN(CC#N)C3)C2)CC1 1053528947 ZLTRYJKVVOQLCG-UHFFFAOYSA-N 320.393 -0.318 30 20 DBED C=C(C)CN1CC2(C[C@H](NC(=O)CN3CCOCC3)CO2)C1 1053781484 LGZGTMQQWOFINZ-AWEZNQCLSA-N 309.410 -0.146 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1COC2(C1)CN(CCO)C2 1053832145 BRENFAFAQYHPNZ-KBPBESRZSA-N 307.394 -0.964 30 20 DBED CN1CC[C@H](CC(=O)N[C@@H]2COC3(C2)CN(CC#N)C3)C1=O 1053841420 IXWRDNMCGWKELW-NEPJUHHUSA-N 306.366 -0.662 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)[C@H]3CCNC(=O)CC3)CO2)C1 1053881433 JEHFMCAGADRCTL-OLZOCXBDSA-N 305.378 -0.505 30 20 DBED N#Cc1nccc(N2CCN(C(=O)[C@@H]3CC[C@H]3C(N)=O)CC2)n1 1055974176 YNCNDQOYYGNAOF-GHMZBOCLSA-N 314.349 -0.492 30 20 DBED Cc1cc(C#N)nc(N2C[C@H]3[C@H](NC(=O)c4nc[nH]n4)[C@H]3C2)n1 1056272050 LOTXJPKTAQGRSJ-URLYPYJESA-N 310.321 -0.361 30 20 DBED N#Cc1nccnc1N1C[C@H]2C(NC(=O)Cn3nccn3)[C@@H]2C1 1056315664 HBLHMVNCCLVRTD-NXEZZACHSA-N 310.321 -0.809 30 20 DBED C#CCOCCC(=O)N1CCC[C@H]2CN(C(=O)CC(N)=O)C[C@H]21 1056666314 LBEDRZLFORFJNF-QWHCGFSZSA-N 321.377 -0.649 30 20 DBED Cn1ncc(C(=O)N2CCCN(c3cnc(C#N)cn3)CC2)n1 1057154879 YKYKESRSIHHVFW-UHFFFAOYSA-N 312.337 -0.171 30 20 DBED N#Cc1cnc(N2CCC[C@H](NC(=O)Cc3nc[nH]n3)C2)cn1 1058194490 XVVHIDNOYDHCHB-JTQLQIEISA-N 312.337 -0.206 30 20 DBED N#Cc1cncc(N2CCC[C@@H](NC(=O)Cn3nccn3)C2)n1 1058201115 GZIUNUSDFLHHCF-LLVKDONJSA-N 312.337 -0.275 30 20 DBED N#Cc1cccnc1N1CCC[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 1058231944 WXGDYPRPKGELAU-NWDGAFQWSA-N 314.349 -0.280 30 20 DBED COc1nn(C)cc1C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N 1058282720 NGIAJIKCMRXBFL-JTQLQIEISA-N 323.353 -0.861 30 20 DBED N#Cc1nc(=NC[C@H]2CCN(C(=O)C3=COCCO3)C2)cc[nH]1 1060786953 SOLZKTUTYWPMDF-LLVKDONJSA-N 315.333 -0.081 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)Cc1cnc[nH]1 1061928893 GWSNEZZVQCPAJZ-ZYHUDNBSSA-N 305.338 -0.545 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H]1CCCCN1C(=O)CNC(N)=O 1061997330 MLHAULHRKFZPRW-VXGBXAGGSA-N 324.381 -0.810 30 20 DBED CN(C(=O)c1nnn(C)n1)[C@@H]1CCN(c2ncccc2C#N)C1 1063012152 BQSGKKKGQRRDJA-LLVKDONJSA-N 312.337 -0.172 30 20 DBED N#Cc1nccc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)c2c[nH]c(=O)cn2)n1 1064334552 VGXCKIIFJMMVNP-YACGNSKGSA-N 323.316 -0.561 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)CCc2ncc[nH]2)C1 1065556421 HJSIMFBAAQSGMN-NEPJUHHUSA-N 319.365 -0.154 30 20 DBED C=CCOCC(=O)N1CC2(C1)CN(C(=O)c1cc[nH]n1)CCO2 1068313302 GBVCZIBSVHMLFY-UHFFFAOYSA-N 320.349 -0.334 30 20 DBED C#CCCCC(=O)NC[C@@H]1CCC2(CN(C(=O)C(N)=O)C2)O1 1068562246 BUGXXKQTYDSUJM-NSHDSACASA-N 307.350 -0.849 30 20 DBED C=CCCC(=O)N[C@@H]1COC2(C1)CN(C(=O)CNC(=O)NC)C2 1068756597 FJAWCRASWKGVQH-NSHDSACASA-N 324.381 -0.632 30 20 DBED C#CCCCC(=O)N1CC2(C[C@H](NC(=O)CC(=O)NC)CO2)C1 1068826983 PPPNEDYLSOHOQE-LBPRGKRZSA-N 321.377 -0.588 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)CC(=O)N(C)C)CCOCC1 1070232344 HVOCLPLNOTUJHT-NSHDSACASA-N 324.381 -0.594 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCCN(C(=O)CSC)C1 1070394096 XVROYRFFQWVKAO-LLVKDONJSA-N 311.407 -0.404 30 20 DBED Cn1cnc([C@@H]2CN(C(=O)c3cncn3C)C[C@H]2NCC#N)c1 1070509578 DGAJLMCKQVGCAV-WCQYABFASA-N 313.365 -0.125 30 20 DBED C=CCN1C[C@H]2C[C@H]3CN(C(=O)Cc4nc[nH]n4)C[C@@]3(C1)O2 1070879407 RWTGXWABRRCTDW-YWPYICTPSA-N 303.366 -0.165 30 20 DBED C#CCOCCC(=O)N1C[C@H](C)[C@H](NC(=O)CCNC(N)=O)C1 1072097464 NBMKPVWCIBNPDC-NWDGAFQWSA-N 324.381 -0.952 30 20 DBED C=CCCC(=O)N1CC(N2CCN(C(=O)CNC(C)=O)CC2)C1 1073527776 RFYYFLJQJZFPFE-UHFFFAOYSA-N 322.409 -0.556 30 20 DBED C=CCOCC(=O)NCC[C@H](C)NC(=O)[C@H]1CCC(=O)NC1 1075922477 UJASKSMCPFDHJC-RYUDHWBXSA-N 311.382 -0.274 30 20 DBED C[C@@H](CCNC(=O)c1ccc(C#N)[nH]1)NC(=O)c1cnnn1C 1076177669 KJBRARMGRIFPPU-VIFPVBQESA-N 315.337 -0.047 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H](C)CCNC(=O)CCn1ccnn1 1076283749 GUHBPUSATBSZSZ-QWHCGFSZSA-N 321.381 -0.283 30 20 DBED CC(C)C#CC(=O)N[C@@H](C)CCNC(=O)CN1C(=O)CCC1=O 1076454524 HPJLURFPYVYPIF-LBPRGKRZSA-N 321.377 -0.194 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCC(=O)N2C)C1 1077499491 JHROPVJECPNJSF-IJLUTSLNSA-N 315.801 -0.089 30 20 DBED CC(C)N(C)CC(=O)N1CCC(CO)(NC(=O)[C@@H](C)C#N)CC1 1080983724 VKAJGKBRRGXDQJ-ZDUSSCGKSA-N 324.425 -0.044 30 20 DBED C[C@@H](C#N)C(=O)NC1(CO)CCN(C(=O)c2cnco2)CC1 1080983877 YYLWWJQSUGWZFP-JTQLQIEISA-N 306.322 -0.082 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(C(=O)C2CCC2)C[C@H]1O 1081488175 FARDRFLLKAOIRO-ZIAGYGMSSA-N 308.378 -0.238 30 20 DBED CCCN(C)CC(=O)NC[C@@H]1CN(C(=O)C#CC(C)C)C[C@@H]1O 1081634171 CVQGJUWWSDDUFX-CABCVRRESA-N 323.437 -0.077 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@H](C)N2CCCCC2=O)[C@H](OC)C1 1082383000 DQGZKWHTAXAROU-BFHYXJOUSA-N 307.394 -0.164 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCCN(C(C)=O)C2)C1 1083618880 UHRNIYDXNGLWID-ZNMIVQPWSA-N 307.394 -0.571 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2c[nH]nc2-c2cnn(C)c2)C1 1083936367 JSNKJGAFRPRJPW-OLZOCXBDSA-N 314.349 -0.782 30 20 DBED N#CCN1CC[C@@H]2CN(C(=O)C[C@H]3CCS(=O)(=O)C3)[C@@H]2C1 1084496447 HOSKFCGOEJCYPH-JHJVBQTASA-N 311.407 -0.133 30 20 DBED CCN(c1ccncc1C#N)[C@H](C)CNC(=O)[C@@H]1CNC(=O)N1 1089728911 SLIJEBHNFHOOKB-PWSUYJOCSA-N 316.365 -0.034 30 20 DBED C=C(Cl)CN1CC[C@@H](NC(=O)Cn2cnnc2O)[C@H](O)C1 1090196006 ABMUXNNUCKBDBS-NXEZZACHSA-N 315.761 -0.712 30 20 DBED C#CCN1CC[C@H](NC(=O)c2c(OC)ccnc2OC)[C@@H](O)C1 1090424100 WHOFASGMQKIQNC-RYUDHWBXSA-N 319.361 -0.103 30 20 DBED C=CCN1CC[C@@H](NC(=O)c2cc(=O)c(OC)co2)[C@@H](O)C1 1090432006 HECNRZISTPXHDI-PWSUYJOCSA-N 308.334 -0.001 30 20 DBED Cc1cc(C#N)nc(N[C@H]2C[C@@H](CNC(=O)CNC(N)=O)C2)n1 1091313713 YPQWNYLWSZTFHJ-AOOOYVTPSA-N 317.353 -0.368 30 20 DBED N#Cc1cnc(N[C@@H]2CC[C@H](CNC(=O)CC(N)=O)C2)cn1 1091569224 LRMDIVSLVGDFEU-VHSXEESVSA-N 302.338 -0.080 30 20 DBED N#Cc1cnc(N2CCN(C(=O)C(=O)NCC3CC3)CC2)cn1 1093169715 MKGJOXRTUPIDEJ-UHFFFAOYSA-N 314.349 -0.477 30 20 DBED N#Cc1nc(=NCCNC(=O)[C@@H]2CCCCS2(=O)=O)cc[nH]1 1093922564 LFRLWISXVHTWPE-JTQLQIEISA-N 323.378 -0.734 30 20 DBED Cc1ncncc1C(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1 1094703596 CKAOIBFEWVEGSV-NSHDSACASA-N 314.349 -0.677 30 20 DBED N#Cc1cnc(N[C@@H]2CCN(C(=O)CNC(=O)C3CC3)C2)cn1 1095014991 HUMJMZFHKAGMFB-LLVKDONJSA-N 314.349 -0.113 30 20 DBED CNC(=O)NCC(=O)N1CCC[C@H](Nc2cncc(C#N)n2)C1 1095330212 LQALMCXQGKJPAZ-JTQLQIEISA-N 317.353 -0.320 30 20 DBED C#CCNC(=O)CC(=O)NC1CCN(c2cc(F)ncn2)CC1 1095412239 JCSCFCFZHNQNLV-UHFFFAOYSA-N 319.340 -0.160 30 20 DBED CN(CCCNC(=O)Cn1cncn1)c1cncc(C#N)n1 1095555872 JXTBRZDFYGVSKF-UHFFFAOYSA-N 300.326 -0.418 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H](Nc1ncccn1)C1CC1 1096650495 UCRUBUSFKMGYON-GFCCVEGCSA-N 301.350 -0.077 30 20 DBED CCS(=O)(=O)CC(=O)N[C@H]1C[C@@H](N=c2cc[nH]c(C#N)n2)C1 1097191681 WJYZHNWWBNWAQJ-AOOOYVTPSA-N 323.378 -0.736 30 20 DBED C#CCOCCC(=O)N[C@H]1C[C@@H](Nc2ccc3nnnn3n2)C1 1097218060 GJSODPSLFJFZQC-PHIMTYICSA-N 315.337 -0.382 30 20 DBED C[C@@H](CNC(=O)[C@H]1COCCN1C)N=c1cc[nH]cc1C#N 1097765471 SWOYKGQNESZGEH-SMDDNHRTSA-N 303.366 -0.378 30 20 DBED Cc1cc(=N[C@H](C)CNC(=O)[C@H](C)NC(N)=O)c(C#N)c[nH]1 1097774203 NPBNIYPSYHTLAE-ZJUUUORDSA-N 304.354 -0.343 30 20 DBED C#CCCN(CCO)C1CCN(C(=O)[C@H]2CCC(=O)NC2)CC1 1098416706 DLYKUGYZVQUYTA-AWEZNQCLSA-N 321.421 -0.179 30 20 DBED C=CCN1CCC2(CC1)CN(C(=O)Cn1ncnn1)C[C@H](C)O2 1098600171 VDTDDNOFEXHIDU-ZDUSSCGKSA-N 320.397 -0.059 30 20 DBED CCNC(=O)CC(=O)N1CC[C@@H](n2cc(CNCC#N)nn2)C1 1098661007 ACYZKQHKCGCLRS-GFCCVEGCSA-N 319.369 -0.809 30 20 DBED C#CCCN1CC[C@H](NC(=O)CCn2ccccc2=O)[C@@H](O)C1 1099867529 YAPHTKZDMIISIT-GJZGRUSLSA-N 317.389 -0.187 30 20 DBED Cc1cc(C#N)nc(N(C)CCNC(=O)CN2CCCC2=O)n1 1099921946 NJJVGUQOFVBBOR-UHFFFAOYSA-N 316.365 -0.169 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)C2(C(C)C)CC2)[C@H](O)C1 1099995591 BJSFVTICBNTKLL-ZIAGYGMSSA-N 321.421 -0.277 30 20 DBED C[C@H](C#N)C(=O)NCCN(C)c1cncc(C(=O)N(C)C)n1 1100004699 BHNZNPQZHYGJFO-SNVBAGLBSA-N 304.354 -0.110 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)C(C)(C)S(C)(=O)=O)[C@@H](O)C1 1100021975 FKCBVCSUSQOWLZ-RYUDHWBXSA-N 318.439 -0.063 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2ccnc(C)n2)[C@H](O)C1 1100113608 CUHZNHHOPAWBGW-UKRRQHHQSA-N 318.377 -0.400 30 20 DBED CCN(CCNC(=O)Cn1cnnn1)c1ccncc1C#N 1100439539 HJTSGHCPYFNSBF-UHFFFAOYSA-N 300.326 -0.418 30 20 DBED C=CCCNC1CC(CNC(=O)c2cn(C)c(=O)n(C)c2=O)C1 1100724354 SLOQHPBESVROHQ-UHFFFAOYSA-N 320.393 -0.242 30 20 DBED C#CCN1C[C@@H]2CN(C(=O)CCNS(C)(=O)=O)C[C@]2(C)C1 1101256185 JFXRXPJJBVQQQT-OCCSQVGLSA-N 313.423 -0.661 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)CCNC(N)=O)c3nccn32)C1 1101652366 FLHBMDCTDKFMML-NSHDSACASA-N 316.365 -0.853 30 20 DBED C[C@@](CNc1nccnc1C#N)(NC(=O)CNC(N)=O)C1CC1 1103481089 FHUYMDJMRHJMPK-AWEZNQCLSA-N 317.353 -0.287 30 20 DBED CC#CCNCc1cn(C2CN(C(=O)CC(=O)NCC)C2)nn1 1105219661 JZQHWGVMTJNZPO-UHFFFAOYSA-N 318.381 -0.700 30 20 DBED Cn1cnc(C(=O)NC[C@@H](O)CNc2ncc(C#N)cc2F)n1 1105815145 DEXDVQGFQBTQKT-VIFPVBQESA-N 319.300 -0.576 30 20 DBED Cc1nccn1CC(=O)NC[C@@H](O)CN=c1cc[nH]cc1C#N 1105866834 KTYZUKMCTNMKBL-ZDUSSCGKSA-N 314.349 -0.531 30 20 DBED C#CCOCCC(=O)NC[C@@H](O)CNc1ccc(C#N)nn1 1105967081 UQWQTTLXKLWZSV-LBPRGKRZSA-N 303.322 -0.723 30 20 DBED C[C@@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)c1ccc(O)nn1 1106209331 WBPBUYHETAFWSG-VIFPVBQESA-N 313.321 -0.114 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)CN2CCC(=O)NC2=O)C[C@H]1C 1106843976 POTYCCGFSWJQBA-CHWSQXEVSA-N 320.393 -0.364 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)CCc1cn(C)nn1 1107828345 JNBXNDNHYHHIOB-SNVBAGLBSA-N 314.353 -0.552 30 20 DBED C=CCCN1CCO[C@](C)(CNC(=O)CN2C(=O)CCC2=O)C1 1108386494 FEUORNBUDWMUHD-MRXNPFEDSA-N 323.393 -0.081 30 20 DBED Cn1ncnc1COCC(=O)N1C[C@H]2C[C@H](NCC#N)C[C@H]1C2 1108789135 FKLRYZCBHOQECM-RWMBFGLXSA-N 318.381 -0.176 30 20 DBED CC(=O)NCC(=O)N[C@@H]1[C@H]2C[C@H]1N(c1cncc(C#N)n1)C2 1109670697 IINRZQUJAWOLEY-DRCTWCGVSA-N 300.322 -0.822 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN(C)CCC 1110016374 KUKSRSQOZRILDR-ILXRZTDVSA-N 320.437 -0.201 30 20 DBED N#Cc1nccc(NC2(CNC(=O)Cn3cnnc3O)CC2)n1 1110099139 VXNGVGRDDLQDSO-UHFFFAOYSA-N 314.309 -0.594 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H](NC(=O)C(N)=O)C1CCCC1 1110678508 BSAHAPIQCOFZRX-ZDUSSCGKSA-N 301.350 -0.053 30 20 DBED Cc1nsc(N2CCC[C@@](CO)(NC(=O)C(N)=O)C2)c1C#N 1111364603 ZNYVLDVKWPNWMQ-CYBMUJFWSA-N 323.378 -0.744 30 20 DBED N#Cc1nc(=NCCN(CCO)C(=O)[C@H]2CCOC2)cc[nH]1 1111445876 RMFHQKKYHWDCEC-NSHDSACASA-N 305.338 -0.961 30 20 DBED C#CCNC(=O)CC(=O)N[C@]12CCC[C@H]1CN(CCOC)C2 1111712956 MXFSDHAZXOUSKT-BBRMVZONSA-N 307.394 -0.257 30 20 DBED C[C@H](C(=O)NC(N)=O)N1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 1112771214 MAHDRIBCZMVNCC-SECBINFHSA-N 318.337 -0.772 30 20 DBED C[C@@H](CNC(=O)C(=O)NCC1CC1)N(C)c1ccnc(C#N)n1 1113692065 LKSNITVLHDAGTA-JTQLQIEISA-N 316.365 -0.185 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)c3ccnc(O)c3)[C@H]2C1 1114139731 UFDCJVZBOAUTRM-RYUDHWBXSA-N 316.361 -0.251 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@@H]2CN(Cc3nonc3C)C[C@@H]12 1114157389 DSWJONRNAIVMEX-GHMZBOCLSA-N 317.349 -0.936 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3c(C)cnn3C)[C@H]2C1 1114707621 NROCBIRBQYXVEI-RYUDHWBXSA-N 315.377 -0.862 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)c3cnn4cc[nH]c34)[C@H]2C1 1115168057 OOXRYWLFJWGDAM-WDNDVIMCSA-N 313.361 -0.028 30 20 DBED C#CCOCCN(C)CC(=O)c1c(O)nc(=O)n(CC)c1N 1116401580 LAMDWEZGEBIRGA-UHFFFAOYSA-N 308.338 -0.685 30 20 DBED C#CCN(C)C(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 1116954037 RANHAKNEMBOPQV-UHFFFAOYSA-N 315.333 -0.952 30 20 DBED N#CCCC[C@H](N)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 1118190247 SVUKPECLCRRSHN-LBPRGKRZSA-N 316.365 -0.023 30 20 DBED CN(C)C[C@H]1CCN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)C1 1118249200 FCPZSVCAAIEABJ-IUODEOHRSA-N 308.382 -0.726 30 20 DBED C#CCOCCn1nnnc1N1CCC(CCC(N)=O)CC1 1120162209 SLWBWJLKVQMUMB-UHFFFAOYSA-N 306.370 -0.195 30 20 DBED CN(CCS(C)(=O)=O)C(=O)C(=O)N1CCC[C@H](C#N)C1 1120327401 LPDXPFHXNGTZIJ-SNVBAGLBSA-N 301.368 -0.748 30 20 DBED C=CCOCC(=O)NC1CC2(CC(NCC(=O)NCC#N)C2)C1 1120827048 DMNRARIDBWYDJL-UHFFFAOYSA-N 320.393 -0.154 30 20 DBED Cc1cc(C(=O)NC[C@@H](CO)Nc2cnc(C#N)cn2)n(C)n1 1121149539 BANQWEOWCYNVPN-NSHDSACASA-N 315.337 -0.407 30 20 DBED N#Cc1cncc(N[C@H](CO)CNC(=O)Cc2ncc[nH]2)n1 1121976529 ALQDZWHRLWTOEL-JTQLQIEISA-N 301.310 -0.797 30 20 DBED COC[C@H](C)CC(=O)NC[C@@H](CO)Nc1nccnc1C#N 1121984563 JFBAPEIADYVHAT-MNOVXSKESA-N 307.354 -0.090 30 20 DBED C[C@H]1C[C@@H](N=c2cc[nH]c(C#N)n2)CN1C(=O)CCCC(N)=O 1123243710 PULBXIMJZJXFBO-WDEREUQCSA-N 316.365 -0.173 30 20 DBED CN(C[C@H](O)CNc1nccnc1C#N)C(=O)Cn1cccn1 1124117205 OYFFLXZNTMEVMU-LLVKDONJSA-N 315.337 -0.524 30 20 DBED CN(C[C@@H](O)CNc1ccc(C#N)nc1)C(=O)C1(C(N)=O)CC1 1124699312 QCEACGBCPUHHKK-LBPRGKRZSA-N 317.349 -0.550 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)c1cccc(O)n1 1125296859 NKXDOPCZINNHTH-UHFFFAOYSA-N 321.337 -0.882 30 20 DBED CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)c1c[nH]c(C#N)c1 1125994939 QAEHEPGDVBLAKM-MRVPVSSYSA-N 306.326 -0.950 30 20 DBED CC(C)C#CC(=O)NCCN[C@H]1CCN(c2cnn(C)c2)C1=O 1126822629 FACSQIUVIPMRTR-AWEZNQCLSA-N 317.393 -0.109 30 20 DBED C=C(C)CN(CC)C(=O)CNCCNC(=O)Cn1nccn1 1128268694 BTVBVCXJKDALPK-UHFFFAOYSA-N 308.386 -0.592 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)COCc1ccnn1C 1130122119 KZUNAVFVCVLVKO-GFCCVEGCSA-N 323.397 -0.667 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@H]1CCn2cc(C)nc2C1 1130240779 BFOZJTOFTANPCC-ZDUSSCGKSA-N 319.409 -0.238 30 20 DBED C=CCN[C@@H]1CN(C(=O)CN(C)C(C)=O)C[C@H]1c1cn(C)cn1 1130502604 UEJSOCNESYLJFH-DZGCQCFKSA-N 319.409 -0.032 30 20 DBED C=CCO[C@@H](C)C(=O)N1C[C@@H]2C[C@@H]3CN(CC(N)=O)C[C@]2(C1)O3 1131298259 YIHLQLRFPKAXRE-BCUIYNNISA-N 323.393 -0.636 30 20 DBED C[C@H]1CC[C@H](NC(=O)CSCC#N)CN1CC(=O)NCC#N 1131825039 GEKIHFAIKKVLAC-RYUDHWBXSA-N 323.422 -0.148 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)[C@@H]1[C@H]2COC[C@H]21 1132616512 YFUPCLVYFDZSLK-NHAGDIPZSA-N 307.394 -0.215 30 20 DBED COCC(=O)N(C)CC(=O)N1CC[C@H](C)[C@@H](CNCC#N)C1 1132874729 MAMRPSBKSRSFQD-STQMWFEESA-N 310.398 -0.311 30 20 DBED C=C[C@@](C)(CC)C(=O)NCCNCC(=O)N1CCNC(=O)C1 1133378394 DZGFXUKFWHCOGA-HNNXBMFYSA-N 310.398 -0.747 30 20 DBED C#Cc1cncc(C(=O)NCCN[C@H]2CCC(=O)NC2=O)c1 1133593006 JTWXFPGCMBPYPW-LBPRGKRZSA-N 300.318 -0.813 30 20 DBED C[C@@H](C[C@H](C)NC(=O)C#CC1CC1)NCCNS(C)(=O)=O 1134321250 GHXFXBZLCHABCS-RYUDHWBXSA-N 315.439 -0.178 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)c2cn(CC=C)nn2)C1=O 1134970041 OYQSMMAADGMQFD-LBPRGKRZSA-N 318.381 -0.430 30 20 DBED C[C@@H](C[C@@H](C)NCC#N)NC(=O)Cn1nc2ccccn2c1=O 1135167263 STBWVAIGERBWLQ-NEPJUHHUSA-N 316.365 -0.108 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC2(CN(C(=O)c3ncc[nH]3)C2)C1 1147498528 CCVVRYWKALTBQR-LBPRGKRZSA-N 315.377 -0.305 30 20 DBED COCC#CCN1CCC2(C1)CN(C(=O)[C@]1(C)CCC(=O)N1)C2 1148235553 QCDZCZNNLNRIRH-INIZCTEOSA-N 319.405 -0.161 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC2(CN(C(=O)c3cnon3)C2)C1 1148471761 OGBFDZRFKMEZTA-LLVKDONJSA-N 317.349 -0.645 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)NCCN[C@H](CC)C(N)=O 1152404797 LJFFCZFVAQLUBJ-SNVBAGLBSA-N 313.402 -0.780 30 20 DBED CC#CCN(CC)[C@H](C)CNC(=O)[C@H](CCC(N)=O)NC(C)=O 1155857923 ZGVUNHBGMADWLY-OCCSQVGLSA-N 324.425 -0.394 30 20 DBED C=CCN(CC)[C@H](C)CNC(=O)[C@H](C)NC(=O)Cn1cnnn1 1156264438 RAYVPHDYXLSCKM-NEPJUHHUSA-N 323.401 -0.810 30 20 DBED C#CCCCC(=O)NCCCNCC(=O)N[C@@H](C)C(=O)N(C)C 1157183058 NAHGIOBRRFFPLD-ZDUSSCGKSA-N 324.425 -0.521 30 20 DBED CN1CC[C@@H](C(=O)NCCC2(CNCC(=O)NCC#N)CC2)C1 1168137461 OAZWFLBRHVRNCD-CYBMUJFWSA-N 321.425 -0.546 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@H]1CCc2n[nH]cc2C1 1171048141 YQPUPVUDLZMIDO-LBPRGKRZSA-N 319.409 -0.087 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)CCCCC(N)=O)C[C@H]21 1177130595 DGRMPVAETPOYHI-ZIAGYGMSSA-N 307.394 -0.033 30 20 DBED C[C@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)CCc1cnc[nH]1 1178853022 JQENVUAUFBZSRP-AAEUAGOBSA-N 318.381 -0.439 30 20 DBED CCC[C@H](C(=O)N1CC[C@H](NCC#N)[C@@H]1C)S(N)(=O)=O 1179229797 FUJWOUKCRQOACC-GARJFASQSA-N 302.400 -0.454 30 20 DBED C[C@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 1179569076 CAJWHMVOHDROHU-ZSLBOAEBSA-N 320.393 -0.227 30 20 DBED N#Cc1ccc(CN[C@@H]2CCN(C(=O)CNC(N)=O)C2)cc1 1180907042 PQXIMGIBWMLLLT-CYBMUJFWSA-N 301.350 -0.083 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)c2ccn3nnnc3c2)C1 1184799659 CWMRNBQWJHWECC-CYBMUJFWSA-N 314.349 -0.422 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)Cc2ccn(C)n2)C1 1190067727 SKMBQBJZJVXODC-AWEZNQCLSA-N 319.409 -0.203 30 20 DBED CCN1CCOC[C@@H]1C(=O)N1CC[C@H](N(C)CC#CCOC)C1 1191060736 CMRNFXNLYUADAM-JKSUJKDBSA-N 323.437 -0.110 30 20 DBED C=CCOCCN(C)[C@@H]1CCN(C(=O)[C@H]2CN(C)C(=O)N2)C1 1191721604 YUJKCHBATJSPCC-CHWSQXEVSA-N 310.398 -0.255 30 20 DBED CC(C)COC[C@@H](O)CN1C[C@@H](O)[C@H](NC(=O)C#CC2CC2)C1 1192827100 PKHGICJUEOJPQT-ARFHVFGLSA-N 324.421 -0.405 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2nccnc2C)C[C@H]1O 1192891817 QIZGKSQQHDFDIN-NWANDNLSSA-N 318.377 -0.515 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)CCc2c(C)nn(C)c2C)C1 1195109429 CBXLVXCKGIMYIW-HUUCEWRRSA-N 304.394 -0.236 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)C(C)(C)C=C)C1 1195333812 NYIQQLQUXBRLLM-YNEHKIRRSA-N 307.394 -0.502 30 20 DBED C=CCNC[C@@H]1CN(C(=O)CCNC(=O)COC)CCCO1 1200634616 HIGBWZAGNKPIQN-CYBMUJFWSA-N 313.398 -0.468 30 20 DBED C#CCNC1CCN(C(=O)CS(=O)(=O)N(CC)CC)CC1 1202721765 XSFFJNGQGCRJTG-UHFFFAOYSA-N 315.439 -0.128 30 20 DBED CCS(=O)(=O)NCC(=O)N1CCC(CNCC#N)CC1 1205415650 FPPABVOFZVOBRB-UHFFFAOYSA-N 302.400 -0.723 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)c2cnsn2)C1 1207500300 YKTXBTMRWNFNDR-GHMZBOCLSA-N 321.406 -0.130 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)Cc2nc[nH]n2)C1 1210586267 WGKZEDDMJQWIBR-NSHDSACASA-N 306.370 -0.770 30 20 DBED COCC#CCN[C@@H]1CCCN(C(=O)c2c[nH]c(C(N)=O)c2)C1 1211099046 XEDQDGDEDAWYLG-CYBMUJFWSA-N 318.377 -0.042 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](NCCn2cccn2)[C@H](C)C1 1214474111 ZPQQQTKSXWABBG-ZIAGYGMSSA-N 317.393 -0.541 30 20 DBED C=CCCN[C@@H]1CN(C(=O)C[C@H](NC(C)=O)C(N)=O)C[C@H]1C 1215802484 FGNVFHCMKKXVGP-KGYLQXTDSA-N 310.398 -0.621 30 20 DBED CC(C)(C)C#CC(=O)N1CCO[C@@H]2CN(CCOCCO)C[C@@H]21 1217843926 MWRFFPRZPKIQFE-LSDHHAIUSA-N 324.421 -0.044 30 20 DBED C=CCCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CNC(=O)N1 1218541949 DROSPCCSVKARQO-FRRDWIJNSA-N 308.382 -0.454 30 20 DBED COc1cc(CN2C[C@H](O)[C@H](NC(=O)[C@H](C)C#N)C2)sn1 1219378707 CNNULPLREJEATL-IEBDPFPHSA-N 310.379 -0.027 30 20 DBED CCCn1nnnc1CN1C[C@H](O)[C@H](NC(=O)C#CC(C)C)C1 1219587360 BUECTMQZUHWUCG-OLZOCXBDSA-N 320.397 -0.596 30 20 DBED C=CCC[C@H](C)N1C[C@H](O)[C@H](NC(=O)c2cc(=O)n(C)cn2)C1 1219822128 FEZYNJSXLIGPEP-YUTCNCBUSA-N 320.393 -0.090 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)CS(=O)(=O)CCCC)C1 1221105524 NQHZEJGQSVCBHV-OLZOCXBDSA-N 316.423 -0.614 30 20 DBED C=CCNC(=O)[C@H](C)N1CC[C@@H]2CN(C(=O)CNC(C)=O)[C@@H]2C1 1221238283 VLJWYTLHCDVVNL-IACUBPJLSA-N 322.409 -0.654 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCC(NC(=O)[C@H](C)NC(C)=O)CC1 1225963924 KCZXPHWWFFZXSK-NWDGAFQWSA-N 324.425 -0.218 30 20 DBED COCC#CCN1CCC(NC(=O)[C@@]2(C)CCNC2=O)CC1 1229178117 HCEAIYVXBGWOTG-INIZCTEOSA-N 307.394 -0.257 30 20 DBED C#CCN[C@@H]1CCCC[C@H]1NC(=O)COCc1nncn1C 1229434185 SGSPDPROUYJZTM-CHWSQXEVSA-N 305.382 -0.018 30 20 DBED C=C[C@](C)(O)CC(=O)N(C)C[C@H]1CCN1CCS(C)(=O)=O 1233977764 ORAFSOXPQXYLRK-OCCSQVGLSA-N 318.439 -0.109 30 20 DBED COCC#CCN1CC[C@H](NC(=O)[C@H](C)CN2CCOCC2)C1 1318300918 GOOKWGSCYMPRHA-CVEARBPZSA-N 323.437 -0.205 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCOC[C@H]1CC 1323764333 BFRLYVSVCUVTFW-LLVKDONJSA-N 318.395 -0.659 30 20 DBED C=CC[C@@H](CO)CNC(=O)C(=O)Nc1cnn(CCOC)c1 1324887820 PFVDTMWPISRGJB-LLVKDONJSA-N 310.354 -0.231 30 20 DBED CC(C)n1ccc(CNC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)n1 1326098083 IZSNMVSDLFJWAG-HNNXBMFYSA-N 319.365 -0.043 30 20 DBED C=CCN(C(=O)C(=O)NCC[S@@](=O)CC)[C@H](C)COC 1330446102 APZYBNMIMYOSLA-GIPWTMENSA-N 304.412 -0.079 30 20 DBED C=CC[C@@H](NC(=O)C(C)(C)NS(C)(=O)=O)C(=O)OCC 1337799693 JSLWEXYOBWYAMC-SECBINFHSA-N 306.384 -0.062 30 20 DBED C#Cc1ccc(NC(=O)C(=O)N2CC(NS(C)(=O)=O)C2)cc1 1339982124 MPDIKBXUAXZZGR-UHFFFAOYSA-N 321.358 -0.634 30 20 DBED C=CCn1nnnc1N1CCC(N2CCC[C@H]2C(N)=O)CC1 1340209639 YACNLTDQRDRMSI-LBPRGKRZSA-N 305.386 -0.222 30 20 DBED C#CCOCCNC(=O)C(=O)N1CC(=O)N[C@H]2CCCC[C@H]21 1342446177 QYFUEKKVIMETKY-NWDGAFQWSA-N 307.350 -0.978 30 20 DBED N#C[C@@H](C(=O)c1cccnc1)C(=O)N1CCS(=O)(=O)CC1 1342560376 OPCVRHYWVXOXDM-NSHDSACASA-N 307.331 -0.339 30 20 DBED C=CCNC(=O)Cn1nnnc1N1CCOCC(F)(F)C1 1343874609 KLMNXCWLUHGGPI-UHFFFAOYSA-N 302.285 -0.553 30 20 DBED CC#CCN(C)C(=O)C(=O)Nc1ccc(=O)n(CCOC)c1 1343950967 VGRPKVBMRHEVGK-UHFFFAOYSA-N 305.334 -0.085 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N1CC[C@@](F)(CO)C1 1352717908 UPTBRPVHVZJXAN-RISCZKNCSA-N 300.330 -0.536 30 20 DBED COC(=O)C1(C#N)CCN(C(=O)CN2CCC(=O)NC2=O)CC1 1361545816 MLCGWGMNWFAROR-UHFFFAOYSA-N 322.321 -0.766 30 20 DBED C[C@@H]1CN(C(=O)Cn2cc(C#N)c(O)nc2=O)C[C@H](C2CC2)O1 1362603004 DEFHNXQSAIIWFM-BXKDBHETSA-N 318.333 -0.154 30 20 DBED N#Cc1ccc(CNC(=O)NC[C@]2(O)CCS(=O)(=O)C2)cc1 1364216643 OMRDQTSTJLAYMJ-CQSZACIVSA-N 323.374 -0.093 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(CCNC(=O)[C@@H]2CCCN2C)CC1 1372208331 JGUIWDYLOBHKLL-KBPBESRZSA-N 321.425 -0.499 30 20 DBED CNC(=O)NC(=O)[C@H](C)N(CCNC(=O)[C@@H](C)C#N)C1CC1 1372776726 LIUNXCKQYWICLC-UWVGGRQHSA-N 309.370 -0.429 30 20 DBED C=C(Cl)CNC[C@H](C)N(C)C(=O)CN1CCN(C)C(=O)C1 1374248535 WGOBGBWUYDGAPS-LBPRGKRZSA-N 316.833 -0.051 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]1CNC(=O)CN(C)C(=O)C1CC1 1389660830 GRVQHBJJIWHDAY-PWSUYJOCSA-N 306.366 -0.268 30 20 DBED C[C@@H](CNC(=O)CNC(=O)C1CC1)NC(=O)c1c[nH]c(C#N)c1 1392762694 YDXMAUVIZNRZLT-VIFPVBQESA-N 317.349 -0.353 30 20 DBED CCS(=O)(=O)CCn1c(C)nnc1N1CCO[C@@H](C#N)C1 1396067143 XDMFRKWTVQIAFE-NSHDSACASA-N 313.383 -0.250 30 20 DBED C=C(Cl)CN[C@H](C)CNC(=O)CN1CCC(=O)NC1=O 1399114083 VSCPXOYCZZIUPI-SECBINFHSA-N 302.762 -0.225 30 20 DBED N#CC1(c2ccccn2)CCN(C(=O)[C@@H](CO)NC(N)=O)CC1 1412888549 VXVXSLBVMYURLZ-LLVKDONJSA-N 317.349 -0.505 30 20 DBED CC(=O)N(C)CC(=O)NC[C@@H]1CCN1C(=O)c1ccc(C#N)[nH]1 1416991913 GFIBFGRHKKOMNX-LBPRGKRZSA-N 317.349 -0.305 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@@H]1CCN(C(=O)CCn2ccnn2)C1 1429579327 DYYWUEVEFWDWQQ-NWDGAFQWSA-N 304.354 -0.113 30 20 DBED C=C(Cl)CNC[C@H](O)CNC(=O)[C@H]1CCN(C)C(=O)C1 1445218980 YEEXCZMWRPBGCY-QWRGUYRKSA-N 303.790 -0.326 30 20 DBED CN(C(=O)Cn1cc(C#N)c(O)nc1=O)[C@@H]1CC(C)(C)OC1=O 1450333822 IXSIPRFSYROUNN-SECBINFHSA-N 320.305 -0.627 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)Cc2cnn(C)c2)C1 1459648196 JFCUFEHWKDLPPD-NHYWBVRUSA-N 319.365 -0.798 30 20 DBED CNC(=O)NCCC(=O)NC[C@H]1CCCN(C(=O)[C@H](C)C#N)C1 1494279768 OSXLOAGUYHUDBJ-VXGBXAGGSA-N 323.397 -0.180 30 20 DBED C[C@H](CCNC(=O)CCn1ncn(C)c1=O)NC(=O)[C@H](C)C#N 1495602628 FYGMOBKRRVBFGP-GHMZBOCLSA-N 322.369 -0.857 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCCN([C@@H](C)C(=O)NC(N)=O)C2)C1 1506854727 DINOKTNNMFYRHY-QWRGUYRKSA-N 321.381 -0.346 30 20 DBED N#Cc1cn(CC(=O)N2CCC[C@@H](C(=O)O)C2)c(=O)nc1O 1574249119 SMVKTECIXDJUFD-MRVPVSSYSA-N 306.278 -0.856 30 20 DBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C[C@@H](O)CN 1576815264 KXHZVADISXRUHE-GHMZBOCLSA-N 304.354 -0.905 30 20 DBED O=C(CCN/C(O)=C1\N=CC=CC1=O)N[C@H]1COC2(CNC2)C1 1580536392 MQHUWVLBSDJKEC-WBNXYMAISA-N 320.349 -0.850 30 20 DBED C#CC[C@@H](CO)NC(=O)COc1cccc(-c2nn[nH]n2)c1 1588332392 ZOQGOANUIGZAFO-NSHDSACASA-N 301.306 -0.254 30 20 DBED C#CCCS(=O)(=O)NC(=O)c1cccc(-c2nn[nH]n2)c1 1588347263 LQEMNFBYJCRRNW-UHFFFAOYSA-N 305.319 -0.050 30 20 DBED C#CCN1CCC[C@H](NC(=O)NCCC(=O)NCCC(=O)O)C1 1588477042 UMWSNQSLIOUZOT-LBPRGKRZSA-N 324.381 -0.636 30 20 DBED N#Cc1cccc(-c2nn[nH]n2)c1NCCN1CCNC(=O)C1 1592699710 JCONATRDZFEXTG-UHFFFAOYSA-N 312.337 -0.418 30 20 DBED O=C(C#CC1CC1)NCC1(N=c2cc[nH]c(-c3nn[nH]n3)n2)CC1 1592767302 ALZGOOWPVHTOGV-UHFFFAOYSA-N 324.348 -0.447 30 20 DBED COCC#CCN1CCC(CO)(NC(=O)[C@H]2C[C@@H]2C(=O)O)CC1 1599139760 YFLVERISEOAIJE-STQMWFEESA-N 324.377 -0.700 30 20 DBED C[C@@H](C#N)C(=O)NC/C=C\CN=c1cc[nH]c(-c2nn[nH]n2)n1 1602982951 BQDWUEYDJWZLTH-XADBCAIWSA-N 313.325 -0.677 30 20 DBED Cn1nc(C(=O)O)cc1CN1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1605538797 IDVNORCDDPAWHX-ZANVPECISA-N 324.362 -0.512 30 20 DBED N#CCN(C1CC1)S(=O)(=O)c1cncc(-c2nn[nH]n2)c1 1609495339 DTJYSELEVMOXDM-UHFFFAOYSA-N 305.323 -0.062 30 20 DBED CC(C)(C)C[C@H](NS(=O)(=O)N1CCO[C@H](C#N)C1)C(=O)O 1609656413 UJFYUJMHASHEOO-ZJUUUORDSA-N 319.383 -0.065 30 20 DBED CC#CCN1CCN(CCNC(=O)[C@@H](C)S(C)(=O)=O)CC1 1752366821 AQWHHHXLEIYYOE-CYBMUJFWSA-N 315.439 -0.823 30 20 DBED C=CCNC(=O)CN[C@H]1C[C@@H](NC(=O)CN2CC[C@@H](C)C2)C1 1752767148 XKLCWTSAYZQZDG-MCIONIFRSA-N 308.426 -0.133 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC[C@@H]1CNC(=O)c1cnsn1 1753096920 ADIXTKVPLLWAGC-GHMZBOCLSA-N 321.406 -0.130 30 20 DBED C#CCNC(=O)CN1CC[C@@H](CCNC(=O)Cc2cc[nH]n2)C1 1753325292 SVSREIAZVMXHTC-CYBMUJFWSA-N 317.393 -0.470 30 20 DBED C#CCOCCC(=O)N1C[C@@H]2C[C@H]1CN2[C@@H]1CCN(C)C1=O 1753421186 YZBQEPORLHECHG-MELADBBJSA-N 305.378 -0.458 30 20 DBED C#CCN1CC[C@@H](N(CC)C(=O)CCNS(C)(=O)=O)C1 1753457216 LZSNZZBBTSJWAV-GFCCVEGCSA-N 301.412 -0.518 30 20 DBED CC(C)[C@@H](CNC(=O)CCS(=O)(=O)N(C)C)NCC#N 1753845951 VIJDSWJSVFFTDO-LLVKDONJSA-N 304.416 -0.478 30 20 DBED CCCCNC(=O)NC(=O)CNC[C@@H](C)NC(=O)[C@@H](C)C#N 1754220934 RMMKNEHWXJHDHB-WDEREUQCSA-N 311.386 -0.134 30 20 DBED C#CCNC(=O)CN1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1cc(C)no1 1754418853 ITEOQBZLQZAHEK-UHIISALHSA-N 302.334 -0.465 30 20 DBED C=CCOCC(=O)NC[C@@]1(O)CCN([C@@H](C)c2nnnn2C)C1 1754746808 ZWVCCKMXSBGMFD-FZMZJTMJSA-N 324.385 -0.973 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(Cc2cnc(C)cn2)C1 1754767200 LUHZIGJSSJVJJE-ZDUSSCGKSA-N 318.377 -0.514 30 20 DBED C#CCN[C@]1(CO)CCCN(C(=O)[C@H]2CCCCN2C(N)=O)C1 1755090359 KSCPLPWTJNSOGV-CZUORRHYSA-N 322.409 -0.504 30 20 DBED C=CCNC(=O)CN[C@H]1CN(C(=O)c2cn(CC)nn2)C[C@H]1C 1755117429 FUHXCKLQJHINAV-NEPJUHHUSA-N 320.397 -0.350 30 20 DBED COCC#CCN1CC[C@H](NC(=O)CS(C)(=O)=O)C[C@H]1C 1755157402 IAAYXYBYBAMSNN-OLZOCXBDSA-N 316.423 -0.350 30 20 DBED CC#CCN1CCC(CO)(NC(=O)CCC(=O)NCC)CC1 1755179076 BTGQWVUKUVOBGT-UHFFFAOYSA-N 309.410 -0.131 30 20 DBED C=CCN[C@H](C)[C@H]1CN(C(=O)CCNC(=O)COC)CCO1 1755442962 ZDMMRQOWHRPQQC-CHWSQXEVSA-N 313.398 -0.469 30 20 DBED C=CCOCC(=O)N[C@H]1C[C@H](CNCC(=O)NC(=O)NC)C1 1755467289 RYMWZUQFGFYJFZ-XYPYZODXSA-N 312.370 -0.871 30 20 DBED CN(CC#N)CCOCCNC(=O)c1ccnc2c1CC(=O)N2 1755541834 OCDSUSXOJPCXPH-UHFFFAOYSA-N 317.349 -0.222 30 20 DBED C[C@H]1C[C@H](NCCS(C)(=O)=O)CN1C(=O)CSCC#N 1755668688 GPFRYGGJOAWVKN-QWRGUYRKSA-N 319.452 -0.133 30 20 DBED C#CCOCCC(=O)N1C[C@H](NCC(=O)NCC#N)C[C@@H]1C 1755678121 GPZSOJGTKNUZAS-QWHCGFSZSA-N 306.366 -0.755 30 20 DBED CC#CCN1CCC[C@H](NC(=O)CS(=O)(=O)NC)[C@@H]1C 1755721541 OHFZUOKJVMNJMR-RYUDHWBXSA-N 301.412 -0.472 30 20 DBED COCC#CCN1CCC[C@H](NC(=O)CCn2cnnn2)[C@@H]1C 1755723187 QOQQIMKWUDKOMO-KBPBESRZSA-N 320.397 -0.318 30 20 DBED C=CCN[C@@H]1CN(C(=O)C[C@H](NC(C)=O)C(N)=O)CC1(C)C 1755763345 FHDFSOMEMCTOTN-NWDGAFQWSA-N 310.398 -0.621 30 20 DBED C#CCNC[C@H](O)CN(C)C(=O)c1cnn(CCOC)c1C 1755779304 HPMZFEDPHNJHTA-ZDUSSCGKSA-N 308.382 -0.506 30 20 DBED C=CCN1CCC([C@@H](C)NC(=O)C[C@@H]2NC(=O)NC2=O)CC1 1755843383 FYBWUNNKZWBZPY-PWSUYJOCSA-N 308.382 -0.013 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)[C@@H](C)NC(=O)C1CCOCC1 1755945994 ORKGJYFUBNVFQN-VXGBXAGGSA-N 323.393 -0.438 30 20 DBED C[C@@H](CCCNC(=O)CCNC(N)=O)NC(=O)C#CC1CC1 1756304998 ZQKMJNSYVYUFOD-NSHDSACASA-N 308.382 -0.141 30 20 DBED C[C@H](C(=O)NC[C@H](CO)NC(=O)C#CC(C)(C)C)n1cncn1 1756514177 TUJMEPQRVXXWRM-VXGBXAGGSA-N 321.381 -0.518 30 20 DBED C=CCCC(=O)NC[C@@H](CO)NC(=O)[C@@H]1CC(=O)N(CC)C1 1756518598 KEBYUINSRWMLHK-NEPJUHHUSA-N 311.382 -0.586 30 20 DBED CN(C[C@H](O)CNC(=O)Cc1cccnc1)C(=O)C#CC1CC1 1756661645 BSHUTBHABXOHKD-OAHLLOKOSA-N 315.373 -0.027 30 20 DBED COCCOCC(=O)N1C[C@@H]2CCN(C(=O)[C@H](C)C#N)[C@@H]2C1 1756971627 OHAGJODLNDUBBO-FRRDWIJNSA-N 309.366 -0.132 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@H](NC(=O)/C=C\c2ccc[nH]2)C1 1756992202 RKXBAJTWZCXNHA-HLMASZERSA-N 319.361 -0.082 30 20 DBED C=CCCC(=O)N1CC[C@H](NC(=O)c2cnn(C)c2N)[C@H](O)C1 1757567342 QZGZWILIKMTRHX-NWDGAFQWSA-N 321.381 -0.340 30 20 DBED CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccnc(C#N)n1 1771769937 MXYWBFVRGVTMKI-VIFPVBQESA-N 309.351 -0.912 30 20 DBED N#CCC(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CCOC3)C2)C1 1784712599 DDALTOLJIVCJLJ-SWLSCSKDSA-N 307.350 -0.234 30 20 DBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)C3CCC3)C2)C1 1839806721 IVSIDZBKMNMBLI-MRXNPFEDSA-N 306.362 -0.124 30 20 DBED C#CC(=O)N1CCCC12CN(C(=O)COc1cccnn1)C2 1845960849 UAJSZIFNBLNMPH-UHFFFAOYSA-N 300.318 -0.308 30 20 DBED CN(C)C(=O)CNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 42392656 NJEYZVRHFPNHRR-UHFFFAOYSA-N 323.374 -0.323 30 20 DBED C[C@H](CNc1c(C#N)c(=O)n(C)c(=O)n1C)CN1CCOCC1 77995729 SKGJCMLFGIKFRF-LLVKDONJSA-N 321.381 -0.664 30 20 DBED C=CCNC(=O)NC(=O)CN1CCCN(C(=O)C2CC2)CC1 121219837 TUEJTYBGVOZZKG-UHFFFAOYSA-N 308.382 -0.058 30 20 DBED N/C(=N\CCCO[C@@H]1CCOC1)NCCCN1CCOCC1 134042317 UCIMGSCQBUVXPN-CQSZACIVSA-N 314.430 -0.191 30 20 DBED C=CCNC(=O)NC(=O)CN1CCN(CC(C)(C)O)[C@@H](C)C1 189887223 ZYSTUEHDHIIXIZ-LBPRGKRZSA-N 312.414 -0.225 30 20 DBED C#CCNC(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 264730705 NAYNDLGHMOXXHX-LLVKDONJSA-N 303.384 -0.593 30 20 DBED COC(=O)CN(CCN1CCOCC1)C(=O)c1c[nH]c(C#N)c1 272375619 UXKHRPHNZNRTSR-UHFFFAOYSA-N 320.349 -0.166 30 20 DBED C=CCS(=O)(=O)CCNC(=O)NCCN(C)CCOC 272807344 GCCAMQZGBVLOIT-UHFFFAOYSA-N 307.416 -0.535 30 20 DBED C#CCN(C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C)C1CC1 274007628 GFXOGCQEPSZUMR-UHFFFAOYSA-N 312.329 -0.130 30 20 DBED C#CCOc1ccccc1NC(=O)C(=O)NCCNC(C)=O 274753217 VRRPZUBJVSOHBC-UHFFFAOYSA-N 303.318 -0.111 30 20 DBED C#CCN(CC#N)C(=O)[C@@H](C)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 281485366 IBVOTFFXCGCHOG-VEGXAWMVSA-N 315.329 -0.477 30 20 DBED C#C[C@@H](NC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)C(C)C 281921435 HAFRPCABTDTXNF-XMKDAVRRSA-N 304.346 -0.077 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC(n2cnc(C(N)=O)c2N)CC1 284351736 SBPKTJODDJZBAB-JTQLQIEISA-N 318.381 -0.661 30 20 DBED N#Cc1ccc(S(=O)(=O)CCN2CCO[C@@H](C#N)C2)nc1 290154876 CVXLZYQJUSFQHK-LBPRGKRZSA-N 306.347 -0.049 30 20 DBED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)C(=O)NC)cc1 293647693 BHCAWDFKRSYHMP-JTQLQIEISA-N 323.374 -0.538 30 20 DBED N#CCCN1CCN(C(=O)c2cn(C3CCNCC3)nn2)CC1 322556018 CAKACEBROSJKDF-UHFFFAOYSA-N 317.397 -0.126 30 20 DBED COCCN1CN(/C(O)=N/[C@H]2CCN(C(C)C)C2=O)CC1=O 328665774 CGIFSSCFHKWHGY-NSHDSACASA-N 312.370 -0.342 30 20 DBED CC(C)N1C(=O)C[C@@H](NS(=O)(=O)N(C)CCC#N)C1=O 331160212 ZXTCNDZWRKJJKC-SECBINFHSA-N 302.356 -0.798 30 20 DBED CC/N=C(/O)NC(=O)CN1CCC[C@@H]1CS(=O)(=O)NC 331195855 YBJMMGSONFIEKZ-SECBINFHSA-N 306.388 -0.950 30 20 DBED CC1CCC2(CC1)NC(=O)N(CC(=O)NCC#CCO)C2=O 331641451 MVWUXSQTQNDRKV-UHFFFAOYSA-N 307.350 -0.401 30 20 DBED CCOC(=O)[C@@H](C)CNS(=O)(=O)N1CCO[C@@H](C#N)C1 336890136 IXNVJSIIOPTDQR-UWVGGRQHSA-N 305.356 -0.756 30 20 DBED C[C@H](CNS(=O)(=O)N1CCO[C@@H](C#N)C1)CN1CCCC1 336929013 XXPNCCSEGIVQOE-OLZOCXBDSA-N 316.427 -0.223 30 20 DBED CC1(CNS(=O)(=O)N2CCO[C@H](C#N)C2)CCOCC1 336932116 CEMBGIZWAJOVNZ-LLVKDONJSA-N 303.384 -0.138 30 20 DBED CCN(CCCN(C)C)S(=O)(=O)N1CCO[C@H](C#N)C1 337162437 VPMXCYXXEAGOCM-GFCCVEGCSA-N 304.416 -0.271 30 20 DBED COCCOc1ncccc1CNC(=O)NCC(=O)NCC#N 344316052 YGIHUEKDNLTKPJ-UHFFFAOYSA-N 321.337 -0.454 30 20 DBED CCOCCO[C@H]1CCN(C(=O)NCCn2cnc(C#N)n2)C1 347632935 LUIBQWBTVWEVPT-LBPRGKRZSA-N 322.369 -0.013 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(C)CC2CCOCC2)C1=O 348066015 XQNOCIATJYFARK-UHFFFAOYSA-N 323.349 -0.152 30 20 DBED CC[C@](C)(C#N)C(=O)N[C@H](C)C(=O)N1CCS(=O)(=O)CC1 352429606 ZJMYPCJFYSLLGW-ZWNOBZJWSA-N 315.395 -0.312 30 20 DBED CC(C)(NS(C)(=O)=O)C(=O)NC[C@H]1CCCN(CC#N)C1 359414141 PECJBJWNYDLBRD-LLVKDONJSA-N 316.427 -0.334 30 20 DBED C=CCNC(=O)CNS(=O)(=O)c1scnc1C(=O)OC 360843752 BLZAMHROQLATPX-UHFFFAOYSA-N 319.364 -0.490 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCOC[C@]12CCOC2 369501759 ULHGMAZCVRRPTQ-NWDGAFQWSA-N 303.384 -0.186 30 20 DBED C#CC(C)(C)NC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 490656062 HDRQYHXVYJHVTG-GHMZBOCLSA-N 312.391 -0.450 30 20 DBED C#CCN(C(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C)C1CC1 491636079 SRWQAMUKYGCTPA-UHFFFAOYSA-N 314.345 -0.187 30 20 DBED C[C@@H](C#N)CNC(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 611624035 QHBNPOJZWIJAFU-UONOGXRCSA-N 309.414 -0.148 30 20 DBED C#Cc1ccc(C(=O)N(C)CC(=O)N2CCN(C)CC2)nc1 728982821 QLEMKUHMIIIRDR-UHFFFAOYSA-N 300.362 -0.091 30 20 DBED C#CCOCCNC(=O)c1cnn2c1C[C@H](CNC(C)=O)CC2 753308908 AVNLDXKJRYVZQL-CYBMUJFWSA-N 318.377 -0.039 30 20 DBED C#CCOCCOC(=O)CCc1nc2c(O)nc(=O)n(C)c2[nH]1 762718722 OUVIRWIKCCJQEX-UHFFFAOYSA-N 320.305 -0.512 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)CNC(=O)c1cccc(O)c1 785698121 MANSRQAZCZFTRU-JTQLQIEISA-N 304.302 -0.197 30 20 DBED C#CCC[C@H](O)CNC(=O)CN(C)C(=O)[C@H](C)n1cccn1 799077537 JVLCTOUESYYYOI-STQMWFEESA-N 306.366 -0.207 30 20 DBED C#CCCCS(=O)(=O)NCCCN1CCC[C@@H](C(N)=O)C1 804986112 LGDBCISQUNHJDQ-CYBMUJFWSA-N 315.439 -0.093 30 20 DBED CC#CCS(=O)(=O)NC(=O)c1sccc1-n1cnnn1 810770802 BGXNLVYBXAKHQD-UHFFFAOYSA-N 311.348 -0.193 30 20 DBED Cn1c(=C(C#N)C#N)sc(=Cc2cnn(CC(F)F)c2)c1=O 814250037 FIMNLQMOFBBNLU-UHFFFAOYSA-N 321.312 -0.065 30 20 DBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC(=O)O 818053504 PMTQGVHCLPKWIC-QMMMGPOBSA-N 312.303 -0.147 30 20 DBED CC(C)CN(CCC#N)C(=O)Cn1cnc(-c2nn[nH]n2)n1 820087411 RGBSQJLEUAVUCO-UHFFFAOYSA-N 303.330 -0.144 30 20 DBED C[C@]12CCC(=O)N1[C@H](C(=O)N[C@H]1CCCN(O)C1=O)CS2 820482423 JPWXNNAVOONUBQ-RVBZMBCESA-N 313.379 -0.063 30 20 DBED C#Cc1cncc(C(=O)N(C)CC(=O)N2CCN(C)CC2)c1 825292769 JKKMQLYRFSQKIS-UHFFFAOYSA-N 300.362 -0.091 30 20 DBED Cc1cc(C)n(N=Cc2cnc(N)nc2)c(=O)c1-c1nn[nH]n1 826265682 JDHIQTHIFDVUNL-UHFFFAOYSA-N 311.309 -0.100 30 20 DBED C#Cc1cccc(NC(=O)CNC(=O)[C@H]2CCS(=O)(=O)N2)c1 845242424 QXRCOMSDLQPHGS-GFCCVEGCSA-N 321.358 -0.586 30 20 DBED C#CC1(O)CN(S(=O)(=O)c2cnn(CC(F)(F)F)c2)C1 908227703 GXTZZGIIPYEJHI-UHFFFAOYSA-N 309.269 -0.186 30 20 DBED C#CC1(O)CN(CC(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)C1 934446626 MAGOTFJHAOXDPQ-UHFFFAOYSA-N 313.313 -0.469 30 20 DBED C#CCOc1ccc(C(=O)N[C@@H]2CCN(C(=O)C(N)=O)C2)cc1 940499474 KLNSXKWJLHERFV-GFCCVEGCSA-N 315.329 -0.485 30 20 DBED Cc1nonc1C(=O)NC[C@@H]1CN(C(=O)C#CC2CC2)CCO1 944654163 NWHAMDRUBSOQQF-GFCCVEGCSA-N 318.333 -0.251 30 20 DBED O=C1NCCC[C@@H]1NCC1(O)CCN(C(=O)C#CC2CC2)CC1 946922520 QEGMWSFGINCYKK-AWEZNQCLSA-N 319.405 -0.379 30 20 DBED C=C(C)CN1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)CC1 948633822 AISUEVXVERROSG-UHFFFAOYSA-N 306.366 -0.733 30 20 DBED C=C(Cl)CN1CCN(C(=O)Cn2ccc(O)nc2=O)CC1 949146582 WSQKNXRMRUBISX-UHFFFAOYSA-N 312.757 -0.154 30 20 DBED CCN1CCOC[C@@H]1C(=O)N(C)C1CN(C(=O)C#CC2CC2)C1 954684407 SZEWGTFCHPHKKW-OAHLLOKOSA-N 319.405 -0.210 30 20 DBED C=CCN1CC[C@@H](N2CCN(C(=O)[C@@H]3CCN(C)C3)CC2)C1=O 957648939 BBYHAKIGMXIGQT-HUUCEWRRSA-N 320.437 -0.131 30 20 DBED C=CCCN1C[C@@H](O)[C@H](CNC(=O)c2ccn(C)c(=O)c2)C1 958184058 UFWKNUTUPKNORU-ZIAGYGMSSA-N 305.378 -0.016 30 20 DBED C#CCN1C[C@H](CNC(=O)c2cnc3c(c2)ncn3C)[C@@H](O)C1 958316993 QNJPFTPDQGPEKI-JSGCOSHPSA-N 313.361 -0.376 30 20 DBED C#CCCN1C[C@@H](O)[C@H](CNC(=O)c2ccc(C(N)=O)[nH]2)C1 958410119 YJWOHMXXDBBYSU-ZWNOBZJWSA-N 304.350 -0.841 30 20 DBED Cc1ncc(Cl)c(C(=O)NC[C@H]2CN(CC#N)C[C@H]2O)n1 958454462 XAFYGKUDNRHYMU-GXSJLCMTSA-N 309.757 -0.016 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H]2CN(C(=O)c3cncn3C)C[C@@H]21 960875814 VEUUXNYEYHLTIB-WCFLWFBJSA-N 317.349 -0.368 30 20 DBED N#CCN1C[C@H]2[C@H](NC(=O)c3ccc(-n4cnnn4)cc3)[C@H]2C1 962479596 UOZBLGKTILXCPV-WDNDVIMCSA-N 309.333 -0.154 30 20 DBED N#Cc1ccc(C(=O)N2CCC[C@H]3[C@H]2CCN3C(=O)C(N)=O)[nH]1 962931834 MSFZMZXWCNNUKO-NWDGAFQWSA-N 315.333 -0.423 30 20 DBED C=C1CCC(C(=O)N[C@@H]2COC3(C2)CN(C(=O)C(N)=O)C3)CC1 965795368 IEGHRNTWWHCZTF-LBPRGKRZSA-N 321.377 -0.296 30 20 DBED C#CCN1CC[C@@H](C)[C@H](NC(=O)CN2CCCS2(=O)=O)C1 966525571 NVLMRDXUJKQQME-CHWSQXEVSA-N 313.423 -0.518 30 20 DBED C=CCCN1CC[C@@H](C)[C@@H](NC(=O)CN2CCNC(=O)C2)C1 967721937 MMLZSICRNGRQJF-KGLIPLIRSA-N 308.426 -0.179 30 20 DBED C[C@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)Cn1cncn1)C2 969817085 HWUCYLWCZCRTTH-WOPDTQHZSA-N 302.338 -0.360 30 20 DBED Cc1ncccc1CC(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1O 970626563 LIRGXULOPOXVLB-GDLCADMTSA-N 316.361 -0.220 30 20 DBED Cn1cc(C(=O)N[C@H]2C[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)nn1 973183524 UYEOTOZWILSFTM-MGCOHNPYSA-N 313.321 -0.294 30 20 DBED C=CCN1C[C@@H](NC(=O)C2CC3(C2)NC(=O)NC3=O)C(C)(C)C1 977307042 BYJUWGBBIZUIOM-NOEPWBJOSA-N 320.393 -0.013 30 20 DBED CC#CCN1C[C@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C(C)(C)C1 977602622 LZUVECMOWIPJGV-RYUDHWBXSA-N 313.423 -0.472 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]1CN(C)C(=O)c1c[nH]c(=O)cn1 978280214 NLMKVRFABHRKHD-VHSXEESVSA-N 303.322 -0.398 30 20 DBED C=CCN[C@@H]1CCN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)[C@H]1C 987186185 BCHAZMKYECVHBY-CMPLNLGQSA-N 316.365 -0.164 30 20 DBED C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)c3nc[nH]n3)C[C@@H]2O)C1 991773808 VXWMSVCVDZGBEX-QWRGUYRKSA-N 319.365 -0.147 30 20 DBED CN1C[C@H](C(=O)NC2CN(C(=O)c3ccc(C#N)[nH]3)C2)CC1=O 993796444 XLVCXPBDSFTDKQ-SECBINFHSA-N 315.333 -0.695 30 20 DBED C#CCN1CCC([C@@H](C)NC(=O)c2cn(CC(N)=O)nn2)CC1 997434914 QPFWUGRCCCAMQG-LLVKDONJSA-N 318.381 -0.773 30 20 DBED N#CCN1CC[C@H](n2cc(CNC(=O)[C@@H]3CCOC3)nn2)C1 999963462 QKQPFNXBNWEPJG-YPMHNXCESA-N 304.354 -0.299 30 20 DBED CN(C[C@H]1CCCN1C(=O)C#CC1CC1)C(=O)[C@H]1CNC(=O)N1 1002490424 YRUAXBWBQHWYIQ-CHWSQXEVSA-N 318.377 -0.469 30 20 DBED O=C(NCC1CN(C(=O)C#CC2CC2)C1)c1cncnc1O 1002719168 SBXAYZMDKBTIKI-UHFFFAOYSA-N 300.318 -0.216 30 20 DBED C#CCN1CCC(NC(=O)c2ccc(=O)n(CCOC)n2)CC1 1003271187 SPNNBXFQCXUIFW-UHFFFAOYSA-N 318.377 -0.283 30 20 DBED CC#CCN1CCC(NC(=O)c2cnc(O)n(C)c2=O)CC1 1003419304 AICIOQSMCDWVSA-UHFFFAOYSA-N 304.350 -0.297 30 20 DBED C[C@H](NC(=O)[C@@H]1CCNC(=O)C1)C1CN(C(=O)C#CC2CC2)C1 1005902497 WBKALEZDWDFCPM-WCQYABFASA-N 317.389 -0.111 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C(NC(=O)c3cnon3)[C@H]2C1 1013638604 FNXWYBVXAJPBTH-WDCWCFNPSA-N 318.333 -0.153 30 20 DBED N#Cc1ccc(C(=O)N[C@]23CCC[C@@H]2N(C(=O)C(N)=O)CC3)[nH]1 1014248006 GGELXSPRTXBTQY-NHYWBVRUSA-N 315.333 -0.375 30 20 DBED C#CCN1CCC(C(=O)N[C@H]2CCN([C@@H]3CCNC3=O)C2)CC1 1016336917 OKNWKXHSUNUUEB-LSDHHAIUSA-N 318.421 -0.589 30 20 DBED C=CCN1CCC2(CC1)C[C@@H]2NC(=O)Cn1c(O)nnc1O 1016948034 OFJXURMLBLIDSX-JTQLQIEISA-N 307.354 -0.154 30 20 DBED C[C@H](C#N)C(=O)N1CCCO[C@@H](CNC(=O)c2ccnnc2)C1 1019684966 OZXNDHAITQLADI-YPMHNXCESA-N 317.349 -0.016 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2C[C@H](NCc3nc(O)n[nH]3)C2)cn1 1020947994 OUCZJISMYHXQNK-HAQNSBGRSA-N 312.333 -0.063 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2CCCN2[C@H](C)C(=O)NC)nn1 1028187109 CHMJYRQTHILASY-NEPJUHHUSA-N 320.397 -0.207 30 20 DBED C=C(C)CN1CCC[C@@H]1CNC(=O)c1cn(CC(N)=O)nn1 1028334520 BZUIZXLVQVVCST-LLVKDONJSA-N 306.370 -0.466 30 20 DBED C=CCCn1cc(C(=O)NCC2CN([C@@H]3CCNC3=O)C2)nn1 1032041465 OZVVWMMJNXLXGA-CYBMUJFWSA-N 318.381 -0.596 30 20 DBED N#CCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(OCC(N)=O)cc1 1032508909 UZDOFDUDXOBXSN-STQMWFEESA-N 314.345 -0.027 30 20 DBED CC(=O)N1CCOC[C@@H]1C(=O)N[C@H]1CC[C@H](NCC#N)CC1 1034796953 KWJFWMBOYURING-MGPQQGTHSA-N 308.382 -0.226 30 20 DBED Cc1cnc2nc(C(=O)NC[C@@H]3CN(CC#N)CCO3)nn2c1 1035408697 SWOOJEPMFIPHDH-LLVKDONJSA-N 315.337 -0.613 30 20 DBED C#CCCN1CCO[C@H](CNC(=O)[C@H]2CCc3nn[nH]c3C2)C1 1035575222 YBRNOLLIOGTPQC-QWHCGFSZSA-N 317.393 -0.250 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)[C@@H]2CCCCN(C)C2=O)C1 1035577273 NNTWOURPSXISEY-KBPBESRZSA-N 307.394 -0.305 30 20 DBED C#CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)c1ccc(=O)n(CCOC)n1 1037503313 QZDOABSRZPAWHY-ZLDLUXBVSA-N 316.361 -0.675 30 20 DBED N#CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)c1cncc(-n2ccnn2)c1 1037518989 SNGRGBIFMGJQSP-XBFCOCLRSA-N 309.333 -0.012 30 20 DBED C#CCCCC(=O)NC[C@@]1(O)CCN(C(=O)CC(=O)NCC)C1 1039574678 WEYOLXMNNUVFDC-INIZCTEOSA-N 323.393 -0.604 30 20 DBED Cn1ncc(C(=O)N2CC[C@H]3CN(c4cncc(C#N)n4)C[C@H]32)n1 1040665726 WZJKTPMCUVAJLJ-GXFFZTMASA-N 324.348 -0.172 30 20 DBED Cc1ccn(CC(=O)N2CC[C@](O)(CNC(=O)[C@@H](C)C#N)C2)n1 1040766932 UHVUCJNQSWOFNC-NHYWBVRUSA-N 319.365 -0.569 30 20 DBED C#Cc1cncc(C(=O)NC[C@]2(O)CCN(C(=O)COC)C2)c1 1040861461 QKLMHMVGLDZCBG-MRXNPFEDSA-N 317.345 -0.598 30 20 DBED Cc1nc[nH]c1C(=O)N1CC(O)(CNC(=O)CSCC#N)C1 1041574560 HBRIYVZUUDKPNB-UHFFFAOYSA-N 323.378 -0.722 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCC(=O)N2C)C1 1041972581 CQGYXNVTBLAOBS-NSHDSACASA-N 309.366 -0.737 30 20 DBED C=CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)[C@H](C)COC)C1 1042035695 RULSVUYQGJKNLC-VXGBXAGGSA-N 314.382 -0.451 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)[C@H](C)CCOC)C1 1042052933 WURGKFZSJXFWPC-GFCCVEGCSA-N 314.382 -0.449 30 20 DBED CN(C(=O)c1c[nH]c(C#N)c1)C1CN(Cc2nnn(C)n2)C1 1042637564 MOGFIWLWSZAICO-UHFFFAOYSA-N 300.326 -0.634 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)C[C@@H]2CCOC2)C1 1043033293 WSYIUJPKIVHILQ-ZDUSSCGKSA-N 324.377 -0.858 30 20 DBED C=CCC(C)(C)C(=O)NCC1(O)CN(C(=O)c2cnon2)C1 1043061375 DLSHUFYQECLCLH-UHFFFAOYSA-N 308.338 -0.025 30 20 DBED C[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1Nc1ccc(C#N)nn1 1043086289 IECSBQQSUDDBCQ-MWLCHTKSSA-N 323.378 -0.348 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)CN(C)C(C)C)C1 1043428705 UABZERYQODPHKB-UHFFFAOYSA-N 309.410 -0.325 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)CCc2ccccn2)C1 1043694013 FHBYJALOXAKJJJ-LBPRGKRZSA-N 316.361 -0.137 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)C23CCN(CC2)C3)C1 1044023098 GDZPBJSREURECN-UHFFFAOYSA-N 319.405 -0.425 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]2CC[C@@H](C1)N2Cc1nc(=O)n(C)[nH]1 1045734905 IIPCALOMWOGJGS-UTUOFQBUSA-N 318.381 -0.167 30 20 DBED Cc1nc(O)[nH]c1C(=O)N1CCN([C@H]2CCN(CC#N)C2)CC1 1046036539 AYFAVRQJYHCGRK-LBPRGKRZSA-N 318.381 -0.221 30 20 DBED C=CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2cc(=O)n(C)cn2)C1 1047415310 SCROPBAIRWEZRG-STQMWFEESA-N 306.366 -0.527 30 20 DBED C#CCOCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2ccoc2)C1 1048227276 ZECRGBOHOBVHJJ-KBPBESRZSA-N 320.345 -0.037 30 20 DBED C=CCOCC(=O)N(C)[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 1048555392 WHZYNYHEKGDEGY-KBPBESRZSA-N 306.362 -0.368 30 20 DBED CC[C@H](C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)C#N)C1)N(C)C 1049407965 NBAASLKORIRFES-NDBYEHHHSA-N 310.398 -0.484 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@]2(C)CCNC2=O)C1 1049560166 QEIXMJGSMRCNPJ-MKBNYLNASA-N 323.393 -0.491 30 20 DBED CC#CCN1CCOC[C@H]1CNC(=O)c1cc2n(n1)CCO2 1050959229 WPRZRYPDWIXCMI-GFCCVEGCSA-N 304.350 -0.271 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)[C@H]1CN2CC3CC2(CO1)C3 1051037297 CXWDYMCFJNORMB-GYMHETDLSA-N 319.405 -0.700 30 20 DBED N#CCN1CCOC[C@H]1CNC(=O)[C@@H]1CCc2nc[nH]c2C1 1051199679 HMGFIXQJDFWAOB-VXGBXAGGSA-N 303.366 -0.145 30 20 DBED C#CCN1CCN([C@@H]2CCN(C(=O)Cc3nc[nH]n3)C2)CC1 1052106306 HIXXNTVHLFPIKT-CYBMUJFWSA-N 302.382 -0.801 30 20 DBED C=CCOCC(=O)N1C[C@H](C)[C@H](CNC(=O)Cn2cncn2)C1 1052219854 DSPLZNGOSQZQDE-QWHCGFSZSA-N 321.381 -0.309 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1C 1052670070 XCGUGKKVSUVSIE-RYUDHWBXSA-N 306.370 -0.150 30 20 DBED N#CCN1CC2(C1)CN(C(=O)[C@H]1CCn3cncc3C1)CCO2 1053314015 JSOHTUYUAAPSCF-ZDUSSCGKSA-N 315.377 -0.118 30 20 DBED C=C(C)CCN1CC2(C1)CN(C(=O)c1nnn(C)n1)CCO2 1053384306 NWEVFWOIAFKPCF-UHFFFAOYSA-N 306.370 -0.297 30 20 DBED C=CCN1CC2(C1)CN(C(=O)[C@@H]1CCN(C(C)=O)C1)CCO2 1053520486 QGRNMPTWDSZEQG-CQSZACIVSA-N 307.394 -0.046 30 20 DBED N#Cc1cc(C(=O)NC[C@@H]2CCC3(CN(CCO)C3)O2)c[nH]1 1053593246 FRJRFZSSNUHHQC-ZDUSSCGKSA-N 304.350 -0.158 30 20 DBED CCC(=O)N1CC[C@@H](C(=O)N[C@@H]2COC3(C2)CN(CC#N)C3)C1 1053976058 BVCQMOGXJIGPJG-OLZOCXBDSA-N 320.393 -0.272 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)[C@]3(C)CCN(C(C)=O)C3)CO2)C1 1053976479 GEWLBZOHRMVVBV-GDBMZVCRSA-N 319.405 -0.162 30 20 DBED CC(=O)N1CCC[C@H]1C(=O)N[C@H]1COC2(C1)CN(CC#N)C2 1053986953 YMNIAJVJOSJBRR-OLZOCXBDSA-N 306.366 -0.520 30 20 DBED Cc1cc(C#N)nc(N[C@H]2C[C@H]3C[C@@H](C2)N(C(=O)C(N)=O)C3)n1 1054839447 KCZGIDYIFBVKGX-NHCYSSNCSA-N 314.349 -0.067 30 20 DBED CCC(=O)N[C@H](C)C(=O)N1C[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2C1 1055369209 WUFHHMOJQYLAFN-LPWJVIDDSA-N 320.393 -0.022 30 20 DBED C=CCC(CC=C)C(=O)N1CCC[C@@](CO)(NC(=O)C(N)=O)C1 1056088248 RTDOKVFVQAANBX-MRXNPFEDSA-N 323.393 -0.290 30 20 DBED C#CCOCCC(=O)N1CCC[C@@](CO)(NC(=O)[C@H](C)C#N)C1 1056097554 RKCYIZBHPORUNG-CZUORRHYSA-N 321.377 -0.344 30 20 DBED Cc1cc(C#N)nc(N2C[C@H]3[C@H](NC(=O)c4cnon4)[C@H]3C2)n1 1056274883 CHFCRILKHBOFJO-IAZYJMLFSA-N 311.305 -0.096 30 20 DBED N#Cc1ccc(N2C[C@@H]3C(NC(=O)c4cncnc4O)[C@H]3C2)nn1 1056329786 CBFUJSNPKACIJA-QWRGUYRKSA-N 323.316 -0.292 30 20 DBED C#CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)c1ocnc1C 1057281971 QOQTXXIZIMEMNK-LBPRGKRZSA-N 323.349 -0.428 30 20 DBED C=C[C@@](C)(O)CC(=O)N(CCO)CCNC(=O)c1cn(C)cn1 1057449638 FCEVOPVTKWWBDF-OAHLLOKOSA-N 324.381 -0.702 30 20 DBED CCn1ncc(C(=O)N(CCO)CCNC(=O)[C@H](C)C#N)n1 1057502022 WPDPTQPFRHOCGX-SNVBAGLBSA-N 308.342 -0.992 30 20 DBED CCN(CC)CC(=O)N(CCO)CCNC(=O)C#CC1CC1 1057659652 SXYDGWAFISZEEA-UHFFFAOYSA-N 309.410 -0.321 30 20 DBED C=CC(C)(C)CC(=O)N(CCO)CCNC(=O)c1cnn(C)n1 1057694923 SPTRMINTASKCDF-UHFFFAOYSA-N 323.397 -0.032 30 20 DBED N#Cc1ccc(N[C@@H]2CCCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)nn1 1057760509 UNZMYMVSKIRQET-UTUOFQBUSA-N 314.349 -0.127 30 20 DBED Cn1cnc(C(=O)NC2CCN(c3ccc(C#N)nn3)CC2)n1 1057865805 ASZXNKFXJMWJBZ-UHFFFAOYSA-N 312.337 -0.124 30 20 DBED C=C[C@](C)(O)CC(=O)NCCN(CCO)C(=O)c1c[nH]nc1C 1058267649 GBHIGQHUHONSSD-HNNXBMFYSA-N 324.381 -0.404 30 20 DBED CN1CCOC[C@@H]1C(=O)N[C@H]1CCN(c2ccc(C#N)nn2)C1 1058318995 KIODIUGTMXVNOC-QWHCGFSZSA-N 316.365 -0.626 30 20 DBED C=C[C@@H](C)[C@@H](C)C(=O)N(CCO)CCNC(=O)CNC(C)=O 1058433818 YCVGQUCCTNEKKQ-VXGBXAGGSA-N 313.398 -0.482 30 20 DBED CN1C[C@@H](C(=O)N[C@H]2CCN(c3cncc(C#N)n3)C2)CC1=O 1058577558 AZMWZMQVFOSXKG-QWRGUYRKSA-N 314.349 -0.479 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)[C@@H]1CCCCN1C 1058663006 FDKVRAYFBZDEJV-STQMWFEESA-N 310.398 -0.433 30 20 DBED CC(C)(C(N)=O)C(=O)N1CC[C@H](Nc2ccc(C#N)nn2)C1 1058988647 UMUSBSVXGIYIFX-JTQLQIEISA-N 302.338 -0.127 30 20 DBED N#Cc1cncc(N2CC[C@@H]3[C@@H](CCCN3C(=O)C(N)=O)C2)n1 1059540847 ZOOUKWMSCRWNFF-CMPLNLGQSA-N 314.349 -0.349 30 20 DBED N#Cc1nccnc1N[C@H]1C[C@@H](NC(=O)C[C@H]2CCNC2=O)C1 1059739017 UKAPSSBRWLWZFM-MXWKQRLJSA-N 314.349 -0.066 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CC[C@H](CNC(=O)c2nnn(C)n2)CC1 1060814134 AVTKTJORPWWVEO-GMTAPVOTSA-N 319.369 -0.225 30 20 DBED C=CCOCC(=O)N1CCC2(CC1)CN(C(=O)CNC(C)=O)C2 1060886238 SVJITWOUKRNNLV-UHFFFAOYSA-N 323.393 -0.224 30 20 DBED C=CCOCC(=O)NC[C@@H]1COCCN1C(=O)CCN(C)C 1061426615 RAQLAJGAYWTQOP-CYBMUJFWSA-N 313.398 -0.516 30 20 DBED C#CCCCC(=O)N1CCOC[C@H]1CNC(=O)[C@@H]1COC(=O)N1 1061546022 JRBPHWDJMIUSAW-NEPJUHHUSA-N 323.349 -0.758 30 20 DBED Cc1nc[nH]c1CC(=O)NC[C@H]1COCCN1C(=O)[C@@H](C)C#N 1061744511 GZSAGGAESJSTKR-JQWIXIFHSA-N 319.365 -0.236 30 20 DBED Cc1ccn(CC(=O)N2CCOC[C@@H]2CNC(=O)[C@@H](C)C#N)n1 1061853839 VGRPGQPPZCYSDR-AAEUAGOBSA-N 319.365 -0.305 30 20 DBED C=CCCC(=O)N1CCOC[C@H]1CNC(=O)[C@H]1C[C@H]1C(N)=O 1061906550 YRVFKORAPLRJSD-UTUOFQBUSA-N 309.366 -0.582 30 20 DBED N#Cc1cc(C(=O)N2CCCC[C@@H]2CNC(=O)CC(N)=O)c[nH]1 1062139581 MBAKKOMTGYNWAX-GFCCVEGCSA-N 317.349 -0.127 30 20 DBED CC(C)C#CC(=O)N1CCCC[C@@H]1CNC(=O)Cn1ncnn1 1062198430 LJWMNJOXMUKNQJ-CYBMUJFWSA-N 318.381 -0.170 30 20 DBED Cc1cc(N2C[C@@H]3C[C@H]2CN3C(=O)Cn2ncnn2)c(C#N)cn1 1062531571 NCUHUXROXHAGND-STQMWFEESA-N 324.348 -0.262 30 20 DBED N#Cc1cncc(N2C[C@@H]3C[C@H]2CN3C(=O)c2c[nH]c(=O)cn2)n1 1062568318 AGHGNCKZUADQEM-QWRGUYRKSA-N 323.316 -0.465 30 20 DBED C#CCNC(=O)CC(=O)NC1(CNC(=O)C#CC2CC2)CCC1 1062974380 YZJJZRWWLHPKBR-UHFFFAOYSA-N 315.373 -0.306 30 20 DBED Cc1cc(=N[C@@H]2CCN(C(=O)C(N)=O)[C@@H](C)C2)c(C#N)c[nH]1 1064823004 KZVCLRQZOHOJGP-CMPLNLGQSA-N 301.350 -0.040 30 20 DBED C[C@@H](N=c1cc[nH]cc1C#N)[C@H]1CCN(C(=O)CC(N)=O)C1 1065685825 ZHHAANXGRZFQTJ-MNOVXSKESA-N 301.350 -0.101 30 20 DBED N#Cc1nccnc1N1C[C@@H](O)[C@H](CNC(=O)c2cnco2)C1 1067686161 AESVUZNKIFJRAI-MWLCHTKSSA-N 314.305 -0.437 30 20 DBED C=CCCC(=O)N[C@H]1COC2(C1)CN(C(=O)Cc1nc[nH]n1)C2 1068756765 HMKIVHBUWUMCBB-LLVKDONJSA-N 319.365 -0.201 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1COC2(C1)CN(C(=O)c1cnn[nH]1)C2 1069009192 XTRYCGNQHHNJRQ-BDAKNGLRSA-N 304.310 -0.936 30 20 DBED C=CCN1CCn2ncc(CNC(=O)[C@H]3C[C@H]3C(N)=O)c2C1 1069874119 MLHCQPXGRWQAHX-NEPJUHHUSA-N 303.366 -0.378 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H](C)n2cncn2)C1 1069912047 KWZSKQOJNCPQGZ-XQQFMLRXSA-N 316.369 -0.342 30 20 DBED N#CCN1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CNC(=O)N2)C1 1070423130 QXNZEQBDXVBOIL-MWLCHTKSSA-N 317.353 -0.980 30 20 DBED C#CCCCC(=O)N[C@@H]1CCCN(C(=O)Cn2ncnn2)C1 1070775474 GKCIXJQKOKZPTP-GFCCVEGCSA-N 304.354 -0.416 30 20 DBED CC#CCN1C[C@H]2C[C@@H]3CN(C(=O)c4cnn[nH]4)C[C@@]3(C1)O2 1070820538 RRWBMIVDVGFPNC-LALPHHSUSA-N 301.350 -0.257 30 20 DBED C=CCCC(=O)N[C@@H]1CCCN(C(=O)Cn2ncn(C)c2=O)C1 1070942476 DZHOQHWPVSXNMW-GFCCVEGCSA-N 321.381 -0.345 30 20 DBED C=CCN1CC[C@]2(C1)CN(C(=O)CS(C)(=O)=O)C[C@H](C)O2 1071144666 SCSGJIDHCIIUGA-JSGCOSHPSA-N 316.423 -0.091 30 20 DBED C=CCOCC(=O)N1C[C@H](C)[C@@H](NC(=O)CC(=O)NCC)C1 1071808693 KLLFKCYVMYOXJZ-RYUDHWBXSA-N 311.382 -0.322 30 20 DBED C=CCN1CCn2c(nnc2C2CCN(C(=O)C(N)=O)CC2)C1 1074109955 QQVMUTIBVGLBTF-UHFFFAOYSA-N 318.381 -0.529 30 20 DBED C#CCCN1CCO[C@@H]2CCN(C(=O)Cn3cnnc3O)C[C@H]21 1074212175 LDTZJTUSYIKFRG-CHWSQXEVSA-N 319.365 -0.691 30 20 DBED C=CCOCC(=O)NCC[C@H](C)NC(=O)c1ccc(=O)n(C)n1 1075920315 ZVOVAZZDNZQRIH-NSHDSACASA-N 322.365 -0.393 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)c1cnc(C)[nH]1 1075933125 SBRUIBKPMYGXEJ-JTQLQIEISA-N 319.365 -0.518 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)c1cncnc1 1076219254 ZSYGJWKLVBPMKM-NSHDSACASA-N 317.349 -0.759 30 20 DBED C#CCN1C[C@@H]2CCN(C(=O)C3CCN(C(N)=O)CC3)[C@@H]2C1 1076551258 VEJKDNVXBMIZJM-UONOGXRCSA-N 304.394 -0.057 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC(=O)N2C(C)C)C1 1077563581 PXWKTHKGNWXPLW-HZSPNIEDSA-N 307.394 -0.430 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)c2cc(C(N)=O)ccn2)C1 1078299759 IXXAHNMHYLJCQC-ZIAGYGMSSA-N 318.377 -0.078 30 20 DBED C=CCOCC(=O)N(CC)C1CN(C(=O)[C@@H](COC)OC)C1 1079492637 GLPZNYBEWKKEIN-CYBMUJFWSA-N 314.382 -0.090 30 20 DBED CCN(C(=O)[C@@H](C)NC(=O)COC)C1CN(C(=O)[C@H](C)C#N)C1 1079914073 WNRSAHSPVUGCFQ-GHMZBOCLSA-N 324.381 -0.644 30 20 DBED C=CCCOCC(=O)N(CC)C1CN(C(=O)[C@H]2CCNC2=O)C1 1079979673 KIYWXNSMVUJXCV-ZDUSSCGKSA-N 323.393 -0.226 30 20 DBED CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 1080416769 QOGBGHHPXLCUQG-ADEWGFFLSA-N 322.365 -0.762 30 20 DBED CCOCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CSCC#N)C1 1081287354 WQKMQOLYFQNJIX-WDEREUQCSA-N 315.395 -0.785 30 20 DBED C=CCOCC(=O)N1C[C@H](CNC(=O)CCCOC)[C@@H](O)C1 1081302665 MUWOXLNATINQBR-STQMWFEESA-N 314.382 -0.449 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CCn2ccnn2)C1 1081437512 YFLZKKKHKVSBTD-QWHCGFSZSA-N 321.381 -0.430 30 20 DBED C=C(C)C(C)(C)C(=O)NC[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1O 1081640909 SFBXGJYJKQPWEO-GHMZBOCLSA-N 311.382 -0.600 30 20 DBED C#CCCCCCC(=O)NC[C@H]1CN(C(=O)CC(N)=O)C[C@H]1O 1081645981 UYKBTHDUHCQYEA-QWHCGFSZSA-N 323.393 -0.619 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CCn2cncc2C1 1083123964 BKQZVPWRUJJYCS-VHDGCEQUSA-N 315.377 -0.119 30 20 DBED C=CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)Cn1ccc(O)nc1=O 1083134787 SOBNCSRNCKTVPX-NWDGAFQWSA-N 320.349 -0.954 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)C[C@H]2CCS(=O)(=O)C2)C1 1083616398 MITHHPDVYYIDFX-UPJWGTAASA-N 316.423 -0.451 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2sc(N(C)C)nc2C)C1 1083837883 VEBPMEXKILMLKZ-MNOVXSKESA-N 308.407 -0.074 30 20 DBED C=CCN1CC[C@@H]2CN(C(=O)c3cn(CC(N)=O)nn3)[C@@H]2C1 1084852383 WOVODLPFQRLBOG-ZYHUDNBSSA-N 304.354 -0.904 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](N[C@@H]2CCNC2=O)C1 1086109808 FVCFPACAVPKXNW-BARDWOONSA-N 318.421 -0.543 30 20 DBED N#CCN[C@H]1C[C@H](CNC(=O)[C@H]2COCCN2CC(F)F)C1 1086438767 CYJUSOQCZUVYHX-IJLUTSLNSA-N 316.352 -0.040 30 20 DBED N#CCN1CC[C@H](NC(=O)Cc2cnn3ccccc23)[C@H](O)C1 1090330428 WDRZSZZLWDYVON-DZGCQCFKSA-N 313.361 -0.048 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2cccc(C(N)=O)c2)[C@@H](O)C1 1090366084 XCNSLKXCPIGOPH-GJZGRUSLSA-N 315.373 -0.026 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2ccnc3[nH]nnc23)[C@@H](O)C1 1090419022 CFSQDOVPYYVLDU-NEPJUHHUSA-N 314.349 -0.459 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1O 1090445672 NRFWPSIPAWJGKQ-RAIGVLPGSA-N 317.349 -0.395 30 20 DBED COc1cccnc1CC(=O)N[C@H]1CCN(CC#N)C[C@H]1O 1090519978 MVBDKHDIYWCUTM-WCQYABFASA-N 304.350 -0.292 30 20 DBED C#CCN1CC[C@@H](NC(=O)Cc2cn(C)nc2Cl)[C@H](O)C1 1090568682 HTICADXKXUDPQO-VXGBXAGGSA-N 310.785 -0.199 30 20 DBED CC#CCN1CC[C@H](NC(=O)Cn2ccccc2=O)[C@@H](O)C1 1090799102 SHMRDTUARZOKDZ-KBPBESRZSA-N 303.362 -0.577 30 20 DBED N#CCN1CC(OC2CCN(C(=O)CCc3nc[nH]n3)CC2)C1 1093524543 ZDAPSHZVVVPFMW-UHFFFAOYSA-N 318.381 -0.047 30 20 DBED N#Cc1ccc(NCCNC(=O)Cn2c(O)nnc2O)cn1 1093779639 RFHHORZNSAJAFY-UHFFFAOYSA-N 303.282 -0.816 30 20 DBED N#Cc1nc(=NCCNC(=O)[C@@H]2CCn3ccnc3C2)cc[nH]1 1093959441 XWKYADMKIVEPRM-LLVKDONJSA-N 311.349 -0.243 30 20 DBED CC[C@@H]1C[C@H](C(=O)NCCN=c2cc[nH]c(C#N)n2)CC(=O)N1 1094005653 RNTITDJOOFIOTM-WDEREUQCSA-N 316.365 -0.397 30 20 DBED N#Cc1c[nH]ccc1=NCCCNC(=O)[C@@H]1CCCS1(=O)=O 1094445098 ABBATEVUHBRBFU-ZDUSSCGKSA-N 322.390 -0.129 30 20 DBED CCS(=O)(=O)CC(=O)NCCCN=c1cc[nH]cc1C#N 1094455935 ODMINWFEQNVXMQ-UHFFFAOYSA-N 310.379 -0.272 30 20 DBED N#Cc1cnc(NCCCNC(=O)[C@@H]2CC[C@H]2C(N)=O)cn1 1094702792 CXKRAHGEMPCTEO-GHMZBOCLSA-N 302.338 -0.222 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)c3ncoc3C)CC2=O)C1 1094712358 WBLGIGLWCZLQBL-NSHDSACASA-N 302.334 -0.369 30 20 DBED CC#CCN1CC(N2C[C@H](NC(=O)[C@@H]3CCCN3C)CC2=O)C1 1094713882 KJUWTYDAKFYKAU-HIFRSBDPSA-N 318.421 -0.495 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)c3n[nH]cc3F)CC2=O)C1 1094784198 CXWFAUOUNLCQAO-VIFPVBQESA-N 307.329 -0.250 30 20 DBED C[C@H](C(=O)NCCCNc1ccc(C#N)nn1)S(C)(=O)=O 1094876853 DZADOOSMBABXOQ-SECBINFHSA-N 311.367 -0.300 30 20 DBED C[C@H](CC(N)=O)C(=O)N[C@H]1CCN(c2cnc(C#N)cn2)C1 1096457153 FKCNXOOAQMHKEM-ZJUUUORDSA-N 302.338 -0.445 30 20 DBED CC(=O)N(C)CC(=O)N[C@H]1C[C@H](Nc2cnc(C#N)cn2)C1 1096992968 LRQHIITXRADBNK-XYPYZODXSA-N 302.338 -0.114 30 20 DBED CC(=O)N(C)CC(=O)N[C@H]1C[C@@H](Nc2cncc(C#N)n2)C1 1097151750 HQYBQMIOIOVPPE-PHIMTYICSA-N 302.338 -0.114 30 20 DBED N#CCNCc1cn([C@H]2CCN(C(=O)[C@@H]3COCCO3)C2)nn1 1098622531 LDCAZVTUOGDMAP-STQMWFEESA-N 320.353 -0.920 30 20 DBED C=CCCC(=O)N1CC[C@H](n2cc(CNCC(=O)NC)nn2)C1 1098638189 VAUNYLJRTYORHW-ZDUSSCGKSA-N 320.397 -0.147 30 20 DBED CC(C)C#CC(=O)N1CC[C@@H](n2cc(CNCC(N)=O)nn2)C1 1098669216 KNSGMVRVBZPRTD-CYBMUJFWSA-N 318.381 -0.714 30 20 DBED C=CCOCCCC(=O)N[C@@H]1CCN(CC(=O)NC)C[C@H]1O 1099763795 KRNLCJNGGWIAGH-CHWSQXEVSA-N 313.398 -0.733 30 20 DBED C=CCCCCCN1CC[C@@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 1099837901 FGKSBYJWLQPUDV-KGLIPLIRSA-N 322.413 -0.029 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)c2[nH]c(O)nc2C)[C@H](O)C1 1099884691 BGUCSGNEFMVTFX-NWDGAFQWSA-N 324.381 -0.209 30 20 DBED C=CCN1CC[C@H](NC(=O)CS(=O)(=O)C(C)C)[C@@H](O)C1 1100114735 SMBNGYAMUBSIBT-RYUDHWBXSA-N 304.412 -0.453 30 20 DBED C[C@@H]1OCCO[C@@H]1C(=O)NCCN(C)c1cncc(C#N)n1 1100390161 ZOYJDLHCVQLVBE-GWCFXTLKSA-N 305.338 -0.295 30 20 DBED CN(C)C1(C(=O)NCC2CC(NCC(=O)NCC#N)C2)CCC1 1100405606 DJSWCCODOLRONH-UHFFFAOYSA-N 321.425 -0.405 30 20 DBED CCN(CCNC(=O)C1CS(=O)(=O)C1)c1ccncc1C#N 1100624008 PBDIYITTWBLGSA-UHFFFAOYSA-N 322.390 -0.060 30 20 DBED CCCN(CCNC(=O)CNC(C)=O)c1cncc(C#N)n1 1101078453 HBESGPXWBJPTEI-UHFFFAOYSA-N 304.354 -0.183 30 20 DBED N#Cc1nccnc1N(CCNC(=O)[C@H]1CNC(=O)N1)C1CC1 1101432493 BYPQIXOAPQQJAF-LLVKDONJSA-N 315.337 -0.885 30 20 DBED CN(CCNc1nccnc1C#N)C(=O)C1CC(=O)NC(=O)C1 1101683580 HTGGNDMASGLGJM-UHFFFAOYSA-N 316.321 -0.729 30 20 DBED CN(C)CCOCC(=O)N(C)CCNc1cnc(C#N)cn1 1101693974 IJMGVUGQZSALEX-UHFFFAOYSA-N 306.370 -0.203 30 20 DBED Cc1cc(C#N)nc(NCCN(C)C(=O)c2c[nH]c(=O)cn2)n1 1101935330 MKLLQVHEIURHAJ-UHFFFAOYSA-N 313.321 -0.076 30 20 DBED CN(CCNc1cnc(C#N)cn1)C(=O)CCc1cnn[nH]1 1101960276 LBUSMRXGYMWZLD-UHFFFAOYSA-N 300.326 -0.031 30 20 DBED COCC#CCN1C[C@@H](C)[C@H](CNC(=O)CCNC(N)=O)C1 1102561613 JOKOLKISQGHVGK-CHWSQXEVSA-N 310.398 -0.621 30 20 DBED C#CCN1C[C@@H](C)[C@H](CCNC(=O)CN2CCC(=O)NC2=O)C1 1103619789 OLRJXEXPQWJJRN-CHWSQXEVSA-N 320.393 -0.364 30 20 DBED C[C@H](CNC(=O)[C@H]1CN(C)CCO1)CNc1cncc(C#N)n1 1103889706 FYNQZIXPBOXAMC-WCQYABFASA-N 318.381 -0.157 30 20 DBED CCOCC(=O)NC[C@H]1CN(c2cnc(C#N)cn2)CCO1 1104280075 APJLMPRQJSNEHU-LBPRGKRZSA-N 305.338 -0.294 30 20 DBED C=CCCNCc1cn(C2CN(C(=O)CNC(=O)CC)C2)nn1 1105191719 BSEPYRMLMYNGNA-UHFFFAOYSA-N 320.397 -0.147 30 20 DBED C#CCNCc1cn(C2CN(C(=O)Cc3ccn(C)n3)C2)nn1 1105237862 ACGCVXFGRWFLCG-UHFFFAOYSA-N 313.365 -0.640 30 20 DBED C=C(Cl)CNCc1cn(C2CN(C(=O)c3cnn[nH]3)C2)nn1 1105276787 SBGOVJTWBPZFKC-UHFFFAOYSA-N 322.760 -0.065 30 20 DBED CN(CCN(C)c1ccnc(C#N)n1)C(=O)Cn1nccn1 1105483395 MOMJFPGFPJQOBD-UHFFFAOYSA-N 300.326 -0.465 30 20 DBED N#Cc1cccnc1NC[C@@H](O)CNC(=O)[C@H]1CCC(=O)N1 1105749480 BNGDZFQVPBZRHQ-GHMZBOCLSA-N 303.322 -0.879 30 20 DBED Cc1ncc(C(=O)NC[C@@H](O)CNc2ccc(C#N)nn2)[nH]1 1105751196 XBJIFMCWMYRZHR-JTQLQIEISA-N 301.310 -0.417 30 20 DBED C[C@@H](C(=O)NC[C@@H](O)CNc1ccc(C#N)nc1)n1cncn1 1105829494 TYDQTLVQEHAXRU-GWCFXTLKSA-N 315.337 -0.305 30 20 DBED C#CCCCCC(=O)NC[C@H](O)CNc1ccc2nnnn2n1 1105830702 KNBPYJQMGXTHPE-LLVKDONJSA-N 317.353 -0.398 30 20 DBED Cc1cc(=NC[C@@H](O)CNC(=O)c2cnco2)c(C#N)c[nH]1 1106042356 STXSIJDMXUQGAA-LLVKDONJSA-N 301.306 -0.126 30 20 DBED N#Cc1nc(=NC[C@@H](O)CNC(=O)CCc2cnc[nH]2)cc[nH]1 1106150104 LGFDGUPYDGFYAH-LLVKDONJSA-N 315.337 -0.985 30 20 DBED CN1CCCC[C@@H]1C(=O)NC[C@@H](O)CNc1cncc(C#N)n1 1106165473 OBNJBOZOWAMMOF-QWHCGFSZSA-N 318.381 -0.278 30 20 DBED C=CCn1cc(C(=O)N2C[C@@H](C)[C@H](CNCC(=O)NC)C2)nn1 1106743390 JHWRQFMMWAFLIW-VXGBXAGGSA-N 320.397 -0.492 30 20 DBED Cc1cc(C#N)nc(NC/C=C\CNC(=O)Cn2cnnn2)n1 1107027200 KLWWYJLUUCMTOO-IHWYPQMZSA-N 313.325 -0.572 30 20 DBED CC(C)C[C@H](C(N)=O)C(=O)N[C@H](C)CN=c1cc[nH]c(C#N)n1 1107829949 TVRCXWDVHLMCHX-GHMZBOCLSA-N 318.381 -0.166 30 20 DBED C=CCOCCN1CCO[C@](C)(CNC(=O)Cn2ncnn2)C1 1107947299 HTKFJXALPTXOJK-CQSZACIVSA-N 324.385 -0.917 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)[C@]1(C)CCC(=O)N1 1108091482 KHBFIVOCFDVSFC-OTYXRUKQSA-N 302.338 -0.645 30 20 DBED C=C(C)CN1CCO[C@@](C)(CNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 1108248792 QVJOALZFKBBYNT-NHYWBVRUSA-N 324.381 -0.632 30 20 DBED C[C@@H](CNc1cnc(C#N)cn1)NC(=O)c1cnn(C)c1N 1108316561 YBNKRHAFSGVYKO-QMMMGPOBSA-N 300.326 -0.106 30 20 DBED Cc1cc(C#N)nc(NC[C@H](C)NC(=O)Cn2nccn2)n1 1108561799 QUECKGWRKRQQPB-JTQLQIEISA-N 300.326 -0.135 30 20 DBED N#CCN1CC(N2C[C@H](NC(=O)CCn3cccc3)CC2=O)C1 1108581306 NJOBVSFTTLMSQZ-CYBMUJFWSA-N 315.377 -0.197 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCN(C)C)C2 1108756236 DIIMQOHEUQVCCY-KKUMJFAQSA-N 320.437 -0.343 30 20 DBED C[C@@H](CNc1ccc(C#N)nn1)NC(=O)c1nnc(O)nc1O 1108782319 RWRTWWQFKKMZJX-LURJTMIESA-N 316.281 -0.825 30 20 DBED C[C@@H](CN(C)c1ncccc1C#N)NC(=O)CS(C)(=O)=O 1108837614 YPAXXUHVRFQJEF-JTQLQIEISA-N 310.379 -0.061 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cnsn1 1108976615 KZZMPEGENWDIHV-SCVCMEIPSA-N 319.390 -0.377 30 20 DBED C[C@H](CN(C)c1ccc(C#N)nc1)NC(=O)CCn1cnnn1 1109052672 ANUIPIHGXRXKFH-LLVKDONJSA-N 314.353 -0.029 30 20 DBED CCC(=O)NCC(=O)N[C@H]1[C@H]2C[C@H]1N(c1ccc(C#N)nn1)C2 1109702971 VHQSASCAWBIOFE-ISOBSLSZSA-N 314.349 -0.432 30 20 DBED CC(=O)NCC(=O)N1CCC[C@H]1CNc1cnc(C#N)cn1 1110527585 QSHFKOFNXJROHT-LBPRGKRZSA-N 302.338 -0.113 30 20 DBED COCCCC(=O)N(C)[C@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1111172193 PLQDQAPOTJHFLW-STQMWFEESA-N 319.365 -0.217 30 20 DBED CN(CCCN(C)c1ccnc(C#N)n1)C(=O)[C@@H]1CCNC1=O 1112151753 VKQGQWPWRYSKGQ-LLVKDONJSA-N 316.365 -0.231 30 20 DBED CC1(Nc2ccnc(C#N)n2)CCN(C(=O)CNC(N)=O)CC1 1112344353 FTDORWXQGFFONO-UHFFFAOYSA-N 317.353 -0.190 30 20 DBED C#CCC1(C(=O)N2CCN(C[C@@H](O)COC)CC2)CCOCC1 1112947920 POVZDMNNRBOJMW-OAHLLOKOSA-N 324.421 -0.042 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)c2cncnc2O)CC1 1112997804 RFMZGGYWTRBHBI-LLVKDONJSA-N 317.349 -0.922 30 20 DBED C=CCOCCN1CCN(C(=O)c2nnc(O)nc2O)CC1 1113071256 NEQCWIHFVWYFCR-UHFFFAOYSA-N 309.326 -0.757 30 20 DBED Cc1cc(=N[C@@H](C)[C@@H](C)NC(=O)Cn2ncnn2)c(C#N)c[nH]1 1113192821 BXXKVRPAWDWNLE-WDEREUQCSA-N 314.353 -0.325 30 20 DBED CNC(=O)NCC(=O)N[C@@H](C)[C@H](C)N=c1cc[nH]c(C#N)n1 1113350627 WQYSZBNGDAYMFF-IUCAKERBSA-N 305.342 -0.996 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)[C@@H](CC)OCC)[C@@H]2C1 1113976572 IQCNGQDFOZYFAK-JHJVBQTASA-N 307.394 -0.403 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)c3ocnc3C)[C@@H]2C1 1114101670 TUBVWTJEBHNOLZ-GHMZBOCLSA-N 302.334 -0.608 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@H]2CN(Cc3ccnn3C)C[C@H]12 1114158272 SWYATVSYJPNFJD-STQMWFEESA-N 315.377 -0.894 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H]1[C@@H]2CN(CC(=O)NC(C)C)C[C@@H]21 1114271637 YPUAQDDWZATZEE-CXTNEJHOSA-N 307.394 -0.404 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)CC3=CCOCC3)[C@@H]2C1 1114777123 YAHYEBLMDWINGY-ZIAGYGMSSA-N 317.389 -0.481 30 20 DBED Cc1cc(C(=O)NC2[C@H]3CN(CC(=O)NCC#N)C[C@H]23)c(C)[nH]1 1114889014 SAAZVHOCCHHXCF-STQMWFEESA-N 315.377 -0.069 30 20 DBED CCN(CC)CC(=O)NC1[C@H]2CN(CC(=O)NCC#N)C[C@H]12 1114992659 YOKWAYNOIKLTQH-RYUDHWBXSA-N 307.398 -0.986 30 20 DBED C[C@@H](CN(C)C(=O)Cn1cnnn1)Nc1cncc(C#N)n1 1115606015 SRTSORGQFAGVMZ-VIFPVBQESA-N 301.314 -0.706 30 20 DBED C[C@H](CN(C)C(=O)[C@@H]1CCC(=O)N1)Nc1cncc(C#N)n1 1115787946 NVPCERIKCWQPJY-KOLCDFICSA-N 302.338 -0.114 30 20 DBED C#CCOCCNC(=O)C(=O)N1CC[C@@H](CN2CCCC2)C1 1117397705 XTUMRMZTDQORJB-AWEZNQCLSA-N 307.394 -0.303 30 20 DBED CCOC[C@H]1CN(C(=O)C(=O)N2CCO[C@@H](C#N)C2)CCO1 1118898472 MNRHWERUSWMDNE-NWDGAFQWSA-N 311.338 -0.999 30 20 DBED CC(C)COCCC(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1 1121223102 SUYDOKRXSQMXHO-LBPRGKRZSA-N 321.381 -0.278 30 20 DBED Cc1cc(C#N)nc(N[C@H](CO)CNC(=O)CC2(O)CCC2)n1 1121528030 HFBJPPGRVDBECR-LBPRGKRZSA-N 319.365 -0.149 30 20 DBED C[C@H]1C[C@@H](Nc2nccnc2C#N)CN1C(=O)CNC(N)=O 1123144243 ABUPRSASTYATAD-DTWKUNHWSA-N 303.326 -0.582 30 20 DBED CN(C[C@@H](O)CNc1ccc(C#N)nc1)C(=O)[C@H]1CCNC1=O 1124693746 IQBPYJDFXBSQSX-STQMWFEESA-N 317.349 -0.679 30 20 DBED CN(C[C@H](O)CNc1nccnc1C#N)C(=O)Cc1cnc[nH]1 1124787214 WVXCJYQDZWTOIR-LLVKDONJSA-N 315.337 -0.455 30 20 DBED CN(C(=O)CCNC(N)=O)C1CC(N=c2cc[nH]cc2C#N)C1 1126945604 HBRIQZWIRMPOQN-UHFFFAOYSA-N 316.365 -0.165 30 20 DBED C=CCCCNCCNC(=O)CN(C)S(=O)(=O)N(C)C 1127100455 UJOMBDZQYDNNKR-UHFFFAOYSA-N 306.432 -0.603 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1cn(C2CCC2)nn1 1127515891 HARWAJAAGFTDDP-NSHDSACASA-N 318.381 -0.540 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H](C)c1ccnn1C 1127588541 DVRVDHNGAFWZTK-NWDGAFQWSA-N 307.398 -0.080 30 20 DBED C=CCCCNCc1nnc2n1CC[C@@H](NC(=O)C(N)=O)CC2 1128048832 PWCLQIYVVMNKHD-NSHDSACASA-N 320.397 -0.360 30 20 DBED CC(=O)N[C@@H](C)C(=O)NCc1cnn2c1CN(CC#N)CC2 1128178543 JPFKSJWPVHPJRK-JTQLQIEISA-N 304.354 -0.637 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H](C)CC(N)=O)C1 1129154804 YYHDKDPYEZVQDD-UTUOFQBUSA-N 306.370 -0.683 30 20 DBED COCCC(=O)N1C[C@@H](c2n[nH]c(C)n2)C2(CN(CC#N)C2)C1 1130455707 FUYRYSVIMSORSP-LBPRGKRZSA-N 318.381 -0.099 30 20 DBED CCNC(=O)CC(=O)N1C[C@H](C)O[C@@]2(CCN(CC#N)C2)C1 1131654244 YPMGMGMCLBLWMQ-SWLSCSKDSA-N 308.382 -0.272 30 20 DBED C=C(C)CN1C[C@H](NC(=O)CNS(=O)(=O)NC)CC[C@H]1C 1132201103 WSVZIFAHHMKVFY-VXGBXAGGSA-N 318.443 -0.415 30 20 DBED C#Cc1ccc(C(=O)NCCNCC(=O)NC(=O)NC)cc1 1132215947 SQKJWGQGPINWBD-UHFFFAOYSA-N 302.334 -0.557 30 20 DBED C[C@H](C[C@@H](C)NC(=O)CSCC#N)NCc1nnnn1C 1133735661 GBSDBOKWFVHFJP-NXEZZACHSA-N 311.415 -0.160 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)C12CCN(CC1)C2 1135939341 YOUISSGYZYJDOG-ZIAGYGMSSA-N 320.437 -0.296 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CCc2n[nH]cc2C1 1147680396 XBDUDYZTQPVTMN-NEPJUHHUSA-N 317.393 -0.642 30 20 DBED CCC[C@H](OC)C(=O)N1CC2(CCN(CC(=O)NCC#N)C2)C1 1148017600 UWYRBALOCUPWCX-ZDUSSCGKSA-N 322.409 -0.024 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CN(Cc2ncnn2C)CCCO1 1149409816 VOGJDKZWLFMICB-VXGBXAGGSA-N 306.370 -0.318 30 20 DBED N#CCN1CCCO[C@@H](CNC(=O)CCN2C(=O)CCC2=O)C1 1149953645 JETMYAFPEVXOOW-LBPRGKRZSA-N 322.365 -0.744 30 20 DBED N#CCNC(=O)CNCCNC(=O)[C@H](F)Cc1ccccc1 1152048156 UMQMOEYHBLRZBC-CYBMUJFWSA-N 306.341 -0.087 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)c1ccnc(O)c1 1156498362 LCWISSRHOWPOCN-LLVKDONJSA-N 304.350 -0.365 30 20 DBED C=CCC[C@@H](C)NCCCNC(=O)Cn1cnc(C(N)=O)n1 1158336932 DZXIEXJBDAWNAO-LLVKDONJSA-N 308.386 -0.172 30 20 DBED C#CCN1CC=C(CCNC(=O)C[C@H]2CC(=O)NC2=O)CC1 1162016537 HRMFDDUSKKHCAS-ZDUSSCGKSA-N 303.362 -0.189 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@H]1CCNC(=O)CC1 1163297511 OKPFAMBVERQCCD-GFCCVEGCSA-N 310.398 -0.699 30 20 DBED C#CCNC(=O)CNCC1(CCNC(=O)c2cn(C)cn2)CC1 1164074790 AKTDRRYADPETGJ-UHFFFAOYSA-N 317.393 -0.341 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)[C@@H](C)OCCOC 1167552145 HMSSQPHNYTYRQH-CHWSQXEVSA-N 313.398 -0.728 30 20 DBED C#CCNCCCCCCNC(=O)CN(C)S(C)(=O)=O 1178621105 FAYRFZVKILGSRI-UHFFFAOYSA-N 303.428 -0.223 30 20 DBED C#CCNC(=O)CNCCCCCCNC(=O)C(C)(C)C(N)=O 1178752321 LSLNIZROBQTDAO-UHFFFAOYSA-N 324.425 -0.487 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)CC(=O)N(C)C)[C@H]1C 1179699413 VWZMQPGWVBSVII-AVGNSLFASA-N 322.409 -0.818 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)Cc2cc(C)[nH]n2)C1 1181950984 WBEOXROXDOGPAI-GFCCVEGCSA-N 305.382 -0.247 30 20 DBED Cn1nncc1C(=O)N1C[C@@H](CNCC#N)C2(CCOCC2)C1 1186367728 CLBLUNDILUZAHE-GFCCVEGCSA-N 318.381 -0.203 30 20 DBED CN(CC(=O)NCC#N)[C@@H]1CCN(C(=O)c2cscn2)C1 1189310992 SHEOSLRRBHWYEU-SNVBAGLBSA-N 307.379 -0.071 30 20 DBED C=C(Cl)CN(C)[C@H]1CCN(C(=O)CNS(=O)(=O)NC)C1 1191560216 BIHDQDUZNGQCCJ-JTQLQIEISA-N 324.834 -0.675 30 20 DBED CCCC[C@H](C)C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1O 1192591923 YATLFETXIKUDOU-YNEHKIRRSA-N 310.398 -0.386 30 20 DBED C=C(Cl)C(C)(C)C(=O)N[C@@H]1CN([C@@H](C)C(N)=O)C[C@H]1O 1193313002 VYYYYKPLLVXTGB-FXBDTBDDSA-N 303.790 -0.200 30 20 DBED C#CCNC(=O)[C@H](C)N1CCCN(C(=O)Cc2nc[nH]n2)CC1 1197767137 DBJQLGPCGUKIGT-LBPRGKRZSA-N 318.381 -0.981 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)CNC(=O)c2ccco2)C1 1198352658 KBBJUMOMQNDYQJ-VXGBXAGGSA-N 305.334 -0.806 30 20 DBED C=CCC[C@H](C)N1C[C@@H](O)[C@H](NC(=O)CN2C(=O)CNC2=O)C1 1198445323 YGCMEJRBTYXAPI-QJPTWQEYSA-N 324.381 -0.946 30 20 DBED C=CCCO[C@H](C)C(=O)N1CCCO[C@@H](CNCC(N)=O)C1 1200047566 DMZYZMPMFMLSLT-OLZOCXBDSA-N 313.398 -0.340 30 20 DBED COCC#CCNCC1CCN(C(=O)[C@H]2CC(=O)N(C)C2)CC1 1205412879 BPIFXLVLUBLGCX-HNNXBMFYSA-N 321.421 -0.057 30 20 DBED CCN(CCC#N)C(=O)CN1C[C@@H](NC(=O)COC)[C@H](C)C1 1205705358 YFJQORXJSQCIEW-CHWSQXEVSA-N 310.398 -0.169 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)CC2(O)CCC2)[C@H](C)C1 1206945282 VTHYLYMDEDEUJN-CHWSQXEVSA-N 307.394 -0.523 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(CC(=O)NC2CC2)C[C@H]1C 1206963744 NDBVEXOBRAZPKP-MBNYWOFBSA-N 307.394 -0.260 30 20 DBED CC#CCN[C@@H]1CCCN(C(=O)CN2CC(=O)N(C)C2=O)C1 1210653844 ALFKYPGTDLOVRY-GFCCVEGCSA-N 306.366 -0.516 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)CN(C)C(C)=O)C[C@H]1C 1214181630 XYFNGLGWYHMHOO-DGCLKSJQSA-N 310.398 -0.797 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)Cn2cncc2C)C[C@H]1C 1215156048 VUEAVTMUISPDQW-TZMCWYRMSA-N 317.393 -0.623 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)CCNC(=O)c2cccs2)C1 1220958230 XUFMEQPTAHEHCC-MNOVXSKESA-N 322.390 -0.447 30 20 DBED C=C[C@@](C)(O)CC(=O)N1C[C@H]2CCN(CC(=O)NCC#N)C[C@H]21 1221516481 QYLIYVWORYZAJM-XJKCOSOUSA-N 320.393 -0.514 30 20 DBED C#CCCN1CCC(CNC(=O)CCCS(N)(=O)=O)CC1 1224272657 CXAGJTDYFRWTIF-UHFFFAOYSA-N 315.439 -0.093 30 20 DBED C[C@@H]1CO[C@H](C(=O)NC2CCN(CC(=O)NCC#N)CC2)C1 1228359664 BZSFAHKKNXFVOB-AAEUAGOBSA-N 308.382 -0.368 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)[C@@H](C)CC(N)=O)CC1 1228569664 VCBTYQMIAYSYCG-NSHDSACASA-N 310.398 -0.619 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NC1CCN(CC(N)=O)CC1 1229485391 FJKMEPZAEVQWNS-ZDUSSCGKSA-N 310.398 -0.477 30 20 DBED CN(C[C@@H]1CCN1CC(=O)NCC#N)C(=O)C[C@@H]1CCCO1 1230865652 GMRRMSYAQRAKOR-STQMWFEESA-N 308.382 -0.272 30 20 DBED C=CCNC(=O)CN1CC[C@H]1CN(C)C(=O)c1cc(=O)n(C)o1 1233866900 WIZYJKSCTQDZHD-NSHDSACASA-N 322.365 -0.573 30 20 DBED COC[C@H](O)CN1CC[C@](O)(CNC(=O)C#CC(C)(C)C)C1 1278777211 VQZBHFNQHBLEAL-CJNGLKHVSA-N 312.410 -0.404 30 20 DBED C[C@](C#N)(NC(=O)COC(=O)C1(S(N)(=O)=O)CC1)C1CC1 1326428891 ZMWJQQARYMMRNL-LLVKDONJSA-N 315.351 -0.841 30 20 DBED COCCN(CCC#N)C(=O)C(=O)Nc1ccnc(COC)n1 1327216522 JEXQPJDMQGCONY-UHFFFAOYSA-N 321.337 -0.050 30 20 DBED C[C@@H]1CS(=O)(=O)CCN1C(=O)C(=O)Nc1cccc(C#N)n1 1329297690 DTUKOQPPLQJZQQ-SECBINFHSA-N 322.346 -0.463 30 20 DBED C#CCN1CCC[C@H](NC(=O)N2CC[C@H](S(N)(=O)=O)C2)C1 1332031881 GJOJSZUGHZILPX-RYUDHWBXSA-N 314.411 -0.844 30 20 DBED C[C@H](CNC(=O)C(=O)N1CCC[C@@H](C#N)C1)CN1CCOCC1 1332670163 RFVCDHPMLCWWBK-KGLIPLIRSA-N 322.409 -0.167 30 20 DBED C=CCC1(O)CCN(C(=O)C(=O)N(C)Cc2cn(C)nn2)CC1 1335641420 ILRVFPIOELTUAH-UHFFFAOYSA-N 321.381 -0.297 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N(C)C[C@@H]1CCN(C(C)=O)C1 1343081464 UKBRLRFMUJVOKE-STQMWFEESA-N 311.382 -0.370 30 20 DBED C=C(C)[C@H]1OCC[C@H]1C(=O)N(C)Cc1nnc2n1CCNC2=O 1352818550 DBNDVQWFILQHCG-ZYHUDNBSSA-N 319.365 -0.039 30 20 DBED COC(=O)[C@H](C)CNC(=O)CCn1cc(C#N)c(O)nc1=O 1361982348 OWNUAJSSJULSGI-MRVPVSSYSA-N 308.294 -0.864 30 20 DBED N#Cc1ncn(CC(=O)N2CC(=O)N(CCC(F)(F)F)C2)n1 1362976533 DPHLFEKHLCAQRY-UHFFFAOYSA-N 316.243 -0.270 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1C[C@@H](NC[C@@H](O)Cn2cccn2)C1 1365809623 NPDWPMGRUSSFPB-IGQOVBAYSA-N 305.382 -0.112 30 20 DBED C[C@@H](NC(=O)NCCn1cnc(C#N)n1)[C@H](O)C(F)(F)F 1369787521 XEIQOEQTGZWUAR-SVRRBLITSA-N 306.248 -0.239 30 20 DBED C=C(Cl)CN[C@H]1CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)C1 1370394501 ZSOIUJKSUQLEHP-QWRGUYRKSA-N 316.789 -0.691 30 20 DBED COCC(=O)N1C[C@@H](NC(=O)[C@H](C)C#N)[C@H](c2cnn(C)c2)C1 1371794590 MWILZBYPUMXZPT-KGYLQXTDSA-N 319.365 -0.363 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)[C@@H]2CCCC(=O)N2C)CC1 1379084432 YKCDWROTRUPDKW-QWRGUYRKSA-N 306.366 -0.078 30 20 DBED CC[C@@H](CNC(=O)c1ccc(C(N)=O)cn1)NC(=O)[C@H](C)C#N 1388111414 JIWACCSNQVINQN-KOLCDFICSA-N 317.349 -0.035 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1cc2n(n1)CCCC2 1392135136 UZBWJGLWUBZEBZ-PWSUYJOCSA-N 319.365 -0.414 30 20 DBED COc1ccc(C(=O)N(C)C[C@@H](O)CNC(=O)[C@@H](C)C#N)nn1 1405659745 WZTPBKSWDXVQGA-UWVGGRQHSA-N 321.337 -0.806 30 20 DBED CCN(CCNC(=O)[C@H]1COC(=O)N1)C(=O)c1c[nH]c(C#N)c1 1408737765 NCOJKZRIPNYCAY-LLVKDONJSA-N 319.321 -0.427 30 20 DBED CC(C)n1ccc(CC(=O)NC[C@H](O)CNC(=O)[C@H](C)C#N)n1 1410150988 MNXUTEMSJMMYAS-YPMHNXCESA-N 321.381 -0.241 30 20 DBED Cc1csc(CNC(=O)Cn2cc(C#N)c(O)nc2=O)n1 1411622159 NTHCCPNBDVNVNS-UHFFFAOYSA-N 305.319 -0.098 30 20 DBED CCN(CCNC(=O)[C@H](C)C#N)C(=O)CCn1cnccc1=O 1415720132 MBMAWLQHNWFRQR-GFCCVEGCSA-N 319.365 -0.242 30 20 DBED CC[C@H]1CN(C)CCN1C(=O)Cn1cc(C#N)c(O)nc1=O 1417878283 KEUXLVIKQPMUAG-NSHDSACASA-N 305.338 -0.627 30 20 DBED C=C(Cl)CN1CC(O)(CNC(=O)[C@H]2CCCC(=O)N2C)C1 1421494321 KFJGIDWYQUISIH-LLVKDONJSA-N 315.801 -0.087 30 20 DBED CN(CCN(C)C(=O)[C@@H]1COCCO1)C(=O)c1c[nH]c(C#N)c1 1433149307 JLWUFPPUSXFXSP-ZDUSSCGKSA-N 320.349 -0.168 30 20 DBED CCN1CCO[C@H](C(=O)N(C)CCN(C)C(=O)[C@H](C)C#N)C1 1433182389 TXNIRGIWNJMJGM-OLZOCXBDSA-N 310.398 -0.216 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)C2=COCCO2)C1 1454065199 MGDRFPRPBAOEQV-QMTHXVAHSA-N 309.322 -0.886 30 20 DBED C#CCNCC(=O)N1CCC[C@H](CNS(=O)(=O)C2CC2)C1 1574729368 JCGRTERYONBETJ-GFCCVEGCSA-N 313.423 -0.470 30 20 DBED CN(Cc1nnc2n1CCC2)c1cnc(C#N)c(-c2nn[nH]n2)n1 1579265716 ODXOXTLVUAUJLX-UHFFFAOYSA-N 323.324 -0.298 30 20 DBED C#CCC1(NS(=O)(=O)N2CCC[C@H]2C(=O)O)CCOCC1 1588391715 MHABDPZRBPOKDJ-NSHDSACASA-N 316.379 -0.058 30 20 DBED CC(=O)c1cc(Cn2c(=O)c(C#N)cn(CC(=O)O)c2=O)on1 1588528341 ZPEARXCGKOHHDF-UHFFFAOYSA-N 318.245 -0.795 30 20 DBED CNC(=O)C1(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[nH]2)CCC1 1591200668 PJGIBYVJMQBZKR-UHFFFAOYSA-N 315.297 -0.684 30 20 DBED CN1CCOC[C@H]1CNc1cnc(C#N)c(-c2nn[nH]n2)n1 1604867459 JZFJXOQTHZNSGN-MRVPVSSYSA-N 301.314 -0.729 30 20 DBED N#Cc1cccc(-c2nn[nH]n2)c1N1CCN2C(=O)NC[C@H]2C1 1609499768 IXXRTSFKJYVKNX-JTQLQIEISA-N 310.321 -0.048 30 20 DBED CS(=O)(=O)N1CCC(CC(=O)N[C@H]2CNC[C@H]2C#N)CC1 1647265303 ZDFVFFKFDOIQTI-NEPJUHHUSA-N 314.411 -0.724 30 20 DBED C=C[C@](C)(CC)C(=O)NCC1(O)CN(C[C@H](O)COC)C1 1733504949 CACDPJQQKCOAIR-GXTWGEPZSA-N 300.399 -0.241 30 20 DBED C[C@H]1CN(C(=O)CN(C)CCCNC(=O)[C@@H](C)C#N)CCO1 1751951905 ARLJBLOPCJTFBG-STQMWFEESA-N 310.398 -0.169 30 20 DBED C=CCN1CC[C@H](N(C)CCNC(=O)c2cnn(C)n2)C1=O 1753067033 GGZZFPDWPGZDAU-LBPRGKRZSA-N 306.370 -0.736 30 20 DBED Cc1ccnc(C(=O)NCCN(CC(=O)NCC#N)C2CC2)n1 1753152906 IVXSABMUIUZRCN-UHFFFAOYSA-N 316.365 -0.381 30 20 DBED C#CCNC(=O)CN1CC(CNC(=O)c2cn3c(n2)CCC3)C1 1753403182 PCVGEIKVTQZHLT-UHFFFAOYSA-N 315.377 -0.760 30 20 DBED COCC#CCN1C[C@@H]2C[C@H]1CN2C(=O)CN1CCCCC1=O 1753422379 UGFYJFXHNWTVOH-GJZGRUSLSA-N 319.405 -0.066 30 20 DBED Cc1nc(C(=O)N(C)[C@H]2CCN(CC(=O)NCC#N)C2)co1 1753435387 RDQUDDAFBNFENJ-NSHDSACASA-N 305.338 -0.231 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCC[C@@H]1CNCc1nnnn1C 1753885469 UOEXPBQUUZFYHY-CHWSQXEVSA-N 320.397 -0.376 30 20 DBED C#CCCNC[C@H](O)CNC(=O)c1cc2c(O)ncnc2cn1 1753935645 UQVXUCLKJHMZOQ-JTQLQIEISA-N 315.333 -0.566 30 20 DBED C=C(Br)CNC/C=C/CNC(=O)[C@@H]1CNC(=O)N1 1754164484 MDPYCTJZTYZLHH-HPOULIHZSA-N 317.187 -0.162 30 20 DBED CC#CCN[C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C[C@H]1CC 1754470953 SUZIVOLYPPXVBH-HUUCEWRRSA-N 320.437 -0.342 30 20 DBED C=C(C)CCN1CC[C@](O)(CNC(=O)c2cc(=O)n(C)cn2)C1 1754754045 LFGJOTCAOCKVFG-INIZCTEOSA-N 320.393 -0.087 30 20 DBED N#CCNC(=O)CN1CCOC[C@@H]1CNC(=O)c1cc[nH]c1 1754967952 UBRWUXHDMGJARB-LBPRGKRZSA-N 305.338 -0.915 30 20 DBED C=CCCNC[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)CCO1 1755000500 MZALNZUUXDWTDW-GFCCVEGCSA-N 302.396 -0.576 30 20 DBED C#CCCNCC1(NC(=O)Cc2n[nH]c(C)n2)CCOCC1 1755096376 SRHFKHGKAUEAAJ-UHFFFAOYSA-N 305.382 -0.066 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)C2=COCCO2)C[C@@H]1C 1755105632 JFXNNKCFHIBJMY-NWDGAFQWSA-N 309.366 -0.387 30 20 DBED C=CCNC(=O)[C@@H](C)NCC1CC(NC(=O)c2cnnn2C)C1 1755209414 GZOPLARLFZSWPB-VOMCLLRMSA-N 320.397 -0.396 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@@H](C)CNC(=O)C(C)(C)C(N)=O 1755302440 BMMZSNBCTRHRRN-WDEREUQCSA-N 310.398 -0.928 30 20 DBED N#CCNC(=O)CN1CC(CCO)(NC(=O)[C@@]23CCC[C@@H]2C3)C1 1755333935 OPYJVZUAQUWICI-MLGOLLRUSA-N 320.393 -0.631 30 20 DBED C#CCNC(=O)CN[C@@H]1C[C@H](C)N(C(=O)c2cn(C)nc2C)C1 1755675674 YPPPSSQXHHFRJT-WCQYABFASA-N 317.393 -0.329 30 20 DBED C=CCNC(=O)CN[C@H]1C[C@@H](C)N(C(=O)c2nonc2C)C1 1755694084 NNCUTOHQXXAVSI-KOLCDFICSA-N 307.354 -0.127 30 20 DBED CC#CCNCCOCCN(C)C(=O)CN1CCCNC1=O 1755873936 BZJBAJSAWLJOST-UHFFFAOYSA-N 310.398 -0.510 30 20 DBED C#CCO[C@@H](C)C(=O)NC1(CNC(=O)C(N)=O)CCCCC1 1756104174 ZFVZQKXLHHEDBY-NSHDSACASA-N 309.366 -0.555 30 20 DBED C=C1CC(C)(C(=O)NC[C@@H](CO)NC(=O)CCn2cncn2)C1 1756549459 ZMJKFIULMDKAQR-LBPRGKRZSA-N 321.381 -0.382 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1C[C@@H](C)N(C(=O)CCOC)C1 1756574019 FYGJSTNOJDIEIJ-VXGBXAGGSA-N 309.366 -0.732 30 20 DBED N#CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cn[nH]c3)C[C@@H]21 1786366128 HRSNWXZLNQPLPA-DRZSPHRISA-N 317.349 -0.083 30 20 DBED C[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CC#N)C2)n1cnnn1 1803086960 NEHVPAPOSPNIAP-WISYIIOYSA-N 317.353 -0.214 30 20 DBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)C(F)F)C2)C1 1839806751 JVIRRYNSENHECL-ZDUSSCGKSA-N 302.277 -0.659 30 20 DBED Cc1ocnc1C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1844555826 MNTXCQMYWQYZDO-UHFFFAOYSA-N 317.301 -0.112 30 20 DBED C#CCCCC(=O)N1CCCC12CN(C(=O)C1=NNC(=O)C1)C2 1846373927 ZHNKQYOPPWAPPQ-UHFFFAOYSA-N 316.361 -0.131 30 20 DBED CCO/C=C/C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1846502372 CEKJRSLDAQYIBN-RMKNXTFCSA-N 306.318 -0.172 30 20 DBED CCN1CCC[C@@H]1CN/C(N)=N/CC1CN(S(C)(=O)=O)C1 186886110 QUKYRHWFXQCAML-GFCCVEGCSA-N 317.459 -0.734 30 20 DBED COC(=O)[C@@H]1CS(=O)(=O)CCN1Cc1cc(C#N)n(C)c1 191514231 IFSCOACKVIAELO-LBPRGKRZSA-N 311.363 -0.331 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)N2CCSCC2)CC1 285283430 SJGPTTZJKUXWNS-UHFFFAOYSA-N 324.450 -0.088 30 20 DBED C=C[C@@H](CO)NC(=O)CCn1[nH]c(=O)c2ccccc2c1=O 292702268 NTOGKOQOAJTYOJ-JTQLQIEISA-N 303.318 -0.257 30 20 DBED C[C@@H](N/C(O)=N/CCC(=O)N1CCN(C)CC1)c1nc[nH]n1 329287537 PEHALKYDTUGLCG-SNVBAGLBSA-N 309.374 -0.467 30 20 DBED CN(C)C[C@H]1CN(/C(O)=N/CCN2CCN=C(O)C2)CCO1 329699010 FYHDVADVYLBKRI-LBPRGKRZSA-N 313.402 -0.565 30 20 DBED OCC1(/N=C(/O)Nc2ccn(CCN3CCOCC3)n2)CCC1 330241591 FRQHHRTYRHFZBM-UHFFFAOYSA-N 323.397 0.456 30 20 DBED C[C@H]1COCCN1CCNS(=O)(=O)c1cccnc1C#N 331190708 VFRLQBZXUCKYKJ-NSHDSACASA-N 310.379 -0.048 30 20 DBED Cn1c(N2CCC[C@H]([C@@H]3CCNC3)C2)c(C#N)c(=O)n(C)c1=O 333840897 LDBZYPIBBQLXCO-NEPJUHHUSA-N 317.393 -0.218 30 20 DBED CC[C@H](C)[C@](C)(O)CNS(=O)(=O)N1CCO[C@@H](C#N)C1 337089179 IGBDNUQBIDTILG-SDDRHHMPSA-N 305.400 -0.158 30 20 DBED CC(C)OC[C@H](CO)N(C)S(=O)(=O)N1CCO[C@@H](C#N)C1 337164584 XVWCOEVSPQFAFU-RYUDHWBXSA-N 321.399 -0.827 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N1CCC[C@@H](OCCO)C1 337777355 QVBLNQVWKONGIL-VXGBXAGGSA-N 305.400 -0.062 30 20 DBED C[C@@H](CO)NC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 345094648 FIWBKBHUBWSIKG-JTQLQIEISA-N 311.363 -0.324 30 20 DBED CC(=O)N(C)CC(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 350245787 FVKITTZKGJITQD-UHFFFAOYSA-N 318.381 -0.273 30 20 DBED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2C[C@H](O)C[C@H]2C)n1 351049095 AXTDXXUPDJIQKI-MWLCHTKSSA-N 305.338 0.256 30 20 DBED N#Cc1ccc(NC(=O)C(=O)N2C[C@H](O)C[C@H]2CO)cc1F 354471551 SOHOIQIMYMVJJO-WDEREUQCSA-N 307.281 -0.410 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(C)c2cnn(C)c2)C1=O 357477500 FECSWAWWSMRIQA-UHFFFAOYSA-N 305.294 -0.640 30 20 DBED N#CCNC(=O)CNC(=O)[C@@H]1CSCN1C(=O)C1CCC1 376173137 ITIJHXLFOIDVEY-JTQLQIEISA-N 310.379 -0.556 30 20 DBED CC1(C)CN(S(=O)(=O)N2CCN(CC#N)CC2)CCO1 408124430 VEDSRRBEEUQBFO-UHFFFAOYSA-N 302.400 -0.517 30 20 DBED CC(C)(C#N)CC(=O)N1CCN(C(=O)CN2CCOCC2)CC1 408274591 LZLZMAMFJAFTEC-UHFFFAOYSA-N 322.409 -0.071 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(CCC2(O)CCC2)c1=O 412985756 GBGFYOUMZRNSSL-UHFFFAOYSA-N 307.350 -0.151 30 20 DBED N#CCCC[C@H](N)C(=O)NCCS(=O)(=O)NCC1CCC1 424111317 AJOXUQYNKJGQNR-LBPRGKRZSA-N 316.427 -0.157 30 20 DBED N#CCC1(O)CN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C1 439655782 ZUKLXVZORBLIBL-UHFFFAOYSA-N 312.307 -0.293 30 20 DBED COC[C@@H](C)OC[C@@H](O)Cn1cc(C(=O)OC)cc(C#N)c1=O 446992411 CPQJEHPUJVGZNJ-MFKMUULPSA-N 324.333 -0.081 30 20 DBED N#Cc1ccc(S(=O)(=O)NC[C@H]2CN3CCN2CC3)cc1F 489693991 GOHYMNDULOKANI-LBPRGKRZSA-N 324.381 -0.025 30 20 DBED C#CCNC(=O)CCN1CCCC[C@H]1CNS(C)(=O)=O 491618808 BHIOSFNGBLSSEC-LBPRGKRZSA-N 301.412 -0.470 30 20 DBED C#C[C@@H](C)N(C)CC(=O)c1c(N)n(CC(C)C)c(=O)n(C)c1=O 491723989 AKUIGWOUNXTPOK-LLVKDONJSA-N 320.393 -0.079 30 20 DBED CCN(CCC#N)S(=O)(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 574994234 UCNURFAOAGNYJA-SNVBAGLBSA-N 324.428 -0.910 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 577498175 MHVNBTHEFMTEBY-VHSXEESVSA-N 324.428 -0.911 30 20 DBED COc1cc(C#N)ccc1OCC(=O)NC[C@@H]1CNCCN1C 579607015 GLKBWINNUFFGRM-ZDUSSCGKSA-N 318.377 -0.035 30 20 DBED CCN(CCC#N)S(=O)(=O)N[C@H](CO)[C@H]1CCCOC1 594784255 QWTFQWQFJZSOCC-NWDGAFQWSA-N 305.400 -0.156 30 20 DBED N#Cc1ccc(CN2CC[C@H](NC(=O)[C@H]3CC(=O)N3)C2=O)cc1 597563176 RBVRUMPUVFBHDY-QWHCGFSZSA-N 312.329 -0.336 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N[C@@H]1CCS(=O)(=O)[C@@H]1C 599458738 VPKNJJIZDJWPRH-OPRDCNLKSA-N 309.413 -0.370 30 20 DBED CN1CCN(S(=O)(=O)Cc2cccc(C#N)c2)[C@@H](CO)C1 601469093 JZNZNVASPNPBBK-CQSZACIVSA-N 309.391 -0.004 30 20 DBED CS(=O)(=O)N1CCN(CC(=O)N2CC[C@](F)(C#N)C2)CC1 615826783 ZGGPPVOWTNTRFV-LBPRGKRZSA-N 318.374 -0.972 30 20 DBED C#CCNS(=O)(=O)N1CCN(CCCN(CC)CC)CC1 755067763 RYEPJIIMLPBWMD-UHFFFAOYSA-N 316.471 -0.197 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NOC2CCOCC2)C1=O 772709214 ZLVSQHADIJHHCA-UHFFFAOYSA-N 311.294 -0.810 30 20 DBED C#CCNC(=O)CNc1ccc(C(=O)NCC(=O)OC)cc1 780791781 PWJJTRPQLZUPQS-UHFFFAOYSA-N 303.318 -0.249 30 20 DBED C#CCOCCNC(=O)[C@@H](C)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 784594833 IZEDKZAIKGEWAS-VEGXAWMVSA-N 320.345 -0.697 30 20 DBED CNS(=O)(=O)[C@@H]1CCCN(C(=O)[C@](C)(C#N)CC(=O)O)C1 820640478 AULBUZHKEHWNAT-SKDRFNHKSA-N 317.367 -0.469 30 20 DBED N#Cc1nc(NC(=O)c2cnc3[nH]cnc3c2)[nH]c1-c1nn[nH]n1 826382687 QGJSJGXVBAOJEH-UHFFFAOYSA-N 321.264 -0.015 30 20 DBED C=CCn1cc(C(=O)OCC(=O)N2CCCC[C@H]2C(N)=O)nn1 830135694 JVBMDNKBCNJEQT-NSHDSACASA-N 321.337 -0.513 30 20 DBED C=C(CN(C)C)C(=O)N1CCS(=O)(=NS(C)(=O)=O)CC1 854592324 JAAAYIUMJQIBAR-UHFFFAOYSA-N 323.440 -0.626 30 20 DBED CS(=O)(=O)NC1CN(C(=O)Cc2ccc(OCC#N)cc2)C1 862841152 HJIYHYGSPHCRKT-UHFFFAOYSA-N 323.374 -0.109 30 20 DBED C#CC1(O)CN(S(=O)(=O)c2scnc2C(=O)OC)C1 908228596 PMXMOHGHIOLRDD-UHFFFAOYSA-N 302.333 -0.702 30 20 DBED C#Cc1cncc(C(=O)N2CCCC[C@@H](NC(=O)C(N)=O)C2)c1 943490119 ZBXCEPAUFFKVPU-CYBMUJFWSA-N 314.345 -0.341 30 20 DBED C[C@@H](C#N)C(=O)N1CCCC[C@H](NC(=O)Cn2cncn2)C1 943551521 UXOLMSMMZWDZLF-RYUDHWBXSA-N 304.354 -0.065 30 20 DBED C=CCCn1cc(C(=O)N[C@H]2CCN(CC(N)=O)[C@@H](C)C2)nn1 947795813 IDIHRZZGVODSJQ-RYUDHWBXSA-N 320.397 -0.078 30 20 DBED C[C@@H](C#N)C(=O)N1CC(N(C)C(=O)c2ccc(N(C)C)nn2)C1 954848010 DNUBPBDNAMYUKU-JTQLQIEISA-N 316.365 -0.015 30 20 DBED N#CCN1C[C@H](CNC(=O)c2cn(C3CCC3)nn2)[C@@H](O)C1 958073536 LWHODYKCYUWYCO-GWCFXTLKSA-N 304.354 -0.451 30 20 DBED Cc1cn2ccnc(C(=O)NC[C@H]3CN(CC#N)C[C@H]3O)c2n1 958578428 VDSFTMJQDABCET-NWDGAFQWSA-N 314.349 -0.416 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2cccnc2N(C)C)C1 958676250 DJURPMRVQXRNDB-OCCSQVGLSA-N 302.378 -0.197 30 20 DBED C=CCCN1C[C@@H](O)[C@@H](CNC(=O)c2ccc(C(N)=O)cn2)C1 958743951 CSDNGFSMTFCGIQ-GXTWGEPZSA-N 318.377 -0.221 30 20 DBED C=CCCn1cc(C(=O)NC2[C@@H]3CN(CC(=O)NC)C[C@@H]23)nn1 961990243 RNODNBYLVUDJMI-GHMZBOCLSA-N 318.381 -0.740 30 20 DBED C#CCN1C[C@@H]2C(NC(=O)c3cccc(-n4cnnn4)c3)[C@H]2C1 962509499 OOJLEIVBSRAAGG-KBPBESRZSA-N 308.345 -0.045 30 20 DBED C=C[C@](C)(CC)C(=O)N1C[C@H](O)[C@H](NC(=O)Cn2nccn2)C1 964029526 ZYIGADZQBPLELI-TYNCELHUSA-N 321.381 -0.432 30 20 DBED N#CCNC1CC2(C1)CC(NC(=O)c1nnc(O)nc1O)C2 964226379 NSXVYDHXARSAHY-UHFFFAOYSA-N 304.310 -0.563 30 20 DBED O=C(Cc1cncs1)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 966731208 SATJOUBSUBFLJP-OLZOCXBDSA-N 319.386 -0.213 30 20 DBED C[C@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)[C@H]1CCC(=O)NC1)C2 969816835 FXQBLSIYVNTMFF-VOAKCMCISA-N 318.377 -0.126 30 20 DBED C=C(C)CN1CCO[C@]2(CCN(C(=O)CS(C)(=O)=O)C2)C1 972285027 LEBNGMJWAXGHEN-CQSZACIVSA-N 316.423 -0.090 30 20 DBED C#CCCN1CCO[C@@]2(CCN(C(=O)Cn3cncn3)C2)C1 972667898 SDLZAQZORDGVSD-HNNXBMFYSA-N 303.366 -0.395 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)CN3CCCC3=O)C[C@H]21 974976005 SQUSAFUCVMGZQI-YNEHKIRRSA-N 318.377 -0.172 30 20 DBED C#Cc1cncc(C(=O)N[C@H]2CN(CC(N)=O)CC2(C)C)c1 975011929 OUKSYPQWBAWEDP-ZDUSSCGKSA-N 300.362 -0.012 30 20 DBED CCn1nnc(C)c1C(=O)N[C@H]1[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]21 976629040 RNKDPLPRMOVMGU-OHBODLIOSA-N 316.365 -0.047 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1[C@@H]2CN(CC(=O)N(C)C)C[C@H]12 978716309 JPPCTFYHXBAPPM-ZSAUSMIDSA-N 321.421 -0.040 30 20 DBED C#Cc1ccc(C(=O)N(C)C[C@H]2CCN(C(=O)C(N)=O)C2)cn1 988278131 CSVKCXUQERWRNM-LLVKDONJSA-N 314.345 -0.531 30 20 DBED C#CCN[C@H]1C[C@H](C)N(C(=O)CN2C(=O)CC(C)(C)C2=O)C1 988843751 LBGQAQOOCQZJSC-RYUDHWBXSA-N 305.378 -0.016 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(NC(=O)[C@H]2CCC(=O)N2)C1 990499255 XIDFOMTULHCXBC-SCRDCRAPSA-N 321.377 -0.427 30 20 DBED C=CCn1cc(C(=O)NC2CN(C(=O)c3n[nH]cc3F)C2)nn1 991673328 LTVLQRMTOWOGIU-UHFFFAOYSA-N 319.300 -0.419 30 20 DBED C=CCn1cc(C(=O)NC2CN(C(=O)[C@@H](OC)C3CC3)C2)nn1 991674457 YEDKNPYRSINESN-ZDUSSCGKSA-N 319.365 -0.170 30 20 DBED C#CCCN1CC[C@@]2(NC(=O)[C@@H]3CC(=O)NC(=O)N3)CCC[C@H]12 992287592 HZLUNTJKMYIHCU-MKBNYLNASA-N 318.377 -0.279 30 20 DBED N#CCN1CC[C@]2(NC(=O)CN3C(=O)CNC3=O)CCC[C@@H]12 992473222 KGWVMSFNZBRJCS-QMTHXVAHSA-N 305.338 -0.825 30 20 DBED C#CCN1CC[C@@]2(NC(=O)c3cn(C)c(=O)nc3O)CCC[C@H]12 992493678 LHFWBUAWBFGBKZ-LRDDRELGSA-N 316.361 -0.154 30 20 DBED C=CC(C)(C)C(=O)N1CC(NC(=O)[C@@H]2CCS(=O)(=O)C2)C1 995439646 XYDIOSWMTBJJNA-SNVBAGLBSA-N 314.407 -0.040 30 20 DBED N#Cc1ccc(C(=O)N2CCC[C@@H](N[C@H]3CCNC3=O)C2)[nH]1 998963685 ZBJONRSNAYDCHY-NEPJUHHUSA-N 301.350 -0.031 30 20 DBED CN(C[C@@H]1CCCN1C(=O)C#CC1CC1)C(=O)[C@H]1COC(=O)N1 1002483743 BKAJHUFSDSCHMI-QWHCGFSZSA-N 319.361 -0.042 30 20 DBED C=CC(C)(C)C(=O)N1CCN(C(=O)[C@H]2CN(C)C(=O)N2)CC1 1011907056 RMDAURSZMNPFMP-LLVKDONJSA-N 308.382 -0.107 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CC[C@@H](C)N(C(=O)C(N)=O)C2)cn1 1018296599 BWYYGUAPKAGPSC-ZWNOBZJWSA-N 314.345 -0.343 30 20 DBED C=CCN1CC[C@H](N[C@H]2CCN(C(=O)Cn3cccn3)C2)C1=O 1018503749 MYDGOIAMRAPDIT-KBPBESRZSA-N 317.393 -0.140 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCN(C(=O)[C@@]3(C)CCNC3=O)C2)C1 1019364757 LKDRJYOFIPKYCL-NHYWBVRUSA-N 318.377 -0.267 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc3c([nH]2)CCC3)C1 1024687359 RPNBSVYKMFGMEL-CUOATXAZSA-N 316.361 -0.035 30 20 DBED CC(C)n1cnc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2O)c1 1024741434 FZTPLMQAGARQHC-DMDPSCGWSA-N 319.365 -0.075 30 20 DBED C#CCN[C@@H]1CC[C@H]2CN(C(=O)c3ccc(=O)n(C)n3)C[C@H]21 1026415097 ZAJSEGCKCQLZPJ-YNEHKIRRSA-N 300.362 -0.146 30 20 DBED N#Cc1ccc(CN2CC(CNC(=O)[C@H]3CNC(=O)N3)C2)cc1 1031945023 MPXFDTUYPCPMCG-CQSZACIVSA-N 313.361 -0.212 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)c2cnc(C)nc2OC)C1 1035391278 NKDCRFBJTPHKAP-LBPRGKRZSA-N 304.350 -0.143 30 20 DBED CC(=O)Nc1ccc(C(=O)NC[C@H]2CN(CC#N)CCO2)nc1 1035392407 VRGQQQQPHIABQG-ZDUSSCGKSA-N 317.349 -0.006 30 20 DBED O=C(C#CC1CC1)NC[C@@]1(O)CCN(C(=O)c2ccon2)C1 1039678403 VFJONVKPAYMPGF-HNNXBMFYSA-N 303.318 -0.219 30 20 DBED C=CCOCC(=O)N1CC[C@](O)(CNC(=O)Cc2ncc[nH]2)C1 1040694864 OVADQSJEELUZSP-HNNXBMFYSA-N 322.365 -0.766 30 20 DBED Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)nn1 1040965623 TZBVXNXAMYFRPQ-CHWSQXEVSA-N 312.333 -0.036 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)Cc2nnc(C)o2)C1 1041956425 LCXKSNBVGWMJAZ-UHFFFAOYSA-N 308.338 -0.424 30 20 DBED C=CCN1CC[C@H](N2CC(N(C)C(=O)Cn3nccn3)C2)C1=O 1042797342 QXKZPMUBKQRFCA-ZDUSSCGKSA-N 318.381 -0.792 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)c2cc(C#N)c[nH]2)C1 1042803144 SJGLAAGKFFYXGR-UHFFFAOYSA-N 314.345 -0.007 30 20 DBED C[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1Nc1ccc(C#N)nc1 1043334678 CPXZJNWXKNTYEM-ZWNOBZJWSA-N 312.337 -0.101 30 20 DBED C[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)C[C@H]1Nc1nccnc1C#N 1043474700 PWTUHOKBHPWCAW-FBIMIBRVSA-N 315.337 -0.712 30 20 DBED CO[C@H]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)C#CC3CC3)C2)C1 1043638981 GPYIBXHFTLPSJP-KGLIPLIRSA-N 320.389 -0.096 30 20 DBED N#Cc1cccnc1N1C[C@H](O)[C@H](NC(=O)[C@H]2CCCO2)C1 1043849254 XSOWKQCOGQRVEJ-FRRDWIJNSA-N 302.334 -0.202 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CN(c3cc(F)ncn3)C[C@@H]2O)c1 1043886325 IKSGIHRYBGVVQM-MNOVXSKESA-N 316.296 -0.205 30 20 DBED Cc1ncccc1CC(=O)NCC1(O)CN(C(=O)[C@H](C)C#N)C1 1046652225 AWZSILVQKHDKPL-LLVKDONJSA-N 316.361 -0.218 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccoc2CC(N)=O)C1 1047502515 NDOPLXHAXISEBS-STQMWFEESA-N 319.361 -0.552 30 20 DBED CN(C(=O)C(N)=O)[C@H]1CN(Cc2ccccc2C#N)C[C@@H]1O 1047507305 SKYMTJUCVIRTPA-STQMWFEESA-N 302.334 -0.953 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCn3c(cnc3C)C2)C1 1047527355 DEKHCZLWDRMTJO-KBMXLJTQSA-N 316.405 -0.109 30 20 DBED C#CCOCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)OC)C1 1048433255 RJEKFHSEPCEHNI-AGIUHOORSA-N 312.366 -0.909 30 20 DBED C#CCOCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCOC2)C1 1048492546 PWDAYWZIIJSBKY-RDBSUJKOSA-N 324.377 -0.907 30 20 DBED CC1(C)C(=O)NC(=O)N1CC(=O)N1C[C@@H]2CN(CC#N)C[C@@H]2C1 1049154112 IRJWCKLBLGQDJX-PHIMTYICSA-N 319.365 -0.769 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2nc[nH]n2)C1 1049196734 SMGFSKNAZDLFQI-QWRGUYRKSA-N 305.338 -0.892 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)c2cnn(C)c2)C[C@@H]1O 1049388257 HYWGRGXTBLLJJT-USWWRNFRSA-N 305.338 -0.777 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)Cc2ccc[nH]2)C[C@@H]1O 1049401290 DCHWNPFEHBLEQA-WXHSDQCUSA-N 304.350 -0.253 30 20 DBED CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)CN1CC(=O)NC1=O 1049789951 IUFZTLQTSPKNGG-QWHCGFSZSA-N 318.377 -0.373 30 20 DBED C#CCCCC(=O)N[C@H](C)[C@@H]1CCN(C(=O)Cn2cnnn2)C1 1049969347 RIUQCDYJUQXIML-CHWSQXEVSA-N 318.381 -0.170 30 20 DBED C#CCCN1C[C@@H]2CCCN(C(=O)CN3CC(=O)NC3=O)[C@@H]2C1 1050166051 NKHNFTFNBKQKEU-QWHCGFSZSA-N 318.377 -0.516 30 20 DBED C#CCCN1CCOC[C@H]1CNC(=O)c1cnc2n1CCOC2 1050963770 JWJBDMAFDGSXDP-CYBMUJFWSA-N 318.377 -0.133 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)c1nc(C)c(C)nc1O 1050978742 MWGVOMBIULJCJZ-GFCCVEGCSA-N 304.350 -0.137 30 20 DBED Cc1nccn1CC(=O)N1CC[C@@H](N2CCN(CC#N)CC2)C1 1052117262 CJOJFKZMPKTXHU-OAHLLOKOSA-N 316.409 -0.066 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)CN1CCCCC1=O)CCO2 1053325968 LAYHLGOWEKMZOU-UHFFFAOYSA-N 319.405 -0.065 30 20 DBED N#CCN1CC2(CC[C@H](CNC(=O)C34CCN(CC3)C4)O2)C1 1053690976 QIYSSPSQXRYEIP-CYBMUJFWSA-N 304.394 -0.045 30 20 DBED CN1CC[C@@H](CC(=O)N[C@@H]2COC3(C2)CN(CC#N)C3)C1=O 1053841422 IXWRDNMCGWKELW-RYUDHWBXSA-N 306.366 -0.662 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)[C@@]3(C)CNC(=O)C3)CO2)C1 1053879355 OLYZSFXVNNEGPZ-SWLSCSKDSA-N 305.378 -0.505 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)C[C@H]3CC(=O)NC3=O)CO2)C1 1054026011 OLXDJESCLGNODV-RYUDHWBXSA-N 319.361 -0.978 30 20 DBED C[C@@H]1CN(C(=O)C2CC3(C2)CS(=O)(=O)C3)C[C@@H]1NCC#N 1054798253 RSMRXIVHRXDBDZ-PWSUYJOCSA-N 311.407 -0.229 30 20 DBED C=CCCOCC(=O)N1C[C@@H]2CN(C(=O)CNC(C)=O)C[C@@H]2C1 1055130175 IDGFTXPOJRSCGX-OKILXGFUSA-N 323.393 -0.368 30 20 DBED C#CCCCC(=O)N1CCC[C@](CO)(NC(=O)CNC(C)=O)C1 1055717257 BQMRVDXDRKDUCN-INIZCTEOSA-N 323.393 -0.604 30 20 DBED N#Cc1ccc([N+](=O)[O-])c(N2CCN(C(=O)CC(N)=O)CC2)c1 1055747269 XCTGTQQPLYTAMG-UHFFFAOYSA-N 317.305 -0.010 30 20 DBED N#Cc1cnc(N2CCN(C(=O)[C@H]3CNC(=O)N3)CC2)c(F)c1 1055999053 VYHHHNLEURTSQY-LLVKDONJSA-N 318.312 -0.578 30 20 DBED C#CCCCCC(=O)N(CCO)CCNC(=O)[C@H]1CCNC1=O 1057390619 IQNOHRRYTYRFQB-ZDUSSCGKSA-N 323.393 -0.747 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)[C@H]1CCC(=O)N1 1057439738 YUCAFQBJUYYQPL-GFCCVEGCSA-N 309.366 -0.994 30 20 DBED C=CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)c1ccnn1C 1057921175 BFTFYXCOZOABTQ-LBPRGKRZSA-N 324.381 -0.438 30 20 DBED C=CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)Cc1ncc[nH]1 1057922083 WNKNWCOGNPCTEJ-LBPRGKRZSA-N 324.381 -0.520 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)[C@@H]1C[C@H]2C=C[C@H]1O2 1057945195 QXZDPHWNDXOMQE-MGPQQGTHSA-N 324.377 -0.530 30 20 DBED COc1ccc(C(=O)N(CCO)CCNC(=O)[C@H](C)C#N)cn1 1058079681 YZGNRUDXDUSGEP-LLVKDONJSA-N 320.349 -0.199 30 20 DBED CC[C@@H](F)C(=O)N(CCO)CCNC(=O)CSCC#N 1058380807 ONMVXIHOIJMXLZ-SNVBAGLBSA-N 305.375 -0.072 30 20 DBED CCn1cc(C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N)c(C)n1 1058658551 GAIKKTLYBNKCSA-NSHDSACASA-N 321.381 -0.078 30 20 DBED CN1CCOC[C@@H]1C(=O)N1CC[C@H](Nc2nccnc2C#N)C1 1058855338 XQRXTNNEBPPTRH-WCQYABFASA-N 316.365 -0.308 30 20 DBED CN1CCO[C@@H](C(=O)N2CC[C@H](N=c3cc[nH]cc3C#N)C2)C1 1058857595 SWJKGNZCFSTRCS-DZGCQCFKSA-N 315.377 -0.281 30 20 DBED N#Cc1nccnc1N[C@H]1C[C@H](NC(=O)[C@H]2CC[C@@H]2C(N)=O)C1 1059368603 XXIFWLUMOSLYTO-NAKRPEOUSA-N 314.349 -0.081 30 20 DBED N#CCSCC(=O)N1CC2(CCN(C(=O)C(N)=O)CC2)C1 1060910904 IMQDQKTYZMMODK-UHFFFAOYSA-N 310.379 -0.821 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@H]1COCCN1C(=O)c1cnco1 1061537903 FZZPENLHUGXWPP-NHYWBVRUSA-N 323.349 -0.041 30 20 DBED C#CCOCCC(=O)NC[C@@H]1COCCN1C(=O)[C@@H](C)OC 1061580933 IHBLNPMQSYOZMF-CHWSQXEVSA-N 312.366 -0.595 30 20 DBED C=CCOCC(=O)NC[C@H]1CCCCN1C(=O)[C@@H]1CCNC1=O 1062295410 GWECXEIYEKSXNX-CHWSQXEVSA-N 323.393 -0.178 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)[C@@H]2COCCN2C)CCC1 1062823648 AZVOTBXWRUXTER-NEPJUHHUSA-N 308.382 -0.368 30 20 DBED Cn1nncc1C(=O)NC1(CNC(=O)C#CC2CC2)CCC1 1062974261 TYJNQVKAVCCNIH-UHFFFAOYSA-N 301.350 -0.003 30 20 DBED C#CCOCCC(=O)NCC1(NC(=O)[C@@H](C)CC(N)=O)CCC1 1063042019 KXSSPLBTHAPUCX-LBPRGKRZSA-N 323.393 -0.307 30 20 DBED Cc1nn[nH]c1C(=O)N[C@@H]1[C@H]2C[C@H]1N(c1ccnc(C#N)n1)C2 1064325201 VYUIMIWFHGTWNA-IGJMFERPSA-N 310.321 -0.218 30 20 DBED C=CCO[C@@H](C)C(=O)NC[C@@H]1CN(C(=O)c2cn[nH]c2)CCO1 1064899666 AQRWWJDRYBWHQB-WCQYABFASA-N 322.365 -0.042 30 20 DBED C[C@@]1(NC(=O)[C@H]2CCC(=O)N2)CCN(c2ccnc(C#N)n2)C1 1065224787 OYRRJNCUEAEMHG-MEBBXXQBSA-N 314.349 -0.288 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)C(C)(C)C(N)=O)CCO1 1065263849 YTICIRNHHZYUBI-GFCCVEGCSA-N 323.393 -0.499 30 20 DBED C=CC(C)(C)C(=O)NC[C@@H]1CN(C(=O)[C@@H]2CCNC2=O)CCO1 1065423138 XBBAQLWHMRDCIX-VXGBXAGGSA-N 323.393 -0.322 30 20 DBED Cn1nncc1C(=O)N1C[C@@H]2CN(c3cncc(C#N)n3)C[C@@H]2C1 1065997479 GUNWTLDFVSYEJA-PHIMTYICSA-N 324.348 -0.315 30 20 DBED C=CCOCCCC(=O)N[C@@H]1CCCN(C(=O)C(N)=O)CC1 1066026119 QRZBWOCGMHYDCO-GFCCVEGCSA-N 311.382 -0.048 30 20 DBED CN(CCCN(C)C(=O)c1ccc(C#N)[nH]1)C(=O)CNC(N)=O 1066769452 RTXXJEMTXSSXRF-UHFFFAOYSA-N 320.353 -0.525 30 20 DBED N#Cc1cccnc1NCC1CC(NC(=O)Cn2cnnn2)C1 1067829501 ZQMJKGAHOPXIJP-UHFFFAOYSA-N 312.337 -0.053 30 20 DBED C=CCCC(=O)N[C@@H]1COC2(C1)CN(C(=O)Cn1cncn1)C2 1068756359 BIBJUONBNGXYNW-LBPRGKRZSA-N 319.365 -0.270 30 20 DBED C=CCCC(=O)N1CC2(C[C@H](NC(=O)c3cnnn3C)CO2)C1 1068840491 ZKNKVEDNVJDNAC-NSHDSACASA-N 319.365 -0.119 30 20 DBED CCC1(NC(=O)CNC(N)=O)CCN(C(=O)C#CC2CC2)CC1 1069363344 CFTDAEPXXHIPNN-UHFFFAOYSA-N 320.393 -0.045 30 20 DBED Cc1n[nH]cc1C(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1 1069992777 UOLJYHWQRCJVOT-NEPJUHHUSA-N 300.326 -0.512 30 20 DBED C#CCN[C@@H]1CN(C(=O)CCc2cnc[nH]2)C[C@@H]1n1ccnn1 1070207579 DFRWQWOOXBGXDE-KGLIPLIRSA-N 313.365 -0.391 30 20 DBED C=C1CC(C)(C(=O)NCC2(NC(=O)C(N)=O)CCOCC2)C1 1070229001 WTCUAYPITMZTBC-UHFFFAOYSA-N 309.366 -0.390 30 20 DBED CO[C@@H](C)CN1CCNC(=O)CCN(C(=O)[C@@H](C)C#N)CC1 1070947281 PUSNEAATBLEBDZ-STQMWFEESA-N 310.398 -0.169 30 20 DBED C[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@]2(CCN(CC#N)C2)O1 1071143543 ARUHCFORNJNQSN-DGCLKSJQSA-N 315.395 -0.754 30 20 DBED C[C@@H](C#N)C(=O)NC1(C)CCN(C(=O)[C@@H]2COC(=O)N2)CC1 1072993562 JPUOGSSORSXMHD-UWVGGRQHSA-N 308.338 -0.248 30 20 DBED C=CCCN1CCC2(C1)CN(C(=O)[C@@H]1CCS(=O)(=O)N1)C2 1073439005 GTHVLRGWRHBKOR-LBPRGKRZSA-N 313.423 -0.212 30 20 DBED COCC(=O)N1CC(N2CCN(C(=O)C#CC(C)C)CC2)C1 1073570949 JRDDFKGNRGDVCM-UHFFFAOYSA-N 307.394 -0.353 30 20 DBED O=C(NCC1(O)CCN(C(=O)C#CC2CC2)CC1)c1cn[nH]c1 1074581207 NGLOBCUEYDRGPL-UHFFFAOYSA-N 316.361 -0.094 30 20 DBED C=CC(C)(C)C(=O)N[C@@H](C)CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 1076542172 HWJJIHJZQAVXPZ-UWVGGRQHSA-N 324.381 -0.192 30 20 DBED C=CCCOCC(=O)NCC[C@H](C)NC(=O)Cn1ncnn1 1077064272 ZAHDXBRCYXDDBO-NSHDSACASA-N 310.358 -0.723 30 20 DBED C#CCOCCC(=O)N[C@@H](C)CCNC(=O)Cn1cncn1 1078572811 UWJZFXIGDFMWOZ-LBPRGKRZSA-N 307.354 -0.671 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCC[C@@H](N(C)C(=O)C(N)=O)CC1 1079052519 PJOOVIHFLNMSOF-IAQYHMDHSA-N 311.382 -0.362 30 20 DBED CCN(C(=O)C#CC1CC1)C1CN(C(=O)CCNC(N)=O)C1 1079740338 IQRQPDAXZCXQSN-UHFFFAOYSA-N 306.366 -0.483 30 20 DBED C#CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)C2=COCCO2)C1 1079771155 UAPMRKOSFBQHNR-GFCCVEGCSA-N 322.361 -0.028 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(N(CC)C(=O)Cn2ncnn2)C1 1079829479 MYNAJAAXPKNTAA-CQSZACIVSA-N 322.369 -0.941 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)c2[nH]c(O)nc2C)C[C@@H]1O 1081338293 ORXVWNYNPLQSNJ-QWRGUYRKSA-N 322.365 -0.061 30 20 DBED COCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1 1081413931 MZJSIYXGYCMOPK-ZWNOBZJWSA-N 320.349 -0.528 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(C(=O)C(C)(F)F)C[C@H]1O 1081487031 ZZIXLFVKUMDOPP-GHMZBOCLSA-N 318.320 -0.383 30 20 DBED C=CC(C)(C)CC(=O)NC[C@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1O 1081516761 IXVAKOQXTBAWAT-QWRGUYRKSA-N 321.381 -0.044 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CCN1CCOCC1 1083224552 DVSCXARXYZRRMY-JKSUJKDBSA-N 321.421 -0.356 30 20 DBED CC(C)Oc1cnc(C(=O)N[C@@H]2CCN(CC#N)C[C@@H]2O)cn1 1090270793 ZSVCPKKUTNKEHP-YPMHNXCESA-N 319.365 -0.048 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2cnc3[nH]nnc3c2)[C@@H](O)C1 1090326565 JVHJOXCGPSSZMR-YPMHNXCESA-N 314.349 -0.459 30 20 DBED CC[C@H](C(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1O)N(C)C 1090455361 SVIXVXVFMOIBHJ-JHJVBQTASA-N 318.381 -0.646 30 20 DBED C#CCN1CC[C@H](NC(=O)Cc2ccnc(OC)c2)[C@@H](O)C1 1090573468 MVJKJZBLRYZGJT-KBPBESRZSA-N 303.362 -0.183 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)c2cccnc2C(N)=O)[C@@H](O)C1 1090824086 KRQNXPJHPXVWAN-OLZOCXBDSA-N 318.377 -0.078 30 20 DBED N#Cc1nc(=NCCNC(=O)c2cccn3nnnc23)cc[nH]1 1093897437 XEAKPCNJUKHTDR-UHFFFAOYSA-N 309.293 -0.950 30 20 DBED N#Cc1nccnc1NCCNC(=O)[C@@H]1CCCCS1(=O)=O 1093923139 UEYGBPDYBFDARB-NSHDSACASA-N 323.378 -0.156 30 20 DBED C[C@H]1CCCN(C(=O)C(=O)NCCN=c2cc[nH]c(C#N)n2)C1 1094154409 CWBPHOSNIHESIW-NSHDSACASA-N 316.365 -0.443 30 20 DBED COCC(=O)N[C@H](C)C(=O)NCCNc1ncccc1C#N 1094185233 LOEFXQQZWLDLCH-SNVBAGLBSA-N 305.338 -0.368 30 20 DBED CNC(=O)C1(C(=O)NCCCNc2cnc(C#N)cn2)CC1 1094496911 NHUSEJHNGZZGLH-UHFFFAOYSA-N 302.338 -0.207 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)[C@@H]3CCCN3C)CC2=O)C1 1094713566 DDNXOVJFHNJNLU-JSGCOSHPSA-N 306.410 -0.332 30 20 DBED CC#CCN1CC(N2C[C@@H](NC(=O)c3n[nH]cc3F)CC2=O)C1 1094784927 JWLWGKNMHHPRDE-JTQLQIEISA-N 319.340 -0.413 30 20 DBED CN(CCCNC(=O)[C@H]1CCCC(=O)N1)c1cnc(C#N)cn1 1095660012 DGCVJTFFTYGWBU-GFCCVEGCSA-N 316.365 -0.041 30 20 DBED CCNC(=O)CC(=O)N[C@@H]1CCCN(c2ccnc(C#N)n2)C1 1096161114 OQXQDPNPGOOFNG-LLVKDONJSA-N 316.365 -0.041 30 20 DBED CNC(=O)NCCC(=O)N[C@H]1CCN(c2ncccc2C#N)C1 1096367901 VAYVOBMWQOENSW-LBPRGKRZSA-N 316.365 -0.033 30 20 DBED CC(=O)N[C@H](C)C(=O)NC[C@H](N=c1cc[nH]c(C#N)n1)C1CC1 1096569750 QICCPOBRGLNNCP-SKDRFNHKSA-N 316.365 -0.399 30 20 DBED C[C@@H](CNC(=O)CCn1cncn1)Nc1cnc(C#N)cn1 1097655898 YMTKPDNFFGLBIZ-JTQLQIEISA-N 300.326 -0.053 30 20 DBED C[C@@H](CNC(=O)CN1CCNC(=O)C1)Nc1ccc(C#N)cn1 1098188264 FNABUSCXQQEVQD-NSHDSACASA-N 316.365 -0.698 30 20 DBED C=CCCCNCc1cn([C@H]2CCN(C(=O)CC(N)=O)C2)nn1 1098639967 BUQZUPQFPGEEHA-ZDUSSCGKSA-N 320.397 -0.017 30 20 DBED N#CCNC(=O)CN1CC[C@H](NC(=O)C=C2CCC2)[C@@H](O)C1 1099764165 RAPQEWQSTUEZKH-STQMWFEESA-N 306.366 -0.712 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)c2cn(C)cn2)[C@H](O)C1 1099769622 VHMYXYBHIIEUAB-GXTWGEPZSA-N 308.382 -0.212 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)C#CC2CC2)[C@@H](O)C1 1099813242 MKCIDIZAMRGDAH-KBPBESRZSA-N 305.378 -0.747 30 20 DBED CC/C(C)=C\C(=O)N[C@@H]1CCN(CC(=O)NCC#N)C[C@@H]1O 1099818088 JXOMYDMPQJVEFU-ASDJVNKTSA-N 308.382 -0.466 30 20 DBED CCn1ncnc1CN1CC[C@@H](NC(=O)C#CC2CC2)[C@H](O)C1 1099824759 YQYQJQXYIBHFNT-ZIAGYGMSSA-N 317.393 -0.237 30 20 DBED C#CCN1CC[C@H](NC(=O)CS(=O)(=O)CC(C)C)[C@H](O)C1 1099894822 QSMDJFHHPKNWLV-QWHCGFSZSA-N 316.423 -0.758 30 20 DBED Cc1cc(C#N)nc(N(C)CCNC(=O)[C@@H]2COCCO2)n1 1099945213 XHLSRWWMPYBEHM-LBPRGKRZSA-N 305.338 -0.376 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)COCc2nncn2C)[C@H](O)C1 1100057984 LNFWCBRWWVSAQG-QWHCGFSZSA-N 323.397 -0.541 30 20 DBED C#CCN1CC[C@H](NC(=O)CS(=O)(=O)C(C)(C)C)[C@@H](O)C1 1100077179 YJKMFIIDNSGWTB-RYUDHWBXSA-N 316.423 -0.616 30 20 DBED C=CCNC(=O)CNC1CC(CNC(=O)c2ncccn2)C1 1100775769 IHRNFCGWTGNIIZ-UHFFFAOYSA-N 303.366 -0.123 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)[C@@H]1CCCN1C(N)=O 1101673801 DACZSINUKOYHIH-JTQLQIEISA-N 317.353 -0.816 30 20 DBED N#Cc1ccc(N2C[C@@H]3C[C@H]2CN3C(=O)CCNC(N)=O)nc1 1102552644 SCNXVBXSDPGIFB-RYUDHWBXSA-N 314.349 -0.199 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@@H]1CCN(c2nccn3nnnc23)C1 1102701947 LHKAYDUXYWSCLP-VHSXEESVSA-N 300.326 -0.284 30 20 DBED C[C@H](CNC(=O)Cn1cnnn1)CNc1ccc(C#N)cn1 1103853416 DUCRVSXHDSCVDL-JTQLQIEISA-N 300.326 -0.196 30 20 DBED C[C@@H](CNC(=O)[C@H]1CNC(=O)N1)CNc1ccc(C#N)nc1 1104184102 VNIFAYODGLVFHU-BXKDBHETSA-N 302.338 -0.201 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)CN1CCCC1=O 1104447839 PEQPRXJYXHGRBV-LLVKDONJSA-N 316.365 -0.349 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)[C@H]1CCNC(=O)C1 1104506139 LBUVMQKVVCZTEB-QWRGUYRKSA-N 316.365 -0.445 30 20 DBED C#CCNCC[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)N2)C[C@H]1C 1105023391 XLJQQHDLBXKECD-JHJVBQTASA-N 313.423 -0.615 30 20 DBED C=CCCNCc1cn(C2CN(C(=O)C3(C(N)=O)CC3)C2)nn1 1105315575 UXWGSLVJGXZWJE-UHFFFAOYSA-N 318.381 -0.407 30 20 DBED CC(=O)N[C@H](C)C(=O)NC[C@@H](O)CNc1nc(C)ccc1C#N 1105734802 DXYULLJGEXLFQR-MFKMUULPSA-N 319.365 -0.325 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H](O)CNC(=O)CCn1cccn1 1105756711 YXDRNRDSGUZSAE-ZDUSSCGKSA-N 314.349 -0.449 30 20 DBED CC(C)[C@H](C(=O)NC[C@@H](O)CNc1nccnc1C#N)N(C)C 1105918164 YUKCFZALZYJDCT-WCQYABFASA-N 320.397 -0.177 30 20 DBED CCc1nc[nH]c1C(=O)NC[C@H](O)CNc1cncc(C#N)n1 1105921222 AJNNBRUBGWMCCV-SNVBAGLBSA-N 315.337 -0.163 30 20 DBED C[C@@H](CCNc1ccc(C#N)nc1)NC(=O)Cn1cnnn1 1106192812 JOSPMTMAWMJEEG-JTQLQIEISA-N 300.326 -0.053 30 20 DBED CN1CCO[C@@H](C(=O)NC/C=C/CNc2cncc(C#N)n2)C1 1107094351 ZSLYIQDLDJSEOP-YWVDXFKGSA-N 316.365 -0.237 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)c2ccnn2CCOC)C1 1108016204 BXEFNPPIIRIQNG-INIZCTEOSA-N 320.393 -0.017 30 20 DBED COCC#CCN1CCO[C@](C)(CNC(=O)CCN(C)C)C1 1108182590 LSEKMIFKBVACJP-MRXNPFEDSA-N 311.426 -0.205 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CNc1cc(C)nc(OC)n1 1108321009 HVYWFINIRCNCNX-NSHDSACASA-N 319.365 -0.150 30 20 DBED C#CCCN1CC(N2C[C@@H](NC(=O)[C@@H](CC)OC)CC2=O)C1 1108517042 BEZAOIAAUWUOQM-GXTWGEPZSA-N 307.394 -0.164 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cc[nH]n1 1108952996 GEUXKTMESQKFRX-WXHSDQCUSA-N 301.350 -0.506 30 20 DBED COCCCC(=O)NC[C@@]1(O)CCN(c2cnc(C#N)cn2)C1 1111051245 ZMXIEOFWWJXMJQ-HNNXBMFYSA-N 319.365 -0.168 30 20 DBED COCc1cc(N2C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)C#N)C2)ncn1 1111176614 LUSSRQSWMUSQST-WXHSDQCUSA-N 319.365 -0.209 30 20 DBED COCC(=O)NC[C@H]1COCCN1c1nc(C)cc(C#N)n1 1111655320 PHXFHGSEZZOIRP-LBPRGKRZSA-N 305.338 -0.376 30 20 DBED COCC#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[C@H]2C(N)=O)C1 1111871616 AYRCHPOROHJPDP-LOUJCGABSA-N 319.405 -0.272 30 20 DBED CN(CCCN(C)c1cnc(C#N)cn1)C(=O)Cn1cncn1 1112087233 SQXFFLGRQSGMQE-UHFFFAOYSA-N 314.353 -0.075 30 20 DBED Cn1cnn(CC(=O)N2C[C@@H]3CCC[C@]3(CNCC#N)C2)c1=O 1112440591 WSGGZKXHFCWKRY-WFASDCNBSA-N 318.381 -0.676 30 20 DBED CC(C)(O)CC(=O)NC[C@@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1112717595 LVUMFDRAKOWFCB-PWSUYJOCSA-N 319.365 -0.577 30 20 DBED N#Cc1nccc(N2C[C@H](CNC(=O)C#CC3CC3)[C@@H](O)C2)n1 1112720909 REXBXMHIMFCJES-STQMWFEESA-N 311.345 -0.325 30 20 DBED C#CCOCCC(=O)NC[C@H]1CN(c2cc(F)ncn2)C[C@H]1O 1112738005 LHQSILPTCAGZHE-NWDGAFQWSA-N 322.340 -0.431 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CN3CCC2CC3)CC1 1112857344 GLPUPDYBAXBRBI-OAHLLOKOSA-N 318.421 -0.778 30 20 DBED C[C@@H](NC(=O)Cn1ncnn1)[C@@H](C)Nc1cncc(C#N)n1 1113194462 RFSYXYQRIYLSAA-RKDXNWHRSA-N 301.314 -0.660 30 20 DBED CC1(C(=O)N2CCN(CC(=O)NCC#N)CC2)CCOCC1 1113433252 BLBBMHBZKSZELK-UHFFFAOYSA-N 308.382 -0.413 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)N(C)c1cnc(C#N)cn1 1113802217 JVWWPLGCCASIAW-ONGXEEELSA-N 317.353 -0.687 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCC(=O)NC1)N(C)c1nccnc1C#N 1113961289 JOKICPGQFBKNAM-QWRGUYRKSA-N 316.365 -0.185 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@@H](C)OCCC=C)[C@H]2C1 1113999611 QMTRDEHYPNTETG-NYTXWWLZSA-N 319.405 -0.237 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)Cc3ccon3)[C@H]2C1 1114093002 HQAMGVHJMSZZDA-MUYACECFSA-N 318.377 -0.046 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1[C@@H]2CN(Cc3ncc(C)o3)C[C@@H]21 1114158011 ONJCXJARKKVVQX-ATCWAGBWSA-N 316.361 -0.331 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@H]1[C@@H]2CN(CC(=O)N3CCCC3)C[C@@H]21 1114189385 NXZXDXTXIGPESD-OSRSDYAFSA-N 321.421 -0.018 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)C3CCN(C)CC3)[C@H]2C1 1114773801 CGGOQINKBOCLAA-KBPBESRZSA-N 320.437 -0.323 30 20 DBED CN(CCOCCNC(=O)[C@@H]1CCOC1)c1ccc(C#N)nn1 1115180671 SOFWKCJXQPDENE-GFCCVEGCSA-N 319.365 -0.046 30 20 DBED C=CCNC1(CNC(=O)CNC(=O)CNC(C)=O)CCCCC1 1115598003 FCPKUSHOZJNJRP-UHFFFAOYSA-N 324.425 -0.167 30 20 DBED C[C@H](CN(C)C(=O)Cn1cnnn1)Nc1ccc(C#N)nn1 1115603197 PLPQWTGDHJCBNS-SECBINFHSA-N 301.314 -0.706 30 20 DBED C[C@H](Cn1cccn1)NC(=O)C(=O)Nc1cnn(CC#N)c1 1116336616 UGPMHJCZQAIWFG-SNVBAGLBSA-N 301.310 -0.253 30 20 DBED C#CCOCCn1nnnc1N1CC[C@@H]2NC(=O)CC[C@@H]2C1 1120159636 BTGSYSLRTPNRDU-NEPJUHHUSA-N 304.354 -0.572 30 20 DBED Cc1c(C(=O)NC[C@H](CO)N=c2cc[nH]cc2C#N)cnn1C 1121044266 PFSNJAVZNXSJMZ-GFCCVEGCSA-N 314.349 -0.380 30 20 DBED CC(=O)N(C)CC(=O)NC[C@H](CO)Nc1ccc(C#N)nc1 1121085800 BXAOJIUKQXVPJN-CYBMUJFWSA-N 305.338 -0.679 30 20 DBED CO[C@H](CC(C)C)C(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1 1122487709 MLZNMQDFHYDQBD-VXGBXAGGSA-N 321.381 -0.280 30 20 DBED N#CCSCC(=O)NCCNCC(=O)Nc1nncs1 1123792281 QTZRZVRFBNMKBW-UHFFFAOYSA-N 314.396 -0.561 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)c1cncs1 1124096097 DLFMYOVQFACLPH-VIFPVBQESA-N 318.362 -0.228 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)c1ccnn1C 1124540196 VFOUPDHGQZIJRQ-UHFFFAOYSA-N 306.370 -0.498 30 20 DBED CN(C[C@H](O)CNc1nccnc1C#N)C(=O)c1csnn1 1124629155 ZTFJAQIYMNGSKJ-MRVPVSSYSA-N 319.350 -0.255 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)CC(C)(C)O 1126467953 OBDSYSJKTJDMDP-SNVBAGLBSA-N 314.386 -0.747 30 20 DBED C#CCO[C@H](C)C(=O)NCCNCC(=O)N(CC=C)CC=C 1127051348 GQYVWEGUMDPLEN-CQSZACIVSA-N 307.394 -0.069 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@@H]1C[C@H]2CCCCN2C1 1127255681 KQTISTTVGNIDRL-ZIAGYGMSSA-N 308.426 -0.131 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1onc2c1CCCC2 1131307707 AKYDNPDBSGWQGC-UHFFFAOYSA-N 304.350 -0.378 30 20 DBED CCOCCN1CCNC(=O)CCN(C(=O)[C@H](C)C#N)CC1 1131339561 HXEMNCHLSGTLKW-CYBMUJFWSA-N 310.398 -0.167 30 20 DBED C[C@H]1CN(C(=O)COCCN(C)C)C[C@]2(CCN(CC#N)C2)O1 1131693537 QHBBULKQHGNWNH-GOEBONIOSA-N 324.425 -0.220 30 20 DBED C#CCOCCC(=O)N[C@H](C)C[C@H](C)NCc1nnn(C)n1 1134352892 UKCXGTCKPVWCFD-NWDGAFQWSA-N 308.386 -0.377 30 20 DBED COCC#CCN[C@H](C)C[C@@H](C)NC(=O)CN1C(=O)CNC1=O 1136127595 RSLOLWGBILRXHS-VXGBXAGGSA-N 324.381 -0.939 30 20 DBED C#CCNC(=O)CNCCNC(=O)C1CCN(C(C)C)CC1 1146384874 UWROQUKKWRIJGO-UHFFFAOYSA-N 308.426 -0.438 30 20 DBED CCNC(=O)NC(=O)CN1CCC2(C1)CN(C(=O)[C@H](C)C#N)C2 1147224765 BDVAYDNDIWJREZ-LLVKDONJSA-N 321.381 -0.474 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)COCC=C)C2 1147256016 HOBFKISGTAABPZ-UHFFFAOYSA-N 305.378 -0.527 30 20 DBED C#Cc1ccc(C(=O)NCCNC[C@@H]2CCS(=O)(=O)C2)cn1 1148382744 CYWGYGMQLOLNOI-LBPRGKRZSA-N 321.402 -0.183 30 20 DBED N#CCN1CCCO[C@@H](CNC(=O)CCCn2ccnn2)C1 1149835694 NNVLCGMIQSWCFC-ZDUSSCGKSA-N 306.370 -0.211 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)CNC(=O)C(C)(C)C)C1=O 1150844716 NXLKSXOWBXODBP-LBPRGKRZSA-N 324.425 -0.359 30 20 DBED CCN(CC#CCOC)[C@H](C)CNC(=O)C1CN(C(C)=O)C1 1153001084 NKCWNKSJHRAMPW-CYBMUJFWSA-N 309.410 -0.059 30 20 DBED C=CCO[C@@H](C)C(=O)NCCNCC(=O)N1CCO[C@H](C)C1 1153148709 JVXGITFFYGAMTD-OLZOCXBDSA-N 313.398 -0.469 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)NCCCNC(=O)COC 1154002711 QXYDPCILJFZLKU-SNVBAGLBSA-N 300.359 -0.871 30 20 DBED C#CCN(CC)[C@H](C)CNC(=O)Cn1ncn2nccc2c1=O 1155573413 WXUMBORZBCHCAD-GFCCVEGCSA-N 316.365 -0.649 30 20 DBED C=CCOCC(=O)NCCCNCC(=O)Nc1nncs1 1155707376 JDCLGCXZYUVOQZ-UHFFFAOYSA-N 313.383 -0.225 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)c1cc2n(n1)CCO2 1160024188 FKLIECQNTACWEP-NSHDSACASA-N 319.365 -0.877 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)c1ccnc(OC)n1 1162317157 YDAGCVAIHHXQDI-NSHDSACASA-N 321.381 -0.115 30 20 DBED C=CCNC(=O)CNCC1(CCNC(=O)[C@@H]2COC(=O)N2)CC1 1164387885 ZIXSUEIYQGLFNQ-NSHDSACASA-N 324.381 -0.727 30 20 DBED COCC#CCNCC1(CCNC(=O)C[C@@H](C)NC(N)=O)CC1 1164523935 JZYADBIYULSJLT-CYBMUJFWSA-N 324.425 -0.041 30 20 DBED CC#CCCCC(=O)N1CC[C@@H]2OCCN(CC(N)=O)[C@H]2C1 1177080133 JWHLMZQDDFNEQJ-KBPBESRZSA-N 307.394 -0.033 30 20 DBED C#CCNC(=O)CC(=O)NCCCCCCNCc1cnon1 1178262993 WDZREXDWUXYTBM-UHFFFAOYSA-N 321.381 -0.025 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC[C@H](NCc2nnnn2C)[C@@H]1C 1178581798 AQBYITLTDVEUJJ-MJVIPROJSA-N 308.386 -0.384 30 20 DBED CC[C@@H](C(=O)N1CC[C@H](NCC(=O)NCC#N)[C@@H]1C)N(C)C 1179549895 LMKFSWNPNUKNSR-AVGNSLFASA-N 309.414 -0.455 30 20 DBED N#CCNC(=O)CNCCCCCCNC(=O)Cc1nc[nH]n1 1180026544 MWXSBOXHNMDWNN-UHFFFAOYSA-N 321.385 -0.747 30 20 DBED C[C@@H]1CN(C(=O)c2ccc(=O)n(C)n2)C[C@@]1(C)CNCC#N 1183337540 MYYGYPZWEOINQY-IAQYHMDHSA-N 303.366 -0.008 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)CCc2cccnc2)C1 1184000294 KWKJBTICPNBEKG-OAHLLOKOSA-N 314.389 -0.046 30 20 DBED C#CCNC(=O)CNC[C@H]1CCN(C(=O)c2nc[nH]n2)C[C@H]1C 1185326454 GPRIIQMEXZFQOK-VXGBXAGGSA-N 318.381 -0.758 30 20 DBED C[C@@H]1CN(C(=O)CN2CC(=O)N(C)C2=O)CC[C@@H]1CNCC#N 1185492846 RWFINKMVBAYDDF-VXGBXAGGSA-N 321.381 -0.522 30 20 DBED C[C@H](NC(N)=O)C(=O)N1C[C@H](CNCC#N)C2(CCOCC2)C1 1186349509 INNYEXJBYNSWKU-RYUDHWBXSA-N 323.397 -0.588 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)CC(=O)NC)CC12CCOCC2 1186357185 SQFDVIXJJYLLOU-CQSZACIVSA-N 321.421 -0.009 30 20 DBED C[C@H](C(=O)NC(N)=O)N(C)[C@H]1CCN(C(=O)C#CC2CC2)C1 1190076783 VQABOZIOBJZCHO-PWSUYJOCSA-N 306.366 -0.484 30 20 DBED C=CCCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2nncn2C)C[C@H]1O 1191598361 LOIZSYNMWPPSKX-YNEHKIRRSA-N 323.397 -0.542 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(Cc2cc(C)ncn2)C[C@H]1O 1191778324 WKXJBJUULYBXTB-ZIAGYGMSSA-N 306.366 -0.351 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CN(Cc2nc(C3CC3)no2)C[C@H]1O 1191864195 LTIZPBIUPBOMMA-FBIMIBRVSA-N 305.338 -0.232 30 20 DBED C=CCOCCCC(=O)N[C@@H]1CN(Cc2nncn2C)C[C@H]1O 1192054711 YYTPPUQSIHVUJH-CHWSQXEVSA-N 323.397 -0.541 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 1192454294 DWGBXNFZSYIFHW-TUVASFSCSA-N 319.405 -0.164 30 20 DBED C=CCN(C)[C@@H]1CCN(C(=O)CN(C)S(=O)(=O)CC)C1 1193205316 RIJUJGDJFZHFJZ-GFCCVEGCSA-N 303.428 -0.013 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H](C)CC(F)F)C1 1194788662 IONWKVHSQALGPU-GMTAPVOTSA-N 319.352 -0.259 30 20 DBED C#CCCNC[C@H]1CN(C(=O)c2nccnc2N)CCCO1 1200143701 FWSUJKOLUJAMSP-LBPRGKRZSA-N 303.366 -0.097 30 20 DBED Cc1cc(C(=O)N2CCC(NCC(=O)NCC#N)CC2)cnn1 1200246587 GCAVPNWKQXXDOB-UHFFFAOYSA-N 316.365 -0.381 30 20 DBED C=CCNC[C@H]1CN(C(=O)Cn2nc(C)ccc2=O)CCCO1 1201909554 YPJICWZKYFQMDC-AWEZNQCLSA-N 320.393 -0.055 30 20 DBED C=CCNC(=O)[C@@H](C)NC1CCN(C(=O)Cc2nc[nH]n2)CC1 1203278234 XNZFTTQODOENBP-LLVKDONJSA-N 320.397 -0.382 30 20 DBED C#CCCN[C@H]1C[C@H](NC(=O)CN2CC(=O)NC2=O)C12CCC2 1203507458 QZZQSHPSBNRURO-RYUDHWBXSA-N 318.377 -0.422 30 20 DBED COCC#CCN[C@H]1C[C@@H](NC(=O)CCNC(N)=O)C12CCC2 1203711335 JGJGUJZBVPKVCZ-QWHCGFSZSA-N 322.409 -0.288 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1206914528 IQXQTEXAHJOWIF-LALPHHSUSA-N 308.382 -0.610 30 20 DBED C=CCOCC(=O)N1CCC[C@H](NCc2nc(=O)n(C)[nH]2)C1 1207683822 IARYLBKJFUTNAP-NSHDSACASA-N 309.370 -0.608 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)[C@@H](OC)C(C)C)[C@H](C)C1 1208504717 RYBIJPJDBRSLHU-NFAWXSAZSA-N 309.410 -0.157 30 20 DBED COCC(=O)N[C@H](C(=O)N1CCC[C@H](NCC#N)C1)C(C)C 1210003048 ZYMGLKLUAHTTLO-JSGCOSHPSA-N 310.398 -0.122 30 20 DBED C#CCCN[C@H]1CCCN(C(=O)[C@H]2CCN(C)S2(=O)=O)C1 1210060776 IFVUTNPSYWKBPM-QWHCGFSZSA-N 313.423 -0.376 30 20 DBED C=CCOCCN1C[C@@H](NC(=O)CN2C(=O)CNC2=O)[C@H](C)C1 1210857920 AMYXKHZNOZWUPK-VXGBXAGGSA-N 324.381 -0.823 30 20 DBED C=CCOCCN1C[C@@H](NC(=O)[C@@H](C)NC(C)=O)[C@H](OC)C1 1211810283 MYJNRZZOFUVJNF-MRVWCRGKSA-N 313.398 -0.471 30 20 DBED C#CCN1C[C@@H](NC(=O)CCNC(=O)[C@H]2CCCO2)[C@H](OC)C1 1213985759 LQHHUXCTMSRCRE-MGPQQGTHSA-N 323.393 -0.880 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)CCn2cncn2)C[C@H]1C 1214149474 LBDLYVRKHGUDBW-CHWSQXEVSA-N 320.397 -0.593 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)c2cnn(C)c2N)C[C@H]1C 1214477929 KSXXYOBPYHXSLT-ZYHUDNBSSA-N 320.397 -0.645 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)COCC=C)C1 1219366115 RNMUGISNHHNLEH-XQQFMLRXSA-N 311.382 -0.959 30 20 DBED C#CCCCCC(=O)N[C@@H]1CN(Cc2nnnn2C)C[C@@H]1O 1219482016 HRWBZLRKOADJHZ-NEPJUHHUSA-N 306.370 -0.935 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2cc(OC)no2)C[C@@H]1O 1219605173 KZAWEHRARNFMIN-UHTWSYAYSA-N 323.349 -0.617 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)[C@H](Cn2cccn2)N(C)C)C1 1219800324 LPWVEGIUQKBCAH-ILXRZTDVSA-N 321.425 -0.449 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)CCc2cnn(C)n2)C1 1220374135 TWXSWOLBWHHHNG-KGLIPLIRSA-N 323.397 -0.888 30 20 DBED C=CCCCN1C[C@H](O)[C@H](NC(=O)CC[C@@H]2NC(=O)NC2=O)C1 1220933555 CWDPJPFICGPZMZ-TUAOUCFPSA-N 324.381 -0.898 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)CCNC(=O)[C@H]2CCCO2)C1 1221173930 FIYBUMPHMSPPCM-FRRDWIJNSA-N 311.382 -0.981 30 20 DBED CC#CCN1CCC(CNC(=O)C[C@@H]2NC(=O)NC2=O)CC1 1223494828 BXFYNNWBOYAANX-LBPRGKRZSA-N 306.366 -0.564 30 20 DBED CC#CCN[C@@H]1CCCC[C@H]1NC(=O)CNS(=O)(=O)CC 1226579979 PKDDJYPVZWPLKS-CHWSQXEVSA-N 315.439 -0.034 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)[C@@H]2CCOC[C@H]2C)CC1 1229058255 ICBUJHGGLHWPTC-UKRRQHHQSA-N 321.421 -0.011 30 20 DBED C=CCNC(=O)[C@H](C)N1CCC(NC(=O)[C@H]2C[C@H]2C(N)=O)CC1 1229214660 JFGWIVUMPYSFKT-UHTWSYAYSA-N 322.409 -0.621 30 20 DBED CN(C[C@@H]1CCN1[C@H]1CCC(=O)NC1=O)C(=O)CSCC#N 1230814346 BSLXXNXCODUCDV-QWRGUYRKSA-N 324.406 -0.419 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@@H]1CN(C)C(=O)CC(=O)NCC 1233837074 LSRKVPFUAHSNES-CHWSQXEVSA-N 322.409 -0.817 30 20 DBED C#CCOCCNC(=O)C(=O)N1CC[C@H](c2nccn2C)C1 1260309112 DQUCQILKMPGBDX-LBPRGKRZSA-N 304.350 -0.498 30 20 DBED N#Cc1cc(=O)n(CC(=O)NCCCN2CCCC2=O)cn1 1261480977 GWZIBCVNZHIQQN-UHFFFAOYSA-N 303.322 -0.756 30 20 DBED C[C@@H]1CN(CC(=O)NCCC#N)CC[C@@H]1N1CCN(C)CC1 1319855304 BPRCRJCTVXFGHH-CABCVRRESA-N 307.442 -0.026 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N1CCC[C@H](CC(N)=O)C1 1320868122 RXKUUVJBOFKDFH-LLVKDONJSA-N 317.411 -0.116 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1C[C@H](C)O[C@H](COC)C1 1323528474 QLTRTQOJUXZAIW-TUAOUCFPSA-N 300.355 -0.434 30 20 DBED C=CCn1cc(CNC(=O)NC[C@@H]2CCCS2(=O)=O)nn1 1325933971 OWMVWNCTVRPAGW-NSHDSACASA-N 313.383 -0.160 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CCN(CC)CC2)nn1 1326250752 PYLFELGXTGMWKV-UHFFFAOYSA-N 306.370 -0.756 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2C[C@@H](C)OC[C@H]2C)nn1 1332045207 TXDSYMZYNBTICD-GHMZBOCLSA-N 307.354 -0.284 30 20 DBED N#CCNC(=O)CNC(=O)C1CCC(N2CCOCC2)CC1 1332083270 SYZNJBKSTZNYCO-UHFFFAOYSA-N 308.382 -0.367 30 20 DBED C#CCOc1ccccc1CNC(=O)C(=O)NCC1(N)CC1 1335206297 KAAJUKJHRBZSSJ-UHFFFAOYSA-N 301.346 -0.078 30 20 DBED CC(=O)N1C[C@H]2CN(C(=O)C(=O)N3CCC[C@@H](C#N)C3)C[C@H]2C1 1338171813 HXPKKMKRFSRMNU-MELADBBJSA-N 318.377 -0.315 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CCC2(CC1)COC(=O)N2 1343080489 NYDCRZVUKUNMNG-SNVBAGLBSA-N 311.338 -0.595 30 20 DBED CCn1nc(C)c(CNC(=O)C(=O)N2CC[C@@](F)(C#N)C2)n1 1345710170 FLTJHBVWHGDIDY-CYBMUJFWSA-N 308.317 -0.313 30 20 DBED Cc1nnc(NC(=O)CCn2cc(C#N)c(O)nc2=O)n1C 1362465145 VHMOJDFQKDIVHE-UHFFFAOYSA-N 303.282 -0.714 30 20 DBED N#Cc1cn(CC(=O)N[C@H]2CCO[C@H](C3CC3)C2)c(=O)nc1O 1362860568 RJIWXCILSRUFLC-RYUDHWBXSA-N 318.333 -0.106 30 20 DBED N#Cc1ccc(S(=O)(=O)CCN2C[C@@H](O)[C@@H](CO)C2)nc1 1364417207 MMVWGQQYTGJQFT-VXGBXAGGSA-N 311.363 -0.988 30 20 DBED CCCN(CCNC(=O)[C@H](C)C#N)C(=O)c1cc(=O)n(C)cn1 1374167686 NCSFFYXTOYPBCW-LLVKDONJSA-N 319.365 -0.092 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CN(C)C(=O)C1(C)CCOCC1 1384250428 ZVIMTSGETXWFNU-NWDGAFQWSA-N 311.382 -0.102 30 20 DBED CCCN(CCNC(=O)CCn1cnnn1)C(=O)[C@H](C)C#N 1387448958 VVJANPBHLKMYLO-LLVKDONJSA-N 307.358 -0.422 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2CCCN2C(N)=O)C1 1396539729 MGVGZTBBKRSXMD-WYUUTHIRSA-N 321.381 -0.300 30 20 DBED C[C@@H](CNC(=O)CS(C)(=O)=O)NC(=O)c1cc(C#N)c[nH]1 1397394242 VBJQWUURAFENOW-QMMMGPOBSA-N 312.351 -0.835 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H](C)CNC(=O)c1nc2ncccn2n1 1404475236 ZZGBWVQQWDMQGN-NXEZZACHSA-N 315.337 -0.139 30 20 DBED CC(=O)N[C@@H](C)C(=O)NC[C@@H](O)CNCc1cccc(C#N)c1 1406184620 CQMWJNJJLGFCKX-NHYWBVRUSA-N 318.377 -0.350 30 20 DBED C[C@@H]1C[C@H](NC(=O)Cn2cc(C#N)c(O)nc2=O)CN1C1CC1 1411898852 PGZZFGVZBQEBNQ-KOLCDFICSA-N 317.349 -0.438 30 20 DBED C[C@H](CN(C)C(=O)c1cnn[nH]1)NC(=O)c1c[nH]c(C#N)c1 1412582253 BIQSLHFOGALQQH-MRVPVSSYSA-N 301.310 -0.105 30 20 DBED N#Cc1cn(CCC(=O)N2CCC[C@@H]2CCO)c(=O)nc1O 1413053315 ZJBFKSSAXFTSMV-LLVKDONJSA-N 306.322 -0.416 30 20 DBED CCN(CCC#N)C(=O)CN1CC[C@@H](NC(=O)c2cc[nH]n2)C1 1419146448 UICQATNWFYODCB-GFCCVEGCSA-N 318.381 -0.024 30 20 DBED C=C(Cl)CN1CC(O)(CNC(=O)CN(C)C(=O)COC)C1 1423828627 ZKRONGFCIHPDNN-UHFFFAOYSA-N 319.789 -0.993 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(CCNC(=O)[C@H]2CCN(C)C2)CC1 1429781727 KQGSLSPTOLSIRC-KBPBESRZSA-N 321.425 -0.642 30 20 DBED CS(=O)(=O)CC(=O)NC1(CNC(=O)c2cc(C#N)c[nH]2)CC1 1433866906 NWEFMLKTCRUCEF-UHFFFAOYSA-N 324.362 -0.690 30 20 DBED CC(=O)N(C)CC(=O)NC[C@@H](C)N(C)C(=O)c1ccc(C#N)[nH]1 1442672645 VPJNOSDCDJBAFZ-SNVBAGLBSA-N 319.365 -0.059 30 20 DBED CCCc1n[nH]cc1C(=O)NC[C@@H](O)CNC(=O)[C@H](C)C#N 1458025810 WGBYCXAJRUKAMH-ZJUUUORDSA-N 307.354 -0.271 30 20 DBED Cn1c(=O)[nH]c(N2CCC3(CC2)C[C@H](O)CCO3)c(C#N)c1=O 1458634205 SOWYRMSOTVQCDJ-SNVBAGLBSA-N 320.349 -0.544 30 20 DBED N#CC1(C(=O)NCCN2CCS(=O)(=O)CC2)CCOCC1 1464812404 PIUOMXFOPGQHTF-UHFFFAOYSA-N 315.395 -0.847 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)Cc2cn(C)nc2C)C1 1479954823 BPJYLFPKIPZGEI-CQSZACIVSA-N 317.393 -0.789 30 20 DBED COc1ccccc1CC(=O)NC[C@H](O)CNC(=O)[C@H](C)C#N 1533320189 JKRAYMCOOJWAOM-YPMHNXCESA-N 319.361 -0.009 30 20 DBED C[C@@H](C(=O)N(C)c1cc(-c2nn[nH]n2)ccn1)n1cnc(C#N)n1 1570922948 QDSSOUGYOVMYOO-QMMMGPOBSA-N 324.308 -0.051 30 20 DBED C#CCN(C)c1nnc([C@H]2C[C@@H](N)C2)n1C[C@]1(O)CCOC1 1574614646 HIZPYMXAJUIYFG-TYNCELHUSA-N 305.382 -0.296 30 20 DBED CC[C@@H](CNC(=O)[C@H](C)C#N)N=c1cc[nH]c(-c2nn[nH]n2)n1 1576765295 AODXWNQNRMJJPN-BDAKNGLRSA-N 315.341 -0.455 30 20 DBED CN(C)C[C@](C)(C#N)NC(=O)c1cn(C2CCNCC2)nn1 1578413888 XMQRSWYORVEQFH-AWEZNQCLSA-N 305.386 -0.224 30 20 DBED COCc1n[nH]c(CNC(=O)C2CC3(CNC[C@H]3C#N)C2)n1 1579103487 ALSSIMXHBOESSW-OPASDULOSA-N 304.354 -0.293 30 20 DBED C=CCCC(=O)NC[C@@H](CO)Nc1nccnc1-c1nn[nH]n1 1588571194 VAAQVSZOYJXUOM-VIFPVBQESA-N 318.341 -0.488 30 20 DBED C=C(CCC(=O)O)C(=O)N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1588615368 RPSRGLHFSMUPQL-SNVBAGLBSA-N 309.322 -0.098 30 20 DBED C=C(CCC(=O)O)C(=O)NC[C@]12COCCN1C(=O)COC2 1588624647 RCNYGBLUHRRPKC-CQSZACIVSA-N 312.322 -0.849 30 20 DBED COC(=O)C12CC(CN1c1cnc(-c3nn[nH]n3)c(C#N)n1)C2 1591247035 XWVWENFCPFNLBH-UHFFFAOYSA-N 312.293 -0.330 30 20 DBED N#C[C@]12CN(C(=O)[C@H]3CC[C@H]3C(=O)O)C[C@H]1CS(=O)(=O)C2 1594611969 PWPHSQPXJTVVDV-QISWUMQESA-N 312.347 -0.506 30 20 DBED N#Cc1cncc(CNC(=O)[C@@H]2CCCN(CC(=O)O)C2=O)c1 1594632824 DIWOJTLQBWVNIL-LBPRGKRZSA-N 316.317 -0.107 30 20 DBED COC[C@H](CO)NS(=O)(=O)c1ccc(C#N)cc1C(=O)O 1599164421 JXSJQKHEVGCQME-VIFPVBQESA-N 314.319 -0.458 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@H](C)/C=C\C(=O)O 1599235940 YJHHIFLQGLHFGB-UMCURTJPSA-N 305.356 -0.288 30 20 DBED N#C[C@H]1CN(S(=O)(=O)N[C@H]2CC[C@@H](CC(=O)O)C2)CCO1 1601063134 OLCPPXHEJJSZDW-VWYCJHECSA-N 317.367 -0.311 30 20 DBED N#Cc1cnn2cc(CN3C[C@@H](C(=O)O)C[C@@H](O)C3)cnc12 1601131410 ZVHJRLAULSEQJM-CMPLNLGQSA-N 301.306 -0.132 30 20 DBED O=C(O)[C@H]1C[C@@H]1C(=O)NCCN(CCO)C(=O)C#CC1CC1 1601785422 XXQWPLSMMPTOBM-RYUDHWBXSA-N 308.334 -0.942 30 20 DBED C#CCNC(=O)C1CCN(C(=O)c2cc(C(=O)O)on2)CC1 1602719796 FGZVHYXOQNDLNG-UHFFFAOYSA-N 305.290 -0.026 30 20 DBED N#Cc1c(-c2nn[nH]n2)nc(N)n1CCOC1CCOCC1 1606355666 KAWPQHFALKYGHU-UHFFFAOYSA-N 304.314 -0.287 30 20 DBED N#Cc1cccc(C(=O)N2CCS(=O)(=O)C[C@@H]2CC(=O)O)n1 1608215273 OIGFWWOYIBEDIW-JTQLQIEISA-N 323.330 -0.333 30 20 DBED Cc1onc(CC(=O)N2CCN(C)C[C@H](C(=O)O)C2)c1C#N 1610589012 WQZBUBMCQYTINF-JTQLQIEISA-N 306.322 -0.128 30 20 DBED COC(=O)c1ccc(S(=O)(=O)N2CC(O)(CC#N)C2)cn1 1647171119 ONKHWYJJODBAMP-UHFFFAOYSA-N 311.319 -0.483 30 20 DBED C#CCNC(=O)CN[C@@H](C)CNC(=O)CCc1cnn(C)c1 1752921076 LLPIBZKEBCABJM-LBPRGKRZSA-N 305.382 -0.804 30 20 DBED C=C(C)CNC[C@@H]1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)C1 1752956964 XBQZAQDMVSFTPU-LBPRGKRZSA-N 320.393 -0.288 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)CCNCCNC(=O)C1CC1 1753198592 GCSQDQJKQHCWIU-HNNXBMFYSA-N 320.437 -0.342 30 20 DBED CCN(C(=O)c1ccon1)[C@@H]1CCN(CC(=O)NCC#N)C1 1753452972 IWENLBZJAVNSBY-LLVKDONJSA-N 305.338 -0.149 30 20 DBED N#CCN1CCO[C@H](CNC(=O)COCc2cccnc2)C1 1753656683 QXCJBOALFXFIEW-CQSZACIVSA-N 304.350 -0.061 30 20 DBED C#CCNC(=O)CN[C@@H](CNC(=O)c1cc(C)[nH]n1)C(C)C 1753824187 HLSWUNXWNBVCEO-ZDUSSCGKSA-N 305.382 -0.188 30 20 DBED O=C(CC#Cc1ccccc1)NC[C@@H](O)CN[C@H]1CCNC1=O 1753937536 PEGMTQFUUJQUHA-GJZGRUSLSA-N 315.373 -0.617 30 20 DBED C#CCO[C@H](C)C(=O)N1CCN([C@H]2CCN(CCCO)C2)CC1 1754663203 OBRWPNJUZWZTEB-CVEARBPZSA-N 323.437 -0.374 30 20 DBED C#CCNC(=O)CN[C@H](C)[C@H]1CCN(C(=O)c2ccnnc2)C1 1754798672 FWGORYVBZBQRSK-OCCSQVGLSA-N 315.377 -0.334 30 20 DBED Cn1cc(CCC(=O)N[C@@]2(CO)CCCN(CC#N)C2)nn1 1754863530 XBLWFENEDCWRHG-AWEZNQCLSA-N 306.370 -0.786 30 20 DBED C=CCNC(=O)[C@@H](C)NCCN(CCO)C(=O)C#CC(C)C 1754882293 YQQHKQPAQJXOHQ-CQSZACIVSA-N 309.410 -0.253 30 20 DBED C#CCCN1CCOC[C@@H]1CNC(=O)[C@@]1(C)CCNC(=O)C1 1754968275 ACPQCDPFGOUNHW-BBRMVZONSA-N 307.394 -0.257 30 20 DBED C=CCNC(=O)[C@H](C)N1CC2(CN(C(=O)C(F)F)CCO2)C1 1755048424 YBKJPDSPPVGOKM-JTQLQIEISA-N 317.336 -0.145 30 20 DBED C[C@H](O)CN[C@@]1(CO)CCCN(C(=O)CSCC#N)C1 1755080593 IXHJHINMMSWNDW-AAEUAGOBSA-N 301.412 -0.433 30 20 DBED C#CCCCC(=O)N1CCC(O)(CNCC(=O)N(C)C)CC1 1755149053 SHLUAOPIDRYSPF-UHFFFAOYSA-N 309.410 -0.179 30 20 DBED C#CCCNCC1(O)CCN(C(=O)CO[C@H]2CCOC2)CC1 1755154435 PAEYKTGRVYKPKJ-AWEZNQCLSA-N 310.394 -0.242 30 20 DBED C#CCOCCC(=O)NC1(CO)CCN(Cc2cnon2)CC1 1755177345 MQLSTJIKMPFXTA-UHFFFAOYSA-N 322.365 -0.447 30 20 DBED N#CCN1CC(CCO)(NC(=O)Cn2cc(C3CC3)nn2)C1 1755332885 PWJCKNXBTUYGHI-UHFFFAOYSA-N 304.354 -0.768 30 20 DBED C=C(C)CN1CC([C@H](C)NC(=O)CCn2cc[nH]c(=O)c2=O)C1 1755387904 SYGPHZAUBDBQCK-LBPRGKRZSA-N 320.393 -0.061 30 20 DBED C=CCOCC(=O)N1CCO[C@@H]([C@@H](C)NCC(=O)NCC#N)C1 1755438662 KJTMSYBSTWXGOF-CHWSQXEVSA-N 324.381 -0.966 30 20 DBED C#CCCCC(=O)NC[C@@H](CO)NC(=O)Cc1cc(C)nn1C 1756515783 PKFYDXJXNDWYTK-ZDUSSCGKSA-N 320.393 -0.332 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@H](CO)NC(=O)c1cc(C)nn1C 1756516000 SSBMJQZTVDAWGA-NHYWBVRUSA-N 324.381 -0.737 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H](CO)NC(=O)c1ccnc(C)c1 1756521153 KPZQNLQGEICEFI-GXTWGEPZSA-N 319.361 -0.365 30 20 DBED CC(C)C#CC(=O)N(C)C[C@H](O)CN(C)C(=O)c1cn(C)cn1 1756686228 RPIAEDFUGQUDEG-ZDUSSCGKSA-N 320.393 -0.029 30 20 DBED CO[C@H](CS(=O)(=O)N[C@@H](CCC#N)C(=O)O)[C@@H]1CCOC1 1777151767 KTHSZAYVCCAQAR-OUAUKWLOSA-N 320.367 -0.286 30 20 DBED C[C@@H](O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CC#N)C2 1781987806 UKTXANXYPGQJRT-LALPHHSUSA-N 309.366 -0.205 30 20 DBED C#CCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1=NNC(=O)C1)C2 1804181927 OAPNCYSIKYDIBD-ZSBIGDGJSA-N 316.361 -0.086 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)COCCO)C2 1841601240 MWAMWAQTEUZRQM-ZDUSSCGKSA-N 324.377 -0.763 30 20 DBED Cn1cccc1C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1842364152 CSPCCWBPLHLQNO-UHFFFAOYSA-N 315.329 -0.070 30 20 DBED C#CCN1CCC(C(=O)NCCCNS(=O)(=O)CC)CC1 51446110 GHNMCHCCVKKSPG-UHFFFAOYSA-N 315.439 -0.223 30 20 DBED C#CC[C@@H](C)OC(=O)CCc1nc2c([nH]1)c(=O)[nH]c(=O)n2C 83782260 JPRGEIMEMJEKRD-MRVPVSSYSA-N 304.306 -0.163 30 20 DBED C=CCN1CCC(NC(=O)CN2CCCS2(=O)=O)CC1 171718139 DKKAHVWVAVZWRZ-UHFFFAOYSA-N 301.412 -0.212 30 20 DBED N#CCC1(O)CN(C(=O)CN2CCN(c3ccccn3)CC2)C1 186848091 QVDHNMCUFFDKHH-UHFFFAOYSA-N 315.377 -0.309 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1CCC[C@@H](C(=O)O)C1 221469708 YLAARAVJEJRGJN-LLVKDONJSA-N 319.383 -0.110 30 20 DBED C/N=C(/NCc1cnc(N(C)C)n1C)N1CCO[C@H](COC)C1 261997078 SYTPNQLGDXATGH-ZDUSSCGKSA-N 324.429 -0.091 30 20 DBED N#Cc1ccc(S(=O)(=O)NCCCN2C(=O)CCC2=O)cn1 264415588 VIRJTOQFJDTJHD-UHFFFAOYSA-N 322.346 -0.229 30 20 DBED C[C@@H]1CN(C)CC[C@@H]1N(C)c1c(C#N)c(=O)n(C)c(=O)n1C 267550890 DGRZSFHFIDTAHL-PWSUYJOCSA-N 305.382 -0.268 30 20 DBED N#Cc1cc(NC(=O)C(=O)N2C[C@H](O)[C@@H](O)C2)ccc1Cl 277556771 OULUHIJQPXKVQU-QWRGUYRKSA-N 309.709 -0.286 30 20 DBED C#CCN(CC#N)CCS(=O)(=O)CCN(CC#C)CC#N 281533811 YXLWJHXWJBSFSB-UHFFFAOYSA-N 306.391 -0.681 30 20 DBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCCN1CCNC(=O)C1 281686795 BGEFWQJXOABVPS-JSGCOSHPSA-N 310.398 -0.301 30 20 DBED C[C@@]12CCC(=O)N1[C@H](C(=O)NCCn1cnc(C#N)n1)CS2 286966505 SFQHACRYYLEZHA-TVQRCGJNSA-N 320.378 -0.280 30 20 DBED C[C@@H]1CN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC[S@@](=O)C1 330337876 UONLRNRWTQTBFQ-AOUSDQRYSA-N 310.379 -0.840 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)NC[C@@H](C)N1CCN(C)CC1 330424979 UWVCVHCQRRIINC-QWHCGFSZSA-N 317.459 -0.309 30 20 DBED CCNC(=O)CC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 330766003 KJTFGQZYNYKBMG-LLVKDONJSA-N 316.365 -0.088 30 20 DBED CN(C)C(=O)Cn1nc2n(c1=O)CCN(CCCCC#N)C2 330940180 DKSFSTTVRSTQEZ-UHFFFAOYSA-N 306.370 -0.358 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CCN(C[C@H](C)O)CC1 337154276 MVIGUATUDVWURX-LBPRGKRZSA-N 304.416 -0.535 30 20 DBED COc1ccc(C#N)cc1NC(=O)C(=O)NCCOCCO 347804473 FPCTULIIRTWBTC-UHFFFAOYSA-N 307.306 -0.370 30 20 DBED C=CCNC(=O)CNC(=O)Cn1ncc(=O)c2ccccc21 347893872 OUBHVIXGVZGZFB-UHFFFAOYSA-N 300.318 -0.185 30 20 DBED CC[C@@H](C#N)NS(=O)(=O)c1ccccc1S(N)(=O)=O 349457996 SUQUPJZNCJXDKH-QMMMGPOBSA-N 303.365 -0.086 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)NCCC1(O)CCOCC1 352303115 PYPRCRPGHFJXSH-LLVKDONJSA-N 305.400 -0.156 30 20 DBED CC(C)NC(=O)CN(C)CC(=O)Nc1ccn(CCC#N)n1 353814179 LKDLGNACFKCBOB-UHFFFAOYSA-N 306.370 0.192 30 20 DBED C=CCNC(=O)CNC(=O)N1CCN(c2cnn(C)c2)C(=O)C1 367700456 SYYYGLURTLLIAK-UHFFFAOYSA-N 320.353 -0.920 30 20 DBED C#CCN1CCN(C(=O)CN2CCCN(CCC)C(=O)C2)CC1 490742103 VEKXMOPZYCKFBY-UHFFFAOYSA-N 320.437 -0.292 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2cc(COC)on2)CC1 491072119 PVOIEHGOFKTGMJ-UHFFFAOYSA-N 320.349 -0.672 30 20 DBED COCCN1CCN([C@H](C)C(=O)NC2(C#N)CCC2)CC1=O 530336942 RCHMIODWDJAQLG-GFCCVEGCSA-N 308.382 -0.272 30 20 DBED Cc1nc(N2CC[C@@](O)(CC#N)C2)sc1S(N)(=O)=O 591975317 SQQGOLPFRQUUSP-JTQLQIEISA-N 302.381 -0.046 30 20 DBED C=CCN1CC[C@@H](N(C)[C@@H]2CCN(CCC(=O)OC)C2=O)C1=O 595472442 HCQAOLHOIGJGAT-CHWSQXEVSA-N 323.393 -0.131 30 20 DBED CCN(C(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C)[C@@H](C)C#N 598355151 ABGOJYYQPMQDDU-VIFPVBQESA-N 317.349 -0.050 30 20 DBED Cn1nnnc1CNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1 614712422 BPNIPBNRCNWKRY-UHFFFAOYSA-N 323.320 -0.220 30 20 DBED C=CC[C@@H]1CCCN(C(=O)C(=O)N2CCO[C@@H](C(=O)NC)C2)C1 658688400 NBQJLTMQVXRFFR-CHWSQXEVSA-N 323.393 -0.226 30 20 DBED N#CCOC(=O)CCC(=O)N1CCN(c2ncccn2)CC1 767553085 SNPKUWAXLIDBGI-UHFFFAOYSA-N 303.322 -0.028 30 20 DBED CCOC(=O)CON=C(C(=O)N1C[C@@H](C)[C@@H](O)C1)c1cc[nH]n1 772523292 ZMDOXCWLXYFDQP-KOLCDFICSA-N 324.337 -0.467 30 20 DBED C#CCN1CCN(C(=O)CNC(=O)Cc2ccc(O)cc2)CC1 781087282 OOAHIFXWVIVPFD-UHFFFAOYSA-N 315.373 -0.172 30 20 DBED C[C@H](OC(=O)C1(S(C)(=O)=O)CC1)C(=O)N(C)CCC#N 795871936 MCOZOZJECJWAKQ-VIFPVBQESA-N 302.352 -0.133 30 20 DBED C#C[C@@H](NC(=O)C(=O)NCCOc1cccnc1)[C@@H]1CCCO1 804075855 KHCVXNCJYHXZOZ-KGLIPLIRSA-N 317.345 -0.126 30 20 DBED CC(C)(NC(=O)C(F)(F)F)C(=O)NCCn1cnc(C#N)n1 804619718 AJGFZLQKXZUYSJ-UHFFFAOYSA-N 318.259 -0.277 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@H]1CCN(C(=O)CC)C1)[C@@H]1CCCO1 807840885 MUMALKPTRTXLAA-AVGNSLFASA-N 321.377 -0.590 30 20 DBED C#CCCS(=O)(=O)N1CCN(CC(=O)N(CC)CC)CC1 808279630 OXQITRWKEKKEAA-UHFFFAOYSA-N 315.439 -0.175 30 20 DBED C#C[C@H](NC(=O)C(=O)NCC(C)(C)C(=O)NCC)[C@H]1CCCO1 808793585 LWLNGCSYEAXGPE-NWDGAFQWSA-N 323.393 -0.438 30 20 DBED CNC(=O)CNC(=S)NN=C1CCN(CC(C)(C)O)CC1 814221627 HEJVWPMUGGJBFE-UHFFFAOYSA-N 315.443 -0.581 30 20 DBED C#C[C@H](NC(=O)C(=O)N(CCC)[C@H]1CCNC1)[C@H]1CCCO1 842163401 LZSLPGNYCONFPR-MELADBBJSA-N 307.394 -0.116 30 20 DBED C#CCNC(=O)c1ccccc1NC(=O)[C@H]1CCS(=O)(=O)N1 845309216 KCVWVARYSOALKF-GFCCVEGCSA-N 321.358 -0.320 30 20 DBED N#C[C@@H]1CN(C(=O)[C@H]2CCc3nnnn3CC2)CCN1C1CC1 845491089 DFUTWEAQLQSURP-WCQYABFASA-N 315.381 -0.176 30 20 DBED C[C@H](C(=O)N(C)CC(=O)N[C@H]1CCCN(O)C1=O)n1cccn1 848137409 ALWIRCDJYJOXMI-MNOVXSKESA-N 323.353 -0.601 30 20 DBED CCC1(Cn2cc(C(=O)N[C@H]3CCCN(O)C3=O)nn2)COC1 854649017 OMNGEBYUMFTQHZ-JTQLQIEISA-N 323.353 -0.185 30 20 DBED C#C[C@@](C)(CC)NC(=O)CNS(=O)(=O)c1cn(C)c(C)n1 854696491 GMSHIMGCOBOVQK-ZDUSSCGKSA-N 312.395 -0.075 30 20 DBED C=CCN1CC[C@H](N(C)S(=O)(=O)CCn2cccn2)C1=O 867224618 CMDIYTDFGPPVMJ-LBPRGKRZSA-N 312.395 -0.068 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)NCc1cc(C)ncn1 875215174 VVMREPCOKXPDOJ-LBPRGKRZSA-N 304.350 -0.054 30 20 DBED C#CC1(O)CN(C(=O)[C@@H](C)NC(=O)c2n[nH]c3ccccc23)C1 890521329 AOEQEQFGTAHYFW-SNVBAGLBSA-N 312.329 -0.112 30 20 DBED CCC#CCOC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 893838858 RXYOIAYRMZQSPT-NWDGAFQWSA-N 313.375 -0.021 30 20 DBED N#CCN1CCN(C(=O)CN2CCCCS2(=O)=O)CC1 900778013 XSLKPLCDRBBBQS-UHFFFAOYSA-N 300.384 -0.920 30 20 DBED N#CCCNC(=O)CN1CCN(c2ccc(C(N)=O)cn2)CC1 917103600 MESJDFUGUCUJGY-UHFFFAOYSA-N 316.365 -0.668 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CC[C@@H](CCN)C2)C1=O 926357354 ONVJREFFFACGGG-OLZOCXBDSA-N 322.409 -0.571 30 20 DBED CN(C(=O)[C@H]1COCCO1)[C@@H]1CCN(C(=O)C#CC2CC2)C1 937347438 LTMVWVHWIOTETE-ZIAGYGMSSA-N 306.362 -0.126 30 20 DBED C[C@H](C#N)C(=O)N1CCCN(C(=O)CN2CCOCC2=O)CC1 941394609 WCCWCLDWWVGTAY-GFCCVEGCSA-N 322.365 -0.934 30 20 DBED C[C@@H](C#N)C(=O)N1CCCN(C(=O)C[C@H]2CCC(=O)N2)CC1 941589746 BIMQXDDVSONWMV-NWDGAFQWSA-N 306.366 -0.124 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2nc[nH]n2)C1 942450612 QWGJNBUSRLUFGJ-MXWKQRLJSA-N 305.338 -0.274 30 20 DBED C=C(C)C(C)(C)C(=O)N1C[C@H]2C[C@H]1[C@H]2NC(=O)Cn1cnnn1 946650162 NRALRTGUVCYFOV-MDZLAQPJSA-N 318.381 -0.009 30 20 DBED N#CCN1CCC2(CC1)CN(C(=O)[C@H]1CCNC(=O)C1)CCO2 949070752 ZKISLUPSHPFWGS-ZDUSSCGKSA-N 320.393 -0.270 30 20 DBED Cn1oc(C(=O)NC[C@@H]2CCN2C(=O)C#CC2CC2)cc1=O 949613533 VMWBKRCAZJFULV-NSHDSACASA-N 303.318 -0.278 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H]2CNC(=O)c2cnon2)nn1 951766321 RZZIEARQEHLUFF-VIFPVBQESA-N 317.309 -0.508 30 20 DBED C=CCCN1C[C@H](CNC(=O)c2cc3n(n2)CCO3)[C@@H](O)C1 958135660 QNHZLAIAFMLFKX-AAEUAGOBSA-N 306.366 -0.126 30 20 DBED C#CCCN1C[C@H](CNC(=O)c2ccc(C(N)=O)[nH]2)[C@@H](O)C1 958410116 YJWOHMXXDBBYSU-GWCFXTLKSA-N 304.350 -0.841 30 20 DBED Cn1nc2c(c1C(=O)NC[C@H]1CN(CC#N)C[C@@H]1O)CCC2 958588802 YLQTWFPCYIRSJL-GWCFXTLKSA-N 303.366 -0.545 30 20 DBED C#CCN1CCC(C(=O)NC[C@@H]2CN(CCOC)C[C@H]2O)CC1 958724365 OCYYJYSRJHNQBW-HZPDHXFCSA-N 323.437 -0.613 30 20 DBED C#Cc1ccc(C(=O)NC2[C@@H]3CN(CC(=O)N4CCC4)C[C@@H]23)nc1 962327830 ZXNZYMDTNKSXKZ-ZIAGYGMSSA-N 324.384 -0.045 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@H](NC(=O)[C@]2(C)CNC(=O)C2)C1 968992308 NDEUPNWNYUJBBG-GDLVEWKHSA-N 323.393 -0.587 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)C(C)(C)N2CCCC2)C1 969508073 AVSGWBHRDYLTEJ-XQQFMLRXSA-N 322.409 -0.292 30 20 DBED C#Cc1cncc(C(=O)N2C[C@H]3[C@H](NC(=O)c4cnon4)[C@H]3C2)c1 977033175 BCDMVSLFHXYKLI-IMRBUKKESA-N 323.312 -0.054 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]1CN(C)C(=O)c1cnn(C)c1N 977619937 KPFOTIXMEZNACD-NXEZZACHSA-N 304.354 -0.165 30 20 DBED C#CCN1C[C@@H]2C(CNC(=O)[C@@H]3CCCCS3(=O)=O)[C@H]2C1 978250292 OMKCRZXMJJVTCE-MCIONIFRSA-N 310.419 -0.119 30 20 DBED CC(=O)NCc1nc(O)cc(CNC(=O)c2cc(C#N)c[nH]2)n1 984127338 RNPPDBGQNRZPEZ-UHFFFAOYSA-N 314.305 -0.052 30 20 DBED C[C@@H](C(=O)NC1CN(C(=O)c2cc(C#N)c[nH]2)C1)n1cncn1 990915743 RXEXAXZCEDTTKF-VIFPVBQESA-N 313.321 -0.320 30 20 DBED C[C@H](NC(=O)[C@H]1CCS(=O)(=O)N1)C1CCN(CC#N)CC1 997871201 NJNZSPRBEFALCY-CMPLNLGQSA-N 314.411 -0.582 30 20 DBED C#Cc1cncc(C(=O)NC2CN(C(=O)Cc3nc[nH]n3)C2)c1 999316478 XVBSDLOGBOZNOT-UHFFFAOYSA-N 310.317 -0.636 30 20 DBED N#Cc1cc(C(=O)NCC2CN(C(=O)Cc3nc[nH]n3)C2)c[nH]1 1001509751 SSZDDGAIZGTMHM-UHFFFAOYSA-N 313.321 -0.565 30 20 DBED CN1CC[C@H](C(=O)NCC2CN(C(=O)C#CC3CC3)C2)C1=O 1003738383 BAGSDCPSPVPKNP-CYBMUJFWSA-N 303.362 -0.547 30 20 DBED CC#CCN1CCC(N(C)C(=O)CN2CC(=O)N(C)C2=O)CC1 1006284573 PPAUJQUBPGDOCW-UHFFFAOYSA-N 320.393 -0.174 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C(=O)C[C@@H]2CCC(=O)N2C)CC1 1011882690 BYCZANBKMQQDIH-NEPJUHHUSA-N 306.366 -0.172 30 20 DBED C[C@H](C#N)C(=O)N1CCC2(C1)CN(C(=O)[C@H]1COCCN1C)C2 1018954993 RNDZIRITJQEUSP-CHWSQXEVSA-N 320.393 -0.462 30 20 DBED C=C(Cl)CN[C@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 1019378207 OSSWEXFRIYGYCZ-GARJFASQSA-N 301.774 -0.038 30 20 DBED COCC(=O)N1CC[C@H]2OCCN(C(=O)C#CC3CC3)[C@H]2C1 1019832072 AQXVJCZLBREVRI-UONOGXRCSA-N 306.362 -0.126 30 20 DBED C=CCN1CC[C@@H](N[C@H]2C[C@H](NC(=O)c3[nH]nnc3C)C2)C1=O 1020457160 IVASFUXOPQYVCU-IJLUTSLNSA-N 318.381 -0.250 30 20 DBED Cc1nnsc1C(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1O 1023026943 LFJNDIMMLPIRIF-NBEYISGCSA-N 309.351 -0.692 30 20 DBED N#CCN[C@@H]1CC[C@@H]2CN(C(=O)c3nnc(O)nc3O)C[C@H]21 1026304085 JWHPCSLMYZJJQV-IWSPIJDZSA-N 304.310 -0.753 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2CCN(CC(=O)N(C)C)C2)nn1 1028852522 KITKEFIGCYQOCQ-GFCCVEGCSA-N 320.397 -0.396 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)c3ccnc(O)c3)C2)C1=O 1030210199 LNKADVHSLBHJLL-ZDUSSCGKSA-N 316.361 -0.012 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)c3cc(OC)no3)C2)C1=O 1030236947 RZCKGCZZUIFOTP-NSHDSACASA-N 320.349 -0.116 30 20 DBED N#CCN1CC(CNC(=O)c2cnc3c(c2)NC(=O)CO3)C1 1031817751 SBTJGFWSJWOCRG-UHFFFAOYSA-N 301.306 -0.402 30 20 DBED C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)Cn1nc(C)n(C)c1=O 1032759415 MNJCCZKRMKFZEU-STQMWFEESA-N 303.366 -0.801 30 20 DBED CC#CCN1C[C@@H]2C[C@H]1CN2C(=O)CC[C@H]1NC(=O)NC1=O 1032770041 HGMDQGKTVMHXCO-SDDRHHMPSA-N 304.350 -0.717 30 20 DBED C=CCCN1CCO[C@@H](CNC(=O)c2nnc(O)nc2O)C1 1035432014 NAGUUEYVFSJTGH-VIFPVBQESA-N 309.326 -0.711 30 20 DBED C=CCN[C@@H]1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)C[C@H]1C 1036216663 DOUNJCBTOUSRCO-CHWSQXEVSA-N 320.393 -0.061 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)CN3CC(=O)NC3=O)CC[C@@H]21 1036843343 FDFIRIAEJXHIHO-NEPJUHHUSA-N 304.350 -0.906 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@]1(O)CCN(C(=O)CSC)C1 1039720643 CRUQWVUWPVEBAR-FZMZJTMJSA-N 314.407 -0.533 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)CCCCC(N)=O)C1 1040760952 QSHQQYDLYIIGKY-NHYWBVRUSA-N 324.381 -0.729 30 20 DBED C[C@@H]1C[C@@H]1C(=O)NCC1(O)CN(C(=O)c2c[nH]c(C#N)c2)C1 1041286869 VDFPZBHRYDTMJC-SKDRFNHKSA-N 302.334 -0.155 30 20 DBED O=C(C[C@H]1COC(=O)C1)NCC1(O)CN(C(=O)C#CC2CC2)C1 1042555168 SYWYFXAFAOBRKI-GFCCVEGCSA-N 320.345 -0.958 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(O)CN(C(=O)c2nonc2C)C1 1042814938 SAYCVQJTCYKQIS-CYBMUJFWSA-N 324.337 -0.992 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(O)(CNC(=O)c2n[nH]cc2C)C1 1042948509 CNDXXXGGWDTTLN-AWEZNQCLSA-N 322.365 -0.652 30 20 DBED C=CCC(C)(C)C(=O)NCC1(O)CN(C(=O)c2ncn(C)n2)C1 1043060053 OMYXBEVCOPSCAJ-UHFFFAOYSA-N 321.381 -0.280 30 20 DBED COCC(=O)N1CCO[C@@H]2CN(c3nccnc3C#N)C[C@@H]21 1043646053 KIDBBCRXGSVEDR-NWDGAFQWSA-N 303.322 -0.589 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@H](C)CC)C1 1043650154 QLMJNDBMJBNONP-KGLIPLIRSA-N 321.421 -0.180 30 20 DBED C=CCCn1cc(C(=O)N(C)C2CN([C@H](C)C(=O)NC)C2)nn1 1044027031 VROSUYIBXQTMKS-LLVKDONJSA-N 320.397 -0.255 30 20 DBED CCNC(=O)CCCC(=O)NCC1(O)CN(C(=O)[C@H](C)C#N)C1 1044051731 NMENFIRMBRGCPM-LLVKDONJSA-N 324.381 -0.858 30 20 DBED N#Cc1cncc(N2C[C@H](O)[C@H](NC(=O)c3cccnn3)C2)n1 1044132709 IPUDVMPJKPYZAQ-NEPJUHHUSA-N 311.305 -0.882 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)CCc2ccnn2C)C1 1045551889 NMLYMGHYFBLGGS-NSHDSACASA-N 319.365 -0.798 30 20 DBED C#CCN1CCC(C)(NC(=O)[C@H]2CN(C(C)=O)CCO2)CC1 1045632910 HZOACTGDEZMUIF-CQSZACIVSA-N 307.394 -0.162 30 20 DBED C=CCN1CC[C@H](N2CCN(C(=O)[C@@H]3COCCO3)CC2)C1 1046005974 CPDZEFGFIPAKPP-GJZGRUSLSA-N 309.410 -0.194 30 20 DBED C[C@H](O)CN1CC[C@@H](N2CCN(C(=O)C#CC3CC3)CC2)C1 1046028018 VZNCSRWVAIFZSF-GOEBONIOSA-N 305.422 -0.001 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCN(C(=O)CC)C2)C1 1047392536 MWCJHCAHVFVFHC-KKUMJFAQSA-N 321.421 -0.228 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cn(C)c(C)cc2=O)C1 1047418198 HAHVFXJBTVNWCW-ZFWWWQNUSA-N 303.362 -0.556 30 20 DBED CN(C(=O)C(N)=O)[C@H]1CN(Cc2ccc(C#N)s2)C[C@@H]1O 1047507152 QENGLUXZGPVLMO-QWRGUYRKSA-N 308.363 -0.891 30 20 DBED C#CCCN1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1c(O)nnc1O 1049866605 IJCUMOVEFLPSEK-RYUDHWBXSA-N 319.365 -0.222 30 20 DBED Cn1cc(C(=O)N2CCC[C@H]3CN(CC#N)C[C@H]32)n(C)c1=O 1050210395 RAGWMSPLECZAKX-NWDGAFQWSA-N 303.366 -0.216 30 20 DBED C=CCOCC(=O)N1CC[C@@H]([C@@H](C)NC(=O)c2cnn(C)n2)C1 1050298163 SACWAKAFGNQXPL-VXGBXAGGSA-N 321.381 -0.016 30 20 DBED C=C(C)CN1CCOC[C@@H]1CNC(=O)[C@@H]1CCS(=O)(=O)C1 1051011456 JXXGNECRXBQCHY-OLZOCXBDSA-N 316.423 -0.186 30 20 DBED N#Cc1nccc(N2CC[C@@H](NC(=O)c3cc[nH]n3)[C@H](O)C2)n1 1051610310 ACYHTLJAGHSOAM-MWLCHTKSSA-N 313.321 -0.559 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC2(CN(Cc3ccnn3C)C2)C1 1053192870 GZWLTBHSLIPQSJ-LBPRGKRZSA-N 303.366 -0.007 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)c3cc[n+]([O-])cc3)CO2)C1 1053724907 TYOCWILGMBMOEE-CQSZACIVSA-N 301.346 -0.084 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)C[C@H]3CCNC3=O)CO2)C1 1053827694 GKIMRAJBNPAKDP-CHWSQXEVSA-N 305.378 -0.505 30 20 DBED CN1CC[C@@H](C(=O)N[C@@H]2COC3(C2)CN(CC#N)C3)CC1=O 1053849784 UQMNLPRSJKPPHY-NEPJUHHUSA-N 306.366 -0.662 30 20 DBED C=C(Cl)CN[C@@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@@H]1C 1054968959 NACAPJNAQSBSBE-CMPLNLGQSA-N 314.817 -0.393 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@](CO)(NC(=O)c2ccnnc2)C1 1056153772 PMTYKZFNYLWBAY-IAQYHMDHSA-N 317.349 -0.280 30 20 DBED N#Cc1nccnc1N1C[C@H]2C(NC(=O)Cc3cc[nH]n3)[C@@H]2C1 1056163940 SEYARKHOINGEPB-GHMZBOCLSA-N 309.333 -0.135 30 20 DBED N#Cc1cc(C(=O)N(CCO)CCNC(=O)[C@@H]2CCCO2)c[nH]1 1057391939 SOHWUYYRSMDVST-ZDUSSCGKSA-N 320.349 -0.384 30 20 DBED CCc1cc(C(=O)NCCN(CCO)C(=O)C#CC2CC2)n[nH]1 1057531451 PBJDJFSYYZHKEP-UHFFFAOYSA-N 318.377 -0.064 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H]1CCCN(C(=O)[C@H]2COC(=O)N2)C1 1057630920 GWHHLHJWUJZORV-DGCLKSJQSA-N 315.333 -0.114 30 20 DBED C=CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)[C@H](CC)OC 1057921627 LXXNKHUWXZQZPK-STQMWFEESA-N 316.398 -0.060 30 20 DBED N#Cc1nccnc1N1CC[C@@H](NC(=O)c2ccc(O)nn2)C1 1058276726 OWMYMVXCOSFTNK-SECBINFHSA-N 311.305 -0.147 30 20 DBED C[C@H]1CO[C@H](C(=O)N(CCO)CCNC(=O)C#CC2CC2)C1 1058327287 RQANHSQHETVTNM-OCCSQVGLSA-N 308.378 -0.238 30 20 DBED C=CCOCC(=O)N1CCOC[C@H]1CNC(=O)c1cncnc1 1061521844 JLRHWELERJCPQD-CYBMUJFWSA-N 320.349 -0.364 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1COCCN1C(=O)Cc1ccon1 1061569270 BTHRHTPLKLRGAR-CQSZACIVSA-N 317.345 -0.026 30 20 DBED Cn1nncc1C(=O)N1CCOC[C@H]1CNC(=O)C#CC1CC1 1061570163 VBRNUVJDUNWWMS-GFCCVEGCSA-N 317.349 -0.814 30 20 DBED C#CCO[C@H](C)C(=O)N1CCOC[C@H]1CNC(=O)C#CC1CC1 1061571639 DYTXLTTVKYQPQY-UKRRQHHQSA-N 318.373 -0.218 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@H]1COCCN1C(C)=O 1061582239 HZKLWYIGTLXNTG-KBPBESRZSA-N 311.382 -0.179 30 20 DBED C=C1CC(C)(C(=O)NC[C@H]2COCCN2C(=O)CC(=O)NC)C1 1061883198 NUICMLPDWJWZPF-LBPRGKRZSA-N 323.393 -0.178 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CCCCN1C(=O)Cn1nccn1 1062236591 LUSHZYFIMVZHOR-NWDGAFQWSA-N 304.354 -0.065 30 20 DBED N#Cc1ccc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)Cc2nc[nH]n2)nn1 1064294234 LDAGXZXKCIDALZ-IPURGOFSSA-N 310.321 -0.598 30 20 DBED C=CCCC(=O)N1CCO[C@@H](CNC(=O)[C@@]2(C)CCNC2=O)C1 1064957498 LBOGOSIXASTKEB-LRDDRELGSA-N 323.393 -0.178 30 20 DBED C[C@]1(NC(=O)[C@H]2C[C@H]2C(N)=O)CCN(c2nccnc2C#N)C1 1065329398 PFHHXTWAZALIMU-FTGAXOIBSA-N 314.349 -0.445 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCCN(C)C(=O)CCS(C)(=O)=O 1067739604 IVSPDLCIIYNSLN-NSHDSACASA-N 317.411 -0.112 30 20 DBED Cc1nccc(C(=O)N2C[C@H](n3ccnn3)[C@H](NCC#N)C2)n1 1070329098 IDMVOUUPHTZHJO-OLZOCXBDSA-N 312.337 -0.445 30 20 DBED C=CCN1C[C@@H]2OC(=O)N([C@H]3CCN(C(=O)COC)C3)[C@@H]2C1 1070897080 AVGVDVMVDTVCGU-XQQFMLRXSA-N 309.366 -0.075 30 20 DBED C=C(C)C(C)(C)C(=O)N1CCC(=O)NCCN(CC(N)=O)CC1 1070985408 NLHOXPRYBQZQGY-UHFFFAOYSA-N 324.425 -0.276 30 20 DBED C=C(C)[C@H](CC(=O)N[C@@H]1CCCN(C(=O)C(N)=O)C1)OCC 1071220650 KSGVPXZUKIGREE-NEPJUHHUSA-N 311.382 -0.050 30 20 DBED C[C@@H]1CC[C@@H](NC(=O)CN2CCCS2(=O)=O)CN1CC#N 1071550042 WVUKVEPWOSNZAF-VXGBXAGGSA-N 314.411 -0.485 30 20 DBED C#CCOCCC(=O)N[C@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@@H]1C 1072632383 LRKFZZLKHYGNBW-RYUDHWBXSA-N 321.377 -0.745 30 20 DBED N#CCN1CCC2(C1)CN(C(=O)[C@H]1CCCCN1C(N)=O)C2 1073115808 AHBHHTDEEJIVAL-GFCCVEGCSA-N 305.382 -0.023 30 20 DBED N#CCN1CCO[C@@H]2CCN(C(=O)c3nccnc3N)C[C@H]21 1074195559 WPXXWWFPCKYXGV-GHMZBOCLSA-N 302.338 -0.502 30 20 DBED Cn1ncc(CCC(=O)N2CC[C@H]3OCCN(CC#N)[C@@H]3C2)n1 1074339498 VKPQKPCIMCKFSP-ZIAGYGMSSA-N 318.381 -0.427 30 20 DBED CCn1cc(C(=O)N2CC[C@@H]3OCCN(CC#N)[C@@H]3C2)nn1 1074372163 SJTLQFZYSFQSPA-OLZOCXBDSA-N 304.354 -0.263 30 20 DBED C[C@H]1[C@@H](NCC#N)CCN1C(=O)[C@@H]1CCc2nnc(O)n2C1 1074718562 ZNXXWXDKXXVZCS-AXFHLTTASA-N 304.354 -0.351 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)c1ocnc1C 1076218681 AKNAZJCKBIFZIA-JTQLQIEISA-N 320.349 -0.253 30 20 DBED C[C@@H](CCNC(=O)C#CC1CC1)NC(=O)c1cn(C)c(=O)n1C 1076432577 WDFZBJIOBNHRLZ-NSHDSACASA-N 318.377 -0.238 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1cnon1 1077124768 FGEWKCVBJWNPOO-AAEUAGOBSA-N 319.365 -0.208 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCn3cc(C)nc3C2)C1 1077228883 DLDMCFUDNRCXQI-BFHYXJOUSA-N 302.378 -0.452 30 20 DBED C=C[C@@](C)(O)CC(=O)N(CC)C1CN(C(=O)c2nnn(C)n2)C1 1079690548 XPMBQZYNBLVRGS-CQSZACIVSA-N 322.369 -0.790 30 20 DBED C#CCOCCC(=O)N(CC)C1CN(C(=O)C(C)(C)C(N)=O)C1 1079773736 WPVWKNBSIJJFLG-UHFFFAOYSA-N 323.393 -0.403 30 20 DBED C=CCCC(=O)N1CC(N(CC)C(=O)CN2C(=O)CNC2=O)C1 1080588269 WXOAUGSEVWTVNR-UHFFFAOYSA-N 322.365 -0.436 30 20 DBED COCCC(=O)N1C[C@H](CNC(=O)c2ccc(C#N)[nH]2)[C@@H](O)C1 1081413928 MZJSIYXGYCMOPK-GWCFXTLKSA-N 320.349 -0.528 30 20 DBED CC(=O)NCC(=O)N1C[C@H](CNC(=O)C#CC(C)(C)C)[C@@H](O)C1 1081473874 LDJCXXSCFFTJOP-STQMWFEESA-N 323.393 -0.893 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)Cc2n[nH]c(C)n2)C1 1081476290 DPFTWAINICIGIQ-VXGBXAGGSA-N 321.381 -0.443 30 20 DBED Cn1nccc1CN1C[C@H](O)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 1083414484 FULVUTJJRYAQJH-KGLIPLIRSA-N 314.349 -0.405 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)c2ccnn2CCOC)C1 1083553909 CTPYJHUDSSSGRJ-OCCSQVGLSA-N 306.366 -0.672 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)c2nc(OC)cc(OC)n2)C1 1083572532 VMZRWMUIBRQWKX-ZJUUUORDSA-N 308.338 -0.545 30 20 DBED C#CCN1CC[C@H]1CN(C)C(=O)[C@@H]1CCc2nnnn2CC1 1085829447 XSJBORBJZGZODS-OLZOCXBDSA-N 302.382 -0.209 30 20 DBED C#CCN1CCC(C(=O)N(C)C[C@H]2CCN2CC(N)=O)CC1 1085986596 IIPFNXUDAAGMIJ-CQSZACIVSA-N 306.410 -0.650 30 20 DBED C=CCN1CC[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)[C@H]1CC 1087833610 KJHQIRFVCVIPRS-QJPTWQEYSA-N 301.412 -0.167 30 20 DBED C#CCCN1C[C@H]2[C@H]3CC[C@@H]([C@H]2C1)N(C(=O)Cn1ncnn1)C3 1089818624 YCIOSFHQWSJBFS-AJNGGQMLSA-N 314.393 -0.135 30 20 DBED C=CCN1CC[C@@H](NC(=O)CN2C(=O)CC(C)(C)C2=O)[C@@H](O)C1 1090269928 VBMNLQQQRAUVRJ-NEPJUHHUSA-N 323.393 -0.491 30 20 DBED Cn1nc(C(=O)N[C@@H]2CCN(CC#N)C[C@@H]2O)cc1C1CC1 1090307585 BIMAQFIMKGVYFV-RISCZKNCSA-N 303.366 -0.014 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CCN(CCCO)C[C@@H]2O)cn1 1090739403 JODYQOBEJXMLAA-CABCVRRESA-N 303.362 -0.390 30 20 DBED C=CCN1CC[C@@H](NC(=O)Cc2nc(C3CC3)nn2C)[C@H](O)C1 1090825210 XDFGAIUVPROKSS-CHWSQXEVSA-N 319.409 -0.028 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CN(c2ncnc3scnc23)C[C@@H]1O 1091079479 QXSCXEWUSKKMFI-YIZRAAEISA-N 318.362 -0.088 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(c2ccc(C)nn2)C[C@@H]1O 1091152948 NBXRWAOSDWJCQO-UPJWGTAASA-N 304.350 -0.511 30 20 DBED CS(=O)(=O)CC(=O)NC[C@H]1C[C@@H](N=c2cc[nH]cc2C#N)C1 1091317510 AEABFZBUFDJYQO-KLPPZKSPSA-N 322.390 -0.274 30 20 DBED C[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1CNC(=O)CNC(N)=O 1092321749 HBXHJFXCFYSMLX-NXEZZACHSA-N 317.353 -0.795 30 20 DBED CC[C@H](C)C(=O)NCC(=O)NCCN=c1cc[nH]c(C#N)n1 1093648717 XYFGOXMTWGVNHP-JTQLQIEISA-N 304.354 -0.539 30 20 DBED Cc1nc(NCCNC(=O)C[C@H]2CC(=O)NC2=O)ccc1C#N 1093716952 AMOOTIBGENGEEY-NSHDSACASA-N 315.333 -0.157 30 20 DBED Cc1nnc(O)c(C(=O)NCCN=c2cc[nH]c(C#N)n2)c1C 1094053915 IDGMJBTUBCKFKG-UHFFFAOYSA-N 313.321 -0.275 30 20 DBED N#Cc1nc(NCCNC(=O)[C@H]2CNC(=O)N2)sc1Cl 1094104798 UMABSLLOMIXMGU-ZCFIWIBFSA-N 314.758 -0.122 30 20 DBED CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NCCN=c1cc[nH]c(C#N)n1 1094142437 GBQPDTYMOMFKBE-VHSXEESVSA-N 302.338 -0.977 30 20 DBED COCC(=O)N[C@@H](C)C(=O)NCCNc1cnc(C#N)cn1 1094185297 OTMUCOZSMWELOL-VIFPVBQESA-N 306.326 -0.973 30 20 DBED C#CCN1CC(n2cc(CNC(=O)c3cnc(C)cn3)nn2)C1 1094272996 HIUNVHPNKAOWTK-UHFFFAOYSA-N 311.349 -0.204 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)c3cc(C)nn3C)CC2=O)C1 1094714059 PHGGULBMNFMDTF-GFCCVEGCSA-N 315.377 -0.623 30 20 DBED CCNC(=O)CC(=O)N[C@@H]1CCCN(c2cnc(C#N)cn2)C1 1096161922 WNJOPMAYQRSYTK-LLVKDONJSA-N 316.365 -0.041 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CCN(c2cc(F)ncn2)C1 1096361210 XPPXZYISOBEXTM-JTQLQIEISA-N 305.313 -0.550 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cn1nc(C)ccc1=O 1096394663 FAORDEZJDBJYMX-RDBSUJKOSA-N 300.362 -0.094 30 20 DBED CC(=O)NC(C)(C)C(=O)N[C@@H]1CCN(c2nccnc2C#N)C1 1096400224 JADUWFVIWNTLMK-LLVKDONJSA-N 316.365 -0.042 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H]1CN(C(C)=O)CCO1 1096462475 VBLIFCRZDSLULV-CBBWQLFWSA-N 305.378 -0.412 30 20 DBED CN(C)C(=O)CC(=O)N[C@H]1CCN(c2ccc(C#N)nn2)C1 1096488699 QZMLPUZZPGSGNL-NSHDSACASA-N 302.338 -0.479 30 20 DBED C[C@H](CNC(=O)CSCC#N)Nc1ncnc2c1nnn2C 1097676122 LSLOFWJNVHOTSD-MRVPVSSYSA-N 320.382 -0.068 30 20 DBED C[C@H](CNC(=O)[C@@H]1CCC(=O)NC1)Nc1cncc(C#N)n1 1098397744 TUURDAULYNHVFU-NXEZZACHSA-N 302.338 -0.209 30 20 DBED C[C@H](CCNC(=O)COCCN(C)C)N=c1cc[nH]c(C#N)n1 1099313756 GPKZWWSSHLCZIZ-GFCCVEGCSA-N 320.397 -0.345 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)C2CCCC2)[C@@H](O)C1 1099611730 WOSAKMKBXJKZRR-KBPBESRZSA-N 307.394 -0.523 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2cnc(C)[nH]2)[C@H](O)C1 1099726834 KCWDRWHTBXLCTL-GXTWGEPZSA-N 306.366 -0.467 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)/C=C/C(C)(C)C)[C@@H](O)C1 1099749155 GXWICNCTQHMFHQ-AJKRIUKHSA-N 321.421 -0.111 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)CCc2nc[nH]n2)[C@H](O)C1 1099764488 WQGNLSZBDVTLFO-QWHCGFSZSA-N 323.397 -0.509 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCN(CCC(=C)C)C[C@@H]1O 1099788991 KDVYKYYSBRPFKG-KGLIPLIRSA-N 307.394 -0.357 30 20 DBED C=CCN1CC[C@H](NC(=O)CNC(=O)c2ccoc2)[C@@H](O)C1 1099848244 SYCFXOFHUHUAIP-STQMWFEESA-N 307.350 -0.253 30 20 DBED CCN(CCNC(=O)CNC(=O)OC)c1nccnc1C#N 1100451653 ZINKWGOJMRNMCQ-UHFFFAOYSA-N 306.326 -0.353 30 20 DBED C=CCNC(=O)CNC1CC(CNC(=O)c2n[nH]cc2F)C1 1100653268 XCJPJZKNZWHVMO-UHFFFAOYSA-N 309.345 -0.051 30 20 DBED Cc1cc(C#N)nc(N2CCC[C@H]2CNC(=O)CC(N)=O)n1 1100811282 ASZROQFUGPGYLN-NSHDSACASA-N 302.338 -0.383 30 20 DBED N#Cc1nccnc1N(CCNC(=O)Cn1nccn1)C1CC1 1101395460 TUERGXKTORKDNA-UHFFFAOYSA-N 312.337 -0.275 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)c2cnsn2)C1 1101760298 BUTGLMRYRMJTHC-GHMZBOCLSA-N 321.406 -0.415 30 20 DBED CN(CCNc1nccnc1C#N)C(=O)c1cn(C)c(O)n1 1101940002 NUGWZTPCGJECGF-UHFFFAOYSA-N 301.310 -0.029 30 20 DBED CC(=O)N(C)CC(=O)N(C)[C@H]1CCN(c2ccc(C#N)nn2)C1 1102671665 RKKWDIRKNVQZBQ-ZDUSSCGKSA-N 316.365 -0.136 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CCCCN(c2cncc(C#N)n2)C1 1102838290 PXGSZIYDLJYNBN-GFCCVEGCSA-N 316.365 -0.041 30 20 DBED C#CCOCCC(=O)NCC[C@@H]1CN([C@H](C)C(N)=O)C[C@H]1C 1102974380 YYPUEEOTVRKNDI-MGPQQGTHSA-N 309.410 -0.026 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1CCNC(=O)CCN(C)C 1103396719 GHLMDHCUBPZASL-ZIAGYGMSSA-N 323.441 -0.348 30 20 DBED C#CCN1C[C@@H](C)[C@H](CCNC(=O)c2cn(C)c(=O)nc2O)C1 1103717964 TXNOWOSRRSIFJB-VXGBXAGGSA-N 318.377 -0.193 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)CS(C)(=O)=O 1104498029 PXCXVVRFAAKURE-VIFPVBQESA-N 311.367 -0.926 30 20 DBED COCC#CCNCC[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1C 1104613051 HCNDZROQONYWBS-ZIAGYGMSSA-N 321.421 -0.024 30 20 DBED Cc1cnc(C(=O)N2CC(n3cc(CNCC#N)nn3)C2)cn1 1105142399 KHFAWROVOSSCOL-UHFFFAOYSA-N 312.337 -0.313 30 20 DBED C#CCNCc1cn(C2CN(C(=O)[C@@H](COC)OC)C2)nn1 1105323509 DIMSXSKHUWROCS-CYBMUJFWSA-N 307.354 -0.954 30 20 DBED CN(CCN(C)c1cncc(C#N)n1)C(=O)[C@]1(C)CNC(=O)C1 1105510822 ROXMCRCHZFUMDE-HNNXBMFYSA-N 316.365 -0.231 30 20 DBED CC(=O)NC(C)(C)C(=O)NC[C@H](O)CNc1nccnc1C#N 1105897297 BTRPRKSPRLHBAK-SNVBAGLBSA-N 320.353 -0.848 30 20 DBED C=CCOCC(=O)N1C[C@@H](C)[C@H](CNC[C@H](O)COC)C1 1105941925 QPFYFBWGYAQZRT-MCIONIFRSA-N 300.399 -0.120 30 20 DBED COC1CC(C(=O)NC[C@@H](O)CN=c2cc(C)[nH]cc2C#N)C1 1105997163 KBCBYEZDQCVCCX-QRMWWUJWSA-N 318.377 -0.002 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)[C@@]2(F)CCOC2)nc1 1106073707 XYVLAZZIUBBRKF-BXUZGUMPSA-N 308.313 -0.029 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@]1(C)CN(Cc2nnn(C)n2)CCO1 1107818770 FPHUQNOHWKOLPS-GWCFXTLKSA-N 307.358 -0.923 30 20 DBED CCn1nnc(C)c1C(=O)NC[C@]1(C)CN(CC#N)CCO1 1107994254 NQELQSFQYAQLKD-CQSZACIVSA-N 306.370 -0.049 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)C[C@@H]2CCC(=O)N2C)C1 1108112749 AAZOJIUTAUFYSM-BBRMVZONSA-N 307.394 -0.162 30 20 DBED CC#CCN1CCO[C@](C)(CNC(=O)c2cn(C)c(O)n2)C1 1108183974 JJRBNPSSSYWABJ-OAHLLOKOSA-N 306.366 -0.030 30 20 DBED CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NC[C@]1(C)CN(CC#N)CCO1 1108216119 RTVSBSMXJPBBQS-YWPYICTPSA-N 308.382 -0.559 30 20 DBED C[C@@H](CNc1nccnc1C#N)NC(=O)[C@@H]1COCCN1C 1108319714 DMVFGIPBUIMHEA-JQWIXIFHSA-N 304.354 -0.405 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)[C@@H](C)n1cncn1 1108319920 MIUMZNFIISVETN-VHSXEESVSA-N 300.326 -0.461 30 20 DBED C[C@]1(CNC(=O)[C@@H]2CCCCN2C(N)=O)CN(CC#N)CCO1 1108334166 DRZGVTPZWNCQOY-WFASDCNBSA-N 323.397 -0.350 30 20 DBED COCC#CCN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CNC(N)=O)C2 1108616138 JMXBRUUOQNWAQN-XQQFMLRXSA-N 308.382 -0.726 30 20 DBED C[C@@H](CNc1cnc(C#N)cn1)NC(=O)[C@@H]1CN(C)C(=O)N1 1108636205 WPYOQGXZCFNXLR-WPRPVWTQSA-N 303.326 -0.712 30 20 DBED COCC(=O)N[C@H](C)C(=O)N[C@@H](C)CNc1nccnc1C#N 1108746308 LOZNJBUUWAOQGW-VHSXEESVSA-N 320.353 -0.584 30 20 DBED CCc1nc(C#N)cc(NCCCN(C)C(=O)CNC(N)=O)n1 1109374249 XNSASSULBMMDBC-UHFFFAOYSA-N 319.369 -0.161 30 20 DBED CN(CCCNc1ccc(C#N)nn1)C(=O)[C@@H]1COC(=O)N1 1109424416 DJFZRAHPAKGIBU-JTQLQIEISA-N 304.310 -0.283 30 20 DBED C=CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H](CCC(N)=O)NC(C)=O 1109849363 OSNLQWGYHCVDJQ-RFGFWPKPSA-N 322.409 -0.336 30 20 DBED C[C@@H](CC(N)=O)C(=O)N[C@H](CN=c1cc[nH]c(C#N)n1)C1CC1 1109946563 WBNYHCGQLUIXHC-GXSJLCMTSA-N 316.365 -0.412 30 20 DBED Cc1cc(C#N)nc(NC2(CNC(=O)Cn3cnnn3)CC2)n1 1110053902 DJMZBNXKHXJFGA-UHFFFAOYSA-N 313.325 -0.596 30 20 DBED C=CCOCC(=O)N[C@@]1(C)CCN(c2ccc3nnnn3n2)C1 1110728031 FLBJLTLZGSBVFN-AWEZNQCLSA-N 317.353 -0.193 30 20 DBED N#Cc1nc(=NCCN(CCO)C(=O)c2ccco2)cc[nH]1 1111421305 DZLZOMLZUQFVMO-UHFFFAOYSA-N 301.306 -0.090 30 20 DBED C=C[C@@](C)(O)CC(=O)N(CCO)CCNc1nccnc1C#N 1111466802 JHKOYEPJIFFBPC-OAHLLOKOSA-N 319.365 -0.092 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)C[C@@H]2CCCO2)CC1 1112633972 CDUBZBMDUIMNLK-KBPBESRZSA-N 307.394 -0.162 30 20 DBED CCN(CCC#N)C(=O)CN1CCN(C(=O)[C@H]2CCOC2)CC1 1112671992 YFUFCEURVOJLPU-AWEZNQCLSA-N 322.409 -0.071 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2ccnc(O)c2)CC1 1112765371 VKTODPIDNRXRFK-UHFFFAOYSA-N 302.334 -0.706 30 20 DBED C=CCCCN1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)CC1 1113639146 VLGUWVCOICAYGV-LBPRGKRZSA-N 301.412 -0.212 30 20 DBED C=CCCOCC(=O)N1CCN([C@@H](C)C(=O)NC(N)=O)CC1 1113710320 KOJGLSFZKNSRCY-NSHDSACASA-N 312.370 -0.693 30 20 DBED C[C@@H](CNC(=O)C(C)(C)C(N)=O)N(C)c1nccnc1C#N 1113741353 PNGIMMLGQHCIGW-VIFPVBQESA-N 304.354 -0.199 30 20 DBED CN1CCC[C@H](N2C[C@H]3C(NC(=O)CSCC#N)[C@@H]3C2)C1=O 1113897153 POEAGNDDHBFMON-UTUOFQBUSA-N 322.434 -0.090 30 20 DBED CC(C)n1nnnc1CN1C[C@H]2[C@H](NC(=O)[C@H](C)C#N)[C@H]2C1 1114064201 NQMDBZZWKMFYMN-DCQANWLSSA-N 303.370 -0.040 30 20 DBED C[C@H](CC(N)=O)C(=O)N[C@H]1C[C@H](CN=c2cc[nH]c(C#N)n2)C1 1114805232 YPNKYPLJKHONII-GMTAPVOTSA-N 316.365 -0.412 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)Cc3cnc[nH]3)[C@@H]2C1 1114885200 KOJIOPYWRIKEFO-VXGBXAGGSA-N 303.366 -0.699 30 20 DBED C=C(C)CN1C[C@H]2C(NC(=O)CCn3cc[nH]c(=O)c3=O)[C@@H]2C1 1114987078 UJAMWWWVSDYEEN-VXGBXAGGSA-N 318.377 -0.451 30 20 DBED CC(C)(C)NS(=O)(=O)CC(=O)N[C@H]1[C@@H]2CN(CC#N)C[C@@H]21 1115254218 KZIMCSVFKKFVAE-IAZYJMLFSA-N 314.411 -0.726 30 20 DBED C=CCCOCC(=O)N[C@H]1[C@@H]2CN(CC(=O)N3CCC3)C[C@@H]21 1115323973 IXPDQUJFQSKXNV-VIKVFOODSA-N 307.394 -0.142 30 20 DBED CC(C)NC(=O)CN(C)C(=O)C(=O)Nc1cccc(C#N)n1 1118201147 SMRRNENXVVWGHC-UHFFFAOYSA-N 303.322 -0.125 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2C[C@@H]3CCC[C@@]3(N)C2)nn1 1118767888 ZRBBSPTVBUNDRT-XHDPSFHLSA-N 318.381 -0.580 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)CN2CCCC2)nc1 1121580095 FQXAIOBAQOOMGU-CYBMUJFWSA-N 303.366 -0.062 30 20 DBED CN(C[C@H](O)CNc1cccc(F)c1C#N)C(=O)CNC(N)=O 1124076810 PNWYJURJBNMTDA-SECBINFHSA-N 323.328 -0.403 30 20 DBED CN(C[C@@H](O)CNc1cncc(C#N)n1)C(=O)c1cnsn1 1124090392 HPFCWRZRDIJIQO-VIFPVBQESA-N 319.350 -0.255 30 20 DBED CCc1nc(C#N)cc(N(C)C[C@H](O)CN(C)C(=O)COC)n1 1124924488 DDEPHMWANNDTIX-LBPRGKRZSA-N 321.381 -0.187 30 20 DBED C#CCO[C@@H](C)C(=O)NCCNC[C@H](O)COCc1ccco1 1127052065 QQOAHAGKIQFBBQ-KBPBESRZSA-N 324.377 -0.099 30 20 DBED COCC#CCNCCNC(=O)CNC(=O)c1ccoc1C 1127956600 ASQKDDWCHOFCFY-UHFFFAOYSA-N 307.350 -0.327 30 20 DBED C=C(C)[C@H](CC(=O)NCCN[C@@H](C)C(=O)NC(N)=O)OCC 1128539738 IWYBPSHSJMBKDT-QWRGUYRKSA-N 314.386 -0.353 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)CC2(O)CCC2)C1 1128989949 WZWCXQJZTZOEDW-OLZOCXBDSA-N 303.366 -0.442 30 20 DBED COCC[C@H](C)C(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1 1129445656 SFONGISQUUSJNF-XQQFMLRXSA-N 306.370 -0.184 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)[C@H](C)OC)C[C@@H]1n1ccnn1 1129647111 OZSKNIVMSUOOOU-MJBXVCDLSA-N 321.381 -0.696 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCN[C@@H]1CCN(CC=C)C1=O 1129770882 MQAMQMNQRAARDO-CABCVRRESA-N 318.421 -0.423 30 20 DBED N#CCN[C@@H]1CN(C(=O)CCOCC2CC2)C[C@@H]1n1ccnn1 1129837612 HIANHDDKVDPREV-KGLIPLIRSA-N 318.381 -0.040 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cn2cc(C)ccc2n1 1130219996 YVHKQVDIFCXGBN-UHFFFAOYSA-N 313.361 -0.288 30 20 DBED C#CCO[C@@H](C)C(=O)NCc1c[nH]nc1[C@@H]1CCN(CCO)C1 1130386696 PYFHDVVKBSRQHB-QWHCGFSZSA-N 320.393 -0.154 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)c1cn2cccnc2n1 1130802802 LZTUSMORBIMWRP-LLVKDONJSA-N 316.365 -0.261 30 20 DBED COC[C@H](OC)C(=O)N1C[C@@H]2C[C@@H]3CN(CC#N)C[C@]2(C1)O3 1131263422 BEJKSFNTWAAIHD-SFDCQRBFSA-N 309.366 -0.527 30 20 DBED C=CCCC(=O)N1CCC(=O)NCCN([C@H](CC)C(N)=O)CC1 1131336907 OMOCXCGPFXZCCS-CYBMUJFWSA-N 324.425 -0.133 30 20 DBED COc1ccc(F)cc1C(=O)NCCNCC(=O)NCC#N 1132096359 HUAWVPFOKOHZSK-UHFFFAOYSA-N 308.313 -0.207 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)c2nnc(O)nc2O)CC[C@H]1C 1132953442 FPEWSUBOHIZFEF-GHMZBOCLSA-N 319.365 -0.006 30 20 DBED C#CCNC[C@@H]1CN(C(=O)c2cn(CC(N)=O)nn2)CC[C@H]1C 1133338391 UZJYFPWRLUJRNF-VXGBXAGGSA-N 318.381 -0.916 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)C[C@@H](C)NCc1cnnn1C 1134130046 BIZLWEFJMSJMDK-NEPJUHHUSA-N 320.397 -0.673 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)Cc1ccnn1C 1134224123 PPCIBGCFMLTRGS-CHWSQXEVSA-N 319.409 -0.415 30 20 DBED CC#CCN[C@H](C)C[C@H](C)NC(=O)Cn1cnc(C(N)=O)n1 1134398855 IEYNTTSWCOZZHX-MNOVXSKESA-N 306.370 -0.727 30 20 DBED CC#CCN[C@H](C)C[C@@H](C)NC(=O)CNC(=O)Cn1cncn1 1146561850 KSKBUGLTLLBIDI-CHWSQXEVSA-N 320.397 -0.710 30 20 DBED C=CCOCCN1CCC2(C1)CN(C(=O)[C@@H]1CN(C)C(=O)N1)C2 1148024756 MNXLOUBOCKSVLA-ZDUSSCGKSA-N 322.409 -0.253 30 20 DBED C=CCOCC(=O)NC1(CCOC)CCN(CC(N)=O)CC1 1151014186 FXFANIJCKDBYTC-UHFFFAOYSA-N 313.398 -0.338 30 20 DBED C[C@@H](C#N)C(=O)NCCCNC[C@H]1CCN(S(C)(=O)=O)C1 1155841906 JGZKFMGTXMYQDU-NWDGAFQWSA-N 316.427 -0.477 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCCNC[C@@H](O)Cn1cccn1 1157201982 OKAMIKJCDSBTCG-UKRRQHHQSA-N 310.398 -0.333 30 20 DBED C=CCCCNCCCNC(=O)[C@H](CCC(N)=O)NC(C)=O 1168504923 YARKBZTYKBUHOB-ZDUSSCGKSA-N 312.414 -0.181 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H]2CC[C@H]1[C@@H](CNCCOC)C2 1177711755 SLDVCMARGKJVDX-ZNMIVQPWSA-N 321.421 -0.011 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)C2CCN(C)CC2)C1 1185385882 WHDXIUVKQNHAGH-UKRRQHHQSA-N 320.437 -0.343 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)Cn2nc(C)ccc2=O)C1 1187259920 MFGHZUPBQYGWKP-CQSZACIVSA-N 318.377 -0.608 30 20 DBED C=C(C)CCN[C@@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 1187887914 ULAJGSGQAKNCOL-NEPJUHHUSA-N 301.412 -0.165 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@@H]1CCN(C(=O)CCOCC#C)C1 1190111981 BQDPICMAQBFLNL-HUUCEWRRSA-N 319.405 -0.303 30 20 DBED Cc1cc(CN2C[C@@H](O)[C@H](NC(=O)CSCC#N)C2)nn1C 1191161756 KBKZEHWINCPXCA-CHWSQXEVSA-N 323.422 -0.353 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CN(Cc2nc(C3CC3)nn2C)C[C@H]1O 1191873362 VCWCMKMDRPSVHX-MVWJERBFSA-N 318.381 -0.487 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@H]1CCN(C(=O)CC(=O)N(C)C)C1 1192760212 WNIUXBVCEQQDEY-OLZOCXBDSA-N 322.409 -0.865 30 20 DBED C[C@@H](C(=O)NC(C)(C)C)N1C[C@@H](O)[C@H](NC(=O)C#CC2CC2)C1 1192862259 OFZWIAQRVRIYBG-IACUBPJLSA-N 321.421 -0.136 30 20 DBED CC(C)OCCC(=O)N1CCCN(CC(=O)NCC#N)CC1 1194919072 JPASPJWKSZYAMI-UHFFFAOYSA-N 310.398 -0.024 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCCN(C(=O)[C@@H]2CCN(C)C2)CC1 1198098309 USERAVWRAPTNAK-HUUCEWRRSA-N 320.437 -0.390 30 20 DBED C#CCNC(=O)[C@H](C)NC1CCN(C(=O)Cn2cccn2)CC1 1199313138 XLGLTBCUIHTYNU-ZDUSSCGKSA-N 317.393 -0.398 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC(NCC(=O)NCC=C)CC1 1200495344 PWYGORWNMAJSJM-CYBMUJFWSA-N 307.394 -0.093 30 20 DBED N#CCNC(=O)CN[C@@H]1C[C@H](NC(=O)c2ccon2)C12CCC2 1202560556 DXYHCEWQUHHSBX-NEPJUHHUSA-N 317.349 -0.055 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)c2ncccn2)CC1 1203026616 OCISRVNPWNLJGY-UHFFFAOYSA-N 301.350 -0.580 30 20 DBED C=CCN[C@@H]1C[C@@H](NC(=O)CNS(=O)(=O)NC)C12CCC2 1203232497 WNEIFQQDCHNZHE-GHMZBOCLSA-N 316.427 -0.757 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)CC[C@@H]1CCOC1 1206864577 NMFDETAVSQHNMA-MGPQQGTHSA-N 322.409 -0.121 30 20 DBED COCC#CCN1C[C@@H](NC(=O)C[C@H]2CCC(=O)NC2)[C@H](C)C1 1207516017 KNRDCQVDJKMIMU-RBSFLKMASA-N 321.421 -0.011 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@@H](NCc2ccon2)C1 1207869603 IJYIGMXUNXNLIP-CYBMUJFWSA-N 304.350 -0.105 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)c2ncn(C)n2)C1 1207982687 DBHNVEXIJIKEEW-VXGBXAGGSA-N 320.397 -0.300 30 20 DBED C=CCCN[C@H]1CCCN(C(=O)CN2CCN(C)C(=O)C2)C1 1208453796 OLXVLRSCHCXPLV-AWEZNQCLSA-N 308.426 -0.083 30 20 DBED CCc1nocc1C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1208520960 ZETNOIGNHNTQJG-ZWNOBZJWSA-N 319.365 -0.073 30 20 DBED COCC#CCN[C@@H]1CCCN(C(=O)COCCN(C)C)C1 1210683800 BNEPMIZUQIKAPN-OAHLLOKOSA-N 311.426 -0.205 30 20 DBED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)c1ccoc1C 1211816858 HMRSMFLBVASEAO-CHWSQXEVSA-N 320.349 -0.343 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)C2(C(C)C)CC2)[C@H](OC)C1 1213419216 NUCINIUOWDOBKZ-ZIAGYGMSSA-N 321.421 -0.013 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2nccs2)[C@H](OC)C1 1213609183 OZLKVTGNNSCGLG-GHMZBOCLSA-N 322.390 -0.679 30 20 DBED C=CCN1C[C@@H](NC(=O)CN(C)S(=O)(=O)CC)[C@H](OC)C1 1213653877 MASJUWBLTWAYRH-VXGBXAGGSA-N 319.427 -0.731 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)C2CC(OC)C2)C[C@H]1C 1214918751 GQHVOFVNBVQWML-BLYZHGLHSA-N 307.394 -0.403 30 20 DBED CC#CCN[C@@H]1CN(C(=O)CCn2ncn(C)c2=O)C[C@H]1C 1215217975 XYDYYDDYGPERLH-CHWSQXEVSA-N 305.382 -0.568 30 20 DBED C=CCOCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CCC(=O)N1 1217516349 FKLQTTDVFNWGBX-HZSPNIEDSA-N 323.393 -0.621 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CC(=O)NCC1CC1 1218942926 ZQANVIRBWRWXSX-QWHCGFSZSA-N 306.366 -0.662 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CN(CCC[C@@H](C)O)C[C@@H]2O)nn1 1220504781 RORYSATURJZBSZ-BZPMIXESSA-N 323.397 -0.600 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CN(CC(=O)NC(C)C)C[C@@H]1O 1221143532 IESLQJBIQSPUTL-XQQFMLRXSA-N 313.398 -0.737 30 20 DBED C#CCCN1CC[C@@H]2CN(C(=O)COCc3ncnn3C)[C@@H]2C1 1221908936 VLAVRTGNQLNTJT-ZIAGYGMSSA-N 317.393 -0.112 30 20 DBED COCC#CCN1CCC(CNC(=O)CNC(=O)C2CC2)CC1 1222486020 AOQZEBYLZVIRSQ-UHFFFAOYSA-N 321.421 -0.009 30 20 DBED C=CCOCC(=O)N[C@@H]1CCCC[C@H]1NCc1nc(=O)n(C)[nH]1 1225361313 APDGGGSTEXUKQV-VXGBXAGGSA-N 323.397 -0.172 30 20 DBED N#CCNC(=O)CN1CCC(NC(=O)C[C@H]2CCOC2)CC1 1226691341 XTTDTDFRYMQMDZ-GFCCVEGCSA-N 308.382 -0.367 30 20 DBED C#CCO[C@H](C)C(=O)NC1CCN(Cc2cn(C)nn2)CC1 1227342071 HMYGAXHFQLKPOC-GFCCVEGCSA-N 305.382 -0.066 30 20 DBED COCCCCC(=O)N(C)C[C@H]1CCN1CC(=O)NCC#N 1231138591 JCIQLFNEVUMONG-CYBMUJFWSA-N 310.398 -0.024 30 20 DBED COCC#CCN1CC[C@H]1CN(C)C(=O)CN1CCOCC1 1233750831 ITLABOVGVCADLR-HNNXBMFYSA-N 309.410 -0.499 30 20 DBED CN(C[C@H]1CCN1CC(=O)NCC#N)C(=O)[C@H](C1CC1)N(C)C 1235336196 OQXILEWLTNMIOF-HIFRSBDPSA-N 321.425 -0.501 30 20 DBED C=CCS(=O)(=O)CCNC(=O)NC[C@@H](CO)[C@@H]1CCOC1 1256428900 VORWEJDFHUEHPU-NEPJUHHUSA-N 320.411 -0.469 30 20 DBED C#CCN(CC)c1nnnn1CCCNS(=O)(=O)CC 1262403254 DHJPWYMIESKHHT-UHFFFAOYSA-N 300.388 -0.538 30 20 DBED N#CCCn1ccc(NC(=O)C(=O)NCCN2CC=CC2)n1 1320714504 AVJCKSLTUKBOCP-UHFFFAOYSA-N 302.338 -0.277 30 20 DBED N#CCCNC(=O)COC(=O)C[C@H]1CCCS(=O)(=O)C1 1324278135 GAURMPWEJXYLIP-SNVBAGLBSA-N 302.352 -0.226 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCc3n[nH]cc3C2)CCO1 1325632931 MRTDDUNWDPFSJG-WDEREUQCSA-N 303.322 -0.866 30 20 DBED CC(C)(C)NS(=O)(=O)CCNC(=O)C(=O)NCCCC#N 1325676016 BIFWKAHHZZJJOQ-UHFFFAOYSA-N 318.399 -0.760 30 20 DBED Cc1[nH]c2ccnn2c(=O)c1CC(=O)N[C@@H]1CCCN(O)C1=O 1326396024 BZFYGAGLKVSXPC-SNVBAGLBSA-N 319.321 -0.630 30 20 DBED CN(C)c1ncncc1NC(=O)C(=O)N1CC[C@](O)(CC#N)C1 1326833523 YKYHATSFXVOWNR-CQSZACIVSA-N 318.337 -0.642 30 20 DBED C=CCN(C(=O)C(=O)N1CCn2cnnc2C1)[C@H](C)COC 1327401292 WPFIXNKHEZWVDU-LLVKDONJSA-N 307.354 -0.330 30 20 DBED C#CC[C@@H](NC(=O)C(=O)N(CCN)CCO)c1ccccc1 1328732314 JDPOOANEZGBPLR-CQSZACIVSA-N 303.362 -0.353 30 20 DBED C=CCn1cc(CNC(=O)C(=O)NCC(C)(C)C[C@@H](C)O)nn1 1329204683 KJPWIXLTEHOQKO-LLVKDONJSA-N 323.397 -0.006 30 20 DBED C=CCn1c(CO)nnc1N1CCC(NC(=O)COC)CC1 1339044487 XYUNSVGGLNUBGL-UHFFFAOYSA-N 309.370 -0.312 30 20 DBED C=CCn1c(N2CCN(C(=O)COC)CC2)nnc1C(C)(C)O 1339170665 YMQQIRFZASORAB-UHFFFAOYSA-N 323.397 -0.014 30 20 DBED C=CCn1c([C@@H](C)CO)nnc1N1CCN(CCOC)C(=O)C1 1342297317 CLEKRMRDKJEYOJ-LBPRGKRZSA-N 323.397 -0.145 30 20 DBED C=CCOC[C@H](NC(=O)[C@@H]1CN2CCN1C[C@H]2C)C(=O)OC 1347532229 RUFRTSIDRKWLBS-AGIUHOORSA-N 311.382 -0.765 30 20 DBED CN1C(=O)CC[C@@H]1C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N 1361317968 IPRZWKQWSVMANO-SNVBAGLBSA-N 318.337 -0.323 30 20 DBED CCCOC(=O)CCNC(=O)CCn1cc(C#N)c(O)nc1=O 1362260854 BVGLCWVMVJRRFH-UHFFFAOYSA-N 322.321 -0.330 30 20 DBED COC(=O)[C@H]1CN(C)CCN(C(=O)C2(C#N)CCOCC2)C1 1362792530 XQBXKFZOHGVJRW-LBPRGKRZSA-N 309.366 -0.130 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](NC(=O)CCCS(C)(=O)=O)C1 1372294021 OKCLZKWNOIHDNH-GHMZBOCLSA-N 315.395 -0.312 30 20 DBED C=C(Br)CNC[C@H](O)CNC(=O)[C@H](C)NC(C)=O 1379160210 IDMRYTLQYSFWJV-WPRPVWTQSA-N 322.203 -0.514 30 20 DBED C=C(Cl)CNC[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)CCO1 1402613616 YQWSDVGPAKTCFS-SNVBAGLBSA-N 312.757 -0.047 30 20 DBED CCN(C(=O)CNC(=O)NC)[C@H]1CCN(C(=O)[C@@H](C)C#N)C1 1409208501 JUKJVWPUHQYUPV-QWRGUYRKSA-N 309.370 -0.476 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)NC[C@@H]1CCCN(C(N)=O)C1 1413354428 GESQHUFVFJJWBW-QWRGUYRKSA-N 317.415 -0.155 30 20 DBED C[C@H](CN(C)C(=O)c1ccn2nnnc2c1)NC(=O)[C@H](C)C#N 1425164420 IZAIGWVIMSBLHO-NXEZZACHSA-N 315.337 -0.139 30 20 DBED CNC(=O)CCCC(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1OC 1428879989 RJCJHFMLCAPXSW-QJPTWQEYSA-N 324.381 -0.596 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)c2ccn(C)c(=O)c2)CC1 1433978942 FBSZVWSZCRYAOU-JTQLQIEISA-N 302.334 -0.076 30 20 DBED C=C(Cl)CN1CCN(CCNC(=O)CNC(=O)OC)CC1 1436701264 XLZCWBRAEJZEJG-UHFFFAOYSA-N 318.805 -0.171 30 20 DBED C=C(Cl)CNC1(CNC(=O)CCNS(C)(=O)=O)CC1 1439608432 UZWVEJLLEYJXJV-UHFFFAOYSA-N 309.819 -0.083 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)CCn2cnccc2=O)C1 1447485156 PYOZRUMWHPQVSL-SRVKXCTJSA-N 317.349 -0.444 30 20 DBED N#Cc1cn(CCC(=O)N(CCO)CC(F)F)c(=O)nc1O 1448903351 GEYCTWHCEVCFTP-UHFFFAOYSA-N 316.264 -0.703 30 20 DBED CC(C)S(=O)(=O)CC(=O)NC[C@H](C)CNC(=O)[C@@H](C)C#N 1451579462 BWUIQWMUQQHBBU-QWRGUYRKSA-N 317.411 -0.162 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)CCc3cnn[nH]3)[C@H]2C1 1454529797 WKOAPOYIRHBBFE-MVVXRAEJSA-N 302.338 -0.530 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)CCc1cnn(C)c1 1458002054 FKACMRXQWMBSGX-JQWIXIFHSA-N 307.354 -0.894 30 20 DBED CO[C@H](C)C(=O)N(CCO)C1CCN(C(=O)[C@@H](C)C#N)CC1 1490155791 MHBUYFPPHGSEIF-NWDGAFQWSA-N 311.382 -0.007 30 20 DBED COCC(=O)NCCC(=O)N1CCCN(C(=O)[C@@H](C)C#N)CC1 1492048943 QVHOTWOTUNBNSP-LBPRGKRZSA-N 324.381 -0.640 30 20 DBED CCNC(=O)NC(=O)CN(C)CCCN(C)C(=O)[C@@H](C)C#N 1502167366 WPSZHICHECPDRC-NSHDSACASA-N 311.386 -0.228 30 20 DBED CC[C@H](CNC(=O)CS(=O)(=O)C(C)C)NC(=O)[C@H](C)C#N 1531216012 CXNLLGMMVBCGGT-GHMZBOCLSA-N 317.411 -0.020 30 20 DBED C=CCOCC(=O)N1CCC[C@H](N(C)C(=O)CNC(=O)O)C1 1573368212 BZTZYUQNFZUMQN-NSHDSACASA-N 313.354 -0.094 30 20 DBED N#CC[C@]1(O)CCN(C(=O)Nc2cccn(CC(=O)O)c2=O)C1 1574242599 XBEVVGOXVLURPJ-AWEZNQCLSA-N 320.305 -0.185 30 20 DBED N#C[C@]1(F)CCN(C(=O)C2(C(=O)O)CCS(=O)(=O)CC2)C1 1574480619 NPUVVINZRMUCDB-LLVKDONJSA-N 318.326 -0.270 30 20 DBED C#Cc1cncc(C(=O)N(CCO)CCNCc2cnn[nH]2)c1 1575033038 UTRWCISULZZAGB-UHFFFAOYSA-N 314.349 -0.595 30 20 DBED N#CCNC[C@@H](O)CNC(=O)c1ccc(-c2cnn[nH]2)nc1 1577709776 CFTJWMSKAYBEOW-SNVBAGLBSA-N 301.310 -0.929 30 20 DBED N#CCC1(O)CN(CC(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 1581857762 IQMWCZMWDUSGIR-UHFFFAOYSA-N 313.321 -0.234 30 20 DBED C#CC[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C)c[nH]1)C(=O)O 1588414582 WHQJUGFGRZKJPN-SECBINFHSA-N 313.335 -0.529 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1588431168 WMAOOWOUUIMSGX-NEPJUHHUSA-N 317.353 -0.454 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)[C@H]2C[C@H]2C(=O)O)CC1 1588483551 AFVYFNDUSDJNLB-NWDGAFQWSA-N 307.350 -0.963 30 20 DBED C#CCSCCn1nnnc1N1CCO[C@@H](CC(=O)O)C1 1588509791 NJBDTAQGSKDYLB-JTQLQIEISA-N 311.367 -0.281 30 20 DBED C=CCOC[C@H](NC(=O)Cn1ccc(C(=O)OC)n1)C(=O)O 1588856885 RNYSKBNROYPDAC-JTQLQIEISA-N 311.294 -0.558 30 20 DBED CC#CCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]2C(=O)O)C1 1588924805 FLTOGISTTGUDHL-VXGBXAGGSA-N 322.361 -0.410 30 20 DBED C#CCN1CC(n2cc(CNC(=O)[C@H]3C[C@H]3C(=O)O)nn2)C1 1602720668 BIIGNNFRSYHHER-NWDGAFQWSA-N 303.322 -0.895 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H](CC1OCCO1)C(=O)O 1602755291 NPTIYCLOAZLDCO-GHMZBOCLSA-N 314.338 -0.210 30 20 DBED N#CCNC1CC(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1606349583 DQXHKRUMEHJPSD-UHFFFAOYSA-N 300.326 -0.184 30 20 DBED C[C@H]1CN(CCC(=O)O)CCN1C(=O)[C@H](C)n1cnc(C#N)n1 1609869244 VNJNZCUKCMZVMU-QWRGUYRKSA-N 320.353 -0.282 30 20 DBED CNC(=O)CC1CCN(S(=O)(=O)N(C)CCC#N)CC1 1645583836 NXIWIUBXPRZZKI-UHFFFAOYSA-N 302.400 -0.075 30 20 DBED N#Cc1ccc(S(=O)(=O)NCC(=O)Nn2cnnc2)cc1 1645888653 CAEHIFZLPAGMOV-UHFFFAOYSA-N 306.307 -0.802 30 20 DBED CNC(=O)[C@@H](CO)NC[C@@H](O)COc1ccc(CC#N)cc1 1649849802 MDTKMTLLMFFJNU-TZMCWYRMSA-N 307.350 -0.811 30 20 DBED CCn1cc(C(=O)NCCCN2CCN(CC#N)CC2)nn1 1752355785 ZSVURVNVPHADFZ-UHFFFAOYSA-N 305.386 -0.441 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](C)NCCN1C(=O)CNC1=O 1752900590 DABMENKGQUTKTI-TUAOUCFPSA-N 324.381 -0.776 30 20 DBED C#CCCN1CC[C@@H](CNC(=O)Cn2ccc(=O)n(C)c2=O)C1 1753130013 SCORUMKEHVFPIH-ZDUSSCGKSA-N 318.377 -0.992 30 20 DBED CC(C)(C)C#CC(=O)NC[C@@H](O)CNC[C@@H](O)Cn1cccn1 1753911935 YAUVFKLNCNBSEM-UONOGXRCSA-N 322.409 -0.640 30 20 DBED COCC#CCNCCCN(C)C(=O)CCc1cn(C)nn1 1754418796 KCVCIUUXZYOKEE-UHFFFAOYSA-N 307.398 -0.164 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@H]1CNC(=O)Cc1cc[nH]n1 1754476742 BPDAUKXHUHSLGW-YPMHNXCESA-N 303.366 -0.719 30 20 DBED N#CCNC1(CNC(=O)[C@H]2CCCN(C(N)=O)C2)CCOCC1 1754739088 YWBYBKCJLCWBGX-LBPRGKRZSA-N 323.397 -0.444 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)CN2C(=O)CCC2=O)C[C@@H]1C 1754826935 JLBOGBQOWDTNDJ-QWHCGFSZSA-N 305.378 -0.157 30 20 DBED C#CCNC1CCN(CCNC(=O)[C@@H](C)S(C)(=O)=O)CC1 1754849022 CDTGPEAMJFVHGF-GFCCVEGCSA-N 315.439 -0.777 30 20 DBED COCC#CCNCC[C@@H]1CCN(C(=O)CN2CCOCC2)C1 1754911043 QYLRVMBQBGJYJN-MRXNPFEDSA-N 323.437 -0.203 30 20 DBED C[C@H]1C[C@@H](C(=O)NCC2(NCC(=O)NCC#N)CCC2)CO1 1754990998 VINUZCVIJSRLCL-NWDGAFQWSA-N 308.382 -0.320 30 20 DBED CNC(=O)CCCC(=O)N1CC[C@H](N2CCN(CC#N)CC2)C1 1755016658 DLWZKRQICDQNAZ-AWEZNQCLSA-N 321.425 -0.355 30 20 DBED C=C(C)CN1CCN([C@H]2CCN(C(=O)CNC(=O)NC)C2)CC1 1755019286 IXJBWVINQZBISM-AWEZNQCLSA-N 323.441 -0.290 30 20 DBED C=CCOCC(=O)N1CCOC2(CN(Cc3cn(C)nn3)C2)C1 1755048965 AGYADIWBMJNTLI-UHFFFAOYSA-N 321.381 -0.569 30 20 DBED CC#CCN(C)[C@@H](C)CNC(=O)[C@@H](C)NS(=O)(=O)CC 1755302974 JMDVPBICRKHPFM-NWDGAFQWSA-N 303.428 -0.226 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@@H](O)CN(C)C(=O)c1cc(C)no1 1755773704 UZSPLTOYGHTRAI-NWDGAFQWSA-N 322.365 -0.857 30 20 DBED C=CCNC[C@@H](NC(=O)CNS(=O)(=O)NC)C(C)(C)C 1755828838 RGCCJRXUBJHMAU-SNVBAGLBSA-N 306.432 -0.653 30 20 DBED C=CCNC(=O)CNC1CC(N(C)C(=O)CNC(=O)CC)C1 1755853935 OYARKNIOPARWHW-UHFFFAOYSA-N 310.398 -0.606 30 20 DBED C=CCOCC(=O)N[C@H](C)CN(C)C(=O)[C@H](C)S(C)(=O)=O 1756468025 FQOFCEUOARYRQP-MNOVXSKESA-N 320.411 -0.415 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](CO)CNC(=O)c1cocn1 1756517379 GHCZNMSXLIBBES-GVXVVHGQSA-N 323.349 -0.137 30 20 DBED C=CCOCC(=O)NC[C@@H](CO)NC(=O)c1onc(C)c1C 1756518983 QFLVSNYYHJIBFH-NSHDSACASA-N 311.338 -0.299 30 20 DBED C=CCOCC(=O)NC[C@@H](O)CN(C)C(=O)[C@@H]1CCCO1 1756649195 HUAMCAJFRRNSQN-NEPJUHHUSA-N 300.355 -0.697 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC[C@H](NC(=O)Cn2cnnn2)[C@H]1C 1757498387 YAQVWWSOSHPIBO-SUNKGSAMSA-N 322.369 -0.894 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@H](NC(=O)CC(=O)NCC)[C@H]1C 1757506713 BINMFWUCPLCFKL-AGIUHOORSA-N 323.393 -0.344 30 20 DBED C=CCOCC(=O)N1CC[C@@H](NC(=O)C2=COCCC2)[C@@H](O)C1 1757560979 BTGSCMVEUFMRIF-KGLIPLIRSA-N 324.377 -0.039 30 20 DBED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3C[C@@H]3F)C2)C1 1782937494 LJWQEDCZEKXJGE-PGUXBMHVSA-N 324.308 -0.738 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)NC(=O)CC)CCO2 1783047187 ZDWXRUSAMJPAPQ-LRDDRELGSA-N 321.377 -0.636 30 20 DBED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3cc[nH]n3)[C@H]2C1 1790659543 ZELNDDGQIARICN-UBHSHLNASA-N 316.361 -0.435 30 20 DBED CC[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC#N)C2 1792861961 BLBQXTRKCMSOSV-GFQSEFKGSA-N 309.366 -0.349 30 20 DBED CO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CC1 1795412545 OGRFRUPWZLMTKV-RVMXOQNASA-N 321.377 -0.085 30 20 DBED N#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCOC1)C2 1795421148 XXPKYYRVFNAEAW-GUIRCDHDSA-N 321.377 -0.084 30 20 DBED N#CCC(=O)NC[C@@H]1CCN(C(=O)CN)[C@H]1c1cccnc1 1806279514 MDXOUZHWFZUJPK-WFASDCNBSA-N 301.350 -0.040 30 20 DBED C[C@@H](C(=O)N1CC2(CCCN2C(=O)CCC#N)C1)n1cnnn1 1842814913 PDTPFAVOIUVNLT-NSHDSACASA-N 317.353 -0.259 30 20 DBED C[C@H](S)C(=O)N1CCCC12CN(C(=O)c1ncnn1C)C2 1846367376 PTTYLCSSJFQCED-VIFPVBQESA-N 309.395 -0.050 30 20 DBED Cn1cc(C#N)c(=O)n(CC(=O)N[C@](C)(C#N)C2CC2)c1=O 11263512 CKADCWHKWIURKE-CQSZACIVSA-N 301.306 -0.773 30 20 DBED Cn1c(NCCC(=O)N2CCCCC2)c(C#N)c(=O)n(C)c1=O 52427357 NBZODAVMDQGZIV-UHFFFAOYSA-N 319.365 -0.230 30 20 DBED COCCCOCCN(C)c1c(C#N)c(=O)n(C)c(=O)n1C 91023764 YYRVKYYYDKZHIH-UHFFFAOYSA-N 310.354 -0.555 30 20 DBED CC(C)[C@@H](C#N)N1CCN(C(=O)CN(C)Cc2nnc[nH]2)CC1 180707171 XBRXFAPHTFXWMT-CYBMUJFWSA-N 319.413 -0.071 30 20 DBED CN/C(=N\CCS(=O)(=O)N1CCSCC1)NC1CC1 263119663 CXSGDUNJHMTUAT-UHFFFAOYSA-N 306.457 -0.308 30 20 DBED COCCNC(=O)CN1CCN(c2cnccc2C#N)CC1 269975307 PLZVYQBIZMHNOP-UHFFFAOYSA-N 303.366 -0.162 30 20 DBED C=C(C)CNC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 275050212 SOYNMMMMCALMRX-JTQLQIEISA-N 313.379 -0.156 30 20 DBED C=CCN(C)C(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 275064634 XHMUZQXHYFRGBI-SNVBAGLBSA-N 313.379 -0.204 30 20 DBED CNC(=O)CN1CCN(S(=O)(=O)c2ccc(C#N)o2)CC1 286463389 BBQZQGJBGZCTPX-UHFFFAOYSA-N 312.351 -0.796 30 20 DBED C[C@H](CN1CCCC1=O)N/C(O)=N/C[C@H]1CN(C)CCN1C 329505818 ZMNQGTQWBSGDPV-OLZOCXBDSA-N 311.430 -0.253 30 20 DBED CN1CCO[C@@H]2CN(/C(O)=N/[C@H]3CCCS(=O)(=O)C3)C[C@@H]21 329656100 MIVDOIVEDUTLRI-SDDRHHMPSA-N 317.411 -0.508 30 20 DBED CN1CC[C@H](/N=C(/O)N(C)[C@@H]2CCN(S(C)(=O)=O)C2)C1=O 330122637 AIVLJYOBKKAMGF-ZJUUUORDSA-N 318.399 -0.903 30 20 DBED CN1CCN(CC2(C)CCN(CC(=O)NCC#N)CC2)CC1 330834344 HTXYJZIZLDNFPL-UHFFFAOYSA-N 307.442 -0.024 30 20 DBED CC/N=C(/O)NC(=O)CN1CCC([C@H](O)C(=O)OC)CC1 331265461 HNELUSYTBYUDHL-NSHDSACASA-N 301.343 -0.718 30 20 DBED Cn1cc(N2CC[C@@H](NS(=O)(=O)CCCC#N)C2=O)cn1 332380427 OEXKGDCGRTYPDQ-LLVKDONJSA-N 311.367 -0.251 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H](C)C(=O)NCCF 337180148 AHEQNMIITYBZSP-NXEZZACHSA-N 308.379 -0.223 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC[C@]2(C)CCCO2)C1=O 347160898 IJMNGAYIQXFMGY-LRDDRELGSA-N 323.393 -0.083 30 20 DBED C=CCOC[C@H](NC(=O)c1cccn2c(O)nnc12)C(=O)OC 360743957 HHSTUWZFXDDCCG-JTQLQIEISA-N 320.305 -0.091 30 20 DBED C=CCCn1cc(C(=O)N(CC(=O)OC)CC(=O)OC)nn1 424644435 QXUJECBMOQZDBM-UHFFFAOYSA-N 310.310 -0.358 30 20 DBED C#CCNC(=O)CN1CCN(CC(=O)N[C@@H](C)C(C)C)CC1 491615063 AOAGCWFAMVBNSW-AWEZNQCLSA-N 308.426 -0.486 30 20 DBED C=CCOC[C@@H](NS(=O)(=O)c1cn(C)nc1C)C(=O)O 569337067 ZZVSCOBOQXMQBT-SECBINFHSA-N 303.340 -0.337 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)NCCN1CCCC1=O 572293690 IJHYDHKYKYANDZ-NSHDSACASA-N 302.400 -0.075 30 20 DBED Cn1c(N2CCC[C@@H](CCO)CC2)c(C#N)c(=O)n(C)c1=O 577091407 DREBIUKJQNFPJQ-LLVKDONJSA-N 306.366 -0.055 30 20 DBED CC#CC[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)OC)nc1 592112041 LBRZEFGLMOGSDS-JTQLQIEISA-N 312.347 -0.079 30 20 DBED CC#CC[C@H](CO)NC(=O)C(=O)Nc1cc(C)[nH]c1C(=O)OC 592318321 CNBSFNPUHKSDOF-SNVBAGLBSA-N 321.333 -0.061 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)CN2C(=O)NC3(CCCC3)C2=O)C1 592840643 YMXCMFIQECVSML-CQSZACIVSA-N 320.349 -0.272 30 20 DBED N#C[C@H]1CN(C(=O)[C@H](CO)NC(=O)c2ccc(F)cc2)CCO1 593453188 RTHRZTIJPHYTPC-STQMWFEESA-N 321.308 -0.333 30 20 DBED COC[C@H]1CCCN(C(=O)C(=O)N2CCN(CCC#N)CC2)C1 601456833 ZMVGQEMJDUSODO-AWEZNQCLSA-N 322.409 -0.071 30 20 DBED N#CCCN1CCN(C(=O)[C@@H]2CCc3nnnn3CC2)CC1 602201094 YTBBYPRKCWSUKM-GFCCVEGCSA-N 303.370 -0.317 30 20 DBED COCCN(C)Cc1cn(CC(=O)NC2(C#N)CCC2)nn1 603200267 GKVXAAJQIRGSCM-UHFFFAOYSA-N 306.370 -0.081 30 20 DBED CCOC[C@H](C(=O)OC)N(C)S(=O)(=O)N(C)CCC#N 610931616 OTZFSAVIMIZSMB-SNVBAGLBSA-N 307.372 -0.413 30 20 DBED COCCN(CCC#N)C(=O)C(=O)Nc1cncnc1N(C)C 615253805 FWBNBBJUUWGGIR-UHFFFAOYSA-N 320.353 -0.130 30 20 DBED CC#CC[C@H](CO)NC(=O)c1cccc(CS(N)(=O)=O)c1 649188463 KYSABMYCBQOZNP-CYBMUJFWSA-N 310.375 -0.021 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCCN(S(C)(=O)=O)CC1 730274734 LXPBZGDHGBOWCZ-ZDUSSCGKSA-N 313.423 -0.422 30 20 DBED C=CCNC(=O)[C@@H](C)OC(=O)c1coc(S(N)(=O)=O)c1 757759721 FJQOQHZGDPWKEJ-SSDOTTSWSA-N 302.308 -0.226 30 20 DBED CC(=O)N(C)CC(=O)NS(=O)(=O)c1cccc(F)c1C#N 781599511 URZOMFYIISDWQS-UHFFFAOYSA-N 313.310 -0.019 30 20 DBED C=CCS(=O)(=O)CCNS(=O)(=O)N(CC)C[C@@H](C)C#N 800107344 OTCSKOBAEPJFOK-NSHDSACASA-N 323.440 -0.097 30 20 DBED C#C[C@@H](NS(=O)(=O)N(CCC#N)CCOC)[C@@H]1CCCO1 800114043 XQWGHIQMKPPFAJ-OLZOCXBDSA-N 315.395 -0.136 30 20 DBED COc1cc(C=O)ccc1OCC(=O)NCC(=O)NCC#N 804820903 RFGLPPUGCLBVFE-UHFFFAOYSA-N 305.290 -0.358 30 20 DBED COC(=O)N1CCC[C@@H](NC(=O)NCCn2cnc(C#N)n2)C1 805051224 UBJJXNFIPDYFAI-SNVBAGLBSA-N 321.341 -0.320 30 20 DBED C#C[C@H](NC(=O)C(=O)N(C)C[C@@H]1CCC[C@@H]1O)[C@H]1CCCO1 809309142 DHMPDINPXPXLBM-XDQVBPFNSA-N 308.378 -0.097 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)NCCN1CCCC1=O 829757041 HIUCSRYBQACRIF-UHFFFAOYSA-N 309.366 -0.777 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)OCCN(C)S(=O)(=O)N(C)C 835150382 YTABPGLSBBMRDK-MNOVXSKESA-N 306.384 -0.141 30 20 DBED C#CC[C@H](NC(=O)[C@H]1COCCN1CC(F)(F)F)C(=O)OC 837945976 CNAFXRHURUOCBS-VHSXEESVSA-N 322.283 -0.069 30 20 DBED CC(C)[C@@](C)(C#N)NC(=O)COC(=O)[C@H]1CCS(=O)(=O)N1 845366304 IBOSMQULFQYYTO-BXKDBHETSA-N 317.367 -0.724 30 20 DBED Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)O[C@H]1CNOC1 845932998 OWDPSZPNGZRKJU-NSHDSACASA-N 318.399 -0.330 30 20 DBED C#CC[C@H](NC(=O)C1=C(C)N(C)c2nnnn2[C@@H]1C)C(=O)OC 848219475 AGJNICBMNWKCKN-ZJUUUORDSA-N 318.337 -0.361 30 20 DBED C#CCNC(=O)[C@@H](C)OC(=O)[C@@H]1CCCN1S(C)(=O)=O 856531744 DPDNFQMBDUERTD-ZJUUUORDSA-N 302.352 -0.909 30 20 DBED C#CCNCC(=O)NCc1ccc(CS(=O)(=O)NC)cc1 857577245 XCXWTRKXGPZUSI-UHFFFAOYSA-N 309.391 -0.425 30 20 DBED N#CCCN1CCN(C(=O)CN2CCCCS2(=O)=O)CC1 881439046 CTYAVRNENQXRMS-UHFFFAOYSA-N 314.411 -0.530 30 20 DBED C#CCN1CCC[C@H](NC(=O)N[C@H]2CCc3nnnn3CC2)C1 889257098 JRQIHMWNKREPAZ-STQMWFEESA-N 317.397 -0.225 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)NCC2(C)CC2)CC1 893412970 RFHWFRIVTQZYEX-UHFFFAOYSA-N 314.411 -0.419 30 20 DBED C#CCN(CC(=O)NCCN1CCNC1=O)C(=O)OC(C)(C)C 899470966 MIMZAJCEMDQALN-UHFFFAOYSA-N 324.381 -0.002 30 20 DBED C#C[C@H](NC(=O)C(=O)NCC1CC2(C1)OCCO2)[C@@H]1CCCO1 930471983 ZUEIAKZYOQGCGR-STQMWFEESA-N 322.361 -0.447 30 20 DBED Cc1c(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)[C@H](C)C#N)nnn1C 936712459 ZZFGYEDDHVTNBU-MIMYLULJSA-N 302.338 -0.292 30 20 DBED CO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1NC(=O)Cn1ccnc1 942547463 COOPFFLPTRNPBQ-IJLUTSLNSA-N 305.338 -0.615 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@H](CNC(=O)c2cnnc(O)c2)C1 944634814 HBYSPMTVGKELFN-MWLCHTKSSA-N 319.321 -0.701 30 20 DBED N#Cc1cc(C(=O)NC[C@H]2CCCC[C@@H]2NC(=O)C(N)=O)c[nH]1 946429065 ZFTSRTYDGZQYDG-SKDRFNHKSA-N 317.349 -0.224 30 20 DBED N#CCN1CCC2(CC1)CN(C(=O)[C@H]1CC[C@H]1C(N)=O)CCO2 949154110 PEDOMXTUIPVRBF-OLZOCXBDSA-N 320.393 -0.285 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CNC(=O)[C@@H]2CNC(=O)N2)CC1 949387699 QYQFIAUZLOVSAS-KOLCDFICSA-N 307.354 -0.818 30 20 DBED CN1CC[C@@H](C(=O)N2CCC3(CC2)CN(CC#N)CCO3)C1=O 949441462 VOQABLCFNQTWRZ-CYBMUJFWSA-N 320.393 -0.318 30 20 DBED Cc1nn[nH]c1C(=O)N1CC[C@H]1CNC(=O)c1c[nH]c(C#N)c1 949486519 YWMRQFDWBSRORH-NSHDSACASA-N 313.321 -0.043 30 20 DBED C#Cc1ccc(C(=O)N(C)C2CN(C(=O)c3nc[nH]n3)C2)cn1 954913463 VKFOQMFBWVPPCV-UHFFFAOYSA-N 310.317 -0.222 30 20 DBED C#CCCN1CC(N(CC)C(=O)[C@@H]2COCCN2C(C)=O)C1 957407804 CVZBTTFMIPTXJK-HNNXBMFYSA-N 307.394 -0.210 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2cnn(CCOC)c2C)C1 958069668 OWSKSAJLZLKWMW-HIFRSBDPSA-N 320.393 -0.506 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2ccnn2CC(F)F)C1 958069680 OYNFVRXOZLSNJE-PWSUYJOCSA-N 312.320 -0.196 30 20 DBED C#CCCN1C[C@H](O)[C@H](CNC(=O)c2cn3c(n2)COCC3)C1 958179224 KCAWIJXTZLTGPO-OCCSQVGLSA-N 318.377 -0.541 30 20 DBED Cn1ncnc1CN1C[C@H]2[C@H](NC(=O)c3c[nH]c(C#N)c3)[C@H]2C1 958618579 UOAPGUWVSUXZQS-IMRBUKKESA-N 311.349 -0.125 30 20 DBED Cc1n[nH]cc1C(=O)N(C)[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 958908548 KUCOPSNPBNEXIE-KBPBESRZSA-N 316.361 -0.225 30 20 DBED C#CCN1C[C@H]2[C@H](NC(=O)c3cccc(OCC(N)=O)c3)[C@H]2C1 960183292 POYJKNUALCZLRT-FOLVSLTJSA-N 313.357 -0.156 30 20 DBED C#Cc1cncc(C(=O)N[C@H]2CCCN(C(=O)C(N)=O)CC2)c1 965166749 FEQFYPRYKLVNPT-ZDUSSCGKSA-N 314.345 -0.341 30 20 DBED C#CCCN1CC[C@H](C)[C@@H](NC(=O)CN2CCOCC2=O)C1 966751721 LKYLTHZTSQYTQD-KBPBESRZSA-N 307.394 -0.305 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H](N(C)C(=O)Cn2cnnn2)CC1 967472873 PTLCDMZKUYIFOW-VXGBXAGGSA-N 319.369 -0.328 30 20 DBED C=CCN1C[C@H]2CC[C@H]1CN2C(=O)[C@@H]1CCN(C)S1(=O)=O 971911594 HOGBHTUAMPKKIB-XQQFMLRXSA-N 313.423 -0.119 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)Cc3n[nH]c(C)n3)C2)C1 972374984 SXQKRUBYGMKUKN-HNNXBMFYSA-N 303.366 -0.408 30 20 DBED C=CCn1cc(C(=O)NCC2[C@@H]3CN(CC(=O)NC)C[C@@H]23)nn1 978818248 OSYVUQBHQIIVJR-RYUDHWBXSA-N 318.381 -0.882 30 20 DBED N#CCN1CCCN(C(=O)c2ccc(S(N)(=O)=O)o2)CC1 981542036 HJXSPFRMVBPJPU-UHFFFAOYSA-N 312.351 -0.402 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](CNC(=O)c2cn(C)c(=O)n2C)C1 983219755 DQEBKWRRSWKQRE-WDEREUQCSA-N 319.365 -0.538 30 20 DBED C#CCN(C)C1CCN(C(=O)[C@@H]2CN(C(C)=O)CCO2)CC1 985775960 LVEUKIPJBMUTGI-HNNXBMFYSA-N 307.394 -0.210 30 20 DBED N#CCN[C@@H]1CCC[C@@H]2CN(C(=O)C3CC(=O)NC(=O)C3)C[C@H]21 992832178 KVHMBZJNZABMJI-RAIGVLPGSA-N 318.377 -0.221 30 20 DBED C=CCn1cc(C(=O)N(C)C2CC(N[C@H](C)C(N)=O)C2)nn1 999524647 WZBWBYOGNLKTAN-KPPDAEKUSA-N 306.370 -0.470 30 20 DBED C#CCN1CC[C@@H](n2cc(CNC(=O)c3cccnn3)nn2)C1 1000032660 DSMXLHVMZGDQKM-CYBMUJFWSA-N 311.349 -0.122 30 20 DBED CC#CCN1CC=C(CNC(=O)c2nnc(O)nc2O)CC1 1000909097 ORKYCIPLOWRMBH-UHFFFAOYSA-N 303.322 -0.332 30 20 DBED COc1ccc(C(=O)NCC2CN(C(=O)[C@@H](C)C#N)C2)nn1 1004321497 ZINLXSCLVABFCD-VIFPVBQESA-N 303.322 -0.167 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@H](C)[C@@H](NC(=O)C(N)=O)C2)cn1 1005218921 SRNUKODOKRPMTN-GWCFXTLKSA-N 314.345 -0.485 30 20 DBED Cn1cc(CCC(=O)N2CCN(C(=O)C#CC3CC3)CC2)nn1 1011107985 WRRQDDCNYMMSCR-UHFFFAOYSA-N 315.377 -0.168 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2C(NC(=O)c3ccn(C)c(=O)c3)[C@H]2C1 1013371793 DKDNJWBGXQGDOU-USWWRNFRSA-N 314.345 -0.268 30 20 DBED C=C1CC(C)(C(=O)NC2[C@@H]3CN(C(=O)[C@H]4CNC(=O)N4)C[C@@H]23)C1 1013746743 SPNLEUHUMGMTOR-GMTAPVOTSA-N 318.377 -0.403 30 20 DBED C=C(Cl)CN1CC[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 1015773978 SBRBWJGZBVUIOQ-IUCAKERBSA-N 300.746 -0.473 30 20 DBED CC#CCN1CCC2(CC1)C[C@H]2NC(=O)c1nnc(O)nc1O 1016713186 UAVLXJUFBVOOQQ-SNVBAGLBSA-N 317.349 -0.110 30 20 DBED C#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1nc2ncccn2n1 1018266913 UIFQICGEJDCKKI-BETUJISGSA-N 310.361 -0.025 30 20 DBED C[C@@H](C#N)C(=O)N1CCCO[C@@H](CNC(=O)c2ccnn2C)C1 1019547383 ZMSVZKWDURFCBY-RYUDHWBXSA-N 319.365 -0.073 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@@H](N[C@@H](CC)C(N)=O)C1 1022221513 HUESTCKVDLCTEU-CRWXNKLISA-N 306.410 -0.415 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)c3cc(C)ncn3)C2)C1=O 1030231147 GNRLAQDBULDJHH-AWEZNQCLSA-N 315.377 -0.014 30 20 DBED C=CCN1CC[C@@H](N2CC(CNC(=O)c3cnsn3)C2)C1=O 1031563993 YDXVHHDVUJZSFA-GFCCVEGCSA-N 321.406 -0.013 30 20 DBED C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)Cn1ccc(O)nc1=O 1032503740 PPDUIDAZSYREEM-RYUDHWBXSA-N 304.350 -0.190 30 20 DBED C#CCN1CCC2(CCN(C(=O)CN3CCOCC3=O)CC2)C1 1035194405 LUCUWXJRTLATRG-UHFFFAOYSA-N 319.405 -0.207 30 20 DBED CNC(=O)[C@@H](C)N1CCO[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 1035338652 PSWDMORGAHGMIP-ZWNOBZJWSA-N 319.365 -0.549 30 20 DBED C#CCCN1CCO[C@@H](CNC(=O)c2cnc(N(C)C)cn2)C1 1035369498 DILUIKZUAIFOQZ-ZDUSSCGKSA-N 317.393 -0.004 30 20 DBED Cn1cnc2cc(C(=O)NC[C@@H]3CN(CC#N)CCO3)cnc21 1035468267 XRJLWYFEKSGZPK-GFCCVEGCSA-N 314.349 -0.078 30 20 DBED C=CCN[C@H]1CCN(C(=O)CN2C(=O)CN(C)C2=O)C[C@H]1C 1036287574 WPURGHBBPOYCMF-NEPJUHHUSA-N 308.382 -0.107 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)Cc2ccn(C)n2)C1 1039696675 DRMUKSOKLGYIGR-XHDPSFHLSA-N 319.365 -0.798 30 20 DBED N#Cc1nc(=NC[C@@H]2C[C@H]3CC[C@H]2N(C(=O)C(N)=O)C3)cc[nH]1 1040020264 FYSQBTBCSDBCAM-OUAUKWLOSA-N 314.349 -0.706 30 20 DBED N#CCN1CCC[C@@]2(CCN(C(=O)CCn3cnnn3)C2)C1 1040469347 ZWWKWYMOFKKZBX-CQSZACIVSA-N 303.370 -0.099 30 20 DBED Cc1ncc(C(=O)NC[C@@]2(O)CCN(C(=O)[C@H](C)C#N)C2)n1C 1040654623 VBNBGVHOIHKACD-BMIGLBTASA-N 319.365 -0.419 30 20 DBED C=CCCCC(=O)NC[C@]1(O)CCN(C(=O)Cn2nccn2)C1 1040729463 PTGQAEYFJOHLOW-OAHLLOKOSA-N 321.381 -0.286 30 20 DBED CC(C)(C)C#CC(=O)N1CC(O)(CNC(=O)[C@@H]2CCCO2)C1 1041350849 SVHPVKKEWHNWSE-LBPRGKRZSA-N 308.378 -0.096 30 20 DBED CC#CCN1CC[C@@]2(CCN(C(=O)CN3CCOCC3=O)C2)C1 1041361631 BHTYSNJJEGLFAH-QGZVFWFLSA-N 319.405 -0.207 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)Cn2cc(C)cn2)C1 1042040167 PLJCGEDVQPFOJD-UHFFFAOYSA-N 322.365 -0.916 30 20 DBED N#Cc1cc(C(=O)NCC2(O)CN(C(=O)[C@@H]3CC34CC4)C2)c[nH]1 1042672335 MJURYFJAOWFJOD-LBPRGKRZSA-N 314.345 -0.010 30 20 DBED CO[C@@H]1CN(c2ncc(C#N)cc2Cl)C[C@H]1NC(=O)C(N)=O 1042956408 OWARPLXFXLKLDT-NXEZZACHSA-N 323.740 -0.588 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)[C@@H](OC)C2CC2)C1 1043039355 FODHLFIHYGDTRG-AAEUAGOBSA-N 324.377 -0.861 30 20 DBED C=C[C@H](C)[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2[nH]nnc2C)C1 1044985830 NBTNLRFJSZRCIJ-VHSXEESVSA-N 321.381 -0.126 30 20 DBED CC(C)N1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)[C@H](C)C#N)C1 1045553006 ZDGLYEYZJUOIFK-CHWSQXEVSA-N 322.409 -0.292 30 20 DBED C=C(C)CN1CC[C@@](C)(NC(=O)[C@H]2CCS(=O)(=O)N2)C1 1046844530 QBNGGYJSTSWSOY-DGCLKSJQSA-N 301.412 -0.165 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@@H](N(C)C(=O)Cn2cnnc2O)C1 1047354334 CFBYPXHWDFKCKY-UWVGGRQHSA-N 315.761 -0.760 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CN3CCC2CC3)C1 1047381590 ODKMJXQBXODVHR-JYJNAYRXSA-N 305.422 -0.145 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2ncccc2NC(C)=O)C1 1047405862 YZGJBNZRTAWTKW-KBPBESRZSA-N 316.361 -0.210 30 20 DBED C=C[C@@](C)(O)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C(C)(F)F)C1 1048010502 GUGWHOUYUCGGJG-OUJBWJOFSA-N 320.336 -0.001 30 20 DBED C=CCOCC(=O)N(C)[C@H]1CN(C(=O)[C@H](F)CC)C[C@@H]1O 1048558333 QHZHLDAKWVRBIC-WOPDTQHZSA-N 302.346 -0.033 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H]([C@H](C)NC(=O)COC)C1 1050489434 CBOCLTNVVWXGHQ-NWDGAFQWSA-N 309.366 -0.875 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2COCCN2CCOC)nn1 1051153011 PEKFPTDORMHLBE-GFCCVEGCSA-N 309.370 -0.459 30 20 DBED Cn1cc(C(=O)N2CC[C@H](N3CCN(CC#N)CC3)C2)cn1 1051976812 AVXDQAOSEDZHPQ-AWEZNQCLSA-N 302.382 -0.224 30 20 DBED C=C(Cl)CN1CCN([C@@H]2CCN(C(=O)C(N)=O)C2)CC1 1052073756 NYLJANKUQPECJQ-LLVKDONJSA-N 300.790 -0.557 30 20 DBED C=CCOCC(=O)N1C[C@H](C)[C@H](CNC(=O)c2nc[nH]n2)C1 1052221496 RAKOVUBMDPPLPH-WDEREUQCSA-N 307.354 -0.168 30 20 DBED C[C@]12CN(C(=O)C(N)=O)C[C@H]1CN(c1ncc(C#N)cc1F)C2 1052546368 MYVPJBCEWIPJFA-BMIGLBTASA-N 317.324 -0.138 30 20 DBED C#CCN1CC2(C1)CN(C(=O)c1ccnc3[nH]nnc13)CCO2 1053335740 LAXMSGOONQSIHZ-UHFFFAOYSA-N 312.333 -0.487 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)c3cn(C)c(C)cc3=O)CO2)C1 1053834946 BBPJWWYDPFVYRE-CYBMUJFWSA-N 315.373 -0.100 30 20 DBED C=CCN1CC2(C[C@@H](NC(=O)[C@H](C)N3CCOCC3)CO2)C1 1054026142 QSBQJBCIBRPFQQ-UONOGXRCSA-N 309.410 -0.147 30 20 DBED C=C(C)C[C@H](C)C(=O)NC1CCN(CCNC(=O)C(N)=O)CC1 1055629733 IOLIHXOXEZDLDR-LBPRGKRZSA-N 324.425 -0.229 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@]1(CO)CCCN(C(=O)COC)C1 1055986289 IBVDTQPFUQGXGM-DOMZBBRYSA-N 314.382 -0.306 30 20 DBED N#Cc1cnc(N2C[C@H]3[C@H](NC(=O)Cn4ccnc4)[C@H]3C2)cn1 1056245472 NTTXEEKHBZGGIU-JYAVWHMHSA-N 309.333 -0.204 30 20 DBED CN1CCO[C@H](C(=O)N2CC[C@@H](Nc3nccnc3C#N)C2)C1 1056599818 POPIKOMYKZSJCW-YPMHNXCESA-N 316.365 -0.308 30 20 DBED N#Cc1c[nH]c(C(=O)NCCN(CCO)C(=O)[C@@H]2CCCO2)c1 1056892980 OYRUQKBPRXDYLX-ZDUSSCGKSA-N 320.349 -0.384 30 20 DBED C=CC(C)(C)C(=O)NCCN(CCO)C(=O)c1cnn(C)c1N 1057405785 SOGPOJXJVBKRGD-UHFFFAOYSA-N 323.397 -0.235 30 20 DBED Cc1cn(C)nc1C(=O)NCCN(CCO)C(=O)C#CC(C)C 1057516793 AGBYIEXHCJDBDQ-UHFFFAOYSA-N 320.393 -0.061 30 20 DBED O=C(C[C@H]1CCOC1)NCCN(CCO)C(=O)C#CC1CC1 1057531382 LXSMLYBCPHUANN-CQSZACIVSA-N 308.378 -0.237 30 20 DBED C=CCO[C@H](C)C(=O)N(CCO)CCNC(=O)[C@H](CC)OC 1057921625 LXXNKHUWXZQZPK-OLZOCXBDSA-N 316.398 -0.060 30 20 DBED N#Cc1cncc(N2CC[C@@H](NC(=O)c3cc[n+]([O-])cc3)C2)n1 1058276232 AJBNNINNZIUKIR-GFCCVEGCSA-N 310.317 -0.010 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H]2CCN(c3ccc4nnnn4n3)C2)c1 1058323032 OCENMXCJHONCQU-JTQLQIEISA-N 323.320 -0.272 30 20 DBED Cc1nnc(CC(=O)N[C@@H]2CCN(c3ccc(C#N)nn3)C2)o1 1058347549 YIHVVOVTSRBXFY-LLVKDONJSA-N 313.321 -0.023 30 20 DBED N#Cc1nccnc1N1CC[C@H](NC(=O)[C@@H]2CCC(=O)NC2)C1 1058593950 DTTSHDRWQLNFAB-MNOVXSKESA-N 314.349 -0.431 30 20 DBED COCc1nocc1C(=O)NCCN(CCO)C(=O)[C@H](C)C#N 1058654712 GDKIKTROKWFXKG-SNVBAGLBSA-N 324.337 -0.469 30 20 DBED N#Cc1ccc(N[C@H]2C[C@H](NC(=O)[C@H]3CCNC(=O)C3)C2)nn1 1059184881 URTVIWPTUHDLGC-DLOVCJGASA-N 314.349 -0.066 30 20 DBED C#CCOCCC(=O)NCC[C@H]1CCN(C(=O)CC(N)=O)C1 1059380660 KAAWHLPOXXAFTE-LBPRGKRZSA-N 309.366 -0.744 30 20 DBED N#Cc1nc(=NC[C@@H]2CCN(C(=O)Cn3nccn3)C2)cc[nH]1 1060925538 PVGWQLKTOJSRRH-NSHDSACASA-N 312.337 -0.678 30 20 DBED CN(c1nccnc1C#N)[C@H]1CCCN(C(=O)CC(N)=O)C1 1061181948 CEZWZZPQLFDEOD-JTQLQIEISA-N 302.338 -0.349 30 20 DBED Cn1nncc1C(=O)NC[C@@H]1CCCN1c1cnc(C#N)cn1 1061353540 KXUDVAVTSQOZKL-NSHDSACASA-N 312.337 -0.124 30 20 DBED CCOCC(=O)N1CCOC[C@@H]1CNC(=O)c1c[nH]c(C#N)c1 1061515373 KWNDCMXDHHROIG-ZDUSSCGKSA-N 320.349 -0.120 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)Cc1cncnc1 1061541922 FSXSOYKCPRJPMD-WCQYABFASA-N 317.349 -0.478 30 20 DBED CC(C)[C@@H](O)C(=O)NC[C@@H]1COCCN1C(=O)C#CC1CC1 1061553344 ZQZAOCRTAILJCE-UKRRQHHQSA-N 308.378 -0.240 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1COCCN1C(=O)c1ncn(C)n1 1061565835 AANVAYQYMNJAPQ-GFCCVEGCSA-N 319.365 -0.568 30 20 DBED C#CCCCC(=O)N1CCOC[C@H]1CNC(=O)[C@H]1C[C@H]1C(N)=O 1061905491 GLVCGRSRPVVOFE-UPJWGTAASA-N 321.377 -0.745 30 20 DBED CN(C(=O)[C@H]1CCNC1=O)[C@H]1CCN(c2nccnc2C#N)C1 1063004957 STOBJXQSRXCCLT-QWRGUYRKSA-N 314.349 -0.479 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)c2nnc(O)nc2O)CCC1 1064307145 ZAJAQLHPVFNFHK-ZETCQYMHSA-N 320.309 -0.789 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(C(=O)c2cnccn2)CCO1 1064790200 PYSIOTGYSSCMFJ-ZDUSSCGKSA-N 314.345 -0.153 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)COC(C)C)CCO1 1064936413 DUFDFWLDSFQOTB-CYBMUJFWSA-N 314.382 -0.042 30 20 DBED C[C@]1(NC(=O)[C@H]2CCC(=O)N2)CCN(c2nccnc2C#N)C1 1065223834 IHCGAUZIQNSPNE-BMIGLBTASA-N 314.349 -0.288 30 20 DBED CN(C(=O)c1cn[nH]c1)[C@H]1CN(c2ccc(C#N)cn2)C[C@@H]1O 1065567079 KCEJDRHUJJBVNS-STQMWFEESA-N 312.333 -0.002 30 20 DBED CN(C(=O)c1ccc[nH]1)[C@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1065570146 PSKNEQFHMSKTCX-RYUDHWBXSA-N 312.333 -0.002 30 20 DBED C[C@H]1CN(C(=O)c2cnon2)C[C@H]1CN=c1cc[nH]c(C#N)n1 1065869342 ZDQSSLLLHVZNFM-VHSXEESVSA-N 313.321 -0.027 30 20 DBED C[C@H](C#N)C(=O)N1CC2(C[C@H](NC(=O)CCCN(C)C)CO2)C1 1068988678 HFPSKIDTFDIGSN-OLZOCXBDSA-N 322.409 -0.026 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1COC2(C1)CN(C(=O)CC(=O)N(C)C)C2 1069002798 HSCUZVIKDMJVJX-QWRGUYRKSA-N 322.365 -0.890 30 20 DBED CC#CCN1CCn2ncc(CNC(=O)[C@H]3C[C@H]3C(N)=O)c2C1 1069873915 APJXIXSMFNSVKU-OLZOCXBDSA-N 315.377 -0.540 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCCN(C(=O)CNC(=O)CC)C1 1070562343 VZXGVLYBSZUDTE-CYBMUJFWSA-N 323.393 -0.340 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)C[C@H]4COC(=O)C4)C[C@@]3(C1)O2 1070786832 OWINOSLQTQSEGQ-VMUDFCTBSA-N 318.373 -0.126 30 20 DBED C#CCCN1C[C@H]2C[C@@H]3CN(C(=O)C(C)(C)C(N)=O)C[C@@]3(C1)O2 1070813224 KWPJIUWLFFWACJ-PBFPGSCMSA-N 319.405 -0.177 30 20 DBED C=C(C)CN1CCNC(=O)CCN(C(=O)c2cnon2)CC1 1071010504 OIDBGGUUJGBJJC-UHFFFAOYSA-N 307.354 -0.090 30 20 DBED C#CCCN1CCNC(=O)CCN(C(=O)Cc2ncc[nH]2)CC1 1071010749 VYPADMXKYRHHKL-UHFFFAOYSA-N 317.393 -0.374 30 20 DBED CCn1cc(C(=O)N2CCC(=O)NCCN(CC#N)CC2)nn1 1071011909 XXBPXFBFGDBUHZ-UHFFFAOYSA-N 319.369 -0.914 30 20 DBED C[C@@H]1CN(C(=O)c2cc(=O)n(C)o2)C[C@@]2(CCN(CC#N)C2)O1 1071158841 CBAWXVBAASGMCU-ABAIWWIYSA-N 320.349 -0.193 30 20 DBED N#CCSCC(=O)N[C@@H]1CCCN(C(=O)Cc2nc[nH]n2)C1 1071377989 DCESIALKGCLNAB-SNVBAGLBSA-N 322.394 -0.289 30 20 DBED C[C@@H]1CN(C(=O)CC(=O)N(C)C)C[C@H]1NC(=O)C#CC1CC1 1072130068 RREVAULMUIMJDU-DGCLKSJQSA-N 305.378 -0.159 30 20 DBED CN(C)c1ccc(C(=O)NC[C@H]2CN(CC#N)CCCO2)nn1 1073857099 ZRTWWVRYSNKUFD-LBPRGKRZSA-N 318.381 -0.113 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CCN(C(=O)c2cocn2)CC1 1074517000 TZLZBMDZMUZORP-JTQLQIEISA-N 306.322 -0.082 30 20 DBED C#CCN1C[C@@H]2CCN(C(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)[C@@H]2C1 1076059762 QPMMALOMRQEZTR-YJNKXOJESA-N 319.405 -0.035 30 20 DBED N#CCN1C[C@@H]2CCN(C(=O)Cc3nc4ncccn4n3)[C@@H]2C1 1076569318 RNEKKFOBHVMRBW-NWDGAFQWSA-N 311.349 -0.277 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2COc3ccccc3C2)C1 1077342158 ZUVCQJBQKIHDAZ-BFHYXJOUSA-N 301.346 -0.077 30 20 DBED C#Cc1ccccc1CC(=O)N[C@@H]1CN(C[C@H](C)O)C[C@H]1O 1078082836 WUORFORRYVHWMK-APHBMKBZSA-N 302.374 -0.248 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@H](C)NC(=O)Cn1cncn1 1078536813 GIWQHMBVSMFHSS-XQQFMLRXSA-N 321.381 -0.120 30 20 DBED C#CCN[C@H]1C[C@@H](NC(=O)Cn2c(O)nnc2O)C12CCC2 1078793849 BPTPLMSCYVDKRN-VHSXEESVSA-N 305.338 -0.661 30 20 DBED C#CCCCCC(=O)N(CC)C1CN(C(=O)[C@H]2CNC(=O)N2)C1 1079640813 KJDIGJVVOVKWDX-CYBMUJFWSA-N 320.393 -0.079 30 20 DBED C#CCCN1C[C@@H](NC(=O)Cn2ccc(O)nc2=O)[C@H](C)C1 1080061436 TZEFAWODFOVGPA-VXGBXAGGSA-N 304.350 -0.591 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1O 1081462805 FQKSQYDXEMXDDM-QWRGUYRKSA-N 305.338 -0.987 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)c2cn(C)c(=O)cn2)C1 1083653821 GFUPTPMPUBZAFZ-KOLCDFICSA-N 312.757 -0.692 30 20 DBED Cc1nc2c(C(=O)N[C@@H]3CN(CC#N)C[C@@H]3O)ccnc2[nH]1 1083659340 VMZGIPXTCOLIHQ-MNOVXSKESA-N 300.322 -0.435 30 20 DBED N#CCN1C[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)CC2(CCOCC2)C1 1089959921 UMTRCACIWLKMFN-UPJWGTAASA-N 320.393 -0.381 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2cn(C)nc2COC)[C@@H](O)C1 1090371470 KQPIRJUVMZDNPJ-ZFWWWQNUSA-N 320.393 -0.245 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2cnc(OC)nc2)[C@@H](O)C1 1090697180 DEBBWKJPLKHEPW-STQMWFEESA-N 304.350 -0.327 30 20 DBED Cn1nc2c(c1C(=O)N[C@@H]1CCN(CC#N)C[C@H]1O)CCC2 1090724212 GYZOVRBAFMHICJ-CHWSQXEVSA-N 303.366 -0.403 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2cnn(CCOC)c2)[C@H](O)C1 1090767146 HWHSJBPZPVYDMX-LSDHHAIUSA-N 320.393 -0.282 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1[C@@H]2CN(c3nccnc3F)C[C@@H]21 1093265642 JMPOLOATGCFNRO-IWIIMEHWSA-N 317.324 -0.694 30 20 DBED CC(C)(C(N)=O)C(=O)NC1[C@@H]2CN(c3ccnc(C#N)n3)C[C@@H]12 1093317472 ZPYFOYMRXIOCEB-RKDXNWHRSA-N 314.349 -0.589 30 20 DBED COc1c(C(=O)NCCNc2ccc(C#N)nn2)cnn1C 1093790493 OBQBBVFSBMMACX-UHFFFAOYSA-N 301.310 -0.068 30 20 DBED C#CCN1CC(n2cc(CNC(=O)c3coc(C)n3)nn2)C1 1094286746 PEPVZUXAVAIALW-UHFFFAOYSA-N 300.322 -0.006 30 20 DBED Cc1cc(C(=O)N[C@H]2CC(=O)N(C3CN(CC#N)C3)C2)cnn1 1094729477 DOLISWLUWAVURQ-LBPRGKRZSA-N 314.349 -0.677 30 20 DBED N#Cc1nc(=NC2CCN(C(=O)CCCC(N)=O)CC2)cc[nH]1 1095232018 FCCFEJROOZQHDD-UHFFFAOYSA-N 316.365 -0.171 30 20 DBED CN(CCCNC(=O)[C@H]1CCNC1=O)c1nccnc1C#N 1095696574 GCHSPZOZBVTNSQ-SNVBAGLBSA-N 302.338 -0.573 30 20 DBED CN(CCCNC(=O)[C@@H]1CCC(=O)NC1)c1ccnc(C#N)n1 1095777696 PNKRSHONXSTALI-LLVKDONJSA-N 316.365 -0.183 30 20 DBED N#Cc1nccnc1N[C@H](CNC(=O)CNC(N)=O)C1CC1 1096566672 ZPWFGIREJACASW-SNVBAGLBSA-N 303.326 -0.677 30 20 DBED CN1C(=O)CN(CC(=O)N[C@]23CCC[C@H]2CN(CC#N)C3)C1=O 1099117202 AYYSCHFRVOERRQ-NHYWBVRUSA-N 319.365 -0.625 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)CCc2cnn[nH]2)[C@H](O)C1 1100011585 RNTBWHSSHJTKEW-UONOGXRCSA-N 323.397 -0.509 30 20 DBED CC(C)CCC(=O)NCC(=O)N[C@@H]1CCN(CC#N)C[C@@H]1O 1100037169 VIYCZMGKLZBLKC-OLZOCXBDSA-N 310.398 -0.386 30 20 DBED CCN(CCNC(=O)[C@H]1C[C@H]1C(N)=O)c1nc(C)cc(C#N)n1 1100719835 SZWGYCZARBRJCQ-NEPJUHHUSA-N 316.365 -0.279 30 20 DBED CC(=O)N[C@H](C)C(=O)NC[C@@H]1CCCN1c1ccnc(C#N)n1 1100776417 HMCUUAHXCRXNSZ-PWSUYJOCSA-N 316.365 -0.042 30 20 DBED CCNC(=O)CC(=O)NCCN(c1nccnc1C#N)C1CC1 1101317764 QCEQAWWPZMVZDK-UHFFFAOYSA-N 316.365 -0.041 30 20 DBED Cc1cc(=NCCN(C)C(=O)[C@H]2COC(=O)N2)c(C#N)c[nH]1 1101572203 KWJWDHVRTGZIFW-GFCCVEGCSA-N 303.322 -0.338 30 20 DBED CN(CCN=c1cc[nH]cc1C#N)C(=O)CN1CCCNC1=O 1102036465 LZUOLLPJXJSIDT-UHFFFAOYSA-N 316.365 -0.339 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)c1ccnc2[nH]nnc12 1102048071 GCWDYJHYYRNHDN-UHFFFAOYSA-N 323.320 -0.379 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)c2ncccn2)C1 1102474565 ALDOJRPWFYYDHQ-CHWSQXEVSA-N 315.377 -0.476 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 1103431493 FEXWOHGRQGMGDH-FVCCEPFGSA-N 308.382 -0.383 30 20 DBED C#CCN1C[C@@H](C)[C@H](CCNC(=O)CN2C(=O)CNC2=O)C1 1103703937 LXEMKRALPZPOGB-VXGBXAGGSA-N 306.366 -0.754 30 20 DBED C[C@H](NC(N)=O)C(=O)N1CCC[C@@H]1CNc1cncc(C#N)n1 1103800935 JALDMIKLOFHBMQ-GXSJLCMTSA-N 317.353 -0.192 30 20 DBED C[C@H](CNC(=O)Cn1ncnn1)CNc1cncc(C#N)n1 1104095571 ZJGNNLVHIMHWOX-VIFPVBQESA-N 301.314 -0.801 30 20 DBED C[C@@H](CNc1cnc(C#N)cn1)N(C)C(=O)Cn1cnnn1 1104447724 LYZDWWWBKHRUDX-VIFPVBQESA-N 301.314 -0.706 30 20 DBED C[C@H](NC(N)=O)C(=O)N(C)[C@H](C)CNc1cncc(C#N)n1 1104535093 KRUOCNYBUWRRHX-BDAKNGLRSA-N 305.342 -0.336 30 20 DBED C#CCNC(=O)CC(=O)N(C)CCN(C)c1nccnc1F 1105369356 ZFTSIKKEQWDCBM-UHFFFAOYSA-N 307.329 -0.350 30 20 DBED CN(CCN(C)c1ccnc(C#N)n1)C(=O)[C@H]1CC[C@H]1C(N)=O 1105521114 BNCSVCZNOBFAJI-MNOVXSKESA-N 316.365 -0.246 30 20 DBED CN1CCC[C@H]1C(=O)NC[C@@H](O)CNc1ccc(C#N)nc1 1105756656 XUKHZULRKXTSJQ-KBPBESRZSA-N 303.366 -0.064 30 20 DBED COCCCOCC(=O)NC[C@H](O)CNc1ccc(C#N)nc1 1105959722 QQCGCXOYOYHPQY-CQSZACIVSA-N 322.365 -0.105 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)[C@@]23COC[C@@H]2C3)C[C@H]1C 1106152419 TXWVFJJXDCXVPU-WVZRYYJFSA-N 319.405 -0.544 30 20 DBED CCNC(=O)CCC(=O)N[C@H](C)CCN=c1cc[nH]c(C#N)n1 1106239746 XRIWHTVHGOYZEA-LLVKDONJSA-N 318.381 -0.007 30 20 DBED Cc1nc(CC(=O)NC/C=C\CN=c2cc[nH]c(C#N)n2)n[nH]1 1107154373 CLSLXVFALDHMNP-IHWYPQMZSA-N 312.337 -0.476 30 20 DBED CNC(=O)CC(=O)NC/C=C\CN=c1cc(C)[nH]cc1C#N 1107166852 VASNCJWGPSBKCQ-ARJAWSKDSA-N 301.350 -0.096 30 20 DBED Cc1cc(=NC[C@@H](C)NC(=O)c2nnn(C)n2)c(C#N)c[nH]1 1108049325 NTKNNKYRDUONSU-SECBINFHSA-N 300.326 -0.563 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)C[C@@](C)(O)C=C)CC2=O)C1 1108538430 HFJKSTFAZIIDOD-LRDDRELGSA-N 305.378 -0.652 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)[C@@H](C)CCOC)CC2=O)C1 1108591443 YERFRFRNFFZPJO-STQMWFEESA-N 307.394 -0.307 30 20 DBED C[C@@H](CN=c1cc[nH]cc1C#N)NC(=O)c1nnc(O)nc1O 1108782106 NCHURTWQOGASBC-ZETCQYMHSA-N 315.293 -0.798 30 20 DBED COCCOCC(=O)N[C@@H]1[C@H]2C[C@H]1N(c1nccnc1C#N)C2 1109695217 QQNCXXOWGAADIW-ZKYQVNSYSA-N 317.349 -0.295 30 20 DBED CCC(=O)NCC(=O)NCC1(Nc2ccc(C#N)nn2)CC1 1110086658 MRWXKQCBOQUFFM-UHFFFAOYSA-N 302.338 -0.065 30 20 DBED CC[C@H](OC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1110368900 QPCFVDAPXCNJID-NDBYEHHHSA-N 308.382 -0.227 30 20 DBED C[C@]1(NC(=O)CCNC(N)=O)CCN(c2ccc(C#N)nn2)C1 1110760700 TVUIRAUEMKZMBG-AWEZNQCLSA-N 317.353 -0.508 30 20 DBED N#Cc1nccc(N2CC[C@@](O)(CNC(=O)[C@@H]3CCCO3)C2)n1 1111031006 BDERSLMFSVDHPI-XHDPSFHLSA-N 317.349 -0.415 30 20 DBED N#Cc1cncc(N2CC[C@](O)(CNC(=O)c3cnon3)C2)n1 1111091631 VLEYMXCRBPHCDH-ZDUSSCGKSA-N 315.293 -0.898 30 20 DBED CO[C@H](C)CC(=O)N(C)[C@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1111175856 YAXVKTVYNIQBIO-WOPDTQHZSA-N 319.365 -0.219 30 20 DBED CO[C@H](C)CCC(=O)N(CCO)CCN=c1cc[nH]c(C#N)n1 1111454597 KSSGKNVUSRIFLS-GFCCVEGCSA-N 321.381 -0.182 30 20 DBED C=CCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1111482821 UDLDLIORNMGMBL-MCIONIFRSA-N 320.393 -0.060 30 20 DBED Cc1nc(NCCN(CCO)C(=O)c2cnn[nH]2)ccc1C#N 1111585912 VMYBJROSXNZTSY-UHFFFAOYSA-N 315.337 -0.074 30 20 DBED N#Cc1cncc(NC2(CNC(=O)Cn3ncnn3)CCC2)n1 1111851344 VQBQTOCGXUNQGL-UHFFFAOYSA-N 313.325 -0.514 30 20 DBED COCCC(=O)NC[C@@H]1CN(c2ccncc2C#N)C[C@H]1O 1112690183 YAGYOHJISSQJAZ-TZMCWYRMSA-N 304.350 -0.097 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)CCC(=O)NCC)CC1 1112698986 PATNYHPPDNYKMI-ZDUSSCGKSA-N 322.409 -0.815 30 20 DBED CCCOCC(=O)NC[C@H]1CN(c2cnc(C#N)cn2)C[C@H]1O 1112708849 AGZAEZYLNSMZAQ-WCQYABFASA-N 319.365 -0.312 30 20 DBED Cc1cc(C#N)nc(N(C)[C@@H](C)CNC(=O)Cn2cncn2)n1 1113609349 IRYSFTGSGFISCF-NSHDSACASA-N 314.353 -0.111 30 20 DBED CNC(=O)C1(C(=O)NC[C@@H](C)N(C)c2nccnc2C#N)CC1 1113661014 ZAFDMLNRWQDECM-SNVBAGLBSA-N 316.365 -0.185 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCNC1=O)N(C)c1ccnc(C#N)n1 1113802663 RGPUFGQWUQWVKU-UWVGGRQHSA-N 302.338 -0.575 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)Cn3cccn3)[C@H]2C1 1113854350 GTCNFGZWBBSDKC-CXTNEJHOSA-N 317.393 -0.380 30 20 DBED CNC(=O)NCC(=O)NC[C@H](C)N(C)c1nccnc1C#N 1113939477 ZIWSUEAOZZDING-VIFPVBQESA-N 305.342 -0.782 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)c3ncc[nH]3)[C@@H]2C1 1114236828 BGRDQVNMQNMWBY-HBNTYKKESA-N 301.350 -0.792 30 20 DBED C#CCOCCC(=O)NC1[C@@H]2CN(CC(=O)NCCC)C[C@@H]12 1114265449 DXTFZZAWMQQOHI-CHWSQXEVSA-N 307.394 -0.401 30 20 DBED CC1(C)CN(c2ccc(C#N)nc2)C[C@H]1NC(=O)CNC(N)=O 1114423788 OHTBUNMVQLYUAT-GFCCVEGCSA-N 316.365 -0.047 30 20 DBED CCN1CCOC[C@H]1C(=O)N[C@H]1[C@@H]2CN(CC#CCOC)C[C@@H]21 1114495850 AHDHRYUCYGOJES-XUWVNRHRSA-N 321.421 -0.597 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)c3cnc(C)n3C)[C@@H]2C1 1114731321 SPHPUPLPTBJPNL-VXGBXAGGSA-N 317.393 -0.309 30 20 DBED CCNC(=O)CCC(=O)N(C)C[C@H](C)N=c1cc[nH]c(C#N)n1 1115648993 IFVFPEMFBRIONT-NSHDSACASA-N 318.381 -0.055 30 20 DBED CN1CCN(C)[C@H](CNC(=O)C(=O)NCC2(CC#N)CC2)C1 1117318696 YTGZTTBNNQZHIX-GFCCVEGCSA-N 307.398 -0.842 30 20 DBED Cc1cnc(C(=O)NC[C@@H](CO)Nc2ccc(C#N)nn2)cn1 1121151809 XVIREVPEERGHDK-NSHDSACASA-N 313.321 -0.351 30 20 DBED N#Cc1nc(=N[C@H](CO)CNC(=O)c2ccnc(O)c2)cc[nH]1 1121310928 MZMMFGYYDPIKAE-JTQLQIEISA-N 314.305 -0.926 30 20 DBED Cc1nsc(N[C@H](CO)CNC(=O)c2cnnn2C)c1C#N 1121383536 BSLPWLHXGXTRMF-QMMMGPOBSA-N 321.366 -0.346 30 20 DBED CCNC(=O)CC(=O)NC[C@H](CO)N=c1cc(C)[nH]cc1C#N 1121463985 ISZADVHXZLOFBU-GFCCVEGCSA-N 319.365 -0.901 30 20 DBED CC(C)C#CC(=O)NC[C@H](CO)N=c1ccc2ncc[nH]c-2n1 1121520539 PGEREBIUNCUCEE-GFCCVEGCSA-N 313.361 -0.053 30 20 DBED CCN(CC)CC(=O)NC[C@H](CO)Nc1nc(C)cc(C#N)n1 1121659416 QFWVYPUQIIBOCB-CYBMUJFWSA-N 320.397 -0.113 30 20 DBED N#Cc1cccnc1N[C@@H](CO)CNC(=O)c1cnnc(O)c1 1122158703 YIPSODBSRDFGEI-LLVKDONJSA-N 314.305 -0.348 30 20 DBED COC[C@@H](OC)C(=O)NC[C@@H](CO)Nc1ccc(C#N)cn1 1122467432 WWZRCWIWHJHDIX-NWDGAFQWSA-N 308.338 -0.496 30 20 DBED C[C@@H]1OCCO[C@@H]1C(=O)NC[C@H](CO)Nc1cncc(C#N)n1 1122775891 JWCWYZDJAVDKMC-NDMJEZRESA-N 321.337 -0.959 30 20 DBED COCCOCC(=O)N1C[C@H](N=c2cc[nH]c(C#N)n2)C[C@@H]1C 1123178099 GHFDRVXJACCENT-NWDGAFQWSA-N 319.365 -0.166 30 20 DBED COC[C@@H](C)C(=O)N(C)C[C@@H](O)CNc1ccc(C#N)nn1 1124196013 FPDWBXCDQISQNB-PWSUYJOCSA-N 307.354 -0.138 30 20 DBED Cc1cnoc1C(=O)N(C)C[C@@H](O)CN=c1cc[nH]c(C#N)n1 1124493437 SAPAJJXFYNEWAL-JTQLQIEISA-N 316.321 -0.388 30 20 DBED CN(C[C@@H](O)CNc1ccc(C#N)nn1)C(=O)C(C)(C)C(N)=O 1124555064 VMQPWPWFKFSXNI-JTQLQIEISA-N 320.353 -0.909 30 20 DBED C=C[C@](C)(O)CC(=O)NCCNC[C@@H](O)COCCOC 1126366129 RGKQRAYXAYNVFS-OCCSQVGLSA-N 304.387 -0.957 30 20 DBED CCN(CC)C[C@H](F)C(=O)NCCNCC(=O)NCC#N 1128533046 FIOOGZZTULANQR-NSHDSACASA-N 301.366 -0.988 30 20 DBED C#CCC1(C(=O)NCCNCc2nc(O)n[nH]2)CCOCC1 1129117088 QPKOCJDGFARKQK-UHFFFAOYSA-N 307.354 -0.464 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1ccn(CC(F)F)n1 1130008606 TTZYDSWWLQTGKZ-UHFFFAOYSA-N 315.324 -0.230 30 20 DBED COCC#CCNCCNC(=O)COCc1ccc(OC)nc1 1130214411 OKNZHHOEFMAATR-UHFFFAOYSA-N 321.377 -0.038 30 20 DBED C[C@H](C#N)C(=O)NCc1c[nH]nc1[C@H]1CCN(CC(N)=O)C1 1130364893 KIMGLGRFYLJNFJ-ZJUUUORDSA-N 304.354 -0.540 30 20 DBED C#CCN[C@@H]1CN(C(=O)CC(=O)NCC)C[C@H]1c1cncn1C 1130975530 CPASZVTYKLPIGF-CHWSQXEVSA-N 317.393 -0.537 30 20 DBED C#CCN[C@@H]1CN(C(=O)CCCC(N)=O)C[C@H]1c1cncn1C 1131138825 XFWDPPDSDZRAJR-CHWSQXEVSA-N 317.393 -0.407 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)CCc2cncnc2)C1=O 1131348937 UYADOBLIGYCCPV-CQSZACIVSA-N 317.393 -0.098 30 20 DBED C#CCNC(=O)CN[C@@H]1CCO[C@H]1C1CCN(C(C)=O)CC1 1131404632 VYKYGQLLLOZOOJ-ZBFHGGJFSA-N 307.394 -0.259 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2cnns2)CC[C@H]1C 1131835556 YREBDHHLTRLWIC-MNOVXSKESA-N 321.406 -0.130 30 20 DBED C=CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)CCc1cnn[nH]1 1135496784 LRSNQFIFWCFFEQ-NEPJUHHUSA-N 322.413 -0.088 30 20 DBED CC#CCN[C@H](C)C[C@H](C)NC(=O)c1cn(CC(N)=O)nn1 1146583353 KGWPSGQBRNJWRG-MNOVXSKESA-N 306.370 -0.727 30 20 DBED C=CCNC(=O)CN1CCC2(C1)CN(C(=O)c1cn[nH]c1)C2 1147035629 XTAYVQQOFFPZPH-UHFFFAOYSA-N 303.366 -0.140 30 20 DBED C#Cc1ccc(C(=O)NCCNCC(=O)NC(=O)NCC)cn1 1148382893 JFZJJHFULDBORO-UHFFFAOYSA-N 317.349 -0.772 30 20 DBED C#CCCN1CCCO[C@@H](CNC(=O)CCc2cnn[nH]2)C1 1150357439 PITHOUIMSBJDBV-AWEZNQCLSA-N 305.382 -0.032 30 20 DBED C[C@H](CN1CCOCC1)C(=O)NC[C@H]1CN(CC#N)CCCO1 1150725355 ULJKGFWWCIXVCV-CABCVRRESA-N 324.425 -0.315 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)c1[nH]nnc1C 1154561888 YBXBEIQFJUKQTG-SNVBAGLBSA-N 306.370 -0.697 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)CN(C)C(C)C 1157113367 IPVXXJAGEHTTSP-CQSZACIVSA-N 310.442 -0.097 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1cncc(COC)c1 1160186984 UMAFBRQVCLTPFJ-UHFFFAOYSA-N 318.377 -0.313 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1cn(C)nc1CC 1160546183 USEFSPGSELIONZ-UHFFFAOYSA-N 305.382 -0.559 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)Cc1cn(CC)nn1 1162999631 AXCWNTSWVBCFEL-LBPRGKRZSA-N 320.397 -0.926 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)[C@]1(C)CCC(=O)NC1 1164442402 ZWDPLWNXUIKAFU-BLLLJJGKSA-N 324.425 -0.311 30 20 DBED C#CCNC(=O)CNCCCNC(=O)C(=O)N1CCC[C@@H]1CC 1170468162 RHBYLRJSQHSECE-ZDUSSCGKSA-N 322.409 -0.767 30 20 DBED C#CCNC(=O)CNCCCC[C@H](C)NC(=O)c1cnnn1C 1170523606 SIZKTRNLYRIKFS-LBPRGKRZSA-N 320.397 -0.557 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)Cc1cncn1C 1171244239 KMOZEIRXIQJPBX-GFCCVEGCSA-N 305.382 -0.804 30 20 DBED C#CCNC(=O)[C@H](C)NCCCC[C@@H](C)NC(=O)c1nc[nH]n1 1175777100 OCJOWMUBJSDMMC-NEPJUHHUSA-N 320.397 -0.179 30 20 DBED CCOCCO[C@H](C)C(=O)NCCCNCC(=O)NCC#N 1176870895 NBGZWBDUANJIKO-GFCCVEGCSA-N 314.386 -0.836 30 20 DBED C=CCCC(=O)N1CC[C@@H]2OCCN(Cc3nnn(C)n3)[C@@H]2C1 1176954680 HRZFUIRUBZEQLQ-OLZOCXBDSA-N 320.397 -0.022 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H]2OCCN(CC#C)[C@@H]2C1 1176982698 HLELAZHYNFCCCH-KGLIPLIRSA-N 303.362 -0.939 30 20 DBED CC#CCN1CCO[C@H]2CCN(C(=O)CCNC(=O)NC)C[C@H]21 1176999877 KUAULFWTWKRCRH-KGLIPLIRSA-N 322.409 -0.370 30 20 DBED C#CCNC(=O)CC(=O)NCCCCCCN[C@@H](CC)C(N)=O 1178263054 YRGPDKOXAVCYJN-ZDUSSCGKSA-N 324.425 -0.344 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)C[C@](C)(O)C2CC2)[C@H]1C 1178485677 OTQUROBOBBTDOS-JDFRZJQESA-N 321.421 -0.134 30 20 DBED Cc1cc(C(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)ncn1 1182033323 KOJBVUTYCKGZQU-LLVKDONJSA-N 302.338 -0.771 30 20 DBED C[C@@H]1CN(C(=O)c2ncc[nH]2)CC[C@H]1CNCC(=O)NCC#N 1184311422 HOAKHBSCRKBUTI-NEPJUHHUSA-N 318.381 -0.263 30 20 DBED CC#CCNC[C@H]1CCN(C(=O)Cn2ncn(C)c2=O)C[C@@H]1C 1184684387 OZPSIDXHVJYLBT-UONOGXRCSA-N 319.409 -0.321 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)[C@@H]2CCc3nn[nH]c3C2)C1 1187069851 TZLBFFHVGHRAOO-CHWSQXEVSA-N 317.393 -0.250 30 20 DBED CCn1ccnc1C(=O)N1CC[C@H](N(C)CC(=O)NCC#N)C1 1189883408 SZNIHKWVZXJXGR-LBPRGKRZSA-N 318.381 -0.311 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@@H](N(C)Cc2cnn(C)n2)C1 1190094555 LOQPESNEKLGXRE-TZMCWYRMSA-N 305.382 -0.114 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)c2ccsc2)C1 1190922903 PGMVJKKWRFXNNX-CYZMBNFOSA-N 321.402 -0.339 30 20 DBED C[C@H](O)CCCN1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 1192298576 TWJOLSVNANZMEP-ZLKJLUDKSA-N 306.366 -0.178 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)c2ccncc2C)C1 1192731805 QQXBSHMWPQFPFY-HUUCEWRRSA-N 303.362 -0.185 30 20 DBED C#CCN(C)[C@H]1CCN(C(=O)CCCN2C(=O)CNC2=O)C1 1193930302 KNYWWFKTSKHBHZ-LBPRGKRZSA-N 306.366 -0.516 30 20 DBED CC#CCN(C)[C@@H]1CCN(C(=O)CCCN2C(=O)CNC2=O)C1 1193940427 KBUZXTMSVKRPHM-CYBMUJFWSA-N 320.393 -0.126 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC[C@@H](N(C)CC(=O)NCC#N)C1 1194396369 BJXWJHNJWDFPKM-QWHCGFSZSA-N 308.382 -0.250 30 20 DBED N#CCNC(=O)CN1CCCN(C(=O)Cc2cc[nH]n2)CC1 1195394149 KMMNMLXBVOALDT-UHFFFAOYSA-N 304.354 -0.874 30 20 DBED Cc1c[nH]nc1C(=O)N1CCCN(CC(=O)NCC#N)CC1 1195747922 YPWJSUUTYXVYBU-UHFFFAOYSA-N 304.354 -0.494 30 20 DBED N#CCNC(=O)CN1CCCN(C(=O)CCc2ccon2)CC1 1196500971 SWAKUWZMKJARRL-UHFFFAOYSA-N 319.365 -0.219 30 20 DBED N#Cc1ccc(C(=O)N2CCCO[C@H](CNCC(N)=O)C2)[nH]1 1200281179 HZGSPMLIQTUOME-LLVKDONJSA-N 305.338 -0.808 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC(NCCS(C)(=O)=O)CC1 1200532455 RDTBQOVMGWWISS-LBPRGKRZSA-N 316.423 -0.350 30 20 DBED C[C@](O)(CC(=O)N1CCC[C@@H](NCC(=O)NCC#N)C1)C1CC1 1207821578 YOUCFMPUHOTRKA-CJNGLKHVSA-N 322.409 -0.242 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1209134945 UJDGIBNBSOGYRD-ZSAUSMIDSA-N 319.405 -0.403 30 20 DBED C#CCN[C@H]1CCCN(C(=O)[C@H](Cc2cnc[nH]2)NC(C)=O)C1 1209419092 INXTVSQVEZNOMU-ZFWWWQNUSA-N 317.393 -0.329 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)C(C)(C)NC(C)=O)[C@H](C)C1 1209541764 XOQJCWXHPCOIAA-DGCLKSJQSA-N 322.409 -0.913 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN([C@@H](C)C(=O)NC)C[C@H]1OC 1213964083 OZEUTCVPVWAHSL-YNEHKIRRSA-N 313.398 -0.471 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)[C@H]2CC(=O)N(C)C2)C[C@H]1C 1214757697 UDAZOVPGYOBIIV-HZSPNIEDSA-N 307.394 -0.449 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2OCC[C@H]2C)C[C@H]1C 1215589090 GTNAZSQKPHVVJC-BHPKHCPMSA-N 307.394 -0.403 30 20 DBED C=CCCC(=O)N1CCO[C@@H]2CN([C@@H]3CCC(=O)NC3=O)C[C@@H]21 1217503977 QPFVOWFXRYLHLL-FRRDWIJNSA-N 321.377 -0.331 30 20 DBED CC1(C)C[C@@H]1C(=O)N1CCO[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1217649454 RGQGQCZLGCRWSQ-FRRDWIJNSA-N 320.393 -0.416 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C[C@H](C)CCC)C1 1219340793 OFNCJHGGRGLGAN-MCIONIFRSA-N 309.410 -0.277 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(Cc2nccn2C)C[C@@H]1O 1219527567 UVTYHUOKPAQWKN-TYNCELHUSA-N 308.382 -0.592 30 20 DBED C#CCCCC(=O)N[C@@H]1CN([C@H]2CCN(C(C)C)C2=O)C[C@@H]1O 1219541749 OXLNBXKUNBHMSS-ILXRZTDVSA-N 321.421 -0.040 30 20 DBED CN1CCC[C@@H](N2C[C@H](O)[C@H](NC(=O)C#CC3CC3)C2)C1=O 1219591592 LRDUOYQKXRAEFA-MCIONIFRSA-N 305.378 -0.818 30 20 DBED CC#CCCCC(=O)N[C@@H]1CN(Cc2cnnn2C)C[C@@H]1O 1220177044 ZRCQYBUHSWVKAS-KGLIPLIRSA-N 305.382 -0.330 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C2(C)CC=CC2)C1 1220273196 FDGFVOFAUKTDLR-OLZOCXBDSA-N 307.394 -0.194 30 20 DBED C=CCCC1(C(=O)N[C@@H]2CN(Cc3nnn(C)n3)C[C@@H]2O)CC1 1220283255 WGXMWVHJVIZJBS-NEPJUHHUSA-N 320.397 -0.382 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)COC2CCN(C)CC2)C1 1220643306 ZPDPVAFNWSKABL-CABCVRRESA-N 309.410 -0.718 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)C[C@H](C)N2CCCC2=O)C1 1220753453 IBZZKGDCQNQMHY-MJBXVCDLSA-N 307.394 -0.428 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)CN(C)CCC)[C@@H]2C1 1221968738 YBQHFFSRWYJQMC-HUUCEWRRSA-N 320.437 -0.390 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC(NC(=O)C2=COCCO2)CC1 1225897489 OZYZOUWHBONZQH-LBPRGKRZSA-N 321.377 -0.407 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)Cn1nccn1 1226474621 RKYZUQMFFVUJPI-CHWSQXEVSA-N 320.397 -0.403 30 20 DBED Cc1nccc(C(=O)NC2CCN(CC(=O)NCC#N)CC2)n1 1230275179 GAEMDIHSEMDGJE-UHFFFAOYSA-N 316.365 -0.381 30 20 DBED C#CCN1CCS(=O)(=O)[C@@H](CCNC(=O)CCSC)C1 1230416196 BCQWIAHHGKMEPF-LBPRGKRZSA-N 318.464 -0.022 30 20 DBED CCCNCCNC(=O)C(=O)NCCNc1ncccc1C#N 1261380760 QHIKCIULJQGZJB-UHFFFAOYSA-N 318.381 -0.403 30 20 DBED CC#CC[C@H](CO)NC(=O)NCCN/C(O)=C1\N=CC=CC1=O 1261452737 LADMYWYNJLQSFH-CLMBFONXSA-N 320.349 -0.414 30 20 DBED C#CCSCCn1nnnc1N1CC[C@H]2OCC(=O)N[C@@H]2C1 1262413424 ODISTOSFXWWNBA-GHMZBOCLSA-N 322.394 -0.867 30 20 DBED Cn1cc(C=Nn2cnc3ccccc3c2=O)c(=O)n(C)c1=O 1317737121 IKUJFLLDZNZPAO-UHFFFAOYSA-N 311.301 -0.324 30 20 DBED CC(C)N(C)S(=O)(=O)NCCN/C(O)=C1\N=CC=CC1=O 1318359724 MDISXPDMNIGBJA-VAWYXSNFSA-N 316.383 -0.313 30 20 DBED C=CCNC(=O)CNC(=O)C(=O)Nc1c(C)cnn1CC1CC1 1320676711 WSYFMVTUJOUMCB-UHFFFAOYSA-N 319.365 -0.042 30 20 DBED Cn1nc(Br)c2c(=O)n(CC(=O)NO)cnc21 1320846628 SPVWNRUKRURJST-UHFFFAOYSA-N 302.088 -0.602 30 20 DBED CN(CC(=O)N1CCOCC1)C(=O)C(=O)NCCCCC#N 1322507984 SHEMMUVUNKARNA-UHFFFAOYSA-N 310.354 -0.886 30 20 DBED C#CCOCCNC(=O)C(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 1323261883 WXWHDWGZBOVVKZ-JHJVBQTASA-N 306.362 -0.174 30 20 DBED C#C[C@H](NC(=O)C(=O)N(C)CCCC(=O)NC)[C@H]1CCCO1 1323528564 RCHSQWUZDLZYJH-NWDGAFQWSA-N 309.366 -0.732 30 20 DBED C=CCCOCCNC(=O)C(=O)NC[C@@H]1CC(=O)N(C2CC2)C1 1324534578 DPDBYISWBGHGIF-LBPRGKRZSA-N 323.393 -0.178 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)NCc2ccn3ccnc3c2)CCO1 1326787908 UOLCBCIHKIRRNN-GFCCVEGCSA-N 313.317 -0.299 30 20 DBED Cc1nnc([C@@H](C)NC(=O)C(=O)N2CCO[C@@H](C#N)C2)s1 1327259280 QEZUOMIRPXTULH-APPZFPTMSA-N 309.351 -0.225 30 20 DBED CN(C[C@H]1CCCOC1)C(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1332377937 WYNKHLFXJRUVMP-DOMZBBRYSA-N 309.366 -0.252 30 20 DBED C=CCS(=O)(=O)CCNC(=O)[C@H]1CCCS(=O)(=O)C1 1332612216 IICICWWNGQDKIC-JTQLQIEISA-N 309.409 -0.472 30 20 DBED C#CCN1CCC[C@H](NC(=O)N[C@@H]2CCS(=O)(=O)[C@@H]2C)C1 1333215744 PVIFVSSPOHDAKS-FRRDWIJNSA-N 313.423 -0.041 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)c1cc(S(N)(=O)=O)cn1C 1334125472 ANQTWKDEIKVCDJ-UHFFFAOYSA-N 321.358 -0.660 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCN(CC)C(=O)[C@@H]1CC 1342445669 NZVLYENGVHWHMF-LBPRGKRZSA-N 309.366 -0.778 30 20 DBED C=CCOCCNC(=O)C(=O)N1CC[C@@H](N2CCCC2=O)C1 1346713641 KMSKNAWJKOGQPX-GFCCVEGCSA-N 309.366 -0.472 30 20 DBED O=C1C=CC=N/C1=C(/O)NCCNC[C@H](O)CN1CCCC1 1348446938 MGGYFXXYHDGDAQ-TZFAWSOVSA-N 308.382 -0.441 30 20 DBED CN(C)S(=O)(=O)NCCNC(=O)c1csc(C#N)c1 1349649757 JMZKPSNUNNBILJ-UHFFFAOYSA-N 302.381 -0.254 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N1CCC(CO)(OC)CC1 1349850680 FXRQZIRVCTYUQW-UHFFFAOYSA-N 306.362 -0.529 30 20 DBED COCC#CC(=O)N1CCN(C(=O)c2ccc(O)nc2)CC1 1350616019 MTJNKIPUPQNQRX-UHFFFAOYSA-N 303.318 -0.279 30 20 DBED C=CCC1(O)CCN(C(=O)C(=O)N[C@@H](C)C[S@@](C)=O)CC1 1353756481 XWMGDYMXWRWSTH-WIUDPPPLSA-N 316.423 -0.201 30 20 DBED CCC[C@@H](CCO)CNC(=O)Cn1cc(C#N)c(O)nc1=O 1362232006 NICBMZOAZXUXTI-JTQLQIEISA-N 308.338 -0.265 30 20 DBED N#Cc1cc(Br)ccc1C(=O)NC[C@@H](O)C(N)=O 1362621105 MIMHTRQOJFXKGE-SECBINFHSA-N 312.123 -0.103 30 20 DBED CC1=C(C(=O)NCCn2cc(C#N)c(O)nc2=O)SCCO1 1363289241 VOAVMPTWOSKZTJ-UHFFFAOYSA-N 322.346 -0.068 30 20 DBED Cc1nonc1CNC[C@@H](O)CNC(=O)c1cc(C#N)c[nH]1 1374597628 VZBGLIGGBBBBSN-SNVBAGLBSA-N 304.310 -0.542 30 20 DBED C[C@@H](CNC(=O)c1ccc(=O)n(C)n1)CNC(=O)[C@H](C)C#N 1375765791 XVHYGBUXGDNLKQ-NXEZZACHSA-N 305.338 -0.578 30 20 DBED Cc1nc(CC(=O)N[C@@H](C)CNC(=O)c2ccc(C#N)[nH]2)n[nH]1 1400188087 KPQUWLYKLKGTHZ-QMMMGPOBSA-N 315.337 -0.210 30 20 DBED C[C@@H](CN(C)C(=O)[C@H]1CCC(=O)N1)NC(=O)c1ccc(C#N)[nH]1 1405011960 WHDGTTHLMVSREA-JOYOIKCWSA-N 317.349 -0.258 30 20 DBED C[C@H](C(=O)NCC1CCS(=O)(=O)CC1)n1cnc(C#N)n1 1411991730 CSHLPCPGCBWVNE-SECBINFHSA-N 311.367 -0.348 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(CCn2cc(Cl)cn2)C1 1421420456 WKPIMQBFQWCKGY-JTQLQIEISA-N 311.773 -0.141 30 20 DBED CC[C@@H]1COCCN1CCNC(=O)NCCn1cnc(C#N)n1 1427468790 DLDGNTLDBKZUBL-GFCCVEGCSA-N 321.385 -0.440 30 20 DBED C[C@@H](C#N)C(=O)N(CCNC(=O)CCN1CCOCC1)C1CC1 1429923439 LETVAMPGHXSPRK-ZDUSSCGKSA-N 322.409 -0.024 30 20 DBED Cc1cnn(CCC(=O)NC[C@H](O)CNC(=O)[C@@H](C)C#N)c1 1431544681 GNBUUXRYCXSSDF-RYUDHWBXSA-N 307.354 -0.665 30 20 DBED CCN(CCNC(=O)Cn1cc(C#N)c(O)nc1=O)C(C)C 1443444241 HNCSUBWFNIIYLC-UHFFFAOYSA-N 307.354 -0.333 30 20 DBED CCN(CC)C(=O)CNCC1(O)CCN(C(=O)[C@@H](C)C#N)CC1 1447596130 RFEAZDVEBLTUPQ-ZDUSSCGKSA-N 324.425 -0.042 30 20 DBED N#CCc1ccccc1S(=O)(=O)N1CCC(O)(C(N)=O)CC1 1463698000 NOAOULAOAHOQHY-UHFFFAOYSA-N 323.374 -0.246 30 20 DBED Cn1c(=O)[nH]c(NC[C@@H]2CCCN(C(N)=O)C2)c(C#N)c1=O 1472797423 BYAKVEWMNPFKKA-QMMMGPOBSA-N 306.326 -0.852 30 20 DBED N#Cc1c[nH]c(C(=O)N2CCN(CC(=O)N3CCC3)CC2)c1 1480345823 VBYZHAZKWARSHK-UHFFFAOYSA-N 301.350 -0.124 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)COc2cccnc2)C1 1489371989 MSLNGKFTQPMNLZ-RAIGVLPGSA-N 318.333 -0.692 30 20 DBED C[C@H](C#N)C(=O)N(C)CCNC(=O)C1(S(C)(=O)=O)CCC1 1496503244 OYCWSGZPNOGYDF-SNVBAGLBSA-N 315.395 -0.312 30 20 DBED C#CC1(O)CCN(C(=O)N[C@H](C)CS(=O)(=O)CC)CC1 1527475264 SHPKYOIBQWUXLI-LLVKDONJSA-N 302.396 -0.021 30 20 DBED COC(=O)NCC(=O)N1CC[C@H](CN(C)C(=O)[C@H](C)C#N)C1 1530136174 PZZWWJWGOIOLKW-GHMZBOCLSA-N 310.354 -0.191 30 20 DBED CCOC(=O)[C@H]1CCN(c2cnc(-c3nn[nH]n3)c(C#N)n2)C1 1578244278 RYFYZUVYMRWZIC-QMMMGPOBSA-N 314.309 -0.082 30 20 DBED CN(CCN1CCNCC1)C(=O)CNc1ccc(C#N)cn1 1578471308 CYYGVLQOMIIPTA-UHFFFAOYSA-N 302.382 -0.271 30 20 DBED CCn1cc(C#N)c(=O)n(Cc2ccc(-c3nn[nH]n3)o2)c1=O 1578736476 FXYVJSPSOQDMPM-UHFFFAOYSA-N 313.277 -0.277 30 20 DBED C#CC[C@H](CCOC)NC(=O)Cn1cnc(-c2nn[nH]n2)n1 1588331025 IVJWIEOZZYDAPX-SECBINFHSA-N 304.314 -0.997 30 20 DBED C#CCN(CC(=O)O)c1nnc(-c2cn(C)nn2)n1CCOC 1588426196 BUXNFRPAHJREBK-UHFFFAOYSA-N 319.325 -0.756 30 20 DBED C=CCO[C@@H]1CCN(C(=O)C(=O)Nc2ccn(CC(=O)O)n2)C1 1588465262 UZFFPDATBYSSHK-SNVBAGLBSA-N 322.321 -0.290 30 20 DBED N#C[C@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)O[C@H]1CNOC1 1592669844 UYZFNAAYBAUTKD-RYUDHWBXSA-N 314.305 -0.004 30 20 DBED N#CCNC[C@@H]1CCCN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1 1592678715 LWFVFPJKEBWPGE-VIFPVBQESA-N 300.326 -0.087 30 20 DBED CN(C)CCN(CC(=O)O)S(=O)(=O)CC1(CC#N)CC1 1593699083 OODYUZBLTDTLDF-UHFFFAOYSA-N 303.384 -0.042 30 20 DBED C#CCC1(O)CCN(C(=O)C(=O)N2CC[C@@](C)(C(=O)O)C2)CC1 1602674683 AGHLQJCRXMLKBX-OAHLLOKOSA-N 322.361 -0.314 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)c1cc(-c2nn[nH]n2)[nH]c1C 1602722377 OVDGTAAZTXJKRA-QMMMGPOBSA-N 302.294 -0.202 30 20 DBED CC#CC[C@H](CO)NC(=O)C(=O)Nc1cncc(C(=O)O)c1 1602735014 IDJSAVNWCAQFPR-SNVBAGLBSA-N 305.290 -0.391 30 20 DBED C=CCOC[C@H](NC(=O)CN1C(=O)NC(=O)C1(C)C)C(=O)O 1602909383 UDBODLALBPYZHG-QMMMGPOBSA-N 313.310 -0.911 30 20 DBED CC1(C)CN(C(=O)Cn2cnc(C#N)c2-c2nn[nH]n2)CCO1 1603779928 BCTARLGHXSGZML-UHFFFAOYSA-N 316.325 -0.428 30 20 DBED C[C@H](NC(=O)[C@H](C)NC(=O)c1ccc(C#N)c(O)c1)C(=O)O 1607458589 LGPJLAASRFLKFB-YUMQZZPRSA-N 305.290 -0.029 30 20 DBED C=CCN1CCC(NC(=O)C(=O)N2CC[C@H](C(=O)O)C2)CC1 1609636787 CPGSETWAMKOPBO-NSHDSACASA-N 309.366 -0.314 30 20 DBED Cc1c(C#N)c(=O)n(Cc2cc(=O)n3ccccc3n2)c(=O)n1C 1656778821 LOHUWWLFCXHJEG-UHFFFAOYSA-N 323.312 -0.217 30 20 DBED N#CCNC(=O)CN1CCC[C@H](CNC(=O)C2CCOCC2)C1 1752776435 UGQKQOGRKNTXRR-CYBMUJFWSA-N 322.409 -0.119 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC(CNC(=O)c2c[nH]nc2CC)C1 1753405742 FHDARIRATLQPAG-LLVKDONJSA-N 317.393 -0.228 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2nonc2C)[C@@H](C)C1 1754603297 ITUAQLGEFDBCOQ-JQWIXIFHSA-N 319.365 -0.290 30 20 DBED C#CCN1CC(O)(CNC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1 1754769715 JSVVJTOMALUCDY-ZJUUUORDSA-N 322.283 -0.871 30 20 DBED C#CCN[C@H](C)[C@H]1CCN(C(=O)CCn2ncn(C)c2=O)C1 1754797363 OBTLMWANKRPFIU-OLZOCXBDSA-N 305.382 -0.568 30 20 DBED COCC#CCN1CC2(C[C@H](NC(=O)[C@@]34COC[C@@H]3C4)CO2)C1 1755061668 NMUPNQCEOQTSDS-ZQIUZPCESA-N 320.389 -0.368 30 20 DBED C=CCNC(=O)CNCC1CC(NC(=O)[C@@H](C)NC(C)=O)C1 1755206444 WBIYGJVQHLXAIV-QFWMXSHPSA-N 310.398 -0.702 30 20 DBED C#CCCN[C@@H](C)[C@H](C)NC(=O)c1nc(C)n(-c2nc[nH]n2)n1 1755245685 GFYFFTRUQMHAAN-UWVGGRQHSA-N 316.369 -0.186 30 20 DBED Cc1cnn(C)c1C(=O)N[C@@H](C)CCCNCC(=O)NCC#N 1755513858 WVFANUUIEHNYQO-LBPRGKRZSA-N 320.397 -0.144 30 20 DBED C#CCNC(=O)CN[C@@H]1C[C@H](C)N(C(=O)Cn2ccnc2C)C1 1755692439 LEPMWDDVNGXPMC-GXTWGEPZSA-N 317.393 -0.480 30 20 DBED C=CCNC(=O)CN1CC[C@]2(NC(=O)CC(N)=O)CCC[C@@H]12 1755694600 ANYUJYSUBFPROH-IAQYHMDHSA-N 308.382 -0.723 30 20 DBED CCc1cc(C(=O)N(C)C[C@@H](O)CNCC#CCOC)nn1C 1755796544 RCJDXRWTLVQMLV-AWEZNQCLSA-N 322.409 -0.345 30 20 DBED Cc1cc(COCC(=O)N(C)C[C@@H](O)CN(C)CC#N)no1 1755802706 YNDVTQOXUZTFNC-ZDUSSCGKSA-N 310.354 -0.226 30 20 DBED N#CCSCC(=O)NC[C@H](CO)NC(=O)[C@H]1CCCOC1 1756504255 ZCQSHUKQZZRAST-WDEREUQCSA-N 315.395 -0.737 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H](CO)CNC(=O)c1cnns1 1756506979 YSEUIBDIXOCSJS-RKDXNWHRSA-N 314.367 -0.664 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@H](CO)CNC(=O)c1ccnn1C 1756508096 OUEHXRUMGOHAHI-QWRGUYRKSA-N 310.354 -0.782 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H](CO)CNC(=O)c1ccc(C#N)[nH]1 1756513233 CRLVMNJVZDDTHZ-JQWIXIFHSA-N 318.333 -0.868 30 20 DBED CC(C)C#CC(=O)N[C@@H]1C[C@H](C)N(C(=O)Cn2cnnn2)C1 1756576692 PQGSRDLDTBRMCH-NWDGAFQWSA-N 304.354 -0.562 30 20 DBED C#CCCCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccnn2C)C1 1756983751 FMVVIGDHUPRMCC-DGCLKSJQSA-N 304.350 -0.475 30 20 DBED C[C@H](S)C(=O)N1CC[C@]2(CN(C(=O)CN(C)C)CCO2)C1 1783889983 NKKZBYNKOHHPRT-FZMZJTMJSA-N 315.439 -0.304 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCCCO1 1792569513 NFQPGEAQCNPNQT-QVHKTLOISA-N 306.362 -0.222 30 20 DBED CN[C@H](CC(=O)N1CCCC12CN(C(=O)CCC#N)C2)C(=O)O 1842950299 SVCBIDZAIVQNIH-LLVKDONJSA-N 322.365 -0.444 30 20 DBED C#CCNC(=O)CN1CCCN(S(=O)(=O)CCCF)CC1 175580309 KAMLWBDFLDYHIA-UHFFFAOYSA-N 319.402 -0.567 30 20 DBED COC(=O)[C@@]1(C)CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)C1 268286085 CHHWUWKDOAWQDW-AWEZNQCLSA-N 306.322 -0.655 30 20 DBED C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H](C)CO)c1 268930315 XUPABYAUBKPLCD-LLVKDONJSA-N 310.375 -0.044 30 20 DBED C=CCn1nnnc1SCCc1cn(CC(=O)OC)nn1 269440640 SNFAISGICCMNHK-UHFFFAOYSA-N 309.355 -0.042 30 20 DBED N#Cc1ccc(O[C@H]2CCN(Cc3nc(N)nc(N)n3)C2)nc1 292242965 QJBPQHGSLDRYII-JTQLQIEISA-N 312.337 -0.044 30 20 DBED N#CCCN(CCC#N)C(=O)CN1CCO[C@H](CC(=O)O)C1 316788370 WTRBSSJYUQHPQJ-GFCCVEGCSA-N 308.338 -0.182 30 20 DBED CN1CCN(C)[C@H](C/N=C(/O)N(C)CCN2CCOCC2)C1 329388441 UBHGZVFWQIDDBU-CQSZACIVSA-N 313.446 -0.590 30 20 DBED C[C@H](CN1CCCC1=O)/N=C(/O)N[C@@H]1CS(=O)(=O)C[C@@H]1C 329690334 GLYCIROSPLZJGO-HBNTYKKESA-N 317.411 -0.066 30 20 DBED C=CC/N=C(/O)NC(=O)CN1CCS(=O)(=O)[C@H](C)[C@@H]1C 330802334 HHQHVLSKMZVOAA-VHSXEESVSA-N 303.384 -0.290 30 20 DBED N#CCC/N=C(/O)Nc1ccn(CC(=O)N2CCOCC2)n1 331164757 RZDXQTXBCGMDMV-UHFFFAOYSA-N 306.326 -0.019 30 20 DBED COC[C@](C)(CC(=O)OC)NS(=O)(=O)N(C)C[C@@H](C)C#N 336934806 DZMVLEFGXKFNRN-JQWIXIFHSA-N 321.399 -0.120 30 20 DBED N#CCNC(=O)CN1C(=O)C(=O)N(Cc2ccccc2)C1=O 342782160 PHOGCLOUSWQZRR-UHFFFAOYSA-N 300.274 -0.383 30 20 DBED N#Cc1ccc(NCC(=O)N[C@H]2CCCC[C@@H]2C(N)=O)nc1 345322575 FTHGPGGLCYSSRI-RYUDHWBXSA-N 301.350 0.525 30 20 DBED CC[S@](=O)CC(=O)N(CCC#N)CCN1CCOCC1 346287772 BAVFPGLDDORTSP-FQEVSTJZSA-N 301.412 -0.171 30 20 DBED CN(CC(C)(C)C#N)C(=O)CNS(=O)(=O)c1cn(C)cn1 353289132 NCLPSXHFYODPQH-UHFFFAOYSA-N 313.383 -0.293 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)NCCc2nc(N)no2)cc1 353396922 BILBOIBXFZTHHO-UHFFFAOYSA-N 314.305 -0.388 30 20 DBED Cc1nc(-c2nc(Cc3nc(=N)[nH]c(=N)[nH]3)no2)ccc1C#N 356067759 RPJZBGWVPRNGIU-UHFFFAOYSA-N 309.293 -0.087 30 20 DBED CC(C)OCCN1CCN(C(=O)NCC(=O)NCC#N)CC1 358317830 VTLHJYCULRPWML-UHFFFAOYSA-N 311.386 -0.622 30 20 DBED N#C[C@@H]1CN(C(=O)NCCNC(=O)c2cnccn2)CCO1 358333416 WZFBFJGKYWOQSH-SNVBAGLBSA-N 304.310 -0.860 30 20 DBED Cc1nc(C(=O)Nc2ncn(CC(=O)N(C)C)n2)ccc1C#N 358770985 WFPQJNMXCFPYEZ-UHFFFAOYSA-N 313.321 0.194 30 20 DBED COC(=O)CN(CC#N)C(=O)C(=O)NCc1ccc(F)cc1 359369682 ORHMUZGBYMMAHU-UHFFFAOYSA-N 307.281 -0.033 30 20 DBED C=C(C)CN(C)C(=O)C(=O)N[C@@H]1CCOC[C@H]1OCCOC 360198642 IEBXBHKMGZGLJA-CHWSQXEVSA-N 314.382 -0.042 30 20 DBED C=CCNC(=O)CNC(=O)N[C@@H]1CCN(c2cnn(C)c2)C1 373174691 ABCKUPUEJKYCNL-LLVKDONJSA-N 306.370 -0.400 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CC[C@@](C)(C(=O)O)C2)nn1 424488540 MQDBGXVMAXFODI-CQSZACIVSA-N 321.337 -0.597 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)CC[C@H]2CCCO2)CC1 491210561 WCTKQKISCHGXGT-CQSZACIVSA-N 307.394 -0.161 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)CCOCC2CC2)CC1 491361056 IQWDDHGRFCZXBT-UHFFFAOYSA-N 307.394 -0.303 30 20 DBED C[C@@H]1CN(CCNS(=O)(=O)c2ccc(C#N)nc2)CCO1 548696885 GLXFIUXAFMOPLC-LLVKDONJSA-N 310.379 -0.048 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCCCNC(C)C)C1=O 564981965 SGDWXSVNPFJCFG-UHFFFAOYSA-N 310.354 -0.533 30 20 DBED COCCNC(=O)CN1CCN(c2ccnc(C#N)n2)CC1 566767406 HAOSDDLQYOOIKY-UHFFFAOYSA-N 304.354 -0.767 30 20 DBED CNS(=O)(=O)N1CCN(C(=O)c2cc(C#N)[nH]c2C)CC1 582127173 KXDYRIRMKFSCAV-UHFFFAOYSA-N 311.367 -0.583 30 20 DBED Cc1c(CNC(=O)C(=O)N2CCN(CCC#N)CC2)cnn1C 602248927 YIAUKGOTDXTPET-UHFFFAOYSA-N 318.381 -0.597 30 20 DBED Cc1c(C#N)c(=O)n(CC(=O)N2CCC(C)CC2)c(=O)n1C 603359387 OLECQNQACRNGLF-UHFFFAOYSA-N 304.350 -0.014 30 20 DBED CCC[C@@H](C#N)NC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 609170466 SDUKLZQHSLVVGC-KBPBESRZSA-N 322.409 -0.024 30 20 DBED COCCn1cc(C(=O)N2CCN(CC#N)CC2)ccc1=O 610112793 VFWDZRLCNTZIDE-UHFFFAOYSA-N 304.350 -0.224 30 20 DBED CC[C@@H](C(=O)NCC#CCNC(=O)[C@H](CC)N(C)C)N(C)C 681340331 GKBVULDYJJYEIN-KBPBESRZSA-N 310.442 -0.097 30 20 DBED CNC(=O)CNC(=S)NN=Cc1cc([N+](=O)[O-])ccc1O 731927532 WZNUWDXTGAZMCL-UHFFFAOYSA-N 311.323 -0.156 30 20 DBED C#CCNC(=O)C1CCN(CC(=O)N2CCO[C@@H](C)C2)CC1 747820044 HWWRAWMLZXNDBG-ZDUSSCGKSA-N 307.394 -0.305 30 20 DBED C#CCNS(=O)(=O)N1CCN(Cc2cc(C)n(C)n2)CC1 761037229 NLEZUTVHHLKMQU-UHFFFAOYSA-N 311.411 -0.686 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2coc(OCC)n2)CC1 772834518 FNIGTYHLJLOBDV-UHFFFAOYSA-N 320.349 -0.420 30 20 DBED C#CCOCCNC(=O)N[C@H]1CCOC[C@@H]1OCCOC 776908702 MQHQAAIBHZXIQB-STQMWFEESA-N 300.355 -0.244 30 20 DBED C=C(CO)C(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F 804273751 VYOAFZGHPVUHLQ-SSDOTTSWSA-N 304.290 -0.527 30 20 DBED C#CCCCNC(=O)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O 806185884 WKAVQIBGIZQHIP-SECBINFHSA-N 319.283 -0.205 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCCOC2CCC2)C1=O 807164573 MSPDSCROPRLRCE-ZDUSSCGKSA-N 323.393 -0.083 30 20 DBED Cn1cc([C@@H]2OCCC[C@H]2C(=O)N[C@H]2CCN(O)C2=O)cn1 820144445 WAZPMSQZZSRPLE-WOPDTQHZSA-N 308.338 -0.006 30 20 DBED Cc1cc(C)n2nc(C(=O)N[C@H]3CCCN(O)C3=O)nc2n1 820471209 PLZDGIXPGFNQGH-VIFPVBQESA-N 304.310 -0.149 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1 825449906 GSDWTUVCBOOZCE-LBPRGKRZSA-N 316.361 -0.133 30 20 DBED C#CCN1CCN(C(=O)CN2CC[C@@H](OC)C[C@H]2C(=O)O)CC1 833363977 CJBRSAIZBNCJLI-KGLIPLIRSA-N 323.393 -0.672 30 20 DBED C#CCNC(=O)CCN[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 843118199 COEAFOOTHVDBIF-VXGBXAGGSA-N 311.382 -0.304 30 20 DBED CCN(CCC#N)C(=O)COC(=O)CN1CC(=O)N(C)C1=O 860303880 GVMSCHVJEOWULC-UHFFFAOYSA-N 310.310 -0.814 30 20 DBED C#CCN1CCC[C@H](NS(=O)(=O)CCOCCOC)C1 885512708 YDSBGNZIBXRANG-ZDUSSCGKSA-N 304.412 -0.334 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CCN2C(C)(C)C)CC1 896152960 OUHYVSFIWUXNPJ-AWEZNQCLSA-N 320.437 -0.247 30 20 DBED COC(=O)c1c[nH]nc1S(=O)(=O)N1CCSC[C@@H]1C#N 912547685 NJCBVXYILUAXBZ-ZETCQYMHSA-N 316.364 -0.174 30 20 DBED C#CCN1CCC(NC(=O)[C@@H](NC(=O)COC)C(C)C)CC1 928655606 UGYURWHHXGWDQX-HNNXBMFYSA-N 309.410 -0.013 30 20 DBED CN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CCN(C(=O)c2cnn[nH]2)C1 938831473 TWLIHCFQMPZAOV-SNVBAGLBSA-N 313.321 -0.009 30 20 DBED C=CCN1CC[C@H](NC(=O)Cn2ccc(O)nc2=O)[C@H](C)C1 942313606 KAOOGRZMAQFIMJ-NEPJUHHUSA-N 306.366 -0.039 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)c2cnn(C)c2)C1 944478120 PVGMJJYGZMUWCD-PWSUYJOCSA-N 305.338 -0.463 30 20 DBED C[C@@H]1C[C@H](NC(=O)CN2CC(=O)N(C)C2=O)CCN1CC#N 947925389 OZMLSADMMZRJAH-GHMZBOCLSA-N 307.354 -0.627 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NCC1CCN(C(=O)C(N)=O)CC1 949383399 BAMUCXDBKIOBEE-OLZOCXBDSA-N 323.393 -0.192 30 20 DBED C#CCN1CCN(C(=O)c2nc(C)n(-c3nc[nH]n3)n2)CC1 949564047 BHRLNKKGIQWDAX-UHFFFAOYSA-N 300.326 -0.915 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@H]2CNC(=O)[C@H]2COC(=O)N2)[nH]1 949690470 OHVUIFIKKCAWMK-GXSJLCMTSA-N 317.305 -0.675 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)CC(N)=O 950229991 ADUAGBDQYLRHDH-TUAOUCFPSA-N 309.366 -0.440 30 20 DBED C#Cc1ccc(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)C(F)F)C2)nc1 958373594 OGKLMMXRYABLDJ-RYUDHWBXSA-N 323.299 -0.028 30 20 DBED CCc1n[nH]cc1C(=O)N(C)[C@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1O 958887265 HYDVGKJASMLUMF-ICCXJUOJSA-N 319.365 -0.225 30 20 DBED C=C(C)CCN1C[C@H]2[C@H](NC(=O)CN3CCOCC3=O)[C@H]2C1 960307934 NZAWBOHDLQUBGB-VIKVFOODSA-N 307.394 -0.142 30 20 DBED C#CCN1C[C@H]2C(NC(=O)c3cnc4c(c3)NC(=O)CO4)[C@@H]2C1 960824695 IDOGMJLMRLOQIJ-GHMZBOCLSA-N 312.329 -0.294 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)[C@H]3CCNC(=O)C3)C[C@@H]2C1 961351564 LKLPTBCHIOXBJE-ZDEQEGDKSA-N 318.377 -0.411 30 20 DBED Cn1cccc1C(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 961596963 JADGTRJFTQDICS-OCCSQVGLSA-N 301.346 -0.260 30 20 DBED CC#CCN1CC[C@@H](C)[C@H](NC(=O)CN2C(=O)CN(C)C2=O)C1 968628396 XYHXVFCGWPACHV-CHWSQXEVSA-N 320.393 -0.270 30 20 DBED C[C@@H](C(=O)N1CC[C@@]2(CN(CC#N)CCO2)C1)S(C)(=O)=O 972435527 ODRRCAIYPSDDOM-WCQYABFASA-N 315.395 -0.754 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)[C@H]3CCN(C)C(=O)C3)C2)C1 972437853 MABJPAMVCHJOAC-WMLDXEAASA-N 319.405 -0.209 30 20 DBED C=CCN1CCO[C@@]2(CCN(C(=O)CN3C(=O)CCC3=O)C2)C1 972670209 ZGURGOMDFWPRPT-INIZCTEOSA-N 321.377 -0.375 30 20 DBED C=CCN1CCO[C@@]2(CCN(C(=O)C[C@H]3CC(=O)NC3=O)C2)C1 972705129 QODQYVBWEVBIAT-WBMJQRKESA-N 321.377 -0.472 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H](CNC(=O)c2nnn(C)n2)C1 975457909 MCGZTZCEDKDZQB-VHSXEESVSA-N 305.342 -0.662 30 20 DBED C#CCN[C@H]1CCC[C@@H](NC(=O)c2cnc(O)n(C)c2=O)C1 981269461 ZQVBICIDTUHQSH-WDEREUQCSA-N 304.350 -0.250 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC(NC(=O)C3=COCCO3)C2)c1 990124681 FZWSPTRJMDEUIN-UHFFFAOYSA-N 302.290 -0.285 30 20 DBED C[C@H](C(=O)NC1CN(C(=O)c2ccc(C#N)[nH]2)C1)n1cncn1 990915879 SRFUMHOVYVJGAY-SECBINFHSA-N 313.321 -0.320 30 20 DBED Cc1ncc(C(=O)N[C@@H]2CCN(C(=O)C#CC3CC3)C[C@H]2O)[nH]1 991340321 HHCJAPGWDPJYSL-TZMCWYRMSA-N 316.361 -0.177 30 20 DBED N#CCN1CC[C@@]2(NC(=O)C3CC(=O)NC(=O)C3)CCC[C@H]12 992333464 WHQRWLRYXHVWPA-NHYWBVRUSA-N 304.350 -0.324 30 20 DBED C=CCCn1cc(C(=O)N[C@@H]2CCCN(CC(N)=O)[C@@H]2C)nn1 993991614 VDBIBEKHRFANIS-VXGBXAGGSA-N 320.397 -0.078 30 20 DBED N#CCN1CC[C@H](n2cc(CNC(=O)c3cc[nH]n3)nn2)C1 999954146 FGXGYTVYZDFROX-NSHDSACASA-N 300.326 -0.298 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2C[C@@H](C)N(C(=O)C(N)=O)C2)nc1 1010286154 UYJXNCLHISONMI-PWSUYJOCSA-N 314.345 -0.485 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C(=O)Cn2cc(C3CC3)nn2)CC1 1011261287 ALAAUNFJIFSNNO-LLVKDONJSA-N 316.365 -0.014 30 20 DBED COc1c[nH]c(C(=O)N2CCN(C(=O)[C@H](C)C#N)CC2)cc1=O 1011530419 DPVXZVOHZUSJNY-SNVBAGLBSA-N 318.333 -0.172 30 20 DBED CCn1nc(C)c(C(=O)NC2[C@@H]3CN(C(=O)[C@@H](C)C#N)C[C@@H]23)n1 1013350015 UQFHLTMKPSGIDG-JMJZKYOTSA-N 316.365 -0.047 30 20 DBED COc1ncc(C(=O)NC2[C@@H]3CN(C(=O)[C@H](C)C#N)C[C@@H]23)cn1 1013710484 OCQQYIDVCCJXNS-FBIMIBRVSA-N 315.333 -0.169 30 20 DBED CNC(=O)CN1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C#N)[nH]1 1017483692 VHMJGKXMRBHQNS-TXEJJXNPSA-N 301.350 -0.079 30 20 DBED C[C@H](C#N)C(=O)N1CCCO[C@@H](CNC(=O)c2cc[nH]n2)C1 1019537295 NXXNAYCDQQBKPX-MNOVXSKESA-N 305.338 -0.083 30 20 DBED N#CCN[C@H]1C[C@@H](NC(=O)c2cccc(OCC(N)=O)c2)C1 1022161673 DRKIPYTZPPYTKD-TXEJJXNPSA-N 302.334 -0.075 30 20 DBED N#CCN1CC[C@@H](CNC(=O)c2cnn3c(=O)cc[nH]c23)C1 1028853432 MQWBXDXJOJAAIO-JTQLQIEISA-N 300.322 -0.402 30 20 DBED Cn1nnc2c(C(=O)NC[C@H]3CN(CC#N)CCO3)ccnc21 1035487014 HFNSLLPIJFCNLP-JTQLQIEISA-N 315.337 -0.683 30 20 DBED C#CCN[C@@H]1CCN(C(=O)Cn2nc(C)n(C)c2=O)C[C@H]1C 1036277843 YEPCDEQNPWJJOO-DGCLKSJQSA-N 305.382 -0.650 30 20 DBED C=C(Cl)CN1CC[C@@H]1CNC(=O)c1cn(CC(N)=O)nn1 1039044263 WCVDOIKXWSIBPX-SECBINFHSA-N 312.761 -0.680 30 20 DBED C=CCOCC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2CC2(F)F)C1 1039649733 FMJKHAUJIWGHLR-GWCFXTLKSA-N 318.320 -0.076 30 20 DBED CC(C)C#CC(=O)NC[C@@]1(O)CCN(C(=O)c2cncnc2)C1 1039663600 FQZMEIGVZUFHKU-INIZCTEOSA-N 316.361 -0.171 30 20 DBED N#Cc1cnc(NC[C@H]2C[C@H]3CC[C@H]2N(C(=O)C(N)=O)C3)cn1 1040019592 NBNQWUVQLBVPAT-CKYFFXLPSA-N 314.349 -0.127 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)Cc2cccnc2)C1 1040248567 UGGSXXJGGSZCHE-LRDDRELGSA-N 316.361 -0.137 30 20 DBED C[C@@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)C2(CN(C)C)CC2)C1 1040761133 RPKSAXQRONMXAM-BLLLJJGKSA-N 322.409 -0.433 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2cc(C)[nH]n2)C1 1041735225 JXRVTGIYHJCJPC-NSHDSACASA-N 320.349 -0.940 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)[C@H]2CC2(C)C)C1 1043040491 SSPKZOQOQVWNAW-NWDGAFQWSA-N 308.378 -0.240 30 20 DBED C=CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)COCC)C1 1043568805 OLJVYKYYVSUFIN-LLVKDONJSA-N 300.355 -0.697 30 20 DBED N#Cc1nccc(N2C[C@H](O)[C@H](NC(=O)c3ccon3)C2)n1 1043862967 KIPGJEBBPWBQDO-ZJUUUORDSA-N 300.278 -0.684 30 20 DBED N#Cc1nccnc1N1C[C@H](O)[C@H](NC(=O)c2csnn2)C1 1044354926 MVBBLBXDEXOILV-SCZZXKLOSA-N 317.334 -0.821 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)[C@@H]2CCC(=O)N2C)C1 1044463536 GREJHJPEURBVHR-NSHDSACASA-N 323.393 -0.491 30 20 DBED C#CCN1[C@H]2CC[C@H]1CN(C(=O)[C@@H]1CC(=O)NC(=O)N1)CC2 1045856129 AKOFBMJMTPNGLK-SRVKXCTJSA-N 304.350 -0.717 30 20 DBED C[C@@H](O)CN1CC[C@@H](N2CCN(C(=O)C#CC3CC3)CC2)C1 1046028017 VZNCSRWVAIFZSF-GDBMZVCRSA-N 305.422 -0.001 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 1047530735 FCJLANBQZXDGMB-RFGFWPKPSA-N 307.394 -0.585 30 20 DBED CN(C(=O)c1cnc(C2CC2)nc1)[C@H]1CN(CC#N)C[C@@H]1O 1047552912 CZJYGSKNFJCSBH-STQMWFEESA-N 301.350 -0.005 30 20 DBED C#CCCCC(=O)N(C)[C@H]1CN(C(=O)c2cccnn2)C[C@@H]1O 1048757787 NZYZTHNAROMXGS-KBPBESRZSA-N 316.361 -0.076 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2ccnnc2)C1 1049632405 XZXHMSWCPOJCLZ-KBPBESRZSA-N 316.361 -0.220 30 20 DBED C=CCN1C[C@@H]2CCCN(C(=O)Cn3cnc(C(N)=O)n3)[C@@H]2C1 1050049314 JUGCFAVRGNMUJT-NWDGAFQWSA-N 318.381 -0.514 30 20 DBED C=CCN1C[C@@H]2CCCN(C(=O)CN3CCOCC3=O)[C@@H]2C1 1050063478 KQPHHUKOOROLSV-UONOGXRCSA-N 307.394 -0.046 30 20 DBED C[C@H](NC(=O)CC(N)=O)[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 1050497494 BQFOTYLBITWXAV-UWVGGRQHSA-N 317.349 -0.271 30 20 DBED C=CCOCC(=O)N[C@H](C)[C@@H]1CCN(C(=O)Cn2ncnn2)C1 1050808192 KBVXWMZUYNZREB-VXGBXAGGSA-N 322.369 -0.771 30 20 DBED COCCn1ccc(C(=O)NC[C@@H]2COCCN2CC#N)n1 1051019774 GOWQILRQYHTMIN-GFCCVEGCSA-N 307.354 -0.516 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)c1ccc2oc(O)nc2n1 1051207708 VBVQFZDMORGJKG-JTQLQIEISA-N 316.317 -0.008 30 20 DBED Cn1ncc(CCC(=O)N2CCOC3(CN(CC#N)C3)C2)n1 1053431593 NYSRNKFHCHPNDW-UHFFFAOYSA-N 304.354 -0.816 30 20 DBED CC#CCN1CC2(CC[C@H](CNC(=O)[C@@H]3CCN(C)C3=O)O2)C1 1053642827 LTWYIMZJYWOFJE-KGLIPLIRSA-N 319.405 -0.162 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)C[C@H]3CCC(=O)NC3)CO2)C1 1053827717 HFJIRNJHDMMKQZ-ZIAGYGMSSA-N 319.405 -0.115 30 20 DBED C[C@]1(C(=O)N[C@@H]2COC3(C2)CN(CC#N)C3)CCNC(=O)C1 1053843543 PMTHGPOHFAOCGV-FZMZJTMJSA-N 306.366 -0.614 30 20 DBED C=C(C)CN[C@@H]1CN(C(=O)Cn2ccc(O)nc2=O)C[C@H]1C 1054874487 NHJGJOXQPLQNDJ-VXGBXAGGSA-N 306.366 -0.039 30 20 DBED COC[C@H](OC)C(=O)N1C[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2C1 1055332080 JCHZACUQDJMNDB-ZNMIVQPWSA-N 320.389 -0.022 30 20 DBED N#Cc1ccc(N2CCN(C(=O)C3=COCCO3)CC2)nn1 1055713021 XUAUTJQMEIIEPZ-UHFFFAOYSA-N 301.306 -0.115 30 20 DBED CN1CCO[C@H](C(=O)N2CCN(c3cncc(C#N)n3)CC2)C1 1055751073 NKXJOQCKOKNITK-ZDUSSCGKSA-N 316.365 -0.673 30 20 DBED O=C(C#CC1CC1)N[C@]1(CO)CCCN(C(=O)[C@H]2CCOC2)C1 1055936118 CEZVTKLVOZRFFE-WMLDXEAASA-N 320.389 -0.094 30 20 DBED C=CCOCC(=O)N1CCC[C@](CO)(NC(=O)c2cnco2)C1 1056023205 MBLHNYWHRSDDBE-HNNXBMFYSA-N 323.349 -0.040 30 20 DBED Cn1cnc(C(=O)NC2[C@H]3CN(c4cncc(C#N)n4)C[C@H]23)n1 1056202963 QJNNGHQZIJBXTJ-UWVGGRQHSA-N 310.321 -0.659 30 20 DBED Cc1ccnn1CC(=O)NCCN(CCO)C(=O)C#CC(C)C 1057524335 CZSHIZUTNBOSKY-UHFFFAOYSA-N 320.393 -0.212 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)CN1CC[C@H](C)C1 1057524654 LSYZXULVRZUPPY-HNNXBMFYSA-N 323.437 -0.075 30 20 DBED N#Cc1nccnc1N1CCC[C@@H](NC(=O)[C@@H]2COC(=O)N2)C1 1058152203 MFPGBJLWOZVORX-KOLCDFICSA-N 316.321 -0.458 30 20 DBED N#Cc1cccnc1N1CC[C@@H](NC(=O)Cn2cnnc2O)C1 1058320464 CQIKKVRSQMCXDX-LLVKDONJSA-N 313.321 -0.355 30 20 DBED N#Cc1cnc(N[C@H]2C[C@H](NC(=O)[C@@H]3CCNC(=O)C3)C2)cn1 1059184464 BCKAWJBCKISHLQ-GMTAPVOTSA-N 314.349 -0.066 30 20 DBED N#Cc1cnc(N[C@H]2C[C@@H](NC(=O)Cn3cnnc3O)C2)cn1 1059594891 CLKPGNZEQBDZDL-DTORHVGOSA-N 314.309 -0.595 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H]1COCCN1C(=O)CSC 1061580666 CVVVMYYYMHVWOF-VXGBXAGGSA-N 314.407 -0.269 30 20 DBED Cc1nccn1CC(=O)N1CCOC[C@H]1CNC(=O)[C@@H](C)C#N 1061852800 MQAPMKAKWJWRPE-WCQYABFASA-N 319.365 -0.305 30 20 DBED C=C[C@@](C)(O)CC(=O)NC1(CNC(=O)CNC(C)=O)CCC1 1062410237 JALHFCRGQPWYNC-CQSZACIVSA-N 311.382 -0.395 30 20 DBED C#CCOCCC(=O)NC1(CNC(=O)CN(C)C(C)=O)CCC1 1062581804 OENGMCADWHLSSR-UHFFFAOYSA-N 323.393 -0.340 30 20 DBED C#CCOCCC(=O)NC1(CNC(=O)[C@@H]2CCNC2=O)CCC1 1063910452 VRVFGMAQCTUQRJ-GFCCVEGCSA-N 321.377 -0.683 30 20 DBED N#Cc1cnc(N2CC[C@H]3CC[C@@H](C2)N3C(=O)CC(N)=O)cn1 1064466152 HJCMARYNUFGRHE-NEPJUHHUSA-N 314.349 -0.207 30 20 DBED C=CCCCC(=O)NC[C@@H]1CN(C(=O)CNC(C)=O)CCO1 1064780987 JJDBFCOIXNLWSV-CYBMUJFWSA-N 311.382 -0.178 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CN(C(=O)c2cnn(C)c2)CCO1 1064842497 FRGJEKIHYXZVRR-JQWIXIFHSA-N 305.338 -0.463 30 20 DBED CO[C@@H](C)C(=O)NC[C@H]1CN(C(=O)CSCC#N)CCO1 1064880713 GNQUOUHXCLWRKM-QWRGUYRKSA-N 315.395 -0.378 30 20 DBED C=CCC(CC=C)C(=O)N1CCO[C@H](CNC(=O)CC(N)=O)C1 1065186758 OIPNPDFLHPYFTN-CYBMUJFWSA-N 323.393 -0.026 30 20 DBED C=C(C)CCC(=O)N1CCO[C@H](CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 1065224060 JXIQYDFFQREEGO-UPJWGTAASA-N 323.393 -0.192 30 20 DBED N#Cc1cncc(N2C[C@H]3C[C@H](NC(=O)C(N)=O)C[C@H]2C3)n1 1065553863 OJJACUAZJBRNNG-ATZCPNFKSA-N 300.322 -0.693 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](CNC(=O)c3ccncc3)C2)nn1 1067642971 NUFWBGZHJBZQLA-OCCSQVGLSA-N 324.344 -0.030 30 20 DBED C[C@H](C#N)C(=O)N(C)CCCN(C)C(=O)[C@@H]1CCN(C)C1=O 1067982467 UBASPCANUHGPLC-NEPJUHHUSA-N 308.382 -0.069 30 20 DBED CNC(=O)CC(=O)NC[C@H]1CCC2(CN(C(=O)[C@@H](C)C#N)C2)O1 1068562680 CHHONLUXJGOCQC-WDEREUQCSA-N 322.365 -0.842 30 20 DBED C=CCCC(=O)N1CC2(C[C@H](NC(=O)c3nnn(C)n3)CO2)C1 1068963763 BRARTWXDKDFKGN-JTQLQIEISA-N 320.353 -0.724 30 20 DBED C=CCCC(=O)N1CC2(C[C@@H](NC(=O)c3nnn(C)n3)CO2)C1 1068963764 BRARTWXDKDFKGN-SNVBAGLBSA-N 320.353 -0.724 30 20 DBED N#CCN[C@@H]1CN(C(=O)Cc2ccoc2)C[C@@H]1n1ccnn1 1070182106 TZXZYVPFTOFLRW-OLZOCXBDSA-N 300.322 -0.021 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@@H]1n1ccnn1 1070217557 IEGKFXRRFRODGR-MCIONIFRSA-N 304.398 -0.407 30 20 DBED C#CCCN1C[C@H]2C[C@H]3CN(C(=O)[C@@H]4CCC(=O)N4)C[C@@]3(C1)O2 1070882644 YSICYNYBCLUZRF-QDEZUTFSSA-N 317.389 -0.410 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)[C@@H](OC)C(C)C)CC1 1070996061 GSKGXKMETGJWGZ-HNNXBMFYSA-N 309.410 -0.059 30 20 DBED C#CCN1C[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)CC[C@@H]1C 1071549645 SJEHLZRHZBWUMA-QWHCGFSZSA-N 318.377 -0.851 30 20 DBED C#CCCN1C[C@@H](NC(=O)CN2CCN(C)C(=O)C2)CC[C@@H]1C 1071619784 UKTBYMHAOVLPIS-GJZGRUSLSA-N 320.437 -0.247 30 20 DBED C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1NC(=O)CNC(N)=O 1071926046 RTZZVZQTDHAXSZ-LDYMZIIASA-N 318.337 -0.869 30 20 DBED C[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1NC(=O)CSCC#N 1072522276 RNILDZDEVJWCRU-RKDXNWHRSA-N 308.367 -0.362 30 20 DBED C[C@@H](C#N)C(=O)NC1(C)CCN(C(=O)[C@H]2CN(C)C(=O)N2)CC1 1073181762 BWDDCIGLFBNHIP-WDEREUQCSA-N 321.381 -0.333 30 20 DBED C#CCCCCCC(=O)N1CCC(O)(CNC(=O)C(N)=O)CC1 1074662307 OMBNFFOZZRUXCJ-UHFFFAOYSA-N 323.393 -0.475 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)c1ccsn1 1076218111 WLXJJELQYOVXLJ-JTQLQIEISA-N 322.390 -0.093 30 20 DBED C=C[C@](C)(O)CC(=O)NCC[C@H](C)NC(=O)c1c[nH]c(=O)cn1 1076305299 VTAHWEWEQOOBJP-BONVTDFDSA-N 322.365 -0.278 30 20 DBED C#CCN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)CN1CCOCC1=O)C2 1078969193 MBVOVDNOQRRKNT-MGPQQGTHSA-N 305.378 -0.553 30 20 DBED Cn1cnn(CCC(=O)N2C[C@H]3CC[C@H]2[C@@H](NCC#N)C3)c1=O 1079002454 QEIBMKWSDBCIJF-AVGNSLFASA-N 318.381 -0.535 30 20 DBED C#CCNC(=O)CC(=O)N1CC(N(CC)C(=O)[C@@H](C)C#N)C1 1080411027 CPONPPOUPQGORE-NSHDSACASA-N 304.350 -0.655 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CO)(NC(=O)[C@@H]2CCOC2)CC1 1080760443 FVGICNOQPHSUBT-VXGBXAGGSA-N 309.366 -0.348 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)c2ccnn2C)C[C@H]1O 1081333498 UJYZYZGYAXPRLR-DGCLKSJQSA-N 306.366 -0.065 30 20 DBED C=CCC(C)(C)C(=O)NC[C@H]1CN(C(=O)c2cnn[nH]2)C[C@@H]1O 1081492562 ZUVLTXYMQMMNFJ-JQWIXIFHSA-N 321.381 -0.044 30 20 DBED C=C(C)CCC(=O)NC[C@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1O 1081531714 WHHMGTMXJGLCJW-WDEREUQCSA-N 322.369 -0.885 30 20 DBED C=CC(C)(C)C(=O)NC[C@@H]1CN(C(=O)CNC(C)=O)C[C@H]1O 1081640836 RHNRFAZUOSJRJO-VXGBXAGGSA-N 311.382 -0.730 30 20 DBED C#CCCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2n[nH]cc2F)C1 1081745277 ZFPQDKVKSKBYLZ-CMPLNLGQSA-N 322.340 -0.099 30 20 DBED C=C1CC(C)(C(=O)NC[C@@H]2CN(C(=O)c3nc[nH]n3)C[C@@H]2O)C1 1081751908 BHMCGLOAWYJEBU-MNOVXSKESA-N 319.365 -0.290 30 20 DBED Cc1nn(C)c(F)c1C(=O)N1CCO[C@@H]2CN(CC#N)C[C@@H]21 1083261143 GHUPZUMAXFOPPY-WDEREUQCSA-N 307.329 -0.084 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2c[nH]nc2[C@H]2CCCO2)C1 1083721481 FKFFLYYQKFDNQC-FRRDWIJNSA-N 304.350 -0.331 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)c2ccc(C(N)=O)nc2)C1 1084116298 JQSRPEIFLHJPIH-OLZOCXBDSA-N 304.350 -0.469 30 20 DBED C=CCCn1cc(C(=O)N(C)C[C@H]2CCN2[C@@H](C)C(N)=O)nn1 1085863763 JCCVXXFBGZQHSY-NWDGAFQWSA-N 320.397 -0.126 30 20 DBED Cc1cn2ccnc(C(=O)N[C@H]3CCN(CC#N)C[C@H]3O)c2n1 1090706937 MFFOBQACYHXENO-NWDGAFQWSA-N 314.349 -0.274 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2ccc3oc(O)nc3n2)[C@@H](O)C1 1090722075 JWAUXXBIUHWCGI-SCZZXKLOSA-N 317.305 -0.383 30 20 DBED N#Cc1nc(=NCCNC(=O)c2cccnc2C(N)=O)cc[nH]1 1093664447 CBSZOUGQMNXOCU-UHFFFAOYSA-N 311.305 -0.894 30 20 DBED C[C@@H]1CN(C)C[C@H](C(=O)NCCNc2cnc(C#N)cn2)O1 1094226427 RXTWWKYCHIMRGN-ZYHUDNBSSA-N 304.354 -0.405 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)C[C@H]3CCCCO3)CC2=O)C1 1094719154 AEDKGVQTLGEHAX-UKRRQHHQSA-N 319.405 -0.020 30 20 DBED COCC(=O)N(C)CC(=O)NCCCNc1ccc(C#N)nn1 1094849786 LYAFRHXJHPGPOJ-UHFFFAOYSA-N 320.353 -0.629 30 20 DBED N#Cc1ccc(N2CCN(CCNC(=O)CC(N)=O)CC2)cn1 1096275314 XEHLLAUVQORAON-UHFFFAOYSA-N 316.365 -0.933 30 20 DBED C[C@H](CNC(=O)CN1CCCC1=O)Nc1nccnc1C#N 1097697700 YPELJSPLRKZBEV-SNVBAGLBSA-N 302.338 -0.113 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCCS1(=O)=O)Nc1nccnc1C#N 1097884221 XYULGGYAWVINEU-GXSJLCMTSA-N 323.378 -0.158 30 20 DBED C=CCNCc1cn([C@H]2CCN(C(=O)c3nc[nH]n3)C2)nn1 1098752346 WMXVQRSKEYCUJE-NSHDSACASA-N 302.342 -0.241 30 20 DBED C[C@@H](CCNC(=O)[C@@H]1CCNC1=O)N=c1cc[nH]cc1C#N 1099617298 SUFDEMVHPBSZDP-JQWIXIFHSA-N 301.350 -0.182 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)CCn2cncn2)[C@H](O)C1 1099679194 WAZZEKBXRNULON-ZIAGYGMSSA-N 323.397 -0.578 30 20 DBED C=C(C)CCN1CC[C@@H](NC(=O)CS(C)(=O)=O)[C@H](O)C1 1099718386 LVXFLXGPWSILNW-VXGBXAGGSA-N 304.412 -0.451 30 20 DBED C=C(Cl)CN1CC[C@@H](NC(=O)CNC(=O)CC)[C@@H](O)C1 1099738447 NMRJUZFAGPSHFU-MNOVXSKESA-N 303.790 -0.184 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(Cc2ccn(C)n2)C[C@@H]1O 1099741230 PTYFJVCTJPINOA-KBPBESRZSA-N 308.382 -0.326 30 20 DBED N#CCNC(=O)CN1CC[C@H](NC(=O)Cc2ccoc2)[C@H](O)C1 1099787139 UGNJZKUIOSGOAU-QWHCGFSZSA-N 320.349 -0.987 30 20 DBED C=CCCCN1CC[C@@H](NC(=O)CCNC(=O)NC)[C@H](O)C1 1099813070 JNUVJLOGCHWHAG-CHWSQXEVSA-N 312.414 -0.177 30 20 DBED CCC1(C(=O)N[C@H]2CCN(CC(=O)NCC#N)C[C@@H]2O)CC1 1099989948 VUMXFJDUGKTQAP-RYUDHWBXSA-N 308.382 -0.632 30 20 DBED CN(CCNC(=O)[C@@H]1CCS(=O)(=O)C1)c1nccnc1C#N 1100227468 WDRFVZHGSOINNN-SNVBAGLBSA-N 323.378 -0.665 30 20 DBED CCN(CCNC(=O)CNC(=O)OC)c1cnc(C#N)cn1 1100451506 QJHZQMWTVIEJNG-UHFFFAOYSA-N 306.326 -0.353 30 20 DBED CC#CCNC1CC(CNC(=O)[C@@H](CCC(N)=O)NC(C)=O)C1 1100763250 PILWKCMBSUIVFM-JXQTWKCFSA-N 322.409 -0.736 30 20 DBED C=C(Cl)CNC1CC(CNC(=O)CN2C(=O)CNC2=O)C1 1100956047 MGZJLLPZXYSYGO-UHFFFAOYSA-N 314.773 -0.225 30 20 DBED C#CCCN1C[C@@H](C)[C@H](CNC(=O)CNS(=O)(=O)CC)C1 1102016951 XFTDGSKABNLMKX-CHWSQXEVSA-N 315.439 -0.367 30 20 DBED C[C@@H]1CN(C)C[C@H](C(=O)N(C)CCNc2cncc(C#N)n2)O1 1102019941 HWXKKMVXRHYKOH-DGCLKSJQSA-N 318.381 -0.062 30 20 DBED CNC(=O)CC(=O)N1CC[C@H](CN(C)c2ccnc(C#N)n2)C1 1102437941 BHJPOWIEMUTHQU-LLVKDONJSA-N 316.365 -0.231 30 20 DBED N#Cc1nccc(N2CCCC[C@@H](NC(=O)CC(N)=O)C2)n1 1102862793 FHTXFQAGDZWSFX-SNVBAGLBSA-N 302.338 -0.301 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)Cc1cnn(C)c1 1103890389 WGGKOMWIOMHJQT-NSHDSACASA-N 313.365 -0.089 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)[C@@H]1CC(=O)N(C)C1 1104844002 FRMFCBJZBMNREE-WDEREUQCSA-N 316.365 -0.493 30 20 DBED CC(=O)N1CCO[C@H](C(=O)N2C[C@@H](C)[C@H](CCNCC#N)C2)C1 1104967735 ZAIPAWMNMZQNDA-YUELXQCFSA-N 322.409 -0.169 30 20 DBED CN1C[C@H](C(=O)N(C)CCN(C)c2nccnc2C#N)CC1=O 1105584889 QBIGANQUBWMXLQ-LLVKDONJSA-N 316.365 -0.279 30 20 DBED CCC(=O)NCC(=O)NC[C@@H](O)CNc1nc(C)ccc1C#N 1105771312 IYRLRTSFZLSMEZ-GFCCVEGCSA-N 319.365 -0.323 30 20 DBED CCn1ccnc1C(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1 1105801625 AKEMITVWMPTXLN-JTQLQIEISA-N 315.337 -0.811 30 20 DBED N#Cc1cccnc1NC[C@@H](O)CNC(=O)Cn1ccnc1 1105882345 FMASTICINPNCHR-LBPRGKRZSA-N 300.322 -0.261 30 20 DBED CN(C)CC1(C(=O)NC[C@H](O)CNc2cncc(C#N)n2)CC1 1106099346 BLHLJTCJTKCZDN-GFCCVEGCSA-N 318.381 -0.421 30 20 DBED C[C@@H]1CCCN1CC(=O)NC[C@H](O)CNc1cncc(C#N)n1 1106108819 PYHDTABQKPVRBR-DGCLKSJQSA-N 318.381 -0.278 30 20 DBED C[C@H](NC(N)=O)C(=O)NC/C=C\CNc1ccc(C#N)nn1 1107169190 XXPBORKCJMNHSV-XADBCAIWSA-N 303.326 -0.511 30 20 DBED CCc1nc(C#N)cc(NC[C@@H](C)NC(=O)[C@H]2CCNC2=O)n1 1108039894 MBBCPGNCDGQFQU-KOLCDFICSA-N 316.365 -0.037 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)C[C@H]2CCCC(=O)N2)C1 1108062558 DIYUYLAXIJEODM-CZUORRHYSA-N 307.394 -0.115 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)[C@H](C3CC3)N(C)C)CC2=O)C1 1108551764 FQXWBKJQIIHZSE-BBRMVZONSA-N 320.437 -0.086 30 20 DBED C[C@@H](CNc1cnc(C#N)cn1)NC(=O)c1nnc(O)nc1O 1108782039 LTJIJJCLURIHOU-LURJTMIESA-N 316.281 -0.825 30 20 DBED CC(=O)N1CC(C(=O)N[C@@H](C)CN(C)c2ccnc(C#N)n2)C1 1108918074 VLUABKHLGPAZQT-JTQLQIEISA-N 316.365 -0.233 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cncn1C 1109490471 WOMWKFSZRZYNMF-AGIUHOORSA-N 315.377 -0.495 30 20 DBED Cn1cnn(CCC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC#N)c1=O 1109558186 QZILQYVPUMGLJD-WOPDTQHZSA-N 304.354 -0.783 30 20 DBED Cc1nc(NC2(CNC(=O)CNC(N)=O)CC2)ccc1C#N 1110043492 QXNFQMWRUXIZQO-UHFFFAOYSA-N 302.338 -0.009 30 20 DBED CN1CC[C@H](C(=O)NCC2(N=c3cc[nH]cc3C#N)CC2)C1=O 1110306922 GTGQENJTOOUOBS-GFCCVEGCSA-N 313.361 -0.086 30 20 DBED C[C@H](C(=O)NCC1(Nc2cncc(C#N)n2)CC1)S(C)(=O)=O 1110391013 QTLKOZXNEOPTOI-SECBINFHSA-N 323.378 -0.158 30 20 DBED CNC(=O)CC(=O)NC[C@@]1(O)CCN(c2ncccc2C#N)C1 1111062546 JKNOHAKBEVSQLH-HNNXBMFYSA-N 317.349 -0.853 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@]1(O)CCN(c2ncccn2)C1 1111097635 CYWNSLCPMAIPSY-SWLSCSKDSA-N 304.350 -0.428 30 20 DBED Cn1nnc(C(=O)NCC2(N=c3cc[nH]cc3C#N)CCC2)n1 1111887382 QYYTVMYFXVVTSL-UHFFFAOYSA-N 312.337 -0.337 30 20 DBED COCC(=O)NC[C@H]1CN(c2nc(C)cc(C#N)n2)C[C@@H]1O 1112692266 LAPRYRGJXRWHSZ-JQWIXIFHSA-N 305.338 -0.784 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCN(Cc2nnnn2C(C)C)CC1 1112837398 GNHZMHKENVMTHD-ZDUSSCGKSA-N 320.397 -0.064 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)[C@@H](C)OCC#C)CC1 1112841840 OQOAXJCTSOPDPU-UONOGXRCSA-N 305.378 -0.693 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)c2[nH]c(O)nc2C)CC1 1112991763 VWLPATQIJKBTLS-LLVKDONJSA-N 319.365 -0.681 30 20 DBED C[C@H](NC(=O)CCNC(N)=O)[C@@H](C)Nc1ccc(C#N)nn1 1113039772 VDPZBZSWRRLYMY-BDAKNGLRSA-N 305.342 -0.288 30 20 DBED C[C@H](Nc1ccc(C#N)nn1)[C@@H](C)NC(=O)Cn1nccn1 1113173694 RKGRQIIBRJJQJW-VHSXEESVSA-N 300.326 -0.055 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)[C@H](CC)NC(C)=O)CC1 1113368833 WVYPODFZGSKRQU-JSGCOSHPSA-N 324.425 -0.264 30 20 DBED C=C(C)CN1CCN(C(=O)[C@@H](CCC(N)=O)NC(C)=O)CC1 1113435629 RSQOGSOFYRUZNE-CYBMUJFWSA-N 310.398 -0.523 30 20 DBED CC#CCN1CCN(C(=O)CNC(=O)C2CCOCC2)CC1 1113439826 WTAZRKASPCCTFD-UHFFFAOYSA-N 307.394 -0.303 30 20 DBED C=CCOCCN1CCN(C(=O)Cn2c(O)nnc2O)CC1 1113583606 VQZOQXXPCIPLOW-UHFFFAOYSA-N 311.342 -0.964 30 20 DBED C=CCOCCN1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)CC1 1113637633 VHBUGFMDCSOMPY-GFCCVEGCSA-N 317.411 -0.975 30 20 DBED C[C@@H](CNC(=O)CC(=O)N(C)C)N(C)c1ccc(C#N)nn1 1113917327 TVXIYVKSABMOFF-JTQLQIEISA-N 304.354 -0.233 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)c3cnsn3)[C@@H]2C1 1113926251 XSGYLGBGCMYBTE-IVZWLZJFSA-N 319.390 -0.664 30 20 DBED N#CCNC(=O)CN1C[C@@H]2C(NC(=O)CC(F)(F)F)[C@H]2C1 1113980117 XCNJUEFXWGQPBI-YUMQZZPRSA-N 304.272 -0.375 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)COCCCC)[C@H]2C1 1114095329 GXJRKHQFQRKPPZ-NYTXWWLZSA-N 321.421 -0.013 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@H](C)n3cccc3)[C@H]2C1 1114143407 NZAVTCWKRJVHSI-TTZDDIAXSA-N 314.389 -0.155 30 20 DBED CNC(=O)NC(=O)CN1C[C@@H]2C(NC(=O)C#CC(C)C)[C@H]2C1 1114240314 VEABSEWUECIDKM-QWRGUYRKSA-N 306.366 -0.852 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)c3nn(C)cc3C)[C@@H]2C1 1114247867 PZZGZPBUBUCENO-VXGBXAGGSA-N 315.377 -0.862 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H]1[C@@H]2CN(CCn3cccn3)C[C@@H]21 1114263521 WPOIHSUKJCXHNI-BYNSBNAKSA-N 302.378 -0.032 30 20 DBED N#Cc1ccc(N2C[C@H]3[C@H](CNC(=O)CNC(N)=O)[C@H]3C2)cn1 1114500899 QOTFBLHLRVVZKR-XYYAHUGASA-N 314.349 -0.580 30 20 DBED CNC(=O)CC(=O)NCC[C@@H](N=c1cc[nH]c(C#N)n1)C(C)C 1115319594 MSZUUZMKHUQSLP-LLVKDONJSA-N 318.381 -0.151 30 20 DBED Cc1cc(=N[C@H](C)CN(C)C(=O)[C@H](C)NC(N)=O)c(C#N)c[nH]1 1115674191 AOKUVDBRYGFTQF-MNOVXSKESA-N 318.381 -0.001 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)NCc1cnc(N(C)C)n1C 1117338779 DAHZEBIJOHUVMF-SNVBAGLBSA-N 309.370 -0.581 30 20 DBED C#CCSCCNC(=O)C(=O)N1C[C@H](OC)[C@H](OC)C1 1117412200 PFMKVFOPIPMYJM-PHIMTYICSA-N 300.380 -0.659 30 20 DBED C[C@H](CN(C)C(=O)Cn1ncnn1)Nc1ccc(C#N)cn1 1120128884 SEEMOMAYZLTZJJ-SNVBAGLBSA-N 300.326 -0.101 30 20 DBED C#CCCn1nnnc1N1CCN(c2cnn(C)c2)C(=O)C1 1120142271 HJGSPHFDGUEJGC-UHFFFAOYSA-N 300.326 -0.717 30 20 DBED C[C@@H](CN(C)C(=O)[C@H]1CCNC1=O)Nc1cnc(C#N)cn1 1120408110 LACKFNUXFAIREZ-ONGXEEELSA-N 302.338 -0.257 30 20 DBED C[C@@H](CCN1CCN(C)CC1)NC[C@@H](O)CN(C)CCC#N 1120588943 IXILXAZZKUSUOD-JKSUJKDBSA-N 311.474 -0.192 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@H](CO)Nc1cncc(C#N)n1 1121405417 NEZRELGWBNJSED-SMDDNHRTSA-N 305.338 -0.436 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)CCCC(N)=O)nc1 1121712469 YUIVKFXCKLVPEC-LLVKDONJSA-N 305.338 -0.502 30 20 DBED CCCNC(=O)NC(=O)CNCCNC(=O)CSCC#N 1123792536 YTQNWWWXPZLVMO-UHFFFAOYSA-N 315.399 -0.815 30 20 DBED CN(C[C@@H](O)CNc1cncc(C#N)n1)C(=O)CCCC(N)=O 1124393877 MYIHIIUKRVHSID-NSHDSACASA-N 320.353 -0.765 30 20 DBED CN(C[C@@H](O)CNc1ccc(C#N)cn1)C(=O)[C@@H]1CCNC1=O 1124693298 DDAYEVZWWITGNF-NWDGAFQWSA-N 317.349 -0.679 30 20 DBED C[C@@H](CC(N)=O)C(=O)N(C)C[C@@H](O)CNc1cncc(C#N)n1 1124695238 WKOWRRNERNDVNB-ONGXEEELSA-N 320.353 -0.909 30 20 DBED CCOCC(=O)N(C)C[C@H](O)CN(C)c1nc(C)cc(C#N)n1 1124952040 PCXGLVUMYFYJMH-ZDUSSCGKSA-N 321.381 -0.051 30 20 DBED CO[C@@H](C)C(=O)N(C)C[C@@H](O)CN(C)c1ccnc(C#N)n1 1124957976 OZINBIPDRQHQDT-QWRGUYRKSA-N 307.354 -0.361 30 20 DBED CCCn1nnnc1CNCCNC(=O)c1cc(C#N)c[nH]1 1125369783 ACMFBZRXPMJHDN-UHFFFAOYSA-N 302.342 -0.198 30 20 DBED CC(C)C#CC(=O)NCCNCC(=O)N(C)Cc1cnn(C)c1 1126822813 KRDGTAXPKNWKLH-UHFFFAOYSA-N 319.409 -0.256 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)CN(C)C(C)=O)C1 1128731967 WZLWOSCZFWLTAQ-OLZOCXBDSA-N 306.370 -0.716 30 20 DBED C#CCN1CC[C@H](c2n[nH]cc2CNC(=O)Cn2ncnn2)C1 1130388818 AKXIRAIITVGSSD-NSHDSACASA-N 314.353 -0.865 30 20 DBED C=CCOCC(=O)N1C[C@@H](C)O[C@]2(CCN(CC(N)=O)C2)C1 1131645587 HOTJNLJEXOQLIR-DOMZBBRYSA-N 311.382 -0.634 30 20 DBED C#CCNC(=O)CN1C[C@H](NC(=O)Cc2cc[nH]n2)CC[C@H]1C 1131917521 IBJWOYNHMDRDIJ-TZMCWYRMSA-N 317.393 -0.329 30 20 DBED C=C(C)CN(CC)C(=O)CNCCNC(=O)[C@@H]1CC[C@H]1C(N)=O 1132339052 YYHBZIBPDDQYRO-CHWSQXEVSA-N 324.425 -0.372 30 20 DBED CC(C)C#CC(=O)N1CC[C@@H](C)[C@H](CNCC(=O)NC(N)=O)C1 1132809237 NEGIUQPVJTUHMD-CHWSQXEVSA-N 322.409 -0.085 30 20 DBED C=C(C)CN(CC)C(=O)CNCCNC(=O)[C@H](COC)OC 1133516393 ABVKIVIFSJIHSK-ZDUSSCGKSA-N 315.414 -0.222 30 20 DBED C#CCCN[C@@H](C)C[C@@H](C)NC(=O)CNS(=O)(=O)CC 1134499466 DBPHNUUDSUDQOU-NWDGAFQWSA-N 303.428 -0.178 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)Cn1ccc(C)n1 1135493643 XBUMZLPHMXHYOR-UONOGXRCSA-N 319.409 -0.186 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN([C@@H](CC)C(N)=O)CCCO1 1149385100 ZLEOTFRCXAOGEC-OLZOCXBDSA-N 313.398 -0.340 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@H]1COc2ccccc2O1 1149843168 BKVXIPQECSGOCE-CQSZACIVSA-N 317.345 -0.718 30 20 DBED C=CCNC(=O)CN(CC)[C@H](C)CNC(=O)CC(=O)NCC 1152861714 IXQUTBPMTHWEPK-GFCCVEGCSA-N 312.414 -0.359 30 20 DBED C#CCNC(=O)CC(=O)NCCCNCC(=O)N[C@@H](C)C1CC1 1156852405 BXNQRWBGVLMTNP-LBPRGKRZSA-N 322.409 -0.864 30 20 DBED C#CCCN1CCC(CNC(=O)[C@H]2CNC(=O)N2)(COC)CC1 1162441632 QGMMMQCYKOAOOW-CYBMUJFWSA-N 322.409 -0.464 30 20 DBED C#CCNCC1(CCNC(=O)CS(=O)(=O)CCOC)CC1 1165775862 ATABIXISCCCMON-UHFFFAOYSA-N 316.423 -0.443 30 20 DBED C=CCCNCC1(CCNC(=O)CN2CC(=O)NC2=O)CC1 1167468640 KPZBWUHFSYOXTB-UHFFFAOYSA-N 308.382 -0.010 30 20 DBED C=CCNC(=O)CNCCCNC(=O)c1cn(CC2CC2)nn1 1169530898 IOZXJAISZDGHNA-UHFFFAOYSA-N 320.397 -0.300 30 20 DBED CCOCC(=O)N1CC[C@H]2OCCN(CC#CCOC)[C@@H]2C1 1176901020 UWYIPJGISUJIGB-HUUCEWRRSA-N 310.394 -0.026 30 20 DBED C=C(C)CN1CCO[C@H]2CCN(C(=O)CNC(=O)NC)C[C@@H]21 1177024606 JCZIZBKPVZGZHV-STQMWFEESA-N 310.398 -0.207 30 20 DBED C#CCCN1CCO[C@@H]2CCN(C(=O)COCCN(C)C)C[C@@H]21 1177137809 GSLMWPUBOKUZKD-JKSUJKDBSA-N 323.437 -0.110 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)[C@H]2COCCO2)[C@H]1C 1178144275 SNJOKUBIEDQWHZ-RWMBFGLXSA-N 311.382 -0.717 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)[C@H]1C 1179967869 KHQVYHNDYNSEED-SRVKXCTJSA-N 308.382 -0.854 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@@H](C)[C@](C)(CNCC(=O)NC)C1 1181433767 UTLRITVEAVBVEC-DVOMOZLQSA-N 309.410 -0.155 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)c2cc(OC)ncn2)C1 1182615759 OKAITCXQICXNOE-GFCCVEGCSA-N 304.350 -0.061 30 20 DBED C=C(C)CCNCc1cn([C@@H]2CCCN(C(=O)C(N)=O)C2)nn1 1185992218 GYRIWVZFHUSAFS-CYBMUJFWSA-N 320.397 -0.017 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)CNC(=O)[C@H](C)CC)C1 1187901620 HGXCFEFSQHGXMF-CHWSQXEVSA-N 322.409 -0.911 30 20 DBED COCC#CCN(C)[C@@H]1CCN(C(=O)CCn2cncn2)C1 1188894040 AAYNLJJILMJHSJ-CQSZACIVSA-N 305.382 -0.149 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)C[C@H]2CCOC2)C1 1189489331 IXTNPOUPRCZZCN-ZIAGYGMSSA-N 307.394 -0.305 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](N(C)CCN2CCNC2=O)C1 1190129510 VMGSXJSGZFRNQC-CQSZACIVSA-N 322.409 -0.416 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)c2cnc(C)[nH]2)C1 1191771029 JWIVKPQLEGORIO-OASPWFOLSA-N 321.381 -0.816 30 20 DBED CN(CC(=O)NCC#N)[C@H]1CCN(C(=O)c2n[nH]cc2F)C1 1192205827 IYYFRMLIPKOHHH-VIFPVBQESA-N 308.317 -0.665 30 20 DBED CC(C)C#CC(=O)N1CCCO[C@@H](CN[C@H]2CCNC2=O)C1 1200461054 FFELKHABSIOZLQ-KBPBESRZSA-N 307.394 -0.259 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CCN(C(=O)c2nonc2C)CC1 1204100506 IQDNKKBNASUFQZ-LLVKDONJSA-N 319.365 -0.290 30 20 DBED C#CCN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)COCc1ncnn1C)C2 1204852854 LPMOSRBDMGASDL-MGPQQGTHSA-N 317.393 -0.066 30 20 DBED Cn1nnnc1CN[C@@H]1CCCN(C(=O)CSCC#N)C1 1207409350 DBFBBFZRZMANSG-SNVBAGLBSA-N 309.399 -0.453 30 20 DBED C#CCOCCC(=O)N1CCC[C@@H](N[C@@H](C)C(=O)NC(N)=O)C1 1208029328 TUGYWQKEZLYXTR-NWDGAFQWSA-N 324.381 -0.810 30 20 DBED C#CCOCCC(=O)N1CCC[C@H](NCc2nnn(C)n2)C1 1208032454 RKSRZEIFFJZDPB-LBPRGKRZSA-N 306.370 -0.669 30 20 DBED C=CCOCCN[C@@H]1CCCN(C(=O)c2nnc(O)nc2O)C1 1208498215 NJEVVBJIVPNMIO-SNVBAGLBSA-N 323.353 -0.320 30 20 DBED C=CCOCCN1C[C@@H](NC(=O)CN2C(=O)CCC2=O)[C@H](C)C1 1210884693 YVZVKVHGWVJXLK-CHWSQXEVSA-N 323.393 -0.226 30 20 DBED C=C(C)CN1C[C@@H](NC(=O)[C@@H](C)S(C)(=O)=O)[C@H](OC)C1 1212472551 YBCJAINABREZID-IJLUTSLNSA-N 304.412 -0.189 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2c[nH]cc2C)[C@H](OC)C1 1213857405 MGNZHKUWEFLOKI-ZIAGYGMSSA-N 318.377 -0.498 30 20 DBED C#CCN[C@@H]1CN(C(=O)CS(=O)(=O)CCOC)C[C@H]1C 1214984459 OGBDXLWFYOMERH-VXGBXAGGSA-N 302.396 -0.883 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)c2c(C)n[nH]c2C)C[C@H]1C 1215956996 WHYCAASKYJRMEE-ZWNOBZJWSA-N 317.393 -0.174 30 20 DBED C=CCCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)Cn1cnnn1 1217248230 AQEGZFJKPQUWMN-QWHCGFSZSA-N 306.370 -0.449 30 20 DBED Cc1cc(CN2C[C@H](O)[C@H](NC(=O)CSCC#N)C2)no1 1219217971 GIIUFDSHEUWCFP-NEPJUHHUSA-N 310.379 -0.099 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN([C@H](C)c2ncccn2)C[C@@H]1O 1219611846 MMWOZGBVNYQODW-MCIONIFRSA-N 318.377 -0.261 30 20 DBED C=CCCCN1C[C@H](O)[C@H](NC(=O)CCS(=O)(=O)NC)C1 1219616843 HVPMNLLMCBITAQ-NEPJUHHUSA-N 319.427 -0.947 30 20 DBED C=C(C)C(C)(C)C(=O)N[C@@H]1CN(C[C@@H](O)COC)C[C@@H]1O 1220134090 XYIKRBMQSXOMOD-UPJWGTAASA-N 300.399 -0.243 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)CNC(=O)c2cccnc2)C1 1220396068 HVXFTKLXFZQUFB-OLZOCXBDSA-N 304.350 -0.841 30 20 DBED C=CCCCN1C[C@H](O)[C@H](NC(=O)c2ccc(C(N)=O)nc2)C1 1221165940 CDYRCQLQNXKWAW-KGLIPLIRSA-N 318.377 -0.078 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3ccon3)[C@@H]2C1 1221322268 VMJLIJVOPGNSMU-DGCLKSJQSA-N 302.334 -0.430 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3ncoc3C)[C@@H]2C1 1221353579 BFPKTAWTGPVQAK-CHWSQXEVSA-N 316.361 -0.121 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC(CNC(=O)c2ncc[nH]2)CC1 1223097079 VFQICXZWMOIKKN-GFCCVEGCSA-N 317.393 -0.011 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)[C@H]2CCCN2C)CC1 1226554008 GTISPGMPPXYRCB-CQSZACIVSA-N 306.410 -0.589 30 20 DBED C#CCOCCC(=O)NC1CCN([C@H](C)c2nnnn2C)CC1 1227322931 IEPJAJZNGZAGRO-GFCCVEGCSA-N 320.397 -0.108 30 20 DBED CN(C[C@H]1CCN1CC(=O)NCC#N)C(=O)COCC1CC1 1230866601 RAZZWIDVHHOXHJ-CYBMUJFWSA-N 308.382 -0.415 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C[C@@H]1CCN1Cc1cnn(C)n1 1234214345 AFGOBZDTCRGGGQ-JSGCOSHPSA-N 305.382 -0.114 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)CCCNC(=O)CNC(=O)CCC 1234641733 RUBQAHQTDOBSKU-CYBMUJFWSA-N 324.425 -0.521 30 20 DBED C=C(Br)CNC(=O)C(=O)NC[C@@]1(OC)CCOC1 1261186567 KBIBVZDDJFBYDG-NSHDSACASA-N 321.171 -0.067 30 20 DBED C=CC[C@H](NC(=O)c1cn(CC(=O)N(C)C)nn1)C(=O)OCC 1320419812 IPYQJYZNLZQEJJ-JTQLQIEISA-N 323.353 -0.396 30 20 DBED CN(C(=O)COC(=O)CC[C@@H]1NC(=O)NC1=O)C(C)(C)C#N 1321561375 CXRYUACDAQBMDO-QMMMGPOBSA-N 310.310 -0.722 30 20 DBED C#CCNC(=O)COC(=O)C1CCC2(CC1)NC(=O)NC2=O 1321732854 HHWKZMNRYDMKDP-UHFFFAOYSA-N 307.306 -0.953 30 20 DBED C=CCNC(=O)[C@H](C)S(=O)(=O)Cc1cccc(C(N)=O)n1 1322421972 UVLCTOADQNMJCJ-VIFPVBQESA-N 311.363 -0.214 30 20 DBED CC1(C)OC[C@H](CNC(=O)C(=O)NC2CCN(CC#N)CC2)O1 1322823704 NQFYWRILCSTKIC-LBPRGKRZSA-N 324.381 -0.642 30 20 DBED Cn1cc(N2CC[C@H](NC(=O)C(=O)NCCCC#N)C2=O)cn1 1323071464 ZEPOMPMPGUYEOM-NSHDSACASA-N 318.337 -0.938 30 20 DBED C=C[C@@H](COC)NC(=O)N1CC[C@@H](S(=O)(=O)NCC)C1 1324015917 SCFBKBZNXLZCHP-WDEREUQCSA-N 305.400 -0.089 30 20 DBED CC(C)(CNC(=O)C(=O)N1CC[C@](F)(C#N)C1)S(C)(=O)=O 1324201579 BBUALMNAZCMHRJ-LBPRGKRZSA-N 319.358 -0.610 30 20 DBED C=CCn1c(O)nnc1S(=O)(=O)CC(=O)NCC1CC1 1326699351 XUFGWQYHFJEZQR-UHFFFAOYSA-N 300.340 -0.530 30 20 DBED C=C(C)C[C@H](NC(=O)Cn1ncn2nccc2c1=O)C(=O)O 1330252692 JHDVSSDYDYHYES-VIFPVBQESA-N 305.294 -0.573 30 20 DBED C=CCNC(=O)CN1C[C@H](C(=O)O)C2(CC(C(=O)OC)C2)C1 1331965612 IYQKZQVFQCUQJJ-LOIXOFCESA-N 310.350 -0.126 30 20 DBED CC(C)N1CC[C@H](NC(=O)C(=O)N2CCC[C@H](C#N)C2)C1=O 1334640161 JMDXLWKGTSAVRD-NEPJUHHUSA-N 306.366 -0.126 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N[C@@H](C)c1nnc2n1CCC2 1340334744 GDSTULOVWMMTBR-LBPRGKRZSA-N 313.361 -0.113 30 20 DBED C=C(C)COCCNC(=O)C(=O)N[C@@H]1CC(=O)N(C(C)C)C1 1341446044 RBKKZTCSBOTQTP-GFCCVEGCSA-N 311.382 -0.179 30 20 DBED C#CCCS(=O)(=O)N1CCN(C(=O)N2CCOCC2)CC1 1342884597 TVSZCWOFWHPMHT-UHFFFAOYSA-N 315.395 -0.591 30 20 DBED CCN1CCN(CC(=O)[C@H](C#N)c2nccn2CC)C(=O)C1=O 1344875131 KSCDUFGSIIHQRB-NSHDSACASA-N 317.349 -0.230 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2cc(N)ccn2)CC1 1346830216 BBGJNWGQLXPZFU-UHFFFAOYSA-N 301.350 -0.829 30 20 DBED CN(C)CCOCCNC(=O)C(=O)Nc1cccc(C#N)n1 1349138078 MDOJOHVKTXUCCA-UHFFFAOYSA-N 305.338 -0.414 30 20 DBED CN(C)[C@@H]1CCC[C@@H](NC(=O)Cn2cc(C#N)c(O)nc2=O)C1 1362337529 RMNRYQQEDBXAMA-VXGBXAGGSA-N 319.365 -0.190 30 20 DBED Cc1nnc(CNC(=O)CCn2cc(C#N)c(O)nc2=O)s1 1362339124 WGRMKZRIEBDHLM-UHFFFAOYSA-N 320.334 -0.313 30 20 DBED C[C@H]1[C@@H](C)N(C)CCN1C(=O)Cn1cc(C#N)c(O)nc1=O 1362574747 BVGJNPOKYGZKGB-ZJUUUORDSA-N 305.338 -0.628 30 20 DBED C[C@@H]1[C@H](C(=O)NCCn2cc(C#N)c(O)nc2=O)CCN1C 1363289330 XJHQLAXEHYWIND-MWLCHTKSSA-N 305.338 -0.723 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(O)(CN[C@H](C)C(=O)NC2CC2)CC1 1368678598 KMDKZHXDONFLPD-NWDGAFQWSA-N 322.409 -0.244 30 20 DBED CCN(CCNC(=O)CNC(=O)NC)C(=O)c1cc(C#N)c[nH]1 1373843878 BPXPRDWJGOUREG-UHFFFAOYSA-N 320.353 -0.606 30 20 DBED CC(=O)N[C@@H](C)C(=O)NC[C@@H](O)CNCc1ccccc1C#N 1379156864 AAJCAXNUTYQBNT-NHYWBVRUSA-N 318.377 -0.350 30 20 DBED CN(CCNC(=O)c1cc(C#N)c[nH]1)C(=O)[C@H]1CCC(=O)N1C 1386838276 ADPAWLDTJICDDM-GFCCVEGCSA-N 317.349 -0.305 30 20 DBED CN(CCNC(=O)[C@H]1CCC(=O)NC1)C(=O)c1cc(C#N)c[nH]1 1386985832 ZKTQBJYVFFHTEB-NSHDSACASA-N 317.349 -0.399 30 20 DBED C[C@H](CNC(=O)CCc1nc[nH]n1)NC(=O)c1cc(C#N)c[nH]1 1399930261 ZPPUSOHZBLOVFS-SECBINFHSA-N 315.337 -0.128 30 20 DBED CCN(CCC#N)C(=O)CN[C@@H](C)CNC(=O)c1cnnn1C 1402871168 OMQGMSHKQFOHFN-NSHDSACASA-N 321.385 -0.715 30 20 DBED C=C(Cl)CNC[C@H](O)CN(C)C(=O)c1c[nH]c(C(N)=O)c1 1411131501 WOXSPLCDDUYYTP-JTQLQIEISA-N 314.773 -0.111 30 20 DBED Cc1cc(C#N)cnc1C(=O)NC[C@]1(O)CCS(=O)(=O)C1 1412968881 KNYMXEMALTWZSE-CYBMUJFWSA-N 309.347 -0.459 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)[C@H](C)S(C)(=O)=O)CC1 1417198725 XSTCRLGXDGGKHI-IUCAKERBSA-N 301.368 -0.656 30 20 DBED CN(CCNC(=O)[C@@H]1CCC(=O)N1)c1ncc(C#N)cc1F 1418028250 QFZLKFHPLQASHM-NSHDSACASA-N 305.313 -0.077 30 20 DBED Cc1c(C(=O)N[C@H]2C[C@@H](CNC(=O)[C@H](C)C#N)C2)nnn1C 1429111232 KFKAWXZVBZSZRL-IEBDPFPHSA-N 304.354 -0.092 30 20 DBED COc1cc(C(=O)NCCn2cc(C#N)c(O)nc2=O)ccn1 1434205614 BQAXADFLJRDUKT-UHFFFAOYSA-N 315.289 -0.346 30 20 DBED CCN(CC)C(=O)CNCC1(O)CCN(C(=O)[C@H](C)C#N)CC1 1447596129 RFEAZDVEBLTUPQ-CYBMUJFWSA-N 324.425 -0.042 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@@H](C)CNC(=O)c1ccc(C(N)=O)cn1 1449986871 VGNYGHCMQFWQKW-UWVGGRQHSA-N 317.349 -0.083 30 20 DBED C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)[C@H]1CN(C)CCO1 1454582274 RQNOJJFZNIXOMV-GXFFZTMASA-N 319.365 -0.549 30 20 DBED CS[C@H](C)C(=O)NC[C@H](O)CNC(=O)c1ccc(C#N)[nH]1 1457909168 DUXLWZXLIQKAPE-SCZZXKLOSA-N 310.379 -0.155 30 20 DBED N#Cc1cc(CNC(=O)c2cnn(C[C@H](O)CO)c2)ccn1 1467725977 BJJQKWUXJYYCAF-ZDUSSCGKSA-N 301.306 -0.567 30 20 DBED C#Cc1ccc(C(=O)NCC[C@H](C)NCc2nnn(C)n2)nc1 1492113383 SNKVLFYOZOHSFU-NSHDSACASA-N 313.365 -0.115 30 20 DBED C[C@@H](C#N)C(=O)NC1(C)CCN(C(=O)CS(C)(=O)=O)CC1 1506342543 CCDDCIVIPUNBID-JTQLQIEISA-N 315.395 -0.312 30 20 DBED CCN(C(=O)[C@@H](C)C#N)[C@H](C)CNC(=O)Cn1ncn(C)c1=O 1512437817 WWXCFOMYURJVQO-WDEREUQCSA-N 322.369 -0.905 30 20 DBED CC[C@H](OC)C(=O)N1CCN(CCNC(=O)[C@@H](C)C#N)CC1 1524095355 VLXDJPOUGTYUQM-STQMWFEESA-N 310.398 -0.169 30 20 DBED C[C@@H](C#N)C(=O)NCC1CN(C(=O)CCN2CCOCC2)C1 1530880457 OCJDUDCDWYATAN-LBPRGKRZSA-N 308.382 -0.557 30 20 DBED N#Cc1nc(NC(=O)C2(O)CCSCC2)[nH]c1-c1nn[nH]n1 1570923233 VQPDZOMYMWKBPR-UHFFFAOYSA-N 320.338 -0.342 30 20 DBED N#Cc1ccc(N2CCN(C(=O)[C@@H]3C[C@H]3C(=O)O)CC2)nn1 1571074304 FXRHCNJNFREHLP-GHMZBOCLSA-N 301.306 -0.282 30 20 DBED C#C[C@H](NC(=O)N1C[C@H]2COC[C@@]2(C(=O)O)C1)[C@@H]1CCCO1 1588385726 HCCFHYNWTGQHTK-ASHKBJFXSA-N 308.334 -0.090 30 20 DBED C[C@](C#N)(CC(=O)O)C(=O)Nc1ccc(S(C)(=O)=O)nn1 1588541708 LBRWQYYWTPBQLS-LLVKDONJSA-N 312.307 -0.177 30 20 DBED C=C(CCC(=O)O)C(=O)N1CCC(NS(=O)(=O)NC)CC1 1588614686 ZNYAROVUDITHHB-UHFFFAOYSA-N 319.383 -0.548 30 20 DBED C=CCS(=O)(=O)CCNC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)O)O1 1588878907 NPPQOYDIIYUMRU-OPRDCNLKSA-N 305.352 -0.418 30 20 DBED CN(C(=O)c1ccc(C#N)[nH]1)C1CN(C(=O)[C@@H]2C[C@H]2C(=O)O)C1 1598083133 LJNAYZWDFRCMFL-GHMZBOCLSA-N 316.317 -0.110 30 20 DBED COCCn1cc(C(=O)N(CC#N)CCC(=O)O)ccc1=O 1599269955 MHIMETXVGWTDEX-UHFFFAOYSA-N 307.306 -0.065 30 20 DBED N#Cc1cccc(CNC(=O)CN2CCN(CC(=O)O)CC2)c1 1601123079 XAZQZTNCXKUGNC-UHFFFAOYSA-N 316.361 -0.123 30 20 DBED O=C(NC1(CCO)CN(C(=O)C#CC2CC2)C1)[C@H]1C[C@H]1C(=O)O 1601777294 HIRZHKNZWZLRMM-NWDGAFQWSA-N 320.345 -0.800 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)CN2CCC[C@H](C(=O)O)C2=O)C1 1608181426 JZSAVIWQWVPXCO-IINYFYTJSA-N 309.322 -0.813 30 20 DBED N#Cc1c[nH]c(C(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)c1 1647098323 DMPORHYYFGCUKG-JTQLQIEISA-N 324.362 -0.690 30 20 DBED C#CCCN[C@@H](C)CCNC(=O)Cn1ccc(=O)n(C)c1=O 1690844425 BSTRFAJIXCLYCQ-LBPRGKRZSA-N 306.366 -0.945 30 20 DBED C#CCNC(=O)CN[C@@H](C)CNC(=O)c1cnc2cccnn12 1752903889 UDYKHIGPQCOPFI-NSHDSACASA-N 314.349 -0.813 30 20 DBED C=CCNC(=O)CN[C@H](C)CNC(=O)[C@H]1CCc2c[nH]nc2C1 1752919864 MTZFMLZWTSJHOE-NEPJUHHUSA-N 319.409 -0.089 30 20 DBED C=CCCN(C)C[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 1753358747 AXKAGHZINBYBKY-GFCCVEGCSA-N 308.382 -0.105 30 20 DBED C=C[C@@](C)(O)CC(=O)N(C)[C@@H](C)CNCc1nc(=O)n(C)[nH]1 1753686831 XPVZVRTYCPZFQM-IINYFYTJSA-N 311.386 -0.628 30 20 DBED CN(C)S(=O)(=O)CC(=O)N1CC[C@@H]2[C@H](CCN2CC#N)C1 1753876321 UABFTIQEKNJUCL-VXGBXAGGSA-N 314.411 -0.676 30 20 DBED C[C@H](CNCC(=O)NCC#N)NC(=O)CCc1ccn(C)n1 1754227914 TVLCKBOREIPAIH-LLVKDONJSA-N 306.370 -0.913 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@H](C)NC(=O)c1cccnc1OC 1754281902 XGCFEQXKJGOWTB-RYUDHWBXSA-N 318.377 -0.064 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N1CC2(C[C@H](NC(C)=O)CO2)C1 1755057041 OHNISFGAWLGSOY-PWSUYJOCSA-N 324.381 -0.634 30 20 DBED C#CCNC(=O)[C@H](C)NCC1CC(NC(=O)c2cnnn2C)C1 1755209433 HRFIJDDYYOHXLJ-UNXYVOJBSA-N 318.381 -0.949 30 20 DBED CNC(=O)NC(=O)[C@@H](C)N(C)[C@H](C)CNC(=O)C#CC1CC1 1755299841 HJWACQNDUPUEGB-GHMZBOCLSA-N 308.382 -0.320 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@H](C)CNC(=O)Cc1n[nH]c(C)n1 1755299906 IPRGSMYFWYYFGC-MNOVXSKESA-N 320.397 -0.770 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@H]1C[C@H](NC(=O)CC2(O)CCC2)C1 1755471369 UYBWRLAOPPRLHK-MGPQQGTHSA-N 321.421 -0.086 30 20 DBED CN(C(=O)c1cc[nH]n1)[C@@H](CNCC(=O)NCC#N)C1CC1 1755557995 UJNYJQBQPPYWCX-LBPRGKRZSA-N 304.354 -0.510 30 20 DBED COCC#CCN[C@@H](CO)CNC(=O)Cc1ccc(C)nc1 1755647374 YWYUPLVVPAWUQV-OAHLLOKOSA-N 305.378 -0.351 30 20 DBED CN(CCOCCN[C@@H]1CCNC1=O)C(=O)C#CC(C)(C)C 1755872951 FOHPCYVELHBUBF-CYBMUJFWSA-N 309.410 -0.011 30 20 DBED CC(C)C#CC(=O)NC[C@@H](O)CN(C)C(=O)[C@@H]1[C@H]2COC[C@H]21 1756674694 QLZMMJMCMKYXJI-CXTNEJHOSA-N 308.378 -0.526 30 20 DBED CN(C[C@@H](O)CN(C)C(=O)CN1CCCC1)C(=O)C#CC1CC1 1756689554 ZJDYGBABDNQWCC-OAHLLOKOSA-N 321.421 -0.227 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(C(=O)C2(CF)CC2)C[C@@H]1O 1757174021 PSXZTYCWJBZFFU-UTUOFQBUSA-N 312.341 -0.538 30 20 DBED N#CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(=O)C3CC3)C[C@@H]21 1786361979 BFOHHNLJKAYMRU-AVGNSLFASA-N 319.361 -0.141 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)CC(C)=O 1800939252 PFIAVBLYCBANAY-DNVSUFBTSA-N 306.362 -0.176 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)[C@@H](C)NC=O)C2 1841610470 MHPPBCLVPMFTSL-OLZOCXBDSA-N 323.393 -0.085 30 20 DBED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)[C@H]1CCCCO1)C2 1846194524 MTFUQJAJRXIDSY-GFCCVEGCSA-N 320.345 -0.153 30 20 DBED COC(=O)CNC(=O)CNS(=O)(=O)c1cccc(C#N)c1 24477009 DVWKGEPMJFIANK-UHFFFAOYSA-N 311.319 -0.874 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N(CC)CC)c1=O 60892004 LDGRILWWXJAOIZ-UHFFFAOYSA-N 322.365 -0.588 30 20 DBED N#Cc1ccccc1/C=C/C(=O)N1CCN(S(N)(=O)=O)CC1 171365535 AIEAVUUWLPYKEC-AATRIKPKSA-N 320.374 -0.081 30 20 DBED C=CCN(CCNS(=O)(=O)c1cnn(C)c1)CCOC 189424054 JDWCXECGBMORSI-UHFFFAOYSA-N 302.400 -0.167 30 20 DBED Cc1nc2n(n1)C[C@@H](N/C(=N/C1CC1)NCC(=O)N(C)C)CC2 262244896 APYMEKGXEVTFRZ-LBPRGKRZSA-N 319.413 -0.313 30 20 DBED Cc1cc(C(=O)N[C@H](C)CC#N)nc2c1c(=O)n(C)c(=O)n2C 265657395 PZRANCRJRKLURB-SECBINFHSA-N 315.333 -0.027 30 20 DBED C=CCNC(=O)CNC(=O)N1CC[C@@H](S(=O)(=O)NCC)C1 271951237 DRHLKXBNZYLSTG-SNVBAGLBSA-N 318.399 -0.988 30 20 DBED C=CCNC(=O)CNC(=O)NCCN1CCN(C)C(C)(C)C1 282694495 LZYBIHXFDYYDAN-UHFFFAOYSA-N 311.430 -0.386 30 20 DBED CN(/C(N)=N/CCS(=O)(=O)NC[C@H]1CCCCO1)C1CC1 305836299 WYADTKWUILVTPC-GFCCVEGCSA-N 318.443 -0.116 30 20 DBED CCN1CCN(C/C(O)=N/[C@@H]2C(O)=NCC[C@@H]2C)C(=O)C1=O 328704639 KPSQJUAMGVJCQR-ONGXEEELSA-N 310.354 -0.002 30 20 DBED C[C@@H]1C(O)=NCCN1/C(O)=N/C[C@H]1CCN(S(C)(=O)=O)C1 328727527 GKTYQACCCJXRBY-NXEZZACHSA-N 318.399 -0.158 30 20 DBED CC(C)N1CC[C@H](N/C(O)=N/C[C@@H]2CN(C)CCN2C)C1=O 329694548 CRWVMMXDEWMAQO-OLZOCXBDSA-N 311.430 -0.255 30 20 DBED CC(C)[C@@](C)(C#N)NC(=O)CN1CCC[C@@]2(C1)NC(=O)NC2=O 331541625 FCCSRRGRWQALPJ-CABCVRRESA-N 321.381 -0.285 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N2CCC(CCCO)CC2)CCO1 336893860 LLDOHORRWCRQTG-CYBMUJFWSA-N 317.411 -0.060 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@H]1CCCN(C)C1=O 337072818 PRPGQRGCKXIWGE-NSHDSACASA-N 318.399 -0.696 30 20 DBED CCN(C)C(=O)[C@H](C)NS(=O)(=O)N(CCC#N)CCOC 337180517 MCGSASVQLWTHML-NSHDSACASA-N 320.415 -0.450 30 20 DBED C[C@@H](NC(=O)CCc1ccccc1)C(=O)NCC(=O)NCC#N 344188197 XNLZWLZAWWKIPD-GFCCVEGCSA-N 316.361 -0.120 30 20 DBED COC(=O)C[C@H]1COCCN1S(=O)(=O)N(C)C[C@@H](C)C#N 344957774 PMNVRQJAHCTWPY-QWRGUYRKSA-N 319.383 -0.413 30 20 DBED N#CCCCS(=O)(=O)NCCCN1CCC[C@H]1C(N)=O 348105397 SCJIBAPMBJCIJY-NSHDSACASA-N 302.400 -0.451 30 20 DBED CCOC(=O)C1(CNc2c(C#N)c(=O)n(C)c(=O)n2C)CC1 351584990 JSBWHBXTYCYJIZ-UHFFFAOYSA-N 306.322 -0.289 30 20 DBED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CC[C@@H](CO)C2)cc1 355251563 DQTWPUHJBGFKQX-GFCCVEGCSA-N 323.374 -0.323 30 20 DBED CC(C)n1cc(C#N)c(NC(=O)C(=O)N(C)CC[C@H](C)O)n1 359350822 OFQZICWUZXXTSG-JTQLQIEISA-N 307.354 0.503 30 20 DBED CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@H](O)[C@@H]1C(=O)OC 372556832 KUODZCLVWLPZSJ-MBNYWOFBSA-N 311.382 -0.007 30 20 DBED CCC(CC)(CNS(=O)(=O)N1CCO[C@H](C#N)C1)C(=O)O 424366873 JTWBMYYDVVLTRJ-SNVBAGLBSA-N 319.383 -0.064 30 20 DBED C#CCNC(=O)C1CCN(C(=O)N[C@H]2CC(=O)N(C)C2)CC1 491815804 LWNKGADRQRKFAV-LBPRGKRZSA-N 306.366 -0.612 30 20 DBED CC(=O)N1CCN(C(=O)CCNC(=O)NC[C@@H](C)C#N)CC1 542875131 LQAPXSYFIVCWEO-NSHDSACASA-N 309.370 -0.474 30 20 DBED C[C@@]1(C2CC2)NC(=O)N(CC(=O)N[C@]2(C#N)CCOC2)C1=O 547490145 FKYOFNVDQVINGL-KBPBESRZSA-N 306.322 -0.494 30 20 DBED CCC[C@H](O)[C@H](CO)NC(=O)C(=O)Nc1cccc(C#N)n1 563104750 WPAQAWAGTWAXBM-QWRGUYRKSA-N 306.322 -0.470 30 20 DBED COc1cncc(NC(=O)C(=O)N2CCC(CC#N)CC2)n1 570099085 NNDCAMQHINRTIE-UHFFFAOYSA-N 303.322 0.576 30 20 DBED C[C@H]1CN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CCN1 576704660 HIAXLOMCCOAZOK-NSHDSACASA-N 322.390 -0.343 30 20 DBED N#Cc1ccc(S(=O)(=O)N(CCO)CCOCCO)s1 582014649 ZPQPNURYVXVGQV-UHFFFAOYSA-N 320.392 -0.388 30 20 DBED C=C[C@@H](O)C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)OC(C)(C)C 597781024 SUCRAIIYDQJHHV-VHSXEESVSA-N 319.379 -0.499 30 20 DBED CN(CCOCCN)C(=O)C(=O)NCc1cccc(C#N)c1 599944623 UAJHJOCPXUMGIU-UHFFFAOYSA-N 304.350 -0.392 30 20 DBED N#Cc1ccc(OC[C@@H](O)CNCCN2CC[C@H](O)C2)cc1 600761483 QIGVQPSSANUNCD-GJZGRUSLSA-N 305.378 -0.046 30 20 DBED C[C@@H]1C[C@H](CN)CN1C(=O)C(=O)N1CCN(CCC#N)CC1 601580207 CDQCZHBJPAQVNK-CHWSQXEVSA-N 307.398 -0.760 30 20 DBED COCCN(CCC#N)C(=O)CN(C)[C@H]1CCS(=O)(=O)C1 610492201 XTCFLTNWICKRIH-LBPRGKRZSA-N 317.411 -0.506 30 20 DBED C#Cc1ccc(C(=O)N2CCNC(=O)[C@H]2CC(=O)OC)cn1 728862186 YVTOLBBFGPALMS-GFCCVEGCSA-N 301.302 -0.433 30 20 DBED CN1CC[C@H](NC(=O)NCCNc2ncccc2C#N)C1=O 738506289 WCKPEMBMXFOFBD-NSHDSACASA-N 302.338 -0.105 30 20 DBED C=CCN(CC=C)C(=O)COC(=O)CN1C(=O)CN(C)C1=O 749360707 CSQYOSUTGZTSSZ-UHFFFAOYSA-N 309.322 -0.376 30 20 DBED N#Cc1c(NCCN2C(=O)CCC2=O)cccc1S(N)(=O)=O 755003129 DZLGGWPFYDCLSG-UHFFFAOYSA-N 322.346 -0.233 30 20 DBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=S)NCC(N)=O 756806029 URARSZBAIYRYIH-VIFPVBQESA-N 319.394 -0.781 30 20 DBED C#C[C@@H](NS(=O)(=O)c1cc(C(N)=O)n(C)c1)[C@H]1CCCO1 773059140 VRWRDXKMLOGDFD-ZYHUDNBSSA-N 311.363 -0.417 30 20 DBED COC[C@@H](C#N)OC(=O)CNS(=O)(=O)c1cn(C)c(C)n1 785282233 AOCRRWXOZFYMCU-SECBINFHSA-N 316.339 -0.911 30 20 DBED C#CCCS(=O)(=O)Oc1cccc(C(=O)NCC(N)=O)c1 808293527 SZGWIBADXRGANJ-UHFFFAOYSA-N 310.331 -0.366 30 20 DBED C#CCCS(=O)(=O)N1CCC(O)(CN2CCOCC2)CC1 808305221 LCOGADIVNWIXMZ-UHFFFAOYSA-N 316.423 -0.501 30 20 DBED C#CC[C@H](CO)NC(=O)c1ccc(S(=O)(=O)N(C)C)nc1 820059377 CKPIYHDJBWIPNU-LLVKDONJSA-N 311.363 -0.554 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)Cc2cscn2)CC1 825968848 ZNYRCMJAAFPLJW-UHFFFAOYSA-N 306.391 -0.421 30 20 DBED CC(C)OC[C@@H](C(=O)O)N(C)S(=O)(=O)N(C)CCC#N 827021764 JGYCMCOVQMLRRO-JTQLQIEISA-N 307.372 -0.113 30 20 DBED N#CCN(CC(=O)O)C(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1 833066468 ZRZAYWLTSRXLDV-NSHDSACASA-N 324.318 -0.847 30 20 DBED C[C@@H](OC(=O)[C@H]1CCCS1(=O)=O)C(=O)N(C)CCC#N 848860371 IJTVBNKFWSGXTM-NXEZZACHSA-N 302.352 -0.133 30 20 DBED C/N=C(/NCCOC[C@H]1CCOC1)NCCN1CCOCC1 849006713 KFFGHCITKDVTRF-AWEZNQCLSA-N 314.430 -0.463 30 20 DBED C#CCNS(=O)(=O)N1CCN(CCCCC(=O)OC)CC1 859216050 WUTWBXJGLIKHED-UHFFFAOYSA-N 317.411 -0.585 30 20 DBED C=CCN1CC[C@H](N(C)CC(=O)N=[S@@](C)(=O)N(C)C)C1=O 878549163 BSGPDEAFYGKEAY-WIUDPPPLSA-N 316.427 -0.194 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N2C[C@H]3CC[C@H]2[C@@H](O)C3)CCO1 885816333 MOOMFKRMBXBWQE-USZNOCQGSA-N 301.368 -0.699 30 20 DBED C#CC1(O)CN(S(=O)(=O)c2cnc3c(c2)c(C)nn3C)C1 908232576 SVLIKGSQWZPDAO-UHFFFAOYSA-N 306.347 -0.355 30 20 DBED N#Cc1ccc(NCCNC(=O)Cn2cnc([N+](=O)[O-])n2)nc1 918561390 JAPTZXKDACPPBY-UHFFFAOYSA-N 316.281 -0.319 30 20 DBED O=C(NCC#CCO)NCc1cccnc1N1CCOCC1 923785559 HCIALNLSDYVOLU-UHFFFAOYSA-N 304.350 -0.287 30 20 DBED O=C(N[C@H]1CCN(C(=O)C#CC2CC2)C1)c1cncnc1O 938152628 FLDKMBLWMGUBRD-NSHDSACASA-N 300.318 -0.074 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@H](NC(=O)C[C@H]2CC(=O)NC2=O)C1 938254158 NNQCZCFZDAMTDT-QWRGUYRKSA-N 321.377 -0.032 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CCN(C(=O)[C@@H]3COCCO3)C2)c1 939929407 IKTSXABSIVMFOO-YPMHNXCESA-N 318.333 -0.368 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCN(C(=O)C(N)=O)CC1 941200720 ZIQVLKDRQPEWHI-RYUDHWBXSA-N 309.366 -0.486 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2ncn(C)n2)C1 942447207 DTDSIPBRGRDBNH-UTUOFQBUSA-N 319.365 -0.263 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)c2ccn(C)n2)C1 944600586 KSBNEBLRUZAHTD-QWRGUYRKSA-N 305.338 -0.463 30 20 DBED C[C@H]1CN(C(=O)CC(N)=O)CC[C@H]1NC(=O)c1cc(C#N)c[nH]1 945223608 DZIBOBZIBHCAFJ-GXSJLCMTSA-N 317.349 -0.271 30 20 DBED C=CCCn1cc(C(=O)N[C@@H]2CCN(CC(N)=O)[C@@H](C)C2)nn1 947795810 IDIHRZZGVODSJQ-NWDGAFQWSA-N 320.397 -0.078 30 20 DBED N#CCN1CCOC2(CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)C1 949362184 CGHWIKOOODSTOY-VXGBXAGGSA-N 308.338 -0.131 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H](NC(=O)C2CS(=O)(=O)C2)C1 951867935 NGMSXJMROHSSTG-KOLCDFICSA-N 313.379 -0.702 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H]1CN(C)Cc1nc(=O)n(C)[nH]1 960488331 ATZRXEHMRKQQBJ-WDEREUQCSA-N 306.370 -0.309 30 20 DBED Cc1nc(CC(=O)N2C[C@H]3CN(C(=O)[C@H](C)C#N)C[C@H]3C2)n[nH]1 961537126 COHGNNJYFCJFCY-JLLWLGSASA-N 316.365 -0.268 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CN(C(=O)c3cnn(C)n3)C[C@H]2C1 961924714 UFEVOTDDYIUJHE-MXWKQRLJSA-N 302.338 -0.495 30 20 DBED CC#CCN1C[C@H]2[C@H](NC(=O)[C@H]3COCCN3C(C)=O)[C@H]2C1 962620110 VOKJALQGVINEJN-BARDWOONSA-N 305.378 -0.697 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)CC(N)=O)CC1 965192752 AOEBURYORQRTPY-UPJWGTAASA-N 323.393 -0.050 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)Cc3cncn3C)C2)C1 972637525 CMENMFKASUBUSE-INIZCTEOSA-N 302.378 -0.101 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3CCC(=O)N3)C2)[nH]1 973952180 ZPWZEOQFYAGKFA-JFGNBEQYSA-N 315.333 -0.458 30 20 DBED C#CCN1C[C@@H]2C(CNC(=O)[C@@H]3CCc4nnn(C)c4C3)[C@H]2C1 978663314 YFJRZOSKSRCQSY-MRVWCRGKSA-N 313.405 -0.153 30 20 DBED N#Cc1ccc(C(=O)N2CCCN([C@@H]3CCNC3=O)CC2)[nH]1 980991301 JUBMHRZLSIXJLK-CYBMUJFWSA-N 301.350 -0.077 30 20 DBED N#CCN1CCCN(C(=O)[C@@H]2CCc3nnc(O)n3C2)CC1 981477552 ZHWYDPSUCMXPIN-LLVKDONJSA-N 304.354 -0.396 30 20 DBED C[C@@H]1[C@H](NCc2nnnn2C)CCN1C(=O)c1c[nH]c(C#N)c1 986179716 ZWXPQXOHOOGXPT-BXKDBHETSA-N 314.353 -0.197 30 20 DBED N#Cc1cc(C(=O)NC2CN(C(=O)C[C@@H]3CCC(=O)N3)C2)c[nH]1 990930438 GNJFTHVERMEGNL-JTQLQIEISA-N 315.333 -0.504 30 20 DBED C=C1CCC(C(=O)N2CC[C@H](NC(=O)C(N)=O)[C@@H](O)C2)CC1 991722132 ADXWQUZWKNMVOV-RYUDHWBXSA-N 309.366 -0.704 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CCN(C(=O)CC(N)=O)C[C@@H]2O)C1 991756422 YZAROJQLPBUMGM-MNOVXSKESA-N 309.366 -0.704 30 20 DBED CC1(C)CN(C(=O)[C@H]2CCc3nnnn3CC2)C[C@@H]1NCC#N 996335011 SSSABUAUWAIVIK-RYUDHWBXSA-N 317.397 -0.024 30 20 DBED C=CC(C)(C)C(=O)N1CC(CNC(=O)[C@H]2CN(C)C(=O)N2)C1 1003570859 RIXWJJVUZNWSOC-LLVKDONJSA-N 308.382 -0.203 30 20 DBED C[C@H](C#N)C(=O)N1CC(CNC(=O)c2cn(C)c(=O)cn2)C1 1003589602 JRYAOUPZZUUTRU-SECBINFHSA-N 303.322 -0.872 30 20 DBED N#CCN1CCC[C@@H]1C1CCN(C(=O)Cn2ncnn2)CC1 1004426597 CIHIEAVOBDGZHI-CYBMUJFWSA-N 303.370 -0.100 30 20 DBED C[C@@H]1CCN(C(=O)C#CC2CC2)C[C@H]1NC(=O)Cn1cnnn1 1004472093 GWOIQLHIBYMTKM-DGCLKSJQSA-N 316.365 -0.560 30 20 DBED C=CCN1CCC(N(C)C(=O)c2cn(C)c(=O)n(C)c2=O)CC1 1006087846 QRYYPKZJZUYMAZ-UHFFFAOYSA-N 320.393 -0.194 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CCCN([C@@H]3CCNC3=O)C2)c[nH]1 1007159354 YMTYLUODRNKFQB-DGCLKSJQSA-N 301.350 -0.031 30 20 DBED CC(=O)N1CC(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)CC2(C)C)C1 1008095582 NUXKHJXSTBKZOF-ZWNOBZJWSA-N 320.393 -0.022 30 20 DBED C#CCN1CC[C@H](NC(=O)c2c3n(c(=O)n2C)CCCC3)C1 1015712983 ITQULCHVRSQAHB-LBPRGKRZSA-N 302.378 -0.040 30 20 DBED N#CCN1CCC2(CC1)C[C@H]2NC(=O)CN1C(=O)CNC1=O 1016964921 NYFATSOPINIIDE-SNVBAGLBSA-N 305.338 -0.968 30 20 DBED C#CCCN1C[C@@H]2CC[C@H](C1)N2C(=O)CCn1ncn(C)c1=O 1017760468 FDJQHOAALQGBQW-OKILXGFUSA-N 317.393 -0.330 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](NCCN2C(=O)NC(C)(C)C2=O)C1 1018619391 WLTXTGZVZVNFGE-QWRGUYRKSA-N 321.381 -0.333 30 20 DBED C#CCN[C@@H]1CC[C@@H]2CN(C(=O)CN3CCC(=O)NC3=O)C[C@@H]21 1026398799 NUJOBWBDHFSNRS-FRRDWIJNSA-N 318.377 -0.612 30 20 DBED C#CCCN1CCC[C@@H]1CNC(=O)c1nccnc1C(N)=O 1028305736 XANUWCXUEPQTHI-LLVKDONJSA-N 301.350 -0.207 30 20 DBED C#CCN1CC[C@@H](CNC(=O)C2CC3(C2)CS(=O)(=O)C3)C1 1028628249 QLEIAWZGVIWQLZ-LBPRGKRZSA-N 310.419 -0.118 30 20 DBED C=CCN1CCCC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 1034218640 GTFXOCREWTWERX-LLVKDONJSA-N 306.370 -0.466 30 20 DBED C=CCCN1CCO[C@H](CNC(=O)[C@H]2CCS(=O)(=O)C2)C1 1035438772 MJYXOOFCCUFARG-QWHCGFSZSA-N 316.423 -0.186 30 20 DBED C#CCN1CCO[C@H](CNC(=O)c2cc3n(n2)CCCO3)C1 1035443213 YEROUWVFPNRWRD-GFCCVEGCSA-N 304.350 -0.271 30 20 DBED CC#CCN1CCO[C@H](CNC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 1035515437 GKVWWPZAJNJLQJ-HZSPNIEDSA-N 307.394 -0.449 30 20 DBED C#CCCN1CCO[C@@H](CNC(=O)c2cnn(CCOC)c2)C1 1035597219 WBPNJZSRPHOQDM-HNNXBMFYSA-N 320.393 -0.017 30 20 DBED C[C@H](C#N)C(=O)N1CCC2(CC1)CN(Cc1nnnn1C)C2 1035672842 JSEVWWWUGSNHMH-LLVKDONJSA-N 303.370 -0.206 30 20 DBED CC#CCN1CC[C@H]1CNC(=O)[C@H]1CC(=O)N(CCOC)C1 1038317024 GTQDDMSRVPZGLG-KBPBESRZSA-N 307.394 -0.305 30 20 DBED C=CCCn1cc(C(=O)NC[C@H]2CCN2[C@H](C)C(N)=O)nn1 1038791359 XUUKCGLSAPDOCA-GHMZBOCLSA-N 306.370 -0.468 30 20 DBED Cn1cnn(CC(=O)N2CC[C@@]3(CCCN(CC#N)C3)C2)c1=O 1040271968 WAFUNZNFYWUNSU-OAHLLOKOSA-N 318.381 -0.580 30 20 DBED N#Cc1cncc(N2C[C@@H]3CCN(C(=O)Cn4nccn4)[C@@H]3C2)n1 1040730326 BCWQIZWAXVXEFF-WCQYABFASA-N 324.348 -0.323 30 20 DBED C=CCCCC(=O)NC[C@@]1(O)CCN(C(=O)[C@H]2CCNC2=O)C1 1040730622 ZRQCCBAOUKLYES-LRDDRELGSA-N 323.393 -0.442 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)Cc3cnoc3)C2)nn1 1041295119 ZFJFMBDTTKMOOC-VXGBXAGGSA-N 314.305 -0.755 30 20 DBED CC1(C)C[C@H]1C(=O)N1CC(O)(CNC(=O)CSCC#N)C1 1041569643 ZKLRCBXEYAOCID-JTQLQIEISA-N 311.407 -0.021 30 20 DBED CCO[C@H](CC)C(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1041823700 OHADUPREUXAHMI-CYBMUJFWSA-N 308.378 -0.096 30 20 DBED C#CCN1CC[C@@H]2CCN(C(=O)CN3C(=O)CN(C)C3=O)C[C@@H]21 1042345237 KFCLMGCMQWMWES-OLZOCXBDSA-N 318.377 -0.564 30 20 DBED C#CCCCCC(=O)NCC1(O)CN(C(=O)c2cnn(C)c2)C1 1042658489 JHRDEYXVTIKHJE-UHFFFAOYSA-N 318.377 -0.083 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)c2nn(C)cc2C)C1 1042802128 DPCBJNUEMIKGMQ-UHFFFAOYSA-N 318.377 -0.165 30 20 DBED N#Cc1ccc(C(=O)N2CC(O)(CNC(=O)c3ncc[nH]3)C2)[nH]1 1042931530 REWHSFZYOSEXHO-UHFFFAOYSA-N 314.305 -0.774 30 20 DBED Cc1cn(C)nc1C(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1042982398 JJGICNKUVDSTFQ-UHFFFAOYSA-N 316.361 -0.555 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)C2(CC)CC2)C1 1043042926 YXGJGFHUGAAPHR-LBPRGKRZSA-N 308.378 -0.096 30 20 DBED C=C(C)CCC(=O)N1CC(O)(CNC(=O)[C@H]2CCCNC2=O)C1 1043471729 LCQRYXPZZGGWPU-LBPRGKRZSA-N 323.393 -0.442 30 20 DBED C=CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)Cc2ccc[nH]2)C1 1043576375 PLKCDXRTGHGVTR-GFCCVEGCSA-N 321.377 -0.162 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)c3ccns3)C2)nn1 1044230681 VBGYGMGLSBURCJ-ZJUUUORDSA-N 316.346 -0.216 30 20 DBED C#CCN1CC[C@@](C)(NC(=O)c2coc(S(N)(=O)=O)c2)C1 1046426925 RHAWAKPLUZBGBK-CYBMUJFWSA-N 311.363 -0.246 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2cn(CCOC)nn2)C1 1047379287 ZXMILRANQLINTA-KBPBESRZSA-N 321.381 -0.935 30 20 DBED Cc1ccnc2nc(C(=O)N(C)[C@H]3CN(CC#N)C[C@@H]3O)nn12 1047618709 KSQSNVWUGPFPHS-QWRGUYRKSA-N 315.337 -0.927 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CC(=O)N(C)C)C1 1048868932 BBYPFQNFYCNWHD-STQMWFEESA-N 323.393 -0.846 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cc2cnoc2)C1 1049275500 LJQMNXFHOTVVLT-STQMWFEESA-N 323.349 -0.550 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)CCc2cnc[nH]2)C[C@@H]1O 1049408562 SYMFGKUFEJBJCO-DRZSPHRISA-N 319.365 -0.468 30 20 DBED C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC(=O)NC(=O)N1 1049756031 SKYQZNRPLIBZTE-SDDRHHMPSA-N 306.366 -0.164 30 20 DBED N#CCN1CCC2(CC1)CN(C(=O)[C@@H]1CCS(=O)(=O)C1)C2 1050585001 BJWATUXVAADKBK-GFCCVEGCSA-N 311.407 -0.131 30 20 DBED Cn1ncc2c1C[C@@H](C(=O)NC[C@H]1COCCN1CC#N)CC2 1051085381 DZSVUWXBDLYACF-JSGCOSHPSA-N 317.393 -0.134 30 20 DBED C=CCOCCCC(=O)N[C@@H](C)[C@H]1CCN(C(=O)C(N)=O)C1 1051468850 ISXXVTUFVLKIAE-RYUDHWBXSA-N 311.382 -0.192 30 20 DBED C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1CNC(=O)CC(N)=O 1052385339 SJYKPKQWHPUPGF-NXEZZACHSA-N 317.349 -0.414 30 20 DBED C=CCN1CC2(C1)CN(C(=O)Cn1nc(C)ccc1=O)CCO2 1053513947 HYFISULNHMJCSK-UHFFFAOYSA-N 318.377 -0.349 30 20 DBED Cn1cc(C(=O)NC[C@H]2CCC3(CN(CC#N)C3)O2)ccc1=O 1053622095 NMRIBWYHXLQBHL-CYBMUJFWSA-N 316.361 -0.128 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)[C@@H]3CCc4nc[nH]c4C3)CO2)C1 1053976245 CZBJQKIRFBAXPZ-VXGBXAGGSA-N 315.377 -0.002 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)[C@H](C)N3CCOCC3)CO2)C1 1054026292 UYVNCJZIRHTJMJ-UONOGXRCSA-N 307.394 -0.700 30 20 DBED COC(=O)[C@H]1C[C@@H]1C(=O)N1CCN(c2cncc(C#N)n2)CC1 1055734883 FTAKCVBNYQZVBI-RYUDHWBXSA-N 315.333 -0.194 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@](CO)(NC(=O)c2ncccn2)C1 1056074909 PLZCWABAZMCIMS-IAQYHMDHSA-N 317.349 -0.280 30 20 DBED CCN(C)CCC(=O)N[C@@]1(CO)CCCN(C(=O)[C@H](C)C#N)C1 1056124361 VYLUMTNHORZCGT-CJNGLKHVSA-N 324.425 -0.042 30 20 DBED C[C@]1(C(=O)N2CC[C@@H](N=c3cc[nH]c(C#N)n3)C2)CCNC1=O 1056777256 PJWHUOKKAJSLQG-BMIGLBTASA-N 314.349 -0.691 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)Cc1nnc(C)o1 1057170808 CALHJDKBTBFMEN-UHFFFAOYSA-N 310.354 -0.176 30 20 DBED C#CCNC(=O)CC(=O)N(CCO)CCNC(=O)C[C@@H]1C[C@@H]1C 1057394848 BHVDUNSQAVVWBH-STQMWFEESA-N 323.393 -0.891 30 20 DBED C=C[C@](C)(O)CC(=O)N(CCO)CCNC(=O)CCCOC 1057449881 IUKIEOBXKFCYGT-HNNXBMFYSA-N 316.398 -0.323 30 20 DBED Cn1nncc1C(=O)NC1CCN(c2ccnc(C#N)n2)CC1 1057864778 IKSUNAZANWVGDP-UHFFFAOYSA-N 312.337 -0.124 30 20 DBED C=CCn1cccc1C(=O)N(CCO)CCNC(=O)COC 1057902283 FSPNOSZDYKPXRI-UHFFFAOYSA-N 309.366 -0.129 30 20 DBED C[C@H](C(=O)N[C@H]1CCN(c2nccnc2C#N)C1)n1cncn1 1058324279 DIUBVCSXNGLAHI-MNOVXSKESA-N 312.337 -0.104 30 20 DBED C[C@@]1(C(=O)N[C@H]2CCN(c3ccnc(C#N)n3)C2)CCNC1=O 1058541626 PIHMREUEJIHIBJ-ZUZCIYMTSA-N 314.349 -0.431 30 20 DBED COc1ncccc1C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N 1058705287 VMRLFUWOKWNLHR-NSHDSACASA-N 320.349 -0.199 30 20 DBED N#Cc1ccc(N[C@H]2C[C@@H](NC(=O)[C@H]3COCCO3)C2)nn1 1059563516 CFPAPUFPXXRUQR-GRYCIOLGSA-N 303.322 -0.177 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1C[C@@H](NC(=O)[C@@H]2COCCO2)C1 1059563649 INMXCLDSVNUVSJ-SCRDCRAPSA-N 302.334 -0.150 30 20 DBED Cn1ncc(C(=O)NC[C@@H]2CCCN2c2nccnc2C#N)n1 1061375238 CNHOGAZCTHTNEY-JTQLQIEISA-N 312.337 -0.124 30 20 DBED C=C(C)C(C)(C)C(=O)NC[C@H]1COCCN1C(=O)CC(N)=O 1061750542 YJYSGGCHCZCCLE-NSHDSACASA-N 311.382 -0.192 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)Cc1cnc[nH]1 1061853687 UNMGTVZLCIAXPX-CMPLNLGQSA-N 305.338 -0.545 30 20 DBED C=CCOCC(=O)NCC1(NC(=O)[C@H]2C[C@H]2C(N)=O)CCC1 1062703568 HIVLBEMSGADXBQ-MNOVXSKESA-N 309.366 -0.535 30 20 DBED C=CCOCC(=O)NCC1(NC(=O)[C@H]2CNC(=O)N2)CCC1 1062703595 IKYVTAIKGJUAJH-SNVBAGLBSA-N 310.354 -0.975 30 20 DBED N#Cc1nc(=NC[C@H]2CCCN2C(=O)Cc2nc[nH]n2)cc[nH]1 1063513412 LUVAVZOXDUKLJG-SNVBAGLBSA-N 312.337 -0.466 30 20 DBED Cn1cc(C(=O)N2CCO[C@@H](CNC(=O)C#CC3CC3)C2)cn1 1064843104 NNSSFQNMKWPJIP-AWEZNQCLSA-N 316.361 -0.209 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)CCn2cnnn2)CCO1 1065519600 NVTQLTCVPPROLG-GFCCVEGCSA-N 322.369 -0.627 30 20 DBED CN(C(=O)c1cn[nH]c1)[C@H]1CN(c2ccncc2C#N)C[C@@H]1O 1065567398 WNYBXTAOOPUVQD-KBPBESRZSA-N 312.333 -0.002 30 20 DBED C=CCOCC(=O)N(C)CCCN(C)C(=O)c1cnn(C)n1 1066998863 GQXFCZIBCBRSNZ-UHFFFAOYSA-N 309.370 -0.062 30 20 DBED Cc1cc(C#N)nc(N(C)C[C@H]2CCCN2C(=O)CC(N)=O)n1 1067743905 NFLAQFWXOVGBJY-GFCCVEGCSA-N 316.365 -0.041 30 20 DBED C=CC(C)(C)C(=O)N1CCOC2(CN(C(=O)CNC(C)=O)C2)C1 1068423447 OIHVNPXICLXVSK-UHFFFAOYSA-N 323.393 -0.226 30 20 DBED C=C[C@H](CC)CC(=O)N1CCOC2(C1)CN(C(=O)C(N)=O)C2 1068437820 GRUJUILUYPHXDH-LLVKDONJSA-N 309.366 -0.486 30 20 DBED CN(C(=O)c1nnn(C)n1)C1CC(Nc2cnc(C#N)cn2)C1 1069790150 SAYSOQUULJAWDO-UHFFFAOYSA-N 313.325 -0.413 30 20 DBED N#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H]2CCCCO2)C1 1069910634 DIZCUYYNPZQCCT-FRRDWIJNSA-N 304.354 -0.288 30 20 DBED C=C(C)CN1C[C@H](n2ccnn2)[C@H](NC(=O)c2cn(C)nn2)C1 1069918405 OXGRYCIGZOPDEG-YPMHNXCESA-N 316.369 -0.362 30 20 DBED C=C(C)CN[C@@H]1CN(C(=O)Cn2cncn2)C[C@@H]1n1ccnn1 1070323297 POSBVITXXYVXMX-OLZOCXBDSA-N 316.369 -0.513 30 20 DBED N#CCN1CCOC[C@@H]1c1n[nH]c(CNC(=O)c2cc[nH]c2)n1 1070585095 QHKTXXZYQKWVQI-LLVKDONJSA-N 315.337 -0.040 30 20 DBED C=CCCN1C[C@H]2C[C@@H]3CN(C(=O)Cn4ncnn4)C[C@@]3(C1)O2 1070799953 OTNRHVZBEUBDFL-UMVBOHGHSA-N 318.381 -0.449 30 20 DBED N#CCN1CCNC(=O)CCN(C(=O)c2csc(O)n2)CC1 1070986846 GIJXACCVUWGVCK-UHFFFAOYSA-N 323.378 -0.364 30 20 DBED C=CCN1CC[C@@]2(C1)CN(C(=O)Cn1cnnn1)C[C@H](C)O2 1071134287 PMTWCKJJMRFXCG-GXTWGEPZSA-N 306.370 -0.449 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H](NC(=O)C(=O)NCC2CC2)C1 1071229285 MDLONPGIUKHPQN-CMPLNLGQSA-N 306.366 -0.221 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1C 1071556740 LTOPGBIDYNMAAE-NWDGAFQWSA-N 304.354 -0.704 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)c2nnn(C)c2C)C[C@H]1C 1071854250 XODSYCDDPNTMTL-ZYHUDNBSSA-N 321.381 -0.097 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C 1071874331 IPOHYHXYCYIWMS-BXKDBHETSA-N 317.349 -0.401 30 20 DBED C#CCOCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)c2cnn[nH]2)C1 1072094241 QTZQPFKSKFZKFR-PWSUYJOCSA-N 305.338 -0.579 30 20 DBED C[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@H]1NC(=O)C#CC1CC1 1072165484 OPQNBZFNLKQPSK-ZWNOBZJWSA-N 324.402 -0.593 30 20 DBED COCC(=O)N1CCN(C2CN(C(=O)C#CC(C)C)C2)CC1 1073525515 VPPLIOBRRBXRIW-UHFFFAOYSA-N 307.394 -0.353 30 20 DBED CC#CCN1CCCO[C@@H](CNC(=O)[C@@H]2CCC(=O)NC2)C1 1073671761 DPRCIXCTQVZLFR-KGLIPLIRSA-N 307.394 -0.257 30 20 DBED CC(C)C#CC(=O)N1CC[C@@H](NC(=O)Cn2ncnn2)[C@H](C)C1 1073976958 IPFCJZCEFJTNHD-CHWSQXEVSA-N 318.381 -0.314 30 20 DBED CCCCN1CCOC[C@@H]1C(=O)N[C@@H]1CN(CC#N)C[C@H]1O 1077444363 VKESRFVNFXCYFL-MGPQQGTHSA-N 310.398 -0.828 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2cc3c(nc2O)CCOC3)C1 1077981142 AMUPNHJBDBUGOU-ZIAGYGMSSA-N 317.345 -0.732 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)Cc2c(C)nc(C)nc2O)C1 1078168980 WLDAHVHXAUFCGN-CHWSQXEVSA-N 304.350 -0.864 30 20 DBED C[C@H](C#N)C(=O)N1CCCO[C@@H](CNCc2nncn2C)C1 1078359713 CHNGGYHKZIHORZ-NEPJUHHUSA-N 306.370 -0.318 30 20 DBED CN1CC(=O)N(CC(=O)N[C@H]2C[C@H](NCC#N)C23CCC3)C1=O 1078802615 GDLSLHBBXZBUKJ-QWRGUYRKSA-N 319.365 -0.579 30 20 DBED C#CCNC(=O)CC(=O)N1CC(N(CC)C(=O)[C@@H]2C[C@H]2C)C1 1079243460 BRVHUJOMNVNTCE-DGCLKSJQSA-N 305.378 -0.159 30 20 DBED C=CCCC(=O)N(CC)C1CN(C(=O)Cn2c(O)nnc2O)C1 1079470767 AYYZVWAFJWTCMK-UHFFFAOYSA-N 323.353 -0.285 30 20 DBED C=CCn1cc(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)CC)C2)nn1 1081143430 AJYZEJYTSKBGOS-CMPLNLGQSA-N 307.354 -0.577 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2ccnnc2)C[C@H]1O 1081347064 QGNZTEDSBQRMSZ-QWHCGFSZSA-N 320.349 -0.772 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H]1CN(C(=O)CCCC)C[C@@H]1O 1081416128 BMRXOSZUZQRTOG-OLZOCXBDSA-N 323.393 -0.748 30 20 DBED CC(C)C#CC(=O)N1C[C@H](CNC(=O)CC2(O)CCC2)[C@@H](O)C1 1081465679 KKUMMNXGSSPLJY-KBPBESRZSA-N 322.405 -0.114 30 20 DBED C=C(C)CCC(=O)N1C[C@H](O)[C@H](CNC(=O)Cn2nccn2)C1 1081519824 LHQZJTSBXSCYDC-OLZOCXBDSA-N 321.381 -0.430 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1081672066 SXSGUIBKHONBGC-RLPMIEJPSA-N 324.377 -0.983 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@H]1CN2CC3CC2(CO1)C3 1081959545 MMSZZABCAJDQCU-NTTUHNMPSA-N 320.393 -0.811 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2n[nH]c3c2CCCCC3)C1 1084060331 SIMCQBLRQBRYEX-OLZOCXBDSA-N 303.366 -0.023 30 20 DBED CC(=O)NCc1cccc(C(=O)N[C@@H]2CN(CC#N)C[C@@H]2O)c1 1084073376 RXBARJWRJYEZAJ-CABCVRRESA-N 316.361 -0.379 30 20 DBED CC#CCN1CC[C@@H]2CN(C(=O)CN3CCCNC3=O)[C@@H]2C1 1084483431 CQRQDOLJEPNMPC-ZIAGYGMSSA-N 304.394 -0.042 30 20 DBED C#CCN1C[C@H]2CC[C@H]1[C@H]1CN(C(=O)c3nnn(C)n3)C[C@H]21 1087380404 UGRIUVOEBSTJJW-NDBYEHHHSA-N 300.366 -0.374 30 20 DBED C#CCN[C@@H]1CCCCCN(C(=O)Cn2nc(C)n(C)c2=O)C1 1088420136 IZDSULCUPORCGX-CQSZACIVSA-N 319.409 -0.116 30 20 DBED CC#CCN1CC[C@@H](NC(=O)Cc2cnn(C)c2C)[C@H](O)C1 1090315325 IFLOWPPMIXFUPG-HUUCEWRRSA-N 304.394 -0.154 30 20 DBED N#CCN1CC[C@@H](NC(=O)Cn2cc(C3CC3)nn2)[C@H](O)C1 1090317936 DVIGBCSKTLOSSZ-DGCLKSJQSA-N 304.354 -0.770 30 20 DBED CO[C@H](C)C(=O)N[C@@H]1CN(c2ncc(C#N)cc2F)C[C@H]1O 1090377849 NPYHWHKWEMLYRP-GGZOMVNGSA-N 308.313 -0.207 30 20 DBED CS[C@H](C)C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1O 1090385450 FLOSKQUIHRVCPX-FBIMIBRVSA-N 307.379 -0.235 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2cn3cccnc3n2)[C@@H](O)C1 1090394927 YTLBWOUYZAYWDO-OCCSQVGLSA-N 313.361 -0.082 30 20 DBED CC(=O)N(C)CC(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1O 1090395083 XBLUOUWYFFOILZ-CHWSQXEVSA-N 317.349 -0.903 30 20 DBED C=CCN1CC[C@@H](NC(=O)c2ccnc3c2nnn3C)[C@@H](O)C1 1090522166 HIILDXMIDKPOHG-NEPJUHHUSA-N 316.365 -0.286 30 20 DBED N#Cc1cc(CN2CC[C@@H](NC(=O)C(N)=O)[C@H](O)C2)ccc1F 1090530883 FZCNAUNCTRWLCK-CHWSQXEVSA-N 320.324 -0.766 30 20 DBED C#Cc1cncc(C(=O)N[C@H]2CCN(CCCO)C[C@@H]2O)c1 1090565238 XSEAYECIJLQHBU-GJZGRUSLSA-N 303.362 -0.390 30 20 DBED C[C@H](NC(N)=O)C(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1C 1090699867 PKKGXBSLMOYGOS-WCABBAIRSA-N 317.353 -0.654 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(c2cc(C)ncn2)C[C@H]1C 1090702408 ABSVHPAHCMCLLJ-DGCLKSJQSA-N 315.377 -0.135 30 20 DBED Cc1ccn2ncc(C(=O)N[C@@H]3CCN(CC#N)C[C@H]3O)c2n1 1090734830 QWOLDNIRDGNDMJ-CHWSQXEVSA-N 314.349 -0.274 30 20 DBED C#CCO[C@H](C)C(=O)NC1[C@@H]2CN(c3ccnc(C#N)n3)C[C@@H]12 1093310651 KBLPEYNWGYILAF-IJLUTSLNSA-N 311.345 -0.063 30 20 DBED COc1c[nH]c(C(=O)NCCN=c2cc[nH]cc2C#N)cc1=O 1093993807 QIFMNIPTTCSLGV-UHFFFAOYSA-N 313.317 -0.086 30 20 DBED N#Cc1cccnc1NCCCNC(=O)[C@H]1CCS(=O)(=O)N1 1094437035 GFRONEGBASFVJK-LLVKDONJSA-N 323.378 -0.437 30 20 DBED C=C(C)CN1CC(N2C[C@@H](NC(=O)[C@H]3COCCO3)CC2=O)C1 1094709553 LLMGRKVBOARPLQ-GXTWGEPZSA-N 323.393 -0.621 30 20 DBED C=CCCN1CC(N2C[C@@H](NC(=O)[C@H]3COC(=O)N3)CC2=O)C1 1094730119 SHKMPVWCDHWRID-CMPLNLGQSA-N 322.365 -0.928 30 20 DBED N#Cc1nc(=NCCCCCCNC(=O)CNC(N)=O)cc[nH]1 1094916835 CPQMPAFQXDIXRS-UHFFFAOYSA-N 319.369 -0.473 30 20 DBED CNC(=O)NCC(=O)N1CC[C@H](N(C)c2cncc(C#N)n2)C1 1095156288 KNMIPGHMWFCDHQ-NSHDSACASA-N 317.353 -0.686 30 20 DBED N#Cc1nccnc1N[C@H]1C[C@@H](NC(=O)C2(C(N)=O)CC2)C1 1097248290 FJRGEMBQJXUQRW-DTORHVGOSA-N 300.322 -0.327 30 20 DBED C[C@H](CNC(=O)CN1CCCC1=O)Nc1ccc(C#N)nn1 1097695207 AEDFHCKMYICCAM-SNVBAGLBSA-N 302.338 -0.113 30 20 DBED C[C@@H](CNC(=O)C[C@@H](C)NC(N)=O)N=c1cc[nH]cc1C#N 1098076725 XBCSRXIVCVTLIV-ZJUUUORDSA-N 304.354 -0.261 30 20 DBED C#CCOCCC(=O)N1CCC(N(CCO)CCCO)CC1 1098364393 SGHVCWWIYKKGSH-UHFFFAOYSA-N 312.410 -0.306 30 20 DBED CNC(=O)CC(=O)N1CCC[C@@H](N(C)c2cnc(C#N)cn2)C1 1098683707 HVHGJFBXLUGTLJ-GFCCVEGCSA-N 316.365 -0.088 30 20 DBED C#CCNCc1cn([C@@H]2CCN(C(=O)[C@@H]3CCN(C)C3)C2)nn1 1098780748 ZARHNEPWZDEMKE-UKRRQHHQSA-N 316.409 -0.274 30 20 DBED C[C@@H](CCNC(=O)[C@H]1C[C@H]1C(N)=O)Nc1ccc(C#N)nn1 1099692103 UKVVUKFOQBQDDV-GDPRMGEGSA-N 302.338 -0.224 30 20 DBED C=C(Cl)CN1CC[C@@H](NC(=O)CNC(=O)OC)[C@@H](O)C1 1099696484 ZANUMJOQPUOZTF-ZJUUUORDSA-N 305.762 -0.354 30 20 DBED C[C@@H](CCNC(=O)CC(=O)N(C)C)N=c1cc[nH]c(C#N)n1 1099722419 OFIBQRUQSRIFHI-JTQLQIEISA-N 304.354 -0.445 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2ccns2)[C@@H](O)C1 1099853704 UYLKHBPRDGABGJ-RYUDHWBXSA-N 309.391 -0.042 30 20 DBED C=CCOCC(=O)NCCN(C)c1cncc(C(=O)N(C)C)n1 1099959686 YMTBKMBAGGXILO-UHFFFAOYSA-N 321.381 -0.067 30 20 DBED CS(=O)(=O)C1(C(=O)N[C@@H]2CCN(CC#N)C[C@H]2O)CCC1 1100057032 BZLNSNLVEJYPLV-GHMZBOCLSA-N 315.395 -0.971 30 20 DBED C#CCN1CC[C@H](NC(=O)CCCC(=O)NC(C)C)[C@H](O)C1 1100079378 YPBONRJRWSIFMA-UONOGXRCSA-N 309.410 -0.134 30 20 DBED C#CCCN1CC[C@H](NC(=O)CCc2cn(C)nn2)[C@@H](O)C1 1100147663 TVRKGMXISXPVBK-KBPBESRZSA-N 305.382 -0.678 30 20 DBED C=CCNC(=O)CNC1CC(CNC(=O)c2cncn2C)C1 1100481857 RTKZFJKOLUZBAG-UHFFFAOYSA-N 305.382 -0.180 30 20 DBED C#CCCNC1CC(CNC(=O)c2nccnc2C(N)=O)C1 1100956035 LPDGKRDTDTVXHR-UHFFFAOYSA-N 301.350 -0.303 30 20 DBED C#CCOCCC(=O)N1C[C@H]2CN(C[C@H](O)COC)C[C@@]2(C)C1 1101235481 XOSVRPOPYLJNEW-VYDXJSESSA-N 324.421 -0.186 30 20 DBED CN(CCNc1ccc(C#N)cn1)C(=O)Cn1cnnc1O 1101553379 RNZLYMUIFQXTQJ-UHFFFAOYSA-N 301.310 -0.179 30 20 DBED CN(CCNc1cncc(C#N)n1)C(=O)CCN1CCOCC1 1101684898 IIVSNRZRUWDCBK-UHFFFAOYSA-N 318.381 -0.059 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(C)CCNc1nccn2nnnc12 1101961585 XZPKJKVIRJEPEP-MNOVXSKESA-N 317.353 -0.019 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)CCN(C)CC)C1 1102496186 IJDUBJJTCWOXGO-HUUCEWRRSA-N 322.453 -0.238 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(C#N)cn1 1102547891 TZSZEMUNJXDWHS-STQMWFEESA-N 324.344 -0.723 30 20 DBED CN(C(=O)CS(C)(=O)=O)[C@H]1CCN(c2ccc(C#N)nn2)C1 1102683906 MYGBRXITHKDQHN-NSHDSACASA-N 323.378 -0.570 30 20 DBED CN(C(=O)C#CC1CC1)[C@@H]1CCN(c2ccc3nnnn3n2)C1 1102700242 MWUQVWYTWPTJBG-GFCCVEGCSA-N 311.349 -0.030 30 20 DBED CC[C@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)N=c1cc[nH]cc1C#N 1103261587 QBQNBRLTMALMMY-YPMHNXCESA-N 316.365 -0.295 30 20 DBED Cc1cc(C#N)nc(NC[C@H](C)CNC(=O)[C@H]2CCNC2=O)n1 1104157432 MWBFVKZIPHSLRG-SKDRFNHKSA-N 316.365 -0.043 30 20 DBED C[C@@H](CNc1ccc(C#N)nn1)N(C)C(=O)C1(C(N)=O)CC1 1104792622 CTVPTLWFFZYKNH-VIFPVBQESA-N 302.338 -0.127 30 20 DBED COC(=O)[C@H]1C[C@H]1C(=O)N1CC(n2cc(CNCC#N)nn2)C1 1105187626 BGUCQRTYCPSCSL-NEPJUHHUSA-N 318.337 -0.916 30 20 DBED CN(CCN(C)c1cnc(C#N)cn1)C(=O)Cn1cnnc1O 1105388149 ZVMSJWHYYMAJBQ-UHFFFAOYSA-N 316.325 -0.760 30 20 DBED CN1C[C@@H](C(=O)N(C)CCN(C)c2cncc(C#N)n2)CC1=O 1105583721 NAGKFRWDRIQBJE-NSHDSACASA-N 316.365 -0.279 30 20 DBED Cc1ocnc1C(=O)NC[C@@H](O)CNc1cnc(C#N)cn1 1105730308 YDOMZSKFLMYJOF-JTQLQIEISA-N 302.294 -0.153 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)Cc2cc[nH]n2)nn1 1105762827 VZHVVJMVJMIXDL-NSHDSACASA-N 301.310 -0.797 30 20 DBED C[C@@](O)(CC(=O)NC[C@H](O)CNc1ccc(C#N)nn1)C1CC1 1105826879 LYEMROIROQOLTL-IUODEOHRSA-N 319.365 -0.212 30 20 DBED CC(=O)NC(C)(C)C(=O)NC[C@H](O)CNc1ccc(C#N)nn1 1105899212 ZTZITAPOAZYYHG-LLVKDONJSA-N 320.353 -0.848 30 20 DBED C[C@@H](CCNc1cnc(C#N)cn1)NC(=O)[C@H]1CN(C)CCO1 1106293484 HVVZAIGZHRQECO-WCQYABFASA-N 318.381 -0.014 30 20 DBED COCCS(=O)(=O)CC(=O)N1C[C@@H](C)[C@H](CNCC#N)C1 1106330143 SCBIDSCNGLAYMJ-VXGBXAGGSA-N 317.411 -0.745 30 20 DBED CCS(=O)(=O)CC(=O)N[C@@H](C)CNc1cncc(C#N)n1 1108410289 DPSLMBDZUQZXBK-VIFPVBQESA-N 311.367 -0.300 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)[C@@H](CC)OCC)CC2=O)C1 1108513463 KRFMWLAABTXPIN-GXTWGEPZSA-N 307.394 -0.164 30 20 DBED C#CCOCCC(=O)N[C@@H]1CC(=O)N(C2CN(CC3CC3)C2)C1 1108545744 DYPHRHYOGZRUBC-CQSZACIVSA-N 319.405 -0.162 30 20 DBED C[C@H](CN(C)c1ccc(C#N)nn1)NC(=O)[C@H]1CCC(=O)N1 1108863085 APVLHVGQKHLLHE-MWLCHTKSSA-N 302.338 -0.432 30 20 DBED C[C@@]1(NC(=O)CS(C)(=O)=O)CCN(c2nccnc2C#N)C1 1110718131 AIPJJPFMEAGIOF-CYBMUJFWSA-N 323.378 -0.522 30 20 DBED C[C@]1(NC(=O)Cc2nc[nH]n2)CCN(c2nccnc2C#N)C1 1110792660 XUVCXAUTFOBUBX-AWEZNQCLSA-N 312.337 -0.206 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H]1CCN(C)C1=O 1110921286 MEWVFPRDDJCFAC-TUVASFSCSA-N 319.405 -0.164 30 20 DBED CC[C@H](C(=O)N(CCO)CCNc1cncc(C#N)n1)N(C)C 1111492829 RWZKPWXWYJFUDU-CYBMUJFWSA-N 320.397 -0.079 30 20 DBED COC[C@H](C)CC(=O)N(CCO)CCN=c1cc[nH]c(C#N)n1 1111503451 KTEBRLFSEOCVRR-GFCCVEGCSA-N 321.381 -0.324 30 20 DBED CC(=O)NCC(=O)N1C[C@H](C)[C@H](N=c2cc[nH]cc2C#N)C1 1112295546 MNXHDQWYNMALOY-IINYFYTJSA-N 301.350 -0.230 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CCN(c2cnc(C#N)cn2)C[C@@H]1C 1112400596 ORDXEELFSNUWST-CMPLNLGQSA-N 316.365 -0.185 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(c2nccnc2F)C[C@@H]1O 1112719955 FXECJSDAZIBMCE-RYUDHWBXSA-N 304.325 -0.058 30 20 DBED COC[C@H](C)OC[C@@H](O)CN1CCN(C(=O)C#CC2CC2)CC1 1112824935 LVWWQCUJWDTEMT-HOCLYGCPSA-N 324.421 -0.044 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)[C@@]23COC[C@@H]2C3)CC1 1112867390 OKJFAYBUEFJTNE-WWGRRREGSA-N 305.378 -0.695 30 20 DBED C[C@H](NC(=O)Cn1cnnn1)[C@@H](C)Nc1ncccc1C#N 1112905762 QYZFVFFMDCBKSV-VHSXEESVSA-N 300.326 -0.055 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)CCc2nccn2C)CC1 1113136133 WOEXEDOUPCASBL-UHFFFAOYSA-N 317.393 -0.754 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1[C@@H]2CN(CC(=O)Nc3cnccn3)C[C@@H]21 1114067843 XOVCCGKRGWEPGE-PUHVVEEASA-N 314.349 -0.379 30 20 DBED N#Cc1cc(C(=O)NC2[C@@H]3CN(CCOCCO)C[C@@H]23)c[nH]1 1114148343 FCNVRTLFJPYCNA-CHWSQXEVSA-N 304.350 -0.445 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)Cc3cnoc3)[C@@H]2C1 1114727887 ZNUGBUMWXWPVGR-CYZMBNFOSA-N 318.377 -0.046 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)c3ccc(=O)n(C)n3)[C@H]2C1 1115207622 VKQGIUXWLLNGKO-JYAVWHMHSA-N 316.361 -0.910 30 20 DBED N#Cc1cccnc1NCCCOCCNC(=O)CC(N)=O 1115395270 BOAWKEOFNRXLCB-UHFFFAOYSA-N 305.338 -0.237 30 20 DBED C[C@H](CN(C)C(=O)Cn1cnnn1)Nc1cncc(C#N)n1 1115606014 SRTSORGQFAGVMZ-SECBINFHSA-N 301.314 -0.706 30 20 DBED C[C@@H](CN(C)C(=O)[C@H]1CN(C)CCO1)N=c1cc[nH]c(C#N)n1 1115664221 LLOJAAYNXOXFJY-NWDGAFQWSA-N 318.381 -0.640 30 20 DBED CC[C@@H](C(=O)NCCN/C(O)=C1\N=CC=CC1=O)C(=O)OC 1116762054 ZEDWSTCFYZCIHF-QYARFRDLSA-N 309.322 -0.172 30 20 DBED CCN(CC)C[C@H](C)NC(=O)C(=O)N1CC[C@](O)(CC#N)C1 1118210834 NENDPRHXOFBNTM-SWLSCSKDSA-N 310.398 -0.290 30 20 DBED C#CC1(O)CN(C(=O)Nc2ccc(S(=O)(=O)NC)cc2)C1 1119744117 SUBWWJVISGNNNO-UHFFFAOYSA-N 309.347 -0.194 30 20 DBED Cc1ncc(C(=O)NC[C@H](CO)N=c2cc[nH]c(C#N)n2)[nH]1 1121234487 CGFFDZSMFXWEKZ-SECBINFHSA-N 301.310 -0.996 30 20 DBED N#Cc1nc(=N[C@H](CO)CNC(=O)Cc2ccoc2)cc[nH]1 1121340097 QTROEQAWSMSQCB-NSHDSACASA-N 301.306 -0.505 30 20 DBED N#Cc1cncc(N[C@H](CO)CNC(=O)C[C@@H]2CCOC2)n1 1121398216 GIKYPJDXPSZCGZ-JQWIXIFHSA-N 305.338 -0.336 30 20 DBED C=CCn1c(C[C@@H](C)O)nnc1N(C)CCS(C)(=O)=O 1121527174 NJIREPRRQSXJDO-SNVBAGLBSA-N 302.400 -0.132 30 20 DBED C#Cc1ccc(C(=O)NC[C@H](CO)N=c2cc[nH]c(C#N)n2)cc1 1122384664 DYAVNDLQJIZCKO-CQSZACIVSA-N 321.340 -0.046 30 20 DBED N#Cc1c(F)cccc1N[C@@H](CO)CNC(=O)C1(C(N)=O)CC1 1122451017 DBQKYQCNFGLTRP-SECBINFHSA-N 320.324 -0.148 30 20 DBED Cc1nc(C)c(C(=O)NC[C@H](CO)Nc2cnc(C#N)cn2)[nH]1 1122592534 DDXRMDXYQSPQOZ-LLVKDONJSA-N 315.337 -0.109 30 20 DBED C[C@H]1C[C@@H](Nc2ccc(C#N)nn2)CN1C(=O)CNC(N)=O 1123146181 IYIVDPPADOFNLH-WCBMZHEXSA-N 303.326 -0.582 30 20 DBED CN(C[C@@H](O)CNc1ccc(C#N)cn1)C(=O)[C@@H]1COC(=O)N1 1124270696 BGBXOJNJXZEDLR-QWRGUYRKSA-N 319.321 -0.707 30 20 DBED COC[C@@H](OC)C(=O)N(C)C[C@H](O)CN=c1cc[nH]cc1C#N 1124720793 DAEIBKGFIVMJHR-TZMCWYRMSA-N 322.365 -0.732 30 20 DBED CN(C[C@@H](O)CNc1cncc(C#N)n1)C(=O)[C@@]12COC[C@@H]1C2 1124820922 DCIUQOWWXFCIGF-WBIUFABUSA-N 317.349 -0.384 30 20 DBED CC(C)[C@@H](O)C(=O)N(C)CCOCCN=c1cc[nH]c(C#N)n1 1127283061 TZJLEIPTRPZEPO-CQSZACIVSA-N 321.381 -0.326 30 20 DBED N#Cc1ccc(N2CC=C(CNC(=O)CNC(N)=O)CC2)nn1 1127546816 LNBBJCVOYLKWHL-UHFFFAOYSA-N 315.337 -0.731 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)CCC(=O)NCC)C1 1128816553 KNNZGAAPNPELJA-OLZOCXBDSA-N 318.381 -0.831 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)C2(COC)CC2)C1 1129106738 PASHJSOCURNARL-OLZOCXBDSA-N 303.366 -0.321 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1c(C2CC2)cnn1C 1129191202 GCPCDDCRUDNQEF-NSHDSACASA-N 317.393 -0.245 30 20 DBED C=CCCN[C@@H]1CN(C(=O)CC(=O)NC)C[C@@H]1n1ccnn1 1129770178 CJFZUVWMYSQIBU-NEPJUHHUSA-N 306.370 -0.668 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCNC(=O)CCN(C(C)=O)CC1 1131321426 RZXNBMSPRICQMD-GFCCVEGCSA-N 310.398 -0.653 30 20 DBED COCC#CCN1CCNC(=O)CCN(C(=O)[C@@H](C)C#N)CC1 1131339414 BWBJCHGCALWYLQ-AWEZNQCLSA-N 320.393 -0.554 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)[C@@H](C)CC(N)=O)CC1 1131371912 ROXJHGKRRUNRTL-LBPRGKRZSA-N 310.398 -0.666 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)[C@H](C)OCC=C)CC1 1131399418 RBAPBQFBZIWNMO-AWEZNQCLSA-N 307.394 -0.139 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@H](C1CC1)N1CCCC1 1131790757 VEERNVICCDIPIB-HNNXBMFYSA-N 306.410 -0.684 30 20 DBED C#Cc1ccc(C(=O)NCCN[C@H](C)C(=O)NC(=O)NC)cc1 1132226778 OCBBTGBPZBNJDA-LLVKDONJSA-N 316.361 -0.169 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)C[C@H]1CCC(=O)N1C 1132261805 RWUXTAHHFQDTQQ-NWDGAFQWSA-N 310.398 -0.606 30 20 DBED Cc1ccn([C@H](C)CC(=O)NCCNCC(=O)NCC#N)n1 1132320451 FBAYGPUNAQXQME-GFCCVEGCSA-N 306.370 -0.512 30 20 DBED C[C@H]1CCN(C(=O)c2cnn[nH]2)C[C@H]1CNCC(=O)NCC#N 1132944881 AVWBYTJXSQQURU-WDEREUQCSA-N 319.369 -0.868 30 20 DBED C#Cc1cncc(C(=O)NCCNCCN2CCNC2=O)c1 1133593147 QGBAXUKJECYRLZ-UHFFFAOYSA-N 301.350 -0.593 30 20 DBED C[C@H](C[C@@H](C)NC(=O)CNC(=O)C1CC1)NCC(=O)NCC#N 1133774742 QZIINTRORKMZAX-GHMZBOCLSA-N 323.397 -0.975 30 20 DBED C#CCN[C@@H](C)C[C@@H](C)NC(=O)CN(C)S(=O)(=O)N(C)C 1134353524 ZNPLPISPQNYONH-NWDGAFQWSA-N 318.443 -0.769 30 20 DBED C#CCN[C@@H](C)C[C@H](C)NC(=O)Cn1nc2n(c1=O)CCCC2 1135879167 DYEWIYZDRDDIEX-STQMWFEESA-N 319.409 -0.113 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)c1nonc1C 1146746670 SOKQORRVSWWSLL-ZJUUUORDSA-N 307.354 -0.386 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC2(CN(C(=O)c3cnco3)C2)C1 1148005586 WXWVZFHUCMJHSM-LBPRGKRZSA-N 316.361 -0.040 30 20 DBED C#CCNC(=O)[C@H](C)N1CCCO[C@@H](CNC(=O)C(C)C)C1 1149193974 DKRSLKGVHSALTL-KBPBESRZSA-N 309.410 -0.013 30 20 DBED N#CCNC(=O)CN1CCCO[C@@H](CNC(=O)C2CC=CC2)C1 1149431093 HSSRMAADTDDMNA-AWEZNQCLSA-N 320.393 -0.201 30 20 DBED C#CCN1CCC(CCOC)(NC(=O)Cn2cnnc2O)CC1 1151080493 PZOLPMWQWZEKAN-UHFFFAOYSA-N 321.381 -0.396 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)c1cnnc(O)c1 1160503923 AWKPNLDMULBATB-SNVBAGLBSA-N 305.338 -0.970 30 20 DBED C[C@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)[C@H]1CCCOC1 1178302057 FRPHWJOHMBBGAO-AVGNSLFASA-N 308.382 -0.368 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](NCCCN2C(=O)CNC2=O)[C@@H]1C 1178351511 PEJRIAIYZAYJRV-SRVKXCTJSA-N 321.381 -0.333 30 20 DBED CC(C)NC(=O)CN(C)CC(=O)N1CC[C@H](NCC#N)[C@@H]1C 1179056428 VPYUAEPTESDRGN-STQMWFEESA-N 309.414 -0.455 30 20 DBED N#CCNC(=O)CNCCCCCCNC(=O)c1nc[nH]n1 1179850330 BHVYHQOPCOZOBR-UHFFFAOYSA-N 307.358 -0.676 30 20 DBED C#CCNCCCCCCNC(=O)CN1CC(=O)N(C)C1=O 1180051483 CDKSJHWXHNWYHN-UHFFFAOYSA-N 308.382 -0.220 30 20 DBED C[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@@]1(C)CNCc1nnnn1C 1180912953 CZRZHKGDVFJLMV-JTNHKYCSSA-N 305.386 -0.056 30 20 DBED N#CCNC(=O)CN[C@@H]1CCN(C(=O)c2ocnc2C2CC2)C1 1185643514 WUHQPOMNMGQNDE-LLVKDONJSA-N 317.349 -0.004 30 20 DBED C#CCN[C@@H]1CCN(C(=O)CNS(=O)(=O)CCCC)C1 1187450174 KCFKXAZPUACYCQ-GFCCVEGCSA-N 301.412 -0.470 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3cncnc3)[C@@H]2C1 1187605371 HCSCLTDNHIWAEN-GXTWGEPZSA-N 313.361 -0.628 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3ccnnc3)[C@@H]2C1 1189217840 HMOWYGRQSCDYDK-UONOGXRCSA-N 313.361 -0.628 30 20 DBED COCC#CCN(C)[C@H]1CCN(C(=O)[C@H]2CN(C)CCO2)C1 1189516624 JNJXXUSVWSKHSG-LSDHHAIUSA-N 309.410 -0.501 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)c2cc(C)on2)C1 1190861055 UFDBQMZLGHDIAO-RAIGVLPGSA-N 322.365 -0.551 30 20 DBED COCC#CCN(C)[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)NC2)C1 1191092335 WCTYYLUASNVPGE-ZIAGYGMSSA-N 307.394 -0.305 30 20 DBED N#CCSCC(=O)N[C@@H]1CN(Cc2ccccn2)C[C@H]1O 1191161478 CYTRICAMALUKBG-CHWSQXEVSA-N 306.391 0.000 30 20 DBED Cc1nnc(CN2C[C@@H](O)[C@H](NC(=O)[C@H](C)C#N)C2)n1C1CC1 1191855006 UJZIFSJHDXTBEQ-OASPWFOLSA-N 318.381 -0.258 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CN(CC(=O)NC2CCCC2)C[C@H]1O 1191863400 DUTSFHQMGZBEOV-CYZMBNFOSA-N 308.382 -0.634 30 20 DBED CCn1ncnc1CN1C[C@@H](O)[C@H](NC(=O)C#CC(C)C)C1 1192751570 BANHVCAZRBHWIO-CHWSQXEVSA-N 305.382 -0.381 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)CCc2ccncc2)C1 1194358402 BGSXBUNIJGSBHR-HZPDHXFCSA-N 317.389 -0.175 30 20 DBED Cc1cncn1CC(=O)N1CCCN(CC(=O)NCC#N)CC1 1196507404 OPMHFQITIYIKOH-UHFFFAOYSA-N 318.381 -0.634 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)Cc2cnoc2)CC1 1196895520 LMVLWXIEABWHAY-UHFFFAOYSA-N 304.350 -0.499 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2nncn2C)C[C@H]1O 1199315578 ZVTAFGCVUNESAH-IJLUTSLNSA-N 309.370 -0.933 30 20 DBED C[C@@H](C#N)C(=O)N1CCCO[C@H](CNCC(=O)N2CCC2)C1 1200114594 GAQMLSGQBWNYKU-QWHCGFSZSA-N 308.382 -0.415 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)c2nnn(C)c2C)CCCO1 1200172845 IGPOPFIFCOQYBB-CYBMUJFWSA-N 305.382 -0.032 30 20 DBED C=CCNC(=O)[C@@H](C)NC1CCN(C(=O)[C@H](C)CC(N)=O)CC1 1201957635 AJXMIWOBKCRSLD-VXGBXAGGSA-N 324.425 -0.231 30 20 DBED C#CCCNCC1CCN(C(=O)c2nnc(O)nc2O)CC1 1205625006 NFKXHVTXIBIDSC-UHFFFAOYSA-N 305.338 -0.252 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)CN(C)C(C)=O)[C@H](C)C1 1206116376 WVIHUTNQGQTGCC-MBNYWOFBSA-N 322.409 -0.961 30 20 DBED COCC#CCN[C@@H]1CCCN(C(=O)CNC(=O)C2CC2)C1 1207514504 DVFVIJQKAIEZEQ-CQSZACIVSA-N 307.394 -0.257 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@@H](Cn2cccn2)N(C)C)[C@H](C)C1 1207546909 FFXPMNZBLBFJIH-RBSFLKMASA-N 303.410 -0.117 30 20 DBED C=CCOCC(=O)N1CCC[C@@H](NCCN2C(=O)CNC2=O)C1 1207679497 AICPSMLEMNXHQC-GFCCVEGCSA-N 324.381 -0.679 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)CCn2ccnc2)[C@H](C)C1 1208252263 HPMQCVGMQWTMFV-ZIAGYGMSSA-N 317.393 -0.541 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCCN(C(=O)c2cnn[nH]2)C1 1208486235 GTSLZLOELVIVHT-WDEREUQCSA-N 304.354 -0.863 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)C[C@@H](C)COC)C1 1210417385 PYKVNOYBHKKXDW-KGLIPLIRSA-N 309.410 -0.011 30 20 DBED COCC#CCN1C[C@@H](NC(=O)c2ccnnc2)[C@H](OC)C1 1213480950 QLSAQNZNLXFOSI-ZIAGYGMSSA-N 304.350 -0.445 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)C[C@@H]2CCOC2)C[C@H]1C 1214375591 RJLVQBQBCHXPQH-HZSPNIEDSA-N 307.394 -0.401 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)C2CCC(O)CC2)C[C@H]1C 1214531148 QJDBLRQECVSNPC-XSCHDIRWSA-N 321.421 -0.277 30 20 DBED C[C@@H]1CN(C(=O)C(C)(C)NS(C)(=O)=O)C[C@H]1NCC#N 1215833179 YIIYCAAOQQVZSA-NXEZZACHSA-N 302.400 -0.726 30 20 DBED C=CCOCC(=O)N1CCO[C@@H]2CN(CCn3cncn3)C[C@@H]21 1217538290 QWOGVZVIFLSDIS-UONOGXRCSA-N 321.381 -0.608 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CS(=O)(=O)C(C)C 1219039722 YTRHPIKRYYLNQG-QWHCGFSZSA-N 314.407 -0.646 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)c2ccn(C)c2)C1 1219459003 NLUWSTLMRCASBG-BNOWGMLFSA-N 320.393 -0.509 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)CCCC(=O)NC)C1 1219502964 WKOVCNYOGROXMM-OLZOCXBDSA-N 313.398 -0.733 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)Cc2ccccc2)C1 1219883718 WIJYNWXKUNAQQM-CABCVRRESA-N 315.373 -0.860 30 20 DBED C=C[C@H](CC)CC(=O)N[C@@H]1CN(Cc2nnn(C)n2)C[C@@H]1O 1220203855 RYQAPEYIKODTAT-UTUOFQBUSA-N 308.386 -0.526 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)[C@H](CC(C)C)OC)C1 1220308279 ACPDHERMWYWZOX-ILXRZTDVSA-N 312.410 -0.141 30 20 DBED C[C@H](NS(C)(=O)=O)C(=O)N1CC[C@H]2CCN(CC#N)[C@H]2C1 1223572518 KGFCLZLIQRVCON-TUAOUCFPSA-N 314.411 -0.630 30 20 DBED CC#CCN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC(=O)NC(=O)N1 1228819716 DRHOBEVSRVLKJK-UTUOFQBUSA-N 306.366 -0.375 30 20 DBED C=C(C)CN(CC)C(=O)[C@H](C)N1CCC(NC(=O)C(N)=O)CC1 1228912420 NYYMLJUDYDTQFB-LBPRGKRZSA-N 324.425 -0.135 30 20 DBED C=C[C@H](COC)NC(=O)c1cc(N2CCNC(=O)C2)ccn1 1255580633 JRHLTAFIMSPTFH-LLVKDONJSA-N 304.350 -0.051 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)NC[C@@]1(C)CCC(=O)N1 1261717894 UMDZBBZDYMOXDI-OAHLLOKOSA-N 309.366 -0.730 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC[C@H](NCCN2C(=O)CCC2=O)C1 1266521997 BKGFOIKRFCUWCO-LRDDRELGSA-N 323.393 -0.347 30 20 DBED N#CCCn1ccc(NC(=O)C(=O)NCCN2CCCC2)n1 1319037652 LIXRQBNQIVSOLG-UHFFFAOYSA-N 304.354 -0.053 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)CC(=O)N3)CCO1 1322847296 STHZJQNSPGWUCZ-NSHDSACASA-N 314.301 -0.129 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@H]1CC(=O)N(C(C)C)C1)[C@H]1CCCO1 1323783545 ZUZHQNTZKVYNBT-RWMBFGLXSA-N 321.377 -0.591 30 20 DBED C=CCCOCCNC(=O)C(=O)N1CCC[C@H](OCCO)C1 1324105962 YIJAUESEWGUCFL-ZDUSSCGKSA-N 314.382 -0.305 30 20 DBED C[C@H](O)CN(C(=O)C(=O)N1CCC[C@](C)(C#N)C1)[C@H](C)CO 1325083706 MKYFKRGOSDKICA-TYNCELHUSA-N 311.382 -0.271 30 20 DBED Cc1nc(CCNC(=O)C(=O)N2CCO[C@@H](C#N)C2)cs1 1325465324 NBPAPFGDLMBXJD-NSHDSACASA-N 308.363 -0.139 30 20 DBED CC#CCN(C)C(=O)C(=O)N1CCN(C(C)(C)C(=O)OC)CC1 1325851639 WYOJJMNZGOEOQS-UHFFFAOYSA-N 323.393 -0.436 30 20 DBED C#CCOCCNC(=O)C(=O)N[C@H]1CCOC2(CCOCC2)C1 1328063956 JWSPBHSWMHJBNJ-ZDUSSCGKSA-N 324.377 -0.403 30 20 DBED C#CCN1CCC[C@H](NC(=O)C(=O)Nc2nc(C)n(C)n2)C1 1334178924 HBKMZRPHCJBSPY-NSHDSACASA-N 304.354 -0.724 30 20 DBED COCCCN(CC(=O)NCC#N)[C@@H]1CCS(=O)(=O)C1 1335030626 HCAJOMNIRBGPID-LLVKDONJSA-N 303.384 -0.848 30 20 DBED C=CCN(C)C(=O)C(=O)Nc1cccc(C(=O)NCC(N)=O)c1 1338624122 UYQORUKSFSSPSA-UHFFFAOYSA-N 318.333 -0.515 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H](CC)N(C)C)C1 1341548101 UJCFJGKLGGHESL-JHJVBQTASA-N 313.398 -0.783 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)NC[C@@H]1CCCN(C(C)=O)C1 1342069249 HBBVFEGDKSAELW-QWHCGFSZSA-N 311.382 -0.322 30 20 DBED C#CCN1CCN(c2nnc(Cc3nc[nH]n3)n2CC)CC1 1342909476 RDAQZKIBPHKQFO-UHFFFAOYSA-N 300.370 -0.238 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N1CCC[C@@H](CNC(C)=O)C1 1343079208 GULRTOLGGUEGGD-STQMWFEESA-N 311.382 -0.322 30 20 DBED C=CCn1cc(C(=O)NCc2cnc(COC)nc2N)nn1 1349799221 ZXIAAFTYCKDPNV-UHFFFAOYSA-N 303.326 -0.087 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[C@H](C2)N3)CCN1C1CC1 1351982382 CRBIHIXPFSPEED-MBNYWOFBSA-N 317.393 -0.852 30 20 DBED C#CCSCC(=O)N1CCC(n2cc(C(N)=O)nn2)CC1 1353864350 BGHAOWXAFDRCRT-UHFFFAOYSA-N 307.379 -0.093 30 20 DBED CN(C)CC1(NC(=O)CCn2cc(C#N)c(O)nc2=O)CCC1 1362451773 NTHXTNPVHDVRCH-UHFFFAOYSA-N 319.365 -0.189 30 20 DBED C[C@@H]1CN(c2[nH]c(=O)n(C)c(=O)c2C#N)C[C@@]2(CCCOC2)O1 1363731691 MEWDXEMYGIVFII-MEBBXXQBSA-N 320.349 -0.280 30 20 DBED CS(=O)(=O)CCCS(=O)(=O)NCc1ccnc(C#N)c1 1364986228 AYHHVNALCWWMCE-UHFFFAOYSA-N 317.392 -0.193 30 20 DBED N#Cc1cc(C(=O)N[C@H](CNC(=O)c2cnn[nH]2)C2CC2)c[nH]1 1372401242 WIBDUCCHYISXCR-LLVKDONJSA-N 313.321 -0.057 30 20 DBED CCN(CCC#N)C(=O)CNC[C@@H](C)NC(=O)c1ccncn1 1374828493 SLDOWMDMXOGKLK-GFCCVEGCSA-N 318.381 -0.053 30 20 DBED COc1ncnc(OC)c1C(=O)NC[C@@H](C)NC(=O)[C@H](C)C#N 1377274739 JIOXEKVZUMCASA-RKDXNWHRSA-N 321.337 -0.112 30 20 DBED C[C@@H](CNC(=O)c1ncn(C)n1)N(C)C(=O)c1c[nH]c(C#N)c1 1380714083 NIKQOTQKKQMWBT-VIFPVBQESA-N 315.337 -0.095 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@@](O)(CNC(=O)C3CC3)C2)[nH]1 1390400818 NNVUXQIYEHCSPS-OAHLLOKOSA-N 302.334 -0.010 30 20 DBED C[C@H](NC(=O)CNC(=O)C1CC1)C1CN(C(=O)[C@H](C)C#N)C1 1404638831 IVSKQLUKCIPYCB-ZJUUUORDSA-N 306.366 -0.365 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CN(C)C(=O)Cc1cnn(C)c1 1405590187 NXJNNSIRXURTNR-CMPLNLGQSA-N 307.354 -0.942 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC(NC(=O)CO[C@@H]3CCOC3)C2)c1 1409051758 LLWYWHVWLUBOKV-GFCCVEGCSA-N 318.333 -0.368 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)Cc2cc[nH]n2)C1 1417435092 RHJFZLNODYOLRG-QMTHXVAHSA-N 305.338 -0.809 30 20 DBED C=C(Cl)CN1CC[C@@H]1CNC(=O)CCNS(C)(=O)=O 1420853147 YMSXPDLHWLAXQD-SNVBAGLBSA-N 309.819 -0.131 30 20 DBED C=C(Cl)CN1CC[C@](O)(CNC(=O)CNC(=O)C2CC2)C1 1421339942 QFCVSLQDZUCSPH-AWEZNQCLSA-N 315.801 -0.182 30 20 DBED C[C@@H]1CO[C@@H](CO)CN1Cc1cc(O)n2ncc(C#N)c2n1 1421590594 NKORNDMFXXDANC-BXKDBHETSA-N 303.322 -0.112 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](NC(=O)COCc2ccnn2C)C1 1428153688 RFAWTJPXNVCKJK-NEPJUHHUSA-N 319.365 -0.187 30 20 DBED C=C(Cl)CNC[C@H](O)CNC(=O)[C@H]1CC(=O)N(CC)C1 1445206863 QQCIDDVCFQCHQK-QWRGUYRKSA-N 303.790 -0.326 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(=O)n(C)n2)C1 1448351727 KODVNWLDADQIRF-QWRGUYRKSA-N 317.349 -0.482 30 20 DBED N#C[C@H]1CN(C(=O)c2ccnc3c(C(N)=O)cnn23)CCO1 1464845626 UYFZVPRKBHADQC-QMMMGPOBSA-N 300.278 -0.807 30 20 DBED C#CCNCCNC(=O)[C@@H]1CCCN(C(=O)C[C@H]2CCOC2)C1 1480607505 HQXHCBXEUXCGNC-HUUCEWRRSA-N 321.421 -0.009 30 20 DBED C[C@H](CN(C)C(=O)c1cccn2nnnc12)NC(=O)[C@H](C)C#N 1487789510 MGFRDNDADRQMND-NXEZZACHSA-N 315.337 -0.139 30 20 DBED C=CCOCC(=O)N1CC[C@H](NC(=O)CNC(=O)NC)[C@H]1C 1511147034 CUQSVINXWWSQGD-MNOVXSKESA-N 312.370 -0.776 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H]1CNC(=O)CCN1CCOCC1 1529350881 QMALGZHQWTUZEK-KBPBESRZSA-N 322.409 -0.024 30 20 DBED Cc1nccn1CCCC(=O)NC[C@@H](O)CNC(=O)[C@@H](C)C#N 1533298008 RRHNQHYAPUYFNX-WCQYABFASA-N 321.381 -0.275 30 20 DBED N#CCSCC(=O)NC[C@H]1[C@@H]2CN(Cc3cnn[nH]3)C[C@H]12 1577710195 RQQBHBMUZOQFQG-CNDDSTCGSA-N 306.395 -0.145 30 20 DBED CN1CCN(C)[C@H](CNc2cnc(-c3nn[nH]n3)c(C#N)n2)C1 1579375027 PAMZOWWEUWOFLW-SECBINFHSA-N 314.357 -0.814 30 20 DBED Cn1nnc2c1CC[C@@H](NC(=O)C1CC3(CNC[C@H]3C#N)C1)C2 1580017518 SYJMVXQMBFGHHZ-YZUGKSJVSA-N 314.393 -0.072 30 20 DBED N#Cc1nc(N2CCN(CC(F)F)CC2)cnc1-c1nn[nH]n1 1581879814 YWILCHZPANTUSD-UHFFFAOYSA-N 321.295 -0.085 30 20 DBED C#CC[C@@H](NC(=O)Cc1nc(C2CCOCC2)n[nH]1)C(=O)O 1588407579 KHFNAXMPFJANIQ-SNVBAGLBSA-N 306.322 -0.166 30 20 DBED C#CCO[C@@H](C)c1nc(-c2cn(CC(=O)O)c(=O)nc2O)no1 1588431001 JEUIKPHKJUKGPQ-ZETCQYMHSA-N 320.261 -0.206 30 20 DBED C=CCOC[C@H](NC(=O)c1cc2c(=O)[nH]c(C)cn2n1)C(=O)O 1588859703 UHKBDOQJOVMGHF-JTQLQIEISA-N 320.305 -0.283 30 20 DBED Cn1cc([C@@H]2C[C@@H](C(=O)O)CN(C(=O)NCC#CCO)C2)cn1 1594540762 QFAUUUYKWXCZMP-VXGBXAGGSA-N 320.349 -0.385 30 20 DBED N#C[C@H]1CNCC12CC(C(=O)N1CCCNC[C@H]1C(=O)O)C2 1601063741 YLBBMHKZWINUCZ-WVIDZAQPSA-N 306.366 -0.599 30 20 DBED N#Cc1ncn(CC(=O)N[C@@H](Cc2ccncc2)C(=O)O)n1 1601135366 SBFRJMHPEHPWLC-JTQLQIEISA-N 300.278 -0.643 30 20 DBED CC(CO)(CO)CSc1nc(N)c(-c2nn[nH]n2)cc1C#N 1603564911 BPDWRYHRVPHULD-UHFFFAOYSA-N 321.366 -0.201 30 20 DBED COC[C@]1(C(=O)O)CN(C(=O)Cc2noc(C)c2C#N)CCO1 1604550628 JXWZEDSHMCTMCU-AWEZNQCLSA-N 323.305 -0.274 30 20 DBED COc1cc(C(=O)N[C@@H]2CCN(O)C2=O)ccc1-c1nn[nH]n1 1605196332 QGGITOQGOKHFBT-SECBINFHSA-N 318.293 -0.405 30 20 DBED N#Cc1ccc(CS(=O)(=O)N[C@@H](CO)C(=O)O)c(F)c1 1610626905 AYGFUGRVGATVJT-JTQLQIEISA-N 302.283 -0.438 30 20 DBED CNC(=O)C1(C(=O)NC[C@@H](NCC#CCOC)C2CC2)CC1 1752517521 PXQHFMDWQIGDKM-CYBMUJFWSA-N 307.394 -0.353 30 20 DBED N#CCNC(=O)CN1CC[C@H](CCNC(=O)CN2CCCC2)C1 1753339928 VNLZKZSQQRMULI-AWEZNQCLSA-N 321.425 -0.450 30 20 DBED C=CCNC(=O)[C@H](C)N1CC(NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 1753387386 MYGYTBZATVVLOF-TUAOUCFPSA-N 322.409 -0.621 30 20 DBED C[C@@H](CN[C@@H]1CCC(=O)NC1=O)N(C)C(=O)c1cc(C#N)c[nH]1 1753688164 ZKAVXCGYODYEHJ-GXSJLCMTSA-N 317.349 -0.258 30 20 DBED C#CCO[C@H](C)C(=O)N(C)CCN(C)[C@@H]1CCC(=O)NC1=O 1753852957 GEWOZBZCTNZIOT-VXGBXAGGSA-N 309.366 -0.780 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)CCN(C)[C@@H]1CCCNC1=O 1753854960 GNENVKLYLOIZQD-CABCVRRESA-N 320.437 -0.247 30 20 DBED CCN(CCNCC#N)C(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 1754045620 VDVGRXDKPIYZDJ-NSHDSACASA-N 304.354 -0.276 30 20 DBED CC#CCNCCCN(C)C(=O)[C@H](C)NS(=O)(=O)CC 1754372530 AASLQIKGUWPBTF-LBPRGKRZSA-N 303.428 -0.224 30 20 DBED C#CCCN[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)C[C@H]1CC 1754466344 DGYHRDGQNLTJDZ-OLZOCXBDSA-N 320.393 -0.222 30 20 DBED C=CCC[C@@H](C)N1CC(O)(CNC(=O)Cn2ncn(C)c2=O)C1 1754769659 IIZKCOMNKICEGQ-GFCCVEGCSA-N 323.397 -0.901 30 20 DBED C#CCNC(=O)CN1CC[C@H]2[C@H]1CCCN2C(=O)c1ncc[nH]1 1754866001 SUADDMTUAVKHAQ-OLZOCXBDSA-N 315.377 -0.162 30 20 DBED COCC#CCN1C[C@@H]2CCCN(C(=O)c3nc[nH]n3)[C@@H]2C1 1754873401 IAAFYYVUBPSPEP-QWHCGFSZSA-N 303.366 -0.009 30 20 DBED N#CCNC1(CNC(=O)Cn2[nH]cc3c(=O)ncnc2-3)CCC1 1754989026 UGFGUPDDALCTCZ-UHFFFAOYSA-N 315.337 -0.777 30 20 DBED C#CCNC(=O)CN1CCC[C@@H](NC(=O)[C@@H](C)OCC#C)CC1 1755023480 ITBJMWWWWBBCLY-HUUCEWRRSA-N 319.405 -0.255 30 20 DBED C#CCCN1CC2(CC[C@@H](CNC(=O)C3(C(=O)NC)CC3)O2)C1 1755056432 BXXJINGWPZTEMS-ZDUSSCGKSA-N 319.405 -0.115 30 20 DBED C=CCNC(=O)NC(=O)CN[C@H]1CN(C(=O)C2CC2)C[C@H]1C 1755106432 ULCWQMSKJXCIIM-PWSUYJOCSA-N 308.382 -0.155 30 20 DBED C#CCCN[C@H]1CN(C(=O)CCCS(N)(=O)=O)C[C@@H]1C 1755114161 POZLSVJZMPCEGN-RYUDHWBXSA-N 301.412 -0.485 30 20 DBED C#Cc1ccc(C(=O)N2CCC(O)(CNCC(N)=O)CC2)cc1 1755151417 DORAYHBYXHAHSD-UHFFFAOYSA-N 315.373 -0.290 30 20 DBED C=CCN(C)[C@@H](C)CNC(=O)Cn1ncn2nccc2c1=O 1755318338 AHWVCZKOWBJXGI-NSHDSACASA-N 304.354 -0.487 30 20 DBED CC(C)C#CC(=O)NC1(CCO)CN(CC(=O)NCC2CC2)C1 1755331035 BDEGSIMIAVQWFL-UHFFFAOYSA-N 321.421 -0.275 30 20 DBED C#CCNC(=O)[C@H](C)N1CC(CCO)(NC(=O)C#CC2CC2)C1 1755331203 HKNBXQKYJFIRDF-ZDUSSCGKSA-N 317.389 -0.909 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(CNC(=O)CNC(=O)CC)[C@@H]2C1 1755421647 VCVVGOURWHCUPF-STQMWFEESA-N 322.409 -0.891 30 20 DBED C=CCN(CC=C)C(=O)CNC[C@H]1C[C@H](NC(=O)C(N)=O)C1 1755477482 VFFOQBCNFPYESZ-HAQNSBGRSA-N 308.382 -0.843 30 20 DBED C#CCCNC[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCS(=O)(=O)N1 1755573986 WOAGTPCBCKAZDA-STQMWFEESA-N 313.423 -0.472 30 20 DBED C#CCOCCC(=O)N(C)C[C@@H](C)N[C@H](C)C(=O)NC(N)=O 1755587037 VBKZBGPRCYERGV-GHMZBOCLSA-N 312.370 -0.954 30 20 DBED C=CCNC(=O)CN[C@@H](CO)CNC(=O)[C@@H]1Cc2ccccc21 1755637367 YUAQZMGDBGCBHY-UKRRQHHQSA-N 317.389 -0.305 30 20 DBED C[C@@H]1C[C@@H](NCC(=O)NCC#N)CN1C(=O)COCC1CC1 1755670235 PZGFXKGAOSTXFB-DGCLKSJQSA-N 308.382 -0.368 30 20 DBED CCS(=O)(=O)NCC(=O)N[C@]12CCC[C@H]1N(CC#N)CC2 1755700864 HINLTWPCHPFRAZ-YPMHNXCESA-N 314.411 -0.438 30 20 DBED O=C(C#CC1CC1)N[C@H](CO)CNC(=O)CC1CCOCC1 1756509002 GUJSEYOYHYYNPC-AWEZNQCLSA-N 308.378 -0.190 30 20 DBED C#CCO[C@H](C)C(=O)NCCC1(CNC(=O)c2cnn[nH]2)CC1 1756894254 FIKMNUVIHGIBPL-LLVKDONJSA-N 319.365 -0.141 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1CN(C(=O)C2(NC(N)=O)CC2)C[C@H]1O 1757022151 KIWWPTGHQZYEDG-NXEZZACHSA-N 324.381 -0.913 30 20 DBED CC(C)COCCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H](C)C#N)C1 1757029921 OHRUIPNJIFGKJZ-YNEHKIRRSA-N 311.382 -0.103 30 20 DBED C=C(C)CCC(=O)N1C[C@@H](NC(=O)[C@H]2CNC(=O)N2)[C@H](OC)C1 1757146415 SPJMIFSNFPSMFY-IJLUTSLNSA-N 324.381 -0.634 30 20 DBED CC[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC#N)C[C@@H]21 1783955075 ZROORQBNJVIDST-CYDGBPFRSA-N 309.366 -0.349 30 20 DBED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnsn3)[C@H]2C1 1785662948 NWQKSDZFGNGOBT-NHCYSSNCSA-N 320.374 -0.235 30 20 DBED COCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)S)C[C@@H]21 1786496285 PAIHRAMLJLVIAY-BJDJZHNGSA-N 316.423 -0.069 30 20 DBED N#CC1(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H](N)CN)CC1 1796780315 ZJHRCUOUSGFDEY-USZNOCQGSA-N 305.382 -0.786 30 20 DBED N#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@H](O)C1 1797148003 OXYLRBROUVNXRT-DEWSTNBRSA-N 321.377 -0.349 30 20 DBED N#CCC(=O)N1CCC([C@H]2CCCCN2C(=O)C(O)O)CC1 1824025005 WKFQINYKSYAKEC-GFCCVEGCSA-N 309.366 -0.170 30 20 DBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(=O)CC)CCO2 1839831664 JGMFLLMHVHHBNF-HNNXBMFYSA-N 308.334 -0.945 30 20 DBED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)c2cnsn2)C1 1842226688 NLCDUIGEQUEGBR-UHFFFAOYSA-N 320.330 -0.557 30 20 DBED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)c1cocn1)C2 1846195090 ANGMWGBGPVLMNA-UHFFFAOYSA-N 303.274 -0.420 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)[C@@H]1CCCN(C(N)=O)C1 12691544 NYRJRPPEDHNVRT-SECBINFHSA-N 312.326 -0.668 30 20 DBED C[C@@H](CNc1c(C#N)c(=O)n(C)c(=O)n1C)N1CCN(C)CC1 57838077 HIIDKBRGFHYPOO-NSHDSACASA-N 320.397 -0.997 30 20 DBED CCN(CC)CC#C[C@H](C)OC(=O)c1cn(CC(N)=O)nn1 121567558 VGZOFYPUXUYING-NSHDSACASA-N 307.354 -0.346 30 20 DBED COc1ccc(C#N)cc1NC(=O)CNC(=O)CNC(C)=O 140953705 AZRHIPUWSNKHHJ-UHFFFAOYSA-N 304.306 -0.242 30 20 DBED C=C[C@H](C)NS(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C 152707906 ADDKLIDMHYNANI-ZETCQYMHSA-N 310.335 -0.525 30 20 DBED C=CCNC(=O)CNC(=O)NC[C@@H]1CN(CC(C)C)CCO1 181249382 WMLACIFYYZHNGC-CYBMUJFWSA-N 312.414 -0.055 30 20 DBED CS(=O)(=O)NCCCNS(=O)(=O)c1ccc(C#N)s1 231008901 MFWMJAZFYZBKPY-UHFFFAOYSA-N 323.421 -0.163 30 20 DBED C/N=C(/NCc1nc(C)no1)N1CCN(C(C)(C)C(N)=O)CC1 261855280 XSQYNCANMCZQOP-UHFFFAOYSA-N 323.401 -0.665 30 20 DBED CCC(=O)N1CC[C@@H](N/C(=N\C)NCC(C)(C)C(=O)NC)C1 261969910 MNMJSTVEPRDNOU-LLVKDONJSA-N 311.430 -0.066 30 20 DBED C=CCN(CC(=O)O)S(=O)(=O)N1CCC2(CC1)OCCO2 275200839 BAGUVULYPZZUIJ-UHFFFAOYSA-N 320.367 -0.357 30 20 DBED N#Cc1ccc(N2CC[C@@H](C(=O)NC(CO)CO)C2)c(F)c1 287976286 AFRSFTKLTRGZBL-LLVKDONJSA-N 307.325 -0.007 30 20 DBED C=C[C@H](CO)NC(=O)N[C@H]1CCN(c2cc(C)nn2C)C1=O 291131488 WHPPHESNJBEEDG-MNOVXSKESA-N 307.354 -0.320 30 20 DBED Cn1cc(C#N)c(=O)n(C[C@H](O)COCC(F)(F)F)c1=O 292578913 ZILHSPWEUIXCLG-QMMMGPOBSA-N 307.228 -0.642 30 20 DBED C#CCN(C)CCCNS(=O)(=O)c1cnn(CCOC)c1 293773830 LEWSSIGYRXCSKV-UHFFFAOYSA-N 314.411 -0.237 30 20 DBED Cn1cc(N2CCN(/C(O)=N/[C@@H]3CC[S@@](=O)C3)CC2)cn1 330028360 OJANTQARRLKFIE-WSVYEEACSA-N 311.411 -0.023 30 20 DBED CCc1nn(C)cc1/C(O)=N/CCNS(=O)(=O)N(C)C 330619868 ZRVVFXPMCNNTBE-UHFFFAOYSA-N 303.388 -0.317 30 20 DBED CC(C)N(CCN(C)C)S(=O)(=O)N1CCO[C@H](C#N)C1 336886624 KESXCCFVYBTPRC-GFCCVEGCSA-N 304.416 -0.272 30 20 DBED CCN1CCC[C@H]1CNS(=O)(=O)N1CCO[C@H](C#N)C1 336897334 OJBYWYAGHWHGPQ-NWDGAFQWSA-N 302.400 -0.471 30 20 DBED CC1(C)[C@H](NS(=O)(=O)N2CCO[C@H](C#N)C2)[C@H]2CCO[C@H]21 337071236 OTMBVZXRRVRGSY-DDHJBXDOSA-N 315.395 -0.141 30 20 DBED CC[C@@H](C)N(CC(=O)OC)S(=O)(=O)N1CCO[C@H](C#N)C1 337215155 YBQFUGPYTCTKRW-GHMZBOCLSA-N 319.383 -0.271 30 20 DBED CNC(=O)[C@@H]1CCC[C@H]1NS(=O)(=O)N(C)[C@H](C)CC#N 337771030 OGSUAVYLGOCGBM-GMTAPVOTSA-N 302.400 -0.031 30 20 DBED C=CCCOCCNC(=O)C(=O)NCc1nnc2n1CCCC2 342770054 FKAYFYSDMLVKMB-UHFFFAOYSA-N 321.381 -0.061 30 20 DBED O=C(NCC#Cc1ccccc1)c1cn(CCO)c(=O)nc1O 345548647 FAMDLYULUODOJX-UHFFFAOYSA-N 313.313 -0.277 30 20 DBED C=CCOC[C@H]1NC(=O)N(CC2(S(C)(=O)=O)CC2)C1=O 348743932 QZBMXSIIDNJNDW-SECBINFHSA-N 302.352 -0.313 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCN[C@H]2CC)CC1 353458944 LAGHVSNVBPOGNV-KGLIPLIRSA-N 308.426 -0.179 30 20 DBED C=C[C@@H](CO)NC(=O)C(=O)Nc1ccc(C)c(-n2cnnn2)c1 354567557 OXIVBZBQDWHQTE-JTQLQIEISA-N 316.321 -0.428 30 20 DBED C=CCSCCNC(=O)C(=O)N1C[C@H](C)O[C@H](CO)C1 355290578 MRVZDGDPRJNZEY-QWRGUYRKSA-N 302.396 -0.370 30 20 DBED CN(C[C@@H](O)CO)C(=O)c1ccc(-n2ncc(C#N)c2N)cc1 355605569 LFLWTWNTXFUCLO-CYBMUJFWSA-N 315.333 -0.249 30 20 DBED N#CCC(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 372485260 BKIZVPNRQDENNT-NSHDSACASA-N 301.368 -0.447 30 20 DBED N#Cc1cccc(CN2CCN3C(=O)C(=O)NC[C@@H]3C2)c1F 408099563 MWPVVYUZBDHQJE-GFCCVEGCSA-N 302.309 -0.160 30 20 DBED C[C@H]1[C@@H](C)N(S(=O)(=O)N(C)CCC#N)CCS1(=O)=O 408192159 KOTPQAGOKLWVQZ-ZJUUUORDSA-N 309.413 -0.416 30 20 DBED N#Cc1cc(NC(=O)C(=O)N2C[C@H](O)C[C@@H]2CO)ccc1F 442270381 LJSAUQIHBOQCKY-GHMZBOCLSA-N 307.281 -0.410 30 20 DBED C=CCCCS(=O)(=O)NC[C@](C)(O)CN1CCOCC1 489602204 IAAAIDWEUPCJIE-ZDUSSCGKSA-N 306.428 -0.045 30 20 DBED C#CCN1CCN(C(=O)CN2CC[S@](=O)[C@@H](C)[C@H]2C)CC1 491747970 XDKJLZQSUHLBAG-YPENRWOSSA-N 311.451 -0.395 30 20 DBED C#CCN(C)CCCNC(=O)c1cnn(C)c1-n1cnnc1 491749881 ZWWUWJZRJNBQGI-UHFFFAOYSA-N 301.354 -0.314 30 20 DBED C=CCN(C(=O)[C@@H]1NC(=O)O[C@H]1C)[C@H]1CCS(=O)(=O)C1 496130356 SPJYLBQNYIBKNK-LPEHRKFASA-N 302.352 -0.315 30 20 DBED C=CCN1CC[C@H](N(C)CN2C[C@@H](C(=O)OC)OC2=O)C1=O 496714066 TZSDPCPBOBABCJ-QWRGUYRKSA-N 311.338 -0.344 30 20 DBED N#CC1(NC(=O)CN2[C@H]3C[C@H]4[C@H]([C@@H]3O)[C@@H]3C[C@H]4[C@H](O)[C@@H]32)CCC1 563215832 HJZAVYQKQXMSRZ-LKEUZIEGSA-N 317.389 -0.391 30 20 DBED CCN(CC#N)S(=O)(=O)c1ccccc1S(N)(=O)=O 573888195 MVKYLBSCIZHJOX-UHFFFAOYSA-N 303.365 -0.132 30 20 DBED N#Cc1ccc(S(=O)(=O)CCNCCN2CC[C@@H](O)C2)cc1 600760441 UFEGMWYTZAOGPG-CQSZACIVSA-N 323.418 -0.012 30 20 DBED C[C@H]1CN(C(=O)C(=O)N2CCN(CCC#N)CC2)[C@@H](C)CN1 601581549 IAWJULHLBVJIAQ-STQMWFEESA-N 307.398 -0.747 30 20 DBED CN(CCC#N)S(=O)(=O)N1CCN(CCO)C(C)(C)C1 614853792 AMQNQRGXNPYSFJ-UHFFFAOYSA-N 304.416 -0.535 30 20 DBED CS(=O)(=O)NC1CC(NC(=O)CNc2ccc(C#N)cn2)C1 619778165 BKZQBEHDROZNLQ-UHFFFAOYSA-N 323.378 -0.438 30 20 DBED C=CCCOCC(=O)OCCn1ncc(-c2nn[nH]n2)c1N 735416356 HEWIHQIBGGCLLT-UHFFFAOYSA-N 307.314 -0.219 30 20 DBED C=C(CN(C)C)C(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 763953391 IXFZGDXTVQITHT-ZDUSSCGKSA-N 315.439 -0.565 30 20 DBED C=CCS(=O)(=O)CCNC(=O)[C@@H](OC)c1cnn(C)c1 798494953 ODLKLUJFEQFCGU-NSHDSACASA-N 301.368 -0.175 30 20 DBED CC#CC(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 801185439 TXLLCSXEQMGJBI-GFCCVEGCSA-N 300.380 -0.337 30 20 DBED C#C[C@H](NC(=O)C(=O)N1C[C@H](C)O[C@@H](COC)C1)[C@@H]1CCCO1 809310738 RKRLLTBEZVYGML-CRWXNKLISA-N 324.377 -0.454 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N1CCO[C@H](C(=O)O)C1 819720295 SWBCGSUXRBXXSE-VIFPVBQESA-N 306.340 -0.918 30 20 DBED N#Cc1nc(NC(=O)[C@@H]2CCc3n[nH]cc3C2)[nH]c1-c1nn[nH]n1 826382555 JPPZJJUTNNKDQL-ZCFIWIBFSA-N 324.308 -0.072 30 20 DBED O=C(NCCN/C(O)=C1\N=CC=CC1=O)NC1CN(C(=O)O)C1 831692909 CYNWAJBMSYOMMT-ZHACJKMWSA-N 323.309 -0.826 30 20 DBED CNS(=O)(=O)N1CCN(C(=O)C#Cc2ccccc2)CC1 846084217 FGJOTMUOSNECKE-UHFFFAOYSA-N 307.375 -0.354 30 20 DBED Cc1nn(CC(=O)O[C@@H](C)C(=O)N(C)CCC#N)c(=O)n1C 848847026 SOKLAMGNQFKHBZ-VIFPVBQESA-N 309.326 -0.806 30 20 DBED C#CCNS(=O)(=O)c1ccc(C(=O)N2CC(O)(C#C)C2)cc1 890520972 SVIDHAAKSBFVJW-UHFFFAOYSA-N 318.354 -0.582 30 20 DBED C#CCCOc1ccc(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)cc1 913366977 VGNLMHZJCRSYNS-ZIAGYGMSSA-N 323.370 -0.024 30 20 DBED CS(=O)(=O)N1CC[C@@H](NC(=O)N2CCC[C@@H](C#N)C2)C1 923071681 ZKXGLUCBCIGWSK-WDEREUQCSA-N 300.384 -0.035 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@H]2C[C@H]3C=C[C@H]2O3)CC1 929570741 UMNLMFBWTJWKIW-HZSPNIEDSA-N 305.378 -0.224 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCN(C(=O)CC(C)(C)O)C2)nn1 940505148 UPTYEVKCOLQWPR-LLVKDONJSA-N 321.381 -0.044 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](NC(=O)C(N)=O)[C@H](c2ccccc2)C1 940880546 SAAQDEXHDOUEDM-WCFLWFBJSA-N 314.345 -0.258 30 20 DBED CO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1NC(=O)c1[nH]cnc1C 942770992 DVWYCHPRKMWGFD-FBIMIBRVSA-N 305.338 -0.167 30 20 DBED C=C(Cl)CN1CCC2(CC1)CN(C(=O)C(N)=O)CCO2 949174533 VZLUSSWDFGXASJ-UHFFFAOYSA-N 301.774 -0.082 30 20 DBED Cn1cc(C(=O)N2CCOC3(CCN(CC#N)CC3)C2)nc1O 949179387 IYRZPUDEBKWYNX-UHFFFAOYSA-N 319.365 -0.044 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]1CNC(=O)c1ccoc1CC(N)=O 951844983 BBERKIOFFDLYCG-NXEZZACHSA-N 318.333 -0.202 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1cn(C)nn1 952172595 CKGUCWZOXNCPEU-WZRBSPASSA-N 319.365 -0.263 30 20 DBED NC(=O)CC(=O)N1[C@H]2CCC[C@H]1CN(C(=O)C#CC1CC1)C2 952712018 BADDFPANHBFAOR-STQMWFEESA-N 303.362 -0.133 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@]2(CCN(C(=O)c3nnn(C)n3)C2)C1 953204240 KFFXMBSLWFKHLC-YGRLFVJLSA-N 317.353 -0.566 30 20 DBED CN(C(=O)c1ccc(C#N)[nH]1)C1CN(C(=O)[C@@H]2COCCO2)C1 954080070 TXOZLZKZUGABIC-ZDUSSCGKSA-N 318.333 -0.415 30 20 DBED C[C@@]1(NC(=O)[C@@H]2COC(=O)N2)CCN(C(=O)C#CC2CC2)C1 956880615 SNYFZNYXJKPUQJ-XHDPSFHLSA-N 305.334 -0.385 30 20 DBED CN(C)c1cnc(C(=O)NC[C@@H]2CN(CC#N)C[C@H]2O)cn1 958070231 YQRYLRIKHPQEQO-ZYHUDNBSSA-N 304.354 -0.911 30 20 DBED CC#CCN1C[C@@H](O)[C@H](CNC(=O)c2cnc3nccn3c2)C1 958253360 HSXBBOZSLAPFRD-TZMCWYRMSA-N 313.361 -0.225 30 20 DBED Cn1nnc2c1C[C@@H](C(=O)N[C@H]1[C@@H]3CN(CC#N)C[C@@H]31)CC2 961596590 FPJRMGRPVGJOTE-KZWBYHQPSA-N 300.366 -0.510 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CN(C(=O)[C@H]3CCC(=O)N3C)C[C@H]2C1 962182627 MMDNCOOTNQUVGW-WUHRBBMRSA-N 318.377 -0.316 30 20 DBED Cc1nnsc1C(=O)NC[C@@H]1COCCN1C(=O)[C@H](C)C#N 964073034 AFQSTZBPROHOCI-PSASIEDQSA-N 323.378 -0.037 30 20 DBED CN1CC[C@@H](N[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1=O 968346737 BSDPNCAAPJVSRJ-VXGBXAGGSA-N 301.350 -0.079 30 20 DBED N#CCN1CCCCC[C@H]1CNC(=O)[C@@H]1CC(=O)NC(=O)N1 969053854 NBBCHWBDYJIMGU-QWRGUYRKSA-N 307.354 -0.531 30 20 DBED C#CCCN1CC([C@H](C)NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 970517780 GITCZKYBJBODJG-NSHDSACASA-N 318.377 -0.843 30 20 DBED Cc1nc(C)c(C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2O)[nH]1 970682934 IWYRTDGTUQKNQG-OLZOCXBDSA-N 316.361 -0.259 30 20 DBED C#CCN(C)[C@@H]1CCN(C(=O)[C@@H]2CCc3nnc(O)n3C2)C1 971819014 UKJAGRNJKULILB-VXGBXAGGSA-N 303.366 -0.288 30 20 DBED C=CCn1cc(C(=O)N2CC[C@]3(CN(CCO)CCO3)C2)nn1 972586379 XIRHBFIVPPAYTP-HNNXBMFYSA-N 321.381 -0.627 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CCCN2C)C1 990521877 GWMFMWLILRSJSX-RDBSUJKOSA-N 307.394 -0.001 30 20 DBED C[C@H](C#N)C(=O)N1CC(NC(=O)Cn2cc(C3CC3)nn2)C1 993936502 IGMZXEGPOZHPRD-SECBINFHSA-N 302.338 -0.358 30 20 DBED C#CCN[C@H]1CN(C(=O)CN2C(=O)CN(C)C2=O)CC1(C)C 996583626 IBRKOORCXZAXOE-NSHDSACASA-N 306.366 -0.660 30 20 DBED C=C[C@](C)(CC)C(=O)N1CC(NC(=O)Cn2c(O)nnc2O)C1 997257644 HONBKNVGMNHOAZ-CQSZACIVSA-N 323.353 -0.381 30 20 DBED CC#CCN1CC=C(CNC(=O)c2cn(C)c(=O)nc2O)CC1 1001440099 UCUBSWQEWITHIZ-UHFFFAOYSA-N 316.361 -0.129 30 20 DBED N#Cc1cc(C(=O)NC[C@H]2CCCCCN2C(=O)C(N)=O)c[nH]1 1005401454 FTFSWGRCIFOFRF-GFCCVEGCSA-N 317.349 -0.127 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](CNC(=O)c3cncnc3O)[C@H]2C1 1009179743 XMBSDXKOTJCPJI-FSZOTQKASA-N 315.333 -0.224 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2ccc(S(N)(=O)=O)o2)C1 1015082806 FBSAUXRCGVLJJR-SNVBAGLBSA-N 311.363 -0.246 30 20 DBED C#CCN1CCC2(CC1)C[C@@H]2NC(=O)c1cn(C)c(=O)nc1O 1016968742 PIICENCNHJMEFD-LBPRGKRZSA-N 316.361 -0.297 30 20 DBED C=CCCn1cc(C(=O)N[C@@H]2CN(C(=O)CC)C[C@H]2O)nn1 1023919585 UQHTUANDNLIMFI-ZYHUDNBSSA-N 307.354 -0.434 30 20 DBED C=CCN[C@@H]1CC[C@H]2CN(C(=O)Cn3ccc(O)nc3=O)C[C@@H]21 1026305795 DBFQQKPLVVCDIN-RWMBFGLXSA-N 318.377 -0.039 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2CN([C@H](C)C(N)=O)CCO2)cc1 1035471245 PYHNBQUBQRBBEU-DOMZBBRYSA-N 315.373 -0.028 30 20 DBED C#CCN1CC[C@H]2CN(C(=O)CN3CCC(=O)NC3=O)CC[C@H]21 1036865865 URUIYFMTKAUDJI-QWHCGFSZSA-N 318.377 -0.516 30 20 DBED C#CCNC1C[C@@H]2CCC[C@H](C1)N2C(=O)CN1CCOCC1=O 1039289167 OUDSNLLKGLYBFW-GOOCMWNKSA-N 319.405 -0.020 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)C(C)(F)F)C1 1041154295 KSSJXAYDWCBFDH-VIFPVBQESA-N 306.309 -0.078 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)c2cc[n+]([O-])cc2)C1 1041329651 JAUCJEAZZDRVND-UHFFFAOYSA-N 305.334 -0.411 30 20 DBED N#Cc1nccnc1N[C@@H]1C[C@@H](NC(=O)C(N)=O)C12CCC2 1041614006 XDBAJSARXHJEOY-NXEZZACHSA-N 300.322 -0.327 30 20 DBED C[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1NC(=O)[C@@H]1COC(=O)N1 1041893199 ZZRJMAAOAQRSSD-IEBDPFPHSA-N 316.321 -0.602 30 20 DBED COC[C@H](C)C(=O)NCC1(O)CN(C(=O)c2c[nH]c(C#N)c2)C1 1042023138 JVGSGJHPAOEIKY-JTQLQIEISA-N 320.349 -0.528 30 20 DBED C#CCN1CC[C@@H]2CCN(C(=O)c3ccc(=O)n(C)n3)C[C@H]21 1042340609 HEBXMSMAALHJSL-TZMCWYRMSA-N 300.362 -0.050 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)c2cc(C#N)c[nH]2)C1 1042400660 GANZNLCHCLRATB-VIFPVBQESA-N 301.306 -0.651 30 20 DBED N#Cc1cc(C(=O)NCC2(O)CN(C(=O)[C@H]3CC3(F)F)C2)c[nH]1 1042669878 ZCXWLNSFGAFLLD-SNVBAGLBSA-N 324.287 -0.155 30 20 DBED Cc1ocnc1C(=O)N1CC(O)(CNC(=O)C#CC(C)C)C1 1042937046 XKHIJLSZGLATKQ-UHFFFAOYSA-N 305.334 -0.054 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1(O)CN(C(=O)C(F)F)C1 1043245411 JPKUUKWDUHBJGX-UWVGGRQHSA-N 318.320 -0.078 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H]2CN(c3ccnc(C#N)n3)C[C@@H]21 1043681966 USFQSTLKXZNYRW-SDDRHHMPSA-N 312.333 -0.076 30 20 DBED C=CCN1CC[C@H](N2CC(N(C)C(=O)Cc3cnc[nH]3)C2)C1=O 1043974540 FAEOPYKXNKMBBJ-AWEZNQCLSA-N 317.393 -0.118 30 20 DBED C=CCN1CC[C@H](N2CCN(C(=O)c3cc(=O)n(C)o3)CC2)C1 1046024059 DKELWGDADOQJDL-ZDUSSCGKSA-N 320.393 -0.004 30 20 DBED N#CCN1CC[C@H](N2CCN(C(=O)c3csnn3)CC2)C1 1046046830 FRASSODAONYTEB-NSHDSACASA-N 306.395 -0.106 30 20 DBED CN(C(=O)CN1CCCCCCC1=O)[C@H]1CN(CC#N)C[C@@H]1O 1047401442 QRCVSMYYFIYIQP-KBPBESRZSA-N 322.409 -0.194 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCn3cc(C)nc3C2)C1 1047427897 MSXBODZLERGHQP-KKUMJFAQSA-N 316.405 -0.109 30 20 DBED C=CC(C)(C)C(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CCNC2=O)C[C@@H]1O 1049180284 BJASJRXHFKPLED-WOPDTQHZSA-N 323.393 -0.635 30 20 DBED C#CCOCCC(=O)N1CC[C@H]([C@H](C)NC(=O)CNC(C)=O)C1 1050728939 NXTSNUZNUFLJLV-JSGCOSHPSA-N 323.393 -0.484 30 20 DBED CCn1cc(CNC[C@H]2CN(C(=O)[C@@H](C)C#N)CCO2)nn1 1051495253 SQNJBWKMQMFUMC-AAEUAGOBSA-N 306.370 -0.225 30 20 DBED Cn1c(O)ncc(C(=O)N[C@H]2CCCN(CC#N)CC2)c1=O 1052617730 OIJGCDKNOROXDA-JTQLQIEISA-N 305.338 -0.406 30 20 DBED CC#CCN1CCC[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)CC1 1052906406 WCUDZQJIZUWCTF-CQSZACIVSA-N 319.409 -0.116 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)Cn2cncn2)C[C@@H]1C 1053477643 DFBKRMREGSVJMY-STQMWFEESA-N 321.381 -0.309 30 20 DBED N#Cc1nccc(N2C[C@@H]3C(NC(=O)c4nccnc4N)[C@H]3C2)n1 1056153194 QOKQSHSAAXOYNQ-IUCAKERBSA-N 322.332 -0.415 30 20 DBED N#Cc1nccc(N2C[C@H]3C(NC(=O)Cn4ccnc4)[C@@H]3C2)n1 1056244300 DABLNJLNAJDQQC-GHMZBOCLSA-N 309.333 -0.204 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)[C@@H]1CCNC(=O)C1 1057171020 KTGBUVZFRNOQDD-GFCCVEGCSA-N 311.382 -0.584 30 20 DBED C#CCNC(=O)CC(=O)NCCN(CCO)C(=O)/C=C(/C)CC 1057507170 IEQNUKBDURESJQ-QBFSEMIESA-N 323.393 -0.581 30 20 DBED C#CCO[C@H](C)C(=O)N(CCO)CCNC(=O)c1cc(C)on1 1057583112 HKBZSBZKLSWVND-GFCCVEGCSA-N 323.349 -0.428 30 20 DBED N#Cc1ccc(N2CC[C@H](NC(=O)[C@@H]3CNC(=O)N3)C2)nc1 1058530803 ALNFXKWCVGGSII-QWRGUYRKSA-N 300.322 -0.670 30 20 DBED CC#CCCCC(=O)NCCN(CCO)C(=O)C1(C(N)=O)CC1 1058637209 HZWSJPROPWRTQJ-UHFFFAOYSA-N 323.393 -0.617 30 20 DBED COc1nccc(C(=O)NCCN(CCO)C(=O)[C@H](C)C#N)n1 1058655371 WZCLCUTUNGSORB-SNVBAGLBSA-N 321.337 -0.804 30 20 DBED C=CCOCC(=O)N1CC[C@@H](CCNC(=O)[C@H]2CNC(=O)N2)C1 1059337278 DUKZUWZOCAHHFF-VXGBXAGGSA-N 324.381 -0.775 30 20 DBED N#Cc1ccc(NC[C@H]2CCN(C(=O)Cn3cnnn3)C2)cn1 1060804697 ZVBURYHVGVIMFU-LLVKDONJSA-N 312.337 -0.100 30 20 DBED CC(C)C#CC(=O)N1CC2(CCN(C(=O)CC(N)=O)CC2)C1 1060998770 RUVQMFSVRIIUET-UHFFFAOYSA-N 305.378 -0.028 30 20 DBED Cn1ncc(C(=O)NC[C@H]2CCCN2c2cnc(C#N)cn2)n1 1061376239 MWPJOYUPMQMKQH-LLVKDONJSA-N 312.337 -0.124 30 20 DBED Cc1cc(CC(=O)NC[C@H]2COCCN2C(=O)[C@H](C)C#N)n[nH]1 1061495414 ASUHJYRKORFZHX-MFKMUULPSA-N 319.365 -0.236 30 20 DBED Cn1nncc1C(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(C#N)cn1 1062480464 VKAGMMMMVGZYRK-QWRGUYRKSA-N 310.321 -0.420 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(NC(=O)Cn2ncnn2)CCC1 1062866920 UMJWMVFADZYUDK-CYBMUJFWSA-N 322.369 -0.845 30 20 DBED C=CCOCC(=O)NC1(CNC(=O)[C@H]2COC(=O)N2)CCC1 1062897637 DBZBDQHTIZJHLJ-SNVBAGLBSA-N 311.338 -0.548 30 20 DBED CN(C(=O)[C@@H]1CCC(=O)N1)[C@@H]1CCN(c2nccnc2C#N)C1 1062960504 WNZJNXMWJSGUJB-MNOVXSKESA-N 314.349 -0.336 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CN(C(=O)c2cc[n+]([O-])cc2)CCO1 1064807775 FGYUTULVDCJXEN-YPMHNXCESA-N 318.333 -0.563 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(C(=O)[C@H]2COCCO2)CCO1 1064881343 SEEFBBSWDZVPIZ-ZIAGYGMSSA-N 322.361 -0.841 30 20 DBED C=CCCC(=O)N1CCO[C@H](CNC(=O)c2cnn(C)c2N)C1 1064956509 YXXZHDRIJJTZLE-LLVKDONJSA-N 321.381 -0.074 30 20 DBED CC(C)C#CC(=O)N1CCO[C@H](CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 1065133221 QGPBXMPDQRPOHZ-UPJWGTAASA-N 321.377 -0.889 30 20 DBED C[C@H](C#N)C(=O)N(C)CCCN(C)C(=O)[C@@H]1CCCNC1=O 1067641991 VTMBILQMERYRCD-VXGBXAGGSA-N 308.382 -0.021 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@@H](CNC(=O)c3ccncc3)C2)nn1 1067642969 NUFWBGZHJBZQLA-GXTWGEPZSA-N 324.344 -0.030 30 20 DBED O=C(C#CC1CC1)N[C@@H]1COC2(C1)CN(C(=O)c1cc[nH]n1)C2 1068860922 VFJJNMJZCRDYGN-LBPRGKRZSA-N 314.345 -0.077 30 20 DBED C=CCCC(=O)N1CC2(C[C@H](NC(=O)[C@@H]3CCC(=O)N3)CO2)C1 1068940616 ZOHSYBHGEYKWCX-RYUDHWBXSA-N 321.377 -0.283 30 20 DBED C=C[C@@H](CC)CC(=O)N[C@H]1COC2(C1)CN(C(=O)C(N)=O)C2 1068976306 UVQVZFKTEBBUDI-WDEREUQCSA-N 309.366 -0.440 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1COC2(C1)CN(C(=O)c1cnn(C)c1)C2 1069003144 KHSOHKQSSAMFJD-ZYHUDNBSSA-N 317.349 -0.321 30 20 DBED C[C@@H]1C[C@@H](N=c2cc[nH]c(C#N)n2)CN1C(=O)c1nccnc1N 1069055533 VPLGBAUSTWAPKA-NXEZZACHSA-N 324.348 -0.143 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2nocc2C)C[C@@H]1n1ccnn1 1070307136 TYHUFVUUKMGSAJ-NEPJUHHUSA-N 300.322 -0.137 30 20 DBED Cc1nonc1C(=O)N1C[C@H](n2ccnn2)[C@H](NCC#N)C1 1070338199 WOHQTBAFRIISOZ-ZJUUUORDSA-N 302.298 -0.852 30 20 DBED Cn1cncc1[C@@H]1CN(C(=O)c2cnns2)C[C@H]1NCC#N 1070627643 XVFQJXWWLIEFCD-NXEZZACHSA-N 317.378 -0.007 30 20 DBED CC#CCCCC(=O)N[C@@H]1CN(C(=O)CNC(N)=O)C[C@@H]1C 1071555848 FOEHVAADDZQIRZ-NWDGAFQWSA-N 308.382 -0.189 30 20 DBED C[C@H]1CC[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)CN1CC#N 1071860241 HEEYOAJFBLZCJP-QWRGUYRKSA-N 319.365 -0.810 30 20 DBED C[C@H]1CN(C(=O)c2cnn(C)n2)C[C@@H]1NC(=O)C#CC1CC1 1072390869 VTCLENCWEAYDQK-GWCFXTLKSA-N 301.350 -0.195 30 20 DBED C[C@@H]1CN(C(=O)Cn2cncn2)C[C@@H]1NC(=O)CSCC#N 1072773294 QLVQAIBADLVQPZ-MNOVXSKESA-N 322.394 -0.502 30 20 DBED N#CCN1CCC2(C1)CN(C(=O)Cc1nc3ncccn3n1)C2 1073426197 ULIHLTNSENUUMK-UHFFFAOYSA-N 311.349 -0.275 30 20 DBED C=CCCO[C@H](C)C(=O)N[C@@H](C)CCNC(=O)CNC(N)=O 1075542481 OZEQZVVAHQXJNN-WDEREUQCSA-N 314.386 -0.353 30 20 DBED C=CCOCC(=O)NCC[C@H](C)NC(=O)[C@]1(C)CCNC1=O 1075919803 CJWPPVVXCYOBFF-XHDPSFHLSA-N 311.382 -0.274 30 20 DBED C[C@@H](CCNC(=O)c1cc(C#N)c[nH]1)NC(=O)c1nnn(C)n1 1076074125 NFSSMSONPBKTON-QMMMGPOBSA-N 316.325 -0.652 30 20 DBED C=CCO[C@H](C)C(=O)NCC[C@H](C)NC(=O)Cc1nc[nH]n1 1077067567 FMBNSHYAZFPUBA-WDEREUQCSA-N 309.370 -0.051 30 20 DBED CC(=O)N(C)c1ccc(C(=O)N[C@@H]2CN(CC#N)C[C@H]2O)cc1 1078252591 OWKJJVGXQOSLSJ-HUUCEWRRSA-N 316.361 -0.032 30 20 DBED C#CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)[C@H]2CCC(=O)N2)C1 1079774568 GMOULCZIJHUULY-DGCLKSJQSA-N 321.377 -0.637 30 20 DBED C#CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)c2nc[nH]n2)C1 1079776510 IFEVFLGDOLCUJI-SNVBAGLBSA-N 305.338 -0.484 30 20 DBED C=CCCOCC(=O)N(CC)C1CN(C(=O)Cn2cncn2)C1 1079977980 BPYKSJHSGZEHKK-UHFFFAOYSA-N 321.381 -0.070 30 20 DBED C=CCOCC(=O)N1CC(N(CC)C(=O)[C@H]2CCC(=O)NC2)C1 1080062771 XRAGFFJPVXPZGJ-LBPRGKRZSA-N 323.393 -0.226 30 20 DBED C#CCCCC(=O)N1C[C@H](CNC(=O)c2cn(C)cn2)[C@@H](O)C1 1081408742 RFNNFZLVHKMVGT-JSGCOSHPSA-N 318.377 -0.227 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H]1CCCCN1C(=O)CC(N)=O 1081974008 VAZQCPMORALNSB-RYUDHWBXSA-N 309.366 -0.603 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)C[C@@H]1CCN(C)C1=O 1083115227 WTIVFGPKKKLPBP-SOUVJXGZSA-N 319.405 -0.210 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2cncc(N3CCCC3)n2)C1 1083836045 FVDNKZRKZHKVAG-KGLIPLIRSA-N 315.377 -0.515 30 20 DBED C[C@H]1CC[C@@H](NC(=O)CNC(N)=O)CN1c1cncc(C#N)n1 1089110290 PZELVGNZWJAWNW-VHSXEESVSA-N 317.353 -0.510 30 20 DBED C[C@H](NC(N)=O)C(=O)N1CC[C@H](Nc2cnc(C#N)cn2)[C@@H]1C 1090216041 HEBCGFXENLKOCJ-QXEWZRGKSA-N 317.353 -0.194 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cnc3[nH]c(O)nc3c2)[C@@H](O)C1 1090379169 VNXGHZGOQJFCOG-JQWIXIFHSA-N 315.333 -0.538 30 20 DBED CCN(C)CCC(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1O 1090473411 MEVNZWRTLNYDMK-CHWSQXEVSA-N 318.381 -0.644 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)c2ccc(C(N)=O)nc2)[C@@H](O)C1 1090851471 DMNLJXYBEJKOPV-OCCSQVGLSA-N 318.377 -0.078 30 20 DBED CCCOCC(=O)N[C@H]1CCN(c2cncc(C#N)n2)C[C@H]1O 1092141996 CKHGYTGKOBRPJR-QWHCGFSZSA-N 319.365 -0.169 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1CNC(=O)[C@H]1CCCN(C(N)=O)C1 1092801245 PPXHRPDLWGLSIQ-FRRDWIJNSA-N 307.398 -0.015 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc2nnnn2n1 1092966717 GCBVJVMCGPNWHO-ZDCRXTMVSA-N 312.337 -0.095 30 20 DBED N#Cc1ccc(N2C[C@H]3C(NC(=O)CNC(N)=O)[C@@H]3C2)cn1 1093211881 WCAWKPVTHDRRRE-GHMZBOCLSA-N 300.322 -0.828 30 20 DBED CN1CC[C@@H](C(=O)NCCCN=c2cc[nH]cc2C#N)C1=O 1094704876 HRVWEDPAYXPOSB-LBPRGKRZSA-N 301.350 -0.228 30 20 DBED N#CCN1CC(N2C[C@H](NC(=O)C[C@@H]3CCCCO3)CC2=O)C1 1094720329 LITLZIJPBNLLKT-OCCSQVGLSA-N 320.393 -0.130 30 20 DBED CN(c1ccc(C#N)nc1)[C@H]1CCN(C(=O)CNC(N)=O)C1 1095091808 VOOAZBYWYRUGJZ-LBPRGKRZSA-N 302.338 -0.341 30 20 DBED C[C@@H](CC(=O)N1CC[C@H](Nc2cnc(C#N)cn2)C1)NC(N)=O 1096960997 NVIXKWHKTVNZNG-UWVGGRQHSA-N 317.353 -0.192 30 20 DBED N#Cc1cncc(NC[C@@H]2CCCN(C(=O)CNC(N)=O)C2)n1 1097351785 JZLVUHGOKCTFGX-JTQLQIEISA-N 317.353 -0.333 30 20 DBED CC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cn1ncn(C)c1=O 1097377579 CGBHDTRPZDLWDI-UPJWGTAASA-N 303.366 -0.673 30 20 DBED C[C@H](CNC(=O)[C@]1(C)CCC(=O)N1)N=c1cc[nH]c(C#N)n1 1098238326 VAQCGKODJRIHRA-OTYXRUKQSA-N 302.338 -0.645 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)C(C)=C2CCC2)[C@@H](O)C1 1099811942 AGTKNJVVKVCIIL-CABCVRRESA-N 319.405 -0.212 30 20 DBED CN(CCNC(=O)c1cc(C#N)c[nH]1)c1ccc2nnnn2n1 1100012377 QRRFAXHOWRJLHF-UHFFFAOYSA-N 311.309 -0.415 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)c2nccs2)[C@H](O)C1 1100043309 FSEGHZVQBQCREP-WDEREUQCSA-N 322.390 -0.943 30 20 DBED CC#CCNC1CC(CNC(=O)Cn2ccc(=O)n(C)c2=O)C1 1100382364 VYILNAANOHQXNC-UHFFFAOYSA-N 318.377 -0.945 30 20 DBED N#Cc1ccc(N2CCC[C@H]2CNC(=O)Cn2nccn2)nn1 1100872353 VBRBBTQNLWWOHY-LBPRGKRZSA-N 312.337 -0.275 30 20 DBED COC[C@H](OC)C(=O)NC[C@@H]1CCN(c2cnc(C#N)cn2)C1 1101050509 JPYITJYSKJNTAF-AAEUAGOBSA-N 319.365 -0.048 30 20 DBED C=CCN1C[C@@H](C)[C@H](CNC(=O)CNS(=O)(=O)N(C)C)C1 1102413659 PGEFTWSIXKYOQN-VXGBXAGGSA-N 318.443 -0.748 30 20 DBED C[C@H](CNc1cnc(C#N)cn1)N(C)C(=O)[C@H]1CN(C)C(=O)N1 1104767080 YWPWIMMQOLMSMX-MWLCHTKSSA-N 317.353 -0.369 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)[C@]1(C)CCNC1=O 1104818576 BRYFRIPSLUFWFV-MEBBXXQBSA-N 316.365 -0.445 30 20 DBED CC(=O)NCC(=O)NC[C@H](O)CNc1ccc(C#N)c(C)n1 1105712229 WOEQSHUMPRCJIE-GFCCVEGCSA-N 305.338 -0.713 30 20 DBED Cc1cc(C(=O)NC[C@@H](O)CNc2cnc(C#N)cn2)n[nH]1 1105725280 IVIYJGGZCPEDMV-JTQLQIEISA-N 301.310 -0.417 30 20 DBED Cc1nnc(CC(=O)NC[C@@H](O)CNc2ccc(C#N)nc2)o1 1105816215 SSHCJQCOGYWBJP-LBPRGKRZSA-N 316.321 -0.224 30 20 DBED CC(C)N(C)CC(=O)NC[C@H](O)CNc1cnc(C#N)cn1 1105869029 KMQGDTZBNQGFSO-GFCCVEGCSA-N 306.370 -0.423 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H](O)CNC(=O)CO[C@@H]1CCOC1 1105972830 QMUPETAPWIBMGD-QWHCGFSZSA-N 320.349 -0.930 30 20 DBED Cc1nn[nH]c1C(=O)NC[C@H](O)CNc1ncc(C#N)cc1F 1106035654 JTBDUBOSFHCDOU-SECBINFHSA-N 319.300 -0.278 30 20 DBED C[C@@H]1[C@H](C(=O)NC[C@@H](O)CNc2cnc(C#N)cn2)CCN1C 1106152884 JXRNLURUJWYGPC-KGYLQXTDSA-N 318.381 -0.423 30 20 DBED C#CCNC[C@@H]1CN(C(=O)[C@H](CCC)S(N)(=O)=O)C[C@H]1C 1106477186 HTHRGFIHCHAIPF-UPJWGTAASA-N 315.439 -0.239 30 20 DBED COCCN1CC(n2cc(CNC(=O)C#CC3CC3)nn2)C1 1107169405 GMQKUDKOZNZFOU-UHFFFAOYSA-N 303.366 -0.189 30 20 DBED C=CCN1CC(n2cc(CNC(=O)C[C@@H](C)NC(N)=O)nn2)C1 1107172844 OKEXJAVTDWBHLI-SNVBAGLBSA-N 321.385 -0.616 30 20 DBED C[C@H](CNc1nccnc1C#N)NC(=O)c1nnc(O)nc1O 1108208504 JLRDOCNQHHQZRP-ZCFIWIBFSA-N 316.281 -0.825 30 20 DBED Cn1ncnc1COCC(=O)N1C[C@H]2C[C@@H](NCC#N)C[C@H]1C2 1108789136 FKLRYZCBHOQECM-YNEHKIRRSA-N 318.381 -0.176 30 20 DBED Cc1cc(C#N)nc(N(C)C[C@@H](C)NC(=O)C2(C(N)=O)CC2)n1 1109217277 NKWNYPXJXIUGFV-SNVBAGLBSA-N 316.365 -0.137 30 20 DBED C[C@H](CN(C)c1ccnc(C#N)n1)NC(=O)[C@H]1C[C@H]1C(N)=O 1109241914 AWPXQXYYSKUZPE-BBBLOLIVSA-N 302.338 -0.589 30 20 DBED CC(=O)NC(C)(C)C(=O)N(C)CCCN=c1cc[nH]c(C#N)n1 1109480658 WQWZRPUPROWAAR-UHFFFAOYSA-N 318.381 -0.055 30 20 DBED N#Cc1cncc(NC[C@H](NC(=O)[C@@H]2CCNC2=O)C2CC2)n1 1109946371 RHGXNYCCXFZOTK-NEPJUHHUSA-N 314.349 -0.209 30 20 DBED CCC(=O)NCC(=O)NCC1(N=c2cc[nH]cc2C#N)CC1 1110086434 AXKPUYLYDRSOPC-UHFFFAOYSA-N 301.350 -0.038 30 20 DBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCCC(N)=O 1110198564 DIMRXFQKURBGEZ-AGIUHOORSA-N 322.409 -0.334 30 20 DBED CC[C@@H](OC)C(=O)N(C)[C@H]1CN(c2nccnc2C#N)C[C@@H]1O 1111178881 JUEGIKXOIZWSOU-RWMBFGLXSA-N 319.365 -0.219 30 20 DBED CN(CCCN(C)c1nccnc1C#N)C(=O)[C@H]1CCC(=O)N1 1112045291 MZPWDVHOEBSNLP-LLVKDONJSA-N 316.365 -0.088 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)[C@@H](C)NC(C)=O)CC1 1112603066 HACPYXGVHHPAIX-VXGBXAGGSA-N 310.398 -0.654 30 20 DBED COCCCC(=O)NC[C@@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1112705882 YUYWQZALJMALDE-YPMHNXCESA-N 319.365 -0.312 30 20 DBED C#CCNC(=O)CC(=O)N1CCN(Cc2cnc(C)nc2)CC1 1112778022 XLOLCRIDNKAHDJ-UHFFFAOYSA-N 315.377 -0.431 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)c2[nH]c(O)nc2C)CC1 1112991716 SZZZFNPMNDNQKZ-NSHDSACASA-N 321.381 -0.128 30 20 DBED CNC(=O)NCC(=O)N[C@H](C)[C@H](C)N=c1cc[nH]cc1C#N 1113349161 CLUZHNYHJRDYKG-VHSXEESVSA-N 304.354 -0.391 30 20 DBED COCCC[C@H](C)C(=O)N1CCN(CC(=O)NCC#N)CC1 1113507297 FURUDCPUEYRXHI-ZDUSSCGKSA-N 310.398 -0.167 30 20 DBED C[C@@H](CNC(=O)c1c[nH]c(=O)cn1)N(C)c1ccc(C#N)nn1 1113848795 FYNBVNCQAFAMHQ-VIFPVBQESA-N 313.321 -0.314 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)COCC=C)[C@@H]2C1 1114050373 BAQCCVHPKHKEDF-YNEHKIRRSA-N 307.394 -0.074 30 20 DBED CC(=O)NCCOCCN1C[C@@H]2C(NC(=O)C#CC3CC3)[C@H]2C1 1114255025 ATYRVCZVHPBTJT-GJZGRUSLSA-N 319.405 -0.401 30 20 DBED C#CCOCCC(=O)NC1[C@H]2CN(CC(=O)NC3CC3)C[C@H]12 1114265491 FUQXNAFWODPTDI-STQMWFEESA-N 305.378 -0.649 30 20 DBED C#CCOCCC(=O)N[C@H]1[C@@H]2CN(CC(=O)N[C@H](C)CC)C[C@@H]21 1114265978 KKVINCGJDYXTEV-WVZRYYJFSA-N 321.421 -0.013 30 20 DBED C#CCC1(C(=O)N[C@H]2[C@@H]3CN(Cc4nnn(C)n4)C[C@@H]32)CCC1 1114397220 JIKYYSBFTLKQRL-IMRBUKKESA-N 314.393 -0.050 30 20 DBED CNC(=O)CC(=O)NCC1[C@@H]2CN(c3nccnc3C#N)C[C@@H]12 1114531064 VURVVJNHTONWSH-QWRGUYRKSA-N 314.349 -0.717 30 20 DBED C[C@@H](CCCN=c1cc[nH]c(C#N)n1)NC(=O)Cn1nccn1 1115004470 NTLMGYAGEFHWQY-NSHDSACASA-N 314.353 -0.241 30 20 DBED CC#CCN1C[C@H]2C(NC(=O)CCC(=O)N3CCOCC3)[C@@H]2C1 1115209634 XSTHJIFJIOUEFU-ZIAGYGMSSA-N 319.405 -0.305 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)c3nonc3C)[C@H]2C1 1115346308 UMMHHSOTTVIKID-DCAQKATOSA-N 317.349 -0.824 30 20 DBED C[C@H](CN(C)C(=O)[C@H]1COCCN1C)Nc1nccnc1C#N 1115682668 URJRVXYNYJPIDM-DGCLKSJQSA-N 318.381 -0.062 30 20 DBED C#CCNC(=O)CC(=O)N(C)C[C@@H](C)N=c1cc[nH]cc1C#N 1115686068 XYVXCYRPOJZTDW-GFCCVEGCSA-N 313.361 -0.227 30 20 DBED CC(C)COC[C@H](O)CNC(=O)C(=O)Nc1cnn(CC#N)c1 1116331799 HJUGVQYYTVEEDJ-GFCCVEGCSA-N 323.353 -0.505 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CC[C@](O)(CC#N)C1 1118225329 DGYDVMKXCVHYRO-DVOMOZLQSA-N 321.377 -0.039 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1C[C@@H]2CN(C(C)=O)C[C@@H]2C1 1119556784 LEVVKMISCBJZOI-FRRDWIJNSA-N 309.366 -0.760 30 20 DBED C#CCNC1(CNC(=O)CN2CC(=O)N(C)C2=O)CCCCC1 1120005141 KLHUSBLGIGYVQX-UHFFFAOYSA-N 320.393 -0.078 30 20 DBED C[C@H](CN(C)C(=O)[C@@H]1CNC(=O)N1)Nc1cncc(C#N)n1 1120635096 RHORWYHRUMGSSO-SCZZXKLOSA-N 303.326 -0.712 30 20 DBED N#Cc1c[nH]ccc1=N[C@H](CO)CNC(=O)C1=COCCC1 1121199264 XLBBBNOWYSSMDR-ZDUSSCGKSA-N 302.334 -0.042 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@H](CO)Nc1nccnc1C#N 1121404520 GPGJKLZWUKOFOI-HZMBPMFUSA-N 305.338 -0.436 30 20 DBED CN(C[C@H](O)CNc1cnc(C#N)cn1)C(=O)c1cnn(C)c1 1124029860 JMJPSCMICJSWHP-GFCCVEGCSA-N 315.337 -0.373 30 20 DBED C=C[C@](C)(O)CC(=O)N(C)C[C@H](O)CNc1cnc(C#N)cn1 1124267722 XJUNPXCBORFYSO-DOMZBBRYSA-N 319.365 -0.093 30 20 DBED C#CCCCC(=O)NCCNCC(=O)N1CCC(C(N)=O)CC1 1126344214 PYHUMGCHXXJENU-UHFFFAOYSA-N 322.409 -0.780 30 20 DBED C#CCO[C@@H](C)C(=O)NCCN[C@H](C)C(=O)NC(=O)NC1CC1 1127051813 NEEOXKGZFOIARR-MNOVXSKESA-N 324.381 -0.893 30 20 DBED C#CCNCc1nnc2n1CC[C@@H](NC(=O)[C@@H](C)C#N)CC2 1127964700 NRNFVTPXMLKKFQ-RYUDHWBXSA-N 300.366 -0.018 30 20 DBED C#CCO[C@H](C)C(=O)NCc1cnn2c1CN(C[C@@H](C)O)CC2 1128363472 ZOXNEGUXYHXDQB-CHWSQXEVSA-N 320.393 -0.266 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)CCc2ccnn2C)C1=O 1128469737 XTCBLFCZSIUTMJ-AWEZNQCLSA-N 319.409 -0.155 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)c2ccc(=O)n(C)c2)C1=O 1130763917 KBUKXFAHGPHMML-CYBMUJFWSA-N 318.377 -0.508 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)COC)C[C@H]1c1cncn1C 1130882656 KYKFAMLKZUVNAY-ZIAGYGMSSA-N 320.393 -0.400 30 20 DBED C#CCOCCC(=O)N1C[C@H]2C[C@@H]3CN(C[C@H](C)O)C[C@]2(C1)O3 1131227432 OPSXBWPVFOHLIR-KLZNWCGWSA-N 322.405 -0.291 30 20 DBED N#Cc1ccc(F)c(CNCCNC(=O)[C@@H]2CNC(=O)N2)c1 1133111518 FOAZMILKZLVGHR-LBPRGKRZSA-N 305.313 -0.415 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NCCNCc1cn(C)nn1 1134816262 AOGRNACZAGRMDP-ZDUSSCGKSA-N 308.386 -0.508 30 20 DBED N#CCNC(=O)CNCCNC(=O)CCC(=O)NC1CCCC1 1135712537 ZTBMXMYLSCVBBS-UHFFFAOYSA-N 323.397 -0.829 30 20 DBED CNC(=O)NC(=O)CN1CCC2(C1)CN(C(=O)[C@@H](C)C#N)C2 1147224995 FGSWERZJUSLHMG-JTQLQIEISA-N 307.354 -0.864 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)C[C@@H]1CCCCC(=O)N1 1149111986 IGFCIHXDAQVBTQ-OLZOCXBDSA-N 322.409 -0.721 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(CC(=O)NCC#C)CCCO1 1149641102 YEJRBKOKJWOUJP-HNNXBMFYSA-N 319.405 -0.254 30 20 DBED N#Cc1ccc(F)c(CNCCCNC(=O)CNC(N)=O)c1 1154457676 MMGOQNNJGZHHIZ-UHFFFAOYSA-N 307.329 -0.038 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)[C@H]1CC(=O)N(CC)C1 1159275649 FNEOFULDQFGAPE-STQMWFEESA-N 322.409 -0.911 30 20 DBED N#CCN1CC=C(CCNC(=O)Cn2cnc(C(N)=O)n2)CC1 1160169129 JWLPXAOXVVEPGB-UHFFFAOYSA-N 317.353 -0.961 30 20 DBED COc1cccc(C(=O)NCCCNCC(=O)NCC#N)n1 1169941208 ORIJOHOFUXMHSG-UHFFFAOYSA-N 305.338 -0.561 30 20 DBED N#CCN1CCO[C@H]2CCN(C(=O)CCCCNC(N)=O)C[C@@H]21 1177042485 PUPOVWCDMCZXIY-STQMWFEESA-N 323.397 -0.350 30 20 DBED C#CCCN[C@H]1CCN(C(=O)CC[C@H]2NC(=O)NC2=O)[C@H]1C 1180083323 CUQRTPRPNWZCHN-SDDRHHMPSA-N 306.366 -0.423 30 20 DBED C#CCNC[C@]1(C)CN(C(=O)CCCS(N)(=O)=O)C[C@H]1C 1182421497 KHUKJVWQMZUDFG-TZMCWYRMSA-N 315.439 -0.238 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3cccn3C)[C@@H]2C1 1186855046 XFHNEHINOZLUTL-DZGCQCFKSA-N 314.389 -0.079 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)CC2(O)CCC2)C1 1190013307 BWBPFOPPJSIKAH-ZDUSSCGKSA-N 307.394 -0.426 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@@H](N(C)CCN2CCNC2=O)C1 1190106429 TZENLWIYALBLFY-UONOGXRCSA-N 322.409 -0.417 30 20 DBED CCC[C@@H](C)NC(=O)CN1C[C@@H](O)[C@H](NC(=O)C#CC2CC2)C1 1192827133 QCOBJRFILZFLKA-BPLDGKMQSA-N 321.421 -0.134 30 20 DBED C=CCCN(C)[C@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 1194060570 MPUUYUKCNAZGPS-RYUDHWBXSA-N 301.412 -0.213 30 20 DBED C#CCNC(=O)[C@H](C)N1CCCN(C(=O)Cc2ccon2)CC1 1195372641 HSKWWSWJJKFWSZ-ZDUSSCGKSA-N 318.377 -0.111 30 20 DBED COCC1(C(=O)N2CCCN(CC(=O)NCC#N)CC2)CCC1 1196564188 BTSNPNQVBZLAIP-UHFFFAOYSA-N 322.409 -0.023 30 20 DBED C=CCCCN1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(C(N)=O)c2)C1 1198681378 ZOEVKAPEDVYQPP-CHWSQXEVSA-N 306.366 -0.145 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)[C@@H]2C[C@H]2C(=O)OC)CC1 1199666793 BPMBUFVSRYAZGR-CHWSQXEVSA-N 321.377 -0.875 30 20 DBED CC#CCNC1CCN(C(=O)[C@@H]2Cc3cncn3C(=O)N2)CC1 1201752183 XAJHUDBSONLJGJ-AWEZNQCLSA-N 315.377 -0.031 30 20 DBED CC(=O)N(C)CCCC(=O)N1CCCO[C@H](CNCC#N)C1 1201959624 WOTKTALHSHNCSZ-CQSZACIVSA-N 310.398 -0.024 30 20 DBED COCC#CCNC[C@H]1CN(C(=O)Cn2ccnc2)CCCO1 1202216942 LAFJLECKROPTAU-HNNXBMFYSA-N 320.393 -0.260 30 20 DBED CS(=O)(=O)CCN[C@H]1CCCN(C(=O)CSCC#N)C1 1207410936 XQIAAZVSYUNJGF-NSHDSACASA-N 319.452 -0.132 30 20 DBED COCC#CCN1C[C@@H](NC(=O)c2cc(=O)n(C)cn2)[C@H](C)C1 1207592053 RWPXDSGJXXTCQU-TZMCWYRMSA-N 318.377 -0.520 30 20 DBED N#CCNC(=O)CN[C@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1 1207866835 RDVFUJVGTCSXFS-LBPRGKRZSA-N 314.349 -0.280 30 20 DBED CNC(=O)C1(C(=O)N[C@@H]2CN(CC#CCOC)C[C@H]2C)CC1 1209457354 WYNFNEZFZJEYOK-CHWSQXEVSA-N 307.394 -0.401 30 20 DBED N#CCNC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 1209737764 YHFPFCHXEODFSH-DGAVXFQQSA-N 320.393 -0.226 30 20 DBED CC#CCN[C@@H]1CCCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)C1 1209941638 XAYJNXHNEJNZSP-LLVKDONJSA-N 320.349 -0.989 30 20 DBED C#CCCN[C@H]1CCCN(C(=O)c2cc(=O)n3[nH]cnc3n2)C1 1210661780 NVBKWZYZESAHBP-NSHDSACASA-N 314.349 -0.365 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1NC(=O)CCNC(=O)[C@@H]1CCCO1 1211466112 SDXUKEIPBJPWEP-UPJWGTAASA-N 308.382 -0.368 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)C[C@@H](C)CC)[C@H](OC)C1 1212183142 SWSVIMFFXQDIJM-BFHYXJOUSA-N 309.410 -0.013 30 20 DBED CCCCC(=O)N1CCO[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1217305733 IHGCIXMQLUYCCO-QWHCGFSZSA-N 308.382 -0.272 30 20 DBED CC(C)C#CC(=O)N1CCO[C@@H]2CN(CC(=O)NC3CC3)C[C@@H]21 1217843839 JPOPNTYHXZYNTQ-LSDHHAIUSA-N 319.405 -0.164 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)CCCC(C)=O)C1 1219180991 YOCZBZMTEYADOL-OLZOCXBDSA-N 311.382 -0.791 30 20 DBED CCCCn1nnnc1CN1C[C@H](O)[C@H](NC(=O)[C@H](C)C#N)C1 1219381541 VSIQIAXZFWOVIT-UTUOFQBUSA-N 321.385 -0.706 30 20 DBED CC(C)CNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)C#CC2CC2)C1 1219596105 FXQGDZOHEGIHLY-YUELXQCFSA-N 321.421 -0.278 30 20 DBED C=CCC[C@@H](C)N1C[C@H](O)[C@H](NC(=O)c2cc(=O)n(C)cn2)C1 1219822127 FEZYNJSXLIGPEP-BNOWGMLFSA-N 320.393 -0.090 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)COCc2ccnc(OC)c2)C1 1219871673 CEPAOBYIYXVITN-KGLIPLIRSA-N 319.361 -0.599 30 20 DBED C=CCNC(=O)NC(=O)CN1CC[C@@H]2CN(C(=O)COC)[C@@H]2C1 1221202981 ZSNVMPHJZFVHFA-VXGBXAGGSA-N 324.381 -0.823 30 20 DBED COCC#CCN1CCC(CNC(=O)c2cn(C)nn2)CC1 1223051133 HFHGPHWOYFSGIF-UHFFFAOYSA-N 305.382 -0.093 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)CC(=O)NCC)CC1 1226994352 TUZSQPONVGRIQE-UHFFFAOYSA-N 310.398 -0.605 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)c1cc(C)no1 1230738599 HSYILBFCHKZKIQ-LBPRGKRZSA-N 304.350 -0.121 30 20 DBED C#CCSCCNC(=O)C(=O)N1CCC[C@H]1c1nncn1C 1261093066 ZCIDVVLGMFQKOF-NSHDSACASA-N 321.406 -0.039 30 20 DBED N#CCNC(=O)CNC(=O)NCc1ccc(-n2ccnc2)nc1 1261095561 PQXUVGHAPLPSCP-UHFFFAOYSA-N 313.321 -0.294 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CCO[C@@H](COC(C)C)C1 1261154351 JDIYPICZVVXXHX-CHWSQXEVSA-N 314.382 -0.044 30 20 DBED Cc1nc2ccc(NC(=O)C(=O)N3CCO[C@H](C#N)C3)cn2n1 1261202715 ZRUZPUGNLFIUBK-LLVKDONJSA-N 314.305 -0.273 30 20 DBED N#Cc1ccc(CNC(=O)C(=O)NCC(=O)N2CCCC2)cc1 1322161061 YMQWBGRNKWXQFK-UHFFFAOYSA-N 314.345 -0.087 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N[C@H]1CCc2nc(C)nn2C1 1322413212 CNNZFZRFDLGEGI-QWRGUYRKSA-N 307.354 -0.665 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)C(=O)N2CC[C@@H]3OCC[C@@H]3C2)C1 1327042960 NGCVLNOPCAJMHU-TYNCELHUSA-N 307.350 -0.499 30 20 DBED C#CCNC(=O)C1CCN(C(=O)C(=O)NC[C@@H](C)OC)CC1 1327409226 RNLPIHHBXZNOLA-LLVKDONJSA-N 309.366 -0.875 30 20 DBED C=CCN(C(=O)C(=O)NC[C@@H](C)S(C)(=O)=O)[C@@H](C)COC 1328008538 ONINBLAAZHCFLL-WDEREUQCSA-N 320.411 -0.415 30 20 DBED COCCN(C)CCNC(=O)C(=O)N1CCC[C@H](CC#N)C1 1328329202 JTUQBPCWVXGWLO-CYBMUJFWSA-N 310.398 -0.167 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)CCO1 1328386039 VNYMGEBMTPCMFG-ZIAGYGMSSA-N 320.393 -0.176 30 20 DBED COC(=O)Cn1ncc2c(=O)n(CCOCCC#N)cnc21 1330311234 WRXSXWUSEBDPLD-UHFFFAOYSA-N 305.294 -0.304 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@@H]1CCN(C(C)=O)C1)[C@@H]1CCCO1 1331076956 HNTMKXYQDDMRGX-AGIUHOORSA-N 307.350 -0.980 30 20 DBED CCn1cc(NC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)ccc1=O 1332174976 WWTLIUDEPKAQHB-HNNXBMFYSA-N 318.333 -0.316 30 20 DBED C#CC1CCN(C(=O)C(=O)N[C@H]2CC(=O)N(C3CC3)C2)CC1 1332226110 ZDFWHIBKCOTUAK-LBPRGKRZSA-N 303.362 -0.262 30 20 DBED O=C1C=CC=N/C1=C(\O)NCCC(=O)N1C[C@@H]2CC[C@H](C1)N2 1332993430 LQDMLYGMYINOLN-SAMXCDQMSA-N 304.350 -0.134 30 20 DBED C[C@H](O)C[C@@H]1COCCN1C(=O)C(=O)N1CCC[C@@H](C#N)C1 1334983591 MISXCQJZHWHJLH-RWMBFGLXSA-N 309.366 -0.253 30 20 DBED C=CCn1c(CCOC)nnc1N(C)CC(=O)N1CCOCC1 1338896449 UBWZYFWSXFYWLV-UHFFFAOYSA-N 323.397 -0.052 30 20 DBED CS(=O)(=O)NCCC(=O)OCCOC1(C#N)CCOCC1 1343433250 RUWWEPNARRMRBV-UHFFFAOYSA-N 320.367 -0.442 30 20 DBED CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)[C@@H](C)C1 1345711177 FJABJCITXYYVPS-WCFLWFBJSA-N 306.366 -0.126 30 20 DBED C=CCOCCNC(=O)C(=O)N1CCC[C@@H](n2ccnn2)C1 1346728719 YNIQZJHLFXMHSO-GFCCVEGCSA-N 307.354 -0.240 30 20 DBED O=C(C#Cc1ccccc1)NCCc1nnc2n1CCNC2=O 1347318355 XPOHYICWTODKAK-UHFFFAOYSA-N 309.329 -0.268 30 20 DBED C#CC1CCN(c2nnnn2CC(=O)N2CCOCC2)CC1 1355557304 XTXYBTILPOANIE-UHFFFAOYSA-N 304.354 -0.619 30 20 DBED N#Cc1cccc(OCC(=O)NC[C@@H](O)Cn2ccnn2)c1 1363009611 WYTFBXQJVIHIAN-GFCCVEGCSA-N 301.306 -0.294 30 20 DBED N#Cc1ncn(CC(=O)N[C@H]2CCN(C3CCOCC3)C2=O)n1 1364354756 DAISKOKTBHUWSX-NSHDSACASA-N 318.337 -0.954 30 20 DBED CCC[C@@H](CNC(=O)NCCn1cc(C#N)c(O)nc1=O)OC 1365170394 CJLYOUQLIBYTLU-NSHDSACASA-N 323.353 -0.065 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](NC(=O)CCS(C)(=O)=O)C1 1372284637 ZGDKGKJZSRHJEN-VHSXEESVSA-N 301.368 -0.702 30 20 DBED C=C(Cl)CN[C@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)C1CC1 1389677454 RZMDHTHTXSVBMB-VHSXEESVSA-N 314.773 -0.179 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CCN(C(=O)c2cn(C)c(=O)n2C)C1 1396941693 GJCQNNPUAQTALU-ZJUUUORDSA-N 305.338 -0.786 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)[C@H](C)CS(C)(=O)=O)CC1 1410800509 AXMNFNWZSFABFW-VHSXEESVSA-N 315.395 -0.408 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)c2ccn3nnnc3c2)CC1 1417182635 RQRUAMKAGSITMW-VIFPVBQESA-N 313.321 -0.337 30 20 DBED CN(CCC#N)S(=O)(=O)NCCC(C)(C)S(C)(=O)=O 1434577299 FYHBGFWBCXBKAA-UHFFFAOYSA-N 311.429 -0.120 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@](C)(NC(=O)C2(NC(N)=O)CC2)C1 1453853948 JAUYMQSFPVERSV-NOZJJQNGSA-N 307.354 -0.546 30 20 DBED C[C@H](C#N)C(=O)N(C)CCNC(=O)C(C)(C)S(C)(=O)=O 1455482829 YAJWVOFFNIFGJB-SECBINFHSA-N 303.384 -0.456 30 20 DBED COC(=O)CNC(=O)[C@@H]1CCCN1c1cc(C#N)nc(C)n1 1472812112 ZDHFLXVUUIBDFG-NSHDSACASA-N 303.322 -0.085 30 20 DBED CCN(CCNC(=O)CNC(=O)N1CCCC1)C(=O)[C@H](C)C#N 1496748050 ROKMULULJITSGR-GFCCVEGCSA-N 323.397 -0.084 30 20 DBED CC(=O)NCC(=O)NC[C@H](O)CNCc1cc(C#N)ccc1F 1496931981 JABIMFKNFVHKGA-CYBMUJFWSA-N 322.340 -0.600 30 20 DBED COCCNC(=O)[C@@H](C#N)C(=O)CC1(CS(C)(=O)=O)CC1 1523852732 PPKJCASCHKJHBF-JTQLQIEISA-N 316.379 -0.327 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)c2ncccc2O)C1 1566763721 UBSKQKDWSUZKGT-NSHDSACASA-N 304.350 -0.107 30 20 DBED C#CC[C@H](COC)NC(=O)C(=O)N1CC[C@@H](C(=O)O)[C@H](C)C1 1588389607 XSBQBVKBYWJWMF-IJLUTSLNSA-N 310.350 -0.290 30 20 DBED C#CCN(CC(=O)O)c1nnc(CO)n1C[C@@H]1CCCCO1 1588427441 XWRVVABJJZCQKS-NSHDSACASA-N 308.338 -0.136 30 20 DBED C#CCN(C1CCN(C)CC1)S(=O)(=O)N(C)CCC(=O)O 1588463967 RYXJCZIYAZBSMB-UHFFFAOYSA-N 317.411 -0.333 30 20 DBED C=C(C)C[C@@H](NS(=O)(=O)N(C)CCC(=O)OC)C(=O)O 1588555362 GUDIJICOZNZRBG-SECBINFHSA-N 308.356 -0.265 30 20 DBED N#CCN1CCC(NC(=O)c2cc(-c3nn[nH]n3)ccn2)CC1 1592677912 LWFNVVBDNZZEKV-UHFFFAOYSA-N 312.337 -0.021 30 20 DBED N#Cc1nc(N2C[C@H]3COC[C@@H](C2)O3)cnc1-c1nn[nH]n1 1592704286 AUHGGQBTKHCPPX-OCAPTIKFSA-N 300.282 -0.868 30 20 DBED COC[C@]1(C(=O)O)CN(C(=O)[C@]2(C#N)CCCOC2)CCO1 1593974448 MLPJOKYEAWEXAL-KBPBESRZSA-N 312.322 -0.365 30 20 DBED C#CCN(CC(=O)O)C(=O)[C@H](O)[C@@H](O)c1nc2ccccc2[nH]1 1602679847 XJJRDXGPQCUQIX-CHWSQXEVSA-N 317.301 -0.496 30 20 DBED C#CC[C@H](NC(=O)Cc1ccc(S(=O)(=O)NC)cc1)C(=O)O 1602687107 IIBHPWXZJIENKN-LBPRGKRZSA-N 324.358 -0.270 30 20 DBED C=CC[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](O)C[C@H](C(=O)O)C2)C1 1602855540 TWSFDCXWSYWSKJ-WOPDTQHZSA-N 310.350 -0.295 30 20 DBED N#CCN1CCN(S(=O)(=O)c2cc(C(=O)O)no2)CC1 1608187677 AYSSYYRKTVIKKB-UHFFFAOYSA-N 300.296 -0.797 30 20 DBED N#CCCN1CCN(CC(=O)N2CCC3(CC2)OCCO3)CC1 1646128415 YPZQKKPSONJWRO-UHFFFAOYSA-N 322.409 -0.117 30 20 DBED Cc1ocnc1C(=O)N1CCC[C@@H]1CNCC(=O)NCC#N 1714332857 KOFDZNFXQDVJBW-LLVKDONJSA-N 305.338 -0.183 30 20 DBED Cc1n[nH]c(C)c1CC(=O)NCCCN(C)CC(=O)NCC#N 1752112818 WJHQGYJJNBWNOW-UHFFFAOYSA-N 320.397 -0.353 30 20 DBED CNC(=O)[C@@H](C)N1CCN(CCCNC(=O)C#CC(C)C)CC1 1752342856 FQYBQQQXLSYRCU-OAHLLOKOSA-N 322.453 -0.096 30 20 DBED C=CCOCC(=O)NC[C@H](N[C@H]1CCC(=O)NC1=O)C1CC1 1752447542 AWTOBGVOTWVZPR-RYUDHWBXSA-N 309.366 -0.521 30 20 DBED COCC#CCN(C)CCNC(=O)c1ccn2nnnc2c1 1753059900 ZZPBWURPIXKEPQ-UHFFFAOYSA-N 302.338 -0.564 30 20 DBED C=CCNC(=O)[C@H](C)N1CC[C@H](CNC(=O)CNC(=O)CC)C1 1753124630 SBUUFZTYFRQEED-QWHCGFSZSA-N 324.425 -0.359 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@H](CNC(=O)Cc2cnoc2)C1 1753133566 XXPOJIHETVJKHB-QWHCGFSZSA-N 318.377 -0.207 30 20 DBED C#CCCNC[C@@H](O)CNC(=O)c1cccc(NC(N)=O)c1 1753935329 IZRUTHBRUZLEQL-CYBMUJFWSA-N 304.350 -0.119 30 20 DBED C#CCNC(=O)[C@H](C)NCC[C@@H](C)NC(=O)c1cccnn1 1754008763 PUVLWBBOBPOSFI-NEPJUHHUSA-N 303.366 -0.288 30 20 DBED Cc1cccnc1C(=O)NC/C=C/CNCC(=O)NCC#N 1754106977 IPNDYLVDUJTIHN-NSCUHMNNSA-N 301.350 -0.095 30 20 DBED C=CCOCCN(C)C[C@@H](C)NC(=O)C1CC(=O)NC(=O)C1 1754334966 DKBCLZSCHHAXOS-LLVKDONJSA-N 311.382 -0.322 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@H](NC(=O)c1cnon1)C1CC1 1754455172 NHUYVLQHXKOHBA-ONGXEEELSA-N 305.338 -0.695 30 20 DBED C=CCNC(=O)[C@@H](C)NC1(CNC(=O)c2cnn(C)c2N)CC1 1754511989 AJEQRGXLQFCHFD-SNVBAGLBSA-N 320.397 -0.455 30 20 DBED C=CCCOCC(=O)N[C@@]1(C)CCN(Cc2nnn(C)n2)C1 1754685203 GJDCUKLJUJZCDH-AWEZNQCLSA-N 308.386 -0.117 30 20 DBED C=CCNC(=O)CN1CC[C@@](O)(CNC(=O)[C@H](CC)OC)C1 1754745725 GRNXJPFHMUZVRQ-SWLSCSKDSA-N 313.398 -0.733 30 20 DBED C#CCNC(=O)CNC[C@H]1CN(C(=O)c2ccncn2)C[C@H]1C 1754824854 UTHSXOMTYRLSPA-OLZOCXBDSA-N 315.377 -0.476 30 20 DBED N#CCNC(=O)CNCC1CC(NC(=O)c2ccnnc2)C1 1755217301 CEQPOMCBOXJFPN-UHFFFAOYSA-N 302.338 -0.786 30 20 DBED COCC#CCN1C[C@@H](NC(=O)CCNC(N)=O)C(C)(C)C1 1755416207 PVYIQCWUWPGKNB-GFCCVEGCSA-N 310.398 -0.479 30 20 DBED C#CCN1CCC(C(=O)N[C@@H]2CC[C@@H](CNCC(N)=O)C2)CC1 1755749227 GNLKPFPVXHKUOZ-UKRRQHHQSA-N 320.437 -0.309 30 20 DBED CN(C[C@H](O)CNCC#N)C(=O)c1ccc2c(c1)OCC(=O)N2 1755782383 UNCGZHIYWOPZEK-LLVKDONJSA-N 318.333 -0.436 30 20 DBED CC#CCN(CCNC(=O)C[C@H]1CCC(=O)NC1)CCOC 1755839077 GCDSLCQSONAALQ-CQSZACIVSA-N 309.410 -0.009 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CN(C)C(=O)c1cnsn1 1756432579 HQXMYSHGULKZON-VIFPVBQESA-N 323.378 -0.746 30 20 DBED C#CCOCCC(=O)N(C)C[C@@H](C)NC(=O)c1cn(C)nn1 1756453580 QTLZLJNQHTZHJP-LLVKDONJSA-N 307.354 -0.568 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H](C)NC(=O)Cc1nc[nH]n1 1756499184 VZYHKYILOSPNFI-TUAOUCFPSA-N 321.381 -0.099 30 20 DBED C=C1CC(C)(C(=O)NC[C@H](CO)NC(=O)c2nnn(C)c2C)C1 1756548408 LVTIEPXPWBEBJZ-LLVKDONJSA-N 321.381 -0.313 30 20 DBED CC(=NNCCS(N)(=O)=O)c1cccc(OCC(=O)O)c1 1776047139 WUSKDYMDZIHDKE-UHFFFAOYSA-N 315.351 -0.248 30 20 DBED O=C(O)c1nn(C2CCOCC2)cc1C=NN[C@@H]1COC[C@H]1O 1776108940 MZYVGWQVGFAZFK-VXGBXAGGSA-N 324.337 -0.384 30 20 DBED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CCCOC3)C2)C1 1785502340 BTYBKZOXBZICRL-BBRMVZONSA-N 306.362 -0.124 30 20 DBED Cc1nnc(SCC(=O)N[C@](C)(C#N)C(C)C)n(N)c1=O 2637814 HUOAONKAUAUFNX-GFCCVEGCSA-N 310.383 -0.193 30 20 DBED C[C@@H](CNc1c(C#N)c(=O)n(C)c(=O)n1C)N1CCOCC1 25567979 VEMXLGSRWXRGRL-JTQLQIEISA-N 307.354 -0.912 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(CCC2OCCO2)c1=O 163546736 JBEMIUOHIVGCRT-UHFFFAOYSA-N 309.322 -0.693 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CC[C@H](CO)CC2)C1=O 270304537 OXOUODKXCGRLRL-XYPYZODXSA-N 323.349 -0.370 30 20 DBED C=CCCCCNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 274598077 GWZNYABIHJWWOJ-UHFFFAOYSA-N 319.365 -0.094 30 20 DBED N#Cc1cc(F)ccc1S(=O)(=O)N1C[C@H](O)C[C@H]1C(=O)O 275269129 JRRDKXHKYUKLAV-ZJUUUORDSA-N 314.294 -0.094 30 20 DBED C[C@H]1CN(C2CCOCC2)CCN1C(=O)Cn1cnc(C#N)n1 330313765 OWBQUKVGAOKZKH-LBPRGKRZSA-N 318.381 -0.139 30 20 DBED CC[C@@H]1CN(S(=O)(=O)N2CCO[C@H](C#N)C2)C[C@@H](C)O1 337074752 QYQDOSHRHKLHJR-IJLUTSLNSA-N 303.384 -0.045 30 20 DBED C[S@](=O)C1(CNS(=O)(=O)N2CCO[C@H](C#N)C2)CCC1 337206248 MCTWGANEPXQAOG-DGIBIBHMSA-N 321.424 -0.654 30 20 DBED CNS(=O)(=O)C1CCN([C@H](C)C(=O)N(C)CCC#N)CC1 339485651 VXHURGDQDAOYRA-LLVKDONJSA-N 316.427 -0.239 30 20 DBED C[C@H]1CN(CC#CCN2CC[S@](=O)[C@H](C)C2)CC[S@]1=O 341868592 HANVFQFEVMKYEF-GOFCXKROSA-N 316.492 -0.105 30 20 DBED CC(=O)N[C@H](CC1CCC1)C(=O)NCCn1cnc(C#N)n1 342876004 VTBGIWAPKNOKPO-GFCCVEGCSA-N 304.354 -0.039 30 20 DBED C[C@H](C(=O)NC1(C#N)CCC1)N1CC[C@@H](S(N)(=O)=O)C1 346410788 JKIRRQPYJFQTPI-NXEZZACHSA-N 300.384 -0.700 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1CCC[C@H](S(N)(=O)=O)C1 347528734 FQIILQNIWVZZHD-UWVGGRQHSA-N 318.399 -0.860 30 20 DBED Cn1nnnc1-c1cccc(S(=O)(=O)N(CC#N)CC#N)c1 351673919 KOGJTAXLVPFVDF-UHFFFAOYSA-N 317.334 -0.085 30 20 DBED CS(=O)(=O)N1CCN(C(=O)c2ccc(C#N)c(O)c2)CC1 408427681 QFYWMFAPLWRRFR-UHFFFAOYSA-N 309.347 -0.019 30 20 DBED C=CCn1cc(CNC(=O)c2cc(S(N)(=O)=O)cn2C)nn1 424921652 FVTRLRUWTNQTJO-UHFFFAOYSA-N 324.366 -0.620 30 20 DBED CN1C(=O)CC[C@H](NC(=O)C(=O)Nc2sccc2C#N)C1=O 425826686 PUKCFXRPDKGZOB-QMMMGPOBSA-N 320.330 -0.178 30 20 DBED C#CCN(CC#N)S(=O)(=O)c1cnc2nc(O)nc(O)c2c1 491013720 LFBWXHHIISLULH-UHFFFAOYSA-N 319.302 -0.417 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)CCn2cccn2)CC1 491210644 XABBSLHRDSZYFZ-UHFFFAOYSA-N 303.366 -0.833 30 20 DBED C#C[C@H](C)N(C)S(=O)(=O)c1cccc(S(N)(=O)=O)c1 491718910 XALPUDXRWOZVLU-VIFPVBQESA-N 302.377 -0.024 30 20 DBED C#CCNC(=O)CCN[C@@H]1CCN(c2cc(C)nn2C)C1=O 491785009 RPZVRVQCYZHLFM-GFCCVEGCSA-N 303.366 -0.437 30 20 DBED O=C(NCC#Cc1ccccc1)NCC(=O)N1CCNCC1 515004094 VPXDKFKYOIBKJF-UHFFFAOYSA-N 300.362 -0.231 30 20 DBED CN(C)C(=O)COC1CN(Cc2cnc3c(C#N)cnn3c2)C1 516468594 ZOSANZKQCCAXQW-UHFFFAOYSA-N 314.349 -0.110 30 20 DBED CN(CCC#N)S(=O)(=O)NC[C@](C)(CC(=O)O)C(=O)O 548595131 MGKAKAPHCDUHBI-JTQLQIEISA-N 307.328 -0.768 30 20 DBED Cc1cc(NC(=O)C(=O)N2CC(CC(N)=O)C2)ncc1C#N 580326645 KVRWSKIJKBFVSZ-UHFFFAOYSA-N 301.306 -0.466 30 20 DBED Cn1c(N[C@H]2CCN(CC(F)F)C2)c(C#N)c(=O)n(C)c1=O 580764380 KZBXRSPEMBRFQK-QMMMGPOBSA-N 313.308 -0.293 30 20 DBED CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)N1CCOC[C@@H]1C#N 590442163 ZJGMZBRUIXLFRR-CMPLNLGQSA-N 315.395 -0.156 30 20 DBED N#CCCN(Cc1ccccn1)C(=O)[C@@H]1CC(=O)NC(=O)N1 597147871 OBVGBAREGRQWOB-NSHDSACASA-N 301.306 -0.078 30 20 DBED N#CCCN1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@]3(N)C2)CC1 601583569 QRXXPUMZIJHZNQ-BBRMVZONSA-N 319.409 -0.616 30 20 DBED CS(=O)(=O)NC1CC(NS(=O)(=O)CCCCC#N)C1 619752039 WQYIMSZCLMIIHZ-UHFFFAOYSA-N 309.413 -0.320 30 20 DBED CC#CC[C@@H](CO)NC(=O)c1ccc(S(N)(=O)=O)s1 649188544 MPBIJJGTOGKEDA-QMMMGPOBSA-N 302.377 -0.100 30 20 DBED N#C[C@H]1COCCN1S(=O)(=O)C1CCS(=O)(=O)CC1 700158942 NLHMZFAWZYHMQY-VIFPVBQESA-N 308.381 -0.882 30 20 DBED C#CC[C@H](CO)NC(=O)C1CCN(S(=O)(=O)CC)CC1 717770098 OFDUIXWEQWXRDV-GFCCVEGCSA-N 302.396 -0.452 30 20 DBED N#Cc1ccc([C@@H](OC(=O)CN2CCOCC2)C(N)=O)cc1 778844423 VHDXTUJEMZWKQP-CQSZACIVSA-N 303.318 -0.040 30 20 DBED N#Cc1cnn2c(O)cc(COC(=O)c3nonc3N)nc12 783204351 PYJWBMJGKNUUPC-UHFFFAOYSA-N 301.222 -0.371 30 20 DBED C#CCNC(=S)N1CCC[C@H](N2CCCS2(=O)=O)C1 788341294 PPXFJPPDPMBLBM-NSHDSACASA-N 301.437 -0.006 30 20 DBED C=C(Br)CNC(=O)C(=O)NCCS(C)(=O)=O 788384125 HDBMCPSEFLWXQC-UHFFFAOYSA-N 313.173 -0.828 30 20 DBED CS(=O)(=O)NC(=O)CCNC(=O)c1ccc(C#N)c(O)c1 800549578 MXCGXVDPFKMGNM-UHFFFAOYSA-N 311.319 -0.540 30 20 DBED COC[C@@](C)(O)C(=O)N1CCN(c2ccc(C#N)nc2)CC1 801287287 QJTKULARRYMZTI-OAHLLOKOSA-N 304.350 -0.001 30 20 DBED C#CCNC(=S)NCCNc1ncccc1-c1nn[nH]n1 823849887 BKYUHDVNTNIMAW-UHFFFAOYSA-N 302.367 -0.229 30 20 DBED CC(=NNc1ncnc2[nH]cnc12)c1cn(CC(=O)O)nn1 825808821 FOGCBNKHYLOHHK-UHFFFAOYSA-N 301.270 -0.135 30 20 DBED COC(=O)c1cccn(CC(=O)NCC#CCN(C)C)c1=O 827972105 RCGDJHBDTCFWPR-UHFFFAOYSA-N 305.334 -0.684 30 20 DBED Cc1[nH]nc(S(=O)(=O)Nc2nn(C)cc2C#N)c1C(=O)O 832992116 XYYXVCCYOZPHLU-UHFFFAOYSA-N 310.295 -0.178 30 20 DBED N#CCN1CCN(S(=O)(=O)CC2(CC(=O)O)CC2)CC1 833066770 HJOCCIXWDWUDNU-UHFFFAOYSA-N 301.368 -0.288 30 20 DBED N#Cc1cccc([C@@H](C(=O)O)N2CC[C@]3(C2)NC(=O)NC3=O)c1 833074511 ZLDICYTUZNUTCC-XHDPSFHLSA-N 314.301 -0.032 30 20 DBED CC1[C@H](C(=O)n2ncc(C#N)c2N)[C@H]1C(=O)n1ncc(C#N)c1N 857039145 ARKHQFHPOXDJAH-UWVGGRQHSA-N 324.304 -0.150 30 20 DBED CN1C(=O)CN(CN2CCN(c3ccc(C#N)nc3)CC2)C1=O 872792788 ABYDTSGGXREHMQ-UHFFFAOYSA-N 314.349 -0.073 30 20 DBED N#C[C@@H]1CNC[C@@H]1NC(=O)[C@@H]1CNC(=O)C[C@H]1C(F)(F)F 876803226 VOWRKNQGHMVTJF-BGZDPUMWSA-N 304.272 -0.471 30 20 DBED C#CC1(O)CN(C(=O)N[C@@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)C1 893330522 YZQFHCLLKITPIG-ZYHUDNBSSA-N 317.349 -0.697 30 20 DBED C#CC[C@@H](CO)NS(=O)(=O)c1n[nH]c(C)c1C(=O)OC 912556203 JBIWDFIRIVDNNS-QMMMGPOBSA-N 301.324 -0.833 30 20 DBED C#CCN1CCC[C@H](NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 923566135 KPZQROVNHMWAFV-LBPRGKRZSA-N 318.333 -0.030 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)c3nnn(C)n3)C2)cc1 942199910 QRQXECPEYKRLML-CYBMUJFWSA-N 324.344 -0.164 30 20 DBED C=CCN1CC[C@H](NC(=O)CN2C(=O)CN(C)C2=O)[C@@H](C)C1 944787135 BGENRODMOULRLO-RYUDHWBXSA-N 308.382 -0.107 30 20 DBED C#CCN1CC[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C[C@H]1C 947369232 IOMLSSHKDMTMER-OLZOCXBDSA-N 318.377 -0.851 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CNC(=O)[C@@H]2COCCO2)CC1 949387306 KCPXAWBDNVGGJG-AAEUAGOBSA-N 309.366 -0.084 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H](NC(=O)c2cc(C(N)=O)c[nH]2)C1 951868478 TUQSEFQICUEPPI-GXSJLCMTSA-N 317.349 -0.006 30 20 DBED CC(=O)N1CCO[C@H](C(=O)N(C)C2CN(C(=O)[C@@H](C)C#N)C2)C1 955010232 VANWCHNEIADNMX-GWCFXTLKSA-N 322.365 -0.937 30 20 DBED C=CCN1CC[C@H](N2C[C@H]3C(NC(=O)c4cc[nH]n4)[C@@H]3C2)C1=O 958298121 PKTVJWAHXWPRHE-WZRBSPASSA-N 315.377 -0.143 30 20 DBED Cc1nn2cccnc2c1C(=O)NC[C@H]1CN(CC#N)C[C@@H]1O 958693881 HZOYDRIWRNFOAR-RYUDHWBXSA-N 314.349 -0.416 30 20 DBED Cn1[nH]c(CNC[C@@H]2CCCCN2C(=O)C#CC2CC2)nc1=O 960003326 LLPSKCKTEOUYKW-ZDUSSCGKSA-N 317.393 -0.008 30 20 DBED C#CCN1C[C@@H]2C(NC(=O)c3ccccc3OCC(N)=O)[C@H]2C1 960928182 HAKNWCKMFFIFGB-STQMWFEESA-N 313.357 -0.156 30 20 DBED Cc1nonc1C(=O)N1CCOC2(C1)CN(C(=O)[C@@H](C)C#N)C2 965409186 GLWSFPLYJPLVFC-VIFPVBQESA-N 319.321 -0.409 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(C[C@@H](NC(=O)Cc3cc[nH]n3)CO2)C1 965663770 UGHSSBTXOSTTTL-CMPLNLGQSA-N 317.349 -0.402 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(C[C@@H](NC(=O)c3csnn3)CO2)C1 965746871 BVSGAIPJPBYUSO-DTWKUNHWSA-N 321.362 -0.203 30 20 DBED N#Cc1c[nH]c(C(=O)N2[C@H]3CC[C@H]2CN(C(=O)CC(N)=O)C3)c1 968776076 LJUBHBMVZZZLIL-QWRGUYRKSA-N 315.333 -0.423 30 20 DBED CC(C)n1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)nn1 970232578 QDJSHQGWUKUKAJ-UMNHJUIQSA-N 320.353 -0.680 30 20 DBED Cc1nn(C)c(=O)c(C(=O)N[C@H](C)C2CN(CC#N)C2)c1C 970250054 HLAOUVBWJARPCL-LLVKDONJSA-N 303.366 -0.029 30 20 DBED C=CCN1CCO[C@@]2(CCN(C(=O)[C@@H]3CN(C)CCO3)C2)C1 972316852 PKYFQEIWRHKHJQ-HOCLYGCPSA-N 309.410 -0.194 30 20 DBED N#CCN1CCO[C@@]2(CCN(C(=O)[C@H]3CCC(=O)NC3)C2)C1 972444939 XKJPJYIIIXNXJR-WFASDCNBSA-N 306.366 -0.661 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)c3cnn(C)n3)C2)nc1 973452167 FYBZUWBKLXEUQY-HAQNSBGRSA-N 324.344 -0.118 30 20 DBED C#CCN1CCCN(C(=O)c2ccc(-n3cnnn3)cn2)CC1 981682620 NHGFZCBTEMJNFQ-UHFFFAOYSA-N 311.349 -0.162 30 20 DBED C[C@H]1[C@H](NC(=O)CN2C(=O)CN(C)C2=O)CCCN1CC#N 994368025 VEMCSMZVQWAYOL-WDEREUQCSA-N 307.354 -0.627 30 20 DBED C#CCNC1CC(N(C)C(=O)[C@H]2CCc3nnc(O)n3C2)C1 999010618 KXGHPRPOMJNKTN-UNXYVOJBSA-N 303.366 -0.242 30 20 DBED C=CCNC1CC(N(C)C(=O)Cn2ncn3nccc3c2=O)C1 999498782 RQEVWRQEZCMEMA-UHFFFAOYSA-N 316.365 -0.344 30 20 DBED Cn1ncc(C(=O)NCC2CN(C(=O)C#CC3CC3)C2)c1N 1001525540 CLVVOWJYXZIXSB-UHFFFAOYSA-N 301.350 -0.396 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCCN(C(=O)[C@H]3COC(=O)N3)C2)C1 1010829251 CUMDDRMXQCFLFP-GHMZBOCLSA-N 320.349 -0.295 30 20 DBED C[C@H](C#N)C(=O)N1CCCC2(CN(C(=O)Cc3nc[nH]n3)C2)C1 1010876753 SHYHARZYEDYXJD-LLVKDONJSA-N 316.365 -0.042 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1[C@@H]2CN(C(=O)[C@H](C)OC)C[C@@H]12 1013316166 HPYQLTGRHRHSTE-DGAVXFQQSA-N 319.405 -0.308 30 20 DBED C#CCN1CCC(C(=O)N[C@H]2CCN([C@@H](CC)C(N)=O)C2)CC1 1016335884 HAJCIDVXGGGNGA-GJZGRUSLSA-N 320.437 -0.214 30 20 DBED C[C@@H]1CC[C@@H](NC(=O)C(N)=O)CN1C(=O)c1ccc(C#N)[nH]1 1018375020 ZKKBYIXZBVTJFP-PSASIEDQSA-N 303.322 -0.519 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)C2(C)CCOCC2)C1 1024676346 QDRAGEBYLIDRJM-IJLUTSLNSA-N 309.366 -0.349 30 20 DBED C=CCN[C@@H]1CC[C@@H]2CN(C(=O)CN3CCC(=O)NC3=O)C[C@H]21 1026399759 YCGRNYCEMNCNSK-JHJVBQTASA-N 320.393 -0.059 30 20 DBED O=C(Cn1cnnn1)NC1CN(CC#Cc2ccc(F)cc2)C1 1030091356 XQMIKWVGCOEUFD-UHFFFAOYSA-N 314.324 -0.336 30 20 DBED C=CCn1cc(C(=O)NC2CN([C@H](C)C(=O)N(C)C)C2)nn1 1031071447 TZERUHBXRCDWEG-SNVBAGLBSA-N 306.370 -0.645 30 20 DBED C=CCCN1CC(CNC(=O)c2c[nH]nc2S(N)(=O)=O)C1 1031966804 SOFCLSADKYAPIK-UHFFFAOYSA-N 313.383 -0.705 30 20 DBED CC#CCN1CCO[C@@H](CNC(=O)c2ccc(N(C)C)nn2)C1 1035579738 CHDUTQXGOOXVMN-ZDUSSCGKSA-N 317.393 -0.004 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@]1(O)CCN(C(=O)CSC)C1 1039576140 MBPAAVLNBOGALB-UONOGXRCSA-N 316.423 -0.244 30 20 DBED CCN(CC)CC(=O)NC[C@]1(O)CCN(C(=O)C#CC2CC2)C1 1039784501 DHKCHHZYXFYXDJ-QGZVFWFLSA-N 321.421 -0.179 30 20 DBED C=CCO[C@@H](C)C(=O)NC[C@@]1(O)CCN(C(=O)CCOC)C1 1040160672 HDPAJNFGLIEYTF-WFASDCNBSA-N 314.382 -0.306 30 20 DBED CC(C)C#CC(=O)N1CC[C@](O)(CNC(=O)CCN(C)C)C1 1040797139 BBGNBZDKIHHGNL-INIZCTEOSA-N 309.410 -0.323 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)CCn2cncn2)C1 1041506374 DTNBEBRZQVFWDZ-UHFFFAOYSA-N 307.354 -0.676 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1042981306 MSWLSRUWSALCNZ-NXEZZACHSA-N 311.338 -0.447 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)c2[nH]cnc2C)C1 1043040310 QKQAOMVOVYXXPS-UHFFFAOYSA-N 320.349 -0.939 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)[C@@H]2CN3CCC2CC3)C1 1043180622 RAYRNRWBFGULBI-WCQYABFASA-N 320.393 -0.823 30 20 DBED COCc1ccc(C(=O)NCC2(O)CN(C(=O)[C@@H](C)C#N)C2)o1 1043857958 DVINRCDNWHJGCT-JTQLQIEISA-N 321.333 -0.111 30 20 DBED N#Cc1nccc(N2C[C@H](O)[C@H](NC(=O)[C@@H]3CC3(F)F)C2)n1 1043927729 SAUWQLJPNHXZST-YIZRAAEISA-N 309.276 -0.331 30 20 DBED C#Cc1ccc(C(=O)N(C)C2CN(CC(=O)N(C)C)C2)cn1 1044205745 GQMIVIVPNDOBQN-UHFFFAOYSA-N 300.362 -0.093 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2[nH]nnc2C)C1 1044375118 OMNUZCKYPXTOPC-JTQLQIEISA-N 323.353 -0.993 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)[C@H]2C[C@@H](C)CO2)C1 1044564457 NXXQIBSFCMKCQT-VXGBXAGGSA-N 312.366 -0.697 30 20 DBED Cc1nn(CC(=O)N2CC[C@H](NCC#N)C[C@@H]2C)c(=O)n1C 1044835911 HSLFZIKDWQONOP-JQWIXIFHSA-N 306.370 -0.617 30 20 DBED C=CCN1CC[C@@H](NC[C@@H]2CCCN2C(=O)c2cnn[nH]2)C1=O 1045104066 FXBQURRGCOIGBM-NWDGAFQWSA-N 318.381 -0.214 30 20 DBED C=CCOCCCC(=O)N1CC(O)(CNC(=O)[C@H](C)C#N)C1 1045541206 RIEGRXGVHKZKBC-GFCCVEGCSA-N 309.366 -0.182 30 20 DBED CCN1CCCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@H](C)C#N)C1 1045560459 WFDRFMMVSUKGMD-OLZOCXBDSA-N 322.409 -0.290 30 20 DBED C=C1CC(C)(C(=O)NCC2(O)CN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 1046307855 ZTLLMWGEXBCHNO-NSHDSACASA-N 321.377 -0.689 30 20 DBED C=C[C@@H](CC)CC(=O)N1CC(O)(CNC(=O)Cn2cncn2)C1 1046875504 MNBSTIMDNUZYMO-LBPRGKRZSA-N 321.381 -0.430 30 20 DBED C=C[C@@](C)(O)CC(=O)N(C)[C@H]1CN(C(=O)[C@H](C)OC)C[C@@H]1O 1048757676 LXAXLWFAHQCZEM-JUFZMCDQSA-N 314.382 -0.622 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2CN([C@H](C)C(N)=O)C[C@@H]2C1 1049068206 NAGIONVWVMBTQJ-RGDJUOJXSA-N 307.394 -0.159 30 20 DBED C#CCN1C[C@@H]2CCCN(C(=O)c3cn(C)c(=O)nc3O)[C@@H]2C1 1050200499 QLBLHLFYJWZOMH-WCQYABFASA-N 316.361 -0.345 30 20 DBED C#CCOCCC(=O)N1CC[C@H]([C@@H](C)NC(=O)c2cnn[nH]2)C1 1050721645 RGQNTVKTBQIRMJ-NEPJUHHUSA-N 319.365 -0.189 30 20 DBED C=CCN1CCN([C@@H]2CCN(C(=O)c3c[nH]c(=O)cn3)C2)CC1 1052071522 URVQRNDZKXODRL-CYBMUJFWSA-N 317.393 -0.212 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)C[C@@H]3CCN(C)C3=O)CO2)C1 1053841916 WGAKUJXEOUVFEK-UONOGXRCSA-N 319.405 -0.162 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)[C@@H]3CCn4cncc4C3)CO2)C1 1053851029 IZTGCTNLLVPYNZ-CHWSQXEVSA-N 315.377 -0.071 30 20 DBED C#CCOCCC(=O)NC[C@H]1CC[C@H](CNC(=O)C(N)=O)CC1 1054899350 JTKZBVWCXXNEEH-JOCQHMNTSA-N 323.393 -0.450 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@](CO)(NC(=O)CSCC#N)C1 1055786231 SSGZNUKOMLARKU-SMDDNHRTSA-N 324.406 -0.127 30 20 DBED CN1C(=O)CC[C@@H]1C(=O)N1CCN(c2ccnc(C#N)n2)CC1 1055988161 ROSMBKQNXCOSFV-LLVKDONJSA-N 314.349 -0.382 30 20 DBED C=C[C@@H](C)[C@@H](C)C(=O)NCCN(CCO)C(=O)Cn1cnnn1 1056932991 JWJMFZZCAQXPTR-VXGBXAGGSA-N 324.385 -0.932 30 20 DBED Cc1c(C(=O)N(CCO)CCNC(=O)[C@H](C)C#N)cnn1C 1056974963 LPIXCZYPCLKYRE-SNVBAGLBSA-N 307.354 -0.561 30 20 DBED C=CCO[C@H](C)C(=O)NCCN(CCO)C(=O)c1ccnn1C 1057153563 COJYGGOCPZJPNH-GFCCVEGCSA-N 324.381 -0.438 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)c1ccc(O)nn1 1057517564 WDEBMZFTGHMKFH-UHFFFAOYSA-N 320.349 -0.608 30 20 DBED C#CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)c1c[nH]nc1C 1057584224 HPVOLOGYXLGZOF-LBPRGKRZSA-N 322.365 -0.693 30 20 DBED CCn1ccc(CC(=O)N(CCO)CCNC(=O)[C@@H](C)C#N)n1 1057746303 FTWSWMULMHVNGW-LBPRGKRZSA-N 321.381 -0.458 30 20 DBED CCn1nncc1C(=O)N[C@@H]1CCN(c2cnc(C#N)cn2)C1 1058353926 SJNDIUMBDIPGTJ-SNVBAGLBSA-N 312.337 -0.032 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)[C@H]1CCCC(=O)N1C 1058363433 DNKNUUJJOJSVGU-NWDGAFQWSA-N 324.381 -0.906 30 20 DBED N#Cc1nccc(N2CC[C@H](NC(=O)C[C@@H]3CCNC3=O)C2)n1 1058465696 XIRFPXUMUPGKHM-QWRGUYRKSA-N 314.349 -0.431 30 20 DBED N#Cc1ccc(N2CC[C@@H](NC(=O)[C@@H]3CCCNC3=O)C2)nn1 1058467855 UUCMYNMUGQGHDR-VXGBXAGGSA-N 314.349 -0.431 30 20 DBED N#Cc1ccc(N2C[C@@H]3CC[C@H](C2)N3C(=O)Cn2ncnn2)cn1 1058778241 PQJXDAIFKNYSDF-OKILXGFUSA-N 324.348 -0.180 30 20 DBED CNC(=O)NCCC(=O)N1CC[C@H](CCNC(=O)[C@@H](C)C#N)C1 1059591889 WBXIOFYZTIFZNM-RYUDHWBXSA-N 323.397 -0.180 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](CCNC(=O)Cn2cncn2)C1 1060292675 WJDOFKYWYNBQMJ-NEPJUHHUSA-N 304.354 -0.207 30 20 DBED C=CC(C)(C)C(=O)NC[C@@H]1COCCN1C(=O)Cn1cncn1 1061755889 UFHFVLOWVZFLPI-GFCCVEGCSA-N 321.381 -0.166 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(NC(=O)c2nnn(C)n2)CCC1 1062870550 GYELIMMODYYERJ-ZDUSSCGKSA-N 322.369 -0.694 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(NC(=O)[C@H]2C[C@H]2C(N)=O)CCC1 1063042757 CSIYIBDSBVRJEW-TUAOUCFPSA-N 321.377 -0.699 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CN(C(=O)Cc2cncnc2)CCO1 1065095637 LXIRMYJGKOOHJE-AAEUAGOBSA-N 317.349 -0.478 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCO[C@@H](CNC(=O)COC)C1 1065277912 CJLBPRSXPMXGLG-RYUDHWBXSA-N 300.355 -0.433 30 20 DBED N#Cc1ccc(N2CCOC[C@H]2CNC(=O)[C@H]2CCCO2)nn1 1066458081 YECJYBJMQMQDJX-CHWSQXEVSA-N 317.349 -0.151 30 20 DBED C=CCO[C@H](C)C(=O)N(C)CCCN(C)C(=O)CNC(N)=O 1066776516 WXACBRPFXSLZNJ-LLVKDONJSA-N 314.386 -0.447 30 20 DBED C[C@H](C#N)C(=O)N(C)CCCN(C)C(=O)Cn1c(O)nnc1O 1067881661 OTFIYJUVYAYHAB-SECBINFHSA-N 324.341 -0.844 30 20 DBED C[C@H](C#N)C(=O)N(C)CCCN(C)C(=O)[C@@H]1CN(C)C(=O)N1 1067899699 XQQIEDUTMPSHJL-MNOVXSKESA-N 309.370 -0.523 30 20 DBED C[C@H](Nc1nccnc1C#N)[C@@H]1CN(C(=O)CC(N)=O)CCO1 1068227261 ILCREFGORYRQLY-ONGXEEELSA-N 318.337 -0.749 30 20 DBED C=C[C@](C)(CC)C(=O)N1CC2(C[C@@H](NC(=O)CC(N)=O)CO2)C1 1068785031 XPEZPSVBHGPYJT-IAQYHMDHSA-N 323.393 -0.050 30 20 DBED C#CCN1CCn2ncc(CNC(=O)[C@@H]3CC(=O)N(C)C3)c2C1 1069862477 QGUNSVFHUVMOBE-GFCCVEGCSA-N 315.377 -0.574 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCC[C@@H](NC(=O)Cn2cncn2)C1 1070673033 VWSAJFWNRFCCHA-IUODEOHRSA-N 321.381 -0.288 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CN(C(=O)C(C)(C)F)C[C@@H]1C 1071453501 WABZVJKEKWRFEV-QWRGUYRKSA-N 311.357 -0.163 30 20 DBED C#CCCN1C[C@H](NC(=O)CN2CCOCC2=O)CC[C@@H]1C 1071574873 QPJWWILLUAZHSS-UONOGXRCSA-N 307.394 -0.162 30 20 DBED C#CCOCCC(=O)N[C@H]1CN(C(=O)CNC(=O)CC)C[C@H]1C 1071822509 GUIFDIWUXGBXKU-OLZOCXBDSA-N 323.393 -0.484 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)CCn1cnnn1 1072040444 YKGPKIRIZYRZAA-DGCLKSJQSA-N 316.365 -0.560 30 20 DBED C#CCOCCC(=O)N1C[C@H](C)[C@H](NC(=O)CC(=O)N(C)C)C1 1072097629 OZGCVNSSROEEJD-QWHCGFSZSA-N 323.393 -0.532 30 20 DBED Cn1ccc(=O)c(C(=O)NC[C@H]2CN(CC#N)CCCO2)c1 1073691075 PKLVTNQXIVAHNV-LBPRGKRZSA-N 304.350 -0.270 30 20 DBED COc1cc(C(=O)N2CC[C@@H]3OCCN(CC#N)[C@H]3C2)nn1C 1074294807 SYPGUTKADACRPF-STQMWFEESA-N 319.365 -0.132 30 20 DBED C=CCOCC(=O)NCC[C@H](C)NC(=O)[C@H]1CC(=O)N(C)C1 1075921100 INVVXXRJZUAFCL-RYUDHWBXSA-N 311.382 -0.322 30 20 DBED Cn1ncc2c1C[C@H](C(=O)N[C@@H]1CN(CC#N)C[C@H]1O)CC2 1077573229 FULLMNLOMIVCRI-MPKXVKKWSA-N 303.366 -0.790 30 20 DBED COCC(=O)N(C)CC(=O)N[C@@H](C)CCNC(=O)[C@@H](C)C#N 1078134549 BXFIWYFAYDIYPN-QWRGUYRKSA-N 312.370 -0.738 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@H](CNC(=O)CN2CCCC2=O)C1 1081251408 NYEHGHMGNBHFTH-OLZOCXBDSA-N 323.393 -0.490 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)C(=O)NCC2CC2)C[C@H]1O 1081335741 PDCODHCFMLJVFV-QWHCGFSZSA-N 323.393 -0.586 30 20 DBED N#CCSCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cocn2)C1 1081341616 RYNQHANPTNEICH-KOLCDFICSA-N 324.362 -0.520 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2ccn(C)c2)C[C@H]1O 1081346369 HOBDMUOPYRJEDM-ZIAGYGMSSA-N 321.377 -0.223 30 20 DBED C#CCCCC(=O)N1C[C@H](CNC(=O)c2cncnc2)[C@@H](O)C1 1081424223 BSXQKUNKVKBWIG-KBPBESRZSA-N 316.361 -0.171 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)CCCN(C)C)C[C@@H]1O 1081465416 GWZZJUWCVQUTFG-GJZGRUSLSA-N 323.437 -0.077 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2ccn(C)n2)C1 1081496215 GYCVKLYEMUPEHW-TZMCWYRMSA-N 318.377 -0.371 30 20 DBED C=C(Cl)CN1C[C@@H](NC(=O)c2c[nH]c(=O)cn2)[C@H](OC)C1 1082074157 NNINNZSIDUIHAB-GHMZBOCLSA-N 312.757 -0.049 30 20 DBED C=CCCN1C[C@@H](NC(=O)Cn2c(O)nnc2O)[C@H](OC)C1 1082346506 LUMBZHZXRAZBBW-NXEZZACHSA-N 311.342 -0.919 30 20 DBED C=CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CC(=O)N(C)C1 1083098207 KFDLLDGPUIGZFK-HZSPNIEDSA-N 307.394 -0.048 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2ccc3c(c2)N(C)CCO3)C1 1083568089 GPLHXMBTTOBOLO-HIFRSBDPSA-N 315.373 -0.077 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2COCCN2CC2CCC2)C1 1083670480 BRUZNDLSXNQEGT-PMPSAXMXSA-N 323.437 -0.165 30 20 DBED C=CCCn1cc(C(=O)N[C@@H]2CN(C[C@@H](C)O)C[C@@H]2O)nn1 1083846541 FASSNAQEGBUDEW-WZRBSPASSA-N 309.370 -0.990 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@@]2(C)CCN(C(C)=O)C2)C1 1083929039 LFVHEMHRNRCYEN-YCPHGPKFSA-N 307.394 -0.571 30 20 DBED N#CCN[C@H]1C[C@H](CNC(=O)c2ccc(S(N)(=O)=O)o2)C1 1086417507 UAXITEVSENADPH-KYZUINATSA-N 312.351 -0.451 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2cccc3ncnn23)[C@@H](O)C1 1090401028 ZPXCILPNOQCYSB-JSGCOSHPSA-N 313.361 -0.082 30 20 DBED C=CCCN1CC[C@@H](NC(=O)c2ccn3nnnc3c2)[C@@H](O)C1 1090486626 OQRIFBVLRKVXSU-OLZOCXBDSA-N 316.365 -0.135 30 20 DBED CC(C)(C)n1cnc(C(=O)N[C@H]2CCN(CC#N)C[C@H]2O)n1 1090568294 DUPCXYJJROADEC-WDEREUQCSA-N 306.370 -0.278 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2c(C)nn(C)c2OC)[C@@H](O)C1 1090615820 KIPBUUPAXXKERC-STQMWFEESA-N 320.393 -0.075 30 20 DBED CC(=O)NCC[C@@H]1CN(c2cnc(C#N)cn2)CCS1(=O)=O 1091303860 XSURJEHGJQTCRS-GFCCVEGCSA-N 323.378 -0.522 30 20 DBED COCCC(=O)N[C@H]1CCN(c2nccnc2C#N)C[C@H]1O 1092131768 KIIZJIYKVPQCNF-CMPLNLGQSA-N 305.338 -0.559 30 20 DBED C#CCOCCC(=O)N[C@H]1CCN(c2nccnc2F)C[C@H]1O 1092163769 GWRVCOGYHFLUAF-NWDGAFQWSA-N 322.340 -0.289 30 20 DBED Cc1cc(C#N)nc(N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)CC(N)=O)n1 1092954669 DZHMNAGNOVXCEJ-UTUOFQBUSA-N 314.349 -0.242 30 20 DBED Cc1cc(C#N)nc(NCCNC(=O)[C@@H]2CCNC(=O)C2)n1 1093546589 IWAXAPFWDJAIOV-SNVBAGLBSA-N 302.338 -0.289 30 20 DBED CC(=O)N1CCC[C@H]1C(=O)NCCNc1cncc(C#N)n1 1093782879 NWBVLMFANOLFBY-LBPRGKRZSA-N 302.338 -0.113 30 20 DBED C#CCCN1CC(n2cc(CNC(=O)c3csnn3)nn2)C1 1094308227 KVMYMBDFTOXDPR-UHFFFAOYSA-N 317.378 -0.060 30 20 DBED CNC(=O)NCCC(=O)NCCCNc1ccc(C#N)nn1 1094393334 SDFCJCWJFHYUTI-UHFFFAOYSA-N 305.342 -0.414 30 20 DBED N#Cc1ccc(N2CCCN(C(=O)CNC(N)=O)CC2)nn1 1095163774 GUALBRWIOZUFNG-UHFFFAOYSA-N 303.326 -0.945 30 20 DBED CN1C[C@@H](C(=O)NCCCN(C)c2ccnc(C#N)n2)NC1=O 1095696617 HONLBSYPJXZKHC-JTQLQIEISA-N 317.353 -0.686 30 20 DBED C[C@H](NC(N)=O)C(=O)NC[C@H](Nc1ccc(C#N)nn1)C1CC1 1096656322 RAGRACOJYVWJLV-KWQFWETISA-N 317.353 -0.288 30 20 DBED C[C@@H](C#N)C(=O)N(C)CC(=O)N1CCN(c2ncccn2)CC1 1096909591 CXLORPDQASJBMG-LBPRGKRZSA-N 316.365 -0.257 30 20 DBED C[C@H](CNC(=O)[C@H]1CCS(=O)(=O)N1)Nc1ccc(C#N)cn1 1097874561 JCXOWPDSEAPRKZ-MWLCHTKSSA-N 323.378 -0.438 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H](C)N=c1cc[nH]c(C#N)n1 1098360009 SRTGHWZTLPXNMG-STQMWFEESA-N 312.377 -0.216 30 20 DBED C[C@@H](CCNC(=O)Cn1cnnn1)Nc1cnc(C#N)cn1 1098818312 ZASVCNKJJGRIBL-VIFPVBQESA-N 301.314 -0.658 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(Cc2nc(C)no2)C[C@H]1O 1099741053 NIYXSTVKXWIZIW-VXGBXAGGSA-N 310.354 -0.368 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CCN(Cc2ncnn2C)C[C@@H]1O 1099821159 QKKWWENVSGSLJA-OLZOCXBDSA-N 305.382 -0.474 30 20 DBED C#CCCN1CC[C@H](NC(=O)CNC(=O)c2ccoc2)[C@@H](O)C1 1099845354 VZAWXVZAPSNFRH-KBPBESRZSA-N 319.361 -0.416 30 20 DBED COCC#CCN1CC[C@H](NC(=O)Cc2[nH]cnc2C)[C@@H](O)C1 1100087465 MBKPKTYRSUYCOI-ZFWWWQNUSA-N 320.393 -0.538 30 20 DBED CCN(CCNC(=O)[C@@H]1CC[C@@H]1C(N)=O)c1cnc(C#N)cn1 1100695492 XBXZGQYQUHGAPU-NWDGAFQWSA-N 316.365 -0.198 30 20 DBED CNC(=O)CC(=O)NC[C@@H]1CCCN1c1cnc(C#N)cn1 1100815601 CYJSPLIVNKEWJE-NSHDSACASA-N 302.338 -0.431 30 20 DBED C=CCCN1C[C@@H]2CN(C(=O)CS(=O)(=O)NC)C[C@]2(C)C1 1101465507 KXXWSDOKSVUQKE-OCCSQVGLSA-N 315.439 -0.108 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1CNC(=O)C1=COCCO1 1101698863 XZEGTAVKCDDSLH-VXGBXAGGSA-N 322.365 -0.802 30 20 DBED CC#CCN1C[C@@H](C)[C@H](CCNC(=O)CN2C(=O)CNC2=O)C1 1103703798 DUNCZQKFDSKHCC-CHWSQXEVSA-N 320.393 -0.364 30 20 DBED C[C@H](CNC(=O)[C@H]1CCC(=O)N1)CNc1cnc(C#N)cn1 1103901872 OEYAEVJCJBKGNI-GXSJLCMTSA-N 302.338 -0.209 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H]1CN(c2cnc(F)cn2)CCO1 1104330703 VEWHPGPJGCHHTC-VXGBXAGGSA-N 322.340 -0.025 30 20 DBED C=CCNCc1cn(C2CN(C(=O)[C@@H]3COC(=O)N3)C2)nn1 1105225549 WKZXYUNHIMCCBW-NSHDSACASA-N 306.326 -0.955 30 20 DBED CC(C)[C@H](CNC(=O)[C@H]1CCNC1=O)N=c1cc[nH]c(C#N)n1 1105263289 SVSBDEFIDCWTFJ-QWRGUYRKSA-N 316.365 -0.541 30 20 DBED CCc1ocnc1C(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1 1105759135 GEJMKSXVDKARMQ-SECBINFHSA-N 316.321 -0.477 30 20 DBED CC(C)COCCC(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1 1105769761 OUNLNLGQWWEXOE-LBPRGKRZSA-N 321.381 -0.278 30 20 DBED CC[C@H](OC)C(=O)NC[C@@H](O)CN=c1cc(C)[nH]cc1C#N 1105780379 RFGIHCLLMYOEKF-JSGCOSHPSA-N 306.366 -0.002 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](O)CNC(=O)CC(=O)N(C)C)n1 1106134614 YPVMWGLOWFOBTC-NSHDSACASA-N 320.353 -0.976 30 20 DBED CC(=O)N[C@H](C)C(=O)NC/C=C\CNc1ccc(C#N)nn1 1107021702 XYZCZNNWRKYZRQ-UMBAGQNISA-N 302.338 -0.043 30 20 DBED N#Cc1cncc(NC/C=C/CNC(=O)[C@@H]2CCCNC2=O)n1 1107390202 SILDEMFNLUWLCV-ISUDXETCSA-N 314.349 -0.041 30 20 DBED C[C@H](CNc1ccc(C#N)nn1)NC(=O)[C@@H]1CCCS1(=O)=O 1107772531 AQWGRQLSEYBCNI-KOLCDFICSA-N 323.378 -0.158 30 20 DBED CCc1nc(C#N)cc(NC[C@@H](C)NC(=O)c2nnn(C)n2)n1 1108049200 KOWAVKCLQSDUII-MRVPVSSYSA-N 315.341 -0.335 30 20 DBED C#CCCN1CCO[C@](C)(CNC(=O)CCn2cnnn2)C1 1108301002 KOWHBRHKPINWGU-CQSZACIVSA-N 306.370 -0.706 30 20 DBED C=CCCN1CC(N2C[C@@H](NC(=O)[C@H](C)CC(N)=O)CC2=O)C1 1108561360 XYTFPWRLXLJTGX-NEPJUHHUSA-N 322.409 -0.525 30 20 DBED C[C@@H](CN(C)c1ccc(C#N)nc1)NC(=O)CCn1cnnn1 1109052673 ANUIPIHGXRXKFH-NSHDSACASA-N 314.353 -0.029 30 20 DBED CN(CCCNc1cncc(C#N)n1)C(=O)[C@H]1CNC(=O)N1 1109598477 CCXGLKHRBIIAOK-SNVBAGLBSA-N 303.326 -0.710 30 20 DBED C[C@H](C#N)C(=O)N[C@@]1(C)CCN(c2nccn3nnnc23)C1 1110736195 UNFULOWEBBZBIY-RNCFNFMXSA-N 300.326 -0.236 30 20 DBED C[C@]1(NC(=O)Cn2cncn2)CCN(c2cncc(C#N)n2)C1 1110760368 JJVMRMFIKDWXET-AWEZNQCLSA-N 312.337 -0.275 30 20 DBED C#CCO[C@H](C)C(=O)N(CCO)CCNc1cnc(F)cn1 1111510780 KQDYUAPEDBZUFM-LLVKDONJSA-N 310.329 -0.113 30 20 DBED CNC(=O)NCC(=O)N(C)CCCN(C)c1cnc(C#N)cn1 1112191545 FVBWSFMLIXHGBC-UHFFFAOYSA-N 319.369 -0.438 30 20 DBED COCC(=O)NC1(CO)CCN(c2ccnc(C#N)n2)CC1 1112644561 NPFMQSFOWZINAH-UHFFFAOYSA-N 305.338 -0.558 30 20 DBED CCOCC(=O)NC[C@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1112693294 ZTARJJLGUMQBCZ-JQWIXIFHSA-N 305.338 -0.702 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)C2CC(F)(F)C2)CC1 1112761819 MXCKPWNKIXRIMC-UHFFFAOYSA-N 300.309 -0.184 30 20 DBED C[C@H](C(=O)N1CCN(CC(=O)NCC#N)CC1)[C@@H]1CCCO1 1113317954 IJTCKQFQDBWATH-STQMWFEESA-N 308.382 -0.415 30 20 DBED C[C@H](CNC(=O)C[C@H]1CCNC1=O)N(C)c1ccc(C#N)nn1 1113755435 CLZZMUKJSCHXKW-GHMZBOCLSA-N 316.365 -0.185 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)c3ccnn3C)[C@H]2C1 1113990240 LUYZCBMQAYHILI-CIQGVGRVSA-N 315.377 -0.782 30 20 DBED N#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3cc(C#N)c[nH]3)[C@H]2C1 1114104002 UMZGKPOCGSOQNQ-QWRGUYRKSA-N 312.333 -0.814 30 20 DBED N#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3cc(C#N)c[nH]3)[C@H]2C1 1114104003 UMZGKPOCGSOQNQ-YABSGUDNSA-N 312.333 -0.814 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1[C@@H]2CN(Cc3csnn3)C[C@@H]21 1114157307 BXGMJZKRDHHLGG-YABSGUDNSA-N 319.390 -0.776 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1[C@@H]2CN(C[C@@H]3CCCCO3)C[C@@H]21 1114160528 ZQENWIMPGGBZGQ-SZOQZIPDSA-N 319.405 -0.259 30 20 DBED N#Cc1ccc(N2CCCCC[C@@H]2CNC(=O)C(N)=O)nn1 1114377609 NIDIVTAWQNZTCA-LLVKDONJSA-N 302.338 -0.301 30 20 DBED C#CCC1(C(=O)N[C@H]2[C@@H]3CN([C@H](C)C(N)=O)C[C@@H]32)CCOCC1 1114394343 AGECMDFEEDPMJF-MQYQWHSLSA-N 319.405 -0.273 30 20 DBED N#Cc1ccc(N2C[C@H]3[C@H](CNC(=O)Cn4ncnn4)[C@H]3C2)nc1 1114576668 KBLXDRCGNAVJTP-XYYAHUGASA-N 324.348 -0.562 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)[C@@H]3[C@H]4COC[C@H]43)[C@H]2C1 1114711549 WUYVSWKUAVHDNG-ZXPJVPCYSA-N 305.378 -0.773 30 20 DBED C[C@@H](CCCN=c1cc[nH]c(C#N)n1)NC(=O)[C@@H]1CCNC1=O 1115050593 QQPLVOFUHHCISY-WDEREUQCSA-N 316.365 -0.397 30 20 DBED N#CCN1C[C@@H]2C(NC(=O)CCC(=O)N3CCOCC3)[C@H]2C1 1115208889 MFNKYKSRFKNVAT-RYUDHWBXSA-N 306.366 -0.805 30 20 DBED C=CC[C@@H](CC)NC(=O)C(=O)NCC1CN(S(C)(=O)=O)C1 1117394190 SRRXESFFFXYANU-LLVKDONJSA-N 317.411 -0.535 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCC(C)(C)OC)C1=O 1117429148 XHKMXRPTSHWYAR-NSHDSACASA-N 311.382 -0.227 30 20 DBED C[C@@H]1CCN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)[C@@H]1CO 1118986317 ITVHGJVOUZTRDE-KWCYVHTRSA-N 320.393 -0.586 30 20 DBED C[C@@H](CN(C)C(=O)[C@@H]1CCNC1=O)Nc1nccnc1C#N 1120406570 DBQSVXLQQOPABM-VHSXEESVSA-N 302.338 -0.257 30 20 DBED CCOCCOCC(=O)NC[C@H](CO)Nc1ccc(C#N)cn1 1121675659 GNIOMJOXDBEJQC-CYBMUJFWSA-N 322.365 -0.105 30 20 DBED C=CCn1c(CCO)nnc1N1CC[C@@H]2COC(=O)N[C@H]2C1 1121714952 KCSXKRWTFLNQGD-MNOVXSKESA-N 307.354 -0.066 30 20 DBED Cc1nonc1CC(=O)NC[C@H](CO)Nc1ccc(C#N)nn1 1121956935 YTBFPHRLEHDYAQ-SNVBAGLBSA-N 317.309 -0.829 30 20 DBED CN(C[C@@H](O)CNc1ccc(C#N)nn1)C(=O)[C@@]12COC[C@@H]1C2 1124823357 VETCFXWIDSGCOA-WBIUFABUSA-N 317.349 -0.384 30 20 DBED C#CCNC(=O)CC(=O)NCCN[C@H]1CCN(C(C)(C)C)C1=O 1125997924 HDTYKYBFUNDHGS-LBPRGKRZSA-N 322.409 -0.769 30 20 DBED C=C(C)CN(CC)C(=O)CNCCNC(=O)c1cn(C)nn1 1126650104 JULWMFOYYISLRU-UHFFFAOYSA-N 308.386 -0.441 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cnc([C@@H](C)OC)s1 1127344725 RFBAQBDEULBIAG-SNVBAGLBSA-N 324.406 -0.081 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1ccnn1CCC 1128328334 YZDVCEOLBJHNAX-GFCCVEGCSA-N 305.382 -0.250 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1cnn2ccncc12 1129542449 WOQVLVWKFUBPQO-UHFFFAOYSA-N 302.338 -0.649 30 20 DBED C=C[C@](C)(O)CC(=O)N1C[C@@H](NCCO)[C@H](c2cncn2C)C1 1130982995 LVVUUHPQFFGCDD-IOASZLSFSA-N 322.409 -0.377 30 20 DBED COCC[C@H](C)C(=O)N1CCC(=O)NCCN(CC#N)CC1 1131394930 LPJAERIMXQJNBA-ZDUSSCGKSA-N 310.398 -0.167 30 20 DBED C#CCCN1CCNC(=O)CCN(C(=O)CCCC(N)=O)CC1 1131398928 HUADHALFCQFAEZ-UHFFFAOYSA-N 322.409 -0.684 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cc(C)cn2ccnc12 1131745823 GSHWKBXLFAMZJN-UHFFFAOYSA-N 313.361 -0.288 30 20 DBED C#CCN1C[C@@H](NC(=O)CCCS(N)(=O)=O)CC[C@H]1C 1132253408 UAPUPUMPPANNQV-NEPJUHHUSA-N 301.412 -0.343 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)Cc1ccc(OC)cn1 1132873073 WRIUPUFBDOWVCF-LBPRGKRZSA-N 318.377 -0.524 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)c1cc[n+]([O-])cc1 1133637165 UGLMIQFBZALQHB-CHWSQXEVSA-N 318.377 -0.444 30 20 DBED C[C@@H](C[C@@H](C)NCC#N)NC(=O)c1coc(S(N)(=O)=O)c1 1134774080 UYZRJCGQEMLZAP-BDAKNGLRSA-N 314.367 -0.063 30 20 DBED C#CCNC(=O)CNCCNC(=O)CCCC(=O)N(CC)CC 1135375078 PNOVURKJUAVHIO-UHFFFAOYSA-N 324.425 -0.520 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)Cc1cnc[nH]1 1135552624 IOWZIFPLWMZTSE-NWDGAFQWSA-N 305.382 -0.426 30 20 DBED Cc1nc(CN2CCCO[C@@H](CNC(=O)[C@H](C)C#N)C2)n[nH]1 1149406635 JMNSZKDSQNQGHB-PWSUYJOCSA-N 306.370 -0.020 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cccnc1OCC 1149617851 UGCFMFLCZKGDHX-UHFFFAOYSA-N 304.350 -0.451 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)CCc2cnn(C)n2)C1 1150325021 NGVYMSXFZAVWLL-AWEZNQCLSA-N 305.382 -0.412 30 20 DBED COCC#CCN1CCCO[C@@H](CNC(=O)c2cccnn2)C1 1150469303 FILOSFQONYLQSK-AWEZNQCLSA-N 318.377 -0.053 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)C[C@H]1CCN(C)C1 1156374376 PNWSDSGXFAXRJM-ZIAGYGMSSA-N 323.441 -0.205 30 20 DBED C#CCNC(=O)CC(=O)N1CCCC[C@@H]1CN(C)C[C@@H](C)O 1157841719 UKGOJQKBVXORBU-ZIAGYGMSSA-N 309.410 -0.180 30 20 DBED C=CCCCNCCCNC(=O)Cn1ncn2nccc2c1=O 1167542255 PXFZYYYHOCNYHF-UHFFFAOYSA-N 318.381 -0.047 30 20 DBED C#CCNC(=O)CNCCCCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1178458736 VPBVJZDDJBYOKD-CHWSQXEVSA-N 324.381 -0.333 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2ocnc2C)C1 1181878195 HMOOXYBAIBNFTP-NWDGAFQWSA-N 304.350 -0.075 30 20 DBED C=CCN[C@@H]1CCN(C(=O)[C@H](Cc2cnc[nH]2)NC(C)=O)C1 1185378137 PLVKLTGZEMSXKW-OCCSQVGLSA-N 305.382 -0.167 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2occc2C)C1 1191005072 NSJRZUOYUJKAGX-VXGBXAGGSA-N 305.334 -0.888 30 20 DBED COc1nc(C(=O)N2CC[C@H](N(C)CC(=O)NCC#N)C2)co1 1191560893 JNARJGOIVXPZSO-JTQLQIEISA-N 321.337 -0.531 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN([C@H](C)c2ncccn2)C[C@H]1O 1192891416 MMWOZGBVNYQODW-MGPQQGTHSA-N 318.377 -0.261 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C23CCC(CC2)C3)C1 1194117963 BSKBKSCOBOHZMW-YXXKGXSTSA-N 319.405 -0.523 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCCN2C)C1 1194119539 XKPPQCHVSWSYBT-RBSFLKMASA-N 311.426 -0.165 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)c2ccnc(O)c2)CC1 1200047600 BXNZAUJKNVEKOP-UHFFFAOYSA-N 316.361 -0.269 30 20 DBED C#CCNC(=O)CNC[C@H]1CN(C(=O)CCC=C)CCCO1 1200084183 UZJUFUYMHPJAEC-AWEZNQCLSA-N 307.394 -0.091 30 20 DBED CC1(C)C[C@H]1C(=O)N1CCCO[C@H](CNCC(=O)NCC#N)C1 1200283297 QQYHMPRXURBULL-OLZOCXBDSA-N 322.409 -0.121 30 20 DBED C#CCNC[C@H]1CN(C(=O)[C@@]2(C)CCNC(=O)C2)CCCO1 1200796140 UDEBPYLRKSJYGC-BBRMVZONSA-N 307.394 -0.257 30 20 DBED CC(=O)N1CCC[C@H](C(=O)N2CCCO[C@H](CNCC#N)C2)C1 1200913374 YDAUHBUQTDKFQX-LSDHHAIUSA-N 322.409 -0.024 30 20 DBED C#CCCNC[C@H]1CN(C(=O)[C@]2(C)CCC(=O)N2)CCCO1 1201359143 JLAPISSGHGNFPI-BBRMVZONSA-N 307.394 -0.115 30 20 DBED C=CCNC[C@@H]1CN(C(=O)Cn2c(O)nnc2O)CCCO1 1201945266 TZJKSRVEFXUINL-SNVBAGLBSA-N 311.342 -0.918 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)Cn2cc(C)cn2)[C@H](C)C1 1206294224 FTOJGLNRBQYRBW-ZIAGYGMSSA-N 317.393 -0.623 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)Cc1cc[nH]n1 1206713122 OJMFELOGRITZFH-ZYHUDNBSSA-N 304.354 -0.972 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)c2cnnc(C)c2)C1 1207893657 USZIQCWXPGTDSA-AWEZNQCLSA-N 315.377 -0.271 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2cncn2C)C[C@H]1OC 1212255554 MTRCLVISVIXNTL-NWANDNLSSA-N 320.393 -0.226 30 20 DBED C=C(C)CCC(=O)N[C@@H]1CN(Cc2nnnn2C)C[C@H]1OC 1212347124 VWLWFHIANCAMRQ-VXGBXAGGSA-N 308.386 -0.118 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)COCc1cc(C)on1 1212448638 WIAKLCWEIDLAFL-CHWSQXEVSA-N 308.338 -0.161 30 20 DBED C#CCCN1C[C@@H](NC(=O)[C@@H](C)S(C)(=O)=O)[C@H](OC)C1 1212474848 VXNHSNXJHSMMSG-IJLUTSLNSA-N 302.396 -0.742 30 20 DBED C#CCCN1C[C@@H](NC(=O)CNC(=O)c2ccco2)[C@H](OC)C1 1213812380 AGJAQDUMOZSCKY-TZMCWYRMSA-N 319.361 -0.152 30 20 DBED C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1NCC(=O)NC1CC1 1214170111 RBYRDVBZQFCPJT-ZYHUDNBSSA-N 310.423 -0.042 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(Cc2nccnc2C)C[C@@H]1O 1219535978 INESKJJZEWVLLC-YCPHGPKFSA-N 320.393 -0.227 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)C(C)(C)C(=C)C)C1 1220134002 VAFYXOQSKZQZFM-MCIONIFRSA-N 321.421 -0.112 30 20 DBED CC#CCCCC(=O)N[C@@H]1CN(CC(=O)NCC2CC2)C[C@@H]1O 1220175664 DLEFKUSENSTERH-CABCVRRESA-N 321.421 -0.133 30 20 DBED CC#CCCCC(=O)N[C@@H]1CN([C@@H]2CCCN(C)C2=O)C[C@@H]1O 1220184605 MBXWMIGBTNAAJR-KFWWJZLASA-N 321.421 -0.038 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@H]2CC23CCC3)C1 1220429842 AQCGGONQSBTKBR-UPJWGTAASA-N 305.378 -0.913 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)CNC(=O)CC2CCCCC2)C1 1221183988 PVTCNHGIPURKEE-CABCVRRESA-N 321.421 -0.133 30 20 DBED COCC#CCN1CC[C@@H]2CCN(C(=O)Cn3ncnn3)C[C@@H]21 1222694407 WADZBHQHCIHVNW-KGLIPLIRSA-N 318.381 -0.754 30 20 DBED C=CCNC(=O)CN1CCC(CNC(=O)c2[nH]nnc2C)CC1 1224003126 SRKKEHHOIFLGIF-UHFFFAOYSA-N 320.397 -0.143 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC(NC(=O)CSCC#N)CC1 1226152224 DKXLHYNGCWKHMV-GFCCVEGCSA-N 322.434 -0.038 30 20 DBED C#CCO[C@H](C)C(=O)NC1CCN([C@@H](C)C(=O)NC(N)=O)CC1 1227307557 CVRPDQRPHDAUTP-WDEREUQCSA-N 324.381 -0.811 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC(NC(=O)CN2CCCC2)CC1 1230267868 OOGNUEPBWRWBCG-CQSZACIVSA-N 320.437 -0.199 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)CC1OCCCO1 1233916338 WVHBCXFDNDKTKQ-ZDUSSCGKSA-N 323.393 -0.578 30 20 DBED COCCN1CC[C@H](NC(=O)C(=O)Nc2cnn(CC#N)c2)C1 1253369902 UOETWIOPSSCOJS-NSHDSACASA-N 320.353 -0.818 30 20 DBED O=C1C=CC=N/C1=C(\O)NCCNS(=O)(=O)NC1CC1 1254656096 XBUNBNWCAIPCST-KHPPLWFESA-N 300.340 -0.901 30 20 DBED C#CCNC(=O)CN1CCN(c2nnnn2C2CCCC2)CC1 1262214685 YAQKMVREUPNQJT-UHFFFAOYSA-N 317.397 -0.340 30 20 DBED CS(=O)(=O)N1CCC(C(=O)N2CCN(CC#N)CC2)CC1 1319233313 BBALMCGXCNXAGW-UHFFFAOYSA-N 314.411 -0.674 30 20 DBED CC[C@@H](C#N)NS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 1320520995 CHSOAELYMGMWIU-ZETCQYMHSA-N 308.319 -0.203 30 20 DBED C[C@]1(CO)CCCN(C(=O)C(=O)NC2CCN(CC#N)CC2)C1 1322623519 UTNMCRQIHCAFRO-INIZCTEOSA-N 322.409 -0.288 30 20 DBED CC(C)N1C[C@@H](NC(=O)C(=O)N2CC[C@](F)(C#N)C2)CC1=O 1322814357 QBODVAVUOOMTAA-HZMBPMFUSA-N 310.329 -0.424 30 20 DBED CO[C@@H]1COC[C@H]1NC(=O)C(=O)Nc1ccn(CCC#N)n1 1326088094 OXHDADBHHYYMCL-NXEZZACHSA-N 307.310 -0.735 30 20 DBED C=CC[C@@H](NC(=O)c1nc(N)nc(N(C)C)n1)C(=O)OCC 1326893184 MTGGWZLAZMEEJA-MRVPVSSYSA-N 308.342 -0.243 30 20 DBED CN(CC1=CCCOC1)C(=O)C(=O)N1CC[C@](O)(CC#N)C1 1328259442 JSQREADQYPXYKT-OAHLLOKOSA-N 307.350 -0.331 30 20 DBED C=C[C@H](CO)NC(=O)C(=O)N[C@@H](c1cnn(C)c1)C(F)(F)F 1330496328 QUXQSGJSUJCBFH-BDAKNGLRSA-N 320.271 -0.197 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)NCC2CCNCC2)CCN1C1CC1 1332304348 XODCBJOWTQXPFC-CQSZACIVSA-N 319.409 -0.699 30 20 DBED N#CCC1(CNC(=O)C(=O)N2CCN([C@H]3CCOC3)CC2)CC1 1334210248 SOBITWHWBQHXMA-ZDUSSCGKSA-N 320.393 -0.270 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)Nc1cccc(-n2cnnn2)c1 1338112346 LNWBSEUTUPOAAQ-JTQLQIEISA-N 316.321 -0.082 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N1CCN(c2cnn(C)c2)CC1 1343071097 TXRNJSVQLKDOCB-LBPRGKRZSA-N 321.381 -0.614 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CC[C@@H]([C@@H](C)O)C2)nn1 1345711281 RRQODGFVJHVUAL-GHMZBOCLSA-N 307.354 -0.690 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)NCCn1cnnc1CC 1346618906 XXSLZROOVFPQFU-UHFFFAOYSA-N 301.350 -0.558 30 20 DBED C#Cc1cccc(CNC(=O)C(=O)N[C@@H](C)C(=O)N(C)C)c1 1348715526 FIENHZGPEWEECP-NSHDSACASA-N 301.346 -0.123 30 20 DBED C#CCSCC(=O)N[C@H](C)C(=O)N1CCS(=O)(=O)CC1 1350574496 SPDCZBLMIDBZSI-SNVBAGLBSA-N 318.420 -0.886 30 20 DBED CC(C)[C@H](CN(C)C)NC(=O)Cn1cc(C#N)c(O)nc1=O 1362641060 RYNOGANBQQWRCY-NSHDSACASA-N 307.354 -0.477 30 20 DBED N#Cc1ncn(CCNC(=O)CCC(=O)N2CCC(O)CC2)n1 1362648728 XOIQMLFRCDJUOD-UHFFFAOYSA-N 320.353 -0.971 30 20 DBED C[C@H](C#N)C(=O)NCC1CN(CCN2CCCS2(=O)=O)C1 1373501812 GKIUCLVMJQAZEE-LLVKDONJSA-N 314.411 -0.770 30 20 DBED CCN(CCNC(=O)[C@@H](C)C#N)C(=O)CCNS(C)(=O)=O 1373938995 ZQZQZKUUQZZZGP-JTQLQIEISA-N 318.399 -0.950 30 20 DBED CCc1cc(C(=O)N(C)C[C@H](O)CNC(=O)[C@@H](C)C#N)n[nH]1 1384190830 YCZINHOAXMHPTM-GXSJLCMTSA-N 307.354 -0.319 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1C[C@@H](NC(=O)C2(NC(N)=O)CC2)C1 1384971356 PLSBXPXVWSZGPH-BBBLOLIVSA-N 307.354 -0.642 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CCN(C(=O)c2cc3n(n2)CCO3)C1 1385879154 NJQIHAGVMZWSGK-UWVGGRQHSA-N 303.322 -0.234 30 20 DBED COCC(=O)N(C)CC(=O)N1CCC[C@H](NC(=O)[C@@H](C)C#N)C1 1388949916 UXDMXESQTLJAJN-RYUDHWBXSA-N 324.381 -0.642 30 20 DBED C[C@@H](C#N)C(=O)NC1CN(C(=O)[C@@H]2CCCS(=O)(=O)C2)C1 1389402351 LBDMVZXVJYLLSW-VHSXEESVSA-N 313.379 -0.702 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)CCc2cncs2)C1 1396389166 NIYYDQBTTLTKNJ-MVWJERBFSA-N 322.390 -0.077 30 20 DBED C[C@@H](C#N)C(=O)NCCN1CCN(Cc2nncs2)CC1 1398266413 IVZMNNNSQASNCC-NSHDSACASA-N 308.411 -0.068 30 20 DBED C=C(Cl)CNC[C@H](O)CNC(=O)c1ccnc2c1nnn2C 1406272860 RXDAEVJDZAHGIY-VIFPVBQESA-N 324.772 -0.204 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CCN(C(=O)c2ccc(=O)n(C)n2)C1 1407561505 SIPJIWCESDCDLD-ZJUUUORDSA-N 303.322 -0.729 30 20 DBED CCOCC(=O)N1C[C@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 1414044092 IGZXLWIBEJZEFY-NEPJUHHUSA-N 306.322 -0.776 30 20 DBED COCC(=O)N(C)CC(=O)NC1CCN(C(=O)[C@@H](C)C#N)CC1 1414680233 RECAMPBBFMGJGT-NSHDSACASA-N 324.381 -0.642 30 20 DBED C[C@H](CCNC(=O)CCS(C)(=O)=O)NC(=O)[C@H](C)C#N 1415401030 CPSSABJKLGWANS-NXEZZACHSA-N 303.384 -0.408 30 20 DBED C[C@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)CO[C@H]1CCOC1 1416813392 VCPIGDDORODNNC-PWSUYJOCSA-N 320.349 -0.074 30 20 DBED CNC(=O)Cc1noc(CN[C@H]2C[C@H](NC(=O)[C@H](C)C#N)C2)n1 1418051966 PDEOUPDYSJRGDO-OPRDCNLKSA-N 320.353 -0.745 30 20 DBED C[C@H](C#N)C(=O)N1CCC(N(CCO)C(=O)c2cn[nH]c2)CC1 1446197660 YMIQFIIUVSLRLF-LLVKDONJSA-N 319.365 -0.005 30 20 DBED CC(C)[C@@H](C(=O)NC[C@@H](C)N(C)CC(=O)NCC#N)N(C)C 1505939268 DLXCRANXYJUSFE-OCCSQVGLSA-N 311.430 -0.351 30 20 DBED C[C@H](C#N)C(=O)N[C@H](CNC(=O)c1cnnc(O)c1)C1CC1 1524440043 JHFRJOVYMCJUHG-LDYMZIIASA-N 303.322 -0.034 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)C[C@H]2CCCC(=O)N2)CC1 1535883583 BJSWARMPDWTPAD-GHMZBOCLSA-N 306.366 -0.030 30 20 DBED C[C@@H](CC#N)NCCS(=O)(=O)c1ccc(-c2nn[nH]n2)cn1 1574470503 CLMNRPVUAWMUJN-VIFPVBQESA-N 321.366 -0.073 30 20 DBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H](N)[C@@H](C)O 1576817174 YXFNCWAYHWHBLC-UMNHJUIQSA-N 304.354 -0.907 30 20 DBED C[C@@H]1CS(=O)(=O)CCCN1C(=O)N[C@@H]1CNC[C@@H]1C#N 1576860406 ITIMEPHHFHVZDS-OUAUKWLOSA-N 300.384 -0.683 30 20 DBED N#Cc1c[nH]c(=O)n(CC(=O)c2ccc(-c3nn[nH]n3)cc2)c1=O 1581861077 IHGHNVRXSSNXQQ-UHFFFAOYSA-N 323.272 -0.529 30 20 DBED C#CC[C@@H](CO)NC(=O)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 1588332168 WKPQXLIETHNZGO-RYUDHWBXSA-N 301.306 -0.600 30 20 DBED C#CCN(CC(=O)O)C(=O)C(=O)Nc1cc(C)cnc1OC 1588395877 QUMFKTYYNINMJI-UHFFFAOYSA-N 305.290 -0.116 30 20 DBED C=C(C)CCN[C@H](CO)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 1588424905 PWLLPIPYPQYBQL-NSHDSACASA-N 319.369 -0.159 30 20 DBED C#CCN(CC(=O)O)c1nnnn1Cc1ccc(C)n(C)c1=O 1588427327 UIZJAQFKAYPEBR-UHFFFAOYSA-N 316.321 -0.747 30 20 DBED C=CCOC[C@H](NC(=O)C[C@@H]1CCCS1(=O)=O)C(=O)O 1588854285 UQNUOPJONPHBKI-UWVGGRQHSA-N 305.352 -0.274 30 20 DBED CC(=O)NCCCCCn1c(N)nc(C#N)c1-c1nn[nH]n1 1588862575 SULZWAVAKHUFDW-UHFFFAOYSA-N 303.330 -0.177 30 20 DBED COC(=O)C1=NO[C@@]2(CCN(C(=O)[C@](C)(C#N)CC(=O)O)C2)C1 1593815422 FOCKUTRYYGHWJA-KBPBESRZSA-N 323.305 -0.089 30 20 DBED N#CCN(CCC(=O)O)C(=O)CCC(=O)N1CCC(O)CC1 1601071254 XOJMKUNJOGPHRV-UHFFFAOYSA-N 311.338 -0.423 30 20 DBED C#CCN(CC(=O)O)C(=O)C1(O)CN(C(=O)OC(C)(C)C)C1 1602682605 QXRLDWXJFXLBHA-UHFFFAOYSA-N 312.322 -0.485 30 20 DBED C[C@@](CO)(NCCS(=O)(=O)c1ccc(C#N)cn1)C(=O)O 1604197212 WRTLOYMUYIRHQM-LBPRGKRZSA-N 313.335 -0.848 30 20 DBED CC[C@](COC)(NS(=O)(=O)N(C)[C@@H](C)CC#N)C(=O)O 1609926958 ZTDUGVKACKKFSD-GXSJLCMTSA-N 307.372 -0.065 30 20 DBED N#Cc1ncn(CCNC(=O)NCc2ccc(C(N)=O)cc2)n1 1645777319 BLTHUUPUEMXPOV-UHFFFAOYSA-N 313.321 -0.252 30 20 DBED N#Cc1cc(S(N)(=O)=O)ccc1N1CC[C@@H](CC(N)=O)C1 1647193896 HZWFPOSNRKDUGW-VIFPVBQESA-N 308.363 -0.093 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)c2ccn(C)n2)C1 1714334313 BRKYBPHBYBRIJZ-RYUDHWBXSA-N 303.366 -0.638 30 20 DBED C=CCOCC(=O)N[C@H]1C[C@H](NC[C@H]2CCS(=O)(=O)C2)C1 1752621769 ITIDXILMJLSSPL-JHJVBQTASA-N 316.423 -0.140 30 20 DBED Cc1ncc(C(=O)NC[C@H]2CCCN(CC(=O)NCC#N)C2)[nH]1 1752778419 JEXHSDXTELWVKW-GFCCVEGCSA-N 318.381 -0.200 30 20 DBED CCn1nc(C)c(C(=O)NC[C@@H](C)NCC(=O)NCC#N)c1C 1752907637 HXWQSJPYPLGOJH-SNVBAGLBSA-N 320.397 -0.132 30 20 DBED CC#CCNC[C@H]1[C@H](C)CCCN1C(=O)CS(=O)(=O)NC 1753811831 AZBSGBKBHCEJBJ-OLZOCXBDSA-N 315.439 -0.224 30 20 DBED C=CCNC(=O)CN(C)CCN(C)C(=O)c1cccn(C)c1=O 1753867104 DQUJPONPEMFYHB-UHFFFAOYSA-N 320.393 -0.309 30 20 DBED COCC#CCNC[C@@H](O)CNC(=O)c1cnc2n1CCC2 1753913973 MUMOAHAKDUPAEQ-GFCCVEGCSA-N 306.366 -0.841 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CNC(=O)c1cnn(CC)c1 1754478628 RBNVMANMQBLGNQ-ZDUSSCGKSA-N 303.366 -0.544 30 20 DBED C#CCNC(=O)CNC1(CNC(=O)[C@H]2CCCCN2C)CC1 1754518488 YGILJQNFRFMQDJ-CYBMUJFWSA-N 306.410 -0.542 30 20 DBED C#CCCN1CC(O)(CNC(=O)COCc2nccn2C)C1 1754769148 OFKYUHLMYPGPAW-UHFFFAOYSA-N 306.366 -0.877 30 20 DBED C=CCNC[C@H]1CN(C(=O)CCS(=O)(=O)NC)C[C@H]1C 1754815219 OACKKTXHVFYGDR-NEPJUHHUSA-N 303.428 -0.204 30 20 DBED N#CCN1CCC[C@](CO)(NC(=O)[C@H]2CCNC(=O)CC2)C1 1754855306 MWJYTDJTTRHZIJ-DOMZBBRYSA-N 308.382 -0.631 30 20 DBED C#CCN1CCC[C@@H](NC(=O)[C@H](C)NS(=O)(=O)CC)CC1 1755024654 FRXYZSDEFRCBEL-QWHCGFSZSA-N 315.439 -0.082 30 20 DBED CC#CCN1CCC(CO)(NC(=O)C(=O)NCC(F)F)CC1 1755178666 MKDOHRYBHQVFDV-UHFFFAOYSA-N 317.336 -0.666 30 20 DBED COCc1cc(C(=O)NC2(CO)CCN(CC#N)CC2)no1 1755181020 KYRFTUUPURWQTE-UHFFFAOYSA-N 308.338 -0.099 30 20 DBED C=CCOCCNCC1CC(NC(=O)[C@@H]2CN(C)C(=O)N2)C1 1755215608 VKACVCKSTRRXPI-BPCQOVAHSA-N 310.398 -0.303 30 20 DBED COc1ccnc(C(=O)N[C@@H](C)[C@@H](C)NCC(=O)NCC#N)c1 1755248597 KIFOJRDCVBAGEZ-MNOVXSKESA-N 319.365 -0.174 30 20 DBED C[C@@H](NC(=O)c1cscn1)C1CN(CC(=O)NCC#N)C1 1755376212 YGVSRFDFGVQVCH-SECBINFHSA-N 307.379 -0.167 30 20 DBED N#CCNC(=O)CNC[C@H]1C[C@H](NC(=O)CCn2cccn2)C1 1755468836 SVUPJIOZCNLHRU-JOCQHMNTSA-N 318.381 -0.603 30 20 DBED Cc1cn(C)nc1C(=O)N(C)C[C@@H](C)NCC(=O)NCC#N 1755585893 DOVZBUUVCHMWJF-LLVKDONJSA-N 306.370 -0.582 30 20 DBED CNC(=O)NC(=O)[C@@H](C)NC1CC(N(C)C(=O)C#CC2CC2)C1 1755857056 YESWFGPKASZGIG-QFWMXSHPSA-N 320.393 -0.177 30 20 DBED C[C@@H](CNC(=O)c1nnc(O)nc1O)N(C)C(=O)C#CC1CC1 1756051567 KTHLZDSLKYGGLK-QMMMGPOBSA-N 319.321 -0.727 30 20 DBED C#CCOCCC(=O)N1CC([C@H](C)NC(=O)[C@H](C)NC(N)=O)C1 1756136625 KNKOFSLICNLHDH-QWRGUYRKSA-N 324.381 -0.954 30 20 DBED C=CCCC(=O)N[C@@H]1CN(C(=O)c2cc(OC)ncn2)C[C@@H]1O 1757160762 DGAJNWCMJJRUCF-NEPJUHHUSA-N 320.349 -0.247 30 20 DBED C#CCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CNC(N)=O 1804479220 WHHIVOQWGKDFFD-ZSBIGDGJSA-N 306.366 -0.294 30 20 DBED N#CCCC(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834760544 NNTPAMZPSUZXMF-HNNXBMFYSA-N 320.349 -0.340 30 20 DBED C#CCCCC(=O)N1CCOC[C@@]2(CN(C(=O)C#C)CCO2)C1 1839810827 ULGBWGXVNUDGFV-QGZVFWFLSA-N 318.373 -0.121 30 20 DBED CC(=O)N(C)CCC(=O)N1CCCC12CN(C(=O)CC#N)C2 1841836666 YYPFGAYODZABJL-UHFFFAOYSA-N 306.366 -0.028 30 20 DBED C=CCNC(=O)CNC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 181634880 VFPUAZBPKXSJRT-QMMMGPOBSA-N 307.272 -0.184 30 20 DBED C#CCOc1cccc(NC(=O)C(=O)N[C@@H]2CC(=O)N(C)C2)c1 267375283 MYNCWCXSLKUYNC-GFCCVEGCSA-N 315.329 -0.016 30 20 DBED COCCN(CC(=O)N(CCC#N)CCC#N)[C@@H](C)C(N)=O 268372553 SEHOWBKBCHCUFS-LBPRGKRZSA-N 309.370 -0.535 30 20 DBED C#CCN(C(=O)NCCNS(=O)(=O)NC(C)C)C1CC1 277124866 RNQIGLKEKVDCRT-UHFFFAOYSA-N 302.400 -0.374 30 20 DBED C=CCNC(=O)CNC(=O)N1CCCC[C@@H](S(C)(=O)=O)C1 277965041 MHGLEXSAQAWTJR-LLVKDONJSA-N 317.411 -0.103 30 20 DBED CC#CCN(C)C(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 294587585 PAMHXMAXCAIOAA-NWDGAFQWSA-N 312.391 -0.496 30 20 DBED N#Cc1ncccc1S(=O)(=O)NCCN1CCC(O)CC1 321400207 FLYYZNWUPIMAHH-UHFFFAOYSA-N 310.379 -0.312 30 20 DBED CC(C)N1CC[C@H](/N=C(/O)CN2CCS(=O)(=O)CC2)C1=O 329714719 TZGRFUVHFVPTBP-NSHDSACASA-N 317.411 -0.317 30 20 DBED CCN1CCN(C/C(O)=N/[C@H]2CCN(C(C)=O)C2)C(=O)C1=O 329974421 DAQQEUWIDCFFCV-NSHDSACASA-N 310.354 -0.746 30 20 DBED CCOC(=O)[C@H](C)[C@@H](C)NS(=O)(=O)N1CCO[C@@H](C#N)C1 336950589 SZUXXAYSHMOWRV-MXWKQRLJSA-N 319.383 -0.367 30 20 DBED CC(C)C(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1C 340318554 DCNAJAVTGPHZHT-UHFFFAOYSA-N 316.386 -0.092 30 20 DBED C=CCN1CCC(NC(=O)C(=O)NC[C@H]2COCCO2)CC1 342654428 XBQMWFTZKUSQCU-ZDUSSCGKSA-N 311.382 -0.715 30 20 DBED C[C@@H](Nc1ccn(CC(=O)N(C)C)n1)C(=O)NC1(C#N)CCC1 345140294 RGHXGZZELUOEGN-LLVKDONJSA-N 318.381 0.334 30 20 DBED N#Cc1ccc(NCC(=O)NCC2(C(N)=O)CCCC2)nc1 345446137 NGNNAYRKLLSERW-UHFFFAOYSA-N 301.350 0.527 30 20 DBED COC(=O)CN(CC#N)C(=O)CS(=O)(=O)C1CCCC1 348805115 SSMJQHPJBBFJLM-UHFFFAOYSA-N 302.352 -0.131 30 20 DBED N#Cc1ccc(S(=O)(=O)NCCCn2cc(CO)nn2)o1 349786835 YYUOIPVXZZIQBW-UHFFFAOYSA-N 311.323 -0.396 30 20 DBED C=CCOCC(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C 354295198 GOAQOJZVXICUTM-UHFFFAOYSA-N 304.306 -0.227 30 20 DBED COC(=O)c1cccc(CCNC(=O)NCC(=O)NCC#N)c1 358299891 UTGORCMVJXDWBE-UHFFFAOYSA-N 318.333 -0.045 30 20 DBED C=CCS(=O)(=O)CCNC(=O)[C@H]1CN2CCCN1CC2 378633957 PYVBKCOEHSZKML-GFCCVEGCSA-N 301.412 -0.907 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CCC[C@H]([C@@H](C)N)C2)nn1 424537389 CDBLDOJLOQHVBX-NEPJUHHUSA-N 320.397 -0.334 30 20 DBED CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC(C(N)=O)C(N)=O 430057972 HRUXJYCNEZFPHZ-LBPRGKRZSA-N 318.333 -0.583 30 20 DBED N#Cc1ccc(F)c(CS(=O)(=O)N2C[C@@H](O)[C@H](O)C2)c1 434764004 GXTMRKAASINLER-VXGBXAGGSA-N 300.311 -0.435 30 20 DBED C#CCNC(=O)CCN1CCN([C@@H](C)C(=O)N2CCCC2)CC1 491068578 PNWKAFWDVZSBBN-HNNXBMFYSA-N 320.437 -0.246 30 20 DBED N#Cc1nc(=NCCN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc[nH]1 520429445 OQDCKDNZFPIJJF-TXFQPVFDSA-N 309.329 -0.011 30 20 DBED CCC(C#N)(CC)C(=O)N1CCN(S(=O)(=O)NC)CC1 529291623 PIAFOHVCJVUIRU-UHFFFAOYSA-N 302.400 -0.075 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N1CCN(C(=O)N(C)C)CC1 554843125 HKZWVZPCVPGENB-LLVKDONJSA-N 311.386 -0.314 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCOC[C@@H]1C(=O)O 593269617 LGRDJZSRVRLBTI-NXEZZACHSA-N 305.356 -0.502 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)NCC[C@]1(O)CCCOC1 593660595 LOMMKGHWARYKAP-NWDGAFQWSA-N 305.400 -0.156 30 20 DBED N#Cc1cccc(CNC(=O)C(=O)NC[C@@H]2COCCN2)c1 599943704 JPWHFCPSDBVDMB-CYBMUJFWSA-N 302.334 -0.721 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)nn1 648750093 DRTQGXASIKHPMF-JTQLQIEISA-N 313.383 -0.382 30 20 DBED N#Cc1cccc(OCC(=O)N2CCN(S(N)(=O)=O)CC2)c1 732069047 QYENVTWHCGFPKN-UHFFFAOYSA-N 324.362 -0.715 30 20 DBED CC[C@H](C#N)OC(=O)CNS(=O)(=O)c1cn(C)c(C)n1 781175942 RLJSINSETYDQQZ-SECBINFHSA-N 300.340 -0.148 30 20 DBED C#CCOCCNC(=O)NCc1cccc(S(N)(=O)=O)c1 784544721 ITNYHEGSZODULL-UHFFFAOYSA-N 311.363 -0.217 30 20 DBED COC[C@@H](C#N)OC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C 785141501 TWALRHKQBWRDPQ-SECBINFHSA-N 318.289 -0.672 30 20 DBED COC[C@@H](C#N)OC(=O)c1cc(S(N)(=O)=O)ccc1O 785257626 QPPKASAYFLHORV-SSDOTTSWSA-N 300.292 -0.265 30 20 DBED C#C[C@H](NC(=O)C(=O)NCc1cc(C)ncn1)[C@@H]1CCCO1 806200656 JKCDSVCUERBWOX-STQMWFEESA-N 302.334 -0.302 30 20 DBED CC#CCS(=O)(=O)NC(=O)c1cn(C)nc1-c1cnn(C)c1 810771725 YNDPAROJIMRDDJ-UHFFFAOYSA-N 321.362 -0.097 30 20 DBED COC[C@@H](C)NC(=O)NC(=O)COC(=O)c1cccc(C#N)n1 811251901 WWKSZXXNKGJUEL-SECBINFHSA-N 320.305 -0.029 30 20 DBED Cn1nc(C(=O)NS(=O)(=O)CCC#N)cc1OC(F)F 821583717 DWKOXTSUAQKKCG-UHFFFAOYSA-N 308.266 -0.005 30 20 DBED C=C[C@H](C)ONC(=O)C(=O)Nc1cnn(CC(=O)OC)c1C 846155110 DTJYWPSWLFBLGJ-QMMMGPOBSA-N 310.310 -0.075 30 20 DBED C=C[C@@H]1OCC[C@H]1NC(=O)[C@H](CO)NC(=O)c1cccc(F)n1 846238387 DBSCNBIMYRSYHY-USWWRNFRSA-N 323.324 -0.229 30 20 DBED C#CC[C@@H](CO)NC(=O)C1(C(=O)N[C@H](CO)CC#C)CCC1 854545286 FKTXIDGTXJFSAT-STQMWFEESA-N 306.362 -0.843 30 20 DBED C#CCCN(CCOC)C(=O)NCCCS(=O)(=O)NC 876024173 DCQQJMCKNKKFGN-UHFFFAOYSA-N 305.400 -0.393 30 20 DBED C#CC1(O)CN(C(=O)[C@H]2CS(=O)(=O)C[C@H]2C(F)(F)F)C1 890527440 SGIREMILPKBSFP-JGVFFNPUSA-N 311.281 -0.584 30 20 DBED C#C[C@@H](NC(=O)C(=O)N1C[C@H]2CC[C@@H](O)[C@H]2C1)[C@H]1CCCO1 898004099 XVZIJIVFYLVJRD-XVIXHAIJSA-N 306.362 -0.487 30 20 DBED CCN(C[C@@H](C)C#N)C(=O)COC(=O)[C@@H](C)S(C)(=O)=O 919350483 ZIRPCSHSCOCOKZ-VHSXEESVSA-N 304.368 -0.029 30 20 DBED CS(=O)(=O)N1CC[C@H](NC(=O)N2CCC[C@@H](C#N)C2)C1 923071680 ZKXGLUCBCIGWSK-QWRGUYRKSA-N 300.384 -0.035 30 20 DBED C#Cc1cncc(C(=O)N2CC[C@H](NC(=O)Cn3nccn3)C2)c1 938012568 CAYZHVBXXRGPCK-AWEZNQCLSA-N 324.344 -0.315 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)c2cnc(O)n2C)C1 944704980 UQRWXOPYBNPNNC-UWVGGRQHSA-N 321.337 -0.757 30 20 DBED C#CCN1CC[C@@H](NC(=O)CN2CCC(=O)NC2=O)C[C@H]1C 947899489 KJVIWKULNWNESW-VXGBXAGGSA-N 306.366 -0.469 30 20 DBED Cn1nncc1C(=O)N1CC[C@H]1CNC(=O)c1c[nH]c(C#N)c1 949492035 XHQJGBVWKWVECV-NSHDSACASA-N 313.321 -0.341 30 20 DBED C#Cc1cncc(C(=O)N2CCN(Cc3nnnn3C)CC2)c1 950406721 FLJCVTIJLGTUDH-UHFFFAOYSA-N 311.349 -0.456 30 20 DBED CC(=O)N1CC(C(=O)N[C@@]2(C)CCN(C(=O)[C@H](C)C#N)C2)C1 956862395 UDBGBUZRTHHWGS-BMIGLBTASA-N 306.366 -0.268 30 20 DBED C=CCCN1C[C@H](O)[C@H](CNC(=O)c2ccn(C)c(=O)c2)C1 958184056 UFWKNUTUPKNORU-KGLIPLIRSA-N 305.378 -0.016 30 20 DBED Cc1nc2ccnn2cc1C(=O)NC[C@H]1CN(CC#N)C[C@@H]1O 958557220 YVUJCMFAZDEVPL-AAEUAGOBSA-N 314.349 -0.416 30 20 DBED C#CCCN1C[C@@H](O)[C@@H](CNC(=O)c2c[nH]c(C)cc2=O)C1 958562486 GKLNCXKDLSCVMD-SWLSCSKDSA-N 303.362 -0.271 30 20 DBED N#Cc1cc(C(=O)N[C@H]2[C@@H]3CN(Cc4nc(O)n[nH]4)C[C@@H]32)c[nH]1 958618397 RWTBEXUSNPKPQE-IAZYJMLFSA-N 313.321 -0.430 30 20 DBED C=CCN1C[C@H](CNC(=O)c2cccc(C(N)=O)n2)[C@@H](O)C1 958736443 OQJNAUAVRNJFPV-GWCFXTLKSA-N 304.350 -0.611 30 20 DBED Cc1cnoc1C(=O)N(C)[C@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1O 958947319 HCVSIOFMXZKDFB-LSJOCFKGSA-N 306.322 -0.214 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cnon1 960827060 RNUYTQMFYSIDKI-INTQDDNPSA-N 305.294 -0.719 30 20 DBED O=C1NC[C@H](C(=O)NC2[C@@H]3CN(CC#Cc4ccccc4)C[C@@H]23)N1 961627308 JSVDAEFBHFTSDD-RBSFLKMASA-N 324.384 -0.234 30 20 DBED O=C(N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O)c1ccc(F)nc1 961934224 BPJIIFQCJHZVQD-OLZOCXBDSA-N 317.320 -0.064 30 20 DBED C=CCCN1C[C@@H]2C(NC(=O)c3nccnc3C(N)=O)[C@H]2C1 962506714 FFLCMNVLFFDTCK-UWVGGRQHSA-N 301.350 -0.188 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC2(CN(C(=O)CC3(O)CCC3)C2)C1 965475386 WKDOZUPPTHIKCL-LBPRGKRZSA-N 321.377 -0.109 30 20 DBED C=C(C)CN1CC[C@H](C)[C@H](NC(=O)Cn2ncn(C)c2=O)C1 967034118 RSYBKBBBHVKZNI-QWHCGFSZSA-N 307.398 -0.016 30 20 DBED CC(C)[C@@H](O)C(=O)N1CC(N2CCN(C(=O)[C@@H](C)C#N)CC2)C1 967244657 NVCGETSHJOEFHC-GXTWGEPZSA-N 322.409 -0.482 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C2CN(C(=O)[C@H]3CCOC3)C2)CC1 967245258 SLKXSEBIKOPVQU-OLZOCXBDSA-N 320.393 -0.462 30 20 DBED CCn1nc(C)cc1C(=O)N[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1O 970887084 OCOUYDVWWMTARE-XWIASGKRSA-N 319.365 -0.327 30 20 DBED O=C1C[C@@H](C(=O)NC[C@H]2CCN(C(=O)C#CC3CC3)C2)CCN1 982741721 IUJWCEIRQJFQFS-KGLIPLIRSA-N 317.389 -0.109 30 20 DBED CN1C(=O)CC[C@@H]1C(=O)N1CC(NC(=O)c2c[nH]c(C#N)c2)C1 990927560 LVLHHVMRAVQEAM-GFCCVEGCSA-N 315.333 -0.552 30 20 DBED CC(=O)N1CC(N2C[C@@H](NC(=O)c3cc(C#N)c[nH]3)CC2=O)C1 995478523 KXRIVBWGVIOQPF-NSHDSACASA-N 315.333 -0.552 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C(N)=O 996980623 RTGQVVGZVFMYCF-BNDIWNMDSA-N 321.377 -0.299 30 20 DBED C=CCn1cc(C(=O)N2CCC(N[C@H](CC)C(N)=O)CC2)nn1 997073510 GUGYTALEBVJNDM-GFCCVEGCSA-N 320.397 -0.078 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CN(C)CCO2)C1 1000004839 JTFCRZCHPSYBAN-HZSPNIEDSA-N 323.393 -0.765 30 20 DBED N#CCN1CC[C@@H](n2cc(CNC(=O)c3nc[nH]n3)nn2)C1 1000030665 RWMWIAPDBNUGCK-SNVBAGLBSA-N 301.314 -0.903 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCC1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 1004535735 LMWOKUPIKUESPR-NDBYEHHHSA-N 321.377 -0.727 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2C(CNC(=O)c3cnn(C)n3)[C@H]2C1 1009253945 HRNHNAFNYKPZOH-FBIMIBRVSA-N 302.338 -0.591 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)C1 1010836344 MTCWYSSWGDAQGJ-UTUOFQBUSA-N 318.377 -0.282 30 20 DBED C[C@@H]1CN(C(=O)CN[C@H]2CCN(C(=O)C#CC3CC3)C2)CCO1 1018830224 HIPVOJALFWYMIU-HIFRSBDPSA-N 319.405 -0.162 30 20 DBED CCn1cnc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2O)c1 1024794371 WHLAQGNGJSJRTH-HOSYDEDBSA-N 305.338 -0.636 30 20 DBED C#CCN1CC[C@@H](CNC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1 1028803463 WNDNFUKKVZMKTF-MJBXVCDLSA-N 307.394 -0.307 30 20 DBED N#CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cn([C@H]2CCOC2)nn1 1032722208 SDKBDTSPANUAFM-SRVKXCTJSA-N 302.338 -0.338 30 20 DBED CCN(C(=O)c1cnc(O)n(C)c1=O)[C@@H]1CCN(CC#N)C1 1033919000 IAOKOLJBTHZSDN-SNVBAGLBSA-N 305.338 -0.454 30 20 DBED N#Cc1cc(C(=O)NC[C@H]2CCN2Cc2nc(O)n[nH]2)c[nH]1 1038175422 OUFDVZUFNRNTLO-SNVBAGLBSA-N 301.310 -0.286 30 20 DBED N#CCN1[C@H]2CCC[C@H]1CN(C(=O)CN1C(=O)CCC1=O)C2 1039997848 WFKDEGPQBYNJEY-RYUDHWBXSA-N 304.350 -0.276 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)c2cscn2)C1 1040762459 IILQZZGVHLZFDQ-ZANVPECISA-N 308.363 -0.004 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)Cc2cnoc2)C1 1040769924 OUQNHEOFYUMIGF-HZMBPMFUSA-N 306.322 -0.544 30 20 DBED N#Cc1cncc(N[C@H]2C[C@H]3CC[C@H]2N(C(=O)C(N)=O)C3)n1 1041679616 VDNCAJPDONWEBT-DVVUODLYSA-N 300.322 -0.375 30 20 DBED C=CCCOCC(=O)N1CC(O)(CNC(=O)c2ccon2)C1 1041710810 SODWENVMXVCYGS-UHFFFAOYSA-N 309.322 -0.430 30 20 DBED C#CCN1CC[C@@]2(CCN(C(=O)CN3C(=O)CN(C)C3=O)C2)C1 1041819228 CKDHMNVEUPMIQH-MRXNPFEDSA-N 318.377 -0.562 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@H]3CCN(CC(N)=O)[C@H]3C2)c1 1042001156 UEPFASLUGKOAFO-YPMHNXCESA-N 301.350 -0.092 30 20 DBED CN(C(=O)c1cc(C#N)c[nH]1)C1CN(CCS(C)(=O)=O)C1 1042589126 FLNHDQZLMTXJCK-UHFFFAOYSA-N 310.379 -0.313 30 20 DBED CCn1nccc1C(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1042750962 YUYGOTRZCHKOCH-UHFFFAOYSA-N 316.361 -0.381 30 20 DBED C#Cc1ccc(C(=O)N(C)C2CN(Cc3nnnn3C)C2)cn1 1044205830 KELXSJBTPHCBGD-UHFFFAOYSA-N 311.349 -0.457 30 20 DBED CC#CCCCC(=O)NCC1(O)CN(C(=O)c2cnn(C)c2)C1 1045003094 MBGUWGUDWPORJN-UHFFFAOYSA-N 318.377 -0.083 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cnc(N(C)C)cn2)C1 1047381828 QUXWINXCIXABAD-KBPBESRZSA-N 317.393 -0.317 30 20 DBED C=C(C)CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CN(C)C(=O)N2)C1 1047485879 CUGJMYJYBKVHQY-AVGNSLFASA-N 310.398 -0.520 30 20 DBED C=CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C(N)=O)cn2)C1 1047645217 GZMUCMRADRRZEQ-KBPBESRZSA-N 318.377 -0.126 30 20 DBED C=CCCC(=O)N(C)[C@H]1CN(C(=O)CS(C)(=O)=O)C[C@@H]1O 1048510072 GXFSQPSYHYWALC-QWRGUYRKSA-N 318.395 -0.973 30 20 DBED N#CCN1C[C@H]2CN(C(=O)C[C@H]3CCS(=O)(=O)C3)C[C@H]2C1 1048924307 ZQBBIWHIJMWJJX-UPJWGTAASA-N 311.407 -0.275 30 20 DBED C=CCOCC(=O)N1CC[C@H]([C@@H](C)NC(=O)c2cnn[nH]2)C1 1050303012 GGZQWPYJVMEAFN-MNOVXSKESA-N 307.354 -0.026 30 20 DBED C[C@H](NC(=O)C(N)=O)[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 1050404035 MXXLSICVSBOCIK-WCBMZHEXSA-N 303.322 -0.662 30 20 DBED C#CCCN1CCOC[C@@H]1CNC(=O)[C@H]1CCN(C(C)=O)C1 1051227601 ONYLJSIQCJAEPE-GJZGRUSLSA-N 307.394 -0.305 30 20 DBED C#CCN1CCN([C@H]2CCN(C(=O)c3cn(C)cn3)C2)CC1 1052012180 FXDJQHVHLYYKPS-AWEZNQCLSA-N 301.394 -0.115 30 20 DBED C#CCN1CCN([C@H]2CCN(C(=O)[C@@]3(C)CNC(=O)C3)C2)CC1 1052056545 FLPWZBBVOPLYRC-WMLDXEAASA-N 318.421 -0.636 30 20 DBED C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1CNC(=O)CC(N)=O 1052395921 BWGDMDFJKSHTMD-KOLCDFICSA-N 317.349 -0.414 30 20 DBED C[C@H]1CN(C(=O)Cc2nc[nH]n2)C[C@@H]1CNC(=O)C#CC1CC1 1053480120 UOSHTVQARDGTEG-AAEUAGOBSA-N 315.377 -0.029 30 20 DBED C=CCOCC(=O)N1CCC[C@@](CO)(NC(=O)[C@H](C)OC)C1 1055806074 KGQZJRUFIVACMF-SWLSCSKDSA-N 314.382 -0.306 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@](CO)(NC(=O)CC(=O)N(C)C)C1 1055950968 IGARBYXYXVQYRL-ABAIWWIYSA-N 324.381 -0.906 30 20 DBED Cc1ncncc1C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N 1057082438 SCOUCJXSVFPUSQ-JTQLQIEISA-N 305.338 -0.505 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)Cc1cncn1C 1057167217 HQMDDXAQHUVXDD-UHFFFAOYSA-N 308.382 -0.134 30 20 DBED O=C(Cc1cnoc1)NCCN(CCO)C(=O)C#CC1CC1 1057537796 NADMUUOSCKRJCL-UHFFFAOYSA-N 305.334 -0.432 30 20 DBED N#Cc1cncc(N[C@H]2CCCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)n1 1057760447 SBGMCWINCPIBEB-WCQGTBRESA-N 314.349 -0.127 30 20 DBED Cn1cccc(C(=O)N2CC[C@H](N=c3cc[nH]c(C#N)n3)C2)c1=O 1058933156 MIISITPEXCJZSO-NSHDSACASA-N 324.344 -0.205 30 20 DBED N#Cc1cnc(N[C@H]2C[C@@H](NC(=O)[C@@H]3CNC(=O)N3)C2)cn1 1059802796 LNENKXJDVMLHHD-XKSSXDPKSA-N 301.310 -0.911 30 20 DBED N#Cc1cccnc1NC[C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 1060972423 KCEBIAPVSICAKV-ZYHUDNBSSA-N 314.349 -0.105 30 20 DBED C#CCO[C@H](C)C(=O)N1CCCC[C@@H]1CNC(=O)CC(N)=O 1062211003 GDJIBRMIRCLVID-VXGBXAGGSA-N 309.366 -0.603 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(NC(=O)Cn2nccn2)CCC1 1062867312 ZZIVMAZBJRDVRX-CQSZACIVSA-N 321.381 -0.240 30 20 DBED N#Cc1nccnc1NC[C@H]1CCCN1C(=O)[C@H]1CCNC1=O 1063539130 NRCDWARETVXSIT-MNOVXSKESA-N 314.349 -0.113 30 20 DBED Cn1ncc(C(=O)N[C@@H]2[C@H]3C[C@H]2N(c2nccnc2C#N)C3)n1 1064275307 SAXHDAIEVQKTCA-XXILOJSOSA-N 310.321 -0.516 30 20 DBED C=C(C)C(C)(C)C(=O)NC[C@@H]1CN(C(=O)CC(N)=O)CCO1 1065001006 KRLDIIFMNCJPOV-LLVKDONJSA-N 311.382 -0.192 30 20 DBED CC(C)C#CC(=O)N1CCO[C@H](CNC(=O)Cc2cnc[nH]2)C1 1065133300 RQEQPNNAZSJEQL-CQSZACIVSA-N 318.377 -0.045 30 20 DBED C#CCOCCC(=O)N1CCO[C@@H](CNC(=O)COCC)C1 1065150620 SCOXBHJZWBBUGA-ZDUSSCGKSA-N 312.366 -0.594 30 20 DBED C#CCOCCC(=O)N1CCO[C@@H](CNC(=O)c2cocn2)C1 1065150690 TUCDXHQJQJBEPG-LBPRGKRZSA-N 321.333 -0.328 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@H]1CN(C(=O)c2cnco2)CCO1 1065386647 ZBIGOJJCVYUNMB-IAQYHMDHSA-N 323.349 -0.041 30 20 DBED C=CCCCC(=O)N1CCO[C@@H](CNC(=O)Cn2ncnn2)C1 1065545012 GCJSWKWVGSJGMY-LBPRGKRZSA-N 322.369 -0.627 30 20 DBED CN(C(=O)c1ccc[nH]1)[C@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1065570097 MKOJOBCBBYXMTD-STQMWFEESA-N 312.333 -0.002 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCCN(C(=O)COC)CC1 1066067634 BHEDCSJUVVVXDV-GFCCVEGCSA-N 309.366 -0.730 30 20 DBED CN(CCCN(C)C(=O)Cn1ncnn1)C(=O)C#CC1CC1 1067376660 QIIZKQBYDIQXND-UHFFFAOYSA-N 304.354 -0.607 30 20 DBED N#Cc1ccc(N2C[C@H](CNC(=O)c3ccon3)[C@@H](O)C2)nn1 1067653677 NFIMSWAUZCWAFR-CABZTGNLSA-N 314.305 -0.437 30 20 DBED CN(C[C@H]1CCCN1C(=O)CC(N)=O)c1ccnc(C#N)n1 1067744160 RBXRVUUGGXDPLR-SNVBAGLBSA-N 302.338 -0.349 30 20 DBED Cn1nnc(C(=O)NCC2[C@H]3CN(c4ncccc4C#N)C[C@H]23)n1 1068192196 JEJZAGBZTODWQF-VXGBXAGGSA-N 324.348 -0.411 30 20 DBED C=CCCCC(=O)N1CC2(C[C@@H](NC(=O)CC(N)=O)CO2)C1 1068783283 AKCACBAHTLSILT-LLVKDONJSA-N 309.366 -0.296 30 20 DBED C=CCCC1(C(=O)N[C@@H]2COC3(C2)CN(C(=O)C(N)=O)C3)CC1 1069018762 XYUZPMKMYGRFKF-NSHDSACASA-N 321.377 -0.296 30 20 DBED C=C(C)CN1C[C@H](n2ccnn2)[C@H](NC(=O)c2cnn[nH]2)C1 1069965741 CUKULDALLXFHQJ-NEPJUHHUSA-N 302.342 -0.372 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2ccc(O)nn2)C[C@@H]1n1ccnn1 1070130168 USNFZHRSIYXQIC-NEPJUHHUSA-N 313.321 -0.938 30 20 DBED C[C@H]1COCC[C@H]1C(=O)N1CCC(=O)NCCN(CC#N)CC1 1070996394 RGARRPDOBIWRIQ-UONOGXRCSA-N 322.409 -0.167 30 20 DBED C#CCCN1CC[C@]2(C1)CN(C(=O)c1nnn(C)n1)C[C@H](C)O2 1071197665 WKSFVIBZIAVNHL-WFASDCNBSA-N 318.381 -0.461 30 20 DBED C#CCN1C[C@H](NC(=O)CN2CCN(C)C(=O)C2)CC[C@@H]1C 1071621681 BMNSGGYSOJBHGP-UONOGXRCSA-N 306.410 -0.637 30 20 DBED C=CCn1cc(C(=O)N2C[C@H](C)[C@@H](NC(=O)COC)C2)nn1 1072124885 GSKIWOMJYGCKRS-QWRGUYRKSA-N 307.354 -0.313 30 20 DBED C#CCOCCC(=O)N[C@H]1CN(C(=O)CCN(C)C)C[C@H]1C 1072680019 QFFZGAVNEWPBLJ-KGLIPLIRSA-N 309.410 -0.059 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(C(=O)c2cnn[nH]2)C[C@H]1C 1073820591 UTMSZMUIGGIQQA-GHMZBOCLSA-N 307.354 -0.026 30 20 DBED C#CCOCCC(=O)NCC1(O)CCN(C(=O)[C@@H](C)C#N)CC1 1074707383 ZBENQUJIAURTPD-ZDUSSCGKSA-N 321.377 -0.344 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)c2cnc3c(cnn3C)c2)C1 1077901807 GAVXPXVBELDLIE-ZIAGYGMSSA-N 313.361 -0.234 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC[C@@H](N(C)C(=O)CC(N)=O)CC1 1078896922 WEGAGEUTMQCHFX-QWHCGFSZSA-N 323.393 -0.260 30 20 DBED C=CCOCC(=O)N(CC)C1CN(C(=O)C2(C(N)=O)CC2)C1 1079491459 JKPRLIRLFSPFKP-UHFFFAOYSA-N 309.366 -0.486 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)Cn2cncn2)C1 1080587113 XDEJXVIBHCWCHG-LBPRGKRZSA-N 321.381 -0.072 30 20 DBED CC1(C(=O)N2C[C@H](O)[C@H](CNC(=O)CSCC#N)C2)CC1 1081290257 VGIREIBFDSVDDU-MNOVXSKESA-N 311.407 -0.021 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CNC(=O)OC)C1 1081305202 NFBCCXWHCZEGMG-WDEREUQCSA-N 313.354 -0.756 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)c2cnn(C)c2)C[C@@H]1O 1081333077 OLMDGDWIRRTNCF-AAEUAGOBSA-N 306.366 -0.065 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2cccnn2)C[C@@H]1O 1081345219 ZXIZGJVDEUEVQV-YPMHNXCESA-N 320.349 -0.772 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cnnn2C)C1 1081444459 JCPJYMKKOMFKLD-CMPLNLGQSA-N 307.354 -0.670 30 20 DBED CC(=O)N(C)CC(=O)N1C[C@H](CNC(=O)C#CC(C)C)[C@@H](O)C1 1081464150 WIGNWSPRXDPZLE-KBPBESRZSA-N 323.393 -0.940 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(C(=O)/C=C\C2CC2)C[C@@H]1O 1081488853 MPKXXRCEEGUMKB-JGUVHBTRSA-N 320.389 -0.072 30 20 DBED C=CCCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)Cn2nccn2)C1 1081519646 JPNDUGLQVPCWDX-CHWSQXEVSA-N 321.381 -0.430 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@H](CNC(=O)CCCC(N)=O)C1 1081578284 YVYBNOKMEFKTBG-NEPJUHHUSA-N 311.382 -0.456 30 20 DBED C=CC(C)(C)C(=O)NC[C@@H]1CN(C(=O)c2[nH]nnc2C)C[C@@H]1O 1081644489 BHHFKBPUIPNXHH-MNOVXSKESA-N 321.381 -0.126 30 20 DBED C#CCCCC(=O)N1C[C@H](CNC(=O)c2nc[nH]n2)[C@@H](O)C1 1081652617 DERQVBLKPOSMOR-QWRGUYRKSA-N 305.338 -0.843 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CCCCN1C(=O)[C@@H]1CNC(=O)N1 1082260555 ZQFAPAQDMXDYJA-STQMWFEESA-N 318.377 -0.422 30 20 DBED CN1CC[C@@H](C(=O)N2CCO[C@@H]3CN(CC#N)C[C@@H]32)CC1=O 1083123915 ZVLKNNGDSGQQTD-FRRDWIJNSA-N 306.366 -0.710 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1ncc(OC)cn1 1083138588 HADDPEKYZRFPBB-QWHCGFSZSA-N 302.334 -0.356 30 20 DBED C#CCCN1CC[C@@H]2CCN(C(=O)C[C@H]3CC(=O)NC3=O)C[C@@H]21 1085108808 WHGQOQCDCNVGGA-MCIONIFRSA-N 317.389 -0.015 30 20 DBED CCN(c1ccc(C#N)nn1)[C@H](C)CNC(=O)[C@H]1CCC(=O)N1 1089620113 JSZDFTQEIFLYKZ-ZYHUDNBSSA-N 316.365 -0.042 30 20 DBED COCc1nn(C)cc1C(=O)N[C@@H]1CCN(CC#N)C[C@H]1O 1090370826 FUWZCYLEKRQBGN-DGCLKSJQSA-N 307.354 -0.745 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CN(c2ncnc3c2cnn3C)C[C@H]1O 1090392666 YIAGEIIAVKNXBO-JMJZKYOTSA-N 315.337 -0.811 30 20 DBED CC#CCN1CC[C@H](NC(=O)C(=O)N2CCC(C)CC2)[C@@H](O)C1 1090629108 FOXXYFIEBPANKX-GJZGRUSLSA-N 321.421 -0.180 30 20 DBED CCc1nc(C#N)cc(NCCNC(=O)[C@@H]2COC(=O)N2)n1 1093577475 GFDIJNXRCXDDJK-VIFPVBQESA-N 304.310 -0.453 30 20 DBED CC(=O)N1CCC[C@H]1C(=O)NCCNc1cnc(C#N)cn1 1093782405 BAYGWFYXVJVHMY-LBPRGKRZSA-N 302.338 -0.113 30 20 DBED N#Cc1ccc(NCCNC(=O)CN2CCC(=O)NC2=O)nc1 1093859160 NUEXLIAYIFBOHY-UHFFFAOYSA-N 316.321 -0.577 30 20 DBED Cc1cc(=NCCCNC(=O)CS(C)(=O)=O)c(C#N)c[nH]1 1094323546 RHKSSZYLDTYQBG-UHFFFAOYSA-N 310.379 -0.354 30 20 DBED C#CCN1CC(n2cc(CNC(=O)c3cn(CC)cn3)nn2)C1 1094334741 ZFNIHXGHUKLHSE-UHFFFAOYSA-N 313.365 -0.086 30 20 DBED C[C@H](CC(=O)NCCCN=c1cc[nH]cc1C#N)NC(N)=O 1094594044 VUCCIMKTGIVVMM-SNVBAGLBSA-N 304.354 -0.260 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)CN3CCCC3=O)CC2=O)C1 1094701623 QDIGMAATSJLJOX-LBPRGKRZSA-N 320.393 -0.804 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)c3onc(C)c3C)CC2=O)C1 1094749298 OOGCSIDGNXXVCA-GFCCVEGCSA-N 316.361 -0.060 30 20 DBED CN(CCCNC(=O)C(N)=O)c1ccc([N+](=O)[O-])cc1C#N 1095718820 CGRIKOXPJYGTHE-UHFFFAOYSA-N 305.294 -0.106 30 20 DBED CCN(CCCNC(=O)[C@H]1CNC(=O)N1)c1nccnc1C#N 1095960210 XJSGLMKQZVEJMF-LLVKDONJSA-N 317.353 -0.638 30 20 DBED CC(=O)N(C)CC(=O)N[C@@H]1CCCN(c2cncc(C#N)n2)C1 1096169468 ZGIBPMLTYYMDTD-GFCCVEGCSA-N 316.365 -0.088 30 20 DBED N#Cc1nccnc1N[C@H](CNC(=O)[C@H]1CCC(=O)N1)C1CC1 1096597139 BUHKDGNWTXNZTN-ZYHUDNBSSA-N 314.349 -0.066 30 20 DBED C[C@H](NC(=O)CC(N)=O)[C@@H]1CCCN(c2ccc(C#N)nn2)C1 1097519011 OWDLZMXJMVJEPZ-WDEREUQCSA-N 316.365 -0.055 30 20 DBED C#CCNCc1cn([C@H]2CCN(C(=O)Cn3ccnc3)C2)nn1 1098790321 SFYSZFQACQTIJG-AWEZNQCLSA-N 313.365 -0.329 30 20 DBED CCn1cc(C(=O)N[C@@H]2CCN(CC#CCOC)C[C@H]2O)cn1 1099738000 HFUPCOHDPYIBBP-HUUCEWRRSA-N 320.393 -0.282 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCN(CC2CCC2)C[C@H]1O 1099789697 QGACNTSVTCUDTF-ZIAGYGMSSA-N 307.394 -0.523 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CNC(=O)N2CCCC2)[C@@H](O)C1 1099833525 XHJBYQSFIMVUHG-KGLIPLIRSA-N 322.409 -0.634 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)CN(C)S(C)(=O)=O)[C@@H](O)C1 1099861394 RNJPLPZNPTZWNL-RYUDHWBXSA-N 319.427 -0.995 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CCn2ccccc2=O)[C@H](O)C1 1099867530 YAPHTKZDMIISIT-HUUCEWRRSA-N 317.389 -0.187 30 20 DBED CC#CCN1CC[C@H](NC(=O)COCc2nccn2C)[C@H](O)C1 1099888328 TTXHREFRCCOXJY-UONOGXRCSA-N 320.393 -0.489 30 20 DBED COC(=O)[C@H]1C[C@H]1C(=O)NCCN(C)c1nccnc1C#N 1099961415 SDVKMDFZYCOBCF-ZJUUUORDSA-N 303.322 -0.290 30 20 DBED C=CCCCN1CC[C@H](NC(=O)CN2CC(=O)NC2=O)[C@H](O)C1 1100033419 DYQKLLRLVROHQV-NWDGAFQWSA-N 324.381 -0.944 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)Cc2cncn2C)[C@@H](O)C1 1100073492 CXGZCPVKMJOMCS-CABCVRRESA-N 322.409 -0.283 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)CN2CCCC2)[C@@H](O)C1 1100110388 VEGIDLUBBDBEMO-CABCVRRESA-N 309.410 -0.717 30 20 DBED COC[C@@]1(C(=O)NCCN(C)c2cnc(C#N)cn2)CCOC1 1100238586 LIXXCXUEQKEBLF-HNNXBMFYSA-N 319.365 -0.046 30 20 DBED CCN(CCNC(=O)c1nccnc1N)c1cncc(C#N)n1 1100477676 BBZQRSRNCHSJFI-UHFFFAOYSA-N 312.337 -0.023 30 20 DBED CCN(CCNC(=O)[C@]1(C)CCNC1=O)c1ccc(C#N)nn1 1100716421 XGSCGNQIGCQVQY-OAHLLOKOSA-N 316.365 -0.183 30 20 DBED C=CCn1cc(C(=O)NCC2CC(NCCOCCO)C2)nn1 1100739370 UWZVTOPTVVDUSF-UHFFFAOYSA-N 323.397 -0.429 30 20 DBED CCNC(=O)CC(=O)NC[C@@H]1CCCN1c1nccnc1C#N 1100832099 RHDHUOOYWJQMKE-NSHDSACASA-N 316.365 -0.041 30 20 DBED CCC(=O)NCC(=O)NC[C@H]1CCN(c2nccnc2C#N)C1 1100951591 HDMGHIOQCATKQX-LLVKDONJSA-N 316.365 -0.183 30 20 DBED C=CCNC1CC(CNC(=O)CCS(=O)(=O)N(C)C)C1 1101018213 AZRDILAXJLJLSB-UHFFFAOYSA-N 303.428 -0.062 30 20 DBED CCCN(CCNC(=O)CNC(N)=O)c1ccc(C#N)cn1 1101083791 UNWDDCGSWCLHFJ-UHFFFAOYSA-N 304.354 -0.046 30 20 DBED COCC#CCN1C[C@@H]2CN(C(=O)Cn3cnnn3)C[C@]2(C)C1 1101118528 VWACZVSMVMQKSM-HIFRSBDPSA-N 318.381 -0.897 30 20 DBED COCC#CCN1C[C@@H]2CN(C(=O)[C@H]3CCC(=O)N3)C[C@]2(C)C1 1101167441 DXQMODWNPANAST-CPUCHLNUSA-N 319.405 -0.305 30 20 DBED C#CCN1C[C@@H]2CN(C(=O)[C@@H](C)NC(=O)COC)C[C@]2(C)C1 1101247468 IJUSAQIJOJBFMH-IOASZLSFSA-N 307.394 -0.449 30 20 DBED CCc1nc(C#N)cc(NCCN(C)C(=O)[C@H]2COC(=O)N2)n1 1101572333 PUKGJIDGLQGVCY-SNVBAGLBSA-N 318.337 -0.111 30 20 DBED COC[C@]1(C(=O)N(C)CCN=c2cc[nH]c(C#N)n2)CCOC1 1101873962 KABFJHKTTSFKGY-OAHLLOKOSA-N 319.365 -0.306 30 20 DBED COC(=O)NCC(=O)N(C)[C@@H]1CCN(c2ccnc(C#N)n2)C1 1102671297 JMHFUIWWRVIRGG-SNVBAGLBSA-N 318.337 -0.259 30 20 DBED CN(C(=O)C1(C(N)=O)CC1)[C@H]1CCN(c2ccnc(C#N)n2)C1 1102755818 ICOFYYNZGDBBTE-JTQLQIEISA-N 314.349 -0.349 30 20 DBED N#Cc1c(F)cccc1N1CCO[C@H](CNC(=O)CC(N)=O)C1 1104304880 CNTKGOTUEYZHQF-SNVBAGLBSA-N 320.324 -0.106 30 20 DBED CC(C)C[C@@H](CNc1ccc(C#N)nn1)NC(=O)CNC(N)=O 1104906513 LYQAQRFSLJOSJA-NSHDSACASA-N 319.369 -0.041 30 20 DBED CN(CCN(C)c1cncc(C#N)n1)C(=O)C[C@H]1CCNC1=O 1105483313 IYZXUUFLOXOLAZ-LLVKDONJSA-N 316.365 -0.231 30 20 DBED COC[C@@H](OC)C(=O)N(C)CCN(C)c1ccnc(C#N)n1 1105562794 SUEUQWQWZQQDGN-LLVKDONJSA-N 307.354 -0.096 30 20 DBED N#Cc1nc(=NC[C@H](O)CNC(=O)c2cccc(O)n2)cc[nH]1 1105775544 IAZLEUQHYLUOOZ-VIFPVBQESA-N 314.305 -0.926 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@H](O)CNc1cc(C)nc(CO)n1 1105805938 MPAAKCCDYZTKRG-NHYWBVRUSA-N 324.381 -0.507 30 20 DBED CN(C)CCOCC(=O)NC[C@@H](O)CNc1ccc(C#N)cn1 1105903671 JMVKLZFTOWXSKJ-ZDUSSCGKSA-N 321.381 -0.580 30 20 DBED CCC[C@H](OC)C(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1 1106040616 ZPDUPKZRSHFSMQ-QWRGUYRKSA-N 307.354 -0.526 30 20 DBED C[C@@H](CCNc1ccc(C#N)nn1)NC(=O)[C@@H]1CCNC1=O 1106516707 WPTQWHFYUGZQAA-GXSJLCMTSA-N 302.338 -0.209 30 20 DBED N#Cc1cncc(NC/C=C/CNC(=O)C2(C(N)=O)CC2)n1 1107480953 YZRUSRDVRYAMAB-OWOJBTEDSA-N 300.322 -0.302 30 20 DBED N#Cc1nccnc1NC/C=C\CNC(=O)[C@H]1C[C@H]1C(N)=O 1107517717 YVULZMTZQKTTSE-SZXTZRQCSA-N 300.322 -0.446 30 20 DBED C[C@H](CNc1nccn2nnnc12)NC(=O)CSCC#N 1107653790 PXVMAAGCPNPDHK-MRVPVSSYSA-N 306.355 -0.307 30 20 DBED CC#CCN1CCO[C@](C)(CNC(=O)[C@@]2(C)CCNC2=O)C1 1108211904 YPVSBFVXCABDRM-CVEARBPZSA-N 307.394 -0.257 30 20 DBED C#CCCN1CCO[C@@](C)(CNC(=O)[C@@H]2CCCN2C(N)=O)C1 1108439322 HICVVUDCKOUXDP-BBRMVZONSA-N 322.409 -0.240 30 20 DBED CC(C)COCCC(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1 1108513309 GTWULSSWNBOVHY-CYBMUJFWSA-N 322.409 -0.026 30 20 DBED CC[C@@]1(C(=O)N[C@@H](C)CN=c2cc[nH]c(C#N)n2)CCNC1=O 1108762903 GWEXMDBFNINZKD-ZUZCIYMTSA-N 316.365 -0.397 30 20 DBED C[C@@H](CN(C)c1cnc(C#N)cn1)NC(=O)[C@H](C)CC(N)=O 1109204617 AZCLSGPAJWIOQE-ZJUUUORDSA-N 304.354 -0.199 30 20 DBED CC(C)(C)C#CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NC(N)=O 1109260294 GJAHVNDYRMIQHN-WOPDTQHZSA-N 320.393 -0.048 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H]1CNC(=O)N1 1109652575 ANRUFHOCRVNVBP-XQHKEYJVSA-N 306.366 -0.961 30 20 DBED CCS(=O)(=O)CC(=O)NCC1(Nc2ccc(C#N)nn2)CC1 1110157442 NMUDVWWCBDJISH-UHFFFAOYSA-N 323.378 -0.156 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C[C@@H]1CCOC1 1110409118 MRJCDYAXFOOERG-YJNKXOJESA-N 319.405 -0.116 30 20 DBED CCOCC(=O)N(C)[C@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1111170079 XKSPXOBRLLVZRG-RYUDHWBXSA-N 305.338 -0.607 30 20 DBED N#Cc1ccc(N2CCOC[C@H]2CNC(=O)CC(N)=O)nc1 1111679054 DLPRSKLIPUNECV-LLVKDONJSA-N 303.322 -0.850 30 20 DBED CN(CCCN(C)c1ccc(C#N)cn1)C(=O)[C@H]1CNC(=O)N1 1112168601 WONNFPVZGURNGT-GFCCVEGCSA-N 316.365 -0.081 30 20 DBED COCC(=O)NC1(CO)CCN(c2cncc(C#N)n2)CC1 1112644798 WBVWUVWNDVLQLR-UHFFFAOYSA-N 305.338 -0.558 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)Cc2cnn(C)c2)CC1 1112679028 NBGVAHSKMBEYLG-ZDUSSCGKSA-N 317.393 -0.755 30 20 DBED CCOCC(=O)NC[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1O 1112693296 ZTARJJLGUMQBCZ-ZYHUDNBSSA-N 305.338 -0.702 30 20 DBED CN(C)CCC(=O)NC[C@H]1CN(c2ccc(C#N)cn2)C[C@H]1O 1112754523 BXFXUMVKWZHPDM-UONOGXRCSA-N 317.393 -0.182 30 20 DBED C=CCOCCN1CCN(C(=O)CCS(=O)(=O)NC)CC1 1112847143 RTNQQDWMEPPTAX-UHFFFAOYSA-N 319.427 -0.728 30 20 DBED COCC#CCN1CCN(C(=O)c2cccn3nnnc23)CC1 1112885252 OAABRCBVZOPAEQ-UHFFFAOYSA-N 314.349 -0.468 30 20 DBED C#CCOCCC(=O)N[C@H](C)[C@H](C)Nc1ccc2nnnn2n1 1113165455 KVCMNANIZSTVCT-WDEREUQCSA-N 317.353 -0.136 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)C23CCN(CC2)C3)CC1 1113543793 FGTWLTHRIUXNBF-AWEZNQCLSA-N 320.437 -0.083 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)c3c[nH]c(C#N)c3)[C@@H]2C1 1114148236 CLWYTGIKMADMLG-CHWSQXEVSA-N 311.345 -0.704 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)[C@@H](C)OCC=C)[C@@H]2C1 1115332511 OPOZOEJPBNEMEY-JHJVBQTASA-N 305.378 -0.627 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1C[C@H](C)OC[C@@H]1C 1117586233 DEYDLKTXMBCBLQ-QWRGUYRKSA-N 318.395 -0.661 30 20 DBED C#CCNC(=O)C1CCN(c2nnnn2C[C@@H]2CCCO2)CC1 1119648207 XQOWPQBQTBBDJU-ZDUSSCGKSA-N 318.381 -0.182 30 20 DBED C[C@@H](CN(C)C(=O)Cn1ncnn1)Nc1ncccc1C#N 1120128764 PZNIYDFRPLMHCW-JTQLQIEISA-N 300.326 -0.101 30 20 DBED Cc1cc(CC(=O)NC[C@@H](CO)N=c2cc[nH]c(C#N)n2)no1 1121228263 DTNYZNNFRBKSHK-NSHDSACASA-N 316.321 -0.802 30 20 DBED CC[C@H](C(=O)NC[C@H](CO)Nc1cncc(C#N)n1)N(C)C 1121811845 HMQVVZFTZBHZGY-VXGBXAGGSA-N 306.370 -0.423 30 20 DBED Cc1nn[nH]c1C(=O)NC[C@@H](CO)Nc1ncc(C#N)cc1F 1122385471 MGTLOQOCGWHOTH-VIFPVBQESA-N 319.300 -0.278 30 20 DBED C[C@@H]1CC[C@H](C(=O)NC[C@@H](CO)Nc2cncc(C#N)n2)O1 1122659416 NBTNBGDDRLJETJ-ADEWGFFLSA-N 305.338 -0.195 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)[C@H]1CCCOC1 1124686727 PKXZHPSQRONWRQ-NSHDSACASA-N 312.370 -0.869 30 20 DBED C#CCCCCC(=O)NCCNC[C@@H](O)COCCOC 1125938798 KMRISIZJERMGRL-CQSZACIVSA-N 300.399 -0.090 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CCCc2c[nH]nc21 1127352734 YBKYGZFLUPGHKT-DGCLKSJQSA-N 317.393 -0.327 30 20 DBED C=C(C)CCC(=O)NCCNCC(=O)N1CCC(C(N)=O)CC1 1128413864 PDCKWZUEGIPVSM-UHFFFAOYSA-N 324.425 -0.228 30 20 DBED C=CCCCCCNCCNC(=O)Cn1ccc(=O)n(C)c1=O 1128764291 XFHGWMNLXWRALE-UHFFFAOYSA-N 322.409 -0.001 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(C[C@H](C)O)C[C@@H]1n1ccnn1 1128976121 KMBLHJVVZSBXPL-MJBXVCDLSA-N 305.382 -0.340 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CN(CCCO)C[C@@H]1n1ccnn1 1129482233 SFBVRGJMVBWEDS-MJBXVCDLSA-N 323.397 -0.407 30 20 DBED C[C@@H](O)CN[C@@H]1CN(C(=O)CSCC#N)C[C@@H]1n1ccnn1 1129604117 XHMFFHOEDSLGQL-UTUOFQBUSA-N 324.410 -0.743 30 20 DBED C#CCNC(=O)CN1C[C@H]2C[C@H]3CN(C(=O)C(C)C)C[C@@]3(C1)O2 1131181176 OAHJNJMYALBTAP-JJRVBVJISA-N 319.405 -0.307 30 20 DBED COC[C@@H](OC)C(=O)N1C[C@H]2C[C@@H]3CN(CC#N)C[C@]2(C1)O3 1131263420 BEJKSFNTWAAIHD-RGCMKSIDSA-N 309.366 -0.527 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@@H]1c2c[nH]nc2CC[C@H]1C 1131513889 NPXUARKPBKQULN-ABAIWWIYSA-N 317.393 -0.469 30 20 DBED Cc1cc(C(=O)N[C@@H]2CC[C@@H](C)N(CC(=O)NCC#N)C2)n[nH]1 1131861829 PTPRHUZIVPSOHT-VXGBXAGGSA-N 318.381 -0.059 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)c2[nH]nnc2C)CC[C@@H]1C 1132214024 AOEZGXKSIWONDP-JQWIXIFHSA-N 320.397 -0.002 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)C[C@H](C)NCc1nc(C)no1 1134131612 YZJIFKITBLUFPD-QWRGUYRKSA-N 321.381 -0.110 30 20 DBED C=CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)c1cnn(C)c1N 1134198187 UNXFRXJSYGFFAE-QWRGUYRKSA-N 322.413 -0.209 30 20 DBED C=CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)Cc1n[nH]c(C)n1 1134356191 NVECVYVRBXDQRX-QWRGUYRKSA-N 322.413 -0.169 30 20 DBED C=C(C)CN[C@H](C)C[C@@H](C)NC(=O)Cn1ccc(=O)n(C)c1=O 1134540796 LURJXPVNFOBVFU-CHWSQXEVSA-N 322.409 -0.004 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)C[C@@](C)(O)C=C)C2 1147422766 YUQOCKAAYHMMMA-INIZCTEOSA-N 319.405 -0.403 30 20 DBED C=CCNC(=O)CN1CCC2(C1)CN(C(=O)[C@H](O)C(C)C)C2 1147475309 HSZMJAYLOZSWRB-CQSZACIVSA-N 309.410 -0.160 30 20 DBED Cn1cc(CN2CCCO[C@@H](CNC(=O)C#CC3CC3)C2)nn1 1149694054 HKUAQQQXZHFZHT-HNNXBMFYSA-N 317.393 -0.064 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)c1ccnn1CC 1152992658 UUGIWJLRUCLEIK-GFCCVEGCSA-N 320.397 -0.017 30 20 DBED C=CCNC(=O)CN(CC)[C@H](C)CNC(=O)CC(=O)N(C)C 1155681637 SGNVQLRZWLYLCZ-GFCCVEGCSA-N 312.414 -0.407 30 20 DBED N#CCNC(=O)CNCCCNC(=O)c1cccc2[nH]ncc12 1163701104 ZFVGHYCXYZHWCC-UHFFFAOYSA-N 314.349 -0.088 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)COc1cnn(C)c1 1164684811 KKWPSGCECRBLBL-LBPRGKRZSA-N 321.381 -0.967 30 20 DBED O=C1NC[C@@H](C(=O)NCCCNCC#Cc2ccc(F)cc2)N1 1165467014 KRBZJCVIQJXDHU-AWEZNQCLSA-N 318.352 -0.046 30 20 DBED C=C(C)CN(CC)C(=O)CNCCCNC(=O)C1(C(N)=O)CC1 1165595853 DYERQXXOSUDVSA-UHFFFAOYSA-N 324.425 -0.228 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@@H](C)Cc1cnn(C)c1 1169593829 IHBAXSJTOKRUIF-ZDUSSCGKSA-N 321.425 -0.003 30 20 DBED C[C@H](CCCCNCC#N)NC(=O)CN1CCCS1(=O)=O 1171118809 HJBHHONKTARIIR-GFCCVEGCSA-N 316.427 -0.190 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2nc(C)c[nH]2)[C@H]1C 1179685698 JKVDUBZIOXYUCQ-RYUDHWBXSA-N 303.366 -0.340 30 20 DBED CN(C)[C@H](C(=O)N1CC[C@@H](NCC(=O)NCC#N)C1)C1CC1 1183266860 HBLPAYPEJOTCKK-OCCSQVGLSA-N 307.398 -0.843 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)COCc2ccnn2C)C1 1183568824 KHVPMZYPFPSBCV-CQSZACIVSA-N 320.393 -0.223 30 20 DBED C#CCNC[C@H]1CCN(C(=O)CCNC(=O)COC)C[C@H]1C 1184524648 SQHRSOZBXYRINW-ZIAGYGMSSA-N 309.410 -0.154 30 20 DBED C=C(C)CCN[C@@H]1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)C1 1186042229 WCOBOSUUVBVABW-GFCCVEGCSA-N 320.393 -0.146 30 20 DBED C=CCCCN[C@@H]1CCN(C(=O)CNC(=O)Cn2cncn2)C1 1188099963 PJJNZECMJLCFGZ-CYBMUJFWSA-N 320.397 -0.449 30 20 DBED C=CCNC(=O)[C@@H](C)N(C)[C@@H]1CCN(C(=O)c2ncn(C)n2)C1 1189983112 FGNZHBFBHNMURS-VXGBXAGGSA-N 320.397 -0.348 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)c2c(C)noc2C)C1 1190922257 GNVICFCWUKGPBD-CHWSQXEVSA-N 307.350 -0.284 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)CCCC(C)=O)C1 1190990547 YOCZBZMTEYADOL-CHWSQXEVSA-N 311.382 -0.791 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(Cc2nocc2C)C[C@H]1O 1192529616 FUDCDZMNLWMPHF-UMVBOHGHSA-N 309.366 -0.029 30 20 DBED COCCCNC(=O)CCC(=O)N1CC[C@@H](N(C)CC#N)C1 1193384023 ZZAZYXVJSUNBPN-CYBMUJFWSA-N 310.398 -0.024 30 20 DBED CNC(=O)NC(=O)[C@H](C)NC1CCN(C(=O)[C@@H](C)C#N)CC1 1199815630 DBXOSCTWCFBQRB-UWVGGRQHSA-N 309.370 -0.429 30 20 DBED C#CCOCCC(=O)N1CCCO[C@H](CN[C@@H]2CCNC2=O)C1 1200499846 CDVWGOSRPGMQHS-ZIAGYGMSSA-N 323.393 -0.878 30 20 DBED N#CCNC[C@H]1CN(C(=O)[C@@H]2CCc3nn[nH]c3C2)CCCO1 1201849010 RRPNYFJEHFZIQL-NEPJUHHUSA-N 318.381 -0.360 30 20 DBED C#CCNCC1CCN(C(=O)C(C)(C)NS(C)(=O)=O)CC1 1206521975 NGSSFBOJYIMXQW-UHFFFAOYSA-N 315.439 -0.224 30 20 DBED CNC(=O)NC(=O)CN1C[C@@H](NC(=O)C#CC2CC2)[C@H](C)C1 1206948556 QXTJSEFXIHSFAB-ZYHUDNBSSA-N 306.366 -0.708 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC[C@@H](NCC(=O)NC)C1 1209964168 OJMFPXDEACDDEW-ZIAGYGMSSA-N 324.425 -0.216 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)C(F)F)[C@H](OC)C1 1211741290 LIVZBAWJDAJEHT-IVZWLZJFSA-N 303.309 -0.795 30 20 DBED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)C1CCCC1 1211754612 FJPXCMXMBPXMLG-CHWSQXEVSA-N 308.382 -0.368 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)c2cnccn2)C[C@H]1C 1214068792 WUIDQQCUPXICOV-DGCLKSJQSA-N 303.366 -0.171 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)Cc2cc(C)[nH]n2)C[C@H]1C 1214425275 ZUKZLMOASSIJFH-BXUZGUMPSA-N 317.393 -0.553 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CCOC1 1217419724 AIPIDKJGOVMBNK-MELADBBJSA-N 323.393 -0.763 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)c2ccon2)C1 1219268018 SKNYXRQLAMGIAR-JLLWLGSASA-N 308.338 -0.860 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)C[C@H]2CCCCO2)C1 1219438614 UWMFXWAAZQUXHR-KFWWJZLASA-N 310.394 -0.243 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(CC(=O)NCC(C)C)C[C@@H]1O 1219539722 YHSYKCJGRMAREX-KGLIPLIRSA-N 309.410 -0.277 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C2C=CC=CC=C2)C1 1219709229 VUTJGWONKMMCPU-CABCVRRESA-N 317.389 -0.252 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)COCc2ccnc(O)c2)C1 1219876167 XPVVUDFSLSRNEZ-KGLIPLIRSA-N 319.361 -0.512 30 20 DBED COCC#CCN1CCC(NC(=O)[C@@H]2CCNC(=O)C2)CC1 1226868230 YDNJKPIACHFJPZ-CYBMUJFWSA-N 307.394 -0.257 30 20 DBED C=CCCCCNC(=O)C(=O)Nc1ccc(=O)n(CC(N)=O)c1 1261512766 ZDRNMEYDYXYSNQ-UHFFFAOYSA-N 320.349 -0.255 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)NCc2nccn2C(F)F)CCO1 1322551641 PQSKUFMXAKBHQN-QMMMGPOBSA-N 313.264 -0.355 30 20 DBED C=CCNC(=O)COC(=O)[C@@H](C)S(=O)(=O)C1CCOCC1 1322668921 XCFZWPDLYSYQJA-SNVBAGLBSA-N 319.379 -0.186 30 20 DBED C[C@H]1CN(C)C(=O)CN1C(=O)C(=O)N1CCC[C@](C)(C#N)C1 1325019678 YJHDCDXVNFRJHP-XHDPSFHLSA-N 306.366 -0.172 30 20 DBED C=CCS(=O)(=O)CCN1C(=O)[C@H]2[C@@H](O)CCCN2C1=O 1326376430 WGYCOGMTJGXSJE-VHSXEESVSA-N 302.352 -0.625 30 20 DBED CS(=O)(=O)C[C@H](C(=O)NCC(=O)NCC#N)c1ccccc1 1328384320 PWDZDZMPUCECOU-LBPRGKRZSA-N 323.374 -0.429 30 20 DBED COC(=O)[C@]1(C)CCN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)C1 1328427115 RMTPRISVAFMIAK-CABCVRRESA-N 323.349 -0.725 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCc3c[nH]nc3C2)CCO1 1328867701 YDKZMHFADJGNRB-WDEREUQCSA-N 303.322 -0.866 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)C(=O)NCCCC2(O)CCC2)C1 1329367386 BKWHOUDAQJZMLC-OAHLLOKOSA-N 309.366 -0.325 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CC[C@@](O)(C2CC2)C1)[C@@H]1CCCO1 1329626285 KUUAIWOEMHGYPX-XEZPLFJOSA-N 306.362 -0.343 30 20 DBED CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)C(=O)NCCCCC#N)O1 1329790660 DVMMXXNHTVKIFZ-NWDGAFQWSA-N 324.381 -0.452 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CCC[C@@H](OC)C2)nn1 1332042336 DONHEHWRANFSAV-GFCCVEGCSA-N 307.354 -0.282 30 20 DBED N#C[C@]1(F)CCN(C(=O)C(=O)NCC2CC3(C2)OCCO3)C1 1334508791 IVGDEOXQUOQZHT-CYBMUJFWSA-N 311.313 -0.280 30 20 DBED C=CCn1c(CCO)nnc1N1CCO[C@@H](CNC(C)=O)C1 1339880714 WGLLYRNPAVKGJT-LBPRGKRZSA-N 309.370 -0.660 30 20 DBED CCN(CC)[C@H]1CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)C1 1362348486 YUAAJSGRDUWSMZ-LBPRGKRZSA-N 319.365 -0.237 30 20 DBED Cn1ncc2c1CN(C(=O)Cn1cc(C#N)c(O)nc1=O)C2 1363016573 ZYVNBPQTXLVKLO-UHFFFAOYSA-N 300.278 -0.904 30 20 DBED C[C@H](C(=O)N1CCC(NC(=O)N(C)C)CC1)n1cnc(C#N)n1 1363299376 QGOZMTCGWHIETF-SNVBAGLBSA-N 319.369 -0.027 30 20 DBED CN(C)c1noc(CNC(=O)N2CCN(CCC#N)CC2)n1 1365385269 BDRHTOYCLUSELA-UHFFFAOYSA-N 307.358 -0.124 30 20 DBED CCNC(=O)CN(CCO)C1CCN(C(=O)[C@H](C)C#N)CC1 1375684265 DWCPHFPFQDYIMT-GFCCVEGCSA-N 310.398 -0.433 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCN(C)C(=O)[C@H]1CCCCN1C(N)=O 1391879605 BSQJRFVGOCZJJS-NWDGAFQWSA-N 323.397 -0.004 30 20 DBED Cc1ncncc1C(=O)NC[C@@]1(O)CCN(C(=O)[C@@H](C)C#N)C1 1394634160 YRCWUDOLPGQXLW-BONVTDFDSA-N 317.349 -0.362 30 20 DBED Cc1cc(C#N)nc(N(C)CCNC(=O)[C@@H]2CCC(=O)N2)n1 1396200904 PPWDTQROEDNYMZ-NSHDSACASA-N 302.338 -0.512 30 20 DBED N#Cc1ncn(CCNC(=O)N[C@@H](CCO)C(F)(F)F)n1 1413821647 YYYZTQXDWPMYAV-ZETCQYMHSA-N 306.248 -0.238 30 20 DBED COCCn1cc(C(=O)N2CC(CNC(=O)[C@H](C)C#N)C2)nn1 1416123273 ZUMHTLRFOBSCFM-SNVBAGLBSA-N 320.353 -0.728 30 20 DBED CCC(=O)NCC(=O)N1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 1427735003 IHSWEZZGFARKJV-LLVKDONJSA-N 317.349 -0.257 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1cn(C)nc1C1CC1 1433294338 LKIDSZKJXVUBTE-KOLCDFICSA-N 319.365 -0.336 30 20 DBED CCN(CCNC(=O)c1nc2ncccn2n1)C(=O)[C@H](C)C#N 1449489766 RDXNAWWXGXLXDQ-SNVBAGLBSA-N 315.337 -0.138 30 20 DBED CCCn1cc(C(=O)NC[C@H](O)CNC(=O)[C@@H](C)C#N)c(C)n1 1452378728 DJPUDVHOYFLKRX-CMPLNLGQSA-N 321.381 -0.032 30 20 DBED C[C@@H]1CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)C[C@@H]1CO 1453948639 KSESECWNQLZYEH-MWLCHTKSSA-N 306.322 -0.703 30 20 DBED CCN1CCO[C@H](C(=O)NC2(CNC(=O)[C@H](C)C#N)CC2)C1 1459100220 SSRHHDJMOXSZPH-NEPJUHHUSA-N 308.382 -0.368 30 20 DBED COC(=O)c1coc(C(=O)Cn2c(=O)[nH]cc(C#N)c2=O)c1 1459137235 LSJYQZWKJBUYNB-UHFFFAOYSA-N 303.230 -0.329 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(C[C@H]2CCS(=O)(=O)C2)C1 1494747686 YHPSMBHOLIAZRY-CHWSQXEVSA-N 316.423 -0.186 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)COCc1cccnc1 1501591501 KJOMXXYHFBEKKS-DGCLKSJQSA-N 320.349 -0.649 30 20 DBED C#CC[C@@H](NS(=O)(=O)[C@H]1CC[C@@H](C(=O)OC)C1)C(=O)O 1573303173 LEVJJEATARVOKP-KXUCPTDWSA-N 303.336 -0.276 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](C)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 1573584580 YPPRFNMZWVTWFZ-JGVFFNPUSA-N 316.325 -0.411 30 20 DBED N#CC1(NC(=O)[C@@H]2CCCN(CC(=O)O)C2=O)CCOCC1 1574480299 DHBPYCPUSPOHTA-JTQLQIEISA-N 309.322 -0.501 30 20 DBED N#Cc1nc(N[C@H]2CC[C@H](O)[C@H](O)CC2)cnc1-c1nn[nH]n1 1581880384 IFUIUWVTSZJJNR-SLGCYQGISA-N 316.325 -0.395 30 20 DBED C=CCN(C(=O)C(=O)N1C[C@H](C(=O)O)[C@@H](C(=O)OC)C1)C1CC1 1588820070 PEPVTIWZLLUFCV-QWRGUYRKSA-N 324.333 -0.504 30 20 DBED CO[C@@H]1CCOC[C@H]1Nc1cnc(C#N)c(-c2nn[nH]n2)n1 1591468184 JTCHGVZYKIVPOQ-RKDXNWHRSA-N 302.298 -0.256 30 20 DBED N#Cc1nc(N[C@@H](CO)[C@H]2CCOC2)cnc1-c1nn[nH]n1 1592707908 JLQBFVXMMWKCLJ-CBAPKCEASA-N 302.298 -0.662 30 20 DBED C[C@H]1[C@@H](C(=O)O)CCN1C(=O)C(=O)NC1CCN(CC#N)CC1 1594138713 NZHGICUKDULZGQ-JQWIXIFHSA-N 322.365 -0.588 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N1C[C@@H](C)O[C@@H](C(=O)O)C1 1596230983 FKKBXBNTYBRWCB-HBNTYKKESA-N 319.383 -0.113 30 20 DBED COC(=O)[C@@H]1CC[C@H](C(=O)O)N(C(=O)Cn2cnc(C#N)n2)C1 1598775182 SFXIXDBGFOLFOB-RKDXNWHRSA-N 321.293 -0.985 30 20 DBED C#CCCS(=O)(=O)N[C@H]1CCCCN(CC(=O)O)C1=O 1602675687 IUGJZIJAAQEQSP-JTQLQIEISA-N 302.352 -0.605 30 20 DBED N#Cc1nc(N2CCO[C@H](C(F)F)C2)cnc1-c1nn[nH]n1 1606390180 YCRNYRASTZPJPX-ZETCQYMHSA-N 308.252 -0.001 30 20 DBED COCC#CCN1[C@H]2CC[C@H]1CC(NC(=O)CNC(C)=O)C2 1752691258 QRHDISRSLRZSKP-GJZGRUSLSA-N 307.394 -0.116 30 20 DBED COC1CC(C(=O)N2CC[C@H](CNCC(=O)NCC#N)C2)C1 1752941056 WRQXOZDJTHEQKT-PNESKVBLSA-N 308.382 -0.511 30 20 DBED C=CCNC(=O)CN[C@H]1CCC[C@@H](NC(=O)c2cnn[nH]2)C1 1752973250 GMCWRDJUODOKCM-WDEREUQCSA-N 306.370 -0.263 30 20 DBED C=CCCN1CC[C@@H](CNC(=O)CNC(=O)CNC(C)=O)C1 1753128703 GCCGIEXRZFGZIK-ZDUSSCGKSA-N 310.398 -0.747 30 20 DBED CC#CCN1CC(CNC(=O)C[C@]2(C)CCS(=O)(=O)N2)C1 1753414297 HMXHHOZRJFVHFX-AWEZNQCLSA-N 313.423 -0.470 30 20 DBED CC#CCN1CC(CNC(=O)C[C@@]2(C)CCS(=O)(=O)N2)C1 1753414298 HMXHHOZRJFVHFX-CQSZACIVSA-N 313.423 -0.470 30 20 DBED N#CCNC(=O)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC1(F)F 1753422155 LEQKADHGTZKHQO-DCAQKATOSA-N 312.320 -0.043 30 20 DBED CC(C)(C)C#CC(=O)NC[C@H](O)CNC[C@@H](O)Cn1cccn1 1753911936 YAUVFKLNCNBSEM-ZIAGYGMSSA-N 322.409 -0.640 30 20 DBED COCC#CCNC[C@@H](O)CNC(=O)CCc1ccc(O)nc1 1753924948 HMFVCNXPBIPNNZ-CQSZACIVSA-N 321.377 -0.564 30 20 DBED C=C(C)CNC[C@@H](NC(=O)[C@@H](C)NS(C)(=O)=O)C1CC1 1754453026 PHGZJYCVNPDADF-ZYHUDNBSSA-N 303.428 -0.015 30 20 DBED C=C[C@@](C)(O)CC(=O)N(C)C1CN(C[C@H](O)Cn2cccn2)C1 1754574243 MKRJTKUDDFACHR-GOEBONIOSA-N 322.409 -0.286 30 20 DBED CCC[C@@H](C(=O)N1CCC[C@H]1CNCC#N)S(N)(=O)=O 1754614528 CDXXSPBVFQXSMP-QWRGUYRKSA-N 302.400 -0.452 30 20 DBED C#CCN1CC[C@@](O)(CNC(=O)c2cnc3c(c2)nnn3C)C1 1754756428 NDRYNLOKOYIALV-OAHLLOKOSA-N 314.349 -0.837 30 20 DBED C#CCN1CC(O)(CNC(=O)c2cnc3sccn3c2=O)C1 1754770657 TYSHSQBMHOFPBI-UHFFFAOYSA-N 318.358 -0.834 30 20 DBED COCC#CCN1CC(O)(CNC(=O)[C@@H](OC)C2CCC2)C1 1754771022 JJYBLYHWAHUCCZ-AWEZNQCLSA-N 310.394 -0.386 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)Cn2cc(C3CC3)nn2)CCO1 1755003465 NTIJOAKEQHSIGE-CQSZACIVSA-N 317.393 -0.004 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)c2c[nH]nc2C)C[C@@H]1C 1755114159 LWEJGEIMCCWIRR-GXFFZTMASA-N 303.366 -0.482 30 20 DBED Cc1noc(CCC(=O)N[C@@H](C)[C@@H](C)NCC(=O)NCC#N)n1 1755246331 NRFPVHDYVXABDE-ZJUUUORDSA-N 322.369 -0.567 30 20 DBED COCC#CCN[C@H](CO)CNC(=O)c1ncc(F)cc1F 1755641682 HXFHZIZAALACJA-NSHDSACASA-N 313.304 -0.310 30 20 DBED C[C@@H](CC(N)=O)C(=O)NCC1CC(NC(=O)C#CC2CC2)C1 1755934663 LFMLJVCXPHSUSG-PKSQDBQZSA-N 305.378 -0.078 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@H](CO)NC(=O)c1cccnc1C 1756515974 SHFYZCOGEBOJCU-BLLLJJGKSA-N 321.377 -0.076 30 20 DBED C=C(C)C(C)(C)C(=O)N[C@@H](CO)CNC(=O)[C@H]1C[C@H]1C(N)=O 1756550195 PUEZFJPYYVODTG-MXWKQRLJSA-N 311.382 -0.697 30 20 DBED C=C[C@](C)(O)CC(=O)N(C)C[C@H](O)CNC(=O)c1ccc[nH]1 1756660662 KPFUMRLOTPEKSS-ABAIWWIYSA-N 309.366 -0.109 30 20 DBED C#CCOCCC(=O)N(CC)[C@H](C)CNC(=O)c1cnnn1C 1756851752 QHXSHZFVVXRFON-GFCCVEGCSA-N 321.381 -0.178 30 20 DBED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3cccnn3)C2)C1 1779464293 FWUUEOARBPVUFG-HNNXBMFYSA-N 300.318 -0.447 30 20 DBED C=CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C=CCN1)C2 1800998047 OJJNMDKJDQPPEN-XFMPKHEZSA-N 305.378 -0.320 30 20 DBED C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCS(C)(=O)=O 1803265407 JRUITKORQAYIBO-ZSBIGDGJSA-N 312.391 -0.308 30 20 DBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCN(C)C)CCO2 1835391237 SIKVBSANGDITDR-INIZCTEOSA-N 323.393 -0.972 30 20 DBED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)CCC(N)=O)C2 1841603644 YYTOMJXDRDNMGK-GFCCVEGCSA-N 321.377 -0.506 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)CC(=O)NC)C2 1841608097 ZJICIKIIWAEEBS-LBPRGKRZSA-N 323.393 -0.083 30 20 DBED C[C@@H](S)C(=O)N1CC2(CCCN2C(=O)CNC(N)=O)C1 1847108938 ZARPVYBHCINJFR-MRVPVSSYSA-N 300.384 -0.824 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(C[C@H](C#N)CCC#N)c1=O 30531605 MNAXLHIYYAKMGO-LBPRGKRZSA-N 315.333 -0.013 30 20 DBED CCOCCCN/C(N)=N/C[C@H]1CCCN1S(C)(=O)=O 133933491 RHAPKEZGBFCPMD-LLVKDONJSA-N 306.432 -0.259 30 20 DBED N#C[C@@H]1COCCN1C(=O)CN1C(=O)NC2(CCCCC2)C1=O 267228686 VTTHBFOOCIPFRA-LLVKDONJSA-N 320.349 -0.008 30 20 DBED C=CCS(=O)(=O)CCNS(=O)(=O)CCCC(=O)OC 272816267 ICFGGFAMNVNCMI-UHFFFAOYSA-N 313.397 -0.540 30 20 DBED C#C[C@@H](C)NC(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1 274762669 PKKQDPUFUJJRIE-ZIAGYGMSSA-N 307.394 -0.162 30 20 DBED Cn1cccc(N=C(O)N(CCO)CCN2CCOCC2)c1=O 329936996 DLMFECULZYDEDK-UHFFFAOYSA-N 324.381 -0.443 30 20 DBED Cc1nccc(N=C(O)N(C)C[C@H](O)CN2CCOCC2)n1 330104048 GRVAYJFNWLRYEM-LBPRGKRZSA-N 309.370 -0.045 30 20 DBED Cc1nc(C#N)c(N2CCC(C(=O)N(C)C[C@H](O)CO)CC2)o1 331042443 DYJILCBNJLCZSL-LBPRGKRZSA-N 322.365 -0.117 30 20 DBED CC(C)(C)C(=O)NCCNS(=O)(=O)N1CCO[C@@H](C#N)C1 336910460 HTMLZPVNJXBYAO-JTQLQIEISA-N 318.399 -0.793 30 20 DBED Cc1noc([C@H](C)NS(=O)(=O)N2CCO[C@H](C#N)C2)n1 336927628 WTTXFLZPPPQUCI-IONNQARKSA-N 301.328 -0.502 30 20 DBED CCOC(=O)[C@H]1CCCN1S(=O)(=O)N1CCO[C@@H](C#N)C1 336954313 XNBXJJILLRFNFP-WDEREUQCSA-N 317.367 -0.517 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CCS(=O)(=O)C[C@@H]1C 337070929 OKWKWOOURABAIX-JTQLQIEISA-N 309.413 -0.414 30 20 DBED CSC[C@@](C)(O)CNS(=O)(=O)N1CCO[C@@H](C#N)C1 337095770 QNUOWDDPJRGUNM-UWVGGRQHSA-N 309.413 -0.841 30 20 DBED C=CCNC(=O)NC(=O)CN[C@@H](C1CC1)[C@@]1(CO)CCCO1 339763297 QTLYDZAKMMNVHW-ZFWWWQNUSA-N 311.382 -0.092 30 20 DBED C=C[C@@H](CO)NC(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 356852584 GMNSEQFPKZYKSX-YQPPGCHHSA-N 308.334 -0.798 30 20 DBED CCO[C@@H]1C[C@@](O)(CNC(=O)NCC(=O)NCC#N)C1(C)C 358312543 MIFPSJPGIIUTLB-QMTHXVAHSA-N 312.370 -0.509 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1CCO[C@H](COC)C1 370183266 KLCSWJBICXTIJI-LBPRGKRZSA-N 321.399 -0.560 30 20 DBED C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)N1CCOCC1 408067137 IVTWCWKRIKTYGN-NSHDSACASA-N 324.424 -0.762 30 20 DBED C[C@@H](CCN)NC(=O)C(=O)NCCOc1ccc(C#N)cc1 419463109 KRMCMINNBSXBBN-NSHDSACASA-N 304.350 -0.093 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H](CN)CCCC)C1=O 420115828 FRCCTPPIEYVWFQ-STQMWFEESA-N 324.425 -0.135 30 20 DBED N#CCCC[C@@H](N)C(=O)N1CCN(CC(=O)N2CCCC2)CC1 424130955 FWDLNFGXHFWKRL-CQSZACIVSA-N 321.425 -0.226 30 20 DBED CCN1CCN(C(=O)Cn2cnc(C#N)n2)C[C@@H]1c1ncc[nH]1 433485063 WUYDYXUDIFXFBF-LLVKDONJSA-N 314.353 -0.222 30 20 DBED C#CCN1CCN(C(=O)Cn2cnc3c(c2=O)CCC3)CC1 491743387 UKDAJQSAHVZYRX-UHFFFAOYSA-N 300.362 -0.491 30 20 DBED COCCCNC(=O)CN(C)CCCc1[nH]nc(N)c1C#N 552232671 XYLGBRRZUQWGKE-UHFFFAOYSA-N 308.386 -0.119 30 20 DBED CN(C)C(=O)N1CCN(C(=O)NCCn2cnc(C#N)n2)CC1 554295961 COTGXRYMSAIKIF-UHFFFAOYSA-N 320.357 -0.841 30 20 DBED C=CCSCCNC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1 590443782 AOCFYEUWMPQOMB-SNVBAGLBSA-N 307.441 -0.063 30 20 DBED CC(C)C[C@@H](C#N)NC(=O)c1nc(N)nc(N2CCOCC2)n1 593447161 UHZYJYUHJDTHIS-JTQLQIEISA-N 319.369 -0.042 30 20 DBED C=C[C@H](O)C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)OC(C)(C)C 597781026 SUCRAIIYDQJHHV-ZJUUUORDSA-N 319.379 -0.499 30 20 DBED C[C@@H](C#N)N(C(=O)CN1CCN(S(C)(=O)=O)CC1)C1CC1 598130253 DEFWSVNBICZXAB-NSHDSACASA-N 314.411 -0.533 30 20 DBED CCOC(=O)[C@@H]1CCCN(S(=O)(=O)NCC#CCO)C1 601456669 TUTSQWQOLMITOB-LLVKDONJSA-N 304.368 -0.908 30 20 DBED CN1CCN(C)[C@@H](CNC(=O)N2CCN(CCC#N)CC2)C1 601572927 WHZWOPGTCOCMOG-AWEZNQCLSA-N 308.430 -0.527 30 20 DBED CCOCCCCNC(=O)C(=O)N1CCN(CCC#N)CC1 602227498 NOTWLFOMXBWYST-UHFFFAOYSA-N 310.398 -0.023 30 20 DBED CC(=O)N1CCN(C(=O)[C@H](C)n2ccc(C=NO)nc2=O)CC1 749797553 XADWNKSLXFJFLP-JTQLQIEISA-N 321.337 -0.697 30 20 DBED C=C(CN(C)C)C(=O)NCCC(=O)N1CCN(C(C)=O)CC1 764500936 AWZNXCTWOGZHQC-UHFFFAOYSA-N 310.398 -0.699 30 20 DBED C[C@@H](C#N)COC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 770934583 XVBHBCZLCGFALK-QMMMGPOBSA-N 305.294 -0.863 30 20 DBED C#CCSCCNC(=O)C(=O)Nc1cccc(C(N)=O)n1 780056889 RSRNVHYVCKSMRP-UHFFFAOYSA-N 306.347 -0.398 30 20 DBED CN1C(=O)CC[C@@H]1C(=O)OCc1cc(O)n2ncc(C#N)c2n1 786180559 MYRAHWKNRGXLTG-SNVBAGLBSA-N 315.289 -0.029 30 20 DBED C#C[C@H](NC(=O)C(=O)N(C)C[C@@H](O)C(F)(F)F)[C@@H]1CCCO1 809312678 NSALTUBFPTURTD-LPEHRKFASA-N 322.283 -0.335 30 20 DBED CCN(CC)S(=O)(=O)N1CCN(C(=O)C=NOC)CC1 809569013 KXRBNTWLLHLFNI-UHFFFAOYSA-N 306.388 -0.651 30 20 DBED C=CCS(=O)(=O)NC(=O)c1nnn(-c2ccn(C)n2)c1C 815997021 XELFDUBGFFKQBK-UHFFFAOYSA-N 310.339 -0.445 30 20 DBED CCCCS(=O)(=O)NCC(=O)N[C@@H]1CCCN(O)C1=O 848135523 NXWVLDDNMPDMHR-SECBINFHSA-N 307.372 -0.798 30 20 DBED C#CC[C@@H](CO)NC(=O)CNS(=O)(=O)c1cccc(C#N)c1 857263321 QPIHRSJBLGOBNI-LBPRGKRZSA-N 321.358 -0.663 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@H](C)[C@@H](O)CC)CC1 900585798 ZKBQFLVWSSGUQX-KGLIPLIRSA-N 309.410 -0.323 30 20 DBED O=C(Cn1cnnc1O)N[C@H]1CCN(C(=O)C#CC2CC2)C1 937849667 JDOFSKFQAGGGLT-NSHDSACASA-N 303.322 -0.886 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](NC(=O)C(N)=O)[C@H](C)C1 939685218 FCGLIBJQROMMOI-KXNHARMFSA-N 309.366 -0.584 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@@H](NC(=O)c2nnc(O)nc2O)C1 941791849 GVJVDKJTBDPYEM-MRVPVSSYSA-N 321.337 -0.174 30 20 DBED C=C(C)CN1CCN(C(=O)CCc2nnc(O)nc2O)CC1 949069394 CPQKYJMHVVKGDU-UHFFFAOYSA-N 307.354 -0.064 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H]1C1CCN(C(=O)C(N)=O)CC1 953485423 IDDGVZPBTSWLNQ-CMPLNLGQSA-N 306.366 -0.139 30 20 DBED Cn1cnc2c(C(=O)NC[C@H]3CN(CC#N)C[C@H]3O)ccnc21 958399629 NGHWAODDSAXXRN-CMPLNLGQSA-N 314.349 -0.486 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2CN(CCCF)C[C@@H]2O)nn1 958470995 CLFLFVNXUJNFHX-YPMHNXCESA-N 311.361 -0.154 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2CN(CC3CC3)C[C@@H]2O)nn1 958472321 SYHHJWRHFJUNDG-JSGCOSHPSA-N 305.382 -0.103 30 20 DBED C=CCN1C[C@@H](O)[C@H](CNC(=O)c2nc3ncccn3n2)C1 958507239 NHIOOQMUUKYGKP-GHMZBOCLSA-N 302.338 -0.667 30 20 DBED C=CCN1CC[C@H](NC[C@@H]2CCCCN2C(=O)CC(N)=O)C1=O 959935278 UPARBTKBBKJCBO-STQMWFEESA-N 322.409 -0.381 30 20 DBED C#CCCN1C[C@@H]2C(NC(=O)Cc3nc4ncccn4n3)[C@H]2C1 962562368 YXONNJZPOYVWTL-RYUDHWBXSA-N 310.361 -0.264 30 20 DBED C=C[C@@](C)(CC)C(=O)N1C[C@H](O)[C@H](NC(=O)c2cn(C)nn2)C1 962694211 PBZBJEYPYQODKY-GMXABZIVSA-N 321.381 -0.281 30 20 DBED C#Cc1cncc(C(=O)N[C@H]2CN(C(=O)CC(N)=O)C[C@@H]2C)c1 966267102 XZUJLTBDTGPWTB-GWCFXTLKSA-N 314.345 -0.485 30 20 DBED Cn1nnc(C(=O)N2[C@H]3CC[C@H]2CN(C(=O)C#CC2CC2)C3)n1 969640039 LUUCYSKYMDVMTC-RYUDHWBXSA-N 314.349 -0.561 30 20 DBED C[C@@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)c1cn(C)nn1)C2 969806883 WJBVUDNANNGRJD-DCAQKATOSA-N 302.338 -0.210 30 20 DBED CC#CCN1CC([C@H](C)NC(=O)[C@@H]2CCN(C)S2(=O)=O)C1 970568698 FJBYNENXFFGENB-AAEUAGOBSA-N 313.423 -0.520 30 20 DBED CO[C@H]1C[C@H](C(=O)N2C[C@H]3CC[C@H]2CN3CC#N)N(C(C)=O)C1 971643036 PNFKGCDZPRGUBJ-CBBWQLFWSA-N 320.393 -0.179 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@]2(CN(Cc3nncn3C)CCO2)C1 972297978 OYOMDUZPANLSMP-WFASDCNBSA-N 318.381 -0.222 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)C[C@H]3CCN(C)C3=O)C2)C1 972425629 PPYQWOOXQDCHOQ-RHSMWYFYSA-N 319.405 -0.209 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)Cc3cn(CC)nn3)C2)C1 972479217 RGPNOVUIXHENPK-INIZCTEOSA-N 317.393 -0.223 30 20 DBED C=C(C)CN1CCO[C@@]2(CCN(C(=O)c3nnn(C)n3)C2)C1 972506015 HTVCNZSLOJOZDE-AWEZNQCLSA-N 306.370 -0.297 30 20 DBED CN1CCO[C@@H](C(=O)N[C@H]2[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]32)C1 976302577 AHJQIKOTAOURQP-CTASWTNQSA-N 317.389 -0.697 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)[C@@]3(C)CNC(=O)C3)[C@H]2C1 976848887 ANCNTGGMJCOFSI-BCLHGEQCSA-N 304.350 -0.755 30 20 DBED C=CCN[C@H]1CCC[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C1 981125112 QLZFZDUZQNECDF-STQMWFEESA-N 320.393 -0.250 30 20 DBED CN1C[C@@H](C(=O)NC[C@@H]2CCN(C(=O)C#CC3CC3)C2)CC1=O 982743142 VUWQZRZKJQALOG-KBPBESRZSA-N 317.389 -0.157 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H](N(C)C(=O)Cc2nc[nH]n2)C1 984598964 RQPRFSOYLHFRKV-QWRGUYRKSA-N 304.354 -0.044 30 20 DBED C[C@@H]1[C@@H](NCc2nnnn2C)CCN1C(=O)c1c[nH]c(C#N)c1 986179723 ZWXPQXOHOOGXPT-SKDRFNHKSA-N 314.353 -0.197 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)c3cnn[nH]3)C[C@@H]2C1 986371672 WMTNQUQIDXICJA-AXFHLTTASA-N 302.338 -0.115 30 20 DBED C=CCN[C@@H]1C[C@@H](C)N(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 989567710 FVBBOGIMBMNTMD-GHMZBOCLSA-N 316.365 -0.164 30 20 DBED Cc1ncc(C(=O)N[C@H]2CCN(C(=O)C#CC3CC3)C[C@H]2O)[nH]1 991340312 HHCJAPGWDPJYSL-GXTWGEPZSA-N 316.361 -0.177 30 20 DBED C#CCN1CCC[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)[C@H]1C 994297440 GKULUJWVJIKTFG-DGCLKSJQSA-N 305.382 -0.507 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)c3cnnn3CC)C2)cn1 997088919 ADQOVUURJZYSHM-UHFFFAOYSA-N 324.344 -0.071 30 20 DBED Cn1cc(C(=O)NCc2cn([C@@H]3CCN(CC#N)C3)nn2)nn1 999987805 YRJRMLRYTZIOJH-LLVKDONJSA-N 315.341 -0.893 30 20 DBED C[C@H](C#N)C(=O)N1CC(NC(=O)[C@@H]2CCCCN2C(N)=O)C1 1000218652 NTHQHDUTNSXADV-KOLCDFICSA-N 307.354 -0.594 30 20 DBED C[C@@H](C#N)C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cc1nc[nH]n1 1000661156 UOFTWQZDJKFMMA-VLEAKVRGSA-N 302.338 -0.245 30 20 DBED COc1c(O)nc(O)nc1C(=O)NCC1=CCN(CC#N)CC1 1001367234 VNIKQRVQTOCCQI-UHFFFAOYSA-N 319.321 -0.218 30 20 DBED Cn1cnc(C(=O)N2CC(CNC(=O)c3ccc(C#N)[nH]3)C2)n1 1001478027 NNQQJPSHHLRFCE-UHFFFAOYSA-N 313.321 -0.483 30 20 DBED C#Cc1ccc(C(=O)NCC2CN(C(=O)Cn3cncn3)C2)cn1 1003470950 APIXKTGBZZPZJU-UHFFFAOYSA-N 324.344 -0.457 30 20 DBED C=CCn1cc(C(=O)N(C)C2CCN([C@H](C)C(N)=O)CC2)nn1 1006104455 OVMQTHCRFZGCIX-LLVKDONJSA-N 320.397 -0.126 30 20 DBED C#CCN(C)[C@H]1CCCN(C(=O)[C@H]2CN(C(C)=O)CCO2)C1 1027666291 CUQZOFYBNLJXRE-LSDHHAIUSA-N 307.394 -0.210 30 20 DBED CN(C[C@@H]1CCN(C(=O)C#CC2CC2)C1)[C@H]1CCC(=O)NC1=O 1029735661 ROYXZWQTPLLSSA-KBPBESRZSA-N 317.389 -0.015 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCN([C@@H](C)C(=O)NC)C1 1032837162 UEHIWDSVCNCUKV-MJBXVCDLSA-N 306.410 -0.591 30 20 DBED C#CCCN1CCO[C@@H](CNC(=O)[C@H]2CCc3nn[nH]c3C2)C1 1035575223 YBRNOLLIOGTPQC-STQMWFEESA-N 317.393 -0.250 30 20 DBED C#CCCN1C[C@H]2C[C@H]1[C@H]2NC(=O)c1cc(C(N)=O)cn1C 1037487223 OAHOTLFTVMSYPL-OSMZGAPFSA-N 300.362 -0.050 30 20 DBED CC[C@@H]1CN(C(=O)c2nnc(O)nc2O)CC[C@H]1NCC#N 1037887414 DTKXMIBETPHGJB-RKDXNWHRSA-N 306.326 -0.363 30 20 DBED C=CCCC(=O)N1CC[C@@](O)(CNC(=O)Cc2nnc(C)o2)C1 1039615870 DGALQZSIAOEEDZ-OAHLLOKOSA-N 322.365 -0.034 30 20 DBED C[C@H]1[C@@H](Nc2cnc(C#N)cn2)CCN1C(=O)[C@H]1COC(=O)N1 1040112410 FRBSIBYMONLSSC-INTQDDNPSA-N 316.321 -0.142 30 20 DBED O=C(NC[C@]1(O)CCN(C(=O)C#CC2CC2)C1)[C@@H]1[C@H]2COC[C@H]21 1040616312 SKUVVXHNNNXUKP-RPCCPQHDSA-N 318.373 -0.628 30 20 DBED C=CCC(CC=C)C(=O)N1CC[C@@](O)(CNC(=O)C(N)=O)C1 1040742453 GIDOYUQYLGLDRM-OAHLLOKOSA-N 309.366 -0.680 30 20 DBED Cc1n[nH]cc1C(=O)N1CC[C@](O)(CNC(=O)[C@@H](C)C#N)C1 1040770706 UEWRNDOUVSXPBJ-XPTSAGLGSA-N 305.338 -0.429 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CN(c3cnc(C#N)cn3)C[C@H]2O)c1 1040962106 SRYQXCQKERUVFS-CHWSQXEVSA-N 323.316 -0.472 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)Cc3ncc[nH]3)C2)nc1 1041135050 MNEIPWVDEWTCPZ-VXGBXAGGSA-N 312.333 -0.415 30 20 DBED N#CCSCC(=O)NCC1(O)CN(C(=O)c2ccncc2)C1 1041568408 JSSFUQMNAFWZSN-UHFFFAOYSA-N 320.374 -0.359 30 20 DBED C#CCN1CC[C@@]2(CCN(C(=O)c3ccc(=O)n(C)n3)C2)C1 1041819102 YRTLORFBZHRWGJ-MRXNPFEDSA-N 300.362 -0.049 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)C[C@H](C)OC)C1 1042040715 XRAJNIVZSGPZRH-NSHDSACASA-N 300.355 -0.697 30 20 DBED C#CCCN1CC[C@@H]2CCN(C(=O)C3CS(=O)(=O)C3)C[C@H]21 1042075556 DGCCTDUOUHXPLA-TZMCWYRMSA-N 310.419 -0.023 30 20 DBED C#CCCN1CC[C@H]2CCN(C(=O)Cn3c(O)nnc3O)C[C@H]21 1042333133 ZLGPARZWNJMDJI-NWDGAFQWSA-N 319.365 -0.365 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(O)CN(C(=O)[C@H]2CC2(F)F)C1 1042807228 QHEBZCBMYFQVRO-BXKDBHETSA-N 318.320 -0.342 30 20 DBED C#CCCN1CC(N(C)C(=O)[C@@H]2CC(=O)N(CCOC)C2)C1 1042834448 FENANDHAPIHJHO-CYBMUJFWSA-N 307.394 -0.353 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)[C@@H]2CCCOC2)C1 1042936682 MZEFEDDQYGSIRC-CYBMUJFWSA-N 308.378 -0.238 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)[C@H]2C[C@@H](C)CO2)C1 1043033332 XHLNCVLFKOZHDR-CHWSQXEVSA-N 324.377 -0.859 30 20 DBED Cc1c[nH]nc1C(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1043929692 YUGPTKVUHBPIEU-MNOVXSKESA-N 313.321 -0.641 30 20 DBED CC#CCCCC(=O)N1CC(O)(CNC(=O)[C@H]2CCNC2=O)C1 1044456173 QBZOSYLCUZJNTH-LBPRGKRZSA-N 321.377 -0.994 30 20 DBED Cn1cc(C(=O)N2CCN([C@H]3CCN(CC#N)C3)CC2)cn1 1046001023 CIVWJDNMIOKZOT-AWEZNQCLSA-N 302.382 -0.224 30 20 DBED CNC(=O)CN1CC[C@@H](N2CCN(C(=O)[C@@H](C)C#N)CC2)C1 1046011666 FWIYDFUHDNUMAJ-QWHCGFSZSA-N 307.398 -0.889 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)[C@@H](COC)OC)C1 1046243699 LICXHEXTYHFSEV-LLVKDONJSA-N 314.382 -0.451 30 20 DBED C=C(C)CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@]2(C)CNC(=O)C2)C1 1047469563 XNGALYNATOAUOS-HEHGZKQESA-N 309.410 -0.018 30 20 DBED C=CCOCCCC(=O)N1C[C@H]2C[C@@H](NC(=O)C(N)=O)C[C@H]1C2 1047708700 QJVGVCUSVFCXQL-YNEHKIRRSA-N 323.393 -0.050 30 20 DBED C=CCOCC(=O)N(C)[C@H]1CN(C(=O)CCOC)C[C@@H]1O 1048554810 IJULIOWSEKCUOK-RYUDHWBXSA-N 300.355 -0.744 30 20 DBED C=CCN1CC[C@H](NCC[C@@H]2CCN(C(=O)CC(N)=O)C2)C1=O 1050222594 BZLDMHMVQMXIKB-OLZOCXBDSA-N 322.409 -0.523 30 20 DBED C#CCOCCC(=O)N1CC[C@@H]([C@@H](C)NC(=O)c2cnn[nH]2)C1 1050721649 RGQNTVKTBQIRMJ-VXGBXAGGSA-N 319.365 -0.189 30 20 DBED C=CCN1CCN([C@@H]2CCN(C(=O)Cn3cnnn3)C2)CC1 1051978545 VOPKMTUWZANKPS-CYBMUJFWSA-N 305.386 -0.922 30 20 DBED C#CCN1CCN([C@@H]2CCN(C(=O)Cc3cnn(C)c3)C2)CC1 1051992874 NDOIWGGPPQWDLM-MRXNPFEDSA-N 315.421 -0.186 30 20 DBED N#CCN1CCN([C@@H]2CCN(C(=O)CCn3ccnn3)C2)CC1 1052018838 RFBZSYSWAKRKLG-CQSZACIVSA-N 317.397 -0.590 30 20 DBED Cn1cc(C(=O)NC[C@H]2CCC3(CN(CC#N)C3)O2)n(C)c1=O 1053701576 YHVSGTUZUYRDED-LLVKDONJSA-N 319.365 -0.789 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)c3ncc(OC)cn3)CO2)C1 1053866361 ZBRMFIZNXBECNZ-NSHDSACASA-N 302.334 -0.309 30 20 DBED C[C@@H]1CN(C(=O)c2cnn[nH]2)C[C@H]1CN=c1cc[nH]c(C#N)n1 1054693122 JDNMWUFTVTYXOE-NXEZZACHSA-N 312.337 -0.292 30 20 DBED C#CCCCC(=O)N1C[C@H]2CN(C(=O)[C@@H]3CNC(=O)N3)C[C@H]2C1 1055310287 HAGFJBOYWOKLJE-XQQFMLRXSA-N 318.377 -0.612 30 20 DBED C[C@H](C#N)C(=O)NC1CCN(CCNC(=O)c2cnn[nH]2)CC1 1055596681 AHYINDCOGUFBTF-SNVBAGLBSA-N 319.369 -0.725 30 20 DBED N#Cc1cncc(N2CCN(C(=O)[C@@H]3CCCNC3=O)CC2)n1 1055928050 JGKGYPNSQGGSIF-GFCCVEGCSA-N 314.349 -0.477 30 20 DBED Cc1c[nH]nc1C(=O)N[C@]1(CO)CCCN(C(=O)[C@@H](C)C#N)C1 1055934316 CAOKKJLBYYYEJU-ZUZCIYMTSA-N 319.365 -0.039 30 20 DBED N#Cc1cccnc1N[C@@H]1CCN(C(=O)Cn2cnnc2O)C1 1056609326 WFSXZECVTHIBFL-LLVKDONJSA-N 313.321 -0.037 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H]1CCN(C(=O)Cn2cnnc2O)C1 1056609352 XIMLDBQLXFWLPZ-LLVKDONJSA-N 313.321 -0.615 30 20 DBED C#CCO[C@H](C)C(=O)NCCN(CCO)C(=O)c1ccco1 1056812532 GPOSBWZPCQDMFH-GFCCVEGCSA-N 308.334 -0.131 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)[C@H]1CCOC1 1057194001 WMJLUGHGABIOBA-LBPRGKRZSA-N 300.355 -0.837 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)c1ccsn1 1057198178 RGSZJWOCVSCGQK-UHFFFAOYSA-N 313.379 -0.104 30 20 DBED C#CCNC(=O)CC(=O)NCCN(CCO)C(=O)/C=C\C1CC1 1057267851 JLECZOQKDCMBDL-WAYWQWQTSA-N 321.377 -0.971 30 20 DBED Cc1ccnc(C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N)n1 1057463998 AMDIUWROMDLBPT-JTQLQIEISA-N 305.338 -0.505 30 20 DBED Cc1nn[nH]c1C(=O)NCCN(CCO)C(=O)C#CC(C)C 1057525431 SWQQGUYQFCFHGL-UHFFFAOYSA-N 307.354 -0.677 30 20 DBED CCCC(=O)NCC(=O)NCCN(CCO)C(=O)C#CC1CC1 1057531438 OKBRBRZOMPAMBU-UHFFFAOYSA-N 323.393 -0.747 30 20 DBED C=CCO[C@H](C)C(=O)N(CCO)CCNC(=O)COC(C)C 1057921520 JPMKHDBYHAYKCW-CYBMUJFWSA-N 316.398 -0.060 30 20 DBED CC(=O)N1CC(C(=O)N[C@H]2CCN(c3ccnc(C#N)n3)C2)C1 1058336521 YEWVPVHJQYMZAW-LBPRGKRZSA-N 314.349 -0.479 30 20 DBED CCc1cc(C(=O)NCCN(CCO)C(=O)[C@H](C)C#N)n(C)n1 1058654718 GHEHQVMMXOJLQE-LLVKDONJSA-N 321.381 -0.307 30 20 DBED N#Cc1cnc(N[C@H]2CCN(C(=O)[C@H]3CCNC3=O)C2)cn1 1059020035 PXNWOLSZOYFHJL-ONGXEEELSA-N 300.322 -0.503 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H]1CCN(C(=O)COCC)C1 1059079167 FBODXTYEYXILIQ-ZDUSSCGKSA-N 323.393 -0.483 30 20 DBED N#Cc1cncc(N[C@H]2C[C@@H](NC(=O)[C@H]3CCC(=O)N3)C2)n1 1059586766 XTQZHLCPLNVCLB-WCABBAIRSA-N 300.322 -0.314 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCC2(CC1)CN(C(=O)CC(N)=O)C2 1060959942 VZDKVFYHLOWKNU-LBPRGKRZSA-N 323.393 -0.096 30 20 DBED C=CCOCC(=O)NC[C@H]1COCCN1C(=O)C#CC1CC1 1061424430 UKEHVWXVBMFDIX-AWEZNQCLSA-N 306.362 -0.054 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H]1COCCN1C(=O)CSC 1061580665 CVVVMYYYMHVWOF-RYUDHWBXSA-N 314.407 -0.269 30 20 DBED C=C(C)CCC(=O)N1CCOC[C@H]1CNC(=O)Cn1ncnn1 1061608330 GCAZXPCMVQRISA-GFCCVEGCSA-N 322.369 -0.627 30 20 DBED Cn1nnc(C(=O)NC[C@@H]2CCN(c3ccc(C#N)nc3)C2)n1 1061705939 LWSCULFRFMJZIH-JTQLQIEISA-N 312.337 -0.267 30 20 DBED C#CCCCCCC(=O)NC[C@@H]1COCCN1C(=O)C(N)=O 1061755613 NIMKLYLYIDFKAP-GFCCVEGCSA-N 309.366 -0.601 30 20 DBED C=CCCC(=O)N1CCOC[C@@H]1CNC(=O)c1nnn(C)n1 1061778623 SNNHOBYWDJPRMI-JTQLQIEISA-N 308.342 -0.867 30 20 DBED C=C[C@@H](CC)CC(=O)NC[C@H]1COCCN1C(=O)CC(N)=O 1061797783 QGUOMEZKKCKSTK-RYUDHWBXSA-N 311.382 -0.192 30 20 DBED CC(C)C#CC(=O)N1CCOC[C@@H]1CNC(=O)Cc1cnc[nH]1 1061931351 HBXDYYIITYVPBY-AWEZNQCLSA-N 318.377 -0.045 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)C2CC(=O)NC(=O)C2)CCC1 1064307025 WGELGJGQDOGKJE-VIFPVBQESA-N 320.349 -0.646 30 20 DBED COCCC(=O)NC[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCO1 1065019968 ANCRWJUPKBHLEE-GFCCVEGCSA-N 320.349 -0.120 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCO[C@@H](CNC(=O)c2cocn2)C1 1065096281 BYUFOOZHHCFATE-NHYWBVRUSA-N 323.349 -0.041 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)CN2CCCC2=O)C1 1065557701 ULYRQBGDZQHLJX-RYUDHWBXSA-N 322.365 -0.888 30 20 DBED Cn1cnc(C(=O)N2C[C@@H]3CN(c4ccc(C#N)nn4)C[C@@H]3C2)n1 1065999336 NUXVAAHDSNNOJD-PHIMTYICSA-N 324.348 -0.315 30 20 DBED CC(C)C#CC(=O)N[C@H]1CCCN(C(=O)Cn2ncnn2)CC1 1066147335 HYDIDKRFXYZLQB-ZDUSSCGKSA-N 318.381 -0.170 30 20 DBED C[C@H]1CN(C(=O)Cn2cncn2)C[C@H]1N=c1cc[nH]cc1C#N 1067098230 DSWRUTDVDLHXAM-SMDDNHRTSA-N 311.349 -0.074 30 20 DBED C[C@@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1Nc1cnc(C#N)cn1 1067148026 CDXMUTAPEIOHFX-KOLCDFICSA-N 313.325 -0.706 30 20 DBED C=C[C@@H](C)[C@H](C)C(=O)N1CCOC2(CN(C(=O)C(N)=O)C2)C1 1068436691 PHGSHNRRTPNAMZ-MNOVXSKESA-N 309.366 -0.630 30 20 DBED C=CCC(C)(C)C(=O)N1CC2(CN(C(=O)C(N)=O)CCO2)C1 1068449009 XSMHQSDAEACSPW-UHFFFAOYSA-N 309.366 -0.486 30 20 DBED CN(C(=O)[C@H]1CNC(=O)N1)C1CC(Nc2nccnc2C#N)C1 1069792458 RVECSJMNYWDIJP-NWGYLPEXSA-N 315.337 -0.569 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCCN(C(=O)c2cc[nH]n2)C1 1070460742 XLQREXOJOFFSCB-LLVKDONJSA-N 317.349 -0.730 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCC[C@@H](NC(=O)c2cnnn2C)C1 1070667588 KOBMYUQIBSHYMZ-ABAIWWIYSA-N 321.381 -0.137 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)CCn4cncn4)C[C@@]3(C1)O2 1070761294 PQDJKRXPCSEYOD-SQWLQELKSA-N 315.377 -0.397 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CCCN(C(=O)Cn2nccn2)C1 1070791763 USHYIPLNKGQLHW-QWHCGFSZSA-N 321.381 -0.024 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)[C@]4(C)CCNC4=O)C[C@@]3(C1)O2 1070853518 GSMOGIQMSYUQIX-NSNWQYSKSA-N 317.389 -0.553 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)[C@@H]2CO[C@H](C)C2)CC1 1070976615 KENMHLLNBCPCQM-KGLIPLIRSA-N 307.394 -0.305 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCCN(C(=O)c2[nH]nnc2C)C1 1071062851 UGTANHWWXWAPJI-GFCCVEGCSA-N 319.365 -0.126 30 20 DBED CC(C)C#CC(=O)N[C@H]1CN(C(=O)Cn2cnnn2)C[C@H]1C 1071556739 LTOPGBIDYNMAAE-NEPJUHHUSA-N 304.354 -0.704 30 20 DBED C[C@H]1CN(C(=O)C#CC(C)(C)C)C[C@@H]1NC(=O)CNC(N)=O 1072060313 NXUSSKPXIAOMRH-QWRGUYRKSA-N 308.382 -0.333 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](NC(=O)C(F)F)[C@H](C)C1 1073609699 NITMHRIZHFNLRE-NXEZZACHSA-N 315.320 -0.256 30 20 DBED CC#CCN1CCCO[C@@H](CNC(=O)[C@H]2CCC(=O)NC2)C1 1073671759 DPRCIXCTQVZLFR-KBPBESRZSA-N 307.394 -0.257 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(C(=O)c2nc[nH]n2)C[C@@H]1C 1073819861 KRDGKWJPUHNELA-QWRGUYRKSA-N 307.354 -0.026 30 20 DBED CC#CCN1CCO[C@@H]2CCN(C(=O)CN3CCCC3=O)C[C@@H]21 1074161004 YDHHTNPRFQFDPK-LSDHHAIUSA-N 319.405 -0.066 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)c3ccc(=O)n(C)c3)C[C@H]21 1074284725 RICASLXFCCGHDT-CABCVRRESA-N 315.373 -0.066 30 20 DBED C#CCCN1CCO[C@H]2CCN(C(=O)Cc3nc[nH]n3)C[C@H]21 1074380756 UCVQCRLUKUPFCW-OLZOCXBDSA-N 303.366 -0.328 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H](C)CCNC(=O)CNC(=O)NC 1076901423 FMFMDIUXQSORSL-QWRGUYRKSA-N 314.386 -0.483 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CN3CC4CC3(CO2)C4)C1 1077418511 SBNQDGIUGYYBLD-VXSWHIBVSA-N 319.405 -0.966 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)Cc2cc(CC)nn2C)C1 1077423926 XHHBHOILOHSEDC-HUUCEWRRSA-N 304.394 -0.290 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2cccc(NC(=O)NC)c2)C1 1078003874 COBBRNLIMPPZLA-ZIAGYGMSSA-N 316.361 -0.154 30 20 DBED C[C@@H](CCNC(=O)[C@H](C)C#N)NC(=O)CCn1cnccc1=O 1078136357 KPGIEDUSSIAGLZ-NEPJUHHUSA-N 319.365 -0.196 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)Cn2c(C)c(C)sc2=O)C1 1078226690 NOLFTNHKRPUWRL-CHWSQXEVSA-N 323.418 -0.289 30 20 DBED C[C@@H](C#N)C(=O)N1CCc2ccccc2[C@@H]1CNC(=O)C(N)=O 1079126617 JADMMJIWEIUEJQ-GWCFXTLKSA-N 314.345 -0.126 30 20 DBED CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)C[C@@H]2CCNC2=O)C1 1080415790 DLDNGRBCYHKAHN-QWRGUYRKSA-N 306.366 -0.268 30 20 DBED C=CCC(CC=C)C(=O)NC1(CO)CCN(C(=O)C(N)=O)CC1 1080871339 SXHWAXGWMJKJKR-UHFFFAOYSA-N 323.393 -0.290 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2cnccn2)C1 1081205102 OWNSFTSZTUHWEJ-DGCLKSJQSA-N 304.350 -0.008 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@H](CNC(=O)CSCC#N)C1 1081287052 RYLKOYSJZRPKCS-OLZOCXBDSA-N 323.418 -0.018 30 20 DBED C=CCOCC(=O)N1C[C@H](CNC(=O)c2cn[nH]c2)[C@@H](O)C1 1081295110 MMSKZZBWHHBPPT-RYUDHWBXSA-N 308.338 -0.839 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)Cc2cc[nH]n2)C[C@@H]1O 1081347718 ZKVKKDFOJLFTOX-AAEUAGOBSA-N 322.365 -0.910 30 20 DBED C#CCOCCC(=O)N1C[C@H](O)[C@H](CNC(=O)/C=C\C2CC2)C1 1081382968 QQWKNSFVKSXWCE-JGUVHBTRSA-N 320.389 -0.072 30 20 DBED Cc1cc(C(=O)N2C[C@H](CNC(=O)C#CC(C)C)[C@@H](O)C2)n[nH]1 1081464275 XTLUIOTWCAPMKD-JSGCOSHPSA-N 318.377 -0.073 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)Cc2cnc[nH]2)C[C@H]1O 1081465039 AIEMHTPUWUZLGZ-GXTWGEPZSA-N 318.377 -0.453 30 20 DBED CC(C)(C)C#CC(=O)N1C[C@H](CNC(=O)c2cnn[nH]2)[C@@H](O)C1 1081590849 XQUOUZVLSRHLBI-JQWIXIFHSA-N 319.365 -0.597 30 20 DBED CCCN(C)CC(=O)NC[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1081634777 MHLXTDQOIIJMDN-HUUCEWRRSA-N 321.421 -0.323 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@H]1CCc2cncn2C1 1081870587 DWVRWOYHRBXKME-IACUBPJLSA-N 303.366 -0.216 30 20 DBED CC#CCN1C[C@@H](NC(=O)c2coc(C(N)=O)c2)[C@H](OC)C1 1081980887 IDTBCAUNKJBDDG-DGCLKSJQSA-N 305.334 -0.169 30 20 DBED CC#CCN1C[C@@H](NC(=O)[C@H]2CCCS2(=O)=O)[C@H](OC)C1 1082378803 WQNUFXLEXCCHGL-JHJVBQTASA-N 314.407 -0.598 30 20 DBED C=C(C)CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CN(C)C(=O)N1 1083162823 IOMPKBVUWUAONS-MELADBBJSA-N 322.409 -0.112 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2cn3c(n2)C[C@@H](OC)CC3)C1 1083564215 SHKNJTAWRMIOOA-SCRDCRAPSA-N 318.377 -0.748 30 20 DBED C#CCCN1CC[C@@H]2CN(C(=O)CN3CC(=O)N(C)C3=O)[C@@H]2C1 1084773011 YLXVKCJAJOMKQC-CHWSQXEVSA-N 318.377 -0.564 30 20 DBED CC[C@@H]1[C@@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)CCN1CC#N 1087818497 WCBABCHDRZRTHS-WDEREUQCSA-N 321.381 -0.191 30 20 DBED CN1CCN(CC(=O)N2C[C@H]3CCN(CC#N)C[C@H]3C2)CC1=O 1088019039 ULBFRPGKSRWRFX-KGLIPLIRSA-N 319.409 -0.936 30 20 DBED C[C@@H]1[C@@H](NC(=O)c2ccc(S(N)(=O)=O)o2)CCN1CC#N 1088702167 GNHLHDJCPHYNBA-BDAKNGLRSA-N 312.351 -0.357 30 20 DBED C#CCN1C[C@H](NC(=O)[C@@H]2CCC(=O)N2)CC2(CCOCC2)C1 1089964883 QWHJSMBZJFZGKI-KGLIPLIRSA-N 319.405 -0.115 30 20 DBED CC(C)(C)n1nnc(CC(=O)N[C@H]2CCN(CC#N)C[C@@H]2O)n1 1090294129 XBORSYPIDYWJTC-QWRGUYRKSA-N 321.385 -0.954 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2cc3n(n2)CCO3)[C@@H](O)C1 1090326301 HVKJDLWOEVJDRP-AAEUAGOBSA-N 304.350 -0.536 30 20 DBED C#CCCN1CC[C@H](NC(=O)C2CCN(C(C)=O)CC2)[C@H](O)C1 1090797065 SZBRJIWAMDSIIZ-JKSUJKDBSA-N 321.421 -0.180 30 20 DBED CO[C@@H]1CN(c2ccncc2C#N)C[C@H]1NC(=O)CNC(C)=O 1090856832 QGSIWBURVGPNOA-TZMCWYRMSA-N 317.349 -0.591 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@@H]1O 1091149670 CXKKQDHHOJBVEO-KGLIPLIRSA-N 314.345 -0.341 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1C[C@@H](Nc2nccn3nnnc23)C1 1091323582 JLKSOXOFCSJKDA-BBBLOLIVSA-N 300.326 -0.014 30 20 DBED CNC(=O)C1(C(=O)N2CCN(c3nccnc3C#N)CC2)CC1 1093165023 HLROBKDATWBADG-UHFFFAOYSA-N 314.349 -0.477 30 20 DBED C[C@H](CC(N)=O)C(=O)N1CCN(c2ccc(C#N)nn2)CC1 1093194272 FHPYMZLTUFGUHI-SNVBAGLBSA-N 302.338 -0.492 30 20 DBED C=CCN1C[C@@H]2CC[C@H](C1)N2C1CCN(C(=O)C(N)=O)CC1 1093488078 DDYVBMUKZMSQGT-OKILXGFUSA-N 306.410 -0.203 30 20 DBED CCc1nc(C#N)cc(NCCNC(=O)CCNC(=O)NC)n1 1093591054 GHTQGAIYLSITBP-UHFFFAOYSA-N 319.369 -0.242 30 20 DBED Cc1cc(=NCCNC(=O)[C@H]2CCC(=O)NC2)c(C#N)c[nH]1 1094257096 CUKAPHQRAYBPEP-NSHDSACASA-N 301.350 -0.262 30 20 DBED CC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H]1CCS(=O)(=O)N1 1096566024 QVLRCHSIVFPQGL-NDBYEHHHSA-N 311.407 -0.577 30 20 DBED C[C@H](CNC(=O)Cn1c(O)nnc1O)Nc1ncccc1C#N 1097976618 MVXMXRVDXOWONR-MRVPVSSYSA-N 317.309 -0.427 30 20 DBED C[C@H](CNC(=O)C(=O)NCC1CC1)N=c1cc[nH]cc1C#N 1098012681 NHTPTYAVKGYVRH-SNVBAGLBSA-N 301.350 -0.182 30 20 DBED Cn1c(C(=O)N2CCC(N(CC#N)CCO)CC2)cccc1=O 1098475589 MVRKLMTUECFQTJ-UHFFFAOYSA-N 318.377 -0.192 30 20 DBED N#CCNCc1cn([C@H]2CCN(C(=O)c3cnsn3)C2)nn1 1098626119 LPVLDLJAQOJPOF-JTQLQIEISA-N 318.366 -0.170 30 20 DBED C#CCNCc1cn([C@H]2CCN(C(=O)c3[nH]nnc3C)C2)nn1 1098698337 STZSFGZLNZDDSK-LBPRGKRZSA-N 314.353 -0.485 30 20 DBED C=CCCN1CC[C@H](NC(=O)CS(=O)(=O)N(C)C)[C@@H](O)C1 1100092970 VNTNDUNDWDDRTM-RYUDHWBXSA-N 319.427 -0.995 30 20 DBED C#CCN1C[C@@H]2CN(C(=O)CN(C)C(=O)COC)C[C@]2(C)C1 1101257923 SZTDJLZLNGSLQL-CJNGLKHVSA-N 307.394 -0.495 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)[C@@H]2CCCN2C)C1 1101815707 PONUAVGUMLVNHW-KFWWJZLASA-N 320.437 -0.486 30 20 DBED CC(C)N(CCCNC(=O)CNC(N)=O)c1cnc(C#N)cn1 1102077439 JYDPPEVCRQEUOG-UHFFFAOYSA-N 319.369 -0.262 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1CNC(=O)c1cnon1 1102474477 XCGSPZVSEQZETM-NXEZZACHSA-N 306.326 -0.993 30 20 DBED CCCN(C)CC(=O)NC[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1102524352 BESRRUXAUANMAE-ZIAGYGMSSA-N 323.441 -0.348 30 20 DBED C#CCCN1C[C@@H](C)[C@H](CNC(=O)CS(=O)(=O)N(C)C)C1 1102537520 VTMXQIGHYJYOJE-CHWSQXEVSA-N 315.439 -0.415 30 20 DBED COC[C@H](OC)C(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(C#N)n1 1102571345 RGRYLDJASOYWJO-AVGNSLFASA-N 317.349 -0.201 30 20 DBED CC(=O)N(C)CC(=O)NC[C@H](C)CNc1ccc(C#N)nn1 1103876848 XCAHPSRIJVPTNZ-SNVBAGLBSA-N 304.354 -0.009 30 20 DBED CCc1nc(C#N)cc(NC[C@@H](C)N(C)C(=O)CNC(N)=O)n1 1104453171 UPWSSUZBVYLYDA-SECBINFHSA-N 319.369 -0.162 30 20 DBED N#Cc1nc(=NC[C@@H](O)CNC(=O)[C@@H]2CCCOC2)cc[nH]1 1105741389 FKHAHLYWWMLCGC-GHMZBOCLSA-N 305.338 -0.914 30 20 DBED N#Cc1cnc(NC[C@@H](O)CNC(=O)C[C@@H]2COC(=O)C2)cn1 1105819058 ASUWMZNYLQQCQM-GXSJLCMTSA-N 319.321 -0.810 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)CCOCC#C)C[C@H]1C 1106115612 ZDRXMEFLPYEKPX-HUUCEWRRSA-N 319.405 -0.540 30 20 DBED C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H](CNCC(N)=O)C2)c1 1106650938 LKYYFMJEOZYZRH-BXUZGUMPSA-N 300.362 -0.154 30 20 DBED C=CCN1CC(n2cc(CNC(=O)CO[C@@H]3CCOC3)nn2)C1 1107172892 QBJSJUYXRBHHLH-CQSZACIVSA-N 321.381 -0.258 30 20 DBED N#Cc1nc(=NC/C=C\CNC(=O)C[C@H]2CCNC2=O)cc[nH]1 1107375034 MNVWRZHKBOPKFA-RFMOXSJOSA-N 314.349 -0.619 30 20 DBED C[C@H](CC(N)=O)C(=O)NC/C=C/CNc1ccc(C#N)nn1 1107451501 LNSWHKOSPYKJAR-VMZHVLLKSA-N 302.338 -0.056 30 20 DBED N#Cc1nccnc1NC/C=C\CNC(=O)[C@H]1CNC(=O)N1 1107489578 DUPMYPXFBXZTTF-JWXWKVPASA-N 301.310 -0.886 30 20 DBED C[C@H](CNc1nccnc1C#N)NC(=O)[C@H]1CN(C)CCO1 1107666585 CGJGJJUJGVTTCO-ZYHUDNBSSA-N 304.354 -0.405 30 20 DBED CC#CCN1CCO[C@@](C)(CNC(=O)CN2CCCC2=O)C1 1107729026 CYQGBQNGMBRARR-INIZCTEOSA-N 307.394 -0.161 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)CCN1CCOCC1 1107834622 MDJXSRMNAZMBAF-GFCCVEGCSA-N 318.381 -0.591 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)[C@H](C)N2C(=O)CCC2=O)C1 1107983042 FVXYQTRBZCJCMJ-LRDDRELGSA-N 321.377 -0.636 30 20 DBED C=CCNC(=O)CN1CC(N2C[C@@H](NC(=O)CCC)CC2=O)C1 1108496658 POKWSENNWUPRTM-LBPRGKRZSA-N 322.409 -0.510 30 20 DBED COCC#CCN1CC(N2C[C@H](NC(=O)[C@H](C)C#N)CC2=O)C1 1108527450 JHHUNYKTMYYKEZ-CHWSQXEVSA-N 318.377 -0.803 30 20 DBED CN(CCCN=c1cc[nH]c(C#N)n1)C(=O)c1cnnc(O)c1 1109546253 MRGUTQBGRLNJNH-UHFFFAOYSA-N 313.321 -0.160 30 20 DBED CC(=O)N[C@H](C)C(=O)NCC1(Nc2cnc(C#N)cn2)CC1 1110056360 RKDGFLFIAINHRQ-SECBINFHSA-N 302.338 -0.066 30 20 DBED C=CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H](CCC(N)=O)NC(C)=O 1111152103 OSNLQWGYHCVDJQ-RQJABVFESA-N 322.409 -0.336 30 20 DBED CS(=O)(=O)CC(=O)NCC1(Nc2nccnc2C#N)CCC1 1111759402 PEPCILXPTUIFJJ-UHFFFAOYSA-N 323.378 -0.156 30 20 DBED C#CCCN[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)C[C@H]1C(F)(F)F 1112154618 VAERQCBAEIZLJC-KXUCPTDWSA-N 318.299 -0.330 30 20 DBED CC(=O)NCC(=O)N1C[C@@H](C)[C@@H](N=c2cc[nH]cc2C#N)C1 1112295547 MNXHDQWYNMALOY-YGRLFVJLSA-N 301.350 -0.230 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(c2ncc(F)cn2)C[C@@H]1O 1112702410 RHBQOSOOEZPHGH-JQWIXIFHSA-N 310.329 -0.268 30 20 DBED N#Cc1nccnc1N1C[C@H](O)[C@H](CNC(=O)C#CC2CC2)C1 1112719786 DDQONPDYTRDEFW-OCCSQVGLSA-N 311.345 -0.325 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(c2ccnc(C#N)n2)C[C@H]1O 1112720332 ILPIUQMETKGLOB-QWHCGFSZSA-N 313.361 -0.079 30 20 DBED C#CCO[C@H](C)C(=O)N1CCN(CCNC(=O)NC(C)C)CC1 1112846332 LUIJJQMJXDUWNG-CQSZACIVSA-N 324.425 -0.124 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)C(C)(C)N(C)CC)CC1 1113033013 VLISVOZKEIRKEC-CQSZACIVSA-N 322.453 -0.001 30 20 DBED C[C@@H](c1nnnn1C)N1C[C@H]2[C@H](NC(=O)CSCC#N)[C@H]2C1 1113896511 CMJPNFHRIJEELW-UXCLJVHYSA-N 321.410 -0.426 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)CCOC(C)C)[C@H]2C1 1113896544 DAHRCIXOAHFQSS-TTZDDIAXSA-N 321.421 -0.014 30 20 DBED CCOCCNC(=O)CN1C[C@H]2C(NC(=O)[C@H](C)C#N)[C@@H]2C1 1114064613 SZRWWFDXTXWRJJ-IJLUTSLNSA-N 308.382 -0.655 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1[C@@H]2CN(CC(=O)Nc3nncs3)C[C@@H]21 1114066444 CJEIHALSLHZRLI-WYOJIJJFSA-N 320.378 -0.317 30 20 DBED Cc1nsc(N2C[C@H]3[C@H](CNC(=O)CC(N)=O)[C@H]3C2)c1C#N 1114546816 KKRAXSUJQOYVQA-RTCCRHLQSA-N 319.390 -0.003 30 20 DBED C=CCN1CC[C@H](N2C[C@H]3[C@H](NC(=O)CCN(C)C)[C@H]3C2)C1=O 1114778121 FPPOAVYKZBBXLN-KNCOVGOOSA-N 320.437 -0.229 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)Cn3ccnc3)[C@H]2C1 1115341823 LNDCRRBXJYVGKC-RYUDHWBXSA-N 303.366 -0.768 30 20 DBED C#CCOCCNC(=O)C(=O)Nc1ccc(-n2cncn2)nc1 1116561309 RQXUMIHGOKJZDC-UHFFFAOYSA-N 314.305 -0.633 30 20 DBED C#C[C@@H](NC(=O)C(=O)NCCC(=O)NC(C)C)[C@@H]1CCCO1 1117528562 JETZDNOSWFDPKR-NEPJUHHUSA-N 309.366 -0.686 30 20 DBED C=C(CC)CNC(=O)C(=O)N[C@H]1CCN(S(C)(=O)=O)C1 1118297037 JFEWEPXKMYCYQO-JTQLQIEISA-N 303.384 -0.781 30 20 DBED C[C@@H]1C(=O)N(C)CCN1C(=O)C(=O)N1CCC[C@@H](CC#N)C1 1118508525 FGOVVKNGTCCLIL-NEPJUHHUSA-N 306.366 -0.172 30 20 DBED CC(=O)NCC(=O)N1CCCN(C(=O)NCCCC#N)CC1 1118863440 REJQXBODPQYBHX-UHFFFAOYSA-N 309.370 -0.330 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N(C)Cc2ncc[nH]2)C1=O 1118951186 SIZJNJNBTWAUKZ-LLVKDONJSA-N 319.365 -0.387 30 20 DBED C#CCSCCn1nnnc1N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)OC 1120077238 PWYTWBFUDATKRI-URLYPYJESA-N 307.379 -0.105 30 20 DBED CCCC(=O)NCC(=O)NC[C@@H](CO)Nc1cncc(C#N)n1 1121160395 ZDBLGJXAXZSZGD-NSHDSACASA-N 320.353 -0.846 30 20 DBED CC(C)(C(N)=O)C(=O)NC[C@H](CO)Nc1ccc(C#N)cn1 1122197483 FFZQHJQCUHYZIA-SNVBAGLBSA-N 305.338 -0.646 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CCCN(c2nccnc2C#N)[C@H]1C 1123516185 ZUGCCRGKSPZZBF-CMPLNLGQSA-N 316.365 -0.042 30 20 DBED CN(C[C@H](O)CNc1ncccc1C#N)C(=O)Cn1cncn1 1124341540 NIIDGPLYZLQHDM-GFCCVEGCSA-N 315.337 -0.524 30 20 DBED C[C@@H](CC(N)=O)C(=O)N(C)C[C@@H](O)CNc1cnc(C#N)cn1 1124689124 OKOAZGVTPWQDAM-ONGXEEELSA-N 320.353 -0.909 30 20 DBED Cc1cc(C#N)nc(NC2CC(N(C)C(=O)CC(N)=O)C2)n1 1126864887 SONULGVJRGWEPU-UHFFFAOYSA-N 302.338 -0.067 30 20 DBED C[C@H](C#N)C(=O)NCc1cnn2c1CN([C@H](C)C(N)=O)CC2 1128265413 ZWRQTZWBXZUJFU-NXEZZACHSA-N 304.354 -0.652 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1c(F)cncc1F 1128367576 LGFYRVCPLXNWJF-SECBINFHSA-N 310.304 -0.183 30 20 DBED C=CCn1cccc1C(=O)NCCN[C@@H](C)C(=O)NC(=O)NC 1129508464 AWPKEXDKKDUWIF-NSHDSACASA-N 321.381 -0.162 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1nc2cnccc2s1 1131148051 HAEGLIZABRHWGY-UHFFFAOYSA-N 318.362 -0.350 30 20 DBED CN(C)C(=O)CC(=O)N1C[C@H]2C[C@@H]3CN(CC#N)C[C@]2(C1)O3 1131273343 GVDSYNICRJFMDJ-LALPHHSUSA-N 306.366 -0.710 30 20 DBED C[C@@H]1CCN(C(=O)CN2CC(=O)N(C)C2=O)C[C@H]1CNCC#N 1133249179 ANDPRRFWLDQEQT-VXGBXAGGSA-N 321.381 -0.522 30 20 DBED C[C@@H](C[C@H](C)NC(=O)CSCC#N)NCc1nnnn1C 1133735662 GBSDBOKWFVHFJP-UWVGGRQHSA-N 311.415 -0.160 30 20 DBED Cc1cc(C(=O)N[C@H](C)C[C@H](C)NCC(=O)NCC#N)ncn1 1134095730 XWGKUEIJQYONJN-CMPLNLGQSA-N 318.381 -0.089 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)CC(=O)NCC 1134143869 TVJSIHXVYAROLK-VXGBXAGGSA-N 310.398 -0.865 30 20 DBED C=CCN[C@H](C)C[C@H](C)NC(=O)CN1C(=O)C(=O)N(C)C1=O 1135598084 ZQNQRSLWWQNCCB-ZJUUUORDSA-N 310.354 -0.534 30 20 DBED C[C@@H](C[C@H](C)NC(=O)C(C)(C)NS(C)(=O)=O)NCC#N 1135639235 JQTHZTPOIQLYNH-UWVGGRQHSA-N 304.416 -0.289 30 20 DBED COCC#CCN[C@H](C)C[C@H](C)NC(=O)CN1C(=O)CNC1=O 1136127592 RSLOLWGBILRXHS-NEPJUHHUSA-N 324.381 -0.939 30 20 DBED COCC#CCN1CCC2(C1)CN(C(=O)[C@H]1COCCO1)C2 1147030894 ARWMUHLUVGSNRR-CQSZACIVSA-N 308.378 -0.414 30 20 DBED C=CCOc1cccnc1C(=O)NCCNC[C@@H](O)COC 1147290721 QJIWOTLIZDTBTO-GFCCVEGCSA-N 309.366 -0.027 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)c1conc1C)C2 1148188549 MEADASJLEQAZDH-UHFFFAOYSA-N 316.361 -0.120 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC2(CCN(CC(=O)NC(N)=O)C2)C1 1148881820 XUEJZJSQVMDMBG-NSHDSACASA-N 324.381 -0.693 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)Cn2ccccc2=O)C1 1150700693 ZAOMAPQYMLUIDO-CQSZACIVSA-N 303.362 -0.311 30 20 DBED C=CCN(CC=C)C(=O)CN(CC)[C@H](C)CNC(=O)CC(N)=O 1152507094 SBMWXWKPUPMRFW-CYBMUJFWSA-N 324.425 -0.111 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)C1(CN(C)C)CC1 1154898633 QCXHXMVBPQKYRI-CQSZACIVSA-N 322.453 -0.096 30 20 DBED C=CCOCCNCCCNC(=O)[C@@H]1Cc2cncn2C(=O)N1 1163073641 NMWVTYNMPSZXAH-ZDUSSCGKSA-N 321.381 -0.336 30 20 DBED C#CCNCCCC[C@@H](C)NC(=O)[C@@H](CCC(N)=O)NC(C)=O 1175719265 GACVUECTRUCNMS-TZMCWYRMSA-N 324.425 -0.346 30 20 DBED C#CCCN1CCO[C@H]2CCN(C(=O)CCCC(N)=O)C[C@@H]21 1177162458 LPBBAWZMAOKDEZ-KBPBESRZSA-N 307.394 -0.033 30 20 DBED C=CCCOCC(=O)NCCCN[C@H](C)C(=O)NC(N)=O 1177260048 CHKNWUKQKRQSCW-SNVBAGLBSA-N 300.359 -0.742 30 20 DBED CCCNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)[C@@H](C)C#N)C1 1181652748 PKYWPSRXJCXFAV-WDEREUQCSA-N 309.370 -0.428 30 20 DBED COCCOC[C@H](O)CN[C@@H]1CCN(C(=O)C#CC2CC2)C1 1182388536 ICCWGIVJJVXBGS-HUUCEWRRSA-N 310.394 -0.386 30 20 DBED COCC#CCNC[C@H]1CCN(C(=O)c2nnn(C)n2)C[C@H]1C 1184956808 TUWLQFSATZCCQR-CHWSQXEVSA-N 320.397 -0.452 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)Cn2nccc2C)C1 1185985527 KXZVSQPUNAJKNU-ZIAGYGMSSA-N 317.393 -0.480 30 20 DBED C=CCNC(=O)CN1C[C@@H]2CCN(C(=O)CNC(=O)CC)[C@@H]2C1 1187304865 OKVKXWBTZBXCBB-QWHCGFSZSA-N 322.409 -0.653 30 20 DBED Cn1cncc1CCC(=O)N1CC[C@@H](NCC(=O)NCC#N)C1 1187509099 BHKXONMITMWGNU-GFCCVEGCSA-N 318.381 -0.817 30 20 DBED C=CCNC(=O)CN1C[C@@H]2CCN(C(=O)[C@H](C)CC(N)=O)[C@@H]2C1 1188793508 IFRMLWVIGBYWKB-FRRDWIJNSA-N 322.409 -0.667 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](N(C)Cc2cnns2)C1 1189760918 RCCITMAPRNHSCZ-NSHDSACASA-N 321.406 -0.290 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](N(C)CC(=O)N(C)CC)C1 1189761254 XLIXUMPELLGYCQ-ZDUSSCGKSA-N 322.409 -0.863 30 20 DBED CO[C@H](C(=O)N1CC[C@H](N(C)CC(=O)NCC#N)C1)C1CC1 1189901677 JXVGNLBRKUBWCC-JSGCOSHPSA-N 308.382 -0.416 30 20 DBED C=CCCCN(C)[C@@H]1CCN(C(=O)CNS(=O)(=O)NC)C1 1191541826 CEPKIXZWLVYPML-GFCCVEGCSA-N 318.443 -0.461 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)C[C@H]2COC(=O)C2)C1 1192215038 UBHCWGKQXKSZNU-JHJVBQTASA-N 312.366 -0.697 30 20 DBED C[C@@H](NC(=O)C1CCCC1)C(=O)N[C@@H]1CN(CC#N)C[C@H]1O 1193166985 RAXIOYGOXONBNE-RAIGVLPGSA-N 308.382 -0.634 30 20 DBED C=CCOCCN(C)[C@@H]1CCN(C(=O)CN2C(=O)CCC2=O)C1 1193915038 OQYGBPZLRYVYNJ-CYBMUJFWSA-N 323.393 -0.129 30 20 DBED C#CCOCCC(=O)N1CCCN([C@H](C)C(=O)NC(N)=O)CC1 1195798389 FZMADTGGPOVQRG-GFCCVEGCSA-N 324.381 -0.856 30 20 DBED N#CCNC(=O)CN1CCCN(C(=O)[C@H]2C[C@H]3C=C[C@H]2O3)CC1 1196332958 SKYKHCPOQJOHBI-HZSPNIEDSA-N 318.377 -0.496 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)CCc2cnn[nH]2)CC1 1197187724 KODSJCYKBWNVBU-UHFFFAOYSA-N 320.397 -0.426 30 20 DBED CN1CC[C@H](CC(=O)N2CCCN(CC(=O)NCC#N)CC2)C1 1197832017 GZGCNHKIYVFHJN-CQSZACIVSA-N 321.425 -0.498 30 20 DBED C=CCNC(=O)CNC[C@H]1CN(C(=O)c2cocn2)CCCO1 1200093288 UCBCBUFLEGLQKI-LBPRGKRZSA-N 322.365 -0.203 30 20 DBED COCC#CCNC1CCN(C(=O)CCS(C)(=O)=O)CC1 1201293677 NLGKNNLBKQCBCZ-UHFFFAOYSA-N 316.423 -0.349 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)CCCC(C)=O)[C@H](C)C1 1205983354 HQLXDFRATJBOHG-TZMCWYRMSA-N 307.394 -0.068 30 20 DBED Cc1c[nH]c(C(=O)N2CCC(CNCC(=O)NCC#N)CC2)n1 1206540537 OXPFVDVHGNTMIV-UHFFFAOYSA-N 318.381 -0.200 30 20 DBED C#CCNCC1CCN(C(=O)CN2C(=O)NC(=O)C2(C)C)CC1 1206777460 AJYNKUSGFBZASX-UHFFFAOYSA-N 320.393 -0.222 30 20 DBED C=CCN1CC[C@H](N2C[C@@H](NC(=O)CC(=O)NC)[C@H](C)C2)C1=O 1206903199 SFJDWZSPKJBYPV-UPJWGTAASA-N 322.409 -0.654 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)c2n[nH]cc2F)C1 1209504226 QZFKQUZAYAZYDA-GHMZBOCLSA-N 321.356 -0.119 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[nH]2)C[C@H]1C 1211425729 QJSYHVRNQUFBPV-IJLUTSLNSA-N 323.397 -0.364 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2ccc[nH]2)[C@H](OC)C1 1211836391 ZNVKYUJIMIAORR-CHWSQXEVSA-N 304.350 -0.807 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2ccn(C)n2)C[C@H]1OC 1212262564 SDUKUGWCKCXONI-HUUCEWRRSA-N 320.393 -0.225 30 20 DBED C#CCN1C[C@@H](NC(=O)CCCS(C)(=O)=O)[C@H](OC)C1 1213561952 WQJJNYHJLKHQBF-VXGBXAGGSA-N 302.396 -0.740 30 20 DBED C=CCOCC(=O)N1C[C@@H](NC[C@H](O)Cn2cccn2)[C@H](C)C1 1214329360 DXECPJGAQWJNOH-QLFBSQMISA-N 322.409 -0.117 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)[C@]2(C)CCNC2=O)C[C@H]1C 1215525208 HASOVNRROCRVRF-XJKCOSOUSA-N 307.394 -0.401 30 20 DBED C=CCCN[C@@H]1CN(C(=O)Cn2nc(C)n(C)c2=O)C[C@H]1C 1216630439 FZQABQYQELFVMD-DGCLKSJQSA-N 307.398 -0.097 30 20 DBED N#CCNC(=O)CN1CC[C@@H]2CCN(C(=O)c3cc[nH]n3)C[C@@H]21 1222290239 DLCZERIPOUGDHR-YPMHNXCESA-N 316.365 -0.414 30 20 DBED COCC#CCN1CC[C@@H]2CCN(C(=O)c3cnn[nH]3)C[C@@H]21 1223053882 IGVAKVYNTOTLSI-OCCSQVGLSA-N 303.366 -0.009 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)c2cc(C#N)c[nH]2)CC1 1226750308 UKYMVFNEICMPBU-UHFFFAOYSA-N 313.361 -0.170 30 20 DBED COCC#CCN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CN(C)C(=O)N1 1227940828 NWBRNOGONSDLGD-MCIONIFRSA-N 322.409 -0.323 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)[C@H](OC)C(C)C)CC1 1229024922 QBJRXIQMSCRWHY-OAHLLOKOSA-N 309.410 -0.013 30 20 DBED C=CCOCCN1CCC(NC(=O)C2CC(=O)NC(=O)C2)CC1 1229592423 DGESXFOUNPFVOF-UHFFFAOYSA-N 323.393 -0.178 30 20 DBED C#CCNC(=O)C1CCN(C(=O)C(=O)NC2CC(C)C2)CC1 1260073299 KCYZNKFQDJQTCR-UHFFFAOYSA-N 305.378 -0.111 30 20 DBED COCCN(C)CCNC(=O)C(=O)Nc1cnn(CC#N)c1 1319348962 XUUBQSTYPTVWDZ-UHFFFAOYSA-N 308.342 -0.960 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CCC(c2nncn2C)CC1 1323821302 FELVAVKGDCMGSL-GFCCVEGCSA-N 321.381 -0.162 30 20 DBED C[S@](=O)C1(CNC(=O)C(=O)N2CC[C@@](F)(C#N)C2)CCC1 1324554193 IWEQNFLYAROUHF-GTJPDFRWSA-N 315.370 -0.132 30 20 DBED CN(CC1CC1)C(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1324578608 SNNDZOKJYXYHDF-SEYXRHQNSA-N 320.349 -0.503 30 20 DBED N#CCCCC(=O)N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 1325996434 QTCNCJKOSUQPPR-NWDGAFQWSA-N 315.395 -0.706 30 20 DBED N#C[C@@]1(F)CCN(C(=O)C(=O)N2CCC[C@@H](n3ccnn3)C2)C1 1326202551 XFWFLWHOKPUYPV-RISCZKNCSA-N 320.328 -0.094 30 20 DBED CN1CC[C@@]2(CCN(C(=O)C(=O)N3CC[C@@](O)(CC#N)C3)C2)C1 1329465985 NLVRJMIETGFYCF-CVEARBPZSA-N 320.393 -0.582 30 20 DBED N#C[C@H]1CC[C@@H](NC(=O)C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)C1 1332042169 CKEUSQLSBOTZRJ-HBNTYKKESA-N 304.350 -0.326 30 20 DBED CC[C@]1(CO)CCCN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)C1 1332371988 JUUPTJURLWUXKD-JKSUJKDBSA-N 323.393 -0.125 30 20 DBED C=CC1CCN(c2nnnn2CCNS(C)(=O)=O)CC1 1335387641 SUAVJSBDESZOSL-UHFFFAOYSA-N 300.388 -0.375 30 20 DBED Cc1nn(C)c(C)c1CNC(=O)C(=O)N1CCO[C@H](C#N)C1 1340554168 GEEGQYOLWNYSTR-LLVKDONJSA-N 305.338 -0.596 30 20 DBED CNCCCc1[nH]nc(NC(=O)[C@@H]2CCNC(=O)C2)c1C#N 1341227624 NGYLXXXJMBLONN-SECBINFHSA-N 304.354 -0.102 30 20 DBED C=CCCSCCNC(=O)C(=O)NC[C@H]1COCCO1 1347454146 DYXJZLCMKHVILO-NSHDSACASA-N 302.396 -0.057 30 20 DBED COCC1CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)CC1 1361946373 AOOJDRKKEWIRMB-UHFFFAOYSA-N 306.322 -0.294 30 20 DBED Cc1nnc(CCNC(=O)Cn2cc(C#N)c(O)nc2=O)s1 1362961816 BNAIWVQOKVALRC-UHFFFAOYSA-N 320.334 -0.661 30 20 DBED COC[C@H]1CCCN1NC(=O)CCn1cc(C#N)c(O)nc1=O 1363489341 QZVBKUMFOZHRMZ-LLVKDONJSA-N 321.337 -0.647 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H](O)CNC(=O)Cc2ccoc2)c1 1376569048 KZECGXVUEABDCF-GFCCVEGCSA-N 316.317 -0.071 30 20 DBED CCN(CCC#N)C(=O)CN[C@H](C)CNC(=O)C1=COCCO1 1376694623 OBEZYZUHVGDBCT-GFCCVEGCSA-N 324.381 -0.269 30 20 DBED C[C@H](C#N)C(=O)NCCC1CCN(Cc2nc(=O)n(C)[nH]2)CC1 1405565694 OSPFNXLUAKGZKR-LLVKDONJSA-N 320.397 -0.014 30 20 DBED C=C(Br)CNC[C@@H](O)CNC(=O)Cc1nc[nH]n1 1406270354 BWHZASUZVSYMJB-MRVPVSSYSA-N 318.175 -0.678 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CCN(C(=O)CNC(=O)C2CC2)C1 1407203076 OKTRJNDXSWOZPQ-JQWIXIFHSA-N 306.366 -0.268 30 20 DBED C[C@H](C#N)C(=O)N1CCC(O)(CNCc2cnnn2C)CC1 1408146958 RQOAITZIJBEGOY-LLVKDONJSA-N 306.370 -0.582 30 20 DBED CN(Cc1cccc(C(N)=O)c1)c1[nH]c(=O)n(C)c(=O)c1C#N 1412874644 NZHQCPNLZJGMFK-UHFFFAOYSA-N 313.317 -0.319 30 20 DBED C[C@@H](C#N)C(=O)NC1CCN(C(=O)CCS(C)(=O)=O)CC1 1414674297 UUXCRANWAFSMIL-JTQLQIEISA-N 315.395 -0.312 30 20 DBED C[C@H](C#N)C(=O)N(C)C[C@@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1 1415940465 UQGVVYZDUZNGDS-MNOVXSKESA-N 317.349 -0.150 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)Cn2ncnn2)CCCC1 1416325582 PBWVMAMVRGPCME-SNVBAGLBSA-N 305.342 -0.622 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(CCn2cc(Cl)cn2)C1 1421420457 WKPIMQBFQWCKGY-SNVBAGLBSA-N 311.773 -0.141 30 20 DBED COC(=O)NCC(=O)N1CC(NC(=O)c2cc(C#N)c[nH]2)C1 1430166123 GXWSSKVSHBJGIT-UHFFFAOYSA-N 305.294 -0.817 30 20 DBED C[C@H](C#N)C(=O)N(C)CCNC(=O)c1nc2ncccn2n1 1431460807 VASJOIVKZXCINE-SECBINFHSA-N 301.310 -0.528 30 20 DBED Cn1c(C#N)ccc1C(=O)N1CCS(=O)(=O)[C@@H]2COCC[C@@H]21 1434066640 SHHWOAQETSFMBQ-WCQYABFASA-N 323.374 -0.075 30 20 DBED N#Cc1ccccc1CNC1(CNC(=O)Cn2ncnn2)CC1 1439604149 KDMFNFFCELTPQQ-UHFFFAOYSA-N 311.349 -0.017 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(CC(=O)N(C)CC2CC2)C1 1440039446 ROXOMJBDOVJKDW-LLVKDONJSA-N 308.382 -0.823 30 20 DBED CN(Cc1nccn1C)C(=O)CCn1cc(C#N)c(O)nc1=O 1440643309 CVESCHZXWTYERU-UHFFFAOYSA-N 316.321 -0.397 30 20 DBED Cc1cc(OCC(=O)N(C)C[C@@H](O)CNC(=O)[C@@H](C)C#N)no1 1444663004 MISKJWPRWOJAJV-ONGXEEELSA-N 324.337 -0.543 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNCc1nnsc1Cl 1445166735 ZBPBSIADDLZGKK-RQJHMYQMSA-N 303.775 -0.082 30 20 DBED C[C@]1(C(=O)NC[C@H](O)CNC(=O)c2cc(C#N)c[nH]2)CCOC1 1452327974 JQOTYNGGLKNKKL-ABAIWWIYSA-N 320.349 -0.480 30 20 DBED N#Cc1c[nH]c(C(=O)N2CCN(C(=O)CCNC(N)=O)CC2)c1 1453489395 MEMFTLGFAIIBAE-UHFFFAOYSA-N 318.337 -0.771 30 20 DBED C[C@H](C#N)C(=O)N1CC(CNC(=O)C(C)(C)N2CCOCC2)C1 1456542388 OVSXIFSKJBTNBA-GFCCVEGCSA-N 322.409 -0.169 30 20 DBED N#Cc1c[nH]c(=O)n(CC(=O)NC(=O)Nc2ccccc2)c1=O 1473048107 QRAZSIMNOIVYNI-UHFFFAOYSA-N 313.273 -0.243 30 20 DBED CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)Nc1nn(C)cc1C#N 1476217263 FLQJQNUIORNVQG-BDAKNGLRSA-N 313.339 -0.775 30 20 DBED C=CCNC(=O)CNC[C@@H](NC(=O)[C@H]1CCCN1C)C1CC1 1483548635 BVPGVIMOIHYJPO-ZIAGYGMSSA-N 308.426 -0.133 30 20 DBED C[C@@H](C#N)C(=O)NCC1(C)CCN([C@H](C)C(=O)NC(N)=O)CC1 1484133156 BLEMYYKDZNLJFC-WDEREUQCSA-N 323.397 -0.052 30 20 DBED COc1c(C(=O)NC[C@H](O)CNC(=O)[C@H](C)C#N)c(C)nn1C 1501605529 NPKIRPBZNDNVRQ-PSASIEDQSA-N 323.353 -0.896 30 20 DBED CNC(=O)NCC(=O)N1CCC(C)(CNC(=O)[C@H](C)C#N)CC1 1506674011 CRFVBJUFSFJZLV-LLVKDONJSA-N 323.397 -0.180 30 20 DBED C[C@@H](C#N)C(=O)N(C)C[C@H]1CCCN1C(=O)C1(NC(N)=O)CC1 1508283665 TXUAUYXUQDITTE-WDEREUQCSA-N 321.381 -0.204 30 20 DBED C#CCNC(=O)C1CCN(C(=O)N[C@]2(C)CCOC2=O)CC1 1528363056 IUIZBIWUNYMLKK-OAHLLOKOSA-N 307.350 -0.137 30 20 DBED Cc1nnc(N2CCO[C@H](C#N)C2)n1C[C@@]1(O)CCO[C@@H]1C 1543339101 FUFBYQKUYKIBDI-QKCSRTOESA-N 307.354 -0.145 30 20 DBED C#CC[C@@H](CO)NS(=O)(=O)c1ccc(OCC(=O)O)cc1 1573302235 LIMBTUCEJWKVOA-JTQLQIEISA-N 313.331 -0.188 30 20 DBED C[C@H](CN1CCOCC1)Nc1cnc(-c2nn[nH]n2)c(C#N)n1 1574831291 KYNVLYDDVPOIGY-SECBINFHSA-N 315.341 -0.339 30 20 DBED CC(C)(C)OC(=O)C1=NO[C@@H](C(=O)N2CCNC[C@H]2C#N)C1 1575153067 NAHDITKJTCAAEY-MWLCHTKSSA-N 308.338 -0.203 30 20 DBED N#CCc1cccc(NC(=O)[C@@]23CNC[C@@H]2CS(=O)(=O)C3)n1 1580054943 CNBWQUBIXHSARX-QMTHXVAHSA-N 320.374 -0.280 30 20 DBED O=C(C#Cc1cccs1)NCC[C@@H]1CNCCS1(=O)=O 1580473844 VQBWBJOFWYDYES-GFCCVEGCSA-N 312.416 -0.008 30 20 DBED C#CCC[C@@H](O)CNC(=O)NCc1nc(-c2nn[nH]n2)cs1 1588337418 PDIKSLUIDMLRJV-MRVPVSSYSA-N 321.366 -0.103 30 20 DBED C#CCN(CC(=O)O)C(=O)C(=O)Nc1ccc(=O)n(CC)c1 1588395105 JPHQNAKMELTBHD-UHFFFAOYSA-N 305.290 -0.647 30 20 DBED N#Cc1nc(N2CC[C@H](O)C(F)(F)C2)cnc1-c1nn[nH]n1 1592704913 TVVDXWTXSDJNSZ-ZETCQYMHSA-N 308.252 -0.265 30 20 DBED N#Cc1nc(SCCc2nn[nH]n2)cnc1-c1nn[nH]n1 1592707745 ZPNWQIAELNQONR-UHFFFAOYSA-N 301.299 -0.624 30 20 DBED O=C(C#CC1CC1)N[C@H]1CCN(c2ccc(-c3nn[nH]n3)nn2)C1 1592767705 IOJGIKLTUJNTNC-NSHDSACASA-N 324.348 -0.235 30 20 DBED Cn1cc(C[C@H](CO)CNC(=O)[C@](C)(C#N)CC(=O)O)cn1 1594541569 CINFEJHPJCBQGE-FZMZJTMJSA-N 308.338 -0.308 30 20 DBED N#Cc1ccc(S(=O)(=O)NCCc2nc[nH]n2)c(C(=O)O)c1 1601111575 JJPPORYDRQSQJX-UHFFFAOYSA-N 321.318 -0.104 30 20 DBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NC1(C(=O)O)CC1 1601326838 UYHFFYPEGQOEAC-UHFFFAOYSA-N 323.330 -0.542 30 20 DBED COCC[C@@](C)(O)CNc1cnc(C#N)c(-c2nn[nH]n2)n1 1605079468 WOCJTEDKDTWJJL-GFCCVEGCSA-N 304.314 -0.272 30 20 DBED COC(=O)[C@H]1C[C@H](C(=O)O)CCN1S(=O)(=O)CCCC#N 1606377037 RZIDKVKVTXWEDN-NXEZZACHSA-N 318.351 -0.042 30 20 DBED C=C(C)CNC[C@H]1CCCCN1C(=O)CNC(=O)CNC(C)=O 1731548126 NXEGUKOASSKYMT-CQSZACIVSA-N 324.425 -0.215 30 20 DBED N#CCNC(=O)CN1CCC2(CC1)C[C@@H]2NC(=O)c1ncc[nH]1 1752418770 AFKCUPLUJCIFJI-NSHDSACASA-N 316.365 -0.366 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@H](NC(=O)[C@H]2CCO[C@@H](C)C2)C1 1752672158 ABRITFNRAORSMQ-XUXIUFHCSA-N 307.394 -0.212 30 20 DBED C#CCNC(=O)CNC[C@H]1CCN(C(=O)Cc2ncc[nH]2)C1 1752954415 SBPUDNQSDVZQCA-GFCCVEGCSA-N 303.366 -0.860 30 20 DBED Cc1ncc(C(=O)NCCN(C)CC(=O)NCC#N)c(C)n1 1753067352 KXSYXZUIFDESNZ-UHFFFAOYSA-N 304.354 -0.605 30 20 DBED N#CCNC(=O)CN1CC[C@H](CCNC(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1753333549 IZPGISBKYQVXGB-RMRHIDDWSA-N 320.393 -0.653 30 20 DBED Cn1cc(C(=O)NCC2CN(CC(=O)NCC#N)C2)c(Cl)n1 1753413662 KUZHSQFZIODXCB-UHFFFAOYSA-N 324.772 -0.625 30 20 DBED Cn1cc(C(=O)N2CCC[C@H](CCNCC#N)C2)c(O)nc1=O 1753561045 KRVFQUXCSYIBTO-LLVKDONJSA-N 319.365 -0.159 30 20 DBED CC1(C)CC(C(=O)NC[C@@H]2CN(CC(=O)NCC#N)CCO2)C1 1753649934 JVQFASAEEFCRFM-CYBMUJFWSA-N 322.409 -0.121 30 20 DBED C#CCNC[C@@H]1[C@H](C)CCCN1C(=O)CN1CC(=O)N(C)C1=O 1753811210 HMGYUIPGSVHNFX-CHWSQXEVSA-N 320.393 -0.270 30 20 DBED C#CCNC[C@@H]1[C@@H](C)CCCN1C(=O)CN1CC(=O)N(C)C1=O 1753811212 HMGYUIPGSVHNFX-QWHCGFSZSA-N 320.393 -0.270 30 20 DBED C=CCNC(=O)[C@@H](C)NC[C@@H](C)NC(=O)c1ccn(C)c(=O)c1 1754231326 FUDNJOAVNNNCAL-VXGBXAGGSA-N 320.393 -0.216 30 20 DBED C#CCNC(=O)CNC[C@@H](C)NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1754235336 QJRLDYDIBZOLGG-JWOJSXKRSA-N 305.378 -0.747 30 20 DBED COCC#CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)CN1CCOCC1 1754424249 SWJYFXYMAWOZBS-IJEWVQPXSA-N 307.394 -0.843 30 20 DBED C=CCNC(=O)CN1C[C@H]2CN(C(=O)CCN(C)C)C[C@H]2C1 1754845615 PTTPMMJHQLBTHW-OKILXGFUSA-N 308.426 -0.370 30 20 DBED CCC(=O)N[C@@H](C)C(=O)NCCN1CCC(NCC#N)CC1 1754848377 CUGHKHDODVLPQH-LBPRGKRZSA-N 309.414 -0.405 30 20 DBED C[C@@H](NCC#N)[C@H]1CN(C(=O)c2coc(C(N)=O)c2)CCO1 1755445246 QLUUEEPNMBGTQK-BXKDBHETSA-N 306.322 -0.279 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CC[C@@H](NC(=O)COC)C[C@H]2C1 1755449564 HCOXQQIVHVCMHN-MELADBBJSA-N 307.394 -0.401 30 20 DBED COCC#CCNC[C@H](C1CC1)N(C)C(=O)[C@@H](C)NC(C)=O 1755555760 DLVMBNAOGJMOIY-IUODEOHRSA-N 309.410 -0.013 30 20 DBED CC#CCNC[C@H](C1CC1)N(C)C(=O)Cn1c(O)nnc1O 1755571205 CZMYBBCCRIYLEI-LLVKDONJSA-N 307.354 -0.461 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2cnns2)[C@@H]1C 1755665833 SJLUVKOFBBBZCX-ZJUUUORDSA-N 307.379 -0.520 30 20 DBED CC(C)C#CC(=O)NC[C@H](C)N(C)C(=O)c1cn(C)c(=O)n1C 1756024813 VXZAPSFJGWALQJ-LBPRGKRZSA-N 320.393 -0.040 30 20 DBED C[C@H](CNC(=O)[C@@H]1CCN(C)C1=O)N(C)C(=O)C#CC1CC1 1756062225 NJUKXOHPPRJZAZ-YPMHNXCESA-N 305.378 -0.159 30 20 DBED C=CCCO[C@@H](C)C(=O)N1CC2(CCCN(C(=O)C(N)=O)C2)C1 1756234081 DJEDHKYGPHTVPS-LBPRGKRZSA-N 323.393 -0.096 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](C)CCCNC(=O)C1(NC(N)=O)CC1 1756341722 NQSLEVMSTZZYHU-VHSXEESVSA-N 309.370 -0.252 30 20 DBED C[C@H](CN(C)C(=O)C#CC1CC1)NC(=O)c1c[nH]c(=O)cn1 1756450467 GYBWSPIKFLIXIW-SNVBAGLBSA-N 302.334 -0.240 30 20 DBED Cc1cncc(C(=O)N[C@@H](CO)CNC(=O)CSCC#N)c1 1756504096 VQJGBMOHMAJBPN-GFCCVEGCSA-N 322.390 -0.146 30 20 DBED O=C(C#CC1CC1)NC[C@H](CO)NC(=O)c1ncccc1F 1756520015 SMPCDGBSUHIDFL-LLVKDONJSA-N 305.309 -0.159 30 20 DBED C=CCCCC(=O)N(C)C[C@H](O)CNC(=O)[C@@H]1COCCO1 1756675668 BXWKKYHCBWUWNI-OLZOCXBDSA-N 314.382 -0.306 30 20 DBED C#Cc1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)CCOC)C2)nc1 1756973752 BPWYLXSXUXHYFP-ZIAGYGMSSA-N 317.345 -0.599 30 20 DBED CCCN(C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)C#CC2CC2)C1 1756993449 BJWMNWYBUKFYQD-HUUCEWRRSA-N 321.421 -0.180 30 20 DBED C=CCCC(=O)N[C@@H]1CN(C(=O)c2nccnc2N)C[C@H]1OC 1757120849 OGNYVVIBJVWHBH-GHMZBOCLSA-N 319.365 -0.019 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COC)C2 1793342683 ZIHZVYAJBXVYLG-GUIRCDHDSA-N 324.377 -0.739 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cncnc1)C2 1800451293 VTMKYXDQKFPWNS-DABQJJPHSA-N 300.318 -0.687 30 20 DBED C#CC(=O)N[C@H]1CCc2nc(NC(=O)[C@H](C)NC=O)sc2C1 1822902580 IIYJELYUZQLMDR-IUCAKERBSA-N 320.374 -0.177 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)[C@H](O)CC)C1 1841279046 UPICOKHMCAXXRH-QWHCGFSZSA-N 308.378 -0.001 30 20 DBED C=C(C)CNC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 152998347 PHZCTAZXGWPAFJ-GHMZBOCLSA-N 300.380 -0.286 30 20 DBED Cn1cc(N2CCN(S(=O)(=O)CCCC#N)CC2=O)cn1 175615851 ZLRGPCXMDMRTOD-UHFFFAOYSA-N 311.367 -0.298 30 20 DBED C[C@H](C(=O)N(C)CCC#N)N1CCN(c2cnn(C)c2)C(=O)C1 177450984 YYQCAOHYEOFVKG-GFCCVEGCSA-N 318.381 -0.171 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(CCOCC(F)F)c1=O 189213934 RGIILYQGBHENDP-UHFFFAOYSA-N 317.292 -0.175 30 20 DBED CC(=O)NC[C@@H]1CN(CC(=O)N[C@](C)(C#N)C2CC2)CCO1 246744066 RCIIAUZHEGANRG-UKRRQHHQSA-N 308.382 -0.368 30 20 DBED C[C@H](CC#N)N(C)C(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 266374349 RZZGNEYNJPMMNU-JKKYPKHBSA-N 305.334 -0.091 30 20 DBED C[C@H](CC#N)NC(=O)[C@@H](C)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 266834573 LBFWVNKCYBJIRJ-ZKSVUJDCSA-N 305.334 -0.044 30 20 DBED N#Cc1ncccc1S(=O)(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1 277127620 IYGZRTGTWYPDGL-WPRPVWTQSA-N 310.335 -0.736 30 20 DBED COC(=O)[C@@H]1[C@@H](O)CCCN1S(=O)(=O)c1ccc(C#N)o1 287403714 OORGLHTVDSPAGP-ONGXEEELSA-N 314.319 -0.162 30 20 DBED C[C@H]1CN(C[C@@H](C)O)CCN1C(=O)NCCn1cnc(C#N)n1 287821021 JZZVZAJUJHRGSF-NWDGAFQWSA-N 321.385 -0.754 30 20 DBED COC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)Cc1ccc(C#N)cc1 288461110 VZIGSTLATPGGTO-OLZOCXBDSA-N 324.358 -0.004 30 20 DBED C=C[C@@H](CO)NS(=O)(=O)c1ccccc1S(=O)(=O)NC 290052188 BKRJLTRYNGBZKN-VIFPVBQESA-N 320.392 -0.580 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)Cc1ccccc1S(N)(=O)=O 292902514 ZSTSARNAQZUCEN-LLVKDONJSA-N 309.391 -0.096 30 20 DBED Cc1nc2n(n1)C[C@@H](/N=C(/O)N1C[C@H]3COC[C@@H](C1)O3)CC2 328707682 QCXUYBVFYPEMTD-SDDRHHMPSA-N 307.354 -0.085 30 20 DBED CN1CCO[C@@H](/C(O)=N/C[C@H]2CCCN2S(C)(=O)=O)C1 328748091 QGQDAKZUBFHZNC-GHMZBOCLSA-N 305.400 -0.303 30 20 DBED O=C1C[C@@H](/N=C(/O)[C@H]2CCC(O)=N2)CN1CCN1CCOCC1 329594206 OMZIVLMDCZAMAL-VXGBXAGGSA-N 324.381 -0.005 30 20 DBED CN(CC(=O)OC(C)(C)C)S(=O)(=O)N1CCO[C@H](C#N)C1 336917016 MZUMTQSAODKVJX-SNVBAGLBSA-N 319.383 -0.271 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)NCCCC(=O)NC1CC1 336952064 VMBJOUGSTYIZPZ-SNVBAGLBSA-N 302.400 -0.029 30 20 DBED C[C@@H]1CS(=O)(=O)C[C@H]1NS(=O)(=O)N(C)[C@@H](C)CC#N 341932904 CIVHDXNWEJXSLB-KXUCPTDWSA-N 309.413 -0.512 30 20 DBED N#CCCn1ccc(NC(=O)CNC(=O)c2ncccc2O)n1 343673644 RSLCWWYISPQNTO-UHFFFAOYSA-N 314.305 0.266 30 20 DBED CCN(CC)S(=O)(=O)CC(=O)N(CC#N)CC(=O)OC 345525051 PQFYTOWCMPQPGB-UHFFFAOYSA-N 305.356 -0.817 30 20 DBED C[C@@H](C(=O)NC1(C#N)CCC1)N1CCN(C(=O)CN(C)C)CC1 345763409 BPXTXUCKNOTSEJ-ZDUSSCGKSA-N 321.425 -0.357 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@]2(C)CCCOC2)C1=O 357511849 LGKHDZIBBXDBCX-CQSZACIVSA-N 309.322 -0.352 30 20 DBED N#C[C@@]1(NC(=O)CCn2nc3ccccn3c2=O)CCOC1 358450791 RFWFCTIFDBINDO-AWEZNQCLSA-N 301.306 -0.315 30 20 DBED N#Cc1ccc([C@@H](C(N)=O)N2CCN(CC(N)=O)CC2)cc1 360293080 PIPDBEIPPOULBL-AWEZNQCLSA-N 301.350 -0.812 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N[C@@]1(C)CCS(=O)(=O)C1 407951913 DOQPRBFYRAFDFO-UWVGGRQHSA-N 309.413 -0.511 30 20 DBED CCCC[C@H](NS(=O)(=O)N1CCO[C@@H](C#N)C1)C(=O)O 417514496 YGZCZOSPXSNDLK-UWVGGRQHSA-N 305.356 -0.311 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N[C@@H]2CCCN[C@H]2C)nn1 424543333 JJELWKOWFBKCAF-CMPLNLGQSA-N 306.370 -0.663 30 20 DBED N#Cc1cc(F)ccc1NC(=O)C(=O)N1CCO[C@H](C(N)=O)C1 435657519 XFBPXWIIADNQQS-NSHDSACASA-N 320.280 -0.651 30 20 DBED C=CCNC(=O)CNC(=O)N1CCC2(CCN(C)C2=O)CC1 445111790 XOWCOXFDXZGOFS-UHFFFAOYSA-N 308.382 -0.058 30 20 DBED COC(=O)[C@@H]1CNC(=O)CN1S(=O)(=O)c1ccccc1C#N 447933166 SSUVSHVXRFJCRW-JTQLQIEISA-N 323.330 -0.780 30 20 DBED C#CCN1CCN(C(=O)CN(CCOC)CC(F)F)CC1 490841278 SQICHDPQVSCSMS-UHFFFAOYSA-N 303.353 -0.023 30 20 DBED C#CCN(C)C(=O)Cn1c(=O)oc2cc(S(N)(=O)=O)ccc21 491716852 OTHRJNLRSMQWNN-UHFFFAOYSA-N 323.330 -0.667 30 20 DBED C#CCNC(=O)C1CCN(CN2CC(=O)N(CC)C2=O)CC1 491759523 MZEHWMXBEJENOE-UHFFFAOYSA-N 306.366 -0.311 30 20 DBED C[C@@H](NC(=O)N(C)CCCc1[nH]nc(N)c1C#N)C(=O)N(C)C 541899819 DYXUBKWCJXWMKK-SECBINFHSA-N 321.385 -0.086 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N(CCO)[C@@H](C)CC(=O)O 566312112 LAVQGNYFELAJQG-QWRGUYRKSA-N 321.399 -0.130 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@@H](CC(=O)O)C(=O)O 566682242 OXWYPEQYFNEMPK-RKDXNWHRSA-N 321.355 -0.522 30 20 DBED CNC(=O)[C@H]1CCCN(C(=O)C(=O)Nc2cccc(C#N)n2)C1 574808719 JIMGBGKTSRWPPJ-JTQLQIEISA-N 315.333 -0.124 30 20 DBED COC(=O)C[C@@H](O)CNC(=O)C(=O)Nc1cccc(C)c1C#N 600059100 NIKTYSIMQIMEJN-SNVBAGLBSA-N 319.317 -0.155 30 20 DBED C[C@@H](C(=O)NC1(C#N)CCC1)n1cc(CN2CCNCC2)nn1 603238938 BUZATCMXPIVVML-LBPRGKRZSA-N 317.397 -0.193 30 20 DBED Cn1cc(S(N)(=O)=O)cc1C(=O)N1CC[C@](F)(C#N)C1 615607253 HWUPVHZIJJPYBX-NSHDSACASA-N 300.315 -0.250 30 20 DBED C=CCN(C(=O)[C@@H]1CCCNC1=O)[C@H]1CCS(=O)(=O)C1 630796241 LLZTZEWQDBKUBY-WDEREUQCSA-N 300.380 -0.286 30 20 DBED N#Cc1ccc(NCCNC(=O)N2CCCNC(=O)C2)nc1 726848521 AMHNXVSWOOOWOR-UHFFFAOYSA-N 302.338 -0.103 30 20 DBED COC(=O)CN(CC(=O)O)CC(=O)NCc1ccc(C#N)cc1 737614807 FHMAPTBGNVPLQY-UHFFFAOYSA-N 319.317 -0.266 30 20 DBED C#CCOCCC(=O)OCC(=O)N1CCC[C@H](NC(C)=O)C1 756304454 AHDAJYWUPNAIAN-ZDUSSCGKSA-N 310.350 -0.303 30 20 DBED C#CCn1c(=C(C#N)C#N)sc(=Cc2c(C)nn(C)c2C)c1=O 758077576 RBJKBOJEHVWESM-UHFFFAOYSA-N 323.381 -0.080 30 20 DBED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)c2n[nH]c(O)n2)C1 758773905 SVRQCCSSMGIHON-JGVFFNPUSA-N 322.325 -0.001 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@](C)(CO)C2CC2)C1=O 759517676 HLIKDGXPGWLZHV-AWEZNQCLSA-N 309.322 -0.760 30 20 DBED COCC#CCOC(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 762783175 WSBBDPQDVHNDME-CDGCEXEKSA-N 303.314 -0.014 30 20 DBED N#Cc1ccc(NCCNC(=O)C(=O)NC[C@H]2CCCO2)nc1 774458316 FFKKTVNKTQAWQB-GFCCVEGCSA-N 317.349 -0.223 30 20 DBED C#CCOCCNC(=O)NC[C@H]1CCCN1S(C)(=O)=O 784389109 LJTSKQHQXRLXSL-LLVKDONJSA-N 303.384 -0.641 30 20 DBED C#CCOCCNS(=O)(=O)c1cccc(S(N)(=O)=O)c1 784454537 QKGVAYFECVACQP-UHFFFAOYSA-N 318.376 -0.738 30 20 DBED C#CCOCCNC(=O)[C@H](C)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 784594823 IZEDKZAIKGEWAS-CKIKVBCHSA-N 320.345 -0.697 30 20 DBED C#CCC[C@H](O)CNC(=O)C1=CC=CN2CCS(=O)(=O)N=C12 799072693 RKKDRAOHWVGNDC-NSHDSACASA-N 323.374 -0.626 30 20 DBED C#CCCS(=O)(=O)NC(=O)[C@@H](NC(=O)COC)C(C)C 810782822 YTCWDZKCDCRIQY-NSHDSACASA-N 304.368 -0.757 30 20 DBED C#CC(=O)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 817643367 MWTAVXIGULFSNY-UHFFFAOYSA-N 311.319 -0.035 30 20 DBED N#Cc1cnn(CCOC(=O)c2ccc(-c3nn[nH]n3)[nH]2)c1N 826387658 JDNHFRFVAWHOBA-UHFFFAOYSA-N 313.281 -0.298 30 20 DBED CNCCN(C)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 834416229 BXHTXGGTVRDKEV-UHFFFAOYSA-N 324.406 -0.207 30 20 DBED C#C[C@H](NC(=O)N[C@@H](CC)CNS(C)(=O)=O)[C@@H]1CCCO1 838559246 LSAAPXZUCJMUQD-SRVKXCTJSA-N 317.411 -0.206 30 20 DBED C#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@H](CO)[C@@H](C)O 839599177 VIWRIWZOLGFHHX-BXKDBHETSA-N 324.308 -0.366 30 20 DBED C=CCCC(=O)[C@@H]1CCCN1C(=O)CNC(=O)CNC(C)=O 908651779 PCIJFJSMKCIIOH-LBPRGKRZSA-N 309.366 -0.235 30 20 DBED C[C@H](C#N)C(=O)N1CCCN(C(=O)C[C@H]2CCC(=O)N2)CC1 941589748 BIMQXDDVSONWMV-VXGBXAGGSA-N 306.366 -0.124 30 20 DBED O=C1NCC[C@@H]1NCC1(O)CCN(C(=O)C#CC2CC2)CC1 946922110 LIEVBXLNCILSEH-ZDUSSCGKSA-N 305.378 -0.769 30 20 DBED C#Cc1ccc(C(=O)N2C[C@H]3C[C@H]2[C@@H]3NC(=O)c2cnn[nH]2)nc1 947490263 PZUZFPZATIMQPT-DDTOSNHZSA-N 322.328 -0.176 30 20 DBED C=CCn1cc(C(=O)N2CCN(Cc3cn(C)nn3)CC2)nn1 951559775 MUPGWMVTDFGBDF-UHFFFAOYSA-N 316.369 -0.449 30 20 DBED C[C@H](C#N)C(=O)N1CC(N(C)C(=O)Cn2cc(C3CC3)nn2)C1 954508090 AUTWEEFGCHPWTE-SNVBAGLBSA-N 316.365 -0.016 30 20 DBED N#CCN1C[C@H](CNC(=O)c2ccnn2CC(F)F)[C@@H](O)C1 958070123 WLAAIJNBAQUPOR-ONGXEEELSA-N 313.308 -0.306 30 20 DBED Cc1nnc(O)c(C(=O)NC[C@@H]2CN(CC#N)C[C@@H]2O)c1C 958313251 LVLMRHCWSUTMKN-MNOVXSKESA-N 305.338 -0.655 30 20 DBED CC#CCN1C[C@H](CNC(=O)c2cnc(OC)nc2)[C@@H](O)C1 958561735 APNXRIJXEIBWQE-STQMWFEESA-N 304.350 -0.469 30 20 DBED C#CCCN1C[C@H]2[C@H](NC(=O)[C@H]3CC(=O)N(CCOC)C3)[C@H]2C1 960169266 VAPLGTFIBVEFNY-TTZDDIAXSA-N 319.405 -0.449 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)c1cncn1C 964241030 GUGYDUGFCXVVIT-WDEREUQCSA-N 305.338 -0.463 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C2CN(C(=O)c3cc[nH]n3)C2)CC1 967244259 LZQDBPMPDKGTOD-LLVKDONJSA-N 316.365 -0.462 30 20 DBED C#CCCN1CC[C@H](C)[C@H](NC(=O)CN2C(=O)CNC2=O)C1 968626636 BZZYVCAVCQAIOK-NWDGAFQWSA-N 306.366 -0.612 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)C[C@@H]3CCNC3=O)[C@H]2C1 976644185 UAOFCBLZMNLCGB-OQEOFVATSA-N 304.350 -0.755 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](CN(C)C(=O)c2nnn(C)n2)C1 988290550 CDXHTJSPHODJJG-NXEZZACHSA-N 305.342 -0.710 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@H](NC(=O)C(F)F)[C@@H](O)C2)[nH]1 991152292 AHTLBYYRWZDYJR-WPRPVWTQSA-N 312.276 -0.157 30 20 DBED N#CCN1CC[C@@]2(NC(=O)c3nnc(O)nc3O)CCC[C@H]12 991627520 SYTXVWLEHAVFEU-SDBXPKJASA-N 304.310 -0.467 30 20 DBED CC#CCN1CCC[C@@H](NC(=O)Cn2ncn(C)c2=O)[C@@H]1C 993506314 DBAXNJDXIXTIIL-QWHCGFSZSA-N 305.382 -0.426 30 20 DBED C#CCN1CCC[C@@H](NC(=O)Cn2ccc(O)nc2=O)[C@@H]1C 993575555 WKOSSPLRCOBWAU-NWDGAFQWSA-N 304.350 -0.449 30 20 DBED N#CCN[C@@H]1CN(C(=O)Cn2ncnn2)CC[C@@H]1C(F)(F)F 998259742 KOIPLXCAVOWTAX-DTWKUNHWSA-N 317.275 -0.434 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(NC(=O)Cc2nc[nH]n2)C1 1000200570 KNRXROWYZHVMSP-FZMZJTMJSA-N 319.365 -0.345 30 20 DBED C#CCN[C@H]1CCCN(C(=O)CN2C(=O)NC(C)(C)C2=O)C1 1000847574 LSNXDQSEIZQZMY-NSHDSACASA-N 306.366 -0.469 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H]1CCCN1C(=O)C(N)=O 1002920783 IDRUHQBQKZPNIB-TUAOUCFPSA-N 309.366 -0.488 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCCN([C@@H](C)C(=O)NC)C2)nn1 1008801278 VPNXEGOZAGIPBL-RYUDHWBXSA-N 320.397 -0.207 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C(=O)[C@@H](C)CN2CCOCC2)CC1 1011163759 BXRNQUUYARUKMQ-KBPBESRZSA-N 322.409 -0.215 30 20 DBED C=CCCn1cc(C(=O)N[C@@H]2CCN(CC(=O)NC)C2)nn1 1015817481 HDUWFTHSLZOEAP-LLVKDONJSA-N 306.370 -0.596 30 20 DBED C=CCN1CCC2(CC1)C[C@H]2NC(=O)Cn1ncn(C)c1=O 1016701369 WLNRESCMNFCLSU-GFCCVEGCSA-N 305.382 -0.262 30 20 DBED C=CCn1cc(C(=O)N2CCC3(CN(C(=O)COC)C3)C2)nn1 1018691805 WATYXGTTWIANMF-UHFFFAOYSA-N 319.365 -0.215 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]2CN(C(=O)c3cc(=O)n(C)o3)C[C@H]21 1022563984 DOIVWLFIDHBMED-GARJFASQSA-N 318.333 -0.189 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)C(N)=O)C23CCC3)[nH]1 1025902593 JWCROCLHCINHPV-QWRGUYRKSA-N 315.333 -0.471 30 20 DBED C[C@@H](C(=O)NC1CC1)N1CC(NC(=O)c2c[nH]c(C#N)c2)C1 1030236904 UHKGFWQPDKUQCW-VIFPVBQESA-N 301.350 -0.033 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2CCCN1C(=O)CNC1=O 1032317981 DRZGNSKGKUJWTH-SRVKXCTJSA-N 319.365 -0.627 30 20 DBED C#CCCN1CCCC[C@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 1034531197 JGCQFHVVJDSYLX-STQMWFEESA-N 313.423 -0.328 30 20 DBED N#Cc1ccc(C(=O)NC[C@@H]2CN([C@@H]3CCNC3=O)CCO2)[nH]1 1035342105 JZGZNKBXJWAURH-DGCLKSJQSA-N 317.349 -0.795 30 20 DBED Cn1nnc2c1C[C@H](C(=O)NC[C@@H]1CN(CC#N)CCO1)CC2 1035492500 XVVXGUYJRVFPLS-VXGBXAGGSA-N 318.381 -0.739 30 20 DBED C#CCN[C@@H]1CCN(C(=O)CCn2ncn(C)c2=O)C[C@@H]1CC 1037887835 RTMAKAIUFGEHBK-UONOGXRCSA-N 319.409 -0.178 30 20 DBED C=CCCn1cc(C(=O)NC[C@@H]2CCN2[C@@H](C)C(N)=O)nn1 1038791366 XUUKCGLSAPDOCA-QWRGUYRKSA-N 306.370 -0.468 30 20 DBED Cc1nonc1C(=O)NC[C@]1(O)CCN(C(=O)C#CC2CC2)C1 1040220436 JZRWJGJMQUNUPZ-OAHLLOKOSA-N 318.333 -0.515 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)CCc2cn[nH]c2)C1 1040761353 CLAZVZIPNYCMGD-NHYWBVRUSA-N 319.365 -0.418 30 20 DBED Cc1c[nH]nc1C(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1O 1041004521 NIRWUIJRRNPYPT-VXGBXAGGSA-N 312.333 -0.036 30 20 DBED C=CCCC1(C(=O)N2CC(O)(CNC(=O)CNC(N)=O)C2)CC1 1041385442 ZLCUOLNVDGOZMQ-UHFFFAOYSA-N 324.381 -0.909 30 20 DBED C[C@@H]1CN(c2nccnc2C#N)C[C@H]1NC(=O)[C@H]1CCC(=O)N1 1041794491 IANPVPWYRLXEDW-CKYFFXLPSA-N 314.349 -0.432 30 20 DBED Cc1cncc(C(=O)NCC2(O)CN(C(=O)[C@H](C)C#N)C2)c1 1042289762 QLTXJRPQMHRICB-LLVKDONJSA-N 302.334 -0.147 30 20 DBED C=CCN1CC[C@H]2CCN(C(=O)Cn3c(O)nnc3O)C[C@@H]21 1042327393 WTYYSTSMRCHJIH-QWRGUYRKSA-N 307.354 -0.202 30 20 DBED C[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1NC(=O)c1nnn(C)n1 1042422848 MUSDEUFARPQCMX-BXKDBHETSA-N 312.337 -0.269 30 20 DBED CCOCC(=O)N1CC(O)(CNC(=O)c2c[nH]c(C#N)c2)C1 1042666856 OJEOAQWSSHQWJX-UHFFFAOYSA-N 306.322 -0.774 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)c2coc(C)n2)C1 1042748113 TYIJOKFPWFORGM-UHFFFAOYSA-N 321.333 -0.674 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(O)CN(C(=O)CCOCC)C1 1042805957 AXOKGIADDIJZKQ-AWEZNQCLSA-N 314.382 -0.570 30 20 DBED C#CCC1(C(=O)NCC2(O)CN(C(=O)c3ncc[nH]3)C2)CCC1 1043348491 QJDBSDANZGSNFL-UHFFFAOYSA-N 316.361 -0.094 30 20 DBED Cc1ncc(CC(=O)NCC2(O)CN(C(=O)C#CC(C)C)C2)o1 1043449602 PKHXMRNMSFMOBB-UHFFFAOYSA-N 319.361 -0.126 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)COCCC=C)C1 1043567242 BFWSVGLXAQTVJQ-UHFFFAOYSA-N 324.377 -0.692 30 20 DBED C=C(C)CCC(=O)N1CC(O)(CNC(=O)Cn2ccnc2)C1 1043715728 YNRYPYIRPOLXKN-UHFFFAOYSA-N 306.366 -0.071 30 20 DBED C=C(C)CCC(=O)N1CC(O)(CNC(=O)C[C@H]2CCC(=O)N2)C1 1043842538 SGPBYHDSAPXEGC-GFCCVEGCSA-N 323.393 -0.299 30 20 DBED C=C(C)CCN1CC(N(C)C(=O)c2cn(C)c(=O)n(C)c2=O)C1 1043995434 BDXCGUVEQNITQB-UHFFFAOYSA-N 320.393 -0.194 30 20 DBED C#Cc1ccc(C(=O)N(C)C2CN(Cc3nc(O)n[nH]3)C2)cn1 1044205680 FAHJPQCKPSFWHR-UHFFFAOYSA-N 312.333 -0.157 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)CCn2cccn2)C1 1045541599 YVMZVIDOWGOUTE-NSHDSACASA-N 305.338 -0.878 30 20 DBED C=CCCN1CC[C@@H](N2CCN(C(=O)Cn3ncnn3)CC2)C1 1046029726 AFDDAISXZIYGDI-CQSZACIVSA-N 319.413 -0.532 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)C2CCN(C(C)=O)CC2)C1 1047621230 JTGICPFHHLGHGS-HOTGVXAUSA-N 321.421 -0.228 30 20 DBED C#CCOCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCO2)C1 1048165530 BUAMQHQPWIQZGD-MELADBBJSA-N 324.377 -0.765 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cc[nH]c2)C1 1048957661 LRXBGSTYRJYDJY-XBFCOCLRSA-N 319.361 -0.303 30 20 DBED N#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1nccnc1C(N)=O 1049884703 LFGMQMTWROBEMM-WDEREUQCSA-N 314.349 -0.222 30 20 DBED C=CCN1CC[C@@H](NCC[C@H]2CCN(C(=O)C(N)=O)C2)C1=O 1050230725 ORIMZUNNMXDEAP-NWDGAFQWSA-N 308.382 -0.913 30 20 DBED CC#CCN1CCC2(CC1)CN(C(=O)C1CC(=O)NC(=O)C1)C2 1050699029 AJMCQXBVCDGZLP-UHFFFAOYSA-N 317.389 -0.013 30 20 DBED C=CCCC(=O)N[C@H](C)[C@@H]1CCN(C(=O)Cn2ncnn2)C1 1050807646 HKDRUEJRAQCOOK-VXGBXAGGSA-N 306.370 -0.008 30 20 DBED C#CCN1CCC(C(=O)NC[C@H]2COCCN2CC#C)CC1 1051254391 IDADPMJHLBIJBO-INIZCTEOSA-N 303.406 -0.218 30 20 DBED N#Cc1cc(C(=O)N2CCO[C@H](CN[C@H]3CCNC3=O)C2)c[nH]1 1051561987 DOPXCMTUOQQQMM-OLZOCXBDSA-N 317.349 -0.795 30 20 DBED CC(C)C#CC(=O)N1C[C@H](C)[C@H](CNC(=O)Cn2ncnn2)C1 1052553054 GBWWBNKPIDWQRM-QWHCGFSZSA-N 318.381 -0.457 30 20 DBED N#CCN1CCC[C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)CC1 1052946404 SFDWEJJMXBLFOI-GHMZBOCLSA-N 300.384 -0.828 30 20 DBED C#CCN1CC2(C1)CN(C(=O)c1cnc3cccnn13)CCO2 1053460699 GVNMQLDIABAKBM-UHFFFAOYSA-N 311.345 -0.111 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)c3cc(C(N)=O)cn3C)CO2)C1 1053858779 REUFDTLQQLUARZ-GFCCVEGCSA-N 316.361 -0.670 30 20 DBED CN(C)c1ccc(C(=O)N[C@@H]2COC3(C2)CN(CC#N)C3)nn1 1053985520 SITOLMCAHXMJFP-NSHDSACASA-N 316.365 -0.361 30 20 DBED C[C@H]1CN(C(=O)c2cnc3c(c2)NC(=O)CO3)C[C@@H]1NCC#N 1054866550 JDWHDNPHYLTVAF-CABZTGNLSA-N 315.333 -0.014 30 20 DBED C[C@H](C(=O)N1CCN(c2cncc(C#N)n2)CC1)n1cncn1 1055754010 IJGYYMQQYWPNIT-LLVKDONJSA-N 312.337 -0.150 30 20 DBED Cc1cc(N2CCN(C(=O)c3nnn(C)n3)CC2)c(C#N)cn1 1055979513 LFACFKNLMDZVAK-UHFFFAOYSA-N 312.337 -0.252 30 20 DBED N#Cc1ccc(N2C[C@H]3[C@H](NC(=O)[C@H]4CNC(=O)N4)[C@H]3C2)cn1 1056391782 GVSBNAJCKXYXAH-XQHKEYJVSA-N 312.333 -0.815 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)c1cccc(O)n1 1057278638 KUUQQVIBDCTSQH-JTQLQIEISA-N 306.322 -0.502 30 20 DBED Cn1cccc1C(=O)NCCN(CCO)C(=O)C#CC1CC1 1057531737 XFZBDJICONGAHY-UHFFFAOYSA-N 303.362 -0.011 30 20 DBED C#CCC1(C(=O)N(CCO)CCNC(=O)c2cnon2)CCC1 1057821642 NEUPENIFGYSFLE-UHFFFAOYSA-N 320.349 -0.186 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)C[C@@H]1CCC(=O)N1 1058073113 CHOYMTMNGKJNIM-ZDUSSCGKSA-N 323.393 -0.748 30 20 DBED C=C[C@@H](C)[C@@H](C)C(=O)N(CCO)CCNC(=O)CC(=O)NC 1058436143 XCPZOBNALBKARQ-VXGBXAGGSA-N 313.398 -0.482 30 20 DBED CCc1nc(C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N)co1 1058653583 ZFTUKWABZDKZKA-JTQLQIEISA-N 308.338 -0.053 30 20 DBED C=C1CC(C)(C(=O)N(CCO)CCNC(=O)c2nnn(C)n2)C1 1058773759 WCUFQPCYGVFNNU-UHFFFAOYSA-N 322.369 -0.883 30 20 DBED CN1C[C@@H](C(=O)N2CC[C@H](N=c3cc[nH]cc3C#N)C2)NC1=O 1059023164 PEUGVKNATDQBJG-AAEUAGOBSA-N 314.349 -0.588 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CC[C@H](NC(=O)CCNC(N)=O)CC1 1060731684 KHWNOLDGZMDIAQ-SRVKXCTJSA-N 323.397 -0.004 30 20 DBED O=C(C#CC1CC1)NC[C@H]1COCCN1C(=O)c1cc[nH]n1 1061570030 REQKRERBJWNTFW-LBPRGKRZSA-N 302.334 -0.220 30 20 DBED Cn1ncc(C(=O)NC2(CNC(=O)CSCC#N)CCC2)n1 1062578990 FVXZZDYPQNVJEJ-UHFFFAOYSA-N 322.394 -0.159 30 20 DBED Cn1cc(C(=O)N[C@H]2[C@H]3C[C@H]2N(c2nccnc2C#N)C3)nn1 1064241269 DRDFWZRSAWMMGB-AXTRIDKLSA-N 310.321 -0.516 30 20 DBED C=C[C@@](C)(O)CC(=O)NC1(CNC(=O)[C@H]2CNC(=O)N2)CCC1 1064272537 PEDNIRUSTFXXBG-QMTHXVAHSA-N 324.381 -0.850 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)[C@H]2CCCC(=O)N2)CCC1 1064305411 STJQHJKULSBLHL-GHMZBOCLSA-N 306.366 -0.030 30 20 DBED C=C[C@@](C)(O)CC(=O)NC1(CNC(=O)Cc2nc[nH]n2)CCC1 1064605221 NIZXUXDNZPINAS-CQSZACIVSA-N 321.381 -0.171 30 20 DBED C=C(C)CCC(=O)NC[C@H]1CN(C(=O)CC(=O)NC)CCO1 1065082399 VPCKHZHDCATFHA-LBPRGKRZSA-N 311.382 -0.178 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@H](CNC(=O)CC2(O)CCC2)C1 1065557690 UJKYLSGGGYPWQO-VXGBXAGGSA-N 309.366 -0.205 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC[C@H](NC(=O)c2nc[nH]n2)CC1 1066389477 FGLFHJNLEHNOLB-NEPJUHHUSA-N 319.365 -0.046 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](CNC(=O)c3cc[nH]n3)C2)nc1 1067651577 NPLMOILKQNPNMF-YPMHNXCESA-N 312.333 -0.097 30 20 DBED C=CCCC(=O)NC[C@@H]1CCC2(CN(C(=O)CNC(N)=O)C2)O1 1068533689 XXTAGWNLUFVNDG-NSHDSACASA-N 324.381 -0.503 30 20 DBED C=CCCCC(=O)N[C@@H]1COC2(C1)CN(C(=O)CC(N)=O)C2 1068994379 FZDVPWYITJHGBJ-NSHDSACASA-N 309.366 -0.296 30 20 DBED CN(C(=O)[C@@H]1CNC(=O)N1)C1CC(N=c2cc[nH]cc2C#N)C1 1069792306 JRELBDDCVBOSRU-XIVSLSHWSA-N 314.349 -0.542 30 20 DBED C#CCN1CC[C@@H](c2n[nH]cc2CNC(=O)c2cn(C)nn2)C1 1070408635 XUKARRTWYUCPRO-LLVKDONJSA-N 313.365 -0.109 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCC[C@@H](NC(=O)c2nc[nH]n2)C1 1070672566 MKCYXTWFDNATJD-QMTHXVAHSA-N 307.354 -0.147 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCCN(C(=O)Cc2nc[nH]n2)C1 1071376913 GBAWOLYHIGFLKW-GFCCVEGCSA-N 319.365 -0.506 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)C(=O)NCC1CC1 1072038695 IMNNLVNEINABGB-BXUZGUMPSA-N 317.389 -0.111 30 20 DBED Cn1[nH]c(CN2CCC3(C2)CN(C(=O)C#CC2CC2)C3)nc1=O 1072718624 GKKQGFYCYVNHFW-UHFFFAOYSA-N 315.377 -0.444 30 20 DBED C=CCN1CCO[C@H]2CCN(C(=O)CN3CCOCC3)C[C@@H]21 1074219864 XDCWNMJTWAJQGD-GJZGRUSLSA-N 309.410 -0.194 30 20 DBED CC#CCN1CCO[C@H]2CCN(C(=O)c3cnnn3C)C[C@H]21 1074232460 ABCALNDVJZRIOU-KGLIPLIRSA-N 303.366 -0.246 30 20 DBED C#CCCN1CCO[C@@H]2CCN(C(=O)Cc3nc[nH]n3)C[C@H]21 1074380755 UCVQCRLUKUPFCW-CHWSQXEVSA-N 303.366 -0.328 30 20 DBED C[C@H](C#N)C(=O)N1CCC(O)(CNC(=O)CCCC(N)=O)CC1 1074706328 JBDDCJYIPCXPIC-LLVKDONJSA-N 324.381 -0.729 30 20 DBED C[C@@H](CCNC(=O)C#CC1CC1)NC(=O)C1(NC(N)=O)CC1 1076423490 LWUNUDJIXKPYCT-JTQLQIEISA-N 306.366 -0.388 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)c2cc(OC)nc(OC)c2)C1 1077305785 WHKFMNRSGDOOKE-CHWSQXEVSA-N 319.361 -0.103 30 20 DBED C[C@@H](CCNC(=O)[C@H](C)C#N)NC(=O)CCn1ncn(C)c1=O 1078135252 UXZKFZXVFGVMJJ-MNOVXSKESA-N 322.369 -0.857 30 20 DBED C#CCO[C@H](C)C(=O)N(C)[C@@H]1CCCN(C(=O)CC(N)=O)CC1 1078959643 MTRFPSCKYXHWRS-CHWSQXEVSA-N 323.393 -0.260 30 20 DBED C=CCOCC(=O)N1CC(N(CC)C(=O)CNC(=O)OC)C1 1079392600 ZGDLRSORUSFKBV-UHFFFAOYSA-N 313.354 -0.396 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@H]2CN3CC4CC3(CO2)C4)[C@H](C)C1 1080164427 ASCGZGUGFIRWSU-RJZXRHAOSA-N 303.406 -0.081 30 20 DBED Cc1nc(O)nc(O)c1CC(=O)N[C@@H]1CN(CC#N)C[C@H]1C 1080663990 BIJKINCLGJJQRV-LDYMZIIASA-N 305.338 -0.301 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)c2cnon2)C[C@H]1O 1081439239 NRPKQYJLAYBTAI-ZYHUDNBSSA-N 306.322 -0.578 30 20 DBED O=C(Cc1cnoc1)NC[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 1081679796 OXBOIVNSKIUNRF-KBPBESRZSA-N 317.345 -0.434 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@H](CNC(=O)Cc2nc[nH]n2)C1 1081791826 XEFFBZPMGRWWNU-MNOVXSKESA-N 307.354 -0.751 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1ccnn1CCOC 1083115660 SWGBLFBXMRKPOW-LSDHHAIUSA-N 318.377 -0.312 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cn2cccnc2n1 1083129708 AGKORQSDAAFXED-QWHCGFSZSA-N 312.333 -0.222 30 20 DBED COc1ccnc(OC)c1C(=O)N[C@@H]1CN(CC#N)C[C@@H]1O 1083635244 KFIFUERPHSQEFX-ZJUUUORDSA-N 306.322 -0.603 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCCN2C(=O)CCC)C1 1084084817 BWRKSGCZEQDHFX-MCIONIFRSA-N 307.394 -0.428 30 20 DBED C#CCN1CCC[C@@H]2[C@@H](NC(=O)Cn3ncnn3)C(C)(C)[C@@H]21 1087286745 WKYXYWQNHSQRLA-MRVWCRGKSA-N 302.382 -0.089 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)[C@H]1C 1088895684 QRBMFEGEJCMPGU-MNOVXSKESA-N 322.365 -0.438 30 20 DBED C[C@@H](C[C@@H](C)N=c1cc[nH]c(C#N)n1)NC(=O)CCNC(N)=O 1089317851 ANXIRBWIWAAUTL-ZJUUUORDSA-N 319.369 -0.476 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2ccnc3ccnn23)[C@@H](O)C1 1090324553 XFRLBOBQSFTQIZ-OCCSQVGLSA-N 313.361 -0.082 30 20 DBED C=CCCC(=O)N[C@@H]1CN(c2ncnc3[nH]cnc23)C[C@H]1O 1090394010 BIHPGWJQPOFTOK-NXEZZACHSA-N 302.338 -0.015 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CN(c2cc(F)ncn2)C[C@H]1O 1090444965 AISPPQJNLWLCOW-HBNTYKKESA-N 310.329 -0.128 30 20 DBED C=CCN1CC[C@H](NC(=O)c2c(C)c[nH]c2CC(N)=O)[C@H](O)C1 1090582576 DPYUKJBHRSIMDQ-WCQYABFASA-N 320.393 -0.298 30 20 DBED N#Cc1cncc(N2C[C@H]3C(NC(=O)CCc4nc[nH]n4)[C@@H]3C2)n1 1093238646 FJEHUUHKBIPOAU-GHMZBOCLSA-N 324.348 -0.350 30 20 DBED C#CCNC1CCC2(CC1)CN(C(=O)Cn1ncnn1)CCO2 1093397828 FJNCDDCAEMQBNX-UHFFFAOYSA-N 318.381 -0.564 30 20 DBED CCCNC(=O)CCCC(=O)NCCN=c1cc[nH]c(C#N)n1 1093757417 QQINAYYRDMMNKQ-UHFFFAOYSA-N 318.381 -0.005 30 20 DBED CC(C)N1CCO[C@H](C(=O)NCCNc2nccnc2C#N)C1 1094082883 IKPFSUQKHIWUSN-ZDUSSCGKSA-N 318.381 -0.014 30 20 DBED C#CCCN1CC(N2C[C@H](NC(=O)c3cnccn3)CC2=O)C1 1094698716 JLEPZBBPHCDRPL-GFCCVEGCSA-N 313.361 -0.485 30 20 DBED CN1C(=O)CC[C@@H]1CC(=O)NCCCN=c1cc[nH]c(C#N)n1 1094699067 IBRUETCWFMVLFQ-LLVKDONJSA-N 316.365 -0.301 30 20 DBED N#Cc1nc(=NCCCNC(=O)c2ccc(C(N)=O)o2)cc[nH]1 1094898662 FLVMUSUIYMQFEL-UHFFFAOYSA-N 314.305 -0.306 30 20 DBED CN1CCN(CC(=O)N2C[C@H]3C[C@H](NCC#N)C[C@H]2C3)CC1=O 1094950596 LOFRNYTXGMDGIL-MELADBBJSA-N 319.409 -0.747 30 20 DBED CC(=O)N[C@@H](C)C(=O)NCCCN(C)c1ccnc(C#N)n1 1095487597 ZBWWSVMCWAPISY-JTQLQIEISA-N 304.354 -0.185 30 20 DBED COC[C@H](OC)C(=O)N[C@@H]1CCN(c2ccc(C#N)nn2)C1 1096482058 HHGYUMWVLJFBHR-NEPJUHHUSA-N 305.338 -0.295 30 20 DBED Cc1nc(N[C@H]2CCN(C(=O)CNC(N)=O)C2)ccc1C#N 1096916111 GCMITASOLSENEZ-NSHDSACASA-N 302.338 -0.057 30 20 DBED C[C@H](CNC(=O)CN1CCOCC1)Nc1ccc(C#N)nn1 1097785057 ZSZMQOSQLNWZOC-LLVKDONJSA-N 304.354 -0.403 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)c2ccsn2)[C@H](O)C1 1099887966 MZDTXLQLGOIESO-CMPLNLGQSA-N 322.390 -0.943 30 20 DBED C=C1CC(C)(C(=O)N[C@H]2CCN(CCOCCO)C[C@@H]2O)C1 1099994639 UWOGWTDVTRTLHW-KBPBESRZSA-N 312.410 -0.097 30 20 DBED CC(=O)N1CC(C(=O)NCCN(C)c2ncccc2C#N)C1 1100077403 DXYKIKGCWUQDNP-UHFFFAOYSA-N 301.350 -0.016 30 20 DBED COCC(=O)N(C)CC(=O)NCCN(C)c1cncc(C#N)n1 1100375046 PCECEUDNNSLAJH-UHFFFAOYSA-N 320.353 -0.995 30 20 DBED CN(CCNC(=O)CN1CCCNC1=O)c1ccc(C#N)nc1 1100408673 ZBJJVAINJMJLPV-UHFFFAOYSA-N 316.365 -0.079 30 20 DBED C=CCNC(=O)CNC1CC(CNC(=O)c2[nH]c(O)nc2C)C1 1100425316 BFBZOCFLPSFZRB-UHFFFAOYSA-N 321.381 -0.176 30 20 DBED CCN(CCNC(=O)[C@@H]1CN(C)C(=O)N1)c1nccnc1C#N 1100695939 DWBKNAGFOSTBRT-NSHDSACASA-N 317.353 -0.686 30 20 DBED N#Cc1cnc(N2CC[C@H](CNC(=O)CCCC(N)=O)C2)cn1 1100988007 CSHNRACWYWHDMS-LLVKDONJSA-N 316.365 -0.054 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1CNC(=O)c1cnccn1 1101683153 QDCQIIWWNUOCIG-VXGBXAGGSA-N 316.365 -0.586 30 20 DBED CNC(=O)CC(=O)NCC[C@@H]1CN(CC#CCOC)C[C@H]1C 1102898836 ZOCXXGNNNFIINK-ZIAGYGMSSA-N 309.410 -0.154 30 20 DBED CC[C@@H](CNC(=O)Cn1cnnc1O)N=c1cc[nH]c(C#N)n1 1103066467 ZGAYDKDDEDLMJL-VIFPVBQESA-N 316.325 -0.926 30 20 DBED CC[C@H](CNC(=O)[C@@H]1CCNC1=O)N=c1cc[nH]cc1C#N 1103260061 YZKVKKNAWQKLTQ-VXGBXAGGSA-N 301.350 -0.182 30 20 DBED CNC(=O)NCC(=O)NC[C@H](C)CNc1cnc(C#N)cn1 1104246252 NKSZCWLNUGGQKA-SECBINFHSA-N 305.342 -0.559 30 20 DBED C#CCNCc1cn(C2CN(C(=O)[C@H]3C[C@]34CCOC4)C2)nn1 1105357884 MKTDBFARNYEUGY-ZBFHGGJFSA-N 315.377 -0.189 30 20 DBED Cc1ocnc1C(=O)NC[C@H](O)CNc1nccnc1C#N 1105730350 YWNWBXZGQKGBJJ-SECBINFHSA-N 302.294 -0.153 30 20 DBED Cc1noc(C)c1C(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1 1105744042 JBRZKXHMAGDNQW-SNVBAGLBSA-N 316.321 -0.422 30 20 DBED C[C@@H](C(=O)NC[C@@H](O)CNc1ccc(C#N)nn1)n1cccn1 1105766746 DXLUSHJQRRETFD-JQWIXIFHSA-N 315.337 -0.305 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CN=c1ccc2ncc[nH]c-2n1 1105773501 IOIAMMCJEIEBHM-VHSXEESVSA-N 300.322 -0.553 30 20 DBED N#Cc1ccc(C(=O)NC[C@H](O)CN=c2cc[nH]c(C#N)n2)[nH]1 1105788869 OVVIWPOISRPIJC-SNVBAGLBSA-N 311.305 -0.827 30 20 DBED Cc1nccc(C(=O)NC[C@H](O)CNc2cnc(C#N)cn2)n1 1105861929 NFDOQOYPSQHMCF-LLVKDONJSA-N 313.321 -0.351 30 20 DBED Cc1nc[nH]c1C(=O)NC[C@H](O)CNc1ccc(C#N)nn1 1105888613 VFKJTWDQKVPREF-SNVBAGLBSA-N 301.310 -0.417 30 20 DBED Cn1cncc1CC(=O)NC[C@H](O)CNc1ccc(C#N)nc1 1105914370 VBKXOGAWUCNVHI-CQSZACIVSA-N 314.349 -0.182 30 20 DBED COCCCOCC(=O)NC[C@@H](O)CNc1ccc(C#N)nn1 1105959541 OTZWGSCBXCCEJK-LBPRGKRZSA-N 323.353 -0.710 30 20 DBED C[C@@H](CCNc1nccnc1C#N)NC(=O)[C@@H]1CCC(=O)N1 1106393332 LSZVWYHCRUUPMT-UWVGGRQHSA-N 302.338 -0.066 30 20 DBED Cc1nc(CC(=O)N[C@H](C)CNc2ccc(C#N)nn2)n[nH]1 1107721143 BWCROXNQBGWWMB-MRVPVSSYSA-N 300.326 -0.066 30 20 DBED C[C@@H](C(=O)NC[C@]1(C)CN(CC(=O)NCC#N)CCO1)C1CC1 1107845544 IJEHVVIQJDBENO-MLGOLLRUSA-N 322.409 -0.121 30 20 DBED C[C@H](CNc1nccnc1C#N)NC(=O)[C@@]1(C)CNC(=O)C1 1108016756 PDHUQFSPTKHSFD-YMTOWFKASA-N 302.338 -0.209 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)[C@@H]2CCCS2(=O)=O)C1 1108408441 GGNJBFFNAAKVSM-GXTWGEPZSA-N 314.407 -0.596 30 20 DBED C#CCCN1CCO[C@](C)(CNC(=O)C(C)(C)NC(=O)NC)C1 1108417519 CPRPRJUHMJRSAV-MRXNPFEDSA-N 324.425 -0.076 30 20 DBED C[C@@H](CNc1nccnc1C#N)NC(=O)C[C@H]1CC(=O)NC1=O 1108435688 NAHNOYUAVTXKLV-IUCAKERBSA-N 316.321 -0.682 30 20 DBED CC#CCN1CC(N2C[C@@H](NC(=O)[C@@H](CC)OC)CC2=O)C1 1108517779 OBYHIFFMHGFVLK-GXTWGEPZSA-N 307.394 -0.164 30 20 DBED CSCC(=O)N1C[C@H]2C[C@@H](NCC(=O)NCC#N)C[C@H]1C2 1108611567 FOTFCWWAFXYEHH-QJPTWQEYSA-N 310.423 -0.042 30 20 DBED C#CCNC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cnn[nH]1 1109482220 SQEDJXISRFGJJX-NOHGZBONSA-N 316.365 -0.722 30 20 DBED CNC(=O)NCC(=O)N(C)CCCN=c1cc[nH]cc1C#N 1109655637 FYNLOKNBDQNGGH-UHFFFAOYSA-N 304.354 -0.435 30 20 DBED Cc1cc(=NC2(CNC(=O)[C@H]3CCNC3=O)CC2)c(C#N)c[nH]1 1110301684 NGBFRFCSJHDEFF-LBPRGKRZSA-N 313.361 -0.120 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2[C@@H](CC)C(N)=O 1110465494 GBLABGXIMMZKMT-NDBYEHHHSA-N 320.393 -0.889 30 20 DBED CCOCCC(=O)NC[C@]1(O)CCN(c2nccnc2C#N)C1 1111041163 GILLQIPZLDMVFE-OAHLLOKOSA-N 319.365 -0.168 30 20 DBED CNC(=O)CC(=O)NC[C@@]1(O)CCN(c2ccncc2C#N)C1 1111063058 XYFDVQKBOCPFOC-HNNXBMFYSA-N 317.349 -0.853 30 20 DBED N#Cc1cnccc1N1CC[C@@](O)(CNC(=O)c2cnon2)C1 1111091479 RMWFVXSVHWGRIS-CQSZACIVSA-N 314.305 -0.293 30 20 DBED C=CCNC[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CC(=O)NC(=O)N1)C2 1112537121 QVLVQGHBCXVQPV-MKBNYLNASA-N 320.393 -0.011 30 20 DBED C[C@@H](CC(N)=O)C(=O)NC[C@@H](C)N(C)c1cncc(C#N)n1 1113799631 JYPFZUUKDJORKK-VHSXEESVSA-N 304.354 -0.199 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1[C@@H]2CN(CC(=O)Nc3nncs3)C[C@@H]21 1114066442 CJEIHALSLHZRLI-REIXXSIJSA-N 320.378 -0.317 30 20 DBED N#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3cc(F)c[nH]3)[C@H]2C1 1114581855 NIMTYKJXSWYLEB-UWVGGRQHSA-N 305.313 -0.546 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)c3nonc3C)[C@H]2C1 1115346376 VLTCNJRBDNUNCP-DCQANWLSSA-N 319.365 -0.271 30 20 DBED C[C@H](CN(C)C(=O)[C@@H]1[C@H]2COC[C@H]21)N=c1cc[nH]c(C#N)n1 1120486046 MULXTAVHMHBLTL-PUHVVEEASA-N 301.350 -0.079 30 20 DBED CC[C@H](OC)C(=O)NC[C@@H](CO)N=c1cc(C)[nH]cc1C#N 1121182800 DYPSUXFTSCHJPQ-JSGCOSHPSA-N 306.366 -0.002 30 20 DBED C=CCCC(=O)NC[C@H](CO)Nc1nc(O)c2cnn(C)c2n1 1121198113 OJINIHWXNUXPRD-SECBINFHSA-N 320.353 -0.076 30 20 DBED N#Cc1cnc(N[C@H](CO)CNC(=O)[C@@H]2CCC(=O)N2)c(F)c1 1121819325 RCGKQFRJIORFNF-ONGXEEELSA-N 321.312 -0.740 30 20 DBED CCN(C)C(C)(C)C(=O)NC[C@H](CO)Nc1cnc(C#N)cn1 1122190358 OPXRNDVKKLCZME-GFCCVEGCSA-N 320.397 -0.032 30 20 DBED C[C@@H]1OCCO[C@@H]1C(=O)NC[C@H](CO)Nc1ccc(C#N)cn1 1122776490 UKBQCNJKWCQHIS-SUHUHFCYSA-N 320.349 -0.354 30 20 DBED C#CC1(O)CCN(C(=O)NCCS(=O)(=O)C(C)C)CC1 1123651116 KGWHGHJJLSSXMS-UHFFFAOYSA-N 302.396 -0.021 30 20 DBED COC[C@@H](C)C(=O)N(C)C[C@H](O)CNc1cncc(C#N)n1 1124197628 ZMLWEKPBQVWPHA-ZYHUDNBSSA-N 307.354 -0.138 30 20 DBED CC(C)CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)[C@@H](C)C#N 1124908107 DACDTRMYJOUHRW-WDEREUQCSA-N 311.386 -0.278 30 20 DBED N#Cc1ccc(C(=O)NCCNCc2nnc3n2CCOC3)[nH]1 1125776297 KXZXHGZZCWZWIS-UHFFFAOYSA-N 315.337 -0.472 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCNCC1CCS(=O)(=O)CC1 1126365072 FOFHRYXPIFDJOI-CQSZACIVSA-N 318.439 -0.156 30 20 DBED CNC(=O)CC(=O)N(C)CCOCCNc1nccnc1C#N 1127275874 YDRJTDPUBWRYCW-UHFFFAOYSA-N 320.353 -0.629 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1cncc2nc[nH]c12 1127801382 LOPKSIDCDXHXKO-UHFFFAOYSA-N 302.338 -0.421 30 20 DBED C[C@@H](O)CN1C[C@H](n2ccnn2)[C@H](NC(=O)CSCC#N)C1 1128723781 DSKXNGKBXSSCEV-UTUOFQBUSA-N 324.410 -0.743 30 20 DBED C=CCCCC(=O)N1C[C@H](n2ccnn2)[C@H](N[C@H](C)C(N)=O)C1 1129986806 NCWQSRWEWSEIBJ-UPJWGTAASA-N 320.397 -0.150 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1ncc2ccccn12 1131306403 VRDOKNNRODNGQA-GFCCVEGCSA-N 313.361 -0.208 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2cn(C)nn2)CC[C@@H]1C 1131998703 HYDCLKNQDOIIFL-RYUDHWBXSA-N 318.381 -0.853 30 20 DBED C[C@@H]1CCN(C(=O)c2cn[nH]c2)C[C@H]1CNCC(=O)NCC#N 1132658513 GZQSXUZCRWVHMH-DGCLKSJQSA-N 318.381 -0.263 30 20 DBED C#CCN[C@@H](C)C[C@@H](C)NC(=O)CCn1cc[nH]c(=O)c1=O 1135686710 MBKPOIIQZIQGQI-NWDGAFQWSA-N 306.366 -0.567 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CCc2nc[nH]c2C1 1146993523 BRIBJJQYPMKMTL-VXGBXAGGSA-N 319.409 -0.089 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCN(CCNS(C)(=O)=O)C2)C1 1147225793 WJSRAULQJGQDBF-NSHDSACASA-N 314.411 -0.770 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC2(CN(C(=O)c3nc[nH]n3)C2)C1 1148462591 HWTUVCAIGFDTDO-LLVKDONJSA-N 316.365 -0.910 30 20 DBED C#CCNC(=O)CN1CCCO[C@H](CNC(=O)/C(C)=C/C)C1 1149506218 VDTQLNIQFDDOCK-BRRGFWCPSA-N 307.394 -0.091 30 20 DBED COCCS(=O)(=O)CCCNCCCNC(=O)[C@@H](C)C#N 1155849088 SWLZVYSYBLNLCC-LBPRGKRZSA-N 319.427 -0.307 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)[C@@H]1CCN(C)C1 1156890221 JTAVZUGXGVNPHT-ZIAGYGMSSA-N 308.426 -0.486 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)[C@@H](C)NC(=O)CC 1158664048 ZLXONTKQEYIBDA-NWDGAFQWSA-N 310.398 -0.865 30 20 DBED C=CCNC(=O)CNCCCNC(=O)c1cnc2[nH]ncc2c1 1160684799 OCFPVIFROYGTED-UHFFFAOYSA-N 316.365 -0.030 30 20 DBED C#CCCNCCCNC(=O)c1ccc(=O)n(CCOC)n1 1162097241 JRAMEQVADXMGQV-UHFFFAOYSA-N 306.366 -0.378 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)c1coc(OC)n1 1163395463 DHARJHSRUXQUEM-JTQLQIEISA-N 308.338 -0.469 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)[C@H](CC)NC(C)=O)C1=O 1167186353 VJXWNJCOPPWTAR-UONOGXRCSA-N 324.425 -0.216 30 20 DBED CCN(CCC#N)C(=O)CNCCCNC(=O)c1nc[nH]n1 1168789698 YEZQKGDPGNGRAY-UHFFFAOYSA-N 307.358 -0.724 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)NCCCNC(=O)c1cnon1 1168901213 HVNOUJKZBDZBLP-SECBINFHSA-N 324.341 -0.821 30 20 DBED C[C@@H](CCCCNCC(=O)NCC#N)NC(=O)[C@@H]1CCNC1=O 1174658400 CZALIRTVEJZJBH-NWDGAFQWSA-N 323.397 -0.973 30 20 DBED C#CCCN1CCO[C@@H]2CCN(C(=O)CC(=O)NCC)C[C@@H]21 1176995952 ZHEXHWPHVOKOTO-UONOGXRCSA-N 307.394 -0.162 30 20 DBED C=CCN1CCO[C@@H]2CCN(C(=O)CCNC(=O)NC)C[C@H]21 1176999097 DQGXSGIHBWGCDI-CHWSQXEVSA-N 310.398 -0.207 30 20 DBED CC[C@]1(C(=O)N2CC[C@@H](NCC#CCOC)C2)CCNC1=O 1183392489 WZHPDOPZAGIVJF-CJNGLKHVSA-N 307.394 -0.257 30 20 DBED C=CCNCc1cn([C@@H]2CCCN(C(=O)CNC(N)=O)C2)nn1 1185872408 HRUFBDCHTVOMJA-GFCCVEGCSA-N 321.385 -0.615 30 20 DBED C#CCNC[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)CC12CCOCC2 1186560605 AXSIDUCXZIHNAY-KGLIPLIRSA-N 319.405 -0.257 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H](CC(C)C)C(N)=O)C1 1188467171 PBXILLBOJKXUOX-CHWSQXEVSA-N 322.409 -0.926 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)C2=COCCO2)C1 1188717806 OISINFXQTWVCHE-GFCCVEGCSA-N 307.350 -0.843 30 20 DBED Cc1cc(C(=O)N2CC[C@H](N(C)CC(=O)NCC#N)C2)ncn1 1189673941 NSWDYYFJFJDNGH-LBPRGKRZSA-N 316.365 -0.429 30 20 DBED CCn1ncc(C(=O)N2CC[C@H](N(C)CC(=O)NCC#N)C2)n1 1189983393 KPMRWKVJHYKSNU-NSHDSACASA-N 319.369 -0.916 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(CCOCC(F)F)C[C@H]1O 1191771997 VDLGZOOGHKTMOO-GHMZBOCLSA-N 308.325 -0.368 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCCN(Cc2nnnn2C)CC1 1195652016 FZRZATBVGGEAOP-AWEZNQCLSA-N 308.386 -0.429 30 20 DBED C[C@H](OCc1ccncc1)C(=O)N[C@@H]1CN(CC#N)C[C@H]1O 1196300069 RJQHCNRNPIZJEK-IACUBPJLSA-N 304.350 -0.328 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)c2conc2COC)C1 1197733307 WPDSNDWMLNWSPZ-TZMCWYRMSA-N 323.349 -0.754 30 20 DBED Cc1nccc(C(=O)N2CCCN(CC(=O)NCC#N)CC2)n1 1198121384 IYWOFEGSVLTTPG-UHFFFAOYSA-N 316.365 -0.427 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)C2=COCCO2)CC1 1199169181 JVWRUHQSMNNIGV-UHFFFAOYSA-N 307.350 -0.795 30 20 DBED Cn1nccc1C(=O)N1CCC(NCC(=O)NCC#N)CC1 1199621290 XKTUUWJEMYZETP-UHFFFAOYSA-N 304.354 -0.746 30 20 DBED C[C@@H]1CCCN(C(=O)C(=O)N2CCCO[C@@H](CNCC#N)C2)C1 1201576801 OSTCAZQYKOXTJX-KGLIPLIRSA-N 322.409 -0.024 30 20 DBED Cn1cnn(CCC(=O)N[C@H]2C[C@@H](NCC#N)C23CCC3)c1=O 1203218383 BLXGUHQPXJLPLZ-NEPJUHHUSA-N 318.381 -0.488 30 20 DBED C#CCNC(=O)CC(=O)N1CCC(CNCc2cnon2)CC1 1205049807 IPAHNKKLRBFDJN-UHFFFAOYSA-N 319.365 -0.463 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)CCCOCC)[C@H](C)C1 1206191794 XKLWESBUJDADNN-ZIAGYGMSSA-N 309.410 -0.011 30 20 DBED C=CCn1cc(C(=O)N2CCC(CNCC(=O)NC)CC2)nn1 1206516365 LURMJHRARNEGRD-UHFFFAOYSA-N 320.397 -0.348 30 20 DBED Cn1ccc(C(=O)N2CCC(CNCC(=O)NCC#N)CC2)n1 1206927895 WGMMJABDRKGIDK-UHFFFAOYSA-N 318.381 -0.498 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCN(C(=O)c2ccccn2)C1 1207063126 KLRARPNVYZCCCR-GFCCVEGCSA-N 301.350 -0.084 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)C1(N(C)C)CCC1 1207538541 OKLSAJCGZGCLGA-CHWSQXEVSA-N 321.425 -0.453 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1NC(=O)C[C@]1(C)CCS(=O)(=O)N1 1210636542 VIBKCPMPRDWWJU-WZRBSPASSA-N 314.411 -0.582 30 20 DBED C#CCCN[C@H]1CCCN(C(=O)c2cn(C)c(=O)nc2O)C1 1211057276 LGYQYEUZPDUWAZ-NSHDSACASA-N 304.350 -0.297 30 20 DBED COCC#CCN1C[C@@H](NC(=O)CCn2cncn2)[C@H](OC)C1 1211871178 AVUTVEQVSZVLBQ-ZIAGYGMSSA-N 321.381 -0.867 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)c2ccon2)[C@H](OC)C1 1211947139 MVIGQQGQEFEEEA-RAIGVLPGSA-N 322.365 -0.206 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(Cc2cnc(C)o2)C[C@@H]1O 1219536574 ULFCHHXCNVBWCI-VNHYZAJKSA-N 309.366 -0.029 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(CCOC2CCC2)C[C@@H]1O 1219605216 LZGHINHRFBYHHK-CFVMTHIKSA-N 310.394 -0.245 30 20 DBED C=CC(C)(C)CC(=O)N[C@@H]1CN(Cc2nnnn2C)C[C@@H]1O 1219705152 WKXQLAKKRSUESX-MNOVXSKESA-N 308.386 -0.526 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCC2(C)C)C1 1220176169 MEBKLEPLPHJQGF-XQQFMLRXSA-N 307.394 -0.667 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3[nH]cnc3C)[C@@H]2C1 1222136621 ZSANQDWTTXEWBC-CHWSQXEVSA-N 315.377 -0.386 30 20 DBED COCC#CCN[C@H]1CCCN(C(=O)C[C@@H]2CC(=O)NC2=O)C1 1222156234 CKMFRVNWLJEIBN-STQMWFEESA-N 321.377 -0.730 30 20 DBED N#CCNC(=O)CN1CC[C@@H]2CCN(C(=O)c3cnon3)C[C@@H]21 1223716313 BSYJQPHPQZHSQM-PWSUYJOCSA-N 318.337 -0.754 30 20 DBED CCC(=O)NCC[C@H]1CN(CC#CCOC)CCS1(=O)=O 1230398875 KTEDFMNDIZDCDF-ZDUSSCGKSA-N 316.423 -0.349 30 20 DBED C#CCN1CCS(=O)(=O)[C@H](CCNC(=O)[C@H](C)COC)C1 1230435932 KHCIBLOSEORAIZ-CHWSQXEVSA-N 316.423 -0.493 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC(NC(=O)Cn2ccnc2)CC1 1230438515 UDQUJQFMMKBDKW-ZDUSSCGKSA-N 317.393 -0.398 30 20 DBED CN(C[C@@H]1CCN1CC(=O)NC(N)=O)C(=O)c1c[nH]c(C#N)c1 1233740226 FCRFEXIVPKGRPR-NSHDSACASA-N 318.337 -0.772 30 20 DBED C[C@H]1c2nncn2CCN1C(=O)C(=O)N1CC[C@](O)(CC#N)C1 1261487058 MQMAHPDJDICFFG-IINYFYTJSA-N 318.337 -0.942 30 20 DBED C#CCOCCC(=O)N1CC[C@H](N[C@@H](C)C(=O)NC(=O)NC)C1 1265428913 FURXRNLXYXIXMV-RYUDHWBXSA-N 324.381 -0.939 30 20 DBED CC1(C)OC[C@@H](CNC(=O)C(=O)Nc2cnn(CC#N)c2)O1 1319909783 SLJMMJPORLNTPU-SNVBAGLBSA-N 307.310 -0.387 30 20 DBED C#CCCN(CC(F)(F)F)C(=O)c1cn(CC(N)=O)nn1 1320288898 HMOSAWYUEPPNFB-UHFFFAOYSA-N 303.244 -0.209 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N2CCOCC3(CCC3)C2)CCO1 1325163229 OCSCWDWOEBWIGX-GFCCVEGCSA-N 307.350 -0.234 30 20 DBED Cc1nn(C)c(NC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)c1C 1326087635 KQMBWZLYNVVUMC-AWEZNQCLSA-N 305.338 -0.147 30 20 DBED CN(C(=O)C(=O)NCC1CCC(C#N)CC1)[C@H]1CCNC1=O 1326174549 LHPDUOVEIZRTIE-MCIGGMRASA-N 306.366 -0.221 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N[C@H]1CCN(CC(F)F)C1 1327725172 GWKHPFTXAFMCAJ-ZJUUUORDSA-N 305.325 -0.241 30 20 DBED C#CCOCCNC(=O)C(=O)NC[C@H](C)C(=O)OC(C)(C)C 1327740843 IKZRAHNKFIQKOD-NSHDSACASA-N 312.366 -0.154 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)NCC(=O)N1CCCCC1 1330507885 MRRJYQRILHTIAL-CYBMUJFWSA-N 323.393 -0.340 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CC[C@@](O)(CC#N)C1)[C@@H]1CCCO1 1332244520 VFLHXASEHKQQSQ-HUBLWGQQSA-N 305.334 -0.840 30 20 DBED C=CCN1CCN(CN(C)Cc2nnc3c(=O)[nH]ccn23)C1=O 1333829831 ZUTJVUGCHABFDZ-UHFFFAOYSA-N 317.353 -0.270 30 20 DBED CCn1nccc1CNC(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1334356405 IDCHTKJDRMAPRN-AWEZNQCLSA-N 305.338 -0.604 30 20 DBED COCC#CC(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F 1334404547 HMWGAHOGQGKQCQ-QMMMGPOBSA-N 316.301 -0.425 30 20 DBED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCN(C(C)=O)C1 1334685607 YQLLDSVSTLHDAJ-MGPQQGTHSA-N 323.393 -0.179 30 20 DBED COCC/N=C(/NC[C@@H](O)CN1CCCC1=O)NC(C)(C)C 1335856920 NMYFYDXCWVXTSR-GFCCVEGCSA-N 314.430 -0.050 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)NCC1CCN(C(C)=O)CC1 1346119585 YKRCVZFHSPOLHI-UHFFFAOYSA-N 317.389 -0.154 30 20 DBED CC(C)(CNC(=O)C(=O)N[C@@H]1CC[C@H](C#N)C1)S(C)(=O)=O 1349023978 IMCLKOCYYSQOTH-VHSXEESVSA-N 315.395 -0.266 30 20 DBED C#CCN1CCC[C@H](NC(=O)C(=O)Nc2ccnc(C)n2)C1 1353464052 FNNGIHFWLARIQD-LBPRGKRZSA-N 301.350 -0.063 30 20 DBED C#CCN(CC)c1nnc(CCN(C)S(N)(=O)=O)n1CC 1356371068 BDNBBPOTUJNLGA-UHFFFAOYSA-N 314.415 -0.565 30 20 DBED CC(C)[C@@H]1CN(C(=O)Cn2cc(C#N)c(O)nc2=O)CCN1 1363291297 ZCQMQLLFODDDJX-NSHDSACASA-N 305.338 -0.723 30 20 DBED C=C(Cl)CN[C@H]1C[C@H](NC(=O)CCn2ncn(C)c2=O)C1 1366120231 JGMKDYSNVRGXGR-XYPYZODXSA-N 313.789 -0.039 30 20 DBED C=C(Cl)CN1CC([C@@H](C)NC(=O)CS(=O)(=O)NC)C1 1369097172 CBKSWVVSCUZMGU-SECBINFHSA-N 309.819 -0.275 30 20 DBED C[C@H](C#N)C(=O)NCC1CN(C(=O)C(C)(C)N2CCOCC2)C1 1374898679 VMOMGNWCTFROKD-GFCCVEGCSA-N 322.409 -0.169 30 20 DBED CCCc1cc(C(=O)NC[C@@H](O)CNC(=O)[C@H](C)C#N)no1 1376679199 UNSGZITWGHHYGJ-ZJUUUORDSA-N 308.338 -0.006 30 20 DBED Cc1cc(C)n(CCN2CC(O)(CNC(=O)[C@@H](C)C#N)C2)n1 1380580463 HAOKKUVRQBYZAQ-NSHDSACASA-N 305.382 -0.177 30 20 DBED C[C@H](CNC(=O)c1ccc(C#N)[nH]1)NC(=O)CCc1cnn[nH]1 1386226056 RNINSUZLONMQQP-SECBINFHSA-N 315.337 -0.128 30 20 DBED CN(CCNC(=O)c1cc(C#N)c[nH]1)C(=O)CS(C)(=O)=O 1387677330 RGKXMXUHRCOBDM-UHFFFAOYSA-N 312.351 -0.881 30 20 DBED CCN(CCNC(=O)C(C)(C)S(C)(=O)=O)C(=O)[C@@H](C)C#N 1388454225 JEBAIBVPFPOEHB-JTQLQIEISA-N 317.411 -0.066 30 20 DBED CCN(CCC#N)C(=O)CN1CC(NC(=O)c2cnsn2)C1 1400329209 XHQKVGTVHRSYJA-UHFFFAOYSA-N 322.394 -0.286 30 20 DBED C[C@H](C(=O)N[C@@H]1CCCN(CCCO)C1)n1cnc(C#N)n1 1412975171 FQFIHDXGNOWKCY-VXGBXAGGSA-N 306.370 -0.326 30 20 DBED CN(C[C@H](O)CNC(=O)c1cc(C#N)c[nH]1)C(=O)c1cn[nH]c1 1413234750 UUGSUHBIXKMKCC-LLVKDONJSA-N 316.321 -0.528 30 20 DBED CNC(=O)c1cccc(C(=O)N(C)CCNC(=O)[C@H](C)C#N)n1 1415597797 JKLJBUKUMQTLOC-SNVBAGLBSA-N 317.349 -0.211 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@H](NCC(=O)NC(=O)NC2CC2)C1 1419404768 ZSGVNEFVNVMYLC-FBIMIBRVSA-N 307.354 -0.629 30 20 DBED Cc1c[nH]nc1C(=O)NCCN1CCN(C(=O)[C@@H](C)C#N)CC1 1429782068 MCPLZBOHXLVVBY-NSHDSACASA-N 318.381 -0.248 30 20 DBED C=C(Cl)CNC[C@H](NC(=O)Cn1ncn(C)c1=O)C1CC1 1439469644 NMXOBVJSOKCCMF-NSHDSACASA-N 313.789 -0.181 30 20 DBED CCN(CCC#N)C(=O)CNC[C@H](C)NC(=O)c1cnn[nH]1 1445582309 KZGYKBYKRSZHJO-JTQLQIEISA-N 307.358 -0.725 30 20 DBED CO[C@H]1CC[C@H](NC(=O)CCn2cc(C#N)c(O)nc2=O)C1 1447744762 FQZBXIFERPGKFP-QWRGUYRKSA-N 306.322 -0.106 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](CNC(=O)CCc1cnn[nH]1)C1CC1 1454220068 IQNJMZDJWZNMAW-JOYOIKCWSA-N 304.354 -0.092 30 20 DBED Cc1nn(C)c(C)c1[C@H](O)CNC(=O)[C@H](C)n1cnc(C#N)n1 1457179164 LKNRJTDOHIITBO-WDEREUQCSA-N 317.353 -0.089 30 20 DBED CS(=O)(=O)CC(=O)NCC1(NC(=O)c2cc(C#N)c[nH]2)CC1 1458875179 BJPXMCTVFFPTPN-UHFFFAOYSA-N 324.362 -0.690 30 20 DBED COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1cc(C#N)[nH]c1C 1470889433 VLBYGYKZBPSQRC-IUCAKERBSA-N 306.322 -0.009 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCN(CC(=O)Nc2ccon2)C1 1479952663 PQORVJDIANWETK-GFCCVEGCSA-N 320.349 -0.157 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)c2csnn2)C1 1480113660 GKICYYUWVDSILB-UWVGGRQHSA-N 307.379 -0.520 30 20 DBED C[C@@H](C#N)C(=O)N1CC([C@H](C)NC(=O)CCc2nc[nH]n2)C1 1487164260 QTBGJBQXVNGNAB-UWVGGRQHSA-N 304.354 -0.140 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)CC(N)=O)[C@H]2C)nc1 1572376765 DDZBLOIHDSQULO-PWSUYJOCSA-N 314.345 -0.343 30 20 DBED C=CCCOCC(=O)N[C@@H]1CCN(C(=O)CNC(=O)O)[C@@H]1C 1573360852 ZGXPHRBELMOFNR-GHMZBOCLSA-N 313.354 -0.048 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)CNC(=O)O)CC[C@@H]1C 1573368284 LSBRHPCSIPIOKF-QWRGUYRKSA-N 312.370 -0.475 30 20 DBED N#C[C@H](c1ccccc1)N1CCN(C(=O)C2(O)CNC2)CC1 1574242349 UOLUZUWWELQTCN-CQSZACIVSA-N 300.362 -0.270 30 20 DBED CCCCN(CC(N)=O)c1cnc(C#N)c(-c2nn[nH]n2)n1 1577512986 VHJDADGZXUEARD-UHFFFAOYSA-N 301.314 -0.380 30 20 DBED CCOC[C@H]1CN(c2cnc(-c3nn[nH]n3)c(C#N)n2)CCO1 1578374413 NVDODFQGCOQKBK-SECBINFHSA-N 316.325 -0.230 30 20 DBED CN(C)C[C@@]1(O)CCN(C(=O)C2CC3(CNC[C@H]3C#N)C2)C1 1578412845 VMKGBPCXMDACBL-FYAIKVRKSA-N 306.410 -0.349 30 20 DBED N#C[C@H]1CC[C@@H](NC(=O)NCCn2cnc(-c3nn[nH]n3)n2)C1 1581859987 GCFYPUOMLCEMEL-DTWKUNHWSA-N 316.329 -0.550 30 20 DBED C#CCNC(=O)CN1CCN(c2nc(C)cc(C(=O)O)n2)CC1 1588483999 NNDLYJOMJOMQIL-UHFFFAOYSA-N 317.349 -0.645 30 20 DBED N#CCC1CN(S(=O)(=O)c2cncc(-c3nn[nH]n3)c2)C1 1592673190 AVQGWVABGNYWKX-UHFFFAOYSA-N 305.323 -0.204 30 20 DBED N#CC1(NC(=O)CN2CC[C@@]3(CC(C(=O)O)=NO3)C2)CCC1 1601057263 QPOLTHVWZRLRQB-CQSZACIVSA-N 306.322 -0.146 30 20 DBED N#Cc1ccc(S(=O)(=O)CCN2CC[C@](O)(C(=O)O)C2)cc1 1601110883 MGJPSYGMPYRGTK-CQSZACIVSA-N 324.358 -0.147 30 20 DBED N#Cc1ccnc(C(=O)N(CCN2CCOCC2)CC(=O)O)c1 1601127317 JZDFOCGLJIVRIB-UHFFFAOYSA-N 318.333 -0.188 30 20 DBED C=CCOC[C@@H](NC(=O)/C=C1/SCC(=O)N1C)C(=O)O 1602909813 IFAUGBFKEUBNNR-ITXLNXHTSA-N 300.336 -0.195 30 20 DBED C[C@@H](C#N)C(=O)NC/C=C/CNc1cnc(-c2nn[nH]n2)cn1 1602982965 CKBHHLWESVNEMS-HPOULIHZSA-N 313.325 -0.099 30 20 DBED C[C@]1(CCC(=O)O)NC(=O)N(CN2CCOC[C@@H]2C#N)C1=O 1604573072 YYSGOEQZYDJNIN-TVQRCGJNSA-N 310.310 -0.656 30 20 DBED N#CC1(CS(=O)(=O)N2CC(n3cc(C(=O)O)nn3)C2)CC1 1608175333 DZTMTZHMSXNZIF-UHFFFAOYSA-N 311.323 -0.533 30 20 DBED O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@H]1C[C@@H](C(=O)O)C1 1609031421 DKSATXPTSPJAPL-GGEGECSYSA-N 307.306 -0.260 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)CN(C)C(C)=O)C1 1714319159 ZFHPKAPPEHDZSW-YPMHNXCESA-N 310.398 -0.654 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)C23CCN(CC2)C3)C1 1752600129 VMPMKVQXGAUUPQ-ZDUSSCGKSA-N 304.394 -0.978 30 20 DBED C[C@H](CNC(=O)c1c(C2CC2)cnn1C)NCC(=O)NCC#N 1752880329 SKAQQVYSVLJJBA-SNVBAGLBSA-N 318.381 -0.355 30 20 DBED C=CCNC(=O)CN[C@@H](C)CNC(=O)c1nc[nH]c2nccc1-2 1752884080 AROHCFWRVLZQKU-JTQLQIEISA-N 316.365 -0.080 30 20 DBED C#Cc1ccc(C(=O)N(C)CCNCC(=O)NC(=O)NC)cn1 1753252717 JSANHSVLBLKSLK-UHFFFAOYSA-N 317.349 -0.820 30 20 DBED C#CCNC(=O)CN[C@@H](C)C1CCN(C(=O)c2cn[nH]c2)CC1 1753269021 ALQPVGHEESMYQB-LBPRGKRZSA-N 317.393 -0.011 30 20 DBED C#CCO[C@H](C)C(=O)N(CC)[C@H]1CCN(Cc2nc(O)n[nH]2)C1 1753455536 KSOFZZOWRFFXHL-NEPJUHHUSA-N 321.381 -0.029 30 20 DBED COCC#CCN(C)CCN(C)C(=O)[C@@H]1CCN(C)C(=O)C1 1753857134 GQOZZAVUYDUICP-CQSZACIVSA-N 309.410 -0.105 30 20 DBED COCC#CCN(C)CCN(C)C(=O)[C@]1(C)CCC(=O)NC1 1753860643 FNAQVHOMJXAJPP-MRXNPFEDSA-N 309.410 -0.057 30 20 DBED C#CCOCCC(=O)N[C@@H](CN[C@H]1CCN(C)C1=O)C1CC1 1754438911 IKKFNSOJNXSULC-KBPBESRZSA-N 307.394 -0.259 30 20 DBED COCC#CCNC1CCN(CCNC(=O)[C@@H]2CCOC2)CC1 1754847501 QXHZLXZYQKNGDD-OAHLLOKOSA-N 323.437 -0.157 30 20 DBED CC#CCN1CCOC[C@@H]1CNC(=O)C[C@@H]1CCCC(=O)N1 1754969083 QSLDAWXZMKYMTN-KBPBESRZSA-N 307.394 -0.115 30 20 DBED CN(CCCN(C)C(=O)CN1CCCC1=O)CC(=O)NCC#N 1755032730 CATTUXZRJVRUOB-UHFFFAOYSA-N 323.397 -0.971 30 20 DBED C[C@H]1CN(C(=O)CNC(=O)c2ccccn2)C[C@H]1NCC#N 1755123276 XYTJAVWRCMIGAN-WCQYABFASA-N 301.350 -0.229 30 20 DBED C#CCNC(=O)CN1CC(CCO)(NC(=O)C/C=C(\C)C=C)C1 1755334708 HNHOVDSCRRTJQB-MKMNVTDBSA-N 319.405 -0.189 30 20 DBED C=CCCNC[C@@H](O)CN(C)C(=O)C1CCS(=O)(=O)CC1 1755788823 AFCQKOXMSWHMOU-CYBMUJFWSA-N 318.439 -0.204 30 20 DBED CC#CCNC[C@H](O)CN(C)C(=O)[C@H]1CCc2c[nH]nc2C1 1755796448 QSVHJVYEZBJQJH-JSGCOSHPSA-N 304.394 -0.053 30 20 DBED C#CCN(C)C[C@H](O)CN(C)C(=O)[C@H]1CCc2ncncc2C1 1755802092 PHRWCKZQXFKCHX-ZFWWWQNUSA-N 316.405 -0.034 30 20 DBED CC#CCN(CCNC(=O)[C@]1(C)CCC(=O)NC1)CCOC 1755841121 XHMLVBGPWFXRSJ-MRXNPFEDSA-N 309.410 -0.009 30 20 DBED C=CCOCC(=O)N1CCC[C@H]([C@@H]2CCN(C(=O)C(N)=O)C2)C1 1755925392 UGMCHRRVZNSGLZ-QWHCGFSZSA-N 323.393 -0.239 30 20 DBED C#CCOCCC(=O)NCC1CC(NC(=O)[C@H](C)NC(N)=O)C1 1755933708 CRGDCIQDTVMXSL-UNXYVOJBSA-N 324.381 -0.906 30 20 DBED C=CCOCC(=O)N1CC(CCO)(NC(=O)c2cccn2C)C1 1756076403 AZFAEXRRMZLENH-UHFFFAOYSA-N 321.377 -0.079 30 20 DBED O=C(C#CC1CC1)NC1(CCO)CN(C(=O)c2cnsn2)C1 1756082252 VJHZQFLRADADBV-UHFFFAOYSA-N 320.374 -0.355 30 20 DBED C=CCCCC(=O)NC1(CCO)CN(C(=O)Cn2ncnn2)C1 1756087904 RZGVELUVTDUUHS-UHFFFAOYSA-N 322.369 -0.891 30 20 DBED O=C(C#CC1CC1)NC[C@H](CO)NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 1756519080 BCLYDRCACSSDCN-JHJVBQTASA-N 316.361 -0.480 30 20 DBED C=CCC(C)(C)C(=O)N[C@@H](CO)CNC(=O)c1nnn(C)n1 1756542018 BDVCCWSSLRRGDL-SECBINFHSA-N 310.358 -0.981 30 20 DBED CCn1cc(C(=O)N(C)C[C@H](O)CNC(=O)C#CC2CC2)nn1 1756676279 OATBEBBUGBTWOV-GFCCVEGCSA-N 319.365 -0.740 30 20 DBED CN(C)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC#N)[C@H]2C1 1786703298 FWYQEKDHKQUDFH-IHRRRGAJSA-N 322.409 -0.169 30 20 DBED CN(C)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C#CC(=O)O)C2 1795877546 BFKKMPKQJQZDCH-CLLJXQQHSA-N 321.377 -0.336 30 20 DBED COC(=O)C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)O 70141570 OJCXTKXPJUIJTK-JTQLQIEISA-N 312.303 -0.147 30 20 DBED N#Cc1cccc(NC(=O)C(=O)N2CCN(CCO)CC2)c1 180914933 MVKQQWOSQFTHKL-UHFFFAOYSA-N 302.334 -0.367 30 20 DBED C#CCN(C)CC(=O)N(CCOC)[C@@H]1CCS(=O)(=O)C1 192235215 MPZPPTVAIHIASB-GFCCVEGCSA-N 302.396 -0.787 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@H]3[C@@H](N)CC[C@H]3C2)C1=O 262361720 IXSPREPXENSKEB-AXFHLTTASA-N 320.349 -0.841 30 20 DBED Cn1c(N2CC(=O)N[C@H]3CCCC[C@H]32)c(C#N)c(=O)n(C)c1=O 268236769 VZLJPHXWTDNWPO-WDEREUQCSA-N 317.349 -0.797 30 20 DBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H](C)C(N)=O 268705116 BSXNBYBQSCTFPT-BDAKNGLRSA-N 324.362 -0.785 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1C[C@H](C)S(=O)(=O)[C@@H](C)C1 289725765 ZHIFGCYVCXUYKQ-DCAQKATOSA-N 317.411 -0.106 30 20 DBED N#Cc1ccc(CN2CCN(C(=O)Cn3cnnn3)CC2)o1 289756525 JNBPKVJNRKCTHJ-UHFFFAOYSA-N 301.310 -0.518 30 20 DBED CS(=O)(=O)N1CC[C@H](C/N=C(/O)NC2(CO)CCC2)C1 329788535 RWWFLSNBPRNWOX-SNVBAGLBSA-N 305.400 -0.314 30 20 DBED C[C@H](N[C@@H]1CCC[C@@H]1C#N)C(=O)c1c(N)n(C)c(=O)n(C)c1=O 330803421 BBZYIUNGHKHSJY-IVZWLZJFSA-N 319.365 -0.481 30 20 DBED C[C@H](CS(C)(=O)=O)/N=C(/O)N1CCC[C@H](OCCO)C1 331235128 SSWHJLCDXSQKQY-MNOVXSKESA-N 308.400 -0.193 30 20 DBED CCN(CC)C[C@H](C)/N=C(/O)N1CC[C@H](S(N)(=O)=O)C1 331293841 RCYBFAQQXAFSIG-QWRGUYRKSA-N 306.432 -0.007 30 20 DBED CCOC[C@H](O)CNC(=O)C(=O)N1CCc2ccc(C#N)cc21 339835385 WVGGONRSFLVQBM-CYBMUJFWSA-N 317.345 -0.039 30 20 DBED COC(=O)c1ccc(CCNC(=O)NCC(=O)NCC#N)cc1 343747639 UXKXGDMYSUYHRK-UHFFFAOYSA-N 318.333 -0.045 30 20 DBED COCCCN(C)CCNC(=O)CNc1ccc(C#N)cn1 345339940 TTYKQCBPBMHLKK-UHFFFAOYSA-N 305.382 0.450 30 20 DBED COC(=O)CN(CC#N)CC(=O)NC(=O)NCc1ccco1 348509150 LANJGMXQVSMMIS-UHFFFAOYSA-N 308.294 -0.396 30 20 DBED CCNS(=O)(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 349992562 NTESOUFLKCEBBA-UHFFFAOYSA-N 312.399 -0.424 30 20 DBED COc1cc(C#N)ccc1S(=O)(=O)N(C)[C@@H]1COC[C@@H]1O 352310459 KJFUVKLLWPVYFL-MNOVXSKESA-N 312.347 -0.053 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCc2cc(C)no2)C1=O 355693457 XRJVZPCRMLPEAH-LBPRGKRZSA-N 320.349 -0.155 30 20 DBED Cc1cc(CN2CCN(C(=O)NCC(=O)NCC#N)CC2)on1 358310467 JMQHEOUJMXAALF-UHFFFAOYSA-N 320.353 -0.550 30 20 DBED C#CCN1CCN(C(=O)c2ccc(S(N)(=O)=O)cc2)CC1 383785794 YIIBXIGPABCNSR-UHFFFAOYSA-N 307.375 -0.275 30 20 DBED C=CCCn1cc(C(=O)NCC2CN(S(C)(=O)=O)C2)nn1 424787861 IEEKQZBYYDXCEZ-UHFFFAOYSA-N 313.383 -0.525 30 20 DBED COC(=O)Cn1cc(S(=O)(=O)Nc2ccc(C#N)cn2)cn1 437404186 MDLGCBACRZPQPE-UHFFFAOYSA-N 321.318 0.124 30 20 DBED COC(=O)[C@@H](O)C1CCN([C@@H](C)C(=O)N(C)CCC#N)CC1 441266763 NXENEFJBLZTPIM-AAEUAGOBSA-N 311.382 -0.007 30 20 DBED Cn1c(N[C@@H]2CCn3ccnc3C2)c(C#N)c(=O)n(C)c1=O 489875174 NCYYXLONUASAGZ-SECBINFHSA-N 300.322 -0.421 30 20 DBED C#CCN(CC#CC)C(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 490851900 IRARBZGWZDTQFB-CYBMUJFWSA-N 311.407 -0.064 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@@H](C)c2cncnc2)CC1 491506006 OABZLOVHJBFLGA-ZDUSSCGKSA-N 315.377 -0.526 30 20 DBED CCOC(=O)N1CCN(C(=O)C(=O)N(C)C[C@H](C)C#N)CC1 497218988 FFFZBYIIXOQBMD-LLVKDONJSA-N 310.354 -0.095 30 20 DBED COc1cc(C#N)ccc1S(=O)(=O)NC[C@@H](O)C(=O)O 518216929 OBLOGUFYKXKSFT-MRVPVSSYSA-N 300.292 -0.709 30 20 DBED CN(CCC#N)C[C@@H](O)CN[C@H]1CCN(CC(F)(F)F)C1=O 564856145 JDMQRNGUTIWRJD-QWRGUYRKSA-N 322.331 -0.054 30 20 DBED C=CCOC[C@H](NS(=O)(=O)c1cn(C)c(C)n1)C(=O)O 571320852 PQTUCAIMYVDIQX-VIFPVBQESA-N 303.340 -0.337 30 20 DBED COC(=O)c1ccc(NCCN2CCNC(=O)C2)c(C#N)n1 572736415 VJMAMVHCGGTVGC-UHFFFAOYSA-N 303.322 -0.416 30 20 DBED C=CCOC[C@@H](NS(=O)(=O)CC[C@H]1CCOC1)C(=O)O 580560735 VYFQZOPAZJYFCF-GHMZBOCLSA-N 307.368 -0.012 30 20 DBED C[C@H]1CN(C(=O)C(=O)NC2CCN(CC#N)CC2)[C@@H](C)CO1 588128969 VSCAYFKCLIYBJC-RYUDHWBXSA-N 308.382 -0.274 30 20 DBED CN(CCN1CCCCC1)S(=O)(=O)N1CCO[C@H](C#N)C1 593665101 AQOZZKLWYDEZRM-CYBMUJFWSA-N 316.427 -0.127 30 20 DBED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)NC(CO)CO 613157187 VGDIKLCNZJVKNK-UHFFFAOYSA-N 316.321 -0.078 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N(C)CC(=O)N1CCCC1 619706493 WSTMEXSEIBCGJA-LLVKDONJSA-N 302.400 -0.123 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCCNCC2)C1=O 648119562 FHSZJWURDWMKMK-SNVBAGLBSA-N 308.338 -0.779 30 20 DBED C=CCn1cc(C(=O)N2CCNC[C@H]2c2nccn2C)nn1 648132217 SYBJUTNZHBUFNT-LBPRGKRZSA-N 301.354 -0.016 30 20 DBED CCN1CCO[C@@H](C(=O)OCC(=O)N(CCC#N)CCC#N)C1 748461434 VNTFPRRHWWBCHH-CYBMUJFWSA-N 322.365 -0.094 30 20 DBED C#C[C@H](N[C@H](C)C(=O)N[C@H]1CCS(=O)(=O)C1)[C@H]1CCCO1 775792732 ILFHUHSTKLCONO-MROQNXINSA-N 314.407 -0.551 30 20 DBED C=CCS(=O)(=O)CCNC(=O)[C@H]1CCCN1S(C)(=O)=O 783541212 CISSZTJJHNRRFB-SNVBAGLBSA-N 324.424 -0.873 30 20 DBED C#CCOCCNC(=O)NCCCn1nc2n(c1=O)CCCC2 784223521 HSUSEYSVGDEBQD-UHFFFAOYSA-N 321.381 -0.280 30 20 DBED C#CCOCCNC(=O)C(=O)Nc1ccc(F)c(C(N)=O)c1 785174890 YZUQEUUJLNITKD-UHFFFAOYSA-N 307.281 -0.371 30 20 DBED C#C[C@@H](NC(=O)C(=O)NCc1cc(C)ncn1)[C@@H]1CCCO1 806200654 JKCDSVCUERBWOX-OLZOCXBDSA-N 302.334 -0.302 30 20 DBED CN(C[C@H](O)CN1CCOCC1)C(=O)[C@](C)(C#N)CC(=O)O 820574290 NMJAKCJVEPSTAB-FZMZJTMJSA-N 313.354 -0.858 30 20 DBED C#CCNC(=O)C1CCN(CN2C[C@@H](C(=O)O)CC2=O)CC1 833365871 VKXPZXHQBYCVTE-LBPRGKRZSA-N 307.350 -0.662 30 20 DBED C=C[C@@H]1OCCC[C@H]1NC(=S)NCCNS(C)(=O)=O 840806201 FHKDWOKCAOAWJJ-ZJUUUORDSA-N 307.441 -0.267 30 20 DBED C=CCCONC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 856030124 PUSFQCOJTQKJMV-QWRGUYRKSA-N 316.379 -0.354 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)COc1ccccc1C(N)=O 857757687 OMNGQIIPHJHSNB-JTQLQIEISA-N 304.302 -0.155 30 20 DBED C#CC[C@H](CCOC)NC(=O)N1CCC[C@H](S(N)(=O)=O)C1 859019481 RLUAZFUMNSFOLJ-NEPJUHHUSA-N 317.411 -0.123 30 20 DBED Cc1cc(/C=C\C(=O)c2c(O)n(C)c(=O)n(C)c2=O)n(C)n1 876498213 RLADHPSQBWAZSM-WAYWQWQTSA-N 304.306 -0.272 30 20 DBED C=C(CN(C)C)C(=O)N1CCN(C(=O)N2CCN(C)CC2)CC1 900617363 USPQBTFAPVVJRC-UHFFFAOYSA-N 323.441 -0.384 30 20 DBED C#CC[C@@H]1NC(=O)N(CC2(N3CCOCC3)CCOCC2)C1=O 927623120 NCTKPFWKFGJIQM-ZDUSSCGKSA-N 321.377 -0.189 30 20 DBED CN(C)C(=O)CN1CCN(C(=O)CN2CCC[C@H](C#N)C2)CC1 932159302 XLHNJFXABAOXRX-CQSZACIVSA-N 321.425 -0.546 30 20 DBED Cc1nn(C)cc1C1=NO[C@@H](C(=O)N2CCOC[C@@H]2C#N)C1 933560310 SBEQBYZUCWBZNG-GXFFZTMASA-N 303.322 -0.028 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](NC(=O)c2ccc(C(N)=O)cn2)C1 941298241 VIKFBWCIRODZMZ-MWLCHTKSSA-N 315.333 -0.329 30 20 DBED CCN(C(=O)c1nnn(C)n1)[C@@H]1CCN(C(=O)C#CC2CC2)C1 942918863 QVPJODNYBUKOQA-GFCCVEGCSA-N 316.365 -0.314 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2nccnc2C(N)=O)[C@@H](C)C1 944812008 ROPLSBALWZEHFQ-WDEREUQCSA-N 301.350 -0.351 30 20 DBED CC#CCN1CCN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)CC1 951793338 OEPKDFFHRWCXMG-UHFFFAOYSA-N 314.349 -0.761 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H](NC(=O)CN2C(=O)CCC2=O)C1 951872246 IJZLHWAYKGHGIP-QWRGUYRKSA-N 320.349 -0.598 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@@H]2CCCO2)C1 953673795 UVWHYCXUKFQBFK-GJZGRUSLSA-N 319.405 -0.068 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)C(N)=O)C3)c[nH]1 957972433 FOMFVWRBDPHFHM-XRNSZHNASA-N 315.333 -0.519 30 20 DBED Cc1nc2cc(C(=O)NC[C@H]3CN(CC#N)C[C@@H]3O)cnc2[nH]1 958122365 UYCVUVPNKGPRFN-AAEUAGOBSA-N 314.349 -0.188 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2n[nH]c3c2CCCC3)C1 958207044 QMPGHHMFBMOATE-BXUZGUMPSA-N 302.378 -0.056 30 20 DBED Cc1nn(C)c(Cl)c1C(=O)NC[C@@H]1CN(CC#N)C[C@H]1O 958296229 DGLVMIVOHCYCFZ-NXEZZACHSA-N 311.773 -0.072 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2ccnc(NC(C)=O)c2)C1 958488806 HLAAFTOGQZWWPB-ZIAGYGMSSA-N 316.361 -0.304 30 20 DBED Cn1cnnc1CN1C[C@H]2[C@H](NC(=O)c3cc(C#N)c[nH]3)[C@H]2C1 958501137 WYYUYXPRGKWGLP-YABSGUDNSA-N 311.349 -0.125 30 20 DBED N#Cc1ccc(C(=O)NC2[C@@H]3CN(CCn4cncn4)C[C@@H]23)[nH]1 958590612 SCEKQRJZJIFBEO-VXGBXAGGSA-N 311.349 -0.162 30 20 DBED CC#CCN1C[C@H](CNC(=O)c2cncc(C(N)=O)c2)[C@@H](O)C1 958692546 BJTWHMDSXRCPJJ-KBPBESRZSA-N 316.361 -0.774 30 20 DBED C=CCCN1C[C@H]2[C@H](NC(=O)CN3C(=O)C(=O)N(C)C3=O)[C@H]2C1 961942092 XXORSVFANANKCU-IAZYJMLFSA-N 320.349 -0.971 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)C1=COCCO1 964062263 PZLJZMYCXSZYQP-QWRGUYRKSA-N 309.322 -0.622 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)c1cncnc1 964167737 UUOJLAURCKNRIS-JQWIXIFHSA-N 303.322 -0.407 30 20 DBED CCN(C(=O)C1CN(C(C)=O)C1)C1CN(C(=O)[C@H](C)C#N)C1 967907418 GEGGJMHHLNVPDL-SNVBAGLBSA-N 306.366 -0.316 30 20 DBED CCN(C(=O)C1CN(C(C)=O)C1)C1CN(C(=O)C#CC2CC2)C1 967908682 VDNQHABYSZWAFL-UHFFFAOYSA-N 317.389 -0.063 30 20 DBED C#CCCN1CC[C@@H](C)[C@@H](NC(=O)CN2CCC(=O)NC2=O)C1 968517567 PFSYDXFMDYGJOG-OLZOCXBDSA-N 320.393 -0.222 30 20 DBED C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)CN2C(=O)CNC2=O)C1 968628435 YKSFXAHCQWJVQZ-VXGBXAGGSA-N 308.382 -0.059 30 20 DBED CC(C)n1cnc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)c1 969017831 FZTPLMQAGARQHC-LOWVWBTDSA-N 319.365 -0.075 30 20 DBED C[C@@H]1OCCO[C@@H]1C(=O)N[C@H]1[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]21 976741933 ZVRPHQSRQFNYHW-GIRXQMHSSA-N 318.373 -0.223 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1[C@@H]2CN(C(=O)c3cnn[nH]3)C[C@@H]21 977227791 SJLYJXJJEILQNZ-CULRXLKQSA-N 317.349 -0.418 30 20 DBED C=CCN1C[C@H](NC(=O)CN2CCC(=O)NC2=O)C(C)(C)C1 977450177 PRVIWMKNRIWIRU-NSHDSACASA-N 308.382 -0.059 30 20 DBED C#CCN1C[C@@H]2C(CNC(=O)[C@@H]3CCc4nnc(O)n4C3)[C@H]2C1 978410151 OBZJAJLXCLQOQG-RAIGVLPGSA-N 315.377 -0.527 30 20 DBED CC#CCN1C[C@@H]2C(CNC(=O)[C@H]3CCS(=O)(=O)C3)[C@H]2C1 978429436 ZJROQZSVCSHRSH-IACUBPJLSA-N 310.419 -0.262 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](CNC(=O)c2cc(=O)n(C)o2)C1 983213986 GVYXBTROBCWWKC-VHSXEESVSA-N 306.322 -0.284 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H]2CCC[C@@H](NC(=O)C(N)=O)C2)c1 983565728 SQSRSIUGMWNHGY-VHSXEESVSA-N 303.322 -0.471 30 20 DBED CC[C@@H]1[C@@H](NC(=O)Cn2cnnn2)CCN1C(=O)[C@@H](C)C#N 984513285 AQFKNJOFYXZOND-GARJFASQSA-N 305.342 -0.672 30 20 DBED C=CCn1cccc1C(=O)N[C@H]1CCN(C(=O)C(N)=O)[C@@H]1C 988628024 DWSQHJGAIDMLIG-MNOVXSKESA-N 304.350 -0.121 30 20 DBED C#CCN[C@@H]1CCC[C@H]2CN(C(=O)CCn3cnnn3)C[C@@H]21 992882307 ZFSBQNGNCLVZLT-MELADBBJSA-N 302.382 -0.087 30 20 DBED C=CCN[C@H]1CCCN(C(=O)C2(n3cnnn3)CCOCC2)C1 1000432993 PWNJLIOYQKPKRL-ZDUSSCGKSA-N 320.397 -0.055 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](CNC(=O)c3cnnc(O)c3)[C@H]2C1 1009167435 FPJLXRSYBSYZEF-PDEGPIFNSA-N 315.333 -0.224 30 20 DBED C[C@@H]1C[C@H](NC(=O)Cc2nc[nH]n2)CN1C(=O)C#CC1CC1 1012587059 IHBPKHPXLKORDH-PWSUYJOCSA-N 301.350 -0.134 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCN(C(=O)[C@H]3COCCN3C)C2)C1 1019363087 MAPDOUHWNSLERD-QWHCGFSZSA-N 320.393 -0.462 30 20 DBED C#CCN1CC[C@H]2[C@H](CCCN2C(=O)C2CC(=O)NC(=O)C2)C1 1021687537 ALJIWJDWKOYWLH-OCCSQVGLSA-N 317.389 -0.015 30 20 DBED C#CCN1CC[C@@H]2[C@H](CCCN2C(=O)Cn2c(O)nnc2O)C1 1021722760 QDPWPHAFCZKVQB-VXGBXAGGSA-N 319.365 -0.365 30 20 DBED CCc1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2O)no1 1024922757 JBPWSNIXEKSDPG-XXILOJSOSA-N 306.322 -0.302 30 20 DBED C=C1CC(C)(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cnon3)C2)C1 1025240036 SRLLZFWREXUWBD-GHMZBOCLSA-N 306.322 -0.273 30 20 DBED N#Cc1c[nH]c(C(=O)N2C[C@H]3CC[C@H]2[C@@H](NC(=O)C(N)=O)C3)c1 1025994957 DFIPMGPWACIJIS-PEXQALLHSA-N 315.333 -0.519 30 20 DBED C#CCN[C@@H]1CC[C@H]2CN(C(=O)c3nccnc3C(N)=O)C[C@@H]21 1026415441 HKGTWFYXLBSXFO-SDDRHHMPSA-N 313.361 -0.351 30 20 DBED C#CCN1CCC(C(=O)NC[C@H]2CCN([C@H](C)C(N)=O)C2)CC1 1029002957 FFYVTEJUVPFYSI-ZIAGYGMSSA-N 320.437 -0.357 30 20 DBED CC#CCN1[C@H]2CC[C@H]1CN(C(=O)CN1CC(=O)N(C)C1=O)C2 1029551729 GYDWAJHSWLLNIP-STQMWFEESA-N 318.377 -0.421 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CN([C@H]2CCN(C)C2=O)C1 1031089208 ZEZYCNQXOBMNRP-IHRRRGAJSA-N 307.394 -0.001 30 20 DBED C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCS(=O)(=O)N1 1032789008 QAHKZDUMCPLVOB-RWMBFGLXSA-N 313.423 -0.071 30 20 DBED CC#CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1COCCN1C(C)=O 1032792137 QUNRYPBTSVFKNP-KKUMJFAQSA-N 305.378 -0.458 30 20 DBED CN(C(=O)C1(n2cnnn2)CCOCC1)[C@H]1CCN(CC#N)C1 1033489028 DHOSMGFJFDYEOK-LBPRGKRZSA-N 319.369 -0.765 30 20 DBED C=CCCN1CC[C@@H](N(C)C(=O)c2cn(CC(N)=O)nn2)C1 1033685095 KMXWPKHMOXOBFA-LLVKDONJSA-N 306.370 -0.514 30 20 DBED N#CCN1CCC2(CCN(C(=O)CCn3cnnn3)CC2)C1 1035241814 QUBLSPPERLNSOX-UHFFFAOYSA-N 303.370 -0.099 30 20 DBED C=CCCN1CCO[C@@H](CNC(=O)c2cn(CCOC)nn2)C1 1035360191 AVCYGFRHIROGRH-ZDUSSCGKSA-N 323.397 -0.069 30 20 DBED C=CCN[C@H]1CCN(C(=O)CN2CC(=O)N(C)C2=O)C[C@H]1C 1036256766 HTCWVZWOGOGNPC-NEPJUHHUSA-N 308.382 -0.107 30 20 DBED CC#CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1cnn2c(=O)cc[nH]c12 1037627854 PVNJXILNWQQQCK-SCDSUCTJSA-N 311.345 -0.152 30 20 DBED C#CCCCC(=O)NC[C@@]1(O)CCN(C(=O)[C@H]2COCCO2)C1 1039574198 OZWCAMQVYACOTB-CJNGLKHVSA-N 324.377 -0.715 30 20 DBED C=CCCC(=O)N1CC[C@](O)(CNC(=O)CCNC(N)=O)C1 1039697256 JQYNRHJJUIXSQG-AWEZNQCLSA-N 312.370 -0.909 30 20 DBED CC(C)N(C)CC(=O)NC[C@@]1(O)CCN(C(=O)[C@H](C)C#N)C1 1040098674 CUEQUUKSGMHJGS-DOMZBBRYSA-N 310.398 -0.434 30 20 DBED C=CCCC(=O)N1CC[C@@](O)(CNC(=O)C(C)(C)C(N)=O)C1 1040118861 KCKPJWDJKZZSCJ-OAHLLOKOSA-N 311.382 -0.456 30 20 DBED C=CCCOCC(=O)NC[C@]1(O)CCN(C(=O)c2cnon2)C1 1040160577 DVRWNOGGYBFNAD-CQSZACIVSA-N 324.337 -0.645 30 20 DBED C=CCCC(=O)N1CC[C@](O)(CNC(=O)c2[nH]nnc2C)C1 1040466928 KWTZAKANIUWZEK-AWEZNQCLSA-N 307.354 -0.227 30 20 DBED C=CCC1(C(=O)NC[C@@]2(O)CCN(C(=O)CC(N)=O)C2)CCC1 1040816107 XYTCEKMRODVANK-INIZCTEOSA-N 323.393 -0.312 30 20 DBED CC[C@@H]1C[C@H]1C(=O)N1CC(O)(CNC(=O)CSCC#N)C1 1041570055 LGHQJVVIMLVHRV-GHMZBOCLSA-N 311.407 -0.021 30 20 DBED C=C(C)CCC(=O)N1CC(O)(CNC(=O)[C@H]2COCCO2)C1 1041600608 DGTCWIHNLIWSFM-GFCCVEGCSA-N 312.366 -0.552 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)C2(CN(C)C)CC2)C1 1041960307 MEECOYPLSQXOTG-UHFFFAOYSA-N 309.410 -0.016 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)CCC2CC2)C1 1042186983 KHQWMWPSHPJNQN-UHFFFAOYSA-N 308.378 -0.094 30 20 DBED C#CCNC(=O)CC(=O)NCC1(O)CN(C(=O)CCC2CC2)C1 1042672094 HEVWLAVOPQXTBJ-UHFFFAOYSA-N 321.377 -0.994 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)[C@@H](C)n2cccn2)C1 1042802888 OPYHCJAOLLWMNH-CYBMUJFWSA-N 318.377 -0.063 30 20 DBED O=C(C#CC1CC1)NCC1(O)CN(C(=O)[C@@H]2CCCCO2)C1 1042958914 PCEOBTAIFAFYHK-ZDUSSCGKSA-N 306.362 -0.342 30 20 DBED CN1CC[C@@H](C(=O)NCC2(O)CN(C(=O)C#CC3CC3)C2)C1 1043116500 OKMPEGSRUUAKPT-CYBMUJFWSA-N 305.378 -0.959 30 20 DBED C=C[C@H](CC)CC(=O)N1CC(O)(CNC(=O)Cn2nccn2)C1 1043213628 CYDWGUWQAXJMJK-GFCCVEGCSA-N 321.381 -0.430 30 20 DBED C=CCCOCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCCO2)C1 1043565364 MGXJXVOAJQIUPC-LBPRGKRZSA-N 312.366 -0.552 30 20 DBED CCc1cc(C(=O)NCC2(O)CN(C(=O)[C@@H](C)C#N)C2)nn1C 1043727390 WKUKVIYVHJNMAW-JTQLQIEISA-N 319.365 -0.555 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)C[C@@H]2CCN(C)C2)C1 1044011175 LDFPNGIHTMCUGM-AWEZNQCLSA-N 321.421 -0.179 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)[C@@]34COC[C@@H]3C4)C2)cn1 1044697961 ZZNYGDRKWMQCJQ-TXKWRHDYSA-N 314.345 -0.345 30 20 DBED C=C(C)C[C@H](C)C(=O)NCC1(O)CN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 1045058305 BXYDHLHNULQCMV-TUAOUCFPSA-N 323.393 -0.600 30 20 DBED Cn1nccc1CC(=O)N1CCN([C@H]2CCN(CC#N)C2)CC1 1046022349 PLMZVQGGCQTHMA-HNNXBMFYSA-N 316.409 -0.295 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)[C@H]2C[C@]23CCOC3)C1 1046583847 IMNOYLHSFNIUKD-CJNGLKHVSA-N 320.389 -0.094 30 20 DBED COc1ccc(CC(=O)N(C)[C@H]2CN(CC#N)C[C@@H]2O)nc1 1047502834 QXARKUBTMJUBBH-KBPBESRZSA-N 304.350 -0.340 30 20 DBED C=CCOCC(=O)N(C)[C@H]1CN(C(=O)c2ncc[nH]2)C[C@@H]1O 1048555484 ZLBRMPYHHFPXBT-QWRGUYRKSA-N 308.338 -0.744 30 20 DBED CC(C)C#CC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C[C@@H]1O 1048806457 BRFRHLLILJDYLV-HCZIRCDUSA-N 320.389 -0.432 30 20 DBED C#CCOCCC(=O)N(C)[C@H]1CN(C(=O)c2cocn2)C[C@@H]1O 1048844002 CAYUPXUNRGLXMD-STQMWFEESA-N 321.333 -0.642 30 20 DBED CCOCC1(C(=O)N(C)[C@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)CC1 1049019761 RUCDBCXSBULZEV-AVGNSLFASA-N 323.393 -0.007 30 20 DBED C=CCn1cc(C(=O)N2C[C@@H]3CN(CCCO)C[C@@H]3C2)nn1 1049103454 LUAVSRIXPDAISY-BETUJISGSA-N 305.382 -0.150 30 20 DBED C[C@@H]1[C@@H](NC(=O)Cn2nccn2)CCN1c1ccnc(C#N)n1 1050668127 RVDOUCFGIGJUOI-MNOVXSKESA-N 312.337 -0.277 30 20 DBED C=C(C)CN1CCOC[C@H]1CNC(=O)c1cn(CCOC)nn1 1050907254 VQMUCJFWMDLZMI-CYBMUJFWSA-N 323.397 -0.069 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2COCCN2C[C@H](C)O)nn1 1051156687 WTHOYUAETOUESC-RYUDHWBXSA-N 309.370 -0.725 30 20 DBED C=CCN1CCOC[C@@H]1CNC(=O)[C@H]1CCN(C)S1(=O)=O 1051162810 XUAGTIXEMOOGGC-NWDGAFQWSA-N 317.411 -0.977 30 20 DBED N#Cc1nc(=NC2CC(CNC(=O)[C@H]3C[C@H]3C(N)=O)C2)cc[nH]1 1052089407 RGPSLCBXVBZQQG-LXKPXOPUSA-N 314.349 -0.802 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCCN([C@H](C)C(N)=O)CC2)nn1 1052774845 LKBNKZONGKNDMK-NEPJUHHUSA-N 320.397 -0.078 30 20 DBED C#CCN1CC2(CC[C@H](CNC(=O)[C@H]3CC[C@@H](C(N)=O)O3)O2)C1 1053660904 QPWCDZNLOAGIEU-FRRDWIJNSA-N 321.377 -0.998 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)[C@H]3CC(=O)N(C(C)C)C3)CO2)C1 1053818747 VPNSWCUQSDQRPV-UONOGXRCSA-N 319.405 -0.164 30 20 DBED C=C(C)C[C@H](C)C(=O)N[C@@]1(CO)CCCN(C(=O)C(N)=O)C1 1056065999 SEZFZOJKWIMXOU-NHYWBVRUSA-N 311.382 -0.456 30 20 DBED C=CCOCC(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)CC(=O)NC 1056363945 QCKDWBLJEKAVQM-QWHCGFSZSA-N 323.393 -0.083 30 20 DBED CN1CCOC[C@H]1C(=O)N1CC[C@@H](N=c2cc[nH]c(C#N)n2)C1 1056609288 VCCCNEQQKBSAAX-NEPJUHHUSA-N 316.365 -0.886 30 20 DBED CN1CCOC[C@H]1C(=O)N1CC[C@@H](Nc2nccnc2C#N)C1 1056609366 XQRXTNNEBPPTRH-YPMHNXCESA-N 316.365 -0.308 30 20 DBED CN(c1cncc(C#N)n1)[C@@H]1CCN(C(=O)C(C)(C)C(N)=O)C1 1056977093 GBVZNVNOLQTYBM-LLVKDONJSA-N 316.365 -0.103 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)c1cnc(O)n1C 1057174273 XPRUTKAWMBCTNV-UHFFFAOYSA-N 310.354 -0.357 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)c1[nH]c(O)nc1C 1057445516 XXGAUJBNHJMNOB-UHFFFAOYSA-N 322.365 -0.222 30 20 DBED C=C[C@@H](CC)CC(=O)NCCN(CCO)C(=O)c1ncn(C)n1 1057498614 GPZLWORGIXPOAG-LBPRGKRZSA-N 323.397 -0.032 30 20 DBED C#CCOCCC(=O)N(CCO)CCNC(=O)C1CC=CC1 1057581946 ZDYRUWYXMIMWMF-UHFFFAOYSA-N 308.378 -0.070 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1CCCN(C(=O)Cn2cnnn2)C1 1057585533 GFIXPKDPUURKDX-LBPRGKRZSA-N 312.337 -0.535 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)[C@@H]1CC(=O)N(C)C1 1057850624 ZPQADIHUNVSLQU-GFCCVEGCSA-N 311.382 -0.632 30 20 DBED N#Cc1nccnc1N1CC[C@H](NC(=O)c2ccc(O)nn2)C1 1058276727 OWMYMVXCOSFTNK-VIFPVBQESA-N 311.305 -0.147 30 20 DBED N#Cc1cncc(N2CC[C@@H](NC(=O)[C@@H]3CCC(=O)N3)C2)n1 1058408255 BZXTZGHUMRALHE-KOLCDFICSA-N 300.322 -0.678 30 20 DBED Cn1cc(C(=O)N2CC[C@H](N=c3cc[nH]c(C#N)n3)C2)ccc1=O 1059116478 UBGDGZCOZAGWEY-LBPRGKRZSA-N 324.344 -0.205 30 20 DBED N#Cc1ccc(N[C@H]2C[C@H](NC(=O)[C@@H]3CCC(=O)N3)C2)nn1 1059268132 ZISVYDPWFUPVJL-DCAQKATOSA-N 300.322 -0.314 30 20 DBED N#Cc1cncc(NC[C@H]2CCN(C(=O)Cc3nc[nH]n3)C2)n1 1060918170 HZLUYYZPTMLOQY-SNVBAGLBSA-N 312.337 -0.031 30 20 DBED C#CCOCCC(=O)NC[C@@H]1COCCN1C(=O)[C@H](C)C#N 1061582133 ZJQPISGWGLJERW-CHWSQXEVSA-N 307.350 -0.470 30 20 DBED Cc1cncn1CC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H](C)C#N 1061852542 JNISNTTULMMWOI-AAEUAGOBSA-N 319.365 -0.305 30 20 DBED Cc1cc(C#N)nc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)Cc2nc[nH]n2)n1 1064294382 PDGUGCYIRFTPGO-OLUVUFQESA-N 324.348 -0.289 30 20 DBED C=C1CC(C)(C(=O)N2CCO[C@@H](CNC(=O)CNC(N)=O)C2)C1 1065593305 QIQZLKZKWLQXPZ-NSHDSACASA-N 324.381 -0.645 30 20 DBED CNC(=O)NCC(=O)N(C)CCCN(C)C(=O)C#CC(C)C 1067362738 AVHCSWYMTWYZCN-UHFFFAOYSA-N 310.398 -0.118 30 20 DBED N#Cc1ccc(NC[C@H]2C[C@H](NC(=O)Cn3cnnn3)C2)cn1 1068449423 JWEKAGXICLOOLA-MJHDQNEOSA-N 312.337 -0.053 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@@]2(CCCN(C(=O)C(N)=O)C2)C1 1069776969 VZJDYTRXBVNTAW-BLLLJJGKSA-N 321.377 -0.649 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@@H](NC(=O)CSC)C1 1070636494 ZPSBEEZFAMOBAS-LLVKDONJSA-N 311.407 -0.404 30 20 DBED C[C@H]1OCC[C@]1(C)C(=O)N1CCC(=O)NCCN(CC#N)CC1 1070983709 BLBUKLNWXMTIKX-CJNGLKHVSA-N 322.409 -0.024 30 20 DBED C=CCOCCCC(=O)N1C[C@H](C)[C@H](NC(=O)CC(N)=O)C1 1071871652 NGMWNZBDFTUFJD-NWDGAFQWSA-N 311.382 -0.192 30 20 DBED CC#CCN1CCCO[C@H](CNC(=O)c2nccnc2N)C1 1073561903 FOMXFOAGXLJBMB-GFCCVEGCSA-N 303.366 -0.097 30 20 DBED CC#CCN1CCO[C@@H]2CCN(C(=O)C3(C(N)=O)CC3)C[C@@H]21 1074327374 SWEWKGWWUFOORG-QWHCGFSZSA-N 305.378 -0.423 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CCN(C(=O)COCC)[C@H](C)C1 1074942531 YFESBFPOWQQTDG-OLZOCXBDSA-N 323.393 -0.342 30 20 DBED C#CCO[C@H](C)C(=O)NCC[C@H](C)NC(=O)c1ncn(C)n1 1076507344 DBZROQCSBIFARE-WDEREUQCSA-N 307.354 -0.522 30 20 DBED C=CCn1cccc1C(=O)N[C@@H]1CN([C@@H](C)C(=O)NC)C[C@H]1O 1077139045 VCXOBSUWCUWCLE-OUCADQQQSA-N 320.393 -0.417 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2[nH]nnc2-c2ccccc2)C1 1078238809 RXQSPVMPELRIRK-CHWSQXEVSA-N 311.345 -0.120 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2ccc3nc(O)n(C)c3c2)C1 1078292758 WVTBDZDRIXWEFO-TZMCWYRMSA-N 314.345 -0.313 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H](C)CCNC(=O)Cc1nc[nH]n1 1078598194 YPOBKMCGERNHOY-QWRGUYRKSA-N 309.370 -0.051 30 20 DBED N#CCN[C@H]1C[C@H](NC(=O)CN2CC(=O)NC2=O)C12CCC2 1078750837 YOEBJSXTRSQRAA-UWVGGRQHSA-N 305.338 -0.921 30 20 DBED C=CCOCC(=O)N(CC)C1CN(C(=O)CC(=O)N(C)C)C1 1079492647 GXJWNJKTHPJYJM-UHFFFAOYSA-N 311.382 -0.273 30 20 DBED C#CCNC(=O)CC(=O)N(CC)C1CN(C(=O)[C@H]2CCCO2)C1 1079644338 DMSNUBPFLIADKP-CYBMUJFWSA-N 321.377 -0.636 30 20 DBED C=CCCC(=O)NC1(CO)CCN(C(=O)Cn2cncn2)CC1 1080768506 YOIPWSLRSQCMHQ-UHFFFAOYSA-N 321.381 -0.286 30 20 DBED CC(F)(F)C(=O)NC[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1081182779 DJIHPWVXRODKTB-WDEREUQCSA-N 300.305 -0.010 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)Cn2ccnc2)C[C@@H]1O 1081333702 WWCHDWGPGARJOX-OLZOCXBDSA-N 306.366 -0.215 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2cncn2C)C[C@H]1O 1081347604 XXXYVAAVQMGTOZ-WCQYABFASA-N 322.365 -0.828 30 20 DBED C#CCCCCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)CC(N)=O)C1 1081361039 XWWHFJHEUYVDDV-CHWSQXEVSA-N 323.393 -0.619 30 20 DBED C=C1CC(C)(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)CC(N)=O)C2)C1 1081371320 NBROOEQLPGVXPP-WDEREUQCSA-N 309.366 -0.846 30 20 DBED C[C@H]1CCCN(C(=O)C(=O)N2CCO[C@@H]3CN(CC#N)C[C@@H]32)C1 1083216049 FUGGZMIHQCEIKI-MELADBBJSA-N 320.393 -0.320 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCc3nn[nH]c3C2)C1 1083949814 OMUGFIXUXXSWPZ-GDLCADMTSA-N 303.366 -0.906 30 20 DBED CC(=O)N1CCO[C@H](C(=O)N2C[C@H]3CCN(CC#N)C[C@H]32)C1 1084806559 USMGFZXRXAOOLM-MCIONIFRSA-N 306.366 -0.710 30 20 DBED C[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCN1Cc1nnn(C)n1 1088533497 UMUUOCBAQLEQCO-SKDRFNHKSA-N 314.353 -0.197 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(c2ncc(Cl)cn2)C[C@H]1O 1090392064 NVSTXNCTDFAAAU-GHMZBOCLSA-N 312.757 -0.002 30 20 DBED COC[C@H](OC)C(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@H]1O 1090527624 APEXDTFNZUYWEQ-BNOWGMLFSA-N 320.349 -0.720 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2cnc(O)cc2OC)[C@H](O)C1 1090578826 YYGMXRHAJVVLMY-QWHCGFSZSA-N 319.361 -0.016 30 20 DBED CC(=O)NCC(=O)N[C@H]1CCN(c2cncc(C#N)n2)[C@@H]1C 1091926815 VZNCWYCEIBKRAF-SKDRFNHKSA-N 302.338 -0.432 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)c3cnnn3C)c3nccn32)C1 1092364990 AGMNALBYUFXVPX-LLVKDONJSA-N 311.349 -0.470 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCNc1cc(C)nc(CO)n1 1094214325 CTIXFSQHLAGTDN-ZDUSSCGKSA-N 317.393 -0.097 30 20 DBED C[C@@]1(C(=O)NCCNc2cncc(C#N)n2)CCNC(=O)C1 1094233820 VAFUCZIPWLHJEU-CQSZACIVSA-N 302.338 -0.207 30 20 DBED COc1cc(C(=O)NCCNc2cncc(C#N)n2)nn1C 1094263027 ZULNNHBMAIQNJR-UHFFFAOYSA-N 301.310 -0.068 30 20 DBED C=CCN1CC(n2cc(CNC(=O)c3cnn(C)n3)nn2)C1 1094326927 UPVYKYQPUXQBDA-UHFFFAOYSA-N 302.342 -0.621 30 20 DBED N#Cc1nc(=NCCCNC(=O)c2cccn3nnnc23)cc[nH]1 1094613713 NTBSEFDBZRRBDC-UHFFFAOYSA-N 323.320 -0.560 30 20 DBED CN1C[C@H](C(=O)NCCCNc2ncccc2C#N)NC1=O 1094709706 XDFSEAUUKFXLIL-LLVKDONJSA-N 302.338 -0.105 30 20 DBED C=C(C)CN1CC(N2C[C@@H](NC(=O)Cc3ncc[nH]3)CC2=O)C1 1094803051 FMFLPYBUNWEPCF-LBPRGKRZSA-N 317.393 -0.070 30 20 DBED N#Cc1c[nH]c(C(=O)N2C[C@H]3C[C@H](NCC(N)=O)C[C@H]2C3)c1 1094889793 RKGNJLUETBPDLL-ZMLRMANQSA-N 301.350 -0.046 30 20 DBED Cc1cc(N(C)CCCNC(=O)Cn2ncnn2)c(C#N)cn1 1095645520 WYBFBDMJGNRELD-UHFFFAOYSA-N 314.353 -0.109 30 20 DBED N#Cc1nccnc1N1CCN(CCNC(=O)C#CC2CC2)CC1 1096282234 DUSIWFGNFPSKGG-UHFFFAOYSA-N 324.388 0.000 30 20 DBED CC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN1C(=O)CCC1=O 1096511564 GGIBBCHVKQODDJ-AGIUHOORSA-N 303.362 -0.120 30 20 DBED CC(=O)N(C)CCCC(=O)NC[C@@H](C)N=c1cc[nH]c(C#N)n1 1097993738 FHWGNKAXLHEZFL-LLVKDONJSA-N 318.381 -0.055 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC[C@@H](n2cc(CNCC#N)nn2)C1 1098669410 QAAKPFSUYBISDI-UKRRQHHQSA-N 318.381 -0.008 30 20 DBED C[C@@H](CCNC(=O)Cn1cnnc1O)Nc1nccnc1C#N 1098990555 XCPPUVXVADSSMU-VIFPVBQESA-N 316.325 -0.348 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)c2cc[n+]([O-])cc2)[C@@H](O)C1 1099639742 OLLVFTPAJIELEL-CABCVRRESA-N 321.377 -0.312 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)c2nccnc2N)[C@H](O)C1 1099748873 DABNCMREOUSBIX-NWDGAFQWSA-N 321.381 -0.574 30 20 DBED Cn1nnc(CN2CC[C@@H](NC(=O)C#CC(C)(C)C)[C@H](O)C2)n1 1099829017 BVFNDKIDIVTJIW-VXGBXAGGSA-N 320.397 -0.689 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)CCC(=C)C)[C@H](O)C1 1099855223 DXKKXBKZRPGLDX-ZIAGYGMSSA-N 307.394 -0.357 30 20 DBED CCn1nncc1C(=O)NCCN(C)c1cncc(C#N)n1 1100052228 GPLKQRFUZPXUPZ-UHFFFAOYSA-N 300.326 -0.174 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)Cn2ccnc2)[C@H](O)C1 1100137078 VVXZQHDNACDNJN-ZIAGYGMSSA-N 306.366 -0.916 30 20 DBED CN(CCNC(=O)CCN1CCCC1=O)c1nccnc1C#N 1100140384 MTPHJAVYONIJOQ-UHFFFAOYSA-N 316.365 -0.087 30 20 DBED CNC(=O)NCC(=O)NCCN(C)c1ncc(C#N)cc1F 1100377413 YTTKEUNBRPBRJA-UHFFFAOYSA-N 308.317 -0.426 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)c2c[nH]nc2CC)C1 1100472064 BGKAMNRIDHQYOX-UHFFFAOYSA-N 317.393 -0.181 30 20 DBED COCC#CCNC1CC(CNC(=O)[C@@]2(C)CCNC2=O)C1 1100672970 OJJMRMLGBNWEEI-ZUEPYMLJSA-N 307.394 -0.353 30 20 DBED CCCN(CCNC(=O)Cn1nccn1)c1cnc(C#N)cn1 1101189962 XZNBNMIFUNSMFR-UHFFFAOYSA-N 314.353 -0.027 30 20 DBED CN(CCNc1ccc(C#N)nn1)C(=O)C(=O)NCC1CC1 1101738932 MLDLRJIMTGAMCO-UHFFFAOYSA-N 302.338 -0.255 30 20 DBED C[C@@H]1CN([C@@H](C)C(=O)NC(N)=O)C[C@H]1CNC(=O)C#CC1CC1 1101954102 REOCVCMQRTVBEG-NTZNESFSSA-N 320.393 -0.333 30 20 DBED N#Cc1cnccc1N1[C@H]2CC[C@H]1CN(C(=O)CNC(N)=O)C2 1102184116 UIMJOYXQSVKBIV-RYUDHWBXSA-N 314.349 -0.199 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](C)CNC(=O)CNC(N)=O)n1 1103869854 KFJSKKWQGSCQQC-QMMMGPOBSA-N 305.342 -0.511 30 20 DBED C[C@H](CNC(=O)[C@@H]1CN(C)CCO1)CNc1ccc(C#N)nn1 1103890474 YFMZOMRNRBAMTC-AAEUAGOBSA-N 318.381 -0.157 30 20 DBED CC(=O)NCC(=O)NC[C@H]1CN(c2ccncc2C#N)CCO1 1104283033 DSESMIMTTJARFD-ZDUSSCGKSA-N 317.349 -0.589 30 20 DBED CCn1ncc(C(=O)N2CC(n3cc(CNCC#N)nn3)C2)n1 1105230633 PRBOBHQXXMISJA-UHFFFAOYSA-N 315.341 -0.800 30 20 DBED C=CCC[C@H](C)NCc1cn(C2CN(C(=O)C(N)=O)C2)nn1 1105315259 DHNSFYQZAOTAJI-JTQLQIEISA-N 306.370 -0.409 30 20 DBED Cc1cc(C#N)nc(NC[C@H](O)CNC(=O)c2cc(C)[nH]n2)n1 1105727461 NRMVJGUURBJPCO-LLVKDONJSA-N 315.337 -0.109 30 20 DBED Cc1nc(NC[C@@H](O)CNC(=O)[C@@H]2COCCO2)ccc1C#N 1105780775 VINZGILZHAUNDU-OLZOCXBDSA-N 320.349 -0.434 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)c2cnnc(O)c2)cn1 1105994152 YAMDRLXQUCKPNY-LBPRGKRZSA-N 314.305 -0.348 30 20 DBED N#Cc1cnc(NC[C@@H](O)CNC(=O)[C@@H]2[C@H]3COC[C@H]32)c(F)c1 1106062646 KRXUUYDUXSWJFJ-DCQANWLSSA-N 320.324 -0.126 30 20 DBED N#Cc1cccnc1NC[C@@H](O)CNC(=O)[C@]1(F)CCOC1 1106073102 QGSMQNDMBSNRHM-RISCZKNCSA-N 308.313 -0.029 30 20 DBED N#Cc1nc(NC[C@@H](O)CNC(=O)C(N)=O)sc1Cl 1106076640 CPPAGWMYLLPOLI-BYPYZUCNSA-N 303.731 -0.958 30 20 DBED C#CCN1CC(n2cc(CNC(=O)[C@@H](COC)OC)nn2)C1 1107208304 YCULXHFAJSCTRG-CYBMUJFWSA-N 307.354 -0.954 30 20 DBED CNC(=O)[C@H](C)N1CCO[C@@](C)(CNC(=O)C#CC2CC2)C1 1107932314 JXCYMLSFMYWMJZ-LRDDRELGSA-N 307.394 -0.259 30 20 DBED Cc1cc(=NC[C@@H](C)NC(=O)C2CS(=O)(=O)C2)c(C#N)c[nH]1 1107951827 KICQRDQHEQATRY-SNVBAGLBSA-N 322.390 -0.355 30 20 DBED C[C@]1(CNC(=O)CN2CCCNC2=O)CN(CC#N)CCO1 1108049267 KAYPNCYNNNFSHT-AWEZNQCLSA-N 309.370 -0.868 30 20 DBED CC#CCN1CCO[C@](C)(CNC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 1108216726 JWTHMHPDVFENIE-JJRVBVJISA-N 321.421 -0.059 30 20 DBED C#CCCCC(=O)N[C@@H]1CC(=O)N(C2CN(C[C@@H](C)O)C2)C1 1108538670 LJEWDPDHFIJGSI-CHWSQXEVSA-N 307.394 -0.428 30 20 DBED C[C@@H](CNc1ccc(C#N)nn1)NC(=O)C[C@H]1CCNC1=O 1108574178 YMHGHEPXIAFHLD-VHSXEESVSA-N 302.338 -0.209 30 20 DBED C[C@@H](CN(C)c1ccc(C#N)nn1)NC(=O)c1nccnc1N 1108886036 RKPJNBCXXRDEPQ-VIFPVBQESA-N 312.337 -0.025 30 20 DBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CC(=O)N(C)C 1109810759 BDMOIGWDWQKNJT-AGIUHOORSA-N 322.409 -0.512 30 20 DBED Cc1nn[nH]c1C(=O)N[C@@H](CN=c1cc[nH]c(C#N)n1)C1CC1 1109946767 ZJKNKHKFRNEBLL-JTQLQIEISA-N 312.337 -0.183 30 20 DBED Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCC#N)n[nH]1 1110334496 NDRRJJDJGBAPCB-WZRBSPASSA-N 316.365 -0.307 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)c2cnnn2CC)CC1 1112820952 CEVJLTATXBAOHZ-LBPRGKRZSA-N 318.381 -0.806 30 20 DBED CCO[C@@H](C(=O)N1CCN(CC(=O)NCC#N)CC1)C1CC1 1112859773 AGVZIOBMMZEZLD-CQSZACIVSA-N 308.382 -0.415 30 20 DBED C[C@H](NC(N)=O)C(=O)NC[C@@H](C)N(C)c1ccncc1C#N 1113578080 QZMFYXCDODAVLG-ZJUUUORDSA-N 304.354 -0.049 30 20 DBED C=CCO[C@H](C)C(=O)N1CCN([C@@H](C)C(=O)NC(N)=O)CC1 1113714508 GACHKXMTZJGNJU-WDEREUQCSA-N 312.370 -0.695 30 20 DBED COCC#CCN1CCN(C(=O)c2ccc(C(N)=O)nc2)CC1 1113726009 RRYRFVCZNLSKIC-UHFFFAOYSA-N 316.361 -0.412 30 20 DBED C[C@@H](CNC(=O)C(C)(C)C(N)=O)N(C)c1cncc(C#N)n1 1113741365 QMGZFBZQSHNMMU-VIFPVBQESA-N 304.354 -0.199 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)c3cc(C)n(C)n3)[C@H]2C1 1113948205 NZTQHYXQTFZKSQ-RYUDHWBXSA-N 317.393 -0.309 30 20 DBED Cc1cnccc1C(=O)NC1[C@H]2CN(CC(=O)NCC#N)C[C@H]12 1114240608 YSEVESUQVBJURU-STQMWFEESA-N 313.361 -0.310 30 20 DBED CC#CCN1C[C@@H]2C(NC(=O)CCCN3C(=O)CCC3=O)[C@H]2C1 1114371145 BZSIPOBNUZABDF-STQMWFEESA-N 317.389 -0.015 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)C3(COC)CCC3)[C@H]2C1 1114584463 JLUPEOSIXGGDTP-STQMWFEESA-N 319.405 -0.401 30 20 DBED CCc1nc(C#N)cc(N2C[C@H]3C(CNC(=O)C(N)=O)[C@@H]3C2)n1 1114619845 DYZUMDWDGZWFHD-QWRGUYRKSA-N 314.349 -0.806 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)CCc3cn[nH]c3)[C@H]2C1 1114954775 WOIYHNUYXYRXPL-STQMWFEESA-N 315.377 -0.862 30 20 DBED C#Cc1ccc(C(=O)NC2[C@H]3CN(C[C@H](O)COC)C[C@H]23)nc1 1115139919 NLLUTZUDGMNPST-IHRRRGAJSA-N 315.373 -0.270 30 20 DBED CCC[C@@H](NC(N)=O)C(=O)NC1[C@H]2CN(CC#CCOC)C[C@H]12 1115176386 OFSIZGQCXPUHDL-RWMBFGLXSA-N 322.409 -0.480 30 20 DBED CO[C@H](C)C(=O)NCCOCCN(C)c1cnc(C#N)cn1 1115183179 BGMRTXGNHVARIP-LLVKDONJSA-N 307.354 -0.048 30 20 DBED C=CCCOCC(=O)N[C@H]1[C@@H]2CN(Cc3nc(O)n[nH]3)C[C@@H]21 1115329957 DKSJSWWPVHDOLG-IWIIMEHWSA-N 307.354 -0.351 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)[C@@H](CC(C)C)C(N)=O)[C@@H]2C1 1115360565 JPLNQYRYXOFKFV-BFHYXJOUSA-N 321.421 -0.170 30 20 DBED O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CC(O)(C2CC2)C1 1116778239 ZCPQKFOXBNOXFV-YPKPFQOOSA-N 305.334 -0.114 30 20 DBED C#CCCCCNC(=O)C(=O)NC[C@@H]1CCCCS1(=O)=O 1117375866 UARVIMKBPPRVSQ-LBPRGKRZSA-N 314.407 -0.010 30 20 DBED C=C[C@@H]1CCCCN1C(=O)C(=O)N[C@H]1CCC(=O)N(C)C1=O 1118181742 GYTRWYPLLJTTJL-MNOVXSKESA-N 307.350 -0.183 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)CCn2cncn2)nc1 1121068217 WGHKDFDQMALCPD-GFCCVEGCSA-N 315.337 -0.476 30 20 DBED C=CCCC(=O)NC[C@@H](CO)Nc1ncnc2c1nnn2C 1121196722 ANZAOVAVKCAWNV-VIFPVBQESA-N 305.342 -0.387 30 20 DBED C=CCCC(=O)NC[C@@H](CO)N=c1cc[nH]c(C(=O)OC)n1 1121197881 MPVWEXREYSVQIS-JTQLQIEISA-N 308.338 -0.460 30 20 DBED CCNC(=O)CCC(=O)NC[C@@H](CO)Nc1ncccc1C#N 1121206043 TZSBKWSLZWLZPI-LBPRGKRZSA-N 319.365 -0.241 30 20 DBED CN1CCC[C@H]1C(=O)NC[C@H](CO)Nc1ncccc1C#N 1121242868 RYKBXTWJDXGOGO-OLZOCXBDSA-N 303.366 -0.064 30 20 DBED CO[C@@H](C(=O)NC[C@@H](CO)Nc1nc(C)cc(C#N)n1)C1CC1 1121504809 HMHGBPZNAGDFEQ-QWHCGFSZSA-N 319.365 -0.029 30 20 DBED Cc1cc(=N[C@@H](CO)CNC(=O)[C@@H]2CCN(C)C2)c(C#N)c[nH]1 1121589609 GSTDMCXNVSUJJO-TZMCWYRMSA-N 317.393 -0.476 30 20 DBED CCn1ccc(C(=O)NC[C@@H](CO)N=c2cc[nH]cc2C#N)n1 1122052747 OZDQDUARUKLYOB-LBPRGKRZSA-N 314.349 -0.206 30 20 DBED C=C(C)CCC(=O)NC[C@@H](CO)Nc1nccn2nnnc12 1122158695 YCSSLDQKHCUQRJ-JTQLQIEISA-N 305.342 -0.235 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)[C@H]1CCCO1 1123159831 YRYKGRHTYVQTTI-WDEREUQCSA-N 312.370 -0.729 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)COC(C)(C)C 1124310416 RFTJKZBPHKEPHS-NSHDSACASA-N 321.381 -0.184 30 20 DBED Cc1nn[nH]c1C(=O)N(C)C[C@H](O)CNc1cncc(C#N)n1 1124633189 FHZOJEPGTUBESE-SNVBAGLBSA-N 316.325 -0.680 30 20 DBED CN(C[C@H](O)CN(C)c1cnc(C#N)cn1)C(=O)c1ccon1 1124982132 OEFIIRMXVAOIFM-LLVKDONJSA-N 316.321 -0.094 30 20 DBED CN(C[C@@H](O)CN(C)c1ccncc1C#N)C(=O)c1cnn[nH]1 1125373938 LQXCNJDUNCMYNN-NSHDSACASA-N 315.337 -0.359 30 20 DBED C#CCNC(=O)CC(=O)NCCNCc1nnc(CC)s1 1125981870 MRENDVMGBGUIFF-UHFFFAOYSA-N 309.395 -0.554 30 20 DBED CN(CCOCCNc1ccc(C#N)nc1)C(=O)CC(N)=O 1127247424 BGROMUNFJBHDEY-UHFFFAOYSA-N 305.338 -0.284 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@H]1CCc2ncncc2C1 1129207373 GKOXUXPSPARZFE-LBPRGKRZSA-N 317.393 -0.411 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)C[C@@H]2CCNC2=O)C1=O 1129297786 OPOPLKQFOMBQMK-RYUDHWBXSA-N 308.382 -0.995 30 20 DBED C#CCCN[C@@H]1CN(C(=O)c2cnco2)C[C@@H]1n1ccnn1 1129949138 QNMTZQURPOQTPE-NEPJUHHUSA-N 300.322 -0.055 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1cc2n(n1)CCCC2 1130048495 YQHDUXRXSKNLDW-LBPRGKRZSA-N 317.393 -0.323 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@H](COC)OC)C[C@H]1c1cn(C)cn1 1130669698 JMJZTKPKFIBCMY-CFVMTHIKSA-N 320.393 -0.401 30 20 DBED COCCC(=O)NCc1nc([C@H]2COCCN2CC#N)n[nH]1 1130826354 XBGCDPVIIUXKDJ-SNVBAGLBSA-N 308.342 -0.646 30 20 DBED COCCCC(=O)NCc1nc([C@@H]2COCCN2CC#N)n[nH]1 1130829143 UQICMQHVYXMYRZ-NSHDSACASA-N 322.369 -0.256 30 20 DBED C[C@H](OCC1CC1)C(=O)N1CCC(=O)NCCN(CC#N)CC1 1131344721 FQUZAYWEXZXBSF-ZDUSSCGKSA-N 322.409 -0.024 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1=O 1131520091 UAENHHZWSJGLHN-QZOBBIQNSA-N 319.405 -0.098 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1c(C)c(C)nn(C)c1=O 1132174197 CKKVKIYKGVXHKI-UHFFFAOYSA-N 321.381 -0.981 30 20 DBED Cc1nnsc1C(=O)N[C@@H](C)C[C@H](C)NCC(=O)NCC#N 1133696779 ISBFJEMBZSFWJS-IUCAKERBSA-N 324.410 -0.027 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)c1cnn(CC)n1 1134266013 RXEQPTGRAAGGTJ-VXGBXAGGSA-N 320.397 -0.466 30 20 DBED C[C@H](C[C@@H](C)NC(=O)c1ncccn1)NCC(=O)NCC#N 1135723750 DAALMZWKUAZPHV-GHMZBOCLSA-N 304.354 -0.397 30 20 DBED Cc1cc(C(=O)N2CC3(CCN(CC(=O)NCC#N)C3)C2)on1 1146973650 HTHANIFOPFOKTR-UHFFFAOYSA-N 317.349 -0.229 30 20 DBED CC[C@@H](C)C(=O)NC[C@H]1CN(CC(=O)NCC#N)CCCO1 1149169121 ZGABKYNEWRVQNT-OLZOCXBDSA-N 310.398 -0.121 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@H]1CN(CCCO)CCCO1 1149623521 KQMSBBWZNJJFSQ-UKRRQHHQSA-N 300.399 -0.097 30 20 DBED C=CCN1CCCO[C@H](CNC(=O)COCc2ncnn2C)C1 1150542344 YVSSFAYOUPSCNK-CYBMUJFWSA-N 323.397 -0.275 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)[C@H]2CCNC(=O)C2)C1=O 1156516371 DPEFOFNXCFZPST-QWHCGFSZSA-N 322.409 -0.605 30 20 DBED COCC(=O)N(C)CC(=O)N1CCCC[C@@H]1CN(C)CC#N 1158043642 HCBCZEMZOJSLLB-CYBMUJFWSA-N 310.398 -0.072 30 20 DBED C#CCN(C)C[C@H]1CCCCN1C(=O)[C@H](C)NS(C)(=O)=O 1158522191 PLRCSRAHIRZKAD-QWHCGFSZSA-N 315.439 -0.130 30 20 DBED N#CCNC(=O)CNCCCNC(=O)c1ccc2nc[nH]c2n1 1160745483 JRXIIFMJLOCUSF-UHFFFAOYSA-N 315.337 -0.693 30 20 DBED C[C@H](CCCCNCC#N)NC(=O)CN1C(=O)CN(C)C1=O 1176485829 IOOPWDPXUXPNDO-LLVKDONJSA-N 309.370 -0.331 30 20 DBED CCOCCO[C@@H](C)C(=O)NCCCNCC(=O)NCC#N 1176870896 NBGZWBDUANJIKO-LBPRGKRZSA-N 314.386 -0.836 30 20 DBED CC#CCN1CCO[C@H]2CCN(C(=O)CCNC(N)=O)C[C@@H]21 1177142955 ABZPDNWEFUKNEG-STQMWFEESA-N 308.382 -0.630 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)[C@@H](C)c1cnn(C)c1 1177678073 FGWXAQPCDYKQFH-STQMWFEESA-N 319.409 -0.243 30 20 DBED C[C@H]1[C@@H](NCC(=O)NC(N)=O)CCN1C(=O)C#CC(C)(C)C 1178671569 HIEAKVBUXVTCCU-QWRGUYRKSA-N 308.382 -0.190 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](NCCc2cnn(C)c2)C1 1182145168 JJHDUFIHSLYDKS-CQSZACIVSA-N 317.393 -0.707 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)Cc2cc(C)nn2C)C1 1184221148 VUHZXAWAVDWELO-CYBMUJFWSA-N 317.393 -0.789 30 20 DBED N#CCN[C@H]1CCO[C@H](C2CCN(C(=O)CNC(N)=O)CC2)C1 1186053611 XHHYUKNZKBAWSF-STQMWFEESA-N 323.397 -0.446 30 20 DBED CC(C)(C)C#CC(=O)N1CC[C@H]2CN(CC(=O)NC(N)=O)C[C@H]21 1187833483 POXCXZDZCQGGKO-NWDGAFQWSA-N 320.393 -0.237 30 20 DBED C=CCNC(=O)CN1C[C@@H]2CCN(C(=O)[C@@]34COC[C@@H]3C4)[C@@H]2C1 1187971099 AHVCOZOZDWSAJQ-ZJOBFFGXSA-N 319.405 -0.142 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@@H](N(C)CCn2cncn2)C1 1190107109 ZYCWAYDDUXFMHF-ZIAGYGMSSA-N 305.382 -0.151 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2c(C)noc2C)C1 1190923104 QJVNOWPHDGVWEE-VXGBXAGGSA-N 322.365 -0.631 30 20 DBED CC(C)n1cc(CN2C[C@@H](O)[C@H](NC(=O)[C@@H](C)C#N)C2)nn1 1191854599 OTWAIFXGWOCFBL-CYZMBNFOSA-N 306.370 -0.320 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(CCOCC(C)C)C[C@H]1O 1192890996 FTPQTMANYRLZJB-RRFJBIMHSA-N 312.410 -0.141 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2ccc(F)cn2)C[C@H]1O 1192892486 YNDLHUKTITXBKM-KCPJHIHWSA-N 321.352 -0.080 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@H]1CCN(C(=O)Cc2nc[nH]n2)C1 1193372277 BHMDPZFSWUAGSY-RYUDHWBXSA-N 318.381 -0.982 30 20 DBED C=CCC[C@H](C)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(=O)cn2)C1 1195640969 WLMQNTKPROARHQ-CYZMBNFOSA-N 306.366 -0.101 30 20 DBED COc1nccc(C(=O)N2CCCO[C@@H](CNCC#N)C2)n1 1200937216 FXMXXGNCCXIIMU-NSHDSACASA-N 305.338 -0.171 30 20 DBED N#CCSCC(=O)N1CCC(CN[C@H]2CCNC2=O)CC1 1204567372 KSJJNYLAUWBOKS-LBPRGKRZSA-N 310.423 -0.040 30 20 DBED COCC#CCN1C[C@@H](NC(=O)c2cnn(C)c2N)[C@H](C)C1 1206891928 OIYAPSHDWUTDRX-DGCLKSJQSA-N 305.382 -0.298 30 20 DBED Cc1cnoc1C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1209986526 IRJHELJBBCZFDB-GHMZBOCLSA-N 305.338 -0.327 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(CC#CCOC)C[C@H]1OC 1212258029 LZGOCUYVWBFRBU-RBSFLKMASA-N 308.378 -0.510 30 20 DBED COCC#CCN1C[C@@H](NC(=O)Cc2cnc(C)o2)[C@H](OC)C1 1212399040 ASQXNUAVVNWCNQ-HUUCEWRRSA-N 321.377 -0.009 30 20 DBED C#CCCN1C[C@@H](NC(=O)[C@H](C)S(C)(=O)=O)[C@H](OC)C1 1212474849 VXNHSNXJHSMMSG-QJPTWQEYSA-N 302.396 -0.742 30 20 DBED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)C1CC2(CC2)C1 1213430231 AMCCWDXXVOFVTQ-CHWSQXEVSA-N 320.393 -0.368 30 20 DBED C[C@@H]1CN(C(=O)[C@@H](F)C(F)(F)F)C[C@H]1NCC(=O)NCC#N 1214673907 LFPIMUDPUNITHL-NQMVMOMDSA-N 324.278 -0.037 30 20 DBED C=CCCN[C@@H]1CN(C(=O)Cn2ccc(=O)n(C)c2=O)C[C@H]1C 1214780333 VMGQCNJWWJWRTQ-CHWSQXEVSA-N 320.393 -0.440 30 20 DBED C#CCCN[C@@H]1CN(C(=O)[C@H](CCC(N)=O)NC(C)=O)C[C@H]1C 1215944332 HKIWUNUCGNIKDC-KWCYVHTRSA-N 322.409 -0.784 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2[C@@H](C1)OCCN2C(=O)C1CC1 1217172574 OLKOBZPRDSGCLE-FPMFFAJLSA-N 305.378 -0.554 30 20 DBED C=CCCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1C[C@H]1C(N)=O 1218639350 QKZWTFSCFGHDNS-ZOBORPQBSA-N 307.394 -0.014 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)CCc2ccoc2)C1 1219451888 UCGJVSHJKBPWIA-KGLIPLIRSA-N 319.361 -0.877 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)C2CC(C)(C)C2)C1 1219554638 UYCJKNPJGKALHA-BNOWGMLFSA-N 321.421 -0.278 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(CCc2cnn(C)c2)C[C@@H]1O 1219604881 BTTWAOCHUYDKLM-YUELXQCFSA-N 320.393 -0.838 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2cnoc2CC)C1 1220444251 OCGSCHTXMRARMV-NEPJUHHUSA-N 322.365 -0.686 30 20 DBED C#CCCCNC(=O)C(=O)NCC1CCS(=O)(=O)CC1 1258341350 WADVUQFVJLAAAX-UHFFFAOYSA-N 300.380 -0.543 30 20 DBED Cc1oc2ncn(C)c(=O)c2c1C(=O)OCC(=O)NCC#N 1321641214 YYXTWSRABICTRB-UHFFFAOYSA-N 304.262 -0.369 30 20 DBED CC(=O)NC[C@@H]1CN(C(=O)C(=O)NCC2(CC#N)CC2)CCO1 1324390346 QVHGDYHAZTVTHX-GFCCVEGCSA-N 322.365 -0.840 30 20 DBED CN(CCNC(=O)C(=O)N1CC[C@](O)(CC#N)C1)C1CCCC1 1326084338 OPUKCMKYCNKMTO-MRXNPFEDSA-N 322.409 -0.146 30 20 DBED C=CCN(C(=O)C(=O)NCc1cn(CC)nn1)[C@H](C)COC 1328280334 FCAQSEBJSLOAAN-LLVKDONJSA-N 309.370 -0.036 30 20 DBED CN(Cc1cnc[nH]1)C(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1331997510 PBULWZQZMRNADV-ZDUSSCGKSA-N 316.365 -0.433 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2C[C@H]3COC[C@H]3C2)C1=O 1332349956 KQLXSBBVLVFFFQ-XQQFMLRXSA-N 321.377 -0.664 30 20 DBED CC#CC[C@@H](CO)NC(=O)Cc1c(C)[nH]c2ccnn2c1=O 1332506712 HWJSWYGYIGMEGQ-NSHDSACASA-N 302.334 -0.236 30 20 DBED CCN1CCC[C@H](NC(=O)C(=O)N2CC[C@](F)(C#N)C2)C1=O 1333247007 VZFOGMRSULALAI-HZMBPMFUSA-N 310.329 -0.422 30 20 DBED C#CCOCCn1nnnc1N(C)CC(C)(C)S(C)(=O)=O 1334392793 KXZQVNHZPVPGHV-UHFFFAOYSA-N 315.399 -0.418 30 20 DBED C=CCOCCNC(=O)C(=O)N1C[C@H](C)[C@@](C)(C(=O)OC)C1 1335637892 APRUHWMUIAWMAE-NHYWBVRUSA-N 312.366 -0.037 30 20 DBED C=CCOC[C@@H](NC(=O)c1nccnc1C(N)=O)C(=O)OC 1344476247 KSSSVPPBJSTRHY-MRVPVSSYSA-N 308.294 -0.951 30 20 DBED CN(C)[C@H]1CCCC[C@H]1NC(=O)Cn1cc(C#N)c(O)nc1=O 1361766939 YUZFECVCWUBHHD-NEPJUHHUSA-N 319.365 -0.190 30 20 DBED C[C@H]1CN(C(=O)Cn2cc(C#N)c(O)nc2=O)C[C@@]1(C)CO 1362680339 CFFUUJQBRGLDHO-XPTSAGLGSA-N 306.322 -0.703 30 20 DBED N#Cc1cn(CCNC(=O)[C@@H]2[C@H]3CCCO[C@H]32)c(=O)nc1O 1362690542 UYOOESXVDLJFHI-GMTAPVOTSA-N 304.306 -0.638 30 20 DBED N#Cc1cn(CCNC(=O)CCc2cncnc2)c(=O)nc1O 1362691390 VQFVWNHMWSUOHL-UHFFFAOYSA-N 314.305 -0.640 30 20 DBED COCCN(CCC#N)S(=O)(=O)NCc1n[nH]c(C)n1 1364991912 SDAQBXCAXSLVIT-UHFFFAOYSA-N 302.360 -0.690 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(Cc2cc(=O)n3nccc3[nH]2)CC1 1365686686 CUJFKTGILFILGO-NSHDSACASA-N 314.349 -0.174 30 20 DBED CC(C)[C@@H](O)C(=O)N[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1O 1371532191 UWTOPHFNCMGMRH-FRRDWIJNSA-N 320.349 -0.795 30 20 DBED CNC(=O)NCC(=O)N1CC[C@]2(CCN(C(=O)[C@H](C)C#N)C2)C1 1379260135 QQXPIXMJSVNPLH-ABAIWWIYSA-N 321.381 -0.474 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CN([C@@H](C)C(=O)NC(N)=O)C[C@@H]2C1 1380700087 MEURTQWFBIPSMU-XWLWVQCSSA-N 307.354 -0.880 30 20 DBED CCCN(CCNC(=O)[C@H](C)C#N)C(=O)CS(=O)(=O)NC 1388601160 VCIYTKFQJZTBPV-SNVBAGLBSA-N 318.399 -0.950 30 20 DBED C=C(Br)CNC[C@@H](O)CNC(=O)Cc1cc[nH]n1 1392361522 BTAAXBMFPMEOGZ-SNVBAGLBSA-N 317.187 -0.073 30 20 DBED C=C(Cl)CN1CC[C@H]1CNC(=O)CN1CCCS1(=O)=O 1392827797 ANOANURZWIQZKC-NSHDSACASA-N 321.830 -0.035 30 20 DBED Cc1nnc(N2CCO[C@@H](C#N)C2)n1CC(=O)NCC(F)F 1395864800 LDPHOLCEDXZNMJ-VIFPVBQESA-N 314.296 -0.303 30 20 DBED C[C@H](C[S@](C)=O)N(C)C(=O)Cn1cc(C#N)c(O)nc1=O 1412748462 JMDICGZFXSWNPU-ZEDNOMKYSA-N 312.351 -0.954 30 20 DBED CCNC(=O)NC(=O)[C@H](C)N1CC(CNC(=O)[C@H](C)C#N)C1 1419011908 XHJWLCMMOGKSSQ-ZJUUUORDSA-N 309.370 -0.572 30 20 DBED COCCc1noc(CN2CC(CNC(=O)[C@@H](C)C#N)C2)n1 1421130824 JKEKAAIJMWILKV-JTQLQIEISA-N 307.354 -0.034 30 20 DBED CCn1nc(C)c(C(=O)N(C)C[C@@H](O)CNC(=O)[C@@H](C)C#N)n1 1425833077 QGOKADGRLQIXPO-ONGXEEELSA-N 322.369 -0.685 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)COc2ccccc2)C1 1452666480 JVMOYHRLXRNMCM-MRVWCRGKSA-N 317.345 -0.087 30 20 DBED C[C@@H](C#N)C(=O)NC1(CN[C@@H](C)C(=O)NC(N)=O)CCCC1 1481892207 OVFSVVQYQRZBQC-UWVGGRQHSA-N 309.370 -0.252 30 20 DBED CCN1C[C@H](C(=O)N(CC)CCNC(=O)[C@@H](C)C#N)CC1=O 1496937637 JOJDVGYGLYWFMQ-NWDGAFQWSA-N 308.382 -0.021 30 20 DBED CCN(CCNC(=O)[C@@H](C)C#N)C(=O)Cn1ccccc1=O 1496939544 VDJPLVFPTPIWRL-LBPRGKRZSA-N 304.350 -0.027 30 20 DBED C[C@@H](C#N)C(=O)N1CC([C@@H](C)NC(=O)CCc2cnn[nH]2)C1 1509513714 KUCKDQLKGSENTQ-VHSXEESVSA-N 304.354 -0.140 30 20 DBED C#CCN1CCN(c2nnc(CCO)n2C[C@@H]2CCOC2)CC1 1516280969 DCQFXTHJQZGJHL-AWEZNQCLSA-N 319.409 -0.395 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCNC(=O)c1cccc(C(N)=O)n1 1528310249 JPZZIEOUMRYQEK-VIFPVBQESA-N 303.322 -0.472 30 20 DBED CS(=O)(=O)C[C@@H](O)CNc1c(C#N)cccc1-c1nn[nH]n1 1570929928 BSYSEQDRSGMOQL-VIFPVBQESA-N 322.350 -0.444 30 20 DBED C=CCOCC(=O)N1CC[C@@H]([C@H](C)NC(=O)CNC(=O)O)C1 1573369604 WSHQRRCPUICIOL-WDEREUQCSA-N 313.354 -0.190 30 20 DBED C#CCN(c1nnc(C)n1CCNC)[C@@H]1CCS(=O)(=O)C1 1574672588 CBFOERDTWKKSNC-GFCCVEGCSA-N 311.411 -0.567 30 20 DBED CC(C)(C)OC(=O)C1=NO[C@H](C(=O)N2CCNC[C@@H]2C#N)C1 1575153068 NAHDITKJTCAAEY-ONGXEEELSA-N 308.338 -0.203 30 20 DBED C[C@@H]1CC[C@H](C(N)=O)CN1c1cnc(C#N)c(-c2nn[nH]n2)n1 1576101470 SJBLMAMDKVVMNM-SFYZADRCSA-N 313.325 -0.381 30 20 DBED COCCNCCNC(=O)CCN/C(O)=C1/N=CC=CC1=O 1579046591 YIILRBSVFJCVOC-YPKPFQOOSA-N 310.354 -0.745 30 20 DBED C[C@@H](CN(C)CCCN(C)C)NC(=O)N[C@@H]1CNC[C@H]1C#N 1579397280 PJLHPBUJDITNFW-BFHYXJOUSA-N 310.446 -0.331 30 20 DBED C[C@@]1(CO)CN(C(=O)C2CC3(CNC[C@@H]3C#N)C2)C[C@]1(C)CO 1579473260 ODJYCOXYSDXBTH-YSXDYPPWSA-N 321.421 -0.035 30 20 DBED N#Cc1ccc2c(c1)CCN[C@H]2C(=O)Nn1ccc(O)nc1=O 1580075189 TUCZWSCUFPCSPR-CYBMUJFWSA-N 311.301 -0.222 30 20 DBED C#C[C@H]1COCCN1C(=O)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 1588331987 ZRFPMDYRLNPDJQ-STQMWFEESA-N 313.317 -0.239 30 20 DBED C#CCNCc1cn(C2CN(C(=O)[C@@H]3C[C@@H]3C(=O)O)C2)nn1 1588485554 XCZRHAYXFDRMPY-NEPJUHHUSA-N 303.322 -0.895 30 20 DBED C=CCn1cc(CNC(=O)N2C[C@H](C)O[C@H](C(=O)O)C2)nn1 1588908932 AKYKXSXJXXNFNX-ONGXEEELSA-N 309.326 -0.152 30 20 DBED C[C@H](C(=O)NCC(=O)O)N1CCN(c2cc(C#N)ccn2)CC1 1589400466 MZGZMPCUPWGLLT-LLVKDONJSA-N 317.349 -0.335 30 20 DBED N#CCCNC(=O)C(=O)Nc1ccc(F)cc1-c1nn[nH]n1 1592677862 IKMARTAEJUJJFW-UHFFFAOYSA-N 303.257 -0.026 30 20 DBED Cc1nc(N2CCN(C(=O)[C@](C)(C#N)CC(=O)O)CC2)n[nH]1 1594441763 SCRDGELKQAZLFG-ZDUSSCGKSA-N 306.326 -0.234 30 20 DBED Cn1cc(C[C@H](CO)CNC(=O)[C@@](C)(C#N)CC(=O)O)cn1 1594541571 CINFEJHPJCBQGE-SMDDNHRTSA-N 308.338 -0.308 30 20 DBED N#CCC(=O)N1CCN(C(=O)Nc2ccn(CC(=O)O)n2)CC1 1601061655 ZFBRTHHCCAOOKB-UHFFFAOYSA-N 320.309 -0.443 30 20 DBED C#CC[C@@H](CO)Nc1ccc(C(=O)OC)nc1-c1nn[nH]n1 1602696983 IAENMAXBAPCWOQ-QMMMGPOBSA-N 302.294 -0.156 30 20 DBED CC(C)[C@H](NCCCNc1[nH]c(=O)n(C)c(=O)c1C#N)C(=O)O 1603980669 NFWCYWSHHWEESO-JTQLQIEISA-N 323.353 -0.554 30 20 DBED CN(Cc1nnc(O)o1)c1cnc(C#N)c(-c2nn[nH]n2)n1 1604823368 GCPQLNXAYADWTK-UHFFFAOYSA-N 300.242 -0.747 30 20 DBED N#CCn1cc(NC(=O)C(=O)NCc2ccc(C(=O)O)o2)cn1 1608190200 MSRNPBFEPFLUDF-UHFFFAOYSA-N 317.261 -0.047 30 20 DBED CC(=NNC(=S)NCC(N)=O)c1ccccc1-c1nn[nH]n1 1609061011 VVFNLNOLLYBRLX-UHFFFAOYSA-N 318.366 -0.460 30 20 DBED N#Cc1nc(N)n(CC(=O)Nc2nccs2)c1-c1nn[nH]n1 1609500979 OYBKZLRXIUSQFS-UHFFFAOYSA-N 316.310 -0.388 30 20 DBED N#Cc1cccc([C@@H](C(=O)O)N2CCN3C(=O)NC(=O)[C@@H]3C2)c1 1610630299 NEKUXTOZBYRBPS-RYUDHWBXSA-N 314.301 -0.080 30 20 DBED CC(C)(CC#N)CS(=O)(=O)NC[C@]1(O)CCS(=O)(=O)C1 1647265675 YKPRPFJKSIJFCC-LLVKDONJSA-N 324.424 -0.605 30 20 DBED N#CCCn1ccc(NC(=O)c2cnn(C[C@@H](O)CO)c2)n1 1647289318 WOQHUJDSWVZDMD-LLVKDONJSA-N 304.310 -0.401 30 20 DBED COC[C@@H](O)CN1CC2(C1)CN(C(=O)C#CC1CC1)CCO2 1673505644 LOERUVZYVBLRMW-AWEZNQCLSA-N 308.378 -0.680 30 20 DBED C#CCNC[C@H]1CCCN1C(=O)C(C)(C)NS(C)(=O)=O 1723950470 BFDDOPXWZFVMKN-LLVKDONJSA-N 301.412 -0.472 30 20 DBED C#CCNC(=O)CN[C@@H](CNC(=O)Cn1ccnc1C)C1CC1 1752498660 COBMSKNRDQDTPF-AWEZNQCLSA-N 317.393 -0.575 30 20 DBED N#CCNC(=O)CN(CCNC(=O)[C@@H]1[C@H]2COC[C@H]21)C1CC1 1753159935 PQTUWMUXWFHKEP-IMRBUKKESA-N 306.366 -0.901 30 20 DBED CN(CCNCC(=O)NCC#N)C(=O)c1cn(C)nc1C1CC1 1753193468 WQYHLYUFWZXOSQ-UHFFFAOYSA-N 318.381 -0.401 30 20 DBED C=CCN1CC[C@@H](NCCN(C)C(=O)Cc2cncn2C)C1=O 1753252209 OUKCPPXBIULPFA-CQSZACIVSA-N 319.409 -0.203 30 20 DBED C=CCNC(=O)CN1CC(CNC(=O)c2cc[n+]([O-])cc2)C1 1753396276 LZHDKGZCVDUFBW-UHFFFAOYSA-N 304.350 -0.716 30 20 DBED CCO[C@H](C(=O)NCC1CN(CC(=O)NCC#N)C1)C(C)C 1753403570 ZVAXIURDCDKXQL-AWEZNQCLSA-N 310.398 -0.265 30 20 DBED COCC#CCNC[C@@H](C)CNC(=O)c1cccc(=O)n1C 1753629220 JQMWRTYFMGHMCE-CYBMUJFWSA-N 305.378 -0.009 30 20 DBED C=CCNC(=O)CN1CCO[C@@H](CNC(=O)CC(C)(C)O)C1 1753648999 AWRUKTCEEXQZSR-LBPRGKRZSA-N 313.398 -0.733 30 20 DBED C#CCNC(=O)CNC[C@H]1[C@H](C)CCCN1C(=O)c1nc[nH]n1 1753812290 ORJAWRGTLANJKX-NEPJUHHUSA-N 318.381 -0.616 30 20 DBED C=CCNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)c1ccc(C#N)[nH]1 1753908029 DSUHMUYRUMCLLF-CMPLNLGQSA-N 319.365 -0.743 30 20 DBED Cc1nc([C@H](C)N2CC(O)(CNC(=O)CSCC#N)C2)n[nH]1 1754763471 TXJJJYSXKZVRJL-VIFPVBQESA-N 324.410 -0.406 30 20 DBED C=CCCN1CCOC[C@H]1CNC(=O)CC[C@@H]1NC(=O)NC1=O 1754974010 HZIBWFNUZDHOMR-NEPJUHHUSA-N 324.381 -0.632 30 20 DBED C=CCNCC1CC(NC(=O)c2c[nH]nc2S(N)(=O)=O)C1 1755217811 DCNWMNGVAFXCEL-UHFFFAOYSA-N 313.383 -0.659 30 20 DBED COc1c(C(=O)NC2(CCO)CN(CC#N)C2)c(C)nn1C 1755336631 BCYPAJRJVBKRMR-UHFFFAOYSA-N 307.354 -0.573 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@@H](C)N(C(=O)c2cnn(C)c2C)C1 1755671610 ZEWHLALYUFZXAU-YPMHNXCESA-N 317.393 -0.329 30 20 DBED C=CCOCC(=O)N(C)[C@@H](C)CNC(=O)c1nnn(C)c1C 1756013834 ZNLVYAKCQUJAGW-JTQLQIEISA-N 309.370 -0.097 30 20 DBED C=CCO[C@H](C)C(=O)N1C[C@H]2CC[C@H]1CN2C(=O)CNC(C)=O 1756162506 STYCIPCFNOPWHW-BNOWGMLFSA-N 323.393 -0.085 30 20 DBED CS(=O)(=O)CC(=O)N[C@H]1C[C@H](CNC(=O)C#CC2CC2)C1 1756243506 ZRPFAEMFISTOHB-HAQNSBGRSA-N 312.391 -0.545 30 20 DBED C=CCOCCCC(=O)N1C[C@@H](NC(=O)CC(N)=O)C[C@H]1C 1756584468 WSLYUZICOBRXEN-NEPJUHHUSA-N 311.382 -0.050 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@H](NC(=O)Cc2ccc[nH]2)C1 1757177523 MSXYMXPKRIUJSI-OLZOCXBDSA-N 307.350 -0.552 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@H](NC(=O)c2cn(CC)nn2)C1 1757206712 VLPBNKCIFRVSQT-PWSUYJOCSA-N 307.354 -0.434 30 20 DBED CC(=O)N[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1783169820 LSTFPXVQCJCDIP-IAQYHMDHSA-N 322.365 -0.745 30 20 DBED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)n[nH]3)[C@H]2C1 1786940963 QUFFMADSUAIXPB-NHCYSSNCSA-N 318.333 -0.658 30 20 DBED C#CCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)O)C2 1800995491 KIZMIUNDAOATHK-GUIRCDHDSA-N 308.378 -0.240 30 20 DBED C#CCNC(=O)COC(=O)c1csc(S(N)(=O)=O)c1 21839442 KHSRPRIYEFLTPQ-UHFFFAOYSA-N 302.333 -0.698 30 20 DBED C#CCNS(=O)(=O)c1ccc(C(=O)NCC(=O)OC)cc1 30695647 AOCATGIFDMBCLU-UHFFFAOYSA-N 310.331 -0.499 30 20 DBED CCNS(=O)(=O)CCNS(=O)(=O)c1ccc(C#N)cc1 68922534 JNKJHYRABXPPON-UHFFFAOYSA-N 317.392 -0.224 30 20 DBED C#CCN(CC(=O)O)C(=O)CNS(=O)(=O)c1ccccc1 92478081 AISSBHXVWOSEJP-UHFFFAOYSA-N 310.331 -0.489 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCc2cncn2C)C1=O 291338502 WHOWDONMUDTUCM-UHFFFAOYSA-N 305.294 -0.987 30 20 DBED C#CCOc1ccc(F)cc1NC(=O)C(=O)N[C@@H]1COC[C@H]1O 296253377 RUMITBHLCKTGPQ-VXGBXAGGSA-N 322.292 -0.348 30 20 DBED C=CCC[C@H](CO)NS(=O)(=O)N1CCC(C(=O)O)CC1 320349709 CHOBSLLBNRFBRM-LLVKDONJSA-N 306.384 -0.056 30 20 DBED C[C@H](CN1CCOCC1)N/C(O)=N/C[C@@H]1CN(C)CCN1C 329374906 NOUMKUUNOYGCOJ-ZIAGYGMSSA-N 313.446 -0.544 30 20 DBED C[C@H](CN1CCCC1=O)/N=C(/O)N1CCN2CCOC[C@@H]2C1 329786572 QQPHEPDYKGAPBW-OLZOCXBDSA-N 310.398 -0.072 30 20 DBED CN(CCC#N)S(=O)(=O)NCCCN1CCC(O)CC1 331282619 RKXCYUNKCVBUAF-UHFFFAOYSA-N 304.416 -0.487 30 20 DBED COC(=O)CN1CCN(S(=O)(=O)CC2(CC#N)CC2)CC1 331928796 GPAMVNCSJQJNTL-UHFFFAOYSA-N 315.395 -0.199 30 20 DBED COC(=O)[C@H](NS(=O)(=O)N1CCO[C@@H](C#N)C1)C(C)C 336882581 CAHIQVDYOVTBJD-VHSXEESVSA-N 305.356 -0.757 30 20 DBED COc1ncccc1C(=O)Cn1c(=O)c(C#N)cn(C)c1=O 340667147 NHCAUSFBJBKFDJ-UHFFFAOYSA-N 300.274 -0.295 30 20 DBED C=CC[C@H](CO)CNC(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 341839547 AOBYBFOHHXCUIR-NEPJUHHUSA-N 319.427 -0.248 30 20 DBED C=CCN(CCCC(=O)NC(N)=O)[C@H]1CCS(=O)(=O)C1 343035454 SBWKWANMVUYHDG-JTQLQIEISA-N 303.384 -0.363 30 20 DBED C=CCNC(=O)CNC(=O)Nc1cnc(OC)c(C(N)=O)c1 348228837 KKBZTPSXGUNAPQ-UHFFFAOYSA-N 307.310 -0.387 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCC2(OC)CCC2)C1=O 348603519 VXNIQYIMGMCMMD-LBPRGKRZSA-N 323.393 -0.083 30 20 DBED COCCN(CC(=O)OC)S(=O)(=O)c1cncc(C#N)c1 352247844 RBVNQWYZKAAQSU-UHFFFAOYSA-N 313.335 -0.237 30 20 DBED COc1cc(F)ccc1NC(=O)C(=O)NCC(=O)NCC#N 357292880 AOMINZNJRSTGEA-UHFFFAOYSA-N 308.269 -0.471 30 20 DBED CC(C)OCCS(=O)(=O)NCC(=O)N1CCOC[C@@H]1C#N 362414791 FVAJMCRNYMEMBR-NSHDSACASA-N 319.383 -0.918 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H]2CCCS2)C1=O 362552120 WNPFDPMEAZTUOI-SECBINFHSA-N 311.363 -0.025 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)CCCC(=O)NC)CC1 435936682 PIKXYUGCCMASLA-UHFFFAOYSA-N 310.398 -0.651 30 20 DBED COC(=O)C[C@H]1CN(S(=O)(=O)N(C)CCC#N)CCO1 487127223 WDMZOSHZWPXYSH-JTQLQIEISA-N 305.356 -0.659 30 20 DBED C#CCN1CCN(C(=O)CN[C@@H](c2nncn2C)C(C)C)CC1 491806414 QLMUGAVVZXHYIL-OAHLLOKOSA-N 318.425 -0.121 30 20 DBED N#CCNC(=O)CNS(=O)(=O)c1ccc(C(=O)O)cc1F 505858730 JIXIQRAYGSIPQU-UHFFFAOYSA-N 315.282 -0.558 30 20 DBED CC(C)NS(=O)(=O)N1CCN(c2ncncc2C#N)CC1 516054635 XXGUGZDCWHXSDT-UHFFFAOYSA-N 310.383 -0.287 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N(CCN(C)C)CCN(C)C 554661847 JSTIJEZNTHKDSP-CYBMUJFWSA-N 319.475 -0.110 30 20 DBED N#Cc1ccc(S(=O)(=O)N(CCO)CCOCCO)cc1 565234199 CLRHKRQKVXAUSW-UHFFFAOYSA-N 314.363 -0.450 30 20 DBED C=C[C@H]1CCCCN1C(=O)C(=O)NCC(=O)N1CCNCC1 567097677 IMIWHNKHBRZUKG-LBPRGKRZSA-N 308.382 -0.899 30 20 DBED CCN(CCC#N)S(=O)(=O)N[C@H]1CCN(S(C)(=O)=O)C1 574994233 UCNURFAOAGNYJA-JTQLQIEISA-N 324.428 -0.910 30 20 DBED Cc1cc(NC(=O)C(=O)NCC[C@@H](C)N(C)C)nn1CCC#N 595125245 LKPCXTFJTIGLCB-LLVKDONJSA-N 320.397 0.500 30 20 DBED C[C@@]1(CO)C[C@H](O)CN1CC(=O)NCc1cccc(C#N)c1 602906780 KIHXTRQSDGEYJD-HOCLYGCPSA-N 303.362 -0.008 30 20 DBED COCCN1CCC[C@H](Nc2c(C#N)c(=O)n(C)c(=O)n2C)C1 609269373 ZUBXUZXWQUAJGT-NSHDSACASA-N 321.381 -0.522 30 20 DBED NC(=O)CNC(=S)NN=Cc1cccc(OCCC(=O)O)c1 731928806 VLTYFHMLYVCJNJ-UHFFFAOYSA-N 324.362 -0.177 30 20 DBED CNS(=O)(=O)[C@H]1CCCN(Cn2cccc(C#N)c2=O)C1 758227153 TZNZZQIHKATACR-LBPRGKRZSA-N 310.379 -0.309 30 20 DBED COCC(=O)N(C)CC(=O)NCCNc1ccc(C#N)cn1 758355914 UIWIVLDDZDICSD-UHFFFAOYSA-N 305.338 -0.414 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N[C@@H]1CCC[C@H]1C(=O)NC 783017506 UZMBNSYRVGZJMT-GHMZBOCLSA-N 317.411 -0.199 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N(C)[C@H]1CCN(C)C1=O 783307938 BRPLWHFXHCUCJY-JTQLQIEISA-N 303.384 -0.541 30 20 DBED C#CCOCCNC(=O)NC[C@H]1CCC[C@@]12NC(=O)N(C)C2=O 784349215 SZTZTMVLLZTWLU-IAQYHMDHSA-N 322.365 -0.344 30 20 DBED COCCn1ccc(C(=O)NS(=O)(=O)CCCC#N)n1 784542681 ZHMCPBZADPJRKJ-UHFFFAOYSA-N 300.340 -0.107 30 20 DBED C#CCC[C@H](O)CNC(=O)Nc1ccn(CC(=O)N(C)C)n1 799211647 CCKYEWYLQPTYKQ-NSHDSACASA-N 307.354 -0.133 30 20 DBED C#C[C@H](NC(=O)C(=O)N1[C@H]2CC[C@H]1CC(O)C2)[C@@H]1CCCO1 809307503 DUUMCMXNWZLRRM-IMIFBBOLSA-N 306.362 -0.202 30 20 DBED C#CCCS(=O)(=O)NC(=O)c1nnn(-c2ccn(C)n2)c1C 816056213 JMAHBXKOTVZYRB-UHFFFAOYSA-N 322.350 -0.608 30 20 DBED CC[C@@H](NC(=O)[C@@](C)(C#N)CC(=O)O)C(=O)N1CCOCC1 820278181 IHUNSSOMRHJHFS-QMTHXVAHSA-N 311.338 -0.255 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)C[C@H]2CCCO2)CC1 831557034 ZZUBJAYWBBFBFU-GFCCVEGCSA-N 315.395 -0.833 30 20 DBED C#CCOc1ccc(F)cc1NC(=O)C(=O)N[C@H](CO)[C@@H](C)O 839598170 ORYYPFZGFKPNHF-BXKDBHETSA-N 324.308 -0.366 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@@H]1CCCS1(=O)=O 848857817 CNKDADPZHZUWCO-IUCAKERBSA-N 318.351 -0.493 30 20 DBED C#CCOCCOC(=O)CNS(=O)(=O)c1ccccc1N 853914510 JSESGSLCIHVKIA-UHFFFAOYSA-N 312.347 -0.260 30 20 DBED C#CC[C@H](CO)NC(=O)[C@H](C)N1C(=O)NC2(CCCC2)C1=O 854547622 XAWFPSLUCKLMPI-WDEREUQCSA-N 307.350 -0.260 30 20 DBED C#CC[C@@H](CO)NS(=O)(=O)c1ccc2c(c1)CC(=O)N2C 882342730 HZGRALNZTFPQTI-NSHDSACASA-N 308.359 -0.132 30 20 DBED C#CCN1CCC[C@@H](Nc2c(C#N)c(=O)n(C)c(=O)n2C)C1 884611410 LVOYPWUCPHZRDB-LLVKDONJSA-N 301.350 -0.535 30 20 DBED C#CC1(O)CN(C(=O)[C@@H](O)[C@H](O)c2nc3ccccc3s2)C1 890524376 LPTLQQDXRGNIKM-RYUDHWBXSA-N 318.354 -0.103 30 20 DBED C#Cc1cccc(NC(=O)CNC(=O)[C@H]2OCCN(C)C2=O)c1 900281223 JJNXWIQZYVWMOG-CQSZACIVSA-N 315.329 -0.420 30 20 DBED N#CCCN1CCN(C(=O)C(=O)N2C[C@H]3CC[C@H]2[C@H](O)C3)CC1 910825920 KWCZUZDUDBTTQF-MELADBBJSA-N 320.393 -0.584 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)Cc1cnn(C)c1 936590825 WUJOVMHMMMYGJU-DRZSPHRISA-N 301.350 -0.066 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@@H]2CCCCN2C(=O)C(N)=O)c1 937465109 PSGQEFLOEQFLOY-JTQLQIEISA-N 303.322 -0.517 30 20 DBED O=C(NC[C@H]1CN(C(=O)C#CC2CC2)CCO1)[C@H]1COCCO1 944490468 YEPRJTWVAUDUSR-UONOGXRCSA-N 322.361 -0.841 30 20 DBED C#Cc1cncc(C(=O)N2CC[C@H](NC(=O)C(N)=O)[C@@H](C)C2)c1 945512127 ITLQTOWWHJYHSH-GWCFXTLKSA-N 314.345 -0.485 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(NC(=O)[C@]2(C)CNC(=O)C2)CC1 948106419 NQYAXCLBLYZSEG-BONVTDFDSA-N 306.366 -0.221 30 20 DBED O=C(N[C@@H]1CCCN(C(=O)C#CC2CC2)C1)c1c[nH]c(=O)cn1 950762197 USXWPEFFOGOWPY-GFCCVEGCSA-N 314.345 -0.096 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@@H]2CNC(=O)[C@@H]2CCC(=O)N2)c1 951382089 UEIZBOIIPVATCZ-MNOVXSKESA-N 315.333 -0.504 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1cnon1 951770197 LZGYWJDDKXMLNW-YPMHNXCESA-N 317.349 -0.502 30 20 DBED CN1CC[C@H](N2C[C@H]3C(NC(=O)c4c[nH]c(C#N)c4)[C@@H]3C2)C1=O 958618301 RCPJARDBXAPECY-UPJWGTAASA-N 313.361 -0.223 30 20 DBED C=CCN1CC[C@H](NC[C@@H]2CCCCN2C(=O)C(N)=O)C1=O 960113894 HYHWAMOSYOHZJA-RYUDHWBXSA-N 308.382 -0.771 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H]2CN(C(=O)Cc3cnoc3)C[C@@H]21 960880299 UYOWCCBFWXVELE-WCFLWFBJSA-N 318.333 -0.185 30 20 DBED Cc1cc(C(=O)NC[C@@H]2COCCN2C(=O)[C@@H](C)C#N)ncn1 964150768 RGBOTCYIICQOJL-CMPLNLGQSA-N 317.349 -0.098 30 20 DBED N#Cc1ccc(C(=O)N2C[C@H]3CCN(C(=O)CC(N)=O)C[C@H]32)[nH]1 971847749 JMVJPYXKIJPUGZ-BXKDBHETSA-N 315.333 -0.565 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)C[C@H]3CCC(=O)N3)C2)C1 972593539 NDUVWJFZYIAYJR-CJNGLKHVSA-N 305.378 -0.408 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)Cc3cncn3C)C2)C1 972637526 CMENMFKASUBUSE-MRXNPFEDSA-N 302.378 -0.101 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)c3cc(C(N)=O)c[nH]3)[C@H]2C1 977058392 NACIJYDXKGATRD-QAHWYCSRSA-N 315.333 -0.540 30 20 DBED C=CCN(C)[C@H]1CCN(C(=O)c2cn(CC(=O)N(C)C)nn2)C1 980482839 CNXRZRJSAYETPL-LBPRGKRZSA-N 320.397 -0.301 30 20 DBED N#CCN1CCCN(C(=O)[C@@]23C[C@H]4C[C@@H](C(=O)N2)[C@H]3C4)CC1 981495123 QEPOUXWKPLLJNB-VLXAULBPSA-N 302.378 -0.041 30 20 DBED CC#CCN1CCCC2(C1)CN(C(=O)CN1CCOCC1=O)C2 981816183 PLVFYKUWGJLTPT-UHFFFAOYSA-N 319.405 -0.207 30 20 DBED C#CCN1CCC(C(=O)NC2CN(C(=O)c3cn[nH]c3)C2)CC1 993854676 GPDHHEUUYLCFEF-UHFFFAOYSA-N 315.377 -0.305 30 20 DBED C#CCN1CCC[C@H](NC(=O)CN2CC(=O)N(C)C2=O)[C@H]1C 994210774 MJBKULQGRQYSOZ-NEPJUHHUSA-N 306.366 -0.517 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN(C(=O)c2cn[nH]c2)C1 994752916 WQNOBPGRLZEKHB-ZDUSSCGKSA-N 301.350 -0.552 30 20 DBED CC1(C)CN(C(=O)[C@H]2CCc3nnc(O)n3C2)C[C@@H]1NCC#N 995983051 WKYJIAYIRRTDIZ-QWRGUYRKSA-N 318.381 -0.104 30 20 DBED C=CCN1CC[C@H](N[C@@H]2CCCN(C(=O)CC(N)=O)C2)C1=O 998782674 XLSQGGNFPAOJKK-NEPJUHHUSA-N 308.382 -0.771 30 20 DBED COc1c(C(=O)NC2CN(C(=O)[C@@H](C)C#N)C2)c(C)nn1C 1000244118 JLRVZPLIURZBJK-QMMMGPOBSA-N 305.338 -0.163 30 20 DBED O=C1NC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C#CC2CC2)N1 1005640125 JAXIOKMDFSMXOH-NDBYEHHHSA-N 316.361 -0.671 30 20 DBED C[C@@H]1CN(C)C[C@H](C(=O)N2CCN(C(=O)C#CC3CC3)CC2)O1 1011107798 QHNABPJYFKUFOK-UKRRQHHQSA-N 319.405 -0.210 30 20 DBED C=C(Cl)CN[C@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)C1 1019650284 FZHJNYVUGZIMOS-VIFPVBQESA-N 322.756 -0.026 30 20 DBED C=CCCN1CC[C@H](CNC(=O)C2CC3(C2)NC(=O)NC3=O)C1 1028864795 RZBQMNUMINMXBL-OPGSHWCFSA-N 320.393 -0.011 30 20 DBED C=CCn1cc(C(=O)NC2CN(Cc3cnsn3)C2)nn1 1031070188 SUBRZCCUXCVQNP-UHFFFAOYSA-N 305.367 -0.070 30 20 DBED Cn1c(=O)ccn(CC(=O)N[C@@H]2CCCCN(CC#N)C2)c1=O 1034231247 LFTLRDVCULHOSK-GFCCVEGCSA-N 319.365 -0.959 30 20 DBED N#CCN1CCO[C@H](CNC(=O)c2ccoc2CC(N)=O)C1 1035486818 GRLYPPJLNWYKFS-SNVBAGLBSA-N 306.322 -0.738 30 20 DBED N#CCN1CCO[C@H](CNC(=O)[C@@H]2CCCc3nn[nH]c32)C1 1035491679 YLVHDAWOAFTNMF-GHMZBOCLSA-N 304.354 -0.435 30 20 DBED CC(C)C#CC(=O)NC[C@@]1(O)CCN(C(=O)Cc2cnc[nH]2)C1 1039667837 IXZNPTOTLJFZJY-INIZCTEOSA-N 318.377 -0.309 30 20 DBED Cc1ccnc(C(=O)N2CC[C@](O)(CNC(=O)[C@H](C)C#N)C2)n1 1040763482 PCQLECXFLZZQIT-BMIGLBTASA-N 317.349 -0.362 30 20 DBED C#CCCN1CC[C@@]2(CCN(C(=O)CN3C(=O)CNC3=O)C2)C1 1041819379 FVXZMWLQPPAGKM-MRXNPFEDSA-N 318.377 -0.514 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2OCC)C1 1042039806 IKBIGLKNKAGFGJ-VXGBXAGGSA-N 312.366 -0.697 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)c2cccc(O)n2)C1 1042352615 ZQGYKBDAFYUWLH-UHFFFAOYSA-N 317.345 -0.250 30 20 DBED C#CCNC(=O)CC(=O)NCC1(O)CN(C(=O)C2(C)CCC2)C1 1042672289 KZEQNGJYCFTTBY-UHFFFAOYSA-N 321.377 -0.994 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(O)CN(C(=O)c2cnccn2)C1 1042809728 QRIUVHASDPGXLG-CQSZACIVSA-N 320.349 -0.893 30 20 DBED C#Cc1ccc(C(=O)N2CC(O)(CNC(=O)C#CC3CC3)C2)nc1 1042960407 IZIUXWMZGMWBMH-UHFFFAOYSA-N 323.352 -0.221 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)[C@@]23COC[C@@H]2C3)C1 1043370360 GEJOSLIQQMZUDJ-MKBNYLNASA-N 324.377 -0.697 30 20 DBED C[C@@H]1CN(C(=O)[C@@H]2CCNC2=O)C[C@H]1N=c1cc[nH]c(C#N)n1 1043434007 YOAUPQVKSDAESX-GMTAPVOTSA-N 314.349 -0.835 30 20 DBED C=CCCOCC(=O)NCC1(O)CN(C(=O)CCOC)C1 1043567246 BIKOHEDXOCPGIV-UHFFFAOYSA-N 300.355 -0.695 30 20 DBED C=C[C@@](C)(CCOC)C(=O)NCC1(O)CN(C(=O)COC)C1 1044068114 OZBQAVVXBTWWSM-AWEZNQCLSA-N 314.382 -0.449 30 20 DBED C#CCN[C@@H]1CCN(C(=O)CN2C(=O)CN(C)C2=O)[C@@H](C)C1 1044847581 CGUQASAVROQDNM-NWDGAFQWSA-N 306.366 -0.517 30 20 DBED C#CCN1[C@H]2CC[C@H]1CN(C(=O)CN1CCNC(=O)C1)CC2 1045826083 PWHVWVKECQMPKX-KBPBESRZSA-N 304.394 -0.883 30 20 DBED C=C[C@H](CC)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CC(N)=O)C1 1048612578 IFBCXIWYZJYFNI-WOPDTQHZSA-N 311.382 -0.506 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@@H]([C@@H](C)NC(=O)C(N)=O)C2)cn1 1051309929 YTWRAEANNPAJHA-ZYHUDNBSSA-N 314.345 -0.485 30 20 DBED C=CCCN1CCN([C@H]2CCN(C(=O)c3nnn(C)n3)C2)CC1 1052067945 RIQPUWDGQDWYSL-ZDUSSCGKSA-N 319.413 -0.382 30 20 DBED Cn1cc(C(=O)N2CC[C@@H](N3CCN(CC#N)CC3)C2)nc1O 1052075606 BDFUWDRADZMQFR-GFCCVEGCSA-N 318.381 -0.519 30 20 DBED C=CCOCC(=O)N1C[C@@H](C)[C@@H](CNC(=O)c2cn(C)nn2)C1 1052221942 VYPILRLFCSSMFE-NEPJUHHUSA-N 321.381 -0.158 30 20 DBED C=C(C)CN1CC2(C1)CN(C(=O)c1cn(C)c(=O)n1C)CCO2 1053544199 WIDZJRVFDGYHKY-UHFFFAOYSA-N 320.393 -0.173 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)[C@@H]3CN4CCC3CC4)CO2)C1 1053802466 BDPSKXPKQHWYOO-UONOGXRCSA-N 304.394 -0.189 30 20 DBED CC(=O)NCC(=O)N[C@]1(CO)CCCN(C(=O)C#CC(C)C)C1 1055718668 NYBJAQVYXZAILP-MRXNPFEDSA-N 323.393 -0.748 30 20 DBED N#Cc1cnc(N2CCN(C(=O)CCn3cnnn3)CC2)cn1 1055882580 AVIVKICVOGJQTI-UHFFFAOYSA-N 313.325 -0.926 30 20 DBED C[C@H](C#N)C(=O)N[C@]1(CO)CCCN(C(=O)c2nc[nH]n2)C1 1056097979 YAPZPFDCEVGFOW-NOZJJQNGSA-N 306.326 -0.952 30 20 DBED N#Cc1nccnc1N[C@@H]1CCN(C(=O)CN2CCOCC2)C1 1056607859 NOYWISHSHNGJOJ-GFCCVEGCSA-N 316.365 -0.307 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H]2CN(C(=O)[C@H](C)NC(N)=O)C[C@H]21 1056714023 YGLPJQQSZQDTTR-FIQHERPVSA-N 321.381 -0.348 30 20 DBED CN(c1ccnc(C#N)n1)[C@H]1CCN(C(=O)[C@@H]2COCCO2)C1 1056868258 AESITZAOKCGLBM-RYUDHWBXSA-N 317.349 -0.199 30 20 DBED CO[C@H](C)CC(=O)NCCN(CCO)C(=O)c1c[nH]c(C#N)c1 1057391924 SDNOJKNGDDYJHB-LLVKDONJSA-N 322.365 -0.138 30 20 DBED N#Cc1nccnc1NC1CCN(C(=O)[C@H]2CCNC2=O)CC1 1057399077 RBTSKGMVCBDEMG-NSHDSACASA-N 314.349 -0.113 30 20 DBED C=C[C@@](C)(O)CC(=O)N(CCO)CCNC(=O)c1ccon1 1057449974 KYTOFCFCTHKPRO-CQSZACIVSA-N 311.338 -0.448 30 20 DBED Cn1cncc1C(=O)N(CCO)CCNC(=O)C#CC1CC1 1058029544 IOPPKXAVHHXSKN-UHFFFAOYSA-N 304.350 -0.616 30 20 DBED N#Cc1ccc(N2CC[C@@H](NC(=O)[C@@H]3CCNC(=O)C3)C2)nn1 1058335839 GOZVSXZXPMBENG-ZYHUDNBSSA-N 314.349 -0.431 30 20 DBED C=C[C@](C)(CC)C(=O)NCCN(CCO)C(=O)c1nc[nH]n1 1058380886 RHKMSBXVMZBNCF-CQSZACIVSA-N 309.370 -0.042 30 20 DBED N#Cc1cncc(N2CC[C@H](NC(=O)[C@@H]3CCC(=O)N3)C2)n1 1058408256 BZXTZGHUMRALHE-ONGXEEELSA-N 300.322 -0.678 30 20 DBED N#Cc1nccnc1N[C@H]1C[C@@H](NC(=O)[C@H]2CCNC(=O)C2)C1 1059597300 WJPFYRNSZJPDKY-GARJFASQSA-N 314.349 -0.066 30 20 DBED COCC(=O)N1CCOC[C@@H]1CNC(=O)CSCC#N 1061318336 SCBUTPPNWVCPDO-JTQLQIEISA-N 301.368 -0.767 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)c1cc[n+]([O-])cc1 1061845242 FVUMYZRCAODQHL-YPMHNXCESA-N 318.333 -0.563 30 20 DBED Cc1nonc1C(=O)N1CCOC[C@@H]1CNC(=O)[C@H](C)C#N 1061850744 BCIHJXDQJSNFGD-SCZZXKLOSA-N 307.310 -0.505 30 20 DBED C#CCNC(=O)CC(=O)NCC1(NC(=O)CC(C)(C)O)CCC1 1062829260 GLKDYIRXQSVPPJ-UHFFFAOYSA-N 323.393 -0.558 30 20 DBED N#Cc1nc(=NC[C@H]2CCCN2C(=O)[C@H]2COCCO2)cc[nH]1 1063439524 GCIROHQSDHAREI-VXGBXAGGSA-N 317.349 -0.412 30 20 DBED C[C@H]1CN(C(=O)Cc2nc[nH]n2)C[C@H]1N=c1cc[nH]cc1C#N 1067145242 VGNDDGOBXSBHRF-GXFFZTMASA-N 311.349 -0.005 30 20 DBED C[C@@H](N=c1cc[nH]cc1C#N)[C@H]1CN(C(=O)CC(N)=O)CCO1 1068227998 SJKNFSGIBYSYJV-ZWNOBZJWSA-N 317.349 -0.722 30 20 DBED Cc1c[nH]c(C(=O)N2CC3(C[C@@H](NC(=O)[C@H](C)C#N)CO3)C2)n1 1069001884 AHIQYOQBQCISJC-MWLCHTKSSA-N 317.349 -0.023 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2cc(C)no2)C1 1069893586 GJGQZZFLUVYLOX-NEPJUHHUSA-N 300.322 -0.137 30 20 DBED C=C(C)CN[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@@H]1n1ccnn1 1070294479 WEGKMKDSEYVSFZ-OLZOCXBDSA-N 316.369 -0.362 30 20 DBED C=CCN[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1c1cn(C)cn1 1070546703 HJTZCJHZVVWXPA-SMDDNHRTSA-N 315.381 -0.068 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCCN(C(=O)CCCF)C1 1071099661 WXJYWUNVKXCQDE-GFCCVEGCSA-N 311.357 -0.017 30 20 DBED NC(=O)C1(C(=O)N2CCC[C@@H](NC(=O)C#CC3CC3)C2)CC1 1071215151 SHMVQOAPPYXCQK-GFCCVEGCSA-N 303.362 -0.228 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CN(C(=O)C(F)F)C[C@H]1C 1071425079 CTBDJQBLQQSAJT-BDAKNGLRSA-N 301.293 -0.646 30 20 DBED C#CCCN1C[C@H](NC(=O)Cn2ncn(C)c2=O)CC[C@@H]1C 1071626421 VTIZEECXDWRJMH-QWHCGFSZSA-N 305.382 -0.426 30 20 DBED C#CCOCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)c2nonc2C)C1 1072094009 NTNUUVMHKOKQEI-PWSUYJOCSA-N 320.349 -0.005 30 20 DBED C=CC(C)(C)C(=O)N[C@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1C 1072161935 SNKDFPIFFQLMOP-QWRGUYRKSA-N 306.370 -0.152 30 20 DBED C=CCO[C@H](C)C(=O)N1CCC(C)(NC(=O)CC(N)=O)CC1 1073108486 ZVIYLWZFTJNLPY-LLVKDONJSA-N 311.382 -0.050 30 20 DBED C#CCCN1CCCO[C@@H](CNC(=O)c2nccnc2N)C1 1073562142 LRANKSHSDLKWPA-LBPRGKRZSA-N 303.366 -0.097 30 20 DBED N#CCN1CCCO[C@@H](CNC(=O)[C@H]2CCCN(C(N)=O)C2)C1 1073687006 GZNCZJKLCFMHPX-STQMWFEESA-N 323.397 -0.492 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](NC(=O)CC(N)=O)[C@@H](C)C1 1073850158 XPSOLSKKVKPLCB-NWDGAFQWSA-N 309.366 -0.745 30 20 DBED C=CCOCCCC(=O)N[C@H]1CCN(C(=O)C(N)=O)C[C@@H]1C 1073856182 ZPCMWXOXYMMYRH-RYUDHWBXSA-N 311.382 -0.192 30 20 DBED CC#CCN1CCO[C@@H]2CCN(C(=O)C(C)(C)C(N)=O)C[C@@H]21 1074270690 IPTXWGDJFPZRPR-QWHCGFSZSA-N 307.394 -0.177 30 20 DBED C=C[C@@H](C)[C@@H](C)C(=O)N1CCC(O)(CNC(=O)C(N)=O)CC1 1074679653 CFYHSVJPOBGDAG-GHMZBOCLSA-N 311.382 -0.600 30 20 DBED C=CCOCC(=O)NCC[C@H](C)NC(=O)c1cn(C)c(=O)cn1 1075917956 PQGKFXGLERIMTR-NSHDSACASA-N 322.365 -0.393 30 20 DBED C[C@@H](CCNC(=O)c1cc(C#N)c[nH]1)NC(=O)[C@H]1CCNC1=O 1076074367 YKQLJEGGMVEDEE-ONGXEEELSA-N 317.349 -0.353 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)c2ccc(=O)n(C)c2)C1 1077288136 GIGJKPFABHXJTA-VXGBXAGGSA-N 311.769 -0.087 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H](C)CCNC(=O)c1cn(C)c(O)n1 1078210909 SALVONCZRYSSSM-WDEREUQCSA-N 322.365 -0.211 30 20 DBED CCN(C(=O)C#CC1CC1)C1CN(C(=O)Cn2ncnn2)C1 1079738993 BICVYZQGQCFXBQ-UHFFFAOYSA-N 302.338 -0.854 30 20 DBED CC(C)OCC(=O)NC[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1081321631 PBLVGKXPQIIDLR-ZIAGYGMSSA-N 308.378 -0.240 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)c2cnnn2C)C[C@H]1O 1081462949 HZTWKUGLWNSFQN-WCQYABFASA-N 319.365 -0.976 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@H](CNC(=O)CCN(C)C)C1 1081731310 ZMXSKURRACPVRL-CHWSQXEVSA-N 313.398 -0.924 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@H]2CCCN(C(C)=O)C2)[C@H](OC)C1 1081914684 YTDMGMQPERUQGW-RRFJBIMHSA-N 307.394 -0.307 30 20 DBED CNC(=O)NCCC(=O)N1CCCC[C@H]1CNC(=O)[C@@H](C)C#N 1082053261 FBYXYZOYNZGQGA-RYUDHWBXSA-N 323.397 -0.038 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)Cc1ccnn1C 1083064387 HTRQNNSSKZUDOH-LSDHHAIUSA-N 302.378 -0.103 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CCc1cnn(C)n1 1083195589 CWDYJSDOKKNVLY-LSDHHAIUSA-N 317.393 -0.317 30 20 DBED C=CCN1CC[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)[C@H]1CC 1087748214 VNSCFULMYKCKKW-QWHCGFSZSA-N 320.393 -0.147 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CN(c2nc(C)ccc2C#N)C[C@H]1O 1090360317 BWIHLXWUCZHVTB-CHWSQXEVSA-N 317.349 -0.937 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2cccc(C(N)=O)c2)[C@H](O)C1 1090364452 JLAZGRSKAIMLRH-HUUCEWRRSA-N 315.373 -0.026 30 20 DBED C#CCN1CC[C@@H](NC(=O)Cn2nnc3c2CCCC3)[C@@H](O)C1 1090573354 LXDUSUNFVOMDQB-HIFRSBDPSA-N 317.393 -0.659 30 20 DBED CCN(CC)CC(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@@H]1O 1091108424 CZRGKRDNWJTNNB-KGLIPLIRSA-N 317.393 -0.039 30 20 DBED CN(CCOCCN(C)c1ncccc1C#N)C(=O)C(N)=O 1091901117 MGZBCFADQVZMIF-UHFFFAOYSA-N 305.338 -0.650 30 20 DBED C[C@@H]1[C@@H](NC(=O)CNC(N)=O)CCN1c1ccc(C#N)nc1 1091923088 RSPKJKMRVXZYLK-SKDRFNHKSA-N 302.338 -0.295 30 20 DBED CC(C)OCC(=O)N[C@H]1CCN(c2cncc(C#N)n2)C[C@@H]1O 1092142632 KQPVHECDMOGNKG-STQMWFEESA-N 319.365 -0.171 30 20 DBED Cc1cc(C#N)nc(N2CCN(C(=O)CCNC(N)=O)CC2)n1 1093155813 QXTXYPKFTHVPNE-UHFFFAOYSA-N 317.353 -0.636 30 20 DBED CCNC(=O)CC(=O)N[C@H]1[C@@H]2CN(c3nccnc3C#N)C[C@@H]21 1093266038 NAGIDDUHWLHPIW-MSRIBSCDSA-N 314.349 -0.575 30 20 DBED N#Cc1ccc(NCCNC(=O)CN2CCCNC2=O)nn1 1094244662 DZLQHWFGPZVRHZ-UHFFFAOYSA-N 303.326 -0.708 30 20 DBED N#CCN1CCN(C(=O)C2[C@@H]3CCC[C@@H]23)[C@@H]2CS(=O)(=O)C[C@@H]21 1094620316 WTRYJXASPMHBIN-FVCCEPFGSA-N 323.418 -0.134 30 20 DBED C[C@@H]1OCCO[C@@H]1C(=O)NCCCN=c1cc[nH]c(C#N)n1 1094862359 CYDNEWPEYLGORM-GWCFXTLKSA-N 305.338 -0.508 30 20 DBED Cc1nn(CC(=O)N2C[C@H]3C[C@H](NCC#N)C[C@H]2C3)c(=O)n1C 1095047841 RVDWXMQMLKJOQQ-RWMBFGLXSA-N 318.381 -0.617 30 20 DBED CCNC(=O)CCC(=O)N[C@@H]1CCN(c2cncc(C#N)n2)C1 1096332835 NCOCNDIQZGPBMS-LLVKDONJSA-N 316.365 -0.041 30 20 DBED CCC(=O)N[C@@H](C)C(=O)N[C@H]1C[C@H](N=c2cc[nH]c(C#N)n2)C1 1097106925 FYDNJKFERATTMY-DCAQKATOSA-N 316.365 -0.256 30 20 DBED CCC[C@@H](NC(N)=O)C(=O)NC[C@H](C)N=c1cc[nH]c(C#N)n1 1097979640 CXOXILQDRPKOQL-VHSXEESVSA-N 319.369 -0.476 30 20 DBED C[C@@H](CNC(=O)COC1CCOCC1)N=c1cc[nH]c(C#N)n1 1098043037 UAVZKRGRECNKHC-NSHDSACASA-N 319.365 -0.118 30 20 DBED C[C@@H](CNC(=O)[C@@]1(C)CNC(=O)C1)Nc1nccnc1C#N 1098153374 QPTBFCOKHQXJCY-LKFCYVNXSA-N 302.338 -0.209 30 20 DBED C[C@H](CCNC(=O)c1cnnc(O)c1)N=c1cc[nH]c(C#N)n1 1099569339 HPRHLMDAUPQPLB-SECBINFHSA-N 313.321 -0.114 30 20 DBED COCC#CCN1C[C@H](NC(=O)C(N)=O)CC2(CCOCC2)C1 1099588929 LZYAEDYXFMLAIB-CYBMUJFWSA-N 323.393 -0.891 30 20 DBED C[C@H](CCNC(=O)[C@H]1CNC(=O)N1)Nc1nccnc1C#N 1099682608 MDWKXKHBMQMTEK-PSASIEDQSA-N 303.326 -0.664 30 20 DBED CC1(C)CC(C(=O)N[C@H]2CCN(CC(=O)NCC#N)C[C@H]2O)C1 1099802570 XSYUUKNLYFZADR-QWHCGFSZSA-N 322.409 -0.386 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)CCNC(=O)COC)[C@@H](O)C1 1099864425 RPHKMCRKFHILGX-STQMWFEESA-N 313.398 -0.733 30 20 DBED C=CCCCN1CC[C@H](NC(=O)c2c[nH]c(=O)cn2)[C@H](O)C1 1099970462 YAUOWWVBUXNRSN-WCQYABFASA-N 306.366 -0.099 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CCN(CC(=O)NCC#N)C[C@@H]2O)C1 1099993448 ASKDBLNXNFRUGQ-OLZOCXBDSA-N 320.393 -0.466 30 20 DBED C[C@H](NC(N)=O)C(=O)NC[C@@H]1CCCN1c1cncc(C#N)n1 1100825224 LOEJFFTUPBSSFU-ONGXEEELSA-N 317.353 -0.510 30 20 DBED N#Cc1nccc(N(CCNC(=O)Cn2ncnn2)C2CC2)n1 1101391276 TTYWVGRWJQWBKP-UHFFFAOYSA-N 313.325 -0.880 30 20 DBED CCNC(=O)CC(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(C#N)n1 1102546653 LBNUTPNXAZQHRR-RYUDHWBXSA-N 314.349 -0.336 30 20 DBED CN(C(=O)CNC(N)=O)[C@H]1CCN(c2ncccc2C#N)C1 1102668757 SYHBKKFQHMUXRB-NSHDSACASA-N 302.338 -0.341 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](C)[C@H](CCNCCCO)C1 1104097756 YRIFLNFJKPDMLY-ZIAGYGMSSA-N 309.410 -0.418 30 20 DBED C[C@@H](CNC(=O)Cn1nccn1)CNc1nccnc1C#N 1104110030 HCDJBBASEPGPFV-JTQLQIEISA-N 300.326 -0.196 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)[C@H]1CC(=O)N(C)C1 1104254996 TVTKGHXHBGTAKG-QWRGUYRKSA-N 316.365 -0.587 30 20 DBED C=CCNCc1cn(C2CN(C(=O)C3CN(C(C)=O)C3)C2)nn1 1105221551 NLPFQVKPRPFMCQ-UHFFFAOYSA-N 318.381 -0.585 30 20 DBED C=CC(C)(C)CC(=O)N1CC(n2cc(CNCC(N)=O)nn2)C1 1105249030 GOINUPSGYNJRQU-UHFFFAOYSA-N 320.397 -0.161 30 20 DBED CN(CCN(C)c1cnc(C#N)cn1)C(=O)[C@H]1CC[C@H]1C(N)=O 1105521058 ARMYIPMANDJXJB-NEPJUHHUSA-N 316.365 -0.246 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNc1nc(O)c2cnn(C)c2n1 1105774932 XLFZXPCRVARDHP-SFYZADRCSA-N 319.325 -0.882 30 20 DBED COC[C@@H](OC)C(=O)NC[C@@H](O)CNc1nc(C)cc(C#N)n1 1106088004 XIIRWOSENJUXAK-VXGBXAGGSA-N 323.353 -0.793 30 20 DBED Cc1nc(NC[C@@H](O)CNC(=O)CC(=O)N(C)C)ccc1C#N 1106133580 KNOSXZYQEARUNJ-GFCCVEGCSA-N 319.365 -0.371 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H](O)CNc1cnc(F)cn1 1106154506 JVQAFFVWYWCBFQ-NEPJUHHUSA-N 321.356 -0.398 30 20 DBED C[C@@H](CCN=c1cc[nH]cc1C#N)NC(=O)c1nnn(C)n1 1106524010 XKVRPMJGACUQGM-VIFPVBQESA-N 300.326 -0.481 30 20 DBED CN1CCO[C@H](C(=O)NC/C=C/CN=c2cc[nH]c(C#N)n2)C1 1107093071 BFIZEAPRZBOPEY-JDGPPOGSSA-N 316.365 -0.815 30 20 DBED C=CCNC(=O)CN1CCO[C@](C)(CNC(=O)c2cnon2)C1 1108291419 PWOMWJBSMRIPMD-CQSZACIVSA-N 323.353 -0.808 30 20 DBED C=CCN1CCO[C@](C)(CNC(=O)c2ccc(=O)n(C)n2)C1 1108381977 DZLLZIGUMWVWPS-OAHLLOKOSA-N 306.366 -0.213 30 20 DBED C[C@@H](C(=O)NC[C@]1(C)CN(CC#N)CCO1)N1CCOCC1 1108446921 NPYPDJWTOMVDKJ-DZGCQCFKSA-N 310.398 -0.562 30 20 DBED C[C@@H](CNc1nccnc1C#N)NC(=O)C[C@H]1CCC(=O)N1 1108448025 BQWRZRYYXTWQDY-VHSXEESVSA-N 302.338 -0.066 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)CCc3ncc[nH]3)CC2=O)C1 1108538798 OHTVDUHZIXFNOO-GFCCVEGCSA-N 315.377 -0.623 30 20 DBED Cc1nc(NC[C@H](C)NC(=O)[C@H]2CNC(=O)N2)ccc1C#N 1108669520 YEBOVGQSDBIOOW-GZMMTYOYSA-N 302.338 -0.140 30 20 DBED C[C@H](CN(C)c1cnc(C#N)cn1)NC(=O)CNC(=O)C1CC1 1108833232 DBQPCSLESFVQOZ-SNVBAGLBSA-N 316.365 -0.185 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1[C@H]2C[C@H]1N(c1cnc(F)cn1)C2 1109704235 OTXRTFMJRSSZPU-FEUHOPSXSA-N 317.324 -0.552 30 20 DBED C[C@H](NC(N)=O)C(=O)NCC1(N=c2cc[nH]cc2C#N)CC1 1110104519 AEMLZEWOEUHRDQ-VIFPVBQESA-N 302.338 -0.507 30 20 DBED C#CCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1nnnn1C 1110553234 CYYOBSLSZDNEKJ-UPJWGTAASA-N 318.381 -0.529 30 20 DBED CC[C@@H](OC)C(=O)NC[C@]1(O)CCN(c2ccnc(C#N)n2)C1 1111043315 CLHMBYLTLLLKGC-IAQYHMDHSA-N 319.365 -0.169 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CCN(c2ccnc(C#N)n2)[C@@H](C)C1 1112467860 UMMBOANMFZBIOI-CMPLNLGQSA-N 316.365 -0.042 30 20 DBED C=CCCn1cc(C(=O)N2CCN(CCOCCO)CC2)nn1 1113417496 JMHLAGOWWFSAOP-UHFFFAOYSA-N 323.397 -0.379 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)CCn3cccn3)[C@H]2C1 1113874029 SKDNEROSCYMOOE-VIKVFOODSA-N 317.393 -0.378 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3cc(C)n(C)n3)[C@H]2C1 1113947438 AAOJGJMKFZESQB-JYAVWHMHSA-N 315.377 -0.862 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)CCn3ccnn3)[C@H]2C1 1114187633 YRFMIRUMQLILHH-NHAGDIPZSA-N 303.366 -0.636 30 20 DBED CC(=O)NCCOCCN1C[C@H]2C(NC(=O)C#CC3CC3)[C@@H]2C1 1114255026 ATYRVCZVHPBTJT-HUUCEWRRSA-N 319.405 -0.401 30 20 DBED C=C(Cl)CN1C[C@H]2[C@H](NC(=O)CN(C)C(=O)COC)[C@H]2C1 1114365920 HNVZFOTYTMQHKO-YABSGUDNSA-N 315.801 -0.110 30 20 DBED CCn1nnc(C)c1C(=O)NC1[C@H]2CN(CC#CCOC)C[C@H]12 1114393456 URAFWIXPWGXHJQ-STQMWFEESA-N 317.393 -0.084 30 20 DBED N#Cc1nccnc1N1C[C@H]2C(CNC(=O)Cc3nc[nH]n3)[C@@H]2C1 1114571044 BUVPCHSYIBMWKE-QWRGUYRKSA-N 324.348 -0.493 30 20 DBED C=CCOCCN1C[C@@H]2C(NC(=O)c3cn(C)c(O)n3)[C@H]2C1 1114772205 NLCSGCGYRRMNIB-QWRGUYRKSA-N 306.366 -0.012 30 20 DBED N#CCNC(=O)CN1C[C@H]2C(NC(=O)C3(CF)CCC3)[C@@H]2C1 1114865046 OJNGWGUDYYBVJF-GHMZBOCLSA-N 308.357 -0.188 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3ccc(O)nc3)[C@H]2C1 1115192526 OMNNYAYDLSVBMT-JYAVWHMHSA-N 316.361 -0.251 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@H]1[C@@H]2CN(Cc3nc(O)n[nH]3)C[C@@H]21 1115333168 UEZLJUUJFRBPAH-UXCLJVHYSA-N 307.354 -0.352 30 20 DBED C=C(C)COCCNC(=O)C(=O)N1C[C@@H](CO)O[C@H](C)C1 1117605698 RUUKCHJBGCQEFS-NEPJUHHUSA-N 300.355 -0.697 30 20 DBED C#CC1CCN(C(=O)C(=O)N2CC[C@@H](S(C)(=O)=O)C2)CC1 1118186672 JENVIQUCXQFMDJ-GFCCVEGCSA-N 312.391 -0.496 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N1[C@H]2CC[C@H]1CC(=O)NC2 1119198806 IZCQSZWFXPIEQK-AGIUHOORSA-N 321.377 -0.590 30 20 DBED Cn1cccc1C(=O)NC[C@H](CO)Nc1cnc(C#N)cn1 1121068482 YTRVQDCTSFLQQR-LLVKDONJSA-N 300.322 -0.110 30 20 DBED CCN(CC)CC(=O)NC[C@H](CO)N=c1cc(C)[nH]cc1C#N 1121670055 QNGIEDWEVZIICO-CQSZACIVSA-N 319.409 -0.086 30 20 DBED C#CCOCCC(=O)NC[C@@H](CO)Nc1cc(COC)ncn1 1122026103 AVDIZJNYXSOPNI-ZDUSSCGKSA-N 322.365 -0.448 30 20 DBED N#Cc1nccnc1N[C@H](CO)CNC(=O)Cc1cncs1 1122153659 QQQRXNMRPLQTLR-VIFPVBQESA-N 318.362 -0.064 30 20 DBED Cc1cc(=N[C@@H](CO)CNC(=O)[C@@H]2[C@H]3COC[C@H]32)c(C#N)c[nH]1 1122371379 AJGGHOMCRRKRTE-CXTNEJHOSA-N 316.361 -0.535 30 20 DBED CN(C[C@@H](O)CNc1cnc(C#N)cn1)C(=O)c1cnccn1 1124045377 GPEOVGMOFXMDBO-NSHDSACASA-N 313.321 -0.317 30 20 DBED CN(C[C@@H](O)CNc1ccc(C#N)nc1)C(=O)c1cn(C)nn1 1124295662 IRAAQCWDWMQRNB-LBPRGKRZSA-N 315.337 -0.373 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)CN1CCCC1 1124352027 JNONWVMFKQHBSJ-LBPRGKRZSA-N 318.381 -0.903 30 20 DBED CC(C)n1nnnc1CNCCNC(=O)c1c[nH]c(C#N)c1 1125981999 OHTQGIREVNELDM-UHFFFAOYSA-N 302.342 -0.027 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)c1ccnn1CC 1126183836 BYUBEYWXGNWLLM-UHFFFAOYSA-N 322.369 -0.766 30 20 DBED C=CCCCN1C[C@H](n2ccnn2)[C@H](NC(=O)CC(N)=O)C1 1128860646 KGRGBLGOKKCASX-NEPJUHHUSA-N 306.370 -0.539 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)C2(F)CCOCC2)C1=O 1128981199 NSNDTXQIDLRPLH-GFCCVEGCSA-N 313.373 -0.002 30 20 DBED C[C@@H](CC(N)=O)C(=O)N1C[C@@H]2C[C@@H]3CN(CC#N)C[C@]2(C1)O3 1131251856 DUYRJTBWZVOWDM-UUIJZJDISA-N 306.366 -0.677 30 20 DBED C=CCN1C[C@H]2C[C@@H]3CN(C(=O)[C@H](C)CC(N)=O)C[C@@]3(C1)O2 1131252442 RWODPHUQPFNWFZ-BRXULGCHSA-N 307.394 -0.014 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1ccc2cncn2c1 1131375075 QKEIKHZOOIHWPI-LBPRGKRZSA-N 313.361 -0.208 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)[C@@H]1C[C@H](C)CO1 1131536996 SPMNAODCXAUYIL-STQMWFEESA-N 310.398 -0.121 30 20 DBED C=CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)CN1CCCC1=O 1133633160 OMMJIZGHOSGOGC-STQMWFEESA-N 324.425 -0.216 30 20 DBED Cc1ccnc(C(=O)N[C@@H](C)C[C@H](C)NCC(=O)NCC#N)n1 1134243572 CALNCQKBYXHXBT-RYUDHWBXSA-N 318.381 -0.089 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)Cc1ncc[nH]1 1135766484 VRLQNPUSOKHVKT-SNVBAGLBSA-N 322.369 -0.942 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)Cc1nonc1C 1146243948 DALOVAFQAMRKPR-UHFFFAOYSA-N 321.381 -0.173 30 20 DBED COCC#CCNCCNC(=O)c1cccn2c(O)nnc12 1147651228 XVKRMMNXTKAVLN-UHFFFAOYSA-N 303.322 -0.596 30 20 DBED C#CCOc1ncccc1C(=O)NCCN[C@H]1CCCNC1=O 1148302715 TYNVLQZGRMFHCG-ZDUSSCGKSA-N 316.361 -0.308 30 20 DBED COc1cc(C)ccc1C(=O)NCCNCC(=O)NCC#N 1148455601 CNFCBOHYXDKXAK-UHFFFAOYSA-N 304.350 -0.037 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CCN(C(C)=O)C1 1149324888 DNWNPYIYNRVLAM-WCQYABFASA-N 310.398 -0.749 30 20 DBED COCC#CCN1CCCO[C@H](CNC(=O)[C@@]23COC[C@@H]2C3)C1 1149733325 ASWSRNOTQVADBQ-UXLLHSPISA-N 322.405 -0.120 30 20 DBED C=CCN1CCCO[C@H](CNC(=O)Cn2c(O)nnc2O)C1 1150653981 TUQNTKABCLRYBT-SNVBAGLBSA-N 311.342 -0.918 30 20 DBED C=CCCN1CCCO[C@H](CNC(=O)CS(=O)(=O)NC)C1 1150731846 SDYOKXJTXWFNDZ-GFCCVEGCSA-N 319.427 -0.681 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CCc2c[nH]nc2C1 1151730761 WEHRCKZDTRNNOF-VXGBXAGGSA-N 317.393 -0.642 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)[C@H](C)n2cncn2)C1=O 1156798951 HIUBKNXTIPTEHC-QWHCGFSZSA-N 320.397 -0.278 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@@H]1CN2CCC1CC2 1158197190 SGIXJUJATKHNCV-CQSZACIVSA-N 306.410 -0.827 30 20 DBED C=CCNC(=O)CNCCCNC(=O)C1(F)CCOCC1 1159518172 SIDDIESLRXWUCI-UHFFFAOYSA-N 301.362 -0.097 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCCNCc1ncnn1CC 1160198090 QYYLOPBMUYKDCG-AWEZNQCLSA-N 318.425 -0.009 30 20 DBED CN1CCN(CC(=O)NCCC2(CNCC#N)CC2)CC1=O 1165878188 HFZRDAJSHBTTLC-UHFFFAOYSA-N 307.398 -0.840 30 20 DBED C#CCNC(=O)CNCC1(CCNC(=O)c2ccncn2)CC1 1167486463 FAEZZQYOQXGERO-UHFFFAOYSA-N 315.377 -0.284 30 20 DBED N#CCNC(=O)CNCCCNC(=O)[C@H]1CCC[C@@H](C(N)=O)C1 1167503649 BTFXDVKSOIOFJV-NEPJUHHUSA-N 323.397 -0.986 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)Cc1nonc1C 1169886694 CYQFCYYZWMBYAQ-NSHDSACASA-N 307.354 -0.846 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](NCCn2cccn2)[C@@H]1C 1178508605 LJYSBQCTVZWWBY-KBPBESRZSA-N 317.393 -0.398 30 20 DBED C#CCNC[C@]1(C)CN(C(=O)[C@H](C)NC(=O)COC)C[C@H]1C 1181565849 RKZSIMJOKMAHHY-DVOMOZLQSA-N 309.410 -0.155 30 20 DBED Cc1ccc(C(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)c(O)n1 1185904320 DYAKXHHHAOSAKG-LLVKDONJSA-N 317.349 -0.461 30 20 DBED COCC#CCN(C)[C@H]1CCN(C(=O)CCc2nc[nH]n2)C1 1189575415 UBOSBYLUFAKIBT-ZDUSSCGKSA-N 305.382 -0.080 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(CCCN2CCCC2=O)C[C@H]1O 1192804795 IXDSICYCWNABAS-HUUCEWRRSA-N 321.421 -0.180 30 20 DBED CN1CC[C@@H](C(=O)N2CC[C@@H](N(C)CC(=O)NCC#N)C2)C1 1194002796 ZIDOUBYWDTVCME-CHWSQXEVSA-N 307.398 -0.889 30 20 DBED C[C@@H](C#N)C(=O)N1CCCN(CCN(C)S(C)(=O)=O)CC1 1195314142 IKNMSUDDOTZGCB-LBPRGKRZSA-N 316.427 -0.428 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)COC2CCN(C)CC2)C1 1197320435 ZPDPVAFNWSKABL-HUUCEWRRSA-N 309.410 -0.718 30 20 DBED C=CCO[C@H](C)C(=O)N1CCCN([C@@H]2CCC(=O)NC2=O)CC1 1198343464 KTPDMNNTVJVSQV-CHWSQXEVSA-N 323.393 -0.083 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(NC[C@H](O)CN2CCCC2=O)CC1 1199827471 WHXFKRLTEKPNBL-JSGCOSHPSA-N 322.409 -0.290 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2)CCCO1 1200093786 ZXMFDPZFOLQZLO-ZIAGYGMSSA-N 323.393 -0.878 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CCN(C(=O)c2ncccn2)CC1 1203037149 HTQGDYYAMUKGIX-GFCCVEGCSA-N 315.377 -0.191 30 20 DBED N#CCN[C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1c1ccccc1F 1205544402 BMGJTILEHMCYKS-WCQYABFASA-N 319.340 -0.098 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2nnn(C)n2)C[C@H]1C 1206963667 KWNLNAPBWQWSPY-IJLUTSLNSA-N 306.370 -0.815 30 20 DBED COCC#CCN[C@@H]1CCCN(C(=O)C[C@H](C)NC(N)=O)C1 1208042499 SVPZTKOWHIUBOJ-QWHCGFSZSA-N 310.398 -0.336 30 20 DBED C#CCCCCC(=O)N[C@@H]1CN(CC(=O)NCC#C)C[C@H]1OC 1212146816 ZIKQTAYPSDJAMH-HUUCEWRRSA-N 319.405 -0.255 30 20 DBED C=CCCCC(=O)N[C@@H]1CN(Cc2nnn(C)n2)C[C@H]1OC 1213350114 HVNUHMBBVQYSMW-VXGBXAGGSA-N 308.386 -0.118 30 20 DBED C=CCOCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)C1=COCCO1 1217219929 VJQINEGIZWKALX-UONOGXRCSA-N 324.377 -0.011 30 20 DBED CC(C)CC(=O)NCCC(=O)N1CCO[C@@H]2CN(CC#N)C[C@@H]21 1219073161 DSRZBTPACMHRTN-UONOGXRCSA-N 322.409 -0.026 30 20 DBED CC(C)(C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@@H]1O)C(F)F 1220320582 DVLKLEGHYXDSQA-BDAKNGLRSA-N 318.324 -0.921 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)[C@@H](C)c2cccnc2)C1 1220779952 CIIDQGVCBKRZGI-IMJJTQAJSA-N 317.389 -0.004 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cnsn1 1225042763 OJUDSTZYTPSJCR-NXEZZACHSA-N 322.394 -0.192 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)CCn2ccnn2)CC1 1227041219 NNWMIVFZMPQQLN-UHFFFAOYSA-N 320.397 -0.449 30 20 DBED CN1CCCC[C@H]1C(=O)NC1CCN(CC(=O)NCC#N)CC1 1227996297 YHPMMISLAITROC-AWEZNQCLSA-N 321.425 -0.309 30 20 DBED COCC#CCN1CCC(NC(=O)[C@H]2CC[C@@H]2C(N)=O)CC1 1228589635 XDGDDNRUBNCAEC-KBPBESRZSA-N 307.394 -0.272 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)[C@H]2CCOC[C@H]2C)CC1 1229058254 ICBUJHGGLHWPTC-HIFRSBDPSA-N 321.421 -0.011 30 20 DBED C#CCN1CCS(=O)(=O)[C@H](CCNC(=O)c2ccnnc2)C1 1230503091 XMEPGTBVTYLUFH-CYBMUJFWSA-N 322.390 -0.671 30 20 DBED C=CCN1CCS(=O)(=O)[C@@H](CCNC(=O)c2cccnn2)C1 1230512987 ZSQYIRULNPQXEK-LBPRGKRZSA-N 324.406 -0.119 30 20 DBED C=CCN1CC[C@@H]1CN(C)C(=O)CN1CCCS1(=O)=O 1235051993 OHTZLSJEQCYORX-GFCCVEGCSA-N 301.412 -0.259 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)Cc1cncs1 1235651241 GWDFDXUHAKNPKJ-GFCCVEGCSA-N 320.418 -0.032 30 20 DBED C=CCn1c(-c2ncnn2C)nnc1N1CCS(=O)(=O)CC1 1262994725 QIDDDCGKMBDTNO-UHFFFAOYSA-N 323.382 -0.506 30 20 DBED C#CCNC(=O)CNC[C@@H]1CCCCN1C(=O)c1cncnc1 1274990766 VFHHCCQQCKGLMP-AWEZNQCLSA-N 315.377 -0.190 30 20 DBED N#CCN1CCOC[C@@H]1CNC(=O)CCCCc1cnn[nH]1 1280412262 JNYZTJLENLWLLZ-ZDUSSCGKSA-N 306.370 -0.142 30 20 DBED O=C(NCCN/C(O)=C1/N=CC=CC1=O)N[C@H](CCO)C1CC1 1318799639 NHKLLFDYBWRMPD-LYZGCBJASA-N 322.365 -0.027 30 20 DBED C=C(C)COCCNC(=O)C(=O)Nc1cnn(CC(N)=O)c1 1319172109 NRZRHVHPQFWWNK-UHFFFAOYSA-N 309.326 -0.984 30 20 DBED CC(=O)NCCCNC(=O)N(C)CCCc1[nH]nc(N)c1C#N 1319952982 SUFZOYOZUFLZDU-UHFFFAOYSA-N 321.385 -0.036 30 20 DBED CS(=O)(=O)c1ccc(NC(=O)C(=O)NCCCC#N)cn1 1320916528 ZHXLFBDZKLEORO-UHFFFAOYSA-N 310.335 -0.156 30 20 DBED CS(=O)(=O)c1cc(C(=O)NCC(=O)NCC#N)cs1 1322790175 RGXKVNMKGMMCQP-UHFFFAOYSA-N 301.349 -0.479 30 20 DBED C[C@H]1C(=O)N(C)CCN1C(=O)C(=O)NCC#Cc1ccccc1 1322988792 SPSSVRBJXYTLBZ-ZDUSSCGKSA-N 313.357 -0.157 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCC[C@H]1CC(=O)OCC 1323698667 KVLCESPDIMYROI-LBPRGKRZSA-N 310.350 -0.303 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N2C[C@H]3[C@H](C2)C3(F)F)CCN1C1CC1 1329455036 RYLTXTSEZILYMQ-WOPDTQHZSA-N 324.331 -0.091 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N1CC[C@H](CN(C)C)C1 1330875933 IBRXLGRMRPPJRP-KGLIPLIRSA-N 309.410 -0.059 30 20 DBED C=C(C)Cn1c([C@H]2CNC(=O)C2)nnc1N1CCNC(=O)C1 1341936398 JPNSZFUQXTUBIE-SNVBAGLBSA-N 304.354 -0.606 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)NCC(C)(C)OC 1343292186 DRNYRDQLDVSDBH-UHFFFAOYSA-N 306.384 -0.755 30 20 DBED C#CCN(C(=O)C(=O)Nc1ncn(CC(=O)OCC)n1)C1CC1 1349015527 FRDHGQPZBAFWIG-UHFFFAOYSA-N 319.321 -0.596 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N[C@@H](CC)CN1CCOCC1 1351435776 GGLYOGXUKYMDPT-STQMWFEESA-N 313.398 -0.469 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N[C@H](C)c1nnnn1C1CC1 1351771030 YDUQLAVBXCWPKQ-LLVKDONJSA-N 314.349 -0.330 30 20 DBED COC(=O)c1cccn(CC(=O)N2CCO[C@H](C#N)C2)c1=O 1361761191 LBVSOVZNGXYNPE-SNVBAGLBSA-N 305.290 -0.614 30 20 DBED CCC(CC)[C@@H](O)CNC(=O)Cn1cc(C#N)c(O)nc1=O 1362482556 SZPAODSVABGGKY-NSHDSACASA-N 308.338 -0.266 30 20 DBED CO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1NC(=O)CCc1nc[nH]n1 1384790250 JNYAAAVNUWEROM-HBNTYKKESA-N 320.353 -0.761 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(CCNC(=O)c2cn(C)cn2)CC1 1385559475 SHSZXPDRYPHUPU-LBPRGKRZSA-N 318.381 -0.546 30 20 DBED CCN(CCC#N)C(=O)CN[C@H]1C[C@H](NC(=O)c2cnn[nH]2)C1 1398534938 HYWLVWXOMVMBMH-XYPYZODXSA-N 319.369 -0.583 30 20 DBED C[C@H](CC(N)=O)C(=O)NCCN(C)C(=O)c1ccc(C#N)[nH]1 1408648931 ZOBPTMPTHVVIGW-SECBINFHSA-N 305.338 -0.414 30 20 DBED N#CCCn1ccc(NC(=O)N2CCC(O)(C(N)=O)CC2)n1 1414401247 FVWASHZZPMOMCW-UHFFFAOYSA-N 306.326 -0.359 30 20 DBED CCN(CCNC(=O)c1cc(C#N)c[nH]1)Cc1nc(O)n[nH]1 1418543801 ZETYRYAPWSKUJK-UHFFFAOYSA-N 303.326 -0.038 30 20 DBED COc1cncc(C(=O)N(C)C[C@H](O)CNC(=O)[C@@H](C)C#N)n1 1428189943 KFFWGIVRVKXBLB-VHSXEESVSA-N 321.337 -0.806 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCN(C(=O)CCCC(N)=O)C2)C1 1428604891 JVLDTEYYIGXDID-LLVKDONJSA-N 306.366 -0.137 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C)C(=O)CNC(=O)c1ccccn1 1431481889 PIQPDZOIOUWYDB-NSHDSACASA-N 317.349 -0.454 30 20 DBED CC[C@@H](CNC(=O)CS(=O)(=O)CC)NC(=O)[C@@H](C)C#N 1432711012 ITWJUTUZXSBFMW-UWVGGRQHSA-N 303.384 -0.408 30 20 DBED C[C@H](O)CN(CC(F)F)C(=O)Cn1cc(C#N)c(O)nc1=O 1433995650 UHRDZZZMPBMTBW-ZETCQYMHSA-N 316.264 -0.705 30 20 DBED C[C@@H]1C[C@H](CO)CN(C(=O)Cn2cc(C#N)c(O)nc2=O)C1 1434111246 RBBWWKIWKKDJAG-ZJUUUORDSA-N 306.322 -0.703 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(Cc2ccnc(N(C)C)c2)C1 1440037061 FHPQXTNRWQUREI-LBPRGKRZSA-N 317.393 -0.030 30 20 DBED C[C@H]1CCN(CCNC(=O)CCn2cc(C#N)c(O)nc2=O)C1 1444718083 KYIDJHKSAPBJDE-NSHDSACASA-N 319.365 -0.331 30 20 DBED C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)c1cn(C)nn1 1447858555 DZYPZGRHZBTQMM-QMMMGPOBSA-N 301.310 -0.437 30 20 DBED CCOc1cnc(C(=O)N2CC(NC(=O)[C@@H](C)C#N)C2)cn1 1456393159 IODOWJDTXUBTEC-VIFPVBQESA-N 303.322 -0.024 30 20 DBED N#Cc1ccc(C(=O)N2CC(CNC(=O)Cn3cccn3)C2)[nH]1 1456442583 KKNIFZURMGAGGC-UHFFFAOYSA-N 312.333 -0.029 30 20 DBED COc1ncc(NC(=O)N2CCO[C@@H](C(N)=O)C2)cc1C#N 1467269591 KBZHOWXUYMDIQV-SNVBAGLBSA-N 305.294 -0.320 30 20 DBED N#Cc1cc(C(=O)N2CCS(=O)(=O)C[C@H]2CC(=O)O)c[nH]1 1571111508 NBDIIFZDXZAIDC-SNVBAGLBSA-N 311.319 -0.400 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](CO)Nc1ncccc1-c1nn[nH]n1 1573577226 NSVWZBQCHNPVHF-IUCAKERBSA-N 316.325 -0.690 30 20 DBED C#Cc1ccc(Cn2nnnc2N2CCO[C@H](C(=O)O)C2)cc1 1588438783 BHBMWQNLVZLYEI-ZDUSSCGKSA-N 313.317 -0.008 30 20 DBED C#CCn1cc(CNS(=O)(=O)c2n[nH]c(C)c2C(=O)O)cn1 1588509879 RIQOLPMKNKILRR-UHFFFAOYSA-N 323.334 -0.275 30 20 DBED C[C@H](C(=O)O)N(C1CC1)S(=O)(=O)N1CCO[C@@H](C#N)C1 1588592626 CYQUUEUMAQPIBO-SCZZXKLOSA-N 303.340 -0.607 30 20 DBED COC[C@@]1(C(=O)O)CN(C(=O)c2ccc(C#N)n2C)CCO1 1593979585 CVSXPVYZOVLTKX-CQSZACIVSA-N 307.306 -0.161 30 20 DBED COc1cc(C(=O)N2CCNC(=O)[C@@H]2CC(=O)O)ccc1C#N 1599351268 JSJKSPWJWSRGEB-NSHDSACASA-N 317.301 -0.018 30 20 DBED Cn1ncc(C(=O)O)c1NC(=O)C(=O)N1CC[C@](C)(C#N)C1 1601022127 RMQSTLGQTNVQJC-CYBMUJFWSA-N 305.294 -0.181 30 20 DBED N#CC1(C(=O)O)CCN(C(=O)NC[C@H]2CCCNC2=O)CC1 1601052018 XKEZKDQESZHUSW-SNVBAGLBSA-N 308.338 -0.087 30 20 DBED N#Cc1ccccc1OC[C@H](O)CN1C[C@H](O)C[C@@H]1C(=O)O 1601126988 ZBZZQPZOZYYSSV-JHJVBQTASA-N 306.318 -0.182 30 20 DBED C#CCCCC(=O)N1C[C@@H](N2C(=O)CNC2=O)C[C@H]1C(=O)O 1602701765 VWBIBMQYJZQMNY-UWVGGRQHSA-N 307.306 -0.604 30 20 DBED C#CCN1CC(n2cc(CNC(=O)[C@H]3C[C@@H]3C(=O)O)nn2)C1 1602720669 BIIGNNFRSYHHER-RYUDHWBXSA-N 303.322 -0.895 30 20 DBED C#Cc1cncc(C(=O)N2CC(NC(=O)[C@H]3C[C@@H]3C(=O)O)C2)c1 1602742896 CLPLFVGLDZFAMW-STQMWFEESA-N 313.313 -0.276 30 20 DBED C[C@@H](C#N)CNC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)cn1 1602984570 YWTVLGXLYKCHKJ-ZETCQYMHSA-N 300.282 -0.524 30 20 DBED C[C@H](NC(=O)N1CC[C@@](O)(CC#N)C1)[C@@H]1CN(C)CCN1C 1649312390 OWEOBVGUIPMGHH-YDHLFZDLSA-N 309.414 -0.319 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CCCN(CCCN2C(=O)CNC2=O)C1 1713059386 KPLIAFIPGVWZEA-VXGBXAGGSA-N 321.381 -0.331 30 20 DBED C#CCNC(=O)CN[C@@H](CNC(=O)Cc1ccon1)C1CC1 1752449506 JDZYUSCHBAUQNY-ZDUSSCGKSA-N 304.350 -0.549 30 20 DBED C#CCNC(=O)CN[C@H](CNC(=O)CC1OCCCO1)C1CC1 1752458079 LLSLDJMSEQHXMK-CYBMUJFWSA-N 323.393 -0.627 30 20 DBED C=CCNC(=O)CN[C@H](C)CNC(=O)c1cc(CC)nn1C 1752907943 CBHOPHWMZDIDHA-LLVKDONJSA-N 307.398 -0.007 30 20 DBED CCCN(C(=O)c1cn(CC(N)=O)nn1)[C@H]1CCN(CC#N)C1 1753322261 GKOFRHBYIHZEPJ-NSHDSACASA-N 319.369 -0.787 30 20 DBED CC#CCN(C)C[C@@H]1CCN(C(=O)CCS(=O)(=O)NC)C1 1753349372 NSINOTQAJOOEBE-ZDUSSCGKSA-N 315.439 -0.271 30 20 DBED Cc1nc(C(=O)N2C[C@@H]3C[C@H]2CN3CC(=O)NCC#N)c(C)o1 1753425377 OJHAPYBRRGWYJA-RYUDHWBXSA-N 317.349 -0.170 30 20 DBED C#CCNC(=O)CNC[C@@H](C)CNC(=O)Cc1cncn1C 1753638276 RFVPCHVMJPULGO-GFCCVEGCSA-N 305.382 -0.946 30 20 DBED CC[C@@H]1OCC[C@H]1C(=O)N(C)CCN(C)CC(=O)NCC#N 1753860273 QKZNJCXFCICSTR-OLZOCXBDSA-N 310.398 -0.169 30 20 DBED C#CCNC(=O)[C@H](C)NC/C=C\CNC(=O)c1ccc(C#N)[nH]1 1754113384 XSLBKYNRDWJGCH-RXNFCKPNSA-N 313.361 -0.100 30 20 DBED O=C(C#CC1CC1)N[C@]1(CO)CCCN([C@H]2CCCNC2=O)C1 1754856844 SFRFKIGJWBRWOU-WMLDXEAASA-N 319.405 -0.379 30 20 DBED C=CCNCC1(NC(=O)CCNS(C)(=O)=O)CCOCC1 1755096417 VKDICIUSRQSVTO-UHFFFAOYSA-N 319.427 -0.633 30 20 DBED CCn1ccc(C(=O)N2C[C@@H](C)[C@@H](NCC(=O)NCC#N)C2)n1 1755116144 IORLUEJOIGMROG-YPMHNXCESA-N 318.381 -0.407 30 20 DBED CNC(=O)NC(=O)CN1CC([C@@H](C)NC(=O)C#CC2CC2)C1 1755372881 FEPRXOGIVDEMKN-SNVBAGLBSA-N 306.366 -0.708 30 20 DBED C=CCNC(=O)[C@H](C)NC[C@H]1C[C@H](NC(=O)CN(C)C(C)=O)C1 1755466134 ISJLQEWOMBPPDZ-UBHSHLNASA-N 324.425 -0.360 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H](CO)NCc1cnn(C)c1 1755630911 SYPAQJFMDXKYCG-CABCVRRESA-N 319.409 -0.916 30 20 DBED C=CCNC(=O)CN[C@H](CO)CNC(=O)[C@H]1Cc2ccccc21 1755637368 YUAQZMGDBGCBHY-ZFWWWQNUSA-N 317.389 -0.305 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2cn(C)c(O)n2)[C@@H]1C 1755659956 VUBSAGOWJJLEML-MNOVXSKESA-N 319.365 -0.932 30 20 DBED C=CCN(C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCc2nnn(C)c2C1 1755805575 XVGUYTOQGIRNEY-CHWSQXEVSA-N 321.425 -0.143 30 20 DBED CC(C)C#CC(=O)N[C@@H](C)[C@H](C)NC(=O)CN1CCNC(=O)C1 1755966484 HHKXJJDTCIZCQA-STQMWFEESA-N 322.409 -0.913 30 20 DBED C=CCOCC(=O)N[C@H](C)C1CN(C(=O)c2cc(=O)n(C)o2)C1 1756130311 NQSNETUWLMCHLM-SNVBAGLBSA-N 323.349 -0.242 30 20 DBED C#CCOCCC(=O)N(C)C[C@H](C)NC(=O)c1cn(C)nn1 1756453581 QTLZLJNQHTZHJP-NSHDSACASA-N 307.354 -0.568 30 20 DBED CCNC(=O)CC(=O)NC[C@H](O)CN(C)C(=O)C#CC(C)C 1756662719 MYRUZHAXDZSPJZ-LBPRGKRZSA-N 311.382 -0.893 30 20 DBED CN(C[C@H](O)CNC(=O)C#CC1CC1)C(=O)Cn1ccnc1 1756668950 MHRXSKYFSUDHNW-CYBMUJFWSA-N 304.350 -0.768 30 20 DBED C#CCOCCC(=O)NC1CC(N(C)C(=O)C(C)(C)C(N)=O)C1 1756741681 BBCJIDWOANGDOR-UHFFFAOYSA-N 323.393 -0.357 30 20 DBED CC#CCCCC(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2nc[nH]n2)C1 1757038753 WUGGZCDVEPCAPW-VXGBXAGGSA-N 319.365 -0.771 30 20 DBED C=CCC(=O)N1CC[C@@]2(C1)CN(C(=O)COCCO)CCO2 1783917038 CDFMXKDDJJAVPQ-OAHLLOKOSA-N 312.366 -0.599 30 20 DBED C=CCOCCCC(=O)N1CC2(CCCN2C(=O)C(O)O)C1 1841234377 WACSXTPSJSXQLG-UHFFFAOYSA-N 312.366 -0.517 30 20 DBED C=CCSCC(=O)N1CC2(CCCN2C(=O)C(O)O)C1 1841234476 HOHKDPSIDWRPOB-UHFFFAOYSA-N 300.380 -0.580 30 20 DBED CNC(=S)NCCC(=O)N1CC2(CCCN2C(=O)CC#N)C1 1842622378 HWAFABLFNUGBRW-UHFFFAOYSA-N 323.422 -0.413 30 20 DBED CC[C@@H](C)NC(=O)[C@@H](C)Nc1c(C#N)c(=O)n(C)c(=O)n1C 68321156 YPGLSHOYNJMBIG-RKDXNWHRSA-N 307.354 -0.329 30 20 DBED N#Cc1cc(S(=O)(=O)NCC2(CO)COC2)ccc1F 129084315 NZXHCNIBPCIJIL-UHFFFAOYSA-N 300.311 -0.015 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 191059994 YNGJZDLSUVNXIU-CQSZACIVSA-N 314.345 -0.089 30 20 DBED CNS(=O)(=O)CCNS(=O)(=O)c1ccc(C#N)c(C)c1 234375403 VKXYVLGIAXRYOZ-UHFFFAOYSA-N 317.392 -0.306 30 20 DBED C[C@@H]1CCCN(/C(=N\CC(=O)N(C)C)NCC(=O)N(C)C)C1 262254794 CPBFCWRFOQKNCR-GFCCVEGCSA-N 311.430 -0.160 30 20 DBED N#C[C@H]1COCCN1C(=O)CCNS(=O)(=O)c1cccnc1 267144569 HPFUDFIADOLTHC-NSHDSACASA-N 324.362 -0.499 30 20 DBED C=CCS(=O)(=O)CCNC(=O)[C@@H](CCCC)NC(N)=O 273041990 GHCCYCCPKPGHEX-SNVBAGLBSA-N 305.400 -0.070 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N1CCC[C@@H](S(C)(=O)=O)C1 274183786 PFKMEYZNEFHMJO-GHMZBOCLSA-N 317.411 -0.104 30 20 DBED C=CCN1CC[C@H](N2CCN(CC(=O)NC3CC3)CC2)C1=O 281869100 CAYVEKZQVWFRAJ-AWEZNQCLSA-N 306.410 -0.331 30 20 DBED C=CCS(=O)(=O)CCNS(=O)(=O)c1c(C)cnn1C 286610164 YJFWGHMISFTKSO-UHFFFAOYSA-N 307.397 -0.392 30 20 DBED O=S1(=O)CCN(C/C(O)=N/CCN2CC=CCC2)CC1 330077884 HSELVZQKUWMMKV-UHFFFAOYSA-N 301.412 -0.065 30 20 DBED COC(=O)CN1CCN(S(=O)(=O)N(C)C[C@H](C)C#N)CC1 330404108 VRWZPFHFEFTMJM-LLVKDONJSA-N 318.399 -0.887 30 20 DBED CN1C[C@@H](C(=O)N(CCC#N)CCN2CCOCC2)CC1=O 330507006 AOBNPWVXLMXFRJ-ZDUSSCGKSA-N 308.382 -0.461 30 20 DBED C/N=C(/O)NCC(=O)Nc1ccc(N2CCN(C)CC2)nc1 330545894 ZWOFWZUKAFNVSY-UHFFFAOYSA-N 306.370 -0.095 30 20 DBED C[C@@H](C#N)NC(=O)Cn1cc(Br)c(O)nc1=O 330746385 FSJDLJAMCUJWMG-YFKPBYRVSA-N 301.100 -0.260 30 20 DBED CNC(=O)CN1CCC(/N=C(/O)Nc2cc(C)n(C)n2)CC1 331256236 BJVSEXBSXGTPCG-UHFFFAOYSA-N 308.386 0.265 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N2C[C@H]3[C@H]4CC[C@@H](O4)[C@H]3C2)CCO1 337084991 CZECIMXGBBOGGJ-UJPOAAIJSA-N 313.379 -0.435 30 20 DBED CC(C)[C@H](C#N)NC(=O)CN1CCN(S(C)(=O)=O)CC1 343632084 RIGLOFDEISUGRI-NSHDSACASA-N 302.400 -0.772 30 20 DBED COC(=O)CCN1CC[C@H](NC(=O)N(C)C[C@@H](C)C#N)C1=O 347185334 CWAXEFKEVAODIM-QWRGUYRKSA-N 310.354 -0.049 30 20 DBED N#CCNC(=O)CNS(=O)(=O)N1CC[C@@H]2CCCC[C@H]2C1 352538040 DMJHXCPYOWZYHB-RYUDHWBXSA-N 314.411 -0.027 30 20 DBED CC#CCNC(=O)N(CC)CC(=O)N[C@H]1CCS(=O)(=O)C1 361544537 FGSZCYQODYRNPS-NSHDSACASA-N 315.395 -0.656 30 20 DBED C=CCSCCNC(=O)C(=O)NCCN1CCNCC1 419151090 NAIJWWMHWOLACL-UHFFFAOYSA-N 300.428 -0.957 30 20 DBED CN1C(=O)CC[C@H](NS(=O)(=O)CC(C)(C)CC#N)C1=O 425219555 HADOQGBXPPKYML-VIFPVBQESA-N 301.368 -0.007 30 20 DBED Cc1cc(C#N)c(=O)n(CC(=O)N2CCCC[C@H]2C(N)=O)c1 516969742 FBJZNEVDQRIYPO-LBPRGKRZSA-N 302.334 -0.105 30 20 DBED N#Cc1ccc(CNC(=O)CN2CC[C@@H](CO)[C@H](O)C2)cc1 521674813 PHXSCNQXIYYQMT-LSDHHAIUSA-N 303.362 -0.150 30 20 DBED N#Cc1ncn(CC(=O)N[C@@H]2CCN(CC(F)(F)F)C2)n1 532664817 KMLDGYFJWYEYSI-MRVPVSSYSA-N 302.260 -0.097 30 20 DBED CN1C(=O)CN(C(=O)CNC(=O)c2ccc(C#N)cc2)CC1=O 555555091 BWSBMNUIBFATIX-UHFFFAOYSA-N 314.301 -0.885 30 20 DBED C=C(C)[C@H]1OCC[C@H]1C(=O)NCCNS(=O)(=O)N(C)C 565146686 DNJIDHGSHWJUOZ-GHMZBOCLSA-N 305.400 -0.520 30 20 DBED Cc1c([C@H]2[C@H](C(=O)NCC#CCO)CC(=O)N2C)cnn1C 580328456 VBWDVRFVDSYFAQ-BXUZGUMPSA-N 304.350 -0.640 30 20 DBED N#Cc1ccc(S(=O)(=O)NC[C@@H](CC(=O)O)C(=O)O)o1 588316593 CVXZNTTZQLLTAK-ZCFIWIBFSA-N 302.264 -0.395 30 20 DBED N#CC[C@]1(O)CCN(C(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)C1 592851662 DSCKZBLFTPYOCT-OZVIIMIRSA-N 317.345 -0.185 30 20 DBED COCCN(CC#N)C(=O)CCn1cnc2c(N)ncnc21 597754420 CYWNSMXHKCIPDC-UHFFFAOYSA-N 303.326 -0.203 30 20 DBED C[C@@H](N)[C@H]1CCN(C(=O)C(=O)N2CCN(CCC#N)CC2)C1 601580170 BGIGCIIRJYECTA-OLZOCXBDSA-N 307.398 -0.760 30 20 DBED CO[C@@H]1CCC[C@H]1CNC(=O)C(=O)N1CCN(CCC#N)CC1 602245464 NKZLZNBDLBZGRH-UONOGXRCSA-N 322.409 -0.024 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccnn2CC)C1=O 621115469 AQCINYZHVPVTDI-UHFFFAOYSA-N 319.321 -0.504 30 20 DBED C#CCSCCNS(=O)(=O)N(CCOC)CCOC 739987329 LSRGWMCSKFLMMD-UHFFFAOYSA-N 310.441 -0.218 30 20 DBED N#CCCN(CCN1CCOCC1)C[C@H](O)CN1CCCC1 749117912 UCVUUMMUFRTNMO-MRXNPFEDSA-N 310.442 -0.009 30 20 DBED CNC(=O)[C@H](C#N)C(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 766615891 GHWVBPYLGFBWJJ-CMPLNLGQSA-N 300.318 -0.115 30 20 DBED CCN(CC)S(=O)(=O)N1CCN(C(=O)NCCC#N)CC1 787366289 NHCZDWTXILVZIF-UHFFFAOYSA-N 317.415 -0.186 30 20 DBED CCS(=O)(=O)NCC(=O)NCc1ccc(C(=O)NO)cc1 791271984 CYGFOQRRBKVUEB-UHFFFAOYSA-N 315.351 -0.639 30 20 DBED C#CCC[C@H](O)CNC(=O)NCCCN(C)S(=O)(=O)CC 798366288 QKPWGILWHMDYFY-LBPRGKRZSA-N 319.427 -0.269 30 20 DBED C#CCC[C@@H](O)CNC(=O)c1ccc(S(N)(=O)=O)s1 799073984 XXRUAFPSYAESIC-MRVPVSSYSA-N 302.377 -0.100 30 20 DBED C#CCC[C@H](O)CNC(=O)C(=O)Nc1cc(C(N)=O)ccc1F 799287657 RKXQBCLFYJQXPD-JTQLQIEISA-N 321.308 -0.246 30 20 DBED C#CCNC(=O)CNc1cccc(C(=O)NCC(=O)NC)c1 799975309 MYXVRWOVMKLVKG-UHFFFAOYSA-N 302.334 -0.676 30 20 DBED C#C[C@@H](NC(=O)C(=O)N(CC)CCOCCO)[C@H]1CCCO1 809310812 UTOXGOPMOXMPKD-CHWSQXEVSA-N 312.366 -0.859 30 20 DBED C[C@](C#N)(CC(=O)O)C(=O)N1CC[C@H](NS(C)(=O)=O)C1 819811470 PINHHZCSTQTSQD-GZMMTYOYSA-N 303.340 -0.859 30 20 DBED C#CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCC(=O)OC 841573922 GQKBQOZDCWRIGE-LLVKDONJSA-N 316.379 -0.517 30 20 DBED CS(=O)(=O)N1CC[C@@H](NC(=O)NCc2ccc(C#N)cn2)C1 845134127 YVRHJHZOULWRJZ-GFCCVEGCSA-N 323.378 -0.214 30 20 DBED C#CC[C@H](CCOC)NC(=O)C1=C(C)N(C)c2nnnn2C1 863780891 FPFVGCADTXBJNH-LLVKDONJSA-N 304.354 -0.059 30 20 DBED C#CCNS(=O)(=O)N1CCN(Cc2ccns2)CC1 878314794 VXMHAJKPBAXLTL-UHFFFAOYSA-N 300.409 -0.272 30 20 DBED COCCCNC(=O)[C@@H](C#N)C(=O)Cn1ccc([N+](=O)[O-])n1 917423624 XNIBIGAFLBDRLV-VIFPVBQESA-N 309.282 -0.347 30 20 DBED N#CCNC(=O)CNC(=O)NC[C@H]1CCCN1CC(F)(F)F 922468485 XWJAJUWNUSBDNH-SECBINFHSA-N 321.303 -0.048 30 20 DBED C#CCN1CCC[C@@H](NC(=O)CCC[C@]2(C)NC(=O)NC2=O)C1 923570373 JHRUKJAKTQQZLQ-WBMJQRKESA-N 320.393 -0.031 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@@H](NC(=O)[C@@H]3CCC(=O)N3)C2)c1 941883798 XFRDOKTYZMJNMV-MNOVXSKESA-N 315.333 -0.504 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CN2CCNC(=O)C2)C[C@@H]1C 947620426 NXELMQKREOWPTO-UONOGXRCSA-N 306.410 -0.589 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCCN(C(=O)CC(N)=O)C2)nn1 950258432 RLEFZEZZUCORNJ-JTQLQIEISA-N 320.353 -0.940 30 20 DBED C=CCn1cc(C(=O)N(C)C2CCN(C(=O)C(N)=O)CC2)nn1 953946898 JOXCQKDDLCSUDK-UHFFFAOYSA-N 320.353 -0.988 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H](NC(=O)C(N)=O)C[C@H]2C)nn1 955697100 XYFZMXIXTDIZFW-ZJUUUORDSA-N 320.353 -0.941 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)CC(N)=O 955935673 GXUCRJNFGFSRLL-TUAOUCFPSA-N 309.366 -0.440 30 20 DBED CC#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cn3c(n2)CCC3)C1 958081482 OZBRQJDNEGJXAW-GXTWGEPZSA-N 302.378 -0.125 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2cn3nccc3nc2C)C1 958556154 QHRVUSAMKKVFNQ-OCCSQVGLSA-N 313.361 -0.307 30 20 DBED N#Cc1cc(C(=O)NC2[C@@H]3CN(Cc4nc(O)n[nH]4)C[C@@H]23)c[nH]1 958618398 RWTBEXUSNPKPQE-NXEZZACHSA-N 313.321 -0.430 30 20 DBED C#Cc1ccc(C(=O)NC2[C@@H]3CN([C@H]4CCNC4=O)C[C@@H]23)cn1 962326234 MWLBJBFSMQCDMT-MCIONIFRSA-N 310.357 -0.389 30 20 DBED C[C@H]1C[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 962391710 PSZWKLGSUUTVQE-KNDHEWATSA-N 302.334 -0.156 30 20 DBED CC#CCN1C[C@@H]2C(NC(=O)C3CCN(C(N)=O)CC3)[C@H]2C1 962501987 FCHSRQLZMIETRA-STQMWFEESA-N 304.394 -0.153 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(C1)CN(C(=O)[C@H]1CCN(C)C1)CCO2 965383618 YNZNTFUVNQZODL-STQMWFEESA-N 320.393 -0.462 30 20 DBED CN([C@H]1CCN(C(=O)C#CC2CC2)C1)[C@H]1CCC(=O)NC1=O 971507496 INQMQYKJLNEUEX-STQMWFEESA-N 303.362 -0.262 30 20 DBED Cc1nonc1CC(=O)N1CC[C@@]2(CN(CC#N)CCO2)C1 972617729 SHCLVARMROXEJZ-CQSZACIVSA-N 305.338 -0.253 30 20 DBED Cn1nnc(C(=O)N[C@H]2C[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)n1 973150045 NRSKZGMODHAYHV-KYZUINATSA-N 314.309 -0.899 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)c3c[nH]c(C(N)=O)c3)[C@H]2C1 976548253 OMOSVBMWLCHPNV-QAHWYCSRSA-N 315.333 -0.540 30 20 DBED N#CCN1C[C@H]2C(CNC(=O)c3nccnc3C(N)=O)[C@@H]2C1 979041172 AAPVOJVRCIIOQW-UWVGGRQHSA-N 300.322 -0.993 30 20 DBED C=C(C)CN(C)[C@H]1CCN(C(=O)Cn2nc(C)n(C)c2=O)C1 980296635 RVYMVQCDXFYJGJ-ZDUSSCGKSA-N 307.398 -0.001 30 20 DBED O=C(C#CC1CC1)N1CCCN(CCN2C(=O)CNC2=O)CC1 981125251 AATWSIQLFBJZGR-UHFFFAOYSA-N 318.377 -0.514 30 20 DBED N#CCN1CCCN(C(=O)Cc2ccc(C(N)=O)nc2)CC1 981446137 SULZNVWADVBTKE-UHFFFAOYSA-N 301.350 -0.219 30 20 DBED CC#CCN1CCCC2(C1)CN(C(=O)CN1CCNC(=O)C1)C2 981932764 DTMMCDBHUFNRSE-UHFFFAOYSA-N 318.421 -0.634 30 20 DBED CC[C@@H]1[C@@H](NC(=O)Cn2cnnc2O)CCN1C(=O)[C@H](C)C#N 984794932 RBWHNZKSSCAWLD-OUAUKWLOSA-N 320.353 -0.361 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](NC(=O)C(N)=O)[C@H]1CC 985376387 NSPMPMKCFOLOHE-KXNHARMFSA-N 309.366 -0.442 30 20 DBED CN1CCO[C@@H](C(=O)NC2CN(C(=O)c3cc(C#N)c[nH]3)C2)C1 990615984 FHJKCIXMFBIGAI-CYBMUJFWSA-N 317.349 -0.842 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CCN(C(=O)C(F)F)C[C@H]2O)c1 991377917 DTUWBOOVSHZVLK-PSASIEDQSA-N 312.276 -0.157 30 20 DBED COc1cncc(C(=O)NC2CN(C(=O)C#CC3CC3)C2)n1 991460062 QDPYVPNNPNUXHL-UHFFFAOYSA-N 300.318 -0.161 30 20 DBED C[C@@H]1[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)CCCN1CC#N 994210216 LQOXWYVOANEJES-NXEZZACHSA-N 315.337 -0.476 30 20 DBED C[C@@H](C#N)C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cn1cnnc1O 996121024 QDKBEEURFLLCNA-VLEAKVRGSA-N 318.337 -0.609 30 20 DBED CC#CCN1CCC([C@@H](C)NC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 997332375 ITBSNEUXQMUYGT-YPMHNXCESA-N 320.393 -0.176 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CCCNC2=O)C1 1000022497 PNSDRABQWQPUCX-UPJWGTAASA-N 321.377 -0.569 30 20 DBED Cn1cnc(C(=O)NCC2CN(C(=O)c3c[nH]c(C#N)c3)C2)n1 1001716193 JTFMBLGMTCPIBF-UHFFFAOYSA-N 313.321 -0.483 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CCC(NC(=O)C(N)=O)CC1 1004231088 KLKNUYHZAFEHMD-TUUUFIMRSA-N 323.393 -0.051 30 20 DBED C[C@]1(C(=O)N2CCN(C(=O)C#CC3CC3)CC2)CNC(=O)C1 1011111788 TVDZQBRDHPXTTJ-MRXNPFEDSA-N 303.362 -0.403 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1[C@H]2CN(C(=O)c3cnon3)C[C@H]12 1013816760 OTVJZIHEWCIAMN-WDCWCFNPSA-N 318.333 -0.153 30 20 DBED C=CCCN1CC[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C1 1014626237 FSDXRJAJFPPADW-GFCCVEGCSA-N 306.366 -0.686 30 20 DBED C=C(C)CN[C@H]1C[C@H](NC(=O)CN2CCS(=O)(=O)CC2)C1 1021042426 HRPORWLERKCLIZ-JOCQHMNTSA-N 315.439 -0.470 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C(F)F)C1 1022863064 AXJLLLJMTVGPDI-KYXWUPHJSA-N 304.293 -0.470 30 20 DBED CCc1n[nH]cc1C(=O)N[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1O 1024536351 YKDLPOMTYIISRH-GGZOMVNGSA-N 305.338 -0.567 30 20 DBED C=C[C@@](C)(CC)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnn[nH]2)C1 1024547938 KVVHDNSTDJQFTE-GYSYKLTISA-N 307.354 -0.292 30 20 DBED C#CCNC1CCC(NC(=O)CN2CCC(=O)NC2=O)CC1 1026588344 JADAUNGQIOEUDV-UHFFFAOYSA-N 306.366 -0.422 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NCC1CN(Cc2nnnn2C)C1 1031678777 VENGRDIDINUHOS-OLZOCXBDSA-N 320.397 -0.261 30 20 DBED O=C1CCC(=O)N1CCN1C[C@@H]2C[C@H]1CN2C(=O)C#CC1CC1 1032393844 PLLPUXGAKUKKSA-KBPBESRZSA-N 315.373 -0.166 30 20 DBED C=CCN1C[C@@H]2C[C@H]1CN2C(=O)CN1CCCCS1(=O)=O 1032522309 YFOSSLZSTOWCTM-STQMWFEESA-N 313.423 -0.117 30 20 DBED C=C(C)CN1CC[C@H](N(C)C(=O)[C@@H]2CCS(=O)(=O)N2)C1 1033671093 LZNDKHVJUJJRAL-RYUDHWBXSA-N 301.412 -0.213 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)c2cccn3nnnc23)C1 1035386669 HJTYKFMXCLGXJS-NSHDSACASA-N 300.322 -0.812 30 20 DBED C=C(C)CN[C@H]1CCN(C(=O)CN2CCNC(=O)C2)C[C@@H]1C 1036142342 KKWRKOQKYPDFKF-KBPBESRZSA-N 308.426 -0.179 30 20 DBED CC(C)C#CC(=O)NC[C@]1(O)CCN(C(=O)[C@H]2CCCN2C)C1 1039663364 DKAGNKPDPRWANW-RHSMWYFYSA-N 321.421 -0.180 30 20 DBED N#CCN1CCC[C@]2(CCN(C(=O)c3nnc(O)nc3O)C2)C1 1040282693 YMCSQURKHRQLOF-AWEZNQCLSA-N 318.337 -0.266 30 20 DBED CC(C)C#CC(=O)N1CC[C@@](O)(CNC(=O)c2cnn(C)n2)C1 1040302800 PZZJSKWSHZHUMX-OAHLLOKOSA-N 319.365 -0.832 30 20 DBED C[C@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)Cc2ccnn2C)C1 1040760103 FNTIXQBUFDIMQY-IAQYHMDHSA-N 319.365 -0.798 30 20 DBED Cc1cc(C(=O)N2CC[C@](O)(CNC(=O)[C@@H](C)C#N)C2)n(C)n1 1040763442 OSKKUUWBWKSQED-BONVTDFDSA-N 319.365 -0.419 30 20 DBED C#CCN1CC[C@]2(CCN(C(=O)CN3CCC(=O)NC3=O)C2)C1 1041775831 SQZLLOXLTSSJJC-INIZCTEOSA-N 318.377 -0.514 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(O)(CNC(=O)CC(F)(F)F)C1 1041828021 YIMCKEYYSDLMQW-LLVKDONJSA-N 324.299 -0.045 30 20 DBED C=CCOCCCC(=O)NCC1(O)CN(C(=O)c2cnn[nH]2)C1 1042313520 WAGDCLABPJNWOG-UHFFFAOYSA-N 323.353 -0.909 30 20 DBED CN(C(=O)c1ccc(C#N)[nH]1)C1CN(Cc2nc(=O)n(C)[nH]2)C1 1042625668 LHRPDRJKGHCNFJ-UHFFFAOYSA-N 315.337 -0.735 30 20 DBED Cc1ccc(N2C[C@H](O)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)nn1 1043892221 TZBVXNXAMYFRPQ-OLZOCXBDSA-N 312.333 -0.036 30 20 DBED C[C@@H]1C[C@@H](NCC#N)CCN1C(=O)c1cc(=O)n2[nH]cnc2n1 1044821235 UWEMUKRVCFEYEO-ZJUUUORDSA-N 315.337 -0.476 30 20 DBED N#Cc1cnc(N2CC[C@@H]3CCN(C(=O)CC(N)=O)C[C@@H]32)cn1 1044956970 POIBQYSZKXXMLA-JQWIXIFHSA-N 314.349 -0.349 30 20 DBED C=CCCCC(=O)NCC1(O)CN(C(=O)Cc2nnc(C)o2)C1 1045451099 KFSJUWPFGKFMQG-UHFFFAOYSA-N 322.365 -0.034 30 20 DBED C#CCN1[C@H]2CC[C@H]1CN(C(=O)C[C@@H]1CC(=O)NC1=O)CC2 1045903372 WWBYBKBCEAKDII-AVGNSLFASA-N 303.362 -0.262 30 20 DBED CN1CCC[C@H]1C(=O)N1CCN([C@H]2CCN(CC#N)C2)CC1 1046010982 YBANMQFNKZAVFS-GJZGRUSLSA-N 305.426 -0.177 30 20 DBED C=C[C@@](C)(O)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2ccon2)C1 1048378172 NVQLNDOUTOUCRV-SLEUVZQESA-N 323.349 -0.355 30 20 DBED COCC1(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)C#N)C2)CCC1 1049402806 YKRLAJKQDZAGIT-AGIUHOORSA-N 323.393 -0.007 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)CCc2cnc[nH]2)C[C@@H]1O 1049408565 SYMFGKUFEJBJCO-WXHSDQCUSA-N 319.365 -0.468 30 20 DBED C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H]1CC(=O)NC1=O 1049933819 NDPMVNARFPJKAX-FRRDWIJNSA-N 303.362 -0.262 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H]([C@H](C)NC(=O)CCOC)C1 1050492921 VTWSBQLGHMWADM-QWHCGFSZSA-N 323.393 -0.484 30 20 DBED CC#CCN1CCOC[C@@H]1CNC(=O)[C@@H]1CN(C(C)=O)CCO1 1051230980 MXJBCTLBEFDYPO-GJZGRUSLSA-N 323.393 -0.926 30 20 DBED C=CCN1CCN([C@H]2CCN(C(=O)CN3CCOCC3)C2)CC1 1052010783 GMKLQWFWYHNKNO-INIZCTEOSA-N 322.453 -0.277 30 20 DBED C[C@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@@H]1CNC(=O)C#CC1CC1 1053298626 ALWRYYXHULXQAO-AAEUAGOBSA-N 317.389 -0.124 30 20 DBED C#CCN1CC2(C1)CN(C(=O)C(=O)N1CCC[C@H](C)C1)CCO2 1053462005 YSDHSESGAVQFCW-AWEZNQCLSA-N 319.405 -0.209 30 20 DBED CC#CCN1CC2(CC[C@H](CNC(=O)[C@H]3COCCO3)O2)C1 1053578438 GNAJKXMFWVLBGO-ZIAGYGMSSA-N 308.378 -0.225 30 20 DBED C=CCN1CC2(C[C@@H](NC(=O)c3cc(=O)n(C)cn3)CO2)C1 1053836561 MGUZJDFDAWRQMO-LLVKDONJSA-N 304.350 -0.461 30 20 DBED COC(=O)NCC(=O)N1C[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2C1 1055203748 QFTRXNOJNIDXAK-GARJFASQSA-N 308.338 -0.581 30 20 DBED N#Cc1nccc(N2CCN(C(=O)[C@H]3COCCO3)CC2)n1 1055727883 MCUGWDPHJXCQJK-LLVKDONJSA-N 303.322 -0.588 30 20 DBED Cc1c(C(=O)N2CCN(c3ccc(C#N)nn3)CC2)nnn1C 1055758937 WXMQLDOVPHUZNW-UHFFFAOYSA-N 312.337 -0.252 30 20 DBED N#Cc1nccc(N2C[C@H]3C(NC(=O)[C@H]4COCCO4)[C@@H]3C2)n1 1056133447 AEPCODZTGDHKCK-GMTAPVOTSA-N 315.333 -0.686 30 20 DBED CN(c1ccnc(C#N)n1)[C@@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 1056910098 LAHCLFIKATWMJY-NXEZZACHSA-N 316.321 -0.506 30 20 DBED CN(c1cncc(C#N)n1)[C@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 1056997481 CETCOAWRFGWFIH-RYUDHWBXSA-N 314.349 -0.479 30 20 DBED CC(C)(C(N)=O)C(=O)N1CCCN(c2cncc(C#N)n2)CC1 1057189836 JLHBYRSVUPCVNX-UHFFFAOYSA-N 316.365 -0.102 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)c1c(C)ncn1C 1057196407 HFDWKMQXKHOIFZ-UHFFFAOYSA-N 324.381 -0.518 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)Cc1ccnn1C 1057454939 YHFLCALAKHVQDO-UHFFFAOYSA-N 320.393 -0.441 30 20 DBED C#CCOCCC(=O)N(CCO)CCNC(=O)c1ccco1 1057579967 VHGDXOZYYMTQAB-UHFFFAOYSA-N 308.334 -0.130 30 20 DBED Cc1cc(=N[C@H]2CCCN(C(=O)CC(N)=O)C2)c(C#N)c[nH]1 1057603166 FIPZHQSLYYSJCE-LBPRGKRZSA-N 301.350 -0.038 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)[C@H](C)c1ccnn1C 1057731193 QREXBROXAUNXEB-VXGBXAGGSA-N 321.381 -0.380 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)C12CCCN1CCC2 1058148607 ZBMDMDMRWSBHEU-ZDUSSCGKSA-N 322.409 -0.288 30 20 DBED Cn1ncc(C(=O)N[C@H]2CCN(c3nccnc3C#N)C2)c1N 1058343590 CNMAUJOLGVFJMC-VIFPVBQESA-N 312.337 -0.327 30 20 DBED CCO[C@@H](C(=O)NCCN(CCO)C(=O)[C@H](C)C#N)C1CC1 1058656895 MRWRQHYAFXYBKH-DGCLKSJQSA-N 311.382 -0.102 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)c1ccc(O)nc1 1058808218 BTZVRDPACXZTHI-JTQLQIEISA-N 306.322 -0.502 30 20 DBED Cc1cc(C#N)nc(NC[C@@H]2CCCN(C(=O)C(N)=O)C2)n1 1060079581 BZYKUMDHDODNBL-JTQLQIEISA-N 302.338 -0.208 30 20 DBED C=CCOCC(=O)N1CCOC[C@H]1CNC(=O)c1ncc[nH]1 1061558451 QUGBTGOCAXGFMJ-LLVKDONJSA-N 308.338 -0.431 30 20 DBED C#CCOCCC(=O)NC[C@@H]1COCCN1C(=O)C(F)F 1061581040 JXSSBESWLOFIKN-SNVBAGLBSA-N 304.293 -0.365 30 20 DBED C#CCCCC(=O)N1CCOC[C@@H]1CNC(=O)c1[nH]nnc1C 1061746733 XOTTWVRXCDRMNF-LBPRGKRZSA-N 319.365 -0.126 30 20 DBED C=CCOCC(=O)NC1(CNC(=O)[C@H](C)NC(C)=O)CCC1 1062461582 WJAHRENHBMSBRN-NSHDSACASA-N 311.382 -0.131 30 20 DBED Cn1cc(C(=O)N[C@H]2[C@H]3C[C@H]2N(c2ccnc(C#N)n2)C3)nn1 1064242998 YMHWZTHRPRERRC-PLMOITTCSA-N 310.321 -0.516 30 20 DBED C=CCCC(=O)N1CCO[C@H](CNC(=O)[C@@H]2CCC(=O)N2C)C1 1064959078 GNDOVQYTSROPAL-OLZOCXBDSA-N 323.393 -0.083 30 20 DBED C=C[C@](C)(CC)C(=O)NC[C@H]1CN(C(=O)CC(N)=O)CCO1 1064999549 YMKRBKQTFXRJRR-XHDPSFHLSA-N 311.382 -0.192 30 20 DBED CCn1cc(C(=O)N2CCO[C@H](CNC(=O)[C@@H](C)C#N)C2)nn1 1065559675 ALOLYIPDGLWDNW-WDEREUQCSA-N 320.353 -0.585 30 20 DBED C#CCCCC(=O)N[C@H]1CCCN(C(=O)[C@H]2CNC(=O)N2)CC1 1066100002 AHGGISQQVPHWNE-QWHCGFSZSA-N 320.393 -0.031 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H]1CCCN(C(=O)CC(N)=O)CC1 1066169887 NADBRKGHNMEMPQ-NEPJUHHUSA-N 309.366 -0.603 30 20 DBED N#Cc1nc(=NC[C@@H]2CN(C(=O)[C@H]3CCOC3)CCO2)cc[nH]1 1066598676 MPSJGYMBMCGCMI-NWDGAFQWSA-N 317.349 -0.554 30 20 DBED Cc1cc(C#N)nc(N2C[C@H]3C(CNC(=O)c4cnn[nH]4)[C@@H]3C2)n1 1068210260 ULYGRJIEPSFKBX-RYUDHWBXSA-N 324.348 -0.113 30 20 DBED C#CCOCCC(=O)N[C@H]1COC2(C1)CN(C(=O)[C@H](C)C#N)C2 1068868376 NGFVZRFHVYKZSK-CHWSQXEVSA-N 319.361 -0.328 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2n[nH]c(C)c2C)C1 1069903019 AISGGWGJDLPRJE-OLZOCXBDSA-N 313.365 -0.093 30 20 DBED CC(=O)N(C)CC(=O)NCC1(NC(=O)[C@H](C)C#N)CCOCC1 1070231072 MJCYYKZQQMFOQW-LLVKDONJSA-N 324.381 -0.594 30 20 DBED CC(=O)NCC(=O)NCC1(NC(=O)[C@H](C)C#N)CCOCC1 1070231133 NMFMFCLUHYICJQ-SNVBAGLBSA-N 310.354 -0.936 30 20 DBED C#CCN1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 1070425822 GNFYGQNNNBBATE-RTXFEEFZSA-N 315.377 -0.430 30 20 DBED C=CCOCC(=O)N1CCC[C@@H](NC(=O)c2cnn(C)c2N)C1 1070554600 YDBKFEKYOJOHMK-LLVKDONJSA-N 321.381 -0.074 30 20 DBED N#CCN1CCOC[C@@H]1c1n[nH]c(CNC(=O)c2cn[nH]c2)n1 1070580130 IMKZKWZPGBQSRZ-SNVBAGLBSA-N 316.325 -0.645 30 20 DBED C=CCN1C[C@H]2C[C@H]3CN(C(=O)c4nnn(C)n4)C[C@@]3(C1)O2 1070839032 FEOUHHYOFWRZCC-MISXGVKJSA-N 304.354 -0.689 30 20 DBED C#CCN1CC[C@@]2(C1)CN(C(=O)Cn1nccn1)C[C@H](C)O2 1071173531 JRASMGDAPDOTAP-DZGCQCFKSA-N 303.366 -0.397 30 20 DBED C=C(C)CN1C[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)CC[C@@H]1C 1071517654 JPXMKGKYZJQRFX-RYUDHWBXSA-N 320.397 -0.078 30 20 DBED C=CCOCC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2(NC(N)=O)CC2)C1 1071809308 SKXLIBDFBBNDHB-MNOVXSKESA-N 324.381 -0.647 30 20 DBED C#CCCCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)Cn2ncnn2)C1 1071929304 NXDOQFURQCCVGZ-OLZOCXBDSA-N 318.381 -0.170 30 20 DBED N#CCN1CCCO[C@H](CNC(=O)[C@@H]2CCCN(C(N)=O)C2)C1 1073687003 GZNCZJKLCFMHPX-CHWSQXEVSA-N 323.397 -0.492 30 20 DBED CC#CCN1CCO[C@@H]2CCN(C(=O)c3c[nH]c(=O)cn3)C[C@H]21 1074323917 GZNMORMTPJLFPB-ZIAGYGMSSA-N 316.361 -0.292 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CCN(C(=O)c2cccnn2)CC1 1074690887 UPAKBZOHXKXJEV-LLVKDONJSA-N 317.349 -0.280 30 20 DBED C#CCOCCC(=O)N[C@H]1CCN(C(=O)CC(=O)NC)[C@H](C)C1 1074990934 NIJWJAJOZPGXQB-OLZOCXBDSA-N 323.393 -0.342 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@H]1CCC(=O)N1 1075929653 CHNJWEWONYGKRE-LOWDOPEQSA-N 323.393 -0.133 30 20 DBED C=CCOCCCC(=O)NCC[C@H](C)NC(=O)Cn1cnnn1 1076033931 SOAYWAYHJXJZEE-LBPRGKRZSA-N 324.385 -0.333 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)c2cnc3c(c2)nnn3C)C1 1077407240 LKFBJPFOEJILCL-CHWSQXEVSA-N 316.365 -0.286 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)CN2CC(=O)N(C)C2=O)C1 1077994339 DAMQODJTWDGBEC-VXGBXAGGSA-N 324.381 -0.992 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)CN2CCc3sccc3C2)C1 1078222469 CJGKYKKJDMPGQL-CHWSQXEVSA-N 320.418 -0.209 30 20 DBED C[C@H](C#N)C(=O)N1CCCO[C@H](CNCc2nnnn2C)C1 1078360583 XXOUAFORHBVUBX-GHMZBOCLSA-N 307.358 -0.923 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(N(CC)C(=O)Cn2cnnn2)C1 1079288289 IUGYNVROIBNKOF-CQSZACIVSA-N 322.369 -0.941 30 20 DBED CCN(C(=O)CCNC(N)=O)C1CN(C(=O)C#CC2CC2)C1 1079750606 KUVKTPHDXKNWKO-UHFFFAOYSA-N 306.366 -0.483 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)[C@@H]2CCNC2=O)C1 1080216267 PCRNXZCTMUUHKT-WCQYABFASA-N 323.393 -0.227 30 20 DBED CC(C)C#CC(=O)NC1(CO)CCN(C(=O)c2cnon2)CC1 1080850119 ZHOHPKMRXDQCKZ-UHFFFAOYSA-N 320.349 -0.188 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)Cc2cncnc2)C1 1081447848 RXPUSOZECCLOMB-ZIAGYGMSSA-N 318.377 -0.079 30 20 DBED Cc1cc(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C#CC3CC3)C2)on1 1081468035 FFFAXZBZLQYQLR-QWHCGFSZSA-N 317.345 -0.054 30 20 DBED C=CCCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2nc[nH]n2)C1 1081653227 LLEOFRUXPGABDM-GHMZBOCLSA-N 307.354 -0.290 30 20 DBED C#CCN1C[C@@H](NC(=O)c2cn(C)c(C)cc2=O)[C@H](OC)C1 1081823538 QQCDWCQSMCCXBX-UKRRQHHQSA-N 303.362 -0.244 30 20 DBED C=CCN1C[C@@H](NC(=O)[C@@H]2CCc3nnnn3CC2)[C@H](OC)C1 1082154702 SOMNCJJXZDGFLD-JHJVBQTASA-N 320.397 -0.373 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CCCCN(C)C1=O 1083246895 PRQWWOKOPDAWJP-QLFBSQMISA-N 319.405 -0.210 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2n[nH]c3c(OC)cccc23)C1 1083494079 IVHMSCWCEJEARA-NEPJUHHUSA-N 314.345 -0.020 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)c2c[nH]c3ccncc3c2=O)C1 1083495560 FWNIJPLLCHHYGA-KGLIPLIRSA-N 314.345 -0.116 30 20 DBED Cn1cc(-c2ccoc2C(=O)N[C@@H]2CN(CC#N)C[C@@H]2O)cn1 1083723625 SGZTVVAUUJCOLL-OLZOCXBDSA-N 315.333 -0.021 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)c2cnn(CCN(C)C)c2)C1 1083851225 TVOPBEDWFOWMMK-CABCVRRESA-N 319.409 -0.757 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)Cc2ccc3c(c2)OCCO3)C1 1084030225 HLTVHBHGSKPWKL-OLZOCXBDSA-N 317.345 -0.315 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)c2cc(C(N)=O)ccn2)C1 1084132347 RGFRMFSCTKHSCJ-OLZOCXBDSA-N 304.350 -0.469 30 20 DBED C#CCN[C@H]1C[C@@H](CNC(=O)c2ccc(-n3cnnn3)cn2)C1 1086158176 VIIBUXPXGHSQBG-TXEJJXNPSA-N 311.349 -0.212 30 20 DBED C=CCN1CC[C@@H](NCc2cc(O)nc(CNC(C)=O)n2)C1=O 1087253291 FKNVJNYPKBWKDJ-GFCCVEGCSA-N 319.365 -0.305 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2nc3ncccn3n2)[C@H](O)C1 1090658317 WAPHVIGQLYDYSO-VXGBXAGGSA-N 314.349 -0.687 30 20 DBED COC[C@H](C)C(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1OC 1090868002 HFAYPUODJYPLSQ-CYZMBNFOSA-N 319.365 -0.049 30 20 DBED CC[C@H](OC)C(=O)N[C@@H]1CN(c2nc(C)cc(C#N)n2)C[C@@H]1O 1091088065 VVYSFHOXGMPRFE-AGIUHOORSA-N 319.365 -0.253 30 20 DBED C[C@@H]1[C@@H](NC(=O)C(C)(C)C(N)=O)CCN1c1ccc(C#N)nn1 1092022056 DIZWNQCQMIAOTN-KOLCDFICSA-N 316.365 -0.057 30 20 DBED N#Cc1nccnc1NCCNC(=O)C(=O)NCC(F)(F)F 1093810895 YZTIEMMWXLAZHI-UHFFFAOYSA-N 316.243 -0.445 30 20 DBED CCOc1cc(C(=O)NCCN=c2cc[nH]c(C#N)n2)on1 1093997491 WILPEMHGWGGMNW-UHFFFAOYSA-N 302.294 -0.001 30 20 DBED COCC(=O)N[C@H](C)C(=O)NCCNc1nc(C)cc(C#N)n1 1094185258 MWNQTSSSEXLAGY-SNVBAGLBSA-N 320.353 -0.664 30 20 DBED CC(=O)N(C)CC(=O)N[C@H]1CCCN(c2cnc(C#N)cn2)C1 1096166536 CJJNGHLZPKSAOB-LBPRGKRZSA-N 316.365 -0.088 30 20 DBED CC(=O)NCC(=O)N1CCCC[C@H]1CN=c1cc[nH]c(C#N)n1 1097469770 WCKAOJDPBZCGJQ-LBPRGKRZSA-N 316.365 -0.301 30 20 DBED C[C@@H](CNC(=O)[C@H]1CN(C)C(=O)N1)Nc1cncc(C#N)n1 1098213248 DTFCDAKNTBEFBB-WCBMZHEXSA-N 303.326 -0.712 30 20 DBED CCNC(=O)CN(CCO)C1CCN(C(=O)C#CC2CC2)CC1 1098365407 UOSJVVLIEXPOGJ-UHFFFAOYSA-N 321.421 -0.179 30 20 DBED C#CCNCc1cn([C@H]2CCN(C(=O)c3cnsn3)C2)nn1 1098626449 RGVFGXAINZUFAQ-NSHDSACASA-N 317.378 -0.060 30 20 DBED C#CCNCc1cn([C@H]2CCN(C(=O)c3csnn3)C2)nn1 1098694622 FYYKRKFIWYTEKR-NSHDSACASA-N 317.378 -0.060 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@@H](C)Nc1cnc(C#N)cn1 1098983412 GXZMHOHAEHFNKJ-LLVKDONJSA-N 314.349 -0.206 30 20 DBED CCN(CCC#N)C(=O)CN1CC[C@H](NC(=O)C2CC2)[C@@H](O)C1 1099607066 HRJSBIAYBISJES-KBPBESRZSA-N 322.409 -0.290 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)CNC(=O)CC)[C@@H](O)C1 1099740715 IPAWJAAUYYSSIV-OLZOCXBDSA-N 313.398 -0.733 30 20 DBED C#CCCN1CC[C@H](NC(=O)CCc2ccncn2)[C@H](O)C1 1099856015 QMGLIXBKYMSODJ-LSDHHAIUSA-N 302.378 -0.016 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)c2cc(F)c[nH]2)[C@@H](O)C1 1099921017 IUNXILWFRUIOFA-AAEUAGOBSA-N 324.356 -0.379 30 20 DBED CN(CCNC(=O)C#CC1CC1)c1ncc([N+](=O)[O-])c(N)n1 1100061257 UNFODYHCVXQHBM-UHFFFAOYSA-N 304.310 -0.067 30 20 DBED CN1CC[C@@H](CC(=O)NCCN(C)c2cncc(C#N)n2)C1=O 1100194793 NTJWYJRSSCYFIK-NSHDSACASA-N 316.365 -0.231 30 20 DBED CN(CC(=O)NCC1CC(NCC(=O)NCC#N)C1)C1CCC1 1100411003 ZJTJOFUHFGSBDY-UHFFFAOYSA-N 321.425 -0.405 30 20 DBED CNC(=O)CC(=O)NC[C@H]1CCCN1c1ccnc(C#N)n1 1100815775 HVPYTJFFTXATRB-SNVBAGLBSA-N 302.338 -0.431 30 20 DBED CNC(=O)NCC(=O)NC[C@H]1CCN(c2ccc(C#N)nn2)C1 1101066247 PZYZMRBMCMYCFE-SNVBAGLBSA-N 317.353 -0.780 30 20 DBED CN(CCNc1ccc(C#N)nn1)C(=O)C[C@@H]1CCC(=O)N1 1101678141 HLMKDHRDSUTFAJ-JTQLQIEISA-N 302.338 -0.113 30 20 DBED CN(CCN=c1cc[nH]cc1C#N)C(=O)C(=O)NCC1CC1 1101738803 DZNBWZAVIJGHME-UHFFFAOYSA-N 301.350 -0.228 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H]1CN(CC(=O)NC2CC2)C[C@H]1C 1101964148 DUUHAULWBRTXFU-MGPQQGTHSA-N 321.421 -0.013 30 20 DBED COC[C@@H](OC)C(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1C#N 1102571538 YWDULQSEQJSDDV-GMXVVIOVSA-N 317.349 -0.201 30 20 DBED CC(=O)N[C@@H](C)C(=O)N(C)[C@@H]1CCN(c2ccc(C#N)nn2)C1 1102668803 UIGWFPNBJNEIMW-GXFFZTMASA-N 316.365 -0.090 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](C)[C@H](CCNC(=O)CC(N)=O)C1 1102815125 QTSRYEGIRQQJSO-FRRDWIJNSA-N 322.409 -0.926 30 20 DBED C[C@@H]1CN(C(=O)c2ncc[nH]2)C[C@H]1CCNCC(=O)NCC#N 1104164879 IYXPTARRNHOOSH-VXGBXAGGSA-N 318.381 -0.263 30 20 DBED C=CCCNCc1cn(C2CN(C(=O)CC(=O)NC)C2)nn1 1105221412 LUYIHWVVZPPBJR-UHFFFAOYSA-N 306.370 -0.537 30 20 DBED C[C@@H](CC(=O)N(C)CCN(C)c1cnc(C#N)cn1)NC(N)=O 1105473395 XVLPTPHOGGYKJB-JTQLQIEISA-N 319.369 -0.310 30 20 DBED C[C@H](CC(N)=O)C(=O)N(C)CCN(C)c1ccc(C#N)nn1 1105521122 BSOKVKCUGHYWFM-SNVBAGLBSA-N 304.354 -0.246 30 20 DBED COC[C@@H](C)C(=O)NC[C@H](O)CNc1nc(C)cc(C#N)n1 1105747182 XROOHQFCSZBSHY-SKDRFNHKSA-N 307.354 -0.172 30 20 DBED CCc1cc(C(=O)NC[C@H](O)CNc2cnc(C#N)cn2)n[nH]1 1105777525 ATDZMASULONYQF-LLVKDONJSA-N 315.337 -0.163 30 20 DBED N#Cc1cnc(NC[C@H](O)CNC(=O)C2CCC(O)CC2)cn1 1105803493 DUCGYOKOCJCLID-GDKBPFBDSA-N 319.365 -0.212 30 20 DBED N#Cc1nc(=NC[C@H](O)CNC(=O)CCc2ncc[nH]2)cc[nH]1 1105804565 VQOZCJAIVQYQKL-JTQLQIEISA-N 315.337 -0.985 30 20 DBED CO[C@H](C(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1)C1CC1 1105834021 VCYPEBJQCVIOEG-GWCFXTLKSA-N 305.338 -0.916 30 20 DBED Cc1cc(C#N)nc(NC[C@H](O)CNC(=O)[C@]2(C)CCOC2)n1 1105938939 GYLWLDXIUGOKHY-IUODEOHRSA-N 319.365 -0.028 30 20 DBED N#Cc1cccnc1NC[C@@H](O)CNC(=O)C(=O)NCC1CC1 1105953651 DKSSLJGOMGGGQE-GFCCVEGCSA-N 317.349 -0.632 30 20 DBED C[C@@H]1CN(C(=O)C[C@@H]2CCOC2)C[C@H]1CNCC(=O)NCC#N 1105968151 CZLOMUBCGSEIJT-HZSPNIEDSA-N 322.409 -0.263 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)[C@@H]2CCCCO2)C[C@H]1C 1106012414 JUNGVPKNSNOWDS-KFWWJZLASA-N 321.421 -0.011 30 20 DBED C[C@@H](CCNc1ccc(C#N)cn1)NC(=O)Cn1cnnn1 1106195367 VNLPNCRWDORHJF-JTQLQIEISA-N 300.326 -0.053 30 20 DBED C#CCNC(=O)CN1CCO[C@](C)(CNC(=O)CSC)C1 1107718250 CUEMGWBCJJAHMA-CQSZACIVSA-N 313.423 -0.694 30 20 DBED C=C(C)CN1CCO[C@](C)(CNC(=O)CS(C)(=O)=O)C1 1107786338 VUNYRLPCHKFQGN-CYBMUJFWSA-N 304.412 -0.186 30 20 DBED C#CCCN1CCO[C@@](C)(CNC(=O)c2nnn(C)c2C)C1 1107837351 JKWFGVMWMLCHDW-HNNXBMFYSA-N 305.382 -0.032 30 20 DBED C[C@]1(CNC(=O)[C@H]2CC[C@@H](C(N)=O)C2)CN(CC#N)CCO1 1108217779 XRWQRWSJYJIENQ-XUJVJEKNSA-N 308.382 -0.381 30 20 DBED C[C@@](O)(CC(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1)C1CC1 1108537464 PEXCSTNPWSRLNC-BLLLJJGKSA-N 320.393 -0.538 30 20 DBED CCN1CCOC[C@@H]1C(=O)N[C@@H](C)CNc1nccnc1C#N 1108598548 VVWDHHLXXWGQPI-WCQYABFASA-N 318.381 -0.014 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cnon1)C2 1108781093 PMMVOTAOCSLPJU-SRVKXCTJSA-N 317.349 -0.598 30 20 DBED CN(CCCNc1nccnc1C#N)C(=O)[C@@H]1COC(=O)N1 1109424715 QXXQLLDEEMPBST-JTQLQIEISA-N 304.310 -0.283 30 20 DBED CC(C)(C(N)=O)C(=O)N[C@@H]1[C@H]2C[C@H]1N(c1cnc(C#N)cn1)C2 1109728306 MEFDPAZNYFONTA-MKPLZMMCSA-N 314.349 -0.447 30 20 DBED CN1CCO[C@@H](C(=O)NCC2(Nc3ccc(C#N)nn3)CC2)C1 1110090401 BFXBPCLICQGSEM-GFCCVEGCSA-N 316.365 -0.260 30 20 DBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C1=COCCO1 1110258051 XKUONZGDWKCOFW-UPJWGTAASA-N 321.377 -0.102 30 20 DBED C#CCNC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1ncc[nH]1 1110530407 BEPZHWGRPCFSBD-LPWJVIDDSA-N 315.377 -0.117 30 20 DBED CO[C@H](C)CC(=O)NC[C@@]1(O)CCN(c2cncc(C#N)n2)C1 1111045305 HXAFZTMMXYFHGP-ABAIWWIYSA-N 319.365 -0.169 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1111176889 SRTVMMXOGSOFJT-DLOVCJGASA-N 300.322 -0.484 30 20 DBED N#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CC[C@H]1NC(=O)NC1=O 1111376218 AMHBQJXEBSNMJV-DBIOUOCHSA-N 305.338 -0.780 30 20 DBED CCNC(=O)CC(=O)N(CCO)CCNc1ccc(C#N)cn1 1111453721 SYOPQPMQPPOPET-UHFFFAOYSA-N 319.365 -0.288 30 20 DBED CNC(=O)NCC(=O)N1C[C@H](C)OC2(CCN(CC#N)CC2)C1 1111545469 HJKYRNUDTCDDLL-LBPRGKRZSA-N 323.397 -0.479 30 20 DBED C#CCCN[C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1C(F)(F)F 1112041069 HSUMCHFKWDMFNK-NXEZZACHSA-N 316.287 -0.325 30 20 DBED CC(=O)NCC(=O)N[C@H]1CCN(c2ccc(C#N)nn2)C[C@H]1C 1112387236 CKQRWSPVRYHIOH-MFKMUULPSA-N 316.365 -0.185 30 20 DBED CC(=O)N[C@H](C)C(=O)NC[C@@H](C)N(C)c1nccnc1C#N 1113508308 HUONONZHGVEZLP-NXEZZACHSA-N 304.354 -0.186 30 20 DBED C[C@@H](CNC(=O)C[C@H]1CCNC1=O)N(C)c1cnc(C#N)cn1 1113755418 CIIDEBVGOWVOEG-WDEREUQCSA-N 316.365 -0.185 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)c3ccncc3)[C@H]2C1 1113778134 XKPTWKYGPLOJIV-UBHSHLNASA-N 312.373 -0.121 30 20 DBED COC[C@H](OC)C(=O)NC[C@@H](C)N(C)c1ccnc(C#N)n1 1113858230 UAWSURLRWCWMMA-MNOVXSKESA-N 307.354 -0.049 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)c3cscn3)[C@@H]2C1 1114012712 JZKAFRZKZDRLDO-HBNTYKKESA-N 318.402 -0.059 30 20 DBED C#CCN1C[C@@H]2C(NC(=O)CNC(=O)c3ccoc3C)[C@H]2C1 1114316811 MGEYEHAQQFTCJC-STQMWFEESA-N 301.346 -0.003 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)c3c[nH]c(=O)cn3)[C@H]2C1 1114739835 WIKIQMRFCGPHJL-YABSGUDNSA-N 302.334 -0.920 30 20 DBED CS(=O)(=O)CC(=O)N[C@H]1C[C@H](CNc2ccc(C#N)nn2)C1 1114740685 YQQMYJPEVDJDBN-HOMQSWHASA-N 323.378 -0.300 30 20 DBED C[C@]1(CC(=O)NC2[C@H]3CN(CC#N)C[C@H]23)CCS(=O)(=O)N1 1115175912 FFDWPEIREOQUGN-OUJBWJOFSA-N 312.395 -0.972 30 20 DBED O=C(NCC#CCO)NCCN1C(=O)COc2ccccc21 1119684199 PZLNEDQXFYHSMN-UHFFFAOYSA-N 303.318 -0.293 30 20 DBED COCCOCC(=O)NC[C@H](CO)Nc1nc(C)cc(C#N)n1 1121212392 FWACQMHOSMYZNO-GFCCVEGCSA-N 323.353 -0.791 30 20 DBED C[C@H](C(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1)n1cccn1 1121213006 LKDWERFAINQJIL-GHMZBOCLSA-N 315.337 -0.883 30 20 DBED C[C@](O)(CC(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1)C1CC1 1121339704 MLTJGDJFNJKHFG-NHYWBVRUSA-N 319.365 -0.790 30 20 DBED CN(C[C@@H](O)CNc1ccc(C#N)cn1)C(=O)Cn1cncn1 1124346021 AUEXEVUMIJANNS-LBPRGKRZSA-N 315.337 -0.524 30 20 DBED CN(C[C@@H](O)CNc1ccc(C#N)nn1)C(=O)c1cnon1 1124466019 FPJSEVZELQYDPU-VIFPVBQESA-N 303.282 -0.724 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)CCc2ccn(C)n2)C1=O 1128469410 ROCBJMBSZAAWOX-AWEZNQCLSA-N 319.409 -0.155 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cc2n(n1)CCCC2 1130046373 JUABJFSMVFLETL-UHFFFAOYSA-N 303.366 -0.712 30 20 DBED N#CCNC(=O)CNCCNC(=O)[C@@H]1COc2ccccc2C1 1131050948 XNPWZZHIAPCLCS-ZDUSSCGKSA-N 316.361 -0.417 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)c1ccnc2[nH]nnc12 1131168419 DFUGWELTYHEICF-SECBINFHSA-N 317.353 -0.637 30 20 DBED C#CCNC[C@@H]1CN(C(=O)CN2CCNC(=O)C2)CC[C@@H]1C 1133031689 RPUOOCZKAFQBTA-UONOGXRCSA-N 306.410 -0.874 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CCCc2nc[nH]c21 1133667517 HAEOWQPAMYPEPY-NEPJUHHUSA-N 317.393 -0.327 30 20 DBED COCC#CCN[C@@H](C)C[C@H](C)NC(=O)C1CS(=O)(=O)C1 1134426933 IFVNIBVNLVTRQO-RYUDHWBXSA-N 316.423 -0.446 30 20 DBED C=CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)Cn1nccn1 1134461851 NXZZXLLKARHFNS-VXGBXAGGSA-N 308.386 -0.547 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1scnc1COC 1134998831 BZOHMICIOQGGSF-UHFFFAOYSA-N 310.379 -0.642 30 20 DBED N#CCNC(=O)CN1CCCO[C@@H](CNC(=O)C=C2CCC2)C1 1149560492 UEXVPHOOYTXRSC-AWEZNQCLSA-N 320.393 -0.056 30 20 DBED C=CCNC(=O)CNCCNC(=O)C(C)(C)CS(C)(=O)=O 1153065962 XRKRPAFQYYUNBA-UHFFFAOYSA-N 319.427 -0.935 30 20 DBED C=CCCOCC(=O)NCCN[C@H](C)C(=O)NC(=O)NCC 1153081136 MAOXPLXBKBSQFD-LLVKDONJSA-N 314.386 -0.481 30 20 DBED C=CCNC(=O)CN(CC)[C@H](C)CNC(=O)C[C@@H]1CCNC1=O 1153799696 WYGKQRJJTHJFJA-OLZOCXBDSA-N 324.425 -0.359 30 20 DBED C#CCOCCC(=O)NCCCNCc1nc(CCOC)no1 1157852631 DIMQDKLRJKAMHB-UHFFFAOYSA-N 324.381 -0.106 30 20 DBED COCC#CCNCC1(CCNC(=O)[C@H]2CCN(C)C2=O)CC1 1166716431 QJCQPPQEJMMWDE-CQSZACIVSA-N 321.421 -0.009 30 20 DBED C=CCNC(=O)CNCCCC[C@H](C)NC(=O)c1cnnn1C 1170523890 VAPFJFVRDPTCMJ-LBPRGKRZSA-N 322.413 -0.005 30 20 DBED C#CCNCCCC[C@H](C)NC(=O)CS(=O)(=O)N(C)C 1176383246 BTDVBVUSCYBHRJ-LBPRGKRZSA-N 303.428 -0.224 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@@H](C)C1CCOCC1 1177591342 MLLYNVQETNCBSD-ZDUSSCGKSA-N 309.410 -0.106 30 20 DBED COCC(=O)N(C)CC(=O)N1C[C@@H](C)[C@](C)(CNCC#N)C1 1181657680 AGUGRNIYTFBECD-IUODEOHRSA-N 310.398 -0.311 30 20 DBED C=CCC[C@@H](C)N[C@@H]1CCN(C(=O)CNC(=O)CNC(C)=O)C1 1183722360 RDZIBTTVOOBXEY-TZMCWYRMSA-N 324.425 -0.216 30 20 DBED N#CCNC(=O)CN1C[C@@H]2CCN(C(=O)C[C@@H]3CCOC3)[C@@H]2C1 1187408394 QGUGHILQPASTAZ-MELADBBJSA-N 320.393 -0.415 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)[C@H](C)NC(C)=O)C1 1188747231 NVLKFWZIJCGQTE-WCQYABFASA-N 310.398 -0.654 30 20 DBED C=CCOCC(=O)N1CC[C@@H](N(C)CCN2C(=O)CCC2=O)C1 1189370594 KUBZNCQXNFYWEP-CYBMUJFWSA-N 323.393 -0.129 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC[C@H](N(C)CCOCCO)C1 1189917493 HIAFGOPFLHQAEH-ZFWWWQNUSA-N 300.399 -0.145 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2cnnc(O)c2)C1 1190808240 GLIXSJVJURRNFZ-LBPRGKRZSA-N 319.365 -0.369 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C[C@H]2C=CCC2)C1 1190905455 VYYHTKBYRWMMHT-BFHYXJOUSA-N 307.394 -0.194 30 20 DBED Cc1ccnc(CN2C[C@@H](O)[C@H](NC(=O)CSCC#N)C2)n1 1191161741 JKRWBXWBOFVLGU-VXGBXAGGSA-N 321.406 -0.297 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)COC(C)C)C1 1191540048 PPHZNXVHEYEIQZ-JHJVBQTASA-N 313.398 -0.737 30 20 DBED C[C@@H](C(=O)NC1CC1)N1C[C@@H](O)[C@H](NC(=O)C#CC(C)(C)C)C1 1192813518 KLUBBQWREAANDH-IACUBPJLSA-N 321.421 -0.136 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(CCc2cnn(C)c2)C[C@H]1O 1192890738 BTTWAOCHUYDKLM-BPLDGKMQSA-N 320.393 -0.838 30 20 DBED C=CCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC(=O)N(CC)C2)C1 1193456035 KKNDLYWGAFHZHS-MGPQQGTHSA-N 309.410 -0.018 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H](CC2CCC2)NC(C)=O)C1 1195587699 NGHUWYUJPICMJA-BZUAXINKSA-N 321.421 -0.134 30 20 DBED C=CCC[C@H](C)N1C[C@@H](O)[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1 1196891676 COHMFYVIMNZHET-CYZMBNFOSA-N 323.393 -0.445 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)c2cnc(C)nc2C)C1 1197034106 GLFCYRMKCMSBHZ-HUUCEWRRSA-N 318.377 -0.482 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(Cc2nncs2)C[C@H]1O 1199307314 IAXGSQFCYAYBRT-GHMZBOCLSA-N 312.395 -0.208 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(CCn2cncn2)C[C@H]1O 1199318155 NIIOERHLNDVGQC-JHJVBQTASA-N 309.370 -0.970 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)C[C@@](C)(O)C2CC2)CC1 1200094508 DDJFPXYFOYYZSH-QGZVFWFLSA-N 321.421 -0.133 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)CC(=O)NCC)CC1 1200178374 HXHRJDWDGWSNNV-UHFFFAOYSA-N 310.398 -0.605 30 20 DBED COc1cc(C(=O)N2CCCO[C@H](CNCC#N)C2)nn1C 1200931605 YDWGWHSGRFQKCA-LLVKDONJSA-N 307.354 -0.227 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H]2CC[C@H]1[C@@H](NCCCO)C2 1204224678 BIWGZKGQUHILLV-IHRRRGAJSA-N 307.394 -0.523 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2cc(C)on2)[C@H](C)C1 1205878572 VTSXDSLWODJWHL-ZWNOBZJWSA-N 304.350 -0.217 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(Cc2nc(O)n[nH]2)C[C@H]1C 1206915568 DBTTYYLKPSYGRA-GPCCPHFNSA-N 309.370 -0.226 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)C(C)(C)C(N)=O)C1 1208369068 LNWICACWYUQEJJ-NSHDSACASA-N 310.398 -0.619 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)CCCN(C)C 1208434832 DKQGUBMIOIZNGU-CHWSQXEVSA-N 309.414 -0.596 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCCN(C(=O)c2[nH]nnc2C)C1 1208910288 PEBNXBFUNTVMAN-RYUDHWBXSA-N 318.381 -0.555 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCCN(C(=O)c2ncccn2)C1 1210263440 CHWVRRYYEMFDOK-STQMWFEESA-N 315.377 -0.191 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(Cc2ncnn2C)C[C@H]1OC 1212186968 DZDQKWCRNMDCOQ-CHWSQXEVSA-N 305.382 -0.066 30 20 DBED C#CCN1C[C@@H](NC(=O)COc2c(C)occc2=O)[C@H](OC)C1 1213156475 YDOCUMLNKWBJBV-TZMCWYRMSA-N 320.345 -0.224 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)Cn2cc(C)cn2)C[C@H]1C 1214238464 SFHBHRFWWISCMV-ZIAGYGMSSA-N 317.393 -0.623 30 20 DBED CC[C@H](C)OCC(=O)N1C[C@@H](NCC(=O)NCC#N)[C@H](C)C1 1214456630 MKZQOEQDLIBBCR-FRRDWIJNSA-N 310.398 -0.122 30 20 DBED Cn1ncc(CN2C[C@H](O)[C@H](NC(=O)C#CC(C)(C)C)C2)n1 1219596077 DNGAKOJGWFBQPQ-OLZOCXBDSA-N 305.382 -0.474 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2nc(C)c(C)o2)C[C@@H]1O 1219613189 ATIXEXXZHUVTJR-KGLIPLIRSA-N 321.377 -0.007 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)Cc2cnoc2)C1 1220207615 OQHBNWFDJXLTIT-RTXFEEFZSA-N 322.365 -0.931 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)CC(C)(F)F)C1 1220306738 GSSMCYJZOWKJRG-MXWKQRLJSA-N 319.352 -0.116 30 20 DBED CC(C)[C@@H](O)C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCC#N 1226027853 CTZDBRMVFMGKQO-YRGRVCCFSA-N 310.398 -0.340 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)c2cncnc2)CC1 1226985584 HZRMEDPVUJSYQE-UHFFFAOYSA-N 301.350 -0.580 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)[C@H](C)OCC#C)CC1 1227341969 GCFABRZPTZTWSQ-ZDUSSCGKSA-N 305.378 -0.645 30 20 DBED C#CCCCC(=O)NCC[C@@H]1CN(CC#N)CCS1(=O)=O 1230454793 DZDFNXBVAJYKPF-CYBMUJFWSA-N 311.407 -0.081 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@@H]1CN(C)C(=O)c1cnsn1 1230856590 XRESMUWEYDZEJM-GHMZBOCLSA-N 321.406 -0.178 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C[C@@H]1CCN1CC(=O)NCC=C 1234214953 GHNFQCWSLDTTET-KGLIPLIRSA-N 307.394 -0.140 30 20 DBED CN(CCCNC(=O)c1ccnc(F)c1)CC(=O)NCC#N 1235261205 QQEMMRJEKAQYRM-UHFFFAOYSA-N 307.329 -0.088 30 20 DBED C[C@H]1CN2CCN1C[C@@H]2C(=O)NCCNc1ccc(C#N)cn1 1263706762 MTRYCCKKGFQOJE-GXTWGEPZSA-N 314.393 -0.130 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)CCCC(=O)N(C)C)C1 1267732436 PVUVNQMNEXJDDA-ZDUSSCGKSA-N 322.409 -0.815 30 20 DBED CC(C)(C)C(=O)NCC(=O)NCCN/C(O)=C1/N=CC=CC1=O 1318694183 KSWYRCRTZFYEID-SEYXRHQNSA-N 322.365 -0.209 30 20 DBED C#CCCCNC(=O)C(=O)NC[C@@H]1CC[C@H](C(=O)N(C)C)O1 1324827366 VJTBTDHZTKHQLY-NWDGAFQWSA-N 309.366 -0.732 30 20 DBED C#C[C@@H](NC(=O)C(=O)NCCOCC(F)F)[C@H]1CCCO1 1327465694 NSSTZHWBIBXTIJ-NXEZZACHSA-N 304.293 -0.319 30 20 DBED Cc1cc(NC(=O)C(=O)NC[C@@]2(O)CCO[C@@H]2C)ncc1C#N 1327619425 PJVBSOHHEHFMHD-BMIGLBTASA-N 318.333 -0.144 30 20 DBED C=CCN(C(=O)C(=O)N1CCN(C(C)(C)C(N)=O)CC1)C1CC1 1328553388 KZQKYJUVCCYANA-UHFFFAOYSA-N 322.409 -0.429 30 20 DBED C[C@H](CN1CCOCC1)NC(=O)C(=O)N[C@@H]1CC[C@H](C#N)C1 1329197279 JCPVGCMJZIPSGH-FRRDWIJNSA-N 308.382 -0.368 30 20 DBED CC#CCN(C)C(=O)C(=O)N1CCN(CCC(=O)OC)C[C@@H]1C 1331214237 GVADWBKMPDTRFT-ZDUSSCGKSA-N 323.393 -0.436 30 20 DBED COC(=O)c1cnn(CC(=O)NS(=O)(=O)CCCC#N)c1 1331697700 ZWRLQIZUTNBDLB-UHFFFAOYSA-N 314.323 -0.581 30 20 DBED CC(C)(O)[C@H]1CCCN(C(=O)C(=O)N2CCO[C@@H](C#N)C2)C1 1335887788 PBVODTNSQFTYGK-RYUDHWBXSA-N 309.366 -0.253 30 20 DBED N#Cc1ccc(C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)o1 1341930190 NHASWWZLAQVRGC-JTQLQIEISA-N 321.314 -0.269 30 20 DBED CO[C@@H]1C[C@H](NC(=O)C(=O)N2CCO[C@@H](C#N)C2)C12CCC2 1345437153 LBLKXVJJMLGULQ-SDDRHHMPSA-N 307.350 -0.189 30 20 DBED N#C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H](OCCO)C2)C1 1352978897 RNUYALBENYEOOK-STQMWFEESA-N 309.366 -0.252 30 20 DBED C#CCNCC(=O)N1CCC(NS(=O)(=O)CCC)CC1 1357193708 JYDRMIFSFPXCTR-UHFFFAOYSA-N 301.412 -0.470 30 20 DBED COC(=O)[C@@H](NC(=O)Cn1cc(C#N)c(O)nc1=O)C(C)C 1361624246 ZYBYJBOIBMYMJT-JTQLQIEISA-N 308.294 -0.866 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N[C@H](C(N)=O)c1ccccn1 1363920638 PPCBMLAWCZNCBL-KOLCDFICSA-N 311.367 -0.466 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N[C@@H](CO)C[C@H]1CCCO1 1364933588 GXVMMBJTZYXAFM-IJLUTSLNSA-N 305.400 -0.015 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@@H](C)CNC(=O)c1cc(C(N)=O)ccn1 1369890210 LFINDQMSWHAWLM-UWVGGRQHSA-N 317.349 -0.083 30 20 DBED C=C(Cl)CN1CC(O)(CNC(=O)c2cccn3nnnc23)C1 1376171157 BGUWIHOUMKBCOR-UHFFFAOYSA-N 322.756 -0.347 30 20 DBED N#Cc1ccc(CNC[C@@H](O)CNC(=O)Cc2nc[nH]n2)cc1 1392427408 OXNBUOZBGLIYGM-CYBMUJFWSA-N 314.349 -0.514 30 20 DBED Cc1c(C(=O)N2CC[C@H](N(C)C(=O)[C@H](C)C#N)C2)nnn1C 1396776074 NCGMVAUGOOQVOI-KOLCDFICSA-N 304.354 -0.044 30 20 DBED C[C@H](C#N)C(=O)N(C)CCN(C)C(=O)[C@@H]1CCN(C)C(=O)C1 1399724943 GOQZVAYMPFBBCL-VXGBXAGGSA-N 308.382 -0.069 30 20 DBED CCN(C)C(=O)[C@@H](C)NC(=O)CCn1cc(C#N)c(O)nc1=O 1412091704 AWDUYFXFXLMDGN-SECBINFHSA-N 321.337 -0.806 30 20 DBED C=C(Cl)CNC[C@H](O)CN(C)C(=O)c1cccn2nnnc12 1423435522 ALSXWFWFRDXETM-JTQLQIEISA-N 324.772 -0.101 30 20 DBED CC[C@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)c1cnnn1C 1432636955 JEJREZUMAKYHTN-SNVBAGLBSA-N 315.337 -0.047 30 20 DBED CN1CCO[C@@H](C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)C1 1434273964 LWYPINXYPQPCOD-LLVKDONJSA-N 320.353 -0.613 30 20 DBED C[C@H](C#N)C(=O)NCC1CN(C(=O)[C@@H]2CCc3nncn3C2)C1 1450714386 QEACBHITXUWKLU-ZYHUDNBSSA-N 316.365 -0.425 30 20 DBED C[C@H](C#N)C(=O)N[C@H](CNC(=O)CN1CCCNC1=O)C1CC1 1454173239 LXUDKDYHVHNGNB-ZYHUDNBSSA-N 321.381 -0.428 30 20 DBED N#Cc1c[nH]c(=O)n(CC(=O)CCNC(=O)C(F)(F)F)c1=O 1459137836 OJTXYVZSSMTYPM-UHFFFAOYSA-N 318.211 -0.954 30 20 DBED C[C@H](CC(N)=O)C(=O)N1CC(CNC(=O)c2cc(C#N)c[nH]2)C1 1530727104 AKJNJFLYJNEWCF-SECBINFHSA-N 317.349 -0.414 30 20 DBED CC[C@H](CNC(=O)C(C)(C)S(C)(=O)=O)NC(=O)[C@@H](C)C#N 1531508203 RWYXHVUISPEFHL-VHSXEESVSA-N 317.411 -0.020 30 20 DBED COc1cc(C(=O)NC[C@]2(O)CCN(C(=O)[C@H](C)C#N)C2)on1 1537342544 KUJLODVTEZUNMJ-YMTOWFKASA-N 322.321 -0.464 30 20 DBED C=CCNC(=O)CN1CCC[C@@H](NC(=O)[C@H]2CCNC(=O)C2)C1 1566620105 GSSSPFNSCMLRCI-QWHCGFSZSA-N 322.409 -0.605 30 20 DBED COCC#CCN[C@H]1CCN(C(=O)CCc2cnn(C)n2)C1 1566773415 FMTINRZIPJYPBG-AWEZNQCLSA-N 305.382 -0.412 30 20 DBED C[C@H](C#N)C(=O)NC/C=C/CN=c1cc[nH]cc1-c1nn[nH]n1 1573581944 APSJKHPTCJKNGN-VMZHVLLKSA-N 312.337 -0.072 30 20 DBED N#Cc1cn(CCC(=O)N2CC3CC2(C(=O)O)C3)c(=O)nc1O 1574249466 WQQMAFNXSFQNJP-UHFFFAOYSA-N 318.289 -0.714 30 20 DBED CC[C@@H]1NCC[C@H]1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1577304051 IQUYFQAGRTUDJU-KZVDOYCCSA-N 311.407 -0.229 30 20 DBED C=CC[C@@H]1NC(=O)N([C@H]2CCCCN(CC(=O)O)C2=O)C1=O 1588457166 NSZQUIPMBYGSIB-UWVGGRQHSA-N 309.322 -0.051 30 20 DBED C=CC[C@H](CO)CNS(=O)(=O)c1ccc(-c2nn[nH]n2)cn1 1588546072 WMWYHEITARUJMC-VIFPVBQESA-N 324.366 -0.275 30 20 DBED C=CCOCC(=O)N1CCCN(C(=O)[C@@H]2C[C@H]2C(=O)O)CC1 1588849617 CEMACDAZKKPLJI-VXGBXAGGSA-N 310.350 -0.029 30 20 DBED CO[C@]1(C(=O)O)CCN(S(=O)(=O)c2ccc(C#N)cn2)C1 1599079226 QZCVBNUJRAGAIO-GFCCVEGCSA-N 311.319 -0.183 30 20 DBED O=C(NCCN/C(O)=C1/N=CC=CC1=O)N[C@H]1C[C@@H](C(=O)O)C1 1601503200 BWJFJRUPKYYIJN-DDZFDFRWSA-N 322.321 -0.325 30 20 DBED CC#CC[C@@H](NS(=O)(=O)c1ccc(C(=O)O)nc1)C(=O)O 1602946129 OXHGHRCEJBYJDA-SNVBAGLBSA-N 312.303 -0.075 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N[C@]2(C(=O)O)CCSC2)CCO1 1608179948 RAOHHZZORQSMDE-PSASIEDQSA-N 321.380 -0.995 30 20 DBED N#Cc1ccc(S(=O)(=O)N[C@@H]2COC(=O)C2)c(C(=O)O)c1 1608211567 AEHGDLNNCQWYMU-QMMMGPOBSA-N 310.287 -0.150 30 20 DBED COC[C@@]1(CO)CCN(S(=O)(=O)N(C)C[C@@H](C)C#N)C1 1645929042 WIFIZWVQAXNKQY-RYUDHWBXSA-N 305.400 -0.347 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2ncc(OC)cn2)C1 1661326921 BAYIEJRUEJVRJJ-NSHDSACASA-N 317.349 -0.961 30 20 DBED C#CCN[C@H]1C[C@H](NC(=O)CCc2c(C)nc(O)nc2O)C1 1752652363 KKZVUMHKWFZVHX-XYPYZODXSA-N 304.350 -0.001 30 20 DBED C=CCOCC(=O)N1CCC[C@H](CNCC(=O)NCC#N)C1 1752794288 IJKRDKHUSYUNCQ-CYBMUJFWSA-N 308.382 -0.343 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@@H](C)NCc1nnn(C)n1 1752902627 FOCWZYJQQYKEEE-ZYHUDNBSSA-N 323.401 -0.725 30 20 DBED N#CCNC(=O)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC1(F)F 1753422156 LEQKADHGTZKHQO-GARJFASQSA-N 312.320 -0.043 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2ccnn2C)C[C@@H]1C 1753770585 WJYPLWRAQFKQJR-STQMWFEESA-N 317.393 -0.390 30 20 DBED C#CCNC(=O)[C@H](C)NCC[C@H](C)NC(=O)c1cnn(C)c1C 1753950695 HDUOABHHDMJWSG-RYUDHWBXSA-N 319.409 -0.036 30 20 DBED CN1CCC(C(=O)N[C@@H](CNCC(=O)NCC#N)C2CC2)CC1 1754450199 IRZVJAVLZWSMKO-AWEZNQCLSA-N 321.425 -0.548 30 20 DBED CC(C)C#CC(=O)NCC1(NCCCN2C(=O)CNC2=O)CC1 1754514244 WNEKGERPKPZHTB-UHFFFAOYSA-N 320.393 -0.174 30 20 DBED C#CCNC(=O)[C@H](C)N1CC(N(C)C(=O)CC2(O)CCC2)C1 1754575061 NEWPUMIHVWVOOF-LBPRGKRZSA-N 307.394 -0.428 30 20 DBED CC#CCN[C@]1(CO)CCCN(C(=O)[C@H]2CCC(=O)N2C)C1 1755087762 HTAJLZABVAPIAP-CZUORRHYSA-N 307.394 -0.426 30 20 DBED CN(CC#N)C[C@@H]1CCCN1C(=O)CN(C)S(C)(=O)=O 1755194995 HCANJFWIYCFKNH-NSHDSACASA-N 302.400 -0.676 30 20 DBED C=CCn1cc(C(=O)N[C@H]2C[C@H](CNCC(=O)NC)C2)nn1 1755479307 INHKYVSYTANBFN-XYPYZODXSA-N 306.370 -0.692 30 20 DBED C=CC(C)(C)CC(=O)NC[C@H](CO)NCC(=O)NC(=O)NC 1755630002 ZLRLDHVOHCFGMI-SNVBAGLBSA-N 314.386 -0.889 30 20 DBED C=CCCN[C@H](CO)CNC(=O)Cc1nc2ncccn2n1 1755646280 MLQWIPTYFKLXLY-NSHDSACASA-N 304.354 -0.690 30 20 DBED CC#CCN1CCC[C@@H](NC(=O)CCS(=O)(=O)NC)[C@H]1C 1755717319 FTKTVJKFZCVIPH-CHWSQXEVSA-N 315.439 -0.082 30 20 DBED C#Cc1cncc(C(=O)N2CC(CCO)(NC(=O)COC)C2)c1 1756075917 VFIMCSBGIAWBIY-UHFFFAOYSA-N 317.345 -0.598 30 20 DBED C=CCCCC(=O)NC1(CCO)CN(C(=O)c2cn(C)nn2)C1 1756087907 SBJZKLZKSWKGMQ-UHFFFAOYSA-N 321.381 -0.135 30 20 DBED CC#CCCCC(=O)N[C@H](CO)CNC(=O)[C@@H]1CCCNC1=O 1756527504 HRFCHUJGCMUCMX-QWHCGFSZSA-N 323.393 -0.701 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C[C@H](O)CNC(=O)c1[nH]ccc1C 1756662436 GKKZBOKBTUIJBW-QWHCGFSZSA-N 321.377 -0.089 30 20 DBED CC#CCCCC(=O)N[C@@H]1CN(C(=O)[C@@H]2COCCO2)C[C@H]1O 1757025042 WDECUQGRAQLYOO-MCIONIFRSA-N 324.377 -0.717 30 20 DBED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(CO)o3)C2)C1 1779553468 OFKGZWKRRAZUDN-INIZCTEOSA-N 318.329 -0.151 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cnc(C)nc1)CCO2 1783048162 QRZRWFMSYCSEAF-INIZCTEOSA-N 314.345 -0.138 30 20 DBED C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CCCOC3)C2)C1 1785502343 BTYBKZOXBZICRL-XJKSGUPXSA-N 306.362 -0.124 30 20 DBED C=CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(C)=O)[C@H]2C1 1790848424 QLKHEHAUCTUPIF-IHRRRGAJSA-N 323.393 -0.322 30 20 DBED COCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)S 1800984336 QDIRDNPTEHGPOU-HNCHTBHHSA-N 316.423 -0.069 30 20 DBED C#CC(=O)N1CCC(N2CCC(NC(=O)C(C)=O)CC2)CC1 1834387158 OBGWYXOQGMLEPO-UHFFFAOYSA-N 305.378 -0.220 30 20 DBED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CN)C2)C1 1840167270 HMFOIBZDJCPGGC-INIZCTEOSA-N 323.393 -0.795 30 20 DBED C=CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)[C@@H](N)CN)C1 1843348204 RRXOHHGTLRRGCI-NEPJUHHUSA-N 310.398 -0.933 30 20 DBED C#CC(=O)N1CCCC12CN(C(=O)COc1ccc(O)nn1)C2 1845960271 MCCUNYZAPILPNS-UHFFFAOYSA-N 316.317 -0.602 30 20 DBED CCN(C[C@@H](C)C#N)C(=O)Cn1c(=O)c(C#N)cn(CC)c1=O 77233298 RLAFSKPVAWDXIS-NSHDSACASA-N 317.349 -0.090 30 20 DBED COCC(=O)N1CCN(CC(=O)N(CCC#N)CCC#N)CC1 108814091 ZLEWKPWTMWPHGE-UHFFFAOYSA-N 321.381 -0.567 30 20 DBED C#CC[C@H](NS(=O)(=O)c1cc(C(=O)NC)n(C)c1)C(=O)O 159576330 AHXJNOMKMIUCGM-VIFPVBQESA-N 313.335 -0.861 30 20 DBED C=CCS(=O)(=O)CCNC(=O)NCCCOCCOC 272837612 LHUQGXMLFHIQOZ-UHFFFAOYSA-N 308.400 -0.061 30 20 DBED C#C[C@@H](C)NC(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 286869424 BVKAYQCGMWWGBE-LLVKDONJSA-N 305.338 -0.115 30 20 DBED CCN1CCN([C@@H](C)C/N=C(/O)c2cn(C)c(=O)nc2O)CC1 329272493 IOMFZYHOJZUXQA-NSHDSACASA-N 323.397 -0.184 30 20 DBED N#Cc1ncn(CC/N=C(/O)N2CCOC[C@@H]2[C@H]2CCCO2)n1 329374990 NROCAXADQAZYHB-VXGBXAGGSA-N 320.353 -0.056 30 20 DBED C[C@H]1CS(=O)(=O)C[C@H]1N/C(O)=N/[C@H]1CC(=O)N(C2CC2)C1 329606425 MMYQJFDLCZSYGX-ATZCPNFKSA-N 315.395 -0.314 30 20 DBED COCc1nc2n(n1)C[C@H](/N=C(/O)N[C@@H]1CC(=O)N(C)C1)CC2 329795297 CUGPCGKRBKNUQD-NXEZZACHSA-N 322.369 -0.526 30 20 DBED C[C@H](CN1CCN(C)CC1)N/C(O)=N/C[C@]1(O)CCSC1 330007432 DNJNDCKYLZFCEF-TZMCWYRMSA-N 316.471 -0.006 30 20 DBED Cn1cc(N2CCN(/C(O)=N/C[C@H]3COCCO3)CC2=O)cn1 330304711 KNXUBWCFKBSDNG-LBPRGKRZSA-N 323.353 -0.602 30 20 DBED COC(=O)CN1CCN([C@H](C)C(=O)N/C(O)=N/C(C)C)CC1 330673884 FNLICFQZPLHGKX-LLVKDONJSA-N 314.386 -0.396 30 20 DBED C[C@H](C[S@@](C)=O)N/C(O)=N/CCC(=O)N1CCN(C)CC1 330792186 BUIROABMWBJWAW-WSVYEEACSA-N 318.443 -0.579 30 20 DBED COCCO[C@H]1CCN(/C(O)=N/CC(=O)N2CCOCC2)C1 331229852 PPUINNGDXUMGSX-LBPRGKRZSA-N 315.370 -0.504 30 20 DBED CCN1CCCC[C@@H]1CNS(=O)(=O)N1CCO[C@H](C#N)C1 337097966 SODGHTPBKHBBHT-CHWSQXEVSA-N 316.427 -0.080 30 20 DBED N#CCNS(=O)(=O)CCCS(=O)(=O)N1CC[C@H](F)C1 349510020 PFRFVCCDFBWOLS-VIFPVBQESA-N 313.376 -0.807 30 20 DBED C[C@@H]1C[C@@H](N2CCOCC2)CN1S(=O)(=O)N(C)CCC#N 352595741 CNEPEYXAFQMSRR-CHWSQXEVSA-N 316.427 -0.128 30 20 DBED N#CCNC(=O)CNC(=O)Nc1ccc(N2CCOCC2)nc1 353250944 DMCREJWVLCZXLA-UHFFFAOYSA-N 318.337 -0.321 30 20 DBED C=C[C@H](CO)NC(=O)C(=O)Nc1cc(-n2cnnn2)ccc1F 354538623 DZPWXOTZGHUQDB-MRVPVSSYSA-N 320.284 -0.597 30 20 DBED N#CCNC(=O)CNC(=O)C(=O)Nc1cc(C#N)ccc1Cl 357295573 WOJDDWMQTHAXNX-UHFFFAOYSA-N 319.708 -0.094 30 20 DBED CC[C@](COC)(NS(=O)(=O)N(C)CCC#N)C(=O)OC 416520466 WYAWJTWPRUZREE-LLVKDONJSA-N 307.372 -0.366 30 20 DBED C=CC[C@H](CC)NC(=O)C(=O)N1CCC[C@H](C(=O)NCCN)C1 419138086 QCLSXUGBHKKMGJ-STQMWFEESA-N 324.425 -0.229 30 20 DBED CCN(CCC#N)C(=O)CN1CCC[C@@H]1CS(=O)(=O)NC 494691327 SVVUNSJBHPCXHV-GFCCVEGCSA-N 316.427 -0.238 30 20 DBED C[C@H](NS(=O)(=O)CC1(C#N)CC1)C(=O)N1CCOCC1 546619638 SZOXGGPEMVOPGC-JTQLQIEISA-N 301.368 -0.543 30 20 DBED C[C@@H](NS(=O)(=O)CC1(C#N)CC1)C(=O)N1CCOCC1 546619639 SZOXGGPEMVOPGC-SNVBAGLBSA-N 301.368 -0.543 30 20 DBED N#Cc1ncn(CCNC(=O)NCC2(N3CCOCC3)CC2)n1 554093292 PIRHCCSXMTZYOH-UHFFFAOYSA-N 319.369 -0.686 30 20 DBED CCS(=O)(=O)N1CC(CNC(=O)NCC2(C#N)CC2)C1 569906675 AHOLXWXBQIWPQI-UHFFFAOYSA-N 300.384 -0.129 30 20 DBED CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)N1CC[C@](F)(C#N)C1 596747178 CJJCVPNAJWVBHV-KKZNHRDASA-N 305.331 -0.554 30 20 DBED CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)c1ccc(C#N)c(O)c1 598029820 SPLNQDFZQYWYQX-ZYHUDNBSSA-N 310.331 -0.194 30 20 DBED C[C@@H](NC(=O)C(=O)NC[C@H]1COCCN1)c1cccc(C#N)c1 599953403 YMZGCJQGCKHFFR-RISCZKNCSA-N 316.361 -0.160 30 20 DBED CC[C@@]1(O)CCCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)C1 601506287 DZLSGRHVUZMJDA-NWDGAFQWSA-N 303.384 -0.308 30 20 DBED CC#CC[C@H](CO)NC(=O)c1cc(S(N)(=O)=O)c(C)o1 649186142 RYGMXQATEBOHSB-SECBINFHSA-N 300.336 -0.260 30 20 DBED C=C[C@@H]1OCC[C@H]1NC(=O)N(CCN(C)C)CC(=O)N(C)C 665028743 KNKQMOLDYMWFNM-OLZOCXBDSA-N 312.414 -0.009 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(C)C[C@@H](O)C2CC2)C1=O 674814138 KNYGUDFMPJEUSC-SNVBAGLBSA-N 309.322 -0.808 30 20 DBED C#Cc1cccc(NC(=O)CNC(=O)CN2CCN(C)CC2)c1 731870060 AFWCHAHULYRCHM-UHFFFAOYSA-N 314.389 -0.030 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@@H](C)CS(C)(=O)=O 747075897 LZNIGTKQLHPQPO-IUCAKERBSA-N 320.367 -0.389 30 20 DBED CC(CN1Cc2ccccc2C1=O)=NNC(=S)NCC(N)=O 754946301 ZCNYXQBFSNKANP-UHFFFAOYSA-N 319.390 -0.032 30 20 DBED C#CCOCCOC(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 762730002 INQLXYNKBMLSET-CDGCEXEKSA-N 303.314 -0.014 30 20 DBED Cn1cnc2c1c(=O)n(CC(=O)OCC1(C#N)CC1)c(=O)n2C 775838012 BWMUBMNWBHACFI-UHFFFAOYSA-N 317.305 -0.719 30 20 DBED CCS(=O)(=O)CC(=O)OCc1cc(O)n2ncc(C#N)c2n1 783127041 QKYNVGOURQTMQV-UHFFFAOYSA-N 324.318 -0.216 30 20 DBED C[C@H]1CCC(=NNC(=S)NCC(N)=O)[C@@H](n2cncn2)C1 794510564 SQFKNNUCJYDHGJ-WPRPVWTQSA-N 309.399 -0.055 30 20 DBED C#CCC[C@H](O)CNC(=O)Cc1c(C)nc2nc(N)nn2c1C 799199640 AAQLTLPNZBKGHG-NSHDSACASA-N 316.365 -0.244 30 20 DBED CON=CC(=O)NC[C@@H]1CSCCN1C(=O)C=NOC 815916695 HMUZFOIGQJHDOQ-SECBINFHSA-N 302.356 -0.689 30 20 DBED Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1CCCN(O)C1=O 820482092 DHIMELICCIAUEC-SECBINFHSA-N 311.298 -0.014 30 20 DBED C#CCCCS(=O)(=O)N1CCC[C@H]1C(=O)NCC(=O)OC 841573924 GQKBQOZDCWRIGE-NSHDSACASA-N 316.379 -0.517 30 20 DBED CCONC(=O)CNC(=O)C(=O)Nc1cccc(CC#N)c1 846132458 DNIUSTNYAYLPIQ-UHFFFAOYSA-N 304.306 -0.125 30 20 DBED C/N=C(/NCCN1CCOCC1)NCC(=O)NC1CCCC1 848999699 GOZOSBPOPVHSMJ-UHFFFAOYSA-N 311.430 -0.458 30 20 DBED CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)N[C@@H]1CNC[C@H]1C#N 852875752 OZIYYUVPGHKIRS-YUSALJHKSA-N 314.411 -0.679 30 20 DBED C#CCSCCNC(=O)c1cn(C[C@H]2CNC(=O)O2)nn1 878925746 WWQSONKKAHYZIU-SECBINFHSA-N 309.351 -0.517 30 20 DBED C#CC1(O)CN(C(=O)[C@@H]2CC(=O)N(C[C@@H]3CCCN3CC)C2)C1 890522404 GUPPSSLZNPLBQW-KGLIPLIRSA-N 319.405 -0.474 30 20 DBED C#CCC[C@H](O)CNC(=O)NCCS(=O)(=O)N1CCCC1 897947629 PUVYBLDXUQTOMO-LBPRGKRZSA-N 317.411 -0.515 30 20 DBED C#C[C@H](NC(=O)C(=O)N1C[C@H]2CC[C@H]1[C@H](O)C2)[C@H]1CCCO1 898002958 BCKFQBFYSRDNLP-QSLWVIQJSA-N 306.362 -0.345 30 20 DBED CCN(C[C@H](C)C#N)C(=O)COC(=O)CN1C(=O)CN(C)C1=O 919019115 PDOMBOFXNVRMJK-SNVBAGLBSA-N 324.337 -0.568 30 20 DBED C[C@H](C#N)C(=O)N1CCCN(C(=O)CCn2cnnn2)CC1 942071644 ULBZXASWVYTJPG-LLVKDONJSA-N 305.342 -0.716 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCN(CC(N)=O)C[C@@H]2C)nn1 943480923 HBIHYIJDVWRAIN-QWRGUYRKSA-N 306.370 -0.610 30 20 DBED CC#CCN1CC[C@H](NC(=O)CN2CCC(=O)NC2=O)C[C@@H]1C 947899798 NIHMVXGVJKEKRR-STQMWFEESA-N 320.393 -0.079 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]1CNC(=O)c1ccc(C(N)=O)nc1 950823745 HVDXWNMNZACPSX-KOLCDFICSA-N 315.333 -0.329 30 20 DBED C[C@H](C(=O)N(C)C1CN(C(=O)C#CC2CC2)C1)n1cncn1 954100577 VQRFSHZMDVFKBC-LLVKDONJSA-N 301.350 -0.078 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N(C)C(=O)Cn2cncn2)C1 955375978 NRCACJAXMQQRCP-OLZOCXBDSA-N 319.365 -0.462 30 20 DBED C[C@@]1(NC(=O)c2cc(C#N)c[nH]2)CCN(C(=O)CC(N)=O)C1 956802356 LLIXOHQKAMKJRO-CQSZACIVSA-N 303.322 -0.517 30 20 DBED C=C(Cl)CN1CCN(C(=O)CC[C@@H]2NC(=O)NC2=O)CC1 957586193 HRIVJMPGZYXMLQ-JTQLQIEISA-N 314.773 -0.129 30 20 DBED CC#CCN1C[C@H](O)[C@H](CNC(=O)c2nnn(C(C)(C)C)n2)C1 958076357 DTZWHDBDGLQVQO-NEPJUHHUSA-N 320.397 -0.526 30 20 DBED C#CCCN1C[C@H](O)[C@H](CNC(=O)c2ncc(OC)cn2)C1 958242530 CYXWOECDNORDOM-YPMHNXCESA-N 304.350 -0.469 30 20 DBED CC#CCN1C[C@H](O)[C@H](CNC(=O)c2ccnc3[nH]nnc23)C1 958248571 KVVLKYGAYLYJOK-PWSUYJOCSA-N 314.349 -0.601 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cnc(C3CC3)nc2O)C1 958467823 NKEYMMXLFJLVPI-WCQYABFASA-N 316.361 -0.285 30 20 DBED C#CCCN1C[C@H](CNC(=O)c2cc(C(N)=O)c[nH]2)[C@@H](O)C1 958524962 DGPORJPBYAKGIA-AAEUAGOBSA-N 304.350 -0.841 30 20 DBED C=C(Cl)CN1C[C@H]2C(NC(=O)Cn3cnc(C(N)=O)n3)[C@@H]2C1 959970443 BIPOMMYMCHCSBN-RKDXNWHRSA-N 324.772 -0.824 30 20 DBED C=C(Cl)CN1C[C@H]2C(NC(=O)Cn3ccc(O)nc3=O)[C@@H]2C1 960868758 XQVRBBSELFONLH-NXEZZACHSA-N 324.768 -0.252 30 20 DBED C=C(Cl)CN1C[C@@H]2C(NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)[C@H]2C1 961747486 VLVUJXKECYUPIW-XWLWVQCSSA-N 313.785 -0.182 30 20 DBED C=C(C)CCN1C[C@@H]2C(NC(=O)CN3CC(=O)N(C)C3=O)[C@H]2C1 962289278 RTNYGAJJQXBTPB-RYUDHWBXSA-N 320.393 -0.107 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2O)c[nH]1 962389026 NBHATOWSSPYPFO-KGLIPLIRSA-N 312.329 -0.399 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)c1cccc(O)n1 964123897 CENIOYLCKWSVFT-GHMZBOCLSA-N 318.333 -0.096 30 20 DBED C=CCn1cccc1C(=O)NC[C@@H]1COCCN1C(=O)C(N)=O 964226943 TWQUEUSAWHJHIA-LLVKDONJSA-N 320.349 -0.883 30 20 DBED C#Cc1cncc(C(=O)N2CCC[C@H](NC(=O)C(N)=O)CC2)c1 965156055 GXOHPBMZVWELSW-ZDUSSCGKSA-N 314.345 -0.341 30 20 DBED O=C(C#CC1CC1)N1CC[C@@H](NCCN2C(=O)CCC2=O)C1 968617712 KTGSQQMZTZRUDD-CYBMUJFWSA-N 303.362 -0.261 30 20 DBED O=C1NCC[C@@H]1C(=O)N1[C@H]2CC[C@H]1CN(C(=O)C#CC1CC1)C2 969536454 YOFRVZTZZVJTLB-IHRRRGAJSA-N 315.373 -0.262 30 20 DBED C[C@@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)CN1CCCC1=O)C2 969803914 DNZJWVBKURVEAB-AVGNSLFASA-N 318.377 -0.030 30 20 DBED C#CCOc1ncccc1C(=O)N1CC[C@@H](N(C)CC(N)=O)C1 972757983 XSOUMIFBMGDYGT-GFCCVEGCSA-N 316.361 -0.275 30 20 DBED C#CCN1C[C@@H](NC(=O)CN2CCCS2(=O)=O)C(C)(C)C1 974656747 MXWFTGOWMQZBKC-GFCCVEGCSA-N 313.423 -0.518 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)C(N)=O 976756830 HLAKEUUMBUZJJA-LPWJVIDDSA-N 323.393 -0.004 30 20 DBED C#CCN1C[C@H]2C[C@@H](NC(=O)Cn3c(O)nnc3O)CC[C@H]2C1 980231316 MGHCVUHVIHDXPM-TUAOUCFPSA-N 319.365 -0.461 30 20 DBED C[C@H](C#N)C(=O)N1CCCN(C[C@H](O)Cn2cccn2)CC1 980840162 UPDDXASOMWYUDB-KGLIPLIRSA-N 305.382 -0.062 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H](NC(=O)C(N)=O)C2)cn1 981847853 NLRJKQSENPBVIF-GXFFZTMASA-N 314.345 -0.437 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)c3nnn(C)n3)C[C@H]2C1 986599805 WNQMVUATORFMER-MXWKQRLJSA-N 317.353 -0.710 30 20 DBED C#CCN1CCC(C(=O)N[C@H]2CCN(C(=O)CC)C[C@@H]2O)CC1 991550200 YUQVSQOSHFMKBP-GJZGRUSLSA-N 321.421 -0.180 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCCN(CC(N)=O)[C@@H]2C)nn1 993947434 HFRIFNBYTHUSFE-GHMZBOCLSA-N 306.370 -0.468 30 20 DBED CN(C(=O)c1cnn2c(=O)cc[nH]c12)C1CC(NCC#N)C1 999521537 YXMPANVAUZFRSQ-UHFFFAOYSA-N 300.322 -0.261 30 20 DBED N#CCN1CC[C@@H](n2cc(CNC(=O)c3cnon3)nn2)C1 1000032712 DZHQLPFLTVBUJR-SNVBAGLBSA-N 302.298 -0.639 30 20 DBED CC#CCN1CCC[C@@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)C1 1009091966 YXBVEPQJMLLITH-GFCCVEGCSA-N 320.393 -0.079 30 20 DBED N#Cc1ccc(C(=O)N2CCN(C(=O)[C@H]3COCCO3)CC2)[nH]1 1010412944 XCEBSTLQPNKIGD-CYBMUJFWSA-N 318.333 -0.414 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2C(NC(=O)c3cnc(O)n3C)[C@H]2C1 1013545216 YFCOJTUSLMGXRZ-VGMNWLOBSA-N 303.322 -0.528 30 20 DBED C#CCOc1ncccc1C(=O)N[C@@H]1CCN(CC(=O)NC)C1 1016017859 YRBCMGQUAXCYFT-GFCCVEGCSA-N 316.361 -0.356 30 20 DBED CC(=O)N1CCC[C@H](N2CCN(C(=O)[C@@H](C)C#N)CC2=O)C1 1017853090 XIJXKYBBTVZUAU-AAEUAGOBSA-N 306.366 -0.172 30 20 DBED Cn1nncc1C(=O)N1CC2(CCN(C(=O)C#CC3CC3)C2)C1 1018984638 CXAZIQWQVFUJSH-UHFFFAOYSA-N 313.361 -0.097 30 20 DBED C[C@H](C#N)C(=O)N1CCC2(CN(C(=O)[C@@H]3CN(C)C(=O)N3)C2)C1 1019254438 IJJQDQVFHVJJLL-MNOVXSKESA-N 319.365 -0.769 30 20 DBED C#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)CN2CCNC(=O)C2)C1 1021651329 CTQVCTDGEQIDJR-LSDHHAIUSA-N 318.421 -0.636 30 20 DBED CC#CCN1[C@H]2CC[C@H]1CN(C(=O)Cn1ncn(C)c1=O)C2 1029370145 UDJCVPZMBVXIBN-STQMWFEESA-N 303.366 -0.720 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1035454603 NQXJBYIFDYSLRE-ZQDZILKHSA-N 308.378 -0.512 30 20 DBED C=CCCN1CC[C@@H]1CNC(=O)c1cn(C)c(=O)n(C)c1=O 1038765815 CCTWQESPAZLEDX-LLVKDONJSA-N 306.366 -0.536 30 20 DBED Cc1cc(C#N)nc(N(C)C[C@H]2CCCCN2C(=O)C(N)=O)n1 1039977095 ALIASJOBULUKOQ-GFCCVEGCSA-N 316.365 -0.041 30 20 DBED N#Cc1nccnc1N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCOC2)C1 1040938191 DPPPSNVUIRLBPV-YUSALJHKSA-N 303.322 -0.950 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(O)CN(C(=O)Cc2ccoc2)C1 1042806806 KFHLFJDOVYXBBF-HNNXBMFYSA-N 322.361 -0.161 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)[C@H]2CCO[C@H]2C)C1 1043032689 FRBBJJDTUOZEJM-STQMWFEESA-N 324.377 -0.859 30 20 DBED CCn1ccc(CC(=O)NCC2(O)CN(C(=O)[C@@H](C)C#N)C2)n1 1043279660 UCAFTHFNWBQQKR-NSHDSACASA-N 319.365 -0.705 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)CCc2cnc[nH]2)C1 1043526034 TUHUXJFUOBEMSO-UHFFFAOYSA-N 306.366 -0.002 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)[C@H](F)C(C)C)C1 1044958509 NVABEYRSYQJQEF-GFCCVEGCSA-N 302.346 -0.127 30 20 DBED C=C[C@](C)(CC)C(=O)NCC1(O)CN(C(=O)[C@H]2CCC(=O)N2)C1 1045778518 ZMCLBEBNWHGNOS-IAQYHMDHSA-N 323.393 -0.443 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2conc2COC)C1 1047594022 MAIROQPYAZUIEW-KBPBESRZSA-N 307.350 -0.039 30 20 DBED C#CCN1C[C@H]2CN(C(=O)[C@@H]3CCc4nnn(C)c4C3)C[C@H]2C1 1049006957 OPSMVOPGKNKGAM-MCIONIFRSA-N 313.405 -0.057 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)CCCCC(N)=O)C[C@@H]1O 1049394861 NXTDHMYDYMHTFQ-SRVKXCTJSA-N 324.381 -0.778 30 20 DBED C[C@@H]1[C@@H](NC(=O)[C@H]2CNC(=O)N2)CCN1c1ccnc(C#N)n1 1050952515 SIBMNFNYDOHUGP-KXUCPTDWSA-N 315.337 -0.887 30 20 DBED N#CCN1CCOC[C@H]1CNC(=O)C1CCS(=O)(=O)CC1 1051144627 VDALFJADOLVWCB-GFCCVEGCSA-N 315.395 -0.848 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)c1cnn(CCN(C)C)c1 1051159889 NRSOIJRPIALKCW-HNNXBMFYSA-N 319.409 -0.492 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)[C@@H]1CCc2nnc(C)n2C1 1051256739 AAUYBLLNHJPWNJ-ZIAGYGMSSA-N 317.393 -0.401 30 20 DBED N#Cc1cnc(NC2CC(CNC(=O)[C@@H]3COC(=O)N3)C2)cn1 1051926575 QSSXVKDLPYRGGX-AMUVOQDHSA-N 316.321 -0.237 30 20 DBED N#CCN1CCN([C@@H]2CCN(C(=O)CCn3cncn3)C2)CC1 1051980566 ILIZXPQMHGKYDG-CQSZACIVSA-N 317.397 -0.590 30 20 DBED C#CCN1CCN([C@H]2CCN(C(=O)[C@@H]3COCCO3)C2)CC1 1051987035 LOKWKDNDNLPYDD-GJZGRUSLSA-N 307.394 -0.747 30 20 DBED N#CCN1CCN([C@@H]2CCN(C(=O)[C@@H]3COCCO3)C2)CC1 1051988498 XAIGLKQHHUIWBZ-KGLIPLIRSA-N 308.382 -0.856 30 20 DBED C=CCOCCCC(=O)N1C[C@H](CNC(=O)C(N)=O)[C@@H](C)C1 1052312983 GQWRQTZYSBFIQH-RYUDHWBXSA-N 311.382 -0.335 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1C 1052662406 TYNUQNHOBYAVPP-CHWSQXEVSA-N 318.381 -0.457 30 20 DBED C#CCCN1CC2(CC[C@H](CNC(=O)[C@H]3CN(C)C(=O)N3)O2)C1 1053643110 VCQSMRYFMZBEDS-CHWSQXEVSA-N 320.393 -0.617 30 20 DBED C[C@]1(C(=O)N[C@H]2COC3(C2)CN(CC#N)C3)CCC(=O)NC1 1053903656 WGZBUBMONJOABU-RISCZKNCSA-N 306.366 -0.614 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)c3ccoc3CC(N)=O)CO2)C1 1053908045 JJXZMHOHJNHOKW-LLVKDONJSA-N 317.345 -0.486 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)C[C@H]3CCC(=O)N3)CO2)C1 1053954372 OTTPTGKIUNGVPL-OLZOCXBDSA-N 305.378 -0.362 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)[C@H]3CN(CC)CCO3)CO2)C1 1054015084 YINDIWJTKSMJEZ-ZIAGYGMSSA-N 307.394 -0.700 30 20 DBED N#CCN1CC[C@]2(CCCN(C(=O)C[C@@H]3CC(=O)NC3=O)C2)C1 1054250703 ZOWQWFKODNKHLL-BLLLJJGKSA-N 318.377 -0.123 30 20 DBED N#CCN1CC[C@@]2(CCCN(C(=O)C[C@@H]3CC(=O)NC3=O)C2)C1 1054250704 ZOWQWFKODNKHLL-LRDDRELGSA-N 318.377 -0.123 30 20 DBED CC(=O)N(C)CC(=O)N[C@@]1(CO)CCCN(C(=O)[C@@H](C)C#N)C1 1055784236 PVRRGENCIYSYDZ-NHYWBVRUSA-N 324.381 -0.906 30 20 DBED C[C@H](C#N)C(=O)N[C@@]1(CO)CCCN(C(=O)c2cn[nH]c2)C1 1056093112 HBPIMTDUNRFTSQ-YGRLFVJLSA-N 305.338 -0.347 30 20 DBED CN1C(=O)CC[C@@H]1C(=O)N1CC[C@@H](Nc2cncc(C#N)n2)C1 1056758497 KZLZYDIJHOLHEE-ZYHUDNBSSA-N 314.349 -0.018 30 20 DBED N#Cc1nccnc1N[C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 1056764098 INEMLOPURMBTDR-PSASIEDQSA-N 301.310 -0.958 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCCN(CCO)C(=O)COCC 1056868051 ROGUPCVJVJTKCI-OLZOCXBDSA-N 314.382 -0.449 30 20 DBED Cn1ccc(C(=O)NCCN(CCO)C(=O)CSCC#N)c1 1057026549 CNVQTSWNVHDHEU-UHFFFAOYSA-N 324.406 -0.167 30 20 DBED C#CCO[C@H](C)C(=O)NCCN(CCO)C(=O)[C@H](C)OCC 1057066031 UOXARAZKJUYBKB-OLZOCXBDSA-N 314.382 -0.613 30 20 DBED C#CCOCCC(=O)NCCN(CCO)C(=O)[C@@H](CC)OC 1057156347 AICPTGCOLCDFDB-CYBMUJFWSA-N 314.382 -0.612 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)c1ccc(C#N)[nH]1 1057366984 LERYIUMOXKXKOA-UHFFFAOYSA-N 320.349 -0.360 30 20 DBED Cc1cc(C(=O)NCCN(CCO)C(=O)C#CC2CC2)cnn1 1057531011 BSZZABLGYWGVFR-UHFFFAOYSA-N 316.361 -0.251 30 20 DBED CC(C)[C@H](C(=O)NCCN(CCO)C(=O)C#CC1CC1)N(C)C 1057533792 WWIRGEOUWWBYRG-MRXNPFEDSA-N 323.437 -0.077 30 20 DBED Cc1cn(C)nc1C(=O)N(CCO)CCNC(=O)[C@H](C)C#N 1057545716 LTLCNYOWWZVLBR-SNVBAGLBSA-N 307.354 -0.561 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)CCN1CCCC1=O 1057656495 YYQACNVCZILBHB-LBPRGKRZSA-N 324.381 -0.904 30 20 DBED COC1CC(C(=O)N(CCO)CCNC(=O)C#CC2CC2)C1 1057889782 INACYGQFVGNLAS-UHFFFAOYSA-N 308.378 -0.238 30 20 DBED C=CC(C)(C)C(=O)N(CCO)CCNC(=O)[C@@H](C)n1cncn1 1058302396 RSLJUUJFCWYGON-GFCCVEGCSA-N 323.397 -0.012 30 20 DBED CN1CCO[C@@H](C(=O)N[C@H]2CCN(c3ccnc(C#N)n3)C2)C1 1058317335 UNYAISMDZBGPHE-NWDGAFQWSA-N 316.365 -0.626 30 20 DBED C=C[C@H](C)[C@@H](C)C(=O)N(CCO)CCNC(=O)Cn1ncnn1 1058434940 APBVERALISIQCL-NWDGAFQWSA-N 324.385 -0.932 30 20 DBED Cc1cc(=N[C@H]2CCN(C(=O)Cn3nccn3)C2)c(C#N)c[nH]1 1058978035 HTCZXFOJKSFSBV-ZDUSSCGKSA-N 311.349 -0.012 30 20 DBED C[C@@]1(C(=O)N2CC[C@H](Nc3cncc(C#N)n3)C2)CNC(=O)C1 1059007643 IHVMFKNVIJXQIV-BONVTDFDSA-N 314.349 -0.113 30 20 DBED C[C@H](C#N)C(=O)NCC[C@H]1CCN(C(=O)CC(=O)N(C)C)C1 1059666546 MMNTVYYMAASGKL-NEPJUHHUSA-N 308.382 -0.021 30 20 DBED Cn1cc(C(=O)NC[C@H]2CCCN2c2cncc(C#N)n2)nn1 1061349242 SFJCNWQJGIUULN-LLVKDONJSA-N 312.337 -0.124 30 20 DBED C=CCCC(=O)NC[C@H]1COCCN1C(=O)[C@H]1CCCC(=O)N1 1061410429 PXURPQGYNXRKNV-QWHCGFSZSA-N 323.393 -0.035 30 20 DBED C=CCOCC(=O)NC[C@H]1COCCN1C(=O)c1cncnc1 1061423017 DJZOVJGJHWYDEL-ZDUSSCGKSA-N 320.349 -0.364 30 20 DBED C[C@@H](N=c1cc[nH]cc1C#N)C1CCN(C(=O)C(N)=O)CC1 1061874657 HJHVWLRIFVOUQI-SNVBAGLBSA-N 301.350 -0.101 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2c1ccc2nnnn2n1 1061939243 VQSATBBAKSFDJT-GARJFASQSA-N 312.337 -0.141 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@H]1CCCCN1C(=O)CC(N)=O 1062082245 VKUPXFSQINLKAK-ABAIWWIYSA-N 311.382 -0.314 30 20 DBED C#CCO[C@H](C)C(=O)NC1(CNC(=O)[C@H](C)NC(C)=O)CCC1 1062462385 XFTJSIXTDCEOEE-NWDGAFQWSA-N 323.393 -0.296 30 20 DBED CN(C(=O)Cn1nccn1)[C@H]1CCN(c2cnc(C#N)cn2)C1 1062984129 QFERFKMLMDYSHD-LBPRGKRZSA-N 312.337 -0.323 30 20 DBED C[C@H]1CN(C(=O)CC(N)=O)CC[C@H]1N=c1cc[nH]cc1C#N 1063713906 QLSRJWMEWREZPC-CMPLNLGQSA-N 301.350 -0.101 30 20 DBED N#Cc1cncc(NC[C@@H]2CCCC[C@H]2NC(=O)C(N)=O)n1 1064187983 JZTPDMVYWCMLKY-GXSJLCMTSA-N 302.338 -0.080 30 20 DBED C=CCO[C@H](C)C(=O)NC1(CNC(=O)[C@@H]2CNC(=O)N2)CCC1 1064270232 HSAMFAOWYYUVHB-MNOVXSKESA-N 324.381 -0.586 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CN(C(=O)CCCN(C)C)CCO1 1065536008 UBYOJTNVYCPUCT-CHWSQXEVSA-N 310.398 -0.169 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@H](CNC(=O)CNC(=O)C2CC2)C1 1065555870 AVSSFAREKHZXCT-ZYHUDNBSSA-N 322.365 -0.984 30 20 DBED C[C@H](C#N)C(=O)N(C)CCCN(C)C(=O)CS(C)(=O)=O 1066959800 ZYKAJBBSXUHGEM-SNVBAGLBSA-N 303.384 -0.502 30 20 DBED C[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@@H]1Nc1ccc(C#N)nn1 1067187812 XZOXVBOFGRILIA-KOLCDFICSA-N 314.349 -0.127 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](CNC(=O)c3ccncn3)C2)nc1 1067677108 YSNMNRXSJQHAFJ-TZMCWYRMSA-N 324.344 -0.030 30 20 DBED N#Cc1nccnc1NCC1CC(NC(=O)Cn2ncnn2)C1 1067866795 YHNHMBNZOBJTMQ-UHFFFAOYSA-N 313.325 -0.658 30 20 DBED N#Cc1cnccc1N1C[C@H]2CC[C@H]1CN2C(=O)Cn1ncnn1 1068051819 ZTRHHRVWCIMDIL-QWHCGFSZSA-N 324.348 -0.180 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1COC2(C1)CN(C(=O)CCN(C)C)C2 1069007495 GNOKABTYVFBZED-NWDGAFQWSA-N 308.382 -0.416 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2nonc2C)C1 1070108275 UHENNBJLWAMNON-MNOVXSKESA-N 303.326 -0.189 30 20 DBED C=CCCN1CCN([C@H]2CCCN(C(=O)C(N)=O)C2)C(=O)C1 1071272595 RVZLRBUIOBTVSF-LBPRGKRZSA-N 308.382 -0.817 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(C(=O)c2cc[nH]n2)C[C@@H]1C 1071652091 QNBJXVFHRVFHIU-CMPLNLGQSA-N 317.349 -0.874 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)c2cnn(C)c2N)C[C@@H]1C 1071948575 JMVOOFFYVVUZJG-CMPLNLGQSA-N 321.381 -0.218 30 20 DBED CC#CCN1C[C@@H](NC(=O)Cn2c(O)nnc2O)CC[C@@H]1C 1072027297 WPTKQXJWADCSSB-QWRGUYRKSA-N 307.354 -0.318 30 20 DBED C=CCCOCC(=O)N1C[C@@H](C)[C@@H](NC(=O)CC(=O)NC)C1 1072334097 WSVRIFNKVCDCST-NEPJUHHUSA-N 311.382 -0.322 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@@H]1C 1072542964 DXPFVDRPNRCSCQ-WDEREUQCSA-N 304.354 -0.410 30 20 DBED C[C@@H]1CN(C)C[C@H](C(=O)NC[C@@H]2CN(CC#N)CCCO2)O1 1073661073 VONBWPJBFLILGR-MGPQQGTHSA-N 310.398 -0.564 30 20 DBED C#CCCCC(=O)N1CC[C@@H](NC(=O)Cn2cnnn2)C[C@@H]1C 1074808474 PPYFLTGVWYPGNQ-QWHCGFSZSA-N 318.381 -0.028 30 20 DBED C#Cc1ccc(C(=O)N[C@@H](C)CCNC(=O)CNC(C)=O)nc1 1075419327 CPWXSNBJIBBMDA-NSHDSACASA-N 316.361 -0.176 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)[C@H]1CCCOC1 1075897253 DLFPZNPCRYNLLK-STQMWFEESA-N 323.393 -0.437 30 20 DBED CNC(=O)CC(=O)N[C@@H](C)CCNC(=O)c1c[nH]c(C#N)c1 1076215704 RKDNSDBYOLLUBS-VIFPVBQESA-N 305.338 -0.353 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)c1ccnn1C 1076218080 VJTADLCWEXCRIJ-NSHDSACASA-N 319.365 -0.816 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)c1cocn1 1076219083 SUYPDWZLJKAOPK-JTQLQIEISA-N 306.322 -0.561 30 20 DBED C=CCOCC(=O)N[C@@H](C)CCNC(=O)C[C@@H](C)NC(N)=O 1076519647 JHEKNNCWZNDJLQ-WDEREUQCSA-N 314.386 -0.353 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN(C(C)=O)C2)C1 1077335398 PEKKUWKCVWILOW-RBSFLKMASA-N 309.410 -0.018 30 20 DBED C=CCCn1cc(C(=O)N[C@@H]2CN([C@@H](C)COC)C[C@H]2O)nn1 1077814179 XEXYATUEWISJTG-OUCADQQQSA-N 323.397 -0.336 30 20 DBED C[C@@H](CCNC(=O)[C@@H](C)C#N)NC(=O)CCCCNC(N)=O 1078133214 DBNJTMRRJHTVSH-QWRGUYRKSA-N 311.386 -0.004 30 20 DBED C=CCO[C@H](C)C(=O)N1CC(N(CC)C(=O)[C@H]2CCNC2=O)C1 1080216268 PCRNXZCTMUUHKT-YPMHNXCESA-N 323.393 -0.227 30 20 DBED O=C(NC1(CO)CCN(C(=O)C#CC2CC2)CC1)c1ncc[nH]1 1080848208 FXFBTTMZVJHLPK-UHFFFAOYSA-N 316.361 -0.094 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1c[nH]nc1[C@H]1CCOC1 1081987864 HWTUWQOJIQYOCA-CYZMBNFOSA-N 319.365 -0.134 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H]2CN(Cc3ncnn3C)C[C@@H]21 1083026107 OLIBJNPMJZAANR-GRYCIOLGSA-N 304.354 -0.614 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CCN(C)C(=O)C1 1083123839 WAANXIDDMXMGRI-QLFBSQMISA-N 319.405 -0.210 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CCc2c[nH]nc2C1 1083281314 FTCXKWNQFVUWNM-TUKIKUTGSA-N 315.377 -0.050 30 20 DBED C=CCN1CC[C@H](N2C[C@H](O)[C@H](NC(=O)C(C)(C)F)C2)C1=O 1083305671 ZNVWEUMYDXCIGI-WOPDTQHZSA-N 313.373 -0.317 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[nH]3)C[C@@H]2O)C1 1083756364 QFZUBDIXLBMENO-MNOVXSKESA-N 321.381 -0.874 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CN(C[C@@H](F)CC)C[C@@H]2O)nn1 1083843483 JVUSOPJJAGFILX-LOWVWBTDSA-N 311.361 -0.013 30 20 DBED CCc1nn(C)c(Cl)c1C(=O)N[C@@H]1CN(CC#N)C[C@@H]1O 1083926939 SGTUGWQOGJYURK-ZJUUUORDSA-N 311.773 -0.066 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCC(=O)N(C)C2)C1 1084094041 LQOVOHJXZKIYCI-UTUOFQBUSA-N 315.801 -0.231 30 20 DBED C#CCN1CC[C@H](NC(=O)[C@@H]2CCN(C)S2(=O)=O)[C@H]1CC 1087758329 OMDSIMWRQTVTCY-XQQFMLRXSA-N 313.423 -0.377 30 20 DBED CC(=O)NCC(=O)N1CC[C@H]2CN(c3nccnc3C#N)C[C@H]21 1090283563 DVIFTACSEAVTGF-WCQYABFASA-N 314.349 -0.479 30 20 DBED NC(=O)C(=O)N[C@@H]1CCN(CC#Cc2ccccc2)C[C@H]1O 1090533272 YETQJZBQDYVDJE-ZIAGYGMSSA-N 301.346 -0.925 30 20 DBED C=CCN1CC[C@@H](NC(=O)c2cnn(CCOC)c2)[C@@H](O)C1 1090765147 VIGHLYJORPXBIH-KGLIPLIRSA-N 308.382 -0.120 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cccc(C(=O)NC)n2)[C@@H](O)C1 1090768033 PQSUQKAMZIYQOK-FZMZJTMJSA-N 316.361 -0.761 30 20 DBED COC[C@@H](C)CC(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1091136889 CUXDNWWGAZSNOL-UHTWSYAYSA-N 319.365 -0.313 30 20 DBED C[C@@H]1[C@@H](NC(=O)CC(=O)N(C)C)CCN1c1ccnc(C#N)n1 1092059455 YYZYAAFJYUUNHT-MNOVXSKESA-N 316.365 -0.090 30 20 DBED CCCOCC(=O)N[C@@H]1CCN(c2nccnc2C#N)C[C@H]1O 1092143003 PPDFNRKZWURBDF-DGCLKSJQSA-N 319.365 -0.169 30 20 DBED CC(C)OCC(=O)N[C@@H]1CCN(c2nccnc2C#N)C[C@H]1O 1092144127 WNNMCRQXNAMNMO-DGCLKSJQSA-N 319.365 -0.171 30 20 DBED C[C@H](CC(=O)N1CCN(c2cnc(C#N)cn2)CC1)NC(N)=O 1093177551 BXPKITPQJSMSAZ-SNVBAGLBSA-N 317.353 -0.556 30 20 DBED CC[C@@H](NC(C)=O)C(=O)N1CCN(c2nccnc2C#N)CC1 1093197030 UVZLVDCSSIXSAB-GFCCVEGCSA-N 316.365 -0.088 30 20 DBED C[C@H](CS(C)(=O)=O)C(=O)NCCNc1cncc(C#N)n1 1093681955 WESVRPYGTRKGBS-SECBINFHSA-N 311.367 -0.443 30 20 DBED C=CCN1CC(n2cc(CNC(=O)c3ccnn3C)nn2)C1 1094278411 GOAYUTHJSSNHCX-UHFFFAOYSA-N 301.354 -0.016 30 20 DBED N#CCN1CC(N2C[C@@H](NC(=O)c3n[nH]cc3F)CC2=O)C1 1094786158 SLWHCCRTSHWSPV-QMMMGPOBSA-N 306.301 -0.913 30 20 DBED CC#CCN1CC(N2C[C@@H](NC(=O)CN3CCCC3)CC2=O)C1 1094817437 MGUCLJSULQKAHB-AWEZNQCLSA-N 318.421 -0.493 30 20 DBED C#CCN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1nc(C)n(C)c1=O)C2 1095048256 ZSBINMZGDJJJHY-MJBXVCDLSA-N 317.393 -0.507 30 20 DBED CC(=O)N[C@H](C)C(=O)N1CC[C@H](N(C)c2ccnc(C#N)n2)C1 1095090605 RSOFFRIRLJUKAL-PWSUYJOCSA-N 316.365 -0.090 30 20 DBED CC(=O)NCC(=O)N1CCC[C@@H](Nc2ccc(C#N)nn2)C1 1095273132 PYWFRTXEASNVOZ-GFCCVEGCSA-N 302.338 -0.113 30 20 DBED CS(=O)(=O)CC(=O)N[C@H]1CCCN(c2cnc(C#N)cn2)C1 1096154931 ATVNPWHSPLBJSJ-JTQLQIEISA-N 323.378 -0.522 30 20 DBED N#Cc1cncc(N2CCC[C@@H](NC(=O)CCNC(N)=O)C2)n1 1096180708 MAJGXUVLPWDSCE-SNVBAGLBSA-N 317.353 -0.508 30 20 DBED N#Cc1nccc(N2CC[C@H](NC(=O)CCn3cncn3)C2)n1 1096315414 NPAIYYHFLKMGEA-NSHDSACASA-N 312.337 -0.275 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCN(c2nccc(C)n2)C1 1096359776 GTCJREJZFWQJRY-GFCCVEGCSA-N 301.350 -0.381 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](Nc1ccc2nnnn2n1)C1CC1 1096598686 PTDYUXGSEDEKCF-WCBMZHEXSA-N 300.326 -0.014 30 20 DBED CC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cn(CC(N)=O)nn1 1096609079 IBCALZINIUYHAE-MDZLAQPJSA-N 316.365 -0.878 30 20 DBED Cc1cc(=N[C@@H](C)CNC(=O)[C@@H]2COCCN2C)c(C#N)c[nH]1 1097765792 YEVYTBMAMXYKBZ-WFASDCNBSA-N 317.393 -0.069 30 20 DBED C[C@H](CNC(=O)CNC(=O)C1CCC1)N=c1cc[nH]c(C#N)n1 1097892505 YQSJCUWZQULTLD-SNVBAGLBSA-N 316.365 -0.397 30 20 DBED C[C@@H](CNC(=O)C[C@H]1CC(=O)NC1=O)Nc1ccc(C#N)nn1 1097943492 FYPAQMGFSGPNNC-IUCAKERBSA-N 316.321 -0.682 30 20 DBED C[C@H](CNC(=O)CC1CS(=O)(=O)C1)N=c1cc[nH]cc1C#N 1098123877 LSUNXHPAMMJJCU-SNVBAGLBSA-N 322.390 -0.274 30 20 DBED N#CCN1C[C@@H]2CCC[C@]2(NC(=O)Cn2ccc(O)nc2=O)C1 1098927328 LCUHFGSMTNHBRK-NHYWBVRUSA-N 317.349 -0.557 30 20 DBED CN1CCO[C@H](C(=O)N2C[C@@H](NCC#N)[C@H](C(F)(F)F)C2)C1 1099231549 KDXVQMOZRQMWTL-MXWKQRLJSA-N 320.315 -0.181 30 20 DBED C[C@H](CCNC(=O)[C@@H]1CCC(=O)N1)Nc1nccnc1C#N 1099362450 XLHSIQRWCPMVQE-ZJUUUORDSA-N 302.338 -0.066 30 20 DBED C[C@@H](CCNC(=O)[C@H]1CNC(=O)N1)Nc1ccc(C#N)cn1 1099682106 AMWSFGZQNKNYOH-GXSJLCMTSA-N 302.338 -0.059 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)C=C2CCC2)[C@H](O)C1 1099764644 YGMUZKFRTTVUSX-UONOGXRCSA-N 305.378 -0.603 30 20 DBED CCn1ccnc1C(=O)N[C@@H]1CCN(CC#CCOC)C[C@@H]1O 1099796921 LBKNDHXDAWJQLT-KGLIPLIRSA-N 320.393 -0.282 30 20 DBED C#CCN1CC[C@@H](NC(=O)CNC(=O)CC2CCCC2)[C@@H](O)C1 1100031984 MWMFMBSNVQHNAA-CABCVRRESA-N 321.421 -0.133 30 20 DBED C=CCCOCC(=O)N[C@H]1CCN(CC(=O)NCC)C[C@H]1O 1100138806 LBNFWIIRKSYLCK-QWHCGFSZSA-N 313.398 -0.733 30 20 DBED CCC(CC)C(=O)NCC(=O)N[C@@H]1CCN(CC#N)C[C@@H]1O 1100148550 JWIQTXVBTIVBDB-OLZOCXBDSA-N 310.398 -0.386 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCC1CC(NCC(=O)N(C)C)C1 1100415248 GWYQBFSJHYOHLR-NRXISQOPSA-N 320.437 -0.343 30 20 DBED CCN(CCNC(=O)CNC(=O)NC)c1ccncc1C#N 1100750327 RYAMCOHFUZMQBK-UHFFFAOYSA-N 304.354 -0.175 30 20 DBED C=CCNC(=O)CNC1CC(CNC(=O)Cc2nonc2C)C1 1100813819 RRWKDVFFOMDBMR-UHFFFAOYSA-N 321.381 -0.293 30 20 DBED N#Cc1cncc(N2CCC[C@H]2CNC(=O)Cn2nccn2)n1 1100872065 NWOKXQCINHZXLE-LBPRGKRZSA-N 312.337 -0.275 30 20 DBED C[C@@H](CC(N)=O)C(=O)NC[C@@H]1CCCN1c1ccc(C#N)nn1 1100886892 QIBHEFHDQRUJNE-JQWIXIFHSA-N 316.365 -0.055 30 20 DBED CCCN(CCNC(=O)[C@H]1COC(=O)N1)c1ccc(C#N)nn1 1101132541 QSTUTSLVEYHBJW-LLVKDONJSA-N 318.337 -0.211 30 20 DBED Cc1cc(C#N)nc(N(CCNC(=O)CC(N)=O)C2CC2)n1 1101307811 HOOIVXDMKMJPEA-UHFFFAOYSA-N 302.338 -0.383 30 20 DBED CCNC(=O)CC(=O)NCCN(c1cncc(C#N)n1)C1CC1 1101317855 UAWKOAKPKMBIHB-UHFFFAOYSA-N 316.365 -0.041 30 20 DBED C#CCN1C[C@@H]2CN(C(=O)[C@H](C)NS(C)(=O)=O)C[C@]2(C)C1 1101375376 PRXSXTVFMVICFR-SCRDCRAPSA-N 313.423 -0.662 30 20 DBED Cc1cc(=NCCN(C)C(=O)[C@H]2CN(C)CCO2)c(C#N)c[nH]1 1101538381 VLFYIJDJRUZYJT-OAHLLOKOSA-N 317.393 -0.116 30 20 DBED C=CCCN1C[C@@H](C)[C@H](CNC(=O)Cn2cnc(C(N)=O)n2)C1 1101983735 JBGFOCKDSIZDIK-VXGBXAGGSA-N 320.397 -0.363 30 20 DBED CN(CCN1CCN(c2ncccc2C#N)CC1)C(=O)C(N)=O 1102421556 WWZNMGHZYLITGP-UHFFFAOYSA-N 316.365 -0.981 30 20 DBED CC(=O)NCC(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(C#N)cn1 1102535128 HYDGYPKVGGWDLM-RYUDHWBXSA-N 300.322 -0.726 30 20 DBED C#CCCN1C[C@@H](C)[C@H](CNC(=O)CN2C(=O)CNC2=O)C1 1102557887 SZYAPSVSVFXQPJ-VXGBXAGGSA-N 306.366 -0.754 30 20 DBED CN(C(=O)CNC(N)=O)[C@H]1CCN(c2ncc(C#N)cc2F)C1 1102668836 VGYZRESALKOYFJ-JTQLQIEISA-N 320.328 -0.202 30 20 DBED C[C@@H]1CN(Cc2nc(=O)n(C)[nH]2)C[C@H]1CCNC(=O)[C@H](C)C#N 1102783480 BNOMICRLGHMWPU-IJLUTSLNSA-N 320.397 -0.158 30 20 DBED CC[C@@H](CNC(=O)[C@H]1CCC(=O)N1)N=c1cc[nH]c(C#N)n1 1102992386 QLAPHBJWQPPFEW-VHSXEESVSA-N 302.338 -0.645 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)[C@@H]1CN(C)C(=O)N1 1104766327 HRGXQYRNIARWOK-UWVGGRQHSA-N 317.353 -0.947 30 20 DBED C#CCNCc1cn(C2CN(C(=O)c3cnn(C)c3C)C2)nn1 1105159592 RNPVFIXIUIKJJK-UHFFFAOYSA-N 313.365 -0.260 30 20 DBED C=CCNCc1cn(C2CN(C(=O)c3cnc(O)n3C)C2)nn1 1105297062 GMXOFSDSEMKSNU-UHFFFAOYSA-N 317.353 -0.310 30 20 DBED CN1CC[C@@H](C(=O)N(C)CCN(C)c2cnc(C#N)cn2)C1=O 1105525018 MEJLEEYSEIAPGO-GFCCVEGCSA-N 316.365 -0.279 30 20 DBED C=CCOCC(=O)N1CCC(OC2CN(CC(N)=O)C2)CC1 1105696725 CMRVCMWYAXIBDI-UHFFFAOYSA-N 311.382 -0.634 30 20 DBED Cc1cc(C#N)nc(NC[C@H](O)CNC(=O)c2cn[nH]c2)n1 1105717835 CNHGGNGMQSKORM-LLVKDONJSA-N 301.310 -0.417 30 20 DBED C#CCCCC(=O)NC[C@@H](O)CNc1nc(C)nc(N(C)C)n1 1105798615 HNUNNLPVJNAQBF-GFCCVEGCSA-N 320.397 -0.061 30 20 DBED COCCO[C@@H](C)C(=O)NC[C@@H](O)CN=c1cc[nH]cc1C#N 1105963254 OSLCWPASTSMWDQ-AAEUAGOBSA-N 322.365 -0.684 30 20 DBED C#CCOCCC(=O)NC[C@@H](O)CN=c1cc[nH]cc1C#N 1105966139 KZQLJMLMEHYOTE-ZDUSSCGKSA-N 302.334 -0.696 30 20 DBED C#CCOCCC(=O)NC[C@H](O)CNc1ccc(C#N)cn1 1105970564 JSHBFKYORQUHCY-CYBMUJFWSA-N 302.334 -0.118 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H](O)CN=c1cc[nH]cc1C#N 1105970865 OANFOBGGWZVIMI-YPMHNXCESA-N 302.334 -0.698 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H](O)CNC(=O)COCC(F)F 1106032365 PIFNRUWUHWMXII-JTQLQIEISA-N 314.292 -0.454 30 20 DBED N#Cc1nc(=NC[C@@H](O)CNC(=O)c2csc(O)n2)cc[nH]1 1106067111 QOBYKAMIFCLZJJ-SSDOTTSWSA-N 320.334 -0.865 30 20 DBED C[C@@H](CCNc1cncc(C#N)n1)NC(=O)c1nnn(C)n1 1106522792 BTQQHOGDHZHCTI-QMMMGPOBSA-N 301.314 -0.508 30 20 DBED CCN(CCNc1nc(C)cc(C#N)n1)C(=O)CCNC(N)=O 1106764062 GNTVWOSNLAWUJY-UHFFFAOYSA-N 319.369 -0.025 30 20 DBED CCNC(=O)CCC(=O)NC/C=C\CN=c1cc[nH]c(C#N)n1 1107083410 ZNYOGXGVPXMIAF-ARJAWSKDSA-N 316.365 -0.229 30 20 DBED C=C[C@](C)(CC)C(=O)NCc1cn(C2CN(CC(N)=O)C2)nn1 1107207427 YATLZYXXBCIFFB-OAHLLOKOSA-N 320.397 -0.161 30 20 DBED C#CCNC(=O)CN1CCO[C@@](C)(CNC(=O)C(C)(C)F)C1 1107683590 PXVLYESPJZUHTJ-HNNXBMFYSA-N 313.373 -0.309 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)c2cnc(OC)nc2)C1 1108321498 YEYCHVUROUNUBC-HNNXBMFYSA-N 304.350 -0.061 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)CN(C)C(C)=O)CC2=O)C1 1108510698 CGTQFDCHEZGESE-GFCCVEGCSA-N 308.382 -0.948 30 20 DBED C[C@H](CN(C)c1ccc(C#N)nn1)NC(=O)CN1CCCC1=O 1108849915 JSRSJRHOMFMGBV-LLVKDONJSA-N 316.365 -0.088 30 20 DBED C[C@H](CN(C)c1ncnc2c1nnn2C)NC(=O)[C@H](C)C#N 1108880168 NYVZWEBMUGQNAD-RKDXNWHRSA-N 302.342 -0.141 30 20 DBED C[C@@H](CN(C)c1ccnc(C#N)n1)NC(=O)[C@H]1COCCN1C 1108943433 RSWSMIFELIMGME-NWDGAFQWSA-N 318.381 -0.380 30 20 DBED C[C@@H](CN(C)c1ccc(C#N)nn1)NC(=O)[C@H]1CCN(C)C1=O 1109184352 XVKLYBOINMFPIY-CMPLNLGQSA-N 316.365 -0.233 30 20 DBED C[C@H](CN(C)c1cnc(C#N)cn1)NC(=O)[C@]1(C)CCC(=O)N1 1109243279 VIFBQBKJGFCFGA-BMIGLBTASA-N 316.365 -0.042 30 20 DBED CN1C[C@H](C(=O)NCC2(Nc3cnc(C#N)cn3)CC2)CC1=O 1110380932 MKSATUGCQOWNJK-SNVBAGLBSA-N 314.349 -0.113 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NC(N)=O 1111488712 SJKYTARENGGDMA-QCNOEVLYSA-N 324.381 -0.506 30 20 DBED COCC(=O)NCCC(=O)N[C@]12CCC[C@H]1CN(CC#N)C2 1111768915 FQGSODMZLXPMOY-WFASDCNBSA-N 308.382 -0.367 30 20 DBED N#Cc1nccc(NC2(CNC(=O)[C@H]3CNC(=O)N3)CCC2)n1 1111890979 SVRSMQCTJWVODR-SECBINFHSA-N 315.337 -0.520 30 20 DBED CCCCO[C@H](C)C(=O)N1CCN(CC(=O)NCC#N)CC1 1112676500 NRBDCSJPASTJKT-CYBMUJFWSA-N 310.398 -0.024 30 20 DBED C#CCO[C@H](C)C(=O)N1CCN(CCS(C)(=O)=O)CC1 1112844773 FSYXVZWXZNLNCQ-GFCCVEGCSA-N 302.396 -0.787 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)c2ccncn2)CC1 1113442668 ASUJCCQTUVNUEV-LBPRGKRZSA-N 301.350 -0.628 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)c3ccc(C)nn3)[C@@H]2C1 1114246482 UFYODUTVTSQFAY-VXGBXAGGSA-N 313.361 -0.806 30 20 DBED C#CCN1C[C@H]2[C@H](NC(=O)CCNC(=O)[C@@H]3CCCO3)[C@H]2C1 1115350336 RKDGXYNYBTYLST-SFDCQRBFSA-N 305.378 -0.649 30 20 DBED C[C@@H](CN(C)C(=O)c1nccnc1N)N=c1cc[nH]c(C#N)n1 1115689993 BHQSXGIPWKJGEZ-VIFPVBQESA-N 312.337 -0.285 30 20 DBED C[C@@H](CN(C)C(=O)[C@H]1COC(=O)N1)Nc1cnc(C#N)cn1 1115702254 DMJOQDCTSVDXRO-WCBMZHEXSA-N 304.310 -0.285 30 20 DBED C[C@@H](CN(C)C(=O)[C@@H]1CCC(=O)N1)Nc1ccc(C#N)nn1 1115787905 MWWPXEPOFZIAFV-ONGXEEELSA-N 302.338 -0.114 30 20 DBED C[C@H]1C(=O)NCCN1C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1116040827 YKZYJBNJCCYOAJ-QYARFRDLSA-N 321.337 -0.957 30 20 DBED C=C[C@@H](COC)NC(=O)Nc1nc(CS(C)(=O)=O)no1 1116617762 VYFWTJGSZMGDLP-ZETCQYMHSA-N 304.328 -0.063 30 20 DBED C[C@@H]1C[C@H](NC(=O)C(=O)NCCNc2ncccc2C#N)CO1 1118146315 XIEGZTZROXXTJU-PWSUYJOCSA-N 317.349 -0.225 30 20 DBED N#Cc1nc(=N[C@H](CO)CNC(=O)C2[C@@H]3CCC[C@@H]23)cc[nH]1 1121266592 WQHGLRLJAZPSCS-HBNTYKKESA-N 301.350 -0.295 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H](CO)CNC(=O)C[C@@H]1CCOC1 1121399133 MBJCHEYXOALFDN-WCQYABFASA-N 304.350 -0.309 30 20 DBED N#Cc1cnc(N[C@H](CO)CNC(=O)Cc2cc[nH]n2)cn1 1121399924 SADIGQKACMXNRO-NSHDSACASA-N 301.310 -0.797 30 20 DBED C=CCn1c(C2=NNC(=O)C2)nnc1N1CCN(C)C(=O)[C@@H]1C 1121662897 IIAJOHMLINFHPZ-VIFPVBQESA-N 317.353 -0.645 30 20 DBED N#Cc1c(F)cccc1N[C@H](CO)CNC(=O)Cn1nccn1 1122098149 KKIDRCGFWCRPFC-JTQLQIEISA-N 318.312 -0.122 30 20 DBED Cc1ncc(C(=O)NC[C@@H](CO)N=c2cc[nH]c(C#N)n2)n1C 1122405418 NGJIOTIFQWFQPH-JTQLQIEISA-N 315.337 -0.985 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)C1=CCOCC1 1124255994 CIMYMBCARXGCIB-LBPRGKRZSA-N 317.349 -0.652 30 20 DBED CN(C[C@H](O)CNc1ccc(C#N)nn1)C(=O)Cc1ncc[nH]1 1124483526 MDRPIJBOSCFFBS-LLVKDONJSA-N 315.337 -0.455 30 20 DBED CN(C[C@H](O)CNc1ncccc1C#N)C(=O)C1(C(N)=O)CC1 1124698841 KIAQWTVISZOPMS-LLVKDONJSA-N 317.349 -0.550 30 20 DBED N#CCNCc1nnc2n1CC[C@@H](NC(=O)c1cnon1)CC2 1128049108 RIMDOKKFXRXXGI-VIFPVBQESA-N 316.325 -0.591 30 20 DBED C=CC(C)(C)C(=O)NCCNCc1cc(=O)n(C)c(=O)n1C 1132398925 VARMIXMNBJXUAR-UHFFFAOYSA-N 308.382 -0.498 30 20 DBED C#CCNC(=O)CN1C[C@H](NC(=O)c2ccn(C)n2)CC[C@H]1C 1132482684 YFRDOZTVGUZUFB-CHWSQXEVSA-N 317.393 -0.248 30 20 DBED Cc1c(C(=O)N[C@H](C)C[C@@H](C)NCC(=O)NCC#N)cnn1C 1133708241 RQNDQEZSNNUNFM-GHMZBOCLSA-N 320.397 -0.145 30 20 DBED C[C@@H](C[C@@H](C)NCC(=O)NCC#N)NC(=O)c1ccnc(O)c1 1134073453 RTQKWDCFBYPYON-MNOVXSKESA-N 319.365 -0.087 30 20 DBED C=CCCN[C@H](C)C[C@H](C)NC(=O)CNC(=O)CNC(C)=O 1134769025 IEXPMVNGNYXUOR-NEPJUHHUSA-N 312.414 -0.312 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NCCN[C@H](C)C(=O)NC1CC1 1134821135 LDQVYLJGZOHYEB-RISCZKNCSA-N 324.425 -0.170 30 20 DBED C=CCN[C@@H](C)C[C@H](C)NC(=O)c1c[nH]nc1S(N)(=O)=O 1135460625 PRHAQDIXOQEAGB-IUCAKERBSA-N 315.399 -0.270 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)c1c[nH]nc1S(N)(=O)=O)NCC#N 1135460992 VVUPLKXWDDWLHL-JGVFFNPUSA-N 314.371 -0.933 30 20 DBED CCO[C@H](CC)C(=O)N1CC2(CCN(CC(=O)NCC#N)C2)C1 1147094842 MNXIAHUXTNAJBW-CYBMUJFWSA-N 322.409 -0.024 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1c2c(nn1C)CCC2 1147633931 BDMQVHLKZSZDNF-LLVKDONJSA-N 317.393 -0.634 30 20 DBED CC(C)NC(=O)CN1CCCO[C@@H](CNC(=O)[C@@H](C)C#N)C1 1149409164 UCGWRVCHALBDBV-STQMWFEESA-N 310.398 -0.122 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN([C@@H]2CCCNC2=O)CCCO1 1149693805 CHMCEBDFEVYKHL-LSDHHAIUSA-N 319.405 -0.115 30 20 DBED C#CCNC(=O)CN1CCCO[C@H](CNC(=O)[C@H]2CC23CC3)C1 1150363021 JJOGXRLHEDYLOE-ZIAGYGMSSA-N 319.405 -0.257 30 20 DBED COCC#CCNCCNC(=O)c1cccc(-n2cnnn2)c1 1150662721 MOVNBZUWTNGPGF-UHFFFAOYSA-N 314.349 -0.369 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)c2c[nH]c(C(N)=O)c2)C1=O 1151174617 WMSVIXIENKMWHP-LLVKDONJSA-N 319.365 -0.780 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)NCCNCC(=O)N(C)C 1152399602 ZZICSWFJDZYJMK-UHFFFAOYSA-N 313.402 -0.956 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)Cc1ccnn1C 1157236822 KJOSYLBSALYIMZ-LBPRGKRZSA-N 305.382 -0.804 30 20 DBED CC#CCNCCCNC(=O)CN1CCCCS1(=O)=O 1162637739 WGQDRQFZAKYQJC-UHFFFAOYSA-N 301.412 -0.469 30 20 DBED CC#CCCCC(=O)NCCCNCCNS(C)(=O)=O 1164251770 SPIFZRUXGMDHPA-UHFFFAOYSA-N 303.428 -0.175 30 20 DBED C=CCNC(=O)NC(=O)CNCCCNC(=O)Cc1cnc[nH]1 1167355548 OYKXGZWXJGOXGI-UHFFFAOYSA-N 322.369 -0.940 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)CCN1CCCC1=O 1176342099 FQQHEZWKNCQSAZ-CYBMUJFWSA-N 322.409 -0.767 30 20 DBED C[C@@]1(CCC(=O)NCCCNCC(=O)NCC#N)CCC(=O)N1 1177615518 ZRLYOTXVLZFYDI-OAHLLOKOSA-N 323.397 -0.829 30 20 DBED C#CCN[C@H]1CCN(C(=O)CS(=O)(=O)CCOC)[C@H]1C 1179019371 UCPJWAKYFNEJJV-RYUDHWBXSA-N 302.396 -0.740 30 20 DBED C=CCNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)C(C)(C)F)C1 1180643362 UWVBQZIFAYVAPW-SNVBAGLBSA-N 314.361 -0.063 30 20 DBED C#CCNC[C@]1(C)CN(C(=O)CC[C@H]2NC(=O)NC2=O)C[C@H]1C 1183349052 UZXXWYPFQZKUGD-XHBSWPGZSA-N 320.393 -0.318 30 20 DBED CC[C@@H](C)OCC(=O)N1CC[C@H]2CN(CC(=O)NCC#N)C[C@H]21 1187546144 DGAXOPKKYPQVBP-HZSPNIEDSA-N 322.409 -0.026 30 20 DBED C=CCCN[C@@H]1CCN(C(=O)CN2CCS(=O)(=O)CC2)C1 1187805487 ZHPYWMJZLSTZNE-CYBMUJFWSA-N 315.439 -0.517 30 20 DBED C#CCCN1C[C@@H]2CCN(C(=O)CN(C)C(=O)COC)[C@@H]2C1 1188124277 FMZHSZWRIJBPMK-UONOGXRCSA-N 307.394 -0.353 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)[C@H]2CC(=O)N(C)C2)C1 1190445731 ZWRZWBZZRPQEED-STQMWFEESA-N 322.409 -0.700 30 20 DBED CN(CC(=O)NCC#N)[C@H]1CCN(C(=O)[C@]2(F)CCOC2)C1 1191948434 NDSDJQABUJCSAW-FZMZJTMJSA-N 312.345 -0.713 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@@H]1CCN(C(=O)CCCN(C)C)C1 1192046281 MGUAHGQPJJWJIG-HUUCEWRRSA-N 322.453 -0.001 30 20 DBED CC#CCN(C)[C@H]1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)C1 1192632850 SYWROIQRRRNHNP-LBPRGKRZSA-N 318.377 -0.746 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)CCc2ccncn2)C1 1193391372 NRSAAOWBMYRKKY-HUUCEWRRSA-N 320.393 -0.227 30 20 DBED CN(CC(=O)NCC#N)[C@H]1CCN(C(=O)CN2CCCC2)C1 1194028433 ZQYMHQIBISTLND-ZDUSSCGKSA-N 307.398 -0.745 30 20 DBED C=C[C@](C)(CC)C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1O 1195932849 YDRUWZNDPUPABQ-LALPHHSUSA-N 308.382 -0.610 30 20 DBED C[C@@H](C(=O)N1CCCN(CC(=O)NCC#N)CC1)[C@H]1CCCO1 1197076850 LWJHKAPPAQFQAM-ZIAGYGMSSA-N 322.409 -0.024 30 20 DBED CCC1(C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@H]2O)CCCC1 1197404652 TZLSXAIABCUXIB-CHWSQXEVSA-N 322.409 -0.242 30 20 DBED C=CCCC(=O)N1CCCO[C@H](CN[C@@H]2CCC(=O)NC2=O)C1 1200083147 AXESKLSTOJRDKE-CHWSQXEVSA-N 323.393 -0.035 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)c2cnnn2CC)CC1 1200390317 VLHAFZTYRMQXRY-UHFFFAOYSA-N 318.381 -0.758 30 20 DBED CC[C@@]1(C(=O)N2CCCO[C@@H](CNCC#N)C2)CCNC1=O 1200720794 DBZRKRWYBDIJIV-SWLSCSKDSA-N 308.382 -0.367 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)C2CC(OC)C2)CC1 1201175056 QPFSCNYVNMNHAZ-UHFFFAOYSA-N 307.394 -0.259 30 20 DBED CC#CCN[C@H]1C[C@@H](NC(=O)c2nnc(O)nc2O)C12CCC2 1203132814 PKYQAGCXYKGIJJ-VHSXEESVSA-N 317.349 -0.063 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(CCN2C(=O)CNC2=O)C[C@H]1C 1206947218 KUVFMFXCKIGWPB-CHWSQXEVSA-N 320.393 -0.366 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)CC(=O)NC)C1 1207901913 GBHAUVRQPZQDAR-VXGBXAGGSA-N 310.398 -0.606 30 20 DBED COCc1noc(CN2C[C@@H](NC(=O)[C@@H](C)C#N)[C@H](OC)C2)n1 1212039374 KYSMEMBITUUDNX-HBNTYKKESA-N 323.353 -0.309 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2[nH]ccc2C)[C@H](OC)C1 1212191367 FKVLKRQOZOFPPQ-CHWSQXEVSA-N 318.377 -0.498 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@@]1(CC(C)C)CCNC1=O 1212426253 URZMHGHQINCFAL-XJKCOSOUSA-N 322.409 -0.122 30 20 DBED CC#CCN[C@@H]1CN(C(=O)[C@@H](C)NS(C)(=O)=O)C[C@H]1C 1215685027 MPHMMZYEJKWUSB-IJLUTSLNSA-N 301.412 -0.616 30 20 DBED C=CCCC(=O)N1CCO[C@@H]2CN(Cc3nc(=O)n(C)[nH]3)C[C@@H]21 1217475932 MREYYGWAVKIXIB-NWDGAFQWSA-N 321.381 -0.514 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(CC(=O)N(C)C(C)C)C[C@@H]1O 1219532346 VIYKPOXWGJNCAJ-KGLIPLIRSA-N 309.410 -0.182 30 20 DBED CC#CCN1CC[C@@H]2CN(C(=O)CCS(=O)(=O)NC)[C@@H]2C1 1221547845 XVNIGCFFIOWLSK-CHWSQXEVSA-N 313.423 -0.518 30 20 DBED CC[C@H](OC)C(=O)NCC1CCN(CC(=O)NCC#N)CC1 1222573528 GKLFFKWYEQXAMG-ZDUSSCGKSA-N 310.398 -0.121 30 20 DBED COCC#CCN1CCC(CNC(=O)[C@H]2COC(=O)N2)CC1 1223013481 ZRASBGSPKPLZCK-CYBMUJFWSA-N 309.366 -0.427 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC(NC(=O)c2cn[nH]c2)CC1 1226252497 LAQLXSNUEGHHPL-LLVKDONJSA-N 303.366 -0.258 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)c2c[nH]c(=O)cn2)CC1 1228864515 LDIBDCNJNDXDIF-UHFFFAOYSA-N 319.365 -0.734 30 20 DBED C=C(C)CCC(=O)NCC[C@@H]1CN(CCO)CCS1(=O)=O 1230466993 FCISEQXKWDBPPT-CYBMUJFWSA-N 318.439 -0.060 30 20 DBED CN(C[C@@H]1CCN1CC(=O)NCC#N)C(=O)Cc1cccnc1 1233706666 NZEKPEKSZRUIBJ-AWEZNQCLSA-N 315.377 -0.203 30 20 DBED CC[C@@H](CC#N)NC(=O)C(=O)Nc1cnn(CC(=O)N(C)C)c1 1320887846 ICPHTQZWXMOOKS-JTQLQIEISA-N 320.353 -0.282 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CCO[C@@]2(CCO[C@H]2C)C1 1324237766 YMSAZQOPKXQVJT-ZOWXZIJZSA-N 312.366 -0.290 30 20 DBED C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)cn1)[C@@H]1CN(C)CCO1 1324503596 WVYVLUYBLMVHQH-PWSUYJOCSA-N 317.349 -0.273 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N2CC(F)(F)C(F)(F)C2)CCO1 1324889928 JNDRBZYYGWWATJ-SSDOTTSWSA-N 309.219 -0.150 30 20 DBED COc1cncc(NC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)n1 1326518587 KGEYEDNKKSYIGO-ZDUSSCGKSA-N 305.294 -0.699 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)NCc1nnc2n1CCCC2 1327226747 OLCPZRZLNKRFPM-JTQLQIEISA-N 307.354 -0.452 30 20 DBED C#CCCCCNC(=O)C(=O)NCc1nc(C(N)=O)cs1 1328954571 SYTBNCQHXJTFOD-UHFFFAOYSA-N 308.363 -0.222 30 20 DBED CC(C)(O)C1CN(C(=O)C(=O)N2CCN(CCC#N)CC2)C1 1332056270 HCJWABXODHTHCY-UHFFFAOYSA-N 308.382 -0.726 30 20 DBED C=CCC1(O)CCN(C(=O)C(=O)NCC[S@@](=O)CC)CC1 1332118966 JKPWNLNPOAMIGH-NRFANRHFSA-N 316.423 -0.199 30 20 DBED C#CCN(C(=O)C(=O)N[C@H](C)CS(=O)(=O)CC)C(C)C 1332702132 YPMPJYQNHICRBH-LLVKDONJSA-N 302.396 -0.204 30 20 DBED C#CCN1CCC[C@H](NC(=O)N2CC[C@@H](S(C)(=O)=O)C2)C1 1333216729 YBYXKTBSOCIYJX-QWHCGFSZSA-N 313.423 -0.088 30 20 DBED CC(C)(C)n1cc(NC(=O)C(=O)NCC(=O)NCC#N)cn1 1342537840 HDBRUHOGDAXUMT-UHFFFAOYSA-N 306.326 -0.667 30 20 DBED CN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(C#N)cn2)C1=O 1343925482 FIXYLVMIXDYSAA-JTQLQIEISA-N 301.306 -0.419 30 20 DBED C#CCNC(=O)C1CCN(c2nnnn2[C@@H]2C[C@]2(C)OC)CC1 1344935663 KBCUNHWZPQAZJE-DOMZBBRYSA-N 318.381 -0.011 30 20 DBED N#C[C@]1(F)CCN(C(=O)C(=O)N[C@@H]2CCn3ccnc3C2)C1 1347086461 URIMVZWGRFNGDT-QMTHXVAHSA-N 305.313 -0.222 30 20 DBED N#CCCC[C@H](N)C(=O)N1CCC[C@@H](N2CCNCC2=O)C1 1349170440 RWGFLOZIHPWQAK-OLZOCXBDSA-N 307.398 -0.570 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N[C@H]1CCN(C(=O)CC)C1 1349334122 GXEWCLPVVGNZNU-STQMWFEESA-N 323.393 -0.342 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)NCc2nc3c(s2)CCC3)CCO1 1351571365 JUMGSUCUHJHXFX-VIFPVBQESA-N 320.374 -0.001 30 20 DBED CC(C)N1CCN(CCCC(=O)NCC(=O)NCC#N)CC1 1354017860 ALQZVDCYRFHPDK-UHFFFAOYSA-N 309.414 -0.451 30 20 DBED C#C[C@H](C)N(C)c1nnc(CC[C@]2(C)NC(=O)NC2=O)n1C 1355247515 KZMGVNMLJUDTBM-XPTSAGLGSA-N 304.354 -0.196 30 20 DBED CC(=O)N1C[C@H]2CN(C(=O)C(=O)N3CC[C@](F)(C#N)C3)C[C@H]2C1 1356277569 WXFQMJIHIKIJIP-ZOWXZIJZSA-N 322.340 -0.613 30 20 DBED CC(C)C[C@H](CO)NC(=O)CCn1cc(C#N)c(O)nc1=O 1363219311 QHDJKLQQULGMGJ-LLVKDONJSA-N 308.338 -0.266 30 20 DBED N#Cc1c[nH]c(=O)n(CC(=O)NCc2ccccc2F)c1=O 1364284012 HGSLWGXKEXMRNP-UHFFFAOYSA-N 302.265 -0.136 30 20 DBED C[C@H](C#N)C(=O)N1CCN(Cc2cc(=O)n3nccc3[nH]2)CC1 1365686684 CUJFKTGILFILGO-LLVKDONJSA-N 314.349 -0.174 30 20 DBED C=C(Cl)CN[C@@H](C)CNC(=O)Cn1ccc(O)nc1=O 1366300363 WIHKBPSTESQOPY-VIFPVBQESA-N 300.746 -0.204 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(N(CCO)C(=O)c2cc[nH]n2)CC1 1371829437 ISDGAQJCEMVRHC-NSHDSACASA-N 319.365 -0.005 30 20 DBED CC(C)CN1C[C@H](C(=O)N2CC(NC(=O)[C@H](C)C#N)C2)CC1=O 1374751427 RKFWZXKJXLAXFG-VXGBXAGGSA-N 320.393 -0.022 30 20 DBED CC[C@@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)c1cnn[nH]1 1375039240 PJNMMGWUKFNLHO-VIFPVBQESA-N 301.310 -0.057 30 20 DBED COCc1nn(C)cc1C(=O)N[C@@H](C)CNC(=O)[C@@H](C)C#N 1377744786 SRNKMTWJOBSOHX-UWVGGRQHSA-N 307.354 -0.039 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)C[C@H]2CCC(=O)NC2)C1 1385938798 DPJLNMCVGHJJJS-DDHJBXDOSA-N 306.366 -0.174 30 20 DBED CC[C@@H](CNC(=O)c1ccc2nnnn2c1)NC(=O)[C@@H](C)C#N 1399015830 BPZBQHDPRGJDOW-ONGXEEELSA-N 315.337 -0.091 30 20 DBED CC(C)(C)OC(=O)[C@@H]1CS(=O)(=O)CCN1C[C@H](O)CC#N 1412995967 RAUOCWXDWNVNLK-MNOVXSKESA-N 318.395 -0.298 30 20 DBED CC1(C)OCC(NC(=O)Cn2cc(C#N)c(O)nc2=O)CO1 1417707768 KVZXNOXKNTWEFA-UHFFFAOYSA-N 308.294 -0.912 30 20 DBED C[C@@H](CNC(=O)CN(C)C(=O)C1CC1)N(C)C(=O)[C@H](C)C#N 1424191475 ZFLLXKNGQSRRGD-MNOVXSKESA-N 308.382 -0.022 30 20 DBED N#Cc1cn(CCC(=O)N2CCCC[C@@H]2CO)c(=O)nc1O 1433602414 FFUDVKFLQXMHDD-LLVKDONJSA-N 306.322 -0.416 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(Cc2nnc3n2CCOC3)CC1 1434854708 BYJXGTFFYGXMRV-NSHDSACASA-N 304.354 -0.388 30 20 DBED Cc1nnc(CNC[C@H](O)CNC(=O)c2cc(C#N)c[nH]2)s1 1438981779 NJKUMDBKKGJRDG-JTQLQIEISA-N 320.378 -0.073 30 20 DBED CC(C)(C)OC(=O)Cn1cc(C(=O)N2CCO[C@H](C#N)C2)nn1 1443308722 CCZUEBQZYBIFST-SNVBAGLBSA-N 321.337 -0.016 30 20 DBED CCN1CCOC[C@@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@H](C)C#N)C1 1445952537 COYGNDJCIXFWMN-YIYPIFLZSA-N 322.409 -0.122 30 20 DBED CC(C)[C@@H](C)NC(=O)CN1CC(O)(CNC(=O)[C@@H](C)C#N)C1 1446829907 SGPADDOFCQMDNW-NWDGAFQWSA-N 310.398 -0.530 30 20 DBED Cc1nc(CC(=O)NC[C@H](NC(=O)[C@@H](C)C#N)C2CC2)n[nH]1 1447136606 NYXQBTJRXBBAPS-KWQFWETISA-N 304.354 -0.174 30 20 DBED CCS(=O)(=O)NCC(=O)N(C)C[C@H](C)NC(=O)[C@H](C)C#N 1451090095 SAVASNQHTOALPD-ZJUUUORDSA-N 318.399 -0.952 30 20 DBED CC(=O)NCC(=O)N1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)[C@H]1C 1451602760 ZHCPSADPQIAOSU-RNCFNFMXSA-N 317.349 -0.258 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CCCN(C(=O)CNC(=O)C2CC2)C1 1453868437 JGYQQPOEAAFUKU-JQWIXIFHSA-N 306.366 -0.221 30 20 DBED CN(C[C@H](O)CNC(=O)c1c[nH]c(C#N)c1)C(=O)c1cocn1 1488339648 SKDHEXFVAZWXJK-LLVKDONJSA-N 317.305 -0.263 30 20 DBED Cc1cc(C(=O)N(C)CCNC(=O)[C@@H](C)C#N)ncc1C(N)=O 1496501145 ODRZIYNJAXYGMO-JTQLQIEISA-N 317.349 -0.163 30 20 DBED C[C@H](C#N)C(=O)N1CCN(CCNC(=O)Cn2cccn2)CC1 1524061162 CTCRJMQISASQFY-CYBMUJFWSA-N 318.381 -0.697 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNc1ccc(-c2nn[nH]n2)cn1 1573577250 OGNMPFVRBLEQGD-WCBMZHEXSA-N 316.325 -0.690 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](NC(=O)CCOCc2cnn[nH]2)C1 1575047879 GHMHHEHUPHRDGW-KGLIPLIRSA-N 323.397 -0.161 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3cnn[nH]3)nc2)C1 1575103931 KJXRKKLSXRGXOI-ZIAGYGMSSA-N 314.349 -0.172 30 20 DBED N#Cc1nc(N2CCO[C@@H]3COCC[C@@H]32)cnc1-c1nn[nH]n1 1581879270 DSMOAZUKCZCDMN-VHSXEESVSA-N 314.309 -0.478 30 20 DBED C#CC[C@H](NC(=O)COCc1ocnc1C(=O)OC)C(=O)O 1588404975 JDDIRBUSZGGBFV-QMMMGPOBSA-N 310.262 -0.430 30 20 DBED C#CC[C@H](NC(=O)CCN/C(O)=C1/N=CC=CC1=O)C(=O)O 1588405537 RHGSFNJIGVOKBO-LZTQFINJSA-N 305.290 -0.504 30 20 DBED C#CC[C@@H](NS(=O)(=O)CCCN1CCN(C)CC1)C(=O)O 1588423435 HBKXOHSNTGGZLH-GFCCVEGCSA-N 317.411 -0.980 30 20 DBED C=C(C)C[C@H](NC(=O)c1cn(CC(=O)O)nn1)C(=O)OCC 1588441009 BTBOMBVIXZMEHK-VIFPVBQESA-N 310.310 -0.010 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)NCCC(=O)NCCC(=O)O 1588546796 CTVXJWHDBGNMKM-LLVKDONJSA-N 313.354 -0.446 30 20 DBED C=C(CCC(=O)OC)C(=O)N1C[C@@H](C(=O)O)[C@H](C(=O)OC)C1 1588633897 UFINACGQGGVRAR-NXEZZACHSA-N 313.306 -0.172 30 20 DBED CS(=O)(=O)CCCCNc1cnc(C#N)c(-c2nn[nH]n2)n1 1591674592 KCLXVELQBQNDEM-UHFFFAOYSA-N 322.354 -0.235 30 20 DBED N#CCc1cccc(NC(=O)Cn2cnc(-c3nn[nH]n3)n2)n1 1592680062 MLMFGPHVZDYINP-UHFFFAOYSA-N 310.281 -0.442 30 20 DBED N#Cc1nc(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)[nH]c1-c1nn[nH]n1 1592682939 IGDUNTHBRKKMEG-JKMUOGBPSA-N 300.282 -0.033 30 20 DBED N#Cc1ncc(N[C@@H](CO)[C@@H]2CCOC2)nc1-c1nn[nH]n1 1592710747 XVUKHBAPDRVAPH-APPZFPTMSA-N 302.298 -0.662 30 20 DBED CCN(CCNC(=O)[C@@H]1C[C@H]1C(=O)O)C(=O)CSCC#N 1596333135 NIEUJJDTJDJZBN-NXEZZACHSA-N 313.379 -0.071 30 20 DBED C#C[C@H](CO)NC(=O)[C@@H](CCC(=O)O)NC(=O)OC(C)(C)C 1602671501 VIDOOCSRLMRRMB-NXEZZACHSA-N 314.338 -0.145 30 20 DBED CC(C)(C)CC(=O)Cn1c(=O)c(C#N)cn(CC(=O)O)c1=O 1602860106 VUFGXNQZCYGIGB-UHFFFAOYSA-N 307.306 -0.028 30 20 DBED C[C@H](C#N)C(=O)NC[C@@]1(O)CCN(c2ccnc(C(=O)O)n2)C1 1603130548 YFMYLOZPJKPTSC-OTYXRUKQSA-N 319.321 -0.608 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)NCCCCCC(=O)O)CCO1 1611291433 ZWTNDIZAXGANBG-SNVBAGLBSA-N 305.356 -0.310 30 20 DBED C#CCNC(=O)CN1CCC[C@@H](NC(=O)C[C@H](C)COC)C1 1731355152 MGDHPZKRBSQICK-UONOGXRCSA-N 309.410 -0.011 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2cc(=O)c(OC)c[nH]2)C1 1752393695 VTAQEFNMHLQAHD-LBPRGKRZSA-N 319.361 -0.163 30 20 DBED Cc1c[nH]c(C(=O)NC2CCC(NCC(=O)NCC#N)CC2)n1 1752852318 GPVKFSHZYNQZRL-UHFFFAOYSA-N 318.381 -0.012 30 20 DBED C[C@@H](C(=O)NCCN(C)CC(=O)NCC#N)N1CCCCCC1 1753067180 ZOVJWNRIMQZOQT-AWEZNQCLSA-N 323.441 -0.061 30 20 DBED C=CCNC(=O)NC(=O)CN1CC(NC(=O)C2(CC)CC2)C1 1753386581 JAGKFXUWBHBNFB-UHFFFAOYSA-N 308.382 -0.011 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1CN([C@@H](C)C(=O)NCCC)C1 1753402659 AANSYRCPNQKOHS-STQMWFEESA-N 309.410 -0.013 30 20 DBED COCC#CCN1CCO[C@@H](CNC(=O)c2[nH]nnc2C)C1 1753652049 ZIRZCHWHBNFSJD-LBPRGKRZSA-N 307.354 -0.806 30 20 DBED C=CCN[C@@H]1CCN(C(=O)CNS(=O)(=O)N(C)C)C[C@@H]1C 1753760036 GEXFWPRSLKBXED-NWDGAFQWSA-N 318.443 -0.605 30 20 DBED C#CCNC[C@@H]1[C@H](C)CCCN1C(=O)CN(C)C(=O)COC 1753815569 AHJFMAQKONPFDU-ZIAGYGMSSA-N 309.410 -0.059 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(CC)CCNCc1nnn(C)n1 1754067922 OORPGQDLMOWSEK-NEPJUHHUSA-N 308.386 -0.261 30 20 DBED C=CCNC(=O)[C@@H](C)NC/C=C\CNC(=O)C1=COCCO1 1754092239 KAFWNVXQEMQAFJ-QMAVJUDZSA-N 309.366 -0.173 30 20 DBED C=CCCC(=O)NC/C=C\CNCC(=O)N1CCNC(=O)C1 1754100944 DRYHQLYDJWNGBA-PLNGDYQASA-N 308.382 -0.827 30 20 DBED C=CCNC(=O)[C@@H](C)NC/C=C\CNC(=O)[C@H]1CCC(=O)N1C 1754162547 XVMKLHOLHVBRSC-NTQVKLLNSA-N 322.409 -0.440 30 20 DBED C=CCN1CC[C@H](NC/C=C/CNC(=O)Cc2nc[nH]n2)C1=O 1754194872 ZGXMYNHLKWXNOT-PCAWENJQSA-N 318.381 -0.604 30 20 DBED C=CCNC[C@@H]1CCCC[C@@H]1NC(=O)CN1CCNC(=O)C1 1754347259 WXLLHGOIRUXZPO-KBPBESRZSA-N 308.426 -0.131 30 20 DBED N#CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)CCCN1C(=O)CCC1=O 1754424814 FLPQJWQUSQRJKJ-ZETOZRRWSA-N 304.350 -0.372 30 20 DBED COCC#CCN1CCC[C@@](C)(CNC(=O)[C@@H]2CCNC2=O)C1 1754735736 JJMUFEXJLMFGMC-PBHICJAKSA-N 321.421 -0.009 30 20 DBED C#CCOCCC(=O)NC[C@@]1(O)CCN(Cc2ccnn2C)C1 1754751731 SKANYANGXPWEOG-INIZCTEOSA-N 320.393 -0.487 30 20 DBED Cc1cn2c(n1)C[C@@H](C(=O)NC[C@@]1(O)CCN(CC#N)C1)CC2 1754752273 FHHOXLUCTQZHTK-BBRMVZONSA-N 317.393 -0.170 30 20 DBED C=CCNC(=O)CNC1(CNC(=O)[C@H]2CCC(=O)N2C)CCC1 1754984952 CTUCCBPTJQAMBZ-GFCCVEGCSA-N 322.409 -0.462 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCO[C@H](CNCc2cnnn2C)C1 1754999364 HAGMFKSYONIBQS-UKRRQHHQSA-N 323.397 -0.541 30 20 DBED C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CCO[C@@H](CNCC#N)C1 1755006664 DCEUOLJKRRNQDE-NEPJUHHUSA-N 310.398 -0.122 30 20 DBED C#CCCNCC1(O)CCN(C(=O)[C@@H]2CCCC(=O)N2C)CC1 1755156117 LWTWLPPHOCQKDA-AWEZNQCLSA-N 321.421 -0.036 30 20 DBED C[C@H]1C[C@H](NC(=O)CCCC(N)=O)CCN1CC(=O)NCC#N 1755166535 YOWYGURGPBMJTF-NWDGAFQWSA-N 323.397 -0.749 30 20 DBED C#CCN[C@H](C)[C@@H]1CN(C(=O)c2cnc(N(C)C)cn2)CCO1 1755441288 DKEYTKYBXICSBD-OCCSQVGLSA-N 317.393 -0.005 30 20 DBED CC#CCNCCC[C@@H](C)NC(=O)[C@@H]1CCS(=O)(=O)N1 1755533807 NJWIWUUXDKOQNX-NEPJUHHUSA-N 301.412 -0.424 30 20 DBED C#CCCCC(=O)N1C[C@@H]2C(CNC(=O)CNC(=O)OC)[C@H]2C1 1756192808 SFLQMAFSJZONIL-CHWSQXEVSA-N 321.377 -0.034 30 20 DBED C=CCOCC(=O)N(C)C[C@H](C)NC(=O)c1cc(=O)n(C)cn1 1756438283 KQUCVMNZOUGJDG-NSHDSACASA-N 322.365 -0.440 30 20 DBED C#Cc1ccc(C(=O)N[C@H](CO)CNC(=O)CCOC)cc1 1756501126 LHIRMQJZEPBLJS-AWEZNQCLSA-N 304.346 -0.089 30 20 DBED Cn1ncc(C(=O)N[C@@H](CO)CNC(=O)C#CC2CC2)c1Cl 1756519976 RTMKKJITAFUSEX-SNVBAGLBSA-N 324.768 -0.306 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@H](CO)CNC(=O)c1cccnn1 1756544893 HJMHBIAQDITDKK-IINYFYTJSA-N 308.338 -0.989 30 20 DBED C=CCCOCC(=O)N[C@@H]1CCN(C(=O)c2nnn(C)n2)[C@H]1C 1756570384 NXHXWXBGTBTNIZ-WDEREUQCSA-N 322.369 -0.478 30 20 DBED C#CCOCCC(=O)N[C@H]1CCCN(C(=O)CC(=O)NC)[C@@H]1C 1756624359 KEQBHNUUYBEWNT-OLZOCXBDSA-N 323.393 -0.342 30 20 DBED COC1CC(C(=O)N2C[C@H](O)[C@H](NC(=O)C#CC(C)C)C2)C1 1757171540 WLTCSWYCTPQXEE-PQAZSJQKSA-N 308.378 -0.241 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(O)no1)CCO2 1783053683 BMGYHXWNNKYDBF-CQSZACIVSA-N 305.290 -0.543 30 20 DBED CNCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC#N)[C@H]2C1 1786365146 AWHWUESHVDJFDG-IHRRRGAJSA-N 322.409 -0.121 30 20 DBED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3[C@H]4COC[C@H]43)[C@H]2C1 1791840330 ICPJMYMRMCXKLY-SFYOKDCNSA-N 318.373 -0.508 30 20 DBED N#CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN)C3)CCC1 1801979850 MHFKMRDPKNQMKL-PTEHBNRSSA-N 306.366 -0.771 30 20 DBED C#CC(=O)N1CC[C@H](CNC(=O)[C@@H](N)CN)[C@H]1c1cccnc1 1808270902 OGLRAEIEKXEGPR-VNHYZAJKSA-N 315.377 -0.993 30 20 DBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)CC3CC3)C2)C1 1839806888 MRERCPVXIZXRIK-INIZCTEOSA-N 306.362 -0.124 30 20 DBED C=CCC(=O)N1CCCC12CN(C(=O)C[C@H](NC)C(=O)O)C2 1846376048 ATIRIINDJXLVGN-NSHDSACASA-N 309.366 -0.171 30 20 DBED C#CC(=O)N1CC2(CCCN2C(=O)COc2cccnn2)C1 1846594031 YVCFTWVEXKINJD-UHFFFAOYSA-N 300.318 -0.308 30 20 DBED C=C1CC(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@@H]2C[C@H](O)CN2)C1 1847227394 XKKZFYDQGQCZOF-AJNGGQMLSA-N 319.405 -0.123 30 20 DBED CC(C)(CNS(=O)(=O)CCCCC#N)NS(C)(=O)=O 68940693 CPRYPQVOYNDCAC-UHFFFAOYSA-N 311.429 -0.073 30 20 DBED N#Cc1cc(CN2CCN3C(=O)C(=O)NC[C@@H]3C2)ccc1F 152658662 IBVZHKJDWUGRAS-GFCCVEGCSA-N 302.309 -0.160 30 20 DBED C=CCN1CCC(NC(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)CC1 177239703 LZMZPINWEHMFED-OLZOCXBDSA-N 310.398 -0.031 30 20 DBED C/N=C(/NCCNS(C)(=O)=O)N1CC[C@@H](N2CC=CC2)C1 262801123 RHUXZOPGSMAFJK-GFCCVEGCSA-N 315.443 -0.943 30 20 DBED CCN(CC#N)C(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 266236680 DGLXHHRJPLRFLO-WFFHOREQSA-N 305.334 -0.089 30 20 DBED C=CC[C@H](CO)NC(=O)CNS(=O)(=O)CCOC(C)C 273462273 CYVYCFONAHZWGB-LLVKDONJSA-N 308.400 -0.616 30 20 DBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC(C)(O)C1 277825048 WZRIVVPXKSYZOH-SNVBAGLBSA-N 323.374 -0.182 30 20 DBED CCOC(=O)CO/N=C(/C(=O)N1CC[C@H](OC)C1)c1cc[nH]n1 278084667 XORAWVDOMVCTSL-DLPJZNJTSA-N 324.337 -0.059 30 20 DBED N#Cc1ccc(CNC(=O)CN2[C@@H](CO)CC[C@@H]2CO)cc1 287272040 HSLGRCKYHVSYNE-HUUCEWRRSA-N 303.362 -0.008 30 20 DBED COCCCNC(=O)Cn1cc(C(=O)OC)cc(C#N)c1=O 298153103 ZIAJGHPPIBUTBH-UHFFFAOYSA-N 307.306 -0.341 30 20 DBED O=S1(=O)CCCC[C@@H]1CN/C(O)=N/C[C@@H]1COCCO1 329668474 RYZCXYIVXBFCFF-GHMZBOCLSA-N 306.384 -0.127 30 20 DBED CC(C)N1CCN(/C(O)=N/CCN2CCN=C(O)C2)CC1=O 329712720 QKFYAHLRGIRKBF-UHFFFAOYSA-N 311.386 -0.275 30 20 DBED O=C1C[C@H](/N=C(/O)[C@H]2CCOC2)CN1CCN1CCOCC1 329758026 NIPFBFPABXKOAE-STQMWFEESA-N 311.382 -0.088 30 20 DBED C[C@@H](CCN1CCN(C)CC1)/N=C(/O)N[C@@H](C)C(=O)N(C)C 331103510 FLCTZMMUTWYRPX-STQMWFEESA-N 313.446 -0.007 30 20 DBED CCCN(CC(=O)OCC)S(=O)(=O)N1CCO[C@H](C#N)C1 336931165 ZUECWTVKGZONNF-LLVKDONJSA-N 319.383 -0.269 30 20 DBED CC[C@H](C[C@H](C)CO)NS(=O)(=O)N1CCO[C@@H](C#N)C1 337080833 XRMMACBSZBNOLX-TUAOUCFPSA-N 305.400 -0.158 30 20 DBED COCC(=O)N1CCN([C@H](C)C(=O)NC2(C#N)CCC2)CC1 345770774 MAZUMDRZTUAFHF-GFCCVEGCSA-N 308.382 -0.272 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(C)(O)CC2)C1=O 348089938 SORIUVQLBDZXBC-UHFFFAOYSA-N 309.322 -0.663 30 20 DBED CS(=O)(=O)NCCNC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1 348161507 WRRXIYOISIXHHW-CYBMUJFWSA-N 320.374 -0.094 30 20 DBED C=CCNC(=O)[C@@H](C)S(=O)(=O)c1nnc(O)n1CC=C 350213675 ANHIWJOYIWBDRU-MRVPVSSYSA-N 300.340 -0.366 30 20 DBED Cn1cc([C@H](CO)NS(=O)(=O)c2cncc(C#N)c2)cn1 352067489 JPPZFQJVVABXHE-LBPRGKRZSA-N 307.335 -0.301 30 20 DBED N#CCCN(CC1CC1)S(=O)(=O)N1CCS(=O)(=O)CC1 354501773 FAFNHTQHSXJJRV-UHFFFAOYSA-N 321.424 -0.413 30 20 DBED CC[C@@H]1C(=O)NCCN1S(=O)(=O)N(CC)C[C@@H](C)C#N 407959911 XMAXZICLQGFNQQ-WDEREUQCSA-N 302.400 -0.077 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CCCC[C@H]2[C@H](C)N)nn1 424548950 QPAFYYAXCXTARU-AAEUAGOBSA-N 320.397 -0.191 30 20 DBED N#Cc1ccc(Cl)c(NC(=O)C(=O)NCC(=O)NCCO)c1 439254230 UZFGMYRAEWAMSV-UHFFFAOYSA-N 324.724 -0.625 30 20 DBED C#CCNC(=O)CN1CCN(CC(=O)N[C@H](C)C(C)C)CC1 491615064 AOAGCWFAMVBNSW-CQSZACIVSA-N 308.426 -0.486 30 20 DBED COc1cc(C#N)ccc1S(=O)(=O)N[C@H](CCO)C(=O)O 548197029 UAHLVXFEFUKPBX-SECBINFHSA-N 314.319 -0.319 30 20 DBED CN1CCC[C@H](CN(C)S(=O)(=O)N2CCO[C@H](C#N)C2)C1 554533807 QCGJRMSQNYKEOZ-QWHCGFSZSA-N 316.427 -0.271 30 20 DBED C=CCNC(=O)CNC(=O)N1CCS(=O)(=O)[C@H](C)[C@@H]1C 561850966 UJSBLLRYHBSJPP-VHSXEESVSA-N 303.384 -0.494 30 20 DBED N#Cc1ccc(S(=O)(=O)N2CCC[C@@H]([C@H](O)C(=O)O)C2)o1 563550532 SYVOSLVVYLTNNF-KCJUWKMLSA-N 314.319 -0.003 30 20 DBED CC(C)[C@](C)(C#N)NC(=O)CN1C(=O)N[C@]2(CCCNC2)C1=O 564925701 BEULXHRWCXWDJO-GJZGRUSLSA-N 321.381 -0.285 30 20 DBED CN(Cc1ccc(C#N)cc1)C(=O)CNS(=O)(=O)N(C)C 590419475 BIWIQHWOYKBLAK-UHFFFAOYSA-N 310.379 -0.087 30 20 DBED COCC(=O)NC1CN(S(=O)(=O)CC2(CC#N)CC2)C1 590755421 MZMMELAREIJFDZ-UHFFFAOYSA-N 301.368 -0.543 30 20 DBED N#CC[C@@]1(O)CCN(CC#CCN2CC[C@](O)(CC#N)C2)C1 592153784 OPIXQGMRZHSAMV-HZPDHXFCSA-N 302.378 -0.309 30 20 DBED C=CCn1cc(CNC(=O)N2C[C@H](C)O[C@H](C(=O)OC)C2)nn1 593420135 XKDPSWIFGGGKTE-JQWIXIFHSA-N 323.353 -0.064 30 20 DBED N#Cc1ccc(NCC(=O)N2CC[C@@H]3NC(=O)CC[C@@H]3C2)nc1 598173054 RCDWQRGHNYOSBJ-OLZOCXBDSA-N 313.361 0.492 30 20 DBED COc1cccc(NC(=O)C(=O)NCC(=O)NCC#N)c1C 599977963 MMGYWOPFBFOVBP-UHFFFAOYSA-N 304.306 -0.302 30 20 DBED Cn1cc(C#N)c(=NC(=O)NCCCc2[nH]nc(N)c2C#N)[nH]1 610563641 CYJNPRRPVIABDH-UHFFFAOYSA-N 313.325 -0.355 30 20 DBED COc1cc(C#N)ccc1NC(=O)C(=O)N1CC(CC(N)=O)C1 619524147 JXXPMBWWMBOBFG-UHFFFAOYSA-N 316.317 -0.161 30 20 DBED N#Cc1cccnc1NCCOC(=O)CN1CCCS1(=O)=O 729796850 RWAZXJCKLCYUTF-UHFFFAOYSA-N 324.362 -0.056 30 20 DBED C#CCN1CCN(C(=O)c2ccc(S(N)(=O)=O)s2)CC1 733163592 OSBHTFRGYBNHLX-UHFFFAOYSA-N 313.404 -0.214 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)CCNC(=O)OC 733544249 JSIAAULCSMQFEY-QMMMGPOBSA-N 301.299 -0.324 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)NCCCC(=O)O)CC1 736105859 MQZWYYHNMBMFNL-UHFFFAOYSA-N 312.370 -0.519 30 20 DBED Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)OCC#N 745354060 RVCPFTWBERKMDO-QMMMGPOBSA-N 300.340 -0.229 30 20 DBED C#Cc1cccc(NC(=O)C(=O)NC[C@@]2(O)CCN(C)C2)c1 762701773 RDOQDVMOOZIRDI-INIZCTEOSA-N 301.346 -0.211 30 20 DBED C#CCNC(=O)CN1CCC(c2nc(C(=O)OCC)n[nH]2)CC1 770034383 OHEFIBFXWUMWKN-UHFFFAOYSA-N 319.365 -0.090 30 20 DBED C[C@@H](C#N)COC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 770940414 ATLYMVDQUNQOJP-QMMMGPOBSA-N 302.290 -0.051 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@H](C#C)[C@H]1CCCO1)[C@@H]1CCCO1 775429471 YDLQLCJUWZVNOI-KPWCQOOUSA-N 304.346 -0.420 30 20 DBED CCN(CC)S(=O)(=O)CC(=O)[C@@H](C#N)C(=O)NCCOC 784834870 VUYWXADLYIGJBX-SNVBAGLBSA-N 319.383 -0.871 30 20 DBED CN(C(=O)COC(=O)C1(S(C)(=O)=O)CC1)C(C)(C)C#N 795884040 XXXFPTAPLYPICE-UHFFFAOYSA-N 302.352 -0.133 30 20 DBED C#C[C@H](NC(=O)C(=O)NCC(C)(C)C(=O)NC)[C@H]1CCCO1 809308289 HATKHFSNSNTSAM-WDEREUQCSA-N 309.366 -0.828 30 20 DBED CC(C)(C)NS(=O)(=O)CCNC(=O)[C@](C)(C#N)CC(=O)O 819908466 FCPXLZMVZGWUFK-LBPRGKRZSA-N 319.383 -0.175 30 20 DBED C#CC[C@@H](NC(=O)[C@H]1COCCN1CC(F)(F)F)C(=O)OC 837945971 CNAFXRHURUOCBS-NXEZZACHSA-N 322.283 -0.069 30 20 DBED CCONC(=O)CNC(=O)C(=O)Nc1cc(C#N)ccc1OC 846131990 VYBCPQLLVKJHQD-UHFFFAOYSA-N 320.305 -0.311 30 20 DBED C=C[C@H](C)ONC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C 846542626 AYTBOYPROQRCRS-QMMMGPOBSA-N 304.306 -0.132 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N[C@H](C#C)[C@H]1CCCO1 875322314 BFUYQLMZHOCBOC-MGPQQGTHSA-N 306.362 -0.172 30 20 DBED C#CCN1CCC[C@H](NC(=O)NCCS(=O)(=O)C2CC2)C1 884417176 ZTXZXKCVAQLPCJ-LBPRGKRZSA-N 313.423 -0.040 30 20 DBED C#CC1(O)CN(C(=O)NC[C@@H](C(C)C)N2CCN(C)CC2)C1 891755560 XOUBOEPTBONXLP-AWEZNQCLSA-N 308.426 -0.352 30 20 DBED N#CCN1CCC(OC(=O)CN2CCCCS2(=O)=O)CC1 892863983 RTSRBWSPABWAML-UHFFFAOYSA-N 315.395 -0.057 30 20 DBED CN1C[C@@H](N(C)c2c(C#N)c(=O)n(C)c(=O)n2C)CCC1=O 895953569 OTQSZWBRCBSSEG-VIFPVBQESA-N 305.338 -0.987 30 20 DBED CS(=O)(=O)N[C@H]1CCN(C(=O)c2cccc(C#CCO)c2)C1 900743074 YEAQXMPFIXAKFS-AWEZNQCLSA-N 322.386 -0.206 30 20 DBED C=CCCn1cc(C(=O)N(C)[C@@H]2CCN(C(=O)C(N)=O)C2)nn1 939385093 XESOKQDJTVLAFJ-SNVBAGLBSA-N 320.353 -0.988 30 20 DBED N#Cc1cc(C(=O)N2CC[C@@H](NC(=O)c3cnon3)C2)c[nH]1 942257365 UIPJQHGEJXBBEL-SECBINFHSA-N 300.278 -0.086 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H]1CNC(=O)c1cn(C)c(=O)n1C 944253480 RKPRGFJYJWGAHX-WDEREUQCSA-N 319.365 -0.396 30 20 DBED C[C@@H]1C[C@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)CCN1CC#N 947999201 WBHADNBLQFOERF-GHMZBOCLSA-N 321.381 -0.191 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@H]2CCCO2)C1 954630807 KQWPBDUZZIUPLU-GJZGRUSLSA-N 319.405 -0.068 30 20 DBED C#CCCN1C[C@H](CNC(=O)c2cnn3cccnc23)[C@@H](O)C1 958309298 JPQOJIYWLYHWOH-JSGCOSHPSA-N 313.361 -0.225 30 20 DBED N#CCN1C[C@H](O)[C@H](CNC(=O)c2ccc3nc(O)[nH]c3c2)C1 958448246 MXURUFDKNOQPTP-MFKMUULPSA-N 315.333 -0.185 30 20 DBED C=C(C)CCN1C[C@H]2C(NC(=O)c3nnc(O)nc3O)[C@@H]2C1 960812785 ZRUKSHUVRXKPPZ-RKDXNWHRSA-N 305.338 -0.091 30 20 DBED CC#CCN1C[C@H]2[C@H](NC(=O)C3CCS(=O)(=O)CC3)[C@H]2C1 961911963 PNJPHYASDKKDJZ-WDNDVIMCSA-N 310.419 -0.119 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)C[C@@H]3CCC(=O)N3)C[C@@H]2C1 961912176 ZPGOXSLMQSGNQY-RVMXOQNASA-N 318.377 -0.268 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(CC1)C[C@H]2NC(=O)C(N)=O 965066135 SQQAQESETLRYTM-GRYCIOLGSA-N 321.377 -0.440 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2CCC3(CN(C(C)=O)C3)O2)nn1 965535857 DJBRHLBSKLRKCR-GFCCVEGCSA-N 319.365 -0.026 30 20 DBED CC#CCN1CC[C@H](C)[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 966165654 GYYZUQBERKTHBU-NWDGAFQWSA-N 318.381 -0.773 30 20 DBED CC#CCN1CCO[C@]2(CCN(C(=O)[C@H]3CN(C)CCO3)C2)C1 972317255 SVQCOBXJTWRHSD-NVXWUHKLSA-N 321.421 -0.356 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)[C@H](C)S(C)(=O)=O)C2)C1 972435034 LIJKTRRAAVUZPI-JSGCOSHPSA-N 314.407 -0.644 30 20 DBED COc1nn(C)cc1C(=O)N1CC[C@]2(CN(CC#N)CCO2)C1 972495258 ZYXUPCYBBUWTEM-HNNXBMFYSA-N 319.365 -0.131 30 20 DBED C#CCCN1C[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C(C)(C)C1 975106760 PQTIBJNGEKQKHC-QWRGUYRKSA-N 306.366 -0.566 30 20 DBED CCN1CCOC[C@@H]1C(=O)N[C@H]1[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]21 976779664 DIAKGMNPWXLDRO-RGDJUOJXSA-N 320.393 -0.560 30 20 DBED C=CCN1C[C@@H]2C(CNC(=O)[C@@H]3COCCN3C(C)=O)[C@H]2C1 979092460 POWJSWIYLXVOCC-KFWWJZLASA-N 307.394 -0.286 30 20 DBED C#Cc1ccc(C(=O)N2CCCN(CC(=O)NC)CC2)cn1 989511489 WPPVPPYCTXXTEP-UHFFFAOYSA-N 300.362 -0.043 30 20 DBED N#Cc1ccc(C(=O)N2CC(NC(=O)C[C@@H]3CCNC3=O)C2)[nH]1 993448311 KVNJNBBSOPTNHZ-VIFPVBQESA-N 315.333 -0.647 30 20 DBED C=C(C)C(C)(C)C(=O)N1CC(NC(=O)CN2CCNC(=O)C2)C1 997395189 FYBIAUSYRYFNCH-UHFFFAOYSA-N 322.409 -0.653 30 20 DBED C[C@@]1(C(=O)NC2CN(C(=O)c3ccc(C#N)[nH]3)C2)CCNC1=O 999799405 PDLLXLRJUMPUCA-OAHLLOKOSA-N 315.333 -0.647 30 20 DBED C#CCN1CCC(NC(=O)C2(n3cnnn3)CCOCC2)CC1 1003776493 TWPXUJWBCMYQHQ-UHFFFAOYSA-N 318.381 -0.607 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@@H](C)[C@H](NC(=O)C(N)=O)C2)nc1 1005217955 PLHXHFIFMIFYFE-ZWNOBZJWSA-N 314.345 -0.485 30 20 DBED CN(C(=O)c1cn(C)c(=O)n(C)c1=O)C1CCN(CC#N)CC1 1006086019 IDAXFNRMFUBOBA-UHFFFAOYSA-N 319.365 -0.856 30 20 DBED COCC(=O)N1C[C@H]2[C@H](CNC(=O)c3c[nH]c(C#N)c3)[C@H]2C1 1008984630 ZMHCHPJVEKLHNR-XYYAHUGASA-N 302.334 -0.033 30 20 DBED CC#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CCNC(=O)C1 1017794954 QBYIQTOAXGEHDQ-OKILXGFUSA-N 304.394 -0.883 30 20 DBED CC(C)(C(N)=O)C(=O)N1C[C@@H]2CCN(C(=O)C#CC3CC3)[C@@H]2C1 1021590187 BLQGIKUFPQGROI-QWHCGFSZSA-N 317.389 -0.029 30 20 DBED Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2O)cn1 1023072989 NXLDDYRHXGOCFM-OASPWFOLSA-N 302.334 -0.149 30 20 DBED N#CCN1CCC[C@H](CNC(=O)[C@@H]2CCc3nnnn3CC2)C1 1023605450 ZYUONLQCSCWASV-CHWSQXEVSA-N 317.397 -0.023 30 20 DBED C=C(C)CN[C@@H]1CC[C@@H]2CN(C(=O)CN3C(=O)CNC3=O)C[C@@H]21 1026415374 GGXOWHQCBLPMFN-FRRDWIJNSA-N 320.393 -0.059 30 20 DBED N#CCNC1CCC(NC(=O)c2cc(=O)n3[nH]cnc3n2)CC1 1026591945 DLKYEXHJCMZBEZ-UHFFFAOYSA-N 315.337 -0.428 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@@H]2CCN([C@@H]3CCNC3=O)C2)c1 1028470284 HGCWQSAOZLWCNZ-GXFFZTMASA-N 301.350 -0.173 30 20 DBED C=C(Cl)CN1CC(NC(=O)[C@@H]2CN(C(C)=O)CCO2)C1 1031332604 JQYYWYZFHSJVEV-LBPRGKRZSA-N 301.774 -0.213 30 20 DBED CC#CCN1C[C@@H]2C[C@H]1CN2C(=O)CC[C@@H]1NC(=O)NC1=O 1032770042 HGMDQGKTVMHXCO-SRVKXCTJSA-N 304.350 -0.717 30 20 DBED COCCn1nc(C(=O)N(C)[C@@H]2CCN(CC#N)C2)ccc1=O 1033248176 WVPMNMBBXZDRMH-GFCCVEGCSA-N 319.365 -0.440 30 20 DBED Cn1c(=O)ccn(CC(=O)N[C@H]2CC[C@H](NCC#N)CC2)c1=O 1034658790 GQOHITDCASJPGW-HAQNSBGRSA-N 319.365 -0.912 30 20 DBED C#CCN1CCO[C@H](CNC(=O)c2ccoc2CC(N)=O)C1 1035489167 XPBYSUGSBZCIHH-LLVKDONJSA-N 305.334 -0.629 30 20 DBED C=CCCN1CCO[C@@H](CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 1035507555 KYMWSVFJUUZNJF-RWMBFGLXSA-N 311.382 -0.588 30 20 DBED C=CCN[C@@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C[C@@H]1C 1036307412 CFMSLVIADNRHDF-WDEREUQCSA-N 306.370 -0.610 30 20 DBED C#CCN[C@@H]1CCN(C(=O)c2nnc(O)nc2O)C[C@H]1CC 1037887697 FXBJXTVMUWXXMF-NXEZZACHSA-N 305.338 -0.254 30 20 DBED CC(C)C#CC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2CCCN2C)C1 1039663367 DKAGNKPDPRWANW-YOEHRIQHSA-N 321.421 -0.180 30 20 DBED C[C@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)C2=COCCC2)C1 1040759781 CYTMCYDGICGENX-ABAIWWIYSA-N 307.350 -0.080 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)c2ccnnc2)C1 1041015674 KEXWEORSOKDQBQ-QMTHXVAHSA-N 303.322 -0.671 30 20 DBED C[C@H](C#N)C(=O)N1CCCO[C@H](CN=c2cc[nH]c(C#N)n2)C1 1041483636 UBOMBUKLVYSJQO-VXGBXAGGSA-N 314.349 -0.041 30 20 DBED CC#CCN1CC[C@@]2(CCN(C(=O)CN3C(=O)CNC3=O)C2)C1 1041820417 PKQWJNWYBNVSOM-MRXNPFEDSA-N 318.377 -0.514 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)COCCOCC)C1 1041973184 SXDVAXBJPNBJKJ-UHFFFAOYSA-N 314.382 -0.305 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)[C@H]2CCNC(=O)C2)C1 1042518664 LCUCCLCBGBLDDL-NSHDSACASA-N 309.366 -0.832 30 20 DBED C=CCN1CC[C@@H](N2CC(N(C)C(=O)c3ccnn3C)C2)C1=O 1042523869 HTJXHNRCDKWYPR-CQSZACIVSA-N 317.393 -0.037 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(O)CN(C(=O)c2ocnc2C)C1 1042806383 GGPGVQYVUDXVSI-AWEZNQCLSA-N 323.349 -0.387 30 20 DBED CCn1ccc(C(=O)NCC2(O)CN(C(=O)[C@H](C)C#N)C2)n1 1043018351 CVBGNKRKFNDIBK-SNVBAGLBSA-N 305.338 -0.634 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)[C@H]2CCN(C)C2)C1 1043116767 QLMBAKAQKVNEQH-ZDUSSCGKSA-N 307.394 -0.569 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)CCCCN(C)C)C1 1044252246 ZPVDRNAXAUPVLL-LBPRGKRZSA-N 310.398 -0.433 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(O)(CNC(=O)[C@@H](F)CC)C1 1044801176 QBEQTRWBASFKFC-GXFFZTMASA-N 302.346 -0.249 30 20 DBED C=C[C@@H](CC)CC(=O)N1CC(O)(CNC(=O)c2cnon2)C1 1045196858 FPBLQWRWUCPTCF-JTQLQIEISA-N 308.338 -0.025 30 20 DBED C=CC(C)(C)CC(=O)N1CC(O)(CNC(=O)Cc2nc[nH]n2)C1 1046905718 WDIAZKGFLQQRTA-UHFFFAOYSA-N 321.381 -0.361 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)c1ccc2nn[nH]c2n1 1050950406 WLOBVKBNIKKFNZ-JTQLQIEISA-N 300.322 -0.583 30 20 DBED CCc1nnc(CNC[C@@H]2CN(C(=O)[C@@H](C)C#N)CCO2)n1C 1051493906 BTFAVLUWUABFJQ-NWDGAFQWSA-N 320.397 -0.146 30 20 DBED C=CCOCC(=O)N1C[C@H](CNC(=O)Cn2cncn2)[C@@H](C)C1 1052219855 DSPLZNGOSQZQDE-STQMWFEESA-N 321.381 -0.309 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC2(C1)CN([C@@H]1CCCNC1=O)C2 1053191426 QKKZBKROCJXZAJ-NWDGAFQWSA-N 306.366 -0.662 30 20 DBED N#CCN1CC2(CC[C@H](CNC(=O)[C@H]3CCCCC(=O)N3)O2)C1 1053661914 AMEMFHOTEUJXPQ-CHWSQXEVSA-N 320.393 -0.082 30 20 DBED CC#CCN1CC2(CC[C@H](CNC(=O)[C@H]3C[C@H]3C(N)=O)O2)C1 1053663096 GFJOVOYCRVUCKN-UPJWGTAASA-N 305.378 -0.519 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)c3cnn(C)c3OC)CO2)C1 1053994981 RAEREXHJODAGPR-LLVKDONJSA-N 304.350 -0.365 30 20 DBED Cc1nc(C(=O)N2C[C@@H](C)[C@@H](NCC#N)C2)nn1-c1nc[nH]n1 1054954665 QCMRGLFQEUMLRQ-SCZZXKLOSA-N 315.341 -0.733 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@](CO)(NC(=O)c2ccnn2C)C1 1055817204 IQYVTLSLEVEJJA-IAQYHMDHSA-N 319.365 -0.337 30 20 DBED Cn1cc(CC(=O)NC2[C@@H]3CN(c4nccnc4C#N)C[C@@H]23)cn1 1056146215 FDEDCWHIZKJTNV-VXGBXAGGSA-N 323.360 -0.125 30 20 DBED Cc1cc(N2C[C@@H]3C(NC(=O)c4nnn(C)n4)[C@H]3C2)c(C#N)cn1 1056372044 GOLGPVZTTCOKEU-QWRGUYRKSA-N 324.348 -0.350 30 20 DBED CC(=O)NCC(=O)N1CCC[C@H]2CN(C(=O)C#CC3CC3)C[C@H]21 1056586564 PYRXEGFBIOLSMO-LSDHHAIUSA-N 317.389 -0.015 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)CCCC(C)=O 1056957437 OUWXZMITLZJAHL-UHFFFAOYSA-N 314.382 -0.115 30 20 DBED C#CCOCCC(=O)NCCN(CCO)C(=O)c1ncoc1C 1057128762 GKLXYZOKEWZHJX-UHFFFAOYSA-N 323.349 -0.426 30 20 DBED CO[C@@H](C)CC(=O)N(CCO)CCNC(=O)c1c[nH]c(C#N)c1 1057163502 SPKJDUSDOGQDDT-NSHDSACASA-N 322.365 -0.138 30 20 DBED C=CCCOCC(=O)NCCN(CCO)C(=O)c1cocn1 1057203166 QRFSVBRWCHWZCI-UHFFFAOYSA-N 311.338 -0.182 30 20 DBED C#CCO[C@H](C)C(=O)NCCN(CCO)C(=O)Cc1ccon1 1057246297 IONVVNMHMRYTJA-GFCCVEGCSA-N 323.349 -0.808 30 20 DBED N#Cc1cnc(N2CC[C@H](NC(=O)c3cnnc(O)c3)C2)cn1 1058473507 ZQSNZFBDQZKLCW-JTQLQIEISA-N 311.305 -0.147 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)CC[C@H]1CCCN1C 1058661516 YJYKQMXAFZOXSB-UONOGXRCSA-N 324.425 -0.042 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](CCNC(=O)C(F)F)C1 1059502303 ODOWQBLNHJFYAS-JTQLQIEISA-N 315.320 -0.254 30 20 DBED C#CCO[C@H](C)C(=O)N1CCOC[C@@H]1CNC(=O)COCC 1061247062 ASNVHKPDCBBIHV-OLZOCXBDSA-N 312.366 -0.595 30 20 DBED CC(C)C#CC(=O)N1CCCC[C@@H]1CNC(=O)CNC(N)=O 1062195327 AXDJGVUIUAOVBL-GFCCVEGCSA-N 308.382 -0.189 30 20 DBED C=CCOCC(=O)NC[C@H]1CCCCN1C(=O)[C@@H]1CCC(=O)N1 1062289642 BHJOLDXBHUAROT-OLZOCXBDSA-N 323.393 -0.035 30 20 DBED N#Cc1ccc(N2CCO[C@@H](CNC(=O)c3nc[nH]n3)C2)nn1 1063638990 JJPWFNDRUZDRSN-JTQLQIEISA-N 314.309 -0.898 30 20 DBED N#Cc1cnc(N2CC[C@H]3[C@@H]2CCCN3C(=O)CC(N)=O)cn1 1066126294 DVTMDHWIOKWCSO-RYUDHWBXSA-N 314.349 -0.207 30 20 DBED N#Cc1ccc(NCC2CC(NC(=O)Cn3cnnn3)C2)nn1 1067829106 HAWNRFANOBYINS-UHFFFAOYSA-N 313.325 -0.658 30 20 DBED C[C@H]1C[C@H](N=c2cc[nH]c(C#N)n2)CN1C(=O)Cn1cncn1 1069099796 UEZQNDWZNUOPOC-QWRGUYRKSA-N 312.337 -0.537 30 20 DBED Cc1nn[nH]c1C(=O)N1C[C@H](N=c2cc[nH]c(C#N)n2)C[C@@H]1C 1069183728 OVXYFCCSQTWGOQ-WCBMZHEXSA-N 312.337 -0.088 30 20 DBED N#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H]2CCCOC2)C1 1069901474 HGLTUDBFAHOLJI-XQQFMLRXSA-N 304.354 -0.430 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)c2ccn(C)n2)CCOCC1 1070232409 JBOFZRYPPLDOGZ-LLVKDONJSA-N 319.365 -0.025 30 20 DBED CC#CCN1CCNC(=O)CCN(C(=O)c2cncn2C)CC1 1070977864 NDAOMXRQWUNOOK-UHFFFAOYSA-N 317.393 -0.293 30 20 DBED C#CCN1CC[C@@]2(C1)CN(C(=O)c1nnn(C)n1)C[C@H](C)O2 1071197701 WUHHEOLIPHWFTE-SMDDNHRTSA-N 304.354 -0.851 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CN(C(=O)c2cn[nH]c2)C[C@H]1C 1071671621 DQSZZPBLJJWIRN-PWSUYJOCSA-N 317.349 -0.874 30 20 DBED CNC(=O)NCC(=O)N[C@H]1CN(C(=O)C#CC(C)C)C[C@@H]1C 1072053256 VDZKRSKGNDNABI-RYUDHWBXSA-N 308.382 -0.462 30 20 DBED CC#CCCCC(=O)N[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@@H]1C 1072535054 RKDRWGVNCDXURA-NWDGAFQWSA-N 318.381 -0.020 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(C(=O)C2(C(N)=O)CC2)C[C@H]1C 1073816648 DREHFQFHDZQHSS-VXGBXAGGSA-N 323.393 -0.192 30 20 DBED N#CCN1CCCO[C@@H](CNC(=O)c2nc3ncccn3n2)C1 1073824148 OGKDGNLAUKQYCU-NSHDSACASA-N 315.337 -0.531 30 20 DBED Cn1cc(C(=O)N2CC[C@@H]3OCCN(CC#N)[C@@H]3C2)n(C)c1=O 1074415279 NXXTXZKAWJXFIF-YPMHNXCESA-N 319.365 -0.837 30 20 DBED C#CCOCCC(=O)N[C@@H](C)CCNC(=O)C1=COCCO1 1075503472 QETACIJKDKZCEM-LBPRGKRZSA-N 310.350 -0.075 30 20 DBED C#CCCN1C[C@@H]2CCN(C(=O)CC[C@H]3NC(=O)NC3=O)[C@@H]2C1 1076548770 HGKSZZXBZKECPM-YNEHKIRRSA-N 318.377 -0.469 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2c[nH]c3ccccc3c2=O)C1 1077288391 RCQYESCOKAHKGW-HUUCEWRRSA-N 311.341 -0.064 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCS(=O)(=O)C2)C1 1077766395 DTOQPBWXYYXNRZ-QJPTWQEYSA-N 302.396 -0.842 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)c2cn3nccc3nc2C)C1 1077915557 LRJDMUCJXXPYKQ-ZIAGYGMSSA-N 313.361 -0.164 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)[C@@H]1CCCN(C(=O)C(N)=O)CC1 1078962371 ORYPTWOTVGAJLM-NWDGAFQWSA-N 309.366 -0.651 30 20 DBED CC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CCN(CC#N)CC1 1079163376 BEBOTXCODZXKQD-KGLIPLIRSA-N 305.382 -0.011 30 20 DBED C=CCN1C[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)[C@H](C)C1 1080547906 BLWNJZJMWNQEHR-ZYHUDNBSSA-N 306.366 -0.680 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CN([C@H](CC)C(N)=O)C[C@H]2C)nn1 1080578850 CYVTZVTYTMPJHE-NQBHXWOUSA-N 320.397 -0.222 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(C(=O)c2ccco2)C[C@@H]1O 1081485334 HCXQYSKYXQIWEB-OLZOCXBDSA-N 320.345 -0.131 30 20 DBED C[C@H](C#N)C(=O)N1CCCC[C@H]1CNC(=O)Cn1cnnc1O 1082267071 GXFSGERAPGLVEJ-MNOVXSKESA-N 320.353 -0.359 30 20 DBED COC(=O)NCC(=O)NC[C@@H]1CCCCN1C(=O)[C@H](C)C#N 1082267303 MGDCCBAHJGISHX-MNOVXSKESA-N 310.354 -0.001 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@@H]1CCCN1C(=O)C(C)C 1082376536 YWQSMARJQAKHSU-HZSPNIEDSA-N 322.409 -0.028 30 20 DBED C#CCN1CC[C@H](NC(=O)[C@@H]2COCCN2C(C)=O)[C@H]1CC 1087834734 SJRMQWCTYSOUDZ-ZNMIVQPWSA-N 307.394 -0.164 30 20 DBED N#CCN1C[C@H]2[C@@H]3CC[C@@H](CN3C(=O)Cn3ncnn3)[C@H]2C1 1089816363 OFZFOSMGVGSRQI-LOWDOPEQSA-N 301.354 -0.635 30 20 DBED CC(=O)Nc1cccnc1C(=O)N[C@H]1CCN(CC#N)C[C@H]1O 1090315627 KLKHOUZLQVWKMC-WCQYABFASA-N 317.349 -0.271 30 20 DBED N#CCN1CC[C@H](NC(=O)c2cnc3[nH]c(O)nc3c2)[C@@H](O)C1 1090377904 MGIKWXQFOWYJSA-ONGXEEELSA-N 316.321 -0.648 30 20 DBED C#Cc1cncc(C(=O)N[C@H]2CCN(CCOC)C[C@H]2O)c1 1090558078 CGVCGDIQTGNNOM-LSDHHAIUSA-N 303.362 -0.126 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)c2c[nH]c(C(N)=O)c2)[C@H](O)C1 1090813333 OYHQWIBCWHDXOJ-DGCLKSJQSA-N 306.366 -0.145 30 20 DBED CO[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1NC(=O)[C@H](O)C(C)C 1090881327 DWGPJKBKTMZPKH-YRGRVCCFSA-N 319.365 -0.315 30 20 DBED CC(=O)N(C)CC(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@@H]1O 1091074810 JXCXNWUOGOJAEG-OCCSQVGLSA-N 317.349 -0.903 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CN(c2cnc(F)cn2)C[C@@H]1O 1091118657 RSKHCKCVTXPBSU-AXFHLTTASA-N 310.329 -0.128 30 20 DBED C#CCCN1CC(n2cc(CNC(=O)c3cncn3C)nn2)C1 1094303262 ATBPQYZEZMJBCB-UHFFFAOYSA-N 313.365 -0.178 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)CN3CC[C@H](C)C3)CC2=O)C1 1094787178 NJUSCXNSBXCNGC-UONOGXRCSA-N 318.421 -0.637 30 20 DBED CCN(CCCNC(=O)CNC(=O)NC)c1nccnc1C#N 1095980282 OZIBVBSUIHEONP-UHFFFAOYSA-N 319.369 -0.390 30 20 DBED C#CCCN(CCO)C1CCN(C(=O)C[C@@H](C)NC(N)=O)CC1 1098368784 HWLUJVCAAHHJDB-CYBMUJFWSA-N 324.425 -0.258 30 20 DBED C[C@H](NC(N)=O)C(=O)N1CC[C@H](CNc2cncc(C#N)n2)C1 1098521500 FMRUFVQZXPUFPD-VHSXEESVSA-N 317.353 -0.335 30 20 DBED N#CCNCc1cn([C@@H]2CCN(C(=O)CSCC#N)C2)nn1 1098622702 NUNZLMOGXHEBRX-GFCCVEGCSA-N 319.394 -0.079 30 20 DBED N#CCNCc1cn([C@H]2CCN(C(=O)c3ncccn3)C2)nn1 1098757698 RMBZRHMUXGEWHI-LBPRGKRZSA-N 312.337 -0.232 30 20 DBED C[C@@H](CCNC(=O)CCNC(N)=O)N=c1cc[nH]c(C#N)n1 1099141276 ORTGCBIBWZCPME-VIFPVBQESA-N 305.342 -0.865 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)CCc2cnc[nH]2)[C@H](O)C1 1099871738 JROLTKPSISSAOM-HUUCEWRRSA-N 320.393 -0.457 30 20 DBED COCC#CCN1CC[C@H](NC(=O)CN2CCCC2)[C@@H](O)C1 1100110389 VEGIDLUBBDBEMO-GJZGRUSLSA-N 309.410 -0.717 30 20 DBED C[C@@H]1C[C@@H](C(=O)NCCN(C)c2cnc(C#N)cn2)CC(=O)N1 1100211478 ORFUCMUIGALGOK-GHMZBOCLSA-N 316.365 -0.185 30 20 DBED CC[C@@H](C)OCC(=O)NCC1CC(NCC(=O)NCC#N)C1 1100252845 ZUJZYHUKJZNUAB-PNESKVBLSA-N 310.398 -0.074 30 20 DBED CN(CCNC(=O)[C@@H]1CC[C@H]1C(N)=O)c1cncc(C#N)n1 1100269328 VIJUAPXGMFBPAO-GHMZBOCLSA-N 302.338 -0.588 30 20 DBED CCN(CCNC(=O)[C@H]1CCN(C)C1=O)c1ccnc(C#N)n1 1100681288 AFMKYFKTYHYNAJ-LLVKDONJSA-N 316.365 -0.231 30 20 DBED N#Cc1ccc(N2CC[C@H](CNC(=O)CCNC(N)=O)C2)nc1 1100980588 YIFDLUGQOLTWKP-GFCCVEGCSA-N 316.365 -0.046 30 20 DBED CC(C)(C(N)=O)C(=O)NC[C@@H]1CCN(c2cnc(C#N)cn2)C1 1101022394 GYBSSNLVKVGQFJ-JTQLQIEISA-N 316.365 -0.198 30 20 DBED COCC#CCN1C[C@@H]2CN(C(=O)[C@@H]3CNC(=O)N3)C[C@]2(C)C1 1101344042 VXTNUYTVYXUPMM-WWGRRREGSA-N 320.393 -0.902 30 20 DBED N#Cc1nccc(N(CCNC(=O)[C@@H]2CNC(=O)N2)C2CC2)n1 1101433032 WZXKZOZKODHJIX-JTQLQIEISA-N 315.337 -0.885 30 20 DBED CC(=O)NCC(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1C#N 1102535197 LELGVAZBBKUNTN-QWRGUYRKSA-N 300.322 -0.726 30 20 DBED CNC(=O)CC(=O)N(C)[C@H]1CCN(c2nccnc2C#N)C1 1102698052 UTPGIXMTZOPWCN-JTQLQIEISA-N 302.338 -0.479 30 20 DBED C[C@@H]1OCCO[C@@H]1C(=O)NC[C@@H](C)CN=c1cc[nH]c(C#N)n1 1104255022 UIFUXHWJUNAQBB-MJVIPROJSA-N 319.365 -0.262 30 20 DBED Cc1cc(C#N)nc(NC[C@H](C)N(C)C(=O)[C@@H]2CNC(=O)N2)n1 1104784445 GMKBYHCMKXNNNP-ONGXEEELSA-N 317.353 -0.403 30 20 DBED C[C@@H](CNc1nccnc1C#N)N(C)C(=O)[C@H]1CNC(=O)N1 1104784563 HGMPYTOIGQDZGY-WCBMZHEXSA-N 303.326 -0.712 30 20 DBED Cn1nccc1C(=O)NC[C@H](O)CNc1ccc(C#N)nc1 1105740282 WROHABPDSXGVJJ-GFCCVEGCSA-N 300.322 -0.110 30 20 DBED Cn1cccc1C(=O)NC[C@@H](O)CNc1ccc(C#N)nn1 1105755296 QTURRRIWBILWGO-NSHDSACASA-N 300.322 -0.110 30 20 DBED Cc1cc(=NC[C@H](O)CNC(=O)c2cc[nH]n2)c(C#N)c[nH]1 1105767496 PHPCWWSEBNLGEP-NSHDSACASA-N 300.322 -0.391 30 20 DBED Cc1cc(C(=O)NC[C@H](O)CN=c2cc[nH]c(C#N)n2)ncn1 1105788499 LCPPKVLQPLMMGA-SNVBAGLBSA-N 313.321 -0.929 30 20 DBED Cn1cnc(C(=O)NC[C@@H](O)CNc2ccc(C#N)nc2)n1 1105816293 VWNFHKYJKOIFOT-NSHDSACASA-N 301.310 -0.715 30 20 DBED N#Cc1nc(=NC[C@@H](O)CNC(=O)c2cc(Cl)no2)cc[nH]1 1105818224 HEYGZHLMSFVETL-SSDOTTSWSA-N 322.712 -0.386 30 20 DBED CN1CC[C@H](CC(=O)NC[C@@H](O)CNc2cncc(C#N)n2)C1 1105913737 HUWRIICNPLFVBX-YPMHNXCESA-N 318.381 -0.421 30 20 DBED Cc1cc(C#N)nc(NC[C@H](O)CNC(=O)C(C)(C)C(N)=O)n1 1105997179 KNJWVGPBROWPTP-SNVBAGLBSA-N 320.353 -0.943 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H](C)CCNc1ccc2nnnn2n1 1106443194 TWIJRHZMUHWLIZ-WDEREUQCSA-N 317.353 -0.136 30 20 DBED N#Cc1ccc(NC/C=C\CNC(=O)[C@@H]2COCCO2)nn1 1107050132 DEKPSGIUECZTNE-BIOMNHJASA-N 303.322 -0.152 30 20 DBED N#Cc1c[nH]ccc1=NC/C=C\CNC(=O)[C@@H]1CCNC(=O)C1 1107122093 LZPDYEDZWGXFMQ-UDSFMNFJSA-N 313.361 -0.014 30 20 DBED C=CCOCCN1CC(n2cc(CNC(=O)[C@H](C)OC)nn2)C1 1107138455 CRKIVXZURRAWIM-LBPRGKRZSA-N 323.397 -0.012 30 20 DBED CC[C@@H](NC(C)=O)C(=O)NC/C=C\CN=c1cc[nH]c(C#N)n1 1107523064 DPWHZUIOADLQCC-QMAVJUDZSA-N 316.365 -0.231 30 20 DBED C[C@@H](CNc1cncc(C#N)n1)NC(=O)CN1CCCC1=O 1108247683 YLRZPXHEICFDMS-JTQLQIEISA-N 302.338 -0.113 30 20 DBED C#CCCN1CCO[C@@](C)(CNC(=O)[C@H]2CN(CC)CCO2)C1 1108410420 QSRXFURIYHHXRO-WBVHZDCISA-N 323.437 -0.063 30 20 DBED N#CCN1CC(N2C[C@@H](NC(=O)CCc3ncc[nH]3)CC2=O)C1 1108539164 WWDQPJNJNWUFLZ-NSHDSACASA-N 316.365 -0.733 30 20 DBED C#CCNC(=O)CN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)COCC=C)C2 1108642165 RLCSFQIKUNKJRK-ZNMIVQPWSA-N 319.405 -0.093 30 20 DBED C=CCOCCN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1ncnn1)C2 1108687405 DGRUGHWOURPVEC-IHRRRGAJSA-N 320.397 -0.155 30 20 DBED C[C@@H](CNc1ccc(C#N)nn1)NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 1108706714 DWRLIOBQPTWEGT-INTQDDNPSA-N 318.337 -0.702 30 20 DBED C[C@@H](CN(C)c1nccnc1C#N)NC(=O)c1cnn(C)n1 1109015938 SNWAGWBAGRBYST-VIFPVBQESA-N 300.326 -0.269 30 20 DBED CN(CCCN=c1cc[nH]cc1C#N)C(=O)CCn1cnnn1 1109498628 GKXIEBOZTCAXLP-UHFFFAOYSA-N 314.353 -0.288 30 20 DBED CN(CCCN=c1cc[nH]c(C#N)n1)C(=O)[C@@]1(C)CCNC1=O 1109620346 XAWIRHRMNBZBGY-HNNXBMFYSA-N 316.365 -0.443 30 20 DBED CCC(=O)NCC(=O)NCC1(Nc2nccnc2C#N)CC1 1110086653 MKMCYDFRKZFHEJ-UHFFFAOYSA-N 302.338 -0.065 30 20 DBED Cn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCC#N)cn1 1110271364 XGMLIQNYJIXQBG-UPJWGTAASA-N 316.365 -0.605 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1110500768 LMYBLAPGICJMJV-NFFDBFGFSA-N 320.393 -0.325 30 20 DBED C[C@@H]1C[C@@H](N=c2cc[nH]c(C#N)n2)CCN1C(=O)CNC(N)=O 1110508165 WSVKRGREGMSSCA-ZJUUUORDSA-N 317.353 -0.770 30 20 DBED C#CCOCCC(=O)N(C)[C@H]1CN(c2nccc(C)n2)C[C@@H]1O 1111190620 KZWDPHYULLXEJA-KBPBESRZSA-N 318.377 -0.167 30 20 DBED CCNC(=O)CC(=O)N(CCO)CCNc1ncccc1C#N 1111453799 XJAUWXQAAUXTFU-UHFFFAOYSA-N 319.365 -0.288 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CCN(c2cnc(C#N)cn2)C[C@H]1C 1112400599 ORDXEELFSNUWST-ZYHUDNBSSA-N 316.365 -0.185 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)c2cnn(C)c2)CC1 1112605990 AALONDHPFMZMAN-GFCCVEGCSA-N 303.366 -0.684 30 20 DBED COCCC(=O)NC[C@@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1112689446 NEIMSBWCPRACKM-PWSUYJOCSA-N 305.338 -0.702 30 20 DBED COCC(=O)NC[C@H]1CN(c2ncc(C#N)cc2F)C[C@H]1O 1112692749 RKODBJDMPCRPCR-CMPLNLGQSA-N 308.313 -0.348 30 20 DBED CS(=O)(=O)CC(=O)NC1CC(CNc2cnc(C#N)cn2)C1 1112819086 IJXKJKDHOZGHIR-UHFFFAOYSA-N 323.378 -0.300 30 20 DBED C#CCO[C@H](C)C(=O)N1CCN([C@H](C)c2nnnn2C)CC1 1112846524 QXMNJRLCQYSTGF-VXGBXAGGSA-N 306.370 -0.546 30 20 DBED C[C@@H](C(=O)N1CCN(CC(=O)NCC#N)CC1)c1cncnc1 1113254813 PFHABJJQOBNNBX-GFCCVEGCSA-N 316.365 -0.636 30 20 DBED C[C@@H](CNC(=O)[C@H]1COC(=O)N1)N(C)c1cnc(C#N)cn1 1113591010 NSVMTYSILQPZGT-WCBMZHEXSA-N 304.310 -0.602 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCN(CCNS(C)(=O)=O)CC1 1113713506 RUPZDIRXBCLQPP-LBPRGKRZSA-N 319.427 -0.729 30 20 DBED Cc1nc(C)c(C(=O)NC2[C@H]3CN(CC(=O)NCC#N)C[C@H]23)o1 1114092749 BRNNMNFDNDRGNK-QWRGUYRKSA-N 317.349 -0.409 30 20 DBED Cc1nccc(C(=O)N[C@H]2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]32)n1 1115248474 YDBANDXMFCXDLP-YABSGUDNSA-N 314.349 -0.915 30 20 DBED CCC(=O)NCC(=O)N(C)C[C@H](C)N=c1cc[nH]c(C#N)n1 1115658010 ICXSMRRMHZCXOF-JTQLQIEISA-N 304.354 -0.445 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N[C@@H]1CCCN(C(=O)OC)C1 1117146328 RZVLPZNRGLGIJQ-CYBMUJFWSA-N 319.361 -0.182 30 20 DBED COCCCOC1CCN(C(=O)NCC(=O)NCC#N)CC1 1117431890 PEJVLEUGQBGKIY-UHFFFAOYSA-N 312.370 -0.147 30 20 DBED Cn1nccc1C(=O)NC[C@@H](CO)Nc1cnc(C#N)cn1 1121178691 WKEVNHYXTNYTON-JTQLQIEISA-N 301.310 -0.715 30 20 DBED CN(CC(=O)NC1CC2(CC(NCC#N)C2)C1)S(C)(=O)=O 1121189482 ONUVWUSCWFDJHL-UHFFFAOYSA-N 314.411 -0.582 30 20 DBED Cn1cc(CC(=O)NC[C@H](CO)Nc2cncc(C#N)n2)cn1 1121190489 LJYXKJYCWKJNJT-GFCCVEGCSA-N 315.337 -0.787 30 20 DBED Cn1nnc2c(N[C@@H](CO)CNC(=O)C#CC3CC3)ncnc21 1121439956 XUJFREKXDXOBLQ-SNVBAGLBSA-N 315.337 -0.939 30 20 DBED C[C@]1(C(=O)NC[C@@H](CO)Nc2ccc(C#N)nn2)CCOC1 1121914631 QCJVZQSVIIXNBD-FZMZJTMJSA-N 305.338 -0.336 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H](CO)Nc1cncc(C#N)n1 1122034511 BASZVEHZHUKYRF-JQWIXIFHSA-N 303.322 -0.724 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H](CO)Nc1cncc(C#N)n1 1122034514 BASZVEHZHUKYRF-ZYHUDNBSSA-N 303.322 -0.724 30 20 DBED N#Cc1nc(=N[C@H](CO)CNC(=O)CCc2ccon2)cc[nH]1 1122234723 JDRHKNSZEXFWOA-NSHDSACASA-N 316.321 -0.720 30 20 DBED C[C@H](CC(N)=O)C(=O)NC[C@H](CO)Nc1ccc(C#N)nc1 1122354882 KCQZBRGHSTXWHM-BXKDBHETSA-N 305.338 -0.646 30 20 DBED N#CCSCC(=O)NCCNCC(=O)NCC(F)(F)F 1123788046 ZOOPUCKSTQREGT-UHFFFAOYSA-N 312.317 -0.373 30 20 DBED CCOCC(=O)N(C)C[C@H](O)CNc1nc(C)cc(C#N)n1 1124072421 RNLMTUWPEVTBPX-GFCCVEGCSA-N 307.354 -0.076 30 20 DBED Cc1cc(NC[C@H](O)CN(C)C(=O)[C@@H](C)C#N)nc(CO)n1 1124191035 KFZPZLBVTXSZEQ-ONGXEEELSA-N 307.354 -0.332 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)c1ccn(C)c1 1124247176 ZFNPGUPTYFNNOH-LBPRGKRZSA-N 314.349 -0.346 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cn(CC)nc1C1CC1 1128356111 CFWVAZLPAYOWFS-UHFFFAOYSA-N 317.393 -0.151 30 20 DBED CC[C@H](NC(C)=O)C(=O)NCc1cnn2c1CN(CC#N)CC2 1128498489 DPUXQXANGCUVOM-ZDUSSCGKSA-N 318.381 -0.247 30 20 DBED C[C@@H](CC(=O)NCCNCC(=O)NCC#N)c1ccncc1 1130195621 WUMHUFYTBGCQEK-LBPRGKRZSA-N 303.366 -0.079 30 20 DBED C#CCOCCC(=O)N[C@@H]1CC[C@@H](C)N(Cc2nnnn2C)C1 1132042087 PQKGDUMDBXWQCQ-CHWSQXEVSA-N 320.397 -0.281 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2cnn(C)n2)CC[C@@H]1C 1132342665 CVZMOYRCGWKUJO-RYUDHWBXSA-N 318.381 -0.853 30 20 DBED Cc1cn(C)nc1C(=O)N[C@@H](C)C[C@H](C)NCC(=O)NCC#N 1134335188 ZGFQUEUOKQCDGD-RYUDHWBXSA-N 320.397 -0.145 30 20 DBED C=C(C)CN(CC)C(=O)[C@H](C)NCCNC(=O)Cn1cncn1 1150284948 MPKWZWDRIRXQMX-ZDUSSCGKSA-N 322.413 -0.203 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1ncc2n1CCCC2 1151580585 QWCDSQGFCWUHEK-UHFFFAOYSA-N 304.354 -0.821 30 20 DBED CCN(CC#N)[C@H](C)CNC(=O)C1(n2cnnn2)CCOCC1 1155743462 GMOVKFIHGYGFEO-GFCCVEGCSA-N 321.385 -0.471 30 20 DBED C#CCNC(=O)CC(=O)NCCCNCc1nnc(C2CC2)o1 1156853012 USRAHGQSFBIFQZ-UHFFFAOYSA-N 319.365 -0.318 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)c2cnn(C)c2N)C1=O 1156943498 NYUXXGJRARMJSX-LBPRGKRZSA-N 320.397 -0.501 30 20 DBED C=CCNC(=O)CNCCCNC(=O)CCc1cnn(C)n1 1166813741 YOYSAZAFQNOSJY-UHFFFAOYSA-N 308.386 -0.854 30 20 DBED C[C@@H](CCCCNCC(=O)NCC#N)NC(=O)c1ncn(C)n1 1170577873 QPRZVIWYRDLBOE-NSHDSACASA-N 321.385 -0.667 30 20 DBED C=C(Cl)CNCCCNC(=O)Cn1nc(C)n(C)c1=O 1175018793 QGYOWDKIHXRBCL-UHFFFAOYSA-N 301.778 -0.261 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)NCCCNCC(=O)NC 1176961920 YZCDQRLYJVIRSG-UHFFFAOYSA-N 313.402 -0.908 30 20 DBED C#CCCN1CCO[C@@H]2CCN(C(=O)CCNC(=O)NC)C[C@H]21 1176998425 AKINHRKKDIUYES-ZIAGYGMSSA-N 322.409 -0.370 30 20 DBED C=CCO[C@H](C)C(=O)NCCCNCc1nnc2n1CCOC2 1177269812 WHTYBAMGGFTILY-GFCCVEGCSA-N 323.397 -0.005 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)CCOCCOC 1177300523 DQTIVPNUVMUDJU-CYBMUJFWSA-N 315.414 -0.174 30 20 DBED N#CCNC(=O)CN[C@@H]1CCN(C(=O)C2CC(F)(F)C2)C1 1181950700 QHHDMUGWTXWWBV-SNVBAGLBSA-N 300.309 -0.138 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)CC(=O)NCC)C1 1182145829 XWYQLBDKVKKEFJ-VXGBXAGGSA-N 310.398 -0.606 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)CCn2ccnn2)C1 1182179994 WFRUTOHLLPJRPT-GFCCVEGCSA-N 306.370 -0.839 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)c2ccc(C)nn2)C1 1182440904 GZTJCBOQHMDNOJ-GFCCVEGCSA-N 303.366 -0.109 30 20 DBED C#CCNC[C@H]1CN(C(=O)[C@H]2CNC(=O)N2)CC12CCOCC2 1186464335 KJPHGTLFDCKUCL-QWHCGFSZSA-N 320.393 -0.854 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@H]1CCN(C(=O)c2ccnn2C)C1 1189232783 QZOPLWYKQPVDSN-OLZOCXBDSA-N 317.393 -0.296 30 20 DBED CN(CC(=O)NCC#N)[C@@H]1CCN(C(=O)[C@H]2CCCOC2)C1 1189327001 KIQIUCZODCBYTH-QWHCGFSZSA-N 308.382 -0.415 30 20 DBED C=CCOCC(=O)N[C@@H]1CN([C@H](C)c2noc(C)n2)C[C@H]1O 1191772191 XGXXZSJEEMJJRX-YUSALJHKSA-N 310.354 -0.197 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(Cc2nnc(C)s2)C[C@H]1O 1191778152 SUEQVKLGISOOPL-GHMZBOCLSA-N 312.395 -0.290 30 20 DBED CCN(C(=O)CN1C[C@@H](O)[C@H](NC(=O)C#CC2CC2)C1)C1CC1 1192826878 KWAFCXHGCXPBJT-HUUCEWRRSA-N 319.405 -0.428 30 20 DBED C=CCCN(C)[C@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 1194255564 IPYZRTLRKPJGIV-NSHDSACASA-N 306.370 -0.514 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)N1CC[C@@H](N(C)CCO)C1 1194266103 KYBZKQVOUBEHLX-GFCCVEGCSA-N 312.414 -0.225 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)[C@@H](C)OCC=C)C1 1194397258 RPBNBRGKXFXDBG-ZIAGYGMSSA-N 307.394 -0.140 30 20 DBED C#CCNC[C@H]1CN(C(=O)CC2CS(=O)(=O)C2)CCCO1 1200850436 HBYNGLAOVIBEDL-ZDUSSCGKSA-N 314.407 -0.739 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)CCCN(C)C)CC1 1206074150 JZYTYUPXMQGOQE-UHFFFAOYSA-N 322.453 -0.094 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(CC(=O)N2CCC2)C[C@H]1C 1206914563 JQWOEYAUIXRLCJ-XJKCOSOUSA-N 309.410 -0.018 30 20 DBED C=CCCNCC1CCN(C(=O)c2cn(CC(N)=O)nn2)CC1 1206951536 XCEYZOFOOWTPNK-UHFFFAOYSA-N 320.397 -0.219 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H](NCC(=O)NC(=O)NC2CC2)C1 1207688779 SKWYSJBLHBYCRN-ZYHUDNBSSA-N 321.381 -0.285 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)Cc2cc[nH]n2)C1 1207731976 YEUIHEICKGXTDU-CYBMUJFWSA-N 303.366 -0.718 30 20 DBED C=CCOCCN1C[C@@H](NC(=O)c2nnc(O)nc2O)[C@H](C)C1 1207867822 AXPWOOWWJWCEFR-NXEZZACHSA-N 323.353 -0.465 30 20 DBED C=C(C)CCN[C@H]1CCCN(C(=O)CN2CCNC(=O)C2)C1 1208930744 OBWXAWMRIPHZEW-AWEZNQCLSA-N 308.426 -0.035 30 20 DBED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)c1ccc[nH]1 1211835979 QZFHSNICAQLRGO-VXGBXAGGSA-N 305.338 -0.917 30 20 DBED C#CCCN1C[C@@H](NC(=O)[C@H](OC)c2cnn(C)c2)[C@H](OC)C1 1213228033 JHBAPUDFGWKWSO-RBSFLKMASA-N 320.393 -0.054 30 20 DBED CC[C@@H]1CCO[C@@H]1C(=O)N1C[C@@H](NCC(=O)NCC#N)[C@H](C)C1 1214892391 MJLFOOMSECZEAR-BHPKHCPMSA-N 322.409 -0.122 30 20 DBED N#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)/C=C\c2ccco2)C1 1219114106 MYPZUWDWLRJYDA-JXLSXLBDSA-N 318.333 -0.906 30 20 DBED Cn1ncnc1CN1C[C@H](O)[C@H](NC(=O)C#CC(C)(C)C)C1 1219596099 FVAFYWUCHAGYOZ-NEPJUHHUSA-N 305.382 -0.474 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)[C@H]2CCCN2C)CC1 1222613351 XPNJLMYVXUCLSR-OAHLLOKOSA-N 320.437 -0.342 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCO1 1224630360 RYWVHTIFFGSQRJ-UPJWGTAASA-N 308.382 -0.178 30 20 DBED N#CCNC(=O)CN1CCC(CNC(=O)c2ccncn2)CC1 1224904453 MQSMFHFUTNBWBT-UHFFFAOYSA-N 316.365 -0.442 30 20 DBED O=C(C#CC1CC1)NCC[C@@H]1CN(CCF)CCS1(=O)=O 1230461820 HAPKTUCLVVBOEX-CYBMUJFWSA-N 316.398 -0.025 30 20 DBED C=CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)c1cnccn1 1230638536 OWOFYFZWRDILNI-GFCCVEGCSA-N 303.366 -0.075 30 20 DBED C=CCNC(=O)[C@H](C)N1CC[C@H]1CN(C)C(=O)CC(=O)NC 1233857152 OUVHDGHQNAFNMO-RYUDHWBXSA-N 310.398 -0.654 30 20 DBED C#CCOCCNC(=O)C(=O)N1CC[C@H]2[C@@H](CCCN2C)C1 1260309247 IDNRBOAQNRUHBU-KBPBESRZSA-N 307.394 -0.305 30 20 DBED C#CC1CCN(C(=O)C(=O)NC[C@@H](C)S(C)(=O)=O)CC1 1261468981 QNYILKRRYAHVFZ-SNVBAGLBSA-N 300.380 -0.593 30 20 DBED C=CCOCC(=O)N(C)C[C@@H](O)CNC(=O)[C@H]1CCCN1C 1288065984 DHRMNRNQYQLBPJ-QWHCGFSZSA-N 313.398 -0.781 30 20 DBED C=CCOCCCC(=O)OCC(=O)N[C@H]1CCS(=O)(=O)C1 1318890493 UWMVVFFNXMQTIY-NSHDSACASA-N 319.379 -0.184 30 20 DBED COCCCn1ccc(NC(=O)C(=O)N2CCO[C@H](C#N)C2)n1 1319105050 JTWTTYSYBHXVGH-LLVKDONJSA-N 321.337 -0.391 30 20 DBED C[C@@H](O)CN(C(=O)C(=O)Nc1ccn(CCC#N)n1)[C@H](C)CO 1320935373 ARHZQXIYJLHKEF-GHMZBOCLSA-N 323.353 -0.675 30 20 DBED N#Cc1ccc(NC(=O)C(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)cc1 1323859509 XGDLFSFMKHIHAT-NEPJUHHUSA-N 316.317 -0.354 30 20 DBED CNCCCc1[nH]nc(NC(=O)[C@H]2CN(C)CCO2)c1C#N 1324502160 MMKCONXUCDLUHD-GFCCVEGCSA-N 306.370 -0.298 30 20 DBED C[C@]1(C#N)CCCN(C(=O)C(=O)N2CCC(O)(CO)CC2)C1 1327360815 FPRKAWCUSCPBAO-CQSZACIVSA-N 309.366 -0.516 30 20 DBED CON1CCN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)CC1 1329326338 ULTLHWKIICTLJR-YPKPFQOOSA-N 308.338 -0.392 30 20 DBED C#CCNC(=O)CCN[C@H]1CCc2c(nc(C)n2CCO)C1 1329433997 USIPHLLGXGGXGN-ZDUSSCGKSA-N 304.394 -0.230 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N[C@@H]1CCN(CC)C1=O 1330277546 KKHYFRYGPFZFRF-VXGBXAGGSA-N 309.366 -0.732 30 20 DBED C=C(C)CN(C)C(=O)C(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1 1331005899 RIUJOULCDKFRLT-NSHDSACASA-N 317.411 -0.487 30 20 DBED C#CCNC(=O)C1CCN(CN2C(=O)[C@H]3CC[C@H]3C2=O)CC1 1331006732 CHNLFAVPUYMKEQ-BETUJISGSA-N 303.362 -0.200 30 20 DBED C#CCOCCn1nnnc1N1CCO[C@H](COC(C)C)C1 1335756051 MBZGCXZFMDGCOH-ZDUSSCGKSA-N 309.370 -0.047 30 20 DBED C#C[C@@H](C)N(C)c1nnc(Cn2cnc(C#N)n2)n1CCOC 1343248831 GUZRRTRUAUNGOX-LLVKDONJSA-N 314.353 -0.106 30 20 DBED C=CCNC(=O)[C@H](C)OC(=O)C1(S(C)(=O)=O)CCOCC1 1343797434 QVTMEWSRUVVJCF-JTQLQIEISA-N 319.379 -0.186 30 20 DBED C[C@H](CO)[C@@H]1CCCCN1C(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1350278029 DMKQDGOJQUGQNG-WWGRRREGSA-N 323.393 -0.127 30 20 DBED C=CCn1c(-c2cn(CCO)nn2)nnc1N1CC(C)(OC)C1 1352163419 RWDWTNXWLZYJBV-UHFFFAOYSA-N 319.369 -0.060 30 20 DBED C=CC1CCN(C(=O)C(=O)N[C@H]2CS(=O)(=O)C[C@H]2C)CC1 1353840274 QUHJZWNPKWLORV-PWSUYJOCSA-N 314.407 -0.040 30 20 DBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nn1cnnc1 1362553346 GPUUVUCSLVNMDM-SECBINFHSA-N 320.334 -0.413 30 20 DBED N#Cc1cn(CCNC(=O)[C@H]2C[C@H]3CC[C@H]2O3)c(=O)nc1O 1363286851 KSWGJMGJPBTYBL-OUAUKWLOSA-N 304.306 -0.496 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)NCC2CC3(C2)OCCO3)CCO1 1364953989 MYNFDKUIMBPJGK-LLVKDONJSA-N 317.367 -0.802 30 20 DBED C[C@H](CCNC(=O)c1cc(C#N)c[nH]1)NCc1nc(=O)n(C)[nH]1 1366446812 HDJJYIWURFLLMF-SECBINFHSA-N 317.353 -0.394 30 20 DBED CCN(CCC#N)C(=O)CN[C@H]1CCN(C(=O)COC)[C@@H]1C 1369395345 YVOVLSANBBMDRF-OLZOCXBDSA-N 310.398 -0.026 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1C[C@@H](NC(=O)c2ccc(O)nn2)C1 1371706142 PKIWZGUFXBPOOG-LPEHRKFASA-N 303.322 -0.034 30 20 DBED C[C@H](C#N)C(=O)NCC1CN(C(=O)[C@@H]2CCCCN2C(N)=O)C1 1374898644 KITRTEVOYZQOEB-PWSUYJOCSA-N 321.381 -0.346 30 20 DBED CC(=O)N1CC(C(=O)N2CC[C@](C)(CNC(=O)[C@H](C)C#N)C2)C1 1379850470 ZISPFKPOJDWCHG-BDJLRTHQSA-N 320.393 -0.021 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CCCN1C(=O)CN1CCOCC1=O 1387394704 XPDHECXMQHWOIV-VXGBXAGGSA-N 322.365 -0.888 30 20 DBED C=C(Cl)CNC[C@H]1CCCN1C(=O)CN1CCNC(=O)C1 1393050463 PXNCYVUOGRLBAM-GFCCVEGCSA-N 314.817 -0.249 30 20 DBED CCCS(=O)(=O)CC(=O)NC[C@H](C)N(C)C(=O)[C@H](C)C#N 1395087146 GAVMRWIKQHPZRM-MNOVXSKESA-N 317.411 -0.066 30 20 DBED CC(C)CNC(=O)NC(=O)CN[C@H]1C[C@H](NC(=O)[C@@H](C)C#N)C1 1402504715 ZFPOEHJLZWHNPI-SRVKXCTJSA-N 323.397 -0.135 30 20 DBED Cc1nnsc1C(=O)N(C)C[C@H](O)CNC(=O)[C@@H](C)C#N 1405570030 UJQDCADJVIPVNK-IONNQARKSA-N 311.367 -0.445 30 20 DBED N#CCC1(CNC(=O)c2cn(C[C@@H]3CNC(=O)O3)nn2)CC1 1411373413 NAJKCVIBQNQQKI-VIFPVBQESA-N 304.310 -0.190 30 20 DBED N#Cc1ncccc1S(=O)(=O)N1CCN(c2nc[nH]n2)CC1 1413424754 FOMUUTAAFOSDFU-UHFFFAOYSA-N 319.350 -0.418 30 20 DBED N#Cc1cn(CCC(=O)N[C@@H]2CCN(C3CC3)C2)c(=O)nc1O 1417620467 WAPHNFVRNDBWOP-LLVKDONJSA-N 317.349 -0.436 30 20 DBED C=C(Cl)CN1CCN(CCNC(=O)Cc2nc[nH]n2)CC1 1417927545 JPTWCIFOSLRLTA-UHFFFAOYSA-N 312.805 -0.167 30 20 DBED C=C(Cl)CNCC1(O)CCN(C(=O)CS(C)(=O)=O)CC1 1422082984 QPLLTCGXOZPEQK-UHFFFAOYSA-N 324.830 -0.273 30 20 DBED CC(C)OCC(=O)N[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1O 1428899081 MKTRDNDBBKFXFC-OLZOCXBDSA-N 320.349 -0.387 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(CCNC(=O)c2csnn2)CC1 1429798602 SUOSCHZLIOFIQD-JTQLQIEISA-N 322.394 -0.428 30 20 DBED CCN(CCNC(=O)[C@H]1CCCS1(=O)=O)C(=O)[C@@H](C)C#N 1431640332 ZXKSSDPNJDRERU-WDEREUQCSA-N 315.395 -0.312 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)NC1CN(c2ccncn2)C1 1434613443 KTWUQUBHMIQBBO-SNVBAGLBSA-N 310.383 -0.266 30 20 DBED N#CCc1ccccc1S(=O)(=O)NC[C@@H](O)Cn1ccnn1 1475371583 ACIUSOJGWWWUBT-GFCCVEGCSA-N 321.362 -0.316 30 20 DBED C=CCNC(=O)CN1CCC[C@@H](NC(=O)[C@@H](COC)OC)C1 1479910023 CBWZTLASPIRLOD-CHWSQXEVSA-N 313.398 -0.469 30 20 DBED N#CCNC(=O)CN1CCC[C@@H]1CNC(=O)C[C@H]1CCOC1 1481033032 QOOVVFJQJHWDJF-CHWSQXEVSA-N 308.382 -0.367 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)CCc2cnccn2)C1 1490567870 ODEQCTMEMYRKIC-AWEZNQCLSA-N 315.377 -0.651 30 20 DBED Cc1cc(C(=O)N2CC(NC(=O)[C@@H](C)C#N)C2)ncc1C(N)=O 1530618114 LUTLLWXVJFLWTG-VIFPVBQESA-N 315.333 -0.411 30 20 DBED C[C@H](C#N)C(=O)NC1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1573575982 CGNCDVAXNBUYFF-SSDOTTSWSA-N 314.309 -0.705 30 20 DBED C[C@@H](CNC(=O)[C@H](C)C#N)N(C)c1nccnc1-c1nn[nH]n1 1573577076 LVKQATSMYSEHBT-BDAKNGLRSA-N 315.341 -0.243 30 20 DBED C[C@@H]1CS(=O)(=O)CCCN1C(=O)N[C@H]1CNC[C@@H]1C#N 1576860407 ITIMEPHHFHVZDS-VWYCJHECSA-N 300.384 -0.683 30 20 DBED N#Cc1cccc(C(=O)NCC[C@H]2CNCCS2(=O)=O)n1 1580073676 CSNJDZLFYMNTIR-NSHDSACASA-N 308.363 -0.540 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCN(c2ccnc(C(=O)O)n2)C1 1588490203 VQSSETFTTDLSTL-LLVKDONJSA-N 318.333 -0.090 30 20 DBED C=CCN(C)C[C@@H](O)CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 1588626854 SPJHROLUBOUDOI-LLVKDONJSA-N 319.369 -0.255 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)NC2CCC(C(=O)O)CC2)C1 1594606578 WEZUOBUGHUPVBC-NWHVRFAMSA-N 323.349 -0.377 30 20 DBED N#Cc1cccc(NC(=O)C(=O)N2CCO[C@@H](CC(=O)O)C2)n1 1601123032 YKUMXGZODHVMBB-JTQLQIEISA-N 318.289 -0.406 30 20 DBED N#Cc1ncn(CC(=O)NC[C@@H](Cc2ccncc2)C(=O)O)n1 1601135425 VNCKTTAXRIFFQE-LLVKDONJSA-N 314.305 -0.396 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)[C@H]1C[C@H]1C(=O)O 1605448294 ZGOWQPDZKKGTRQ-VHSXEESVSA-N 303.322 -0.249 30 20 DBED N#C[C@]1(C(=O)N[C@H]2CCCCN(CC(=O)O)C2=O)CCCOC1 1605577115 WXUJOZRWDHLCOR-XHDPSFHLSA-N 323.349 -0.111 30 20 DBED N#Cc1cn(CC(=O)O)c(=O)n(C[C@@H]2C[C@H]3CCC[C@@H]3O2)c1=O 1605623093 UQDJCPPIEFPKSV-USWWRNFRSA-N 319.317 -0.076 30 20 DBED N#CCN1CCOC[C@@H]1CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 1606350488 YXLOFHYMHIJEDB-VIFPVBQESA-N 316.325 -0.851 30 20 DBED N#CC1(CS(=O)(=O)NC2CCN(CC(N)=O)CC2)CC1 1647427728 PAXNKSVRVCICIZ-UHFFFAOYSA-N 300.384 -0.841 30 20 DBED CCn1c(CN2CCC[C@@H](O)C2)nnc1N1CCO[C@@H](C#N)C1 1647709873 CNKAWCDZUANOHR-OLZOCXBDSA-N 320.397 -0.017 30 20 DBED CCn1c([C@@H]2SCCNC2=O)nnc1N1CCO[C@H](C#N)C1 1647719601 ZEKKTBXJVFURJQ-ZJUUUORDSA-N 322.394 -0.069 30 20 DBED CS(=O)(=O)Nc1ccccc1CC(=O)N[C@@H]1CNC[C@@H]1C#N 1649851197 LASIPVPVIKDCKK-WCQYABFASA-N 322.390 -0.172 30 20 DBED C#CCNC(=O)CNC[C@@H](NC(=O)[C@H]1CCCN1C)C1CC1 1716617516 LCHGCQOKJLZGJQ-ZIAGYGMSSA-N 306.410 -0.686 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@H](NC(=O)[C@H]2CCCCN2CC)C1 1752686873 DIHIBVSRBGTXJM-RBSFLKMASA-N 320.437 -0.153 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)NC1CN([C@H](C)C(=O)N(C)C)C1 1753388195 MJUORBRAVOAXDS-BXUZGUMPSA-N 324.425 -0.266 30 20 DBED C#CCNC(=O)[C@H](C)N1CC(NC(=O)CCn2cccc2)C1 1753389526 HDSBWAPQKUHWQN-ZDUSSCGKSA-N 302.378 -0.184 30 20 DBED C#CCNC(=O)CN[C@@H](CC)CNC(=O)C[C@@H]1CCN(C)C1 1753495024 COTZTROCYDIYKO-KBPBESRZSA-N 308.426 -0.438 30 20 DBED N#CCNC(=O)CN1CCO[C@@H](CNC(=O)[C@@H]2[C@H]3CCC[C@H]32)C1 1753655039 ACURMMBOXKJPJJ-RMRHIDDWSA-N 320.393 -0.511 30 20 DBED C#CCCNC[C@H]1CCC[C@H]1NC(=O)Cn1ccc(O)nc1=O 1753887197 BKMADEQKQTVLQD-CHWSQXEVSA-N 318.377 -0.153 30 20 DBED N#CCNC[C@H](O)CNC(=O)c1ccn(CC(F)(F)F)n1 1753913868 CDWNEMNZVBSFEO-QMMMGPOBSA-N 305.260 -0.351 30 20 DBED C[C@H](CNCC(=O)NC[C@H]1CCCO1)NC(=O)C#CC1CC1 1754226545 QVPHGEBIDQPYTD-TZMCWYRMSA-N 307.394 -0.211 30 20 DBED CN(CCCN[C@H]1CCC(=O)NC1=O)C(=O)CSCC#N 1754358818 SUUDXHTZKNMTAX-JTQLQIEISA-N 312.395 -0.514 30 20 DBED CC(C)N1CCC[C@H]1C(=O)NCC1(NCC(=O)NCC#N)CC1 1754515457 RZUSFEHNVLLBQO-ZDUSSCGKSA-N 321.425 -0.263 30 20 DBED C=CCNC[C@@H]1CN(C(=O)CCS(=O)(=O)NC)C[C@@H]1C 1754815220 OACKKTXHVFYGDR-NWDGAFQWSA-N 303.428 -0.204 30 20 DBED C=CCN[C@@]1(CO)CCCN(C(=O)CC2CS(=O)(=O)C2)C1 1755086232 PXRNYDVGZOCGCF-AWEZNQCLSA-N 316.423 -0.450 30 20 DBED C#CCN(C)C[C@@H]1CCCN1C(=O)COCc1nncn1C 1755201091 NUXDRIOGVJQWRD-ZDUSSCGKSA-N 305.382 -0.112 30 20 DBED CC#CCN[C@@H](C)[C@@H](C)NC(=O)Cn1nc2n(c1=O)CCCC2 1755263710 RTPNQIFKIAGEMP-QWHCGFSZSA-N 319.409 -0.113 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H](CO)NCC(=O)NC(C)C)nc1 1755644614 ANKLFKFJAUCKJM-ZDUSSCGKSA-N 318.377 -0.732 30 20 DBED C#CCNC(=O)CNC1CC(N(C)C(=O)c2[nH]c(O)nc2C)C1 1755857467 PLRUMZHPHNCZDK-UHFFFAOYSA-N 319.365 -0.634 30 20 DBED CNC(=O)NCC(=O)N1C[C@H](NC(=O)C#CC(C)C)C(C)(C)C1 1756177411 WFSXZAXBMXZASA-LBPRGKRZSA-N 322.409 -0.072 30 20 DBED COC(=O)NCC(=O)N1C[C@H]2[C@H](CNC(=O)C#CC3CC3)[C@H]2C1 1756198305 PJSIIVOTSCYIJB-XYYAHUGASA-N 319.361 -0.424 30 20 DBED N#CCSCC(=O)N[C@@H](CO)CNC(=O)Cc1ccc[nH]1 1756526777 YGHNMQZVVUZIRR-LLVKDONJSA-N 310.379 -0.593 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@H](C)N(CC)C(=O)Cn1cnnn1 1756851997 VJSNQLBMTJWXSL-RISCZKNCSA-N 324.385 -0.647 30 20 DBED C=CCC(=O)N1CC[C@]2(C1)CN(C(=O)CNC(C)=O)CCO2 1783922436 WDDZLOZMDQYTRY-HNNXBMFYSA-N 309.366 -0.472 30 20 DBED N#CCC(=O)N1CC[C@H](CNC(=O)C(O)O)[C@@H]1c1cccnc1 1802917283 OGLBOSGXPKHMPK-YPMHNXCESA-N 318.333 -0.688 30 20 DBED O=C(O)C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CCOC1 1803238648 ZRJWJRWSDMJKMF-RVMXOQNASA-N 320.345 -0.251 30 20 DBED Cn1cc(C#N)c(=O)n(CC(=O)Nc2sccc2C#N)c1=O 11458336 PTBWRDFSXMAAHJ-UHFFFAOYSA-N 315.314 -0.009 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(CC(=O)N2CCCC2)CC1 52661682 WOZIGWYCMUQHGA-CQSZACIVSA-N 308.426 -0.083 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)CCc2cnn(C)c2)CC1 55078536 ZWFIBBUFTNLBKA-UHFFFAOYSA-N 319.409 -0.201 30 20 DBED CN1CCN(C(=O)CNS(=O)(=O)c2ccccc2C#N)CC1 62063942 QBFYQGASVMDMNT-UHFFFAOYSA-N 322.390 -0.389 30 20 DBED N#Cc1ccc(C(=O)N2CCN(CC(=O)NC3CC3)CC2)[nH]1 152021052 LPXDYZPVUWIOJW-UHFFFAOYSA-N 301.350 -0.077 30 20 DBED C[C@@](CO)(CNS(=O)(=O)c1ccc(C#N)nc1)CC(=O)O 275530880 BUOGFDXOACKJFE-LBPRGKRZSA-N 313.335 -0.295 30 20 DBED C[C@H](O)CN(C(=O)C(=O)NCc1cccc(C#N)c1)[C@@H](C)CO 283898127 HSUYIXYZXFUATB-RYUDHWBXSA-N 319.361 -0.235 30 20 DBED CC(C)[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccc(C#N)cn1 294925444 XFWDFEFCBGGWLR-LBPRGKRZSA-N 315.333 -0.125 30 20 DBED CC(C)N1C(=O)C[C@H](NS(=O)(=O)N(C)[C@@H](C)CC#N)C1=O 330425275 SELOFNHBMCSDDB-UWVGGRQHSA-N 316.383 -0.409 30 20 DBED Cc1nc(C(=O)N[C@H](CO)CN2CCOCC2)ccc1C#N 330439947 CWCIRHWLBNTBMJ-ZDUSSCGKSA-N 304.350 -0.315 30 20 DBED CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@H](C)C#N)cc1 330441187 DLGTUESBQBCOIR-MRVPVSSYSA-N 303.365 -0.215 30 20 DBED C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cn(C)cn1 330500294 NYYHZASLADJUSX-JTQLQIEISA-N 319.408 -0.216 30 20 DBED CC[C@@H]1CN(S(=O)(=O)N2CCO[C@@H](C#N)C2)C[C@@H](C)O1 337074755 QYQDOSHRHKLHJR-UTUOFQBUSA-N 303.384 -0.045 30 20 DBED CCN1CCCC[C@@H]1CNS(=O)(=O)N1CCO[C@@H](C#N)C1 337097967 SODGHTPBKHBBHT-OLZOCXBDSA-N 316.427 -0.080 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N1CCN(C[C@@H](C)O)CC1 337154484 MXRLKDHJJMLWSN-VXGBXAGGSA-N 304.416 -0.679 30 20 DBED C=CCN1CCC(NC(=O)C(=O)N2C[C@@H](CO)[C@@H](C)C2)CC1 343764196 KDEOJOLSQCYCNK-STQMWFEESA-N 309.410 -0.160 30 20 DBED C=CCOCC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 354604822 ULLLDQYQFAZVFY-UHFFFAOYSA-N 309.366 -0.518 30 20 DBED C[C@H]1CN(C2CCOCC2)CCN1C(=O)NCC(=O)NCC#N 358295086 OOIQKWFTXASNLF-LBPRGKRZSA-N 323.397 -0.479 30 20 DBED N#C[C@@]1(NC(=O)CCCS(=O)(=O)N2CCCC2)CCOC1 358474386 MDKVQAZDRICVRZ-ZDUSSCGKSA-N 315.395 -0.009 30 20 DBED CN(C)C1CCN(CCNC(=O)N2CCO[C@@H](C#N)C2)CC1 408010889 RDUNOBSOACONBJ-AWEZNQCLSA-N 309.414 -0.054 30 20 DBED C#CCN1CCN(C(=O)CN2C(=O)N[C@@H](CC(C)C)C2=O)CC1 490762761 MNEJFEHYASVJPO-ZDUSSCGKSA-N 320.393 -0.270 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CCC(=O)C[C@H]2C)CC1 491724675 GTJJFXCQQXZISF-UKRRQHHQSA-N 319.405 -0.115 30 20 DBED CN(C)CCN1C[C@@H](C(=O)NC2(C#N)CCN(C)CC2)CC1=O 530577026 PUAJWLUPEDUSCD-ZDUSSCGKSA-N 321.425 -0.499 30 20 DBED CS(=O)(=O)Nc1ccc(F)cc1C(=O)NCC#CCO 549714208 KQRCYMWEQAGJMS-UHFFFAOYSA-N 300.311 -0.077 30 20 DBED C[C@H]1CN(C(=O)NCCn2cnc(C#N)n2)C[C@]2(CCOC2)O1 553968642 DJUGAVVSXOIUGY-FZMZJTMJSA-N 320.353 -0.261 30 20 DBED CCC[C@H](O)[C@@H](CO)NC(=O)C(=O)Nc1cccc(C#N)n1 563104749 WPAQAWAGTWAXBM-MNOVXSKESA-N 306.322 -0.470 30 20 DBED N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@H](CN)C2CC2)cc1 563156893 YIRLIBYSUHWPQR-CYBMUJFWSA-N 322.390 -0.310 30 20 DBED C=CCC[C@@H](NC(=O)c1nc(N)nc(N(C)C)n1)C(=O)OCC 566016636 PFXXUKFQMAOZLW-SECBINFHSA-N 322.369 0.148 30 20 DBED CC(C)N(C[C@@H](O)CO)C(=O)C(=O)Nc1cccc(C#N)n1 579590539 OGEWSJQYOXAFLG-LLVKDONJSA-N 306.322 -0.518 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(C)C[C@H]2CCCN2C)C1=O 583806081 CVTGWKGRILWNEO-LLVKDONJSA-N 322.365 -0.484 30 20 DBED C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1CC[C@](O)(CC#N)C1 592152441 XUVPIEFYYSQJSI-LALPHHSUSA-N 308.382 -0.551 30 20 DBED CC(C)(C)[C@H](C#N)NC(=O)[C@H]1CCCN(S(N)(=O)=O)C1 597351373 QGNKZESWXKHZQL-UWVGGRQHSA-N 302.400 -0.044 30 20 DBED CC1(C)C[C@]1(C#N)NC(=O)[C@H]1CCCN(S(N)(=O)=O)C1 597670243 OQMJIZOJOZEWIE-JOYOIKCWSA-N 300.384 -0.290 30 20 DBED N#Cc1cccc(C(=O)N2CCCC[C@H]2CNS(N)(=O)=O)n1 597736658 MQYZHPCVPHQFCE-NSHDSACASA-N 323.378 -0.259 30 20 DBED COCCN(CCC#N)S(=O)(=O)NCc1cccnc1O 599497046 BBKLABXVWHWCPH-UHFFFAOYSA-N 314.367 -0.016 30 20 DBED CN(C)[C@H]1CN(S(=O)(=O)c2ccc(F)cc2C#N)C[C@@H]1O 601415248 DORAKRFAUIUNSF-RYUDHWBXSA-N 313.354 -0.007 30 20 DBED C[C@H](CC#N)NC(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 610291418 XCVJJCZMUGSNOM-AIPRNEOBSA-N 305.334 -0.043 30 20 DBED CN(CCC#N)S(=O)(=O)N1CCN([C@H]2CCC[C@@H]2O)CC1 611540603 FKTPWOUFKHMUQU-STQMWFEESA-N 316.427 -0.392 30 20 DBED N#CCc1cccc(S(=O)(=O)N2CCO[C@@H](C(N)=O)C2)c1 619480282 ZBNYTWFWOIXQAX-GFCCVEGCSA-N 309.347 -0.373 30 20 DBED N#CCNC(=O)COC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 731236016 NYCTUSRAKLZSCJ-SNVBAGLBSA-N 305.290 -0.189 30 20 DBED Cc1nc(S(=O)(=O)NCCC(=O)O[C@@H](C)C#N)cn1C 750622204 UZBRTDQYRXDSAH-QMMMGPOBSA-N 300.340 -0.148 30 20 DBED CNS(=O)(=O)[C@@H]1CCN(Cn2ccc(C)c(C#N)c2=O)C1 758238758 KIHHMDPHFBCMDH-LLVKDONJSA-N 310.379 -0.391 30 20 DBED C#C[C@@H](NC(=O)Nc1ncn(CC(=O)N(C)C)n1)[C@H]1CCCO1 775643811 YEQLQSVACMXFGR-GHMZBOCLSA-N 320.353 -0.331 30 20 DBED N#C[C@@H]1CN(C(=O)[C@@H](O)[C@@H](O)c2nc3ccccc3[nH]2)CCO1 779767924 JSUUHZXZVSJMEP-WQAKAFBOSA-N 316.317 -0.292 30 20 DBED COC(=O)c1cc(C(=O)NS(=O)(=O)CCCC#N)on1 781471089 RFYBQBYEDGJNGE-UHFFFAOYSA-N 301.280 -0.175 30 20 DBED C[C@@H]1COCCN1C(=O)C(=O)NCCNc1ncccc1C#N 787780672 ZTMQORUCVZWGGQ-LLVKDONJSA-N 317.349 -0.271 30 20 DBED C#CCOc1ccc(NC(=O)C(=O)N[C@@H](CO)COC)cc1 797372310 WPGQKFNKYJYWLQ-LBPRGKRZSA-N 306.318 -0.239 30 20 DBED N#CCNC(=O)CNC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 804820253 DFJAFHYREVJUAV-SNVBAGLBSA-N 318.308 -0.065 30 20 DBED C#C[C@@H](NC(=O)NCCCn1cc(CO)nn1)[C@H]1CCCO1 812199556 BDDINCWWODSCQH-CHWSQXEVSA-N 307.354 -0.360 30 20 DBED CCN(C[C@H](C)C#N)c1c(-c2nn[nH]n2)c(=O)n(C)c(=O)n1C 821170107 MOYBBIRIKWSPCS-MRVPVSSYSA-N 318.341 -0.750 30 20 DBED Cc1nc(-c2nn[nH]n2)c(NN=Cc2cn(CC(=O)O)nn2)o1 822423101 HQCDZLJUPLDDAQ-UHFFFAOYSA-N 318.257 -0.715 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)NCCN(C)C(=O)OC 850709181 JJBYVZJRUTWVDP-UHFFFAOYSA-N 313.354 -0.701 30 20 DBED C[C@@H]1C(=O)N(N=Cc2ccc(S(N)(=O)=O)cc2)C(=O)N1C 857216082 KISUQZIDIGAHIC-MRVPVSSYSA-N 310.335 -0.050 30 20 DBED C=CCN1CCC(NC(=O)N(C)CCS(N)(=O)=O)CC1 872901633 GEUQDROQRIXYPF-UHFFFAOYSA-N 304.416 -0.433 30 20 DBED CN(C)S(=O)(=O)NCC(=O)NCCC#C[Si](C)(C)C 912327311 MRYFXHWKKNDHJU-UHFFFAOYSA-N 305.476 -0.231 30 20 DBED C#CCN1CCC[C@@H](NC(=O)CCN2CCCS2(=O)=O)C1 923586366 QDBGDHBRVYRCOE-CYBMUJFWSA-N 313.423 -0.374 30 20 DBED CN(C)C(=O)CN1CCN(C(=O)CN2CCC[C@@H](C#N)C2)CC1 932159301 XLHNJFXABAOXRX-AWEZNQCLSA-N 321.425 -0.546 30 20 DBED Cc1nc(O)nc(O)c1CC(=O)N1C[C@@H](NCC#N)[C@H](C)C1 939388492 JVELKMYKAYYZNY-LDYMZIIASA-N 305.338 -0.301 30 20 DBED C[C@H]1CN(CC#N)CC[C@H]1NC(=O)c1cnn2c(=O)cc[nH]c12 943467181 USDGKRQEFVSUTQ-CMPLNLGQSA-N 314.349 -0.014 30 20 DBED CC[C@H]1CN(C(=O)C(N)=O)CC[C@@H]1NC(=O)c1ccc(C#N)[nH]1 948524533 HNCOZXWCBKOVGQ-ONGXEEELSA-N 317.349 -0.271 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1ncc[nH]1 950754977 ARBLWXBGMMYXFK-OLZOCXBDSA-N 315.377 -0.162 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@@H]2CNC(=O)[C@@H]2CCNC2=O)c1 951460576 ZELWWQUEKSJDQI-GHMZBOCLSA-N 315.333 -0.647 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H](NC(=O)Cn2cnnc2O)C1 951868077 PGCGLVJSCKNHFY-UWVGGRQHSA-N 306.326 -0.749 30 20 DBED C=CCn1cc(C(=O)N(C)C2CN(C(=O)[C@@H]3CCOC3)C2)nn1 954308456 RDQCHNURYGDMAR-LLVKDONJSA-N 319.365 -0.217 30 20 DBED C[C@H]1CCN(C(=O)C(=O)N(C)C2CN(C(=O)C#CC3CC3)C2)C1 955385320 WFSUYOCSYRRFJS-LBPRGKRZSA-N 317.389 -0.063 30 20 DBED C#Cc1ccc(C(=O)N(CC)C2CN(CC(=O)NC)C2)nc1 957288764 YJYXBFIYISPOHD-UHFFFAOYSA-N 300.362 -0.045 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2occc2CN(C)C)C1 958345592 PFZUQSAAUGKPHU-ZIAGYGMSSA-N 305.378 -0.003 30 20 DBED C=CCN1C[C@@H](O)[C@@H](CNC(=O)c2cnn(CCOC)c2)C1 958634270 AGVKOODWIQBYGQ-GXTWGEPZSA-N 308.382 -0.262 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2CN(C(=O)C(N)=O)C[C@H]2C)nc1 959574432 YRNNSZYFHKQEGA-PWSUYJOCSA-N 314.345 -0.628 30 20 DBED Cc1nn(C)cc1C(=O)NC[C@H]1COCCN1C(=O)[C@H](C)C#N 964135534 OPIBDAODFSLURE-PWSUYJOCSA-N 319.365 -0.155 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1COCCN1C(=O)COC 964360876 MKGBWQIIXLXQPJ-XQQFMLRXSA-N 312.366 -0.433 30 20 DBED C=C[C@](C)(CC)C(=O)N1CC2(CN(C(=O)CC(N)=O)CCO2)C1 965331760 DVTRQDHCIUGXJR-OAHLLOKOSA-N 323.393 -0.096 30 20 DBED C[C@H](C#N)C(=O)N1CC2(C[C@H](NC(=O)c3cnnn3C)CO2)C1 965684400 WUQMBHKHBKGQIS-ZJUUUORDSA-N 318.337 -0.926 30 20 DBED C[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1NC(=O)c1nc[nH]n1 966337785 UZYSFSUJQRKKFU-KWQFWETISA-N 313.321 -0.105 30 20 DBED CCN(C(=O)c1c[nH]c(=O)cn1)C1CN(C(=O)[C@H](C)C#N)C1 968284879 QEGGYRFIJGPUCA-SECBINFHSA-N 303.322 -0.398 30 20 DBED O=C(C#CC1CC1)N1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cnnn1 968463084 NWLFCNVEJJYCCY-BETUJISGSA-N 314.349 -0.712 30 20 DBED C[C@@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)c1cnn(C)c1N)C2 969805084 JDBGSTNAPYLHKD-DCAQKATOSA-N 316.365 -0.023 30 20 DBED CC(=O)N1CC(C(=O)N2C[C@@H]3CC[C@H](C2)N3C(=O)[C@H](C)C#N)C1 969806118 QDSYMYYBCSDRQE-HONMWMINSA-N 318.377 -0.174 30 20 DBED C[C@@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)[C@H]1CC(=O)N(C)C1)C2 969811358 KQKRFSFWZJZOBD-CYDGBPFRSA-N 318.377 -0.174 30 20 DBED C[C@H](C(=O)N1CC[C@@]2(CN(CC#N)CCO2)C1)n1cncn1 972349629 ZYZWKRLNKVSRQD-TZMCWYRMSA-N 304.354 -0.334 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)Cn3ccccc3=O)C2)C1 972668829 DLSVQINJGTWOFU-KRWDZBQOSA-N 315.373 -0.215 30 20 DBED CCn1cc(C(=O)N[C@H]2[C@@H]3CN(C(=O)[C@@H](C)C#N)C[C@@H]32)nn1 977099161 XGZSAMORQYCCNR-UXCLJVHYSA-N 302.338 -0.356 30 20 DBED CC#CCN1C[C@H]2C(CNC(=O)c3cc(=O)n(C)cn3)[C@@H]2C1 978296129 YTJCJMOTCKNGFN-STQMWFEESA-N 300.362 -0.289 30 20 DBED C=CCCN1CCCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)CC1 982071512 FSFWECJWRYGRMU-UHFFFAOYSA-N 322.365 -0.483 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](CNC(=O)c2cnnc(O)c2)C1 983212610 QSFKMAKUNYHFNA-UWVGGRQHSA-N 303.322 -0.080 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H](N(C)C(=O)c2c[nH]c(=O)cn2)C1 984597970 OGCGSPZLYJLQKV-QWRGUYRKSA-N 317.349 -0.007 30 20 DBED C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)CN2C(=O)CNC2=O)C1 989766676 SLXMVIRLFNVXLH-UWVGGRQHSA-N 314.773 -0.130 30 20 DBED C=CCn1cc(C(=O)N2CC(NC(=O)c3ccnn3C)C2)nn1 990436770 KGTPRMYVZMNJDH-UHFFFAOYSA-N 315.337 -0.548 30 20 DBED N#CCN[C@H]1CCCN(C(=O)Cn2nc3ccccn3c2=O)C1 999835300 HVHPINHGBIWXHL-LBPRGKRZSA-N 314.349 -0.400 30 20 DBED N#CCN1CC[C@H](n2cc(CNC(=O)[C@H]3CCOC3)nn2)C1 999963457 QKQPFNXBNWEPJG-AAEUAGOBSA-N 304.354 -0.299 30 20 DBED C#Cc1ccc(C(=O)N(C)C[C@H]2CCCN2C(=O)C(N)=O)nc1 1002914880 PZSMBNPZRPSKGP-GFCCVEGCSA-N 314.345 -0.389 30 20 DBED C#CCN1CCC(N(C)C(=O)[C@@H]2CN(C(C)=O)CCO2)CC1 1006361301 MJQFANWAVZTGJE-HNNXBMFYSA-N 307.394 -0.210 30 20 DBED C=CC(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)CC(N)=O)C2)C1 1007626599 HUMLEXOOVWCQHX-MRXNPFEDSA-N 323.393 -0.096 30 20 DBED C=CCn1cc(C(=O)NCC2[C@@H]3CN(C(=O)COC)C[C@@H]23)nn1 1009067574 VRKMUXYYKMSHKU-RYUDHWBXSA-N 319.365 -0.455 30 20 DBED O=C(NC1[C@H]2CN(C(=O)C#CC3CC3)C[C@H]12)c1cncnc1O 1013296322 RKWCYLCWWMWPDV-RYUDHWBXSA-N 312.329 -0.218 30 20 DBED N#Cc1cc(C(=O)N2CC[C@@]3(NC(=O)C(N)=O)CCC[C@@H]23)c[nH]1 1014445365 LYDZSNBGYKQHJJ-ABAIWWIYSA-N 315.333 -0.375 30 20 DBED NC(=O)C(=O)N[C@@H]1CCC[C@H]2CN(C(=O)C#CC3CC3)C[C@H]21 1014579981 FFGFJZOWZYGFON-YNEHKIRRSA-N 303.362 -0.372 30 20 DBED C=CCN1CC[C@H](N2CC[C@@H](NC(=O)Cc3nc[nH]n3)C2)C1=O 1015967624 KPVOOBZDMMGEHW-NEPJUHHUSA-N 318.381 -0.675 30 20 DBED N#CCN1CCC2(CC1)C[C@@H]2NC(=O)[C@H]1CCS(=O)(=O)N1 1016977958 CXHITDADDVCDGT-MNOVXSKESA-N 312.395 -0.828 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2C[C@H](N[C@H]3CCC(=O)NC3=O)C2)[nH]1 1020085104 CQLJHQLSKWZQNZ-NHCYSSNCSA-N 315.333 -0.458 30 20 DBED N#CCN1[C@H]2CC[C@H]1CC(NC(=O)Cn1ccc(O)nc1=O)C2 1021315351 NGKJNNAWVCYDGX-RYUDHWBXSA-N 317.349 -0.416 30 20 DBED C#CCCN1[C@H]2CC[C@H]1CC(NC(=O)Cn1c(O)nnc1O)C2 1021447313 IVPVXVPQGSBUKU-RYUDHWBXSA-N 319.365 -0.176 30 20 DBED C#CCN(C)[C@@H]1CCCN(C(=O)CN2CCC(=O)NC2=O)C1 1027639663 CVWYSGORVBZXRW-GFCCVEGCSA-N 306.366 -0.516 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN([C@@H]2CCC(=O)NC2=O)C1 1030977660 UEVVEPCVVFMHPM-UTUOFQBUSA-N 307.350 -0.817 30 20 DBED C=C(Cl)CN1CC(NC(=O)[C@H]2CCN(C)S2(=O)=O)C1 1031085977 CECTWJOXJGAEQA-SNVBAGLBSA-N 307.803 -0.427 30 20 DBED C=CCN1C[C@@H]2C[C@H]1CN2C(=O)C1CC2(C1)NC(=O)NC2=O 1032678741 BAHLDKGSTIJHCL-SSOKKCIESA-N 304.350 -0.554 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)CN2CCCS2(=O)=O)C1 1033130857 IRDAONKLHMFECW-LBPRGKRZSA-N 301.412 -0.259 30 20 DBED N#CCN1CC[C@@H]1CNC(=O)c1cn(C[C@@H]2CCOC2)nn1 1038870813 XWNOMDAGJVCGKI-NWDGAFQWSA-N 304.354 -0.358 30 20 DBED C=C(C)CCC(=O)NC[C@]1(O)CCN(C(=O)c2ncn(C)n2)C1 1039987852 ZFYHOENNPDABLT-OAHLLOKOSA-N 321.381 -0.135 30 20 DBED C=CCCOCC(=O)N1CC(O)(CNC(=O)[C@H]2CCCO2)C1 1041360212 UYJUXRVRTROMRZ-GFCCVEGCSA-N 312.366 -0.552 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)C[C@H]2CCCO2)C1 1041656186 UBHNDSUVHAKVBW-CYBMUJFWSA-N 324.377 -0.715 30 20 DBED N#Cc1c[nH]c(C(=O)NCC2(O)CN(C(=O)C3CCC3)C2)c1 1042393081 ZQMLRAKNBXWPMY-UHFFFAOYSA-N 302.334 -0.010 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)c2nocc2C)C1 1043041645 JLNPUTXLRIFWSA-LLVKDONJSA-N 321.333 -0.676 30 20 DBED CCOCCOCC(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1043437469 SWNJXPOTIIZTKB-UHFFFAOYSA-N 324.377 -0.858 30 20 DBED C=CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2cccn2C)C1 1043568526 NKYJPYIMRNSALR-LBPRGKRZSA-N 321.377 -0.081 30 20 DBED C=CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)[C@H](CC)OC)C1 1043570366 HHNSVGUNRZKCDP-NEPJUHHUSA-N 314.382 -0.308 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)c2cncnc2O)C1 1043581723 XYXZRIXNKPYAIT-UHFFFAOYSA-N 318.333 -0.711 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)CCCn2ccnc2)C1 1043691549 LNEUAMROKCOHIJ-GFCCVEGCSA-N 319.365 -0.488 30 20 DBED N#Cc1cncc(N2C[C@H](O)[C@H](NC(=O)[C@H]3CCCOC3)C2)n1 1043869914 VKRBYDBQQZBTDA-UHTWSYAYSA-N 317.349 -0.559 30 20 DBED Cc1c(CC(=O)N2CC(O)(CNC(=O)[C@H](C)C#N)C2)cnn1C 1045551092 FHJJKNOWBKRFMW-SNVBAGLBSA-N 319.365 -0.880 30 20 DBED Cc1ncccc1CC(=O)N1CC(O)(CNC(=O)[C@H](C)C#N)C1 1045551779 LSWSUCXTCNBIBV-LLVKDONJSA-N 316.361 -0.218 30 20 DBED C=CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2COCCN2CC)C1 1047433445 BQWXVZIGQCUPCX-KKUMJFAQSA-N 311.426 -0.213 30 20 DBED CC(=O)N1CCC[C@@H](C(=O)N(C)[C@H]2CN(CC#N)C[C@@H]2O)C1 1047450028 NRUZFJKOCPXZRR-RDBSUJKOSA-N 308.382 -0.728 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)N2CCOCC2)C1 1047652873 BWTKCKKMYKFFPB-KKUMJFAQSA-N 309.410 -0.766 30 20 DBED Cc1nnsc1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)C#N)C1 1049387789 ABAPILXYGGEHFD-JEZHCXPESA-N 323.378 -0.350 30 20 DBED CC#CCN1CCN([C@H]2CCN(C(=O)c3cn(C)nn3)C2)CC1 1052025635 ITDRLCMIFGFJRQ-AWEZNQCLSA-N 316.409 -0.330 30 20 DBED C=C(Cl)CN1CCN([C@H]2CCN(C(=O)C(N)=O)C2)CC1 1052073757 NYLJANKUQPECJQ-NSHDSACASA-N 300.790 -0.557 30 20 DBED C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1CCNc1nccnc1C#N 1053500815 UJCODPAQVMOQIL-NXEZZACHSA-N 302.338 -0.270 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)[C@H]3CCC(=O)NC3)CO2)C1 1053855314 KDQXBWSGEJXOIB-QWHCGFSZSA-N 305.378 -0.505 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@](CO)(NC(=O)Cc2cc[nH]n2)C1 1055853536 YXQWPUBVKJPHGL-NHYWBVRUSA-N 319.365 -0.418 30 20 DBED CC(C)C#CC(=O)N[C@]1(CO)CCCN(C(=O)c2nc[nH]n2)C1 1055933236 MEVFXRNDLHBFGS-OAHLLOKOSA-N 319.365 -0.453 30 20 DBED C[C@H](C#N)C(=O)N[C@@]1(CO)CCCN(C(=O)C2=CCOCC2)C1 1056094885 YCFNMTYBAJVDNJ-WBMJQRKESA-N 321.377 -0.038 30 20 DBED Cn1nnc(C(=O)N[C@H]2[C@@H]3CN(c4ncccc4C#N)C[C@@H]32)n1 1056371681 ADDRXHAEOVMVQQ-URLYPYJESA-N 310.321 -0.659 30 20 DBED C#CCOCCC(=O)NCCN(CCO)C(=O)c1ncc[nH]1 1057521873 MRSZIVZVJHOCDW-UHFFFAOYSA-N 308.338 -1.000 30 20 DBED Cc1ncc(C(=O)NCCN(CCO)C(=O)C#CC(C)C)n1C 1057525404 RLGGFUNBAHRKCI-UHFFFAOYSA-N 320.393 -0.061 30 20 DBED COCC1(CC(=O)N(CCO)CCNC(=O)[C@@H](C)C#N)CC1 1057549942 VEQDWKOWBGKHSY-LBPRGKRZSA-N 311.382 -0.100 30 20 DBED C#CCO[C@H](C)C(=O)N(CCO)CCNC(=O)c1ccncn1 1057584523 MZTNEGZPXMAZNE-GFCCVEGCSA-N 320.349 -0.934 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CCN(c3nccn4nnnc34)C2)c1 1058323339 VANCIBSUNDITFB-SNVBAGLBSA-N 323.320 -0.272 30 20 DBED Cc1nonc1CC(=O)NCCN(CCO)C(=O)[C@@H](C)C#N 1058656723 JIZFRBRFXFQBPG-VIFPVBQESA-N 309.326 -0.983 30 20 DBED C=C[C@@](C)(CC)C(=O)N(CCO)CCNC(=O)c1cnn(C)n1 1058728257 NUFYQQYMIWJDMV-HNNXBMFYSA-N 323.397 -0.032 30 20 DBED COCCO[C@@H](C)C(=O)N(CCO)CCNC(=O)[C@H](C)C#N 1058903705 DQGXABPFTGYSMB-NEPJUHHUSA-N 315.370 -0.865 30 20 DBED CN1C[C@H](C(=O)N2CC[C@H](Nc3nccnc3C#N)C2)CC1=O 1059097751 OMVBYYUBOPSDML-MNOVXSKESA-N 314.349 -0.161 30 20 DBED Cn1ncc(C(=O)N2CC[C@@H](CN=c3cc[nH]c(C#N)n3)C2)n1 1060891726 IONHNGQSXPOWTP-JTQLQIEISA-N 312.337 -0.527 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCOC[C@@H]1CNC(=O)COCC 1061244614 BKNAARZPYAFHLM-STQMWFEESA-N 314.382 -0.042 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1COCCN1C(=O)[C@H]1CCN(C)C1 1061568224 DNIKJTJXJBHAMV-LSDHHAIUSA-N 321.421 -0.059 30 20 DBED CC(C)C#CC(=O)N1CCOC[C@@H]1CNC(=O)c1cnn(C)n1 1061706441 KBTIMZYGSAMPAW-LBPRGKRZSA-N 319.365 -0.568 30 20 DBED C#CCNC(=O)CC(=O)NCC1(NC(=O)[C@H](CC)OC)CCC1 1062829582 SPXWVUVQAAJSBT-LBPRGKRZSA-N 323.393 -0.294 30 20 DBED CN(C(=O)c1ncn(C)n1)[C@@H]1CCN(c2ccc(C#N)nn2)C1 1062926431 BLLLSDZYIDNBCF-LLVKDONJSA-N 312.337 -0.172 30 20 DBED C#CCO[C@@H](C)C(=O)NC1(CNC(=O)Cn2nccn2)CCC1 1063179384 VEPTYIGCBHMEAB-LBPRGKRZSA-N 319.365 -0.529 30 20 DBED N#Cc1ccc(N2CC[C@H]3CN(C(=O)C(N)=O)CC[C@@H]32)nn1 1064032849 GYQABBNXQUJCEH-ONGXEEELSA-N 300.322 -0.739 30 20 DBED CC(=O)N(C)CC(=O)N1CCO[C@@H](CNC(=O)C#CC2CC2)C1 1064883686 SLKPHXDYBBHZDM-AWEZNQCLSA-N 321.377 -0.778 30 20 DBED C=CCOCC(=O)N1CCO[C@H](CNC(=O)c2cncnc2)C1 1064970834 RKVBBKMYLYTBKD-CYBMUJFWSA-N 320.349 -0.364 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCO[C@H](CNC(=O)c2cn[nH]c2)C1 1065096289 CBCVWFFTASFRFS-DOMZBBRYSA-N 322.365 -0.306 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCO[C@@H](CNC(=O)c2nc[nH]n2)C1 1065096620 ILSLOGMRZYHVQS-HZMBPMFUSA-N 323.353 -0.911 30 20 DBED C=CCCOCC(=O)N1CCO[C@H](CNC(=O)COC)C1 1065281240 WLQJDMXYCSBONJ-GFCCVEGCSA-N 300.355 -0.431 30 20 DBED C=CCCC(=O)N1CC2(CN(C(=O)Cn3nccn3)CCO2)C1 1068400836 JVCCXVDPXCMVQJ-UHFFFAOYSA-N 319.365 -0.316 30 20 DBED C=C(C)CN1C[C@H](n2ccnn2)[C@H](NC(=O)c2nnn(C)n2)C1 1070000797 OCDFOQVSEXCXLC-MNOVXSKESA-N 317.357 -0.967 30 20 DBED C=C(C)CN[C@@H]1CN(C(=O)[C@H]2CCNC2=O)C[C@@H]1n1ccnn1 1070248789 JFVKSCZSATZPDH-XQQFMLRXSA-N 318.381 -0.668 30 20 DBED C#CCN1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CNC(=O)N2)C1 1070422761 HZIRAISCETXRKD-JQWIXIFHSA-N 316.365 -0.870 30 20 DBED C=C(C)CN1CCNC(=O)CCN(C(=O)[C@@H]2COC(=O)N2)CC1 1070958922 ZWQSOKPBSLSMLA-LBPRGKRZSA-N 324.381 -0.679 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CCCN(C(=O)c2ccc(=O)n(C)n2)C1 1071370155 HSOWDLFEWQYSTN-GHMZBOCLSA-N 317.349 -0.339 30 20 DBED COC(=O)NCC(=O)N1C[C@@H](C)[C@@H](NC(=O)C#CC(C)C)C1 1071715507 YDPFELXEGVOBPQ-NEPJUHHUSA-N 309.366 -0.035 30 20 DBED CN(C)[C@@H](Cn1cccn1)C(=O)N1CC2(CCN(CC#N)C2)C1 1072813143 GGNMANGVUXFFJN-AWEZNQCLSA-N 316.409 -0.129 30 20 DBED CNC(=O)NCC(=O)N[C@@H]1CCN(C(=O)[C@H](C)C#N)CC1(C)C 1073411031 BDPPBBMDAXZFDI-GHMZBOCLSA-N 323.397 -0.182 30 20 DBED N#CCN1CCCO[C@H](CNC(=O)c2ccc3nnnn3c2)C1 1073696810 PHNVLZMVJXNUHO-GFCCVEGCSA-N 315.337 -0.531 30 20 DBED CCC(=O)N1CC[C@@H](C(=O)NC[C@@H]2CN(CC#N)CCCO2)C1 1073848558 WJZDTNKPACYDNU-ZIAGYGMSSA-N 322.409 -0.024 30 20 DBED CC#CCN1CCO[C@@H]2CCN(C(=O)c3cnn(C)c3N)C[C@@H]21 1074223345 XNQRAIZGCMTWFF-UONOGXRCSA-N 317.393 -0.059 30 20 DBED C=CCOCC(=O)NCC[C@H](C)NC(=O)CNC(=O)OC 1075917037 ZIHZXTJKQFSLJF-JTQLQIEISA-N 301.343 -0.444 30 20 DBED N#CCN1C[C@@H]2CCN(C(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)[C@@H]2C1 1076059632 KKOYIPSUSAZQCS-DGAVXFQQSA-N 320.393 -0.144 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H](C)CCNC(=O)CCNC(N)=O 1076452372 OMVIJLPADXVYJO-WDEREUQCSA-N 314.386 -0.353 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CN(Cc3nncs3)C[C@H]2O)c1 1076856015 XAMFEMSBLXTFRP-GHMZBOCLSA-N 318.362 -0.287 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)c2cnn(CCOC)c2C)C1 1076992330 PDXZRBGLKLFMMB-ZIAGYGMSSA-N 308.382 -0.201 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2cccc3c2OCCO3)C1 1077090018 PRBGPICDBSEXSA-VXGBXAGGSA-N 303.318 -0.244 30 20 DBED C[C@@H](CCNC(=O)[C@@H]1CCC(=O)N1)NC(=O)c1c[nH]c(C#N)c1 1077637860 UICGWOXXZIVVPL-CABZTGNLSA-N 317.349 -0.210 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)c2cn(CCC=C)nn2)C1 1077813027 XOMNVGUPIKVDHF-TZMCWYRMSA-N 303.366 -0.348 30 20 DBED C[C@@H](CCNC(=O)[C@H](C)C#N)NC(=O)c1cc(C(N)=O)ccn1 1078136128 FKUNZXWLHHUDDY-ZJUUUORDSA-N 317.349 -0.035 30 20 DBED C#CCCCC(=O)N1CC(N(CC)C(=O)[C@@H]2CCNC2=O)C1 1080217616 IYKHJXLZSMXUQZ-CYBMUJFWSA-N 305.378 -0.015 30 20 DBED Cn1cccc1C(=O)N1C[C@H](CNC(=O)C#CC2CC2)[C@@H](O)C1 1081468816 OSJRDWYWSIIBPI-ZFWWWQNUSA-N 315.373 -0.012 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1nc2ncccn2n1 1082255402 KLCHBWOJMOLGNZ-NXEZZACHSA-N 301.310 -0.923 30 20 DBED Cc1noc(CCC(=O)N2CCO[C@@H]3CN(CC#N)C[C@@H]32)n1 1083158191 MLROYWRRVVEABS-NWDGAFQWSA-N 305.338 -0.254 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CCN(C(=O)CC)C1 1083242528 MBPPALJWRXDAQN-QLFBSQMISA-N 319.405 -0.210 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)c2cc(OC)n(C)n2)C1 1083628408 UJSQUYCARVDBGB-MNOVXSKESA-N 314.773 -0.044 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2cnc(O)n(C)c2=O)[C@H]1C 1088789693 BXIWSNRWYPCUHW-PWSUYJOCSA-N 304.350 -0.298 30 20 DBED COc1ccncc1CC(=O)N[C@H]1CCN(CC#N)C[C@H]1O 1090357054 AYPFFDMMMGFXSQ-QWHCGFSZSA-N 304.350 -0.292 30 20 DBED COC[C@H](C)C(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1O 1090386820 AVPGZTKMFVVUMB-CYZMBNFOSA-N 304.350 -0.099 30 20 DBED C=CCCN1CC[C@@H](NC(=O)c2cc(C(N)=O)cn2C)[C@@H](O)C1 1090398935 JWFJLIHBAIUNGU-OCCSQVGLSA-N 320.393 -0.135 30 20 DBED C=C(C)CCN1CC[C@H](NC(=O)c2cn(C)c(=O)cn2)[C@@H](O)C1 1090443784 ZRBXTPVJHKLAMZ-JSGCOSHPSA-N 320.393 -0.089 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2ccc3nncn3c2)[C@H](O)C1 1090646969 MUONCHQQSRHHJA-ZIAGYGMSSA-N 313.361 -0.082 30 20 DBED C#CCOc1ncccc1C(=O)N[C@H]1CCN(CCO)C[C@@H]1O 1090738223 XBJLTCNAMGZFNY-KBPBESRZSA-N 319.361 -0.749 30 20 DBED C#CCN1CC[C@@H](NC(=O)Cc2ccc(C(N)=O)cc2)[C@H](O)C1 1090840861 GVERUGWQPDRPSZ-HUUCEWRRSA-N 315.373 -0.487 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CN(CCN3CCNC3=O)C[C@@]2(C)C1 1091543219 FYQLDRAPUZZHOW-IOASZLSFSA-N 319.409 -0.048 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(c2nccc(OC)n2)C[C@@H]1O 1092153440 IAEPPCPLNMUQQI-NEPJUHHUSA-N 322.365 -0.256 30 20 DBED N#Cc1ccc(N2C[C@@H]3C(NC(=O)CCc4cnn[nH]4)[C@H]3C2)nn1 1093360183 DQGOSNUUOFCZSF-RYUDHWBXSA-N 324.348 -0.350 30 20 DBED CC(C)[C@H]1N(C(=O)CC(N)=O)C[C@@]12C[C@@H](O)[C@H](NCC#N)C2 1093437425 RHGCUPLJILTLBN-YIKOMLBNSA-N 308.382 -0.649 30 20 DBED C=CCO[C@H](C)C(=O)NCCNc1ncnc2c1nnn2C 1093693155 KQPQUPXAKJQMCC-SECBINFHSA-N 305.342 -0.123 30 20 DBED C#CCCN1CC(N2C[C@@H](NC(=O)c3cn(C)cn3)CC2=O)C1 1094722974 ZOIUJLIFDDNDIL-LBPRGKRZSA-N 315.377 -0.542 30 20 DBED C#CCN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCn1ncn(C)c1=O)C2 1094968299 UWJZJRRRDFFGSO-IHRRRGAJSA-N 317.393 -0.426 30 20 DBED N#CCN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN1C(=O)CNC1=O)C2 1095052616 VMVFEMKBGOYSDD-AXFHLTTASA-N 305.338 -0.969 30 20 DBED CCN(CCCNC(=O)[C@H]1CNC(=O)N1)c1cncc(C#N)n1 1095960224 XVVXPRVLUSSANZ-LLVKDONJSA-N 317.353 -0.638 30 20 DBED CC(=O)N[C@@H](C)C(=O)N[C@H]1CCN(c2ccnc(C#N)n2)C1 1096317260 OVEYNAAVSVTFBI-ONGXEEELSA-N 302.338 -0.432 30 20 DBED C[C@H](CNC(=O)c1cc(=O)n(C)o1)Nc1nccnc1C#N 1097782460 KWVDFMMGFIIIIJ-MRVPVSSYSA-N 302.294 -0.130 30 20 DBED C[C@@H](C(=O)NC[C@@H](C)Nc1ccc(C#N)nn1)N1CCOCC1 1097925298 LKPLJBIHWYCGJW-NEPJUHHUSA-N 318.381 -0.014 30 20 DBED CN1CCC[C@H]1C(=O)N1CC[C@H](n2cc(CNCC#N)nn2)C1 1098644500 BYJVGNYZRGLUIL-KBPBESRZSA-N 317.397 -0.241 30 20 DBED CC(C)C#CC(=O)N1CC[C@H](n2cc(CNCCO)nn2)C1 1098669046 FWIVPTGTUAANDP-AWEZNQCLSA-N 305.382 -0.207 30 20 DBED C[C@@H](CCNC(=O)[C@H]1COC(=O)N1)Nc1nccnc1C#N 1099076626 DGEUHXIFAWEVJC-WCBMZHEXSA-N 304.310 -0.237 30 20 DBED C=CCOCCN1C[C@@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C(N)=O)C1 1099518599 BHWACRGRSCLSSU-FQUUOJAGSA-N 307.394 -0.157 30 20 DBED C#CCO[C@@H](C)C(=O)NCC[C@H](C)Nc1nccn2nnnc12 1099521139 LFOJTUSQYIRCKD-QWRGUYRKSA-N 317.353 -0.136 30 20 DBED N#CCN1CC[C@H](NC(=O)COCc2ccnc(O)c2)[C@H](O)C1 1099892020 GUSQUFZALKTQSW-QWHCGFSZSA-N 320.349 -0.621 30 20 DBED COCC#CCN1CC[C@H](NC(=O)C2CCN(C)CC2)[C@@H](O)C1 1099979667 YZBHYHDYMWSEIO-HOTGVXAUSA-N 323.437 -0.471 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)CCCS(N)(=O)=O)[C@H](O)C1 1099982133 YJTWHVREHHRNFM-NWDGAFQWSA-N 319.427 -0.817 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)CCn2cnccc2=O)[C@H](O)C1 1100050473 ITBFEGJCESOCHJ-ZIAGYGMSSA-N 320.393 -0.239 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CCCC(=O)NCC)[C@@H](O)C1 1100078641 MGVAORGKJBYTEG-KGLIPLIRSA-N 309.410 -0.133 30 20 DBED CN(CCNC(=O)[C@H]1CCC(=O)N1C)c1nccnc1C#N 1100279878 IAFLHFPOHVSIGD-LLVKDONJSA-N 302.338 -0.479 30 20 DBED CC[C@@H]1OCC[C@H]1C(=O)NCC1CC(NCC(=O)NCC#N)C1 1100525723 BZLHRQMPQBMIMB-PQAZSJQKSA-N 322.409 -0.074 30 20 DBED CCN(CCNC(=O)CCNC(N)=O)c1cnc(C#N)cn1 1100529271 RTHFYVIQHHLNRF-UHFFFAOYSA-N 305.342 -0.651 30 20 DBED CCN(CCNC(=O)[C@@H]1CC(=O)N(C)C1)c1nccnc1C#N 1100749290 SGKGBHRDFIWXKC-LLVKDONJSA-N 316.365 -0.231 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CN(C(=O)[C@@H](C)OCC)C[C@]2(C)C1 1101139100 RPEZEGUZISOFMK-CPUCHLNUSA-N 321.421 -0.059 30 20 DBED CC(=O)N(C)CC(=O)NCCN(c1ccnc(C#N)n1)C1CC1 1101299706 NEKBSNDQPSKLHV-UHFFFAOYSA-N 316.365 -0.088 30 20 DBED CN(CCNc1ccc(C#N)nn1)C(=O)c1cn(C)c(=O)n1C 1101654516 JQWLAPSFXOZTHJ-UHFFFAOYSA-N 315.337 -0.430 30 20 DBED CNC(=O)CCCCC(=O)N(C)CCN=c1cc[nH]c(C#N)n1 1101668207 KOKTYXRBRDNRPE-UHFFFAOYSA-N 318.381 -0.053 30 20 DBED C=C(C)CN1C[C@@H](C)[C@H](CNC(=O)Cn2ncn(C)c2=O)C1 1102107524 RXDVGQQAAVLKMG-CHWSQXEVSA-N 307.398 -0.158 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1CNC(=O)CN1CC(=O)N(C)C1=O 1102510243 SIMKKTHKGMTJJY-GHMZBOCLSA-N 307.354 -0.912 30 20 DBED CNC(=O)CC(=O)N(C)[C@H]1CCN(c2cncc(C#N)n2)C1 1102697713 MKAWWHQUUBCENW-NSHDSACASA-N 302.338 -0.479 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)CC(=O)N(C)C 1104229290 HTJKZPYFWNPIGZ-SNVBAGLBSA-N 304.354 -0.587 30 20 DBED C=CCOCC(=O)N1CC(n2cc(CNC[C@@H](C)O)nn2)C1 1105191760 DLZRBRVXPKLTMV-LLVKDONJSA-N 309.370 -0.666 30 20 DBED CC(=O)NC(C)(C)C(=O)NC[C@H](O)CNc1ccc(C#N)nc1 1105897322 CGIRGCPQKLEOJA-CYBMUJFWSA-N 319.365 -0.243 30 20 DBED CCn1cc(C(=O)NC[C@@H](O)CNc2cnc(C#N)cn2)nn1 1105954270 SBAARLCHQHOKOF-JTQLQIEISA-N 316.325 -0.838 30 20 DBED CNC(=O)NCCC(=O)N[C@H](C)CCNc1cncc(C#N)n1 1106317240 VLGCIDFMNCTDIA-SNVBAGLBSA-N 319.369 -0.026 30 20 DBED C=CCNC(=O)CNC[C@@H]1CN(C(=O)CCCC(N)=O)C[C@H]1C 1107080769 DZPZPIXYCTYHTO-CHWSQXEVSA-N 324.425 -0.372 30 20 DBED C=C(C)CN1CC(n2cc(CNC(=O)CNC(=O)CC)nn2)C1 1107146199 ZZOXDKHXXQIEDQ-UHFFFAOYSA-N 320.397 -0.147 30 20 DBED C#CCO[C@@H](C)C(=O)NCc1cn(C2CN(CCOC)C2)nn1 1107169436 HVIYICAZEGNXGP-LBPRGKRZSA-N 321.381 -0.564 30 20 DBED C=C[C@@H](C)[C@H](C)C(=O)NCc1cn(C2CN(CC(N)=O)C2)nn1 1107198230 YBQCJEWLIANLNW-MNOVXSKESA-N 320.397 -0.306 30 20 DBED C[C@@]1(CNC(=O)c2cocn2)CN(CC(=O)NCC#N)CCO1 1107813791 WEPUPTCPXFDZNR-CQSZACIVSA-N 321.337 -0.865 30 20 DBED CC(C)C#CC(=O)NC[C@]1(C)CN(CC(=O)N(C)C)CCO1 1107926502 IVPWNYHXELRLET-MRXNPFEDSA-N 309.410 -0.059 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CS(C)(=O)=O 1109018413 TXRBXSMILUAARJ-AGIUHOORSA-N 314.407 -0.598 30 20 DBED C[C@@H](CN(C)c1ccc(C#N)nn1)NC(=O)Cc1nc[nH]n1 1109081502 VOOBFWMCRUOWPJ-VIFPVBQESA-N 300.326 -0.350 30 20 DBED Cc1nc(N(C)C[C@@H](C)NC(=O)Cn2ncnn2)ccc1C#N 1109119621 ZJCGAVMQPCSRJA-SNVBAGLBSA-N 314.353 -0.111 30 20 DBED N#CCSCC(=O)NCC1(Nc2ccc3nnnn3n2)CC1 1110076882 VATGBFJCFCZLIO-UHFFFAOYSA-N 318.366 -0.163 30 20 DBED C=CCOCC(=O)N[C@@]1(C)CCN(c2nccn3nnnc23)C1 1110728153 IUKCNOUGBPXSOM-AWEZNQCLSA-N 317.353 -0.193 30 20 DBED C#CCNC(=O)CC(=O)N[C@]1(C)CCN(c2ncc(F)cn2)C1 1110741788 NMOFOWQJTXEPCR-OAHLLOKOSA-N 319.340 -0.160 30 20 DBED COCC(=O)NCCN1CCC(Nc2cnc(C#N)cn2)CC1 1111312253 XDXRJGMEFWUHIY-UHFFFAOYSA-N 318.381 -0.013 30 20 DBED COCCC(=O)NC[C@H]1COCCN1c1cnc(C#N)cn1 1111649065 ATLUMAUIHMWVFT-LBPRGKRZSA-N 305.338 -0.294 30 20 DBED C[C@H]1C[C@H](NC(=O)CNC(N)=O)CCN1c1ccnc(C#N)n1 1112458054 WBAOHPGPCMMISO-VHSXEESVSA-N 317.353 -0.510 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)[C@H]2CCCOC2)CC1 1112680995 GXOFZRHNNVGJGO-KGLIPLIRSA-N 307.394 -0.305 30 20 DBED C[C@H](CNC(=O)[C@H]1COCCO1)N(C)c1ccc(C#N)nn1 1113501883 PTNPJTALSIRJDC-ZYHUDNBSSA-N 305.338 -0.295 30 20 DBED CCn1cc(CC(=O)N2CCN(CC(=O)NCC#N)CC2)cn1 1113521717 BXVGGKANXOFSPC-UHFFFAOYSA-N 318.381 -0.771 30 20 DBED C[C@@H](CNC(=O)CCNC(N)=O)N(C)c1ccnc(C#N)n1 1113609437 KTVMJASQDJQUGX-VIFPVBQESA-N 305.342 -0.652 30 20 DBED C=CCOCC(=O)NC1[C@H]2CN(CCNC(=O)C3CC3)C[C@H]12 1114047491 GTKOLIADCAXTQF-STQMWFEESA-N 307.394 -0.238 30 20 DBED C#CCOCCC(=O)NC1[C@H]2CN(CC(=O)N3CCC3)C[C@H]12 1114266843 XVNJCHUJPLDIQF-STQMWFEESA-N 305.378 -0.695 30 20 DBED CC#CCN1C[C@H]2[C@H](NC(=O)CCCn3c(O)nnc3O)[C@H]2C1 1114494154 UDHVKDHAUSBISW-PJXYFTJBSA-N 319.365 -0.461 30 20 DBED CC(C)(C(N)=O)C(=O)N[C@H]1C[C@H](CN=c2cc[nH]c(C#N)n2)C1 1114798150 UEXUZFKXSKUGHP-MGCOHNPYSA-N 316.365 -0.412 30 20 DBED C=CCCN1C[C@@H]2C(NC(=O)CNC(=O)Cn3cncn3)[C@H]2C1 1115287822 FUCBCTYISFSLPK-RYUDHWBXSA-N 318.381 -0.983 30 20 DBED CN(CC(=O)N1CCOCC1)C(=O)C(=O)N[C@@H]1CC[C@H](C#N)C1 1118179873 HFLJGXFTLBVZJS-NWDGAFQWSA-N 322.365 -0.888 30 20 DBED Cc1nn(C)cc1C(=O)NC[C@H](CO)Nc1cncc(C#N)n1 1121212148 BQZFVBKUKJYJNI-LLVKDONJSA-N 315.337 -0.407 30 20 DBED Cc1ncoc1C(=O)NC[C@@H](CO)N=c1cc[nH]cc1C#N 1121432825 QEZQCSYQROHPIP-NSHDSACASA-N 301.306 -0.126 30 20 DBED COCC1(CC(=O)NC[C@H](CO)N=c2cc[nH]c(C#N)n2)CC1 1121479672 CTNZARJFYQOPIK-LLVKDONJSA-N 319.365 -0.524 30 20 DBED N#Cc1cnc(N[C@@H](CO)CNC(=O)CC2(O)CCC2)cn1 1121529036 SLCQIFOCJXQIGO-LLVKDONJSA-N 305.338 -0.458 30 20 DBED COC[C@H](C)CC(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1 1121984976 NNSVMDLCHRHPTG-GHMZBOCLSA-N 307.354 -0.668 30 20 DBED C[C@@H]1CCO[C@@H]1C(=O)NC[C@H](CO)Nc1cnc(C#N)cn1 1122584211 FWIOZUBBJASHGT-XWIASGKRSA-N 305.338 -0.338 30 20 DBED CC[C@H](NC(C)=O)C(=O)NC[C@@H](CO)Nc1ncccc1C#N 1122644940 QXYCZFIYPQSVKK-STQMWFEESA-N 319.365 -0.243 30 20 DBED N#Cc1c[nH]ccc1=N[C@H](CO)CNC(=O)[C@@]12COC[C@@H]1C2 1122760506 JJPZUUDLWQBUFW-HUBLWGQQSA-N 302.334 -0.699 30 20 DBED Cc1cc(NC(=O)CNCCNC(=O)CSCC#N)n(C)n1 1123799517 VMKUCPCFPUSEPS-UHFFFAOYSA-N 324.410 -0.370 30 20 DBED COC(=O)c1cnc(NC[C@H](O)CN(C)C(=O)[C@@H](C)C#N)nc1 1124190171 DQQDJUOASRBQDN-ONGXEEELSA-N 321.337 -0.346 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]cc1C#N)C(=O)c1cnn(C)n1 1124415093 QYUTZOUCYIYIKF-LLVKDONJSA-N 315.337 -0.951 30 20 DBED C=C(C)CN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H](COC)OC)C1 1129242902 BDAVWIXYVJFSAN-HZSPNIEDSA-N 323.397 -0.143 30 20 DBED C=CCOCCNCCNC(=O)CCc1nnc(O)nc1O 1130757131 RUOKCCICONZSKP-UHFFFAOYSA-N 311.342 -0.876 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@@H](C)CC(N)=O)C[C@H]1c1cncn1C 1131044168 QYVPIBFHYYXBCN-YNEHKIRRSA-N 317.393 -0.551 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)CN(C)C(C)=O)C[C@@]3(C1)O2 1131194195 OBJZKFCKKDCPMT-SQWLQELKSA-N 305.378 -0.600 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)[C@H](C)NC(=O)CC)C[C@@]3(C1)O2 1131229862 BBKPTMQNDMSYME-SZOQZIPDSA-N 319.405 -0.164 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)C(=O)NCC4CC4)C[C@@]3(C1)O2 1131279701 LQCSFECIFJCSQW-CKEIUWERSA-N 317.389 -0.553 30 20 DBED C=CCO[C@H](C)C(=O)N1C[C@@H]2C[C@@H]3CN(CCO)C[C@]2(C1)O3 1131297492 DUFFJEBMGLLHKF-HLPPOEQASA-N 310.394 -0.129 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)Cc1cn(CC)nn1 1131630868 VAORQTDKYLTYKV-LLVKDONJSA-N 308.386 -0.763 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)CCCCc1cnn[nH]1 1131780817 XEXJSHHFAYISEU-LBPRGKRZSA-N 322.413 -0.086 30 20 DBED N#CCNC(=O)CNCCNC(=O)C1(C2CC2)CCOCC1 1131812844 PNGCFDMONHCVPV-UHFFFAOYSA-N 308.382 -0.461 30 20 DBED CCNC(=O)CC(=O)N[C@H]1CC[C@H](C)N(CC(=O)NCC#N)C1 1131980576 PDJOEMCYLVJEKC-RYUDHWBXSA-N 323.397 -0.879 30 20 DBED C#CCCN1C[C@@H](NC(=O)CCS(=O)(=O)NC)CC[C@H]1C 1132039581 ZOXJFCRXMYAPKO-OLZOCXBDSA-N 315.439 -0.082 30 20 DBED C=CCNC(=O)CN1C[C@H](NC(=O)C(C)(C)C(N)=O)CC[C@H]1C 1132120134 MSQIRIUAFKREBI-VXGBXAGGSA-N 324.425 -0.231 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)c1c(C)ncnc1O 1132715469 QGBNGVWCWQVZED-JTQLQIEISA-N 307.354 -0.499 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)C1(CN(C)C)CC1 1132993079 MSBJOGAEUIYFIT-UHFFFAOYSA-N 323.441 -0.204 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)CC[C@@H]1C 1133173913 IQQPROSRRZNLPS-QWHCGFSZSA-N 320.393 -0.364 30 20 DBED C[C@@H]1CCN(C(=O)CN2C(=O)CN(C)C2=O)C[C@@H]1CNCC#N 1133306891 RMCCWHZLZRYDJM-NEPJUHHUSA-N 321.381 -0.522 30 20 DBED C[C@@H](C[C@@H](C)NCC(=O)NCC#N)NC(=O)CN1CCCC1=O 1133633093 NKFIIQIFQBCFNM-NEPJUHHUSA-N 323.397 -0.879 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1cnc2cccnn12 1134944708 ADOKKMAFGVKLLP-UHFFFAOYSA-N 302.338 -0.649 30 20 DBED CC(C)Oc1cccc(C(=O)NCCNCC(=O)NCC#N)n1 1136024124 BYAVGUSBRXUGEN-UHFFFAOYSA-N 319.365 -0.172 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)C1CCN(C(C)C)CC1 1146391793 KBDVOISOJCCHJN-CQSZACIVSA-N 322.453 -0.050 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CCc2n[nH]cc2C1 1147680400 XBDUDYZTQPVTMN-VXGBXAGGSA-N 317.393 -0.642 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CN(CC(=O)N2CCC2)CCCO1 1149398168 JAWDZSRANBDYIG-QWHCGFSZSA-N 308.382 -0.415 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H]1CN(CC2CC2)CCCO1 1149587279 FOOWPSCJQAMNAW-AWEZNQCLSA-N 307.394 -0.257 30 20 DBED C=CCN1CCCO[C@@H](CNC(=O)[C@@H](C)N2C(=O)CCC2=O)C1 1149818847 VWSBTCFBLLMNGV-OLZOCXBDSA-N 323.393 -0.083 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)C1CCN(C(C)=O)CC1 1150532834 IQDMOWGVFXGQMT-GFCCVEGCSA-N 322.409 -0.911 30 20 DBED C=C(C)C[C@H](C)C(=O)NCCCNCC(=O)N1CCNC(=O)C1 1164345559 BCJBPLYXXBBENR-ZDUSSCGKSA-N 324.425 -0.357 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCCCN[C@@H]1CCC(=O)NC1=O 1166983018 UQZGHHLKLVOXPN-UTUOFQBUSA-N 309.366 -0.521 30 20 DBED C=CCNC(=O)[C@H](C)NCCCC[C@H](C)NC(=O)CC(N)=O 1169901221 QHWURCPIJZDVLE-RYUDHWBXSA-N 312.414 -0.183 30 20 DBED N#CCNC(=O)CNCCCNC(=O)c1c[nH]c2cccnc12 1171265267 RWFAPZMATUARRZ-UHFFFAOYSA-N 314.349 -0.088 30 20 DBED COc1cccc(CC(=O)NCCCNCC(=O)NCC#N)c1 1175174370 HCKGAWJBZWLUQF-UHFFFAOYSA-N 318.377 -0.027 30 20 DBED CC#CCNCCCC[C@@H](C)NC(=O)[C@@H]1CCS(=O)(=O)N1 1176639396 UWFNWRJETJAOBE-OLZOCXBDSA-N 315.439 -0.034 30 20 DBED C=CCCOCC(=O)N1CC[C@@H]2OCCN(CC(N)=O)[C@H]2C1 1177161543 DEAFBEHBMQYCDS-STQMWFEESA-N 311.382 -0.634 30 20 DBED C=CCO[C@@H](C)C(=O)NCCCNCC(=O)N1CCOCC1 1177269109 DYLREFAQWCVXMK-ZDUSSCGKSA-N 313.398 -0.468 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)Cn2cccn2)[C@H]1C 1178111650 WIZHWMMOBFLLRW-STQMWFEESA-N 303.366 -0.789 30 20 DBED Cc1nccc(C(=O)N2CC[C@H](NCC(=O)NCC#N)[C@@H]2C)n1 1180144306 YYUMYRBMSXOUAB-JQWIXIFHSA-N 316.365 -0.383 30 20 DBED C[C@H]1CN(C(=O)CCN(C)C)CC[C@@H]1CNCC(=O)NCC#N 1185071785 BQBSVHOFZYKNGI-UONOGXRCSA-N 323.441 -0.348 30 20 DBED C#CCNC[C@@H]1CCN(C(=O)CS(=O)(=O)NC)C[C@H]1C 1185709978 PFUBCKZEJWXLSL-NEPJUHHUSA-N 301.412 -0.757 30 20 DBED CCNC(=O)NC(C)(C)C(=O)N1CC[C@@H](NCC#CCOC)C1 1186075514 WKRUMNDTCHATAC-CYBMUJFWSA-N 324.425 -0.076 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(Cc2cnn(C)c2)C[C@H]1O 1192524163 DPTVAPNHPCKWOM-NFAWXSAZSA-N 308.382 -0.592 30 20 DBED C=CCN1CC[C@@H](N2C[C@@H](O)[C@H](NC(=O)C#CC3CC3)C2)C1=O 1192821727 OZVLRUAUKLCJDF-RBSFLKMASA-N 317.389 -0.652 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(CCOCC(F)F)C[C@H]1O 1192885692 DFVYOQTWUFFNQE-VXGBXAGGSA-N 320.336 -0.531 30 20 DBED C[C@@H](NC(=O)CC(F)(F)F)C(=O)N[C@@H]1CN(CC#N)C[C@H]1O 1193173645 BCGVBPTUJHWZJM-IWSPIJDZSA-N 322.287 -0.872 30 20 DBED C#CCCN(C)[C@@H]1CCN(C(=O)CN2CC(=O)N(C)C2=O)C1 1193442394 NXVWZOCJSHOULQ-GFCCVEGCSA-N 306.366 -0.564 30 20 DBED COCC#CCN(C)[C@@H]1CCN(C(=O)c2ccc(=O)n(C)n2)C1 1193863607 BOBNJMVUVFIHFE-CYBMUJFWSA-N 318.377 -0.424 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)C2(COC)CCC2)C1 1194778761 VPJZJEFMDJDSCR-ZIAGYGMSSA-N 310.394 -0.386 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCCN(C(=O)CN(C)C(C)=O)CC1 1194904777 JGOCHFOEFAPUDP-CYBMUJFWSA-N 324.425 -0.310 30 20 DBED COCCOC[C@H](O)CN1CCCN(C(=O)C#CC2CC2)CC1 1195754532 PQIJPDCZKMSYIP-MRXNPFEDSA-N 324.421 -0.042 30 20 DBED C=CCOCCN1CCCN(C(=O)CN2CC(=O)NC2=O)CC1 1197461731 ZHVWIIGBNPOHDF-UHFFFAOYSA-N 324.381 -0.725 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)c2cc(Cl)no2)C1 1198012244 WLXNZKBRWBEVSL-NXEZZACHSA-N 313.741 -0.247 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)c2nccn2CC)CC1 1200284485 SUQYKCJPKAYWAQ-UHFFFAOYSA-N 317.393 -0.153 30 20 DBED C#CCCNC1CCN(C(=O)CN2CCCS2(=O)=O)CC1 1200894953 ZQISRVGGZVSVRJ-UHFFFAOYSA-N 313.423 -0.374 30 20 DBED C#CCCNC1CCN(C(=O)CN2CC(=O)N(C)C2=O)CC1 1203318856 PWBYMSXNWLBLBG-UHFFFAOYSA-N 306.366 -0.516 30 20 DBED C=CCOCCN[C@H]1CCCN(C(=O)CS(C)(=O)=O)C1 1207552767 OZAAISJJQAIAMG-LBPRGKRZSA-N 304.412 -0.186 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCN(C(=O)Cc2cncnc2)C1 1207920493 KTHAQXDLJVOQLF-CYBMUJFWSA-N 316.365 -0.761 30 20 DBED COc1cc(COCC(=O)N[C@@H]2CN(CC#N)C[C@@H]2O)ccn1 1219872080 PXSUXUGWHUFTCG-OLZOCXBDSA-N 320.349 -0.708 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)CCC(F)F)C1 1220023210 ZQQSXTZDTLSXAD-MXWKQRLJSA-N 319.352 -0.116 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)Cn2ccccc2=O)C1 1220942250 ILIXBPKCJXDVBG-KGLIPLIRSA-N 321.377 -0.788 30 20 DBED C=CCNC(=O)CN1CC[C@@H]2CN(C(=O)CNC(=O)CC)[C@@H]2C1 1221444743 LUIKWIIFVZLKIP-CHWSQXEVSA-N 322.409 -0.653 30 20 DBED C=CCOCC(=O)NC1CCN(CCNS(C)(=O)=O)CC1 1226570877 KSVKKNRWOARQPY-UHFFFAOYSA-N 319.427 -0.681 30 20 DBED COCC#CCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CC(=O)N(C)C1 1234643083 MAPNWNUOFGAVOQ-ZIAGYGMSSA-N 307.394 -0.353 30 20 DBED C#C[C@@H](NC(=O)C(=O)NCCCc1nc(C)no1)[C@H]1CCCO1 1261150395 YLCVARLHNLHSOW-VXGBXAGGSA-N 320.349 -0.276 30 20 DBED N#Cc1cccc(NC(=O)C(=O)NCC(=O)NCC(F)F)n1 1261460947 TUUADVNINWROJK-UHFFFAOYSA-N 311.248 -0.611 30 20 DBED CN(C)CC#CCNC(=O)C1(S(C)(=O)=O)CCOCC1 1262185523 RLNMYCJDYAWXHO-UHFFFAOYSA-N 302.396 -0.739 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)[C@@H]2CC(=O)N(CC)C2)C1 1316978730 CRYKYPDOIBVRDW-OLZOCXBDSA-N 322.409 -0.653 30 20 DBED CS(=O)(=O)N1CCC(NS(=O)(=O)CCCC#N)CC1 1318888098 RGEGJLWSELYFBB-UHFFFAOYSA-N 309.413 -0.366 30 20 DBED C#CCNC(=O)CN(C)C[C@@H](C)NC(=O)[C@H](C(C)C)N(C)C 1322182012 CXHKGTINBJLZPO-HIFRSBDPSA-N 310.442 -0.242 30 20 DBED C=CCS(=O)(=O)CCNC(=S)NCCS(C)(=O)=O 1323680092 JECPFOFCPIBPHW-UHFFFAOYSA-N 314.454 -0.904 30 20 DBED CO[C@@H](C)c1noc(CN(CC#N)S(=O)(=O)N(C)C)n1 1324147457 MOTZLBBYWIWTAY-QMMMGPOBSA-N 303.344 -0.091 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1C[C@@H]2C[C@@]2(CO)C1 1324180682 JGZFZGFQSPSHDC-DVZHBHJUSA-N 308.378 -0.075 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1C[C@H]2C[C@]2(CO)C1 1324180872 JGZFZGFQSPSHDC-NFFDBFGFSA-N 308.378 -0.075 30 20 DBED C=CCn1cc(CNC(=O)CCC(=O)NCCNC(C)=O)nn1 1326169323 CBSNGJXJQJDCIR-UHFFFAOYSA-N 322.369 -0.887 30 20 DBED C=CCN(C(=O)C(=O)N1CCN(CCOC)C(=O)C1)C1CC1 1327214604 FIXOCLZWLCLFOB-UHFFFAOYSA-N 309.366 -0.519 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)Nc1ccnc(OCCO)c1 1330298636 FVXDUMSGQXQSTI-JTQLQIEISA-N 309.322 -0.292 30 20 DBED CC#CC[C@@H](CO)NC(=O)C(=O)Nc1cc(C)c(=O)n(C)c1 1332179223 JDQBOVRGWIKIHG-NSHDSACASA-N 305.334 -0.477 30 20 DBED C#CCCCn1nnnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1337175004 POWXJAUVCXTPLH-NSHDSACASA-N 312.399 -0.443 30 20 DBED N#CCCN1CCN(C(=O)C(=O)N2CCC[C@@H](C#N)C2)CC1 1356344172 IVFPKHHRKYOVLX-ZDUSSCGKSA-N 303.366 -0.194 30 20 DBED CCN1CCCC[C@H]1CNC(=O)Cn1cc(C#N)c(O)nc1=O 1362082786 MRTBXLAXRMHYOP-LBPRGKRZSA-N 319.365 -0.189 30 20 DBED N#Cc1ncn(CC(=O)N[C@H]([C@@H]2CCCO2)C2(CO)CCC2)n1 1362848370 REFISYPXDBLVAN-SMDDNHRTSA-N 319.365 -0.024 30 20 DBED N#Cc1cn(CC(=O)NC[C@@H]2CCCC[C@H]2O)c(=O)nc1O 1362859650 REYNICJHPDFGFX-GXSJLCMTSA-N 306.322 -0.512 30 20 DBED COC[C@@](C)(CO)NCCS(=O)(=O)c1ccc(C#N)cn1 1364486170 NHAMDMKRWDUSJV-CYBMUJFWSA-N 313.379 -0.286 30 20 DBED CC[C@H](OC)C(=O)NC1CN(CC(=O)N(CC)CCC#N)C1 1373415803 PEHMAANOGDYAQL-ZDUSSCGKSA-N 310.398 -0.026 30 20 DBED COc1c[nH]c(C(=O)N2CC[C@H](NC(=O)[C@@H](C)C#N)C2)cc1=O 1386075698 SFYIWLJTMMTBQW-UWVGGRQHSA-N 318.333 -0.126 30 20 DBED C[C@@H](CNC(=O)c1cn(C)nn1)NC(=O)c1cc(C#N)c[nH]1 1386755200 OQVNEEBGEJFLOF-QMMMGPOBSA-N 301.310 -0.437 30 20 DBED CNC(=O)NCC(=O)N1CC[C@H]1CNC(=O)c1cc(C#N)c[nH]1 1389634617 SFUICAFCAFIGNE-JTQLQIEISA-N 318.337 -0.854 30 20 DBED CNC(=O)NCC(=O)NC[C@@H]1CCCN(C(=O)[C@@H](C)C#N)C1 1407936263 DVEAVADJOQCGER-QWRGUYRKSA-N 309.370 -0.570 30 20 DBED N#Cc1c[nH]c(C(=O)NC2CN(C(=O)CNC(=O)C3CC3)C2)c1 1409040486 JZGHMMZDAWTVPK-UHFFFAOYSA-N 315.333 -0.647 30 20 DBED CN1CCCC[C@H](CNC(=O)Cn2cc(C#N)c(O)nc2=O)C1 1413268197 CSCKGGSEBZCERR-LLVKDONJSA-N 319.365 -0.331 30 20 DBED CON1CCC(N(C)S(=O)(=O)N2CCO[C@H](C#N)C2)CC1 1414283447 WLQLUNQFICVHQW-GFCCVEGCSA-N 318.399 -0.587 30 20 DBED C[C@H](CNC(=O)c1ccc2nnnn2c1)CNC(=O)[C@H](C)C#N 1416481295 YPRKIRMRXFBLLT-VHSXEESVSA-N 315.337 -0.234 30 20 DBED COCC(=O)N[C@@H](C)[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCO1 1424645964 AKVMMCXZTSJQOV-GWCFXTLKSA-N 320.349 -0.122 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H](CNC(=O)C1(NC(N)=O)CC1)C1CC1 1427913432 UXDJEHVAZRYZMR-WPRPVWTQSA-N 307.354 -0.642 30 20 DBED CCCn1cc(C(=O)NC[C@H](O)CNC(=O)[C@@H](C)C#N)nn1 1433332488 FFWSCIPBYMSGCJ-VHSXEESVSA-N 308.342 -0.945 30 20 DBED CC(=O)N1CCC[C@H](CNc2[nH]c(=O)n(C)c(=O)c2C#N)C1 1434446192 XUMXSKOENAADJI-SNVBAGLBSA-N 305.338 -0.384 30 20 DBED CCN(CCNC(=O)c1cc(C#N)c[nH]1)C(=O)c1cnn[nH]1 1449342528 CKIQIKPYZZANFR-UHFFFAOYSA-N 301.310 -0.103 30 20 DBED COCc1cc(C(=O)NC[C@@H](O)CNC(=O)[C@H](C)C#N)no1 1452363136 WSMDTWOXNRWUMB-BDAKNGLRSA-N 310.310 -0.812 30 20 DBED Cc1ncc(C(=O)NC[C@@H](O)CNC(=O)[C@H](C)C#N)c(C)n1 1458028546 OUIWRVCCKBLSQT-KCJUWKMLSA-N 305.338 -0.540 30 20 DBED C=C(Cl)CNC[C@H](C)CNC(=O)Cn1cnc(C(N)=O)n1 1482103593 WQXXQLRAXIMBEP-QMMMGPOBSA-N 314.777 -0.529 30 20 DBED C=CCN(CCOC)c1nnc(-c2cn(CCO)nn2)n1C 1519176055 QUFSGSKEYFIGIO-UHFFFAOYSA-N 307.358 -0.295 30 20 DBED CCCN(CCNC(=O)[C@H](C)C#N)C(=O)[C@H](C)S(C)(=O)=O 1529652748 XZKNRWMIOQZRKQ-MNOVXSKESA-N 317.411 -0.066 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H](C)CCN=c1cc[nH]c(C(=O)O)n1 1573310931 FINAYIVRXAKBOV-GHMZBOCLSA-N 320.349 -0.058 30 20 DBED C[C@@H](CN(C)C(=O)NCCN/C(O)=C1\N=CC=CC1=O)C(=O)O 1573586517 DUXRMBNYDHTDEQ-QZOQKNACSA-N 324.337 -0.125 30 20 DBED CC(C)C#CC(=O)NCCN(C)c1ccnc(-c2nn[nH]n2)n1 1573946854 NGWPGUNUOBQOAK-UHFFFAOYSA-N 314.353 -0.132 30 20 DBED C=CCNC(=O)Cn1c(CC)nnc1N(C)Cc1cnn[nH]1 1575107864 BSCRSMYVXLOMLI-UHFFFAOYSA-N 304.358 -0.103 30 20 DBED C[C@]1(CNC(=O)C#CC2CC2)CN(CCc2cnn[nH]2)CCO1 1575972421 DCQRRXGSNTZXFW-INIZCTEOSA-N 317.393 -0.032 30 20 DBED C=CCN(C(=O)[C@@H]1CC(C(=O)O)=NO1)[C@H]1CCS(=O)(=O)C1 1588460517 MNOKMSJVBHYZIT-WPRPVWTQSA-N 316.335 -0.582 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N1C[C@@H](C(=O)O)O[C@H](C)C1 1592222269 TXEPEQIPTFAZLT-AEJSXWLSSA-N 305.356 -0.361 30 20 DBED N#Cc1ccc(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)O)cc1O 1594617787 LMGDYRGGGSOHCN-SNVBAGLBSA-N 324.314 -0.412 30 20 DBED COC[C@@](C)(CC(=O)O)NS(=O)(=O)N(C)[C@@H](C)CC#N 1599150433 LSMIJHWPZHWHSI-GXSJLCMTSA-N 307.372 -0.065 30 20 DBED CC(C)C#CC(=O)N(CCO)CCN=c1cc[nH]c(C(=O)O)n1 1603700304 QMVNNIKSGVJGAN-UHFFFAOYSA-N 320.349 -0.511 30 20 DBED CN(C)CC#CCNC(=O)N[C@H]1CCCCN(CC(=O)O)C1=O 1604057882 XTFZFAPSDDLKEJ-LBPRGKRZSA-N 324.381 -0.684 30 20 DBED CCCCN(O)C(=O)Cn1cc(-c2nn[nH]n2)c(O)nc1=O 1604182547 GVNBJZDOJQKGRS-UHFFFAOYSA-N 309.286 -0.853 30 20 DBED Cc1c(NC(=O)NCC(=O)NCC#N)cccc1-c1nn[nH]n1 1605496679 JYAOQEKNRDKVGV-UHFFFAOYSA-N 314.309 -0.064 30 20 DBED N#C[C@@]12CN(C[C@H]3[C@H](C(=O)O)C3(F)F)C[C@@H]1CS(=O)(=O)C2 1608190528 SUIHZSYTNLSMPX-LOKLDPHHSA-N 320.317 -0.178 30 20 DBED N#Cc1cc(C(=O)O)cn([C@@H]2CCN(CC(=O)O)C2=O)c1=O 1608195601 DEEXIVBWZQXZPE-SECBINFHSA-N 305.246 -0.724 30 20 DBED N#Cc1cnnc(N2CCN([C@@]3(C(=O)O)CCOC3)CC2)c1 1608222823 XRPKCDCTAFKWRD-AWEZNQCLSA-N 303.322 -0.286 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@H](C)N(C)C[C@H](O)COC 1674944541 ZLPIFHURMUZXGT-ILXRZTDVSA-N 311.426 -0.472 30 20 DBED Cn1nnc(Cn2c(C3CC3)nnc2N2CCO[C@@H](C#N)C2)n1 1748069761 YPCCFEHXKKJAOA-JTQLQIEISA-N 315.341 -0.544 30 20 DBED C[C@@H](C(=O)NC(N)=O)N(CCCNC(=O)[C@H](C)C#N)C1CC1 1752247210 NACLVZMFPNLVNP-ZJUUUORDSA-N 309.370 -0.300 30 20 DBED COCC#CCN(C)C[C@@H]1CCN(C(=O)[C@@H]2CN(C)C(=O)N2)C1 1753352183 KDYKEECWJDMRTH-KBPBESRZSA-N 322.409 -0.560 30 20 DBED CCN(CCNCC(=O)NCC#N)C(=O)[C@H]1CCC[C@@H]1OC 1754053528 VPCQZLJAGXAPGE-STQMWFEESA-N 310.398 -0.121 30 20 DBED Cc1ncc(C(=O)NC2(C)CCN(CC(=O)NCC#N)CC2)[nH]1 1754623669 LKGUFQAXMSUJLN-UHFFFAOYSA-N 318.381 -0.058 30 20 DBED C=C(Cl)CN1CC[C@@](O)(CNC(=O)[C@@H]2CCCNC2=O)C1 1754755703 XYJQWQBALOOTCF-BXUZGUMPSA-N 315.801 -0.182 30 20 DBED N#CCN1CC(O)(CNC(=O)CCNC(=O)C2CCCCC2)C1 1754776239 QOUBGZVAWMIQCX-UHFFFAOYSA-N 322.409 -0.241 30 20 DBED C=CCOCCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CNC(=O)N1 1754868558 OYCQGTCOYXDTSP-BFHYXJOUSA-N 322.409 -0.064 30 20 DBED N#Cc1ccc(F)cc1CN1CCOC[C@@H]1CNC(=O)C(N)=O 1754970962 DJXCWOCFQCJYBP-ZDUSSCGKSA-N 320.324 -0.500 30 20 DBED C#CCN[C@@]1(CO)CCCN(C(=O)[C@@H](NC(N)=O)C(C)(C)C)C1 1755091133 VCKFZPLWKBMKOW-WBMJQRKESA-N 324.425 -0.354 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)C(C)(C)NC(C)=O)C[C@@H]1C 1755117354 DWGWSBBXACJGRY-GXTWGEPZSA-N 309.410 -0.013 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@H](C)N(C)CCn1cncn1 1755302731 GFWXZCCCZCHJJE-CABCVRRESA-N 318.425 -0.188 30 20 DBED N#CCNC(=O)CN1C[C@H]2C(CNC(=O)c3cnsn3)[C@@H]2C1 1755418169 PBOJDWMOWUENRF-UWVGGRQHSA-N 320.378 -0.915 30 20 DBED C=CCCC(=O)N1CCO[C@H]([C@@H](C)NCc2nnnn2C)C1 1755438182 GZPLSRGVVCNYBV-NEPJUHHUSA-N 308.386 -0.118 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)CCn2ccnn2)[C@@H]1C 1755650281 JQZJHCMOTCAUFX-OLZOCXBDSA-N 320.397 -0.451 30 20 DBED C#CCNC(=O)CNC[C@@H](O)CN(C)C(=O)C1CC(F)(F)C1 1755777140 JTIPQBHFIKLEPU-LLVKDONJSA-N 317.336 -0.810 30 20 DBED CN(CC(=O)NCC#N)C[C@@H](O)CN(C)C(=O)[C@]1(C)C=CCC1 1755805175 SYXHDFSDGLGWPS-CZUORRHYSA-N 322.409 -0.266 30 20 DBED C=CCN1CCC([C@H](C)NC(=O)CNC(=O)CNC(C)=O)CC1 1755848075 CFBCXKFXDVHDIP-LBPRGKRZSA-N 324.425 -0.359 30 20 DBED C=CCCC(=O)NC[C@@H](C)N(C)C(=O)Cn1c(O)nnc1O 1756009270 LHDAIQYOLDGATN-SECBINFHSA-N 311.342 -0.381 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C1CCN(C(=O)c2cnn[nH]2)CC1 1756362248 SUYDGVDNHGLOMG-NSHDSACASA-N 319.365 -0.094 30 20 DBED CC(C)(C)C#CC(=O)N[C@@H]1CN(C(=O)c2ncc[nH]2)C[C@@H]1O 1757171972 PFCDYADFEDCCHX-MNOVXSKESA-N 304.350 -0.239 30 20 DBED C=CCN(CC=C)S(=O)(=O)N1CCC[C@@](O)(C(=O)O)C1 1776177449 ZQYOBXLMDBTPID-LBPRGKRZSA-N 304.368 -0.183 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#C)C2 1793347778 IVUZBMJWMCDTSE-XPCVCDNBSA-N 304.346 -0.753 30 20 DBED C=CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(OC)OC)C2 1800996800 SPWFWBPZSGLWHA-PTEHBNRSSA-N 312.366 -0.229 30 20 DBED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)[C@@H](O)CC)C1 1841279045 UPICOKHMCAXXRH-OLZOCXBDSA-N 308.378 -0.001 30 20 DBED C=CCC(=O)N1CCCC12CN(C(=O)[C@@H](N)CCC(N)=O)C2 1846376060 BSAVNRXFTHCGRY-NSHDSACASA-N 308.382 -0.641 30 20 DBED CC(=O)N[C@@H]1CCCN(C(=O)CO/N=C(\N)C(F)(F)F)C1 89506681 MEDUWWDVDKDHLC-MRVPVSSYSA-N 310.276 -0.035 30 20 DBED CCCn1c(N)c(C(=O)CN(C)C[C@H](C)C#N)c(=O)[nH]c1=O 143231644 MRQJRAJJGUMDMA-SECBINFHSA-N 307.354 -0.197 30 20 DBED C#CC[C@H](C)OC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 176215558 BYDRPAHVONGBSQ-VIFPVBQESA-N 304.306 -0.611 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H](O)C(F)(F)F)C1=O 267141431 UMWXVXQROQIHIT-ZCFIWIBFSA-N 323.227 -0.997 30 20 DBED N#Cc1ccc(N2CCN3C(=O)C(=O)NC[C@H]3C2)c([N+](=O)[O-])c1 267514523 STDNXVVZGFOQDK-JTQLQIEISA-N 315.289 -0.387 30 20 DBED CC(=O)N1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)[C@@H](C)C1 268639170 DFSJHMVXEFXACQ-VIFPVBQESA-N 305.338 -0.987 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@H](O)C(C)(C)C2)C1=O 279278031 KAXZEFKTGKDBTE-VIFPVBQESA-N 309.322 -0.808 30 20 DBED COC(=O)C[C@H]1CCCN1C(=O)NCCn1cnc(C#N)n1 286936406 LNNCVYRHVMPZDI-SNVBAGLBSA-N 306.326 -0.113 30 20 DBED CN(C)C(=O)O[C@@H]1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)C1 294875938 DSIFPLOUCJNIHT-SECBINFHSA-N 321.337 -0.767 30 20 DBED C[C@H](O)CN1CCN(/C(O)=N/C[C@@H]2CCCS2(=O)=O)CC1 329277353 KTJJSJJCRKUUMC-RYUDHWBXSA-N 319.427 -0.524 30 20 DBED CCS(=O)(=O)N1CCN(/C(O)=N/Cc2cnnn2C)CC1 329286052 GRLHSMLWQUDOEO-UHFFFAOYSA-N 316.387 -0.804 30 20 DBED C[C@@H]1COCC[C@H]1N/C(O)=N/CCN1CCCS1(=O)=O 330334887 RCASZRZQPLXFGE-GHMZBOCLSA-N 305.400 -0.050 30 20 DBED CC(=O)NC[C@@H]1CN(S(=O)(=O)CC2(C#N)CC2)CCO1 332033075 XQTSQJLFDFAPBW-LLVKDONJSA-N 301.368 -0.543 30 20 DBED CC(C)(O)[C@@H]1CCCN1S(=O)(=O)N1CCO[C@H](C#N)C1 336900548 BJFMTJQDRHZLJE-MNOVXSKESA-N 303.384 -0.309 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)NCc1ccc(C(N)=O)nc1 337903600 SIPHDFNYBAZHAE-SECBINFHSA-N 311.367 -0.251 30 20 DBED CC(C)[C@H](C#N)N1CCN(C(=O)CN2C[C@@H](O)[C@H](C)C2)CC1 341144239 MTPUFQVTQFUJBL-QLFBSQMISA-N 308.426 -0.009 30 20 DBED CC[C@@H](C(=O)OC)N1CCN(C(=O)Cn2cnc(C#N)n2)CC1 341694713 UMTIXXRFPCYPHY-NSHDSACASA-N 320.353 -0.754 30 20 DBED C[C@@H]1CO[C@@H](CO)CN1C(=O)CNC(=O)c1ccc(C#N)cc1 344236988 ZOFPZQAVJZGSPA-BXUZGUMPSA-N 317.345 -0.104 30 20 DBED C=CCNC(=O)CNC(=O)C(=O)Nc1cc(C#N)ccc1OC 347232257 LYVHNYBZEXALQQ-UHFFFAOYSA-N 316.317 -0.076 30 20 DBED C[C@@H]1CCN(S(=O)(=O)CCCCS(=O)(=O)NCC#N)C1 349591595 OTQUEGFJYGVDBO-LLVKDONJSA-N 323.440 -0.119 30 20 DBED CC[C@H](C)NC(=O)CN1CCN(S(=O)(=O)[C@H](C)C#N)CC1 352413656 PZZYQGRAECXBOT-NWDGAFQWSA-N 316.427 -0.239 30 20 DBED CNC(=O)[C@@H]1CCCN(S(=O)(=O)N(C)[C@H](C)CC#N)C1 407975928 LYLWOFIISFLGDB-GHMZBOCLSA-N 302.400 -0.077 30 20 DBED N#C[C@@H]1CC[C@@H](N2CCN(C(=O)C(=O)N3CCOCC3)CC2)C1 407986634 ATGCTOSCXZSXTN-ZIAGYGMSSA-N 320.393 -0.318 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CCC[C@H](C)[C@H]2CN)nn1 424551686 WVNGXIIMOHSFRP-WCQYABFASA-N 320.397 -0.334 30 20 DBED N#Cc1cccc([N+](=O)[O-])c1N1CCN2C(=O)C(=O)NC[C@H]2C1 425235696 PFWUAANDMAMVMD-JTQLQIEISA-N 315.289 -0.387 30 20 DBED C[C@@H](CC(N)=O)Nc1nc(N[C@H](C)CC(N)=O)ccc1C#N 436385729 OIPREXBDLGJVJT-BDAKNGLRSA-N 304.354 0.305 30 20 DBED CCCN(CC(N)=O)S(=O)(=O)N(CCC#N)CCOC 490502411 GHFMNMNHQZOEBN-UHFFFAOYSA-N 306.388 -0.709 30 20 DBED C#CCNC(=O)CN1CCN([C@H](C)C(=O)N(CC)CC)CC1 491440067 NHBHNXYGMZZRTB-CQSZACIVSA-N 308.426 -0.390 30 20 DBED C=CCCn1cc(C(=O)Nc2nc(N3CCNCC3)n[nH]2)nn1 574636335 ZEAVWGVUYAZKSA-UHFFFAOYSA-N 317.357 -0.366 30 20 DBED CN1CCN(C(=O)CCNC(=O)N2CC[C@](O)(CC#N)C2)CC1 591913100 VJCCCADUMYYAOA-OAHLLOKOSA-N 323.397 -0.789 30 20 DBED N#CC[C@@]1(O)CCN(CC#CCN2CC[C@@](O)(CC#N)C2)C1 592153785 OPIXQGMRZHSAMV-IYBDPMFKSA-N 302.378 -0.309 30 20 DBED COC(=O)c1coc(CNS(=O)(=O)N(C)C[C@@H](C)C#N)n1 593646324 VCIXWHUYMOXKCJ-QMMMGPOBSA-N 316.339 -0.113 30 20 DBED Cc1nc(=NC(=O)[C@H]2CCNC2=O)n(-c2ccc(C#N)cc2)[nH]1 598686358 ZSBXOYIJQSBYLZ-LBPRGKRZSA-N 310.317 -0.056 30 20 DBED N#Cc1cccc(NC(=O)C(=O)NCCN2CC[C@@H](O)C2)c1 600069957 AAYLLBOFDMFFSS-CYBMUJFWSA-N 302.334 -0.320 30 20 DBED N#CCCN1CCN(C(=O)C(=O)N2CCc3c[nH]nc3C2)CC1 601464825 SCWQHEAYAUTYHT-UHFFFAOYSA-N 316.365 -0.648 30 20 DBED C[C@](O)(Cn1ccccc1=O)C(=O)N1CCN(CCC#N)CC1 602206411 LQINPQUEXWUZIJ-INIZCTEOSA-N 318.377 -0.343 30 20 DBED Cn1cc(C#N)c(NC(=O)NCC(C)(C)NS(C)(=O)=O)n1 610560610 OCCQZLRPYUAIES-UHFFFAOYSA-N 314.371 -0.259 30 20 DBED C#Cc1ccc(C(=O)NCC(=O)N2CCN(CC)CC2)cn1 728985844 XATPNNZOPNTOFE-UHFFFAOYSA-N 300.362 -0.043 30 20 DBED N#Cc1cnn(CCOC(=O)Cn2ccc([N+](=O)[O-])n2)c1N 731773628 UOUOZXBRPCHWNV-UHFFFAOYSA-N 305.254 -0.315 30 20 DBED C=CCN(CC(=O)NCCC(=O)O)[C@H]1CCS(=O)(=O)C1 736108551 ZFVNBFYHZOTNLF-JTQLQIEISA-N 304.368 -0.748 30 20 DBED CC(=NNC(=S)NCC(N)=O)c1cc(C(=O)O)ccc1O 757465554 QHCARRUJQDNKKD-UHFFFAOYSA-N 310.335 -0.236 30 20 DBED C#CCC(C)(C)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 767072166 SJGKOONGQNXSPU-UHFFFAOYSA-N 315.439 -0.271 30 20 DBED C#C[C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 775384252 DADGJEWVDJGMBW-NXEZZACHSA-N 323.374 -0.410 30 20 DBED C#C[C@@H](NC(=O)NC1CC(NS(C)(=O)=O)C1)[C@@H]1CCCO1 801052214 YDMFEILWKXTJSP-HCWSGVFWSA-N 315.395 -0.453 30 20 DBED C=C(CO)C(=O)N1CCC[C@H](CNS(=O)(=O)C2CC2)C1 813825771 KZKKJIOBWWFWSZ-LLVKDONJSA-N 302.396 -0.145 30 20 DBED CC(C)NS(=O)(=O)CCNC(=O)[C@@](C)(C#N)CC(=O)O 820029884 VRSXWCHBFJGFJU-LLVKDONJSA-N 305.356 -0.565 30 20 DBED COC(=O)C[C@H](NC(=O)C#Cc1ccc2c(c1)OCO2)C(=O)O 831129302 VVNBJONLWDUPSH-JTQLQIEISA-N 319.269 -0.101 30 20 DBED CN(C)S(=O)(=O)c1cccc(C(=O)N[C@@H]2CNC[C@H]2C#N)c1 834504641 DKLGCIFSEIITHO-DGCLKSJQSA-N 322.390 -0.222 30 20 DBED C#C[C@](C)(CC)NCC(=O)c1c(O)nc(=O)n(CCOC)c1N 852100018 FLKHUEFHDOHTMS-OAHLLOKOSA-N 322.365 -0.248 30 20 DBED C#CCCN(CCOC)C(=O)c1ccnc(S(N)(=O)=O)c1 856390389 PWPSUOASJWNGDR-UHFFFAOYSA-N 311.363 -0.159 30 20 DBED C#C[C@@H](CC)NC(=O)N1CCCN(C(=O)CNC(C)=O)CC1 858395909 SJULVUSHXIISNF-ZDUSSCGKSA-N 308.382 -0.222 30 20 DBED C#CCNC(=O)C1CCN(C(=O)[C@@H]2CCCC(=O)N2C)CC1 906462551 PTAUSUGDBQMDAJ-ZDUSSCGKSA-N 305.378 -0.015 30 20 DBED C#CC[C@H](NC(=O)CN1CCC[C@@H](C(=O)OCC)C1)C(=O)OC 909889688 MDPYAVOXLZZFPM-OLZOCXBDSA-N 324.377 -0.057 30 20 DBED COc1cc([N+](=O)[O-])ccc1NN=C1C(=O)NC(=O)NC1=O 916625819 QPJMEUDBMWSEMX-UHFFFAOYSA-N 307.222 -0.263 30 20 DBED C#CC[C@H](CO)NC(=O)NCC1(OCCOC)CCOCC1 922664144 LICKXPXYHMTSSI-CYBMUJFWSA-N 314.382 -0.118 30 20 DBED C#CC1(O)CN(CC(=O)N2CCN(C(=O)c3ccco3)CC2)C1 934443312 LPUQVECFIAKQKF-UHFFFAOYSA-N 317.345 -0.756 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C2CN(Cc3cnn(C)n3)C2)CC1 941347699 BAWKCHTWMSDGOL-GFCCVEGCSA-N 317.397 -0.697 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2[C@H]3C[C@H]2N(C(=O)c2cnn[nH]2)C3)[nH]1 946952110 YHVOOWWTIDOIPK-BPTDKIDVSA-N 311.305 -0.353 30 20 DBED N#Cc1ccc(C(=O)NC[C@@H]2CCN2C(=O)Cn2cncn2)[nH]1 949452322 IPFLXEMSGRJSCR-NSHDSACASA-N 313.321 -0.491 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(CC)C1CN([C@@H](C)C(=O)NC)C1 950533428 DYNLRIBEGKJKLQ-ZFWWWQNUSA-N 320.437 -0.249 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]1CNC(=O)c1cnc2n1CCOC2 950776625 CMCLLSQZWXJYJO-GHMZBOCLSA-N 317.349 -0.096 30 20 DBED C[C@H](C#N)C(=O)N1CC(N(C)C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 955345568 XRCBYKPSYSAQOE-JLLWLGSASA-N 306.366 -0.460 30 20 DBED C=CCCN1C[C@H](O)[C@H](CNC(=O)c2cn(CCOC)nn2)C1 958061422 BHBCLFWYDVMSNS-OCCSQVGLSA-N 323.397 -0.477 30 20 DBED N#CCN1C[C@@H](O)[C@@H](CNC(=O)c2ccc3c(c2)NC(=O)C3)C1 958082595 ZCJSFSUWPHZTJQ-GXTWGEPZSA-N 314.345 -0.273 30 20 DBED C=CCN1C[C@H](CNC(=O)c2cc(CN(C)C)on2)[C@@H](O)C1 958201119 WGNORWVCWZDWKP-FZMZJTMJSA-N 308.382 -0.055 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)Cn1ccnc1 960582582 DNQNMAPZIITXOS-FRRDWIJNSA-N 317.349 -0.519 30 20 DBED CC(F)(F)C(=O)N[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1O 961162696 LYUDXCDEAASUEC-ZJUUUORDSA-N 312.276 -0.157 30 20 DBED Cc1cnc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)cn1 961320101 JDEWSNDYOUZYNQ-AXTRIDKLSA-N 303.322 -0.754 30 20 DBED C=CCN1C[C@H]2C(NC(=O)[C@@H]3CCc4nnnn4CC3)[C@@H]2C1 961843846 CGMAMOMGFHMGML-IJLUTSLNSA-N 302.382 -0.142 30 20 DBED C=C(Cl)CN1C[C@H]2[C@H](NC(=O)CN3C(=O)CCC3=O)[C@H]2C1 962497576 SXZALWDVZDKVHB-MSRIBSCDSA-N 311.769 -0.066 30 20 DBED Cc1ncn(C)c1C(=O)NC[C@H]1COCCN1C(=O)[C@H](C)C#N 964231201 CJRCLJUZZOBVIX-PWSUYJOCSA-N 319.365 -0.155 30 20 DBED Cc1nonc1C(=O)NC[C@H]1COCCN1C(=O)C#CC1CC1 964237246 NKRCORFERQPIFS-LBPRGKRZSA-N 318.333 -0.251 30 20 DBED CCN(C(=O)[C@@H]1COCCN1CC)C1CN(C(=O)[C@@H](C)C#N)C1 968114092 XWGSAYAEYTVILX-JSGCOSHPSA-N 322.409 -0.074 30 20 DBED C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)CN2CC(=O)NC2=O)C1 968431114 JBCXWSVIATVIPT-VXGBXAGGSA-N 308.382 -0.059 30 20 DBED Cc1nn(CC(=O)N[C@H]2CN(CC#N)CC[C@@H]2C)c(=O)n1C 968597234 USBOYQCUKNBAQX-JQWIXIFHSA-N 306.370 -0.760 30 20 DBED Cc1cncn1CC(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1O 968947365 XRIKYFZYZNODCB-WCQGTBRESA-N 305.338 -0.961 30 20 DBED C#CCCN1C[C@H](NC(=O)c2nnc(O)nc2O)C(C)(C)C1 974780482 RNXFCPIUWBRNNI-VIFPVBQESA-N 305.338 -0.254 30 20 DBED C=CCCN1C[C@H](NC(=O)CN2CCNC(=O)C2)C(C)(C)C1 974913619 OYGIJVYFVKOGQW-ZDUSSCGKSA-N 308.426 -0.179 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)[C@@H]3COCCN3C)[C@H]2C1 976397395 XDKGURFCVGMBSL-BNDIWNMDSA-N 306.366 -0.950 30 20 DBED N#CCN1CCCN(C(=O)c2coc(S(N)(=O)=O)c2)CC1 981474538 UCPQYLOZDLDTEZ-UHFFFAOYSA-N 312.351 -0.402 30 20 DBED C#CCN1CCCC2(C1)CN(C(=O)CC1CS(=O)(=O)C1)C2 981857658 BFOPNGUNSCCWSH-UHFFFAOYSA-N 310.419 -0.021 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)C(F)F)C[C@H]2O)[nH]1 991397957 DJBXBEKBQOAGDP-WCBMZHEXSA-N 312.276 -0.157 30 20 DBED NC(=O)c1ncccc1C(=O)NC1CN(C(=O)C#CC2CC2)C1 992710100 VWZJABFCFQWCIE-UHFFFAOYSA-N 312.329 -0.466 30 20 DBED C=C[C@](C)(CC)C(=O)N1CC(NC(=O)Cn2ncn(C)c2=O)C1 994970377 NCTLKRUENMVXFR-OAHLLOKOSA-N 321.381 -0.489 30 20 DBED COCCn1cc(C(=O)NC2CN(C(=O)[C@@H](C)C#N)C2)cn1 997673727 YISRLFKGIAGNDN-JTQLQIEISA-N 305.338 -0.370 30 20 DBED NC(=O)N1CCCC[C@H]1C(=O)NC1CN(C(=O)C#CC2CC2)C1 1000219266 QRRHAUASCGJRAH-ZDUSSCGKSA-N 318.377 -0.340 30 20 DBED Cn1cc(C(=O)N2CC(CNC(=O)c3c[nH]c(C#N)c3)C2)nn1 1001507144 NZZXDUUXGJGCAZ-UHFFFAOYSA-N 313.321 -0.483 30 20 DBED C[C@@H]1CCN(C(=O)CC(N)=O)C[C@@H]1NC(=O)c1ccc(C#N)[nH]1 1004736427 PIGKZSWDSVRHAF-SKDRFNHKSA-N 317.349 -0.271 30 20 DBED C[C@@H](C#N)C(=O)N1CC([C@H](C)NC(=O)c2cn(C)c(O)n2)C1 1006786065 MKYVHCUWPAWZOK-IUCAKERBSA-N 305.338 -0.138 30 20 DBED C[C@@H](C(=O)N1CCN(C(=O)C#CC2CC2)CC1)N1CCOCC1 1011107864 UJNJVQNRBVBVLG-AWEZNQCLSA-N 319.405 -0.209 30 20 DBED C[C@H]1[C@@H](NC(=O)Cn2cnnc2O)CCN1C(=O)C#CC1CC1 1011738157 DOHYZSJKCSQFCD-JQWIXIFHSA-N 317.349 -0.497 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C(=O)[C@H]2CCCC(=O)N2C)CC1 1011997489 CXKSQQHDJJYBBH-VXGBXAGGSA-N 306.366 -0.172 30 20 DBED C#Cc1ccc(C(=O)N2C[C@H]3C(NC(=O)c4cnn[nH]4)[C@@H]3C2)cn1 1013379666 MVYIJYDICSWCFC-VXGBXAGGSA-N 322.328 -0.319 30 20 DBED N#Cc1cc(C(=O)NC2CC3(CC(NC(=O)C(N)=O)C3)C2)c[nH]1 1013991035 BVXSRGJKHYYRGN-UHFFFAOYSA-N 315.333 -0.471 30 20 DBED N#Cc1ccc(C(=O)N2CCC3(CN(C(=O)CC(N)=O)C3)C2)[nH]1 1018889743 VNXPXEDZKNARHB-UHFFFAOYSA-N 315.333 -0.564 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCN(C(=O)[C@H]3CN(C)CCO3)C2)C1 1019362028 YNQTXVLCLTUPFI-CHWSQXEVSA-N 320.393 -0.462 30 20 DBED Cc1c(C(=O)N2CC[C@H]3CN(C(=O)[C@@H](C)C#N)C[C@H]32)nnn1C 1021282274 BYLZGRPKBZKTSL-ZMLRMANQSA-N 316.365 -0.044 30 20 DBED C#CCN1CCC[C@H]1CNC(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1 1028136088 HHAUEVSZYYCQSA-MJBXVCDLSA-N 307.394 -0.164 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2[C@@H]1CCC(=O)NC1=O 1029244443 HEHGWJKMCSACGZ-WISYIIOYSA-N 304.350 -0.374 30 20 DBED C=C(Cl)CN1CC(NC(=O)c2cc(=O)n3[nH]cnc3n2)C1 1031249999 OXHXNMPCXLHSCF-UHFFFAOYSA-N 308.729 -0.416 30 20 DBED C=CCN1CC[C@H]2CN(C(=O)CN3CCNC(=O)C3)CC[C@@H]21 1036792187 LKQUOBLZUPBKBX-KBPBESRZSA-N 306.410 -0.473 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@]1(O)CCN(C(=O)c2cnco2)C1 1039579795 KGLYEYIFBHVATN-GJZGRUSLSA-N 323.349 -0.305 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@]1(O)CCN(C(=O)CCOC)C1 1039580192 OSOICQXKUNZRFS-LSDHHAIUSA-N 314.382 -0.570 30 20 DBED N#Cc1cncc(N2C[C@@H](O)[C@H](NC(=O)C[C@H]3CCOC3)C2)n1 1040961129 BTTJKYUGDLATEZ-RAIGVLPGSA-N 317.349 -0.559 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(O)(CNC(=O)[C@H](C)OCC)C1 1041627828 QRLJCPQUZFLCOR-FZMZJTMJSA-N 314.382 -0.572 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)[C@H]2CO[C@H](C)C2)C1 1042053052 ZCGQJIXPAKAPDP-VXGBXAGGSA-N 312.366 -0.697 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)CCn2ccnn2)C1 1042786674 UVVXIMSFFXFUPQ-UHFFFAOYSA-N 321.381 -0.430 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)c2cn(C)nc2C)C1 1042802238 HJAIUVSYKFJCPM-UHFFFAOYSA-N 318.377 -0.165 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(O)CN(C(=O)[C@H]2CCCO2)C1 1042810164 UYWVAIUCISXZLN-BXUZGUMPSA-N 312.366 -0.818 30 20 DBED C=CCn1cc(C(=O)N(C)C2CN(Cc3ncnn3C)C2)nn1 1044021907 BEZRBTJPCZQVMH-UHFFFAOYSA-N 316.369 -0.451 30 20 DBED C#CCCCCC(=O)N1CC(O)(CNC(=O)[C@H](C)CC(N)=O)C1 1044436340 SSSFLKNJRNDVML-GFCCVEGCSA-N 323.393 -0.619 30 20 DBED C[C@@H]1C[C@@H](NCC#N)CCN1C(=O)CN1C(=O)NC(C)(C)C1=O 1044844534 LMYVWLMVJTXNKF-MNOVXSKESA-N 321.381 -0.191 30 20 DBED CC#CCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1045022023 INPLYYWPAGKCGV-NHAGDIPZSA-N 320.389 -0.238 30 20 DBED CC(C)n1cc(C(=O)N2CC(O)(CNC(=O)[C@H](C)C#N)C2)nn1 1045546461 MLXWFJJFIDIPMG-SNVBAGLBSA-N 320.353 -0.678 30 20 DBED CNC(=O)CCCCC(=O)N1CC(O)(CNC(=O)[C@H](C)C#N)C1 1045564397 GRETXLHVPXNIER-LLVKDONJSA-N 324.381 -0.858 30 20 DBED C#CCN1CC[C@H](N2CCN(C(=O)c3cncnc3O)CC2)C1 1046039177 NNMDVJAPTFRRCK-ZDUSSCGKSA-N 315.377 -0.353 30 20 DBED C#CCN1CC[C@@H](N2CCN(C(=O)[C@]3(F)CCOC3)CC2)C1 1046055914 KFGRKGDBYKRYDL-ZBFHGGJFSA-N 309.385 -0.033 30 20 DBED C=C1CC(C)(C(=O)N2CC(O)(CNC(=O)Cc3cnc[nH]3)C2)C1 1047177665 SJQMMUBFZQTWEA-UHFFFAOYSA-N 318.377 -0.002 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccnn2C)C1 1047466989 ZAQQORKFGYSPHN-UXOAXIEHSA-N 302.378 -0.340 30 20 DBED C=CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3nn[nH]c3C2)C1 1047593501 JRIGLFRYZPFJSL-CQDKDKBSSA-N 319.409 -0.011 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C2CC2)N2CCOCC2)C1 1047635698 AGELZIQKCFJPFJ-HRCADAONSA-N 323.437 -0.213 30 20 DBED C=CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C(N)=O)ccn2)C1 1047657421 HQMWNVDXHLGPCS-KBPBESRZSA-N 318.377 -0.126 30 20 DBED CC(C)CN1C[C@@H](C(=O)NC[C@@H]2COCCN2CC#N)CC1=O 1050943956 AAKMJDGLXXTJDR-UONOGXRCSA-N 322.409 -0.169 30 20 DBED CC(C)n1nnnc1CNC[C@H]1CN(C(=O)[C@@H](C)C#N)CCO1 1051495122 QYNVHKADYGEJCW-RYUDHWBXSA-N 321.385 -0.269 30 20 DBED C#CCN1CCN([C@@H]2CCN(C(=O)[C@]3(C)CNC(=O)C3)C2)CC1 1052056543 FLPWZBBVOPLYRC-PBHICJAKSA-N 318.421 -0.636 30 20 DBED C=CCOCCCC(=O)N1C[C@@H](C)[C@H](CNC(=O)C(N)=O)C1 1052312984 GQWRQTZYSBFIQH-VXGBXAGGSA-N 311.382 -0.335 30 20 DBED Cc1nc(CN2CC3(C2)CN(C(=O)C#CC2CC2)CCO3)n[nH]1 1053250009 IVXGRBMSCMKBEK-UHFFFAOYSA-N 315.377 -0.060 30 20 DBED COc1c[nH]c(C(=O)N2CCOC3(CN(CC#N)C3)C2)cc1=O 1053341819 KTCYTJYEZHGAPP-UHFFFAOYSA-N 318.333 -0.566 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2COC3(C2)CN(CCCO)C3)c[nH]1 1053779168 ORZPHEPVSWGUCF-ZDUSSCGKSA-N 304.350 -0.158 30 20 DBED C=CCCN1CC2(C[C@H](NC(=O)[C@H]3CN(C)C(=O)N3)CO2)C1 1053892557 YCHNOLONAZSFKQ-NWDGAFQWSA-N 308.382 -0.454 30 20 DBED C=CCN1CC2(C[C@@H](NC(=O)c3cn(C)c(=O)nc3O)CO2)C1 1054005819 MSDIRAMLUKTOSA-SNVBAGLBSA-N 320.349 -0.755 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@](CO)(NC(=O)Cc2cc[nH]n2)C1 1055853537 YXQWPUBVKJPHGL-XHDPSFHLSA-N 319.365 -0.418 30 20 DBED CN1C[C@H](C(=O)N2CCN(c3ccnc(C#N)n3)CC2)CC1=O 1056056804 DKUJDYFDUXDSLJ-LLVKDONJSA-N 314.349 -0.525 30 20 DBED Cn1ncc(C(=O)N[C@H]2[C@@H]3CN(c4cncc(C#N)n4)C[C@@H]32)c1N 1056176483 PPNQAWBAASOQEK-PJXYFTJBSA-N 324.348 -0.471 30 20 DBED N#Cc1ccc(N2C[C@H]3C(NC(=O)[C@@]45COC[C@@H]4C5)[C@@H]3C2)nn1 1056450980 JOOPBLFYBSTJFN-YVYGNJPRSA-N 311.345 -0.064 30 20 DBED C#CCCCC(=O)N1C[C@@H]2CCCN(C(=O)CNC(N)=O)[C@@H]2C1 1056594716 COKNSSFJUCWHRY-QWHCGFSZSA-N 320.393 -0.092 30 20 DBED C=C[C@](C)(O)CC(=O)N1C[C@@H]2CCCN(C(=O)C(N)=O)[C@@H]2C1 1056711747 XZCKAHKSFSSYLC-RWSFTLGLSA-N 309.366 -0.752 30 20 DBED C=CCn1cc(C(=O)NCCN(CCO)C(=O)[C@@H]2C[C@@H]2C)nn1 1056862810 OLHNAOVKEPFNRF-NWDGAFQWSA-N 321.381 -0.329 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](N(C)c2ccc3nnnn3n2)C1 1056871402 KFOMOGJUEIRQKY-NXEZZACHSA-N 300.326 -0.284 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)[C@H]1CCCOC1 1057193834 QENZBSBJQFCTJE-ZDUSSCGKSA-N 314.382 -0.447 30 20 DBED C=CCO[C@H](C)C(=O)N(CCO)CCNC(=O)Cc1ncc[nH]1 1057922082 WNKNWCOGNPCTEJ-GFCCVEGCSA-N 324.381 -0.520 30 20 DBED COCc1nocc1C(=O)N(CCO)CCNC(=O)[C@H](C)C#N 1058108563 SUTNWKZCTUYKDQ-SNVBAGLBSA-N 324.337 -0.469 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)[C@@H]1CC[C@@H]1C(N)=O 1058294957 WFASQMGARMRRDM-NWDGAFQWSA-N 311.382 -0.599 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)[C@]1(F)CCOC1 1058495478 RKJWUGFCDLWIMF-AWEZNQCLSA-N 318.345 -0.745 30 20 DBED CCn1nnc(C)c1C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N 1058656808 LBEPXEQRODJEKX-JTQLQIEISA-N 322.369 -0.683 30 20 DBED C[C@@]1(C(=O)N2CC[C@H](N=c3cc[nH]cc3C#N)C2)CCNC1=O 1059063379 YPACNHDFAYHCQM-BLLLJJGKSA-N 313.361 -0.086 30 20 DBED CN1C[C@@H](C(=O)N[C@H]2C[C@@H](N=c3cc[nH]c(C#N)n3)C2)CC1=O 1059862264 DVIUDXSVTBUKHK-GARJFASQSA-N 314.349 -0.692 30 20 DBED N#Cc1ccc(NC[C@@H]2CCN(C(=O)[C@H]3CCC(=O)N3)C2)nn1 1060827021 MDHMVTWQHWMEJM-CMPLNLGQSA-N 314.349 -0.113 30 20 DBED N#Cc1cncc(NC[C@H]2CCN(C(=O)[C@@H]3CCC(=O)N3)C2)n1 1060899525 GOERRMRSHWUYQY-PWSUYJOCSA-N 314.349 -0.113 30 20 DBED Cn1ccc(C(=O)N2CCOC[C@@H]2CNC(=O)C#CC2CC2)n1 1061571644 FAIQIWOCWHGIAO-ZDUSSCGKSA-N 316.361 -0.209 30 20 DBED C#CCO[C@H](C)C(=O)NC1(CNC(=O)C2(C(N)=O)CC2)CCC1 1064286780 KQSMEWDXNQKNCM-LLVKDONJSA-N 321.377 -0.555 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H]1CN(C(=O)c2cocn2)CCO1 1064971232 XGNWKJXJLBFMJZ-NEPJUHHUSA-N 321.333 -0.330 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CCCN(C(=O)CCn2cnnn2)CC1 1066478519 KLLPPUAXWCXIJW-RYUDHWBXSA-N 319.369 -0.280 30 20 DBED C=C[C@H](C)[C@H](C)C(=O)N1CCOC2(CN(C(=O)C(N)=O)C2)C1 1068436692 PHGSHNRRTPNAMZ-QWRGUYRKSA-N 309.366 -0.630 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CCC2(CN(C(=O)c3nc[nH]n3)C2)O1 1068621220 XDGQRYPAXUPNDE-ZJUUUORDSA-N 318.337 -0.546 30 20 DBED C=CCCC(=O)N[C@H]1COC2(C1)CN(C(=O)Cn1nccn1)C2 1068754032 WEAMBNDDYZQJLI-GFCCVEGCSA-N 319.365 -0.270 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCCN(C(=O)C(C)(C)F)C1 1070355799 FQQIGUKQZGXFTK-LLVKDONJSA-N 311.357 -0.019 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)[C@H]4CCC(=O)N4C)C[C@@]3(C1)O2 1070841553 QDBHAZDMAGGUEB-ZOMKSWQUSA-N 317.389 -0.458 30 20 DBED C[C@@H]1[C@H](C(=O)N2CCC(=O)NCCN(CC#N)CC2)CCN1C 1070964564 PLXZFIGGZGRGEI-ZIAGYGMSSA-N 321.425 -0.499 30 20 DBED CN1C[C@H](C(=O)N2CCC[C@@H](NC(=O)C#CC3CC3)C2)NC1=O 1071069996 BEWWBWJKEKTQFL-CHWSQXEVSA-N 318.377 -0.469 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC(O)(CNC(=O)C2CC2)CC1 1074588696 PSCKDQIPURRWKA-LBPRGKRZSA-N 308.378 -0.096 30 20 DBED C[C@H]1[C@@H](NCC#N)CCN1C(=O)[C@@H]1CCN(C)S1(=O)=O 1074962178 HAHQCQRMNKYPIR-DCAQKATOSA-N 300.384 -0.877 30 20 DBED C[C@@H](CC(=O)NCC[C@H](C)NC(=O)C#CC1CC1)NC(N)=O 1076520175 WKYNCDABZQXGAY-QWRGUYRKSA-N 308.382 -0.142 30 20 DBED CC#CCN1C[C@@H]2CCN(C(=O)CN3C(=O)CCC3=O)[C@@H]2C1 1076548830 JRZPAKHATMEKKL-QWHCGFSZSA-N 303.362 -0.309 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)c2cc(=O)c(OC)c[nH]2)C1 1077389182 NTSJPQUYCOPNRD-DGCLKSJQSA-N 307.350 -0.266 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)Cc2nc3ncccn3n2)C1 1078172099 MNNATXYZHUQYQF-GHMZBOCLSA-N 302.338 -0.986 30 20 DBED Cn1cnnc1CNC[C@H]1CN(C(=O)C#CC2CC2)CCCO1 1078397766 FESQSRHIHZKTLL-AWEZNQCLSA-N 317.393 -0.064 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CO)(NC(=O)Cc2cnoc2)CC1 1080957245 AGHWJHUIFQHELR-LLVKDONJSA-N 320.349 -0.154 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)Cc2nonc2C)C[C@H]1O 1081335673 NRSYMBSZTCFYQT-WCQYABFASA-N 322.365 -0.178 30 20 DBED C=C(C)CCC(=O)NC[C@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@@H]1O 1081533240 IJWFSFCDFBGSCU-RYUDHWBXSA-N 323.393 -0.456 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@H](CNC(=O)c2ncccn2)C1 1081688524 SYSVGQXJWPPYCN-OLZOCXBDSA-N 316.361 -0.315 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)Cc1nc2ncccn2n1 1082367691 SBRFBCUWENSJCW-GHMZBOCLSA-N 315.337 -0.994 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCCN2C2CCOCC2)C1 1083519690 GCEAOZWVUMOGKN-KFWWJZLASA-N 322.409 -0.685 30 20 DBED C=CCCn1cc(C(=O)N[C@@H]2CN(C[C@@H](C)OC)C[C@@H]2O)nn1 1083846680 MHHTWFBVULEHNV-BZPMIXESSA-N 323.397 -0.336 30 20 DBED CN1CC[C@H](C(=O)NC[C@H]2C[C@@H](NCC#N)C2)S1(=O)=O 1086223232 GXBJDLSGYKBUAP-OUAUKWLOSA-N 300.384 -0.972 30 20 DBED N#CCN[C@H]1C[C@H](CNC(=O)[C@@H]2CN3CC4CC3(CO2)C4)C1 1086432257 PIUHVLSLSBZANA-LCEPCISISA-N 304.394 -0.142 30 20 DBED CC1(C)[C@H](NC(=O)Cn2cnnn2)[C@@H]2CCCN(CC#N)[C@H]21 1087271171 NHQJZLNHGNVSRL-CYZMBNFOSA-N 303.370 -0.198 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)c3cn(C)c(=O)nc3O)C[C@@H]2C1 1088198858 MHXVEDBHJMVDRH-NEPJUHHUSA-N 316.361 -0.487 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CC[C@H](C)N(c2cnc(C#N)cn2)C1 1089128759 GJDSXBCXMYCJDF-WDEREUQCSA-N 316.365 -0.042 30 20 DBED CCN(c1nccnc1C#N)[C@H](C)CNC(=O)CNC(N)=O 1089571858 PYBHSJGQRFPZMS-SECBINFHSA-N 305.342 -0.652 30 20 DBED Cn1cnc(C(=O)N[C@H]2CN(CC#N)CC3(CCOCC3)C2)n1 1089940080 XHDWVRAHNUVFHU-GFCCVEGCSA-N 318.381 -0.060 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cccn3c(O)nnc23)[C@H](O)C1 1090722554 NRAUVWLDGWDXHE-NWDGAFQWSA-N 315.333 -0.767 30 20 DBED C#CCN1CC[C@H](NC(=O)c2ccc(C(N)=O)cc2)[C@H](O)C1 1090802692 RHRULVCFZQIGOU-UONOGXRCSA-N 301.346 -0.416 30 20 DBED C=C(C)CCN1CC[C@@H](NC(=O)c2cn(C)c(=O)n2C)[C@H](O)C1 1090832565 DXVHNBDTYJOPPV-TZMCWYRMSA-N 322.409 -0.145 30 20 DBED Cc1nsc(N2CC[C@H](NC(=O)CC(N)=O)[C@@H](O)C2)c1C#N 1092134181 KSXJBIYWUAURRN-UWVGGRQHSA-N 323.378 -0.746 30 20 DBED N#Cc1cncc(N2C[C@H]3C(NC(=O)CCn4cncn4)[C@@H]3C2)n1 1093232131 NRFCNGQKLWCKDV-VXGBXAGGSA-N 324.348 -0.419 30 20 DBED N#Cc1cncc(NCCNC(=O)CCCn2cncn2)n1 1093853487 RZJAMLAHQJMPDY-UHFFFAOYSA-N 300.326 -0.052 30 20 DBED N#Cc1cnc(NCCNC(=O)c2coc(C(N)=O)c2)cn1 1094020109 NEAHHNXTANEZMW-UHFFFAOYSA-N 300.278 -0.118 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)[C@H]3CCCN3C)CC2=O)C1 1094714115 PLTJSTJSYOAKFH-TZMCWYRMSA-N 304.394 -0.885 30 20 DBED C=C(C)CN1CC(N2C[C@H](NC(=O)c3cnnn3C)CC2=O)C1 1094734194 SIIXOVVBBFEKQC-LLVKDONJSA-N 318.381 -0.594 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)c3[nH]cnc3CC)CC2=O)C1 1094812060 XNBIXFRSTQADOY-NSHDSACASA-N 315.377 -0.380 30 20 DBED COCC(=O)N[C@H](C)C(=O)NCCCNc1cnc(C#N)cn1 1094844140 FIIVOWFNDAQWFQ-SNVBAGLBSA-N 320.353 -0.582 30 20 DBED N#Cc1cccnc1NCCCNC(=O)CN1CCOCC1=O 1094860570 QRMSBHJSNZQKAV-UHFFFAOYSA-N 317.349 -0.270 30 20 DBED CCC(=O)NCC(=O)N1CC[C@H](N(C)c2cnc(C#N)cn2)C1 1095100573 XJQSXXGLWAYFEC-LBPRGKRZSA-N 316.365 -0.088 30 20 DBED Cc1cc(C#N)nc(N(C)CCCNC(=O)[C@@H]2CCNC2=O)n1 1095696742 LLHYUJBLAQMAGA-LBPRGKRZSA-N 316.365 -0.265 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CCCN(c2cnc(F)cn2)C1 1096162886 STWREHKKAZVBNA-NSHDSACASA-N 319.340 -0.160 30 20 DBED CCCC(=O)NCC(=O)N[C@@H]1CCN(c2cncc(C#N)n2)C1 1096327824 PHUOGFAKFXYKPU-LLVKDONJSA-N 316.365 -0.041 30 20 DBED CC(=O)N(C)CC(=O)N1CC[C@H](Nc2cnc(C#N)cn2)C1 1096918357 QPTWBZGYIUCRJL-NSHDSACASA-N 302.338 -0.161 30 20 DBED Cc1cc(=N[C@H]2C[C@@H](NC(=O)CS(C)(=O)=O)C2)c(C#N)c[nH]1 1097152293 APJDYSZPZOYRKU-TXEJJXNPSA-N 322.390 -0.213 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2ccnn2C)[C@H](O)C1 1099711518 ATGKYWSNUVJRBD-TZMCWYRMSA-N 306.366 -0.765 30 20 DBED C=C(Cl)CN1CC[C@@H](NC(=O)CCn2ccnn2)[C@@H](O)C1 1099795208 ZICOUANPGYZYOW-NEPJUHHUSA-N 313.789 -0.028 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CCCCNC(N)=O)[C@H](O)C1 1099908356 CACVCDCEVMRUHD-CHWSQXEVSA-N 310.398 -0.600 30 20 DBED C=CCCCC(=O)N[C@H]1CCN(CCOCCO)C[C@H]1O 1099973519 FGWJTUGIYRMGAH-UONOGXRCSA-N 300.399 -0.097 30 20 DBED CN(CCNC(=O)[C@H]1CCS(=O)(=O)C1)c1cncc(C#N)n1 1100227267 NWERCVNVEDWCIC-JTQLQIEISA-N 323.378 -0.665 30 20 DBED CCN(CCNC(=O)[C@@]1(C)CNC(=O)C1)c1cncc(C#N)n1 1100671001 MRZDPXCHTDSPIT-OAHLLOKOSA-N 316.365 -0.183 30 20 DBED CC(=O)N[C@H](C)C(=O)NC[C@@H]1CCCN1c1nccnc1C#N 1100776964 WDHGZWHXSRDENA-PWSUYJOCSA-N 316.365 -0.042 30 20 DBED N#CCNC(=O)CNC1CC(CNC(=O)C[C@H]2CCCOC2)C1 1100992619 CTIVEHJFGDKXBC-IYXRBSQSSA-N 322.409 -0.073 30 20 DBED N#Cc1ccc(N(CCNC(=O)[C@H]2CNC(=O)N2)C2CC2)nc1 1101432590 FKNGXNSWMDUILK-GFCCVEGCSA-N 314.349 -0.280 30 20 DBED CN(CCNc1cncc(C#N)n1)C(=O)c1cn(C)c(=O)cn1 1102060393 YBJLERGDTLHYGC-UHFFFAOYSA-N 313.321 -0.374 30 20 DBED CNC(=O)NCC(=O)N(C)[C@H]1CCN(c2cncc(C#N)n2)C1 1102766973 OYVINVQDHDKRKL-NSHDSACASA-N 317.353 -0.686 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)COCCN(C)C 1104623492 CDCXMLQOKDSDDO-LBPRGKRZSA-N 320.397 -0.393 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)c1c[nH]c(=O)cn1 1104798225 CEYHGMDKVVTXMX-VIFPVBQESA-N 313.321 -0.574 30 20 DBED CC#CCNCc1cn(C2CN(C(=O)c3ncn(C)n3)C2)nn1 1105230714 ULUHUUAYNAWKHH-UHFFFAOYSA-N 314.353 -0.783 30 20 DBED CC(=O)NC(C)(C)C(=O)N1CC(n2cc(CNCC#N)nn2)C1 1105343979 GIURRIUFOJNMAS-UHFFFAOYSA-N 319.369 -0.811 30 20 DBED C=C(C)CNCc1cn(C2CN(C(=O)Cn3cncn3)C2)nn1 1105371272 KSZNDDLEUZVUGT-UHFFFAOYSA-N 316.369 -0.381 30 20 DBED CCn1nccc1C(=O)NC[C@@H](O)CNc1cnc(C#N)cn1 1105800564 TXXLROBZHAQVBD-NSHDSACASA-N 315.337 -0.233 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@H](O)CNc1nccc(OC)n1 1105805627 FJEABPZLEHROLL-YGRLFVJLSA-N 310.354 -0.299 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)CN2CCCC2=O)C[C@H]1C 1105812524 GZIUZFGEHSZGGR-HUUCEWRRSA-N 321.421 -0.057 30 20 DBED Cc1nnc(CC(=O)NC[C@@H](O)CNc2ncccc2C#N)o1 1105815473 JSUVDMFPSUXJPD-LLVKDONJSA-N 316.321 -0.224 30 20 DBED Cc1nsc(NC[C@H](O)CNC(=O)c2cnnn2C)c1C#N 1105832503 DSMVJIDWPUEGFA-MRVPVSSYSA-N 321.366 -0.346 30 20 DBED CC[C@H](C(=O)NC[C@H](O)CN=c1cc[nH]cc1C#N)N(C)C 1105926385 UERMGFPBAVLZAS-TZMCWYRMSA-N 305.382 -0.396 30 20 DBED C[C@@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)c1ncn(C)n1 1106316928 LZWDAUAFACVENM-VIFPVBQESA-N 300.326 -0.481 30 20 DBED C[C@H](C#N)C(=O)NC[C@@]1(C)CN(CCn2cncn2)CCO1 1107821197 KXEBSRYOBVWTBP-OCCSQVGLSA-N 306.370 -0.355 30 20 DBED CNS(=O)(=O)CC(=O)N[C@@H](C)CNc1ccc(C#N)nc1 1108388421 JGOZSJXTTJPLDM-VIFPVBQESA-N 311.367 -0.581 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CC(=O)N(C2CN(CC3CC3)C2)C1 1108546235 RJAFCBNUZBZUOW-TZMCWYRMSA-N 319.405 -0.164 30 20 DBED C[C@@H](CN=c1cc[nH]cc1C#N)NC(=O)[C@@H]1CCCNC1=O 1108570333 HLAZNLLKZQSXKL-CMPLNLGQSA-N 301.350 -0.182 30 20 DBED Cn1ncc(C(=O)N[C@H](CN=c2cc[nH]c(C#N)n2)C2CC2)n1 1109872088 YHHACXFXGJQJAL-SNVBAGLBSA-N 312.337 -0.481 30 20 DBED Cc1cc(=NC2(CNC(=O)Cn3cnnn3)CC2)c(C#N)c[nH]1 1110054490 QIQQKBJSXPASSY-UHFFFAOYSA-N 312.337 -0.569 30 20 DBED C[C@]1(CNC(=O)CC(N)=O)CCCN(c2ccnc(C#N)n2)C1 1110920892 YOYNHZFEJGCNFH-OAHLLOKOSA-N 316.365 -0.054 30 20 DBED CCO[C@@H](C)C(=O)NC[C@]1(O)CCN(c2nccnc2C#N)C1 1111029207 FGLJHAOTUIWJGW-XHDPSFHLSA-N 319.365 -0.169 30 20 DBED CC[C@H](OC)C(=O)NC[C@]1(O)CCN(c2cncc(C#N)n2)C1 1111043934 PIRBEWJBKAOIJQ-SWLSCSKDSA-N 319.365 -0.169 30 20 DBED N#Cc1ccc(N2CC[C@](O)(CNC(=O)c3cn[nH]c3)C2)nn1 1111050108 HKZCTXYIGBJAOE-AWEZNQCLSA-N 313.321 -0.557 30 20 DBED C#CCN1C[C@@H]2CCC[C@]2(NC(=O)CNS(=O)(=O)CC)C1 1111768210 VWVVMUVSMFEISA-JSGCOSHPSA-N 313.423 -0.470 30 20 DBED C#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)NS(C)(=O)=O)C1 1111883681 VMVVOHSLLJDPHC-OBJOEFQTSA-N 313.423 -0.472 30 20 DBED C=CCCO[C@H](C)C(=O)N1CCN(CC(=O)NCC#N)CC1 1112676247 HFRGPEOITGASCH-CYBMUJFWSA-N 308.382 -0.248 30 20 DBED N#Cc1c(F)cccc1N1C[C@@H](O)[C@@H](CNC(=O)CC(N)=O)C1 1112723586 YADXMDOUOANNHG-TVQRCGJNSA-N 320.324 -0.514 30 20 DBED Cc1ccnc(N2C[C@H](O)[C@H](CNC(=O)CSCC#N)C2)n1 1112725884 QKVIAHBEZARPOB-NEPJUHHUSA-N 321.406 -0.045 30 20 DBED CO[C@@H]1CC[C@@H](C(=O)N2CCN(CC(=O)NCC#N)CC2)C1 1113046910 OODWVIGFYMFCLL-CHWSQXEVSA-N 308.382 -0.415 30 20 DBED COc1cc(C(=O)N2CCN(CC(=O)NCC#N)CC2)ccn1 1113057492 SSZAFCBJDVSFAH-UHFFFAOYSA-N 317.349 -0.512 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3cc(C)[nH]n3)[C@H]2C1 1113947505 BMRIMGQBLREAFM-YABSGUDNSA-N 301.350 -0.872 30 20 DBED C#CCO[C@H](C)C(=O)NC1[C@@H]2CN(Cc3cn(C)nn3)C[C@@H]12 1114270225 BOLBODNLWRLFIU-RAIGVLPGSA-N 303.366 -0.600 30 20 DBED C=CCCN1C[C@@H]2C(NC(=O)CCS(=O)(=O)NC)[C@H]2C1 1114272972 FAGJNGATOKMAJS-QWRGUYRKSA-N 301.412 -0.452 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)CN(C)C3CCC3)[C@H]2C1 1114412000 OPFJRLZRNSBWLA-HALDLXJZSA-N 318.421 -0.734 30 20 DBED Cc1ncn(C)c1C(=O)NC1[C@H]2CN(CC(=O)NCC#N)C[C@H]12 1114431991 WSEPFPLYRJXCFI-QWRGUYRKSA-N 316.365 -0.972 30 20 DBED CN1CCCC[C@H]1C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1114467306 WKLHPILZPMFKQO-SFDCQRBFSA-N 319.409 -0.843 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)C3(COC)CC3)[C@H]2C1 1114561484 WJOYMGLKDCWRSB-RYUDHWBXSA-N 307.394 -0.238 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)Cn3cncc3C)[C@H]2C1 1114563591 WXXLFODMOBMJCI-STQMWFEESA-N 317.393 -0.460 30 20 DBED COCC#CCN1C[C@@H]2C(NC(=O)c3cc(C(N)=O)c[nH]3)[C@H]2C1 1115018446 SHNRGZVGUNZHNB-RYUDHWBXSA-N 316.361 -0.577 30 20 DBED COC(=O)[C@@H](C)N(C)C(=O)CCN/C(O)=C1\N=CC=CC1=O 1116885473 PQZHYNSQZCNUAJ-TWLKNAOBSA-N 309.322 -0.077 30 20 DBED C=CCC(C)(C)CNC(=O)C(=O)Nc1ncn(CC(=O)NC)n1 1117753853 CZMBCIMSKZXNIG-UHFFFAOYSA-N 322.369 -0.319 30 20 DBED CC(C)O[C@H]1C[C@@H](NC(=O)C(=O)N2CC[C@](O)(CC#N)C2)C1 1118226611 WXZFJGZBDSTWRN-TYNCELHUSA-N 309.366 -0.064 30 20 DBED Cc1ccc(CNC(=O)C(=O)N2CC[C@](O)(CC#N)C2)nc1 1118231247 INKZSSAPGMUDEL-OAHLLOKOSA-N 302.334 -0.117 30 20 DBED C=CCOCCNC(=O)C(=O)N(CC)[C@@H](C)CS(C)(=O)=O 1118444079 ZQIGTFPUTSIXNM-NSHDSACASA-N 320.411 -0.413 30 20 DBED C[C@H](CNC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1)C(=O)O 1119294033 KRPRCARGBPBGBV-MWLCHTKSSA-N 308.338 -0.978 30 20 DBED C#CCNC1(CNC(=O)[C@@H]2CCS(=O)(=O)N2)CCCCC1 1120153017 WUYBLFSXCXDEQH-LBPRGKRZSA-N 313.423 -0.280 30 20 DBED Cc1nnc(CC(=O)NC[C@@H](CO)Nc2ccc(C#N)nc2)o1 1121431869 FLKJIEOFQOCDNI-LBPRGKRZSA-N 316.321 -0.224 30 20 DBED N#Cc1cnc(N[C@@H](CO)CNC(=O)Cn2ccnc2)c(F)c1 1121718897 SBZFFYZFNKIKMU-LLVKDONJSA-N 318.312 -0.122 30 20 DBED C[C@@]1(C(=O)NC[C@@H](CO)N=c2cc[nH]cc2C#N)CCOC1 1121913927 HZLIOSBERZCLIB-SWLSCSKDSA-N 304.350 -0.309 30 20 DBED COCCO[C@H](C)C(=O)NC[C@@H](CO)Nc1ccc(C#N)nc1 1122012666 MPRLJTHCQDAKCG-RISCZKNCSA-N 322.365 -0.106 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)CO[C@H]2CCOC2)nn1 1122068763 GGUSRIPPXPLVRF-NEPJUHHUSA-N 321.337 -0.957 30 20 DBED COCC(C)(C)C(=O)NC[C@@H](CO)Nc1cncc(C#N)n1 1122230025 NRFZCXQIBJYDJB-NSHDSACASA-N 307.354 -0.090 30 20 DBED CNC(=O)CC(=O)N1C[C@@H](N=c2cc[nH]c(C#N)n2)C[C@@H]1C 1123202124 HYVHFOJYYAPZFW-UWVGGRQHSA-N 302.338 -0.692 30 20 DBED COC(=O)NCC(=O)N1C[C@H](N=c2cc[nH]c(C#N)n2)C[C@@H]1C 1123213197 JVROOZDWIIXFAT-VHSXEESVSA-N 318.337 -0.473 30 20 DBED CC(=O)N[C@@H](C)C(=O)N(C)C[C@H](O)CNc1nccnc1C#N 1124059236 DQRCHDAHOZZZPQ-GXSJLCMTSA-N 320.353 -0.896 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)[C@H]1CC1(F)F 1124305161 PEZGIBZPWUOTHX-RKDXNWHRSA-N 311.292 -0.343 30 20 DBED CC(C)[C@@H](F)C(=O)N(C)C[C@H](O)CN=c1cc[nH]c(C#N)n1 1124648040 AOYOGXCDAULTCQ-ZWNOBZJWSA-N 309.345 -0.005 30 20 DBED C#CCNC(=O)CC(=O)NCCN[C@@H](C)C(=O)N1CCCCC1 1125998722 UFQAQOMCYJOXHU-ZDUSSCGKSA-N 322.409 -0.767 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CN2CCC1CC2 1127466667 ZCEFPGMJRWOWEQ-TZMCWYRMSA-N 308.426 -0.275 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)CN(C)C(=O)C(C)C 1128595069 QQHVEWIGODOKAJ-GFCCVEGCSA-N 312.414 -0.503 30 20 DBED CC#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)CC(C)(C)O)C1 1128950007 XXWSMADMKIHWIU-OLZOCXBDSA-N 305.382 -0.196 30 20 DBED CCC(=O)N[C@H](C)C(=O)N1C[C@H](n2ccnn2)[C@H](NCC#N)C1 1129866976 LRXNRQPJNUCBBU-UTUOFQBUSA-N 319.369 -0.942 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)c1c(C)ncn1C 1129959735 KYWJMAOAXHNWTH-UHFFFAOYSA-N 320.397 -0.190 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)C[C@@H]1CCN(C)C1=O 1130041284 HNYOQTJFOKSJIS-RYUDHWBXSA-N 310.398 -0.749 30 20 DBED C#CCN1C[C@@H](F)C[C@@H]1c1n[nH]c(CNC(=O)CNC(C)=O)n1 1131140088 KWLAOSHRWHHWAA-WDEREUQCSA-N 322.344 -0.725 30 20 DBED C[C@H]1CN(C(=O)CCNC(N)=O)C[C@]2(CCN(CC#N)C2)O1 1131697912 STIAATPMIDZGPZ-SMDDNHRTSA-N 309.370 -0.740 30 20 DBED C#CCNC(=O)CN1C[C@H](NC(=O)c2[nH]nnc2C)CC[C@H]1C 1132212457 YURCRCBHLTZUFX-ZYHUDNBSSA-N 318.381 -0.555 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CCCc2nn[nH]c21 1132997783 LOCIHJYJMDYUGI-WDEREUQCSA-N 320.397 -0.379 30 20 DBED CC#CCN[C@@H](C)C[C@@H](C)NC(=O)CN1CCN(C)C(=O)C1 1134787223 JAXIPTJBNYPHAM-UONOGXRCSA-N 308.426 -0.343 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)CCCN(C)C 1135317354 YBQRDCDSWMIQOQ-ZIAGYGMSSA-N 310.442 -0.050 30 20 DBED C=CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)C(=O)NCC1CC1 1135785173 RUEAQRFLYLJLRL-NWDGAFQWSA-N 324.425 -0.312 30 20 DBED C[C@@H](C[C@H](C)NC(=O)CN1C(=O)NC(=O)C1(C)C)NCC#N 1135882813 UHBGLFSNVKDHKS-UWVGGRQHSA-N 309.370 -0.287 30 20 DBED C[C@@H](C(N)=O)N1CCCO[C@@H](CNC(=O)CSCC#N)C1 1149206035 DJXPIHZIABKDTG-QWRGUYRKSA-N 314.411 -0.676 30 20 DBED C=CCCOCC(=O)NCCNCC(=O)Nc1nncs1 1153086059 QCEBEOVWCKUVTC-UHFFFAOYSA-N 313.383 -0.225 30 20 DBED C=CCO[C@H](C)C(=O)NCCNCCCS(=O)(=O)N(C)C 1153149564 YQJYZZNMODQSSG-GFCCVEGCSA-N 321.443 -0.435 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)c1cn(CC)nn1 1156064334 RRYUGNWIBFPWOI-LLVKDONJSA-N 321.385 -0.622 30 20 DBED C#CCN(C)C[C@H]1CCCCN1C(=O)Cn1ccc(O)nc1=O 1158190204 CBVTVUMVOPZYMD-CYBMUJFWSA-N 318.377 -0.105 30 20 DBED CCS(=O)(=O)N[C@@H](C)C(=O)NCCC1(CNCC#N)CC1 1164608219 ATNQHUSQIFFEHI-NSHDSACASA-N 316.427 -0.286 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)NCCCNCc1ncnn1C 1167685436 SEBNZXIYJPLDCR-CYBMUJFWSA-N 322.413 -0.118 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)Cc2nc[nH]n2)C1=O 1170725339 BFOPPISVXIXPBG-LLVKDONJSA-N 306.370 -0.770 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)Cn2ccnc2)C1=O 1177405617 PYUPVZANCFZZEL-CYBMUJFWSA-N 305.382 -0.234 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2cnn(C)c2Cl)C1 1183648590 UTRSFGROTXMLJC-SNVBAGLBSA-N 323.784 -0.373 30 20 DBED C=CCNC(=O)CNC[C@H]1CCN(C(=O)CC(=O)NC)C[C@H]1C 1184242576 XVURALUMZMXMEQ-CHWSQXEVSA-N 324.425 -0.501 30 20 DBED CNC(=O)CC(=O)N1CC[C@@H](CNCC#CCOC)[C@@H](C)C1 1184259889 BICVJQCJUNCIIR-KBPBESRZSA-N 309.410 -0.154 30 20 DBED C=CCNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2C)C1 1184916484 AMTBUCVFCFGTJL-TUAOUCFPSA-N 308.382 -0.155 30 20 DBED CNC(=O)CNC[C@@H]1CN(C(=O)[C@H](C)C#N)CC12CCOCC2 1186309272 FIEIXZHWHAMUJC-CHWSQXEVSA-N 322.409 -0.263 30 20 DBED N#CCNC[C@H]1CN(C(=O)Cc2nc[nH]n2)CC12CCOCC2 1186536190 AIEQZABGBIAUKR-LBPRGKRZSA-N 318.381 -0.284 30 20 DBED CN(CC(=O)NCC#N)[C@H]1CCN(C(=O)c2csc(O)n2)C1 1191849067 KBPJDKMNYOOWID-VIFPVBQESA-N 323.378 -0.365 30 20 DBED C=CCC[C@H](C)N1C[C@@H](O)[C@H](NC(=O)CCNC(=O)NC)C1 1192702685 UMHRTMMYAPQJDB-YNEHKIRRSA-N 312.414 -0.179 30 20 DBED C=C[C@@](C)(CCOC)C(=O)N[C@@H]1CN(Cc2cnon2)C[C@H]1O 1195020110 GCDYZGVVADSANE-NFAWXSAZSA-N 324.381 -0.040 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)Cc2cncn2C)CC1 1197816938 BTRJBHFGHADYJC-UHFFFAOYSA-N 319.409 -0.201 30 20 DBED N#CCNC[C@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)CCCO1 1201041586 DJDAREBJPCCPFP-ZQDZILKHSA-N 323.393 -0.231 30 20 DBED C#CCNC[C@@H]1CN(C(=O)COc2cnn(C)c2)CCCO1 1201251668 CLGXNOXOCCYVFD-CYBMUJFWSA-N 306.366 -0.361 30 20 DBED C=CCCn1cc(C(=O)N2CCCO[C@@H](CNCCO)C2)nn1 1201613104 YAJBQZUILWJKKU-ZDUSSCGKSA-N 323.397 -0.333 30 20 DBED C#CCNC(=O)CC(=O)N1CCC(CNCC#CCOC)CC1 1205050978 ZJLFAPQIOGTMFX-UHFFFAOYSA-N 319.405 -0.396 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[nH]2)C[C@H]1C 1206914662 MVDRHOQYEIKVQZ-HFAKWTLXSA-N 323.397 -0.628 30 20 DBED C=CCNCC1CCN(C(=O)CNC(=O)Cn2cncn2)CC1 1206949204 UMANGDCUYKOWPZ-UHFFFAOYSA-N 320.397 -0.592 30 20 DBED CO[C@@H]1CN([C@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)C#CC1CC1 1212246656 YBDMUQQODNSFPV-FRRDWIJNSA-N 319.361 -0.980 30 20 DBED C#CCCN1C[C@@H](NC(=O)CS(=O)(=O)CCC)[C@H](OC)C1 1213875669 DQXXNVFWCDMZEW-CHWSQXEVSA-N 316.423 -0.350 30 20 DBED C#CCN[C@@H]1CN(C(=O)CCC(=O)NCCCOC)C[C@H]1C 1216323728 KCJXWVKWKOECNT-ZIAGYGMSSA-N 309.410 -0.011 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2occc2C)C1 1219178886 RZYQDGKHTBXPIP-NEPJUHHUSA-N 307.350 -0.335 30 20 DBED C[C@H](c1nncn1C)N1C[C@H](O)[C@H](NC(=O)CSCC#N)C1 1219216702 UKSHANNCLUTPBW-MXWKQRLJSA-N 324.410 -0.706 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(CC2CCCC2)C[C@@H]1O 1219487306 KHRRLFXROZMPES-KGLIPLIRSA-N 307.394 -0.523 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(Cc2cc(C)n(C)n2)C[C@@H]1O 1221139480 ACQUWWHYLJZSKD-CABCVRRESA-N 322.409 -0.017 30 20 DBED C=CCOCC(=O)N[C@@H]1CCCC[C@H]1NCc1nnnn1C 1225355644 FEUMINWJRHTGGY-VXGBXAGGSA-N 308.386 -0.070 30 20 DBED C#CCCN[C@@H]1CCCC[C@H]1NC(=O)CCNS(C)(=O)=O 1226580562 YNTDCKWOWPAASC-CHWSQXEVSA-N 315.439 -0.034 30 20 DBED CCCNC(=O)NC(=O)CN1CCC(NC(=O)[C@H](C)C#N)CC1 1226625499 KYGLGHZSCVJOLM-LLVKDONJSA-N 323.397 -0.038 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)C2(CN(C)C)CC2)CC1 1228889074 RDOWRQYSCSCLEO-UHFFFAOYSA-N 320.437 -0.342 30 20 DBED N#CCNC(=O)CN1CCC(NC(=O)c2ccnnc2)CC1 1229330119 KEUVLAQDDPEQSJ-UHFFFAOYSA-N 302.338 -0.689 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)[C@H](C)OCC=C)CC1 1230406931 HIAKOORTMBDEBI-ZDUSSCGKSA-N 307.394 -0.093 30 20 DBED C=CCN1CCS(=O)(=O)[C@@H](CCNC(=O)c2ncc[nH]2)C1 1230461003 WGYJTAPCPDSDEV-NSHDSACASA-N 312.395 -0.185 30 20 DBED CN(C(=O)NCCN/C(O)=C1/N=CC=CC1=O)C1CC(O)C1 1254793673 MFFGYOHJMIRYET-SEYXRHQNSA-N 308.338 -0.323 30 20 DBED CO[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@](O)(CC#N)C2)C12CCC2 1261473974 VIPCZVJBVHBTOD-LALPHHSUSA-N 321.377 -0.063 30 20 DBED CO[C@@H]1CS(=O)(=O)C[C@@H]1NS(=O)(=O)CCCCC#N 1261580315 NXSQQCLHLFTVSC-VHSXEESVSA-N 310.397 -0.588 30 20 DBED Cc1cc(NC(=O)C(=O)N2CC[C@@H](C(N)=O)C2)nn1CCC#N 1319784261 OZWWGMAJJZLQIS-SNVBAGLBSA-N 318.337 -0.623 30 20 DBED C=CCCC[C@@H](C)NC(=O)C(=O)Nc1ncn(CC(=O)NC)n1 1320007517 KWRQNHMBRWCXKE-SNVBAGLBSA-N 322.369 -0.176 30 20 DBED CON(C)C(=O)C(=O)N1CCN(c2snc(C)c2C#N)CC1 1324748777 NEJUFRRFYACRKL-UHFFFAOYSA-N 323.378 -0.008 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N[C@@H](C)CN(CC)CC)nn1 1325965452 SBUNXKDHLQCDTA-LBPRGKRZSA-N 322.413 -0.073 30 20 DBED C#CCn1cc(CNC(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)cn1 1326328360 GMFWGJIOGJIESH-CYBMUJFWSA-N 324.406 -0.749 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N[C@H](C)c1ncnn1C 1332750425 ZVGTYYGBJGFDDX-GHMZBOCLSA-N 307.354 -0.463 30 20 DBED CC#CCn1nnnc1N1CCC(N2CCCS2(=O)=O)CC1 1334443467 RMLMHROWBFPCFP-UHFFFAOYSA-N 324.410 -0.299 30 20 DBED CN1CCCN(CCCNC[C@@H](O)CN(C)CCC#N)CC1 1335369263 UCWXXQWTVWUNSA-MRXNPFEDSA-N 311.474 -0.190 30 20 DBED C#CCCn1nnnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1335700296 KNBVXJDRWQJXDB-LLVKDONJSA-N 312.399 -0.538 30 20 DBED C=CCn1c([C@@H](O)COC)nnc1N1CCN(C(=O)NC)CC1 1339144868 FHQYJXRJFHDTDZ-NSHDSACASA-N 324.385 -0.395 30 20 DBED C=CCN(CCOC)c1nnnn1CC1(S(C)(=O)=O)CC1 1344080871 JLLOHQMTJIOWTJ-UHFFFAOYSA-N 315.399 -0.111 30 20 DBED CCC[C@@H](C#N)NC(=O)C1CCN(S(=O)(=O)NC)CC1 1345390703 NCZIMIQIIQLROX-NSHDSACASA-N 302.400 -0.029 30 20 DBED C[C@H](NC(=O)C(=O)N[C@@H]1CC[C@H](C#N)C1)[C@@H]1CN(C)CCO1 1349029005 AOSLPHDFXUTDDF-RVMXOQNASA-N 308.382 -0.370 30 20 DBED C=CC1CCN(c2nnnn2CCS(=O)(=O)N(C)C)CC1 1352292215 CCGJPJPAJULIII-UHFFFAOYSA-N 314.415 -0.033 30 20 DBED CC[C@@H](CNS(C)(=O)=O)NC(=O)[C@H](C)n1cnc(C#N)n1 1361559631 ICMUQILWJWBMLU-IUCAKERBSA-N 314.371 -0.845 30 20 DBED C[C@@H](Cn1cccn1)NC(=O)Cn1cc(C#N)c(O)nc1=O 1362092078 SHIYRKZHQVEXSH-VIFPVBQESA-N 302.294 -0.778 30 20 DBED N#Cc1cn(CCC(=O)NC[C@H]2CCC[C@H](O)C2)c(=O)nc1O 1362179076 HAVRZUJRAWGCLB-JQWIXIFHSA-N 320.349 -0.122 30 20 DBED N#Cc1cn(CC(=O)N2CCC3(CCO3)CC2)c(=O)nc1O 1362589420 JACAFTMRWWSBMT-UHFFFAOYSA-N 304.306 -0.398 30 20 DBED N#Cc1ccc(CNC(=O)N2CCN(CC(N)=O)C(=O)C2)cc1 1364217059 PJJRWMNEYRWVKR-UHFFFAOYSA-N 315.333 -0.603 30 20 DBED N#Cc1cn(CC(=O)NCC(=O)C2CCCC2)c(=O)nc1O 1364441309 YKTQZBKSTSWTBS-UHFFFAOYSA-N 304.306 -0.304 30 20 DBED COCC(=O)N(C)CC(=O)NC[C@H]1C[C@@H](NC(=O)[C@H](C)C#N)C1 1371674618 UVSHQMZMSJHMSJ-UTUOFQBUSA-N 324.381 -0.738 30 20 DBED CC(=O)NCC(=O)N[C@H]1[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@@H]21 1372692434 NPPXQRDPTXHYEK-IMRBUKKESA-N 315.333 -0.791 30 20 DBED C[C@@H](CNC(=O)CNC(=O)C1CC1)NC(=O)c1ccc(C#N)[nH]1 1372780260 FHENLGVXMMXFMQ-VIFPVBQESA-N 317.349 -0.353 30 20 DBED C[C@H](C#N)C(=O)NCC1CN(CC(=O)NC(=O)NC2CC2)C1 1373500871 BIXVWEDYIUJMTB-SECBINFHSA-N 307.354 -0.818 30 20 DBED C[C@@H](C#N)C(=O)NC1CN(C(=O)[C@H]2CCc3nnnn3CC2)C1 1374750765 OXYMJBMGNAAJBP-UWVGGRQHSA-N 317.353 -0.888 30 20 DBED C=C(Cl)CN[C@H](CC)CNC(=O)Cn1ncn(C)c1=O 1378269087 PHGFSSFVAMCXEJ-SNVBAGLBSA-N 301.778 -0.181 30 20 DBED C=C(Cl)CNC[C@H](O)CNC(=O)c1cc(=O)n(C)cn1 1379205306 MFWWWEAVDVAOAO-VIFPVBQESA-N 300.746 -0.787 30 20 DBED COCCN(CCNC(=O)[C@@H](C)NC(C)=O)C(=O)[C@H](C)C#N 1383298100 WENSAOUREGUYSH-GHMZBOCLSA-N 312.370 -0.738 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCNC(=O)C1)NC(=O)c1cc(C#N)c[nH]1 1400158072 KUSWUXLTGPDGFS-ONGXEEELSA-N 317.349 -0.353 30 20 DBED CN(C[C@@H](O)CNCc1csnn1)C(=O)c1cc(C#N)c[nH]1 1403815108 AMSOIHRANIKIEN-NSHDSACASA-N 320.378 -0.039 30 20 DBED CC(=O)NCC(=O)N1CCC(NC(=O)c2c[nH]c(C#N)c2)CC1 1407270014 ZYEPMPVXGMFLPG-UHFFFAOYSA-N 317.349 -0.257 30 20 DBED Cn1cc(S(=O)(=O)N2CCC[C@](C)(C#N)C2)c(O)nc1=O 1413324814 VIWCJRLLBNFKAS-GFCCVEGCSA-N 312.351 -0.200 30 20 DBED COCCN(CCNC(=O)[C@@H](C)C#N)C(=O)[C@H]1CCC(=O)NC1 1413513384 FKTNLJRSUGZCNK-RYUDHWBXSA-N 324.381 -0.737 30 20 DBED C[C@@H]1CCCN(CCNC(=O)Cn2cc(C#N)c(O)nc2=O)C1 1417610987 JJJLUSZDMREPCJ-LLVKDONJSA-N 319.365 -0.331 30 20 DBED C[C@H](CNC(=O)c1cnnn1C)N(C)C(=O)c1c[nH]c(C#N)c1 1424119873 ORZGLSJXJPIVGI-SECBINFHSA-N 315.337 -0.095 30 20 DBED Cc1ncc(C(=O)N2CCN(CCNC(=O)[C@H](C)C#N)CC2)[nH]1 1427700562 CDKSEWPFICHCOK-LLVKDONJSA-N 318.381 -0.248 30 20 DBED COCCN(CCNC(=O)c1cnn(C)n1)C(=O)[C@H](C)C#N 1428413431 ZXYWCYCGMAUJNC-SNVBAGLBSA-N 308.342 -0.820 30 20 DBED C[C@H](C[C@H]1CCOC1)NC(=O)Cn1cc(C#N)c(O)nc1=O 1433808380 QYWZNCPBVCBEQT-NXEZZACHSA-N 306.322 -0.248 30 20 DBED C[C@@H](C#N)C(=O)NC1CCC(N(C)C(=O)Cn2cnnn2)CC1 1486737104 RBEBAJGXNKFMCL-UNXYVOJBSA-N 319.369 -0.281 30 20 DBED CCN(CCNC(=O)[C@H](C)NC(C)=O)C(=O)c1cc(C#N)c[nH]1 1496645392 IIIVCOPOCVPYGN-JTQLQIEISA-N 319.365 -0.011 30 20 DBED C[C@H](CN[C@H](C)c1nnnn1C)NC(=O)c1cc(C#N)c[nH]1 1497802937 QGGULDGXWZPMCP-RKDXNWHRSA-N 302.342 -0.121 30 20 DBED C#CCNC(=O)CNC[C@H]1CCCCN1C(=O)[C@H]1COCCO1 1501861097 ISTDNLIHDURGKC-ZIAGYGMSSA-N 323.393 -0.878 30 20 DBED CC(C)[C@@H](C(=O)NC[C@H](C)N(C)CC(=O)NCC#N)N(C)C 1505939267 DLXCRANXYJUSFE-JSGCOSHPSA-N 311.430 -0.351 30 20 DBED CC(=O)NCC(=O)NC[C@H](NC(=O)c1ccc(C#N)[nH]1)C1CC1 1524325765 KSSCJQKZSLADLL-ZDUSSCGKSA-N 317.349 -0.353 30 20 DBED C=CCN1CC[C@@H](N2CC[C@H](NC(=O)CNC(=O)O)[C@H]2C)C1=O 1573368077 HSTZUKFZTUSMEW-GRYCIOLGSA-N 324.381 -0.380 30 20 DBED CC#CC[C@H](N)C(=O)NCC1CCN(S(=O)(=O)CC)CC1 1574971811 IYUWWVODWCRSTH-ZDUSSCGKSA-N 315.439 -0.095 30 20 DBED O=C(C#CC1CC1)N1CCOC2(CN(CCc3cnn[nH]3)C2)C1 1577746431 YVHSRCKNSYBYBL-UHFFFAOYSA-N 315.377 -0.326 30 20 DBED CCN1CCCN(c2cnc(C#N)c(-c3nn[nH]n3)n2)CC1=O 1578221026 IFJKNBIUNZOXTA-UHFFFAOYSA-N 313.325 -0.413 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(c2ccnc(C(=O)O)n2)C[C@H]1O 1588440548 ZQNULAVKHUNDCO-GHMZBOCLSA-N 318.333 -0.356 30 20 DBED C#CCN1CCC(C(=O)N[C@H](CCC(=O)OC)C(=O)O)CC1 1588471437 NXTHLEIZPVXUNA-GFCCVEGCSA-N 310.350 -0.146 30 20 DBED CC(C)[C@H](C(=O)O)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1588803894 KYKOVWATHOTODK-OUJBWJOFSA-N 314.363 -0.260 30 20 DBED CC#CCN1CCN(CCCNC(=O)[C@@H]2C[C@@H]2C(=O)O)CC1 1588931126 LPHVKZJNSXPNAD-KGLIPLIRSA-N 307.394 -0.146 30 20 DBED COC(=O)c1occc1Cn1c(N)nc(C#N)c1-c1nn[nH]n1 1591308539 JJFIKVNNISCAJX-UHFFFAOYSA-N 314.265 -0.055 30 20 DBED N#Cc1cncc(CNC(=O)[C@H]2CCCN(CC(=O)O)C2=O)c1 1594632823 DIWOJTLQBWVNIL-GFCCVEGCSA-N 316.317 -0.107 30 20 DBED N#CC1(C[C@H](O)CN2CCC[C@@H](O)[C@@H]2C(=O)O)CCOCC1 1601054183 GXKWRMDBNJSOJU-YNEHKIRRSA-N 312.366 -0.032 30 20 DBED N#Cc1ccc(CN2C[C@@H](N3C(=O)CNC3=O)C[C@H]2C(=O)O)o1 1601100486 NHKQZRNYESCVFC-KWQFWETISA-N 318.289 -0.269 30 20 DBED C#CCN(CC#C)Cc1cc(O)n2ncc(-c3nn[nH]n3)c2n1 1602720285 SGRKQZRXNKBTHK-UHFFFAOYSA-N 308.305 -0.317 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)CCCCC(=O)O)CC1 1602724908 KJPUDJZCDVTPED-UHFFFAOYSA-N 323.393 -0.085 30 20 DBED COC[C@]1(C(=O)O)CCCN1S(=O)(=O)N(C)C[C@@H](C)C#N 1606834023 GLLNGWSRKZOSOM-JQWIXIFHSA-N 319.383 -0.112 30 20 DBED CCn1cc(-c2nn[nH]n2)c(=O)n(C[C@H](C#N)CCC#N)c1=O 1609258014 OHRLTEYDMSVJBD-VIFPVBQESA-N 314.309 -0.346 30 20 DBED CC(C)CCC(=O)NCC(=O)NCCN1CCN(CC#N)CC1 1752374642 MFVCUAGTGSBPIG-UHFFFAOYSA-N 323.441 -0.204 30 20 DBED C=CCCO[C@@H](C)C(=O)N[C@H]1C[C@@H](NCC(=O)NC(N)=O)C1 1752715373 VZCHLGKTLDEEJR-GARJFASQSA-N 312.370 -0.601 30 20 DBED C=CCCNC[C@H]1CCN(C(=O)[C@H](C)NS(C)(=O)=O)C1 1752952678 DQFABMFMWRRIDO-NWDGAFQWSA-N 303.428 -0.062 30 20 DBED CCO[C@@H](C)C(=O)N1CCC[C@H](N(C)CC(=O)NCC#N)C1 1752987247 NXXQTVVDVNDAIB-STQMWFEESA-N 310.398 -0.026 30 20 DBED CNC(=O)NC(=O)CN(C)[C@@H]1CCCN(C(=O)C#CC2CC2)C1 1752991292 OSBBCBZFZAQESI-CYBMUJFWSA-N 320.393 -0.222 30 20 DBED C[C@@H]1C[C@@H](C(=O)NCCN(CC(=O)NCC#N)C2CC2)CO1 1753155854 RYXOGMOLKMBYEK-VXGBXAGGSA-N 308.382 -0.368 30 20 DBED N#CCNC(=O)CN1CC(CNC(=O)C[C@@H]2CCCCO2)C1 1753399263 CZHIIUNSSSDDLY-ZDUSSCGKSA-N 308.382 -0.367 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C[C@H]1CN2C(=O)Cn1ccnc1C 1753428083 VSFQTVKTVCSJNP-KBPBESRZSA-N 315.377 -0.774 30 20 DBED CCN(C(=O)CC1(O)CCC1)[C@H]1CCN(CC(=O)NCC#N)C1 1753455955 OWZCIUUTJUALMV-ZDUSSCGKSA-N 322.409 -0.146 30 20 DBED C=CCNC(=O)CNC[C@@H](C)CNC(=O)[C@@H]1CCNC(=O)C1 1753610510 UAEZCSVCRVOAFP-VXGBXAGGSA-N 310.398 -0.843 30 20 DBED CC#CCN[C@H](CNC(=O)CCc1nnc(O)nc1O)C(C)C 1753833336 BQYFDQMEUWZCHO-GFCCVEGCSA-N 321.381 -0.031 30 20 DBED O=C(CC#Cc1ccccc1)NC[C@@H](O)CN[C@@H]1CCNC1=O 1753937538 PEGMTQFUUJQUHA-LSDHHAIUSA-N 315.373 -0.617 30 20 DBED C#CCNC(=O)[C@H](C)NCC[C@H](C)NC(=O)Cc1ccon1 1753951879 LEVDTCZKEDPWAJ-RYUDHWBXSA-N 306.366 -0.161 30 20 DBED C#CCNC(=O)CNCCN(CC)C(=O)c1snnc1CC 1754056111 PVIJBTCCMIQSCG-UHFFFAOYSA-N 323.422 -0.098 30 20 DBED C[C@H](C#N)C(=O)N(C)C1CN(CCN2C(=O)NC(C)(C)C2=O)C1 1754572447 DLZIMJZGZZTXLN-SNVBAGLBSA-N 321.381 -0.381 30 20 DBED C#CCNC[C@H](NC(=O)CC[C@@H]1NC(=O)NC1=O)C1CCCC1 1754655955 IBPNUTXGYRQVHR-STQMWFEESA-N 320.393 -0.128 30 20 DBED C#CCNC[C@@]1(C)CCN(C(=O)CN(C)CC(=O)NC(C)C)C1 1754699834 OAQLDXZCUHBNJX-QGZVFWFLSA-N 322.453 -0.096 30 20 DBED C#CCNC(=O)CNC1(CNC(=O)C#CC(C)C)CCOCC1 1754736574 RCTIRGWIQUMNTI-UHFFFAOYSA-N 319.405 -0.350 30 20 DBED C#CCN1CC[C@@](O)(CNC(=O)C(=O)Nc2ccccc2)C1 1754752260 DXERFECWMUCUMX-MRXNPFEDSA-N 301.346 -0.189 30 20 DBED C=CCN[C@H](C)[C@H]1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)C1 1754795683 RNZLANHGKKNCGI-OLZOCXBDSA-N 320.393 -0.440 30 20 DBED C=CCN1CCC[C@](CO)(NC(=O)c2cccn3nnnc23)C1 1754857050 YGFFXPOOVWLXPN-HNNXBMFYSA-N 316.365 -0.133 30 20 DBED CC#CCNC[C@H]1CN(C(=O)c2ccn(CCOC)n2)CCO1 1755004533 CYWBNQAOIIQKQM-AWEZNQCLSA-N 320.393 -0.017 30 20 DBED C#Cc1ccc(C(=O)N2CCO[C@H](CN[C@@H](C)C(N)=O)C2)cc1 1755006786 GQSCHEZCPVBPNE-SWLSCSKDSA-N 315.373 -0.028 30 20 DBED COCC#CCN(C)CCCN(C)C(=O)c1cc(=O)n(C)cn1 1755039409 QOHXDGUSRAHPDF-UHFFFAOYSA-N 320.393 -0.176 30 20 DBED C#CCNC(=O)[C@H](C)N1CC2(CN(C(=O)[C@@H](C)OC)CCO2)C1 1755048737 HRPWDOVCEVQFEB-QWHCGFSZSA-N 323.393 -0.928 30 20 DBED C#CCCN[C@]1(CO)CCCN(C(=O)C[C@H]2CCC(=O)NC2)C1 1755082858 FAYOIXYHSQHKMW-RHSMWYFYSA-N 321.421 -0.131 30 20 DBED C=CCNC(=O)CN(C)C[C@@H]1CCCN1C(=O)CNC(=O)CC 1755190069 WJEQMRXYMNIJLB-ZDUSSCGKSA-N 324.425 -0.262 30 20 DBED C=CCNC(=O)CN[C@@H](C)[C@H](C)NC(=O)c1cnc(OC)nc1 1755264414 WVOSWPOFQHCZDE-QWRGUYRKSA-N 321.381 -0.116 30 20 DBED C#CCNC(=O)[C@H](C)N1CC([C@H](C)NC(=O)CC(C)(C)O)C1 1755374314 QLPQYSREQKCJME-RYUDHWBXSA-N 309.410 -0.278 30 20 DBED C[C@H](NC(=O)COC(C)(C)C)C1CN(CC(=O)NCC#N)C1 1755375195 VMIYWELNKBUKMT-NSHDSACASA-N 310.398 -0.122 30 20 DBED C#CCN1C[C@H](NC(=O)CCn2ncn(C)c2=O)C(C)(C)C1 1755410309 OPVQHFVUTZMQIK-LBPRGKRZSA-N 305.382 -0.568 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H](CO)CNC(=O)C(C)(C)C(F)F 1755637487 AWCYQSZBYJZHSS-NXEZZACHSA-N 319.352 -0.518 30 20 DBED C=CCN1CC[C@@H](NC[C@@H](O)CN(C)C(=O)c2cnco2)C1=O 1755784096 GUGHKAVRIVHZTJ-VXGBXAGGSA-N 322.365 -0.516 30 20 DBED C#CCCCC(=O)NCC1CC(NC(=O)CCNC(N)=O)C1 1755934850 STCYCEOGNUWGQK-UHFFFAOYSA-N 308.382 -0.141 30 20 DBED C#CCOCCC(=O)N[C@@H](C)C1CN(C(=O)CNC(=O)CC)C1 1756141698 HMQYPVGMLRBRBJ-LBPRGKRZSA-N 323.393 -0.484 30 20 DBED Cc1cc(C(=O)N[C@@H]2CN(C(=O)C#CC(C)C)C[C@H]2O)no1 1756977110 RDSVSBCHZCBUKM-CHWSQXEVSA-N 305.334 -0.056 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]1O 1757171381 PZMAVCHUELSWIC-KGLIPLIRSA-N 309.410 -0.326 30 20 DBED CC(C)C#CC(=O)N1CC[C@H]1CN(C)C(=O)[C@@H]1CNC(=O)N1 1757301498 FEVAFKUZVOMIEV-RYUDHWBXSA-N 306.366 -0.614 30 20 DBED C[C@H](OC(=O)Cn1cc([C@@H](C)O)nn1)C(=O)N(C)CCC#N 1771643384 UTBXKPLSXOXTMM-ZJUUUORDSA-N 309.326 -0.365 30 20 DBED C=CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CCC(=O)N1)CCO2 1783914200 LUEOOIXQTNBRNF-WBMJQRKESA-N 321.377 -0.329 30 20 DBED CC1(C(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)COC1 1841132400 INIYCBDUASSUDS-UHFFFAOYSA-N 306.318 -0.686 30 20 DBED O=C(O)C#CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CCCCO1 1847315899 PNVKDVLDOPOZBP-RWMBFGLXSA-N 320.345 -0.155 30 20 DBED C=CCNC(=O)[C@@H](C)OC(=O)CN1C(=O)N[C@](C)(CC)C1=O 24078873 BTKLZYQMAFWMNS-YMTOWFKASA-N 311.338 -0.059 30 20 DBED N#Cc1cccc(S(=O)(=O)N2CCS(=O)(=O)CC2)c1 36162927 KNYQXKHIHJOBBT-UHFFFAOYSA-N 300.361 -0.023 30 20 DBED COc1cc(C#N)ccc1OCC(=O)N1CCO[C@@H](C(N)=O)C1 50856458 HTUWWEAQLWYNRG-CYBMUJFWSA-N 319.317 -0.342 30 20 DBED COCCNC(=O)CN1CCN(c2ncccc2C#N)CC1 70792209 RINCXNNKFYDEBO-UHFFFAOYSA-N 303.366 -0.162 30 20 DBED CC/N=C(/NCCNS(C)(=O)=O)N1CC[C@@]2(CCOC2)C1 179196421 PDGZWGFUJJIUGG-CYBMUJFWSA-N 318.443 -0.387 30 20 DBED C/N=C(/NCCN1C(=O)CNC1=O)N[C@@H]1C[C@H](OC)C1(C)C 261704584 JNFQDVZITVXUTB-ZJUUUORDSA-N 311.386 -0.483 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)C(=O)C(C)(C)C)CC1 265870638 GRGWAWGSEJVZCZ-UHFFFAOYSA-N 307.394 -0.115 30 20 DBED COC(=O)c1coc(S(=O)(=O)N2CCOC[C@@H]2C#N)c1 269997708 IEJHJMCAFWGPQQ-VIFPVBQESA-N 300.292 -0.021 30 20 DBED C=CCCOCCNC(=O)c1cc(S(N)(=O)=O)cn1C 270507609 RFITWMURLNHDIW-UHFFFAOYSA-N 301.368 -0.005 30 20 DBED C#CCNC(=O)CCN1CCC(C(=O)NCC(=O)OCC)CC1 293838858 QKOCNLMHTPMYSO-UHFFFAOYSA-N 323.393 -0.483 30 20 DBED C[C@H]1COCCN1CC/N=C(/O)CN1CCCS1(=O)=O 329080138 CLDBBHTZUAPVME-NSHDSACASA-N 305.400 -0.301 30 20 DBED C[C@@H]1CN(/C(O)=N/[C@@H]2CC(=O)N(C)C2)C[C@@H]1N1CCOCC1 330114218 DPQUEULYMVNILE-UPJWGTAASA-N 310.398 -0.216 30 20 DBED COCCN(CC(=O)N(C)C)S(=O)(=O)N(C)C[C@@H](C)C#N 336912289 JDKZBIDAJGUUDD-NSHDSACASA-N 320.415 -0.641 30 20 DBED COC(=O)[C@H]1CN(C(=O)C(=O)Nc2sccc2C#N)CCO1 339999409 SAMDUEILNOKFAB-SECBINFHSA-N 323.330 -0.041 30 20 DBED C=CCN1CCC(NC(=O)C(=O)N2C[C@@H]3CC[C@@H](O)[C@H]3C2)CC1 343770505 USLUDSZXDHPRER-AEGPPILISA-N 321.421 -0.018 30 20 DBED COC(=O)C[C@H](C)NC(=O)C(=O)Nc1nn(C(C)C)cc1C#N 344527403 FPCACXNMTKWXOI-VIFPVBQESA-N 321.337 0.342 30 20 DBED C[C@@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CCCC1 349576618 RPZVEUQSWJRISD-NSHDSACASA-N 323.440 -0.024 30 20 DBED C#CCNC(=O)C1CCN(C(=O)NCC(=O)NCCC)CC1 491156335 ZIFIIBYBMXIOCZ-UHFFFAOYSA-N 308.382 -0.316 30 20 DBED C#CCN1CCN(C(=O)CN2CC[C@H](OC(=O)N(C)C)C2)CC1 491705315 VDDRXVLFCDEJNH-AWEZNQCLSA-N 322.409 -0.464 30 20 DBED C=CCN1CC[C@H](N2CCCN(C(=O)CNC(C)=O)CC2)C1=O 528733556 BKYYUTMLCHMROM-AWEZNQCLSA-N 322.409 -0.556 30 20 DBED N#Cc1cc(Cl)ccc1S(=O)(=O)N[C@H](CO)C(=O)O 548201792 UBWCLMATZUJHAE-MRVPVSSYSA-N 304.711 -0.065 30 20 DBED CC[C@@H](N)CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 566738912 FOWDJCOYKBNWAS-LLVKDONJSA-N 310.379 -0.310 30 20 DBED C[C@H]1CN(c2c(C#N)c(=O)n(C)c(=O)n2C)C[C@@H](C)[S@]1=O 581523221 LCWSABQLSWUCIQ-APJWKNSMSA-N 310.379 -0.699 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)NC[C@@](C)(CO)CC(=O)O 593270368 JGGRNQOJCDLSPO-KOLCDFICSA-N 307.372 -0.614 30 20 DBED N#C[C@@H]1CN(C(=O)CNS(=O)(=O)c2ccccc2N)CCO1 597170309 MZHHGCNQSSCUQW-SNVBAGLBSA-N 324.362 -0.702 30 20 DBED N#Cc1ccc(NCC(=O)N2CCN([C@@H]3CCOC3)CC2)nc1 598151017 NAYGFTMDRFPGGS-CQSZACIVSA-N 315.377 0.298 30 20 DBED N#Cc1cc(NC(=O)C(=O)NCCN2CC[C@@H](O)C2)ccc1F 600070002 CCQNPUUAHPVXOO-GFCCVEGCSA-N 320.324 -0.181 30 20 DBED COCCN(CCC#N)CC(=O)N1CCC[C@H](NC(C)=O)C1 610391731 LOGUKWYWBRBHQL-AWEZNQCLSA-N 310.398 -0.024 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN(C(=O)COC)CC1 666582408 GECGUKLFZDEZAK-CYBMUJFWSA-N 311.382 -0.226 30 20 DBED N#Cc1nccnc1NCCCc1[nH]nc(N)c1-c1nn[nH]n1 737730837 MXIMQJXNGPITLP-UHFFFAOYSA-N 311.313 -0.122 30 20 DBED NC(=O)CNC(=S)NN=Cc1ccc(-c2nn[nH]n2)cc1 737753199 NTLUPXKJCNPFJG-UHFFFAOYSA-N 304.339 -0.850 30 20 DBED C#CCCN1CCC(NC(=O)CCNS(C)(=O)=O)CC1 740737166 ZNAMAWDXNXZOSB-UHFFFAOYSA-N 301.412 -0.470 30 20 DBED C#CCOCCC(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1 756754358 RGOZJOHHPKVHKY-UHFFFAOYSA-N 316.361 -0.131 30 20 DBED C#C[C@H](NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1)[C@@H]1CCCO1 775339044 FHXXIQYMJZWENG-IHRRRGAJSA-N 307.394 -0.307 30 20 DBED N#Cc1cnn2c(O)cc(COC(=O)[C@@H]3CNC(=O)N3)nc12 783611281 DOVJZQDDANACRS-QMMMGPOBSA-N 302.250 -0.969 30 20 DBED C#CCOCCNC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C 784606726 LOHFPACCRCQMRZ-UHFFFAOYSA-N 316.317 -0.988 30 20 DBED COC(=O)[C@]1(F)CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)C1 800072899 YWJRFWBJAAYRLH-KOLCDFICSA-N 321.330 -0.957 30 20 DBED C#CCCS(=O)(=O)N[C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O 808298904 BJTPEEAOAKTNIE-ZYHUDNBSSA-N 310.379 -0.143 30 20 DBED C#CCNC(=O)[C@@H](C)OC(=O)c1c(Br)nnn1C 811453341 TZOUMABQZCGOEO-ZCFIWIBFSA-N 315.127 -0.128 30 20 DBED C#CCN(CC#CC)S(=O)(=O)c1ccc(-c2nn[nH]n2)nc1 819698077 RODYCHIRQMJZCC-UHFFFAOYSA-N 316.346 -0.091 30 20 DBED C=CCNC(=O)CNC(=O)COc1ccccc1-c1nn[nH]n1 823920112 XESCTXYXSMRNFM-UHFFFAOYSA-N 316.321 -0.336 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)Cc2nnc(C)s2)CC1 825967319 HHIOXAOKBVEVTM-UHFFFAOYSA-N 321.406 -0.717 30 20 DBED N#Cc1ccc(CNC(=O)N2CC(N3CC[C@@H](O)C3)C2)nc1 826957498 XVACMYWIWGEIOJ-CQSZACIVSA-N 301.350 -0.086 30 20 DBED CC[C@H](CNS(=O)(=O)N(CCC#N)CCOC)C(=O)O 844786636 QHCDKKPQPSJXOY-SNVBAGLBSA-N 307.372 -0.206 30 20 DBED O=C(N[C@H]1CCCN(O)C1=O)c1ccc(-n2ccnc2)nn1 848138442 MYXWZXRYNFUJKP-JTQLQIEISA-N 302.294 -0.228 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N1CC[C@@H](N2CCOC2=O)C1 849437414 GQWVZXKJJBSUIM-GHMZBOCLSA-N 316.383 -0.008 30 20 DBED C#CCNS(=O)(=O)N1CCN(Cc2cc(C)nn2C)CC1 851872494 FHWBQDHWJFUEOA-UHFFFAOYSA-N 311.411 -0.686 30 20 DBED C#CC[C@H](CO)NC(=O)[C@H]1CC(=O)N(C[C@H]2CCCN2CC)C1 854545697 OFTAVAMKPNGTAU-RRFJBIMHSA-N 321.421 -0.180 30 20 DBED CS(=O)(=O)N=S1(=O)CCN(C(=O)C#CC2CC2)CC1 854590202 QEWBZQTYBPACFR-UHFFFAOYSA-N 304.393 -0.330 30 20 DBED C#CCONC(=O)c1ccc(S(=O)(=O)N(C)CCO)cc1 855607171 XQLVDUDEMPQDMU-UHFFFAOYSA-N 312.347 -0.406 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N(CC)CCC(=O)NC 894125734 WWFHWXPOEPCBJZ-UHFFFAOYSA-N 305.400 -0.245 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)c2cncc(C(N)=O)c2)C1 937995750 QUNAEZFSJKAXSS-CABZTGNLSA-N 315.333 -0.329 30 20 DBED C=C1CC(C)(C(=O)N2C[C@@H](NC(=O)[C@@H]3CNC(=O)N3)[C@H](C)C2)C1 939661857 AIPXFRBRDJOFDI-GRYCIOLGSA-N 320.393 -0.013 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCN(C(=O)[C@H]3CCCO3)C2)nn1 940504946 MGCWSUNXFQPHLT-DGCLKSJQSA-N 319.365 -0.026 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](NC(=O)c2cc3n(n2)CCO3)C1 941092955 WHNQJVFYXGBWJS-NXEZZACHSA-N 303.322 -0.234 30 20 DBED C[C@@H]1CCCN(C(=O)C(N)=O)[C@@H]1CNC(=O)c1c[nH]c(C#N)c1 945804245 YGCNNKZMSGIGCM-BXKDBHETSA-N 317.349 -0.271 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]1CNC(=O)c1ccn(C)c(=O)c1 950953038 UPJWELPKALGSBW-PWSUYJOCSA-N 302.334 -0.124 30 20 DBED CC#CCN1C[C@H](O)[C@H](CNC(=O)c2ccc(=O)n(C)c2)C1 958202390 DXMRWOMXYCHIGJ-KGLIPLIRSA-N 303.362 -0.569 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cnc(O)cc2OC)C1 958409784 WRRZTUZNEYNAEA-CMPLNLGQSA-N 305.334 -0.549 30 20 DBED COc1cc(O)ncc1C(=O)NC[C@@H]1CN(CC#N)C[C@H]1O 958413745 UDAZKTRHRYUUPO-MWLCHTKSSA-N 306.322 -0.658 30 20 DBED CN(C)c1ccncc1C(=O)NC[C@H]1CN(CC#N)C[C@@H]1O 958597146 BNHQTITYKBTNQA-FZMZJTMJSA-N 303.366 -0.306 30 20 DBED Cn1cnnc1CN1C[C@@H]2C(NC(=O)c3ccc(C#N)[nH]3)[C@H]2C1 958601717 IXWOVPHFKWUDAT-QWRGUYRKSA-N 311.349 -0.125 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(C)n2)C1 958892317 KPGSCNZPRBFHSG-RYUDHWBXSA-N 321.381 -0.329 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1NC(=O)Cc1nc[nH]n1 966406318 DMHHNENOJICCEH-PWSUYJOCSA-N 301.350 -0.276 30 20 DBED CC#CCN1CC[C@@H](C)[C@H](NC(=O)CN2C(=O)CCC2=O)C1 968631978 LHDJPPCCBJTFSE-CHWSQXEVSA-N 305.378 -0.015 30 20 DBED CN(CC(=O)N1CCOCC1)[C@H]1CCN(C(=O)C#CC2CC2)C1 971509863 WEWIZVYYPPFJBV-HNNXBMFYSA-N 319.405 -0.209 30 20 DBED C=CCn1cc(C(=O)N2CC[C@@H](N(C)[C@H]3CCNC3=O)C2)nn1 972502444 WIZJBAKMIJHVTK-YPMHNXCESA-N 318.381 -0.501 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]2CCN(C(=O)Cn3cnnn3)[C@H]2C1 975967999 LQXLLZCGQOEGBV-SRVKXCTJSA-N 317.353 -0.718 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCC[C@@H](NCC(N)=O)C2)nn1 981375908 ZBNFCWNQCNZEHU-GHMZBOCLSA-N 306.370 -0.420 30 20 DBED C#Cc1ccc(C(=O)N2CC(NC(=O)[C@H]3COCCO3)C2)nc1 990280987 DCANECCDLUSCES-CQSZACIVSA-N 315.329 -0.581 30 20 DBED C#CCN1CCC(C(=O)N2CC[C@@H](NC(=O)CC)[C@H](O)C2)CC1 991141994 WVUOSTBJUAAHMM-HUUCEWRRSA-N 321.421 -0.180 30 20 DBED O=C(Cc1cnc[nH]1)N[C@H]1CCN(C(=O)C#CC2CC2)C[C@H]1O 991801800 CMCFWCSNWDERHF-UONOGXRCSA-N 316.361 -0.556 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NC1CN(C(=O)c2cn(C)nn2)C1 992060729 FUNAIBQCHQYNBG-YPMHNXCESA-N 319.365 -0.263 30 20 DBED C=C[C@](C)(CC)C(=O)N1CC(NC(=O)CN2CCOCC2=O)C1 994213348 FIFLHTVDENUTDB-MRXNPFEDSA-N 323.393 -0.226 30 20 DBED C#CCN1CCC[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)[C@H]1C 994216476 VPAAXJJZMJVJDH-MNOVXSKESA-N 314.349 -0.367 30 20 DBED N#CCN[C@H]1CCCN(C(=O)[C@@H]2CCc3nnnn3CC2)C1 1000251766 RXLWTNUGQGRPIJ-NEPJUHHUSA-N 303.370 -0.270 30 20 DBED CO[C@@H](C)C(=O)N1CCNC(=O)CCN(C(=O)[C@@H](C)C#N)CC1 1001777500 PXBALAJVUZTVKW-RYUDHWBXSA-N 324.381 -0.642 30 20 DBED CC#CCN1CCC(NC(=O)CN2CCC(=O)NC2=O)CC1 1003915321 WTGMBULFGMZHSN-UHFFFAOYSA-N 306.366 -0.468 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2C[C@H](C)N(C(=O)CC(N)=O)C2)nn1 1012411603 HTWOBSQQHUIVIK-VHSXEESVSA-N 320.353 -0.941 30 20 DBED C=CCCN1CC[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)C1 1015991801 IBIZGOTVHZTXCP-SNVBAGLBSA-N 302.338 -0.202 30 20 DBED C[C@H](C#N)C(=O)N1CCCO[C@@H](CNC(=O)c2ccn(C)n2)C1 1019591862 AJGWPHLSDKRNSO-NEPJUHHUSA-N 319.365 -0.073 30 20 DBED C[C@@H]1CN(C(=O)C(N)=O)CC[C@H]1CNC(=O)c1c[nH]c(C#N)c1 1020798203 IPIZLYKPNSZJSX-ZJUUUORDSA-N 317.349 -0.414 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]2CN(C(=O)c3cn(C)nn3)C[C@H]21 1022563896 CQDHBIPUOBIRJL-JFGNBEQYSA-N 302.338 -0.352 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 1023327709 RVYAQQQCNMYEHU-GGZOMVNGSA-N 301.306 -0.652 30 20 DBED Cn1cc(C(=O)NC[C@@H]2CCCCN2CC#N)c(=O)n(C)c1=O 1024685497 JRHHZGVRHJKAFO-NSHDSACASA-N 319.365 -0.808 30 20 DBED C#CCN[C@@H]1CC[C@@H]2CN(C(=O)c3cn(C)c(=O)n3C)C[C@H]21 1026428891 OLNVWFGKCCTZDA-JHJVBQTASA-N 302.378 -0.203 30 20 DBED C#CCCN1CCC[C@@H]1CNC(=O)[C@H]1CCN(C)S1(=O)=O 1028196873 UIIHDAKBCXFNLY-CHWSQXEVSA-N 313.423 -0.376 30 20 DBED C=C(C)CN1[C@H]2CC[C@H]1CN(C(=O)Cn1c(O)nnc1O)C2 1029565935 ZFCWSRBWXJBLNL-QWRGUYRKSA-N 307.354 -0.059 30 20 DBED C#CCN1CC[C@H](N(C)C(=O)c2nc(O)nc(O)c2OC)C1 1033578432 WQRCVOPGDSWOAU-VIFPVBQESA-N 306.322 -0.324 30 20 DBED C#CCCN1CC[C@H](N(C)C(=O)c2cn(C)c(=O)nc2O)C1 1033662758 ZVZBJZUNFFZQFZ-NSHDSACASA-N 304.350 -0.345 30 20 DBED C[C@H](C(N)=O)N1CCO[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 1035336615 LPVBXVJMEQAOAP-BXKDBHETSA-N 305.338 -0.809 30 20 DBED C#CCN[C@H]1CCN(C(=O)CCc2nnc(O)nc2O)C[C@@H]1C 1036101272 ZVNXPHDFIWAYRZ-QWRGUYRKSA-N 319.365 -0.325 30 20 DBED C=CCCC(=O)N1CC[C@@](O)(CNC(=O)CCn2ccnn2)C1 1039566583 TWPCDHFGUFSRKO-OAHLLOKOSA-N 321.381 -0.286 30 20 DBED CC(=O)NCC(=O)N1CC[C@](O)(CNC(=O)C#CC(C)(C)C)C1 1039684732 DEJPVTDFRRREKN-INIZCTEOSA-N 323.393 -0.748 30 20 DBED C#CCCCC(=O)N1CC[C@](O)(CNC(=O)c2ccn(C)n2)C1 1039760093 HNIBABQLWZRXBO-INIZCTEOSA-N 318.377 -0.083 30 20 DBED Cn1cnc(C(=O)N2CC[C@H]3CN(c4cncc(C#N)n4)C[C@H]32)n1 1040603896 WRMCPUPXWHAINO-CMPLNLGQSA-N 324.348 -0.172 30 20 DBED CCn1cc(C(=O)NC[C@@]2(O)CCN(C(=O)[C@@H](C)C#N)C2)nn1 1040772471 MEXYUIDCJCHVHS-HZMBPMFUSA-N 320.353 -0.849 30 20 DBED Cc1nnsc1C(=O)NCC1(O)CN(C(=O)[C@H](C)C#N)C1 1041419002 CXHFYYMJHYPRLY-SSDOTTSWSA-N 309.351 -0.691 30 20 DBED N#CCN1CC[C@@]2(CCN(C(=O)CN3C(=O)CCC3=O)C2)C1 1041823855 QCHRWQKJYHLALB-OAHLLOKOSA-N 304.350 -0.417 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)C[C@H](C)NC(N)=O)C1 1041959857 BRHGDCHTXLQNBL-JTQLQIEISA-N 312.370 -0.911 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)[C@@H]2CC2(F)F)C1 1042039810 ILZMRCRQKFBOSU-VIFPVBQESA-N 304.293 -0.466 30 20 DBED C#CCCCCC(=O)NCC1(O)CN(C(=O)c2cnon2)C1 1042658437 IVTSNLWKPZBDJV-UHFFFAOYSA-N 306.322 -0.434 30 20 DBED C=C(C)CCC(=O)NCC1(O)CN(C(=O)c2ncn(C)n2)C1 1043310826 LDSLUCSXVSCOBN-UHFFFAOYSA-N 307.354 -0.526 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)Cn3cccn3)C2)cn1 1043859880 JGLVMOFPXIDUKH-KGLIPLIRSA-N 312.333 -0.484 30 20 DBED N#Cc1cnccc1N1C[C@H](O)[C@H](NC(=O)[C@@H]2COCCO2)C1 1043862226 SXQQCHFOCIWHGN-XBFCOCLRSA-N 318.333 -0.966 30 20 DBED C=CCCn1cc(C(=O)N(C)C2CN([C@H]3CCNC3=O)C2)nn1 1044028791 XUUQHRHAFYWDET-ZDUSSCGKSA-N 318.381 -0.501 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)c2ccnnc2C)C1 1044148987 LUMIGQMEYIBOMF-UHFFFAOYSA-N 316.361 -0.108 30 20 DBED C#CCN[C@@H]1CCN(C(=O)Cn2ccc(O)nc2=O)[C@@H](C)C1 1044668136 TUJCKPIOTROWLN-NWDGAFQWSA-N 304.350 -0.449 30 20 DBED C=CCCCC(=O)NCC1(O)CN(C(=O)CCc2nc[nH]n2)C1 1045451560 VJJAWLYDYOEGDY-UHFFFAOYSA-N 321.381 -0.217 30 20 DBED C#CCCN1CC[C@@H](N2CCN(C(=O)Cn3cncn3)CC2)C1 1046080636 ASPZWKJXVRTQJI-OAHLLOKOSA-N 316.409 -0.480 30 20 DBED C=CCOCC(=O)N1C[C@H]2C[C@H](NC(=O)CC(N)=O)C[C@H]1C2 1047415694 CHIZOIHCGQMVRT-SDDRHHMPSA-N 309.366 -0.440 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3cccnn23)C1 1047556981 YSIIUVFXXJTRGY-KBPBESRZSA-N 313.361 -0.130 30 20 DBED C=CCCC(=O)N(C)[C@H]1CN(C(=O)[C@@]2(C)CNC(=O)C2)C[C@@H]1O 1048539983 OVMOPWIWOMJXLM-MQIPJXDCSA-N 323.393 -0.491 30 20 DBED C=CCO[C@@H](C)C(=O)N(C)[C@H]1CN(C(=O)c2ncc[nH]2)C[C@@H]1O 1049010694 GFARBOVISWMQCS-SRVKXCTJSA-N 322.365 -0.356 30 20 DBED C=CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CNC(=O)N2)C1 1049349658 WIVIZCRESXGRIZ-WOPDTQHZSA-N 324.381 -0.946 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)c1ccnc2nc(C)nn12 1051210544 XMAVNXJWWIFSLN-GFCCVEGCSA-N 314.349 -0.503 30 20 DBED C=CCN1CCN([C@@H]2CCN(C(=O)CN3CCOCC3)C2)CC1 1052010784 GMKLQWFWYHNKNO-MRXNPFEDSA-N 322.453 -0.277 30 20 DBED C#CCN1CCN([C@H]2CCN(C(=O)Cc3nc[nH]n3)C2)CC1 1052106307 HIXXNTVHLFPIKT-ZDUSSCGKSA-N 302.382 -0.801 30 20 DBED N#CCN1CCC[C@H](NC(=O)CN2CCCS2(=O)=O)CC1 1052428601 JTXJIKIUCXHKLP-LBPRGKRZSA-N 314.411 -0.484 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)c1nnn(C)c1C)CCO2 1053201970 ZISWMZKKQOGDBN-UHFFFAOYSA-N 303.366 -0.326 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)c3ccc(=O)n(C)c3)CO2)C1 1053861833 WUTAIYOYQPQTLS-CQSZACIVSA-N 315.373 -0.018 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)[C@H]3CCN(C)C3=O)CO2)C1 1053893133 KWVQRSBQYUKDJR-CHWSQXEVSA-N 305.378 -0.553 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)[C@@H]3CC(=O)N(CCC)C3)CO2)C1 1053940814 LSYGITKYAMLBEL-KGLIPLIRSA-N 319.405 -0.162 30 20 DBED N#CCN1CC[C@]2(CCCN(C(=O)Cn3c(O)nnc3O)C2)C1 1054233964 UIIFTFXYDYNGNA-CQSZACIVSA-N 320.353 -0.473 30 20 DBED COCCn1nc(C(=O)N2C[C@@H](NCC#N)[C@H](C)C2)ccc1=O 1054878297 AQAHAHZPJFZHAH-DGCLKSJQSA-N 319.365 -0.537 30 20 DBED C=CCCn1cc(C(=O)N2CCC[C@](CO)(NC(C)=O)C2)nn1 1055674551 RQGOZUKLDQUBKT-HNNXBMFYSA-N 321.381 -0.043 30 20 DBED C=CCOCC(=O)N1CCC[C@](CO)(NC(=O)[C@H](C)OC)C1 1055806075 KGQZJRUFIVACMF-WFASDCNBSA-N 314.382 -0.306 30 20 DBED C=CCCC(=O)N1CCC[C@](CO)(NC(=O)c2ncn(C)n2)C1 1055924683 YTFATIOZBJEVHQ-HNNXBMFYSA-N 321.381 -0.135 30 20 DBED C[C@@H](C#N)C(=O)N[C@]1(CO)CCCN(C(=O)c2cnnn2C)C1 1056094356 SBACXPYMMNFFLF-IINYFYTJSA-N 320.353 -0.942 30 20 DBED CN(c1ccnc(C#N)n1)[C@@H]1CCN(C(=O)c2nnn(C)n2)C1 1057002702 QDRFXHYXZAXLII-SECBINFHSA-N 313.325 -0.777 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)[C@H]1C[C@H]2C=C[C@H]1O2 1057198365 XPOZROULEXFEEF-HZSPNIEDSA-N 324.377 -0.530 30 20 DBED C=C[C@](C)(O)CC(=O)N(CCO)CCNC(=O)COC(C)C 1057450599 VCTBLVSKMNUAOU-HNNXBMFYSA-N 316.398 -0.324 30 20 DBED Cc1ccc(C(=O)N(CCO)CCNC(=O)[C@H](C)C#N)nn1 1057543033 UGIWQQKKLVYEGN-SNVBAGLBSA-N 305.338 -0.505 30 20 DBED C=C[C@H](C)[C@@H](C)C(=O)NCCN(CCO)C(=O)Cn1nccn1 1057702141 JEJWXMKTEUGCCN-QWHCGFSZSA-N 323.397 -0.327 30 20 DBED N#Cc1nccc(N2CCC[C@H](NC(=O)[C@H]3COC(=O)N3)C2)n1 1058152658 YBNFMGTVNLSSOD-VHSXEESVSA-N 316.321 -0.458 30 20 DBED N#Cc1nccnc1N1CCC[C@@H](NC(=O)Cc2nc[nH]n2)C1 1058193693 DPMJGYULNIYOMZ-SNVBAGLBSA-N 312.337 -0.206 30 20 DBED CN1C[C@H](C(=O)N2CC[C@H](Nc3cncc(C#N)n3)C2)NC1=O 1059023300 RLAUITHGRFWPHM-GXSJLCMTSA-N 315.337 -0.615 30 20 DBED Cc1cc(C#N)nc(N[C@H]2C[C@@H](NC(=O)[C@@H]3CCNC3=O)C2)n1 1059781559 DDZOQRMWEAAJCI-JFGNBEQYSA-N 314.349 -0.148 30 20 DBED N#Cc1ccc(NC[C@H]2CCN(C(=O)[C@H]3CNC(=O)N3)C2)cn1 1060972489 LQGUXCXHAKSZTM-ZWNOBZJWSA-N 314.349 -0.105 30 20 DBED C=CCCC(=O)N1CCOC[C@H]1CNC(=O)[C@H]1CCNC(=O)C1 1061497772 WCAOMLVAHHBUKS-QWHCGFSZSA-N 323.393 -0.178 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1COCCN1C(=O)c1nc[nH]n1 1061571919 JTFMBLNUSWYCQK-LLVKDONJSA-N 303.322 -0.825 30 20 DBED Cc1nonc1C(=O)N1CCOC[C@@H]1CNC(=O)C#CC1CC1 1061572940 IBIWNIPKFMAJRI-LBPRGKRZSA-N 318.333 -0.251 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)CN1CCCC1 1061598997 JKKOHZYZMDFBIO-STQMWFEESA-N 308.382 -0.415 30 20 DBED C=C(C)CCC(=O)N1CCOC[C@H]1CNC(=O)Cn1nccn1 1061620109 ZPWIBGBTZYDECK-CYBMUJFWSA-N 321.381 -0.022 30 20 DBED C=CCCC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1CCC(=O)N1C 1061781565 IJPSDYYVAJJDCK-STQMWFEESA-N 323.393 -0.083 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)CN1CCCC1=O 1061845107 CMXFXXDYGKQQHP-RYUDHWBXSA-N 322.365 -0.888 30 20 DBED Cc1nn(C)cc1C(=O)N1CCOC[C@@H]1CNC(=O)[C@@H](C)C#N 1061845134 CWILFFXWFIRDQQ-JQWIXIFHSA-N 319.365 -0.155 30 20 DBED CC(C)C#CC(=O)NCC1(NC(=O)Cn2cnnn2)CCC1 1062958389 GSORSTVUWGXWDF-UHFFFAOYSA-N 304.354 -0.512 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(NC(=O)c2cnn[nH]2)CCC1 1063046594 NXUYWNNWPOPWCA-SNVBAGLBSA-N 305.338 -0.388 30 20 DBED N#Cc1nc(=NC[C@H]2CCC[C@@H]2NC(=O)c2nc[nH]n2)cc[nH]1 1064105612 HQDWOWZSHDJDMN-ZJUUUORDSA-N 312.337 -0.101 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)CN2CCCNC2=O)CCC1 1064306605 MFALVIIRHNCYKQ-LLVKDONJSA-N 321.381 -0.284 30 20 DBED C=CCCC(=O)N1CCO[C@@H](CNC(=O)Cc2nc[nH]n2)C1 1064957810 QLVPADUQMGNUPC-NSHDSACASA-N 307.354 -0.343 30 20 DBED C=C[C@@](C)(CC)C(=O)NC[C@H]1CN(C(=O)CC(N)=O)CCO1 1064999548 YMKRBKQTFXRJRR-NHYWBVRUSA-N 311.382 -0.192 30 20 DBED C#CCCCC(=O)N1CCO[C@H](CNC(=O)C(C)(C)C(N)=O)C1 1065096251 ZRJFDDXNQPNSNG-GFCCVEGCSA-N 323.393 -0.355 30 20 DBED CO[C@H](C)C(=O)N1CCC(O)(CN=c2cc[nH]c(C#N)n2)CC1 1067468765 CBAPRUBROAYNTI-LLVKDONJSA-N 319.365 -0.430 30 20 DBED N#Cc1nccnc1NCC1CC(NC(=O)[C@H]2C[C@H]2C(N)=O)C1 1067886704 YAMKWHVVRMUESF-LXKPXOPUSA-N 314.349 -0.224 30 20 DBED Cn1cc(C(=O)NCC2[C@H]3CN(c4ccnc(C#N)n4)C[C@H]23)nn1 1068169143 GHCIIGAIOBBEAF-GHMZBOCLSA-N 324.348 -0.411 30 20 DBED C=CCOCC(=O)N[C@@H]1COC2(C1)CN(C(=O)[C@@H](C)OC)C2 1068764303 NUNUEWYOCNVESE-NEPJUHHUSA-N 312.366 -0.290 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1COC2(C1)CN(C(=O)COC)C2 1068910281 HUKZNTPNGWAAEQ-NEPJUHHUSA-N 312.366 -0.290 30 20 DBED C[C@H]1C[C@H](N=c2cc[nH]c(C#N)n2)CN1C(=O)c1cnn(C)n1 1069119057 NFBUMLCTRWJNPY-UWVGGRQHSA-N 312.337 -0.386 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@]2(CCCN(C(=O)CNC(N)=O)C2)C1 1069709047 CVHFCUFUEOYWDS-XHDPSFHLSA-N 321.381 -0.345 30 20 DBED CC#CCN1CC[C@@]2(C1)CN(C(=O)Cn1cncn1)C[C@@H](C)O2 1071239304 ZWYFLZLZXPRIQO-GDBMZVCRSA-N 317.393 -0.007 30 20 DBED N#CCN1CCN([C@@H]2CCCN(C(=O)c3cnon3)C2)C(=O)C1 1071275788 PKDBHFPDQLUNSF-LLVKDONJSA-N 318.337 -0.658 30 20 DBED C=CCOCC(=O)N1C[C@@H](NC(=O)c2c[nH]c(=O)cn2)[C@H](C)C1 1071809642 WXNBQGIEWXGTTG-ZYHUDNBSSA-N 320.349 -0.451 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](C)[C@@H](NC(=O)Cc2nc[nH]n2)C1 1072047201 AYXXUKXMRZWQFP-NEPJUHHUSA-N 303.366 -0.030 30 20 DBED C[C@H](C(N)=O)N1CCCO[C@@H](CNC(=O)c2ccc(C#N)[nH]2)C1 1073574445 SAIVAOYFYWINDF-PWSUYJOCSA-N 319.365 -0.419 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)c2cnc3n2CCOC3)C1 1073647796 OLNSFHSQBVHWMC-ZDUSSCGKSA-N 318.377 -0.133 30 20 DBED C=CCOCC(=O)N1CC[C@H](NC(=O)CNC(N)=O)[C@@H](C)C1 1073705065 PZRLYJWVDFZIOQ-QWRGUYRKSA-N 312.370 -0.790 30 20 DBED C=CCCC(=O)N[C@H]1CCN(C(=O)Cn2cnnn2)C[C@@H]1C 1073805479 IFZZZLMZLACJIU-RYUDHWBXSA-N 306.370 -0.008 30 20 DBED C[C@H]1C[C@@H](NC(=O)CSCC#N)CCN1C(=O)CC(N)=O 1074840581 KBVOHBIKKFYIED-UWVGGRQHSA-N 312.395 -0.386 30 20 DBED C#Cc1cncc(C(=O)N[C@@H](C)CCNC(=O)CNC(C)=O)c1 1075414325 DHLUOSARVPEVBA-NSHDSACASA-N 316.361 -0.176 30 20 DBED C=CCN1C[C@@H]2CCN(C(=O)CN3CCN(C)C(=O)C3)[C@@H]2C1 1075966289 WJWDSIDFLJLEFU-UONOGXRCSA-N 306.410 -0.521 30 20 DBED CC1(C)C(=O)NC(=O)N1CC(=O)N1CC[C@H]2CN(CC#N)C[C@H]21 1076428470 VUGNQWJAFORLHV-WDEREUQCSA-N 319.365 -0.627 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)c2cccc3c2NC(=O)CO3)C1 1077147521 SVQWSPZMWDZFPO-VXGBXAGGSA-N 317.345 -0.022 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)Cn2ncc3cccnc32)C1 1077404811 OHOZUNOILUMZTQ-CHWSQXEVSA-N 301.350 -0.221 30 20 DBED CCc1nn(C)c(Cl)c1C(=O)N[C@@H]1CN(CC#N)C[C@H]1O 1077962759 SGTUGWQOGJYURK-NXEZZACHSA-N 311.773 -0.066 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCCN2C(N)=O)C1 1077981380 LBAWQMWFFQBUDD-FRRDWIJNSA-N 310.398 -0.343 30 20 DBED C[C@@H](CCNC(=O)[C@H](C)C#N)NC(=O)c1cncc(C(N)=O)c1 1078133858 XLDBBIVZMITUJP-ZJUUUORDSA-N 317.349 -0.035 30 20 DBED C#CCNC(=O)CC(=O)N(CC)C1CN(C(=O)[C@@H](C)OCC)C1 1079644274 AVFIQVXIYCXQMC-GFCCVEGCSA-N 323.393 -0.390 30 20 DBED CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)[C@H]2CCC(=O)N2C)C1 1080421903 UKRZBRWLMJXANB-ZYHUDNBSSA-N 306.366 -0.174 30 20 DBED C=CCOCC(=O)N1CC(N(CC)C(=O)[C@]2(C)CCNC2=O)C1 1080548821 KLLZWVRXVGKESD-MRXNPFEDSA-N 323.393 -0.226 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CO)(NC(=O)CC(C)(C)O)CC1 1080837126 MZQZIUVQJXHUBC-LLVKDONJSA-N 311.382 -0.223 30 20 DBED Cc1nc[nH]c1C(=O)N1CCC(CO)(NC(=O)[C@@H](C)C#N)CC1 1080983553 QYJGTRQDWAWFEG-JTQLQIEISA-N 319.365 -0.039 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CCCC(N)=O)C1 1081578206 YAJRWVAITVAMRT-QWHCGFSZSA-N 323.393 -0.763 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1ccnc2[nH]nnc12 1081928399 RZQREOCLXOBQQU-NXEZZACHSA-N 301.310 -0.695 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1ccc2ncn(C)c2n1 1082131405 BYTATGORISUDQD-CHWSQXEVSA-N 314.349 -0.079 30 20 DBED C[C@@H]1CN(C(=O)[C@H]2CCc3nnc(O)n3C2)C[C@H]1NCC#N 1082602484 FZCJKHAPBICENI-OUAUKWLOSA-N 304.354 -0.494 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)C[C@H]1CCCC(=O)N1 1083138002 BDXFINMQFUSKAS-QLFBSQMISA-N 319.405 -0.020 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCn3c(cnc3C)C2)C1 1083781913 ZWBJLLLKRWULIJ-BMFZPTHFSA-N 316.405 -0.061 30 20 DBED C[C@@H](C(N)=O)N1CC[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)[C@@H]2C1 1084261789 YTJNSTOSNRMHIQ-UFGOTCBOSA-N 301.350 -0.094 30 20 DBED C#CCCN1CC[C@@H]2CN(C(=O)[C@@H]3CN(C(C)=O)CCO3)[C@@H]2C1 1084805420 NDRPIIDRAZABDU-OAGGEKHMSA-N 319.405 -0.210 30 20 DBED N#CCN[C@H]1C[C@H](CNC(=O)c2cn(C[C@H]3CCOC3)nn2)C1 1086517788 ZVEWFGRNNNYJPK-JHJVBQTASA-N 318.381 -0.064 30 20 DBED C=CCN1CC[C@H](NC(=O)Cn2cccc(C)c2=O)[C@H](O)C1 1090265042 JHOWXXQINFGNBG-UONOGXRCSA-N 305.378 -0.106 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2cc3n(n2)CCCC3)[C@H](O)C1 1090345493 ANFADIOOEOUTLO-TZMCWYRMSA-N 303.366 -0.092 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2cn3cccnc3n2)[C@@H](O)C1 1090393135 GITWWYPYDWDEDD-JSGCOSHPSA-N 313.361 -0.082 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)c2ccc3nnnn3c2)[C@@H](O)C1 1090430093 IVTGRRWCIVMMBH-STQMWFEESA-N 316.365 -0.135 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2cnn3cccnc23)[C@@H](O)C1 1090478861 IGJWIUHCUWCYHY-NEPJUHHUSA-N 300.322 -0.582 30 20 DBED N#Cc1ccc(F)c(CN2CC[C@H](NC(=O)C(N)=O)[C@H](O)C2)c1 1090535998 YSFJOWAYPZWKIX-QWHCGFSZSA-N 320.324 -0.766 30 20 DBED C=CCCN1CC[C@@H](NC(=O)c2cn(C)c(=O)n2C)[C@H](O)C1 1090836512 NSQXAXCYZDELJB-DGCLKSJQSA-N 308.382 -0.535 30 20 DBED CO[C@@H]1CN(c2ncccc2C#N)C[C@H]1NC(=O)CNC(C)=O 1090856198 CNCBSQADXDEMND-CHWSQXEVSA-N 317.349 -0.591 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1091118528 NRFWPSIPAWJGKQ-RTXFEEFZSA-N 317.349 -0.395 30 20 DBED C[C@@H]1[C@@H](NC(=O)CCNC(N)=O)CCN1c1ccnc(C#N)n1 1091969551 XBBUNYREDOWLBP-ZJUUUORDSA-N 317.353 -0.510 30 20 DBED CCOCC(=O)N[C@H]1CCN(c2nccnc2C#N)C[C@H]1O 1092128627 JPDJDVSGAPVKFK-CMPLNLGQSA-N 305.338 -0.559 30 20 DBED CCOCCC(=O)N[C@H]1CCN(c2ccc(C#N)nn2)C[C@H]1O 1092154130 RUEOXWJGAYORCF-QWHCGFSZSA-N 319.365 -0.169 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)[C@H]3CCC(=O)N3)c3nccn32)C1 1092357036 OJEWHHRLMLAXMR-GHMZBOCLSA-N 314.349 -0.743 30 20 DBED CC(=O)NCC(=O)NC1[C@@H]2CN(c3nc(C)cc(C#N)n3)C[C@@H]12 1093214281 CIWCOXMPMBAPQS-VXGBXAGGSA-N 314.349 -0.656 30 20 DBED Cc1nsc(NCCNC(=O)C[C@@H]2CC(=O)NC2=O)c1C#N 1093717957 ZNRZKQODNYSTBJ-MRVPVSSYSA-N 321.362 -0.096 30 20 DBED CC#CCN1CC(N2C[C@H](NC(=O)c3ccon3)CC2=O)C1 1094710927 YNLYDIJJDUPQMU-LLVKDONJSA-N 302.334 -0.287 30 20 DBED CC#CCN1CC(N2C[C@@H](NC(=O)c3cc(C)[nH]n3)CC2=O)C1 1094712027 SGZACOFUNZOLNZ-LBPRGKRZSA-N 315.377 -0.244 30 20 DBED Cc1ncnc(O)c1C(=O)NCCCN=c1cc[nH]c(C#N)n1 1094715182 XRWQKOMEFJKVCO-UHFFFAOYSA-N 313.321 -0.194 30 20 DBED N#Cc1nccnc1N1CCC(CNC(=O)CC(N)=O)CC1 1095344812 PJCNDPLDKAJYEQ-UHFFFAOYSA-N 302.338 -0.444 30 20 DBED N#Cc1ccc(N2CCN(CCCNC(=O)C(N)=O)CC2)nc1 1096256486 CQZIAYRZQZYRJT-UHFFFAOYSA-N 316.365 -0.933 30 20 DBED C=CCN(CCO)C1CCN(C(=O)CCn2cnnn2)CC1 1098511580 AOSXFNZTCLMICA-UHFFFAOYSA-N 308.386 -0.466 30 20 DBED C[C@@H](CCNC(=O)[C@@H]1COCCN1C)Nc1ccc(C#N)nn1 1099022694 XDWSDGBEERDCNI-AAEUAGOBSA-N 318.381 -0.014 30 20 DBED N#CCSCC(=O)N[C@@H]1CCN(Cc2ncccn2)C[C@H]1O 1099688800 AVAPEOHHQCPKSU-VXGBXAGGSA-N 321.406 -0.215 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CCN(CCNC(=O)C2CC2)C[C@H]1O 1099821400 UMLLJTHIKIILJS-HUUCEWRRSA-N 321.421 -0.277 30 20 DBED CC#CCN1CC[C@H](NC(=O)CN(C)C(=O)C(C)C)[C@@H](O)C1 1099860424 BNAZVVRXEVPWOF-KBPBESRZSA-N 309.410 -0.325 30 20 DBED C#CCN1CC[C@@H](NC(=O)C2(COC)CCOCC2)[C@H](O)C1 1099865718 BZKZFJOHJJIJOP-ZIAGYGMSSA-N 310.394 -0.386 30 20 DBED C=CCCCN1CC[C@H](NC(=O)C(=O)NCC(F)F)[C@H](O)C1 1099901565 KWRKBBICNHJIIA-WDEREUQCSA-N 319.352 -0.115 30 20 DBED Cc1ncnc(O)c1CCC(=O)N[C@H]1CCN(CC#N)C[C@H]1O 1099903179 BJUOUWBCZMCYHR-QWHCGFSZSA-N 319.365 -0.502 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)CCC2(C)CC2)[C@H](O)C1 1100060860 ZEGSDUVDRCHNGS-ZIAGYGMSSA-N 321.421 -0.133 30 20 DBED CN(CCNC(=O)[C@@H]1CCNC(=O)CC1)c1ccnc(C#N)n1 1100237572 OZTLVHDSNXGUJS-NSHDSACASA-N 316.365 -0.183 30 20 DBED N#CCNC(=O)CNC1CC(CNC(=O)c2ccns2)C1 1100374655 YATLBZMCBXIHNA-UHFFFAOYSA-N 307.379 -0.119 30 20 DBED CCc1nc(C#N)cc(N2CC[C@H](CNC(=O)CC(N)=O)C2)n1 1100948089 IHKYIBPVVGJXFU-SNVBAGLBSA-N 316.365 -0.271 30 20 DBED C#CCN1CC[C@H](Oc2ccnc(CNC(=O)C(N)=O)c2)C1 1101096820 BZISWKGOANELMJ-ZDUSSCGKSA-N 302.334 -0.731 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)[C@@H]1CCN(C)C1=O 1104772164 UITFQQKEYMYEQI-WDEREUQCSA-N 316.365 -0.493 30 20 DBED C[C@@H]1C[C@@H](C(=O)N2CC(n3cc(CNCC#N)nn3)C2)CO1 1105270582 CPKSRJYLZZKOLM-GHMZBOCLSA-N 304.354 -0.300 30 20 DBED CC(=O)N(C)CC(=O)N(C)CCN(C)c1cncc(C#N)n1 1105329479 INLFTUVAFXKHBP-UHFFFAOYSA-N 304.354 -0.279 30 20 DBED CCn1ccc(C(=O)N2CC(n3cc(CNCC#N)nn3)C2)n1 1105339111 JSQJMGJMZNHSNR-UHFFFAOYSA-N 314.353 -0.195 30 20 DBED Cc1nc(C)c(C(=O)NC[C@H](O)CN=c2cc[nH]c(C#N)n2)o1 1105770202 WMNBPCCEWATLHB-SNVBAGLBSA-N 316.321 -0.422 30 20 DBED Cc1nc2ncnn2c(NC[C@H](O)CNC(=O)[C@H](C)C#N)c1C 1105774659 VGMDNPNBQZBYCK-KCJUWKMLSA-N 317.353 -0.210 30 20 DBED CC(=O)N(C)CC(=O)NC[C@H](O)CNc1ncc(C#N)cc1F 1105777597 BHPIWDMMWWFQDU-NSHDSACASA-N 323.328 -0.540 30 20 DBED Cc1nc(NC[C@@H](O)CNC(=O)Cn2nccn2)ccc1C#N 1105985132 IFTKWJHQSGHVBD-GFCCVEGCSA-N 315.337 -0.558 30 20 DBED C[C@@H]1CCO[C@@H]1C(=O)NC[C@@H](O)CNc1cncc(C#N)n1 1106122141 SDHLJGQAJPIIPV-CDMKHQONSA-N 305.338 -0.338 30 20 DBED C[C@H](CCNc1cncc(C#N)n1)NC(=O)[C@H]1CN(C)CCO1 1106293109 BKPZXVYJNUEGED-DGCLKSJQSA-N 318.381 -0.014 30 20 DBED C#CCNC[C@@H]1CN(C(=O)CS(=O)(=O)CCOC)C[C@H]1C 1106330322 WSDQEKRVQYTXBY-CHWSQXEVSA-N 316.423 -0.635 30 20 DBED C=CCCC(=O)NC[C@]1(C)CN([C@H]2CCC(=O)NC2=O)CCO1 1107801964 FSPCDXVHLSJIBF-BLLLJJGKSA-N 323.393 -0.035 30 20 DBED C#CCCN1CCO[C@](C)(CNC(=O)[C@H]2CCCNC2=O)C1 1108010031 LGXAYPODAZDCIY-XJKSGUPXSA-N 307.394 -0.257 30 20 DBED C[C@@H](CNc1cncc(C#N)n1)NC(=O)[C@H]1CCNC(=O)C1 1108335550 OPQUUDIFTOEGMP-UWVGGRQHSA-N 302.338 -0.209 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)[C@H]2CCCN2C(C)=O)C1 1108426514 NPSPKCXDYLTFHX-GDBMZVCRSA-N 307.394 -0.162 30 20 DBED C#CCOCCC(=O)N[C@@H]1CC(=O)N(C2CN(CCC)C2)C1 1108546302 UDYSBVYTIWDDKH-CYBMUJFWSA-N 307.394 -0.162 30 20 DBED C[C@@H](CC(=O)N[C@@H](C)CN(C)c1ccc(C#N)nn1)NC(N)=O 1109096585 DOUMLXZYRRMEBQ-UWVGGRQHSA-N 319.369 -0.264 30 20 DBED C[C@@H](CN(C)c1nccnc1C#N)NC(=O)[C@H]1CCCC(=O)N1 1109131187 DDEDMEFCVVAZCM-WDEREUQCSA-N 316.365 -0.042 30 20 DBED C#CCCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CC[C@H]1NC(=O)NC1=O 1110077235 MCPDWTZWERYZTP-NDBYEHHHSA-N 318.377 -0.281 30 20 DBED C=C(C)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CS(=O)(=O)NC 1110109604 CFCYZCGILCODHS-WOPDTQHZSA-N 301.412 -0.167 30 20 DBED N#Cc1cnc(NC2(CNC(=O)[C@@H]3CCCNC3=O)CC2)cn1 1110257552 ZSMXJHVASUPTCA-LLVKDONJSA-N 314.349 -0.065 30 20 DBED C=CCNC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CC(N)=O 1110418126 HGNWWHSELIWKQG-KKOKHZNYSA-N 308.382 -0.726 30 20 DBED N#Cc1nccnc1N1CC[C@@](O)(CNC(=O)c2cnco2)C1 1111121515 HJCFOTQMVXRVAG-CQSZACIVSA-N 314.305 -0.293 30 20 DBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCNC(N)=O 1111372927 OLVGQMPCLFDWPJ-UTUOFQBUSA-N 323.397 -0.932 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(c2cc(F)ncn2)C[C@@H]1O 1112720686 OLWFSXSQFQUXRO-NEPJUHHUSA-N 304.325 -0.058 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)c2n[nH]c(C)c2O)CC1 1112767761 DPDIQCPEZGEAEB-LLVKDONJSA-N 319.365 -0.681 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)C[C@H]2CC[C@@H](C)O2)CC1 1113294936 XIVXPGICKKPGCD-ZIAGYGMSSA-N 307.394 -0.162 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@H](C)N(C)c1ccc2nnnn2n1 1113582613 LNLMDXPVGFGAEU-IINYFYTJSA-N 319.369 -0.213 30 20 DBED C[C@H](CNC(=O)C[C@@H]1CCNC1=O)N(C)c1cncc(C#N)n1 1113755370 BLOJBTIWDYSTDI-MNOVXSKESA-N 316.365 -0.185 30 20 DBED COCC#CCN1C[C@@H]2C(NC(=O)c3ccc(O)nn3)[C@H]2C1 1113809631 LTRKXOTZQRNUFA-QWRGUYRKSA-N 302.334 -0.508 30 20 DBED CCOCCNC(=O)CN1C[C@H]2C(NC(=O)[C@@H](C)C#N)[C@@H]2C1 1114064615 SZRWWFDXTXWRJJ-QJPTWQEYSA-N 308.382 -0.655 30 20 DBED C=C(C)CCN1C[C@@H]2C(NC(=O)CN(C)S(C)(=O)=O)[C@H]2C1 1114363443 DCGVEZMFTSYQEL-RYUDHWBXSA-N 315.439 -0.110 30 20 DBED CCc1ncoc1C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1114805960 NBTSANGEJHWRSF-IWIIMEHWSA-N 317.349 -0.463 30 20 DBED C[C@@H]1CCCN1CC(=O)NC1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]12 1114831997 JOKUIEYLSXPXDC-JHJVBQTASA-N 319.409 -0.843 30 20 DBED CC#CCN1C[C@H]2[C@H](NC(=O)C(C)(C)NS(C)(=O)=O)[C@H]2C1 1114942398 LJGKHYLAKJVDKG-GDNZZTSVSA-N 313.423 -0.616 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3nc(C)oc3C)[C@H]2C1 1115011735 XWFSYRJHIXMPKA-RYUDHWBXSA-N 316.361 -0.299 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2[C@@H]3CN(CC(=O)NCC)C[C@@H]32)cn1 1115140282 UUNGRFYXSXSSBJ-FOLVSLTJSA-N 312.373 -0.141 30 20 DBED Cc1cc(=N[C@@H](C)CN(C)C(=O)[C@H](C)NC(N)=O)c(C#N)c[nH]1 1115674192 AOKUVDBRYGFTQF-QWRGUYRKSA-N 318.381 -0.001 30 20 DBED COC[C@H](NC(=O)C(=O)N1CC[C@@](F)(C#N)C1)[C@@H]1CCCO1 1117598813 JYHQLCWIZJZBFI-COPLHBTASA-N 313.329 -0.239 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)N[C@H]2CCc3c[nH]nc3C2)C1 1118151311 GWLXTABECGITCW-NHYWBVRUSA-N 317.349 -0.740 30 20 DBED Cc1nnsc1C(=O)NC[C@@H](CO)Nc1cnc(C#N)cn1 1121030279 DZEQQFAQAMOIQZ-VIFPVBQESA-N 319.350 -0.289 30 20 DBED COc1cc(C(=O)NC[C@@H](CO)Nc2cncc(C#N)n2)on1 1121465956 XNUBJEYRFUJWGK-VIFPVBQESA-N 318.293 -0.452 30 20 DBED COCCO[C@H](C)C(=O)NC[C@@H](CO)Nc1ccc(C#N)cn1 1122011833 DDQXSDHGJDZZPE-YPMHNXCESA-N 322.365 -0.106 30 20 DBED N#Cc1nc(=N[C@H](CO)CNC(=O)CC2=CCOCC2)cc[nH]1 1122480631 QWMBFMJGQALOMP-LBPRGKRZSA-N 317.349 -0.604 30 20 DBED C[C@@H]1OCCO[C@@H]1C(=O)NC[C@@H](CO)Nc1nccnc1C#N 1122776095 LYWCCRLGQCGPFC-NHCYSSNCSA-N 321.337 -0.959 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)CN1CCCC1=O 1123348439 ZSQPCKZKEHFFMD-UHFFFAOYSA-N 322.409 -0.485 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)[C@H](C)OCC 1123962157 CNYZVHLHCUMVIR-JTQLQIEISA-N 300.359 -0.871 30 20 DBED COCCOCC(=O)N(C)C[C@@H](O)CNc1ccc(C#N)cn1 1124191468 MRWYSSPAHAHWCC-ZDUSSCGKSA-N 322.365 -0.153 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]cc1C#N)C(=O)c1cn(C)cn1 1124245567 FGXQPVZOIANMCB-LBPRGKRZSA-N 314.349 -0.346 30 20 DBED Cc1c[nH]cc1C(=O)N(C)C[C@@H](O)CN=c1cc[nH]c(C#N)n1 1124359182 YZBOYAFHICPTLU-NSHDSACASA-N 314.349 -0.048 30 20 DBED CN(C)CCC(=O)N(C)C[C@@H](O)CN(C)c1nccnc1C#N 1125253947 JEZNYKWTQFKMBO-GFCCVEGCSA-N 320.397 -0.445 30 20 DBED C=C(C)CN(CC)C(=O)[C@@H](C)NCCNC(=O)c1cnnn1C 1126540643 AWADOEHPBRHDOJ-GFCCVEGCSA-N 322.413 -0.052 30 20 DBED CC(C)C#CC(=O)NCCNCC(=O)N1CCC(C(N)=O)CC1 1126815725 JWSMEGZRONYSMW-UHFFFAOYSA-N 322.409 -0.925 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)CCc1nccn1C 1131656423 OLGSLOHMFVMOHL-GFCCVEGCSA-N 307.398 -0.251 30 20 DBED C#CCNC(=O)CN1C[C@H](NC(=O)c2cn(C)cn2)CC[C@@H]1C 1131955723 PSZYWLNDSMPSCZ-QWHCGFSZSA-N 317.393 -0.248 30 20 DBED C#CCNC(=O)CN1C[C@H](NC(=O)c2nc[nH]n2)CC[C@@H]1C 1132369057 TUCWWHGANKVJFL-WDEREUQCSA-N 304.354 -0.863 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1nc(Cl)cs1 1132873011 WDKKHIYSURBNSB-UHFFFAOYSA-N 300.771 -0.135 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)CCn1ccnn1)NCC(=O)NCC#N 1134193835 PMXUZNLRSSNJGR-NWDGAFQWSA-N 321.385 -0.819 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1cccc2c1OCC2 1134205565 TZQBHQULNIVIAT-UHFFFAOYSA-N 302.334 -0.419 30 20 DBED COCC#CCN[C@H](C)C[C@H](C)NC(=O)c1nnc(O)nc1O 1134867501 OKEYKSHRXPGXFH-ZJUUUORDSA-N 323.353 -0.581 30 20 DBED C#CCN[C@H](C)C[C@H](C)NC(=O)c1nc(C)n(-c2nc[nH]n2)n1 1135139634 HXYKJDRNNCRMBH-ZJUUUORDSA-N 316.369 -0.186 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)[C@H]1CCc2n[nH]cc2C1 1147678822 LXNMFWPZAMDZDD-RYUDHWBXSA-N 319.409 -0.089 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)CCCC(=O)N(C)C 1148216138 BEQSBTXHZSFHSY-GFCCVEGCSA-N 310.398 -0.911 30 20 DBED N#CCNC(=O)CN1CCC2(C1)CN(C(=O)Cc1ccc[nH]1)C2 1148797684 OMHJCRVJJHEIAG-UHFFFAOYSA-N 315.377 -0.269 30 20 DBED C#CCNC(=O)CNCCNC(=O)COc1ccc(C)cc1 1150137422 OIDWNTHCQBFURU-UHFFFAOYSA-N 303.362 -0.171 30 20 DBED O=C(CC#Cc1ccccc1)NCCN[C@@H]1CCC(=O)NC1=O 1151952941 MTGLWFPAHAOQPC-CQSZACIVSA-N 313.357 -0.061 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@H](C)n1nc(C)cc1C 1153302644 WLMGIVKCRXZRBE-KBPBESRZSA-N 319.409 -0.095 30 20 DBED C=C(Br)CNCCNC(=O)C[C@@H]1CC(=O)NC1=O 1153886612 DVLYVVKJMSTNRE-MRVPVSSYSA-N 318.171 -0.346 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)[C@@]1(CC)CCNC1=O 1160280422 JCYVEAWGXLHTQR-MLGOLLRUSA-N 322.409 -0.864 30 20 DBED CN(C)CCC(=O)NCCC1=CCN(CC(=O)NCC#N)CC1 1161090505 VSHCWHWYPTVGSG-UHFFFAOYSA-N 321.425 -0.284 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)c1cn(C)c(=O)cn1 1162878574 JWFWRIBELCGVAM-NSHDSACASA-N 321.381 -0.820 30 20 DBED CCCN1CCC[C@H](C(=O)NCCCNCC(=O)NCC#N)C1 1164450073 XOKSSXYGHFBZTL-AWEZNQCLSA-N 323.441 -0.156 30 20 DBED C#CCNCC1(CCNC(=O)[C@@H](C)NS(=O)(=O)CC)CC1 1164608205 AECMFLNRXFAOEJ-GFCCVEGCSA-N 315.439 -0.177 30 20 DBED CC#CCN1CCO[C@@H]2CCN(C(=O)CCNC(N)=O)C[C@@H]21 1177142954 ABZPDNWEFUKNEG-QWHCGFSZSA-N 308.382 -0.630 30 20 DBED C=CCN1CCO[C@H]2CCN(C(=O)CS(=O)(=O)CC)C[C@@H]21 1177149842 DFQRYWAKKAFLKG-STQMWFEESA-N 316.423 -0.091 30 20 DBED C[C@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)[C@@H]1CCCOC1 1178302058 FRPHWJOHMBBGAO-XQQFMLRXSA-N 308.382 -0.368 30 20 DBED C#CCOCCC(=O)N1CC[C@H](NCc2nc(O)n[nH]2)[C@@H]1C 1178681928 UVNZXGPOGIUORO-QWRGUYRKSA-N 307.354 -0.371 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)[C@@]2(F)CCOC2)[C@H]1C 1179398988 QIXHSUJAPANJCE-SLEUVZQESA-N 311.357 -0.557 30 20 DBED COCC#CCN[C@H]1CCN(C(=O)C[C@@H]2CCC(=O)N2)[C@H]1C 1179699336 SDUBTJMLUDEGHL-IHRRRGAJSA-N 307.394 -0.116 30 20 DBED C[C@H]1[C@@H](NCC#N)CCN1C(=O)CCNC(=O)[C@H]1CCCO1 1180295194 FHSXIPXFDYRBCG-RWMBFGLXSA-N 308.382 -0.226 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)[C@H]2CCCN(C(N)=O)C2)C1 1184058149 IVMHZAZLXXFNKE-UONOGXRCSA-N 322.409 -0.383 30 20 DBED C#CCNC[C@H]1CCN(C(=O)CNS(=O)(=O)CC)C[C@@H]1C 1184525258 VPRLDIMSOSSJAU-QWHCGFSZSA-N 315.439 -0.367 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC[C@H]2CN(Cc3nc(O)n[nH]3)C[C@H]21 1187763733 UDKVQIXILDRADV-FIXISWKDSA-N 321.381 -0.130 30 20 DBED C=CCCOCC(=O)N1CC[C@@H](NCCS(C)(=O)=O)C1 1188287499 MQUBGTSBUIIMSQ-GFCCVEGCSA-N 304.412 -0.186 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)c2cncnc2C)C1 1191295588 XOBNYFUAVUHGDC-ZIAGYGMSSA-N 306.366 -0.237 30 20 DBED C=CCNC(=O)[C@H](C)N(C)[C@@H]1CCN(C(=O)Cn2cncn2)C1 1193886388 BRPPORFXIVAZPS-QWHCGFSZSA-N 320.397 -0.499 30 20 DBED C=CCNC(=O)[C@H](C)N1CCCN(C(=O)c2[nH]nnc2C)CC1 1196711090 QCXLPIFGYPALTO-LBPRGKRZSA-N 320.397 -0.048 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)C(=O)NCC(F)(F)F)C1 1197235661 DORPYBSXCCDAOR-RKDXNWHRSA-N 309.288 -0.598 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)CCCCN(C)C)C1 1197949655 TWHMSODBRZOGHL-HUUCEWRRSA-N 311.426 -0.471 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)N[C@@H]1CN(C(C)C)C[C@H]1O 1199095809 KZPZIUWRGMTLBL-VXGBXAGGSA-N 312.414 -0.180 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC(NCc2nc(O)n[nH]2)CC1 1200532067 MHLFPDQKPADXTL-SNVBAGLBSA-N 307.354 -0.371 30 20 DBED COc1c[nH]c(C(=O)N2CCCO[C@@H](CNCC#N)C2)cc1=O 1200964999 BNWYGDRDYOLXRB-NSHDSACASA-N 320.349 -0.272 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)[C@H](OC)C(C)C)C1 1209446759 UWVHPBCRXQLHPT-DZGCQCFKSA-N 309.410 -0.013 30 20 DBED CC#CCN[C@H]1CCCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)C1 1209941640 XAYJNXHNEJNZSP-NSHDSACASA-N 320.349 -0.989 30 20 DBED C=CCCOCC(=O)N1CCC[C@@H](N[C@H]2CCC(=O)NC2=O)C1 1211355011 KUJGDWCBJZBOGN-OLZOCXBDSA-N 323.393 -0.035 30 20 DBED COCC#CCN1C[C@@H](NC(=O)C[C@@H]2CC(=O)NC2=O)[C@H](C)C1 1211497187 AOBKAYQGUUVILI-JHJVBQTASA-N 321.377 -0.875 30 20 DBED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)C(C)(C)F 1211759251 IBVBGSMVONBYEX-NXEZZACHSA-N 300.334 -0.810 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(CCOCCO)C[C@H]1OC 1212194209 PTNNCCRXUUNDOB-NFAWXSAZSA-N 316.398 -0.862 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)c2cnco2)[C@H](OC)C1 1213237492 OGZWQBZWSRNUMM-NQBHXWOUSA-N 320.349 -0.759 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)C2=CCOCC2)C[C@H]1C 1214490990 CBHHHCIXFCIAEH-TZMCWYRMSA-N 305.378 -0.481 30 20 DBED COc1cc(CN2C[C@H](O)[C@H](NC(=O)C#CC3CC3)C2)on1 1219591878 YPISEYSMYGMKPI-OLZOCXBDSA-N 305.334 -0.242 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C(C)(C)C(=C)C)C1 1220124183 XTHFZSDHSWJKQX-OLZOCXBDSA-N 307.394 -0.501 30 20 DBED CCCCOCC(=O)N1C[C@H]2CCN(CC(=O)NCC#N)C[C@H]21 1221463040 MLOZENZGKDTODG-ZIAGYGMSSA-N 322.409 -0.024 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)[C@@H](C)OCC=C)C1 1222067066 BOTKNGZJLSJESR-KGLIPLIRSA-N 307.394 -0.093 30 20 DBED COC[C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCC#N 1225335134 FNLAUFAGTAGCMF-JHJVBQTASA-N 310.398 -0.074 30 20 DBED C#CCOCCC(=O)NC1CCN([C@@H](C)C(=O)NC(N)=O)CC1 1227332407 QFDJLZLLAUERDA-NSHDSACASA-N 324.381 -0.810 30 20 DBED C=CCOCCN1CCC(NC(=O)C[C@@H]2NC(=O)NC2=O)CC1 1227849234 LRTJULBTFZSXSC-LBPRGKRZSA-N 324.381 -0.632 30 20 DBED COC[C@](C)(C#N)NC(=O)CS[C@H]1CCS(=O)(=O)C1 1252999361 AOGPWLAOXGURDF-ONGXEEELSA-N 306.409 -0.048 30 20 DBED C=CCOCCN[C@H]1CCN(C(=O)[C@@H](C)NS(C)(=O)=O)C1 1265447953 FCXCGRAMAWWFFL-NEPJUHHUSA-N 319.427 -0.683 30 20 DBED CS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(C#N)cc1F 1319298087 GMUJUJKSBGCDTF-UHFFFAOYSA-N 313.310 -0.203 30 20 DBED C#CCN(CC1CC1)C(=O)CNS(=O)(=O)CCCOC 1319563842 UZPXRHWTVFXYHC-UHFFFAOYSA-N 302.396 -0.186 30 20 DBED C=CC[C@H](NC(=O)CCS(=O)(=O)N(C)C)C(=O)OCC 1321037610 PHNTVFUTLALAKQ-JTQLQIEISA-N 306.384 -0.108 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)NC[C@H]2COC3(CCCC3)O2)CCO1 1322916743 QSIVUQMJHHBDQM-NEPJUHHUSA-N 323.349 -0.461 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N1CCC[C@H](OCCOC)C1 1323528842 ULCUPJNBPDJHFR-STQMWFEESA-N 314.382 -0.042 30 20 DBED N#CCC1(CNC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC1 1323751986 NQZLLMWXJGDQQE-QWHCGFSZSA-N 320.393 -0.224 30 20 DBED CCN(CCC#N)C(=O)COC(=O)CC[C@@H]1NC(=O)NC1=O 1323932312 UYEQYNZWIRCXMT-VIFPVBQESA-N 310.310 -0.720 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCC[C@@](C)(CO)C1)[C@@H]1CCCO1 1325476535 WLVDPONNGZWSMQ-HEHGZKQESA-N 308.378 -0.096 30 20 DBED CC[C@H](NC(=O)C(=O)NCCCC#N)C(=O)N1CCOCC1 1329375258 HQCDYDACYJJRDB-NSHDSACASA-N 310.354 -0.840 30 20 DBED C=CCOCCNC(=O)C(=O)N1CC[C@H](NC(=O)NC2CC2)C1 1330761955 SLXNVKVKJXLWSY-LBPRGKRZSA-N 324.381 -0.632 30 20 DBED C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1332247666 FOSQTUZRLYIFJW-FFSVYQOJSA-N 320.393 -0.538 30 20 DBED C=CCCC[C@H](N)C(=O)N1CCN(C(=O)C(=O)OCC)CC1 1341733932 XCDKKEPWSYDSSN-LBPRGKRZSA-N 311.382 -0.096 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N(C)Cc1nnc(C)o1 1349486733 PANSDPBBRURPKY-LLVKDONJSA-N 308.338 -0.119 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N1CC[C@H](C2OCCO2)C1 1351528897 IQWANIZMRSVMNF-STQMWFEESA-N 324.377 -0.248 30 20 DBED N#Cc1cn(CCC(=O)NC[C@@H]2CCC[C@@H](O)C2)c(=O)nc1O 1362179085 HAVRZUJRAWGCLB-ZYHUDNBSSA-N 320.349 -0.122 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNCc1cc(O)nc(C2CC2)n1 1379189891 OWEBVDKAJUKMIX-SKDRFNHKSA-N 319.365 -0.214 30 20 DBED CCn1nc(C(=O)N2CC[C@H](NC(=O)[C@@H](C)C#N)C2)ccc1=O 1386097014 FROPAYJNOOPPMU-QWRGUYRKSA-N 317.349 -0.246 30 20 DBED CCN1CCO[C@@H](C(=O)N(CCNC(=O)[C@@H](C)C#N)C2CC2)C1 1388679524 YJFVPAXODKVKJJ-GXTWGEPZSA-N 322.409 -0.026 30 20 DBED C[C@@H](C#N)C(=O)N1CC([C@@H](C)NC(=O)Cn2ccccc2=O)C1 1395271223 AYISQIYQZDFOHN-NWDGAFQWSA-N 316.361 -0.029 30 20 DBED C[C@@H](CNCc1cc(=O)n(C)c(=O)n1C)CNC(=O)[C@@H](C)C#N 1401109492 ZEFJXGSKRSLJEL-QWRGUYRKSA-N 321.381 -0.914 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@@H](O)CNC(=O)[C@H]2CCOC2)c1 1410075377 FNFTZDOYQCTDQR-QWRGUYRKSA-N 306.322 -0.870 30 20 DBED N#Cc1cn(CC(=O)NC2(CO)CCSCC2)c(=O)nc1O 1412226233 GRLUBBHKLZJJOH-UHFFFAOYSA-N 324.362 -0.805 30 20 DBED N#Cc1cccc(CC(=O)NC[C@@]2(O)CCS(=O)(=O)C2)c1 1412967513 JERHDVGIHPNCSW-AWEZNQCLSA-N 308.359 -0.233 30 20 DBED CNC(=O)NCC(=O)N1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 1414933228 ZXLKFCZEOFUKAK-JTQLQIEISA-N 318.337 -0.854 30 20 DBED C[C@H](C#N)C(=O)NCC1CN(C(=O)C[C@@H]2CCC(=O)NC2)C1 1416122498 XDFUCOYXHPLGSG-MNOVXSKESA-N 306.366 -0.363 30 20 DBED C[C@@H](C#N)C(=O)N(CCNC(=O)[C@H]1CCCC(=O)N1)C1CC1 1431889503 PEIMFLPDNALIGX-CMPLNLGQSA-N 306.366 -0.078 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CNC(=O)C1CC1 1432498358 GELSBQNARHHIQC-USWWRNFRSA-N 304.350 -0.516 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CN(C)C(=O)c1cc(C#N)c[nH]1 1451817781 PYHAZANYOMDVPN-GXSJLCMTSA-N 303.322 -0.405 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2CN(C)CCO2)C1 1489845965 MNCXDVAMMYLVRX-RVMXOQNASA-N 308.382 -0.512 30 20 DBED C[C@@H](C#N)C(=O)NCCN1CCN(C(=O)Cc2ncc[nH]2)CC1 1493186012 XKQWKTPOPXBTDH-LBPRGKRZSA-N 318.381 -0.628 30 20 DBED N#C[C@@H](C(=O)CSC1CC1)C(=O)N1CCS(=O)(=O)CC1 1516624240 KMKNCLOXOMGIEB-JTQLQIEISA-N 316.404 -0.152 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CCN(Cc2nnnn2C2CC2)C1 1566663130 VKHDEEHOUCHIQG-VXGBXAGGSA-N 318.381 -0.263 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H]1CNCCN1C(=O)CNC1=O 1569535072 WDIXSRLJPUJGKH-WDEREUQCSA-N 307.354 -0.722 30 20 DBED C[C@@H]1CN(C(=O)CCn2cc(C#N)c(O)nc2=O)C[C@H]1C(=O)O 1571145579 COSWUTAAFBLIJP-PSASIEDQSA-N 320.305 -0.610 30 20 DBED Cc1c(C(=O)N[C@H]2CN(C(=O)O)C[C@H]2CO)cnn1CCC#N 1574114831 ZWDYXBJZXGMEEB-JQWIXIFHSA-N 321.337 -0.194 30 20 DBED C#CCN(C)c1nnc([C@@H]2CCCN2)n1Cc1nnn(C)n1 1574614583 FTHGGCIMEMTVRE-JTQLQIEISA-N 301.358 -0.656 30 20 DBED N#Cc1nc(N2CCC(OCCO)CC2)cnc1-c1nn[nH]n1 1581878728 ZBVFWCLZFJOGLO-UHFFFAOYSA-N 316.325 -0.494 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N[C@@H]1CC=C(C(=O)O)C1 1588390213 OAEOQBMSJQRGPS-VXGBXAGGSA-N 308.334 -0.179 30 20 DBED C=CCNC(=O)CN[C@H]1C[C@H](CNC(=O)[C@H]2C[C@H]2C(=O)O)C1 1588844696 OZPIRNFFWNIOLW-FIQHERPVSA-N 309.366 -0.506 30 20 DBED C[C@@H](C(=O)O)N(C1CCC1)S(=O)(=O)N1CCO[C@@H](C#N)C1 1589478975 MHYWDMIQHUBAHR-ONGXEEELSA-N 317.367 -0.217 30 20 DBED C/N=C(/NC[C@@H](C)C(=O)O)N1CCN(c2cnn(C)c2)C(=O)C1 1598632827 KIKTWXVGELULFH-SNVBAGLBSA-N 322.369 -0.635 30 20 DBED O=C(NCC#C[C@H]1CCCCO1)NCCn1cc(C(=O)O)nn1 1601446940 DCHUNCJTZQLXKT-LLVKDONJSA-N 321.337 -0.152 30 20 DBED C#CC[C@H](COC)NC(=O)C1(C(=O)O)CCS(=O)(=O)CC1 1602674751 CHUDOLOYDXECNU-SNVBAGLBSA-N 317.363 -0.580 30 20 DBED C#C[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H](O)C[C@@H](C(=O)O)C2)C1 1602676812 ISZQPQKNCQJONY-UTUOFQBUSA-N 308.334 -0.848 30 20 DBED C#CC[C@H](CO)NS(=O)(=O)c1ccc(C)cc1-c1nn[nH]n1 1602697845 UBSBLYYYLYQNGX-SNVBAGLBSA-N 321.362 -0.162 30 20 DBED C#CC[C@@H](NS(=O)(=O)c1ccc(C(=O)O)o1)C(=O)OC 1602698830 XGGQYKXYSODBEJ-SSDOTTSWSA-N 301.276 -0.179 30 20 DBED C#CC1CCN(C(=O)C(=O)N2CCO[C@H](CC(=O)O)C2)CC1 1609058200 RZMLAIAVLVGOCX-GFCCVEGCSA-N 308.334 -0.440 30 20 DBED N#CCNC(=O)CNC(=O)C(=O)Nc1cccc(CC(=O)O)c1 1611291294 NDNWBUFCLCBGNN-UHFFFAOYSA-N 318.289 -0.992 30 20 DBED N#CC[C@H]1CCCN(C(=O)Cn2cc(S(N)(=O)=O)cn2)C1 1647299425 GNGUJSSOMKPWSD-SNVBAGLBSA-N 311.367 -0.317 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)[C@H]2CCCS2(=O)=O)C1 1713837818 HQKHDZVHFBVIFD-CHWSQXEVSA-N 316.423 -0.043 30 20 DBED C=CCNC(=O)CN[C@@H](C)CNC(=O)c1ccc(C(N)=O)[nH]1 1752900395 IEJMWWRKUWSGMF-VIFPVBQESA-N 307.354 -0.876 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@@H](CNC(=O)Cc2cnoc2)C1 1753133568 XXPOJIHETVJKHB-STQMWFEESA-N 318.377 -0.207 30 20 DBED C#CCNC(=O)CNCCN(C)C(=O)c1cnc2ccccn12 1753204737 GFALWVPMEHTRJX-UHFFFAOYSA-N 313.361 -0.255 30 20 DBED CCN(C(=O)CCCn1c(O)nnc1O)[C@H]1CCN(CC#N)C1 1753462599 WKFRLOZXEQSIJH-NSHDSACASA-N 322.369 -0.084 30 20 DBED C#CCNC(=O)CNCC[C@@H]1CCCN(C(=O)CNC(C)=O)C1 1753538558 GOSMFZPPJDDPKB-AWEZNQCLSA-N 322.409 -0.910 30 20 DBED Cc1cc(C(=O)NC[C@H](C)CNCC(=O)NCC#N)ccn1 1753633158 BDQIXWQAMFNTSW-LLVKDONJSA-N 303.366 -0.015 30 20 DBED C#CCNC(=O)CNC1(CNC(=O)c2cnccn2)CCCC1 1753659968 LIHVPMHZUJOMBR-UHFFFAOYSA-N 315.377 -0.142 30 20 DBED CC#CCNC[C@H](O)CNC(=O)[C@H](C)NC(=O)C1CCCC1 1753919818 JEZLQAFQMGGPSB-JSGCOSHPSA-N 309.410 -0.229 30 20 DBED C=CCCNC[C@@H](O)CNC(=O)c1cccc(-n2cnnn2)c1 1753934542 CCIMYBNXVKJPLZ-CQSZACIVSA-N 316.365 -0.081 30 20 DBED C=CCN1CC[C@@H](NC/C=C/CNC(=O)C2(C(N)=O)CC2)C1=O 1754163510 DQONHADVPOPYJN-AAOUONPWSA-N 320.393 -0.699 30 20 DBED Cc1nccc(CCC(=O)N[C@@H](C)CNCC(=O)NCC#N)n1 1754276962 NYKQIDQAERUSMF-NSHDSACASA-N 318.381 -0.548 30 20 DBED CC#CCN1CC(N(C)C(=O)CCCN2C(=O)CNC2=O)C1 1754586604 PXNMJEOCFRHFMO-UHFFFAOYSA-N 306.366 -0.516 30 20 DBED CCn1ccnc1C(=O)N[C@]1(C)CCN(CC(=O)NCC#N)C1 1754671549 DPBDLTPNZIFMST-OAHLLOKOSA-N 318.381 -0.263 30 20 DBED COCC#CCNC1(CNC(=O)c2cnnn2C)CCOCC1 1754738448 YADKSJYYGSPNLU-UHFFFAOYSA-N 321.381 -0.667 30 20 DBED COCc1cncc(C(=O)NC[C@@]2(O)CCN(CC#N)C2)c1 1754754055 LIPSVVLZYIUGNA-HNNXBMFYSA-N 304.350 -0.082 30 20 DBED CC#CCN1CC[C@](O)(CNC(=O)c2ccc(C(N)=O)nc2)C1 1754762467 QLQRSGHEGGMDIR-INIZCTEOSA-N 316.361 -0.630 30 20 DBED N#CCN1CC(O)(CNC(=O)c2cnc(OCC3CC3)cn2)C1 1754778062 MGKJSZUYLQWVFS-UHFFFAOYSA-N 317.349 -0.435 30 20 DBED C=C(C)CNC[C@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@@H]1C 1754815921 ZYDHHCCHFXESEU-RYUDHWBXSA-N 320.397 -0.363 30 20 DBED N#CCNC(=O)CNC[C@H]1CN(C(=O)c2ccc[nH]2)CCO1 1754993736 AEEFNOSALOSBQO-NSHDSACASA-N 305.338 -0.915 30 20 DBED COCC#CCN1CC(CCO)(NC(=O)C[C@H]2CCN(C)C2)C1 1755337459 HAFGIDAFYFDZFB-OAHLLOKOSA-N 323.437 -0.469 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(CNC(=O)c3nc[nH]n3)[C@H]2C1 1755429589 IRWKTAUZEDOKFM-GHMZBOCLSA-N 304.354 -0.986 30 20 DBED C=CCOCC(=O)N1C[C@@H](NC(=O)c2nnn(C)n2)C[C@H]1C 1756584523 SDZQZLQMZDOWJN-ZJUUUORDSA-N 308.342 -0.868 30 20 DBED NC(=O)NCCC(=O)N[C@@H]1CC[C@@H](CNC(=O)C#CC2CC2)C1 1756641189 AXNUJAUIXYNRPZ-CHWSQXEVSA-N 320.393 -0.141 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(C(=O)Cc2ccon2)C[C@H]1O 1756992666 ZELQZMXYGBXVPF-CHWSQXEVSA-N 305.334 -0.292 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(C(=O)C(F)F)C[C@H]1OC 1757129210 YLWNLXNNMJSBBA-IVZWLZJFSA-N 304.293 -0.368 30 20 DBED CCNC(=O)CC(=O)N[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@@H]1O 1757167243 IPWGHPOXKUJFNF-NEPJUHHUSA-N 323.393 -0.750 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CN(C(=O)[C@@H]2CCCOCC2)C[C@@H]1O 1757171351 PCVLGSDVYRCPDR-KFWWJZLASA-N 320.389 -0.096 30 20 DBED C=CCOCC(=O)N1CC[C@@H](NC(=O)C2=COCCC2)[C@H](O)C1 1757560981 BTGSCMVEUFMRIF-ZIAGYGMSSA-N 324.377 -0.039 30 20 DBED COC(=O)CCN(CC(=O)O)S(=O)(=O)N(C)[C@H](C)CC#N 1777105145 ZCLGGAKYYZZJOY-SECBINFHSA-N 321.355 -0.585 30 20 DBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)C3(F)CCC3)C2)C1 1839811044 CRFOXAIOPGQFJJ-OAHLLOKOSA-N 324.352 -0.032 30 20 DBED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)c2cc(O)no2)C1 1844517520 HCEYIESDBXLTEF-UHFFFAOYSA-N 319.273 -0.715 30 20 DBED C[C@@H](C(=O)N1CCCC12CN(C(=O)CC#N)C2)n1ccnn1 1845812429 MVNBGCRPJVHATF-NSHDSACASA-N 302.338 -0.044 30 20 DBED C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCCNS(C)(=O)=O 29679316 VWFJUECYJDJUOA-SNVBAGLBSA-N 311.363 -0.009 30 20 DBED CCS(=O)(=O)N1CCN(S(=O)(=O)CCCCC#N)CC1 68906769 QDVDOYRISYIVGL-UHFFFAOYSA-N 323.440 -0.023 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(C)CC(C)(C)CN)C1=O 262574878 DMLSWJCRTWAVHC-UHFFFAOYSA-N 310.354 -0.594 30 20 DBED COCCN/C(N)=N/CC(=O)N1CCN(c2ccccc2)CC1 264106136 PMSYRXLFODJJJY-UHFFFAOYSA-N 319.409 -0.114 30 20 DBED C=CCCS(=O)(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 268776073 BFZBJEIONLQHNS-UHFFFAOYSA-N 315.395 -0.685 30 20 DBED CC#CCCCC(=O)N1CCS(=O)(=O)C[C@H]1C(=O)OC 275317127 SFGQXZBXTBVHKG-NSHDSACASA-N 301.364 -0.021 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)CCn2cnccc2=O)C1=O 293595122 KRBSMXOOMUETST-GFCCVEGCSA-N 304.350 -0.121 30 20 DBED COC[C@@H](C)N/C(N)=N/CCS(=O)(=O)NCC1CCC1 304746609 FYTGSBQOMSQSFN-SNVBAGLBSA-N 306.432 -0.355 30 20 DBED CN1CCN(/C(O)=N/CCS(=O)(=O)NCC2CCC2)CC1 329240845 RGRNXOYLBDMICX-UHFFFAOYSA-N 318.443 -0.133 30 20 DBED C[C@H](C/N=C(/O)[C@@H]1COCCO1)N(C)C(=O)[C@H]1COCCO1 329356213 GXUZBLXYPNJRCV-GRYCIOLGSA-N 316.354 -0.379 30 20 DBED C[C@H](C/N=C(/O)N1CCN2C(O)=NC[C@H]2C1)N1CCOCC1 329802286 KFYSCPMWFALZNR-NEPJUHHUSA-N 311.386 -0.465 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)NC[C@@H](C)N1CCOCC1 330382857 XPTTUZVOKUYGAH-NWDGAFQWSA-N 304.416 -0.367 30 20 DBED CCN(CCC#N)C(=O)CN1CCC[C@@]2(C1)NC(=O)NC2=O 331548739 FONXRSOZPVEPOR-AWEZNQCLSA-N 307.354 -0.577 30 20 DBED C=CCOc1cccnc1C(=O)N1CCN(CC(N)=O)CC1 341419142 NIPLZMWHHGOSCE-UHFFFAOYSA-N 304.350 -0.111 30 20 DBED N#Cc1ccc(NCC(=O)N[C@@H]2CCCC[C@H]2C(N)=O)nc1 345324497 FTHGPGGLCYSSRI-VXGBXAGGSA-N 301.350 0.525 30 20 DBED CC[C@H](C)[C@H](O)CNC(=O)C(=O)Nc1cc(C)n(CCC#N)n1 348810390 LXMBFRGQRGTHGP-CMPLNLGQSA-N 321.381 0.567 30 20 DBED CC(C)n1cc(C#N)c(NC(=O)C(=O)N[C@@H](C)CN(C)C)n1 357602698 HLQJDDIBRGWSKR-JTQLQIEISA-N 306.370 0.340 30 20 DBED C=C[C@@H](CO)NC(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 358895616 WLHJRFZGULTEKS-JTQLQIEISA-N 317.411 -0.211 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N1CCC[C@]2(CNC(=O)C2)C1 362409284 FDSJVIWMCBLIAT-ABAIWWIYSA-N 308.382 -0.011 30 20 DBED C#CCNC(=O)[C@H](CCC(N)=O)N1C(=O)c2ccccc2C1=O 490674222 AEWLNDXBIPWJJD-LBPRGKRZSA-N 313.313 -0.334 30 20 DBED C=CCn1cc(CNC(=O)N2CCN([C@H]3CCNC3)CC2)nn1 519386478 WNEXEONNDMYBED-AWEZNQCLSA-N 319.413 -0.347 30 20 DBED CC(C)OCCS(=O)(=O)NCC(=O)NCC1(C#N)CC1 558705624 ZGEWDERVRASJQN-UHFFFAOYSA-N 303.384 -0.249 30 20 DBED N#CCNC(=O)CNC(=O)NCCOc1ccc([N+](=O)[O-])cc1 561550966 CBLFFPYJEINMFG-UHFFFAOYSA-N 321.293 -0.087 30 20 DBED N#CC1(CNC(=O)[C@@H]2CC[C@H](C(=O)N3CCOCC3)O2)CC1 561563576 HYBKNJWIXLEWHW-NWDGAFQWSA-N 307.350 -0.187 30 20 DBED O=C1CN(CCNC(=O)NCC#Cc2cccc(F)c2)CCN1 573388162 UHCPLMOEYSRYJH-UHFFFAOYSA-N 318.352 -0.092 30 20 DBED CN(Cc1nnc2n1CCC2)c1c(C#N)c(=O)n(C)c(=O)n1C 589958392 FLLAWNNVROUTPR-UHFFFAOYSA-N 315.337 -0.870 30 20 DBED N#Cc1cccc(C(=O)NCc2cn(C[C@@H](O)CO)nn2)c1 594643927 MYJLJVMSKGLZOX-CYBMUJFWSA-N 301.306 -0.567 30 20 DBED CNC[C@@H](C)NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 595982878 IOOACCGIYMEKPO-SNVBAGLBSA-N 310.379 -0.439 30 20 DBED COc1c(C#N)ccc(=O)n1Cc1nc(N)nc(N(C)C)n1 596287175 OYQRDMSOSQRGIY-UHFFFAOYSA-N 301.310 -0.390 30 20 DBED CS(=O)(=O)NC1CN(S(=O)(=O)c2ccc(C#N)cc2)C1 599421431 MVWDTTUDORIUKW-UHFFFAOYSA-N 315.376 -0.520 30 20 DBED CS(=O)(=O)CCCNC(=O)N1CCN(CCC#N)CC1 601565933 ZOENQWRMCCNJSB-UHFFFAOYSA-N 302.400 -0.338 30 20 DBED N#CCCN1CCN(C(=O)NC[C@H]2CCCS2(=O)=O)CC1 601593982 MSETXLPYUUNWEJ-GFCCVEGCSA-N 314.411 -0.196 30 20 DBED CC(=O)NC[C@@H]1CN(C(=O)Nc2nn(C)cc2C#N)CCO1 610560860 AGKAQGKXXLIOSQ-LLVKDONJSA-N 306.326 -0.339 30 20 DBED Cn1c(=O)c2c(ncn2CCN2CC[C@@](F)(C#N)C2)n(C)c1=O 615646611 PLOAQNAZIJWFCI-CQSZACIVSA-N 320.328 -0.629 30 20 DBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C1=NNC(=O)C1 757434163 DBKSGONDQQAQHK-VIFPVBQESA-N 313.321 -0.739 30 20 DBED N#Cc1ccc(S(=O)(=O)NC(=O)CN2CCOCC2)cc1 765967864 TZXKDEPUNKQHKJ-UHFFFAOYSA-N 309.347 -0.305 30 20 DBED Cn1cc(C(=O)OC2CCN(CC#N)CC2)c(=O)n(C)c1=O 770783946 YZONKVZFJLIKAC-UHFFFAOYSA-N 306.322 -0.771 30 20 DBED C[C@@H](C(=O)OCC(=O)NC1(C#N)CCC1)N1C(=O)CCC1=O 784209156 LZEJKIPJQONEHV-VIFPVBQESA-N 307.306 -0.370 30 20 DBED C#CCOCCNC(=O)C(=O)Nc1ccc(C(N)=O)c(C)c1 785163069 CWCQCSLDUIIGGZ-UHFFFAOYSA-N 303.318 -0.202 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccc2nnnn2c1 786052360 ZIPOTNDTTNSJJH-MRVPVSSYSA-N 318.293 -0.319 30 20 DBED Cn1nccc1COCC(=O)OCCn1ncc(C#N)c1N 793142290 RTCLPCWQWTXKFX-UHFFFAOYSA-N 304.310 -0.170 30 20 DBED Cn1nnc2c(C(=O)NS(=O)(=O)CC3(C#N)CC3)ccnc21 793205325 MLFSTAREJFBZRP-UHFFFAOYSA-N 320.334 -0.273 30 20 DBED C#CCCCNC(=O)C(=O)N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 806909870 NZRUJMWQCAYFBW-GHMZBOCLSA-N 302.396 -0.204 30 20 DBED CC#CCS(=O)(=O)NC(=O)CCC(=O)N1CCOCC1 810776632 ATMBSFDEDJVTDJ-UHFFFAOYSA-N 302.352 -0.905 30 20 DBED C=C[C@H](O)C(=O)O[C@H](C)C(=O)N1CCN(c2ncccn2)CC1 814549963 OLDQYSOEQZEBAN-NEPJUHHUSA-N 320.349 -0.396 30 20 DBED C#CC[C@@H](CO)NC(=O)CCn1nnc2ccccc2c1=O 816673600 CKKJSASSVXGDGB-NSHDSACASA-N 300.318 -0.318 30 20 DBED C#CCNC(=O)C1CCN(S(=O)(=O)C[C@@H](C)C(=O)O)CC1 825618877 GJDQBRBEUQFZEL-SNVBAGLBSA-N 316.379 -0.502 30 20 DBED C=C[C@@H](O)C(=O)NCc1csc(N(C)C(=O)[C@H](O)C=C)n1 826839590 SSUUZHARTUDXPY-NXEZZACHSA-N 311.363 -0.184 30 20 DBED N#Cc1cccc([C@H](C(=O)O)N2CC[C@]3(C2)NC(=O)NC3=O)c1 833074509 ZLDICYTUZNUTCC-IAQYHMDHSA-N 314.301 -0.032 30 20 DBED C#CCO[C@@H](C)C(=O)O[C@@H](C)C(=O)NCCN1CCOCC1 835394198 CXJXGPYRWZVELR-STQMWFEESA-N 312.366 -0.595 30 20 DBED COc1nccc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](O4)[C@@H]3C2=O)n1 872427532 IVNDUISCWXNSMP-ZNSHCXBVSA-N 300.274 -0.243 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N[C@H](C)C[S@@](C)=O 875322378 HSZCLFNBFZFISZ-SUTOTMHJSA-N 302.396 -0.586 30 20 DBED C[C@H](C(=O)NC1(C#N)CCC1)N1C[C@H]2C(=O)N(C)C(=O)[C@H]2C1 879535615 PUZDZMAVTHABOJ-MXWKQRLJSA-N 304.350 -0.516 30 20 DBED C#CCN1CCC[C@@H](NC(=O)N[C@H]2CCC(=O)N(C)C2=O)C1 884429092 XUXYFQLWSJFWPD-NEPJUHHUSA-N 306.366 -0.469 30 20 DBED C=C(C)CN1CCC(NC(=O)C(=O)N2C[C@@H]3C[C@H]2CN3)CC1 884642900 SKDKFPJCFATDGR-KBPBESRZSA-N 306.410 -0.284 30 20 DBED C#CC1(O)CN(C(=O)CCC(C)(C)C(=O)N2CC(O)(C#C)C2)C1 890522927 IMRYBEUSGXPHAJ-UHFFFAOYSA-N 318.373 -0.794 30 20 DBED C#CCN1CCC[C@H](Nc2nc3c([nH]2)c(=O)n(C)c(=O)n3C)C1 895199522 AOKYTZLKYIHAPO-JTQLQIEISA-N 316.365 -0.530 30 20 DBED Cc1nc(CC(=O)N(C)[C@@H]2CCN(C(=O)[C@H](C)C#N)C2)n[nH]1 939397243 NUZGDNMQIVNXOJ-MWLCHTKSSA-N 304.354 -0.125 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@H]1CCN(C(=O)CC(N)=O)C1 942980428 PVMYTUBVEBYRAG-XQQFMLRXSA-N 323.393 -0.098 30 20 DBED C[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)CC[C@H]1NC(=O)C(N)=O 945280897 ZDSVAZPKMBGZLN-WCBMZHEXSA-N 303.322 -0.662 30 20 DBED Cn1nnc(C(=O)N2CCC3(CC2)CN(CC#N)CCO3)n1 949436872 GDRVRBHBGGHSCL-UHFFFAOYSA-N 305.342 -0.959 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]1CNC(=O)c1coc(C(N)=O)c1 951173896 XGYAPHLBDDOBRA-PSASIEDQSA-N 304.306 -0.131 30 20 DBED COc1cc(C(=O)NC[C@@H]2CCN2C(=O)[C@@H](C)C#N)nn1C 951318057 GQBOTTIHWQFWFK-UWVGGRQHSA-N 305.338 -0.081 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H](NC(=O)C(N)=O)C[C@@H]2C)nn1 955697098 XYFZMXIXTDIZFW-UWVGGRQHSA-N 320.353 -0.941 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cnc(OC(C)C)cn2)C1 958070260 ZCARLAQLWYLAGW-GXTWGEPZSA-N 318.377 -0.081 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2ccc3nn[nH]c3n2)C1 958121675 JOVSJZPBBOYOLT-JOYOIKCWSA-N 300.322 -0.991 30 20 DBED N#Cc1c[nH]c(C(=O)N2C[C@H]3C[C@@H](NC(=O)C(N)=O)C[C@H]2C3)c1 958147669 CPKOBOGOMUWYAA-JMJZKYOTSA-N 315.333 -0.519 30 20 DBED N#CCN1C[C@H](O)[C@H](CNC(=O)c2ccc3nc[nH]c3n2)C1 958161604 LGKTUERLZCANEM-SKDRFNHKSA-N 300.322 -0.496 30 20 DBED C#CCN1C[C@H](CNC(=O)c2cn(C)nc2COC)[C@@H](O)C1 958183171 LZHWYLCWNKKTLI-FZMZJTMJSA-N 306.366 -0.778 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2ncc3n2CCCC3)C1 958716644 NOCGMUXJRROUIX-GXTWGEPZSA-N 302.378 -0.125 30 20 DBED CCN(C(=O)[C@H]1CC(=O)N(C)C1)C1CN(C(=O)C#CC2CC2)C1 968047218 PWPBEYZCRQQXBS-ZDUSSCGKSA-N 317.389 -0.063 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@H](NC(=O)Cn2ccnc2)C1 968463834 BVHNUHZHLHTWHF-NEPJUHHUSA-N 306.366 -0.217 30 20 DBED CCn1nc(C)c(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)n1 968502112 HVWDDLUXRGDQFP-IEBDPFPHSA-N 320.353 -0.932 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1COC(=O)N1 968939316 JQKUTLNKWBAVNG-UKKRHICBSA-N 306.322 -0.544 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@@H](NCc2n[nH]c(C)n2)C1 968954973 ZHBVHBSCFKUNDU-KGLIPLIRSA-N 316.409 -0.099 30 20 DBED C#CCCN1CCO[C@@]2(CCN(C(=O)[C@H]3COCCN3C)C2)C1 972349579 ZUWHBGZYPVEVIK-WBVHZDCISA-N 321.421 -0.356 30 20 DBED CC#CCN1CCO[C@]2(CCN(C(=O)c3cn(C)nn3)C2)C1 972371813 UPTMXGHXAZUPGF-OAHLLOKOSA-N 303.366 -0.245 30 20 DBED CN(CC#N)[C@H]1CCN(C(=O)[C@@H]2CCc3nnnn3CC2)C1 972384883 PDMXQFGGRIHHDF-NEPJUHHUSA-N 303.370 -0.318 30 20 DBED CN1CC[C@@H](C(=O)N2CC[C@@]3(CN(CC#N)CCO3)C2)CC1=O 972440032 YMUQVWOYGADBFA-CZUORRHYSA-N 320.393 -0.318 30 20 DBED Cn1cc(C(=O)N2CC[C@@]3(CN(CC#N)CCO3)C2)ncc1=O 972471897 PWYGTTXBTACNBN-OAHLLOKOSA-N 317.349 -0.779 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)Cn3nccn3)C2)nc1 973313850 GVRNNLWNCQEPSE-JOCQHMNTSA-N 324.344 -0.268 30 20 DBED C=C1CC(C)(C(=O)N[C@H]2[C@@H]3CN(C(=O)[C@H]4CNC(=O)N4)C[C@@H]32)C1 977151445 SPNLEUHUMGMTOR-KXNHARMFSA-N 318.377 -0.403 30 20 DBED N#CCN1C[C@H]2C[C@H](NC(=O)C3CS(=O)(=O)C3)CC[C@H]2C1 979735714 XDZSDFKFBKOMCF-DMDPSCGWSA-N 311.407 -0.229 30 20 DBED CN(CC#N)C1CCN(C(=O)CN2C(=O)NC(=O)C2(C)C)CC1 985743644 ZLYCMDKLFOSORH-UHFFFAOYSA-N 321.381 -0.237 30 20 DBED C[C@@H]1[C@H](NCc2nnn(C)n2)CCN1C(=O)c1c[nH]c(C#N)c1 986172973 HESYCKYJRFCDPD-BXKDBHETSA-N 314.353 -0.197 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H]2CCN(C(=O)C3CC3)C[C@H]2O)c1 991377670 CUFZFDYZMZMIEE-WCQYABFASA-N 302.334 -0.012 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN(C(=O)c2ncc[nH]2)C1 994752579 SNTZBDVPILNIJU-LBPRGKRZSA-N 301.350 -0.552 30 20 DBED C=CCN1CC[C@H](N[C@H]2CN(C(=O)C(N)=O)CC2(C)C)C1=O 996224402 BUPLUIKVMHEUDH-QWRGUYRKSA-N 308.382 -0.915 30 20 DBED CCCCN1CCOC[C@@H]1C(=O)NC1CN(C(=O)[C@H](C)C#N)C1 996326305 UXAHVPXQYITSOO-TZMCWYRMSA-N 322.409 -0.026 30 20 DBED C=C1CC(C)(C(=O)N2CC(NC(=O)Cn3c(O)nnc3O)C2)C1 997257609 GOJAMYLBTWUKBU-UHFFFAOYSA-N 321.337 -0.627 30 20 DBED C[C@H](C#N)C(=O)N1CC(CNC(=O)[C@@H]2CCCN2C(N)=O)C1 1002942546 RYAJRNRMCOZAML-KOLCDFICSA-N 307.354 -0.736 30 20 DBED C=CCN1CC[C@@H](N2CCC(N(C)C(=O)C(N)=O)CC2)C1=O 1005913373 FZAJZQKOVCTGLX-GFCCVEGCSA-N 308.382 -0.819 30 20 DBED C=CCN1CCC(N(C)C(=O)Cn2nc(C)n(C)c2=O)CC1 1006354940 DGELQKAXRGCXHV-UHFFFAOYSA-N 307.398 -0.001 30 20 DBED C[C@@H](C#N)C(=O)N1CCCC2(C1)CN(C(=O)[C@H]1CCNC1=O)C2 1010769640 HYGIPFAPTOBUBI-RYUDHWBXSA-N 318.377 -0.267 30 20 DBED N#Cc1ccc(C(=O)N2CCN(C(=O)C3(C(N)=O)CC3)CC2)[nH]1 1011019818 JSYXNIRGEZASBK-UHFFFAOYSA-N 315.333 -0.564 30 20 DBED C#Cc1ccc(C(=O)N2CCN(C(=O)Cn3cncn3)CC2)cn1 1011807504 GCVFOMCCQWOHJC-UHFFFAOYSA-N 324.344 -0.361 30 20 DBED Cc1nccn1CC(=O)NC1[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]12 1013131518 WLFDBJBLTPDCHQ-YUSALJHKSA-N 301.350 -0.076 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@]2(NC(=O)Cn3cnnn3)CCC[C@@H]12 1014166771 OCIFBAOJTLXSEQ-GYSYKLTISA-N 317.353 -0.527 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 1015455773 JZGZDSWIAIAXHU-NSHDSACASA-N 314.353 -0.479 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CCN(C(=O)CCc3nc[nH]n3)[C@@H]2C1 1021332915 XBTPUEFOZNPUMG-SDDRHHMPSA-N 316.365 -0.044 30 20 DBED C=C1CC(C)(C(=O)N2C[C@@H](O)[C@H](NC(=O)Cc3cnc[nH]3)C2)C1 1025802855 JPYNWHYZQKTVCJ-CHWSQXEVSA-N 318.377 -0.004 30 20 DBED C#CCCN1CCC[C@@H]1CNC(=O)[C@H]1CN(C(C)=O)CCO1 1028295955 XABBZGFRJIUEAG-HUUCEWRRSA-N 307.394 -0.162 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2CCN([C@H](C)C(=O)NC)C2)nn1 1028852473 JNZNJDCZWWKSAX-VXGBXAGGSA-N 320.397 -0.350 30 20 DBED CN(C(=O)c1ccc(-n2cnnn2)cn1)[C@@H]1CCN(CC#N)C1 1033295820 NNKDMXZBKLPPAF-GFCCVEGCSA-N 312.337 -0.273 30 20 DBED C=C(C)CN1CCCC[C@H](NC(=O)c2cn(CC(N)=O)nn2)C1 1034545028 XIZYBWGVKZQQDV-LBPRGKRZSA-N 320.397 -0.076 30 20 DBED C#CCN1CCO[C@H](CNC(=O)[C@@H]2CCc3nncn3C2)C1 1035608611 HPEMTLSTTOBGEL-CHWSQXEVSA-N 303.366 -0.709 30 20 DBED C#CCCCC(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2CCOC2)C1 1039572740 BZDIRWWGGMRZNR-CZUORRHYSA-N 308.378 -0.094 30 20 DBED Cn1cncc1C(=O)NC[C@@]1(O)CCN(C(=O)C#CC2CC2)C1 1040234142 FFYRMEQCHKZPKV-INIZCTEOSA-N 316.361 -0.473 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)CCCCC(N)=O)C1 1040913524 CRPSRCATPXVZGI-NHYWBVRUSA-N 324.381 -0.729 30 20 DBED CC#CCN1CC[C@@]2(CCN(C(=O)CN3CCNC(=O)C3)C2)C1 1041539436 HAQHIFJYIXUJJP-QGZVFWFLSA-N 318.421 -0.634 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(O)(CNC(=O)COC(C)C)C1 1041843846 SSZOTJOTDYUVKH-CQSZACIVSA-N 314.382 -0.572 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)CCN(C)CC)C1 1042047320 NGJVDCNQTWGFKM-UHFFFAOYSA-N 313.398 -0.780 30 20 DBED O=C(C#CC1CC1)NCC1(O)CN(C(=O)[C@@H]2CCCOCC2)C1 1042959244 VISXPVRIAJRVPY-CQSZACIVSA-N 320.389 -0.094 30 20 DBED C#CCN1CCC(C(=O)N(C)C2CN([C@H](C)C(=O)NC)C2)CC1 1044334982 CVJBBQNDECFSKU-CYBMUJFWSA-N 320.437 -0.391 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)C(C)(C)N2CCCC2)C1 1045564161 DBOBOEXJJWGHDL-GFCCVEGCSA-N 322.409 -0.290 30 20 DBED Cc1cc(=O)c(C(=O)NCC2(O)CN(C(=O)[C@@H](C)C#N)C2)c[nH]1 1045689601 LEZUZLPGHMGLLK-VIFPVBQESA-N 318.333 -0.854 30 20 DBED C#CCN1CC[C@H](N2CCN(C(=O)[C@H]3CCC(=O)N3)CC2)C1 1046013515 ZNTJNIRWWFXXKH-UONOGXRCSA-N 304.394 -0.883 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1 1047384540 XIDWNWMIFALBTF-MQYQWHSLSA-N 307.394 -0.572 30 20 DBED C[C@@H](NCc1nc(=O)n(C)[nH]1)[C@@H]1CCN(C(=O)C#CC2CC2)C1 1047849124 PPBIDZLVOWOKLH-DGCLKSJQSA-N 317.393 -0.152 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1CNCc1nnnn1C 1048253353 PDISUFHVZLPAGY-DGCLKSJQSA-N 302.382 -0.192 30 20 DBED N#CCN1C[C@H]2CN(C(=O)C[C@@H]3CCCS3(=O)=O)C[C@H]2C1 1048959553 LJVBEOCSVMFTJE-XQQFMLRXSA-N 311.407 -0.133 30 20 DBED N#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H]1CC(=O)NC1=O 1049933333 KNCJUOPNFYULOG-GRYCIOLGSA-N 304.350 -0.372 30 20 DBED N#CCN1C[C@@H]2CCCN(C(=O)[C@@H]3CCS(=O)(=O)C3)[C@@H]2C1 1050088527 FXOOBCHKHCZRIC-YNEHKIRRSA-N 311.407 -0.133 30 20 DBED C#CCCN1CCOC[C@@H]1CNC(=O)c1cc(C(N)=O)c[nH]1 1051189693 RGDUTWVOQVGTRR-LBPRGKRZSA-N 304.350 -0.433 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)c1cc(C(N)=O)ccn1 1051274359 WPEVKFUHECYKSW-LBPRGKRZSA-N 302.334 -0.756 30 20 DBED N#Cc1cncc(N2C[C@H](n3ccnn3)[C@H](NC(=O)C3CC3)C2)n1 1051396056 HUCBCFAKUPJROD-OLZOCXBDSA-N 324.348 -0.104 30 20 DBED O=C1NCCC[C@@H]1NC[C@H]1CN(C(=O)C#CC2CC2)CCO1 1051609146 OXYJPSSEELCHRQ-KBPBESRZSA-N 305.378 -0.505 30 20 DBED N#Cc1nccnc1N1CC[C@H](NC(=O)c2cc[nH]n2)[C@@H](O)C1 1051612447 LMBRUBOMFBEEPA-CABZTGNLSA-N 313.321 -0.559 30 20 DBED N#CCN1CC2(C1)CN(C(=O)c1cnn3ccncc13)CCO2 1053289455 ZZQJAWCVMLUMRK-UHFFFAOYSA-N 312.333 -0.220 30 20 DBED C=C(C)CN1CC2(C1)CN(C(=O)c1c[nH]c(=O)cn1)CCO2 1053397836 KKUYRMWXWLOKKW-UHFFFAOYSA-N 304.350 -0.127 30 20 DBED COc1ccnc(O)c1C(=O)N1CCOC2(CN(CC#N)C2)C1 1053509196 FHUVGUUSHWTBHT-UHFFFAOYSA-N 318.333 -0.154 30 20 DBED Cn1ccc(C(=O)NC[C@@H]2CCC3(CN(CC#N)C3)O2)cc1=O 1053619303 PBSPWODINTUSJG-ZDUSSCGKSA-N 316.361 -0.128 30 20 DBED C=CCCN1CC2(CC[C@H](CNC(=O)[C@H]3CNC(=O)N3)O2)C1 1053655356 JUGSLIGUVYFPLL-VXGBXAGGSA-N 308.382 -0.407 30 20 DBED CC[C@H](OC)C(=O)N(CCO)CCNC(=O)c1c[nH]c(C#N)c1 1057153620 DUZTWYJRIVAZLC-ZDUSSCGKSA-N 322.365 -0.138 30 20 DBED Cc1cc(C(=O)NCCN(CCO)C(=O)C#CC(C)C)nn1C 1057517274 NZIQJTVRGDDVRB-UHFFFAOYSA-N 320.393 -0.061 30 20 DBED N#Cc1nc(=N[C@H]2CCCN(C(=O)Cc3nc[nH]n3)C2)cc[nH]1 1057691438 UQGSVESZVYBUDO-JTQLQIEISA-N 312.337 -0.466 30 20 DBED N#Cc1nccc(N2CCC[C@@H](NC(=O)[C@@H]3COC(=O)N3)C2)n1 1058152659 YBNFMGTVNLSSOD-ZJUUUORDSA-N 316.321 -0.458 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)Cc1ccn(C)n1 1058652789 FLCIDPFSXZQBAU-LLVKDONJSA-N 307.354 -0.941 30 20 DBED CC(=O)N1CCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N 1058654592 BJYPREZGSVDWCM-AAEUAGOBSA-N 324.381 -0.906 30 20 DBED Cc1nc(C)c(C(=O)N(CCO)CCNC(=O)C#CC2CC2)[nH]1 1058863369 QRDWYWQPTFEIGN-UHFFFAOYSA-N 318.377 -0.009 30 20 DBED C[C@]1(C(=O)N2CC[C@H](N=c3cc[nH]cc3C#N)C2)CCNC1=O 1059063380 YPACNHDFAYHCQM-LRDDRELGSA-N 313.361 -0.086 30 20 DBED C[C@H](C#N)C(=O)NCC[C@@H]1CCN(C(=O)Cc2nc[nH]n2)C1 1060428272 FOJAZIPAQUSYPL-GHMZBOCLSA-N 304.354 -0.138 30 20 DBED C=CCO[C@H](C)C(=O)NC[C@H]1CC[C@H](NC(=O)C(N)=O)CC1 1060808635 WYCLETVUTCOLBF-IJLUTSLNSA-N 311.382 -0.146 30 20 DBED C=CC(C)(C)C(=O)NC[C@@H]1COCCN1C(=O)c1nnn(C)n1 1061755512 LPQNDNWSYAQSMD-SNVBAGLBSA-N 322.369 -0.621 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)c1cccnn1 1061848390 QIOYXAJZNXRQBA-WDEREUQCSA-N 303.322 -0.407 30 20 DBED CN(CC1CCN(C(=O)CC(N)=O)CC1)c1cnc(C#N)cn1 1062212129 ZOJCQVSGDHJITE-UHFFFAOYSA-N 316.365 -0.102 30 20 DBED N#Cc1nccc(N2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2COCCO2)n1 1062449213 IOCZAYJTRVPFJK-SRVKXCTJSA-N 315.333 -0.447 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)C(=O)NCC(F)F)CCC1 1063539669 VWTGNYVSQVMPEJ-QMMMGPOBSA-N 316.308 -0.318 30 20 DBED N#Cc1nccc(N2CCO[C@@H](CNC(=O)[C@H]3CCCO3)C2)n1 1063605149 CFULSHOJGWNPTO-NWDGAFQWSA-N 317.349 -0.151 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CN(C(=O)C2CCN(C)CC2)CCO1 1065305305 GBQZYWIJTWUPLS-JSGCOSHPSA-N 322.409 -0.169 30 20 DBED C#CCOCCC(=O)N[C@H]1CCCN(C(=O)c2cnn[nH]2)CC1 1066167886 XITUOVQCIOMYHK-LBPRGKRZSA-N 319.365 -0.045 30 20 DBED C#CCO[C@H](C)C(=O)N(C)CCCN(C)C(=O)[C@H]1CCNC1=O 1067431316 OYRQOOVJEWGLGI-OLZOCXBDSA-N 323.393 -0.532 30 20 DBED C#CCO[C@H](C)C(=O)N1CCOC2(CN(C(=O)CCOC)C2)C1 1068396250 JULKYERQXQMHSV-CYBMUJFWSA-N 324.377 -0.499 30 20 DBED C=CCCOCC(=O)N1CC2(C[C@@H](NC(=O)COC)CO2)C1 1068654699 PGTJLIPXNQDMRO-GFCCVEGCSA-N 312.366 -0.288 30 20 DBED C=CCCC(=O)N1CC2(C[C@H](NC(=O)CC(=O)NCC)CO2)C1 1068821783 PYWONCBVFYVRSQ-LBPRGKRZSA-N 323.393 -0.035 30 20 DBED CC#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2cnns2)C1 1069900576 KQJANNPIIUFWRS-MNOVXSKESA-N 317.378 -0.192 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(NC(=O)COC)CCOCC1 1069943914 PVQMDEHFLPKANF-CQSZACIVSA-N 314.382 -0.259 30 20 DBED C#CCCCC(=O)NC1(CNC(=O)CC(N)=O)CCOCC1 1070091734 BXAYBQMJNRJGTI-UHFFFAOYSA-N 309.366 -0.553 30 20 DBED CN1CCO[C@H](C(=O)N2C[C@H]3C[C@@H]4CN(CC#N)C[C@]3(C2)O4)C1 1070780463 VMUWXGZYHPZDSL-HGTKMLMNSA-N 320.393 -0.858 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)c4ccn(C)n4)C[C@@]3(C1)O2 1070889414 VYPIUEGRCMUGBV-WOSRLPQWSA-N 300.362 -0.031 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)c2cc(OC)no2)CC1 1070955069 JAVQWRVKVSNHGJ-UHFFFAOYSA-N 320.349 -0.420 30 20 DBED C=CCN1CC[C@]2(C1)CN(C(=O)Cn1cnnn1)C[C@@H](C)O2 1071134289 PMTWCKJJMRFXCG-OCCSQVGLSA-N 306.370 -0.449 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(C(=O)CCOC)C[C@@H]1C 1071432464 GWMHGQVIBUJODW-NWDGAFQWSA-N 309.366 -0.875 30 20 DBED C[C@@H]1CC[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)CN1CC#N 1071549842 VDORRURIILJEBA-VXGBXAGGSA-N 319.365 -0.960 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(C(=O)CCNC(N)=O)C[C@H]1C 1072067143 RPUCOLHRZBUFKQ-VXGBXAGGSA-N 308.382 -0.333 30 20 DBED C#CCOCCC(=O)N[C@H]1CN(C(=O)Cn2nccn2)C[C@H]1C 1072184710 ZGTWQHYLZBNZTC-OLZOCXBDSA-N 319.365 -0.719 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CCN(C(=O)[C@@H]2CCCO2)CC1 1074453259 VEKSFGZNMLGAOR-RYUDHWBXSA-N 309.366 -0.205 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CCN(C(=O)C2=CCOCC2)CC1 1074558266 AUQDZSGPGSXSPU-LBPRGKRZSA-N 321.377 -0.038 30 20 DBED C#CCOCCC(=O)N[C@@H](C)CCNC(=O)[C@H]1COCCO1 1075699640 OAXKALKWVNKBRC-QWHCGFSZSA-N 312.366 -0.547 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CN(Cc3nncs3)C[C@H]2O)[nH]1 1076898532 NTGLOIKDBJVWQF-GHMZBOCLSA-N 318.362 -0.287 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)C[C@H]2COc3ccccc3O2)C1 1077067127 NEWNVAIAYWRNIU-YNEHKIRRSA-N 317.345 -0.099 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2ccnn2CC(F)(F)F)C1 1077185201 PTPAZZHJFSIFEN-MWLCHTKSSA-N 316.283 -0.147 30 20 DBED C[C@@H](CCNC(=O)c1ccc(C(N)=O)nc1)NC(=O)[C@H](C)C#N 1077186700 KLFSJQLAWCEWRE-ZJUUUORDSA-N 317.349 -0.035 30 20 DBED Cn1cc(C(=O)N[C@@H]2CN(CC#N)C[C@H]2O)c(C2CCC2)n1 1077255521 FELITYJCGTXPLK-CHWSQXEVSA-N 303.366 -0.014 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)c2ccn(CCOC)n2)C1 1077360262 ZRVGCFFHIVNWIX-ZIAGYGMSSA-N 306.366 -0.672 30 20 DBED C#Cc1ccccc1CC(=O)N[C@@H](C)CCNC(=O)C(N)=O 1078116168 NOACQXIVVMVPEP-NSHDSACASA-N 301.346 -0.293 30 20 DBED C[C@@H](C#N)C(=O)NC1(CO)CCN(C(=O)[C@@H]2CCCO2)CC1 1080980159 LSRQQPKMQZTUFD-RYUDHWBXSA-N 309.366 -0.205 30 20 DBED C#CCOCCC(=O)N1C[C@H](CNC(=O)CSC)[C@@H](O)C1 1081236947 IVULWVBTMZPJAZ-RYUDHWBXSA-N 314.407 -0.675 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)CCCN(C)C)C[C@H]1O 1081465417 GWZZJUWCVQUTFG-HUUCEWRRSA-N 323.437 -0.077 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2ccn(C)n2)C1 1081495754 AKZGAZVESGTNFY-OCCSQVGLSA-N 318.377 -0.227 30 20 DBED C=CCCN1C[C@@H](NC(=O)c2nnc(O)nc2O)[C@H](OC)C1 1081899561 XYTAJKFSYQQBCR-RKDXNWHRSA-N 309.326 -0.712 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@H]2CN(C(C)C)CCO2)[C@H](OC)C1 1082063980 NFOORQBOAUQNGH-RBSFLKMASA-N 309.410 -0.456 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@@]2(C)CCN(C(C)=O)C2)C1 1083928906 GJRBMPAVAKPZII-YCPHGPKFSA-N 307.394 -0.571 30 20 DBED C#CCCN1CC[C@@H]2CN(C(=O)[C@@H]3CCS(=O)(=O)N3)[C@@H]2C1 1084838315 DILNKZZKPUUNCI-FRRDWIJNSA-N 311.407 -0.766 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2[nH]nnc2C)C[C@H]1c1cnn(C)c1 1086990852 XWSDFHYQWBUCMJ-QWHCGFSZSA-N 313.365 -0.322 30 20 DBED N#Cc1ccc(C(=O)N2C[C@H]3CCN(CC(N)=O)C[C@H]3C2)[nH]1 1087938933 RFRVVVFFJNEGOX-MNOVXSKESA-N 301.350 -0.234 30 20 DBED CC#CCN1CC[C@H](NC(=O)[C@H]2CN(C(C)=O)CCO2)[C@H]1C 1089014712 JLGPWELEKRJGAU-VHDGCEQUSA-N 307.394 -0.164 30 20 DBED C=CCN1CC[C@@H](NC(=O)c2nc(C)c(C)[nH]c2=O)[C@@H](O)C1 1090353183 ZBUARZUBPZFGBY-NEPJUHHUSA-N 306.366 -0.262 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(c2nc(CC)ns2)C[C@H]1O 1090392127 QFWFQYLCILFAQM-NXEZZACHSA-N 312.395 -0.031 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)Cc2cn(CC)nn2)[C@@H](O)C1 1090441156 IWQYVJBFHMJVDY-KBPBESRZSA-N 307.398 -0.032 30 20 DBED C=CCN1CC[C@H](NC(=O)c2cnn(CCN(C)C)c2)[C@@H](O)C1 1090636040 BXKHFLZFYRIZJN-GJZGRUSLSA-N 321.425 -0.204 30 20 DBED COC[C@H](C)C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1091088375 CSPMRYYAMQLZQC-AXFHLTTASA-N 305.338 -0.704 30 20 DBED C[C@]1(CNC(=O)CC(N)=O)CN(c2ncccc2C#N)CCO1 1092735880 NQXIIROISGSNGH-HNNXBMFYSA-N 317.349 -0.460 30 20 DBED CN(C)C(=O)CC(=O)N[C@H]1[C@@H]2CN(c3ccnc(C#N)n3)C[C@@H]21 1093354599 AFSULJNNSHFEDP-RTUWITSCSA-N 314.349 -0.623 30 20 DBED Cc1ccc(=O)n(CC(=O)NCCNc2ccc(C#N)nn2)n1 1093770644 AXUFNVLBNCDUDW-UHFFFAOYSA-N 313.321 -0.558 30 20 DBED N#Cc1c(F)cccc1NCCNC(=O)CN1CCNC(=O)C1 1094057468 VPSRDDNWFOFOOC-UHFFFAOYSA-N 319.340 -0.343 30 20 DBED COCC(=O)N[C@H](C)C(=O)NCCNc1cncc(C#N)n1 1094185591 TYJQROBIWYDFIC-SECBINFHSA-N 306.326 -0.973 30 20 DBED Cc1nc(CC(=O)NCCCN(C)c2cncc(C#N)n2)n[nH]1 1095549557 ODXNLYOIVKMJCE-UHFFFAOYSA-N 314.353 -0.040 30 20 DBED C[C@@H](C(=O)N1CCC(N(CC#N)CCO)CC1)N1CCOCC1 1098586501 GXNHDCUOQUXPRV-AWEZNQCLSA-N 324.425 -0.484 30 20 DBED N#CCNCc1cn([C@H]2CCN(C(=O)Cn3cccn3)C2)nn1 1098611679 OWHNEGHYGNYLET-ZDUSSCGKSA-N 314.353 -0.439 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)c2ccsn2)[C@H](O)C1 1099887270 BTZJNGNQQUBHOQ-CMPLNLGQSA-N 324.406 -0.390 30 20 DBED C=CCN1CC[C@H](NC(=O)COCc2nccn2C)[C@H](O)C1 1099887588 HTYMRKWBPWYYRU-QWHCGFSZSA-N 308.382 -0.326 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)Cc2ccco2)[C@H](O)C1 1100041559 KYDQVVNPLKYCBZ-UONOGXRCSA-N 321.377 -0.324 30 20 DBED COCC#CCN1CC[C@H](NC(=O)C23CCN(CC2)C3)[C@@H](O)C1 1100074420 NHAYENJLWRTISJ-GJZGRUSLSA-N 321.421 -0.717 30 20 DBED C#CCCN1CC[C@H](NC(=O)CCc2cnn(C)c2)[C@H](O)C1 1100124459 IHQIZXTXJSTTLH-LSDHHAIUSA-N 304.394 -0.073 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)CC2OCCCO2)C1 1100277626 YTCDWHQSFNHKJA-UHFFFAOYSA-N 323.393 -0.627 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CC(CNC(=O)c2cncn2C)C1 1100482544 MIYOBMYODNZJGV-PNESKVBLSA-N 317.393 -0.344 30 20 DBED CCN(CCNC(=O)CCNC(N)=O)c1ncccc1C#N 1100529176 MICKWQSEMHQFTN-UHFFFAOYSA-N 304.354 -0.046 30 20 DBED CCn1ccc(C(=O)NCC2CC(NCC(=O)NCC#N)C2)n1 1100729839 RVGAAHQJNIQIIY-UHFFFAOYSA-N 318.381 -0.359 30 20 DBED CN(CCNc1ccc(C#N)nn1)C(=O)C[C@H]1CC(=O)NC1=O 1101680457 MVRHAWJOVCKWJB-SECBINFHSA-N 316.321 -0.729 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(C)nn1 1102547846 RJYJPDYQWGTVLZ-STQMWFEESA-N 313.361 -0.286 30 20 DBED CNC(=O)CC(=O)N[C@](C)(CN=c1cc[nH]c(C#N)n1)C1CC1 1103518201 NJXXFLXGKVXADV-OAHLLOKOSA-N 316.365 -0.397 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)[C@@H]1COC(=O)N1 1103945716 YPOXKDJIFWAIEI-IUCAKERBSA-N 304.310 -0.957 30 20 DBED C=CCNCc1cn(C2CN(C(=O)Cn3nccn3)C2)nn1 1105246928 JOFZFOZFNFGXEF-UHFFFAOYSA-N 302.342 -0.771 30 20 DBED C=C(C)CNCc1cn(C2CN(C(=O)[C@@H](C)CC(N)=O)C2)nn1 1105300715 BPUFYJTWGPJSRJ-NSHDSACASA-N 320.397 -0.161 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)c2nccnc2N)cn1 1105766127 PMMCEDWHBHACGI-LLVKDONJSA-N 313.321 -0.472 30 20 DBED C[C@@H]1CN(C(=O)c2ccc[nH]2)C[C@H]1CNCC(=O)NCC#N 1105817511 LJGCIKYVMJJTGT-VXGBXAGGSA-N 303.366 -0.048 30 20 DBED C=CCCCC(=O)NC[C@H](O)CNc1nccn2nnnc12 1106072212 AVSNRHQKFPEQKW-JTQLQIEISA-N 305.342 -0.235 30 20 DBED CCN(CCNc1cncc(C#N)n1)C(=O)[C@@H]1CCNC1=O 1106910302 YIKGGYGHCWWMDN-LLVKDONJSA-N 302.338 -0.255 30 20 DBED Cn1c(C(=O)NC/C=C/CN=c2cc[nH]c(C#N)n2)cnc1O 1107450590 GRQAKCHROCKIPG-NSCUHMNNSA-N 313.321 -0.393 30 20 DBED N#Cc1c[nH]ccc1=NC/C=C/CNC(=O)c1c[nH]c(=O)cn1 1107490383 FXYWMXLVANDEFI-OWOJBTEDSA-N 310.317 -0.143 30 20 DBED C[C@H](CNc1cncc(C#N)n1)NC(=O)C[C@@H]1CC(=O)NC1=O 1107826274 YQHGQYVQHIJKBY-RKDXNWHRSA-N 316.321 -0.682 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)c2cnc(N(C)C)cn2)C1 1107946182 QMDBFKMHHSBQIE-MRXNPFEDSA-N 317.393 -0.004 30 20 DBED C=CCn1cccc1C(=O)NC[C@@]1(C)CN(CC(N)=O)CCO1 1107999116 XSQPUMKKHJUDSY-INIZCTEOSA-N 320.393 -0.020 30 20 DBED C[C@@H](CNc1ncnc2c1nnn2C)NC(=O)CSCC#N 1108254380 DNLZKNMLAFJHAY-QMMMGPOBSA-N 320.382 -0.068 30 20 DBED C[C@@]1(CNC(=O)c2cc(C(N)=O)c[nH]2)CN(CC#N)CCO1 1108304904 PUWNXGUHWGTEAC-CQSZACIVSA-N 305.338 -0.542 30 20 DBED CSCCC(=O)N1CCN(CC#N)[C@H]2CS(=O)(=O)C[C@H]21 1108455518 LXJBCGLESQVXKY-WDEREUQCSA-N 317.436 -0.427 30 20 DBED COCC#CCN1CC(N2C[C@H](NC(=O)C(C)C)CC2=O)C1 1108507975 VBLJIZSRNJGFST-CYBMUJFWSA-N 307.394 -0.307 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)[C@@H](C3CC3)N(C)C)CC2=O)C1 1108552570 PAZSKVGJSBRHKN-XJKSGUPXSA-N 318.421 -0.639 30 20 DBED C[C@@H](CNc1cnc(C#N)cn1)NC(=O)[C@@H]1CCS(=O)(=O)C1 1108603998 BARXLASAWHKIHY-VHSXEESVSA-N 323.378 -0.300 30 20 DBED COC(=O)NCC(=O)N[C@H](C)CN(C)c1cnc(C#N)cn1 1108832036 MYDDEDYSAHFBSF-SECBINFHSA-N 306.326 -0.355 30 20 DBED COCCOCC(=O)N[C@H](C)CN(C)c1ccnc(C#N)n1 1108882330 ORBYEXRVRVWRQJ-LLVKDONJSA-N 307.354 -0.048 30 20 DBED C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2[C@H](C)C(=O)NC(N)=O 1109066264 YCJVHNMTMDGJDY-WYUUTHIRSA-N 324.381 -0.506 30 20 DBED CC(=O)NCC(=O)N[C@@H]1[C@H]2C[C@H]1N(c1nccnc1C#N)C2 1109671051 RPGUQGSAHXFGHL-UFGOTCBOSA-N 300.322 -0.822 30 20 DBED CS(=O)(=O)CC(=O)N[C@H]1[C@H]2C[C@H]1N(c1cncc(C#N)n1)C2 1109692710 CSKRZPFFGICJQO-PLMOITTCSA-N 321.362 -0.914 30 20 DBED CNC(=O)CC(=O)N[C@@]1(C)CCN(c2cnc(C#N)cn2)C1 1110745380 IXFUUBKWNQCAFN-AWEZNQCLSA-N 302.338 -0.431 30 20 DBED CC(C)(NS(C)(=O)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC#N 1111112647 XSBPBSLKZNHGJI-MXWKQRLJSA-N 314.411 -0.441 30 20 DBED CNC(=O)C1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC#CCOC)CC1 1111143995 JPTOHSAJWKKDGZ-MCIONIFRSA-N 319.405 -0.116 30 20 DBED C=CCOCC(=O)NC[C@@H]1COCCN1c1nccnc1C#N 1111671871 PHOUQTOYCJXRHF-GFCCVEGCSA-N 317.349 -0.128 30 20 DBED CN(CCCN(C)c1ccc(C#N)nn1)C(=O)Cn1nccn1 1112129942 PSZHPWIGIHDLJP-UHFFFAOYSA-N 314.353 -0.075 30 20 DBED C[C@@H]1CN(c2nccnc2C#N)CC[C@@H]1NC(=O)CC(N)=O 1112395140 GTANREGOOVELFG-ZJUUUORDSA-N 302.338 -0.445 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)CN(C)C(C)=O)CC1 1112627561 OEWTWCZNMWZLOZ-GFCCVEGCSA-N 310.398 -0.700 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)C(=O)C(C)(C)C)CC1 1112719728 RRNLZUCCXUNOKE-GFCCVEGCSA-N 307.394 -0.116 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCN(CCN2C(=O)CCC2=O)CC1 1112804833 UFMWAVSQKHFNQL-INIZCTEOSA-N 323.393 -0.393 30 20 DBED C[C@H](Nc1ccc(C#N)nn1)[C@@H](C)NC(=O)CCNC(N)=O 1113039773 VDPZBZSWRRLYMY-DTWKUNHWSA-N 305.342 -0.288 30 20 DBED C[C@H](C(=O)N1CCN(CC(=O)NCC#N)CC1)[C@H]1CCCO1 1113317953 IJTCKQFQDBWATH-QWHCGFSZSA-N 308.382 -0.415 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)COCCC)[C@H]2C1 1113996103 OINFWSVSSQCFCP-AVGNSLFASA-N 307.394 -0.403 30 20 DBED N#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3cccc(O)n3)[C@H]2C1 1114101514 QXWKPHAQLKGORL-MSRIBSCDSA-N 315.333 -0.913 30 20 DBED Cc1ccnc(C(=O)N[C@H]2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]32)n1 1114189235 LDSAZKCWZBJKRO-PJXYFTJBSA-N 314.349 -0.915 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)[C@H](C(C)C)N(C)C)[C@H]2C1 1114440461 SVEAEZFEIXRMSP-XEZPLFJOSA-N 322.453 -0.079 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)COCC(F)F)[C@@H]2C1 1114619059 PQEPBJUTVDLONU-GHMZBOCLSA-N 302.321 -0.036 30 20 DBED C=C(C)CCN1C[C@H]2[C@H](NC(=O)CNS(=O)(=O)NC)[C@H]2C1 1114624384 QSCKXEZGMIYIRH-PJXYFTJBSA-N 316.427 -0.947 30 20 DBED COCC#CCN1CCC[C@H]1[C@H]1CCCN(C(=O)C(N)=O)C1 1120423484 VAANPYNFTPUNDF-KBPBESRZSA-N 307.394 -0.176 30 20 DBED CC[C@H](OC)C(=O)NC[C@H](CO)N=c1cc(C)[nH]cc1C#N 1121182801 DYPSUXFTSCHJPQ-OCCSQVGLSA-N 306.366 -0.002 30 20 DBED N#Cc1cnc(N[C@H](CO)CNC(=O)[C@@]2(F)CCOC2)cn1 1122411519 QOPSLKGUCQYCPD-GXFFZTMASA-N 309.301 -0.634 30 20 DBED CC(C)OCC(=O)N(C)C[C@@H](O)CN=c1cc[nH]c(C#N)n1 1124135929 VAFGNGINJXBDFU-NSHDSACASA-N 307.354 -0.574 30 20 DBED CN(C[C@@H](O)CNc1cncc(C#N)n1)C(=O)c1cn(C)nn1 1124296001 ROWIIHPFPYOLKT-JTQLQIEISA-N 316.325 -0.978 30 20 DBED CS(=O)(=O)CC(=O)NCCNCc1cc(C#N)ccc1F 1124363052 WAIKEAALGGMDCY-UHFFFAOYSA-N 313.354 -0.052 30 20 DBED Cc1nonc1C(=O)N(C)C[C@H](O)CNc1cncc(C#N)n1 1124398962 HHQCHLCMJPHIBW-SNVBAGLBSA-N 317.309 -0.415 30 20 DBED C[C@@H](C#N)C(=O)NCCNCc1nnc(S(C)(=O)=O)s1 1124897288 SEZXHRNKJSPTER-ZETCQYMHSA-N 317.396 -0.693 30 20 DBED C#CCNC(=O)CC(=O)NCCNCc1nnc(C2CC2)s1 1125998219 MYZIESXFVXVTMO-UHFFFAOYSA-N 321.406 -0.239 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)[C@H]2CN3CCC2CC3)C1=O 1127481772 WREUQLAJAVIGOD-LSDHHAIUSA-N 320.437 -0.179 30 20 DBED CN(CCOCCNc1cnc(C#N)cn1)C(=O)c1cnn[nH]1 1127515301 SAEBUBVBGSQKQK-UHFFFAOYSA-N 316.325 -0.333 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1ccnn1C(F)F 1128227694 BHHFRQLKCFMSDY-UHFFFAOYSA-N 300.269 -0.763 30 20 DBED C#CCN1CCn2ncc(CNC(=O)CC(=O)NCC)c2C1 1128312934 XSLKNVPPFWSHLB-UHFFFAOYSA-N 303.366 -0.526 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)CN(C)C(=O)C(C)C)C1=O 1128590970 ZDTSJVQCCVMAGZ-CYBMUJFWSA-N 324.425 -0.407 30 20 DBED C#CCCN[C@@H]1CN(C(=O)CSCC#N)C[C@@H]1n1ccnn1 1129603528 AXZWZSPOOJZFSE-OLZOCXBDSA-N 318.406 -0.100 30 20 DBED C=CCOCCNCCNC(=O)[C@@H]1CCc2nnc(O)n2C1 1130445598 SEUFJRVYWOYKGR-LLVKDONJSA-N 309.370 -0.546 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@H]1CCc2nc(C)[nH]c2C1 1130491401 RUQBBVZNSHKPHE-LBPRGKRZSA-N 317.393 -0.722 30 20 DBED C=CCN1C[C@@H](F)C[C@@H]1c1n[nH]c(CNC(=O)CC(N)=O)n1 1131147352 SNUVDIXTSIAKKP-DTWKUNHWSA-N 310.333 -0.433 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)[C@@H](C)CC(N)=O)C[C@@]3(C1)O2 1131251793 CRNUPLCYQOVMNP-BCUIYNNISA-N 305.378 -0.567 30 20 DBED COCCOCC(=O)N1C[C@@H](C)O[C@@]2(CCN(CC#N)C2)C1 1131641968 KIFBCGVKZNWCEP-UKRRQHHQSA-N 311.382 -0.135 30 20 DBED C[C@@H]1CCN(C(=O)CCN(C)C)C[C@@H]1CNCC(=O)NCC#N 1133091603 SQFUSXODRSQXCO-KGLIPLIRSA-N 323.441 -0.348 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)c2cn(C)c(O)n2)C1=O 1133335012 HLIHMAGNXWWQNK-SNVBAGLBSA-N 307.354 -0.768 30 20 DBED C[C@@H](C[C@H](C)NC(=O)CCn1cccn1)NCC(=O)NCC#N 1133726766 OLKGLOVZNBFAKF-STQMWFEESA-N 320.397 -0.214 30 20 DBED COCC#CCNCCNC(=O)Cn1c(C)cc(C)nc1=O 1135832982 GJRHGPPWVFFPIE-UHFFFAOYSA-N 306.366 -0.784 30 20 DBED N#CCNC(=O)CN1CCC2(C1)CN(C(=O)[C@H]1CCCO1)C2 1146933549 JMOLUKNYEQZGKO-GFCCVEGCSA-N 306.366 -0.661 30 20 DBED C#CCN1CCC2(C1)CN(C(=O)CNC(=O)N1CCCC1)C2 1147529810 BCBMBGBCMPSGLQ-UHFFFAOYSA-N 304.394 -0.041 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)C2(C(=O)NC)CCC2)C1=O 1148628210 ARNRFCDGPXZSTM-GFCCVEGCSA-N 322.409 -0.605 30 20 DBED COCC#CCN1CCCO[C@@H](CNC(=O)c2nonc2C)C1 1150818679 SYYHYDXBNIEZQK-ZDUSSCGKSA-N 322.365 -0.151 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)[C@]1(C)CCC(=O)N1 1155090018 WCKKPSXBUVDCOS-WBMJQRKESA-N 322.409 -0.769 30 20 DBED C=CCCC(=O)NCCCNCC(=O)N[C@H](C)C(=O)N(C)C 1155601434 AOYSURFILXTSLT-GFCCVEGCSA-N 312.414 -0.359 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)C[C@H]1CCC(=O)N1 1155782101 ATOBJPVKJRULGU-VXGBXAGGSA-N 323.397 -0.879 30 20 DBED C#CCNC(=O)CC(=O)NCCCNCc1snnc1C 1156847827 ILTRYNRLEKTEPG-UHFFFAOYSA-N 309.395 -0.418 30 20 DBED C#CCNC(=O)CC(=O)NCCCN[C@@H](C)c1n[nH]c(C)n1 1156848129 SMDVHYLZAJLJJX-JTQLQIEISA-N 306.370 -0.590 30 20 DBED C#CCNC(=O)CC(=O)NCCCNCC(=O)N[C@H](C)C(C)C 1156857144 FHYCMSDFARVBSI-CYBMUJFWSA-N 324.425 -0.618 30 20 DBED C=CCN1CC=C(CCNC(=O)CN2CCNC(=O)C2)CC1 1160860059 BCLBKJXWOAAWSO-UHFFFAOYSA-N 306.410 -0.257 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)c2[nH]nnc2C)C1=O 1163744017 GGGJKJULNHRMTH-LLVKDONJSA-N 306.370 -0.390 30 20 DBED N#CCNC(=O)CNCCCNC(=O)c1conc1C1CC1 1166433093 XVICQAYVQIVQNF-UHFFFAOYSA-N 305.338 -0.099 30 20 DBED C=CCOCCNCCCNC(=O)CCn1cc[nH]c(=O)c1=O 1168511981 FLPFMBBKCNEAIW-UHFFFAOYSA-N 324.381 -0.775 30 20 DBED C#Cc1ccc(C(=O)NCCCNCCNS(C)(=O)=O)cn1 1171594677 KOSUFVHEDAHJFH-UHFFFAOYSA-N 324.406 -0.678 30 20 DBED C=CCN1CCO[C@@H]2CCN(C(=O)CCNC(=O)NC)C[C@@H]21 1176999099 DQGXSGIHBWGCDI-QWHCGFSZSA-N 310.398 -0.207 30 20 DBED C#CCNC[C@@H]1C[C@H]2CC[C@H]1N(C(=O)CCNC(=O)COC)C2 1177782760 CCOVBYOWFAIKIY-QLFBSQMISA-N 321.421 -0.011 30 20 DBED Cc1nn[nH]c1C(=O)NCCCCCCNCC(=O)NCC#N 1179198521 OPPHNPHIPHJRCM-UHFFFAOYSA-N 321.385 -0.367 30 20 DBED CC#CCNCCCCCCNC(=O)C[C@H](NC(C)=O)C(N)=O 1179753365 LHYININQWVHBQI-AWEZNQCLSA-N 324.425 -0.344 30 20 DBED C=CCOCCN[C@H]1CCN(C(=O)CCn2cnnn2)[C@H]1C 1179779525 QPVHTDHBFUBAAM-STQMWFEESA-N 308.386 -0.155 30 20 DBED C=C(C)CCN[C@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)[C@H]1C 1180211438 HNKLWSJDGLBJEE-RYUDHWBXSA-N 320.397 -0.078 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)C2(COC)CCC2)C1 1184389937 VVLNJHYRBNTCOP-CYBMUJFWSA-N 307.394 -0.257 30 20 DBED C#CCCNC[C@@H]1CCN(C(=O)CS(=O)(=O)NC)C[C@H]1C 1185718197 GNDQNOHMACPEFM-OLZOCXBDSA-N 315.439 -0.367 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H]2CN([C@H](C)COC)C[C@H]21 1187598499 QKCSEKFJQZWFIO-HZSPNIEDSA-N 307.394 -0.307 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC[C@H]2CN(CC(=O)NC(N)=O)C[C@H]21 1187764391 YWCUFQXECONBFX-RWSFTLGLSA-N 324.381 -0.959 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)[C@]3(F)CCOC3)[C@@H]2C1 1188925889 HOPFSGNIAULIKS-ZENOOKHLSA-N 323.368 -0.603 30 20 DBED CN(CC(=O)NCC#N)[C@H]1CCN(C(=O)[C@H]2CC2(F)F)C1 1189997227 ZTYBPIDPDOINEW-VHSXEESVSA-N 300.309 -0.186 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)CCCCC)C1 1191063375 ZGWAKPORQIWIOS-MGPQQGTHSA-N 309.410 -0.134 30 20 DBED CC[C@H](C)C(=O)N[C@@H]1CN(CC(=O)N(CC)CCC#N)C[C@H]1O 1191096917 NVXQIXYYPFPXOG-BFHYXJOUSA-N 324.425 -0.044 30 20 DBED C=CC(C)(C)CC(=O)N[C@@H]1CN([C@@H]2CCN(C)C2=O)C[C@H]1O 1193345118 LOQGDWPXUATSOS-JHJVBQTASA-N 309.410 -0.019 30 20 DBED C#CCNC(=O)[C@H](C)N1CCCN(C(=O)C2=COCCO2)CC1 1194725267 BNPZFFDSKQHLCM-ZDUSSCGKSA-N 321.377 -0.453 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCCN(C(=O)[C@@H](C)NC(C)=O)CC1 1194738715 BNUZQCWWYXKBBK-CHWSQXEVSA-N 322.409 -0.817 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@H](CCCC)NC(N)=O)C1 1199344748 HPWRECUKKHYEFG-YNEHKIRRSA-N 310.398 -0.602 30 20 DBED N#CCNC(=O)CN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)c1cnn[nH]1)C2 1204520543 SBVDPGNPQUPLQB-CKYFFXLPSA-N 317.353 -0.973 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)c2ccc(O)nn2)[C@H](C)C1 1205847557 NXKOPNOZILVQMF-ZYHUDNBSSA-N 319.365 -0.466 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2ccnc(O)c2)[C@H](C)C1 1206867166 NKWYFVKMCANZJK-DGCLKSJQSA-N 316.361 -0.413 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(CC(=O)NCC=C)C[C@H]1C 1206963486 GMJMHCMWSJDVSC-HZSPNIEDSA-N 307.394 -0.237 30 20 DBED C#CCC1(C(=O)N[C@@H]2CN(CC(=O)NC)C[C@H]2C)CCOCC1 1207485098 XKYFNOLGDBDIRA-ZIAGYGMSSA-N 321.421 -0.011 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCCN(C(=O)CNC(=O)OC)C1 1207544012 GDLFBODIXPZIHU-NWDGAFQWSA-N 324.381 -0.939 30 20 DBED CCN(C)C(C)(C)C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1207757600 HFKQQYNUZBYMHL-CHWSQXEVSA-N 323.441 -0.207 30 20 DBED C=CCNC(=O)[C@H](C)N[C@H]1CCCN(C(=O)CC(=O)NCC)C1 1207877510 JPZZJBOUXOAQTJ-STQMWFEESA-N 324.425 -0.216 30 20 DBED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)c1ccco1 1211765020 ZKULNIBNHZNIIA-ZYHUDNBSSA-N 306.322 -0.652 30 20 DBED COCC#CCN1C[C@@H](NC(=O)[C@H]2CCCCN2C)[C@H](OC)C1 1212465014 AIVXIMIVMREMIF-BZUAXINKSA-N 323.437 -0.064 30 20 DBED COCC#CCN1C[C@@H](NC(=O)Cn2cncc2C)[C@H](OC)C1 1213166316 OSZXTGIOOFHMGY-HUUCEWRRSA-N 320.393 -0.343 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)C[C@H]2CCCO2)C[C@H]1C 1214193823 QBWQXRPKQNOAJN-MGPQQGTHSA-N 307.394 -0.259 30 20 DBED C#CCCN[C@@H]1CN(C(=O)[C@H](C)N2C(=O)CCC2=O)C[C@H]1C 1214775568 MPHCLFAHKGOBFV-FRRDWIJNSA-N 305.378 -0.016 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCO[C@@H]2CN(CC(=O)NC)C[C@@H]21 1219063846 ILSMJIMQYSEUNO-RWMBFGLXSA-N 311.382 -0.765 30 20 DBED C=CCCC(=O)N[C@@H]1CN(CCN2C(=O)CCC2=O)C[C@@H]1O 1219346183 FFKLEENBEABNBN-NEPJUHHUSA-N 309.366 -0.737 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)c2coc(C)c2)C1 1219513415 RTPWRBPDNMHJMV-YUTCNCBUSA-N 319.361 -0.499 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)C#CC(C)(C)C)C1 1219589235 UUZSKNJAPZIXDO-MCIONIFRSA-N 319.405 -0.665 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C2(C)C[C@H]3C[C@@H]3C2)C1 1220052043 QAAHHEGUPRFAIL-SYQHCUMBSA-N 319.405 -0.667 30 20 DBED N#CCNC(=O)CN1CCC(NC(=O)C[C@@H]2COC(=O)C2)CC1 1226875605 ISYAWJTYHINWRK-NSHDSACASA-N 322.365 -0.840 30 20 DBED CCN(CC#N)C(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1 1255908686 DGSKWMFQQOTSBY-UHFFFAOYSA-N 310.335 -0.355 30 20 DBED C[S@@](=O)C1(CNC(=O)C(=O)N2CCO[C@@H](C#N)C2)CCC1 1261198621 QTJVFYYOWYOQJW-CHNSCGDPSA-N 313.379 -0.845 30 20 DBED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NCCC(=O)N(C)C 1321857720 RKXVWCDGZYXUEQ-WCQYABFASA-N 311.382 -0.322 30 20 DBED N#CCNC(=O)CNS(=O)(=O)c1c[nH]c(C(F)(F)F)c1 1323866909 MISFNCWKACUKEV-UHFFFAOYSA-N 310.257 -0.048 30 20 DBED C=C(C)COCCNC(=O)C(=O)N1CCN2CCOC[C@H]2C1 1324309860 UPAGMJJLGIQEBI-CYBMUJFWSA-N 311.382 -0.762 30 20 DBED C=CCCCNC(=O)C(=O)N1CCC([C@@H](O)C(=O)OC)CC1 1327138133 PJMWTWQZDDWWPK-GFCCVEGCSA-N 312.366 -0.159 30 20 DBED C=CCn1cc(CNC(=O)C(=O)NCCN(C)[C@H](C)CC)nn1 1328082335 WGMQGQLJFSWLDM-GFCCVEGCSA-N 322.413 -0.073 30 20 DBED CC(C)[C@@H](OC(=O)CCN/C(O)=C1\N=CC=CC1=O)C(N)=O 1329380707 USAYSFVGIZNIAZ-SLQMCABGSA-N 309.322 -0.044 30 20 DBED C[C@@H]1CNCCN1C(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1329454434 QYDDKDIIKSDLNU-YPMHNXCESA-N 305.382 -0.995 30 20 DBED COCC#CC(=O)NC[C@H](O)CS(=O)(=O)c1cccs1 1331152138 HCDGWVJBZJCKNB-JTQLQIEISA-N 317.388 -0.351 30 20 DBED C#CC1(O)CN(CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 1336476610 JBWAASBDOWGNGZ-UHFFFAOYSA-N 323.393 -0.254 30 20 DBED C=CCn1c([C@@H]2CCC(=O)NC2)nnc1N1CCNC(=O)C1 1339744498 MDCYKYHDXJRTLU-SNVBAGLBSA-N 304.354 -0.606 30 20 DBED Cc1ccc(C(=O)NCCn2cc(C#N)c(O)nc2=O)n1C 1363289298 WOFVFYYDVQZTRJ-UHFFFAOYSA-N 301.306 -0.103 30 20 DBED C[C@H](CCNC(=O)[C@H]1CCC(=O)N1)NC(=O)c1ccc(C#N)[nH]1 1373257325 UXTOSKNWDWUJFY-MWLCHTKSSA-N 317.349 -0.210 30 20 DBED CCN(CCNC(=O)[C@H](C)C#N)C(=O)CNS(=O)(=O)CC 1398138440 QDHSIHWORDBVLS-SNVBAGLBSA-N 318.399 -0.950 30 20 DBED C=C(Cl)CN1CCC[C@@H]1CNC(=O)CS(=O)(=O)NC 1399895088 KGPQNAHVESABFZ-SNVBAGLBSA-N 309.819 -0.131 30 20 DBED C=C(Cl)CNC[C@H](C)N(C)C(=O)c1cn(CC(N)=O)nn1 1405912209 KZHLFNSCMBUSQV-VIFPVBQESA-N 314.777 -0.434 30 20 DBED CC[C@H](CNC(=O)CN(C)S(C)(=O)=O)NC(=O)[C@H](C)C#N 1409296997 OEPCPROMNSGZHX-NXEZZACHSA-N 318.399 -0.952 30 20 DBED COCC1(CNC(=O)Cn2cc(C#N)c(O)nc2=O)CCC1 1412061816 AAGXOYPFXWBWEA-UHFFFAOYSA-N 306.322 -0.247 30 20 DBED N#CC[C@]1(O)CCN(C(=O)c2ccc(CS(N)(=O)=O)cc2)C1 1418179647 SHHYGQFPYAJQCD-AWEZNQCLSA-N 323.374 -0.034 30 20 DBED CC[C@@H](C)NC(=O)CN1CCN(CCNC(=O)[C@H](C)C#N)CC1 1419136455 XSWVBWQMQQITOM-ZIAGYGMSSA-N 323.441 -0.205 30 20 DBED N#Cc1cnn2c(O)cc(CNC3(CO)CCOCC3)nc12 1421496166 QZHZVGSRBZGHJM-UHFFFAOYSA-N 303.322 -0.062 30 20 DBED COCCN(CCNC(=O)[C@H](C)C#N)C(=O)[C@H](C)NC(C)=O 1426069987 GDMCTULQPPKRTF-MNOVXSKESA-N 312.370 -0.738 30 20 DBED COC(=O)NCC(=O)NCC[C@@H](C)NC(=O)c1c[nH]c(C#N)c1 1430962792 QFRGCTXERHVKHV-SECBINFHSA-N 321.337 -0.133 30 20 DBED C[C@H](CCNC(=O)c1cccc(C(N)=O)n1)NC(=O)[C@H](C)C#N 1431046473 XFRKTTDVGAOJJQ-NXEZZACHSA-N 317.349 -0.035 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1cccn2ccnc12 1431574231 VJRWZCQBUIVSKQ-GHMZBOCLSA-N 315.333 -0.299 30 20 DBED CNC(=O)[C@H](C)CN(C)C(=O)CCn1cc(C#N)c(O)nc1=O 1433773147 ODGSDKHGKKHKQG-SECBINFHSA-N 321.337 -0.949 30 20 DBED C[C@H](C#N)C(=O)NCCN(C)C(=O)[C@@H]1CCCCS1(=O)=O 1449199289 YUVORAHBXVQUHM-MNOVXSKESA-N 315.395 -0.312 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](C1CC1)N(C)C(=O)Cn1cnnn1 1450797810 GJQDRRUSYXQMIC-MWLCHTKSSA-N 305.342 -0.814 30 20 DBED CC(=O)NCC(=O)NC[C@@H]1CN(C(=O)[C@@H](C)C#N)CCCO1 1452437471 RKKGKVULMKYJDA-CMPLNLGQSA-N 310.354 -0.984 30 20 DBED CN1CCC2(CCN(C(=O)Cn3cnc(C#N)n3)CC2)C1=O 1467543659 OHYZASTUZPUGSM-UHFFFAOYSA-N 302.338 -0.379 30 20 DBED CCNS(=O)(=O)CCNS(=O)(=O)CC(C)(C)CC#N 1474936099 OLVSPQOXQCJARY-UHFFFAOYSA-N 311.429 -0.215 30 20 DBED C[C@H](C#N)C(=O)NCCN1CCN(C(=O)[C@H]2CCN(C)C2)CC1 1493185781 VIZAQNNNOLOKGR-KGLIPLIRSA-N 321.425 -0.642 30 20 DBED CCS(=O)(=O)CC(=O)N[C@@]1(C)CCN(C(=O)[C@@H](C)C#N)C1 1506455639 JCVRQQONQBHDDR-GWCFXTLKSA-N 315.395 -0.312 30 20 DBED N#C[C@H]1C[C@H]1C(=O)N1CCC(C(=O)NCc2cnn[nH]2)CC1 1577709995 LGDOCNFYGDWWEZ-ZYHUDNBSSA-N 302.338 -0.181 30 20 DBED C#CC[C@@H](NC(=O)Cn1c(=O)nc(O)c2ccccc21)C(=O)O 1588407549 JSWCGGUYVPZLIH-SNVBAGLBSA-N 315.285 -0.305 30 20 DBED C#CCN1CCC(C(=O)N2CCN(C)C[C@@H](C(=O)O)C2)CC1 1588471487 QSGFLUFNLKXJGX-CQSZACIVSA-N 307.394 -0.194 30 20 DBED CNC(=O)[C@H](C#N)C(=O)COc1ccc(-c2nn[nH]n2)cc1 1591198176 IFHGKQIRENHGSX-SNVBAGLBSA-N 300.278 -0.300 30 20 DBED Cc1onc(CC(=O)N2CCN(C(=O)C(=O)O)CC2)c1C#N 1594510142 DHBJWBYEERHFGP-UHFFFAOYSA-N 306.278 -0.847 30 20 DBED N#CC[C@@H](O)CN1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)O 1594611533 SQBNAMBVWJXHJJ-HRDYMLBCSA-N 323.271 -0.143 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCC(O)(C(=O)O)CC1 1596231161 HTJFMFDVOJCLHM-JTQLQIEISA-N 319.383 -0.376 30 20 DBED N#Cc1cc(CNC(=O)CN2CCC[C@@H](C(=O)O)C2=O)ccn1 1601088088 OBNHATVYLMIIKK-GFCCVEGCSA-N 316.317 -0.107 30 20 DBED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1cc(C)[nH]c1C(=O)O 1602701233 BYUUHKHQSPZGME-SECBINFHSA-N 307.306 -0.150 30 20 DBED C[C@H]1C[C@@H](CO)CN(c2cnc(C#N)c(-c3nn[nH]n3)n2)C1 1603850519 GYDASBMLSSBOOW-DTWKUNHWSA-N 300.326 -0.017 30 20 DBED N#Cc1cc(C(=O)NC2(CNC(=O)[C@@H]3C[C@H]3C(=O)O)CC2)c[nH]1 1608193868 MLDXKEOQWCQQFC-GHMZBOCLSA-N 316.317 -0.014 30 20 DBED N#C[C@@H]1CN(C(=O)NCc2cccc(S(N)(=O)=O)c2)CCO1 1649697682 NQKUQGCEOLCXOI-LLVKDONJSA-N 324.362 -0.232 30 20 DBED N#CC[C@@]1(O)CCN(Cc2nnnn2CC2CCOCC2)C1 1649847388 RUWFRSKRRFCECH-CQSZACIVSA-N 306.370 -0.050 30 20 DBED CC[C@@H](C(=O)NC[C@@H]1CCCCN1CC(=O)NCC#N)N(C)C 1713256753 NWDVTDAPTBMRCV-KBPBESRZSA-N 323.441 -0.063 30 20 DBED N#CCN1CCN(CCCNC(=O)c2cc3n(n2)CCO3)CC1 1752344333 QSSNFWNMCZLBCF-UHFFFAOYSA-N 318.381 -0.463 30 20 DBED C#CCN1CCC(C(=O)NC[C@H](C)NCCn2cncn2)CC1 1752921549 TXDZIUXHHKBMCB-AWEZNQCLSA-N 318.425 -0.282 30 20 DBED N#CCNC(=O)CN[C@@H]1CCC[C@H](NC(=O)Cn2cccn2)C1 1752966229 UKMLIHMJSUHWRY-OLZOCXBDSA-N 318.381 -0.460 30 20 DBED CCc1nc(C(=O)NCC[C@@H](C)NCC(=O)NCC#N)co1 1753005240 YRMPYKDSPRNKQR-SNVBAGLBSA-N 307.354 -0.025 30 20 DBED C=CCNC(=O)CN1CCC[C@@H]1CNC(=O)c1cncnc1 1753100894 HTCDNZBKWPQNHZ-CYBMUJFWSA-N 303.366 -0.027 30 20 DBED C#CCOCCC(=O)NC[C@H]1CCN(Cc2cnnn2C)C1 1753126206 YQAQRCDPGWBECV-CYBMUJFWSA-N 305.382 -0.207 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC(CNC(=O)c2cc[n+]([O-])cc2)C1 1753396397 QBAPBUPNCVVMKJ-GFCCVEGCSA-N 318.377 -0.328 30 20 DBED C#CCNC(=O)[C@H](C)N1CC(CNC(=O)CC[C@H]2CCOC2)C1 1753399377 HQAKJZKLRHOTJE-KBPBESRZSA-N 321.421 -0.011 30 20 DBED C=CCNC(=O)CN1CC(CNC(=O)CCn2cccn2)C1 1753402930 XRUKRUKYMXAZBJ-UHFFFAOYSA-N 305.382 -0.377 30 20 DBED C=CCOCCN1CC[C@H]1CNC(=O)c1cn(C)c(=O)n1C 1754504628 ICASYQPHDAKPPY-LBPRGKRZSA-N 308.382 -0.270 30 20 DBED C#CCN1CCC(N(CC#C)C(=O)c2ccc(=O)n(C)n2)CC1 1754643328 SXPULRDFRMWWJW-UHFFFAOYSA-N 312.373 -0.047 30 20 DBED N#CCN[C@@]1(CO)CCCN(C(=O)[C@H]2CCc3nncn3C2)C1 1755090744 DBFMPXDWRAPDLH-WFASDCNBSA-N 318.381 -0.693 30 20 DBED C=CCOCCN[C@]1(CO)CCCN(C(=O)c2cnon2)C1 1755091318 XBKFBCDQMZSCKG-CQSZACIVSA-N 310.354 -0.171 30 20 DBED C=CCNC(=O)CN[C@H]1CN(C(=O)c2cnns2)C[C@@H]1C 1755102788 BGBAOTUHDUWCAT-UWVGGRQHSA-N 309.395 -0.110 30 20 DBED C=CCNCC1(NC(=O)C[C@H](NC(C)=O)C(N)=O)CCCCC1 1755354970 WAMIHJGVSRVVBG-ZDUSSCGKSA-N 324.425 -0.039 30 20 DBED C[C@@H](CN(C)C(=O)CCc1cnccn1)NCC(=O)NCC#N 1755609934 ILBQUOGDCUMGBE-LBPRGKRZSA-N 318.381 -0.515 30 20 DBED C#CCCN[C@@H](CO)CNC(=O)[C@H](C)NC(=O)C1CCCC1 1755629431 MMEUQNVBHOTOPK-GXTWGEPZSA-N 309.410 -0.229 30 20 DBED C#CCCN[C@H](CO)CNC(=O)c1ccc2nnc(O)n2c1 1755642586 XDJUXLFDVMYBTE-NSHDSACASA-N 303.322 -0.862 30 20 DBED N#CCNC(=O)CNC[C@H]1CC[C@H](NC(=O)c2cnco2)C1 1755740197 TVCPPVOYZHDRAK-QWRGUYRKSA-N 305.338 -0.198 30 20 DBED CC(C)N(CCN(C)CC(=O)NCC#N)C(=O)c1cn(C)cn1 1755810593 FNQNZVDTBBTNCO-UHFFFAOYSA-N 320.397 -0.158 30 20 DBED C#CCOCCC(=O)N[C@@H](C)C1CN(C(=O)[C@@H]2CCNC2=O)C1 1756142033 NSIIBKFSXUHKMX-WCQYABFASA-N 321.377 -0.875 30 20 DBED C#CCCCCC(=O)NC[C@H](CO)NC(=O)[C@H]1CCCC(=O)N1 1756514246 VJESABLDSJRLNJ-CHWSQXEVSA-N 323.393 -0.558 30 20 DBED C#CCCCCC(=O)NC[C@@H](CO)NC(=O)c1ncccn1 1756514289 WOLOASNPTXWRPG-LBPRGKRZSA-N 304.350 -0.123 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)C1=CCOCC1 1756549801 GOTQGAPDKPIQDP-MJBXVCDLSA-N 324.377 -0.483 30 20 DBED C#CCCCC(=O)N(C)C[C@H](O)CNC(=O)[C@H]1CCCC(=O)N1 1756661330 XBDOHUJWWOMGCI-CHWSQXEVSA-N 323.393 -0.606 30 20 DBED C=CCOCC(=O)N1CC[C@@H](NC(=O)c2cccnc2)[C@@H](O)C1 1757558511 DCWWMFSKEDGZBN-KGLIPLIRSA-N 319.361 -0.024 30 20 DBED Cn1c([C@@H]2C[C@H]2C#N)nnc1N1CCC[C@H](NS(C)(=O)=O)C1 1772381839 NZLFAKNAJFJKHF-GARJFASQSA-N 324.410 -0.040 30 20 DBED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)C(=O)N(C)C)CCO2 1785423425 VEEXCMFTIRZYBN-INIZCTEOSA-N 321.377 -0.682 30 20 DBED CCOCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)S 1800984255 LXPOLUOVGWDDRZ-KQXIARHKSA-N 316.423 -0.069 30 20 DBED C#CCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)C)C2 1800992192 UORPXSGWPYUQFK-XOIINTDNSA-N 321.421 -0.059 30 20 DBED C#CC(=O)NC[C@@H]1CCN(C(=O)C(O)O)[C@@H]1c1cccnc1 1812524502 QBFBCRJPMZOAHR-WCQYABFASA-N 303.318 -0.969 30 20 DBED C#CC(=O)N[C@@H]1CCc2nc(NC(=O)CNC(=N)N)sc2C1 1814828093 ZMBFHOSSFUNDLX-SSDOTTSWSA-N 320.378 -0.829 30 20 DBED C#CC(=O)N[C@@H]1CCc2nc(NC(=O)CCC(N)=O)sc2C1 1825187781 SVKWXECAHRJBFQ-MRVPVSSYSA-N 320.374 -0.046 30 20 DBED NCC(=O)N1CCC([C@@H]2CCCCN2C(=O)C#CC(=O)O)CC1 1831668703 ABQFDGAVBPIPBS-ZDUSSCGKSA-N 321.377 -0.347 30 20 DBED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CC1CC1)CCO2 1835223792 MLYKYGFQTWMMKG-MRXNPFEDSA-N 306.362 -0.124 30 20 DBED CCCN(CC(=O)N(C)C)c1c(C#N)c(=O)n(C)c(=O)n1C 57139771 SCGIBTMHUWXYIT-UHFFFAOYSA-N 307.354 -0.740 30 20 DBED C#Cc1cccc(NC(=O)C(=O)N2C[C@@H](C)O[C@@H](C(N)=O)C2)c1 268466710 NLZMMLIJGIPMEK-ZWNOBZJWSA-N 315.329 -0.292 30 20 DBED C[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(N)=O 268705118 BSXNBYBQSCTFPT-DTWKUNHWSA-N 324.362 -0.785 30 20 DBED CC1(C)NC(=O)N(CCCO/N=C(\N)c2cnccn2)C1=O 270197174 BIPXHJZVFFNTAN-UHFFFAOYSA-N 306.326 -0.166 30 20 DBED C#C[C@H](C)NC(=O)c1cc(C)c2c(=O)n(C)c(=O)n(C)c2n1 274737775 JEEAQTFFSBSCJI-VIFPVBQESA-N 300.318 -0.308 30 20 DBED COC(=O)[C@@H](NS(=O)(=O)c1ccc(F)cc1C#N)[C@H](C)O 275829089 TXTHPEBKJUJRGU-CPCISQLKSA-N 316.310 -0.102 30 20 DBED CO/N=C/C(=O)NC[C@@H](O)CS(=O)(=O)c1cccs1 289962452 YNSPHIWVNGDWSN-OPYOOOJUSA-N 306.365 -0.369 30 20 DBED C=C[C@@H](CO)NS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C 290276960 VBHJXESAEHEDHK-VIFPVBQESA-N 311.363 -0.298 30 20 DBED C#CCN(C)CCCNC(=O)NCCC(=O)N1CCOCC1 296319143 LOONNLZQOTZCIW-UHFFFAOYSA-N 310.398 -0.510 30 20 DBED CS(=O)(=O)N1CCN(C/C(O)=N/[C@@H]2[C@H]3COC[C@H]32)CC1 330108406 NPXLDNPPBWRUPD-IAZYJMLFSA-N 303.384 -0.835 30 20 DBED C=CCNC(=O)[C@H](C)N1CCC[C@@H](CNS(C)(=O)=O)C1 330454438 MXMUINKCASHYNZ-RYUDHWBXSA-N 303.428 -0.062 30 20 DBED CN1CCO[C@@H](C/N=C(/O)N2CCC(N(C)CCO)CC2)C1 331134913 UTVONMJRVFCQCC-AWEZNQCLSA-N 314.430 -0.381 30 20 DBED CCO[C@H]1C[C@@](O)(CNC(=O)Cn2cnc(C#N)n2)C1(C)C 331475099 KRFQBWJYOKZPQL-IINYFYTJSA-N 307.354 -0.168 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N1CCCN([C@H](C)CO)CC1 337174258 HUVPTDNJRCXYAM-CHWSQXEVSA-N 318.443 -0.289 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)[C@@H]2CC[C@H](C(=O)OC)O2)C1=O 356341745 LMPKWZGUAGTDRL-SDDRHHMPSA-N 310.350 -0.048 30 20 DBED N#CCN1CCN(C(=O)[C@H]2COCCN2CC(F)(F)F)CC1 375084762 OAFACVCEJVSZSM-LLVKDONJSA-N 320.315 -0.083 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N1CCN2C(=O)NC[C@@H]2C1 375699560 YISQGJOBXKLGLB-NXEZZACHSA-N 301.372 -0.825 30 20 DBED C=CCNC(=O)CNC(=O)c1c(Br)nnn1C 393831110 BURHRLTWTLTLTP-UHFFFAOYSA-N 302.132 -0.390 30 20 DBED Cn1nc2c(cc1=O)CN(S(=O)(=O)c1ccc(C#N)o1)CC2 408111352 ALNURNFKLCRBIW-UHFFFAOYSA-N 320.330 -0.008 30 20 DBED C=CCS(=O)(=O)NC(=O)[C@@H]1CCCN(S(=O)(=O)CC)C1 408271703 YHWWZSBAEBCISI-SNVBAGLBSA-N 324.424 -0.320 30 20 DBED C#CCN(C)S(=O)(=O)CCCS(=O)(=O)N(C)[C@H](C)C#N 491680096 HVIJQRMCMDYSSC-LLVKDONJSA-N 321.424 -0.555 30 20 DBED N#Cc1ccccc1OCC(=O)NC[C@H]1CS(=O)(=O)CCO1 535786787 SSEZVWMOOBZGTH-LBPRGKRZSA-N 324.358 -0.133 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(Cc2cc(C)nn2C)c1=O 565667598 NGJWVVXZPKXCOI-UHFFFAOYSA-N 317.349 -0.366 30 20 DBED N#CCCN(CCC#N)C(=O)CN1CCC[C@@]12CCNC2=O 580446338 IOGRZGBOGBIBAZ-HNNXBMFYSA-N 303.366 -0.003 30 20 DBED C=C[C@H](C(=O)OC)N1CCN(S(=O)(=O)NC(C)C)CC1 590737829 YHLDGKUQDBECLK-LLVKDONJSA-N 305.400 -0.426 30 20 DBED CCc1nc(C#N)cc(NC2CCN(CC(=O)NC)CC2)n1 596073204 ITVGVDQYUGOKRU-UHFFFAOYSA-N 302.382 0.533 30 20 DBED CN(C)S(=O)(=O)NCC(=O)N1CCc2c(C#N)cccc21 597788309 JTLVYRZBPGAWBD-UHFFFAOYSA-N 308.363 -0.157 30 20 DBED COc1cc(NC(=O)C(=O)N[C@@H]2CNC(=O)C2)c(F)cc1C#N 599969413 CNVWNTDPIWOECY-QMMMGPOBSA-N 320.280 -0.351 30 20 DBED N#Cc1ccc(NC(=O)C(=O)NCCN2CC[C@@H](O)C2)c(F)c1 600071055 USUKQRAEEFBIRZ-LLVKDONJSA-N 320.324 -0.181 30 20 DBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@@H]1CCN(C)C1=O 614009489 ATAJQACMIQDSLC-VIFPVBQESA-N 304.354 -0.267 30 20 DBED COCCn1ccc(NC(=O)C(=O)N2CC[C@@](F)(C#N)C2)n1 615631873 HJLSJCLERSGKAC-CYBMUJFWSA-N 309.301 -0.068 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(C)(N)CC2)C1=O 648120467 DKUSNMKVFOWJAS-UHFFFAOYSA-N 308.338 -0.697 30 20 DBED C=CCN(CC(=O)O)C(=O)NCCCN(C)S(C)(=O)=O 692440321 PCXQGNQIGIPCIU-UHFFFAOYSA-N 307.372 -0.450 30 20 DBED Cn1ccc(NC(=O)C(=O)NCCNc2ccc(C#N)cn2)n1 737096128 BXIUHLBHKBETPS-UHFFFAOYSA-N 313.321 -0.146 30 20 DBED C#CCNC(=O)[C@@H](C)OC(=O)c1coc(S(=O)(=O)NC)c1 756400574 BACINHRELSFSJK-MRVPVSSYSA-N 314.319 -0.518 30 20 DBED C#C[C@H](NCC(=O)c1c(O)nc(=O)n(CC)c1N)[C@H]1CCCO1 775791803 XEJKYHCJXBJFDD-GXSJLCMTSA-N 320.349 -0.496 30 20 DBED N#Cc1cccnc1NCCNC(=O)N1C[C@@H](O)C[C@H]1CO 776120982 CHRFWSBGJGIFIS-RYUDHWBXSA-N 305.338 -0.498 30 20 DBED CC(C)(C#N)CNC(=O)NCCS(=O)(=O)N1CCOCC1 781933652 OKGZURHCVSPYSS-UHFFFAOYSA-N 318.399 -0.503 30 20 DBED C#CCOCCNS(=O)(=O)c1cnc2nc(O)nc(O)c2c1 784451357 GFAAAOLDVVVKDQ-UHFFFAOYSA-N 324.318 -0.636 30 20 DBED C#CCOCCNC(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1 784591755 MXGSCCLGSDZOAY-CQSZACIVSA-N 314.345 -0.127 30 20 DBED COc1cc(C#N)ccc1S(=O)(=O)NC(=O)c1cnnn1C 798854468 WMYZXYAWIYXULT-UHFFFAOYSA-N 321.318 -0.186 30 20 DBED C#C[C@H](NC(=O)N1C[C@@H](C(=O)OC)C[C@@H](O)C1)[C@@H]1CCCO1 826946430 NRFHJXTZYVPPJC-RNJOBUHISA-N 310.350 -0.267 30 20 DBED C#C[C@H](NC(=O)C(=O)NC[C@@H](C(=O)O)C(C)C)[C@@H]1CCCO1 848610045 JGRJCKSRWIWCJX-WOPDTQHZSA-N 310.350 -0.244 30 20 DBED C=CCN(C(=O)[C@H]1CCOC(=O)N1)[C@H]1CCS(=O)(=O)C1 858679892 JXJRGIXJFCJWAM-VHSXEESVSA-N 302.352 -0.313 30 20 DBED C=C[C@H](C(=O)OC)n1cc(CN2CCS(=O)(=O)CC2)nn1 881322557 ZPYKKBVREPJOKW-LLVKDONJSA-N 314.367 -0.591 30 20 DBED C=CCNC(=O)CN=c1cc[nH]c(C(=O)N2CCOCC2)c1 882166729 VKZOJPYBSMHGFK-UHFFFAOYSA-N 304.350 -0.310 30 20 DBED COCC[C@](C)(C#N)NC(=O)CN1CCCCS1(=O)=O 890899162 RAGRROPVEWAJKJ-GFCCVEGCSA-N 303.384 -0.153 30 20 DBED COc1ccc(CNC(=O)/C=C\C(=O)NCC#CCO)cc1 908032513 OGLOXJRMVNXJRL-HJWRWDBZSA-N 302.330 -0.021 30 20 DBED Cc1nn(C)cc1C1=NO[C@@H](C(=O)N2CCO[C@H](C#N)C2)C1 932147597 IXPPQFWXOAHVHD-ZWNOBZJWSA-N 303.322 -0.028 30 20 DBED CO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1NC(=O)Cn1cccn1 941198551 ONPRTGITUZGHBY-QJPTWQEYSA-N 305.338 -0.615 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)[C@@H](C)C1 944135122 IQEXESZYUULIRY-QWRGUYRKSA-N 314.349 -0.509 30 20 DBED CC#CCN1CC[C@H](NC(=O)CN2CC(=O)N(C)C2=O)[C@@H](C)C1 944137161 ZACIHCIAAPUCOY-STQMWFEESA-N 320.393 -0.270 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)c2cccnn2)C1 944744624 VWSXQPZWDOZOHK-MNOVXSKESA-N 303.322 -0.407 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)[C@@H](C)C1 945184219 VRSYBDLJSAWTLW-NWDGAFQWSA-N 318.381 -0.773 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@H]2CNC(=O)c2cnn(C)n2)nc1 951089028 GEBNYABYMNCFIC-LBPRGKRZSA-N 324.344 -0.164 30 20 DBED C=C1CC(C)(C(=O)N(C)C2CN(C(=O)[C@@H]3CNC(=O)N3)C2)C1 955256423 YYUAUJOJPFZGND-NSHDSACASA-N 306.366 -0.307 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2ccc3nnc(C)n3c2)C1 958200648 SGINQBSTQWOZOU-ZIAGYGMSSA-N 313.361 -0.307 30 20 DBED C#CCCN1C[C@@H](O)[C@H](CNC(=O)c2ccnc3[nH]nnc23)C1 958248920 QIGUMELAGBTNRC-ZYHUDNBSSA-N 314.349 -0.601 30 20 DBED C=CCCN1C[C@@H](O)[C@H](CNC(=O)c2cnc(O)n(C)c2=O)C1 958317583 ZRAOVQFRTVNQPO-ZYHUDNBSSA-N 322.365 -0.916 30 20 DBED C=CCN1C[C@@H](O)[C@H](CNC(=O)c2ccc(C(N)=O)nc2)C1 958748348 LHWPUCXLEVOGQI-DGCLKSJQSA-N 304.350 -0.611 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2[C@@H]3CN([C@H]4CCNC4=O)C[C@@H]32)cn1 962326233 MWLBJBFSMQCDMT-LJISPDSOSA-N 310.357 -0.389 30 20 DBED CS[C@H](C)C(=O)N1C[C@H](O)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 962388598 ZRWRGBIPAHESKY-FXAINCCUSA-N 322.390 -0.061 30 20 DBED C#CCN1CC[C@H](C)[C@@H](NC(=O)c2nc(O)nc(O)c2OC)C1 968539234 MTVCWRDJJKOIOG-UWVGGRQHSA-N 320.349 -0.030 30 20 DBED CN(CC#N)[C@@H]1CCN(C(=O)Cc2ccc(C(N)=O)nc2)C1 971790022 UPMSFAJKRQENMF-GFCCVEGCSA-N 301.350 -0.221 30 20 DBED CN(CC#N)[C@H]1CCN(C(=O)C2(n3cnnn3)CCOCC2)C1 972519623 CULVUDJEOSEDOF-LBPRGKRZSA-N 319.369 -0.765 30 20 DBED Cc1nonc1CC(=O)N1CC[C@]2(CN(CC#N)CCO2)C1 972617726 SHCLVARMROXEJZ-AWEZNQCLSA-N 305.338 -0.253 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(NCCN2C(=O)CCC2=O)CC1 990314894 QBCRZKYZZCQRRL-NSHDSACASA-N 306.366 -0.124 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)c2cnn(C)c2N)C1 990959011 CCQMLYPCMROJKQ-PWSUYJOCSA-N 319.365 -0.466 30 20 DBED CC#CCN1CC[C@@]2(NC(=O)C[C@@H]3NC(=O)NC3=O)CCC[C@@H]12 991098788 CYDKLUKZYVHSCL-OZVIIMIRSA-N 318.377 -0.279 30 20 DBED CCn1nnc(C)c1C(=O)NC1CN(C(=O)C#CC2CC2)C1 993388320 XHPNCTIGTVMKJW-UHFFFAOYSA-N 301.350 -0.040 30 20 DBED CC(C)N1C(=O)CC[C@H]1C(=O)NC1CN(C(=O)[C@@H](C)C#N)C1 998105020 QOUZIQJLODCGER-JQWIXIFHSA-N 306.366 -0.128 30 20 DBED C#CCNC1CC(N(C)C(=O)c2ccc(-n3cnnn3)cn2)C1 999169925 XRYQZYUTGDCGTD-UHFFFAOYSA-N 311.349 -0.117 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C(N)=O 999889583 HYIWPULNONQLPL-MOLYVOAJSA-N 321.377 -0.299 30 20 DBED C[C@H](C#N)C(=O)N1CC(CNC(=O)c2cnc(N(C)C)cn2)C1 1002065816 FULQFUPDDOLWDY-SNVBAGLBSA-N 316.365 -0.110 30 20 DBED C[C@H](NC(=O)c1cnn(C)c1N)C1CN(C(=O)C#CC2CC2)C1 1005951167 HSTDHOFDVRMQMC-JTQLQIEISA-N 315.377 -0.008 30 20 DBED O=C1N[C@H](C(=O)NCC2[C@H]3CN(C(=O)C#CC4CC4)C[C@H]23)CO1 1009022579 XQIMZNJPBWFRSR-UPJWGTAASA-N 317.345 -0.671 30 20 DBED C#CCCN1CCC[C@H](NC(=O)CN2CCC(=O)NC2=O)C1 1009102757 JYYILTOKUZTYSY-LBPRGKRZSA-N 306.366 -0.468 30 20 DBED C[C@H]1CC(=O)N[C@@H](C(=O)N2CCN(C(=O)[C@H](C)C#N)CC2)C1 1011203462 UBZJEVUVCTWSIG-IJLUTSLNSA-N 306.366 -0.268 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2C(NC(=O)CN3CCOCC3)[C@H]2C1 1012968492 NOJSGXHXYRFHSR-WOPDTQHZSA-N 306.366 -0.949 30 20 DBED C#Cc1cncc(C(=O)NC2[C@@H]3CN(C(=O)c4cnon4)C[C@@H]23)c1 1013748111 NFSJAJDELSPCJY-VXGBXAGGSA-N 323.312 -0.054 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@]23CCC[C@@H]2N(C(=O)C(N)=O)CC3)c1 1014232265 JZKOGAYTLOPUJZ-XHDPSFHLSA-N 315.333 -0.375 30 20 DBED C#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](C)N1C(=O)CCC1=O 1017600457 KLACDINCRKDJCE-RWMBFGLXSA-N 303.362 -0.168 30 20 DBED C[C@H]1CC[C@H](NC(=O)Cn2cnnn2)CN1C(=O)C#CC1CC1 1017959425 AFOATMJGVAHWEN-AAEUAGOBSA-N 316.365 -0.418 30 20 DBED N#CCN[C@H]1CCN(C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 1019177025 YLWAJLBFZCGBHV-ZNMIVQPWSA-N 322.409 -0.420 30 20 DBED C[C@@H](C#N)C(=O)N1CCCO[C@H](CNC(=O)c2cn(C)nn2)C1 1019581488 XRHAYBZIHSQFLT-WDEREUQCSA-N 320.353 -0.678 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C(F)F)C[C@H]1O 1024358532 NMSAJTDTFQNNSI-OUAUKWLOSA-N 315.320 -0.963 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]nc2C2CC2)C1 1025443130 GALBGGSLNUPTSM-GGZOMVNGSA-N 317.349 -0.252 30 20 DBED C#CCN1CCC[C@H]([C@H](C)NC(=O)c2cnc(O)n(C)c2=O)C1 1025504788 FEBHKNFPYYJNGC-RYUDHWBXSA-N 318.377 -0.051 30 20 DBED C#CCN[C@@H]1CC[C@@H]2CN(C(=O)CN3CCC(=O)NC3=O)C[C@H]21 1026398804 NUJOBWBDHFSNRS-JHJVBQTASA-N 318.377 -0.612 30 20 DBED C=C(C)CN1CC[C@H](CNC(=O)c2cn(C)c(=O)n(C)c2=O)C1 1028840466 FTIPJCZRXPXEIK-GFCCVEGCSA-N 320.393 -0.288 30 20 DBED N#CCN1[C@H]2CC[C@H]1CN(C(=O)Cc1ccc(C(N)=O)nc1)C2 1029359210 OJAGSROSUFDANN-STQMWFEESA-N 313.361 -0.078 30 20 DBED Cn1nnc(C(=O)NC2CN(Cc3cc(C#N)ccc3F)C2)n1 1030803144 BMENLRGORYDQNM-UHFFFAOYSA-N 315.312 -0.165 30 20 DBED CC(=O)N1CCO[C@H](C(=O)N[C@@H]2CCCCN(CC#N)C2)C1 1034509557 YNAQEIHUNYESOQ-KGLIPLIRSA-N 308.382 -0.272 30 20 DBED CC#CCN1CC[C@H]2CN(C(=O)c3nnc(O)nc3O)CC[C@H]21 1036762454 KBDVIZTUBCCIGN-WDEREUQCSA-N 317.349 -0.158 30 20 DBED C#CCCN1C[C@H]2C[C@H]1[C@H]2NC(=O)Cn1ccc(O)nc1=O 1037494102 UTSJGYMBQQKVTC-SUNKGSAMSA-N 302.334 -0.839 30 20 DBED CC[C@H]1CN(C(=O)Cn2ccc(O)nc2=O)CC[C@@H]1NCC#N 1037877438 QFEGYXTUOMGVRO-RYUDHWBXSA-N 319.365 -0.311 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H]2CCN2[C@H]2CCCNC2=O)c1 1038139870 LVOFOAMJZRERKK-YPMHNXCESA-N 301.350 -0.031 30 20 DBED C=CCN1CC[C@H](N2CC[C@H]3CC[C@@H](C2)N3C(=O)C(N)=O)C1=O 1039426317 BBDVCSBRQSSPNS-AGIUHOORSA-N 320.393 -0.676 30 20 DBED CCn1cnc(C(=O)N2CC[C@@](O)(CNC(=O)[C@H](C)C#N)C2)c1 1040760836 QIECUZDWNGKQOL-IAQYHMDHSA-N 319.365 -0.244 30 20 DBED Cc1nc(C)c(C(=O)NCC2(O)CN(C(=O)[C@@H](C)C#N)C2)o1 1042300229 QBADHZANWYKZDL-QMMMGPOBSA-N 306.322 -0.246 30 20 DBED C=CCOCCCC(=O)NCC1(O)CN(C(=O)COCC)C1 1042307567 WNYWJSLKVRBXBS-UHFFFAOYSA-N 314.382 -0.305 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)C2CC(F)(F)C2)C1 1042460424 MJUHCMWOUXBQPI-QMMMGPOBSA-N 301.293 -0.119 30 20 DBED CN(C(=O)c1cc(C#N)c[nH]1)C1CN([C@@H]2CCC(=O)NC2=O)C1 1042590098 STTSZSBCQVDETP-GFCCVEGCSA-N 315.333 -0.552 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2[nH]ccc2C)C1 1043040852 YGJMQVHCSTVIHU-LBPRGKRZSA-N 319.361 -0.335 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)CN(C)C(=O)C2CC2)C1 1043403254 WUFVQWRYCBMDNY-UHFFFAOYSA-N 323.393 -0.490 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)C(=O)NCC(F)F)C1 1043743197 XYADWWRSDHYOQO-UHFFFAOYSA-N 319.308 -0.977 30 20 DBED N#Cc1nccnc1N1C[C@H](O)[C@H](NC(=O)C[C@H]2CCOC2)C1 1043888118 XTNMEVVIPBENJT-RTXFEEFZSA-N 317.349 -0.559 30 20 DBED CCn1cnc(C(=O)NCC2(O)CN(C(=O)C#CC(C)C)C2)c1 1044033139 YPWSXAREOGWQOP-UHFFFAOYSA-N 318.377 -0.135 30 20 DBED Cc1cc(C(=O)N2CC(O)(CNC(=O)[C@@H](C)C#N)C2)n(C)n1 1045540926 MYAGKYCNXYUDLR-VIFPVBQESA-N 305.338 -0.809 30 20 DBED C=CCCC(=O)N(C)[C@H]1CN(C(=O)CNC(=O)OC)C[C@@H]1O 1048510765 VIDNVIPNCOOIFN-QWRGUYRKSA-N 313.354 -0.661 30 20 DBED C=CCCC(=O)N(C)[C@H]1CN(C(=O)C(=O)NCC2CC2)C[C@@H]1O 1048527929 RJBQROBFZIVPJL-STQMWFEESA-N 323.393 -0.491 30 20 DBED CC(C)C#CC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CCN(C)C2)C[C@@H]1O 1048813407 BAQCOBIJNCGWBO-ILXRZTDVSA-N 321.421 -0.372 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)[C@H]1CN(C(=O)c2cn[nH]c2)C[C@@H]1O 1048844679 PURHJGICWBGXSZ-DRZSPHRISA-N 320.349 -0.908 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCNC2=O)C1 1049163084 DMCPZWRKDMBNDM-SRVKXCTJSA-N 309.366 -0.881 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)CCc2ccon2)C[C@@H]1O 1049401512 HDHOXYKPLJBTLQ-WXHSDQCUSA-N 320.349 -0.203 30 20 DBED CC(C)N1C[C@H](C(=O)NC[C@H]2COCCN2CC#N)CC1=O 1050945283 KTEORCCHAUIFFC-OLZOCXBDSA-N 308.382 -0.416 30 20 DBED C[C@@H]1[C@@H](NC(=O)[C@H]2CNC(=O)N2)CCN1c1ccc(C#N)nc1 1050952535 SYLDSSNXWJGOCP-JIMOISOXSA-N 314.349 -0.282 30 20 DBED Cn1nnc2c(C(=O)NC[C@@H]3COCCN3CC#N)ccnc21 1051083690 IGHLVUFOBRPHFM-SNVBAGLBSA-N 315.337 -0.683 30 20 DBED N#Cc1cccnc1N1CC[C@H](NC(=O)c2cnon2)[C@H](O)C1 1051719690 UYBHSLGNULSPFI-CMPLNLGQSA-N 314.305 -0.294 30 20 DBED C#CCCN1CCC[C@@H](NC(=O)c2nnc(O)nc2O)CC1 1052530525 XNBPNAVIKHIDIZ-SNVBAGLBSA-N 305.338 -0.110 30 20 DBED CCn1cc(CC(=O)N2CCOC3(CN(CC#N)C3)C2)cn1 1053505531 YTKXYJRQKQGCDP-UHFFFAOYSA-N 303.366 -0.118 30 20 DBED N#CCN1CC2(CC[C@H](CNC(=O)c3c[nH]c(C(N)=O)c3)O2)C1 1053698923 YTTWNFMPIIHUIQ-LLVKDONJSA-N 317.349 -0.400 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)C3CN(C(C)=O)C3)CO2)C1 1053789577 HHSBSGDWTIEWAT-CQSZACIVSA-N 305.378 -0.553 30 20 DBED Cc1cc(=O)c(C(=O)N[C@H]2COC3(C2)CN(CC#N)C3)c[nH]1 1053972794 MGMQNQZHNYSJTI-LLVKDONJSA-N 302.334 -0.220 30 20 DBED C#CCN[C@@H]1CN(C(=O)CCc2nnc(O)nc2O)C[C@H]1C 1054847236 DXPYJMPMLFVYLN-MWLCHTKSSA-N 305.338 -0.715 30 20 DBED N#Cc1nccc(N2CCN(C(=O)c3cc[n+]([O-])cc3)CC2)n1 1055712355 HGKZCBUSYZQPNC-UHFFFAOYSA-N 310.317 -0.056 30 20 DBED N#Cc1cnc(N[C@@H]2CCN(C(=O)[C@H]3CCNC3=O)C2)cn1 1056745105 PXNWOLSZOYFHJL-KOLCDFICSA-N 300.322 -0.503 30 20 DBED CO[C@H](C)C(=O)N(CCO)CCNC(=O)c1c[nH]c(C#N)c1 1057112475 LXWIATUAPLNDFK-SNVBAGLBSA-N 308.338 -0.528 30 20 DBED CO[C@H](C)C(=O)N(CCO)CCNC(=O)CSCC#N 1057113289 YRYPKJWJNLHCOM-SNVBAGLBSA-N 303.384 -0.785 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)c1ncccn1 1057193838 QHKBMESPJJSCGD-UHFFFAOYSA-N 308.338 -0.770 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)[C@@H]1CCCN1C 1057439543 RBAPNSCWQCTCKX-AWEZNQCLSA-N 309.410 -0.179 30 20 DBED CCCN(C)CC(=O)N(CCO)CCNC(=O)C#CC(C)C 1058255085 BIJMHVMMDVCVSQ-UHFFFAOYSA-N 311.426 -0.075 30 20 DBED CC#CCCCC(=O)N(CCO)CCNC(=O)CNC(C)=O 1058444275 KHBYIGTXLHMJIM-UHFFFAOYSA-N 311.382 -0.747 30 20 DBED N#Cc1cncc(N2CC[C@@H](NC(=O)c3cnnc(O)c3)C2)n1 1058471016 FWJWMQFDHQUOHW-SNVBAGLBSA-N 311.305 -0.147 30 20 DBED N#Cc1cncc(N2CC[C@H](NC(=O)c3cncnc3O)C2)n1 1058475906 DFFNBNGHNWHDBJ-VIFPVBQESA-N 311.305 -0.147 30 20 DBED C=C[C@](C)(O)CC(=O)NCCN(CCO)C(=O)c1ccnnc1 1058936777 CPAZOUGHJPXEBQ-HNNXBMFYSA-N 322.365 -0.646 30 20 DBED C[C@H](C#N)C(=O)NCC[C@@H]1CCN(C(=O)c2ncn(C)n2)C1 1059589840 PQJCOQSNOHZRHK-GHMZBOCLSA-N 304.354 -0.057 30 20 DBED Cc1cc(C#N)nc(N[C@H]2C[C@@H](NC(=O)[C@H]3COC(=O)N3)C2)n1 1059625257 PFFJMAMGXFCHGO-WCABBAIRSA-N 316.321 -0.176 30 20 DBED C=CCCC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1CC(=O)N(C)C1 1061401816 NAJQGICVTPMMMH-OLZOCXBDSA-N 323.393 -0.226 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)CCn1ccnn1 1061532757 YNGSDXSUXNCSHM-NWDGAFQWSA-N 320.353 -0.829 30 20 DBED Cc1cnc(C(=O)N2CCOC[C@@H]2CNC(=O)[C@@H](C)C#N)cn1 1061846927 QWLCMUMWDHMFPX-JQWIXIFHSA-N 317.349 -0.098 30 20 DBED CN(C(=O)[C@H]1COC(=O)N1)[C@@H]1CCN(c2nccnc2C#N)C1 1062929148 ZWRCPBKYGNVCJK-MWLCHTKSSA-N 316.321 -0.506 30 20 DBED N#Cc1cncc(NC[C@H]2CCCN2C(=O)Cn2cnnn2)n1 1063442787 KWSCCRCNZLQOLX-LLVKDONJSA-N 313.325 -0.562 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)[C@@H]2COCCO2)CCO1 1064881066 NIRSPHKASDMFKQ-OLZOCXBDSA-N 312.366 -0.288 30 20 DBED N#Cc1nccc(N2[C@H]3CC[C@H]2CN(C(=O)CC(N)=O)CC3)n1 1065140607 VVGKTNDTPSBIGS-QWRGUYRKSA-N 314.349 -0.207 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H]1CN(C(=O)c2cnco2)CCO1 1065387938 JYDKPTJPVDROMN-NEPJUHHUSA-N 321.333 -0.330 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2c[nH]nc2C)CCO1 1065414429 ZQBPTXXVMLGJEA-LBPRGKRZSA-N 322.365 -0.122 30 20 DBED CN(C(=O)c1cc[nH]n1)[C@H]1CN(c2nccnc2C#N)C[C@@H]1O 1065568681 KEKFIHSUGKGVIE-RYUDHWBXSA-N 313.321 -0.607 30 20 DBED C[C@@H]1CN(C(=O)CC(N)=O)C[C@@H]1CN=c1cc[nH]c(C#N)n1 1065827597 BXWWKCUZYISGTI-ZJUUUORDSA-N 302.338 -0.848 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CCCN(C(=O)CC(N)=O)CC1 1066169891 NADBRKGHNMEMPQ-VXGBXAGGSA-N 309.366 -0.603 30 20 DBED C[C@H]1CN(C(=O)Cn2cnnn2)C[C@H]1Nc1cnc(C#N)cn1 1067042615 UCKPABYLDZCVQR-GXSJLCMTSA-N 313.325 -0.706 30 20 DBED N#Cc1ccc(N2C[C@H](CNC(=O)c3cnon3)[C@@H](O)C2)nc1 1067678956 XDYDELIRDVLZQI-JQWIXIFHSA-N 314.305 -0.437 30 20 DBED N#Cc1nc(=NCC2CC(NC(=O)C3=COCCO3)C2)cc[nH]1 1067823058 HKYMJOCGSWNILU-UHFFFAOYSA-N 315.333 -0.035 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1COC2(C1)CN(C(=O)C1CC1)C2 1068819752 LUSSGNJZIAZNMY-LBPRGKRZSA-N 319.361 -0.978 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2ccc(O)nn2)C1 1069892969 YZLFWUQINUYDRO-NEPJUHHUSA-N 313.321 -0.938 30 20 DBED N#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)C23CCN(CC2)C3)C1 1070076368 NGLYRQXFUWKKDT-OLZOCXBDSA-N 315.381 -0.761 30 20 DBED C=CCN[C@@H]1CN(C(=O)c2cnnc(O)c2)C[C@@H]1n1ccnn1 1070212970 BELIIHDHTDPOTN-NEPJUHHUSA-N 315.337 -0.385 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@@H](NC(=O)CCOCC)C1 1070635917 ANGUQOMENDGWPL-CYBMUJFWSA-N 323.393 -0.340 30 20 DBED C=CCN1C[C@H]2C[C@@H]3CN(C(=O)[C@H]4CCC(=O)N4)C[C@@]3(C1)O2 1070776838 XBTNUUWOUDICIY-BRXULGCHSA-N 305.378 -0.247 30 20 DBED CCn1nncc1C(=O)N1C[C@@H]2C[C@@H]3CN(CC#N)C[C@]2(C1)O3 1070796980 STGZYQJHEMYZTO-YWPYICTPSA-N 316.365 -0.263 30 20 DBED Cc1nc(O)[nH]c1C(=O)N1C[C@@H]2C[C@@H]3CN(CC#N)C[C@]2(C1)O3 1070813133 IVGCWFRUXPYJAC-FIXISWKDSA-N 317.349 -0.137 30 20 DBED C#CCN1CC[C@@]2(C1)CN(C(=O)Cn1cncn1)C[C@@H](C)O2 1071238718 PSARJJOETADDIB-UKRRQHHQSA-N 303.366 -0.397 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCCN(C(=O)C2(CF)CC2)C1 1071290252 JNCVZDRXGNTGRI-GFCCVEGCSA-N 323.368 -0.017 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CN(C(=O)c2ccon2)C[C@H]1C 1071703489 NAWYMRHONCTPTJ-PWSUYJOCSA-N 318.333 -0.609 30 20 DBED CC#CCN1CCO[C@@H]2CCN(C(=O)CCn3cncn3)C[C@@H]21 1074171484 VKWSDTNURDSUNE-LSDHHAIUSA-N 317.393 -0.007 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCN(C(=O)C(F)F)[C@H](C)C1 1074942366 WKLKUOHODJQCPZ-NXEZZACHSA-N 315.320 -0.113 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)c1ccn(C)n1 1076219802 BVXVYRFEZNTZMD-NSHDSACASA-N 319.365 -0.816 30 20 DBED C#CCO[C@@H](C)C(=O)NCC[C@H](C)NC(=O)CCCC(N)=O 1076512473 ZFJKKIPOOSUYDI-RYUDHWBXSA-N 311.382 -0.309 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3nccn3C2)C1 1077259142 IYBHKWZJJZDKFM-BFHYXJOUSA-N 302.378 -0.370 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)Cn2ccc(C)cc2=O)C1 1077759001 HKSGBFSIWUYTCK-ZIAGYGMSSA-N 305.378 -0.106 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)c2nc(O)nc(O)c2OC)C1 1077998351 SMKDDPKCLWDKBU-RKDXNWHRSA-N 324.337 -0.753 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN2C(=O)C(C)C)C1 1078198222 DBFWWEKKZUNTIQ-QLFBSQMISA-N 321.421 -0.182 30 20 DBED C=CCCOCC(=O)N[C@@H](C)CCNC(=O)Cn1cncn1 1078576059 AURROKVYKQYUQL-LBPRGKRZSA-N 309.370 -0.118 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H](C)CCNC(=O)Cc1nc[nH]n1 1078594280 BHSKMHFRTRPQHR-IINYFYTJSA-N 309.370 -0.315 30 20 DBED O=C(C#CC1CC1)NC1(CO)CCN(C(=O)[C@@H]2CCOC2)CC1 1080853063 JBTGMUGCQWNTHD-CQSZACIVSA-N 320.389 -0.094 30 20 DBED C=CCCC(=O)N1C[C@H](CNC(=O)c2cnn(C)c2)[C@@H](O)C1 1081248262 NNUKZGYOLXYCKE-AAEUAGOBSA-N 306.366 -0.065 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@@H]1O 1081335272 JKQZYLBSMSJXIN-JQWIXIFHSA-N 320.349 -0.715 30 20 DBED CC(C)(C)C#CC(=O)NC[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1O 1081477475 TWZTXAXRVBBAIV-GHMZBOCLSA-N 319.365 -0.597 30 20 DBED C=CC(C)(C)C(=O)NC[C@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@@H]1O 1081642056 BIADSHMCANZCFN-QWRGUYRKSA-N 323.393 -0.600 30 20 DBED C=CCCCC(=O)NC[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@@H]1O 1081703784 UXQAZEGORGDIGU-MNOVXSKESA-N 322.369 -0.885 30 20 DBED C#CCCN1C[C@@H](NC(=O)c2c(C)ncnc2O)[C@H](OC)C1 1082048474 YAPNZSCNZRZCTI-VXGBXAGGSA-N 304.350 -0.057 30 20 DBED C=CCN1C[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)[C@H](OC)C1 1082325018 MIULAVLNRYATNS-GHMZBOCLSA-N 318.337 -0.967 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2ccnc(-n3cccn3)c2)C1 1083769911 MXAMBVWNJZWOOC-OLZOCXBDSA-N 312.333 -0.434 30 20 DBED C=CCN[C@@H]1CC[C@H](CNC(=O)c2cn(C)c(=O)n(C)c2=O)C1 1086818020 MNOMEAMSEYJRRX-NWDGAFQWSA-N 320.393 -0.242 30 20 DBED CN1C(=O)CN(CC(=O)N2CCCCC[C@H](NCC#N)C2)C1=O 1088412212 AZCJBYSGLOHVFV-LBPRGKRZSA-N 321.381 -0.235 30 20 DBED CC#CCN1CC[C@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)[C@H]1C 1088958967 DUBVPKGNKHWPOE-NEPJUHHUSA-N 320.393 -0.081 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2cnc3n2CCOC3)[C@H](O)C1 1090338241 ZLSVIMFDHNWJIM-DGCLKSJQSA-N 304.350 -0.789 30 20 DBED COCCn1nccc1C(=O)N[C@H]1CCN(CC#N)C[C@H]1O 1090350503 WRJPTKWUBGFWEZ-WCQYABFASA-N 307.354 -0.782 30 20 DBED C#CCN1CC[C@H](NC(=O)c2csc(NC(C)=O)n2)[C@H](O)C1 1090382094 OQJKAFYVKJSIIU-CMPLNLGQSA-N 322.390 -0.100 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(c2nc(C)cc(C)n2)C[C@H]1O 1090392101 OUDFVSGKPANQNR-CHWSQXEVSA-N 306.366 -0.038 30 20 DBED CC[C@H](C(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1O)N(C)C 1090455005 NBSIPSUWWRACJJ-RBSFLKMASA-N 317.393 -0.041 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2ccc(N(C)C)cn2)[C@H](O)C1 1090840437 ZPFYBZDGYWSKCN-UKRRQHHQSA-N 302.378 -0.054 30 20 DBED COCCC(=O)N1CCO[C@@H]2CN(c3cncc(C#N)n3)C[C@@H]21 1091033677 ZFKILEPFKNCKOD-QWHCGFSZSA-N 317.349 -0.199 30 20 DBED CCC[C@@H](OC)C(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1091165886 GSPDSAGBLVMQMK-FRRDWIJNSA-N 319.365 -0.171 30 20 DBED C=CCCC(=O)N[C@@H]1CCN(c2ccc3nnnn3n2)C[C@@H]1O 1092153068 BWJYXLNXHNIWBU-MNOVXSKESA-N 317.353 -0.459 30 20 DBED N#Cc1cnccc1N1C[C@H]2[C@H](NC(=O)C3(C(N)=O)CC3)[C@H]2C1 1093355350 FTSQKIPDEGAQSR-PJXYFTJBSA-N 311.345 -0.230 30 20 DBED Cc1noc(C(=O)N[C@@H]2CC(=O)N(C3CN(CC#N)C3)C2)c1C 1094750082 VOMYXDDZQYGTDT-LLVKDONJSA-N 317.349 -0.170 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)[C@H]3CC[C@@H](C)O3)CC2=O)C1 1094788301 PPDYUBQCQCBPMW-YRGRVCCFSA-N 305.378 -0.412 30 20 DBED C#CCN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCn1ncn(C)c1=O)C2 1094968300 UWJZJRRRDFFGSO-MJBXVCDLSA-N 317.393 -0.426 30 20 DBED CCC(=O)NCC(=O)N[C@H]1CCN(c2cnc(C#N)cn2)C1 1096331828 SIOJPQRAHOOBQK-JTQLQIEISA-N 302.338 -0.431 30 20 DBED N#Cc1nc(=N[C@H](CNC(=O)Cn2cccn2)C2CC2)cc[nH]1 1096578669 HWVFXYVULQDLHE-GFCCVEGCSA-N 311.349 -0.026 30 20 DBED N#Cc1nc(=N[C@@H](CNC(=O)[C@@H]2CCC(=O)N2)C2CC2)cc[nH]1 1096697241 JUEGPSIVDJSUAP-QWRGUYRKSA-N 314.349 -0.645 30 20 DBED CCC(=O)NCC(=O)N[C@H]1C[C@@H](Nc2ccc(C#N)nn2)C1 1097164875 QJBHKZPZBYQILQ-PHIMTYICSA-N 302.338 -0.066 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1 1097842228 SULRPTUSDXPNHI-QMIVOQANSA-N 319.405 -0.023 30 20 DBED CNC(=O)NCC(=O)NC[C@H](C)Nc1nc(C)cc(C#N)n1 1098338660 HEKLXHDVAIDWNF-VIFPVBQESA-N 305.342 -0.498 30 20 DBED C#CCNCc1cn([C@H]2CCN(C(=O)[C@@H]3CCCO3)C2)nn1 1098604330 MKCASPRTHKDTOO-KBPBESRZSA-N 303.366 -0.047 30 20 DBED C#CCNCc1cn([C@@H]2CCN(C(=O)CC(C)(C)O)C2)nn1 1098663786 JFTFPNPUYQVBSS-CYBMUJFWSA-N 305.382 -0.065 30 20 DBED CC(=O)N[C@@H]1CN(CC(=O)NCC#N)CC2(CCOCC2)C1 1099559740 HGTJILGGARTINF-ZDUSSCGKSA-N 308.382 -0.367 30 20 DBED C[C@H](CCNC(=O)[C@H]1C[C@H]1C(N)=O)N=c1cc[nH]c(C#N)n1 1099691960 QTZXKBKVNWBXKV-BBBLOLIVSA-N 302.338 -0.802 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)c2n[nH]c(C)c2O)[C@H](O)C1 1099773027 PUZCPERSZIMSNL-NWDGAFQWSA-N 324.381 -0.209 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)CCn2ccnn2)[C@H](O)C1 1099799952 VMWMDPINTKAMGS-UONOGXRCSA-N 323.397 -0.578 30 20 DBED C#CCN1CC[C@@H](NC(=O)CCCn2ccccc2=O)[C@H](O)C1 1099944977 SLITZIVXIFJXEI-HUUCEWRRSA-N 317.389 -0.187 30 20 DBED C#CCN1CC[C@@H](NC(=O)CCCC(=O)NCCC)[C@H](O)C1 1100078931 QMNWIZRLBHROKJ-ZIAGYGMSSA-N 309.410 -0.133 30 20 DBED C#CCN1CC[C@H](NC(=O)CNC(=O)C2CCCCC2)[C@H](O)C1 1100096186 AXKZRTNRUSNDQY-LSDHHAIUSA-N 321.421 -0.133 30 20 DBED C=CCNC(=O)[C@@H](C)NC1CC(CNC(=O)c2[nH]nnc2C)C1 1100557838 LDKGGSLSDNDQFT-VOMCLLRMSA-N 320.397 -0.098 30 20 DBED CN(C)C(=O)CC(=O)NC[C@H]1CCN(c2cnc(C#N)cn2)C1 1101060753 JJBBOZFPMMCMPB-LLVKDONJSA-N 316.365 -0.231 30 20 DBED C=CCN1CC2(C[C@H](NC(=O)CNC(=O)NC)c3nccn32)C1 1101630351 FHFCXKTZQHRODU-NSHDSACASA-N 318.381 -0.430 30 20 DBED C=CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)c2cnn[nH]2)C1 1102118584 MLNNIRPYDNHMIQ-GHMZBOCLSA-N 306.370 -0.595 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CCCCN(c2cncc(C#N)n2)C1 1102853881 FHRMTEHCPPMFKO-LLVKDONJSA-N 316.365 -0.041 30 20 DBED Cc1nsc(N2CCO[C@H](CNC(=O)C(N)=O)C2)c1C#N 1104344784 JBFUEOXIGAXDOJ-MRVPVSSYSA-N 309.351 -0.870 30 20 DBED C[C@@H](CNc1nccnc1C#N)N(C)C(=O)[C@H]1COCCN1C 1104527109 LDASWCWBCPQGNG-WCQYABFASA-N 318.381 -0.062 30 20 DBED C=C(C)CCC(=O)N1CC(n2cc(CNCC(=O)NC)nn2)C1 1105252484 TUSOPDNHOIJDGQ-UHFFFAOYSA-N 320.397 -0.147 30 20 DBED C=CCNCc1cn(C2CN(C(=O)[C@H]3CC[C@H]3C(N)=O)C2)nn1 1105300699 AWFGZTISJGOCTP-OLZOCXBDSA-N 318.381 -0.552 30 20 DBED C=CCNCc1cn(C2CN(C(=O)[C@@H](C)OCCOC)C2)nn1 1105336700 JWFOUFHJMARXGO-GFCCVEGCSA-N 323.397 -0.012 30 20 DBED CCCCOCC(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1 1105763925 SCHGIWMPBXEZLO-LLVKDONJSA-N 307.354 -0.524 30 20 DBED Cc1nn(C)cc1C(=O)NC[C@H](O)CN=c1cc[nH]cc1C#N 1105764156 YCYKLBTUSRXIPM-GFCCVEGCSA-N 314.349 -0.380 30 20 DBED Cc1nc[nH]c1C(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1 1105888655 VWTAYJKONYCERG-VIFPVBQESA-N 301.310 -0.996 30 20 DBED CN1CC[C@@H](CC(=O)NC[C@@H](O)CN=c2cc[nH]cc2C#N)C1 1105913663 GKPMSDQGNYSGGA-JSGCOSHPSA-N 317.393 -0.394 30 20 DBED C#CCOCCC(=O)N1C[C@@H](C)[C@H](CNCC(=O)N(C)C)C1 1106115637 ZNPRSYZQGGOWMB-ZIAGYGMSSA-N 309.410 -0.201 30 20 DBED C=CCN1CCO[C@@](C)(CNC(=O)c2cn(C)c(=O)cn2)C1 1108085318 WWWJADBKAANUJC-HNNXBMFYSA-N 306.366 -0.213 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)[C@@H]1CN(C)CCO1 1108303819 ZNOFTXJUAXVAQU-QWRGUYRKSA-N 304.354 -0.983 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)C3(COC)CC3)CC2=O)C1 1108557704 WABNAXQLGCFYDB-LBPRGKRZSA-N 305.378 -0.553 30 20 DBED C[C@@H](CNc1nccnc1C#N)NC(=O)C(=O)NCC(F)F 1108599198 FBHZWCRSAZZWMV-ZETCQYMHSA-N 312.280 -0.354 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)COCc1ncnn1C 1109915305 VMKGUEGKJVKFSO-AGIUHOORSA-N 303.366 -0.314 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@]1(F)CCOC1 1110941136 QRCWOEIWCZXJNS-NFFDBFGFSA-N 323.368 -0.414 30 20 DBED CO[C@@H](C)C(=O)NC[C@]1(O)CCN(c2cncc(C#N)n2)C1 1111026627 TXZGCQJUPRFJDM-IINYFYTJSA-N 305.338 -0.559 30 20 DBED CCOCCC(=O)NC[C@]1(O)CCN(c2cncc(C#N)n2)C1 1111042126 OSHHEBRSCIYAPN-OAHLLOKOSA-N 319.365 -0.168 30 20 DBED N#Cc1ccc(N2CC[C@](O)(CNC(=O)[C@@H]3CCOC3)C2)nn1 1111043524 GVJZLJJACCFXRF-ABAIWWIYSA-N 317.349 -0.558 30 20 DBED C=C(Cl)CN1CCN(C(=O)CNC(=O)CNC(C)=O)CC1 1113030205 PPJQWSQCJVBZFR-UHFFFAOYSA-N 316.789 -0.865 30 20 DBED C[C@H](N=c1cc[nH]c(C#N)n1)[C@@H](C)NC(=O)CCc1cnn[nH]1 1113308563 FNXQWMVMSGROKK-VHSXEESVSA-N 314.353 -0.174 30 20 DBED C[C@H](CNC(=O)c1cnn(C)c1N)N(C)c1cnc(C#N)cn1 1113574257 ZGEPOQQLJGFSOX-SECBINFHSA-N 314.353 -0.081 30 20 DBED Cc1cc(C#N)nc(N(C)[C@H](C)CNC(=O)Cn2ncnn2)n1 1113722924 GVUDEPYJYPNTNU-SNVBAGLBSA-N 315.341 -0.716 30 20 DBED N#CCNC(=O)CN1C[C@H]2C(NC(=O)c3ccc(F)nc3)[C@@H]2C1 1114070277 WPEXHODOHUXRIP-GHMZBOCLSA-N 317.324 -0.480 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)C[C@H]3CCOC3)[C@H]2C1 1114088060 HPQOLZOOAOYGGL-FOCJUVANSA-N 307.394 -0.238 30 20 DBED C=C(Br)CN1C[C@H]2C(NC(=O)CC(N)=O)[C@@H]2C1 1114093742 UPHSVHRWNCRLOC-HTQZYQBOSA-N 302.172 -0.183 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)CC3(OC)CCC3)[C@@H]2C1 1114196796 MYORBHXNBROYFF-CHWSQXEVSA-N 319.405 -0.259 30 20 DBED CC(C)C#CC(=O)N[C@H]1[C@@H]2CN([C@@H](C)C(=O)NC(N)=O)C[C@@H]21 1114234303 JHWYTLZANXCWCT-MEWQQHAOSA-N 306.366 -0.724 30 20 DBED C=CCOCCN1C[C@H]2C(NC(=O)c3cc(=O)n(C)cn3)[C@@H]2C1 1114421604 QVLOJPVKDJWLBH-VXGBXAGGSA-N 318.377 -0.357 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)c3[nH]c(O)nc3C)[C@H]2C1 1114437321 YPGUBCFMTZRCBX-PJXYFTJBSA-N 304.350 -0.266 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)[C@@H]3CCCCN3C)[C@@H]2C1 1114466721 RVNSZROCLMOBNM-MCIONIFRSA-N 318.421 -0.734 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)COCC(F)F)[C@@H]2C1 1114619424 WITVUUUOKATBQX-NXEZZACHSA-N 315.320 -0.936 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)C3(CN(C)C)CC3)[C@@H]2C1 1114743847 RMLOIVZQSNICCU-CHWSQXEVSA-N 320.437 -0.323 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)c3cn(C)c(O)n3)[C@H]2C1 1114772195 NJFVYTHNWNFFNN-UWVGGRQHSA-N 319.365 -0.912 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)c3nc(C)c[nH]3)[C@H]2C1 1114948324 BDBFCSMEHMFQFT-SRVKXCTJSA-N 315.377 -0.484 30 20 DBED CC(=O)NC(C)(C)C(=O)N(C)C[C@H](C)N=c1cc[nH]c(C#N)n1 1115784245 PZNPOZRMTTXGBP-JTQLQIEISA-N 318.381 -0.056 30 20 DBED C#C[C@H](C)NC(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 1116641815 IFOHZYJSYZAUBN-VHSXEESVSA-N 301.368 -0.999 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)NCCCn1cc(CO)nn1 1117617220 VIVFOWBTMMNDHP-JTQLQIEISA-N 316.387 -0.914 30 20 DBED CN(C[C@@H]1CCC[C@H]1O)C(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1118250153 NJCMHKUQNLJMJY-ZOWXZIJZSA-N 309.366 -0.517 30 20 DBED C[C@@H]1CN(C(=O)NCC#CCO)CC[C@H]1N1CCN(C)CC1 1119617894 XKRXIYNSWXLLJE-HUUCEWRRSA-N 308.426 -0.351 30 20 DBED COCC#CC(=O)N[C@@H]1CCCN(CCN2CCOCC2)C1 1119678528 HVHCVXPANDNWRJ-OAHLLOKOSA-N 309.410 -0.451 30 20 DBED Cc1nnsc1C(=O)NC[C@H](CO)Nc1nccnc1C#N 1121056516 WUJSOHDRMCBABD-MRVPVSSYSA-N 319.350 -0.289 30 20 DBED N#Cc1c[nH]ccc1=N[C@H](CO)CNC(=O)[C@@H]1CCCOC1 1121197628 KFJSHGKMHHNRJT-YPMHNXCESA-N 304.350 -0.309 30 20 DBED Cc1cc(=N[C@@H](CO)CNC(=O)c2cnnn2C)c(C#N)c[nH]1 1121387998 ZALNLAKUDDJZBW-LLVKDONJSA-N 315.337 -0.985 30 20 DBED Cc1ncoc1C(=O)NC[C@H](CO)Nc1cncc(C#N)n1 1121433087 UJZXCUWQMSUONW-SNVBAGLBSA-N 302.294 -0.153 30 20 DBED CN(C)CC1(C(=O)NC[C@@H](CO)N=c2cc[nH]cc2C#N)CC1 1122508291 LFTTZSRAQIHTDE-ZDUSSCGKSA-N 317.393 -0.394 30 20 DBED Cc1c[nH]c(C(=O)NC[C@@H](CO)N=c2cc(C)[nH]cc2C#N)n1 1122688043 NUFDNEXMJXLEKR-LBPRGKRZSA-N 314.349 -0.082 30 20 DBED N#Cc1cnc(NC[C@H]2CC[C@@H](NC(=O)CC(N)=O)C2)cn1 1123755066 YRCPZPJEWPJWJL-VHSXEESVSA-N 302.338 -0.080 30 20 DBED CC(=O)CCCC(=O)N(C)C[C@H](O)CN=c1cc[nH]c(C#N)n1 1124116396 HNMUMAZKKJJGTF-GFCCVEGCSA-N 319.365 -0.239 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)Cc1ccnn1C 1126403028 PVSQKFLRHDZKPF-UHFFFAOYSA-N 319.409 -0.131 30 20 DBED C#CCO[C@H](C)C(=O)NCCNCc1cc(=O)c(OC)co1 1127052331 VFVXTJHFHBWHPP-LLVKDONJSA-N 308.334 -0.108 30 20 DBED C#CCO[C@@H](C)C(=O)NCCN[C@@H]1CCN(C2CCC2)C1=O 1127052335 VKTWKZFGHMQPBZ-GXTWGEPZSA-N 307.394 -0.116 30 20 DBED C#CCNC(=O)CNCCNC(=O)C[C@H](C)N1CCCCC1=O 1127162057 IYSXRCIKNJECOX-ZDUSSCGKSA-N 322.409 -0.767 30 20 DBED N#Cc1ccc(N2CC=C(CNC(=O)Cn3ncnn3)CC2)cn1 1127700034 UGOMYXXSZWSKDV-UHFFFAOYSA-N 324.348 -0.107 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)[C@H]1CCc2nccn2C1 1130481241 NRGZCCOCVMPEBM-STQMWFEESA-N 319.409 -0.158 30 20 DBED C#CCCNC[C@H]1CN(C(=O)CN2CCNC(=O)C2)CC[C@H]1C 1133032352 YVNWXWZWBYHRIA-CABCVRRESA-N 320.437 -0.484 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)c1cnccn1 1133548763 AHSCREMBYVXMKU-VXGBXAGGSA-N 303.366 -0.288 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1nnn(CC)c1CC 1133763311 QOLKOPUWJISMMB-LLVKDONJSA-N 320.397 -0.682 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)C[C@H](C)NCc1nonc1C 1134130697 LJKGDMZEDTZVMU-WDEREUQCSA-N 321.381 -0.110 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)c1cnn(CC)n1 1134266010 RXEQPTGRAAGGTJ-NWDGAFQWSA-N 320.397 -0.466 30 20 DBED C#CCCN[C@H](C)C[C@H](C)NC(=O)CN1CCN(C)C(=O)C1 1134787267 JQGGTXQDODDLFD-KGLIPLIRSA-N 308.426 -0.343 30 20 DBED C=CCCn1cc(C(=O)NCCN[C@@H](C)C(=O)NC2CC2)nn1 1135075335 GJIMBZQJYFRYEX-NSHDSACASA-N 320.397 -0.159 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCN[C@@H](C)c1nnnn1C 1135142227 LUMDSYYGPNZJLW-SRVKXCTJSA-N 308.386 -0.042 30 20 DBED COc1ccc(CC(=O)NCCNCC(=O)NCC#N)c(F)c1 1146364328 OHLPJFSEGNGXHC-UHFFFAOYSA-N 322.340 -0.278 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1nn(C)c2ccccc12 1148470975 QNKMEOZBLFVQPH-UHFFFAOYSA-N 313.361 -0.358 30 20 DBED CC(C)S(=O)(=O)CC(=O)NC[C@H]1CN(CC#N)CCCO1 1150731575 MXURZOAVJLUNDW-LBPRGKRZSA-N 317.411 -0.460 30 20 DBED CC(C)[C@@H](C(=O)NCCNCC(=O)NCC#N)N1CCCC1 1152473578 WWFGJCZUXWPMOJ-AWEZNQCLSA-N 309.414 -0.548 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)C1=CCOCC1 1152912566 HBKAOTWCXDZSQS-GFCCVEGCSA-N 308.382 -0.201 30 20 DBED C#CCNC(=O)CC(=O)NCCCNC[C@H]1C[C@]12CCOC2 1156853081 XRXXCZQENNWPOI-CJNGLKHVSA-N 307.394 -0.352 30 20 DBED C=CCNC(=O)CNCCCNC(=O)CCc1ccncn1 1159045795 SCZFFQSRRMXMOJ-UHFFFAOYSA-N 305.382 -0.193 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)c1cc2n(n1)CCC2 1159446347 JGQRCMMTKAORBA-GFCCVEGCSA-N 317.393 -0.323 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)C[C@H]1CCCC(=O)N1 1162184038 QZYKWYAWCAJLHU-CHWSQXEVSA-N 322.409 -0.721 30 20 DBED C#CCN1CCC(CNC(=O)[C@@]2(C)CNC(=O)C2)(COC)CC1 1162374071 TWQGJVBPIJJPOF-MRXNPFEDSA-N 321.421 -0.009 30 20 DBED C#CCNC(=O)CNCC1(CCNC(=O)c2n[nH]cc2C)CC1 1164471689 NVJQTFOXAJFVHY-UHFFFAOYSA-N 317.393 -0.043 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@@H]1CCC[C@H](C(N)=O)C1 1167505067 RGQJBXNZYAGWRH-QWHCGFSZSA-N 322.409 -0.877 30 20 DBED Cc1n[nH]c(C)c1CCC(=O)NCCCNCC(=O)NCC#N 1175822937 DQCMJKQUXMCUIM-UHFFFAOYSA-N 320.397 -0.305 30 20 DBED C[C@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)c1cc(C#N)c[nH]1 1178422516 PSSHBVPWJOMLLP-JQWIXIFHSA-N 314.349 -0.281 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)c2cnnn2C)[C@H]1C 1178595154 POBGCTNGRMZROQ-WOPDTQHZSA-N 320.397 -0.302 30 20 DBED CNC(=O)CC(=O)N1C[C@@H](C)[C@](C)(CNCC#CCOC)C1 1181239761 FTUCPLKKWKGRFK-CZUORRHYSA-N 309.410 -0.154 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2nn(C)cc2C)C1 1182440818 FJCWBIRQNMLHLG-QWHCGFSZSA-N 317.393 -0.329 30 20 DBED C#CCNC(=O)CNC[C@@H]1CCN(C(=O)c2cnon2)C[C@@H]1C 1185335722 FDVQNAIPJNZOMI-RYUDHWBXSA-N 319.365 -0.493 30 20 DBED C#CCCN[C@@H]1CCN(C(=O)Cn2ncn3nccc3c2=O)C1 1186031331 JTXPXEFWNCHEIN-GFCCVEGCSA-N 314.349 -0.895 30 20 DBED CCn1ccc(C(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)n1 1186074636 HMWWYSPHDHVCNM-LLVKDONJSA-N 304.354 -0.653 30 20 DBED C=C(C)CCN[C@@H]1CCN(C(=O)[C@H](CCC(N)=O)NC(C)=O)C1 1186376784 HOSNXAXBHZNACT-KGLIPLIRSA-N 324.425 -0.087 30 20 DBED C#CCCN[C@@H]1CCN(C(=O)Cc2c(C)nc(O)nc2O)C1 1186545796 LDXKVDUXHBYKPD-LLVKDONJSA-N 304.350 -0.047 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)[C@@H](C)n2cccn2)C1 1188974505 QDFPQBGWFHJQIN-ZIAGYGMSSA-N 317.393 -0.274 30 20 DBED CN(CC(=O)NCC#N)[C@H]1CCN(C(=O)C[C@@H]2CCOC2)C1 1189489279 HZZZQAPNQIQVDR-STQMWFEESA-N 308.382 -0.415 30 20 DBED COCCOCCN1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 1192298490 RMCYVRSJZAWAAB-ZIAGYGMSSA-N 322.365 -0.676 30 20 DBED CCn1ncnc1CN1C[C@@H](O)[C@H](NC(=O)C#CC2CC2)C1 1192770278 ICLTXJDMSZGZNE-CHWSQXEVSA-N 303.366 -0.627 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)Cc2cn(CC)nn2)C1 1194880588 BDFMJOFVOZYYFJ-ZIAGYGMSSA-N 323.397 -0.796 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)[C@@H]2CCCN2C)CC1 1195275024 OFJJOFJUDBKVLI-AWEZNQCLSA-N 308.426 -0.083 30 20 DBED C[C@@H](C#N)C(=O)N1CCCN(CC(=O)NC[C@H]2CCCO2)CC1 1195314578 NBZUIYGDDZTLNJ-UONOGXRCSA-N 322.409 -0.024 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)[C@H](C)c2cncnc2)C1 1195581567 USKNVTXIUVGSAP-BPLDGKMQSA-N 318.377 -0.609 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)c2ccn(CC)n2)C1 1196637850 NTDHNUCDOYVOLD-ZIAGYGMSSA-N 308.382 -0.120 30 20 DBED C=CCOCC(=O)N1CCCO[C@@H](CNCc2nnn(C)n2)C1 1200108714 HVDQPAAKWRNBIT-LBPRGKRZSA-N 324.385 -0.880 30 20 DBED C=CCCCNC1CCN(C(=O)Cn2cnc(C(N)=O)n2)CC1 1200644759 QCAGUQWQUGPRJD-UHFFFAOYSA-N 320.397 -0.076 30 20 DBED COC[C@]1(C(=O)N2CCCO[C@@H](CNCC#N)C2)CCOC1 1201089700 QPGUBBUOPJNIKS-DZGCQCFKSA-N 311.382 -0.230 30 20 DBED C#CCNC[C@H]1CN(C(=O)C(C)(C)NC(=O)NC)CCCO1 1202142516 XIMHORXNGWPTNX-LBPRGKRZSA-N 310.398 -0.466 30 20 DBED C=C(C)CNC[C@@H]1CN(C(=O)C[C@@H]2CC(=O)NC2=O)CCCO1 1202249683 CYAWLHCXOOGGCI-QWHCGFSZSA-N 323.393 -0.178 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@H](NC(=O)CCOC)C12CCC2 1202271423 WUUUQKSQGQJZLQ-STQMWFEESA-N 307.394 -0.211 30 20 DBED CCC[C@H](C(=O)N1CCC(CNCC#N)CC1)S(N)(=O)=O 1205762558 JUNJZRLMOVRZSY-GFCCVEGCSA-N 316.427 -0.205 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)[C@@H](F)C(F)(F)F 1207022795 NRLJSOBJPTWQQJ-NQMVMOMDSA-N 324.278 -0.037 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCN(C(=O)c2cscn2)C1 1207661121 VPQSWECIVFWGDF-SNVBAGLBSA-N 307.379 -0.023 30 20 DBED C=CCOCC(=O)N1CCC[C@H](NCCN2C(=O)CNC2=O)C1 1207679498 AICPSMLEMNXHQC-LBPRGKRZSA-N 324.381 -0.679 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC[C@H](NCCS(C)(=O)=O)C1 1208018879 VVTWIVAYRBDIPC-OLZOCXBDSA-N 316.423 -0.350 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)C2CCN(C)CC2)[C@H](C)C1 1208485946 XLCQUKJQZXDJPJ-UKRRQHHQSA-N 320.437 -0.486 30 20 DBED COC[C@@H](O)CN1C[C@@H](NC(=O)C#CC(C)(C)C)[C@H](OC)C1 1212253203 AIFOCHYYIUEHJV-BFHYXJOUSA-N 312.410 -0.141 30 20 DBED COCC#CCN1C[C@@H](NC(=O)c2[nH]c(O)nc2C)[C@H](OC)C1 1212438936 LXKLENMPSSHYDK-VXGBXAGGSA-N 322.365 -0.497 30 20 DBED CCC[C@@H](OC)C(=O)N1C[C@@H](NCC(=O)NCC#N)[C@H](C)C1 1215300745 DQZDRIKVGCXSOJ-JHJVBQTASA-N 310.398 -0.122 30 20 DBED C[C@@H]1CN(C(=O)C[C@H]2CCN(C)C2)C[C@H]1NCC(=O)NCC#N 1216383048 HBLKVMUOIVRJFU-MGPQQGTHSA-N 321.425 -0.596 30 20 DBED CC#CCN[C@@H]1CN(C(=O)[C@@H]2CN(C(C)=O)CCO2)C[C@H]1C 1216627206 SHBIZRGAZJZLPF-YUELXQCFSA-N 307.394 -0.307 30 20 DBED C=C(C)CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H](C)NC(N)=O 1217725798 YBBCAIZWFGCMPY-RWMBFGLXSA-N 310.398 -0.079 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)c2ccccc2)C1 1219110363 LXAJLRDOBWMKQL-CFVMTHIKSA-N 315.373 -0.401 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)C2(COC)CCOCC2)C1 1219765601 RPCQRIUIGLXVAS-KGLIPLIRSA-N 310.394 -0.386 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H](C)C2CCC2)C1 1219863155 ZATJZTLYSNQNHE-YUTCNCBUSA-N 309.410 -0.114 30 20 DBED C=CCNC(=O)NC(=O)CN1CC[C@@H]2CCN(C(C)=O)C[C@@H]21 1222155746 UFTISAFCMDTGAP-STQMWFEESA-N 308.382 -0.059 30 20 DBED COCC#CCN1CC[C@@H]2CCN(C(=O)[C@H]3COCCO3)C[C@@H]21 1222283940 MEVUHLSBAPUNTQ-OWCLPIDISA-N 322.405 -0.026 30 20 DBED C=CCNC(=O)CN1CCC(CNC(=O)c2ncn(C)n2)CC1 1223064949 HWTZPKMCRXPXOB-UHFFFAOYSA-N 320.397 -0.441 30 20 DBED CCO[C@H]1C[C@H]1C(=O)NC1CCN(CC(=O)NCC#N)CC1 1226228199 GMJDFGXEYSFBFB-OLZOCXBDSA-N 308.382 -0.368 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@@H]1CN(C)C(=O)c1cnccn1 1230637745 JOVJEPYTYLZOTF-QWHCGFSZSA-N 315.377 -0.239 30 20 DBED C=CCNC(=O)CN1CC[C@H]1CN(C)C(=O)c1ccc(O)nn1 1230699413 YGNHQFCAMOLDKG-NSHDSACASA-N 319.365 -0.369 30 20 DBED COCC#CCN1CC[C@@H]1CN(C)C(=O)c1cnn(C)c1N 1233819905 RPTSKFJMLWUAFE-GFCCVEGCSA-N 305.382 -0.202 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)NCc2ccc3c(c2)CCO3)CCO1 1257112004 ZHBQCRBTNXGLAW-ZDUSSCGKSA-N 315.329 -0.011 30 20 DBED Cc1nc2n(n1)CCN(C(=O)C(=O)NCC1(CC#N)CC1)C2 1261227309 QOGSYOCVBIWWFB-UHFFFAOYSA-N 302.338 -0.261 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)N2CC([C@@H]3CCOC3)C2)C1 1261486703 DDAGXTYHFGBRCT-ABAIWWIYSA-N 307.350 -0.642 30 20 DBED C#CCCn1nnnc1N1CCN(c2ncc(F)cn2)CC1 1262438189 SVIWYHPNVRGIHX-UHFFFAOYSA-N 302.317 -0.048 30 20 DBED C#CCNC(=O)CNC[C@H]1CCCN1C(=O)CN(C)C(C)C 1267970362 SGAPXBDFMQXHFF-CQSZACIVSA-N 308.426 -0.343 30 20 DBED CCN(CC(=O)N(C)C)C(=O)C(=O)Nc1cnn(CC#N)c1 1319959338 BTAILYMFCLXOKU-UHFFFAOYSA-N 306.326 -0.718 30 20 DBED Cn1ncc(CCCNC(=O)C(=O)Nc2ccc(C#N)cn2)n1 1324533769 VPRNFTXDSKLLOU-UHFFFAOYSA-N 313.321 -0.231 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CC[C@@H](n2cncn2)C1)[C@@H]1CCCO1 1327257311 BOVIVYKAMYOAQP-AGIUHOORSA-N 317.349 -0.652 30 20 DBED COCC1CCN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)CC1 1329454175 ULXBANVQVMVDBP-OAHLLOKOSA-N 309.366 -0.252 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N[C@@H](C)c1nnnn1C1CC1 1329943934 JEJXEBQERQTRHQ-DTWKUNHWSA-N 308.342 -0.498 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N1C[C@@](C)(CO)[C@@](C)(CO)C1 1330309317 IKMIPBDKURGVNW-TUKIKUTGSA-N 314.382 -0.857 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)NCCCC(=O)N(C)C 1330556292 WJARWOLLTMPFAR-GFCCVEGCSA-N 311.382 -0.484 30 20 DBED C#CCCCCNC(=O)C(=O)N[C@H]1CS(=O)(=O)C[C@H]1C 1332909885 MQCGGMFGOCFARD-MNOVXSKESA-N 300.380 -0.545 30 20 DBED CC(C)N1CCN(C(=O)C(=O)N2CCC[C@H](C#N)C2)CC1=O 1336416723 FLZMLCPAIALSSP-GFCCVEGCSA-N 306.366 -0.172 30 20 DBED C=CCCN(C)c1nnnn1CCOCCS(C)(=O)=O 1337225472 DVRNNQAPYSPEPB-UHFFFAOYSA-N 303.388 -0.253 30 20 DBED C=CCn1c([C@H]2CNC(=O)C2)nnc1N(C)C[C@H]1COCCO1 1338001515 AMXIBMRZZIZUCR-NEPJUHHUSA-N 321.381 -0.081 30 20 DBED COCCN(C)CCNC(=O)C(=O)Nc1ccn(CCC#N)n1 1340169838 HAYNCQHURHJDMO-UHFFFAOYSA-N 322.369 -0.570 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CCC[C@@H](OCCO)C1 1343080710 PKQFIYSLCKCXCQ-VXGBXAGGSA-N 300.355 -0.697 30 20 DBED COC[C@]1(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CCNC1 1349108763 KDLJEKPBAPHMLI-LLNWESEBSA-N 322.365 -0.745 30 20 DBED CC[C@@]1(O)CCN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1 1351849554 UJOPMFDTCYYUGP-XJKSGUPXSA-N 320.393 -0.441 30 20 DBED CS(=O)(=O)NCc1ccc(C(=O)N2CCO[C@@H](C#N)C2)o1 1362061622 VEZJCDNKYPTWEY-JTQLQIEISA-N 313.335 -0.307 30 20 DBED COC[C@@H]1CN(C(=O)Cn2cc(C#N)c(O)nc2=O)C[C@H](C)O1 1362519787 KBQWDEGINONDMV-ONGXEEELSA-N 322.321 -0.917 30 20 DBED N#Cc1ccc(NCC(=O)N2CCOC[C@H]2c2nn[nH]n2)nc1 1363202062 AGCYCSAOVIYONC-JTQLQIEISA-N 314.309 -0.522 30 20 DBED Cn1c(=O)[nH]c(N2CCC[C@@H](Cn3ccnn3)C2)c(C#N)c1=O 1363730108 VCVJSUBCJYIEGH-SNVBAGLBSA-N 315.337 -0.547 30 20 DBED C[C@H](CNCC(=O)N1CCOCC1)NC(=O)c1cc(C#N)c[nH]1 1367670092 XVYZIKMQWWHAEF-LLVKDONJSA-N 319.365 -0.547 30 20 DBED CC(C)[C@@H](O)C(=O)N(C)C[C@H](O)CNC(=O)c1c[nH]c(C#N)c1 1384221046 PCRQBRLXDZZTEC-CHWSQXEVSA-N 322.365 -0.548 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)CCS(C)(=O)=O)[C@H]2C1 1386102152 FPQBPPCSENUBIN-UXCLJVHYSA-N 313.379 -0.846 30 20 DBED Cc1nnc(N2CCO[C@H](C#N)C2)n1CC(=O)NCC1CC1 1390918529 LXBAMUGKJZYKQF-GFCCVEGCSA-N 304.354 -0.159 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1ccc2n[nH]cc2c1 1392157538 HQSYOSZMDAYMLZ-SKDRFNHKSA-N 315.333 -0.071 30 20 DBED CCOCC(=O)N(CCO)C1CCN(C(=O)[C@H](C)C#N)CC1 1396629728 VZWQPJWFRHRRIQ-GFCCVEGCSA-N 311.382 -0.006 30 20 DBED C[C@H](CNC(=O)c1c[nH]c(C#N)c1)NC(=O)[C@H]1CCCC(=O)N1 1410231693 PYPWRAHLZZPJAM-BXKDBHETSA-N 317.349 -0.210 30 20 DBED COc1cc(C#N)ccc1C(=O)NC[C@@]1(O)CCS(=O)(=O)C1 1412139596 RMFFRUCBIAWJST-AWEZNQCLSA-N 324.358 -0.154 30 20 DBED CN1CCC(O)(CNC(=O)CNc2ccc(C#N)cn2)CC1 1417651793 GCETXOCNZXTJEF-UHFFFAOYSA-N 303.366 -0.062 30 20 DBED C=C(Cl)CN1CC(O)(CNC(=O)c2cc(=O)n(C)cn2)C1 1423834243 JLVOFQOHXKCKKP-UHFFFAOYSA-N 312.757 -0.691 30 20 DBED C[C@H](CN(C)C(=O)c1cc(C(N)=O)ccn1)NC(=O)[C@H](C)C#N 1425134155 MPBGWWMSROJAOO-NXEZZACHSA-N 317.349 -0.083 30 20 DBED CO[C@@H](C)C(=O)NC[C@@H](O)CN(C)C(=O)c1cc(C#N)c[nH]1 1425778525 SJIDAJMCJIMVTN-GXSJLCMTSA-N 308.338 -0.530 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)[C@@H]2CCCN(C(N)=O)C2)CC1 1432230474 DFDVTVBLBWBNNF-GHMZBOCLSA-N 321.381 -0.298 30 20 DBED C=C(Cl)CN(C)CCN(C)C(=O)[C@@H]1CCS(=O)(=O)N1 1445084587 AWAONHIGSKXYHK-JTQLQIEISA-N 309.819 -0.179 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CCN(C(=O)CCCn2cncn2)C1 1447378567 DDJCGJMOGQSIHM-RYUDHWBXSA-N 304.354 -0.065 30 20 DBED CCC(=O)N1CC[C@H](C(=O)N(C)CCNC(=O)[C@@H](C)C#N)C1 1449187403 JJKPWMQKMIXVTF-RYUDHWBXSA-N 308.382 -0.021 30 20 DBED CC(C)[C@@H](O)C(=O)N(C)CCN1CCN(C(=O)[C@H](C)C#N)CC1 1450099315 URPYOSOWEMQURA-ZIAGYGMSSA-N 324.425 -0.234 30 20 DBED N#Cc1ncn(CCNC(=O)N2CC[C@@H](C3OCCO3)C2)n1 1478604238 YCXNMKOPYWIFIJ-SNVBAGLBSA-N 306.326 -0.446 30 20 DBED C[C@H](CNCc1cc(C#N)ccc1F)NC(=O)Cn1cnnn1 1483108073 WHVKRMRVZPDRHO-SNVBAGLBSA-N 317.328 -0.022 30 20 DBED C#CCNC[C@H]1CCCN1C(=O)[C@@H]1Cc2cncn2C(=O)N1 1483937822 KPFQGCSSVZSZEU-YPMHNXCESA-N 301.350 -0.421 30 20 DBED CCN(CCNC(=O)Cn1ncnn1)C(=O)c1cc(C#N)c[nH]1 1528867743 GSOFQHKNMGTXRU-UHFFFAOYSA-N 316.325 -0.849 30 20 DBED C[C@@]1(C(=O)O)CN(CC(=O)N(CCC#N)CCC#N)CCO1 1573606468 QVEDNEYJEOYTAS-AWEZNQCLSA-N 308.338 -0.182 30 20 DBED N#Cc1cc(C(=O)NC[C@@]2(O)CCN(Cc3cnn[nH]3)C2)c[nH]1 1577712437 MUVCOWHHYJNAKX-AWEZNQCLSA-N 315.337 -0.629 30 20 DBED N#Cc1cccc(-c2nn[nH]n2)c1NC[C@H](O)Cn1ccnn1 1581874604 YXKFLPZSEWWUNC-JTQLQIEISA-N 311.309 -0.197 30 20 DBED C=CCNC(=O)CN1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1C[C@@H]1C(=O)O 1588839243 PWBDKNLSQYNKHW-XQHKEYJVSA-N 321.377 -0.316 30 20 DBED C[C@@H](OC(=O)CNC(=O)c1ccc(C#N)cc1)C(=O)C(=O)O 1593534183 RGGXZIOZIPGZPR-MRVPVSSYSA-N 304.258 -0.127 30 20 DBED C[C@@H]1CC[C@H](C(=O)O)N1C(=O)Cn1cc(C#N)c(O)nc1=O 1594217882 NWDNGXAYMCJAHX-VXNVDRBHSA-N 306.278 -0.715 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N[C@H](CC(=O)O)C2CC2)CCO1 1601063138 ONPRWMNHLZTXQC-NXEZZACHSA-N 303.340 -0.702 30 20 DBED CC(C)(C#N)CS(=O)(=O)N1CCN(CCC(=O)O)CC1 1603230704 VRZVTPPQTJYDCR-UHFFFAOYSA-N 303.384 -0.042 30 20 DBED N#Cc1nc(N)n(C[C@@H]2C[C@@H]3COC[C@H]3O2)c1-c1nn[nH]n1 1606390162 ZPJUBTMZNIRPSA-BKPPORCPSA-N 302.298 -0.679 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 1606457099 IMLLKWMGADQCBM-LLVKDONJSA-N 324.348 -0.235 30 20 DBED CN(CCNS(C)(=O)=O)C(=O)COc1ccc(C#N)cc1 1649701564 NKYAINVFMTXAIV-UHFFFAOYSA-N 311.363 -0.055 30 20 DBED C#CCNC(=O)CN1CCC[C@@H](NC(=O)C[C@@H](C)COC)C1 1731355153 MGDHPZKRBSQICK-ZIAGYGMSSA-N 309.410 -0.011 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(CCNC(=O)[C@H](C)C#N)CC1 1752363239 LZZHHDKEBGBSBY-KGLIPLIRSA-N 321.425 -0.429 30 20 DBED C#CCOCCC(=O)N1CC[C@H](CN[C@@H](C)c2nnnn2C)C1 1752937897 DDVBZXIVBUQLKO-QWHCGFSZSA-N 320.397 -0.251 30 20 DBED COCCS(=O)(=O)CC(=O)N[C@H]1CCC[C@H](NCC#N)C1 1752971305 LAPUXUUOYAIVKJ-RYUDHWBXSA-N 317.411 -0.412 30 20 DBED C=CCN1CC[C@H](N(C)CCNC(=O)c2cn(C)c(O)n2)C1=O 1753062866 AJYUMAAMWAOOFB-LBPRGKRZSA-N 321.381 -0.426 30 20 DBED C[C@@H](CNCC(=O)NCC#N)CNC(=O)c1cccc(O)n1 1753608748 PSIHFZQGWHZFKJ-JTQLQIEISA-N 305.338 -0.618 30 20 DBED C[C@H]1CN(C(=O)CCCS(N)(=O)=O)CC[C@@H]1NCC#N 1753763894 XIWIPMIOLRRAGP-QWRGUYRKSA-N 302.400 -0.595 30 20 DBED N#CCNC[C@H](NC(=O)C1CC2(C1)CS(=O)(=O)C2)C1CC1 1754444756 OVRHZBPTFDMSCL-LBPRGKRZSA-N 311.407 -0.181 30 20 DBED C#CCCNC[C@H](NC(=O)Cn1nc(C)n(C)c1=O)C1CC1 1754459168 RJVPPTFBKKURTB-ZDUSSCGKSA-N 305.382 -0.602 30 20 DBED C=CCNC(=O)CN1CC[C@H]1CNC(=O)c1n[nH]c(C)c1O 1754478529 PPDFRYWTFUFJJE-JTQLQIEISA-N 307.354 -0.470 30 20 DBED CCc1ncncc1C(=O)NCC1(NCC(=O)NCC#N)CC1 1754534668 YDZBHOGGIVAYLH-UHFFFAOYSA-N 316.365 -0.469 30 20 DBED C#CCNC(=O)CN(C)CCCN(C)C(=O)c1coc(OC)n1 1755041282 OQGDNPRUHVFQRH-UHFFFAOYSA-N 322.365 -0.174 30 20 DBED COCCOCCN[C@@]1(CO)CCCN(C(=O)[C@@H](C)C#N)C1 1755081762 LMENURGPSWUWIP-ZFWWWQNUSA-N 313.398 -0.248 30 20 DBED C#CCNC(=O)[C@H](C)NCC1(O)CCN(C(=O)[C@H]2C[C@@H]2C)CC1 1755152558 NWGXTCXVWPBTAV-IHRRRGAJSA-N 321.421 -0.277 30 20 DBED C=CCCN1CC([C@H](C)NC(=O)CN2CCC(=O)NC2=O)C1 1755388922 LXZSSDHSORLHIL-NSHDSACASA-N 308.382 -0.059 30 20 DBED COCC#CCN1CC([C@@H](C)NC(=O)c2ccc(=O)n(C)n2)C1 1755390679 XDYJGVLKMDCOKJ-GFCCVEGCSA-N 318.377 -0.520 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@H]1C[C@H](NC(=O)[C@H]2CCCO2)C1 1755467860 DGAZBYRHRZUVHD-AAVRWANBSA-N 307.394 -0.212 30 20 DBED C#CCNC(=O)CN[C@@H]1C[C@H](C)N(C(=O)CCOCC#C)C1 1755679121 SDUWBTBYQNABOH-UONOGXRCSA-N 305.378 -0.645 30 20 DBED C#CCNC(=O)CNC[C@@H](O)CN(C)C(=O)c1ocnc1CC 1755788757 YXTHZNBSTANTOY-LLVKDONJSA-N 322.365 -0.991 30 20 DBED CC#CCNC[C@H](O)CN(C)C(=O)CCn1cnccc1=O 1755791838 PACIXAUTOSHXHP-ZDUSSCGKSA-N 306.366 -0.934 30 20 DBED C#CCOCCC(=O)N1CC([C@H](C)NC(=O)CC(=O)NCC)C1 1756136237 GOLNTWOBXJFLDY-LBPRGKRZSA-N 323.393 -0.484 30 20 DBED C=CCOCC(=O)N1CC[C@H]1CN(C)C(=O)CNC(=O)OC 1757276197 JZLJZMJPODIGSY-NSHDSACASA-N 313.354 -0.396 30 20 DBED C=CCCC(=O)N(C)C[C@H]1CCN1C(=O)c1nnc(O)nc1O 1757279564 YVPDBTREVGGBCP-SECBINFHSA-N 321.337 -0.078 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)Cn1cc(C)cn1)CCO2 1783049138 QDIRUAIVKQMDDE-INIZCTEOSA-N 316.361 -0.345 30 20 DBED CC(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1795071831 QVZLGXREVMDRRO-GNXNZQSNSA-N 308.334 -0.680 30 20 DBED C#CC(=O)N1CCCC12CN(C(=O)CCN1CCOCC1)C2 1845958694 LWRFISURJZGCTL-UHFFFAOYSA-N 305.378 -0.455 30 20 DBED COC(=O)CN(CC(=O)N[C@@](C)(C#N)C(C)C)CC(=O)OC 66236213 XJVFPHLCQOYFIF-AWEZNQCLSA-N 313.354 -0.311 30 20 DBED COC(=O)[C@H](c1cccc(C#N)c1)N1CCO[C@@H](C(N)=O)C1 267660682 ZMYRVIJTFHPLTB-OLZOCXBDSA-N 303.318 -0.042 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N[C@@H](C)[C@@H](CO)SC 272861358 PUKCLDCXLHLGIH-VHSXEESVSA-N 310.441 -0.001 30 20 DBED N#Cc1ccc2c(c1)N(C(=O)C(=O)N1C[C@@H](O)[C@H](O)C1)CC2 277549168 OCMIFJOIRPUCDG-CHWSQXEVSA-N 301.302 -0.989 30 20 DBED N#Cc1cncc(S(=O)(=O)N[C@@H](CCC(=O)O)C(=O)O)c1 290508449 IESMFIRUWXOYMI-VIFPVBQESA-N 313.291 -0.450 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)CCn2cnccc2=O)C1=O 293595125 KRBSMXOOMUETST-LBPRGKRZSA-N 304.350 -0.121 30 20 DBED CC(C)N1CC[C@H](/N=C(/O)N2CCN3CCOC[C@@H]3C2)C1=O 329852750 RRETWQVXZHEHLF-STQMWFEESA-N 310.398 -0.074 30 20 DBED Cn1c(N2CCOC3(CCOCC3)C2)c(C#N)c(=O)n(C)c1=O 330125893 BVSUKOVEYSAZRS-UHFFFAOYSA-N 320.349 -0.659 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCN(C[C@@H](C)O)CC1 330389827 OBVSDEYDVWBFFE-CHWSQXEVSA-N 318.443 -0.289 30 20 DBED CCOC(=O)C[C@@H](C)N(C)S(=O)(=O)N1CCO[C@@H](C#N)C1 336934083 DMWQTEIYPGUTHI-MNOVXSKESA-N 319.383 -0.271 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(C)[C@H]2CCC[C@@H]2O)C1=O 341787037 FAQHDFGPCKYNIB-UWVGGRQHSA-N 309.322 -0.665 30 20 DBED C[C@@H]1CS(=O)(=O)C[C@@H]1NS(=O)(=O)c1ccc(C#N)nc1 341937962 ITOJVXLEZXGJCA-KCJUWKMLSA-N 315.376 -0.335 30 20 DBED CC[C@@H](C#N)NC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 343434421 UGYHSLNBIUKGQX-OLZOCXBDSA-N 308.382 -0.415 30 20 DBED N#Cc1ccc(N2CCN(S(=O)(=O)c3nc[nH]n3)CC2)nc1 344546958 SSEKMBDKJAQFMR-UHFFFAOYSA-N 319.350 -0.418 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@H](O)C[C@H]2C)C1=O 346713514 GQKHWTYRDFGLIX-NXEZZACHSA-N 309.322 -0.665 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N[C@@H]1CCn2ccnc2C1 346973132 IHUSZNOSCQMIRK-GFCCVEGCSA-N 306.366 -0.025 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCCN(C)C1=O 354039969 VKXFTDCDRSFPBN-AGIUHOORSA-N 323.393 -0.179 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCCc2cnn(C)c2)C1=O 354623566 PZPDYFKGIGCFMW-UHFFFAOYSA-N 319.321 -0.944 30 20 DBED CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)CC#N)c1 356266500 GETFSKJLTCDRAI-VIFPVBQESA-N 324.362 -0.048 30 20 DBED COc1ccc(C(=O)NCC(=O)N2CC(O)(CC#N)C2)cc1 356570992 CGRQHUXMCZEYRN-UHFFFAOYSA-N 303.318 -0.088 30 20 DBED C=CCN(CCOC)C(=O)C1CCN(S(N)(=O)=O)CC1 361079646 KTXILOSPHUFTDP-UHFFFAOYSA-N 305.400 -0.437 30 20 DBED N#CCNC(=O)CNC(=O)N1CC[C@](CO)(c2ccccc2)C1 362113983 PHLNTHDRBVHNCN-INIZCTEOSA-N 316.361 -0.028 30 20 DBED CC(C)n1cc(C#N)c(NC(=O)C(=O)N(C)CC(C)(C)O)n1 440384546 IWBDFPNGCHXHNX-UHFFFAOYSA-N 307.354 0.503 30 20 DBED COC(=O)[C@@H]1CNC(=O)CN1CCOc1cccc(C#N)c1 447906669 YBFDDRXJKNODOH-ZDUSSCGKSA-N 303.318 -0.090 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCCC[C@H]2COC)C1=O 456931413 IHPNBZNJJSFPTM-NSHDSACASA-N 323.349 -0.009 30 20 DBED C#C[C@H](C)N(C)C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C 491453436 RFMRCOZZIADHOW-VIFPVBQESA-N 300.318 -0.274 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(CCO)CC2)C1=O 551130458 SLZCEPBGNMSOCZ-UHFFFAOYSA-N 323.349 -0.416 30 20 DBED CN(C)C[C@](C)(C#N)NC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O 577563678 KWISVTPDJUWNQN-LSDHHAIUSA-N 321.381 -0.333 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C2(S(N)(=O)=O)CC2)C1=O 581255889 JLKRRLJSECMQPV-VIFPVBQESA-N 301.368 -0.947 30 20 DBED N#CCNC(=O)CNC(=O)Nc1cnn(C[C@@H]2CCCO2)c1 588252904 MQCALCKISKXNTB-NSHDSACASA-N 306.326 -0.177 30 20 DBED COCCOCCN(CCO)S(=O)(=O)CC1(C#N)CCC1 599389922 BNEMLNUQLYWLFV-UHFFFAOYSA-N 320.411 -0.033 30 20 DBED C[C@@H](O)CN(CC#CCN1C(=O)c2ccccc2C1=O)CCO 625433208 RTHHYMQKLHRFSD-CYBMUJFWSA-N 316.357 -0.039 30 20 DBED N#C[C@@H]1CN(CN2C(=O)C(=O)N(C3CCCC3)C2=O)CCO1 729986931 NMSQZRLMYHHTQC-LLVKDONJSA-N 306.322 -0.098 30 20 DBED CNC(=O)c1ccc(Cn2c(N)nc(-c3nn[nH]n3)c2C#N)cc1 736877831 POAOIRRLMNLTKJ-UHFFFAOYSA-N 323.320 -0.075 30 20 DBED N#Cc1cc(-c2nn[nH]n2)c(SC[C@@H]2CNC(=O)O2)nc1N 737705217 OTBTZLYYMULQEU-LURJTMIESA-N 318.322 -0.084 30 20 DBED COC(=O)CN(CC#N)CC(=O)Nc1ccccc1C(N)=O 746454527 CIYVVAVSNUOFDV-UHFFFAOYSA-N 304.306 -0.277 30 20 DBED CS(=O)(=O)NN=Cc1ccc(OCC(=O)O)c([N+](=O)[O-])c1 764699130 KAWDIUDSLLLCSE-UHFFFAOYSA-N 317.279 -0.059 30 20 DBED C#CCC[C@@H](O)CNC(=O)N[C@H]1CCc2nc(COC)nn2C1 798435847 BEKHYFDYWVUGFU-NWDGAFQWSA-N 321.381 -0.187 30 20 DBED COC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)NC(=O)CSCC#N 802156888 BPLRTIBSXDJKQH-JGVFFNPUSA-N 308.381 -0.113 30 20 DBED Cn1nc(Br)cc1C(=O)NCC(=O)NCC#N 804821436 NZUVKSSBMKXHOQ-UHFFFAOYSA-N 300.116 -0.448 30 20 DBED C=C[C@@H](O)C(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1 827455251 BORBEXMQBVMARX-SECBINFHSA-N 312.338 -0.086 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)c2c[nH]cc2C)CC1 831556000 FASWRKHTYDAMDK-UHFFFAOYSA-N 310.379 -0.451 30 20 DBED N#C[C@@H]1CN(C(=O)[C@H](CO)NC(=O)c2cccc(F)n2)CCO1 845447541 DKKMWWJEKJDUNS-KOLCDFICSA-N 322.296 -0.938 30 20 DBED C#CC[C@@H](CCOC)NC(=O)c1nc(C)n(-c2nc[nH]n2)n1 863790738 OHONQMSTCTYHLR-JTQLQIEISA-N 303.326 -0.148 30 20 DBED C=CCNC(=O)[C@@H](C#N)C(=O)Cn1nnc2ccccc2c1=O 916918081 PPPMUOFWHSMOHG-NSHDSACASA-N 311.301 -0.197 30 20 DBED NC(=O)[C@@]1(c2ccccc2)CCN(C(=O)NCC#CCO)C1 923764663 YRYBVAPCQZZYHK-INIZCTEOSA-N 301.346 -0.179 30 20 DBED Cn1cc(C(=O)N[C@@H]2CCN(C(=O)C#CC3CC3)C2)ncc1=O 942058885 FOZCHWZWPYMETC-GFCCVEGCSA-N 314.345 -0.476 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cnc(O)n(C)c2=O)C[C@H]1C 947603700 YEUJQLLCBWGWTD-MNOVXSKESA-N 304.350 -0.298 30 20 DBED C[C@@H]1C[C@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)CCN1CC#N 947895727 QXPPZERDDGRMOC-GHMZBOCLSA-N 321.381 -0.191 30 20 DBED C#CCCN1CCC[C@H](N(C)C(=O)CN2CC(=O)NC2=O)CC1 948865364 PKIGAWUXHKUFOE-ZDUSSCGKSA-N 320.393 -0.126 30 20 DBED N#CCN1CCC2(CC1)CN(C(=O)[C@@H]1CCC(=O)NC1)CCO2 949129444 JZGPIJXEXNBLJI-CYBMUJFWSA-N 320.393 -0.270 30 20 DBED C=CCCn1cc(C(=O)NC[C@H]2CCN2C(=O)CC(N)=O)nn1 950184096 IIQKLWBMKBCPAA-SNVBAGLBSA-N 320.353 -0.940 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@](C)(NC(=O)c2cnn(C)c2N)C1 956844550 CZNRCOJRAHUAHA-XPTSAGLGSA-N 304.354 -0.117 30 20 DBED N#CCN1C[C@H](O)[C@H](CNC(=O)c2ccc3nc(O)[nH]c3n2)C1 958345710 QUFNOQMKGCBTHM-KCJUWKMLSA-N 316.321 -0.790 30 20 DBED Cn1cnc2nc(O)cc(C(=O)NC3[C@@H]4CN(CC#N)C[C@@H]34)c21 960231236 BMRNZYAZPBKAKK-NXEZZACHSA-N 312.333 -0.143 30 20 DBED C#Cc1cncc(C(=O)N[C@H]2[C@@H]3CN([C@@H](C)C(=O)NC)C[C@@H]32)c1 961723861 UAYZSWKQIFEAGE-BSLXNSKLSA-N 312.373 -0.143 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CN(C(=O)[C@H]3CCNC3=O)C[C@H]2C1 962051367 VSGYSMXXVGZUIR-WYUUTHIRSA-N 304.350 -0.801 30 20 DBED CN1CC[C@H](C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2O)C1 963422571 XBWGIAPICLIYOT-MJBXVCDLSA-N 305.378 -0.961 30 20 DBED O=C1NC[C@H](C(=O)NC[C@H]2CCCCN2C(=O)C#CC2CC2)N1 964495669 AIGIKLYNLNTFDB-CHWSQXEVSA-N 318.377 -0.422 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC12CCN(C(=O)C(N)=O)CC2 965461251 JFPAJQMOTJKRRI-GRYCIOLGSA-N 321.377 -0.440 30 20 DBED CC#CCN1CC[C@@H](C)[C@H](NC(=O)CN2CC(=O)NC2=O)C1 968431727 OSQUZSPUKOGBLE-VXGBXAGGSA-N 306.366 -0.612 30 20 DBED CC#CCN1CC[C@H](C)[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)C1 968602053 OUTOESVUVPNAOG-JSGCOSHPSA-N 319.409 -0.260 30 20 DBED C=C1CC(C)(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@@H]3CCNC3=O)C2)C1 969521608 IYXPHOIKNYZLPA-UTUOFQBUSA-N 321.377 -0.833 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@H]3COC(=O)N3)C[C@@H]2O)C1 970395014 MWSMYJCQFSAQNR-MXWKQRLJSA-N 323.349 -0.861 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)c3cnc(O)n3C)C2)C1 972493906 LFWAPELBRMGRLZ-OAHLLOKOSA-N 304.350 -0.324 30 20 DBED N#Cc1cc(C(=O)NC[C@@H]2CCCN(C(=O)CC(N)=O)C2)c[nH]1 975211392 BSLKFOXWCYXYGH-JTQLQIEISA-N 317.349 -0.270 30 20 DBED O=C1NCCC[C@@H]1C(=O)N[C@H]1[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]21 976675726 SAEJWNHGHZTRLI-RMRHIDDWSA-N 315.373 -0.501 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2[C@H](NC(=O)c3cnn[nH]3)[C@H]2C1 976817451 ZKTRATNSRZJXIU-CULRXLKQSA-N 317.349 -0.418 30 20 DBED C=CCCN1C[C@H]2[C@H](CNC(=O)[C@@H]3CCS(=O)(=O)N3)[C@H]2C1 979069511 BKANUXOCXYVRQZ-RVMXOQNASA-N 313.423 -0.452 30 20 DBED C[C@@]12CN(CC#N)C[C@]1(C)CN(C(=O)C[C@@H]1CC(=O)NC1=O)C2 982855575 SWZBCPTYQBGLDC-KNXALSJPSA-N 318.377 -0.267 30 20 DBED C=C(Cl)CN[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)[C@@H]1C 987481661 KYOANJYNYGQYOV-ZJUUUORDSA-N 314.773 -0.130 30 20 DBED C#Cc1ccc(C(=O)N2C[C@H](NCC(N)=O)C(C)(C)C2)cn1 996537319 XPHZRFINJORLJX-ZDUSSCGKSA-N 300.362 -0.012 30 20 DBED CC(=O)N1CCOC[C@@H]1C(=O)N1C[C@@H](NCC#N)C(C)(C)C1 996640962 CWPGZHGIUHBRLE-CHWSQXEVSA-N 308.382 -0.416 30 20 DBED C#CCN1CC[C@@H](n2cc(CNC(=O)c3ncn(C)n3)nn2)C1 999989204 FADWDKUOSZAWCZ-GFCCVEGCSA-N 314.353 -0.783 30 20 DBED C#CCN1CCC(CNC(=O)c2cn(CCOC)nn2)CC1 1001391658 DYRMPSXQNVAIKI-UHFFFAOYSA-N 305.382 -0.001 30 20 DBED C=CCN1CCC(CNC(=O)c2cn(CC(N)=O)nn2)CC1 1002160156 UHZPHXSIIPJOKB-UHFFFAOYSA-N 306.370 -0.609 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C(=O)[C@@H]2CCNC(=O)CC2)CC1 1011680399 SECLUSFUNIAKFW-NEPJUHHUSA-N 306.366 -0.267 30 20 DBED CC(=O)N1CC[C@H](C(=O)N2CCN(C(=O)[C@H](C)C#N)CC2)C1 1011986684 XPHMHHAKOQEQGY-YPMHNXCESA-N 306.366 -0.315 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1[C@H]2CC[C@H]1CN(CC(=O)NC)C2 1017628961 WCKROMQVNRQXID-KKUMJFAQSA-N 318.421 -0.495 30 20 DBED C=C1CCC(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cnn[nH]3)C2)CC1 1024548152 OKYWCSPMFYQCLR-CHWSQXEVSA-N 319.365 -0.147 30 20 DBED C#CCN1CC[C@@H](CNC(=O)[C@@H]2CC(=O)N(CCOC)C2)C1 1028577896 HPFDXIIARSPMFY-UONOGXRCSA-N 307.394 -0.447 30 20 DBED C#CCCN1CC[C@H](N(CC)C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 1033980344 WLFVHDDVJFZVLT-RYUDHWBXSA-N 306.366 -0.469 30 20 DBED C#CCCN1CCCC[C@@H](NC(=O)CN2CCC(=O)NC2=O)C1 1034472907 DAZNCAUWZYZWMJ-CYBMUJFWSA-N 320.393 -0.078 30 20 DBED C=CCCn1cc(C(=O)NC[C@H]2CCN2[C@@H](C)C(=O)NC)nn1 1038788830 CDUSPNQEOSUJFH-NWDGAFQWSA-N 320.397 -0.207 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2CCN2Cc2cn(C)nn2)nn1 1038788986 DDHYQVRTMMDWNX-LBPRGKRZSA-N 316.369 -0.403 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCN1Cc1nnn(C)n1 1038807818 NBMIZEGRSPPJPS-OBJOEFQTSA-N 320.397 -0.118 30 20 DBED C[C@@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)Cc2ncc[nH]2)C1 1040758892 CLYLXHOBIDRPGZ-IINYFYTJSA-N 305.338 -0.809 30 20 DBED N#CCN1CCC2(CC1)CCN(C(=O)CN1C(=O)CNC1=O)C2 1040930118 LAGCXAYFXODQTF-UHFFFAOYSA-N 319.365 -0.624 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(O)(CNC(=O)C(F)F)C1 1041082071 VMKRMEAKQRECDN-ZJUUUORDSA-N 318.320 -0.078 30 20 DBED N#CCN1CC[C@]2(CCN(C(=O)[C@H]3CCS(=O)(=O)N3)C2)C1 1041836037 NYEGKCIUTRAJFT-YPMHNXCESA-N 312.395 -0.874 30 20 DBED C[C@H]1OCC[C@H]1C(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042960881 PMQDUENCSNFEMN-DGCLKSJQSA-N 306.362 -0.486 30 20 DBED O=C(NCC1(O)CN(C(=O)C#CC2CC2)C1)c1ccsn1 1043596011 OQARNNFSGHUDAG-UHFFFAOYSA-N 305.359 -0.140 30 20 DBED CCNC(=O)CCCC(=O)NCC1(O)CN(C(=O)[C@@H](C)C#N)C1 1044051732 NMENFIRMBRGCPM-NSHDSACASA-N 324.381 -0.858 30 20 DBED C=CCN1CC[C@H](N2CC(N(C)C(=O)Cc3ncc[nH]3)C2)C1=O 1044091943 MXZDCSZSMJECKE-ZDUSSCGKSA-N 317.393 -0.118 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)c2ncccn2)C1 1044459745 BRRKDEPQEGAXAD-UHFFFAOYSA-N 304.350 -0.008 30 20 DBED Cc1cc(C(=O)N2CC(O)(CNC(=O)[C@H](C)C#N)C2)c(C)nn1 1045551269 GROAISURSGTMRT-SECBINFHSA-N 317.349 -0.444 30 20 DBED C[C@]1(NC(=O)[C@H]2CCc3nnnn3CC2)CCN(CC#N)C1 1046637059 JOKDQNLBQINIHL-FZMZJTMJSA-N 303.370 -0.270 30 20 DBED C#CCN1CCC(C(=O)N(C)[C@H]2CN(CC#CC)C[C@@H]2O)CC1 1047638343 NNULKKZQZRIFPT-IRXDYDNUSA-N 317.433 -0.142 30 20 DBED C=CCCN1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CC(=O)NC2=O)C1 1047650458 WNQNAAUFZKPYJD-WOPDTQHZSA-N 309.366 -0.881 30 20 DBED C=C(C)CCC(=O)N(C)[C@H]1CN(C(=O)c2cnn(C)n2)C[C@@H]1O 1048937485 NCHYSKJSZKXRAK-STQMWFEESA-N 321.381 -0.185 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCn2ccnc2)C1 1049126378 ZPHPLPDFAFVKTR-AVGNSLFASA-N 319.365 -0.537 30 20 DBED C=CC(C)(C)C(=O)N(C)[C@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@@H]1O 1049175859 COEHZTILXJQNCK-QWRGUYRKSA-N 323.393 -0.506 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cccnn2)C1 1049302412 MLYLIVFFZNUPQU-KBPBESRZSA-N 316.361 -0.220 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)[C@H]1CCCCN(C)C1=O 1051208855 DEWNNGHPWUMURF-ZIAGYGMSSA-N 307.394 -0.305 30 20 DBED C=C(C)CN1CCOC[C@@H]1CNC(=O)[C@@H]1CCCN1C(N)=O 1051269372 UDAKVSKCENHZQF-STQMWFEESA-N 310.398 -0.077 30 20 DBED C=CCOCC(=O)N1C[C@H](CNC(=O)c2cnnn2C)[C@@H](C)C1 1052220487 JZJMVXYXYBAMKG-RYUDHWBXSA-N 321.381 -0.158 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)CCN1CCOCC1)CCO2 1053473172 XEYBNIJINKQQQB-UHFFFAOYSA-N 321.421 -0.355 30 20 DBED C[C@@H](C(=O)N1CCOC2(CN(CC#N)C2)C1)N1CCOCC1 1053553787 SMZLLUAYGIEKLI-ZDUSSCGKSA-N 308.382 -0.856 30 20 DBED C[C@@H](CC(=O)N1C[C@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2C1)NC(N)=O 1055341328 XUVWYSOIKIGTFA-KXNHARMFSA-N 321.381 -0.490 30 20 DBED C=CCCC(=O)N[C@]1(CO)CCCN(C(=O)Cn2cnnn2)C1 1055821040 AIWOVDDICBLGTB-CQSZACIVSA-N 322.369 -0.891 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@](CO)(NC(=O)CC2(O)CCC2)C1 1055934998 LFFNOPSVMOLPOJ-WFASDCNBSA-N 323.393 -0.079 30 20 DBED Cn1cnc(C(=O)NC2[C@H]3CN(c4ccc(C#N)nn4)C[C@H]23)n1 1056204141 XBNSHDFDDAXLES-UWVGGRQHSA-N 310.321 -0.659 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]2[C@H]1CCCN2C(=O)CNC(N)=O 1056221031 PCTIBLSRGQXMBW-MXWKQRLJSA-N 307.354 -0.594 30 20 DBED C=CCCOCC(=O)N1CCC[C@H]2[C@H]1CCN2C(=O)C(N)=O 1056453512 WHHOTZSSNWVDSY-NWDGAFQWSA-N 309.366 -0.344 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)CN(C)C(C)=O 1057030900 HHDABVJTOUGQBE-UHFFFAOYSA-N 311.382 -0.795 30 20 DBED C=C[C@@H](C)[C@H](C)C(=O)NCCN(CCO)C(=O)Cn1ncnn1 1057675525 XKYJDUYOPHLYBM-NEPJUHHUSA-N 324.385 -0.932 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)C1CCN(C)CC1 1058656934 NBYANPJXUCKRSA-GFCCVEGCSA-N 310.398 -0.575 30 20 DBED N#Cc1cnc(N[C@H]2CCN(C(=O)[C@H]3CCCNC3=O)C2)cn1 1058985842 UXNUVQRRXPITAJ-JQWIXIFHSA-N 314.349 -0.113 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1C[C@H](NC(=O)[C@@H]2CCCNC2=O)C1 1059325636 RQRGEKYOCWVMBM-JHJVBQTASA-N 313.361 -0.040 30 20 DBED Cn1cnc(C(=O)NC[C@@H]2CCN(c3cnc(C#N)cn3)C2)n1 1061582806 JVHJPZUBLGNPEL-JTQLQIEISA-N 312.337 -0.267 30 20 DBED N#Cc1nccnc1N1CC[C@H](CNC(=O)[C@@H]2CCNC2=O)C1 1061695639 UIIWJQDNSKHPBN-GHMZBOCLSA-N 314.349 -0.573 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H]1CCCCN1C(=O)[C@H](C)OC 1062040483 NGTKFPSKYRSNGB-QWHCGFSZSA-N 323.393 -0.342 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)[C@@H]2CC(=O)N(C)C2)CCC1 1063327749 OOYFMTUCCPAYFJ-WDEREUQCSA-N 306.366 -0.221 30 20 DBED N#Cc1cncc(N2CCO[C@@H](CNC(=O)c3cnon3)C2)n1 1063639024 KFZYRMHZHKVHGF-JTQLQIEISA-N 315.293 -0.634 30 20 DBED C#CCCCC(=O)NC1(CNC(=O)c2nnn(C)n2)CCC1 1064048015 ZHBWGVMQBWWPOJ-UHFFFAOYSA-N 304.354 -0.218 30 20 DBED Cn1nncc1C(=O)N[C@H]1[C@H]2C[C@H]1N(c1cncc(C#N)n1)C2 1064250991 OMZRQLCRLQNJJV-PLMOITTCSA-N 310.321 -0.516 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)[C@H]2CCCC(=O)N2)CCC1 1064305412 STJQHJKULSBLHL-WDEREUQCSA-N 306.366 -0.030 30 20 DBED C=CCCC(=O)N1CCO[C@H](CNC(=O)C2(NC(N)=O)CC2)C1 1064956025 POQBKNXRZBABCV-LLVKDONJSA-N 324.381 -0.503 30 20 DBED C=CCCC(=O)N1CCO[C@@H](CNC(=O)[C@@]2(C)CNC(=O)C2)C1 1064961846 SLRDBWAPOGEINJ-BLLLJJGKSA-N 323.393 -0.178 30 20 DBED C=CCCCC(=O)N1CCO[C@H](CNC(=O)[C@H]2CCNC2=O)C1 1065545172 JBWWHQSZMWCBOU-OLZOCXBDSA-N 323.393 -0.178 30 20 DBED C=CCOCC(=O)N1CCC[C@H](NC(=O)[C@@H]2CCNC2=O)CC1 1066369265 NSCKYUIMFITSBJ-QWHCGFSZSA-N 323.393 -0.178 30 20 DBED C=CCOCC(=O)N(C)CCCN(C)C(=O)[C@@H]1CCNC1=O 1067000770 YFVZLTNWDPCMGV-GFCCVEGCSA-N 311.382 -0.368 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCCN(C)C(=O)CN1CCOCC1=O 1067671883 FXDDKCQIGQRGKL-LBPRGKRZSA-N 324.381 -0.688 30 20 DBED C=CCCC(=O)N[C@H]1COC2(C1)CN(C(=O)[C@@H]1COCCO1)C2 1068746645 BFXTWPQLIRFCMG-OLZOCXBDSA-N 324.377 -0.146 30 20 DBED C=CCCOCC(=O)N1CCC[C@]2(CCN(C(=O)C(N)=O)C2)C1 1069760332 SGWUGYYBIDMWRG-INIZCTEOSA-N 323.393 -0.095 30 20 DBED CC#CCCCC(=O)NCC1(NC(=O)CC(N)=O)CCOCC1 1070048685 COOXMMCKAFEXDO-UHFFFAOYSA-N 323.393 -0.163 30 20 DBED C#CCN[C@@H]1CN(C(=O)C2CCOCC2)C[C@@H]1n1ccnn1 1070119266 POZAKKNLBGRVLZ-KGLIPLIRSA-N 303.366 -0.321 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2cc(C)n(C)n2)C[C@@H]1n1ccnn1 1070151735 HTPSFYYREQVBPW-KGLIPLIRSA-N 313.365 -0.391 30 20 DBED CC1(C(=O)N2C[C@H](n3ccnn3)[C@H](NCC#N)C2)CCOCC1 1070296594 VCMKEGKSYIAXDZ-OLZOCXBDSA-N 318.381 -0.040 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1c1cncn1C 1070690896 SSPNFTYQWLDCOS-YVECIDJPSA-N 315.377 -0.941 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[C@@H]3CN(CCO)C[C@]2(C1)O3 1070860762 PSGCZNFHYGHQNG-SOXILONMSA-N 322.405 -0.129 30 20 DBED C#CCN1C[C@H](NC(=O)c2nccnc2C(N)=O)CC[C@H]1C 1072058007 FIYLJXCTYGZCTE-GHMZBOCLSA-N 301.350 -0.209 30 20 DBED C[C@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1NC(=O)C#CC1CC1 1072390870 VTCLENCWEAYDQK-GXFFZTMASA-N 301.350 -0.195 30 20 DBED C=CCN1CCC2(C1)CN(C(=O)[C@H]1CCN(C)S1(=O)=O)C2 1073053213 AJKFYRHMYPBKFU-GFCCVEGCSA-N 313.423 -0.259 30 20 DBED CC#CCN1CCO[C@@H]2CCN(C(=O)Cn3nccn3)C[C@H]21 1074255238 BAYSISYCESLSTG-ZIAGYGMSSA-N 303.366 -0.397 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)c3cc(=O)n(C)cn3)C[C@@H]21 1074269362 VGEQBDGOEQINCF-KBPBESRZSA-N 316.361 -0.671 30 20 DBED CC#CCN1CCO[C@@H]2CCN(C(=O)c3cnn(C)n3)C[C@H]21 1074360184 MAZHNCKKDVUMCO-ZIAGYGMSSA-N 303.366 -0.246 30 20 DBED C=CCN1CC[C@H](NC[C@]2(C)CN(C(=O)C(N)=O)C[C@H]2C)C1=O 1075170474 VVOCQHAYDCYYLL-BFQNTYOBSA-N 322.409 -0.667 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2nc[nH]c2C(F)(F)F)C1 1077137282 NEWHTUBNIJACHJ-HTQZYQBOSA-N 302.256 -0.163 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)CC2CS(=O)(=O)C2)C1 1077263429 YXQQPSOPVNEROY-VXGBXAGGSA-N 302.396 -0.842 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CN(C(C)C)CCO2)C1 1077566684 KOVPTCUGWKNEFJ-RBSFLKMASA-N 309.410 -0.720 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1NC(=O)Cn1nc2ccccn2c1=O 1080231765 TXQLQWIUHAZREW-VXGBXAGGSA-N 314.349 -0.544 30 20 DBED C[C@@H](C#N)C(=O)NC1(CO)CCN(C(=O)C(C)(C)C(N)=O)CC1 1080981999 QJVBQAYVZBIYKR-JTQLQIEISA-N 324.381 -0.873 30 20 DBED C=CCn1cc(C(=O)N2C[C@@H](O)[C@H](CNC(=O)CCC)C2)nn1 1081199690 MJKDLBARTBNYCR-DGCLKSJQSA-N 321.381 -0.187 30 20 DBED CCNC(=O)CC(=O)NC[C@@H]1CN(C(=O)C#CC(C)C)C[C@@H]1O 1081425710 VSRZANJIWXKWEC-OLZOCXBDSA-N 323.393 -0.893 30 20 DBED C#CCCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2ccncn2)C1 1081679078 FVNWCZKLXSUVRQ-TZMCWYRMSA-N 316.361 -0.171 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cn(C)c(O)n2)C1 1081732640 JLVFXJYODBVMRW-CMPLNLGQSA-N 322.365 -0.359 30 20 DBED CCOc1cnc(C(=O)N[C@@H]2CN(CC#N)C[C@H]2OC)cn1 1082398457 BRLJAFNUXWYZHI-VXGBXAGGSA-N 305.338 -0.172 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](NC(=O)Cc2cn(CC)nn2)C1 1083659307 SZOXILRFLHZJSN-KGLIPLIRSA-N 307.398 -0.032 30 20 DBED COCCn1nc(C(=O)N(C)C[C@@H]2CCN2CC#N)ccc1=O 1085710034 WXRZCHYDKLZSBF-LBPRGKRZSA-N 319.365 -0.440 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@@H](NCc2nnnn2C)C1 1086201489 CYWYTUWWLHRFCB-XQHKEYJVSA-N 320.397 -0.214 30 20 DBED C#CCCN1CC[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)[C@H]1CC 1087744504 UINQSZRYHXHAND-SDDRHHMPSA-N 306.366 -0.423 30 20 DBED C=C(Cl)CN1CC[C@H](NC(=O)CN2CCOCC2)[C@H](O)C1 1090203494 HIOUNCOPKPSAOJ-QWHCGFSZSA-N 317.817 -0.378 30 20 DBED COc1cnc(C(=O)N[C@H]2CCN(CC#N)C[C@@H]2O)c(F)c1 1090312763 LHZOUXHRDBDKBI-RYUDHWBXSA-N 308.313 -0.082 30 20 DBED C=CCCn1cc(C(=O)N[C@@H]2CCN(CCO)C[C@H]2O)nn1 1090637920 MTFOYUXRMCWJDH-DGCLKSJQSA-N 309.370 -0.989 30 20 DBED Cn1cc(C(C)(C)C(=O)N[C@H]2CCN(CC#N)C[C@@H]2O)cn1 1090684879 COPKMESYNKKGOS-STQMWFEESA-N 305.382 -0.227 30 20 DBED C#CCOc1ncccc1C(=O)N[C@@H]1CCN(CC#C)C[C@@H]1O 1090736229 HDCGDFLGWHXSTO-CABCVRRESA-N 313.357 -0.108 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2cccnc2C(N)=O)[C@@H](O)C1 1090824548 NYZQZBPOTXJRFH-OLZOCXBDSA-N 316.361 -0.631 30 20 DBED CCO[C@@H](C)C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@@H]1O 1091067204 TYDPXIUFKIVQCS-WCQGTBRESA-N 305.338 -0.561 30 20 DBED C=CCCCC(=O)N[C@@H]1CN(c2ccc3nnnn3n2)C[C@@H]1O 1091181195 WPQRBVJHEKBIQL-MNOVXSKESA-N 317.353 -0.459 30 20 DBED COCC(=O)N[C@H]1CCN(c2nc(C)ccc2C#N)C[C@H]1O 1092127442 YQVJQDRJWBAENM-QWHCGFSZSA-N 304.350 -0.036 30 20 DBED N#Cc1cncc(NCCNC(=O)c2ccc(C(N)=O)o2)n1 1094258955 BFTITONGOITJQY-UHFFFAOYSA-N 300.278 -0.118 30 20 DBED C[C@@H]1OCC[C@@H]1C(=O)NCc1cn(C2CN(CC#N)C2)nn1 1094330418 IOYDNJIPBBBOEU-GWCFXTLKSA-N 304.354 -0.300 30 20 DBED C#CCN1CC(n2cc(CNC(=O)[C@@H]3C[C@@]34CCOC4)nn2)C1 1094333375 DYZXUYDNTPPGGQ-GOEBONIOSA-N 315.377 -0.189 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)c3cncnc3O)CC2=O)C1 1094751034 NTEFBMHGPDJTGK-JTQLQIEISA-N 317.349 -0.617 30 20 DBED CS(=O)(=O)CCC(=O)N1CC[C@H](Nc2ccc(C#N)nn2)C1 1096983089 YBEKQUQVJRBQPM-NSHDSACASA-N 323.378 -0.204 30 20 DBED C[C@@]1(C(=O)N2CCC(N(CC#N)CCO)CC2)CCC(=O)N1 1098472992 LRHFHBODWXNEQH-HNNXBMFYSA-N 308.382 -0.536 30 20 DBED N#CCN[C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1C(F)(F)F 1099340256 QCIQXGFGVFXCOF-RKDXNWHRSA-N 302.260 -0.219 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)Cc2nnc(C)o2)[C@@H](O)C1 1099801707 JNIBWKJYJFVLFT-STQMWFEESA-N 324.381 -0.325 30 20 DBED CC(C)CS(=O)(=O)CC(=O)N[C@H]1CCN(CC#N)C[C@H]1O 1099894817 QNNRCSNLYYDPRN-NWDGAFQWSA-N 317.411 -0.868 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)c2cnco2)[C@@H](O)C1 1099936635 BKIKZFPODIFSLG-MNOVXSKESA-N 308.338 -0.858 30 20 DBED C=CCCOCC(=O)N[C@@H]1CCN(CC#CCOC)C[C@H]1O 1100138467 IZRUOHQRQYRAIX-HUUCEWRRSA-N 310.394 -0.220 30 20 DBED N#CCNC(=O)CNC1CC(CNC(=O)C2=COCCC2)C1 1100169528 VFXZHPAOUBZEHR-UHFFFAOYSA-N 306.366 -0.195 30 20 DBED CN(CCNC(=O)C[C@@H]1CCCC(=O)N1)c1ccc(C#N)nn1 1100412266 SAYVXEYIFUCOIO-NSHDSACASA-N 316.365 -0.041 30 20 DBED C#CCCN1C[C@@H](C)[C@H](CNC(=O)CN2CCN(C)C(=O)C2)C1 1102106456 OMRVABCTRKHLNL-HUUCEWRRSA-N 320.437 -0.532 30 20 DBED C#CCNC(=O)CC(=O)N(C)[C@H]1CCN(c2nccnc2F)C1 1102694115 VWBWMQKMAUEESZ-NSHDSACASA-N 319.340 -0.208 30 20 DBED C#CCN1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 1103476954 FAFOPUASMBEROS-UTUOFQBUSA-N 306.366 -0.708 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H](C)CNc1nccn2nnnc12 1104089478 JLYZVVCMMAMYHZ-WDEREUQCSA-N 317.353 -0.278 30 20 DBED C=CCNC(=O)CNCc1cn(C2CN(C(=O)C3CC3)C2)nn1 1105129748 ZXUXYAKGOUNMQR-UHFFFAOYSA-N 318.381 -0.537 30 20 DBED COCCOCC(=O)NC[C@@H](N=c1cc[nH]c(C#N)n1)C(C)C 1105140189 WPPRTRIDDABJQR-GFCCVEGCSA-N 321.381 -0.014 30 20 DBED C=CCCC(=O)N1CC(n2cc(CN[C@H](C)C(N)=O)nn2)C1 1105185906 WVIRDTCJYOLDHO-SNVBAGLBSA-N 306.370 -0.409 30 20 DBED CN(CCN(C)c1cncc(C#N)n1)C(=O)c1c[nH]c(=O)cn1 1105532359 WVKHTPRHTCVBCC-UHFFFAOYSA-N 313.321 -0.360 30 20 DBED N#Cc1nccnc1NC[C@H](O)CNC(=O)Cn1cccn1 1105721806 FUVXIDUETKAHDP-SNVBAGLBSA-N 301.310 -0.866 30 20 DBED CNC(=O)CCCC(=O)NC[C@@H](O)CNc1ncccc1C#N 1105794517 GVVCYGLIQUVCBR-GFCCVEGCSA-N 319.365 -0.241 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@H](O)CNc1nccc(OC)n1 1105805626 FJEABPZLEHROLL-QMTHXVAHSA-N 310.354 -0.299 30 20 DBED Cc1nc(NC[C@@H](O)CNC(=O)C#CC2CC2)nc(N(C)C)n1 1105826119 YSAUXCZBVQUELO-LBPRGKRZSA-N 318.381 -0.452 30 20 DBED C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1CNCc1nnn(C)n1 1105849523 YPAZUSXHMJZHDB-GHMZBOCLSA-N 323.426 -0.349 30 20 DBED Cc1nc(O)[nH]c1C(=O)NC[C@H](O)CNc1ccc(C#N)cn1 1106000942 NSEPAIPRVRYVKA-SNVBAGLBSA-N 316.321 -0.107 30 20 DBED CN1C(=O)CC[C@H]1C(=O)NC[C@@H](O)CNc1ncccc1C#N 1106055615 QSFHHOFREGVMJZ-RYUDHWBXSA-N 317.349 -0.537 30 20 DBED CCN(CCNc1cnc(C#N)cn1)C(=O)Cn1cnnn1 1106679185 DMVYBVHTSAWBJX-UHFFFAOYSA-N 301.314 -0.705 30 20 DBED N#Cc1nc(=NC/C=C\CNC(=O)C[C@@H]2CCNC2=O)cc[nH]1 1107375031 MNVWRZHKBOPKFA-BVBSBALXSA-N 314.349 -0.619 30 20 DBED N#Cc1nccnc1NC/C=C\CNC(=O)[C@@H]1CCC(=O)NC1 1107593323 VLVOXVBWGSSFHZ-RFMOXSJOSA-N 314.349 -0.041 30 20 DBED C#CCNC(=O)CN1CCO[C@@](C)(CNC(=O)/C(C)=C/C)C1 1107852853 KOUSEKMLHVKFFF-XNWJVHIKSA-N 307.394 -0.091 30 20 DBED C[C@]1(CNC(=O)c2cccn3nnnc23)CN(CC#N)CCO1 1107968242 BTJXUSNTSXDPAP-AWEZNQCLSA-N 315.337 -0.531 30 20 DBED C[C@]1(C(=O)NC[C@]2(C)CN(CC#N)CCO2)CCNC(=O)C1 1108025328 ZKSCHIMBODBMIZ-LSDHHAIUSA-N 308.382 -0.367 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CNc1nc(C)cc(C#N)n1 1108321036 JGYRZMDSICZOOK-NSHDSACASA-N 314.349 -0.287 30 20 DBED C#CCCN1CC(N2C[C@H](NC(=O)CCN(C)CC)CC2=O)C1 1108584834 MMIMRYHQTJLRQM-CQSZACIVSA-N 320.437 -0.247 30 20 DBED C[C@H](NC(N)=O)C(=O)N[C@H](C)CN(C)c1ncccc1C#N 1108914936 ADNUJYJNDYKETD-ZJUUUORDSA-N 304.354 -0.049 30 20 DBED C[C@@H](CN(C)c1nccnc1C#N)NC(=O)Cn1nccn1 1109103757 MVGQBJMPNWOFSE-JTQLQIEISA-N 300.326 -0.419 30 20 DBED C[C@@]1(C(=O)NCC2(N=c3cc[nH]cc3C#N)CC2)CCNC1=O 1110344672 RFJZWRGMKAGKCC-OAHLLOKOSA-N 313.361 -0.038 30 20 DBED Cc1cc(=NC[C@@H]2CCCN2C(=O)CNC(N)=O)c(C#N)c[nH]1 1110530319 XNZZRYVBFWGBGB-LBPRGKRZSA-N 316.365 -0.245 30 20 DBED C[C@@H](C#N)C(=O)N[C@@]1(CO)CCCN(c2cnc(C#N)cn2)C1 1111342906 IHGKFDCMIATTIB-NHYWBVRUSA-N 314.349 -0.045 30 20 DBED C=CCCC(=O)N(CCO)CCNc1ccc2nnnn2n1 1111428128 NYGKXAVLPFPLDW-UHFFFAOYSA-N 305.342 -0.282 30 20 DBED C=CCNC[C@]12CCC[C@H]1CN(C(=O)Cn1ncn(C)c1=O)C2 1112439767 HGNQVVXOLFQVSR-BBRMVZONSA-N 319.409 -0.014 30 20 DBED CC(=O)NCC(=O)NC[C@H]1CN(c2ccncc2C#N)C[C@@H]1O 1112694724 JSMLLQCNCBYBRX-JSGCOSHPSA-N 317.349 -0.997 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(c2nccc(C)n2)C[C@@H]1O 1112702467 RRDDGLXZKAWTFN-OLZOCXBDSA-N 306.366 -0.099 30 20 DBED CCn1cc(C(=O)N2CCN(CC(=O)NCC#N)CC2)cn1 1112721802 QCPVZAABWRKNDF-UHFFFAOYSA-N 304.354 -0.699 30 20 DBED C#CCNC(=O)CC(=O)N1CCN(CC(=O)NCCCC)CC1 1112773912 AULHHMLDAVPHCU-UHFFFAOYSA-N 322.409 -0.814 30 20 DBED CNC(=O)CC(=O)NC1CC(CNc2nccnc2C#N)C1 1112830564 WETVDSZEULTYGK-UHFFFAOYSA-N 302.338 -0.209 30 20 DBED COCC#CCN1CCN(C(=O)c2ccc(C(N)=O)[nH]2)CC1 1113349013 KQAGJMUKKZTYPN-UHFFFAOYSA-N 304.350 -0.479 30 20 DBED CC#CCN1CCN(C(=O)CNC(=O)c2ccccn2)CC1 1113670286 BAFCEKSGKHSODR-UHFFFAOYSA-N 300.362 -0.021 30 20 DBED C[C@@H]1C[C@H](CNc2cncc(C#N)n2)CN1C(=O)CNC(N)=O 1114662764 BHMNKEPHNREAOZ-NXEZZACHSA-N 317.353 -0.335 30 20 DBED CC(=O)NCC(=O)N[C@H]1C[C@H](CNc2cnc(C#N)cn2)C1 1114733427 DQISMOYMJBFPLX-XYPYZODXSA-N 302.338 -0.209 30 20 DBED C=CCCOCC(=O)NC1[C@H]2CN(Cc3cnnn3C)C[C@H]12 1115324304 NZAJHJFVTGVJMJ-STQMWFEESA-N 305.382 -0.046 30 20 DBED C[C@@H](Cn1cccn1)NC(=O)C(=O)NC1CCN(CC#N)CC1 1116951180 YSKDXSJUAQVOHP-LBPRGKRZSA-N 318.381 -0.508 30 20 DBED C#CCO[C@@H](C)C(=O)NC1CC2(C1)CC(N[C@H](C)C(N)=O)C2 1121096933 HFUHQDYPQCBXGI-BHXCXCHGSA-N 307.394 -0.085 30 20 DBED CCn1nncc1C(=O)NC[C@@H](CO)Nc1ccc(C#N)cn1 1121471673 GIBDGXQSTBYYKI-NSHDSACASA-N 315.337 -0.233 30 20 DBED C#CCN1CCN(c2nnc([C@@H]3CNC(=O)C3)n2CC)CC1 1121827808 ABPGAARCYJTBMQ-LBPRGKRZSA-N 302.382 -0.343 30 20 DBED CCc1nc(C#N)cc(N[C@@H](CO)CNC(=O)c2nc[nH]n2)n1 1121894117 YBCIBAIDMGACMY-SECBINFHSA-N 316.325 -0.768 30 20 DBED CCN(C)CCC(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1 1122028872 PASWRRYHIVDYGB-NSHDSACASA-N 306.370 -0.999 30 20 DBED Cc1ncn(C)c1C(=O)NC[C@H](CO)Nc1cnc(C#N)cn1 1122148813 ZKPTYALYNFAZPR-LLVKDONJSA-N 315.337 -0.407 30 20 DBED CN(CC(=O)NC[C@@H](CO)Nc1cncc(C#N)n1)C1CCC1 1122741537 ZAQDCOTUHZHDEQ-LBPRGKRZSA-N 318.381 -0.278 30 20 DBED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 1123642893 XJIDGHPRQMKHKP-GFCCVEGCSA-N 306.366 -0.172 30 20 DBED CC(=O)N(C)CC(=O)N(C)C[C@@H](O)CN=c1cc[nH]cc1C#N 1124111836 MNGZHJVMROBBOO-ZDUSSCGKSA-N 319.365 -0.915 30 20 DBED C=CCOCC(=O)NCCNCC(=O)NC(=O)NCCCC 1124772943 MGLDYRVPTJBWHU-UHFFFAOYSA-N 314.386 -0.479 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C[C@@H](O)CN(C)c1nccnc1F 1125162052 OVZRIPYCSGEFAV-NEPJUHHUSA-N 324.356 -0.091 30 20 DBED C=CCOCCCC(=O)NCCNC[C@@H](O)Cn1cccn1 1125259792 DLFQTERTVSOLJA-CQSZACIVSA-N 310.398 -0.067 30 20 DBED CCNC(=O)CC(=O)N(C)C1CC(N=c2cc[nH]c(C#N)n2)C1 1126931073 NOOPKOYWEQSIML-UHFFFAOYSA-N 316.365 -0.302 30 20 DBED C#CCCN[C@@H]1CN(C(=O)c2csnn2)C[C@@H]1n1ccnn1 1129948839 BNKNFHOHRAGKMU-PWSUYJOCSA-N 317.378 -0.192 30 20 DBED C#CCOCCC(=O)NCc1nc([C@H]2COCCN2CC)n[nH]1 1130845639 LNHWVJNOPUENMQ-GFCCVEGCSA-N 321.381 -0.146 30 20 DBED C=CCN[C@@H]1CCO[C@H]1C1CCN(C(=O)CNC(N)=O)CC1 1131421795 WDACDMSTRNPBMB-OCCSQVGLSA-N 310.398 -0.174 30 20 DBED C[C@@H]1CC[C@H](NC(=O)c2cnon2)CN1CC(=O)NCC#N 1132369521 YGKDXTQPIGJMRH-ZJUUUORDSA-N 306.326 -0.708 30 20 DBED C=CCOCC(=O)N1CC[C@H](C)[C@@H](CNCc2nnn(C)n2)C1 1132705364 LGBAXFOXCQUZDB-STQMWFEESA-N 322.413 -0.013 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)c1cnn(C)c1 1133672070 ULGPZDCZRUYCCY-RYUDHWBXSA-N 305.382 -0.344 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1Cc2ccncc2C1 1133881041 YQBHEBMNIXQVKN-OCCSQVGLSA-N 314.389 -0.360 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)C[C@H](C)NCC(=O)N(C)C 1134130424 HMDSRQKUPLXAKB-RYUDHWBXSA-N 310.398 -0.913 30 20 DBED C#CCCCCC(=O)N1CC2(CCN(CC(=O)NC(N)=O)C2)C1 1147374494 OZIFGMYAEKBHFO-UHFFFAOYSA-N 320.393 -0.091 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC2(CCN([C@@H](CC)C(N)=O)C2)C1 1147541865 ZSMGGGFGLVJLBR-STQMWFEESA-N 307.394 -0.177 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@H](c1cccnc1)N(C)C 1152604159 WHMVZDDUOWDXPP-HNNXBMFYSA-N 319.409 -0.308 30 20 DBED C=CCO[C@@H](C)C(=O)NCCNC[C@@H](O)COCCOC 1153149308 VGPIGUSGEHNELY-QWHCGFSZSA-N 304.387 -0.693 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)[C@@H]1CN(C)CCO1 1156125091 HKHQBNPUYFOBLA-OLZOCXBDSA-N 312.414 -0.896 30 20 DBED CCN(CC#N)[C@H](C)CNC(=O)CCNC(=O)c1cnccn1 1156979796 FPWCVDILNOSZRI-GFCCVEGCSA-N 318.381 -0.053 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1cncc2nc[nH]c12 1158478862 BOODNEMMXZHBHG-UHFFFAOYSA-N 314.349 -0.583 30 20 DBED COc1cc(O)ncc1C(=O)NCCCNCC(=O)NCC#N 1166924721 SXLYGCSFLREVPO-UHFFFAOYSA-N 321.337 -0.855 30 20 DBED N#CCNC(=O)CNCCCNC(=O)c1cc(C2CC2)no1 1167462161 DRTRMYSDVQYIMQ-UHFFFAOYSA-N 305.338 -0.099 30 20 DBED C#CCNCCCC[C@@H](C)NC(=O)CNS(=O)(=O)CC 1171069846 WIWBTMXFPAZFGD-GFCCVEGCSA-N 303.428 -0.177 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)[C@@H]2CCN(C)C2)C1=O 1176057059 MLZDNGBJGBTTPI-ZIAGYGMSSA-N 308.426 -0.179 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@]1(C)CN(C(=O)CC(N)=O)C[C@H]1C 1180961110 ZRYDGJJAEGIPSI-XHBSWPGZSA-N 322.409 -0.926 30 20 DBED C=CCN1CC[C@@H](N[C@@H]2CCN(C(=O)CC(=O)NCC)C2)C1=O 1182145398 OHSKHAHPFOZFJX-CHWSQXEVSA-N 322.409 -0.510 30 20 DBED CC#CCN[C@@H]1CCN(C(=O)[C@@H](NS(C)(=O)=O)C(C)C)C1 1186177705 RJRVEAJOBNCTAP-OLZOCXBDSA-N 315.439 -0.226 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)CCN2CCOCC2)C1 1186356133 SLFRHYUBYCESPW-OAHLLOKOSA-N 309.410 -0.451 30 20 DBED C=C(C)CN(CC)C(=O)[C@H](C)N(C)[C@H]1CCN(C(=O)C(N)=O)C1 1192094331 RQRILFGEIXSXKY-STQMWFEESA-N 324.425 -0.183 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2nc(C)no2)C[C@H]1O 1192844458 UQNLOCACDYQRGL-MVWJERBFSA-N 308.338 -0.922 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)CS(=O)(=O)C2CCCC2)C1 1194191199 HRAMTDHBSFUVER-CHWSQXEVSA-N 314.407 -0.862 30 20 DBED CN(CCC(=O)N[C@@H]1CN(CC#N)C[C@H]1O)c1ccncc1 1194289687 LRUOMYCEBVUAOY-ZIAGYGMSSA-N 303.366 -0.407 30 20 DBED CC(C)C#CC(=O)N1CCCN(Cc2nc(=O)n(C)[nH]2)CC1 1195775322 VUVYTBXBGIGEEI-UHFFFAOYSA-N 305.382 -0.198 30 20 DBED C=CCNC(=O)CNC[C@@H]1CN(C(=O)[C@@H](C)OC)CCCO1 1199977930 VCRCTKMOHKGAPV-CHWSQXEVSA-N 313.398 -0.469 30 20 DBED COCC#CCNC1CCN(C(=O)Cc2n[nH]c(C)n2)CC1 1200434332 KHWAWWBUYZPRPN-UHFFFAOYSA-N 305.382 -0.114 30 20 DBED C=CCNCC1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)CC1 1206932145 RLRIZWFSKSWMKH-GFCCVEGCSA-N 301.412 -0.308 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)Cc2ccn(C)n2)[C@H](C)C1 1206943839 HKQYLGNGJXKQIF-TZMCWYRMSA-N 319.409 -0.299 30 20 DBED C[C@@H]1CN(CC(=O)N2CCOCC2)C[C@H]1NC(=O)C#CC1CC1 1206948327 FKYMQGVEHQKKSD-UKRRQHHQSA-N 319.405 -0.305 30 20 DBED CNC(=O)NC(=O)CN1C[C@@H](NC(=O)C#CC(C)(C)C)[C@H](C)C1 1206950636 BQQWZGCOONTLCI-VXGBXAGGSA-N 322.409 -0.072 30 20 DBED COCC#CCN1C[C@@H](NC(=O)C(=O)NCC(F)F)[C@H](C)C1 1207801168 YWDVHKSSMSQUIU-GHMZBOCLSA-N 317.336 -0.546 30 20 DBED CC#CCN[C@H]1CCCN(C(=O)[C@@H](C)NS(C)(=O)=O)C1 1209828875 RVNNKVVJSOCILI-NEPJUHHUSA-N 301.412 -0.472 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2cc[nH]c2)[C@H](OC)C1 1212303496 GIOKSKZEXXKVJQ-CHWSQXEVSA-N 304.350 -0.807 30 20 DBED C#CCOCCC(=O)N1CCO[C@@H]2CN(CC#CCOC)C[C@@H]21 1217877083 VVGYIGCBGCSKDS-JKSUJKDBSA-N 320.389 -0.412 30 20 DBED C[C@@H](NC(=O)C1CCC1)C(=O)N1CCO[C@@H]2CN(CC#N)C[C@@H]21 1219075327 SNEHSPMITGPQBR-KWCYVHTRSA-N 320.393 -0.274 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(CC2CCOCC2)C[C@@H]1O 1219535807 GNNPIJDVMAJPDS-YCPHGPKFSA-N 312.410 -0.099 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN([C@@H](C)c2nncn2C)C[C@@H]1O 1219609192 GDHNYINYRSOWDP-XQQFMLRXSA-N 321.381 -0.923 30 20 DBED C=CCOCCN1CC[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)C[C@@H]21 1223378862 OEVYHUIRTHKPHX-RDBSUJKOSA-N 322.409 -0.207 30 20 DBED C=CCCN1CCC(CNC(=O)C[C@H](NC(C)=O)C(N)=O)CC1 1224753951 QLGNJAYBYMZJFP-AWEZNQCLSA-N 324.425 -0.229 30 20 DBED CN(C[C@H]1CCN1CC(=O)NCC#N)C(=O)c1cccnc1 1230583308 HVWLZACMGITVSF-CYBMUJFWSA-N 301.350 -0.132 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)[C@H]1CCCOC1 1231102988 MDABRWYXLZAVSZ-KBPBESRZSA-N 307.394 -0.305 30 20 DBED C=CCOCC(=O)N(C)C[C@H]1CCN1[C@@H](C)C(=O)NC(N)=O 1231246901 IVQZSTLZHODIPF-WDEREUQCSA-N 312.370 -0.695 30 20 DBED CN(C[C@@H]1CCN1CC(=O)NCC#N)C(=O)C[C@@](C)(O)C1CC1 1233794527 XQPSIZNDOADNOR-XJKSGUPXSA-N 322.409 -0.290 30 20 DBED Cc1ncc(CC(=O)N(C)C[C@@H]2CCN2CC(=O)NCC#N)o1 1235319236 JZEDPYDUFFNUQM-LBPRGKRZSA-N 319.365 -0.302 30 20 DBED CN1CCN(C)[C@H](CNC(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)C1 1261446531 BUHWJTRXKGAHAH-YNEHKIRRSA-N 307.398 -0.843 30 20 DBED CCn1nc(C)cc1C(=O)N1CC[C@H](NCC(=O)NCC#N)C1 1317305417 LRRXMNUKSDHPHN-LBPRGKRZSA-N 318.381 -0.345 30 20 DBED CCn1cc(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)ccc1=O 1318677698 JXIVJHHKFGQMAR-NSHDSACASA-N 304.306 -0.442 30 20 DBED CCC(=O)N1CC[C@H](NC(=O)C(=O)N2CC[C@](F)(C#N)C2)C1 1323278199 NEALZNUZKTXDPL-HZMBPMFUSA-N 310.329 -0.422 30 20 DBED CC(C)[C@@](C)(NC(=O)CCN/C(O)=C1\N=CC=CC1=O)C(N)=O 1324301392 ZUUKJGIYGSTGOP-RDRICISKSA-N 322.365 -0.081 30 20 DBED Cc1cnccc1CNC(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1326410385 REOCWDUTUJIWAV-HNNXBMFYSA-N 302.334 -0.117 30 20 DBED CC(C)(O)[C@@H]1CCCN1C(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1326534178 UIWOITMWAXBEKG-NHYWBVRUSA-N 309.366 -0.375 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)NC[C@@H](C)C1CC1 1327903606 OXWIKSRKHMHPSF-SNVBAGLBSA-N 302.396 -0.134 30 20 DBED C#CCCCS(=O)(=O)NCCN/C(O)=C1\N=CC=CC1=O 1344337008 JNGAGYXWSNDWHV-OUKQBFOZSA-N 311.363 -0.154 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCC[C@@H]1[C@H](C)O 1347604578 IHANOQVRRAKYDV-WDEREUQCSA-N 318.395 -0.925 30 20 DBED COC(=O)[C@H](NC(=O)CCn1cc(C#N)c(O)nc1=O)C(C)C 1361769382 XPKYMMZIUDCYIB-LLVKDONJSA-N 322.321 -0.476 30 20 DBED COC[C@@H](NS(=O)(=O)c1c(C)cc(F)cc1C#N)C(N)=O 1363973164 JVAKQPSUOFFFAE-SNVBAGLBSA-N 315.326 -0.216 30 20 DBED CC(C)(CC#N)CS(=O)(=O)NC[C@H]1CC[C@@H](C(N)=O)O1 1364792138 BVSDMUBZJYJTAX-ZJUUUORDSA-N 303.384 -0.121 30 20 DBED N#Cc1cccc(CNC[C@@H](O)CNC(=O)[C@H]2CCC(=O)N2)c1 1379172873 WEAYQJXYZFTYRT-ZIAGYGMSSA-N 316.361 -0.596 30 20 DBED Cc1nnc2n1C[C@@H](C(=O)N1CC(NC(=O)[C@H](C)C#N)C1)CC2 1389399759 CZGMNXXISWBHOK-KOLCDFICSA-N 316.365 -0.364 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)c2cccc(C(N)=O)n2)CC1 1389866954 AVWXSNIFECIXEX-SECBINFHSA-N 315.333 -0.281 30 20 DBED CCN1CCOC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@H](C)C#N)C1 1396532426 PITYPPSUECKIJW-MQYQWHSLSA-N 322.409 -0.122 30 20 DBED C[C@H](CN(C)C(=O)CCCS(C)(=O)=O)NC(=O)[C@H](C)C#N 1405095805 JFIWYBHSTFAUFB-GHMZBOCLSA-N 317.411 -0.066 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1cc(C(F)F)[nH]n1 1410166297 NXDUUBOMEUGDFE-RNFRBKRXSA-N 315.280 -0.286 30 20 DBED CO[C@H]1CCC[C@H]1C(=O)NCCn1cc(C#N)c(O)nc1=O 1413311989 ZIGSYCIBZREHSU-MNOVXSKESA-N 306.322 -0.248 30 20 DBED C[C@@H](C#N)C(=O)N1CCCO[C@@H](CNC(=O)CCCC(N)=O)C1 1426311751 NHCNAQGLZOTNMK-RYUDHWBXSA-N 324.381 -0.465 30 20 DBED COCCN(CCNC(=O)c1n[nH]c(C)c1O)C(=O)[C@H](C)C#N 1428399675 DIKIRQVZFBMRSO-SECBINFHSA-N 323.353 -0.212 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)CCc2nccs2)C1 1428929948 WEMRQZSAFYKTSY-MXWKQRLJSA-N 322.390 -0.077 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H](O)CNC(=O)[C@H]2CCCO2)c1 1457899280 ASZTUZDYYAGPJO-CMPLNLGQSA-N 306.322 -0.728 30 20 DBED C=C(Br)CN1CCN(C(=O)Cn2ncnn2)CC1 1472958727 LILORXSFCKIVCL-UHFFFAOYSA-N 315.175 -0.274 30 20 DBED C[C@H](C#N)C(=O)N(C)CC(C)(C)CNC(=O)C1(NC(N)=O)CC1 1486774362 DXLIGCIWHRXJDP-SNVBAGLBSA-N 323.397 -0.052 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CCN(c2nccnc2-c2nn[nH]n2)C1 1573577880 UTNMXPSHKAPEIA-IUCAKERBSA-N 313.325 -0.489 30 20 DBED CN(CCC#N)S(=O)(=O)N[C@@H](C[C@H]1CCCO1)C(=O)O 1573869455 AKPYEBIGEYIHTF-ZJUUUORDSA-N 305.356 -0.311 30 20 DBED C[C@H](C#N)CNC(=O)N1CCN(C(=O)N2CCNCC2)CC1 1575051162 JBMRZERRYJPHIM-GFCCVEGCSA-N 308.386 -0.502 30 20 DBED CCOC(=O)N1C[C@H](CO)[C@H](NC(=O)C#CC2CCNCC2)C1 1577966973 CTELEUFIJPCIRZ-ZIAGYGMSSA-N 323.393 -0.445 30 20 DBED CCOC(=O)[C@H]1CCN(c2cnc(C#N)c(-c3nn[nH]n3)n2)C1 1578243997 HVCAVOIQCXSTEZ-QMMMGPOBSA-N 314.309 -0.082 30 20 DBED CO[C@@H]1COCC[C@H]1N(C)c1cnc(-c2nn[nH]n2)c(C#N)n1 1579618407 JXLQKEVUEYTRIK-NXEZZACHSA-N 316.325 -0.232 30 20 DBED C#CC[C@@H](COC)NS(=O)(=O)c1n[nH]c(C)c1C(=O)O 1588394944 OLDYDYVXRFOUEQ-QMMMGPOBSA-N 301.324 -0.267 30 20 DBED C=CC[C@H](C(=O)O)N1CCN(C(=O)CN2CCOCC2)CC1 1588730712 VQXKPRPRUHHBCZ-CYBMUJFWSA-N 311.382 -0.508 30 20 DBED C=CC[C@@H](C(=O)O)N1CCS(=O)(=O)C[C@H]1CC(=O)OC 1588732206 WGAJXSGNFDLTOQ-ZJUUUORDSA-N 305.352 -0.322 30 20 DBED CC(C)[C@](C)(C#N)NC(=O)CN1CCNC(=O)[C@@H]1CC(=O)O 1590961714 WYAKWBYIXBQHAS-HZMBPMFUSA-N 310.354 -0.684 30 20 DBED N#CCNC[C@H]1CCCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 1592678843 TWSPSFKYLRDQAZ-SNVBAGLBSA-N 300.326 -0.087 30 20 DBED N#Cc1ccc(NC(=O)C(=O)N2C[C@@H](O)C[C@H](C(=O)O)C2)cc1 1601106871 IAQLLQWPXBSZFI-JQWIXIFHSA-N 317.301 -0.209 30 20 DBED C#CCN(CC1CC1)C(=O)C(=O)Nc1c(C(=O)O)cnn1C 1602719380 HATHJDDUPUHBTQ-UHFFFAOYSA-N 304.306 -0.071 30 20 DBED C#C[C@H](NC(=O)N1CCN(C)C[C@H](C(=O)O)C1)[C@H]1CCCO1 1609054272 DSHVKLSZYZQZNW-RWMBFGLXSA-N 309.366 -0.175 30 20 DBED N#CCC1(O)CN(C(=O)c2ccc(-c3nn[nH]n3)c(O)c2)C1 1609494689 KUUGDUMEZQRPLD-UHFFFAOYSA-N 300.278 -0.327 30 20 DBED C[C@H](NC(=O)N1CC[C@@](O)(CC#N)C1)[C@H]1CN(C)CCN1C 1649312382 OWEOBVGUIPMGHH-GUTXKFCHSA-N 309.414 -0.319 30 20 DBED C[S@](=O)C1(CNC(=O)NCCn2cnc(C#N)n2)CCC1 1649800546 SMIGJDAUDAEOGI-NRFANRHFSA-N 310.383 -0.250 30 20 DBED CCc1nn(C)cc1C(=O)N(C)CCNCC(=O)NCC#N 1753200651 PJAXBNKZLJVCKC-UHFFFAOYSA-N 306.370 -0.716 30 20 DBED COCC#CCNCCN(C)C(=O)c1cnc2c(c1)nnn2C 1753212492 DRFFTSYVIQORRA-UHFFFAOYSA-N 316.365 -0.325 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1CN(CC(=O)Nc2ccon2)C1 1753401087 RXBZFVWLTGNXPS-OAHLLOKOSA-N 322.365 -0.012 30 20 DBED C[C@H](CNCCS(C)(=O)=O)N(C)C(=O)c1ccc(C#N)[nH]1 1753685421 LOWCKTVLTDFRBW-SNVBAGLBSA-N 312.395 -0.019 30 20 DBED C#CCNC(=O)[C@H](C)NC1(CNC(=O)[C@@H](C)OCC#C)CC1 1754515173 MNFYSBCZRFFFAG-QWHCGFSZSA-N 305.378 -0.599 30 20 DBED C[C@@H]1CCCN(C(=O)C(=O)NC[C@]2(O)CCN(CC#N)C2)C1 1754758296 CTVZMISRICEZLD-IUODEOHRSA-N 308.382 -0.679 30 20 DBED C[C@H]1CN(C(=O)c2cn(C)cn2)C[C@H]1CNCC(=O)NCC#N 1754812640 VQIDNAGZBKJZFB-NWDGAFQWSA-N 318.381 -0.642 30 20 DBED C[C@H]1CN(C(=O)CCNS(C)(=O)=O)C[C@H]1CNCC#N 1754817066 JPHVRTKOUZCQDC-WDEREUQCSA-N 302.400 -0.867 30 20 DBED C=CCCN1CC2(CC[C@@H](CNC(=O)Cn3cnnn3)O2)C1 1755053674 YTSZONHRVWHNIH-LBPRGKRZSA-N 306.370 -0.401 30 20 DBED C=CCCN1CC2(CC[C@H](CNC(=O)Cn3ncnn3)O2)C1 1755054231 KUMCAADVQXWHRI-GFCCVEGCSA-N 306.370 -0.401 30 20 DBED C#CCNCC1(O)CCN(C(=O)CCc2cn(C)nn2)CC1 1755155956 KAJCOEFAFIIEOD-UHFFFAOYSA-N 305.382 -0.676 30 20 DBED N#CCN1CCC(CO)(NC(=O)Cn2ccccc2=O)CC1 1755180874 IVVFLPOEQXXTOP-UHFFFAOYSA-N 304.350 -0.685 30 20 DBED C[C@@H](NC(=O)c1ncccc1F)C1CN(CC(=O)NCC#N)C1 1755388328 YVDCXLLLNJUZGP-SNVBAGLBSA-N 319.340 -0.089 30 20 DBED C[C@@H](NCC#N)[C@H]1CN(C(=O)COCc2nccn2C)CCO1 1755443850 HWLFVFXQVUZLRY-CHWSQXEVSA-N 321.381 -0.334 30 20 DBED C#CCNC(=O)CN[C@@H]1C[C@@H](C)N(C(=O)Cc2ccn(C)n2)C1 1755678902 PZDNFTJTWJSVGL-TZMCWYRMSA-N 317.393 -0.709 30 20 DBED C#CCNC(=O)CNC[C@@H]1CC[C@@H](NC(=O)c2n[nH]cc2F)C1 1755743955 PXLQEVQISRYIKV-GHMZBOCLSA-N 321.356 -0.214 30 20 DBED C=CCN(C)C[C@H](O)CN(C)C(=O)[C@@H]1CCc2nnn(C)c2C1 1755805577 XVGUYTOQGIRNEY-OLZOCXBDSA-N 321.425 -0.143 30 20 DBED CN(CC(C)(C)CNC(=O)C#CC1CC1)C(=O)[C@@H]1CNC(=O)N1 1755997340 FJOJNPZGPGEVGE-LBPRGKRZSA-N 320.393 -0.318 30 20 DBED C=CCn1cc(C(=O)NC[C@H](C)N(C)C(=O)c2cnon2)nn1 1756031239 WMNNPOLQSRREHP-VIFPVBQESA-N 319.325 -0.262 30 20 DBED C[C@H](CNC(=O)[C@@H]1CCNC1=O)N(C)C(=O)c1cc(C#N)c[nH]1 1756054942 YGGBXIHNFFQKNV-MWLCHTKSSA-N 317.349 -0.401 30 20 DBED C#CCCCCC(=O)N[C@H](CO)CNC(=O)[C@@H]1CCCN1C 1756516628 BNITZKSMZSLLSN-KBPBESRZSA-N 309.410 -0.133 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H](CO)NC(=O)Cc1cc(C)on1 1756521909 YXVKLKBQYTZBPJ-WCQYABFASA-N 323.349 -0.843 30 20 DBED C=CCC(C)(C)C(=O)NC[C@@H](CO)NC(=O)c1ccc(O)nn1 1756521955 ZULLIKUULMHLLK-JTQLQIEISA-N 322.365 -0.009 30 20 DBED C#CCOCCC(=O)NC[C@H](O)CN(C)C(=O)c1ccoc1 1756648864 APGPFDBSPYEVNR-ZDUSSCGKSA-N 308.334 -0.131 30 20 DBED CCN(C(=O)CS(C)(=O)=O)[C@H](C)CNC(=O)C#CC1CC1 1756852766 FXDQEQWOFVKTQI-LLVKDONJSA-N 314.407 -0.202 30 20 DBED C[C@@H](CNS(=O)(=O)CCOC1(C#N)CCOCC1)C(=O)O 1776429215 KOXRAYUEWZZWQA-JTQLQIEISA-N 320.367 -0.284 30 20 DBED C=CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=N)N)C[C@@H]21 1791274528 LVLABHRVVNVYJL-SRVKXCTJSA-N 323.397 -0.975 30 20 DBED N#Cc1ccc(OCCN2CCN(S(N)(=O)=O)CC2)cc1 42634120 CLVXROXBCDKRPM-UHFFFAOYSA-N 310.379 -0.242 30 20 DBED CCNC(=O)CN1CCN([C@@H](C)C(=O)N(C)CCC#N)CC1 74160945 XYXGWRMMGSZIAG-ZDUSSCGKSA-N 309.414 -0.499 30 20 DBED N#C[C@@H]1CN(C(=O)C2=CC=CN3CCS(=O)(=O)N=C23)CCO1 264490441 NUTYDRKZKHITHD-SNVBAGLBSA-N 322.346 -0.765 30 20 DBED C[C@@H](O)C(=O)N1CCN(c2ncc([N+](=O)[O-])cc2C#N)CC1 270789806 LHUWWNSSAITIEB-SECBINFHSA-N 305.294 -0.109 30 20 DBED CN/C(=N\CCOC[C@H]1CCCO1)NCCN1CCOCC1 304701118 HLYVCJMLSHMMFW-CQSZACIVSA-N 314.430 -0.321 30 20 DBED COc1ccc(N/C(O)=N/[C@@H]2CCCS(=O)(=O)C2)nn1 329039624 NYNLEAUPNLDCMJ-MRVPVSSYSA-N 300.340 0.388 30 20 DBED C[C@H](CCO)N/C(O)=N/CC1CCN(S(C)(=O)=O)CC1 330433229 OUBOUINGABIILN-SNVBAGLBSA-N 307.416 -0.068 30 20 DBED CNC(=O)[C@@H]1CN([C@@H](C)C(=O)N/C(O)=N/CC(C)C)CCO1 330794396 DKHHXIGDMMIXDN-QWRGUYRKSA-N 314.386 -0.492 30 20 DBED CCN1CCC(N/C(O)=N/CCNS(=O)(=O)N(C)C)CC1 331249091 XKHMTBQFGAFQCH-UHFFFAOYSA-N 321.447 -0.630 30 20 DBED COC(=O)C1CCN(S(=O)(=O)N2CC(C)(C#N)C2)CC1 332037803 XHPAHBPQEBRWBH-UHFFFAOYSA-N 301.368 -0.038 30 20 DBED COC[C@](C)(NS(=O)(=O)N(C)[C@@H](C)CC#N)C(=O)OC 337889279 GCWRESFBRQMDEI-ONGXEEELSA-N 307.372 -0.367 30 20 DBED CN(CC(=O)N1CCOCC1)S(=O)(=O)CCCCC#N 345017279 KLGIBABIQUAYTM-UHFFFAOYSA-N 303.384 -0.199 30 20 DBED C[C@H](C#N)S(=O)(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 352412861 JNGZKZMZIMLNQM-VXGBXAGGSA-N 315.395 -0.201 30 20 DBED C=C[C@@H](CO)NC(=O)C(=O)Nc1ccc(-n2cnnn2)cc1 354648122 IKOXTLVUYKXCHB-VIFPVBQESA-N 302.294 -0.736 30 20 DBED Cn1c(N[C@@H]2CCO[C@]3(CCOC3)C2)c(C#N)c(=O)n(C)c1=O 378415560 OJSMMUYMIAJQES-MEBBXXQBSA-N 320.349 -0.294 30 20 DBED O=C(NCCN1CCCS1(=O)=O)c1cccc(C#CCO)c1 406002183 QMHFCGBDIPPEHY-UHFFFAOYSA-N 322.386 -0.204 30 20 DBED CCS(=O)(=O)N1CCC[C@@H](C(=O)N2CC(O)(CC#N)C2)C1 408159938 SKVZSTIFTRHJMV-LLVKDONJSA-N 315.395 -0.465 30 20 DBED C=CCCOCCNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C 418993367 NZFZEJNHDNARBD-VXGBXAGGSA-N 313.398 -0.076 30 20 DBED Cc1cc(S(=O)(=O)CC(=O)N2CCNC(=O)C2)ccc1C#N 424203572 JLSHOSITDCBJNW-UHFFFAOYSA-N 321.358 -0.401 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2C[C@H](C)N[C@@H](C)C2)nn1 424548508 PXUDMTKNBOZCEZ-QWRGUYRKSA-N 306.370 -0.711 30 20 DBED Cn1cc([C@H](CO)NS(=O)(=O)c2cccnc2C#N)cn1 428371108 UOKALKALRRQGEW-NSHDSACASA-N 307.335 -0.301 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H]2CC[C@H](C)O2)C1=O 457359341 IBVCUMFCISHKQJ-UWVGGRQHSA-N 309.322 -0.353 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)C(CC)(CC)CO)CC1 491535936 GGBRJPZYJLVLLC-UHFFFAOYSA-N 309.410 -0.321 30 20 DBED CCOC(=O)N1CCN(S(=O)(=O)NC[C@H](C)C#N)CC1 493137659 FHKGFQGFCXHUAS-SNVBAGLBSA-N 304.372 -0.245 30 20 DBED C=CCNC(=O)[C@@H]1CCCN1C(=O)c1ccc2c(c1)B(O)OC2 584945127 OFUIFDOINDLOIS-AWEZNQCLSA-N 314.150 -0.189 30 20 DBED N#Cc1ncn(CC(=O)N2CCC[C@@H](N3CCOCC3)C2)n1 597706461 GNDGIHDPOXVELO-GFCCVEGCSA-N 304.354 -0.527 30 20 DBED C[C@@H](C(=O)N(CCN(C)C)CC(=O)N(C)C)n1cnc(C#N)n1 598186025 RJDLQULXKNFRFR-NSHDSACASA-N 321.385 -0.811 30 20 DBED C=C(C)CN(CC)C(=O)C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1OC 612195369 CZOMMJAOLNPKHE-GHMZBOCLSA-N 318.395 -0.661 30 20 DBED C#CCCN1CCN(C(=O)CN(C)CC(=O)NC(C)C)CC1 744425366 KZALHJNIFOGIFW-UHFFFAOYSA-N 308.426 -0.390 30 20 DBED CCOC(=O)C1=C(CN(CC#N)CC(=O)OC)NC(=O)N[C@H]1C 746455488 PJEOHZDJRPZGLV-VIFPVBQESA-N 324.337 -0.497 30 20 DBED Cn1cc(C=NNC(=S)NCC(F)(F)F)c(=O)n(C)c1=O 746496516 HSLJWWDMCYBMHR-UHFFFAOYSA-N 323.300 -0.556 30 20 DBED Cc1nn(C)c(N2CCOCC2)c1C=NNS(C)(=O)=O 755773256 FXWCWXNSJNKUCG-UHFFFAOYSA-N 301.372 -0.552 30 20 DBED COC(=O)CN(CC#N)S(=O)(=O)c1cnc(Cl)n1C 769421400 XYEVQYDAYCHIQZ-UHFFFAOYSA-N 306.731 -0.239 30 20 DBED C#CCNC(=S)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F 795105313 CKTOUDHCOLNGSV-SSDOTTSWSA-N 317.358 -0.094 30 20 DBED N#Cc1ccc(N2CCN(CCCS(N)(=O)=O)CC2)cn1 801551140 KPZWMSCCUODCFU-UHFFFAOYSA-N 309.395 -0.246 30 20 DBED C#CCCS(=O)(=O)N1CCN(C(=O)CN2CCCC2)CC1 808290640 UMEYJNZHXCVZPU-UHFFFAOYSA-N 313.423 -0.421 30 20 DBED CC(C)(C)c1nc(C#N)c(NN=C2C(=O)NC(=O)NC2=O)o1 814219197 JODWFXVCTIAPMN-UHFFFAOYSA-N 304.266 -0.022 30 20 DBED CC(=NNc1ncnc2c1cnn2C)c1cn(CC(=O)O)nn1 825809566 ZTZXGMDZWKYXII-UHFFFAOYSA-N 315.297 -0.125 30 20 DBED C#CCSCCNC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1 828458927 GHRRPAYBYQWBGE-SNVBAGLBSA-N 305.425 -0.616 30 20 DBED C#CC[C@H](NC(=O)[C@H]1COCCN1CC(F)F)C(=O)OC 837949772 YBEIIBWBQJGADZ-VHSXEESVSA-N 304.293 -0.367 30 20 DBED C#C[C@H](NC(=O)C(=O)N(CCC)[C@@H]1CCNC1)[C@H]1CCCO1 842163398 LZSLPGNYCONFPR-HZSPNIEDSA-N 307.394 -0.116 30 20 DBED N#C[C@@H]1CNC[C@@H]1NC(=O)CCOc1cccc(C(N)=O)c1 843461787 NNUOICGRQCOUNZ-YPMHNXCESA-N 302.334 -0.218 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCCC[C@@H]1CNS(N)(=O)=O 854839476 IIISLOVIUOTAPH-WDEREUQCSA-N 303.384 -0.801 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)OCC2CC2)CC1 872515739 UPWIDTQUWUTGOB-UHFFFAOYSA-N 301.368 -0.382 30 20 DBED C#CCN1CCC[C@H](NS(=O)(=O)c2cc(C(N)=O)n(C)c2)C1 885514143 QRUHUDKXUGTRJA-NSHDSACASA-N 324.406 -0.500 30 20 DBED C#CCN1CCC[C@@H](NC(=O)NCCN2CCC(O)CC2)C1 896487847 FGRRWMMDPZLOFW-CQSZACIVSA-N 308.426 -0.160 30 20 DBED C[C@@H]1CN(CC#N)CC[C@H]1NC(=O)c1cn(C)c(=O)n(C)c1=O 943233619 QCFMDKATJTXBFR-ZYHUDNBSSA-N 319.365 -0.952 30 20 DBED C#Cc1ccc(C(=O)N2CCCC[C@H](NC(=O)C(N)=O)C2)nc1 943490569 HCCREQPEJBWAMI-LBPRGKRZSA-N 314.345 -0.341 30 20 DBED CC#CCN1CC[C@H](NC(=O)Cn2c(O)nnc2O)[C@H](C)C1 944347007 NWBNUSFKSFXTRR-MNOVXSKESA-N 307.354 -0.461 30 20 DBED CC(C)(C(N)=O)C(=O)N1CC[C@@H]1CNC(=O)c1c[nH]c(C#N)c1 949499220 YHGNMYBAXDLCDR-LLVKDONJSA-N 317.349 -0.271 30 20 DBED C=C(Cl)CN1CCN(C(=O)CN2C(=O)CN(C)C2=O)CC1 957585058 OZCKERNHFRDGPZ-UHFFFAOYSA-N 314.773 -0.223 30 20 DBED COc1nc(C)ncc1C(=O)NC[C@H]1CN(CC#N)C[C@H]1O 958122505 WRCGTMICVJCTDP-CMPLNLGQSA-N 305.338 -0.660 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2cnc3[nH]nnc3c2)C1 958135526 OTKATKUAGPRLAD-PWSUYJOCSA-N 300.322 -0.991 30 20 DBED C=CCN1C[C@H](O)[C@H](CNC(=O)c2cn3cccnc3n2)C1 958213777 APEIELYSIYXVOP-YPMHNXCESA-N 301.350 -0.062 30 20 DBED C=CCCN1C[C@@H]2C(NC(=O)CN3CCN(C)C(=O)C3)[C@H]2C1 960627310 CAHNYUMQOYPJCC-STQMWFEESA-N 306.410 -0.617 30 20 DBED C#CCN1C[C@@H]2C(NC(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)[C@H]2C1 961744873 NBGFHGIKZOPPJB-RVMXOQNASA-N 305.378 -0.698 30 20 DBED N#Cc1ccc(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@H]3CCOC3)C2)[nH]1 961799290 CALHGVWSNZFHMC-BIMULSAOSA-N 318.333 -0.776 30 20 DBED C=C(C)CN1C[C@H]2[C@H](NC(=O)CN3C(=O)NC(C)(C)C3=O)[C@H]2C1 962447433 BVSMQZHLUAWKTC-PJXYFTJBSA-N 320.393 -0.061 30 20 DBED C#CCCN1CC[C@H](C)[C@H](NC(=O)CN2CCC(=O)NC2=O)C1 968517568 PFSYDXFMDYGJOG-QWHCGFSZSA-N 320.393 -0.222 30 20 DBED C[C@H]1CCN(CC#N)C[C@H]1NC(=O)CN1C(=O)CN(C)C1=O 968628203 UQMDDJPXHGMFAM-WDEREUQCSA-N 307.354 -0.769 30 20 DBED COCCn1nc(C(=O)N[C@H](C)C2CN(CC#N)C2)ccc1=O 970106220 XBLQRZNDHBDWTD-LLVKDONJSA-N 319.365 -0.537 30 20 DBED C#CCOc1ncccc1C(=O)N1CC[C@@H](NCC(N)=O)C1 970511309 GRBPZFAILUQRFU-LLVKDONJSA-N 302.334 -0.617 30 20 DBED N#Cc1cc(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@@H]3CC34CC4)C2)c[nH]1 970917952 STUXSFODTSSXMU-XQQFMLRXSA-N 314.345 -0.012 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@]2(CN(CCO)CCO2)C1 972560874 ITBKCXKQBUWBKS-IJEWVQPXSA-N 310.394 -0.127 30 20 DBED Cn1cccc(C(=O)N2CC[C@]3(CN(CC#N)CCO3)C2)c1=O 972641937 BXAPZVHZXIVRMC-INIZCTEOSA-N 316.361 -0.174 30 20 DBED C=CCN1CCO[C@]2(CCN(C(=O)CN3C(=O)CNC3=O)C2)C1 972667682 QRASLQJSTRUIGE-OAHLLOKOSA-N 322.365 -0.973 30 20 DBED C=CCN[C@@H]1CCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)[C@H]1C 987104453 PUKGDFYKZUTDPL-VHSXEESVSA-N 308.338 -0.828 30 20 DBED C=CCn1cc(C(=O)NC2CN(C(=O)c3cccnn3)C2)nn1 991674093 SQRIARFSVZDDIO-UHFFFAOYSA-N 313.321 -0.492 30 20 DBED C#Cc1ccc(C(=O)N2CC(NC(=O)[C@@H]3CCN(C)C3)C2)cn1 991718259 RRVUFNFDZAHBEY-CYBMUJFWSA-N 312.373 -0.045 30 20 DBED C[C@H](C#N)C(=O)N1CC(NC(=O)C[C@@H]2CCS(=O)(=O)C2)C1 995060464 INLMWMLBCUEZNA-ZJUUUORDSA-N 313.379 -0.702 30 20 DBED C#CCN[C@H]1CCCN(C(=O)[C@H]2C[C@H](OC)CN2C(C)=O)C1 999800515 PPUSKLMJGMETBU-SOUVJXGZSA-N 307.394 -0.164 30 20 DBED Cn1oc(C(=O)NCC2CN(C(=O)C#CC3CC3)C2)cc1=O 1001600393 GYPJHGMVXFYIMA-UHFFFAOYSA-N 303.318 -0.420 30 20 DBED CC(=O)N1CC[C@H](C(=O)NCC2CN(C(=O)[C@H](C)C#N)C2)C1 1003641253 NZEBTUTZKQOMQR-MFKMUULPSA-N 306.366 -0.411 30 20 DBED C[C@H]1CCN(C(=O)C#CC2CC2)C[C@H]1NC(=O)Cn1cnnn1 1004472095 GWOIQLHIBYMTKM-WCQYABFASA-N 316.365 -0.560 30 20 DBED C[C@H](NC(=O)c1cnn(C)c1N)C1CN(C(=O)[C@H](C)C#N)C1 1005953934 PZCWRZVSLTVFBJ-BDAKNGLRSA-N 304.354 -0.261 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnn[nH]3)C2)C1 1007672642 DAFGKHZEWWELRQ-HZMBPMFUSA-N 318.337 -0.592 30 20 DBED O=C(C#CC1CC1)N1CCN(C(=O)Cn2ccccc2=O)CC1 1011111060 XKDZUKWFFRTFMD-UHFFFAOYSA-N 313.357 -0.068 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C(=O)CN2CCCNC2=O)CC1 1011458617 LAIMFXYVXHUMQU-LLVKDONJSA-N 307.354 -0.768 30 20 DBED N#CCN1CC[C@H](NC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1 1015697596 WZRNMSFZPQEDMT-MELADBBJSA-N 320.393 -0.130 30 20 DBED C[C@H](C#N)C(=O)N1CCCO[C@@H](CNC(=O)c2ccnn2C)C1 1019547381 ZMSVZKWDURFCBY-NEPJUHHUSA-N 319.365 -0.073 30 20 DBED CN1CC[C@@H](C(=O)NC[C@@H]2CCCN(CC#N)C2)S1(=O)=O 1023644418 LODWYIIBFUXHLE-RYUDHWBXSA-N 314.411 -0.628 30 20 DBED CN1CC[C@H](CC(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2O)C1 1024773654 CFCUBUGVKONTLQ-RBSFLKMASA-N 319.405 -0.571 30 20 DBED C=CCN1CC[C@H](NC[C@H]2CCCCN2C(=O)C(N)=O)C1=O 1025063649 HYHWAMOSYOHZJA-NEPJUHHUSA-N 308.382 -0.771 30 20 DBED N#CCN1CCC[C@@H]1CNC(=O)c1cnn2c(=O)cc[nH]c12 1028186658 QIQUVHSFQYRGDH-SNVBAGLBSA-N 300.322 -0.260 30 20 DBED C=C(Br)CN1CC(NC(=O)[C@@H]2CCC(=O)N2)C1 1031277667 MTQFWRDTZXNQAN-VIFPVBQESA-N 302.172 -0.026 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)[C@H]2CCN(C)S2(=O)=O)C1 1033502383 PIYMBMWNUBCSGB-VXGBXAGGSA-N 301.412 -0.261 30 20 DBED C=CCN1CC[C@H](N2CCCC[C@H](NC(=O)C(N)=O)C2)C1=O 1034373907 ZCJCZWMWXFJGKF-RYUDHWBXSA-N 308.382 -0.771 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)c2ccc3oc(O)nc3n2)C1 1035578131 URVYNTLTTGZWFH-JTQLQIEISA-N 316.317 -0.008 30 20 DBED C#CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1cn2nc(C)cc2[nH]c1=O 1037626723 PRBLRMPYKOZNQN-SCDSUCTJSA-N 311.345 -0.233 30 20 DBED Cn1cnn(CC(=O)N2C[C@@H]3CCC[C@H](C2)N3CC#N)c1=O 1039707325 NWICZRMLPAKZBU-TXEJJXNPSA-N 304.354 -0.829 30 20 DBED C=CCOCC(=O)N1CC[C@](O)(CNC(=O)c2c[nH]nc2C)C1 1040460052 BTCBXVZNAQIGHA-HNNXBMFYSA-N 322.365 -0.386 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)Cn3ccnc3)C2)nc1 1041081683 QEIGQLXVKRRYTH-CHWSQXEVSA-N 312.333 -0.484 30 20 DBED CCc1cc(C(=O)NCC2(O)CN(C(=O)[C@H](C)C#N)C2)n[nH]1 1041592986 FZYHDCBBGGTGHR-SECBINFHSA-N 305.338 -0.565 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)[C@H]2C[C@H](C)CO2)C1 1042039943 MIOHTQOVAOQPDT-NWDGAFQWSA-N 312.366 -0.697 30 20 DBED CN(C(=O)c1cc(C#N)c[nH]1)C1CN(Cc2nnnn2C)C1 1042588784 XVPXGRQHQHCKLA-UHFFFAOYSA-N 300.326 -0.634 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CC2(C)C)C1 1042600393 JBGGXXCZMWLTMJ-LBPRGKRZSA-N 308.378 -0.238 30 20 DBED C=CCCC1(C(=O)N2CC(O)(CNC(=O)CC(=O)NC)C2)CC1 1042727020 AKGLCJUECOPEQX-UHFFFAOYSA-N 323.393 -0.442 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)[C@]2(C)CCC(=O)N2)C1 1042940408 OMNIIBABRVZOOD-HNNXBMFYSA-N 321.377 -0.996 30 20 DBED CCn1cc(C(=O)N2CC(O)(CNC(=O)C#CC3CC3)C2)cn1 1042958984 RGPFULDKSBWVBY-UHFFFAOYSA-N 316.361 -0.381 30 20 DBED C[C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1N=c1cc[nH]cc1C#N 1043344450 ZGMZJJZEPWOYAW-BXUZGUMPSA-N 311.349 -0.074 30 20 DBED Cc1ocnc1C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1043844529 JFWDXPYEGOXDFP-ZJUUUORDSA-N 314.305 -0.376 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)C2(C)CCC2)C1 1044537130 WSWLGSUAFHYQQK-LBPRGKRZSA-N 308.378 -0.096 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(c2nccnc2F)C[C@@H]1O 1044560064 QWFLVHXKOPXAIN-WYUUTHIRSA-N 322.340 -0.128 30 20 DBED C=C(C)C[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2nnn(C)n2)C1 1044938759 IKXZTWWNYRAGDL-SNVBAGLBSA-N 322.369 -0.885 30 20 DBED C=C[C@H](C)[C@H](C)C(=O)NCC1(O)CN(C(=O)c2cnnn2C)C1 1044979989 JFXFEWBBAGKIHM-QWRGUYRKSA-N 321.381 -0.424 30 20 DBED C=C[C@H](C)[C@@H](C)C(=O)N1CC(O)(CNC(=O)C2(C(N)=O)CC2)C1 1045493331 FUWDPTKDNOAZQO-WDEREUQCSA-N 323.393 -0.600 30 20 DBED CO[C@H](CC(C)C)C(=O)NCC1(O)CN(C(=O)[C@H](C)C#N)C1 1046186123 IGQQRKACXSTKAW-VXGBXAGGSA-N 311.382 -0.103 30 20 DBED N#Cc1nccnc1N[C@H]1C[C@@H](CNC(=O)[C@H]2COC(=O)N2)C1 1046369365 FRQJRZVESSFZFJ-WCABBAIRSA-N 316.321 -0.237 30 20 DBED C=C(C)CN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1 1047384515 WBYPWVNXQRCLEB-MQYQWHSLSA-N 309.410 -0.019 30 20 DBED CC(=O)Nc1cccnc1C(=O)N(C)[C@H]1CN(CC#N)C[C@@H]1O 1047405506 GZUPQRVBEVXEHD-STQMWFEESA-N 317.349 -0.319 30 20 DBED C#CCOCCC(=O)N(C)[C@H]1CN(C(=O)C(F)F)C[C@@H]1O 1048847962 QDSWIXDOIXRXSV-UWVGGRQHSA-N 304.293 -0.679 30 20 DBED C#CCO[C@H](C)C(=O)N(C)[C@H]1CN(C(=O)[C@H]2CCOC2)C[C@@H]1O 1048852197 HKDZAGFHKWRKIS-RFGFWPKPSA-N 324.377 -0.909 30 20 DBED C=CCOCC(=O)N1CC[C@H]([C@H](C)NC(=O)c2ncn(C)n2)C1 1050298745 XVEYGIKSXNVKNG-RYUDHWBXSA-N 321.381 -0.016 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)c1cncnc1O)CCO2 1053301184 JVJSBPKAIAGPTM-UHFFFAOYSA-N 302.334 -0.268 30 20 DBED C=C(Cl)CN1CC2(C1)CN(C(=O)[C@H]1CNC(=O)N1)CCO2 1053402725 LWPIJLVIEFMWAC-SNVBAGLBSA-N 314.773 -0.667 30 20 DBED C=CCN1CC2(CC[C@@H](CNC(=O)[C@@H]3CN(C)C(=O)N3)O2)C1 1053642762 JQVGKMABNJUCAI-RYUDHWBXSA-N 308.382 -0.454 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)[C@H]3CCCNC3=O)CO2)C1 1053836329 VOPOMVFVOPMDQC-STQMWFEESA-N 305.378 -0.505 30 20 DBED N#Cc1cncc(N2C[C@H]3C(NC(=O)c4ccc(O)nn4)[C@@H]3C2)n1 1056113578 HLTKHLQIGUDRAL-NXEZZACHSA-N 323.316 -0.292 30 20 DBED N#Cc1nccc(N2C[C@H]3[C@H](NC(=O)Cc4cncnc4)[C@H]3C2)n1 1056189886 DZQDGOVHYSTBPR-ATCWAGBWSA-N 321.344 -0.068 30 20 DBED N#Cc1cncc(N2C[C@@H]3C(NC(=O)C45CCN(CC4)C5)[C@H]3C2)n1 1056267760 RISXROQGBPFQEK-STQMWFEESA-N 324.388 -0.005 30 20 DBED Cc1nn[nH]c1C(=O)N[C@H]1[C@@H]2CN(c3ccc(C#N)nn3)C[C@@H]21 1056363115 WSYKWVUCXOENGC-IWIIMEHWSA-N 310.321 -0.361 30 20 DBED CC(C)(C)C#CC(=O)N1CCC[C@H]2CN(C(=O)C(N)=O)C[C@H]21 1056665094 GQNIVIYIVBDWDD-NWDGAFQWSA-N 305.378 -0.029 30 20 DBED N#Cc1nc(=N[C@@H]2CCN(C(=O)[C@H]3CCCNC3=O)C2)cc[nH]1 1056721551 UEWRGBKDRUUBNW-MNOVXSKESA-N 314.349 -0.691 30 20 DBED CC(C)(F)C(=O)N(CCO)CCNC(=O)CSCC#N 1056776612 PFTYYJOEEIFBEX-UHFFFAOYSA-N 305.375 -0.072 30 20 DBED CC(F)(F)C(=O)N(CCO)CCNC(=O)CSCC#N 1056782229 JOWWMLUWEIQUNZ-UHFFFAOYSA-N 309.338 -0.165 30 20 DBED CO[C@@H](C)CC(=O)N(CCO)CCNC(=O)c1ccc(C#N)[nH]1 1057163644 WIWDETPIFDALGO-NSHDSACASA-N 322.365 -0.138 30 20 DBED C#CCNC(=O)CC(=O)NCCN(CCO)C(=O)[C@H]1CC1(C)C 1057363216 CVFXYXBYLWADSF-GFCCVEGCSA-N 323.393 -0.891 30 20 DBED Cc1nn[nH]c1C(=O)N1CCC(N=c2cc[nH]c(C#N)n2)CC1 1057401547 LRMDRJFMTDRWNN-UHFFFAOYSA-N 312.337 -0.087 30 20 DBED C=C[C@@](C)(O)CC(=O)N(CCO)CCNC(=O)c1nc(C)c[nH]1 1057452330 YTYFPYDFHHGFAY-OAHLLOKOSA-N 324.381 -0.404 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)CCc1cn[nH]c1 1057706100 WMXIZQNYQUREAG-UHFFFAOYSA-N 320.393 -0.061 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(CCO)CCNC(=O)C1(C)CC1 1057962328 RDBLTKJSQFRJRM-AWEZNQCLSA-N 321.421 -0.179 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)CCCC(N)=O 1057989395 NBHOVFWEINIKHB-UHFFFAOYSA-N 311.382 -0.762 30 20 DBED Cc1cc(C#N)nc(N2CC[C@@H](NC(=O)[C@H]3CCC(=O)N3)C2)n1 1058313300 LNILUDPILKMZPV-ZYHUDNBSSA-N 314.349 -0.370 30 20 DBED C[C@H]1C[C@@H](C(=O)N(CCO)CCNC(=O)[C@H](C)C#N)CCN1C 1058497243 MTKFJBYVPATXMA-RDBSUJKOSA-N 324.425 -0.187 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)[C@H]1C[C@@H]1C(F)F 1058653276 QZBZOZIXCDXTNE-GUBZILKMSA-N 303.309 -0.016 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)CCCCN(C)C 1058655280 VKTNQSVVZWJQPW-ZDUSSCGKSA-N 312.414 -0.185 30 20 DBED Cc1cc(C#N)nc(N[C@H]2CCN(C(=O)[C@@H]3CCNC3=O)C2)n1 1059019759 HKZOARBCFWKVPT-CMPLNLGQSA-N 314.349 -0.194 30 20 DBED N#Cc1ccc(N2CC[C@@H]3[C@@H](CCCN3C(=O)C(N)=O)C2)nn1 1059540284 NJFGVMYPAJAQNS-CMPLNLGQSA-N 314.349 -0.349 30 20 DBED Cc1cc(C#N)nc(N[C@@H]2CC[C@@H]3CN(C(=O)C(N)=O)C[C@@H]32)n1 1060552387 DYFVJLDCVAIJET-ADEWGFFLSA-N 314.349 -0.209 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CC[C@H](CNC(=O)[C@H]2CNC(=O)N2)CC1 1060815172 KEEKTXPGLMHKFW-DDHJBXDOSA-N 321.381 -0.381 30 20 DBED Cn1cnc(C(=O)NC[C@@H]2CCCN2c2ccnc(C#N)n2)n1 1061348202 CCQWZISWWDFLNJ-JTQLQIEISA-N 312.337 -0.124 30 20 DBED Cn1nncc1C(=O)NC[C@@H]1CCN(c2ccnc(C#N)n2)C1 1061590682 BVHSVYJBQFNWGU-JTQLQIEISA-N 312.337 -0.267 30 20 DBED C=CCOCC(=O)NCC1(NC(=O)[C@H]2CCNC2=O)CCC1 1062704613 RGGFXQSCXBDXKR-NSHDSACASA-N 309.366 -0.520 30 20 DBED CN(C(=O)[C@@H]1COCCO1)[C@H]1CCN(c2ccnc(C#N)n2)C1 1062887027 SAAHSLOXLLBYIS-RYUDHWBXSA-N 317.349 -0.199 30 20 DBED C=CCO[C@@H](C)C(=O)NCC1(NC(=O)c2nnn(C)n2)CCC1 1063427841 KRUFVBVJDLASIQ-JTQLQIEISA-N 322.369 -0.430 30 20 DBED C=C[C@@](C)(O)CC(=O)NC1(CNC(=O)c2nc[nH]n2)CCC1 1064000086 SFPNRTLUSFTBMJ-CYBMUJFWSA-N 307.354 -0.100 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@H]1CN(C(=O)c2ccon2)CCO1 1064911144 CLSCMVZWAGAKEJ-IAQYHMDHSA-N 323.349 -0.041 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)CNC(=O)OC)CCO1 1064916177 USZVLMKBPWHYGS-NSHDSACASA-N 313.354 -0.348 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCO[C@H](CNC(=O)C#CC2CC2)C1 1065153861 DMDFVXGYOGURCU-DZGCQCFKSA-N 318.373 -0.218 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)CCCC(N)=O)CCO1 1065305745 SSUPQHACMMJFJG-GFCCVEGCSA-N 311.382 -0.048 30 20 DBED C#CCCCC(=O)N1CCC[C@@H](NC(=O)CNC(N)=O)CC1 1065824109 DTMMBDCVFZDQDH-GFCCVEGCSA-N 308.382 -0.045 30 20 DBED C=CCOCC(=O)N[C@H]1CCCN(C(=O)C2(C(N)=O)CC2)CC1 1065987786 TXFLFRKLAVRXCA-LBPRGKRZSA-N 323.393 -0.048 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CCCN(C(=O)Cn2cnnn2)CC1 1066476211 WWPFFTHCKAKWOQ-QWRGUYRKSA-N 305.342 -0.670 30 20 DBED N#Cc1nccc(N2C[C@H](O)[C@H](CNC(=O)c3cnco3)C2)n1 1067688898 NFZKMAMPMWZLAV-ZJUUUORDSA-N 314.305 -0.437 30 20 DBED Cn1nncc1C(=O)NCC1[C@@H]2CN(c3nccnc3C#N)C[C@@H]12 1068172507 RFKQRPUULPYFSB-QWRGUYRKSA-N 324.348 -0.411 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CCCN(C(=O)C2CC(=O)NC(=O)C2)C1 1070984774 VPVOULQMDBVFBX-MWLCHTKSSA-N 320.349 -0.694 30 20 DBED C=CCC1(C(=O)N[C@H]2CN(C(=O)C(N)=O)C[C@H]2C)CCOCC1 1072638550 MDFJFBYNDCCJSS-NEPJUHHUSA-N 323.393 -0.192 30 20 DBED C#CCCN1CCO[C@H]2CCN(C(=O)c3c[nH]c(=O)cn3)C[C@H]21 1074324695 OAAMLWLWFOCLIZ-KGLIPLIRSA-N 316.361 -0.292 30 20 DBED C[C@@H](CC(N)=O)C(=O)N1CCC(O)(CNC(=O)[C@H](C)C#N)CC1 1074659480 JBRYHCDANRDOMW-WDEREUQCSA-N 324.381 -0.873 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)c1cnccn1 1075459173 BBZORVQQNFCUEP-NSHDSACASA-N 317.349 -0.759 30 20 DBED C[C@@H](CCNC(=O)Cn1cnnn1)NC(=O)C#CC(C)(C)C 1075558192 ZZBPSJYBKINFHH-NSHDSACASA-N 306.370 -0.266 30 20 DBED C=CCOCC(=O)NCC[C@H](C)NC(=O)CNC(=O)C1CC1 1075916389 IKWAFIBDFDRNJK-NSHDSACASA-N 311.382 -0.274 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)Cc1cc[nH]n1 1076219156 WEYCBWBEXKUNNN-NSHDSACASA-N 319.365 -0.897 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC[C@H](C)NC(=O)Cc1n[nH]c(C)n1 1076300577 NZJVQJYTXONGLH-ZUZCIYMTSA-N 323.397 -0.006 30 20 DBED C#CCO[C@H](C)C(=O)NCC[C@H](C)NC(=O)[C@H]1CCCC(=O)N1 1076510431 LOLBLGIXPKLTTO-YNEHKIRRSA-N 323.393 -0.296 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)[C@]2(C)CCC(=O)NC2)C1 1077549800 DJVLJDUEVOOMSZ-JTNHKYCSSA-N 315.801 -0.184 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3n[nH]cc3C2)C1 1077996603 AJEHSIYJJCIMJW-KCPJHIHWSA-N 302.378 -0.301 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CO)(NC(=O)CN2CCCC2)CC1 1080866570 OOZDHYFEXNOYBI-ZDUSSCGKSA-N 322.409 -0.288 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@H](CNC(=O)C2=COCCO2)C1 1081218085 PHRAGMCALXXGSH-OLZOCXBDSA-N 322.361 -0.386 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)CN(C)C(C)=O)C[C@@H]1O 1081332798 KXNPRCAIFSEUHX-OLZOCXBDSA-N 311.382 -0.634 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)C#CC(C)C)C[C@@H]1O 1081346671 LBYSWBBBYVZXKK-KGLIPLIRSA-N 308.378 -0.216 30 20 DBED C#CCCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cncnc2)C1 1081424225 BSXQKUNKVKBWIG-UONOGXRCSA-N 316.361 -0.171 30 20 DBED CC#CCN1C[C@@H](NC(=O)c2cnc3n2CCOC3)[C@H](OC)C1 1081817375 OPPDFCOPAKDEPJ-TZMCWYRMSA-N 318.377 -0.134 30 20 DBED C#Cc1cccc(NC(=O)CN2C[C@H](O)[C@H](NC(C)=O)C2)c1 1083295851 QIDPUXKYAWFJNU-CABCVRRESA-N 301.346 -0.212 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)c2cc(C)c(C(N)=O)cn2)C1 1083792459 QXJDPGALDWFDER-KGLIPLIRSA-N 318.377 -0.160 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CN(CC[C@H](C)F)C[C@@H]2O)nn1 1083843399 GCHQXOIYHCUGRG-LOWVWBTDSA-N 311.361 -0.013 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)[C@@]2(C)CCCS2(=O)=O)C1 1083851746 OLCIGXBUSBXDFP-MBNYWOFBSA-N 316.423 -0.309 30 20 DBED C#CCN[C@@H]1CC[C@H](CNC(=O)c2cc(=O)n3[nH]cnc3n2)C1 1086852540 HZQQFQVWBAMBJU-WDEREUQCSA-N 314.349 -0.461 30 20 DBED C#CCN[C@@H]1CC[C@H](CNC(=O)[C@H]2COCCN2C(C)=O)C1 1086878920 KQJPWORPWJXWCP-RRFJBIMHSA-N 307.394 -0.259 30 20 DBED CC[C@@H]1[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)CCN1CC#N 1087794483 NVKPLWXBZQKZPC-WDEREUQCSA-N 307.354 -0.627 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2cc3n(n2)CCCC3)[C@@H](O)C1 1090345490 ANFADIOOEOUTLO-OCCSQVGLSA-N 303.366 -0.092 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2cnc3[nH]c(O)nc3c2)[C@H](O)C1 1090377900 MGIKWXQFOWYJSA-MWLCHTKSSA-N 316.321 -0.648 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2ccnc(OC)n2)[C@@H](O)C1 1090423979 VGXOPFLQLCRXSG-AAEUAGOBSA-N 304.350 -0.327 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2cnc3nccn3c2)[C@H](O)C1 1090430502 MQHDEHODPCKBPY-ZIAGYGMSSA-N 313.361 -0.082 30 20 DBED C=CCCN1CC[C@@H](NC(=O)c2cn(C)c(=O)cn2)[C@H](O)C1 1090446344 QXTUZNUPOLCMKT-DGCLKSJQSA-N 306.366 -0.479 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2cccc(=O)n2C)[C@H](O)C1 1090552754 FWHZHQOMMSLTLE-TZMCWYRMSA-N 303.362 -0.426 30 20 DBED C[C@H](NC(N)=O)C(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@H]1C 1090699759 NSGGEHITTGEYCI-JFGNBEQYSA-N 316.365 -0.049 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2ccnc3nc(C)nn23)[C@H](O)C1 1090724519 KJQUDGXQJFBWIU-DGCLKSJQSA-N 314.349 -0.769 30 20 DBED CSCC(=O)N[C@@H]1CCN(c2cncc(C#N)n2)C[C@H]1O 1092147848 JRPQDZSDTKWJKP-GHMZBOCLSA-N 307.379 -0.233 30 20 DBED N#Cc1ccc(N2CC[C@H](NC(=O)C#CC3CC3)[C@@H](O)C2)nn1 1092150974 IXVXSHBNHRUZNM-KBPBESRZSA-N 311.345 -0.183 30 20 DBED N#Cc1cnc(NC2CC(CNC(=O)Cn3nccn3)C2)cn1 1092243098 AXRRQZNNIPTFNK-UHFFFAOYSA-N 312.337 -0.053 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCN(c2nccn3nnnc23)CC1 1093148371 GEMQNQJVUPCGNU-AWEZNQCLSA-N 317.353 -0.505 30 20 DBED CO[C@@H](C(=O)NCCNc1nccnc1C#N)[C@H]1CCOC1 1094011724 PYVGBMSQZNTLLC-CMPLNLGQSA-N 305.338 -0.072 30 20 DBED C=CCCN1CC(n2cc(CNC(=O)[C@H]3CCC(=O)N3)nn2)C1 1094281154 LYQXIAWNHYULEP-CYBMUJFWSA-N 318.381 -0.394 30 20 DBED CN(C)CCOCC(=O)NCCCNc1ccc(C#N)nn1 1094502785 AGAJXJOXALEGAW-UHFFFAOYSA-N 306.370 -0.155 30 20 DBED C#CCN1CCN(C(=O)[C@H](C)SC)[C@@H]2CS(=O)(=O)C[C@@H]21 1094609406 ZETYOADPFVHWPW-SDDRHHMPSA-N 316.448 -0.319 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)c3[nH]c(C)nc3C)CC2=O)C1 1094784546 GXCARUMCPFMZBW-GFCCVEGCSA-N 315.377 -0.325 30 20 DBED C[C@H](CC(N)=O)C(=O)NC1CCN(c2ccnc(C#N)n2)CC1 1095438396 MYTONLYCHCPBGE-SNVBAGLBSA-N 316.365 -0.055 30 20 DBED CCC(=O)NCC(=O)N[C@@H]1CCCN(c2nccnc2C#N)C1 1096148190 DRLDCGDLIQPLCW-LLVKDONJSA-N 316.365 -0.041 30 20 DBED N#Cc1c[nH]ccc1=N[C@H](CNC(=O)[C@@H]1COC(=O)N1)C1CC1 1096660779 ZVBCXQKRPFRXNN-OLZOCXBDSA-N 315.333 -0.210 30 20 DBED N#Cc1cccnc1N[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)C1CC1 1096799786 ASYDTKVVDWFHFD-RYUDHWBXSA-N 314.349 -0.059 30 20 DBED C[C@@H](CNC(=O)CN1C(=O)CNC1=O)Nc1ccc(C#N)cn1 1097838264 XPMTVQDBEUEXAK-VIFPVBQESA-N 316.321 -0.578 30 20 DBED CC1(C)CC[C@H](CNC(=O)Cn2c(O)nnc2O)N(CC#N)C1 1099324488 MSHZZCMRDIYGGT-SNVBAGLBSA-N 322.369 -0.180 30 20 DBED C[C@H](CCNC(=O)[C@@H]1CCC(=O)N1)Nc1ccc(C#N)nn1 1099361066 BTXGZTJZCQVYAJ-KOLCDFICSA-N 302.338 -0.066 30 20 DBED COCC#CCN1CC[C@H](NC(=O)Cn2cccn2)[C@@H](O)C1 1099662753 CWKYOQURGDMFNF-KBPBESRZSA-N 306.366 -0.916 30 20 DBED C=CCCC(=O)N[C@@H]1CCN(CCS(C)(=O)=O)C[C@@H]1O 1099727303 OINZGWWXHGTZHA-NEPJUHHUSA-N 304.412 -0.451 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)c2cnnn2C)[C@@H](O)C1 1099802687 ZRVYZRXDFUXBGZ-YPMHNXCESA-N 309.370 -0.817 30 20 DBED CCCCNC(=O)CN1CC[C@H](NC(=O)C#CC2CC2)[C@@H](O)C1 1099826525 MGPUPOCCOVQOAI-GJZGRUSLSA-N 321.421 -0.133 30 20 DBED Cc1c(C(=O)NCCN(C)c2cnc(C#N)cn2)nnn1C 1099975138 SHCFTXQNIFHPNJ-UHFFFAOYSA-N 300.326 -0.349 30 20 DBED C#CCCN1CC[C@H](NC(=O)CCc2cnccn2)[C@@H](O)C1 1100066239 FDWROVCRGWAQLW-GJZGRUSLSA-N 302.378 -0.016 30 20 DBED C=CCC1(C(=O)N[C@H]2CCN(CCO)C[C@H]2O)CCOCC1 1100092225 LHNRBTWSOOCHQX-UONOGXRCSA-N 312.410 -0.097 30 20 DBED C[C@H]1C[C@H](C(=O)NCCN(C)c2nccnc2C#N)CC(=O)N1 1100211505 PQIDCQKUTBULHC-QWRGUYRKSA-N 316.365 -0.185 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)Cc2cnc[nH]2)C1 1100706544 MHGNVMLTHWVFBH-UHFFFAOYSA-N 303.366 -0.814 30 20 DBED N#Cc1ccc(N2CC[C@@H](CNC(=O)CNC(N)=O)C2)nc1 1100927799 QBQKPEJZYTXBKV-NSHDSACASA-N 302.338 -0.436 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CC(CNC(=O)CCCC(N)=O)C1 1101072249 BELCADHJZQZHPX-PNESKVBLSA-N 322.409 -0.736 30 20 DBED C#CCN1C[C@@H](C)[C@H](CNC(=O)CCS(=O)(=O)NC)C1 1101967868 MXYWKXOQXPRAPR-VXGBXAGGSA-N 301.412 -0.757 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)CCN=c1cc[nH]c(C#N)n1 1102016533 ZLKGOTOWEHJOOY-ZDUSSCGKSA-N 312.377 -0.262 30 20 DBED CN(CCNc1cnc(C#N)cn1)C(=O)c1nnc(O)nc1O 1102050223 BRHMHFYEPGAUJP-UHFFFAOYSA-N 316.281 -0.871 30 20 DBED CC[C@@H](CNC(=O)[C@H]1CCNC1=O)Nc1nccnc1C#N 1103259405 KYJWSJHWZGUZPR-UWVGGRQHSA-N 302.338 -0.209 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)[C@@H]1CCC(=O)N1 1104034396 FHPDFXJJGJATHG-ZJUUUORDSA-N 302.338 -0.787 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)[C@H](C)CC(N)=O 1104155526 GCYAEWIPMVVRME-NXEZZACHSA-N 304.354 -0.554 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)[C@H]1CCN(C)C1=O 1104158952 FXBONBFYHVHMKQ-WDEREUQCSA-N 316.365 -0.587 30 20 DBED C=C(C)CNCc1cn(C2CN(C(=O)CC(=O)NC)C2)nn1 1105221871 ZADDIZHBBOJMFG-UHFFFAOYSA-N 306.370 -0.537 30 20 DBED C=C(C)CNCc1cn(C2CN(C(=O)c3cn(C)nn3)C2)nn1 1105227705 VEDJGGBTGAAFBP-UHFFFAOYSA-N 316.369 -0.231 30 20 DBED CC#CCNCc1cn(C2CN(C(=O)Cc3cnc[nH]3)C2)nn1 1105334711 LTTBRMDJYAAZAF-UHFFFAOYSA-N 313.365 -0.260 30 20 DBED Cc1nccn1CC(=O)NC[C@H](O)CNc1cnc(C#N)cn1 1105866743 ILLJLZWKNHKZPH-GFCCVEGCSA-N 315.337 -0.558 30 20 DBED C[C@@H](C(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1)C(F)(F)F 1106048085 ZMIQFIVVVDSWPJ-JGVFFNPUSA-N 317.271 -0.142 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)[C@@H]2[C@H]3COC[C@H]32)cn1 1106062979 PIKVXZCESVUMEA-IGQOVBAYSA-N 302.334 -0.265 30 20 DBED CCC[C@@H](C(=O)N1C[C@@H](C)[C@H](CNCC#N)C1)S(N)(=O)=O 1106477760 QLSIRWQFMXSNKJ-UTUOFQBUSA-N 316.427 -0.349 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)[C@H]1CCC(=O)N1 1106705601 FDMIZVQZHQYJTJ-SNVBAGLBSA-N 302.338 -0.691 30 20 DBED CCN(CCNc1cnc(C#N)cn1)C(=O)CCNC(=O)NC 1106749252 OFPMXHCBPGTEDC-UHFFFAOYSA-N 319.369 -0.072 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)CCN(C)CC)C[C@H]1C 1106839862 QHRPLYFSMKJECL-HUUCEWRRSA-N 322.453 -0.238 30 20 DBED N#Cc1cncc(NC/C=C/CNC(=O)[C@@H]2CC[C@@H]2C(N)=O)n1 1107451933 NXPPVYLYMIWRLX-FGXISPTISA-N 314.349 -0.056 30 20 DBED C#CCNC(=O)CN1CCO[C@](C)(CNC(=O)[C@H](C)C2CC2)C1 1107848119 NODYDCSQYMNDOS-CXAGYDPISA-N 321.421 -0.011 30 20 DBED C[C@H](CNc1ccc(C#N)cn1)NC(=O)C[C@@H]1NC(=O)NC1=O 1108194418 VCLJGFPOXHKLPV-SCZZXKLOSA-N 316.321 -0.532 30 20 DBED CN1C[C@@H](C(=O)NC[C@@]2(C)CN(CC#N)CCO2)CCC1=O 1108422206 KPXNKHPYUWPXTG-WFASDCNBSA-N 308.382 -0.415 30 20 DBED C[C@@H](CS(C)(=O)=O)C(=O)NC[C@@]1(C)CN(CC#N)CCO1 1108424880 UJUGWEOOYHFCCB-AAEUAGOBSA-N 317.411 -0.602 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)C[C@H]1CCNC1=O 1108573908 MZZTVSSFPYLTOD-VHSXEESVSA-N 302.338 -0.787 30 20 DBED C[C@@H](CN(C)c1cncc(C#N)n1)NC(=O)[C@H]1CCC(=O)N1 1108863184 CFZGXKFSMHBVRW-GXSJLCMTSA-N 302.338 -0.432 30 20 DBED C[C@H](CN(C)c1cnc(C#N)cn1)NC(=O)C[C@H]1CCNC1=O 1109114588 MHPJWONWMYFGSX-GHMZBOCLSA-N 316.365 -0.185 30 20 DBED N#Cc1nccc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)CCNC(N)=O)n1 1109708573 IKBKAGVTNDPJKT-ZDMBXUJBSA-N 315.337 -0.900 30 20 DBED N#Cc1c[nH]ccc1=NC1(CNC(=O)C[C@@H]2CCNC2=O)CC1 1110250417 IRCRMDGXPYJEJJ-NSHDSACASA-N 313.361 -0.038 30 20 DBED N#Cc1cncc(NCC2CC(NC(=O)C3(C(N)=O)CC3)C2)n1 1112866400 COEBGTJWSZCFPW-UHFFFAOYSA-N 314.349 -0.080 30 20 DBED C[C@H](CNC(=O)c1cc(=O)n(C)o1)N(C)c1cnc(C#N)cn1 1113579552 PCULLDBNZBOORD-SECBINFHSA-N 316.321 -0.105 30 20 DBED C[C@H](CNC(=O)c1c[nH]c(=O)cn1)N(C)c1nccnc1C#N 1113849912 RMFXLXZCLRKOTB-SECBINFHSA-N 313.321 -0.314 30 20 DBED N#CCSCC(=O)NC1[C@H]2CN(CCN3CCCC3=O)C[C@H]12 1113899736 SONIOXHORKIGOU-RYUDHWBXSA-N 322.434 -0.088 30 20 DBED CC(C)C#CC(=O)N[C@H]1[C@@H]2CN([C@H]3CCC(=O)NC3=O)C[C@@H]21 1114247953 ROKNQBGHTKXPDX-OZTPJHRESA-N 303.362 -0.503 30 20 DBED C#CCOCCC(=O)N[C@H]1[C@@H]2CN(Cc3cnn(CC)n3)C[C@@H]21 1114266653 UNGVFYZLDJEKOG-FOLVSLTJSA-N 317.393 -0.116 30 20 DBED CC#CCN1C[C@H]2[C@H](NC(=O)CCN3C(=O)CCC3=O)[C@H]2C1 1114540303 MZHUOJLFBPSAEQ-ATCWAGBWSA-N 303.362 -0.405 30 20 DBED N#Cc1nccnc1N1C[C@H]2C(CNC(=O)Cn3cncn3)[C@@H]2C1 1114552078 KURCJKLDTJSXDF-RYUDHWBXSA-N 324.348 -0.562 30 20 DBED C=CCNC(=O)NC(=O)CN1C[C@@H]2C(NC(=O)[C@@H]3C[C@H]3C)[C@H]2C1 1114677622 FIAPYFMSCUKWOC-WYUUTHIRSA-N 320.393 -0.299 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@H](CCC)OCC)[C@H]2C1 1114719343 FJSUIUZJNSIBNY-KNCOVGOOSA-N 321.421 -0.013 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)c3ncccn3)[C@H]2C1 1115005246 IEPXXMPBEZQQIO-SRVKXCTJSA-N 313.361 -0.726 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3nc(C)oc3C)[C@H]2C1 1115011734 XWFSYRJHIXMPKA-JYAVWHMHSA-N 316.361 -0.299 30 20 DBED N#CCNC1(CNC(=O)CN2CCC(=O)NC2=O)CCCCC1 1115806950 DOBILIPNTBIURN-UHFFFAOYSA-N 321.381 -0.139 30 20 DBED C[C@H](CN(C)C(=O)CCn1cnnn1)Nc1ccc(C#N)nn1 1115808912 RXVVJMOOEWQHEH-SNVBAGLBSA-N 315.341 -0.316 30 20 DBED COC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)C#CC(C)(C)C 1120803166 OKHPPOHMAPVAHO-JTQLQIEISA-N 301.364 -0.166 30 20 DBED Cc1c(C(=O)NC[C@@H](CO)N=c2cc[nH]cc2C#N)cnn1C 1121044267 PFSNJAVZNXSJMZ-LBPRGKRZSA-N 314.349 -0.380 30 20 DBED C[C@@H](C(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1)n1cccn1 1121213010 LKDWERFAINQJIL-QWRGUYRKSA-N 315.337 -0.883 30 20 DBED CNC(=O)CC(=O)NC[C@H](CO)Nc1ccc(C#N)c(C)n1 1121370457 GBWIFMDDSZRHKP-LLVKDONJSA-N 305.338 -0.713 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@H](CO)Nc1nc(C)cc(C#N)n1 1121405959 ROPCOFZITRFNFI-SWLSCSKDSA-N 319.365 -0.127 30 20 DBED CNC(=O)CCCC(=O)NC[C@@H](CO)Nc1cncc(C#N)n1 1121463010 CKXVGAGVPDGJFR-NSHDSACASA-N 320.353 -0.846 30 20 DBED Cc1cc(=N[C@H](CO)CNC(=O)c2n[nH]cc2C)c(C#N)c[nH]1 1121529013 SJGHDWWSRJMAKL-LBPRGKRZSA-N 314.349 -0.082 30 20 DBED C[C@@H]1CCO[C@@H]1C(=O)NC[C@H](CO)N=c1cc[nH]cc1C#N 1122584830 MEARAEAFGKWXEI-QKCSRTOESA-N 304.350 -0.311 30 20 DBED CN(CC(=O)NC[C@H](CO)N=c1cc[nH]cc1C#N)C1CCC1 1122740722 KXHURMRWRKTWPR-CYBMUJFWSA-N 317.393 -0.252 30 20 DBED CC(=O)NCC(=O)N1C[C@H](Nc2ccc(C#N)nn2)C[C@H]1C 1123121801 PCKZRBLTSWFPON-BXKDBHETSA-N 302.338 -0.114 30 20 DBED CC(=O)N[C@@H](C)C(=O)N(C)C[C@@H](O)CNc1ccc(C#N)cn1 1124059764 LUTGSJLNELSWHS-GWCFXTLKSA-N 319.365 -0.291 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)c1ccnn1C 1124562525 ZQTXARAOJWCILR-SNVBAGLBSA-N 322.369 -0.860 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)c1cccc2nn[nH]c12 1128061245 GOJZXXPRBGICHE-JTQLQIEISA-N 316.365 -0.032 30 20 DBED CC#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H](C)COC)C1 1128806668 BHHCPSBREUEPKY-MCIONIFRSA-N 305.382 -0.075 30 20 DBED CC#CCN[C@@H]1CN(C(=O)c2nc(C)c[nH]2)C[C@@H]1n1ccnn1 1130034571 SMAVGDUXRNTUKC-OLZOCXBDSA-N 313.365 -0.012 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)c1cncn1C 1130903793 YXNJOVDFZUERMU-JTQLQIEISA-N 322.369 -0.860 30 20 DBED C#CCCN1C[C@H]2C[C@@H]3CN(C(=O)CCNC(N)=O)C[C@@]3(C1)O2 1131289404 MCSGQADKBVIWIR-XJKCOSOUSA-N 320.393 -0.630 30 20 DBED C#CCN1C[C@@H](NC(=O)CCS(=O)(=O)NC)CC[C@@H]1C 1132038153 PKDLYESURPDFNF-RYUDHWBXSA-N 301.412 -0.472 30 20 DBED C=C(C)CN(CC)C(=O)CN1C[C@@H](NC(=O)C(N)=O)CC[C@@H]1C 1132253443 UFMBBOCMBCYIMX-STQMWFEESA-N 324.425 -0.135 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)Cn2cncn2)CC[C@@H]1C 1132462998 AXHKNRBUUXGART-STQMWFEESA-N 320.397 -0.451 30 20 DBED C[C@H]1CCN(C(=O)CN2CC(=O)NC2=O)C[C@H]1CNCC#N 1133185614 GJQZMRPESFDZIZ-WDEREUQCSA-N 307.354 -0.864 30 20 DBED C=CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)c1cnn(C)c1N 1134198186 UNXFRXJSYGFFAE-MNOVXSKESA-N 322.413 -0.209 30 20 DBED N#CCNC(=O)CN1CCCO[C@H](CNC(=O)C2CCC2)C1 1148941253 HYMOVZARIXXNNF-CYBMUJFWSA-N 308.382 -0.367 30 20 DBED C#CCNC(=O)CN1CCCO[C@@H](CNC(=O)c2cocn2)C1 1149355182 FHDULIWXWWIYRT-LBPRGKRZSA-N 320.349 -0.755 30 20 DBED C=C(C)CN1CCCO[C@H](CNC(=O)CS(C)(=O)=O)C1 1149374522 CILOMYLGULWLSB-GFCCVEGCSA-N 304.412 -0.186 30 20 DBED CCn1cc(CC(=O)NC[C@@H]2CN(CC#N)CCCO2)nn1 1150012484 KPDDQFYPSFBRKP-CYBMUJFWSA-N 306.370 -0.429 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)CN1CCCC1=O 1151824797 QOOGDIGXANWQHO-GFCCVEGCSA-N 323.397 -0.925 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)c1cncnc1C 1155075003 DVHUGZNFMQYOOX-GFCCVEGCSA-N 303.366 -0.368 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)CCc1cnn[nH]1 1155329935 GUMRISACKBCTRK-GFCCVEGCSA-N 320.397 -0.687 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)[C@@H]1CN2CCC1CC2 1158202152 DOZKGFSPYCUYKD-UKRRQHHQSA-N 320.437 -0.438 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)[C@H](C)c1ccnn1C 1158288194 RFNFXYOIRHNLTQ-OLZOCXBDSA-N 319.409 -0.243 30 20 DBED C=C[C@](C)(O)CC(=O)NCCC1(CNCc2nnn(C)n2)CC1 1164302893 BNTPIOUNQDVLMH-AWEZNQCLSA-N 322.413 -0.087 30 20 DBED C=CCNC(=O)CNCCCNC(=O)c1ccc(C(N)=O)[nH]1 1166826287 BYEDVOGOCDEGEJ-UHFFFAOYSA-N 307.354 -0.875 30 20 DBED C#CCNCCCC[C@H](C)NC(=O)CNS(=O)(=O)CC 1171069847 WIWBTMXFPAZFGD-LBPRGKRZSA-N 303.428 -0.177 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)CCCC(=O)NC)C[C@@H]21 1176994109 JZQKVNJKAMKYJT-KBPBESRZSA-N 307.394 -0.162 30 20 DBED C=CCCCN[C@H]1CCN(C(=O)CNC(=O)CNC(C)=O)[C@H]1C 1179019110 RGSFDECBRZTQHK-JSGCOSHPSA-N 324.425 -0.216 30 20 DBED C[C@@H]1CN(C(=O)c2cn[nH]c2)C[C@@]1(C)CNCC(=O)NCC#N 1180688930 FHQUDMVQMZXRKQ-IAQYHMDHSA-N 318.381 -0.263 30 20 DBED C#CCCCCC(=O)N1CC[C@@H](NCc2nc(=O)n(C)[nH]2)C1 1182108697 SPIVSFHUVXIPDI-GFCCVEGCSA-N 305.382 -0.008 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H]2CCN(C(=O)CC(=O)NC)[C@@H]2C1 1187673751 GSZKJQFUAQUUMW-RWMBFGLXSA-N 322.409 -0.654 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)c2nccnc2C(N)=O)C1 1187685130 XYBSLYIRKRPXPK-LLVKDONJSA-N 317.349 -0.971 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)COCCC=C)C1 1188301482 FINPRSUKGWXABL-UONOGXRCSA-N 307.394 -0.093 30 20 DBED C#CCCCC(=O)N1CC[C@@H](N(C)[C@@H](C)C(=O)NC(N)=O)C1 1189925679 DUOLATMBHKNIGL-NWDGAFQWSA-N 308.382 -0.094 30 20 DBED Cc1cc(C)n(CCN2C[C@@H](O)[C@H](NC(=O)[C@H](C)C#N)C2)n1 1191872305 HZTDPDXEPSKWES-LERXQTSPSA-N 305.382 -0.179 30 20 DBED C#CCCCCC(=O)N[C@@H]1CN(CC(=O)NC2CC2)C[C@H]1O 1192289341 MIRBNRLCXQJLSJ-ZIAGYGMSSA-N 307.394 -0.380 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(C[C@@H]2CCNC(=O)CC2)C[C@H]1O 1192760980 BAGBTQBODXLHET-RRFJBIMHSA-N 321.421 -0.277 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@@H]1CCN(C(=O)c2ccncn2)C1 1192948228 QPSASVTURRQYRN-QWHCGFSZSA-N 315.377 -0.239 30 20 DBED C=CCCOCC(=O)N1CC[C@H](N(C)[C@@H]2CCC(=O)NC2=O)C1 1194387665 CVSBEMHWPMTKAM-QWHCGFSZSA-N 323.393 -0.083 30 20 DBED C=CCC[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)c2nnc(O)nc2O)C1 1194430310 AFKPVWBKDUDSJB-OPRDCNLKSA-N 323.353 -0.588 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)CCN2CCOCC2)C1 1196939392 HIVOIGCVSRHWTE-CHWSQXEVSA-N 317.817 -0.378 30 20 DBED C#CCNC[C@@H]1CN(C(=O)c2ccc(=O)n(C)c2)CCCO1 1200873111 DYZFGUCAPLFTGU-CQSZACIVSA-N 303.362 -0.161 30 20 DBED CC(C)N1CCO[C@@H](C(=O)N2CCCO[C@H](CNCC#N)C2)C1 1201245704 LRDHDAHWHBVMNU-HUUCEWRRSA-N 324.425 -0.174 30 20 DBED C#CCNC[C@@H]1CN(C(=O)C2(C(=O)NC)CCC2)CCCO1 1201924152 CSMBUSCPCDKQFR-CYBMUJFWSA-N 307.394 -0.257 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2COCCO2)C1 1207394411 QQDXBBXDWXNPPD-OLZOCXBDSA-N 311.382 -0.715 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H](NCCCN2C(=O)CNC2=O)C1 1207692427 HOXRVVWLEPJGPJ-NWDGAFQWSA-N 321.381 -0.331 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC[C@H](NCC(=O)NCC=C)C1 1208014658 SAQGURBYMZBXPV-KGLIPLIRSA-N 307.394 -0.093 30 20 DBED CC#CCN[C@H]1CCCN(C(=O)CCNS(C)(=O)=O)C1 1208270475 AIQIQWZSHPHQOZ-LBPRGKRZSA-N 301.412 -0.470 30 20 DBED C=CCCN[C@@H]1CN(C(=O)CCS(=O)(=O)NC)C[C@H]1C 1214619482 IMKFNHJUTKSECL-VXGBXAGGSA-N 303.428 -0.062 30 20 DBED C#CCN[C@@H]1CN(C(=O)CN(C)S(=O)(=O)CC)C[C@H]1C 1216153276 MDJAMXISZAFKFQ-VXGBXAGGSA-N 301.412 -0.662 30 20 DBED C#CCNC(=O)CC(=O)N1CCO[C@@H]2CN([C@H](C)COC)C[C@@H]21 1217684404 MYDNTLYWGIPVQM-HZSPNIEDSA-N 323.393 -0.928 30 20 DBED CCCn1ncnc1CN1C[C@H](O)[C@H](NC(=O)[C@@H](C)C#N)C1 1219379569 UYSSBZYKPHYSAF-TUAOUCFPSA-N 306.370 -0.491 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C2[C@@H]3CCCC[C@@H]23)C1 1219416332 XLQRTNQHRSCPJX-SYQHCUMBSA-N 319.405 -0.667 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(Cc2ccn(C)n2)C[C@@H]1O 1219527605 VUZGCDZVGNESDK-VNHYZAJKSA-N 308.382 -0.592 30 20 DBED N#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C2CC3(CCC3)C2)C1 1220175844 HRBPRZHHINLAGR-OLZOCXBDSA-N 320.393 -0.632 30 20 DBED C=CCCCC(=O)N[C@@H]1CN(CCS(C)(=O)=O)C[C@@H]1O 1220242392 YOJKQWOWHJLRJC-NEPJUHHUSA-N 304.412 -0.451 30 20 DBED COCC#CCN1CCC(CNC(=O)[C@@H]2CN(C)CCO2)CC1 1222682555 XRGFIRLWBIYEJE-INIZCTEOSA-N 323.437 -0.205 30 20 DBED CC[C@@H](F)C(=O)NCC[C@H]1CN(CC#N)CCS1(=O)=O 1230480283 AYERUHQQVXVWBT-WDEREUQCSA-N 305.375 -0.137 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1CCOCCO 1235453898 HWEVKSQEPBAHDI-CVEARBPZSA-N 323.437 -0.374 30 20 DBED COCCCNC(=O)C1CCN(CC(=O)NCCC#N)CC1 1251201158 FKXUXSNJVGYIRT-UHFFFAOYSA-N 310.398 -0.119 30 20 DBED CCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N1CCO[C@@H](C#N)C1 1261083810 QTNOJFIDKAQGBN-SDDRHHMPSA-N 311.338 -0.952 30 20 DBED CN(C)C[C@](C)(C#N)NC(=O)[C@H]1CC(c2cnn(C)c2)=NO1 1262798905 NXWCDCVIJUWBLC-OCCSQVGLSA-N 304.354 -0.127 30 20 DBED C=C(C)Cn1c(CCO)nnc1N1CCN2C(=O)NC[C@H]2C1 1263298954 NYGWTVHYBRHVPW-NSHDSACASA-N 306.370 -0.397 30 20 DBED C#CCNC(=O)CN(C)CCN(C(=O)[C@H]1CCCN1C)C(C)C 1278914214 CLOSQZGWGXTOGT-OAHLLOKOSA-N 322.453 -0.001 30 20 DBED CCN(C)C(=O)CNC(=O)C(=O)Nc1cc(C)nn1CCC#N 1321360015 KJGFOEMYOLYTSN-UHFFFAOYSA-N 320.353 -0.362 30 20 DBED N#CCNC(=O)Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O 1321634958 QPQWXKMWEZQPMO-UHFFFAOYSA-N 324.362 -0.727 30 20 DBED C#C[C@H](NC(=O)C(=O)Nc1cnn(CC#N)c1)[C@H]1CCCO1 1324121348 OINXHCHMZFTLMM-NWDGAFQWSA-N 301.306 -0.358 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N(CCO)C1CCOCC1 1324238552 FYYFOEQSNXIPFN-NSHDSACASA-N 300.355 -0.697 30 20 DBED N#C[C@]1(F)CCN(C(=O)C(=O)N2CC(=O)N[C@@H]3CCCC[C@H]32)C1 1325190397 YDRSOGOSDMYXKS-UEKVPHQBSA-N 322.340 -0.280 30 20 DBED CNC[C@H](C)NC(=O)C(=O)NCc1ccc(OCC#N)cc1 1327835430 SDDNLPSHTVFXLB-NSHDSACASA-N 304.350 -0.071 30 20 DBED C[C@@H]1CN(C(=O)C(=O)NC2CCN(CC#N)CC2)C[C@]1(C)CO 1327967997 MYLLOVZJDXFDEG-MLGOLLRUSA-N 322.409 -0.433 30 20 DBED COCCn1ccc(NC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)n1 1328219527 FUTUQLOHQKPNRB-AWEZNQCLSA-N 321.337 -0.655 30 20 DBED CCCN1CC[C@H](NC(=O)C(=O)N2CC[C@](O)(CC#N)C2)C1 1328583147 IHDWXOHSENNJKZ-SWLSCSKDSA-N 308.382 -0.536 30 20 DBED Cc1nccn1CCCNC(=O)C(=O)N1CC[C@](O)(CC#N)C1 1332195091 SMQQQFMXLPPWNN-OAHLLOKOSA-N 319.365 -0.425 30 20 DBED C#C[C@H](C)N(C)c1nnc(CCc2nn[nH]n2)n1CCOC 1345085333 RTYPRNMCRGCYOT-JTQLQIEISA-N 304.358 -0.319 30 20 DBED C=CCNC(=O)[C@@H](C)S(=O)(=O)c1nncn1CCCOC 1345376152 CFNSLHXULNEFRL-SNVBAGLBSA-N 316.383 -0.221 30 20 DBED C=C(Br)CNC[C@H](O)CNC(=O)[C@@H]1COC(=O)N1 1379198095 LPMOMEARWYFNDC-YUMQZZPRSA-N 322.159 -0.930 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](NC(=O)CS(C)(=O)=O)C(C)(C)C 1384337555 UASOZJZKKDUMNO-ZJUUUORDSA-N 317.411 -0.162 30 20 DBED C[C@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)CNC(=O)C1CC1 1386711794 IAYXKCBGKHOKBS-SECBINFHSA-N 317.349 -0.353 30 20 DBED CC(=O)NCC(=O)NC[C@@H](C)CNC(=O)c1ccc(C#N)[nH]1 1388383257 DJBYTQJUSRNJFW-SECBINFHSA-N 305.338 -0.495 30 20 DBED COCCN(CCNC(=O)[C@H](C)C#N)C(=O)[C@@H](C)n1cncn1 1396173473 OBKGLAGJMKFWSW-VXGBXAGGSA-N 322.369 -0.410 30 20 DBED CCN(CCNC(=O)[C@@H](C)C#N)C(=O)C[C@H]1CCN(C)C1=O 1398132371 DXCZIFFKBKYTGJ-NWDGAFQWSA-N 308.382 -0.021 30 20 DBED CC(C)S(=O)(=O)CC(=O)NC1(CNC(=O)[C@H](C)C#N)CC1 1400651829 KERQWGOQIVMSBK-SNVBAGLBSA-N 315.395 -0.266 30 20 DBED N#Cc1ccc(C(=O)N2CCN(CC(N)=O)C(=O)C2)cc1O 1412216953 WAPFNHUVTBIONB-UHFFFAOYSA-N 302.290 -0.966 30 20 DBED N#Cc1ccc([C@@H](C(N)=O)N2CCC(O)(C(N)=O)CC2)cc1 1412983505 PVZYYUNVAFJYLW-LBPRGKRZSA-N 302.334 -0.603 30 20 DBED COCCN(CCNC(=O)[C@@H](C)C#N)C(=O)Cc1ccn(C)n1 1426071861 ONJIRMOZVNMNME-LBPRGKRZSA-N 321.381 -0.287 30 20 DBED CC(=O)NCC(=O)N1CCC[C@H](CN(C)C(=O)[C@@H](C)C#N)C1 1447267640 OFOXUVAYQPNKGY-WCQYABFASA-N 308.382 -0.021 30 20 DBED C=C(Cl)CN1CC[C@H]1CN(C)C(=O)CS(=O)(=O)NC 1479272741 ZSSNMIIHKWMRMU-JTQLQIEISA-N 309.819 -0.179 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](C)CCNC(=O)c1ccc(C(N)=O)nc1 1495583475 KLFSJQLAWCEWRE-VHSXEESVSA-N 317.349 -0.035 30 20 DBED CC(=O)CCCC(=O)NC[C@H](O)CNC(=O)c1c[nH]c(C#N)c1 1533175365 OIEQVXVXGGTYLF-ZDUSSCGKSA-N 320.349 -0.147 30 20 DBED C#CC[C@@]1(C(=O)NCCCCn2cc(C(N)=O)nn2)CCCN1 1574517986 SMJYCQFVBLRXNP-HNNXBMFYSA-N 318.381 -0.581 30 20 DBED N#Cc1ncc(N[C@H]2CCCC[C@@H]2C(N)=O)nc1-c1nn[nH]n1 1581883082 NZBPDCUZLGABPR-YUMQZZPRSA-N 313.325 -0.016 30 20 DBED C#CC[C@H](NC(=O)CN1CCCC2(CC2)S1(=O)=O)C(=O)O 1588406143 YPBSCOSIXQIZPD-JTQLQIEISA-N 314.363 -0.463 30 20 DBED CNCCCc1[nH]nc(NC(=O)[C@H](C)C#N)c1-c1nn[nH]n1 1591218010 JYPHBXUJVOJMGN-SSDOTTSWSA-N 303.330 -0.160 30 20 DBED N#C[C@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NCc1nn[nH]n1 1592666044 LKQXKFQJKFTCIG-JTQLQIEISA-N 324.308 -0.622 30 20 DBED COC(=O)CN(CC#N)S(=O)(=O)c1cncc(C(=O)O)c1 1598861402 XZRUTNTUICRGNI-UHFFFAOYSA-N 313.291 -0.533 30 20 DBED C#C[C@H](NC(=O)Nc1nn(C)cc1-c1nn[nH]n1)[C@H]1CCCO1 1602689033 NZMVLDLZRKBCAA-VHSXEESVSA-N 316.325 -0.098 30 20 DBED C[C@H](C(=O)N=c1cc[nH]cc1-c1nn[nH]n1)n1cnc(C#N)n1 1603030359 XISMYMAOCCIWQV-SSDOTTSWSA-N 310.281 -0.654 30 20 DBED N#CCN(CCC(=O)O)C(=O)Cn1cc([N+](=O)[O-])ccc1=O 1608185271 KFBBXRBVRNMSIB-UHFFFAOYSA-N 308.250 -0.417 30 20 DBED CC(C)[C@@H](NC(=O)NCCn1cnc(C#N)n1)c1nncn1C 1649799655 GIJYDOJKLIUALG-LLVKDONJSA-N 317.357 -0.025 30 20 DBED N#CC1CN(C(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)C1 1649820102 GBWVMVAQPAWXDV-UHFFFAOYSA-N 307.331 -0.459 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CCN(CCN2CCNC2=O)C1 1665540151 YBBNJFDLCRBHAK-IUODEOHRSA-N 310.398 -0.471 30 20 DBED C=C(C)CN1CCC[C@H](CNC(=O)C[C@@H]2NC(=O)NC2=O)C1 1752783577 KOLXWORYVLUJDW-NEPJUHHUSA-N 308.382 -0.011 30 20 DBED C#CCNC(=O)CN1CC[C@@H](CNC(=O)c2cnn(CC)c2)C1 1753121283 AOGUASUVNTUPHY-ZDUSSCGKSA-N 317.393 -0.296 30 20 DBED Cc1nc(O)[nH]c1C(=O)NCCN(CC(=O)NCC#N)C1CC1 1753156323 ZSDNLAFPJOKHBL-UHFFFAOYSA-N 320.353 -0.742 30 20 DBED C#CCCN1CC[C@H](N(CC)C(=O)C[C@H](NC(C)=O)C(N)=O)C1 1753458142 DDZODVOJSZBKMH-KBPBESRZSA-N 322.409 -0.687 30 20 DBED C#CCCNCC[C@H]1CCCN(C(=O)Cn2ncn(C)c2=O)C1 1753550519 SHABXHXEUPWMNL-CQSZACIVSA-N 319.409 -0.177 30 20 DBED C#CCCN[C@H](CNC(=O)CN1CCN(C)C(=O)C1)C(C)C 1753835719 UNTGJNQEDRCEEB-CQSZACIVSA-N 308.426 -0.486 30 20 DBED C[C@H](CNCCN1C(=O)NC(C)(C)C1=O)NC(=O)[C@H](C)C#N 1754220565 KJZSGSVAEMZTFX-NXEZZACHSA-N 309.370 -0.429 30 20 DBED C[C@H]1C[C@@H](NCC(=O)NCC#N)CCN1C(=O)c1cn[nH]c1 1754591081 PPAXROYEMYUJPE-JQWIXIFHSA-N 304.354 -0.368 30 20 DBED C#CCOCCC(=O)N1C[C@H](C)[C@H](CNCc2nc(O)n[nH]2)C1 1754815370 QVVRZDRQZPRJRZ-NWDGAFQWSA-N 321.381 -0.266 30 20 DBED Cc1cc(C(=O)N(CCO)CCNCC#N)c2cnn(C)c2n1 1754895409 XTKQLCKBJSNSJS-UHFFFAOYSA-N 316.365 -0.176 30 20 DBED COCC#CCNCC[C@H]1CCN(C(=O)[C@H]2CCN(C)C2=O)C1 1754928711 WSMWUNHZQTVSKD-GJZGRUSLSA-N 321.421 -0.057 30 20 DBED COCC#CCN1C[C@H]2[C@H](CNC(=O)c3nonc3C)[C@H]2C1 1755435146 AURLESBHNGUQIW-XYYAHUGASA-N 304.350 -0.065 30 20 DBED C=CCN1CC[C@@H](N[C@H](CO)CNC(=O)c2ocnc2C)C1=O 1755626606 JJSVZJZQHDXMFZ-NWDGAFQWSA-N 322.365 -0.550 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@H](C)N(C(=O)c2cnn(C)c2C)C1 1755671607 ZEWHLALYUFZXAU-AAEUAGOBSA-N 317.393 -0.329 30 20 DBED C=C(C)CCC(=O)NCC1[C@@H]2CN(C(=O)[C@@H]3CNC(=O)N3)C[C@@H]12 1756202587 ASEAIEGFGOTIMD-AVGNSLFASA-N 320.393 -0.155 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H](C)CN(C)C(=O)CCn1ccnn1 1756446470 IZADMTJRJFFDKD-QWHCGFSZSA-N 321.381 -0.330 30 20 DBED C=C[C@](C)(CC)C(=O)N[C@@H](CO)CNC(=O)c1ccc(O)nn1 1756506586 RIZDTMDUGKWLOQ-MEBBXXQBSA-N 322.365 -0.009 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](C)[C@@H](CNC(=O)C(N)=O)C1 1756808054 RNMZEXMFAJCHKI-NEPJUHHUSA-N 309.366 -0.888 30 20 DBED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](CC)NC)[C@H]2C1 1786971560 DBLNYCAXBDIBTE-XUXIUFHCSA-N 307.394 -0.403 30 20 DBED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncon1 1798354092 KCTWAZYRBYBDAL-PTEHBNRSSA-N 318.333 -0.314 30 20 DBED C=CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cncn1)C2 1800997794 IRQPDOAXTAUOAI-JJLQDPRZSA-N 319.365 -0.556 30 20 DBED N#Cc1ccccc1S(=O)(=O)NCC(=O)N1CCNCC1 37716263 OFEKGFARVZDKKO-UHFFFAOYSA-N 308.363 -0.732 30 20 DBED N#CCCNC(=O)Cn1cc(Br)c(=O)[nH]c1=O 70163117 RDGVGMKIJXBQSU-UHFFFAOYSA-N 301.100 -0.671 30 20 DBED C=CCNC(=O)CNC(=O)CNS(=O)(=O)c1ccccc1 75250607 HHHHFROPXBNANS-UHFFFAOYSA-N 311.363 -0.617 30 20 DBED CCN(CCC#N)C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 80100188 FWEWXEGRZNHTPP-UHFFFAOYSA-N 318.337 -0.804 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 88595412 WSSBTHUUMDIOJZ-GJZGRUSLSA-N 320.437 -0.247 30 20 DBED C[C@@H]1C(=O)NCCN1C(=O)CNC(=O)c1ccc(C#N)cc1 104892377 KNWBXJPKIHIRCX-SNVBAGLBSA-N 300.318 -0.365 30 20 DBED C=CCNC(=O)CNC(=O)C1=C(C)N(C)c2ncnn2[C@@H]1C 192578409 CDADVFIWUDBNGJ-SNVBAGLBSA-N 304.354 -0.019 30 20 DBED C=CC/N=C(/NCC(=O)N(C)C)N[C@@H]1CCc2ncnn2C1 262296593 MMOISZARSOJENI-LLVKDONJSA-N 305.386 -0.598 30 20 DBED CC[C@@H](C#N)NS(=O)(=O)c1cnc2c(c1)c(=O)nc(O)n2C 270130938 OWAXEHLAQWZFRB-ZETCQYMHSA-N 323.334 -0.385 30 20 DBED C=CCCOCCNC(=O)CN1C(=O)C(=O)N(CC=C)C1=O 270254713 PPLUOQXBZRQUPS-UHFFFAOYSA-N 309.322 -0.328 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCO[C@H]3CCC[C@H]32)C1=O 281188385 RYGGBKALSIARJU-MNOVXSKESA-N 321.333 -0.257 30 20 DBED COc1cc(CN2CCN3C(=O)C(=O)NC[C@@H]3C2)ccc1C#N 282352641 PIGPYWVXNPWBJD-CYBMUJFWSA-N 314.345 -0.291 30 20 DBED C[C@H]1CN(/C(O)=N/CCC(=O)N2CCOCC2)CC(=O)N1C 328734793 YRMXFKLOSQAEIK-NSHDSACASA-N 312.370 -0.688 30 20 DBED CC/N=C(/O)NC(=O)[C@H](C)N1CCC([C@@H](O)C(=O)OC)CC1 331280041 UAZPAJQWOBPWCO-GXSJLCMTSA-N 315.370 -0.329 30 20 DBED Cc1noc(C)c1CCNS(=O)(=O)N1CCO[C@H](C#N)C1 337065529 KHZPGGJGJHLDIN-LLVKDONJSA-N 314.367 -0.107 30 20 DBED COC[C@H]1CCCN(S(=O)(=O)N2CCO[C@H](C#N)C2)C1 337092286 MEBUDWYNAFBIOB-NWDGAFQWSA-N 303.384 -0.186 30 20 DBED CCOCCOC[C@@H](O)CNS(=O)(=O)N(C)C[C@H](C)C#N 337179434 LLYKALHDXOUWKX-NEPJUHHUSA-N 323.415 -0.674 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCc2nccn2C)C1=O 342967003 AUONXOBABJCQBY-LLVKDONJSA-N 319.365 -0.718 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@H](C)C[S@@](C)=O 345404812 ACUYKMADZOGBJC-ZERNOSRCSA-N 316.423 -0.033 30 20 DBED COC(=O)CCN1CCN(S(=O)(=O)CCCC#N)CC1 348102450 KSSHHBOSCNPXEQ-UHFFFAOYSA-N 303.384 -0.199 30 20 DBED C=CCNC(=O)NC(=O)CN1CCC2(CC1)CCN(C)C2=O 373172117 GQVNFFPAJPNIRH-UHFFFAOYSA-N 308.382 -0.058 30 20 DBED Cn1cc(S(=O)(=O)NCC(=O)N[C@@H]2CC[C@H](C#N)C2)cn1 424974712 FPBPXLXZPTZDSQ-VHSXEESVSA-N 311.367 -0.493 30 20 DBED COc1ccc(CNC(=O)Cn2cnc(C#N)n2)c(OC)n1 428088962 HAZBILALFYVUCX-UHFFFAOYSA-N 302.294 -0.122 30 20 DBED C#C[C@@H](C)N(C)S(=O)(=O)CCCS(=O)(=O)N(C)CC#N 491738189 WMFLMNUKFOOYSX-LLVKDONJSA-N 321.424 -0.555 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2cc(CC)[nH]n2)CC1 491777658 ZXNDCTCNSGUSHU-UHFFFAOYSA-N 303.366 -0.521 30 20 DBED COC(=O)N1CCN(S(=O)(=O)N(C)[C@H](C)CC#N)CC1 497049450 YCEGVSSFVFRLPK-SNVBAGLBSA-N 304.372 -0.151 30 20 DBED CO[C@@H]1CN(CC#CCN2C(=O)c3ccccc3C2=O)C[C@H]1O 528516666 FHYILGPQTSEOKC-HUUCEWRRSA-N 314.341 -0.023 30 20 DBED C[C@@H]1COCCN1CCNC(=O)C(=O)Nc1cccc(C#N)n1 566204085 GEJAOBRLODVMCE-LLVKDONJSA-N 317.349 -0.271 30 20 DBED COC(=O)c1ccc(N2CCC[C@H](S(N)(=O)=O)C2)c(C#N)n1 571776163 UAAQMPNWRYDFLN-VIFPVBQESA-N 324.362 -0.003 30 20 DBED C[C@@]1(C#N)CCN(C(=O)C(=O)N2CCC[C@H]3C(=O)NC[C@H]32)C1 595185808 VJNJESNPGXSHQD-HFAKWTLXSA-N 304.350 -0.514 30 20 DBED CC(C)O[C@@]1(CS(=O)(=O)NCC(=O)NCC#N)CCOC1 595337745 KGRBEYDVTAHPFT-LBPRGKRZSA-N 319.383 -0.870 30 20 DBED N#C[C@H]1CN(c2nc3ccc(S(N)(=O)=O)cc3[nH]2)CCO1 596116510 MJYATAADJIWDFN-QMMMGPOBSA-N 307.335 -0.061 30 20 DBED C=C[C@](C)(O)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)OC 597470205 MVAVQGPRICQZCK-HZMBPMFUSA-N 300.355 -0.257 30 20 DBED N#CCCN1CCN(C(=O)C(=O)N(CCO)C2CCC2)CC1 601474367 PBSKETMARULNLR-UHFFFAOYSA-N 308.382 -0.582 30 20 DBED C[C@H]1CCCN(C(=O)C(=O)N2CCN(CCC#N)CC2)[C@H]1CN 601585008 VHUYKQWEXJDGJE-KBPBESRZSA-N 321.425 -0.370 30 20 DBED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)NC[C@@H](O)CO 613163686 NGBQKJJPIKCSGX-LLVKDONJSA-N 316.321 -0.078 30 20 DBED C#CCCN1CCC(NC(=O)c2cn(C)c(=O)nc2O)CC1 743491325 FEQZHNGJGMJZRM-UHFFFAOYSA-N 304.350 -0.297 30 20 DBED C=C(CO)C(=O)NCCCN1CCN(c2ncccn2)CC1 791312687 RDELUKKUBGHTOG-UHFFFAOYSA-N 305.382 -0.347 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCCN(CC)C(=O)C1)[C@H]1CCCO1 809313836 YDWRHRBHTXEFLR-QWHCGFSZSA-N 321.377 -0.636 30 20 DBED N#Cc1cc(-c2nn[nH]n2)c(S[C@H]2CCNC2=O)nc1N 822818635 DSEYEOKUJVCGBS-ZETCQYMHSA-N 302.323 -0.304 30 20 DBED CN(CCCc1[nH]nc(N)c1C#N)CC(=O)NCCC(=O)O 830777072 MOLMQJMHIJNIIC-UHFFFAOYSA-N 308.342 -0.681 30 20 DBED N#CCN(CCOc1ccc(S(N)(=O)=O)cc1)CC(=O)O 833066972 MQYKFQFYHJWBBH-UHFFFAOYSA-N 313.335 -0.377 30 20 DBED C=CCS(=O)(=O)CCN/C(=N/C)NCCN1CCOCC1 849017579 SXAXWADFVMHDDJ-UHFFFAOYSA-N 318.443 -0.916 30 20 DBED C#CCNC(=O)CN1CCN(CCN2C[C@H](C)O[C@@H](C)C2)CC1 851750736 JECQQJFPYVTOBM-HOTGVXAUSA-N 322.453 -0.537 30 20 DBED C#CC[C@@H](CCOC)NC(=O)NCCN1CCCS1(=O)=O 858164710 DTDQKTMOMICUGI-LBPRGKRZSA-N 317.411 -0.251 30 20 DBED C#CC1(O)CN(C(=O)c2c[nH]nc2I)C1 890527188 ODHANGOVGONDMB-UHFFFAOYSA-N 317.086 -0.166 30 20 DBED CN(C)CC#CCNC(=O)CS[C@H]1CCS(=O)(=O)C1 913515871 QRSYQCKSSJHSOH-NSHDSACASA-N 304.437 -0.412 30 20 DBED CN1CC[C@@H](C(=O)N(C)[C@@H]2CCN(C(=O)C#CC3CC3)C2)C1=O 937349776 LHFGTYKRUYHEOF-ZIAGYGMSSA-N 317.389 -0.063 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@H](N(C)C(=O)C(N)=O)C2)nc1 938967021 NUKQJCBHBAUQNE-NSHDSACASA-N 300.318 -0.779 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](N(C)C(=O)c2c[nH]c(C(N)=O)c2)C1 939406027 KGFLDDXEQDKHEB-MWLCHTKSSA-N 317.349 -0.054 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)C[C@H]1C 947930725 UQGVLRBFHISAPG-MNOVXSKESA-N 314.349 -0.367 30 20 DBED C#Cc1cncc(C(=O)NC[C@@H]2CCN2C(=O)Cc2nc[nH]n2)c1 952014194 HHHWOVDTBMFAKO-ZDUSSCGKSA-N 324.344 -0.246 30 20 DBED CN(C(=O)[C@@H]1CCCNC1=O)C1CN(C(=O)C#CC2CC2)C1 954521074 XVLYUKRDBXCAKV-CYBMUJFWSA-N 303.362 -0.405 30 20 DBED C[C@H](NC(=O)c1cc(C#N)c[nH]1)C1CN(Cc2nc(O)n[nH]2)C1 969463553 PNENYSDSJZNVKP-QMMMGPOBSA-N 315.337 -0.040 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)C(C)(C)C(N)=O)[C@@H]2C1 972657137 RHPBEKHQVOFMGX-GMTAPVOTSA-N 306.366 -0.283 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)CCn3cnnn3)[C@@H]2C1 974901435 BBEKIJMFMYUAEE-QJPTWQEYSA-N 317.353 -0.718 30 20 DBED Cn1nnc2c1C[C@@H](C(=O)N1CCCN(CC#N)CC1)CC2 981828413 NUXLEEAPXPJEQP-LBPRGKRZSA-N 302.382 -0.022 30 20 DBED C#CCN(C)C1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)CC1 985753336 KGUXXQPAPMKQMX-UHFFFAOYSA-N 314.349 -0.413 30 20 DBED C=CCn1cc(C(=O)N[C@@]23CCC[C@@H]2N(CC(N)=O)CC3)nn1 992307270 QXZDUIHAISWGMD-SWLSCSKDSA-N 318.381 -0.324 30 20 DBED CC(=O)N1CCC[C@@H](C(=O)NC2CN(C(=O)[C@H](C)C#N)C2)C1 995428632 UKCLCQYIBCLHOM-ZYHUDNBSSA-N 306.366 -0.268 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)c3nnn(C)c3C)C2)cn1 997090406 PCULBLRLJFTRJM-UHFFFAOYSA-N 324.344 -0.246 30 20 DBED N#Cc1ccc(C(=O)N2CC(NC(=O)c3c[nH]c(=O)cn3)C2)[nH]1 998575694 YYTHAKIOCPDWJJ-UHFFFAOYSA-N 312.289 -0.776 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC(NC(=O)c2n[nH]cc2F)C1 999176906 PGODUPQGDSPPCV-LBPRGKRZSA-N 319.340 -0.413 30 20 DBED CNC(=O)CN1CC=C(CNC(=O)c2c[nH]c(C#N)c2)CC1 1000587894 NHYHWJYEGHBUMH-UHFFFAOYSA-N 301.350 -0.006 30 20 DBED NC(=O)C(=O)N1CCC[C@H]([C@@H]2CCN(C(=O)C#CC3CC3)C2)C1 1003175933 UBTWRALTKBKKTR-UONOGXRCSA-N 317.389 -0.028 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCCN([C@@H](C)C(N)=O)C2)nn1 1008792678 GPXBFULSGUQHJU-QWRGUYRKSA-N 306.370 -0.468 30 20 DBED N#CCN1CC[C@H](NC(=O)[C@@H]2COCCN2CC(F)F)C1 1015395206 BYCZKEXSUPQNDD-QWRGUYRKSA-N 302.325 -0.334 30 20 DBED Cn1cnc(C(=O)N[C@@H]2CC23CCN(CC#N)CC3)cc1=O 1016670319 QCFOFQAMKVHSCC-GFCCVEGCSA-N 301.350 -0.112 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(CN(C(=O)C[C@H]3CCC(=O)N3)C2)C1 1019183823 USJZWNLPBJRAKL-NWDGAFQWSA-N 318.377 -0.124 30 20 DBED C[C@H](NC(=O)c1cnc(O)n(C)c1=O)[C@H]1CCCN(CC#N)C1 1025505411 HIJUOCKKENZCIB-QWRGUYRKSA-N 319.365 -0.160 30 20 DBED CC(C)n1ccc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2O)n1 1025748475 GICOICQSSBLDFW-RAIGVLPGSA-N 319.365 -0.075 30 20 DBED COCCN1C[C@@H](C(=O)N2CCC[C@H](N(C)CC#N)C2)CC1=O 1027431926 ORNOYVVTSUUVFV-KBPBESRZSA-N 322.409 -0.072 30 20 DBED C#CCN1CC[C@H](CNC(=O)c2coc(S(N)(=O)=O)c2)C1 1028636982 KEMUZUWBTHIMRP-SNVBAGLBSA-N 311.363 -0.388 30 20 DBED C=CCCn1cc(C(=O)NC2CN([C@@H]3CCNC3=O)C2)nn1 1031080170 ZICYKJFQVRNTHT-GFCCVEGCSA-N 304.354 -0.843 30 20 DBED CC#CCN1CC[C@@H](N(C)C(=O)Cn2ccc(=O)n(C)c2=O)C1 1033125228 BLWMISXZNSCPDO-CYBMUJFWSA-N 318.377 -0.897 30 20 DBED C=C(C)CN1CC[C@@H](N(C)C(=O)Cn2nc(C)n(C)c2=O)C1 1033624724 CEMMVWUUCCUEDU-CYBMUJFWSA-N 307.398 -0.001 30 20 DBED C#CCCN1CC[C@@H](N(CC)C(=O)C2CC(=O)NC(=O)C2)C1 1033985659 FLVLUKNKIVWLAD-CYBMUJFWSA-N 305.378 -0.015 30 20 DBED C#CCN1CCCC[C@@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)C1 1034429129 QZQAZDPQUMWEOY-LLVKDONJSA-N 320.349 -0.989 30 20 DBED N#CCN1CC2(CCN(C(=O)C3CC(=O)NC(=O)C3)CC2)C1 1035820640 YRBIYCVQKFOTIO-UHFFFAOYSA-N 304.350 -0.513 30 20 DBED C=CCn1cc(C(=O)N[C@H]2[C@H]3C[C@H]2N(CC(=O)NC)C3)nn1 1037613395 JXACIUCFWXWTSA-NDMJEZRESA-N 304.354 -0.987 30 20 DBED CC#CCN1CC[C@H]1CNC(=O)c1cn(CC(=O)N(C)C)nn1 1039052228 KLELDDLISNNSJC-LBPRGKRZSA-N 318.381 -0.806 30 20 DBED O=C(C#CC1CC1)NC[C@]1(O)CCN(C(=O)c2cnco2)C1 1039688685 NUQKOBVDUARFDB-OAHLLOKOSA-N 303.318 -0.219 30 20 DBED C=CCn1cc(C(=O)NC[C@@]2(O)CCN(C(=O)CCC)C2)nn1 1039755308 SEJZEFCWCGMZNJ-HNNXBMFYSA-N 321.381 -0.043 30 20 DBED C[C@@H]1CCN(C(=O)C(N)=O)C[C@H]1CNc1cncc(C#N)n1 1039887441 HZSPZYHMFLRQJP-NXEZZACHSA-N 302.338 -0.270 30 20 DBED COCC(=O)N1CC[C@@H]2OCCN(c3nccnc3C#N)[C@@H]2C1 1039989244 DZNYDJWUFVYQKX-OLZOCXBDSA-N 317.349 -0.199 30 20 DBED N#CCSCC(=O)N1CC[C@@](O)(CNC(=O)c2cnco2)C1 1040385611 APFKHZQERXVMNQ-CYBMUJFWSA-N 324.362 -0.375 30 20 DBED C#CCN1CCC[C@@]2(CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)C1 1040392843 WVDHWQFCAIAEHR-JJRVBVJISA-N 319.405 -0.033 30 20 DBED Cc1ccn(CC(=O)NC[C@]2(O)CCN(C(=O)[C@@H](C)C#N)C2)n1 1040940024 DKRPWRRCPAKTNG-XHDPSFHLSA-N 319.365 -0.569 30 20 DBED CCOCC(=O)NCC1(O)CN(C(=O)c2ccc(C#N)[nH]2)C1 1041304512 XZVVDFXPZBYMHQ-UHFFFAOYSA-N 306.322 -0.774 30 20 DBED CC(=O)N1CCO[C@H](C(=O)N2CC[C@@]3(CCN(CC#N)C3)C2)C1 1041812504 ZQVWKDKIAHNSSS-GOEBONIOSA-N 320.393 -0.318 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)[C@H](CC)NC(C)=O)C1 1041963726 YKQPGCQLVNMIDN-LBPRGKRZSA-N 311.382 -0.443 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)[C@H]2CCCNC2=O)C1 1042801790 UGKPLHTVSKXGNZ-LBPRGKRZSA-N 321.377 -0.994 30 20 DBED C=CCCOCC(=O)N1CC(O)(CNC(=O)[C@H]2CC2(F)F)C1 1042919331 KQUMXTSDKFIXQE-SNVBAGLBSA-N 318.320 -0.076 30 20 DBED C#CCCN1CC(N(C)C(=O)CN2CCCCS2(=O)=O)C1 1043362573 UNLBIQRJDQKPRU-UHFFFAOYSA-N 313.423 -0.422 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)C2CC(OC)C2)C1 1043510848 IVCPKJZWNSYJIC-PNESKVBLSA-N 324.377 -0.861 30 20 DBED C=CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)[C@H]2CC2(F)F)C1 1043569830 DFAGMULWBLBZMN-NXEZZACHSA-N 318.320 -0.078 30 20 DBED N#Cc1cnccc1N1C[C@H](O)[C@H](NC(=O)c2ncccn2)C1 1044129443 AGJJYLHSRCVXLO-YPMHNXCESA-N 310.317 -0.277 30 20 DBED Cn1nnnc1CNC[C@@H]1CCCN1C(=O)c1c[nH]c(C#N)c1 1045002433 NAMFTZBGGRXWSF-LBPRGKRZSA-N 314.353 -0.196 30 20 DBED Cn1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)N3CC#N)n(C)c1=O 1045897817 ZCOWVAYUDURGCR-NEPJUHHUSA-N 303.366 -0.074 30 20 DBED C=C1CC(C)(C(=O)NCC2(O)CN(C(=O)c3cn(C)nn3)C2)C1 1046307663 VMERCNHRFZBEED-UHFFFAOYSA-N 319.365 -0.526 30 20 DBED N#Cc1nc(=N[C@H]2C[C@@H](CNC(=O)c3nccnc3N)C2)cc[nH]1 1046313031 IDIIPAUHEGZZPY-AOOOYVTPSA-N 324.348 -0.237 30 20 DBED CCn1cc(CC(=O)NCC2(O)CN(C(=O)[C@@H](C)C#N)C2)cn1 1046920437 DDRMYIBKOITFOL-NSHDSACASA-N 319.365 -0.705 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2cc3n(n2)CCO3)C1 1047411298 VXFHURLLPKMQPZ-STQMWFEESA-N 304.350 -0.584 30 20 DBED C#CCN1C[C@@H]2CCCN(C(=O)Cn3c(O)nnc3O)[C@@H]2C1 1050191575 BMICDSCCRZRYNY-WDEREUQCSA-N 305.338 -0.755 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H]1CN(C(=O)COCC)C[C@H]1C 1051885297 GFFDLFHVKRVTCO-OLZOCXBDSA-N 323.393 -0.627 30 20 DBED C[C@H](C(=O)N1CC[C@@H](N2CCN(CC#N)CC2)C1)n1cncn1 1052017160 DROUQUDRXJIWDI-ZIAGYGMSSA-N 317.397 -0.419 30 20 DBED CC[C@@H](C(=O)N1CCOC2(CN(CC#N)C2)C1)N1CCCC1=O 1053536013 GDCWXIAVDXAUOK-ZDUSSCGKSA-N 320.393 -0.176 30 20 DBED C#CCN1CC2(CC[C@@H](CNC(=O)c3cnc(O)n3C)O2)C1 1053642789 KWHNRRYYLQHMMB-NSHDSACASA-N 304.350 -0.278 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)c3ccnc(OC)n3)CO2)C1 1053867731 QUHJLAGZWUYLGX-LLVKDONJSA-N 302.334 -0.309 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)Cn3nnnc3C(C)C)CO2)C1 1053949519 JFLKSYALMNIHBA-GFCCVEGCSA-N 318.381 -0.611 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)c3nc4ncccn4n3)CO2)C1 1053961227 QSTOWBIWCZTZFB-SNVBAGLBSA-N 313.321 -0.779 30 20 DBED C=C(Cl)CN1CC2(C[C@H](NC(=O)Cn3cncn3)CO2)C1 1054000880 MCRQZAVBQKVBTB-NSHDSACASA-N 311.773 -0.010 30 20 DBED C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1NCc1nnn(C)n1 1054585820 BVGYJZGNNVRHLS-SKDRFNHKSA-N 314.353 -0.340 30 20 DBED CC(=O)N1CC(C(=O)N2CCN(c3nccnc3C#N)CC2)C1 1055782916 FLXIYXFXNWACHE-UHFFFAOYSA-N 314.349 -0.525 30 20 DBED N#Cc1ccc(N2C[C@@H]3C(NC(=O)Cc4cncnc4)[C@H]3C2)nn1 1056191566 RBKBBSAUYBQNDY-STQMWFEESA-N 321.344 -0.068 30 20 DBED C=CCn1cc(C(=O)NCCN(CCO)C(=O)CC2CC2)nn1 1056774364 QJHAUDYCCMSBDB-UHFFFAOYSA-N 321.381 -0.185 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCN(CCO)C(=O)[C@@H]1CCOC1 1057145395 AUTBUMMXOIVUIU-IUODEOHRSA-N 314.382 -0.713 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)CCn1cncn1 1057170185 ZWCSHMKKDQFVGQ-UHFFFAOYSA-N 309.370 -0.429 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)C1(CF)CC1 1057196728 UGOBPZFQCPTNTR-UHFFFAOYSA-N 302.346 -0.124 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)Cc1ccn(C)n1 1057549077 SOOBQYFGIFTJOP-UHFFFAOYSA-N 320.393 -0.297 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)N(CCO)CCNC(=O)CC 1057577165 XEPWLEVEXOKRRA-ZDUSSCGKSA-N 313.398 -0.196 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)[C@@H]1CCN(C)C1 1057631577 ABKRRATXYJTENN-CQSZACIVSA-N 309.410 -0.465 30 20 DBED C=CC(C)(C)CC(=O)N(CCO)CCNC(=O)CNC(N)=O 1057696057 HAUSUCOXNWCSKB-UHFFFAOYSA-N 314.386 -0.806 30 20 DBED N#Cc1ccc(N2CCC(NC(=O)Cn3ncnn3)CC2)nn1 1057903095 RFFOCIIOBMHWAC-UHFFFAOYSA-N 313.325 -0.880 30 20 DBED C#CCCCCCC(=O)NCCN(CCO)C(=O)c1cnn[nH]1 1058060342 VFHRIOULTDUVKI-UHFFFAOYSA-N 321.381 -0.061 30 20 DBED Cc1nsc(N2CC[C@H](NC(=O)[C@@H]3CNC(=O)N3)C2)c1C#N 1058531464 QAMYUGPKVIRULA-WPRPVWTQSA-N 320.378 -0.301 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)Cc1cncn1C 1058655038 OPXFRJDWODPSJZ-LLVKDONJSA-N 307.354 -0.941 30 20 DBED N#Cc1nc(=N[C@H]2CCN(C(=O)[C@@H]3CCNC(=O)C3)C2)cc[nH]1 1058872450 PZYAEKLMLYHKJB-MNOVXSKESA-N 314.349 -0.691 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@@H]1CCN(C(=O)CC(N)=O)C1 1059380317 BDMIKBSNKXPSAT-UPJWGTAASA-N 323.393 -0.192 30 20 DBED C=CCOCC(=O)NCC[C@H]1CCN(C(=O)c2cnn[nH]2)C1 1059901492 JHMIOHMTNVRIFB-NSHDSACASA-N 307.354 -0.024 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)COCC1CC1 1061342496 AZQMEHOITAFAGK-WCQYABFASA-N 309.366 -0.084 30 20 DBED C=CCOCC(=O)NC[C@@H]1COCCN1C(=O)c1cnccn1 1061421640 RDJUVBFAJHGNLK-GFCCVEGCSA-N 320.349 -0.364 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)CCCC(N)=O 1061683420 DXLLIPMRBGXFAJ-QWRGUYRKSA-N 310.354 -0.855 30 20 DBED C=CCCC(=O)N1CCOC[C@@H]1CNC(=O)C(=O)NCC1CC1 1061824584 RIXYVHWNXPLVES-ZDUSSCGKSA-N 323.393 -0.178 30 20 DBED Cc1cc(C(=O)N2CCOC[C@H]2CNC(=O)[C@H](C)C#N)ncn1 1061845994 AGJFORVWKHJQJW-ZYHUDNBSSA-N 317.349 -0.098 30 20 DBED CN(C(=O)[C@@H]1CCC(=O)N1)[C@H]1CCN(c2cnc(C#N)cn2)C1 1062960481 WAFDHLHRPFVSDW-RYUDHWBXSA-N 314.349 -0.336 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)COCCN(C)C)CCC1 1064306519 KGKWKMVBOHAUQU-GFCCVEGCSA-N 310.398 -0.121 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CN(C(=O)c2ccnc(O)c2)CCO1 1065040496 LNNFXVGBTKYNFF-PWSUYJOCSA-N 318.333 -0.096 30 20 DBED Cc1cc(C(=O)N2CCO[C@H](CNC(=O)[C@@H](C)C#N)C2)ncn1 1065050776 ILDZDDBVADONCU-CMPLNLGQSA-N 317.349 -0.098 30 20 DBED CC(C)C#CC(=O)N1CCO[C@H](CNC(=O)c2nc[nH]n2)C1 1065128756 IZXQHYZPZOZJJS-LLVKDONJSA-N 305.338 -0.579 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)[C@@H]2CCCNC2=O)CCO1 1065263097 RPGNDGGNKXGVQO-QWHCGFSZSA-N 323.393 -0.178 30 20 DBED Cn1ncc(C(=O)N[C@@]2(C)CCN(c3cncc(C#N)n3)C2)n1 1065264145 WGBQEPFHSHWRAA-AWEZNQCLSA-N 312.337 -0.124 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)Cc2cc[nH]n2)C1 1065556963 MBLMEOWXXMSOIF-PWSUYJOCSA-N 305.338 -0.545 30 20 DBED C=C[C@@H](C)[C@@H](C)C(=O)N1CC2(CN(C(=O)C(N)=O)CCO2)C1 1068448805 UBLNSEMRETXYNL-GHMZBOCLSA-N 309.366 -0.630 30 20 DBED C#CCN1CCn2ncc(CNC(=O)[C@@H]3CC[C@H]3C(N)=O)c2C1 1069869616 VJCXMSCIOUXYCC-CHWSQXEVSA-N 315.377 -0.540 30 20 DBED Cc1cc(C(=O)N[C@@H]2CN(CC#N)C[C@@H]2n2ccnn2)no1 1069891566 FTIOBQMSICJLSN-NEPJUHHUSA-N 301.310 -0.247 30 20 DBED CC#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2cnn(C)n2)C1 1070052855 PKZUAICRDFZSKP-OLZOCXBDSA-N 314.353 -0.915 30 20 DBED C#CCCCCC(=O)N1CCC[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1 1070638685 XFOZWTCDBNKEDH-CHWSQXEVSA-N 320.393 -0.031 30 20 DBED N#CCN1C[C@H]2C[C@@H]3CN(C(=O)[C@H]4COCCO4)C[C@@]3(C1)O2 1070766984 NVAXCYGBIWHJJR-RGCMKSIDSA-N 307.350 -0.773 30 20 DBED Cn1cnc(C(=O)N2C[C@@H]3C[C@@H]4CN(CC#N)C[C@]3(C2)O4)n1 1070796800 OJRBNKVLXQCAPS-MISXGVKJSA-N 302.338 -0.746 30 20 DBED C=CCn1cc(C(=O)N2C[C@H](C)[C@H](NC(=O)COC)C2)nn1 1072124886 GSKIWOMJYGCKRS-WDEREUQCSA-N 307.354 -0.313 30 20 DBED C#CCCCC(=O)N1CC[C@@H](NC(=O)CNC(N)=O)[C@H](C)C1 1073704542 JFUGATCWQBVFSU-VXGBXAGGSA-N 308.382 -0.189 30 20 DBED N#CCN1CCO[C@H]2CCN(C(=O)c3ccc(O)nn3)C[C@H]21 1074160269 QRNGYOGFXXKIGG-NEPJUHHUSA-N 303.322 -0.379 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(O)(CNC(=O)[C@@H]2CCOC2)CC1 1074704796 IMTUDGRNGKDCEH-NWDGAFQWSA-N 309.366 -0.348 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(C(=O)c2nnn(C)n2)[C@@H](C)C1 1074882463 WTCNEDMRGPXEKF-WDEREUQCSA-N 322.369 -0.478 30 20 DBED C[C@@H](C(=O)N(C)C)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 1076905844 CIMLEBTXDZRCHF-ZWKOPEQDSA-N 319.365 -0.862 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)c2nn3c(c2C)OCCC3)C1 1077098193 SZENTZXNPQGYDX-CHWSQXEVSA-N 318.377 -0.228 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CN([C@@H](C)COC)C[C@H]2O)nn1 1077801133 DXYZUKFVLVMVCP-DMDPSCGWSA-N 309.370 -0.726 30 20 DBED C[C@@H](CCNC(=O)CCn1cnnn1)NC(=O)C#CC1CC1 1078024572 WWOPKVSDMRPMDJ-NSHDSACASA-N 304.354 -0.512 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN([C@H](CC)C(N)=O)C[C@H]2O)cn1 1078033571 RDQOPAQWPNKFIY-MGPQQGTHSA-N 316.361 -0.898 30 20 DBED C=C(Cl)CN1C[C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)[C@H](C)C1 1080959750 PLUALHMRVWLXBN-FBIMIBRVSA-N 321.830 -0.133 30 20 DBED C=CCOCC(=O)N1C[C@H](CNC(=O)c2cnn(C)c2)[C@@H](O)C1 1081247342 BAVNBCOHPIQQGP-AAEUAGOBSA-N 322.365 -0.828 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cocn2)C1 1081341769 UNSQGTVKGIIBRN-PWSUYJOCSA-N 309.322 -0.574 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2coc(C)n2)C[C@H]1O 1081346347 HFSNYQUIUDGZFK-DGCLKSJQSA-N 323.349 -0.265 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)Cc2cc[nH]n2)C[C@H]1O 1081347720 ZKVKKDFOJLFTOX-WCQYABFASA-N 322.365 -0.910 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(C(=O)c2cocn2)C[C@@H]1O 1081471982 ULKGJKYTBUORNP-AAEUAGOBSA-N 303.318 -0.363 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2ccnnc2)C1 1081797105 HGKQFPKWFQZVFF-CHWSQXEVSA-N 304.350 -0.008 30 20 DBED CC#CCN1C[C@@H](NC(=O)[C@@]2(C)CCC(=O)NC2)[C@H](OC)C1 1082051268 IETDKVXDBXIWLR-IOASZLSFSA-N 307.394 -0.259 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CC(=O)N(C)C1 1083098222 KLXMGPDTOMGUFQ-HZSPNIEDSA-N 305.378 -0.600 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2cncc(-n3ccnn3)c2)C1 1083668523 UHANYZDHAFEHOB-KGLIPLIRSA-N 312.333 -0.930 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)[C@H]2COCCN2CCCC)C1 1083670505 CQXTYANGRZFOGB-KFWWJZLASA-N 311.426 -0.165 30 20 DBED N#CCN[C@H]1C[C@H](CNC(=O)[C@@]23C[C@H]4C[C@@H](C(=O)N2)[C@H]3C4)C1 1086410939 MGYJVOUQNLQLIR-NTSRYIDTSA-N 302.378 -0.091 30 20 DBED N#CCN1C[C@H]2CC[C@H]1[C@@H]1CN(C(=O)Cn3cnnn3)C[C@H]21 1087336330 ZWHVDXYTLCZDGV-LPWJVIDDSA-N 301.354 -0.635 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)[C@H]1C 1088896155 QZYUTVYVXVNLNG-YPMHNXCESA-N 318.377 -0.700 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)C2CS(=O)(=O)C2)[C@@H](O)C1 1090292689 PEOSFIHBESGUBC-RYUDHWBXSA-N 302.396 -0.842 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2cnc(C)nc2OC)[C@H](O)C1 1090311647 WJESFNWLOIVFAE-ZIAGYGMSSA-N 318.377 -0.018 30 20 DBED N#CCN1CC[C@H](NC(=O)Cc2cnn3c2CCCC3)[C@@H](O)C1 1090336763 KYJHFYQLAKGZKV-ZFWWWQNUSA-N 317.393 -0.163 30 20 DBED C=CCCN1CC[C@@H](NC(=O)c2cn(C)c(=O)cn2)[C@@H](O)C1 1090446346 QXTUZNUPOLCMKT-YPMHNXCESA-N 306.366 -0.479 30 20 DBED N#Cc1ccc(F)c(CN2CC[C@@H](NC(=O)C(N)=O)[C@H](O)C2)c1 1090535996 YSFJOWAYPZWKIX-CHWSQXEVSA-N 320.324 -0.766 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1C 1090689478 PKYXVTLVPGUYRH-MWLCHTKSSA-N 302.338 -0.575 30 20 DBED COc1ccc([C@@H]2CN(C(=O)CC(N)=O)C[C@H]2NCC#N)cc1 1090866719 MDWQAKJFUHLYHA-UONOGXRCSA-N 316.361 -0.022 30 20 DBED CO[C@H](C)CC(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@@H]1O 1091073300 OQTLFZLQZYDIHM-JLLWLGSASA-N 305.338 -0.561 30 20 DBED CC[C@@H](C)OCC(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1091091214 ZQKFWPOFAXSXFC-RTXFEEFZSA-N 319.365 -0.171 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CN(c2snc(C)c2C#N)C[C@@H]1O 1091096595 VFLABKBTTBPTHG-ZJUUUORDSA-N 323.378 -0.875 30 20 DBED N#Cc1cncc(N[C@H]2C[C@@H](CNC(=O)Cn3ncnn3)C2)n1 1091371550 DLAZZYNBTKMUHY-AOOOYVTPSA-N 313.325 -0.658 30 20 DBED CCS(=O)(=O)CC(=O)N1CCN(c2cncc(C#N)n2)CC1 1093158737 LDOKHMMBYJTMRV-UHFFFAOYSA-N 323.378 -0.568 30 20 DBED Cn1cc(C(N)=O)cc1C(=O)NCCN=c1cc[nH]c(C#N)n1 1094250873 MYFXAOBIBXZDOC-UHFFFAOYSA-N 313.321 -0.951 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)Cc3cc(C)[nH]n3)CC2=O)C1 1094720518 OKBZGTVXZXUXNW-CYBMUJFWSA-N 315.377 -0.705 30 20 DBED CCN(CCCNC(=O)[C@H]1C[C@H]1C(N)=O)c1ccnc(C#N)n1 1095971333 FELIQXJWIJUSRW-MNOVXSKESA-N 316.365 -0.198 30 20 DBED N#Cc1ccc(N[C@H](CNC(=O)Cn2nccn2)C2CC2)nn1 1096735917 AAWSGHYVGPWILX-GFCCVEGCSA-N 312.337 -0.053 30 20 DBED N#Cc1cncc(N[C@H](CNC(=O)[C@@H]2CCNC2=O)C2CC2)n1 1096783802 OFWYJXSSQQDOSP-VXGBXAGGSA-N 314.349 -0.209 30 20 DBED CCC(=O)N(C)CC(=O)N1CCN(c2nccnc2C#N)CC1 1096909223 PJQYOQJOEYQJMM-UHFFFAOYSA-N 316.365 -0.135 30 20 DBED C[C@H](CNC(=O)[C@@]1(C)CNC(=O)C1)N=c1cc[nH]cc1C#N 1098153200 MLFGOYIQJGXWGI-MEBBXXQBSA-N 301.350 -0.182 30 20 DBED C[C@H](CNC(=O)[C@@H]1CCN(C)C1=O)Nc1cnc(C#N)cn1 1098193440 DDKFASFYVXTXQO-KOLCDFICSA-N 302.338 -0.257 30 20 DBED N#CCN(CCO)C1CCN(C(=O)CCn2ccnn2)CC1 1098356709 PPFFUBJFQVCYDR-UHFFFAOYSA-N 306.370 -0.523 30 20 DBED C=CCNCc1cn([C@H]2CCN(C(=O)CC(=O)N(C)C)C2)nn1 1098744889 DDTPHYCDZZYRFF-ZDUSSCGKSA-N 320.397 -0.195 30 20 DBED C[C@@H](CCNC(=O)[C@@H]1CCC(=O)N1)Nc1cnc(C#N)cn1 1099362164 RZYJLHWESBOCLT-ONGXEEELSA-N 302.338 -0.066 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)c2cscn2)[C@H](O)C1 1099716614 YDYKTDOUVDYBOL-ZYHUDNBSSA-N 324.406 -0.390 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)Cc2ccon2)[C@H](O)C1 1099755868 SUOPBRRCIGQACP-CHWSQXEVSA-N 322.365 -0.929 30 20 DBED C=CCCN1CC[C@H](NC(=O)CNC(=O)N2CCCC2)[C@@H](O)C1 1099833224 SPZCATHBBMUCTM-KBPBESRZSA-N 324.425 -0.081 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)CCc2cnn[nH]2)[C@@H](O)C1 1100011583 RNTBWHSSHJTKEW-KBPBESRZSA-N 323.397 -0.509 30 20 DBED CC1(CCC(=O)N[C@@H]2CCN(CC(=O)NCC#N)C[C@H]2O)CC1 1100060833 YUNVPNSYBMFLJB-CHWSQXEVSA-N 322.409 -0.242 30 20 DBED C=CCN1CC[C@H](NC(=O)CNC(=O)c2ccco2)[C@@H](O)C1 1100096565 JHJSZMZOXQGTHY-RYUDHWBXSA-N 307.350 -0.253 30 20 DBED C=CCNC(=O)CNC1CC(CNC(=O)Cc2ccnn2C)C1 1100287477 SSVPJOCZTVLWIK-UHFFFAOYSA-N 319.409 -0.251 30 20 DBED CNC(=O)NCC(=O)NC[C@H]1CCCN1c1ncccc1C#N 1100915108 KTBSPBVYNDZWHJ-GFCCVEGCSA-N 316.365 -0.033 30 20 DBED CNC(=O)NC(C)(C)C(=O)N(C)CCN=c1cc[nH]cc1C#N 1101644691 RBDBQUPBMSAAFE-UHFFFAOYSA-N 318.381 -0.047 30 20 DBED CC(=O)N(C)CC(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(C#N)n1 1102537808 XZJATNDSHWNJLD-STQMWFEESA-N 314.349 -0.384 30 20 DBED CC[C@@H](CNC(=O)[C@H]1CCC(=O)N1)Nc1nccnc1C#N 1102991892 DEJYKWOUDRODAO-VHSXEESVSA-N 302.338 -0.066 30 20 DBED CC[C@@H](CNC(=O)[C@H]1CNC(=O)N1)N=c1cc[nH]cc1C#N 1103277689 NJELTUVXZYTGTQ-CMPLNLGQSA-N 302.338 -0.637 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)C1=COCCO1 1104475591 OVFZEMLCBFPOAS-JTQLQIEISA-N 303.322 -0.083 30 20 DBED Cc1cc(=NC[C@H](O)CNC(=O)c2ccon2)c(C#N)c[nH]1 1105726174 ZVJQFDGIZQHNLL-NSHDSACASA-N 301.306 -0.126 30 20 DBED Cc1cc(=NC[C@@H](O)CNC(=O)C2=CCOCC2)c(C#N)c[nH]1 1105799188 WZTMVLBXHVRMNR-CQSZACIVSA-N 316.361 -0.081 30 20 DBED N#Cc1cnc(NC[C@@H](O)CNC(=O)Cc2ccc[nH]2)cn1 1105863592 NNADLPRSLZCQCC-GFCCVEGCSA-N 300.322 -0.192 30 20 DBED COC[C@H](C)CC(=O)NC[C@H](O)CNc1ccc(C#N)nn1 1105940785 JMOCBFDYYOCAKZ-ZYHUDNBSSA-N 307.354 -0.090 30 20 DBED CC[C@H](NC(C)=O)C(=O)NC[C@@H](O)CNc1ccc(C#N)nc1 1106123052 IZSLGSRRVDESBG-KBPBESRZSA-N 319.365 -0.243 30 20 DBED CCc1nc(C#N)cc(NC[C@@H](O)CNC(=O)c2cnn[nH]2)n1 1106171900 MGPDYHQXILSXJJ-SECBINFHSA-N 316.325 -0.768 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@H]1C 1106346911 ZJJNRKZFGDUSCZ-CHWSQXEVSA-N 305.382 -0.711 30 20 DBED C[C@H](C(=O)NC/C=C\CN=c1cc[nH]c(C#N)n1)n1cncn1 1107162801 UYKXSTCWECNTCB-OTDNITJGSA-N 312.337 -0.293 30 20 DBED C[C@@H](CC(N)=O)C(=O)NC/C=C/CN=c1cc[nH]cc1C#N 1107450982 HMJDDSKHOVHRAE-VUDBWIFFSA-N 301.350 -0.029 30 20 DBED C[C@H](C#N)C(=O)NC[C@]1(C)CN(CCn2cncn2)CCO1 1107821198 KXEBSRYOBVWTBP-TZMCWYRMSA-N 306.370 -0.355 30 20 DBED CCOCC(=O)N[C@@H]1CC(=O)N(C2CN(CC#CCOC)C2)C1 1108503813 JAAPDSPXPUDQNY-CYBMUJFWSA-N 323.393 -0.926 30 20 DBED C[C@@H](CNc1cnc(C#N)cn1)NC(=O)C[C@@H](C)NC(N)=O 1108528637 OYKWPSLEGXVPMC-BDAKNGLRSA-N 305.342 -0.288 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)CCCCN(C)C)CC2=O)C1 1108587774 WSFTXAOLBMRSBQ-CQSZACIVSA-N 320.437 -0.247 30 20 DBED C[C@@H](CN(C)c1cnc(C#N)cn1)NC(=O)CCn1ccnn1 1108917411 CSOAYXWFLQCLOI-NSHDSACASA-N 314.353 -0.029 30 20 DBED Cc1cc(C#N)nc(N(C)C[C@@H](C)NC(=O)c2nnn(C)n2)n1 1109179864 WXYBPOXKOUNEGK-SECBINFHSA-N 315.341 -0.565 30 20 DBED C[C@H](CN(C)c1cncc(C#N)n1)NC(=O)[C@H]1CCNC1=O 1109206881 YTLUJPNZBKYJTQ-KOLCDFICSA-N 302.338 -0.575 30 20 DBED N#Cc1nc(=NC[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C2CC2)cc[nH]1 1109977998 GQMGUKBARTWNCU-OUAUKWLOSA-N 314.349 -0.802 30 20 DBED CC(C)(C(N)=O)C(=O)NCC1(N=c2cc[nH]cc2C#N)CC1 1110256453 UNECPEXJYJNXIO-UHFFFAOYSA-N 301.350 -0.053 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H]1CCCN1C 1110386251 KQFZKZCUXWBEFL-APIJFGDWSA-N 318.421 -0.449 30 20 DBED CO[C@@H](C)C(=O)NC[C@]1(O)CCN(c2ccc(C#N)nn2)C1 1111027055 ZORZDDQUDCZWJJ-IINYFYTJSA-N 305.338 -0.559 30 20 DBED COC[C@@H](C)C(=O)N(C)[C@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1111175646 NIQYLFDOTILYBS-WXHSDQCUSA-N 319.365 -0.361 30 20 DBED C=CCCC(=O)N(C)[C@H]1CN(c2nccn3nnnc23)C[C@@H]1O 1111175864 YIUMVHIFSRJYSV-QWRGUYRKSA-N 317.353 -0.507 30 20 DBED CNC(=O)CC(=O)N1C[C@@H]2CN(c3ncccc3C#N)C[C@@H]2C1 1111293099 VYRXSHKGXZFWKR-BETUJISGSA-N 313.361 -0.016 30 20 DBED C#CCOCCC(=O)N(CCO)CCN=c1cc[nH]c(C#N)n1 1111510555 BLNLQQMDDBNVGE-UHFFFAOYSA-N 317.349 -0.957 30 20 DBED COC[C@H](OC)C(=O)N(CCO)CCNc1ccc(C#N)nn1 1111557148 JOKOZXOIVGJWQY-LBPRGKRZSA-N 323.353 -0.758 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CCCN(c2ccc(C#N)nn2)CC1 1111965230 VFWYMLKCBAJXPI-GFCCVEGCSA-N 316.365 -0.041 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)CCc2ccon2)CC1 1113102342 DROHVXPFRXHUHK-CYBMUJFWSA-N 318.377 -0.111 30 20 DBED C[C@H](CNC(=O)[C@H]1COCCO1)N(C)c1cncc(C#N)n1 1113502403 ZOGUYUSCABPUBQ-ZYHUDNBSSA-N 305.338 -0.295 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)c2nonc2C)CC1 1113727230 JJKQBLXXYAWTSR-LLVKDONJSA-N 305.338 -0.726 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCNC1=O)N(C)c1cnc(C#N)cn1 1113802285 KWODOXTWZIHPOY-ONGXEEELSA-N 302.338 -0.575 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)Cc3cc(C)[nH]n3)[C@H]2C1 1114122747 NXDZFAXWTLURMR-STQMWFEESA-N 315.377 -0.944 30 20 DBED C#CCCCCC(=O)NC1[C@@H]2CN(CC(=O)NC(=O)NC)C[C@@H]12 1114159875 NEJMHKXMAJRLMI-VXGBXAGGSA-N 320.393 -0.318 30 20 DBED O=C(C#CC1CC1)N[C@H]1[C@@H]2CN(C[C@@H]3CCS(=O)(=O)C3)C[C@@H]21 1114253942 XAWKNIZOYNPBPM-TTZDDIAXSA-N 322.430 -0.119 30 20 DBED CC#CCN1C[C@@H]2C(NC(=O)CCCn3c(O)nnc3O)[C@H]2C1 1114494155 UDHVKDHAUSBISW-QWRGUYRKSA-N 319.365 -0.461 30 20 DBED N#Cc1ccc(N2C[C@H]3[C@H](CNC(=O)Cn4cnnn4)[C@H]3C2)nc1 1114509284 WPJDTADSWIFSIS-XYYAHUGASA-N 324.348 -0.562 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)[C@@H]3[C@H]4COC[C@H]43)[C@H]2C1 1114714571 VGICMSJYTDIHMH-UQFQIWMKSA-N 317.389 -0.937 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)COC3CCOCC3)[C@@H]2C1 1114913347 WIQDXBYWNMPDFK-HUUCEWRRSA-N 322.405 -0.122 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)c3cccnn3)[C@H]2C1 1115008238 XKBNBQQCLNQFCX-CIQGVGRVSA-N 315.377 -0.173 30 20 DBED C[C@@H](CN(C)C(=O)CCn1ccnn1)N=c1cc[nH]c(C#N)n1 1115673503 QSLOUFTYAKBEOB-NSHDSACASA-N 314.353 -0.289 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C)c2noc(C)n2)C1=O 1116324738 RAXLUKGMZGWWRR-SSDOTTSWSA-N 321.293 -0.468 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)CCO1 1117531109 FTOIQCBMSRBAPB-JHJVBQTASA-N 307.350 -0.189 30 20 DBED O=C(CNC[C@H]1CCCO1)NCCN/C(O)=C1\N=CC=CC1=O 1118134836 ZJJPRQGTZDDLFE-BFWGRDPESA-N 322.365 -0.602 30 20 DBED N#Cc1ccc(NC(=O)C(=O)N2C[C@@H](CO)[C@H](CO)C2)cc1 1118877197 MWBUWXFHJXZSAB-RYUDHWBXSA-N 303.318 -0.444 30 20 DBED C#Cc1ccc(NC(=O)C(=O)NCCN2CCNC(=O)C2)cc1 1120857309 XPXCSHSVKNZDRT-UHFFFAOYSA-N 314.345 -0.846 30 20 DBED N#Cc1nc(=N[C@@H](CO)CNC(=O)C[C@@H]2CCCO2)cc[nH]1 1121099954 MYELDSRMGRFEKE-MNOVXSKESA-N 305.338 -0.772 30 20 DBED Cn1cc(CC(=O)NC[C@@H](CO)Nc2nccnc2C#N)cn1 1121192038 UKAQXPHFTSXORD-NSHDSACASA-N 315.337 -0.787 30 20 DBED CN1CCC[C@H]1C(=O)NC[C@H](CO)Nc1nccnc1C#N 1121239378 AWLZMTNHMBSQNZ-PWSUYJOCSA-N 304.354 -0.669 30 20 DBED N#Cc1nc(=N[C@H](CO)CNC(=O)Cc2ccc[nH]2)cc[nH]1 1121622012 DLLKBNYOQSNRFE-NSHDSACASA-N 300.322 -0.770 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)Cn2ccnc2)nc1 1121718998 VIZZBOILTIXWDU-LBPRGKRZSA-N 300.322 -0.261 30 20 DBED CN1CC[C@@H](CC(=O)NC[C@@H](CO)Nc2nccnc2C#N)C1 1121807573 VVWDMFJGHBYCFY-RYUDHWBXSA-N 318.381 -0.421 30 20 DBED C#CCOCCC(=O)NC[C@@H](CO)Nc1ccc(C#N)nn1 1122029416 UJKULWWYFGRPLN-LBPRGKRZSA-N 303.322 -0.723 30 20 DBED Cc1cocc1C(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1 1122325904 LSFAOLGEXDQPKT-JTQLQIEISA-N 301.306 -0.126 30 20 DBED CC(=O)NCC(=O)N1C[C@@H](N=c2cc[nH]cc2C#N)C[C@@H]1C 1123122546 RZIMLJLLSZVKDN-GWCFXTLKSA-N 301.350 -0.087 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)c1cccnc1 1124087131 ZENZWFPDTLJBNB-GFCCVEGCSA-N 312.333 -0.290 30 20 DBED Cc1ncc(C(=O)N(C)C[C@@H](O)CNc2cnc(C#N)cn2)[nH]1 1124207444 NZGDYFPPWWFEJO-NSHDSACASA-N 315.337 -0.075 30 20 DBED C=CCOCC(=O)NCCNCC(=O)NC(=O)NCC(C)C 1124767409 FKKZBKAGPYBEAT-UHFFFAOYSA-N 314.386 -0.623 30 20 DBED C=C(C)CN(CC)C(=O)CNCCNC(=O)CNC(=O)CC 1124872585 LCLUXNCSHLOEOY-UHFFFAOYSA-N 312.414 -0.357 30 20 DBED CN(C[C@H](O)CN(C)c1ccc(C#N)nc1)C(=O)c1nc[nH]n1 1125139917 QLBULHQZUZSPGS-GFCCVEGCSA-N 315.337 -0.359 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)c1cncnc1 1126115071 SQZVUVKTHOKMRL-UHFFFAOYSA-N 303.366 -0.003 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CC1(F)F 1126787377 FKTGTBYHWSATHT-BDAKNGLRSA-N 318.324 -0.252 30 20 DBED CN(C(=O)CS(C)(=O)=O)C1CC(N=c2cc[nH]cc2C#N)C1 1126859264 LHZYESGBJGZBFD-UHFFFAOYSA-N 322.390 -0.179 30 20 DBED CC(=O)NCC(=O)NCC1=CCN(c2ccnc(C#N)n2)CC1 1127531852 SMXTYMOGSPOYKN-UHFFFAOYSA-N 314.349 -0.263 30 20 DBED C=CCNC(=O)CNCc1nnc2n1CC[C@@H](NC(C)=O)CC2 1127919342 YDGUZYFYMFZHFY-LBPRGKRZSA-N 320.397 -0.489 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCN[C@H](C)C(=O)NCC(C)C 1129790657 FYMAKECNNVYVEO-CABCVRRESA-N 322.453 -0.050 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@H]1CCn2cncc2C1 1130407175 KSJIHKYVPMIOGZ-STQMWFEESA-N 317.393 -0.711 30 20 DBED C#CCCN1CC[C@@]2(C1)CN(C(=O)CC(=O)NC)C[C@@H](C)O2 1131653971 WEZDATANRKEYFO-CZUORRHYSA-N 307.394 -0.162 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)CN(C)C(C)=O)CC[C@@H]1C 1131833589 BOCRFILGELBVAG-JSGCOSHPSA-N 322.409 -0.817 30 20 DBED COCC#CCN1C[C@H](NC(=O)CS(C)(=O)=O)CC[C@H]1C 1131870231 GDIDJAFAURGDPT-CHWSQXEVSA-N 316.423 -0.350 30 20 DBED C#CCNC(=O)CN1C[C@H](NC(=O)Cc2ccon2)CC[C@@H]1C 1131931202 OROSYAPGFWSVIO-GXTWGEPZSA-N 318.377 -0.064 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)c2c(C)cnn2C)C1=O 1132548112 BBDAYOICYKXFJM-LBPRGKRZSA-N 305.382 -0.165 30 20 DBED CC#CCCCC(=O)NCCNC[C@@H](O)CN1C(=O)CCC1=O 1132593004 LVUVGYVEEUHFTF-CYBMUJFWSA-N 323.393 -0.604 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@H]1Cc2ccncc2C1 1133877393 WUKRMOMUGYCCGD-ZDUSSCGKSA-N 302.378 -0.196 30 20 DBED Cc1c(C(=O)N[C@H](C)C[C@@H](C)NCC(=O)NCC#N)nnn1C 1133993093 CTMSIAAIMAVHCZ-NXEZZACHSA-N 321.385 -0.750 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)c1cn(C)cn1 1134105198 RAKUKGGUPGYZJI-VXGBXAGGSA-N 305.382 -0.344 30 20 DBED C=CCn1cc(C(=O)NCCN[C@@H](C)C(=O)NCCC)nn1 1134973119 DWSNYUBQWZQZON-NSHDSACASA-N 308.386 -0.302 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)CC(=O)NCC1CC1 1147093139 YFEZCAGCVSJTLT-NSHDSACASA-N 310.398 -0.701 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)c1ccnn1C)C2 1147117227 PUFGPKMIGWORAN-UHFFFAOYSA-N 315.377 -0.683 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)c2conc2COC)C1=O 1147556787 INXWJGLRMBECTP-GFCCVEGCSA-N 322.365 -0.073 30 20 DBED CNC(=O)[C@@H](C)N1CCCO[C@H](CNC(=O)C#CC(C)C)C1 1149715392 SJYRIHOECCHXLS-ZIAGYGMSSA-N 309.410 -0.013 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)CN1CCCCCC1=O 1150387038 FPLXTFOIPUOYBC-CYBMUJFWSA-N 324.425 -0.215 30 20 DBED COCCC1(NC(=O)[C@H]2CCC(=O)N2)CCN(CC#N)CC1 1151042608 LCLWFQBGJZSSGD-GFCCVEGCSA-N 308.382 -0.224 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)Cc1ccc[nH]1 1151781714 LTHFWOPEZYXTNP-UHFFFAOYSA-N 307.354 -0.725 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)c1cnnc(O)c1 1153932765 BIIOKKMZJUATBT-SNVBAGLBSA-N 320.353 -0.738 30 20 DBED C=CCNC(=O)CN(CC)[C@H](C)CNC(=O)c1[nH]nnc1C 1154557858 WYJFZSGDIWDSME-SNVBAGLBSA-N 308.386 -0.144 30 20 DBED C#CCN1CCC(CNC(=O)[C@H]2CCNC(=O)C2)(COC)CC1 1162203906 VFFAZRYEQPYCKJ-AWEZNQCLSA-N 321.421 -0.009 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)[C@H](CC)NC(C)=O 1167184747 DLVAPSCFQYFUME-AAEUAGOBSA-N 310.398 -0.865 30 20 DBED C#CCCNCCCNC(=O)C[C@]1(C)CCS(=O)(=O)N1 1174667686 YQTGVXUJTNESAM-ZDUSSCGKSA-N 301.412 -0.423 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)[C@H](C)N2C(=O)CCC2=O)C1 1183033425 ZDPLYZLYPUIHEV-QWHCGFSZSA-N 321.377 -0.636 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H](C2CC2)N(C)C)C1 1183267305 MRZOUDJTIOMBMW-HIFRSBDPSA-N 308.426 -0.181 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](CNCCCO)[C@H](C)C1 1184241570 MXKCVMRWRFRTEU-ZIAGYGMSSA-N 309.410 -0.418 30 20 DBED C[C@H]1CN(C(=O)CN2CCCNC2=O)CC[C@H]1CNCC#N 1184735177 MSDUWQJLYCJBKG-STQMWFEESA-N 307.398 -0.001 30 20 DBED C#CCN[C@@H]1CCO[C@H](C2CCN(C(=O)CNC(N)=O)CC2)C1 1186053788 ZGMPCSIJKFQMKP-KGLIPLIRSA-N 322.409 -0.336 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(CC2CCOCC2)C[C@H]1O 1192539360 GNNPIJDVMAJPDS-FMKPAKJESA-N 312.410 -0.099 30 20 DBED N#CCNC(=O)CN1CCCN(C(=O)CC2(O)CCC2)CC1 1195747708 TZZLNAHMFSUEQF-UHFFFAOYSA-N 308.382 -0.534 30 20 DBED C=CCN1CC[C@@H](NC2CCN(C(=O)CNC(N)=O)CC2)C1=O 1199274048 HWPWXYBSRANCQV-GFCCVEGCSA-N 323.397 -0.978 30 20 DBED COCC#CCNC[C@H]1CN(C(=O)Cn2cccn2)CCCO1 1199847098 PGEBOPURCSJEGB-HNNXBMFYSA-N 320.393 -0.260 30 20 DBED CCCNC(=O)CNC[C@@H]1CN(C(=O)[C@H](C)C#N)CCCO1 1200114612 GPMUCOYSOJSYLP-CHWSQXEVSA-N 310.398 -0.121 30 20 DBED N#CCNC[C@H]1CN(C(=O)[C@@H]2CCNC(=O)CC2)CCCO1 1201081233 TVDAOQOKKKVPJY-STQMWFEESA-N 308.382 -0.367 30 20 DBED C=CCOCCNC[C@H]1CN(C(=O)c2nnn(C)n2)CCCO1 1201188265 ZYEFDZVZQUTHGQ-LBPRGKRZSA-N 324.385 -0.767 30 20 DBED C#CCCNCC1CCN(C(=O)CCn2ncn(C)c2=O)CC1 1205748823 OZZMIRRKMKFBRV-UHFFFAOYSA-N 319.409 -0.177 30 20 DBED C=CCOCC(=O)N1CCC[C@H](N[C@H]2CCC(=O)NC2=O)C1 1207684481 OUISBZXFDCUUOC-RYUDHWBXSA-N 309.366 -0.425 30 20 DBED CCOCCNC(=O)CN[C@H]1CCCN(C(=O)[C@H](C)C#N)C1 1207689188 WQCDOWZUBRNHKO-OLZOCXBDSA-N 310.398 -0.121 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)CC2(O)CCC2)C1 1207989468 OONLRIUTNBXNKR-ZDUSSCGKSA-N 307.394 -0.379 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@H]2OCCO[C@H]2C)C1 1208359644 YQOIUUJCMDLGMM-GUTXKFCHSA-N 323.393 -0.880 30 20 DBED COCC#CCN1C[C@@H](NC(=O)[C@@H]2CCN(C)C2=O)[C@H](C)C1 1208368280 KNXKFWYAWMWQMQ-HZSPNIEDSA-N 307.394 -0.449 30 20 DBED C[C@@H]1CCO[C@@H]1C(=O)N1CCC[C@H](NCC(=O)NCC#N)C1 1209698373 AGJODPQBKUIVII-DYEKYZERSA-N 308.382 -0.368 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCCN(C(=O)Cc2cnc[nH]2)C1 1209837277 PAMZVRFELPOUOV-STQMWFEESA-N 317.393 -0.329 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2cccnc2)[C@H](OC)C1 1211764638 LTCIVJRFTGVFAJ-ZIAGYGMSSA-N 316.361 -0.740 30 20 DBED COC[C@H](O)CN1C[C@@H](NC(=O)C#CC(C)(C)C)[C@H](OC)C1 1212253206 AIFOCHYYIUEHJV-MGPQQGTHSA-N 312.410 -0.141 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)C[C@@H]2COC(=O)C2)C[C@H]1C 1214442413 ZHEAJIFJCMOOTC-FRRDWIJNSA-N 321.377 -0.875 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)COc2cnn(C)c2)C[C@H]1C 1215405163 BCFGIFRRYPCHJN-UKRRQHHQSA-N 320.393 -0.115 30 20 DBED CC(C)=CC(=O)N1CCO[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1217226070 NMLTXDHFAPWOSH-QWHCGFSZSA-N 306.366 -0.496 30 20 DBED C=C(C)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)C[C@@H](C)NC(N)=O 1217887178 ODXRIARIAMYWBX-FRRDWIJNSA-N 310.398 -0.079 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)c2cccc(C)n2)C1 1219189481 OBKHBTXMEPVUST-CABCVRRESA-N 303.362 -0.185 30 20 DBED C=C(C)CCC(=O)N[C@@H]1CN(C[C@H](O)Cn2cccn2)C[C@@H]1O 1219710751 GZASFKCMNYGXPI-ZNMIVQPWSA-N 322.409 -0.238 30 20 DBED C#CCC1(C(=O)N[C@@H]2CN(CC(=O)NCC=C)C[C@@H]2O)CCC1 1219784249 UYVWMCNOHUETKU-KGLIPLIRSA-N 319.405 -0.357 30 20 DBED C=C(C)C(C)(C)C(=O)N[C@@H]1CN(CCN2CCNC2=O)C[C@@H]1O 1220133666 JZJZBWYEVXTJOS-OLZOCXBDSA-N 324.425 -0.225 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)c2cc(C(N)=O)co2)C1 1220338140 MIVOJBAMIWBZOL-NEPJUHHUSA-N 323.349 -0.644 30 20 DBED C=CCNC(=O)CN1CC[C@@H]2CN(C(=O)[C@H](C)NC(C)=O)[C@@H]2C1 1221243891 USAVYSYWZFPCNQ-IACUBPJLSA-N 322.409 -0.654 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)CCCn3c(O)nnc3O)[C@@H]2C1 1221662608 VOOPLZSMJGFMKV-VXGBXAGGSA-N 319.365 -0.365 30 20 DBED COCC#CCN1CC[C@@H]2CCN(C(=O)[C@@H]3COC(=O)N3)C[C@@H]21 1222622436 RZHNWGCEUSUFNF-RDBSUJKOSA-N 321.377 -0.333 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CCN(C(=O)c3ncc[nH]3)C[C@@H]21 1222631904 IFWBUCYFPYFMAT-OLZOCXBDSA-N 315.377 -0.305 30 20 DBED COCC#CCN1CCC(CNC(=O)[C@H]2CCC(=O)NC2)CC1 1223701659 PAARUFNLZNRXLW-HNNXBMFYSA-N 321.421 -0.009 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)c2oncc2C)CC1 1229870047 AWBIASZSQVHCGW-UHFFFAOYSA-N 304.350 -0.073 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCO[C@H](C#N)C1 1324183029 VWXGJIPLXSGINW-UPJWGTAASA-N 307.350 -0.165 30 20 DBED CCc1cc(CNC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)on1 1326098119 JZPLBIVYQLWAFX-AWEZNQCLSA-N 306.322 -0.270 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)NCCc2nccs2)C1 1326870325 VDULIDZSVLDLNT-ZDUSSCGKSA-N 308.363 -0.321 30 20 DBED C#C[C@H](NC(=O)C(=O)NCCn1cnnc1CC)[C@@H]1CCCO1 1342540876 OXRMYNGBHXBTPT-RYUDHWBXSA-N 319.365 -0.746 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)NCc2cccc(F)n2)C1 1345869668 BTPRNLZKMNYWJE-AWEZNQCLSA-N 306.297 -0.286 30 20 DBED C#CCOCCn1nnnc1N1CCC(NC(=O)C2CC2)CC1 1355802582 VHCNMDPQENYVQR-UHFFFAOYSA-N 318.381 -0.182 30 20 DBED COc1cc(CNC(=O)Cn2cc(C#N)c(O)nc2=O)ccn1 1361891770 NJWKTICTWPXVDA-UHFFFAOYSA-N 315.289 -0.459 30 20 DBED Cc1nn(C)c(=O)c(C(=O)NC[C@@H](C)NC(=O)[C@H](C)C#N)c1C 1386417354 VHRVUSOPLILBPO-RKDXNWHRSA-N 319.365 -0.209 30 20 DBED C[C@@H](CNC(=O)c1c[nH]c(C#N)c1)NC(=O)CN1CCCC1=O 1392670836 QXJIPDRHNCOGNO-JTQLQIEISA-N 317.349 -0.257 30 20 DBED CCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1COCCO1 1395967991 OLCGGYVTQUKHIW-NWDGAFQWSA-N 307.354 -0.015 30 20 DBED C=C(Cl)CN[C@H](CC)CNC(=O)c1cn(CC(N)=O)nn1 1400921110 PRWBEBKYRWQNEG-SECBINFHSA-N 314.777 -0.386 30 20 DBED CC(=O)NCC(=O)N[C@@H](C)CN(C)C(=O)c1cc(C#N)c[nH]1 1405011251 MBPPIPSBZCULQD-VIFPVBQESA-N 305.338 -0.401 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CCN(C(=O)c2ccc(C(N)=O)[nH]2)C1 1407548165 FHHMBGAJPBAWMJ-IUCAKERBSA-N 303.322 -0.396 30 20 DBED C=C(Cl)CN1CCOC[C@@H]1CNC(=O)Cn1ncnn1 1407739121 AFGIQPKFDDPMLS-JTQLQIEISA-N 300.750 -0.757 30 20 DBED CN(CCC#N)S(=O)(=O)NC[C@H](CO)Cc1cccnc1 1414295080 VLNANRSHRWJRQY-CYBMUJFWSA-N 312.395 -0.088 30 20 DBED C[C@@H](C#N)C(=O)NCCN1CCN(C(=O)[C@H]2CCCN2C)CC1 1414757998 VCUXMXSMBBEBDQ-UONOGXRCSA-N 321.425 -0.499 30 20 DBED CO[C@@H](C(=O)NCC1CN(C(=O)[C@@H](C)C#N)C1)c1cnn(C)c1 1416109398 YXTUDHHIKWXMLA-GXFFZTMASA-N 319.365 -0.158 30 20 DBED C[C@@H]1[C@@H](N(C)C)CCN1C(=O)CCn1cc(C#N)c(O)nc1=O 1417881234 HXSHIBRYZDCJTG-PWSUYJOCSA-N 319.365 -0.238 30 20 DBED CCCNC(=O)NC(=O)CN[C@H]1C[C@H](NC(=O)[C@H](C)C#N)C1 1418052743 RUFRKRVMDMNXMB-GMTAPVOTSA-N 309.370 -0.381 30 20 DBED Cc1cn(C)nc1C(=O)N(C)C[C@@H](O)CNC(=O)[C@@H](C)C#N 1428195833 WROQLYRTVIDWTC-ONGXEEELSA-N 307.354 -0.563 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C)C(=O)[C@@H]1CCS(=O)(=O)C1 1431477359 CTQSWUFSTRCGCX-VHSXEESVSA-N 301.368 -0.845 30 20 DBED CCCS(=O)(=O)CC(=O)NCC1(NC(=O)[C@@H](C)C#N)CC1 1432177370 BYUISHPBEPPZOQ-JTQLQIEISA-N 315.395 -0.264 30 20 DBED C=C(Cl)CN(C)CCN(C)C(=O)[C@H]1CCS(=O)(=O)N1 1445084605 AWAONHIGSKXYHK-SNVBAGLBSA-N 309.819 -0.179 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@](C)(NC(=O)CCn2cnnn2)C1 1453878337 XFBGCGWMZHFKCK-GXFFZTMASA-N 305.342 -0.670 30 20 DBED CC[C@H](NC(=O)Cn1cc(C#N)c(O)nc1=O)[C@H]1CCCO1 1466614876 QIHYXJCOYRHHBS-WDEREUQCSA-N 306.322 -0.106 30 20 DBED C#CCN(CC(=O)O)S(=O)(=O)C[C@@]1(OC(C)C)CCOC1 1588425202 JINXJNIIDBCLRE-CYBMUJFWSA-N 319.379 -0.080 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@H](C(=O)O)C(C)(C)C)CC1 1588429839 FBSFKWXUINHBJJ-CYBMUJFWSA-N 323.393 -0.373 30 20 DBED C#CCN(C(=O)NC/C=C(\C)C(=O)O)[C@H]1CCS(=O)(=O)C1 1588460318 XWKSRCDIBSGBCZ-INJWIWPUSA-N 314.363 -0.151 30 20 DBED C#CCNC(=O)C1CCN(C(=O)Cn2ccc(C(=O)O)n2)CC1 1588479298 IOQNKMVNPLVAKM-UHFFFAOYSA-N 318.333 -0.431 30 20 DBED C=CCn1cc(C(=O)NC2CN(C(=O)[C@H]3C[C@@H]3C(=O)O)C2)nn1 1588910479 ZSGKFMZHLHCXGH-UWVGGRQHSA-N 319.321 -0.875 30 20 DBED N#CCCN1CCN(Cn2cccc(-c3nn[nH]n3)c2=O)CC1 1592677649 DKNXJRBJSWTNIV-UHFFFAOYSA-N 314.353 -0.483 30 20 DBED C[C@H]1CN(C(=O)[C@@H](C)n2cnc(C#N)n2)CCN1CCC(=O)O 1594462167 DVUKTHSVKYAXFA-WDEREUQCSA-N 320.353 -0.282 30 20 DBED COC(=O)[C@@H]1CN(C(=O)c2ccc(C#N)cn2)C[C@@H]1C(=O)O 1598817782 OGBUWBHBDIAYJM-VHSXEESVSA-N 303.274 -0.101 30 20 DBED C=CCN(CC(=O)O)S(=O)(=O)c1cncc(-c2nn[nH]n2)c1 1602850824 VMCVXHVMFLQZRL-UHFFFAOYSA-N 324.322 -0.477 30 20 DBED CNC(=O)[C@H](O)CNC(=O)CCc1c(C)nc(O)c(C#N)c1C 1647166569 RUOUQMGXJGFSON-GFCCVEGCSA-N 320.349 -0.569 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@@H]1CCN(C(=O)CN(C)CCC)C1 1752957978 IRQGZIGIHPRWJC-CABCVRRESA-N 322.453 -0.096 30 20 DBED C=C1CC(C)(C(=O)NCCN(C)CC(=O)N2CCNC(=O)C2)C1 1753063641 ZNKVYYLEHCNRFP-UHFFFAOYSA-N 322.409 -0.651 30 20 DBED C#CCNC(=O)CN1CC[C@@H](CNC(=O)[C@@H]2CCO[C@H]2CC)C1 1753130791 HVRZPILROWNNQH-ZNMIVQPWSA-N 321.421 -0.011 30 20 DBED C#CCNC(=O)[C@H](C)N(C)C[C@@H]1CCN(C(=O)CCOC)C1 1753347390 ZYTNRFVNGNBPBG-KBPBESRZSA-N 309.410 -0.059 30 20 DBED C=CCCOCC(=O)N1C[C@@H]2C[C@H]1CN2Cc1nc(O)n[nH]1 1753427818 ULWHPELSNKZFHT-QWRGUYRKSA-N 307.354 -0.112 30 20 DBED C#CCNC(=O)CNCCN(CC)C(=O)[C@@H](C)n1cncn1 1754048807 LVMCRMUIHVCAPY-GFCCVEGCSA-N 306.370 -0.973 30 20 DBED CC(C)C#CC(=O)N[C@H](C)CNCCCN1C(=O)CNC1=O 1754226305 IAMBBEKSIOZQAJ-GFCCVEGCSA-N 308.382 -0.318 30 20 DBED COCC#CCNCCCN(C)C(=O)c1ccc(C(N)=O)[nH]1 1754395964 WIFDKMWEUCJPKS-UHFFFAOYSA-N 306.366 -0.185 30 20 DBED C=C(Cl)CN1CC(O)(CNC(=O)C2(C(=O)NC)CC2)C1 1754775933 JNRPHMXDTGRJCX-UHFFFAOYSA-N 301.774 -0.572 30 20 DBED C#CCN1CCC[C@](CO)(NC(=O)c2cnn3cc[nH]c23)C1 1754861158 KKSHUMKFGJCXRI-HNNXBMFYSA-N 301.350 -0.148 30 20 DBED Cc1nc(C)n(CCNC[C@@H]2CN(C(=O)[C@H](C)C#N)CCO2)n1 1754995903 JLWGASWWIWJSMY-BXUZGUMPSA-N 320.397 -0.128 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCC(O)(CNCCCO)CC1 1755149185 XUKYGYSRFFYLOW-AWEZNQCLSA-N 300.399 -0.361 30 20 DBED Cc1nonc1C(=O)NCC[C@@H](NCC(=O)NCC#N)C(C)C 1755553808 XVSONSMLYAHLBV-LLVKDONJSA-N 322.369 -0.248 30 20 DBED Cc1nc(C)c(C(=O)N(C)C[C@H](C)NCC(=O)NCC#N)o1 1755583022 BUWIBYXJQCSCEP-VIFPVBQESA-N 307.354 -0.019 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H](CO)CNC(=O)c1ccccc1 1755620746 BNXLQMKDIHDZTA-OCCSQVGLSA-N 303.362 -0.495 30 20 DBED C#CCN[C@H]1CCN(C(=O)CCS(=O)(=O)N(C)C)[C@@H]1C 1755666494 FAEDMLLMNLHJOT-NEPJUHHUSA-N 301.412 -0.520 30 20 DBED C=CCNC(=O)[C@@H](C)N(C)C[C@H](O)CN(C)C(=O)C#CC1CC1 1755800754 MTDTXDUGNMYAHM-HIFRSBDPSA-N 321.421 -0.158 30 20 DBED CC#CCN(CCNC(=O)c1cc(=O)n(C)cn1)CCOC 1755839467 QKWYRPKEGQBKHP-UHFFFAOYSA-N 306.366 -0.518 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H]1C[C@H](CNC(=O)Cn2cccn2)C1 1756250316 MMAIDDPMIARGBK-MGPQQGTHSA-N 318.377 -0.068 30 20 DBED C#Cc1ccc(C(=O)NCCOCCCNC(=O)C(N)=O)cc1 1756401518 YUCUELGMSSVCQG-UHFFFAOYSA-N 317.345 -0.594 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H](C)CN(C)C(=O)CCn1ccnn1 1756446468 IZADMTJRJFFDKD-CHWSQXEVSA-N 321.381 -0.330 30 20 DBED Cc1cc(C(=O)N(C)C[C@H](O)CNC(=O)C#CC2CC2)n(C)n1 1756654365 VXCNJJWUXLISLE-CYBMUJFWSA-N 318.377 -0.309 30 20 DBED CN(Cc1cnn(C)c1)C(=O)CN1CCN(CCC#N)CC1 1771861897 XKKDOFVEAJZTDF-UHFFFAOYSA-N 304.398 -0.090 30 20 DBED C=CCC(=O)N1CC[C@@]2(C1)CN(C(=O)C(=O)N(C)C)CCO2 1783914060 HRYFCKSOLSMSBY-OAHLLOKOSA-N 309.366 -0.519 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(CC)COC1)C2 1800455478 CFCQOXQMWVVWMZ-DABQJJPHSA-N 306.362 -0.364 30 20 DBED C=CCNC(=O)CNC(=O)c1cc(N2CCOCC2)ccn1 275974991 DQDBRDJCUYGBLF-UHFFFAOYSA-N 304.350 -0.050 30 20 DBED N#CCCCOc1cccnc1NC(=O)NC(CO)(CO)CO 297049757 XVYZXSWELQWWDK-UHFFFAOYSA-N 324.337 -0.399 30 20 DBED CN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CCNC(=O)C1 297693195 BHLRBPWINGORPP-UHFFFAOYSA-N 300.318 -0.525 30 20 DBED CS(=O)(=O)N1CCC[C@H](/N=C(/O)CN2CCOCC2=O)C1 329836747 HXVDTKDRRZRGRX-JTQLQIEISA-N 319.383 -0.774 30 20 DBED O=C1C[C@H](/N=C(/O)CN2CCCS2(=O)=O)CN1C1CC1 330053149 QAQSVUJSORQMCK-VIFPVBQESA-N 301.368 -0.258 30 20 DBED CCN(CCC#N)C(=O)CN1CCC2(CC1)NC(=O)N(C)C2=O 331602247 JKUSEFHVSCDNDW-UHFFFAOYSA-N 321.381 -0.235 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)[C@@H]2CN3CCCN2CC3)C1=O 337105868 ZNYGJSSLGZQYKX-KGLIPLIRSA-N 306.410 -0.378 30 20 DBED Cc1cc(NC(=O)C(=O)N[C@H](CO)CC(C)C)nn1CCC#N 349284009 QEJFAOBIOPYRRQ-LBPRGKRZSA-N 321.381 0.567 30 20 DBED Cn1c(N2CCC[C@@H]2c2ncon2)c(C#N)c(=O)n(C)c1=O 370772212 IJQBSQGUEAWLJE-SECBINFHSA-N 302.294 -0.320 30 20 DBED CNC(=O)[C@@H]1CN(C(=O)C(=O)NCCC#N)c2ccccc2O1 427884241 SJLKGGCVMLXKNB-LBPRGKRZSA-N 316.317 -0.444 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CS[C@@H](C)C2)C1=O 516956821 SQANHJPGRQAEQZ-DTWKUNHWSA-N 311.363 -0.027 30 20 DBED CN1C(=O)C(=O)N(CC(=O)Nc2cc(CC#N)ccn2)C1=O 531671658 UWLDVARHATUTFU-UHFFFAOYSA-N 301.262 -0.493 30 20 DBED CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)COc1ccc(C#N)cc1 598030251 SXOQRZAHNKXCCM-QWHCGFSZSA-N 324.358 -0.135 30 20 DBED COC(=O)CCNC(=O)CCNc1nccc(C#N)c1[N+](=O)[O-] 599171093 UKKSJJDNGQZXBP-UHFFFAOYSA-N 321.293 0.343 30 20 DBED C[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](C#N)C2)CC[C@H]1C(=O)O 600798513 CERANCMWKAVCMX-GMTAPVOTSA-N 309.322 -0.693 30 20 DBED CN(Cc1nccn1C)C(=O)C(=O)N1CCN(CCC#N)CC1 601421344 JOKRUJKGBGXXKC-UHFFFAOYSA-N 318.381 -0.564 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N(C)[C@H]1CCC(=O)N(C)C1 601457864 FZNUWYUBOVDCHE-QWRGUYRKSA-N 302.400 -0.125 30 20 DBED C[C@@]1(CO)C[C@@H](O)CN1CC(=O)NCc1ccc(C#N)cc1 602906286 ILBYJPHUOLJSNJ-ZBFHGGJFSA-N 303.362 -0.008 30 20 DBED N#CCCn1ccc(NC(=O)N2CCN(C(=O)CO)CC2)n1 611245739 HPEIXVAANHERDH-UHFFFAOYSA-N 306.326 -0.535 30 20 DBED C=CCCCCNC(=O)C(=O)N[C@H]1CS(=O)(=O)C[C@H]1OC 612187927 RXDKEVFZGZPGOK-WDEREUQCSA-N 318.395 -0.613 30 20 DBED C=C[C@@](C)(O)C(=O)NCCOCCN(C)C(=O)[C@](C)(O)C=C 619326297 OYOORRQFOHOGTH-HUUCEWRRSA-N 314.382 -0.548 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN[C@@H](C(C)C)C2)C1=O 621153797 ZVPGBFOGZXMEHF-LLVKDONJSA-N 322.365 -0.580 30 20 DBED CC#CC[C@H](CO)NC(=O)C(=O)Nc1ccc(C(=O)NC)cc1 646954869 DFPFLIHOSQQJBV-CYBMUJFWSA-N 317.345 -0.125 30 20 DBED C=CCn1cc(C(=O)N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)nn1 648814806 UHMKVMHGOMFDLV-NSHDSACASA-N 318.337 -0.427 30 20 DBED N#CCCN(CCN1CCOCC1)C[C@@H](O)CN1CCCC1 749117909 UCVUUMMUFRTNMO-INIZCTEOSA-N 310.442 -0.009 30 20 DBED C#CCC(C)(C)C(=O)N(C)CC(=O)N[C@H]1CCS(=O)(=O)C1 767300116 ZQJWRFKFOKGDFW-NSHDSACASA-N 314.407 -0.202 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)c1cc([N+](=O)[O-])cnc1N 781662259 FUFIFWJPNWIITF-UHFFFAOYSA-N 323.265 -0.259 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@H]1CCc2n[nH]cc2C1)[C@H]1CCCO1 788484132 IGEFUNXGYBHDCS-SGMGOOAPSA-N 316.361 -0.320 30 20 DBED C#CCNC(=O)COC(=O)C1=C(C)N(C)c2ncnn2[C@@H]1C 791463791 CIPCXBGNKLBPJZ-SNVBAGLBSA-N 303.322 -0.145 30 20 DBED C=CCS(=O)(=O)CCNC(=O)NCC1([S@](C)=O)CC1 799382325 KJXMUAJWALCHAL-SFHVURJKSA-N 308.425 -0.203 30 20 DBED CC(C)(C)OC(=O)CS(=O)(=O)CCN1CCO[C@H](C#N)C1 808723066 JDKASBWOBWMOSS-LLVKDONJSA-N 318.395 -0.033 30 20 DBED O=C(N[C@@H]1CCCN(O)C1=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 816756322 VILKSHXTWHPIFW-WCBMZHEXSA-N 307.310 -0.741 30 20 DBED NC(=O)NCc1ccc(C(=O)N[C@H]2CCCN(O)C2=O)cc1 820476756 PPVZHRKYADCAKO-NSHDSACASA-N 306.322 -0.035 30 20 DBED Cc1ccc(-c2nnn(CC(=O)N[C@H]3CNC[C@@H]3C#N)n2)cc1 843459221 DHZJQVWIPCQVPS-STQMWFEESA-N 311.349 -0.124 30 20 DBED Cc1cccc(=O)n1C[C@](C)(O)C(=O)N[C@H]1CCCN(O)C1=O 848133591 BULQWRJFKBXEGX-NHYWBVRUSA-N 323.349 -0.596 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N1CCC2(CC1)OCCO2 850709674 CULLEIUOIYCZSY-UHFFFAOYSA-N 324.377 -0.150 30 20 DBED C#CCN1CCC[C@@H](Nc2nc3c(c(O)nc(=O)n3C)n2C)C1 884612211 HFEKKNQLZQEFQS-SNVBAGLBSA-N 316.365 -0.118 30 20 DBED O=C(CN1C(=O)CCC1=O)N[C@H]1CCN(C(=O)C#CC2CC2)C1 937929403 FEKGTCZWFQVYIR-LBPRGKRZSA-N 317.345 -0.734 30 20 DBED C[C@H](C#N)C(=O)N1CCCN(C(=O)[C@@H]2CCCNC2=O)CC1 941359219 VUSXZQDCJIZBBH-VXGBXAGGSA-N 306.366 -0.267 30 20 DBED C#CCCN1CC[C@H](NC(=O)Cn2ccc(O)nc2=O)[C@H](C)C1 942313319 HJXNSHKIBXOPGP-OLZOCXBDSA-N 318.377 -0.201 30 20 DBED O=C(NC[C@@H]1CN(C(=O)C#CC2CC2)CCO1)c1cnns1 944496595 DIYHXOKZUAUVGX-LLVKDONJSA-N 320.374 -0.091 30 20 DBED C=CCCn1cc(C(=O)NC[C@@H]2CN(C(C)=O)CCO2)nn1 944610143 JDCOJGOUBWHFCR-GFCCVEGCSA-N 307.354 -0.169 30 20 DBED N#CCN1C[C@@H](O)[C@H](CNC(=O)c2cn(C3CCC3)nn2)C1 958073540 LWHODYKCYUWYCO-ZWNOBZJWSA-N 304.354 -0.451 30 20 DBED O=C(C#CC1CC1)N1C[C@H]2CN(C(=O)Cn3cnnn3)C[C@H]2C1 959827048 NIBFYLBMTHPHKN-BETUJISGSA-N 314.349 -0.997 30 20 DBED C#CCN1C[C@H]2[C@H](NC(=O)c3nc(O)nc(O)c3OC)[C@H]2C1 962279301 IPBRVWAQTMSETO-BRPSZJMVSA-N 304.306 -0.810 30 20 DBED C=CCCN1C[C@H]2C(NC(=O)[C@H]3CN(C(C)=O)CCO3)[C@@H]2C1 962434088 BKQURBINLGPVFC-MGPQQGTHSA-N 307.394 -0.144 30 20 DBED C#CCN1CCC(C(=O)NC2[C@H]3CN(CCCO)C[C@H]23)CC1 962772417 INPQFUXZZPQAEF-GJZGRUSLSA-N 305.422 -0.240 30 20 DBED COCC(=O)N1CCOC[C@@H]1CNC(=O)c1cc(C#N)c[nH]1 964147310 WOPPDPRYQTXKSH-NSHDSACASA-N 306.322 -0.510 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(C[C@H](NC(=O)Cc3cnoc3)CO2)C1 965791616 XQRQFHOXSWCQRX-JQWIXIFHSA-N 318.333 -0.137 30 20 DBED CCN(C(=O)[C@@H]1CN(C)CCO1)C1CN(C(=O)C#CC2CC2)C1 967853710 GEBIIGLSCSNZIE-HNNXBMFYSA-N 319.405 -0.210 30 20 DBED CCN(C(=O)[C@H]1CCNC(=O)C1)C1CN(C(=O)[C@H](C)C#N)C1 967871456 RXXMAYNGRNHBNC-MNOVXSKESA-N 306.366 -0.268 30 20 DBED C=CCn1cc(C(=O)N2C[C@H]3CC[C@H]2CN3CC(N)=O)nn1 971900540 YHAUGCVWGQGECI-MNOVXSKESA-N 304.354 -0.762 30 20 DBED C=C(C)CN1C[C@H]2CC[C@H]1CN2C(=O)[C@H]1CCS(=O)(=O)N1 972123212 WLXHVTIQEYQENV-YNEHKIRRSA-N 313.423 -0.071 30 20 DBED C[C@H]1CC(=O)N[C@@H](C(=O)N2CC[C@]3(CN(CC#N)CCO3)C2)C1 972386864 HTHFZEWRXODMHT-IOASZLSFSA-N 320.393 -0.272 30 20 DBED C[C@@H](C#N)C(=O)N1[C@H]2CC[C@H]1CC(NC(=O)Cn1cnnn1)C2 973579841 HYMDUQQQDGYYLS-DLOVCJGASA-N 317.353 -0.529 30 20 DBED C#CCN[C@@H]1CCC[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 981359163 CRXSOXDWSHIMJS-NEPJUHHUSA-N 318.377 -0.652 30 20 DBED N#Cc1cc(C(=O)N[C@H]2CCC[C@H](NC(=O)C(N)=O)C2)c[nH]1 983566835 BKVKKDQNQCTQGA-UWVGGRQHSA-N 303.322 -0.471 30 20 DBED C[C@@H](NC(=O)c1ccc(C#N)[nH]1)C1CCN(C(=O)C(N)=O)CC1 986976606 BNANKSPKZSRUDU-SECBINFHSA-N 317.349 -0.271 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H](NC(=O)[C@@H]2CCC(=O)N2C)C1 989266775 BKZAUEODVBYFBY-WOPDTQHZSA-N 306.366 -0.126 30 20 DBED COC(=O)[C@H]1C[C@H]1C(=O)N1CC(NC(=O)c2ccc(C#N)[nH]2)C1 990891345 YTECPPCQIRYMCN-MNOVXSKESA-N 316.317 -0.364 30 20 DBED Cc1nc[nH]c1C(=O)N[C@@H]1CCN(C(=O)C#CC2CC2)C[C@H]1O 991593976 QENNTQPKXQVQRP-CHWSQXEVSA-N 316.361 -0.177 30 20 DBED C#CCN1CC[C@@]2(NC(=O)c3nnc(O)nc3O)CCC[C@@H]12 991617028 APQDAJCIFCOCBB-OTYXRUKQSA-N 303.322 -0.357 30 20 DBED C=CCn1cc(C(=O)NC2CN(C(=O)C3CC(OC)C3)C2)nn1 991677139 ODHWWMLBVIOVHK-UHFFFAOYSA-N 319.365 -0.170 30 20 DBED CC(=O)N[C@@H]1CC(=O)N(C2CN(C(=O)c3cc(C#N)c[nH]3)C2)C1 995458770 WZYBYKZVLBFPEC-LLVKDONJSA-N 315.333 -0.552 30 20 DBED C#CCNC1CCN(C(=O)c2coc(S(N)(=O)=O)c2)CC1 996729699 FYZMEGDCQRWYLF-UHFFFAOYSA-N 311.363 -0.246 30 20 DBED C#CCNC1CCN(C(=O)CCc2nnc(O)nc2O)CC1 996753111 QMPBMIPGGJMWAQ-UHFFFAOYSA-N 305.338 -0.571 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)c2cc3n(n2)CCCO3)C1 996888024 OJAYHYWHXICHIW-VIFPVBQESA-N 303.322 -0.234 30 20 DBED C#Cc1cncc(C(=O)N2CC(NC(=O)c3cn(CC)nn3)C2)c1 998793347 WPGOABUDMPZDGH-UHFFFAOYSA-N 324.344 -0.071 30 20 DBED Cn1ncc(C(=O)NCc2cn([C@@H]3CCN(CC#N)C3)nn2)n1 1000028717 KQKWNSRIPMSVSQ-LLVKDONJSA-N 315.341 -0.893 30 20 DBED C=CCn1cc(C(=O)NCC2CN(C(=O)c3cnn[nH]3)C2)nn1 1001967634 QQLAJMUSGLPYLE-UHFFFAOYSA-N 316.325 -0.916 30 20 DBED C[C@@H](C#N)C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cn1nccn1 1003009918 WWGPHJZBMGYHMY-QCNOEVLYSA-N 302.338 -0.314 30 20 DBED CC#CCN1CCC[C@@H](NC(=O)[C@H]2CCN(C)S2(=O)=O)C1 1008842146 VKJGBMPHMSBWDR-CHWSQXEVSA-N 313.423 -0.376 30 20 DBED C[C@H]1C[C@H](CNC(=O)c2ccc(C#N)[nH]2)CN1C(=O)C(N)=O 1010285775 UDBOXPDVXGEEHQ-DTWKUNHWSA-N 303.322 -0.662 30 20 DBED Cc1nn[nH]c1C(=O)NC[C@@H]1CN(C(=O)[C@@H](C)C#N)CCCO1 1019636972 XNMUURGFZGUBQS-GXSJLCMTSA-N 320.353 -0.380 30 20 DBED Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2O)cn1 1023072990 NXLDDYRHXGOCFM-ZWKOPEQDSA-N 302.334 -0.149 30 20 DBED C=C[C@@](C)(CC)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn(C)nn2)C1 1023589593 PBZBJEYPYQODKY-HCKVZZMMSA-N 321.381 -0.281 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CCC)C[C@H]1O 1024357695 SWWPLVJBGGMSQX-HZSPNIEDSA-N 307.394 -0.428 30 20 DBED C#CCN1CCCC[C@@H]1CNC(=O)[C@H]1CCN(C)S1(=O)=O 1024704262 JIHNPHATCLKEFY-CHWSQXEVSA-N 313.423 -0.376 30 20 DBED C=CCN1CCCC[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 1034423107 FXTKGPSRILGLJI-GFCCVEGCSA-N 320.393 -0.146 30 20 DBED N#CCN1CC2(CCN(C(=O)[C@@H]3CCS(=O)(=O)C3)CC2)C1 1035745090 BDIDBKMNTCWFCF-GFCCVEGCSA-N 311.407 -0.131 30 20 DBED C#CCN[C@@H]1CCN(C(=O)Cn2ccc(O)nc2=O)C[C@@H]1C 1036097791 DDFPJYSHLDWCNN-NWDGAFQWSA-N 304.350 -0.591 30 20 DBED CN(C)CCn1ccc(C(=O)N[C@@H]2[C@H]3C[C@H]2N(CC#N)C3)n1 1037407252 JAFWURHILHYHLO-IACUBPJLSA-N 302.382 -0.229 30 20 DBED C=CCCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)Cn1nc(C)n(C)c1=O 1037695716 IQQCXNLSFXCQRC-MBNYWOFBSA-N 305.382 -0.345 30 20 DBED C=C(C)CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1cn(CC(N)=O)nn1 1037742013 DAJOWQSYEWBHLS-SCDSUCTJSA-N 318.381 -0.468 30 20 DBED N#Cc1ccccc1CN1CC[C@H]1CNC(=O)[C@@H]1CNC(=O)N1 1038655247 VYNNTXIILSMHAV-KBPBESRZSA-N 313.361 -0.070 30 20 DBED Cc1ncc(C(=O)N2CC[C@@](O)(CNC(=O)C#CC3CC3)C2)[nH]1 1039677411 HOZFLCREXQHCPC-MRXNPFEDSA-N 316.361 -0.175 30 20 DBED CC(C)N(C)CC(=O)N1CC[C@](O)(CNC(=O)[C@H](C)C#N)C1 1040765673 KFFQZJLMTSFOAW-DOMZBBRYSA-N 310.398 -0.434 30 20 DBED C=C(C)CCC(=O)N1CC[C@@](O)(CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 1040933374 IKGCUYNMRNDIOG-BFQNTYOBSA-N 323.393 -0.456 30 20 DBED Cn1cc(C(=O)N[C@@H]2CN(c3ccc(C#N)cn3)C[C@H]2O)cn1 1040934618 WAUGBFBRYXXZDB-CHWSQXEVSA-N 312.333 -0.334 30 20 DBED N#Cc1nccnc1N1C[C@@H](O)[C@H](NC(=O)c2cnsn2)C1 1040939147 MIUGAADBNMDNSX-NXEZZACHSA-N 317.334 -0.821 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(O)(CNC(=O)[C@H](C)SC)C1 1041616507 JGXLJDIBZAHHKW-GWCFXTLKSA-N 316.423 -0.246 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)COC2CCCC2)C1 1041678033 GPFJJMZZNZHPMF-NSHDSACASA-N 309.366 -0.205 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CC(=O)N(CC)C2)C1 1041970131 VKNIJSXPZQBIID-GFCCVEGCSA-N 323.393 -0.490 30 20 DBED N#CCN1CC[C@@H]2CCN(C(=O)c3nnc(O)nc3O)C[C@@H]21 1042133576 KPPWXNVTGORSHY-BDAKNGLRSA-N 304.310 -0.657 30 20 DBED CC#CCN1CC[C@@H]2CCN(C(=O)CN3CC(=O)NC3=O)C[C@H]21 1042273584 SXQDVKUCBNIPCP-CHWSQXEVSA-N 318.377 -0.516 30 20 DBED CCOCCC(=O)N1CC(O)(CNC(=O)c2ccc(C#N)[nH]2)C1 1042609246 SFNZLUPRYHNCDQ-UHFFFAOYSA-N 320.349 -0.384 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)[C@@H](C)OCC=C)C1 1043039973 LIVAHJYDANLGJI-CYBMUJFWSA-N 324.377 -0.693 30 20 DBED C=C(C)CCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCNC2=O)C1 1043314904 KBXDQYDFHZNCMO-LLVKDONJSA-N 309.366 -0.832 30 20 DBED Cn1cncc1C(=O)NCC1(O)CN(C(=O)C#CC(C)(C)C)C1 1043751877 YWKVLXYXIQPEQT-UHFFFAOYSA-N 318.377 -0.227 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CN([C@@H]2CCN(C)C2=O)C1 1043924200 ULDCYXGNLFCYGD-MCIONIFRSA-N 307.394 -0.049 30 20 DBED Cc1c[nH]cc1C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1043959001 MGEREQTYCNAAMK-NEPJUHHUSA-N 312.333 -0.036 30 20 DBED C#CCN[C@H]1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)[C@H](C)C1 1044775030 JECYGPKOBUWQHN-OLZOCXBDSA-N 318.377 -0.471 30 20 DBED Cc1cc(C(=O)N2CC(O)(CNC(=O)[C@H](C)C#N)C2)cnn1 1045540463 IANFXLFXKDDEFN-SECBINFHSA-N 303.322 -0.752 30 20 DBED COCc1nocc1C(=O)N1CC(O)(CNC(=O)[C@H](C)C#N)C1 1045545729 BBBFJGQCRZTEMW-SECBINFHSA-N 322.321 -0.716 30 20 DBED N#CCN1CCC2(CC1)CO[C@@H](CNC(=O)c1nc[nH]n1)C2 1045681197 CMLKYNFTDOKUBH-LLVKDONJSA-N 304.354 -0.071 30 20 DBED C#CCCN1CC[C@@H](N2CCN(C(=O)Cc3nc[nH]n3)CC2)C1 1046076116 CCQQVGKSWURYFP-CQSZACIVSA-N 316.409 -0.411 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)c2nc(O)nc(O)c2OC)C1 1047597785 ZURSDOJMZNJELW-IUCAKERBSA-N 324.337 -0.801 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CSCC#N)C1 1048302487 SUXHRHRICQZVHC-VWYCJHECSA-N 310.379 -0.567 30 20 DBED CN(C(=O)C#CC1CC1)[C@H]1CN(C(=O)[C@H]2CCCOC2)C[C@@H]1O 1048821404 NCHFULIJQNDCDV-KKUMJFAQSA-N 320.389 -0.144 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CC(=O)N(C)C)C1 1048869128 IQZVYNCMVGPCLZ-RYUDHWBXSA-N 311.382 -0.539 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1O 1049407632 JHVNLCUNOHVOEJ-XBFCOCLRSA-N 322.409 -0.340 30 20 DBED N#CCN1C[C@@H]2CCCN(C(=O)c3nnc(O)nc3O)[C@@H]2C1 1050088125 VDZNDDIQVLSXDH-DTWKUNHWSA-N 304.310 -0.657 30 20 DBED C#CCCN1CCOC[C@H]1CNC(=O)c1cn2c(n1)COCC2 1050982316 PNGMIPYPCKRZQA-CYBMUJFWSA-N 318.377 -0.133 30 20 DBED CC(=O)NCC(=O)N1C[C@H](CNC(=O)C#CC(C)C)[C@@H](C)C1 1051823772 DCJQEDQOMXNYJF-JSGCOSHPSA-N 307.394 -0.007 30 20 DBED C#CCN1CCN([C@@H]2CCN(C(=O)c3cc(=O)n(C)o3)C2)CC1 1052019460 ZRYICDACVNENSV-CYBMUJFWSA-N 318.377 -0.556 30 20 DBED CC#CCN1CCN([C@H]2CCN(C(=O)c3cnon3)C2)CC1 1052100092 ZBAKFEQHRVJGEX-ZDUSSCGKSA-N 303.366 -0.075 30 20 DBED C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1CNC(=O)C(N)=O 1052385442 SSCSZHQFIVVUED-RKDXNWHRSA-N 303.322 -0.804 30 20 DBED C#CCN1CCC[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)CC1 1052428995 LCYFJNBPSVONKA-CYBMUJFWSA-N 318.377 -0.849 30 20 DBED C[C@H]1CC(=O)N[C@@H](C(=O)N[C@@H]2COC3(C2)CN(CC#N)C3)C1 1053804887 JEQZGFOWIBSVJP-GRYCIOLGSA-N 306.366 -0.616 30 20 DBED C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1NCc1nc(O)n[nH]1 1054588233 PZGRYHIEHRWUNG-KCJUWKMLSA-N 315.337 -0.040 30 20 DBED Cc1cc(C#N)nc(N2CCN(C(=O)[C@H]3CCC(=O)N3)CC2)n1 1055746016 HTCOOHVODARFAB-GFCCVEGCSA-N 314.349 -0.416 30 20 DBED N#Cc1nccnc1N1C[C@H]2[C@H](NC(=O)[C@@H]3CCNC3=O)[C@H]2C1 1056356362 UAJCTJNICXFRQM-SVDPJWKOSA-N 312.333 -0.965 30 20 DBED C#CCNC(=O)CC(=O)N(CCO)CCNC(=O)[C@@H](C)C1CC1 1057390624 ITILGCBYPDVAHL-LBPRGKRZSA-N 323.393 -0.891 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)Cc1cncnc1 1057454977 ZVJPZWUYWZQANT-UHFFFAOYSA-N 318.377 -0.384 30 20 DBED CC[C@@H]1CCO[C@@H]1C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N 1057967002 YEEJNPFWFYTPOK-XQQFMLRXSA-N 311.382 -0.102 30 20 DBED CC(C)[C@H](C(=O)N(CCO)CCNC(=O)[C@H](C)C#N)N(C)C 1058250904 NIVZHYCIDSNNDU-CHWSQXEVSA-N 312.414 -0.331 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@@H]1CCN(C(=O)C(N)=O)C1 1060275472 JYVQMIQKPZWSSQ-UTUOFQBUSA-N 309.366 -0.582 30 20 DBED N#Cc1cncc(N[C@@H]2CC[C@H]3CN(C(=O)C(N)=O)C[C@H]32)n1 1060554649 ZZDYJGCIIUGXCA-JMJZKYOTSA-N 300.322 -0.518 30 20 DBED Cn1cnc(C(=O)NC[C@H]2CCN(c3ccc(C#N)nn3)C2)n1 1061582831 KMCGKCJQGYKUJE-SNVBAGLBSA-N 312.337 -0.267 30 20 DBED C=CCCC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1CCC(=O)NC1 1061695222 YOEMIIYDOZNJDB-OLZOCXBDSA-N 323.393 -0.178 30 20 DBED C=CCOCC(=O)NC1(CNC(=O)[C@H]2CC[C@H]2C(N)=O)CCC1 1063901684 NZFRHFQXKCTGSF-NEPJUHHUSA-N 323.393 -0.144 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)[C@@H]2CCN(C)C2=O)CCC1 1064086788 ROPMULNDZOMPMD-QWRGUYRKSA-N 306.366 -0.221 30 20 DBED N#Cc1cncc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)Cn2cncn2)n1 1064257446 XXOMZQQGLVPWCL-OLUVUFQESA-N 310.321 -0.667 30 20 DBED CC(C)(C)C#CC(=O)NC1(CNC(=O)[C@@H]2CNC(=O)N2)CCC1 1064272422 MOPXVOAZMPDWIU-NSHDSACASA-N 320.393 -0.128 30 20 DBED N#Cc1cnc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)c2cncnc2O)cn1 1064310504 WQUTVRWRLJPZEZ-YDEJPDAXSA-N 323.316 -0.149 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCO[C@H](CNC(=O)c2cnn[nH]2)C1 1065092917 OFWZGUFBYAQQFU-YGRLFVJLSA-N 323.353 -0.911 30 20 DBED C=C(C)CCC(=O)N1CCO[C@@H](CNC(=O)Cn2cncn2)C1 1065223757 GEUURGGFPUCZSL-ZDUSSCGKSA-N 321.381 -0.022 30 20 DBED CC(C)(C)C#CC(=O)NC[C@@H]1CN(C(=O)c2nc[nH]n2)CCO1 1065447600 RKMMDZGBLZMLSP-LLVKDONJSA-N 319.365 -0.189 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)C2(C(N)=O)CC2)CCO1 1065543848 GZHQNJLEBUMOTB-GFCCVEGCSA-N 321.377 -0.601 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)Cc2cncnc2)C1 1065556947 LTORIQDOFIONQH-AAEUAGOBSA-N 317.349 -0.478 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H](NC(=O)C2(NC(N)=O)CC2)CC1 1066066450 MQIQUSGUQIPBLP-GHMZBOCLSA-N 321.381 -0.156 30 20 DBED C[C@H](Nc1ccc(C#N)nn1)[C@@H]1CN(C(=O)CC(N)=O)CCO1 1068227986 SCLXANWYDXAQAP-ONGXEEELSA-N 318.337 -0.749 30 20 DBED COCC(=O)NC1(CNC(=O)c2ccc(C#N)[nH]2)CCOCC1 1069943893 PAMZRHAHMOFYBO-UHFFFAOYSA-N 320.349 -0.072 30 20 DBED Cc1c(C(=O)N2C[C@H]3C[C@@H]4CN(CC#N)C[C@]3(C2)O4)nnn1C 1070780478 VRXKIARVWBMPRT-LALPHHSUSA-N 316.365 -0.438 30 20 DBED C=CCCN1C[C@H]2C[C@@H]3CN(C(=O)c4nnn(C)n4)C[C@@]3(C1)O2 1070840180 RVBUHYJGOLIYOD-LALPHHSUSA-N 318.381 -0.299 30 20 DBED CC#CCN1CC[C@@]2(C1)CN(C(=O)Cn1nccn1)C[C@H](C)O2 1071174168 UOZWZPDZJKFLKG-GOEBONIOSA-N 317.393 -0.007 30 20 DBED C#CCCN1CC[C@@]2(C1)CN(C(=O)Cn1cncn1)C[C@H](C)O2 1071237857 DPEWLDRJAHCRME-GOEBONIOSA-N 317.393 -0.007 30 20 DBED CC#CCN1C[C@H](NC(=O)c2nnc(O)nc2O)CC[C@H]1C 1071651983 LACJJQHFVVNUFK-NXEZZACHSA-N 305.338 -0.111 30 20 DBED C=CCOCC(=O)N1C[C@H](C)[C@H](NC(=O)CNC(=O)CC)C1 1071808572 IZGQJQJVQPRONY-NWDGAFQWSA-N 311.382 -0.322 30 20 DBED C=CCOCC(=O)N1C[C@H](C)[C@@H](NC(=O)CS(C)(=O)=O)C1 1071808817 LTSCCVBVRCHXES-QWRGUYRKSA-N 318.395 -0.803 30 20 DBED C[C@@H]1CC[C@@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)CN1CC#N 1071968347 UHKIHBUTKTZLKA-GHMZBOCLSA-N 321.381 -0.191 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC2(CCN(CC(N)=O)C2)C1 1073050915 FCBAYOMLWFBARQ-JSGCOSHPSA-N 307.394 -0.013 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)c3cnc(O)n3C)C[C@@H]21 1074312773 RRRCBYHCKONWFS-STQMWFEESA-N 304.350 -0.326 30 20 DBED COc1ncc(C(=O)N2CC[C@H]3OCCN(CC#N)[C@@H]3C2)cn1 1074377444 KSUIMXITVFIXNJ-CHWSQXEVSA-N 317.349 -0.076 30 20 DBED N#CCN1CCO[C@H]2CCN(C(=O)CCN3CCCC3=O)C[C@@H]21 1074403611 YPMQAMKGOBCYSZ-KBPBESRZSA-N 320.393 -0.176 30 20 DBED C#CCCCC(=O)N1CC[C@@H](NC(=O)Cn2ncnn2)C[C@@H]1C 1075003445 DCPIOKQXGYOVME-QWHCGFSZSA-N 318.381 -0.028 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3nncn3CC2)C1 1077412035 HKFGKGVNOUKEFF-MGPQQGTHSA-N 317.393 -0.585 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2ccnc3[nH]c(CC)nc23)C1 1077434692 XJVPWHRKLNVSSC-VXGBXAGGSA-N 313.361 -0.072 30 20 DBED C[C@@H](CCNC(=O)C1(C(N)=O)CC1)NC(=O)CSCC#N 1078111421 WRRJVKJXSJSGIJ-VIFPVBQESA-N 312.395 -0.480 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H](N(C)C(=O)CNC(N)=O)CC1 1078814725 DDYZOQXGAKLVFP-QWRGUYRKSA-N 309.370 -0.346 30 20 DBED C=CCCC(=O)N1CCC2(CC1)CN(C(=O)C(N)=O)CCO2 1079144065 BXUYSCSQCHCWGS-UHFFFAOYSA-N 309.366 -0.342 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)[C@H]2CNC(=O)N2)C1 1080386502 NWQVNIJUKMVCFT-CMPLNLGQSA-N 324.381 -0.682 30 20 DBED C#Cc1ccc(C(=O)N2C[C@@H](O)[C@H](CNC(=O)COC)C2)cn1 1081180233 BRVTZNQQDYQALB-TZMCWYRMSA-N 317.345 -0.742 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2nocc2C)C[C@@H]1O 1081343516 DCVADKJQPZFYAG-NEPJUHHUSA-N 323.349 -0.265 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2conc2C)C[C@H]1O 1081344478 QNGCSAYLJMXDDT-WCQYABFASA-N 323.349 -0.265 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cn(C)cn2)C1 1081408907 TVCRLENTXYIIRO-WCQYABFASA-N 322.365 -0.828 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)c2[nH]nnc2C)C[C@@H]1O 1081440016 XFIZRNGLTQHIMR-NEPJUHHUSA-N 319.365 -0.534 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1O 1081444755 MQRMQLQJCHKWGG-CHWSQXEVSA-N 319.365 -0.983 30 20 DBED C=CC(C)(C)CC(=O)NC[C@H]1CN(C(=O)CC(N)=O)C[C@H]1O 1081516926 KTBWMDGXEPDHOD-WDEREUQCSA-N 311.382 -0.600 30 20 DBED C#CCN1C[C@@H](NC(=O)c2ccnc3c2CC(=O)N3)[C@H](OC)C1 1081895112 SYPZUOIMPGODEH-CHWSQXEVSA-N 314.345 -0.362 30 20 DBED C=CCOCC(=O)N1CCCC[C@H]1CNC(=O)CNC(N)=O 1081958096 VRFIPONWFXPPEK-NSHDSACASA-N 312.370 -0.645 30 20 DBED C=C(C)CN[C@@H]1CN(C(=O)C2CC3(C2)NC(=O)NC3=O)C[C@H]1C 1082800749 ZDGQUPGICGKOSB-QZCIIZHISA-N 320.393 -0.013 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)Cc2cnccc2OC)C1 1083565300 LHCMBMSBLPYOGS-KGLIPLIRSA-N 303.362 -0.183 30 20 DBED Cn1nnc(CN[C@H]2C[C@H](CNC(=O)c3cc(C#N)c[nH]3)C2)n1 1086336505 CBZPVIISZYNTTF-HOMQSWHASA-N 314.353 -0.292 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2ccnc3ccnn23)[C@@H](O)C1 1090324043 ULMVHCJQXZSTFV-JSGCOSHPSA-N 313.361 -0.082 30 20 DBED CC#CCN1CC[C@@H](NC(=O)C(C)(C)N2CCOCC2)[C@H](O)C1 1090641415 PFWPROPLVIRGDX-HUUCEWRRSA-N 323.437 -0.328 30 20 DBED N#Cc1ccc(N[C@H]2C[C@@H](CNC(=O)Cn3cnnn3)C2)nc1 1091311094 SHRHENIQQMADII-TXEJJXNPSA-N 312.337 -0.053 30 20 DBED C#CCN1C[C@@H]2CN(C(=O)Cn3ccc(O)nc3=O)C[C@]2(C)C1 1091830253 QXVUAMBVDJEHER-WBMJQRKESA-N 316.361 -0.638 30 20 DBED C=CCN1CC2(C[C@H](NC(=O)Cn3cncn3)c3nccn32)C1 1092409917 FADWKVIVBJXOAZ-LBPRGKRZSA-N 313.365 -0.067 30 20 DBED CCC(=O)NCC(=O)NC1[C@H]2CN(c3ccnc(C#N)n3)C[C@H]12 1093236580 YYBHLSFGXSQCRO-UWVGGRQHSA-N 314.349 -0.575 30 20 DBED N#CCSCC(=O)NCCNc1ncc([N+](=O)[O-])c(N)n1 1093526524 JUHOKUVRUNTYJO-UHFFFAOYSA-N 311.327 -0.248 30 20 DBED CCCS(=O)(=O)CC(=O)NCCNc1cncc(C#N)n1 1093645409 CZZOUWBLDJUHRK-UHFFFAOYSA-N 311.367 -0.299 30 20 DBED N#Cc1nc(=NCCNC(=O)c2coc(C(N)=O)c2)cc[nH]1 1094020083 LWXWBDXQRBFJEN-UHFFFAOYSA-N 300.278 -0.696 30 20 DBED CNC(=O)C1(C(=O)NCCCN=c2cc[nH]c(C#N)n2)CCC1 1094517506 VAEJWLAEQAWNBR-UHFFFAOYSA-N 316.365 -0.395 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)c3ccnnc3C)CC2=O)C1 1094753457 LINKJKMKQYITHP-GFCCVEGCSA-N 313.361 -0.567 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)c3nocc3C)CC2=O)C1 1094800906 FQKRHTVONGRIGA-LLVKDONJSA-N 302.334 -0.369 30 20 DBED CC(=O)N(C)CC(=O)N1CC[C@@H](Nc2nccnc2C#N)C1 1095019824 GLGGIFORTLUEBJ-LLVKDONJSA-N 302.338 -0.161 30 20 DBED C[C@H](CC(N)=O)C(=O)N[C@@H]1CCCN(c2cnc(C#N)cn2)C1 1096218629 KIXRKGFMDQLCOM-GHMZBOCLSA-N 316.365 -0.055 30 20 DBED CCC(=O)NCC(=O)N[C@@H]1CCN(c2ccnc(C#N)n2)C1 1096330584 HIFGHPVRGPSZBC-SNVBAGLBSA-N 302.338 -0.431 30 20 DBED C[C@H](CC(N)=O)C(=O)N[C@H]1C[C@H](Nc2cnc(C#N)cn2)C1 1097086682 URDIIIODSHTUOJ-OPRDCNLKSA-N 302.338 -0.081 30 20 DBED C#CCCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cn1cnc(C(N)=O)n1 1097104657 IMKJYMVKLVFFQY-UTUOFQBUSA-N 316.365 -0.878 30 20 DBED Cc1nc(N[C@@H](C)CNC(=O)Cn2cnnn2)ccc1C#N 1097696164 KUIRPXQJEVXXEQ-VIFPVBQESA-N 300.326 -0.135 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H](C)Nc1cncc(C#N)n1 1097768325 KEOARFDBZQSSEQ-SNVBAGLBSA-N 300.322 -0.596 30 20 DBED Cn1cccc(C(=O)N2CCC(N(CC#N)CCO)CC2)c1=O 1098536854 RCPWMJYVEPKIFQ-UHFFFAOYSA-N 318.377 -0.192 30 20 DBED Cc1nn[nH]c1C(=O)N1CC[C@H](n2cc(CNCC#N)nn2)C1 1098697766 LEPQAANBGXPMQZ-NSHDSACASA-N 315.341 -0.595 30 20 DBED CCCNC(=O)CN1CC[C@H](NC(=O)C#CC(C)C)[C@H](O)C1 1099821464 VEGPEIWUEFGLJT-UONOGXRCSA-N 309.410 -0.277 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CCc2nccn2C)[C@H](O)C1 1099928102 IHXHAILTFZFCJX-ZIAGYGMSSA-N 304.394 -0.073 30 20 DBED C=CCC(C)(C)C(=O)N[C@H]1CCN(Cc2nnn(C)n2)C[C@@H]1O 1100020965 VUZZEMZKSHEGBM-RYUDHWBXSA-N 322.413 -0.136 30 20 DBED CCn1nncc1C(=O)NCCN(C)c1ccc(C#N)nn1 1100052353 MJUHVAJGSTUIPM-UHFFFAOYSA-N 300.326 -0.174 30 20 DBED Cc1cc(C#N)nc(N(C)CCNC(=O)CCn2ccnn2)n1 1100075445 LSNARZNFOMWUJQ-UHFFFAOYSA-N 314.353 -0.109 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)Cn2ccnc2)[C@@H](O)C1 1100136272 KKEGJKHYDMYBSS-KGLIPLIRSA-N 308.382 -0.363 30 20 DBED CCS(=O)(=O)CC(=O)NCCN(C)c1ccnc(C#N)n1 1100148089 LRZZNQYPTHJLHP-UHFFFAOYSA-N 311.367 -0.665 30 20 DBED C#CCO[C@H](C)C(=O)NCC1CC(NCCn2cncn2)C1 1100323964 RAVFHQPPZSAHMS-IYXRBSQSSA-N 305.382 -0.199 30 20 DBED CCCOCC(=O)N1C[C@H]2CN(CC(=O)NCC#N)C[C@@]2(C)C1 1101160445 PPOXQFUBHZBWNY-CJNGLKHVSA-N 322.409 -0.167 30 20 DBED CC(=O)NCC(=O)NCCN(c1nc(C)cc(C#N)n1)C1CC1 1101278817 CYXGBGCAJMJBQC-UHFFFAOYSA-N 316.365 -0.122 30 20 DBED CCN1CCO[C@@H](C(=O)N(C)CCN=c2cc[nH]c(C#N)n2)C1 1101638013 JJUSDHNBTFMVBO-GFCCVEGCSA-N 318.381 -0.639 30 20 DBED CC[C@H](CNC(=O)C[C@H](C)NC(N)=O)N=c1cc[nH]c(C#N)n1 1103196439 QODJXFPJRPLHIW-VHSXEESVSA-N 319.369 -0.476 30 20 DBED Cc1cc(=NC[C@@H](C)CNC(=O)Cn2cnnn2)c(C#N)c[nH]1 1103853837 QFDNZHRAVMRZRD-SNVBAGLBSA-N 314.353 -0.466 30 20 DBED COC[C@@H](OC)C(=O)NC[C@H](C)CN=c1cc[nH]c(C#N)n1 1104200152 NTVZKPVLFQTQDM-GHMZBOCLSA-N 307.354 -0.404 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)C[C@H]1CCC(=O)N1 1104614362 VTVSCOKMIMXYBQ-GHMZBOCLSA-N 316.365 -0.302 30 20 DBED CNC(=O)CC(=O)NC[C@@H](O)CNc1ccc(C#N)c(C)n1 1105798704 JLYSMTVXOWHVKZ-NSHDSACASA-N 305.338 -0.713 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H](O)CNc2cnc(C#N)cn2)c1 1105808615 NMUKFNRSLAFRGS-LLVKDONJSA-N 311.305 -0.249 30 20 DBED Cc1nnc(CC(=O)NC[C@@H](O)CNc2ccc(C#N)nn2)o1 1105816220 SXEZWHMJXXTJLC-JTQLQIEISA-N 317.309 -0.829 30 20 DBED Cc1cc(=NC[C@H](O)CNC(=O)c2ncccn2)c(C#N)c[nH]1 1105933693 BGYINIIMBVSEQC-LBPRGKRZSA-N 312.333 -0.324 30 20 DBED C[C@]1(C(=O)NC[C@@H](O)CN=c2cc[nH]c(C#N)n2)CCCOC1 1105955505 PREQAZVLFSDYSL-NHYWBVRUSA-N 319.365 -0.524 30 20 DBED CN(C)[C@@H](C(=O)NC[C@@H](O)CNc1cnc(C#N)cn1)C1CC1 1105995442 SYOHOPIPNMARBV-GXTWGEPZSA-N 318.381 -0.423 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](O)CNC(=O)c2cncn2C)n1 1106011148 LCIZQOFTBXCKQN-NSHDSACASA-N 315.337 -0.407 30 20 DBED C[C@]1(C(=O)NC[C@@H](O)CNc2ccc(C#N)nc2)CNC(=O)C1 1106028253 PBBJRDXWZNDVTP-SWLSCSKDSA-N 317.349 -0.632 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)[C@@]23COC[C@@H]2C3)nn1 1106145091 HFQDLRNPYJHOSP-PXWWUCIGSA-N 303.322 -0.726 30 20 DBED C[C@H](CCNc1nccnc1C#N)NC(=O)Cn1cncn1 1106333595 MJZBEAWSSRHMNH-SNVBAGLBSA-N 300.326 -0.053 30 20 DBED CNC(=O)NCC(=O)N[C@@H](C)CCNc1nccnc1C#N 1106615847 KRNKTIUJKYDUIN-VIFPVBQESA-N 305.342 -0.416 30 20 DBED C=C[C@](C)(O)CC(=O)NCc1cn(C2CN(CC#N)C2)nn1 1107164091 PGJSHRONLNNZKZ-AWEZNQCLSA-N 304.354 -0.398 30 20 DBED CC[C@H](NC(C)=O)C(=O)NC/C=C\CN=c1cc[nH]c(C#N)n1 1107523065 DPWHZUIOADLQCC-RXNFCKPNSA-N 316.365 -0.231 30 20 DBED C=CCOCC(=O)N[C@H](C)CNc1ncnc2c1nnn2C 1107665234 RGNIQBPMYCWWDC-SECBINFHSA-N 305.342 -0.123 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CC(=O)N(C2CN(CC=C)C2)C1 1108546136 PBQMOOXXGXUYKF-CHWSQXEVSA-N 305.378 -0.388 30 20 DBED C#CCOCCC(=O)N[C@H]1CC(=O)N(C2CN(CCC)C2)C1 1108546303 UDYSBVYTIWDDKH-ZDUSSCGKSA-N 307.394 -0.162 30 20 DBED C=C(C)C[C@@H](C)C(=O)N[C@H]1CC(=O)N(C2CN(CCO)C2)C1 1108567116 VYHREAUZTJMKGZ-OLZOCXBDSA-N 309.410 -0.018 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)CN(CC)CC)CC2=O)C1 1108581685 XAWCIZJSRTYDIB-CYBMUJFWSA-N 306.410 -0.637 30 20 DBED CS(=O)(=O)NCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC#N 1109364134 QIBYSUKSPCGGLZ-VWYCJHECSA-N 300.384 -0.829 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@]1(C)CCNC1=O 1109714614 QLKSZWGNMQDXQV-FHIRATQRSA-N 319.405 -0.116 30 20 DBED CNC(=O)NCC(=O)N[C@H]1[C@H]2C[C@H]1N(c1ncccc1C#N)C2 1109743536 UYJKWJZMTBSAJK-LOWVWBTDSA-N 314.349 -0.424 30 20 DBED CO[C@@H](C)C(=O)N[C@@]1(CO)CCCN(c2ccc(C#N)nn2)C1 1111336264 MAVFPYAIHMJDFK-NHYWBVRUSA-N 319.365 -0.169 30 20 DBED N#Cc1nccnc1NCC1CC(NC(=O)CCNC(N)=O)C1 1112840358 VTJLNOGSXFZHDO-UHFFFAOYSA-N 317.353 -0.287 30 20 DBED CC[C@@H](C)[C@@H](OC)C(=O)N1CCN(CC(=O)NCC#N)CC1 1113044130 LNLPKQVWNXWBCK-TZMCWYRMSA-N 310.398 -0.169 30 20 DBED CC1(C)CO[C@H](CC(=O)N2CCN(CC(=O)NCC#N)CC2)C1 1113094315 QXAKKLKKEJWBJO-CYBMUJFWSA-N 322.409 -0.024 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)c2cn(C)c(O)n2)CC1 1113297995 ROQGZTXFEALIBM-LLVKDONJSA-N 321.381 -0.426 30 20 DBED C[C@@H](Cc1cnc[nH]1)C(=O)N1CCN(CC(=O)NCC#N)CC1 1113417702 RHAZJRAIZPMUGL-LBPRGKRZSA-N 318.381 -0.628 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H](C)N(C)c1ccnc(C)n1 1113566908 DWBICSQEAWXUMW-NSHDSACASA-N 303.366 -0.135 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3cc(C#N)c[nH]3)[C@H]2C1 1114103964 SZBIIXJSWUMJHX-JYAVWHMHSA-N 311.345 -0.704 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)c3ccn(C)c3)[C@@H]2C1 1114137999 AHVVPFFRSZKBBJ-IACUBPJLSA-N 314.389 -0.177 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)c3ncc[nH]3)[C@H]2C1 1114236830 BGRDQVNMQNMWBY-WYUUTHIRSA-N 301.350 -0.792 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)[C@@H]3[C@H]4COC[C@H]43)[C@H]2C1 1114714503 TZZSQBYVGNTWTF-UQFQIWMKSA-N 319.405 -0.384 30 20 DBED C[C@H](CN(C)C(=O)CS(C)(=O)=O)Nc1nccnc1C#N 1115632609 QMGHKIQQYWYEKO-SECBINFHSA-N 311.367 -0.348 30 20 DBED C=CCn1cc(CNC(=O)CS(=O)(=O)CCOC)nn1 1118153760 FQEGDEHGNSOWGX-UHFFFAOYSA-N 302.356 -0.859 30 20 DBED C=CCN(C(=O)C(=O)N[C@H]1CCN(S(C)(=O)=O)C1)C(C)C 1118299733 NWZQXDTWKNNPSA-NSHDSACASA-N 317.411 -0.441 30 20 DBED C[C@H](CN1CCOCC1)NC(=O)C(=O)N1CCC[C@@H](CC#N)C1 1118590268 FIWFXSGSISAZQJ-KGLIPLIRSA-N 322.409 -0.024 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)N2CCO[C@@H](C(F)F)C2)C1 1119007544 KIVBLTXERMOQBI-RNCFNFMXSA-N 317.292 -0.644 30 20 DBED C=C(C)[C@@H]1OCC[C@H]1Cn1nnnc1N1CCC(O)(CO)CC1 1120114394 IXLOVOHGBKSLAS-STQMWFEESA-N 323.397 -0.022 30 20 DBED Cc1cc(=N[C@H](CO)CNC(=O)c2cn(C)nn2)c(C#N)c[nH]1 1121433083 UIEWSQPSBDKOPU-NSHDSACASA-N 315.337 -0.985 30 20 DBED C=CCOCCNC1CC2(C1)CC(NC(=O)[C@@H]1CNC(=O)N1)C2 1121654546 WZVOEJOAGCFIFC-KSISSFPLSA-N 322.409 -0.113 30 20 DBED CCCCn1nnnc1CNCCNC(=O)CSCC#N 1123799482 TYCVWHXNDVFNCN-UHFFFAOYSA-N 311.415 -0.064 30 20 DBED CN(C[C@@H](O)CNc1nccnc1C#N)C(=O)[C@@H]1[C@H]2COC[C@H]21 1124654242 MNHDWQOLBIRBTG-MEWQQHAOSA-N 317.349 -0.528 30 20 DBED C=CCOCC(=O)NCCNCC(=O)Nc1c(C)nn(C)c1C 1124773113 NBGRWEOOPXPSHI-UHFFFAOYSA-N 323.397 -0.116 30 20 DBED CN(C[C@@H](O)CNc1cnc(C#N)cn1)C(=O)Cc1cnc[nH]1 1124787089 WBRUKBHICLRSPO-LBPRGKRZSA-N 315.337 -0.455 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)c1ncccc1C 1125424442 HZXUEQHTCVYTOK-UHFFFAOYSA-N 319.365 -0.279 30 20 DBED CC(C)(C)[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)CNC(N)=O 1125763007 KSXCLVWOIAOTJN-VIFPVBQESA-N 319.369 -0.619 30 20 DBED COCCCNC(=O)[C@H](C)NCCNC(=O)c1ccc(C#N)[nH]1 1125818540 KKJXKPXFVOLXEV-NSHDSACASA-N 321.381 -0.253 30 20 DBED C#CCNC(=O)CC(=O)NCCN[C@@H](C)C(=O)NC(C)(C)C 1125997589 BIRDFEQYASDQTA-NSHDSACASA-N 310.398 -0.865 30 20 DBED CCN(CC)CC(=O)N1C[C@H](n2ccnn2)[C@H](NCC#N)C1 1130054843 SFRFXVGUZICLHZ-OLZOCXBDSA-N 305.386 -0.515 30 20 DBED C[C@H]1CC[C@H](NC(=O)c2cnsn2)CN1CC(=O)NCC#N 1131849382 RXQWKCPNTYSHCW-UWVGGRQHSA-N 322.394 -0.239 30 20 DBED C[C@H](C(=O)NCCNCC(=O)NCC#N)N(C)CC(F)(F)F 1132791058 QIZYDHRMWXAHOV-SECBINFHSA-N 323.319 -0.785 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)c1ccn(C)c1C 1133493236 XXAXIUFLWZDMSN-UHFFFAOYSA-N 321.381 -0.335 30 20 DBED C#CCCN[C@@H](C)C[C@H](C)NC(=O)Cn1cnc(C(N)=O)n1 1134401805 WWLBXNVDCBOBEM-QWRGUYRKSA-N 306.370 -0.727 30 20 DBED C[C@@H](C[C@H](C)NC(=O)C1CCN(C)CC1)NCC(=O)NCC#N 1135391216 RGWULUQEIPYHBY-STQMWFEESA-N 323.441 -0.159 30 20 DBED C#CCN1CCC2(C1)CN(C(=O)CCNC(=O)[C@H]1CCCO1)C2 1148911120 ZKZAEUJTWRXUNR-CQSZACIVSA-N 319.405 -0.161 30 20 DBED C#CCNC(=O)CN1CCCO[C@H](CNC(=O)CC(C)C)C1 1149109073 HQFJVZGCKNPGSJ-CQSZACIVSA-N 309.410 -0.011 30 20 DBED C#CCNC(=O)CNCCNC(=O)COc1ccccc1C 1149703719 VIFDPKVBZYYTSU-UHFFFAOYSA-N 303.362 -0.171 30 20 DBED CC#CCN1CCCO[C@H](CNC(=O)C[C@@H]2CCC(=O)N2)C1 1150434671 CWGBUAWGNWXEEQ-UONOGXRCSA-N 307.394 -0.115 30 20 DBED COCC#CCN1CCCO[C@H](CNC(=O)Cc2nc[nH]n2)C1 1150580767 ZZRMDVQUWFUDRS-CYBMUJFWSA-N 321.381 -0.796 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@H](C1CC1)N1CCOCC1 1151814756 KWPKBUMKAPXLRW-HNNXBMFYSA-N 324.425 -0.895 30 20 DBED C=CCN(CC)[C@H](C)CNC(=O)[C@@H](C)NC(=O)Cn1cnnn1 1156330748 RAYVPHDYXLSCKM-VXGBXAGGSA-N 323.401 -0.810 30 20 DBED CC(C)CNC(=O)NC(=O)CNCCCNC(=O)C#CC1CC1 1157682347 CILILCCNQSQQGD-UHFFFAOYSA-N 322.409 -0.023 30 20 DBED COCC#CCNCC1(CCNC(=O)[C@H](C)NC(N)=O)CC1 1164251981 BIWLHQQYZWFXBZ-LBPRGKRZSA-N 310.398 -0.431 30 20 DBED C#CCO[C@H](C)C(=O)NCCC1(CN[C@@H]2CCNC2=O)CC1 1164505271 WADKYVXIQKLGSS-CHWSQXEVSA-N 307.394 -0.211 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)Cc1ncccc1F 1164588787 UXVUSILJWDVHAP-GFCCVEGCSA-N 320.368 -0.003 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NCCCNCC(=O)NC1CC1 1167685897 ZGWQLAMNSZWAJZ-AWEZNQCLSA-N 324.425 -0.168 30 20 DBED C=CCn1cc(C(=O)NCCCNCc2nncn2C)nn1 1167839107 UAQPHMKIBBVBJB-UHFFFAOYSA-N 304.358 -0.498 30 20 DBED C#CCNC(=O)CNCCCNC(=O)CNC(=O)C(CC)CC 1177643618 QKUJXASZIMYACH-UHFFFAOYSA-N 324.425 -0.616 30 20 DBED COCC#CCN[C@H]1CCN(C(=O)[C@H]2CCN(C)C2=O)[C@H]1C 1179365243 WYACDDJVYJQZIG-IHRRRGAJSA-N 307.394 -0.307 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2n[nH]cc2C)C1 1182388089 AEDVKCBSXPARGQ-VXGBXAGGSA-N 303.366 -0.340 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](CNCC(=O)NC)[C@@H](C)C1 1184388293 WFDLPTDXJPTPFZ-KBPBESRZSA-N 309.410 -0.154 30 20 DBED C=CCCCN[C@@H]1CCN(C(=O)CNS(=O)(=O)NC)C1 1184619061 LXJPVOBECAJYJC-LLVKDONJSA-N 304.416 -0.803 30 20 DBED C=CCNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)c2cnco2)C1 1184686666 XVHVVDAIEMXLFS-SNVBAGLBSA-N 321.337 -0.510 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)[C@@H]3CCCOC3)[C@@H]2C1 1187198270 CXRHDBHCHVFBMP-RRFJBIMHSA-N 319.405 -0.305 30 20 DBED COCC#CCN(C)[C@@H]1CCN(C(=O)[C@H]2CCCC(=O)N2)C1 1190818213 PIVIYXXTYFYCSJ-ZIAGYGMSSA-N 307.394 -0.162 30 20 DBED CCN(C(=O)CN1C[C@@H](O)[C@H](NC(=O)C#CC(C)C)C1)C1CC1 1192805182 UFRAFWGBKKUTLT-HUUCEWRRSA-N 321.421 -0.182 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)CCCCN2CCOCC2)C1 1196939940 NWKADEISMLDEHF-HZPDHXFCSA-N 323.437 -0.327 30 20 DBED C#CCC1(C(=O)N2CCCO[C@@H](CNCC(N)=O)C2)CCC1 1200679600 CLGHJVHZZGWVOO-ZDUSSCGKSA-N 307.394 -0.128 30 20 DBED CC[C@]1(C(=O)N2CCCO[C@H](CNCC#N)C2)CCNC1=O 1200720789 DBZRKRWYBDIJIV-DOMZBBRYSA-N 308.382 -0.367 30 20 DBED CC#CCNC[C@H]1CN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)CCCO1 1201410313 GMJNGJZIMILWNS-ZNMIVQPWSA-N 321.421 -0.059 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1C[C@@H](NCCOC)C12CCC2 1202785515 QGPNXRGXQDLJIV-CHWSQXEVSA-N 307.394 -0.211 30 20 DBED C=CCCOCC(=O)N1CCC(N[C@@H]2CCC(=O)NC2=O)CC1 1204021410 ACIPAZBYMHUVQY-CYBMUJFWSA-N 323.393 -0.035 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@H]2CC[C@H]1N(C(=O)COCC=C)C2 1204094983 JIPHKEPOLWWDFQ-QLFBSQMISA-N 319.405 -0.093 30 20 DBED CN1CC[C@@H](C(=O)N2CCC(CNCC#N)CC2)S1(=O)=O 1206556358 QRQMEACQDDYRRM-LBPRGKRZSA-N 314.411 -0.628 30 20 DBED C#CCCNCC1CCN(C(=O)CN2CC(=O)N(C)C2=O)CC1 1206870433 XCIGYDRUOJUHNB-UHFFFAOYSA-N 320.393 -0.268 30 20 DBED C#CCCNCC1CCN(C(=O)CS(=O)(=O)NC)CC1 1206934244 APMBCLSEOBPVQU-UHFFFAOYSA-N 301.412 -0.613 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)c1ccns1 1207222570 HXYKIIFJXFHKOK-NXEZZACHSA-N 307.379 -0.167 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)C(=O)Nc1cc(C)on1 1213857628 REEIDCMMXNUENA-NXEZZACHSA-N 307.310 -0.740 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CN(CCOCCO)C[C@H]1OC 1213961926 WKCXGJDCTMMPMB-BFHYXJOUSA-N 316.398 -0.598 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)CC[C@@H]2CCOC2)C[C@H]1C 1214413481 GQTPQXUFSQZENQ-RBSFLKMASA-N 321.421 -0.011 30 20 DBED COCC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CCCOC 1217374740 GMEXKMNDRFYAQF-LSDHHAIUSA-N 310.394 -0.026 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2ccccc2O)C1 1219194611 XFEXTUOURHGTGN-OCCSQVGLSA-N 319.361 -0.531 30 20 DBED C=C[C@@](C)(CC)C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[nH]2)C[C@@H]1O 1220291836 ICZUABOHTACGTG-ZETOZRRWSA-N 323.397 -0.628 30 20 DBED N#CCNC(=O)CN1CC[C@@H]2CN(C(=O)[C@H]3CC34CC4)[C@@H]2C1 1221831920 BVPBDFCOCJYWOP-JHJVBQTASA-N 302.378 -0.041 30 20 DBED C=CCNC(=O)CN1CCC(CNC(=O)CC(=O)NC)CC1 1222955947 GIRSTIRELBZZKU-UHFFFAOYSA-N 310.398 -0.747 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)c2[nH]c(O)nc2C)CC1 1227899687 IAMHWZYAKMSUNP-UHFFFAOYSA-N 321.381 -0.080 30 20 DBED CN(C)CCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCC#N 1228366006 LLGIGCRJDIGHTQ-CHWSQXEVSA-N 309.414 -0.405 30 20 DBED C#CCN1CCS(=O)(=O)[C@H](CCNC(=O)C[C@@H](C)OC)C1 1230437215 XEMPHVKCJDDOEK-CHWSQXEVSA-N 316.423 -0.350 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)c1cccn1C 1230762007 DTXGKBAORFOPPT-CYBMUJFWSA-N 302.378 -0.079 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C[C@H]1CCN1CCS(C)(=O)=O 1234225965 QADLHWJYZOTTGF-QWHCGFSZSA-N 316.423 -0.398 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)N2CCOC3(CCC3)C2)C1 1261486449 YEAACLHPFUEWPO-AWEZNQCLSA-N 307.350 -0.355 30 20 DBED CCn1cnc(C(=O)N2CCC[C@@H]2CNCC(=O)NCC#N)c1 1270293389 PMFDTLLBWKFKRK-GFCCVEGCSA-N 318.381 -0.263 30 20 DBED CS(=O)(=O)[C@H]1CCC[C@@H](NC(=O)C(=O)NCCCC#N)C1 1323384581 ZQRLQFANWUMKGR-MNOVXSKESA-N 315.395 -0.122 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)NCC1(S(C)(=O)=O)CC1 1323667612 AUPDUBFNPSIQNV-UHFFFAOYSA-N 310.375 -0.835 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2CC[C@@](F)(C#N)C2)C1=O 1325093931 RRYIMOREQFWGOW-IAQYHMDHSA-N 322.340 -0.304 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N1CC[C@@H](OCCOC)C1 1325869000 WLEKBZYBMGFQQN-CYBMUJFWSA-N 314.382 -0.089 30 20 DBED C#CC1CCN(C(=O)C(=O)N2CC[C@H]3NC(=O)CC[C@H]3C2)CC1 1328258168 GXQHAIKUMWCSJI-UONOGXRCSA-N 317.389 -0.015 30 20 DBED O=S1(=O)CC[C@@H](NN=Cc2cn(C[C@H]3CCCO3)nn2)C1 1329730779 HZGWIWWRYGDKND-ZYHUDNBSSA-N 313.383 -0.432 30 20 DBED C#CCONC(=O)[C@@H]1CCCCN1C(=O)c1ccc(O)nn1 1331263313 MZNJYJDTAHUWBB-NSHDSACASA-N 304.306 -0.142 30 20 DBED C=C[C@H](CO)NC(=O)C(=O)Nc1ccc(O[C@H]2CC(=O)N2)cc1 1333502816 FVEGDRAYRODAKH-RNCFNFMXSA-N 319.317 -0.487 30 20 DBED C=CCn1c(CCO)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1342415536 LARKLXVYHUVTAX-JTQLQIEISA-N 302.400 -0.132 30 20 DBED C#CCC[C@H](O)CNC(=O)NC1CCN(S(C)(=O)=O)CC1 1344520104 VCTIJWQJWINQKE-LBPRGKRZSA-N 317.411 -0.516 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)C(=O)N2CC(OCC(F)F)C2)C1 1348690033 WQEVRFXNPSVBBF-CYBMUJFWSA-N 317.292 -0.644 30 20 DBED C[C@H](C(=O)N1CCC(N2CCNC2=O)CC1)n1cnc(C#N)n1 1362064366 JTAGDMGRYZIOPJ-SNVBAGLBSA-N 317.353 -0.273 30 20 DBED C[C@@H]1C[C@H](NC(=O)CCn2cc(C#N)c(O)nc2=O)CCO1 1362488517 PPJHIRDAFVAOKP-MWLCHTKSSA-N 306.322 -0.106 30 20 DBED CC1(C)CNC(=O)[C@@H]1NC(=O)CNC(=O)c1ccc(C#N)cc1 1362691730 WQHMHINNEUUMEW-ZDUSSCGKSA-N 314.345 -0.071 30 20 DBED C[C@H](NC(=O)NCCn1cnc(C#N)n1)[C@@H](O)C(F)(F)F 1369787517 XEIQOEQTGZWUAR-POYBYMJQSA-N 306.248 -0.239 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@@H]1CCN(C(=O)CCn2cnnn2)C1 1372089051 PDWHCDLZCNURGQ-WDEREUQCSA-N 305.342 -0.718 30 20 DBED CNC(=O)c1ccc(CNC[C@H](O)CNC(=O)[C@H](C)C#N)cc1 1374588226 DIQFWDYHKNQRRY-RISCZKNCSA-N 318.377 -0.227 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CN(C)C(=O)COc1cccnc1 1384245487 LIQRUBXGSSXUMU-NEPJUHHUSA-N 320.349 -0.444 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]1CNC(=O)CCS(C)(=O)=O 1389685580 AUGLZALRHJGUGA-ZJUUUORDSA-N 301.368 -0.702 30 20 DBED CC[C@@H](CNC(=O)c1ncn(C)n1)NC(=O)c1cc(C#N)c[nH]1 1390438886 HIWIPTLKTZQYCL-JTQLQIEISA-N 315.337 -0.047 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CCN(C(=O)Cn2ccccc2=O)C1 1397647021 ADEDOUSEEHPEBG-STQMWFEESA-N 316.361 -0.027 30 20 DBED CC(=O)N(C)CC(=O)NCC1CCN(C(=O)[C@@H](C)C#N)CC1 1407358536 CTRIMPXOBAVSFC-NSHDSACASA-N 308.382 -0.021 30 20 DBED COC(=O)NCC(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 1407464876 MKKMEANNVRNHPX-SNVBAGLBSA-N 319.321 -0.427 30 20 DBED CC[C@@H](NC[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCO1)C(N)=O 1407847141 XHBOOKPIBFAAFT-VXGBXAGGSA-N 319.365 -0.419 30 20 DBED C[C@@H](CNC(=O)CN1CCCNC1=O)CNC(=O)[C@H](C)C#N 1409719324 PPGVKFGIJIVMLB-WDEREUQCSA-N 309.370 -0.570 30 20 DBED CCO[C@H](CC)C(=O)NC[C@H](O)CNC(=O)c1cc(C#N)c[nH]1 1410090550 FIXCENIINFHEDF-DGCLKSJQSA-N 322.365 -0.092 30 20 DBED C[C@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)[C@H]1CCC(=O)N1C 1416849383 MRVZPGXRMYLDJR-BXKDBHETSA-N 317.349 -0.258 30 20 DBED N#Cc1cn(CC(=O)N2CCOC3(CCCC3)C2)c(=O)nc1O 1417666305 HQZSSAYZNGJZAI-UHFFFAOYSA-N 318.333 -0.008 30 20 DBED CC(=O)N1CC(C(=O)N(CCNC(=O)[C@H](C)C#N)C2CC2)C1 1429944577 MBZZQCDOSTZTTA-SNVBAGLBSA-N 306.366 -0.268 30 20 DBED N#Cc1cn(CCC(=O)N2C[C@H]3C[C@]3(CO)C2)c(=O)nc1O 1433915959 NQFNTMMRKGTXTM-QMTHXVAHSA-N 304.306 -0.949 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NCc2nnc3n2CCOC3)CC1 1446161837 PYNPFLXBOWDEFR-JTQLQIEISA-N 304.354 -0.294 30 20 DBED CCn1cc(CC(=O)NC[C@@H](O)CNC(=O)[C@@H](C)C#N)cn1 1452404231 FYRBZRNFDQHSLZ-CMPLNLGQSA-N 307.354 -0.802 30 20 DBED Cc1ccnc2nc(C(=O)NCCN(C)C(=O)[C@H](C)C#N)nn12 1496575795 MGOJQMXDUXGRSC-SECBINFHSA-N 315.337 -0.219 30 20 DBED C=C(C)Cn1c(CCO)nnc1N1CCS(=O)(=O)CC1 1523951888 RZQYRINISLPBCG-UHFFFAOYSA-N 300.384 -0.376 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@H](CC(C)C)NC)CC1 1574707286 QOQYMPRIPZHWEN-HNNXBMFYSA-N 322.453 -0.096 30 20 DBED CN[C@@H](CC(C)(C)C)C(=O)NCCn1cc(C#N)c(O)nc1=O 1578589498 BNZIQXCNGOJGPI-NSHDSACASA-N 321.381 -0.039 30 20 DBED C#CC1(O)CN(S(=O)(=O)c2ccsc2-c2nn[nH]n2)C1 1588333411 PPFVVLOLHZEMJW-UHFFFAOYSA-N 311.348 -0.703 30 20 DBED C=CC[C@@H](C(=O)OC)N1CCS(=O)(=O)C[C@@H]1CC(=O)O 1588731050 CHLOWLSVFCKIKD-UWVGGRQHSA-N 305.352 -0.322 30 20 DBED OCC#CCNC[C@H](O)COc1ccccc1-c1nn[nH]n1 1593521600 MYIQRJMTBCAALC-NSHDSACASA-N 303.322 -0.808 30 20 DBED Oc1cccc(/C=N\CCn2cnc(-c3nn[nH]n3)n2)c1O 1593539945 LGWGPQJZCSHVTN-MLPAPPSSSA-N 300.282 -0.012 30 20 DBED O=C(O)Cn1cccc1C=NN=c1nc2[nH][nH]cc-2c(O)n1 1595158097 MEHCHCHFYITEKT-UHFFFAOYSA-N 301.266 -0.236 30 20 DBED C[C@@H](O)[C@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)C(=O)O 1599844128 ZBTUQTJYPIPOIB-PELKAZGASA-N 305.290 -0.762 30 20 DBED C#CC1(O)CN([C@@H](C)C(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 1602690468 CUJAHQZRHZDCIY-JTQLQIEISA-N 312.333 -0.126 30 20 DBED C[C@](C#N)(CC(=O)O)C(=O)N1CCN([S@@](C)(=N)=O)CC1 1602780494 IJDRGJCHMOXFLT-BIBXISHDSA-N 302.356 -0.273 30 20 DBED C=CCNC(=O)CN1CCC2(C1)CN(C(=O)[C@@H]1C[C@@H]1C(=O)O)C2 1602901240 CXXFRPVOOKMHBJ-NEPJUHHUSA-N 321.377 -0.456 30 20 DBED C[C@H](C(=O)N1CC(n2cc(C(=O)O)nn2)C1)n1cnc(C#N)n1 1603141199 XXMJJCCIPAOSJH-SSDOTTSWSA-N 316.281 -0.916 30 20 DBED COC(=O)[C@@H]1CC[C@H](C(=O)O)CN1S(=O)(=O)CCCC#N 1606387359 JDMMETYDXSADND-UWVGGRQHSA-N 318.351 -0.042 30 20 DBED N#Cc1cc(C(=O)O)cn([C@H]2CCN(CC(=O)O)C2=O)c1=O 1608195602 DEEXIVBWZQXZPE-VIFPVBQESA-N 305.246 -0.724 30 20 DBED C#CCNC(=O)CNC[C@H]1CCCN1C(=O)Cc1cc[nH]n1 1715208364 QHNRKSCQIYOOIH-CYBMUJFWSA-N 303.366 -0.718 30 20 DBED N#CCSCC(=O)NC[C@@H]1CCCN([C@H]2CCNC2=O)C1 1752777071 JUWOTYJGKMQRKO-RYUDHWBXSA-N 310.423 -0.040 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCN(CC(=O)N(C)C)C1CC1 1753155962 LZNYMIULTVFGQW-HNNXBMFYSA-N 320.437 -0.247 30 20 DBED C=CCNC(=O)CNC[C@@H](C)CNC(=O)c1cnnc(O)c1 1753620962 ZFGDMJCSEZSHFM-SNVBAGLBSA-N 307.354 -0.560 30 20 DBED CNS(=O)(=O)CCC(=O)N1CCC[C@H]([C@H](C)NCC#N)C1 1753794880 TXHUWOHPUQZVJA-RYUDHWBXSA-N 316.427 -0.334 30 20 DBED C=CCOCC(=O)N1CC[C@H]2[C@@H](CCN2CC(=O)NC(N)=O)C1 1753873852 XZHKLMAIUTWIQH-RYUDHWBXSA-N 324.381 -0.693 30 20 DBED C=CCCNCC[C@H](C)NC(=O)Cn1ccc(=O)n(C)c1=O 1753985768 WOEIMPWSRKKTCT-LBPRGKRZSA-N 308.382 -0.393 30 20 DBED C#CCNC(=O)CNC[C@H](C)NC(=O)[C@@H](C)c1c(C)n[nH]c1C 1754289009 NLOUXPMIABDPSW-QWRGUYRKSA-N 319.409 -0.026 30 20 DBED Cc1c(CC(=O)N(C)CCCNCC(=O)NCC#N)cnn1C 1754377523 ZPCQDCYRLLKZEJ-UHFFFAOYSA-N 320.397 -0.651 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CNC(=O)c1cc(CCC)[nH]n1 1754499955 IXKXPVUZCSFVON-CYBMUJFWSA-N 317.393 -0.084 30 20 DBED C#CCNC(=O)CNC[C@@H]1CCCN1C(=O)CCn1cccn1 1754606479 RSTLSGPAQPQWPA-AWEZNQCLSA-N 317.393 -0.397 30 20 DBED C#CCN(C(=O)[C@@H](OC)C1CC1)C1CCN(CC(N)=O)CC1 1754636826 ZTKPJQJFCBBCEK-HNNXBMFYSA-N 307.394 -0.177 30 20 DBED C#CCN(C(=O)C[C@@H]1NC(=O)NC1=O)C1CCN(CC#N)CC1 1754639174 YJFKMXNTTZEICW-LBPRGKRZSA-N 317.349 -0.966 30 20 DBED C#CCNC(=O)CN[C@@H](C)[C@H]1CCN(C(=O)CN(C)CCC)C1 1754805811 UEELHJMKSGMBDW-GJZGRUSLSA-N 322.453 -0.096 30 20 DBED COCC#CCN1CCc2c(CNC(=O)C(N)=O)cccc2C1 1754975610 FHXTTXWPFQGOMB-UHFFFAOYSA-N 315.373 -0.204 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@H]1CCC2(CN(CC(N)=O)C2)O1 1755054475 OLDOOGKXRGMZLS-RISCZKNCSA-N 311.382 -0.852 30 20 DBED C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)N(C)CC(=O)NCC#N 1755302497 CNPBJXQSYIXOPN-IJLUTSLNSA-N 318.381 -0.411 30 20 DBED CC#CCN1CC(CCO)(NC(=O)[C@@H](CC)N2CCCC2=O)C1 1755338406 UEJHRLUQZOYRDE-CQSZACIVSA-N 321.421 -0.036 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C[C@@H](C)NCCN1CCNC1=O 1755587174 XRNJZTUMWOHSOZ-OLZOCXBDSA-N 310.398 -0.514 30 20 DBED Cc1cccn2cc(CC(=O)NC[C@@H](CO)NCC#N)nc12 1755642046 OALMYCZWTBJZPP-ZDUSSCGKSA-N 301.350 -0.225 30 20 DBED COCC#CCN[C@H]1C[C@H](C)N(C(=O)CCn2cncn2)C1 1755670402 QRQOYXUPUHOVNL-KBPBESRZSA-N 305.382 -0.103 30 20 DBED C#CCCNC[C@@H](O)CN(C)C(=O)[C@@]1(C)CCN(C(C)=O)C1 1755791330 KVTSHIUAZGWKQL-ZBFHGGJFSA-N 309.410 -0.323 30 20 DBED CC#CCN(C)C[C@H](O)CN(C)C(=O)Cn1nnnc1C(C)C 1755806454 GFQNIWBXPVGPOM-ZDUSSCGKSA-N 322.413 -0.429 30 20 DBED CCn1ncc(C(=O)NCCOCCN(C)C(=O)[C@@H](C)C#N)n1 1756373588 HRBYXWGFLSILOJ-NSHDSACASA-N 322.369 -0.338 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@H](CO)CNC(=O)c1nocc1C 1756568145 MRVZDMGSOVLCRY-HZMBPMFUSA-N 311.338 -0.483 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)C1(COC)CC1)CCO2 1783046771 OSPOUHUSHSSRTQ-INIZCTEOSA-N 306.362 -0.124 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)Cc1nnc(C)o1)CCO2 1783049512 CBVBADHSILHOJG-HNNXBMFYSA-N 318.333 -0.616 30 20 DBED C#CC(=O)N[C@H]1CCc2nc(NC(=O)CCC(N)=O)sc2C1 1825187782 SVKWXECAHRJBFQ-QMMMGPOBSA-N 320.374 -0.046 30 20 DBED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CC#N)CCO2 1834760151 HXGUTRQHHSWQBF-AWEZNQCLSA-N 306.322 -0.730 30 20 DBED CC(C)(C#N)C(=O)N1CCCC12CN(C(=O)[C@@H]1CNC(=O)C1)C2 1841139015 OWNCRBFDTLLEKA-NSHDSACASA-N 318.377 -0.124 30 20 DBED C[C@H](S)C(=O)N1CC2(CCCN2C(=O)c2cnnn2C)C1 1842135034 RGTXSRNOGFSGTH-VIFPVBQESA-N 309.395 -0.050 30 20 DBED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)c2cncnc2)C1 1842485822 LGEHJKXTXNIGKT-UHFFFAOYSA-N 314.301 -0.618 30 20 DBED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)Cn2ccnc2)C1 1842510211 BDORDRLCNLPOMQ-UHFFFAOYSA-N 316.317 -0.826 30 20 DBED N#CCSCC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 46230418 BCGSPUXXCHEHDE-UHFFFAOYSA-N 324.406 -0.464 30 20 DBED C=CCNC(=O)NC(=O)CN(C)CC(=O)Nc1cc(C)on1 46763552 RZEGDDCWOYKGRP-UHFFFAOYSA-N 309.326 -0.135 30 20 DBED CCN(CCC#N)CC(=O)NCCCN(C)S(C)(=O)=O 81055749 TZWBVPSXVCPMCL-UHFFFAOYSA-N 304.416 -0.380 30 20 DBED N#Cc1cc(F)ccc1NC(=O)C(=O)N1CC[C@@H](C(N)=O)C1 175979565 LEMJCNPOEHZFCK-MRVPVSSYSA-N 304.281 -0.030 30 20 DBED CN1CCN(C(=O)CCNS(=O)(=O)CC2(C#N)CC2)CC1 183815488 XTMNNUBXEJUXGM-UHFFFAOYSA-N 314.411 -0.626 30 20 DBED C=CCNC(=O)NC(=O)Cn1cnc2c(N(C)C)ncnc21 195523638 HVFWOEUPWZCJGM-UHFFFAOYSA-N 303.326 -0.096 30 20 DBED CO/N=C/c1ccc(C(=O)N2CCN(CC(N)=O)CC2)cc1 264140173 GCCXRTBCLZOOEH-LICLKQGHSA-N 304.350 -0.090 30 20 DBED C[C@@H]1CN(C(=O)C(=O)Nc2cccc(C#N)c2)C[C@H](C(N)=O)O1 268518057 YHZAHIWCIZCXME-BXKDBHETSA-N 316.317 -0.402 30 20 DBED C=CCN(CCC#N)[C@@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O 292220153 PALQAQLLMCYAAG-JTQLQIEISA-N 319.365 -0.361 30 20 DBED C#CCNC(=O)CN1C(=O)CN(c2cccc(C(=O)O)c2)C1=O 321508412 NUQCQUYTSGWUQF-UHFFFAOYSA-N 315.285 -0.097 30 20 DBED N#Cc1ccccc1OC[C@@H](O)CN1CCC(O)(C(N)=O)CC1 323303651 COIYIRWHUMAIDF-ZDUSSCGKSA-N 319.361 -0.390 30 20 DBED C[C@@H](C#N)NC(=O)CCC(=O)N1CCN(c2ncccn2)CC1 331113725 JWKSMRVCCMSAQC-LBPRGKRZSA-N 316.365 -0.066 30 20 DBED Cn1cc(N2CCC[C@H](NC(=O)Cn3cnc(C#N)n3)C2)cn1 331474392 NATIESZUAKRNMG-NSHDSACASA-N 314.353 -0.332 30 20 DBED CS(=O)(=O)N1CCN(S(=O)(=O)CC2(C#N)CC2)CC1 332026849 WONPGTBSCKSFQB-UHFFFAOYSA-N 307.397 -0.803 30 20 DBED CS(=O)(=O)N1CCC[C@@H](NS(=O)(=O)CC2(C#N)CC2)C1 332149534 IIJQHUBZSTUTIE-SNVBAGLBSA-N 321.424 -0.366 30 20 DBED Cc1nccn1CCCNS(=O)(=O)N1CCO[C@H](C#N)C1 336931356 ZXCWZDQRCWOZOR-GFCCVEGCSA-N 313.383 -0.360 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@@H]1CCCN(C)C1=O 337072817 PRPGQRGCKXIWGE-LLVKDONJSA-N 318.399 -0.696 30 20 DBED CCN1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)[C@H](C)C1=O 337128912 BASFTYUFSZPIMO-GHMZBOCLSA-N 316.383 -0.992 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@@H]1C[C@H](O)C1(C)C 337164526 XTMMBBPQBLOVKB-MNOVXSKESA-N 305.400 -0.158 30 20 DBED Cc1cc(NC(=O)C(=O)NC[C@](C)(O)C(C)C)nn1CCC#N 349284704 SKRONXGSVFXDJV-HNNXBMFYSA-N 321.381 0.567 30 20 DBED C=C[C@H](CO)NC(=O)CCc1c(C)nc2nc(N)nn2c1C 356857339 RGSVZNJJZZANBH-SNVBAGLBSA-N 304.354 -0.081 30 20 DBED CN(CC#N)S(=O)(=O)CCCS(=O)(=O)NCC1CC1 356881847 SNBKVSDSGRZXHL-UHFFFAOYSA-N 309.413 -0.509 30 20 DBED CC#CCCNC(=O)N1CCN(C(=O)C(=O)NC(C)C)CC1 361635160 DGLYMEQEAUXUQM-UHFFFAOYSA-N 308.382 -0.222 30 20 DBED Cn1nnc(CNC(=O)C(=O)N2CCc3ccc(C#N)cc32)n1 427911288 CLAVLNXDLUBCCA-UHFFFAOYSA-N 311.305 -0.713 30 20 DBED C=CCCCS(=O)(=O)N1CCC2(CC1)NC(=O)NC2=O 489104206 JCIKDSKAPHOCAH-UHFFFAOYSA-N 301.368 -0.044 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)C2(CCOC)CC2)CC1 491513087 AMWIAPRRBDZLAE-UHFFFAOYSA-N 307.394 -0.303 30 20 DBED N#Cc1cc(F)c(S(=O)(=O)N[C@@H](CO)C(=O)O)c(F)c1 548536279 YMBBUVRPEVGEOM-QMMMGPOBSA-N 306.246 -0.440 30 20 DBED Cn1cc([C@@H]2CN(CC(=O)NC3(C#N)CCC3)C[C@H]2CO)cn1 553907457 LFOZYSMHFDESGI-KBPBESRZSA-N 317.393 -0.010 30 20 DBED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCOCCN2)cc1 597707959 UNFTWCFIQZHYDU-UHFFFAOYSA-N 324.362 -0.800 30 20 DBED C=CCNC(=O)NC(=O)CSc1nnc(CCOC)n1N 742458769 KCXCOCRHCOJEGD-UHFFFAOYSA-N 314.371 -0.715 30 20 DBED C#CCNC(=S)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 758182770 DDVIRVFCXGJOQO-LLVKDONJSA-N 301.437 -0.701 30 20 DBED COCCNC(=O)[C@@H](C#N)C(=O)c1cn(CCOC)nc1C 782581500 MSMWOKRSAMYACC-NSHDSACASA-N 308.338 -0.077 30 20 DBED C#CCOCCNC(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 784249025 MEIZMLCEJXIXHU-LLVKDONJSA-N 303.384 -0.641 30 20 DBED CNC(=O)NCCC(=O)NS(=O)(=O)Cc1cccc(C#N)c1 796818196 OOPWXAOMMNONAQ-UHFFFAOYSA-N 324.362 -0.177 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@@H]1CCN(C(C)C)C1=O)[C@H]1CCCO1 806261211 QDYQWTZQEOWJEK-YNEHKIRRSA-N 321.377 -0.591 30 20 DBED C#C[C@H](NC(=O)C(=O)NCC1(OC)CCOCC1)[C@@H]1CCCO1 807060934 IGAPLQNNBMMUJE-STQMWFEESA-N 324.377 -0.405 30 20 DBED CC(C)(CNC(=O)[C@@](C)(C#N)CC(=O)O)NS(C)(=O)=O 819948451 YIKQHVYJEJHQAS-LLVKDONJSA-N 305.356 -0.565 30 20 DBED C#CCC[C@@H](O)CNC(=O)[C@H](NS(=O)(=O)C1CC1)C(C)C 847160943 PLXBHXMEPRRAPG-DGCLKSJQSA-N 316.423 -0.017 30 20 DBED C#CCC[C@H](O)CNC(=O)CC1CCN(S(C)(=O)=O)CC1 848034809 CBGXNXZSJSTBKV-ZDUSSCGKSA-N 316.423 -0.061 30 20 DBED C#CCN1C(=O)c2ccccc2N[C@@H]1c1cn(CC(N)=O)nn1 877849298 GHOMABQLTBBAMV-AWEZNQCLSA-N 310.317 -0.037 30 20 DBED C#CC[C@H]1NC(=O)N(CCCN2CCC[C@@H](C(N)=O)C2)C1=O 927425021 NLVLJCRBJISLOP-VXGBXAGGSA-N 306.366 -0.483 30 20 DBED C#CC1(O)CN(CCC(=O)N2CCN(c3ccccn3)CC2)C1 934443388 INNLJXYCSGOCMZ-UHFFFAOYSA-N 314.389 -0.200 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CCc1nc[nH]n1 936791265 HKYFYTVSNMRUFI-VWYCJHECSA-N 302.338 -0.291 30 20 DBED C#Cc1cncc(C(=O)N2CC[C@H](NC(=O)c3cn(C)nn3)C2)c1 937904998 MFGVPNPRHSFPOY-ZDUSSCGKSA-N 324.344 -0.164 30 20 DBED O=C1NCCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)C#CC2CC2)C1 938110549 QTIYJRHTUUNVJD-STQMWFEESA-N 303.362 -0.357 30 20 DBED O=C(NC[C@@H]1CN(C(=O)C#CC2CC2)CCO1)[C@H]1CCCO1 944464549 FFTZGSKSSFWTND-ZIAGYGMSSA-N 306.362 -0.078 30 20 DBED Cc1nn(C)cc1C(=O)NC[C@H]1CN(C(=O)[C@@H](C)C#N)CCO1 944515619 JDLDEOCMROGKHH-JQWIXIFHSA-N 319.365 -0.155 30 20 DBED N#Cc1cc(C(=O)N2CC[C@H]3CN(C(=O)C(N)=O)CC[C@H]32)c[nH]1 946026479 XNVLBCMTXHHPAK-JOYOIKCWSA-N 315.333 -0.565 30 20 DBED Cn1cnc(C(=O)NC2CCN(C(=O)C#CC3CC3)CC2)n1 946690334 LXXRGESLPLOPFT-UHFFFAOYSA-N 301.350 -0.051 30 20 DBED Cn1c(C(=O)N[C@@H]2[C@H]3C[C@H]2N(C(=O)C#CC2CC2)C3)cnc1O 947721614 YHCIITFVLFPTNG-MISXGVKJSA-N 314.345 -0.132 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@@H](N2CCN(C(=O)C(N)=O)CC2)C1 956605152 ATSPYZKBCLLHMY-GFCCVEGCSA-N 322.409 -0.571 30 20 DBED N#CCN1C[C@H](CNC(=O)c2n[nH]cc2C(F)(F)F)[C@@H](O)C1 958131663 YGDHTJFYCGMBEZ-CBAPKCEASA-N 317.271 -0.025 30 20 DBED C=CCN1C[C@H](CNC(=O)c2c(C)c(C)nn(C)c2=O)[C@@H](O)C1 958309772 QPKPBPTZLFZWLN-STQMWFEESA-N 320.393 -0.394 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cnns2)C1 958663187 MLABOSRCJRTYBC-VGMNWLOBSA-N 309.351 -0.659 30 20 DBED C#CCCN1C[C@@H]2C(NC(=O)C3CC4(C3)CS(=O)(=O)C4)[C@H]2C1 960555794 SHYVIVRQDSNEMN-STQMWFEESA-N 322.430 -0.119 30 20 DBED C#CCCN1C[C@H]2[C@H](NC(=O)C3CC4(C3)CS(=O)(=O)C4)[C@H]2C1 960555797 SHYVIVRQDSNEMN-WDNDVIMCSA-N 322.430 -0.119 30 20 DBED N#CCN1C[C@@H]2C(NC(=O)c3ccc(-n4cncn4)nc3)[C@H]2C1 961438684 OKNOMFBNUNEJGA-RYUDHWBXSA-N 309.333 -0.154 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CN(C(=O)c3cnnn3C)C[C@H]2C1 961484180 IVNMJYCKMIWZBN-GARJFASQSA-N 302.338 -0.495 30 20 DBED C#Cc1cncc(C(=O)NC2[C@@H]3CN([C@H](CC)C(N)=O)C[C@@H]23)c1 961723909 UIIKURBULXLPKW-MGPQQGTHSA-N 312.373 -0.013 30 20 DBED CCn1ncc(C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2O)n1 962737891 GXVBHUJJVNAKFD-OLZOCXBDSA-N 317.349 -0.987 30 20 DBED C#CCN1CCC(C(=O)NC2[C@H]3CN(CC(=O)NC)C[C@H]23)CC1 962771644 HOKDXEHXIIUDGV-KBPBESRZSA-N 318.421 -0.876 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC2(CN(C(=O)Cc3cnoc3)C2)C1 965478631 UIPKUZRIIODAFE-NSHDSACASA-N 318.333 -0.183 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)c1cn(C)nn1 968958158 AFAUDWVCNQJGNN-MXWKQRLJSA-N 302.338 -0.210 30 20 DBED C=C(C)C(C)(C)C(=O)N1C[C@H](O)[C@H](NC(=O)c2nc[nH]n2)C1 969739898 FPUYPECKUMKHGG-ZJUUUORDSA-N 307.354 -0.292 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)c2ncccc2F)C1 970078299 RHIODYVVFLEHDP-GDPRMGEGSA-N 306.297 -0.318 30 20 DBED C#CCN[C@@H]1CCN(C(=O)c2cn(C[C@H]3CCOC3)nn2)C1 970360966 USOCFONCZLERBW-CHWSQXEVSA-N 303.366 -0.248 30 20 DBED C#CCN1CCC(C(=O)N2CC[C@@H](N[C@H]3CCNC3=O)C2)CC1 970792725 SPSDVYJGMHVKRL-CABCVRRESA-N 318.421 -0.589 30 20 DBED C=CCCN1C[C@H]2CC[C@H]1CN2C(=O)[C@@H]1CCS(=O)(=O)N1 972122388 ICKFOQBBWBKTCR-XQQFMLRXSA-N 313.423 -0.071 30 20 DBED CC#CCN1CCO[C@]2(CCN(C(=O)[C@H]3CCC(=O)NC3)C2)C1 972443105 DTCJLCLMDGTXRA-WMLDXEAASA-N 319.405 -0.161 30 20 DBED Cc1nccn1CC(=O)N[C@H]1[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]21 976550360 WLFDBJBLTPDCHQ-WUWHUORYSA-N 301.350 -0.076 30 20 DBED C#CCN1C[C@H]2[C@H](CNC(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)[C@H]2C1 978534554 ZFCMAUPREGBZDM-OSLXHZNNSA-N 304.390 -0.035 30 20 DBED C#CCN1C[C@H]2[C@H](CNC(=O)[C@H]3CCc4nnnn4CC3)[C@H]2C1 978740020 LCTUSBLWIXGQOL-XDQVBPFNSA-N 314.393 -0.447 30 20 DBED N#CCN1C[C@H]2[C@H](CNC(=O)[C@H]3CCc4nncn4C3)[C@H]2C1 979089009 NVDPJELMBZGRMW-ZDEQEGDKSA-N 300.366 -0.342 30 20 DBED C#CCN[C@@H]1CCC[C@H](NC(=O)c2cnc(O)n(C)c2=O)C1 981269459 ZQVBICIDTUHQSH-MNOVXSKESA-N 304.350 -0.250 30 20 DBED C[C@@]12CN(CC#N)C[C@]1(C)CN(C(=O)CN1CC(=O)NC1=O)C2 982652816 ZXWOPERILQSICA-GASCZTMLSA-N 319.365 -0.768 30 20 DBED CC(=O)N1CC(C(=O)NC[C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)C1 983217814 VRDDVUJEIKNBPH-JQWIXIFHSA-N 306.366 -0.411 30 20 DBED C=CCN1CC[C@H](NC[C@H]2C[C@H](NC(=O)c3cnon3)C2)C1=O 984943390 WSYGLWHDHOIPLC-SRVKXCTJSA-N 319.365 -0.046 30 20 DBED C[C@@H]1[C@H](NCC#N)CCN1C(=O)C1CC2(C1)CS(=O)(=O)C2 986422175 FRDSTGOWOFTHDC-ZYHUDNBSSA-N 311.407 -0.086 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)Cn3nccn3)C[C@H]2C1 986596258 OSXASSHDRBYDGW-UPJWGTAASA-N 316.365 -0.255 30 20 DBED C=CCn1cccc1C(=O)N1CC[C@H](NC(=O)C(N)=O)[C@H]1C 989600851 JOXIFYZUVFGMNN-MNOVXSKESA-N 304.350 -0.121 30 20 DBED CN1CCOC[C@@H]1C(=O)N1CC(NC(=O)c2cc(C#N)c[nH]2)C1 990695722 MUUURIKNRHXLTK-CYBMUJFWSA-N 317.349 -0.842 30 20 DBED CC(=O)N1CC(C(=O)N2CC(NC(=O)c3c[nH]c(C#N)c3)C2)C1 990929141 MDVHEFIUAFGWFH-UHFFFAOYSA-N 315.333 -0.695 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)c3nnn(C)n3)C[C@]2(C)C1 993265081 AVZOVKKSTWGAQP-RBZYPMLTSA-N 317.353 -0.710 30 20 DBED C#CCN1CCC[C@@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)[C@H]1C 994324349 AASYCWRRNKYICD-VXGBXAGGSA-N 320.393 -0.081 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN(C(=O)c2cnn(C)c2)C1 994753361 ZJZSBKGDHLCIAE-AWEZNQCLSA-N 315.377 -0.542 30 20 DBED COCCn1ccc(C(=O)NC2CN(C(=O)[C@@H](C)C#N)C2)n1 996858740 IPEOWGFTWIYPSN-JTQLQIEISA-N 305.338 -0.370 30 20 DBED C=C1CC(C)(C(=O)NC2CN(C(=O)[C@H]3CN(C)C(=O)N3)C2)C1 999264541 WBWZVUJADKRJSP-LLVKDONJSA-N 306.366 -0.307 30 20 DBED C#CCN[C@@H]1CCCN(C(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 999794609 SCBLXQOYVAOZHJ-YPMHNXCESA-N 301.350 -0.421 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)C(N)=O)CC[C@H]2C)nc1 1005093761 VQFSWPDLSBPMIO-ZWNOBZJWSA-N 314.345 -0.485 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CCN(C(=O)Cn3cnnc3O)[C@@H]2C1 1021428365 HSALHMOSBVKDJV-OUAUKWLOSA-N 318.337 -0.797 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCCN(CC(N)=O)C1 1023424325 UJJIDXQZYFGUAP-KBPBESRZSA-N 306.410 -0.603 30 20 DBED Cc1ncn(C)c1C(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1024171903 RNYGACRUFGGASJ-CHWSQXEVSA-N 316.361 -0.557 30 20 DBED C[C@@H](NC(=O)c1nnc(O)nc1O)[C@H]1CCCN(CC#N)C1 1025473741 HFCCOHLKNQZDPM-BDAKNGLRSA-N 306.326 -0.363 30 20 DBED C#CCN[C@@H]1CC[C@@H]2CN(C(=O)c3cn(C)c(=O)nc3O)C[C@H]21 1026419973 ZVXKZLYCOKTSCF-NQBHXWOUSA-N 316.361 -0.441 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN([C@H](C)C(=O)NC2CC2)C1 1030463548 PVTNXWHRNAIMBP-DOMZBBRYSA-N 318.421 -0.449 30 20 DBED C#CCCN1CC(CNC(=O)[C@H]2CC(=O)N(CCOC)C2)C1 1031711178 DEXBDHRQZSJHHB-AWEZNQCLSA-N 307.394 -0.447 30 20 DBED C=CCn1cc(C(=O)N2C[C@@H]3C[C@H]2CN3[C@H](C)C(=O)NC)nn1 1032669931 HLAAYZOYRFUKDH-WOPDTQHZSA-N 318.381 -0.503 30 20 DBED CC#CCN1CC[C@H]2CN(C(=O)CN3CC(=O)NC3=O)CC[C@@H]21 1036843294 DBABNPZMCPJYBH-STQMWFEESA-N 318.377 -0.516 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2CCN2CCn2cncn2)nn1 1038789034 DQBNRJIKJMXVBQ-LBPRGKRZSA-N 316.369 -0.440 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)c2cnnc(O)c2)C1 1040759165 FKCRGZVHRBQUNT-XPTSAGLGSA-N 319.321 -0.965 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)c2ccnc(F)c2)C1 1042039908 LMAPWTZOVIYFQJ-UHFFFAOYSA-N 323.324 -0.274 30 20 DBED C#CCN1CC[C@@H]2CCN(C(=O)c3cn(C)c(=O)n3C)C[C@H]21 1042371903 WLTFZIHLBGGEBZ-CHWSQXEVSA-N 302.378 -0.107 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)C[C@H]2COC(=O)C2)C1 1042558418 PMGOIRMNUPRMDP-LLVKDONJSA-N 324.377 -0.159 30 20 DBED C[C@@H](c1nnnn1C)N1CC(N(C)C(=O)c2c[nH]c(C#N)c2)C1 1042638995 YNJJNBBEPFGYAV-VIFPVBQESA-N 314.353 -0.073 30 20 DBED C#CCCCCC(=O)NCC1(O)CN(C(=O)[C@H]2CCC(=O)N2)C1 1042658503 JUIFNRJKAZYKQK-GFCCVEGCSA-N 321.377 -0.852 30 20 DBED O=C(Cc1cncnc1)NCC1(O)CN(C(=O)C#CC2CC2)C1 1042818513 QEYIMZIXARKNCG-UHFFFAOYSA-N 314.345 -0.878 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)C[C@H]2CCOC2)C1 1042937107 YIJAFPIQLGFVEZ-CYBMUJFWSA-N 308.378 -0.238 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)CO[C@H]2CCOC2)C1 1043049068 VWJFLZSKQRBWRP-ZDUSSCGKSA-N 324.377 -0.715 30 20 DBED Cc1ccnn1CC(=O)NCC1(O)CN(C(=O)C#CC(C)C)C1 1043083163 ZOGSGLKUPJDKJD-UHFFFAOYSA-N 318.377 -0.460 30 20 DBED N#Cc1nccnc1N1C[C@H](O)[C@H](NC(=O)[C@@H]2CCCCO2)C1 1043894197 WTRDQAKQLTVWMI-AGIUHOORSA-N 317.349 -0.417 30 20 DBED C=C(C)C[C@H](C)C(=O)NCC1(O)CN(C(=O)Cn2nccn2)C1 1045059193 NVWFJTLQCLMTOC-LBPRGKRZSA-N 321.381 -0.430 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2cccnn2)C1 1045236845 LVLVYOGIAOKQNJ-NSHDSACASA-N 320.349 -0.629 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2cnn3c2CCC3)C1 1047404506 SVVZQWGUVJDYBV-GJZGRUSLSA-N 302.378 -0.030 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)Cn2ccccc2=O)C1 1047624762 YRFVWXSPBQEKJG-KBPBESRZSA-N 303.362 -0.625 30 20 DBED C=CCOCC(=O)N(C)[C@H]1CN(C(=O)c2cc(C)no2)C[C@@H]1O 1048551134 CLIJBHVHGQVFAJ-RYUDHWBXSA-N 323.349 -0.171 30 20 DBED COCC1(CC(=O)N(C)[C@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)CC1 1048828389 NTDIUZLKFIPRPO-AGIUHOORSA-N 323.393 -0.007 30 20 DBED N#CCN1C[C@@H]2CCCN(C(=O)Cn3ccc(O)nc3=O)[C@@H]2C1 1050089600 NSXIJPWTPWWVHO-NWDGAFQWSA-N 317.349 -0.605 30 20 DBED CNC(=O)CC(=O)N[C@H](C)[C@@H]1CCN(C(=O)C#CC2CC2)C1 1050666133 OHIFCKNQYHIILC-DGCLKSJQSA-N 305.378 -0.111 30 20 DBED N#Cc1ccc(NC2CC(CNC(=O)[C@H]3CCC(=O)N3)C2)nn1 1051873366 KMHWPTXVJIFBOI-QEWOUOOISA-N 314.349 -0.066 30 20 DBED C=CCOCC(=O)N1C[C@@H](C)[C@@H](CNC(=O)c2nc[nH]n2)C1 1052221492 RAKOVUBMDPPLPH-MNOVXSKESA-N 307.354 -0.168 30 20 DBED C#CCN1CC2(C1)CN(C(=O)Cn1nnnc1C(C)C)CCO2 1053463455 FIBSVEFGOFRRFF-UHFFFAOYSA-N 318.381 -0.657 30 20 DBED C#CCN1CC2(CC[C@@H](CNC(=O)[C@@H]3CCN(C)C3=O)O2)C1 1053642929 OYXVQGPAFLAIAH-STQMWFEESA-N 305.378 -0.553 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)c3nc(C)c(C)[nH]c3=O)CO2)C1 1053843090 DTHWFKJUWXWDKR-GFCCVEGCSA-N 316.361 -0.407 30 20 DBED C=CCO[C@H](C)C(=O)N1C[C@@H]2CCCN(C(=O)CC(N)=O)[C@@H]2C1 1056635976 QIHAKFBOUFPXHI-FRRDWIJNSA-N 323.393 -0.098 30 20 DBED CCn1cc(C(=O)N2CC[C@@H](N=c3cc[nH]c(C#N)n3)C2)nn1 1056690610 SCQQGVJSMQUVRJ-SNVBAGLBSA-N 312.337 -0.292 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)c1cnn(C)c1 1056936135 QQBHAQVHKAGROV-UHFFFAOYSA-N 306.366 -0.370 30 20 DBED C#CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)[C@H](C)COC 1057191945 IWERGAUQEFQVBA-OLZOCXBDSA-N 314.382 -0.756 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)C1=COCCC1 1057193357 FPMPHHWWWDCFJU-UHFFFAOYSA-N 312.366 -0.180 30 20 DBED C=C[C@@](C)(O)CC(=O)N(CCO)CCNC(=O)COC(C)C 1057450600 VCTBLVSKMNUAOU-OAHLLOKOSA-N 316.398 -0.324 30 20 DBED C=C(C)C[C@H](C)C(=O)NCCN(CCO)C(=O)Cn1nccn1 1057702359 RPMCYXSOPXONFH-ZDUSSCGKSA-N 323.397 -0.183 30 20 DBED C=CCO[C@H](C)C(=O)N(CCO)CCNC(=O)c1cn[nH]c1 1057922208 ZIQKJELMPREJFA-LLVKDONJSA-N 310.354 -0.449 30 20 DBED N#Cc1nccc(N2CC[C@@H](NC(=O)CN3CCCC3=O)C2)n1 1058308199 KYYMPKDYNXDSMX-LLVKDONJSA-N 314.349 -0.334 30 20 DBED Cn1oc(C(=O)N[C@@H]2CCN(c3cncc(C#N)n3)C2)cc1=O 1058335942 JKHSOULJUVKTNG-SECBINFHSA-N 314.305 -0.351 30 20 DBED C=C[C@H](CC)CC(=O)N(CCO)CCNC(=O)c1cn(C)nn1 1058468825 RWERHLRHDAWVHQ-GFCCVEGCSA-N 323.397 -0.032 30 20 DBED Cn1ncc(C(=O)N2[C@H]3CC[C@H]2CN(c2ccnc(C#N)n2)C3)n1 1058765561 BKJWIXOOIAEYCI-QWRGUYRKSA-N 324.348 -0.030 30 20 DBED N#Cc1ccc(NC[C@@H]2CCN(C(=O)[C@H]3CNC(=O)N3)C2)nn1 1060972402 JYESOHYIZVZMRD-GXSJLCMTSA-N 315.337 -0.710 30 20 DBED C=CCOCC(=O)N1CCOC[C@@H]1CNC(=O)[C@H]1CCCO1 1061258620 IVXJAQAENHQYHK-QWHCGFSZSA-N 312.366 -0.288 30 20 DBED C=CCCC(=O)NC[C@@H]1COCCN1C(=O)CNC(=O)CC 1061407162 NKTDRTLGGJEJDE-GFCCVEGCSA-N 311.382 -0.178 30 20 DBED C=CCOCC(=O)NC[C@@H]1COCCN1C(=O)[C@@H](C)COC 1061422002 ZDOVSRQJHNSCTQ-QWHCGFSZSA-N 314.382 -0.185 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)c1ccc(O)nn1 1061845522 IMODMCLIZSGSCH-ZJUUUORDSA-N 319.321 -0.701 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)Cc1ccnn1C 1061848634 SKGHWEJJBUDIMA-DGCLKSJQSA-N 319.365 -0.534 30 20 DBED N#Cc1nccnc1N1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[C@H]1C(N)=O 1062580406 VJHDNFRNJUQLPE-MMWGEVLESA-N 312.333 -0.741 30 20 DBED C#CCNC(=O)CC(=O)NC1(CNC(=O)[C@@H](C)COC)CCC1 1062699001 ICWSGPGMGFITIN-LBPRGKRZSA-N 323.393 -0.437 30 20 DBED CCC(=O)NCC(=O)N1CCO[C@H](CNC(=O)C#CC(C)C)C1 1064983232 PXNONTQTDYIENE-CYBMUJFWSA-N 323.393 -0.484 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)[C@@]2(C)CNC(=O)C2)CCO1 1065365622 KNLLHTHUURGDKX-MLGOLLRUSA-N 323.393 -0.178 30 20 DBED CNC(=O)CCCC(=O)NC[C@@H]1CN(C(=O)[C@@H](C)C#N)CCO1 1065557890 WTQAHMXLBSWSDP-NWDGAFQWSA-N 324.381 -0.594 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CCCN(C(=O)[C@H](C)C#N)CC1 1066068343 HMWOYYFDFOODLC-OLZOCXBDSA-N 318.377 -0.217 30 20 DBED Cc1cc(C#N)nc(N(C)C[C@H]2CCCN2C(=O)C(N)=O)n1 1067793122 FPBOINXCJWJKNO-LLVKDONJSA-N 302.338 -0.431 30 20 DBED C=C(C)C[C@@H](C)C(=O)N[C@@H]1COC2(C1)CN(C(=O)C(N)=O)C2 1068975924 PDIIQRQKZJVRNC-MNOVXSKESA-N 309.366 -0.440 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1COC2(C1)CN(C(=O)c1cn(C)cn1)C2 1069003361 MACGMNQQOLLLQU-GHMZBOCLSA-N 317.349 -0.321 30 20 DBED N#CCN[C@@H]1CN(C(=O)c2cnns2)C[C@@H]1n1ccnn1 1070148999 JAVIBBTXCCEJRE-BDAKNGLRSA-N 304.339 -0.692 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)[C@@]23COC[C@@H]2C3)CCOCC1 1070233960 JBULEQVVEOPBML-WQGACYEGSA-N 321.377 -0.036 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CCC(=O)N2)C1 1071047251 JBBZCIAAJWTZHI-XQQFMLRXSA-N 323.393 -0.037 30 20 DBED CC(=O)NCC(=O)N1C[C@@H](C)[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 1071495584 IPCNJXKHARMNSE-RNCFNFMXSA-N 317.349 -0.401 30 20 DBED CC#CCCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)Cn2ncnn2)C1 1072561183 OLIDDQHJUWNBMS-OLZOCXBDSA-N 318.381 -0.170 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC[C@@H](NC(=O)C(N)=O)C(C)(C)C1 1073479239 JNUVPXFBHCHNJO-WDEREUQCSA-N 311.382 -0.194 30 20 DBED C#CCCN1CCCO[C@H](CNC(=O)[C@H]2CN(C)C(=O)N2)C1 1073727176 VITZEEBSUOKPGF-CHWSQXEVSA-N 308.382 -0.760 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 1073772193 HXOXPJXHEVTKMB-RDBSUJKOSA-N 307.394 -0.272 30 20 DBED CC(C)(C)C#CC(=O)NCC1(O)CCN(C(=O)CC(N)=O)CC1 1074525479 XUGSITJLIICVJI-UHFFFAOYSA-N 323.393 -0.619 30 20 DBED N#CCN1C[C@@H]2CCN(C(=O)CCN3C(=O)CCC3=O)[C@@H]2C1 1076008989 QCHJDRINBXKBTL-NWDGAFQWSA-N 304.350 -0.418 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2ccc3c(O)ncnc3c2)C1 1078184366 DGKSFCUUIWHKKY-ZIAGYGMSSA-N 312.329 -0.257 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2ccnn2C)C[C@@H]1O 1081345942 BPWBSVSOUWTGST-AAEUAGOBSA-N 322.365 -0.828 30 20 DBED C=CCCC(=O)N1C[C@H](CNC(=O)c2cncn2C)[C@@H](O)C1 1081582698 LBFJDLOGCZEHBV-AAEUAGOBSA-N 306.366 -0.065 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@]2(C)CCCS2(=O)=O)[C@H](OC)C1 1082224566 PIXZADXYKFYKNH-BZPMIXESSA-N 314.407 -0.598 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CNC(=O)c3ccccc32)C1 1083527417 RZPFBPSZORBCPQ-KFWWJZLASA-N 313.357 -0.692 30 20 DBED N#Cc1cccc(CN2C[C@H](O)[C@H](NC(=O)c3cnn[nH]3)C2)c1 1083595802 RXIMHRDULOYGPW-KGLIPLIRSA-N 312.333 -0.349 30 20 DBED Cn1c(O)nc2ccc(C(=O)N[C@@H]3CN(CC#N)C[C@@H]3O)cc21 1084129757 YPSMWCAQYPATTH-YPMHNXCESA-N 315.333 -0.423 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)c2cccc3nnn(C)c23)C1 1084131092 XMPRWGSKJHCNSO-KGLIPLIRSA-N 313.361 -0.234 30 20 DBED N#CCN1CC[C@@H]2CN(C(=O)c3cn([C@H]4CCOC4)nn3)[C@@H]2C1 1084762628 HIISVZQEMAUANR-MBNYWOFBSA-N 316.365 -0.091 30 20 DBED C#CCN1CC[C@H]1CN(C)C(=O)c1ccc(-n2cnnn2)cn1 1085740754 AFXRBVHCGIOZEN-ZDUSSCGKSA-N 311.349 -0.163 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2ccc(C(N)=O)[nH]2)[C@@H](O)C1 1090571227 BAMAGZZNQSWPOJ-MFKMUULPSA-N 304.350 -0.698 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2cnc(O)cc2OC)[C@@H](O)C1 1090578827 YYGMXRHAJVVLMY-STQMWFEESA-N 319.361 -0.016 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2c(C)nn(C)c2OC)[C@H](O)C1 1090615819 KIPBUUPAXXKERC-QWHCGFSZSA-N 320.393 -0.075 30 20 DBED N#CCNC1CC(CNC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 1091159005 QRRINSWAHNTGQQ-CBINBANVSA-N 302.338 -0.627 30 20 DBED COCC(=O)N[C@H]1CCN(c2ccc(C#N)c(C)n2)C[C@@H]1O 1092126368 LJKHFZSGRWNUSA-STQMWFEESA-N 304.350 -0.036 30 20 DBED Cc1cc(C#N)nc(N2C[C@H]3[C@H](NC(=O)CC(N)=O)[C@H]3C2)n1 1093228939 ODMZRCNAQYHOPA-IWIIMEHWSA-N 300.322 -0.917 30 20 DBED C[C@@]1(C(=O)N2CCC(OC3CN(CC#N)C3)CC2)CCNC1=O 1093572829 SGGSVNCVJCABFD-MRXNPFEDSA-N 320.393 -0.272 30 20 DBED CC(C)C[C@H](C(N)=O)C(=O)NCCN=c1cc[nH]c(C#N)n1 1093713234 CEFYIQOUWHMECO-SNVBAGLBSA-N 304.354 -0.554 30 20 DBED CC(=O)N[C@@H](C(=O)NCCN=c1cc[nH]c(C#N)n1)C(C)C 1093766147 PIXQQWXOKNIJEN-CYBMUJFWSA-N 304.354 -0.541 30 20 DBED N#Cc1ccc(NCCNC(=O)CC(=O)NCC2CC2)nn1 1093846328 YWNGMEIIXNXQAW-UHFFFAOYSA-N 302.338 -0.207 30 20 DBED C#CCCN1CC(n2cc(CNC(=O)[C@@H]3CCCN3C)nn2)C1 1094278400 GGYODXFGNZVUIT-HNNXBMFYSA-N 316.409 -0.132 30 20 DBED Cc1cc(C#N)nc(NCCCNC(=O)CCNC(N)=O)n1 1094426785 LQPSRAUISSRABQ-UHFFFAOYSA-N 305.342 -0.367 30 20 DBED CC(C)C[C@@H](C(N)=O)C(=O)NCCCN=c1cc[nH]c(C#N)n1 1094484154 RTCNUNYVNLADJN-NSHDSACASA-N 318.381 -0.164 30 20 DBED N#Cc1cncc(NCCCNC(=O)[C@@H]2CC[C@H]2C(N)=O)n1 1094703035 HZWPQGURLWPYTB-GHMZBOCLSA-N 302.338 -0.222 30 20 DBED CC#CCN1CC(N2C[C@H](NC(=O)Cc3cc[nH]n3)CC2=O)C1 1094718072 UVSYCZNBTJEZIK-CYBMUJFWSA-N 315.377 -0.623 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)[C@@H]3CCCNC3=O)CC2=O)C1 1094747409 ROHXBWNBQXVTSA-DGCLKSJQSA-N 320.393 -0.900 30 20 DBED C#CCNC(=O)CC(=O)N1CCCN(c2nccnc2F)CC1 1095177080 KEWZMZLQPRHFGT-UHFFFAOYSA-N 319.340 -0.206 30 20 DBED CC(=O)N[C@H](C)C(=O)NC1CCN(c2nccnc2C#N)CC1 1095387655 NHCHBDDRHMVKRE-SNVBAGLBSA-N 316.365 -0.042 30 20 DBED CN1C[C@H](C(=O)NCCCN(C)c2cncc(C#N)n2)NC1=O 1095703078 DIZCFYIKNWIDAU-LLVKDONJSA-N 317.353 -0.686 30 20 DBED CN(CCCNC(=O)[C@@]1(C)CCNC1=O)c1ccc(C#N)nn1 1095735904 DOLADSSPMFRRJH-OAHLLOKOSA-N 316.365 -0.183 30 20 DBED Cc1cc(=N[C@H]2C[C@@H](NC(=O)[C@H](C)NC(N)=O)C2)c(C#N)c[nH]1 1097175346 JPWWJWWQHYUTQT-ZMLRMANQSA-N 316.365 -0.201 30 20 DBED C[C@@H](CNC(=O)Cn1cnnc1O)Nc1ncccc1C#N 1097788623 ZUJORVHTMWHFSI-VIFPVBQESA-N 301.310 -0.133 30 20 DBED CC[C@]1(C(=O)NC[C@H](C)N=c2cc[nH]c(C#N)n2)CCNC1=O 1098369816 JIGGNJVEHWSWJG-BONVTDFDSA-N 316.365 -0.397 30 20 DBED C#CCNCc1cn([C@H]2CCN(C(=O)c3ccnn3C)C2)nn1 1098629273 IZTHPGXNGVTJRE-ZDUSSCGKSA-N 313.365 -0.178 30 20 DBED N#CCNC(=O)CN1CC[C@@H](NC(=O)CC2CCCC2)[C@@H](O)C1 1099630694 QFSJOWUGXCLDNR-KGLIPLIRSA-N 322.409 -0.242 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)C(CC)CC)[C@@H](O)C1 1099696366 XHRIUADRSVNZPO-KGLIPLIRSA-N 309.410 -0.277 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2ncoc2C)[C@@H](O)C1 1099713156 UDOMGZBPSAGDFC-OLZOCXBDSA-N 307.350 -0.202 30 20 DBED CNC(=O)NCC(=O)NCC[C@@H](C)Nc1cncc(C#N)n1 1099748076 PEQPTFVRMRJDFI-SECBINFHSA-N 305.342 -0.416 30 20 DBED CC(C)C#CC(=O)N[C@H]1CCN(CC(=O)N(C)C2CC2)C[C@H]1O 1099820169 BAUNEJDXDFRZBC-LSDHHAIUSA-N 321.421 -0.182 30 20 DBED COCC1(C(=O)N[C@H]2CCN(CC#N)C[C@@H]2O)CCOCC1 1099865701 BWVZMCGSGKMCFY-STQMWFEESA-N 311.382 -0.495 30 20 DBED C#CCCN1CC[C@H](NC(=O)COCc2ccnn2C)[C@H](O)C1 1099890975 YLBAWMLLPXGIIE-LSDHHAIUSA-N 320.393 -0.489 30 20 DBED C#CCCN1CC[C@@H](NC(=O)C(=O)NCC(F)(F)F)[C@H](O)C1 1100052884 GJGNXSBGGTXWRB-NXEZZACHSA-N 321.299 -0.760 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)c2cnn(CC)c2)C1 1100198096 OCKYNHJFSVDVFN-UHFFFAOYSA-N 317.393 -0.250 30 20 DBED C=CCN1CC[C@H](NC2CC(CNC(=O)CC(=O)NC)C2)C1=O 1100273723 HCLKEJRIHIHJDU-BPCQOVAHSA-N 322.409 -0.606 30 20 DBED CCN(CCNC(=O)Cn1cnnn1)c1nc(C)ccc1C#N 1100439792 VIQQWUYRHULFEL-UHFFFAOYSA-N 314.353 -0.109 30 20 DBED C#CCNC(=O)CC(=O)N1CCC(C(C)(C)CNCCO)CC1 1101531209 ADRLOWJFKSPRDD-UHFFFAOYSA-N 323.437 -0.027 30 20 DBED C[C@H]1CN(C)C[C@H]1C(=O)N1CC(n2cc(CNCC#N)nn2)C1 1105326747 DWDDGJSCMZXZRK-SMDDNHRTSA-N 317.397 -0.528 30 20 DBED C#CCNCc1cn(C2CN(C(=O)[C@H]3CCN(C)C3)C2)nn1 1105372380 CIVSSPQASSJBLK-LBPRGKRZSA-N 302.382 -0.664 30 20 DBED C#CCCNC1CCC2(CC1)CN(C(=O)CNC(N)=O)CCO2 1105455489 UXWSDOBXTIRVAZ-UHFFFAOYSA-N 322.409 -0.192 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)C[C@H]2CCCO2)nn1 1105718272 KHJHCGYPWPPOSJ-VXGBXAGGSA-N 305.338 -0.194 30 20 DBED Cc1[nH]nc(C(=O)NC[C@H](O)CNc2nccnc2C#N)c1O 1105819746 KRAAFUOMVGPXDK-MRVPVSSYSA-N 317.309 -0.712 30 20 DBED Cc1cc(=NC[C@@H](O)CNC(=O)c2nc[nH]n2)c(C#N)c[nH]1 1105932307 FIQWHWUWWCRHHF-SNVBAGLBSA-N 301.310 -0.996 30 20 DBED CN(CC(=O)NC[C@@H](O)CNc1nccnc1C#N)C1CCC1 1106154292 HHGDHWIAZNEION-GFCCVEGCSA-N 318.381 -0.278 30 20 DBED C#CCNC[C@@H]1CN(C(=O)[C@@H](C)N2C(=O)CCC2=O)C[C@H]1C 1106207163 OWDYNUKOUTZVKH-JHJVBQTASA-N 305.378 -0.159 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)c2[nH]nnc2C)C[C@H]1C 1106511454 IPXUTKCEBAIBIE-ZYHUDNBSSA-N 318.381 -0.840 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](C)NC(=O)[C@H]2CN(C)CCO2)n1 1107667206 RHNPASJGUHUUSS-DGCLKSJQSA-N 318.381 -0.096 30 20 DBED C[C@]1(CNC(=O)[C@@H]2CCc3nn[nH]c3C2)CN(CC#N)CCO1 1108341356 YAHHEZJYTNABNC-ABAIWWIYSA-N 318.381 -0.360 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CN(C)c1nc(C)ns1 1108941300 SOZAFMUEIFZVNJ-VIFPVBQESA-N 309.395 -0.073 30 20 DBED C[C@H](CN(C)c1ccc(C#N)nn1)NC(=O)C[C@H]1CCC(=O)N1 1109007498 UBAYRLKZLWAUJN-GHMZBOCLSA-N 316.365 -0.042 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)N1CCOCC1 1109080317 QODAQXDXDOZIFN-MQYQWHSLSA-N 320.393 -0.274 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1[C@H]2C[C@H]1N(c1cnc(C#N)cn1)C2 1109704272 PTBVKRWKOJUCMF-KANYHAFZSA-N 324.344 -0.819 30 20 DBED CSCC(=O)NC[C@]1(O)CCN(c2nccnc2C#N)C1 1111031185 CRUMKNCKOFKDSH-CYBMUJFWSA-N 307.379 -0.231 30 20 DBED CC(C)(O)CC(=O)NC[C@]1(O)CCN(c2cnc(C#N)cn2)C1 1111065619 GYJSQQIBYQGSCS-OAHLLOKOSA-N 319.365 -0.433 30 20 DBED N#Cc1ccc(N2[C@H]3CC[C@@H]2C[C@H](CNC(=O)C(N)=O)C3)nn1 1111270879 OTEYYDYBUJGQMR-YHPBZONMSA-N 314.349 -0.303 30 20 DBED CN(CCCN(C)c1ccc(C#N)nn1)C(=O)c1nnn(C)n1 1112156341 IZURSSSEWRRAJB-UHFFFAOYSA-N 315.341 -0.530 30 20 DBED C=CCCO[C@@H](C)C(=O)N1CCN(CC(=O)NCC#N)CC1 1112676248 HFRGPEOITGASCH-ZDUSSCGKSA-N 308.382 -0.248 30 20 DBED CC(=O)NCC(=O)NC[C@H]1CN(c2ccc(C#N)nc2)C[C@H]1O 1112694678 JHQJMTGHWBAZAN-SMDDNHRTSA-N 317.349 -0.997 30 20 DBED COCCCC(=O)NC[C@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1112704541 FHKZGNYHVGPFOE-AAEUAGOBSA-N 319.365 -0.312 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)C[C@](C)(O)C2CC2)CC1 1112770041 ANOWJDPIIXJFMZ-DYVFJYSZSA-N 321.421 -0.180 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)[C@@H](C)Nc1cncc(C#N)n1 1112978705 OKZZYQRVYGSINJ-MNOVXSKESA-N 314.349 -0.207 30 20 DBED COCC#CCN1CCN(C(=O)[C@@H]2CCCS2(=O)=O)CC1 1113659713 BVWQANTVYRYRDO-ZDUSSCGKSA-N 314.407 -0.642 30 20 DBED C=CCCC(=O)NC1[C@@H]2CN(CCNS(C)(=O)=O)C[C@@H]12 1114026111 WHCCKUXWZQTBGL-GHMZBOCLSA-N 301.412 -0.452 30 20 DBED C=CCOCCCC(=O)N[C@H]1[C@@H]2CN([C@@H]3CCNC3=O)C[C@@H]21 1114112397 YVFMKWWXRZKXOV-COMQUAJESA-N 307.394 -0.096 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)CCc3nc[nH]n3)[C@H]2C1 1114120472 RZIFYNZSJHOJIY-JYAVWHMHSA-N 303.366 -0.567 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@H]1[C@@H]2CN(CCn3cncn3)C[C@@H]21 1114193750 HBHSTHRJCZTIDU-PAPYEOQZSA-N 305.382 -0.348 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H]1[C@@H]2CN(CC(=O)N3CCCC3)C[C@@H]21 1114262377 CMHWSTWJXLVTCF-TTZDDIAXSA-N 319.405 -0.307 30 20 DBED CC(=O)NCC(=O)N1C[C@H]2CC[C@H]1CN2c1cnc(C#N)cn1 1114379398 MIFCLZQBKPHRTO-OLZOCXBDSA-N 314.349 -0.336 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)COCC(F)F)[C@H]2C1 1114619463 WTAMMEPSNCTIRW-UWVGGRQHSA-N 317.336 -0.383 30 20 DBED CCCn1cc(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)nn1 1116433153 QMCKPXRZZVHRLT-OWBHPGMISA-N 318.337 -0.056 30 20 DBED C#C[C@H](NC(=O)C(=O)NCCC(=O)NC(C)C)[C@@H]1CCCO1 1117528565 JETZDNOSWFDPKR-RYUDHWBXSA-N 309.366 -0.686 30 20 DBED CCOCCOC1CN(C(=O)C(=O)N2CCO[C@@H](C#N)C2)C1 1117916135 VDAZVGNMMQLKLQ-NSHDSACASA-N 311.338 -0.999 30 20 DBED CC(=O)N[C@@H](C)C(=O)NC[C@H](CO)Nc1ccc(C#N)c(C)n1 1121178281 RRFXDOAHGCVWKK-GXFFZTMASA-N 319.365 -0.325 30 20 DBED Cc1cnoc1C(=O)NC[C@@H](CO)Nc1cncc(C#N)n1 1122003533 LFEJQUDNMJEUFM-JTQLQIEISA-N 302.294 -0.153 30 20 DBED C[C@@]1(C(=O)NC[C@@H](CO)Nc2ccc(C#N)nc2)CCNC1=O 1122544047 QWQIKLNAWYKTTP-SWLSCSKDSA-N 317.349 -0.632 30 20 DBED N#Cc1cncc(N[C@H](CO)CNC(=O)C2(F)CCOCC2)n1 1122746674 AWPDSGIFHPAKEO-NSHDSACASA-N 323.328 -0.244 30 20 DBED Cc1c[nH]nc1C(=O)N(C)C[C@H](O)CNc1cncc(C#N)n1 1124283602 OKQHHJCKFWCIPH-LLVKDONJSA-N 315.337 -0.075 30 20 DBED CN1CC[C@H](C(=O)N(C)C[C@H](O)CNc2nccnc2C#N)C1 1124353312 VIVIJABPGNABKH-NWDGAFQWSA-N 318.381 -0.469 30 20 DBED Cc1nonc1C(=O)N(C)C[C@@H](O)CNc1cnc(C#N)cn1 1124399816 ZXTWBKLJVQXSBJ-JTQLQIEISA-N 317.309 -0.415 30 20 DBED CC[C@@H](C(=O)N(C)C[C@H](O)CNc1nccnc1C#N)N(C)C 1124453367 AGBDEPOSMSOYCP-YPMHNXCESA-N 320.397 -0.080 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)Cc1cc[nH]n1 1125141145 HYDZLEJASZYCSO-UHFFFAOYSA-N 306.370 -0.580 30 20 DBED CC[C@@H](C(N)=O)N1CCn2ncc(CNC(=O)[C@H](C)C#N)c2C1 1128264679 PGVGKBAZIJUEMY-PWSUYJOCSA-N 318.381 -0.262 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)c2cc3n(n2)CCO3)C1=O 1129558379 WJGOFOHSYLZOSE-NSHDSACASA-N 319.365 -0.618 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)c2cnc3n2CCC3)C1=O 1129762639 PRHOPKQMRFNKEY-LBPRGKRZSA-N 317.393 -0.064 30 20 DBED C=C(C)CCC(=O)N1C[C@H](n2ccnn2)[C@H](NCC(N)=O)C1 1129884943 XBBCVPWSFJRBGR-NEPJUHHUSA-N 306.370 -0.539 30 20 DBED COCC#CCNCCNC(=O)C1CC2(C1)CS(=O)(=O)C2 1130233955 KUQWZSILKWXZQZ-UHFFFAOYSA-N 314.407 -0.833 30 20 DBED CCC[C@H](OC)C(=O)N1CCC(=O)NCCN(CC#N)CC1 1131374282 SDFGOZYEYWTSIJ-ZDUSSCGKSA-N 310.398 -0.024 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1ccc2cncn2c1 1131375074 QKEIKHZOOIHWPI-GFCCVEGCSA-N 313.361 -0.208 30 20 DBED N#CCNC(=O)CNCCNC(=O)[C@@H]1C[C@H]1c1cccnc1 1134139633 YJBSTVVSOHXSDW-QWHCGFSZSA-N 301.350 -0.469 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)Cc1cncnc1 1134218275 BJBGPWUGPKNVLM-CHWSQXEVSA-N 317.393 -0.359 30 20 DBED C=CCOCCN1CCCO[C@@H](CNC(=O)CC(=O)NC)C1 1149599967 NNRZBJUJHMUGQW-ZDUSSCGKSA-N 313.398 -0.468 30 20 DBED C=CCNC(=O)CN1CCCO[C@@H](CNC(=O)c2cnon2)C1 1150462617 ZVAUYGGRJGVHQP-NSHDSACASA-N 323.353 -0.808 30 20 DBED C=C(C)CN1CCCO[C@H](CNC(=O)CS(=O)(=O)NC)C1 1150731888 UDPSTALYBAECMY-GFCCVEGCSA-N 319.427 -0.681 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)[C@H](C)OCC#C 1153306253 GLNWUCGJFZHZJG-KGLIPLIRSA-N 307.394 -0.399 30 20 DBED C=CCN(CC=C)C(=O)CNCCCNC(=O)[C@H](C)NC(C)=O 1154382976 ZGWYQDWJOLCHQM-ZDUSSCGKSA-N 324.425 -0.193 30 20 DBED COCC#CCNCCCNC(=O)CCNC(=O)[C@@H]1C[C@@H]1C 1159240066 FLYAEQWEKCWDAP-UONOGXRCSA-N 309.410 -0.106 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCC1(CNCC(N)=O)CC1 1165545187 FINLWYCUJPCRDU-ZDUSSCGKSA-N 306.410 -0.555 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)c1ccc(=O)n(C)n1 1175400798 IJDNQWWPNDFALI-NSHDSACASA-N 321.381 -0.820 30 20 DBED C[C@H](CCCCNCC#N)NC(=O)CS(=O)(=O)N(C)C 1176383179 APGXWKIKHGVBSR-LLVKDONJSA-N 304.416 -0.334 30 20 DBED CC#CCN1CCO[C@@H]2CCN(C(=O)CCNC(=O)NC)C[C@@H]21 1176999878 KUAULFWTWKRCRH-UONOGXRCSA-N 322.409 -0.370 30 20 DBED C#CCCN1CCO[C@H]2CCN(C(=O)C(=O)NCC3CC3)C[C@@H]21 1177124978 LXEYAONJLUNDFK-GJZGRUSLSA-N 319.405 -0.162 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@]2(C)CCNC(=O)C2)C1 1183593557 ZDEHUNPYUOJHCK-WBMJQRKESA-N 322.409 -0.605 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2csc(O)n2)C1 1185035915 SSEBGCSPKJAAII-VHSXEESVSA-N 322.390 -0.209 30 20 DBED C#CCNC(=O)CNC[C@H]1CCN(C(=O)c2cnon2)C[C@H]1C 1185335723 FDVQNAIPJNZOMI-VXGBXAGGSA-N 319.365 -0.493 30 20 DBED C#CCNC[C@@H]1CN(C(=O)c2nc[nH]n2)CC12CCOCC2 1186522151 QVEJESBDPJACQC-GFCCVEGCSA-N 303.366 -0.104 30 20 DBED C=CCNC(=O)CN1C[C@@H]2CCN(C(=O)CNC(=O)OC)[C@@H]2C1 1187038153 JFGWOVLHFPZLPG-NWDGAFQWSA-N 324.381 -0.823 30 20 DBED CN([C@H]1CCN(C(=O)CSCC#N)C1)[C@@H]1CCC(=O)NC1=O 1188958053 CNWXEDBEDRPSFL-WDEREUQCSA-N 324.406 -0.419 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)CCSC)C1 1190929988 HTZGSSFKXQWKAV-IJLUTSLNSA-N 313.423 -0.961 30 20 DBED C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)CS(C)(=O)=O)C1 1191530168 LXIQKGQOIIQUEE-CHWSQXEVSA-N 318.439 -0.061 30 20 DBED C#CCCCCC(=O)N[C@@H]1CN([C@@H]2CCCNC2=O)C[C@H]1O 1192321001 PNNQOBPECASFJF-MGPQQGTHSA-N 307.394 -0.380 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(Cc2nnc(C)o2)C[C@H]1O 1192529812 HJMUNFPTXXBIGB-GYSYKLTISA-N 310.354 -0.634 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)c2cn3c(n2)CCC3)C1 1193076790 ZVJUZJGZHGKYSV-TZMCWYRMSA-N 318.377 -0.746 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2conc2CC)C1 1195949032 UIBWBIGVTPHIKS-CHWSQXEVSA-N 322.365 -0.686 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)CNC(=O)c2cscn2)C1 1197551745 RJNVSORPOGRONH-ZYHUDNBSSA-N 322.390 -0.943 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)CCNC(=O)c2ccco2)C1 1198451213 QKUZHYUTAGULJD-VXGBXAGGSA-N 307.350 -0.253 30 20 DBED C=CCOCC(=O)N1CCC(N[C@@H](C)C(=O)NC(N)=O)CC1 1199776269 BXNAPBIVYRFAOL-JTQLQIEISA-N 312.370 -0.647 30 20 DBED C#CCOCCC(=O)N1CCC(NCCN2CCNC2=O)CC1 1200523561 USNLAAMXZWULAC-UHFFFAOYSA-N 322.409 -0.368 30 20 DBED C=C(C)CCNC1CCN(C(=O)CNC(=O)CNC(C)=O)CC1 1201314259 QCHSATOAYMRKTN-UHFFFAOYSA-N 324.425 -0.215 30 20 DBED C#CCCNC[C@H]1CN(C(=O)CCc2cnn(C)n2)CCCO1 1201420739 OKDXYUXFZLLZMD-HNNXBMFYSA-N 319.409 -0.022 30 20 DBED N#CCNC[C@H]1CN(C(=O)CNC(=O)c2ccco2)CCCO1 1201999495 YBASYPMCXMXWHL-LBPRGKRZSA-N 320.349 -0.260 30 20 DBED C=CCNCC1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)CC1 1206460178 VHRRURINRCINMD-UHFFFAOYSA-N 320.393 -0.288 30 20 DBED N#CCSCC(=O)N1CCC[C@H](N[C@@H]2CCC(=O)NC2=O)C1 1207410765 WLABCIVQQDQJPO-WDEREUQCSA-N 324.406 -0.371 30 20 DBED C=CCCC(=O)N[C@@H]1CN([C@H](C)C(=O)NC(N)=O)C[C@H]1OC 1212024028 GSRMYWJMEBMTSR-GMTAPVOTSA-N 312.370 -0.649 30 20 DBED C#CCN1C[C@@H](NC(=O)C(C)(C)CN2CCOCC2)[C@H](OC)C1 1212458295 DQZFLGBZIQITJC-HUUCEWRRSA-N 323.437 -0.207 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)C[C@H]2COC(=O)C2)C[C@H]1C 1214441257 HEPAHDUDSZNUEJ-JHJVBQTASA-N 323.393 -0.322 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C 1214464336 VOIQKISKONBAPD-BXUZGUMPSA-N 313.361 -0.314 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@H](OCC)C2CC2)C[C@H]1C 1214643317 MSQLOEKQOBGMQV-XNRPHZJLSA-N 321.421 -0.013 30 20 DBED C#CCN[C@@H]1CN(C(=O)CCCN2C(=O)CCC2=O)C[C@H]1C 1214777742 HQCWIJVRHLYCHP-CHWSQXEVSA-N 305.378 -0.015 30 20 DBED C[C@@H]1CN(C(=O)[C@]2(C)CCOC2)C[C@H]1NCC(=O)NCC#N 1216065562 RKENEJLFEGBZLE-LALPHHSUSA-N 308.382 -0.511 30 20 DBED C=CCCCC(=O)N[C@@H]1CN(CCN2CCNC2=O)C[C@@H]1O 1220247562 HSHXZGBCLYWIRS-OLZOCXBDSA-N 310.398 -0.471 30 20 DBED C=CCNC(=O)CN1CC[C@@H]2CN(C(=O)Cn3ccnc3)[C@@H]2C1 1222094132 WAXAROASNYSLGS-ZIAGYGMSSA-N 317.393 -0.282 30 20 DBED N#CCN1CCS(=O)(=O)[C@H](CCNC(=O)c2cc[nH]n2)C1 1230422087 GAZDVULCDQCGNI-SNVBAGLBSA-N 311.367 -0.848 30 20 DBED CN(C[C@H]1CCN1CC(=O)NCC#N)C(=O)[C@H]1CC1(F)F 1234089949 WMZXOBXIUCMADE-NXEZZACHSA-N 300.309 -0.186 30 20 DBED C#CCOCCC(=O)N(C)C[C@H]1CCN1CC(=O)N1CCC1 1234256236 VMEOKFMJNYXVDM-CQSZACIVSA-N 307.394 -0.209 30 20 DBED C#CCCN1CC[C@H]1CN(C)C(=O)CN(C)S(C)(=O)=O 1234975902 ROZDPSMWMFBTFW-LBPRGKRZSA-N 301.412 -0.566 30 20 DBED C=CCNC(=O)CN1CC[C@H]1CN(C)C(=O)C[C@@H]1CCNC1=O 1235283260 WPPVWYGAZHMMRL-STQMWFEESA-N 322.409 -0.653 30 20 DBED CNC(=O)[C@@]1(C)CCN(C(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)C1 1261449922 NPZGBAPGASQDOE-RWSFTLGLSA-N 306.366 -0.221 30 20 DBED C=CCS(=O)(=O)CCNC(=O)NC1CCN(CC#N)CC1 1320014891 AQVKZDISSFDWDW-UHFFFAOYSA-N 314.411 -0.126 30 20 DBED C#CCC[C@H](O)CNC(=O)C(=O)Nc1cccc2c1CNC2=O 1323042511 QWCOMMDIZILMFY-JTQLQIEISA-N 315.329 -0.241 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1C[C@@H]2C[C@]2(CO)C1 1324180684 JGZFZGFQSPSHDC-LMOYCYGVSA-N 308.378 -0.075 30 20 DBED COCCN1CC[C@H](NC(=O)C(=O)N2CCC[C@@](C)(C#N)C2)C1 1324420256 PRQMPHWRHMORBH-BBRMVZONSA-N 322.409 -0.024 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCC[C@H](c2cc[nH]n2)C1 1324877216 AORWLKJLXXOVTD-LBPRGKRZSA-N 304.350 -0.118 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)NC[C@H]1CC1(C)C 1328844188 PFOALSOZBHFMOR-SNVBAGLBSA-N 302.396 -0.134 30 20 DBED C=C[C@H](C)ONC(=O)C(=O)Nc1ncn(CC(=O)OCC)n1 1332628248 PDAYIBSAVKFAEX-QMMMGPOBSA-N 311.298 -0.598 30 20 DBED CCOCCOCCNC(=O)C(=O)N1CC[C@@](F)(C#N)C1 1333305975 LAINNHXVLDYYNP-CYBMUJFWSA-N 301.318 -0.380 30 20 DBED C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCN(C(=O)C(=O)O)CC1 1340485322 MWODTKUINFKYHT-MNOVXSKESA-N 311.338 -0.342 30 20 DBED CC(C)C(=O)N1CCCN(C(=O)NCC(=O)NCC#N)CC1 1342600967 NJBIDWLKSOJTOO-UHFFFAOYSA-N 309.370 -0.474 30 20 DBED CNC(=O)[C@@H]1CCC[C@H]1NC(=O)C(=O)N1CCC(C#N)CC1 1343048710 DKULYRMQXXBDHK-VXGBXAGGSA-N 306.366 -0.221 30 20 DBED CN(CCN1CCCC1=O)C(=O)C(=O)Nc1ccc(C#N)cn1 1343912581 ZGOZFROBJBEIAH-UHFFFAOYSA-N 315.333 -0.027 30 20 DBED CN(C)c1cc(NC(=O)C(=O)N2CC[C@](O)(CC#N)C2)ncn1 1345811197 ZRHCPIZLBAKBLY-CQSZACIVSA-N 318.337 -0.642 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)C(=O)NCCC2CCOCC2)C1 1345839850 JTCFAAZQLYSKKI-OAHLLOKOSA-N 309.366 -0.204 30 20 DBED COCCN(CCC#N)C(=O)c1ccc(=O)n(CCOC)n1 1361746153 YIWTUKJNSDNTDX-UHFFFAOYSA-N 308.338 -0.108 30 20 DBED CN(C)CCCN(CCC#N)C(=O)CCCS(N)(=O)=O 1361853155 GESLIKPAXYOEES-UHFFFAOYSA-N 304.416 -0.251 30 20 DBED Cc1cc(C[C@H](C)NC(=O)Cn2cc(C#N)c(O)nc2=O)n[nH]1 1362568183 NCQSDOOVIRVTQK-QMMMGPOBSA-N 316.321 -0.401 30 20 DBED COc1cc(C#N)ccc1OCC(=O)N1C[C@@H](CO)[C@@H](O)C1 1363247555 LZVDGPLBCGHBOF-RYUDHWBXSA-N 306.318 -0.243 30 20 DBED CC(C)(O)[C@H]1CCCN(C(=O)Cn2cc(C#N)c(O)nc2=O)C1 1363386003 AFAIGAOORFKBCM-NSHDSACASA-N 320.349 -0.170 30 20 DBED COC(=O)c1cccn(CC(=O)N2CC[C@](O)(CC#N)C2)c1=O 1363461350 DDZNMWYOGDVGJP-OAHLLOKOSA-N 319.317 -0.488 30 20 DBED C[C@@H]1COC[C@H]1NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1363616824 UMBKYFKXUOSJNB-ZWNOBZJWSA-N 323.374 -0.012 30 20 DBED Cn1c(=O)[nH]c(N2CCOC[C@@H]2[C@H]2CCCO2)c(C#N)c1=O 1364177732 JXXIOZFNDCDVES-GHMZBOCLSA-N 306.322 -0.671 30 20 DBED Cn1c(N2C[C@H]3CC[C@@H](O)C[C@H]3C2)c(C#N)c(=O)n(C)c1=O 1364565951 JRXNYQMXFKJZNT-OUAUKWLOSA-N 304.350 -0.447 30 20 DBED CN(CCNC(=O)c1ccc(O)nn1)C(=O)c1cc(C#N)c[nH]1 1373351193 DNFRXSTWNGNDAY-UHFFFAOYSA-N 314.305 -0.116 30 20 DBED C[C@H](C(=O)NC1CN(C(=O)c2ccc(C#N)[nH]2)C1)S(C)(=O)=O 1398647867 VOLXFYNMRNOZTM-MRVPVSSYSA-N 324.362 -0.740 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)c2cnccn2)C1 1401063134 WGXSZEKNTIFRMG-IINYFYTJSA-N 303.322 -0.671 30 20 DBED C[C@H](CNCc1nc(O)n[nH]1)N(C)C(=O)c1cc(C#N)c[nH]1 1401194170 KAIACEVDZBRXEI-MRVPVSSYSA-N 303.326 -0.040 30 20 DBED C=C(Cl)CN(C)CCN(C)C(=O)CN1CCN(C)C(=O)C1 1401370707 LNAQRGOTMFJMJL-UHFFFAOYSA-N 316.833 -0.097 30 20 DBED CC(C)CNC(=O)NC(=O)CN(C)CCNC(=O)[C@H](C)C#N 1403507308 MRLWPNZTMSKPKO-LLVKDONJSA-N 311.386 -0.324 30 20 DBED COCCN(CCNC(=O)Cc1cncn1C)C(=O)[C@H](C)C#N 1413514123 MPTISVMJUUBJPX-GFCCVEGCSA-N 321.381 -0.287 30 20 DBED C[C@@H](C#N)C(=O)NCC1CN(CC(=O)NCc2cccnc2)C1 1419009961 IDOZGJBJYOVPBR-LBPRGKRZSA-N 315.377 -0.095 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(CN(C(=O)CCCC(N)=O)C2)C1 1428594223 MBDJFPSQJXTQCO-NSHDSACASA-N 306.366 -0.137 30 20 DBED CNC(=O)NCCC(=O)NC[C@@H](NC(=O)[C@H](C)C#N)C(C)C 1433093498 OOVXZMXLIOAVEW-GHMZBOCLSA-N 311.386 -0.278 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1nccc2[nH]ccc12 1433342006 XVYGNODWSSHDQW-UWVGGRQHSA-N 315.333 -0.071 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CN(C)C(=O)c1cc(C#N)c[nH]1 1451817797 PYHAZANYOMDVPN-ONGXEEELSA-N 303.322 -0.405 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(NC(=O)CS(C)(=O)=O)CC1 1453782762 XIWWKZSHJKTOEL-VIFPVBQESA-N 301.368 -0.702 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CNC(=O)Cn2cncn2)CC1 1453834605 HLAXGHPXIDQQBJ-LLVKDONJSA-N 304.354 -0.207 30 20 DBED CC(C)(C#N)CS(=O)(=O)N[C@H]1CCN(S(C)(=O)=O)C1 1463997208 BLMBLXRVFFGBTO-VIFPVBQESA-N 309.413 -0.511 30 20 DBED C[C@H](C#N)C(=O)NCCN(C)C(=O)CCS(=O)(=O)N(C)C 1528598008 YFAFAFPHXGJKHX-SNVBAGLBSA-N 318.399 -0.998 30 20 DBED Cc1[nH]nc(C(=O)N2CCC[C@@H]2CNCC(=O)NCC#N)c1O 1568136356 TVLHKNJTLMKOCW-SNVBAGLBSA-N 320.353 -0.742 30 20 DBED C=C(C)CCC(=O)NC[C@@H](O)CN(C)C(=O)CNC(=O)O 1573324849 ZXLFVOZQZSMHOA-SNVBAGLBSA-N 301.343 -0.454 30 20 DBED CC#CCS(=O)(=O)c1cccc(C(=O)N(C)C[C@@H](O)CN)c1 1574969727 LFCPVOWSJJTMLL-ZDUSSCGKSA-N 324.402 -0.125 30 20 DBED N#C[C@@H]1CNCC12CC(C(=O)N1C[C@@H](CO)[C@@H](CCO)C1)C2 1580042293 QBQRCGNJKBXNLK-NSVFMMHJSA-N 307.394 -0.425 30 20 DBED Cc1cc(-c2nn[nH]n2)cc(C)c1C(=O)NCC(=O)NCC#N 1580612360 NUJQLQVAJFQPCJ-UHFFFAOYSA-N 313.321 -0.147 30 20 DBED C#CCN(C(=O)NC/C=C(/C)C(=O)O)[C@H]1CCS(=O)(=O)C1 1588460317 XWKSRCDIBSGBCZ-FGUAACIASA-N 314.363 -0.151 30 20 DBED Cc1nn(Cc2ncc(C#N)cn2)c(=O)c(-c2nn[nH]n2)c1C 1592438419 YYSKXYWYLPNQKN-UHFFFAOYSA-N 309.293 -0.250 30 20 DBED N#CCC1(O)CN(Cc2cnc3c(-c4nn[nH]n4)cnn3c2)C1 1592673838 PYUGQFRTZCLLKK-UHFFFAOYSA-N 311.309 -0.630 30 20 DBED N#CCN1CCOC2(CCN(C(=O)[C@@H]3C[C@H]3C(=O)O)CC2)C1 1601074768 PVSPDBCSDHDEMU-VXGBXAGGSA-N 307.350 -0.076 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)C[C@@H](C)CC(=O)O)CC1 1602725590 ZUNSOTXUBYONKM-CYBMUJFWSA-N 323.393 -0.229 30 20 DBED C=CCN1CC[C@@H](N(C)CC(=O)N[C@H](C(=O)O)C(C)C)C1=O 1602897896 GTEQHALTGSKGMD-YPMHNXCESA-N 311.382 -0.070 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@H](NC(=O)Cn2cccn2)C1 1713816834 WWPDHNDRFTVHRB-STQMWFEESA-N 303.366 -0.789 30 20 DBED C#CCNC(=O)[C@H](C)N(C)CCCNC(=O)c1[nH]c(O)nc1C 1751999952 SJUSYIAVAUWKAC-NSHDSACASA-N 321.381 -0.387 30 20 DBED C#CCNC(=O)CN(C)CCCNC(=O)c1cncc(OC)n1 1752077583 IVAWIKMNKTUYEW-UHFFFAOYSA-N 319.365 -0.714 30 20 DBED N#CCNC(=O)CN[C@H]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 1752626717 VOWJCIDHQPSHRP-XYPYZODXSA-N 300.322 -0.623 30 20 DBED C=CCNC(=O)[C@H](C)N[C@H]1C[C@@H](NC(=O)c2cn(C)c(O)n2)C1 1752758474 VEIVCVNPRODFMU-GARJFASQSA-N 321.381 -0.333 30 20 DBED C#CCNC(=O)CN1CCC[C@@H]([C@H](C)NC(=O)CNC(C)=O)C1 1752833341 FBHDYMWMNPCENR-GXTWGEPZSA-N 322.409 -0.911 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@@H](CCNC(=O)c2cn[nH]c2)C1 1753323412 VXFQHIASYACHOL-QWHCGFSZSA-N 317.393 -0.011 30 20 DBED C#CCCN1CCN(CCN(C)C(=O)c2cnnn2C)CC1 1753342194 OLTQBAPSTDIRBY-UHFFFAOYSA-N 304.398 -0.472 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC(CNC(=O)c2cnc(O)n2C)C1 1753407682 SJNOJMFDFXYRPC-SNVBAGLBSA-N 321.381 -0.522 30 20 DBED C#CCNC(=O)CNCC[C@H](C)NC(=O)C12CCCN1CCC2 1753979971 WVSZWIIPPUYZNJ-AWEZNQCLSA-N 320.437 -0.151 30 20 DBED Cc1ncccc1CC(=O)N[C@H](C)CNCC(=O)NCC#N 1754244508 CWSCHXFWOQVQRX-LLVKDONJSA-N 303.366 -0.333 30 20 DBED C[C@@H](CNCC(=O)NCC#N)NC(=O)CCc1ccnn1C 1754269108 YACXEQZYDGZYNN-NSHDSACASA-N 306.370 -0.913 30 20 DBED C=CCNC(=O)[C@H](C)N1CC(O)(CNC(=O)c2cccn2C)C1 1754763099 HBWPJMVSRPNIBR-LBPRGKRZSA-N 320.393 -0.508 30 20 DBED COCC#CCN1CC(O)(CNC(=O)Cn2nc(C)cc2C)C1 1754770529 OAWSRVSUIVUUCH-UHFFFAOYSA-N 320.393 -0.687 30 20 DBED COCC#CCNCCN(CCO)C(=O)c1ncccc1OC 1754896717 ZZYOUHNIICWAMB-UHFFFAOYSA-N 321.377 -0.236 30 20 DBED C[C@H](C#N)C(=O)NCC1(NCCN2C(=O)CNC2=O)CCC1 1754978700 PEULURYNCHQFNO-SNVBAGLBSA-N 307.354 -0.674 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CC(CNCC(=O)NC(N)=O)C1 1755218459 JVRXCCXSUMDYSN-HCWSGVFWSA-N 324.381 -0.743 30 20 DBED C#CCNC(=O)CN[C@@H](CO)CNC(=O)c1cc(C)cs1 1755627043 CCAORDIORXGZIP-LLVKDONJSA-N 309.391 -0.514 30 20 DBED C=CCCN[C@@H](CO)CNC(=O)c1cnn2c(=O)cc[nH]c12 1755640148 FKTHNPRZVIRCNZ-SNVBAGLBSA-N 305.338 -0.721 30 20 DBED C=CCNC(=O)CNC[C@@H](O)CN(C)C(=O)c1cccc(O)n1 1755776387 DNWFPSCFMJWXJI-LLVKDONJSA-N 322.365 -0.888 30 20 DBED O=C(C#CC1CC1)NCC1=CCN([C@@H]2CCC(=O)NC2=O)CC1 1755886448 IGRQKUGXZKQLEW-CQSZACIVSA-N 315.373 -0.047 30 20 DBED CN1C[C@H](C(=O)NCC2CC(NC(=O)C#CC3CC3)C2)CC1=O 1755935670 AQPUCUYRSPJEKW-ROKHWSDSSA-N 317.389 -0.111 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H](CO)NC(=O)c1ccnc(C)c1 1756521156 KPZQNLQGEICEFI-TZMCWYRMSA-N 319.361 -0.365 30 20 DBED C=CC(C)(C)C(=O)N[C@@H](CO)CNC(=O)C[C@H]1CCC(=O)N1 1756531514 AIYMGFIXSZFHBW-GHMZBOCLSA-N 311.382 -0.539 30 20 DBED CC(C)C#CC(=O)N(C)C[C@@H](O)CN(C)C(=O)c1ncn(C)n1 1756686059 ONPUXYVTUDATAS-GFCCVEGCSA-N 321.381 -0.634 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(C(=O)C2CCCC2)C[C@@H]1O 1757174162 UZEYSYZWROYMRF-YUTCNCBUSA-N 308.378 -0.097 30 20 DBED COc1ccc(C)c(C=NNCCS(N)(=O)=O)c1C(=O)O 1776047018 RLEQHIISURVIDJ-UHFFFAOYSA-N 315.351 -0.086 30 20 DBED CCN1C[C@@H](S(=O)(=O)N[C@H](CCC#N)C(=O)O)CC1=O 1776874889 RWLSQAHDZXJCIV-DTWKUNHWSA-N 303.340 -0.716 30 20 DBED N#CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc[nH]3)C[C@@H]21 1786364897 ZYPLRZXTRUMUOP-GVXVVHGQSA-N 317.349 -0.083 30 20 DBED C=CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=N)N)[C@H]2C1 1786810029 QKMNPBGEJWNIHN-SRVKXCTJSA-N 323.397 -0.975 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccnnc1O 1798385857 HWIAGOWVLXRHIT-DDFAGTSDSA-N 316.317 -0.981 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccnc(C)n1)C2 1800452340 YBHNUICGLWSEBC-JJLQDPRZSA-N 314.345 -0.379 30 20 DBED C#CCNC(=O)COC(=O)Cn1c(=O)n(C)c2ccccc21 9961928 DFWAKUALCZFHSK-UHFFFAOYSA-N 301.302 -0.367 30 20 DBED CNC(=O)[C@H](NC(=O)CN1CCOC[C@@H]1C#N)c1ccccc1 177112289 LRYAJGBLKCFKGQ-DZGCQCFKSA-N 316.361 -0.186 30 20 DBED C=C(C)CN1CCC(NC(=O)NCCS(=O)(=O)NC)CC1 187504693 NNOBMBQTUIGOJI-UHFFFAOYSA-N 318.443 -0.125 30 20 DBED CN1C[C@H](NC(=O)C(=O)Nc2ccc(F)c(C#N)c2)CC1=O 267311566 DESIWMHXPLJKII-SNVBAGLBSA-N 304.281 -0.017 30 20 DBED COC(=O)[C@H](NC(=O)COc1ccc(C#N)cc1OC)[C@H](C)O 274508740 GRFCXDZGOUWQRC-LKFCYVNXSA-N 322.317 -0.016 30 20 DBED C#CCOc1cccc(NC(=O)C(=O)N[C@H](CO)COC)c1 280311939 BOEWUFLUAGEQNJ-GFCCVEGCSA-N 306.318 -0.239 30 20 DBED CN(C)S(=O)(=O)NCCNC(=O)c1cccc(CC#N)c1 288355688 XFJSRBFWJARQQD-UHFFFAOYSA-N 310.379 -0.122 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H](COC)NC(=O)[C@@H](C)OCC#C 295311135 NEZOKFOBEXXGOW-MGPQQGTHSA-N 324.377 -0.690 30 20 DBED C#CCN(C)CCCNC(=O)N(C)CC(=O)N1CCOCC1 297495433 NUTVJUUGNMAJBO-UHFFFAOYSA-N 310.398 -0.558 30 20 DBED C[C@H](C#N)CN(C)C(=O)C(=O)N1CC(=O)N[C@H]2CCCC[C@@H]21 298829873 VLYWNIYPTPBGCP-WOPDTQHZSA-N 306.366 -0.126 30 20 DBED N/C(=N/CCS(=O)(=O)N1CCOCC1)N1CCCCC1 303984727 SIUZCHMYTNXGME-UHFFFAOYSA-N 304.416 -0.551 30 20 DBED C=C(C)CN/C(N)=N/CCNS(=O)(=O)Cc1ccon1 304799360 OCOFQALOJGVKNS-UHFFFAOYSA-N 301.372 -0.426 30 20 DBED C[C@H](/N=C(/O)CN1C(=O)CN(C)C1=O)[C@H](C)N1CCOCC1 329100926 MTYKEOLJNLFRCJ-QWRGUYRKSA-N 312.370 -0.054 30 20 DBED C[C@H](CN1CCCC1=O)/N=C(/O)N1CCN2CCOC[C@H]2C1 329786571 QQPHEPDYKGAPBW-CHWSQXEVSA-N 310.398 -0.072 30 20 DBED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCOC[C@H](O)C2)CC1 332340965 POESCZHAHOPWOF-CABCVRRESA-N 324.425 -0.628 30 20 DBED CCC1(O)CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)CC1 337099055 UHWNYKJESGBQJS-LLVKDONJSA-N 303.384 -0.308 30 20 DBED C=CCCOCCNC(=O)C(=O)N1CCC[C@H]2C(=O)NC[C@@H]21 342029277 ZJRFFRWNEDQLQM-NEPJUHHUSA-N 309.366 -0.568 30 20 DBED N#Cc1ccc(C(=O)CNC(=O)CN2CCOCC2=O)cc1 356161981 JSRBDWCRKQGGKQ-UHFFFAOYSA-N 301.302 -0.284 30 20 DBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[C@@H]2CNC[C@@H]21 418830338 OFXHLGUCNLEIML-RFGFWPKPSA-N 307.394 -0.096 30 20 DBED Cn1nnc(CNC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)n1 428531572 ZGHRDIURNOQTRY-UHFFFAOYSA-N 323.320 -0.220 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N1CC[C@@H](CS(C)(=O)=O)C1 490474738 DSOUGEJHQLTMSO-WDEREUQCSA-N 323.440 -0.168 30 20 DBED C#CCN1CCN(C(=O)CN2CC[C@H](C)C[C@@H]2C(N)=O)CC1 491047759 VSPDWTCTRHEHII-UONOGXRCSA-N 306.410 -0.650 30 20 DBED C#CCNC(=O)CCNC[C@@H](N1CCOCC1)C(F)(F)F 491625209 HSTUMOPAUUIGIR-LLVKDONJSA-N 307.316 -0.021 30 20 DBED CCOC(=O)N1CCN(S(=O)(=O)NCC2(C#N)CC2)CC1 496977457 JMMXZSDXAJUQHT-UHFFFAOYSA-N 316.383 -0.101 30 20 DBED N#Cc1ccccc1OC[C@@H](O)CN1CCOC[C@H]1CC(N)=O 528516992 LNEORFRNUKGHEV-KGLIPLIRSA-N 319.361 -0.126 30 20 DBED Cn1c(=O)c2c(ncn2CCC(=O)NC(C)(C)C#N)n(C)c1=O 543757405 DUYNFAGXIXZQQF-UHFFFAOYSA-N 318.337 -0.758 30 20 DBED N#Cc1ccc(OC[C@H](O)CNC[C@@H](O)Cn2ccnn2)cc1 566231776 UBPBQLRHPJPFQW-ZIAGYGMSSA-N 317.349 -0.460 30 20 DBED Cc1cc(NC(=O)C(=O)N2C[C@H](C)O[C@H](CO)C2)ncc1C#N 572057602 ODEIZCZXYDZARY-JQWIXIFHSA-N 318.333 -0.192 30 20 DBED COC(=O)CNC(=O)CNC(=O)C1(c2cccc(C#N)c2)CC1 574888623 DKVBSGWCQLMAAE-UHFFFAOYSA-N 315.329 -0.005 30 20 DBED C[C@H](C#N)N(C1CC1)S(=O)(=O)CCCS(=O)(=O)N(C)C 594837737 QMIVYROOVSNVKK-SNVBAGLBSA-N 323.440 -0.026 30 20 DBED C[C@H](C(=O)N1CCOC[C@H]1C#N)n1cnc2c(N)ncnc21 597300161 XHBPOXRCJDKBDW-RKDXNWHRSA-N 301.310 -0.280 30 20 DBED N#C[C@]1(F)CCN(C(=O)[C@H]2CCCN(S(N)(=O)=O)C2)C1 597555082 YWNMHJJFDZJJIT-GXSJLCMTSA-N 304.347 -0.634 30 20 DBED C[C@H]1COCCN1CCNC(=O)N1CCN(CCC#N)CC1 601583177 RWKVVBGROZZFPE-AWEZNQCLSA-N 309.414 -0.052 30 20 DBED N#C[C@@]1(NC(=O)c2ccc(S(N)(=O)=O)nc2)CCSC1 611200577 WTYNRGMBZOZUBK-NSHDSACASA-N 312.376 -0.142 30 20 DBED N#CCC1(O)CN(C(=O)Cn2cnc3sccc3c2=O)C1 619444177 QKAUNZVWDKRIIY-UHFFFAOYSA-N 304.331 -0.055 30 20 DBED CS(=O)(=O)NCCc1ccc(C(=O)NCC#CCO)cc1 655057961 ANJWGZZCXAKSIB-UHFFFAOYSA-N 310.375 -0.496 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)CNC(=O)Cc1ccc(O)cc1 726823502 DANMDAMPBIAQJH-NSHDSACASA-N 318.329 -0.268 30 20 DBED Cn1c(NCCSCCC(=O)O)c(C#N)c(=O)n(C)c1=O 739014351 OOEJESUZJYEVKH-UHFFFAOYSA-N 312.351 -0.425 30 20 DBED C#CCNC(=O)Cn1nnc2c(cnn2-c2ccccc2)c1=O 757746165 QIIYMHYQEQAWSY-UHFFFAOYSA-N 308.301 -0.273 30 20 DBED C[C@H](O)C(=O)N1CCN(C(=O)COc2cccc(C#N)c2)CC1 766023813 PXBKRXQGAIUFTP-LBPRGKRZSA-N 317.345 -0.011 30 20 DBED O=C(NCC#CCO)[C@H](O)[C@@H](O)c1nc2ccccc2s1 773549574 CZNKIIKTCGJAMF-VXGBXAGGSA-N 306.343 -0.198 30 20 DBED CC(C)[C@@](C)(C#N)NC(=O)COC(=O)Cn1ncn(C)c1=O 781265505 FPTGKMIMAKTKFG-CYBMUJFWSA-N 309.326 -0.821 30 20 DBED CC(C)[C@@H](OC(=O)[C@@H](C)n1cnc(C#N)n1)C(=O)NC(N)=O 798747045 BOEWSHBQBXEKKA-VXNVDRBHSA-N 308.298 -0.527 30 20 DBED C=CCN1CC[C@@H](N(C)CN2C[C@H](C(=O)OC)CC2=O)C1=O 799142273 OOKJIFXMSMSXJM-VXGBXAGGSA-N 309.366 -0.316 30 20 DBED C#CCCCNC(=O)C(=O)N1CCN(c2cnn(C)c2)C(=O)C1 806911897 RZJBWEIMBQGPJG-UHFFFAOYSA-N 317.349 -0.875 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@H](C)CO[C@@H]1CCOC1)[C@H]1CCCO1 808279799 WHXNFMXUGRYHMS-YIYPIFLZSA-N 324.377 -0.406 30 20 DBED COC(=O)CC[C@@]1(C)NC(=O)N(CN2CCO[C@@H](C#N)C2)C1=O 811742989 MCUDOZHCPFCXFS-IINYFYTJSA-N 324.337 -0.568 30 20 DBED COC(=O)CN1CCN(C(=O)c2cccc(C#CCO)c2)CC1 828644187 FSQLRAFVCYXMIS-UHFFFAOYSA-N 316.357 -0.039 30 20 DBED NC(=O)COc1cccc(C(=O)N[C@H]2CCCN(O)C2=O)c1 848138127 MVYIKDFOZAXEIC-NSHDSACASA-N 307.306 -0.339 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N1CC[C@@H](N2CC=CC2)C1 850711524 DNQXOEJAAGONDO-OAHLLOKOSA-N 319.405 -0.043 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)NCCn1ccnc1C 875153376 DCJYGALPDVKOEX-CYBMUJFWSA-N 306.366 -0.148 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N1CC[C@H](NC(C)=O)C1 875595554 ACOCVMVNRAICIG-OLZOCXBDSA-N 309.366 -0.732 30 20 DBED C#CC1(O)CN(C(=O)CCN2C(=O)NC3(CCCC3)C2=O)C1 890520029 VZSJWOQGVPPGPJ-UHFFFAOYSA-N 305.334 -0.552 30 20 DBED CC#CCCNC(=O)N1CC[C@H](N2C(=O)O[C@H]3CNC[C@H]32)C1 891813882 MQFBHEDEWGOMNM-XQQFMLRXSA-N 306.366 -0.024 30 20 DBED C[C@]1(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)C[C@H](O)CN1 911637904 YANKDRAXRPNZOF-XJKSGUPXSA-N 315.377 -0.285 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](NC(=O)c2cc(C(N)=O)ccn2)C1 938253219 KGEYODUZRZRRBS-KOLCDFICSA-N 315.333 -0.329 30 20 DBED C=CCN1CC[C@@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)[C@@H](C)C1 943305593 OWHIEMBCVLKLPZ-WDEREUQCSA-N 322.365 -0.580 30 20 DBED N#Cc1cc(C(=O)NC[C@H]2CCN2C(=O)[C@@H]2CCNC2=O)c[nH]1 949485307 CHZUWWRIVKYYHC-VXGBXAGGSA-N 315.333 -0.647 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1ncn(C)n1 949767999 CQBNSASTBUULQC-UTUOFQBUSA-N 319.365 -0.263 30 20 DBED C#Cc1cncc(C(=O)NC[C@H]2CCN2C(=O)Cc2nc[nH]n2)c1 952014193 HHHWOVDTBMFAKO-CYBMUJFWSA-N 324.344 -0.246 30 20 DBED C#Cc1ccc(C(=O)N[C@@]2(C)CCN(C(=O)CC(N)=O)C2)nc1 957250324 ZYPZOVBEWNWBFI-INIZCTEOSA-N 314.345 -0.341 30 20 DBED N#CCN1C[C@H](O)[C@H](CNC(=O)c2cn3c(n2)CCCC3)C1 958117957 XDEUKYGGVRFJTJ-YPMHNXCESA-N 303.366 -0.235 30 20 DBED CC#CCN1C[C@H](O)[C@H](CNC(=O)c2cc3n(n2)CCO3)C1 958135088 KNENVCPGVGYUPW-YPMHNXCESA-N 304.350 -0.679 30 20 DBED C=CCCN1C[C@H](CNC(=O)c2ccc(C(N)=O)o2)[C@@H](O)C1 958240196 YLXVRDUZQYXKPY-QWRGUYRKSA-N 307.350 -0.023 30 20 DBED CC(C)CCn1cc(C(=O)NC[C@@H]2CN(CC#N)C[C@H]2O)nn1 958403142 ABWFOVPJHQDYJM-TZMCWYRMSA-N 320.397 -0.130 30 20 DBED CC#CCN1C[C@H](CNC(=O)c2cnc3cccnn23)[C@@H](O)C1 958453979 RTSFLQQXSHHYTG-JSGCOSHPSA-N 313.361 -0.225 30 20 DBED CC#CCN1C[C@@H](O)[C@H](CNC(=O)c2ccc(C(N)=O)s2)C1 958477311 XSMMSYURFJNIGN-GHMZBOCLSA-N 321.402 -0.107 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2ccc(CNC(C)=O)o2)C1 958485409 LLBLXBHQGXHMQQ-OCCSQVGLSA-N 319.361 -0.429 30 20 DBED C#CCN1C[C@@H]2C(NC(=O)c3cc(O)nc4ncn(C)c34)[C@H]2C1 960234948 QEOJPOQLOAMYBP-QWRGUYRKSA-N 311.345 -0.033 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1ccnnc1 961026394 ODRDBWSKTDWGHL-KGYLQXTDSA-N 315.333 -0.312 30 20 DBED N#Cc1cc(C(=O)NC2CC(CN[C@@H]3CCNC3=O)C2)c[nH]1 961739233 DNUAPGPATPTJJV-QEIKUCIBSA-N 301.350 -0.127 30 20 DBED CCc1oncc1C(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 963201322 IWYPJKQCEPQTIT-OLZOCXBDSA-N 317.345 -0.048 30 20 DBED COCC(=O)N1CCOC[C@@H]1CNC(=O)c1ccc(C#N)[nH]1 964162292 IVWRPQALLVKGNX-NSHDSACASA-N 306.322 -0.510 30 20 DBED N#CCN[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 968645052 LFEWUCAUYSJSAM-WDEREUQCSA-N 302.338 -0.523 30 20 DBED C#CCN1CCCCC[C@@H]1CNC(=O)c1cn(CC(N)=O)nn1 969156542 WHHNMGDEQFOSNE-GFCCVEGCSA-N 318.381 -0.629 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)c3cnn(C)c3N)C2)C1 972355318 LQVMTZNTGLFPID-HNNXBMFYSA-N 303.366 -0.448 30 20 DBED C=CCN1C[C@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)C(C)(C)C1 975104430 XHFFSLANVAKACM-JTQLQIEISA-N 322.365 -0.580 30 20 DBED N#CCN1CCCC2(C1)CN(C(=O)CN1CCCNC1=O)C2 981871007 MENYVPLSFXXLGG-UHFFFAOYSA-N 305.382 -0.150 30 20 DBED N#Cc1cc(C(=O)N2CC[C@@H](NC(=O)C(F)F)[C@@H](O)C2)c[nH]1 991153081 CXCRYTWEVAQNTQ-ZJUUUORDSA-N 312.276 -0.157 30 20 DBED C[C@H]1[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)CCCN1CC#N 993921925 ZAAYBWAGMAHXCK-CMPLNLGQSA-N 319.365 -0.810 30 20 DBED C#Cc1ccc(C(=O)N2CC(NC(=O)[C@@H]3CCC(=O)N3)C2)cn1 997111525 RMSARIVAGQBFEC-ZDUSSCGKSA-N 312.329 -0.718 30 20 DBED O=C(NC1CN(C(=O)C#CC2CC2)C1)[C@@H]1CCCc2nn[nH]c21 998567650 KRRUTVWIUAFCPY-GFCCVEGCSA-N 313.361 -0.035 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)C2(N3CCOCC3)CCC2)C1 998893094 OPTIQHAIBRULID-LBPRGKRZSA-N 320.393 -0.272 30 20 DBED N#Cc1cc(C(=O)NCC2CN(C(=O)Cn3cccn3)C2)c[nH]1 1001492571 AVQPAEGADXFCFK-UHFFFAOYSA-N 312.333 -0.029 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCC1CN(C(=O)C2(C(N)=O)CC2)C1 1004533006 GANQAGPGTBRSAD-NEPJUHHUSA-N 321.377 -0.582 30 20 DBED CC1(C)CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)Cn1ncnn1 1008175939 LXGZVBRWUDLSNK-GFCCVEGCSA-N 316.365 -0.560 30 20 DBED CN1CC[C@@H](C(=O)N[C@@H]2CCCN(CC#N)C2)S1(=O)=O 1008840114 LVZFQOPTVHPKHF-MNOVXSKESA-N 300.384 -0.876 30 20 DBED CC#CCN1CCC[C@@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)C1 1009413206 AYTMPUZWJGAEFM-GFCCVEGCSA-N 320.393 -0.079 30 20 DBED N#Cc1ccc(C(=O)N2CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)[nH]1 1011019833 KDKPOSFNSNYHHC-LBPRGKRZSA-N 315.333 -0.551 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)CC(N)=O)[C@H]2C)nc1 1011584598 CLULROUGSQDGDS-JQWIXIFHSA-N 314.345 -0.343 30 20 DBED COCCn1nc(C(=O)N[C@H]2C[C@H](NCC#N)C2)ccc1=O 1020371953 CHWBQBYSKVAEEB-XYPYZODXSA-N 305.338 -0.736 30 20 DBED CC(=O)N1CCO[C@H](C(=O)NC[C@@H]2CCCN(CC#N)C2)C1 1023728632 AFMXNDHIGZQVQF-KBPBESRZSA-N 308.382 -0.415 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)Cc3cncn3C)C2)C1=O 1031257247 NDVCLAFCRFCBCT-AWEZNQCLSA-N 317.393 -0.450 30 20 DBED C#CCOc1ncccc1C(=O)NC1CN(CC(=O)NC)C1 1031276322 VWSLTCYOOUYORZ-UHFFFAOYSA-N 302.334 -0.746 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)Cn2ccc(=O)n(C)c2=O)C1 1033127649 XEEFSNOYTHXHEA-GFCCVEGCSA-N 306.366 -0.734 30 20 DBED CC#CCN1CC[C@H]2CN(C(=O)CN3CCOCC3=O)CC[C@@H]21 1036738732 MMSBGQNVBVOWCR-GJZGRUSLSA-N 319.405 -0.209 30 20 DBED C=C(C)CN1C[C@H]2C[C@H]1[C@H]2NC(=O)CN1C(=O)CN(C)C1=O 1037712768 GWASDMABCFCTOP-SUNKGSAMSA-N 306.366 -0.355 30 20 DBED C#CCN[C@H]1CCN(C(=O)Cn2nc(C)n(C)c2=O)C[C@@H]1CC 1037963985 RVIBQUZYBMDXST-KBPBESRZSA-N 319.409 -0.260 30 20 DBED CN1CC[C@@H](N2CC[C@H]2CNC(=O)c2c[nH]c(C#N)c2)C1=O 1038169859 WRBTWJAAFRRWCR-QWHCGFSZSA-N 301.350 -0.079 30 20 DBED C#CCCCC(=O)N1CC[C@@](O)(CNC(=O)CC(=O)N(C)C)C1 1039752645 ASEAXNVXAKNRQT-MRXNPFEDSA-N 323.393 -0.652 30 20 DBED Cc1c[nH]c(C(=O)NC[C@@]2(O)CCN(C(=O)[C@H](C)C#N)C2)n1 1039832934 UWBOOQSVJJACAN-OTYXRUKQSA-N 305.338 -0.429 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)[C@@]3(F)CCOC3)C2)nc1 1041304754 QNEYVZKKRIPYMO-LALPHHSUSA-N 320.324 -0.252 30 20 DBED C=C(Br)CN1CC(N(C)C(=O)Cn2cnnn2)C1 1042459662 AJYNKZYLNSTHHH-UHFFFAOYSA-N 315.175 -0.276 30 20 DBED N#CCSCC(=O)N1CC(O)(CNC(=O)c2cc[nH]c2)C1 1043385946 SMYIKCNZYVDMOB-UHFFFAOYSA-N 308.363 -0.425 30 20 DBED CC1CCN(CC(=O)NCC2(O)CN(C(=O)[C@H](C)C#N)C2)CC1 1045262477 UFXVVZMDAKOMDN-CYBMUJFWSA-N 322.409 -0.433 30 20 DBED C[C@@H]1C[C@@H](C(=O)NCC2(O)CN(C(=O)C#CC3CC3)C2)CCO1 1045311985 WZPYPZGVTBXUNF-OCCSQVGLSA-N 320.389 -0.096 30 20 DBED COCCn1nc(C(=O)N[C@]2(C)CCN(CC#N)C2)ccc1=O 1046467721 JWHOESFJKNVIHZ-OAHLLOKOSA-N 319.365 -0.393 30 20 DBED C[C@@]1(NC(=O)c2cnn3c(=O)cc[nH]c23)CCN(CC#N)C1 1046681192 LJGWPVBYUPTEKZ-CQSZACIVSA-N 300.322 -0.260 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCc3nn[nH]c32)C1 1047505176 CJHLDHJHUFFZPF-XBFCOCLRSA-N 317.393 -0.249 30 20 DBED C#CCOc1ccc(C(=O)N(C)[C@H]2CN(CCO)C[C@@H]2O)cc1 1047556632 UJKZTQJDCFVOSG-HOTGVXAUSA-N 318.373 -0.192 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3nnc(O)n3c2)C1 1047563992 HYSYEYUGKCSTDA-RYUDHWBXSA-N 315.333 -0.815 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)CC2(O)CCC2)C[C@@H]1O 1049393533 BHVJSGBBWQHBJW-SRVKXCTJSA-N 309.366 -0.519 30 20 DBED N#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1ccc(O)nc1=O 1049581341 YZGUQEFOYHGDJX-RYUDHWBXSA-N 317.349 -0.462 30 20 DBED N#Cc1nc(=N[C@H]2CCCCCN(C(=O)CC(N)=O)C2)cc[nH]1 1049866720 BMTDSANXSRCSQV-NSHDSACASA-N 316.365 -0.171 30 20 DBED CC(C)C#CC(=O)N[C@@H](C)[C@H]1CCN(C(=O)Cn2cnnn2)C1 1049969296 QYAMDCQRLBTZRD-STQMWFEESA-N 318.381 -0.314 30 20 DBED Cc1nc(O)c(C(=O)NC[C@H]2COCCN2CC#N)nc1C 1050978119 JWQZDYILIBHKDU-NSHDSACASA-N 305.338 -0.247 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)[C@@H]1CCc2c[nH]nc2C1 1051253732 YHTRAIBUSKNVJQ-OCCSQVGLSA-N 302.378 -0.035 30 20 DBED C=CCOCC(=O)N[C@@H](C)[C@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 1051454723 VUOIBCUMYGBAHW-RYUDHWBXSA-N 323.393 -0.192 30 20 DBED C#CCN1CCC[C@H](NC(=O)c2cnc(O)n(C)c2=O)CC1 1052618015 QJQABWUEDCMIEG-NSHDSACASA-N 304.350 -0.297 30 20 DBED C=C(C)CN1CC2(C1)CN(C(=O)[C@H]1CC[C@@H]1C(N)=O)CCO2 1053373054 LNNMAIJKBBONLM-STQMWFEESA-N 307.394 -0.013 30 20 DBED C#CCN1CC2(CC[C@H](CNC(=O)c3cc(=O)n(C)cn3)O2)C1 1053613416 DAQFAJKQLGSPCI-GFCCVEGCSA-N 316.361 -0.623 30 20 DBED C#CCN1CC2(CC[C@@H](CNC(=O)[C@@H]3CN(CC)CCO3)O2)C1 1053699863 KCCZCQIXTUQLPB-GJZGRUSLSA-N 321.421 -0.310 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)[C@@H]3CCCNC3=O)CO2)C1 1053836328 VOPOMVFVOPMDQC-QWHCGFSZSA-N 305.378 -0.505 30 20 DBED C=CCn1cc(C(=O)N[C@H]2COC3(C2)CN(CCO)C3)nn1 1053949698 NXPXVSHHEMFQIS-LLVKDONJSA-N 307.354 -0.971 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1NCCN1C(=O)CCC1=O 1054628975 ODWJCYZCBLMIGC-OCCSQVGLSA-N 317.389 -0.015 30 20 DBED C=CCCO[C@@H](C)C(=O)N1C[C@@H]2CN(C(=O)CC(N)=O)C[C@@H]2C1 1055223168 SEPNRYYDLJFKPL-RWMBFGLXSA-N 323.393 -0.240 30 20 DBED Cn1cc(C(=O)N[C@H]2[C@@H]3CN(c4cnc(C#N)cn4)C[C@@H]32)cn1 1056134632 JMLDUHVDQGNEBN-IMRBUKKESA-N 309.333 -0.054 30 20 DBED N#Cc1cccnc1N1C[C@H]2C(NC(=O)c3c[nH]c(=O)cn3)[C@@H]2C1 1056388963 IRNAMAKAZKWTBO-GHMZBOCLSA-N 322.328 -0.099 30 20 DBED C#Cc1ccc(C(=O)NCCN(CCO)C(=O)COCC)cn1 1056866444 GWPADDVRHUJFHP-UHFFFAOYSA-N 319.361 -0.350 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)c1cnc(C)[nH]1 1057194096 YALRRASLTQECOB-UHFFFAOYSA-N 310.354 -0.529 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)c1ccc(O)nc1 1057196477 KHBJSXPWLPLYCG-UHFFFAOYSA-N 323.349 -0.460 30 20 DBED C=CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)[C@H](O)C(C)C 1057921402 GVGULRRVBIPSCK-QWHCGFSZSA-N 316.398 -0.469 30 20 DBED Cn1nnc(C(=O)NC2CCN(c3ccnc(C#N)n3)CC2)n1 1057927966 ZFDBEIFZCHZBPK-UHFFFAOYSA-N 313.325 -0.729 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(CCO)CCNC(=O)C(C)C 1057961272 PAMQSZILGVAIBC-AWEZNQCLSA-N 309.410 -0.323 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)[C@@H]1CC[C@H]1C(N)=O 1058294551 OXIADKAKKIMVKJ-CHWSQXEVSA-N 323.393 -0.762 30 20 DBED Cc1c(C(=O)N[C@H]2CCN(c3cncc(C#N)n3)C2)nnn1C 1058334117 FSJXJEGNEZLKDW-JTQLQIEISA-N 312.337 -0.206 30 20 DBED N#Cc1nccnc1N1CC[C@H](NC(=O)Cn2ccccc2=O)C1 1058367101 DYRNAUBUZOSJSP-LBPRGKRZSA-N 324.344 -0.095 30 20 DBED COc1cc(C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N)on1 1058652585 ASRSSMSFPNAVAU-VIFPVBQESA-N 310.310 -0.606 30 20 DBED CCn1cc(C(=O)NCCN(CCO)C(=O)[C@H](C)C#N)cn1 1058653410 VBMVWESEJRILEW-LLVKDONJSA-N 307.354 -0.387 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)[C@@H]1CCCCC(=O)N1 1058656640 HRKMBFUFRSWWHF-NEPJUHHUSA-N 324.381 -0.858 30 20 DBED N#Cc1ccc(N[C@H]2C[C@H](NC(=O)c3c[nH]c(=O)cn3)C2)nn1 1059388572 YQLHBRKQANCTJV-MGCOHNPYSA-N 311.305 -0.196 30 20 DBED C=CCOCC(=O)NCC[C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 1060258517 IGWIEMNPFIRTFD-RYUDHWBXSA-N 324.381 -0.775 30 20 DBED N#Cc1nc(=N[C@@H]2CC[C@@H]3CN(C(=O)c4nc[nH]n4)C[C@@H]32)cc[nH]1 1060534505 AVBNSXUBLYZWNW-OUAUKWLOSA-N 324.348 -0.149 30 20 DBED N#Cc1nccc(N2CCC[C@H]2CNC(=O)[C@@H]2CCC(=O)N2)n1 1061380546 YDPSCLPLYXSROJ-QWRGUYRKSA-N 314.349 -0.288 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1COCCN1C(=O)Cc1cnc[nH]1 1061568424 IREMLTUTDIAOJF-CQSZACIVSA-N 318.377 -0.045 30 20 DBED C#CCOCCC(=O)NC[C@H]1COCCN1C(=O)COCC=C 1061580535 ADIRVFYQSCEGCS-AWEZNQCLSA-N 324.377 -0.428 30 20 DBED CNC(=O)C1(C(=O)NC[C@H]2COCCN2C(=O)[C@@H](C)C#N)CC1 1061700523 GFOPCQFFMOHNEE-QWRGUYRKSA-N 322.365 -0.984 30 20 DBED N#Cc1cncc(N2[C@H]3CC[C@H]2CN(C(=O)Cc2nc[nH]n2)C3)n1 1061989268 IODJQGMZGAFKOE-RYUDHWBXSA-N 324.348 -0.111 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(NC(=O)[C@@H]2CNC(=O)N2)CCC1 1062865575 DFEHVAIQZTZCDP-HZMBPMFUSA-N 324.381 -0.850 30 20 DBED CN(C(=O)Cn1cnnn1)[C@@H]1CCN(c2ccncc2C#N)C1 1062883976 ONXVGUXWXGHQKM-GFCCVEGCSA-N 312.337 -0.323 30 20 DBED N#Cc1cnc(N2CC[C@H]3CN(C(=O)CC(N)=O)CC[C@H]32)cn1 1063998334 AZVLMTIVOPWNIT-CMPLNLGQSA-N 314.349 -0.349 30 20 DBED N#Cc1cnc(NC[C@H]2CCCC[C@H]2NC(=O)C(N)=O)cn1 1064188025 KLXSLBZFVDWPGS-MWLCHTKSSA-N 302.338 -0.080 30 20 DBED C=CCCC(=O)N1CCO[C@@H](CNC(=O)c2cn(C)nn2)C1 1064956094 QZJQGNFNQYPUIE-NSHDSACASA-N 307.354 -0.262 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H]1CN(C(=O)c2cnco2)CCO1 1065387942 JYDKPTJPVDROMN-RYUDHWBXSA-N 321.333 -0.330 30 20 DBED C=CCCCC(=O)NC[C@@H]1CN(C(=O)c2nnn(C)n2)CCO1 1065466791 DGOYGJMDFZHEHA-LLVKDONJSA-N 322.369 -0.476 30 20 DBED N#Cc1cnccc1N1C[C@@H](O)[C@@H](CNC(=O)c2cnccn2)C1 1067645752 QZUZULGZRLMMSJ-SWLSCSKDSA-N 324.344 -0.030 30 20 DBED N#Cc1nccc(N2C[C@@H](O)[C@@H](CNC(=O)c3ccc[nH]3)C2)n1 1067657113 XFBUVDWMHVISMQ-CMPLNLGQSA-N 312.333 -0.097 30 20 DBED C=C1CC(C)(C(=O)N2CC3(CC[C@@H](CNC(=O)C(N)=O)O3)C2)C1 1068617543 BJRPQBSIGJRIBG-NSHDSACASA-N 321.377 -0.296 30 20 DBED C=CCN1C[C@H]2C[C@H]3CN(C(=O)c4ncn(C)n4)C[C@@]3(C1)O2 1070796614 JUFNNPBKEQKAEZ-YWPYICTPSA-N 303.366 -0.084 30 20 DBED C[C@@H]1OCCO[C@@H]1C(=O)N1C[C@@H]2C[C@@H]3CN(CC#N)C[C@]2(C1)O3 1070813291 MRXCAEMYLOAHQF-JHZZJYKESA-N 321.377 -0.384 30 20 DBED C[C@H](C(=O)N1CCC(=O)NCCN(CC#N)CC1)n1cccn1 1070943276 IOQMYECJODVLAZ-CYBMUJFWSA-N 318.381 -0.382 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CCCN(C(=O)CN2CCCNC2=O)C1 1070964905 FUWAAXMNFULVHF-NWDGAFQWSA-N 321.381 -0.331 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)c2[nH]nnc2C)CC1 1070984168 WYFWGFUJHYGIDI-UHFFFAOYSA-N 304.354 -0.990 30 20 DBED Cc1nn[nH]c1C(=O)N[C@@H]1CN(C(=O)CSCC#N)C[C@@H]1C 1071657429 DJNJKWCLHHZTGU-WCBMZHEXSA-N 322.394 -0.053 30 20 DBED Cc1nn(CC(=O)N[C@@H]2CC[C@@H](C)N(CC#N)C2)c(=O)n1C 1072033114 KGECWOMSQNUNJF-ZYHUDNBSSA-N 306.370 -0.617 30 20 DBED C=CCCOCC(=O)N1C[C@H](C)[C@@H](NC(=O)Cn2ncnn2)C1 1072335335 CNLDMXYYSAAUHB-RYUDHWBXSA-N 322.369 -0.771 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@@H]1C 1072615895 CEPIOYSKXFRLRW-CMPLNLGQSA-N 320.349 -0.451 30 20 DBED CC1(NC(=O)C#CC2CC2)CCN(C(=O)Cn2cnnn2)CC1 1072862957 AAWDKDJPNMLKGP-UHFFFAOYSA-N 316.365 -0.416 30 20 DBED CC#CCN1CCCO[C@@H](CNC(=O)c2cc(=O)n(C)cn2)C1 1073642018 GQKBIIXGEDVNPZ-ZDUSSCGKSA-N 318.377 -0.376 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)c2ccc(C(N)=O)nc2)C1 1073908223 DUVNRFIXOILNHV-ZDUSSCGKSA-N 316.361 -0.366 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CCN(C(=O)c2nnn(C)n2)[C@@H](C)C1 1074974977 LKHRVIARSCCNLT-NWDGAFQWSA-N 318.381 -0.021 30 20 DBED C=CCCOCC(=O)N[C@@H]1CCN(C(=O)CC(N)=O)[C@H](C)C1 1075041588 UVOIFMWECNPNRM-VXGBXAGGSA-N 311.382 -0.050 30 20 DBED C#CCN[C@H]1CCCO[C@@H]1C1CCN(C(=O)CC(N)=O)CC1 1075407055 VPMAAMPHKLFGNM-XJKSGUPXSA-N 307.394 -0.129 30 20 DBED C=CCCN1C[C@@H]2CCN(C(=O)CN3CCN(C)C(=O)C3)[C@@H]2C1 1075966131 PLXDKYLYBODAFV-LSDHHAIUSA-N 320.437 -0.131 30 20 DBED C[C@@H](CCNC(=O)C(C)(C)C(N)=O)NC(=O)CSCC#N 1076964967 IIGYFQLRRSTZJM-VIFPVBQESA-N 314.411 -0.234 30 20 DBED C[C@@H](CCNC(=O)[C@H](C)C#N)NC(=O)c1ccc(=O)n(C)n1 1078138123 RJCOMPICCMRZOE-ZJUUUORDSA-N 305.338 -0.435 30 20 DBED C#CCN[C@@H]1C[C@@H](NC(=O)CN2CC(=O)NC2=O)C12CCC2 1078749327 LVOJQDBWWCZQQR-GHMZBOCLSA-N 304.350 -0.812 30 20 DBED C=C[C@](C)(O)CC(=O)N(CC)C1CN(C(=O)[C@@H]2CCC(=O)N2)C1 1079686345 AOVMDCHGSPDKDO-LRDDRELGSA-N 323.393 -0.349 30 20 DBED C=CCOCC(=O)N1C[C@H](CNC(=O)c2cn(C)cn2)[C@@H](O)C1 1081408905 TVCRLENTXYIIRO-AAEUAGOBSA-N 322.365 -0.828 30 20 DBED Cc1nn[nH]c1C(=O)NC[C@@H]1CN(C(=O)C#CC(C)C)C[C@@H]1O 1081637629 OOYPXAWBSMKURT-NEPJUHHUSA-N 319.365 -0.678 30 20 DBED C#CCCN1C[C@@H](NC(=O)c2ccc(C(N)=O)[nH]2)[C@H](OC)C1 1082142980 NMIGODWVFQBPGF-CHWSQXEVSA-N 304.350 -0.434 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)Cn1nnnc1C(C)C 1083218269 JZSJQAUHFCUUGD-QWHCGFSZSA-N 318.381 -0.659 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2c3c(nn2C)CCCC3)C1 1083494171 NAYYULXULLXBEM-KGLIPLIRSA-N 302.378 -0.293 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)[C@H]2CCCNC2=O)C1 1083542256 QHUDLDAIMSVRBD-AXFHLTTASA-N 301.774 -0.574 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)Cn2nnc3c2CCCC3)C1 1083785591 JLBABBGDLKFFBU-HIFRSBDPSA-N 319.409 -0.106 30 20 DBED C[C@H](C[C@@H](C)Nc1cncc(C#N)n1)NC(=O)c1nnn(C)n1 1089451904 WDPHOFLAKVBECM-RKDXNWHRSA-N 315.341 -0.119 30 20 DBED CCN(c1ccnc(C#N)n1)[C@H](C)CNC(=O)[C@@H]1COC(=O)N1 1089636395 XPDJJIFRXRPULV-ZJUUUORDSA-N 318.337 -0.212 30 20 DBED N#CCN1CC[C@H](NC(=O)c2ccc3nn[nH]c3n2)[C@H](O)C1 1090310066 KEPZYCUKEZQNGR-GZMMTYOYSA-N 301.310 -0.959 30 20 DBED CCO[C@H](CC)C(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1O 1090378095 SAJQUNWMBPLVSL-JHJVBQTASA-N 319.365 -0.171 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2cc3ncccn3n2)[C@H](O)C1 1090660216 OZVMSNGLOLISAZ-GXTWGEPZSA-N 313.361 -0.082 30 20 DBED C=CCCN1CC[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)[C@@H](O)C1 1090723450 WXZQYQUKAGFQGT-NEPJUHHUSA-N 324.381 -0.992 30 20 DBED C#CCN1CC[C@H](NC(=O)c2ccc(N(C)C)cn2)[C@@H](O)C1 1090840438 ZPFYBZDGYWSKCN-ZFWWWQNUSA-N 302.378 -0.054 30 20 DBED CN(CCOCCN(C)c1ccc(C#N)nc1)C(=O)CC(N)=O 1091887484 UDTKFRLCZPPOMA-UHFFFAOYSA-N 319.365 -0.260 30 20 DBED C#CCCN1C[C@@H]2CN(C(=O)[C@H]3CN(C)C(=O)N3)C[C@]2(C)C1 1091917454 YFZIMSIDTPNUDA-IOASZLSFSA-N 304.394 -0.186 30 20 DBED C=CCCC(=O)N[C@H]1CCN(c2ccc3nnnn3n2)C[C@H]1O 1092153070 BWJYXLNXHNIWBU-WDEREUQCSA-N 317.353 -0.459 30 20 DBED CC(C)[C@@H]1N(C(=O)c2nc[nH]n2)C[C@@]12C[C@@H](O)[C@H](NCC#N)C2 1093469602 IROAVOGGXZPICX-MCYUEQNJSA-N 318.381 -0.092 30 20 DBED CC(=O)N[C@@](C)(C(=O)NCCN=c1cc[nH]c(C#N)n1)C(C)C 1093689438 XJWNCNKCXGEDIN-OAHLLOKOSA-N 318.381 -0.151 30 20 DBED C[C@H](NC(=O)C1CCC1)C(=O)NCCN=c1cc[nH]c(C#N)n1 1093712212 PPZDRJWKSQWABH-JTQLQIEISA-N 316.365 -0.397 30 20 DBED N#Cc1cncc(NCCCNC(=O)CN2CCOCC2)n1 1094371925 XZRBLQPZFHHWFW-UHFFFAOYSA-N 304.354 -0.401 30 20 DBED C=CCN1CCN(C(=O)[C@H](C)OC)[C@@H]2CS(=O)(=O)C[C@@H]21 1094612799 PDVYFDNMMYIVNN-SDDRHHMPSA-N 302.396 -0.483 30 20 DBED CN1CC[C@H](C(=O)NCCCN=c2cc[nH]c(C#N)n2)C1=O 1094705620 RJJCJOSVAJCBNL-SNVBAGLBSA-N 302.338 -0.833 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](N(C)c2ncccn2)C1 1095111697 ZAXOPXHWBATVCK-GFCCVEGCSA-N 301.350 -0.347 30 20 DBED COCCOCC(=O)N[C@H]1CCN(c2ccc(C#N)nn2)C1 1096340971 NZUOPQMTGLNWDC-LBPRGKRZSA-N 305.338 -0.294 30 20 DBED COc1cc(C(=O)NC[C@@H](C)N=c2cc[nH]c(C#N)n2)on1 1097787362 FJOISAHAKMXRBS-MRVPVSSYSA-N 302.294 -0.003 30 20 DBED Cc1cc(=N[C@@H](C)CNC(=O)[C@H]2CN(C)C(=O)N2)c(C#N)c[nH]1 1098213561 KTPYUQQKCBYUSZ-GXFFZTMASA-N 316.365 -0.376 30 20 DBED C=CCCN1CC[C@@H](NC(=O)CCS(=O)(=O)NC)[C@H](O)C1 1099832607 JWGYSJGYNXUSOL-VXGBXAGGSA-N 319.427 -0.947 30 20 DBED C#CCN1C[C@@H]2CN(C(=O)CCNC(=O)COC)C[C@]2(C)C1 1101257568 APIUIGQZECSIFY-CJNGLKHVSA-N 307.394 -0.447 30 20 DBED CN1CCO[C@@H](C(=O)N(C)CCNc2cncc(C#N)n2)C1 1101538352 UJWWHNFVAOFDMU-GFCCVEGCSA-N 304.354 -0.451 30 20 DBED C[C@@H](CC(=O)N(C)CCNc1nccnc1C#N)NC(N)=O 1101785862 MILDVPGRDAOQNF-VIFPVBQESA-N 305.342 -0.335 30 20 DBED CN1C[C@H](C(=O)N(C)CCNc2ncc(C#N)cc2F)NC1=O 1101903018 MSSKLZUKDANZJV-LLVKDONJSA-N 320.328 -0.014 30 20 DBED CO[C@@H](C(=O)NC[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C)C(C)C 1102322285 MDZKFPHZQBKQEH-UMVBOHGHSA-N 324.425 -0.019 30 20 DBED N#Cc1ccc(N2CCCC[C@@H](NC(=O)CC(N)=O)C2)nn1 1102863472 XSWRUMCCINAHHG-LLVKDONJSA-N 302.338 -0.301 30 20 DBED CC[C@H](CNC(=O)CCNC(N)=O)Nc1nccnc1C#N 1103092038 LBYJRFACBKGILW-SECBINFHSA-N 305.342 -0.287 30 20 DBED CC[C@@H](CNC(=O)CNC(=O)NC)N=c1cc[nH]cc1C#N 1103352600 KFXGRZMAPHHEMG-NSHDSACASA-N 304.354 -0.389 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1CCNC(=O)CN1CC(=O)N(C)C1=O 1103638482 GLVWNOOJXPXHPF-VXGBXAGGSA-N 321.381 -0.522 30 20 DBED C[C@H](CNC(=O)[C@H]1CCC(=O)N1)CNc1ccc(C#N)nn1 1103901712 KCKJAOXTCDLUMP-GXSJLCMTSA-N 302.338 -0.209 30 20 DBED C[C@@H](CNC(=O)c1cnnn1C)CNc1cnc(C#N)cn1 1103962198 SIOVJJPDZIGFLT-SECBINFHSA-N 300.326 -0.045 30 20 DBED COCCC(=O)NC[C@@H]1CN(c2ccc(C#N)nn2)CCO1 1104284856 PHOYLFMTFDAHDT-GFCCVEGCSA-N 305.338 -0.294 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)c1ncn(C)n1 1104545644 OBBMLLMXFKPBKH-SECBINFHSA-N 300.326 -0.529 30 20 DBED CC(C)[C@H](CNC(=O)CNC(N)=O)N=c1cc[nH]cc1C#N 1105106271 PUGCRCOOGNIGFS-LBPRGKRZSA-N 304.354 -0.404 30 20 DBED C[C@@H]1[C@H](C(=O)N2CC(n3cc(CNCC#N)nn3)C2)CCN1C 1105242732 FWEPQYMHUDHYLG-BXUZGUMPSA-N 317.397 -0.385 30 20 DBED CCCC(=O)NCC(=O)NC[C@H](O)CNc1nccnc1C#N 1105727057 FUOMGHBOVVNILK-JTQLQIEISA-N 320.353 -0.846 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)c2ccc(O)nn2)nn1 1105735325 OTVSJHUOHIZAOQ-VIFPVBQESA-N 315.293 -0.953 30 20 DBED CCCCO[C@H](C)C(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1 1105738157 PUJCTCIBTFCMDT-NEPJUHHUSA-N 321.381 -0.136 30 20 DBED Cc1ccc(C#N)c(NC[C@@H](O)CNC(=O)c2ncn(C)n2)n1 1105816422 ZBHZKWCFCVOQFL-LLVKDONJSA-N 315.337 -0.407 30 20 DBED Cc1cc(=NC[C@H](O)CNC(=O)c2nonc2C)c(C#N)c[nH]1 1105884658 NBSVFUCCAIEYMC-NSHDSACASA-N 316.321 -0.422 30 20 DBED Cc1cnoc1C(=O)NC[C@H](O)CN=c1cc[nH]cc1C#N 1105939662 XRIKSNXCAZJOAK-LLVKDONJSA-N 301.306 -0.126 30 20 DBED C[C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@H]1CNCC(=O)NCC#N 1105945013 HWDJLMHLGIPPMM-MGPQQGTHSA-N 321.425 -0.596 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](O)CNC(=O)[C@@]2(F)CCOC2)n1 1106073837 ZAXGVXYVHXNLJN-SMDDNHRTSA-N 323.328 -0.326 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](O)CNC(=O)CCCN(C)C)n1 1106075846 LUEPSJWLNNFWMD-ZDUSSCGKSA-N 320.397 -0.113 30 20 DBED CC[C@H](NC(C)=O)C(=O)NC[C@H](O)CNc1nccnc1C#N 1106123047 IWEIWQFETLRHKD-MNOVXSKESA-N 320.353 -0.848 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)[C@@H]2CCC(=O)NC2)cn1 1106170682 VNXFACHHHPABLN-MFKMUULPSA-N 317.349 -0.632 30 20 DBED N#Cc1c[nH]ccc1=NC/C=C/CNC(=O)CN1CCOCC1 1107133412 GNUPHJACVGHDDS-OWOJBTEDSA-N 315.377 -0.208 30 20 DBED N#Cc1nc(=NC/C=C/CNC(=O)[C@H]2CCCNC2=O)cc[nH]1 1107389616 NISOGJICUKHBIO-FMBMQGQPSA-N 314.349 -0.619 30 20 DBED CS(=O)(=O)CCC(=O)NC/C=C\CNc1cncc(C#N)n1 1107575447 CHZJMXYLBIHATQ-IHWYPQMZSA-N 323.378 -0.133 30 20 DBED C=CCOCCN1CCO[C@](C)(CNC(=O)c2cnnn2C)C1 1107910713 MYGJRZQLZWRIEN-OAHLLOKOSA-N 323.397 -0.162 30 20 DBED COc1nc(C(=O)N[C@H](C)CN=c2cc[nH]c(C#N)n2)co1 1108029724 LBYAAZYHXOVGMY-MRVPVSSYSA-N 302.294 -0.003 30 20 DBED CO[C@H](C(=O)NC[C@@]1(C)CN(CC#N)CCO1)c1cnn(C)c1 1108098831 ANZLSSXXUFKVAD-ZFWWWQNUSA-N 321.381 -0.162 30 20 DBED C=C(Cl)CN1CCO[C@@](C)(CNC(=O)c2nnn(C)n2)C1 1108137035 WQBQORNLOAPKIK-LBPRGKRZSA-N 314.777 -0.217 30 20 DBED CCc1nc(C#N)cc(NC[C@H](C)NC(=O)CNC(N)=O)n1 1108243133 UHQGHZWQAILNQM-QMMMGPOBSA-N 305.342 -0.504 30 20 DBED CCCS(=O)(=O)CC(=O)NC[C@]1(C)CN(CC#N)CCO1 1108404520 CKDMJCAULSUUQQ-CYBMUJFWSA-N 317.411 -0.458 30 20 DBED C=CCCO[C@@H](C)C(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1 1108518027 RCOARLQLLCCDFB-STQMWFEESA-N 320.393 -0.108 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)[C@@H]1CCCNC1=O 1108570140 BLSISTFVIIGHIP-VHSXEESVSA-N 302.338 -0.787 30 20 DBED C[C@@H](CN=c1cc[nH]cc1C#N)NC(=O)[C@H]1CCCC(=O)N1 1108570792 DUOXJJIGGHWPSQ-GXFFZTMASA-N 301.350 -0.040 30 20 DBED C=CCNC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cnn[nH]1 1109482339 ZCDMHDRUQBPFNW-DCQANWLSSA-N 318.381 -0.170 30 20 DBED CC[C@H](OC)C(=O)NC[C@]1(O)CCN(c2cnc(C#N)cn2)C1 1111044536 ZTRUXXLACWHNTC-SWLSCSKDSA-N 319.365 -0.169 30 20 DBED COCCC(=O)N[C@]1(CO)CCCN(c2ccc(C#N)nn2)C1 1111329583 FRPGAZMYXQLKSR-OAHLLOKOSA-N 319.365 -0.168 30 20 DBED C[C@H]1CN(C(=O)CCNC(N)=O)C[C@H]1Nc1ccc(C#N)nn1 1112312484 HCVGRHAHIILJOG-GXSJLCMTSA-N 317.353 -0.335 30 20 DBED CN(C)CCC(=O)NC[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1O 1112754546 CDZLVYWHMKFWHR-IUODEOHRSA-N 317.393 -0.182 30 20 DBED C=C(C)CN(CC)C(=O)CN1CCN(C(=O)c2nc[nH]n2)CC1 1113441682 NDRHIHLLBQDMKF-UHFFFAOYSA-N 320.397 -0.013 30 20 DBED C=CCOCCN1CCN(C(=O)C[C@@H]2CC(=O)NC2=O)CC1 1113743347 HVYBOCKPRKNRQP-LBPRGKRZSA-N 309.366 -0.614 30 20 DBED CNC(=O)NCC(=O)NC[C@@H](C)N(C)c1ccc(C#N)nc1 1113938897 PBWSNMSVUYRWLP-SNVBAGLBSA-N 304.354 -0.177 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)CC(C)(C)O)[C@H]2C1 1114212501 KIRNCUZTTAQFBC-CIQGVGRVSA-N 309.410 -0.116 30 20 DBED C=CCS(=O)(=O)CCNC(=O)[C@H](C)N1CCN(C)CC1 1116548934 ZDXYATHGRJZXAA-LBPRGKRZSA-N 303.428 -0.661 30 20 DBED C[C@@H](NC(=O)C(=O)N1CCN(CCC#N)CC1)[C@@H]1CCOC1 1119139655 VKFVCTSPPBMTNI-CHWSQXEVSA-N 308.382 -0.415 30 20 DBED CC(C)[C@@H](N)CNC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1119293894 JCXYUUOBRRNHGN-STQMWFEESA-N 307.398 -0.715 30 20 DBED Cc1ncncc1C(=O)NC[C@H](CO)Nc1nccnc1C#N 1121085797 BVYITOZWIMEMKV-SNVBAGLBSA-N 313.321 -0.351 30 20 DBED Cc1cccnc1C(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1 1121421365 ZGFUNPWPRKRGCE-NSHDSACASA-N 312.333 -0.324 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1 1122594584 UFCQTWIGPHWXAV-TUAOUCFPSA-N 317.349 -0.750 30 20 DBED CNC(=O)NCC(=O)N1C[C@H](Nc2ccc(C#N)nn2)C[C@@H]1C 1123322350 YKYWPWXDBLSGNH-GXSJLCMTSA-N 317.353 -0.321 30 20 DBED CN(C[C@@H](O)CNc1cncc(C#N)n1)C(=O)c1ccnn1C 1124148500 BKKCVEHZTLHMGD-NSHDSACASA-N 315.337 -0.373 30 20 DBED CN(C[C@@H](O)CNc1cnc(C#N)cn1)C(=O)Cc1cc[nH]n1 1124186197 ZVDALMIGFORVFO-LBPRGKRZSA-N 315.337 -0.455 30 20 DBED CN1CC[C@H](C(=O)N(C)C[C@@H](O)CNc2ccc(C#N)nn2)C1 1124351730 DQDDTSLPNHJDQD-AAEUAGOBSA-N 318.381 -0.469 30 20 DBED C#CCC1(C(=O)NCCNCc2cn(C)nn2)CCOCC1 1129117168 VEDOWEQFCMIANT-UHFFFAOYSA-N 305.382 -0.159 30 20 DBED C#CCC1(C(=O)NCCNCC(=O)NC(=O)NC2CC2)CCC1 1129120886 JBYXMVTWXRLKBX-UHFFFAOYSA-N 320.393 -0.126 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@@H]1CCCN1C1CCCC1 1129429205 DPYIZOILHHYDOC-HNNXBMFYSA-N 320.437 -0.151 30 20 DBED CC(=O)NCC(=O)NCc1c[nH]nc1[C@H]1CCN(CC#N)C1 1130337287 ADNNTWPFCLQTFY-NSHDSACASA-N 304.354 -0.525 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@@H]1CCc2nc(C)[nH]c2C1 1130490365 BVCGDNHAWFJHLM-GFCCVEGCSA-N 319.409 -0.169 30 20 DBED N#CCSCC(=O)N1C[C@@H]2C[C@@H]3CN(CCO)C[C@]2(C1)O3 1131194042 JRCITQDOGLCNPV-OUCADQQQSA-N 311.407 -0.463 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1cc(OCC)no1 1131422228 RJAVZINCFOWCSQ-SNVBAGLBSA-N 308.338 -0.469 30 20 DBED C=C[C@@H](C)[C@H](C)C(=O)NCCNCc1cc(=O)n(C)c(=O)n1C 1132577668 YPNVSTAIPNKYNF-NEPJUHHUSA-N 322.409 -0.252 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)c1cncnc1 1134153098 VMLDFPPVEBXDFV-NEPJUHHUSA-N 303.366 -0.288 30 20 DBED C[C@@H](C[C@@H](C)NCC(=O)NCC#N)NC(=O)CN(C)C1CCC1 1134607988 OYJUNFAUAVPDMF-OLZOCXBDSA-N 323.441 -0.017 30 20 DBED Cc1nn[nH]c1C(=O)N[C@H](C)C[C@H](C)NCC(=O)NCC#N 1135161222 KLOJRMXETDKBON-DTWKUNHWSA-N 307.358 -0.761 30 20 DBED C=C(Br)CNCCNC(=O)C1CC(=O)NC(=O)C1 1135277156 YUXFFXJSSRMBNR-UHFFFAOYSA-N 318.171 -0.346 30 20 DBED C=CCN[C@H](C)C[C@@H](C)NC(=O)Cn1ncn2nccc2c1=O 1135614380 RWUMDOHUASQEML-VXGBXAGGSA-N 318.381 -0.050 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC2(CN(C(=O)c3ccon3)C2)C1 1147071831 OFQQKODDFSGEGE-LBPRGKRZSA-N 316.361 -0.040 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)[C@H](NC(C)=O)C(C)C)C1=O 1148465833 OFMYOUKUHKAJRX-UONOGXRCSA-N 324.425 -0.360 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C[C@@H](O)COC)CCCO1 1149385064 YIVUACZYZJWOOA-ZIAGYGMSSA-N 316.398 -0.597 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)[C@@H](C)n1cncn1 1152899615 IEZJXZNVGCQVAW-VXGBXAGGSA-N 321.385 -0.695 30 20 DBED C#CCO[C@@H](C)C(=O)NCCCNC[C@@H](O)COCCOC 1157874325 NWVSIOMOVXOOFR-UONOGXRCSA-N 316.398 -0.856 30 20 DBED C#CCN1CC=C(CCNC(=O)CNS(=O)(=O)CC)CC1 1160279197 KHCUVLRJHWDVPL-UHFFFAOYSA-N 313.423 -0.303 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)C(C)(C)C(N)=O)C1=O 1160396661 LWJBJMRFJPCYCI-LLVKDONJSA-N 310.398 -0.619 30 20 DBED CC(=O)NCC(=O)N[C@H](C)CCCCNCC(=O)NCC#N 1168873438 IXTKBZPOZUULEU-LLVKDONJSA-N 311.386 -0.973 30 20 DBED C#CCNC(=O)CNCCCC[C@@H](C)NC(=O)CNC(C)=O 1168875240 XVWLAVIOQHHAOC-GFCCVEGCSA-N 310.398 -0.864 30 20 DBED C#CCOCCC(=O)N[C@@H](C)CCCCNCC(=O)NCC#N 1170730703 XVWLNZPMPMNRTJ-AWEZNQCLSA-N 322.409 -0.069 30 20 DBED CC(=O)N[C@](C)(C(=O)NCCCNCC(=O)NCC#N)C1CC1 1170867341 DYLVIWRTGODBBJ-HNNXBMFYSA-N 323.397 -0.973 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1cncnc1C1CC1 1174971604 MWGQTCYYWWEXEQ-UHFFFAOYSA-N 315.377 -0.187 30 20 DBED C=CCCOCC(=O)NCCCNCCN(C)S(C)(=O)=O 1177264388 GADRMRSPWATGGG-UHFFFAOYSA-N 321.443 -0.434 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)[C@H](CC(C)C)C(N)=O 1177524876 UORSJTADXJEAGG-CHWSQXEVSA-N 324.425 -0.632 30 20 DBED C=CCN1CC[C@@H](N[C@H]2CCN(C(=O)CC(=O)NC)[C@H]2C)C1=O 1178548373 VKCCNUISHDIZGJ-RWMBFGLXSA-N 322.409 -0.512 30 20 DBED N#CCNC(=O)CNCCCCCCNC(=O)c1ccnnc1 1179671802 NCQFWQGXPPFOTA-UHFFFAOYSA-N 318.381 -0.004 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2cn(CC)nn2)[C@H]1C 1179799198 NBHWERZNHXMPNG-RYUDHWBXSA-N 318.381 -0.760 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](NCC(=O)Nc2cnccn2)C1 1181651695 FHYRGHLHTPTDCA-WDEREUQCSA-N 302.338 -0.235 30 20 DBED C#CCNC[C@]1(C)CN(C(=O)CS(=O)(=O)NC)C[C@H]1C 1183449173 TWRQGJWJBSDYJA-DGCLKSJQSA-N 301.412 -0.757 30 20 DBED C[C@H]1CN(C(=O)c2cn(C)c(=O)cn2)CC[C@@H]1CNCC#N 1184852559 WYBBUWZPMXFZAK-NWDGAFQWSA-N 303.366 -0.008 30 20 DBED Cc1ocnc1C(=O)N1CC[C@H]2CN(CC(=O)NCC#N)C[C@H]21 1187092818 APDLPHXUPFGNJV-NWDGAFQWSA-N 317.349 -0.231 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)Cc2cc[nH]n2)C1 1189498369 ANRSWSNNLKBQDK-CYBMUJFWSA-N 305.382 -0.213 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)[C@H](C)NC(=O)CC)C1 1190307626 KVHDRPYDMJFSMF-STQMWFEESA-N 324.425 -0.264 30 20 DBED C=CCCO[C@H](C)C(=O)N[C@@H]1CN(CCn2cncn2)C[C@H]1O 1191622433 MMHQFHMDTLBFJT-MGPQQGTHSA-N 323.397 -0.579 30 20 DBED C#CCCN(C)[C@@H]1CCN(C(=O)c2cnc(O)n(C)c2=O)C1 1191674246 FOROHZJMNFOEDZ-LLVKDONJSA-N 304.350 -0.345 30 20 DBED Cc1nc(C)n(CCN2C[C@@H](O)[C@H](NC(=O)[C@H](C)C#N)C2)n1 1191865183 SHZLSEZYDOZTNA-OASPWFOLSA-N 306.370 -0.784 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(Cc2conc2C)C[C@H]1O 1192529920 IRLYNWLPEYHAHC-UMVBOHGHSA-N 309.366 -0.029 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(CCOC2CCC2)C[C@H]1O 1192886692 VYKVZLHRRFOAMD-HUUCEWRRSA-N 310.394 -0.243 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2cn(CC)cn2)C1 1193489344 WKBCDARVBLFCNZ-ZDUSSCGKSA-N 317.393 -0.201 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(CCOCC)C[C@H]1O 1193850378 XVFREYRSIGMXRM-QLFBSQMISA-N 309.410 -0.718 30 20 DBED C#CCOCCC(=O)N1CCCN(CCn2cncn2)CC1 1195798882 OLGDQSMWFXTBJX-UHFFFAOYSA-N 305.382 -0.148 30 20 DBED C=C[C@@](C)(CC)C(=O)N[C@@H]1CN(Cc2nnnn2C)C[C@H]1O 1195932585 SJLJGFYBONIWII-GYSYKLTISA-N 308.386 -0.526 30 20 DBED C=CCOCCN1CCCN(C(=O)C2CS(=O)(=O)C2)CC1 1195935745 ROVNXJTUYDTCAQ-UHFFFAOYSA-N 316.423 -0.232 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)c2cc(C(C)C)[nH]n2)C1 1196333804 RGXPDCVOSHJEPW-HUUCEWRRSA-N 320.393 -0.042 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)CC2CCN(C)CC2)C1 1196637328 JPDCOKFSWJZUJG-HZPDHXFCSA-N 323.437 -0.471 30 20 DBED N#CCNC(=O)CN1CCCN(C(=O)[C@@H]2C[C@]23CCOC3)CC1 1197722058 WCHOEUOKGURATI-BBRMVZONSA-N 320.393 -0.413 30 20 DBED CCNC(=O)CNC[C@@H]1CN(C(=O)C#CC2CC2)CCCO1 1200452248 FRXUIKIDXBPWOE-CQSZACIVSA-N 307.394 -0.257 30 20 DBED CNC(=O)[C@@H](C)NC[C@@H]1CN(C(=O)C#CC2CC2)CCCO1 1200452557 JCYMWBKXIXLZBB-TZMCWYRMSA-N 307.394 -0.259 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCCO[C@@H](CNCCCO)C1 1200722132 UNAGADLCFGYNRN-HOTGVXAUSA-N 323.437 -0.327 30 20 DBED C#CCC1(C(=O)N2CCC(NCC(=O)NC(N)=O)CC2)CCC1 1200995821 XYPULGYGXPHWKS-UHFFFAOYSA-N 320.393 -0.045 30 20 DBED Cc1ccn(CC(=O)N2CCCO[C@H](CNCC#N)C2)c(=O)c1 1201524387 IMGTYSVTACHLNU-CQSZACIVSA-N 318.377 -0.113 30 20 DBED COc1cncc(C(=O)N2CCCO[C@H](CNCC#N)C2)n1 1201569354 ONICZECPKCAQLC-LLVKDONJSA-N 305.338 -0.171 30 20 DBED N#CCNC[C@H]1CN(C(=O)CC(=O)NCC2CC2)CCCO1 1201822861 FIPGZLQKZVZGNU-ZDUSSCGKSA-N 308.382 -0.367 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)[C@@H]2CCCN2C(N)=O)CCCO1 1202235740 MJJUKKBJYCJIHK-KGLIPLIRSA-N 322.409 -0.240 30 20 DBED C=CCCNC[C@@H]1CN(C(=O)C[C@@H]2CC(=O)NC2=O)CCCO1 1202252498 YYCHJWYZEVBTFL-QWHCGFSZSA-N 323.393 -0.178 30 20 DBED C#CCNC(=O)CC(=O)N1CCC(CN[C@H](CC)C(N)=O)CC1 1205050176 LGFUOOFECULMRN-CYBMUJFWSA-N 322.409 -0.782 30 20 DBED C=CCCNCC1CCN(C(=O)CN2CCNC(=O)C2)CC1 1205860861 QCJWCLKHIIEENN-UHFFFAOYSA-N 308.426 -0.178 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@@H](C)n2cncn2)C1 1207829938 VKXBPHJDMHCCSS-CHWSQXEVSA-N 320.397 -0.278 30 20 DBED COCC#CCN1C[C@@H](NC(=O)[C@@H]2CCCN2C)[C@H](OC)C1 1212026598 QMLAAZOBPUYVIL-QLFBSQMISA-N 309.410 -0.454 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(Cc2cnn(C)n2)C[C@H]1OC 1212032332 WAGUZACEJRLIQT-CHWSQXEVSA-N 309.370 -0.667 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@@]2(CC(C)C)CCNC2=O)[C@H](OC)C1 1212426173 RRLVYVJQSNGNRC-CKEIUWERSA-N 321.421 -0.013 30 20 DBED CCC1(C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@H]2OC)CC1 1213386940 DFNVGASYRYXVOY-VXGBXAGGSA-N 308.382 -0.368 30 20 DBED C#CCN1C[C@@H](NC(=O)c2cnn(CCOCC)c2)[C@H](OC)C1 1213625293 UQATZJZYFVGFMQ-HUUCEWRRSA-N 320.393 -0.018 30 20 DBED C=CCCN[C@@H]1CN(C(=O)C2CC3(C2)NC(=O)NC3=O)C[C@H]1C 1215873597 XKEIFZQOGHVPOC-QZCIIZHISA-N 320.393 -0.013 30 20 DBED CC#CCN[C@@H]1CN(C(=O)CN2C(=O)CN(C)C2=O)C[C@H]1C 1216710696 RWMDVEVGPMMJOG-VXGBXAGGSA-N 306.366 -0.660 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CNC(=O)C1CCCC1 1217958165 BVLSWSKVCCMWPH-LSDHHAIUSA-N 319.405 -0.162 30 20 DBED C=CCN1CC[C@@H](N2C[C@H](O)[C@H](NC(=O)CSC)C2)C1=O 1219157403 VCRNHJLFKZTONU-UTUOFQBUSA-N 313.423 -0.702 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(CCNC(=O)NC(C)C)C[C@@H]1O 1219587525 JOLXOCSVPKXJPJ-KGLIPLIRSA-N 324.425 -0.485 30 20 DBED Cc1coc(C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@@H]2O)c1 1220177035 ZGHKFMGMVZQJQQ-MNOVXSKESA-N 306.322 -0.997 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)c2c[nH]cc2C)C1 1220977978 HQNPJLKCVRTNEX-BNOWGMLFSA-N 320.393 -0.211 30 20 DBED CO[C@H](C)CC(=O)N1C[C@H]2CCN(CC(=O)NCC#N)C[C@H]21 1221430370 BNPWXYPBPJKJII-JHJVBQTASA-N 308.382 -0.416 30 20 DBED N#CCN1CC[C@@H]2CN(C(=O)C(=O)NCC(F)(F)F)[C@@H]2C1 1221902038 FPCPTGFWPFFWQW-RKDXNWHRSA-N 304.272 -0.279 30 20 DBED C=CCN1CC[C@@H](N[C@@H]2CCCC[C@H]2NC(=O)CC(N)=O)C1=O 1225508312 HPQQZSZYRFWCDM-JHJVBQTASA-N 322.409 -0.334 30 20 DBED CS(=O)(=O)NCCN1CCC(NC(=O)C#CC2CC2)CC1 1227299447 QOUWAVFUZVBTTQ-UHFFFAOYSA-N 313.423 -0.470 30 20 DBED Cc1nc[nH]c1CC(=O)NC1CCN(CC(=O)NCC#N)CC1 1230125184 SDUFWVKKGYONSL-UHFFFAOYSA-N 318.381 -0.519 30 20 DBED C=CCOCC(=O)N1CC[C@H](NCCN(C)S(C)(=O)=O)C1 1265422736 YHZGEMDOTPIETI-LBPRGKRZSA-N 319.427 -0.729 30 20 DBED C=CCNC(=O)CNC(=O)C(=O)Nc1cn(C)c(=O)cc1C 1323657173 WTAJZXOBNNEFSL-UHFFFAOYSA-N 306.322 -0.949 30 20 DBED N#C[C@H]1CC[C@@H](NC(=O)C(=O)N2CCC[C@@H](CC(N)=O)C2)C1 1326718154 FQWKUZMKFIYUOC-SDDRHHMPSA-N 306.366 -0.091 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCC[C@H](OCCO)C1)[C@H]1CCCO1 1327259730 VCAMLYKIIYNNCW-MELADBBJSA-N 324.377 -0.717 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CCC[C@@](C)(O)CC2)nn1 1328108321 XCZZOBLIJSAHAX-OAHLLOKOSA-N 321.381 -0.156 30 20 DBED C[C@@H](C#N)CN(C)C(=O)C(=O)N=c1ccnc2n(C)[nH]cc1-2 1329082923 WPVYYKBCLGDPFH-VIFPVBQESA-N 300.322 -0.102 30 20 DBED C#CCCCNC(=O)C(=O)N(C)CC(C)(C)S(C)(=O)=O 1331025458 HQCKSEQGGUGNPG-UHFFFAOYSA-N 302.396 -0.202 30 20 DBED C=CCOCCNC(=O)C(=O)N1CC[C@@](CO)(COC)C1 1333450087 CQVQYORWNQJKEH-CQSZACIVSA-N 300.355 -0.837 30 20 DBED C#CCN1CCC[C@@H](NC(=O)C(=O)N=c2cc[nH]c(C)c2)C1 1337443388 VITMDLLYELZYAC-CQSZACIVSA-N 300.362 -0.036 30 20 DBED CNS(=O)(=O)N1CCC(C(=O)N[C@H](C#N)C(C)C)CC1 1345432416 HYSLOECMGLFOTP-LLVKDONJSA-N 302.400 -0.173 30 20 DBED N#C[C@@]1(F)CCN(C(=O)C(=O)N[C@@H]2CCn3ccnc3C2)C1 1347086462 URIMVZWGRFNGDT-YGRLFVJLSA-N 305.313 -0.222 30 20 DBED C=CCOC[C@H](NC(=O)[C@H]1CN2CCN1C[C@H]2C)C(=O)OC 1347532231 RUFRTSIDRKWLBS-FRRDWIJNSA-N 311.382 -0.765 30 20 DBED Cc1nc(CNC(=O)Cn2cc(C#N)c(O)nc2=O)cs1 1362121751 DXSYSGJBJIJAQZ-UHFFFAOYSA-N 305.319 -0.098 30 20 DBED C[C@H](C(=O)N1CCO[C@@H](C#N)C1)S(=O)(=O)C1CCOCC1 1362126664 OOHBWEWODYRFGP-MNOVXSKESA-N 316.379 -0.280 30 20 DBED N#Cc1ncn(CC(=O)N[C@@H](C2CC2)C2(CO)CCOCC2)n1 1362869627 QUZDFLKZXVMNJC-AWEZNQCLSA-N 319.365 -0.166 30 20 DBED CS(=O)(=O)Cc1noc(NC(=O)N2CCO[C@@H](C#N)C2)n1 1364320938 AKMNJGUVPOKTKC-ZETCQYMHSA-N 315.311 -0.630 30 20 DBED C=C(Cl)CN[C@H](C)CCNC(=O)CN1CCN(C)C(=O)C1 1366483477 ZEEGJPTUCCHMFY-GFCCVEGCSA-N 316.833 -0.003 30 20 DBED C=C(Cl)CN1CC[C@@H](CNC(=O)CN2CCNC(=O)C2)C1 1372632185 IDTPZXWBCFAJFH-LBPRGKRZSA-N 314.817 -0.391 30 20 DBED CNC(=O)NCC(=O)N1CC[C@@]2(CCN(C(=O)[C@H](C)C#N)C2)C1 1379260145 QQXPIXMJSVNPLH-IAQYHMDHSA-N 321.381 -0.474 30 20 DBED CCN(C(=O)Cn1ncnn1)[C@H]1CCN(C(=O)[C@@H](C)C#N)C1 1387978565 MBIHCJMUSBUMKT-QWRGUYRKSA-N 305.342 -0.718 30 20 DBED CN(CCN1CCN(CC(N)=O)CC1)C(=O)c1cc(C#N)c[nH]1 1391336487 JWUQCVHDZZZSFJ-UHFFFAOYSA-N 318.381 -0.939 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@@H](C)CNC(=O)c1ccc(C(N)=O)[nH]1 1395174763 GJVHWEFAONMHCB-IUCAKERBSA-N 305.338 -0.150 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]1CN(C)C(=O)CCc1nc[nH]n1 1396478216 OKAHXJWLHUGIAY-QWRGUYRKSA-N 304.354 -0.044 30 20 DBED C[C@H](CNC(=O)c1cnc2[nH]nnc2c1)NC(=O)[C@H](C)C#N 1408205253 CNCWKENGHJPXTJ-HTQZYQBOSA-N 301.310 -0.253 30 20 DBED CNS(=O)(=O)CC(=O)NCCN(C)Cc1cccc(C#N)c1 1418526536 XWIGMOYUNKNXPK-UHFFFAOYSA-N 324.406 -0.345 30 20 DBED Cc1c[nH]c(CNc2c(C#N)c(=O)n(C)c(=O)n2C)c(C)c1=O 1421277990 HTCVLZJVBOQZTG-UHFFFAOYSA-N 315.333 -0.127 30 20 DBED C=C(Br)CNC[C@@H](O)CNC(=O)[C@H](C)NC(N)=O 1445145948 IPPOCMFOURRFRU-JGVFFNPUSA-N 323.191 -0.982 30 20 DBED COCC(=O)NCc1cc(O)nc(CNC(=O)[C@@H](C)C#N)n1 1446057043 WJBYHFSUQASUTC-QMMMGPOBSA-N 307.310 -0.779 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](C1CC1)N(C)C(=O)c1cn(C)nn1 1450834777 YKWYANUJNVRELW-BXKDBHETSA-N 304.354 -0.058 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CN(C)C(=O)c1cc(C#N)c[nH]1 1451817789 PYHAZANYOMDVPN-KOLCDFICSA-N 303.322 -0.405 30 20 DBED N#CC1(C(=O)N2CCC(CS(N)(=O)=O)CC2)CCOCC1 1472503867 GXYLITXENALKHW-UHFFFAOYSA-N 315.395 -0.166 30 20 DBED C#CCNC(=O)CNCC[C@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 1501638279 UZYLRXUGKURQAU-LSDHHAIUSA-N 322.453 -0.096 30 20 DBED CNC(=O)c1cccc(C(=O)[C@H](C#N)C(=O)NCCOC)n1 1515100315 PCWGGVKBTZKANA-VIFPVBQESA-N 304.306 -0.474 30 20 DBED N#C[C@H](C(=O)[C@H]1CCCCO1)C(=O)N1CCS(=O)(=O)CC1 1523861932 KULZAGNRAHCKMJ-GHMZBOCLSA-N 314.363 -0.479 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)CC1 1535883527 AIQDBTWZIHHFPX-ZDEQEGDKSA-N 321.377 -0.037 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)[C@H]2C[C@H]2C(=O)O)CC1 1573310813 CWWQASWEIQLSMX-QWHCGFSZSA-N 321.377 -0.715 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](C)N(C)c1ccnc(-c2nn[nH]n2)n1 1573575699 ALNDRIZZGKPFIQ-RKDXNWHRSA-N 315.341 -0.243 30 20 DBED N#C[C@@]1(F)CCN(C(=O)C2(C(=O)O)CCS(=O)(=O)CC2)C1 1574480620 NPUVVINZRMUCDB-NSHDSACASA-N 318.326 -0.270 30 20 DBED C#CC[C@H](COC)NC(=O)C(=O)N1CC[C@H](C(=O)O)[C@H](C)C1 1588389610 XSBQBVKBYWJWMF-UTUOFQBUSA-N 310.350 -0.290 30 20 DBED C#CC[C@H](NC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)C(=O)O 1588399109 QJWAGYCAPSQLEQ-JTQLQIEISA-N 323.330 -0.923 30 20 DBED C#CCOCCNC(=O)N1CC[C@@H](n2cc(C(=O)O)nn2)C1 1588491747 UOTYHINKAGAUNJ-SNVBAGLBSA-N 307.310 -0.418 30 20 DBED C=CCOCC(=O)NCCNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 1588675326 CPWWIGIYFWCJQE-UHFFFAOYSA-N 319.325 -0.757 30 20 DBED C#CCC[C@H](O)CNS(=O)(=O)c1ccc(-c2nn[nH]n2)nc1 1602702025 BQWRHYUZWRRWQX-VIFPVBQESA-N 322.350 -0.686 30 20 DBED N#Cc1ccc(C(=O)N2CCN(C(=O)C(=O)O)CC2)cc1O 1605597650 ZFDRZZFHXVIDEB-UHFFFAOYSA-N 303.274 -0.367 30 20 DBED CO[C@]1(C(=O)O)CCN(C(=O)C(=O)N(C)CC(C)(C)C#N)C1 1606690640 AMBTVVSANCOZEP-CQSZACIVSA-N 311.338 -0.303 30 20 DBED CC#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@H](NC(C)=O)C(N)=O 1752564651 HBWZNNQGZBMUBT-MJBXVCDLSA-N 320.393 -0.935 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@H](NCCOCCOC)C1 1752576447 HDSAJFSBMSBUIY-HOTGVXAUSA-N 323.437 -0.063 30 20 DBED CN(CCNCC(=O)NCC#N)C(=O)c1nn(C)cc1Cl 1753192268 DWXCIVLCKHKWLH-UHFFFAOYSA-N 312.761 -0.625 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC(NC(=O)c2ccncc2F)C1 1753373677 COJFIVXLEOKRMP-SNVBAGLBSA-N 304.325 -0.227 30 20 DBED C=CCCOCC(=O)N1C[C@@H]2C[C@H]1CN2[C@H]1CCC(=O)NC1=O 1753427345 GPNDUAHEUYWKNX-AVGNSLFASA-N 321.377 -0.331 30 20 DBED C#CCNC(=O)CN[C@H]1CC[C@H](NC(=O)[C@@H](C)NC(C)=O)CC1 1753579789 MVJMPOHOZIRNBT-MRVWCRGKSA-N 322.409 -0.723 30 20 DBED C=CC(C)(C)C(=O)NC[C@H](O)CNCc1nc(N(C)C)no1 1753923104 CLUFYOXXPHNGEW-SNVBAGLBSA-N 311.386 -0.086 30 20 DBED Cc1nn(C)cc1C(=O)N[C@@H](C)CCNCC(=O)NCC#N 1753952079 PNBAXANJRMHAJC-JTQLQIEISA-N 306.370 -0.534 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@@H](C)NC(=O)c1ncccc1O 1754222581 DOMJMGHHIRDVGC-MNOVXSKESA-N 304.350 -0.367 30 20 DBED C=C(C)CN1C[C@H]2C[C@H]1[C@H]2NC(=O)CS(=O)(=O)CCOC 1754424661 AWFXVBSQBPDQQG-DYEKYZERSA-N 316.423 -0.187 30 20 DBED CC(C)C#CC(=O)N[C@H](CNCc1nc(=O)n(C)[nH]1)C1CC1 1754438655 CVLHUMRNKPSKLX-GFCCVEGCSA-N 305.382 -0.248 30 20 DBED C#CCNC(=O)CN1CCC(C)(NC(=O)c2cnn(C)c2)CC1 1754624331 KETWHSWQZDXGSU-UHFFFAOYSA-N 317.393 -0.246 30 20 DBED C=CCCN1CC(O)(CNC(=O)[C@@H]2CCc3nnn(C)c3C2)C1 1754772725 PTLKPSNUTPOIOD-GFCCVEGCSA-N 319.409 -0.341 30 20 DBED C/C(=C/C(=O)N1CCO[C@@H](CNCC(=O)NCC#N)C1)C1CC1 1754993876 CHEWZIGSGUOVPE-UNJUUPHPSA-N 320.393 -0.201 30 20 DBED C=CCCC(=O)N1CCO[C@@H](CNCCNS(C)(=O)=O)C1 1754997699 XPNJOOKTECBZPS-LBPRGKRZSA-N 319.427 -0.681 30 20 DBED COCC#CCN1CC2(C[C@H](NC(=O)CC3(O)CCC3)CO2)C1 1755062323 XMADCQYIIQPLOM-AWEZNQCLSA-N 322.405 -0.099 30 20 DBED CC#CCN[C@]1(CO)CCCN(C(=O)CCc2cn(C)nn2)C1 1755092250 IAGXUWUMDAAQPC-MRXNPFEDSA-N 319.409 -0.286 30 20 DBED COCC#CCNCC(C)(C)CN(C)C(=O)c1nnn(C)n1 1755284347 OXEYDWMQMILTNG-UHFFFAOYSA-N 308.386 -0.452 30 20 DBED CCNC(=O)NC(=O)CN[C@@H](C)CN(C)C(=O)C#CC1CC1 1755586134 HHGLHNQVMGEEGA-NSHDSACASA-N 308.382 -0.318 30 20 DBED C#CCCN[C@@H]1C[C@@H](C)N(C(=O)CNS(=O)(=O)CC)C1 1755676918 SPLAEWCFCJWFTB-VXGBXAGGSA-N 301.412 -0.472 30 20 DBED CC(=O)N(C)CC(=O)N1C[C@H]2[C@H](CNC(=O)C#CC3CC3)[C@H]2C1 1756198254 PFPAPKLOZNOLTI-QKDCVEJESA-N 317.389 -0.301 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H](CO)CNC(=O)c1cncs1 1756505737 JGXMYZLUXDDANV-UWVGGRQHSA-N 311.363 -0.612 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@H](CO)NC(=O)Cc1[nH]cnc1C 1756516226 YAXSWLNDSQLVLK-NHYWBVRUSA-N 324.381 -0.819 30 20 DBED CC(C)C#CC(=O)N[C@@H](CO)CNC(=O)CCCCN(C)C 1756537257 APHOAYGXPRSBNM-CQSZACIVSA-N 311.426 -0.029 30 20 DBED C#CCOCCC(=O)N1C[C@H](O)[C@H](NC(=O)C2CC=CC2)C1 1757163979 RLPCKASVOFMUJJ-KGLIPLIRSA-N 306.362 -0.320 30 20 DBED CN(C[C@H]1CCN1C(=O)c1cnn[nH]1)C(=O)CSCC#N 1757273938 PONLKLOHPHBQLI-SECBINFHSA-N 308.367 -0.266 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@H](CCC#N)C(=O)O 1777210139 WIFPHDYSYLIBCO-SNVBAGLBSA-N 318.355 -0.560 30 20 DBED C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)n3cccn3)C2)C1 1784527439 XYIIQTCUMLTVQK-CZUORRHYSA-N 316.361 -0.093 30 20 DBED C[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc[nH]n1)C2 1800981655 YKFFNCDRAYGXRL-MWGHHZFTSA-N 324.406 -0.069 30 20 DBED C#CC(=O)N1CCCC12CN(C(=O)c1cc(O)nc(O)n1)C2 1845958958 RJYNWJPUTLJSDU-UHFFFAOYSA-N 302.290 -0.662 30 20 DBED N#Cc1ccc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)O)cc1 21812548 FDYBEUKZQWERQI-JTQLQIEISA-N 311.319 -0.445 30 20 DBED C=CCN(CC(=O)O)C(=O)[C@H]1CCCN(S(C)(=O)=O)C1 92462837 GOXQJGZJHYQYND-JTQLQIEISA-N 304.368 -0.243 30 20 DBED N#C[C@@H]1COCCN1S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 173583019 GCHGLBDVQQJUCN-MRVPVSSYSA-N 308.319 -0.231 30 20 DBED C#CCNC(=O)[C@@H](C)Sc1n[nH]c(=O)n1C[C@@H]1CCCO1 253489294 DTHRYYLGFWTJEC-ZJUUUORDSA-N 310.379 -0.020 30 20 DBED C/N=C(/NC[C@@H]1CCOC1)N[C@@H]1CCc2nc(COC)nn2C1 261958267 JJXPJJLEYIGITM-NWDGAFQWSA-N 322.413 -0.059 30 20 DBED C[C@H](O)CN1CCN(S(=O)(=O)c2cccnc2C#N)CC1 276945979 BHGCRVLHMPJPKH-NSHDSACASA-N 310.379 -0.360 30 20 DBED CN(C)[C@H]1CCCN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC1 277176170 NDJBUAGQNTYRBC-NSHDSACASA-N 305.382 -0.124 30 20 DBED C#CCN(C)C(=O)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C 283642615 PBQDNKIOEJCQRT-UHFFFAOYSA-N 300.318 -0.093 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N(C)CC(=O)N1CCOCC1 298166010 MASNOEVDCIVHGQ-NSHDSACASA-N 312.370 -0.823 30 20 DBED CS(=O)(=O)N1CCC[C@@H]1C/N=C(/O)CN1CSCC1=O 328787420 JPIOXQURIKHSPE-SECBINFHSA-N 321.424 -0.100 30 20 DBED Cn1cnn(C/C(O)=N/[C@H]2CCN(CC(F)(F)F)C2=O)c1=O 329088784 IDIMXOUOWMAJGQ-ZETCQYMHSA-N 321.259 -0.299 30 20 DBED C[C@H](/C(O)=N/CCNC(=O)c1cc[nH]n1)N1CCN(C)CC1 329346248 RHLGXXYJKOFYQE-LLVKDONJSA-N 308.386 -0.268 30 20 DBED CN1CCN(C)[C@H](CN/C(O)=N/CCN2CCSCC2)C1 329470472 YVQGHEYUWFMIPA-CYBMUJFWSA-N 315.487 -0.215 30 20 DBED C/C(O)=N/[C@@H]1CCCN(C(=O)CN2CCN3C(O)=NC[C@@H]3C2)C1 330020588 WRMVEDRVAPARSO-CHWSQXEVSA-N 323.397 -0.132 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H]1CC(=O)N(C)C1=O 330672977 DTAODXWJTYSIHP-BDAKNGLRSA-N 302.356 -0.940 30 20 DBED N#C[C@H]1CN(S(=O)(=O)NCCc2nccs2)CCO1 336924367 TYSNMZYEQPIGEM-VIFPVBQESA-N 302.381 -0.256 30 20 DBED C=CCNC(=O)CNC(=O)CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O 345652789 CIJPCWIVYTYQTP-QWRGUYRKSA-N 305.334 -0.644 30 20 DBED CCN(CC(=O)NC(C)C)C(=O)Cn1cncc(C#N)c1=O 351788516 ACCUQZOQBSTKQU-UHFFFAOYSA-N 305.338 -0.512 30 20 DBED C=C[C@@H](CO)NC(=O)c1cnc2c(c1C)c(=O)n(C)c(=O)n2C 356857814 HGBSLYCEDXTWJO-VIFPVBQESA-N 318.333 -0.783 30 20 DBED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C(=O)O)CC1 360402565 WOROEYCQKMALDN-UHFFFAOYSA-N 323.330 -0.524 30 20 DBED C=CCOC[C@H](NS(=O)(=O)C[C@@H]1CCOC1)C(=O)OC 360618282 HYICFJXQXOALMQ-MNOVXSKESA-N 307.368 -0.314 30 20 DBED COCCN1C[C@@H](C(=O)NCC2CCN(CC#N)CC2)CC1=O 362532676 YDYAJOHWMALHQS-AWEZNQCLSA-N 322.409 -0.167 30 20 DBED C=CCN1CC(=O)N([C@H]2CCN(c3cnn(C)c3)C2=O)C1=O 372920584 QERUORBFAQXOQU-NSHDSACASA-N 303.322 -0.024 30 20 DBED COCCN(CCO)C(=O)C(=O)Nc1nn(C(C)C)cc1C#N 439347258 ORALCMUXQUBRLC-UHFFFAOYSA-N 323.353 -0.259 30 20 DBED N#Cc1cc(F)ccc1NC(=O)C(=O)N1C[C@H](O)C[C@@H]1CO 442261716 PKPJIYXUVJTZEH-GHMZBOCLSA-N 307.281 -0.410 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CO[C@@H](C)C2)CC1 490713781 MFOWRSDUTLIVHL-KBPBESRZSA-N 307.394 -0.305 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@@H](C)n2cncn2)CC1 490892070 JOIYOEHPEOQYNZ-CYBMUJFWSA-N 318.381 -0.877 30 20 DBED C#CCN(C)C(=O)C(=O)Nc1cc(-n2cnnn2)ccc1F 491068191 NBNWQJNQWQMAKO-UHFFFAOYSA-N 302.269 -0.169 30 20 DBED C#CCNS(=O)(=O)CCCS(=O)(=O)Nc1cn[nH]c1 491668163 SJFDLJFJIKCNCB-UHFFFAOYSA-N 306.369 -0.906 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2cnn(C)c2Cl)CC1 491693810 JRYDHFCLEDRAMD-UHFFFAOYSA-N 323.784 -0.419 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCCN2CC[C@@H](C)C2)C1=O 525291875 RAGDZSOHKRCPDF-LLVKDONJSA-N 322.365 -0.579 30 20 DBED N#Cc1ccc(CS(=O)(=O)N[C@@]2(C(N)=O)CCOC2)cc1 567752388 ILJSOJYJHGUJGP-ZDUSSCGKSA-N 309.347 -0.378 30 20 DBED COC(=O)CN(CC#N)C(=O)[C@@H](C)n1cnc2c(N)ncnc21 597272251 AMJVVSROWOSZBP-MRVPVSSYSA-N 317.309 -0.505 30 20 DBED C=CCC[C@H](NC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)C(=O)OCC 597733080 PUNMGXLNTZNMIZ-UMSGYPCISA-N 313.350 -0.587 30 20 DBED Cn1c(N2CCO[C@@H](C(F)F)CC2)c(C#N)c(=O)n(C)c1=O 601231355 JODZUHFQJPTJRO-SECBINFHSA-N 314.292 -0.184 30 20 DBED CC(C)[C@@H](C#N)N1CCN(C(=O)c2nccnc2C(N)=O)CC1 610425227 PRULSQITFGMAGC-LLVKDONJSA-N 316.365 -0.119 30 20 DBED C=C[C@H](O)C(=O)N1CCOC[C@H]1c1noc(-c2cnn(C)c2)n1 613368276 UZEYKFVZGMMPEK-QWRGUYRKSA-N 319.321 -0.083 30 20 DBED N#CCc1cccc(S(=O)(=O)NCCN2C(=O)CNC2=O)c1 619483877 XEDMLCFJXZGLIV-UHFFFAOYSA-N 322.346 -0.417 30 20 DBED N#Cc1nc(N)n(CC(=O)NCC2CCC2)c1-c1nn[nH]n1 737728181 JCCNPFYQFWMPNI-UHFFFAOYSA-N 301.314 -0.567 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C)C(=O)OCC)C1=O 748565019 OOGYISCCENBFDN-QMMMGPOBSA-N 311.294 -0.969 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)C2(CC)COC2)CC1 755327841 XWWHJBCCAWAIDS-UHFFFAOYSA-N 307.394 -0.303 30 20 DBED COC[C@@H](NS(=O)(=O)c1cccc(Cl)c1C#N)C(N)=O 758479302 CKIZYPUAEGGJPX-SECBINFHSA-N 317.754 -0.010 30 20 DBED C=CCCS(=O)(=O)NC1CCN(CCS(C)(=O)=O)CC1 765190654 JIHZPTMIZUGUJI-UHFFFAOYSA-N 324.468 -0.009 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1cnc(C)nc1N 767407789 PLJFINKGFWTJQD-SSDOTTSWSA-N 307.310 -0.076 30 20 DBED CCOC(=O)CON=C(C(=O)NCC[C@H](C)O)c1cc[nH]n1 772654951 DHDICYAVQDJHAC-VIFPVBQESA-N 312.326 -0.419 30 20 DBED C#C[C@H](NC(=O)NCCCN1C(=O)CNC1=O)[C@@H]1CCCO1 773295018 YXPGOGRDLJAFJA-QWRGUYRKSA-N 308.338 -0.592 30 20 DBED N#Cc1ccc(C(=O)NC2CCN(CC(N)=O)CC2)cc1O 785402854 AKEVJEDJOJLYEA-UHFFFAOYSA-N 302.334 -0.057 30 20 DBED C#CCn1cc(CNC(=O)[C@@H](NC(=O)COC)C(C)C)cn1 788211196 CCYOIRWMTUGYPO-AWEZNQCLSA-N 306.366 -0.080 30 20 DBED N#CCc1cccc(S(=O)(=O)NC[C@@H]2CC(C(N)=O)=NO2)c1 795176016 QFALPBKOTBRBSE-JTQLQIEISA-N 322.346 -0.339 30 20 DBED N#C[C@@H]1COCCN1C(=O)c1cc(S(N)(=O)=O)ccc1F 798328950 DVMOPEPFAKSYDJ-MRVPVSSYSA-N 313.310 -0.162 30 20 DBED C#CCC[C@@H](O)CNS(=O)(=O)N1CCC[C@H]1C(=O)OCC 798486599 SMBHVONDEGUNIG-NEPJUHHUSA-N 318.395 -0.377 30 20 DBED N#CCCCCNC(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 804057241 VXIQSNPBQTWSJE-OLZOCXBDSA-N 308.382 -0.224 30 20 DBED CN(CCOC(=O)CCCC#N)S(=O)(=O)N1CCOCC1 813066784 HTPOHVIYQAUNAO-UHFFFAOYSA-N 319.383 -0.268 30 20 DBED C=C[C@@H](O)C(=O)OCC(=O)N1CCN(C(=O)c2ccco2)CC1 814548293 ABUYMYKWUBWKSU-LLVKDONJSA-N 322.317 -0.346 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)c1cc(-c2nn[nH]n2)cn1C 819701482 JAYKOUGIVLXCMM-QMMMGPOBSA-N 302.294 -0.500 30 20 DBED C#CCCN1CCN(C(=O)[C@H](CCC)S(N)(=O)=O)CC1 825078041 RBLWYEXRJMUXRB-LBPRGKRZSA-N 301.412 -0.389 30 20 DBED C#CCN1CCN(C(=O)c2ccnc(S(N)(=O)=O)c2)CC1 825287080 OUJFAYOPGDCROD-UHFFFAOYSA-N 308.363 -0.880 30 20 DBED CCCNC(=O)NC(=O)Cn1cnc(C#N)c1-c1nn[nH]n1 825332746 LJDUSSDGRSTYGC-UHFFFAOYSA-N 303.286 -0.829 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2cn(CC)cn2)CC1 825967788 KZWSZMDYGKXDKW-UHFFFAOYSA-N 303.366 -0.590 30 20 DBED C=CC[C@H](CO)CNC(=O)C(F)(F)C(=O)N1CCOCC1 836203704 CURDNIVXLXVXFS-JTQLQIEISA-N 306.309 -0.219 30 20 DBED CON(C)C(=O)[C@@H](C)NC(=O)C(=O)Nc1cc(C)c(C#N)cn1 862174685 JACMEMRFAJKSJW-SECBINFHSA-N 319.321 -0.275 30 20 DBED C#CCNC(=O)C1CCN(C(=O)N[C@H]2C[C@H](C)OC2=O)CC1 896336187 LRVUMUXEEJAUNA-JQWIXIFHSA-N 307.350 -0.139 30 20 DBED CN(C)CC#CCNC(=O)Cc1ccc(S(N)(=O)=O)cc1 913518478 QSTYPERDAVRZIT-UHFFFAOYSA-N 309.391 -0.442 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCN(C(=O)[C@@H]3CCOC3)C2)nn1 937969990 OPHQFEXNNXZAAC-NEPJUHHUSA-N 319.365 -0.169 30 20 DBED C=CCN1CC[C@H](NC(=O)CN2CC(=O)N(C)C2=O)[C@H](C)C1 944136318 SJOCRUVOKZDWGA-NEPJUHHUSA-N 308.382 -0.107 30 20 DBED Cc1nn(CC(=O)N[C@H]2CCN(CC#N)C[C@H]2C)c(=O)n1C 944491563 LTPVIZSIIIIGOD-PWSUYJOCSA-N 306.370 -0.760 30 20 DBED CCN1CC[C@@H](NCC2(O)CCN(C(=O)[C@H](C)C#N)CC2)C1=O 946918736 QFJBLLGCUYIESG-CHWSQXEVSA-N 322.409 -0.290 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)[C@@H]1CC[C@H]1C(N)=O)CCO2 949153678 FOPFJMFRQHNDPK-ZIAGYGMSSA-N 319.405 -0.176 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCC1CCN(C(=O)C(N)=O)CC1 949380069 HSSNARDTMNPNJK-NEPJUHHUSA-N 309.366 -0.582 30 20 DBED C#Cc1ccc(C(=O)N[C@]2(C)CCN(C(=O)C(N)=O)C2)cn1 957252279 WZNIEYJICCKDIX-OAHLLOKOSA-N 300.318 -0.731 30 20 DBED C=CCN1C[C@H](O)[C@H](CNC(=O)c2ccc3nnnn3c2)C1 958257691 IVULPKCSDYCOMD-NEPJUHHUSA-N 302.338 -0.667 30 20 DBED CC[C@H](C(N)=O)N1C[C@@H]2C(NC(=O)c3ccc(C#N)[nH]3)[C@H]2C1 958590066 KJNNJTUCRLISAU-JBLDHEPKSA-N 301.350 -0.190 30 20 DBED N#CCN1C[C@@H]2C(NC(=O)[C@@H]3OCCO[C@@H]3C(F)(F)F)[C@H]2C1 960554012 DKQDPQSYVLDJOA-HLFFCZDVSA-N 319.283 -0.097 30 20 DBED C#CCN1CCC(C(=O)N2C[C@H](O)[C@H](NC(=O)C(C)C)C2)CC1 961615285 ADGYFVJWMJTYRT-CABCVRRESA-N 321.421 -0.325 30 20 DBED N#Cc1c[nH]c(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@H]3CC3(F)F)C2)c1 962751991 WBYYQOHOLSABGH-IEBDPFPHSA-N 324.287 -0.157 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(C[C@@H](NC(=O)Cc3cnoc3)CO2)C1 965791614 XQRQFHOXSWCQRX-CMPLNLGQSA-N 318.333 -0.137 30 20 DBED C=CCN1CC[C@@H](N[C@@H]2CCN(C(=O)Cn3nccn3)C2)C1=O 968801994 BOYHXHCOLKXTOF-CHWSQXEVSA-N 318.381 -0.745 30 20 DBED CCCN1C[C@@H](C(=O)NC2CN(C(=O)C#CC3CC3)C2)CC1=O 991578297 ACIZVFNDWGRLQH-ZDUSSCGKSA-N 317.389 -0.015 30 20 DBED C[C@H]1[C@@H](NC(=O)c2cnc(O)n(C)c2=O)CCCN1CC#N 993682087 HVSSDWRCFWTRPO-ONGXEEELSA-N 305.338 -0.408 30 20 DBED C=C(C)CN[C@@H]1CN(C(=O)[C@@H]2CC(=O)NC(=O)N2)CC1(C)C 996360122 GUUAHHAORNRXPI-WDEREUQCSA-N 308.382 -0.013 30 20 DBED C#CCN[C@H]1CN(C(=O)[C@H]2CN(C(C)=O)CCO2)CC1(C)C 996574490 NFNGKPYWTFIAQG-KGLIPLIRSA-N 307.394 -0.307 30 20 DBED N#Cc1c[nH]c(C(=O)NCC2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c1 1001342564 QFGGSOSKCKDAEG-ZYHUDNBSSA-N 317.305 -0.260 30 20 DBED N#CCN1CCC(CNC(=O)[C@H]2CCc3nnc(O)n3C2)CC1 1001554566 SQVWTQXXIVTNFG-LBPRGKRZSA-N 318.381 -0.102 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NCC1CN(C(=O)c2nc[nH]n2)C1 1002219610 RMPSTVUBQCOUSH-NEPJUHHUSA-N 319.365 -0.026 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C(=O)[C@H]2CCCS2(=O)=O)CC1 1011216435 WFMIICOZEYHCNI-WDEREUQCSA-N 313.379 -0.606 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C(=O)c2cc(C(N)=O)cn2C)CC1 1011737521 FWKPODZOZZKCRS-JTQLQIEISA-N 317.349 -0.432 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)C1 1016340807 FCGCVMBKJZNTTQ-GFCCVEGCSA-N 318.381 -0.806 30 20 DBED Cc1[nH]nc(C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2O)c1C 1023235422 PEQRIAMKTJGWFG-CHWSQXEVSA-N 316.361 -0.259 30 20 DBED N#Cc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC34CC4)C2)c[nH]1 1025788753 STUXSFODTSSXMU-YNEHKIRRSA-N 314.345 -0.012 30 20 DBED N#CCN1CC[C@@H](CNC(=O)c2cnc3c(c2)NC(=O)CO3)C1 1028664624 PEVNJGCEMWXHPU-JTQLQIEISA-N 315.333 -0.012 30 20 DBED C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)CC[C@H]1NC(=O)NC1=O 1032770010 FTQUZZVQIHCPQI-SDDRHHMPSA-N 306.366 -0.164 30 20 DBED C=C(Cl)CN1CC[C@H](N(C)C(=O)Cn2c(O)nnc2O)C1 1033617787 ZJHMJUKHFARTOJ-VIFPVBQESA-N 315.761 -0.026 30 20 DBED CC#CCN1CCO[C@@H](CNC(=O)[C@H]2CCCCC(=O)N2)C1 1035513156 SKUZJCYJOSMORF-UONOGXRCSA-N 307.394 -0.115 30 20 DBED N#CCN1CCO[C@@H](CNC(=O)c2cn([C@H]3CCOC3)nn2)C1 1035569856 AGWHCBDHVQYNQI-RYUDHWBXSA-N 320.353 -0.806 30 20 DBED C#CCCCC(=O)NC[C@@]1(O)CCN(C(=O)Cn2nccn2)C1 1039573105 FRFBVOOLHKYPSY-HNNXBMFYSA-N 319.365 -0.839 30 20 DBED O=C(NC[C@@]1(O)CCN(C(=O)C#CC2CC2)C1)c1ncc[nH]1 1039660033 NPPOIPHAPGBGNB-HNNXBMFYSA-N 302.334 -0.484 30 20 DBED C#CCN1[C@H]2CCC[C@H]1CN(C(=O)c1cn(CC(N)=O)nn1)C2 1040015189 ZQVNLEQETHIONM-RYUDHWBXSA-N 316.365 -0.925 30 20 DBED C=CCOCC(=O)N1CC[C@](O)(CNC(=O)[C@H]2CCOC2)C1 1040049422 LUCOJHSCSVMCIR-WFASDCNBSA-N 312.366 -0.695 30 20 DBED Cc1cc(C(=O)N[C@@H]2CN(c3cnc(C#N)cn3)C[C@H]2O)n[nH]1 1040949178 GBKYTQZUDGTDDK-VXGBXAGGSA-N 313.321 -0.641 30 20 DBED Cn1cc(C(=O)N[C@@H]2CN(c3ccc(C#N)cn3)C[C@H]2O)nn1 1041012136 NMLQQGKHWPNWBW-ZYHUDNBSSA-N 313.321 -0.939 30 20 DBED C#CCCN1CC[C@]2(CCN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)C1 1041368905 SHIJXQCCMGUZTC-LRDDRELGSA-N 318.377 -0.468 30 20 DBED C[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1NC(=O)c1nnn(C)n1 1042422877 OHGKIJQZAOJGJI-PSASIEDQSA-N 313.325 -0.874 30 20 DBED CC(C)(C)C#CC(=O)NCC1(O)CN(C(=O)c2ncccn2)C1 1042965693 GQLKPOVZASDQEJ-UHFFFAOYSA-N 316.361 -0.171 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](Nc2ccc3nnnn3n2)[C@H](C)C1 1043099734 YLBUPKRYMGDHBS-OPRDCNLKSA-N 300.326 -0.062 30 20 DBED O=C(NCC1(O)CN(C(=O)C#CC2CC2)C1)c1ccns1 1043322666 CGLFDHPEKXSNQH-UHFFFAOYSA-N 305.359 -0.140 30 20 DBED N#Cc1nccnc1N1C[C@H](O)[C@H](NC(=O)c2cnns2)C1 1043862444 BATWMINHPTXLKN-BDAKNGLRSA-N 317.334 -0.821 30 20 DBED Cc1cnc(C(=O)N2CC(O)(CNC(=O)[C@@H](C)C#N)C2)cn1 1045541603 ZDSQPMORTADBNY-VIFPVBQESA-N 303.322 -0.752 30 20 DBED Cc1ccn(CC(=O)N2CC(O)(CNC(=O)[C@@H](C)C#N)C2)n1 1045554336 CLYYRVNGNZWYOC-JTQLQIEISA-N 305.338 -0.959 30 20 DBED CC#CCN1[C@H]2CC[C@H]1CN(C(=O)CN1CCOCC1=O)CC2 1045795824 CZNGAYQHJVZMMZ-GJZGRUSLSA-N 319.405 -0.066 30 20 DBED C=CCCN1CC[C@@H](N2CCN(C(=O)c3nnn(C)n3)CC2)C1 1046053426 BCZOXPPQOHFFBI-CYBMUJFWSA-N 319.413 -0.382 30 20 DBED C#Cc1cncc(C(=O)N(C)[C@H]2CN(CCOC)C[C@@H]2O)c1 1047520825 CYZZSJOLKJVIHB-GJZGRUSLSA-N 303.362 -0.174 30 20 DBED C[C@@H](NC(=O)Cn1cnnn1)[C@H]1CCN(C(=O)C#CC2CC2)C1 1050667102 VYKHPDPBAUGKSB-YPMHNXCESA-N 316.365 -0.560 30 20 DBED Cn1nnc2c1C[C@@H](C(=O)NC[C@H]1COCCN1CC#N)CC2 1051089003 ZQZAUEFTYRJANX-RYUDHWBXSA-N 318.381 -0.739 30 20 DBED C=CCCN1CCN([C@@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)C2)CC1 1052072757 BVWSLQFHHDYXLQ-KGLIPLIRSA-N 321.425 -0.538 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)[C@@H](C)n1cncn1)CCO2 1053227218 SZNVJBBDGKONQF-CYBMUJFWSA-N 303.366 -0.224 30 20 DBED C[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1CCN=c1cc[nH]c(C#N)n1 1053325148 MWSFXVKGIDZVCL-GHMZBOCLSA-N 316.365 -0.458 30 20 DBED Cn1cccc(C(=O)N2CCOC3(CN(CC#N)C3)C2)c1=O 1053512235 MWGKZMUPCFFJGT-UHFFFAOYSA-N 302.334 -0.564 30 20 DBED N#CCN1CC2(CC[C@@H](CNC(=O)[C@@H]3CCCN3C(N)=O)O2)C1 1053704865 QKLWKMDNTNYFDC-RYUDHWBXSA-N 321.381 -0.597 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)Cc3cnn(C)c3)CO2)C1 1053753507 RTUBUPLEFHJZSX-AWEZNQCLSA-N 302.378 -0.055 30 20 DBED C#CCN1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CNC(=O)N1 1054051978 LUJIADIVJZZVKC-CABCVRRESA-N 312.373 -0.156 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@](CO)(NC(=O)c2ccnn2C)C1 1055817206 IQYVTLSLEVEJJA-XHDPSFHLSA-N 319.365 -0.337 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@](CO)(NC(=O)CC2(O)CCC2)C1 1055934997 LFFNOPSVMOLPOJ-SWLSCSKDSA-N 323.393 -0.079 30 20 DBED C=C[C@@H](CC)CC(=O)N[C@@]1(CO)CCCN(C(=O)C(N)=O)C1 1056066047 SZOKUWJJULFLMT-NHYWBVRUSA-N 311.382 -0.456 30 20 DBED C[C@@H](C#N)C(=O)N[C@]1(CO)CCCN(C(=O)Cn2ccnc2)C1 1056096520 IPRUPXUESTWNDE-SWLSCSKDSA-N 319.365 -0.488 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)C(N)=O 1056379648 KYLHBWKQCYVASG-HFAKWTLXSA-N 309.366 -0.609 30 20 DBED CN(c1nccnc1C#N)[C@H]1CCN(C(=O)Cn2cnnn2)C1 1056850151 UOXLQPBODSHLQY-JTQLQIEISA-N 313.325 -0.928 30 20 DBED N#CCSCC(=O)NCCN(CCO)C(=O)[C@@H]1CCCO1 1056892798 JQIOUQMKIZDNKE-NSHDSACASA-N 315.395 -0.641 30 20 DBED CN(c1ccc(C#N)nn1)[C@H]1CCN(C(=O)Cn2cncn2)C1 1056919767 HCIDQSPNUQJHBT-LBPRGKRZSA-N 312.337 -0.323 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)c1ccnc(F)c1 1057149202 TWKVMVYDPDJNDF-JTQLQIEISA-N 308.313 -0.069 30 20 DBED C#CCOCCC(=O)NCCN(CCO)C(=O)c1ccnn1C 1057152689 OBHRELLHGVNDAM-UHFFFAOYSA-N 322.365 -0.989 30 20 DBED Cc1cc(C(=O)N(CCO)CCNC(=O)C#CC2CC2)ncn1 1057360724 LXZKWLRPQYQVOK-UHFFFAOYSA-N 316.361 -0.251 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)c1cncn1C 1057446808 JUSBOAZABZQZKY-UHFFFAOYSA-N 306.366 -0.226 30 20 DBED C#CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)CC(C)(C)O 1057583696 XTYUTKOJXIVXQW-LBPRGKRZSA-N 314.382 -0.877 30 20 DBED N#Cc1ccc(N2CCC(NC(=O)Cn3ncnn3)CC2)cn1 1057902949 KBBUIHLENFOGPJ-UHFFFAOYSA-N 312.337 -0.275 30 20 DBED C[C@H](N=c1cc[nH]c(C#N)n1)[C@H]1CCCCN1C(=O)CC(N)=O 1058004189 GXHJUPZAKJKQEV-WDEREUQCSA-N 316.365 -0.173 30 20 DBED Cc1cc(C#N)nc(N2CC[C@H](NC(=O)[C@H]3COCCO3)C2)n1 1058304853 KXKUBPWBCBCRGW-WCQYABFASA-N 317.349 -0.233 30 20 DBED C#CCO[C@H](C)C(=O)NCC[C@H]1CCN(C(=O)CNC(N)=O)C1 1059121107 MGZUDNMEEPPEKQ-NEPJUHHUSA-N 324.381 -0.952 30 20 DBED CN1CCOC[C@@H]1C(=O)N[C@H]1C[C@H](Nc2cnc(C#N)cn2)C1 1059187029 RWWNHHFRHKMBFR-NQBHXWOUSA-N 316.365 -0.262 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC2(CCN(C(=O)CC(N)=O)CC2)C1 1061035306 JFWWQMNCZQBTAD-LBPRGKRZSA-N 323.393 -0.096 30 20 DBED CC#CCCCC(=O)NC[C@@H]1COCCN1C(=O)CNC(C)=O 1061784418 HHBNMMIZEGGUIN-CQSZACIVSA-N 323.393 -0.340 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H]1CN(C(=O)c2cnon2)CCO1 1065509849 JKYSGOLWKOLVTR-QWRGUYRKSA-N 322.321 -0.935 30 20 DBED C[C@@H](N=c1cc[nH]c(C#N)n1)[C@@H]1CCN(C(=O)c2nc[nH]n2)C1 1065730208 ZSIUIKDAGQBFAC-NXEZZACHSA-N 312.337 -0.149 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@@H](NC(=O)[C@H](C)C#N)CC1 1066476115 VQTVKWXTNQOUKI-CHWSQXEVSA-N 318.377 -0.217 30 20 DBED N#Cc1ccc(N2CCOC[C@H]2CNC(=O)c2cnn[nH]2)nn1 1066531319 QVBAYJOFYQVGFD-SNVBAGLBSA-N 314.309 -0.898 30 20 DBED C[C@@H]1CN(C(=O)Cn2nccn2)C[C@@H]1Nc1ccc(C#N)nn1 1067152930 FUSJMYOQASGVCJ-PWSUYJOCSA-N 312.337 -0.101 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(C[C@H](NC(=O)CSCC#N)CO2)C1 1068710689 ITSHTGULABOHTM-QWRGUYRKSA-N 322.390 -0.111 30 20 DBED C=CCO[C@H](C)C(=O)N1CC[C@]2(CCCN(C(=O)C(N)=O)C2)C1 1069775965 HFNZSXVUCIMZCF-WBMJQRKESA-N 323.393 -0.096 30 20 DBED Cn1cnc([C@@H]2CN(C(=O)c3csnn3)C[C@H]2NCC#N)c1 1070518439 ZPNUKJLEJVYTFX-GXSJLCMTSA-N 317.378 -0.007 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCCN(C(=O)[C@@H](C)COC)C1 1070546440 YUBRTNQYMXNDPV-QWHCGFSZSA-N 323.393 -0.484 30 20 DBED N#CCN1C[C@H]2C[C@H]3CN(C(=O)C[C@@H]4CCC(=O)N4)C[C@@]3(C1)O2 1070867174 HFGYGYSXLVCMRI-BCUIYNNISA-N 318.377 -0.520 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)c2cncnc2C)CC1 1070940718 SGSYFQZEHURXAM-UHFFFAOYSA-N 315.377 -0.318 30 20 DBED C#CCCN1CCNC(=O)CCN(C(=O)[C@H]2CCCN2C)CC1 1070946044 OTKCJDLPVUOJIR-OAHLLOKOSA-N 320.437 -0.246 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)c2ncoc2C)CC1 1070946220 YJOIOYBJMCSGJU-UHFFFAOYSA-N 304.350 -0.120 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1C 1071558117 VQMSUYOKUCZPSE-VXGBXAGGSA-N 304.354 -0.560 30 20 DBED CC(=O)N(C)CC(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1C 1072047185 AUGANRCANXTBHI-SMDDNHRTSA-N 305.378 -0.159 30 20 DBED C#CCN1CCC2(C1)CN(C(=O)[C@@H]1CCN(C)S1(=O)=O)C2 1073053222 AQFFLHIJPLPGCT-LBPRGKRZSA-N 311.407 -0.812 30 20 DBED CC(=O)N1CC(C(=O)N2CC[C@@H]3OCCN(CC#N)[C@H]3C2)C1 1074225355 DWPFYRRIZFYMOP-KBPBESRZSA-N 306.366 -0.710 30 20 DBED C[C@@H]1C[C@@H](NC(=O)CSCC#N)CCN1C(=O)CC(N)=O 1074840583 KBVOHBIKKFYIED-ZJUUUORDSA-N 312.395 -0.386 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)c1n[nH]cc1C 1076418476 ZPICIPMOKGAIBX-NSHDSACASA-N 319.365 -0.518 30 20 DBED C[C@@H](CCNC(=O)CN(C)S(C)(=O)=O)NC(=O)[C@H](C)C#N 1076887598 JZMAYCLIFAKTCQ-ZJUUUORDSA-N 318.399 -0.952 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCCS2(=O)=O)C1 1077451365 HKCJDDHVDIRXCG-YNEHKIRRSA-N 314.407 -0.862 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN(Cc3cnn(C)n3)C[C@H]2O)C1 1077641832 JUSGXOMXQFQFOM-CHWSQXEVSA-N 305.382 -0.167 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H](C)CCNC(=O)C1(C(N)=O)CC1 1078112803 JIDRUWWEYFOPCC-WDEREUQCSA-N 309.366 -0.699 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CCCN(C(=O)c2nnn(C)n2)CC1 1079058588 GREROGRDRGXCQB-QWRGUYRKSA-N 319.369 -0.177 30 20 DBED CO[C@H]1C[C@H](C(=O)N[C@@H]2CN(CC#N)C[C@H]2C)N(C(C)=O)C1 1080203677 FDKSHAWUDQFIJD-YXCITZCRSA-N 308.382 -0.418 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CN([C@@H](C)C(=O)NC)C[C@H]2C)nn1 1080578957 IFXDOKZLHVXPHC-GRYCIOLGSA-N 320.397 -0.351 30 20 DBED C#CCN1C[C@@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)[C@H](C)C1 1080723596 JBXSNMAGKKRLPQ-GHMZBOCLSA-N 306.366 -0.614 30 20 DBED Cc1n[nH]cc1C(=O)N1CCC(CO)(NC(=O)[C@@H](C)C#N)CC1 1080983225 IBYYGGKBMFDFJW-JTQLQIEISA-N 319.365 -0.039 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@H](CNC(=O)COC(C)C)C1 1081322696 YAKQQHVNRZBZIT-CHWSQXEVSA-N 314.382 -0.451 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)CCN(C)C)C[C@H]1O 1081344422 PVPJLNKOUBWTAV-QWHCGFSZSA-N 313.398 -0.924 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)c2cn[nH]c2)C[C@@H]1O 1081442413 VAWKUINGTSUGGN-STQMWFEESA-N 304.350 -0.238 30 20 DBED C=C(C)CCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2nnn(C)n2)C1 1081655815 KXXWUCNXJDKXGU-WDEREUQCSA-N 322.369 -0.885 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@@H]2CCCCS2(=O)=O)[C@H](OC)C1 1081792813 FYQXCSOZGHSFRN-UPJWGTAASA-N 314.407 -0.598 30 20 DBED C#Cc1ccc(C(=O)N2CCO[C@@H]3CN(CC(N)=O)C[C@@H]32)cn1 1083252909 MLONXFALELJUNW-UONOGXRCSA-N 314.345 -0.927 30 20 DBED CN(C[C@H]1CCN1CC#N)C(=O)[C@@H]1CCc2nnnn2CC1 1085828837 GKKNZMJZLMPKJH-VXGBXAGGSA-N 303.370 -0.318 30 20 DBED C#CCN[C@H]1CCCCCN(C(=O)Cn2nc(C)n(C)c2=O)C1 1088420135 IZDSULCUPORCGX-AWEZNQCLSA-N 319.409 -0.116 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CC[C@@H](C)N(c2ccnc(C#N)n2)C1 1089115691 JYQJFNKFJDQBLN-ZYHUDNBSSA-N 316.365 -0.042 30 20 DBED CCN(c1ccnc(C#N)n1)[C@H](C)CNC(=O)[C@H](C)NC(N)=O 1089631442 LFUJUBHIACQFSU-ZJUUUORDSA-N 319.369 -0.264 30 20 DBED CCN(c1nccnc1C#N)[C@H](C)CNC(=O)Cn1nccn1 1089697282 NKODYVYUZZNYBO-LLVKDONJSA-N 314.353 -0.029 30 20 DBED N#CCN1C[C@H](NC(=O)[C@H]2CCC(=O)N2)CC2(CCOCC2)C1 1089930781 LVCAPSOTQCUKBN-CHWSQXEVSA-N 320.393 -0.224 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H]2CCN(Cc3cnon3)C[C@H]2O)c1 1090181161 WPKKKROWPWSGAK-WCQYABFASA-N 316.321 -0.365 30 20 DBED CO[C@@H](C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1O)C(C)C 1090535620 YXJPJTBTAJTWLM-JTNHKYCSSA-N 319.365 -0.315 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)c2cc(C(N)=O)c[nH]2)[C@@H](O)C1 1090675239 HMPZNLAZDKILIR-YPMHNXCESA-N 306.366 -0.145 30 20 DBED C=CCN1CC[C@@H](NC(=O)c2cnn(CCOC)c2)[C@H](O)C1 1090765149 VIGHLYJORPXBIH-ZIAGYGMSSA-N 308.382 -0.120 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)c3cnn[nH]3)c3nccn32)C1 1092380014 NZWMNQYUWBXEKB-NSHDSACASA-N 311.349 -0.090 30 20 DBED Cc1cc(C#N)nc(NCCNC(=O)c2c[nH]c(C(N)=O)c2)n1 1093644933 UTGHLUBKXQCMKM-UHFFFAOYSA-N 313.321 -0.074 30 20 DBED CNC(=O)C1(C(=O)NCCNc2cnc(C#N)cn2)CCC1 1093769275 CWFYTNSXSDETPR-UHFFFAOYSA-N 302.338 -0.207 30 20 DBED N#Cc1ccc(NCCNC(=O)CN2CC(=O)NC2=O)cn1 1093787681 JOZJSBAORFRSLM-UHFFFAOYSA-N 302.294 -0.967 30 20 DBED Cc1nn(C)cc1C(=O)NCc1cn(C2CN(CC#N)C2)nn1 1094279441 LRIBDCKXWAPUTD-UHFFFAOYSA-N 314.353 -0.370 30 20 DBED C=CCN1CC(n2cc(CNC(=O)c3nccnc3N)nn2)C1 1094279650 PFVAWGARLVULKY-UHFFFAOYSA-N 314.353 -0.377 30 20 DBED N#Cc1cnc(NCCCNC(=O)[C@H]2CCNC(=O)C2)cn1 1094381981 KETNGKHPDZQNFA-JTQLQIEISA-N 302.338 -0.207 30 20 DBED N#CCN1CC(N2C[C@@H](NC(=O)c3cnns3)CC2=O)C1 1094712370 WNBJKVJRPJLATR-QMMMGPOBSA-N 306.351 -0.923 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)c3cnnc(C)c3)CC2=O)C1 1094729429 BYSCXYPGAHXOJF-ZDUSSCGKSA-N 313.361 -0.567 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)[C@@H]3CCN(C)[C@@H]3C)CC2=O)C1 1094739314 XOMLBCFXHUWUTO-VNHYZAJKSA-N 318.421 -0.639 30 20 DBED CNC(=O)CC(=O)N1CCC(CN=c2cc[nH]c(C#N)n2)CC1 1095259617 JOYNZRAPJKMPHO-UHFFFAOYSA-N 316.365 -0.443 30 20 DBED CNC(=O)CC(=O)N1CCC[C@H](Nc2cncc(C#N)n2)C1 1095289449 ZLZLZIVFFLORGO-JTQLQIEISA-N 302.338 -0.113 30 20 DBED N#Cc1cnc(N2CC[C@@H](NC(=O)CCn3cncn3)C2)cn1 1096314960 DIELCECQDZAOKO-LLVKDONJSA-N 312.337 -0.275 30 20 DBED C[C@H](CNC(=O)[C@@H]1CC(=O)N(C)C1)N=c1cc[nH]cc1C#N 1098346337 OPHAPCKRXBEDRU-GHMZBOCLSA-N 301.350 -0.230 30 20 DBED CC(=O)NC(C)(C)C(=O)N1CCC(N(CC#N)CCO)CC1 1098501941 MQKLDVUUTCLJPD-UHFFFAOYSA-N 310.398 -0.290 30 20 DBED C=CCCOCC(=O)N1CCC(N(CCO)CCO)CC1 1098577763 QVKIWMQWNMMBIU-UHFFFAOYSA-N 300.399 -0.143 30 20 DBED N#CCNCc1cn([C@H]2CCN(C(=O)[C@@H]3CCCO3)C2)nn1 1098604129 HTWVZSKFISGXBB-STQMWFEESA-N 304.354 -0.156 30 20 DBED C=CCC[C@@H](C)NCc1cn([C@H]2CCN(C(=O)C(N)=O)C2)nn1 1098710616 HSKVRPAHJZXVIJ-YPMHNXCESA-N 320.397 -0.019 30 20 DBED C#CCCN1C[C@@H]2CCC[C@]2(NC(=O)c2nnc(O)nc2O)C1 1098923537 RPJVFLCEZQCSKC-BONVTDFDSA-N 317.349 -0.110 30 20 DBED C[C@@H](CCNC(=O)Cn1cncn1)Nc1cnc(C#N)cn1 1099147434 QGFPAYUAHGCPKH-JTQLQIEISA-N 300.326 -0.053 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(CCc2cnn(C)c2)C[C@H]1O 1099738049 HVOMJIKHQKITFY-LSDHHAIUSA-N 322.409 -0.283 30 20 DBED N#Cc1cccc(CN2CC[C@@H](NC(=O)CC(N)=O)[C@H](O)C2)c1 1099744042 QVTZBPMJYFKGGR-ZIAGYGMSSA-N 316.361 -0.515 30 20 DBED COCCOCCN1CC[C@H](NC(=O)C#CC2CC2)[C@@H](O)C1 1099826345 KBSZYQQWTFZYOJ-GJZGRUSLSA-N 310.394 -0.386 30 20 DBED C=CCN1CC[C@H](NC(=O)CS(=O)(=O)CCCC)[C@@H](O)C1 1100129959 VVORFVWGFWJPIT-STQMWFEESA-N 318.439 -0.061 30 20 DBED C#CCNC(=O)CC(=O)NCC1CC(NCC#CCOC)C1 1100262903 MAFNAXLNHRJEOO-UHFFFAOYSA-N 305.378 -0.740 30 20 DBED C#CCOCCC(=O)NCC1CC(NCc2cnnn2C)C1 1100324704 BDXOPTJZOBQZBI-UHFFFAOYSA-N 305.382 -0.161 30 20 DBED CCN(CCNC(=O)C[C@@H](C)NC(N)=O)c1ccc(C#N)nn1 1100621740 NISZZJZVWVYTED-SNVBAGLBSA-N 319.369 -0.262 30 20 DBED C#CCNC1CC(CNC(=O)C(C)(C)NS(C)(=O)=O)C1 1100742208 LCXNYYLTXIMLFT-UHFFFAOYSA-N 301.412 -0.568 30 20 DBED CC(=O)N[C@@H](C)C(=O)NC[C@H]1CCN(c2cnc(C#N)cn2)C1 1100921861 OHNGZAAFZKYLOB-CMPLNLGQSA-N 316.365 -0.185 30 20 DBED COCC#CCNC1CC(CNC(=O)[C@H]2CCN(C(C)=O)C2)C1 1100925251 DKZKMSDLUCHSIK-PCKAHOCUSA-N 321.421 -0.011 30 20 DBED CNC(=O)NCC(=O)NC[C@H]1CCN(c2ccc(C#N)nc2)C1 1101066494 WIGRBNKAUSRSIZ-LLVKDONJSA-N 316.365 -0.175 30 20 DBED C#CCN1C[C@@H]2CN(C(=O)[C@H](C)NC(=O)COC)C[C@]2(C)C1 1101247469 IJUSAQIJOJBFMH-ZENOOKHLSA-N 307.394 -0.449 30 20 DBED Cc1cc(C#N)nc(N(CCNC(=O)CNC(N)=O)C2CC2)n1 1101280199 OXNZISHMYBJURU-UHFFFAOYSA-N 317.353 -0.590 30 20 DBED CN(CCNc1ccc(C#N)nn1)C(=O)c1c[nH]c(C(N)=O)c1 1101621346 OORYYZMJMQKZPT-UHFFFAOYSA-N 313.321 -0.041 30 20 DBED CN(CCNc1ccc(C#N)cn1)C(=O)CN1CCOCC1=O 1102012114 KMUORYVFOLLQFW-UHFFFAOYSA-N 317.349 -0.318 30 20 DBED CC[C@@H](CNC(=O)CS(C)(=O)=O)Nc1cnc(C#N)cn1 1102997067 AQRRCGUMQIDSLY-VIFPVBQESA-N 311.367 -0.300 30 20 DBED C=CCNCc1cn(C2CN(C(=O)C[C@H]3COC(=O)C3)C2)nn1 1105211102 HLIOXHYBQIPHKO-LLVKDONJSA-N 319.365 -0.110 30 20 DBED Cc1ccnc(C(=O)NC[C@@H](O)CN=c2cc[nH]c(C#N)n2)n1 1105804716 YOSUIDZTRWFNBI-JTQLQIEISA-N 313.321 -0.929 30 20 DBED Cn1ccc(CC(=O)NC[C@H](O)CNc2ccc(C#N)cn2)n1 1105818360 JXNKHKUUEAQGSQ-CYBMUJFWSA-N 314.349 -0.182 30 20 DBED N#Cc1nc(=NC[C@H](O)CNC(=O)[C@@H]2CCCCO2)cc[nH]1 1105820194 SVTQIVSWCALWTO-QWRGUYRKSA-N 305.338 -0.772 30 20 DBED CCn1ncc(C(=O)NC[C@@H](O)CNc2cnc(C#N)cn2)n1 1105822078 IVYQLSXEFPDURJ-JTQLQIEISA-N 316.325 -0.838 30 20 DBED C[C@H](C(=O)NC/C=C/CN=c1cc[nH]c(C#N)n1)n1cncn1 1107162800 UYKXSTCWECNTCB-KXMPLOMGSA-N 312.337 -0.293 30 20 DBED C#CCN1CC(n2cc(CNC(=O)CC3OCCCO3)nn2)C1 1107164200 VDBRLLGCGFLTGS-UHFFFAOYSA-N 319.365 -0.463 30 20 DBED Cc1cc(=NC/C=C\CNC(=O)[C@H]2COC(=O)N2)c(C#N)c[nH]1 1107176323 WSGGAXQEIPLYKD-XQJDBVBESA-N 315.333 -0.124 30 20 DBED Cc1cc(C#N)nc(NC[C@H](C)NC(=O)[C@@H]2COC(=O)N2)n1 1108359930 KXGINICKCSTJFJ-WPRPVWTQSA-N 304.310 -0.318 30 20 DBED CC#CCN1CC(N2C[C@@H](NC(=O)C[C@H](C)OC)CC2=O)C1 1108517630 KSFNCRRPSPCSNI-STQMWFEESA-N 307.394 -0.164 30 20 DBED C[C@@H](CNc1cncc(C#N)n1)NC(=O)CCS(C)(=O)=O 1108773966 YMDVZGAODWSSTQ-VIFPVBQESA-N 311.367 -0.300 30 20 DBED C[C@@H](CC(N)=O)C(=O)N[C@@]1(C)CCN(c2nccnc2C#N)C1 1110802384 MZNFCYHOXMDYJJ-BONVTDFDSA-N 316.365 -0.055 30 20 DBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cn1cncn1 1111368256 SRSQVONDNBQNQQ-UPJWGTAASA-N 318.381 -0.698 30 20 DBED COCC#CCN1CCC2(CC1)CN(C(=O)C(N)=O)C[C@@H](C)O2 1111549115 ONBSNDSUAPDPNW-CYBMUJFWSA-N 323.393 -0.797 30 20 DBED C[C@@H]1OCCC[C@@H]1C(=O)N1CCN(CC(=O)NCC#N)CC1 1112802812 BWXSCNVPJYSSRD-STQMWFEESA-N 308.382 -0.415 30 20 DBED C[C@H](CNC(=O)CNC(=O)C1CC1)N(C)c1cncc(C#N)n1 1113505014 NRKWXGZRGFFSPZ-SNVBAGLBSA-N 316.365 -0.185 30 20 DBED COC[C@H](O)CN1C[C@H]2C(NC(=O)c3cc(C#N)c[nH]3)[C@@H]2C1 1114103717 ONECHMDVNITDBP-IJLUTSLNSA-N 304.350 -0.446 30 20 DBED N#CCNC(=O)CN1C[C@H]2C(NC(=O)CCc3ccoc3)[C@@H]2C1 1114132474 FLCNPDNOTYVGGM-CHWSQXEVSA-N 316.361 -0.102 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)c3c(C)ccn3C)[C@@H]2C1 1114175864 MCFQBKCJSOIWKK-CHWSQXEVSA-N 314.389 -0.257 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)CCc3ncc[nH]3)[C@H]2C1 1114206617 NFRMBWFLZYMBFI-RYUDHWBXSA-N 317.393 -0.309 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)c3nonc3C)[C@H]2C1 1115346375 VLTCNJRBDNUNCP-DCAQKATOSA-N 319.365 -0.271 30 20 DBED C[C@H](CS(C)(=O)=O)C(=O)OCC(=O)NC1(C#N)CCC1 1117285724 CBQMHRXLJXDDFL-SECBINFHSA-N 302.352 -0.227 30 20 DBED C=CCCOCCNC(=O)C(=O)N[C@@H](C)CS(C)(=O)=O 1117377943 OJWBPKNKZYFNLE-JTQLQIEISA-N 306.384 -0.755 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CCO[C@H]([C@@H]2CCCO2)C1 1117543060 CIBXULYSOXCEHM-AGIUHOORSA-N 312.366 -0.290 30 20 DBED Cn1nccc1C(=O)NC[C@@H](CO)Nc1nccnc1C#N 1121177139 GGBFEQPMSVQDNQ-VIFPVBQESA-N 301.310 -0.715 30 20 DBED N#Cc1nccnc1N[C@@H](CO)CNC(=O)Cc1ccon1 1121257183 JCJHJKQCRJNMCB-SNVBAGLBSA-N 302.294 -0.532 30 20 DBED CN(C[C@@H](O)CNc1ccc(C#N)cn1)C(=O)CCCC(N)=O 1124394603 YJFQKPACCDCFAL-LBPRGKRZSA-N 319.365 -0.160 30 20 DBED CN(C)CCCC(=O)N(C)C[C@@H](O)CN=c1cc[nH]cc1C#N 1124683888 STZVUYSRLUBDDL-AWEZNQCLSA-N 319.409 -0.052 30 20 DBED C#CCNCc1nnc2n1CC[C@H](NC(=O)[C@@H](C)C#N)CC2 1127964699 NRNFVTPXMLKKFQ-NWDGAFQWSA-N 300.366 -0.018 30 20 DBED CCC(=O)NCc1cnn2c1CN(CC(=O)NCC#N)CC2 1128143085 WSQHWEFDIUWZDJ-UHFFFAOYSA-N 304.354 -0.635 30 20 DBED C=CCOCCN1C[C@H](n2ccnn2)[C@H](NC(=O)COCC)C1 1128652355 KFYMBHFXZISFLO-KGLIPLIRSA-N 323.397 -0.141 30 20 DBED N#Cc1ccc(CNCCNC(=O)CN2CCOCC2=O)cc1 1129550656 IOOJKPJGYTXSSE-UHFFFAOYSA-N 316.361 -0.377 30 20 DBED C#CCN[C@@H]1CN(C(=O)CNC(=O)CCC)C[C@@H]1n1ccnn1 1129647128 PDOVRDCPJSQYIU-OLZOCXBDSA-N 318.381 -0.831 30 20 DBED C#CCCN[C@@H]1CN(C(=O)c2ccn(C)n2)C[C@@H]1n1ccnn1 1130123466 SDSKAVACLMWRQE-KGLIPLIRSA-N 313.365 -0.310 30 20 DBED C#CCN1CCOC[C@H]1c1n[nH]c(CNC(=O)[C@@H](CC)OC)n1 1130835741 QKICNVMCZYZHAX-NWDGAFQWSA-N 321.381 -0.148 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)c1ccc(C(N)=O)o1 1131107170 KIZMTFDZNSXOSM-SECBINFHSA-N 308.338 -0.611 30 20 DBED C#CCCN1C[C@H]2C[C@H]3CN(C(=O)CNC(=O)CC)C[C@@]3(C1)O2 1131209753 ICIZEMLRVXXAJY-JJRVBVJISA-N 319.405 -0.162 30 20 DBED C#CCN1CC[C@@]2(C1)CN(C(=O)CNC(=O)C1CC1)C[C@@H](C)O2 1131631747 INNSGIJYYOCNGG-CXAGYDPISA-N 319.405 -0.162 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)Cc2ncc[nH]2)CC[C@H]1C 1132381399 XUBPINZGROJTJW-OLZOCXBDSA-N 317.393 -0.329 30 20 DBED C[C@@H]1CCN(C(=O)c2cc[nH]n2)C[C@H]1CNCC(=O)NCC#N 1132654982 GFMWOXHYEMVTQC-VXGBXAGGSA-N 318.381 -0.263 30 20 DBED N#CCNC(=O)CNCCNC(=O)[C@@H]1CCCc2cccnc21 1132733419 BQIHESQPLFQQGA-CYBMUJFWSA-N 315.377 -0.153 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@H]1CCCN(CCC)C1 1132737221 JMOWRPLCLBZZTA-AWEZNQCLSA-N 308.426 -0.436 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NCCN[C@H]1CCCNC1=O 1134816737 IAGRAKWATLKZLF-STQMWFEESA-N 310.398 -0.558 30 20 DBED C#CCOc1ccc(C(=O)NCCNCC(=O)NCC#N)cc1 1134950135 DRDSCRUXRKMBCA-UHFFFAOYSA-N 314.345 -0.342 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1ccc2nc(C)[nH]c2c1 1135892339 FXXAWXQNXZCCQK-UHFFFAOYSA-N 313.361 -0.060 30 20 DBED COC[C@@H](C)CC(=O)N1CC2(CCN(CC(=O)NCC#N)C2)C1 1148511335 LVGKNTYTUHCAJD-ZDUSSCGKSA-N 322.409 -0.167 30 20 DBED C#CCN1CCC(C(=O)NCCNCC(=O)NCC(C)C)CC1 1152330455 NNRHAFYMXWPLBE-UHFFFAOYSA-N 322.453 -0.190 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)NCCNCc1cncn1C 1152398744 HXJYGDYVGXGBON-UHFFFAOYSA-N 322.413 -0.110 30 20 DBED CCN(CCN(C)S(C)(=O)=O)[C@H](C)CNC(=O)[C@@H](C)C#N 1152413763 QTQKYNHJDWQWCL-NWDGAFQWSA-N 318.443 -0.136 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)CC(=O)NCC 1152883066 OIZMMMKKCLHOSM-GFCCVEGCSA-N 310.398 -0.911 30 20 DBED COCC#CCNCCNC(=O)CCCCCS(N)(=O)=O 1153945899 IEPDOILQCBAFPA-UHFFFAOYSA-N 319.427 -0.809 30 20 DBED CCC[C@@H](C(=O)NC[C@@H](C)N(CC)CC#N)S(N)(=O)=O 1154469404 XBCPPSMSDDAJFD-MNOVXSKESA-N 304.416 -0.206 30 20 DBED C[C@H](C#N)C(=O)NCCCNCc1nnnn1CC(F)(F)F 1155842015 KEBBRFMDMMZNTB-MRVPVSSYSA-N 319.291 -0.009 30 20 DBED C#CCCN1CC=C(CCNC(=O)CS(=O)(=O)NC)CC1 1161894155 YRIOTVXBRVWNJJ-UHFFFAOYSA-N 313.423 -0.303 30 20 DBED Cc1nn(CC(=O)NCCC2(CNCC#N)CC2)c(=O)n1C 1167942561 WSFWAFJRIULQSO-UHFFFAOYSA-N 306.370 -0.710 30 20 DBED COCc1nc(C(=O)NCCCNCC(=O)NCC#N)co1 1169637763 JLOUTLCGDPFMRX-UHFFFAOYSA-N 309.326 -0.830 30 20 DBED CNC(=O)CC(=O)N1C[C@H]2CC[C@H]1[C@H](CNCC#CCOC)C2 1177715214 FCKGMSAZBVCSPL-KKUMJFAQSA-N 321.421 -0.011 30 20 DBED C[C@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)[C@@H](C)n1cccn1 1178161155 XXAVOMPLDPJZAK-XQQFMLRXSA-N 318.381 -0.337 30 20 DBED CCN(CC)S(=O)(=O)CC(=O)N1CC[C@H](NCC#N)[C@@H]1C 1179644778 VDAGOMJFWGGLME-RYUDHWBXSA-N 316.427 -0.239 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H](N[C@@H](C)C(=O)NC)[C@@H]2C)nn1 1179673905 AJHRMPFHSCNHBU-SRVKXCTJSA-N 320.397 -0.209 30 20 DBED C=CCOCCNC[C@]1(C)CN(C(=O)Cn2cnnn2)C[C@H]1C 1180535875 GWGZSLWSEYPZAE-UKRRQHHQSA-N 322.413 -0.050 30 20 DBED CC(=O)N1CCO[C@H](C(=O)N2C[C@@H](C)[C@](C)(CNCC#N)C2)C1 1183298142 PJSNZWNPFOVWCX-IVMMDQJWSA-N 322.409 -0.169 30 20 DBED CC#CCNCc1cn([C@H]2CCCN(C(=O)CC(N)=O)C2)nn1 1185898792 GIGAXLYVXMZGFV-ZDUSSCGKSA-N 318.381 -0.570 30 20 DBED C#CCOCCC(=O)N1CC[C@H]2CN([C@H]3CCN(C)C3=O)C[C@H]21 1187873693 DABGIXWVKGQWOZ-SOUVJXGZSA-N 319.405 -0.210 30 20 DBED C=CCOCC(=O)N1CC[C@@H](N(C)CC(=O)NC(=O)NC)C1 1189380948 TWRRMOGYQYQYHP-LLVKDONJSA-N 312.370 -0.823 30 20 DBED CC#CCN(C)[C@@H]1CCN(C(=O)[C@H](CCC)S(N)(=O)=O)C1 1191553023 YJEWYQKFUHEUAI-OLZOCXBDSA-N 315.439 0.000 30 20 DBED C=CCCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2ncnn2C)C[C@H]1O 1191608137 KHNDZTZNQMXCLD-YNEHKIRRSA-N 323.397 -0.542 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2cc(OC)no2)C[C@H]1O 1192891333 KZAWEHRARNFMIN-RAIGVLPGSA-N 323.349 -0.617 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(CC[C@H]2CCOC2)C[C@H]1O 1192891876 RDMPVFZEZKQMSX-RRFJBIMHSA-N 310.394 -0.386 30 20 DBED C=CC(C)(C)CC(=O)N[C@@H]1CN(C[C@H](O)COC)C[C@H]1O 1193337145 JQBUSLTYVZLMOM-YNEHKIRRSA-N 300.399 -0.243 30 20 DBED CC#CCN(C)[C@@H]1CCN(C(=O)[C@H]2COCCN2C(C)=O)C1 1194126326 YQGGAUPZJUOKPR-HUUCEWRRSA-N 307.394 -0.210 30 20 DBED CC#CCCCC(=O)N[C@@H]1CN([C@H](C)c2nnnn2C)C[C@H]1O 1195466554 AIGFBECAWJICEV-JHJVBQTASA-N 320.397 -0.374 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@@H]3C[C@@H]3C2)C1 1195526358 VADUICICYNVANO-MBJXGIAVSA-N 307.394 -0.504 30 20 DBED C#CCOCCC(=O)N1CCCN([C@@H]2CCN(C)C2=O)CC1 1195798678 LBKHHLZTRFRXTM-CQSZACIVSA-N 307.394 -0.209 30 20 DBED C#CCOCCC(=O)N1CCCN([C@@H]2CCCNC2=O)CC1 1195824229 NOWWUVBDIRDXKK-CQSZACIVSA-N 307.394 -0.161 30 20 DBED C[C@@H]1OCC[C@@]1(C)C(=O)N1CCCN(CC(=O)NCC#N)CC1 1196602602 OJIQUJGWTMBJHQ-XJKSGUPXSA-N 322.409 -0.024 30 20 DBED CO[C@H](C(=O)N1CCCN(CC(=O)NCC#N)CC1)C1CCC1 1196674372 VKZVSFZBHBDTBG-HNNXBMFYSA-N 322.409 -0.024 30 20 DBED N#CCNC(=O)CNC[C@@H]1CN(C(=O)c2cocn2)CCCO1 1200093344 UIIWAOBBOKGCMI-LLVKDONJSA-N 321.337 -0.865 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)[C@H]2CCC(=O)NC2)CCCO1 1200866874 ZBWIVUAGQOKWGG-UONOGXRCSA-N 307.394 -0.257 30 20 DBED C=CCCCNC[C@H]1CN(C(=O)c2nnn(C)n2)CCCO1 1201185648 CGBULPAVJCJNRD-LBPRGKRZSA-N 308.386 -0.003 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)Cc2nc[nH]n2)CCCO1 1201834014 RXLOJGCPRUBQEC-CYBMUJFWSA-N 321.381 -0.796 30 20 DBED N#CCNCC1CCN(C(=O)C2CC3(C2)NC(=O)NC3=O)CC1 1206562286 UZZYIQXKKQUKEX-UHFFFAOYSA-N 319.365 -0.674 30 20 DBED Cc1nnccc1C(=O)N1CCC[C@H](NCC(=O)NCC#N)C1 1208497661 GCTGWZPBNNFZRF-LBPRGKRZSA-N 316.365 -0.381 30 20 DBED C=CCOCCN[C@H]1CCCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 1209858372 YTFSCAYAHYRNAE-RYUDHWBXSA-N 324.381 -0.632 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)Cc2nc[nH]n2)[C@H](C)C1 1210172248 HDSBNEGGPZODTB-IJLUTSLNSA-N 320.397 -0.526 30 20 DBED C#CCCN[C@@H]1CCCN(C(=O)CN2C(=O)NC(=O)C2(C)C)C1 1210476428 XWRWGMFBVCVURR-GFCCVEGCSA-N 320.393 -0.079 30 20 DBED CO[C@@H]1CN(Cc2nncn2C)C[C@H]1NC(=O)CSCC#N 1211888602 DVPGXFRXMDJVCY-GHMZBOCLSA-N 324.410 -0.613 30 20 DBED C#CCN[C@@H]1CN(C(=O)CCNC(=O)[C@@H]2CCCO2)C[C@H]1C 1217037905 PTHJRWWUNIRYFB-MCIONIFRSA-N 307.394 -0.259 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)c2ccc(C)o2)C1 1219138984 DZPFRKJGZROWEA-XQQFMLRXSA-N 319.361 -0.499 30 20 DBED Cc1occc1C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@@H]1O 1219155756 PJBJXLXMWVZGAN-NEPJUHHUSA-N 306.322 -0.997 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CN(Cc2cc3n(n2)CCC3)C[C@@H]1O 1219381578 WNSANMHEFVIXGS-HONMWMINSA-N 303.366 -0.350 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2cccnc2)C[C@@H]1O 1219602998 NRHFAICDEGEIHO-YUELXQCFSA-N 303.362 -0.219 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)CS(=O)(=O)CC(C)C)C1 1219891995 NOKJDAGPCQFCPC-NEPJUHHUSA-N 304.412 -0.596 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2cccnc2C)C1 1220233874 KKMUEEPHUUXJIS-KGLIPLIRSA-N 318.377 -0.533 30 20 DBED CCc1cc(C(=O)N[C@@H]2CN(CC#CCOC)C[C@@H]2O)nn1C 1221176303 UXMVSDHOTWQVST-CABCVRRESA-N 320.393 -0.593 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]2CCN(CC(=O)NC(N)=O)[C@H]2C1 1222442423 KCYFNOGDOWZNKI-AXFHLTTASA-N 307.354 -0.736 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CCN(C(=O)COCC=C)C[C@@H]21 1222448214 NYRTYCGMSIENAG-CABCVRRESA-N 319.405 -0.139 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CCN(C(=O)c3nc[nH]n3)C[C@@H]21 1223698167 VHFSJVMDNKLGCN-NEPJUHHUSA-N 316.365 -0.910 30 20 DBED CC(C)C#CC(=O)NC1CCN(CCNS(C)(=O)=O)CC1 1227265333 IFVVYJNODCMUTM-UHFFFAOYSA-N 315.439 -0.224 30 20 DBED CCN(CCC#N)C(=O)CN1CC[C@H]1CN(C)C(=O)COC 1230539007 PPGAQLCOGYPIGX-ZDUSSCGKSA-N 310.398 -0.072 30 20 DBED C=CCOCC(=O)N(C)C[C@H]1CCN1CC(=O)NC(=O)NC 1231232643 FOOSKJSDGIUJLO-LLVKDONJSA-N 312.370 -0.823 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)c1ccnc(O)c1 1233610016 DCTRKMITXHRRKM-ZDUSSCGKSA-N 316.361 -0.317 30 20 DBED C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)CCN1 1262069785 KOIBMWRLNJZDKC-YRGRVCCFSA-N 319.409 -0.558 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H](C)CCNC(=O)c1cn(C)c(O)n1 1267144159 TZOVMVYVWMUHNZ-QWRGUYRKSA-N 323.397 -0.086 30 20 DBED C=CCN(C(=O)CS(=O)(=O)CC)[C@@H]1CCS(=O)(=O)C1 1319914191 AQJWUXRWAKCFCY-SNVBAGLBSA-N 309.409 -0.377 30 20 DBED C=CC[C@@H](NC(=O)Cn1cc(C(=O)OC)nn1)C(=O)OCC 1320139373 IBEUSTZMACJYDL-SECBINFHSA-N 310.310 -0.311 30 20 DBED COC[C@@H](CNC(=O)C(=O)Nc1cc(C)n(CCC#N)n1)OC 1323627249 UZCWBZMEHDFGBN-LLVKDONJSA-N 323.353 -0.179 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCC[C@@]1(C)CO 1325695709 GAWLVTCHYZZSQE-ZDUSSCGKSA-N 318.395 -0.923 30 20 DBED CN(C)CCOCCNC(=O)C(=O)N1CCC[C@H](CC#N)C1 1328994363 ICOFGVVSFYLDIO-CYBMUJFWSA-N 310.398 -0.167 30 20 DBED Cc1cc(NC(=O)C(=O)NCCn2ncnn2)ncc1C#N 1329054098 KUDOXGBANWAEKB-UHFFFAOYSA-N 300.282 -0.997 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CC[C@H](C)[C@@H]1C 1329811404 CKEGSCBSWQEGOD-QWRGUYRKSA-N 302.396 -0.040 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)NC[C@H]1C=CCC1 1332213270 IEVCSDZTSZFXEA-NSHDSACASA-N 300.380 -0.214 30 20 DBED CC(C)N1CCN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)CC1 1332384748 LOTKTOPHXZDNLT-HNNXBMFYSA-N 308.382 -0.584 30 20 DBED C#CCSCCNC(=O)C(=O)NCCCN1CCOCC1 1344796922 BTIXKBQVATVYPY-UHFFFAOYSA-N 313.423 -0.693 30 20 DBED N#Cc1cn(CC(=O)N2CCC(=O)CC23CCC3)c(=O)nc1O 1363658255 SXEQTBQUNUSDRD-UHFFFAOYSA-N 316.317 -0.065 30 20 DBED COC(=O)[C@@H](c1cccc(C#N)c1)N(C)CCS(N)(=O)=O 1364491858 XLUXKNJAURFCEX-GFCCVEGCSA-N 311.363 -0.007 30 20 DBED CNC(=O)NCC(=O)N(C)CC(C)(C)CNC(=O)[C@H](C)C#N 1380562432 MYNUMZPGGXQUTD-SNVBAGLBSA-N 311.386 -0.324 30 20 DBED COCCN(CCNC(=O)Cn1cc(C)cn1)C(=O)[C@@H](C)C#N 1384390599 MHYQYHNOAUPHGP-ZDUSSCGKSA-N 321.381 -0.058 30 20 DBED Cc1nnc2n1C[C@H](C(=O)N1CC(NC(=O)[C@H](C)C#N)C1)CC2 1389399763 CZGMNXXISWBHOK-MWLCHTKSSA-N 316.365 -0.364 30 20 DBED C[C@@H](CC[S@@](C)=O)NC(=O)Cn1cc(C#N)c(O)nc1=O 1412590676 LHQLZRATLDQWRC-HXNGOWOSSA-N 312.351 -0.906 30 20 DBED Cc1nnc(N2CCO[C@@H](C#N)C2)n1Cc1nnc2n1CCC2 1417474753 FWYPMEPCXSUFDX-NSHDSACASA-N 314.353 -0.099 30 20 DBED N#CCc1ccccc1C(=O)N1CCN(CC(N)=O)C(=O)C1 1417950131 TZOMTWXFZAECMB-UHFFFAOYSA-N 300.318 -0.478 30 20 DBED C[C@@H](C(=O)N(C)C)N1CCN(CCNC(=O)[C@H](C)C#N)CC1 1419131067 POLBTDVXHWIPOR-OLZOCXBDSA-N 309.414 -0.643 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCN1CCN(Cc2cn(C)nn2)CC1 1443291495 OOKOCRPIOJBSBG-ZDUSSCGKSA-N 319.413 -0.449 30 20 DBED C=C(Cl)CN1CCOC[C@H]1CNC(=O)CNC(=O)NC 1447162449 YDDOTTVBUZCDNL-SNVBAGLBSA-N 304.778 -0.515 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CN(C)C(=O)CN(C)C1CCC1 1451878623 XAQDJRZYHKILCI-WCQYABFASA-N 310.398 -0.434 30 20 DBED COCCn1ccc(C(=O)N(C)CCNC(=O)[C@H](C)C#N)n1 1455436985 XTOWYKZNYPYPFS-LLVKDONJSA-N 307.354 -0.123 30 20 DBED C[C@@H](CN1CC(NC(=O)c2cc(C#N)c[nH]2)C1)CS(C)(=O)=O 1481552377 ORFDOJQKXVXROH-JTQLQIEISA-N 324.406 -0.019 30 20 DBED Cn1c(=O)[nH]c(NCCc2nnc3ccccn23)c(C#N)c1=O 1559282344 NSHPINHJKSRYQQ-UHFFFAOYSA-N 311.305 -0.357 30 20 DBED CS(=O)(=O)CC[C@@H](N)C(=O)NCC1(C#N)CCOCC1 1574057262 JXXIYIMQUOOMTP-SNVBAGLBSA-N 303.384 -0.815 30 20 DBED C#CCN1CCC2(C1)CN(C(=O)c1ccc(-c3nn[nH]n3)[nH]1)C2 1588351984 BLTGVCCKVSKRIQ-UHFFFAOYSA-N 311.349 -0.024 30 20 DBED C#C[C@H](NC(=O)C(=O)N1C[C@@H](C)[C@H](CC(=O)O)C1)[C@@H]1CCCO1 1588370497 FJAZAEQBNPDOJZ-NDBYEHHHSA-N 322.361 -0.147 30 20 DBED C#CCN(CC(=O)O)C(=O)C(=O)Nc1ccc2c(c1)OCCO2 1588394653 GPASTPNMPGVUPI-UHFFFAOYSA-N 318.285 -0.057 30 20 DBED C=CCOC[C@@H](NC(=O)CNC(=O)c1ncccc1O)C(=O)O 1588854258 SYORAKCFPFTSDK-SECBINFHSA-N 323.305 -0.711 30 20 DBED C=CCOC[C@@H](NS(=O)(=O)N(C)C[C@@H](C)C#N)C(=O)O 1588866289 LFOXYORXBYIOAF-VHSXEESVSA-N 305.356 -0.432 30 20 DBED COCCN(CCOC)c1cnc(C#N)c(-c2nn[nH]n2)n1 1591424488 FFVQXWUDZMZXHW-UHFFFAOYSA-N 304.314 -0.372 30 20 DBED C[C@]1(C#N)CCCN(C(=O)C(=O)N2C[C@@H](O)C[C@H](C(=O)O)C2)C1 1593740803 VTOVMRLJOVGTBP-ZIBATOQPSA-N 323.349 -0.567 30 20 DBED N#Cc1cn(CC(=O)O)c(=O)n(CCOCC2CCC2)c1=O 1594633385 RIXYSEOYBVWNTF-UHFFFAOYSA-N 307.306 -0.217 30 20 DBED Cc1nc(C(=O)N2CC(=O)N(C)C[C@H]2C(=O)O)ccc1C#N 1600682531 GDHSPJQEPCGRGA-NSHDSACASA-N 302.290 -0.371 30 20 DBED N#Cc1csc(CNC(=O)CN2CCC[C@@H](C(=O)O)C2=O)n1 1601132086 FOMWKFPJWDSBOP-SECBINFHSA-N 322.346 -0.046 30 20 DBED C=C(C)CCNC(=O)Cn1cc(-c2nn[nH]n2)c(O)nc1=O 1602758851 RJDRBLMKRIAZTF-UHFFFAOYSA-N 305.298 -0.789 30 20 DBED C=CCn1cc(C(=O)NS(=O)(=O)[C@@H](C)[C@H](C)C(=O)O)nn1 1602937802 HOPBKVOUJSOKSE-YUMQZZPRSA-N 316.339 -0.367 30 20 DBED CC#CC[C@@H](NS(=O)(=O)c1c[nH]c(C(=O)O)c1)C(=O)O 1609489239 XFLIDHYKEPPVHU-MRVPVSSYSA-N 300.292 -0.142 30 20 DBED Cn1c(N2CC[C@]3(CCOC3=O)C2)c(C#N)c(=O)n(C)c1=O 1646637526 CPEHICFDCXRSQI-AWEZNQCLSA-N 304.306 -0.901 30 20 DBED CC(C)C1(O)CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC1 1646638844 WEIZHVILFVNRFX-UHFFFAOYSA-N 306.366 -0.057 30 20 DBED C=CCCCN[C@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 1661310628 XBYQSEPZCYLQJN-NSHDSACASA-N 306.370 -0.466 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1C[C@H](NC(=O)c2nccn2CC)C1 1752627363 GVWFDQJUAIEMCZ-AVGNSLFASA-N 317.393 -0.109 30 20 DBED C#CCNC(=O)CNC[C@@H]1CCCN(C(=O)CCCC(N)=O)C1 1752814305 GFBWMVHWFCSYGG-ZDUSSCGKSA-N 322.409 -0.780 30 20 DBED CC(C)[C@@H]1C[C@H]1C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1752846164 QCBBNURPHROTRS-GGAZOKNXSA-N 304.394 -0.035 30 20 DBED C[C@H](CCNC(=O)[C@]1(C)CCC(=O)NC1)NCC(=O)NCC#N 1753012108 NSNTXVVODNMDJV-IAQYHMDHSA-N 323.397 -0.973 30 20 DBED C#CCNC(=O)CN1CC(CNC(=O)c2coc(CC)n2)C1 1753400600 CWMLNRBDWDZERO-UHFFFAOYSA-N 304.350 -0.352 30 20 DBED C=CCCN1CCO[C@H](CNC(=O)CN2CCOCC2=O)C1 1753654668 AKBOMLRGQBVGGY-CYBMUJFWSA-N 311.382 -0.762 30 20 DBED CC(C)(C(N)=O)C(=O)NC[C@@H](O)CNCc1ccccc1C#N 1753913794 LINCQZNQXCMMIC-ZDUSSCGKSA-N 318.377 -0.364 30 20 DBED C=C[C@](C)(CC)C(=O)NC[C@@H](O)CNCC(=O)NC(=O)NC 1753924840 CVDVBYVBOCBMMY-IINYFYTJSA-N 314.386 -0.889 30 20 DBED C[C@H](Oc1ccccn1)C(=O)N[C@H](C)CNCC(=O)NCC#N 1754249711 VFCQKCAOVWLRLR-NEPJUHHUSA-N 319.365 -0.417 30 20 DBED COCC#CCNC[C@H](C)NC(=O)C(C)(C)N1CCOCC1 1754288823 GAQLHIJTQZIJGR-AWEZNQCLSA-N 311.426 -0.159 30 20 DBED C#CCCN(C)CCCC(=O)N1CCC(NC(=O)C(N)=O)CC1 1754550822 FQZUYNRDQMRIGA-UHFFFAOYSA-N 322.409 -0.686 30 20 DBED C=CCCCN1CC[C@@](O)(CNC(=O)C2CN(C(C)=O)C2)C1 1754749466 VVSQFZBSGVPIEO-MRXNPFEDSA-N 309.410 -0.016 30 20 DBED C=C(C)CNC[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)C[C@@H]1C 1754826618 DRYKEIHRSZZPHL-NWDGAFQWSA-N 308.382 -0.202 30 20 DBED C#CCNCCN(CCO)C(=O)[C@@H]1CCCN(C(=O)CC)C1 1754884476 OPDRWOGGCSEHQH-CQSZACIVSA-N 309.410 -0.321 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)c2c(C)cnn2C)CCO1 1755006837 HOEZKFJARUDOBF-CQSZACIVSA-N 320.393 -0.191 30 20 DBED C#CCNC[C@H]1CN(C(=O)[C@H]2CCCc3nn[nH]c32)CCO1 1755011156 SFWWYXXGHJGNSU-RYUDHWBXSA-N 303.366 -0.325 30 20 DBED C=CCN1CC[C@H](N2CC([C@H](C)NC(=O)CNC(C)=O)C2)C1=O 1755371875 WSKFSDCQWRYNTI-FZMZJTMJSA-N 322.409 -0.654 30 20 DBED COCC#CCN[C@H](C)CN(C)C(=O)[C@H]1CCNC(=O)CC1 1755596780 NBYDLKKPXBGBBO-ZIAGYGMSSA-N 309.410 -0.011 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@@H](C)N(C(=O)c2ccn(CC)n2)C1 1755687012 RTKVCAKOJVNMFF-OLZOCXBDSA-N 317.393 -0.155 30 20 DBED COCC#CCN(C)C[C@H](O)CN(C)C(=O)Cc1cnn(C)c1 1755798911 DCFLTNGDKFKATI-HNNXBMFYSA-N 322.409 -0.637 30 20 DBED CCN(C)CCC(=O)NCC1=CCN(CC(=O)NCC#N)CC1 1755897034 LKQGVOHVWDUCMZ-UHFFFAOYSA-N 321.425 -0.284 30 20 DBED C=C(C)CCC(=O)NC[C@H](C)N(C)C(=O)CS(=O)(=O)NC 1756036605 OZKZKCXIFXBYRW-NSHDSACASA-N 319.427 -0.145 30 20 DBED CCc1n[nH]cc1C(=O)N1C[C@@H](O)[C@H](NC(=O)C#CC(C)C)C1 1756994357 JUCWMDAQZVMUCT-ZIAGYGMSSA-N 318.377 -0.067 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@H](NC(=O)c2cnn[nH]2)[C@H]1C 1757526031 VSRUFMSKWABTBX-MXWKQRLJSA-N 305.338 -0.438 30 20 DBED C[C@H](O)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)S)CCO2 1783523994 MNDTXGNEGYMKJS-OPQQBVKSSA-N 302.396 -0.485 30 20 DBED C/C=C/C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783564714 DHXSKHQCARNGGH-FAAWYNLUSA-N 306.318 -0.520 30 20 DBED C#CCCC(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783568314 SPKDWACPDHRTBQ-MRXNPFEDSA-N 318.329 -0.682 30 20 DBED C=CCO[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](N)CN)C2 1793581949 VZKINHOPPIHTNH-HPCHECBXSA-N 324.425 -0.498 30 20 DBED N#CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncccn1 1794814902 TXBIBFWWRQPXBQ-PTEHBNRSSA-N 315.333 -0.407 30 20 DBED C#CC(=O)N1CC2(CCCN2C(=O)CNC(=O)c2ccco2)C1 1843078585 FHZAEVTXLSZHRH-UHFFFAOYSA-N 315.329 -0.154 30 20 DBED C#CCNS(=O)(=O)c1cccc(C(=O)Nc2nc[nH]n2)c1 26259897 VESLWJYEEYQERH-UHFFFAOYSA-N 305.319 -0.032 30 20 DBED CS(=O)(=O)NCCNS(=O)(=O)c1ccc(C#N)cc1 35207855 NJCSTUTYMBAOQK-UHFFFAOYSA-N 303.365 -0.614 30 20 DBED C=CCNC(=O)NC(=O)CN(C)CC(=O)NCCCOC 53141601 AVRVLUDROQSTAU-UHFFFAOYSA-N 300.359 -0.917 30 20 DBED C#CCN(C)CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 192233762 ODJPGOSIZBEDDZ-UHFFFAOYSA-N 309.391 -0.442 30 20 DBED COC(=O)[C@@H]1C[C@@H](O)CN1CC(=O)NCc1ccc(C#N)cc1 264631455 VARGOHQTNYDEDO-KGLIPLIRSA-N 317.345 -0.217 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)c2ncccc2O)CC1 265079279 PVCVUFNDBAESAD-UHFFFAOYSA-N 316.361 -0.316 30 20 DBED CCN1CCC[C@H]1CN/C(N)=N/CCNC(=O)c1ccn[nH]1 272441494 UQQQHWLPZHNNEJ-NSHDSACASA-N 307.402 -0.472 30 20 DBED C[C@H](O)[C@@H](NS(=O)(=O)c1c(F)cc(C#N)cc1F)C(=O)O 274970630 WGJQBEPMLANHKJ-SSDLBLMSSA-N 320.273 -0.051 30 20 DBED C[C@@H]1CN(S(=O)(=O)Cc2ccc(C#N)cc2)C[C@@H](C(N)=O)O1 288259386 HIDJSKMHTYHCKQ-MFKMUULPSA-N 323.374 -0.037 30 20 DBED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@@H]2CO)cc1 290722946 LLDUKOJDLDNICO-GFCCVEGCSA-N 323.374 -0.180 30 20 DBED C=CCN(C)C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 298067999 LTOWFXLNGDJPSM-ZDUSSCGKSA-N 322.409 -0.604 30 20 DBED CCN1CCC[C@@H]1CN/C(N)=N/CCOCCS(C)(=O)=O 304805941 RRWZLGCDTKREOR-GFCCVEGCSA-N 320.459 -0.564 30 20 DBED C[C@@H]1CN(/C(O)=N/Cc2ncn(C)n2)C[C@H]1N1CCOCC1 329043377 FCAOQQJFRAYQJQ-VXGBXAGGSA-N 308.386 -0.118 30 20 DBED Cn1cnn(C/C(O)=N/C[C@@H]2CCCCS2(=O)=O)c1=O 329661577 PAABXKDKAVGOBV-VIFPVBQESA-N 302.356 -0.494 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCN(C)C(=O)C2)CC1 330539058 UWGLMXZAQWVNJJ-ZDUSSCGKSA-N 322.409 -0.699 30 20 DBED CNC(=O)[C@@H]1CCCCN1CC(=O)N/C(O)=N/[C@@H](C)COC 330628297 YUKGEGKXWMPRKM-QWRGUYRKSA-N 314.386 -0.348 30 20 DBED CNC(=O)[C@@H]1CN([C@H](C)C(=O)N/C(O)=N/CC(C)C)CCO1 330794395 DKHHXIGDMMIXDN-MNOVXSKESA-N 314.386 -0.492 30 20 DBED CN1CCO[C@H](CN(CC2CC2)C(=O)Cn2cnc(C#N)n2)C1 333088954 ZBPCXOCQVAUTBX-ZDUSSCGKSA-N 318.381 -0.281 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)NC(C)(C)CS(C)(=O)=O 337795471 FHEKYSDVJXTFTH-VIFPVBQESA-N 311.429 -0.122 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N[C@@H](C)CN1CCOCC1 340252654 VKNGVHOOYGBPRG-ZDUSSCGKSA-N 313.398 -0.516 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2C=C[C@H](CO)C2)C1=O 341926720 VNGLAKCCPWQEHL-VHSXEESVSA-N 307.306 -0.984 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N[C@@H]1CCN(CCOC)C1 343922106 TWRVOARIHZMINA-CYBMUJFWSA-N 313.398 -0.516 30 20 DBED N#CCNC(=O)CNC(=O)c1cc(N2CCOCC2)ccn1 344183226 QXQQGOICWTVAGH-UHFFFAOYSA-N 303.322 -0.712 30 20 DBED Cc1nc(C(=O)NCCCN2CCNC(=O)C2)ccc1C#N 344673039 HSYASOOBFAANQO-UHFFFAOYSA-N 301.350 -0.187 30 20 DBED CN(C(=O)C(=O)Nc1ccc(C#N)cc1F)[C@@H]1COC[C@@H]1O 356918608 OSIZYCOMSYZMHR-NEPJUHHUSA-N 307.281 -0.146 30 20 DBED N#CCNC(=O)CNC(=O)N[C@H]1COc2ccccc2[C@H]1O 365813305 MOMPCUYPICTGRL-GXFFZTMASA-N 304.306 -0.580 30 20 DBED CC(=O)NC[C@@H]1CCCN(c2c(C#N)c(=O)n(C)c(=O)n2C)C1 408110543 RHQJCBFJESSOHA-NSHDSACASA-N 319.365 -0.692 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCC(N)(CC)CC)C1=O 420081648 NYALOTDULFQBHF-LBPRGKRZSA-N 324.425 -0.135 30 20 DBED CO[C@H]1CCN(C(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)[C@@H](CN)C1 424551306 VDFMTNSMGGIHSE-LOWDOPEQSA-N 308.382 -0.240 30 20 DBED C#CCN1CCN(C(=O)CN2CCNC(=O)[C@@H]2CC(C)C)CC1 490714877 SGULZPZKNAVXAP-HNNXBMFYSA-N 320.437 -0.390 30 20 DBED C#CCNC(=O)CN1CCN([C@H](C)c2nnnn2C2CC2)CC1 491806991 RZZMSIDHQOLSGQ-GFCCVEGCSA-N 317.397 -0.564 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CCN(C(=O)N(C)C)CC1 558564979 VZANDUYLNAKPMO-UHFFFAOYSA-N 317.415 -0.234 30 20 DBED CN(C)C[C@H](CO)NCCS(=O)(=O)c1ccc(C#N)cc1 564977103 XZURBMISOYAOOB-CYBMUJFWSA-N 311.407 -0.156 30 20 DBED CC(C)n1cc(CNc2c(C#N)c(=O)n(C)c(=O)n2C)nn1 580863218 RETRQWFIMNCLEC-UHFFFAOYSA-N 303.326 -0.260 30 20 DBED CC#CC[C@@H](CO)NC(=O)c1cc(N2CCNC(=O)C2)ccn1 649183333 QKZKGSHJTQXRQQ-LBPRGKRZSA-N 316.361 -0.478 30 20 DBED C=CC[C@H]1CCCN(C(=O)C(=O)NCC(=O)N2CCNCC2)C1 659715960 UDWVTDJKHZITSO-ZDUSSCGKSA-N 322.409 -0.651 30 20 DBED C#C[C@H](NC(=O)NCCNS(=O)(=O)CC)[C@H]1CCCO1 773274971 YZAWLOWHNKMASD-WDEREUQCSA-N 303.384 -0.594 30 20 DBED Cn1nc(Br)cc1C=NNC(=S)NCC(N)=O 782230165 PJTYICNEZAAVMM-UHFFFAOYSA-N 319.188 -0.534 30 20 DBED C[C@@H](OC(=O)CN1C(=O)CN(C)C1=O)C(=O)NC1(C#N)CCC1 787612400 OCAVMOCQBCIKFH-SECBINFHSA-N 322.321 -0.625 30 20 DBED C[C@@H](C#N)OCCN1CCN(C(=O)CN2CCOCC2)CC1 801910115 KYYWMRKHXSGXBG-AWEZNQCLSA-N 310.398 -0.609 30 20 DBED C[C@@H](C#N)OCCN1CCN(C(=O)C(=O)N2CCCC2)CC1 801913883 AXQSMEZKGYIRNG-ZDUSSCGKSA-N 308.382 -0.318 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1)[C@H]1CCCO1 804732430 NVACKGMPDFYTKZ-QLFBSQMISA-N 319.405 -0.116 30 20 DBED Cc1nn(C)cc1C1=NO[C@@H](C(=O)NCC#CCN(C)C)C1 827972236 WRNLWYRDWGOEHO-CQSZACIVSA-N 303.366 -0.097 30 20 DBED C#CCOCCNC(=O)CNS(=O)(=O)c1ccccc1N 832103312 PGHYLIJQLCUSEQ-UHFFFAOYSA-N 311.363 -0.687 30 20 DBED C#Cc1cccc(CNC(=O)C(=O)N2CCO[C@@H]([C@H](C)N)C2)c1 842032941 KDVKDZVVWOPUSB-SWLSCSKDSA-N 315.373 -0.141 30 20 DBED C=C[C@](C)(O)C(=O)NC[C@H]1CN(C(=O)[C@@](C)(O)C=C)CCO1 871460649 BGIASMRCCOKNEC-CQDKDKBSSA-N 312.366 -0.796 30 20 DBED N#Cc1ccc(N2CCN(C(=O)C[C@@H]3CNCCO3)CC2)cn1 877297967 YOQBMMHDDYNMNJ-OAHLLOKOSA-N 315.377 -0.020 30 20 DBED C#CC[C@H](NC(=O)CN1CCCCS1(=O)=O)C(=O)OC 880272456 QWVIYMDTZDKVKB-JTQLQIEISA-N 302.352 -0.907 30 20 DBED N#Cc1nc(NC(=O)CCN2CCCS2(=O)=O)[nH]c1C#N 918321381 YACCPLQMGWSJBT-UHFFFAOYSA-N 308.323 -0.483 30 20 DBED C[C@H](C(=O)OCC(=O)N(C)C(C)(C)C#N)N1C(=O)CCC1=O 919257098 AXSXQFCXUYBFTM-SECBINFHSA-N 309.322 -0.172 30 20 DBED C#CCN1CCC[C@H](NC(=O)C2(n3cnnn3)CCOCC2)C1 923556952 HKHDIYFWFIJWIJ-ZDUSSCGKSA-N 318.381 -0.607 30 20 DBED CN1CCOC[C@@H]1C(=O)N[C@H]1CCN(C(=O)C#CC2CC2)C1 937848199 OECFNIDQCLXQPT-UONOGXRCSA-N 305.378 -0.553 30 20 DBED Cc1cc(C(=O)NC[C@H]2CN(C(=O)[C@@H](C)C#N)CCO2)n(C)n1 944501392 UZOJWRZJAVGJDI-JQWIXIFHSA-N 319.365 -0.155 30 20 DBED N#Cc1ccc(C(=O)NC[C@@H]2CCC[C@@H]2NC(=O)C(N)=O)[nH]1 946291989 LFBHDOPWKMSKNQ-WPRPVWTQSA-N 303.322 -0.614 30 20 DBED C[C@H](C#N)C(=O)N1CCC(NC(=O)[C@]2(C)CCC(=O)N2)CC1 948097250 YUBLVTMPIOXNDB-BMIGLBTASA-N 306.366 -0.078 30 20 DBED C#Cc1cccc(NC(=O)CN2CCN(C(=O)C(N)=O)CC2)c1 949971118 GLVGMESAXQHZFJ-UHFFFAOYSA-N 314.345 -0.764 30 20 DBED O=C(N[C@@H]1CCCN(C(=O)C#CC2CC2)C1)[C@H]1COCCO1 950752379 AISLJKBRPQCXFJ-ZIAGYGMSSA-N 306.362 -0.078 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]1CNC(=O)c1cnc2n1CCOC2 950776627 CMCLLSQZWXJYJO-QWRGUYRKSA-N 317.349 -0.096 30 20 DBED C[C@H]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)C(N)=O 955797302 SIDPKSXCAVDITC-WCBMZHEXSA-N 303.322 -0.519 30 20 DBED N#CCN1C[C@H](CNC(=O)c2cccc3nn[nH]c23)[C@@H](O)C1 958092009 LETGQVOOBGBWQC-CABZTGNLSA-N 300.322 -0.496 30 20 DBED COc1ncnc(OC)c1C(=O)NC[C@@H]1CN(CC#N)C[C@@H]1O 958758878 PTCRYXSTXXMLMV-ZJUUUORDSA-N 321.337 -0.960 30 20 DBED C#CCN1C[C@H]2C(NC(=O)[C@H]3CC(=O)N(c4cn[nH]c4)C3)[C@@H]2C1 959871541 KTSIXPOHHUGCRB-CYZMBNFOSA-N 313.361 -0.558 30 20 DBED C#Cc1ccc(C(=O)NC2[C@@H]3CN(Cc4nc(O)n[nH]4)C[C@@H]23)cn1 962324009 BUAHMDAGDGJECH-VXGBXAGGSA-N 324.344 -0.253 30 20 DBED N#Cc1cc(C(=O)NC[C@H]2CC[C@H](NC(=O)C(N)=O)CC2)c[nH]1 963996156 XYXJEXDQBQEUNP-HOMQSWHASA-N 317.349 -0.224 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2CCCN(C(=O)C(N)=O)CC2)nc1 965050725 WYQARQPOOLJCNV-LBPRGKRZSA-N 314.345 -0.341 30 20 DBED C[C@@H](C#N)C(=O)N1CC(N2CCN(C(=O)c3cnco3)CC2)C1 967228311 LFDLUKBAZJWBHI-NSHDSACASA-N 317.349 -0.197 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cnnn1 968461319 ULQBDATYSWGXEL-MXWKQRLJSA-N 303.326 -0.965 30 20 DBED C#CCN(C)[C@H]1CCN(C(=O)c2ccc(=O)n(CCOC)n2)C1 971899708 VUEIDPPVJWWWFQ-ZDUSSCGKSA-N 318.377 -0.331 30 20 DBED C#CCCN1C[C@H]2CC[C@H]1CN2C(=O)[C@@H]1CN(C(C)=O)CCO1 972070025 MDQUIQKLWYSQEI-XHSDSOJGSA-N 319.405 -0.068 30 20 DBED CC(=O)N1CCO[C@H](C(=O)N[C@H]2CN(CC#N)CC2(C)C)C1 977538336 FWCSTSJTOFCJJT-STQMWFEESA-N 308.382 -0.416 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@H]2CN(C(C)=O)CCO2)C(C)(C)C1 977553136 NHMOPRNMAQQGDX-ZIAGYGMSSA-N 307.394 -0.307 30 20 DBED CN(C[C@@H]1CCN(C(=O)C#CC2CC2)C1)C(=O)[C@H]1CCNC1=O 987990136 FROWSDBCVZFCNK-KBPBESRZSA-N 317.389 -0.157 30 20 DBED N#Cc1cc(C(=O)NC2CN(C(=O)CO[C@H]3CCOC3)C2)c[nH]1 990936446 VNWYKVPVZPKMJG-ZDUSSCGKSA-N 318.333 -0.368 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@H](NC(=O)Cc2nc[nH]n2)[C@H](O)C1 991807205 USMXHGUPDCPINO-WDEREUQCSA-N 321.381 -0.363 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CCCCO2)C1 994749930 FJJZRXXLELXIOB-LSDHHAIUSA-N 319.405 -0.020 30 20 DBED C#CCN[C@H]1CN(C(=O)[C@@H]2CCN(C)S2(=O)=O)CC1(C)C 996403650 XBZLSZJAOUWEAI-RYUDHWBXSA-N 313.423 -0.520 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC(NC(=O)c3csnn3)C2)c1 996592440 NYHDMPDGNPSISQ-UHFFFAOYSA-N 302.319 -0.008 30 20 DBED O=C1CC[C@@H](N[C@H]2CCCN(C(=O)C#CC3CC3)C2)C(=O)N1 999130575 WPGABSBXOHLVKK-QWHCGFSZSA-N 303.362 -0.214 30 20 DBED N#Cc1cc(C(=O)NCC2CN(C(=O)[C@H]3CCC(=O)N3)C2)c[nH]1 1001494057 NZOPPNSNBFJZGP-GFCCVEGCSA-N 315.333 -0.647 30 20 DBED C[C@@H](C#N)C(=O)N1CCCC2(C1)CN(C(=O)[C@@H]1COC(=O)N1)C2 1010637324 SWLYRHUSJZVBLT-QWRGUYRKSA-N 320.349 -0.295 30 20 DBED NC(=O)[C@H]1CC[C@H]1C(=O)N1CCN(C(=O)C#CC2CC2)CC1 1011107253 CGFCXGATYKAUNG-QWHCGFSZSA-N 303.362 -0.418 30 20 DBED C[C@@H](C#N)C(=O)N1CCCO[C@@H](CNC(=O)c2ncc[nH]2)C1 1019585225 SYOBRAXVUWSKBR-QWRGUYRKSA-N 305.338 -0.083 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H](NCc2n[nH]c(C)n2)C1 1020250991 ZDZPRSHEDGUJHU-IHRRRGAJSA-N 316.409 -0.052 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)C(N)=O)[C@@H]2C1 1022559010 SYHNYANYGXZBMW-LOWDOPEQSA-N 321.377 -0.488 30 20 DBED CC(=O)N1CCOC[C@@H]1C(=O)NC[C@@H]1CCCN(CC#N)C1 1023757521 IRZRYLXALRFJFO-UONOGXRCSA-N 308.382 -0.415 30 20 DBED C#CCN1CC[C@H](CNC(=O)c2ccc(=O)n(CCOC)n2)C1 1028676353 NATIOQWMWSJZLW-CYBMUJFWSA-N 318.377 -0.425 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)c3[nH]c(O)nc3C)C2)C1=O 1030486535 AOXJPGJJGPDDJJ-NSHDSACASA-N 319.365 -0.375 30 20 DBED C=C(C)CN1CC(NC(=O)c2cn(CC(=O)N(C)C)nn2)C1 1031438630 NABUUKBCMFGGQM-UHFFFAOYSA-N 306.370 -0.644 30 20 DBED Cn1[nH]c(CN2CC(CNC(=O)c3ccc(C#N)[nH]3)C2)nc1=O 1031619356 VBZIQBMKYCKMFR-UHFFFAOYSA-N 315.337 -0.830 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCC1CN([C@H](C)c2nnnn2C)C1 1031987141 VELMQQANTXJLAK-RTXFEEFZSA-N 320.397 -0.090 30 20 DBED CC#CCN1CC[C@H](N(C)C(=O)[C@@H]2CN(C(C)=O)CCO2)C1 1033629769 DNHHXRZYJABKBD-GJZGRUSLSA-N 307.394 -0.210 30 20 DBED C#CCN[C@H]1CC[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)CC1 1034752034 NSSOXLALUJRTPX-HAQNSBGRSA-N 318.377 -0.652 30 20 DBED N#CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)Cn1nnc2c1CCCC2 1037590960 MWHNTWYIJACGHM-DGFSRKRXSA-N 300.366 -0.131 30 20 DBED C[C@@H](c1nnnn1C)N1CC[C@H]1CNC(=O)c1cc(C#N)c[nH]1 1038139507 KEBVHISRYSYIMB-ONGXEEELSA-N 314.353 -0.025 30 20 DBED N#Cc1cc(C(=O)NC[C@@H]2CCN2[C@H]2CCCNC2=O)c[nH]1 1038173673 CCRGROSKWLXHLU-STQMWFEESA-N 301.350 -0.031 30 20 DBED CC#CCN1CC[C@@H]1CNC(=O)C1CC2(C1)NC(=O)NC2=O 1038804732 RXGHRWGVGYPGRX-LOIXOFCESA-N 304.350 -0.812 30 20 DBED CC(C)C#CC(=O)NC[C@@]1(O)CCN(C(=O)c2cncn2C)C1 1039667947 KOFIBUBWLVGKBJ-INIZCTEOSA-N 318.377 -0.227 30 20 DBED O=C(NC[C@@]1(O)CCN(C(=O)C#CC2CC2)C1)c1cnco1 1040385976 DVVYIHCDVLIBAX-HNNXBMFYSA-N 303.318 -0.219 30 20 DBED C=CCCC(=O)N1CC[C@@](O)(CNC(=O)[C@H]2CCN(C)C2=O)C1 1040614048 UYCXUZVZVWSHBC-MLGOLLRUSA-N 323.393 -0.490 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)c3cnccn3)C2)nc1 1040917910 YKQVHNVVQFWLBL-CHWSQXEVSA-N 310.317 -0.277 30 20 DBED C#CCNC(=O)CC(=O)N1CC(O)(CNC(=O)C2CCCC2)C1 1041112958 RRISMGXAOIPVKH-UHFFFAOYSA-N 321.377 -0.994 30 20 DBED C#Cc1ccc(C(=O)N2CC(O)(CNC(=O)COCC)C2)nc1 1041307718 WYPKQQCJAUWBPS-UHFFFAOYSA-N 317.345 -0.598 30 20 DBED N#Cc1nccnc1NC[C@@H]1CN(C(=O)CC(N)=O)CCCO1 1041486046 DQDKAFZVGCPEJI-SNVBAGLBSA-N 318.337 -0.747 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)COCCOC)C1 1042130517 LTNRACMLBPODSR-UHFFFAOYSA-N 314.382 -0.449 30 20 DBED CC#CCCCC(=O)N1CC(O)(CNC(=O)c2cn(C)cn2)C1 1042554118 HQHQZMSEDBLLQU-UHFFFAOYSA-N 318.377 -0.083 30 20 DBED CO[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1NC(=O)c1cn[nH]c1 1042757965 XZPMCCLNYSQWPW-VXGBXAGGSA-N 313.321 -0.295 30 20 DBED O=C(C#CC1CC1)NCC1(O)CN(C(=O)Cc2cncnc2)C1 1042958127 FMBSUAOUYAHLEO-UHFFFAOYSA-N 314.345 -0.878 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)c2nn(C)cc2C)C1 1042984530 ZFDQHNSWICLTRI-UHFFFAOYSA-N 322.365 -0.766 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)[C@H]2CCC2(F)F)C1 1043592189 ROBMNGKTHODWSL-SNVBAGLBSA-N 318.320 -0.076 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)[C@@]34COC[C@@H]3C4)C2)nc1 1044696921 JRUMZRDSKDIXPZ-ZWUHOBOKSA-N 314.345 -0.345 30 20 DBED C=CCCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)[C@H](C)C#N)C1 1045541633 ZQWDSGAKIXJGLM-NEPJUHHUSA-N 309.366 -0.183 30 20 DBED C[C@@]1(NC(=O)c2coc(S(N)(=O)=O)c2)CCN(CC#N)C1 1046427008 STHILZBWQPLDRE-GFCCVEGCSA-N 312.351 -0.355 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cn(CCOC)nn2)C1 1047378971 UHOQNRKNSVEPIU-KBPBESRZSA-N 321.381 -0.935 30 20 DBED CN(C(=O)c1cc2n(n1)CCCC2)[C@H]1CN(CC#N)C[C@@H]1O 1047420299 HKPBDHFYJRRIQS-KBPBESRZSA-N 303.366 -0.140 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC(=O)N(C)C2)C1 1047640775 FTRCNXAHGHFNKO-RDBSUJKOSA-N 307.394 -0.618 30 20 DBED CC#CCN1C[C@H]2CN(C(=O)[C@H](C)N3C(=O)CCC3=O)C[C@H]2C1 1048847894 KQNIUYUGUYRFAO-MELADBBJSA-N 317.389 -0.063 30 20 DBED N#CCN1C[C@H]2CN(C(=O)[C@@H]3CCCN(C(N)=O)C3)C[C@H]2C1 1048924355 AYUYXVFSFNUSCC-UPJWGTAASA-N 305.382 -0.309 30 20 DBED C[C@@H]1[C@@H](NC(=O)[C@H]2COC(=O)N2)CCN1c1cnc(C#N)cn1 1050215627 WAXAAKKZUASRNG-DVVUODLYSA-N 316.321 -0.460 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)c1cn(C)c(=O)n1C)C2 1050768159 OXSSWENCEUDGEK-UHFFFAOYSA-N 302.378 -0.105 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)c1cn(C)nc1COC 1050990223 AMLWIVNBXOKROD-LBPRGKRZSA-N 306.366 -0.370 30 20 DBED C#CCOCCC(=O)N1C[C@H](C)[C@H](CNC(=O)c2nc[nH]n2)C1 1052599864 QDRHQAFSNQNMJS-NWDGAFQWSA-N 319.365 -0.331 30 20 DBED C=CCCN1CC2(C1)CN(C(=O)[C@H](C)S(C)(=O)=O)CCO2 1053310114 WWBZETYLHLXMST-LBPRGKRZSA-N 316.423 -0.091 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)[C@@H](OC)[C@@H]1CCOC1)CCO2 1053357570 WTTMWQOIZGYRRY-CABCVRRESA-N 322.405 -0.026 30 20 DBED C#CCN1CC2(CC[C@H](CNC(=O)[C@H]3C[C@H]3C(=O)N(C)C)O2)C1 1053660345 KDRDOWUQQFSWTC-HZSPNIEDSA-N 319.405 -0.307 30 20 DBED C#CCOCCC(=O)NC[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(N)=O 1053816520 RXWQWGULOGAUMW-CLLJXQQHSA-N 321.377 -0.603 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)[C@]3(C)CCNC(=O)C3)CO2)C1 1053843066 DKMAVJHNKGRKSV-SWLSCSKDSA-N 305.378 -0.505 30 20 DBED Cc1cn2nc(C(=O)N3C[C@H](C)[C@H](NCC#N)C3)cc2c(=O)[nH]1 1054929960 IVCKERXLEOEWCX-JOYOIKCWSA-N 314.349 -0.095 30 20 DBED C#CCC1(C(=O)N2C[C@@H]3CN(C(=O)CC(N)=O)C[C@@H]3C2)CCC1 1055264073 DINXZDLMBXKTKI-BETUJISGSA-N 317.389 -0.028 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@@H]2CN(C(=O)c3nc[nH]n3)C[C@@H]2C1 1055338680 YXMCEQFSQZUJTF-UTUOFQBUSA-N 317.349 -0.627 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)C(N)=O 1056537414 JZNUYXFAEITWFQ-RWSFTLGLSA-N 309.366 -0.609 30 20 DBED C[C@H](C(=O)N1CC[C@@H](N=c2cc[nH]c(C#N)n2)C1)n1cncn1 1056608941 AOLZUCKRCDYUAL-GHMZBOCLSA-N 312.337 -0.364 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CCCN(C(=O)CCNC(N)=O)[C@@H]2C1 1056665374 TVHJLLJMAQSKQU-SDDRHHMPSA-N 321.381 -0.346 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)COCC(F)F 1057198884 BMQPWMKGZXEOJX-UHFFFAOYSA-N 324.324 -0.592 30 20 DBED Cc1nnc(CC(=O)N(CCO)CCNC(=O)C#CC(C)C)o1 1057495910 WKXRLXZYSNCIJI-UHFFFAOYSA-N 322.365 -0.483 30 20 DBED N#Cc1ccc(N2CCC(NC(=O)[C@H]3CNC(=O)N3)CC2)nc1 1057935849 QOJZCUDLICSUCW-GFCCVEGCSA-N 314.349 -0.280 30 20 DBED CN1CCO[C@H](C(=O)N[C@H]2C[C@@H](N=c3cc[nH]c(C#N)n3)C2)C1 1059587167 JGXGVBDGFVOPJF-TUAOUCFPSA-N 316.365 -0.840 30 20 DBED CC(C)C#CC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1COC(=O)N1 1061546102 LHTRWFYYVHDKJV-RYUDHWBXSA-N 323.349 -0.902 30 20 DBED NC(=O)CCCC(=O)NC[C@@H]1COCCN1C(=O)C#CC1CC1 1061684103 MAKLGVSUZGMQTG-CYBMUJFWSA-N 321.377 -0.601 30 20 DBED Cn1nnc(C(=O)N2C[C@@H]3CC[C@H](C2)N3c2ccc(C#N)cn2)n1 1062015180 HSYKMUXDGAJBKY-TXEJJXNPSA-N 324.348 -0.030 30 20 DBED Cn1ncc(C(=O)N2C[C@@H]3C[C@H]2CN3c2cnc(C#N)cn2)n1 1062508465 HBLCUZLDPTZFRA-QWRGUYRKSA-N 310.321 -0.420 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)[C@H]2CCCC(=O)N2)CCC1 1063386513 OBDDPSMKHRQIQL-GHMZBOCLSA-N 306.366 -0.030 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)CCS(C)(=O)=O)CCC1 1064309750 AVFRVQXFCNWVIW-JTQLQIEISA-N 315.395 -0.264 30 20 DBED C=CCCC(=O)N1CCO[C@H](CNC(=O)[C@@H]2CC(=O)N(C)C2)C1 1064957191 DABDRCIJOJFAFQ-CHWSQXEVSA-N 323.393 -0.226 30 20 DBED C=CCCC(=O)N1CCO[C@@H](CNC(=O)C(=O)NCC2CC2)C1 1064957422 JFIGXNIEOZRRGV-ZDUSSCGKSA-N 323.393 -0.178 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)CCCC(N)=O)CCO1 1065305294 FYVKCVYQTUKXPG-CYBMUJFWSA-N 323.393 -0.211 30 20 DBED C#CCCCCCC(=O)N1CCO[C@@H](CNC(=O)C(N)=O)C1 1065431823 VXPNBJIQQJBCBA-LBPRGKRZSA-N 309.366 -0.601 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)C(=O)NCC2CC2)C1 1065555840 ALTFOFJVBSILFF-JQWIXIFHSA-N 322.365 -0.984 30 20 DBED N#Cc1cnccc1N1C[C@@H](O)[C@@H](CNC(=O)c2cncnc2)C1 1067665273 LWCRIQGQMOTABT-DZGCQCFKSA-N 324.344 -0.030 30 20 DBED C#CCO[C@@H](C)C(=O)NC1(CC)CCN(C(=O)C(N)=O)CC1 1069575449 WNOXDMRWTURNMV-NSHDSACASA-N 309.366 -0.603 30 20 DBED CC#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2n[nH]cc2C)C1 1069924079 ZOHNIOQBEMVQAJ-OLZOCXBDSA-N 313.365 -0.012 30 20 DBED Cc1ccn(CC(=O)N[C@@H]2CN(CC#N)C[C@@H]2n2ccnn2)n1 1070027556 MSNWPNJINOCXCB-OLZOCXBDSA-N 314.353 -0.652 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)CCN(C)C)CCOCC1 1070232291 GLQIPYAWTBGQCJ-GFCCVEGCSA-N 310.398 -0.121 30 20 DBED C=CCCN1CCNC(=O)CCN(C(=O)c2[nH]nnc2C)CC1 1070985345 LMTQYEGWVKLULK-UHFFFAOYSA-N 320.397 -0.047 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)[C@H](CC)N(C)C)CC1 1071000341 YMCXXWTYDNGUJW-AWEZNQCLSA-N 308.426 -0.390 30 20 DBED C=CCOCC(=O)N[C@@H]1CCCN(C(=O)C2(C(N)=O)CC2)C1 1071214781 BZGRPZXECDFHNX-LLVKDONJSA-N 309.366 -0.438 30 20 DBED C=CCN1C[C@H](NC(=O)Cn2cnc(C(N)=O)n2)CC[C@H]1C 1071516747 BGALGCZZGVTNRX-GHMZBOCLSA-N 306.370 -0.468 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)CCc2cnn[nH]2)C[C@@H]1C 1072764367 MUVFXPOIQKARNT-WCQYABFASA-N 321.381 -0.097 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@H](NC(=O)CC(N)=O)C(C)(C)C1 1073355580 QBKYEASWIOGCNT-NEPJUHHUSA-N 323.393 -0.357 30 20 DBED C=C(C)CN1CCO[C@H]2CCN(C(=O)CCn3cnnn3)C[C@H]21 1074368947 NUUKYUBWEDBYRV-KGLIPLIRSA-N 320.397 -0.059 30 20 DBED CCN(CC)CC(=O)N1CCC(O)(CNC(=O)[C@H](C)C#N)CC1 1074596421 TWFRIBQXUIKQEA-CYBMUJFWSA-N 324.425 -0.042 30 20 DBED CCN(C)CCC(=O)NCC1(O)CCN(C(=O)[C@H](C)C#N)CC1 1074704781 IERHIPXCCHNLKH-CYBMUJFWSA-N 324.425 -0.042 30 20 DBED CC#CCN1C[C@@H]2CCN(C(=O)c3cn(C)c(=O)cn3)[C@@H]2C1 1076063851 HVFFFVZNYBXBCL-GXTWGEPZSA-N 300.362 -0.050 30 20 DBED C[C@@H](CCNC(=O)C#CC1CC1)NC(=O)[C@]1(C)CCNC1=O 1076428672 GDUZMUVUSFAFQM-MEDUHNTESA-N 305.378 -0.063 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)c2cc(=O)n(C)o2)C1 1076931613 QFQWAZTWMNOANX-RKDXNWHRSA-N 301.730 -0.494 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2cn(-c3ccccc3)nn2)C1 1077290229 ACCPPQMLXSNQOD-UKRRQHHQSA-N 311.345 -0.325 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2COc3ccccc3C2)C1 1077342159 ZUVCQJBQKIHDAZ-MGPQQGTHSA-N 301.346 -0.077 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)c2cnc3c(cnn3C)c2)C1 1077901701 AWNFGVNCUBWVHV-ZIAGYGMSSA-N 313.361 -0.234 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2ccnc(-n3cncn3)c2)C1 1078272018 COKSEDQFMXLKAN-CHWSQXEVSA-N 312.333 -0.930 30 20 DBED O=C1NCCC[C@@H]1NC[C@H]1CN(C(=O)C#CC2CC2)CCCO1 1078398919 VDVANMJDWDWBLD-GJZGRUSLSA-N 319.405 -0.115 30 20 DBED C#CCNC(=O)CC(=O)N1CC(N(CC)C(=O)c2ccon2)C1 1079389558 GRCRBZNABVNTCS-UHFFFAOYSA-N 318.333 -0.513 30 20 DBED CCN(C(=O)C#CC1CC1)C1CN(C(=O)[C@@H]2CCC(=O)N2)C1 1079737123 XDNYEKCCUMUKIA-ZDUSSCGKSA-N 303.362 -0.262 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@H](CNC(=O)CCn2cncn2)C1 1081267455 JPRMBQZWCYEWBD-OLZOCXBDSA-N 321.381 -0.430 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)c2cncnc2)C[C@H]1O 1081335787 PKQGHYGKCUVXOH-CHWSQXEVSA-N 304.350 -0.008 30 20 DBED C=CCCOCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cnco2)C1 1081623417 KZCCOOISDRBWQZ-NWDGAFQWSA-N 323.349 -0.184 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@H](CNC(=O)Cc2ncc[nH]2)C1 1081692625 JJZYLAXZKLZJQA-NEPJUHHUSA-N 306.366 -0.146 30 20 DBED C#CCCN1C[C@@H](NC(=O)[C@@]2(C)CCNC(=O)C2)[C@H](OC)C1 1081849462 VKTMKXANEZPNCE-IOASZLSFSA-N 307.394 -0.259 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)Cc2nnn(C(C)(C)C)n2)C1 1083486069 FVOGBQJMNFLOEI-NEPJUHHUSA-N 322.413 -0.292 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2cc(O)nc3ncn(C)c23)C1 1083516509 IXRRFWNWGMBGRQ-MNOVXSKESA-N 315.333 -0.918 30 20 DBED CN(C[C@H]1CCN1CC#N)C(=O)c1cn([C@H]2CCOC2)nn1 1085916157 SLCGMYBOYPMQFF-NEPJUHHUSA-N 304.354 -0.091 30 20 DBED C#CCN1CCC(C(=O)NC[C@H]2C[C@@H](N[C@H](C)C(N)=O)C2)CC1 1086278030 DSZYNXJDBWTGFI-NFAWXSAZSA-N 320.437 -0.310 30 20 DBED CC[C@@H]1[C@@H](NC(=O)[C@H]2COCCN2C(C)=O)CCN1CC#N 1087834700 QRRWLMXPRUAZMR-BFHYXJOUSA-N 308.382 -0.274 30 20 DBED C=C(C)CCN1CC[C@H](NC(=O)CN2CCOCC2)[C@@H](O)C1 1090204104 MTUJIBRJLABMCV-GJZGRUSLSA-N 311.426 -0.164 30 20 DBED CC#CCN1CC[C@@H](NC(=O)Cn2ccc(C)cc2=O)[C@H](O)C1 1090611164 ZIVQUQRMIWIWGU-HUUCEWRRSA-N 317.389 -0.269 30 20 DBED C=CCCN1CC[C@@H](NC(=O)C2CC(=O)NC(=O)C2)[C@H](O)C1 1090636695 BWOJYYUTDFQFJZ-VXGBXAGGSA-N 309.366 -0.833 30 20 DBED Cc1nc(C)c(CC(=O)N[C@@H]2CCN(CC#N)C[C@H]2O)c(O)n1 1090804382 IAAOBIOYQYWGPC-CHWSQXEVSA-N 319.365 -0.583 30 20 DBED CC[C@@H](C(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@@H]1O)N(C)C 1091123603 ZNNMBKKJYFFCFT-IPYPFGDCSA-N 317.393 -0.041 30 20 DBED CCN(C)CCC(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1091136476 XYTCCKZGRFTTKX-OLZOCXBDSA-N 318.381 -0.644 30 20 DBED C[C@@H](CC(N)=O)C(=O)N[C@H]1CCN(c2nccnc2C#N)[C@@H]1C 1092034194 VKRSXXOSQSDIHB-AXFHLTTASA-N 316.365 -0.057 30 20 DBED C#CCOCCC(=O)N[C@H]1CCN(c2ccnc(C)n2)C[C@H]1O 1092160943 BCMRPYYMWKPJGY-UONOGXRCSA-N 318.377 -0.119 30 20 DBED N#Cc1cncc(NC2CC(CNC(=O)Cn3cncn3)C2)n1 1092219591 TXKHWNYAFQOGBU-UHFFFAOYSA-N 312.337 -0.053 30 20 DBED C[C@@]1(CNC(=O)CC(N)=O)CN(c2ncccc2C#N)CCO1 1092735881 NQXIIROISGSNGH-OAHLLOKOSA-N 317.349 -0.460 30 20 DBED CNS(=O)(=O)CC(=O)NCCNc1snc(C)c1C#N 1093660857 HVQFRVCJIKAJOF-UHFFFAOYSA-N 317.396 -0.600 30 20 DBED CN1C[C@@H](C(=O)NCCNc2cncc(C#N)n2)CCC1=O 1093679949 INWHTFJPPOCPOK-JTQLQIEISA-N 302.338 -0.255 30 20 DBED C=CCO[C@@H](C)C(=O)NCCNc1ncnc2c1nnn2C 1093693158 KQPQUPXAKJQMCC-VIFPVBQESA-N 305.342 -0.123 30 20 DBED N#Cc1cccnc1NCCNC(=O)Cn1c(O)nnc1O 1093779916 ZHLQQXIGIOSGLU-UHFFFAOYSA-N 303.282 -0.816 30 20 DBED N#Cc1nc(=NCCNC(=O)[C@H]2CCCc3nn[nH]c32)cc[nH]1 1094092480 ANFQVMVNHUGFKS-VIFPVBQESA-N 312.337 -0.464 30 20 DBED Cn1cc(C(=O)N2C[C@H]3C[C@H](NCC#N)C[C@H]2C3)c(O)nc1=O 1095053401 BHKDKQGWVZGZKN-GARJFASQSA-N 317.349 -0.408 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](N(C)c2cc(F)ncn2)C1 1095111396 SELBUASZGSXBIJ-LLVKDONJSA-N 319.340 -0.208 30 20 DBED CNC(=O)CCCC(=O)N[C@@H]1CCN(c2nccnc2C#N)C1 1096363348 UUVSKOGBXZUBGW-LLVKDONJSA-N 316.365 -0.041 30 20 DBED CNC(=O)NCCC(=O)N[C@@H]1CCN(c2cnc(C#N)cn2)C1 1096365890 BIJJLMLTZGYJAL-SNVBAGLBSA-N 317.353 -0.638 30 20 DBED C[C@@H](CNC(=O)C1CS(=O)(=O)C1)N=c1cc[nH]cc1C#N 1098071323 TXISIAGHKPZVMU-VIFPVBQESA-N 308.363 -0.664 30 20 DBED C#CCN1C[C@H](NC(=O)[C@H](C)NC(N)=O)CC2(CCOCC2)C1 1099576461 FMDYKPBGFNAJMR-QWHCGFSZSA-N 322.409 -0.336 30 20 DBED C[C@H](CCNC(=O)[C@@H]1CCNC1=O)Nc1nccnc1C#N 1099617418 UWOPSIPUADNKDS-ZJUUUORDSA-N 302.338 -0.209 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)CCc2nc[nH]n2)[C@H](O)C1 1099764486 WQGNLSZBDVTLFO-CHWSQXEVSA-N 323.397 -0.509 30 20 DBED C=CCN1CC[C@H](NC(=O)CNC(=O)N2CCCC2)[C@@H](O)C1 1099828955 BDMYPYIAGPKNEU-STQMWFEESA-N 310.398 -0.471 30 20 DBED CCc1nc(C#N)cc(N(C)CCNC(=O)CN(C)C(C)=O)n1 1099938845 JOBBQUVPYWDJQX-UHFFFAOYSA-N 318.381 -0.059 30 20 DBED CN(CCNC(=O)c1cn(C)c(=O)n1C)c1nccnc1C#N 1100153288 FLAWASBZNUEIDQ-UHFFFAOYSA-N 315.337 -0.748 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)c2ccc(C#N)[nH]2)C1 1100246105 RNVAIEQCJVZASN-UHFFFAOYSA-N 313.361 -0.266 30 20 DBED CCN(CCNC(=O)C1CS(=O)(=O)C1)c1ccc(C#N)nc1 1100623717 BNOJWBQDTKEFQJ-UHFFFAOYSA-N 322.390 -0.060 30 20 DBED CCN(CCNC(=O)[C@]1(C)CNC(=O)C1)c1cncc(C#N)n1 1100671000 MRZDPXCHTDSPIT-HNNXBMFYSA-N 316.365 -0.183 30 20 DBED CCN(CCNC(=O)[C@@H]1CCN(C)C1=O)c1cncc(C#N)n1 1100681989 OZTSMONCVRAHAA-LBPRGKRZSA-N 316.365 -0.231 30 20 DBED C=CCCOCC(=O)N(C)CCNc1nccn2nnnc12 1101667420 CRVVMQSBDPPDLV-UHFFFAOYSA-N 305.342 -0.018 30 20 DBED CNC(=O)NCC(=O)N(C)[C@H]1CCN(c2ccncc2C#N)C1 1102766675 HBHBBLCZBHSYDJ-LBPRGKRZSA-N 316.365 -0.081 30 20 DBED COCC#CCN1C[C@@H](C)[C@H](CCNC(=O)[C@H](C)NC(N)=O)C1 1102904930 BNBQKBWATGOGMF-HZSPNIEDSA-N 324.425 -0.233 30 20 DBED C[C@@H](CNc1ccc(C#N)cn1)N(C)C(=O)Cn1ncnn1 1104689604 XNKVKUOGNYXYBL-JTQLQIEISA-N 300.326 -0.101 30 20 DBED CC#CCNCC[C@@H]1CN(C(=O)Cn2c(O)nnc2O)C[C@H]1C 1104954560 IFUJMBQLSAAUKM-VXGBXAGGSA-N 321.381 -0.213 30 20 DBED CN(CCN(C)c1ccc(C#N)nc1)C(=O)Cn1ncnn1 1105472869 IWILNCLBVIPKDF-UHFFFAOYSA-N 300.326 -0.465 30 20 DBED CC(=O)N[C@@H](C)C(=O)N1CCC(OC2CN(CC#N)C2)CC1 1105685003 PHEJPWCJWCAQQL-NSHDSACASA-N 308.382 -0.274 30 20 DBED CN1CCC[C@H]1C(=O)NC[C@H](O)CNc1ncccc1C#N 1105756489 VKISWKOQWWZUSU-OLZOCXBDSA-N 303.366 -0.064 30 20 DBED Cc1noc2ncnc(NC[C@H](O)CNC(=O)[C@H](C)C#N)c12 1105773487 IKOJJYHDVSSGDJ-APPZFPTMSA-N 304.310 -0.025 30 20 DBED C=CCNC(=O)CNC[C@@H]1CN(C(=O)CNC(=O)CC)C[C@H]1C 1105945066 JUXZTPHJHUQCEP-CHWSQXEVSA-N 324.425 -0.501 30 20 DBED C[C@@H]1CCO[C@@H]1C(=O)NC[C@@H](O)CNc1nccnc1C#N 1106121570 CFKKGUWDQQKDLF-SCVCMEIPSA-N 305.338 -0.338 30 20 DBED CCN(CCNc1cncc(C#N)n1)C(=O)Cn1cnnc1O 1106731747 FJJDBJNXLVKVJQ-UHFFFAOYSA-N 316.325 -0.394 30 20 DBED N#Cc1cncc(NC/C=C\CNC(=O)[C@H]2CCNC(=O)C2)n1 1107122825 YRXQFSQXJAKNKQ-BVBSBALXSA-N 314.349 -0.041 30 20 DBED C=CCO[C@H](C)C(=O)NCc1cn(C2CN(C[C@H](C)O)C2)nn1 1107240734 GZNMAONYKLHMAJ-NWDGAFQWSA-N 323.397 -0.277 30 20 DBED C=CCCC(=O)NC[C@@]1(C)CN(Cc2nnn(C)n2)CCO1 1107801816 BQPWBEYWJMZSRX-AWEZNQCLSA-N 308.386 -0.117 30 20 DBED CC#CCN1CCO[C@](C)(CNC(=O)[C@@H]2CN(C)CCO2)C1 1107839652 RORGVJXRJDLCJE-GOEBONIOSA-N 309.410 -0.453 30 20 DBED C[C@H](CNc1nccnc1C#N)NC(=O)[C@@]1(C)CCNC1=O 1108105765 QYJSIHGGFNTUPN-OTYXRUKQSA-N 302.338 -0.209 30 20 DBED CN1CCC(OCC(=O)NC[C@]2(C)CN(CC#N)CCO2)CC1 1108310968 UYYODLLPQABBBI-MRXNPFEDSA-N 324.425 -0.172 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H]1CCNC1=O 1109596221 JKUXVNZKPQGNBR-RFGFWPKPSA-N 305.378 -0.506 30 20 DBED N#Cc1nccnc1N1C[C@H]2C[C@H]1[C@H]2NC(=O)CCNC(N)=O 1109709168 WLYSLPXMSCSPEH-QRTLGDNMSA-N 315.337 -0.900 30 20 DBED Cc1n[nH]cc1C(=O)N(CCO)CCNc1nccnc1C#N 1111533442 FGGYKEWZVBXJHW-UHFFFAOYSA-N 315.337 -0.074 30 20 DBED C=CCOCC(=O)N1CCN(C[C@@H](O)COCCOC)CC1 1112708645 RCLDYZJKKQSPJI-CQSZACIVSA-N 316.398 -0.643 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)c2cnn(C)n2)CC1 1113428964 CAGXIOQFWZJRSO-LLVKDONJSA-N 306.370 -0.736 30 20 DBED Cc1ccc(C#N)c(N(C)[C@H](C)CNC(=O)Cn2cnnn2)n1 1113487656 QTAHAJJDNFICJD-LLVKDONJSA-N 314.353 -0.111 30 20 DBED N#CCSCC(=O)NC1[C@H]2CN(CCNC(=O)C3CC3)C[C@H]12 1113899482 NPDQZSINCCHBRZ-RYUDHWBXSA-N 322.434 -0.184 30 20 DBED CC(=O)NCC(=O)NCCOCCN(C)c1cnc(C#N)cn1 1115161129 XQKDAJUYGXGFLW-UHFFFAOYSA-N 320.353 -0.947 30 20 DBED CC#CCN1C[C@H]2C(NC(=O)CCNC(=O)[C@H]3CCCO3)[C@@H]2C1 1115350920 WWGRNALUOVMGCB-MGPQQGTHSA-N 319.405 -0.259 30 20 DBED C=CCS(=O)(=O)NC(=O)Cc1c(C)[nH]c2ccnn2c1=O 1116458248 BRXYGROIRUTXDY-UHFFFAOYSA-N 310.335 -0.494 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CCC[C@H](CNC(N)=O)C1 1117543632 HBNWUTKCVVZZLJ-GHMZBOCLSA-N 312.370 -0.790 30 20 DBED C=CCn1cc(CNC(=O)C(=O)NCCCC(=O)OC)nn1 1118170395 WJZCSUDBUUXSHV-UHFFFAOYSA-N 309.326 -0.850 30 20 DBED Cn1cccc1C(=O)NC[C@@H](CO)Nc1ccc(C#N)nn1 1121068517 ZGXAODWEKQLFLW-NSHDSACASA-N 300.322 -0.110 30 20 DBED CCNC(=O)CC(=O)NC[C@H](CO)Nc1ccc(C#N)c(C)n1 1121463049 DRXCDDHDTIAGOF-GFCCVEGCSA-N 319.365 -0.323 30 20 DBED Cc1cc(=N[C@H](CO)CNC(=O)[C@@]2(C)CCOC2)c(C#N)c[nH]1 1121914323 MAKFLLAXWOEBLR-BBRMVZONSA-N 318.377 -0.001 30 20 DBED C[C@@H]1CCN(CC(=O)NC[C@H](CO)Nc2nccnc2C#N)C1 1122527514 OYSIHFWEZWKWJW-VXGBXAGGSA-N 318.381 -0.421 30 20 DBED CC1(C)NC(=O)N(CCCNC(=O)N2CCO[C@H](C#N)C2)C1=O 1123642673 PILSCHRUGOBAPE-SNVBAGLBSA-N 323.353 -0.359 30 20 DBED Cc1nsc(NC[C@H](O)CN(C)C(=O)CC(N)=O)c1C#N 1124199779 CTCMLHHZUJIKJI-QMMMGPOBSA-N 311.367 -0.570 30 20 DBED CN(C[C@H](O)CN(C)c1cncc(C#N)n1)C(=O)[C@H]1CCOC1 1124993663 CVKFUUGKYFVJPJ-WCQYABFASA-N 319.365 -0.360 30 20 DBED Cc1ccc(C#N)c(N(C)C[C@@H](O)CN(C)C(=O)CC(N)=O)n1 1125024148 MFGQEQGJHYQMJC-LBPRGKRZSA-N 319.365 -0.607 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@H](C)NC(=O)c1ccoc1 1127999575 QSSGHTNGEMBZTC-NSHDSACASA-N 322.365 -0.594 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1nn(C)cc1Cl 1128103757 CSZIRHTYDPCWFZ-SECBINFHSA-N 311.773 -0.469 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)CCCNC(=O)C1CC1 1128701904 QJQHIIQALXSYFD-GFCCVEGCSA-N 322.409 -0.864 30 20 DBED CCC(=O)NCc1c[nH]nc1[C@H]1CCN(CC(=O)NCC#N)C1 1130329673 YHXPSZOIXZYHBY-NSHDSACASA-N 318.381 -0.135 30 20 DBED CCCCOCC(=O)N1CCC(=O)NCCN(CC#N)CC1 1131339874 UTMFNIFFMZHXJV-UHFFFAOYSA-N 310.398 -0.023 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)c2cc(C(N)=O)co2)C1=O 1133711936 CHDRDRWESIGTNN-LLVKDONJSA-N 320.349 -0.515 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)C[C@@H](C)NCCn1cncn1 1134129951 ABZJMENXCHQLHZ-OLZOCXBDSA-N 320.397 -0.710 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)CCn1ccnn1 1134194364 SEBXPEXGCZCMOO-QWHCGFSZSA-N 320.397 -0.710 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CN(CCS(C)(=O)=O)CCCO1 1149409840 VTZXWSGPLNSNKE-VXGBXAGGSA-N 317.411 -0.602 30 20 DBED CO[C@H](C(=O)NC[C@H]1CN(CC#N)CCCO1)c1cnn(C)c1 1150036188 NINXSZLKBFKVAX-KBPBESRZSA-N 321.381 -0.162 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1nn(CC)nc1C 1153756752 RGBPEXGCCLTFRK-NSHDSACASA-N 306.370 -0.936 30 20 DBED C#CCNC(=O)CC(=O)NCCCNCC(=O)NC1CCCC1 1156857633 YUSYQAZPTALAIR-UHFFFAOYSA-N 322.409 -0.719 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)C1CCC(O)CC1 1157286445 NVFOPKCRFFCKNN-HSBZDZAISA-N 309.410 -0.229 30 20 DBED N#CCNC(=O)CNCCCNC(=O)C12CCCN(CCC1)C2 1160825958 CTWGQCJYWAYVAM-UHFFFAOYSA-N 321.425 -0.402 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)Cc1cn(CC)nn1 1163000486 RLWKKJNGKZOKIR-GFCCVEGCSA-N 322.413 -0.373 30 20 DBED C#CCOCCC(=O)NCCC1(CNCc2nc(O)n[nH]2)CC1 1164504588 DKMOPRMSOLFHKG-UHFFFAOYSA-N 321.381 -0.074 30 20 DBED Cn1cc(C(C)(C)C(=O)NCCCNCC(=O)NCC#N)cn1 1169782442 ZRGKIVUTIKFKGD-UHFFFAOYSA-N 320.397 -0.567 30 20 DBED COCC#CCNCCCNC(=O)c1cn([C@H]2CCOC2)nn1 1170500749 QSYVRRAEYHBTGW-ZDUSSCGKSA-N 321.381 -0.401 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)c1c(C)nn(C)c1F 1174859362 ODBPOCNRWGYVIH-NSHDSACASA-N 323.372 -0.285 30 20 DBED C#CCNC(=O)CN1CCO[C@@H]2CCN(C(=O)CC3CC3)C[C@H]21 1176882928 VXJWISKHEBVTBE-HUUCEWRRSA-N 319.405 -0.162 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)CCNC(=O)COC)C[C@H]21 1177029652 HSDHWXYNNZVISQ-ZIAGYGMSSA-N 323.393 -0.926 30 20 DBED C=CCOCCN1CCO[C@@H]2CCN(C(=O)c3nc[nH]n3)C[C@@H]21 1177118554 KBFJOFQLBWTWGA-QWHCGFSZSA-N 321.381 -0.077 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)c2c[nH]c(=O)cn2)[C@H]1C 1179421655 YBSFVQUHGAKBMT-QWRGUYRKSA-N 319.365 -0.735 30 20 DBED C#CCNC[C@H]1CCN(C(=O)CN2CC(=O)NC2=O)C[C@@H]1C 1185326180 FGHDYNCSPMUKLG-NWDGAFQWSA-N 306.366 -0.754 30 20 DBED CNC(=O)NCC(=O)N1C[C@H](CNCC#N)C2(CCOCC2)C1 1186401904 AYDZBICUGWBBCJ-LBPRGKRZSA-N 323.397 -0.716 30 20 DBED C#CCNC[C@@H]1CN(C(=O)[C@H](C)CC(N)=O)CC12CCOCC2 1186443631 BKWCLXWOQJFXRH-ZIAGYGMSSA-N 321.421 -0.024 30 20 DBED CC1CCN(CC(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)CC1 1186555696 UWNSUMMDNULMPY-CQSZACIVSA-N 321.425 -0.451 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H]2CCN(C(=O)c3nc[nH]n3)[C@@H]2C1 1189462930 SFRTXEXGHUZQAV-GRYCIOLGSA-N 316.365 -0.911 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(CC(=O)N[C@H](C)CC)C[C@H]1O 1192503618 GUSJIKBAQPKMRD-MGPQQGTHSA-N 309.410 -0.134 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@@H](N(C)CC(=O)NC)C2)nc1 1193543003 OFMHCQBWEINNNP-CYBMUJFWSA-N 300.362 -0.045 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)[C@H]2CCN(C)C2)C1 1194001995 MFNOOOLQTFVQFT-UONOGXRCSA-N 306.410 -0.780 30 20 DBED C=C(C)C[C@@H](C)C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1O 1195526707 XZFZJBVYAZANMZ-JHJVBQTASA-N 308.382 -0.610 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)C(C)(C)CC)C1 1195753531 NTHRWRNPINTPEB-JHJVBQTASA-N 309.410 -0.278 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2cccnc2OCCOC)C1 1199030704 XWJDXRSRLZBVTK-ZIAGYGMSSA-N 319.361 -0.485 30 20 DBED N#CCNC(=O)CNC1CCN(C(=O)CCn2cccn2)CC1 1199359383 GPVYRVVVHYMRLD-UHFFFAOYSA-N 318.381 -0.506 30 20 DBED C=CCCNC[C@H]1CN(C(=O)CS(C)(=O)=O)CCCO1 1199998406 HLMLHXUKTCPJOL-LBPRGKRZSA-N 304.412 -0.186 30 20 DBED C[C@@H](C#N)C(=O)N1CCCO[C@H](CNCC(=O)NC2CC2)C1 1200114080 ALAOXPUDFSFYAK-WCQYABFASA-N 308.382 -0.368 30 20 DBED CC(C)C#CC(=O)N1CCC(N[C@H](C)C(=O)NC(N)=O)CC1 1200456623 YSQFYBJDHOMIMO-LLVKDONJSA-N 308.382 -0.190 30 20 DBED C#CCNC1CCN(C(=O)CN(C)CC(=O)NC(C)C)CC1 1201440910 OXTNAPPWQPDXDL-UHFFFAOYSA-N 308.426 -0.343 30 20 DBED Cn1cnc(C(=O)N2CCC(CNCC(=O)NCC#N)CC2)c1 1204973709 IMYKXCSELWVYMQ-UHFFFAOYSA-N 318.381 -0.498 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)C[C@@](C)(O)C1CC1 1206877431 JOMZDYXLINDSMS-AXAPSJFSSA-N 322.409 -0.386 30 20 DBED N#CCNC(=O)CN[C@H]1CCCN(C(=O)Cc2ccc[nH]2)C1 1211193996 LANKPVMGKKCAIZ-ZDUSSCGKSA-N 303.366 -0.222 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(CCC(=C)C)C[C@H]1OC 1212149865 JGISRNOCKXOOFY-ZIAGYGMSSA-N 307.394 -0.093 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(CCn2cccn2)C[C@H]1OC 1212257878 KIIBTDXGIQUNEA-RRFJBIMHSA-N 320.393 -0.263 30 20 DBED C=CCCCN1C[C@@H](NC(=O)CN2CC(=O)NC2=O)[C@H](OC)C1 1213588572 LIOHLRZBNVWMBG-VXGBXAGGSA-N 324.381 -0.680 30 20 DBED C[C@@H]1CN(C(=O)c2ccnnc2)C[C@H]1NCC(=O)NCC#N 1215655755 UCUGCHOUMFBIGV-ZYHUDNBSSA-N 302.338 -0.834 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)CCC(F)(F)F)C1 1219413718 BFMDDEBDFOILCY-ZJUUUORDSA-N 323.315 -0.208 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C(C)=C2CCC2)C1 1219574900 PPUGGHQTFNYHQJ-KGLIPLIRSA-N 305.378 -0.603 30 20 DBED Cn1cc(CCN2C[C@H](O)[C@H](NC(=O)C#CC3CC3)C2)cn1 1219591465 GIRMOQDNXVHIQB-CABCVRRESA-N 302.378 -0.463 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)CCc2cc(OC)no2)C1 1219715801 LQMLLZQFBIKXCP-OLZOCXBDSA-N 307.350 -0.200 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)N[C@@H]1CN(CCC)C[C@@H]1O 1221089641 KNVOUCHHVRUSIS-NEPJUHHUSA-N 312.414 -0.179 30 20 DBED C=CCOCCN1CC[C@@H]2CN(C(=O)[C@H]3CNC(=O)N3)[C@@H]2C1 1221775001 DVVKNEJJHYUYHZ-JHJVBQTASA-N 308.382 -0.597 30 20 DBED Cn1nnnc1CN1CCC(CNC(=O)CSCC#N)CC1 1222416897 RCNWDRTZVVHBPT-UHFFFAOYSA-N 323.426 -0.205 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1NCc1nnnn1C 1226186847 FKHZFJGUQJXTBP-JHJVBQTASA-N 320.397 -0.235 30 20 DBED C#CCOCCC(=O)NC1CCN(Cc2cn(C)nn2)CC1 1227323075 OWIBQXSQTIWTQQ-UHFFFAOYSA-N 305.382 -0.064 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)[C@H]2CC[C@@H](C)O2)CC1 1229261450 DJOYQJNVPDLDGW-TZMCWYRMSA-N 307.394 -0.116 30 20 DBED Cc1ocnc1C(=O)N(C)C[C@@H]1CCN1CC(=O)NCC#N 1230948404 NPEKJHOZJMJEIP-NSHDSACASA-N 305.338 -0.231 30 20 DBED C=CCNC(=O)CN1CC[C@H]1CN(C)C(=O)c1cncnc1O 1235652592 LBMOYCHDKLTDOI-NSHDSACASA-N 319.365 -0.369 30 20 DBED C[C@](O)(CNC(=O)NCCN/C(O)=C1/N=CC=CC1=O)C1CC1 1251798888 UQLJACFPSPKWOI-LLNWESEBSA-N 322.365 -0.027 30 20 DBED C=CCOC[C@H]1NC(=O)N(C[C@H]2CCS(=O)(=O)C2)C1=O 1257783991 AMHBNKRCSSIILI-NXEZZACHSA-N 302.352 -0.456 30 20 DBED N#Cc1ccc(CCNC(=O)C(=O)N2CCn3cnnc3C2)cc1 1261610937 FAEGKXPRBLYFCI-UHFFFAOYSA-N 324.344 -0.149 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N2CCC(CN)CC2)CCN1C1CC1 1261875300 BTIHAWJGSMKCNF-CQSZACIVSA-N 319.409 -0.618 30 20 DBED CCCNC(=O)CNC(=O)C(=O)Nc1ccn(CCC#N)n1 1319106007 QTABBJNQEPOCIB-UHFFFAOYSA-N 306.326 -0.622 30 20 DBED C=CCN(C(=O)CS(=O)(=O)CC)[C@H]1CCS(=O)(=O)C1 1319914190 AQJWUXRWAKCFCY-JTQLQIEISA-N 309.409 -0.377 30 20 DBED C#CCOc1ccc(CNC(=O)CN2C(=O)CNC2=O)cc1 1324690249 NTTJAJJVCLTDLJ-UHFFFAOYSA-N 301.302 -0.133 30 20 DBED C#C[C@@H](NC(=O)Cn1ncn2nccc2c1=O)[C@@H]1CCCO1 1325774667 UZZNJOMPDCFBCD-PWSUYJOCSA-N 301.306 -0.812 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)NCCCOCC2CC2)C1 1326091718 FXCSMECRGNPBMM-HNNXBMFYSA-N 309.366 -0.204 30 20 DBED C=CC[C@H](CC)NC(=O)C(=O)N[C@H]1CCN(S(C)(=O)=O)C1 1326982225 ZZKDILMDJYWRPH-QWRGUYRKSA-N 317.411 -0.393 30 20 DBED C=CCCN(C)C(=O)C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 1328980937 CCWLXRSPZONOBU-SNVBAGLBSA-N 303.384 -0.829 30 20 DBED COCC#CC(=O)NC[C@@H](O)CS(=O)(=O)c1cccs1 1331152139 HCDGWVJBZJCKNB-SNVBAGLBSA-N 317.388 -0.351 30 20 DBED C#C[C@@H](NC(=O)C(=O)NCc1cn(CC=C)nn1)[C@@H]1CCCO1 1332043285 ONBKEOSFOZXPAE-OLZOCXBDSA-N 317.349 -0.623 30 20 DBED Cc1ncc(CCNC(=O)C(=O)N2CC[C@](O)(CC#N)C2)s1 1332244256 UJJPKXGBTGPZLD-CQSZACIVSA-N 322.390 -0.013 30 20 DBED C#CCNC(=O)C1CCN(c2nnnn2[C@@H](C)COC)CC1 1332507252 ZKWZFBGMRTYHAT-NSHDSACASA-N 306.370 -0.154 30 20 DBED C#CCN1CCC[C@H](NC(=O)N2CCN(CCOC)C(=O)C2)C1 1333216172 SEPMXRQHAFCOCZ-AWEZNQCLSA-N 322.409 -0.416 30 20 DBED CC(=O)CCCC(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1 1343468351 AIFUEGKPSLZNHJ-LLVKDONJSA-N 314.363 -0.288 30 20 DBED CN(C(=O)c1cccc(C#CCO)c1)N1CCS(=O)(=O)CC1 1347690605 LSBJWSXXSIWCRF-UHFFFAOYSA-N 322.386 -0.252 30 20 DBED CC1(O)CCC(NC(=O)C(=O)NC2CCN(CC#N)CC2)CC1 1354513836 JURSCCKCUGTTBU-UHFFFAOYSA-N 322.409 -0.100 30 20 DBED C[C@@H]1CN(c2[nH]c(=O)n(C)c(=O)c2C#N)CCN1CC(C)(C)O 1364186391 YUJZUUKKPKISOW-SNVBAGLBSA-N 321.381 -0.773 30 20 DBED C=C(Cl)CNC[C@H](O)CNC(=O)c1ccc(=O)n(CC)n1 1374654820 BDZOCXMWERFZRN-JTQLQIEISA-N 314.773 -0.304 30 20 DBED CC[C@@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)Cn1cncn1 1375040276 SNMTZDIYNIVCRY-NSHDSACASA-N 315.337 -0.197 30 20 DBED CCN(CCC#N)C(=O)CNC[C@H](C)NC(=O)c1ncccn1 1379569177 UKGOUQUVEFZIIC-LBPRGKRZSA-N 318.381 -0.053 30 20 DBED C[C@H](CNC(=O)c1ncn(C)n1)N(C)C(=O)c1c[nH]c(C#N)c1 1380714075 NIKQOTQKKQMWBT-SECBINFHSA-N 315.337 -0.095 30 20 DBED C[C@@H](C#N)C(=O)NC1CCN(C(=O)c2cc(C(N)=O)c[nH]2)CC1 1385456011 PFRFJSQJMOLOAY-VIFPVBQESA-N 317.349 -0.006 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CCNC(=O)[C@@H]2COC(=O)N2)CC1 1388316719 UJJHMOANQOIVAY-JQWIXIFHSA-N 322.365 -0.001 30 20 DBED CCN(C(=O)CNC(=O)OC)[C@H]1CCN(C(=O)[C@H](C)C#N)C1 1390095633 ORXOELFCSRYDQJ-MNOVXSKESA-N 310.354 -0.049 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1ccnc(C2CC2)n1 1392153995 BEORPTMVYJJCPP-GXSJLCMTSA-N 317.349 -0.279 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C)CC(=O)NCc1cccnc1 1403504233 FXNGJSHSSAXBCL-LBPRGKRZSA-N 303.366 -0.095 30 20 DBED C[C@@H](C#N)C(=O)N1CC(CNC(=O)C[C@H]2CCN(C)C2=O)C1 1409151194 QHLSZOYXRZBKJU-CMPLNLGQSA-N 306.366 -0.411 30 20 DBED N#Cc1ncccc1S(=O)(=O)N[C@@H]1CCc2nnnn2CC1 1414294223 SNBMNPAMAOQUSX-SECBINFHSA-N 319.350 -0.377 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H](NC(=O)c2cnn[nH]2)C2CC2)c1 1414845040 JXHRTNUPABCNQX-NSHDSACASA-N 313.321 -0.057 30 20 DBED COC(=O)[C@]1(C)CCCN(c2[nH]c(=O)n(C)c(=O)c2C#N)C1 1421162757 YRXYXLMSQZKGJF-CQSZACIVSA-N 306.322 -0.275 30 20 DBED CC[C@H](C(N)=O)N1CC[C@@](O)(CNC(=O)c2cc(C#N)c[nH]2)C1 1421352696 KIWDIJDJBDRENR-IUODEOHRSA-N 319.365 -0.683 30 20 DBED CN(C[C@H](O)CNCc1ccc(C#N)cc1)C(=O)c1cnn[nH]1 1423471333 WXIKNEJEEAYIKI-CYBMUJFWSA-N 314.349 -0.101 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H](C)CNC(=O)CCS(C)(=O)=O 1426693203 CDZGFDVZEPTHRG-NXEZZACHSA-N 303.384 -0.456 30 20 DBED CN(CCNC(=O)[C@H]1CCNC(=O)C1)C(=O)c1ccc(C#N)[nH]1 1431187213 SMRVLERNQKWNBA-JTQLQIEISA-N 317.349 -0.399 30 20 DBED C[C@@H](C#N)C(=O)N(C)C[C@H]1CCN(C(=O)Cc2nc[nH]n2)C1 1432111241 KFCFFQQMPDYIBB-WDEREUQCSA-N 304.354 -0.186 30 20 DBED C[C@@H](O)[C@H]1CCCN1C(=O)CCn1cc(C#N)c(O)nc1=O 1434187677 JXCWRZLSHJFUQU-MWLCHTKSSA-N 306.322 -0.418 30 20 DBED C[C@@H]1C[C@@H](C(=O)NCCn2cc(C#N)c(O)nc2=O)CCC1=O 1434205700 BWGHFUPAPMGANX-ZJUUUORDSA-N 318.333 -0.058 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CCC(=O)NC2)C1 1445921329 PJRMZFHYRIXDPE-NNYUYHANSA-N 306.366 -0.317 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(N(CCO)C(=O)[C@@H]2CCOC2)CC1 1446192076 CPDGSEDBTYXEOC-QWHCGFSZSA-N 323.393 -0.006 30 20 DBED C[C@H](C#N)C(=O)NCCN1CCN(C(=O)[C@@H]2CCCN2C)CC1 1446925129 VCUXMXSMBBEBDQ-KGLIPLIRSA-N 321.425 -0.499 30 20 DBED C[C@H](CN(C)C(=O)c1ccc(C(N)=O)[nH]1)NC(=O)[C@H](C)C#N 1451254518 KPEOYOYFUXLXPW-RKDXNWHRSA-N 305.338 -0.150 30 20 DBED C=C(Cl)CN1CCOC[C@@H]1CNC(=O)CN1CCOCC1 1484591022 VINZNAVFVOKETO-ZDUSSCGKSA-N 317.817 -0.112 30 20 DBED CNC(=O)NCCC(=O)N1CC[C@H](CNC(=O)[C@H](C)C#N)C1 1495183632 CZPDSQRAXQCPRX-GHMZBOCLSA-N 309.370 -0.570 30 20 DBED CCN(CCNC(=O)CCS(C)(=O)=O)C(=O)[C@H](C)C#N 1496822649 LKIGSFHXMAOCCL-SNVBAGLBSA-N 303.384 -0.455 30 20 DBED CN(C[C@@H](O)CNCc1ccnn1C)C(=O)c1cc(C#N)c[nH]1 1507471674 SLQPVBVSOODLKV-ZDUSSCGKSA-N 316.365 -0.157 30 20 DBED C=C(C)COCCNC(=O)C(=O)N1CC[C@](OC)(C(=O)O)C1 1588569932 OUFRFSNQIJEGOB-CQSZACIVSA-N 314.338 -0.603 30 20 DBED C[C@H](CNc1cnc(-c2nn[nH]n2)cn1)NC(=O)C#CC1CC1 1591764664 ZGJJHYMDEMXTIP-SECBINFHSA-N 312.337 -0.013 30 20 DBED C[C@@H]1CN(C(=O)C(=O)N2CCC(CC#N)CC2)C[C@@H](C(=O)O)O1 1599850252 YSIGQUPIFBHFFO-PWSUYJOCSA-N 323.349 -0.161 30 20 DBED C=CCNC(=O)CN1CCC2(C1)CN(C(=O)[C@@H]1C[C@H]1C(=O)O)C2 1602901247 CXXFRPVOOKMHBJ-VXGBXAGGSA-N 321.377 -0.456 30 20 DBED COc1cc(C#N)ccc1NC(=O)C(=O)NCCOCC(=O)O 1607064777 AVCIKASWRJJWGR-UHFFFAOYSA-N 321.289 -0.277 30 20 DBED N#Cc1ncn(CCNC(=O)N2CCO[C@H](CC(=O)O)C2)n1 1610636658 LIAQVKIEJFHBAC-SECBINFHSA-N 308.298 -0.965 30 20 DBED Cn1nnc(C[S@@](=O)CC(=O)NCc2ccc(C#N)cc2)n1 1645926207 IJHUVPSMPNNBQW-JOCHJYFZSA-N 318.362 -0.353 30 20 DBED C#CCN1CCN(CCCNC(=O)c2cccc(=O)n2C)CC1 1752351671 BJWUSMHXHLDBLF-UHFFFAOYSA-N 316.405 -0.244 30 20 DBED C[C@H](CCNC(=O)[C@H](C)c1cnn(C)c1)NCC(=O)NCC#N 1753018329 IXCCKBLZPNZLBT-VXGBXAGGSA-N 320.397 -0.352 30 20 DBED CN(CCNC(=O)[C@H]1CCC[C@H](N(C)C)C1)CC(=O)NCC#N 1753070577 GESREEPMXMGBGK-KBPBESRZSA-N 323.441 -0.205 30 20 DBED C#CCNC(=O)[C@H](C)N(C)CCNC(=O)C[C@@H]1CCN(C)C1 1753071096 YKMNJFNQLGHJRI-KBPBESRZSA-N 308.426 -0.486 30 20 DBED C#CCCNC[C@](C)(NC(=O)CC[C@@H]1NC(=O)NC1=O)C1CC1 1753527665 ONFZCWROACNBMI-LRDDRELGSA-N 320.393 -0.128 30 20 DBED C#CCN[C@@H](CNC(=O)CCCn1c(O)nnc1O)C(C)C 1753833299 AZJFXPFBSCENMV-NSHDSACASA-N 309.370 -0.167 30 20 DBED C#CCNC(=O)CN(C)CCN(C)C(=O)[C@@H]1CCCC(=O)N1C 1753868273 ZHRCCHDQSWVQMY-ZDUSSCGKSA-N 322.409 -0.863 30 20 DBED C#CCNC(=O)CNCC[C@@H](C)NC(=O)c1cn(CC)cn1 1754013589 NZIVTVKRZPSULK-GFCCVEGCSA-N 305.382 -0.250 30 20 DBED C=C/C(C)=C/CC(=O)NCC1(O)CN(CC(=O)NCC#N)C1 1754772404 HPNXBAPFEHCRAR-UUILKARUSA-N 306.366 -0.689 30 20 DBED C=CCNCCN(CCO)C(=O)[C@H]1CCc2nnc(C)n2C1 1754898071 PEEFKDLOTFKVCM-ZDUSSCGKSA-N 307.398 -0.255 30 20 DBED C#CCNCC1(NC(=O)c2ccc(C(N)=O)nc2)CCOCC1 1755100494 VTEFCAWTCAGMJK-UHFFFAOYSA-N 316.361 -0.318 30 20 DBED N#CCN1CCC(CO)(NC(=O)[C@@H]2CCn3cncc3C2)CC1 1755178586 JWWJPPXSMZJGFN-CYBMUJFWSA-N 317.393 -0.088 30 20 DBED C=CCOCC(=O)NC1(CO)CCN(CCn2cncn2)CC1 1755179801 RKZZRVFKIPPLGE-UHFFFAOYSA-N 323.397 -0.576 30 20 DBED C#CCCN1CC([C@@H](C)NC(=O)CN(C)S(=O)(=O)CC)C1 1755389509 YBKOFPRQCLELKF-GFCCVEGCSA-N 315.439 -0.272 30 20 DBED C[C@@H](CN(C)C(=O)CC[C@@H]1CCOC1)NCC(=O)NCC#N 1755584351 WQNOXHCNTODQMS-QWHCGFSZSA-N 310.398 -0.121 30 20 DBED C=CCN1CC[C@H](N[C@@H](CO)CNC(=O)Cc2ccon2)C1=O 1755626790 MZHCACPAGLMVAT-OLZOCXBDSA-N 322.365 -0.929 30 20 DBED COCC#CCN[C@H](CO)CNC(=O)c1ncc2ccccn12 1755632076 AWJPVCZLRZHOKA-ZDUSSCGKSA-N 316.361 -0.336 30 20 DBED CN(C)C(=O)C1CCC(C(=O)NC[C@H](CO)NCC#N)CC1 1755643482 MHEABEBSFBGQRE-WXRRBKDZSA-N 310.398 -0.529 30 20 DBED C[C@@H]1C[C@H](NCC(=O)NCC#N)CN1C(=O)c1cccc(O)n1 1755676592 WIYLPWPKGDWING-MNOVXSKESA-N 317.349 -0.380 30 20 DBED C[C@H]1C[C@H](NCC(=O)NCC#N)CN1C(=O)c1ccc(O)nc1 1755689604 QLNLNJUUPKWANP-JQWIXIFHSA-N 317.349 -0.380 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1=CCN(Cc2nnnn2C)CC1 1755886574 MBTZUARAEMXOJB-LBPRGKRZSA-N 318.381 -0.503 30 20 DBED C[C@H](C#N)C(=O)N(C)C[C@H]1CCCN1C(=O)C1(C(N)=O)CC1 1755925562 MQDLOONSHYMWBN-GHMZBOCLSA-N 306.366 -0.139 30 20 DBED CCC(=O)NCC(=O)N(C)[C@@H](C)CNC(=O)CSCC#N 1756005578 JUQBWAZIDNBEHT-JTQLQIEISA-N 314.411 -0.268 30 20 DBED C=CCOCC(=O)NC[C@@H](O)CN(C)C(=O)[C@@H]1CCN(C)C1 1756664080 YPMPAVYSWQNPEJ-CHWSQXEVSA-N 313.398 -0.924 30 20 DBED COCCC(=O)N1CCC(NC(=O)N2CCO[C@@H](C#N)C2)CC1 1771625828 BUVCNZXVZIXKBI-ZDUSSCGKSA-N 324.381 -0.052 30 20 DBED COCC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CC#N)CC1 1795078452 AFQUYTXZZGXNPM-DABQJJPHSA-N 321.377 -0.084 30 20 DBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(F)F)CCO2 1834920929 VJJDLSKVJPFUSN-ZDUSSCGKSA-N 302.277 -0.659 30 20 DBED C#CC(=O)N1CCC(OC2CCN(C(=O)[C@@H](C)O)CC2)CC1 1838743192 CJZXQXOEAXSMCR-GFCCVEGCSA-N 308.378 -0.001 30 20 DBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)C34CC(C3)C4)C2)C1 1839811088 GAPJHWDBAYTFSS-QWFMPGPPSA-N 318.373 -0.124 30 20 DBED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C#C)C2)C1 1840844438 WKFQQYPZAASXAX-MRXNPFEDSA-N 304.346 -0.511 30 20 DBED N#CCCC(=O)N1CCCC12CN(C(=O)Cn1cncn1)C2 1842812711 GQZCJOVIOAELFP-UHFFFAOYSA-N 302.338 -0.215 30 20 DBED C=CCNC(=O)CN1CCN(CC(=O)NCC=C)C(C)(C)C1 174872107 SXZYAPRXLOGUEP-UHFFFAOYSA-N 308.426 -0.013 30 20 DBED CN(CCS(C)(=O)=O)C(=O)CNC(=O)c1ccc(C#N)cc1 263972498 WCCHORJRXZSPIG-UHFFFAOYSA-N 323.374 -0.209 30 20 DBED CO/N=C/c1ccc(C(=O)NCCN2C(=O)CNC2=O)cc1 264973893 OIOFVGXEZYXCSK-CAOOACKPSA-N 304.306 -0.052 30 20 DBED C=CCNC(=O)CNC(=O)[C@H](C(C)C)N1CCCS1(=O)=O 271981678 NJSYEIKKEDAJTH-LBPRGKRZSA-N 317.411 -0.535 30 20 DBED CCO[C@@H]1C[C@H](Nc2c(C#N)c(=O)n(C)c(=O)n2C)[C@@H]1OC 275000621 NQFIIMSTZAHPNT-AXFHLTTASA-N 308.338 -0.440 30 20 DBED C[C@H]1CN(c2c(C#N)c(=O)n(C)c(=O)n2C)C[C@@H](C2CC2)O1 280471017 MZEVIAQBDGLGNJ-CABZTGNLSA-N 304.350 -0.041 30 20 DBED C=CCNC(=O)[C@H](C)S(=O)(=O)c1nc(C(=O)OC)c[nH]1 285037522 GNWIJOIXQOIMDX-ZETCQYMHSA-N 301.324 -0.339 30 20 DBED C[C@]1(N/C(O)=N/C[C@H]2CCN(S(C)(=O)=O)C2)CCOC1 328881726 WQXLAJFMAYXKRN-PWSUYJOCSA-N 305.400 -0.050 30 20 DBED C[C@H](O)CN1CCN(/C(O)=N/C[C@@H]2COCCO2)[C@H](C)C1 329250300 UHACWEOXCMGTML-FRRDWIJNSA-N 301.387 -0.297 30 20 DBED CC(C)[C@](C)(C#N)NC(=O)CN1CC[C@H](S(N)(=O)=O)C1 330471836 OOFBHABHERQBGJ-JQWIXIFHSA-N 302.400 -0.596 30 20 DBED COCc1nc(/C(O)=N/CCNS(=O)(=O)N(C)C)cs1 330607421 JTGHIWMQPXHAEO-UHFFFAOYSA-N 322.412 -0.010 30 20 DBED CNC(=O)[C@@H]1CCCN1CC(=O)N/C(O)=N/[C@H](C)COC 330645676 UDRGOOLGXMQNED-ZJUUUORDSA-N 300.359 -0.738 30 20 DBED CN(C)C(=O)[C@H]1CC[C@H](CNS(=O)(=O)N(C)CCC#N)O1 341227715 KFOYGHKVCALENQ-GHMZBOCLSA-N 318.399 -0.698 30 20 DBED Cc1cc(NC(=O)C(=O)N[C@@H](C)CCN(C)C)nn1CCC#N 348828902 RTEDGGHAMMYBES-NSHDSACASA-N 320.397 0.500 30 20 DBED Cn1cc(C#N)c(=O)n(C[C@H](O)COCc2ccco2)c1=O 356542552 ARCKPSNWIOCUBW-NSHDSACASA-N 305.290 -0.411 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)Nc1cnn(CC(=O)N(C)C)c1 357911552 WVTJHRRMCYHLPV-SNVBAGLBSA-N 322.369 -0.217 30 20 DBED C[C@H](Nc1ccn(CC(=O)N(C)C)n1)C(=O)N(C)CCC#N 359073395 VHVGNYPNSSLKBR-NSHDSACASA-N 306.370 0.144 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)CCCN2CCOCC2)CCO1 361559528 SDTFOBICADUDPC-GFCCVEGCSA-N 303.384 -0.737 30 20 DBED C=CCNC(=O)NC(=O)CN1CC[C@@H](OC)C[C@@H]1C(=O)OC 370349452 QORLXGPMRSFIMH-GHMZBOCLSA-N 313.354 -0.349 30 20 DBED N#CCC1(CNC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)CC1 431178596 JZZXJVIIKJDEJK-FPQZTECRSA-N 317.345 -0.041 30 20 DBED C[C@H]1[C@@H](NS(=O)(=O)N(C)C[C@@H](C)C#N)CCS1(=O)=O 431628474 QCBUUUPAEUDCJD-GUBZILKMSA-N 309.413 -0.512 30 20 DBED C#C[C@H](NC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)C(C)C 491013034 HTJSMJSDQDBBHM-ZDUSSCGKSA-N 320.393 -0.223 30 20 DBED C#C[C@H](C)N(C)S(=O)(=O)CCCS(=O)(=O)N[C@@H](C)C#N 491542833 CMIAFWPAUGJVAE-QWRGUYRKSA-N 321.424 -0.509 30 20 DBED CC[C@H]1CN(C)CCN1C(=O)C(=O)Nc1ccn(CCC#N)n1 556684682 IPPDXXIFZRCIHZ-LBPRGKRZSA-N 318.381 0.288 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N[C@@H](C(=O)O)c1ccnn1C 567886828 XMDSIWRPQMGVQY-PSASIEDQSA-N 315.355 -0.386 30 20 DBED CC(C)[C@@H](CNS(=O)(=O)N1CCO[C@H](C#N)C1)C(=O)O 593945662 VYKQAHGSVSKMPX-NXEZZACHSA-N 305.356 -0.598 30 20 DBED COC(=O)c1ccc(N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c(C#N)n1 596013268 HLWWSOAFZQSARS-NXEZZACHSA-N 315.333 -0.512 30 20 DBED C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(CCC#N)CC2)CCO1 602253796 XEMUZSDBAPAAEK-OLZOCXBDSA-N 308.382 -0.272 30 20 DBED CS(=O)(=O)N1CCN(CCNc2cnccc2C#N)CC1 611370508 UYGGMLNERXPBGX-UHFFFAOYSA-N 309.395 -0.058 30 20 DBED CC#CC[C@H](CO)NC(=O)c1oc(S(N)(=O)=O)cc1C 616505134 HEVAMUVQJZCWCU-SECBINFHSA-N 300.336 -0.260 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CCS(=O)(=O)[C@@H](C(=O)O)C1 643871034 AVYKSTWJKMXIJK-OUAUKWLOSA-N 317.363 -0.322 30 20 DBED C=CCN1CCC(NC(=O)[C@@H]2CCN(C)S2(=O)=O)CC1 648773401 HPJUZJGCKJLQLR-LBPRGKRZSA-N 301.412 -0.213 30 20 DBED CN(CCO)c1ccc(C=NNC(=S)NCC(N)=O)cc1 731928590 RISBVPDIHAUTDP-UHFFFAOYSA-N 309.395 -0.602 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)Cc1ccc(C(N)=O)cc1 753474717 VEIWIHTVRDFWEK-UHFFFAOYSA-N 319.317 -0.117 30 20 DBED C#CCCCC(=O)N(CC)CC(=O)N[C@H]1CCS(=O)(=O)C1 757838814 WHGJSKQVCWUYHD-LBPRGKRZSA-N 314.407 -0.058 30 20 DBED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)c2n[nH]c(O)n2)C1 758773907 SVRQCCSSMGIHON-SFYZADRCSA-N 322.325 -0.001 30 20 DBED COC(=O)[C@H]1CN(Cn2nc(CC#N)n(C)c2=S)CCO1 794626589 SRYJWSPEMNTRAL-SECBINFHSA-N 311.367 -0.152 30 20 DBED C#CCOCCNC(=O)CNS(=O)(=O)c1cccc(F)c1 811027636 WJNPWFJFSBAHBW-UHFFFAOYSA-N 314.338 -0.130 30 20 DBED N#C[C@H]1CNC[C@@H]1NC(=O)CCNS(=O)(=O)c1ccccc1 834505745 NNVUSZXLLDVNHL-AAEUAGOBSA-N 322.390 -0.417 30 20 DBED N#C[C@@H]1CNC[C@@H]1NC(=O)CNC(=O)NCc1ccc(F)cc1 843459310 DLKBXUICNOEWTG-YPMHNXCESA-N 319.340 -0.147 30 20 DBED C#CCC[C@@H](O)CNC(=O)[C@@H](C)n1cnc2c(N)ncnc21 847170227 CJICGMVMWPUQTH-NXEZZACHSA-N 302.338 -0.140 30 20 DBED C#CC[C@@H](NC(=O)C1=C(C)N(C)c2nnnn2[C@H]1C)C(=O)OC 848219473 AGJNICBMNWKCKN-VHSXEESVSA-N 318.337 -0.361 30 20 DBED N#Cc1cccnc1NCCNC(=O)N1CCC(O)(CO)CC1 853481086 BACWLCASFFNZEU-UHFFFAOYSA-N 319.365 -0.106 30 20 DBED C#CC[C@H](NC(=O)CCn1cnc2c(N)ncnc21)C(=O)OC 854910536 BNQYGQRZEQRFIR-VIFPVBQESA-N 316.321 -0.520 30 20 DBED C#CC[C@@H](NS(=O)(=O)CCCN1CCCC1)C(=O)OC 867389150 YQEBYYPMRDMMAI-GFCCVEGCSA-N 302.396 -0.043 30 20 DBED CC(C)(O)[C@@H]1CCCN(S(=O)(=O)N2CCO[C@H](C#N)C2)C1 872539853 WQCPVNOSSHMKCN-VXGBXAGGSA-N 317.411 -0.062 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N(C)C[C@H](O)C(F)(F)F 875596944 WVUGBCFKDYDUJY-ZJUUUORDSA-N 324.299 -0.087 30 20 DBED C#CC1(O)CN(S(=O)(=O)c2cnn(C)c2Br)C1 908230129 QHLRZXTVIAVQBH-UHFFFAOYSA-N 320.168 -0.449 30 20 DBED CC#CCN1CC[C@H](NC(=O)Cn2ncn(C)c2=O)[C@H](C)C1 942200781 PAKDSNKXUNKELL-OLZOCXBDSA-N 305.382 -0.568 30 20 DBED C[C@@H]1C[C@@H](NC(=O)CN2CCC(=O)NC2=O)CCN1CC#N 947899951 OASDEIMHQCWIFL-MNOVXSKESA-N 307.354 -0.579 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CNC(=O)[C@H]2CCN(C)C2=O)CC1 949393642 CZNMSIVORMKZCX-WCQYABFASA-N 320.393 -0.021 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCN([C@H]2CCC(=O)NC2=O)CC1 950593518 FPONOCQVYPRXGY-AGIUHOORSA-N 321.377 -0.473 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@]2(CCN(C(=O)C3(C(N)=O)CC3)C2)C1 953210725 XMMZYLIGFNZUFN-ABAIWWIYSA-N 318.377 -0.137 30 20 DBED C#CCCN1C[C@@H](O)[C@@H](CNC(=O)c2cnn3ccncc23)C1 958145064 GQSSEDXBTZLSBT-SWLSCSKDSA-N 313.361 -0.225 30 20 DBED CC#CCN1C[C@@H](O)[C@H](CNC(=O)c2ccc(N(C)C)nn2)C1 958598600 KQBITYKTHCTBKO-TZMCWYRMSA-N 317.393 -0.412 30 20 DBED CCn1cnc(C(=O)N(C)[C@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)c1 958898029 NOPPLANETLYRCT-WXHSDQCUSA-N 319.365 -0.294 30 20 DBED CC1(C)CC(=O)N(CC(=O)N[C@H]2[C@@H]3CN(CC#N)C[C@@H]32)C1=O 959898099 ZQDBGVOJQCVKJJ-IWIIMEHWSA-N 304.350 -0.659 30 20 DBED Cc1ncc(C(=O)N2CCO[C@@H]3CN(C(=O)[C@@H](C)C#N)C[C@@H]32)[nH]1 960134259 HQWXFLPQSDLYDO-TVYUQYBPSA-N 317.349 -0.070 30 20 DBED C=C(C)CN1C[C@H]2C(NC(=O)c3cc(=O)n4[nH]cnc4n3)[C@@H]2C1 962289730 RYSLXCZOUBGEEL-NXEZZACHSA-N 314.349 -0.346 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H]2[C@@H]1CCN2C(=O)Cn1cnnn1 963520961 QCVGJXJUAPWMCE-WOPDTQHZSA-N 317.353 -0.575 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2COCCN2C(=O)COC)nn1 964190925 LDPMCCXMRATXJJ-NSHDSACASA-N 323.353 -0.932 30 20 DBED C=CC(C)(C)C(=O)N1CCOC2(CN(C(=O)CC(N)=O)C2)C1 965435781 JASSJZNLNKZIEK-UHFFFAOYSA-N 309.366 -0.486 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CN(C(=O)c3ccnnc3)CCO2)C1 965503955 UESNIDVBDCRASH-NSHDSACASA-N 315.333 -0.310 30 20 DBED C[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)c1cnn(C)n1 966403053 VJSDWGLEIJZJOI-GXFFZTMASA-N 301.350 -0.195 30 20 DBED N#CCOc1ccc(CN[C@@H]2CCN(C(=O)C(N)=O)C2)cc1 969778412 XJSVDWJUBBVHRS-GFCCVEGCSA-N 302.334 -0.235 30 20 DBED CN(CC#N)[C@H]1CCN(C(=O)[C@@H]2CCc3nnn(C)c3C2)C1 972178380 AAEBPXDDBLOTHE-NEPJUHHUSA-N 302.382 -0.024 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)c3ccc(O)nn3)C2)C1 972233772 KQJPWQKJJHZTST-OAHLLOKOSA-N 302.334 -0.268 30 20 DBED CN1C[C@@H](C(=O)N2CC[C@]3(CN(CC#N)CCO3)C2)CCC1=O 972689401 XMILOLXSPNFUMT-BBRMVZONSA-N 320.393 -0.318 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)c3c[nH]c(C(N)=O)c3)[C@H]2C1 976548249 OMOSVBMWLCHPNV-BXSSEVMYSA-N 315.333 -0.540 30 20 DBED CC#CCN1C[C@@H]2C(CNC(=O)[C@@H]3CCS(=O)(=O)C3)[C@H]2C1 978429438 ZJROQZSVCSHRSH-MRVWCRGKSA-N 310.419 -0.262 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H]2C[C@H](NC(=O)c3cnn[nH]3)C2)c1 979611550 FREQGYPOBWVCKP-CZMCAQCFSA-N 313.321 -0.057 30 20 DBED Cn1nnc(CNC[C@H]2C[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)n1 983506329 LRDOZBOEJWYYHK-HOMQSWHASA-N 314.353 -0.292 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1CNC(=O)[C@@H]1CCNC1=O 994420255 RSENSPJIQNNDDJ-MRVWCRGKSA-N 317.389 -0.253 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN(C(=O)Cn2cccn2)C1 994750962 JMNNMTGWBVRZBJ-AWEZNQCLSA-N 315.377 -0.692 30 20 DBED CN1CC(=O)N(CC(=O)N2C[C@H](NCC#N)C(C)(C)C2)C1=O 996585859 RRBXDVHNRJITKS-JTQLQIEISA-N 307.354 -0.769 30 20 DBED C#CCN1CC[C@H](n2cc(CNC(=O)c3n[nH]cc3F)nn2)C1 1000018710 ZSCWBNSSLTVQAG-NSHDSACASA-N 317.328 -0.050 30 20 DBED NC(=O)c1ccc(C(=O)NCC2CN(C(=O)C#CC3CC3)C2)[nH]1 1004489719 POERWUAKTWXDCK-UHFFFAOYSA-N 314.345 -0.285 30 20 DBED C[C@H]1CN(C(=O)[C@H](C)C#N)CC2(CCN(C(=O)C(N)=O)CC2)O1 1006773044 CFLHLLDJZHVVCW-MNOVXSKESA-N 322.365 -0.760 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2C(NC(=O)C34CCN(CC3)C4)[C@@H]2C1 1013452801 MQBPISAJBXJIND-IJLUTSLNSA-N 302.378 -0.185 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 1015455903 KSFFYVKTWGFIKJ-SNVBAGLBSA-N 300.326 -0.869 30 20 DBED C=C(Cl)CN1CC[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 1015696024 SWMMUOQEWISTJS-OUAUKWLOSA-N 301.774 -0.038 30 20 DBED C#CCN1CCC(C(=O)N[C@@H]2CCN(CC(=O)NC)C2)CC1 1016336678 MYKQNUGZQMCAHT-CQSZACIVSA-N 306.410 -0.732 30 20 DBED C=CCN1CC[C@H](N[C@H]2C[C@H](NC(=O)c3ncn(C)n3)C2)C1=O 1020128458 WYWADPFQMYNEBN-SRVKXCTJSA-N 318.381 -0.548 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2C[C@@H](NCc3nc(O)n[nH]3)C2)nc1 1022990816 IWWVKBFAXSTBIM-PHIMTYICSA-N 312.333 -0.063 30 20 DBED COc1c(O)nc(O)nc1C(=O)NC[C@H]1CCCN(CC#N)C1 1023699502 FTSCSGVLAJKFRG-SECBINFHSA-N 321.337 -0.138 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)CC)C[C@H]2O)nn1 1023769544 WVCNLKMYFJHPHJ-DMDPSCGWSA-N 321.381 -0.188 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)C2CCN(C)CC2)C1 1024414441 MXWIKJWQPZHZOH-CYZMBNFOSA-N 308.382 -0.824 30 20 DBED Cc1ncccc1CC(=O)N[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1O 1025678559 LIRGXULOPOXVLB-LERXQTSPSA-N 316.361 -0.220 30 20 DBED C=CCN[C@@H]1CC[C@H]2CN(C(=O)CN3CCNC(=O)C3)C[C@H]21 1026331530 WEIKWKDUPSJTFE-BFHYXJOUSA-N 306.410 -0.569 30 20 DBED N#CCN1CC[C@H](CNC(=O)c2cn([C@@H]3CCOC3)nn2)C1 1028917570 MSMVGGBESHBRMF-VXGBXAGGSA-N 304.354 -0.185 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)[C@@H]2COCCN2CCCC)C1 1035458287 HMVRUKIFEMGLHY-HOTGVXAUSA-N 323.437 -0.063 30 20 DBED C=CCn1cc(C(=O)NC[C@]2(O)CCN(C(=O)C(C)C)C2)nn1 1039754865 IJPJIXZABHVMQV-OAHLLOKOSA-N 321.381 -0.187 30 20 DBED Cc1nsc(N2C[C@@H](O)[C@H](NC(=O)c3nc[nH]n3)C2)c1C#N 1041134538 WGXJWEWKKGSVOP-RKDXNWHRSA-N 319.350 -0.579 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)c2ccnc(OC)n2)C1 1041956416 KSGSCZMYBAKICN-UHFFFAOYSA-N 320.349 -0.246 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)CCCN(C)C)C1 1042801366 KYRVXNKREATWRQ-UHFFFAOYSA-N 309.410 -0.179 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)[C@]2(C)CCC(=O)N2)C1 1042801544 MPJZVXCSIOWENZ-HNNXBMFYSA-N 321.377 -0.852 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)CO[C@@H]2CCOC2)C1 1043046602 FHLVSTYRGGHZRV-CYBMUJFWSA-N 324.377 -0.859 30 20 DBED C=CCCOCC(=O)NCC1(O)CN(C(=O)CSC)C1 1043565211 LPUJFTGIILWHHR-UHFFFAOYSA-N 302.396 -0.368 30 20 DBED CC#CCCCC(=O)NCC1(O)CN(C(=O)c2ncc[nH]2)C1 1044994557 VNKLFQRIIXAZFP-UHFFFAOYSA-N 304.350 -0.094 30 20 DBED Cn1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)N3CC#N)ncc1=O 1045816621 UPLUGKZKEOVYSV-NEPJUHHUSA-N 301.350 -0.017 30 20 DBED C=CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 1047532109 SNKDYVAVDKMWRJ-RFGFWPKPSA-N 309.410 -0.032 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cn([C@H]3CCOC3)nn2)C1 1047589144 BJDBFBFAWBLHLU-UBHSHLNASA-N 321.381 -0.457 30 20 DBED CC(C)C#CC(=O)N(C)[C@H]1CN(C(=O)[C@H]2CCOC2)C[C@@H]1O 1048810723 FPEAYPNGPDDHLY-IHRRRGAJSA-N 308.378 -0.288 30 20 DBED CN(C(=O)C#CC1CC1)[C@H]1CN(C(=O)c2cnccn2)C[C@@H]1O 1048817414 XHIOAJQKGMRFCG-KBPBESRZSA-N 314.345 -0.466 30 20 DBED CN(C(=O)C#CC1CC1)[C@H]1CN(C(=O)CC2(O)CCC2)C[C@@H]1O 1048821255 ITYLDGMQLHTPKP-KBPBESRZSA-N 320.389 -0.265 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cn2ccnc2)C1 1049031169 RENORWPQAPWGHM-KBPBESRZSA-N 318.377 -0.427 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)CCc2cn[nH]c2)C[C@@H]1O 1049401515 HFLJZUFPRJNADX-DRZSPHRISA-N 319.365 -0.468 30 20 DBED C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1cnc(C(N)=O)n1 1049483517 YGOFLZLKENZVIG-NWDGAFQWSA-N 318.381 -0.372 30 20 DBED CC#CCN1CCOC[C@@H]1CNC(=O)c1ncc(OC)cn1 1051012468 CLIDXSDXVGAYOB-LBPRGKRZSA-N 304.350 -0.061 30 20 DBED CNC(=O)NCC(=O)N1C[C@H](C)[C@H](CNC(=O)C#CC(C)C)C1 1052776354 MSUQQNHLHJOFIB-QWHCGFSZSA-N 322.409 -0.215 30 20 DBED C#CCN1CC2(C1)CN(C(=O)[C@H]1CCCN(C(C)=O)C1)CCO2 1053331864 BBTNAMVZPNSRDK-HNNXBMFYSA-N 319.405 -0.209 30 20 DBED C#CCN1CC2(CC[C@@H](CNC(=O)[C@@H]3CCNC(=O)C3)O2)C1 1053590349 FWSCAWQFWOMTJE-OLZOCXBDSA-N 305.378 -0.505 30 20 DBED C#CCN[C@H]1CN(C(=O)c2nc(C)n(-c3nc[nH]n3)n2)C[C@H]1C 1054953126 AIVLCCUFQCLCQG-KOLCDFICSA-N 314.353 -0.623 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@](CO)(NC(=O)c2cnon2)C1 1056073323 VORJVMVXOSXBDW-NOZJJQNGSA-N 307.310 -0.687 30 20 DBED C#CCC1(C(=O)N2CCC[C@@](CO)(NC(=O)C(N)=O)C2)CCC1 1056088102 AMUZXLGIYFLWDD-MRXNPFEDSA-N 321.377 -0.865 30 20 DBED Cc1nc(CC(=O)NC2[C@@H]3CN(c4ccnc(C#N)n4)C[C@@H]23)n[nH]1 1056203949 QIHUVGDXXSCNCE-NXEZZACHSA-N 324.348 -0.432 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H]2CCCN(C(=O)C3CC3)[C@@H]2C1 1056578044 OZIOWVXCXJZDMP-UONOGXRCSA-N 317.389 -0.015 30 20 DBED C=C[C@](C)(O)CC(=O)N(CCO)CCNC(=O)c1cccnc1 1057450348 OZGRYRKEQISIEJ-INIZCTEOSA-N 321.377 -0.041 30 20 DBED CCN(C)CCC(=O)NCCN(CCO)C(=O)C#CC(C)C 1057521631 LTSUFPABNPLDRE-UHFFFAOYSA-N 311.426 -0.075 30 20 DBED C[C@@H]1C[C@@H](C(=O)NCCN(CCO)C(=O)C#CC2CC2)CO1 1057535433 AEHLUOMBPPMDLN-TZMCWYRMSA-N 308.378 -0.238 30 20 DBED C#CCOCCC(=O)N(CCO)CCNC(=O)[C@H](C)COC 1057581567 ULNHWXINYCVDNE-CYBMUJFWSA-N 314.382 -0.754 30 20 DBED C=C(C)C(C)(C)C(=O)N(CCO)CCNC(=O)Cn1ncnn1 1058288007 MNRWGHRLWQDAGJ-UHFFFAOYSA-N 324.385 -0.788 30 20 DBED C#CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)[C@H](F)C(C)C 1058431462 XHTFOLHEHYAVGB-QWHCGFSZSA-N 316.373 -0.044 30 20 DBED CN1CC[C@@H](C(=O)N[C@H]2CCN(c3cncc(C#N)n3)C2)C1=O 1058515213 WVCVSXLQUBRWKQ-JQWIXIFHSA-N 314.349 -0.479 30 20 DBED CCc1cc(C(=O)N(CCO)CCNC(=O)[C@H](C)C#N)n(C)n1 1058539019 NOBXGPZVPWSEAT-LLVKDONJSA-N 321.381 -0.307 30 20 DBED C#CCO[C@@H](C)C(=O)NCC[C@@H]1CCN(C(=O)CNC(C)=O)C1 1059053158 YGDILFZMSRBOEY-GXTWGEPZSA-N 323.393 -0.484 30 20 DBED CN1C[C@@H](C(=O)N[C@H]2C[C@@H](Nc3ccc(C#N)nn3)C2)CC1=O 1059862175 BEBVUZJVEFLTEL-ZMLRMANQSA-N 314.349 -0.114 30 20 DBED C=CCCC(=O)N1CCOC[C@H]1CNC(=O)c1cnnn1C 1061546694 VWESHLDASYPIGL-LLVKDONJSA-N 307.354 -0.262 30 20 DBED C=CCCC(=O)N1CCOC[C@H]1CNC(=O)[C@@H]1CCCNC1=O 1061659400 WIFVEDDNDMEATG-CHWSQXEVSA-N 323.393 -0.178 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(NC(=O)c2cnn[nH]2)CCC1 1062870177 VPPIJSFDQGGYNR-CYBMUJFWSA-N 307.354 -0.100 30 20 DBED CN(C(=O)[C@@H]1COC(=O)N1)[C@@H]1CCN(c2cnc(C#N)cn2)C1 1062928596 LWCGBSJADXZQOH-MNOVXSKESA-N 316.321 -0.506 30 20 DBED CCOCC(=O)NC[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)CCO1 1065064422 ZZRQSEKRRJYRON-ZDUSSCGKSA-N 320.349 -0.120 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)c2cnn[nH]2)CCO1 1065325866 IJGODNYSEONYST-LLVKDONJSA-N 305.338 -0.579 30 20 DBED C=CCCOCC(=O)NC[C@H]1CN(C(=O)c2nc[nH]n2)CCO1 1065448865 DLLCILMGPKDXMJ-NSHDSACASA-N 323.353 -0.645 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CN(C(=O)Cc2ncc[nH]2)CCO1 1065521199 LCPYRZZFEPMQBZ-MNOVXSKESA-N 305.338 -0.545 30 20 DBED C=CCCCC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)CCO1 1065540766 VTIKARPCNFGVQS-NEPJUHHUSA-N 324.381 -0.632 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)CCCN(C)C(=O)Cn1cncn1 1067430257 CFGBSTOWDZXCEM-ZDUSSCGKSA-N 321.381 -0.377 30 20 DBED Cc1nsc(N[C@@H](C)[C@H]2CN(C(=O)C(N)=O)CCO2)c1C#N 1068243569 KNGSSPHMLREFHK-WCBMZHEXSA-N 323.378 -0.164 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC2(C1)CN(C(=O)[C@@H](C)OC)CCO2 1068327130 IAPHQVFQCRJMOP-OLZOCXBDSA-N 324.377 -0.501 30 20 DBED C#CCCCC(=O)N1CC2(C1)CN(C(=O)c1nc[nH]n1)CCO2 1068425730 PXBDOOZDAPEDCR-UHFFFAOYSA-N 317.349 -0.338 30 20 DBED CCN(CC)CC(=O)N1CC2(C1)CN(C(=O)[C@H](C)C#N)CCO2 1068452132 ZULIPHUYKNRBBO-CYBMUJFWSA-N 322.409 -0.072 30 20 DBED C=CCCC(=O)N[C@@H]1COC2(C1)CN(C(=O)[C@H]1COCCO1)C2 1068746647 BFXTWPQLIRFCMG-QWHCGFSZSA-N 324.377 -0.146 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1COC2(C1)CN(C(=O)c1cn[nH]c1)C2 1069003774 PPKABXUGFVFTAV-ONGXEEELSA-N 303.322 -0.331 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1COC2(C1)CN(C(=O)c1cccnn1)C2 1069004310 VJNQQJBYGCJPTG-WDEREUQCSA-N 315.333 -0.264 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1 1070026857 KTRNAIDTTMVZAF-MQYQWHSLSA-N 316.365 -0.266 30 20 DBED Cn1cc(C(=O)N2C[C@H](n3ccnn3)[C@H](NCC#N)C2)cn1 1070135878 GYYQPKSSXHZRJK-NEPJUHHUSA-N 300.326 -0.810 30 20 DBED Cn1nncc1C(=O)N[C@@H]1CCCN(C(=O)CSCC#N)C1 1070452395 ISCXTYPCRRJOAH-SNVBAGLBSA-N 322.394 -0.207 30 20 DBED NC(=O)CN1C[C@H]2C[C@@H]3CN(C(=O)C#CC4CC4)C[C@@]3(C1)O2 1070797891 CTBZRRRYHVGTRI-XJKCOSOUSA-N 303.362 -0.813 30 20 DBED COCC(=O)N1CC[C@@H](N2C(=O)O[C@H]3CN(CC#N)C[C@H]32)C1 1070897542 NGJLDCPDPWNLPI-UTUOFQBUSA-N 308.338 -0.738 30 20 DBED C#CCN1CCC2(C1)CN(C(=O)c1cnn3c(=O)cc[nH]c13)C2 1073041977 XUKAMOUODJJFBA-UHFFFAOYSA-N 311.345 -0.196 30 20 DBED C=CCN1CCO[C@@H]2CCN(C(=O)Cn3c(O)nnc3O)C[C@@H]21 1074393098 VJCKZISEDMMLAD-WDEREUQCSA-N 323.353 -0.823 30 20 DBED C[C@H](C#N)C(=O)N1CCC(O)(CNC(=O)c2ccon2)CC1 1074704680 GCFZPMKMOFQEHQ-SNVBAGLBSA-N 306.322 -0.082 30 20 DBED C=CCCC(=O)NCC1(O)CCN(C(=O)Cn2cncn2)CC1 1074737357 VJOKTCZVNRKRSH-UHFFFAOYSA-N 321.381 -0.286 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1077432416 QWHKIZMBZUSTIO-VQJWOFKYSA-N 310.394 -0.225 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)Cc2ccc3c(c2)OCCO3)C1 1078129836 CYNMPNMVKSXPMI-ZIAGYGMSSA-N 316.357 -0.205 30 20 DBED N#CCN[C@H]1C[C@H](NC(=O)Cn2ccc(O)nc2=O)C12CCC2 1078672752 FITBGXDZPHYNCC-QWRGUYRKSA-N 317.349 -0.511 30 20 DBED C=CCOCC(=O)NC1(CO)CCN(C(=O)C(F)F)CC1 1080773148 JECZTVWPDMVMHW-UHFFFAOYSA-N 306.309 -0.076 30 20 DBED N#CCSCC(=O)NC[C@H]1CN(C(=O)c2ccc[nH]2)C[C@H]1O 1081286943 RCIHMWNZUMQLIX-CMPLNLGQSA-N 322.390 -0.179 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cc(OC)ncn1 1083083495 XPGZKUSOLIOGNG-QWHCGFSZSA-N 302.334 -0.356 30 20 DBED C=CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1ccc(C(N)=O)nc1 1083291611 PQYMMSRAEJPUPK-UONOGXRCSA-N 316.361 -0.108 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCO[C@H]2c2ccncc2)C1 1083468792 QSOJYALCMGDKGB-KBXIAJHMSA-N 316.361 -0.156 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@H]2CC(=O)N(CCC)C2)C1 1083820865 JLHVXFVYNMTCEC-MJBXVCDLSA-N 307.394 -0.571 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)C[C@H]2NC(=O)c3ccccc32)C1 1083879589 RPKZKYDGTHMJDI-KFWWJZLASA-N 313.357 -0.344 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)C1 1084024134 SMGBKOJTPKURFJ-MNOVXSKESA-N 324.381 -0.946 30 20 DBED CN(C)C(=O)[C@@H]1CC[C@H](C(=O)NC[C@H]2C[C@H](NCC#N)C2)O1 1086476890 JPGVJZNDQAUCRI-LPWJVIDDSA-N 308.382 -0.370 30 20 DBED N#CCN[C@@H]1CCCCCN(C(=O)CN2CCOCC2=O)C1 1088327089 FTCVANMKZFWREK-CYBMUJFWSA-N 308.382 -0.270 30 20 DBED CC#CCN1CC[C@H](NC(=O)[C@@H]2COCCN2C(C)=O)[C@H]1C 1089049631 VGLZPIHEXPXIQL-SNPRPXQTSA-N 307.394 -0.164 30 20 DBED CCN(c1ccnc(C#N)n1)[C@H](C)CNC(=O)Cn1nccn1 1089697347 PLMCZOQFMFATGU-LLVKDONJSA-N 314.353 -0.029 30 20 DBED N#CCN1C[C@H]2[C@H]3CC[C@@H]([C@H]2C1)N(C(=O)Cn1cncn1)C3 1089903145 PYGTUYLTXGUNCM-XUXIUFHCSA-N 300.366 -0.030 30 20 DBED C#CCN1C[C@H](NC(=O)Cn2ncnn2)CC2(CCOCC2)C1 1089939753 XVKOYPXBUWUAIM-CYBMUJFWSA-N 318.381 -0.706 30 20 DBED C=CCN1CC[C@H](NC(=O)c2cccn3nnnc23)[C@H](O)C1 1090294296 CEKWARJICURWOD-NWDGAFQWSA-N 302.338 -0.525 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2cnn3cccnc23)[C@@H](O)C1 1090483441 SFVSLSDPMKHTGB-KBPBESRZSA-N 313.361 -0.082 30 20 DBED C=CCN1CC[C@H](NC(=O)c2nc(O)nc(O)c2OC)[C@@H](O)C1 1090717903 AGXFSJUGJMUWJG-IUCAKERBSA-N 324.337 -0.753 30 20 DBED CC[C@@H]1[C@@H](NC(=O)CC(=O)NC)CCN1c1nccnc1C#N 1091770995 GAYKJADWZDDRGW-CMPLNLGQSA-N 316.365 -0.042 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCN(c2cnc(F)cn2)C[C@@H]1O 1092163612 DSJXKKFKKMRXTQ-NEPJUHHUSA-N 322.340 -0.289 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(OC2CN([C@H]3CCNC3=O)C2)CC1 1093517664 VZTFXSCHODCNBZ-FZMZJTMJSA-N 320.393 -0.274 30 20 DBED C=CCN1CC(OC2CCN(C(=O)Cn3ncnn3)CC2)C1 1093536889 VXWXRPUWAMNHDM-UHFFFAOYSA-N 306.370 -0.449 30 20 DBED CN(C)C(=O)C1(C(=O)NCCNc2nccnc2C#N)CC1 1093852877 UYZVAPAGMDSMJQ-UHFFFAOYSA-N 302.338 -0.255 30 20 DBED CC(C)(C(=O)NCCN=c1cc[nH]cc1C#N)S(C)(=O)=O 1093863120 DLLBKIIEDVBQSB-UHFFFAOYSA-N 310.379 -0.274 30 20 DBED C[C@@H]1CCN(C(=O)C(=O)NCCNc2ccc(C#N)nn2)C1 1093869882 FSWVQJLUCDRTRB-SNVBAGLBSA-N 302.338 -0.255 30 20 DBED COCC(=O)NCCC(=O)NCCNc1nc(C)ccc1C#N 1094196912 NTCWSMFSXYWOFP-UHFFFAOYSA-N 319.365 -0.058 30 20 DBED Cn1nc(C(=O)N2C[C@H]3C[C@@H](NCC#N)C[C@H]2C3)ccc1=O 1095052199 LGDUNQJBDPFGNJ-QJPTWQEYSA-N 301.350 -0.113 30 20 DBED CC(=O)N[C@H](C)C(=O)N1CC[C@H](N(C)c2nccnc2C#N)C1 1095089864 GQMALPPTGRKIQY-PWSUYJOCSA-N 316.365 -0.090 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCN(c2ccnc(C)n2)C1 1096359805 HBGSUEIOGCTHOU-GFCCVEGCSA-N 301.350 -0.381 30 20 DBED CS(=O)(=O)CCC(=O)N[C@H]1CCN(c2nccnc2C#N)C1 1096502244 LULASRACBXFAGG-JTQLQIEISA-N 323.378 -0.522 30 20 DBED C[C@@H](CNC(=O)c1cnc(O)n1C)N=c1cc[nH]c(C#N)n1 1098213077 BROHYRRZNHYGIO-QMMMGPOBSA-N 301.310 -0.560 30 20 DBED C[C@H](CNC(=O)[C@]1(C)CCNC1=O)Nc1cncc(C#N)n1 1098261884 UTYCQVVVMBZGAL-YMTOWFKASA-N 302.338 -0.209 30 20 DBED Cn1cnc(C(=O)N2CC[C@H](n3cc(CNCC#N)nn3)C2)n1 1098666962 MYCAOPYIJCIJOD-NSHDSACASA-N 315.341 -0.893 30 20 DBED C[C@@H](CCNC(=O)COCCN(C)C)N=c1cc[nH]c(C#N)n1 1099313758 GPKZWWSSHLCZIZ-LBPRGKRZSA-N 320.397 -0.345 30 20 DBED C[C@H](CCNC(=O)CCn1cnnn1)Nc1cnc(C#N)cn1 1099418179 YUPLZWXEMKQPLZ-SNVBAGLBSA-N 315.341 -0.268 30 20 DBED C[C@@H](CCNC(=O)c1cnc(O)n1C)N=c1cc[nH]c(C#N)n1 1099616712 KLJOVBMFMPHLKB-VIFPVBQESA-N 315.337 -0.170 30 20 DBED C=C(Cl)CN1CC[C@@H](NC(=O)CNC(=O)OC)[C@H](O)C1 1099696481 ZANUMJOQPUOZTF-NXEZZACHSA-N 305.762 -0.354 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2cc(C)nn2C)[C@@H](O)C1 1099697598 BQBSVMJFOIZCKO-ZFWWWQNUSA-N 320.393 -0.457 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)CCOCC)[C@@H](O)C1 1099730205 SIKHWXLVBFESKU-STQMWFEESA-N 313.398 -0.733 30 20 DBED C#CCCCCC(=O)N[C@@H]1CCN(CCOCCO)C[C@H]1O 1099787311 VTIWDGSIEVURPE-HUUCEWRRSA-N 312.410 -0.260 30 20 DBED C#CCCCC(=O)N[C@H]1CCN(Cc2cn(C)nn2)C[C@H]1O 1099804958 VCRCWPKUPYAHFD-UONOGXRCSA-N 305.382 -0.330 30 20 DBED CC(C(=O)N[C@@H]1CCN(CC(=O)NCC#N)C[C@@H]1O)=C1CCC1 1099814115 ZVXVURPUHKZNNF-KGLIPLIRSA-N 320.393 -0.322 30 20 DBED C=CCN1CC[C@H](NC(=O)CCCN2C(=O)CCC2=O)[C@H](O)C1 1099864466 SIEPXFSCLWTBGL-QWHCGFSZSA-N 323.393 -0.347 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1CCN(CC(=O)NCC#N)C[C@@H]1O 1099944282 LLANAYKDXXMUCN-NEPJUHHUSA-N 308.382 -0.610 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)Cc2nc[nH]n2)[C@H](O)C1 1100070069 OQYQSQFXZAUDPQ-VXGBXAGGSA-N 309.370 -0.899 30 20 DBED C#CCNC(=O)CC(=O)NCC1CC(NCc2ccnn2C)C1 1100261720 LYZXXUIWXATIEO-UHFFFAOYSA-N 317.393 -0.456 30 20 DBED N#CCNC(=O)CNC1CC(CNC(=O)CCc2ncc[nH]2)C1 1100293257 MFXDANYBTIUPNY-UHFFFAOYSA-N 318.381 -0.534 30 20 DBED Cc1nnccc1C(=O)NCC1CC(NCC(=O)NCC#N)C1 1100480749 JKPBOJAWVIBHMG-UHFFFAOYSA-N 316.365 -0.477 30 20 DBED CCNC(=O)CC(=O)NCCN(CC)c1cncc(C#N)n1 1100496958 MJJUZROCNWCTAJ-UHFFFAOYSA-N 304.354 -0.183 30 20 DBED C=CCNC(=O)CNC1CC(CNC(=O)Cn2nccc2C)C1 1100714575 UYTVVJLNAXYXGF-UHFFFAOYSA-N 319.409 -0.022 30 20 DBED C[C@H](NC(N)=O)C(=O)NC[C@@H]1CCN(c2ncccc2C#N)C1 1100968624 JJTRFOAACFORQT-QWRGUYRKSA-N 316.365 -0.047 30 20 DBED CN(C)CCC(=O)N[C@H]1CC2(CN(CC#N)C2)n2ccnc21 1101641033 IGFMHFJIAVDGQU-LBPRGKRZSA-N 302.382 -0.070 30 20 DBED CNC(=O)CC(=O)NCC[C@@H]1CCN(c2ccc(C#N)nn2)C1 1102311742 GCBVEVWAPRGJON-LLVKDONJSA-N 316.365 -0.183 30 20 DBED COC[C@@H](C)C(=O)NC[C@@H]1CN(c2cnc(C#N)cn2)CCO1 1104309542 COTFOGMQLOALHA-DGCLKSJQSA-N 319.365 -0.048 30 20 DBED CCC(=O)N[C@@H](C)C(=O)N(C)[C@@H](C)CN=c1cc[nH]c(C#N)n1 1104852780 KILWSYGNNYPPEX-QWRGUYRKSA-N 318.381 -0.056 30 20 DBED C#CCNCC[C@@H]1CN(C(=O)Cn2c(O)nnc2O)C[C@H]1C 1104955234 PVFQYGYJMDFSSL-GHMZBOCLSA-N 307.354 -0.603 30 20 DBED CC(C)[C@H](CNC(=O)[C@H](C)NC(N)=O)N=c1cc[nH]cc1C#N 1105178395 XRYHZDRINCUANQ-GWCFXTLKSA-N 318.381 -0.015 30 20 DBED C#CCNC(=O)CC(=O)N(C)CCN(C)c1ncc(F)cn1 1105368686 WIOYGEKYMUDZPG-UHFFFAOYSA-N 307.329 -0.350 30 20 DBED C[C@H](C(=O)NC[C@@H](O)CNc1cncc(C#N)n1)n1cncn1 1105829646 VWCKJEFSRIRIIO-KOLCDFICSA-N 316.325 -0.910 30 20 DBED C=CCOCC(=O)N1C[C@@H](C)[C@H](CNCc2nnnn2C)C1 1105943089 USUDSXSFJOQPBL-VXGBXAGGSA-N 308.386 -0.403 30 20 DBED Cc1nn[nH]c1C(=O)NC[C@H](O)CNc1ccc(C#N)cn1 1106036207 WILSCGDAIUMZMJ-SNVBAGLBSA-N 301.310 -0.417 30 20 DBED Cc1cc(C#N)nc(NC[C@H](O)CNC(=O)c2cnco2)n1 1106041964 NFCWUQOHOIWVBO-SNVBAGLBSA-N 302.294 -0.153 30 20 DBED CN(C)CCCC(=O)NC[C@H](O)CNc1cnc(C#N)cn1 1106075458 DJNSDQGIZVVGQS-GFCCVEGCSA-N 306.370 -0.421 30 20 DBED CCC(=O)NCC(=O)NC/C=C\CNc1cnc(C#N)cn1 1107077892 DLECSHKWKVBMMS-ARJAWSKDSA-N 302.338 -0.041 30 20 DBED CN1C[C@@H](C(=O)NC/C=C/CNc2cnc(C#N)cn2)NC1=O 1107450272 CTRNAKZKZPKSSX-VUDBWIFFSA-N 315.337 -0.544 30 20 DBED C#CCNC(=O)CN1CCO[C@@](C)(CNC(=O)C(C)(F)F)C1 1107685076 FGGSZDKWMBAWRE-ZDUSSCGKSA-N 317.336 -0.402 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)[C@@H]2CCCN(C(N)=O)C2)C1 1108057589 ILBBDRCLWJFYJQ-CZUORRHYSA-N 322.409 -0.383 30 20 DBED CC#CCN1CCO[C@@](C)(CNC(=O)[C@]2(C)CCC(=O)N2)C1 1108193864 NUUJUUPTJIUOFB-HOTGVXAUSA-N 307.394 -0.115 30 20 DBED COC(=O)NCC(=O)N[C@@H](C)CN=c1cc(C)[nH]cc1C#N 1108266114 ZQPHTGOWNHNTQS-JTQLQIEISA-N 305.338 -0.044 30 20 DBED C=CCN1CCO[C@@](C)(CNC(=O)Cn2nc(C)ccc2=O)C1 1108354478 ILUOGRJFJSDOEV-INIZCTEOSA-N 320.393 -0.055 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)[C@@H]1CCC(=O)N(C)C1 1108410819 QGRJUCGMTLPZLT-WDEREUQCSA-N 316.365 -0.445 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)c2cn(C)c(=O)n2C)C1 1108425896 JHNUCWANSXOYRF-HNNXBMFYSA-N 306.366 -0.822 30 20 DBED C[C@@H](CN(C)c1cnc(C#N)cn1)NC(=O)[C@@H]1CCC(=O)NC1 1109304511 CIQMVGICVVDJFB-WDEREUQCSA-N 316.365 -0.185 30 20 DBED COC(=O)NCC(=O)N(C)CCCNc1cnc(C#N)cn1 1109373347 WPCSHKCAHOZOLI-UHFFFAOYSA-N 306.326 -0.035 30 20 DBED COC[C@H](C)C(=O)NC[C@@]1(O)CCN(c2cnc(C#N)cn2)C1 1111043720 LQIFXBPRPJEMJT-NHYWBVRUSA-N 319.365 -0.312 30 20 DBED N#Cc1nccnc1NCCN(CCO)C(=O)[C@H]1CCCO1 1111412777 DYGAEDBJMSERDE-GFCCVEGCSA-N 305.338 -0.240 30 20 DBED C#CCNC(=O)CN1CCC2(CC1)CN(C(C)=O)C[C@@H](C)O2 1111532412 XEGLPVILENWONT-CYBMUJFWSA-N 307.394 -0.162 30 20 DBED N#Cc1ccc(NCCN(CCO)C(=O)c2n[nH]cc2F)nn1 1111555066 MYLNKGZDXBMVQK-UHFFFAOYSA-N 319.300 -0.243 30 20 DBED CC(=O)NCC(=O)N1CCO[C@@H](CNc2ncccc2C#N)C1 1111929576 LNXWADDZALTEAT-ZDUSSCGKSA-N 317.349 -0.271 30 20 DBED CC[C@@H]1CCO[C@@H]1C(=O)N1CCN(CC(=O)NCC#N)CC1 1112982556 VLXVLRSHANOJQF-OCCSQVGLSA-N 308.382 -0.415 30 20 DBED Cc1nsc(N(C)[C@H](C)CNC(=O)Cn2ncnn2)c1C#N 1113722675 CZEMREZAWNEXBV-MRVPVSSYSA-N 320.382 -0.049 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3occc3C)[C@H]2C1 1113854704 MHPQTWBSHWYQDY-IMRBUKKESA-N 301.346 -0.003 30 20 DBED N#CCSCC(=O)N[C@H]1[C@@H]2CN(CCN3CCNC3=O)C[C@@H]21 1113897715 ZLYMZWBQMPUUIE-PJXYFTJBSA-N 323.422 -0.685 30 20 DBED COCC#CCN1C[C@@H]2C(NC(=O)c3nccnc3N)[C@H]2C1 1114056882 DLFNRCKXGOXCPQ-QWRGUYRKSA-N 301.350 -0.631 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)COC(C)(C)C)[C@@H]2C1 1114163066 AASMIZWENYCBDF-YNEHKIRRSA-N 321.421 -0.014 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)c3ccns3)[C@H]2C1 1114351756 QZDYDZKXSQHNCF-DCAQKATOSA-N 318.402 -0.059 30 20 DBED C[C@H](CCCNc1cncc(C#N)n1)NC(=O)[C@@H]1CNC(=O)N1 1115061662 BFZMLBVDNLVSIA-KOLCDFICSA-N 317.353 -0.274 30 20 DBED C=CCOCCN1C[C@H]2C(NC(=O)C(C)(C)NC(=O)NC)[C@@H]2C1 1115293927 FHINNLOSQHXSLJ-VXGBXAGGSA-N 324.425 -0.057 30 20 DBED C#CCNC(=O)CC(=O)N(C)C[C@@H](C)N=c1cc[nH]c(C#N)n1 1115685790 OGYDIQHLOPLSRT-LLVKDONJSA-N 314.349 -0.832 30 20 DBED C[C@@H](CN(C)C(=O)C[C@@H]1CCC(=O)N1)N=c1cc[nH]c(C#N)n1 1115782232 FTTGYENWNOIMIB-QWRGUYRKSA-N 316.365 -0.302 30 20 DBED Cc1cc(NC(=O)C(=O)N2C[C@H](C)[C@H](O)C2)n(CCC#N)n1 1116473896 SIHPBZPOFGBVPR-GXSJLCMTSA-N 305.338 -0.117 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)c2cnsn2)nn1 1121092217 KYXNAWNEZCWOOO-QMMMGPOBSA-N 305.323 -0.597 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)C[C@H]2COC(=O)C2)nn1 1121303877 RPMRJCAXWPXKRI-KOLCDFICSA-N 319.321 -0.810 30 20 DBED COc1cc(C(=O)NC[C@H](CO)Nc2cnc(C#N)cn2)on1 1121463870 IIZNPODLCVESQR-SECBINFHSA-N 318.293 -0.452 30 20 DBED COCCO[C@@H](C)C(=O)NC[C@H](CO)Nc1ccc(C#N)cn1 1122011832 DDQXSDHGJDZZPE-WCQYABFASA-N 322.365 -0.106 30 20 DBED COCCO[C@@H](C)C(=O)NC[C@@H](CO)Nc1ccc(C#N)nn1 1122014888 ZZVCAAPEMDDAOE-JQWIXIFHSA-N 323.353 -0.711 30 20 DBED CN1CC[C@@H](C(=O)NC[C@@H](CO)Nc2ccc(C#N)nc2)C1=O 1122431159 SVMNORMDWPVFCZ-STQMWFEESA-N 317.349 -0.679 30 20 DBED CC[C@@H]1CCO[C@@H]1C(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1 1122798687 AGJKKAZEJZTRBG-SUNKGSAMSA-N 319.365 -0.526 30 20 DBED C#Cc1cccc(NC(=O)CNC(=O)CN2C(=O)CCC2=O)c1 1123610348 DJICBIBJSFHWQT-UHFFFAOYSA-N 313.313 -0.128 30 20 DBED CNC(=O)CC(=O)N(C)C[C@@H](O)CNc1ccc(C#N)c(C)n1 1124255986 CCVALPJJCBVMAT-LBPRGKRZSA-N 319.365 -0.371 30 20 DBED CCN(CC)CC(=O)N(C)C[C@@H](O)CNc1ccc(C#N)nn1 1124364190 FERJWQBPLFUHMH-ZDUSSCGKSA-N 320.397 -0.079 30 20 DBED C#CCNC(=O)CC(=O)NCCNCCOC[C@@H]1CCCO1 1125998652 SIALLVNODGUQOX-ZDUSSCGKSA-N 311.382 -0.973 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@H]1CCCc2c[nH]nc21 1127339444 ZQJITTRFOLXFMH-LBPRGKRZSA-N 305.382 -0.162 30 20 DBED C=CCCNCc1cccc(N2CC[C@H](NC(=O)C(N)=O)C2)n1 1128118606 OKQSUGKCSNIGHM-ZDUSSCGKSA-N 317.393 -0.073 30 20 DBED C=CC(C)(C)CC(=O)NCCNCc1cc(=O)n(C)c(=O)n1C 1128258387 GASINCSXVAMBRD-UHFFFAOYSA-N 322.409 -0.108 30 20 DBED C[C@H](CC(N)=O)C(=O)NCc1cnn2c1CN(CC#N)CC2 1128431858 LXWBAVHJEUDBQV-SNVBAGLBSA-N 304.354 -0.650 30 20 DBED C#CCOCCC(=O)N1C[C@@H](NCC#N)[C@H](c2cn(C)cn2)C1 1130587490 PTCADPMBJPDJHZ-DZGCQCFKSA-N 315.377 -0.132 30 20 DBED C#CCN1CCOC[C@H]1c1n[nH]c(CNC(=O)[C@@H](C)COC)n1 1130835028 IZWZKVIWMPKLPL-RYUDHWBXSA-N 321.381 -0.290 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)C[C@H]1CCCC(=O)N1 1131110031 ZHAYVRWPAAQNRX-NWDGAFQWSA-N 310.398 -0.558 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@@H]1CCn2c(cnc2C)C1 1133865266 BPODUBDOIBRWHP-CYBMUJFWSA-N 317.393 -0.791 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)c1ncn(C)n1 1134260183 IMJHTFKFKNSOOX-WDEREUQCSA-N 306.370 -0.949 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)COC1CCOCC1 1134640821 MZYNCXYYWBHRDC-LBPRGKRZSA-N 313.398 -0.422 30 20 DBED C#CCN[C@@H](C)C[C@@H](C)NC(=O)CS(=O)(=O)CCOC 1134749828 ZRJDGQQNBPSMIJ-NWDGAFQWSA-N 304.412 -0.446 30 20 DBED CC(C)[C@@H](O)C(=O)N1CC2(CCN(CC(=O)NCC#N)C2)C1 1147476624 WQKBWMWPCVHCNK-CYBMUJFWSA-N 308.382 -0.823 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CN(Cc2cnn(C)n2)CCCO1 1149405389 BZXYCQODLMEPPN-WCQYABFASA-N 306.370 -0.318 30 20 DBED C#CCNC(=O)CN1CCCO[C@H](CNC(=O)C#CC(C)C)C1 1149674096 SMSOCJOWXHTBHQ-OAHLLOKOSA-N 319.405 -0.398 30 20 DBED COCCC1(NC(=O)[C@H]2CCN(C)C2=O)CCN(CC#N)CC1 1151281542 MKVQUBIYAJZYBH-CYBMUJFWSA-N 322.409 -0.024 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)c2ccnc(C)n2)C1=O 1151324934 QMWZLZBPFYQJGW-CYBMUJFWSA-N 303.366 -0.109 30 20 DBED C=CCNC(=O)CN(CC)[C@H](C)CNC(=O)[C@@H]1COCCO1 1152066849 VZLDJTJCGNEXBT-OLZOCXBDSA-N 313.398 -0.469 30 20 DBED N#CCNC(=O)CNCCNC(=O)CCc1cncc(F)c1 1153775072 LOBOCCWWEIZBEB-UHFFFAOYSA-N 307.329 -0.501 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)c1cncnc1O 1153957640 YQJTYYATAXVVFW-SNVBAGLBSA-N 320.353 -0.738 30 20 DBED C[C@H](NCCCNC(=O)c1cc(C#N)c[nH]1)C(=O)NC(N)=O 1156296796 XFWQRJMHJVQGQL-QMMMGPOBSA-N 306.326 -0.821 30 20 DBED CN(C)c1ccc(C(=O)NCCCNCC(=O)NCC#N)cn1 1161649343 CYLOQMRKHGIXBR-UHFFFAOYSA-N 318.381 -0.503 30 20 DBED C=CCC[C@@H](C)NCCCNC(=O)CNS(=O)(=O)N(C)C 1167421686 BHKKJEPJLNFLNJ-GFCCVEGCSA-N 320.459 -0.167 30 20 DBED C#CCNCC1(CCNC(=O)[C@@H](CCC(N)=O)NC(C)=O)CC1 1167466698 VZMHVTZPXLAGCT-CYBMUJFWSA-N 322.409 -0.734 30 20 DBED C=CCC[C@@H](C)NCCCNC(=O)C[C@H](NC(C)=O)C(N)=O 1167703628 BKXLOOIKKNBULJ-YPMHNXCESA-N 312.414 -0.183 30 20 DBED C[C@@H](CCCCNCC(=O)NCC#N)NC(=O)Cn1nccn1 1170998100 PBZDPSVNTIEXJS-LBPRGKRZSA-N 321.385 -0.818 30 20 DBED C=CCCCN1CCO[C@H]2CCN(C(=O)Cn3ncnn3)C[C@H]21 1177004805 CEYJJJLEOHRJLB-KGLIPLIRSA-N 320.397 -0.059 30 20 DBED C#CCNC(=O)CNCCCN(CC1CCCC1)C(=O)C(N)=O 1177397849 HNCUKMGIHMXAQS-UHFFFAOYSA-N 322.409 -0.780 30 20 DBED C#CCCCC(=O)N1CC[C@H](N[C@H](C)C(=O)NC(N)=O)[C@@H]1C 1178587216 CZVFHKQKEFDDGD-WOPDTQHZSA-N 308.382 -0.048 30 20 DBED Cc1nc(O)[nH]c1C(=O)N1CC[C@H](NCC(=O)NCC#N)[C@@H]1C 1178948735 OZAWXGDEKSVCQK-UWVGGRQHSA-N 320.353 -0.744 30 20 DBED C#CCNC[C@]1(C)CN(C(=O)CCS(=O)(=O)NC)C[C@H]1C 1181448459 PWIIDJIEOYRJQX-TZMCWYRMSA-N 315.439 -0.367 30 20 DBED CCS(=O)(=O)NCC(=O)N1C[C@@H](C)[C@](C)(CNCC#N)C1 1181647850 LALMSPXKYHBTAD-DGCLKSJQSA-N 316.427 -0.477 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)c2cc(C(N)=O)cn2C)C1 1183986146 YDDQSZWPFZBHNH-CYBMUJFWSA-N 318.377 -0.422 30 20 DBED C[C@@H]1CN(C(=O)c2nnc(O)nc2O)CC[C@H]1CNCC#N 1184734003 FWNJDULRDVIXMZ-BDAKNGLRSA-N 306.326 -0.506 30 20 DBED C[C@@H]1CN(C(=O)c2nc[nH]n2)CC[C@H]1CNCC(=O)NCC#N 1185358419 HBCMPQZIFOAROU-MNOVXSKESA-N 319.369 -0.868 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)C[C@H]2CCC(=O)N2)C1 1186258937 HNQJFDMJYVMZHM-VXGBXAGGSA-N 308.382 -0.852 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CN(Cc3nncn3C)C[C@H]21 1187882843 XOGZYZVUWRKVHL-MELADBBJSA-N 317.393 -0.114 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C2=CCCCCC2)C1 1192419669 FTMSWEFTKVCCID-HUUCEWRRSA-N 319.405 -0.212 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)[C@@H](CC)NC(C)=O)C1 1196338367 HLCZGEOXBYXYTM-IJLUTSLNSA-N 303.790 -0.185 30 20 DBED N#CCNC(=O)CNC1CCN(C(=O)c2cc[n+]([O-])cc2)CC1 1199177264 BMTMKZSECVPOFC-UHFFFAOYSA-N 317.349 -0.846 30 20 DBED CCN(C)C(=O)CNC[C@@H]1CN(C(=O)[C@H](C)C#N)CCCO1 1200115579 NTDXMNATSWQLEX-CHWSQXEVSA-N 310.398 -0.169 30 20 DBED C#CCNC(=O)CC(=O)N1CCC(NCc2nonc2C)CC1 1200170801 KIQAEAVIKKDJBT-UHFFFAOYSA-N 319.365 -0.402 30 20 DBED C#CCCCC(=O)N1CCC(NCCN2C(=O)CNC2=O)CC1 1200317569 WVKIGRJDXRRCQM-UHFFFAOYSA-N 320.393 -0.078 30 20 DBED Cc1cccn(CC(=O)N2CCCO[C@@H](CNCC#N)C2)c1=O 1200502034 VCFFUUZKRMDKGR-AWEZNQCLSA-N 318.377 -0.113 30 20 DBED CC#CCNC[C@H]1CN(C(=O)[C@@H](C)S(C)(=O)=O)CCCO1 1200816262 ZGSHNCUSXJKPKI-OLZOCXBDSA-N 316.423 -0.350 30 20 DBED COCC#CCN[C@H]1C[C@H](NC(=O)CNC(N)=O)C12CCC2 1202431012 YJTAVROLVYTLKB-RYUDHWBXSA-N 308.382 -0.679 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCCN(C(=O)COCC=C)C1 1207681043 ZHJSZQFFNSBSNM-UONOGXRCSA-N 307.394 -0.093 30 20 DBED C#CCOCCC(=O)N1CCC[C@H](N[C@H]2CCCNC2=O)C1 1208032555 SRIQBAYEMPTVBK-KBPBESRZSA-N 307.394 -0.115 30 20 DBED COCC(=O)N[C@H](C(=O)N1CCC[C@@H](NCC#N)C1)C(C)C 1210003050 ZYMGLKLUAHTTLO-OCCSQVGLSA-N 310.398 -0.122 30 20 DBED C=CCCCC(=O)N[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1OC 1213350229 NTXBKEGYHUZHAL-GHMZBOCLSA-N 312.370 -0.647 30 20 DBED C=CCOCCN1C[C@@H](NC(=O)CC(=O)N(C)C)[C@H](OC)C1 1213547238 KCABDDJWQOOZAB-CHWSQXEVSA-N 313.398 -0.517 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)COCC(F)F)C[C@H]1C 1215217696 SCNLJOYRTYHJFD-GHMZBOCLSA-N 317.336 -0.546 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)Cc2cnc[nH]2)C[C@H]1C 1215684990 LNOHXXJOXGMXTD-YRGRVCCFSA-N 317.393 -0.473 30 20 DBED C=CCOCCCC(=O)N[C@@H]1CN(CCOCCO)C[C@@H]1O 1219426676 KYEQQCNEKFEASS-KGLIPLIRSA-N 316.398 -0.861 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(C[C@@H](C)CC(C)C)C[C@@H]1O 1219487585 YAXFPTUMGWAJHC-ZNMIVQPWSA-N 323.437 -0.031 30 20 DBED CC#CCCCC(=O)N[C@@H]1CN([C@@H](C)C(=O)N(C)C)C[C@@H]1O 1220185584 HBYNGGGDIWPZFN-MJBXVCDLSA-N 309.410 -0.182 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)CCCCC(N)=O)C1 1220726195 MZNBTYJIAVYOGU-OLZOCXBDSA-N 313.398 -0.604 30 20 DBED CNC(=O)NC(=O)CN1CC[C@@H]2CN(C(=O)[C@H](C)C#N)[C@@H]2C1 1221446579 NKWOHSZTNQDRBR-GMTAPVOTSA-N 307.354 -0.866 30 20 DBED C=CCOCCN1CC[C@@H]2CCN(C(=O)[C@H]3CNC(=O)N3)C[C@@H]21 1223378856 OEVYHUIRTHKPHX-MCIONIFRSA-N 322.409 -0.207 30 20 DBED N#CCNC(=O)CN1CCC(NC(=O)CO[C@H]2CCOC2)CC1 1227353186 RSFRVUFUYBHETG-ZDUSSCGKSA-N 324.381 -0.988 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)c2cnc(C)n2C)CC1 1228834979 WQRWIOQRFBFHFK-UHFFFAOYSA-N 317.393 -0.328 30 20 DBED CC(=O)NCCNC(=O)C(=O)Nc1ccc(F)cc1OCC#N 1319138109 NQOJHDCCHBGFMY-UHFFFAOYSA-N 322.296 -0.081 30 20 DBED C=C(C)COCCNC(=O)C(=O)NCc1nnc2n1CCCC2 1321724429 HXTBUPHXMGJLBU-UHFFFAOYSA-N 321.381 -0.061 30 20 DBED N#CC1(NC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 1321995438 OYOAWAXOSYCHGB-ZJUUUORDSA-N 311.363 -0.806 30 20 DBED CC#CCCNC(=O)C(=O)NC[C@H]1CCCN1S(C)(=O)=O 1323632483 IEGQUZAUTOYQPL-LLVKDONJSA-N 315.395 -0.944 30 20 DBED C=CC[C@H](NC(=O)C1=NN(CCO)C(=O)CC1)C(=O)OCC 1323831539 ZPICEMAUMJXTLA-NSHDSACASA-N 311.338 -0.419 30 20 DBED COc1ncccc1CNC(=O)C(=O)N1CCO[C@@H](C#N)C1 1325536030 ZTVRFGKGWZPOBW-NSHDSACASA-N 304.306 -0.543 30 20 DBED C=CCn1c(O)nnc1S(=O)(=O)Cc1nnnn1C1CC1 1327717194 RSEULTFTZLUUHZ-UHFFFAOYSA-N 311.327 -0.535 30 20 DBED CC(C)[C@H](C(=O)O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1329579458 MOLSIJVBPCIUIO-GYXQTMOZSA-N 309.322 -0.014 30 20 DBED CCN(CCOCCO)C(=O)C(=O)N1CCC[C@H](CC#N)C1 1330415986 AMIXECMXZSXZKS-CYBMUJFWSA-N 311.382 -0.004 30 20 DBED C=CCN(C)C(=O)C(=O)N1CCC(N2CCN(C)CC2)CC1 1331936642 GRJSZSYDEWTCES-UHFFFAOYSA-N 308.426 -0.131 30 20 DBED C#CCN(C(=O)C(=O)NC[C@@H](C)CN1CCN(C)CC1)C(C)C 1333089600 RPARXKAMKFBNIW-OAHLLOKOSA-N 322.453 -0.144 30 20 DBED N#CCC1CCN(C(=O)C(=O)N[C@H]2CCS(=O)(=O)C2)CC1 1336319217 MDDDVRFWMOPALD-NSHDSACASA-N 313.379 -0.558 30 20 DBED C[C@@H](CN1CCOCC1)NC(=O)C(=O)N1CCC[C@@](C)(C#N)C1 1340480344 WWVGFKANDBHOOU-BBRMVZONSA-N 322.409 -0.024 30 20 DBED CC(C)c1noc(CCNC(=O)C(=O)N2CCO[C@H](C#N)C2)n1 1342057711 RJNASSBEKPVIBH-SNVBAGLBSA-N 321.337 -0.397 30 20 DBED C#CCOCCNC(=O)C(=O)N1CC[S@](=O)[C@H](C)[C@H]1C 1346543390 NCSZQEYVZWQFGL-HZNYWTHISA-N 300.380 -0.880 30 20 DBED CN1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@](O)(CC#N)C3)C[C@@H]21 1349354373 FIIMFPFBQVWGNE-TYNCELHUSA-N 306.366 -0.974 30 20 DBED C[C@H](NC(=O)C(=O)N1CCC[C@H](CC#N)C1)[C@H]1CN(C)CCO1 1350823282 RGYSSEIVESYJOL-BFHYXJOUSA-N 322.409 -0.026 30 20 DBED C[C@H]1C[C@H](CNC(=O)Cn2cc(C#N)c(O)nc2=O)CCO1 1362555008 KCNNVYQBCWAAJC-VHSXEESVSA-N 306.322 -0.248 30 20 DBED N#CCC1(CN2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)CC1 1364375416 KROZJNLHGRWKAW-OLZOCXBDSA-N 313.423 -0.544 30 20 DBED C[C@H]1CCN(C(=O)NCCn2cnc(C#N)n2)CC[S@@]1=O 1365586924 PSVPUMWOTGPJBL-CWKPULSASA-N 310.383 -0.298 30 20 DBED C[C@@H](C#N)C(=O)NC1CN(C(=O)c2cnc3[nH]c(O)nc3c2)C1 1374750334 MZLRADMGCDXCOG-ZETCQYMHSA-N 314.305 -0.236 30 20 DBED CCN1CCO[C@@H](C(=O)NCC2(NC(=O)[C@@H](C)C#N)CC2)C1 1378847112 NFTDPPNSYKUWMO-NWDGAFQWSA-N 308.382 -0.368 30 20 DBED CC(=O)N[C@@H](C)C(=O)NC[C@H](C)NC(=O)c1cc(C#N)c[nH]1 1386638423 ZXYDBARPTYCKRI-IUCAKERBSA-N 305.338 -0.355 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C(=O)C[C@@H]1CCC(=O)N1)C1CC1 1387525036 AMPUXEARKJDGJN-QWRGUYRKSA-N 306.366 -0.078 30 20 DBED N#Cc1ccccc1CN1CC(O)(CNC(=O)c2cnn[nH]2)C1 1393329553 UULHBFMBHQNTHG-UHFFFAOYSA-N 312.333 -0.347 30 20 DBED CC(=O)NCC(=O)NC1CC(N(C)C(=O)c2cc(C#N)c[nH]2)C1 1396180201 QIYQSUURLCMTDI-UHFFFAOYSA-N 317.349 -0.258 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)CCc2ccncn2)C1 1396431896 ZEJLZGWCDLYRME-RTXFEEFZSA-N 317.349 -0.743 30 20 DBED C[C@@H](C(=O)N[C@H]1C[C@@H](CNC(=O)[C@H](C)C#N)C1)S(C)(=O)=O 1396536949 DYUATTDFFJHRTL-YTWAJWBKSA-N 315.395 -0.410 30 20 DBED COCC1(C(=O)N2CC(NC(=O)[C@H](C)C#N)C2)CCOCC1 1398678722 DLZLODYRRAUEOG-LLVKDONJSA-N 309.366 -0.084 30 20 DBED C[C@@H](CNC(=O)c1c[nH]c(C#N)c1)NC(=O)c1cnc(O)n1C 1400275157 UJGPKWCVHDTHAV-QMMMGPOBSA-N 316.321 -0.126 30 20 DBED C[C@@H](C#N)C(=O)NC1CN([C@@H](C)C(=O)NC(=O)NC2CC2)C1 1400326989 CDPNBWYNZIGBEJ-IUCAKERBSA-N 307.354 -0.677 30 20 DBED CNC(=O)NCC(=O)N[C@H](CNC(=O)[C@H](C)C#N)C1CCCC1 1400833990 JJZCZMOFVPEFHZ-ZYHUDNBSSA-N 323.397 -0.134 30 20 DBED C[C@H](C#N)C(=O)NC1CN(CC(=O)N(C)CC(F)(F)F)C1 1404740649 GBQFFPRWABJPNL-MRVPVSSYSA-N 306.288 -0.033 30 20 DBED C[C@@H](C#N)C(=O)NCC1CN(C(=O)COCc2ccnn2C)C1 1409176047 QDOGSWLXRWUMMZ-NSHDSACASA-N 319.365 -0.329 30 20 DBED CC(=O)NCC(=O)N(C)C[C@H]1CCN1C(=O)c1ccc(C#N)[nH]1 1414102380 BWAGEHXUQCDSIY-GFCCVEGCSA-N 317.349 -0.305 30 20 DBED CCc1nnc(N(C)C[C@H](C)C#N)n1CCNS(C)(=O)=O 1417490744 UKYMIFAJMOCBJE-SNVBAGLBSA-N 314.415 -0.014 30 20 DBED CCCNC(=O)[C@H](C)N1CCN(CCNC(=O)[C@H](C)C#N)CC1 1419134450 UAQCDAQUBSQFBW-KGLIPLIRSA-N 323.441 -0.205 30 20 DBED C=C(Cl)CNC[C@H](C)NC(=O)CN1CCC(=O)NC1=O 1422727689 AWTKERFWWMBMDY-VIFPVBQESA-N 302.762 -0.225 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)NC1CN(c2ccncn2)C1 1424540694 UXNDMOXHLYOMEU-NSHDSACASA-N 324.410 -0.019 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1cnn2c1OCCC2 1433316142 CQBUTTRNTUTPFR-ZJUUUORDSA-N 321.337 -0.968 30 20 DBED C=C(Cl)CN(C)[C@H](C)CNC(=O)[C@@H]1CC(=O)NC(=O)N1 1448095759 VXGDMYMGEDYVPS-BDAKNGLRSA-N 302.762 -0.227 30 20 DBED COCCn1cc(C(=O)N(C)CCNC(=O)[C@@H](C)C#N)nn1 1449199187 YNCHHJCWRKQMNP-JTQLQIEISA-N 308.342 -0.728 30 20 DBED C[C@@H](C#N)C(=O)N(C)C[C@H]1CCCN1C(=O)Cn1cncn1 1449476066 WCHWUBWVCCOPTK-NWDGAFQWSA-N 304.354 -0.113 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC[C@H](NC(=O)C2(C(N)=O)CC2)C1 1479962450 VAHQBBMPEVCOPT-MNOVXSKESA-N 308.382 -0.867 30 20 DBED C=C(Cl)CNC[C@@H](C)NC(=O)CCn1ncn(C)c1=O 1483153875 YWSFDIPCPCVPRA-SNVBAGLBSA-N 301.778 -0.181 30 20 DBED C=CCNC(=O)[C@H](C)N1CC[C@H](NC(=O)Cc2ccn(C)n2)C1 1490538794 CVMBPVYKPCUYAV-JSGCOSHPSA-N 319.409 -0.156 30 20 DBED C[C@@H](C#N)C(=O)NC1CN(C(=O)c2cnc3c(c2)nnn3C)C1 1498383029 BYNHLWZTRWHNAZ-QMMMGPOBSA-N 313.321 -0.536 30 20 DBED C=CCn1c([C@H](C)CO)nnc1N1CCO[C@@H](CNC(C)=O)C1 1520497023 LJSPOHQFOISNJG-YPMHNXCESA-N 323.397 -0.099 30 20 DBED C[C@@H](C#N)C(=O)NC1CC2(C1)CC(NC(=O)[C@H]1COC(=O)N1)C2 1522482012 NROHZUALKCJLEE-VGWZQHFISA-N 320.349 -0.202 30 20 DBED Cc1cc(C#N)cnc1C(=O)N[C@@H](Cn1cncn1)C(=O)O 1571069064 BVQYYEVWLAJSGU-JTQLQIEISA-N 300.278 -0.264 30 20 DBED C[C@@H](C#N)C(=O)NC1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1573575984 CGNCDVAXNBUYFF-ZETCQYMHSA-N 314.309 -0.705 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](C)N(C)c1cnc(-c2nn[nH]n2)cn1 1573577221 NQXDSUJKLCMHHW-DTWKUNHWSA-N 315.341 -0.243 30 20 DBED N#Cc1cc(NC(=O)N2CCN[C@H]3CS(=O)(=O)C[C@H]32)ccn1 1580061938 BMXREKGDJORRMP-NWDGAFQWSA-N 321.362 -0.444 30 20 DBED C[C@@H](C#N)C(=O)NC[C@]1(O)CCN(c2ccnc(C(=O)O)n2)C1 1603130547 YFMYLOZPJKPTSC-LKFCYVNXSA-N 319.321 -0.608 30 20 DBED C=CCN1CC[C@H](N(C)CCCNC(=O)C2(C(N)=O)CC2)C1=O 1752054762 SQEWWDPXVPQQJY-LBPRGKRZSA-N 322.409 -0.523 30 20 DBED C[C@H](CCNC(=O)c1cc(C#N)c[nH]1)N[C@@H]1CCC(=O)NC1=O 1753004206 SAYRUTAABSQGGE-MWLCHTKSSA-N 317.349 -0.210 30 20 DBED C=CCOCC(=O)NC[C@@H]1CCCN1Cc1nc(=O)n(C)[nH]1 1753098665 XOPHWZZPNGCNBB-NSHDSACASA-N 309.370 -0.608 30 20 DBED C=CCN1CC[C@H](NCCN(C)C(=O)[C@]2(C)CCC(=O)N2)C1=O 1753229874 XQPAXVVRKNCLRO-LRDDRELGSA-N 322.409 -0.510 30 20 DBED C#CCNC(=O)CN1CC(NC(=O)c2ccc(Cl)cn2)C1 1753392014 HNYSQTUGQSMEQO-UHFFFAOYSA-N 306.753 -0.102 30 20 DBED CC#CCNC[C@H](O)CNC(=O)[C@@H]1CNC(=O)c2ccccc21 1753914053 OZAZDGXPXDNSMO-SWLSCSKDSA-N 315.373 -0.396 30 20 DBED CCn1nc(C(=O)NC/C=C/CNCC#CCOC)ccc1=O 1754184459 ILWVFVKKRLVGMS-SNAWJCMRSA-N 318.377 -0.211 30 20 DBED C#CCO[C@H](C)C(=O)N(C)CCCN[C@H](C)c1nnnn1C 1754370481 CYWBRYOFMBPVRN-VXGBXAGGSA-N 308.386 -0.253 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@H](NC(=O)c1cnon1)C1CC1 1754455170 NHUYVLQHXKOHBA-KOLCDFICSA-N 305.338 -0.695 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CNC(=O)Cc1[nH]cnc1C 1754500249 HULCYDVYBMSVCP-GFCCVEGCSA-N 303.366 -0.799 30 20 DBED C#CCNC(=O)[C@@H](C)NC1(CNC(=O)c2n[nH]cc2C)CC1 1754514023 NFUPDQBIMJTPGY-LLVKDONJSA-N 303.366 -0.292 30 20 DBED C#CCNC[C@H](NC(=O)CCS(=O)(=O)NC)C1CCCC1 1754647156 MCFNKEGTDUDFGN-ZDUSSCGKSA-N 315.439 -0.177 30 20 DBED C#CCNC(=O)CN[C@H](C)[C@H]1CCN(C(=O)c2cn[nH]c2)C1 1754787378 JITDZAXDGZFPSV-NEPJUHHUSA-N 303.366 -0.401 30 20 DBED C[C@@H](NCC(=O)NCC#N)[C@@H]1CCN(C(=O)Cc2cnc[nH]2)C1 1754799421 MQRAKWQFMGEAPM-VXGBXAGGSA-N 318.381 -0.581 30 20 DBED CC#CCNCCN(CCO)C(=O)c1cnc2cccnn12 1754893265 PTNRLXJAWYHIDC-UHFFFAOYSA-N 301.350 -0.223 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@@H]1CN(C(=O)CCCF)CCO1 1755010294 BOPURPBJZXLGGH-QWHCGFSZSA-N 313.373 -0.309 30 20 DBED C=CCNC(=O)CN[C@H]1CN(C(=O)c2cnn(C)n2)C[C@@H]1C 1755118739 RUXARUKUQVMZLI-JQWIXIFHSA-N 306.370 -0.833 30 20 DBED C#Cc1ccc(C(=O)N[C@@H](C)[C@H](C)NCC(=O)NC(N)=O)cn1 1755263589 NRCPBXUJLAWXSX-UWVGGRQHSA-N 317.349 -0.646 30 20 DBED C=C(C)CN1CC(CCO)(NC(=O)[C@H]2CC(=O)N(CC)C2)C1 1755333271 DEOGRWVESOESJK-ZDUSSCGKSA-N 309.410 -0.016 30 20 DBED C[C@H](C#N)C(=O)NCCOCCN(C)C(=O)[C@@H]1CCC(=O)NC1 1756381761 OFVAYLOCJCEVSH-VXGBXAGGSA-N 324.381 -0.737 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H](CO)CNC(=O)c1cnnc(C)c1 1756516272 YXEWGZPCBYBOSG-DOMZBBRYSA-N 322.365 -0.681 30 20 DBED C[C@@H](C(=O)N[C@H](CO)CNC(=O)C#CC1CC1)c1cnn(C)c1 1756520035 SUTZBLQWOOHVEV-RISCZKNCSA-N 318.377 -0.470 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C[C@@H]1CCCCN1C(=O)C(N)=O 1757548953 OLNOESUFEHRSOC-NEPJUHHUSA-N 309.366 -0.651 30 20 DBED Cn1nccc1[C@H](NS(=O)(=O)c1ccc(C#N)cn1)C(=O)O 1777565139 NQOHZRJTBCFSER-NSHDSACASA-N 321.318 -0.209 30 20 DBED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(OC)OC 1793173347 KEIBRSSQCKUSKN-DABQJJPHSA-N 324.377 -0.392 30 20 DBED COCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)S)C2 1795206481 AOGAPAOOAQSIKA-GUDRVLHUSA-N 302.396 -0.459 30 20 DBED NC(=O)CCC(=O)N1CC2(CCCN2C(=O)C#CC2CC2)C1 1841542093 LSTGCFZCVYCGRJ-UHFFFAOYSA-N 303.362 -0.131 30 20 DBED C#CC(=O)N1CC2(CCCN2C(=O)c2cnc(O)nc2O)C1 1843353278 XZMJZHJRNKVRDK-UHFFFAOYSA-N 302.290 -0.662 30 20 DBED CCN(CCC#N)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O 42454361 OWJDHEOQTZIQBF-UHFFFAOYSA-N 300.340 -0.992 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)Cn2ccccc2=O)CC1 73395223 QBJHVMIDJDRERW-UHFFFAOYSA-N 318.377 -0.705 30 20 DBED C/N=C(/NCCS(=O)(=O)N1CCSCC1)NC(C)C 78284777 BQTOWSVGYUYGNG-UHFFFAOYSA-N 308.473 -0.062 30 20 DBED CN1CCO[C@@H](C(=O)N(CCC#N)CCN2CCOCC2)C1 172726825 DELLAQSFBVURHW-CQSZACIVSA-N 310.398 -0.609 30 20 DBED C=CCN(CC=C)C(=O)CN1CCC[C@]2(C1)NC(=O)NC2=O 192686656 NJTUTSRCBPCOPQ-OAHLLOKOSA-N 306.366 -0.139 30 20 DBED CN(CC(=O)N1CCO[C@H](C#N)C1)c1ncnc2nc[nH]c12 264449491 CIAILTZAEWYDTC-SECBINFHSA-N 301.310 -0.460 30 20 DBED N#Cc1ccc(NC(=O)C(=O)N(CCO)CCO)cc1Cl 271761618 GGAJVLJBBWMMGY-UHFFFAOYSA-N 311.725 -0.037 30 20 DBED COC[C@@](C)(NS(=O)(=O)c1cccnc1C#N)C(=O)OC 277223127 RZJBDLZQGDEVQO-GFCCVEGCSA-N 313.335 -0.190 30 20 DBED CNS(=O)(=O)N1CCN(C(=O)c2ccc(C#N)cc2)CC1 282892314 KVHSWZOGRJEJHW-UHFFFAOYSA-N 308.363 -0.220 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)C2(C(C)=O)CC2)CC1 293103433 OXSJTZNHRUZOIG-UHFFFAOYSA-N 305.378 -0.361 30 20 DBED C#CCN(C)CCCNC(=O)[C@@](C)(O)Cn1c(C)cccc1=O 294087370 XFHVLUFYDZGCEZ-KRWDZBQOSA-N 319.405 -0.021 30 20 DBED C=CCN(C(=O)CN1CSCC1=O)[C@@H]1CCS(=O)(=O)C1 299155909 MVUQOTHABIKRRI-SNVBAGLBSA-N 318.420 -0.279 30 20 DBED COC[C@@H](C)N/C(N)=N/CCS(=O)(=O)N1CCSCC1 304742620 CSSCBCZNQFZYQB-SNVBAGLBSA-N 324.472 -0.696 30 20 DBED CS(=O)(=O)N1CCC[C@H](N/C(O)=N/CCn2cncn2)C1 328772376 RLGYQRJKSYLJHM-JTQLQIEISA-N 316.387 -0.794 30 20 DBED CN1CC[C@H](/N=C(/O)N2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)C1=O 329082819 SHRGZZFHXIBCMP-RVMXOQNASA-N 311.382 -0.007 30 20 DBED CC(C)N1C(=O)C[C@H](/N=C(/O)CN2CCN(C)C(=O)C2)C1=O 329540660 CZUUIUGQQMLCGW-JTQLQIEISA-N 310.354 -0.747 30 20 DBED N#C[C@H]1CN(S(=O)(=O)NCCNc2ccccn2)CCO1 336939428 IGRDILOBDRQQLK-NSHDSACASA-N 311.367 -0.448 30 20 DBED Cc1nnc([C@@H](C)NS(=O)(=O)N2CCO[C@@H](C#N)C2)s1 336946037 NZCWBBMQLDSCQX-APPZFPTMSA-N 317.396 -0.034 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@@H](C)c1ncnn1C 337193429 UNZLUSQXBXCVOR-JTQLQIEISA-N 316.387 -0.427 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N1CCC[C@H](S(N)(=O)=O)C1 337772855 OVZPNMCIZQRMPP-ZJUUUORDSA-N 324.428 -0.782 30 20 DBED N#CCNC(=O)CNC(=O)NCc1ccc2c(c1)OCCO2 343800015 XVRWAUQVOFDGQE-UHFFFAOYSA-N 304.306 -0.103 30 20 DBED C=CCOCC(=O)NC[C@H]1CCCCN1S(=O)(=O)N(C)C 346071684 MZBVYHYECSVSRH-GFCCVEGCSA-N 319.427 -0.034 30 20 DBED CCN(CCC#N)S(=O)(=O)N1C[C@@H]2[C@H](CCS2(=O)=O)C1 352645783 NLCJBMQSTLOZEG-GHMZBOCLSA-N 321.424 -0.414 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CCCCN1S(=O)(=O)N(C)C 356462871 VXUIDXBLMNMQID-QWRGUYRKSA-N 302.400 -0.077 30 20 DBED N#Cc1ccc([C@@H](Sc2nc(=N)[nH]c(=N)[nH]2)C(N)=O)cc1 359693393 HHKCXNQSFKDFKV-MRVPVSSYSA-N 301.335 -0.113 30 20 DBED C=CCOC[C@H](NC(=O)CS(=O)(=O)C(C)C)C(=O)OC 360738898 QIXOYEJUHRTXDD-JTQLQIEISA-N 307.368 -0.330 30 20 DBED C=CCOC[C@@H](NC(=O)c1ccc(C(=O)NC)nc1)C(=O)OC 360743735 GFYZAXGQJJUALU-GFCCVEGCSA-N 321.333 -0.085 30 20 DBED CC(C)(C#N)CC(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 375750252 TTXZUYDIHXVYKS-CYBMUJFWSA-N 322.409 -0.024 30 20 DBED COC(=O)[C@H]1CCC[C@H]1S(=O)(=O)N1CCN(CC#N)CC1 408374158 JDQVQOBBGGXNSK-NWDGAFQWSA-N 315.395 -0.201 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@H](CO)[C@H]2C)C1=O 427845280 XEDJNSHBGPRNDN-ZJUUUORDSA-N 309.322 -0.808 30 20 DBED N#CCCn1ccc(NC(=O)C(=O)N2CCO[C@@H]3CCC[C@@H]32)n1 436419768 KRMZRNWAIWYYJJ-NWDGAFQWSA-N 317.349 0.515 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@]2(C)CCCO2)C1=O 446304376 LQGUCAJXJNFVRO-AWEZNQCLSA-N 309.322 -0.352 30 20 DBED CCc1nncn1CCNS(=O)(=O)N(CC)CCC#N 548757955 NLZTYGCCCBALGW-UHFFFAOYSA-N 300.388 -0.090 30 20 DBED N#Cc1cccc(NC(=O)NC[C@@H]2CS(=O)(=O)CCO2)n1 583933120 AMLPSOCLHNPOTQ-SNVBAGLBSA-N 310.335 -0.112 30 20 DBED Cn1cc(C#N)c(NC(=O)N2CCC(n3cnnc3O)CC2)n1 585797284 OTUYQWKKCVEOOZ-UHFFFAOYSA-N 316.325 0.458 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N1CC[C@@H]2NC(=O)CC[C@H]2C1 594849435 LTHDCWKIOLDUSB-WOPDTQHZSA-N 314.411 -0.077 30 20 DBED C[C@H]1CO[C@H](C)CN1CCNC(=O)[C@H](C)n1cnc(C#N)n1 597992646 CIKFOZNDGHTBKH-TUAOUCFPSA-N 306.370 -0.064 30 20 DBED N#CCCn1ccc(NC(=O)NCCN2C(=O)CNC2=O)n1 610326178 MEYMLGFMKNJITD-UHFFFAOYSA-N 305.298 -0.530 30 20 DBED C=C[C@@H](O)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCC(N)=O 612349223 BCBFYXXUHATGQN-CHWSQXEVSA-N 319.361 -0.748 30 20 DBED N#CCN(CC(=O)O)S(=O)(=O)c1ccc2c(c1)C(=O)OC2 739087043 SXDDXZMXQCPNOB-UHFFFAOYSA-N 310.287 -0.044 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)[C@]1(C)CCN(C(C)=O)C1 747093117 UCLGPYSPBDMWEK-CQSZACIVSA-N 311.338 -0.200 30 20 DBED C#CCOCCNC(=O)N1CCN(C(=O)CN(CC)CC)CC1 753376018 AVXAAPFDJUBDKH-UHFFFAOYSA-N 324.425 -0.168 30 20 DBED C#CCCN1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 762294267 ORYNCPLPLLAJIN-AWEZNQCLSA-N 307.354 -0.207 30 20 DBED CC(C)NS(=O)(=O)NCCN/C(O)=C1/N=CC=CC1=O 778623720 PJWNTWDWNKTCGM-KHPPLWFESA-N 302.356 -0.655 30 20 DBED C=CCN(CC(=O)OCC)C(=O)Cn1cc(C(=O)OC)nn1 781348901 NOIYJJWYPZOHTA-UHFFFAOYSA-N 310.310 -0.358 30 20 DBED C#C[C@@H](C)NC(=O)C(=O)Nc1ccc(CC)c(S(N)(=O)=O)c1 784850339 SJCPADIZIHADGS-SECBINFHSA-N 323.374 -0.027 30 20 DBED C#C[C@H](NC(=O)C(=O)NCCc1ccn(C)n1)[C@H]1CCCO1 809175949 ICCQMJUUDVYQKP-QWHCGFSZSA-N 304.350 -0.624 30 20 DBED C=C[C@H](O)C(=O)OCC(=O)N1CCN(C(=O)OCC)CC1 814552045 ZZYBAIFASFCCMV-JTQLQIEISA-N 300.311 -0.623 30 20 DBED C=CCN(C(=O)C(=O)N1CCN([C@@H]2CCNC2)CC1)C(C)C 817931889 OLDSDIUFNNTDCS-CQSZACIVSA-N 308.426 -0.085 30 20 DBED C#CCN1CCN(C(=O)c2c3n(c(=O)n2C)CCCC3)CC1 823305874 OLZRDKFCXLNABM-UHFFFAOYSA-N 302.378 -0.086 30 20 DBED N#Cc1ncn(CCn2cc([N+](=O)[O-])cn2)c1-c1nn[nH]n1 826388222 NRHXYKDJKOXUAE-UHFFFAOYSA-N 300.242 -0.260 30 20 DBED C[C@H](CC(=O)NCCN)/N=C1/NS(=O)(=O)c2ccccc21 832205298 ZKPHOSVKNMSQEU-SECBINFHSA-N 310.379 -0.421 30 20 DBED C=CCNC(=O)CNS(=O)(=O)c1csnc1C(=O)O 833376827 RPUJCBYZYRIXMR-UHFFFAOYSA-N 305.337 -0.578 30 20 DBED CC[C@@H](N)CNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 834827943 YKFJLVXILPCPIY-SNVBAGLBSA-N 324.406 -0.031 30 20 DBED C[C@@H]1CNCCN1C(=O)C(=O)NCCNc1ncccc1C#N 842174268 CXZXBFQVRGTYAG-LLVKDONJSA-N 316.365 -0.698 30 20 DBED CN(CCC#N)S(=O)(=O)N1CCC(N2CCOC2=O)CC1 851857705 RDWPPPPQPZBIOJ-UHFFFAOYSA-N 316.383 -0.007 30 20 DBED CCN(CCC#N)S(=O)(=O)N1C[C@@H]2CN(C(C)=O)C[C@@H]2C1 882633833 DBZYNBRISHCHMD-BETUJISGSA-N 314.411 -0.123 30 20 DBED C#CC1(O)CN(C(=O)N[C@@H]2CCN(C3CCN(C)CC3)C2)C1 893022891 NWNNDRWBAMAUTC-CYBMUJFWSA-N 306.410 -0.456 30 20 DBED CNC(=O)CN1CCN(C(=O)c2cccc(C#CCO)c2)CC1 900959113 VMKUBRPZMLKKDS-UHFFFAOYSA-N 315.373 -0.466 30 20 DBED CCOC(=O)c1c(S(=O)(=O)NCC#CCO)n[nH]c1C 912557108 RSTQDWBWOZUUKZ-UHFFFAOYSA-N 301.324 -0.831 30 20 DBED C[C@H](C(=O)OCC(=O)N[C@](C)(C#N)C1CC1)N1C(=O)CCC1=O 919259946 IKMJFWIBDJUZLA-RFAUZJTJSA-N 321.333 -0.124 30 20 DBED C=CCOC[C@@H]1NC(=O)N(CCCS(=O)(=O)CC)C1=O 927731041 CJFUWUXNZKXQTF-JTQLQIEISA-N 304.368 -0.066 30 20 DBED NC(=O)C1(C(=O)N2CCCN(C(=O)C#CC3CC3)CC2)CC1 941001224 NKNOFZVXMLRXTC-UHFFFAOYSA-N 303.362 -0.274 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@H](CNC(=O)c2cc[n+]([O-])cc2)C1 944465284 IUXUGCHDNSIIPH-DGCLKSJQSA-N 318.333 -0.563 30 20 DBED Cn1cnc(C(=O)N2CC[C@@H]2CNC(=O)c2ccc(C#N)[nH]2)n1 949452811 QXKQVLOAVLGEPP-SNVBAGLBSA-N 313.321 -0.341 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H](NC(=O)c2ccc(=O)n(C)n2)C1 951873057 SJAYZKQEXQSGTQ-MNOVXSKESA-N 317.349 -0.339 30 20 DBED C[C@H](C#N)C(=O)N1CC(N(C)C(=O)C[C@H]2CCCC(=O)N2)C1 954885655 JWFGUVYYGGRORZ-GHMZBOCLSA-N 306.366 -0.126 30 20 DBED N#CCN1C[C@H](O)[C@H](CNC(=O)c2csc3cncn23)C1 958454007 SCDCGWHRKOUNNV-KOLCDFICSA-N 305.363 -0.058 30 20 DBED Cn1nnc(CN2C[C@@H]3C(NC(=O)c4c[nH]c(C#N)c4)[C@H]3C2)n1 958617025 AJVLCBIIJSZOJZ-QWRGUYRKSA-N 312.337 -0.730 30 20 DBED C#CCCN1C[C@H]2[C@H](NC(=O)[C@@H]3CCc4nnn(C)c4C3)[C@H]2C1 961600992 PVMSGMAXOZUYTB-FOCJUVANSA-N 313.405 -0.010 30 20 DBED Cn1nnc(CNCC2CC(NC(=O)c3ccc(C#N)[nH]3)C2)n1 961731420 MMRWPMXPAYBNDC-UHFFFAOYSA-N 314.353 -0.292 30 20 DBED C=C(C)CCN1C[C@H]2C(NC(=O)CN3CC(=O)N(C)C3=O)[C@@H]2C1 962289280 RTNYGAJJQXBTPB-VXGBXAGGSA-N 320.393 -0.107 30 20 DBED CN([C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1)[C@@H]1CCNC1=O 971375940 FFQIKTRAHXQAEW-QWHCGFSZSA-N 301.350 -0.079 30 20 DBED C=CCN1CC[C@@H](N(C)[C@H]2CCN(C(=O)c3cnn[nH]3)C2)C1=O 971850258 HJRJCLICCQEYLJ-WCQYABFASA-N 318.381 -0.262 30 20 DBED C=C(C)CN1C[C@H]2CC[C@H]1CN2C(=O)CN1CC(=O)NC1=O 971928261 IGKXOZTYAGKSDV-NWDGAFQWSA-N 306.366 -0.211 30 20 DBED Cc1c(C(=O)N[C@H]2[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]32)nnn1C 976307920 HKBXWLBAMASIRB-JYAVWHMHSA-N 313.361 -0.276 30 20 DBED CC1(C)CN(CC#N)C[C@H]1NC(=O)C1CC2(C1)NC(=O)NC2=O 977310257 NKLNPPNYJJKULZ-KGXJWFGYSA-N 319.365 -0.675 30 20 DBED N#CCN1C[C@H]2C(CNC(=O)c3cnc4n3CCOC4)[C@@H]2C1 978302129 JDDRZKNUAXSQMC-RYUDHWBXSA-N 301.350 -0.156 30 20 DBED CN1C(=O)CC[C@H]1C(=O)NC[C@H]1CCN(C(=O)C#CC2CC2)C1 982738153 DCFZHKRCOYQOJE-KGLIPLIRSA-N 317.389 -0.015 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)C(C)(C)C(N)=O)C[C@@H]2C1 986262292 ZOZODHREWLVSAA-TUAOUCFPSA-N 320.393 -0.036 30 20 DBED C[C@H]1[C@@H](NCC#N)CCN1C(=O)Cn1nc2n(c1=O)CCCC2 987313623 PGULRVQMSFJVJC-RYUDHWBXSA-N 318.381 -0.516 30 20 DBED N#Cc1cc(C(=O)N2CC(NC(=O)c3ccc(O)nn3)C2)c[nH]1 990148329 YTPSTDWWRVTLNE-UHFFFAOYSA-N 312.289 -0.364 30 20 DBED N#CCN1CC[C@]2(NC(=O)CN3CCNC(=O)C3)CCC[C@H]12 992086628 SBSQAJFWNBDOAF-SWLSCSKDSA-N 305.382 -0.945 30 20 DBED C=CCOc1ccccc1C(=O)NC1CN(C(=O)C(N)=O)C1 995127045 GKAAFBZCELWHHW-UHFFFAOYSA-N 303.318 -0.323 30 20 DBED C#CCN1CCC(C(=O)N2CC(NC(=O)c3nc[nH]n3)C2)CC1 997817156 QFJBRUIHMHXJNR-UHFFFAOYSA-N 316.365 -0.910 30 20 DBED C#CCN1CCC(NC(=O)CN2C(=O)CC(C)(C)C2=O)CC1 1002814939 JGQZYMYMZHTPJV-UHFFFAOYSA-N 305.378 -0.015 30 20 DBED C#CCN1CCC(N(C)C(=O)[C@H]2CCN(C)S2(=O)=O)CC1 1006119413 CAUUDJMHJFFQSS-CYBMUJFWSA-N 313.423 -0.424 30 20 DBED C=CCn1cc(C(=O)N2CCN(C(=O)CC(C)(C)O)CC2)nn1 1011065927 XHUKMMJLNPWMNJ-UHFFFAOYSA-N 321.381 -0.091 30 20 DBED COc1cc(C(=O)NC2[C@@H]3CN(C(=O)[C@@H](C)C#N)C[C@@H]23)nn1C 1013489841 SCTOSFAWXBJPEL-IVZWLZJFSA-N 317.349 -0.225 30 20 DBED C[C@@H]1CN(C(=O)C(N)=O)C[C@]2(CCN(C(=O)C#CC3CC3)C2)O1 1017847218 IOTMDURZXCCGOL-BDJLRTHQSA-N 319.361 -0.897 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)c2nnc(O)nc2O)[C@@H]1C 1020536126 ZRLADDYGACSNDM-FXQIFTODSA-N 320.309 -0.838 30 20 DBED C#CCN1CC[C@@H]2[C@H](CCCN2C(=O)CN2C(=O)CNC2=O)C1 1021728668 AWNBICBBFRPPGN-CHWSQXEVSA-N 318.377 -0.516 30 20 DBED N#Cc1ccccc1CN[C@H]1C[C@@H](NC(=O)Cn2cnnn2)C1 1021816019 AOLYFTKUWXKHKD-OKILXGFUSA-N 311.349 -0.018 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2CCCCN2CC(N)=O)nn1 1024700341 YEHZPZHKWGQLII-LLVKDONJSA-N 306.370 -0.466 30 20 DBED N#Cc1ccc(C(=O)NC[C@H]2CCN(Cc3nc(O)n[nH]3)C2)[nH]1 1028487020 OQFZPKCCJGJARC-SECBINFHSA-N 315.337 -0.038 30 20 DBED C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCc2nnnn2CC1 1032639458 FFFUMWMLJDHNGY-RDBSUJKOSA-N 314.393 -0.066 30 20 DBED C=C(Cl)CN1CC[C@@H](N(C)C(=O)CN2CC(=O)NC2=O)C1 1033507248 FAXQNJPFDLAILN-SNVBAGLBSA-N 314.773 -0.177 30 20 DBED C#CCCN1CC[C@H](N(C)C(=O)c2cc(=O)n3[nH]cnc3n2)C1 1033582545 OCEKUMVKWPDLSE-NSHDSACASA-N 314.349 -0.413 30 20 DBED CCN(C(=O)C1CC2(C1)NC(=O)NC2=O)[C@@H]1CCN(CC#N)C1 1033983361 BDGCJYDGNLAKKW-LOIXOFCESA-N 319.365 -0.579 30 20 DBED C=CCn1cc(C(=O)N2CCC[C@@H]2CN[C@H]2CCNC2=O)nn1 1035070385 HSLXLLFNWUXQPR-NEPJUHHUSA-N 318.381 -0.453 30 20 DBED C#CCN1CCC(C(=O)NC[C@H]2CN(C[C@@H](C)O)CCO2)CC1 1035612794 BIRJGDVBDXQFIO-ZBFHGGJFSA-N 323.437 -0.471 30 20 DBED CC#CCN1CCO[C@H](CNC(=O)[C@@H]2CCC(=O)N(C)C2)C1 1035616984 PFEFPHJTZIMNNB-ZIAGYGMSSA-N 307.394 -0.305 30 20 DBED C[C@H]1CN(C(=O)CCN2C(=O)CCC2=O)CC[C@@H]1NCC#N 1036107351 HKQYGYTXQFKTNZ-RYUDHWBXSA-N 306.366 -0.124 30 20 DBED C#CCN1CC[C@H]2CN(C(=O)CC3CS(=O)(=O)C3)CC[C@@H]21 1036752823 GSNHLBATXXZKQA-KBPBESRZSA-N 310.419 -0.023 30 20 DBED N#CCN1CC[C@H]1CNC(=O)[C@H]1COCCN1CC(F)F 1038552973 OOJYPOGLQXIJDT-WDEREUQCSA-N 302.325 -0.334 30 20 DBED C#CCOCCC(=O)NC[C@@]1(O)CCN(C(=O)C(C)(C)F)C1 1039718458 ALXIVRMAJOQXLZ-HNNXBMFYSA-N 314.357 -0.146 30 20 DBED CCc1nc(C#N)cc(N2C[C@H](NC(=O)C(N)=O)CC[C@H]2C)n1 1039800034 AQGZDZZTXBSFDV-NXEZZACHSA-N 316.365 -0.131 30 20 DBED N#Cc1cncc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3CCOC3)C2)n1 1040938562 IKZCCYFTNOFVSU-MVWJERBFSA-N 303.322 -0.950 30 20 DBED C=CCCC(=O)N1CC[C@@](O)(CNC(=O)CCc2cnn[nH]2)C1 1040948874 PYTYEIVEPJOEGN-OAHLLOKOSA-N 321.381 -0.217 30 20 DBED C#CCN1CC[C@@]2(CCN(C(=O)CC[C@@H]3NC(=O)NC3=O)C2)C1 1041824173 UAZWLUVIGUWFQA-BLLLJJGKSA-N 318.377 -0.468 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)[C@H](CC)N(C)C)C1 1042040890 ZZOIVQAQIIKUDP-LBPRGKRZSA-N 313.398 -0.781 30 20 DBED C=CCN1CC[C@@H]2CCN(C(=O)Cn3cnc(C(N)=O)n3)C[C@@H]21 1042066627 HSOFNDFVVSFDHE-NEPJUHHUSA-N 318.381 -0.514 30 20 DBED Cn1c(O)ncc(C(=O)N2CC[C@@H]3CCN(CC#N)[C@@H]3C2)c1=O 1042183723 QUPPHDFDKXVYKC-CMPLNLGQSA-N 317.349 -0.454 30 20 DBED N#Cc1cc(C(=O)NCC2(O)CN(C(=O)c3cc[nH]n3)C2)c[nH]1 1042669087 FINPMJRBNWBMTQ-UHFFFAOYSA-N 314.305 -0.774 30 20 DBED C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)C#CC3CC3)C2)CCN1C 1042964638 LUTBCRSVFPZDCB-TZMCWYRMSA-N 319.405 -0.571 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)c2cnc(O)n2C)C1 1044455610 GQVREBPINRJKFX-UHFFFAOYSA-N 320.349 -0.912 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)c3n[nH]cc3F)C2)nc1 1044494334 PNNCBTWGJHQXBN-MNOVXSKESA-N 316.296 -0.205 30 20 DBED CC#CCCCC(=O)NCC1(O)CN(C(=O)CC(=O)NCC)C1 1044994145 KWEFHRKNQJEUQN-UHFFFAOYSA-N 323.393 -0.604 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)[C@@H](C)c2cncnc2)C1 1045125688 AGSQBDMRLPHEKN-QWRGUYRKSA-N 317.349 -0.571 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)C2(CN(C)C)CC2)C1 1045387003 NQQRIIQVHWJURD-NSHDSACASA-N 308.382 -0.823 30 20 DBED C#CCCN1CCC(F)(F)[C@H](CNC(=O)c2nnn(C)n2)C1 1046962948 COAXYCUFDRSDFN-SNVBAGLBSA-N 312.324 -0.080 30 20 DBED N#CCN1C[C@H]2C[C@H](NC(=O)Cn3ccc(O)nc3=O)C[C@H]1C2 1047105412 JFMSFMSYIAZYPJ-SDDRHHMPSA-N 317.349 -0.558 30 20 DBED COc1coc(C(=O)N(C)[C@H]2CN(CC#N)C[C@@H]2O)cc1=O 1047458385 LQYWWYPVVZZXTB-ONGXEEELSA-N 307.306 -0.711 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCC(=O)N2C)C1 1047615763 YJEQNQLFAUXDSN-RDBSUJKOSA-N 307.394 -0.476 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2noc3c2COCC3)C1 1047634502 IRKBTSKJYCISPC-STQMWFEESA-N 319.361 -0.112 30 20 DBED N#CCN1C[C@H]2CN(C(=O)c3ccoc3CC(N)=O)C[C@H]2C1 1049009831 GWRHWNAFBIGQQZ-PHIMTYICSA-N 302.334 -0.165 30 20 DBED C=C(C)CN1C[C@H]2CN(C(=O)Cn3c(O)nnc3O)C[C@H]2C1 1049191751 HOORQMZDNBWLTQ-PHIMTYICSA-N 307.354 -0.344 30 20 DBED C=CCCN1CCN([C@H]2CCN(C(=O)[C@@H]3CCNC3=O)C2)CC1 1052059989 VPMJMYWQGJERFA-LSDHHAIUSA-N 320.437 -0.083 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2cnn[nH]2)C[C@@H]1C 1052922778 XXDYOCKWSCFAQU-QWRGUYRKSA-N 307.354 -0.168 30 20 DBED C=CCCN1CC2(C1)CN(C(=O)C[C@@H]1NC(=O)NC1=O)CCO2 1053291275 GUISQRSRCFNBJP-NSHDSACASA-N 322.365 -0.926 30 20 DBED N#CCN1CC2(C1)CN(C(=O)c1ccc(C(N)=O)o1)CCO2 1053334082 PDXQVOIVQXOSKT-UHFFFAOYSA-N 304.306 -0.571 30 20 DBED N#Cc1ccc(CN2CC3(C2)CN(C(=O)C(N)=O)CCO3)cc1 1053404598 NATKDWSQOYLHDQ-UHFFFAOYSA-N 314.345 -0.543 30 20 DBED C=C(C)CN1CC2(C1)CN(C(=O)Cn1c(O)nnc1O)CCO2 1053518803 BSGWXIVYUYSYCP-UHFFFAOYSA-N 323.353 -0.821 30 20 DBED N#CCN1CC2(CC[C@@H](CNC(=O)[C@H]3CCCCC(=O)N3)O2)C1 1053661917 AMEMFHOTEUJXPQ-QWHCGFSZSA-N 320.393 -0.082 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)c3cnnn3CC)CO2)C1 1053795854 YIIFGXRBSOMGMG-LBPRGKRZSA-N 303.366 -0.106 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)c3cc(OC)n(C)n3)CO2)C1 1053865955 NTGYOADJBVEJPF-NSHDSACASA-N 304.350 -0.365 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)[C@]3(C)CCNC3=O)CO2)C1 1053926125 WFPDSPVCQJUCFW-SWLSCSKDSA-N 305.378 -0.505 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)[C@H]3CCc4nncn4C3)CO2)C1 1054016527 FBIQSEPDDPZOFR-STQMWFEESA-N 315.377 -0.567 30 20 DBED Cc1nc(N2C[C@H]3C(NC(=O)Cn4ncnn4)[C@@H]3C2)ccc1C#N 1056310071 PGFIJFOHKXWJDB-VXGBXAGGSA-N 324.348 -0.501 30 20 DBED N#Cc1ccc(N2C[C@H]3[C@H](NC(=O)Cn4nccn4)[C@H]3C2)nn1 1056316439 WYZVQODOVUHJCT-YABSGUDNSA-N 310.321 -0.809 30 20 DBED Cc1ccc(C#N)c(N[C@@H]2CCN(C(=O)Cn3cnnn3)C2)n1 1056579549 HFCNTZBBZGRFFX-GFCCVEGCSA-N 312.337 -0.039 30 20 DBED CN(c1cnc(C#N)cn1)[C@@H]1CCN(C(=O)C(C)(C)C(N)=O)C1 1056977557 MUARNTYHMVXDOY-LLVKDONJSA-N 316.365 -0.103 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)c1ccnn1C 1057152439 DDCMIWCXQGZZJD-UHFFFAOYSA-N 306.366 -0.370 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)C[C@@H](C)OC 1057161189 MVXOCFQGDFEOMW-GFCCVEGCSA-N 302.371 -0.449 30 20 DBED N#Cc1cncc(NC2CCN(C(=O)[C@H]3CCNC3=O)CC2)n1 1057400393 YHMSMKJPKPTGEW-LBPRGKRZSA-N 314.349 -0.113 30 20 DBED C=CCCCC(=O)NCCN(CCO)C(=O)[C@H](C)CC(N)=O 1058291793 JNEVNDSOHIVEKO-GFCCVEGCSA-N 313.398 -0.209 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)Cc1cn(CC)nn1 1058351529 SJEBTKCAAYCYJA-UHFFFAOYSA-N 323.397 -0.256 30 20 DBED Cn1c(C(=O)N[C@@H]2CCN(c3nccnc3C#N)C2)cnc1O 1058508018 SBAHJDKPIILXSK-SECBINFHSA-N 313.321 -0.204 30 20 DBED N#Cc1ccc(N2CC[C@@H](NC(=O)[C@@H]3CNC(=O)N3)C2)nc1 1058530802 ALNFXKWCVGGSII-MNOVXSKESA-N 300.322 -0.670 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)[C@H]1CCO[C@@H]1C 1058553056 UMWJYDAXLVSPID-OLZOCXBDSA-N 314.382 -0.449 30 20 DBED Cc1cncn1CC(=O)NCCN(CCO)C(=O)[C@H](C)C#N 1058660746 HIEDIIPNHZPACM-LLVKDONJSA-N 307.354 -0.712 30 20 DBED N#Cc1nc(=N[C@H]2C[C@H](NC(=O)[C@@]3(F)CCOC3)C2)cc[nH]1 1059383398 GKZGBWAWKNWUML-GPCCPHFNSA-N 305.313 -0.042 30 20 DBED Cc1cc(C#N)nc(NC[C@H]2CCN(C(=O)CC(N)=O)C2)n1 1060834360 LNKOFHAFFFJLSZ-SNVBAGLBSA-N 302.338 -0.208 30 20 DBED COC(=O)NCC(=O)NC[C@H]1COCCN1C(=O)C#CC1CC1 1061356076 BLSQVPROTZAIRZ-LBPRGKRZSA-N 323.349 -0.901 30 20 DBED C=CCOCC(=O)N1CCOC[C@H]1CNC(=O)C[C@@H](C)OC 1061405468 CTGKUHPOSTULSW-CHWSQXEVSA-N 314.382 -0.042 30 20 DBED C=CCO[C@H](C)C(=O)NC[C@@H]1COCCN1C(=O)COCC 1061667255 BBWICHAYRDFCMA-CHWSQXEVSA-N 314.382 -0.042 30 20 DBED CC(C)C#CC(=O)N1CCOC[C@H]1CNC(=O)[C@@H]1[C@H]2COC[C@H]21 1061786301 KGPFRHGIPXPRRC-NYTXWWLZSA-N 320.389 -0.118 30 20 DBED CN(C(=O)Cn1cnnn1)[C@H]1CCN(c2ccc(C#N)cn2)C1 1062882629 AHUDITGHTUGMOL-LBPRGKRZSA-N 312.337 -0.323 30 20 DBED C#CCOCCC(=O)NC1(CNC(=O)c2ncn(C)n2)CCC1 1062929233 CNTBLXCMDHIJDO-UHFFFAOYSA-N 319.365 -0.376 30 20 DBED N#Cc1nccnc1NC[C@H]1CCCN1C(=O)Cn1cnnn1 1063442580 AMQGLAQKTWYJSX-SNVBAGLBSA-N 313.325 -0.562 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)[C@]2(C)CCC(=O)N2)CCC1 1064429851 LFPLKDRVEDJARL-YGRLFVJLSA-N 306.366 -0.030 30 20 DBED C#CCOCCC(=O)NC1(CNC(=O)Cc2nc[nH]n2)CCC1 1064606757 NMXHMCVYJOENPS-UHFFFAOYSA-N 319.365 -0.458 30 20 DBED N#Cc1cnc(N2CC[C@]3(CCN(C(=O)CC(N)=O)C3)C2)cn1 1064608994 FEYJGPMVTRLUKT-HNNXBMFYSA-N 314.349 -0.348 30 20 DBED C=CCOCC(=O)N1CCO[C@H](CNC(=O)c2[nH]cnc2C)C1 1064972139 QHUHEEFWBACHKI-GFCCVEGCSA-N 322.365 -0.122 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2cccnn2)CCO1 1065513622 AQBRBJHGUDEOMM-LBPRGKRZSA-N 320.349 -0.364 30 20 DBED C=C(Cl)C(C)(C)C(=O)NC[C@H]1CN(C(=O)C(N)=O)CCO1 1065550230 HGAKAKVNHPLVSN-VIFPVBQESA-N 317.773 -0.406 30 20 DBED C=CCCC1(C(=O)N2CCO[C@@H](CNC(=O)C(N)=O)C2)CC1 1065580065 VYMOFYSHDFROFV-NSHDSACASA-N 309.366 -0.438 30 20 DBED C=CC(C)(C)C(=O)NC[C@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)CCO1 1065625504 OYJTZMVBCFCOIF-TUAOUCFPSA-N 323.393 -0.336 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)Cc2nc[nH]n2)CCO1 1065642072 NMZZTSROJSPZBI-LBPRGKRZSA-N 319.365 -0.506 30 20 DBED O=C(C#CC1CC1)N1C[C@@H]2CN(c3ccc4nnnn4n3)C[C@@H]2C1 1066002493 MOSGCQDLMYTTEV-BETUJISGSA-N 323.360 -0.173 30 20 DBED N#Cc1ccc(NCC2(O)CCN(C(=O)CC(N)=O)CC2)nc1 1067471066 PYLXEMVMQMSLIO-UHFFFAOYSA-N 317.349 -0.406 30 20 DBED C=CCOCC(=O)N1CC2(C1)CN(C(=O)c1cn[nH]c1)CCO2 1068318233 MAFNQHFVUCSXPU-UHFFFAOYSA-N 320.349 -0.334 30 20 DBED C=C(C)C(C)(C)C(=O)N1CC2(C[C@H](NC(=O)CC(N)=O)CO2)C1 1068781982 IOQUMRNDXOOMHO-NSHDSACASA-N 323.393 -0.050 30 20 DBED Cc1cc(C#N)nc(N[C@H]2C[C@@H](C)N(C(=O)CC(N)=O)C2)n1 1069049077 JKYTYOGTXRCHNA-KOLCDFICSA-N 302.338 -0.067 30 20 DBED C[C@H]1C[C@@H](Nc2cnc(C#N)cn2)CN1C(=O)Cn1ncnn1 1069151948 JSLZFUYTLUMHEX-VHSXEESVSA-N 313.325 -0.564 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)C[C@H]2CCN(C)C2)C1 1070076572 SVXBJABYDRECPX-KFWWJZLASA-N 316.409 -0.405 30 20 DBED CN1CC[C@H](C(=O)N2C[C@H](n3ccnn3)[C@H](NCC#N)C2)C1 1070326760 BJWZMNOBGLYUBC-XQQFMLRXSA-N 303.370 -0.905 30 20 DBED C#CCN1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CCC(=O)N2)C1 1070432488 HHZPWKQGQOTXML-AAEUAGOBSA-N 315.377 -0.273 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCCN(C(=O)[C@H]2COC(=O)N2)C1 1070681220 BGVOFPRPECWILW-VXGBXAGGSA-N 323.349 -0.758 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)[C@H](C)n4cncn4)C[C@@]3(C1)O2 1070790589 ZTJZYOXAVDFNET-DSJMHWKBSA-N 315.377 -0.226 30 20 DBED CC#CCN1CCNC(=O)CCN(C(=O)c2ccon2)CC1 1070943219 GDESCDPLKITIJZ-UHFFFAOYSA-N 304.350 -0.038 30 20 DBED C[C@@H]1OCC[C@H]1C(=O)N1CCC(=O)NCCN(CC#N)CC1 1071010290 DZXFISODEQEPOL-QWHCGFSZSA-N 308.382 -0.415 30 20 DBED C[C@H](C(N)=O)N1CCC2(CN(C(=O)c3c[nH]c(C#N)c3)C2)C1 1072639774 INKSBKHQIGXSTG-SNVBAGLBSA-N 301.350 -0.092 30 20 DBED CC(C)C#CC(=O)N1CC[C@@H](NC(=O)c2nnn(C)n2)[C@H](C)C1 1074109153 HUPCNCJNAJNPAB-VXGBXAGGSA-N 318.381 -0.164 30 20 DBED C=C(C)CN1CCO[C@@H]2CCN(C(=O)CS(C)(=O)=O)C[C@H]21 1074179221 YGRCNOPMZXMHLP-CHWSQXEVSA-N 316.423 -0.091 30 20 DBED C=CCCC(=O)N1CCC(O)(CNC(=O)[C@H]2C[C@H]2C(N)=O)CC1 1074511286 BRJABRLDDYLXPG-NEPJUHHUSA-N 323.393 -0.456 30 20 DBED C[C@@H]1C[C@H](NC(=O)C#CC2CC2)CCN1C(=O)CCNC(N)=O 1074982955 ZUILWJMMEHIKRD-DGCLKSJQSA-N 320.393 -0.046 30 20 DBED C=CCOCC(=O)NCC[C@H](C)NC(=O)C(=O)NCC1CC1 1075919063 RSZHTCNJMWQSDI-NSHDSACASA-N 311.382 -0.274 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)[C@@]12COC[C@@H]1C2 1076220001 LLZLPXYSHWGPIQ-MKBNYLNASA-N 321.377 -0.827 30 20 DBED CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)CN2CCOCC2=O)C1 1080419679 FBNSUOLRDWMBPO-LLVKDONJSA-N 322.365 -0.936 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2ccccn2)C1 1081169595 NUKCYZRSDGYLTB-GXTWGEPZSA-N 319.361 -0.167 30 20 DBED C#CCOCCC(=O)N1C[C@H](CNC(=O)C(C)(F)F)[C@@H](O)C1 1081186109 KTODLQCCCJPIBI-QWRGUYRKSA-N 318.320 -0.383 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)CCc2nc[nH]n2)C[C@@H]1O 1081336107 TXITVYIMWPMCNZ-NEPJUHHUSA-N 321.381 -0.361 30 20 DBED C=CCCC(=O)N1C[C@H](CNC(=O)c2nccnc2N)[C@@H](O)C1 1081348343 BKBVLJCMSRUACZ-QWRGUYRKSA-N 319.365 -0.426 30 20 DBED C=C(C)CN[C@@H]1CCCC[C@H]1NC(=O)c1cn(CC(N)=O)nn1 1085432097 IDHJKSFGKVKQEH-VXGBXAGGSA-N 320.397 -0.030 30 20 DBED CC(=O)Nc1c[nH]c(C)c1C(=O)N[C@H]1CCN(CC#N)C[C@@H]1O 1090377665 LPHZNUNPCPPYTM-AAEUAGOBSA-N 319.365 -0.030 30 20 DBED C=CCCC(=O)N[C@@H]1CN(c2ncnc3c2ncn3C)C[C@H]1O 1090394861 RXXKBCSASIXJBD-GHMZBOCLSA-N 316.365 -0.005 30 20 DBED C[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1NC(=O)CCCC(N)=O 1090730951 LSENHKJNXUKMGL-ZYHUDNBSSA-N 316.365 -0.055 30 20 DBED C#CCN1CC[C@H](NC(=O)Cn2c(C)c(C)sc2=O)[C@@H](O)C1 1090829705 DWWCOUIEBRREEN-STQMWFEESA-N 323.418 -0.289 30 20 DBED CC(C)(O)CC(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1091099111 BXLBQPZKDSSZQA-MNOVXSKESA-N 305.338 -0.825 30 20 DBED CCOCCC(=O)N[C@@H]1CCN(c2ccnc(C#N)n2)C[C@@H]1O 1092153808 MVDOXSUNNMMILD-NEPJUHHUSA-N 319.365 -0.169 30 20 DBED Cc1cc(N2CCN(C(=O)CNC(N)=O)CC2)c(C#N)cn1 1093132696 QUTCLGRPMZIPIC-UHFFFAOYSA-N 302.338 -0.421 30 20 DBED N#Cc1cncc(NCCNC(=O)c2ccoc2CC(N)=O)n1 1094069321 NTDQXUMQXBOXCF-UHFFFAOYSA-N 314.305 -0.189 30 20 DBED N#Cc1c[nH]ccc1=NCCCNC(=O)C[C@@H]1CC(=O)NC1=O 1094485560 KVUYRKARFGBLAZ-SNVBAGLBSA-N 315.333 -0.654 30 20 DBED C#CCN1CCN(C(=O)Cc2ccco2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094668993 ABRTVPFDRPFPOH-UONOGXRCSA-N 322.386 -0.235 30 20 DBED N#Cc1ccc(N[C@H](CNC(=O)[C@@H]2CCC(=O)N2)C2CC2)nn1 1096697373 KSDABEOXQIURRF-NWDGAFQWSA-N 314.349 -0.066 30 20 DBED N#Cc1ccc(N[C@@H](CNC(=O)Cn2ncnn2)C2CC2)cn1 1096731688 SOWDRCPAMPPRHR-ZDUSSCGKSA-N 312.337 -0.053 30 20 DBED C#CCCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1C(=O)CN(C)C1=O 1098347043 IQUIWHKRWAOPTJ-UPJWGTAASA-N 318.377 -0.375 30 20 DBED CCN1CCOC[C@H]1C(=O)N1CCC(N(CC#N)CCO)CC1 1098414785 DTOSJCHMVSNWRG-HNNXBMFYSA-N 324.425 -0.484 30 20 DBED CC#CCN(CCO)C1CCN(C(=O)[C@H]2CN(C)C(=O)N2)CC1 1098447781 WYMVCOKQHLAGDR-CQSZACIVSA-N 322.409 -0.681 30 20 DBED C=CCOCC(=O)N1CC[C@@H](n2cc(CNCCCO)nn2)C1 1098636669 CXIVDIWTLMCCEF-CQSZACIVSA-N 323.397 -0.274 30 20 DBED N#CCNCc1cn([C@@H]2CCN(C(=O)c3cnn[nH]3)C2)nn1 1098688824 ZQJXWACXTPOROX-SNVBAGLBSA-N 301.314 -0.903 30 20 DBED C[C@@H](CCNC(=O)Cn1cnnn1)N=c1cc[nH]cc1C#N 1098817298 IYAMDTOPGBJNGR-JTQLQIEISA-N 300.326 -0.631 30 20 DBED C#CCN1C[C@@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CCNC(N)=O)C1 1099552320 LEAHRVIQTFTSSA-FQUUOJAGSA-N 304.394 -0.153 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2cnc(C)cn2)[C@@H](O)C1 1099629968 KEWRWDAKGDGJAJ-ZFWWWQNUSA-N 318.377 -0.400 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)C(C)(C)C2CC2)[C@H](O)C1 1099952688 XFKJXNNOURWJAE-ZIAGYGMSSA-N 321.421 -0.277 30 20 DBED CC#CCN1CC[C@H](NC(=O)C(C)(C)S(C)(=O)=O)[C@@H](O)C1 1100022071 GVJABGCRWVXOAQ-RYUDHWBXSA-N 316.423 -0.616 30 20 DBED C=CCCN1CC[C@H](NC(=O)CCCS(C)(=O)=O)[C@@H](O)C1 1100031263 BZZSDNWHOWZECH-STQMWFEESA-N 318.439 -0.061 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CC(CNC(=O)Cc2ccon2)C1 1100209219 ZUCUFCUCAZNFNK-LKSINWNRSA-N 318.377 -0.161 30 20 DBED C[C@@H](CC(N)=O)C(=O)NC[C@H]1CCCN1c1ccc(C#N)nn1 1100886891 QIBHEFHDQRUJNE-CMPLNLGQSA-N 316.365 -0.055 30 20 DBED CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CCN(c2cncc(C#N)n2)C1 1100922056 SPERSUCWVQQMQP-JQWIXIFHSA-N 316.365 -0.185 30 20 DBED N#Cc1nccc(N2CCC[C@@H]2CCNC(=O)CNC(N)=O)n1 1103725966 UHMXHMIUPJFVAK-SNVBAGLBSA-N 317.353 -0.508 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](C)CNC(=O)Cn2cnnn2)n1 1103851235 DMEAJWVULLAJFD-VIFPVBQESA-N 315.341 -0.492 30 20 DBED C#CCOCCC(=O)NC[C@@H](C)CN=c1cc[nH]c(C#N)n1 1104089280 DYMGPHSEEQKZNP-LBPRGKRZSA-N 301.350 -0.026 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)CN1CCOCC1 1104528852 WNXQVRXPCMSDOU-GFCCVEGCSA-N 318.381 -0.639 30 20 DBED C#CCCCCC(=O)N1CC(n2cc(CNCC(N)=O)nn2)C1 1105219604 HXDBMLBQAHPMGS-UHFFFAOYSA-N 318.381 -0.570 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(n2cc(CNCC#CC)nn2)C1 1105238382 XZURNMNUJWGMEA-ZDUSSCGKSA-N 315.377 -0.187 30 20 DBED CN(CCN(C)c1cncc(C#N)n1)C(=O)C(=O)NCC1CC1 1105448460 WHGMCQBQDROIGS-UHFFFAOYSA-N 316.365 -0.231 30 20 DBED COC(=O)NCC(=O)NC[C@H](O)CNc1ccc(C#N)nc1 1105723560 SDGTYDCUVFHQOU-LLVKDONJSA-N 307.310 -0.802 30 20 DBED Cc1ccc(C#N)c(NC[C@@H](O)CNC(=O)[C@@H]2COC(=O)N2)n1 1105835055 FIBASGWXPAXNEK-MNOVXSKESA-N 319.321 -0.741 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H](O)CN=c2cc[nH]c(C#N)n2)cn1 1105910581 XYADHVJLESKNFA-ZDUSSCGKSA-N 322.328 -0.651 30 20 DBED Cn1cncc1CC(=O)NC[C@H](O)CNc1cncc(C#N)n1 1105913914 LTKOUHDMAXHYTA-GFCCVEGCSA-N 315.337 -0.787 30 20 DBED N#Cc1c(F)cccc1NC[C@@H](O)CNC(=O)[C@H]1C[C@H]1C(N)=O 1106119127 HDMIGROZVUIKSQ-BBBLOLIVSA-N 320.324 -0.292 30 20 DBED Cc1nsc(NC[C@@H](O)CNC(=O)c2cnn[nH]2)c1C#N 1106171477 APDCLUWTPAVFJI-ZETCQYMHSA-N 307.339 -0.356 30 20 DBED C[C@@H]1CN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C[C@H]1CNCC(=O)NCC#N 1106556447 PWVJVUFPYKBIDH-NTASLKFISA-N 320.393 -0.797 30 20 DBED C[C@H](CNc1ccc2nnnn2n1)NC(=O)CSCC#N 1107626691 CRDGBIBNQQYRCT-MRVPVSSYSA-N 306.355 -0.307 30 20 DBED CC[C@@H](C)C(=O)NC[C@]1(C)CN(CC(=O)NCC#N)CCO1 1107752333 RYJCDCVKCLUPPI-IUODEOHRSA-N 310.398 -0.121 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)C(C)(C)CNC(C)=O)C1 1108274935 SQSGGDSLIXXJPK-INIZCTEOSA-N 309.410 -0.011 30 20 DBED N#CCN1CC(N2C[C@H](NC(=O)CCc3ccon3)CC2=O)C1 1108555634 UFTBVJGZHYJFPL-GFCCVEGCSA-N 317.349 -0.468 30 20 DBED CC(C)C#CC(=O)N1C[C@H]2C[C@@H](NCC(=O)NC(N)=O)C[C@H]1C2 1108681429 PFWCSCJEMHNGJZ-YNEHKIRRSA-N 320.393 -0.190 30 20 DBED N#CCNC(=O)CN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1nc[nH]n1)C2 1108781503 WVXRLXAXQLEOPN-AXFHLTTASA-N 317.353 -0.973 30 20 DBED Cn1cccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1108932001 GRKACHPSRSCZFU-AGIUHOORSA-N 315.377 0.000 30 20 DBED C[C@@H](CN(C)c1ccc(C#N)nn1)NC(=O)C[C@H]1CCNC1=O 1109114049 GWLSHFRVIVEBTG-WDEREUQCSA-N 316.365 -0.185 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCCOC 1109171664 ZICNWZMWOOQEMF-RDBSUJKOSA-N 307.394 -0.116 30 20 DBED C#CCNC(=O)CC(=O)N(C)CCCNc1nccnc1C#N 1109409082 KDWOSSMSDPBMRJ-UHFFFAOYSA-N 314.349 -0.252 30 20 DBED C=CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN(C)S(C)(=O)=O 1110618910 IENOFIKUCCOTHQ-UTUOFQBUSA-N 301.412 -0.215 30 20 DBED C#CCNC(=O)CC(=O)N[C@]1(C)CCN(c2cnc(F)cn2)C1 1110741800 NXASSHODYYLAFG-OAHLLOKOSA-N 319.340 -0.160 30 20 DBED N#Cc1nccnc1N1CC[C@@](O)(CNC(=O)C#CC2CC2)C1 1111071098 RDKLTCUKNREJOI-MRXNPFEDSA-N 311.345 -0.181 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@]1(O)CCN(c2ccnc(C)n2)C1 1111097821 HAVCAYQHPXZYEJ-MLGOLLRUSA-N 318.377 -0.119 30 20 DBED N#Cc1nccnc1N1[C@H]2CC[C@@H]1C[C@H](CNC(=O)C(N)=O)C2 1111271023 XGXOWKFTEJHCBF-JGPRNRPPSA-N 314.349 -0.303 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)Cc2cc[nH]n2)CC1 1112737062 QSILSAUQXOOWEH-LBPRGKRZSA-N 305.382 -0.213 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(c2ccnc(C)n2)C[C@H]1O 1112737323 ASDKSYWJZAXGDZ-ZIAGYGMSSA-N 318.377 -0.262 30 20 DBED CNC(=O)CC(=O)N1CCC[C@H]1CN(C)c1ccnc(C#N)n1 1112790230 CSRJZVPTVWDOIO-NSHDSACASA-N 316.365 -0.088 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)N(C)c1cncc(C#N)n1 1113802717 SMVFGWWJVMHIGJ-ONGXEEELSA-N 317.353 -0.687 30 20 DBED C[C@H](CNC(=O)[C@H]1CC(=O)N(C)C1)N(C)c1cncc(C#N)n1 1113943862 PLNXZGKEJHWEGT-MNOVXSKESA-N 316.365 -0.233 30 20 DBED C=CCCO[C@@H](C)C(=O)N[C@H]1[C@@H]2CN(Cc3nnn(C)n3)C[C@@H]21 1113998666 BIHSBRGQEBDKJY-CIQGVGRVSA-N 320.397 -0.262 30 20 DBED C=C(C)CN(CC)C(=O)CN1C[C@@H]2C(NC(=O)CC(N)=O)[C@H]2C1 1114092998 HPSQGIAAMPQWCO-RYUDHWBXSA-N 322.409 -0.667 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)CCc3nc[nH]n3)[C@H]2C1 1114117030 MHSASTRADQYOMV-QWRGUYRKSA-N 318.381 -0.914 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)c3cncnc3)[C@H]2C1 1114163127 AXJBMPZMEJDPKM-ZZVYKPCYSA-N 315.377 -0.173 30 20 DBED C#CCOCCC(=O)NC1[C@H]2CN(CCOCCOC)C[C@H]12 1114266816 XJTKKBCWIGUXRE-KBPBESRZSA-N 310.394 -0.264 30 20 DBED CC(=O)NCC(=O)N[C@H]1CN(c2ccnc(C#N)n2)CC1(C)C 1114419915 XAEQDGNFIIXFHB-NSHDSACASA-N 316.365 -0.185 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)c3cnco3)[C@@H]2C1 1114641885 LKTLGPSYYZXJKA-HBNTYKKESA-N 302.334 -0.528 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)c3cncc(OC)n3)[C@H]2C1 1114932097 FWTGEENMOGKMAE-JYAVWHMHSA-N 316.361 -0.205 30 20 DBED C[C@H](CCCN=c1cc[nH]c(C#N)n1)NC(=O)c1nc[nH]n1 1114981090 IGJOTIVAQWNIMJ-SECBINFHSA-N 300.326 -0.101 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)[C@H](NC(C)=O)C(C)C)[C@H]2C1 1115147297 DDYQYJBTKNNVBC-QXSJWSMHSA-N 321.421 -0.157 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)CN(C)C(C)C)[C@@H]2C1 1115300746 YUYYUNGFKZDWRP-BFHYXJOUSA-N 320.437 -0.489 30 20 DBED C[C@]1(C#N)CCCN(C(=O)C(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)C1 1117605071 GMBKHZHUJZEWDQ-JRPNMDOOSA-N 322.365 -0.712 30 20 DBED Cc1cc(C#N)nc(N[C@@H](C)CN(C)C(=O)[C@@H]2CNC(=O)N2)n1 1120634635 NPBQBGGWVQSCLH-ONGXEEELSA-N 317.353 -0.403 30 20 DBED CC(=O)CCCC(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1 1121050407 OOEPFIWLGXYGPR-LLVKDONJSA-N 305.338 -0.582 30 20 DBED Cc1cc(=N[C@H](CO)CNC(=O)c2cc[nH]n2)c(C#N)c[nH]1 1121145246 WWFVKHFOFXBGQV-NSHDSACASA-N 300.322 -0.391 30 20 DBED Cn1nccc1C(=O)NC[C@@H](CO)Nc1ccc(C#N)cn1 1121176995 CDURJNBKJBEVSG-NSHDSACASA-N 300.322 -0.110 30 20 DBED Cn1cc(CC(=O)NC[C@H](CO)Nc2ccc(C#N)cn2)cn1 1121190827 MTBQJABBGUIZMM-CYBMUJFWSA-N 314.349 -0.182 30 20 DBED C=CCOCC(=O)NC[C@@H](CO)Nc1cc(C)nc2ncnn12 1121325102 VTNQOMXAVGERTJ-NSHDSACASA-N 320.353 -0.476 30 20 DBED Cc1cc(C(=O)NC[C@@H](CO)N=c2cc[nH]c(C#N)n2)ns1 1121406419 VHFXEFVMSKYSOA-VIFPVBQESA-N 318.362 -0.262 30 20 DBED Cc1conc1C(=O)NC[C@@H](CO)Nc1ccc(C#N)nn1 1121977347 OLYOERRVYOCKMP-JTQLQIEISA-N 302.294 -0.153 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)C[C@H]2CCNC2=O)nc1 1122192326 XPOXGWBGOGDKNE-NEPJUHHUSA-N 317.349 -0.632 30 20 DBED C#C[C@H](NC(=O)NCCN1CCC2(C1)OCCO2)[C@H]1CCCO1 1123707822 LJSKCOQPNQBQTB-UONOGXRCSA-N 323.393 -0.085 30 20 DBED CC(=O)NCC(=O)N[C@H]1CC[C@@H](CN=c2cc[nH]c(C#N)n2)C1 1123710007 GUVVIAQXHYWDNJ-NEPJUHHUSA-N 316.365 -0.397 30 20 DBED Cc1nc[nH]c1C(=O)N(C)C[C@@H](O)CN=c1cc[nH]cc1C#N 1124399156 KFEVDPKEOKKMNP-LBPRGKRZSA-N 314.349 -0.048 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CC(=O)N(C(C)C)C1 1128644663 URKNTFFBLPUZJB-OLZOCXBDSA-N 322.409 -0.913 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1CN(CC(N)=O)C[C@@H]1n1ccnn1 1129159624 NQDIKTCHXUCPTE-MNOVXSKESA-N 306.370 -0.683 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1ncc(C)cc1OC 1129665661 WPDGMAIYYPRFJU-LBPRGKRZSA-N 318.377 -0.144 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1ccn2cncc2c1 1130874923 UPFBTUKMYKIQIU-GFCCVEGCSA-N 313.361 -0.208 30 20 DBED COCC#CCNCCNC(=O)c1cnc2c(c1)NC(=O)CO2 1130889369 GGPJPTHCHFLKFV-UHFFFAOYSA-N 318.333 -0.618 30 20 DBED N#CCOc1ccc(CNCCNC(=O)[C@H]2C[C@H]2C(N)=O)cc1 1133943690 RMUZHQOAXFROOZ-KGLIPLIRSA-N 316.361 -0.084 30 20 DBED C[C@H](C[C@@H](C)NC(=O)c1cn(C)cn1)NCC(=O)NCC#N 1134098625 DMGIYSDUKGJTJG-GHMZBOCLSA-N 306.370 -0.454 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)c1cncn1C 1134885713 XFOAKJFJNKSBMB-NEPJUHHUSA-N 305.382 -0.344 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)CCCN(C)C)NCC(=O)NCC#N 1135317549 ZBEILTTZLMTHEY-QWHCGFSZSA-N 311.430 -0.159 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)C1(C(=O)NC)CC1 1135664423 GIIBRWHPYMFKAQ-RYUDHWBXSA-N 322.409 -0.865 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)c1ncc[nH]1)C2 1147483652 SNMRSHFFXDARBB-UHFFFAOYSA-N 301.350 -0.693 30 20 DBED C=CCNC(=O)CN1CCC2(C1)CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 1147508569 ZXFFNUGMFYBCOA-VXGBXAGGSA-N 322.365 -0.512 30 20 DBED Cc1n[nH]cc1C(=O)N1CC2(CCN(CC(=O)NCC#N)C2)C1 1148010929 NDFPHVOWPOSDNZ-UHFFFAOYSA-N 316.365 -0.494 30 20 DBED COCC#CCN1CCC2(C1)CN(C(=O)[C@@H]1CCC(=O)N1)C2 1148626009 SPYDUWZGOCDOFN-ZDUSSCGKSA-N 305.378 -0.551 30 20 DBED COCCOC[C@@H](O)CNCCCNC(=O)c1c[nH]c(C#N)c1 1156848025 OTDXDSHPQZCHSF-AWEZNQCLSA-N 324.381 -0.380 30 20 DBED C#CCN1CCC(CNC(=O)[C@H](C)NC(N)=O)(COC)CC1 1162230138 LUEBEITYMRRDKV-LBPRGKRZSA-N 310.398 -0.479 30 20 DBED C#CCCN1CCC(CNC(=O)CNC(=O)NC)(COC)CC1 1162296637 ZHCOPWTUVQOMEE-UHFFFAOYSA-N 324.425 -0.217 30 20 DBED C[C@H](CCCCNCC#N)NC(=O)c1cnc(O)n(C)c1=O 1174623730 OGWAZFVLXRSJRY-SNVBAGLBSA-N 307.354 -0.112 30 20 DBED C#CCNC(=O)CNCCCC[C@@H](C)NC(=O)c1cnon1 1175793667 HLCPDKHFDUUKJU-LLVKDONJSA-N 307.354 -0.303 30 20 DBED C#CCOCCC(=O)N1CC[C@H]2OCCN(CC(=O)NC)[C@@H]2C1 1177011951 HGWONGIKGIEADB-ZIAGYGMSSA-N 323.393 -0.926 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)CCNC(=O)COC)C[C@H]21 1177029648 HSDHWXYNNZVISQ-KGLIPLIRSA-N 323.393 -0.926 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2cccn2C)[C@H]1C 1178124285 JQCZEGGYFRYGSP-STQMWFEESA-N 302.378 -0.033 30 20 DBED CCNC(=O)CCC(=O)N1CC[C@H](NCC(=O)NCC#N)[C@@H]1C 1178336090 RMCBUASFWRQGFC-RYUDHWBXSA-N 323.397 -0.879 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2snnc2C)C1 1180921686 SQLQONBHQLWUDA-GHMZBOCLSA-N 321.406 -0.211 30 20 DBED C=CCN1CC[C@@H](N[C@@H]2CCN(C(=O)CNC(=O)OC)C2)C1=O 1181294658 IVURDTLKAIQEBT-VXGBXAGGSA-N 324.381 -0.680 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](N[C@@H](C)C(=O)NCC=C)C1 1182145920 ZXECFLZBMDSBDG-QWHCGFSZSA-N 320.393 -0.993 30 20 DBED C#CCNC(=O)CNCc1cn([C@@H]2CCCN(C(C)=O)C2)nn1 1185821316 KUEGLSFPCWVUQP-CQSZACIVSA-N 318.381 -0.700 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)CCCC(=O)N(C)C)C1 1187162123 VJWLZGXWIRCKCZ-CYBMUJFWSA-N 324.425 -0.262 30 20 DBED CC#CCN[C@@H]1CCN(C(=O)CCS(=O)(=O)N(C)C)C1 1188064310 MNQMZULUUUFKBF-GFCCVEGCSA-N 301.412 -0.518 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@H]1CCN(C(=O)c2cncnc2)C1 1189788029 SYJDOCXTOLJZCS-OCCSQVGLSA-N 315.377 -0.239 30 20 DBED C#CCOCCC(=O)N1CC[C@H](N(C)Cc2nc(=O)n(C)[nH]2)C1 1190121865 UDECXWXLWHKFDI-LBPRGKRZSA-N 321.381 -0.819 30 20 DBED C#CCCN(C)[C@@H]1CCN(C(=O)[C@H]2CN(C(C)=O)CCO2)C1 1193785877 BIXKZYOLTWAIKX-HUUCEWRRSA-N 307.394 -0.210 30 20 DBED C=C(C)C(C)(C)C(=O)N[C@@H]1CN([C@@H]2CCN(C)C2=O)C[C@H]1O 1195277282 DWANKNOAPRFXKK-JHJVBQTASA-N 309.410 -0.019 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)c2csc(O)n2)C1 1195472882 IEDMYYLVQFWSAW-MWLCHTKSSA-N 311.363 -0.727 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)[C@H]2CCN(C)C2=O)CCCO1 1201206237 WPPQBFVWZSWBSC-KGLIPLIRSA-N 307.394 -0.305 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)[C@H](C)OCC=C)CC1 1204029469 YKPCPNLSLFXYLR-ZDUSSCGKSA-N 307.394 -0.093 30 20 DBED Cn1ncnc1COCC(=O)N1CCC(CNCC#N)CC1 1206742454 PRIHHGKHWIVOLE-UHFFFAOYSA-N 306.370 -0.317 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2cccc(O)n2)[C@H](C)C1 1206759818 VFOHYBDBTCXOLM-DGCLKSJQSA-N 316.361 -0.413 30 20 DBED C#CCCNCC1CCN(C(=O)CN2C(=O)CCC2=O)CC1 1206918521 GJFVXXIAUWMJEU-UHFFFAOYSA-N 305.378 -0.013 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCCN(C(=O)Cn2cccn2)C1 1207300040 YVKXYGXANYZXSY-UONOGXRCSA-N 317.393 -0.398 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2ccnnc2C)[C@H](C)C1 1207871624 UHQOVKZTTWNSRF-BXUZGUMPSA-N 315.377 -0.415 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)C2(COC)CC2)[C@H](C)C1 1207984787 IQFQGPBQEQGSRT-CHWSQXEVSA-N 307.394 -0.401 30 20 DBED C#CCN[C@@H]1CCCN(C(=O)CCCn2c(O)nnc2O)C1 1208462630 CWNMUPWQHCDQQW-LLVKDONJSA-N 307.354 -0.317 30 20 DBED CNC(=O)C1(C(=O)N2CCC[C@H](NCC#CCOC)C2)CC1 1210125488 RYDHCNPZIYOTPP-ZDUSSCGKSA-N 307.394 -0.257 30 20 DBED CO[C@@H]1CN(CCS(C)(=O)=O)C[C@H]1NC(=O)[C@H](C)C#N 1212038968 CCZLHFJEASJSJI-GMTAPVOTSA-N 303.384 -0.994 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2ncnn2C)C[C@H]1OC 1212257476 CXZUVFFNCSQFKP-JHJVBQTASA-N 321.381 -0.831 30 20 DBED C#CCCN1C[C@@H](NC(=O)[C@H](C)CS(C)(=O)=O)[C@H](OC)C1 1213934424 SUQQGMRERQKSAR-JHJVBQTASA-N 316.423 -0.494 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CN(C)C(C)=O)C[C@H]1C 1214183837 OKNONRZNUWYPHT-YRGRVCCFSA-N 322.409 -0.961 30 20 DBED C[C@@H]1CN(C(=O)CCc2ccon2)C[C@H]1NCC(=O)NCC#N 1215144039 GIIRYIVOUUQYTM-DGCLKSJQSA-N 319.365 -0.317 30 20 DBED CC(C)[C@@H](C)C(=O)N1CCO[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1218709965 YXNAMTRRLQPIMF-HZSPNIEDSA-N 322.409 -0.170 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2nccc(C)n2)C[C@@H]1O 1219604991 FYQLVASEPFUANN-MJBXVCDLSA-N 318.377 -0.515 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@H]2CCN(CC(=O)NC3CC3)C[C@H]21 1221540806 BIZUJGRPBVVELD-GZBFAFLISA-N 319.405 -0.164 30 20 DBED N#CCNC(=O)CN1CC[C@@H]2CCN(C(=O)[C@@H]3CCCO3)C[C@@H]21 1222215110 ZICFVZVMBGLZHL-RDBSUJKOSA-N 320.393 -0.272 30 20 DBED C#CCNC(=O)CC(=O)NCC1CCN(C[C@H]2CCOC2)CC1 1222920213 HTENIONJDJLDCK-OAHLLOKOSA-N 321.421 -0.009 30 20 DBED C#CCO[C@H](C)C(=O)NC1CCN(CC(=O)NCC#N)CC1 1227298873 FOPVGLSIXHOSQE-GFCCVEGCSA-N 306.366 -0.755 30 20 DBED COCC#CCN1CCC(NC(=O)C[C@@H]2CCNC2=O)CC1 1227784613 UVSBWZYOOHKDFG-ZDUSSCGKSA-N 307.394 -0.257 30 20 DBED C#CCOCCC(=O)N(C)C[C@H]1CCN1Cc1nnnn1C 1234255421 MNNBVVZDGOGPOI-GFCCVEGCSA-N 306.370 -0.717 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@H]1CN(C)C(=O)C(C)(C)C(N)=O 1235588268 IQUSBIGHYORQJD-NEPJUHHUSA-N 322.409 -0.832 30 20 DBED C=C(C)Cn1c(C[C@H](C)O)nnc1N1CCO[C@@H](C(=O)NC)C1 1263314133 GXXPKBFPDDHEQS-NWDGAFQWSA-N 323.397 -0.271 30 20 DBED COC[C@@H](C)n1ccc(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)n1 1320599267 QNUGZUTYBAGNKJ-MNOVXSKESA-N 321.337 -0.220 30 20 DBED CC1(C)CN(C(=O)C(=O)Nc2cnn(CC#N)c2)CC[C@H]1O 1321612958 CTHJXYLWKXDSDB-LLVKDONJSA-N 305.338 -0.035 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CCCN(C(=O)C2CC2)CC1 1321847918 FXJAQOYDVBSFDR-CYBMUJFWSA-N 323.393 -0.226 30 20 DBED CC1(C#N)CCN(C(=O)C(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)CC1 1324294677 ZBEBMVFGLOSXQL-QWRGUYRKSA-N 322.365 -0.712 30 20 DBED N#C[C@@]1(F)CCN(C(=O)C(=O)N2CCC[C@@H]2C(=O)NC2CC2)C1 1325131559 LRKDEVBFZQZXQM-ABAIWWIYSA-N 322.340 -0.280 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N[C@H]2CCN[C@@H](C)C2)nn1 1326583293 HGOJQURZTILLCR-QWRGUYRKSA-N 306.370 -0.663 30 20 DBED C=C[C@@H](O)C(=O)NCc1cccnc1N1CCC(C(N)=O)CC1 1328209647 POVFMXPTNBSXKM-CYBMUJFWSA-N 318.377 -0.054 30 20 DBED C#CC[C@@H](CO)NC(=O)Cc1c(C)nc2[nH]n(C)c(=O)c2c1C 1328890273 HVTLNMPUAJGRQA-NSHDSACASA-N 316.361 -0.079 30 20 DBED C=CCCOCCNC(=O)C(=O)N1CCO[C@H](C(=O)OC)C1 1329478619 DBWIQHDNTCFREH-NSHDSACASA-N 314.338 -0.904 30 20 DBED C#CCN(CC)c1nnc(Cn2cc(CCO)nn2)n1CC 1340711539 ZWKJLVVNRLPGOM-UHFFFAOYSA-N 303.370 -0.068 30 20 DBED C=C(C)Cn1c(N2CCO[C@H](C(=O)NC)C2)nnc1C1(O)CC1 1343590115 OHFMNFYLRQSXDU-NSHDSACASA-N 321.381 -0.213 30 20 DBED C=C[C@H](CO)NC(=O)C(=O)Nc1ccc(=O)n(CCOC)c1 1350308679 DRLVKBOVVIIJPB-SNVBAGLBSA-N 309.322 -0.904 30 20 DBED C#CCNC(=O)C1CCN(C(=O)CN2CCC(CO)CC2)CC1 1358158808 VOVDQBYRHSYHIB-UHFFFAOYSA-N 321.421 -0.321 30 20 DBED N#Cc1cn(CC(=O)N2CC(OC(F)F)C2)c(=O)nc1O 1362397847 KFBTZXFWQUBOQY-UHFFFAOYSA-N 300.221 -0.729 30 20 DBED C[S@](=O)C1(CNC(=O)Cn2cc(C#N)c(O)nc2=O)CCC1 1362740103 QCQRKTMCXVNGSM-QFIPXVFZSA-N 324.362 -0.762 30 20 DBED C=C(Cl)CN1C[C@@H]2C[C@H]1CN2C(=O)CCNS(C)(=O)=O 1373567077 DFPMQHLSIMFXLJ-QWRGUYRKSA-N 321.830 -0.037 30 20 DBED COCCn1cc(C(=O)N(C)CCN(C)C(=O)[C@H](C)C#N)nn1 1376290945 WIOIQZUOHCJTSF-LLVKDONJSA-N 322.369 -0.385 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)CCc1nccs1 1376619598 ISZFCDNMXRMVKV-NXEZZACHSA-N 310.379 -0.171 30 20 DBED N#Cc1cc(C(=O)NC[C@H](O)CNC(=O)C2CCOCC2)c[nH]1 1391969129 QERRMVDMFPTTQJ-CYBMUJFWSA-N 320.349 -0.480 30 20 DBED CCCN1CC[C@@H](NC(=O)CCn2cc(C#N)c(O)nc2=O)C1 1418554741 IOGPWIIEILIXHB-GFCCVEGCSA-N 319.365 -0.189 30 20 DBED CN1CC[C@@H]2CN(C(=O)CCn3cc(C#N)c(O)nc3=O)C[C@@H]21 1434013850 NNHZPEMLUNNFCE-PWSUYJOCSA-N 317.349 -0.627 30 20 DBED COC[C@@H](OC)C(=O)N[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 1447021176 HGJSDKGVQZMQBZ-DGCLKSJQSA-N 320.349 -0.122 30 20 DBED C[C@@H](C#N)C(=O)NCC1CN(C(=O)c2ccc3nnnn3c2)C1 1498677999 ODJNNCJBUZADBX-VIFPVBQESA-N 313.321 -0.528 30 20 DBED CNC(=O)NCCC(=O)N(C)[C@@H](CNC(=O)[C@H](C)C#N)C1CC1 1510352048 IGXWKEDONIXHOA-PWSUYJOCSA-N 323.397 -0.182 30 20 DBED CC(=O)NCC(=O)NC[C@@H](NC(=O)c1ccc(C#N)[nH]1)C1CC1 1524325763 KSSCJQKZSLADLL-CYBMUJFWSA-N 317.349 -0.353 30 20 DBED C#CCCN1CCC(NC(=O)[C@@H]2CN3CCN2C[C@@H]3C)CC1 1527802416 ACZSUPBUTLTERH-HOCLYGCPSA-N 304.438 -0.021 30 20 DBED Cc1nnc(N2CCO[C@H](C#N)C2)n1C[C@]1(O)CCO[C@H]1C 1543339104 FUFBYQKUYKIBDI-ZKYQVNSYSA-N 307.354 -0.145 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2CCN(C[C@H](O)COC)C2)nc1 1566679060 MLPZWNZEAUNBNW-KBPBESRZSA-N 303.362 -0.126 30 20 DBED COC(=O)C1(C#N)CCN(C(=O)[C@H]2CC[C@@H](C(=O)O)O2)CC1 1571107226 WJGBDLHMXIBQMI-ZJUUUORDSA-N 310.306 -0.076 30 20 DBED CC[C@@H](C)C[C@H](NC(=O)Cn1cc(C#N)c(O)nc1=O)C(=O)O 1571154362 WXHFBOYFYPVLJV-SCZZXKLOSA-N 322.321 -0.174 30 20 DBED Cc1cc(C#N)c(O)nc1C(=O)N[C@@H]1CN(C(=O)O)C[C@H]1CO 1574128035 RZMHXZPBHBYVHX-VHSXEESVSA-N 320.305 -0.332 30 20 DBED C=C(C)C[C@@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)C(=O)OC 1588405927 QODFTISWMAEBHQ-MRVPVSSYSA-N 320.313 -0.918 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCO[C@@H](CC(=O)O)C1 1589330843 RUYBJSXXOIGXKV-UWVGGRQHSA-N 305.356 -0.502 30 20 DBED COC(=O)CC[C@@H](NC(=O)[C@H](C)n1cnc(C#N)n1)C(=O)O 1598856775 ZZYZANPAXOSQFH-JGVFFNPUSA-N 309.282 -0.767 30 20 DBED CC[C@H](CC#N)Nc1c(-c2nn[nH]n2)c(=O)n(C)c(=O)n1C 1604013905 PIFFPCDBPLXMQY-SSDOTTSWSA-N 304.314 -0.632 30 20 DBED COC(=O)CCNC(=O)CCNC(=O)[C@](C)(C#N)CC(=O)O 1604318063 NMBQQLLGFJXSCU-ZDUSSCGKSA-N 313.310 -0.823 30 20 DBED Cc1nn(C)c(N2CCN(CCC#N)CC2)c1-c1nn[nH]n1 1606110282 QJGDWKSYGQUPRV-UHFFFAOYSA-N 301.358 -0.056 30 20 DBED O=c1cnnc(S)n1N=Cc1ccccc1-c1nn[nH]n1 1607090394 ILVKACWWPSWZOL-UHFFFAOYSA-N 300.307 -0.011 30 20 DBED N#Cc1c(CN2CCN(CC(N)=O)CC2)cccc1C(=O)O 1608190722 JHWIVXCVXSBFJF-UHFFFAOYSA-N 302.334 -0.141 30 20 DBED Cn1[nH]cnc1=NC(=O)[C@H](C#N)Cc1ccc(-c2nn[nH]n2)cc1 1609483027 FCACEBSZRUGUTM-NSHDSACASA-N 323.320 -0.262 30 20 DBED CC#CCN1CCN(CCCNC(=O)[C@@H]2CCC(=O)N2)CC1 1752355607 WJTMPQPHIUHPHU-AWEZNQCLSA-N 306.410 -0.588 30 20 DBED C#CCNC(=O)CN1CCCC[C@H]1CNC(=O)c1cnn[nH]1 1752828275 UGKQQJQHRTWSNV-NSHDSACASA-N 304.354 -0.862 30 20 DBED C#Cc1cncc(C(=O)NC[C@@H](C)NCCS(C)(=O)=O)c1 1752899765 SHTVINBCRCXULA-LLVKDONJSA-N 309.391 -0.185 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC[C@@H](NC(=O)[C@H]2CCCN2C)C1 1753368521 XLUZGFYUSWRQTN-RRFJBIMHSA-N 320.437 -0.201 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1CC(NC(=O)[C@@H](C)C#N)C1 1753373192 NQPIGKVRCGSRQK-UWVGGRQHSA-N 307.354 -0.653 30 20 DBED N#CCSCC(=O)N1C[C@@H]2C[C@H]1CN2CCN1CCNC1=O 1753417400 PUAMCWLDFYMNGO-RYUDHWBXSA-N 323.422 -0.447 30 20 DBED CC[C@H](CNC(=O)c1cnn(CC)c1)NCC(=O)NCC#N 1753469272 XEHKOPHHUJEUJR-GFCCVEGCSA-N 306.370 -0.359 30 20 DBED Cc1nc(O)nc(O)c1CC(=O)NC[C@H]1CN(CC#N)CCO1 1753653424 BBLLNKHHNBCWFI-JTQLQIEISA-N 321.337 -0.921 30 20 DBED C=CCNC(=O)CNC[C@H](O)CNC(=O)c1cc(Cl)c[nH]1 1753903983 DIANEDUTJSEUCX-JTQLQIEISA-N 314.773 -0.349 30 20 DBED C#CCNC(=O)CNC[C@H](C)NC(=O)Cc1csc(C)n1 1754293122 HGNHBEWYJPEREF-JTQLQIEISA-N 308.407 -0.162 30 20 DBED C#CCNC(=O)CN1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1cscn1 1754420180 DJODLAWSOYMXJI-SUZMYJTESA-N 304.375 -0.305 30 20 DBED COCC#CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)CCCCNC(N)=O 1754425371 CUKGLLGIKJPQLB-IPYPFGDCSA-N 322.409 -0.336 30 20 DBED CCc1cc(C(=O)N(C)C2CN(CC(=O)NCC#N)C2)no1 1754585584 ZUKKMTJEGYITJV-UHFFFAOYSA-N 305.338 -0.367 30 20 DBED C[C@]1(NC(=O)Cc2ncc[nH]2)CCN(CC(=O)NCC#N)C1 1754681835 IXSMQIWYARXGBJ-AWEZNQCLSA-N 304.354 -0.827 30 20 DBED C=CCN1CC[C@H](N2CC[C@@](O)(CNC(=O)C3CC3)C2)C1=O 1754745130 UNVPAAVFKIFZIX-XJKSGUPXSA-N 307.394 -0.264 30 20 DBED C#CCNC(=O)[C@H](C)N1CC(O)(CNC(=O)CC2CCCC2)C1 1754764164 RCBJCAZTCCUXMW-ZDUSSCGKSA-N 321.421 -0.133 30 20 DBED C=CCOCC(=O)N[C@]1(CO)CCCN(Cc2cnon2)C1 1754853233 WRKRPWAYDJDMFA-CQSZACIVSA-N 310.354 -0.285 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCO[C@@H](CNCc2ncnn2C)C1 1754999056 AMDAYCBUOOVLNY-SWLSCSKDSA-N 323.397 -0.541 30 20 DBED C=C(C)CN1CC2(C[C@H](NC(=O)C[C@@H](C)NC(N)=O)CO2)C1 1755061416 KDPYZZPNCKHQAG-NEPJUHHUSA-N 310.398 -0.031 30 20 DBED C#CCN(C)CCOCCNC(=O)[C@@H]1CCc2nnc(O)n2C1 1755542059 WSDPIZFPPNHFFO-GFCCVEGCSA-N 321.381 -0.756 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H](CO)CNC(=O)c1ccccc1 1755620748 BNXLQMKDIHDZTA-TZMCWYRMSA-N 303.362 -0.495 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H](CO)CNC(=O)c1ccc(F)nc1 1755622883 OYWJIEBGFPWSPD-CMPLNLGQSA-N 322.340 -0.961 30 20 DBED C#CCN[C@H]1C[C@@H](C)N(C(=O)CS(=O)(=O)NC(C)(C)C)C1 1755694923 XFLIMIGGTVPSAS-NEPJUHHUSA-N 315.439 -0.084 30 20 DBED C#CCNC(=O)CN(C)C[C@@H](O)CN(C)C(=O)[C@H](C)C1CCC1 1755802165 QMIAYTMOIASAHQ-UKRRQHHQSA-N 323.437 -0.077 30 20 DBED CN(C(=O)CSCC#N)C1CC(NCCS(C)(=O)=O)C1 1755852855 BEPSGOARMQRKRD-UHFFFAOYSA-N 319.452 -0.133 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1CC(NC(=O)CNC(C)=O)C1 1755927907 XXKYVKFNNCZUBI-PKSQDBQZSA-N 309.366 -0.828 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](CCCC)NC(=O)C(N)=O 1756116689 QRYITSHKWBORJE-UTUOFQBUSA-N 311.382 -0.146 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H](CO)CNC(=O)c1ccsn1 1756530161 AMRFEESOIWSYJY-ZJUUUORDSA-N 311.363 -0.612 30 20 DBED C=CCCC(=O)N[C@@H](CO)CNC(=O)c1ccc2nnnn2c1 1756534564 YYFLVVYQCMAAMM-LLVKDONJSA-N 318.337 -0.703 30 20 DBED Cn1c(N)c(C=NNc2ccc(C(=O)O)nc2)c(=O)n(C)c1=O 1776069760 BHURWAUOJUPGNB-UHFFFAOYSA-N 318.293 -0.795 30 20 DBED N#CCC(=O)N1CCO[C@@]2(CCN(C(=O)Cn3nccn3)C2)C1 1781419727 SWEPYHIKSLSJCZ-CQSZACIVSA-N 318.337 -0.978 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cscn1)C2 1800451309 WFQRABOWHYYAMT-DDFAGTSDSA-N 305.359 -0.021 30 20 DBED C[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)S)C2 1800755700 LVZZSOJPRMGQLA-MFDAYCCISA-N 302.396 -0.725 30 20 DBED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)[C@@H](C)CN)C1 1842866578 GQNZWSLWPDDKCM-QWHCGFSZSA-N 307.394 -0.177 30 20 DBED C=C[C@H](O)C(C)(C)C(=O)N1CCCC12CN(C(=O)[C@@H](N)CN)C2 1844236653 ZIBBOPXDFPXQPW-RYUDHWBXSA-N 324.425 -0.951 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(CC(=O)N(CC)CC)CC1 42539564 BZJMWFVKKWLXGX-AWEZNQCLSA-N 308.426 -0.390 30 20 DBED C#CCCN1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC1 65945083 ZOPYTNCJUQMMSS-UHFFFAOYSA-N 301.350 -0.899 30 20 DBED CC[C@H](CC#N)OC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 188049720 XFYVDXNWBXXVRK-SECBINFHSA-N 319.321 -0.331 30 20 DBED N#Cc1nnc2ccccc2c1N1CCN(S(N)(=O)=O)CC1 265753984 DIAZFYLTWARNNI-UHFFFAOYSA-N 318.362 -0.173 30 20 DBED C#CCNC(=O)[C@@H](C)Nc1cnn(CCN2CCOCC2)c1 273815721 BMHSBXAEVYRXDI-CYBMUJFWSA-N 305.382 -0.235 30 20 DBED C=CCn1c(S(=O)(=O)[C@@H](C)C(=O)NCCCC)n[nH]c1=O 283844332 FQYULXVODMOFMW-VIFPVBQESA-N 316.383 -0.164 30 20 DBED N#Cc1ccc(NC(=O)NCCOCCS(N)(=O)=O)cc1 285702007 OIVHYRXLXRYBBX-UHFFFAOYSA-N 312.351 -0.015 30 20 DBED CC/N=C(/O)CN1CCCN(C(=O)[C@H]2COCCN2C)CC1 328961191 QNQPWQWYGMHJPR-CYBMUJFWSA-N 312.414 -0.172 30 20 DBED CS(=O)(=O)N1CCN(/C(O)=N/[C@@H]2CCN(C3CC3)C2)CC1 329332306 ZVRDJROUUVZQLQ-LLVKDONJSA-N 316.427 -0.286 30 20 DBED CCN1CCC[C@@H](CN/C(O)=N/CCNS(C)(=O)=O)C1 330435278 YFXVSTUCFDHNAM-NSHDSACASA-N 306.432 -0.229 30 20 DBED CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCN2C(=O)NC(=O)[C@H]2C1 330706767 MBEWMRIUCWFKMD-UEKVPHQBSA-N 321.381 -0.335 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)NCCCN2CCCCC2)CCO1 336882069 BNGRQCDPMSDQQS-CYBMUJFWSA-N 316.427 -0.079 30 20 DBED CC1CCN(CCNS(=O)(=O)N2CCO[C@H](C#N)C2)CC1 336927150 XUJRQWCOEIJEOE-CYBMUJFWSA-N 316.427 -0.223 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)NCC(=O)NCC1CC1 336932664 CSMDVABJQGRXQE-JTQLQIEISA-N 302.400 -0.171 30 20 DBED C[C@@H]1[C@@H](C)N(S(=O)(=O)N2CCO[C@H](C#N)C2)CCN1C 336936975 GNNBRUXFJFWKAI-IJLUTSLNSA-N 302.400 -0.520 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N[C@H](CO)C1CCOCC1 337781947 UJKXSIAXWKGTES-ZYHUDNBSSA-N 305.400 -0.158 30 20 DBED Cc1ccc2c(c1)C(=O)N(CC(=O)NCC(=O)NCC#N)C2=O 344110840 GOYGLIWCDLTKMB-UHFFFAOYSA-N 314.301 -0.653 30 20 DBED C=CCNC(=O)CNC(=O)Nc1nc2nc(C)cc(C)n2n1 346768381 NDZVTDUJCLPNHG-UHFFFAOYSA-N 303.326 0.165 30 20 DBED N#CCNC(=O)CNC(=O)Nc1ccc2c(c1)S(=O)(=O)CC2 350195617 WZGMYEZFMGESJP-UHFFFAOYSA-N 322.346 -0.222 30 20 DBED N#Cc1ccc(S(=O)(=O)N[C@H](CO)C(N)=O)cc1Cl 352627222 SXKAXGATOYVHFZ-SECBINFHSA-N 303.727 -0.664 30 20 DBED C[C@H]1CN(CC(C)(C)O)CCN1C(=O)NCC(=O)NCC#N 358313147 NFEJISRFYHVAJA-NSHDSACASA-N 311.386 -0.887 30 20 DBED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CC(CC(N)=O)C2)n1 362287412 UQJIXCMSGPZTLO-UHFFFAOYSA-N 318.337 -0.392 30 20 DBED CC[C@@](COC)(NS(=O)(=O)N(C)CCC#N)C(=O)OC 416520467 WYAWJTWPRUZREE-NSHDSACASA-N 307.372 -0.366 30 20 DBED C#CCN1CCN(C(=O)Cn2cnc3c(c2=O)CCCC3)CC1 490891545 GAAZDOXPUGDAHV-UHFFFAOYSA-N 314.389 -0.101 30 20 DBED C#CCNC(=O)C1CCN(CCCNS(=O)(=O)CC)CC1 491191954 JMWWENUEXRLEFY-UHFFFAOYSA-N 315.439 -0.223 30 20 DBED N#Cc1ccc(CN2CCC[C@@H](CNS(N)(=O)=O)C2)nc1 571222767 XVYLPHPDKRNGQU-LBPRGKRZSA-N 309.395 -0.042 30 20 DBED C=CCOC[C@H](NS(=O)(=O)c1c(C)nn(C)c1C)C(=O)O 573087683 PGFXUVYGZZNNRP-JTQLQIEISA-N 317.367 -0.029 30 20 DBED Cc1[nH]nc(NC(=O)Cn2nc3n(c2=O)CCCC3)c1C#N 593894263 JQZOQQDCYCEJRP-UHFFFAOYSA-N 301.310 -0.077 30 20 DBED Cc1cc(C)c(C#N)c(NC(=O)CN2C(=O)C(=O)N(C)C2=O)n1 598853138 MATOINPVTNSVQP-UHFFFAOYSA-N 315.289 -0.071 30 20 DBED CC(C)C[C@@H](C#N)NC(=O)CNS(=O)(=O)c1cnn(C)c1 608826093 ZTWZDJLKOKPABQ-JTQLQIEISA-N 313.383 -0.247 30 20 DBED C=C[C@@H](Nc1ccn(CC(=O)N2CCOCC2)n1)C(=O)OC 619703179 XEAVDOJEBZNWKL-LLVKDONJSA-N 308.338 -0.119 30 20 DBED CCOC[C@@H](C(=O)OC)N(C)S(=O)(=O)N(C)[C@H](C)CC#N 619750873 LCEHXORJCSMRCK-MNOVXSKESA-N 321.399 -0.025 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)c2cnc(O)n2C)CC1 630621093 PKVNFNRRONDDAA-UHFFFAOYSA-N 307.354 -0.814 30 20 DBED C=C(Br)CNC(=O)CCn1cc[nH]c(=O)c1=O 727852756 BILVATRXOYJOPT-UHFFFAOYSA-N 302.128 -0.049 30 20 DBED C#Cc1ccc(C(=O)NCCN2CCN(C(C)=O)CC2)nc1 728961090 SKCLQBFWVYPVBM-UHFFFAOYSA-N 300.362 -0.043 30 20 DBED CCOC(=O)C1=C(CN2CCO[C@H](C#N)C2)NC(=O)N[C@@H]1C 730062406 NRGOQUAMRLTLBI-NXEZZACHSA-N 308.338 -0.271 30 20 DBED N#Cc1cccc(OCC(=O)N2CC[C@@H](S(N)(=O)=O)C2)c1 732664184 KBFPUOICTDAFQJ-GFCCVEGCSA-N 309.347 -0.174 30 20 DBED C#Cc1cccc(NC(=O)CNC(=O)c2nccnc2C(N)=O)c1 742245858 SRDIXWDQBYTIMH-UHFFFAOYSA-N 323.312 -0.075 30 20 DBED C#CCNC(=O)CN1CC[S@](=O)C[C@@H]1c1cnn(CC)c1 753810313 IWXLCWFKBMZPQF-ASSNKEHSSA-N 308.407 -0.242 30 20 DBED C#CCNC(=O)COC(=O)c1ccc(S(=O)(=O)CC)cc1N 761258505 DYEBCIXPUILEEO-UHFFFAOYSA-N 324.358 -0.031 30 20 DBED NC(=O)NC(=O)CCNC(=O)C#Cc1ccc2c(c1)OCO2 762240566 HNSZULQYTSSAKT-UHFFFAOYSA-N 303.274 -0.532 30 20 DBED CNC(=O)C1(C(=O)NS(=O)(=O)CC(C)(C)C#N)CCC1 776143239 NWDSRJNSPIMMNW-UHFFFAOYSA-N 301.368 -0.102 30 20 DBED CNC(=O)NCCC(=O)NS(=O)(=O)CC1(C#N)CCC1 797100753 XGIUHLAFFBFEPU-UHFFFAOYSA-N 302.356 -0.555 30 20 DBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCC[S@@](C)=O 804996377 BDOYNDDLPLMWMQ-SULUTDIPSA-N 302.396 -0.422 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](C)C(C)(F)F)CC1 831579965 SYBKMYCKJBLMTA-SNVBAGLBSA-N 323.365 -0.111 30 20 DBED C=CCS(=O)(=O)CCNC(=O)NC[C@H]1CC(=O)N(CC)C1 845107715 PKBUKHJYIZVDST-LLVKDONJSA-N 317.411 -0.245 30 20 DBED CS(=O)(=O)C1CN(C(=O)NCCNc2ncccc2C#N)C1 853481872 MKVOJFHDRZMVGQ-UHFFFAOYSA-N 323.378 -0.196 30 20 DBED N#CCCN1CCN(C(=O)C(=O)NC[C@H]2CCC=CO2)CC1 875194626 IHQWJNOVQRVCAU-CYBMUJFWSA-N 306.366 -0.147 30 20 DBED CC(=NNC(=S)NCCN1CCOCC1)c1cnn(C)c1 920827724 ZBCUQZPIJIBOSA-UHFFFAOYSA-N 310.427 -0.060 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)c1c[nH]c(=O)cn1 939600992 VMRPXVWJVIAGOU-ZWNOBZJWSA-N 314.345 -0.240 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)[C@@H]3CCC(=O)N3)C2)[nH]1 941883168 LWHYMRNIGKGXED-MNOVXSKESA-N 315.333 -0.504 30 20 DBED C=CCn1cccc1C(=O)NC1CCN(C(=O)C(N)=O)CC1 948084151 OITXZHSCPOORHD-UHFFFAOYSA-N 304.350 -0.120 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]1CNC(=O)c1cc(C(N)=O)ccn1 951034349 XNZJWNAJJNZYTE-KOLCDFICSA-N 315.333 -0.329 30 20 DBED C=CCCN1C[C@@H](O)[C@@H](CNC(=O)c2cccn3nnnc23)C1 958092766 XVYSEGSTTCAJBH-WCQYABFASA-N 316.365 -0.277 30 20 DBED N#CCN1C[C@@H](O)[C@@H](CNC(=O)c2csc3cncn23)C1 958454006 SCDCGWHRKOUNNV-GXSJLCMTSA-N 305.363 -0.058 30 20 DBED C#CCCN1C[C@@H](O)[C@H](CNC(=O)c2cc(COC)on2)C1 958459403 PNOSUFQDHLODQK-BXUZGUMPSA-N 307.350 -0.133 30 20 DBED CC#CCN1C[C@H](O)[C@H](CNC(=O)c2c(C)nn(C)c2F)C1 958631810 XKWOEBDWOXPHBW-NEPJUHHUSA-N 308.357 -0.087 30 20 DBED C=CCN1C[C@@H](O)[C@H](CNC(=O)C2CCN(C(N)=O)CC2)C1 958662416 SLYBURJZODHUNO-CHWSQXEVSA-N 310.398 -0.628 30 20 DBED N#CCN1C[C@@H]2C(NC(=O)c3cncc(-n4ccnn4)c3)[C@H]2C1 961382373 RVSDJDZRHOUIKA-STQMWFEESA-N 309.333 -0.154 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)C1CCN(C)CC1 964237859 PZSWLIQNWUYDGJ-TZMCWYRMSA-N 322.409 -0.169 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C2CN(C(=O)[C@H]3CCCO3)C2)CC1 967246324 YOJFFDCAFFNPMS-TZMCWYRMSA-N 320.393 -0.320 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2CN(CC(N)=O)CC[C@@H]2C)cn1 968562725 VWPHZJCYOPXLDW-FZMZJTMJSA-N 300.362 -0.012 30 20 DBED C#CCCN1CC[C@@H](C)[C@H](NC(=O)CN2C(=O)CN(C)C2=O)C1 968628140 SVSUDFOWQAOXMS-CHWSQXEVSA-N 320.393 -0.270 30 20 DBED C[C@@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)c1nnn(C)n1)C2 969811377 KXGCTGSNPSZBKH-GUBZILKMSA-N 303.326 -0.815 30 20 DBED COCCN1C[C@@H](C(=O)N2CC[C@H](N(C)CC#N)C2)CC1=O 971632677 GREUSXDOLQKSSP-STQMWFEESA-N 308.382 -0.462 30 20 DBED CC#CCN1CCO[C@]2(CCN(C(=O)[C@@H]3CCNC3=O)C2)C1 972493606 CZHNPCJSAACFKG-CZUORRHYSA-N 305.378 -0.551 30 20 DBED C#CCN(C)[C@@H]1CCN(C(=O)Cc2c(C)nc(O)nc2O)C1 972604511 RTQNQKBUGDDNPG-LLVKDONJSA-N 304.350 -0.095 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2cnn[nH]2)C1 973410377 JCRVNADQLQLOOM-GVXVVHGQSA-N 316.365 -0.721 30 20 DBED CCN1CCO[C@@H](C(=O)N[C@H]2[C@@H]3CN(C(=O)[C@@H](C)C#N)C[C@@H]32)C1 976606538 RAYVBOMPIDXSRL-ODXJTPSBSA-N 320.393 -0.560 30 20 DBED C#CCN1C[C@@H]2C(CNC(=O)c3ccnc4nc(C)nn34)[C@H]2C1 978942885 SVUOSNBDQXBSOE-CHWSQXEVSA-N 310.361 -0.026 30 20 DBED C#CCN1CCCC2(C1)CN(C(=O)[C@H]1COCCN1C(C)=O)C2 982158266 HVVBAWCEGPCQMM-OAHLLOKOSA-N 319.405 -0.209 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CCNC(=O)C2)C1 990810314 JIUDEKZVDSXDFO-RTXFEEFZSA-N 321.377 -0.569 30 20 DBED C#CCN[C@H]1CN(C(=O)CC[C@H]2NC(=O)NC2=O)CC1(C)C 996582998 FJHLWYJIXZATDY-MNOVXSKESA-N 306.366 -0.566 30 20 DBED Cn1cc(C(=O)NC2CN(C(=O)C#CC3CC3)C2)ncc1=O 997525384 NKDTXQQPZYVXMQ-UHFFFAOYSA-N 300.318 -0.866 30 20 DBED C[C@H](C#N)C(=O)N1CCCC2(CN(C(=O)Cn3ncnn3)C2)C1 1010674978 OGWRNOIFPJFVHQ-LLVKDONJSA-N 317.353 -0.716 30 20 DBED COCCn1cc(C(=O)N[C@@H]2CCN(CC#N)C2)ccc1=O 1015092559 VKGRLBIMSLBVSY-CYBMUJFWSA-N 304.350 -0.178 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCN([C@H]3CCNC3=O)C2)nn1 1015811460 GWJIZEDSCHBSSE-PWSUYJOCSA-N 304.354 -0.843 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2C[C@H](NCc3nc(O)n[nH]3)C2)nc1 1020946596 IWWVKBFAXSTBIM-XYPYZODXSA-N 312.333 -0.063 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2C[C@H](NCc3nnnn3C)C2)cn1 1020947914 LQMODCFYEHOARN-JOCQHMNTSA-N 311.349 -0.363 30 20 DBED CCc1nc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2O)co1 1023468790 GHELJFWMTQKZQE-IQJOONFLSA-N 306.322 -0.302 30 20 DBED C=C1CC(C)(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCNC3=O)C2)C1 1025007761 IYXPHOIKNYZLPA-IJLUTSLNSA-N 321.377 -0.833 30 20 DBED N#Cc1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC34CC4)C2)[nH]1 1025788643 RQNCNSYIULNWDD-RAIGVLPGSA-N 314.345 -0.012 30 20 DBED N#Cc1c[nH]c(C(=O)NC2CN(CCN3CCNC3=O)C2)c1 1030196915 SIQHCPKLZYZCKE-UHFFFAOYSA-N 302.338 -0.674 30 20 DBED C=C(C)CN1CC(CNC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 1031886350 HCSVALGYSWHCHC-UHFFFAOYSA-N 316.369 -0.068 30 20 DBED C=CCN1CC[C@H](N2CC(CNC(=O)c3nc[nH]n3)C2)C1=O 1032058159 HOAJBAQVRTYPRY-NSHDSACASA-N 304.354 -0.747 30 20 DBED C=CCN1CC[C@H](N(CC)C(=O)[C@@H]2CCS(=O)(=O)N2)C1 1034044070 JNYVBQIUASREBC-RYUDHWBXSA-N 301.412 -0.213 30 20 DBED C=C(Cl)CN1CCO[C@H](CNC(=O)[C@@H]2COC(=O)N2)C1 1035351974 JJSIZHNYUPQMQY-ZJUUUORDSA-N 303.746 -0.336 30 20 DBED C=CCN1CCO[C@@H](CNC(=O)[C@@H]2CN3CC4CC3(CO2)C4)C1 1035445230 BEOCZRPSZIGIHP-GWUWNPHMSA-N 321.421 -0.147 30 20 DBED C#Cc1cncc(C(=O)NC[C@@H]2CN([C@H](C)C(N)=O)CCO2)c1 1035505435 JQISRHRSIFMHDG-BXUZGUMPSA-N 316.361 -0.633 30 20 DBED C[C@H](C(=O)N1CCC2(CC1)CN(CC#N)C2)N1C(=O)CCC1=O 1035717793 SZQANXJYFSRJQI-GFCCVEGCSA-N 318.377 -0.028 30 20 DBED N#Cc1cc(C(=O)NC[C@H]2CCN2[C@H]2CCCNC2=O)c[nH]1 1038173671 CCRGROSKWLXHLU-OLZOCXBDSA-N 301.350 -0.031 30 20 DBED C=CCCC(=O)N1CC[C@](O)(CNC(=O)C2CN(C(C)=O)C2)C1 1039571040 CELOZJUGQSIRDF-INIZCTEOSA-N 323.393 -0.490 30 20 DBED C#CCOCCC(=O)N1CC[C@](O)(CNC(=O)[C@H](F)CC)C1 1040556021 DKOMIXSZCVUCJZ-DOMZBBRYSA-N 314.357 -0.146 30 20 DBED C=CCCC1(C(=O)N2CC[C@@](O)(CNC(=O)C(N)=O)C2)CC1 1040743911 QSTGIQMHAWMFDV-OAHLLOKOSA-N 309.366 -0.702 30 20 DBED N#Cc1nccc(N2C[C@@H](O)[C@H](NC(=O)C3=COCCC3)C2)n1 1040946956 WEMWJKBSIXCDSU-VXGBXAGGSA-N 315.333 -0.292 30 20 DBED C#CCN1CC[C@]2(CCN(C(=O)[C@@H]3CN(C(C)=O)CCO3)C2)C1 1041810450 FEPVNOMLAWXRSX-RDJZCZTQSA-N 319.405 -0.209 30 20 DBED N#CCN1CC[C@]2(CCN(C(=O)C[C@@H]3CC(=O)NC3=O)C2)C1 1041861824 UNLSWUCGUBUSRF-NHYWBVRUSA-N 304.350 -0.513 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(O)(CNC(=O)[C@H](CC)OC)C1 1041904231 FBKMOMDQBHWWHC-SMDDNHRTSA-N 314.382 -0.572 30 20 DBED C#CCN1CC[C@@H]2CCN(C(=O)c3nnc(O)nc3O)C[C@H]21 1042135376 UXHWOFMFYLSSKE-NXEZZACHSA-N 303.322 -0.548 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)CC[C@H]2CCOC2)C1 1042454178 IXBHEOCVFNBUJR-NEPJUHHUSA-N 309.366 -0.348 30 20 DBED CO[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1NC(=O)c1cc[nH]n1 1042764357 LEYQHSPFBNOZFF-VXGBXAGGSA-N 313.321 -0.295 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCN(C)[C@@H]2C)C1 1042804686 GCFHHODGRLZNOP-ZIAGYGMSSA-N 321.421 -0.180 30 20 DBED C[C@H]1OCCC[C@H]1C(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1042809233 JCUPPLXUZOUROW-TZMCWYRMSA-N 320.389 -0.096 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)c2csc(O)n2)C1 1042942931 GTFAZEMMUBCVAA-UHFFFAOYSA-N 323.374 -0.189 30 20 DBED O=C(C#CC1CC1)NCC1(O)CN(C(=O)[C@H](F)C(F)(F)F)C1 1042964360 DPZDSAJXGTWDDF-JTQLQIEISA-N 322.258 -0.010 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)c2ccc(C)nn2)C1 1042972499 GTSFPWMIZWPRBW-UHFFFAOYSA-N 316.361 -0.108 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)[C@H]2CC23CCC3)C1 1043039439 CMTNZXIFHBVEQH-CHWSQXEVSA-N 320.389 -0.096 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)C[C@H]2CCOC2)C1 1043039607 IGAMBNGTAXBICW-CHWSQXEVSA-N 324.377 -0.859 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)[C@@H]2CC2(F)F)C1 1043040659 VRIAJSKTDZBAFW-UWVGGRQHSA-N 316.304 -0.631 30 20 DBED N#Cc1cncc(N2C[C@H](O)[C@H](NC(=O)C[C@@H]3CCOC3)C2)n1 1043885436 BTTJKYUGDLATEZ-UHTWSYAYSA-N 317.349 -0.559 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)[C@@H]2CCC(=O)N2)C1 1044460521 UCPFUGXMUGLQAJ-JTQLQIEISA-N 309.366 -0.833 30 20 DBED Cc1ccn(CC(=O)N2CC(O)(CNC(=O)[C@H](C)C#N)C2)n1 1045554337 CLYYRVNGNZWYOC-SNVBAGLBSA-N 305.338 -0.959 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@H](C)C#N)C1 1045555327 PVWVBWVFJVTBNA-UTUOFQBUSA-N 307.350 -0.573 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)CCc2cnc[nH]2)C1 1045565494 YNDCJXVEDBZKLN-JTQLQIEISA-N 305.338 -0.809 30 20 DBED N#Cc1nccnc1N[C@H]1C[C@H](CNC(=O)[C@H]2CNC(=O)N2)C1 1047009083 AVTSQQQEZVZECG-FXPVBKGRSA-N 315.337 -0.664 30 20 DBED CC(=O)Nc1nc(C(=O)N(C)[C@H]2CN(CC#N)C[C@@H]2O)cs1 1047438475 KKYXDYJUFKLUGH-QWRGUYRKSA-N 323.378 -0.258 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)c2cc(F)c[nH]2)C[C@@H]1O 1049402033 NREUIIQABGFCPU-ZHAHWJHGSA-N 308.313 -0.043 30 20 DBED N#CCN1CCOC[C@H]1CNC(=O)[C@H]1CCCc2nn[nH]c21 1051087133 QDKGUXVVODCQQQ-MNOVXSKESA-N 304.354 -0.435 30 20 DBED N#Cc1c[nH]ccc1=NC1CC(CNC(=O)[C@@H]2COC(=O)N2)C1 1051926762 XTFNCARVKAZAQC-OCTTZUBCSA-N 315.333 -0.210 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](N2CCN(CC(=O)N(C)C)CC2)C1 1051998528 VIYUYLUEZDHEMN-ZIAGYGMSSA-N 321.425 -0.547 30 20 DBED CC#CCN1CC2(CC[C@H](CNC(=O)[C@@H]3COCCN3C)O2)C1 1053592601 OMSFQMDGYICQKZ-CABCVRRESA-N 321.421 -0.310 30 20 DBED C#CCCN1CC2(CC[C@@H](CNC(=O)[C@H]3CCNC3=O)O2)C1 1053640589 BSHHEJBATSMVAG-STQMWFEESA-N 305.378 -0.505 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)c3cnn4cc[nH]c34)CO2)C1 1053990827 JKLIVJUJMJCBQJ-SNVBAGLBSA-N 300.322 -0.241 30 20 DBED N#Cc1nccnc1N1CCN(C(=O)C2=COCCO2)CC1 1055712382 HRLAIHZEMCEGIV-UHFFFAOYSA-N 301.306 -0.115 30 20 DBED CC(C)(C)C#CC(=O)N[C@]1(CO)CCCN(C(=O)CC(N)=O)C1 1055940357 MEFORLDHLGPKBL-MRXNPFEDSA-N 323.393 -0.619 30 20 DBED C=C(C)C[C@@H](C)C(=O)N[C@]1(CO)CCCN(C(=O)C(N)=O)C1 1056065998 SEZFZOJKWIMXOU-IAQYHMDHSA-N 311.382 -0.456 30 20 DBED N#Cc1cnc(N2C[C@H]3C(NC(=O)Cc4cncnc4)[C@@H]3C2)cn1 1056192191 XALTWDRDFANONM-CHWSQXEVSA-N 321.344 -0.068 30 20 DBED Cc1nc(CC(=O)NC2[C@@H]3CN(c4ccc(C#N)nn4)C[C@@H]23)n[nH]1 1056203942 QFRXUKOMNJFORJ-GHMZBOCLSA-N 324.348 -0.432 30 20 DBED CN1CC[C@H](C(=O)NC2[C@H]3CN(c4nccnc4C#N)C[C@H]23)C1 1056228736 UBYRMNMTZWIOQU-SRVKXCTJSA-N 312.377 -0.149 30 20 DBED C=C(C)CCC(=O)N(CCO)CCNC(=O)c1ncn(C)n1 1057804859 XXUCDKRQIZOQMX-UHFFFAOYSA-N 309.370 -0.278 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)c1cncnc1O 1057927005 TUCLSZOWQHBNFR-UHFFFAOYSA-N 320.349 -0.464 30 20 DBED N#Cc1cncc(N2CC[C@@H](NC(=O)[C@@H]3CCNC3=O)C2)n1 1058507490 GJBKZHANWQUHOQ-MWLCHTKSSA-N 300.322 -0.821 30 20 DBED C#CCCCCC(=O)N1CCOC[C@H]1CNC(=O)CNC(C)=O 1061217526 SAQLLOJWQOVFDM-CQSZACIVSA-N 323.393 -0.340 30 20 DBED N#Cc1ccc(N2CCC[C@@H]2CNC(=O)[C@H]2COCCO2)nn1 1061298413 MFOWZPVMONCBLH-CHWSQXEVSA-N 317.349 -0.151 30 20 DBED N#Cc1nccc(N2CCC[C@H]2CNC(=O)[C@H]2CCNC2=O)n1 1061422610 MHKCZTNWUDUEHU-QWRGUYRKSA-N 314.349 -0.431 30 20 DBED C=CCOCC(=O)NC[C@@H]1COCCN1C(=O)[C@H](O)C(C)C 1061423887 NVFUZAHSNAJZMK-TZMCWYRMSA-N 314.382 -0.451 30 20 DBED C=CCOCC(=O)NC[C@@H]1COCCN1C(=O)Cc1cnc[nH]1 1061424472 VEPRNKYZSDOTLB-CYBMUJFWSA-N 322.365 -0.502 30 20 DBED C=C[C@H](CC)CC(=O)N1CCOC[C@@H]1CNC(=O)CC(N)=O 1061441891 AJGOCFQYLWIAKC-NEPJUHHUSA-N 311.382 -0.192 30 20 DBED C#CCNC(=O)CC(=O)N1CCOC[C@H]1CNC(=O)/C(C)=C\C 1061481339 GJFNYGAGNAPOBC-QWGHSUKYSA-N 321.377 -0.564 30 20 DBED C=CCOCC(=O)N1CCOC[C@@H]1CNC(=O)c1cn(C)cn1 1061500477 SXVCHUASQPDFKL-LBPRGKRZSA-N 322.365 -0.420 30 20 DBED C=C(C)CCC(=O)N1CCOC[C@@H]1CNC(=O)C1(C(N)=O)CC1 1061838884 QYVXOTGMMZZPAX-LBPRGKRZSA-N 323.393 -0.048 30 20 DBED N#Cc1cncc(NC[C@H]2CCCN2C(=O)[C@H]2CCNC2=O)n1 1063539464 VSDVTIAPHQZCAX-NEPJUHHUSA-N 314.349 -0.113 30 20 DBED N#Cc1cnc(N2CCO[C@H](CNC(=O)c3cn[nH]c3)C2)cn1 1063609156 BTGBGLUQDLMQCH-GFCCVEGCSA-N 313.321 -0.293 30 20 DBED N#Cc1cncc(N2CCO[C@@H](CNC(=O)c3cnn[nH]3)C2)n1 1063674894 UZOOUXYAUSFKQE-JTQLQIEISA-N 314.309 -0.898 30 20 DBED N#Cc1nccc(N2CCOC[C@@H]2CNC(=O)c2cnn[nH]2)n1 1066530361 DWAVRACXKNCSJP-VIFPVBQESA-N 314.309 -0.898 30 20 DBED C=CCCC(=O)N[C@@H]1COC2(C1)CN(C(=O)CCNC(N)=O)C2 1068756455 BWIMVPCAGOXKMH-NSHDSACASA-N 324.381 -0.503 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1COC2(C1)CN(C(=O)c1ccn(C)n1)C2 1069009377 ZAKLRBPOEZAHJN-MNOVXSKESA-N 317.349 -0.321 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2cnns2)C1 1069900321 ZQGGDNRMLYUXBG-ZJUUUORDSA-N 303.351 -0.582 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CCCN(C(=O)[C@H]2COC(=O)N2)C1 1070680075 CBLAUKJSCSRYCJ-VXGBXAGGSA-N 305.334 -0.385 30 20 DBED NC(=O)NC1(C(=O)N[C@@H]2CCCN(C(=O)C#CC3CC3)C2)CC1 1070707100 VPKCMYQOPHIFPN-GFCCVEGCSA-N 318.377 -0.292 30 20 DBED CCn1ncc(C(=O)N2C[C@H]3C[C@@H]4CN(CC#N)C[C@]3(C2)O4)n1 1070796583 JJCZIOREAKEQFV-LALPHHSUSA-N 316.365 -0.263 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCC[C@@H](NC(=O)Cn2cnnn2)C1 1070902484 IZARKEONMSDERJ-NWDGAFQWSA-N 322.369 -0.629 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CCCN(C(=O)c2[nH]nnc2C)C1 1071062755 POMKUHGZRQUDMK-VXGBXAGGSA-N 319.365 -0.128 30 20 DBED C=CCCC(=O)N[C@@H]1CCCN(C(=O)CN2C(=O)CNC2=O)C1 1071374794 ILAZMEABIZLJSB-LLVKDONJSA-N 322.365 -0.388 30 20 DBED C=CCN1C[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)CC[C@H]1C 1071860309 HIXBFFLBOAEHCM-NEPJUHHUSA-N 320.393 -0.147 30 20 DBED C[C@@H]1CN(C(=O)Cn2nccn2)C[C@@H]1NC(=O)C#CC1CC1 1072184272 SVKFERCRYHRZOV-YPMHNXCESA-N 301.350 -0.345 30 20 DBED C#CCN1CCC2(C1)CN(C(=O)Cc1ccc(C(N)=O)nc1)C2 1072854253 HYMUTSAJZLADNH-UHFFFAOYSA-N 312.373 -0.110 30 20 DBED C#CCOCCC(=O)N1CCC(O)(CNC(=O)[C@@H](C)C#N)CC1 1074586850 HYXIEHJZFVWHTK-ZDUSSCGKSA-N 321.377 -0.344 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](NC(=O)COC)C[C@H]1C 1074768402 MGVFREIOWKYIOD-VXGBXAGGSA-N 309.366 -0.732 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)c2cc(CN(C)C)on2)C1 1077274920 JGMICVVODZOYLB-ZIAGYGMSSA-N 306.366 -0.466 30 20 DBED C[C@@H](CCNC(=O)c1cnn[nH]1)NC(=O)c1cc(C#N)c[nH]1 1077294339 OVIAYXSVYRYGNR-QMMMGPOBSA-N 301.310 -0.057 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3cnnn3)cc2)C1 1078135495 CBDWVOCUMAHBGC-ZIAGYGMSSA-N 312.333 -0.930 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCN2C(=O)C(C)C)C1 1078198499 QYBYBZVGQUKJQH-MGPQQGTHSA-N 309.410 -0.019 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2cccc3nc(O)oc23)C1 1078296861 VGAKJAJQRMCIJF-GHMZBOCLSA-N 302.290 -0.168 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(Cc2nnn(C)n2)C[C@H]1C 1080472107 CTCDYQQGTWMJMP-LPWJVIDDSA-N 320.397 -0.262 30 20 DBED CC#CCCCC(=O)NC1(CO)CCN(C(=O)C(N)=O)CC1 1080951965 JOWKKUUSMXMVCE-UHFFFAOYSA-N 309.366 -0.865 30 20 DBED C=C(C)CCC(=O)NC[C@H]1CN(C(=O)Cn2nccn2)C[C@@H]1O 1081533408 KJXKVRUEULEWJF-STQMWFEESA-N 321.381 -0.430 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CCCCN1C(=O)CNC(N)=O 1081870302 TZBVWVSDCVFKSA-LBPRGKRZSA-N 324.381 -0.808 30 20 DBED CC#CCN1C[C@@H](NC(=O)[C@H]2CCCN(C(N)=O)C2)[C@H](OC)C1 1081915709 SGCIBJNCDBITRJ-BFHYXJOUSA-N 322.409 -0.384 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CCN(C)C(=O)C1 1083123493 GISVHKNMGBUTGI-MELADBBJSA-N 305.378 -0.600 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2cnc3ccccn3c2=O)C1 1083575673 JPMYOFOAMDXCDN-OLZOCXBDSA-N 312.329 -0.897 30 20 DBED CNC(=O)CC(=O)N[C@H]1CC[C@H](C)N(c2ccnc(C#N)n2)C1 1089130616 XHXFTVUZHQMZMG-QWRGUYRKSA-N 316.365 -0.042 30 20 DBED CO[C@H](C)CC(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1O 1090396117 WPRWEFYJKSTRAZ-YUSALJHKSA-N 305.338 -0.561 30 20 DBED C#CCN1CC[C@@H](NC(=O)Cc2cc(CC)nn2C)[C@H](O)C1 1090445082 MDYMPNHZPBAAJY-HUUCEWRRSA-N 304.394 -0.290 30 20 DBED Cc1nc2c(C(=O)N[C@@H]3CCN(CC#N)C[C@@H]3O)ccnc2[nH]1 1090447269 YFEFUHJIMPXZDW-NEPJUHHUSA-N 314.349 -0.045 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2c(C)nn(C)c2OC)[C@@H](O)C1 1090614907 CFLFTPACNITXSB-OLZOCXBDSA-N 320.393 -0.075 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2cc(C(N)=O)c[nH]2)[C@H](O)C1 1090675918 LOGJGLSENFBWLY-DGCLKSJQSA-N 304.350 -0.698 30 20 DBED CC(C)N(C)CC(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1091117506 MJEHQNFDNWUGIS-OLZOCXBDSA-N 318.381 -0.646 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(c2ccnc(C)n2)C[C@@H]1O 1091153159 UFZXDGJPFWKFOO-UHTWSYAYSA-N 304.350 -0.511 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)c3nccn32)C1 1092399445 SPSRJSUUUDMARM-OUAUKWLOSA-N 314.349 -0.900 30 20 DBED N#Cc1ccc(N2C[C@H]3[C@H](NC(=O)CCc4nc[nH]n4)[C@H]3C2)nn1 1093240615 ZQBAPNXSEAUIDF-HBYGRHMLSA-N 324.348 -0.350 30 20 DBED CC(C)(C(N)=O)C(=O)NC1[C@H]2CN(c3cncc(C#N)n3)C[C@H]12 1093316672 RCOQGILVOXYQKL-UWVGGRQHSA-N 314.349 -0.589 30 20 DBED Cc1cc(=NCCNC(=O)c2ccc(=O)n(C)n2)c(C#N)c[nH]1 1093621378 IMGFBVSQCIBLSG-UHFFFAOYSA-N 312.333 -0.381 30 20 DBED Cn1ncnc1COCC(=O)NCCNc1ccc(C#N)nc1 1093838251 YAFLUZWHANLICN-UHFFFAOYSA-N 315.337 -0.173 30 20 DBED CCN1C[C@H](C(=O)NCCN=c2cc[nH]c(C#N)n2)CC1=O 1094190737 WCVLUZIENPLOLO-SNVBAGLBSA-N 302.338 -0.833 30 20 DBED C[C@H](C(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1)n1cccn1 1094705020 HCBMHGNNRWWPRP-VXGBXAGGSA-N 316.365 -0.631 30 20 DBED CN1C[C@H](C(=O)NCCCNc2cnc(C#N)cn2)NC1=O 1094708631 ATKGEPCEAJTHND-SNVBAGLBSA-N 303.326 -0.710 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)c3ncoc3CC)CC2=O)C1 1094715121 HQMPDQOVEWXKTD-LLVKDONJSA-N 316.361 -0.115 30 20 DBED C[C@H](CC(=O)NCCCN(C)c1ccnc(C#N)n1)NC(N)=O 1095640403 OGJITBRVUKLFQL-SNVBAGLBSA-N 319.369 -0.262 30 20 DBED CS(=O)(=O)CC(=O)N[C@H]1C[C@H](N=c2cc[nH]cc2C#N)C1 1096996188 QQHNTBCRGKBOHD-XYPYZODXSA-N 308.363 -0.521 30 20 DBED N#Cc1nc(=N[C@H]2C[C@H](NC(=O)C(=O)NCC(F)F)C2)cc[nH]1 1097078655 VPMSMDJMMMDMKQ-ZKCHVHJHSA-N 324.291 -0.789 30 20 DBED CC#CCNCc1cn([C@@H]2CCN(C(=O)c3cnon3)C2)nn1 1098751195 JGWHCFBJONWYMO-GFCCVEGCSA-N 315.337 -0.139 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2cscn2)[C@H](O)C1 1099716333 UOWCJTZLVQUVQL-WCQYABFASA-N 309.391 -0.042 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(Cc2nccn2C)C[C@H]1O 1099741160 OQEJQGVCSXKTDC-QWHCGFSZSA-N 308.382 -0.326 30 20 DBED C=C(C)CCC(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[nH]2)C[C@@H]1O 1099855338 GMZYRZQYVVHLIA-RYUDHWBXSA-N 323.397 -0.484 30 20 DBED C=C[C@](C)(O)CC(=O)NCCN(C)c1nccn2nnnc12 1100042844 PZZGGEMMOHAJRL-ZDUSSCGKSA-N 305.342 -0.601 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2ccnc(C)n2)[C@@H](O)C1 1100113607 CUHZNHHOPAWBGW-HIFRSBDPSA-N 318.377 -0.400 30 20 DBED C#CCCN1CC[C@H](NC(=O)CCN2CCCC2=O)[C@H](O)C1 1100116093 LXYDEASJWSPXJH-UONOGXRCSA-N 307.394 -0.426 30 20 DBED C#CCNC(=O)CC(=O)NCC1CC(NCc2cncn2C)C1 1100261851 SSGSXJIMYXZONO-UHFFFAOYSA-N 317.393 -0.456 30 20 DBED C=CCOCCNC1CC(CNC(=O)c2nnc(O)nc2O)C1 1100481020 SNXBMPXUOGJFHC-UHFFFAOYSA-N 323.353 -0.417 30 20 DBED Cc1cc(C#N)nc(N2CCC[C@H]2CNC(=O)CNC(N)=O)n1 1100779183 CAJYAOFMHGDMBB-NSHDSACASA-N 317.353 -0.590 30 20 DBED N#Cc1cncc(N2CCC[C@H]2CNC(=O)Cc2nc[nH]n2)n1 1100861109 SYVMUYXDNIIIMX-NSHDSACASA-N 312.337 -0.206 30 20 DBED CN(C)CCC(=O)N[C@@H]1CC2(CN(CC#N)C2)n2ccnc21 1101641031 IGFMHFJIAVDGQU-GFCCVEGCSA-N 302.382 -0.070 30 20 DBED CN(CCNc1cnc(C#N)cn1)C(=O)[C@H]1CCN(C)C1=O 1101907602 JNVSZRSIVUFLBE-NSHDSACASA-N 302.338 -0.303 30 20 DBED N#Cc1nccc(N2C[C@@H]3C[C@H]2CN3C(=O)CCCC(N)=O)n1 1102554094 VJPBMVVYAFJLKI-QWRGUYRKSA-N 314.349 -0.207 30 20 DBED CC(C)[C@@H](CNC(=O)[C@H]1COC(=O)N1)N=c1cc[nH]c(C#N)n1 1105166022 JBVJNQPHVLDDIA-NXEZZACHSA-N 318.337 -0.569 30 20 DBED C=CCNCc1cn(C2CN(C(=O)CC(=O)NCC)C2)nn1 1105219860 UUPYEAJWYPCENW-UHFFFAOYSA-N 306.370 -0.537 30 20 DBED Cc1cc(=NC[C@@H](O)CNC(=O)c2cn(C)cn2)c(C#N)c[nH]1 1105791556 AMNYBKYXSPLJNQ-GFCCVEGCSA-N 314.349 -0.380 30 20 DBED Cc1nsc(NC[C@H](O)CNC(=O)c2cn(C)nn2)c1C#N 1105816408 YQDJCMGLJIRBRG-MRVPVSSYSA-N 321.366 -0.346 30 20 DBED N#Cc1c(F)cccc1NC[C@H](O)CNC(=O)Cn1cncn1 1105839091 MOHJDNNVOGZRLM-JTQLQIEISA-N 318.312 -0.122 30 20 DBED N#Cc1nc(=NC[C@@H](O)CNC(=O)C[C@H]2CCCOC2)cc[nH]1 1105859166 YWCFRIKMICTPDZ-VXGBXAGGSA-N 319.365 -0.524 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)[C@@H]2COCCN2C)C[C@H]1C 1106023051 ZBCXWRMDHCUXLY-OAGGEKHMSA-N 323.437 -0.349 30 20 DBED C=CCNC(=O)[C@@H](C)NC[C@@H]1CN(C(=O)c2cnn[nH]2)C[C@H]1C 1106366348 PBUITZMSCMLRAY-IJLUTSLNSA-N 320.397 -0.207 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1C 1106609598 FZKMEENIVYEWQD-CHWSQXEVSA-N 307.394 -0.414 30 20 DBED COC(=O)[C@@H]1C[C@H]1C(=O)NC/C=C/CN=c1cc[nH]c(C#N)n1 1107080324 LXRXEBLRCFZAAG-WUNPDAOYSA-N 315.333 -0.336 30 20 DBED C=CCN1CC(n2cc(CNC(=O)CCc3nc[nH]n3)nn2)C1 1107156474 ZFLDSSCTXINFEE-UHFFFAOYSA-N 316.369 -0.312 30 20 DBED C#CCN1CC(n2cc(CNC(=O)CN3CC[C@@H](C)C3)nn2)C1 1107211703 XMLBSMVNPICVRB-CYBMUJFWSA-N 316.409 -0.274 30 20 DBED C[C@]1(C(=O)NC/C=C/CN=c2cc[nH]c(C#N)n2)CCNC1=O 1107508672 NIXHUSWJCNBZAM-XYBNCVKDSA-N 314.349 -0.619 30 20 DBED CCn1nc(C)c(C(=O)N[C@H](C)CN=c2cc[nH]c(C#N)n2)n1 1107826427 GVQWFNLAPGZLEX-SECBINFHSA-N 314.353 -0.080 30 20 DBED C[C@@]1(CNC(=O)c2coc(C(N)=O)c2)CN(CC#N)CCO1 1108095745 DMNAGMCLFIXLSK-CQSZACIVSA-N 306.322 -0.277 30 20 DBED CC(C)(C)C(=O)NCC(=O)NC[C@@]1(C)CN(CC#N)CCO1 1108393498 RYNSVMIPSJIAML-HNNXBMFYSA-N 310.398 -0.121 30 20 DBED COCC#CCN1CCO[C@@](C)(CNC(=O)c2ccn(C)n2)C1 1108397089 NURCPUSTPCKGBG-INIZCTEOSA-N 320.393 -0.109 30 20 DBED C=C(C)CN1CCO[C@@](C)(CNC(=O)CS(=O)(=O)NC)C1 1108405190 VDJWSVHAFYCCIG-ZDUSSCGKSA-N 319.427 -0.681 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)COCCCOC)CC2=O)C1 1108584491 IWIYGXWGEAIVJV-CYBMUJFWSA-N 323.393 -0.926 30 20 DBED C[C@@H](CN(C)c1ccnc(C#N)n1)NC(=O)C[C@H]1CCNC1=O 1109114345 JRZIUIWHZUPJLB-WDEREUQCSA-N 316.365 -0.185 30 20 DBED C[C@@H](CN(C)c1cncc(C#N)n1)NC(=O)C(C)(C)C(N)=O 1109124920 KAFDDKLLBVLWMY-VIFPVBQESA-N 304.354 -0.199 30 20 DBED C=CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCn1ncn(C)c1=O 1110854435 DWPKCTGQBANAOQ-UPJWGTAASA-N 305.382 -0.121 30 20 DBED C#CCN1C[C@@H]2CCC[C@]2(NC(=O)CN(C)C(=O)COC)C1 1111770088 NWQIITSDRUWXLZ-BBRMVZONSA-N 307.394 -0.305 30 20 DBED CCOCC(=O)NC[C@H]1CN(c2ccc(C#N)nc2)C[C@H]1O 1112692476 NYQYTPRFRLYKRK-SMDDNHRTSA-N 304.350 -0.097 30 20 DBED Cc1cc(C#N)nc(N[C@H](C)[C@@H](C)NC(=O)Cn2cnnn2)n1 1112906020 VAIUKHSODZINCQ-NXEZZACHSA-N 315.341 -0.352 30 20 DBED CN(C(=O)CC(N)=O)C1CCC(N=c2cc[nH]c(C#N)n2)CC1 1113385531 SYCUDZPWIPJJHK-UHFFFAOYSA-N 316.365 -0.173 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H](C)N(C)c1nccn2nnnc12 1113725492 VPTOLFBIWYCUON-QWRGUYRKSA-N 317.353 -0.502 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)c3cnn(C)c3)[C@H]2C1 1113841808 ICTOCUBLTCHSCO-ZZVYKPCYSA-N 315.377 -0.782 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CN(c2cncc(C#N)n2)CC[C@@H]1C 1114010540 BJBQRLQWLJKBJZ-CMPLNLGQSA-N 316.365 -0.185 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@H]1[C@@H]2CN(CC(=O)NCCC)C[C@@H]21 1114195020 ZGPVIBXVWXMUOK-OJDYBEQGSA-N 309.410 -0.114 30 20 DBED C#CCO[C@H](C)C(=O)NC1[C@@H]2CN(CC(=O)NCC(C)C)C[C@@H]12 1114273971 YGIFRFZFWQSLLP-MGPQQGTHSA-N 321.421 -0.157 30 20 DBED N#Cc1ccc(N2C[C@H]3C(CNC(=O)CNC(N)=O)[C@@H]3C2)nc1 1114500127 DAGSYYPEIUZELI-RYUDHWBXSA-N 314.349 -0.580 30 20 DBED C=CCCOCC(=O)NC1[C@@H]2CN([C@H]3CCC(=O)NC3=O)C[C@@H]12 1115330993 YCCYIAFAFGIXJJ-UTUOFQBUSA-N 321.377 -0.569 30 20 DBED COC(=O)NCC(=O)N(C)C[C@H](C)Nc1ccc(C#N)nn1 1115620593 GNEUVKHPTWOCCY-VIFPVBQESA-N 306.326 -0.037 30 20 DBED CCc1nnc(S)n1CCNC(=O)Cn1cnc(C#N)n1 1116311850 YTKAEWNXUIGQNM-UHFFFAOYSA-N 306.355 -0.591 30 20 DBED Cc1ccc(C#N)cc1NC(=O)C(=O)NN1CC(=O)NC1=O 1117438270 GZDOHWYUTCLAQL-UHFFFAOYSA-N 301.262 -0.612 30 20 DBED N#C[C@H]1CC[C@@H](NC(=O)C(=O)N2CCN3C(=O)NC[C@H]3C2)C1 1118179634 AKSRSURGPPJDQU-AXFHLTTASA-N 305.338 -0.969 30 20 DBED C#CCCn1nnnc1N1CCN(C(C)(C)C(=O)OC)CC1 1120142637 RQDZIBVOVAVLQY-UHFFFAOYSA-N 306.370 -0.230 30 20 DBED N#CCNC1(CNC(=O)[C@H]2CCS(=O)(=O)N2)CCCCC1 1120152619 ATGFHBSUCSGYPH-LLVKDONJSA-N 314.411 -0.390 30 20 DBED COCCN1CCN(C(=O)C(=O)N2CCC[C@@H](C#N)C2)CC1 1120425676 KMFVJHTYTVYMEY-ZDUSSCGKSA-N 308.382 -0.461 30 20 DBED Cc1c(C(=O)NC[C@H](CO)N=c2cc[nH]c(C#N)n2)cnn1C 1121043051 GMGCPFUBLHMLBD-SNVBAGLBSA-N 315.337 -0.985 30 20 DBED CC(C)OCCC(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1 1121135862 ISDIHLXERJAGSZ-LLVKDONJSA-N 307.354 -0.526 30 20 DBED Cc1ccc(C#N)c(N[C@@H](CO)CNC(=O)[C@@H]2COC(=O)N2)n1 1121387971 YPHDVGVHDFBMBF-MNOVXSKESA-N 319.321 -0.741 30 20 DBED C=CCn1c([C@@H](O)COC)nnc1N1CCN2C(=O)NC[C@@H]2C1 1121732578 OZAVSTRDLVSSFW-MNOVXSKESA-N 322.369 -0.642 30 20 DBED C#CCOCCC(=O)NC[C@H](CO)Nc1cncc(C#N)n1 1122027246 GXIGQTMPTZEVBS-GFCCVEGCSA-N 303.322 -0.723 30 20 DBED C#CCOCCC(=O)NC[C@@H](CO)Nc1nc(C)cc(OC)n1 1122029685 WQGNVOJFCJWULN-LBPRGKRZSA-N 322.365 -0.277 30 20 DBED C=CCn1cc(C(=O)NC[C@H](CO)Nc2ncccn2)nn1 1122634704 DECAAEXDNZCXMD-SNVBAGLBSA-N 303.326 -0.543 30 20 DBED N#Cc1nccnc1N1CC[C@]2(NC(=O)CC(N)=O)CCC[C@H]12 1123394405 OWMBDAVMUQCEMT-XHDPSFHLSA-N 314.349 -0.159 30 20 DBED CN(C[C@@H](O)CNc1nccnc1C#N)C(=O)Cn1cccn1 1124117207 OYFFLXZNTMEVMU-NSHDSACASA-N 315.337 -0.524 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)[C@H]1C[C@@H]1C(=O)OC 1124662701 NPUSHCYCPKRJGR-RYUDHWBXSA-N 324.381 -0.737 30 20 DBED CN(C[C@@H](O)CNc1nccnc1C#N)C(=O)Cc1cnc[nH]1 1124787215 WVXCJYQDZWTOIR-NSHDSACASA-N 315.337 -0.455 30 20 DBED N#Cc1cc(C(=O)NCCNCC(=O)NC[C@@H]2CCOC2)c[nH]1 1125994976 QYZVYIPSQIOPHK-NSHDSACASA-N 319.365 -0.642 30 20 DBED C#CCNC(=O)CC(=O)NCCN[C@H](C)C(=O)N[C@H](C)CC 1125998736 UNHDUFPBWKXRPY-VXGBXAGGSA-N 310.398 -0.865 30 20 DBED CN(CCOCCN=c1cc[nH]c(C#N)n1)C(=O)c1cocn1 1127223604 VDZALNWMTMONHA-UHFFFAOYSA-N 316.321 -0.041 30 20 DBED COCC#CCNCCNC(=O)COCc1ccnc(OC)c1 1130211455 GLPTWLHJBWCAHP-UHFFFAOYSA-N 321.377 -0.038 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)c1cnn(CCF)c1 1130666524 PZOPBZQECADULD-NSHDSACASA-N 311.361 -0.137 30 20 DBED C#CCCCC(=O)N1C[C@@H]2C[C@@H]3CN(CC(=O)NC)C[C@]2(C1)O3 1131220675 OTBYYKKYEIPJSQ-JJRVBVJISA-N 319.405 -0.162 30 20 DBED C[C@H]1CC[C@H](NC(=O)c2ccon2)CN1CC(=O)NCC#N 1131843062 DPSXWDXDLRJCAN-QWRGUYRKSA-N 305.338 -0.103 30 20 DBED CN1C[C@@H](C(=O)NCCNCc2ccc(C#N)cc2F)NC1=O 1132387263 QOSFXQTXLZXVIX-ZDUSSCGKSA-N 319.340 -0.073 30 20 DBED C#CCN1C[C@@H](NC(=O)COCc2ncnn2C)CC[C@H]1C 1132392893 RWLYMZQKAJFNOU-OLZOCXBDSA-N 305.382 -0.066 30 20 DBED Cc1cc(C(=O)N[C@@H](C)C[C@@H](C)NCC(=O)NCC#N)nn1C 1133831091 RLOXIGQGCUHUSJ-MNOVXSKESA-N 320.397 -0.145 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)C[C@H](C)NCc1cnnn1C 1134130048 BIZLWEFJMSJMDK-RYUDHWBXSA-N 320.397 -0.673 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)Cc1ccn(C)n1 1134335843 CVOBPYGVXXXEJA-STQMWFEESA-N 319.409 -0.415 30 20 DBED COCC#CCN[C@@H](C)C[C@@H](C)NC(=O)CCS(C)(=O)=O 1134748822 NNKCUDHFKJPBKZ-QWHCGFSZSA-N 318.439 -0.056 30 20 DBED COCC#CCN[C@@H](C)C[C@@H](C)NC(=O)c1nnc(O)nc1O 1134867499 OKEYKSHRXPGXFH-VHSXEESVSA-N 323.353 -0.581 30 20 DBED Cc1nonc1CC(=O)N[C@@H](C)C[C@@H](C)NCC(=O)NCC#N 1135820369 AADVRIPVTFJWCR-ZJUUUORDSA-N 322.369 -0.567 30 20 DBED Cn1ncnc1CN1CCCO[C@@H](CNC(=O)C#CC2CC2)C1 1149693816 CLTKWAUYZWYVKU-AWEZNQCLSA-N 317.393 -0.064 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H](C)N(CC)Cc1cncn1C 1152883487 ZIOOFNOEYFELPK-CYBMUJFWSA-N 319.409 -0.114 30 20 DBED C#CCN1CCC(CNC(=O)[C@H]2CN(C)C(=O)N2)(COC)CC1 1162392845 OQCKXAJMYOYQNJ-CYBMUJFWSA-N 322.409 -0.512 30 20 DBED C#CCNC(=O)CNCCCNC(=O)Cc1ncccc1OC 1164585499 FBIFNBDDJIZXFN-UHFFFAOYSA-N 318.377 -0.522 30 20 DBED C#CCNC(=O)CNCC1(CCNC(=O)[C@H](C)CC(N)=O)CC1 1166552218 JXOGKFWNSSQSLL-GFCCVEGCSA-N 322.409 -0.877 30 20 DBED C=CCNC(=O)CNCCCNC(=O)CCc1ncccn1 1168855470 FUCFGSCYCKAQGN-UHFFFAOYSA-N 305.382 -0.193 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)CS(=O)(=O)CC 1176956450 YRGLCVNLTRFVPU-LLVKDONJSA-N 319.427 -0.792 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@H]1CC12CCOCC2 1177581300 IAABMKKXPQZAIC-CYBMUJFWSA-N 307.394 -0.352 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](NCC(=O)N(C)CC)[C@@H]1C 1178508798 VZXZBJWKVSCELN-STQMWFEESA-N 322.409 -0.817 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)[C@H](OC)C2CC2)[C@H]1C 1178592029 VGFSDQCBPNIOAI-CORIIIEPSA-N 307.394 -0.260 30 20 DBED C=CCCN[C@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)[C@H]1C 1178736127 PMQCQVYNQLFUCX-QWRGUYRKSA-N 306.370 -0.468 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2cc(C)on2)C1 1180838766 LZFJBHDFLMKISF-VXGBXAGGSA-N 304.350 -0.075 30 20 DBED C#CCNC[C@]1(C)CN(C(=O)Cn2ccc(O)nc2=O)C[C@H]1C 1182038006 KTXYELRXPWDTRQ-MLGOLLRUSA-N 318.377 -0.344 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)CNC(N)=O)CC12CCOCC2 1186245869 OVBCMMVSPVAHRL-CYBMUJFWSA-N 322.409 -0.477 30 20 DBED CC#CCN[C@@H]1CCN(C(=O)CCC(=O)N2CCOCC2)C1 1187622595 FJZCNFNQISQZRL-CQSZACIVSA-N 307.394 -0.161 30 20 DBED Cc1cnc(C(=O)N2CC[C@@H](N(C)CC(=O)NCC#N)C2)cn1 1188710054 QFMUMDVFTYZUBJ-GFCCVEGCSA-N 316.365 -0.429 30 20 DBED CC#CCN(C)[C@@H]1CCN(C(=O)CN(C)S(C)(=O)=O)C1 1190471548 FIVWVUIGJPHAHE-GFCCVEGCSA-N 301.412 -0.566 30 20 DBED C#CCCCCC(=O)N[C@@H]1CN(Cc2nnn(C)n2)C[C@H]1O 1192291310 XWMBTRWAQQEZSP-VXGBXAGGSA-N 306.370 -0.935 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)c2[nH]ccc2C)C1 1192571156 MQCSUHUZDLZUKH-YNEHKIRRSA-N 318.377 -0.764 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN([C@H]2CCN(C(C)C)C2=O)C[C@H]1O 1192805173 UAHBVYGVRZRVIP-QLFBSQMISA-N 321.421 -0.184 30 20 DBED C=CCNC(=O)[C@H](C)N(C)[C@@H]1CCN(C(=O)c2cnon2)C1 1192989730 YFIRZJOQSSVGEL-WDEREUQCSA-N 307.354 -0.093 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@H]1CCN(C(=O)c2ncccn2)C1 1193018483 TUESTHCHMJHMCH-OLZOCXBDSA-N 315.377 -0.239 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCCN(CC(=O)NCC#N)CC1 1195791383 BKHKCWNYHPOZEV-ZDUSSCGKSA-N 306.366 -0.801 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2nc(CC)no2)C[C@H]1O 1199318062 KEPNWZINNOGRKE-QJPTWQEYSA-N 324.381 -0.116 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)[C@@H]2COCCO2)CC1 1199394014 CKEZASGDSQQTCK-ZDUSSCGKSA-N 311.382 -0.715 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)[C@]2(C)CNC(=O)C2)CC1 1201751184 JALZXABCLJTKBL-INIZCTEOSA-N 322.409 -0.605 30 20 DBED C#CCNC[C@@H]1CN(C(=O)[C@@H]2COCCN2C(C)=O)CCCO1 1202087921 OXFWDQITPFZOBT-CABCVRRESA-N 323.393 -0.926 30 20 DBED CC#CCNC[C@H]1CN(C(=O)c2cn(C)c(=O)n2C)CCCO1 1202165968 SVAGCKWIMJAUJD-ZDUSSCGKSA-N 320.393 -0.432 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)[C@@]23COC[C@@H]2C3)[C@H](C)C1 1207000309 ASWXYLOYQOGFRF-IATRGZMQSA-N 305.378 -0.791 30 20 DBED CN1CCC[C@@H]1C(=O)N1CCC[C@@H](NCC(=O)NCC#N)C1 1207689015 VGYBQECVDHLUJQ-CHWSQXEVSA-N 307.398 -0.699 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)[C@@H](C)OCC#C)C1 1208018411 OPVGKIXMLLPHOM-KGLIPLIRSA-N 305.378 -0.645 30 20 DBED COCC#CCN1C[C@@H](NC(=O)COc2cnn(C)c2)[C@H](C)C1 1208427550 CMDGQSLIWZISFV-UKRRQHHQSA-N 320.393 -0.115 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)c2c[nH]nc2C)C1 1208870366 WPAIZBBGDDVMNL-GFCCVEGCSA-N 303.366 -0.338 30 20 DBED C=CCCN[C@@H]1CCCN(C(=O)c2cn(C)c(=O)n(C)c2=O)C1 1209919913 BDIBDMYIKYCQTH-GFCCVEGCSA-N 320.393 -0.146 30 20 DBED C#CCCN[C@H]1CCCN(C(=O)[C@H](CCC(N)=O)NC(C)=O)C1 1210154433 MFLWMPLQZPILFV-KBPBESRZSA-N 322.409 -0.640 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)CN(C)C(C)=O)C[C@H]1C 1214183949 QSXKWCANRRLMPG-MBNYWOFBSA-N 324.425 -0.408 30 20 DBED C=CCOCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cnon1 1218809017 FPTMBERJIFWILA-QWHCGFSZSA-N 308.338 -0.203 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)CC2CCCC2)C1 1219117789 CATNKPVBPXISFM-CFVMTHIKSA-N 321.421 -0.134 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)Cn2cc(C)cn2)C1 1219272232 CMIOSHBULLZGBH-KGLIPLIRSA-N 308.382 -0.445 30 20 DBED C=CCOCCCC(=O)N[C@@H]1CN([C@H](CC)C(N)=O)C[C@@H]1O 1219426876 SIYKEPUQDWYLAG-UPJWGTAASA-N 313.398 -0.606 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(Cc2ncnn2CCF)C[C@@H]1O 1219580849 CBBQRCKUZCBYBZ-OLZOCXBDSA-N 323.372 -0.432 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN([C@H](C)c2nnc(C)o2)C[C@@H]1O 1219611723 GMCJRVGZGQRJLH-RTXFEEFZSA-N 322.365 -0.360 30 20 DBED COC[C@@H](C)C(=O)N1CC[C@H]2CCN(CC(=O)NCC#N)[C@H]2C1 1222423664 SZKYAKZVAXNSHE-MCIONIFRSA-N 322.409 -0.169 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC(CNC(=O)[C@H](O)C(C)C)CC1 1223091252 ZKVHFGNJCQXTIZ-UKRRQHHQSA-N 323.437 -0.031 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CC(=O)NCC 1225795180 DBDHNOSKJBRYCH-CHWSQXEVSA-N 324.425 -0.168 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)c1cnns1 1230860085 BHMZASPDEUSFDU-SNVBAGLBSA-N 307.379 -0.566 30 20 DBED C#CCNC(=O)[C@H](C)N(C)CCCNC(=O)c1cnn(C)c1C 1233988796 SDDYWERZSZGXKE-ZDUSSCGKSA-N 319.409 -0.082 30 20 DBED C#CCNC(=O)COC(=O)c1nnn(Cc2noc(C)n2)c1C 1256117119 SQMHHHGGDJQYDX-UHFFFAOYSA-N 318.293 -0.768 30 20 DBED CN1CCN(CCCCNc2[nH]c(=O)n(C)c(=O)c2C#N)CC1 1262678534 DDUCWZXMVXOBAG-UHFFFAOYSA-N 320.397 -0.615 30 20 DBED C=CC[C@H](NC(=O)[C@@H](NC(=O)C1CC1)[C@@H](C)O)C(=O)OCC 1320131108 BSXGSMYCVBJZLY-USWWRNFRSA-N 312.366 -0.114 30 20 DBED Cn1c(=O)nc(O)c2nc(CCC(=O)NC3(C#N)CCC3)[nH]c21 1320975020 IZMPNIYBXTXGRB-UHFFFAOYSA-N 316.321 -0.143 30 20 DBED N#CCNC(=O)CNC(=O)N1CCC(N2CCCNC2=O)CC1 1323104312 YWVFMJOJESHPTM-UHFFFAOYSA-N 322.369 -0.785 30 20 DBED CSc1ccncc1NC(=O)C(=O)NCC(=O)NCC#N 1323119911 DAKDUYWFKBNZGU-UHFFFAOYSA-N 307.335 -0.502 30 20 DBED CCS(=O)(=O)C[C@@H](C)NC(=O)C(=O)N1CCC(C#N)CC1 1323496629 YNJFHBXBKVTAEJ-SNVBAGLBSA-N 315.395 -0.312 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)NCCNC(=O)c1ccco1 1323551441 CHOYKFXSTZHHLL-SNVBAGLBSA-N 309.322 -0.557 30 20 DBED C#CCN(CC1CC1)C(=O)CN1C(=O)C(=O)N(CC=C)C1=O 1324382820 OUEOCHJIFQLFEZ-UHFFFAOYSA-N 303.318 -0.165 30 20 DBED C=C(CC)CNC(=O)C(=O)NCCCN(C)S(C)(=O)=O 1329112068 GMEGPVAOKSFSOE-UHFFFAOYSA-N 305.400 -0.534 30 20 DBED C=CCN(CC=C)C(=O)C(=O)NCCNC(=O)c1cc[nH]n1 1329803477 YHWRDDJLIHKOIL-UHFFFAOYSA-N 305.338 -0.544 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)N(CCO)Cc2ccccc2)CCO1 1330892808 RKQKUTQDTBCVQI-AWEZNQCLSA-N 317.345 -0.242 30 20 DBED C=CCC1(O)CCN(C(=O)C(=O)N2C[C@@H]3C[C@]3(CO)C2)CC1 1336363706 KUQFKLBWLBQNTD-SWLSCSKDSA-N 308.378 -0.243 30 20 DBED CC#CCn1nnnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1337439477 AKUDKDWKTHQJSA-LBPRGKRZSA-N 324.410 -0.299 30 20 DBED Cn1cc(C(=O)OCCOC2(C#N)CCOCC2)c(O)nc1=O 1344449672 WTMCVPZNSADLSK-UHFFFAOYSA-N 323.305 -0.268 30 20 DBED CNC(=O)[C@H]1CCC[C@H]1NC(=O)C(=O)Nc1ccc(C#N)cn1 1347665960 GEKGFTPRHOWKSD-WDEREUQCSA-N 315.333 -0.077 30 20 DBED C=CCC1(O)CCN(C(=O)C(=O)N2CC[C@@H]3CNC[C@@H]32)CC1 1350092489 KJPZJSJBSRPDJU-OLZOCXBDSA-N 307.394 -0.264 30 20 DBED C[C@H]1CC(=O)NN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1362057406 NSMHWNVEMFQZQR-VIFPVBQESA-N 322.346 -0.511 30 20 DBED CCn1cc([C@@H](C)NC(=O)Cn2cc(C#N)c(O)nc2=O)cn1 1362658776 JTRASRYDPLFTHE-SECBINFHSA-N 316.321 -0.086 30 20 DBED COC(=O)[C@@H](NC(=O)Cn1cnc(C#N)n1)c1ccc(O)cc1 1362846913 PXQRJLIVWJPOOY-ZDUSSCGKSA-N 315.289 -0.114 30 20 DBED CN(C)S(=O)(=O)NCC(=O)Nc1n[nH]c(C2CC2)c1C#N 1363507494 OGPRQXKGFKCYQI-UHFFFAOYSA-N 312.355 -0.507 30 20 DBED C[C@@H]1CCN(C(=O)NCCn2cnc(C#N)n2)CC[S@]1=O 1365586932 PSVPUMWOTGPJBL-LADRHHBVSA-N 310.383 -0.298 30 20 DBED C[C@H](C#N)C(=O)N[C@H](CNC(=O)c1cn(C)c(=O)n1C)C1CC1 1372385868 AIDXWUXEQQTUAL-MWLCHTKSSA-N 319.365 -0.492 30 20 DBED CNC(=O)NCC(=O)NC1CN(Cc2cc(C#N)ccc2F)C1 1373430769 HPRSULVQWFUYQV-UHFFFAOYSA-N 319.340 -0.073 30 20 DBED C[C@@H](C#N)C(=O)NCC1CN(CCN2CCCS2(=O)=O)C1 1373501815 GKIUCLVMJQAZEE-NSHDSACASA-N 314.411 -0.770 30 20 DBED CCn1ccnc1C(=O)N(C)C[C@@H](O)CNC(=O)[C@H](C)C#N 1384223527 XBJJHRWZPDKZET-MNOVXSKESA-N 307.354 -0.388 30 20 DBED COc1c[nH]c(C(=O)N2CC[C@H](NC(=O)[C@H](C)C#N)C2)cc1=O 1386075701 SFYIWLJTMMTBQW-ZJUUUORDSA-N 318.333 -0.126 30 20 DBED C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)NCCN1CCNC1=O 1398898211 YEMPAWGPYGPBDV-JTQLQIEISA-N 304.354 -0.381 30 20 DBED CCN(CCNC(=O)[C@@H]1COCCO1)C(=O)c1cc(C#N)c[nH]1 1408717664 ALKPZUDKLMJMPE-ZDUSSCGKSA-N 320.349 -0.120 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H]1CNC(=O)CN1CCCNC1=O 1416409101 YLQAKMCAHPPENI-NWDGAFQWSA-N 321.381 -0.331 30 20 DBED COc1ccc(C(=O)NC[C@H](O)CNC(=O)[C@@H](C)C#N)cn1 1416782516 ZQKRFLWJGQSXPQ-GXSJLCMTSA-N 306.322 -0.543 30 20 DBED CCn1ccnc1CNC(=O)CCn1cc(C#N)c(O)nc1=O 1417882282 UYMPTKIBEVKFIF-UHFFFAOYSA-N 316.321 -0.257 30 20 DBED CCC(=O)NCC(=O)NC[C@@H](O)CNCc1cccc(C#N)c1 1422261495 BUMLTOBIUNHNJO-AWEZNQCLSA-N 318.377 -0.349 30 20 DBED CNC(=O)NCC(=O)N1C[C@H]2CCN(C(=O)[C@H](C)C#N)C[C@H]21 1428956371 OMDGATAQDQPVPD-GMTAPVOTSA-N 307.354 -0.866 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1cccn2ccnc12 1431574238 VJRWZCQBUIVSKQ-QWRGUYRKSA-N 315.333 -0.299 30 20 DBED C[C@@H](CN(C)c1cncc(-c2nn[nH]n2)n1)NC(=O)[C@@H](C)C#N 1574811267 MTGJHDLMAWGOQP-IUCAKERBSA-N 315.341 -0.243 30 20 DBED C#CCCCC(=O)N[C@@H]1CCN(CCc2cnn[nH]2)C[C@@H]1O 1574866831 LKQBAWHKLVTCEG-KGLIPLIRSA-N 305.382 -0.298 30 20 DBED C#CC[C@@H](NC(=O)[C@@](C)(O)Cn1ccc(C)cc1=O)C(=O)O 1588399366 UKJHRDKPBRHLQJ-ABAIWWIYSA-N 306.318 -0.500 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)SC[C@H](NC(C)=O)C(=O)O 1588844002 MLNPGMAKFFCWSW-CBAPKCEASA-N 317.367 -0.291 30 20 DBED Cn1c(=O)[nH]c(N2CCC(CC#N)CC2)c(-c2nn[nH]n2)c1=O 1592544209 OSOUADSGLRYKBI-UHFFFAOYSA-N 316.325 -0.616 30 20 DBED N#Cc1nc(N2CCN3CCOC[C@@H]3C2)cnc1-c1nn[nH]n1 1592706335 PPGSEQBGHSYRIV-VIFPVBQESA-N 313.325 -0.951 30 20 DBED N#Cc1ncn(CC(=O)NCc2ccnc(-c3nn[nH]n3)c2)n1 1592710088 VNBKYGYSHSKSFE-UHFFFAOYSA-N 310.281 -0.959 30 20 DBED COC(=O)c1cccc(NC(=O)CN(CC#N)CC(=O)O)n1 1606614348 OWMMEFMMVOTAKY-UHFFFAOYSA-N 306.278 -0.283 30 20 DBED CCCc1nnc(SCC(=O)N2CC(O)(CC#N)C2)n1N 1645795936 HDHRRRIDFVWWRG-UHFFFAOYSA-N 310.383 -0.477 30 20 DBED C[C@H](C(=O)N1CC(O)(CC#N)C1)S(=O)(=O)C1CCOCC1 1647170982 KHYDMZWLHZFDHJ-SNVBAGLBSA-N 316.379 -0.544 30 20 DBED CN(CCCNC(=O)c1cccn(C)c1=O)CC(=O)NCC#N 1752098370 HADZQQIPFXTXBC-UHFFFAOYSA-N 319.365 -0.923 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC[C@H](NC(=O)CN(C)C(C)=O)C1 1752382636 XWFSMQJCXVAIKV-YPMHNXCESA-N 310.398 -0.654 30 20 DBED C=CCNC(=O)CN[C@@H](CNC(=O)[C@H]1CCC(=O)N1)C1CC1 1752451773 SDTAJHXUGLLBTM-NEPJUHHUSA-N 308.382 -0.948 30 20 DBED C=CCNC[C@H]1CCN(C(=O)CN2CCCS2(=O)=O)C1 1752939071 WTNCUYQJHLSOJD-GFCCVEGCSA-N 301.412 -0.354 30 20 DBED C#CCNC(=O)[C@H](C)N(CC)CCNC(=O)Cn1nccc1C 1753090148 IGBRUDJASSZYDO-AWEZNQCLSA-N 319.409 -0.232 30 20 DBED C=CCNC(=O)CN1CC(NC(=O)C[C@@H](C)n2cccn2)C1 1753390919 BMZFNKMHAFDKIR-GFCCVEGCSA-N 305.382 -0.063 30 20 DBED CCC(CC)NC(=O)CNC[C@H](O)CNC(=O)C#CC1CC1 1753911099 KVFSMNHFOLXQBZ-AWEZNQCLSA-N 309.410 -0.229 30 20 DBED C#CCNC(=O)CNCC[C@H](C)NC(=O)[C@@H](C)c1cnn(C)c1 1754029247 RCBUXRLYKKJTCJ-STQMWFEESA-N 319.409 -0.243 30 20 DBED COCC#CCNC/C=C/CNC(=O)CC1CS(=O)(=O)C1 1754141355 CVNDIOZPWZDFNS-NSCUHMNNSA-N 314.407 -0.667 30 20 DBED C=CCNC(=O)[C@@H](C)NC[C@@H](C)NC(=O)c1cnn(C)c1OC 1754252680 FXGREMRWARHCKJ-GHMZBOCLSA-N 323.397 -0.173 30 20 DBED Cc1nc(C(=O)N[C@@H](CNCC#N)C2CC2)nn1-c1nc[nH]n1 1754447407 DXCQHKMTSZZPRL-JTQLQIEISA-N 315.341 -0.685 30 20 DBED C=CCNC(=O)CN1CC[C@H]1CNC(=O)CCc1nc[nH]n1 1754479550 YDHFHDLSVZGTIJ-NSHDSACASA-N 306.370 -0.770 30 20 DBED C=CCNC(=O)CN1CC[C@@H]1CNC(=O)Cc1ccn(C)n1 1754484279 YNTWRBFERJZESJ-CYBMUJFWSA-N 305.382 -0.545 30 20 DBED C#CCNC(=O)[C@H](C)N1CC(N(C)C(=O)[C@H](C)OCC#C)C1 1754575045 MQIRALVZFPMNRG-STQMWFEESA-N 305.378 -0.695 30 20 DBED C=C(C)CN1CC(O)(CNC(=O)[C@H]2CCCCN(C)C2=O)C1 1754778410 ZLDHQZLGZDZQIL-CYBMUJFWSA-N 309.410 -0.016 30 20 DBED COCC#CCNCC[C@@H]1CCN(C(=O)c2cnn(C)n2)C1 1754935310 KAYITWNLBUFFGS-CYBMUJFWSA-N 305.382 -0.093 30 20 DBED C#CCCN1CCOC[C@@H]1CNC(=O)CN1CCCCC1=O 1754969067 QHBMFYPYZFMMLQ-AWEZNQCLSA-N 307.394 -0.161 30 20 DBED C#CCNC[C@@H]1CN(C(=O)[C@H]2CCCc3nn[nH]c32)CCO1 1755011154 SFWWYXXGHJGNSU-NEPJUHHUSA-N 303.366 -0.325 30 20 DBED COCC#CCN1CC2(C[C@@H](NC(=O)[C@@H]3COCCO3)CO2)C1 1755059694 UIKXMRBCOGAOJE-KGLIPLIRSA-N 324.377 -0.989 30 20 DBED C#CCNC(=O)CN(C)[C@@H](C)CNC(=O)Cc1ccn(C)n1 1755300356 OMZDGBCBYUTPFK-LBPRGKRZSA-N 305.382 -0.852 30 20 DBED C=CCNC(=O)[C@H](C)N[C@H](C)CN(C)C(=O)c1cnnn1C 1755584800 DQYNOLOFTNZJLU-MNOVXSKESA-N 308.386 -0.444 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H](CO)CNC(=O)C1CC(F)(F)C1 1755626625 JNYMSKFZSOSUQJ-MWLCHTKSSA-N 319.352 -0.211 30 20 DBED C[C@H](CNC(=O)C#CC1CC1)N(C)C(=O)C[C@H]1CCNC1=O 1756024769 UOMIXUINXUQTAE-DGCLKSJQSA-N 305.378 -0.111 30 20 DBED C=CCOCC(=O)NC[C@H](C1CC1)N(C)C(=O)c1nnn(C)n1 1756419186 LDVOIFRIWYMTBO-LLVKDONJSA-N 322.369 -0.621 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H](CO)CNC(=O)c1ccccn1 1756501734 YZFDFYOAPSWZMX-RYUDHWBXSA-N 305.334 -0.673 30 20 DBED CS(=O)(=O)N1CCC(C(=O)N=c2cc[nH]cc2C#N)CC1 1771605947 CFRMGZBPDZGBNM-UHFFFAOYSA-N 308.363 -0.015 30 20 DBED C=CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnnn1C)CCO2 1783916870 SPFSQJWZTNUYDH-OAHLLOKOSA-N 319.365 -0.165 30 20 DBED C[C@@H](S)C(=O)N1CC2(CCCN2C(=O)Cn2cncn2)C1 1843081993 BSEDHFJBTVREQV-SNVBAGLBSA-N 309.395 -0.200 30 20 DBED CC(=O)NCC(=O)N1CCCC12CN(C(=O)C1(C#N)CC1)C2 1845990375 UXPBBAIVZKBZLN-UHFFFAOYSA-N 304.350 -0.370 30 20 DBED Cn1cc(C#N)c(=O)n(CC(=O)N[C@@](C)(C#N)C2CC2)c1=O 11263524 CKADCWHKWIURKE-AWEZNQCLSA-N 301.306 -0.773 30 20 DBED COc1ccc(CNc2c(C#N)c(=O)n(C)c(=O)n2C)cn1 54446659 YQOFQFZJLBMVBX-UHFFFAOYSA-N 301.306 -0.029 30 20 DBED N#Cc1cc(S(=O)(=O)N2CCN(CCO)CC2)ccc1F 71239950 PAPAWJLNHHQBMP-UHFFFAOYSA-N 313.354 -0.004 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N1CCc2nn(C)c(=O)cc2C1 78623478 JEAKCQDQSXXVKU-SNVBAGLBSA-N 319.365 -0.461 30 20 DBED CNC(=O)[C@@H]1CN(CC(=O)Nc2cccc(C#N)c2)CCO1 184077686 UKBUQOCAYOEMKZ-ZDUSSCGKSA-N 302.334 -0.056 30 20 DBED CN(C)S(=O)(=O)CCNS(=O)(=O)c1cccnc1C#N 231009154 SAZMMNYBIVCRPL-UHFFFAOYSA-N 318.380 -0.877 30 20 DBED C/N=C(/NCCS(C)(=O)=O)N1CCC(C(=O)OC)CC1 262575190 OAOWJVBHYFRGHH-UHFFFAOYSA-N 305.400 -0.509 30 20 DBED C#Cc1cccc(NC(=O)C(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)c1 268419495 FGVOTVJIQMSPMW-STQMWFEESA-N 315.329 -0.245 30 20 DBED CO/N=C/c1ccc(C(=O)NCCN2CCNC(=O)C2)cc1 272672439 KVTJRPIAUHYPCU-VCHYOVAHSA-N 304.350 -0.172 30 20 DBED C=C[C@@](C)(O)CC(=O)Nc1cnn(CC(=O)NCCOC)c1 279492556 RUVPNTFFHPDJLT-CQSZACIVSA-N 310.354 -0.089 30 20 DBED N#Cc1ncn(CCNC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)n1 285025024 IFSOTOFRDIFWLS-QSFUFRPTSA-N 301.306 -0.211 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)Nc2nncn2CC)C1=O 286021818 ZPQAYSJQQPKRKP-UHFFFAOYSA-N 306.282 -0.787 30 20 DBED N#Cc1ccc(S(=O)(=O)NCCCN2C(=O)CNC2=O)o1 286475345 AFZJORLJHJIJJK-UHFFFAOYSA-N 312.307 -0.629 30 20 DBED COCCN(CCCNC(=O)/C=N/OC)C(=O)/C=N/OC 290527375 QKFBIZFQFKEAKV-AOEKMSOUSA-N 302.331 -0.768 30 20 DBED C[C@H]1[C@@H](NS(=O)(=O)c2cccnc2C#N)CCS1(=O)=O 292914351 GJGXPWHZYBDUKG-IUCAKERBSA-N 315.376 -0.193 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCCn3nccc32)C1=O 299574127 BJBIXTXRNZHVBD-UHFFFAOYSA-N 317.305 -0.403 30 20 DBED C/N=C(/O)NCC(=O)N1CCN([C@H](C)c2nc(C)no2)CC1 330524720 JMINQUAMTBGVJS-SECBINFHSA-N 310.358 -0.283 30 20 DBED CCS(=O)(=O)C1CN(S(=O)(=O)N(C)C[C@H](C)C#N)C1 332034528 KJFOYJWHTLWGQY-SECBINFHSA-N 309.413 -0.558 30 20 DBED CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)N(C)[C@H](C)CC#N 337798910 FRMKOEWFGVJTLH-GHMZBOCLSA-N 323.440 -0.026 30 20 DBED CCOC(=O)CN(CC(N)=O)C(=O)CNc1ccc(C#N)cc1 339281787 KWKFZPQSCNCDDN-UHFFFAOYSA-N 318.333 -0.153 30 20 DBED C=CC[C@@H](CO)CNS(=O)(=O)c1cc(C(N)=O)n(C)c1 341191008 MXTNCBDAZVPPHO-SECBINFHSA-N 301.368 -0.413 30 20 DBED C[C@@H](C(=O)Nc1ccccc1C#N)N1CCN(CC(N)=O)CC1 341214120 BFVRDSSYKSRJEJ-LBPRGKRZSA-N 315.377 -0.012 30 20 DBED C=CCCOCCNC(=O)C(=O)NCCN1CCOC[C@@H]1C 342015314 FJPNIHVVEYCYRP-ZDUSSCGKSA-N 313.398 -0.468 30 20 DBED CCn1cc(C#N)c(=O)n(C[C@H](O)COC2CCOCC2)c1=O 446797763 ZLZVHYKGDPEIFF-LBPRGKRZSA-N 323.349 -0.542 30 20 DBED C[C@H]1CN(C(=O)CNc2ccc(C#N)cn2)C[C@@H](C)N1CCO 456216588 VQOLFJYUFWEHBQ-BETUJISGSA-N 317.393 0.279 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2cn(C(C)C)cn2)CC1 491048189 XJTVNIYPVIYXFL-UHFFFAOYSA-N 317.393 -0.029 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2csc(O)n2)CC1 491785423 UWVXDTSZBJIQSH-UHFFFAOYSA-N 308.363 -0.644 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(CC[C@@H]2CCNC2=O)c1=O 514677651 JXPMEARLRKGRHV-NSHDSACASA-N 320.349 -0.930 30 20 DBED CC(C)(O)CNC(=O)CNS(=O)(=O)c1cccc(C#N)c1 514821795 JWJBHLCWQURJAN-UHFFFAOYSA-N 311.363 -0.276 30 20 DBED C[C@@H]1CN(c2nccnc2C#N)CCN1c1nccn2nnnc12 531543997 ISGDQWHYMAFCJW-SNVBAGLBSA-N 322.336 -0.104 30 20 DBED N#C[C@H]1CN(S(=O)(=O)N2CC[C@H](N3CCCC3)C2)CCO1 548832530 STEFIPAGHZTUEB-STQMWFEESA-N 314.411 -0.374 30 20 DBED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N(C)CCNC(C)=O 566796329 YQZPVOMLPDVTMN-CHWSQXEVSA-N 311.382 -0.322 30 20 DBED Cc1cc(NC(=O)C(=O)N(C)[C@@H]2CCN(C)C2=O)ncc1C#N 567247508 INRVPRPEWONLAX-LLVKDONJSA-N 315.333 -0.111 30 20 DBED C[C@@H]1C[C@@H](CO)CN(S(=O)(=O)N2CCO[C@@H](C#N)C2)C1 570060492 KSIGRNHRPYNLIY-UTUOFQBUSA-N 303.384 -0.594 30 20 DBED N#CCCN(CCC#N)C(=O)CN1C(=O)[C@@H]2CSCN2C1=O 584423411 HPDZYWBJCOOKCO-JTQLQIEISA-N 321.362 -0.021 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1C[C@@H]2[C@@H](CO)[C@@H]2C1 589921443 PIODYCVHQPFOFG-GDNZZTSVSA-N 303.384 -0.737 30 20 DBED CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC(C#N)C2)cc1 590088732 BTWIAVGXRIPTPI-UHFFFAOYSA-N 315.376 -0.261 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)CNC(=O)c2cccc(O)c2)C1 592849378 JLSCMLYKSFKERT-OAHLLOKOSA-N 303.318 -0.001 30 20 DBED COCCN(CCC#N)S(=O)(=O)N(C)C[C@@H]1COCCO1 594841600 CBJOKTFFCGNFSU-GFCCVEGCSA-N 321.399 -0.560 30 20 DBED CCCCN(CCO)C(=O)C(=O)N1CCN(CCC#N)CC1 601416107 LUJACYSZMSRDOT-UHFFFAOYSA-N 310.398 -0.335 30 20 DBED N#CCCN1CCN(C(=O)C(=O)N2CC[C@@H]3NCC[C@@H]3C2)CC1 601594937 PLZCFRQLTVDZLV-KGLIPLIRSA-N 319.409 -0.745 30 20 DBED COCCNC(=O)CN1CCN(Cc2cccc(C#N)n2)CC1 602436913 OPRHHOGDNMHHSG-UHFFFAOYSA-N 317.393 -0.167 30 20 DBED COC[C@H](CS(=O)(=O)NCC1CCN(CC#N)CC1)OC 603291871 GLIGYIUTTOTBLY-CYBMUJFWSA-N 319.427 -0.197 30 20 DBED C[C@H](CC#N)NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1 604510566 IGHFLEZWVJTYOS-MRVPVSSYSA-N 303.365 -0.086 30 20 DBED C=CC[C@H](CO)CNC(=O)c1cc(S(N)(=O)=O)ccc1O 613252447 GHHHIDZCFDBCDM-VIFPVBQESA-N 314.363 -0.046 30 20 DBED N#CCNC(=O)COC(=O)CNS(=O)(=O)c1cccs1 731240797 RUWWLGFNEKMQQU-UHFFFAOYSA-N 317.348 -0.791 30 20 DBED CN1CC[C@@H](NC(=O)NCCNc2ccc(C#N)cn2)C1=O 738461584 VTBWOPASNCWBEQ-LLVKDONJSA-N 302.338 -0.105 30 20 DBED COCC#CCOC(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1 762827565 IGVIZERWVNIRLG-JTQLQIEISA-N 315.351 -0.720 30 20 DBED Cn1cc(C=NNCCOCC(F)(F)F)c(=O)n(C)c1=O 765593365 KDMGAEYYBWJBSH-UHFFFAOYSA-N 308.260 -0.414 30 20 DBED CN1CC[C@H](C(=O)NS(=O)(=O)CC2(C#N)CCC2)CC1=O 771076799 IFRPGKRXQUHUJH-JTQLQIEISA-N 313.379 -0.005 30 20 DBED N#CCNC(=O)CN1CCC(Oc2ccnc(C(N)=O)c2)CC1 772331144 CYROOSBXTQLVMK-UHFFFAOYSA-N 317.349 -0.337 30 20 DBED C#CCN1CCN(C(=O)CN2CC[C@@H](n3cncn3)C2)CC1 776878249 WHCSWFSFNOFJQE-CQSZACIVSA-N 302.382 -0.698 30 20 DBED N#Cc1ncn(CCNC(=O)N2CCC[C@H](C3OCCO3)C2)n1 807511725 CJUBFYCZFDEURO-NSHDSACASA-N 320.353 -0.056 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CC[C@@](C)(C(=O)NC)C1)[C@@H]1CCCO1 809311549 XUTQMICBIXAOSD-MQIPJXDCSA-N 321.377 -0.732 30 20 DBED C#Cc1cncc(C(=O)NCCCn2c(=O)ccn(C)c2=O)c1 819942073 DINSVALHRVNWMC-UHFFFAOYSA-N 312.329 -0.257 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)CCC(C)(C)O)CC1 831568342 GQMMAXBLNNHQRK-UHFFFAOYSA-N 317.411 -0.851 30 20 DBED C#CCn1cc(CNC(=O)[C@@H](NS(C)(=O)=O)C(C)C)cn1 834606371 JQAJOUXMJSLWRG-LBPRGKRZSA-N 312.395 -0.294 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)OC2CCC2)CC1 872514812 AGTTVIQESPKMEG-UHFFFAOYSA-N 301.368 -0.239 30 20 DBED CO[C@H](CN)CC(=O)N1CCN(c2ccc(C#N)nc2)CC1 877297109 ODAXLJABCIQREP-AWEZNQCLSA-N 303.366 -0.034 30 20 DBED C=CCN(C(=O)[C@@H]1CSCC(=O)N1)[C@@H]1CCS(=O)(=O)C1 930380304 UEXCRJIRVBXFMG-ZJUUUORDSA-N 318.420 -0.580 30 20 DBED C#CCn1ccc(CN(CC)C(=O)C[C@H]2CC(=O)NC2=O)n1 935710894 YJRRUCLYVKXZLP-LLVKDONJSA-N 302.334 -0.082 30 20 DBED CO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1NC(=O)Cc1cc[nH]n1 941410127 XVJDOOHWZUKIES-MVWJERBFSA-N 305.338 -0.546 30 20 DBED C=CCn1cc(C(=O)N2CC[C@@H](NC(=O)c3cnon3)C2)nn1 942258815 TTYYEXCLMSPXEE-SECBINFHSA-N 317.309 -0.508 30 20 DBED C#Cc1ccc(C(=O)N2CCCC[C@H](NC(=O)C(N)=O)C2)cn1 943491137 OBBLFZBZADDMSU-ZDUSSCGKSA-N 314.345 -0.341 30 20 DBED C=CC(C)(C)C(=O)N1CCO[C@H](CNC(=O)c2cnn[nH]2)C1 944661550 LOYNIGDBYPGFOI-SNVBAGLBSA-N 307.354 -0.026 30 20 DBED C[C@H](C#N)C(=O)N1CCC(NC(=O)[C@@H]2CCN(C)C2=O)CC1 948109356 DNOWSQZNHLEALV-PWSUYJOCSA-N 306.366 -0.268 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC2(CCN([C@@H](C)C(N)=O)CC2)C1 949053635 CNJIGLPONGCKJO-RYUDHWBXSA-N 308.382 -0.287 30 20 DBED N#CCN1CCC2(CC1)CN(C(=O)Cn1cncn1)CCO2 949241740 OYGDKQUEBVCGDM-UHFFFAOYSA-N 304.354 -0.505 30 20 DBED NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H]1CCCN1C(=O)C#CC1CC1 956003842 CHSSBVUPYGMJES-XQQFMLRXSA-N 303.362 -0.372 30 20 DBED C#Cc1ccc(C(=O)N2CCN(CCS(C)(=O)=O)CC2)cn1 957381666 WFINNFXLHKFVEC-UHFFFAOYSA-N 321.402 -0.135 30 20 DBED C=C(C)CN1C[C@@H](O)[C@@H](CNC(=O)c2cnc(O)n(C)c2=O)C1 958317408 WZXNMQMIFPUPQP-CMPLNLGQSA-N 322.365 -0.916 30 20 DBED C#CCCN1C[C@@H](O)[C@@H](CNC(=O)c2cc(C(N)=O)co2)C1 958389541 IGCXQOBIOHTPBE-NWDGAFQWSA-N 305.334 -0.576 30 20 DBED C#CCCN1C[C@@H](O)[C@H](CNC(=O)c2c(C)nn(C)c2OC)C1 958450145 YPZLYUBDHZRYGM-CHWSQXEVSA-N 320.393 -0.217 30 20 DBED C#CCCN1C[C@H](CNC(=O)C2CCN(CC#C)CC2)[C@@H](O)C1 958723909 KJECISJKJPXNJG-IRXDYDNUSA-N 317.433 -0.236 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C2(C)CCOCC2)C1 958892919 BQEIJQOSZBUHMC-AGIUHOORSA-N 323.393 -0.007 30 20 DBED N#Cc1c[nH]c(C(=O)N2C[C@H](O)[C@H](NC(=O)C3CCC3)C2)c1 961101818 WXIXZZWFSSXDQP-OLZOCXBDSA-N 302.334 -0.012 30 20 DBED O=C1CC[C@H](C(=O)N2C[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]3C2)N1 961184098 CZCFOOIBTQSWJO-HZSPNIEDSA-N 315.373 -0.405 30 20 DBED C#CCN1C[C@@H]2C(NC(=O)c3nc(O)nc(O)c3OC)[C@H]2C1 962279303 IPBRVWAQTMSETO-YUMQZZPRSA-N 304.306 -0.810 30 20 DBED C=C(Cl)CN1C[C@H]2C(NC(=O)CN3C(=O)CCC3=O)[C@@H]2C1 962497579 SXZALWDVZDKVHB-NXEZZACHSA-N 311.769 -0.066 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(C1)CN(C(=O)[C@@]13COC[C@@H]1C3)CCO2 965392614 AYZHCYHUDVFEGO-MKBNYLNASA-N 319.361 -0.378 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@H](NC(=O)[C@@]2(C)CNC(=O)C2)C1 968992309 NDEUPNWNYUJBBG-OHUAYANFSA-N 323.393 -0.587 30 20 DBED Cc1cnoc1C(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 970282325 NBYWWJHEENTYGK-NEPJUHHUSA-N 303.318 -0.302 30 20 DBED C#CCN1C[C@H]2CC[C@H]1CN2C(=O)CN1C(=O)NC(C)(C)C1=O 972079924 INEISGBENUMZJW-NWDGAFQWSA-N 318.377 -0.375 30 20 DBED C=CCN1C[C@H]2CC[C@H]1CN2C(=O)CC[C@@H]1NC(=O)NC1=O 972090893 CMHVCNLZOIRMKT-TUAOUCFPSA-N 306.366 -0.164 30 20 DBED C#CCN1C[C@H]2CC[C@H]1CN2C(=O)[C@@H]1COCCN1C(C)=O 972132309 ZNOSUFWNJUZEAO-ZNMIVQPWSA-N 305.378 -0.458 30 20 DBED C=CCCN1CCO[C@]2(CCN(C(=O)[C@H]3CN(C)C(=O)N3)C2)C1 972503575 GXQSEBJHUUODKL-CZUORRHYSA-N 322.409 -0.111 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)C[C@@H]3COC(=O)C3)[C@H]2C1 976372218 XMXOHLPZSLHIBE-MOUCOTEISA-N 305.334 -0.328 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]1CN(C)C(=O)C1CC(=O)NC(=O)C1 978015496 OMOVRDRLHFRONM-ONGXEEELSA-N 320.349 -0.742 30 20 DBED C#CCN1C[C@H]2C[C@H](NC(=O)CN3CCOCC3=O)CC[C@H]2C1 979798877 VZDMPRQCBJWFSV-RRFJBIMHSA-N 319.405 -0.305 30 20 DBED C#CCN1C[C@H]2C[C@H](NC(=O)C3CC(=O)NC(=O)C3)CC[C@H]2C1 980183287 KKXBWXQRJQYWRN-IACUBPJLSA-N 317.389 -0.111 30 20 DBED C=CCN1CCCC2(C1)CN(C(=O)CN1CCNC(=O)C1)C2 981933106 KIZAKFPGWKLEQY-UHFFFAOYSA-N 306.410 -0.471 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2CCCCCN(C(=O)C(N)=O)C2)[nH]1 987141358 USVBGPSBBLBMOZ-NSHDSACASA-N 317.349 -0.127 30 20 DBED N#Cc1cc(C(=O)N2CC(NC(=O)CC3OCCCO3)C2)c[nH]1 991008794 UJCOJKDQEDWPER-UHFFFAOYSA-N 318.333 -0.020 30 20 DBED C#Cc1ccc(C(=O)N2CC(NC(=O)c3c[nH]c(=O)cn3)C2)nc1 998567583 JNKVLIBCEOVTKP-UHFFFAOYSA-N 323.312 -0.599 30 20 DBED C[C@@H](C#N)C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cc(=O)n(C)o1 1002265348 IWLUFGOAQXZFHP-ZDCRXTMVSA-N 318.333 0.000 30 20 DBED C#Cc1ccc(C(=O)N(C)C[C@@H]2CCCN2C(=O)C(N)=O)nc1 1002914881 PZSMBNPZRPSKGP-LBPRGKRZSA-N 314.345 -0.389 30 20 DBED C#Cc1ccc(C(=O)NCC2CN(C(=O)Cn3cnnn3)C2)cc1 1003531312 VVEICNGUFAASEP-UHFFFAOYSA-N 324.344 -0.457 30 20 DBED C=C1CC(C)(C(=O)N2CC(CNC(=O)[C@H]3CN(C)C(=O)N3)C2)C1 1003572559 GRPOYDXRLYTOPG-GFCCVEGCSA-N 320.393 -0.059 30 20 DBED NC(=O)C(=O)N[C@@H]1CC[C@H]2CN(C(=O)C#CC3CC3)C[C@H]2C1 1009879066 CTVINZAREUTGFK-YNEHKIRRSA-N 303.362 -0.372 30 20 DBED C#Cc1ccc(C(=O)N2C[C@@H]3C(NC(=O)c4cnon4)[C@H]3C2)nc1 1013633976 CFBNSONKZHIKNV-QWRGUYRKSA-N 323.312 -0.054 30 20 DBED C=CCN[C@H]1CCN(C(=O)Cn2nc3n(c2=O)CCCC3)C1 1019618438 GZVUHDOYXKCCRJ-LBPRGKRZSA-N 305.382 -0.242 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)c3cnc(C)[nH]3)C2)C1=O 1030163611 QBMWBEFHEDQIEU-CYBMUJFWSA-N 303.366 -0.081 30 20 DBED C=C(Cl)CN1CC(NC(=O)Cn2ncn3nccc3c2=O)C1 1031039065 WIYUMGBXWPFKQD-UHFFFAOYSA-N 322.756 -0.556 30 20 DBED C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)CN1CCN(C)C(=O)C1 1032483333 ZZXKFWMQGHXCGP-KBPBESRZSA-N 306.410 -0.378 30 20 DBED C=CCn1cccc1C(=O)NC[C@@H]1CN([C@H](C)C(N)=O)CCO1 1035401927 OPRFRPXZQURTAE-CHWSQXEVSA-N 320.393 -0.022 30 20 DBED C=C(Cl)CN1CCO[C@H](CNC(=O)[C@@H]2CCNC2=O)C1 1035472523 DKQXXHBKMVGYPB-GHMZBOCLSA-N 301.774 -0.308 30 20 DBED C=C(Cl)CN1C[C@H]2C[C@H]1[C@@H]2NC(=O)C1CS(=O)(=O)C1 1037413768 DVVXVRSIMGSBEU-DVVUODLYSA-N 304.799 -0.028 30 20 DBED C#CCCCC(=O)NC[C@@]1(O)CCN(C(=O)c2ncn(C)n2)C1 1039573515 HWQMPTUTULNMHC-HNNXBMFYSA-N 319.365 -0.688 30 20 DBED CCCN(C)CC(=O)NC[C@]1(O)CCN(C(=O)[C@@H](C)C#N)C1 1040448227 XUKMYUFRUHIZHT-SWLSCSKDSA-N 310.398 -0.433 30 20 DBED C#CCN1CCC2(CC1)CCN(C(=O)C1CS(=O)(=O)C1)C2 1040715123 RFHONALOCPGREP-UHFFFAOYSA-N 310.419 -0.021 30 20 DBED C=CCC1(C(=O)N2CC[C@@](O)(CNC(=O)C(N)=O)C2)CCCC1 1040756174 UCQUESVRYKWVCU-MRXNPFEDSA-N 323.393 -0.312 30 20 DBED Cc1ncncc1C(=O)N1CC[C@](O)(CNC(=O)[C@@H](C)C#N)C1 1040764633 XBXAFTFTMSGKJA-BONVTDFDSA-N 317.349 -0.362 30 20 DBED C#CCN1CC[C@]2(CCN(C(=O)c3ccc(=O)n(C)n3)C2)C1 1041819101 YRTLORFBZHRWGJ-INIZCTEOSA-N 300.362 -0.049 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)Cc2n[nH]c(C)n2)C1 1041956348 HERIDZNWNSPRLF-UHFFFAOYSA-N 307.354 -0.689 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)[C@H]2CCC(=O)N2C)C1 1041972580 CQGYXNVTBLAOBS-LLVKDONJSA-N 309.366 -0.737 30 20 DBED C#CCN1CC[C@H]2CCN(C(=O)CN3CCC(=O)NC3=O)C[C@H]21 1042304832 SCMXWXUWTWMVRJ-QWHCGFSZSA-N 318.377 -0.516 30 20 DBED C#CCN1CC[C@@H]2CCN(C(=O)c3ccc(=O)n(C)n3)C[C@@H]21 1042340608 HEBXMSMAALHJSL-OCCSQVGLSA-N 300.362 -0.050 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)CCCC(N)=O)C1 1042807087 NXUFRLVLNVQSBN-UHFFFAOYSA-N 309.366 -0.865 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(O)CN(C(=O)[C@@H](F)CC)C1 1042815006 VGTAHBJVPMFSKQ-GWCFXTLKSA-N 302.346 -0.249 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)C[C@H]2CCCO2)C1 1043036806 RLHFIOSKELBDIC-CHWSQXEVSA-N 324.377 -0.717 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)COCCC=C)C1 1043042829 XSZYPJAGJXWEIY-ZDUSSCGKSA-N 324.377 -0.693 30 20 DBED N#Cc1cccnc1N1C[C@H](O)[C@H](NC(=O)c2cnon2)C1 1044123005 RICINYVCYZLQKT-MNOVXSKESA-N 300.278 -0.684 30 20 DBED CC#CCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1044993724 AEDSQWYDFNAINU-VXGBXAGGSA-N 323.349 -0.465 30 20 DBED Cn1cc(C(=O)N2CCN([C@H]3CCN(CC#N)C3)CC2)nn1 1046029546 WNGPRZPGCGVLCZ-LBPRGKRZSA-N 303.370 -0.829 30 20 DBED C#CCCN1CC[C@@H](N2CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)C1 1046078723 OTWFXYHGBLZCQM-CABCVRRESA-N 318.421 -0.493 30 20 DBED N#CCN1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCNC2=O)C1 1046961722 ACNNAPOQUODOTL-VHSXEESVSA-N 300.309 -0.281 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCn3cncc3C2)C1 1047432064 YMAPOUOEOXRVNZ-KBMXLJTQSA-N 316.405 -0.028 30 20 DBED CN(C)C(=O)CN1C[C@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2C1 1048750346 WFQQDZAPVWEBDH-BETUJISGSA-N 315.377 -0.022 30 20 DBED C=C(C)CN1C[C@H]2CN(C(=O)Cn3cnc(C(N)=O)n3)C[C@H]2C1 1048828179 RFLDXZWWAZKMAS-TXEJJXNPSA-N 318.381 -0.657 30 20 DBED C=CCOCC(=O)N[C@@H](C)[C@@H]1CCN(C(=O)CNC(C)=O)C1 1049828558 MIXCQWSNPUHQME-WCQYABFASA-N 311.382 -0.322 30 20 DBED C=C(Cl)CN1CCOC[C@H]1CNC(=O)[C@H]1CNC(=O)N1 1051096553 RMRPRBHQANFXSJ-NXEZZACHSA-N 302.762 -0.763 30 20 DBED N#Cc1ccc(N2CC[C@@H](NC(=O)c3cnon3)[C@H](O)C2)nn1 1051717778 JNAZCWKIRJYWIZ-MWLCHTKSSA-N 315.293 -0.899 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2COC3(C2)CN(CC(N)=O)C3)cc1 1053889390 INRVOZGOVOFIDC-AWEZNQCLSA-N 313.357 -0.274 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)[C@@H]3CCCN3C(C)=O)CO2)C1 1053986958 YPRGHEXRBRAQDE-KGLIPLIRSA-N 305.378 -0.410 30 20 DBED C[C@@H](CC(=O)N1C[C@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2C1)NC(N)=O 1055341326 XUVWYSOIKIGTFA-FIQHERPVSA-N 321.381 -0.490 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@](CO)(NC(=O)c2cnnn2C)C1 1055918925 QSDZQKPQXWCHTL-YGRLFVJLSA-N 320.353 -0.942 30 20 DBED Cn1cc(CC(=O)NC2[C@H]3CN(c4cncc(C#N)n4)C[C@H]23)cn1 1056147823 RFCWHQNNWBWFBF-STQMWFEESA-N 323.360 -0.125 30 20 DBED CC(=O)NCC(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@@H](C)C#N 1056193046 FGMCWPRBBZFVPN-UHTWSYAYSA-N 306.366 -0.126 30 20 DBED CCO[C@H]1C[C@@H]1C(=O)N(CCO)CCNC(=O)C#CC1CC1 1057089001 LLPCJWGMSYBJER-KBPBESRZSA-N 308.378 -0.238 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)[C@H]1CCCCO1 1057193606 LCPBBQWZMJVRKD-CYBMUJFWSA-N 314.382 -0.305 30 20 DBED C#CCOCCC(=O)NCCN(CCO)C(=O)c1cc[nH]c1C 1057302422 ICPSMIYMQDGKNZ-UHFFFAOYSA-N 321.377 -0.086 30 20 DBED C=C[C@](C)(O)CC(=O)N(CCO)CCNC(=O)c1cnco1 1057451479 LXNXXSGTKAWICG-AWEZNQCLSA-N 311.338 -0.448 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)[C@@H]1CCC(=O)N1C 1057525395 QXUMNDBMVYTDQU-ZDUSSCGKSA-N 323.393 -0.796 30 20 DBED CC(C)(C)C#CC(=O)N(CCO)CCNC(=O)[C@@H]1CCNC1=O 1057539956 AUUFPHSYGCQLNS-GFCCVEGCSA-N 323.393 -0.891 30 20 DBED C=CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)[C@@H](C)OCC 1057922110 XHYRWNWXOTYGKK-OLZOCXBDSA-N 316.398 -0.060 30 20 DBED N#Cc1cccnc1N1CCC[C@H](NC(=O)Cn2cnnn2)C1 1058118741 OSHLYJDBFKZTFI-LBPRGKRZSA-N 312.337 -0.275 30 20 DBED N#Cc1cnccc1N1CCC[C@H](NC(=O)Cn2ncnn2)C1 1058197075 NSZDTRAWLGZULM-LBPRGKRZSA-N 312.337 -0.275 30 20 DBED COc1nccc(C(=O)N(CCO)CCNC(=O)[C@H](C)C#N)n1 1058212334 KOQPULCYNLPWAI-SNVBAGLBSA-N 321.337 -0.804 30 20 DBED CN1CCOC[C@H]1C(=O)N[C@H]1CCN(c2ncccc2C#N)C1 1058319001 KUEHTFYBHDLJHT-KBPBESRZSA-N 315.377 -0.021 30 20 DBED C=C(C)C[C@@H](C)C(=O)N(CCO)CCNC(=O)c1cnnn1C 1058463898 JSEUCJVQWSITBR-GFCCVEGCSA-N 323.397 -0.032 30 20 DBED CN(C[C@@H]1CCCN(C(=O)CC(N)=O)C1)c1nccnc1C#N 1058681946 OZTBZUXHJCLQRW-NSHDSACASA-N 316.365 -0.102 30 20 DBED Cc1cc(=N[C@H]2C[C@H](NC(=O)Cn3cnnn3)C2)c(C#N)c[nH]1 1059150239 BUQPVWFDQXZOAJ-HAQNSBGRSA-N 312.337 -0.571 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@@H](CCNC(=O)C(N)=O)C2)[nH]1 1059488719 BAZNTINWMWUECU-SECBINFHSA-N 303.322 -0.660 30 20 DBED CS(=O)(=O)CC(=O)N1CC[C@@H](CNc2cnc(C#N)cn2)C1 1060810092 ROVFCQQHONTJJE-JTQLQIEISA-N 323.378 -0.347 30 20 DBED N#Cc1ccc(N2CCO[C@H](CNC(=O)c3cnn[nH]3)C2)cn1 1063673111 KISPHLNGIUOWIJ-GFCCVEGCSA-N 313.321 -0.293 30 20 DBED N#Cc1cnc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)Cn2cccn2)cn1 1064216284 HGUHRCCGFZWDBV-GMXABZIVSA-N 309.333 -0.062 30 20 DBED Cc1nnccc1C(=O)N1CCO[C@H](CNC(=O)[C@@H](C)C#N)C1 1065388802 ATTUZJMXLGZTLF-CMPLNLGQSA-N 317.349 -0.098 30 20 DBED C=CCCCC(=O)NC[C@H]1CN(C(=O)[C@H]2CNC(=O)N2)CCO1 1065540767 VTIKARPCNFGVQS-NWDGAFQWSA-N 324.381 -0.632 30 20 DBED C=C(C)C[C@H](C)C(=O)N1CC2(CC[C@H](CNC(=O)C(N)=O)O2)C1 1068618181 NICXLBNLTLMEHF-NWDGAFQWSA-N 323.393 -0.050 30 20 DBED C[C@@H]1[C@H](C(=O)N[C@@H]2CN(CC#N)C[C@@H]2n2ccnn2)CCN1C 1069930490 MFPUEXQHNAXVDC-SYQHCUMBSA-N 317.397 -0.517 30 20 DBED C=CCCC(=O)NC1(CNC(=O)Cn2ncnn2)CCOCC1 1070032122 IQYYYWKFYYDWMZ-UHFFFAOYSA-N 322.369 -0.579 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)[C@H]2CCNC2=O)CCOCC1 1070185560 BGSQDTNETIUAFF-MNOVXSKESA-N 322.365 -0.936 30 20 DBED Cc1nnc(CC(=O)N2C[C@H]3C[C@@H]4CN(CC#N)C[C@]3(C2)O4)o1 1070796403 FJTZKENJEHXPLB-LALPHHSUSA-N 317.349 -0.254 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)c2ncccc2O)CC1 1070958496 CXFSMBHUIUAYPT-UHFFFAOYSA-N 316.361 -0.316 30 20 DBED N#CCN1CCN([C@@H]2CCCN(C(=O)c3nc[nH]n3)C2)C(=O)C1 1071275822 QEJIMDAPWJTWBS-LLVKDONJSA-N 317.353 -0.923 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)CNC(C)=O)C1 1071365435 VTINEXKWGIMEBX-MCIONIFRSA-N 323.393 -0.179 30 20 DBED C=CCOCC(=O)N1C[C@@H](C)[C@@H](NC(=O)CC(=O)NCC)C1 1071808691 KLLFKCYVMYOXJZ-NEPJUHHUSA-N 311.382 -0.322 30 20 DBED COC(=O)NCC(=O)N[C@@H]1CN(C(=O)C#CC(C)C)C[C@H]1C 1072036686 ZBDNPMHVCKTWIP-VXGBXAGGSA-N 309.366 -0.035 30 20 DBED C=C(C)CN1C[C@H](NC(=O)c2cn(CC(N)=O)nn2)CC[C@H]1C 1072098934 INIPMGYVADVIJJ-VXGBXAGGSA-N 320.397 -0.078 30 20 DBED C=CCN1CCO[C@@H]2CCN(C(=O)CN3CCOCC3)C[C@H]21 1074219865 XDCWNMJTWAJQGD-HUUCEWRRSA-N 309.410 -0.194 30 20 DBED CC#CCN1CCO[C@H]2CCN(C(=O)c3cnn(C)c3N)C[C@H]21 1074223344 XNQRAIZGCMTWFF-KGLIPLIRSA-N 317.393 -0.059 30 20 DBED CNC(=O)CC(=O)N1C[C@H]2CCN(C(=O)[C@@H](C)C#N)CC[C@H]2C1 1074362051 VPNSTUHXXQVWGY-RWMBFGLXSA-N 320.393 -0.021 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)c3cn(CC)nn3)C[C@@H]21 1074370508 BIVYFCIRPSMCPK-UONOGXRCSA-N 303.366 -0.154 30 20 DBED CC(=O)NCC(=O)NCC[C@H](C)NC(=O)c1ccc(C#N)[nH]1 1075418754 YUDYQJBOESCXIE-VIFPVBQESA-N 305.338 -0.353 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)c1ncoc1C 1076217719 FVMZYYMETVNPBZ-JTQLQIEISA-N 320.349 -0.253 30 20 DBED C#CCOCCC(=O)N[C@@H](C)CCNC(=O)c1cnnn1CC 1076385647 IMUBUXCBNGPATN-LBPRGKRZSA-N 321.381 -0.038 30 20 DBED C[C@@H](CCNC(=O)Cn1ncnn1)NC(=O)c1cc(C#N)c[nH]1 1076649336 GSSVAMZKNKSXAT-VIFPVBQESA-N 316.325 -0.802 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)c2ccc(C(N)=O)[nH]2)C1 1077684164 KCXOUVVZLRQSCN-GHMZBOCLSA-N 312.757 -0.359 30 20 DBED C#CCOc1ncccc1C(=O)N[C@@H]1CN(CC#N)C[C@H]1O 1078025906 BBKDRZAHQPRKHF-CHWSQXEVSA-N 300.318 -0.608 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CN2CCCC2=O)C1 1081251409 NYEHGHMGNBHFTH-QWHCGFSZSA-N 323.393 -0.490 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)c2nonc2C)C[C@@H]1O 1081333347 RVBGRXDBXNTTGM-QWRGUYRKSA-N 308.338 -0.107 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2ocnc2C)C1 1081373260 FSEILSQDSVWVFI-NWDGAFQWSA-N 323.349 -0.265 30 20 DBED C#CCCCC(=O)N1C[C@H](CNC(=O)c2ncc[nH]2)[C@@H](O)C1 1081455090 ILGQPCCYGABLNM-RYUDHWBXSA-N 304.350 -0.238 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)C(=O)N2CCC[C@H]2CC)C1 1083929857 OGRHVQAXYYHVLE-MCIONIFRSA-N 307.394 -0.428 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)c2cncc(C(N)=O)c2)C1 1084067413 PUBFLEGOKWFRPX-NEPJUHHUSA-N 324.768 -0.292 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1CC(=O)NC 1085647602 PDCLIVRIFUQPBV-KGLIPLIRSA-N 306.410 -0.637 30 20 DBED Cn1nnnc1CN[C@H]1C[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 1086336805 PZQKZMGDKILWPY-HOMQSWHASA-N 314.353 -0.292 30 20 DBED COCCn1ncc(C(=O)N[C@H]2CCN(CC#N)C[C@H]2O)c1C 1090259325 TYJXSMYTVATHRA-UONOGXRCSA-N 321.381 -0.474 30 20 DBED C#CCCN1CC[C@@H](NC(=O)Cc2cnn(C)c2C)[C@H](O)C1 1090311942 BELNFVCRAFMOCN-HUUCEWRRSA-N 304.394 -0.154 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(c2nc(CC)ns2)C[C@H]1O 1090494263 ABWCNYRWWDJQCV-GHMZBOCLSA-N 324.406 -0.194 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(c2nccc(OC)n2)C[C@@H]1O 1091152641 FLYXJKIBHCZWFP-TUAOUCFPSA-N 320.349 -0.811 30 20 DBED COC(=O)NCC(=O)NC1[C@H]2CN(c3nccnc3C#N)C[C@H]12 1093239680 MXUBAADDXDRGLF-IUCAKERBSA-N 316.321 -0.745 30 20 DBED N#Cc1ccc(NCCNC(=O)c2nccnc2C(N)=O)nc1 1093625222 JPNMHIDGKKQXBD-UHFFFAOYSA-N 311.305 -0.316 30 20 DBED CC(=O)N1CCC[C@@H]1C(=O)NCCN=c1cc[nH]cc1C#N 1093683636 FDXGFHGZYIZMPD-CQSZACIVSA-N 301.350 -0.086 30 20 DBED COCc1cc(C(=O)NCCN=c2cc[nH]c(C#N)n2)no1 1094157279 NADSMUGBOSCFBI-UHFFFAOYSA-N 302.294 -0.254 30 20 DBED COc1cc(C(=O)NCCN=c2cc[nH]cc2C#N)nn1C 1094262837 RXXSHKSPBPHTCS-UHFFFAOYSA-N 300.322 -0.041 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCc1cn(C2CN(CC)C2)nn1 1094296975 OGEVPZVWDADESM-HNNXBMFYSA-N 316.409 -0.132 30 20 DBED N#Cc1nc(=NCCCNC(=O)[C@H]2CCNC(=O)C2)cc[nH]1 1094382232 UFPXYWFRZJJRAB-JTQLQIEISA-N 302.338 -0.785 30 20 DBED C=CCCN1CCN(C(=O)c2cn[nH]c2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094607799 PNAOJQPYUMJFDX-QWHCGFSZSA-N 324.406 -0.091 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)c3oncc3C)CC2=O)C1 1094803710 IZXSUFJCIACIAD-LLVKDONJSA-N 302.334 -0.369 30 20 DBED C[C@H](NC(N)=O)C(=O)N[C@H]1C[C@H](Nc2cnc(C#N)cn2)C1 1097013409 BUAYXRTYZSBFEW-CIUDSAMLSA-N 303.326 -0.536 30 20 DBED CNC(=O)NCC(=O)N[C@H]1C[C@H](Nc2cncc(C#N)n2)C1 1097109785 JNKUNCNECDZUTG-KYZUINATSA-N 303.326 -0.664 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)CC(C)(C)C=C)[C@@H](O)C1 1099846861 CWOHBPRMQZPLBT-KGLIPLIRSA-N 321.421 -0.111 30 20 DBED C=C(C)CCC(=O)N[C@@H]1CCN(CCS(C)(=O)=O)C[C@H]1O 1099856316 VJZRHZNHZHVWDE-CHWSQXEVSA-N 318.439 -0.061 30 20 DBED Cc1csc(=O)n1CCC(=O)N[C@H]1CCN(CC#N)C[C@@H]1O 1099879586 MOQGEDIYZBQVHC-RYUDHWBXSA-N 324.406 -0.317 30 20 DBED C#CCN1CC[C@@H](NC(=O)COc2c(C)occc2=O)[C@H](O)C1 1099916988 WUDZNTVLUAKGOQ-TZMCWYRMSA-N 320.345 -0.488 30 20 DBED CN(CCNC(=O)CN1CCOCC1)c1ncccc1C#N 1100065670 OWUNBUFSAOMNQG-UHFFFAOYSA-N 303.366 -0.162 30 20 DBED CN(CCNC(=O)CCn1ccnn1)c1ccnc(C#N)n1 1100075617 UAYZFBOXDYBACP-UHFFFAOYSA-N 300.326 -0.418 30 20 DBED CN(CCNC(=O)Cn1ncn(C)c1=O)c1ccc(C#N)cn1 1100214732 BMNQIMBQQKYSST-UHFFFAOYSA-N 315.337 -0.899 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NCC1CC(NCC(=O)NC)C1 1100733367 WLXDTYOMOGQTLE-RUXDESIVSA-N 324.425 -0.312 30 20 DBED C#CCNC(=O)[C@H](C)NC1CC(CNC(=O)CN(CC)CC)C1 1100770921 QBGJPWDPKGCMPQ-NFOMZHRRSA-N 322.453 -0.050 30 20 DBED C=CCOCC(=O)NC[C@@H]1CCCN1c1ccc2nnnn2n1 1100807988 OWJXMUSWKRGESC-NSHDSACASA-N 317.353 -0.193 30 20 DBED CCC(=O)N[C@@H]1CC2(CN(CC(=O)NCC#N)C2)n2ccnc21 1101600462 DQCXQTKEXPZDRL-LLVKDONJSA-N 316.365 -0.495 30 20 DBED CN(CCNc1ccc(C#N)cn1)C(=O)CCn1cnnn1 1101739848 BXHKPKYPIRTUOW-UHFFFAOYSA-N 300.326 -0.100 30 20 DBED C=CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)CC(=O)NC)C1 1101910841 YWKHUQVXXBHJBR-VXGBXAGGSA-N 310.398 -0.891 30 20 DBED C[C@@H](C(=O)N(C)CCN=c1cc[nH]cc1C#N)S(C)(=O)=O 1102032673 UJOYDTQRHJZRHP-JTQLQIEISA-N 310.379 -0.321 30 20 DBED CN(C(=O)C1(C(N)=O)CC1)[C@H]1CCN(c2ccc(C#N)nn2)C1 1102755607 CKZYEJIGHRORLQ-NSHDSACASA-N 314.349 -0.349 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H](C)CNc1ccc2nnnn2n1 1104090113 VZXZEAWPHZBBGV-GHMZBOCLSA-N 317.353 -0.278 30 20 DBED N#Cc1cccnc1NC[C@H](O)CNC(=O)CCn1ccnn1 1105794690 JPZRSHOEPQLLEC-GFCCVEGCSA-N 315.337 -0.476 30 20 DBED Cc1nonc1CC(=O)NC[C@H](O)CNc1cncc(C#N)n1 1105948189 VVLCGACARUAAML-SNVBAGLBSA-N 317.309 -0.829 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)[C@@H]2[C@H]3COC[C@H]32)nc1 1106062061 BEJYVJXQMOLGIJ-NMKXLXIOSA-N 302.334 -0.265 30 20 DBED N#Cc1cncc(NC[C@@H](O)CNC(=O)Cc2cscn2)n1 1106126435 MDIBAEZYFYMUEQ-LLVKDONJSA-N 318.362 -0.064 30 20 DBED C#CCCN1CC(n2cc(CNC(=O)[C@H](COC)OC)nn2)C1 1107207730 DAFVNIRGSIUTPQ-AWEZNQCLSA-N 321.381 -0.564 30 20 DBED CCN(C)C(=O)CN1CCO[C@@](C)(CNC(=O)[C@@H](C)C#N)C1 1107819737 UIYXQOSHAYCRGF-WFASDCNBSA-N 310.398 -0.169 30 20 DBED Cn1nnnc1CN1CCO[C@@](C)(CNC(=O)C#CC2CC2)C1 1107929915 BYLUNPABIMAPGB-HNNXBMFYSA-N 318.381 -0.669 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)CS(=O)(=O)CC)C1 1108419882 SWCIVYPKIZTRPF-CYBMUJFWSA-N 302.396 -0.739 30 20 DBED CC(=O)N(C)CCCC(=O)N[C@@H](C)CN=c1cc[nH]c(C#N)n1 1108477325 RTLGVSAALKXLIV-NSHDSACASA-N 318.381 -0.055 30 20 DBED C=CCCCC(=O)N[C@@H]1CC(=O)N(C2CN(CC(N)=O)C2)C1 1108568030 HONQZZISFHIAQP-LLVKDONJSA-N 308.382 -0.771 30 20 DBED C[C@@H](CNc1nccnc1C#N)NC(=O)[C@@H]1CCS(=O)(=O)C1 1108604247 GNCWKCQCELDTSM-VHSXEESVSA-N 323.378 -0.300 30 20 DBED CN(CCCN=c1cc[nH]c(C#N)n1)C(=O)[C@@H]1COCCO1 1109370853 HTUPVHFTTAFNFN-NSHDSACASA-N 305.338 -0.554 30 20 DBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cnco1 1109575271 SNWFZZZQHYWDHG-VWYCJHECSA-N 303.322 -0.351 30 20 DBED CN(CCCNc1nccnc1C#N)C(=O)c1nnn(C)n1 1109588215 UILFFHGSXNMIRX-UHFFFAOYSA-N 301.314 -0.554 30 20 DBED Cc1cc(C#N)nc(NCCCN(C)C(=O)[C@@H]2CNC(=O)N2)n1 1109599021 VGRDVWSNAIFMTO-NSHDSACASA-N 317.353 -0.402 30 20 DBED N#Cc1ccc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)C2(C(N)=O)CC2)nn1 1109739856 HHJOLROPGYIEKQ-QRTLGDNMSA-N 312.333 -0.693 30 20 DBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H]1CCNC1=O 1110893261 DJKFTQLFSFXAJU-LPWJVIDDSA-N 320.393 -0.854 30 20 DBED CC(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC#N 1111152372 VNZZEQBAQMXZEQ-LPWJVIDDSA-N 321.381 -0.998 30 20 DBED CC(=O)NCC(=O)NC1CC(CNc2ccc(C#N)nn2)C1 1112812549 IXVKKHIILKTGAO-UHFFFAOYSA-N 302.338 -0.209 30 20 DBED C[C@@H](NC(=O)Cn1ncnn1)[C@@H](C)Nc1cnc(C#N)cn1 1113193966 NKXCUXKAFBDZCD-RKDXNWHRSA-N 301.314 -0.660 30 20 DBED C[C@@H](C(=O)N1CCN(CC(=O)NCC#N)CC1)[C@H]1CCCO1 1113317951 IJTCKQFQDBWATH-CHWSQXEVSA-N 308.382 -0.415 30 20 DBED CC(=O)NCC(=O)NC[C@@H](C)N(C)c1nc(C)cc(C#N)n1 1113479235 RWBYGLYULSSVFR-SNVBAGLBSA-N 304.354 -0.266 30 20 DBED C[C@H](CNC(=O)Cn1cnnc1O)N(C)c1ccc(C#N)cn1 1113568992 QWDBVKQNZBYXKV-SNVBAGLBSA-N 315.337 -0.109 30 20 DBED C=CCNC(=O)NC(=O)CN1C[C@H]2C(NC(=O)CCOC)[C@@H]2C1 1113762246 RBDVLXCFGYVHSE-GHMZBOCLSA-N 324.381 -0.919 30 20 DBED C=CCOCCN1C[C@H]2[C@H](NC(=O)CN3CCCC3=O)[C@H]2C1 1113834433 VFNDRADXIGXFJE-VIKVFOODSA-N 307.394 -0.142 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)c3cc[nH]n3)[C@H]2C1 1113893966 QFCNHRSNVRXHHP-DCAQKATOSA-N 303.366 -0.240 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)c3ccnn3C)[C@@H]2C1 1113990242 LUYZCBMQAYHILI-QJPTWQEYSA-N 315.377 -0.782 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)c3ocnc3C)[C@@H]2C1 1114104158 XFVQWANKBUIJAS-QJPTWQEYSA-N 316.361 -0.219 30 20 DBED N#CCNC(=O)CN1C[C@H]2C(NC(=O)CCc3ncc[nH]3)[C@@H]2C1 1114206221 HJYHOXNXOZAKMH-GHMZBOCLSA-N 316.365 -0.972 30 20 DBED Cc1nnccc1C(=O)NC1[C@H]2CN(CC(=O)NCC#N)C[C@H]12 1114524214 QKMIMBZOFUEWHA-RYUDHWBXSA-N 314.349 -0.915 30 20 DBED C#CCOCCC(=O)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1116386573 KGAIJSQYEBZPHO-HNNXBMFYSA-N 307.350 -0.137 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2C[C@@H]3CCC[C@]3(N)C2)nn1 1118767886 ZRBBSPTVBUNDRT-NHYWBVRUSA-N 318.381 -0.580 30 20 DBED COC1(CC(=O)NC[C@H](CO)N=c2cc[nH]c(C#N)n2)CCC1 1121364392 DAGKZTRQAZXYFJ-LLVKDONJSA-N 319.365 -0.382 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)C[C@@H]2CCOC2)nn1 1121400132 TYLRYBLYZMQBCW-JQWIXIFHSA-N 305.338 -0.336 30 20 DBED C=CCn1c(C[C@H]2CCNC(=O)C2)nnc1N1CCNC(=O)C1 1121650038 AVWMCUDPNSEPOV-LLVKDONJSA-N 318.381 -0.531 30 20 DBED COC1CC(C(=O)NC[C@H](CO)N=c2cc(C)[nH]cc2C#N)C1 1122177374 SIPWDHMOVTVZEL-HRDQMINSSA-N 318.377 -0.002 30 20 DBED Cc1nn[nH]c1C(=O)NC[C@@H](CO)N=c1cc[nH]cc1C#N 1122386212 PVMPTXQSJPCWIL-JTQLQIEISA-N 301.310 -0.996 30 20 DBED CN(C[C@H](O)CNc1cnc(C#N)cn1)C(=O)[C@H]1CCOC1 1124139785 CENNKAMHBCZWJO-CMPLNLGQSA-N 305.338 -0.384 30 20 DBED COC(=O)c1nc(=NC[C@@H](O)CN(C)C(=O)[C@H](C)C#N)cc[nH]1 1124191766 PGYYWDLGVWAXPM-NXEZZACHSA-N 321.337 -0.924 30 20 DBED CN(C[C@@H](O)CNc1ccc(C#N)nn1)C(=O)CCCC(N)=O 1124394625 YRJDZRQOPVZTAY-NSHDSACASA-N 320.353 -0.765 30 20 DBED CN(C[C@@H](O)CNc1cnc(C#N)cn1)C(=O)c1n[nH]cc1F 1124714702 JQJMINVXWQSHGZ-VIFPVBQESA-N 319.300 -0.245 30 20 DBED C=CCOCC(=O)NCCNC[C@@H](O)COC1CCOCC1 1124772660 IIERZCYSPKNZES-CYBMUJFWSA-N 316.398 -0.549 30 20 DBED CN(CC(=O)NCCNCc1ccccc1C#N)S(C)(=O)=O 1128604358 WHYIDVVQQYBJCX-UHFFFAOYSA-N 324.406 -0.345 30 20 DBED C=C(C)CN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H](C)CC(N)=O)C1 1129154077 JLUMPRBSCOYAKO-UPJWGTAASA-N 320.397 -0.293 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@@H]1CCc2ncncc2C1 1129208346 RHSBMNVFVLNAOC-GFCCVEGCSA-N 315.377 -0.963 30 20 DBED Cc1c(C(=O)NCCNCC(=O)NCC#N)sc2nccn12 1129660588 NUKMMZMRURHWIJ-UHFFFAOYSA-N 320.378 -0.337 30 20 DBED C=C[C@](C)(O)CC(=O)N1C[C@H](n2ccnn2)[C@H](NCC#N)C1 1129788278 JMDRHRFEGKXNRX-DYEKYZERSA-N 304.354 -0.530 30 20 DBED C=CCOCC(=O)NCc1nc([C@@H]2COCCN2CC#N)n[nH]1 1130835661 PCOVOSXPMMSFFG-NSHDSACASA-N 320.353 -0.480 30 20 DBED CCC(=O)NCC(=O)N1C[C@@H](C)O[C@]2(CCN(CC#N)C2)C1 1131645963 NNPLXLOYSKFMOI-DOMZBBRYSA-N 308.382 -0.272 30 20 DBED C=CCn1cc(C(=O)NCCNCc2nn(CC)nc2C)nn1 1134970317 RZXOLUHEGBJADW-UHFFFAOYSA-N 318.385 -0.096 30 20 DBED C#CCN[C@H](C)C[C@@H](C)NC(=O)Cn1ncn2nccc2c1=O 1135614520 VHRXFANSTNUSGU-VXGBXAGGSA-N 316.365 -0.603 30 20 DBED C=CCNC(=O)CNCCNC(=O)CCCC(=O)NCCC 1148243111 ODFOVRSODYVRKO-UHFFFAOYSA-N 312.414 -0.309 30 20 DBED C=CCNC(=O)CN1CCCO[C@H](CNC(=O)C(F)F)C1 1148986936 RBYMKEMLAQWIIU-SNVBAGLBSA-N 305.325 -0.239 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1ccc2nccnc2c1 1150338775 CSHDNGWFQKDXPC-UHFFFAOYSA-N 311.345 -0.301 30 20 DBED C#CCCN1CCCO[C@H](CNC(=O)C[C@H]2CCC(=O)N2)C1 1150436755 WRQUMHOPQZCIOB-ZIAGYGMSSA-N 307.394 -0.115 30 20 DBED C=CCN1CC[C@@H](N(CC)[C@H](C)CNC(=O)CC(N)=O)C1=O 1152506976 OOFCOUBFPVWHFS-VXGBXAGGSA-N 310.398 -0.525 30 20 DBED C=CCN(CC=C)C(=O)CNCCCNC(=O)Cn1nccn1 1158915428 BRDRZHYOZPLTOO-UHFFFAOYSA-N 320.397 -0.425 30 20 DBED COCC1(CNC(=O)C2CC2)CCN(CC(=O)NCC#N)CC1 1162047502 BYHKXYITXHSEOS-UHFFFAOYSA-N 322.409 -0.119 30 20 DBED CCN(C)CCC(=O)NCCC1(CNCC(=O)NCC#N)CC1 1167635354 JJMOYMOMLXOYBO-UHFFFAOYSA-N 323.441 -0.156 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@]1(C)CCN(C(C)=O)C1 1170440123 FUUXEZSAQPTMDE-MRXNPFEDSA-N 322.409 -0.910 30 20 DBED C=CCOCCNCCCNC(=O)C(C)(C)NC(=O)NC 1176898288 RIBNEKODFNPERU-UHFFFAOYSA-N 300.403 -0.008 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H]2OCCN(CC#C)[C@H]2C1 1176982697 HLELAZHYNFCCCH-KBPBESRZSA-N 303.362 -0.939 30 20 DBED C=CCNC(=O)CNCCCCCCNC(=O)C1(C(N)=O)CC1 1179430746 OPKWUCOWNPDPOS-UHFFFAOYSA-N 324.425 -0.180 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)[C@@H](C)OCC=C)[C@H]1C 1180268619 DICDISPPZGOJNG-MJBXVCDLSA-N 307.394 -0.094 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2ccc(F)cn2)C1 1182121977 UJLDVBHEFPTTRB-GFCCVEGCSA-N 304.325 -0.226 30 20 DBED C#CCCCC(=O)N1CC[C@@H](N[C@H](C)C(=O)NC(=O)NC)C1 1182220623 NFSIJFHDDACWDQ-VXGBXAGGSA-N 308.382 -0.176 30 20 DBED CC(C)[C@@H](C(=O)N1CC[C@@H](NCC(=O)NCC#N)C1)N(C)C 1183436222 LKXBXUXDOZDERV-OCCSQVGLSA-N 309.414 -0.597 30 20 DBED C#CCNC[C@@H]1CCN(C(=O)CN2CCOCC2=O)C[C@H]1C 1184588180 XCELYULFFQOJAW-KGLIPLIRSA-N 307.394 -0.447 30 20 DBED COCC#CCN1C[C@@H]2CCN(C(=O)c3[nH]nnc3C)[C@@H]2C1 1188744970 WXGCDQOIQTWYOG-QWHCGFSZSA-N 303.366 -0.091 30 20 DBED C=CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3ccn(C)n3)[C@@H]2C1 1190149100 RAQXLGKJZSYOET-GXTWGEPZSA-N 317.393 -0.131 30 20 DBED NC(=O)CC(=O)N[C@@H]1CN(CC#Cc2ccc(F)cc2)C[C@H]1O 1191966968 BNMWAWLLESWLEE-ZIAGYGMSSA-N 319.336 -0.786 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(Cc2cc(C)on2)C[C@H]1O 1192523824 AIDRKJBKKRGDKW-NFAWXSAZSA-N 309.366 -0.029 30 20 DBED CCN1CC[C@H](N2C[C@@H](O)[C@H](NC(=O)C#CC(C)C)C2)C1=O 1192760963 ANPSZJDHIIRRMU-HZSPNIEDSA-N 307.394 -0.572 30 20 DBED C#CCC1(C(=O)N[C@@H]2CN(C[C@@H](C)O)C[C@H]2O)CCOCC1 1193720763 ZDVPWKYSFUZPFW-MGPQQGTHSA-N 310.394 -0.651 30 20 DBED C=CCCOCC(=O)N1CCCN(CC(=O)NC(N)=O)CC1 1198323731 DECFOGYKGUWSFF-UHFFFAOYSA-N 312.370 -0.692 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@H](C)NC(=O)c2ccco2)C1 1198879505 GOPNRCORYGLYGD-YNEHKIRRSA-N 319.361 -0.418 30 20 DBED C#CCCNC[C@H]1CN(C(=O)CCn2cncn2)CCCO1 1199853839 SHBIFLFBZNJERB-AWEZNQCLSA-N 305.382 -0.101 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)Cc2cc(C)on2)CC1 1199861571 YBHWEALATLTKSM-UHFFFAOYSA-N 318.377 -0.144 30 20 DBED C=C(C)CNC[C@H]1CN(C(=O)CS(C)(=O)=O)CCCO1 1199998682 LKARBUFMBJDNPA-LBPRGKRZSA-N 304.412 -0.186 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)c2cncnc2)CC1 1200178266 DPSSBYITCBVMNY-UHFFFAOYSA-N 303.366 -0.027 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CCN(C(=O)c2cncn2C)CC1 1201475711 LIPPDPWCRGKGKQ-GFCCVEGCSA-N 317.393 -0.248 30 20 DBED C#CCNC[C@@H]1CN(C(=O)[C@@H]2CCCCN2C(N)=O)CCCO1 1201822497 BCMAHNYYXDXAPB-KGLIPLIRSA-N 322.409 -0.240 30 20 DBED C#CCN[C@@H]1C[C@H](NC(=O)COCc2ncnn2C)C12CCC2 1203554828 GDYDLAIQIRJVNC-OLZOCXBDSA-N 317.393 -0.018 30 20 DBED C=CCCCN[C@H]1CCCN(C(=O)CNC(=O)CNC(C)=O)C1 1208440107 ZHVDSWNAKKHGTN-AWEZNQCLSA-N 324.425 -0.215 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2nonc2C)[C@H](C)C1 1211458791 PXKRDCKCXHUKSD-MWLCHTKSSA-N 305.338 -0.822 30 20 DBED CO[C@@H]1CN(CC(=O)N(C)CC2CC2)C[C@H]1NC(=O)[C@@H](C)C#N 1212039821 UVALLWJMXQCRHQ-IACUBPJLSA-N 322.409 -0.170 30 20 DBED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)[C@@]1(C)C=CCC1 1213273586 VURJLEQSKNZRMS-IOASZLSFSA-N 320.393 -0.202 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CNC(=O)c1ccoc1 1217977455 ZCBUFDPJQDIFMF-QWHCGFSZSA-N 318.333 -0.555 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)c2cncs2)C1 1219270594 DFTFIUMNADGNME-MXWKQRLJSA-N 322.390 -0.944 30 20 DBED CC(F)(F)C(=O)N1C[C@H]2CCN(CC(=O)NCC#N)C[C@H]21 1221224292 USRKLJCVKHXWIT-NXEZZACHSA-N 300.309 -0.186 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)[C@H](C)OCC)[C@@H]2C1 1221306100 YSLUIJDZMFAWMA-BFHYXJOUSA-N 307.394 -0.307 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)COCC=C)[C@@H]2C1 1221441729 RIIUKIDNKQQQJQ-ZIAGYGMSSA-N 305.378 -0.529 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CCN(CCNS(C)(=O)=O)C[C@H]21 1221448927 SDQJFPDFYWINJW-IJLUTSLNSA-N 314.411 -0.772 30 20 DBED COC[C@H](C)CC(=O)N1C[C@H]2CCN(CC(=O)NCC#N)C[C@H]21 1221908161 VLVWMMLBJYDIIY-MGPQQGTHSA-N 322.409 -0.169 30 20 DBED COCC#CCN[C@@H]1CCCN(C(=O)[C@H](C)N2CCOCC2)C1 1222143082 RPTYWLOEOYDTLS-JKSUJKDBSA-N 323.437 -0.063 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC(CNC(=O)CCOC)CC1 1222216919 KAFJRHZPEUQTOO-ZDUSSCGKSA-N 309.410 -0.011 30 20 DBED COC[C@H](O)CN1CCC(NC(=O)CSCC#N)CC1 1226152640 OGMGXDXKEKEIKZ-GFCCVEGCSA-N 301.412 -0.169 30 20 DBED C#CCO[C@H](C)C(=O)NC1CCN(CC(=O)NC(=O)NC)CC1 1227342636 SHQQGZBMMFECHJ-LLVKDONJSA-N 324.381 -0.939 30 20 DBED C=CCNC(=O)[C@H](C)N1CCC(NC(=O)c2cnn[nH]2)CC1 1228131525 BNSDYDGCDQDUPR-JTQLQIEISA-N 306.370 -0.310 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@@H]1CN(C)C(=O)CC(C)(C)O 1234039582 NLGUSRMYLLHTMP-QWHCGFSZSA-N 309.410 -0.182 30 20 DBED C=CCCCN1CC[C@@H]1CN(C)C(=O)Cn1cnc(C(N)=O)n1 1234415989 WVCSQVLJQMGNRB-GFCCVEGCSA-N 320.397 -0.124 30 20 DBED N#C[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C1 1262232628 ISMCOCSZQQYPBE-MELADBBJSA-N 320.393 -0.272 30 20 DBED Cc1cc(=NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc[nH]1 1262686861 XHNIOOYAQLDIRA-CQSZACIVSA-N 313.361 -0.051 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCC(CCN(C)C)CC1 1323026071 IJYBWQWTCPNTNE-UHFFFAOYSA-N 309.410 -0.057 30 20 DBED C=CCNC(=O)CNC(=O)NC[C@@H]1CCCS(=O)(=O)C1 1323187166 IUTLVDDHTQUNLD-JTQLQIEISA-N 303.384 -0.587 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCO[C@H](c2ccco2)C1 1323697989 FJZNDOHNYQSKQN-ZDUSSCGKSA-N 306.318 -0.055 30 20 DBED C#CC[C@H](CO)NC(=O)c1cnn2c1C[C@H](CNC(C)=O)CC2 1325084168 JPCDXXYQMGRWJH-CHWSQXEVSA-N 318.377 -0.304 30 20 DBED CN(C)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)C1 1326128639 QPHAWVNLYPUHGP-ZENOOKHLSA-N 322.409 -0.148 30 20 DBED C=CCOCCNC(=O)C(=O)N1CCC(O)(COC)CC1 1327927749 RIYQHHVXNZGWOC-UHFFFAOYSA-N 300.355 -0.695 30 20 DBED C#CCN(C(=O)C(=O)NC[C@@H]1CC[C@H](C(=O)N(C)C)O1)C(C)C 1333100289 OTGBXVDHSAUYHV-QWHCGFSZSA-N 323.393 -0.391 30 20 DBED C[C@@H](C#N)CN(C)C(=O)C(=O)Nc1cccc(S(N)(=O)=O)c1 1338641895 PKFFGHXXNSCLNI-VIFPVBQESA-N 324.362 -0.109 30 20 DBED Cn1cc(C2=NO[C@@H](C(=O)N3CCN(CC#N)CC3)C2)cn1 1338849337 BSBMZHBFASQMJK-CYBMUJFWSA-N 302.338 -0.419 30 20 DBED CN(CC(C)(C)O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1340261713 KGAFCMUQDPAKSE-VAWYXSNFSA-N 310.354 -0.075 30 20 DBED C=CCN(C(=O)C(=O)NCCC(=O)N1CCN(C)CC1)C1CC1 1340466539 URVGAPWWZWXSGX-UHFFFAOYSA-N 322.409 -0.556 30 20 DBED CN(C(=O)C(=O)NCc1cccc(C#N)c1)[C@H]1CCNC1=O 1345005406 JJDVCWKQUAFUTK-LBPRGKRZSA-N 300.318 -0.479 30 20 DBED CC(C)C(=O)NCCCNC(=O)C(=O)N1CC[C@@](F)(C#N)C1 1347152680 IICDLERSHKAGBR-CQSZACIVSA-N 312.345 -0.271 30 20 DBED C#CCOCCN(C)C(=O)c1ccc(S(=O)(=O)NC)nc1 1347673201 FGNHTPJNKRBXGD-UHFFFAOYSA-N 311.363 -0.289 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CC(C(C)(C)O)C2)nn1 1349047062 ZLVWDJNSOMNRLP-UHFFFAOYSA-N 307.354 -0.690 30 20 DBED C=C[C@H](CO)NC(=O)C(=O)Nc1cccc(C(=O)N(C)C)c1 1350309114 LVZRTKJVXMHDRY-LLVKDONJSA-N 305.334 -0.010 30 20 DBED CNC(=O)NC(=O)CN[C@H]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 1370443565 VOYCDCMSVRMRTL-MGCOHNPYSA-N 318.337 -0.808 30 20 DBED CN(C[C@H](O)CNC(=O)c1cc(C#N)c[nH]1)C(=O)c1ccon1 1384194185 MXGCETZNLCOPNW-SNVBAGLBSA-N 317.305 -0.263 30 20 DBED C[C@H](C#N)C(=O)N(CCO)C1CCN(C(=O)c2cn[nH]c2)CC1 1384767779 NDNQBYNETLGJND-LLVKDONJSA-N 319.365 -0.005 30 20 DBED N#Cc1ccc(CNC[C@@H](O)CNC(=O)[C@H]2COC(=O)N2)s1 1401511250 RFKXTSWFOLNRNH-LDYMZIIASA-N 324.362 -0.705 30 20 DBED CCN(CCC#N)C(=O)CN1CC(O)(CNC(=O)CC(C)C)C1 1402287783 HWLXPBZDWDVFTD-UHFFFAOYSA-N 324.425 -0.042 30 20 DBED CC[C@H](CNC(=O)c1cn(C)c(=O)nc1O)NC(=O)[C@H](C)C#N 1409312420 REBOOCCLNPEMGB-RKDXNWHRSA-N 321.337 -0.730 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)NC[C@@H]1CCCN(C(N)=O)C1 1413354406 GESQHUFVFJJWBW-MNOVXSKESA-N 317.415 -0.155 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1conc1C1CC1 1416781793 KLWHMQPEGSBMFC-SCZZXKLOSA-N 306.322 -0.081 30 20 DBED CS(=O)(=O)CC(=O)NC[C@H]1CCN1C(=O)c1c[nH]c(C#N)c1 1417007724 UGNIYDNGWYLKSY-LLVKDONJSA-N 324.362 -0.738 30 20 DBED CCS(=O)(=O)N[C@H](C)C(=O)NCCN(C)C(=O)[C@@H](C)C#N 1431291663 KUIWMELTRKYNPZ-VHSXEESVSA-N 318.399 -0.952 30 20 DBED C[C@H](CNC(=O)CNC(=O)N1CCCC1)CNC(=O)[C@H](C)C#N 1432967804 CZNZLXJHNTYNSA-VXGBXAGGSA-N 323.397 -0.180 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)CCN3CCCC3=O)[C@H]2C1 1454495614 ZULGOBFUHFGJOZ-UUIJZJDISA-N 318.377 -0.268 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)CCc1cnn(C)c1 1458002059 FKACMRXQWMBSGX-ZYHUDNBSSA-N 307.354 -0.894 30 20 DBED Cn1cc(C[C@@H](CO)NS(=O)(=O)c2ccc(C#N)o2)cn1 1463923062 XEAIDCXAVDTPCG-JTQLQIEISA-N 310.335 -0.233 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@@H]1CCCN(C(=O)Cn2cnnn2)C1 1495340453 QSXGHRSXHJGZEM-GHMZBOCLSA-N 305.342 -0.718 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1ccc2cc[nH]c2n1 1501554156 KMMMWYCJGCMBMU-GXSJLCMTSA-N 315.333 -0.071 30 20 DBED CCOc1ncccc1C(=O)NC[C@H](O)CNC(=O)[C@@H](C)C#N 1501605472 MNYHBTDHKQZYRM-WDEREUQCSA-N 320.349 -0.153 30 20 DBED C[C@H](C#N)C(=O)NC1CC(N(C)C(=O)C2(NC(N)=O)CC2)C1 1511934434 DECUDNRFTAXEFX-XNWIYYODSA-N 307.354 -0.547 30 20 DBED C=CCn1c(Cc2nc[nH]n2)nnc1N1CCN(C(C)=O)CC1 1520393798 ZFGOCQFMOMLYDP-UHFFFAOYSA-N 316.369 -0.159 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CCN(C(=O)CNC(=O)C2CC2)C1 1527087662 MPVOYVXTJNJJHV-GHMZBOCLSA-N 306.366 -0.363 30 20 DBED N#Cc1cn(CC(=O)N2CCCC[C@@H]2C(=O)O)c(=O)nc1O 1574248558 KUAPYGUEKJHIOD-SECBINFHSA-N 306.278 -0.714 30 20 DBED C#C[C@H](CO)NC(=O)C1=NN(c2ccccc2)[C@H](C(=O)O)C1 1588388753 ZMSADMKEUPJNHN-MFKMUULPSA-N 301.302 -0.184 30 20 DBED C=CCN1CC(=O)N([C@@H]2CCCCN(CC(=O)O)C2=O)C1=O 1588464479 SNQVPRNIKPXIAM-SNVBAGLBSA-N 309.322 -0.098 30 20 DBED C=C(CCC(=O)O)C(=O)N1CCC2(CC1)C[C@@H](O)CNC2=O 1588613804 DQXGPZNNXWHZIZ-LLVKDONJSA-N 310.350 -0.103 30 20 DBED CC#CCS(=O)(=O)NC(=O)c1cccc(-c2nn[nH]n2)n1 1588749528 BPZNESGFNMSQDN-UHFFFAOYSA-N 306.307 -0.655 30 20 DBED CON=CC(=O)N1CCN(c2ccc(-c3nn[nH]n3)nc2)CC1 1591466954 CXGDRYKXEOZORL-UHFFFAOYSA-N 316.325 -0.458 30 20 DBED CN1CCN(C(=O)CCN2CCC(C#N)(C(=O)O)CC2)CC1 1598605165 DBCOEQWCYDGPDA-UHFFFAOYSA-N 308.382 -0.159 30 20 DBED N#CCC1(CS(=O)(=O)N2CCC[C@@H](O)[C@H]2C(=O)O)CC1 1601063516 YBZIGOCBYUPGND-ZJUUUORDSA-N 302.352 -0.080 30 20 DBED C#CCN(CC(=O)O)C(=O)CN1CCCC2(CC2)S1(=O)=O 1602682943 XADKQDBFRWUXRP-UHFFFAOYSA-N 314.363 -0.509 30 20 DBED C[C@H](C(=O)N1CCC(C#N)(C(=O)O)CC1)N1CCN(C)CC1 1603139483 FDEQOJIENZEMPC-GFCCVEGCSA-N 308.382 -0.161 30 20 DBED N#CCCN1CCN(S(=O)(=O)C2(C(=O)O)CCC2)CC1 1608184891 YTXPLTLNLCASJI-UHFFFAOYSA-N 301.368 -0.145 30 20 DBED C[C@H]1c2nncn2CCN1c1c(C#N)c(=O)n(C)c(=O)n1C 1649769708 TZCLJQRHFPYDCP-QMMMGPOBSA-N 301.310 -0.872 30 20 DBED N#CCNC(=O)CNC[C@@H]1CCCN(C(=O)c2ccncn2)C1 1752809179 PPPGWTQUKZYWAM-LBPRGKRZSA-N 316.365 -0.442 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@H]1CCN(C(=O)CN(C)CCC)C1 1752957981 IRQGZIGIHPRWJC-LSDHHAIUSA-N 322.453 -0.096 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H](C)CCNC(=O)c1cc[n+]([O-])cc1 1753002214 ZMGRMVFEUALRQN-OLZOCXBDSA-N 318.377 -0.444 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@H]1CN(C(=O)[C@]1(C)CCOC1)C2 1753308789 DMFSWVYPBGSAFS-GRDNDAEWSA-N 319.405 -0.162 30 20 DBED C#CCNC(=O)CN1CC(CNC(=O)COc2ccsc2)C1 1753413539 GYGMHCASBUOTSA-UHFFFAOYSA-N 321.402 -0.076 30 20 DBED CN(C(=O)c1ccnn1C)[C@H]1CCN(CC(=O)NCC#N)C1 1753433263 FOAJUCJKRLFTIU-NSHDSACASA-N 304.354 -0.794 30 20 DBED C=CCOCCN(C)CCN(C)C(=O)[C@@H]1CCS(=O)(=O)N1 1753869240 LZRXIDFPJMVCRG-LBPRGKRZSA-N 319.427 -0.729 30 20 DBED C=CCNC(=O)CNC[C@@H](C)NC(=O)[C@H]1CN2CCC1CC2 1754225813 MTIQYTXSZWUBGQ-OCCSQVGLSA-N 308.426 -0.275 30 20 DBED C=CCN1CC[C@H](N2CCC[C@](C)(CNC(=O)C(N)=O)C2)C1=O 1754729537 LVQCEBXAYIOUKI-BLLLJJGKSA-N 322.409 -0.523 30 20 DBED N#Cc1cc(CN2CC[C@@](O)(CNC(=O)C(N)=O)C2)ccc1F 1754757232 GSHORCFSFDFKFN-OAHLLOKOSA-N 320.324 -0.764 30 20 DBED COCC#CCN1CCOC[C@@H]1CNC(=O)c1cc(OC)no1 1754965172 JIPUSIRDXLGHRO-LBPRGKRZSA-N 323.349 -0.236 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)[C@H](C)NC(=O)c1ccco1 1754975313 WINXGQILLRMNPV-QWHCGFSZSA-N 319.361 -0.152 30 20 DBED C#CCNC[C@H]1CN(C(=O)c2ccc3nnc(O)n3c2)CCO1 1755013985 ZYXDNYUVEBFKOD-LBPRGKRZSA-N 315.333 -0.501 30 20 DBED C=CCn1cc(C(=O)N(C)CCCN(C)[C@H](C)C(N)=O)nn1 1755045901 MMTDCMTVPMNQRB-LLVKDONJSA-N 308.386 -0.268 30 20 DBED C=CCOCC(=O)NC1(CNCc2nnn(C)n2)CCOCC1 1755094343 UERFNAVEGRDLTB-UHFFFAOYSA-N 324.385 -0.832 30 20 DBED C#CCNC(=O)CN[C@@H](C)[C@@H](C)NC(=O)CN1CCCCC1=O 1755242910 PTDMWTBRSUXZPJ-QWHCGFSZSA-N 322.409 -0.769 30 20 DBED C=CCNC(=O)CN[C@H](C)CN(C)C(=O)c1nnn(C)c1C 1755583257 WKNHGMXJOTWOPY-SNVBAGLBSA-N 308.386 -0.524 30 20 DBED COCC#CCN[C@@H](C)CN(C)C(=O)C(C)(C)S(C)(=O)=O 1755605406 DFGMVJKLNSXALV-LBPRGKRZSA-N 318.439 -0.104 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C[C@@H](O)CNCc1cncn1C 1755779702 OOPWZOPVYUDWAV-JSGCOSHPSA-N 308.382 -0.633 30 20 DBED C=CCC1(C(=O)N2CC([C@H](C)NC(=O)C(N)=O)C2)CCOCC1 1756155202 RJTNLNCKBCOZBQ-NSHDSACASA-N 323.393 -0.192 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H]1C[C@H](CNC(=O)Cn2cccn2)C1 1756250315 MMAIDDPMIARGBK-IHRRRGAJSA-N 318.377 -0.068 30 20 DBED Cc1ccn(C)c1C(=O)NC[C@H](CO)NC(=O)C#CC1CC1 1756515972 SHEYCQHVYURPSU-CYBMUJFWSA-N 303.362 -0.046 30 20 DBED C=CCOCC(=O)NC[C@H](CO)NC(=O)[C@@H](F)C(F)(F)F 1756520536 YFQQISSDGLMCNI-VXNVDRBHSA-N 316.251 -0.317 30 20 DBED C=CCO[C@@H](C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cncnc2)C1 1756997847 KETNHDATCYOXCW-CYZMBNFOSA-N 320.349 -0.631 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@H](NC(=O)c2ccnnc2)C1 1757215179 IHQDGTXHDDQQQC-OLZOCXBDSA-N 302.334 -0.563 30 20 DBED CC(C)C#CC(=O)N(C)C[C@@H]1CCN1C(=O)[C@H]1COC(=O)N1 1757286599 UYMPMSCDWHZGAJ-NWDGAFQWSA-N 307.350 -0.187 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC2(CC1)CNC(=O)C2 1771690429 WQRCBRODUKVBJE-NSHDSACASA-N 314.411 -0.075 30 20 DBED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CC(=O)NC)C2 1781690783 KGSFGKKIKNUEKY-MLGOLLRUSA-N 321.377 -0.730 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cnc(C)cn1)CCO2 1783047865 KPHHLTYQPOZAJH-INIZCTEOSA-N 314.345 -0.138 30 20 DBED N#CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3CC(O)C3)C[C@@H]21 1786362490 VFMGSUJVYBAHAX-ASUPZPJHSA-N 321.377 -0.349 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 1800793743 ORZCHTPPRCXVBF-WGJBLAJRSA-N 318.373 -0.223 30 20 DBED C[C@@H](S)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CNC(=N)N)C2 1802290236 HVQUPYDKJPBWKO-DOLQZWNJSA-N 313.427 -0.574 30 20 DBED N#CCC(=O)N1CCCC12CN(C(=O)CCN1CCOC1=O)C2 1842622622 HJLMTXXYWCBTPF-UHFFFAOYSA-N 320.349 -0.054 30 20 DBED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)c1cc(O)n[nH]1)C2 1846195292 YTEASYRYHDGBQW-UHFFFAOYSA-N 318.289 -0.980 30 20 DBED C[C@@H](S)C(=O)N1CCCC12CN(C(=O)c1ncn(C)n1)C2 1846367405 QVWQQKCHXQWPSJ-SECBINFHSA-N 309.395 -0.050 30 20 DBED N#CCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1CCOC1=O 1847691238 IKQMOUXQQNRNAJ-QWRGUYRKSA-N 306.322 -0.446 30 20 DBED CN(CCC#N)S(=O)(=O)NCC(=O)NCC(F)(F)F 48671992 JNGADBNVPPQVGG-UHFFFAOYSA-N 302.278 -0.655 30 20 DBED C#CCCCOC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 52745890 QBSQBTHGKQWVOQ-UHFFFAOYSA-N 318.333 -0.220 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)C2(O)CCCCC2)CC1 86538735 UMZSFJJBPDERMP-UHFFFAOYSA-N 321.421 -0.035 30 20 DBED C=CCN(CC=C)C(=O)CN1CC[C@@H](S(=O)(=O)NC)C1 155891188 FUBHRHLRVWIANO-GFCCVEGCSA-N 301.412 -0.190 30 20 DBED C[C@@H](CC#N)N(C)CC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O 161907447 XTBSGVIGEXVVCP-QMMMGPOBSA-N 305.338 -0.130 30 20 DBED N#Cc1ccc(S(=O)(=O)CCN2C[C@@H](O)C[C@H]2CO)cc1 186488440 PXPSACUZKKMRSQ-STQMWFEESA-N 310.375 -0.241 30 20 DBED C=CCN(C(=O)C1CN(C(C)=O)C1)[C@@H]1CCS(=O)(=O)C1 191101985 IIDHENZAMAAEPY-GFCCVEGCSA-N 300.380 -0.334 30 20 DBED CN(C)S(=O)(=O)CCNS(=O)(=O)c1cccc(C#N)c1 231009029 FEPKZYOANUVYIE-UHFFFAOYSA-N 317.392 -0.272 30 20 DBED C#CCOc1ccccc1NC(=O)C(=O)N1CCNC(=O)[C@@H]1C 276066991 SBRXDHYQPUPILJ-NSHDSACASA-N 315.329 -0.016 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@@H](C)[C@H](CO)C2)C1=O 276686490 DRAHHEZUXFQFTE-ZJUUUORDSA-N 309.322 -0.950 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCCN(CC)CC)C1=O 283248720 BIHIDJFRDWRLJM-CYBMUJFWSA-N 324.425 -0.310 30 20 DBED Cc1nsc(N2CCN(CCS(N)(=O)=O)CC2)c1C#N 288900963 NWWYWWBQAOBOKE-UHFFFAOYSA-N 315.424 -0.266 30 20 DBED C[C@H](/N=C(/O)CN1CCCS1(=O)=O)C(=O)N1CCOCC1 329251377 XZUWQBUIVFAFMF-JTQLQIEISA-N 319.383 -0.774 30 20 DBED O=C1CN=C(O)N1CC/N=C(/O)N[C@@H]1CCN2CCCC[C@H]12 329549191 PADPGBMAQKKVNF-GHMZBOCLSA-N 309.370 -0.127 30 20 DBED Cn1nnc(C/N=C(/O)N[C@@H]2CS(=O)(=O)c3ccccc32)n1 330299097 HUAGFVBIMXOJIS-SECBINFHSA-N 322.350 -0.258 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)NCC1(S(C)(=O)=O)CC1 331773452 QQYXLFLMPLPIGJ-SECBINFHSA-N 309.413 -0.511 30 20 DBED N#C[C@H]1CN(S(=O)(=O)NCCCN2CCCCC2)CCO1 336882070 BNGRQCDPMSDQQS-ZDUSSCGKSA-N 316.427 -0.079 30 20 DBED CCN(CCC#N)S(=O)(=O)NCCN1C(=O)CCCC1=O 337056913 CVCUTIOHRGDGIS-UHFFFAOYSA-N 316.383 -0.405 30 20 DBED Cc1nc(C(C)(C)NS(=O)(=O)N2CCO[C@@H](C#N)C2)no1 337071035 NDSBGBCSVOHYAQ-VIFPVBQESA-N 315.355 -0.328 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H]2C(=O)OC)C1=O 341878993 AEZJCOWNCCMHIW-SECBINFHSA-N 323.305 -0.873 30 20 DBED Cn1cc([C@H](CO)NC(=O)CNc2ccc(C#N)cn2)cn1 351492248 NWDHQOUMBRSFTR-LBPRGKRZSA-N 300.322 -0.052 30 20 DBED N#Cc1ncn(CCNS(=O)(=O)c2cccnc2C#N)n1 352636373 GGIRZAWQTKAMBA-UHFFFAOYSA-N 303.307 -0.605 30 20 DBED COCCN(C(=O)CN(C)CCC#N)[C@H]1CCS(=O)(=O)C1 355442690 AHXDVLJVDUAGNY-LBPRGKRZSA-N 317.411 -0.506 30 20 DBED COC(=O)c1n[nH]cc1NC(=O)CNc1ccc(C#N)cn1 356868603 COSYNQGCQBUWEU-UHFFFAOYSA-N 300.278 0.514 30 20 DBED C[C@@H](NC(=O)c1cc(C#N)c[nH]1)C(=O)N1CCS(=O)(=O)CC1 359178192 RHCCXNCSTLQPAN-SECBINFHSA-N 324.362 -0.738 30 20 DBED C#C[C@@H](NC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)C(C)C 366849752 JCNVNFOXYWUCOM-HUUCEWRRSA-N 321.421 -0.059 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N1CCN2C(=O)OC[C@H]2C1 367172917 OLHIBLWTWONVFK-VHSXEESVSA-N 302.356 -0.398 30 20 DBED C=CCN(CC(=O)O)C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 400110454 FNFXUVPUJVIDQD-JTQLQIEISA-N 319.383 -0.307 30 20 DBED CCOC(=O)CN1CCCN(S(=O)(=O)[C@@H](C)C#N)CC1 416390070 MEPOGXYBEKEFGY-NSHDSACASA-N 303.384 -0.201 30 20 DBED C=CCN(CCOC)C(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C 420064547 OSWTUSRQSRADQE-RYUDHWBXSA-N 313.398 -0.123 30 20 DBED Cc1onc(CC(=O)NCCS(=O)(=O)N(C)C)c1C#N 428142082 PHDQFDJFEQQCFQ-UHFFFAOYSA-N 300.340 -0.595 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2C[C@@H](O)C2(C)C)C1=O 428290952 ONQGIDBUZRZWHI-RKDXNWHRSA-N 309.322 -0.761 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)c2nccc(C)n2)CC1 490721308 WEXQMYJGWWTWDE-UHFFFAOYSA-N 315.377 -0.318 30 20 DBED C#CCN1CCN(C(=O)CN2CC[C@@](F)(C(=O)OC)C2)CC1 490866066 LRHXFSNGYAYFHU-HNNXBMFYSA-N 311.357 -0.649 30 20 DBED C#CCNC(=O)C1CCN(CC(=O)NC(=O)NCC=C)CC1 491156324 ZESOKOGKFBWSQU-UHFFFAOYSA-N 306.366 -0.540 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@@H](OC)[C@@H](C)CC)CC1 491703675 NXWYMLAGTYYKCA-ZFWWWQNUSA-N 309.410 -0.059 30 20 DBED COC[C@@H](NS(=O)(=O)c1ccc(C#N)cc1OC)C(=O)O 548214103 HEFAEFICGXMRJG-SECBINFHSA-N 314.319 -0.055 30 20 DBED Cc1cc(NC(=O)NCC(=O)NCC#N)ccc1-n1cnnn1 554105929 USYGPRSGTXWAAG-UHFFFAOYSA-N 314.309 -0.268 30 20 DBED CN(C)C[C@](C)(C#N)NC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O 577563676 KWISVTPDJUWNQN-GJZGRUSLSA-N 321.381 -0.333 30 20 DBED C=CCSCCNC(=O)C(=O)N[C@@H](C)[C@@H]1CN(C)CCO1 586813220 APZZALFCWBNEGP-RYUDHWBXSA-N 315.439 -0.143 30 20 DBED CS(=O)(=O)c1cccc(NC(=O)NCC(=O)NCC#N)c1 588231685 KMQTUKIEECUOLD-UHFFFAOYSA-N 310.335 -0.149 30 20 DBED C[C@H](CNC(=O)N1CCN(CCC#N)CC1)S(C)(=O)=O 601588752 MLFXUCIWOAWEDD-LLVKDONJSA-N 302.400 -0.340 30 20 DBED C[C@@H](CC#N)NCC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 602863539 NVUXYKLXEOGYFC-ZDUSSCGKSA-N 323.441 -0.063 30 20 DBED CCn1c(N)c(C(=O)CN2CC[C@@](F)(C#N)C2)c(O)nc1=O 682435562 YFVVIGMJYVQQPZ-CYBMUJFWSA-N 309.301 -0.329 30 20 DBED N#CCN(CC#N)C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 749603604 JCSCTTYAWVGHRD-UHFFFAOYSA-N 305.319 -0.640 30 20 DBED C#CCNC(=O)[C@@H](C)OC(=O)c1cnc2c(c1)NC(=O)CO2 771102295 MOQAJJIIBHLEBO-MRVPVSSYSA-N 303.274 -0.293 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N1CC[C@](C)(C(=O)NC)C1 797515138 NFMKIMHUCVXJPF-ZDUSSCGKSA-N 317.411 -0.245 30 20 DBED C#C[C@H](NC(=O)NCCS(=O)(=O)N(C)C)[C@@H]1CCCO1 811905946 NXLHUEGKIMGEQD-QWRGUYRKSA-N 303.384 -0.642 30 20 DBED Cn1cc(Br)c(C(=O)OCC(=O)NCC#N)n1 814602509 NDIJFTSCNPEYAU-UHFFFAOYSA-N 301.100 -0.021 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)c2nnc(C)s2)CC1 826550666 VJFVVQPOHGLZRZ-UHFFFAOYSA-N 321.406 -0.256 30 20 DBED C#CC1(O)CN(C(=O)c2cnn3c2C[C@@H](CNC(C)=O)CC3)C1 890525393 URBCTKCJIXGKNO-LBPRGKRZSA-N 316.361 -0.598 30 20 DBED Cn1cc(C(=O)NCC#CCO)c(I)n1 908028651 BZAJXEWQVGNYAP-UHFFFAOYSA-N 319.102 -0.250 30 20 DBED C#CCN1CCC[C@@H](NC(=O)CNS(=O)(=O)CCCC)C1 923566943 PHFSGPJENONQAA-CYBMUJFWSA-N 315.439 -0.080 30 20 DBED C#CCN1CCC[C@@H](NC(=O)Cn2nc3ccccn3c2=O)C1 923576857 VRDOSXFVCQNYBC-CYBMUJFWSA-N 313.361 -0.290 30 20 DBED C=CCN[C@@H]1CN(C(=O)CCn2cc[nH]c(=O)c2=O)C[C@H]1C 939326239 LOSFBCTZAVQSGU-VXGBXAGGSA-N 306.366 -0.451 30 20 DBED C[C@@H]1CN(CC#N)CC[C@@H]1NC(=O)CN1CC(=O)N(C)C1=O 944134336 CTJRYVMEJYEJGT-MNOVXSKESA-N 307.354 -0.769 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)[C@@H](C)C1 944810559 IUCDDTVYMHYOJT-QWHCGFSZSA-N 320.393 -0.270 30 20 DBED C=CCN1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)[C@@H](C)C1 945089326 FZTSXLLLFHAPMW-QWRGUYRKSA-N 306.370 -0.610 30 20 DBED C#Cc1cncc(C(=O)N(C)C2CN(C(=O)c3cnn(C)n3)C2)c1 955264289 YSXFHYXOTHHUOL-UHFFFAOYSA-N 324.344 -0.212 30 20 DBED CN1CCO[C@@H](C(=O)N[C@@]2(C)CCN(C(=O)C#CC3CC3)C2)C1 956793154 YCHJMCJHQOBRPK-PBHICJAKSA-N 319.405 -0.162 30 20 DBED Cn1cc(C(=O)NC[C@H]2CN(CC#N)C[C@H]2O)c(C(F)F)n1 958145720 QBJQLFJRVSPUOF-WCBMZHEXSA-N 313.308 -0.096 30 20 DBED C=CCN1C[C@H](CNC(=O)c2cc3n(n2)CCCO3)[C@@H](O)C1 958255454 YMMMNWHEIAMIDT-AAEUAGOBSA-N 306.366 -0.126 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2ccc3nc(O)[nH]c3c2)C1 958447730 JCROBYZVZKMVAL-RISCZKNCSA-N 314.345 -0.076 30 20 DBED C#CCCN1C[C@@H](O)[C@@H](CNC(=O)C2CCN(C(N)=O)CC2)C1 958657730 NFZQOYJKHVCUGD-UONOGXRCSA-N 322.409 -0.791 30 20 DBED CC#CCN1C[C@H](CNC(=O)C2CCN(C(C)=O)CC2)[C@@H](O)C1 958658285 XNQVXEFYXSGABX-HOTGVXAUSA-N 321.421 -0.323 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2ncc3n2CCCC3)C1 958716646 NOCGMUXJRROUIX-OCCSQVGLSA-N 302.378 -0.125 30 20 DBED C=CCN1CC[C@H](N2C[C@H]3C(NC(=O)c4ncc[nH]4)[C@@H]3C2)C1=O 958808896 QDTXJOIJTVDZEQ-UTUOFQBUSA-N 315.377 -0.143 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H]2CN(C(=O)c3cnnn3C)C[C@@H]21 960884794 UMFLOXOIWKTTMP-ADEWGFFLSA-N 318.337 -0.973 30 20 DBED C#CCNC1CC2(C1)CC(NC(=O)[C@@H]1CC(=O)NC(=O)N1)C2 965294966 HMZVNGQRQNPQPT-RUIJOYPPSA-N 304.350 -0.765 30 20 DBED CCN(C(=O)[C@@H]1CCNC1=O)C1CN(C(=O)C#CC2CC2)C1 968215598 RNIWEVMODGNFKD-CYBMUJFWSA-N 303.362 -0.405 30 20 DBED C[C@@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)[C@@]1(C)CNC(=O)C1)C2 969811405 MBPIKMSMDJDLEM-CENBSLRLSA-N 318.377 -0.126 30 20 DBED C=CCn1cc(C(=O)N2CC[C@@H](N[C@H]3CCCNC3=O)C2)nn1 970203661 FHWPOMOXPBEIAW-NEPJUHHUSA-N 318.381 -0.453 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)C[C@H]3CCC(=O)NC3)C2)C1 972408679 MGXOETLMTGRYQX-RHSMWYFYSA-N 319.405 -0.161 30 20 DBED Cc1cc(C)n(CC(=O)N2CC[C@@H](N(C)CC#N)C2)c(=O)n1 972626361 RBRGQYMZEDJSRW-CYBMUJFWSA-N 303.366 -0.084 30 20 DBED Cc1nonc1CC(=O)N[C@H]1[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]21 977105211 DRWHNFWFGVACCI-ATCWAGBWSA-N 314.345 -0.093 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2CN(CC(N)=O)CC2(C)C)nc1 977515708 REUBUKLJQWWMLH-ZDUSSCGKSA-N 300.362 -0.012 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]1CN(C)C(=O)c1cc(=O)n(C)cn1 977933293 YVPDOQBFFIOIKG-QWRGUYRKSA-N 317.349 -0.387 30 20 DBED C#CCN1C[C@@H]2C(CNC(=O)C3CC4(C3)CS(=O)(=O)C4)[C@H]2C1 978349051 FCDNLJJFFSJQNQ-ZIAGYGMSSA-N 322.430 -0.262 30 20 DBED C#CCN1C[C@H]2C(CNC(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)[C@@H]2C1 978534557 ZFCMAUPREGBZDM-YERCRUGSSA-N 304.390 -0.035 30 20 DBED C#CCN1C[C@@H]2C(CNC(=O)c3ccc(C(=O)NC)nc3)[C@H]2C1 978984583 IIYOJHOIXLNFCC-ZIAGYGMSSA-N 312.373 -0.018 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2C[C@@H](CNC(=O)c3nc[nH]n3)C2)[nH]1 979133211 NZRDIBQDZVKZMT-WAAGHKOSSA-N 313.321 -0.057 30 20 DBED N#CCN1CCCN(C(=O)CN2CCCS2(=O)=O)CC1 981283195 PGKNIDNRLJEEAB-UHFFFAOYSA-N 300.384 -0.920 30 20 DBED C#CCN[C@H]1CCC[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)C1 981456068 IARVIROBRYRJAE-NWDGAFQWSA-N 306.366 -0.469 30 20 DBED CN(C(=O)[C@H]1C[C@H]1C(N)=O)[C@H]1CCCN(C(=O)C#CC2CC2)C1 984184569 PUAPSWURPIOANK-MJBXVCDLSA-N 317.389 -0.029 30 20 DBED C#Cc1ccc(C(=O)N(C)[C@H]2CCCN(C(=O)C(N)=O)C2)nc1 984571510 HXOCHOZNLVXPHI-LBPRGKRZSA-N 314.345 -0.389 30 20 DBED C[C@@H]1[C@@H](NCC#N)CCN1C(=O)CCn1cc[nH]c(=O)c1=O 987192380 RGGJJTFLRSJVGV-MNOVXSKESA-N 305.338 -0.971 30 20 DBED C=CCN[C@@H]1C[C@H](C)N(C(=O)Cn2ccc(=O)n(C)c2=O)C1 988926081 FFGPCVTWCMLBRN-NWDGAFQWSA-N 306.366 -0.688 30 20 DBED C#Cc1ccc(C(=O)N2CC(NC(=O)Cc3ccnn3C)C2)cn1 991063706 WGZZJBNURKTRSO-UHFFFAOYSA-N 323.356 -0.020 30 20 DBED C#CCN1CCC(C(=O)NC2CN(C(=O)[C@@H]3CCOC3)C2)CC1 993851319 DNAZKYQWFUHPGI-CQSZACIVSA-N 319.405 -0.305 30 20 DBED CC(C)(C(=O)NC1CN(C(=O)C#CC2CC2)C1)N1CCOCC1 995799713 JEAXDFIINUMQEN-UHFFFAOYSA-N 319.405 -0.162 30 20 DBED C=CCN1CC[C@H](NC2CCN(C(=O)c3cnn[nH]3)CC2)C1=O 996752207 NWCBRPGDGITDBV-LBPRGKRZSA-N 318.381 -0.214 30 20 DBED C#CCN1CCC(CNC(=O)c2cc(=O)n3[nH]cnc3n2)CC1 1002045065 KASYGUKYBYNGAK-UHFFFAOYSA-N 314.349 -0.507 30 20 DBED CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NCC1CN(C(=O)C#CC2CC2)C1 1004451387 KLVHKEUWTBJTMZ-UONOGXRCSA-N 317.389 -0.301 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCN(Cc3cnon3)C2)nn1 1015811098 ZGOFVVATDHZCHE-SNVBAGLBSA-N 303.326 -0.149 30 20 DBED C#CCN1[C@H]2CC[C@H]1CC(NC(=O)Cn1ccc(O)nc1=O)C2 1021315312 MRPZZEHBPIKDDG-STQMWFEESA-N 316.361 -0.306 30 20 DBED C=CCN[C@@H]1CC[C@@H]2CN(C(=O)Cn3c(O)nnc3O)C[C@@H]21 1026407675 RQFFLIZPROQGAW-OUAUKWLOSA-N 307.354 -0.298 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NC1CN(CCN2CCNC2=O)C1 1030331694 NRVCUMSDTRMFFB-KGLIPLIRSA-N 322.409 -0.207 30 20 DBED C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)CC[C@H]1NC(=O)NC1=O 1032769999 FGHHYRXGGGKVIJ-SDDRHHMPSA-N 306.366 -0.164 30 20 DBED Cc1nc(O)c(C(=O)NC[C@@H]2CN(CC#N)CCO2)nc1C 1035415199 LGZYUFLFUCQZFE-LLVKDONJSA-N 305.338 -0.247 30 20 DBED CC#CCN1CCO[C@@H](CNC(=O)c2ccc(C(N)=O)o2)C1 1035441985 NHXDDIURAKMQND-NSHDSACASA-N 305.334 -0.168 30 20 DBED C#CCN1CCO[C@H](CNC(=O)[C@@H]2CCc3nc(C)nn3C2)C1 1035453989 HQIUOKWPKOAECK-ZIAGYGMSSA-N 317.393 -0.401 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)C2CC2)C1 1035541794 KPHMNUOBFSYTFV-GJZGRUSLSA-N 319.405 -0.162 30 20 DBED C=CCN1CCO[C@@H](CNC(=O)[C@H]2CN(C(C)=O)CCO2)C1 1035593777 ZYMNCYCRUDKTRT-UONOGXRCSA-N 311.382 -0.763 30 20 DBED N#CCN1CC[C@@H]2CN(C(=O)CC3CS(=O)(=O)C3)CC[C@H]21 1036753955 YOWNUCZBQZZLNS-CHWSQXEVSA-N 311.407 -0.133 30 20 DBED N#CCN1CC[C@H]2CN(C(=O)CC3CS(=O)(=O)C3)CC[C@@H]21 1036753958 YOWNUCZBQZZLNS-STQMWFEESA-N 311.407 -0.133 30 20 DBED C#CCCN1CC[C@H]2CN(C(=O)CN3CC(=O)NC3=O)CC[C@@H]21 1036843174 BCNHQHSVCWOFGS-STQMWFEESA-N 318.377 -0.516 30 20 DBED C#CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)CN1CCCCS1(=O)=O 1037509110 NOLAXCWRWMYYPM-DYEKYZERSA-N 311.407 -0.766 30 20 DBED CCn1nncc1C(=O)NC[C@]1(O)CCN(C(=O)[C@H](C)C#N)C1 1039642860 NFAUVPMFWCYBTR-QMTHXVAHSA-N 320.353 -0.849 30 20 DBED Cc1cc(C#N)nc(N[C@@H]2C[C@@H](NC(=O)C(N)=O)C23CCC3)n1 1041610892 LGUOFPPKRBFLKH-GHMZBOCLSA-N 314.349 -0.019 30 20 DBED CC(C)COCCC(=O)NCC1(O)CN(C(=O)[C@H](C)C#N)C1 1041637418 NFHHBBXGTNURGA-GFCCVEGCSA-N 311.382 -0.102 30 20 DBED CC#CCN1CC(N(C)C(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 1042719229 KHVWQHNNYRQVFR-LBPRGKRZSA-N 315.377 -0.072 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)[C@H]2CCCC(=O)N2)C1 1042801706 QXXPKISHAVDUNH-GFCCVEGCSA-N 321.377 -0.852 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)Cc2ccc[nH]2)C1 1043288811 ICBFCIVEBAOVFD-GFCCVEGCSA-N 319.361 -0.715 30 20 DBED C=C(C)CCC(=O)NCC1(O)CN(C(=O)c2cn(C)c(O)n2)C1 1043315681 RMDKIBBOOZMUSA-UHFFFAOYSA-N 322.365 -0.215 30 20 DBED CCc1c(C(=O)NCC2(O)CN(C(=O)[C@@H](C)C#N)C2)cnn1C 1043818507 NDAVULIVVNZQJN-JTQLQIEISA-N 319.365 -0.555 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)Cc2[nH]cnc2C)C1 1044320139 XTWABRTXRHNCRD-UHFFFAOYSA-N 318.377 -0.246 30 20 DBED CC#CCCCC(=O)NCC1(O)CN(C(=O)CN2CCCC2)C1 1045003649 ZZDAQATWJUWVFU-UHFFFAOYSA-N 321.421 -0.035 30 20 DBED COCc1cc(C(=O)N2CC(O)(CNC(=O)[C@H](C)C#N)C2)no1 1045554493 FHTRZKXTJYGNOA-SECBINFHSA-N 322.321 -0.716 30 20 DBED N#CCN1CC[C@H](N2CCN(C(=O)c3cc[n+]([O-])cc3)CC2)C1 1045999184 GBXOBEBHEAUATO-HNNXBMFYSA-N 315.377 -0.324 30 20 DBED C#CCN1CC[C@@H](N2CCN(C(=O)c3cnc(O)n3C)CC2)C1 1046049714 WIXOUPMISXKJLQ-CYBMUJFWSA-N 317.393 -0.409 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1C[C@@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 1046562638 VAKZVQYIXWYFBT-NDMJEZRESA-N 314.349 -0.637 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)Cc2nc[nH]n2)C1 1046908902 ASRQVSBXDZEABY-UHFFFAOYSA-N 307.354 -0.751 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CN(C(C)C)CCO2)C1 1047499808 SBMFBDLQVBSSCO-SOUVJXGZSA-N 311.426 -0.215 30 20 DBED N#CCN1C[C@H]2CN(C(=O)[C@]34C[C@H]5C[C@H](C(=O)N3)[C@H]4C5)C[C@H]2C1 1048902259 BADJCCFZBGLPRA-WJJPPHRQSA-N 314.389 -0.185 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cc[nH]c2)C1 1048958233 VHIXQJHEAQZECO-STQMWFEESA-N 307.350 -0.139 30 20 DBED C=CCOCC(=O)N[C@H](C)[C@H]1CCN(C(=O)c2nnn(C)n2)C1 1051342396 RKURDXMVWODOOJ-MNOVXSKESA-N 322.369 -0.621 30 20 DBED N#Cc1cnc(N2CC[C@@H](NC(=O)c3cn[nH]c3)[C@@H](O)C2)cn1 1051625842 FPGKLFBEGQIBPS-NEPJUHHUSA-N 313.321 -0.559 30 20 DBED C#CCN1CCN([C@@H]2CCN(C(=O)[C@H]3CCN(C)C3=O)C2)CC1 1052066695 XSIAFTJQLSFZTG-CABCVRRESA-N 318.421 -0.684 30 20 DBED CC#CCN1CCN([C@H]2CCN(C(=O)C3(C(N)=O)CC3)C2)CC1 1052073809 PFKFXYBBFJFCBZ-AWEZNQCLSA-N 318.421 -0.506 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H](CNC(=O)CCOC)[C@@H](C)C1 1052398859 YEGZWWVJPRKIAE-STQMWFEESA-N 323.393 -0.627 30 20 DBED C=CCN1CC2(C1)CN(C(=O)Cn1ccc(O)nc1=O)CCO2 1053330711 VOYAZOHIMBYILQ-UHFFFAOYSA-N 320.349 -0.952 30 20 DBED CN1CCCC[C@H](C(=O)N2CCOC3(CN(CC#N)C3)C2)C1=O 1053506789 QHCMDDZIEKLDDK-ZDUSSCGKSA-N 320.393 -0.318 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)[C@H]3COCCN3C)CO2)C1 1053782331 NBCWLYWCHYOWIU-ZIAGYGMSSA-N 307.394 -0.700 30 20 DBED C#CCN1CC[C@@]2(CCCN(C(=O)CN3CC(=O)NC3=O)C2)C1 1054214657 CSVLTBRJVOGZTG-INIZCTEOSA-N 318.377 -0.514 30 20 DBED N#Cc1nccnc1N1CCN(C(=O)c2nccnc2N)CC1 1055753322 HUPJNUAZXZKYLO-UHFFFAOYSA-N 310.321 -0.317 30 20 DBED CCN(CC)CC(=O)N1CCC[C@](CO)(NC(=O)[C@@H](C)C#N)C1 1056096352 HIFHFMDBZIOIEE-BBRMVZONSA-N 324.425 -0.042 30 20 DBED N#Cc1cncc(N2C[C@H]3[C@H](NC(=O)Cc4cc[nH]n4)[C@H]3C2)n1 1056164217 UQNRVFYTVDIKJB-JYAVWHMHSA-N 309.333 -0.135 30 20 DBED Cc1nn[nH]c1C(=O)NC1[C@H]2CN(c3ccc(C#N)nn3)C[C@H]12 1056363119 WSYKWVUCXOENGC-UWVGGRQHSA-N 310.321 -0.361 30 20 DBED C#CCO[C@H](C)C(=O)NCCN(CCO)C(=O)[C@H](CC)OC 1057156604 GCYKFIUCPUQBAB-OLZOCXBDSA-N 314.382 -0.613 30 20 DBED N#Cc1cnc(NC2CCN(C(=O)[C@H]3CNC(=O)N3)CC2)cn1 1057409054 MOPXQPHGYZAAKH-LLVKDONJSA-N 315.337 -0.567 30 20 DBED C=CC(C)(C)C(=O)NCCN(CCO)C(=O)[C@H](C)NC(N)=O 1057424957 MTMDTAYWJCPPMM-JTQLQIEISA-N 314.386 -0.808 30 20 DBED C#CCOCCC(=O)N(CCO)CCNC(=O)c1conc1C 1057580229 ZRYDIIUEWJSQKK-UHFFFAOYSA-N 323.349 -0.426 30 20 DBED C=CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)[C@H]1CCOC1 1057921670 MZJKDMPTAXREEF-STQMWFEESA-N 314.382 -0.449 30 20 DBED N#Cc1nccnc1N1CC[C@@H](NC(=O)[C@H]2CCNC2=O)C1 1058507757 MFNRYNGRJPPHGZ-ZJUUUORDSA-N 300.322 -0.821 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)c1cnn2cc[nH]c12 1058655285 VMLUKJROPWBQES-JTQLQIEISA-N 318.337 -0.627 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)c1csc(O)n1 1058663182 KEENPVRGOCTVEM-MRVPVSSYSA-N 312.351 -0.441 30 20 DBED CC(C)C#CC(=O)NCC[C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 1060258336 DFHUYKFCXQUNMZ-STQMWFEESA-N 320.393 -0.318 30 20 DBED C=CCCC(=O)N1CCOC[C@@H]1CNC(=O)CN(C)C(C)=O 1061322397 CTGKYWDEGYCJSS-ZDUSSCGKSA-N 311.382 -0.226 30 20 DBED C=CCCC(=O)NC1(CNC(=O)CS(=O)(=O)NC)CCC1 1063127641 UCBKKUONIQQIMY-UHFFFAOYSA-N 317.411 -0.343 30 20 DBED Cn1cnc(C(=O)N[C@H]2[C@H]3C[C@H]2N(c2ccc(C#N)nn2)C3)n1 1064241862 IENUAUTYQGFMFZ-XRNSZHNASA-N 310.321 -0.516 30 20 DBED Cc1cc(C#N)nc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)Cc2nc[nH]n2)n1 1064294383 PDGUGCYIRFTPGO-PUYPPJJSSA-N 324.348 -0.289 30 20 DBED C#CCNC(=O)CC(=O)NC1(CNC(=O)[C@@H](C)C#N)CCC1 1064302584 OJFUWMPLWJUYEU-NSHDSACASA-N 304.350 -0.559 30 20 DBED C#CCOCCC(=O)NC[C@H]1CN(C(=O)[C@@H]2CCOC2)CCO1 1064935449 RPCMZSRZIXSOJN-KGLIPLIRSA-N 324.377 -0.594 30 20 DBED C=CCOCC(=O)N1CCO[C@@H](CNC(=O)c2[nH]nnc2C)C1 1064973915 HQDCELHFMNCJNE-NSHDSACASA-N 323.353 -0.727 30 20 DBED CC(C)C#CC(=O)N1CCO[C@H](CNC(=O)[C@@H]2CCN(C)C2)C1 1065132362 DANYCCSEBCICRV-HUUCEWRRSA-N 321.421 -0.059 30 20 DBED Cn1cnc(C(=O)N[C@@]2(C)CCN(c3ccnc(C#N)n3)C2)n1 1065249629 YBRFKVPETKPZDR-AWEZNQCLSA-N 312.337 -0.124 30 20 DBED C=CCOCC(=O)N(C)CCCN(C)C(=O)c1cn(C)nn1 1066999357 XAAMLSRXYTUWKC-UHFFFAOYSA-N 309.370 -0.062 30 20 DBED C=CCOCC(=O)N1CC2(C1)CN(C(=O)[C@H]1CCOC1)CCO2 1068332448 CNVYSIPHBZIYDT-ZDUSSCGKSA-N 324.377 -0.335 30 20 DBED COCC(=O)NC[C@H]1CCC2(CN(C(=O)C#CC3CC3)C2)O1 1068491395 MQSWTYKMWWKNNG-CYBMUJFWSA-N 306.362 -0.078 30 20 DBED Cc1ncc(C(=O)N2CC3(C[C@H](NC(=O)[C@@H](C)C#N)CO3)C2)[nH]1 1069003770 PLSMCJBQVYPGIN-ONGXEEELSA-N 317.349 -0.023 30 20 DBED C[C@@H]1C[C@@H](N=c2cc[nH]c(C#N)n2)CN1C(=O)c1nnn(C)n1 1069177913 HPHSUPXQFOBZPX-RKDXNWHRSA-N 313.325 -0.991 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)C2(F)CCOCC2)C1 1069944525 UOHMBNXMXSSDTD-OLZOCXBDSA-N 321.356 -0.229 30 20 DBED C#CCN[C@@H]1CCO[C@H]1C1CCN(C(=O)Cn2cnnn2)CC1 1071036236 DMSMVULXUNGACZ-HIFRSBDPSA-N 318.381 -0.708 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CCCN(C(=O)[C@]2(C)CCC(=O)N2)C1 1071277826 IERWHXHOITVSAT-HFAKWTLXSA-N 306.366 -0.078 30 20 DBED C#CCCN1C[C@@H](NC(=O)Cn2ncn(C)c2=O)CC[C@@H]1C 1071626422 VTIZEECXDWRJMH-STQMWFEESA-N 305.382 -0.426 30 20 DBED C[C@@H]1CC[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)CN1CC#N 1071860239 HEEYOAJFBLZCJP-GHMZBOCLSA-N 319.365 -0.810 30 20 DBED C[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)CNC(=O)C1CC1 1072048467 LKCIFRVDJIWESW-SMDDNHRTSA-N 317.389 -0.111 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CN(C(=O)c2cnco2)C[C@@H]1C 1072450509 MIANGJHAYVQGEO-QWRGUYRKSA-N 318.333 -0.609 30 20 DBED C[C@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1NC(=O)CSCC#N 1072543194 JFACCHIQBHCVNG-DTWKUNHWSA-N 323.382 -0.956 30 20 DBED C#CCOCCC(=O)N[C@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1C 1072632381 LRKFZZLKHYGNBW-NEPJUHHUSA-N 321.377 -0.745 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC2(CCN(C[C@@H](C)O)C2)C1 1072822400 FKAXJSQESZUCFW-CABCVRRESA-N 305.422 -0.001 30 20 DBED C=CCN1CCO[C@@H]2CCN(C(=O)CCn3cnnn3)C[C@@H]21 1074365803 KDKMITKBKJIDPU-QWHCGFSZSA-N 306.370 -0.449 30 20 DBED CCn1cc(C(=O)N2CC[C@@H]3OCCN(CC#N)[C@H]3C2)nn1 1074372165 SJTLQFZYSFQSPA-STQMWFEESA-N 304.354 -0.263 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)COCCC 1075841544 UVJVNHYNXNINJQ-LBPRGKRZSA-N 311.382 -0.437 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)[C@@H]1CCCN1C 1076218956 MYTPHOAGTUFTOB-STQMWFEESA-N 322.409 -0.769 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)[C@@H]1CC12CC2 1076219844 DOGDQSPLQSKSJK-RYUDHWBXSA-N 305.378 -0.063 30 20 DBED C#CCOCCC(=O)N[C@@H](C)CCNC(=O)[C@@H]1CCCNC1=O 1076975723 RYCMPOXRGVTRCC-QWHCGFSZSA-N 323.393 -0.437 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2ccnn2CC(F)(F)F)C1 1077184912 AEQKFZIKOKVLCA-PSASIEDQSA-N 317.271 -0.256 30 20 DBED CC(C)Cn1[nH]c(CC(=O)N[C@@H]2CN(CC#N)C[C@H]2O)cc1=O 1077320552 HWAORIRTSQWNJN-CHWSQXEVSA-N 321.381 -0.940 30 20 DBED C#Cc1ccc(C(=O)NCC[C@H](C)NC(=O)CC(N)=O)cn1 1077632529 UKIARYXMPACUIN-JTQLQIEISA-N 302.334 -0.437 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)C(=O)N2CCC[C@H](C)C2)C1 1077788995 XIVZPJNKPZQKKJ-BFHYXJOUSA-N 307.394 -0.571 30 20 DBED C=CCOCC(=O)N(CC)C1CN(C(=O)[C@@H]2COCCO2)C1 1079490156 CMGBXSHCDOVVIR-ZDUSSCGKSA-N 312.366 -0.336 30 20 DBED CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 1080417218 YDXJOMDJAOQBID-RTXFEEFZSA-N 320.393 -0.070 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cocn2)C1 1081341418 POTGZZFESYEBIY-YPMHNXCESA-N 305.334 -0.117 30 20 DBED C=CCC1(C(=O)N2C[C@H](O)[C@H](CNC(=O)CC(N)=O)C2)CCC1 1081368888 ULGTVPCOQQBGMV-NEPJUHHUSA-N 323.393 -0.456 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)CCOCC#C)C[C@H]1O 1081442786 YMXXWBGKGVZVAY-LSDHHAIUSA-N 320.389 -0.235 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2cc[nH]c2)C1 1081539224 KRTUMRIPBFEBIH-CHWSQXEVSA-N 307.350 -0.234 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@H](CNC(=O)Cc2ncc[nH]2)C1 1081693115 OGWXQTNGDAOMDA-OLZOCXBDSA-N 318.377 -0.309 30 20 DBED C=CCCOCC(=O)N1CCCC[C@H]1CNC(=O)CC(N)=O 1082135838 VUHPQPWWZHOJDU-LBPRGKRZSA-N 311.382 -0.048 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(CC(=O)NC)C[C@H]2OC)cn1 1082333307 ALDKWJDYLZUGGM-ZIAGYGMSSA-N 316.361 -0.762 30 20 DBED CC#CCN1C[C@@H](NC(=O)c2cccnc2C(N)=O)[C@H](OC)C1 1082381535 PNTFGCYQPBAVGV-CHWSQXEVSA-N 316.361 -0.367 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)c2ccoc2CC(N)=O)C1 1083731656 ILOJULMIONVLBK-NEPJUHHUSA-N 307.350 -0.342 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCCc3nn[nH]c32)C1 1083734022 OAZAKFXPFAQVBB-RTXFEEFZSA-N 303.366 -0.591 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)CN3CCCS3(=O)=O)[C@@H]2C1 1084388836 HNMZURBJRRGBSB-CHWSQXEVSA-N 311.407 -0.812 30 20 DBED CC1(C)C[C@H](NC(=O)CN2CCNC(=O)C2)CCN(CC#N)C1 1089456477 IRJGIRBSFJVBKN-CYBMUJFWSA-N 321.425 -0.451 30 20 DBED C#CCN1CC[C@H](NC(=O)Cc2cn3c(n2)CCCC3)[C@@H](O)C1 1090279507 MDYBLVODVJPEFF-GJZGRUSLSA-N 316.405 -0.054 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2ccn(CCOC)n2)[C@H](O)C1 1090419822 CRKSNNNXLIYUMN-DZGCQCFKSA-N 320.393 -0.282 30 20 DBED COc1ccnc(OC)c1C(=O)N[C@@H]1CCN(CC#N)C[C@@H]1O 1090422238 IPFDUHSPNFNQII-MNOVXSKESA-N 320.349 -0.213 30 20 DBED C[C@H](CC(N)=O)C(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1O 1090512785 MPMMINKOHSYRJE-OASPWFOLSA-N 317.349 -0.870 30 20 DBED N#Cc1ccccc1CN1CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C1 1090534851 QQAYEFRUANQYOK-OLZOCXBDSA-N 302.334 -0.905 30 20 DBED CC(=O)N[C@H](C)C(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1C 1090649350 KMUCKBCOGGSBCA-GIPNMCIBSA-N 316.365 -0.186 30 20 DBED C=CCN1CC[C@@H](NC(=O)c2ccc(C(N)=O)cn2)[C@@H](O)C1 1090842733 DQRJQIJMVTUGQZ-YPMHNXCESA-N 304.350 -0.469 30 20 DBED CC(C)OCC(=O)N[C@@H]1CCN(c2ccc(C#N)nn2)C[C@H]1O 1092143829 UYVAJFIGGFCLDB-CHWSQXEVSA-N 319.365 -0.171 30 20 DBED C[C@@H]1CN(c2ccc3nnnn3n2)C[C@H]1CNC(=O)[C@H](C)C#N 1092335974 BHGMXQSPEWOVHW-GMTAPVOTSA-N 314.353 -0.133 30 20 DBED Cc1cc(=NCCNC(=O)[C@@H]2CC[C@@H]2C(N)=O)c(C#N)c[nH]1 1094035217 WPOFGIWIMCAWHX-NWDGAFQWSA-N 301.350 -0.277 30 20 DBED COCC(=O)N[C@H](C)C(=O)NCCNc1ccc(C#N)nn1 1094185764 WDXNPYTUVAYFNV-SECBINFHSA-N 306.326 -0.973 30 20 DBED C=CCN1CC(n2cc(CNC(=O)[C@@H]3COCCN3C)nn2)C1 1094285180 DEKIIKFITYMYKX-AWEZNQCLSA-N 320.397 -0.732 30 20 DBED C[C@@H]1[C@H](C(=O)NCc2cn(C3CN(CC#N)C3)nn2)CCN1C 1094293393 MPTWDPGJRVGGHS-BXUZGUMPSA-N 317.397 -0.385 30 20 DBED N#Cc1nccnc1NCCCNC(=O)[C@H]1CC[C@@H]1C(N)=O 1094703926 RTRJBGLABAMCMU-UWVGGRQHSA-N 302.338 -0.222 30 20 DBED CC(=O)N(C)CC(=O)NCCCN(C)c1nccnc1C#N 1095473220 MJILFSPHFKVHAR-UHFFFAOYSA-N 304.354 -0.231 30 20 DBED CN(CCCNC(=O)[C@@]1(C)CNC(=O)C1)c1ccnc(C#N)n1 1095682127 VCDPPXJCKFVIHQ-OAHLLOKOSA-N 316.365 -0.183 30 20 DBED COC[C@H](OC)C(=O)NCCCN(C)c1ccc(C#N)nn1 1095733788 MKVNDXADFLKCNF-LBPRGKRZSA-N 307.354 -0.048 30 20 DBED CNC(=O)NCC(=O)N[C@@H]1CCN(c2nc(C)ccc2C#N)C1 1096493508 UGHSNOSEXCNTAM-GFCCVEGCSA-N 316.365 -0.114 30 20 DBED Cc1cc(=N[C@@H](C)CNC(=O)CCNC(N)=O)c(C#N)c[nH]1 1097855846 WKKSJYWSPXFRIA-JTQLQIEISA-N 304.354 -0.341 30 20 DBED C[C@H](CNC(=O)c1cc(=O)n(C)cn1)Nc1nccnc1C#N 1098362485 DEYNYZZLUCIFSY-SECBINFHSA-N 313.321 -0.328 30 20 DBED C=C(C)CNCc1cn([C@H]2CCN(C(=O)CNC(C)=O)C2)nn1 1098600911 IHYJDHWLUSHHCH-AWEZNQCLSA-N 320.397 -0.147 30 20 DBED C#CCNCc1cn([C@H]2CCN(C(=O)CCOCC#C)C2)nn1 1098673193 NHDSFPCEQIFABV-HNNXBMFYSA-N 315.377 -0.186 30 20 DBED CC#CCCCC(=O)N[C@H]1CCN(CC(=O)NCC)C[C@@H]1O 1099962226 LPOIUWYDVJAQNA-KBPBESRZSA-N 309.410 -0.133 30 20 DBED CC#CCN1CC[C@@H](NC(=O)C(=O)Nc2cc(C)on2)[C@@H](O)C1 1100110256 SKWGIKKVXFJKLI-NEPJUHHUSA-N 320.349 -0.504 30 20 DBED C[C@H]1C[C@H](C(=O)NCCN(C)c2cnc(C#N)cn2)CC(=O)N1 1100211480 ORFUCMUIGALGOK-QWRGUYRKSA-N 316.365 -0.185 30 20 DBED CN(CCNC(=O)c1cn(C)c(O)n1)c1ccnc(C#N)n1 1100301943 JCHFUKBSNAYGIW-UHFFFAOYSA-N 301.310 -0.346 30 20 DBED CCN(CCNC(=O)Cn1cnnc1O)c1nccnc1C#N 1100497916 LEKQVIVUTIFOJH-UHFFFAOYSA-N 316.325 -0.712 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCN(CC)c1nccn2nnnc12 1100503978 DWVKNSGFXFMQKG-CQSZACIVSA-N 319.369 -0.211 30 20 DBED CCN(CCNC(=O)C[C@H]1CCNC1=O)c1ccnc(C#N)n1 1100635181 FFLMXVDTPMTWLL-LLVKDONJSA-N 316.365 -0.183 30 20 DBED CCN(CCNC(=O)[C@H]1CCCC(=O)N1)c1cnc(C#N)cn1 1100642420 WWGOMVSDZCFYRB-GFCCVEGCSA-N 316.365 -0.041 30 20 DBED CCN(CCNC(=O)[C@]1(C)CCC(=O)N1)c1ccc(C#N)nn1 1100709566 GUVXARJUWGKCFT-HNNXBMFYSA-N 316.365 -0.041 30 20 DBED C=CCCNC1CC(CNC(=O)CN2C(=O)C(=O)N(C)C2=O)C1 1100728069 OWQGWMJALAZQKF-UHFFFAOYSA-N 322.365 -0.533 30 20 DBED CN(CCNc1cncc(C#N)n1)C(=O)[C@@H]1COCCN1C 1101563983 AZBARZZFJKMTMO-LBPRGKRZSA-N 304.354 -0.451 30 20 DBED CC(C)C[C@H](C(N)=O)C(=O)N(C)CCN=c1cc[nH]c(C#N)n1 1101672038 SHUVSFXJDKYIDP-LLVKDONJSA-N 318.381 -0.212 30 20 DBED CCN(C(=O)CC(=O)NC)[C@H]1CCN(c2cncc(C#N)n2)C1 1102796191 QWRBHQVPBUMPBH-LBPRGKRZSA-N 316.365 -0.088 30 20 DBED CC[C@H](CNC(=O)C1CS(=O)(=O)C1)N=c1cc[nH]cc1C#N 1103200234 SGVXTWXYLSSYRW-GFCCVEGCSA-N 322.390 -0.274 30 20 DBED C[C@@](CNc1cncc(C#N)n1)(NC(=O)CC(N)=O)C1CC1 1103506529 BJWRBUYKYXIHRY-AWEZNQCLSA-N 302.338 -0.080 30 20 DBED Cc1cc(C#N)nc(NC[C@H](C)CNC(=O)[C@@H]2CNC(=O)N2)n1 1104183422 HOIIQEKMXZQDMP-KCJUWKMLSA-N 317.353 -0.498 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)[C@@H]1COCCN1C 1104526663 GAMCOVIGAIQJIH-RYUDHWBXSA-N 318.381 -0.640 30 20 DBED CC#CCNCC[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@H]1C 1104803361 SLXOVJYGECQXTH-CHWSQXEVSA-N 320.393 -0.364 30 20 DBED N#CCNCc1cn(C2CN(C(=O)[C@@H]3C[C@H]4CC[C@H]3O4)C2)nn1 1105194646 BVONSAWBVXRALN-MGPQQGTHSA-N 316.365 -0.158 30 20 DBED C#CCNCc1cn(C2CN(C(=O)[C@@H]3C[C@]34CCOC4)C2)nn1 1105357883 MKTDBFARNYEUGY-HOCLYGCPSA-N 315.377 -0.189 30 20 DBED CC(=O)NCC(=O)NC[C@H](O)CNc1snc(C)c1C#N 1105711984 PTLXGWBQPPVBPW-VIFPVBQESA-N 311.367 -0.652 30 20 DBED Cc1cc(=NC[C@@H](O)CNC(=O)c2ccon2)c(C#N)c[nH]1 1105726173 ZVJQFDGIZQHNLL-LLVKDONJSA-N 301.306 -0.126 30 20 DBED C[C@@H]1CN(C(=O)[C@@H]2CCCO2)C[C@H]1CNCC(=O)NCC#N 1105796355 OJBSETHHPYGENK-UPJWGTAASA-N 308.382 -0.511 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)CO[C@@H]2CCOC2)nn1 1105972173 DJPYVATXHUSQHL-VXGBXAGGSA-N 321.337 -0.957 30 20 DBED C[C@@]1(C(=O)NC[C@H](O)CNc2ccc(C#N)nc2)CCC(=O)N1 1106084094 ZIXBHUFSMGKUSH-DOMZBBRYSA-N 317.349 -0.489 30 20 DBED Cc1nnccc1C(=O)NC[C@H](O)CNc1cncc(C#N)n1 1106173395 QNQXKZVQUGMNOM-LLVKDONJSA-N 313.321 -0.351 30 20 DBED CCc1nc(C#N)cc(NCC[C@@H](C)NC(=O)CNC(N)=O)n1 1106195873 DZULYKAQXZOLSR-SECBINFHSA-N 319.369 -0.114 30 20 DBED CNC(=O)NCC(=O)N[C@H](C)CCNc1ccc(C#N)nn1 1106615768 IOVUJGDNRAXASK-SECBINFHSA-N 305.342 -0.416 30 20 DBED N#Cc1nc(=NC/C=C/CNC(=O)CN2CCCC2=O)cc[nH]1 1107027286 NCCYBQGQSMWAHG-OWOJBTEDSA-N 314.349 -0.523 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)CNC(=O)c2ccoc2)C1 1107962682 KKBQZBRGGVBHDX-INIZCTEOSA-N 319.361 -0.150 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)[C@@H]2CCN(C)C(=O)C2)C1 1108031663 CMLXIRBIKOIOOW-CZUORRHYSA-N 307.394 -0.305 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)CN2CCCNC2=O)C1 1108049124 INBAJPRKSNFQNX-HNNXBMFYSA-N 308.382 -0.758 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)c2cc(=O)c(OC)c[nH]2)C1 1108073923 XKEQQIYQOLMEHO-MRXNPFEDSA-N 319.361 -0.163 30 20 DBED Cc1nc(N(C)C[C@H](C)NC(=O)CNC(N)=O)ccc1C#N 1108816322 NREFPPRNNQJGPY-VIFPVBQESA-N 304.354 -0.129 30 20 DBED CCNC(=O)CC(=O)N[C@@H](C)CN(C)c1ccc(C#N)nn1 1108944338 AOULIHIMOADJGC-JTQLQIEISA-N 304.354 -0.185 30 20 DBED C[C@@H](CN(C)c1cnc(C#N)cn1)NC(=O)C[C@@H]1CCNC1=O 1109114590 MHPJWONWMYFGSX-QWRGUYRKSA-N 316.365 -0.185 30 20 DBED C[C@H](CC(=O)NCC1(Nc2cnc(C#N)cn2)CC1)NC(N)=O 1110237169 CXPSPLDLUUCJIM-SECBINFHSA-N 317.353 -0.144 30 20 DBED C[C@@H](C(=O)NCC1(Nc2ccnc(C#N)n2)CC1)S(C)(=O)=O 1110390835 GICINFZOZORUAM-VIFPVBQESA-N 323.378 -0.158 30 20 DBED CN(C)CCC(=O)N(C)[C@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1111197867 VTHNDXXDFQRUKN-RYUDHWBXSA-N 318.381 -0.692 30 20 DBED CCN1C[C@@H](C(=O)N2CCN(CC#CCOC)CC2)CC1=O 1112908666 CRMCINCDJBKWTO-AWEZNQCLSA-N 307.394 -0.351 30 20 DBED CNC(=O)NCC(=O)N[C@@H](C)[C@H](C)Nc1nc(C)cc(C#N)n1 1113350506 UYQSVKITUALZAU-UWVGGRQHSA-N 319.369 -0.109 30 20 DBED COCC#CCN1CCN(C(=O)C(C)(C)S(C)(=O)=O)CC1 1113396804 SLMAFSKFGNPVSM-UHFFFAOYSA-N 316.423 -0.396 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CN(c2ccnc(C#N)n2)CC[C@@H]1C 1113994025 ICKQOLAUDILSKI-CMPLNLGQSA-N 316.365 -0.185 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)c3cscn3)[C@@H]2C1 1114012020 ASRJFPZMKSTWCX-NXEZZACHSA-N 304.375 -0.448 30 20 DBED CC(C)C#CC(=O)NC1[C@H]2CN(Cc3nc(=O)n(C)[nH]3)C[C@H]12 1114237361 KZZRJGVWKVBACH-QWRGUYRKSA-N 303.366 -0.686 30 20 DBED C=CCN1C[C@H]2[C@H](NC(=O)[C@@H](C)NS(=O)(=O)CC)[C@H]2C1 1114311578 PUQWUOGKVUQPHR-WYUUTHIRSA-N 301.412 -0.453 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)C3(CC#C)CCC3)[C@H]2C1 1114397377 MBGPAJGBZYQKJW-KBPBESRZSA-N 313.401 -0.024 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)c3cncn3C)[C@H]2C1 1114523802 IOORLDNUXXYAOH-SRVKXCTJSA-N 315.377 -0.782 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)C3(COC)CC3)[C@@H]2C1 1114561486 WJOYMGLKDCWRSB-VXGBXAGGSA-N 307.394 -0.238 30 20 DBED CS(=O)(=O)c1ccc(S(=O)(=O)N(CC#N)CC#N)cn1 1116876976 IGKLKAUQVVEKFK-UHFFFAOYSA-N 314.348 -0.477 30 20 DBED CC(C)(C)NC(=O)CCNC(=O)C(=O)N1CC[C@@](F)(C#N)C1 1117262242 QVSDSZWEZQOECN-CQSZACIVSA-N 312.345 -0.128 30 20 DBED C#CCOCCNC(=O)C(=O)N[C@@H]1C[C@@H](OCC)[C@@]12CCCO2 1117394909 GBYPBWWNTLQBDQ-XJKCOSOUSA-N 324.377 -0.405 30 20 DBED C#CCN(C)CCCNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1117734714 GEXLOPWWPURCMY-UHFFFAOYSA-N 306.322 -0.172 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N[C@@H](C)c2cnn(C)c2)nn1 1118175169 URDRMXBWUSWXQM-JTQLQIEISA-N 317.353 -0.309 30 20 DBED Cn1cc(C(=O)NC[C@H](CO)Nc2ncccc2C#N)cn1 1121025474 RSGXODGXFVTFIQ-GFCCVEGCSA-N 300.322 -0.110 30 20 DBED COC(=O)c1cnc(N[C@@H](CO)CNC(=O)[C@@H](C)C#N)nc1 1121212540 GRESZDUNWHNOLP-WCBMZHEXSA-N 307.310 -0.688 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H](CO)Nc1ccc(C#N)nn1 1122037648 YBRRCJFWGMMNFY-CMPLNLGQSA-N 303.322 -0.724 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)c1cccn1C 1123659831 RKFPQSMDEGNUCA-NSHDSACASA-N 321.381 -0.255 30 20 DBED C[C@H](CNCCNC(=O)c1ccc(C#N)[nH]1)CS(C)(=O)=O 1125819143 SQVFTBDFYCULTP-SNVBAGLBSA-N 312.395 -0.114 30 20 DBED COCCN(CCNC(=O)[C@H]1CCOC1)c1ccc(C#N)nn1 1126247268 OBKDQVRITYXJBI-LBPRGKRZSA-N 319.365 -0.046 30 20 DBED C#CCO[C@@H](C)C(=O)NCCNCCCNS(=O)(=O)CC 1127046452 ROYRXLZKQXFZTP-LBPRGKRZSA-N 319.427 -0.940 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)c1nnn(C(C)(C)C)n1 1127773033 OLGASDBSVLNHSJ-SNVBAGLBSA-N 323.401 -0.562 30 20 DBED C#CCCN1CCn2ncc(CNC(=O)CNC(N)=O)c2C1 1128224605 UKIHHBCZIZRERT-UHFFFAOYSA-N 304.354 -0.994 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)[C@@H]2CCC(=O)NC2)C1=O 1130702252 JJWWBWRJNUZUAK-VXGBXAGGSA-N 308.382 -0.995 30 20 DBED CC#CCN1CC[C@]2(C1)CN(C(=O)CNC(N)=O)C[C@H](C)O2 1131632674 NOESCUYFAWZGDJ-WFASDCNBSA-N 308.382 -0.630 30 20 DBED C[C@@H]1CC[C@H](NC(=O)CCN(C)C)CN1CC(=O)NCC#N 1132274627 XKMVBYOCOHXUMA-OLZOCXBDSA-N 309.414 -0.453 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)CCOC)CC[C@H]1C 1132579164 YDUUTAWWPIZYDA-ZIAGYGMSSA-N 309.410 -0.154 30 20 DBED C=CCOCC(=O)N1CC[C@H](C)[C@@H](CNCc2nnnn2C)C1 1132705696 QJWSDQDNUYKBIZ-STQMWFEESA-N 322.413 -0.013 30 20 DBED CC#CCN[C@H](C)C[C@H](C)NC(=O)CCS(=O)(=O)NC 1134351119 CCPLHXHZHDQAFK-NEPJUHHUSA-N 303.428 -0.178 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1ccc2cccnn12 1134936491 URYRRLXRFITMME-GFCCVEGCSA-N 313.361 -0.208 30 20 DBED C=CCn1cc(C(=O)NCCNCc2nnc(CC)n2C)nn1 1134981380 ZWPBGUSICBGMLW-UHFFFAOYSA-N 318.385 -0.325 30 20 DBED C#CCOc1ncccc1C(=O)NCCN[C@@H]1CCCNC1=O 1148302714 TYNVLQZGRMFHCG-CYBMUJFWSA-N 316.361 -0.308 30 20 DBED C[C@@H](CS(C)(=O)=O)C(=O)NC[C@@H]1CN(CC#N)CCCO1 1150787349 MDLASKSFPGDJHS-NWDGAFQWSA-N 317.411 -0.602 30 20 DBED C=CCO[C@H](C)C(=O)NCCNCCCNS(=O)(=O)CC 1153134160 AIQLPDYQFUCZCI-GFCCVEGCSA-N 321.443 -0.387 30 20 DBED C#CCN(CC)[C@H](C)CNC(=O)CCc1nnc(O)nc1O 1154143366 NNXQLDQGSFJFPT-SNVBAGLBSA-N 307.354 -0.325 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)CO[C@@H]1CCOC1 1157952307 AWAIFFLBNHOWAO-QWHCGFSZSA-N 313.398 -0.422 30 20 DBED CN(CC#N)C[C@H]1CCCCN1C(=O)CCNS(C)(=O)=O 1158035688 IVLINNJTFIQLCN-GFCCVEGCSA-N 316.427 -0.238 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@H](C)c1ccnn1C 1158295623 YRYKHYGXICKRFJ-GFCCVEGCSA-N 307.398 -0.078 30 20 DBED N#CCNC(=O)CNCCCNC(=O)c1onc2c1CCCC2 1162491713 PURVCESTXZRSJA-UHFFFAOYSA-N 319.365 -0.097 30 20 DBED C#Cc1ccc(C(=O)NCCCNCC(=O)NC(N)=O)cc1 1163729359 QIYKLJJHZNIVBA-UHFFFAOYSA-N 302.334 -0.428 30 20 DBED C=CCNCC1(CCNC(=O)c2cn(CC(N)=O)nn2)CC1 1168312539 BYUOYELVCOFTRL-UHFFFAOYSA-N 306.370 -0.561 30 20 DBED C#CCNC(=O)CNCCCC[C@@H](C)NC(=O)[C@H]1COC(=O)N1 1170492621 JMVQPYWGXBHUCL-VXGBXAGGSA-N 324.381 -0.891 30 20 DBED C#CCNC(=O)CN1CCO[C@H]2CCN(C(=O)C3(C)CC3)C[C@H]21 1177011977 HTTGHVRMYMZWRO-KGLIPLIRSA-N 319.405 -0.162 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)CNC(=O)OC)[C@H]1C 1178210940 HFCJMFZRIWKRKJ-QWRGUYRKSA-N 312.370 -0.776 30 20 DBED C[C@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)C1=COCCC1 1178291488 IGBDBUXOSIWVDT-AAEUAGOBSA-N 306.366 -0.101 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)[C@]2(F)CCOC2)[C@H]1C 1179398985 QIXHSUJAPANJCE-HUBLWGQQSA-N 311.357 -0.557 30 20 DBED CCc1nn(C)cc1C(=O)N1CC[C@@H](NCC(=O)NCC#N)C1 1183475206 IHDWJQMKQXPTGV-LLVKDONJSA-N 318.381 -0.574 30 20 DBED N#CCNC[C@H]1CN(C(=O)C2(C(N)=O)CC2)CC12CCOCC2 1186505743 VXFPNAOHJOEYEC-LBPRGKRZSA-N 320.393 -0.380 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)CSCC#N)[C@@H]2C1 1186917379 MJMVPWRTQRSVJZ-QWHCGFSZSA-N 320.418 -0.475 30 20 DBED C=CCNC(=O)NC(=O)CN1C[C@@H](O)[C@H](NC(=O)C=C(C)C)C1 1190871067 SNGPNDNHVZMQNK-VXGBXAGGSA-N 324.381 -0.874 30 20 DBED C=CCCC(=O)N[C@@H]1CN(Cc2nc(COC)no2)C[C@H]1O 1191622526 PWUUPTCJRRBBBZ-GHMZBOCLSA-N 310.354 -0.157 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)n2cccc2)C1 1192241611 VYZLWTNJVWCUGH-RBSFLKMASA-N 305.378 -0.140 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(C[C@H]2CCNC(=O)CC2)C[C@H]1O 1192760979 BAGBTQBODXLHET-RBSFLKMASA-N 321.421 -0.277 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]nc2C)C1 1195163227 OQWVSQOZJVPCAT-CYZMBNFOSA-N 321.381 -0.816 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)C/C=C(\C)C=C)C1 1195444665 PPWRLQRACWUCTA-YLBTVKKYSA-N 319.405 -0.192 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCCN(CC(=O)NC(N)=O)CC1 1195651902 DIZRDMGMVIXSSV-CQSZACIVSA-N 312.370 -0.957 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2cccnc2C)C1 1195676783 KKMUEEPHUUXJIS-ZIAGYGMSSA-N 318.377 -0.533 30 20 DBED C=CCNC(=O)[C@H](C)N1CCCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1 1197172626 OQUVRTCZJJWSJU-XQQFMLRXSA-N 322.409 -0.667 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2cccn2CC)C1 1198698543 BJOYHXYIHKEOBN-TZMCWYRMSA-N 320.393 -0.415 30 20 DBED C=CCOCCNC[C@H]1CN(C(=O)Cn2cncn2)CCCO1 1202006002 LEIOMPYRDIMEIL-AWEZNQCLSA-N 323.397 -0.312 30 20 DBED C=CCOCC(=O)N1C[C@H]2CC[C@H]1[C@@H](NCc1nnnn1C)C2 1204136848 ZTZIDFLHSOEXQU-AVGNSLFASA-N 320.397 -0.118 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)[C@H]2CCCN2C)CC1 1204798029 DLINBPFCUDHOJH-OAHLLOKOSA-N 320.437 -0.342 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)c2nc(C)c[nH]2)CC1 1206540273 LTOMHGGMUHUZGT-UHFFFAOYSA-N 317.393 -0.091 30 20 DBED Cc1cc(C(=O)N2CCC[C@@H](NCC(=O)NCC#N)C2)ncn1 1207814660 WPSDCBLILUZUGS-GFCCVEGCSA-N 316.365 -0.381 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@@]23COC[C@@H]2C3)C1 1208083420 DPSDAXSMWWANRW-ZENOOKHLSA-N 305.378 -0.647 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)C(F)F)[C@H](OC)C1 1211741303 LWGVPKRFICGLFY-IVZWLZJFSA-N 305.325 -0.242 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@@H](OC)c2cnn(C)c2)[C@H](OC)C1 1213221430 DCYIIAHLJCKEEF-MCIONIFRSA-N 306.366 -0.444 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2cnn(C)c2)C[C@H]1C 1214114355 SPYZGKQASBLHHP-MBNYWOFBSA-N 317.393 -0.392 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2cn[nH]c2)C[C@H]1C 1214198426 AZTCNHDIFZFVOU-NQBHXWOUSA-N 303.366 -0.402 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN([C@@H](C)CCC=C)C[C@@H]1O 1219486950 ABTXSBUQVKTPLS-MJBXVCDLSA-N 307.394 -0.358 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@@H](C)NC(=O)c2ccoc2)C1 1219686849 WXVSIIUHZBBAJJ-BNOWGMLFSA-N 319.361 -0.418 30 20 DBED C=CCC[C@H](C)N1C[C@H](O)[C@H](NC(=O)c2cn(C)c(=O)cn2)C1 1220037068 HOJJFCYMOKBKQI-SCRDCRAPSA-N 320.393 -0.090 30 20 DBED C#CCCCC(=O)N1C[C@H]2CCN(CC(=O)NCC#N)C[C@H]21 1221514347 STLXRMBYGUZGCH-ZIAGYGMSSA-N 302.378 -0.038 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC(NC(=O)[C@@H]2COCCO2)CC1 1226127805 HZNFZQFPQUTSCC-OCCSQVGLSA-N 323.393 -0.880 30 20 DBED C#CCNC(=O)CN(C)CCCNC(=O)c1cc[n+]([O-])cc1 1233570211 ATHVSQKLLXNBSO-UHFFFAOYSA-N 304.350 -0.879 30 20 DBED C[C@H](C(=O)NC1(C#N)CCC1)N1CCC2(CC1)NC(=O)NC2=O 1321748198 IUUBUGNFLUHHIJ-SNVBAGLBSA-N 319.365 -0.389 30 20 DBED Cn1c(=O)c2ccc(C(=O)N(CC#N)CC#N)nc2n(C)c1=O 1322220557 GCYSCRLZRLBXDF-UHFFFAOYSA-N 312.289 -0.878 30 20 DBED C=C(CC)CNC(=O)C(=O)N1CCC[C@@H]1CS(=O)(=O)NC 1326390323 FHKNZONJMUFDCN-LLVKDONJSA-N 317.411 -0.391 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CCC[C@H](CO)[C@H]2C)nn1 1329222993 NPOABBWTHUAZRE-VXGBXAGGSA-N 321.381 -0.300 30 20 DBED C[C@H](O)CN(C(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1)C1CC1 1329458387 RHTZOUDVGZKTSO-FZMZJTMJSA-N 320.393 -0.443 30 20 DBED C#CCN(C(=O)C(=O)N(C)CCS(=O)(=O)CC)C(C)C 1335690901 WXBLWRBLLUUMFB-UHFFFAOYSA-N 302.396 -0.250 30 20 DBED N#C[C@H](C(=O)[C@@H]1CCCOC1)C(=O)N1CCS(=O)(=O)CC1 1343333569 DIEVQAXENLVYRK-GHMZBOCLSA-N 314.363 -0.621 30 20 DBED CNC[C@H]1CCN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1 1348714361 LUTHJGDTUWPWPU-OCCSQVGLSA-N 319.409 -0.747 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(CC)[C@@H]2CCNC2)C1=O 1349908835 OKJILCQONHJWOF-SNVBAGLBSA-N 308.338 -0.826 30 20 DBED Cc1cc(F)cc(C#N)c1S(=O)(=O)N1C[C@H](O)[C@@H](CO)C1 1364002994 OFMGDHNPSFXFKX-PWSUYJOCSA-N 314.338 -0.021 30 20 DBED N#Cc1ncn(CCNC(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)n1 1364579612 VRPZRQOMYLCUFV-JTQLQIEISA-N 317.353 -0.540 30 20 DBED CNC(=O)Cn1cc(NC(=O)N2CC[C@](O)(CC#N)C2)cn1 1365046700 LQZTUZPCRRSUDQ-CYBMUJFWSA-N 306.326 -0.489 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](C1CC1)N(C)C(=O)c1c[nH]c(=O)cn1 1370420799 GFQSIMXIQHOARP-BXKDBHETSA-N 317.349 -0.104 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](C)CNC(=O)CCS(=O)(=O)N(C)C 1372907607 WGVVHQCNMBZKJB-VHSXEESVSA-N 318.399 -0.952 30 20 DBED C[C@@H](CNC(=O)[C@@H](C)C#N)NC(=O)CCn1cnccc1=O 1373075769 UCHIFYABUPRFOR-QWRGUYRKSA-N 305.338 -0.586 30 20 DBED CC[C@@H](CNC(=O)CNS(=O)(=O)CC)NC(=O)[C@H](C)C#N 1375113304 FKLBJOPZIPPQAZ-ZJUUUORDSA-N 318.399 -0.904 30 20 DBED COC[C@H](O)CN1CCOC[C@H]1CNC(=O)c1cc(C#N)c[nH]1 1380813377 LNSWSVZKHIOTDD-CHWSQXEVSA-N 322.365 -0.676 30 20 DBED COC(=O)NCC(=O)N(C)C[C@@H](C)NC(=O)c1ccc(C#N)[nH]1 1383660285 FUWTWMULMMQJEX-SECBINFHSA-N 321.337 -0.181 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1)NC(=O)c1ccc(C#N)[nH]1 1386411452 JPMVPHMBOFDUBJ-WPRPVWTQSA-N 303.322 -0.601 30 20 DBED C[C@H](C#N)C(=O)N(C)CCNC(=O)[C@H]1CCCCS1(=O)=O 1386941555 JGWCQXUEGZZNTK-GHMZBOCLSA-N 315.395 -0.312 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](C)CCNC(=O)Cn1ccc(O)nc1=O 1387519851 YMROMCOQBPPUKI-VHSXEESVSA-N 321.337 -0.880 30 20 DBED C[C@H](CCNC(=O)c1cc(C(N)=O)ccn1)NC(=O)[C@H](C)C#N 1387520525 ITTPJANBAXOKFK-NXEZZACHSA-N 317.349 -0.035 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(CCNC(=O)[C@H]2CCCOC2)CC1 1396878524 OMESHPQGXWQJOJ-KBPBESRZSA-N 322.409 -0.167 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CCN(C(=O)c2cn(C)c(=O)n2C)C1 1396941686 GJCQNNPUAQTALU-NXEZZACHSA-N 305.338 -0.786 30 20 DBED C[C@@H](CNC(=O)c1cnn[nH]1)N(C)C(=O)c1ccc(C#N)[nH]1 1404407159 UACYDRYHMWJCDR-QMMMGPOBSA-N 301.310 -0.105 30 20 DBED CC(=O)N[C@@H](C)C(=O)N[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 1407753347 NZXUCUTZHUTGRZ-CABZTGNLSA-N 317.349 -0.258 30 20 DBED CN(C[C@@H](O)CNCC(=O)NC1CC1)C(=O)c1cc(C#N)c[nH]1 1410997482 XALIUWRFTJECMU-LBPRGKRZSA-N 319.365 -0.813 30 20 DBED C[C@]1(O)CCCN(C(=O)CCn2cc(C#N)c(O)nc2=O)CC1 1412098237 VPOUJKPULYMTFS-HNNXBMFYSA-N 320.349 -0.026 30 20 DBED C[C@@H]1CCCN(C(=O)CCn2cc(C#N)c(O)nc2=O)[C@@H]1CO 1412807016 IQGQBKSYOIZZMN-ZYHUDNBSSA-N 320.349 -0.170 30 20 DBED COC(=O)CNC(=O)[C@@H]1CCCN1C(=O)c1cccc(C#N)n1 1417558194 DYBOQQTVIHOKTG-LBPRGKRZSA-N 316.317 -0.153 30 20 DBED CSCC[C@@H](O)C(=O)NCCn1cc(C#N)c(O)nc1=O 1418535834 CLUIVRZPRUSHLP-SECBINFHSA-N 312.351 -0.949 30 20 DBED C[C@H](CN(C)C(=O)c1cn(C)nn1)NC(=O)c1ccc(C#N)[nH]1 1425053990 MBGISSJQYDQVOM-SECBINFHSA-N 315.337 -0.095 30 20 DBED C[C@H](CNC(=O)Cc1nc[nH]n1)NC(=O)c1c[nH]c(C#N)c1 1433388973 ZXQBEEUARAVQDW-MRVPVSSYSA-N 301.310 -0.518 30 20 DBED N#Cc1ncn(CC(=O)N2CCN(c3cc(F)ncn3)CC2)n1 1434016395 TZHKFBUXLKVVRJ-UHFFFAOYSA-N 316.300 -0.572 30 20 DBED C[C@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)[C@H]1CN(C)CCO1 1452473082 RQNOJJFZNIXOMV-ZWNOBZJWSA-N 319.365 -0.549 30 20 DBED CCOC(=O)[C@H](C)[C@@H](C)NC(=O)Cn1cc(C#N)c(O)nc1=O 1466367692 HFHPLIJCJVAUKV-RKDXNWHRSA-N 322.321 -0.476 30 20 DBED C#CCN(C)c1nnc(C2=NO[C@@H](CO)C2)n1C[C@H]1CCOC1 1519601027 YXIXJUPYCWHWGY-VXGBXAGGSA-N 319.365 -0.131 30 20 DBED C=CCn1c(N2CCN(C)C(=O)[C@@H]2C)nnc1[C@@](C)(O)COC 1520484254 QFKBRURSWSREJF-NHYWBVRUSA-N 323.397 -0.015 30 20 DBED C[C@@H](C#N)C(=O)NC1CCN(C(=O)c2ccc(=O)n(C)n2)CC1 1523251784 FQAFDYWNTZFRFD-JTQLQIEISA-N 317.349 -0.339 30 20 DBED C[C@@H](CCNC(=O)[C@@H](C)C#N)N=c1cc[nH]c(-c2nn[nH]n2)n1 1573583778 OPXOBFZTRMTIPF-IUCAKERBSA-N 315.341 -0.455 30 20 DBED C#CCN(C)c1nnc([C@@H]2CCCNC2)n1Cc1cnnn1C 1574603846 GFKCKCQPVXCCRH-GFCCVEGCSA-N 314.397 -0.009 30 20 DBED C#C[C@@H](CO)NS(=O)(=O)c1cc(F)cc(C(=O)O)c1F 1588370692 LGXSRIDFUCINGL-ZETCQYMHSA-N 305.258 -0.065 30 20 DBED C#C[C@H]1COCCN1CN1C(=O)N[C@@](C)(CCC(=O)O)C1=O 1588383817 LRHHNHPGFLJBQC-HZMBPMFUSA-N 309.322 -0.547 30 20 DBED C#CCN(Cn1nc(C(=O)O)ccc1=O)C1CCN(C)CC1 1588471632 ULZQGOMHWLTQHR-UHFFFAOYSA-N 304.350 -0.072 30 20 DBED C=CCN(CC=C)C(=O)Cn1cnc(-c2nn[nH]n2)cc1=O 1588632111 SUMFLFJNXLNZPM-UHFFFAOYSA-N 301.310 -0.376 30 20 DBED C=CCN1CCOC[C@H]1CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 1588657084 GQTGTFUISORSQH-LLVKDONJSA-N 317.353 -0.189 30 20 DBED C=CCOCC(=O)NCCCNc1ccc(-c2nn[nH]n2)nn1 1588675738 JFPVHLUHYVEGPE-UHFFFAOYSA-N 318.341 -0.223 30 20 DBED CC(=O)N[C@H]1CCCN(C(=O)CN(CC#N)CCC(=O)O)C1 1589119609 FUKFDWVTDGHUMH-LBPRGKRZSA-N 310.354 -0.586 30 20 DBED C[C@@]1(C(=O)O)CCN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)C1 1589187435 SEMUWTPRDPVSLW-KGLIPLIRSA-N 309.322 -0.813 30 20 DBED C[C@@H]1CN(CCS(=O)(=O)CC(=O)O)C[C@@H](C)N1CC#N 1589399718 HYTHVQJQCYFFMK-GHMZBOCLSA-N 303.384 -0.596 30 20 DBED Cc1onc(CC(=O)N2CC[C@@](O)(CC#N)C2)c1-c1nn[nH]n1 1592516143 UCMINTYOPYLJRQ-ZDUSSCGKSA-N 317.309 -0.417 30 20 DBED C[C@]1(C#N)CCCN(C(=O)C(=O)N2CCO[C@@H](CC(=O)O)C2)C1 1593740808 VVLZSBFCKOYCHE-XHDPSFHLSA-N 323.349 -0.159 30 20 DBED N#Cc1ccc(C(=O)N2CCC[C@@H]2C(=O)NCC(=O)O)nc1 1601091904 DMUDCOHSXLDKGA-LLVKDONJSA-N 302.290 -0.241 30 20 DBED CC(=O)c1cn(C2CN(C(=O)[C@@](C)(C#N)CC(=O)O)C2)nn1 1602778422 IKGNOOJUKGLKKY-CYBMUJFWSA-N 305.294 -0.131 30 20 DBED C=CCCOCC(=O)NC1(C(=O)O)CCS(=O)(=O)CC1 1602881441 WCNYFHYUPOGKHB-UHFFFAOYSA-N 305.352 -0.273 30 20 DBED C[C@H](O)[C@H]1CCCN1C(=O)C(=O)N1CCC(C#N)(C(=O)O)CC1 1604387036 JCFYRDCAKZXOMT-WDEREUQCSA-N 323.349 -0.425 30 20 DBED C=C[C@@H](O)C(=O)OCCCN1C(=O)CS/C1=C/C(=O)O 1609287472 RCTICXKJJGCOHD-VSBFRKNKSA-N 301.320 -0.032 30 20 DBED C[S@@](=O)CCN1CCN(C(=O)C2(C#N)CCOCC2)CC1 1649706659 JGQQDMZFGBVWHG-OAQYLSRUSA-N 313.423 -0.171 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(CCN(C)S(C)(=O)=O)C1 1713947106 DCXICICKQQQTNV-LBPRGKRZSA-N 319.427 -0.729 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)c2cc(COC)on2)C1 1714332138 VCQWEBBRHVHOFE-NSHDSACASA-N 322.365 -0.073 30 20 DBED C#CCCN[C@H]1CCN(C(=O)Cc2c(C)nc(O)nc2O)C1 1731435724 LDXKVDUXHBYKPD-NSHDSACASA-N 304.350 -0.047 30 20 DBED C=CCOCC(=O)N1CC[C@H](NC(=O)CC(=O)NCC)[C@H]1C 1738923721 UYMKCZNFVRNOKS-NEPJUHHUSA-N 311.382 -0.179 30 20 DBED CCN(CCCNC(=O)C1=COCCO1)CC(=O)NCC#N 1752165616 CYJLCZFPZYATPS-UHFFFAOYSA-N 310.354 -0.657 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H](C)CNC(=O)Cc1[nH]cnc1C 1752913524 JIZKSNJGCUQFFF-PWSUYJOCSA-N 305.382 -0.507 30 20 DBED C#CCCNCCNC(=O)[C@@H]1CCCN(C(=O)c2cc[nH]n2)C1 1752923331 BSMXCQVILIDLDB-CYBMUJFWSA-N 317.393 -0.009 30 20 DBED N#Cc1cc(C(=O)N2CC[C@H](CNCCOCCO)C2)c[nH]1 1752933776 HVKSWBIGSQEZCC-GFCCVEGCSA-N 306.366 -0.053 30 20 DBED Cc1nn(CC(=O)NCCCN(CC#N)C(C)C)c(=O)n1C 1753292768 OXXUJAXQHAGHJR-UHFFFAOYSA-N 308.386 -0.370 30 20 DBED COCC#CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC(=O)N(C)C1 1753421635 QIOJWOJFYULHKK-IHRRRGAJSA-N 305.378 -0.600 30 20 DBED C=CCNC(=O)CN1CC[C@H](N(C)C(=O)[C@@H](C)NC(=O)CC)C1 1753436777 NHGZRATZDKHPOC-OLZOCXBDSA-N 324.425 -0.264 30 20 DBED CC(C)N(C)CC(=O)N[C@H]1CCC[C@H]1CNCC(=O)NCC#N 1753900925 DBUVXISCIHLRDQ-KBPBESRZSA-N 323.441 -0.159 30 20 DBED CC(C)C#CC(=O)N[C@@H](C)CNC[C@H](O)CN1C(=O)CCC1=O 1754266487 WAXVNZJCBOTICM-STQMWFEESA-N 323.393 -0.750 30 20 DBED C#CCOCCC(=O)N[C@@H](CN[C@@H]1CCN(C)C1=O)C1CC1 1754438912 IKKFNSOJNXSULC-KGLIPLIRSA-N 307.394 -0.259 30 20 DBED CCN1C[C@H](C(=O)N[C@H](CNCC#CCOC)C2CC2)CC1=O 1754442781 JDPHJLKXASMTPM-HUUCEWRRSA-N 321.421 -0.011 30 20 DBED COCCN(CC#N)C1CCN(C(=O)[C@@H]2CCC(=O)N2)CC1 1754551183 UIEGUHCTKSGNKH-ZDUSSCGKSA-N 308.382 -0.272 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC(N(C)C(=O)[C@@H]2CCC(=O)N2C)C1 1754579866 GSGVHOUKOZTXNG-YPMHNXCESA-N 322.409 -0.560 30 20 DBED N#CCN1CC[C@@](O)(CNC(=O)c2cnn3c2OCCC3)C1 1754752450 JGKWTSGVDIBQDS-CQSZACIVSA-N 305.338 -0.644 30 20 DBED C#CCNCC1(O)CCN(C(=O)CCCCNC(N)=O)CC1 1755150591 URMYQFQMWDUGMK-UHFFFAOYSA-N 310.398 -0.599 30 20 DBED C[C@H](NCC#N)[C@@H]1CN(C(=O)CCS(C)(=O)=O)CCO1 1755446260 XMHZIVYYNGEZQK-QWRGUYRKSA-N 303.384 -0.850 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H](CO)CNC(=O)C1CCC=CCC1 1755647710 PWWYLZGIOHLZKE-ZFWWWQNUSA-N 321.421 -0.063 30 20 DBED C#CCNC[C@@H]1CC[C@H](NC(=O)CN(C)CC(=O)NC(C)C)C1 1755738219 SAVBNTQWTGCMAP-CABCVRRESA-N 322.453 -0.050 30 20 DBED CCC(=O)NCC(=O)N1CC([C@@H](C)NC(=O)C#CC2CC2)C1 1756150251 REBOSIRFTFUOFK-LLVKDONJSA-N 305.378 -0.111 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(C(=O)CCCC(N)=O)[C@H]1C 1756565172 BYOVGPTZWIMLLL-NWDGAFQWSA-N 311.382 -0.050 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1CN(C(=O)[C@]2(C)CCNC2=O)C[C@H]1O 1757022172 LLLASJUTOWLVFB-GLKRBJQHSA-N 323.393 -0.587 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(C(=O)[C@H](C)NC(N)=O)C[C@H]1C 1757067908 UIUTWLNGKOSVCS-GRYCIOLGSA-N 308.382 -0.334 30 20 DBED Cn1cc(C(=O)N2C[C@H](O)[C@H](NC(=O)C#CC(C)(C)C)C2)nn1 1757171815 JDUOEGUTLVVBPZ-PWSUYJOCSA-N 319.365 -0.834 30 20 DBED C=CCOCC(=O)N1CC[C@H](NC(=O)C2=COCCC2)[C@H](O)C1 1757560980 BTGSCMVEUFMRIF-UONOGXRCSA-N 324.377 -0.039 30 20 DBED CC(=NNCCS(N)(=O)=O)c1cc(C(=O)O)ccc1O 1776046785 IBGVYEFNFDNQKY-UHFFFAOYSA-N 301.324 -0.308 30 20 DBED C[C@H](O)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)S)CCO2 1783523984 MNDTXGNEGYMKJS-CWSCBRNRSA-N 302.396 -0.485 30 20 DBED C[C@@H](O)C(=O)N1CC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1783527673 KTBAOGYRZDWMGO-MLGOLLRUSA-N 321.377 -0.109 30 20 DBED C[C@@H](CN)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC#N 1795418547 DELMDRQEHJGNEK-FMSGJZPZSA-N 308.382 -0.525 30 20 DBED CN[C@H](CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CC#N)C2)C(=O)O 1796088359 LVCRHGSTDSEGBK-WRWGMCAJSA-N 322.365 -0.399 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1ncc[nH]1 1801212964 ZCDMMTDFHRDPNS-DRXBFXEBSA-N 316.361 -0.435 30 20 DBED C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1=NN(C)C(=O)CC1)C2 1801596301 GCBLRYJUTGDRPP-ZSBIGDGJSA-N 316.361 -0.134 30 20 DBED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)COC)C2)C1 1840841221 JOPXBAGUJNOBMZ-INIZCTEOSA-N 324.377 -0.497 30 20 DBED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)C2CC(O)C2)C1 1841301027 QUUHKGMEHDJGFH-IYXRBSQSSA-N 320.389 -0.001 30 20 DBED N#CCC(=O)N1CCCC12CN(C(=O)CN1CCOC1=O)C2 1842620501 DYHCTEWBXVTFMV-UHFFFAOYSA-N 306.322 -0.444 30 20 DBED C[C@@H](C(=O)N(C)CCC#N)N(C)C[C@H](O)CN1CCOCC1 83245106 OZQVFHOTSJIOKK-KBPBESRZSA-N 312.414 -0.628 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(CC(=O)N[C@H](C)CC)CC1 124285784 PLBOSJROQINSMY-KGLIPLIRSA-N 308.426 -0.343 30 20 DBED COC[C@](C)(C#N)NC(=O)CCn1nc2ccccn2c1=O 137218551 QLBTWOSTRQHMGZ-AWEZNQCLSA-N 303.322 -0.069 30 20 DBED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCOC[C@H]2C#N)CC1 246114196 QAIRLVPMYSWNTB-HUUCEWRRSA-N 319.409 -0.097 30 20 DBED CCOc1ccc(C#N)cc1NC(=O)C(=O)N1C[C@H](O)[C@H](O)C1 277632126 XGAGTJGHUPYBAX-TXEJJXNPSA-N 319.317 -0.541 30 20 DBED O=C(C/N=C(/O)N1CCN(C2CCC2)CC1)N1CCOCC1 329246222 VPPALPVOQJUXPB-UHFFFAOYSA-N 310.398 -0.071 30 20 DBED C/N=C(/O)CN1CCN(C(=O)[C@H]2CCCCS2(=O)=O)CC1 329598764 PSASCODLXMSKTD-LLVKDONJSA-N 317.411 -0.316 30 20 DBED CN1CCO[C@H](C/N=C(/O)N2CCC[C@H](OCCO)C2)C1 331219020 IBEMTJLPUIMXEG-QWHCGFSZSA-N 301.387 -0.296 30 20 DBED C[C@H]1CN(S(=O)(=O)N(C)[C@@H](C)CC#N)CCS(=O)(=O)C1 332064885 ZZFIBMOTUQEVAW-QWRGUYRKSA-N 323.440 -0.168 30 20 DBED CCN(CCC#N)S(=O)(=O)N[C@H]1CS(=O)(=O)C[C@@H]1C 341959199 QJIWEECCVZGPPR-UWVGGRQHSA-N 309.413 -0.511 30 20 DBED C=CCNC(=O)CNS(=O)(=O)c1cnn([C@@H]2CCOC2)c1 346567586 RCHBYXKQWLGNRL-SNVBAGLBSA-N 314.367 -0.575 30 20 DBED CC(=O)N1CCN(C(=O)[C@@H](C)n2cccc(C#N)c2=O)CC1 408364971 DCWAUKDTJFOJLP-LLVKDONJSA-N 302.334 -0.028 30 20 DBED CCS(=O)(=O)N1CCN(S(=O)(=O)[C@H](C)C#N)[C@H](C)C1 416487531 LQOLSFRRWXALKO-NXEZZACHSA-N 309.413 -0.416 30 20 DBED C=C(C)CN1CCC(NC(=O)C(=O)N2CCNC[C@H]2C)CC1 419702743 BXBACASOFCVCGU-CYBMUJFWSA-N 308.426 -0.037 30 20 DBED C=CCOC[C@H](NC(=O)C(C)(C)S(C)(=O)=O)C(=O)OC 435947471 FFQJTIOYUHOUNH-VIFPVBQESA-N 307.368 -0.330 30 20 DBED N#Cc1ccc(NCC(=O)NCCCN2CCC(O)CC2)nc1 437703620 PUZLUWLMGFXKLQ-UHFFFAOYSA-N 317.393 0.328 30 20 DBED N#Cc1ncn(CCNS(=O)(=O)c2ccc(C(=O)O)cc2)n1 505833125 NSWVQQNNWNNQGW-UHFFFAOYSA-N 321.318 -0.174 30 20 DBED C[C@@H](CNC(=O)CNC(=O)c1ccc(C#N)cc1)S(C)(=O)=O 533134347 RRBJHZPSQLYYKK-JTQLQIEISA-N 323.374 -0.163 30 20 DBED CCC(CC)(NC(=O)C1CN(c2cncc(C#N)n2)C1)C(N)=O 564891740 ZEMFWNPOFQCOMA-UHFFFAOYSA-N 316.365 -0.055 30 20 DBED Cn1c(N2C[C@H]3C[C@@H](O)CC[C@H]3C2)c(C#N)c(=O)n(C)c1=O 591829827 JRXNYQMXFKJZNT-AXFHLTTASA-N 304.350 -0.447 30 20 DBED N#CCC1(CS(=O)(=O)N2CCN(Cc3nc[nH]n3)CC2)CC1 593649341 AOZCUSOFUAAFIP-UHFFFAOYSA-N 324.410 -0.054 30 20 DBED CC(C)NC(=O)c1nnc(N2CCN(CCC#N)CC2)n1C 601858502 DRNBOESZVOGTQB-UHFFFAOYSA-N 305.386 -0.011 30 20 DBED COCCN(CCC#N)S(=O)(=O)NCCCn1cncn1 619707387 IVZISWFAJBVXRM-UHFFFAOYSA-N 316.387 -0.635 30 20 DBED C=C[C@@H]1OCCC[C@H]1NC(=O)NCCNS(=O)(=O)N(C)C 665010169 SGWXKFYZQQMMJW-MNOVXSKESA-N 320.415 -0.585 30 20 DBED C[C@@](O)(C(=O)NCC#CCNC(=O)[C@@](C)(O)C1CC1)C1CC1 672236121 QJWAKCDUTLWRSZ-HOTGVXAUSA-N 308.378 -0.456 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)CCCn2ccnc2)CC1 729370979 FEILWHHRLSNJJP-UHFFFAOYSA-N 317.393 -0.443 30 20 DBED C#CCN1CCC(C(=O)O[C@@H](C)C(=O)N2CCNC2=O)CC1 735938159 TZFCECUCJHZFPR-NSHDSACASA-N 307.350 -0.185 30 20 DBED C[C@H](C(=O)N(CC#N)CC(=O)O)N1C(=O)NC2(CCCC2)C1=O 736202091 YFSOTYRHHSASTH-SECBINFHSA-N 322.321 -0.324 30 20 DBED CN(CCC#N)S(=O)(=O)N1CCN(CC[S@@](C)=O)CC1 754431198 LDCGIENGYRJLKO-LJQANCHMSA-N 322.456 -0.927 30 20 DBED CC(C)[C@H](C#N)OC(=O)CN1CCN(S(C)(=O)=O)CC1 765967866 UAXRTVJUBJIJBL-NSHDSACASA-N 303.384 -0.345 30 20 DBED C#C[C@H](NC(=O)C(=O)NCCCN1CCOCC1)[C@@H]1CCCO1 774471945 RVZHJKRJNGAJMO-KBPBESRZSA-N 323.393 -0.878 30 20 DBED C#C[C@H](NC(=O)C(=O)NCCCOCCOC)[C@H]1CCCO1 785563926 TZHBYDLPDAMASN-QWHCGFSZSA-N 312.366 -0.547 30 20 DBED C#CCC[C@@H](O)CNC(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O 798417399 YXSQDNBREGOIKP-CHWSQXEVSA-N 319.365 -0.401 30 20 DBED C#CCC[C@@H](O)CNC(=O)NC[C@H]1CCCN1S(C)(=O)=O 798443380 JXLRCHOTUCIEKT-VXGBXAGGSA-N 317.411 -0.516 30 20 DBED C=CCN1CC[C@@H](OC(=O)[C@@H]2CC(=O)N(CCOC)C2)C1=O 800128572 FWPNMXFIBJXYGT-VXGBXAGGSA-N 310.350 -0.189 30 20 DBED N#CCNC(=O)CNC(=O)NCC[S@](=O)Cc1ccccc1 805125806 KINYTCVEMMEHGS-QFIPXVFZSA-N 322.390 -0.126 30 20 DBED O=C(CNC(=O)c1cccc(O)c1)N[C@@H]1CCCN(O)C1=O 816757475 SSZFHEZKOIJTJV-LLVKDONJSA-N 307.306 -0.382 30 20 DBED COC(=O)CNC(=O)CNC(=O)/C=C/c1ccccc1C#N 819603634 RVRQDFSXMWVKKF-VOTSOKGWSA-N 301.302 -0.023 30 20 DBED C#CC[C@H](NC(=O)CS(=O)(=O)N(CC)CC)C(=O)OC 837942223 MOOHBUUCKAVVLB-JTQLQIEISA-N 304.368 -0.661 30 20 DBED C#CCOCCC(=O)N1C[C@H](C(=O)OC)CC[C@H]1C(=O)OC 862823007 CKRSOGBDJITTEX-NEPJUHHUSA-N 311.334 -0.021 30 20 DBED C#CCN(C(C)C)S(=O)(=O)CCCS(=O)(=O)N(C)C 921431779 UKJIZYLADKGNCX-UHFFFAOYSA-N 310.441 -0.059 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](N(C)C(=O)c2cc(=O)n(C)o2)C1 939398742 ZKIQHRQMWMHKKK-ZJUUUORDSA-N 306.322 -0.189 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)c2cnnc(O)c2)C1 944634813 HBYSPMTVGKELFN-KOLCDFICSA-N 319.321 -0.701 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CNC(=O)c2nnn(C)n2)CC1 949393996 JPJSISKMMFIDOO-VIFPVBQESA-N 305.342 -0.662 30 20 DBED N#CCN1CCOC2(CCN(C(=O)C[C@H]3CCC(=O)N3)CC2)C1 949490054 ZGNKQDUUYSKFMY-CYBMUJFWSA-N 320.393 -0.128 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2CCN2C(=O)c2nc[nH]n2)nc1 951377711 FMDCTGMPMCMTMU-NSHDSACASA-N 310.317 -0.175 30 20 DBED CN(C(=O)c1c[nH]c(C#N)c1)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 954107134 WVFRICPZDBGOGB-VXGBXAGGSA-N 317.305 -0.166 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](NC(=O)Cn2cnnn2)[C@H](C)C1 957616782 GAJCOJTYEBIDGF-GHMZBOCLSA-N 306.370 -0.152 30 20 DBED COc1cncc(C(=O)NC[C@@H]2CN(CC#N)C[C@H]2O)c1C 958180063 XXCKFFPGMSHSMH-DGCLKSJQSA-N 304.350 -0.055 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2cnc(O)cc2OC)C1 958409787 WRRZTUZNEYNAEA-ZYHUDNBSSA-N 305.334 -0.549 30 20 DBED C=CCCN1C[C@@H](O)[C@H](CNC(=O)c2cc(C(N)=O)c[nH]2)C1 958524655 BIIBCPBSMSMLHY-DGCLKSJQSA-N 306.366 -0.288 30 20 DBED C=C(C)CCN1C[C@H]2[C@H](NC(=O)c3nnc(O)nc3O)[C@H]2C1 960812784 ZRUKSHUVRXKPPZ-MYJAWHEDSA-N 305.338 -0.091 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1ccncn1 960820813 GJBXAMDLXPOXDP-WCFLWFBJSA-N 315.333 -0.312 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CCCN(C(=O)Cn3ncnn3)[C@@H]2C1 963750900 AEXATAYAKQWIGJ-GRYCIOLGSA-N 317.353 -0.718 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CN(C(=O)c3nc[nH]n3)CCO2)C1 965443382 YRQXUQQFPVFHNF-VIFPVBQESA-N 304.310 -0.982 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1ncnn1 969077166 VDMZCLWFWIXYJX-GARJFASQSA-N 303.326 -0.965 30 20 DBED O=C1NC[C@H](C(=O)N2CC[C@@H]3CN(C(=O)C#CC4CC4)[C@@H]3C2)N1 972086412 QRBULUKPBYCSEX-JHJVBQTASA-N 316.361 -0.860 30 20 DBED C#CCN(C)[C@H]1CCN(C(=O)[C@H]2CCc3nnnn3CC2)C1 972384373 IKZIVNQTCYFYJL-STQMWFEESA-N 302.382 -0.209 30 20 DBED C=C(C)CN(C)[C@@H]1CCN(C(=O)CN2CC(=O)N(C)C2=O)C1 972718333 MDVBSVWKWSHQRT-GFCCVEGCSA-N 308.382 -0.011 30 20 DBED O=C1NC[C@H](C(=O)N2C[C@H]3CCN(C(=O)C#CC4CC4)C[C@H]32)N1 974939683 PNBVARWMCMMVDJ-JHJVBQTASA-N 316.361 -0.860 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)Cc3nc[nH]n3)C[C@H]21 974971234 UIRLAOOMMYHPMP-GMTAPVOTSA-N 302.338 -0.434 30 20 DBED N#Cc1c[nH]c(C(=O)NCC2[C@@H]3CN([C@@H]4CCNC4=O)C[C@@H]23)c1 977973485 HCLJAWOFRMXPTO-SGMGOOAPSA-N 313.361 -0.318 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCN(C(=O)C(N)=O)C1 983208817 XFNCXFALDPDUKO-SRVKXCTJSA-N 309.366 -0.582 30 20 DBED CC#CCN1CCCN(C(=O)CN2CC(=O)N(C)C2=O)CC1 989473191 RWAKSFRONMIMBN-UHFFFAOYSA-N 306.366 -0.562 30 20 DBED C#CCN[C@@H]1C[C@@H](C)N(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 989569960 ZLISDSSGIOLNAS-GHMZBOCLSA-N 314.349 -0.717 30 20 DBED CN1CC[C@@H](C(=O)N2CC(NC(=O)c3cc(C#N)c[nH]3)C2)C1=O 990724676 YPQUOEBCGYAPMT-LLVKDONJSA-N 315.333 -0.695 30 20 DBED CN1CCOC[C@@H]1C(=O)N1CC(NC(=O)c2ccc(C#N)[nH]2)C1 990891136 WYSCUOJOFWGWSX-CYBMUJFWSA-N 317.349 -0.842 30 20 DBED C=CCCn1cc(C(=O)NC2CN(C(=O)[C@H]3CCOC3)C2)nn1 991979162 DWTOUGLPNIYNCK-NSHDSACASA-N 319.365 -0.169 30 20 DBED N#CCN1CC[C@]2(NC(=O)[C@@H]3CC(=O)NC(=O)N3)CCC[C@H]12 992254377 APDACDVKZMKAOQ-PKFCDNJMSA-N 305.338 -0.779 30 20 DBED NC(=O)c1ccc(C(=O)NC2CN(C(=O)C#CC3CC3)C2)nc1 994904318 HKEVYAIRLCZDCU-UHFFFAOYSA-N 312.329 -0.466 30 20 DBED COc1c[nH]c(C(=O)NC2CN(C(=O)[C@@H](C)C#N)C2)cc1=O 995612641 MYDWESXYFDKPDU-QMMMGPOBSA-N 304.306 -0.516 30 20 DBED Cn1nnnc1CN[C@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1 998959003 WZRGHWBEWSIIDZ-NSHDSACASA-N 314.353 -0.196 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@H](C)OC)C1 1002829708 NYDYXUZGHCACIT-JSGCOSHPSA-N 307.394 -0.307 30 20 DBED N#CCN1CCC(NC(=O)C2(n3cnnn3)CCOCC2)CC1 1003776015 FXKXOFMKYQNAEU-UHFFFAOYSA-N 319.369 -0.717 30 20 DBED C#Cc1cncc(C(=O)NCC2CN(C(=O)c3ncn(C)n3)C2)c1 1004198943 LUWQVHLKIJIUTQ-UHFFFAOYSA-N 324.344 -0.307 30 20 DBED C[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1NC(=O)C(N)=O 1005209401 ZCRYAWLCJOYNDY-GZMMTYOYSA-N 303.322 -0.662 30 20 DBED C[C@H]1CN(C(=O)C(N)=O)CC2(CCN(C(=O)[C@@H](C)C#N)CC2)O1 1006778919 QSMMROFAJYATMI-QWRGUYRKSA-N 322.365 -0.760 30 20 DBED C[C@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)CC(N)=O 1011591675 PNFCQWYVHYHJLX-KWQFWETISA-N 303.322 -0.519 30 20 DBED C=C(Br)CN[C@H]1C[C@H](NC(=O)Cn2ncnn2)C1 1020156352 IFLPWXKXTCNHEM-KYZUINATSA-N 315.175 -0.182 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H](N(C)CCN2C(=O)CNC2=O)C1 1027330388 OSHBBEAYINEFNV-VXGBXAGGSA-N 321.381 -0.379 30 20 DBED CN(CC#N)[C@@H]1CCCN(C(=O)[C@H]2CCN(C)S2(=O)=O)C1 1027612689 OCEVZRCSUQIAQR-VXGBXAGGSA-N 314.411 -0.533 30 20 DBED CN1CC[C@H](C(=O)NC[C@H]2CCCN2CC#N)S1(=O)=O 1028196336 IWVYHCIRJHYLBW-GHMZBOCLSA-N 300.384 -0.876 30 20 DBED C#CCN1CC[C@H](N(CC)C(=O)[C@H]2CCN(C)S2(=O)=O)C1 1033986759 YFIQAZKFWPQXDE-QWHCGFSZSA-N 313.423 -0.424 30 20 DBED CN1CC[C@@H](C(=O)N[C@H]2CC[C@H](NCC#N)CC2)S1(=O)=O 1034753534 JTBNVVNSTRINKG-SRVKXCTJSA-N 314.411 -0.439 30 20 DBED C=CCCn1cc(C(=O)NC[C@H]2CN(C[C@@H](C)O)CCO2)nn1 1035534514 ADIQSQPYIFVXJF-OLZOCXBDSA-N 323.397 -0.334 30 20 DBED Cc1nn(CC(=O)N2CCC3(CC2)CN(CC#N)C3)c(=O)n1C 1035844422 HJOZCSHTIFSKOB-UHFFFAOYSA-N 318.381 -0.662 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2[C@H]3C[C@H]2N(CC(=O)N2CCC2)C3)[nH]1 1037366583 YUJUHBCLTYGUQZ-ZBINZKHDSA-N 313.361 -0.079 30 20 DBED CC#CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)CN1C(=O)NC(=O)C1(C)C 1037653036 GMQJPHAVDQIBPL-MDZLAQPJSA-N 318.377 -0.471 30 20 DBED CC(C)C#CC(=O)NC[C@@]1(O)CCN(C(=O)c2ncc[nH]2)C1 1039663744 IUSRRDYIJBKPOK-HNNXBMFYSA-N 304.350 -0.238 30 20 DBED C#CCOCCC(=O)NC[C@@]1(O)CCN(C(=O)c2cn[nH]c2)C1 1039719040 MBVYNFURWKNLOD-HNNXBMFYSA-N 320.349 -0.857 30 20 DBED CC#CCCCC(=O)N1CC[C@](O)(CNC(=O)c2cnn[nH]2)C1 1040271325 GZZXZCAZBDQPEU-HNNXBMFYSA-N 319.365 -0.309 30 20 DBED C=C(C)CCC(=O)N1CC(O)(CNC(=O)C2=COCCO2)C1 1041328931 WCRDBLYBAYJHTG-UHFFFAOYSA-N 310.350 -0.080 30 20 DBED COCCn1cc(C(=O)N2CC[C@@H]3CCN(CC#N)[C@@H]3C2)nn1 1042046444 LKVJDDSXEANTNB-GXTWGEPZSA-N 318.381 -0.016 30 20 DBED CC[C@@H](OC)C(=O)N1CC(O)(CNC(=O)c2c[nH]c(C#N)c2)C1 1042669085 FHTFTKNHHNLBFJ-GFCCVEGCSA-N 320.349 -0.386 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)C1CN(Cc2cnon2)C1 1042960574 QUWLYEIPRRMRIO-AWEZNQCLSA-N 303.366 -0.190 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)[C@H]2CC23CC3)C1 1043042389 OOBLSDWXJJCXRL-NWDGAFQWSA-N 306.362 -0.486 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)CCc2nccs2)C1 1043163576 FQOLWLWPWWZFJW-JTQLQIEISA-N 322.390 -0.075 30 20 DBED COCC[C@H](C)C(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1043166883 JXIIZAVLSPIHIS-LBPRGKRZSA-N 308.378 -0.238 30 20 DBED C=CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)c2oncc2C)C1 1043569696 CGSOECZLKAMEJS-LLVKDONJSA-N 323.349 -0.123 30 20 DBED C=CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)Cc2ccc[nH]2)C1 1043576377 PLKCDXRTGHGVTR-LBPRGKRZSA-N 321.377 -0.162 30 20 DBED CCc1nn(C)cc1C(=O)N1CC(O)(CNC(=O)[C@@H](C)C#N)C1 1045552003 PJXFKVDBXIOHGX-JTQLQIEISA-N 319.365 -0.555 30 20 DBED C#CCN1CC[C@@H](N2CCN(C(=O)[C@@]3(F)CCOC3)CC2)C1 1046055909 KFGRKGDBYKRYDL-GDBMZVCRSA-N 309.385 -0.033 30 20 DBED C#CCN1CC[C@@H](N2CCN(C(=O)Cc3ncc[nH]3)CC2)C1 1046073432 FMPVCEPPVPNJMW-CQSZACIVSA-N 301.394 -0.196 30 20 DBED C#CCN1CC[C@@](C)(NC(=O)c2cc(=O)n3[nH]cnc3n2)C1 1046769508 WPXUTKZETUVKOR-CQSZACIVSA-N 300.322 -0.755 30 20 DBED CCn1nc(C)cc1C(=O)NCC1(O)CN(C(=O)[C@@H](C)C#N)C1 1047114865 OEIDTWPTPBHEJF-JTQLQIEISA-N 319.365 -0.326 30 20 DBED CN(C(=O)c1cc2c([nH]1)CCOC2)[C@H]1CN(CC#N)C[C@@H]1O 1047406458 XLRQRAUVQIBVBH-KBPBESRZSA-N 304.350 -0.272 30 20 DBED CN(C(=O)c1ccc2nonc2c1)[C@H]1CN(CC#N)C[C@@H]1O 1047511078 MXBCMVNKOGYRJY-STQMWFEESA-N 301.306 -0.137 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cnc(O)cc2OC)C1 1047530219 UIFCSYVHTUAFIW-RYUDHWBXSA-N 305.334 -0.454 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cn[nH]c2)C1 1048350476 TXDWTAHNTAMDGQ-WXHSDQCUSA-N 320.349 -0.908 30 20 DBED C#CCN1C[C@H]2CN(C(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)C[C@H]2C1 1049053497 FEBCFLVHRZLDLK-LJISPDSOSA-N 319.405 -0.354 30 20 DBED CC(=O)N1CCOC[C@H]1C(=O)N1C[C@@H]2CN(CC#N)C[C@@H]2C1 1049223460 QWSAELBOHGGFMW-MJBXVCDLSA-N 306.366 -0.853 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)Cc2cncnc2)C[C@@H]1O 1049394344 JEZSEKWWPDIXLM-WXHSDQCUSA-N 317.349 -0.791 30 20 DBED C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)CN1CCC(=O)NC1=O 1049832860 ZIJMYLJEJBHJBG-CHWSQXEVSA-N 318.377 -0.373 30 20 DBED C#CCCN1C[C@@H]2CCCN(C(=O)C3CC(=O)NC(=O)C3)[C@@H]2C1 1050161121 IFIZAEWOIGYEJJ-GXTWGEPZSA-N 317.389 -0.015 30 20 DBED C=C(C)CN1CCOC[C@H]1CNC(=O)C1CS(=O)(=O)C1 1050935714 BPOZIEJPMMLSGE-GFCCVEGCSA-N 302.396 -0.576 30 20 DBED CC#CCN1CCOC[C@@H]1CNC(=O)c1ccn(C)c(=O)c1 1050987907 XJHNPIGTNIRNAG-AWEZNQCLSA-N 303.362 -0.161 30 20 DBED Cn1nnc2cccc(C(=O)NC[C@H]3COCCN3CC#N)c21 1051270330 LTXLXPUAXYIQNE-NSHDSACASA-N 314.349 -0.078 30 20 DBED C#CCCN1CCN([C@@H]2CCN(C(=O)[C@H]3CCNC3=O)C2)CC1 1052060193 ZNBAXMOAKBIXFS-CABCVRRESA-N 318.421 -0.636 30 20 DBED N#CCN1CCN([C@H]2CCN(C(=O)Cc3nc[nH]n3)C2)CC1 1052106589 OUOVOPHPKBJYDJ-LBPRGKRZSA-N 303.370 -0.911 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)CN1CCCC1=O)CCO2 1053152187 NYMFBEIJMRXLAN-UHFFFAOYSA-N 305.378 -0.455 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)c3nccn4ccnc34)CO2)C1 1053929250 VGUWDCURBODBCY-LBPRGKRZSA-N 311.345 -0.064 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)c3c(C)nn(C)c3OC)CO2)C1 1053943983 ARTUUVMRDSVZAY-LBPRGKRZSA-N 318.377 -0.057 30 20 DBED C=CCN1CC2(C[C@H](NC(=O)[C@@H]3CN(CC)CCO3)CO2)C1 1054013929 DPNWQGBGBCNBNJ-KBPBESRZSA-N 309.410 -0.147 30 20 DBED C=C[C@H](C)[C@H](C)C(=O)NC1CCN(CCNC(=O)C(N)=O)CC1 1055629466 AZKSLJNMTWTOTN-RYUDHWBXSA-N 324.425 -0.373 30 20 DBED CO[C@H](C)C(=O)N1CCC[C@](CO)(NC(=O)C#CC2CC2)C1 1055936625 JSNQWKACEAQHBB-WBMJQRKESA-N 308.378 -0.096 30 20 DBED N#Cc1cnc(N2CCN(C(=O)[C@@H]3CNC(=O)N3)CC2)c(F)c1 1055999054 VYHHHNLEURTSQY-NSHDSACASA-N 318.312 -0.578 30 20 DBED N#Cc1cccnc1N1C[C@H]2C(NC(=O)[C@H]3COCCO3)[C@@H]2C1 1056135410 PGDJWQMTABZDGM-JHJVBQTASA-N 314.345 -0.081 30 20 DBED CN1CC[C@@H](C(=O)N2CC[C@@H](N=c3cc[nH]c(C#N)n3)C2)C1=O 1056752585 BGFLOQWHNGLDPA-GHMZBOCLSA-N 314.349 -0.739 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)c1cc[n+]([O-])cc1 1056879199 VVIWMPITQXMZJN-NSHDSACASA-N 306.322 -0.970 30 20 DBED N#Cc1nccnc1N1CCCN(C(=O)[C@@H]2CCC(=O)N2)CC1 1057161942 OAHGHBFOAUOHSO-NSHDSACASA-N 314.349 -0.334 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)c1cc(C)ncn1 1057193169 BAOMDBZCAFBTFN-UHFFFAOYSA-N 322.365 -0.462 30 20 DBED O=C(C#CC1CC1)NCCN(CCO)C(=O)C[C@@H]1COC(=O)C1 1057348064 STDGFWXHWLJXPK-ZDUSSCGKSA-N 322.361 -0.710 30 20 DBED C=C[C@](C)(O)CC(=O)N(CCO)CCNC(=O)c1cc[nH]c1 1057451313 IVTPIGUMQQKJGS-HNNXBMFYSA-N 309.366 -0.108 30 20 DBED Cn1nnc(C(=O)N[C@H]2CCCN(c3nccnc3C#N)C2)n1 1058219683 ZZCSJWUCPRFWOZ-VIFPVBQESA-N 313.325 -0.729 30 20 DBED N#Cc1nccnc1N1CC[C@@H](NC(=O)C[C@@H]2CCC(=O)N2)C1 1058396963 YNXWTBGJRUWHNQ-WDEREUQCSA-N 314.349 -0.288 30 20 DBED COCc1nc(C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N)co1 1058656800 KVHXJKGYRVNBPS-JTQLQIEISA-N 324.337 -0.469 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)CCOCC(F)F 1058656921 MYRZDYOXRWZOBN-SNVBAGLBSA-N 321.324 -0.245 30 20 DBED CCn1nncc1C(=O)N1CC[C@H](N=c2cc[nH]c(C#N)n2)C1 1058888238 IUUCGUFRDWSREW-JTQLQIEISA-N 312.337 -0.292 30 20 DBED CNC(=O)NCCC(=O)N1CC[C@@H](CCNC(=O)[C@@H](C)C#N)C1 1059591888 WBXIOFYZTIFZNM-NWDGAFQWSA-N 323.397 -0.180 30 20 DBED CN1C[C@H](C(=O)N[C@H]2C[C@@H](Nc3cncc(C#N)n3)C2)CC1=O 1059862440 MEIGEDHNBBESGF-MXWKQRLJSA-N 314.349 -0.114 30 20 DBED CC(C)C#CC(=O)NCC[C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 1060258335 DFHUYKFCXQUNMZ-QWHCGFSZSA-N 320.393 -0.318 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)Cc1cnn(C)c1 1061412207 NAPMSNVBQPGFOS-DGCLKSJQSA-N 319.365 -0.534 30 20 DBED C=CCCCC(=O)N1CCOC[C@H]1CNC(=O)[C@H]1CCC(=O)N1 1061419803 PTKVMXDRBIMCER-CHWSQXEVSA-N 323.393 -0.035 30 20 DBED O=C(Cn1ccnc1)NC[C@@H]1COCCN1C(=O)C#CC1CC1 1061682456 KNUYSYMIQWZGJL-CQSZACIVSA-N 316.361 -0.360 30 20 DBED C#CCOCCC(=O)NCC1(NC(=O)c2cnnn2C)CCC1 1063038770 RTPOCUCNMPLPNJ-UHFFFAOYSA-N 319.365 -0.376 30 20 DBED Cc1ncc(C(=O)N2CCO[C@H](CNC(=O)[C@@H](C)C#N)C2)n1C 1065501515 IRULUNKBYHWXFU-CMPLNLGQSA-N 319.365 -0.155 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CN(C(=O)Cc2cnc[nH]2)CCO1 1065669987 AQJKUGYFYKLKSJ-JQWIXIFHSA-N 305.338 -0.545 30 20 DBED N#Cc1nc(=NC[C@@H]2CN(C(=O)[C@@H]3CCCO3)CCO2)cc[nH]1 1066587250 WFFXZLUYRCKPGH-NEPJUHHUSA-N 317.349 -0.412 30 20 DBED C=CCOCC(=O)N(C)CCCN(C)C(=O)c1cnnn1C 1066998922 JHGVMPHUJRPTBT-UHFFFAOYSA-N 309.370 -0.062 30 20 DBED Cc1cc(=N[C@@H]2CN(C(=O)CC(N)=O)C[C@@H]2C)c(C#N)c[nH]1 1067061248 FCSVPDQKXSDUNO-TVQRCGJNSA-N 301.350 -0.182 30 20 DBED CN(CCCN(C)C(=O)Cn1nccn1)C(=O)C#CC1CC1 1067376781 UQDUQPZMGSBPHR-UHFFFAOYSA-N 303.366 -0.002 30 20 DBED CN(C[C@@H]1CCCN1C(=O)CC(N)=O)c1cnc(C#N)cn1 1067743930 NRTJGFNDNAWJAM-NSHDSACASA-N 302.338 -0.349 30 20 DBED N#Cc1nccc(N2C[C@@H]3CC[C@H](NC(=O)C(N)=O)C[C@H]3C2)n1 1068266484 KTAVQSKFJUFUHG-DCAQKATOSA-N 314.349 -0.445 30 20 DBED C=CCCC(=O)N[C@H]1COC2(C1)CN(C(=O)[C@@H]1COC(=O)N1)C2 1068753025 KXXSEIOXLRBHCB-MNOVXSKESA-N 323.349 -0.453 30 20 DBED Cn1cnc(C(=O)N[C@@H]2CN(CC#N)C[C@@H]2n2ccnn2)c1 1069909630 HZOVJDCKOBXSJA-PWSUYJOCSA-N 300.326 -0.810 30 20 DBED C=CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H]2COC(=O)N2)C1 1069918136 AJPXTEFDLVFHDC-UTUOFQBUSA-N 320.353 -0.696 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)[C@@H]2CCNC2=O)CCOCC1 1070233915 IEXJDQSUHAPZOO-WDEREUQCSA-N 322.365 -0.936 30 20 DBED CS(=O)(=O)CC(=O)N1CCC[C@@H](NC(=O)C#CC2CC2)C1 1070495490 KGYXVIAILHGCBL-GFCCVEGCSA-N 312.391 -0.448 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)c4nonc4C)C[C@@]3(C1)O2 1070896086 UDHYWEYGOLCMQV-LALPHHSUSA-N 302.334 -0.073 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)[C@@H]2C[C@H]2C(=O)OC)CC1 1070946193 XFTYGDYXFKYIHL-CHWSQXEVSA-N 323.393 -0.368 30 20 DBED C#CCCN1CCNC(=O)CCN(C(=O)c2n[nH]cc2F)CC1 1070997367 GDECJNZVIIDLER-UHFFFAOYSA-N 321.356 -0.164 30 20 DBED C=CCCN1CCNC(=O)CCN(C(=O)Cn2cncn2)CC1 1071019547 REFUGXUIDNJFPS-UHFFFAOYSA-N 320.397 -0.495 30 20 DBED CC(C)C#CC(=O)N[C@H]1CN(C(=O)CN2CCOCC2)C[C@H]1C 1071917395 AUYYFYPPLFRSRB-CABCVRRESA-N 321.421 -0.059 30 20 DBED C=CCN1CCC2(C1)CN(C(=O)CN1C(=O)C(=O)N(C)C1=O)C2 1073031860 SLXDFKYSPHCYEE-UHFFFAOYSA-N 320.349 -0.873 30 20 DBED C=C(C)CCN1CCO[C@H]2CCN(C(=O)Cn3ncnn3)C[C@H]21 1074242532 ZFBFJGFCMUSQGJ-KGLIPLIRSA-N 320.397 -0.059 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)c3cn(CC)nn3)C[C@@H]21 1074370506 BIVYFCIRPSMCPK-KBPBESRZSA-N 303.366 -0.154 30 20 DBED C[C@@H](CCNC(=O)c1cc(C#N)c[nH]1)NC(=O)c1cnn(C)n1 1076071068 JGQOICSVSSJACY-VIFPVBQESA-N 315.337 -0.047 30 20 DBED C#Cc1cncc(C(=O)N2CC[C@H]3CN(CC(=O)NC)C[C@H]32)c1 1076223327 UESWPMFWAQLDDC-DZGCQCFKSA-N 312.373 -0.045 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)c2ccc3c(c2)NC(=O)C3)C1 1077049717 IBQBCPOEUXPHFU-HUUCEWRRSA-N 313.357 -0.021 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)Cn2cc(C3CC3)nn2)C1 1077125848 ZJVWMBDLPLRPGH-ZIAGYGMSSA-N 305.382 -0.107 30 20 DBED N#Cc1cccc(CN2C[C@@H](O)[C@H](NC(=O)c3cnn[nH]3)C2)c1 1077287276 RXIMHRDULOYGPW-ZIAGYGMSSA-N 312.333 -0.349 30 20 DBED C#CCN1C[C@@H](NC(=O)c2cnc3n2CCOC3)[C@H](OC)C1 1081815884 JKUHKMJDJPVORH-DGCLKSJQSA-N 304.350 -0.525 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CC[C@@H](C(N)=O)C1 1083194975 VIEMEPASMSKJGG-CBBWQLFWSA-N 319.405 -0.177 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)C[C@H](C)N1CCCC1=O 1083246428 QRKRFYLTRORWPD-SOUVJXGZSA-N 319.405 -0.068 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)[C@H]2CCCCS2(=O)=O)C1 1083522131 UUNGQCLULSCYIT-FRRDWIJNSA-N 316.423 -0.309 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2cnc3ccc(OC)nn23)C1 1083581039 ILDRYBRDRCJWKX-PWSUYJOCSA-N 315.333 -0.854 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCc3cncn3C2)C1 1083583641 MLFJPEPUAKJJQB-CFVMTHIKSA-N 302.378 -0.370 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](NC(=O)Cn2ccc(O)nc2=O)C1 1083612677 HXSKUACOVYHVSX-NEPJUHHUSA-N 322.365 -0.924 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)C(C)(C)N2CCOCC2)C1 1083864601 XEGPFBCMHCDNNZ-KGLIPLIRSA-N 311.426 -0.165 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CCN(Cc3nc(O)n[nH]3)C[C@H]2C1 1087911391 UDFQNVRMEPXVOX-AXFHLTTASA-N 304.354 -0.050 30 20 DBED C[C@H](C[C@@H](C)Nc1cnc(C#N)cn1)NC(=O)Cn1cnnn1 1089214025 DTVBBGAKJCGDJZ-NXEZZACHSA-N 315.341 -0.270 30 20 DBED CNC(=O)NCC(=O)N[C@@H](C)C[C@H](C)Nc1cncc(C#N)n1 1089498812 JOYMHCNVGFTGGA-UWVGGRQHSA-N 319.369 -0.028 30 20 DBED CC(C)(O)CC(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1O 1090413812 YYXKJPPDTFPDJG-CHWSQXEVSA-N 304.350 -0.220 30 20 DBED CCC[C@@H](OC)C(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1O 1090510897 GSPDSAGBLVMQMK-JHJVBQTASA-N 319.365 -0.171 30 20 DBED N#CCN1CC[C@H](NC(=O)c2cnc(C3CC3)nc2O)[C@@H](O)C1 1090631834 WXKBNJNZCDKCHM-RYUDHWBXSA-N 317.349 -0.252 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2nc3ncccn3n2)[C@H](O)C1 1090657951 LTHGQPYRRHAAEQ-NWDGAFQWSA-N 314.349 -0.687 30 20 DBED C[C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1Nc1nccnc1C#N 1090955286 JZMJNCBHWUUWAY-PSASIEDQSA-N 303.326 -0.725 30 20 DBED C#CCOCCC(=O)NC1[C@H]2CN(c3ccnc(C#N)n3)C[C@H]12 1093310421 IJFJHXFXWVVEPJ-RYUDHWBXSA-N 311.345 -0.061 30 20 DBED C=CCN1CC(OC2CCN(C(=O)[C@@H]3CN(C)C(=O)N3)CC2)C1 1093560924 RSHRTOJBTPULCY-AWEZNQCLSA-N 322.409 -0.112 30 20 DBED CC(=O)N1CCO[C@@H](C(=O)NCCN=c2cc[nH]cc2C#N)C1 1093798932 GTOFJRHOXMPQGF-CQSZACIVSA-N 317.349 -0.849 30 20 DBED N#Cc1c[nH]ccc1=NCCCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 1094780556 DSAFKRXNWNUDTJ-QWHCGFSZSA-N 317.349 -0.674 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](Nc2cncc(C#N)n2)C1 1095035069 LMWKXSKMNFCRRY-LLVKDONJSA-N 312.333 -0.499 30 20 DBED COC(=O)NCC(=O)NCCCN(C)c1ccnc(C#N)n1 1095484114 YERJDIJITGURPP-UHFFFAOYSA-N 306.326 -0.353 30 20 DBED CN(CCCNC(=O)c1cn(C)nn1)c1nccnc1C#N 1095539497 UGRFLABYUBBFKE-UHFFFAOYSA-N 300.326 -0.267 30 20 DBED CN(CCCNC(=O)c1cnn(C)c1N)c1ccnc(C#N)n1 1095540261 IILHSTLKOSDBKI-UHFFFAOYSA-N 314.353 -0.080 30 20 DBED CN(CCCNC(=O)Cn1nccn1)c1cnc(C#N)cn1 1095653766 MAMUYSIBFWBYLS-UHFFFAOYSA-N 300.326 -0.418 30 20 DBED C[C@@H](C(=O)N[C@H]1C[C@H](Nc2cncc(C#N)n2)C1)S(C)(=O)=O 1097113503 WRJXNWFCBFADSO-GUBZILKMSA-N 323.378 -0.160 30 20 DBED CS(=O)(=O)CCC(=O)N[C@H]1C[C@@H](N=c2cc[nH]cc2C#N)C1 1097265086 RZBXMASNYRSDTD-TXEJJXNPSA-N 322.390 -0.131 30 20 DBED CCN1CCO[C@@H](C(=O)NC[C@H](C)Nc2cncc(C#N)n2)C1 1097874283 FSMNFTPBKCJPLJ-WCQYABFASA-N 318.381 -0.014 30 20 DBED C[C@@H](CCNC(=O)[C@H]1COC(=O)N1)N=c1cc[nH]c(C#N)n1 1099077548 OUWOBZVOIBBHMV-DTWKUNHWSA-N 304.310 -0.815 30 20 DBED Cn1nc(C(=O)N[C@]23CCC[C@H]2CN(CC#N)C3)ccc1=O 1099147941 PXGLHYQHYGJNMW-NHYWBVRUSA-N 301.350 -0.112 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)CC(=O)NCC)[C@@H](O)C1 1099796855 KAMMFJNFAYPEHV-STQMWFEESA-N 313.398 -0.733 30 20 DBED CC(C)N(C)C(=O)CN1CC[C@@H](NC(=O)C#CC2CC2)[C@H](O)C1 1099827118 UIJLBANTEOSFMH-HUUCEWRRSA-N 321.421 -0.182 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)c2cocc2C)[C@H](O)C1 1099950372 ZVANKFGUBNKUCX-ZIAGYGMSSA-N 319.361 -0.498 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)CCn2cnccc2=O)[C@@H](O)C1 1100050470 ITBFEGJCESOCHJ-KBPBESRZSA-N 320.393 -0.239 30 20 DBED Cc1noc(CCCC(=O)N[C@H]2CCN(CC#N)C[C@H]2O)n1 1100113084 ZJVWZGAGGRMZTH-NWDGAFQWSA-N 307.354 -0.224 30 20 DBED C=CCCOCC(=O)N[C@H]1CCN(Cc2cnnn2C)C[C@H]1O 1100139659 VFUBEGGIQVDPBD-UONOGXRCSA-N 323.397 -0.541 30 20 DBED CN(CCNC(=O)[C@@H]1CC[C@H]1C(N)=O)c1nccnc1C#N 1100268633 DWJMSATYTTVDSW-NXEZZACHSA-N 302.338 -0.588 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CC(CNC(=O)C2=CCOCC2)C1 1100269887 SQTDCZROQSEGCS-DNOWBOINSA-N 319.405 -0.045 30 20 DBED CN(CCN=c1cc[nH]cc1C#N)C(=O)[C@H]1CCCS1(=O)=O 1101641899 FZZDVRYBNIJNPQ-CYBMUJFWSA-N 322.390 -0.177 30 20 DBED CN(CCNc1cnc(C#N)cn1)C(=O)C[C@H]1CC(=O)NC1=O 1101680354 JFAOFAUUEPNFQY-SECBINFHSA-N 316.321 -0.729 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CN(CC(=O)N2CCOCC2)C[C@H]1C 1101823789 LWUSNBSFDSUEEP-BFHYXJOUSA-N 322.409 -0.311 30 20 DBED C[C@H]1CN(C)C[C@H]1C(=O)N(C)CCN=c1cc[nH]c(C#N)n1 1101970825 KXFLLKCYRLLCFW-NWDGAFQWSA-N 302.382 -0.162 30 20 DBED CC[C@@H](CNC(=O)[C@@H]1COCCN1C)Nc1cncc(C#N)n1 1103036753 QVTRJXHLGQCMMA-AAEUAGOBSA-N 318.381 -0.014 30 20 DBED CC[C@H](CNC(=O)[C@@H]1COC(=O)N1)Nc1cnc(C#N)cn1 1103053203 PDBUTKPNPYAGBA-SCZZXKLOSA-N 304.310 -0.237 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)c1cc(=O)n(C)o1 1104538429 QWBLJGSKVPRZTB-VIFPVBQESA-N 316.321 -0.366 30 20 DBED C=CCOCCCC(=O)N1CC(n2cc(CNCCO)nn2)C1 1105202617 NEKAIORHVNVRAK-UHFFFAOYSA-N 323.397 -0.274 30 20 DBED CC(C)[C@H](CNC(=O)C(C)(C)C(N)=O)N=c1cc[nH]c(C#N)n1 1105234574 DBVOHMXNCUWILM-JTQLQIEISA-N 318.381 -0.166 30 20 DBED CC(C)[C@@H]1N(C(=O)CNC(N)=O)C[C@@]12C[C@@H](O)[C@H](NCC#N)C2 1105594014 KGRDYEXVRACIAI-UQFNBPPOSA-N 323.397 -0.856 30 20 DBED N#Cc1ccc(NC[C@H]2CCC[C@@H]2NC(=O)CC(N)=O)nn1 1105651044 IRRNEDUKEIMZRH-KOLCDFICSA-N 302.338 -0.080 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)C[C@@H]2CCOC2)nn1 1105759469 MTDPRRGYQLTXBE-CMPLNLGQSA-N 305.338 -0.336 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)[C@H](C)OCC)C[C@H]1C 1105854815 BGQQDEUAPZWSNC-HZSPNIEDSA-N 309.410 -0.155 30 20 DBED Cc1cc(C#N)nc(NC[C@H](O)CNC(=O)Cc2cnc[nH]2)n1 1106130852 YEKWUSXEBXDHFO-GFCCVEGCSA-N 315.337 -0.489 30 20 DBED C[C@@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)Cn1nccn1 1106460775 VZEORXAJOAXPMD-JTQLQIEISA-N 300.326 -0.631 30 20 DBED C=C[C@@H](CC)CC(=O)NCc1cn(C2CN(CC(N)=O)C2)nn1 1107198432 GYMCGLRHOMRQPH-NSHDSACASA-N 320.397 -0.161 30 20 DBED N#Cc1cncc(NC/C=C\CNC(=O)C[C@H]2CCNC2=O)n1 1107374825 JQKBMLYDCAFVKR-RFMOXSJOSA-N 314.349 -0.041 30 20 DBED CN1CC[C@H](C(=O)NC/C=C\CNc2cnc(C#N)cn2)C1=O 1107460665 YYSHCIYPTQUJAC-ZZKXABKFSA-N 314.349 -0.089 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H](C)CNc1nccn2nnnc12 1108337884 PAEQOIOZXQPPLV-ZANVPECISA-N 305.342 -0.237 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)C2CCN(C(N)=O)CC2)C1 1108386932 LFFWZCBFFHULEV-MRXNPFEDSA-N 322.409 -0.383 30 20 DBED CC(C)S(=O)(=O)CC(=O)NC[C@@]1(C)CN(CC#N)CCO1 1108405103 SWQXKPLSAUOEEB-ZDUSSCGKSA-N 317.411 -0.460 30 20 DBED C=CCN1CCN(C(=O)[C@@H](C)COC)[C@@H]2CS(=O)(=O)C[C@@H]21 1108465413 POLSYLSMKLRGKG-RWMBFGLXSA-N 316.423 -0.235 30 20 DBED N#CCN1CCN(C(=O)CCCF)[C@@H]2CS(=O)(=O)C[C@@H]21 1108478954 SIHRDVQXERNUDM-WDEREUQCSA-N 303.359 -0.431 30 20 DBED CN(CC(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1)C1CCC1 1108552596 PRIBPSDJGROYPM-LBPRGKRZSA-N 319.409 -0.604 30 20 DBED CC(=O)N[C@H](C)C(=O)N[C@@]1(C)CCN(c2ccnc(C#N)n2)C1 1110717472 XFCFMBYQASLUPO-BMIGLBTASA-N 316.365 -0.042 30 20 DBED COC[C@@H](C)C(=O)NC[C@@]1(O)CCN(c2cncc(C#N)n2)C1 1111043504 GPZVMTDCNJXIPF-ABAIWWIYSA-N 319.365 -0.312 30 20 DBED C#CCOCCC(=O)NC[C@@H]1COCCN1c1ncccn1 1111700125 JJJDLYQGFCVOTP-CYBMUJFWSA-N 304.350 -0.162 30 20 DBED COCCC(=O)NC[C@@H]1CN(c2ccc(C#N)cn2)C[C@@H]1O 1112689893 TZELBYMQEMLIAX-OLZOCXBDSA-N 304.350 -0.097 30 20 DBED CC(C)(O)CC(=O)NC[C@H]1CN(c2nccnc2C#N)C[C@H]1O 1112717841 PNVLCAMEJYPCDR-CMPLNLGQSA-N 319.365 -0.577 30 20 DBED C#CCNC(=O)CC(=O)N1CCN(Cc2cccnc2)CC1 1112774162 JPYQFBWVXNIAGT-UHFFFAOYSA-N 300.362 -0.135 30 20 DBED C[C@H](NC(N)=O)C(=O)NC1CC(CNc2cncc(C#N)n2)C1 1112835083 OEXVOVFHFXENRC-IDKOKCKLSA-N 317.353 -0.288 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)CN2CCC[C@H]2C)CC1 1113344265 QSEHTZBSYOEGTD-CQSZACIVSA-N 308.426 -0.083 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)[C@@H]2CCO[C@H]2C=C)CC1 1113360856 IJOLMZVHXOPCKC-KFWWJZLASA-N 319.405 -0.140 30 20 DBED C[C@@H]1CCN(c2ccc(C#N)cn2)C[C@@H]1NC(=O)CNC(N)=O 1113997773 OALAESDSPDQBDO-PWSUYJOCSA-N 316.365 -0.047 30 20 DBED C#CCCCC(=O)N[C@H]1[C@@H]2CN([C@@H]3CCC(=O)NC3=O)C[C@@H]21 1114199559 WSMWJCPACKASIH-ZAZJYDDPSA-N 303.362 -0.359 30 20 DBED COCCOC[C@H](O)CN1C[C@H]2[C@H](NC(=O)C#CC3CC3)[C@H]2C1 1114255595 LMKLWBXAIGSCMT-AIANPOQGSA-N 322.405 -0.530 30 20 DBED N#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@H]3CCC3(F)F)[C@H]2C1 1114447009 DUZOCIXEBYIIEA-KLBPJQLPSA-N 312.320 -0.282 30 20 DBED N#Cc1cnc(N2C[C@H]3C(CNC(=O)CC(N)=O)[C@@H]3C2)c(F)c1 1114546394 BXEQSEHBOUQTGJ-QWRGUYRKSA-N 317.324 -0.234 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)N[C@@H]2CCN3CCC[C@H]3C2)C1 1118144968 GJUDVEDKLQRKBD-WWGRRREGSA-N 320.393 -0.394 30 20 DBED C=CCC1(O)CCN(C(=O)C(=O)N[C@@H]2CCCN(C)C2=O)CC1 1119487891 FNQWDLBZJKDDBB-GFCCVEGCSA-N 323.393 -0.347 30 20 DBED Cc1ocnc1C(=O)NC[C@H](CO)Nc1ccc(C#N)nn1 1121164950 IFVHDHBOHWZGFW-SNVBAGLBSA-N 302.294 -0.153 30 20 DBED CO[C@H](C)CC(=O)NC[C@@H](CO)N=c1cc(C)[nH]cc1C#N 1121192855 ZXPLEYYNGYFSEX-YPMHNXCESA-N 306.366 -0.002 30 20 DBED CN1CCC[C@@H]1C(=O)NC[C@H](CO)Nc1ccc(C#N)nc1 1121241019 LLUSKNOLHMBHTN-ZIAGYGMSSA-N 303.366 -0.064 30 20 DBED C=CCOCC(=O)NC[C@H](CO)Nc1nc(C)cc(C#N)n1 1121325433 ZZNUNXYQEWCWHP-GFCCVEGCSA-N 305.338 -0.252 30 20 DBED Cc1cc(C#N)nc(N[C@H](CO)CNC(=O)c2ccncn2)n1 1121949619 UUAODGHCGQODBQ-NSHDSACASA-N 313.321 -0.351 30 20 DBED N#Cc1cccnc1N[C@H](CO)CNC(=O)[C@]1(F)CCOC1 1122411883 UFNHQSQINXIRPO-FZMZJTMJSA-N 308.313 -0.029 30 20 DBED CO[C@H](C(=O)NC[C@@H](CO)N=c1cc[nH]cc1C#N)C(C)C 1122445498 QHSOHMJDBSEMGW-JSGCOSHPSA-N 306.366 -0.065 30 20 DBED COC[C@@H](OC)C(=O)NC[C@H](CO)Nc1ccc(C#N)nc1 1122466553 PMXCYLDVHVAATQ-CHWSQXEVSA-N 308.338 -0.496 30 20 DBED CN(C[C@H](O)CNc1ccc(C#N)nn1)C(=O)c1cnon1 1124466018 FPJSEVZELQYDPU-SECBINFHSA-N 303.282 -0.724 30 20 DBED CO[C@H](C)C(=O)N(C)CCOCCN=c1cc[nH]c(C#N)n1 1127185412 UKPXLIYKYYRHDE-LLVKDONJSA-N 307.354 -0.308 30 20 DBED C#CCC1(C(=O)NCCN[C@H](C)c2nnnn2C)CCOCC1 1129117142 UFNMRLKAOMHSRT-GFCCVEGCSA-N 320.397 -0.203 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1nc(C)c(C)nc1O 1130124021 ACQJMOKLCWCWPN-UHFFFAOYSA-N 307.354 -0.579 30 20 DBED C[C@H]1CC[C@@H](NC(=O)c2ncccn2)CN1CC(=O)NCC#N 1132376260 LXFAJPBCWAUQKR-NWDGAFQWSA-N 316.365 -0.301 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NCCN[C@@H]1CCCNC1=O 1134816734 IAGRAKWATLKZLF-OLZOCXBDSA-N 310.398 -0.558 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)CCc2cn[nH]c2)C1=O 1135049751 LTELXSWTSGLHHB-CYBMUJFWSA-N 305.382 -0.165 30 20 DBED C[C@H](C[C@@H](C)NC(=O)c1cn(C)c(O)n1)NCC(=O)NCC#N 1135387812 RDPGFDGJCZVTPU-NXEZZACHSA-N 322.369 -0.748 30 20 DBED C=CCOCCN1CCCO[C@@H](CNC(=O)c2cnn[nH]2)C1 1149936785 NVAFJIMZLUKMBM-LBPRGKRZSA-N 309.370 -0.172 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)C[C@H]1CCNC1=O 1153798740 BNIITWLWNHPPDI-CHWSQXEVSA-N 322.409 -0.911 30 20 DBED CC(C)Oc1ncccc1C(=O)NCCNCC(=O)NCC#N 1153921015 LAFBMAVGSUZHJH-UHFFFAOYSA-N 319.365 -0.172 30 20 DBED N#Cc1c[nH]c(C(=O)NCCCNCCN2C(=O)CCC2=O)c1 1156296577 RFTURAQCXJIWHA-UHFFFAOYSA-N 317.349 -0.255 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)c1n[nH]c(C)c1O 1156633845 CSKIJEPHAYRGKW-SNVBAGLBSA-N 307.354 -0.729 30 20 DBED C#CCN1CCC(CNC(=O)[C@@H]2CN(C)CCO2)(COC)CC1 1162187917 JDVYQIPYZSDXQD-HNNXBMFYSA-N 323.437 -0.205 30 20 DBED CC#CCNCC1(CCNC(=O)CCS(=O)(=O)NC)CC1 1164513850 JHKLCKMJPGWEBO-UHFFFAOYSA-N 315.439 -0.175 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)C[C@@H]1CCC(=O)N1 1168239257 JFCRUXUGBNYSQT-RYUDHWBXSA-N 310.398 -0.558 30 20 DBED C=CCNC(=O)CNCCCNC(=O)CNC(=O)C(C)(C)C 1175890422 VZXHSLGBIKQYCX-UHFFFAOYSA-N 312.414 -0.453 30 20 DBED C[C@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)c1cncs1 1178220952 GCPTYMCTBLMOSX-UWVGGRQHSA-N 307.379 -0.025 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)c2nc[nH]n2)[C@H]1C 1179739939 IMPQPDGPGPIMKU-VWYCJHECSA-N 306.370 -0.312 30 20 DBED CC#CCN[C@H]1CCN(C(=O)c2cn(C)c(=O)nc2O)[C@H]1C 1180121659 WIWLMUHUNQDERM-JQWIXIFHSA-N 304.350 -0.298 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)C[C@@H]2CCCCO2)C1 1181945129 ZZCGOYNRNFWASK-KGLIPLIRSA-N 307.394 -0.115 30 20 DBED C#CCNC[C@]1(C)CN(C(=O)CN2C(=O)CCC2=O)C[C@H]1C 1183357053 UDJYNLSIUFCBAK-MLGOLLRUSA-N 305.378 -0.157 30 20 DBED CC#CCN[C@@H]1CCN(C(=O)C[C@@]2(C)CCS(=O)(=O)N2)C1 1187394797 QJJNMIMEXWZMNI-TZMCWYRMSA-N 313.423 -0.328 30 20 DBED C#CCCCCC(=O)N[C@@H]1CN(CC(=O)N(C)CC)C[C@H]1O 1192287842 BRBCKFWMZYWXSB-ZIAGYGMSSA-N 309.410 -0.180 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2cnn(C)n2)C1 1192836966 FBRVEJOVKIUHKJ-NSHDSACASA-N 306.370 -0.736 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(CCc2ccns2)C[C@H]1O 1192878544 HTEPLKPUBWGEAC-ZIAGYGMSSA-N 323.418 -0.113 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2cnc(C)o2)C[C@H]1O 1192892275 WLBNDHPDBNSFPH-ZLKJLUDKSA-N 307.350 -0.317 30 20 DBED C=CC(C)(C)CC(=O)N[C@@H]1CN([C@H]2CCN(C)C2=O)C[C@H]1O 1193345117 LOQGDWPXUATSOS-FRRDWIJNSA-N 309.410 -0.019 30 20 DBED C#CCC1(C(=O)N[C@@H]2CN([C@H]3CCN(C)C3=O)C[C@H]2O)CCC1 1193710358 AIIHUAFIFBCNIQ-HZSPNIEDSA-N 319.405 -0.428 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)c2cn(C(C)C)cn2)C1 1194975529 IVXCJFIYPGGKBA-UKRRQHHQSA-N 320.393 -0.111 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)CCCCC(N)=O)CC1 1197730824 XRRZTFMYGPEQQY-UHFFFAOYSA-N 324.425 -0.131 30 20 DBED CC(F)(F)C(=O)N1CCCO[C@H](CNCC(=O)NCC#N)C1 1199683523 RTQLAHMNTFDWEF-SNVBAGLBSA-N 318.324 -0.512 30 20 DBED CC(=O)N1CC[C@H](C(=O)N2CCCO[C@@H](CNCC#N)C2)C1 1201957678 DXQZHVYPFJHYSE-KBPBESRZSA-N 308.382 -0.415 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)c2cccnn2)CC1 1203026311 DIRDXYHCKRFEIA-UHFFFAOYSA-N 301.350 -0.580 30 20 DBED N#CCNC(=O)CN[C@H]1C[C@H]2CC[C@H]1N(C(=O)c1cnon1)C2 1204806282 RXVHUBDFCDHEHA-JFGNBEQYSA-N 318.337 -0.708 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1208731564 PAVXGTGIHZFRCO-SYQHCUMBSA-N 320.393 -0.346 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)CCCCN(C)C 1210427017 MQQSHOWPLJOSBC-ZIAGYGMSSA-N 323.441 -0.205 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1211425377 LPQJTGNMLIYIGC-JHJVBQTASA-N 308.382 -0.346 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1CN([C@@H]2CCC(=O)NC2=O)C[C@H]1OC 1213268617 NVRNJUCVGBQZNW-IJLUTSLNSA-N 323.393 -0.181 30 20 DBED C=CCOCCN1C[C@@H](NC(=O)c2c[nH]c(=O)cn2)[C@H](OC)C1 1213338150 VCBSXAIHBTYOQQ-CHWSQXEVSA-N 322.365 -0.599 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)CC[C@H](C)OC)C[C@H]1C 1214479671 DSQGCKPLHRTAKR-HZSPNIEDSA-N 309.410 -0.013 30 20 DBED CCOCCO[C@@H](C)C(=O)N1CCO[C@@H]2CN(CC#N)C[C@@H]21 1219049405 MCXDKMLFEAPKDL-MELADBBJSA-N 311.382 -0.137 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(CC(=O)N[C@@H](C)C2CC2)C[C@@H]1O 1219541818 QZWWVCOMZMOBED-CFVMTHIKSA-N 321.421 -0.134 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2ccns2)C[C@@H]1O 1219604892 CIEMHGLSAWWETD-RTXFEEFZSA-N 309.391 -0.157 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)CCc2c(C)nc(O)nc2O)C1 1220104030 UDFQGMSORBLOSF-NEPJUHHUSA-N 322.365 -0.524 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)C(C)(C)C2CC2)C1 1220196155 FMORDEWDDLHGCC-BNOWGMLFSA-N 321.421 -0.278 30 20 DBED CC(C)N(C)C(=O)C1(C(=O)N[C@@H]2CN(CC#N)C[C@@H]2O)CC1 1220646703 JCVGFCRSEMFQLT-NEPJUHHUSA-N 308.382 -0.682 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CCN(C(=O)[C@H]3CCCO3)C[C@@H]21 1222214682 LAABULQOQTXSQM-QLFBSQMISA-N 319.405 -0.162 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)CCn2cncn2)CC1 1226077360 NAYGRHQPPQMURI-UHFFFAOYSA-N 320.397 -0.449 30 20 DBED C#CCO[C@H](C)C(=O)NCC[C@H]1CN(CC)CCS1(=O)=O 1230461603 AGWXMYIERQAQDB-OLZOCXBDSA-N 316.423 -0.350 30 20 DBED COCC#CCN1CC[C@H]1CN(C)C(=O)CCn1ccnn1 1233906047 CVGZKCDKXGYRHH-AWEZNQCLSA-N 305.382 -0.149 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C[C@H]1CCN1Cc1cnn(C)n1 1234214340 AFGOBZDTCRGGGQ-GXTWGEPZSA-N 305.382 -0.114 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1C[C@H](C)C[C@@H]1C 1261180434 CXZGDYZIMIPGKO-MNOVXSKESA-N 302.396 -0.040 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H](C)CCNC(=O)c1cn(C)c(O)n1 1267144160 TZOVMVYVWMUHNZ-WDEREUQCSA-N 323.397 -0.086 30 20 DBED CC(=O)NC[C@@H]1CN(S(=O)(=O)CCCCC#N)CCO1 1318668887 UUNRJQHNMYBQSL-GFCCVEGCSA-N 303.384 -0.153 30 20 DBED Cc1cnc(CNC(=O)C(=O)N2CC[C@](O)(CC#N)C2)s1 1326137390 CWJOQQZBKSBDAY-CYBMUJFWSA-N 308.363 -0.055 30 20 DBED C#CCCCCNC(=O)C(=O)N1CCc2nnc(O)cc2C1 1326758214 VLSIZLUTKOKCBR-UHFFFAOYSA-N 302.334 -0.013 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N[C@@H](C)CO[C@H]1CCOC1 1327108407 RZHGRNZUJVVKMB-TUAOUCFPSA-N 300.355 -0.386 30 20 DBED CS(=O)(=O)N=S1(=O)CCN(C(=O)CCCC#N)CC1 1329309297 RUMUZKZPGRYQBE-UHFFFAOYSA-N 307.397 -0.050 30 20 DBED CC[C@@H]1COCCN1C(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1330320541 YLAUNLQLXAYFEG-OCCSQVGLSA-N 320.393 -0.177 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N(CCOC)C1CCOCC1 1330733624 VHDHEKANHACBHI-LBPRGKRZSA-N 314.382 -0.042 30 20 DBED C[C@H]1CN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)CCN1 1332039259 YHGWBCQRZZNTMB-WCQYABFASA-N 305.382 -0.995 30 20 DBED COC[C@@H](NC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1)C1CC1 1332617997 VGBBHWGVYAVNEW-ZIAGYGMSSA-N 320.393 -0.274 30 20 DBED C=CCn1c(CO)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1340541028 SXHUVUUWLBVFCW-NSHDSACASA-N 306.370 -0.003 30 20 DBED C=C(C)COCCn1nnnc1N(C)[C@@H]1CCS(=O)(=O)C1 1344069700 NHXOYECSCXFVHK-LLVKDONJSA-N 315.399 -0.111 30 20 DBED C=CCn1c([C@@H]2CCNC(=O)C2)nnc1N1CCNC(=O)C1 1351860456 IMIDGDGBZNGKNO-SNVBAGLBSA-N 304.354 -0.606 30 20 DBED CC(C)(O)[C@@H]1CCCN1C(=O)CCn1cc(C#N)c(O)nc1=O 1362641511 KSRYCJJKUKDBDO-NSHDSACASA-N 320.349 -0.027 30 20 DBED N#Cc1ccc(NCC(=O)N2CC[C@@H](CS(N)(=O)=O)C2)nc1 1364370555 FGNBGFQGOBCAMQ-LLVKDONJSA-N 323.378 -0.498 30 20 DBED C=C(Cl)CNC[C@H](C)NC(=O)c1cn(C)c(=O)nc1O 1367771896 MPJWHTJBPLXGRY-QMMMGPOBSA-N 300.746 -0.054 30 20 DBED CCC(=O)NCC(=O)N1CC(NC(=O)c2cc(C#N)c[nH]2)C1 1387706698 BBJQEKKHEVBQEJ-UHFFFAOYSA-N 303.322 -0.647 30 20 DBED CCOc1cc(C(=O)NC[C@H](O)CNC(=O)[C@@H](C)C#N)on1 1389114355 NAYPJESYQRVEIS-DTWKUNHWSA-N 310.310 -0.560 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1c2c(nn1C)CCC2 1389123232 LPNWEKJKZMURMJ-NXEZZACHSA-N 319.365 -0.725 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCCC(=O)N1)NC(=O)c1cc(C#N)c[nH]1 1392746835 AGGCZDMHGBMGEE-GXSJLCMTSA-N 317.349 -0.210 30 20 DBED C[C@@H](CNC(=O)[C@H]1CN(C)CCO1)NC(=O)c1cc(C#N)c[nH]1 1397405277 XTNTZPWTYBVWRO-GXFFZTMASA-N 319.365 -0.549 30 20 DBED COc1coc(CNC[C@@H](O)CNC(=O)[C@@H](C)C#N)cc1=O 1406214919 LTOPMRQQCHOXOX-VHSXEESVSA-N 309.322 -0.625 30 20 DBED CC(=O)N(C)CC(=O)NCC1CCN(C(=O)[C@H](C)C#N)CC1 1407358518 CTRIMPXOBAVSFC-LLVKDONJSA-N 308.382 -0.021 30 20 DBED CNC(=O)NC(=O)[C@@H](C)N[C@H]1C[C@@H](CNC(=O)[C@@H](C)C#N)C1 1418615514 LQKVQOHJPFLLJI-ZRUFSTJUSA-N 309.370 -0.525 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](C)CNC(=O)C(C)(C)N1CCOCC1 1430669287 UTIJVXRVNPSPEG-NWDGAFQWSA-N 310.398 -0.122 30 20 DBED C[C@H](C#N)C(=O)N1CCN(Cc2nnc3n2CCOC3)CC1 1434854704 BYJXGTFFYGXMRV-LLVKDONJSA-N 304.354 -0.388 30 20 DBED CC(C)S(=O)(=O)CC(=O)NC[C@H](C)N(C)C(=O)[C@@H](C)C#N 1449919527 CLUFTOVOEVRHAT-QWRGUYRKSA-N 317.411 -0.068 30 20 DBED COC[C@@H](OC)C(=O)NCC1(NC(=O)c2ccc(C#N)[nH]2)CC1 1453548177 YXPYFGXQLAYQDB-GFCCVEGCSA-N 320.349 -0.074 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)[C@H]2CCCC(=O)N2)C1 1479956273 WHXQXSJIPOGDMH-VXGBXAGGSA-N 308.382 -0.852 30 20 DBED C#CCNC(=O)CN1CCC[C@H](NC(=O)c2cn(C)c(O)n2)C1 1481537936 RIPRSAOQRNWQOF-NSHDSACASA-N 319.365 -0.931 30 20 DBED C[C@@H](C(=O)NCC1(NC(=O)[C@H](C)C#N)CC1)S(C)(=O)=O 1506134244 JDMXIPNGBBMHIA-BDAKNGLRSA-N 301.368 -0.656 30 20 DBED C#CCN(C)c1nnc(C2=NO[C@H](CO)C2)n1C[C@@H]1CCOC1 1519601026 YXIXJUPYCWHWGY-RYUDHWBXSA-N 319.365 -0.131 30 20 DBED C[C@@](C#N)(CC(=O)O)C(=O)NCCS(=O)(=O)N1CCCC1 1573362553 DERCZZQLYHXXSC-LBPRGKRZSA-N 317.367 -0.467 30 20 DBED C[C@H](C#N)C(=O)NC1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1573577261 OGUIBCOBMOLNNY-SSDOTTSWSA-N 314.309 -0.705 30 20 DBED N#Cc1nc(N2CCO[C@]3(CCOC3)C2)cnc1-c1nn[nH]n1 1581879571 PXESXTNYTXXCKL-CYBMUJFWSA-N 314.309 -0.476 30 20 DBED Cc1cc(NC(=O)C(=O)NC2(C(=O)O)CC2)n(CCC#N)n1 1600246497 SBBKVLIACOGXGQ-UHFFFAOYSA-N 305.294 -0.223 30 20 DBED C=C(CN(C)C)C(=O)NC1(CC(=O)O)CCS(=O)(=O)CC1 1602788338 HHDAAFYNHFPXGK-UHFFFAOYSA-N 318.395 -0.358 30 20 DBED N#CCNC(=O)CN1CC[C@H](NC(=O)c2csc(O)n2)C1 1661010604 BWNLUBKZZLIUHM-QMMMGPOBSA-N 309.351 -0.707 30 20 DBED C=CCNC(=O)[C@H](C)N(C)CCCNC(=O)[C@H]1CCC(=O)NC1 1752007345 CZJWZEZIKDHISI-STQMWFEESA-N 324.425 -0.359 30 20 DBED C=C(Cl)CN1CCN(CCCNC(=O)CNC(C)=O)CC1 1752334313 IETLFTNAKHEFNP-UHFFFAOYSA-N 316.833 -0.001 30 20 DBED C#CCNC(=O)CN[C@H](C)CNC(=O)c1ncc2n1CCCC2 1752920006 PQMRBKDGAYORCG-GFCCVEGCSA-N 317.393 -0.323 30 20 DBED Cc1cn(C)nc1C(=O)NC[C@@H]1CCCN1CC(=O)NCC#N 1753104214 FGTOSZFOLODPTK-LBPRGKRZSA-N 318.381 -0.438 30 20 DBED COCC1(C(=O)NC[C@H]2CCN(CC(=O)NCC#N)C2)CCC1 1753130928 JDXSUYPHCUBRMN-CYBMUJFWSA-N 322.409 -0.119 30 20 DBED C=C(C)CN(CCC)CCNC(=O)Cn1ccc(=O)n(C)c1=O 1753144895 MSYJDFLOYMDXDS-UHFFFAOYSA-N 322.409 -0.049 30 20 DBED C#CCNC(=O)[C@H](C)N(CCNC(=O)C1=COCCO1)C1CC1 1753152075 WLNUFJJIYDGUJU-LBPRGKRZSA-N 321.377 -0.407 30 20 DBED C#CCNC(=O)[C@H](C)N1CC(CNC(=O)CC[C@@H](C)OC)C1 1753400948 OBDFNDPUBNVZHS-OLZOCXBDSA-N 309.410 -0.013 30 20 DBED Cc1nscc1C(=O)N1C[C@@H]2C[C@H]1CN2CC(=O)NCC#N 1753419213 GXDKTXFAFYAAFE-QWRGUYRKSA-N 319.390 -0.010 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](C)CCNCCCN1C(=O)CNC1=O 1753953500 OFTXWTLCLIHFTN-WDEREUQCSA-N 309.370 -0.428 30 20 DBED CC#CCNC[C@H](NC(=O)CCc1nnc(O)nc1O)C1CC1 1754444439 GTJXXZMBASRLMI-LBPRGKRZSA-N 319.365 -0.277 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CCN1CCN1C(=O)CCC1=O 1754484326 ZGNQNFWPEJFVLT-ZDUSSCGKSA-N 305.378 -0.015 30 20 DBED COCC#CCNC1(CNC(=O)c2cn(C)c(=O)n2C)CC1 1754535435 IECLONQBHWTMAP-UHFFFAOYSA-N 306.366 -0.774 30 20 DBED Cn1ccc(=O)c(C(=O)NCC2(NCC#N)CCOCC2)c1 1754738842 OEQZXDRKNBHPLE-UHFFFAOYSA-N 304.350 -0.223 30 20 DBED CC(C)(C)C(=O)NCCCC(=O)NCC1(O)CN(CC#N)C1 1754771699 JXHCVRPHLTUDGD-UHFFFAOYSA-N 310.398 -0.385 30 20 DBED N#CCN1CC(O)(CNC(=O)[C@@H]2CCN(CC(F)(F)F)C2)C1 1754772266 CYFTYGHYYMSURU-SNVBAGLBSA-N 320.315 -0.443 30 20 DBED C#CCCN1CC(O)(CNC(=O)[C@H](C)OC[C@H]2CCCO2)C1 1754779719 GTIJMNZFUILDIC-UONOGXRCSA-N 310.394 -0.243 30 20 DBED COCC#CCN(C)CCCN(C)C(=O)CNC(=O)C1CC1 1755035370 QWWLDAGEIBHAND-UHFFFAOYSA-N 309.410 -0.057 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1COC2(C1)CN(CC#CCOC)C2 1755059187 OQJMUUJJVKIGEG-HOCLYGCPSA-N 322.405 -0.077 30 20 DBED C#Cc1ccc(C(=O)N[C@H](C)[C@@H](C)NCC(=O)NC(N)=O)cn1 1755263588 NRCPBXUJLAWXSX-NXEZZACHSA-N 317.349 -0.646 30 20 DBED C#CCNCCCOC1CCN(C(=O)Cc2nc[nH]n2)CC1 1755347961 PLHWJUXUJBUOMZ-UHFFFAOYSA-N 305.382 -0.032 30 20 DBED CS(=O)(=O)NCCC(=O)NC[C@H]1CCCCCN1CC#N 1755364543 WGGDIGHKPBAIBM-GFCCVEGCSA-N 316.427 -0.190 30 20 DBED N#CCNC(=O)CN1C[C@H]2[C@H](CNC(=O)C[C@@H]3CCOC3)[C@H]2C1 1755420369 LMPPNNITUDWZPB-XDQVBPFNSA-N 320.393 -0.653 30 20 DBED CCc1c(C(=O)NC[C@@H](CO)NCC#CCOC)ccn1C 1755638932 GKPRZGMCZHCABW-ZDUSSCGKSA-N 307.394 -0.082 30 20 DBED N#CCN1CC[C@]2(NC(=O)CC[C@@H]3NC(=O)NC3=O)CCC[C@@H]12 1755704419 LLACOXVHRGJBNX-FIXISWKDSA-N 319.365 -0.389 30 20 DBED C#CCNC(=O)CN1CCC[C@@H](NC(=O)Cc2cnc[nH]2)[C@H]1C 1755724174 UHCBHSSHLAJMOO-TZMCWYRMSA-N 317.393 -0.329 30 20 DBED C#CCCN(C)C[C@@H](O)CN(C)C(=O)c1ccc(C(N)=O)[nH]1 1755805365 NGTMPYCJZBKEHA-LLVKDONJSA-N 306.366 -0.498 30 20 DBED C#CCN(C)C[C@@H](O)CN(C)C(=O)CCn1cnccc1=O 1755806427 FJDRZYKZPDTKAH-CYBMUJFWSA-N 306.366 -0.982 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H](C)CN(C)C(=O)C1=COCCO1 1756427502 LKMLZKWXKVLGSD-NEPJUHHUSA-N 310.350 -0.124 30 20 DBED C=C1CC(C)(C(=O)N[C@H](CO)CNC(=O)CNC(=O)CC)C1 1756520436 WSVKHIGHBIZKKT-NSHDSACASA-N 311.382 -0.538 30 20 DBED C#CCCCC(=O)N[C@@H](CO)CNC(=O)c1c[nH]nc1CC 1756531688 FBUJUGIULCDUBY-LLVKDONJSA-N 306.366 -0.018 30 20 DBED C#Cc1ccc(C(=O)NC[C@H](CO)NC(=O)CCOC)cn1 1756539192 ZEXXVDFUMLVCOD-CYBMUJFWSA-N 305.334 -0.694 30 20 DBED C=C[C@](C)(CC)C(=O)N[C@@H](CO)CNC(=O)c1c[nH]c(=O)cn1 1756544616 BOLJCPPJUWCPGN-MEBBXXQBSA-N 322.365 -0.421 30 20 DBED CC#CCCCC(=O)N[C@@H](CO)CNC(=O)c1cccnn1 1756546002 VGQGPHXMSDGVTR-GFCCVEGCSA-N 304.350 -0.123 30 20 DBED CNC(=O)CC(=O)NC1CC(N(C)C(=O)CSCC#N)C1 1756733456 RNHNXXVCAQJPIM-UHFFFAOYSA-N 312.395 -0.515 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(C(=O)C[C@@](C)(O)C=C)C[C@H]1O 1756997118 GLYKGWNNLHAHPT-IOASZLSFSA-N 324.377 -0.959 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](NC(=O)CCC=C)[C@H](OC)C1 1757120637 GEUMVSLNLJSOIK-CHWSQXEVSA-N 321.377 -0.566 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)Cc1cc(C)on1)CCO2 1783054483 WWGWFVSKDOCGKS-MRXNPFEDSA-N 317.345 -0.011 30 20 DBED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccn(C)n3)[C@H]2C1 1786086862 ZQVBLHJMYXCJGE-OBJOEFQTSA-N 316.361 -0.353 30 20 DBED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C(/C)C(=O)O)[C@H]2C1 1792168067 YGRGIYRQBDUCFQ-QMFTVASPSA-N 320.345 -0.370 30 20 DBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCOC3)C2)C1 1839810993 AFKZXEHVBWJDTG-CZUORRHYSA-N 322.361 -0.888 30 20 DBED C[C@H](C(=O)N1CCCC12CN(C(=O)CC#N)C2)n1ccnn1 1845812428 MVNBGCRPJVHATF-LLVKDONJSA-N 302.338 -0.044 30 20 DBED C/C(=C/C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1)C(=O)O 1846197404 GSGWSTXNSYJJMN-YFHOEESVSA-N 320.301 -0.691 30 20 DBED COC(=O)NCC(=O)N1CC2(CCCN2C(=O)[C@H](C)S)C1 1846371221 IGWACBHCYKMKIM-VIFPVBQESA-N 315.395 -0.136 30 20 DBED C=CCNC(=O)NC(=O)CN1CCN(Cc2noc(C)n2)CC1 74311136 CUVQEQCLIQZQAH-UHFFFAOYSA-N 322.369 -0.493 30 20 DBED CCc1noc([C@H](C)N2CCN(CC(=O)NCC#N)CC2)n1 108867607 KPUFQPQMIRXWRH-NSHDSACASA-N 306.370 -0.050 30 20 DBED COc1ccc(CN2CCN3C(=O)C(=O)NC[C@@H]3C2)cc1C#N 135156960 GCPQAUHFAYYVHM-CYBMUJFWSA-N 314.345 -0.291 30 20 DBED CS(=O)(=O)N1CC[C@@H](C/N=C(\N)NC[C@H]2CCCO2)C1 261673397 CCXADEYKHIQHIW-WDEREUQCSA-N 304.416 -0.649 30 20 DBED N#Cc1ccc2c(c1)N(C(=O)C(=O)NCCn1cncn1)CC2 270179728 LQPJLQBMIRXIPC-UHFFFAOYSA-N 310.317 -0.145 30 20 DBED CN(CCN1CCOCC1)S(=O)(=O)c1cccnc1C#N 277048562 PYYPYCBXMXMAFF-UHFFFAOYSA-N 310.379 -0.094 30 20 DBED CCOc1ccc(C#N)cc1NC(=O)C(=O)N1C[C@H](O)[C@@H](O)C1 277632122 XGAGTJGHUPYBAX-RYUDHWBXSA-N 319.317 -0.541 30 20 DBED C=CCCOCCNC(=O)C(=O)NCCN1CCSCC1 289343022 FNDQGBOBQQFZEK-UHFFFAOYSA-N 315.439 -0.140 30 20 DBED C#CCN(C)CCCNC(=O)CCC(=O)NCCNC(C)=O 293979426 MSPKTOWMCKAVOR-UHFFFAOYSA-N 310.398 -0.910 30 20 DBED CN1CCO[C@@H](/C(O)=N/CCN2CCS(=O)(=O)CC2)C1 329840422 JPKZTNJLWOPCBC-LLVKDONJSA-N 305.400 -0.996 30 20 DBED CCN1CCN(C/C(O)=N/[C@H](C)c2ncnn2C)C(=O)C1=O 330022333 ZJDQLMMUUHUVBQ-SECBINFHSA-N 308.342 -0.477 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1CC[C@@H]([C@@H](C)O)C1 330369468 BPYWUZSVDFTBLQ-VXGBXAGGSA-N 305.400 -0.204 30 20 DBED COC(=O)[C@H](O)C(C)(C)NS(=O)(=O)N(C)C[C@@H](C)C#N 332499326 ICRZPAHGQOPPSK-IUCAKERBSA-N 307.372 -0.775 30 20 DBED C=CC[C@@H](CO)CNS(=O)(=O)CCNS(=O)(=O)CC 341186515 KQCSOGISCLGAKY-SNVBAGLBSA-N 314.429 -0.970 30 20 DBED N#Cc1cccc(NC(=O)C(=O)NCC(=O)N2CCOCC2)c1 345686003 RLYLUFVSCZOZOM-UHFFFAOYSA-N 316.317 -0.528 30 20 DBED CC(C)N(C)S(=O)(=O)CCCS(=O)(=O)N(C)CC#N 349542909 YPKGWKCWACXDEQ-UHFFFAOYSA-N 311.429 -0.168 30 20 DBED CCOCCOC[C@@H](O)CNS(=O)(=O)CC1(C#N)CC1 359959249 QSIZJATUJFUZPG-NSHDSACASA-N 306.384 -0.376 30 20 DBED C=CCN1CC[C@H](N2CCN(S(C)(=O)=O)[C@@H](C)C2)C1=O 407957271 MVEFWDFGSAFIPT-RYUDHWBXSA-N 301.412 -0.261 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)CCc2cncn2C)CC1 491066784 FBXLGHFLKCBWNR-UHFFFAOYSA-N 317.393 -0.754 30 20 DBED C#CCNC(=O)CN1CCN(Cc2nc([C@H](C)OC)no2)CC1 491723744 DGARSZUCCRBOHF-LBPRGKRZSA-N 321.381 -0.356 30 20 DBED Cc1c(NC(=O)NCC(=O)NCC#N)cccc1-n1cnnn1 554345901 SFPTXJPEHJWMRI-UHFFFAOYSA-N 314.309 -0.268 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@H](N)c2cscn2)CC1 563718058 QBGWGTNWLGQXAJ-CYBMUJFWSA-N 323.422 -0.411 30 20 DBED CNCCCN(C)C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 567589872 IGEMTACTCUIYJX-UHFFFAOYSA-N 324.406 -0.096 30 20 DBED Cn1cc(C[C@H]2CCN(C(=O)NCC(=O)NCC#N)C2)cn1 571909811 OFIKTUGODBSOKR-LLVKDONJSA-N 304.354 -0.366 30 20 DBED CC[C@@H](CC#N)NC(=O)C(=O)Nc1ccn(C(C)(C)C(=O)O)n1 595238840 YVTOAFCLFRTQHE-VIFPVBQESA-N 321.337 0.450 30 20 DBED CNC(=O)CN(C)c1cc(C)nc(N(C)CC(=O)NC)c1C#N 596062384 NGHGOEIXPYJUNG-UHFFFAOYSA-N 318.381 -0.374 30 20 DBED CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)COc1ccc(C#N)cc1 598029870 SXOQRZAHNKXCCM-OLZOCXBDSA-N 324.358 -0.135 30 20 DBED C[C@@H]1CCCN(C(=O)C(=O)N2CCN(CCC#N)CC2)[C@H]1CN 601585009 VHUYKQWEXJDGJE-KGLIPLIRSA-N 321.425 -0.370 30 20 DBED C=C(C)CN(CC)C(=O)C(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1OC 612195370 CZOMMJAOLNPKHE-MNOVXSKESA-N 318.395 -0.661 30 20 DBED CS(=O)(=O)N1CC[C@@H](CNC(=O)N2CC[C@@](F)(C#N)C2)C1 615547313 FXKTWRZMNLDOOR-CMPLNLGQSA-N 318.374 -0.085 30 20 DBED N#CCSCC(=O)N1CCC[C@H](CNS(N)(=O)=O)C1 706100102 ZVXAXZGESSQOAF-SECBINFHSA-N 306.413 -0.725 30 20 DBED N#CCNC(=O)COC(=O)C[C@H]1Oc2ccccc2NC1=O 731239081 FWAKJTOIZUHQMN-LLVKDONJSA-N 303.274 -0.041 30 20 DBED C#CCNC(=O)c1ccc(-n2ncc(-c3nn[nH]n3)c2N)cc1 735381583 NLVWTCCWICYBFK-UHFFFAOYSA-N 308.305 -0.002 30 20 DBED COc1ncc(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[nH]2)cn1 737163610 KCICSTZMHCWFKU-UHFFFAOYSA-N 312.253 -0.488 30 20 DBED C#CCN1CCN(C(=O)CCCN2C(=O)NC(C)(C)C2=O)CC1 744425623 YIKARLYASSXALG-UHFFFAOYSA-N 320.393 -0.126 30 20 DBED C#CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 753897757 ZFEBTCPBEWTSAU-UHFFFAOYSA-N 308.359 -0.043 30 20 DBED COC[C@@H](C#N)OC(=O)CNS(=O)(=O)c1ccccc1C#N 785139242 OQPYTGZWNMTIFM-LLVKDONJSA-N 323.330 -0.082 30 20 DBED COCCN(CCC#N)S(=O)(=O)NC1(C(N)=O)CCCC1 800055295 JFDRESZFIHXQPA-UHFFFAOYSA-N 318.399 -0.519 30 20 DBED COC(=O)C[C@@H](NS(=O)(=O)N1CCO[C@H](C#N)C1)C1CC1 800076546 QXVVPPJCNZIFLB-GHMZBOCLSA-N 317.367 -0.613 30 20 DBED C#CCC[C@H](O)CNS(=O)(=O)N(CCC#N)CCOC 800139798 WNZMLRUJOOUXFL-LBPRGKRZSA-N 303.384 -0.543 30 20 DBED C#CCCCNC(=O)C(=O)N1CCN(c2nc(N)ns2)CC1 806910666 AXTLCIIYCUGMHF-UHFFFAOYSA-N 322.394 -0.702 30 20 DBED CON=CC(=O)NCc1ccc(OC)c(S(N)(=O)=O)c1 811543448 VZFLHUSVONQZIO-UHFFFAOYSA-N 301.324 -0.409 30 20 DBED C=CCCn1cc(C(=O)NS(=O)(=O)c2cnn(C)c2)nn1 819937196 ONYBXVUWOAUANU-UHFFFAOYSA-N 310.339 -0.294 30 20 DBED CNS(=O)(=O)[C@H]1CCN(C(=O)[C@@](C)(C#N)CC(=O)O)C1 820641698 XXRXWKDJVHADDJ-GZMMTYOYSA-N 303.340 -0.859 30 20 DBED CNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CNC[C@@H]2C#N)c1 834512648 ZSKWAESKBXRPBR-CMPLNLGQSA-N 308.363 -0.564 30 20 DBED C#C[C@@H](NC(=O)C(=O)N1C[C@@H](C)[C@H](C(=O)OC)C1)[C@@H]1CCCO1 834816945 CUDPROIDQIJGSH-LPWJVIDDSA-N 322.361 -0.449 30 20 DBED C#CCNS(=O)(=O)N1CCN(CCC2(O)CCC2)CC1 839527956 MBVQJOIKSBFJMU-UHFFFAOYSA-N 301.412 -0.623 30 20 DBED CC(=O)NCC(C)(C)C(=O)NS(=O)(=O)c1cncc(C#N)c1 845577236 XSYXEPHAGCKWGC-UHFFFAOYSA-N 324.362 -0.080 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2ccc(OC)o2)CC1 847436633 RDCJIPBMVGSPLN-UHFFFAOYSA-N 305.334 -0.205 30 20 DBED C=CCN(C(=O)[C@H]1CC[C@@H](C(=O)O)O1)[C@H]1CCS(=O)(=O)C1 864105605 ILXUQYNABPXGJI-AXFHLTTASA-N 317.363 -0.180 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)C[C@@H]2CCN(C)C2)CC1 874382410 CUXGGULHYSMLQZ-HNNXBMFYSA-N 320.437 -0.388 30 20 DBED C#CC[C@@H](CCOC)NC(=O)N1CCO[C@@H](CNC(C)=O)C1 875920231 YIRGHOMFRLKESY-KBPBESRZSA-N 311.382 -0.039 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2[C@H]3CCC(=O)[C@H]32)CC1 906581301 WHSBKRFFDSEQRN-VBNZEHGJSA-N 317.389 -0.505 30 20 DBED C#CC1(O)CN(S(=O)(=O)c2cccc(C(=O)N(C)C)c2)C1 908228624 FSIYMVMFQRJJCO-UHFFFAOYSA-N 308.359 -0.243 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CCCCN(C(=O)C(N)=O)C2)c1 943164583 JHYBBAQEVIGQDQ-SNVBAGLBSA-N 303.322 -0.517 30 20 DBED O=C1CC[C@H](C(=O)NC[C@@H]2CN(C(=O)C#CC3CC3)CCO2)N1 944522167 WSXAROIZVXMPBV-CHWSQXEVSA-N 319.361 -0.978 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)C23CCN(CC2)C3)C1 944683428 ZXQCDPKYRPITPL-OLZOCXBDSA-N 320.393 -0.415 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1cn[nH]c1 948934017 QFSINNSCWZINSP-KBPBESRZSA-N 315.377 -0.162 30 20 DBED CC(=O)N1CC[C@@H](C(=O)NC[C@H]2CCN2C(=O)C#CC2CC2)C1 951527580 VPQUITKVUBYEOS-HUUCEWRRSA-N 317.389 -0.015 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@]2(CCN(C(=O)Cn3cncn3)C2)C1 953210099 FPWSJKPRJSDBMM-IUODEOHRSA-N 316.365 -0.111 30 20 DBED Cc1c(C(=O)NC[C@@H]2CN(CC#N)C[C@@H]2O)nnn1C(C)C 958549469 XIWRCCJFUFOHMT-NEPJUHHUSA-N 306.370 -0.287 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C2=COCCC2)C1 958729530 PBZQTBATRXURRQ-DRZSPHRISA-N 307.350 -0.130 30 20 DBED CC#CCN1C[C@H](O)[C@H](CNC(=O)c2nn(CC)nc2C)C1 958744644 RVTYPRJEFOAEFJ-OLZOCXBDSA-N 305.382 -0.348 30 20 DBED C=C(C)C(C)(C)C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)C(N)=O 960871547 VWFGKTFJLBFWAP-WDEREUQCSA-N 309.366 -0.488 30 20 DBED CCc1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)no1 969340788 JBPWSNIXEKSDPG-AXTRIDKLSA-N 306.322 -0.302 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnn(C)n1 969386945 RYUVGPPQPIDWMK-GARJFASQSA-N 302.338 -0.210 30 20 DBED C=C(Br)CN[C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 969766125 IZGOYWCMSMENQN-RKDXNWHRSA-N 317.187 -0.233 30 20 DBED CC#CCN1CCO[C@@]2(CCN(C(=O)[C@@H]3CCC(=O)NC3)C2)C1 972443103 DTCJLCLMDGTXRA-PBHICJAKSA-N 319.405 -0.161 30 20 DBED C=CCn1cc(C(=O)N[C@H]2[C@@H]3CN(C(=O)[C@H](C)OC)C[C@@H]32)nn1 976530203 JZGWJCNTYLNBIN-MEWQQHAOSA-N 319.365 -0.314 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H]2[C@H](NC(=O)[C@H]3CCNC3=O)[C@H]2C1 976955171 NYKHNHQORVWLGK-NNYUYHANSA-N 305.378 -0.092 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]1CN(C)C(=O)c1c[nH]c(C(N)=O)c1 977746607 XUZZZLWGBZKXFE-GXSJLCMTSA-N 317.349 -0.054 30 20 DBED C#CCCN1C[C@@H]2C(CNC(=O)[C@@H]3CCCS3(=O)=O)[C@H]2C1 979069926 FNSFNPATGUFCOP-MCIONIFRSA-N 310.419 -0.119 30 20 DBED N#Cc1cc(C(=O)N2CC[C@H](CNC(=O)c3cnn[nH]3)C2)c[nH]1 982668126 MIHUJLSMUVGOSO-SECBINFHSA-N 313.321 -0.103 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2CCC[C@@H](NC(=O)C(N)=O)C2)c1 983706495 YAWBHVJTOGMSAQ-CHWSQXEVSA-N 314.345 -0.295 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)Cn2cccn2)C1 990242354 QEPMAVMQOXFRQM-OLZOCXBDSA-N 304.350 -0.199 30 20 DBED N#Cc1ccc(C(=O)N2CCC(N[C@H]3CCNC3=O)CC2)[nH]1 991241640 MWNBOKNQOZWEQG-LBPRGKRZSA-N 301.350 -0.031 30 20 DBED Cn1cnn(CC(=O)N[C@]23CCC[C@@H]2N(CC#N)CC3)c1=O 991477945 ZDDYTEXYIBVPCM-FZMZJTMJSA-N 304.354 -0.781 30 20 DBED O=C(NC1CN(C(=O)C#CC2CC2)C1)[C@H]1CN2CCC[C@@H]2CO1 993579818 NNGLOONWJKPKOT-HUUCEWRRSA-N 317.389 -0.410 30 20 DBED C#Cc1ccc(C(=O)N2CC(NC(=O)c3cncnc3O)C2)cn1 994431143 JLYGNLAKVPUPQC-UHFFFAOYSA-N 323.312 -0.187 30 20 DBED NC(=O)c1cc(C(=O)NC2CN(C(=O)C#CC3CC3)C2)co1 996310965 RAGXENURXZXZTC-UHFFFAOYSA-N 301.302 -0.268 30 20 DBED C[C@H](C#N)C(=O)N1CC(NC(=O)[C@@H]2CCc3nncn3CC2)C1 997010562 FMPJNHLTCJIYLX-GHMZBOCLSA-N 316.365 -0.283 30 20 DBED C#CCN[C@H]1CCCN(C(=O)CN2C(=O)CC(C)(C)C2=O)C1 999155057 VLINUUFLNJOZGW-LBPRGKRZSA-N 305.378 -0.015 30 20 DBED CC(=O)N1CC[C@@](C)(C(=O)NC2CN(C(=O)[C@@H](C)C#N)C2)C1 999701161 FGCAGBRVELKALK-ZUZCIYMTSA-N 306.366 -0.268 30 20 DBED N#Cc1ccc(C(=O)NCC2CN(C(=O)Cn3ccnc3)C2)[nH]1 1001463157 NTHDUFIKXBLNTI-UHFFFAOYSA-N 312.333 -0.029 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CN(C(=O)CC(N)=O)C1 1002192504 HINBOGHMBXGQBX-FZMZJTMJSA-N 309.366 -0.582 30 20 DBED CC(=O)N1CC(C(=O)N[C@H](C)C2CN(C(=O)[C@H](C)C#N)C2)C1 1005981413 ZZIIHLJDZBIPFU-NXEZZACHSA-N 306.366 -0.413 30 20 DBED C=CCn1cccc1C(=O)N1CCN(C(=O)CC(N)=O)CC1 1010802418 DPTJSAKAFVUTCI-UHFFFAOYSA-N 304.350 -0.166 30 20 DBED N#Cc1ccc(C(=O)N2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)[nH]1 1011017059 STBXACGVZCPZLU-ZYHUDNBSSA-N 317.305 -0.164 30 20 DBED C[C@H]1[C@@H](NC(=O)c2ncn(C)n2)CCN1C(=O)C#CC1CC1 1011740316 ZVIKSGSGVUAEIY-JQWIXIFHSA-N 301.350 -0.052 30 20 DBED O=C(NC1[C@H]2CN(C(=O)C#CC3CC3)C[C@H]12)C1CS(=O)(=O)C1 1013147793 GNLZVXUPUCAWRE-RYUDHWBXSA-N 322.386 -0.983 30 20 DBED Cc1nc(C(=O)N[C@@H]2CCN(CC#N)C2)nn1-c1nc[nH]n1 1015454033 AHCZUHFCQRZVPD-SECBINFHSA-N 301.314 -0.979 30 20 DBED C=CCN1CC[C@H](N2CC[C@H](NC(=O)Cn3cncn3)C2)C1=O 1016193279 VUUDCKLJGPSWCD-STQMWFEESA-N 318.381 -0.745 30 20 DBED C#CCCN1CCC2(CC1)C[C@@H]2NC(=O)Cn1cnnc1O 1016582961 CJGAGCAYWKCTQA-LBPRGKRZSA-N 303.366 -0.022 30 20 DBED C[C@H](C#N)C(=O)N1CCC2(CN(C(=O)c3cnn(C)c3N)C2)C1 1018959671 HDFOOBIKNIIJHL-SNVBAGLBSA-N 316.365 -0.164 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)C2CC(F)(F)C2)C1 1023347887 PVHIAZUNDVVWEV-FXBDTBDDSA-N 301.293 -0.121 30 20 DBED CC#CCN1CCC[C@@H](CNC(=O)C2CC(=O)NC(=O)C2)C1 1023644711 QVWMVVHCCCCBRL-LBPRGKRZSA-N 305.378 -0.109 30 20 DBED C#CCN1CCCC[C@@H]1CNC(=O)c1cn(C)c(=O)nc1O 1024795663 PXHPUYHETKRJEZ-LLVKDONJSA-N 304.350 -0.297 30 20 DBED N#CCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(S(N)(=O)=O)o1 1032496736 OFDSOWYMTMVBKR-IUCAKERBSA-N 310.335 -0.651 30 20 DBED C#CCN1CC[C@H](N(C)C(=O)[C@H]2C[C@H](OC)CN2C(C)=O)C1 1033292725 GFWRPTNGIXBBFH-SOUVJXGZSA-N 307.394 -0.212 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CCN(Cc2nnnn2C)C1 1033432592 PLONEEQDDMSIIP-XQQFMLRXSA-N 320.397 -0.166 30 20 DBED CC#CCN1CC[C@@H](N(CC)C(=O)C2CC(=O)NC(=O)C2)C1 1033987068 GZIRBLDUSPVJBZ-CYBMUJFWSA-N 305.378 -0.015 30 20 DBED C=CCN1CC[C@H](NC[C@H]2CCCN2C(=O)c2nc[nH]n2)C1=O 1035081501 RABQYNABXUNYJQ-NEPJUHHUSA-N 318.381 -0.214 30 20 DBED N#CCN1CC2(CCN(C(=O)[C@H]3CCS(=O)(=O)C3)CC2)C1 1035745091 BDIDBKMNTCWFCF-LBPRGKRZSA-N 311.407 -0.131 30 20 DBED C#CCN[C@@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)C[C@@H]1C 1036255493 CBRLKHYYKKBKDK-WDEREUQCSA-N 314.349 -0.509 30 20 DBED CC(C)C#CC(=O)NC[C@]1(O)CCN(C(=O)Cn2cncn2)C1 1039668546 YDHHCQVBLNUOFX-OAHLLOKOSA-N 319.365 -0.983 30 20 DBED C=CCO[C@@H](C)C(=O)NC[C@]1(O)CCN(C(=O)c2cocn2)C1 1040160562 DRHLQEHAKPTKMJ-XHDPSFHLSA-N 323.349 -0.041 30 20 DBED C=CCCCC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2CCC(=O)N2)C1 1040440448 PEQCLFBISXLSSC-BLLLJJGKSA-N 323.393 -0.299 30 20 DBED CC(C)C#CC(=O)N1CC[C@@](O)(CNC(=O)Cc2cnoc2)C1 1040642390 UMXPTRPYXZGHJY-MRXNPFEDSA-N 319.361 -0.044 30 20 DBED Cc1nocc1C(=O)N1CC[C@](O)(CNC(=O)[C@H](C)C#N)C1 1040760238 MURRQQYLDOAXAS-OTYXRUKQSA-N 306.322 -0.164 30 20 DBED Cc1cnoc1C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1O 1041152695 MLAMWRRNZBFCNY-GHMZBOCLSA-N 314.305 -0.376 30 20 DBED Cn1cncc1C(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@H]1O 1041228514 WKBHWUVHRNYVCV-DGCLKSJQSA-N 312.333 -0.334 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)[C@@H](C)NC(C)=O)C1 1041334404 BCYJOYSNEUXTED-LLVKDONJSA-N 309.366 -0.996 30 20 DBED COC[C@H](C)C(=O)N1CC(O)(CNC(=O)CSCC#N)C1 1041568051 FCSDFABXKNETNY-JTQLQIEISA-N 315.395 -0.785 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(O)(CNC(=O)c2cn[nH]c2)C1 1041666871 BPRSZSOHOTUKLH-NEPJUHHUSA-N 320.349 -0.696 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)[C@H](CC)OC)C1 1041914279 WOBSLCFNBLSYEV-LBPRGKRZSA-N 312.366 -0.859 30 20 DBED C=CCCOCC(=O)N1CC(O)(CNC(=O)c2ccnn2C)C1 1041919894 PDSVBRLXSSIGFH-UHFFFAOYSA-N 322.365 -0.684 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)C[C@@H](C)OC)C1 1041942145 BRWGGBRVRQNFEJ-GFCCVEGCSA-N 312.366 -0.859 30 20 DBED C=C[C@@H](CC)CC(=O)N1CC(O)(CNC(=O)[C@H]2CCC(=O)N2)C1 1042073828 DYZCYQMLXCSBPL-NWDGAFQWSA-N 323.393 -0.443 30 20 DBED C=CCn1cc(C(=O)N2CC[C@@H]3CCN(CC(N)=O)[C@H]3C2)nn1 1042263566 WFDHVIWRBGEENL-AAEUAGOBSA-N 318.381 -0.514 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)COCC2CC2)C1 1042802104 DEWGENZSMZLAOZ-UHFFFAOYSA-N 308.378 -0.094 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)C[C@H]2COC(=O)C2)C1 1042802816 NTSUMQRCNSRJIT-GFCCVEGCSA-N 322.361 -0.567 30 20 DBED CNC(=O)CCCC(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042958199 GSGWQHIENOICGL-UHFFFAOYSA-N 321.377 -0.994 30 20 DBED Cc1cc(N2C[C@H]3[C@@H](C2)OCCN3C(=O)C(N)=O)c(C#N)cn1 1043780559 QXYMUZMUONATHM-QWHCGFSZSA-N 315.333 -0.837 30 20 DBED C=C[C@H](C)[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2cnn[nH]2)C1 1043816289 OHSZSRCJRZSVGE-VHSXEESVSA-N 307.354 -0.434 30 20 DBED N#Cc1nccnc1N1C[C@H](O)[C@H](NC(=O)c2cncs2)C1 1043871959 KSYCYXYGXIHPKM-ZJUUUORDSA-N 316.346 -0.216 30 20 DBED CCOc1cc(C(=O)NCC2(O)CN(C(=O)[C@H](C)C#N)C2)on1 1043918901 UWLGIRFRQIDGEY-SECBINFHSA-N 322.321 -0.464 30 20 DBED CC[C@H](F)C(=O)NCC1(O)CN(C(=O)c2c[nH]c(C#N)c2)C1 1044798836 DFLMQJXPEITEEH-NSHDSACASA-N 308.313 -0.062 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)[C@H]2CCC(=O)N2C)C1 1045114262 URNGDBSMTCRSQQ-LLVKDONJSA-N 309.366 -0.737 30 20 DBED N#Cc1ccc(N2CC[C@@H]3CCN(C(=O)C(N)=O)C[C@@H]32)nn1 1045195460 OWDCCDWFPRZCKN-ONGXEEELSA-N 300.322 -0.739 30 20 DBED C=CCCOCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)OC)C1 1048428288 YPYQVPIPZTUKKO-AGIUHOORSA-N 314.382 -0.356 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[C@H](C)OC)C1 1048522842 DZLMAVHBILDUDO-AVGNSLFASA-N 314.382 -0.356 30 20 DBED CN(C(=O)CC1(O)CCC1)[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 1048816977 MFMFNSUKYHCHLH-KBPBESRZSA-N 320.389 -0.265 30 20 DBED CC#CCN1C[C@H]2CN(C(=O)[C@H]3CCS(=O)(=O)C3)C[C@H]2C1 1048924181 UUJYDPFFPGXNIC-MELADBBJSA-N 310.419 -0.165 30 20 DBED C=CCCOCC(=O)N(C)[C@H]1CN(C(=O)c2cnon2)C[C@@H]1O 1049007358 HJBGICDZIJLWEY-RYUDHWBXSA-N 324.337 -0.694 30 20 DBED N#CCN1CCOC[C@@H]1CNC(=O)c1ccc(C(N)=O)cn1 1051267565 CNQMRBPNVUPXRW-NSHDSACASA-N 303.322 -0.865 30 20 DBED C=C(C)CN1CC2(C1)CN(C(=O)[C@@H]1CN(C)CCO1)CCO2 1053202108 GRZJKWQMTPAGSG-AWEZNQCLSA-N 309.410 -0.194 30 20 DBED C#CCN1CC2(CC[C@H](CNC(=O)[C@H]3CCCNC3=O)O2)C1 1053614657 ZYVVDTCSMPHNEW-OLZOCXBDSA-N 305.378 -0.505 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2CCC3(CN(CC#N)C3)O2)nn1 1053673665 DVGBYGKZRAASPA-LBPRGKRZSA-N 316.365 -0.049 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(c2nc(O)c3cnn(C)c3n2)CC1 1055741911 GIRFNBPWZTXUEN-VIFPVBQESA-N 315.337 -0.123 30 20 DBED Cn1nccc1CC(=O)N1CCN(c2cncc(C#N)n2)CC1 1055789484 IVNNZYQIYKMDCD-UHFFFAOYSA-N 311.349 -0.027 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@](CO)(NC(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1056061438 IFNDRVAWFKHREI-WSGDXGOYSA-N 321.377 -0.492 30 20 DBED Cn1ncc(C(=O)NC2[C@@H]3CN(c4ccnc(C#N)n4)C[C@@H]23)n1 1056256743 NMTYCTKXSFVFPT-RKDXNWHRSA-N 310.321 -0.659 30 20 DBED CCc1nc(C#N)cc(N2C[C@@H]3C(NC(=O)c4nc[nH]n4)[C@H]3C2)n1 1056272512 POWVAUYPYZAYEM-UWVGGRQHSA-N 324.348 -0.107 30 20 DBED CCn1nncc1C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N 1057506822 XOGDNYOLBCUDKW-JTQLQIEISA-N 308.342 -0.992 30 20 DBED N#Cc1nccnc1N[C@H]1CCCN(C(=O)Cn2ncnn2)C1 1057697242 BIHIRYSGNUYPCQ-JTQLQIEISA-N 313.325 -0.562 30 20 DBED Cn1ncc(C(=O)N[C@H]2CCN(c3cnc(C#N)cn3)C2)c1N 1058344118 RHZFIGNNSOZSQF-VIFPVBQESA-N 312.337 -0.327 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)CCc1cncn1C 1058655015 NSZNGIUCIXRMPR-GFCCVEGCSA-N 321.381 -0.551 30 20 DBED COc1ccc(C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N)nn1 1058657080 PTWYKKSFUQHWNK-JTQLQIEISA-N 321.337 -0.804 30 20 DBED N#Cc1nc(=N[C@H]2C[C@H](NC(=O)c3ccc(O)nn3)C2)cc[nH]1 1059142859 BBAPYZIKFVHZRF-KYZUINATSA-N 311.305 -0.361 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](CCNC(=O)[C@H](C)OC)C1 1059502522 SRQPEFUXMCHAEE-STQMWFEESA-N 323.393 -0.484 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1C[C@@H](NC(=O)[C@H]2COC(=O)N2)C1 1059625318 RVWZECOGKDIWMA-JFGNBEQYSA-N 301.306 -0.457 30 20 DBED N#CCSCC(=O)N1CCOC[C@H]1CNC(=O)c1cc[nH]n1 1061328562 LMLWRHHEEIEOBF-SNVBAGLBSA-N 323.378 -0.376 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H]1COCCN1C(=O)[C@H](C)CC 1061516788 ZZCLSWKSHUSXAV-OLZOCXBDSA-N 323.393 -0.484 30 20 DBED N#Cc1ccc(N2CC[C@@H](CNC(=O)[C@@H]3COC(=O)N3)C2)nn1 1061591213 GJCGYFDCEXDSFG-ONGXEEELSA-N 316.321 -0.601 30 20 DBED C=C(C)CCC(=O)NC[C@H]1COCCN1C(=O)[C@H]1CNC(=O)N1 1061630691 AYXQYWOXBNMZCR-NWDGAFQWSA-N 324.381 -0.632 30 20 DBED C=CC(C)(C)C(=O)NC[C@H]1COCCN1C(=O)c1cnn[nH]1 1061755735 QIIRUCCLVMIPTC-JTQLQIEISA-N 307.354 -0.026 30 20 DBED C=CCCCC(=O)NC[C@H]1COCCN1C(=O)Cn1ncnn1 1061830833 MNOMZXKZULXTBU-LBPRGKRZSA-N 322.369 -0.627 30 20 DBED C[C@H](C#N)C(=O)N1CCCC[C@@H]1CNC(=O)Cn1ncnn1 1062333471 SDAUXPLQLFEVAI-GHMZBOCLSA-N 305.342 -0.670 30 20 DBED C#CCO[C@H](C)C(=O)NC1(CNC(=O)[C@H](C)NC(N)=O)CCC1 1062847753 JHWUYAHONDEJCC-WDEREUQCSA-N 324.381 -0.763 30 20 DBED CC(C)C#CC(=O)NCC1(NC(=O)[C@H](C)NC(N)=O)CCC1 1062956343 GIHRUPPYOWNIJK-NSHDSACASA-N 308.382 -0.142 30 20 DBED CN(C(=O)[C@@H]1CNC(=O)N1)[C@@H]1CCN(c2nccnc2C#N)C1 1063024985 MORNFXYMMAMCKE-KOLCDFICSA-N 315.337 -0.933 30 20 DBED CN(C(=O)[C@@H]1CNC(=O)N1)[C@@H]1CCN(c2ccc(C#N)nc2)C1 1063025039 NTSNXADRJOUCIV-OLZOCXBDSA-N 314.349 -0.328 30 20 DBED O=C(C#CC1CC1)NC1(CNC(=O)C2CS(=O)(=O)C2)CCC1 1063160103 ZHFNOPCEVWKSER-UHFFFAOYSA-N 324.402 -0.401 30 20 DBED C=CCO[C@H](C)C(=O)NCC1(NC(=O)CC(=O)NC)CCC1 1063424161 NDOMZHOYRJRCCO-LLVKDONJSA-N 311.382 -0.131 30 20 DBED CC[C@@H]1CN(C(=O)C(N)=O)CC[C@H]1Nc1cncc(C#N)n1 1064413699 YYBAGCCCTVTVRF-MWLCHTKSSA-N 302.338 -0.127 30 20 DBED N#Cc1nccc(N2CC[C@]3(CCN(C(=O)CC(N)=O)C3)C2)n1 1064609170 GXXBKEPFEXZBRM-HNNXBMFYSA-N 314.349 -0.348 30 20 DBED C#CCOCCC(=O)NC[C@H]1CN(C(=O)c2cn[nH]c2)CCO1 1064902629 RZCVDYMLKXJQOB-ZDUSSCGKSA-N 320.349 -0.593 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H](NC(=O)CCn2cnnn2)CC1 1066442755 FEGPKJWDXAESSG-NWDGAFQWSA-N 319.369 -0.280 30 20 DBED C#CCOCCC(=O)N1CC2(C1)CN(C(=O)C1CC1)CCO2 1068266840 SZOSNHOJGKBODO-UHFFFAOYSA-N 306.362 -0.124 30 20 DBED C#CCO[C@H](C)C(=O)N1CC2(C[C@@H](NC(=O)C(F)F)CO2)C1 1068642421 UBBNDUDLIAEAPV-NXEZZACHSA-N 316.304 -0.224 30 20 DBED C[C@@H]1[C@H](Nc2cncc(C#N)n2)CCN1C(=O)Cn1cnnn1 1068777563 UGWBYNJCTVYWHC-MWLCHTKSSA-N 313.325 -0.564 30 20 DBED Cc1nn[nH]c1C(=O)N1CC[C@H](N=c2cc[nH]c(C#N)n2)[C@H]1C 1068933076 ARZUIKWQYUBLGZ-ZJUUUORDSA-N 312.337 -0.088 30 20 DBED C=CCCC(=O)N1CC2(C[C@@H](NC(=O)Cc3nc[nH]n3)CO2)C1 1069045099 AGPAVDZIYQHJID-LLVKDONJSA-N 319.365 -0.201 30 20 DBED C#CCN[C@@H]1CN(C(=O)CO[C@@H]2CCOC2)C[C@@H]1n1ccnn1 1070193952 ZKKMQWHRTJUJIF-MCIONIFRSA-N 319.365 -0.942 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCCN(C(=O)[C@H]2CCC(=O)N2)C1 1070551644 ZIGVEHSYXBWWQZ-CHWSQXEVSA-N 321.377 -0.588 30 20 DBED N#CCN1CCOC[C@H]1c1n[nH]c(CNC(=O)c2cc[nH]n2)n1 1070580553 UCPWZIUEOVLVJD-JTQLQIEISA-N 316.325 -0.645 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2C[C@@H]3CN(CCO)C[C@]2(C1)O3 1070860763 PSGCZNFHYGHQNG-WVCIDPQESA-N 322.405 -0.129 30 20 DBED C#CCN1CC[C@]2(C1)CN(C(=O)c1cn(C)nn1)C[C@H](C)O2 1071164304 KAKMTFZUOLXLMR-WFASDCNBSA-N 303.366 -0.246 30 20 DBED C[C@@H]1CN(C(=O)Cn2cncn2)C[C@@]2(CCN(CC#N)C2)O1 1071238002 GYAHZJOSXXHGSU-OCCSQVGLSA-N 304.354 -0.507 30 20 DBED C=CCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)CN2CC(=O)NC2=O)C1 1071788028 UJOFZUQQVCXBQG-MNOVXSKESA-N 322.365 -0.533 30 20 DBED C=CCCOCC(=O)N1C[C@H]2CCN(C(=O)C(N)=O)CC[C@H]2C1 1074359670 BLCKZGMCWCSRJI-BETUJISGSA-N 323.393 -0.239 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)c3c[nH]c(C(N)=O)c3)C[C@H]21 1074405992 ZBRBEXBFQNMCJI-ZIAGYGMSSA-N 316.361 -0.338 30 20 DBED CC#CCCCC(=O)NCC1(O)CCN(C(=O)CC(N)=O)CC1 1074525968 GFNSMUCHHQLSAP-UHFFFAOYSA-N 323.393 -0.475 30 20 DBED CO[C@@H](C)C(=O)NCC1(O)CCN(C(=O)C#CC2CC2)CC1 1074580901 BAIVVDAWIUZOJC-LBPRGKRZSA-N 308.378 -0.096 30 20 DBED C=C[C@](C)(O)CC(=O)NCC[C@H](C)NC(=O)CC(=O)N(C)C 1076308653 KUGXYEYGSOIICO-NHYWBVRUSA-N 313.398 -0.197 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H]3CN([C@@H](C)C(N)=O)C[C@H]32)nn1 1076336487 ZJKROAYCZOHGMV-GMXVVIOVSA-N 318.381 -0.516 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2cccc(-n3cncn3)c2)C1 1077649818 GWLFWIYUDFQWDE-HUUCEWRRSA-N 311.345 -0.325 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCN(C(C)=O)C2)C1 1078088387 QATIJQWJXCMCKN-JHJVBQTASA-N 315.801 -0.231 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H](C)CCNC(=O)Cc1nonc1C 1078163732 CJXAXIXWEQPIAF-JQWIXIFHSA-N 322.365 -0.030 30 20 DBED C=C[C@](C)(O)CC(=O)N(C)[C@@H]1CCCN(C(=O)C(N)=O)CC1 1078937007 SEUWTAUPYMMVKZ-ABAIWWIYSA-N 311.382 -0.362 30 20 DBED CC#CCN1C[C@@H](NC(=O)c2nccnc2C(N)=O)[C@H](C)C1 1080910511 DEHQAMLBBFREOV-GHMZBOCLSA-N 301.350 -0.351 30 20 DBED C[C@H](C#N)C(=O)NC1(CO)CCN(C(=O)C2=COCCO2)CC1 1080981652 JKFDOSXDACBGJV-LLVKDONJSA-N 323.349 -0.496 30 20 DBED Cc1nonc1C(=O)NC[C@@H]1CN(C(=O)C#CC(C)C)C[C@@H]1O 1081580501 PBZIIKLFLBJULV-NEPJUHHUSA-N 320.349 -0.413 30 20 DBED C=CC(C)(C)C(=O)NC[C@H]1CN(C(=O)Cc2nc[nH]n2)C[C@@H]1O 1081642268 DNSFJYYSEKUPCP-QWRGUYRKSA-N 321.381 -0.505 30 20 DBED C=CCCC(=O)N1C[C@H](CNC(=O)Cc2ncc[nH]2)[C@@H](O)C1 1081692627 JJZYLAXZKLZJQA-RYUDHWBXSA-N 306.366 -0.146 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1cnc2[nH]c(O)nc2c1 1081877031 ZAJNPJUETHOMQP-GHMZBOCLSA-N 316.321 -0.384 30 20 DBED C#CCNC(=O)CC(=O)N1CCCC[C@H]1CNC(=O)C(F)F 1082017194 UVVHBWCZTCCRGJ-JTQLQIEISA-N 315.320 -0.112 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NCc2nnnn2C)[C@H](C)C1 1082752009 LIERAYCPRJZWGP-LPWJVIDDSA-N 320.397 -0.262 30 20 DBED C[C@@H](C(=O)N(C)C)N1C[C@H]2[C@@H](C1)OCCN2C(=O)C#CC1CC1 1083077353 DBPRUCXAYBOWCM-AEGPPILISA-N 319.405 -0.212 30 20 DBED C[C@@H](C(=O)N1CCO[C@@H]2CN(CC#N)C[C@@H]21)N1CCCCC1=O 1083282449 DDNRPCVCXPIGGP-MELADBBJSA-N 320.393 -0.177 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCn3ccnc3C2)C1 1083584099 GGMKLTAVJLNRLI-MCIONIFRSA-N 302.378 -0.370 30 20 DBED N#CCN[C@H]1C[C@H](CNC(=O)c2cn(C[C@@H]3CCOC3)nn2)C1 1086517787 ZVEWFGRNNNYJPK-AVGNSLFASA-N 318.381 -0.064 30 20 DBED C#CCN1C[C@H]2CC[C@H]1[C@@H]1CN(C(=O)c3nnn(C)n3)C[C@H]21 1087380403 UGRIUVOEBSTJJW-LPWJVIDDSA-N 300.366 -0.374 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2cnc3[nH]c(O)nc3c2)[C@@H](O)C1 1090379170 VNXGHZGOQJFCOG-PWSUYJOCSA-N 315.333 -0.538 30 20 DBED CCC(=O)NCC(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@@H]1O 1091080402 BRXKBMLSXKNRJO-YPMHNXCESA-N 317.349 -0.855 30 20 DBED CN(C)CCCC(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@@H]1O 1091175811 SXSMFCZURARTOI-OLZOCXBDSA-N 318.381 -0.644 30 20 DBED CS(=O)(=O)CC(=O)NCC1CC(Nc2nccnc2C#N)C1 1092212382 ONVRFCUGGMWAGZ-UHFFFAOYSA-N 323.378 -0.300 30 20 DBED C#CCOCCC(=O)NCCNc1ncnc2c1ncn2C 1093892801 DPUDKOQZZQAQQW-UHFFFAOYSA-N 302.338 -0.069 30 20 DBED C[C@@H](C(=O)NCCN=c1cc[nH]cc1C#N)N1C(=O)CCC1=O 1094201312 BHTISEWIEIHVBG-JTQLQIEISA-N 315.333 -0.559 30 20 DBED COC(=O)[C@H]1C[C@@H]1C(=O)NCCCN=c1cc[nH]c(C#N)n1 1094327957 DHDOJAKNXKZKRO-UWVGGRQHSA-N 303.322 -0.503 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)C[C@@H]3CCOC3)CC2=O)C1 1094715792 QUOSUYMAKRPYRJ-STQMWFEESA-N 305.378 -0.553 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)c3cnnn3C)CC2=O)C1 1094734092 RBOPWZMUIYHDPF-SNVBAGLBSA-N 304.354 -0.984 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCCN(C)c1ccc2nnnn2n1 1095527691 KWAQQSYNHJISBS-CQSZACIVSA-N 319.369 -0.211 30 20 DBED CNC(=O)CC(=O)N[C@H]1CCCN(c2ccnc(C#N)n2)C1 1096162072 YRHUHDKXQWJQOY-JTQLQIEISA-N 302.338 -0.431 30 20 DBED CNS(=O)(=O)CC(=O)N[C@@H]1CCN(c2ncccc2C#N)C1 1096382692 QCMAGKYIZZRFNC-LLVKDONJSA-N 323.378 -0.803 30 20 DBED C[C@H](CC(=O)N[C@H]1CCN(c2ccnc(C#N)n2)C1)NC(N)=O 1096439980 PKQAVJUGOWJKGO-ZJUUUORDSA-N 317.353 -0.510 30 20 DBED N#Cc1ccc(N[C@H](CNC(=O)[C@@H]2CNC(=O)N2)C2CC2)nc1 1096801110 UWLNVIOUDXHMIB-NEPJUHHUSA-N 314.349 -0.059 30 20 DBED C[C@@H](C(=O)N[C@H]1C[C@H](N=c2cc[nH]c(C#N)n2)C1)S(C)(=O)=O 1097113312 PCYVRXJYDVULIG-GUBZILKMSA-N 323.378 -0.738 30 20 DBED N#Cc1nccnc1N1[C@H]2CC[C@H]1CC(NC(=O)CC(N)=O)C2 1097118708 RMRTTXMDDZFTMN-QWRGUYRKSA-N 314.349 -0.160 30 20 DBED C[C@H](CNC(=O)[C@H]1CN(C)C(=O)N1)Nc1ccc(C#N)nn1 1098213264 FBEBXOARTWEAAI-PSASIEDQSA-N 303.326 -0.712 30 20 DBED C[C@@H](CNC(=O)[C@H]1CN(C)C[C@@H](C)O1)Nc1cncc(C#N)n1 1098366833 ZXBNSEISYPSWKH-DMDPSCGWSA-N 318.381 -0.016 30 20 DBED COCC#CCN(CCO)C1CCN(C(=O)c2cnon2)CC1 1098504363 WOFHLDCFXSTIPX-UHFFFAOYSA-N 322.365 -0.382 30 20 DBED CCC(=O)N1CC[C@@H](n2cc(CNCC(=O)NCC#N)nn2)C1 1098589227 UIULCMITKWZCFS-GFCCVEGCSA-N 319.369 -0.809 30 20 DBED C#CCNC(=O)[C@H](C)NCc1cn([C@H]2CCN(C(C)=O)C2)nn1 1098592860 ZAIJXYXSDKSXDW-FZMZJTMJSA-N 318.381 -0.701 30 20 DBED C[C@H]1CN(C(=O)C#CC2CC2)CC2(CCN(CC(N)=O)CC2)O1 1098600197 VLLWVDJKZMTYTD-ZDUSSCGKSA-N 319.405 -0.033 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)c2cn(C)nn2)[C@H](O)C1 1099802574 XSZJRQFUZYBYKR-WCQYABFASA-N 309.370 -0.817 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)C/C=C(\C)C=C)[C@H](O)C1 1099954783 OXAJHVPQEHGNJZ-ZCIHOMHXSA-N 319.405 -0.190 30 20 DBED C#CCN1CC[C@@H](NC(=O)CCCCN2CCOCC2)[C@H](O)C1 1100033472 FQUVGKUMRMIMCK-HZPDHXFCSA-N 323.437 -0.327 30 20 DBED C#CCN1CC[C@H](NC(=O)COC2CCN(C)CC2)[C@H](O)C1 1100056063 NTTCYDIYQTVQLQ-LSDHHAIUSA-N 309.410 -0.718 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CCCCC(=O)NC)[C@@H](O)C1 1100139630 UTSTTXYRMUTZOM-KGLIPLIRSA-N 309.410 -0.133 30 20 DBED CC#CCNC1CC(CNC(=O)COCc2nncn2C)C1 1100813558 FCNIWFBIAGOHCK-UHFFFAOYSA-N 305.382 -0.161 30 20 DBED CNC(=O)CC(=O)NC[C@H]1CCN(c2ccnc(C#N)n2)C1 1100976492 CLZRQDUSQFGGTH-SNVBAGLBSA-N 302.338 -0.573 30 20 DBED CCCN(CCNC(=O)CNC(N)=O)c1ncccc1C#N 1101083775 SEYMUEURWBPVPC-UHFFFAOYSA-N 304.354 -0.046 30 20 DBED C[C@H](CC(N)=O)C(=O)NCCN(c1cncc(C#N)n1)C1CC1 1101430719 MYIJGBNTHLNSNP-SNVBAGLBSA-N 316.365 -0.055 30 20 DBED COC(=O)NCC(=O)N(C)[C@H]1CCN(c2cnc(C#N)cn2)C1 1102671865 UOPSIGQZOHIBIF-NSHDSACASA-N 318.337 -0.259 30 20 DBED CC(=O)N[C@H](C)C(=O)NC[C@H](C)CN=c1cc[nH]c(C#N)n1 1103850234 OICGPILLRKWJHV-NXEZZACHSA-N 304.354 -0.541 30 20 DBED Cc1cc(N2CCO[C@H](CNC(=O)C(N)=O)C2)c(C#N)cn1 1104345292 UHGVGZWFZIZPFU-LLVKDONJSA-N 303.322 -0.932 30 20 DBED Cc1cc(=NC[C@@H](C)N(C)C(=O)CS(C)(=O)=O)c(C#N)c[nH]1 1104497912 OETKRGVHODFWKU-LLVKDONJSA-N 324.406 -0.013 30 20 DBED CC#CCNCc1cn(C2CN(C(=O)c3ccnn3C)C2)nn1 1105181878 PLCVXZXMLNBUKF-UHFFFAOYSA-N 313.365 -0.178 30 20 DBED C#CCNCc1cn(C2CN(C(=O)c3cnn(C)c3N)C2)nn1 1105218031 SXKPNZPYMDMMKU-UHFFFAOYSA-N 314.353 -0.986 30 20 DBED N#Cc1cnc(NC[C@@H](O)CNC(=O)C2CCOCC2)cn1 1105699611 ZYZULDQWOVRVPE-GFCCVEGCSA-N 305.338 -0.336 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H](O)CNC(=O)Cn1ccnc1 1105883687 XFMDMGPDFDMQMK-GFCCVEGCSA-N 300.322 -0.839 30 20 DBED Cc1nc(O)[nH]c1C(=O)NC[C@@H](O)CNc1cncc(C#N)n1 1106000528 HEQGITDMXOWIGQ-VIFPVBQESA-N 317.309 -0.712 30 20 DBED N#Cc1cccnc1NC[C@@H](O)CNC(=O)[C@H]1CCC(=O)NC1 1106170441 SEJFPORJKFGWBU-NWDGAFQWSA-N 317.349 -0.632 30 20 DBED C[C@@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)c1cc(=O)n(C)o1 1106307487 DJNHUNZGDYZXBD-VIFPVBQESA-N 316.321 -0.318 30 20 DBED C[C@@H]1CN(C(=O)Cc2ccc(C(N)=O)nc2)C[C@H]1CNCC#N 1106318236 ADZDHYYUIAAYCI-DGCLKSJQSA-N 315.377 -0.069 30 20 DBED CN1CCO[C@H](C(=O)NC/C=C/CN=c2cc[nH]cc2C#N)C1 1107094211 XCDSNDRRXHUYQQ-FAAWYNLUSA-N 315.377 -0.210 30 20 DBED C#CCN1CC(n2cc(CNC(=O)C[C@@H]3CCCO3)nn2)C1 1107135445 UKRWOKFSDBOMLR-AWEZNQCLSA-N 303.366 -0.047 30 20 DBED C[C@H](C#N)C(=O)NCc1cn(C2CN(Cc3cnon3)C2)nn1 1107149874 UGZGUALVFSNYDE-SECBINFHSA-N 316.325 -0.506 30 20 DBED CN1CCOC[C@H]1C(=O)NC/C=C\CN=c1cc[nH]c(C#N)n1 1107162796 UXUNWHCSZNUQAB-DLGQBQFBSA-N 316.365 -0.815 30 20 DBED CNS(=O)(=O)CC(=O)NC/C=C\CN=c1cc[nH]cc1C#N 1107215126 XVGSZOHJKRXFFO-IHWYPQMZSA-N 323.378 -0.991 30 20 DBED N#Cc1cnc(NC/C=C\CNC(=O)[C@@H]2CCNC2=O)cn1 1107452756 ULJHWCHKOVDGPS-BVBSBALXSA-N 300.322 -0.431 30 20 DBED C[C@H](CNc1cnc(C#N)cn1)NC(=O)[C@@H]1CCN(C)C1=O 1108071040 AVWOGDHSZBGJCY-KOLCDFICSA-N 302.338 -0.257 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)COCc2nncn2C)C1 1108315250 VJWTUCWGJCOOLT-OAHLLOKOSA-N 321.381 -0.828 30 20 DBED C[C@@]1(CNC(=O)[C@H]2CCc3nn[nH]c3C2)CN(CC#N)CCO1 1108341359 YAHHEZJYTNABNC-XHDPSFHLSA-N 318.381 -0.360 30 20 DBED C[C@H](CN(C)c1cnc(C#N)cn1)NC(=O)CCNC(N)=O 1108961947 RLHUZTISVXIODH-SECBINFHSA-N 305.342 -0.652 30 20 DBED CC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H](C)NC(=O)COC 1109317985 QLQDZUFHHGPIJX-MQYQWHSLSA-N 307.394 -0.118 30 20 DBED CCn1ncc(C(=O)N(C)CCCN=c2cc[nH]c(C#N)n2)n1 1109439348 UZYHMFUIUZDRCM-UHFFFAOYSA-N 314.353 -0.044 30 20 DBED C#CCOCCC(=O)NCC1(Nc2ccc3nnnn3n2)CC1 1110235690 ZFZJKMXEGGEKMO-UHFFFAOYSA-N 315.337 -0.380 30 20 DBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cc1cnoc1 1110936391 LGDYTSVEPWBCAE-UPJWGTAASA-N 317.349 -0.422 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@]1(O)CCN(c2nccnc2F)C1 1111098674 UBJFLVRDZLTIFI-IAQYHMDHSA-N 322.340 -0.289 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNc1ncnc2c1ncn2C 1111435791 DCCFBSCAWBCBMP-JTQLQIEISA-N 317.353 -0.244 30 20 DBED CCNC(=O)CC(=O)N(CCO)CCNc1ccc(C#N)nc1 1111453486 HTUUUZDNIYAYLB-UHFFFAOYSA-N 319.365 -0.288 30 20 DBED CC(=O)NCC(=O)N[C@H]1CCN(c2ccc(C#N)nn2)C[C@@H]1C 1112387234 CKQRWSPVRYHIOH-GWCFXTLKSA-N 316.365 -0.185 30 20 DBED CNC(=O)CC(=O)NC[C@@H]1CN(c2ccncc2C#N)C[C@H]1O 1112709168 GGFCNZBAENERFF-DGCLKSJQSA-N 317.349 -0.997 30 20 DBED Cc1c(CC(=O)N2CCN(CC(=O)NCC#N)CC2)cnn1C 1112938345 HMXKDPQZROSNJT-UHFFFAOYSA-N 318.381 -0.945 30 20 DBED C=CCOCC(=O)N[C@H]1[C@@H]2CN(CC(=O)N(C)C3CC3)C[C@@H]21 1114035018 QEFWCRVINPWPPH-VIKVFOODSA-N 307.394 -0.144 30 20 DBED C=CCCCN1C[C@@H]2C(NC(=O)c3nnc(O)nc3O)[C@H]2C1 1114524511 WKJSIVQUCHICHF-IUCAKERBSA-N 305.338 -0.091 30 20 DBED N#Cc1cncc(N2C[C@H]3[C@H](CNC(=O)Cc4nc[nH]n4)[C@H]3C2)n1 1114571230 CZOMLWWSRXFTQF-CNDDSTCGSA-N 324.348 -0.493 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)c3csnn3)[C@@H]2C1 1114639619 ZKRGXEMZLXFLLO-IVZWLZJFSA-N 321.406 -0.111 30 20 DBED C=CCOCCN1C[C@H]2C(NC(=O)c3c[nH]c(=O)cn3)[C@@H]2C1 1114739846 WOXQTLLZWBMEMC-GHMZBOCLSA-N 304.350 -0.368 30 20 DBED N#CCNC(=O)CN1C[C@H]2C(NC(=O)CC3=CCOCC3)[C@@H]2C1 1114786027 ZPURBFLJONNAIN-CHWSQXEVSA-N 318.377 -0.591 30 20 DBED C=CCCCN1C[C@H]2[C@H](NC(=O)CN3CC(=O)N(C)C3=O)[C@H]2C1 1115113280 IIIQUKNQIHCCPJ-JYAVWHMHSA-N 320.393 -0.107 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)CN(C)CCC)[C@@H]2C1 1115150494 XMLWDJCVMYFYCU-CHWSQXEVSA-N 308.426 -0.323 30 20 DBED C=CCC[C@H](C)N1C[C@H]2[C@H](NC(=O)CS(=O)(=O)NC)[C@H]2C1 1115250565 YQWSFCVBCXGKPJ-CIQGVGRVSA-N 315.439 -0.063 30 20 DBED C[C@@](C#N)(NC(=O)CN1C(=O)NC2(CCNCC2)C1=O)C1CC1 1118136468 YGFMWHUOWSHPSS-AWEZNQCLSA-N 319.365 -0.531 30 20 DBED CN(C)S(=O)(=O)CC(=O)NCC1(NCC#N)CCCCC1 1120080608 LRLDJLASMJHYJJ-UHFFFAOYSA-N 316.427 -0.190 30 20 DBED Cc1cc(C(=O)NC[C@H](CO)Nc2cnc(C#N)cn2)no1 1121010312 MZYYBMWHHFKARY-SNVBAGLBSA-N 302.294 -0.153 30 20 DBED N#Cc1c[nH]ccc1=N[C@H](CO)CNC(=O)Cc1ccon1 1121256717 FDIUYSZSJILOLK-LBPRGKRZSA-N 301.306 -0.505 30 20 DBED N#Cc1c[nH]ccc1=N[C@H](CO)CNC(=O)CC1OCCCO1 1121360400 UREMITBAQALWNA-LBPRGKRZSA-N 320.349 -0.583 30 20 DBED C#CCCCC(=O)NC[C@@H](CO)Nc1nccn2nnnc12 1121371997 SCPFNXZSFQMSBF-JTQLQIEISA-N 303.326 -0.788 30 20 DBED C=CCO[C@@H](C)C(=O)NC[C@@H](CO)Nc1cc(C)nc(CO)n1 1121749839 TVPSYHIIZUIAEU-RYUDHWBXSA-N 324.381 -0.243 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)COCC 1122984022 FOAZVDXXUJMINV-JTQLQIEISA-N 300.359 -0.871 30 20 DBED CCC(=O)NCC(=O)N1CC[C@@H](N=c2cc[nH]c(C#N)n2)[C@@H]1C 1123004789 UWWKQRCQVCPANP-WDEREUQCSA-N 316.365 -0.302 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)c1ccc[nH]1 1124174741 WIVBCGOXFVPXFE-SNVBAGLBSA-N 300.322 -0.357 30 20 DBED CCOCCNC(=O)CNCCNC(=O)c1c[nH]c(C#N)c1 1125988257 RWHXDGFSQGCFLP-UHFFFAOYSA-N 307.354 -0.642 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCN[C@@H](C)C(=O)Nc1ncccn1 1126366412 VAGNDVZUDFFLGH-XHDPSFHLSA-N 321.381 -0.164 30 20 DBED CC(=O)NCC(=O)N(C)CCOCCNc1cnc(C#N)cn1 1127145021 BUTNJKYHTPACSK-UHFFFAOYSA-N 320.353 -0.629 30 20 DBED CC(C)C#CC(=O)N[C@H]1CCc2nnc(CNCCO)n2CC1 1127997087 JHUHSVRWINCTQZ-ZDUSSCGKSA-N 319.409 -0.160 30 20 DBED C=C(Br)CNCCNC(=O)C1CS(=O)(=O)C1 1128108372 OPHUPEIMTFKUOK-UHFFFAOYSA-N 311.201 -0.355 30 20 DBED N#Cc1cccc(CNCCNC(=O)C2CS(=O)(=O)C2)c1 1128108392 PCCUGXBUNVFSDN-UHFFFAOYSA-N 307.375 -0.191 30 20 DBED C=CCNC(=O)CNCCNC(=O)C1(COC)CCOCC1 1128850035 NVVXGIZBONOQNC-UHFFFAOYSA-N 313.398 -0.562 30 20 DBED C#CCN[C@@H]1CN(C(=O)CCOCCOC)C[C@@H]1n1ccnn1 1130148226 KQRKXCLBWUHRDI-KGLIPLIRSA-N 321.381 -0.694 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1cnn(C)c1CC 1130776040 WZBBMPPAJXUROB-NSHDSACASA-N 305.382 -0.560 30 20 DBED C#CCN1CCOC[C@H]1c1n[nH]c(CNC(=O)COC(C)C)n1 1130831395 FTNUJZRJVMEJDR-LBPRGKRZSA-N 321.381 -0.148 30 20 DBED COCC#CCNCCNC(=O)c1cnc2sccn2c1=O 1131005605 OQRUOFKXLRUCIO-UHFFFAOYSA-N 320.374 -0.275 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H]2C[C@@H]3CN(CC#C)C[C@]2(C1)O3 1131217988 VZYYOORBTQPMCC-CKEIUWERSA-N 315.373 -0.939 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)CNC(=O)CC)CC[C@H]1C 1131911394 HLTXITZASFCOPV-OLZOCXBDSA-N 322.409 -0.769 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)[C@]1(C)CCC(=O)N1 1133467879 RGAIELGWJZZDNU-HNNXBMFYSA-N 323.397 -0.877 30 20 DBED Cc1ncn(C)c1C(=O)N[C@H](C)C[C@@H](C)NCC(=O)NCC#N 1134652026 DTQHEMILBOATTC-GHMZBOCLSA-N 320.397 -0.145 30 20 DBED C=CCCCN[C@@H](C)C[C@H](C)NC(=O)CNS(=O)(=O)NC 1135118295 HHGRPHNKCDEMJL-RYUDHWBXSA-N 320.459 -0.121 30 20 DBED C=CCOCC(=O)N1CC2(CCN(Cc3nnn(C)n3)C2)C1 1147260699 FPLOTVRPGWHSFD-UHFFFAOYSA-N 306.370 -0.553 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H]1CN(Cc2cnon2)CCCO1 1149707716 LCVLTBPRIXRJMJ-GXTWGEPZSA-N 322.365 -0.185 30 20 DBED NC(=O)C(=O)NC[C@H]1CN(CC#Cc2ccccc2)CCCO1 1150212985 UZLGVBMXTZPCCO-HNNXBMFYSA-N 315.373 -0.270 30 20 DBED N#CCN1CCCO[C@H](CNC(=O)CCN2CCOCC2)C1 1150453073 NGMKSCNEJBZSCR-CQSZACIVSA-N 310.398 -0.561 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)c1cnc(C)cn1 1151658468 BVDOKZBJWLLPON-GFCCVEGCSA-N 318.381 -0.135 30 20 DBED CCN(CC(=O)NC(N)=O)[C@H](C)CNC(=O)c1c[nH]c(C#N)c1 1152878856 QLMPJUIENSXVRR-SECBINFHSA-N 320.353 -0.479 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H](C)n1nc(C)cc1C 1153302655 WLMGIVKCRXZRBE-ZIAGYGMSSA-N 319.409 -0.095 30 20 DBED CN(C)c1ccnc(C(=O)NCCNCC(=O)NCC#N)c1 1153339124 HJJQTQUSAZLGGV-UHFFFAOYSA-N 304.354 -0.893 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)c1ccc(C(N)=O)cn1 1153388142 ZRRPGOMWNDJAOK-SNVBAGLBSA-N 319.365 -0.809 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)[C@@H]2CCCN2C(N)=O)C1=O 1153586180 JWUWLPGNEUIRPJ-NEPJUHHUSA-N 323.397 -0.978 30 20 DBED CO[C@@H](C(=O)NCCNCC(=O)NCC#N)C1CCCCC1 1153965766 VGXQJSBYDJFUNH-CQSZACIVSA-N 310.398 -0.073 30 20 DBED CCN(CCC#N)C(=O)CNCCCNC(=O)c1ncc[nH]1 1157628768 RAYQCSGNKLPDRQ-UHFFFAOYSA-N 306.370 -0.119 30 20 DBED C=CCOCCN1CCC(CNC(=O)C(N)=O)(COC)CC1 1162449511 FEKMSAKREAGDPB-UHFFFAOYSA-N 313.398 -0.481 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)C[C@H]1CCC(=O)N1 1168239256 JFCRUXUGBNYSQT-NWDGAFQWSA-N 310.398 -0.558 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)[C@H]2OCC[C@H]2C)[C@H]1C 1179557202 FKOCAUZKLRHWNA-OSFYFWSMSA-N 307.394 -0.260 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)Cc2ccc[nH]2)[C@H]1C 1180182785 OTVWXZGSSILUMI-JSGCOSHPSA-N 302.378 -0.114 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2cnnn2C)C1 1182257927 FDDZCHBSJBYOMG-WDEREUQCSA-N 306.370 -0.690 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2nn(C)cc2C)C1 1182442901 UEMZVKKCZWPSCD-GFCCVEGCSA-N 303.366 -0.718 30 20 DBED CCN1CCOC[C@@H]1C(=O)N1CC[C@@H](NCC#CCOC)C1 1183826771 PFNXDOHJPYWRIS-HUUCEWRRSA-N 309.410 -0.453 30 20 DBED CC(C)(C)OCC(=O)N1CC[C@H]2CN(CC(=O)NCC#N)C[C@H]21 1187605435 KDRIAFLMSLVAFE-QWHCGFSZSA-N 322.409 -0.026 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)C2CCOCC2)C1 1188580500 RQGSZJAIBQGXCO-AWEZNQCLSA-N 307.394 -0.305 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2cc(CC)[nH]n2)C1 1188949032 PJQVKLXLOUXFKH-CYBMUJFWSA-N 317.393 -0.132 30 20 DBED CCCCOCC(=O)N1CC[C@H](N(C)CC(=O)NCC#N)C1 1189480523 MPNMUDAFTDIWEN-ZDUSSCGKSA-N 310.398 -0.024 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](N(C)Cc2cnn(C)c2)C1 1189760417 LPHRHLOMEVXURO-AWEZNQCLSA-N 317.393 -0.408 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)Cc2cccs2)C1 1190668085 GWLFQWXTQJSTMS-CHWSQXEVSA-N 323.418 -0.246 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)CCc2ncc[nH]2)C1 1192632424 HILZFMLVXXFUHQ-CHWSQXEVSA-N 306.366 -0.847 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)c2cnnn2CC)C1 1192751637 DRLFJJLTLNASCL-DGCLKSJQSA-N 309.370 -0.725 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)CN2CCC[C@H]2C)C1 1196167720 GDRHYQUUJPNTDY-RBSFLKMASA-N 311.426 -0.165 30 20 DBED N#CCN1CCCN(C(=O)CCNC(=O)[C@H]2CCCO2)CC1 1198386310 SQSCXQRXEJRMSX-CYBMUJFWSA-N 308.382 -0.270 30 20 DBED C#CCCCCC(=O)N1CCC(NCC(=O)NC(N)=O)CC1 1200147598 BKRLYDFOTYSTSY-UHFFFAOYSA-N 308.382 -0.045 30 20 DBED CC1(C)C[C@@H]1C(=O)N1CCCO[C@@H](CNCC(=O)NCC#N)C1 1200283298 QQYHMPRXURBULL-QWHCGFSZSA-N 322.409 -0.121 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)[C@@]23COC[C@@H]2C3)CC1 1200651698 IEZBVQIMGPCFQW-LRDDRELGSA-N 307.394 -0.094 30 20 DBED CCn1nc(C(=O)N2CCCO[C@H](CNCC#N)C2)ccc1=O 1201660552 ZUFFZMRELOBKAC-GFCCVEGCSA-N 319.365 -0.393 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)C[C@@H]2CC(=O)NC2=O)CCCO1 1202249486 BBYNVWZEPQFUBV-QWHCGFSZSA-N 321.377 -0.730 30 20 DBED C#CCCN[C@H]1C[C@@H](NC(=O)CN2CCNC(=O)C2)C12CCC2 1203256899 KCJOPLJJKZCLJK-UONOGXRCSA-N 318.421 -0.542 30 20 DBED N#CCNC(=O)CN[C@H]1C[C@H](NC(=O)c2cnon2)C12CCC2 1203506689 KNOWPMQQTWFXND-QWRGUYRKSA-N 318.337 -0.660 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCC[C@@H](NCCOCCO)C1 1207951649 WCCUGTZTLBDOKJ-UKRRQHHQSA-N 300.399 -0.097 30 20 DBED COCC#CCN[C@H]1CCCN(C(=O)[C@H]2CCCNC2=O)C1 1208372950 FAKKAEKGOBLLBP-KBPBESRZSA-N 307.394 -0.257 30 20 DBED C[C@@H]1CCN(CC(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@H]2C)C1 1208591457 XDWKLQRKRXTXRB-MGPQQGTHSA-N 321.425 -0.596 30 20 DBED CO[C@H](C(=O)N1CCC[C@@H](NCC(=O)NCC#N)C1)C(C)C 1209447365 ZGNFGFJZJMOTMH-OCCSQVGLSA-N 310.398 -0.122 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)CC(F)(F)F)[C@H](OC)C1 1211975037 PVXQWDVDUNVYSR-NXEZZACHSA-N 321.299 -0.496 30 20 DBED CCN(C(=O)CN1C[C@@H](NC(=O)[C@H](C)C#N)[C@H](OC)C1)C1CC1 1212045659 TWPBJYRPZXGKEZ-MRVWCRGKSA-N 322.409 -0.028 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)[C@H]2CC[C@@H](C)O2)[C@H](OC)C1 1213462880 VTFLQKQLWDZFBJ-AAVRWANBSA-N 323.393 -0.881 30 20 DBED COCC#CCN1C[C@@H](NC(=O)Cc2ncc[nH]2)[C@H](OC)C1 1213616314 TUCINSMMJYTIRX-CHWSQXEVSA-N 306.366 -0.583 30 20 DBED C=CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)C(=O)NCC(F)F 1218214493 QITKPWCRBJLLSC-VHSXEESVSA-N 303.309 -0.535 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)COCCOCC 1219056115 MJFAPHSMUSEYJU-LSDHHAIUSA-N 310.394 -0.026 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(Cc2cnns2)C[C@@H]1O 1219536442 QQDOZSUAHZDFPH-MDZLAQPJSA-N 312.395 -0.474 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN([C@@H](C)C(=O)NCC(C)C)C[C@@H]1O 1219588958 PQJHCIHCNSMPPQ-ZNMIVQPWSA-N 323.437 -0.032 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)CCn2ccccc2=O)C1 1219744319 AXLZBXADKDIHFR-KGLIPLIRSA-N 303.362 -0.577 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)[C@]2(CC)CCNC2=O)C1 1219826357 UAUGXMRTWUYRTA-UHIISALHSA-N 315.801 -0.184 30 20 DBED C=CCCCN1C[C@H](O)[C@H](NC(=O)c2cc(C(N)=O)cn2C)C1 1219951721 YJPWAMKYOCUHHV-OCCSQVGLSA-N 320.393 -0.135 30 20 DBED N#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C[C@@H]2CC=CCC2)C1 1220139148 IGZJNEMHDQVMJO-MCIONIFRSA-N 320.393 -0.466 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)CCc2cncn2C)C1 1220888275 IRQHPEZDWCVICN-CABCVRRESA-N 322.409 -0.283 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)[C@H]2CCOC2)CC1 1222543915 TXOFJHNVKXHLIO-AWEZNQCLSA-N 307.394 -0.400 30 20 DBED CC(C)(O)CC(=O)N1CC[C@H]2CCN(CC(=O)NCC#N)[C@H]2C1 1222598532 NMJQQCVDIHSYAE-OLZOCXBDSA-N 322.409 -0.290 30 20 DBED C[C@@H](C#N)C(=O)NCC1CCN(CCN2C(=O)CNC2=O)CC1 1222663741 DWKCCFVPOGEURM-NSHDSACASA-N 321.381 -0.474 30 20 DBED C#CCO[C@@H](C)C(=O)NC1CCN(Cc2nnn(C)n2)CC1 1227342649 SPONYBTUOOBNNE-NSHDSACASA-N 306.370 -0.671 30 20 DBED CN(C[C@@H]1CCN1CC(=O)NCC#N)C(=O)C1CCC(O)CC1 1233978292 SSHQXKHLQPEGLS-MOKVOYLWSA-N 322.409 -0.290 30 20 DBED C=C(C)COCCNC(=O)C(=O)NC[C@@H]1CN(C)CCN1C 1258381828 DDQKGATYQQBJKL-CYBMUJFWSA-N 312.414 -0.943 30 20 DBED COCC#CCN[C@H]1CCN(C(=O)c2ccc(C(N)=O)cn2)C1 1266569875 PCHRAMPVDOQFNY-ZDUSSCGKSA-N 316.361 -0.366 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CSCCS2)CCO1 1324694530 MFVIXLDSQJAKTH-NXEZZACHSA-N 315.420 -0.298 30 20 DBED C=CCN1C(=O)C(=O)N(Cc2nc([C@@H]3CCCN3)no2)C1=O 1326209896 WZQDJNNSGACADG-QMMMGPOBSA-N 305.294 -0.029 30 20 DBED C#CCOCCNC(=O)C(=O)NC1CCN(C(=O)OC)CC1 1326801701 PSDJMDPLVRNTIL-UHFFFAOYSA-N 311.338 -0.901 30 20 DBED C#Cc1cccc(CNC(=O)C(=O)NC[C@@H](C)S(C)(=O)=O)c1 1328497811 ANRJQOKOVPGPDC-LLVKDONJSA-N 322.386 -0.167 30 20 DBED COCCNCCCNC(=O)C(=O)Nc1cccc(C#N)n1 1329301351 XQTDFUNZNRZJFZ-UHFFFAOYSA-N 305.338 -0.366 30 20 DBED C#CCN(C(=O)C(=O)NCCNC(=O)c1cccnc1)C(C)C 1334590987 MOVJVRKLMRDQIL-UHFFFAOYSA-N 316.361 -0.202 30 20 DBED COCCN(C)CCNC(=O)CCN/C(O)=C1/N=CC=CC1=O 1339064513 JWZDFGQPLJBOFW-PFONDFGASA-N 324.381 -0.403 30 20 DBED C=CCn1c(C2=NNC(=O)C2)nnc1N1CCC(CO)CC1 1340430254 OYDMBQNOMYLFJV-UHFFFAOYSA-N 304.354 -0.103 30 20 DBED COCCN(CCC#N)C(=O)C(=O)Nc1ccc(=O)n(C)c1 1343319667 YKBRIZCMAMJCQH-UHFFFAOYSA-N 306.322 -0.288 30 20 DBED CO[C@@H]1C[C@@H](NC(=O)C(=O)N2CCO[C@H](C#N)C2)C12CCC2 1345437148 LBLKXVJJMLGULQ-IJLUTSLNSA-N 307.350 -0.189 30 20 DBED CN1CCC[C@@H](CCNC(=O)C(=O)N2CC[C@](O)(CC#N)C2)C1 1345894464 UXAXAGLBZMIFFZ-XJKSGUPXSA-N 322.409 -0.288 30 20 DBED COC1(C)CN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1 1348535423 MJGZKECOFLEWJR-GFCCVEGCSA-N 306.366 -0.568 30 20 DBED C#CCOCCN(C)C(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 1348884295 MFUYRGFQSNBJQR-JURCDPSOSA-N 316.357 -0.098 30 20 DBED C#CCN1CCC[C@H](NC(=O)N(C)CCS(N)(=O)=O)C1 1353385604 YHWIXBCJGXLVDW-NSHDSACASA-N 302.400 -0.986 30 20 DBED C[C@@H](CN(C)C(=O)c1cc(=O)n(C)cn1)NC(=O)[C@@H](C)C#N 1370539375 UIDSFOURACVDIN-UWVGGRQHSA-N 305.338 -0.483 30 20 DBED C[C@H](C#N)C(=O)N(C)C1CCN(C(=O)CCNC(N)=O)CC1 1383521907 MKMSOLWXGYOSSE-SNVBAGLBSA-N 309.370 -0.346 30 20 DBED CN(C[C@@H](O)CNC(=O)c1cc(C#N)c[nH]1)C(=O)c1ccon1 1384194166 MXGCETZNLCOPNW-JTQLQIEISA-N 317.305 -0.263 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H](CNC(=O)CCn1ccnn1)C1CC1 1385864235 GWYGLURMNWOYMZ-JQWIXIFHSA-N 304.354 -0.161 30 20 DBED C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)c1cnc(O)n1C 1386220717 XQVPEQHAGDULFR-QMMMGPOBSA-N 316.321 -0.126 30 20 DBED C[C@@H](c1nnnn1C1CC1)N1CC(O)(CNC(=O)[C@H](C)C#N)C1 1402318987 KNWDZXTWRPLLMN-ZJUUUORDSA-N 319.369 -0.608 30 20 DBED N#Cc1ccc(CC(=O)N2CCN(CC(N)=O)C(=O)C2)cc1 1412214269 LIOZDUNPPJXAJY-UHFFFAOYSA-N 300.318 -0.743 30 20 DBED CCOC(=O)[C@H](C[C@@H]1CCCO1)NC(=O)Cn1cnc(C#N)n1 1412577968 UOUZIYWMUXWTHO-QWRGUYRKSA-N 321.337 -0.233 30 20 DBED CCCN(CCNC(=O)CN1CCOCC1)C(=O)[C@@H](C)C#N 1415793386 DYQQCFLZBSANPS-ZDUSSCGKSA-N 310.398 -0.167 30 20 DBED C[C@@H](CNC(=O)c1cnnn1C)N(C)C(=O)c1cc(C#N)c[nH]1 1426641591 PFXNQSNVQQUNTN-VIFPVBQESA-N 315.337 -0.095 30 20 DBED CS(=O)(=O)CC(=O)N[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 1428099354 YEDOMEHIRAJLNR-JTQLQIEISA-N 324.362 -0.738 30 20 DBED COC[C@@H](C)CC(=O)NC[C@@H](O)CNC(=O)c1cc(C#N)c[nH]1 1431513340 HISXFJBKPMHTCE-CMPLNLGQSA-N 322.365 -0.234 30 20 DBED Cc1cc(OCC(=O)N(C)C[C@@H](O)CNC(=O)[C@H](C)C#N)no1 1444662999 MISKJWPRWOJAJV-KOLCDFICSA-N 324.337 -0.543 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@](C)(NC(=O)CCS(C)(=O)=O)C1 1459408379 QVDOJTVVORVZCP-ZWNOBZJWSA-N 315.395 -0.312 30 20 DBED CCN(CCC#N)C(=O)CN(C)CCNC(=O)c1cnnn1C 1480859898 ZFBYKLPUDMVERS-UHFFFAOYSA-N 321.385 -0.761 30 20 DBED COC(=O)NCC(=O)N1CCC(CNC(=O)[C@@H](C)C#N)CC1 1523266534 RGQQGMRLOJLWFU-JTQLQIEISA-N 310.354 -0.143 30 20 DBED C=C(CC)C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 1527425510 MISXDSDIJZXYEA-UHFFFAOYSA-N 317.411 -0.326 30 20 DBED N#Cc1nc(=N[C@H]2C[C@@H](NC(=O)[C@H]3C[C@@H]3C(=O)O)C2)cc[nH]1 1571074954 QODVIJAIUDNAHF-JXUBOQSCSA-N 301.306 -0.450 30 20 DBED C[C@H](CCCN)NC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1575942526 DBJNLZLBPSNJNX-NTZNESFSSA-N 314.411 -0.306 30 20 DBED C#CCNC(=O)Cn1nnc(-c2ccccc2)c1-c1nn[nH]n1 1588354466 ZCAPMSNZTWAGCI-UHFFFAOYSA-N 308.305 -0.125 30 20 DBED C#CC1(O)CN(C(=O)N[C@@H]2Cc3ccc(-c4nn[nH]n4)cc3C2)C1 1602690668 GLXQKGVEZYGSRX-CYBMUJFWSA-N 324.344 -0.277 30 20 DBED C#CC[C@@H](COC)NS(=O)(=O)c1ccc(-c2nn[nH]n2)o1 1602697271 LDEVEIVBVNCRLY-QMMMGPOBSA-N 311.323 -0.224 30 20 DBED C#CCNC(=O)CN1CCN(Cc2cccc(C(=O)O)n2)CC1 1602724958 LKXBPAHBDCROHA-UHFFFAOYSA-N 316.361 -0.353 30 20 DBED CN(C)S(=O)(=O)N(C)CC(=O)Nc1cnn(CC#N)c1 1645898530 GPYUIKWVUWGQNH-UHFFFAOYSA-N 300.344 -0.917 30 20 DBED COC[C@@H](O)CNCC1(NC(=O)C#CC(C)C)CCOCC1 1673728228 REXOPMJERPKSSG-AWEZNQCLSA-N 312.410 -0.092 30 20 DBED CNC(=O)NC(=O)[C@H](C)NC[C@H]1CCCN1C(=O)C#CC1CC1 1698729506 PVPIPZYCNXXNQL-WCQYABFASA-N 320.393 -0.176 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CCCN(CCCN2C(=O)CNC2=O)C1 1713059385 KPLIAFIPGVWZEA-NWDGAFQWSA-N 321.381 -0.331 30 20 DBED C=CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)CN(C)C(C)=O)C1 1714319158 ZFHPKAPPEHDZSW-AAEUAGOBSA-N 310.398 -0.654 30 20 DBED C[C@@H](CNC(=O)c1cnc2[nH]ncc2c1)NCC(=O)NCC#N 1752884606 PZLHKUUTOGZDMA-VIFPVBQESA-N 315.337 -0.694 30 20 DBED C#CCNC(=O)CN1CCC[C@@H]1CNC(=O)c1cncnc1 1753101680 VQDIJARXDLKUCT-CYBMUJFWSA-N 301.350 -0.580 30 20 DBED C=CCCCN1CC(NC(=O)Cn2ccc(=O)n(C)c2=O)C1 1753379384 QYVVZYBLQKNPDV-UHFFFAOYSA-N 306.366 -0.686 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2CN(C(=O)C[C@H](C)OC)C[C@H]2C1 1754839827 FXWXYUIOSINKEO-ZQDZILKHSA-N 321.421 -0.061 30 20 DBED COCCOCCN[C@]1(CO)CCCN(C(=O)[C@@H](C)C#N)C1 1755081759 LMENURGPSWUWIP-DZGCQCFKSA-N 313.398 -0.248 30 20 DBED CC#CCN1CCC(CO)(NC(=O)c2cn(C)c(=O)n2C)CC1 1755181910 CEITVWNANPDTOL-UHFFFAOYSA-N 320.393 -0.696 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](C)N(C)CC(=O)NCC#N 1755315941 AGZFHBMGHDPOIA-UPJWGTAASA-N 308.382 -0.346 30 20 DBED C=CCOCCN1CC(CCO)(NC(=O)c2csnn2)C1 1755335280 BILSWICBNBYPDN-UHFFFAOYSA-N 312.395 -0.093 30 20 DBED C=CCNC(=O)CN1CC([C@@H](C)NC(=O)c2ncn(C)n2)C1 1755373089 HALKVOLHTOILGV-SNVBAGLBSA-N 306.370 -0.833 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(CNC(=O)CCOCC#C)[C@H]2C1 1755422663 ICSYDRVYOBRWTH-HUUCEWRRSA-N 317.389 -0.930 30 20 DBED CN1CCC[C@H]1C(=O)N(C)[C@@H](CNCC(=O)NCC#N)C1CC1 1755555356 JJCGAYSHLKZWQN-KBPBESRZSA-N 321.425 -0.453 30 20 DBED C#CCNC[C@@H](C1CC1)N(C)C(=O)c1cn(CCOC)nn1 1755570809 JLMFIEIKRTZQAK-AWEZNQCLSA-N 305.382 -0.002 30 20 DBED COCC#CCN[C@@H](CO)CNC(=O)[C@H]1CCN(C)[C@@H](C)C1 1755637420 ZQLBYTRFGACXHL-SOUVJXGZSA-N 311.426 -0.567 30 20 DBED C#CCCN[C@@H]1C[C@@H](C)N(C(=O)CN(C)S(=O)(=O)CC)C1 1755691483 XVZFCFUPWMYXJC-CHWSQXEVSA-N 315.439 -0.130 30 20 DBED C#CCNC(=O)CNC[C@H](O)CN(C)C(=O)c1cnc(C)s1 1755774802 KWJOQYCNEOQBAC-NSHDSACASA-N 324.406 -0.777 30 20 DBED C#CCN(CCNC(=O)C[C@@H]1CCS(=O)(=O)C1)CCOC 1755839424 OELBKVXTOKIPIV-ZDUSSCGKSA-N 316.423 -0.491 30 20 DBED C#CCNCCOCCN(C)C(=O)[C@@H]1CCC[C@@H](C(N)=O)C1 1755876745 RFZCERUALFMYAK-ZIAGYGMSSA-N 309.410 -0.024 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@H](CO)CNC(=O)c1nocc1C 1756568146 MRVZDMGSOVLCRY-IINYFYTJSA-N 311.338 -0.483 30 20 DBED C=CCOCC(=O)N1CC[C@@H]1CN(C)C(=O)CCNC(N)=O 1757288466 AFDSMWBTSPAOJH-LLVKDONJSA-N 312.370 -0.693 30 20 DBED N#CCCC(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783561491 UIXBVDQQCUOOER-HNNXBMFYSA-N 319.317 -0.792 30 20 DBED CC[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CC1 1795409398 GNAWGXLMPLHJGW-YVECIDJPSA-N 321.377 -0.349 30 20 DBED C=CCNC(=O)/C=C\C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN 1795967482 WTDFWZMDTGAXSE-OCTHFLHNSA-N 320.393 -0.558 30 20 DBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C)CC1)CCO2 1834628260 VRJUWJXBORRBCH-INIZCTEOSA-N 306.362 -0.124 30 20 DBED C=CCNC(=O)NC(=O)CN1C(=O)N[C@]2(CCSC2)C1=O 22832030 UDNDJJSWCYQOFI-LBPRGKRZSA-N 312.351 -0.574 30 20 DBED Cn1c(NCCNC(=O)c2ccco2)c(C#N)c(=O)n(C)c1=O 30774488 CVWIFGRENYCCJU-UHFFFAOYSA-N 317.305 -0.609 30 20 DBED C[C@@H]1CN(S(=O)(=O)N2CCN(CCC#N)CC2)C[C@@H](C)O1 78518788 NUCIFXWKCJCWNH-CHWSQXEVSA-N 316.427 -0.128 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CCCN2C)CC1 113433400 MLCMILBEMLAJLN-AWEZNQCLSA-N 306.410 -0.636 30 20 DBED N#C[C@H]1CN(S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)CCO1 265245021 MTOXNGYAPUDLIQ-NSHDSACASA-N 321.358 -0.114 30 20 DBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC(O)C1 268899269 KROVJPPZOYABMT-SECBINFHSA-N 309.347 -0.572 30 20 DBED C#CCOc1ccccc1NC(=O)C(=O)N(C)C[C@H](O)CO 275933525 WIVLFGMLACRJSA-NSHDSACASA-N 306.318 -0.551 30 20 DBED N#Cc1ccccc1S(=O)(=O)NC[C@@H]1CC(C(N)=O)=NO1 281566507 VCHLCWSTXAQRBC-VIFPVBQESA-N 308.319 -0.533 30 20 DBED C=C(C)CN(CC)C(=O)CN1[C@H](C)C(=O)N(C)S1(=O)=O 282874691 CIARDKUESXDWFF-SNVBAGLBSA-N 303.384 -0.182 30 20 DBED C#CCNC(=O)c1ccc(NCCS(=O)(=O)N(C)C)nc1 290888384 SZGAWLNYKRVVBI-UHFFFAOYSA-N 310.379 -0.252 30 20 DBED C=C[C@H](CO)NC(=O)CCn1[nH]c(=O)c2ccccc2c1=O 292702276 NTOGKOQOAJTYOJ-SNVBAGLBSA-N 303.318 -0.257 30 20 DBED C#CCN1CCN(C(=O)CN(CCO)Cc2cccnc2)CC1 305090213 WNRAZHNXYSGSHI-UHFFFAOYSA-N 316.405 -0.347 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)NCCN1CCCOCC1 331949511 ZILDMLWXLSZQGA-LBPRGKRZSA-N 304.416 -0.365 30 20 DBED C[C@H]1CCN(S(=O)(=O)N(C)[C@H](C)CC#N)CCS1(=O)=O 331985413 MXWDDQVLIYXNDF-MNOVXSKESA-N 323.440 -0.026 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1C[C@@H](C(=O)OC)O[C@H](C)C1 338351086 RRUIPYLIHHAMKP-VWYCJHECSA-N 313.354 -0.351 30 20 DBED COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)NCC#N 339108611 QSFWLMCAJMCBED-UHFFFAOYSA-N 304.349 -0.099 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H]1CS(=O)(=O)C[C@H]1C 341969043 LJTLTADJNCUGLE-MXWKQRLJSA-N 323.440 -0.265 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCO[C@H](C(C)C)C2)C1=O 351556603 FWUFRYLOKAVBBX-NSHDSACASA-N 323.349 -0.153 30 20 DBED C[C@H](C#N)S(=O)(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 352412858 JNGZKZMZIMLNQM-NEPJUHHUSA-N 315.395 -0.201 30 20 DBED CC(C)(C)NC(=O)N1CCN(C(=O)Cn2cnc(C#N)n2)CC1 358502138 ZOPHSPQRGDCOLY-UHFFFAOYSA-N 319.369 -0.198 30 20 DBED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CC[C@@](C)(O)C2)n1 359362533 OTWBMWKROCEUPE-CQSZACIVSA-N 305.338 0.257 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N(C[C@H](O)CO)C(C)C 420760865 GMWCNRHHUDKRQY-NEPJUHHUSA-N 307.416 -0.224 30 20 DBED C#CCN(CC)C(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1 490713210 JJRYFPINQOFHHA-UHFFFAOYSA-N 313.335 -0.862 30 20 DBED C#CCNC(=O)CN1CCN(CC(=O)NCCCCC)CC1 491071279 JEIYRKVBKACTBP-UHFFFAOYSA-N 308.426 -0.340 30 20 DBED C#CCN(C(=O)C(=O)N1CCO[C@H](CN)C1)C1CCCCC1 491638811 VYPPVLWAQGLXCV-CQSZACIVSA-N 307.394 -0.033 30 20 DBED C#CCN(C)CCCNC(=O)[C@@](C)(O)Cn1ccccc1=O 491736637 UWGPAPLHQIYKHI-INIZCTEOSA-N 305.378 -0.329 30 20 DBED C#CCN1CCN(C(=O)CN2C(=O)N[C@@H](C(C)(C)C)C2=O)CC1 491748995 FOAYDIUKNOQSCZ-CYBMUJFWSA-N 320.393 -0.270 30 20 DBED C=CCOC[C@H](NC(=O)c1ccc2nnnn2c1)C(=O)OC 514836708 ZFMFBVMZLMRWIY-JTQLQIEISA-N 305.294 -0.402 30 20 DBED CCN(C[C@@H](C)C#N)C(=O)CN1C(=O)NC2(CCNCC2)C1=O 516463317 HUYLRQFKQOHTJR-NSHDSACASA-N 321.381 -0.331 30 20 DBED CC[C@](C)(C#N)NC(=O)Cn1ccc2c(=O)n(C)c(=O)n(C)c21 524770294 RRRHWCLBXTUCET-OAHLLOKOSA-N 317.349 -0.153 30 20 DBED C=CCS(=O)(=O)NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 528974126 SCMSZYQMXJERNM-VIFPVBQESA-N 310.397 -0.710 30 20 DBED C=CCn1cc(CNC(=O)N2CCS(=O)(=O)C[C@@H]2C)nn1 567734169 QYHIPTAKCRCAGU-JTQLQIEISA-N 313.383 -0.207 30 20 DBED N#CC[C@]1(O)CCN(C(=O)[C@H]2COCCN2CC(F)F)C1 592850285 REGWAUSQWUOPCZ-MFKMUULPSA-N 303.309 -0.171 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCOC[C@H]1C(=O)O 593269621 LGRDJZSRVRLBTI-ZJUUUORDSA-N 305.356 -0.502 30 20 DBED CC(C)(CNC(=O)NCC(=O)NCC#N)[C@]1(O)CCCOC1 596599514 RLNBXXKDOIGLET-AWEZNQCLSA-N 312.370 -0.507 30 20 DBED CN(CC1(O)CCCC1)C(=O)C(=O)N1CCN(CCC#N)CC1 601462156 RPUWOLGTTZAJEN-UHFFFAOYSA-N 322.409 -0.192 30 20 DBED CN1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)[C@@H](CO)C1 601468752 HOJPJYAKCAICPX-LLVKDONJSA-N 313.354 -0.006 30 20 DBED C[C@H](C#N)CNC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 609525804 ZCHPPAMACWMITE-OLZOCXBDSA-N 308.382 -0.557 30 20 DBED N#CCCn1ccc(NC(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)n1 611519265 JVXIRBUTTQNOCY-SECBINFHSA-N 317.309 -0.435 30 20 DBED C=CC[C@H](CO)CNC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1 613252218 DBIZYLNTZMTIMH-WDEREUQCSA-N 305.400 -0.797 30 20 DBED CC#CC[C@@H](CO)NC(=O)NCCCN(CC)S(C)(=O)=O 645196464 RDNFQMHJXOLQGY-LBPRGKRZSA-N 319.427 -0.269 30 20 DBED C=C[C@H](O)C(=O)NCC(=O)N1CCN(c2ccccc2)CC1 646776926 YPEYNWLGINGDLF-AWEZNQCLSA-N 303.362 -0.002 30 20 DBED COc1cc(C#N)ccc1S(=O)(=O)NN1CC(=O)N(C)C1=O 767837818 LIFFYIRYMAIVJI-UHFFFAOYSA-N 324.318 -0.346 30 20 DBED C#C[C@@H](C)NC(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 773596653 FMUVLLQIOSRCOL-VXGBXAGGSA-N 317.411 -0.204 30 20 DBED CNC(=O)[C@H](C#N)C(=O)c1ccc(OC)c(-n2cnnn2)c1 781783453 WDIMCSSIXVQAIX-SECBINFHSA-N 300.278 -0.261 30 20 DBED Cc1nn(C)c(N2CCN(Cn3ncn(C)c3=O)CC2)c1C#N 788043766 HZHDSLVAURNTCN-UHFFFAOYSA-N 316.369 -0.725 30 20 DBED C#CCC[C@H](O)CNC(=O)c1cc(S(=O)(=O)N(C)C)c[nH]1 799077576 KZDSFMWKMVJUMC-JTQLQIEISA-N 313.379 -0.231 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)c1cc(C)nc(NC)n1 805621953 NJBMXDQMLDIAFV-UHFFFAOYSA-N 307.310 -0.005 30 20 DBED CC1([C@@H]2CCCN(C(=O)NCC(=O)NCC#N)C2)OCCO1 807553608 VDDDGOCINLDCBZ-LLVKDONJSA-N 310.354 -0.189 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCC[C@@H](N(C)C)C1)[C@H]1CCCO1 809309872 RMVUNEOAMXGBIO-HZSPNIEDSA-N 307.394 -0.164 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@](C)(C#N)CC(=O)O 819720347 XDTVHHBXVNXGKT-SDBXPKJASA-N 311.294 -0.066 30 20 DBED O=C(N[C@@H]1CCCN(O)C1=O)c1cncc(-n2ccnn2)c1 820476123 IESQOFBSDRMMKO-LLVKDONJSA-N 302.294 -0.228 30 20 DBED N#CCN1CCC(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 826381988 JDVJAYMPWLWPBS-UHFFFAOYSA-N 300.326 -0.087 30 20 DBED C#Cc1cccc(CNC(=O)C(=O)N2CCO[C@@H](CN)C2)c1 842032415 CQANVFAHHOYBKM-AWEZNQCLSA-N 301.346 -0.530 30 20 DBED CCN(C(=O)c1cccc(C#CCO)c1)[C@H]1CC(=O)NC1=O 900458838 UKRNPPKUTAWLPB-ZDUSSCGKSA-N 300.314 -0.092 30 20 DBED CN(CCC#N)C[C@H](O)CNCCS(=O)(=O)N1CCCC1 905663896 INVJUXUSJASVKO-CYBMUJFWSA-N 318.443 -0.792 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](N(C)C(=O)c2nnc(O)nc2O)C1 939398254 VNQIXZQSTXGHCK-YUMQZZPRSA-N 320.309 -0.885 30 20 DBED C[C@H](C#N)C(=O)N1CCCN(C(=O)c2cn(C)c(=O)cn2)CC1 941868253 XFRJAGQTTZAIKV-LLVKDONJSA-N 317.349 -0.386 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)[C@H]1CC(=O)N(C)C1)CCO2 949104227 CZQPGLTVENJIPQ-AWEZNQCLSA-N 319.405 -0.209 30 20 DBED N#Cc1ccc(C(=O)NC[C@@H]2CCN2C(=O)[C@H]2C[C@H]2C(N)=O)[nH]1 949452382 KBRWXXBXYMJXEE-AXFHLTTASA-N 315.333 -0.662 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2CCN2C(=O)c2cn(C)nn2)cn1 951376459 GGXRRCNOXLMXTR-ZDUSSCGKSA-N 324.344 -0.164 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H](NC(=O)c2cc(=O)n(C)o2)C1 951867390 FZFAITUWNQDFCH-NXEZZACHSA-N 306.322 -0.141 30 20 DBED C=CCN1CC[C@@H](N2CCN(C(=O)Cc3nc[nH]n3)CC2)C1=O 957134960 QBANIVZDJFGJBR-GFCCVEGCSA-N 318.381 -0.722 30 20 DBED N#CCN1C[C@H](O)[C@H](CNC(=O)c2cnn3ncccc23)C1 958136186 ZSORZDDWASTXEW-MFKMUULPSA-N 300.322 -0.725 30 20 DBED C=CCN1C[C@H](O)[C@H](CNC(=O)c2ccnc3c2CC(=O)N3)C1 958214904 OHORWBQBKGGYSE-MFKMUULPSA-N 316.361 -0.215 30 20 DBED N#CCN1C[C@H](O)[C@H](CNC(=O)c2ccc3nonc3c2)C1 958361242 TUHOREDYISHHEH-MFKMUULPSA-N 301.306 -0.231 30 20 DBED CN(C(=O)C1CC1)[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1O 958391441 LSJZMBLOOGSCAE-STQMWFEESA-N 302.334 -0.060 30 20 DBED CCc1c(C(=O)NC[C@H]2CN(CC#N)C[C@@H]2O)nnn1CC 958404706 PNMNQMMLOFSOSJ-JQWIXIFHSA-N 306.370 -0.594 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cccn2C)C1 958607986 UPZXMFVMJJWNPX-DRZSPHRISA-N 304.350 -0.172 30 20 DBED C#CCCN1C[C@@H](O)[C@H](CNC(=O)c2cnc(OCC)cn2)C1 958763153 QPEKMHLKWKIGKG-TZMCWYRMSA-N 318.377 -0.079 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1ncccn1 960829146 ZYAMSFSYOMGFKR-GRYCIOLGSA-N 315.333 -0.312 30 20 DBED C#Cc1cncc(C(=O)NC2[C@@H]3CN(CC(=O)N4CCC4)C[C@@H]23)c1 961723969 UKPJNQTWKSPTQR-HUUCEWRRSA-N 324.384 -0.045 30 20 DBED CC#CCN1C[C@H]2C(NC(=O)Cc3c(C)nc(O)nc3O)[C@@H]2C1 962132472 RFXIBOYQASEMOL-VXGBXAGGSA-N 316.361 -0.192 30 20 DBED Cc1cn(C)nc1C(=O)NC[C@@H]1COCCN1C(=O)[C@H](C)C#N 964177051 ALJSMQVJNKGHMN-ZYHUDNBSSA-N 319.365 -0.155 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1COC2(C1)CN(C(C)=O)C2 965741876 YCQLKZARCFQJDK-KGLIPLIRSA-N 305.378 -0.410 30 20 DBED C=CCCN1CC[C@H](C)[C@@H](NC(=O)CN2CCNC(=O)C2)C1 967721936 MMLZSICRNGRQJF-KBPBESRZSA-N 308.426 -0.179 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)CO[C@@H]3CCOC3)C2)C1 972378345 QTRQGJQWBJKFBA-ZBFHGGJFSA-N 308.378 -0.272 30 20 DBED O=C1N[C@@H](C(=O)NC[C@H]2CCCN(C(=O)C#CC3CC3)C2)CO1 975247633 CXFZZUIVTKAQOP-CHWSQXEVSA-N 319.361 -0.137 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)[C@H]3CCCC(=O)N3C)[C@H]2C1 976974760 NFDMLXWTISOWQM-YCGPCKTQSA-N 318.377 -0.270 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)c3cc(C(N)=O)co3)[C@H]2C1 977192017 QGGUWYKINALAEA-BXSSEVMYSA-N 316.317 -0.275 30 20 DBED C[C@H]1[C@@H](NCC#N)CCN1C(=O)CCn1cc[nH]c(=O)c1=O 987192381 RGGJJTFLRSJVGV-QWRGUYRKSA-N 305.338 -0.971 30 20 DBED C#CCN[C@@H]1C[C@H](C)N(C(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 989272161 LTYZYLWEZPWDSC-GXSJLCMTSA-N 314.353 -0.480 30 20 DBED CC#CCN1CCC[C@@H](NC(=O)c2nnc(O)nc2O)[C@@H]1C 993547050 KZRCTTHLCAGCQZ-VHSXEESVSA-N 305.338 -0.111 30 20 DBED CN1CC[C@H](CC(=O)NC2CN(C(=O)C#CC3CC3)C2)C1=O 994118827 OCQKXTOGCGQWHC-GFCCVEGCSA-N 303.362 -0.405 30 20 DBED N#CCN[C@H]1CCCN(C(=O)c2coc(S(N)(=O)=O)c2)C1 999557253 SHRCETSFSOEGCE-JTQLQIEISA-N 312.351 -0.355 30 20 DBED Cn1ccc(C(=O)NCc2cn([C@H]3CCN(CC#N)C3)nn2)n1 1000047059 YDDUDTOHCXSQNC-LBPRGKRZSA-N 314.353 -0.288 30 20 DBED C[C@@H](c1nnnn1C)N1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 1010642675 JIGDCUQROJOZOJ-GXSJLCMTSA-N 314.353 -0.025 30 20 DBED C[C@]1(C(=O)N2CCN(C(=O)C#CC3CC3)CC2)CCC(=O)NC1 1011108029 XOSLHCZCRWSAES-KRWDZBQOSA-N 317.389 -0.013 30 20 DBED C=C(Cl)CN[C@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 1019444024 FGHQRTUNSUJGMR-IUCAKERBSA-N 300.746 -0.473 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)COC)[C@H]1C 1020000848 FJBOHNMUVKXZKK-IHRRRGAJSA-N 307.394 -0.164 30 20 DBED Cn1nncc1C(=O)N1C[C@@H]2CCN(C(=O)C#CC3CC3)[C@@H]2C1 1021589025 JPXFCORURXKVAP-GXTWGEPZSA-N 313.361 -0.099 30 20 DBED COc1ncccc1C(=O)N[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1O 1025464098 QQOSAQWHIJYGTQ-YUSALJHKSA-N 318.333 -0.449 30 20 DBED C#CCN[C@@H]1CC[C@H]2CN(C(=O)CN3C(=O)CN(C)C3=O)C[C@@H]21 1026415880 NDTPTVHHFGSWAB-RWMBFGLXSA-N 318.377 -0.660 30 20 DBED C=C(C)CN1CCC[C@H]1CNC(=O)[C@H]1CCS(=O)(=O)N1 1028325152 HOYBZHACEPTHCG-NWDGAFQWSA-N 301.412 -0.165 30 20 DBED C=CCn1cc(C(=O)NC2CN(Cc3ccn(C)n3)C2)nn1 1031070142 QOXRCMCHGVJBIE-UHFFFAOYSA-N 301.354 -0.188 30 20 DBED CC(C)(C)n1cc(C(=O)NC[C@@H]2CN(CC#N)CCO2)nn1 1035400366 XKMSEEFYYZLEOW-LLVKDONJSA-N 306.370 -0.013 30 20 DBED C=CCN[C@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C[C@@H]1C 1036307408 CFMSLVIADNRHDF-QWRGUYRKSA-N 306.370 -0.610 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H]2[C@H]3C[C@H]2N(CC(=O)N2CCC2)C3)c1 1037350927 OBSWXHMULSMJBH-LNSITVRQSA-N 313.361 -0.079 30 20 DBED CC#CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)CN1C(=O)NC(=O)C1(C)C 1037653040 GMQJPHAVDQIBPL-NTZNESFSSA-N 318.377 -0.471 30 20 DBED C=CCN[C@@H]1CCN(C(=O)Cn2ncn(C)c2=O)C[C@H]1CC 1037869449 OEWLMHFMPSDBEY-CHWSQXEVSA-N 307.398 -0.016 30 20 DBED CCn1ccc(C(=O)NC[C@@]2(O)CCN(C(=O)[C@H](C)C#N)C2)n1 1039713543 MSDFJIWRIZGLJO-ABAIWWIYSA-N 319.365 -0.244 30 20 DBED C#CCN1CCC[C@@]2(CCN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)C1 1040244754 MSMRPPGHNQFXID-BLLLJJGKSA-N 318.377 -0.468 30 20 DBED C=C[C@H](CC)CC(=O)NC[C@]1(O)CCN(C(=O)CC(N)=O)C1 1040630878 XNWJIFBTIGOIEQ-IAQYHMDHSA-N 311.382 -0.456 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)c2nccs2)C1 1042047375 PNYBCHAABABLON-UHFFFAOYSA-N 311.363 -0.351 30 20 DBED CN1CC[C@@H](N2CC(N(C)C(=O)c3c[nH]c(C#N)c3)C2)C1=O 1042638059 BUAHCRLMOPRYNG-CYBMUJFWSA-N 301.350 -0.127 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(O)CN(C(=O)C[C@H](C)OC)C1 1042806954 MYGWLMLFGXDPLU-SMDDNHRTSA-N 314.382 -0.572 30 20 DBED O=C(C#CC1CC1)NCC1(O)CN(C(=O)CCc2cn[nH]c2)C1 1042963827 WODZCKQQPCJDMO-UHFFFAOYSA-N 316.361 -0.555 30 20 DBED Cc1cc(C(=O)N[C@@H]2CN(c3cnc(C#N)cn3)C[C@@H]2O)no1 1043825508 HSHLYQRUZFSZHZ-NEPJUHHUSA-N 314.305 -0.376 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)CCn2ccnc2)C1 1044137546 LYLXTYQNCSXDEK-LLVKDONJSA-N 305.338 -0.878 30 20 DBED CC#CCN1CC[C@H](N2CCN(C(=O)c3nc[nH]n3)CC2)C1 1046071667 LLZBKPYDPNFPMG-ZDUSSCGKSA-N 302.382 -0.340 30 20 DBED Cc1ccoc1CC(=O)NCC1(O)CN(C(=O)[C@@H](C)C#N)C1 1046321737 HOIXQEAAABIVKJ-NSHDSACASA-N 305.334 -0.020 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCC1(O)CN(C(=O)c2cocn2)C1 1046814802 SKFGLRMUTMTEDX-PWSUYJOCSA-N 321.333 -0.431 30 20 DBED C=CCOCC(=O)N(C)[C@H]1CN(C(=O)[C@@H](C)COC)C[C@@H]1O 1048554640 BZKUADNVFPSWTQ-AVGNSLFASA-N 314.382 -0.498 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)[C@H]1CN(C(=O)[C@@H](C)OC)C[C@@H]1O 1048852611 QHSFSSFTCABDSZ-VOAKCMCISA-N 312.366 -0.910 30 20 DBED C=CCCOCC(=O)N(C)[C@H]1CN(C(=O)CCOC)C[C@@H]1O 1049007887 UOUPAYMAVNJDPN-STQMWFEESA-N 314.382 -0.354 30 20 DBED CCN(CC)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)C#N)C1 1049395319 STQLXIGMMOATSB-AVGNSLFASA-N 310.398 -0.482 30 20 DBED C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CN(C(C)=O)CCO1 1049872372 VGIUFSIUJZQCCR-OAGGEKHMSA-N 319.405 -0.068 30 20 DBED C=CCN1C[C@@H]2CCCN(C(=O)CN3CC(=O)N(C)C3=O)[C@@H]2C1 1050180328 BTSVKAUOUXETGO-QWHCGFSZSA-N 320.393 -0.011 30 20 DBED CC#CCN1CCOC[C@H]1CNC(=O)c1ccc(C(N)=O)o1 1051012859 IUZDLFGRAJDGJS-LLVKDONJSA-N 305.334 -0.168 30 20 DBED C#CCCN1CCOC[C@H]1CNC(=O)c1ncc(OC)cn1 1051014203 SJKKLJWXNDDSCV-GFCCVEGCSA-N 304.350 -0.061 30 20 DBED C#CCN1CCN([C@H]2CCN(C(=O)CO[C@H]3CCOC3)C2)CC1 1052025551 GWFAHBDNFAPNFF-HOTGVXAUSA-N 321.421 -0.356 30 20 DBED C[C@H]1CN(C(=O)CSCC#N)C[C@H]1CNC(=O)c1nc[nH]n1 1052043934 GFDJPMPYPQOONT-VHSXEESVSA-N 322.394 -0.114 30 20 DBED CC#CCN1CC2(CC[C@H](CNC(=O)[C@H]3CCNC(=O)C3)O2)C1 1053590650 NAKPTMVMZJXABD-UONOGXRCSA-N 319.405 -0.115 30 20 DBED C#CCO[C@H](C)C(=O)N[C@]1(CO)CCCN(C(=O)COC)C1 1055945955 BXKIFGGQRUDGHR-IUODEOHRSA-N 312.366 -0.859 30 20 DBED C[C@H](C(=O)N1CCN(c2ccc(C#N)nn2)CC1)S(C)(=O)=O 1056071810 GGYZEBLJGRPXCS-SNVBAGLBSA-N 323.378 -0.570 30 20 DBED C#CCOCCC(=O)N1CCC[C@](CO)(NC(=O)[C@@H](C)C#N)C1 1056097552 RKCYIZBHPORUNG-BBRMVZONSA-N 321.377 -0.344 30 20 DBED N#Cc1ccc(N2C[C@H]3C(NC(=O)Cn4ncnn4)[C@@H]3C2)nc1 1056309809 NCFHROJVTYGJIW-GHMZBOCLSA-N 310.321 -0.809 30 20 DBED CC(C)(C(N)=O)C(=O)N1CC[C@@H](Nc2cncc(C#N)n2)C1 1056720404 LMXMEIAHWXKPLA-SECBINFHSA-N 302.338 -0.127 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCCN(CCO)C(=O)COC 1056790359 ZLGJVCDNCAICCQ-NEPJUHHUSA-N 300.355 -0.839 30 20 DBED CN(c1ccc(C#N)nc1)[C@@H]1CCN(C(=O)c2nnn(C)n2)C1 1057002181 JZDJQXNXLLYIBC-GFCCVEGCSA-N 312.337 -0.172 30 20 DBED Cn1cc(C(=O)N2CCCN(c3cncc(C#N)n3)CC2)nn1 1057136071 WMWLLZHVNQKPKW-UHFFFAOYSA-N 312.337 -0.171 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)C[C@@H]1CCNC1=O 1057170844 DAEZMQLZBFAJJW-LBPRGKRZSA-N 311.382 -0.584 30 20 DBED N#Cc1nc(=NC2CCN(C(=O)c3nccnc3N)CC2)cc[nH]1 1057302108 XZELEKRYMBRAKB-UHFFFAOYSA-N 324.348 -0.141 30 20 DBED C=C[C@](C)(O)CC(=O)N(CCO)CCNC(=O)CSC 1057449695 GGHISAGSDDFDQP-ZDUSSCGKSA-N 304.412 -0.386 30 20 DBED N#Cc1ccc(N2CCC[C@H](NC(=O)[C@H]3CNC(=O)N3)C2)nc1 1058231970 XYFGXXYFIPBANN-NWDGAFQWSA-N 314.349 -0.280 30 20 DBED C#CCCCCC(=O)NCCN(CCO)C(=O)C1(C(N)=O)CC1 1058635973 QRCNMDFPTBWXDU-UHFFFAOYSA-N 323.393 -0.617 30 20 DBED C=CC(C)(C)C(=O)NCCN(CCO)C(=O)C1(C(N)=O)CC1 1058637084 CLINLPIQTNYQPW-UHFFFAOYSA-N 311.382 -0.599 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)Cc1ncccc1F 1058663556 WKPZACUNBLTMKM-NSHDSACASA-N 322.340 -0.140 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCN(CCO)C(=O)c1ccnnc1 1058936781 CPAZOUGHJPXEBQ-OAHLLOKOSA-N 322.365 -0.646 30 20 DBED CCn1nncc1C(=O)N[C@H]1C[C@H](N=c2cc[nH]c(C#N)n2)C1 1059208788 ZGGSFBQVFNWIRP-MGCOHNPYSA-N 312.337 -0.246 30 20 DBED C=CCOCC(=O)NCC[C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1 1059343964 JWCZSRYUWMDDBP-CHWSQXEVSA-N 323.393 -0.178 30 20 DBED N#Cc1nc(=N[C@H]2C[C@@H](NC(=O)C34CCN(CC3)C4)C2)cc[nH]1 1059685667 PEMXEEYLSRKAEU-TXEJJXNPSA-N 312.377 -0.075 30 20 DBED C=CCCO[C@@H](C)C(=O)NCC[C@@H]1CCN(C(=O)C(N)=O)C1 1060271950 ZTUNDUVQEPUGBO-NWDGAFQWSA-N 311.382 -0.192 30 20 DBED N#Cc1nccc(N2CCC[C@H]2CNC(=O)[C@H]2COCCO2)n1 1061297276 CTRYHBNMFAUTKH-NWDGAFQWSA-N 317.349 -0.151 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCOC[C@H]1CNC(=O)c1ccon1 1061349280 BWQBOJUNGPVHRP-ABAIWWIYSA-N 323.349 -0.041 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)c1cnns1 1061845590 JJQQDHJSKKCULY-BDAKNGLRSA-N 309.351 -0.345 30 20 DBED CN(C(=O)c1nnn(C)n1)[C@H]1CCN(c2cnc(C#N)cn2)C1 1063012873 JXOZNKSSKGOLEM-JTQLQIEISA-N 313.325 -0.777 30 20 DBED C#CCOCCC(=O)NCC1(NC(=O)[C@@H]2COC(=O)N2)CCC1 1063038600 MMTAIQAEZKWAEX-NSHDSACASA-N 323.349 -0.710 30 20 DBED N#CCSCC(=O)NC1(CNC(=O)Cn2nccn2)CCC1 1063179508 XIOQTTMCHQFGIB-UHFFFAOYSA-N 322.394 -0.310 30 20 DBED Cc1c(C(=O)N[C@H]2[C@H]3C[C@H]2N(c2cnc(C#N)cn2)C3)nnn1C 1064230136 ONNGJRGPEBTPOE-PXWWUCIGSA-N 324.348 -0.208 30 20 DBED N#Cc1ccc(N[C@]2(CO)CCCN(C(=O)CC(N)=O)C2)cn1 1066897314 YCNRQVZQPJRKCT-OAHLLOKOSA-N 317.349 -0.406 30 20 DBED C=CCOCC(=O)N(C)CCCN(C)C(=O)[C@@H]1COC(=O)N1 1066999051 MZEQNADMWXQPPC-NSHDSACASA-N 313.354 -0.396 30 20 DBED N#Cc1ccc(NC[C@H]2C[C@H](NC(=O)[C@@H]3CCNC3=O)C2)nn1 1068562069 XDHPSYVOXWNNER-YUSALJHKSA-N 314.349 -0.209 30 20 DBED CNC(=O)CC(=O)NCC1(NC(=O)C#CC(C)C)CCOCC1 1070108746 NOZWZAMXEAAXKQ-UHFFFAOYSA-N 323.393 -0.437 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)c2nc[nH]n2)CCOCC1 1070232095 BTDAZKJELHPBET-SECBINFHSA-N 306.326 -0.640 30 20 DBED C=CCOCC(=O)N[C@@H]1CCCN(C(=O)CCn2cncn2)C1 1070431980 OHGDXSSEABVQDB-CYBMUJFWSA-N 321.381 -0.022 30 20 DBED C=CCOCC(=O)N1CCC[C@@H](NC(=O)[C@H]2CN(C)C(=O)N2)C1 1070554071 DTQJOTPCARMFND-VXGBXAGGSA-N 324.381 -0.680 30 20 DBED C=CCCC(=O)N1C[C@H](C)[C@@H](NC(=O)CN2CCOCC2=O)C1 1071777746 LNQQFDNDOOOEPT-STQMWFEESA-N 323.393 -0.226 30 20 DBED C=CCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)Cn2cnnc2O)C1 1071786400 DHCVXAXCYNETPS-MNOVXSKESA-N 307.354 -0.087 30 20 DBED C#CCOCCC(=O)N1C[C@H](C)[C@H](NC(=O)Cc2cnc[nH]2)C1 1072096779 DPUXDFSSHZIEDG-GXTWGEPZSA-N 318.377 -0.045 30 20 DBED CCn1ncc(C(=O)N2CC[C@@H]3OCCN(CC#N)[C@H]3C2)n1 1074236650 PTJUOHQKZQKWLM-STQMWFEESA-N 304.354 -0.263 30 20 DBED C#CCN[C@H]1CCN(C(=O)[C@@H]2CC(=O)N(CCOC)C2)[C@H]1C 1074675716 HNGSVQLAHPUZGE-MJBXVCDLSA-N 307.394 -0.307 30 20 DBED CC(C)C#CC(=O)N1CC[C@H](NC(=O)c2nnn(C)n2)C[C@H]1C 1075109709 KMGJMMYGRNXNOC-NEPJUHHUSA-N 318.381 -0.021 30 20 DBED C#CCN1C[C@@H]2CCN(C(=O)c3coc(S(N)(=O)=O)c3)[C@@H]2C1 1075962283 IVWDNJGKCXTAPP-CMPLNLGQSA-N 323.374 -0.294 30 20 DBED C#CCN1C[C@@H]2CCN(C(=O)c3ccc(S(N)(=O)=O)o3)[C@@H]2C1 1075986840 ORZKNNRKCDQRPB-WDEREUQCSA-N 323.374 -0.294 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)c2csc(NC(C)=O)n2)C1 1077291487 JESHNXHBSFTUKO-ZYHUDNBSSA-N 322.390 -0.100 30 20 DBED C[C@@H](CCNC(=O)[C@@H](C)C#N)NC(=O)c1c[nH]c(C(N)=O)c1 1078133331 HDLXJFIAQVBKHL-IUCAKERBSA-N 305.338 -0.102 30 20 DBED C=CCO[C@H](C)C(=O)N1CCC[C@H](N(C)C(=O)C(N)=O)CC1 1079054408 IPAFFTQWHGECMW-NEPJUHHUSA-N 311.382 -0.098 30 20 DBED CCN(C(=O)C#CC1CC1)C1CN(C(=O)C[C@H](C)NC(N)=O)C1 1079739548 XSJWQTUDMWBLJH-NSHDSACASA-N 320.393 -0.094 30 20 DBED CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)[C@H]2COCCN2C)C1 1080411712 RNOBSHVPIUFRGM-WCQYABFASA-N 308.382 -0.464 30 20 DBED CCN(CC)CC(=O)N1CCC(CO)(NC(=O)[C@H](C)C#N)CC1 1080981831 NBTLQXCLLUSAJJ-CYBMUJFWSA-N 324.425 -0.042 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2ncc[nH]2)C1 1081453895 ZYDYYTNVEAONNC-WDEREUQCSA-N 308.338 -0.839 30 20 DBED O=C(Cc1ccc[nH]1)NC[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 1081526449 UDKXHKHVLRTYKA-HIFRSBDPSA-N 315.373 -0.094 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)C(C)(C)C(N)=O)C1 1081557751 ALLJITAXVZCKTJ-GHMZBOCLSA-N 311.382 -0.600 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1cnc2[nH]nnc2c1 1081803185 XHHZVDTUZHKFKM-GHMZBOCLSA-N 301.310 -0.695 30 20 DBED C=C(C)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)CN1CCCNC1=O 1083129946 NVXRRSXKPPYBPJ-UONOGXRCSA-N 322.409 -0.111 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)Cc2ccc3c(c2)CCO3)C1 1083682861 RAPNDWWJWLMULI-KGLIPLIRSA-N 301.346 -0.151 30 20 DBED Cc1ncc2n1CC[C@@H](C(=O)N[C@@H]1CN(CC#N)C[C@@H]1O)C2 1083780543 BXUVIWYJWMBJIE-BNOWGMLFSA-N 303.366 -0.561 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCc3nc[nH]c3C2)C1 1083929112 ODMBZLAOBKQVOL-GLQYFDAESA-N 302.378 -0.301 30 20 DBED C=CCN[C@H]1C[C@@H](CNC(=O)c2cn(C)c(=O)n(C)c2=O)C1 1086213968 DHGBAIHHDOJSKR-PHIMTYICSA-N 306.366 -0.632 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2CCN(Cc3cnon3)C[C@H]2O)[nH]1 1090204990 YDKQRZWGEAMILL-WCQYABFASA-N 316.321 -0.365 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2cnc3nccnc3c2)[C@H](O)C1 1090332034 QGRANZMNXUTPMH-DGCLKSJQSA-N 312.333 -0.287 30 20 DBED CO[C@@H](C)C(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1OC 1090865415 VFUNGYFNQNFSKV-MVWJERBFSA-N 305.338 -0.297 30 20 DBED CNC(=O)NCCC(=O)N1CCN(c2nccnc2C#N)CC1 1093154292 VJFWWQAMRKZNPI-UHFFFAOYSA-N 317.353 -0.684 30 20 DBED N#Cc1nccc(N2CCN(C(=O)CCCC(N)=O)CC2)n1 1093162106 QXYJOKMWDGELAT-UHFFFAOYSA-N 302.338 -0.348 30 20 DBED CS(=O)(=O)CC(=O)NC1[C@@H]2CN(c3ccc(C#N)cn3)C[C@@H]12 1093224807 BVBDSQPZDFXNLA-GHMZBOCLSA-N 320.374 -0.451 30 20 DBED N#Cc1c[nH]ccc1=NCCNC(=O)CNC(=O)c1ccccn1 1093664156 SNEUNIIIMSPIBY-UHFFFAOYSA-N 324.344 -0.272 30 20 DBED C[C@]1(CCC(=O)NCCN=c2cc[nH]c(C#N)n2)CCC(=O)N1 1093720136 COHSGYRWQRHFDQ-HNNXBMFYSA-N 316.365 -0.253 30 20 DBED N#Cc1cnc(NCCNC(=O)C[C@@H]2CCC(=O)NC2)cn1 1093924055 DXNXKUWEPRZESU-JTQLQIEISA-N 302.338 -0.207 30 20 DBED CC(C)(C)n1cnc(C(=O)NCCN=c2cc[nH]c(C#N)n2)n1 1094114760 IRASWVNTRFWARI-UHFFFAOYSA-N 314.353 -0.041 30 20 DBED Cc1ncncc1C(=O)NCc1cn(C2CN(CC#N)C2)nn1 1094275157 BSJUWDADBRKGEO-UHFFFAOYSA-N 312.337 -0.313 30 20 DBED Cc1ccc(C#N)c(NCCCNC(=O)Cn2ncnn2)n1 1094598620 SENNENAALPCKSK-UHFFFAOYSA-N 300.326 -0.133 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)[C@@H]3[C@H]4COC[C@H]43)CC2=O)C1 1094770510 CNNTZQIOVSKKBO-PBOSXPJTSA-N 305.378 -0.534 30 20 DBED Cn1cnc(C(=O)N2C[C@H]3C[C@@H](NCC#N)C[C@H]2C3)cc1=O 1094941632 RBCRBIKFOHDXKL-QJPTWQEYSA-N 301.350 -0.113 30 20 DBED C[C@H](NC(N)=O)C(=O)N1CC[C@H](N(C)c2cnc(C#N)cn2)C1 1095113105 MMIWBUIXZIGFOQ-ONGXEEELSA-N 317.353 -0.558 30 20 DBED CN(CCCNC(=O)[C@H]1C[C@H]1C(N)=O)c1cncc(C#N)n1 1095739615 YRWZKSWFZRJLTL-MNOVXSKESA-N 302.338 -0.588 30 20 DBED N#Cc1cccnc1N1CCN(CCCNC(=O)C(N)=O)CC1 1096256504 DUKINHCOGVAZOB-UHFFFAOYSA-N 316.365 -0.933 30 20 DBED CNC(=O)CCCC(=O)N[C@H]1C[C@@H](N=c2cc[nH]c(C#N)n2)C1 1097175598 CARVOKOIQRTQSU-PHIMTYICSA-N 316.365 -0.254 30 20 DBED C[C@@H](CNC(=O)C[C@H]1COC(=O)C1)N=c1cc[nH]c(C#N)n1 1097751991 ZVANWDWHTYYYNP-VHSXEESVSA-N 303.322 -0.360 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCS(=O)(=O)C1)Nc1cnc(C#N)cn1 1098136480 HRLRAEBQAOWWJJ-UWVGGRQHSA-N 323.378 -0.300 30 20 DBED C=CCOCCN(CCO)C1CCN(C(=O)c2cnn[nH]2)CC1 1098416680 CMQZPPBVRNJDMW-UHFFFAOYSA-N 323.397 -0.094 30 20 DBED CNC(=O)NCCC(=O)NCC[C@H](C)Nc1cncc(C#N)n1 1099096059 SKSURKRALUSQBO-JTQLQIEISA-N 319.369 -0.026 30 20 DBED C#CCN[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@H]1C(F)(F)F 1099256613 QBRMLASCBJYBDK-NXEZZACHSA-N 324.324 -0.357 30 20 DBED C[C@H](CCNC(=O)C[C@H]1CCNC1=O)N=c1cc[nH]c(C#N)n1 1099559357 WAFCICQZLSDHHI-GHMZBOCLSA-N 316.365 -0.397 30 20 DBED COCC#CCN1CC[C@H](NC(=O)CCn2cccn2)[C@@H](O)C1 1099684159 NYEJOFIUZJMQLP-GJZGRUSLSA-N 320.393 -0.526 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)Cc2ccoc2)[C@@H](O)C1 1099787606 YFPKSAJHQJGGQT-KBPBESRZSA-N 321.377 -0.324 30 20 DBED CC(C)C#CC(=O)N[C@H]1CCN(CC(=O)NC2CC2)C[C@H]1O 1099821016 OCQMOKSYBPIGLQ-UONOGXRCSA-N 307.394 -0.524 30 20 DBED CCOCCn1cc(C(=O)N[C@H]2CCN(CC#N)C[C@H]2O)cn1 1100051819 ZXZLUDDVAIVFES-UONOGXRCSA-N 321.381 -0.392 30 20 DBED C=CCCN1CC[C@@H](NC(=O)C2(C(=O)N(C)C)CC2)[C@H](O)C1 1100071912 LVDKGUNOUWIRKD-CHWSQXEVSA-N 309.410 -0.018 30 20 DBED C=C(Cl)CN1CC[C@@H](NC(=O)CS(=O)(=O)CC)[C@H](O)C1 1100127368 VJQZFJYILZJRAM-GHMZBOCLSA-N 324.830 -0.275 30 20 DBED C=CCCN1CC[C@@H](NC(=O)CS(=O)(=O)CC)[C@@H](O)C1 1100130268 ZJIGTXYAGWVLOR-NEPJUHHUSA-N 304.412 -0.451 30 20 DBED CCN(CCNC(=O)CCNC(=O)NC)c1ccc(C#N)nn1 1100512246 PSOGKIUUXDNBSS-UHFFFAOYSA-N 319.369 -0.390 30 20 DBED Cc1nc(NCCN(C)C(=O)[C@@H]2CNC(=O)N2)ccc1C#N 1101921614 YLCOBEXZNYBWPT-NSHDSACASA-N 302.338 -0.187 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)[C@@H]1CCN(C)C1=O 1104772153 UITFQQKEYMYEQI-GHMZBOCLSA-N 316.365 -0.493 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)CCn2cncn2)cn1 1105758562 TZVRTULPDJEMCM-ZDUSSCGKSA-N 315.337 -0.476 30 20 DBED Cc1cn(C)nc1C(=O)NC[C@H](O)CNc1ccc(C#N)nn1 1105818251 HMDIIVVNIXHSTB-LLVKDONJSA-N 315.337 -0.407 30 20 DBED COCCO[C@@H](C)C(=O)NC[C@@H](O)CNc1ccc(C#N)nn1 1105962337 FBBFPLRVFXGPCK-JQWIXIFHSA-N 323.353 -0.711 30 20 DBED N#Cc1cnc(NC[C@H](O)CNC(=O)CO[C@H]2CCOC2)cn1 1105972122 CYEKPIGUALJSSG-RYUDHWBXSA-N 321.337 -0.957 30 20 DBED Cc1nc(O)[nH]c1C(=O)NC[C@H](O)CN=c1cc[nH]cc1C#N 1106000518 HBKJKACMAXDADV-SNVBAGLBSA-N 316.321 -0.685 30 20 DBED Cc1n[nH]cc1C(=O)NC[C@H](O)CNc1nccnc1C#N 1106062048 AVBJVWKCMLGVEI-SECBINFHSA-N 301.310 -0.417 30 20 DBED Cc1n[nH]cc1C(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1 1106063153 UNCICCAUUKINRH-SECBINFHSA-N 301.310 -0.996 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)Cc2cnc[nH]2)cn1 1106130547 VXFVJXLGDKARNS-CYBMUJFWSA-N 300.322 -0.192 30 20 DBED C=CCn1cc(C(=O)NC[C@@H](O)CNc2ccnc(C)n2)nn1 1106131558 DPUHBUUKYUVPJS-NSHDSACASA-N 317.353 -0.235 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)[C@@]23COC[C@@H]2C3)cn1 1106145850 UFOVGJPDNLPSHZ-ZBINZKHDSA-N 302.334 -0.121 30 20 DBED C=CCNC[C@@H]1CN(C(=O)CN2CCN(C)C(=O)C2)C[C@H]1C 1106342908 IPJSRALMAWXFRG-ZIAGYGMSSA-N 308.426 -0.370 30 20 DBED N#Cc1cnc(NC/C=C/CNC(=O)[C@@H]2CC[C@@H]2C(N)=O)cn1 1107452714 TYSAUJPOKJCFEN-FGXISPTISA-N 314.349 -0.056 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 1108025083 SXBQJGLQNRIYIU-FMKPAKJESA-N 309.410 -0.454 30 20 DBED CC#CCN1CCO[C@@](C)(CNC(=O)[C@]2(C)CCNC2=O)C1 1108211907 YPVSBFVXCABDRM-JKSUJKDBSA-N 307.394 -0.257 30 20 DBED C[C@@H](CN=c1cc[nH]cc1C#N)NC(=O)[C@H]1CCCS1(=O)=O 1108405846 VRRGZEWTGUNROI-GXFFZTMASA-N 322.390 -0.131 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)CSCC#N)CC2=O)C1 1108511957 ZOZFFRDAYSVYMW-LLVKDONJSA-N 306.391 -0.722 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)C3(N(C)C)CCC3)CC2=O)C1 1108552461 MCRSHLQRZPFUQK-CYBMUJFWSA-N 318.421 -0.495 30 20 DBED CCc1nc(C#N)cc(N(C)C[C@@H](C)NC(=O)CNC(N)=O)n1 1108816304 NCTVVMBQCBLRRI-SECBINFHSA-N 319.369 -0.480 30 20 DBED CN(CCCN=c1cc[nH]c(C#N)n1)C(=O)[C@@H]1CCNC1=O 1109578721 NGHVOTXIAKCXDZ-SNVBAGLBSA-N 302.338 -0.833 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H](C)NC(C)=O 1110265690 WRVGRMAULVLMJJ-MYPMTAMASA-N 307.394 -0.118 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCC[C@]2(NC(=O)c2cn[nH]c2)C1 1111608640 LBMFISXDNBSWLF-BBRMVZONSA-N 315.377 -0.257 30 20 DBED CC(=O)NCC(=O)N1CCO[C@H](CNc2nccnc2C#N)C1 1111929335 DDHSYDSKPHKDPD-LLVKDONJSA-N 318.337 -0.876 30 20 DBED C[C@H]1CN(c2ccc(C#N)nn2)CC[C@@H]1NC(=O)CNC(N)=O 1112392525 ICQKJCJGJWCLIM-ONGXEEELSA-N 317.353 -0.652 30 20 DBED Cc1ccncc1C(=O)N1CCN(CC(=O)NCC#N)CC1 1112738197 AOMAFQIQFRSZTH-UHFFFAOYSA-N 301.350 -0.212 30 20 DBED N#CCN1CCN(C(=O)CCNC(=O)c2ccncc2)CC1 1112919518 HINUHCGIEOQBOV-UHFFFAOYSA-N 301.350 -0.131 30 20 DBED C[C@H](Nc1ccc(C#N)nn1)[C@@H](C)NC(=O)C1(C(N)=O)CC1 1113274296 PHDWQPLTTDKOSA-DTWKUNHWSA-N 302.338 -0.081 30 20 DBED C[C@@H](CNC(=O)Cn1cncn1)N(C)c1ccnc(C#N)n1 1113609322 HSBSUKZXNNYUFV-JTQLQIEISA-N 300.326 -0.419 30 20 DBED C[C@H](CNC(=O)[C@@H]1CCC(=O)N1)N(C)c1cnc(C#N)cn1 1113672757 QTHYASSIWXOKRN-KOLCDFICSA-N 302.338 -0.432 30 20 DBED C[C@@H](C(=O)N1CCN(CC(=O)NCC#N)CC1)c1cnn(C)c1 1113747220 MNJQMWIGUMASKP-GFCCVEGCSA-N 318.381 -0.692 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N1CC[C@](O)(CC#N)C1 1118478058 SZCCVUYAKCHOQH-OAHLLOKOSA-N 307.350 -0.638 30 20 DBED C#CCN(C(=O)C(=O)N1CCN(C(=O)COC)CC1)C(C)C 1120497447 GXSYDMHPFGFSJK-UHFFFAOYSA-N 309.366 -0.826 30 20 DBED CCCC(=O)NCC(=O)NC[C@@H](CO)Nc1ccc(C#N)nn1 1121156783 DUJACXUHRBRZGC-NSHDSACASA-N 320.353 -0.846 30 20 DBED C=CCOCC(=O)NC[C@H](CO)Nc1cc(C)nc(CO)n1 1121323457 CMWKLYUOCWBGBC-LLVKDONJSA-N 310.354 -0.631 30 20 DBED CO[C@@H](C(=O)NC[C@@H](CO)Nc1cncc(C#N)n1)C1CC1 1121506592 VJRZCQMJDSQFAM-WCQYABFASA-N 305.338 -0.338 30 20 DBED CN(C[C@@H](O)CNc1ccc(C#N)nc1)C(=O)[C@H]1COCCO1 1124047739 WOTAUTDKIZTLTI-UONOGXRCSA-N 320.349 -0.400 30 20 DBED C[C@@H](C#N)C(=O)N(C)C[C@H](O)CN=c1ccc2ncc[nH]c-2n1 1124190735 IZHVFPVDYOIVIX-WDEREUQCSA-N 314.349 -0.211 30 20 DBED CN(C[C@H](O)CNc1ccc(C#N)nc1)C(=O)[C@@H]1CCC(=O)N1 1124427901 JBSNYXTWWVVWJT-OLZOCXBDSA-N 317.349 -0.537 30 20 DBED COCCOC[C@H](O)CNCCNC(=O)c1c[nH]c(C#N)c1 1125987915 HSTVENGXNORIHQ-CYBMUJFWSA-N 310.354 -0.770 30 20 DBED C[C@H](C#N)C(=O)N(C)CCOCCNc1ccc2nnnn2n1 1127259195 PNBQDXDMIVEZCG-SNVBAGLBSA-N 318.341 -0.434 30 20 DBED C=C(C)[C@H](CC(=O)NCCN[C@H](C)C(=O)NC(N)=O)OCC 1128539737 IWYBPSHSJMBKDT-MNOVXSKESA-N 314.386 -0.353 30 20 DBED C#CCNC(=O)CNCCNC(=O)CN1CCCCCCC1=O 1128818836 IYWMHBGWZSTQAL-UHFFFAOYSA-N 322.409 -0.766 30 20 DBED COCCOCCC(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1 1129481128 HAJGNCVDLDSTDU-OLZOCXBDSA-N 322.369 -0.804 30 20 DBED CC#CCN[C@@H]1CN(C(=O)[C@H](O)C(C)C)C[C@@H]1n1ccnn1 1129803592 SPEZKSQJHQDVOE-HZSPNIEDSA-N 305.382 -0.340 30 20 DBED CCO[C@H](C(=O)N1C[C@H](n2ccnn2)[C@H](NCC#N)C1)C1CC1 1129845613 QRGPLGGTWKYGQZ-RDBSUJKOSA-N 318.381 -0.042 30 20 DBED C[C@H]1CC[C@H](NC(=O)Cn2cccn2)CN1CC(=O)NCC#N 1131787811 MJGBVGKRFGSFBD-STQMWFEESA-N 318.381 -0.508 30 20 DBED C[C@@H]1CC[C@@H](NC(=O)CCCN2C(=O)CNC2=O)CN1CC#N 1132478729 NREYBOLYRGXCJI-VXGBXAGGSA-N 321.381 -0.189 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1nccn2ccnc12 1134007685 HSVAPXHPUJCVDF-NSHDSACASA-N 314.349 -0.813 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@@H]1C[C@H]1c1cncn1C 1134046477 ZSWOLKKADDLJPH-VXGBXAGGSA-N 305.382 -0.468 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@@]1(C)CCN(C(C)=O)C1 1146995703 XKHZNWAUGZUOQH-HNNXBMFYSA-N 310.398 -0.747 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@@H]1CCC[C@@H](N(C)C)C1 1147826218 SKVOXQCFRXIKIA-ZIAGYGMSSA-N 308.426 -0.438 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)CCc1nc[nH]n1 1152628872 XAOCAPBLDOTPQG-GFCCVEGCSA-N 320.397 -0.687 30 20 DBED C=CCOCC(=O)NCCCNCC(=O)NC[C@@H]1CCCO1 1155731787 JJWQLGWQJGQSGR-ZDUSSCGKSA-N 313.398 -0.420 30 20 DBED C#CCNC(=O)CC(=O)NCCCNC[C@@H]1CCc2ncnn21 1156852801 OAIGFELVYGJTOC-LBPRGKRZSA-N 318.381 -0.999 30 20 DBED C=CCNC(=O)CNCCCNC(=O)c1cccn2nnnc12 1158849998 KVBXFAALTCQJKX-UHFFFAOYSA-N 317.353 -0.864 30 20 DBED C=CCCN1CCO[C@H]2CCN(C(=O)CNC(=O)NC)C[C@H]21 1177024524 ILOPBULETABVHH-OLZOCXBDSA-N 310.398 -0.207 30 20 DBED C[C@@H](C(=O)N1CC[C@@H](NCC(=O)NCC#N)C1)c1ccnn1C 1182670014 FRNBCWAAWKRUEB-VXGBXAGGSA-N 318.381 -0.646 30 20 DBED C#CCNC[C@H]1CCN(C(=O)c2nccnc2C(N)=O)C[C@@H]1C 1185651688 IRIBBPLZZLLURZ-NWDGAFQWSA-N 315.377 -0.104 30 20 DBED C#CCNC[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)CC12CCOCC2 1186494955 ULOYFVLBEWMYHQ-MCIONIFRSA-N 319.405 -0.414 30 20 DBED C=C(C)CN[C@@H]1CCN(C(=O)CNC(=O)Cn2cncn2)C1 1188100034 SEGZOCMKHJRWIY-GFCCVEGCSA-N 306.370 -0.839 30 20 DBED C=CCNC(=O)NC(=O)CN(C)[C@H]1CCN(C(=O)COC)C1 1188513251 QLBZERMFQAXBCQ-NSHDSACASA-N 312.370 -0.823 30 20 DBED CN(CC(=O)NCC#N)[C@@H]1CCN(C(=O)CC2CCOCC2)C1 1189460813 NFXFCYQSGDDNHO-CQSZACIVSA-N 322.409 -0.024 30 20 DBED C#CCOCCC(=O)N1CC[C@H](N(C)CC(=O)NCC#N)C1 1190120063 FOCLKZDZDNYIIC-ZDUSSCGKSA-N 306.366 -0.801 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)CSC(C)C)C1 1191135157 QPDUKZCIQCFLNH-VXGBXAGGSA-N 313.423 -0.961 30 20 DBED C=CCNC(=O)[C@@H](C)N(C)[C@@H]1CCN(C(=O)c2nnn(C)n2)C1 1191792025 YCXABNRVPGHAAK-GHMZBOCLSA-N 321.385 -0.953 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN([C@H](C)c2csnn2)C[C@H]1O 1192890762 CCXVATWTNHVWTC-NQBHXWOUSA-N 324.406 -0.200 30 20 DBED C=CCNC(=O)[C@@H](C)N(C)[C@H]1CCN(C(=O)c2nc[nH]n2)C1 1192934185 ZVHBKHULXLCJFL-MNOVXSKESA-N 306.370 -0.358 30 20 DBED CCCN(C)CC(=O)N1CC[C@H](N(C)CC(=O)NCC#N)C1 1193623047 WQYBOQVCTMMZRA-ZDUSSCGKSA-N 309.414 -0.499 30 20 DBED C=CCOCC(=O)N1CCCN(CC(=O)NC(=O)NC)CC1 1195313778 CSUFQQLDTCATDE-UHFFFAOYSA-N 312.370 -0.821 30 20 DBED CCn1nncc1C(=O)N1CCC(NCC(=O)NCC#N)CC1 1200395973 COZMYIXMIQYUBS-UHFFFAOYSA-N 319.369 -0.868 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)CN2CCOCC2=O)CCCO1 1200696963 XXXXKIHOKBHFGA-CQSZACIVSA-N 323.393 -0.924 30 20 DBED CO[C@H](C(=O)N1CCCO[C@@H](CNCC#N)C1)c1cnn(C)c1 1201079284 HSUWQGKALAFVTP-KBPBESRZSA-N 321.381 -0.162 30 20 DBED C#CCNC[C@@H]1CN(C(=O)CCc2cnn(C)n2)CCCO1 1201420877 PZZFKDAZCZLHGO-CQSZACIVSA-N 305.382 -0.412 30 20 DBED COCC#CCN[C@H]1CCCN(C(=O)C[C@H]2CCNC2=O)C1 1208325599 SYRSUFDSPSDCAY-KGLIPLIRSA-N 307.394 -0.257 30 20 DBED C#CCN1C[C@@H](NC(=O)CS(=O)(=O)N(CC)CC)[C@H](C)C1 1209054741 HKGUTNHTVDXQJT-CHWSQXEVSA-N 315.439 -0.272 30 20 DBED N#CCNC(=O)CN[C@H]1CCCN(C(=O)[C@@]2(F)CCOC2)C1 1209242925 QVITXQKMALRTEN-SMDDNHRTSA-N 312.345 -0.665 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CCCN(C(=O)C2(C(N)=O)CC2)C1 1209346127 QESJOISBTZBUCT-NWDGAFQWSA-N 322.409 -0.477 30 20 DBED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)C1=COCCC1 1211997228 LXKAHDSZNQOVLB-CHWSQXEVSA-N 322.365 -0.864 30 20 DBED CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)C#CC(C)C)C[C@H]1C 1214582280 MPPHRXRONZSQAR-CHWSQXEVSA-N 322.409 -0.072 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2cnn[nH]2)C[C@H]1C 1215047268 LUAQQAWEJCOKRG-CKYFFXLPSA-N 306.370 -0.455 30 20 DBED Cc1ccn(CC(=O)N2C[C@@H](NCC(=O)NCC#N)[C@H](C)C2)n1 1215579164 IEZRDHGEHCWPBV-DGCLKSJQSA-N 318.381 -0.732 30 20 DBED C=CCCC(=O)N[C@@H]1CN(C[C@H](C)CS(C)(=O)=O)C[C@@H]1O 1219346157 DEMPSXMIRDAODD-XQQFMLRXSA-N 318.439 -0.205 30 20 DBED CCn1c(C)nnc1CN1C[C@H](O)[C@H](NC(=O)[C@@H](C)C#N)C1 1219379658 WBMZCMCVXKMOTF-WCQGTBRESA-N 306.370 -0.573 30 20 DBED C[C@H](CC(=O)N[C@@H]1CN(CC#N)C[C@@H]1O)N1CCCCC1=O 1219629022 WLOMTQNZKBMUTD-UPJWGTAASA-N 308.382 -0.538 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)COCc2nnc(C)s2)C1 1219951598 RHAPZAHAYLJCQE-MNOVXSKESA-N 310.379 -0.842 30 20 DBED C=CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3ccnn3C)[C@@H]2C1 1221414311 WIIIEBUDQQQIEB-TZMCWYRMSA-N 317.393 -0.131 30 20 DBED N#CCNC(=O)CN1CC[C@@H]2CN(C(=O)Cn3ccnc3)[C@@H]2C1 1222093854 QPXAXFNAXJHEGI-CHWSQXEVSA-N 316.365 -0.944 30 20 DBED C=CCOC[C@@H]1NC(=O)N(C[C@@H]2CCS(=O)(=O)C2)C1=O 1257783992 AMHBNKRCSSIILI-UWVGGRQHSA-N 302.352 -0.456 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CCC[C@@H](CN)C2)nn1 1261434898 BAJWXWARFDDLTG-NSHDSACASA-N 306.370 -0.722 30 20 DBED C=CCNC(=O)CN1CCC[C@H](NC(=O)CCCC(N)=O)C1 1265234826 BWYYZWRMZNOGHQ-LBPRGKRZSA-N 310.398 -0.475 30 20 DBED N#Cc1ccc(NC(=O)C(=O)NCCN2C(=O)CNC2=O)cc1 1318577609 FKWJFDBKPWIOPZ-UHFFFAOYSA-N 315.289 -0.835 30 20 DBED C#C[C@@H](C)N(C)C(=O)C(=O)Nc1cccc(OCC(N)=O)c1 1321009292 YYVBSEJVDGCKPS-SNVBAGLBSA-N 303.318 -0.031 30 20 DBED Cn1cc([C@@H](O)CNC(=O)NC2CCN(CC#N)CC2)cn1 1322144665 NSGIDRYKCDFLNC-ZDUSSCGKSA-N 306.370 -0.259 30 20 DBED CC(C)(O)CONC(=O)NCCN/C(O)=C1\N=CC=CC1=O 1326219687 SEUHUPGUWYWFNL-ZHACJKMWSA-N 312.326 -0.486 30 20 DBED C=CC[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)C1 1328147872 YXSQQLVNHLXSDD-UPJWGTAASA-N 323.393 -0.050 30 20 DBED CO[C@@H]1CCCN(C(=O)C(=O)NC2CCN(CC#N)CC2)C1 1328683893 CRPDUUIOLHFEAS-CYBMUJFWSA-N 308.382 -0.272 30 20 DBED C=C(C)CN(C)C(=O)C(=O)NCCS(=O)(=O)NC(C)(C)C 1331006252 VRWLLVAKOQJBPF-UHFFFAOYSA-N 319.427 -0.145 30 20 DBED C=C(C)CN(C)C(=O)C(=O)NCCCCn1cc(C(N)=O)nn1 1331369481 AMWWVIRYYUFZBC-UHFFFAOYSA-N 322.369 -0.692 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)C(=O)N2CC[C@H](N3CC=CC3)C2)C1 1332387070 SNUNAWVCOOMUSE-XJKSGUPXSA-N 318.377 -0.664 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N(CC)[C@@H]2CCNC2)nn1 1337486625 XQCZHRAAPMKWKA-GFCCVEGCSA-N 306.370 -0.709 30 20 DBED C=CCCOCCNC(=O)C(=O)NC[C@]1(OC)CCOC1 1346894268 MRBCBDHROWYJHR-CQSZACIVSA-N 300.355 -0.383 30 20 DBED C=CCCCCn1nnnc1N1CCN2C(=O)NC(=O)[C@H]2C1 1352308141 OVZZDIDVVHGNNB-SNVBAGLBSA-N 305.342 -0.230 30 20 DBED CN(C)C[C@@H]1CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)C1 1362343826 VCXMMSZCCCWRNG-NSHDSACASA-N 319.365 -0.379 30 20 DBED C[C@@]1(CCCO)CCCN1C(=O)Cn1cc(C#N)c(O)nc1=O 1362615798 UPPNXWGGUONTOI-HNNXBMFYSA-N 320.349 -0.026 30 20 DBED CCc1ncncc1C(=O)NCCn1cc(C#N)c(O)nc1=O 1362691687 ZPEBQPWTCWSPTE-UHFFFAOYSA-N 314.305 -0.397 30 20 DBED COC1([C@H](C)NC(=O)Cn2cc(C#N)c(O)nc2=O)CCC1 1363056899 DRJYXOQMRVEXFO-VIFPVBQESA-N 306.322 -0.106 30 20 DBED C[C@@H](C(=O)N1CC[C@H](c2nncn2C)C1)n1cnc(C#N)n1 1363355099 MUYJTJIQIYJFLJ-UWVGGRQHSA-N 300.326 -0.145 30 20 DBED C[C@H]1CN(C(=O)NCCn2cnc(C#N)n2)CC[S@@](=O)C1 1365154950 LIDSOAXDKRYKKI-CHNSCGDPSA-N 310.383 -0.440 30 20 DBED C[C@@H](C#N)C(=O)NC1CC(N(C)C(=O)CN2CCOCC2=O)C1 1371187801 LLRJDQTZJHRRTB-UNXYVOJBSA-N 322.365 -0.890 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1cn2ccccc2n1 1392163115 QIBVCHKCZOCBSR-MNOVXSKESA-N 315.333 -0.299 30 20 DBED COCCN(CCNC(=O)c1cnccn1)C(=O)[C@H](C)C#N 1396160127 VYBFIJBUGSDZMZ-LLVKDONJSA-N 305.338 -0.159 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CCN(C(=O)c2nc3ncccn3n2)C1 1396943449 MWDFDGDWYKMUSH-ZJUUUORDSA-N 313.321 -0.385 30 20 DBED C=C(Br)CNC[C@@H](O)CNC(=O)[C@@H](C)CC(N)=O 1406246548 AXCUGCNFPSPOIB-IONNQARKSA-N 322.203 -0.527 30 20 DBED COCCn1cc(C(=O)NC[C@@H](C)NC(=O)[C@H](C)C#N)nn1 1408168165 VLVHSUNEPFQWSU-NXEZZACHSA-N 308.342 -0.681 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CCCN(C(=O)[C@@H]2CCCN2C(N)=O)C1 1409018600 YBOVJDLDGNNUPV-WOPDTQHZSA-N 321.381 -0.204 30 20 DBED C[C@@H](CO)N(CC1CCC1)C(=O)Cn1cc(C#N)c(O)nc1=O 1412060836 VHDVHZUNKKLPJR-JTQLQIEISA-N 320.349 -0.170 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CCCN(C(=O)[C@H]2CCCC(=O)N2)C1 1415960164 AGQVLJAHEZCWGP-GRYCIOLGSA-N 306.366 -0.078 30 20 DBED CCNC(=O)CCC(=O)NC[C@@]1(O)CCN(C(=O)[C@H](C)C#N)C1 1417438590 UNZTVNHUFYOXLP-ABAIWWIYSA-N 324.381 -0.858 30 20 DBED C[C@H](NC(=O)CCn1cc(C#N)c(O)nc1=O)c1ncnn1C 1417773199 MZSJFXVSPVQUPE-QMMMGPOBSA-N 317.309 -0.783 30 20 DBED C=C(Cl)CNC[C@@H]1CN(C(=O)Cn2ncnn2)CCO1 1424221829 RLPIGMJRDYXLPZ-SNVBAGLBSA-N 300.750 -0.757 30 20 DBED C[C@H](C#N)C(=O)NC1CN(C(=O)[C@H]2CCc3nnc(O)n3C2)C1 1430286476 BUOOHHVDQSMXQM-BDAKNGLRSA-N 318.337 -0.967 30 20 DBED CS(=O)(=O)N1CC(CNC(=O)C2(C#N)CCOCC2)C1 1433931271 QCGLKVKZCMAEDP-UHFFFAOYSA-N 301.368 -0.686 30 20 DBED COc1cc(C#N)ccc1C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1O 1434248366 NUJYCWNFMZYFJK-GHMZBOCLSA-N 310.331 -0.545 30 20 DBED C[C@@H](CN(C)C(=O)c1cc(C#N)c[nH]1)NCc1nnnn1C 1441513298 ZHKDXLIKQGLFNM-VIFPVBQESA-N 302.342 -0.340 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](C1CC1)N(C)C(=O)c1cn(C)nn1 1450834781 YKWYANUJNVRELW-JOYOIKCWSA-N 304.354 -0.058 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)c2ccoc2CC(N)=O)C1 1454346719 PBGKPXHORWACBX-GUBZILKMSA-N 318.333 -0.156 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N1CC[C@H](CS(N)(=O)=O)C1 1464699105 LNHFJZSXIOEXCY-ZJUUUORDSA-N 324.428 -0.924 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(CCN2CCCS2(=O)=O)CC1 1472943180 KDBINFGMHBRABI-LBPRGKRZSA-N 314.411 -0.674 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 1479949900 FUXKIZQRDNJDJR-LBPRGKRZSA-N 301.350 -0.007 30 20 DBED CC(C)C[C@H](CNC(=O)[C@@H](C)C#N)NC(=O)Cn1cnnn1 1532424148 NRGWVEZVWQOGMO-WDEREUQCSA-N 307.358 -0.520 30 20 DBED N#Cc1nc(=N[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3C(=O)O)C2)cc[nH]1 1571074957 QODVIJAIUDNAHF-UTINFBMNSA-N 301.306 -0.450 30 20 DBED C=C(Cl)C(C)(C)C(=O)NC[C@H](O)CNC(=O)CNC(=O)O 1573338669 FWAGKHIJWOSCBM-MRVPVSSYSA-N 321.761 -0.374 30 20 DBED C#CCN(C)c1nnc([C@H]2CCCNC2)n1Cc1cnnn1C 1574603847 GFKCKCQPVXCCRH-LBPRGKRZSA-N 314.397 -0.009 30 20 DBED C=CCN(CC=C)C(=O)NCCn1cnc(-c2nn[nH]n2)n1 1588632367 WDMYFGYAFNTQMB-UHFFFAOYSA-N 303.330 -0.158 30 20 DBED CN(C(=O)c1ccc(-c2nn[nH]n2)[nH]1)[C@@H]1CCN(CC#N)C1 1590991521 VKCSFIUYSDJLLW-SECBINFHSA-N 300.326 -0.135 30 20 DBED COC[C@H]1C[C@@H](O)CN1c1cnc(-c2nn[nH]n2)c(C#N)n1 1591452991 FWUDGZXMNDOMMB-HTQZYQBOSA-N 302.298 -0.886 30 20 DBED Cn1cc(C#N)c(=O)n(CC(=O)c2cc(C(=O)O)co2)c1=O 1600927509 OPUOEQBFEIAEHK-UHFFFAOYSA-N 303.230 -0.407 30 20 DBED N#Cc1ccccc1S(=O)(=O)NC(=O)[C@H]1CC[C@@H](C(=O)O)O1 1601127419 LRVAQZYHIOWXLB-ZJUUUORDSA-N 324.314 -0.005 30 20 DBED N#Cc1cnc(NCCNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)cn1 1606389602 BFGGIYDPXARSQI-UHFFFAOYSA-N 324.308 -0.302 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCCN2C)C[C@@H]1O 1719269963 XUOSWYZZWIMHRL-ILXRZTDVSA-N 321.421 -0.182 30 20 DBED C#CCNC(=O)[C@H](C)N(CC)CCCNC(=O)c1cnn[nH]1 1752195931 PUPGEUJXDKSUDK-NSHDSACASA-N 306.370 -0.616 30 20 DBED C=CCNC(=O)CN[C@H]1C[C@H](NC(=O)[C@@H]2CCCN2C(N)=O)C1 1752691867 NGZIHSINVGACHP-SRVKXCTJSA-N 323.397 -0.932 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCCN(C(=O)c2cnn(C)n2)C1 1752999313 YKVNTJHYLUMWKD-LBPRGKRZSA-N 318.381 -0.899 30 20 DBED C#CCNC(=O)CN(C)CCNC(=O)c1ncc2n1CCCC2 1753076102 UUSKMGFLCXEZTH-UHFFFAOYSA-N 317.393 -0.370 30 20 DBED C#CCNC(=O)[C@H](C)NCC[C@@H](C)NC(=O)c1cnn(C)c1C 1753950693 HDUOABHHDMJWSG-NEPJUHHUSA-N 319.409 -0.036 30 20 DBED C#CCNC(=O)CNCC[C@H](C)NC(=O)Cc1[nH]cnc1C 1754018500 UFYHHWMBPNIEIV-NSHDSACASA-N 305.382 -0.506 30 20 DBED C[C@H](CN(C)CC(=O)NCC#N)NC(=O)Cc1ccn(C)n1 1754310828 LFBJQMAKNXWIKI-LLVKDONJSA-N 306.370 -0.961 30 20 DBED C=CCNC(=O)CN1C[C@H]2C[C@H]1[C@H]2NC(=O)CCn1cccn1 1754420238 FQCQCCBAZFGMFK-WWGRRREGSA-N 317.393 -0.236 30 20 DBED C[C@@H](NCC(=O)NCC#N)[C@H]1CCN(C(=O)Cc2cnc[nH]2)C1 1754799418 MQRAKWQFMGEAPM-NEPJUHHUSA-N 318.381 -0.581 30 20 DBED C#CCCNC[C@H]1CN(C(=O)CN2CCN(C)C(=O)C2)C[C@@H]1C 1754818970 LVEWYVSKNDPHBM-GJZGRUSLSA-N 320.437 -0.532 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)Cc1nnn(C(C)(C)C)n1 1754967823 QFJWOPLCUYBHIN-GFCCVEGCSA-N 320.397 -0.579 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)Cc2ccoc2)CCO1 1754999167 CTIZMNFAKGPPKB-CQSZACIVSA-N 319.361 -0.612 30 20 DBED C#CCNC(=O)CNCC1(O)CCN(C(=O)/C(C)=C\C)CC1 1755149811 UVMLHPCWVIZORM-ACAGNQJTSA-N 307.394 -0.355 30 20 DBED C=CCNC(=O)CN(C)C[C@H]1CCCN1C(=O)CN(C)C(C)=O 1755189135 HTEJCQHZPULVHY-CQSZACIVSA-N 324.425 -0.310 30 20 DBED C[C@@H](CN1CCOCC1)C(=O)NC1(CCO)CN(CC#N)C1 1755338462 WNVJXKDQOPRUBM-ZDUSSCGKSA-N 310.398 -0.969 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C[C@H](C)NCCN1CCNC1=O 1755587175 XRNJZTUMWOHSOZ-QWHCGFSZSA-N 310.398 -0.514 30 20 DBED C[C@H](CN(C)C(=O)CC[C@H]1CCCN1C)NCC(=O)NCC#N 1755591204 HZTJLNLNTARDRV-ZIAGYGMSSA-N 323.441 -0.063 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H](CO)CNC(=O)c1cc(C)[nH]n1 1755624204 OBDIUYXIQVBEBO-WDEREUQCSA-N 309.370 -0.911 30 20 DBED Cc1cc(C(=O)N2C[C@@H](NCC(=O)NCC#N)C[C@H]2C)on1 1755671307 XNHUZCDBRFFPKF-MNOVXSKESA-N 305.338 -0.185 30 20 DBED C=CCCOCC(=O)NC[C@H](C)N(C)C(=O)c1cnn(C)n1 1756038505 WEJZACVGENADLJ-NSHDSACASA-N 309.370 -0.016 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H](C)CN(C)C(=O)CCn1cnnn1 1756486650 SGBNZPWTOWNZJB-RYUDHWBXSA-N 322.369 -0.935 30 20 DBED O=C(C#CC1CC1)NC[C@@H](CO)NC(=O)c1ccnc(F)c1 1756520222 WYMKIQUTSJUHIC-LBPRGKRZSA-N 305.309 -0.159 30 20 DBED Cn1cc(C(=O)NC[C@H](CO)NC(=O)C#CC2CC2)c(Cl)n1 1756535183 DNNFKFBMVKGFEL-SNVBAGLBSA-N 324.768 -0.306 30 20 DBED CC[C@@H](C)OCC(=O)N1C[C@H](O)[C@H](NC(=O)C#CC2CC2)C1 1757171322 OGZCPXCTNOZEBB-BNOWGMLFSA-N 308.378 -0.097 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N1CCC2(CC1)CNC(=O)C2 1771690426 WQRCBRODUKVBJE-LLVKDONJSA-N 314.411 -0.075 30 20 DBED Cn1ncc2c(O)nc(NN=Cc3cn(CC(=O)O)nn3)nc21 1776043850 FGGKLJDJKIQBKL-UHFFFAOYSA-N 317.269 -0.809 30 20 DBED C=CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ncn(C)n1)CCO2 1783916391 AIYZLGKIFSPZAV-OAHLLOKOSA-N 319.365 -0.165 30 20 DBED C#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)C1CN(C)C1)CCO2 1785426661 ABNUSEXPDXFZFJ-QGZVFWFLSA-N 319.405 -0.209 30 20 DBED CC(=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1CC1 1793258468 IQPUZYJMVOBAQN-AGGWBTHJSA-N 304.346 -0.422 30 20 DBED C[C@@H](O)C(=O)N1CCC(N2CCC(NC(=O)CC#N)CC2)CC1 1834402879 AOIFLXSHDHLUEI-GFCCVEGCSA-N 322.409 -0.148 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)CC 1847488628 KJTBYIMRIOUWBD-XDQVBPFNSA-N 308.378 -0.003 30 20 DBED C#CCOCCC(=O)NS(=O)(=O)c1ncn(C)c1Cl 165928964 WEPWCZZDENRKAK-UHFFFAOYSA-N 305.743 -0.082 30 20 DBED CN(CC(N)=O)C[C@@H]1CN(Cc2cc(C#N)n(C)c2)CCO1 276778380 PZULGYKUVJEXTJ-CQSZACIVSA-N 305.382 -0.485 30 20 DBED COCCn1cc(CNS(=O)(=O)N(C)C[C@H](C)C#N)cn1 282493173 YKBGMUMVXXVMFZ-LLVKDONJSA-N 315.399 -0.045 30 20 DBED CCn1cc(C#N)c(=O)n(Cc2oncc2C(=O)OC)c1=O 285342865 YZFNIOFVPZYYIZ-UHFFFAOYSA-N 304.262 -0.276 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H]2CCCN2CC)C1=O 299613252 ZCJFBFVIEGZRED-NSHDSACASA-N 322.365 -0.436 30 20 DBED CN1CCO[C@@H]2CN(C(O)=Nc3cccc(C(N)=O)n3)C[C@@H]21 328916205 REFRLQKLFVJXFR-WDEREUQCSA-N 305.338 -0.259 30 20 DBED CCC(=O)N1CC[C@H](N/C(O)=N/CC(=O)N2CCOCC2)C1 329236606 OJVRBWVGDLPBLX-NSHDSACASA-N 312.370 -0.640 30 20 DBED CS[C@H](CO)[C@@H](C)N/C(O)=N/CC(=O)N1CCOCC1 330676147 KBFVJOBNJUFQFD-NXEZZACHSA-N 305.400 -0.539 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N(C)[C@@H](C)CS(C)(=O)=O 332439118 DPXZYBKPXPBVGI-UWVGGRQHSA-N 311.429 -0.170 30 20 DBED C=CCN(C(=O)[C@H]1CCCC(=O)N1)[C@@H]1CCS(=O)(=O)C1 333591568 XCPJEAVDSPDIOM-GHMZBOCLSA-N 300.380 -0.143 30 20 DBED CCN(CCC#N)S(=O)(=O)NCC1(CO)CCOCC1 336887000 KIWIGXBIGARTOY-UHFFFAOYSA-N 305.400 -0.155 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1 336942991 LADAVFNEYASYCV-VWYCJHECSA-N 318.399 -0.665 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@H]1C[C@H](O)C1(C)C 337164527 XTMMBBPQBLOVKB-QWRGUYRKSA-N 305.400 -0.158 30 20 DBED Cc1ccc(S(=O)(=O)NCC(=O)NCC(=O)NCC#N)cc1 339923455 NRTGUHNZUBCNKW-UHFFFAOYSA-N 324.362 -0.971 30 20 DBED CC[C@H](C)NC(=O)[C@H](C)NC(=O)NCCn1cnc(C#N)n1 344618383 VBEITCIBPNYADM-UWVGGRQHSA-N 307.358 -0.248 30 20 DBED Cn1cc(C#N)cc1C(=O)NCCCN1CCC[C@H]1C(N)=O 349339382 CBINSFNDULKTGP-LBPRGKRZSA-N 303.366 -0.034 30 20 DBED CNC(=O)CNC(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1 352216271 GGHFYDPGCNOLQB-ZDUSSCGKSA-N 314.345 -0.089 30 20 DBED CNC(=O)CC(=O)N1C[C@@H](C#N)[C@@]2(C1)C(=O)Nc1ccccc12 356992651 YTWZVOXACWDMRH-QLJPJBMISA-N 312.329 -0.005 30 20 DBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1nc[nH]n1 359792587 AAAJBVVLEKYPHU-MRVPVSSYSA-N 320.334 -0.018 30 20 DBED Cc1cc(NC(=O)[C@H]2CN3CCCN2CC3)nn1CCC#N 367221921 UVMJBGHXFPSVFE-CYBMUJFWSA-N 302.382 0.434 30 20 DBED N#CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)N1CCOCC1 408454051 APEPXXIJAHRSIJ-GFCCVEGCSA-N 315.395 -0.057 30 20 DBED N#Cc1cc(NC(=O)C(=O)NCC(=O)NCCO)ccc1Cl 439257619 LCFIZKCTAUGBLB-UHFFFAOYSA-N 324.724 -0.625 30 20 DBED N#Cc1ccc(NC(=O)C(=O)N2CCN3C(=O)OC[C@H]3C2)nc1 495600527 GYXLUVONUDPCNH-SNVBAGLBSA-N 315.289 -0.445 30 20 DBED CC[C@@](C)(C#N)NC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 525197757 QYXVQUUJPKOUJT-HFWJBDJDSA-N 305.334 -0.043 30 20 DBED CC[C@@H](C#N)NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1 548146263 AYZNLEXLMBYCDE-QMMMGPOBSA-N 303.365 -0.086 30 20 DBED COCCCN(C)CCNC(=O)C(=O)Nc1cccc(C#N)n1 576701848 FJTNOQIMETUBCO-UHFFFAOYSA-N 319.365 -0.024 30 20 DBED C[C@@H](NC(=O)NCCn1cnc(C#N)n1)[C@@H]1CN(C)CCO1 588167407 KWOUACMZXPSGRN-MNOVXSKESA-N 307.358 -0.832 30 20 DBED CN1CCN(S(=O)(=O)c2ccc(F)cc2C#N)[C@@H](CO)C1 601469564 RGJACVDVFHBLSQ-GFCCVEGCSA-N 313.354 -0.006 30 20 DBED CN1CCN(C(=O)CN(C)C(=O)c2ccc(C#N)n2C)CC1 602196024 UNYKBYILTIDRQN-UHFFFAOYSA-N 303.366 -0.257 30 20 DBED COCCN1CCN(C(=O)Nc2nn(C)cc2C#N)CC1=O 611261854 LFGUFJWVOJNWOB-UHFFFAOYSA-N 306.326 -0.386 30 20 DBED CN(C)C(=O)Cn1cnc(NC(=O)N2CC[C@@](F)(C#N)C2)n1 615537163 ONGJNPIQCHLPMK-GFCCVEGCSA-N 309.305 -0.164 30 20 DBED CCN(CCC#N)S(=O)(=O)N[C@H](C)[C@@H]1CN(C)CCO1 619712305 YOTNHNGKKRGOKX-NEPJUHHUSA-N 304.416 -0.225 30 20 DBED C=CCN(CC=C)C(=O)Cn1cc(CN2CCNCC2)nn1 640792832 YZDGEDGAOPQQEZ-UHFFFAOYSA-N 304.398 -0.116 30 20 DBED CC#CC[C@@H](CO)NS(=O)(=O)CCCN1CCOCC1 645883694 HKHCZAZVMGDKRZ-ZDUSSCGKSA-N 304.412 -0.598 30 20 DBED C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@H]1CS(=O)(=O)C[C@H]1OC 661276939 CUQAWYNSPABRPL-NOOOWODRSA-N 318.395 -0.169 30 20 DBED C=CCN1CCC(NC(=O)CNS(=O)(=O)N(C)C)CC1 668369145 PAQGNVDXPMDGNT-UHFFFAOYSA-N 304.416 -0.851 30 20 DBED CCN(CC(=O)NC)C(=O)CNC(=O)c1ccc(C#N)cc1 726980642 CWPKFQYQUWNTFY-UHFFFAOYSA-N 302.334 -0.117 30 20 DBED C#CCNC(=O)COC(=O)c1ccc(CNS(C)(=O)=O)o1 754135747 SSXBYKCFJWOKRL-UHFFFAOYSA-N 314.319 -0.765 30 20 DBED C=CCN(CC(=O)O)C(=O)c1cc(S(N)(=O)=O)c(C)o1 762065741 BZMSXDVKEJNCTR-UHFFFAOYSA-N 302.308 -0.052 30 20 DBED C#C[C@H](N[C@H](C)C(=O)N[C@@H]1CCS(=O)(=O)C1)[C@H]1CCCO1 775792724 ILFHUHSTKLCONO-FVCCEPFGSA-N 314.407 -0.551 30 20 DBED C#C[C@H](N[C@@H](C)C(=O)N1CCN(C(C)=O)CC1)[C@H]1CCCO1 775801140 STCCXRQDUDYUNP-AEGPPILISA-N 307.394 -0.164 30 20 DBED C[C@H](OC(=O)CCn1cnccc1=O)C(=O)N(C)CCC#N 796317462 GLIHMWKJONACSB-NSHDSACASA-N 306.322 -0.063 30 20 DBED C#CCCS(=O)(=O)N1CCN([C@@H](C)CC(=O)OC)CC1 808299426 JJUDPNCYTXEFFW-LBPRGKRZSA-N 302.396 -0.091 30 20 DBED COC(=O)CC[C@]1(C)NC(=O)N(CN2CCOC[C@@H]2C#N)C1=O 811751210 JGJBFHQPIMTMOM-HZMBPMFUSA-N 324.337 -0.568 30 20 DBED C=C[C@H](O)C(=O)OCC(=O)NC1CCN(C(=O)OCC)CC1 814550521 TUZLGZYHUORUDX-NSHDSACASA-N 314.338 -0.186 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)/C=C(\C)C2CC2)CC1 831556118 HZPDBWBMNVQFAM-VAWYXSNFSA-N 311.407 -0.046 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCOC[C@H]1CC(=O)O 844791151 GQZBBNPDNBFXOC-VHSXEESVSA-N 305.356 -0.502 30 20 DBED CCOC(=O)[C@@H](CC(=O)N[C@H]1CCCN(O)C1=O)C(C)=O 854648198 ABPYVTHBRHVQOX-UWVGGRQHSA-N 300.311 -0.359 30 20 DBED C=CCCONC(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1 856032836 SJXQTRAKPPCYKP-VIFPVBQESA-N 302.356 -0.289 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H]2C[C@H]1CN2[C@H](C)C(=O)NCC#C 879354092 RHQXSVBWYKHRNI-KBXIAJHMSA-N 316.405 -0.979 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)c2cccn2C)CC1 915690905 ULXKUBNSSOCGMY-ZDUSSCGKSA-N 302.378 -0.079 30 20 DBED COCCNC(=O)[C@H](C#N)C(=O)COc1ccc(C(N)=O)cc1 920790295 VFPKNLYVPCHGGD-GFCCVEGCSA-N 319.317 -0.364 30 20 DBED C=CCOC[C@H]1NC(=O)N(CCCS(=O)(=O)CC)C1=O 927731042 CJFUWUXNZKXQTF-SNVBAGLBSA-N 304.368 -0.066 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H](NC(=O)[C@@H]3CCCO3)C2)nn1 937650613 UEFZEMRYFIWXIK-AAEUAGOBSA-N 319.365 -0.026 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](N(C)C(=O)C2CC(=O)NC(=O)C2)C1 939396621 KKGYSHJIWCKZEP-GXSJLCMTSA-N 320.349 -0.742 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)[C@@H]3COCCO3)C2)[nH]1 939505093 VOKOEVILJWSTSV-YPMHNXCESA-N 318.333 -0.368 30 20 DBED C=C[C@](C)(CC)C(=O)N1CC[C@@H](NC(=O)Cn2ncnn2)C1 940610542 DKQFVKBDSOMWIB-BXUZGUMPSA-N 306.370 -0.008 30 20 DBED Cn1nnc(C(=O)N[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)n1 942192545 SNTJVQSKMBTSNW-SECBINFHSA-N 314.309 -0.946 30 20 DBED NC(=O)C(=O)N1CCC2(CCN(C(=O)C#CC3CC3)CC2)C1 944384449 AMBMFINCTOYZSD-UHFFFAOYSA-N 303.362 -0.274 30 20 DBED C#CCCN1CC[C@H](NC(=O)CN2CCC(=O)NC2=O)C[C@@H]1C 947900329 QNSBIWPRZNUFSI-STQMWFEESA-N 320.393 -0.079 30 20 DBED C[C@@H]1C[C@H](NC(=O)c2nccnc2C(N)=O)CCN1CC#N 948016287 NVSZGDHKAAAEIZ-NXEZZACHSA-N 302.338 -0.318 30 20 DBED C[C@H](C#N)C(=O)N1CCC(NC(=O)[C@@H]2CCCNC2=O)CC1 948099537 VCRPKXBYSNEILW-ZYHUDNBSSA-N 306.366 -0.221 30 20 DBED C#CCCN1CC(N(CC)C(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 950960712 GMJPLJPOIPJTKZ-AWEZNQCLSA-N 315.377 -0.079 30 20 DBED C#Cc1cncc(C(=O)N2CCC(N(C)C(=O)C(N)=O)CC2)c1 954278537 UDLJPWIHADQXGD-UHFFFAOYSA-N 314.345 -0.389 30 20 DBED C[C@@H]1C[C@@H](NC(=O)c2nnn(C)n2)CCN1C(=O)C#CC1CC1 955669072 MRPKTXCGVVOIIT-PWSUYJOCSA-N 316.365 -0.267 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@](C)(NC(=O)C2CS(=O)(=O)C2)C1 956987601 BYFVDRPPOUPKII-ZANVPECISA-N 313.379 -0.702 30 20 DBED CC(=O)Nc1cccnc1C(=O)NC[C@@H]1CN(CC#N)C[C@H]1O 958126278 LFFUMMLOTFSVDY-DGCLKSJQSA-N 317.349 -0.414 30 20 DBED N#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cnn(CC3CC3)c2)C1 958574995 SOACIOJOPQLPDR-GXTWGEPZSA-N 303.366 -0.161 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CN(C(=O)[C@@]3(C)CNC(=O)C3)C[C@H]2C1 961940792 VKPALYXCWWOHIJ-LSSIXWDNSA-N 318.377 -0.411 30 20 DBED COc1cc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)on1 962397732 YEBAZAXKXJKXJG-HLTSFMKQSA-N 308.294 -0.856 30 20 DBED Cc1cc(C(=O)NC[C@H]2COCCN2C(=O)[C@@H](C)C#N)n(C)n1 964099818 KBPJWMGWOVVFFW-JQWIXIFHSA-N 319.365 -0.155 30 20 DBED C[C@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 966685430 WVJRRURWZGNOCP-GZMMTYOYSA-N 313.321 -0.105 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CCC(=O)NC1 969356057 ZTYNWJUTHJQVDH-XQHKEYJVSA-N 318.377 -0.126 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)[C@H]3CCN(C)C(=O)C3)C2)C1 972437854 MABJPAMVCHJOAC-YOEHRIQHSA-N 319.405 -0.209 30 20 DBED Cc1nc(O)nc(O)c1CC(=O)N1CC[C@@H](N(C)CC#N)C1 972601135 FYTWIVCYSSTJQH-SNVBAGLBSA-N 305.338 -0.205 30 20 DBED N#Cc1ccc(C(=O)NC2C[C@@H]3CC[C@H](C2)N3C(=O)C(N)=O)[nH]1 973600626 HPVPXCJZMLZVEM-FGWVZKOKSA-N 315.333 -0.377 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)C(C)(C)C(N)=O)C[C@H]21 974974698 YBUVGLDLSQRDSI-HBNTYKKESA-N 306.366 -0.283 30 20 DBED CCn1ncc(C(=O)N[C@H]2[C@@H]3CN(C(=O)[C@H](C)C#N)C[C@@H]32)n1 976449653 IHFUPEBVJQUZDT-SVDPJWKOSA-N 302.338 -0.356 30 20 DBED CN(C[C@@H]1CCN1C(=O)C#CC1CC1)C(=O)[C@H]1COCCO1 977391810 FDWAXYOICBMYRT-UONOGXRCSA-N 306.362 -0.126 30 20 DBED C#CCN1C[C@@H]2C(CNC(=O)c3nc(O)nc(O)c3OC)[C@H]2C1 978940020 JLMYGSZRLWZTJR-NXEZZACHSA-N 318.333 -0.563 30 20 DBED CN(C(=O)[C@@H]1COC(=O)N1)[C@@H]1CCCN(C(=O)C#CC2CC2)C1 984174184 HVSGWNAMGUCZJZ-OLZOCXBDSA-N 319.361 -0.042 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCC(N(C)[C@H](C)C(N)=O)CC1 985474831 GQAINSWDBHAMCG-HIFRSBDPSA-N 320.437 -0.119 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCCCN(C(=O)C(N)=O)C1 987129720 KYQUTLGKMAKBLO-UPJWGTAASA-N 323.393 -0.050 30 20 DBED CC1(C)NC(=O)N(CC(=O)N2CCCN(CC#N)CC2)C1=O 989607171 BZORAKHMWUZTNR-UHFFFAOYSA-N 307.354 -0.625 30 20 DBED C#CCN1CC[C@@]2(NC(=O)[C@@H]3CC(=O)NC(=O)N3)CCC[C@H]12 992257064 GKKXYTAPXQMVDG-PGUXBMHVSA-N 304.350 -0.669 30 20 DBED C=CCN1CC[C@]2(NC(=O)Cn3c(O)nnc3O)CCC[C@H]12 992445513 KNRASRCWAYQYDU-IINYFYTJSA-N 307.354 -0.012 30 20 DBED C=CCn1cccc1C(=O)NC1CN(C(=O)Cn2nccn2)C1 994196543 FPZILAKYNQXCHE-UHFFFAOYSA-N 314.349 -0.094 30 20 DBED C=CCN[C@@H]1CN(C(=O)CN2C(=O)CN(C)C2=O)CC1(C)C 996582965 FBDYWXKBNKYWBN-LLVKDONJSA-N 308.382 -0.107 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)[C@@H]3CCC(=O)N3)C2)cn1 997102393 RJWRKTBPWPJJTB-ZDUSSCGKSA-N 312.329 -0.718 30 20 DBED C=CCCn1cc(C(=O)N2CC(NC(=O)c3cnon3)C2)nn1 998240491 VGJMFISSNZEBOY-UHFFFAOYSA-N 317.309 -0.508 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CCN([C@@H](C)C(=O)NC)CC1 1003056943 WWSPLDCAMBNMTN-ZFWWWQNUSA-N 320.437 -0.201 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCCN(C(=O)Cc3nc[nH]n3)C2)C1 1010831259 UKJFCLVFOREMBY-NSHDSACASA-N 316.365 -0.042 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2C(NC(=O)c3coc(C(N)=O)c3)[C@@H]2C1 1013433994 BQUVIWXJEYDQHZ-SZEHBUNVSA-N 316.317 -0.275 30 20 DBED C#CCCN1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cnc(C(N)=O)n1 1017568526 AXEVITNLPVKOEU-TXEJJXNPSA-N 316.365 -0.925 30 20 DBED CNC(=O)Cc1noc(CN[C@H]2CCN(C(=O)[C@@H](C)C#N)C2)n1 1018616983 CFITVOASPZDWIA-UWVGGRQHSA-N 320.353 -0.792 30 20 DBED C[C@H](C(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O)n1cccn1 1023104564 ASTJSVLYDMSLBD-MRVWCRGKSA-N 316.361 -0.455 30 20 DBED CC#CCN1CCC[C@@H](CNC(=O)[C@@H]2CCS(=O)(=O)N2)C1 1023753709 MQKFEUBWYQBYEG-STQMWFEESA-N 313.423 -0.470 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCC(=O)N2)C1 1024594628 NDUITKHRSXGUTH-QJPTWQEYSA-N 323.393 -0.445 30 20 DBED C=C[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)C(N)=O)C1)c1ccccc1 1025388278 YAIJNJGYPJIJEB-JHJVBQTASA-N 317.345 -0.871 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2C[C@H](NC(=O)C(N)=O)C23CCC3)[nH]1 1025902592 JWCROCLHCINHPV-MNOVXSKESA-N 315.333 -0.471 30 20 DBED C#CCCN1[C@H]2CC[C@H]1CN(C(=O)[C@H]1CCS(=O)(=O)N1)C2 1029588132 IROJUQDVDTXLFI-RWMBFGLXSA-N 311.407 -0.623 30 20 DBED C[C@H](c1nnnn1C)N1C[C@@H]2C[C@H]1CN2C(=O)C#CC1CC1 1032396641 BGONIFBYFYQNIP-WXHSDQCUSA-N 300.366 -0.030 30 20 DBED C#CCCN1CC[C@H](N(C)C(=O)Cn2nc(C)n(C)c2=O)C1 1033624674 BEODRZJQWRWMPT-ZDUSSCGKSA-N 305.382 -0.554 30 20 DBED C#CCN1CCC(C(=O)N(C)[C@@H]2CCN([C@H](C)C(N)=O)C2)CC1 1033683117 DVKBALYGNFEGQP-UKRRQHHQSA-N 320.437 -0.262 30 20 DBED CC(C)(C)n1nnc(CC(=O)N[C@@H]2[C@H]3C[C@H]2N(CC#N)C3)n1 1037414948 POMHVVSDRSAHES-OPQQBVKSSA-N 303.370 -0.317 30 20 DBED C=CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1ccc(=O)n(CCOC)n1 1037500811 BKZIDRZAYIGCAL-OSAQELSMSA-N 318.377 -0.122 30 20 DBED C#CCCCC(=O)NC[C@]1(O)CCN(C(=O)c2ncc[nH]2)C1 1039572572 ABZFPKPXGMVUSR-OAHLLOKOSA-N 304.350 -0.094 30 20 DBED CCN(CC)CC(=O)N1CC[C@@](O)(CNC(=O)C#CC2CC2)C1 1039681190 VQZOPCMVXUKVBI-QGZVFWFLSA-N 321.421 -0.179 30 20 DBED CC(C)C#CC(=O)N1CC[C@](O)(CNC(=O)CC(=O)N(C)C)C1 1039753596 UEQBCZSTLXFJQR-INIZCTEOSA-N 323.393 -0.796 30 20 DBED Cc1nc[nH]c1C(=O)N1CC[C@](O)(CNC(=O)[C@H](C)C#N)C1 1040769216 JKFIGCSJFZXVOI-OTYXRUKQSA-N 305.338 -0.429 30 20 DBED Cc1n[nH]cc1C(=O)N1CC[C@@](O)(CNC(=O)[C@@H](C)C#N)C1 1040770703 UEWRNDOUVSXPBJ-LKFCYVNXSA-N 305.338 -0.429 30 20 DBED C[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)C[C@H]1Nc1cnc(C#N)cn1 1043473686 KNODFLPKCXAJEJ-DVVUODLYSA-N 315.337 -0.712 30 20 DBED C=CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2nc(C)c[nH]2)C1 1043573865 BFQPPYAPAYGFDZ-NSHDSACASA-N 322.365 -0.388 30 20 DBED C=CCCCC(=O)N1CC(O)(CNC(=O)c2cn(C)c(O)n2)C1 1045739696 QBKBRLXTUGEKHN-UHFFFAOYSA-N 322.365 -0.215 30 20 DBED CN(C(=O)CSCC#N)[C@H]1CN(C(=O)c2ncc[nH]2)C[C@@H]1O 1048301994 MDIBIHKBFYDXQD-UWVGGRQHSA-N 323.378 -0.690 30 20 DBED C#CCCN1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1c(O)nnc1O 1049866606 IJCUMOVEFLPSEK-VXGBXAGGSA-N 319.365 -0.222 30 20 DBED C[C@@H]1[C@@H](NC(=O)[C@H]2COCCO2)CCN1c1ccc(C#N)nn1 1050064759 FHHUDSWKXRVZOX-KGYLQXTDSA-N 317.349 -0.153 30 20 DBED COCCn1nccc1C(=O)NC[C@@H]1COCCN1CC#N 1050970517 HWFDSEPPLJHUGS-GFCCVEGCSA-N 307.354 -0.516 30 20 DBED C=CCN1CCN([C@@H]2CCN(C(=O)[C@@H]3CCN(C)C3=O)C2)CC1 1052066441 WBBVGNKLQDWGNY-HUUCEWRRSA-N 320.437 -0.131 30 20 DBED C#CCOCCC(=O)N1C[C@H](CNC(=O)c2cnon2)[C@@H](C)C1 1052597737 AQWSTWBFXGJLFJ-RYUDHWBXSA-N 320.349 -0.066 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)Cc1n[nH]c(C)n1)CCO2 1053247551 XCCDCLYAKQBXNN-UHFFFAOYSA-N 303.366 -0.408 30 20 DBED CC#CCN1CC2(CC[C@@H](CNC(=O)[C@H]3CCCNC3=O)O2)C1 1053614190 SYPVWKHLDUMVJB-KBPBESRZSA-N 319.405 -0.115 30 20 DBED CN1CC[C@H](C(=O)NC[C@@H]2CCC3(CN(CC#N)C3)O2)CC1=O 1053619177 MWMJZJFQAIFCPU-STQMWFEESA-N 320.393 -0.272 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)[C@@H]3CC(=O)N(C)C3)CO2)C1 1053822425 NCCFERXVVAOJSG-OLZOCXBDSA-N 305.378 -0.553 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)c3cccc(C(N)=O)c3)CO2)C1 1053849834 VRYNIWGHWYCHEH-AWEZNQCLSA-N 313.357 -0.008 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)[C@@H]3CCc4nccn4C3)CO2)C1 1053852184 HWJFWDJMLWIGSS-CHWSQXEVSA-N 315.377 -0.071 30 20 DBED C=CCOCC(=O)N1C[C@@H]2CN(C(=O)[C@H](C)NC(C)=O)C[C@@H]2C1 1055144340 HEABCCHBKMDQBL-FPMFFAJLSA-N 323.393 -0.370 30 20 DBED C=C(C)C(C)(C)C(=O)NC1CCN(CCNC(=O)C(N)=O)CC1 1055630235 XGGICZODQHWRHZ-UHFFFAOYSA-N 324.425 -0.229 30 20 DBED Cc1nnc(CC(=O)N2CCN(c3ccc(C#N)nn3)CC2)o1 1055786164 AYUXXIVTHBPSEE-UHFFFAOYSA-N 313.321 -0.069 30 20 DBED N#Cc1cccnc1N1C[C@H]2C(NC(=O)[C@@H]3COC(=O)N3)[C@@H]2C1 1056193992 JSRWIWHQNWGACT-MXWKQRLJSA-N 313.317 -0.388 30 20 DBED N#Cc1nccc(N2C[C@@H]3C(NC(=O)Cn4ccnc4)[C@H]3C2)n1 1056244302 DABLNJLNAJDQQC-QWRGUYRKSA-N 309.333 -0.204 30 20 DBED N#Cc1ccc(N2C[C@H]3C(NC(=O)Cn4nccn4)[C@@H]3C2)cn1 1056316484 XVFBWPZZBBBFIV-CHWSQXEVSA-N 309.333 -0.204 30 20 DBED C=CCO[C@H](C)C(=O)NCCN(CCO)C(=O)c1cc[nH]n1 1057048081 WSSBXQKUVBJKHD-LLVKDONJSA-N 310.354 -0.449 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCN(CCO)C(=O)Cc1cc[nH]n1 1057256903 ZEXFWDWAGUGKDC-OAHLLOKOSA-N 324.381 -0.784 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)[C@H]1CC[C@H]1C(N)=O 1057445375 RYFLJDOJONEPQF-OLZOCXBDSA-N 323.393 -0.762 30 20 DBED N#Cc1ccc(N2CCC[C@@H](NC(=O)[C@@H]3CNC(=O)N3)C2)nn1 1058231674 NVLRKUQWNDVSBJ-MNOVXSKESA-N 315.337 -0.885 30 20 DBED N#Cc1ccc(N2CC[C@H](NC(=O)[C@@H]3CNC(=O)N3)C2)cn1 1058531700 WISFLBNHIZALFW-JQWIXIFHSA-N 300.322 -0.670 30 20 DBED N#Cc1cnc(N[C@H]2C[C@H](NC(=O)[C@@H]3CC[C@H]3C(N)=O)C2)cn1 1059368382 QRARRQHBOMYXPJ-CNVPUSNMSA-N 314.349 -0.081 30 20 DBED N#Cc1ccc(C(=O)NC2(CNC(=O)CNC(N)=O)CCC2)[nH]1 1062489436 FCEONEXUIUJPOH-UHFFFAOYSA-N 318.337 -0.677 30 20 DBED CN(C(=O)c1cn(C)nn1)[C@H]1CCN(c2cnc(C#N)cn2)C1 1062925699 XKJMYDDJIRHRFI-NSHDSACASA-N 312.337 -0.172 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(NC(=O)CCNC(N)=O)CCC1 1063043372 OQUSNJLYLJDWBG-NSHDSACASA-N 324.381 -0.762 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H]1CN(C(=O)C=C(C)C)CCO1 1064802029 HXMFHVVJRSXEDD-ZDUSSCGKSA-N 321.377 -0.564 30 20 DBED N#CCSCC(=O)N1CCO[C@@H](CNC(=O)c2cocn2)C1 1064881085 NSIKHLSWZBMBGR-JTQLQIEISA-N 324.362 -0.111 30 20 DBED CC(=O)N(C)CC(=O)N1CCO[C@H](CNC(=O)C#CC2CC2)C1 1064883687 SLKPHXDYBBHZDM-CQSZACIVSA-N 321.377 -0.778 30 20 DBED C=CCCC(=O)N1CCO[C@H](CNC(=O)Cn2nccn2)C1 1064957177 CTSSKMKZUQKJKA-GFCCVEGCSA-N 307.354 -0.412 30 20 DBED C=C(C)C[C@@H](C)C(=O)NC[C@@H]1CN(C(=O)CC(N)=O)CCO1 1065000727 FMLNFFHYAPSQIS-VXGBXAGGSA-N 311.382 -0.192 30 20 DBED CC(C)(C)C#CC(=O)N1CCO[C@H](CNC(=O)c2nc[nH]n2)C1 1065139877 FTIORLMRCXWQKS-LLVKDONJSA-N 319.365 -0.189 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)[C@@H]2CCC(=O)N2)CCO1 1065401847 QKHZGFHEFRDGKE-RYUDHWBXSA-N 309.366 -0.425 30 20 DBED Cc1cc(C#N)nc(NC[C@H]2C[C@H](C)N(C(=O)C(N)=O)C2)n1 1068369800 ZTGRAOSIRVETRF-VHSXEESVSA-N 302.338 -0.209 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1COC2(C1)CN(C(=O)C1CC1)C2 1068868913 UOFWWXSJSGIJJI-YPMHNXCESA-N 306.362 -0.079 30 20 DBED C=CCN1CCn2ncc(CNC(=O)[C@@H]3CCNC3=O)c2C1 1069869764 BGGPEPVSRZFAEI-GFCCVEGCSA-N 303.366 -0.363 30 20 DBED CNC(=O)CC(=O)N1CCC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 1070650574 IGGWRQCYVYAVEA-LLVKDONJSA-N 317.349 -0.257 30 20 DBED Cn1cncc1[C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1NCC#N 1070715823 UUBJFBXPLTUKKV-VXGBXAGGSA-N 314.353 -0.881 30 20 DBED C#CCN[C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1c1cncn1C 1070715844 WERADDDNHMSIRQ-CHWSQXEVSA-N 313.365 -0.771 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)[C@@H]2CCOC[C@@H]2C)CC1 1070996562 XOMDTSHXTBBFEN-LSDHHAIUSA-N 321.421 -0.057 30 20 DBED CC#CCN1CCN([C@H]2CCCN(C(=O)COC)C2)C(=O)C1 1071252328 YETPZDKSLJCFPC-AWEZNQCLSA-N 307.394 -0.209 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)CNC(=O)OC)C[C@@H]1C 1071713950 KQGFIXHWLAZUOB-WDEREUQCSA-N 313.354 -0.492 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1C 1072522668 XIOBXLKDUVHRCT-WDEREUQCSA-N 307.354 -0.026 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)CCn2cnnn2)C[C@H]1C 1072599294 HZQLGSSVNGDQER-VXGBXAGGSA-N 322.369 -0.771 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)c2cn(CCOC)nn2)C1 1073595597 RMSDVDUPJRGQJN-ZDUSSCGKSA-N 321.381 -0.622 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)c1cscn1 1076219011 PRPOEWQPHFKEBI-JTQLQIEISA-N 322.390 -0.093 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)Cc2ccc(C(N)=O)nc2)C1 1077231558 XIYSLCURGGNJGB-ZIAGYGMSSA-N 318.377 -0.540 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2nc3cnccc3s2)C1 1077357730 IYNFGLFPQJAGSY-NXEZZACHSA-N 303.347 -0.010 30 20 DBED C=CC(C)(C)C(=O)NCC[C@H](C)NC(=O)C[C@@H]1NC(=O)NC1=O 1077741144 RNKJYHOHIOOYOX-UWVGGRQHSA-N 324.381 -0.192 30 20 DBED C[C@@H](CCNC(=O)[C@H](C)C#N)NC(=O)c1ccn2nnnc2c1 1078134625 DSLVPLVIUBRQAX-ZJUUUORDSA-N 315.337 -0.091 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)Cn2c(C)csc2=O)C1 1078164122 CICRMGITFFDJBK-VXGBXAGGSA-N 309.391 -0.597 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)Cc1cnc[nH]1 1078752077 HXYHXLPAZHNGNP-NSHDSACASA-N 319.365 -0.897 30 20 DBED C#CCCN1C[C@@H](NC(=O)c2cn(C)c(=O)nc2O)[C@H](C)C1 1080931824 MKDNCEDHGRJSNX-ZYHUDNBSSA-N 304.350 -0.441 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2ccn(C)c2)C1 1081408526 OQCAOJOYOLFWBF-KGLIPLIRSA-N 321.377 -0.223 30 20 DBED C=CCC(CC=C)C(=O)NC[C@H]1CN(C(=O)C(N)=O)C[C@@H]1O 1081510768 CRXFIELGOYHQJL-RYUDHWBXSA-N 309.366 -0.824 30 20 DBED C#CCC1(C(=O)NC[C@H]2CN(C(=O)COC)C[C@H]2O)CCC1 1081536629 PVYWSAPJMCOVRX-QWHCGFSZSA-N 308.378 -0.238 30 20 DBED C=C(C)C(C)(C)C(=O)NC[C@@H]1CN(C(=O)c2cnn[nH]2)C[C@@H]1O 1081642328 DVYXTKCKUKOWTH-PWSUYJOCSA-N 321.381 -0.044 30 20 DBED C#CCCN1C[C@@H](NC(=O)[C@H]2CN(CC)CCO2)[C@H](OC)C1 1082379097 JCHSXXTUNOPRMR-RBSFLKMASA-N 309.410 -0.454 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H](C)n1cncn1 1083056123 AIPFUUWHHABLGV-HZSPNIEDSA-N 303.366 -0.226 30 20 DBED N#Cc1ccccc1CN1C[C@H]2[C@@H](C1)OCCN2C(=O)C(N)=O 1083179493 ZUUZTJAXGKOVIA-UONOGXRCSA-N 314.345 -0.545 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)[C@H]2CCc3nnnn3CC2)C1 1083793478 TWOHXDOCUDDPAS-XQQFMLRXSA-N 320.397 -0.637 30 20 DBED CC1(C)NC(=O)N(CC(=O)N[C@@H]2CCCC[C@H]2NCC#N)C1=O 1085413252 LWZDJZALWYJFBZ-GHMZBOCLSA-N 321.381 -0.143 30 20 DBED CN(C[C@@H]1CCN1CC#N)C(=O)[C@H]1CCc2nnc(O)n2C1 1085680951 PXUVKBHWDKYSSQ-QWRGUYRKSA-N 304.354 -0.398 30 20 DBED CC(C)[C@@H](O)C(=O)N[C@@H]1CN(c2ncc(C#N)cc2F)C[C@H]1O 1090408649 YTLLCBOPNAXTEQ-JHJVBQTASA-N 322.340 -0.225 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(c2cc(F)ncn2)C[C@H]1O 1090495483 UCKPQVDNUNBIQI-GHMZBOCLSA-N 308.313 -0.679 30 20 DBED CCOCC(=O)N[C@@H]1CCN(c2cnc(C#N)cn2)C[C@H]1O 1092130022 UGELNMOGBKHUEA-VXGBXAGGSA-N 305.338 -0.559 30 20 DBED CS(=O)(=O)CC(=O)NCC1CC(N=c2cc[nH]cc2C#N)C1 1092212040 AEABFZBUFDJYQO-UHFFFAOYSA-N 322.390 -0.274 30 20 DBED C[C@H](C#N)C(=O)N1CC(n2cc(CNCc3cnon3)nn2)C1 1093311942 KHYGJMVYGATJLG-SECBINFHSA-N 316.325 -0.506 30 20 DBED CNS(=O)(=O)CC(=O)NCCNc1ccc(C#N)c(C)n1 1093660668 BBIVQUDSKKBDMX-UHFFFAOYSA-N 311.367 -0.661 30 20 DBED Cc1cc(C#N)nc(NCCNC(=O)CCn2cnnn2)n1 1093823791 QMJVMUIMDVXESG-UHFFFAOYSA-N 301.314 -0.738 30 20 DBED N#Cc1c[nH]ccc1=NCCNC(=O)CN1CCCCC1=O 1094256833 MYJOEXKLLTWEQT-UHFFFAOYSA-N 301.350 -0.084 30 20 DBED CNC(=O)NCC(=O)N1CC[C@@H](N=c2cc[nH]cc2C#N)C1 1095084890 FAUDJYHWCWKSDZ-LLVKDONJSA-N 302.338 -0.683 30 20 DBED CNC(=O)NCC(=O)N1CCC[C@H](Nc2cnc(C#N)cn2)C1 1095329896 DNMUDQQYDVGHBB-JTQLQIEISA-N 317.353 -0.320 30 20 DBED C#CCNC(=O)CC(=O)NC1CCN(c2cnc(F)cn2)CC1 1095412235 IYELTEDRYHCOHZ-UHFFFAOYSA-N 319.340 -0.160 30 20 DBED CC(=O)NCC(=O)N(C)C1CCN(c2cnc(C#N)cn2)CC1 1096094028 IWCARIAYAHWFIO-UHFFFAOYSA-N 316.365 -0.088 30 20 DBED CCC(=O)NCC(=O)N[C@H]1CCCN(c2ccc(C#N)nn2)C1 1096149068 KZFLNNPDNOCIET-LBPRGKRZSA-N 316.365 -0.041 30 20 DBED N#Cc1ccc(N2CC[C@H](NC(=O)C(=O)NCC3CC3)C2)nn1 1096417431 LFIJSFQQTNMANX-LBPRGKRZSA-N 314.349 -0.431 30 20 DBED CC[C@H](NC(C)=O)C(=O)N[C@@H]1CCN(c2ccc(C#N)nn2)C1 1096487036 ZXZCCVGVKKYGRS-OLZOCXBDSA-N 316.365 -0.042 30 20 DBED C[C@H](CNC(=O)c1nnc(O)nc1O)Nc1nccnc1C#N 1098435422 NCBLBHNILZZZSH-ZCFIWIBFSA-N 316.281 -0.825 30 20 DBED C#CCNCc1cn([C@H]2CCN(C(=O)c3n[nH]cc3F)C2)nn1 1098721413 GUIRRMIWRHHUJK-NSHDSACASA-N 317.328 -0.050 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2cnns2)[C@H](O)C1 1099696265 WGAYUXNIECTMMP-GHMZBOCLSA-N 310.379 -0.647 30 20 DBED C=CCCCN1CC[C@@H](NC(=O)CS(C)(=O)=O)[C@@H](O)C1 1099719315 ZXMHMSZHDQZLLJ-NEPJUHHUSA-N 304.412 -0.451 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2cncnc2)[C@@H](O)C1 1099785915 KCTTUOJVYCKUFC-KGLIPLIRSA-N 304.350 -0.709 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)CC(C)(F)F)[C@@H](O)C1 1099991126 FZEQBQFONPWUCT-QWRGUYRKSA-N 317.336 -0.668 30 20 DBED C#CCN1CC[C@@H](NC(=O)CNC(=O)c2cscn2)[C@H](O)C1 1100063753 BZTDKBXZMOQSHV-ZYHUDNBSSA-N 322.390 -0.943 30 20 DBED CN(CCNC(=O)c1ccc(=O)n(C)n1)c1cnc(C#N)cn1 1100095504 PCGCIULVYBCRRZ-UHFFFAOYSA-N 313.321 -0.692 30 20 DBED CN(CCNC(=O)[C@H]1CCC(=O)N1C)c1cncc(C#N)n1 1100280145 VSSANDQNGCJDPL-LLVKDONJSA-N 302.338 -0.479 30 20 DBED CC[C@H](CNC(=O)[C@H]1CCC(=O)N1)Nc1cnc(C#N)cn1 1102992424 RUFQZEPQKIACJO-MWLCHTKSSA-N 302.338 -0.066 30 20 DBED C[C@H](CN=c1cc[nH]cc1C#N)CNC(=O)Cn1cnnn1 1103851425 ITBQAAZHLNAAQY-SNVBAGLBSA-N 300.326 -0.774 30 20 DBED C[C@H](CNC(=O)[C@@H]1CC(=O)N(C)C1)CNc1nccnc1C#N 1104254763 NFWXKLIMABGIKL-WDEREUQCSA-N 316.365 -0.009 30 20 DBED C[C@@H]1CN(C(=O)CS(=O)(=O)N(C)C)C[C@H]1CCNCC#N 1104965102 WTKCFJXMJYEBHD-VXGBXAGGSA-N 316.427 -0.524 30 20 DBED C=CCCNCc1cn(C2CN(C(=O)[C@H]3COCCO3)C2)nn1 1105164673 JAPQISIBLYODCJ-CQSZACIVSA-N 321.381 -0.258 30 20 DBED C[C@H](NCc1cn(C2CN(C(=O)C#CC3CC3)C2)nn1)C(N)=O 1105233357 VMDSTUYUIAVCDE-JTQLQIEISA-N 316.365 -0.962 30 20 DBED C#CCNCc1cn(C2CN(C(=O)c3ccnnc3C)C2)nn1 1105276618 MOPXNHYJWAXDIA-UHFFFAOYSA-N 311.349 -0.204 30 20 DBED COC(=O)NCC(=O)N(C)CCN(C)c1cncc(C#N)n1 1105356072 WNIIJDOVPIFBOT-UHFFFAOYSA-N 306.326 -0.401 30 20 DBED CC#CCN[C@@H]1C[C@]2(C[C@H]1O)CN(C(=O)CC(N)=O)[C@H]2C(C)C 1105610948 ODKNSDOTCIEOFT-OMNBBPDLSA-N 321.421 -0.149 30 20 DBED CCc1cc(C(=O)NC[C@@H](O)CN=c2cc[nH]cc2C#N)n[nH]1 1105778254 PHPBVWIUQJEKAK-LBPRGKRZSA-N 314.349 -0.137 30 20 DBED Cn1cncc1C(=O)NC[C@@H](O)CNc1ccc(C#N)nc1 1106010690 CRSBKOYUWPFPNN-LBPRGKRZSA-N 300.322 -0.110 30 20 DBED CCN(C)C(C)(C)C(=O)NC[C@@H](O)CNc1cncc(C#N)n1 1106010958 HZVDPCXGURSQLN-LBPRGKRZSA-N 320.397 -0.032 30 20 DBED N#Cc1nccnc1NC[C@@H](O)CNC(=O)c1csnn1 1106053615 CYSYPVVPHKNOPN-SSDOTTSWSA-N 305.323 -0.597 30 20 DBED C#Cc1cncc(C(=O)NC[C@@H](O)CNc2nccnc2C#N)c1 1106100042 IYGDHHBWYLQOHN-ZDUSSCGKSA-N 322.328 -0.073 30 20 DBED CN(CC(=O)NC[C@H](O)CNc1nccnc1C#N)C1CCC1 1106154293 HHGDHWIAZNEION-LBPRGKRZSA-N 318.381 -0.278 30 20 DBED Cc1cnoc1C(=O)N1C[C@@H](C)[C@H](CNCC(=O)NCC#N)C1 1106830845 YKUPUWLAIZICNH-VXGBXAGGSA-N 319.365 -0.080 30 20 DBED N#Cc1nccnc1NC/C=C/CNC(=O)[C@H]1COC(=O)N1 1107174767 ALHSJLCXFORXGI-TXXBHVLJSA-N 302.294 -0.459 30 20 DBED N#Cc1cncc(NC/C=C\CNC(=O)[C@@H]2CC[C@@H]2C(N)=O)n1 1107451938 NXPPVYLYMIWRLX-YSPFUZRBSA-N 314.349 -0.056 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](C)NC(=O)Cn2cnnn2)n1 1107635771 PAVUAZJYCPXUGV-SECBINFHSA-N 301.314 -0.740 30 20 DBED CC(=O)N[C@@H](C(=O)N[C@@H](C)CN=c1cc[nH]c(C#N)n1)C(C)C 1108470417 MXUCHWYNUPJCKQ-IINYFYTJSA-N 318.381 -0.153 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CC(=O)N(C2CN(CC#CC)C2)C1 1108545863 HNHVIIVPSIBJOB-ZIAGYGMSSA-N 317.389 -0.551 30 20 DBED C[C@@H](CN(C)c1cncc(C#N)n1)NC(=O)C[C@H]1CCNC1=O 1109114880 PQFPKBWYBNNMGK-WDEREUQCSA-N 316.365 -0.185 30 20 DBED Cc1cc(C#N)nc(NC2(CNC(=O)[C@@H]3COC(=O)N3)CC2)n1 1110121761 MIKFACBJZPTBSU-JTQLQIEISA-N 316.321 -0.174 30 20 DBED C[C@@H]1C[C@@H](Nc2cnc(C#N)cn2)CCN1C(=O)CNC(N)=O 1110507368 KODGWEHYYTZRGH-ZJUUUORDSA-N 317.353 -0.192 30 20 DBED CC1(NC(=O)CNC(N)=O)CCN(c2ccnc(C#N)n2)CC1 1110571031 MCZAJHIJCVYAAT-UHFFFAOYSA-N 317.353 -0.508 30 20 DBED C[C@]1(NC(=O)Cn2nccn2)CCN(c2ccnc(C#N)n2)C1 1110789504 AZKPEGBCKDFAMU-AWEZNQCLSA-N 312.337 -0.275 30 20 DBED COCCCC(=O)N1CCO[C@H](CN=c2cc[nH]c(C#N)n2)C1 1111936874 BNEVPJBGQSRQPP-GFCCVEGCSA-N 319.365 -0.164 30 20 DBED CNC(=O)CC(=O)N1CCO[C@H](CNc2ccc(C#N)nn2)C1 1111940540 PCHLIEMFQLZWDO-LLVKDONJSA-N 318.337 -0.876 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(CC(=O)NC[C@@H]2CCOC2)CC1 1112711173 SNOBRSCYIMLFDG-STQMWFEESA-N 308.382 -0.557 30 20 DBED CN(C)CCC(=O)NC[C@@H]1CN(c2nccnc2C#N)C[C@@H]1O 1112755200 NELGXXQOHTZCLL-YPMHNXCESA-N 318.381 -0.787 30 20 DBED C=CCOCCN1CCN(C(=O)c2cc(=O)n(C)cn2)CC1 1112978622 ORQRADVJQNNAIS-UHFFFAOYSA-N 306.366 -0.259 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)Cc2nonc2C)CC1 1113480875 MUCSNYBDDCGTIG-GFCCVEGCSA-N 321.381 -0.245 30 20 DBED C[C@H](CNC(=O)c1cn(C)nn1)N(C)c1cncc(C#N)n1 1113581415 SCSVDVFUTCICBB-SECBINFHSA-N 300.326 -0.269 30 20 DBED C[C@H](C#N)C(=O)NC1[C@H]2CN(CC(=O)NC(=O)NC3CC3)C[C@H]12 1114066527 DKMZLLDZYWOIIG-MIMYLULJSA-N 319.365 -0.819 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@H]2CN(Cc3nnc(C)o3)C[C@H]12 1114157969 NVLUUMUCENXGIA-QWRGUYRKSA-N 317.349 -0.936 30 20 DBED C=C(C)CCC(=O)NC1[C@H]2CN(CCNS(C)(=O)=O)C[C@H]12 1114353827 ZXZNLNKDHQLPBQ-RYUDHWBXSA-N 315.439 -0.062 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)[C@@H](C)S(C)(=O)=O)[C@@H]2C1 1114475555 XDIDDTVNSDOJAQ-IJLUTSLNSA-N 314.407 -0.884 30 20 DBED CO[C@H](C(=O)NC1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]12)C(C)C 1114779937 CISOXVWZEWAADT-GYSYKLTISA-N 308.382 -0.656 30 20 DBED C[C@@H](CCCN=c1cc[nH]c(C#N)n1)NC(=O)Cn1cnnn1 1114839336 XSLBTTPMHOTXMC-JTQLQIEISA-N 315.341 -0.846 30 20 DBED N#CCN1C[C@@H]2C(NC(=O)CNC(=O)C3CCOCC3)[C@H]2C1 1114989796 VGZOJGHXQMPBGD-RYUDHWBXSA-N 306.366 -0.901 30 20 DBED C=CCO[C@H](C)C(=O)N[C@H]1[C@@H]2CN(Cc3ncnn3C)C[C@@H]21 1115333175 UFWWKTURCWDUNZ-NMKXLXIOSA-N 305.382 -0.047 30 20 DBED C[C@H](CN(C)C(=O)CCn1ccnn1)N=c1cc[nH]c(C#N)n1 1115673502 QSLOUFTYAKBEOB-LLVKDONJSA-N 314.353 -0.289 30 20 DBED CCOC(=O)[C@@H]1CCCN(C(=O)C(=O)N2CCO[C@H](C#N)C2)C1 1117819370 YJRNOWDKZHZWHV-VXGBXAGGSA-N 323.349 -0.461 30 20 DBED COC1(CO)CCN(C(=O)C(=O)N2CCC[C@@H](C#N)C2)CC1 1120475306 KRPMTKNBHQNBSE-LBPRGKRZSA-N 309.366 -0.252 30 20 DBED N#Cc1nccnc1N[C@@H](CO)CNC(=O)c1cnns1 1121091746 FRFCYROQNCWFNZ-SSDOTTSWSA-N 305.323 -0.597 30 20 DBED Cc1ccc(C(=O)NC[C@H](CO)N=c2cc[nH]cc2C#N)nn1 1121447343 WBHIUKMBAWXCMU-GFCCVEGCSA-N 312.333 -0.324 30 20 DBED CNC(=O)CCCC(=O)NC[C@H](CO)Nc1cncc(C#N)n1 1121463009 CKXVGAGVPDGJFR-LLVKDONJSA-N 320.353 -0.846 30 20 DBED Cc1cc(C#N)nc(N[C@H](CO)CNC(=O)[C@@]2(C)CCOC2)n1 1121914382 NUZUAGNOCKGSDH-WFASDCNBSA-N 319.365 -0.028 30 20 DBED C=CCNC(=O)CNC1CC2(C1)CC(NC(=O)c1nc[nH]n1)C2 1121924241 SUROUTNMGIIMQW-UHFFFAOYSA-N 318.381 -0.263 30 20 DBED COc1nc(C(=O)NC[C@@H](CO)Nc2ccc(C#N)nn2)co1 1122285382 AKLUZNFMXHOKLK-VIFPVBQESA-N 318.293 -0.452 30 20 DBED Cc1cc(C#N)nc(N[C@@H](CO)CNC(=O)[C@]2(F)CCOC2)n1 1122410650 IWKZLMWZAOHWNG-RISCZKNCSA-N 323.328 -0.326 30 20 DBED Cc1cc(C(=O)N(C)C[C@H](O)CNc2cnc(C#N)cn2)n[nH]1 1124097000 OVNOYVGJRNLRDI-LLVKDONJSA-N 315.337 -0.075 30 20 DBED Cc1cc(C#N)nc(NC[C@H](O)CN(C)C(=O)c2cn[nH]c2)n1 1124179018 BHJJRKCHIIBFHT-LBPRGKRZSA-N 315.337 -0.075 30 20 DBED CN(C[C@@H](O)CNc1nccnc1C#N)C(=O)c1cn(C)cn1 1124245682 GVCASZJDYJXULO-JTQLQIEISA-N 315.337 -0.373 30 20 DBED CC[C@@H](C(=O)N(C)C[C@@H](O)CNc1cnc(C#N)cn1)N(C)C 1124455989 RZSYQRIUKNZOOO-STQMWFEESA-N 320.397 -0.080 30 20 DBED COCCOC[C@@H](O)CNCCNC(=O)c1ccc(C#N)[nH]1 1125784119 WLAMIEIDORXXAP-LBPRGKRZSA-N 310.354 -0.770 30 20 DBED C#CCNC(=O)CC(=O)NCCNCc1cccc([N+](=O)[O-])c1 1125977691 DCFVDGQEPUGTOL-UHFFFAOYSA-N 318.333 -0.060 30 20 DBED CS(=O)(=O)NCCC(=O)NCCNCc1ccc(C#N)cc1 1128600904 IGSHEWZMMZUXBU-UHFFFAOYSA-N 324.406 -0.297 30 20 DBED CC#CCCCC(=O)N[C@@H]1CN(CCO)C[C@@H]1n1ccnn1 1129189422 PBNMWTMQUSSAEP-KGLIPLIRSA-N 305.382 -0.195 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1C[C@H]1c1ccnn1C 1131637056 XZWBTVJVTNQUNE-YNEHKIRRSA-N 317.393 -0.633 30 20 DBED COCC#CCN1C[C@@H](NC(=O)CN2CCOCC2)CC[C@H]1C 1131968768 RSBQDFLJGBZGRL-CVEARBPZSA-N 323.437 -0.063 30 20 DBED C#CCNC(=O)CN1C[C@H](NC(=O)Cc2cnoc2)CC[C@@H]1C 1132235316 LKZRSYUOWMGDFO-GXTWGEPZSA-N 318.377 -0.064 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)[C@H](CCC)OC 1132289945 HHRMMFKTZFEYSY-NSHDSACASA-N 314.386 -0.481 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)c1cnccn1 1133548762 AHSCREMBYVXMKU-RYUDHWBXSA-N 303.366 -0.288 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@@H]1Cc2ccncc2C1 1133877392 WUKRMOMUGYCCGD-CYBMUJFWSA-N 302.378 -0.196 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CN(CCN2CCNC2=O)CCCO1 1149405922 FZSHWTREWVSOJI-OLZOCXBDSA-N 323.397 -0.622 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H](C)N(CC)CC(=O)NC1CC1 1152854728 CGEFPHZDGRZUDY-GFCCVEGCSA-N 322.409 -0.769 30 20 DBED C=CCNC(=O)CN(CC)[C@H](C)CNC(=O)CCc1cnn[nH]1 1155325922 LGKMSMOCLRVRJF-GFCCVEGCSA-N 322.413 -0.134 30 20 DBED C[C@@H](C#N)C(=O)NCCCNCc1cc(=O)n2nccc2[nH]1 1155836747 RIZOKTOYLHFVTO-JTQLQIEISA-N 302.338 -0.222 30 20 DBED CCNC(=O)NC(=O)CNCCCNC(=O)c1ccc(C#N)[nH]1 1156703536 TUZTWTPOZTWUMJ-UHFFFAOYSA-N 320.353 -0.558 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)c2cc(=O)n(C)o2)C1=O 1157134665 PEYPAIAWDHWIRR-LLVKDONJSA-N 322.365 -0.525 30 20 DBED C#CCNC(=O)CC(=O)N1CCCC[C@@H]1CN(C)CCCO 1157836207 UAOIXMXGHSCVAU-CQSZACIVSA-N 309.410 -0.179 30 20 DBED C#CCO[C@H](C)C(=O)NCCCNC[C@@H]1CCc2ncnn21 1157874471 PNTIIISPUGPBQG-OLZOCXBDSA-N 305.382 -0.100 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@@H]1C[C@H]2CCCCN2C1 1158039271 RWSTZUOQJPCCNY-HUUCEWRRSA-N 320.437 -0.294 30 20 DBED C#CCN(C)C[C@H]1CCCCN1C(=O)[C@@H]1CC(=O)NC(=O)N1 1158530172 YARLRPZMUWDHMC-NEPJUHHUSA-N 306.366 -0.469 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)[C@@]2(F)CCOC2)C1=O 1164559473 POELEGUPFGEMJZ-IUODEOHRSA-N 313.373 -0.002 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)C2(C(N)=O)CC2)C1=O 1165605506 ZFPMIXWKVADQCE-NSHDSACASA-N 308.382 -0.865 30 20 DBED C#CCNC(=O)CNCCCNC(=O)CN1CCC(C)CC1 1169127417 OFYDEGLFMLVVOV-UHFFFAOYSA-N 308.426 -0.436 30 20 DBED C#CCNC(=O)CN1CCO[C@H]2CCN(C(=O)CC3CC3)C[C@@H]21 1176882927 VXJWISKHEBVTBE-GJZGRUSLSA-N 319.405 -0.162 30 20 DBED N#CCNC[C@@H]1C[C@H]2CC[C@H]1N(C(=O)CN1CCOCC1=O)C2 1177792688 LLOLMZNOWWPSOD-HZSPNIEDSA-N 320.393 -0.415 30 20 DBED CCn1nncc1C(=O)N1CC[C@H](NCC(=O)NCC#N)[C@@H]1C 1178627634 JFCRQDWVSHASAG-QWRGUYRKSA-N 319.369 -0.870 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2cc(C)n(C)n2)C1 1181309338 CJOYKDOHFFNDNM-CHWSQXEVSA-N 317.393 -0.329 30 20 DBED C=CCOCC(=O)N1CC[C@@H](NC[C@H](O)COCCOC)C1 1181617340 AMOHJQOBJMXQKZ-KGLIPLIRSA-N 316.398 -0.597 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2COCCN2CC)C1 1183826810 QAEXKPNPGZQLOR-KGLIPLIRSA-N 324.425 -0.800 30 20 DBED C[C@H]1CN(C(=O)CCn2ncn(C)c2=O)CC[C@H]1CNCC#N 1184874178 YGZKVXYKUYEXRP-STQMWFEESA-N 320.397 -0.430 30 20 DBED N#CCNC(=O)CN[C@@H]1CCN(C(=O)c2ccc(O)nc2)C1 1187556497 JADSQMAZSRWDGY-LLVKDONJSA-N 303.322 -0.769 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC[C@H]2CN(CC(=O)N(C)C)C[C@H]21 1187755506 NFBQBDCOZAQCHP-WOSRLPQWSA-N 309.410 -0.066 30 20 DBED C#CCCN1C[C@@H]2CCN(C(=O)CCNS(C)(=O)=O)[C@@H]2C1 1188096066 YETPNUOOHGQXDC-QWHCGFSZSA-N 313.423 -0.518 30 20 DBED C=CCOCCN1C[C@@H]2CCN(C(=O)[C@@H]3CN(C)C(=O)N3)[C@@H]2C1 1188777495 SFAIRUCIXSQVFN-MELADBBJSA-N 322.409 -0.255 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CN(Cc2ccccc2C#N)C[C@H]1O 1190709072 CKIXKRPODUAAEA-HUUCEWRRSA-N 316.361 -0.644 30 20 DBED C=CCCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2cnnn2C)C[C@H]1O 1191609319 SRHLYWSKPPSXOI-IACUBPJLSA-N 323.397 -0.542 30 20 DBED C=CCOCCCC(=O)N[C@@H]1CN([C@@H](CC)C(N)=O)C[C@H]1O 1192054392 SIYKEPUQDWYLAG-FRRDWIJNSA-N 313.398 -0.606 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)C[C@H]2CCN(C)C2)C1 1193461593 HCZWLZMVOXPJNK-HUUCEWRRSA-N 320.437 -0.390 30 20 DBED C=CCCN(C)[C@H]1CCN(C(=O)CN2C(=O)CN(C)C2=O)C1 1193905572 JVLHXTXPLRPJDW-LBPRGKRZSA-N 308.382 -0.011 30 20 DBED CN(CC#N)[C@@H]1CCN(C(=O)CS(=O)(=O)NC(C)(C)C)C1 1194104220 NXLCDYUAEKNPPU-LLVKDONJSA-N 316.427 -0.239 30 20 DBED CO[C@@H](C(=O)N1CCCN(CC(=O)NCC#N)CC1)C1CC1 1195675712 YOVQPCNSFPNXQB-CQSZACIVSA-N 308.382 -0.415 30 20 DBED N#CCNC(=O)CN1CCCN(C(=O)[C@H]2C[C@]23CCOC3)CC1 1197722060 WCHOEUOKGURATI-CJNGLKHVSA-N 320.393 -0.413 30 20 DBED Cc1nn(C)c(C)c1C[C@H](C)C(=O)N[C@@H]1CN(CC#N)C[C@H]1O 1198881416 XEVNDIDEHZFWGV-COLVAYQJSA-N 319.409 -0.100 30 20 DBED C#CCNC[C@H]1CN(C(=O)[C@H](C)S(C)(=O)=O)CCCO1 1200814586 KDNVQQKVNDOPNI-RYUDHWBXSA-N 302.396 -0.740 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C)CCCO1 1201147849 RRHQOHQIEGREPH-MGPQQGTHSA-N 307.394 -0.401 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)[C@@H]2CO[C@H](C)C2)CC1 1201336378 MSFMDQKFANEJGT-OLZOCXBDSA-N 307.394 -0.259 30 20 DBED C=CCNC[C@@H]1CN(C(=O)Cn2nc(C)n(C)c2=O)CCCO1 1201983561 PXBZBIJJXBOZQY-CYBMUJFWSA-N 323.397 -0.717 30 20 DBED CCc1cc(C(=O)N2CCC[C@@H](NCC(=O)NCC#N)C2)n[nH]1 1207385275 RJTXWYSVQKYAQA-GFCCVEGCSA-N 318.381 -0.194 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC[C@@H](NCc2ncnn2C)C1 1208017668 DNFPHCAWSHTTTN-QWHCGFSZSA-N 305.382 -0.066 30 20 DBED C#CCN[C@H]1CCCN(C(=O)CN(C)CC(=O)NC(C)C)C1 1208494560 AUACXIWHFDFKLE-AWEZNQCLSA-N 308.426 -0.343 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)c2ccncn2)[C@H](C)C1 1209606075 GZQYHQHHHYZTHE-MBNYWOFBSA-N 315.377 -0.335 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2[nH]cnc2CC)[C@H](C)C1 1210683526 BSXIWBJCHRAAQB-DGCLKSJQSA-N 317.393 -0.228 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(CCn2cncn2)C[C@H]1OC 1212189203 XTFCGNWOUONERX-ZIAGYGMSSA-N 305.382 -0.103 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(CC(=O)N(C)C)C[C@H]1OC 1213959456 LLLHWWXFERCUJX-CHWSQXEVSA-N 313.398 -0.517 30 20 DBED C[C@@H]1CN(C(=O)CCn2cccn2)C[C@H]1NCC(=O)NCC#N 1214154296 YCKLATBDRVSMID-CHWSQXEVSA-N 318.381 -0.651 30 20 DBED C=CCOCC(=O)N1C[C@@H](NCCN2C(=O)CNC2=O)[C@H](C)C1 1214330021 QNVHSGADIJIBGB-VXGBXAGGSA-N 324.381 -0.823 30 20 DBED C=C(C)CN[C@@H]1CN(C(=O)CCNS(C)(=O)=O)C[C@H]1C 1214762194 UNKGQVVNASBUEM-VXGBXAGGSA-N 303.428 -0.062 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C 1215540570 MOHJBJCFHAYZQC-RRFJBIMHSA-N 320.437 -0.486 30 20 DBED C=CCN[C@@H]1CN(C(=O)CNS(=O)(=O)N(C)C)C[C@H]1C 1215709761 FKZWDIPISXHMQM-GHMZBOCLSA-N 304.416 -0.995 30 20 DBED C[C@@H]1CN(C(=O)CCCCC(N)=O)C[C@H]1NCC(=O)NCC#N 1216280284 SBGISNYHMMKFBG-VXGBXAGGSA-N 323.397 -0.892 30 20 DBED CC(C)C#CC(=O)N1CCO[C@@H]2CN([C@@H]3CCNC3=O)C[C@@H]21 1217852246 HGSRTDWZEHFLDF-HZSPNIEDSA-N 305.378 -0.554 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)c2ccncc2F)C1 1219402917 MHQWZSYURJQAFT-KGLIPLIRSA-N 307.325 -0.355 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)C2(S(C)(=O)=O)CCCC2)C1 1220543052 YCEDIULXCHPZJW-NEPJUHHUSA-N 316.423 -0.309 30 20 DBED CO[C@H](C(=O)N1C[C@H]2CCN(CC(=O)NCC#N)C[C@H]21)C(C)C 1221789990 BQOGBOGDUVRVMK-NFAWXSAZSA-N 322.409 -0.170 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3ccncn3)[C@@H]2C1 1221879902 YIZYTHUYWBJDRK-TZMCWYRMSA-N 313.361 -0.628 30 20 DBED COCC#CCN1CCC(CNC(=O)CN2CCOCC2)CC1 1222891831 ASZRKQMBYDQFHV-UHFFFAOYSA-N 323.437 -0.203 30 20 DBED N#CCNC(=O)CN1CCC(NC(=O)CCc2ncc[nH]2)CC1 1227099061 BAQLGMLYHPFWDT-UHFFFAOYSA-N 318.381 -0.437 30 20 DBED C[C@H]1C[C@H](C(=O)NC2CCN(CC(=O)NCC#N)CC2)CO1 1228065569 RFUYLIWXXYOFIB-RYUDHWBXSA-N 308.382 -0.368 30 20 DBED COCC#CCN1CCC(NC(=O)C[C@@H]2CC(=O)NC2=O)CC1 1230475317 GEUXTAQINPAVMS-GFCCVEGCSA-N 321.377 -0.730 30 20 DBED C#CCNC(=O)CC(=O)N(C)C[C@H]1CCN1CC(=O)NC(C)C 1233808799 DAIKDBBXKJTFRC-CYBMUJFWSA-N 322.409 -0.817 30 20 DBED C=CCOCCNC(=O)C(=O)N1CCC[C@H]1c1nncn1C 1261670521 PBLROGKKSSGCIS-NSHDSACASA-N 307.354 -0.203 30 20 DBED N#CCOc1ccc(NC(=O)C(=O)N(CCO)CCO)cc1 1320482116 CVACPVVEZSEBKN-UHFFFAOYSA-N 307.306 -0.659 30 20 DBED CCOC(=O)c1cnn(C)c1NC(=O)C(=O)NC[C@@H](C)C#N 1320631137 ZXWBYEXKOFMVLH-QMMMGPOBSA-N 307.310 -0.189 30 20 DBED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)NCCNC(=O)C1CC1 1321925354 XEQFWAMSJCHFDL-CHWSQXEVSA-N 323.393 -0.274 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N1CC(=O)N(CC(F)(F)F)C1 1323587640 MASWDVOCXQPOFG-QMMMGPOBSA-N 323.271 -0.506 30 20 DBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(C)C(=O)[C@H]1C 1324401822 AQMMHAXNNBPHFB-AGIUHOORSA-N 323.393 -0.227 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N2CCN(C3CCC3)CC2)CCO1 1324891105 XCDIDMGQHXITIG-CYBMUJFWSA-N 306.366 -0.566 30 20 DBED CC1(C)C(=O)N[C@H]1C1CCN(C(=O)Cn2cnc(C#N)n2)CC1 1330484551 TVXZLPCJGTUZCD-ZDUSSCGKSA-N 316.365 -0.087 30 20 DBED C#C[C@H]1COCCN1C(=O)C(=O)N1C[C@@H](C(=O)O)[C@H](C2CC2)C1 1333612829 ZHABUAQACKJRCA-RWMBFGLXSA-N 320.345 -0.584 30 20 DBED C=CCN1CC[C@@H](n2cc(CN3CCS(=O)CC3)nn2)C1=O 1336896719 PXYBBZLWSAORSX-CYBMUJFWSA-N 323.422 -0.198 30 20 DBED C[C@H]1C[C@H](NC(=O)C(=O)NC2CCN(CC#N)CC2)CCN1C 1341936643 WADHXMKJAHQYHV-GXTWGEPZSA-N 321.425 -0.311 30 20 DBED C#CCOCCN(C)C(=O)Cn1nc2n(c1=O)CCCCC2 1348351168 VCRIOKAYJUBQAC-UHFFFAOYSA-N 306.366 -0.121 30 20 DBED C[C@]1(C#N)CCCN(C(=O)C(=O)NCCN2CCCC2=O)C1 1349749171 XLCUKIAVJMDBMO-OAHLLOKOSA-N 306.366 -0.123 30 20 DBED C[C@@H]1C[C@@H](N)CN1C(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1351984523 MKQLDCIPGSXGMU-WZRBSPASSA-N 305.382 -0.867 30 20 DBED N#CC[C@H](C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1O)c1ccccc1 1363498740 QNGSEBJHQIGERV-YNEHKIRRSA-N 308.359 -0.042 30 20 DBED CNC(=O)NCC(=O)N[C@H](CNC(=O)[C@@H](C)C#N)C(C)(C)C 1371120916 XOFVSHDMPTUORV-VHSXEESVSA-N 311.386 -0.278 30 20 DBED CCS(=O)(=O)CC(=O)NC[C@@H](C)N(C)C(=O)[C@H](C)C#N 1380767384 MEDLEBSLFNMKOJ-NXEZZACHSA-N 303.384 -0.456 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H](CNC(=O)Cn2ncnn2)C1 1386034876 CBRIJMKBOBXHAO-WDEREUQCSA-N 305.342 -0.812 30 20 DBED Cc1cc(=O)c(C(=O)NC[C@H](O)CNC(=O)[C@@H](C)C#N)c[nH]1 1389127527 MYNVRISVOLKDEK-WCBMZHEXSA-N 306.322 -0.950 30 20 DBED C=C(Cl)CN[C@@H](C)[C@H]1CN(C(=O)CNC(=O)NC)CCO1 1394331951 GDPKJDMHXOAOJK-WDEREUQCSA-N 318.805 -0.127 30 20 DBED COc1cc(C#N)ccc1C(=O)NC[C@]1(O)CCS(=O)(=O)C1 1412139601 RMFFRUCBIAWJST-CQSZACIVSA-N 324.358 -0.154 30 20 DBED Cn1cc(C2=NO[C@H](C(=O)N3CC[C@@](O)(CC#N)C3)C2)cn1 1412276050 NQTBKLNKWYBSBT-JSGCOSHPSA-N 303.322 -0.210 30 20 DBED C[C@@H](C#N)C(=O)NC1CCN(C(=O)[C@@H]2CN(C)CCO2)CC1 1414659345 JJBGDJCHJQZATH-AAEUAGOBSA-N 308.382 -0.416 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CCN(C(=O)C2(NC(N)=O)CC2)C1 1427437088 CECVDWIUAAYRRX-UWVGGRQHSA-N 307.354 -0.594 30 20 DBED C[C@@H](CNC(=O)CS(=O)(=O)C(C)(C)C)NC(=O)[C@@H](C)C#N 1431901495 REYUWWBODXJRDK-UWVGGRQHSA-N 317.411 -0.020 30 20 DBED C[C@H](NC(=O)CCn1cc(C#N)c(O)nc1=O)[C@H]1CCOC1 1433950439 RRJUMDYGJYCMEN-UWVGGRQHSA-N 306.322 -0.248 30 20 DBED N#CC1(CNC(=O)Cn2nc3ccccn3c2=O)CCOCC1 1434414272 XHVRBMSCNBUGJY-UHFFFAOYSA-N 315.333 -0.067 30 20 DBED CCS(=O)(=O)NCC(=O)NC[C@H](C)N(C)C(=O)[C@H](C)C#N 1442774924 AUNBWJTVPYRVIO-ZJUUUORDSA-N 318.399 -0.952 30 20 DBED CCc1cc(CNC(=O)Cn2cc(C#N)c(O)nc2=O)on1 1444557780 CGPUYUXUBBVAEJ-UHFFFAOYSA-N 303.278 -0.313 30 20 DBED C[C@H]1CCCN(C(=O)CN2CC(O)(CNC(=O)[C@@H](C)C#N)C2)C1 1446828237 KIOIFVLBCVGZHZ-STQMWFEESA-N 322.409 -0.433 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@@H]1CCCN(C(=O)c2c[nH]c(=O)cn2)C1 1454954919 QOQPXSATIFUYNF-GHMZBOCLSA-N 317.349 -0.007 30 20 DBED CN(CCN(C)C(=O)[C@@H]1COCCO1)C(=O)c1cc(C#N)c[nH]1 1457727749 JVNGVYCBVGVGLG-ZDUSSCGKSA-N 320.349 -0.168 30 20 DBED Cc1nc(C(=O)N2CCSC[C@@H]2C#N)nn1-c1nc[nH]n1 1466486214 KEGZODHBXXDWQY-QMMMGPOBSA-N 304.339 -0.225 30 20 DBED N#Cc1ccccc1CNC[C@@H](O)CNC(=O)[C@@H]1CCC(=O)N1 1482790277 YQOIBFPEALFOGO-KGLIPLIRSA-N 316.361 -0.596 30 20 DBED CCN(CCNC(=O)[C@H](C)C#N)C(=O)c1c[nH]c(C(N)=O)c1 1496937448 IUSPBKFMPVFGNI-SECBINFHSA-N 305.338 -0.148 30 20 DBED C[C@@H](C#N)C(=O)NC1CN(C(=O)CC[C@]2(C)CCC(=O)N2)C1 1498384216 UAWMMRMIVMBXSA-BONVTDFDSA-N 306.366 -0.078 30 20 DBED CC[C@@H](CNC(=O)CN1CCOCC1=O)NC(=O)[C@@H](C)C#N 1531259570 KVGMPTRNVZQSPB-QWRGUYRKSA-N 310.354 -0.984 30 20 DBED C[C@@H](OCc1cnn[nH]1)C(=O)N1CC[C@H]2CN(CC#N)C[C@H]21 1575834020 HZWBLLDONMQPRC-NTZNESFSSA-N 304.354 -0.234 30 20 DBED C#CCOCCN(C)CCCc1[nH]nc(N)c1-c1nn[nH]n1 1588362548 KGEBUZYIPJPYAI-UHFFFAOYSA-N 304.358 -0.314 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N(C)[C@H]1C[C@@H](C(=O)O)C1 1588390224 OLBMDJGBVJZKJU-SDDRHHMPSA-N 310.350 -0.147 30 20 DBED C#CCN(CC(=O)O)C(=O)C(=O)Nc1ccc2nc(C)nn2c1 1588396301 XZFIVNXGJCNYKB-UHFFFAOYSA-N 315.289 -0.477 30 20 DBED C#Cc1ccc(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)O)cc1 1588433978 XSGOHAGLPFUANP-GFCCVEGCSA-N 307.327 -0.008 30 20 DBED CN(C)CC#CCNC(=O)Nc1ccc(-c2nn[nH]n2)cn1 1591012610 YNXHFERIFAGLDP-UHFFFAOYSA-N 300.326 -0.052 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 1591468834 BDCNXJNYMUJJBI-GHMZBOCLSA-N 316.325 -0.853 30 20 DBED N#CCCN1CCN(c2nnc(CO)n2C[C@H]2CCOC2)CC1 1650486767 IATMOSHDFNTNJU-CYBMUJFWSA-N 320.397 -0.157 30 20 DBED C=CCOCCNC[C@H]1CCCN1C(=O)[C@H]1CN(C)C(=O)N1 1671332504 AKERERAIGGQMTM-CHWSQXEVSA-N 310.398 -0.207 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@H](NC(=O)c2cc(C)ncn2)C1 1752626733 WKODGYHYJAZJCI-HAQNSBGRSA-N 301.350 -0.615 30 20 DBED CC(C)(C)C#CC(=O)N[C@H]1C[C@H](NCCN2C(=O)CNC2=O)C1 1752628676 KFVZGLCKGLORDR-HAQNSBGRSA-N 320.393 -0.176 30 20 DBED N#CCNC(=O)CNC[C@H]1CCCN(C(=O)C2=CCOCC2)C1 1752796796 TZNHKTXJBHZSFJ-CYBMUJFWSA-N 320.393 -0.199 30 20 DBED C=CCN1CC[C@@H](N[C@@H](C)CNC(=O)c2cnn(CC)n2)C1=O 1752870810 OHKDFRGURRZCAH-NWDGAFQWSA-N 320.397 -0.207 30 20 DBED C=C(C)CCNC[C@H](C)NC(=O)CN1C(=O)C(=O)N(C)C1=O 1754285889 PXBFTCZEAKOKSQ-JTQLQIEISA-N 310.354 -0.533 30 20 DBED C#CCNC[C@H](NC(=O)CCC(=O)N1CCOCC1)C1CC1 1754458521 DANDGWUAJDKRTA-AWEZNQCLSA-N 307.394 -0.257 30 20 DBED C#CCNC(=O)CNC1C[C@@H]2CCC[C@H](C1)N2C(=O)COC 1754538827 ORIKSTPOTBTCPC-AGUYFDCRSA-N 307.394 -0.116 30 20 DBED COCC#CCN1CC(O)(CNC(=O)C(C)(C)CCOC)C1 1754777150 LUDIEKLAJPBDSJ-UHFFFAOYSA-N 312.410 -0.138 30 20 DBED C[C@H](NCC(=O)NCC#N)[C@@H]1CCN(C(=O)CN2CCCC2)C1 1754808284 ZXLISYUZZICPCX-UONOGXRCSA-N 321.425 -0.451 30 20 DBED N#CCNC1CCN(CCNC(=O)[C@@H]2CCCN2C(N)=O)CC1 1754851619 QEGFRPYOPLLMFI-ZDUSSCGKSA-N 322.413 -0.777 30 20 DBED CCn1nccc1C(=O)N(C)CCCN(C)CC(=O)NCC#N 1755036616 VIPLLVKSEQLFTA-UHFFFAOYSA-N 320.397 -0.063 30 20 DBED C=CCn1cc(C(=O)N(C)CCCN(C)[C@@H]2CCNC2=O)nn1 1755046045 RTLQWCFJGWXSFD-CYBMUJFWSA-N 320.397 -0.254 30 20 DBED C#CCNC(=O)CN[C@@]1(CO)CCCN(C(=O)C2(C)CCC2)C1 1755086829 OKTXSOTYPYKBGF-KRWDZBQOSA-N 321.421 -0.131 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](CNC(=O)c3ncn(C)n3)[C@H]2C1 1755420695 NNSUGXNQHCIEPO-CNDDSTCGSA-N 318.381 -0.975 30 20 DBED C#CCNC(=O)CN[C@@H](CO)CNC(=O)c1ccc(CC)s1 1755641735 JKFWFPFFVPLMTN-LLVKDONJSA-N 323.418 -0.260 30 20 DBED C#CCCN1CCC([C@H](C)NC(=O)CS(=O)(=O)NC)CC1 1755850651 KYRRYDSLFWKACQ-LBPRGKRZSA-N 315.439 -0.224 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@H](C)N(C)C(=O)CN(C)C(C)=O 1756019474 AFFULHVILCZFBR-ABAIWWIYSA-N 313.398 -0.245 30 20 DBED C#CCOCCC(=O)N(C)[C@H](C)CNC(=O)[C@@H]1CCNC1=O 1756054033 GUJONOMRFNBXQD-VXGBXAGGSA-N 309.366 -0.875 30 20 DBED C#CCOCCC(=O)N[C@@H](C)CN(C)C(=O)[C@H](C)NC(C)=O 1756429602 RULSRWXJDVVUHD-RYUDHWBXSA-N 311.382 -0.486 30 20 DBED CN(C)CCN(CC(=O)O)S(=O)(=O)N1CCC(C#N)CC1 1777031899 SVOJNQIOKOWWNX-UHFFFAOYSA-N 318.399 -0.585 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1snnc1C)C2 1800452236 SYSAPYHPSBJTQH-PEGIJTEDSA-N 320.374 -0.317 30 20 DBED CS(=O)(=O)NCC/N=C(/N)N[C@H]1CCOc2ccccc21 83030819 PAIVKMHBVLIGSR-NSHDSACASA-N 312.395 -0.036 30 20 DBED C#CCNC(=O)CN1CCCN(S(=O)(=O)CCC)CC1 123550998 YFGARWJIROVTLA-UHFFFAOYSA-N 301.412 -0.517 30 20 DBED N#Cc1cc(C(=O)N2CCN(CC(=O)NC3CC3)CC2)c[nH]1 181159291 PNMRKAILVBPPOR-UHFFFAOYSA-N 301.350 -0.077 30 20 DBED N#Cc1cccc(S(=O)(=O)NCCCN2CCNC(=O)C2)c1 271148388 JQOAPIFQDFQRRJ-UHFFFAOYSA-N 322.390 -0.342 30 20 DBED CCNC(=O)N1CCN(S(=O)(=O)c2cccnc2C#N)CC1 276936151 AHKCERNUCZUTEG-UHFFFAOYSA-N 323.378 -0.011 30 20 DBED Cn1c(N2CCN(c3ncc[nH]3)CC2)c(C#N)c(=O)n(C)c1=O 278720929 OYYXFPKXLITIMA-UHFFFAOYSA-N 315.337 -0.995 30 20 DBED C[C@@]1(NS(=O)(=O)c2cncc(C#N)c2)CCS(=O)(=O)C1 289673627 HGBIJGHDFLQHNT-LLVKDONJSA-N 315.376 -0.191 30 20 DBED C[C@](CO)(CNS(=O)(=O)c1cncc(C#N)c1)CC(=O)O 290465236 DVQMFLVINOFSJB-GFCCVEGCSA-N 313.335 -0.295 30 20 DBED C#CCOc1ccccc1NC(=O)C(=O)N1CC(=O)N[C@H](C)C1 296108389 HZIXLIMUXIUQAP-LLVKDONJSA-N 315.329 -0.016 30 20 DBED C[C@@H]1OCC[C@@]1(C)/N=C(/O)Nc1ncn(CC(=O)N(C)C)n1 329578721 TYAMOXRCWYICDB-TVQRCGJNSA-N 310.358 0.260 30 20 DBED CN(CC(=O)N1CCOCC1)/C(O)=N/[C@H]1CCn2ccnc2C1 330285997 ZLTLZMZAXKARMJ-LBPRGKRZSA-N 321.381 -0.098 30 20 DBED CNS(=O)(=O)c1cccc(C(=O)N2CCOC[C@@H]2C#N)c1 330929292 NCCOXMMROGQSOT-NSHDSACASA-N 309.347 -0.041 30 20 DBED CC(C)N1CC[C@H](N(C)c2c(C#N)c(=O)n(C)c(=O)n2C)C1 333684484 LRZVBUCNHPSIQT-NSHDSACASA-N 305.382 -0.125 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@@H](C(=O)OC)C(C)C 336890045 IUMQXHMUUZFIOX-LLVKDONJSA-N 321.399 -0.120 30 20 DBED COCCN(CCC#N)S(=O)(=O)N(C)C[C@H](C)C(=O)OC 336916397 MLGVLTNTDAUFKR-NSHDSACASA-N 321.399 -0.166 30 20 DBED CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)N(C)C[C@H](C)C#N 336916616 NIJAEPLNAYTCOR-GHMZBOCLSA-N 323.440 -0.168 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2noc(C)c2C)C1=O 340414854 FWKIMDDXMLJFLC-NSHDSACASA-N 320.349 0.475 30 20 DBED N#CCNC(=O)CNS(=O)(=O)CCOCC(F)(F)F 349874101 OOYHGSWGRXVTPZ-UHFFFAOYSA-N 303.262 -0.876 30 20 DBED C=C(C)COCCNC(=O)C1CCN(S(=O)(=O)NC)CC1 354059390 RPPVAOCHQBDGGH-UHFFFAOYSA-N 319.427 -0.129 30 20 DBED C[C@@H](CN(C)C(=O)CNc1ccc(C#N)cn1)c1nn[nH]n1 357984141 FISUKBSAOKAWNY-VIFPVBQESA-N 300.326 0.140 30 20 DBED CS(=O)(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@@H](N)CCCC#N 424186448 HLFBYXSTIZKIDI-QJPTWQEYSA-N 316.427 -0.016 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2cnn(C)c2C)C1=O 440270148 VMPMERZQUNCTHD-GFCCVEGCSA-N 319.365 -0.088 30 20 DBED C#C[C@@H](C)N(C)S(=O)(=O)CCCS(=O)(=O)N[C@@H](C)C#N 491542834 CMIAFWPAUGJVAE-WDEREUQCSA-N 321.424 -0.509 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)CN2[C@@H](C)CC[C@@H]2C)CC1 491727665 GOOAYYTURXRKQK-GJZGRUSLSA-N 320.437 -0.247 30 20 DBED N#C[C@]1(NC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)CCOC1 548139244 SIHUNZVKUQAYEL-UEKVPHQBSA-N 305.334 -0.040 30 20 DBED CC[C@](C)(C#N)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 586752572 UQWGCSJKKMEQSA-CYBMUJFWSA-N 316.427 -0.380 30 20 DBED N#Cc1cncc(S(=O)(=O)N2CC(N3CC[C@@H](O)C3)C2)c1 593652343 CZZRPFMTHYNCGP-GFCCVEGCSA-N 308.363 -0.607 30 20 DBED COC(=O)[C@](C)(CO)NCC(=O)NCc1ccc(C#N)cc1 595527111 NJVVAULLPXDONS-HNNXBMFYSA-N 305.334 -0.312 30 20 DBED COC(=O)c1ccc(N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c(C#N)n1 596013269 HLWWSOAFZQSARS-UWVGGRQHSA-N 315.333 -0.512 30 20 DBED COC(=O)CN(CC#N)C(=O)CCn1cnc2c(N)ncnc21 597277034 VPGMTLZRJHADNN-UHFFFAOYSA-N 317.309 -0.676 30 20 DBED C=CCOC[C@@H](NC(=O)c1nc2ncc(C)cn2n1)C(=O)OC 597606726 LSURERYTNBNRFP-SNVBAGLBSA-N 319.321 -0.093 30 20 DBED N#CCN1CCN(S(=O)(=O)CCCN2CCCC2)CC1 601332182 FQQGFYFNTIZKKK-UHFFFAOYSA-N 300.428 -0.057 30 20 DBED CC#CC[C@@H](CO)NS(=O)(=O)c1ccc(-n2cnnn2)cc1 645883092 LGRZYYKHAQKYBD-NSHDSACASA-N 321.362 -0.285 30 20 DBED Cn1c(N)c(C(=O)CN2CCC[C@@H](CC#N)C2)c(=O)n(C)c1=O 661150860 UVDMGCHUQCBRAI-JTQLQIEISA-N 319.365 -0.525 30 20 DBED C=CCOCCNC(=O)N1CCC[C@@H](N2CCNCC2=O)C1 669555130 AKKVEUOCHVSLEC-CYBMUJFWSA-N 310.398 -0.205 30 20 DBED C=CCN(C)C(=O)C(=O)N[C@H]1CCN(C2CCN(C)CC2)C1 672640435 IUARVGOGRDGGLK-ZDUSSCGKSA-N 308.426 -0.085 30 20 DBED CC(C)(CNS(C)(=O)=O)NC(=O)[C@H](N)CCCCC#N 708274742 OFYLIVAEFDKAIX-SNVBAGLBSA-N 304.416 -0.158 30 20 DBED C[C@@H]1CN(CCNC(=O)NC2CCN(CC#N)CC2)CCO1 730670598 BFEUKPWBPYHCJJ-CYBMUJFWSA-N 309.414 -0.006 30 20 DBED CN1C(=O)CN(CN2CCN(c3cc(C#N)ccn3)CC2)C1=O 776200234 LNOFTBFGUOASEH-UHFFFAOYSA-N 314.349 -0.073 30 20 DBED C#CCCN1CCN([C@@H](C)C(=O)N2CCC[C@H](C(N)=O)C2)CC1 776593261 DUYRQLWQMCEFRF-GJZGRUSLSA-N 320.437 -0.260 30 20 DBED N#CCCNC(=O)COC(=O)c1ccccc1-n1cnnn1 777131943 UFLJJPHWJHEIEA-UHFFFAOYSA-N 300.278 -0.151 30 20 DBED CO[C@@H](C(=O)NS(=O)(=O)CC1(C#N)CC1)c1cnn(C)c1 793194316 ICHZLZDMPGQUAF-SNVBAGLBSA-N 312.351 -0.143 30 20 DBED C#Cc1cccc(CNC(=O)C(=O)N(C[C@@H](C)O)[C@@H](C)CO)c1 817846107 MYQMPRYSPIGPEP-QWHCGFSZSA-N 318.373 -0.126 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[C@@H]3C[C@H]3C2)c1=O 853581748 YKCFSPKODMVAGH-OLZOCXBDSA-N 318.377 -0.157 30 20 DBED C#CCN1CCC[C@H](NC(=O)CCC(=O)N2CCC(O)CC2)C1 923566272 JUJLVALDXWBGJK-AWEZNQCLSA-N 321.421 -0.036 30 20 DBED CN1CCO[C@H](C(=O)N[C@H]2CCN(C(=O)C#CC3CC3)C2)C1 937778559 HNBXTKRYTPOGGV-KBPBESRZSA-N 305.378 -0.553 30 20 DBED C#Cc1ccccc1CC(=O)N[C@H]1CCN(C(=O)CC(N)=O)C1 938386497 ZCSSKEYDPCJKNW-AWEZNQCLSA-N 313.357 -0.197 30 20 DBED N#CCN1CCC2(CC1)CN(C(=O)CCn1cncn1)CCO2 949024977 ZWPABIOESSEOJA-UHFFFAOYSA-N 318.381 -0.115 30 20 DBED C[C@@H](C#N)C(=O)N1CC(N(C)C(=O)CN2CCCCC2=O)C1 954731051 LOHLREZTQRYQDF-NSHDSACASA-N 306.366 -0.172 30 20 DBED CN1CC[C@H](C(=O)N[C@@]2(C)CCN(C(=O)C#CC3CC3)C2)C1=O 957352539 CKMOQXCUMFOIQR-DYVFJYSZSA-N 317.389 -0.015 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cnc3[nH]c(C)nc3c2)C1 958122133 QMNDHRBDIQXZCD-GXTWGEPZSA-N 313.361 -0.078 30 20 DBED N#Cc1ccccc1CN1C[C@@H]2C(NC(=O)Cn3cnnn3)[C@H]2C1 958180779 CUSAWGWNORDHQN-KBPBESRZSA-N 323.360 -0.209 30 20 DBED CC#CCN1C[C@H](CNC(=O)c2cnn(CCF)c2)[C@@H](O)C1 958199466 IVXLCMCMENBBQT-JSGCOSHPSA-N 308.357 -0.102 30 20 DBED COCc1nc(C(=O)NC[C@@H]2CN(CC#N)C[C@@H]2O)cs1 958744852 WIMSGYGEGIVWNF-KOLCDFICSA-N 310.379 -0.164 30 20 DBED Cc1cc(CC(=O)N(C)[C@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)n[nH]1 958814070 WFZLBOYJVGGPCR-ICCXJUOJSA-N 319.365 -0.550 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2nccs2)C1 958936819 XEMKKLNZHGFQCT-GUBZILKMSA-N 308.363 -0.054 30 20 DBED C[C@H]1CN(C(=O)CC(N)=O)C[C@@H]1CNC(=O)c1ccc(C#N)[nH]1 959413199 WMTYEKVETDFVBY-UWVGGRQHSA-N 317.349 -0.414 30 20 DBED CN(C)CCn1ccc(C(=O)N[C@H]2[C@@H]3CN(CC#N)C[C@@H]32)n1 959957839 UZXGNVAHIIQXQB-IMRBUKKESA-N 302.382 -0.372 30 20 DBED C=C(C)CCN1C[C@H]2C(NC(=O)Cn3c(O)nnc3O)[C@@H]2C1 962395256 ABZLPCHRFULGIK-NXEZZACHSA-N 307.354 -0.298 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CN(C(=O)CC3(O)CCC3)CCO2)C1 965372597 STKXVEZERWBRMX-GFCCVEGCSA-N 321.377 -0.109 30 20 DBED O=C(N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O)c1ncccn1 970023294 HNZVGMMJPDYGTB-NEPJUHHUSA-N 300.318 -0.809 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)[C@@H]3COCCN3CC)C2)C1 972440420 FRTHHNQTHWQZIV-DOTOQJQBSA-N 321.421 -0.356 30 20 DBED CC#CCN1CCO[C@]2(CCN(C(=O)[C@]3(C)CNC(=O)C3)C2)C1 972480810 SVCVFHJEJFKHBP-DLBZAZTESA-N 319.405 -0.161 30 20 DBED C=CCCN1CCO[C@@]2(CCN(C(=O)c3nnn(C)n3)C2)C1 972512187 RDYHPKWUTHHYJB-AWEZNQCLSA-N 306.370 -0.297 30 20 DBED CC#CCN1C[C@H]2[C@H](CNC(=O)c3ccc(=O)n(C)n3)[C@H]2C1 979041395 AOUKIGIJPSBMDN-XYYAHUGASA-N 300.362 -0.289 30 20 DBED C[C@H](NCc1cnn(C)n1)[C@H]1CN(C(=O)C#CC2CC2)CCO1 979330739 KBQLLOMWTKPWSC-SWLSCSKDSA-N 317.393 -0.066 30 20 DBED C=CCN1C[C@H]2C[C@@H](NC(=O)Cn3ncn(C)c3=O)CC[C@H]2C1 980087073 QXTGNFNXMWNILR-MJBXVCDLSA-N 319.409 -0.016 30 20 DBED C=CCN1CCCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)CC1 982071826 KNCQPEUZZDMVKO-UHFFFAOYSA-N 308.338 -0.873 30 20 DBED C=C1CC(C)(C(=O)N2CC[C@@H](CNC(=O)[C@@H]3CNC(=O)N3)C2)C1 983260194 IUWGFNRXYDLOMG-RYUDHWBXSA-N 320.393 -0.011 30 20 DBED Cc1nc(O)nc(O)c1CC(=O)N1CC[C@@H](NCC#N)[C@@H]1C 987236991 MKFUSEQJVBZGML-GXSJLCMTSA-N 305.338 -0.159 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H]1CCCCN1C(=O)C(N)=O 990582521 IYWNHIMYWXJVJT-XQQFMLRXSA-N 323.393 -0.098 30 20 DBED O=C1CC[C@@H](CC(=O)NC2CN(C(=O)C#CC3CC3)C2)CN1 993379150 FKTIIJCLRNMUGC-LBPRGKRZSA-N 303.362 -0.357 30 20 DBED C=CCn1cccc1C(=O)NC1CN(C(=O)[C@@H]2CCNC2=O)C1 994205363 LVQHPKPFGUMIDU-GFCCVEGCSA-N 316.361 -0.249 30 20 DBED CN1C(=O)CC[C@H]1C(=O)NC1CN(C(=O)c2cc(C#N)c[nH]2)C1 997864250 ZVNAPSLURGCSNB-LBPRGKRZSA-N 315.333 -0.552 30 20 DBED CN(C(=O)c1ccc(-n2cnnn2)cn1)C1CC(NCC#N)C1 999167516 FZCQKTFEDMCZLX-UHFFFAOYSA-N 312.337 -0.227 30 20 DBED Cn1nncc1C(=O)NCc1cn([C@@H]2CCN(CC#N)C2)nn1 999991342 NENAHMJMSGLCDC-LLVKDONJSA-N 315.341 -0.893 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2C(CNC(=O)c3cnnn3C)[C@@H]2C1 1009002279 MSCCJMOFAZSTMV-MIMYLULJSA-N 302.338 -0.591 30 20 DBED Cc1nn[nH]c1C(=O)NCC1[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]12 1009335602 OENWMOZHKVTVNQ-SWPVVBRQSA-N 302.338 -0.293 30 20 DBED NC(=O)CC(=O)N1CCCC2(CN(C(=O)C#CC3CC3)C2)C1 1010651317 LAFXVLSDBDQFTD-UHFFFAOYSA-N 303.362 -0.274 30 20 DBED C[C@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)CC(N)=O 1011590083 CBPAFRAJKYGLLI-WPRPVWTQSA-N 303.322 -0.519 30 20 DBED C=CCN1CCN(C(=O)[C@@H]2CCCN(C(=O)C(N)=O)C2)CC1 1018370831 BYNUUAMVWBGNAG-GFCCVEGCSA-N 308.382 -0.960 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCN(C(=O)[C@@H]3COC(=O)N3)C2)C1 1019363592 XHHCMGPXKAJZMX-UWVGGRQHSA-N 306.322 -0.685 30 20 DBED C=C[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)C(N)=O)C1)c1ccccc1 1025388279 YAIJNJGYPJIJEB-YNEHKIRRSA-N 317.345 -0.871 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)c3cnn(C)n3)C[C@H]2O)C1 1025524355 NYTLHYYEMSKZJN-VXGBXAGGSA-N 319.365 -0.527 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ncc[nH]2)C[C@H]1O 1025709688 VSLZBQNNNVVFDG-KKOKHZNYSA-N 320.349 -0.698 30 20 DBED N#CCN1CCC[C@H]1CNC(=O)[C@H]1CCc2nnc(O)n2C1 1027978541 OGUWENPXVGPWRC-QWRGUYRKSA-N 304.354 -0.350 30 20 DBED C=CCN1CC[C@@H](N2CCC[C@H]2CNC(=O)c2cnn[nH]2)C1=O 1027991431 CLBSRJCLVOCIPT-WCQYABFASA-N 318.381 -0.214 30 20 DBED C=C(C)CCN1CCC[C@H]1CNC(=O)c1cn(CC(N)=O)nn1 1028335198 PMSACFVJRDADML-LBPRGKRZSA-N 320.397 -0.076 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)Cc3ccon3)C2)C1=O 1030167397 SMNKZMHLOIJZAH-CYBMUJFWSA-N 304.350 -0.196 30 20 DBED Cn1cnc2cc(C(=O)NC[C@H]3CN(CC#N)CCO3)cnc21 1035468268 XRJLWYFEKSGZPK-LBPRGKRZSA-N 314.349 -0.078 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2CN(C[C@@H](C)OC)CCO2)nn1 1035535241 HEIQIQOTIVSQPG-OLZOCXBDSA-N 323.397 -0.070 30 20 DBED CC#CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)CN1CCCS1(=O)=O 1037425245 JTFAXVHCDGGDFH-DYEKYZERSA-N 311.407 -0.766 30 20 DBED C#CCN[C@H]1CCN(C(=O)Cn2nc(C)n(C)c2=O)C[C@H]1CC 1037963988 RVIBQUZYBMDXST-KGLIPLIRSA-N 319.409 -0.260 30 20 DBED C=CCN1CC[C@H](N2CC[C@@H]2CNC(=O)c2cnn(C)n2)C1=O 1038804664 NQPCAMNBTKFIIP-YPMHNXCESA-N 318.381 -0.594 30 20 DBED C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1cnc(C(N)=O)n1 1039377181 JPNHZKVZPQFOCV-NEPJUHHUSA-N 318.381 -0.372 30 20 DBED C=CCCC(=O)N1CC[C@@](O)(CNC(=O)CCCC(N)=O)C1 1040212171 NDUWDOQQXJDXLW-OAHLLOKOSA-N 311.382 -0.312 30 20 DBED C=CCO[C@H](C)C(=O)N1CC[C@@](O)(CNC(=O)c2nc[nH]n2)C1 1040550339 JXFOJGMJXBFRJA-QMTHXVAHSA-N 323.353 -0.911 30 20 DBED C#CCCCC(=O)N1CC[C@@](O)(CNC(=O)C2(C(N)=O)CC2)C1 1040743672 VEMABOZNPGCQNG-OAHLLOKOSA-N 321.377 -0.865 30 20 DBED N#CCSCC(=O)NCC1(O)CN(C(=O)[C@@H]2CC2(F)F)C1 1041569575 YRODEGVFUDMWLN-QMMMGPOBSA-N 319.333 -0.412 30 20 DBED C=CCN1CC[C@]2(CCN(C(=O)Cn3c(O)nnc3O)C2)C1 1041804664 BCPAKBMKMARUBF-AWEZNQCLSA-N 307.354 -0.200 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)c2ncccc2O)C1 1042803154 SVEXCPUNKPHZSV-UHFFFAOYSA-N 317.345 -0.106 30 20 DBED N#Cc1cccnc1N1C[C@H](O)[C@H](NC(=O)c2ncccn2)C1 1044130246 ZPCCFKYENSTZOZ-NEPJUHHUSA-N 310.317 -0.277 30 20 DBED C=C(C)C[C@H](C)C(=O)N1CC(O)(CNC(=O)c2nnn(C)n2)C1 1044938758 IKXZTWWNYRAGDL-JTQLQIEISA-N 322.369 -0.885 30 20 DBED C[C@@H](C(=O)N1CCN([C@H]2CCN(CC#N)C2)CC1)n1cncn1 1046022310 PAKYITAWAPGIJG-KBPBESRZSA-N 317.397 -0.419 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@]2(C)CCNC(=O)C2)C1 1047428146 AKBYRMGMNWWHGC-XEZPLFJOSA-N 307.394 -0.571 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CN(C)C(=O)N2)C1 1047486642 LXWUMTIICRZCID-VWYCJHECSA-N 316.789 -0.734 30 20 DBED C=CCCC(=O)N(C)[C@H]1CN(C(=O)Cc2nonc2C)C[C@@H]1O 1048527598 JZHHHSORPBOXJJ-STQMWFEESA-N 322.365 -0.083 30 20 DBED C=CCOCC(=O)N(C)[C@H]1CN(C(=O)c2ccon2)C[C@@H]1O 1048555421 XCINSHKNIIYXHT-RYUDHWBXSA-N 309.322 -0.479 30 20 DBED C=C(C)CCN1C[C@H]2CN(C(=O)CN3C(=O)CNC3=O)C[C@H]2C1 1049205727 DRGIHVKYFPWIKM-BETUJISGSA-N 320.393 -0.105 30 20 DBED C#CCCCC(=O)N[C@@H](C)[C@@H]1CCN(C(=O)Cn2cnnn2)C1 1049969350 RIUQCDYJUQXIML-QWHCGFSZSA-N 318.381 -0.170 30 20 DBED C[C@H](NC(=O)C(N)=O)[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 1050491993 PWIIKRLCKTVVLJ-DTWKUNHWSA-N 303.322 -0.662 30 20 DBED C#CCOCCC(=O)N1CC[C@@H]([C@@H](C)NC(=O)CNC(C)=O)C1 1050728941 NXTSNUZNUFLJLV-TZMCWYRMSA-N 323.393 -0.484 30 20 DBED C=C(C)CN1CCN([C@H]2CCN(C(=O)[C@H]3COC(=O)N3)C2)CC1 1052018024 AFDHQUDAJCWVOU-UONOGXRCSA-N 322.409 -0.111 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)Cc3cnn(C)c3)CO2)C1 1053753516 RXPNNXVFWCAAQR-CQSZACIVSA-N 302.378 -0.055 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)c3ccnc4ccnn34)CO2)C1 1053827828 IXIAFUJYWKGBFA-LBPRGKRZSA-N 311.345 -0.064 30 20 DBED CN1C(=O)CC[C@H]1CC(=O)N[C@H]1COC2(C1)CN(CC#N)C2 1053889352 IBUOTICWHXLPQW-NEPJUHHUSA-N 306.366 -0.520 30 20 DBED CC[C@@H]1CCCN1C(=O)C(=O)N[C@@H]1COC2(C1)CN(CC#N)C2 1053974042 FURCECXIYNGRTD-QWHCGFSZSA-N 320.393 -0.130 30 20 DBED Cc1ccc(=O)n(CC(=O)N[C@@H]2COC3(C2)CN(CC#N)C3)n1 1053987186 JNYODYAOBNUHNH-LBPRGKRZSA-N 317.349 -0.965 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)c3cc(C(N)=O)ccn3)CO2)C1 1054027688 SDTZZYSRSBYXOQ-GFCCVEGCSA-N 314.345 -0.613 30 20 DBED N#CCN1CC[C@]2(CCCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C2)C1 1054206621 KJPOUKWGSOJACT-XHDPSFHLSA-N 319.365 -0.577 30 20 DBED CCNC(=O)CC(=O)N1C[C@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2C1 1055294857 WKADYAQPWJHPBQ-SDDRHHMPSA-N 306.366 -0.411 30 20 DBED C=C[C@@H](CC)CC(=O)NCCN1CCC(NC(=O)C(N)=O)CC1 1055620941 ZIDYIBGHRUXDDM-LBPRGKRZSA-N 324.425 -0.229 30 20 DBED Cc1c(C(=O)N2CCN(c3nccnc3C#N)CC2)nnn1C 1055758481 AWUSFMUJLKGKFW-UHFFFAOYSA-N 312.337 -0.252 30 20 DBED N#Cc1cncc(N2C[C@@H]3C(NC(=O)[C@H]4CCC(=O)N4)[C@H]3C2)n1 1056146654 JDQCZOQAOLHVMM-GARJFASQSA-N 312.333 -0.822 30 20 DBED CCOCC(=O)NCCN(CCO)C(=O)CSCC#N 1057026522 BRHJXJSMINSPET-UHFFFAOYSA-N 303.384 -0.783 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)[C@@H]1C[C@@H]1C(=O)OC 1057170880 FLPZESHNWUADMQ-NEPJUHHUSA-N 312.366 -0.301 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)c1ccnnc1C 1057193430 GVMJRUKPNCCIKT-UHFFFAOYSA-N 322.365 -0.462 30 20 DBED CC(C)OCC(=O)NCCN(CCO)C(=O)c1ccc(C#N)[nH]1 1057367422 ZAHOUNYQBSBYKN-UHFFFAOYSA-N 322.365 -0.138 30 20 DBED O=C(NCCN(CCO)C(=O)C#CC1CC1)c1ccc(O)nc1 1057534964 HFAHOZLYCHNMHD-UHFFFAOYSA-N 317.345 -0.249 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)CO[C@@H]1CCOC1 1057591090 DUZYCYONWNQENC-CYBMUJFWSA-N 314.382 -0.305 30 20 DBED N#Cc1nccnc1N[C@@H]1CCCN(C(=O)[C@H]2COC(=O)N2)C1 1057631302 NOZYNLKFNZJSFW-MWLCHTKSSA-N 316.321 -0.140 30 20 DBED C=CCCOCC(=O)N(CCO)CCNC(=O)CC(C)(C)O 1057919381 YOSIPZYCEGAKRE-UHFFFAOYSA-N 316.398 -0.323 30 20 DBED C[C@@H](C(=O)N[C@H]1CCN(c2cnc(C#N)cn2)C1)n1cncn1 1058324766 SRVJLTNLKXGMDR-QWRGUYRKSA-N 312.337 -0.104 30 20 DBED Cc1c(C(=O)N[C@@H]2CCN(c3cncc(C#N)n3)C2)nnn1C 1058334118 FSJXJEGNEZLKDW-SNVBAGLBSA-N 312.337 -0.206 30 20 DBED C=CC(C)(C)CC(=O)NCCN(CCO)C(=O)c1nc[nH]n1 1058378924 SNUQRZMBGMWOHW-UHFFFAOYSA-N 309.370 -0.042 30 20 DBED N#Cc1nc(=N[C@H]2CCN(C(=O)CN3CCCC3=O)C2)cc[nH]1 1058836601 DLLIMGJVUZEMNY-NSHDSACASA-N 314.349 -0.595 30 20 DBED N#Cc1nc(=N[C@H]2C[C@H](NC(=O)C[C@H]3CCC(=O)N3)C2)cc[nH]1 1059256226 YEMRUUHYSITZOD-GMTAPVOTSA-N 314.349 -0.502 30 20 DBED Cn1nncc1C(=O)NC[C@@H]1CCCN1c1ccnc(C#N)n1 1061353565 LNNRQNVRDVLUKJ-JTQLQIEISA-N 312.337 -0.124 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)CN1CCCC1=O 1061845105 CMXFXXDYGKQQHP-NEPJUHHUSA-N 322.365 -0.888 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)CN(C)C1CCC1 1061852492 IXFKOKWMJOCNFO-GXTWGEPZSA-N 322.409 -0.026 30 20 DBED CC(C)C#CC(=O)N1CCOC[C@H]1CNC(=O)Cc1cnc[nH]1 1061931353 HBXDYYIITYVPBY-CQSZACIVSA-N 318.377 -0.045 30 20 DBED C#CCNC(=O)CC(=O)N1CCCC[C@@H]1CNC(=O)[C@H](C)OC 1062140308 LGQYEMXXTYFBCX-QWHCGFSZSA-N 323.393 -0.342 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CCCCN1C(=O)c1nnn(C)n1 1062309158 ZZRAFGJHNNXXLV-NXEZZACHSA-N 305.342 -0.519 30 20 DBED C=C[C@](C)(O)CC(=O)NC1(CNC(=O)c2nc[nH]n2)CCC1 1064000088 SFPNRTLUSFTBMJ-ZDUSSCGKSA-N 307.354 -0.100 30 20 DBED N#Cc1nccnc1N1C[C@H]2C[C@H]1[C@@H]2NC(=O)Cn1ccnc1 1064270400 LQCYZVXWIJPFBK-SCDSUCTJSA-N 309.333 -0.062 30 20 DBED C=CCCC(=O)N1CCO[C@H](CNC(=O)[C@H](COC)OC)C1 1064957732 PBMBTMBHTMMCAK-OLZOCXBDSA-N 314.382 -0.042 30 20 DBED C=CCOCC(=O)N[C@H]1CCCN(C(=O)Cn2cncn2)CC1 1065987505 POMUTLUHVLSWFY-ZDUSSCGKSA-N 321.381 -0.022 30 20 DBED C#CCCCC(=O)N(C)CCCN(C)C(=O)c1nnn(C)n1 1067289522 UBEFBTMFBQBJKP-UHFFFAOYSA-N 306.370 -0.066 30 20 DBED N#Cc1cncc(NCC2CC(NC(=O)[C@@H]3CCC(=O)N3)C2)n1 1067858688 ODGDONXOWABXSE-CBINBANVSA-N 314.349 -0.066 30 20 DBED N#Cc1nccnc1N1C[C@H]2CC[C@H]1CN2C(=O)c1cnn[nH]1 1068071752 FEOQPIGLBZEVAK-VHSXEESVSA-N 310.321 -0.040 30 20 DBED C#CCN[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1n1ccnn1 1070207707 KGRGLDYQHHAXFI-KGLIPLIRSA-N 316.409 -0.263 30 20 DBED C=CCn1cc(C(=O)N2C[C@H](n3ccnn3)[C@H](NCC)C2)nn1 1070291003 UVXSESZVRZMEBO-YPMHNXCESA-N 316.369 -0.269 30 20 DBED Cn1cnc([C@@H]2CN(C(=O)[C@H]3CCC(=O)N3)C[C@H]2NCC#N)c1 1070475413 ROKIJNSHVPHYPS-DMDPSCGWSA-N 316.365 -0.894 30 20 DBED C=CCOCC(=O)N1CCC[C@@H](NC(=O)C[C@H]2CCC(=O)N2)C1 1070554255 NDGIDEPXTZLHFQ-CHWSQXEVSA-N 323.393 -0.035 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)c4cncn4C)C[C@@]3(C1)O2 1070821993 PFYCJBWPOBIFKQ-WOSRLPQWSA-N 300.362 -0.031 30 20 DBED CN1C(=O)CC[C@@H]1C(=O)N1C[C@H]2C[C@@H]3CN(CC#N)C[C@]2(C1)O3 1070841776 SMUHRSPQHOBUNG-BRXULGCHSA-N 318.377 -0.568 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)[C@H](C)n2cccn2)CC1 1070943660 YRDVGTUNDPPYJV-AWEZNQCLSA-N 317.393 -0.272 30 20 DBED C=CCOCC(=O)N1C[C@H](C)[C@H](NC(=O)CNC(=O)OC)C1 1071807898 CAASZQJNUYPWSR-WDEREUQCSA-N 313.354 -0.492 30 20 DBED C#CCOCCC(=O)N1C[C@H](C)[C@H](NC(=O)Cn2cccn2)C1 1072096953 GLCPGTOZQAYPOJ-UONOGXRCSA-N 318.377 -0.114 30 20 DBED C#CCOCCC(=O)N1C[C@H](C)[C@@H](NC(=O)CN(C)C(C)=O)C1 1072098337 YGNKKCBOIVGNRN-JSGCOSHPSA-N 323.393 -0.532 30 20 DBED C=CCCOCC(=O)N1C[C@@H](C)[C@@H](NC(=O)Cn2cncn2)C1 1072337446 SLCKSRHGLQQTGE-OLZOCXBDSA-N 321.381 -0.166 30 20 DBED C=CCCC(=O)N[C@@H]1CCN(C(=O)Cn2ncnn2)C[C@H]1C 1073808773 LDJWDFPGGQOJNS-VXGBXAGGSA-N 306.370 -0.008 30 20 DBED N#CCN1CCCO[C@H](CNC(=O)[C@@H]2CCCN2C(N)=O)C1 1073911356 OIVGYCNORUFGKP-NEPJUHHUSA-N 309.370 -0.740 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)c2cc(C(N)=O)ccn2)C1 1073914740 BFYWTWSWESYYDB-ZDUSSCGKSA-N 316.361 -0.366 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)c3nnn(C)c3C)C[C@@H]21 1074197553 XOUMISAWEUFONZ-QWHCGFSZSA-N 303.366 -0.328 30 20 DBED C#CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)Cn2nccn2)C1 1079776649 KYZROMCNJFCETG-GFCCVEGCSA-N 319.365 -0.624 30 20 DBED C[C@H](C#N)C(=O)NC1(CO)CCN(C(=O)c2cnccn2)CC1 1080982173 VHJZUIITPRKCAO-LLVKDONJSA-N 317.349 -0.280 30 20 DBED C=CCCOCC(=O)NC[C@@H]1CN(C(=O)CCOC)C[C@H]1O 1081569145 KXWSDOAUVNRLFX-CHWSQXEVSA-N 314.382 -0.449 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2(C(N)=O)CC2)C1 1081714167 UIYOSJYVUNTAHQ-WDEREUQCSA-N 309.366 -0.846 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)[C@H](OC)C1 1082131385 AYPKWBQSZZGJAL-YIYPIFLZSA-N 323.393 -0.929 30 20 DBED C=C(C)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)CN1C(=O)CCC1=O 1083269776 WKGCPOAGZYBPKD-QWHCGFSZSA-N 321.377 -0.377 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2ccc(Cn3ccnn3)o2)C1 1083662134 ZBOHWYWLCGZWLX-NEPJUHHUSA-N 316.321 -0.782 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)c2cc(C(N)=O)co2)C1 1083767514 HRQMEQFWBQIYMU-ZJUUUORDSA-N 313.741 -0.094 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)[C@H]3CC(=O)N(CCOC)C3)[C@@H]2C1 1084385362 DMONSJAVSVYZLA-QLFBSQMISA-N 319.405 -0.353 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)[C@H]3CCc4nnnn4CC3)[C@@H]2C1 1084674618 NHSCEIOOFRYRIM-BFHYXJOUSA-N 314.393 -0.209 30 20 DBED C#CCN1CC[C@H]1CN(C)C(=O)[C@@H]1Cc2cncn2C(=O)N1 1085737393 MIJQJPFUCFUXQV-AAEUAGOBSA-N 301.350 -0.469 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)[C@H]1CC 1087748044 LLPJLCFBPBFVME-QWHCGFSZSA-N 318.377 -0.700 30 20 DBED Cn1nnc(C(=O)N2C[C@H]3CC[C@H]2[C@@H]2CN(CC#N)C[C@H]32)n1 1089846284 MHWWQTGBNCGFJO-KKOKHZNYSA-N 301.354 -0.484 30 20 DBED N#Cc1nccc(N2CC=C(CCNC(=O)C(N)=O)CC2)n1 1089862219 QJBBSLBHYHOGAC-UHFFFAOYSA-N 300.322 -0.524 30 20 DBED C#CCCN1CC[C@@H](NC(=O)Cc2cn(C)nc2C)[C@H](O)C1 1090332381 XCNVITJEOPVEGV-HUUCEWRRSA-N 304.394 -0.154 30 20 DBED C#CCN1CC[C@@H](NC(=O)Cc2ccc(OC)cn2)[C@@H](O)C1 1090510084 KAOPCVXXAIPORE-CABCVRRESA-N 303.362 -0.183 30 20 DBED C#CCN1CCC(C(=O)N[C@H]2CCN(CC#CC)C[C@H]2O)CC1 1090830015 HSMYYVQIDHXPRF-DLBZAZTESA-N 317.433 -0.094 30 20 DBED CO[C@H](C)C(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1OC 1090865417 VFUNGYFNQNFSKV-YUSALJHKSA-N 305.338 -0.297 30 20 DBED C[C@@H]1[C@@H](NC(=O)CNC(N)=O)CCN1c1ccc(C#N)cn1 1091924824 NOXRTNBMPQFVLV-KOLCDFICSA-N 302.338 -0.295 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)Cc3cnc(C)o3)CC2=O)C1 1094746614 XBURZAXQKFEFNZ-GFCCVEGCSA-N 316.361 -0.440 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)Cc3ccco3)CC2=O)C1 1094799978 VFVOZDKSDBOGEJ-GFCCVEGCSA-N 301.346 -0.143 30 20 DBED CN(CCCNC(=O)CCn1cnnn1)c1ccc(C#N)cn1 1095619217 OHSHEDDONXBETC-UHFFFAOYSA-N 314.353 -0.027 30 20 DBED N#Cc1nccc(N2CCC[C@H](NC(=O)CNC(N)=O)C2)n1 1096135806 ALFFXUOUOJVBTM-VIFPVBQESA-N 303.326 -0.898 30 20 DBED CC(=O)N[C@H](C)C(=O)N[C@H]1C[C@@H](Nc2cnc(C#N)cn2)C1 1097145214 ZGFGYTOIJWEWGS-IEBDPFPHSA-N 302.338 -0.068 30 20 DBED C=CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cn1ccc(O)nc1=O 1097458938 NAEBIKNLRONRDO-UTUOFQBUSA-N 304.350 -0.144 30 20 DBED C=CCCn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(N)=O)nn1 1098005289 QCBVXXNHQPCAAT-WZRBSPASSA-N 318.381 -0.325 30 20 DBED CNC(=O)NCC(=O)NC[C@H](C)N=c1cc(C)[nH]cc1C#N 1098338615 GABXXWCWOKTIOO-JTQLQIEISA-N 304.354 -0.471 30 20 DBED CC#CCN(CCO)C1CCN(C(=O)[C@@H]2CCCNC2=O)CC1 1098399169 AYMZNAUFEILXLG-OAHLLOKOSA-N 321.421 -0.179 30 20 DBED C=CCN(CCO)C1CCN(C(=O)CS(=O)(=O)NC)CC1 1098564171 PMWMRCXUHSWVCQ-UHFFFAOYSA-N 319.427 -0.993 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)c2ccccn2)[C@H](O)C1 1099618665 XNXMKWCZLHJJJV-GXTWGEPZSA-N 318.377 -0.451 30 20 DBED CCCCCC(=O)N[C@H]1CCN(CC(=O)NCC#N)C[C@H]1O 1099675628 OZLZFHRLXCYXNI-QWHCGFSZSA-N 310.398 -0.242 30 20 DBED Cn1nccc1CN1CC[C@H](NC(=O)CSCC#N)[C@@H](O)C1 1099689372 FWXXSYANOCMRGF-STQMWFEESA-N 323.422 -0.272 30 20 DBED CC(C)C#CC(=O)N[C@H]1CCN(CC(=O)NCC(C)C)C[C@@H]1O 1099821751 XROBFGTULXWMHO-GJZGRUSLSA-N 323.437 -0.031 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)COC[C@H]1CCOC1 1101777067 NRMAJEKRWMRSKX-LBPRGKRZSA-N 319.365 -0.306 30 20 DBED N#Cc1c[nH]ccc1=NCC1(NC(=O)CNC(N)=O)CCCC1 1103393069 HQLUWHJRWXLGOK-UHFFFAOYSA-N 316.365 -0.116 30 20 DBED C[C@@H](CNc1ccc(C#N)cn1)N(C)C(=O)[C@H]1CNC(=O)N1 1104785164 ODHJACZGAMXQTE-GXSJLCMTSA-N 302.338 -0.107 30 20 DBED C[C@@H](CC(=O)N(C)CCN(C)c1ccnc(C#N)n1)NC(N)=O 1105473245 VBSAHZSCOFDTGU-JTQLQIEISA-N 319.369 -0.310 30 20 DBED Cc1ncc(C(=O)NC[C@H](O)CN=c2cc[nH]cc2C#N)[nH]1 1105750079 HBFWSSUPZNBHOB-LLVKDONJSA-N 300.322 -0.391 30 20 DBED Cc1nc(C(=O)NC[C@H](O)CNc2cncc(C#N)n2)co1 1105798550 GERPKZKXYNHHSB-SNVBAGLBSA-N 302.294 -0.153 30 20 DBED C[C@H](NC(N)=O)C(=O)NC[C@@H](O)CNc1cccc(F)c1C#N 1105809614 FRYTYMUBXWFWNQ-IUCAKERBSA-N 323.328 -0.357 30 20 DBED Cc1nc[nH]c1CC(=O)NC[C@H](O)CNc1cncc(C#N)n1 1105921045 WHYSQDMTOQWMAN-LLVKDONJSA-N 315.337 -0.489 30 20 DBED C[C@@H](CCN=c1cc[nH]cc1C#N)NC(=O)[C@@H]1CCC(=O)N1 1106393181 IHPKTMKGMXRXPL-GWCFXTLKSA-N 301.350 -0.040 30 20 DBED CC(=O)N(C)CC(=O)NC/C=C/CNc1ccc(C#N)nn1 1107039626 QIAYIDFJMLWYPC-ONEGZZNKSA-N 302.338 -0.089 30 20 DBED CN1CC[C@H](C(=O)NC/C=C/CNc2cncc(C#N)n2)C1=O 1107459874 JIGVXCCKKVJYKC-QAVQXKDTSA-N 314.349 -0.089 30 20 DBED C[C@@]1(C(=O)NC/C=C\CN=c2cc[nH]cc2C#N)CCNC1=O 1107508840 QKYVUDTUERVAAR-YPQKKHBXSA-N 313.361 -0.014 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)[C@H]1CCC(=O)N1C 1108060704 MHAVGNGSHSWIAV-NXEZZACHSA-N 302.338 -0.692 30 20 DBED C[C@@]1(CNC(=O)c2cnco2)CN(CC(=O)NCC#N)CCO1 1108105236 YAYLAVYCNUENKS-CQSZACIVSA-N 321.337 -0.865 30 20 DBED CC#CCN1CCO[C@](C)(CNC(=O)c2c[nH]c(C(N)=O)c2)C1 1108402124 YWAPJEAPGMBIAD-MRXNPFEDSA-N 318.377 -0.042 30 20 DBED C[C@@H](CNc1ccc(C#N)nn1)NC(=O)C(=O)NCC1CC1 1108488646 YOIFSNIXEOPNOS-VIFPVBQESA-N 302.338 -0.209 30 20 DBED C[C@@H](CN(C)c1ccc(C#N)cn1)NC(=O)C1CS(=O)(=O)C1 1109116587 JRZDNQIEKKZJRI-JTQLQIEISA-N 322.390 -0.061 30 20 DBED C[C@@H](CN(C)c1cncc(C#N)n1)NC(=O)[C@@]1(C)CNC(=O)C1 1109157179 YDMSUCHOGPYYMP-ZUZCIYMTSA-N 316.365 -0.185 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H]1CCC(=O)N1C 1109608365 OCMUCLZOSGLPBW-QPSCCSFWSA-N 319.405 -0.022 30 20 DBED C[C@]1(C(=O)NCC2(Nc3ccc(C#N)nn3)CC2)CNC(=O)C1 1110287681 LPKWLJMQSDVUDV-CQSZACIVSA-N 314.349 -0.065 30 20 DBED N#Cc1ccc(N2CC[C@@](O)(CNC(=O)c3cnon3)C2)nn1 1111091008 HSRZUIIFHFETER-CYBMUJFWSA-N 315.293 -0.898 30 20 DBED COCCCC(=O)N(C)[C@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1111171938 AWOPTDUWCUHLBA-RYUDHWBXSA-N 319.365 -0.217 30 20 DBED COC[C@@H](C)C(=O)N(CCO)CCNc1nccnc1C#N 1111438416 WWGUNSROLWGUHS-LLVKDONJSA-N 307.354 -0.136 30 20 DBED C=CCNC(=O)CN1C[C@@H]2CCC[C@]2(NC(=O)CNC(C)=O)C1 1111566852 DHCCCFBOQMXACZ-BBRMVZONSA-N 322.409 -0.605 30 20 DBED CN(CCCN(C)c1cncc(C#N)n1)C(=O)[C@H]1C[C@H]1C(N)=O 1112176805 ZMELEUUKWBAOTI-NEPJUHHUSA-N 316.365 -0.246 30 20 DBED CC(=O)NCCOCCN1CCN(C(=O)C#CC2CC2)CC1 1112825100 UWIASQCJCYTYQB-UHFFFAOYSA-N 307.394 -0.303 30 20 DBED C#CCOCCC(=O)N1CCN([C@H](C)C(=O)NCC=C)CC1 1112845031 QYHDDSAARHMTIZ-CQSZACIVSA-N 307.394 -0.139 30 20 DBED C[C@H](N=c1cc[nH]cc1C#N)[C@@H](C)NC(=O)C1CS(=O)(=O)C1 1113183888 TVEGYWGAQJBGGC-VHSXEESVSA-N 322.390 -0.275 30 20 DBED Cc1nc(CC(=O)NC[C@@H](C)N(C)c2cnc(C#N)cn2)n[nH]1 1113585817 OMJSOWRAYUOEKO-SECBINFHSA-N 314.353 -0.042 30 20 DBED CC#CCN1CCN(C(=O)CCNC(=O)[C@H]2CCCO2)CC1 1113734667 VGSJOWUECWVKPK-CQSZACIVSA-N 307.394 -0.161 30 20 DBED C=CCNC(=O)NC(=O)CN1C[C@H]2C(NC(=O)C(F)F)[C@@H]2C1 1113752809 ORHIXOVIUPKUCX-HTQZYQBOSA-N 316.308 -0.690 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3cnn(C)c3C)[C@H]2C1 1113857294 KJUMXLNCXGHDPH-STQMWFEESA-N 315.377 -0.862 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)CCOCC)[C@H]2C1 1114044885 OWDMBACTBRRBMU-AVGNSLFASA-N 307.394 -0.403 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)CC[C@@H]3CCOC3)[C@H]2C1 1114134703 OPWQRIOEOGJPJX-WVZRYYJFSA-N 319.405 -0.401 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@@H]2CN(CCOCCCC)C[C@@H]12 1114170594 SXDLHFGHNBORCX-ZIAGYGMSSA-N 321.421 -0.011 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1[C@@H]2CN(CCOCC3CC3)C[C@@H]21 1114170790 XKFZCFRHPKEQPV-HALDLXJZSA-N 319.405 -0.401 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)Cn3nccn3)[C@H]2C1 1114336396 OGZUDYDNUHWJOL-NMKXLXIOSA-N 318.381 -0.985 30 20 DBED CC1(C)CN(c2cncc(C#N)n2)C[C@@H]1NC(=O)CC(N)=O 1114427272 BXPNDNAIUBAHKM-JTQLQIEISA-N 302.338 -0.445 30 20 DBED C#CCCN1C[C@H]2C(NC(=O)CS(=O)(=O)CCOC)[C@@H]2C1 1114481646 ZKVGDLKPGGGGIY-VXGBXAGGSA-N 314.407 -0.883 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)[C@H]3CCC(=O)NC3)[C@@H]2C1 1114501765 HUZMJNLPIJGXSR-YNEHKIRRSA-N 305.378 -0.791 30 20 DBED O=C(C#CC1CC1)NCC1[C@@H]2CN(c3nccn4nnnc34)C[C@@H]12 1114544698 SKRMJCHNZYSWPG-STQMWFEESA-N 323.360 -0.269 30 20 DBED N#Cc1cnc(NC[C@H]2C[C@H](NC(=O)CNC(N)=O)C2)cn1 1114735744 DMWXXUBYAMMYOT-KYZUINATSA-N 303.326 -0.677 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)c3cnon3)[C@H]2C1 1114994293 KPBIQWTZIRWPPZ-UXCLJVHYSA-N 305.338 -0.580 30 20 DBED C=CCCOCC(=O)NC1[C@H]2CN(Cc3nncn3C)C[C@H]12 1115323943 HWCRNZBUXDAYNP-RYUDHWBXSA-N 305.382 -0.046 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)c2ccc[n+]([O-])c2)CC1 1116054283 MWDDMVVGGHRQCC-UHFFFAOYSA-N 316.361 -0.783 30 20 DBED C#CCCCCNC(=O)C(=O)Nc1ccn(CC(=O)N(C)C)n1 1116257894 KAXKLVPDMBADDY-UHFFFAOYSA-N 319.365 -0.171 30 20 DBED N#CCOc1ccc(NC(=O)C(=O)NC[C@@]2(O)CCOC2)cc1 1116375352 GOADZFRUMQNHJQ-HNNXBMFYSA-N 319.317 -0.205 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 1117529381 VSXFPFKUURBJEQ-AGIUHOORSA-N 311.382 -0.717 30 20 DBED N#Cc1ccc(NC(=O)C(=O)N2CCS(=O)(=O)CC2)nc1 1117708806 NAXLRBYIVCNOJW-UHFFFAOYSA-N 308.319 -0.851 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)NCCCOC(F)F)C1 1118163437 YZPXDCFOUOXVMV-LBPRGKRZSA-N 305.281 -0.391 30 20 DBED N#CCNC1(CNC(=O)[C@@H]2CCS(=O)(=O)N2)CCCCC1 1120152620 ATGFHBSUCSGYPH-NSHDSACASA-N 314.411 -0.390 30 20 DBED COCCOCC(=O)NC[C@H](CO)Nc1nc(C)ccc1C#N 1121213156 NCGGZKOMBBAECI-CYBMUJFWSA-N 322.365 -0.186 30 20 DBED C[C@H](C(=O)NC[C@@H](CO)Nc1ncccc1C#N)n1cncn1 1121345895 HPGNUNHAVAIZRB-PWSUYJOCSA-N 315.337 -0.305 30 20 DBED C=CCCOCC(=O)NC[C@H](CO)Nc1ncnc2[nH]cnc12 1121749634 RDELUDHFQHTJPW-SNVBAGLBSA-N 320.353 -0.165 30 20 DBED C#Cc1ccc(C(=O)NC[C@H](CO)Nc2cnc(C#N)cn2)nc1 1121847570 PSDLVOVJVQNLLZ-CYBMUJFWSA-N 322.328 -0.073 30 20 DBED C#CCOCCC(=O)NC[C@@H](CO)Nc1ncnc2c1CCC2 1122027682 JBNCNZCNEHFWDJ-LBPRGKRZSA-N 318.377 -0.106 30 20 DBED CN(C[C@H](O)CNc1nccnc1C#N)C(=O)Cc1ccon1 1124201184 UJEXWUCTHBMSQJ-LLVKDONJSA-N 316.321 -0.190 30 20 DBED CN(C[C@@H](O)CNc1nccnc1C#N)C(=O)c1n[nH]cc1F 1124715082 VHXIPJJVIYUHBU-QMMMGPOBSA-N 319.300 -0.245 30 20 DBED CN(C[C@@H](O)CN(C)c1ccc(C#N)nn1)C(=O)[C@@H]1CCOC1 1124994038 GCTSWAUMRSIFIG-YPMHNXCESA-N 319.365 -0.360 30 20 DBED COCCN(CCNC(=O)CNC(C)=O)c1ccnc(C#N)n1 1126181301 YQFFKTYWMIGOEV-UHFFFAOYSA-N 320.353 -0.947 30 20 DBED COC[C@H](C)C(=O)N(C)CCOCCN=c1cc[nH]c(C#N)n1 1127217907 QZKKYJWESKVDSM-LBPRGKRZSA-N 321.381 -0.060 30 20 DBED N#CCNCc1nnc2n1CC[C@H](NC(=O)[C@@H]1CCOC1)CC2 1127958523 FPCGFIKVFOLFLN-VXGBXAGGSA-N 318.381 -0.251 30 20 DBED CC(C)Cn1ccc(C(=O)NCCNCC(=O)NCC#N)n1 1128436628 IUQKZBPNJIIRCR-UHFFFAOYSA-N 306.370 -0.502 30 20 DBED N#CCNC(=O)CNCCNC(=O)Cc1cnn2c1CCCC2 1129897918 SHFMMEFFBFVNPK-UHFFFAOYSA-N 318.381 -0.893 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)c1cnn2c1OCCC2 1130837745 DVLRODAQBBCUEM-NSHDSACASA-N 321.381 -0.324 30 20 DBED CCOCC1(C(=O)N2CCC(=O)NCCN(CC#N)CC2)CC1 1131367450 SQZVNKUHPUYDNG-UHFFFAOYSA-N 322.409 -0.023 30 20 DBED CC#CCN1C[C@H](NC(=O)CCn2ncn(C)c2=O)CC[C@H]1C 1132199042 FCTQAARSDRHILX-ZIAGYGMSSA-N 319.409 -0.036 30 20 DBED CC(C)C#CC(=O)N1CC[C@@H](C)[C@@H](CNCC(=O)NC(N)=O)C1 1132809238 NEGIUQPVJTUHMD-OLZOCXBDSA-N 322.409 -0.085 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCCNCc1nnnn1C1CC1 1134061968 LRULCTOLUMRBJB-NEPJUHHUSA-N 306.370 -0.195 30 20 DBED C=CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)C(=O)NCC1CC1 1135785174 RUEAQRFLYLJLRL-RYUDHWBXSA-N 324.425 -0.312 30 20 DBED C=CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)CCCC(N)=O 1146798374 QTJUSFWWLKAVAG-RYUDHWBXSA-N 312.414 -0.183 30 20 DBED CNC(=O)NC(C)(C)C(=O)NC[C@@H]1CN(CC#N)CCCO1 1150777505 FWAPJVOFYBOXOR-LLVKDONJSA-N 311.386 -0.575 30 20 DBED C=CCNC(=O)NC(=O)CNCCCNC(=O)C1=CCOCC1 1156960797 PGLKABIHKCCXEU-UHFFFAOYSA-N 324.381 -0.559 30 20 DBED N#CCNC(=O)CN1CC=C(CCNC(=O)c2cn[nH]c2)CC1 1159374750 KDOIPFKXVDKDCM-UHFFFAOYSA-N 316.365 -0.199 30 20 DBED N#CCNC(=O)CNCC1(CCNC(=O)[C@H]2CCOC2)CC1 1163708086 WQXJJLLFQOTIBU-LBPRGKRZSA-N 308.382 -0.461 30 20 DBED C#CCNC(=O)CNCC1(CCNC(=O)c2[nH]cnc2C)CC1 1168565414 OFXACIJNDOXFSV-UHFFFAOYSA-N 317.393 -0.043 30 20 DBED COCC#CCNCCCC[C@@H](C)NC(=O)CCn1cnnn1 1175862261 AZBSNXWLSJHHIO-CQSZACIVSA-N 322.413 -0.022 30 20 DBED C#CCNC(=O)CNCCCC[C@@H](C)NC(=O)Cn1ccnc1 1176824306 CUCGLBYSWPZHCO-CQSZACIVSA-N 319.409 -0.103 30 20 DBED CN1CC(=O)N(CC(=O)NCCCCCCNCC#N)C1=O 1180224125 RLPIEYJJVVMLEF-UHFFFAOYSA-N 309.370 -0.330 30 20 DBED Cc1ccncc1C(=O)N1CC[C@@H](NCC(=O)NCC#N)C1 1181812491 UQHNLUUCJXVNCZ-GFCCVEGCSA-N 301.350 -0.166 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2cncn2C)C1 1184000285 KQXCPMIMPIDFEP-NWDGAFQWSA-N 305.382 -0.085 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)[C@@H]3CCOC3)[C@@H]2C1 1187100326 BZOGCYPLCGZSSF-BFHYXJOUSA-N 305.378 -0.695 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)CCc2nc[nH]n2)C1 1189575541 VYOGOHBWMJFUMC-LBPRGKRZSA-N 318.381 -0.981 30 20 DBED Cc1ncc(CC(=O)N2CC[C@H](N(C)CC(=O)NCC#N)C2)o1 1190634626 JHFWZJQVIWGMJM-LBPRGKRZSA-N 319.365 -0.302 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)[C@@H]2CCCCN2C)C1 1190948020 SGPLPZLRMQTOHB-CABCVRRESA-N 320.437 -0.247 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1 1191999389 USFQKDYAGMMCFO-LLVKDONJSA-N 319.365 -0.782 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(CC(=O)NCCC)C[C@H]1O 1192531628 YVQDNRKELRAMRQ-JMSVASOKSA-N 313.398 -0.999 30 20 DBED CC#CCN(C)[C@H]1CCN(C(=O)[C@@H]2CCN(C)S2(=O)=O)C1 1192795429 YRZWEERBXUVNTB-STQMWFEESA-N 313.423 -0.424 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)C2CCC2)C1 1194024230 ZATJZTLYSNQNHE-IACUBPJLSA-N 309.410 -0.114 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)C(C)(C)C2CC2)C1 1195524297 FMORDEWDDLHGCC-IACUBPJLSA-N 321.421 -0.278 30 20 DBED CCn1cc(C(=O)N2CCCN(CC(=O)NCC#N)CC2)nn1 1197628838 DUMGHFDCDCPFGR-UHFFFAOYSA-N 319.369 -0.914 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2cc(C)n(C)n2)C[C@H]1O 1199313599 LMHFNRFNHVHFDY-BPLDGKMQSA-N 322.409 -0.019 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)c2ccon2)CCCO1 1199967734 PKLLKKBUUFXNHD-GFCCVEGCSA-N 320.349 -0.755 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC(NCCN2CCNC2=O)CC1 1200531446 CSBUTIJCEHFBQG-CYBMUJFWSA-N 322.409 -0.370 30 20 DBED CCCN1C[C@@H](C(=O)N2CCCO[C@@H](CNCC#N)C2)CC1=O 1201524942 NQLKNOTVKQGEBU-KBPBESRZSA-N 322.409 -0.024 30 20 DBED C#CCNC1CCN(C(=O)CCCN2C(=O)CNC2=O)CC1 1203648465 JORZURMLMDRIBK-UHFFFAOYSA-N 306.366 -0.468 30 20 DBED C=CCCNC1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)CC1 1203725780 PJFFRMNLDVLNED-LBPRGKRZSA-N 301.412 -0.165 30 20 DBED CCO[C@@H]1C[C@@H]1C(=O)N1CCC(CNCC(=O)NCC#N)CC1 1204615166 XNTQWROKMRLLTH-UONOGXRCSA-N 322.409 -0.121 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)[C@@H]2CCCCO2)[C@H](C)C1 1206874233 JWRWIGRYWBRVQZ-MCIONIFRSA-N 307.394 -0.259 30 20 DBED N#CCNC(=O)CN[C@H]1CCCN(C(=O)c2cncs2)C1 1207545589 BNFNQKQSDKLXLK-JTQLQIEISA-N 307.379 -0.023 30 20 DBED C=CCOCC(=O)N[C@@H]1CN([C@@H](C)c2nnnn2C)C[C@H]1OC 1212032021 GAULBPGVCCLZKA-QJPTWQEYSA-N 324.385 -0.711 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN([C@H]2CCCNC2=O)C[C@H]1OC 1212262825 ZUEMXCMNROBEPD-HZSPNIEDSA-N 323.393 -0.880 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)c2ccccn2)C[C@H]1C 1214042994 GECZFKUPGSZQDX-TZMCWYRMSA-N 300.362 -0.119 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CNC(=O)CC)C[C@H]1C 1214355872 JNUSQBXIGBSVBR-JHJVBQTASA-N 322.409 -0.913 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CCCCNC(N)=O 1218259547 CCHDJQKKGMFCRW-UONOGXRCSA-N 322.409 -0.240 30 20 DBED COCC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CN(C)C(C)C 1219054419 BFEKQVTYPJHYEB-JKSUJKDBSA-N 323.437 -0.112 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@H](C)CCCC)C1 1219562933 WAMAKJSBHOZDJE-MCIONIFRSA-N 309.410 -0.277 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)COCc2ccnc(O)c2)C1 1219876190 YVVUEILTEFTNKZ-KGLIPLIRSA-N 319.361 -0.512 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)CCOC[C@H]2CCCO2)C1 1219932820 YSCQPFNTWGGJPX-KFWWJZLASA-N 310.394 -0.243 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)CCn2ccnc2)C1 1220105983 VLDBMLJRNMVYHE-KGLIPLIRSA-N 308.382 -0.363 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)COC[C@@H](C)N2CCCC2)C1 1220377634 HOGPETXYZUOGNV-KFWWJZLASA-N 309.410 -0.718 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)CC(CC)CC)C1 1220624923 STXGPNYWYKJXQE-KGLIPLIRSA-N 309.410 -0.277 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)CCn2cnccc2=O)C1 1220653669 RGRMZECCUWBUJY-OLZOCXBDSA-N 306.366 -0.629 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)c2oncc2C)C1 1220672760 FDBBHSOFSWTFJU-UTUOFQBUSA-N 322.365 -0.551 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2ccc(C)cc2)C1 1220836885 JLGBLHIXORVQIR-CABCVRRESA-N 315.373 -0.481 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)C(C)(C)CS(C)(=O)=O)C1 1221132139 UKQXAWJBHRZFOM-NEPJUHHUSA-N 318.439 -0.205 30 20 DBED N#CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3cnns3)[C@@H]2C1 1221306987 BAAOMLDLPQFYAS-NXEZZACHSA-N 320.378 -0.676 30 20 DBED C=CCN1CC[C@H](N2CCC(CNC(=O)C(N)=O)CC2)C1=O 1224294002 LPSJHMDMLNVXGT-LBPRGKRZSA-N 308.382 -0.913 30 20 DBED C#CCOCCC(=O)NC1CCN([C@@H](C)c2nnnn2C)CC1 1227322932 IEPJAJZNGZAGRO-LBPRGKRZSA-N 320.397 -0.108 30 20 DBED N#CCN1CCS(=O)(=O)[C@@H](CCNC(=O)c2cn[nH]c2)C1 1230425767 SFQBGPYHOKIDFS-NSHDSACASA-N 311.367 -0.848 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@@H]1CN(C)C(=O)c1cnnn1C 1233990171 HFRRENITENMZDS-VXGBXAGGSA-N 318.381 -0.901 30 20 DBED CN(C[C@@H]1CCN1CC#N)C(=O)CNC(=O)c1ccncc1 1234445100 JPDMCFUREQHKLG-ZDUSSCGKSA-N 301.350 -0.132 30 20 DBED C=CCN(CCOC)C(=O)C(=O)NCc1nnnn1C1CC1 1261121585 LOHJQAXBUYIRFQ-UHFFFAOYSA-N 308.342 -0.715 30 20 DBED C=CC1CCN(C(=O)C(=O)N[C@@H]2CCC(=O)N(C)C2=O)CC1 1261450354 YRVPVUQFIQVAOR-LLVKDONJSA-N 307.350 -0.325 30 20 DBED C[C@H]1CO[C@H](C)CN1C(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1261850123 ZVIVOQNWRANRIM-OUCADQQQSA-N 320.393 -0.179 30 20 DBED CCOC(=O)C[C@@H](C)NC(=O)C(=O)Nc1cnn(CC#N)c1 1320723679 SXRFJVCGBJNXPZ-SECBINFHSA-N 307.310 -0.197 30 20 DBED C#CCC[C@@H](O)CNC(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1 1321649339 YZNACNICLAHHBD-MFKMUULPSA-N 323.374 -0.393 30 20 DBED C#CCSCCNC(=O)C(=O)N1CC[C@H](OCCOC)C1 1323044499 CQPWYKGCSJWMCK-LBPRGKRZSA-N 314.407 -0.267 30 20 DBED COC(=O)[C@H]1C[C@H](O)CN(C(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)C1 1326168513 LPFDLTRPRROLRJ-YFKTTZPYSA-N 323.349 -0.823 30 20 DBED C[C@@H]1C[C@H](CO)CN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)C1 1326229542 LHQCAMBQXWMOAB-XUJVJEKNSA-N 309.366 -0.660 30 20 DBED CN(C[C@H]1CCCN1C)C(=O)C(=O)N1CC[C@](O)(CC#N)C1 1327038652 JEWQVAVMRQLGRS-IUODEOHRSA-N 308.382 -0.584 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N1CC[C@H](C(=O)OC)[C@H](C)C1 1328449235 CWBXOCSIORIFGP-WOPDTQHZSA-N 312.366 -0.039 30 20 DBED C#C[C@H](NC(=O)C(=O)N(C)Cc1cn(C)nn1)[C@@H]1CCCO1 1329031998 WBTSLEUJCGRDSO-RYUDHWBXSA-N 305.338 -0.930 30 20 DBED C#CC1CCN(C(=O)C(=O)N2CCN(C(C)C)C(=O)C2)CC1 1329453328 ONXQCSRFCAOLCO-UHFFFAOYSA-N 305.378 -0.063 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCNCC2)CCN1C1CC1 1333978431 GAOVZBBQVNJHAK-TZMCWYRMSA-N 319.409 -0.557 30 20 DBED CC(=O)N1CCCN(C(=O)C(=O)N2CCC[C@@H](C#N)C2)CC1 1336421409 JRIHIIDQRLWTHY-ZDUSSCGKSA-N 306.366 -0.171 30 20 DBED C=CCS(=O)(=O)CCNC(=O)NC[C@@H](O)C1CCOCC1 1337596600 XTKULOXXTONBJO-GFCCVEGCSA-N 320.411 -0.326 30 20 DBED C=CCOCc1nnc(N2CCO[C@@H](C(=O)NC)C2)n1CC 1339594038 XLJNGLKGCVJPHV-LLVKDONJSA-N 309.370 -0.048 30 20 DBED C[C@H](O)c1cn(CC(=O)NCC2CCN(CC#N)CC2)nn1 1340465472 OBNZDXBCNXJIMX-NSHDSACASA-N 306.370 -0.317 30 20 DBED C#CCSCCNC(=O)C(=O)N1CC[C@H](S(C)(=O)=O)C1 1342541560 SVKBHDKRDVRPIT-JTQLQIEISA-N 318.420 -0.886 30 20 DBED COC(=O)[C@H]1C[C@H](NC(=O)C(=O)NC2CCN(CC#N)CC2)C1 1347732845 ODGXCRYDFUNCCH-UMSPYCQHSA-N 322.365 -0.842 30 20 DBED C=CCn1c([C@@H]2CNC(=O)C2)nnc1N1CCO[C@@H](COC)C1 1355379848 PVDIXULXVKWFMA-NWDGAFQWSA-N 321.381 -0.081 30 20 DBED COc1ncc(NC(=O)CCn2ncn(C)c2=O)cc1C#N 1361955116 GDMSJNFASNBIQT-UHFFFAOYSA-N 302.294 -0.114 30 20 DBED N#Cc1ncn(CCNC(=O)NCCS(=O)(=O)C2CC2)n1 1365587178 WANMKJYKNDSPDP-UHFFFAOYSA-N 312.355 -0.974 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)CCCn2cccn2)C1 1371455563 SPASISYLSJPIIY-JHJVBQTASA-N 319.365 -0.489 30 20 DBED CCN(CCNC(=O)c1cnn[nH]1)C(=O)c1cc(C#N)c[nH]1 1373867796 IQMPNQABQYNEPC-UHFFFAOYSA-N 301.310 -0.103 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CCN(C(=O)c2ccc(=O)n(C)c2)C1 1407557797 PZBUMEDWMFCLKM-PWSUYJOCSA-N 302.334 -0.124 30 20 DBED CC(C)(C)[C@H](CO)NC(=O)CCn1cc(C#N)c(O)nc1=O 1412069496 ARUGRYXHZHCNIT-JTQLQIEISA-N 308.338 -0.266 30 20 DBED COC(=O)C1(C#N)CCN(Cc2cn(CC(N)=O)nn2)CC1 1413209947 PGFGXXSMQIGIPO-UHFFFAOYSA-N 306.326 -0.958 30 20 DBED COc1nccc(C(=O)N(C)C[C@@H](O)CNC(=O)[C@@H](C)C#N)n1 1413299809 KDZSTCUGKUOAMQ-UWVGGRQHSA-N 321.337 -0.806 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@@H]1CCCN(C(=O)Cn2ncnn2)C1 1415345257 BYNJNMNNWPPBII-GHMZBOCLSA-N 305.342 -0.718 30 20 DBED C[C@H](C#N)C(=O)NC1CN(C(=O)CNC(=O)c2cccs2)C1 1416046423 KGVGWJILISYABP-SECBINFHSA-N 320.374 -0.035 30 20 DBED C[C@H](C#N)C(=O)NCC1CN(C(=O)[C@H]2CCS(=O)(=O)C2)C1 1416119024 HYTXWGPMPSWBBV-KOLCDFICSA-N 313.379 -0.845 30 20 DBED CC[C@H]1COCCN1CCNC(=O)NCCn1cnc(C#N)n1 1427468799 DLDGNTLDBKZUBL-LBPRGKRZSA-N 321.385 -0.440 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1C[C@@H](NC(=O)c2nccnc2N)C1 1429113319 ONBVZCQMWKIHQH-BBBLOLIVSA-N 302.338 -0.157 30 20 DBED CC(C)C[C@H](CNC(=O)[C@H](C)C#N)NC(=O)CCn1cnnn1 1431114111 KBKHNOHWWVPGMI-VXGBXAGGSA-N 321.385 -0.130 30 20 DBED C[C@H](C#N)C(=O)N(C)CCNC(=O)[C@@H]1CCCS1(=O)=O 1431281146 JJDVVXSAYAYZOW-ZJUUUORDSA-N 301.368 -0.702 30 20 DBED C[C@@H](CNC(=O)C(C)(C)S(C)(=O)=O)N(C)C(=O)[C@H](C)C#N 1442964446 RPBUZMBETROKLY-ZJUUUORDSA-N 317.411 -0.068 30 20 DBED C[C@H](CN(C)C(=O)c1cc(C#N)c[nH]1)NC(=O)Cc1nc[nH]n1 1443756782 BKHQTPGWYWAHOL-SECBINFHSA-N 315.337 -0.176 30 20 DBED COCc1nocc1C(=O)N(C)C[C@H](O)CNC(=O)[C@@H](C)C#N 1444691727 UIDXLAJACZQWTL-VHSXEESVSA-N 324.337 -0.470 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]2COC(=O)N2)CC1 1451362088 UOIPPWNHJYKZHH-DBIOUOCHSA-N 308.338 -0.202 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)c2ccoc2CC(N)=O)C1 1454346721 PBGKPXHORWACBX-OPRDCNLKSA-N 318.333 -0.156 30 20 DBED CC1(O)CCC(NC(=O)Cn2cc(C#N)c(O)nc2=O)CC1 1471874664 ZUVFVRMFAFVNCH-UHFFFAOYSA-N 306.322 -0.370 30 20 DBED N#CCNC(=O)CN[C@H]1CCN(C(=O)CCn2cccc2)C1 1490847818 GQIMUELEMNEYQH-ZDUSSCGKSA-N 303.366 -0.292 30 20 DBED COCC#CCNC[C@H]1CCCN1C(=O)[C@H]1CN(C)CCO1 1568135967 FTAYSLQZPYYZAS-HUUCEWRRSA-N 309.410 -0.453 30 20 DBED C#Cc1ccc(C(=O)N[C@@H](C)CNC(=O)CNC(=O)O)nc1 1573312345 SDHBNTJDZNVWMW-VIFPVBQESA-N 304.306 -0.435 30 20 DBED C[C@H](Nc1cnc(C#N)c(-c2nn[nH]n2)n1)[C@@H]1CN(C)CCO1 1575445352 QLQRPSGYPRYZFU-WPRPVWTQSA-N 315.341 -0.341 30 20 DBED Cn1nnc(NC(=O)[C@H](C#N)Cc2ccc(-c3nn[nH]n3)cc2)n1 1581844882 OOYLUBNGRAIZKC-JTQLQIEISA-N 324.308 -0.289 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CC[C@@](OC)(C(=O)O)C1 1588692902 MNXLDTYVBCMBKG-RNCFNFMXSA-N 300.311 -0.994 30 20 DBED C=CCOC[C@H](NC(=O)c1cccc(C(=O)NC)n1)C(=O)O 1588861255 DNJSORCRSGFRRR-NSHDSACASA-N 307.306 -0.173 30 20 DBED CC[C@H]1NCC[C@H]1C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[nH]1 1590526930 UUCDRENHYRTZBL-RNFRBKRXSA-N 301.314 -0.212 30 20 DBED C=CCCO[C@@H](C)C(=O)NCCn1cnc(-c2nn[nH]n2)n1 1602841065 MDBNIXBYLORCDH-VIFPVBQESA-N 306.330 -0.444 30 20 DBED CC(C)(C)C[C@H](NS(=O)(=O)N1CCO[C@@H](C#N)C1)C(=O)O 1609656411 UJFYUJMHASHEOO-UWVGGRQHSA-N 319.383 -0.065 30 20 DBED Cn1c(=O)nc(O)c2nc(CCC(=O)NCC(C)(C)C#N)[nH]c21 1647131651 ALJRBLOTWQVPPU-UHFFFAOYSA-N 318.337 -0.039 30 20 DBED CCn1c(CN2CCC[C@@H](O)C2)nnc1N1CCO[C@H](C#N)C1 1647709869 CNKAWCDZUANOHR-CHWSQXEVSA-N 320.397 -0.017 30 20 DBED C=CCNC(=O)NC(=O)CN[C@H]1CCN(C(=O)[C@H](C)OC)C1 1713146076 RHRQOKMRTNMYCK-QWRGUYRKSA-N 312.370 -0.776 30 20 DBED C#CCN1CCN(CCCNC(=O)CCNC(=O)NC)CC1 1752343640 OMXHYNULRYCMTB-UHFFFAOYSA-N 309.414 -0.937 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@H](NC(=O)Cc2ccc(C)nc2)C1 1752683332 YTNLZJDFNPSQBA-SHTZXODSSA-N 314.389 -0.081 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H](C)CNC(=O)c1ccc(O)nn1 1752859266 YWJFDJUPPZRCCE-VHSXEESVSA-N 305.338 -0.972 30 20 DBED C#CCN1CCC[C@H]1CNC(=O)C[C@@]1(C)CCS(=O)(=O)N1 1753117112 VZGMMCMDGXSXFZ-GXTWGEPZSA-N 313.423 -0.328 30 20 DBED C#CCNC(=O)CN(CCNC(=O)c1n[nH]c(C)c1C)C1CC1 1753152218 BJACQFRDSPFNOY-UHFFFAOYSA-N 317.393 -0.030 30 20 DBED C#CCNC[C@H](C)N(C)C(=O)c1nc(C)n(-c2nc[nH]n2)n1 1753707838 SPPVECRDEAPIGY-VIFPVBQESA-N 302.342 -0.623 30 20 DBED C=CCCNC[C@@H](C)N(C)C(=O)c1cn(C)c(=O)n(C)c1=O 1753730374 WFKRNABJHRDXCC-LLVKDONJSA-N 308.382 -0.290 30 20 DBED CC#CCCCC(=O)N[C@@]1(C)CCN(CC(=O)NC(N)=O)C1 1754678517 SEXNWYRGQCKSCW-HNNXBMFYSA-N 308.382 -0.045 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(O)CN(Cc2cnn(C)c2)C1 1754773999 JMXKJDAJMCEVJN-AWEZNQCLSA-N 308.382 -0.590 30 20 DBED N#CCNC(=O)CNC[C@@H]1CN(C(=O)[C@@H]2CC=CCC2)CCO1 1754996284 XISQGCOPKXAWBE-ZIAGYGMSSA-N 320.393 -0.201 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)COCc2nncn2C)CCO1 1755013526 WWVKTZOUIOYBLQ-CYBMUJFWSA-N 321.381 -0.828 30 20 DBED CC#CCN1C[C@H]2C(CNC(=O)COCc3nncn3C)[C@@H]2C1 1755434330 QZBOSSQMPTUKEK-KBPBESRZSA-N 317.393 -0.351 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)C1CCN(C(=O)c2cnon2)CC1 1755534389 LMJWKJTWFKNLRB-LLVKDONJSA-N 319.365 -0.256 30 20 DBED C=CCNC(=O)[C@H](C)NC[C@H](O)CN(C)C(=O)c1cnccn1 1755771229 IKQRDBHAEFYULN-RYUDHWBXSA-N 321.381 -0.810 30 20 DBED CC(C)C#CC(=O)N(C)C[C@H](O)CN(C)CCOCCO 1755800782 NEDYOIJRUNZAIZ-CQSZACIVSA-N 300.399 -0.594 30 20 DBED C=CCCC(=O)N(C)[C@@H](C)CNC(=O)Cn1nc(C)n(C)c1=O 1756055903 LCVUIAYTWTXGHZ-NSHDSACASA-N 323.397 -0.180 30 20 DBED CC(C)C#CC(=O)N[C@H](C)C1CN(C(=O)CN2CCOCC2)C1 1756149998 OGHOZEOLKBRCNJ-CQSZACIVSA-N 321.421 -0.059 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C[C@H](C)NC(=O)c1cnc(O)n1C 1756453554 QCAUHWDRFARHIQ-QWRGUYRKSA-N 322.365 -0.259 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C[C@H](O)CNC(=O)c1[nH]ccc1C 1756662434 GKKZBOKBTUIJBW-CHWSQXEVSA-N 321.377 -0.089 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(C(=O)[C@H]2CC(=O)N(C)C2)[C@@H]1C 1757503571 YERCMQJDGCDGKH-AGIUHOORSA-N 323.393 -0.227 30 20 DBED O=C(O)C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc[nH]n1 1793742531 XROHOAZTIOZFIL-JGPRNRPPSA-N 316.317 -0.251 30 20 DBED C#CC(=O)Nc1cc([C@H]2CCCCN2C(=O)CNC(=N)N)[nH]n1 1821873291 KYZBWPODBMKVKU-SNVBAGLBSA-N 317.353 -0.482 30 20 DBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)COC(C)C)CCO2 1830023326 NULTWKXTEVFNHU-INIZCTEOSA-N 324.377 -0.499 30 20 DBED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)C3CC3)C2)C1 1834767969 UPNKCPXFWKBYNE-OAHLLOKOSA-N 307.350 -0.234 30 20 DBED CCNC(=O)CNC(=O)C(=O)Nc1cc(C#N)ccc1OC 64763279 NRMBHLSCPFTOJV-UHFFFAOYSA-N 304.306 -0.242 30 20 DBED N#CCN(C(=O)C1=CC=CN2CCS(=O)(=O)N=C12)C1CC1 68230986 INLHENSTQUZRRR-UHFFFAOYSA-N 306.347 -0.001 30 20 DBED CN(CCC#N)C(=O)Cn1cc(Br)c(=O)[nH]c1=O 126703296 DHPMYDLMWVHQMW-UHFFFAOYSA-N 315.127 -0.329 30 20 DBED CN(C)S(=O)(=O)CCNS(=O)(=O)c1ccccc1C#N 231009169 DZXIPGABUOMGEN-UHFFFAOYSA-N 317.392 -0.272 30 20 DBED C#Cc1cccc(NC(=O)C(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)c1 268419490 FGVOTVJIQMSPMW-OLZOCXBDSA-N 315.329 -0.245 30 20 DBED C=CCNC(=O)CNC(=O)N1CC[C@@H](NC(=O)NC2CC2)C1 273833279 PYMHPXAKKVFZTI-LLVKDONJSA-N 309.370 -0.466 30 20 DBED COC[C@H]1CN(c2c(C#N)c(=O)n(C)c(=O)n2C)C[C@H](C)O1 275795749 CRDBQVMCMQZESH-VHSXEESVSA-N 308.338 -0.804 30 20 DBED CCOC(=O)c1cnn(CCS(=O)(=O)N(C)C)c1C#N 284974759 ATXOHYBTOSIOKM-UHFFFAOYSA-N 300.340 -0.177 30 20 DBED CCOC(=O)C(=O)c1cc(S(=O)(=O)N(C)CC#N)cn1C 288550100 ITUVGTUSTAXGQR-UHFFFAOYSA-N 313.335 -0.085 30 20 DBED C=CCCCS(=O)(=O)N1CCN(C(=O)C(=O)OCC)CC1 293238390 GCGDODBCXJVFKP-UHFFFAOYSA-N 318.395 -0.010 30 20 DBED CC[C@H](O)CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 295364882 PHVSUUGFBHFLAH-NSHDSACASA-N 311.363 -0.276 30 20 DBED CCN1CCCN(/C(O)=N/C[C@H]2CN(C)CCN2C)CC1=O 329867725 WLIZXSZZECIEBM-ZDUSSCGKSA-N 311.430 -0.300 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)NCC1(CO)CCOCC1 330413045 MDXAFLFUEURGGQ-LLVKDONJSA-N 305.400 -0.156 30 20 DBED CSCC[C@@H](CO)NS(=O)(=O)N1CCO[C@@H](C#N)C1 336897967 OWRHKZNAIPAJCI-UWVGGRQHSA-N 309.413 -0.841 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)C[C@@](C)(O)C2CC2)CC1 339432964 GPHHVZUYMZVFRJ-MRXNPFEDSA-N 309.410 -0.016 30 20 DBED COC(=O)[C@@H](CNC(=O)C(=O)Nc1cccc(C#N)c1)OC 342260401 CWLVVMPGOFXOEN-LLVKDONJSA-N 305.290 -0.199 30 20 DBED CC#CCN(C)C(=O)C(=O)Nc1cccc(OCC(N)=O)c1 344235801 VLZZSYLBTHZJEA-UHFFFAOYSA-N 303.318 -0.029 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CCOC[C@H]1CC(=O)OC 344960044 UVCAVIJPSZWSRR-LLVKDONJSA-N 319.383 -0.269 30 20 DBED C=CCNC(=O)CNC(=O)NCC1(CS(C)(=O)=O)CC1 346747511 DWHMZKWFJCIZJO-UHFFFAOYSA-N 303.384 -0.587 30 20 DBED N#Cc1ccccc1S(=O)(=O)NCCCN1CCNC(=O)C1 352071145 XQOKDIMAAAONHZ-UHFFFAOYSA-N 322.390 -0.342 30 20 DBED Cc1sc(S(=O)(=O)NCC(=O)NCC#N)cc1[N+](=O)[O-] 352507709 CGUJZTDPYRBMLD-UHFFFAOYSA-N 318.336 -0.117 30 20 DBED COC(=O)[C@H]1CNC(=O)CN1C(=O)c1ccc(F)c(C#N)c1 355477624 GDAPHGCRAAEEFR-LLVKDONJSA-N 305.265 -0.189 30 20 DBED C=CCN(CCOC)C(=O)C(=O)Nc1cccc(C(N)=O)n1 362030626 XFKSODYLYBAHAR-UHFFFAOYSA-N 306.322 -0.220 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@]1(C)CCS(=O)(=O)C1 407955163 QJNSDXPZHBVGPE-MNOVXSKESA-N 323.440 -0.120 30 20 DBED COC(=O)C[C@@H](C)N1CCN(S(=O)(=O)[C@H](C)C#N)CC1 416420602 WLSNQIJXHQNLMX-GHMZBOCLSA-N 303.384 -0.203 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)N(CCN)Cc2ccccc2)CCO1 423677800 HSNIWJCXJLUGSE-AWEZNQCLSA-N 316.361 -0.275 30 20 DBED C=C(C)CNC(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1 428109688 CBWZSDTUUAWRIP-UHFFFAOYSA-N 301.324 -0.651 30 20 DBED CC(C)NS(=O)(=O)NCCNC(=O)C1(C#N)CCOCC1 430501863 ALQNVEVCBSEZPK-UHFFFAOYSA-N 318.399 -0.745 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@@H](CC(C)C)OC)CC1 491754898 WIGYLAZBCMPWID-CQSZACIVSA-N 309.410 -0.059 30 20 DBED COC(=O)NCC(=O)OCc1cc(O)n2ncc(C#N)c2n1 496421293 RLIUFIPRUYIASS-UHFFFAOYSA-N 305.250 -0.294 30 20 DBED C[C@@H](C(=O)N1CC(C#N)C1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 590485880 QERMAJBEFNGWPI-VSYPEIIYSA-N 303.318 -0.481 30 20 DBED CCOC(=O)C[C@H](NC(=O)NCC(=O)NCC#N)C(F)(F)F 596999564 BAJLIBHOAYJZIH-ZETCQYMHSA-N 324.259 -0.191 30 20 DBED N#Cc1ncn(CC(=O)N2CCN(C(=O)N3CCCC3)CC2)n1 598917022 OUSLHYZQGQSVSH-UHFFFAOYSA-N 317.353 -0.490 30 20 DBED CCOC(=O)CCS(=O)(=O)N1CCN(CCC#N)CC1 601536349 NAWIJSMBPXYHGX-UHFFFAOYSA-N 303.384 -0.199 30 20 DBED N#CCCN1CCN(C(=O)C(=O)N2CCC[C@@H](CCN)C2)CC1 601584187 SWRONJJZXHSSLX-AWEZNQCLSA-N 321.425 -0.368 30 20 DBED C=C[C@H](C(=O)OC)N(CC)CC(=O)N[C@H]1CCS(=O)(=O)C1 619716688 VYXZBJZYWFNJLG-WDEREUQCSA-N 318.395 -0.661 30 20 DBED C#Cc1cccc(NC(=O)C(=O)NCCCS(N)(=O)=O)c1 737255025 STIAKQRKJVBZEG-UHFFFAOYSA-N 309.347 -0.599 30 20 DBED C=CCn1c(C)nnc1S(=O)(=O)CCN1CCOC1=O 743249116 IHQNSLGAPGANIJ-UHFFFAOYSA-N 300.340 -0.002 30 20 DBED C#CCCCNC(=O)N1CCN(S(=O)(=O)N(C)C)CC1 743690836 KKXHDLGOHKUIQG-UHFFFAOYSA-N 302.400 -0.467 30 20 DBED C=CCS(=O)(=O)CCNC(=O)Nc1nccn(C)c1=O 757907250 QJPZGIFBTQRMCN-UHFFFAOYSA-N 300.340 -0.497 30 20 DBED C#CCCN1CCN(CC(=O)N2CCC[C@H](NC(C)=O)C2)CC1 776595097 CHRLIDZZIGTGNV-INIZCTEOSA-N 320.437 -0.246 30 20 DBED C#CCOCCC(=O)N1CC[C@H](C(=O)OC)C[C@H]1C(=O)OC 780137867 RFBMIJBXRQBOAE-RYUDHWBXSA-N 311.334 -0.021 30 20 DBED CC(C)(C)OC(=O)CNC(=O)Cn1ccc(C=NO)nc1=O 784052287 VOCCMQZXOCTURO-UHFFFAOYSA-N 310.310 -0.491 30 20 DBED C#Cc1cccc(CNC(=O)C(=O)N(C)CCOCCO)c1 817842985 LAANZCYFZMBTBB-UHFFFAOYSA-N 304.346 -0.249 30 20 DBED C#CCOCCNC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)cc1 823856781 XZTZIWIGSBMWRZ-UHFFFAOYSA-N 314.305 -0.429 30 20 DBED CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)N[C@H]1CNC[C@@H]1C#N 834480974 YOWNKIQHHLDHPZ-LPEHRKFASA-N 302.400 -0.822 30 20 DBED N#C[C@@H]1CNC[C@@H]1NC(=O)c1ccc(N2CCOCC2)nc1 834515878 CXLVXPLUELTPOE-OLZOCXBDSA-N 301.350 -0.240 30 20 DBED C[C@@H](N)C[C@@H](C)NC(=O)C(=O)NCCNc1ccc(C#N)cn1 843264766 OSBUCJFWJHJDEQ-GHMZBOCLSA-N 318.381 -0.277 30 20 DBED C=CCS(=O)(=O)CCNC(=O)NCCN1CCCC1=O 845109042 XPMSTJXQBZUEHZ-UHFFFAOYSA-N 303.384 -0.491 30 20 DBED N#C[C@H]1CN(C(=O)[C@H]2CCc3nnnn3CC2)CCN1C1CC1 845491087 DFUTWEAQLQSURP-AAEUAGOBSA-N 315.381 -0.176 30 20 DBED C#CCNS(=O)(=O)N1CCN([C@H]2CC[C@@H](OC)C2)CC1 851873524 CCUVFXNFCUFDHV-QWHCGFSZSA-N 301.412 -0.361 30 20 DBED C#CC[C@H](CCOC)NC(=O)NCCNC(=O)c1cc[nH]n1 858353250 JWTZCGSUZKGPCH-LLVKDONJSA-N 307.354 -0.133 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)OCC#C 870861683 JJGRFUZIJDHGPS-AJNGGQMLSA-N 318.373 -0.125 30 20 DBED C#CCSCC(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 889196828 UWXRAMORAGMREZ-UHFFFAOYSA-N 323.422 -0.134 30 20 DBED C#CC1(O)CN(C(=O)[C@H](CO)NC(=O)OCc2ccccc2)C1 890527603 WHXVCNLDVSTKEO-ZDUSSCGKSA-N 318.329 -0.520 30 20 DBED C#CC1(O)CN(C(=O)NCCCN(C)S(=O)(=O)CC)C1 891995796 MMDPIFVDTBWBBB-UHFFFAOYSA-N 303.384 -0.953 30 20 DBED Cn1c(=O)c2nc(CN3CCC[C@@H](C#N)C3)[nH]c2n(C)c1=O 932152555 KGTPPIYRWYCQIY-VIFPVBQESA-N 302.338 -0.304 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CCN(C(=O)Cn3cncn3)C2)c1 936147629 WHLVHOQEQIBLSN-LLVKDONJSA-N 313.321 -0.491 30 20 DBED CN(C(=O)CN1CCOCC1)[C@@H]1CCN(C(=O)C#CC2CC2)C1 937347295 KJHWOZZSSWPLET-OAHLLOKOSA-N 319.405 -0.209 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](NC(=O)c2cccnc2C(N)=O)C1 938052983 SIEXWVCBUUPKNY-ZJUUUORDSA-N 315.333 -0.329 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](N(C)C(=O)C2CC(=O)NC(=O)C2)C1 939396622 KKGYSHJIWCKZEP-KOLCDFICSA-N 320.349 -0.742 30 20 DBED C=CCN1CC[C@@H](N2CCN(C(=O)c3[nH]nnc3C)CC2)C1=O 949602586 DKTUOFRUOFIUMY-GFCCVEGCSA-N 318.381 -0.342 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2CCN2C(=O)c2cnon2)nn1 950052396 GRURURQXAUHJJX-SECBINFHSA-N 317.309 -0.508 30 20 DBED CN(C(=O)c1cn(C)c(=O)cn1)C1CN(C(=O)C#CC2CC2)C1 954979383 KGDZCSRSWIABTL-UHFFFAOYSA-N 314.345 -0.524 30 20 DBED COCCn1cc(C(=O)NC[C@@H]2CN(CC#N)C[C@H]2O)c(C)n1 958064710 VXGIEAHPEJLMHX-TZMCWYRMSA-N 321.381 -0.616 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cc(C3CC3)n(C)n2)C1 958121871 MZNMDFGPMKSISD-SWLSCSKDSA-N 302.378 -0.047 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2cnc3n2CCOC3)C1 958151508 JKLUZFRXJBSYHN-YPMHNXCESA-N 304.350 -0.931 30 20 DBED CC#CCN1C[C@@H](O)[C@@H](CNC(=O)c2n[nH]c3c2CCC3)C1 958210616 OXNOEOSVQBPXHV-SMDDNHRTSA-N 302.378 -0.056 30 20 DBED CC#CCN1C[C@H](O)[C@H](CNC(=O)c2ccc(C(N)=O)nc2)C1 958748429 MOHQAXLJGXNSAA-OCCSQVGLSA-N 316.361 -0.774 30 20 DBED Cc1n[nH]c(C)c1C(=O)N(C)[C@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1O 958920374 IOCZGWZUNQPPCH-UWJYBYFXSA-N 319.365 -0.170 30 20 DBED CC(F)(F)C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1O 961164204 VRYXJZYVXOARCU-ZJUUUORDSA-N 312.276 -0.157 30 20 DBED Cc1ccc(=O)n(CC(=O)N[C@H]2CN(CC#N)CC[C@H]2C)n1 968565404 FYYYHTJNXCABGV-YPMHNXCESA-N 303.366 -0.098 30 20 DBED N#CCN1CCCCC[C@@H]1CNC(=O)c1cn(CC(N)=O)nn1 969156118 JXTWPJWZOXLCDL-LLVKDONJSA-N 319.369 -0.739 30 20 DBED C#CCN1CC([C@@H](C)NC(=O)[C@H]2C[C@H](OC)CN2C(C)=O)C1 970213331 MDYOAUSZCMEQJR-BYCMXARLSA-N 307.394 -0.308 30 20 DBED C#CCN[C@@H]1CCN(C(=O)COc2ccc(C(N)=O)cc2)C1 970749200 IXNGNQGCMDKLBG-CYBMUJFWSA-N 301.346 -0.012 30 20 DBED C#CCN1CCC(C(=O)N[C@@H](C)C2CN(CC(N)=O)C2)CC1 970927305 YHHSBEYHVBQAPO-LBPRGKRZSA-N 306.410 -0.747 30 20 DBED Cc1nc(C(=O)N2CC[C@@H](N(C)CC#N)C2)nn1-c1nc[nH]n1 972047761 DEMRAKQJIRHGIV-SNVBAGLBSA-N 315.341 -0.636 30 20 DBED N#CCN1CCO[C@@]2(CCN(C(=O)C[C@@H]3CCNC3=O)C2)C1 972406795 COEOVPUYBXMWEF-WFASDCNBSA-N 306.366 -0.661 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)C[C@@H]3CCC(=O)N3)[C@H]2C1 976832253 ZJMCQEUSGMNAQM-TUYISWAISA-N 304.350 -0.612 30 20 DBED C=CCCN1C[C@H]2[C@H](CNC(=O)c3cnc(O)n(C)c3=O)[C@H]2C1 978599433 QUTNUYWQMKHADF-UOJUARBOSA-N 318.377 -0.030 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCC1[C@H]2CN(CC(=O)N(C)C)C[C@H]12 978716300 JPPCTFYHXBAPPM-NGFQHRJXSA-N 321.421 -0.040 30 20 DBED CN(C[C@@H]1CCN(C(=O)C#CC2CC2)C1)C(=O)c1nnn(C)n1 987984177 BACXCQGMSGLRBZ-LBPRGKRZSA-N 316.365 -0.456 30 20 DBED C[C@H]1C[C@H](NCC#N)CN1C(=O)C1CC2(C1)CS(=O)(=O)C2 989047042 RCHUAHNNOOADEB-JQWIXIFHSA-N 311.407 -0.086 30 20 DBED N#CCN1CCCN(C(=O)c2cn([C@@H]3CCOC3)nn2)CC1 989440907 YHFQINMDYVABIV-GFCCVEGCSA-N 304.354 -0.089 30 20 DBED Cn1nnnc1CNC1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 991295053 GKWFRZOCWZPEIE-UHFFFAOYSA-N 314.353 -0.196 30 20 DBED C=C1CC(C)(C(=O)N2CC(NC(=O)C3CS(=O)(=O)C3)C2)C1 991915860 STWBCZCXQNDENZ-UHFFFAOYSA-N 312.391 -0.286 30 20 DBED C=CCN1CC[C@@]2(NC(=O)Cn3c(O)nnc3O)CCC[C@@H]12 992445518 KNRASRCWAYQYDU-YGRLFVJLSA-N 307.354 -0.012 30 20 DBED C[C@@H]1[C@H](NC(=O)Cn2ccc(O)nc2=O)CCCN1CC#N 993570901 QBCBSECMVCXSKH-GHMZBOCLSA-N 305.338 -0.558 30 20 DBED C=CCN1CCC[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)[C@@H]1C 993921266 WGMHKYYTBDZOCJ-WCQYABFASA-N 320.393 -0.147 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN(C(=O)c2nonc2C)C1 994756010 TWJJDAVOQJDCIN-LBPRGKRZSA-N 317.349 -0.584 30 20 DBED C#CCCN1CC=C(CNC(=O)c2cn(CC(N)=O)nn2)CC1 1001471641 LXAWLTUIPWUDRW-UHFFFAOYSA-N 316.365 -0.851 30 20 DBED N#CCN1CCC(CNC(=O)c2nccnc2C(N)=O)CC1 1002106558 LFSVBBRZSNLHLJ-UHFFFAOYSA-N 302.338 -0.459 30 20 DBED C[C@@H](C#N)C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1c[nH]c(=O)cn1 1005587385 RQRPDUKEOBWGOA-XNDJQWLSSA-N 315.333 -0.209 30 20 DBED C#CCCN1CCC[C@H](NC(=O)CN2CC(=O)N(C)C2=O)C1 1009187106 JVWDZSSSEQZOAU-LBPRGKRZSA-N 306.366 -0.516 30 20 DBED C#CCCN1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CCC1=O 1018251162 CKQRCFWLQBCHKM-BETUJISGSA-N 303.362 -0.166 30 20 DBED C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(S(N)(=O)=O)o1 1032496600 JNDWVEXGHHWOAI-QWRGUYRKSA-N 323.374 -0.151 30 20 DBED CC[C@@H]1CN(C(=O)c2cnc(O)n(C)c2=O)CC[C@@H]1NCC#N 1037901758 DBBKDTPFVTXLIO-PWSUYJOCSA-N 319.365 -0.160 30 20 DBED CC[C@H]1CN(C(=O)CN2C(=O)CN(C)C2=O)CC[C@@H]1NCC#N 1037983042 DTAYSLIUCXXFGN-RYUDHWBXSA-N 321.381 -0.379 30 20 DBED C[C@@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)C2(N(C)C)CCC2)C1 1040759356 HUWFWHNGQVRNDD-SWLSCSKDSA-N 322.409 -0.290 30 20 DBED CN(C)CCC(=O)NC[C@@]1(O)CCN(C(=O)C#CC2CC2)C1 1040797729 KMWDVCBLEHPQIR-INIZCTEOSA-N 307.394 -0.569 30 20 DBED C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1O 1041342639 PEGPMXZDAOKOLE-BIAAXOCRSA-N 317.349 -0.561 30 20 DBED C[C@@H]1CN(c2nccnc2C#N)C[C@H]1NC(=O)c1ncn(C)n1 1041851644 AGKSSBWFVSPSCD-MWLCHTKSSA-N 312.337 -0.269 30 20 DBED CC[C@H](OC)C(=O)NCC1(O)CN(C(=O)c2ccc(C#N)[nH]2)C1 1041905250 RRDAWFJROBSKIK-LBPRGKRZSA-N 320.349 -0.386 30 20 DBED N#Cc1cc(C(=O)NCC2(O)CN(C(=O)[C@@H]3CCOC3)C2)c[nH]1 1042669473 OGZZXRDXLCWJAJ-SNVBAGLBSA-N 318.333 -0.774 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)Cc2n[nH]c(C)n2)C1 1042802510 KYXRJERQOIBMBA-UHFFFAOYSA-N 319.365 -0.851 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)[C@@H]2[C@H]3CCC[C@H]32)C1 1043033114 QWGFGPPMSSQQNH-NHAGDIPZSA-N 320.389 -0.238 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)[C@@H]2CCCOC2)C1 1043039893 KOGZNBNNTYSKMC-CHWSQXEVSA-N 324.377 -0.859 30 20 DBED COC1CC(C(=O)N[C@@H]2CN(c3ccnc(C#N)n3)C[C@@H]2O)C1 1044267786 YNMCHCNLDDSSCO-HCWSGVFWSA-N 317.349 -0.561 30 20 DBED CC#CCN1CC[C@](C)(NC(=O)C2CC3(C2)NC(=O)NC3=O)C1 1046697682 PCAKHBGBYPFFIE-AJQRCPHMSA-N 318.377 -0.422 30 20 DBED COCC(=O)N(C)[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1O 1048023113 YWKNFDHKDAVOQL-RYUDHWBXSA-N 306.322 -0.824 30 20 DBED C=C[C@](C)(O)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cc[nH]n2)C1 1048327524 ONTJXTOUEMTCGI-HUBLWGQQSA-N 322.365 -0.620 30 20 DBED C=CCOCC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CC2(F)F)C[C@@H]1O 1048555024 NFZNMLHSKBWJAC-DCAQKATOSA-N 318.320 -0.126 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CN(C[C@H](O)Cn3cccn3)C[C@@H]2C1 1048725980 YAOKWDCMQVNCIS-XQLPTFJDSA-N 317.393 -0.206 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CN([C@@H](C)c3nnnn3C)C[C@@H]2C1 1048727799 MUUFNKOHAJKWSW-FIQHERPVSA-N 303.370 -0.179 30 20 DBED C=CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cn2ncnn2)C1 1048885125 UEAVJWUIYWVERU-RYUDHWBXSA-N 322.369 -0.941 30 20 DBED COCC1(C(=O)N(C)[C@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)CC1 1049075677 WADKEUIARLKVPL-WOPDTQHZSA-N 309.366 -0.397 30 20 DBED Cc1[nH]nc(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)C#N)C2)c1C 1049388688 OQQOIFMYUYTYPW-UWJYBYFXSA-N 319.365 -0.170 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cc2nc[nH]n2)C1 1049593814 GRWAFWRYFMXKLT-RYUDHWBXSA-N 319.365 -0.963 30 20 DBED C=C(C)CN1CCOC[C@@H]1CNC(=O)c1cn(CCOC)nn1 1050907255 VQMUCJFWMDLZMI-ZDUSSCGKSA-N 323.397 -0.069 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)C1CCC(C(N)=O)CC1 1050992263 HKGRYNYGVTVIHW-RUXDESIVSA-N 307.394 -0.272 30 20 DBED C=CCN1CCOC[C@H]1CNC(=O)c1ccn2nnnc2c1 1051062476 VRQVXGUNZPSTFV-GFCCVEGCSA-N 302.338 -0.259 30 20 DBED N#Cc1ccc(CNC[C@H]2CN(C(=O)CC(N)=O)CCO2)s1 1051503924 DYPUIOBQCDNZHR-JTQLQIEISA-N 322.390 -0.188 30 20 DBED C[C@@]1(C(=O)N2CC[C@@H](N3CCN(CC#N)CC3)C2)CCC(=O)N1 1052079962 SKRXWTYZQNDIPZ-CJNGLKHVSA-N 319.409 -0.603 30 20 DBED C[C@H]1CC(=O)N[C@@H](C(=O)NC[C@@H]2CCC3(CN(CC#N)C3)O2)C1 1053604207 YMSJUIJJBJVLPS-FRRDWIJNSA-N 320.393 -0.226 30 20 DBED C=C(Cl)CN1CC2(C[C@H](NC(=O)Cn3cnnn3)CO2)C1 1053733081 MIBSJDASMCTBDH-JTQLQIEISA-N 312.761 -0.615 30 20 DBED C#CCOCCC(=O)N1C[C@H]2CN(C(=O)[C@H]3CCOC3)C[C@H]2C1 1055218524 QUPNMPBAJGUAAN-SOUVJXGZSA-N 320.389 -0.020 30 20 DBED CCOCC(=O)N[C@]1(CO)CCCN(C(=O)C#CC2CC2)C1 1055731921 NNKSAJINXHAPHW-MRXNPFEDSA-N 308.378 -0.094 30 20 DBED C=CCOCC(=O)N[C@]1(CO)CCCN(C(=O)c2ncc[nH]2)C1 1055831081 JQMIEUJVUHVJDJ-OAHLLOKOSA-N 322.365 -0.304 30 20 DBED N#Cc1ccc(N2CCN(C(=O)[C@@H]3CCNC3=O)CC2)nn1 1055974083 VKICOYSUQKLACZ-LLVKDONJSA-N 300.322 -0.867 30 20 DBED CCCN(C)CC(=O)N[C@]1(CO)CCCN(C(=O)[C@@H](C)C#N)C1 1056031762 DJAXQNFOFFMMKS-XJKSGUPXSA-N 324.425 -0.042 30 20 DBED C=C[C@@H](CC)CC(=O)N[C@]1(CO)CCCN(C(=O)C(N)=O)C1 1056066048 SZOKUWJJULFLMT-XHDPSFHLSA-N 311.382 -0.456 30 20 DBED N#Cc1cnc(N2C[C@@H]3C(NC(=O)c4cnnc(O)c4)[C@H]3C2)cn1 1056332911 BACDRTFAIFFRJO-QWRGUYRKSA-N 323.316 -0.292 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)[C@H](C)n1cccn1 1057193123 AHOVCOZOLUWXHV-ZDUSSCGKSA-N 324.381 -0.416 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)[C@H]1CCCCO1 1057351033 MZBXLPJNKXQMCA-CYBMUJFWSA-N 314.382 -0.305 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)Cc1cncnc1 1057453969 DJKSOVFSSUOHBB-LLVKDONJSA-N 305.338 -0.884 30 20 DBED C#CCOCCC(=O)N(CCO)CCNC(=O)[C@H]1CC12CC2 1057581922 YXZWXAXZRWUBAY-CYBMUJFWSA-N 308.378 -0.237 30 20 DBED Cc1cc(C)n(CC(=O)N(CCO)CCNC(=O)[C@@H](C)C#N)n1 1058079365 KXEUPMYLWUCGHX-NSHDSACASA-N 321.381 -0.403 30 20 DBED CCOc1cc(C(=O)NCCN(CCO)C(=O)[C@H](C)C#N)on1 1058661521 YMHUTHVTGURJEV-SNVBAGLBSA-N 324.337 -0.216 30 20 DBED CCc1nc(C#N)cc(N2C[C@@H]3CC[C@H](C2)N3C(=O)C(N)=O)n1 1058795883 KXNHOIRYBIWFEZ-PHIMTYICSA-N 314.349 -0.424 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(CCO)CCNC(=O)c1ccon1 1058874459 XWMYWAWORLJXLT-YPMHNXCESA-N 323.349 -0.184 30 20 DBED C[C@H](C(=O)N1CC[C@H](Nc2cncc(C#N)n2)C1)S(C)(=O)=O 1059109597 PJHGQDQVSRLXEG-ZJUUUORDSA-N 323.378 -0.206 30 20 DBED N#Cc1cnc(N[C@H]2C[C@H](NC(=O)c3c[nH]c(=O)cn3)C2)cn1 1059387862 HGNOHOWMQYWWNT-KYZUINATSA-N 311.305 -0.196 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H]1CC[C@H](NC(=O)CC(N)=O)CC1 1060699431 UCJIRAPZEWSXRC-JHJVBQTASA-N 323.393 -0.309 30 20 DBED C=CCCOCC(=O)NC[C@H]1CC[C@H](NC(=O)C(N)=O)CC1 1060808620 WFWZGBCSHRERDM-HAQNSBGRSA-N 311.382 -0.144 30 20 DBED Cc1cnn(C)c1C(=O)N1CCOC[C@@H]1CNC(=O)[C@H](C)C#N 1061850433 GLAZNTAMHHMKFY-PWSUYJOCSA-N 319.365 -0.155 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CCCCN1C(=O)[C@H](C)NC(N)=O 1062158776 SKBLHGIHUHDKCW-GARJFASQSA-N 309.370 -0.300 30 20 DBED C[C@H](C#N)C(=O)N1CCCC[C@@H]1CNC(=O)Cn1nccn1 1062333547 VURJYDFSDSINLB-VXGBXAGGSA-N 304.354 -0.065 30 20 DBED C=CCOCC(=O)NCC1(NC(=O)[C@H]2CN(C)C(=O)N2)CCC1 1062704448 LNRULEOWFJIWBE-LLVKDONJSA-N 324.381 -0.632 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)CN2CCOCC2=O)CCC1 1063403429 KJBHRRRRKSRTME-NSHDSACASA-N 322.365 -0.840 30 20 DBED N#CCSCC(=O)N1CCO[C@H](CNC(=O)c2nc[nH]n2)C1 1064882847 KTSGFRFLCDKNBS-SECBINFHSA-N 324.366 -0.981 30 20 DBED COC[C@@H](OC)C(=O)N1CCO[C@@H](CNC(=O)C#CC2CC2)C1 1065590627 COTIYABJJGMTOL-UONOGXRCSA-N 324.377 -0.595 30 20 DBED C=CCOCC(=O)N1CCC[C@@H](NC(=O)CC(=O)NC)CC1 1066084612 BTAPZVJYNUIOGY-GFCCVEGCSA-N 311.382 -0.178 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@H](CN=c2cc[nH]c(C#N)n2)C1 1066601918 IEHUFCGWOXQYMM-WDEREUQCSA-N 300.322 -0.431 30 20 DBED COCC(=O)N1CCC[C@](CO)(Nc2ccnc(C#N)n2)C1 1066879936 TUEGANXEBFLIAB-AWEZNQCLSA-N 305.338 -0.240 30 20 DBED C[C@@H]1CN(C(=O)Cc2nc[nH]n2)C[C@@H]1Nc1cncc(C#N)n1 1067145236 VFXCERIGVIXMNL-KOLCDFICSA-N 312.337 -0.032 30 20 DBED C[C@H](C#N)C(=O)N(C)CCCN(C)C(=O)CN1C(=O)CCC1=O 1067400627 HUSMCFMIURQYLL-LLVKDONJSA-N 322.365 -0.398 30 20 DBED C#CCCCC(=O)N1CC2(CC[C@H](CNC(=O)CC(N)=O)O2)C1 1068543895 SIEYDMWJTQENGN-GFCCVEGCSA-N 321.377 -0.459 30 20 DBED CN(C(=O)Cn1nccn1)C1CC(N=c2cc[nH]c(C#N)n2)C1 1069779147 YHVBDQBJAWFQAD-UHFFFAOYSA-N 312.337 -0.537 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)Cc2cncn2C)C1 1070076160 JOKBCBPKEMGANE-KGLIPLIRSA-N 313.365 -0.771 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)[C@H]2CCC(=O)N2)CCOCC1 1070231212 PRDFKPCKRLZWMK-WDEREUQCSA-N 322.365 -0.794 30 20 DBED C=CCOCC(=O)N1CCC[C@@H](NC(=O)CC(=O)N(C)C)C1 1070553539 UXXHBQGKBTWVAZ-GFCCVEGCSA-N 311.382 -0.226 30 20 DBED C#CCOCCC(=O)N1CCC[C@@H](NC(=O)CCNC(N)=O)C1 1070730483 INAXHXYTCCOPIF-GFCCVEGCSA-N 324.381 -0.808 30 20 DBED N#CCN1C[C@H]2C[C@H]3CN(C(=O)[C@H]4CCCNC4=O)C[C@@]3(C1)O2 1070811005 GLPLAHRDYUINRO-RSUWNVLCSA-N 318.377 -0.662 30 20 DBED Cn1cc(C(=O)N2CCC([C@@H]3OCC[C@H]3NCC#N)CC2)nn1 1071053491 XATCCCWHBYHXQU-OCCSQVGLSA-N 318.381 -0.062 30 20 DBED C=CCOCC(=O)N[C@H]1CN(C(=O)c2ncn(C)n2)C[C@@H]1C 1072014953 WPKIDOVEKBPGOK-QWRGUYRKSA-N 307.354 -0.406 30 20 DBED C#CCOCCC(=O)N1CCC(C)(NC(=O)c2cnn[nH]2)CC1 1073024444 XVTJEXZXUPNAAP-UHFFFAOYSA-N 319.365 -0.045 30 20 DBED N#CCN1CCC2(C1)CN(C(=O)[C@H]1CCCS(=O)(=O)C1)C2 1073025615 IIMPSUXEXBRBRA-LBPRGKRZSA-N 311.407 -0.131 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](NC(=O)COC)[C@@H](C)C1 1073633223 VYUFODTYHSRNQQ-RYUDHWBXSA-N 309.366 -0.875 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)c2ncc(OC)cn2)C1 1073690515 YDWAGBSTHWHEHK-ZDUSSCGKSA-N 304.350 -0.061 30 20 DBED C#CCCN1CCCO[C@@H](CNC(=O)[C@@H]2CCN(C)C2=O)C1 1073732560 REBLPWWUXGUPOE-KBPBESRZSA-N 307.394 -0.305 30 20 DBED CN(C)C(=O)CN1CCO[C@@H]2CCN(C(=O)C#CC3CC3)C[C@H]21 1074235437 GKIKTYBEYIYCKR-HUUCEWRRSA-N 319.405 -0.210 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)c3[nH]c(O)nc3C)C[C@H]21 1074270128 CAHVPWPISCLPDQ-NEPJUHHUSA-N 304.350 -0.028 30 20 DBED Cn1cc(C(=O)N2CC[C@@H]3OCCN(CC#N)[C@@H]3C2)nc1O 1074331824 NRHZRGUAXGLUAS-NEPJUHHUSA-N 305.338 -0.435 30 20 DBED CCN(C)CCC(=O)NCC1(O)CCN(C(=O)[C@@H](C)C#N)CC1 1074704782 IERHIPXCCHNLKH-ZDUSSCGKSA-N 324.425 -0.042 30 20 DBED Cc1c[nH]nc1C(=O)NCC1(O)CCN(C(=O)[C@@H](C)C#N)CC1 1074705276 PTAKFLIWXQIQPC-JTQLQIEISA-N 319.365 -0.039 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H](C)CCNC(=O)CCn1cncn1 1075641946 HABKRFZGCKQJTP-QWHCGFSZSA-N 321.381 -0.283 30 20 DBED C#CCCN1C[C@@H]2CCN(C(=O)CN3CCCNC3=O)[C@@H]2C1 1075985739 ORTPVZQEGANVIH-UONOGXRCSA-N 304.394 -0.042 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H](C)CCNC(=O)c1cnn(C)n1 1077384227 PZWKRAWUXRWIMR-HZMBPMFUSA-N 309.370 -0.233 30 20 DBED C[C@@H](CCNC(=O)[C@@H]1CCNC1=O)NC(=O)c1ccc(C#N)[nH]1 1077731352 URIAKMSPSGMGRL-ONGXEEELSA-N 317.349 -0.353 30 20 DBED C[C@@H](CCNC(=O)c1nc2ncccn2n1)NC(=O)[C@H](C)C#N 1077982092 FUZZTISFHPYXRM-ZJUUUORDSA-N 315.337 -0.091 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)C2CCN(CC#C)CC2)C1 1078227322 VBFLSIKDJMLJCV-HZPDHXFCSA-N 303.406 -0.484 30 20 DBED C=CCOCC(=O)N(CC)C1CN(C(=O)Cc2n[nH]c(C)n2)C1 1079490242 HAZXPAINRSBYRA-UHFFFAOYSA-N 321.381 -0.082 30 20 DBED CCC(=O)NCC(=O)N(CC)C1CN(C(=O)C#CC2CC2)C1 1079500541 WWLYGVVSHDFGMI-UHFFFAOYSA-N 305.378 -0.015 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cncnc2)C1 1081425199 OXSQRCYDVBPZGX-QWHCGFSZSA-N 304.350 -0.008 30 20 DBED CC(=O)NCC(=O)N1C[C@@H](O)[C@H](CNC(=O)C#CC(C)(C)C)C1 1081473871 LDJCXXSCFFTJOP-CHWSQXEVSA-N 323.393 -0.893 30 20 DBED CC[C@@H](C(N)=O)N1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@H](OC)C1 1081540777 RKECIENWLMDHKY-FRRDWIJNSA-N 319.365 -0.421 30 20 DBED C=CCN1C[C@@H](NC(=O)Cn2nc(C)ccc2=O)[C@H](OC)C1 1082336777 JMNZINGQFNSQSL-CHWSQXEVSA-N 306.366 -0.447 30 20 DBED C[C@H](C(=O)N1CCO[C@@H]2CN(CC#N)C[C@@H]21)c1ccnn1C 1083084473 RIWAHIFTDZTQAV-FPMFFAJLSA-N 303.366 -0.041 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCn3cncc3C2)C1 1083580037 NHUFBTPBFLCSAC-CFVMTHIKSA-N 302.378 -0.370 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)c2ccc(Cn3ccnn3)o2)C1 1083661818 NZVFXQLMDAFQFI-OLZOCXBDSA-N 317.349 -0.120 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN([C@H](C)COC)C[C@@H]2O)nc1 1083969804 VGXPTVVAOXEZEW-DFBGVHRSSA-N 303.362 -0.127 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCCS2(=O)=O)C1 1084076280 FEAUQKLTQBDZLY-FRRDWIJNSA-N 316.423 -0.309 30 20 DBED C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1cn(C)c(=O)n(C)c1=O 1085850230 RBMUWAIWACSOPA-GFCCVEGCSA-N 320.393 -0.194 30 20 DBED C=CCN[C@H]1C[C@H](CNC(=O)c2c[nH]nc2S(N)(=O)=O)C1 1086473934 DLPROSLSXHEKPZ-KYZUINATSA-N 313.383 -0.659 30 20 DBED CC#CCN1C[C@H]2CC[C@H]1[C@@H]1CN(C(=O)Cn3ncnn3)C[C@H]21 1087359413 VTVRGYQYOFROHI-TUVASFSCSA-N 314.393 -0.135 30 20 DBED CCNC(=O)CC(=O)N[C@@H](C)C[C@H](C)N=c1cc[nH]c(C#N)n1 1089281494 UBNMSFAYBSKRSX-QWRGUYRKSA-N 318.381 -0.008 30 20 DBED N#Cc1ccc(N2CCCO[C@H](CNC(=O)C(N)=O)C2)nc1 1089556837 MVLOVICGLJIUCJ-LLVKDONJSA-N 303.322 -0.850 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2CCN(CC(=O)NC)C[C@@H]2O)cc1 1090481310 AGLXFVQGBQQDAI-GJZGRUSLSA-N 315.373 -0.421 30 20 DBED N#CCN1CC[C@@H](NC(=O)CN2CCCCCC2=O)[C@@H](O)C1 1090791765 VUJHRTUPKPZHLZ-OLZOCXBDSA-N 308.382 -0.536 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2ncc3n2CCCC3)[C@H](O)C1 1090828939 VDGWRKUJNUSLIH-CHWSQXEVSA-N 303.366 -0.092 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CN(c2cc(Cl)c(O)nn2)C[C@@H]1O 1091098803 MBYNBDNBJFFVQF-MNOVXSKESA-N 322.752 -0.085 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1[C@@H]2CN(c3ncc(F)cn3)C[C@@H]21 1093265473 GHPWNMSTCIMQAO-YABSGUDNSA-N 317.324 -0.694 30 20 DBED N#Cc1ccc(NCCNC(=O)[C@@H]2CCCCN2C(N)=O)nn1 1093855940 IZLCQCMZPFGERO-NSHDSACASA-N 317.353 -0.190 30 20 DBED CC(C)N1CCO[C@@H](C(=O)NCCN=c2cc[nH]c(C#N)n2)C1 1094082734 CIALEAOPNAATKY-GFCCVEGCSA-N 318.381 -0.593 30 20 DBED C#CCN1CC(n2cc(CNC(=O)[C@H]3CCO[C@@H]3C)nn2)C1 1094330638 OCJLYXAKSSXOGK-RISCZKNCSA-N 303.366 -0.191 30 20 DBED Cc1cccnc1C(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1 1094717386 JFLSHGOIJASEAO-GFCCVEGCSA-N 313.361 -0.072 30 20 DBED C=CCCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C[C@@H]1NC(=O)NC1=O 1095554419 FVSGJYJLXZHXFF-RHYQMDGZSA-N 306.366 -0.118 30 20 DBED CCN(CCCNC(=O)[C@H]1C[C@H]1C(N)=O)c1ccc(C#N)nn1 1095971462 LIVUXGLISQHUKM-NEPJUHHUSA-N 316.365 -0.198 30 20 DBED C[C@@H](CC(N)=O)C(=O)N[C@H]1CCCN(c2cncc(C#N)n2)C1 1096218289 GIIAVEAQSGAKTM-QWRGUYRKSA-N 316.365 -0.055 30 20 DBED C[C@H](CNC(=O)C1(C(=O)N(C)C)CC1)N=c1cc[nH]c(C#N)n1 1098043169 WQXWDINBTQCKCZ-SNVBAGLBSA-N 316.365 -0.445 30 20 DBED C#CCCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H]1CN(C(C)=O)CCO1 1098308240 GNPYDSMTFXXATR-LVQVYYBASA-N 319.405 -0.022 30 20 DBED C=CCCN(CCO)C1CCN(C(=O)[C@H](C)NC(N)=O)CC1 1098351016 CPRBKMJSPPWUFU-LBPRGKRZSA-N 312.414 -0.095 30 20 DBED C#CCN(CCO)C1CCN(C(=O)c2c[nH]c(=O)cn2)CC1 1098462062 FLSMWLHITOMIJS-UHFFFAOYSA-N 304.350 -0.698 30 20 DBED N#Cc1nc(=NC[C@H]2CCN(C(=O)CCCC(N)=O)C2)cc[nH]1 1098536997 SEBGAZUKUJODQT-LLVKDONJSA-N 316.365 -0.314 30 20 DBED C#CCCN(CCO)C1CCN(C(=O)CCNC(N)=O)CC1 1098556096 GCXOAUBPJQRNCM-UHFFFAOYSA-N 310.398 -0.647 30 20 DBED Cn1cnc(C(=O)N[C@]23CCC[C@H]2CN(CC#N)C3)cc1=O 1098882876 TYUDAXQTKYFSPT-NHYWBVRUSA-N 301.350 -0.112 30 20 DBED COC(=O)NCC(=O)N[C@H]1CN(CC#N)CC2(CCOCC2)C1 1099566179 NMKLZSVEQVDWAV-GFCCVEGCSA-N 324.381 -0.147 30 20 DBED Cn1nnc(CN2CC[C@H](NC(=O)C#CC(C)(C)C)[C@H](O)C2)n1 1099829013 BVFNDKIDIVTJIW-NWDGAFQWSA-N 320.397 -0.689 30 20 DBED COCC#CCN1CC[C@H](NC(=O)C2(COC)CC2)[C@H](O)C1 1099920759 DSAWWQSGCNWMFT-UONOGXRCSA-N 310.394 -0.386 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2cc(F)c[nH]2)[C@@H](O)C1 1099922533 WMWACLQHXQECHA-JSGCOSHPSA-N 309.341 -0.031 30 20 DBED C=CCCN1CC[C@H](NC(=O)COCc2ncnn2C)[C@H](O)C1 1100057214 CXTWMLRHLDEOAY-QWHCGFSZSA-N 323.397 -0.541 30 20 DBED CNC(=O)CC(=O)NC[C@@H]1CCCN1c1cncc(C#N)n1 1100816127 OJNSFWGPQVQJSI-NSHDSACASA-N 302.338 -0.431 30 20 DBED C[C@H](NC(N)=O)C(=O)NC[C@H]1CCN(c2ccc(C#N)cn2)C1 1100968322 DMDQHHWVBRQEHW-CMPLNLGQSA-N 316.365 -0.047 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CCN(c2ccc3nnnn3n2)C1 1100978796 LLOATJJKWRZGGM-GFCCVEGCSA-N 311.349 -0.125 30 20 DBED N#Cc1ccc(N(CCNC(=O)[C@@H]2CNC(=O)N2)C2CC2)nn1 1101432829 MPELUARZMVKPJG-NSHDSACASA-N 315.337 -0.885 30 20 DBED C=CCCN1CC2(C[C@@H](NC(=O)CNC(N)=O)c3nccn32)C1 1101607167 IGONICNHJFHJDJ-LLVKDONJSA-N 318.381 -0.301 30 20 DBED CN(CCNc1ccc(C#N)nn1)C(=O)CCc1cnn[nH]1 1101960638 UXGDEPKQLFFRCS-UHFFFAOYSA-N 300.326 -0.031 30 20 DBED COCC#CCN1C[C@@H](C)[C@H](CNC(=O)[C@@]2(C)CNC(=O)C2)C1 1102179772 LFYBBNNZBHJFCM-CKEIUWERSA-N 321.421 -0.154 30 20 DBED CC[C@H](CNC(=O)[C@@H]1CCNC1=O)N=c1cc[nH]c(C#N)n1 1103259638 PGPVUHLAWWVYDH-NXEZZACHSA-N 302.338 -0.787 30 20 DBED CC[C@@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)Nc1nccnc1C#N 1103261803 UAHJVFBLNYVABE-ONGXEEELSA-N 317.353 -0.321 30 20 DBED CNC(=O)NCCC(=O)N(C)[C@H](C)CNc1cnc(C#N)cn1 1104547436 WONWENOSTLUDAT-SNVBAGLBSA-N 319.369 -0.074 30 20 DBED CC(C)[C@H](CNC(=O)c1cnnn1C)N=c1cc[nH]c(C#N)n1 1105166723 SRAZBHNKTPWKPA-JTQLQIEISA-N 314.353 -0.235 30 20 DBED CN1C[C@@H](C(=O)N(C)CCN(C)c2ccnc(C#N)n2)CC1=O 1105584680 LRAQSTWPKLYXJE-NSHDSACASA-N 316.365 -0.279 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H]1CCC[C@@H]1NC(=O)CC(N)=O 1105651348 KHDWDXDKLNBHGC-MFKMUULPSA-N 301.350 -0.053 30 20 DBED CSC[C@@H](C)C(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1 1105750283 JLTRYFUGKOINCV-NXEZZACHSA-N 309.395 -0.342 30 20 DBED Cc1c(C(=O)NC[C@H](O)CNc2ccc(C#N)nc2)nnn1C 1105761928 IRPAFQFNSRYASN-GFCCVEGCSA-N 315.337 -0.407 30 20 DBED N#Cc1nc(=NC[C@@H](O)CNC(=O)CC[C@@H]2CCOC2)cc[nH]1 1105786267 IGBCPPDANPMVEZ-VXGBXAGGSA-N 319.365 -0.524 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)C[C@H]2COC(=O)C2)nc1 1105819146 BHNKGMLSZIMCIX-NEPJUHHUSA-N 318.333 -0.205 30 20 DBED Cc1nc(NC[C@H](O)CNC(=O)Cn2nccn2)ccc1C#N 1105985133 IFTKWJHQSGHVBD-LBPRGKRZSA-N 315.337 -0.558 30 20 DBED Cc1ncn(C)c1C(=O)NC[C@@H](O)CNc1nccnc1C#N 1105998731 FKAZAIOGBREXDK-JTQLQIEISA-N 315.337 -0.407 30 20 DBED CNC(=O)CC(=O)NC/C=C/CNc1nc(C)cc(C#N)n1 1107166230 JJGVQQGJGUFLBH-ONEGZZNKSA-N 302.338 -0.123 30 20 DBED C[C@H](NC(N)=O)C(=O)NC/C=C/CNc1cnc(C#N)cn1 1107168378 GJIASXVJKFCXIV-HPOULIHZSA-N 303.326 -0.511 30 20 DBED N#Cc1cncc(NC/C=C\CNC(=O)[C@@H]2COC(=O)N2)n1 1107176381 XLGXCSGFQCKTSD-SYBPUXJVSA-N 302.294 -0.459 30 20 DBED CN1C[C@H](C(=O)NC/C=C\CNc2ccc(C#N)nn2)CC1=O 1107568327 FRDIYTFAAYRNRA-OTDNITJGSA-N 314.349 -0.089 30 20 DBED C#CCNC(=O)CN1CCO[C@@](C)(CNC(=O)[C@H](C)C#N)C1 1107821979 YVHDSWUPLWYGTM-DOMZBBRYSA-N 306.366 -0.897 30 20 DBED C=C(C)CN1CCO[C@@](C)(CNC(=O)Cn2cnnc2O)C1 1107884862 NFCNJHZRBUGBAB-AWEZNQCLSA-N 309.370 -0.233 30 20 DBED C=CCOCCN1CCO[C@@](C)(CNC(=O)c2cnnn2C)C1 1107910712 MYGJRZQLZWRIEN-HNNXBMFYSA-N 323.397 -0.162 30 20 DBED C=CCOCCN1CCO[C@@](C)(CNC(=O)Cn2cncn2)C1 1108383346 CFBPHKAQOFLAIX-HNNXBMFYSA-N 323.397 -0.312 30 20 DBED C[C@@H](CNc1nccnc1C#N)NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 1108706710 DUAVGTPDRBZWFP-INTQDDNPSA-N 318.337 -0.702 30 20 DBED C[C@@H](CN(C)c1cnc(C#N)cn1)NC(=O)[C@@H]1CCN(C)C1=O 1109182604 BZTHGRYIBYRLTJ-JQWIXIFHSA-N 316.365 -0.233 30 20 DBED CC(=O)NCC(=O)NC1(C)CCN(c2nccnc2C#N)CC1 1110567499 UVPGUFUEUUBPQD-UHFFFAOYSA-N 316.365 -0.041 30 20 DBED CO[C@@H](C)CC(=O)NC[C@@]1(O)CCN(c2cnc(C#N)cn2)C1 1111045465 LLXPPMIERVDVFF-NHYWBVRUSA-N 319.365 -0.169 30 20 DBED C#CCO[C@H](C)C(=O)N(C)[C@H]1CN(c2cnc(F)cn2)C[C@@H]1O 1111190914 YFXJBTAXKAKQFH-WOPDTQHZSA-N 322.340 -0.338 30 20 DBED CC[C@@H](C(=O)N(CCO)CCNc1cnc(C#N)cn1)N(C)C 1111492605 HMJBMVWJSDCTTD-ZDUSSCGKSA-N 320.397 -0.079 30 20 DBED CCCN(C)CC(=O)N(CCO)CCN=c1cc[nH]c(C#N)n1 1111492838 SDAJPAQDFOQUOP-UHFFFAOYSA-N 320.397 -0.655 30 20 DBED COCCC(=O)N[C@]12CCC[C@H]1CN(CC(=O)NCC#N)C2 1111557442 GQGFWZRHYRXCEW-WFASDCNBSA-N 308.382 -0.367 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CCN(c2ncccn2)C[C@H]1C 1112414881 NMRMXDSYWKVKQW-OLZOCXBDSA-N 315.377 -0.053 30 20 DBED CCOCC(=O)NC[C@H]1CN(c2ccncc2C#N)C[C@@H]1O 1112692710 QZDKHNIEKNKAMA-JSGCOSHPSA-N 304.350 -0.097 30 20 DBED CCCNC(=O)NC(=O)CN1CCN(C(=O)[C@H](C)C#N)CC1 1112711430 ADYNOLUONXONOT-LLVKDONJSA-N 309.370 -0.474 30 20 DBED CS(=O)(=O)CC(=O)NC1CC(CN=c2cc[nH]c(C#N)n2)C1 1112819355 RXKPZRCSVYXROU-UHFFFAOYSA-N 323.378 -0.879 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)[C@]2(F)CCOC2)CC1 1113257495 WSEHJTDPUAOEBW-WFASDCNBSA-N 311.357 -0.603 30 20 DBED CO[C@H](CC(C)C)C(=O)N1CCN(CC(=O)NCC#N)CC1 1113318519 XUMFGCOPEAQVNF-CYBMUJFWSA-N 310.398 -0.169 30 20 DBED C[C@H](CNC(=O)[C@@H]1CCNC(=O)C1)N(C)c1ccnc(C#N)n1 1113575498 WGWCWFQEKKCFED-GHMZBOCLSA-N 316.365 -0.185 30 20 DBED CNC(=O)C1(C(=O)NC[C@@H](C)N(C)c2ccnc(C#N)n2)CC1 1113660684 OWWSKGKDRFQNTE-SNVBAGLBSA-N 316.365 -0.185 30 20 DBED C#CCOCCC(=O)NC[C@@H](C)N(C)c1nccn2nnnc12 1113722705 DJVBXNWGWLVNNL-LLVKDONJSA-N 317.353 -0.500 30 20 DBED C[C@@H](CNC(=O)C(C)(C)C(N)=O)N(C)c1cnc(C#N)cn1 1113740891 AWLORMVDRXVTES-VIFPVBQESA-N 304.354 -0.199 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CCN(C)C1=O)N(C)c1cncc(C#N)n1 1113820601 QUSWBQIMZGXWEZ-JQWIXIFHSA-N 316.365 -0.233 30 20 DBED Cc1nc(N(C)[C@H](C)CNC(=O)[C@@H]2CNC(=O)N2)ccc1C#N 1113869802 SDILVEBQSFSECL-SKDRFNHKSA-N 316.365 -0.116 30 20 DBED C#CCO[C@H](C)C(=O)NC1[C@H]2CN(CC(=O)NC(C)(C)C)C[C@H]12 1114271182 QREHEDFXHDGXFY-AGIUHOORSA-N 321.421 -0.014 30 20 DBED N#Cc1nccc(N2C[C@@H]3C(CNC(=O)Cn4cncn4)[C@H]3C2)n1 1114549455 JVPQWQRGACAWLS-VXGBXAGGSA-N 324.348 -0.562 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)CCCC#CC)[C@H]2C1 1114710868 LGPAZHNGJOCBTL-KBPBESRZSA-N 301.390 -0.024 30 20 DBED C=C[C@H](CC)CC(=O)NC1[C@@H]2CN(CC(=O)NC(N)=O)C[C@@H]12 1114725942 DTUWWYAPJYGQLH-GMTAPVOTSA-N 308.382 -0.170 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)C[C@@H]3CCCOC3)[C@@H]2C1 1115247254 BHHZLBHUGMRXSN-BFHYXJOUSA-N 319.405 -0.401 30 20 DBED COCCCCC(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1 1121182814 FEZBIIQMXUHXKA-NSHDSACASA-N 307.354 -0.524 30 20 DBED C[C@H](NS(C)(=O)=O)C(=O)NC1CC2(CC(NCC#N)C2)C1 1121829779 YVKZAGVPLVFBGR-UZJKLBMHSA-N 314.411 -0.535 30 20 DBED C[C@@H]1CC[C@H](C(=O)NC[C@H](CO)Nc2nccnc2C#N)O1 1122659183 HWDUQRGOWLAUMW-CKYFFXLPSA-N 305.338 -0.195 30 20 DBED C[C@@H]1CC[C@H](C(=O)NC[C@H](CO)Nc2cncc(C#N)n2)O1 1122659417 NBTNBGDDRLJETJ-YUSALJHKSA-N 305.338 -0.195 30 20 DBED CN(C[C@@H](O)CNc1ccc(C#N)cn1)C(=O)CCNC(N)=O 1124369461 BODONEXOWXKTQG-NSHDSACASA-N 320.353 -0.757 30 20 DBED CCCN(C)CC(=O)N(C)C[C@@H](O)CNc1ccc(C#N)nn1 1124441811 LQAQKNJGVDHSKW-ZDUSSCGKSA-N 320.397 -0.079 30 20 DBED CN(C[C@H](O)CNc1cnc(C#N)cn1)C(=O)c1ncccn1 1124455661 PYJVBECFTHQFRH-LLVKDONJSA-N 313.321 -0.317 30 20 DBED C#Cc1cccc(NC(=O)CNCCNC(=O)CC(N)=O)c1 1125085570 ZVCHMAALUUJFDY-UHFFFAOYSA-N 302.334 -0.812 30 20 DBED O=C(C#CC1CC1)NCCNCc1cn(C[C@H]2CCOC2)nn1 1126881136 LSMHLJDANQWUSX-CQSZACIVSA-N 317.393 -0.066 30 20 DBED CC(=O)NCC(=O)N(C)CCOCCNc1ccc(C#N)nn1 1127150221 FCSIBNLRCWAWON-UHFFFAOYSA-N 320.353 -0.629 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CCn2ccnc2C1 1130484125 FTFYMDFQLHCPLI-QWHCGFSZSA-N 317.393 -0.711 30 20 DBED C[C@@H]1CC[C@H](NC(=O)CSCC#N)CN1Cc1nnnn1C 1131866112 UNFOZQDKUYSMDW-MNOVXSKESA-N 323.426 -0.064 30 20 DBED C#CCCN1C[C@@H](NC(=O)CCS(=O)(=O)NC)CC[C@@H]1C 1132039585 ZOXJFCRXMYAPKO-STQMWFEESA-N 315.439 -0.082 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1c(C)nn(C)c1C 1132060946 BQELCPQFDFVEPZ-NSHDSACASA-N 305.382 -0.506 30 20 DBED C#CCN1C[C@@H](NC(=O)CCc2nnc(O)nc2O)CC[C@H]1C 1132149315 HYZVOLJQAKEXOY-MNOVXSKESA-N 319.365 -0.182 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)C[C@H]1CCC(=O)N1C 1132261807 RWUXTAHHFQDTQQ-VXGBXAGGSA-N 310.398 -0.606 30 20 DBED C[C@@H](C[C@@H](C)NCC(=O)NCC#N)NC(=O)c1cnccn1 1133600180 RLROKUGHPFXGJH-MNOVXSKESA-N 304.354 -0.397 30 20 DBED Cc1cncn1CC(=O)N[C@@H](C)C[C@@H](C)NCC(=O)NCC#N 1135029639 PUSJHBZIGAXRBQ-NEPJUHHUSA-N 320.397 -0.296 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1nnn(C(C)C)c1C 1135987702 BLBQRRFGHVTDMC-LLVKDONJSA-N 320.397 -0.375 30 20 DBED COCC#CCNCCNC(=O)c1cc(Cn2cccn2)on1 1147143462 ZXZHDXQURCQREU-UHFFFAOYSA-N 317.349 -0.111 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)c1ccn(C)n1)C2 1148748568 ULPVRBWLIWICQY-UHFFFAOYSA-N 315.377 -0.683 30 20 DBED CN1CCc2ccc(C(=O)NCCNCC(=O)NCC#N)cc21 1149564931 QHLANZKSLMOSBH-UHFFFAOYSA-N 315.377 -0.362 30 20 DBED N#CCNC(=O)CNCCNC(=O)CCCN1CCCCC1 1151361682 NDQYXPDEJXATPA-UHFFFAOYSA-N 309.414 -0.402 30 20 DBED C#CCN(CC)[C@H](C)CNC(=O)c1nc(C)n(-c2nc[nH]n2)n1 1154533241 SHTILUFPIOXYLK-SNVBAGLBSA-N 316.369 -0.233 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)C2CN(C(C)=O)C2)C1=O 1157116889 SKNFHGJPWLPMIZ-CQSZACIVSA-N 322.409 -0.653 30 20 DBED CN(CC(=O)NC(N)=O)C[C@H]1CCCCN1C(=O)C#CC1CC1 1157924861 DTNMMFVOCXVIFE-CYBMUJFWSA-N 320.393 -0.092 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)c1cnnc(O)c1 1160504270 GNBKJEVBNLQICG-SNVBAGLBSA-N 307.354 -0.418 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)[C@@H]2[C@H]3COC[C@H]32)[C@H]1C 1179355254 DSJAVKDCHLYXNF-CTTWBBHYSA-N 319.405 -0.404 30 20 DBED C#CCNCCCCCCNC(=O)[C@H](C)NS(C)(=O)=O 1179686293 IGTWIJVLOWFBPY-LBPRGKRZSA-N 303.428 -0.177 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](NCc2nccc(C)n2)C1 1182134387 NSJCDVOCDMEBPO-CYBMUJFWSA-N 315.377 -0.385 30 20 DBED COCCC1(C(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)CC1 1183152636 ZRYKMHYBAOASDH-GFCCVEGCSA-N 308.382 -0.367 30 20 DBED CC#CCN[C@@H]1CCN(C(=O)Cc2ccc(C(N)=O)nc2)C1 1183629875 SKFAYPKDZHEKBC-CYBMUJFWSA-N 300.362 -0.063 30 20 DBED CN(CC(=O)NCC#N)[C@H]1CCN(C(=O)C[C@H]2CCCO2)C1 1189066517 GJTXQQLMMYDLGG-QWHCGFSZSA-N 308.382 -0.272 30 20 DBED N#CCSCC(=O)N[C@@H]1CN(Cc2nncs2)C[C@H]1O 1191149382 QNBHCAHBPNNMNP-RKDXNWHRSA-N 313.408 -0.544 30 20 DBED Cc1cc(C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@H]2O)co1 1192420175 MSQGGQQQSOMNML-VXGBXAGGSA-N 306.322 -0.997 30 20 DBED C=C[C@](C)(CC)C(=O)N[C@@H]1CN(Cc2nnnn2C)C[C@H]1O 1195932586 SJLJGFYBONIWII-JTNHKYCSSA-N 308.386 -0.526 30 20 DBED CCN(C)C(C)(C)C(=O)N1CCC(NCC(=O)NCC#N)CC1 1201321757 VLBDVQMUHGQWDF-UHFFFAOYSA-N 323.441 -0.063 30 20 DBED C#CCNC[C@@H]1CN(C(=O)[C@H]2CCCCN2C(N)=O)CCCO1 1201822500 BCMAHNYYXDXAPB-ZIAGYGMSSA-N 322.409 -0.240 30 20 DBED C#CCNC[C@@H]1CN(C(=O)C2(C(=O)N(C)C)CC2)CCCO1 1201834484 XHGRCXNKGGLTDX-CYBMUJFWSA-N 307.394 -0.305 30 20 DBED C#CCCNC1CCN(C(=O)[C@@H](C)NS(C)(=O)=O)CC1 1202667829 NNGBFRQFNAUGOD-LLVKDONJSA-N 301.412 -0.472 30 20 DBED C#CCNCC1CCN(C(=O)CN(C)S(C)(=O)=O)CC1 1205418857 ZUXQWEYXWMMJEW-UHFFFAOYSA-N 301.412 -0.661 30 20 DBED CC#CCNCC1CCN(C(=O)Cn2nc(C)n(C)c2=O)CC1 1206905692 JBIUMAPVTYYRET-UHFFFAOYSA-N 319.409 -0.258 30 20 DBED Cc1nc(O)[nH]c1C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1207656038 QSZLWHFSRMBQCD-PSASIEDQSA-N 320.353 -0.886 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCC[C@H](NC[C@@H](O)COC)C1 1208352877 RJMXPPMVOKQKGK-XHSDSOJGSA-N 323.437 -0.328 30 20 DBED COCC#CCN[C@H]1CCCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 1209623816 MVUMQCCTINBPLS-MELADBBJSA-N 323.393 -0.750 30 20 DBED C#CCN1C[C@@H](NC(=O)CCNC(=O)c2cnccn2)[C@H](C)C1 1211163231 HAQYBBNWSHMTBD-TZMCWYRMSA-N 315.377 -0.334 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)CC(C)(F)F)[C@H](OC)C1 1213392633 IHOYHUHJDPZNHE-GHMZBOCLSA-N 317.336 -0.404 30 20 DBED C#CCN1C[C@@H](NC(=O)CNC(=O)c2ccccc2)[C@H](OC)C1 1213763498 WLLZMOWGGOTCFC-HUUCEWRRSA-N 315.373 -0.135 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)CO[C@@H]2CCOC2)C[C@H]1C 1214613066 WHSTXZYNRYVYNL-RBSFLKMASA-N 310.394 -0.122 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)C(C)(F)F 1217179978 BKSKZJCIRQBJQC-WDEREUQCSA-N 315.320 -0.697 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(CCCCCC)C[C@@H]1O 1219492675 VTUPZKHVVUWCQE-KGLIPLIRSA-N 309.410 -0.133 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@H](CC(C)C)NC(C)=O)C1 1220809213 NWRRUCKKBVSRER-ZNMIVQPWSA-N 309.410 -0.278 30 20 DBED COCC#CCN1CC[C@@H]2CN(C(=O)[C@H]3CCC(=O)N3)[C@@H]2C1 1221434009 BWASYEAIVVDQLR-MGPQQGTHSA-N 305.378 -0.553 30 20 DBED C#CCN1CCS(=O)(=O)[C@H](CCNC(=O)c2cn(C)cn2)C1 1230444802 LCEYKGFNACZWPK-GFCCVEGCSA-N 324.406 -0.728 30 20 DBED CN(C[C@@H]1CCN1CC(=O)NCC#N)C(=O)c1ccncc1 1230578012 FNSXZRPCOSRKCM-ZDUSSCGKSA-N 301.350 -0.132 30 20 DBED CC(=O)CCCC(=O)N(C)C[C@@H]1CCN1CC(=O)NCC#N 1230759961 YOUQUHDJNXHVMH-ZDUSSCGKSA-N 308.382 -0.082 30 20 DBED CN(C[C@@H]1CCN1CC(=O)NCC#N)C(=O)C[C@@H]1COC(=O)C1 1233609993 CLOIEBOQICDKQG-RYUDHWBXSA-N 322.365 -0.888 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)NCCOC[C@H]2CCCO2)CCO1 1321976990 VWFPIMNDRVXFPS-NEPJUHHUSA-N 311.338 -0.951 30 20 DBED Cn1cnc2cc(NC(=O)C(=O)NCC(=O)NCC#N)ccc21 1323122896 XHQSHAJYCOVUDL-UHFFFAOYSA-N 314.305 -0.732 30 20 DBED CS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NCCCCC#N)C1 1323193138 LRKNWWATQIJHRH-SNVBAGLBSA-N 301.368 -0.558 30 20 DBED N#CCNC(=O)CNC(=O)C(=O)Nc1ccc2nccnc2c1 1323810690 WXVPDDAFWIXICK-UHFFFAOYSA-N 312.289 -0.676 30 20 DBED C=CCn1cc(CNC(=O)NC[C@H](O)c2cnn(C)c2)nn1 1325934585 XIYTVIWQOAKPSC-LBPRGKRZSA-N 305.342 -0.270 30 20 DBED C[C@H](O)[C@@H]1CCCN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)C1 1326215369 LRPQYRFCGJSLBP-YWPYICTPSA-N 309.366 -0.517 30 20 DBED CC[C@@]1(CO)CCCN1C(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1327024595 OGSXCETZSQEZHK-GJZGRUSLSA-N 309.366 -0.373 30 20 DBED C=CCN(C(=O)C(=O)N1CCCO[C@H](CN)C1)[C@H](C)COC 1327942366 YWHJNQUQFNLSFI-CHWSQXEVSA-N 313.398 -0.388 30 20 DBED C[C@H]1CN(C)C(=O)CN1C(=O)C(=O)N1CCC[C@@H](CC#N)C1 1328204017 NGJLCIVWLJUVMA-RYUDHWBXSA-N 306.366 -0.172 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N2C[C@H]3C[C@@]3(CO)C2)CCN1C1CC1 1329482312 DOEBFEVGQFUSTH-KFNAQCHYSA-N 318.377 -0.974 30 20 DBED C=C(C)COCCn1nnnc1N1CCCS(=O)(=O)CC1 1334276654 HZVSTBURPWTCAU-UHFFFAOYSA-N 315.399 -0.109 30 20 DBED C#C[C@H](NC(=O)C(=O)NC1CCN(C(C)=O)CC1)[C@@H]1CCCO1 1344867890 SXUPVPZOZYGDCO-KBPBESRZSA-N 321.377 -0.590 30 20 DBED COC(=O)[C@@H]1CN(C(=O)C(=O)N2CC[C@](F)(C#N)C2)C[C@H]1C 1345971251 DAMBXIVMABBMTB-RULNRJAQSA-N 311.313 -0.282 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N[C@@H](CC)CN1CCOCC1 1354913777 ADAKMDXHLRDLEM-HNNXBMFYSA-N 319.405 -0.302 30 20 DBED CCO[C@H]1COCC[C@H]1NC(=O)Cn1cc(C#N)c(O)nc1=O 1362331825 XEXIBWSNSUAUPV-MNOVXSKESA-N 322.321 -0.869 30 20 DBED CO[C@@H]1CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)[C@@H](C)C1 1362435995 SZVLSVDSWXGWCF-GXSJLCMTSA-N 306.322 -0.154 30 20 DBED CCN(CCNC(=O)CNC(=O)OC)C(=O)c1ccc(C#N)[nH]1 1373764250 KMXGIPZXCAHJLO-UHFFFAOYSA-N 321.337 -0.179 30 20 DBED CC[C@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)[C@H]1CCC(=O)N1 1388040353 LWMJICRUVSIKJR-GHMZBOCLSA-N 317.349 -0.210 30 20 DBED C[C@H](CNC(=O)[C@H](C)C#N)NC(=O)CCS(=O)(=O)N(C)C 1397589169 SVPPCJLFBVNBOD-NXEZZACHSA-N 318.399 -0.952 30 20 DBED Cc1ccnn1CC(=O)N(C)C[C@@H](O)CNC(=O)[C@H](C)C#N 1405603095 QJZLVJVXOHLGNV-PWSUYJOCSA-N 307.354 -0.713 30 20 DBED N#Cc1cn(CC(=O)N2CCO[C@@H]2C(F)(F)F)c(=O)nc1O 1413193979 MOPGKNVDJLSAIV-SECBINFHSA-N 318.211 -0.432 30 20 DBED CC(C)c1nnnn1CC(=O)NC[C@@H](C)N(C)C(=O)[C@@H](C)C#N 1426664654 LPJKZSOGVXTULD-WDEREUQCSA-N 321.385 -0.081 30 20 DBED C[C@H](NCCN(C)C(=O)c1cc(C#N)c[nH]1)c1nnnn1C 1481218004 JPRRSNJDOAGXHI-VIFPVBQESA-N 302.342 -0.167 30 20 DBED C[C@H](CN(C)Cc1nnnn1C)NC(=O)c1cc(C#N)c[nH]1 1483323013 DHNAEOARILYHJY-SECBINFHSA-N 302.342 -0.340 30 20 DBED COCCN(CCNC(=O)[C@H](C)C#N)C(=O)Cc1nnc(C)o1 1488543117 MPACOFLAMQTADQ-SNVBAGLBSA-N 323.353 -0.329 30 20 DBED C[C@H](C#N)C(=O)N1CCC(O)(CNCC(=O)N2CCCC2)CC1 1502858549 KKLHWNCAPUDAQN-CYBMUJFWSA-N 322.409 -0.288 30 20 DBED C[C@H](C#N)C(=O)N1CCCN(C(=O)CNC(=O)C2CC2)CC1 1523163659 UHKJLKGUSFBJQF-LLVKDONJSA-N 306.366 -0.267 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](C)CNC(=O)c1ccn(CCN(C)C)n1 1526630870 YIYINYITSMCOEC-NWDGAFQWSA-N 320.397 -0.161 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)N[C@]2(C(=O)O)C[C@H](O)C2)cc1 1571130373 BTQKPLHMTJYWAK-WGRBQBNCSA-N 317.301 -0.618 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1CC(NC(=O)CNC(=O)O)C1 1573311675 WHLPNJPDNPJVMW-WHXUTIOJSA-N 311.338 -0.697 30 20 DBED C#CCN(C(=O)NCC[C@@H]1CNCCS1(=O)=O)C(C)C 1574591116 ZBKQYUSQVSPIJL-GFCCVEGCSA-N 301.412 -0.184 30 20 DBED CNC[C@H](O)[C@H](C)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 1578640184 GDCDKGLMOOJVDU-JSGCOSHPSA-N 317.393 -0.182 30 20 DBED N#Cc1c[nH]c(=O)n(Cc2ccc(F)cc2-c2nn[nH]n2)c1=O 1581861015 FAYJMFCQIUCQQE-UHFFFAOYSA-N 313.252 -0.224 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](CCC(=O)O)C2)CCO1 1594606519 YSYNHLBLSVHCJE-NWDGAFQWSA-N 323.349 -0.159 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](N2C(=O)CNC2=O)C[C@H]1C(=O)O 1603700257 ONGHQIXACDWPNF-UWVGGRQHSA-N 307.306 -0.748 30 20 DBED N#Cc1csc(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)O)c1 1605626865 PTWBINQCMVFGET-MRVPVSSYSA-N 314.344 -0.056 30 20 DBED N#Cc1ccc(S(=O)(=O)NCCOCCO)c(C(=O)O)c1 1608211839 LILCWVKHXKZVKS-UHFFFAOYSA-N 314.319 -0.456 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1CCCN(CC(=O)NC)C1 1731354527 JHRFQRNKQDWMQN-ZIAGYGMSSA-N 324.425 -0.216 30 20 DBED C#CCN[C@@H](C)[C@@H]1CCCCN1C(=O)CN1CCOCC1=O 1752146509 MQDXXXDMALDQLV-KBPBESRZSA-N 307.394 -0.162 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2C[C@@H](NCC(=O)NC(N)=O)C2)cn1 1752773068 VAWMQEBGFYUCGF-TXEJJXNPSA-N 315.333 -0.892 30 20 DBED C=CCNC(=O)CNC[C@H]1CCN(C(=O)CN2CCCC2=O)C1 1752928335 AEIQPHLAEDICTN-CYBMUJFWSA-N 322.409 -0.651 30 20 DBED CN(CC(=O)NCC#N)[C@@H]1CCCN(C(=O)c2ncc[nH]2)C1 1752990798 ITALFTYIGIBNCN-LLVKDONJSA-N 304.354 -0.414 30 20 DBED C#CCNC(=O)CN[C@@H](CC)CNC(=O)c1cnn(C)c1C 1753467679 WYWQPZROEMVTFV-LBPRGKRZSA-N 305.382 -0.424 30 20 DBED C#CCCN1CCO[C@H](CNC(=O)[C@H](OC)c2cnn(C)c2)C1 1753651724 SOSYLEPWYZFHAJ-HUUCEWRRSA-N 320.393 -0.052 30 20 DBED CC(C)[C@H](CNC(=O)c1ccc(C#N)[nH]1)NCC(=O)NCC#N 1753827528 RIMKGARXRDFQRX-ZDUSSCGKSA-N 316.365 -0.130 30 20 DBED C#CCCNC[C@@H](O)CNC(=O)c1ccc2c(c1)nnn2C 1753915167 PYCMEUGRAGRTOQ-GFCCVEGCSA-N 301.350 -0.328 30 20 DBED N#CCNC(=O)CNC/C=C\CNC(=O)[C@@H]1C[C@H]2C=C[C@H]1O2 1754141768 KADAPBSCVXLLEL-CWBMQKTDSA-N 304.350 -0.768 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC[C@](C)(NC(=O)c2cn(C)nn2)C1 1754672987 RYARGOXZEAMTNM-ABAIWWIYSA-N 320.397 -0.300 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@]1(O)CCN(CCn2cncn2)C1 1754748473 JQFNRECESQKWAI-HUUCEWRRSA-N 323.397 -0.842 30 20 DBED C#CCCN1CC[C@@](O)(CNC(=O)c2cc(OCC)n[nH]2)C1 1754755765 YRHXENZICPMJJG-OAHLLOKOSA-N 306.366 -0.002 30 20 DBED C=CCC[C@H](C)N1CC(O)(CNC(=O)[C@@H]2CC(=O)N(C)C2)C1 1754768203 FHIGKASXZZDQBR-QWHCGFSZSA-N 309.410 -0.018 30 20 DBED CC#CCN[C@@H](C)[C@H]1CCN(C(=O)CN2C(=O)CCC2=O)C1 1754808281 ZWKINJOTIMRYEC-STQMWFEESA-N 305.378 -0.015 30 20 DBED C#CCCNC1CCN(CCNC(=O)c2cnnc(O)c2)CC1 1754849617 ZPUFSNYPCYZILR-UHFFFAOYSA-N 317.393 -0.011 30 20 DBED CC#CCN1CCC[C@](CO)(NC(=O)C[C@H]2CC(=O)NC2=O)C1 1754859837 DTLYYSAZKKJPPE-WBMJQRKESA-N 321.377 -0.994 30 20 DBED Cc1cc(C(=O)NC2CC(CNCC(=O)NCC#N)C2)ncn1 1755208130 GAJMZMFPWGJQGG-UHFFFAOYSA-N 316.365 -0.477 30 20 DBED C#CCNC(=O)CNCC1CC(NC(=O)c2coc(C)n2)C1 1755210534 STPCVRCWQCVFGP-UHFFFAOYSA-N 304.350 -0.170 30 20 DBED C=CCOCCN[C@H](C)[C@H](C)NC(=O)C1CC(=O)NC(=O)C1 1755257733 UUNOXXGVBILRTR-MNOVXSKESA-N 311.382 -0.275 30 20 DBED N#CCNC(=O)CNC[C@H]1C[C@H](NC(=O)c2nccs2)C1 1755479883 COOFVBKNXRCZCW-MGCOHNPYSA-N 307.379 -0.119 30 20 DBED C=CCN[C@@H]1C[C@@H](C)N(C(=O)CS(=O)(=O)CCOC)C1 1755680602 HRCOHRVZFYUKSX-VXGBXAGGSA-N 304.412 -0.187 30 20 DBED C#CCNC(=O)CN1CCC[C@@H](NC(=O)Cc2cnc[nH]2)[C@@H]1C 1755724171 UHCBHSSHLAJMOO-GXTWGEPZSA-N 317.393 -0.329 30 20 DBED CC#CCNC[C@H](O)CN(C)C(=O)[C@@]1(C)CCN(C(C)=O)C1 1755791451 LBCJBSJMDCUBLA-HOCLYGCPSA-N 309.410 -0.323 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H](C)N(C)C(=O)Cn1cncn1 1756027123 NEHBELVNDAWBDK-NWDGAFQWSA-N 307.354 -0.721 30 20 DBED C=CCOCC(=O)N(C)C1CCN(C(=O)[C@@H]2CCC(=O)N2)CC1 1756362633 ZOVOLZOQBXFKRU-ZDUSSCGKSA-N 323.393 -0.083 30 20 DBED C=CCOCC(=O)NC[C@@H](CO)NC(=O)c1ccncc1F 1756517279 FHUJLRPVOCHYLZ-JTQLQIEISA-N 311.313 -0.370 30 20 DBED C#CCCCC(=O)NCC1(CCNC(=O)[C@H]2CNC(=O)N2)CC1 1756899611 YSKWKTWFWFPHPT-GFCCVEGCSA-N 320.393 -0.126 30 20 DBED C=CCOCC(=O)N[C@H]1C[C@@H](CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 1757332393 GGZJPONLOLYRMC-KXNHARMFSA-N 309.366 -0.679 30 20 DBED CNC(=O)CNC(=S)NN=Cc1csc(C(=O)O)c1 1776042449 PCDBORZLHSGOBL-UHFFFAOYSA-N 300.365 -0.010 30 20 DBED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CCCN(C)C3)C2)C1 1781004040 VFZPSSDHWARXGV-YOEHRIQHSA-N 319.405 -0.209 30 20 DBED C[C@]1(C(=O)N2CC[C@]3(CN(C(=O)CC#N)CCO3)C2)CCCN1 1781139810 XOTOLGKNNWTSRL-CVEARBPZSA-N 320.393 -0.128 30 20 DBED N#CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ncc[nH]3)C[C@@H]21 1786364725 QBQGTZKIJQWCGW-SRVKXCTJSA-N 317.349 -0.083 30 20 DBED CN1C(=O)C(/C(N)=N/OCC(=O)NC2CC2)=C(N)C12CCCC2 54390611 WHXJVSZAIKPWNP-UHFFFAOYSA-N 321.381 -0.449 30 20 DBED C/N=C(/NCC(=O)N(C)C)N[C@H]1CCN(c2ccccn2)C1 262303836 OFBJUJPFUWXBKM-LBPRGKRZSA-N 304.398 -0.087 30 20 DBED N#Cc1ncccc1S(=O)(=O)NCC(=O)NCC(F)F 280860966 DMVZZSUCEAQJKM-UHFFFAOYSA-N 304.278 -0.387 30 20 DBED C=CCNC(=O)[C@H](C)N1CCC(NS(=O)(=O)NC)CC1 281081743 UQCGEOGNTYYEKF-JTQLQIEISA-N 304.416 -0.805 30 20 DBED C=CCN1CC[C@@H](N(C)S(=O)(=O)N2CCOCC2)C1=O 281700948 ZPFNYBYJRUVGNI-LLVKDONJSA-N 303.384 -0.718 30 20 DBED CO/N=C/C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 289692937 NFPUHISHTOFRFB-WOJGMQOQSA-N 320.353 -0.736 30 20 DBED CN(/C(O)=N/CCN1CCOCC1(C)C)[C@@H]1COC[C@H]1O 329410347 CYCIIDHUFLQWSB-VXGBXAGGSA-N 301.387 -0.297 30 20 DBED CN1CCO[C@@H]2CN(/C(O)=N/C[C@@H]3CCCS3(=O)=O)C[C@H]21 330069632 HJXBEJVOCHVXLY-QJPTWQEYSA-N 317.411 -0.508 30 20 DBED CCC(=O)N[C@@H]1CCCN(/C(O)=N/CCNS(C)(=O)=O)C1 330472361 YISAGLCMAONYPM-SNVBAGLBSA-N 320.415 -0.560 30 20 DBED CCS(=O)(=O)NCCS(=O)(=O)N[C@H]1CCC[C@H]1C#N 331353144 XVQNTYWRSMMBFN-UWVGGRQHSA-N 309.413 -0.463 30 20 DBED N#Cc1ccc(NCC(=O)NCc2nnnn2CC2CC2)nc1 354279324 AAKGZVYKPAFONR-UHFFFAOYSA-N 312.337 0.078 30 20 DBED CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N(C)CCC#N 360097096 IKMIPZCEYNFGJJ-UHFFFAOYSA-N 318.399 -0.807 30 20 DBED C=CCOC[C@H](NC(=O)[C@@H]1CCCCS1(=O)=O)C(=O)OC 360723736 WDFXIGHDWRMPJK-QWRGUYRKSA-N 319.379 -0.186 30 20 DBED CS(=O)(=O)NCCN(CC(=O)NC1(C#N)CCC1)C1CC1 361382990 YUKFVWSADBQAED-UHFFFAOYSA-N 314.411 -0.438 30 20 DBED N#C[C@H]1COCCN1C(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O 408231402 HTYAKSDBFMJYFT-SDDRHHMPSA-N 305.334 -0.087 30 20 DBED COCCN(C)CCN1C[C@H](NC(=O)CCCC#N)CC1=O 425316763 MBYLUSQODSZRBE-CYBMUJFWSA-N 310.398 -0.024 30 20 DBED C[C@@H]1CCN(C(=O)C(=O)Nc2ccn(CCC#N)n2)[C@H]1CO 443819851 ZCRGPUVAFAKJKM-MNOVXSKESA-N 305.338 -0.035 30 20 DBED C#CCN(C)CCCNC(=O)CS[C@@H]1CCS(=O)(=O)C1 491695171 NTAPUAYIMLULRI-GFCCVEGCSA-N 318.464 -0.022 30 20 DBED C#CCNC(=O)C1CCN([C@H](C)C(=O)NC(=O)NC2CC2)CC1 491758577 IGQRNKQQZDUBIA-LLVKDONJSA-N 320.393 -0.176 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2cnn(C(C)C)c2)CC1 491772737 RDDVJTJMMXXMSF-UHFFFAOYSA-N 317.393 -0.029 30 20 DBED CNS(=O)(=O)N1CCN(C(=O)c2ccc(C#N)c(O)c2)CC1 514608086 ILTPIJPIYJZGMA-UHFFFAOYSA-N 324.362 -0.514 30 20 DBED CN(CCC#N)C(=O)CCN1[C@H]2C[C@H]3[C@H]([C@@H]2O)[C@@H]2C[C@H]3[C@@H](O)[C@@H]21 582549539 FGNSNJYFPIWANF-LIUWOJGHSA-N 319.405 -0.191 30 20 DBED CN1CCN(c2cc(N3CC[C@](O)(CC#N)C3)ncn2)CC1=O 591975714 QXHCVPAGLPDEDU-OAHLLOKOSA-N 316.365 -0.390 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCc2cc(C)[nH]n2)C1=O 603488006 MLKGWIBUDKYJBV-UHFFFAOYSA-N 305.294 -0.689 30 20 DBED N#Cc1ccc(N2CCC[C@H]2C(=O)NCCS(N)(=O)=O)cc1 609112662 PJVMCKJCLZGGRI-ZDUSSCGKSA-N 322.390 -0.068 30 20 DBED C=CCCn1cc(CN(C)C[C@H](O)CN2CCOCC2)nn1 653567131 SNSXZVUBUSKYMS-HNNXBMFYSA-N 309.414 -0.021 30 20 DBED C#C[C@@H](NC(=O)N1CCN(S(C)(=O)=O)CC1)[C@H]1CCCO1 773563111 VOFCDANUYLYVQG-VXGBXAGGSA-N 315.395 -0.546 30 20 DBED C#CCCN1CCN(S(=O)(=O)N2CCOC(C)(C)C2)CC1 776858681 XGFXHDYKMCYOJE-UHFFFAOYSA-N 315.439 -0.017 30 20 DBED CNS(=O)(=O)CCC(=O)OCC(=O)NC1(C#N)CCC1 784246724 NVSAUKHSZUNJJO-UHFFFAOYSA-N 303.340 -0.969 30 20 DBED N#Cc1ncn(CCNC(=O)N2CCC(C3OCCO3)CC2)n1 807513428 NLSUVWKGOJXEKS-UHFFFAOYSA-N 320.353 -0.056 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCC[C@H]([C@@H](C)O)C1)[C@H]1CCCO1 809305804 JUWWYRZYUVUIBH-ZOBORPQBSA-N 308.378 -0.097 30 20 DBED C#CC[C@H](CO)NC(=O)CNC(=O)c1ccc2c(c1)OCO2 816673869 KMZUEXCWOIBGHW-LLVKDONJSA-N 304.302 -0.355 30 20 DBED O=C(Cc1cccc(F)c1)NCC(=O)N[C@@H]1CCCN(O)C1=O 816755660 GFIAMTYSRNEFLE-GFCCVEGCSA-N 323.324 -0.019 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)NCC[S@](=O)CC 828078677 FWXYUGYTGNYLFD-HXUWFJFHSA-N 302.396 -0.631 30 20 DBED C=CCN(C(=O)C(=O)N[C@H]1CS(=O)(=O)C[C@@H]1OC)C(C)C 829929260 LLULDUBMZHPAPJ-QWRGUYRKSA-N 318.395 -0.662 30 20 DBED C#CCCS(=O)(=O)N1CCN(S(=O)(=O)NC(C)C)CC1 831791825 QQSKXWYLTRXQNI-UHFFFAOYSA-N 323.440 -0.800 30 20 DBED CCCCS(=O)(=O)NCC(=O)N[C@H]1CCCN(O)C1=O 848135524 NXWVLDDNMPDMHR-VIFPVBQESA-N 307.372 -0.798 30 20 DBED N#CCCNC(=O)CN1CCC(NC(=O)N2CCOCC2)CC1 852193652 UXTIUSLQYLEQLB-UHFFFAOYSA-N 323.397 -0.478 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)CCC2(O)CCC2)CC1 865178138 SLXPZWQPKLYMMW-UHFFFAOYSA-N 321.421 -0.035 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC[C@H]2CCN2C)C1=O 931886256 SVJZCYWBVUVZCU-VXGBXAGGSA-N 308.382 -0.948 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCN(C(=O)[C@@H]3CCCO3)C2)nn1 937969577 MGCWSUNXFQPHLT-AAEUAGOBSA-N 319.365 -0.026 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1CCN(C(=O)C(N)=O)C1 939383052 HACQBJZXYBZUIM-SRVKXCTJSA-N 309.366 -0.488 30 20 DBED COc1cnc(C(=O)N[C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)nc1 941811867 MXGJGLBGMFAUPV-VHSXEESVSA-N 303.322 -0.024 30 20 DBED C[C@H]1CN(C(=O)C(N)=O)CC[C@@H]1NC(=O)c1c[nH]c(C#N)c1 945485157 QZUGNGDVRYFMJW-KWQFWETISA-N 303.322 -0.662 30 20 DBED C=CCCn1cc(C(=O)N[C@H]2[C@H]3C[C@H]2N(C(=O)COC)C3)nn1 947246066 YGHGDZNLJPQLPI-SUHUHFCYSA-N 319.365 -0.170 30 20 DBED C#CCN1CCC[C@H](N(C)C(=O)Cn2ncn(C)c2=O)CC1 948567724 WBLXOWNIAIBTJU-ZDUSSCGKSA-N 305.382 -0.472 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)[C@H]1CCCNC1=O)CCO2 949118318 OWUXTBDWUKQMFH-AWEZNQCLSA-N 319.405 -0.161 30 20 DBED Cn1ncc(C(=O)N2CCC3(CC2)CN(CC#N)CCO3)c1N 949348442 BYFLXSVXLDZREX-UHFFFAOYSA-N 318.381 -0.167 30 20 DBED C#CCCN1CCOC2(CCN(C(=O)Cn3cncn3)CC2)C1 949523061 FJZJSGXVLIRVTP-UHFFFAOYSA-N 317.393 -0.005 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)CC(N)=O)C1 950258847 XQTOPQSZOGRMFJ-XQQFMLRXSA-N 323.393 -0.050 30 20 DBED O=C1N[C@@H](C(=O)N[C@@H]2CCCN(C(=O)C#CC3CC3)C2)CO1 950760154 YUEFCXYKTOWILK-VXGBXAGGSA-N 305.334 -0.385 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]1CNC(=O)c1ccc(C(N)=O)cn1 950811784 YQZPAMXLTCBJOF-GXSJLCMTSA-N 315.333 -0.329 30 20 DBED CN1CC[C@@H](C(=O)N[C@@]2(C)CCN(C(=O)C#CC3CC3)C2)C1=O 957352540 CKMOQXCUMFOIQR-GUYCJALGSA-N 317.389 -0.015 30 20 DBED CC#CCN1C[C@@H](O)[C@H](CNC(=O)c2cn3c(n2)CCC3)C1 958081485 OZBRQJDNEGJXAW-TZMCWYRMSA-N 302.378 -0.125 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](CNC(=O)c2cc(=O)c(OC)c[nH]2)C1 958261768 AOZVSYJHIIXKTH-RISCZKNCSA-N 321.377 -0.018 30 20 DBED CN(C)C(=O)CN1C[C@H]2[C@H](NC(=O)c3c[nH]c(C#N)c3)[C@H]2C1 958619050 ZJAZMIQUZFTDRA-IMRBUKKESA-N 301.350 -0.365 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cc2cscn2)C1 958848949 WLRMVDBWJMMFPM-DLOVCJGASA-N 322.390 -0.125 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1[C@@H]2CN(Cc3cnon3)C[C@@H]21 960347650 PPUYFXVLSXXEGN-LJISPDSOSA-N 315.377 -0.286 30 20 DBED C=CCn1cc(C(=O)N[C@H]2[C@@H]3CN([C@@H](CC)C(N)=O)C[C@@H]32)nn1 961996722 YQBXHCHSFFEZQA-JULQROHOSA-N 318.381 -0.612 30 20 DBED C#CCCN1C[C@@H]2C(NC(=O)c3ccc(=O)n(CC)n3)[C@H]2C1 962074715 NYJVJSWNFCTOLB-RYUDHWBXSA-N 300.362 -0.054 30 20 DBED CC#CCN1C[C@H]2C(NC(=O)[C@H]3COCCN3C(C)=O)[C@@H]2C1 962620128 VOKJALQGVINEJN-MGPQQGTHSA-N 305.378 -0.697 30 20 DBED C=CCn1cc(C(=O)N2CC3(CC[C@@H](CNC(C)=O)O3)C2)nn1 965506624 BWFFOGLXVLPGTD-LBPRGKRZSA-N 319.365 -0.026 30 20 DBED C[C@H](C#N)C(=O)N1CC2(C[C@@H](NC(=O)c3csnn3)CO2)C1 965746873 BVSGAIPJPBYUSO-RKDXNWHRSA-N 321.362 -0.203 30 20 DBED C#Cc1cncc(C(=O)N[C@H]2[C@@H]3CN(C(=O)c4nc[nH]n4)C[C@@H]32)c1 977155507 BEEVXQHYEOYZRS-ITGUQSILSA-N 322.328 -0.319 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCN(C(=O)C(N)=O)CC2)C[C@H]1C 982263843 KLIUDNHFPLKZAW-GHMZBOCLSA-N 306.366 -0.139 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H](N(C)C(=O)Cn2ncnn2)C1 984584226 GNSBBZRBMRCMID-MNOVXSKESA-N 305.342 -0.718 30 20 DBED C=CCN1CC[C@H](N(C)C2CCN(C(=O)C(N)=O)CC2)C1=O 985612847 KBGXOORRSPYNMG-LBPRGKRZSA-N 308.382 -0.819 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CN(C(=O)Cn3ncnn3)C[C@@]2(C)C1 993354417 RPYWOCQNKIHVAF-WDMOLILDSA-N 317.353 -0.860 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2OCC[C@H]2C)C1 994756923 ZJWCRZCSWSDRJK-SNPRPXQTSA-N 319.405 -0.164 30 20 DBED C#CCN1CCC(C(=O)N2CC(NC(=O)c3cnn[nH]3)C2)CC1 995179071 PLSDHKVXTFOLGO-UHFFFAOYSA-N 316.365 -0.910 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(CNC(=O)c2cnnn2C)C1 1001672930 FYPLOSMTAZMVQM-YPMHNXCESA-N 319.365 -0.406 30 20 DBED C[C@H](NC(=O)c1cnn[nH]1)C1CN(C(=O)c2cc(C#N)c[nH]2)C1 1006398546 IURDRXHXKPWBHP-QMMMGPOBSA-N 313.321 -0.105 30 20 DBED C[C@H](NC(=O)[C@H]1C[C@H]1C(N)=O)C1CN(C(=O)C#CC2CC2)C1 1006894583 WPKMWBVYQXRKQX-BIMULSAOSA-N 303.362 -0.516 30 20 DBED C[C@H](C(=O)N1CCN(C(=O)C#CC2CC2)CC1)S(C)(=O)=O 1011107954 WKFXRXCKPCYNSV-LLVKDONJSA-N 312.391 -0.496 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 1015865126 QLRMKIDZFWWSPH-LLVKDONJSA-N 316.365 -0.162 30 20 DBED N#CCN1CCC2(CC1)C[C@@H]2NC(=O)c1nccnc1C(N)=O 1016966041 VCRRSAFPWKIZFZ-JTQLQIEISA-N 314.349 -0.317 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H](N[C@@H](CC)C(N)=O)C1 1020250539 HUESTCKVDLCTEU-XUXIUFHCSA-N 306.410 -0.415 30 20 DBED C=CCn1cc(C(=O)N[C@H]2C[C@@H](NCc3ncnn3C)C2)nn1 1022824688 LUJPMWSVFINXDU-PHIMTYICSA-N 316.369 -0.357 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2C[C@@H](NCc3nnn(C)n3)C2)nc1 1022990753 FUCDHQDMMFBSGQ-TXEJJXNPSA-N 311.349 -0.363 30 20 DBED Cc1nn(C)cc1CC(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1O 1024245833 YZDPDEWWUBTZGH-ZWKOPEQDSA-N 319.365 -0.881 30 20 DBED C=CCn1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3C)C2)nn1 1025018955 HNCRMZWEKHUFCB-PRULPYPASA-N 319.365 -0.578 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)[C@H]3CCCN3C)C2)C1=O 1030161418 MAXOCZAOGQFMCS-ZIAGYGMSSA-N 306.410 -0.332 30 20 DBED C=CCN1C[C@@H]2C[C@H]1CN2C(=O)Cn1ncn2nccc2c1=O 1032660566 FHWYUHFIFOXPSR-RYUDHWBXSA-N 314.349 -0.638 30 20 DBED CN(C(=O)[C@@H]1Cc2cncn2C(=O)N1)[C@@H]1CCN(CC#N)C1 1033285399 JDTJHTFUOSHFMQ-PWSUYJOCSA-N 302.338 -0.578 30 20 DBED N#CCN1CC[C@H]1CNC(=O)c1ccc(OCC(N)=O)cc1 1038485862 REGRGVXTXUYOIH-LBPRGKRZSA-N 302.334 -0.122 30 20 DBED Cc1c[nH]nc1C(=O)NC[C@@]1(O)CCN(C(=O)C#CC2CC2)C1 1039674924 VGBZOXOLJHTGRN-INIZCTEOSA-N 316.361 -0.175 30 20 DBED O=C(C#CC1CC1)NC[C@@]1(O)CCN(C(=O)C#CC2CC2)C1 1039680969 RCSSPAWGZWXXDH-KRWDZBQOSA-N 300.358 -0.107 30 20 DBED C#CCOCCC(=O)NC[C@]1(O)CCN(C(=O)CCOC)C1 1039719019 LPKZKLDDAAXJLC-OAHLLOKOSA-N 312.366 -0.858 30 20 DBED C=CCCC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2CCC(=O)N2C)C1 1040592797 BNOOUXVAYHWZSM-LRDDRELGSA-N 323.393 -0.347 30 20 DBED C=C1CC(C)(C(=O)N2CC(O)(CNC(=O)C3=COCCO3)C2)C1 1041328903 VKKCQXMCUJMKDY-UHFFFAOYSA-N 322.361 -0.080 30 20 DBED N#Cc1nc(=N[C@@H]2C[C@H]3CC[C@H]2N(C(=O)C(N)=O)C3)cc[nH]1 1041679038 PVRFUSTURGNPDA-OPRDCNLKSA-N 300.322 -0.953 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)CN2CCCC2=O)C1 1041951594 CMEVAPHEFRXTTA-UHFFFAOYSA-N 309.366 -0.736 30 20 DBED C=CCN1CC[C@H]2CCN(C(=O)CN3CCNC(=O)C3)C[C@@H]21 1042182978 HPRVTAYIBBGWIE-KBPBESRZSA-N 306.410 -0.473 30 20 DBED C=CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)CC(C)(C)O)C1 1042834348 UCCATENOWYZEKL-LLVKDONJSA-N 314.382 -0.572 30 20 DBED CC(C)[C@@H](O)C(=O)NCC1(O)CN(C(=O)c2ccc(C#N)[nH]2)C1 1042877758 UUGPKRHISBKIKZ-GFCCVEGCSA-N 320.349 -0.794 30 20 DBED C=CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2nocc2C)C1 1043571106 MHJLOVFTOIJMFF-NSHDSACASA-N 323.349 -0.123 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)c2nonc2C)C1 1043720645 XLSRXDRHMQXBJP-UHFFFAOYSA-N 308.338 -0.107 30 20 DBED C=CCCCC(=O)NCC1(O)CN(C(=O)CCn2cnnn2)C1 1045455209 NWQIHGYHHQRLCY-UHFFFAOYSA-N 322.369 -0.891 30 20 DBED N#CCN1CC[C@H](N2CCN(C(=O)C[C@@H]3CCC(=O)N3)CC2)C1 1046070308 RQSOYUXKDSDESC-KBPBESRZSA-N 319.409 -0.603 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)CN2CCC[C@H]2C)C1 1046664536 IATZSJVSCSZSAL-NWDGAFQWSA-N 308.382 -0.680 30 20 DBED N#CCN1C[C@H]2C[C@H](NC(=O)CN3CCOCC3=O)C[C@H]1C2 1047090280 ZIDAGDGEKZPFDV-RWMBFGLXSA-N 306.366 -0.662 30 20 DBED C#CCCN1C[C@H]2C[C@@H](NC(=O)Cn3ncn(C)c3=O)C[C@H]1C2 1047096906 HMVMKYNYVVLSNN-BFHYXJOUSA-N 317.393 -0.426 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1047468277 AFVSUGBIKKYJDO-YYFQZIEXSA-N 310.394 -0.273 30 20 DBED COc1cc(CC(=O)N(C)[C@H]2CN(CC#N)C[C@@H]2O)ccn1 1047529027 NOPXQGDXWWQCOB-STQMWFEESA-N 304.350 -0.340 30 20 DBED CN(C(=O)c1cnn(CC2CC2)c1)[C@H]1CN(CC#N)C[C@@H]1O 1047588087 HAAACGRMHCVFPN-KBPBESRZSA-N 303.366 -0.066 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CN(C)C(C)=O)C1 1048310089 SKOLSVFCGWYSRI-STQMWFEESA-N 311.382 -0.539 30 20 DBED C=CCN1C[C@H]2CN(C(=O)c3nccnc3C(N)=O)C[C@H]2C1 1049206940 MSAYSDXYYFYFEC-PHIMTYICSA-N 301.350 -0.235 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)Cc2ccnn2C)C[C@@H]1O 1049395277 RVXRZEJFSZJSQU-WXHSDQCUSA-N 319.365 -0.848 30 20 DBED N#CCN1CCOC[C@@H]1CNC(=O)[C@H]1CCc2nn[nH]c2C1 1051210510 WRDAMVCDZNVJFK-QWRGUYRKSA-N 304.354 -0.750 30 20 DBED C[C@@]1(C(=O)N2CC[C@@H](N3CCN(CC#N)CC3)C2)CCNC1=O 1052082721 VUTCXPYKFMOKGB-CZUORRHYSA-N 319.409 -0.745 30 20 DBED C#CCN1CC2(CC[C@H](CNC(=O)c3cc4n(n3)CCO4)O2)C1 1053610256 KOHVXTRRRGCBMR-GFCCVEGCSA-N 316.361 -0.128 30 20 DBED CC#CCN1CC2(CC[C@@H](CNC(=O)[C@@H]3CCC(=O)N3C)O2)C1 1053647562 YLOGEOVSHIAUOC-KBPBESRZSA-N 319.405 -0.020 30 20 DBED C=CCN1CC2(C[C@H](NC(=O)c3nnc(O)nc3O)CO2)C1 1053858404 FYHSGXWUDPIUOL-QMMMGPOBSA-N 307.310 -0.958 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)c3c(C)ncnc3O)CO2)C1 1053902179 WJVDTGBKXMDOMJ-NSHDSACASA-N 302.334 -0.303 30 20 DBED C[C@@H]1CN(C(=O)CN2CCCCS2(=O)=O)C[C@H]1NCC#N 1054912361 RUZIZNBNLDRSAI-VXGBXAGGSA-N 314.411 -0.628 30 20 DBED N#Cc1cccnc1N1C[C@H]2[C@H](NC(=O)[C@H]3CNC(=O)N3)[C@H]2C1 1056393018 QHRMUUDUSMYGKT-KXNHARMFSA-N 312.333 -0.815 30 20 DBED N#Cc1cncc(N[C@@H]2CCN(C(=O)C[C@@H]3CCNC3=O)C2)n1 1056716586 YDCCENXXZUUSFO-WDEREUQCSA-N 314.349 -0.113 30 20 DBED CN(c1cncc(C#N)n1)[C@@H]1CCN(C(=O)c2cnnn2C)C1 1056908763 UAQJCQFKSDFYJD-LLVKDONJSA-N 312.337 -0.172 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)c1cnn(CC)n1 1057170888 FSYGCMOOMPANEZ-UHFFFAOYSA-N 309.370 -0.185 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)[C@@H]1CCCN1C 1057193412 GFOITBWEXNFNMD-ZDUSSCGKSA-N 313.398 -0.780 30 20 DBED CN1CC[C@H](CC(=O)NCCN(CCO)C(=O)C#CC2CC2)C1 1057533030 GVKQKPBODZNCFJ-OAHLLOKOSA-N 321.421 -0.321 30 20 DBED C=CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)[C@H]1CCCO1 1057921159 AZLHQSRZBPVPQR-QWHCGFSZSA-N 314.382 -0.306 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(CCO)CCNC(=O)/C(C)=C/C 1057961275 PBWDNQKAWITSOM-JVDKPVQESA-N 321.421 -0.013 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)COCC(F)F 1058143676 GWEUXEYXRXIWKK-UHFFFAOYSA-N 324.324 -0.592 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)CCCCC(N)=O 1058657399 YMYTZDSGIUXGCC-NSHDSACASA-N 312.370 -0.871 30 20 DBED CCc1nc(C#N)cc(N(C)[C@H]2CCCN(C(=O)C(N)=O)C2)n1 1061259843 TVPMLQVMNPYBDH-NSHDSACASA-N 316.365 -0.177 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1COCCN1C(=O)c1cnn(C)n1 1061565941 BYPPLWIEZDYSSK-GFCCVEGCSA-N 319.365 -0.568 30 20 DBED CC(C)C#CC(=O)NC[C@H]1COCCN1C(=O)Cc1cnc[nH]1 1061568423 IREMLTUTDIAOJF-AWEZNQCLSA-N 318.377 -0.045 30 20 DBED COc1cc(C(=O)N2CCOC[C@@H]2CNC(=O)[C@@H](C)C#N)on1 1061849154 ZXYKPWGGMODRAY-UWVGGRQHSA-N 322.321 -0.200 30 20 DBED N#Cc1nccnc1N1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1COCCO1 1062449668 XMBJGNXIXPDBGI-GMXVVIOVSA-N 315.333 -0.447 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(NC(=O)[C@H]2C[C@H]2C(N)=O)CCC1 1062865602 DNLWIBLEPIYEHG-JRPNMDOOSA-N 323.393 -0.410 30 20 DBED CCS(=O)(=O)CC(=O)NC1(CNC(=O)[C@@H](C)C#N)CCC1 1064308397 GJTRVSRSMQSHKT-JTQLQIEISA-N 315.395 -0.264 30 20 DBED N#Cc1nccnc1N1C[C@H]2C[C@H](NC(=O)C(N)=O)CC[C@H]2C1 1068264475 DQCLFYIDPZSRDQ-HBNTYKKESA-N 314.349 -0.445 30 20 DBED CN(c1ccc(C#N)nn1)C1CCN(C(=O)CC(N)=O)CC1 1068659019 UAZWALZDRAPIEZ-UHFFFAOYSA-N 302.338 -0.349 30 20 DBED O=C(C#CC1CC1)N[C@@H]1COC2(C1)CN(C(=O)c1cn[nH]c1)C2 1068860428 KIBMSBGBFXPXNN-ZDUSSCGKSA-N 314.345 -0.077 30 20 DBED C=CCC1(C(=O)N2CC3(C[C@@H](NC(=O)C(N)=O)CO3)C2)CCC1 1068992597 LUXRMCLBTMNAIS-LLVKDONJSA-N 321.377 -0.296 30 20 DBED CCC1(NC(=O)[C@@H](C)C#N)CCN(C(=O)[C@H]2CNC(=O)N2)CC1 1069572654 AJLOWOJWKYQQKF-WDEREUQCSA-N 321.381 -0.285 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCCN(C(=O)C#CC(C)C)C1 1070703125 GCJUVOBTKJOCON-CQSZACIVSA-N 317.389 -0.108 30 20 DBED CC(C)C#CC(=O)N1CCC[C@@H](NC(=O)Cn2cnnc2O)C1 1070703406 SDOYHKQRMAMONY-GFCCVEGCSA-N 319.365 -0.250 30 20 DBED CN1CC[C@@H](C(=O)N2C[C@@H]3C[C@@H]4CN(CC#N)C[C@]3(C2)O4)C1 1070888917 HPPZTXNCFZXDMK-HLPPOEQASA-N 304.394 -0.237 30 20 DBED C[C@@H]1C[C@H](C(=O)N2CCC(=O)NCCN(CC#N)CC2)CCO1 1071010380 IYDAMRHOPOCGJN-ZIAGYGMSSA-N 322.409 -0.024 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)C23CCN(CC2)C3)CC1 1071015425 DAGCZWXVNKEKQE-UHFFFAOYSA-N 318.421 -0.634 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)c2ccn(C)n2)CC1 1071020421 BISQYHLGVJVSQV-UHFFFAOYSA-N 303.366 -0.683 30 20 DBED C[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@]2(CCN(CC#N)C2)O1 1071164005 FWPBXUCAQBGYHO-BXUZGUMPSA-N 304.354 -0.356 30 20 DBED N#CCN1CCN([C@H]2CCCN(C(=O)[C@@H]3CCCO3)C2)C(=O)C1 1071253360 KHRDAARLEKNZKY-KBPBESRZSA-N 320.393 -0.176 30 20 DBED C=CCCOCC(=O)N1C[C@@H](NC(=O)c2cnn(C)n2)[C@H](C)C1 1072333454 NPPBYRCRFWBYPW-DGCLKSJQSA-N 321.381 -0.016 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCN([C@H]3CCC(=O)NC3=O)C2)C1 1072553185 WOUUGLPGYPMIQA-MNOVXSKESA-N 304.350 -0.514 30 20 DBED CC#CCN1CCCO[C@@H](CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 1073660959 SETVAMZMMAHJFS-OWCLPIDISA-N 323.437 -0.064 30 20 DBED C=CCN1CCCO[C@@H](CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 1073769445 HHEFCZQAGPVUKJ-RWMBFGLXSA-N 311.382 -0.588 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)[C@H]2CCc3nncn3C2)C1 1073901652 AHUOZRDWJDOZFC-KBPBESRZSA-N 317.393 -0.319 30 20 DBED C=CCOCC(=O)N1CC[C@H](NC(=O)c2cnnn2C)[C@@H](C)C1 1073921911 SWZMATGEMPIBCD-RYUDHWBXSA-N 321.381 -0.016 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)Cc3cnn(C)c3)C[C@@H]21 1074195080 OTLSUBJNTQCTSG-GJZGRUSLSA-N 302.378 -0.103 30 20 DBED C#CCCCC(=O)N1CC[C@H](NC(=O)CNC(N)=O)C[C@H]1C 1074819471 UEXMGVJGKMSYHW-NEPJUHHUSA-N 308.382 -0.046 30 20 DBED C[C@@H](CCNC(=O)c1cc(C#N)c[nH]1)NC(=O)c1ncn(C)n1 1076071814 YKPJXQFENCPRID-VIFPVBQESA-N 315.337 -0.047 30 20 DBED C#CCCCC(=O)NCC[C@H](C)NC(=O)CCn1cnnn1 1076298086 XPOICVWXUQJYKN-LBPRGKRZSA-N 306.370 -0.122 30 20 DBED C#CCO[C@@H](C)C(=O)NCC[C@H](C)NC(=O)[C@H]1CCC(=O)N1 1076510721 SOMHQZZDNYZRRH-SDDRHHMPSA-N 309.366 -0.686 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2ccn(CC(F)(F)F)n2)C1 1077186248 OABRVNDNJOJWIC-GHMZBOCLSA-N 316.283 -0.147 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)c2cn(C)nc2COC)C1 1077255900 STPRYJWPVKRKJZ-TZMCWYRMSA-N 308.382 -0.083 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)c2cncc(-n3ccnn3)c2)C1 1077449039 RKQKKRSJKQBSJR-ZIAGYGMSSA-N 314.349 -0.377 30 20 DBED N#CCN[C@H]1C[C@H](NC(=O)c2nnc(O)nc2O)C12CCC2 1078670164 FVKSZZIUDLNUMK-YUMQZZPRSA-N 304.310 -0.563 30 20 DBED C#CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)c2[nH]nnc2C)C1 1079774702 JNVXEUYQEHDKAW-LLVKDONJSA-N 319.365 -0.176 30 20 DBED CC#CCN1C[C@@H](NC(=O)c2cnc(O)n(C)c2=O)[C@H](C)C1 1080248692 FCQHIRXSWFXVLC-ZYHUDNBSSA-N 304.350 -0.441 30 20 DBED CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)[C@H]2CCC(=O)N2C)C1 1080421902 UKRZBRWLMJXANB-CMPLNLGQSA-N 306.366 -0.174 30 20 DBED C=C(Cl)CN1C[C@@H](NC(=O)Cn2c(O)nnc2O)[C@H](C)C1 1080852808 WITAEWDBZCLDJA-VXNVDRBHSA-N 315.761 -0.122 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CO)(NC(=O)[C@@H]2CCN(C)C2)CC1 1080865346 RKLKPLHEAABJGH-QWHCGFSZSA-N 322.409 -0.433 30 20 DBED C=CCn1cc(C(=O)N2C[C@@H](O)[C@H](CNC(=O)CC)C2)nn1 1081143433 AJYZEJYTSKBGOS-ZYHUDNBSSA-N 307.354 -0.577 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1coc(C(N)=O)c1 1083153404 YXZPNAJXOACPKT-GXTWGEPZSA-N 317.345 -0.073 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(Cc2cnnn2C)C[C@@H]1O 1083790017 KJGFCEQPFNULHN-MQYQWHSLSA-N 321.381 -0.933 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)[C@H]3COCCN3C(C)=O)[C@@H]2C1 1084841549 AMLQAWUUNRIKFR-RBSFLKMASA-N 305.378 -0.600 30 20 DBED C#CCN1CC[C@H]1CN(C)C(=O)[C@H]1C[C@H](OC)CN1C(C)=O 1085743400 MWSVDVYXJGCLEO-SOUVJXGZSA-N 307.394 -0.212 30 20 DBED N#Cc1cc(C(=O)NC[C@H]2C[C@H](N[C@H]3CCNC3=O)C2)c[nH]1 1086345693 YZVDYEVYVHHTRR-GAFUQQFSSA-N 301.350 -0.127 30 20 DBED C=CCN1CC[C@@H](NC(=O)Cn2cccc(C)c2=O)[C@H](O)C1 1090265045 JHOWXXQINFGNBG-ZIAGYGMSSA-N 305.378 -0.106 30 20 DBED C#CCN1CC[C@@H](NC(=O)Cc2nnn(C(C)(C)C)n2)[C@@H](O)C1 1090293185 SFNHHPAEDRIJPA-NEPJUHHUSA-N 320.397 -0.845 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cn(C(C)(C)C)nn2)[C@H](O)C1 1090315420 JHBKEGGOCQKHAO-WCQYABFASA-N 305.382 -0.169 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2cnn3ncccc23)[C@@H](O)C1 1090332229 UHDCBMFKSNKUBK-ZFWWWQNUSA-N 313.361 -0.082 30 20 DBED CCOCC(=O)N[C@@H]1CN(c2ccc(C#N)c(C)n2)C[C@H]1O 1090364812 CUCFEUXUNHQHPD-CHWSQXEVSA-N 304.350 -0.036 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(c2ncc(F)cn2)C[C@H]1O 1090408641 YNKYIVZJYOJAOJ-GYSYKLTISA-N 310.329 -0.392 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2cn(CC3CC3)nn2)[C@@H](O)C1 1090684221 WHMIWRUZIMVGTD-HIFRSBDPSA-N 317.393 -0.124 30 20 DBED N#CCNC1CC(CNC(=O)C2CC3(C2)CS(=O)(=O)C3)C1 1091097223 LMIGSKQUXDUPMU-UHFFFAOYSA-N 311.407 -0.181 30 20 DBED C=CCN1CC[C@H](NC2CC(CNC(=O)c3cnon3)C2)C1=O 1091291972 CHKHYIKGUCTRJE-MCIGGMRASA-N 319.365 -0.046 30 20 DBED N#Cc1ccc(N2C[C@H]3[C@H](NC(=O)CCCC(N)=O)[C@H]3C2)nn1 1093277960 HTCLXLUZHZIJED-HBYGRHMLSA-N 314.349 -0.445 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC(n2cc(CNCC)nn2)C1 1093323970 MTRNMTUGTGDENI-HNNXBMFYSA-N 316.409 -0.132 30 20 DBED N#Cc1cncc(NCCNC(=O)c2cncc(C(N)=O)c2)n1 1093659769 PPEQKHYNNHPFQB-UHFFFAOYSA-N 311.305 -0.316 30 20 DBED N#Cc1c(F)cccc1NCCNC(=O)Cn1c(O)nnc1O 1093779421 JOFUMASTOBUOLG-UHFFFAOYSA-N 320.284 -0.072 30 20 DBED C[C@H]1CCN(C(=O)C(=O)NCCNc2ccc(C#N)nn2)C1 1093869881 FSWVQJLUCDRTRB-JTQLQIEISA-N 302.338 -0.255 30 20 DBED N#Cc1nc(=NCCNC(=O)c2cnc3[nH]ncc3c2)cc[nH]1 1093941369 SBPSPUSLKGEJFJ-UHFFFAOYSA-N 308.305 -0.117 30 20 DBED N#Cc1cnc(NCCNC(=O)[C@H]2CN3CCC[C@H]3CO2)cn1 1094203474 UDESZTSBHOLQHH-QWHCGFSZSA-N 316.365 -0.260 30 20 DBED Cc1cnc(C(=O)N[C@H]2CC(=O)N(C3CN(CC#N)C3)C2)cn1 1094698751 JYDLFMQDSPSHKM-NSHDSACASA-N 314.349 -0.677 30 20 DBED CN(c1ccnc(C#N)n1)[C@@H]1CCN(C(=O)CNC(N)=O)C1 1095091496 MVUOPNGYOMYAQD-SECBINFHSA-N 303.326 -0.946 30 20 DBED CN(CCCNC(=O)CCn1cncn1)c1cncc(C#N)n1 1095479467 JGBRPBPTRWGALQ-UHFFFAOYSA-N 314.353 -0.027 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCNC(=O)CC1)N=c1cc[nH]c(C#N)n1 1098170547 AJNXSKZPHAHESS-WDEREUQCSA-N 316.365 -0.397 30 20 DBED N#CCNCc1cn([C@@H]2CCN(C(=O)[C@@H]3CCOC3)C2)nn1 1098633277 KUBSRVMMMDERFZ-DGCLKSJQSA-N 304.354 -0.299 30 20 DBED N#CCN1C[C@@H]2CCC[C@]2(NC(=O)CN2C(=O)CNC2=O)C1 1099152661 RIAXFAKBJHFXHW-HZMBPMFUSA-N 305.338 -0.968 30 20 DBED C#CCO[C@H](C)C(=O)NCC[C@@H](C)Nc1nccn2nnnc12 1099521136 LFOJTUSQYIRCKD-GHMZBOCLSA-N 317.353 -0.136 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(Cc2csnn2)C[C@H]1O 1099741601 WAEWVIQBQUGHKD-VXGBXAGGSA-N 312.395 -0.208 30 20 DBED C#CCCCCC(=O)N[C@H]1CCN(CCOCCO)C[C@@H]1O 1099787310 VTIWDGSIEVURPE-GJZGRUSLSA-N 312.410 -0.260 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CN(C)C(=O)C(C)C)[C@H](O)C1 1099860427 BNAZVVRXEVPWOF-ZIAGYGMSSA-N 309.410 -0.325 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)CN(C)C(=O)C2CC2)[C@H](O)C1 1099860799 IFXBBBZVLXOEIU-ZIAGYGMSSA-N 309.410 -0.018 30 20 DBED CN(CCNC(=O)CCCCNC(N)=O)c1ccnc(C#N)n1 1100216023 WJBNKBJJRLRXHC-UHFFFAOYSA-N 319.369 -0.261 30 20 DBED CN(CCNC(=O)[C@H]1CC[C@@H](C(N)=O)C1)c1cnc(C#N)cn1 1100328074 MZTWXXDELGIRRX-MNOVXSKESA-N 316.365 -0.198 30 20 DBED CCN(CCNC(=O)CNC(=O)C1CC1)c1nccnc1C#N 1100456686 XMIWXJKOZSMUDV-UHFFFAOYSA-N 316.365 -0.183 30 20 DBED COCC#CCNC1CC(CNC(=O)[C@]2(C)CCC(=O)N2)C1 1100655137 INAARBQVGARPRV-ZUEPYMLJSA-N 307.394 -0.211 30 20 DBED CCCN(CCNC(=O)Cn1ncnn1)c1ccc(C#N)nc1 1101191234 XLZWCNAPXPPOOS-UHFFFAOYSA-N 314.353 -0.027 30 20 DBED C[C@@H](CC(N)=O)C(=O)NCCN(c1nccnc1C#N)C1CC1 1101430582 JLEUNFXIMLGHEW-JTQLQIEISA-N 316.365 -0.055 30 20 DBED CN(CCNc1ncccc1C#N)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 1101959555 ZUEYOOQRLNKOIG-NWDGAFQWSA-N 317.349 -0.144 30 20 DBED CN(C[C@H]1CCN(C(=O)CNC(N)=O)C1)c1ccnc(C#N)n1 1102427575 ARUIGLWCQBADNG-SNVBAGLBSA-N 317.353 -0.699 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1CNC(=O)COCc1nncn1C 1102489507 MHGCOXWJXSMHHH-VXGBXAGGSA-N 306.370 -0.461 30 20 DBED C=CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)CC(=O)NC)C1 1102903629 RRRAUCVFZYKQPG-CHWSQXEVSA-N 324.425 -0.501 30 20 DBED CC[C@H](CNC(=O)[C@H]1COC(=O)N1)Nc1nccnc1C#N 1103052226 CHCGXIFBTLPIIL-PSASIEDQSA-N 304.310 -0.237 30 20 DBED C=CCOCC(=O)NC[C@@H](C)CNc1nccn2nnnc12 1103900568 SWOBXYNNKGEATO-SNVBAGLBSA-N 305.342 -0.114 30 20 DBED C=CCOCC(=O)N(C)[C@H](C)CNc1ccc2nnnn2n1 1104495843 BTCWKDQZWRECFQ-SNVBAGLBSA-N 305.342 -0.019 30 20 DBED C[C@H]1CN(C(=O)CNC(N)=O)CC[C@H]1Nc1cnc(C#N)cn1 1105030768 YJMNLBWDFCTAKN-GXSJLCMTSA-N 317.353 -0.335 30 20 DBED C=C(C)CNCc1cn(C2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)nn1 1105235826 VBMOKICAMDIIQV-CHWSQXEVSA-N 320.353 -0.008 30 20 DBED C[C@H](CC(=O)N(C)CCN(C)c1ccc(C#N)nn1)NC(N)=O 1105472752 GDTJUBKFNOGKLZ-SNVBAGLBSA-N 319.369 -0.310 30 20 DBED CN(CCN(C)c1cnc(C#N)cn1)C(=O)[C@H]1CCC(=O)N1C 1105530234 NBOKCVWGWNNQTN-GFCCVEGCSA-N 316.365 -0.136 30 20 DBED CN(CCN(C)c1ccc(C#N)nn1)C(=O)[C@]1(C)CCNC1=O 1105557384 KEPMFQFODPNQQI-OAHLLOKOSA-N 316.365 -0.231 30 20 DBED N#Cc1nccnc1NC[C@H](O)CNC(=O)c1cnns1 1105723035 FRORVXWEXNGGOV-ZETCQYMHSA-N 305.323 -0.597 30 20 DBED CCCOCC(=O)NC[C@H](O)CNc1nc(C)cc(C#N)n1 1105732222 LQIXZGZEJJZWFH-LBPRGKRZSA-N 307.354 -0.028 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)Cc2cc[nH]n2)cn1 1105762016 KVNDDPKUBFSCSI-CYBMUJFWSA-N 300.322 -0.192 30 20 DBED C#CCCCC(=O)NC[C@H](O)CNc1nccn2nnnc12 1105798675 IWDYUUYOZFXTFM-JTQLQIEISA-N 303.326 -0.788 30 20 DBED CCO[C@@H](C(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1)C(C)C 1105970725 MIQNYCWUVYPISQ-SMDDNHRTSA-N 321.381 -0.280 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H](O)CNc1nc[nH]c2ncnc1-2 1105971321 XFFOYFBUDNQMMW-ZJUUUORDSA-N 318.337 -0.768 30 20 DBED C=CC(C)(C)C(=O)NC[C@@H](O)CNc1ncnc2c1nnn2C 1106052102 SRJORLDLJHMLIE-VIFPVBQESA-N 319.369 -0.141 30 20 DBED N#Cc1nc(NC[C@H](O)CNC(=O)C(N)=O)sc1Cl 1106076644 CPPAGWMYLLPOLI-SCSAIBSYSA-N 303.731 -0.958 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)[C@H](O)C(C)C)C[C@H]1C 1106077946 ZIFPSLGGHIASHH-UMVBOHGHSA-N 309.410 -0.563 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)CCc2cnn[nH]2)cn1 1106123791 RSEDIPMHRWZSHS-ZDUSSCGKSA-N 315.337 -0.407 30 20 DBED CC(=O)N(C)CC(=O)NC/C=C\CNc1ccc(C#N)nn1 1107039625 QIAYIDFJMLWYPC-ARJAWSKDSA-N 302.338 -0.089 30 20 DBED N#Cc1c[nH]ccc1=NC/C=C\CNC(=O)[C@H]1CCC(=O)NC1 1107592276 BEKBEIKBCGBUHN-BIOMNHJASA-N 313.361 -0.014 30 20 DBED Cc1nc(CN2CCO[C@@](C)(CNC(=O)[C@H](C)C#N)C2)n[nH]1 1107821930 XYAPFKKRTUSQEV-YGRLFVJLSA-N 306.370 -0.020 30 20 DBED C#CCCN1CCO[C@](C)(CNC(=O)C(=O)NCC2CC2)C1 1108309264 QKJGBRMXSWYBQQ-MRXNPFEDSA-N 307.394 -0.257 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)CNC(=O)C1CCC1 1108418826 MVHYBFDZJWXUFT-JTQLQIEISA-N 316.365 -0.397 30 20 DBED CCCC(=O)N[C@H]1CC(=O)N(C2CN(CC#CCOC)C2)C1 1108498596 MGGKGUCMFQHKJV-ZDUSSCGKSA-N 307.394 -0.162 30 20 DBED C=CCCC(=O)N[C@@H]1CC(=O)N(C2CN(CC(=O)NCC)C2)C1 1108520560 VYYDGECOTNCRLV-GFCCVEGCSA-N 322.409 -0.510 30 20 DBED CN(C)CCC(=O)N1C[C@H]2C[C@@H](NCC(=O)NCC#N)C[C@H]1C2 1108756458 KQQLDWYQRUFYMA-BFHYXJOUSA-N 321.425 -0.453 30 20 DBED C[C@@H](CC(N)=O)C(=O)N[C@H](C)CN(C)c1cncc(C#N)n1 1109206289 UPYKXOALCWYAAX-VHSXEESVSA-N 304.354 -0.199 30 20 DBED CN(CCCN=c1cc[nH]cc1C#N)C(=O)Cn1cnnn1 1109375097 MXZUTYRNACODCA-UHFFFAOYSA-N 300.326 -0.678 30 20 DBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CSCC#N 1110305026 AIZABBYPWIFNDI-UTUOFQBUSA-N 321.406 -0.396 30 20 DBED C=CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CS(=O)(=O)CCOC 1110729575 KWMNYTOXHLRVJB-UPJWGTAASA-N 316.423 -0.045 30 20 DBED C[C@]1(CNc2cnc(C#N)cn2)CCN(C(=O)CNC(N)=O)C1 1110829193 SPTZIZGGUDINIY-CQSZACIVSA-N 317.353 -0.333 30 20 DBED N#Cc1cccnc1NCCN(CCO)C(=O)Cc1nc[nH]n1 1111506111 XONGYHXZFORKIE-UHFFFAOYSA-N 315.337 -0.453 30 20 DBED COC[C@@H](C)C(=O)NC[C@@H]1COCCN1c1cnc(C#N)cn1 1111665651 MHTVQSBKHCGDOI-DGCLKSJQSA-N 319.365 -0.048 30 20 DBED C[C@H](C#N)C(=O)N[C@]12CCC[C@H]1CN(Cc1nc(=O)n(C)[nH]1)C2 1111666874 NXSZDMHCGRLODE-ZETOZRRWSA-N 318.381 -0.261 30 20 DBED CNC(=O)NCC(=O)N1C[C@H](C)[C@H](Nc2cnc(C#N)cn2)C1 1112340534 NOHAURAXFMSQKO-GXSJLCMTSA-N 317.353 -0.464 30 20 DBED CNC(=O)NCC(=O)N1C[C@H](C)[C@@H](N=c2cc[nH]cc2C#N)C1 1112340600 OOXFFRCELDVTAQ-GWCFXTLKSA-N 316.365 -0.437 30 20 DBED COCCC(=O)NC[C@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1112689733 RBLFIIOUDCUGEZ-JQWIXIFHSA-N 305.338 -0.702 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)C3=COCCO3)[C@@H]2C1 1113807054 RPLYSQCCRXUWPC-QJPTWQEYSA-N 321.377 -0.388 30 20 DBED C=CCOCC(=O)NC1[C@H]2CN(Cc3nc(N(C)C)no3)C[C@H]12 1114054036 KCKDNDWBYQYVJG-QWRGUYRKSA-N 321.381 -0.115 30 20 DBED N#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3ccc(F)nc3)[C@H]2C1 1114070278 WPEXHODOHUXRIP-QWRGUYRKSA-N 317.324 -0.480 30 20 DBED Cc1nscc1C(=O)NC1[C@H]2CN(CC(=O)NCC#N)C[C@H]12 1114146803 IRIIXKDJKJYANH-UWVGGRQHSA-N 319.390 -0.249 30 20 DBED C=C[C@](C)(O)CC(=O)NC1[C@@H]2CN(CCS(C)(=O)=O)C[C@@H]12 1114194433 PQFATEHCIPCFRI-GYSYKLTISA-N 316.423 -0.596 30 20 DBED C#CCCCC(=O)NC1[C@@H]2CN(CCN3C(=O)CNC3=O)C[C@@H]12 1114201404 OPPWXQUZAKEZJS-VXGBXAGGSA-N 318.377 -0.612 30 20 DBED C=C(C)CN1C[C@@H]2C(NC(=O)CCS(=O)(=O)NC)[C@H]2C1 1114270490 GECRXONHZGOREV-QWRGUYRKSA-N 301.412 -0.452 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)c3oncc3C)[C@H]2C1 1115065595 PAYSLRAUAPOKRI-NDBYEHHHSA-N 316.361 -0.219 30 20 DBED CCCC(=O)NC1CCN(C(=O)NCC(=O)NCC#N)CC1 1117477690 LBDFMPSOJOHCFK-UHFFFAOYSA-N 309.370 -0.284 30 20 DBED N#CCCC[C@H](N)C(=O)N1CCN(C(=O)N2CCOCC2)CC1 1118060947 NDTDLMRBLQAUPH-ZDUSSCGKSA-N 323.397 -0.396 30 20 DBED C=CCn1cc(C(=O)N2CCN[C@@H](c3cnn(C)c3)C2)nn1 1119660473 SVQKWPAFLKTUMB-GFCCVEGCSA-N 301.354 -0.016 30 20 DBED C#CCNC(=O)CNC1CC2(C1)CC(NC(=O)c1ncc[nH]1)C2 1121058717 IKCJXIZVQJPBHX-UHFFFAOYSA-N 315.377 -0.210 30 20 DBED C[C@]1(C(=O)NC[C@H](CO)Nc2ccc(C#N)cn2)CNC(=O)C1 1122254343 JXTFTOUNFXSQOJ-IAQYHMDHSA-N 317.349 -0.632 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]cc1C#N)C(=O)c1cnccn1 1124044979 CJFFKTDQIVEJER-LBPRGKRZSA-N 312.333 -0.290 30 20 DBED CN(C[C@H](O)CNc1nccnc1C#N)C(=O)c1ccon1 1124090816 OFWZBPOJGJLZJQ-SECBINFHSA-N 302.294 -0.119 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCNCC[C@@H]1CCS(=O)(=O)C1 1126366584 WXAQZLLWNKADQO-TZMCWYRMSA-N 318.439 -0.156 30 20 DBED COCCN(CCNC(=O)c1nc[nH]n1)c1ccc(C#N)cn1 1126383638 FODMHAOADUUQBK-UHFFFAOYSA-N 315.337 -0.046 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)c1[nH]c(O)nc1C 1129997953 JIJSCZKGIIFHQZ-UHFFFAOYSA-N 321.381 -0.056 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1cnc2[nH]ncc2c1 1130089247 GCTUMXXZQMOEFT-UHFFFAOYSA-N 302.338 -0.421 30 20 DBED C#CCNC[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)COC)n1 1130173329 LNNJMQVWUCSSPR-QWRGUYRKSA-N 307.354 -0.837 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)c2ccc(C(N)=O)o2)C1=O 1131101701 QRKRRUASMYNFFA-SNVBAGLBSA-N 320.349 -0.515 30 20 DBED N#CCN1CCNC(=O)CCN(C(=O)COCC(F)F)CC1 1131372097 ZOKBZECOTJTYCW-UHFFFAOYSA-N 318.324 -0.558 30 20 DBED C#CCN1CC[C@@]2(C1)CN(C(=O)CC(=O)NCC)C[C@@H](C)O2 1131652627 LOJRHORQQQNIOE-CZUORRHYSA-N 307.394 -0.162 30 20 DBED C#CCN1CC[C@]2(C1)CN(C(=O)CNC(=O)NC)C[C@H](C)O2 1131665854 JUPQPRRSEPZAFV-WFASDCNBSA-N 308.382 -0.760 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)COc1cnn(C)c1 1132964659 ZFZCFQBLSDMBGK-LLVKDONJSA-N 309.370 -0.805 30 20 DBED N#Cc1ccc(CNCCNC(=O)[C@@H]2CNC(=O)N2)cc1F 1133129424 YIDKIQZPJCWEOY-LBPRGKRZSA-N 305.313 -0.415 30 20 DBED C=CCNC[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)CC[C@H]1C 1133307174 VNUGODNKIRFXHI-VXGBXAGGSA-N 308.382 -0.202 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)c2cn(C)c(O)n2)C1=O 1133335011 HLIHMAGNXWWQNK-JTQLQIEISA-N 307.354 -0.768 30 20 DBED C[C@H](C[C@@H](C)NC(=O)CSCC#N)NCc1nnn(C)n1 1133735297 BXYPPQMMXFTWPQ-NXEZZACHSA-N 311.415 -0.160 30 20 DBED C=CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)c1cnnn1C 1134244795 QCAINKBRDMBQNV-WDEREUQCSA-N 308.386 -0.396 30 20 DBED C#CCOCCC(=O)N[C@H](C)C[C@H](C)NCc1nnnn1C 1134373070 QVHPDJXCTCASIY-NWDGAFQWSA-N 308.386 -0.377 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@@H]1Cc2ccccc2CO1 1149546360 NIXBDYXNULAOAP-HNNXBMFYSA-N 315.373 -0.417 30 20 DBED CC(=O)N1CC[C@@](C)(C(=O)NC[C@@H]2CN(CC#N)CCCO2)C1 1150553540 LYLKTQIDQKMRIR-GDBMZVCRSA-N 322.409 -0.024 30 20 DBED C#CCCN1CCCO[C@@H](CNC(=O)C[C@@H]2CC(=O)NC2=O)C1 1150830658 IAFNRSJCNJXJNB-OLZOCXBDSA-N 321.377 -0.730 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)c1ccnc(C)n1 1151306871 VOULEERLCDIZDD-UHFFFAOYSA-N 318.381 -0.133 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)[C@@H](C)CC(N)=O)C1=O 1163919447 WRCNHJFCKRBUTQ-RYUDHWBXSA-N 310.398 -0.619 30 20 DBED C=CCNC(=O)CNCCCNC(=O)c1nc2ncccn2n1 1168836978 XPAOBJCLAAPQEG-UHFFFAOYSA-N 317.353 -0.864 30 20 DBED CC(C)C(=O)N1CC[C@H]2OCCN(CC(=O)NCC#N)[C@H]2C1 1176912507 KYOKYWQGDMZOLI-QWHCGFSZSA-N 308.382 -0.416 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2cn(CC)nn2)C1 1186672321 XKRRMRXRPYYOSK-VXGBXAGGSA-N 318.381 -0.760 30 20 DBED C=CCN1C[C@@H]2CCN(C(=O)CS(=O)(=O)CCOC)[C@@H]2C1 1188375586 JYSXPNOJQLJQOW-QWHCGFSZSA-N 316.423 -0.234 30 20 DBED C[C@@H](C(=O)N1CC[C@H](N(C)CC(=O)NCC#N)C1)n1cncn1 1189705003 FUTTZJXXPWRHJU-RYUDHWBXSA-N 319.369 -0.988 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@H]1CCN(C(=O)CC2(O)CCC2)C1 1190015817 SSLZJMVLYDWSLF-KBPBESRZSA-N 321.421 -0.038 30 20 DBED C#CCCN(C)[C@@H]1CCN(C(=O)CN2CCN(C)C(=O)C2)C1 1191028471 AYXRTEZOTOQSAN-CQSZACIVSA-N 306.410 -0.684 30 20 DBED CCC[C@@H](OC)C(=O)N1CC[C@@H](N(C)CC(=O)NCC#N)C1 1191695537 JWLSSLPFYLILHX-CHWSQXEVSA-N 310.398 -0.026 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 1192355286 QNXPXFKOICVCLO-HUUCEWRRSA-N 320.437 -0.390 30 20 DBED CCCCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)C#CC2CC2)C1 1192862464 SHGHFWDHFPOEHK-NWANDNLSSA-N 321.421 -0.134 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)Cc2[nH]cnc2C)C1 1198134396 SQURFUHUABVMDL-ZIAGYGMSSA-N 306.366 -0.928 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)[C@@H](C)n2cncn2)CC1 1200118127 MBDLQMBXUAPLFD-GFCCVEGCSA-N 320.397 -0.278 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CCN(C(=O)c2cncnc2)CC1 1200195240 XJVGXJFYCQWYCT-GFCCVEGCSA-N 315.377 -0.191 30 20 DBED COCC#CCN[C@H]1C[C@H](NC(=O)Cn2cncn2)C12CCC2 1203695321 RAIUJNPYIKWOAG-KBPBESRZSA-N 317.393 -0.055 30 20 DBED COCC#CCN[C@H]1C[C@H]2CC[C@H]1N(C(=O)Cn1nccn1)C2 1204374116 ZPOBNPWWQIIDST-QLFBSQMISA-N 317.393 -0.103 30 20 DBED C#CCCNCC1CCN(C(=O)[C@@H](C)NC(=O)COC)CC1 1205382036 WEOGFEAUFFEIIJ-CYBMUJFWSA-N 309.410 -0.011 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCCN(C(=O)c2cnns2)C1 1207506231 GWKXOUDYRBVHSM-WDEREUQCSA-N 321.406 -0.130 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2CCCCO2)C1 1207808397 YRDCVPDRTSLSLW-OLZOCXBDSA-N 308.382 -0.224 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)CCc2ncc[nH]2)C1 1207925016 VHHRBPUVQQHOIN-ZDUSSCGKSA-N 317.393 -0.328 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(CCOCCO)C[C@H]1OC 1212032074 IRRLLRLWEAPDQA-CHWSQXEVSA-N 302.371 -0.987 30 20 DBED CC#CCN1C[C@@H](NC(=O)C(=O)Nc2cc(C)on2)[C@H](OC)C1 1213845555 DIOIFJRMRURDMV-VXGBXAGGSA-N 320.349 -0.240 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)C[C@H]2CCOC2)C[C@H]1C 1214375592 RJLVQBQBCHXPQH-MGPQQGTHSA-N 307.394 -0.401 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H]2[C@@H](C1)OCCN2C(=O)CC1CC1 1217180926 VPBSXPSOPDZVRN-VHDGCEQUSA-N 319.405 -0.164 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)C#CC(C)C 1217844116 PVCTVQCEWOOMAA-LSDHHAIUSA-N 317.389 -0.693 30 20 DBED Cc1cc(C)c(C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@@H]2O)[nH]1 1219879166 DOQNZCLMSKZPMC-NEPJUHHUSA-N 319.365 -0.954 30 20 DBED C#CCCN1CCC(CNC(=O)CCn2ncn(C)c2=O)CC1 1223938134 QWOZEDUBPBDPFB-UHFFFAOYSA-N 319.409 -0.177 30 20 DBED C=CCNC(=O)[C@H](C)N1CCC(NC(=O)c2nnn(C)n2)CC1 1228693696 PXBZSOKXZIQJIC-JTQLQIEISA-N 321.385 -0.905 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC(NC(=O)CCCC(N)=O)CC1 1230442343 HWYLYQOYLGVDSN-LBPRGKRZSA-N 322.409 -0.640 30 20 DBED C=C[C@](C)(O)CC(=O)N(C)C[C@@H]1CCN1Cc1nc(O)n[nH]1 1233976767 HTLFLUOWSKYPOE-HZMBPMFUSA-N 309.370 -0.130 30 20 DBED C=CCOCCNC(=O)C(=O)N[C@H]1CCOC[C@@H]1OCC 1261669419 KJLIGFWRGWSHSA-RYUDHWBXSA-N 300.355 -0.385 30 20 DBED CC#CC[C@H](CO)NC(=O)C(=O)Nc1cc(C)nn1CCC#N 1326088123 QAPDDWIRPJZBJA-GFCCVEGCSA-N 317.349 -0.066 30 20 DBED C[C@H]1CN(C(=O)C(=O)N2CCO[C@@H](C#N)C2)CC2(CCC2)O1 1327024650 OWQLFLGVTDJUMZ-RYUDHWBXSA-N 307.350 -0.093 30 20 DBED N#Cc1ccccc1CN1C(=O)N[C@@H](CCS(N)(=O)=O)C1=O 1327927180 YLHCCJGGWGIFHY-NSHDSACASA-N 322.346 -0.343 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)C(=O)N2CCOC[C@@H]2C2CCC2)C1 1328445201 OZPNOGDNOMDRAM-CZUORRHYSA-N 321.377 -0.109 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)CC[C@H]2NC(=O)NC2=O)C1=O 1328619850 AIRKLXZGQRUJPV-ZJUUUORDSA-N 308.338 -0.780 30 20 DBED C=CCCONC(=O)C(=O)c1cc(S(N)(=O)=O)cn1C 1330966087 IDHJQUJETASLDE-UHFFFAOYSA-N 301.324 -0.521 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCC([C@H](O)C(=O)OC)CC1 1331911418 RSLKUQOKLUPCNS-KBPBESRZSA-N 308.378 -0.144 30 20 DBED C#CCOCCn1nnnc1N1C[C@@H](C(=O)OC)[C@H](C2CC2)C1 1344583866 MIJJFTYLALDJQH-QWHCGFSZSA-N 319.365 -0.042 30 20 DBED C#CC1CCN(C(=O)C(=O)N[C@@H]2CCc3nc(C)nn3C2)CC1 1345856502 SLYMJQGUCZELFV-CYBMUJFWSA-N 315.377 -0.111 30 20 DBED C[C@@H]1CC(=O)CC[C@@H]1C(=O)NCCn1cc(C#N)c(O)nc1=O 1362690323 QSUQHHRFWZJFET-SKDRFNHKSA-N 318.333 -0.058 30 20 DBED C[C@H](NC(N)=O)C(=O)N1CC2(CCCN(C(=O)[C@H](C)C#N)C2)C1 1381419259 OOJJRUVJFZSRCN-MNOVXSKESA-N 321.381 -0.346 30 20 DBED C[C@H](C#N)C(=O)N1CC([C@@H](C)NC(=O)CCN2CCOCC2)C1 1383296637 OBXXHMRRCNRCPL-CHWSQXEVSA-N 322.409 -0.169 30 20 DBED COCC1(C(=O)NC[C@@H](O)CNC(=O)[C@H](C)C#N)CCCC1 1410121962 JKJKZYUHLDRSDF-NEPJUHHUSA-N 311.382 -0.054 30 20 DBED C[C@@H](C#N)C(=O)N(C)C[C@@H]1CCCN1C(=O)CCNC(N)=O 1411273143 XECLZCNFGGEFCJ-QWRGUYRKSA-N 309.370 -0.346 30 20 DBED Cc1[nH]c2ccnn2c(=O)c1CC(=O)N1CC[C@](O)(CC#N)C1 1413182705 QKANUKVIPTZMPN-OAHLLOKOSA-N 315.333 -0.249 30 20 DBED Cc1ncncc1C(=O)N(C)C[C@H](O)CNC(=O)[C@@H](C)C#N 1425776501 TUNXUQNLASLYLM-GXSJLCMTSA-N 305.338 -0.506 30 20 DBED CCN1C[C@@H](C(=O)NCC2(NC(=O)[C@H](C)C#N)CC2)CC1=O 1433914280 XMIJPRTTXIKIGL-MNOVXSKESA-N 306.366 -0.221 30 20 DBED CCOC1CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)CC1 1434155749 YPVNBIPCMBNBLI-UHFFFAOYSA-N 306.322 -0.152 30 20 DBED C[C@H](C#N)C(=O)N1CCC(N(CCO)Cc2ncnn2C)CC1 1440527955 FCBAGYNAXVFNTA-GFCCVEGCSA-N 320.397 -0.240 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](C1CC1)N(C)C(=O)c1cnn(C)n1 1450843578 BHJDVLLCLAFITD-SKDRFNHKSA-N 304.354 -0.058 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CCC(O)(CN(C)C)CC1 1475707010 VJJRVZLLLXPDAZ-UHFFFAOYSA-N 318.443 -0.145 30 20 DBED CNC(=O)Cc1noc(CN2CC(CNC(=O)[C@H](C)C#N)C2)n1 1481617240 BMQDTECMFIJXLV-SECBINFHSA-N 320.353 -0.934 30 20 DBED C=CCNC(=O)NC(=O)CN[C@H]1CCN(C(=O)c2cnco2)C1 1491744748 XVHVVDAIEMXLFS-JTQLQIEISA-N 321.337 -0.510 30 20 DBED C[C@H](C#N)C(=O)NC1CN(C(=O)CC[C@@]2(C)CCC(=O)N2)C1 1498384217 UAWMMRMIVMBXSA-MEBBXXQBSA-N 306.366 -0.078 30 20 DBED CO[C@@H](C)CCC(=O)NC[C@H](O)CNC(=O)c1cc(C#N)c[nH]1 1501478890 CMPOKFGGZOHFRG-JQWIXIFHSA-N 322.365 -0.092 30 20 DBED C#C[C@@H](C)N(C)c1nnc(CS(C)(=O)=O)n1CCOC 1514646913 SOZQXAHNLRSJHQ-SNVBAGLBSA-N 300.384 -0.073 30 20 DBED CC(C)NC(=O)[C@@H](C#N)C(=O)c1cn(CC(=O)N(C)C)nn1 1516674657 FZSNJNXRMWGOOL-VIFPVBQESA-N 306.326 -0.787 30 20 DBED CC[C@H](CNC(=O)CCn1cnccc1=O)NC(=O)[C@@H](C)C#N 1531452961 UOHVTRPCTADFIA-NWDGAFQWSA-N 319.365 -0.196 30 20 DBED C[C@@H](CNC(=O)[C@@H](C)C#N)CNC(=O)C(C)(C)S(C)(=O)=O 1532329510 QFLZNBYQKAODLK-UWVGGRQHSA-N 317.411 -0.162 30 20 DBED N#Cc1ccc(N2CCN(C(=O)[C@@H]3C[C@@H]3C(=O)O)CC2)nn1 1571074305 FXRHCNJNFREHLP-MNOVXSKESA-N 301.306 -0.282 30 20 DBED N#Cc1ccc(CNC(=O)Cn2cnc(-c3nn[nH]n3)n2)s1 1581869654 GTIVQCAESDLOHK-UHFFFAOYSA-N 315.322 -0.292 30 20 DBED O=C(C#CC1CC1)N[C@H]1CCN(c2cncc(-c3nn[nH]n3)n2)C1 1581912611 REWMEDYLTIDYQV-NSHDSACASA-N 324.348 -0.235 30 20 DBED C#CCn1cc(CNC(=O)c2cc(-c3nn[nH]n3)cn2C)cn1 1588363997 MVJWVKIZEIFTCK-UHFFFAOYSA-N 310.321 -0.035 30 20 DBED C#CCN(CC(=O)O)C(=O)N[C@@H]1CCOC[C@H]1OCCOC 1588409942 MNRHDWXBBUDUMQ-VXGBXAGGSA-N 314.338 -0.464 30 20 DBED C=CCOC[C@H](NS(=O)(=O)C[C@H](C)C(=O)O)C(=O)OC 1588867192 VWJQBVNXGKJZMP-IUCAKERBSA-N 309.340 -0.629 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H](C(=O)OC)C[C@@H]2C(=O)O)nn1 1588910390 WKQOKMOHLMPWTF-GXSJLCMTSA-N 322.321 -0.058 30 20 DBED COC(=O)C1=NO[C@]2(CCN(C(=O)[C@](C)(C#N)CC(=O)O)C2)C1 1593815426 FOCKUTRYYGHWJA-UONOGXRCSA-N 323.305 -0.089 30 20 DBED O=C(O)[C@H]1C[C@H]1C(=O)NCCN(CCO)C(=O)C#CC1CC1 1601785420 XXQWPLSMMPTOBM-NEPJUHHUSA-N 308.334 -0.942 30 20 DBED C=C(CCN(C)C)C(=O)NC[C@]1(C(=O)O)C[C@@H]1S(C)(=O)=O 1602787891 VLRYDEXNWJCTTE-GXFFZTMASA-N 318.395 -0.502 30 20 DBED N#CCOc1cccc(CNC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)c1 1645975407 CALOBUNZBNJWAK-RBSFLKMASA-N 318.329 -0.382 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CCN(C[C@H](O)CN2CCCC2=O)C1 1660984211 QEPXAFKIRBKAQJ-CABCVRRESA-N 319.405 -0.426 30 20 DBED C#CCNC(=O)CNC[C@@H]1CCN(C(=O)c2ccsn2)C1 1752944598 WNIZWIFWTOFRRT-NSHDSACASA-N 306.391 -0.056 30 20 DBED CN(CC(=O)N(C)[C@H]1CCN(CC(=O)NCC#N)C1)C1CCC1 1753439412 NCRAOWLSBGJOQW-AWEZNQCLSA-N 321.425 -0.357 30 20 DBED C#CCNC(=O)CNC[C@H](C)CNC(=O)[C@H](F)C(F)(F)F 1753614207 JOPCPPPAYYNOST-WPRPVWTQSA-N 311.279 -0.022 30 20 DBED COCC(=O)N(C)CC(=O)N1CC[C@@H]2[C@@H](CCN2CC#N)C1 1753873928 WLGVPYYFHGBQIS-QWHCGFSZSA-N 308.382 -0.462 30 20 DBED C#CCCN1CC[C@@](O)(CNC(=O)c2cn(C)ccc2=O)C1 1754752626 MLSWHIHDIUIKAR-MRXNPFEDSA-N 303.362 -0.425 30 20 DBED C#CCN1CCC[C@](CO)(NC(=O)c2ccc3nncn3c2)C1 1754858606 DZPBHXYVIDUXTL-INIZCTEOSA-N 313.361 -0.081 30 20 DBED C#CCNC(=O)CN(C)CCCN(C)C(=O)c1ccc(C)nn1 1755037255 RKAACMGNNDCGKA-UHFFFAOYSA-N 317.393 -0.072 30 20 DBED C#CCN[C@]1(CO)CCCN(C(=O)COC2CCN(C)CC2)C1 1755091072 UBKRUJWZZDCBDM-QGZVFWFLSA-N 323.437 -0.327 30 20 DBED C#CCCN1CC(CCO)(NC(=O)c2ccc(C(N)=O)o2)C1 1755333823 KHOGFQWPBMRICD-UHFFFAOYSA-N 305.334 -0.432 30 20 DBED N#CCNC(=O)CNC[C@H]1C[C@H](NC(=O)c2ccncn2)C1 1755480594 CINGYNVZYIYDAL-XYPYZODXSA-N 302.338 -0.786 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C[C@@H](C)NCCN1CCNC1=O 1755587173 XRNJZTUMWOHSOZ-CHWSQXEVSA-N 310.398 -0.514 30 20 DBED C=C(C)CN[C@@H](CO)CNC(=O)c1cnc2ccccn2c1=O 1755643025 NOSFNEGATNYZFF-GFCCVEGCSA-N 316.361 -0.049 30 20 DBED C[C@H]1[C@@H](NC(=O)[C@@H]2[C@H]3COC[C@H]32)CCCN1CC(=O)NCC#N 1755716376 MAOSSVGEBFGSJJ-DKBOKBLXSA-N 320.393 -0.512 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC([C@@H](C)NC(=O)Cn2cncn2)C1 1756161970 ZEWGZSRKQRJCNY-ABAIWWIYSA-N 321.381 -0.432 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@H](O)[C@H](NC(=O)c2occc2C)C1 1757154233 JIDJWRNDFWZMLH-UPJWGTAASA-N 320.345 -0.072 30 20 DBED C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)N(C)CC)C2)C1 1782620825 VOUBAQWSQXJTGV-XJKSGUPXSA-N 307.394 -0.210 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)C(=O)NCC(C)C)CCO2 1783049310 UAXFHAQKCJWFGF-MRXNPFEDSA-N 321.377 -0.778 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)CCNC(C)C)CCO2 1783049698 MOUJCVRMVIDSED-INIZCTEOSA-N 307.394 -0.162 30 20 DBED C=CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)NC=O)CCO2 1783917230 JNERKOAQKDWBRO-IUODEOHRSA-N 309.366 -0.473 30 20 DBED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)COC)[C@H]2C1 1784613558 OYVZVLPWMRNGML-RFGFWPKPSA-N 308.378 -0.118 30 20 DBED Cn1nncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CC#N)C2 1794519197 HHCPPTPDMHZUGW-JGPRNRPPSA-N 302.338 -0.019 30 20 DBED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)COC)C2)C1 1840172238 AWNOBTCUHNLZFM-HNNXBMFYSA-N 312.366 -0.335 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H](C)N(C)C2CC2)C1=O 69533841 ISHUYUBOEBPOLY-SNVBAGLBSA-N 322.365 -0.438 30 20 DBED N#Cc1ccc(S(=O)(=O)N2CCN3C(=O)NC[C@H]3C2)cc1 91756230 GPLGHUNOHQOVDK-NSHDSACASA-N 306.347 -0.044 30 20 DBED C#CCN1CCN(C(=O)CN(C)C[C@H]2CCN(C(C)=O)C2)CC1 156502871 KNHDWPDFDQLVSQ-MRXNPFEDSA-N 320.437 -0.436 30 20 DBED N#C[C@H]1CN(S(=O)(=O)N2CCCC[C@H]2C(=O)O)CCO1 250810555 DHEUNRRYZPBBIJ-UWVGGRQHSA-N 303.340 -0.605 30 20 DBED CC(C)(C)OC(=O)N1CCN(C(=O)Cn2cnnn2)[C@@H](C#N)C1 267392412 QNUQEZPPTINQHZ-JTQLQIEISA-N 321.341 -0.355 30 20 DBED COC[C@](C)(C#N)NC(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1 269506673 CCMJMBSWCNETTF-AAEUAGOBSA-N 324.362 -0.239 30 20 DBED CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)C(C)(C)C#N)C2 276345150 GUKLBSYVBPKCEX-UHFFFAOYSA-N 320.353 -0.975 30 20 DBED CC[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccc(C#N)cn1 293484709 SRTDTWMILNTIJK-JTQLQIEISA-N 301.306 -0.371 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCc2c[nH]nc2C)C1=O 299547370 QAWODDJGCOUOIM-UHFFFAOYSA-N 305.294 -0.689 30 20 DBED N/C(=N/CCNS(=O)(=O)Cc1ccon1)NCC1CCC1 304792654 LEJYWGAPPWJIQD-UHFFFAOYSA-N 315.399 -0.202 30 20 DBED COC(=O)[C@@H]1C[C@H](O)CN1CC(=O)NC1(C#N)CCCCC1 317544042 SHJWWYFSUAJMSZ-RYUDHWBXSA-N 309.366 -0.063 30 20 DBED CN1CCOC[C@@H]1/C(O)=N/C[C@@](C)(O)CN1CCOCC1 329035827 RCUOPLNXDBUWIV-TZMCWYRMSA-N 301.387 -0.643 30 20 DBED CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1CCO[C@H](C#N)C1 336954309 XNBXJJILLRFNFP-MNOVXSKESA-N 317.367 -0.517 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)NC[C@H](O)COCC1CC1 337099978 UYPSNNPLGSUBCN-PWSUYJOCSA-N 305.400 -0.300 30 20 DBED COC(=O)CN(CC#N)CC(=O)NC(=O)NCC(F)(F)F 348482312 DEMWWBGYMWRSSN-UHFFFAOYSA-N 310.232 -0.627 30 20 DBED COC(=O)[C@@H]1CS(=O)(=O)CCN1CCCSCC#N 358821604 ALNBNSRASGPOEC-JTQLQIEISA-N 306.409 -0.095 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCc2ncc(C)o2)C1=O 359548912 UNQMFYGZCKWWQT-UHFFFAOYSA-N 306.278 -0.424 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCN2C(=O)OC[C@H]2C1 374463795 ZOBVQNOJLJXJBX-VHSXEESVSA-N 302.356 -0.541 30 20 DBED C=CCN1CC[C@H](N2CCC[C@H](C(=O)N3CCNCC3)C2)C1=O 420282586 BRMNYCTUUXHJCC-GJZGRUSLSA-N 320.437 -0.083 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC2(C)CCNCC2)C1=O 434684118 HJEXBSPDFKBXRZ-UHFFFAOYSA-N 308.338 -0.779 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2oc(C)nc2C)CC1 491071872 OBGNIBMEUPWTAQ-UHFFFAOYSA-N 304.350 -0.201 30 20 DBED CN1CCC(C#N)(NC(=O)Cn2nc3ccccn3c2=O)CC1 518300110 LVCJMRZUNLRGAR-UHFFFAOYSA-N 314.349 -0.400 30 20 DBED N#Cc1ccc(S(=O)(=O)NC[C@@H]2CN3CCN2CC3)c(F)c1 533468537 ZINSWGYBWZIQJZ-GFCCVEGCSA-N 324.381 -0.025 30 20 DBED CN1CCO[C@H](C(=O)N(C)CCCc2[nH]nc(N)c2C#N)C1 539355102 GMTPPMOUWSDXMS-LBPRGKRZSA-N 306.370 -0.415 30 20 DBED COCCN(CCC#N)S(=O)(=O)NCC[C@](C)(O)COC 573507087 UUORHPCPWOPVMV-LBPRGKRZSA-N 323.415 -0.530 30 20 DBED CCN1C[C@@H](NC(=O)C(=O)Nc2cc(C)c(C#N)cn2)CC1=O 580961235 NHUKLOKTVQVYQK-NSHDSACASA-N 315.333 -0.063 30 20 DBED C=CCNC(=O)[C@H]1CCCN1C(=O)c1ccc2c(c1)COB2O 584945677 RUVNLJMITJCHTQ-CQSZACIVSA-N 314.150 -0.189 30 20 DBED COCCNC(=O)Cn1cc(Nc2cc(C#N)cnn2)cn1 596140809 IMUJERZQKQPFRK-UHFFFAOYSA-N 301.310 0.051 30 20 DBED C=CCOC[C@H](NC(=O)c1ccn2nnnc2c1)C(=O)OC 597607630 YRSJCIVUZKRORQ-JTQLQIEISA-N 305.294 -0.402 30 20 DBED C=C[C@@H](O)C(=O)N(CCCN(C)C)[C@@H]1CCS(=O)(=O)C1 612055941 FCUBLSNEIJKRAC-VXGBXAGGSA-N 304.412 -0.499 30 20 DBED C=CCN(C(=O)[C@H]1COCCN1CC)[C@H]1CCS(=O)(=O)C1 636826605 MAAAZWUZFRYUMC-QWHCGFSZSA-N 316.423 -0.091 30 20 DBED CCC#C[C@@H](C)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 682434973 OQBCKVVZXUZLFQ-GFCCVEGCSA-N 305.382 -0.250 30 20 DBED N#Cc1ccc([C@H](OC(=O)C2CC(=O)NC(=O)C2)C(N)=O)cc1 734588622 WGPNVYXHVKJRDI-ZDUSSCGKSA-N 315.285 -0.319 30 20 DBED CCc1nn(C)c(Cl)c1C=NNC(=S)NCC(N)=O 734748702 VVADXKXFMJNKTP-UHFFFAOYSA-N 302.791 -0.081 30 20 DBED C[C@@H](C(=O)N(CC#N)CC(=O)O)N1C(=O)NC2(CCCC2)C1=O 736202095 YFSOTYRHHSASTH-VIFPVBQESA-N 322.321 -0.324 30 20 DBED N#CCN1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 737696340 QHHICJQTCTYXGE-UHFFFAOYSA-N 315.297 -0.185 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)[C@@H](NC(=O)C(C)(C)C)[C@@H](C)O 745697913 BVIRZICABGJXMH-VWYCJHECSA-N 312.366 -0.421 30 20 DBED C#CCN1CCN(C(=O)CN(C)[C@H]2CCCCNC2=O)CC1 748812136 GWEXHNBYBDFJAY-AWEZNQCLSA-N 306.410 -0.636 30 20 DBED C#CCOCCNC(=O)Cc1c(C)nc2nc(N)nn2c1C 753519973 DEEILUFGVRTGCJ-UHFFFAOYSA-N 302.338 -0.368 30 20 DBED CN1CCC(=NNC(=S)NCCCN2CCOCC2)C1=O 761749505 QRVLWOONYWGXSE-UHFFFAOYSA-N 313.427 -0.609 30 20 DBED Cn1nncc1C(=O)NS(=O)(=O)Cc1cccc(C#N)c1 798824053 XXTFNGYLLGJMDW-UHFFFAOYSA-N 305.319 -0.053 30 20 DBED C=CCN1CC[C@@H](N(C)CN2C(=O)N[C@@](C)(COC)C2=O)C1=O 799143132 GEXCHLCOFZZVFO-ABAIWWIYSA-N 324.381 -0.381 30 20 DBED N#CCNC(=O)CNC(=O)NCc1cn(-c2ccccc2)nn1 805192257 CUJUVNOOMGWZKA-UHFFFAOYSA-N 313.321 -0.294 30 20 DBED C#C[C@H](NC(=O)C(=O)N(C)C[C@@H]1CCC[C@H]1O)[C@@H]1CCCO1 809309138 DHMPDINPXPXLBM-FQUUOJAGSA-N 308.378 -0.097 30 20 DBED C#C[C@@H](NC(=O)C(=O)N(CCO)CCCOC)[C@@H]1CCCO1 809313662 WOHOQGBISSJPTA-OLZOCXBDSA-N 312.366 -0.859 30 20 DBED C=C[C@@H](O)C(=O)OCC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O 814548797 XSOFOXIURSOFNE-LLVKDONJSA-N 318.285 -0.059 30 20 DBED CN1C(=O)CC[C@@H]1C(=O)NS(=O)(=O)c1cccc(C#N)c1 821619562 CQIKHCCHEKDKOJ-LLVKDONJSA-N 307.331 -0.016 30 20 DBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1C[C@@H](O)C1 830549693 PFMKYXOUKXXADI-DTORHVGOSA-N 309.347 -0.635 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CCC=CO2)CC1 831568659 NHPYIEGEYDJBST-GFCCVEGCSA-N 313.379 -0.709 30 20 DBED N#C[C@@H]1CNC[C@H]1NC(=O)CCNC(=O)Cc1ccccc1 834516985 OLKFZRIYEGFUIR-ZIAGYGMSSA-N 300.362 -0.037 30 20 DBED C=C[C@@H]1OCC[C@H]1NC(=O)C(F)(F)C(=O)N1CCOCC1 836234559 LPJXRAIDDJBBGT-ZJUUUORDSA-N 304.293 -0.060 30 20 DBED CCOC(=O)C1=C(Cn2cnc(C#N)cc2=O)NC(=O)N[C@@H]1C 842651673 SRXTVRJJEVSEKS-MRVPVSSYSA-N 317.305 -0.367 30 20 DBED C=C(C)CONC(=O)N1CCN(S(=O)(=O)N(C)C)CC1 845591896 WMSIKGUMPLKBJT-UHFFFAOYSA-N 306.388 -0.372 30 20 DBED CN(C)C(=O)OCCNC(=O)C(=O)Nc1cccc(C#N)n1 850631065 GUZIHQKXLPUDJS-UHFFFAOYSA-N 305.294 -0.294 30 20 DBED Cc1nn(CN2CCN(c3nccnc3C#N)C[C@@H]2C)c(=O)o1 853502281 WGRKVHADLAPQBQ-JTQLQIEISA-N 315.337 -0.025 30 20 DBED C#C[C@H](NC(=O)N1CC(S(=O)(=O)CC)C1)[C@@H]1CCCO1 854004508 SRDYFUMUPPVTBZ-RYUDHWBXSA-N 300.380 -0.004 30 20 DBED C#CCNC(=O)[C@@H](C)OC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O 856683657 HEIXTILLXFNNCO-RFAUZJTJSA-N 321.333 -0.612 30 20 DBED COC(=O)CN(CC#N)C(=O)[C@@H](CO)NC(=O)OC(C)(C)C 859481799 JVBXSXKUKKZZIX-SECBINFHSA-N 315.326 -0.603 30 20 DBED C#CC[C@@H](CCOC)NC(=O)CN1CCN(CC)C(=O)C1=O 863788544 AXSMDNYLVAUHDU-LBPRGKRZSA-N 309.366 -0.778 30 20 DBED N#Cc1cc(N2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)ccn1 912020858 VRFDAEPLMVLYOD-ZIAGYGMSSA-N 322.390 -0.767 30 20 DBED COCCCNC(=O)[C@H](C#N)C(=O)Cn1ccc([N+](=O)[O-])n1 917423623 XNIBIGAFLBDRLV-SECBINFHSA-N 309.282 -0.347 30 20 DBED CN(C)C(=O)CN1[C@H]2CC[C@H]1CC(NC(=O)NCC#CCO)C2 923770179 UAIYRXFXFZNNSF-KBPBESRZSA-N 322.409 -0.635 30 20 DBED CN(C[C@H]1CCCN(C(=O)NCC#CCO)C1)S(C)(=O)=O 923770293 UXNYYNCVZHJIAX-GFCCVEGCSA-N 317.411 -0.705 30 20 DBED N#Cc1cc(C(=O)N2CC[C@H](NC(=O)Cc3nc[nH]n3)C2)c[nH]1 938899151 OVZYGRQPPOOSSC-JTQLQIEISA-N 313.321 -0.422 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2nnc(O)nc2O)[C@@H](C)C1 942306358 XGRHGKRJHAKVFS-VHSXEESVSA-N 305.338 -0.254 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(CC1)CN(C(=O)[C@@H]1CCNC1=O)C2 945035685 RHWHVMMOOFXGPK-NWDGAFQWSA-N 318.377 -0.267 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)CN2CCNC(=O)C2)C[C@@H]1C 947620904 QROMNOXABBQTAA-KBPBESRZSA-N 308.426 -0.037 30 20 DBED C=CCn1cc(C(=O)N(CC)C2CN(CC(=O)N(C)C)C2)nn1 952424989 AHJUYEORHVPIPM-UHFFFAOYSA-N 320.397 -0.301 30 20 DBED C[C@H](C#N)C(=O)N1CC(N(C)C(=O)c2nnn(C(C)(C)C)n2)C1 954471114 YQWUPSCNWJMHSE-SECBINFHSA-N 319.369 -0.129 30 20 DBED COCC(=O)N1CCN([C@H]2CCN(C(=O)[C@@H](C)C#N)C2)CC1 956575857 MQJKOCRRSLCGBA-STQMWFEESA-N 308.382 -0.462 30 20 DBED CC#CCN1C[C@H](CNC(=O)c2cnc3n2CCOC3)[C@@H](O)C1 958153408 UDXIXJHPUPRJKR-JSGCOSHPSA-N 318.377 -0.541 30 20 DBED N#CCN1C[C@@H](O)[C@@H](CNC(=O)c2ccc3nc(O)[nH]c3c2)C1 958448245 MXURUFDKNOQPTP-GXFFZTMASA-N 315.333 -0.185 30 20 DBED Cc1ncc(C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2O)[nH]1 961902529 VYNFWLMJOAEKLX-OLZOCXBDSA-N 302.334 -0.567 30 20 DBED C=CCN1C[C@H]2[C@H](NC(=O)Cn3nc4n(c3=O)CCCC4)[C@H]2C1 962240205 MMBHULSARJIFBE-JYAVWHMHSA-N 317.393 -0.387 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2[C@@H]3CN([C@H](CC)C(N)=O)C[C@@H]32)nc1 962337966 BAMARIVSMRUBTN-OSRDXIQISA-N 312.373 -0.013 30 20 DBED C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2cnc(O)n(C)c2=O)C1 967700116 FVRIZVHIVWEZOH-DGCLKSJQSA-N 318.377 -0.051 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)c1ncn(C)n1 968961817 WCAVHCJBBFJJEW-GARJFASQSA-N 302.338 -0.210 30 20 DBED Cc1nn(C)c(F)c1C(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1O 969672682 VQDOUWUFLVQPDF-SFGNSQDASA-N 323.328 -0.671 30 20 DBED C=CCCN1CCO[C@@]2(CCN(C(=O)[C@@H]3COC(=O)N3)C2)C1 972357513 LBKSHNGTPTYUHQ-WFASDCNBSA-N 309.366 -0.026 30 20 DBED C=C(C)CN1CCO[C@]2(CCN(C(=O)c3nnn(C)n3)C2)C1 972506016 HTVCNZSLOJOZDE-CQSZACIVSA-N 306.370 -0.297 30 20 DBED CC1(C)CN(CC#N)C[C@@H]1NC(=O)[C@H]1CCc2nnnn2CC1 975066046 TXRMMAIHNFHXFV-RYUDHWBXSA-N 317.397 -0.024 30 20 DBED O=C1NCC[C@@H]1C(=O)NC[C@@H]1CCCN(C(=O)C#CC2CC2)C1 975439998 VDJDKHBJFSCBKA-KBPBESRZSA-N 317.389 -0.109 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)[C@H]3CCN(C)C(=O)C3)[C@H]2C1 976795180 AUYZSOAIAGTTJV-ZXPJVPCYSA-N 318.377 -0.413 30 20 DBED Cn1cc(C(=O)N[C@H]2[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]32)nc1O 977129086 GDUUZZXPHOZEOG-YABSGUDNSA-N 314.345 -0.274 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)C(N)=O 977795749 OGYCWRKVBWOJFO-TUAOUCFPSA-N 309.366 -0.488 30 20 DBED COCCN1C[C@@H](C(=O)N2CCCN(CC#N)CC2)CC1=O 981276977 UXXDTESMTNIJSE-ZDUSSCGKSA-N 308.382 -0.461 30 20 DBED CN1C[C@H](C(=O)NC[C@@H]2CCN(C(=O)C#CC3CC3)C2)CC1=O 982743144 VUWQZRZKJQALOG-UONOGXRCSA-N 317.389 -0.157 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2CCC[C@@H](NC(=O)C(N)=O)C2)cn1 983670883 CHYZHTFXOJWCFP-QWHCGFSZSA-N 314.345 -0.295 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H](N(C)C(=O)Cn2nccn2)C1 984599432 UMCSXQYJXKCJHY-RYUDHWBXSA-N 304.354 -0.113 30 20 DBED O=C(N[C@@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1O)c1ncccn1 991718186 OHAZIODICDLGEF-OLZOCXBDSA-N 314.345 -0.418 30 20 DBED CC#CCN1CCC[C@H](NC(=O)Cn2nc(C)n(C)c2=O)[C@@H]1C 994332046 UBZFWQKAOSUKQQ-JSGCOSHPSA-N 319.409 -0.117 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)c3cnnn3CC)C2)nc1 997087040 DPUFXCHLCGFNHZ-UHFFFAOYSA-N 324.344 -0.071 30 20 DBED COc1cc(C(=O)N2CCN(C(=O)[C@H](C)C#N)CC2)ncn1 1011177105 ASVYNGUZJMHZGT-SNVBAGLBSA-N 303.322 -0.071 30 20 DBED C#Cc1ccc(C(=O)N2C[C@@H]3C(NC(=O)c4cnn[nH]4)[C@H]3C2)cn1 1013379633 MVYIJYDICSWCFC-RYUDHWBXSA-N 322.328 -0.319 30 20 DBED Cc1nonc1CC(=O)NC1[C@H]2CN(C(=O)C#CC3CC3)C[C@H]12 1013698575 DRWHNFWFGVACCI-RYUDHWBXSA-N 314.345 -0.093 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@@H](N[C@@H]2CCCNC2=O)C1 1022220804 QKKCIBRHSYLWRI-BARDWOONSA-N 318.421 -0.401 30 20 DBED O=C(N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O)c1cncc(F)c1 1023369272 LSLFXYFOEQOONE-ZIAGYGMSSA-N 317.320 -0.064 30 20 DBED CCCn1nccc1C(=O)N[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1O 1024018836 FBMBOVAQOJGISW-NQBHXWOUSA-N 319.365 -0.246 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN(Cc2csnn2)C1 1030462178 KJJAZEWMMKSREZ-ZDUSSCGKSA-N 305.407 -0.064 30 20 DBED C=CCN1CC[C@H](N2CC(CNC(=O)[C@@H]3[C@H]4COC[C@H]43)C2)C1=O 1031912320 KXQBPXSUOXRFKU-LJISPDSOSA-N 319.405 -0.286 30 20 DBED N#CCN1CCO[C@@H](CNC(=O)c2ccc3nn[nH]c3n2)C1 1035392647 YHTMQWUGZKSNCQ-VIFPVBQESA-N 301.310 -0.693 30 20 DBED C#CCCN1CCO[C@H](CNC(=O)c2cccc(=O)n2C)C1 1035501778 KZTHTFBNJRUBTO-CYBMUJFWSA-N 303.362 -0.161 30 20 DBED C#CCN[C@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C[C@@H]1CC 1037844756 LKQBOGCZRGWFRN-RYUDHWBXSA-N 318.381 -0.773 30 20 DBED C=CCN[C@H]1CCN(C(=O)CN2CC(=O)NC2=O)C[C@H]1CC 1037939628 HMLIWOBTSMXPCD-NEPJUHHUSA-N 308.382 -0.059 30 20 DBED N#CCN1[C@H]2CCC[C@H]1CN(C(=O)C1CC(=O)NC(=O)C1)C2 1039944220 ZSLNBFDVNLQZLN-RYUDHWBXSA-N 304.350 -0.372 30 20 DBED CCn1cc(C(=O)N2CC[C@](O)(CNC(=O)[C@@H](C)C#N)C2)nn1 1040759215 GDOCHAWDIGOHDL-HZMBPMFUSA-N 320.353 -0.849 30 20 DBED C=CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)CCCOC)C1 1041674741 KRXLBYFBNSZGAV-GFCCVEGCSA-N 314.382 -0.306 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)CC(=O)NCC2CC2)C1 1041960653 SNMNAGWDMDLXOR-UHFFFAOYSA-N 323.393 -0.442 30 20 DBED N#Cc1c[nH]c(C(=O)NCC2(O)CN(C(=O)CC3CC3)C2)c1 1042401106 JHICXKRMGOGYDU-UHFFFAOYSA-N 302.334 -0.010 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)c2ccnc(O)c2)C1 1042510077 LIKSGAYDRTXSQM-UHFFFAOYSA-N 317.345 -0.250 30 20 DBED CCn1nnc(C)c1C(=O)NCC1(O)CN(C(=O)[C@@H](C)C#N)C1 1043363267 OXUVSMWNFLKGSJ-VIFPVBQESA-N 320.353 -0.931 30 20 DBED Cc1nn(C)c(C)c1C(=O)NCC1(O)CN(C(=O)[C@@H](C)C#N)C1 1044135588 XWVDDZJGGTZAQT-VIFPVBQESA-N 319.365 -0.500 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)[C@H]2C[C@@H](C)CO2)C1 1044557797 PVYNZLPEFPHTAQ-CHWSQXEVSA-N 308.378 -0.096 30 20 DBED Cc1c[nH]c(C(=O)N[C@@H]2CN(c3ccc(C#N)nc3)C[C@@H]2O)n1 1044634365 YVLPSLYHKVEASP-OLZOCXBDSA-N 312.333 -0.036 30 20 DBED Cc1nocc1C(=O)NCC1(O)CN(C(=O)CSCC#N)C1 1045531340 CXUUCSIQPCKUTD-UHFFFAOYSA-N 324.362 -0.457 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@@]23CCOC3)C1 1046583098 ALDDZZPNYQSMDA-XJKSGUPXSA-N 320.389 -0.238 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)CCc2cnn[nH]2)C1 1046804591 SFYQTLGGSGWDLV-UHFFFAOYSA-N 319.365 -0.914 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2cn3c(n2)CCC3)C1 1047384628 DLZMCVDJUADGHU-KBPBESRZSA-N 302.378 -0.030 30 20 DBED C=CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)N2CCOCC2)C1 1047653084 FLGZREYYGHMHJQ-KKUMJFAQSA-N 311.426 -0.213 30 20 DBED C[C@@H]1CCN(C(=O)C(N)=O)[C@H](CNc2nccnc2C#N)C1 1048317548 UPXLHPARYJJMHK-ZJUUUORDSA-N 302.338 -0.127 30 20 DBED C=CCOCC(=O)N(C)[C@H]1CN(C(=O)Cc2ncc[nH]2)C[C@@H]1O 1048557323 AKOVNPGITFLYGQ-RYUDHWBXSA-N 322.365 -0.815 30 20 DBED CCOCC1(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)C#N)C2)CC1 1049401256 CKNGJNDDXFPDLI-AVGNSLFASA-N 323.393 -0.007 30 20 DBED C[C@H](NC(=O)CCNC(N)=O)[C@H]1CCN(C(=O)C#CC2CC2)C1 1050674297 YSAZFLBXJCJTNJ-AAEUAGOBSA-N 320.393 -0.189 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](C)[C@@H](CNC(=O)Cn2ncnn2)C1 1052553053 GBWWBNKPIDWQRM-OLZOCXBDSA-N 318.381 -0.457 30 20 DBED CCn1cc(C(=O)NC[C@H]2CCC3(CN(CC#N)C3)O2)nn1 1053680145 YJZACLYNCJOBGR-LLVKDONJSA-N 304.354 -0.215 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)[C@H]3CN(C)C[C@@H](C)O3)CO2)C1 1053844032 BSBXWEJZMFOVPB-RBSFLKMASA-N 321.421 -0.312 30 20 DBED Cn1oc(C(=O)N2CCN(c3ccc(C#N)nn3)CC2)cc1=O 1055780593 GZCHKCYMBUXQES-UHFFFAOYSA-N 314.305 -0.398 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@](CO)(NC(=O)c2cnco2)C1 1056023151 KOEMUGXUTORXQC-QMTHXVAHSA-N 306.322 -0.082 30 20 DBED Cn1cc(C(=O)NC2[C@H]3CN(c4ccc(C#N)nn4)C[C@H]23)cn1 1056135475 PLVXVVCZCDJMRQ-RYUDHWBXSA-N 309.333 -0.054 30 20 DBED CCn1ncc(C(=O)NC2[C@H]3CN(c4ccnc(C#N)n4)C[C@H]23)n1 1056200079 BPLYJAANUBMZSF-UWVGGRQHSA-N 324.348 -0.176 30 20 DBED CC[C@@H](F)C(=O)NCCN(CCO)C(=O)CSCC#N 1057030394 PILPUCRFPFNBKP-SNVBAGLBSA-N 305.375 -0.072 30 20 DBED N#Cc1ccc(N2CCCN(C(=O)[C@@H]3CCC(=O)N3)CC2)nn1 1057162161 XDIAERHTANGQNY-LBPRGKRZSA-N 314.349 -0.334 30 20 DBED N#Cc1cncc(N2CCC(NC(=O)[C@H]3COCCO3)CC2)n1 1057840754 RDQFULRXIBEFTJ-CYBMUJFWSA-N 317.349 -0.151 30 20 DBED C#Cc1ccc(C(=O)N(CCO)CCNC(=O)[C@@H](C)OC)cn1 1058240308 MWPABRIUVOTCSS-GFCCVEGCSA-N 319.361 -0.352 30 20 DBED C=CCCCC(=O)N(CCO)CCNC(=O)c1c[nH]c(=O)cn1 1058625033 TTYWBAFYHXXPPP-UHFFFAOYSA-N 322.365 -0.323 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)Cc1ccnn1C 1058653251 QEJJIHMBMAJYOC-NSHDSACASA-N 307.354 -0.941 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)[C@@]1(C)CCCOC1 1058654740 GPWRTEIQOBMNGT-WFASDCNBSA-N 311.382 -0.100 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)Cc1ncccc1F 1058663555 WKPZACUNBLTMKM-LLVKDONJSA-N 322.340 -0.140 30 20 DBED C=C1CC(C)(C(=O)N(CCO)CCNC(=O)CNC(C)=O)C1 1058769810 IJMBFDKVZLHFFJ-UHFFFAOYSA-N 311.382 -0.584 30 20 DBED C=C1CC(C)(C(=O)N(CCO)CCNC(=O)c2cnon2)C1 1058771008 NNZRLOJFWQGWJF-UHFFFAOYSA-N 308.338 -0.023 30 20 DBED CN1CCOC[C@@H]1C(=O)N1CC[C@H](Nc2cnc(C#N)cn2)C1 1058854486 FBPMOEQHESMDCS-WCQYABFASA-N 316.365 -0.308 30 20 DBED N#Cc1nccc(N2CC[C@@H]3[C@H](CCCN3C(=O)C(N)=O)C2)n1 1059540740 XWIAUVLLYWKTOP-GHMZBOCLSA-N 314.349 -0.349 30 20 DBED N#Cc1cnc(NC[C@@H]2CCN(C(=O)Cn3cnnn3)C2)cn1 1060803771 RTHDFWZKOQWWBF-JTQLQIEISA-N 313.325 -0.705 30 20 DBED NC(=O)NCC(=O)N1CC2(CCN(C(=O)C#CC3CC3)CC2)C1 1060893437 FEUAKWQFBYPDDR-UHFFFAOYSA-N 318.377 -0.481 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCOC[C@@H]1CNC(=O)c1cc[nH]n1 1061328009 ICFQABGQUZQYIG-NHYWBVRUSA-N 322.365 -0.306 30 20 DBED C=CCCC(=O)NC[C@H]1COCCN1C(=O)[C@H](C)CC(N)=O 1061402004 PUKGXGJVHVSMHW-NEPJUHHUSA-N 311.382 -0.192 30 20 DBED CC(C)C#CC(=O)NC[C@H]1COCCN1C(=O)C1=COCCO1 1061558422 PWSRAUCYKTVZIX-ZDUSSCGKSA-N 322.361 -0.122 30 20 DBED CN(C(=O)c1cnn(C)n1)[C@@H]1CCN(c2cnc(C#N)cn2)C1 1062955319 QJHMDWJHPPIKQO-LLVKDONJSA-N 312.337 -0.172 30 20 DBED N#Cc1ccc(N2CCO[C@H](CNC(=O)c3nc[nH]n3)C2)cn1 1063639099 LYHDUENXOFSJFD-GFCCVEGCSA-N 313.321 -0.293 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)Cc2ccon2)CCO1 1064996730 GPZWMGVTTCEAGS-CYBMUJFWSA-N 323.349 -0.237 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CN(C(=O)c2ccnc(O)c2)CCO1 1065040492 LNNFXVGBTKYNFF-CMPLNLGQSA-N 318.333 -0.096 30 20 DBED C#CCCCC(=O)N1CCO[C@H](CNC(=O)[C@@H]2CCNC2=O)C1 1065090382 JSTRUPJNMUUNIT-CHWSQXEVSA-N 321.377 -0.730 30 20 DBED O=C(C#CC1CC1)N1CCO[C@@H](CNC(=O)[C@@]2(F)CCOC2)C1 1065136865 IILXDTFIADIVKJ-XJKSGUPXSA-N 324.352 -0.128 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CCCN(C(=O)CCNC(N)=O)CC1 1066480606 FYKGEFOHTYLJLU-WDEREUQCSA-N 309.370 -0.298 30 20 DBED Cc1nsc(NCC2(O)CCN(C(=O)C(N)=O)CC2)c1C#N 1067485284 VLBXPSDVVDBIMZ-UHFFFAOYSA-N 323.378 -0.426 30 20 DBED N#Cc1nccc(N2C[C@H](CNC(=O)c3ccncc3)[C@@H](O)C2)n1 1067643118 QCDYVXFLAQZQOG-STQMWFEESA-N 324.344 -0.030 30 20 DBED N#Cc1nccnc1N1C[C@@H](O)[C@@H](CNC(=O)c2cc[nH]c2)C1 1067695499 LKIBCDSOUWMJFJ-WCQYABFASA-N 312.333 -0.097 30 20 DBED COCC(=O)N1CC[C@@]2(C1)CN(c1nccnc1C#N)CCO2 1068074981 LQEMIFCSWNACPX-OAHLLOKOSA-N 317.349 -0.198 30 20 DBED C=CCCC(=O)N1CC2(C1)CN(C(=O)c1nc[nH]n1)CCO2 1068425998 ZNXBJJCBXLFSAK-UHFFFAOYSA-N 305.338 -0.176 30 20 DBED C=CCOCC(=O)N[C@H]1COC2(C1)CN(C(=O)[C@@H]1CCCO1)C2 1068764286 NOUIRNYAAWXHIZ-OLZOCXBDSA-N 324.377 -0.146 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2coc(C)n2)C1 1069911571 YCIHLNXYOIISJR-YPMHNXCESA-N 300.322 -0.137 30 20 DBED N#CCN1C[C@H]2C[C@H]3CN(C(=O)[C@@H]4CCC(=O)NC4)C[C@@]3(C1)O2 1070819153 WQSSGTPGKPYUEM-OQMKEHIESA-N 318.377 -0.662 30 20 DBED C#CCN1CCN([C@H]2CCCN(C(=O)c3cnn[nH]3)C2)C(=O)C1 1071267905 SKJIQOXBVSCEJP-LBPRGKRZSA-N 316.365 -0.813 30 20 DBED C#CCOCCC(=O)N1C[C@@H](NC(=O)C2(C(N)=O)CC2)[C@H](C)C1 1072102987 YZBWRHHFOGQINO-VXGBXAGGSA-N 321.377 -0.745 30 20 DBED C[C@H]1CN(C(=O)Cc2nc[nH]n2)C[C@H]1NC(=O)C#CC1CC1 1072777706 HJGAKHTZLBKIRO-CMPLNLGQSA-N 301.350 -0.276 30 20 DBED C#CCN1CCC2(C1)CN(C(=O)CN1CC(=O)N(C)C1=O)C2 1073124287 GDMGQNMSSSVZJG-UHFFFAOYSA-N 304.350 -0.952 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)[C@@H]2CN(C(C)=O)CCO2)C1 1073876619 HWZCPWJPXSKPRC-GJZGRUSLSA-N 323.393 -0.926 30 20 DBED Cn1cc(CC(=O)N2CC[C@H]3OCCN(CC#N)[C@@H]3C2)cn1 1074195702 YWTBWORDGQAFIW-ZIAGYGMSSA-N 303.366 -0.212 30 20 DBED C=CCOCC(=O)NCC1(O)CCN(C(=O)c2cc[nH]n2)CC1 1074489334 ZGUONGWKNHZOEJ-UHFFFAOYSA-N 322.365 -0.304 30 20 DBED CC(C)C#CC(=O)N1CC[C@H](NC(=O)Cn2cnnn2)C[C@@H]1C 1074808591 RISXJOYACQZJMC-STQMWFEESA-N 318.381 -0.172 30 20 DBED C#CCOCCC(=O)N[C@@H](C)CCNC(=O)[C@H](C)NC(C)=O 1075505816 NKFDSWXCVXFDQX-RYUDHWBXSA-N 311.382 -0.438 30 20 DBED C[C@@H](CCNC(=O)CSCC#N)NC(=O)[C@@H]1CCC(=O)N1 1075677246 WXDULNRAESQZTQ-UWVGGRQHSA-N 312.395 -0.467 30 20 DBED C[C@@H](CCNC(=O)c1c[nH]c(C#N)c1)NC(=O)Cc1nc[nH]n1 1076216492 CKIFZLPCFAFJLG-VIFPVBQESA-N 315.337 -0.128 30 20 DBED C=C[C@](C)(O)CC(=O)NCC[C@H](C)NC(=O)c1cnn(C)n1 1076300959 ZFGWFBSTIKOPQI-HZMBPMFUSA-N 309.370 -0.233 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H](C)CCNC(=O)c1cnn(CC)n1 1076381183 JNSZVLLLEWNVHG-NWDGAFQWSA-N 321.381 -0.039 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2cnn(CC(F)(F)F)c2)C1 1077140815 GFFLESSNBRSRCJ-NXEZZACHSA-N 317.271 -0.256 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 1077220826 VRHMYYDBOALFCC-KBUPBQIOSA-N 311.426 -0.167 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)CN2C(=O)Cc3ccccc32)C1 1077739309 MBDBLMLVTOXONO-TZMCWYRMSA-N 314.345 -0.739 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)c2cnn3c(=O)cc[nH]c23)C1 1077796852 YYMYBHRZNXFKRU-VXGBXAGGSA-N 317.349 -0.626 30 20 DBED C[C@@H](CCNC(=O)C(C)(C)S(C)(=O)=O)NC(=O)[C@H](C)C#N 1078636054 MKHHDNLUKPWUQT-ZJUUUORDSA-N 317.411 -0.020 30 20 DBED CCN(C(=O)c1cnnn1C)C1CN(C(=O)CSCC#N)C1 1079699871 BPMCDCHXJYLUJJ-UHFFFAOYSA-N 322.394 -0.255 30 20 DBED C#CCNC(=O)CC(=O)N1CC(N(CC)C(=O)c2cc[nH]c2)C1 1079904164 ROSULLYPQQABDH-UHFFFAOYSA-N 316.361 -0.173 30 20 DBED C#Cc1ccc(C(=O)N2C[C@H](O)[C@H](CNC(=O)C(F)F)C2)cn1 1081153464 WWHPYKUVLLEZCA-PWSUYJOCSA-N 323.299 -0.123 30 20 DBED Cn1ccc(C(=O)N2C[C@H](O)[C@H](CNC(=O)C#CC3CC3)C2)c1 1081472359 XPDAVBCJEXNATG-CABCVRRESA-N 315.373 -0.012 30 20 DBED CO[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@H]1NC(=O)C(N)=O 1082086546 CXIJLFFBNLOYSZ-CHWSQXEVSA-N 302.334 -0.641 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cnc(O)n1C 1083163726 SYJZVNCUNFREDM-QWHCGFSZSA-N 304.350 -0.326 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CCC(=O)N1C(C)C 1083174056 PMLPZUCLLWRJBZ-SOUVJXGZSA-N 319.405 -0.069 30 20 DBED C=CCn1cccc1C(=O)N[C@@H]1CN([C@H](C)C(=O)NC)C[C@@H]1O 1083526492 VCXOBSUWCUWCLE-BZPMIXESSA-N 320.393 -0.417 30 20 DBED CCN(c1ccc(C#N)nn1)[C@H](C)CNC(=O)C1(C(N)=O)CC1 1089740524 VFKTZHRFEPEFRK-SNVBAGLBSA-N 316.365 -0.055 30 20 DBED N#CCN1CC[C@H](NC(=O)c2nccn3ccnc23)[C@@H](O)C1 1090582057 UZSKTRCGTFARIT-QWRGUYRKSA-N 300.322 -0.582 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2ccc(N(C)C)nn2)[C@H](O)C1 1090733932 IJGGBZIUAQOJHT-GXTWGEPZSA-N 317.393 -0.269 30 20 DBED N#Cc1c[nH]ccc1=NC1CC(CNC(=O)CCNC(N)=O)C1 1092218397 FLXBDQHSAVTEEI-UHFFFAOYSA-N 316.365 -0.260 30 20 DBED N#Cc1cncc(NC2CC(CNC(=O)C3(C(N)=O)CC3)C2)n1 1092258816 CEWAMVPDWGEYTP-UHFFFAOYSA-N 314.349 -0.080 30 20 DBED Cn1nnc2c(NCCNC(=O)c3cc(C#N)c[nH]3)ncnc21 1093540396 YZPJYVSRGVNFRX-UHFFFAOYSA-N 311.309 -0.200 30 20 DBED C#CCN1CC(OC2CCN(C(=O)CCn3cnnn3)CC2)C1 1093588267 JDQOHQSGCNPENX-UHFFFAOYSA-N 318.381 -0.612 30 20 DBED N#Cc1cccnc1NCCNC(=O)CC[C@@H]1NC(=O)NC1=O 1093624568 PZCBIPSDTHYMNJ-JTQLQIEISA-N 316.321 -0.530 30 20 DBED N#Cc1nccnc1NCCNC(=O)[C@@H]1CCc2nncn2C1 1093669232 ZJCREUSMBDQNMO-SNVBAGLBSA-N 312.337 -0.270 30 20 DBED COc1c(C(=O)NCCNc2cncc(C#N)n2)cnn1C 1093790056 JSQVHAHHBJXBNQ-UHFFFAOYSA-N 301.310 -0.068 30 20 DBED CC#CCN1CCN(C(=O)CSC)[C@@H]2CS(=O)(=O)C[C@@H]21 1094603909 SXXIXPYFEJDTJW-NWDGAFQWSA-N 316.448 -0.318 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)CN3CCCC3)CC2=O)C1 1094816918 HIANQCVHIXRTLJ-ZDUSSCGKSA-N 304.394 -0.883 30 20 DBED N#CCN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1CC(=O)NC(=O)C1)C2 1095017359 ZIKWTKZQJYHTJX-WCQGTBRESA-N 304.350 -0.468 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](N=c2cc[nH]cc2C#N)C1 1095035375 XXZVGOXZDLTUIY-CYBMUJFWSA-N 311.345 -0.473 30 20 DBED CC(=O)NCC(=O)N1CC[C@H](N(C)c2nccnc2C#N)C1 1095088241 NZIQMWVCBDWOIP-NSHDSACASA-N 302.338 -0.479 30 20 DBED CCC(=O)N[C@@H](C)C(=O)N[C@H]1C[C@@H](N=c2cc[nH]c(C#N)n2)C1 1097262021 FYDNJKFERATTMY-GARJFASQSA-N 316.365 -0.256 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CCCS1(=O)=O)Nc1nccnc1C#N 1097884225 XYULGGYAWVINEU-ONGXEEELSA-N 323.378 -0.158 30 20 DBED Cc1nc(CC(=O)N2CCC(N(CC#N)CCO)CC2)n[nH]1 1098363843 COKXHKHVUBZGLP-UHFFFAOYSA-N 306.370 -0.536 30 20 DBED CNC(=O)CN1CCC2(CC1)CN(C(=O)[C@@H](C)C#N)C[C@@H](C)O2 1098574458 LRDSLVZEERQYHW-QWHCGFSZSA-N 322.409 -0.026 30 20 DBED C[C@@H](CCNC(=O)CS(C)(=O)=O)Nc1cncc(C#N)n1 1098854122 VPBGCXXLNOMGME-VIFPVBQESA-N 311.367 -0.300 30 20 DBED Cn1ccc(CN2CC[C@H](NC(=O)CSCC#N)[C@@H](O)C2)n1 1099690226 LSCROUUICZQADY-STQMWFEESA-N 323.422 -0.272 30 20 DBED CC(C)(C)/C=C\C(=O)N[C@@H]1CCN(CC(=O)NCC#N)C[C@H]1O 1099747355 WIEKEHQRUMRIFM-FSMZVQOTSA-N 322.409 -0.220 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)Cc2cc(C)[nH]n2)[C@@H](O)C1 1099760009 CEAYDJLVYCPUMC-CABCVRRESA-N 320.393 -0.538 30 20 DBED N#CCN1CC[C@H](NC(=O)CCC(=O)NC2CCCC2)[C@@H](O)C1 1100046153 HHIFRFMYSVUERQ-KBPBESRZSA-N 322.409 -0.100 30 20 DBED N#CCN1CC[C@@H](NC(=O)CCOC2CCOCC2)[C@H](O)C1 1100071391 CUDOOKIRQBLMFL-ZIAGYGMSSA-N 311.382 -0.353 30 20 DBED C=CCCCN1CC[C@@H](NC(=O)c2ccc(=O)n(C)n2)[C@@H](O)C1 1100096585 JQSOUTNYIDTGMR-OCCSQVGLSA-N 320.393 -0.089 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)c2c[nH]cc2C)[C@H](O)C1 1100107763 LISHEIROMPIPMA-UONOGXRCSA-N 320.393 -0.210 30 20 DBED Cc1ccc(C#N)c(N(C)CCNC(=O)[C@H]2CCNC2=O)n1 1100268466 APESGWRPTMOKIO-LBPRGKRZSA-N 301.350 -0.050 30 20 DBED COCC#CCNC1CC(CNC(=O)CCCCNC(N)=O)C1 1100486117 QYANBMJBWLASQH-UHFFFAOYSA-N 324.425 -0.041 30 20 DBED COCC#CCNC1CC(CNC(=O)c2cnc(O)n2C)C1 1100563782 VQMIHYGZJZNTQO-UHFFFAOYSA-N 306.366 -0.127 30 20 DBED C#CCCNC1CC(CNC(=O)[C@@H](C)NS(C)(=O)=O)C1 1100705486 HRGKVFVIMMYNSM-VOMCLLRMSA-N 301.412 -0.568 30 20 DBED C=CCNC1CC(CNC(=O)CN2C(=O)NC(C)(C)C2=O)C1 1100943006 SPGGTFLYMPYUNY-UHFFFAOYSA-N 308.382 -0.013 30 20 DBED CN(CCNc1nccnc1C#N)C(=O)CNC(=O)C1CC1 1101506017 JWTAJQPZHBCQTQ-UHFFFAOYSA-N 302.338 -0.255 30 20 DBED COC(=O)c1nc(=NCCN(C)C(=O)C#CC2CC2)cc[nH]1 1101595077 DVKJZQSQCLQAQS-UHFFFAOYSA-N 302.334 -0.031 30 20 DBED C[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1CNC(=O)C#CC1CC1 1101951633 ZVDGFTBLNGRENG-ZYHUDNBSSA-N 306.366 -0.721 30 20 DBED C#CCN1C[C@@H](C)[C@H](CCNC(=O)CN2CC(=O)NC2=O)C1 1103544251 HWMJELRHGYXBOF-VXGBXAGGSA-N 306.366 -0.754 30 20 DBED CCNC(=O)CCC(=O)N(C)[C@@H](C)CN=c1cc[nH]c(C#N)n1 1104514348 WABOYZHOYVMOAO-NSHDSACASA-N 318.381 -0.055 30 20 DBED N#CCSCC(=O)N1CC(n2cc(CNCCCO)nn2)C1 1105169478 IBUHCCTXMOALFS-UHFFFAOYSA-N 324.410 -0.610 30 20 DBED C=C1CC(C)(C(=O)N2CC(n3cc(CNCC(N)=O)nn3)C2)C1 1105324100 RPYVGQWAALLCPM-UHFFFAOYSA-N 318.381 -0.407 30 20 DBED C#CCNCc1cn(C2CN(C(=O)CCc3cnn[nH]3)C2)nn1 1105329878 CCMVXUOSUFCWMF-UHFFFAOYSA-N 314.353 -0.865 30 20 DBED CN(CCN(C)c1cncc(C#N)n1)C(=O)CCCC(N)=O 1105419299 QLLHYTGYYLTENF-UHFFFAOYSA-N 304.354 -0.102 30 20 DBED CSC[C@H](C)C(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1 1105750285 JLTRYFUGKOINCV-VHSXEESVSA-N 309.395 -0.342 30 20 DBED COCCOCC(=O)NC[C@H](O)CNc1nc(C)cc(C#N)n1 1105773566 JQZJHDKBBFWHPB-LBPRGKRZSA-N 323.353 -0.791 30 20 DBED Cc1cc(C(=O)NC[C@@H](O)CN=c2cc[nH]cc2C#N)cnn1 1105812445 CPQGJUNBCDIPMX-ZDUSSCGKSA-N 312.333 -0.324 30 20 DBED Cc1ccc(C#N)c(NC[C@H](O)CNC(=O)Cn2nccn2)n1 1105986190 WESXWOLDWCRLKL-GFCCVEGCSA-N 315.337 -0.558 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H](O)CNC(=O)Cc1cncs1 1105994007 WTLSWGLIGFKTPQ-LLVKDONJSA-N 317.374 -0.037 30 20 DBED Cc1ccnn1CC(=O)NC[C@@H](O)CNc1cncc(C#N)n1 1106133308 IPWSORSYUWHUME-LBPRGKRZSA-N 315.337 -0.558 30 20 DBED C#CCNC(=O)CC(=O)N(CC)CCNc1nccnc1C#N 1106730332 SJTLXGYRVFSVRH-UHFFFAOYSA-N 314.349 -0.252 30 20 DBED C=CCn1cc(C(=O)N2C[C@@H](C)[C@H](CN[C@@H](C)C(N)=O)C2)nn1 1106743792 UGOOJGTUXAMQLK-GRYCIOLGSA-N 320.397 -0.364 30 20 DBED C[C@@H](C(=O)NC/C=C\CNc1cnc(C#N)cn1)S(C)(=O)=O 1107576588 OFCGZTJGHIAETA-XOULXFPDSA-N 323.378 -0.134 30 20 DBED C[C@]1(CNC(=O)C=C2CCC2)CN(CC(=O)NCC#N)CCO1 1107862694 WMSZORDMBVTHIO-INIZCTEOSA-N 320.393 -0.056 30 20 DBED C[C@H](CNc1ccc(C#N)nn1)NC(=O)[C@@]1(C)CNC(=O)C1 1108016711 MOFGKSZKQYHDQA-YMTOWFKASA-N 302.338 -0.209 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)[C@]2(C)CCC(=O)NC2)C1 1108153318 NCERZPFVATWGGA-CVEARBPZSA-N 307.394 -0.257 30 20 DBED C[C@H](CNc1ncccc1C#N)NC(=O)c1nnc(O)nc1O 1108208889 TVFLOGPWSQHWDU-SSDOTTSWSA-N 315.293 -0.220 30 20 DBED C=CCOCC(=O)N1C[C@H]2C[C@@H](NCc3nnn(C)n3)C[C@H]1C2 1108649237 GRAXVMXPSCRALB-YNEHKIRRSA-N 320.397 -0.118 30 20 DBED C[C@H](CN(C)c1cncc(C#N)n1)NC(=O)CNC(=O)C1CC1 1108833288 FSJVBVNRUIRMMA-SNVBAGLBSA-N 316.365 -0.185 30 20 DBED CC(=O)N[C@@H](C)C(=O)N[C@]1(C)CCN(c2cnc(C#N)cn2)C1 1110717187 QSAYOKQAGMCPRZ-ZUZCIYMTSA-N 316.365 -0.042 30 20 DBED N#Cc1c[nH]ccc1=NCCN(CCO)C(=O)c1cnon1 1111494992 TUEKANHCPCSXIP-UHFFFAOYSA-N 302.294 -0.695 30 20 DBED N#Cc1ccc(NC2(CNC(=O)CNC(N)=O)CCC2)nn1 1111762260 JVVVXELRUQDROU-UHFFFAOYSA-N 303.326 -0.533 30 20 DBED C#CCNC(=O)CC(=O)N1CCO[C@H](CNc2ncccn2)C1 1111940782 UVNNUSDQKJANLL-GFCCVEGCSA-N 317.349 -0.745 30 20 DBED C[C@@H](N=c1cc[nH]c(C#N)n1)[C@@H](C)NC(=O)CN1CCCC1=O 1112905968 UNEPNNQQGUIKNG-GHMZBOCLSA-N 316.365 -0.302 30 20 DBED C[C@H](CNC(=O)[C@H]1CCC(=O)NC1)N(C)c1ccnc(C#N)n1 1113961236 ISRMSFIDYVXBNW-MNOVXSKESA-N 316.365 -0.185 30 20 DBED C[C@@H]1CCN(c2ccncc2C#N)C[C@H]1NC(=O)CNC(N)=O 1113998178 UUUMVSHYXOBUIP-ZYHUDNBSSA-N 316.365 -0.047 30 20 DBED COCCc1noc(CN2C[C@H]3C(NC(=O)[C@@H](C)C#N)[C@@H]3C2)n1 1114063958 KDRLFXAGVGTSOT-HBNTYKKESA-N 319.365 -0.035 30 20 DBED CCCn1nnnc1CN1C[C@H]2C(NC(=O)[C@H](C)C#N)[C@@H]2C1 1114067642 UXPDLPGLKQUWBX-GMTAPVOTSA-N 303.370 -0.211 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@H]1[C@@H]2CN(CC(=O)N(C)C3CC3)C[C@@H]21 1114189158 KARNRWGFRXSCRJ-OSRSDYAFSA-N 321.421 -0.019 30 20 DBED C=C[C@](C)(O)CC(=O)NC1[C@H]2CN(CC(=O)NCCC)C[C@H]12 1114195019 ZGPVIBXVWXMUOK-MKBNYLNASA-N 309.410 -0.114 30 20 DBED N#Cc1nccnc1N1CCCCC[C@@H]1CNC(=O)C(N)=O 1114377544 LIPCLIBEQCQVHR-SNVBAGLBSA-N 302.338 -0.301 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)C3(CCF)CC3)[C@H]2C1 1114613894 TYDWZADHJSQHCO-IMRBUKKESA-N 307.369 -0.078 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)Cc3cnoc3)[C@H]2C1 1114725104 YMDBXFWLKBKREP-RYUDHWBXSA-N 302.334 -0.987 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NC1[C@H]2CN(CCCO)C[C@H]12 1114934676 CGHOYHLZGFOWMW-IHRRRGAJSA-N 309.410 -0.114 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)[C@@H]3CCCC(=O)N3C)[C@@H]2C1 1115182613 OSXKJYPMXUEIGT-MCIONIFRSA-N 319.405 -0.307 30 20 DBED CNC(=O)CC(=O)NCCOCCN(C)c1ccc(C#N)nn1 1115195901 OFUIYALYFKHWMC-UHFFFAOYSA-N 320.353 -0.947 30 20 DBED C[C@H](CN(C)C(=O)[C@@H]1COCCN1C)Nc1cncc(C#N)n1 1115682082 GQOITGZRRROUKN-YPMHNXCESA-N 318.381 -0.062 30 20 DBED CN1CCN(C)[C@@H](CNC(=O)C(=O)NCC2(CC#N)CC2)C1 1117318697 YTGZTTBNNQZHIX-LBPRGKRZSA-N 307.398 -0.842 30 20 DBED N#C[C@]1(F)CCN(C(=O)C(=O)N[C@H]2C[C@@H]3CCCCN3C2=O)C1 1118104227 VYCROPNBKZWOQH-ZIBATOQPSA-N 322.340 -0.280 30 20 DBED C[C@H](CNC(=O)C(=O)N1CC[C@](O)(CC#N)C1)N(C)C1CC1 1118217681 ZQGCNTDULXHOTB-IAQYHMDHSA-N 308.382 -0.538 30 20 DBED C[C@@H]1COCCN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1 1120463609 NJFHVSILAZJKJA-JSGCOSHPSA-N 320.393 -0.320 30 20 DBED Cc1cc(C#N)nc(N[C@@H](CO)CNC(=O)[C@@H]2CCCN2C)n1 1121239430 BLIKQHUAJPGMPU-OLZOCXBDSA-N 318.381 -0.360 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)CN2CCOCC2)cn1 1121347219 XWKKUSDKRSRWIP-AWEZNQCLSA-N 319.365 -0.826 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@H](CO)Nc1ncnc2[nH]cnc12 1121405110 KQYUAIMATDCZOK-LKFCYVNXSA-N 320.353 -0.431 30 20 DBED CC(C)[C@@H](C(=O)NC[C@H](CO)Nc1cncc(C#N)n1)N(C)C 1121838644 JLPNSQDCGQCKIF-OCCSQVGLSA-N 320.397 -0.177 30 20 DBED Cc1cc(C#N)nc(N[C@H](CO)CNC(=O)c2c[nH]nc2C)n1 1122292060 DGLFZUDTPQQPJD-NSHDSACASA-N 315.337 -0.109 30 20 DBED C=CCn1cc(C(=O)NC[C@H](CO)Nc2cc(F)ncn2)nn1 1122637897 YKRYSNGQYXCXIC-SECBINFHSA-N 321.316 -0.404 30 20 DBED Cc1nnccc1C(=O)NC[C@H](CO)Nc1ccc(C#N)nn1 1122851506 ZSFJVGGQVLBTAF-LLVKDONJSA-N 313.321 -0.351 30 20 DBED C[C@H]1C[C@@H](Nc2ccc(C#N)nn2)CN1C(=O)CCNC(N)=O 1123230274 HQOIGUHNRKPQHC-GXSJLCMTSA-N 317.353 -0.192 30 20 DBED CN(C[C@H](O)CNc1ccc(C#N)nc1)C(=O)Cc1nc[nH]n1 1124499112 RKFMUEVKARIAMW-GFCCVEGCSA-N 315.337 -0.455 30 20 DBED N#Cc1ccc(C(=O)NCCNC[C@@H](O)Cn2cccn2)[nH]1 1125819114 SKSYFYLKVMWUND-GFCCVEGCSA-N 302.338 -0.537 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)Cc1nnc(C)o1 1126663943 OTNWBXQVOQPRAK-UHFFFAOYSA-N 322.369 -0.612 30 20 DBED C#CCO[C@@H](C)C(=O)NCCNCC1CCS(=O)(=O)CC1 1127046324 PUTUNLPCOSINAK-LBPRGKRZSA-N 316.423 -0.445 30 20 DBED COCC#CCNCc1nnc2n1CC[C@H](NC(C)=O)CC2 1127910708 UFBLRHXQUAKVBI-CYBMUJFWSA-N 305.382 -0.142 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@@H](C)Cn1ccc(C)n1 1128194459 JSNTZFPEXQGANJ-JSGCOSHPSA-N 319.409 -0.329 30 20 DBED C=CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)CNC(C)=O)C1 1128646863 IWPQDOLAMFLWRQ-OLZOCXBDSA-N 306.370 -0.668 30 20 DBED C=CCOCCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H](C)OC)C1 1128780731 VSOIBPGEOIOKIX-MCIONIFRSA-N 323.397 -0.143 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(CCCO)C[C@@H]1n1ccnn1 1128812223 RTWDPQHVZLXXEB-OLZOCXBDSA-N 309.370 -0.795 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CCN(CC(C)C)C1 1129328387 PDIGAKAPTYFOJY-CABCVRRESA-N 322.453 -0.192 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)[C@H]2CCCC(=O)N2)C1=O 1130035413 UOTBASHUPKYGPT-NEPJUHHUSA-N 308.382 -0.852 30 20 DBED CC#CCN[C@@H]1CN(C(=O)c2ccn(C)n2)C[C@@H]1n1ccnn1 1130122968 FLGVEBMJSUSXJJ-KGLIPLIRSA-N 313.365 -0.310 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)[C@@H]2COCCN2CC)C1=O 1130614994 HHJWBCGOGJVHOD-KGLIPLIRSA-N 324.425 -0.800 30 20 DBED CCC(=O)N[C@H](C)C(=O)N1C[C@H]2C[C@@H]3CN(CC#N)C[C@]2(C1)O3 1131230561 LLXMNHXZAWCKRA-BRXULGCHSA-N 320.393 -0.274 30 20 DBED C[C@@H]1CN(C(=O)CCCC(N)=O)C[C@]2(CCN(CC#N)C2)O1 1131703465 BZGJKAZLJGWLTM-IUODEOHRSA-N 308.382 -0.143 30 20 DBED C[C@@H]1CC[C@@H](NC(=O)C2=COCCO2)CN1CC(=O)NCC#N 1131776769 WIZFRLRLEDJNKP-VXGBXAGGSA-N 322.365 -0.517 30 20 DBED C[C@@H]1CC[C@H](NC(=O)c2cnnn2C)CN1CC(=O)NCC#N 1132005765 CAMVRAASXFAYJS-MNOVXSKESA-N 319.369 -0.962 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)[C@@H](COC)OC 1133513410 PRHHYMHBVJPVBX-CYBMUJFWSA-N 313.398 -0.446 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)CCc1cnn[nH]1)NCC(=O)NCC#N 1135496987 OTNGKTJKZPTPGX-WDEREUQCSA-N 321.385 -0.750 30 20 DBED COCC#CCN1CCC2(C1)CN(C(=O)C(=O)NCC1CC1)C2 1148511858 PLKTUFYBEYUIHJ-UHFFFAOYSA-N 319.405 -0.303 30 20 DBED C=CCCN1CCCO[C@@H](CNC(=O)C[C@@H]2CC(=O)NC2=O)C1 1150833737 ZBGHHZQKMRZMOM-OLZOCXBDSA-N 323.393 -0.178 30 20 DBED C#CCN1CCC(C(=O)NCCN[C@@H]2CCN(CC)C2=O)CC1 1152329881 CWHOSWFVWBTECW-OAHLLOKOSA-N 320.437 -0.342 30 20 DBED C#CCN1CCC(C(=O)NCCN[C@@H]2CCCNC2=O)CC1 1152334560 HOAOPNQOZSCOLB-CQSZACIVSA-N 306.410 -0.684 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)CCn1cncn1 1154706594 NMMCGFURDHYBJM-LBPRGKRZSA-N 308.386 -0.545 30 20 DBED C#CCNC(=O)CC(=O)NCCCN[C@@H](C)c1nncn1C 1156848333 YISULNQXLKFMNH-NSHDSACASA-N 306.370 -0.889 30 20 DBED CC#CCN(CC)[C@H](C)CNC(=O)[C@H]1CCS(=O)(=O)N1 1156948842 ATIVNJOHEDKMHP-VXGBXAGGSA-N 301.412 -0.472 30 20 DBED CCN(CC)C[C@H](F)C(=O)NCCCNCC(=O)NCC#N 1159155864 VLDHKIUDHXXWIK-LBPRGKRZSA-N 315.393 -0.598 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)[C@]1(CC)CCNC1=O 1160280548 MAPGWWICUHSVGH-WBMJQRKESA-N 324.425 -0.311 30 20 DBED C#CCCN1CCC(CNC(=O)[C@H]2CCNC2=O)(COC)CC1 1162392344 JYZOUUPSKQWYDH-AWEZNQCLSA-N 321.421 -0.009 30 20 DBED C[C@@H](C#N)C(=O)NCCC1(CNCc2nc(=O)n(C)[nH]2)CC1 1163854030 IJUUDZXCJAJFOY-JTQLQIEISA-N 306.370 -0.356 30 20 DBED C#CCNC(=O)CNCC1(CCNC(=O)[C@@H](CC)N(C)C)CC1 1165718509 KZDXSPWMPNAJSA-CQSZACIVSA-N 322.453 -0.048 30 20 DBED C#CCNC(=O)CNCCCNC(=O)C[C@@H](C)n1ccnc1 1167424618 CBYVEWYKNTZSFE-CYBMUJFWSA-N 305.382 -0.321 30 20 DBED COCC#CCNCCCC[C@H](C)NC(=O)Cn1cnnc1O 1170319536 RGRCASPHZRMMCT-ZDUSSCGKSA-N 323.397 -0.102 30 20 DBED C=CCNC(=O)CNCCCC[C@H](C)NC(=O)CC(=O)NC 1170363317 LHRDHEJAXOLJKP-LBPRGKRZSA-N 312.414 -0.311 30 20 DBED C[C@@H](CCCCNCC(=O)NCC#N)NC(=O)c1ccncn1 1175776652 KXTVRYUEEQNWCE-LBPRGKRZSA-N 318.381 -0.005 30 20 DBED CNC(=O)NC(C)(C)C(=O)N1CC[C@@H]2OCCN(CC#N)[C@@H]2C1 1177156524 JTDBICDGZOVSCB-NEPJUHHUSA-N 323.397 -0.481 30 20 DBED C=CCCOCC(=O)NCCCNCCNS(C)(=O)=O 1177260803 WOTYTQZWYGOXQV-UHFFFAOYSA-N 307.416 -0.776 30 20 DBED N#CCNC(=O)CNCCCNC(=O)CCc1cscn1 1177322031 YKAFEKUBOFJDBH-UHFFFAOYSA-N 309.395 -0.189 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](NCCCS(=O)(=O)N(C)C)C1 1181661481 HNGMKAODTICMNL-VXGBXAGGSA-N 316.427 -0.382 30 20 DBED C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H]1CCN(C(=O)CC(N)=O)C1 1181779940 OONFEILEMJXTTF-QWHCGFSZSA-N 324.425 -0.135 30 20 DBED CC(C)N1CCC[C@H]1C(=O)N1CC[C@@H](NCC(=O)NCC#N)C1 1182472962 MGUYEGCLTTXWLA-KGLIPLIRSA-N 321.425 -0.311 30 20 DBED C=CCOCCN[C@@H]1CCN(C(=O)CCN2C(=O)CCC2=O)C1 1184049971 QONWGFLCNVDLGR-CYBMUJFWSA-N 323.393 -0.081 30 20 DBED C#CCNC[C@@H]1CCN(C(=O)Cn2nc(C)n(C)c2=O)C[C@H]1C 1185594565 FPHUSVDTPOLGNN-OCCSQVGLSA-N 319.409 -0.402 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H]2CCN(C(=O)c3cnon3)[C@@H]2C1 1189492825 YYSVQGQWGAQINY-NTZNESFSSA-N 317.349 -0.646 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](N(C)[C@@H](C)C(=O)NC(N)=O)C1 1190113455 JKHPMFUYZWJGHV-NWDGAFQWSA-N 324.381 -0.858 30 20 DBED C=C(C)CN1C[C@@H]2CCN(C(=O)CS(=O)(=O)NC)[C@@H]2C1 1190227504 LYZFUHKXOLYGQM-NWDGAFQWSA-N 301.412 -0.356 30 20 DBED CCn1nncc1CN1C[C@@H](O)[C@H](NC(=O)CSCC#N)C1 1191162210 OPYPIRLSWJGNBN-VXGBXAGGSA-N 324.410 -0.784 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(CCCOCC)C[C@H]1O 1192547791 SXAVMGHJESEDAS-UMVBOHGHSA-N 300.399 -0.099 30 20 DBED C=CCCn1cc(C(=O)N2CC[C@H](N(C)CC(=O)NC)C2)nn1 1192767451 UZOYVDDDVQGEHM-LBPRGKRZSA-N 320.397 -0.254 30 20 DBED C#CCC1(C(=O)N[C@@H]2CN([C@@H](C)C(=O)N(C)C)C[C@H]2O)CCC1 1193691068 NBOVQVFVQJCFCG-BFHYXJOUSA-N 321.421 -0.182 30 20 DBED Cc1ocnc1C(=O)N1CCCN(CC(=O)NCC#N)CC1 1195053616 OVHVMWHESAAMMO-UHFFFAOYSA-N 305.338 -0.229 30 20 DBED C=CCCCN1C[C@@H](O)[C@H](NC(=O)C(=O)NCC(F)(F)F)C1 1197236361 QUARTKHOBGIYFF-NXEZZACHSA-N 323.315 -0.208 30 20 DBED Cn1cc(C(=O)N2CCCO[C@H](CNCC#N)C2)ncc1=O 1201024124 UKPWAXAOZMJWOC-LLVKDONJSA-N 305.338 -0.875 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)[C@]2(C)CCC(=O)N2)CCCO1 1201359020 GLSUHPQPAXKBRF-CJNGLKHVSA-N 307.394 -0.115 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)C2CC(=O)NC(=O)C2)CCCO1 1201630343 WQOCZHDXKQTJSO-CYBMUJFWSA-N 321.377 -0.730 30 20 DBED C=CCCOCC(=O)N1CCCO[C@@H](CN[C@@H](C)C(N)=O)C1 1202208407 NPVHUUDDDWNVFZ-STQMWFEESA-N 313.398 -0.340 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 1202575250 LDDHKYSWIVLSBM-KFWWJZLASA-N 319.405 -0.116 30 20 DBED C=CCN[C@@H]1C[C@H](NC(=O)CS(=O)(=O)NC)C12CCC2 1203743166 REXAYIKZMHBHSY-MNOVXSKESA-N 301.412 -0.261 30 20 DBED COCC#CCN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)Cc1nc[nH]n1)C2 1204872174 HQIZKIANSNIEBH-MGPQQGTHSA-N 317.393 -0.034 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2CCC(=O)N2C)C1 1209050320 CENCBAKSQIOXTK-STQMWFEESA-N 322.409 -0.510 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)CCC(=C)C)[C@H](OC)C1 1212346925 JJCPNTVXCHFCFQ-ZIAGYGMSSA-N 307.394 -0.093 30 20 DBED C#CCCN1C[C@@H](NC(=O)[C@H](C)CN2CCOCC2)[C@H](OC)C1 1213863527 NADYAHSLKGHKQQ-BZUAXINKSA-N 323.437 -0.207 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@H](C)NC(=O)c1ccco1 1213890718 ZOHSWBLYGXHOAH-DMDPSCGWSA-N 320.349 -0.263 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)CCC2CCC2)C1 1219438977 CVCPVYNXPKFTEK-YUELXQCFSA-N 321.421 -0.134 30 20 DBED C=C(C)C[C@H](C)C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@@H]1O 1220190767 XZFZJBVYAZANMZ-XQQFMLRXSA-N 308.382 -0.610 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)C[C@H]2CCN(C)C2)C1 1220755606 SAVHTXFWNHGLDF-KFWWJZLASA-N 309.410 -0.861 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@H]1CN(C)C(=O)c1ncc[nH]1 1234119939 SETPANHIOHLFRJ-NEPJUHHUSA-N 303.366 -0.306 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)NC[C@@H]1COC(C)(C)O1 1261961433 VHBWNAGYXAGIRU-NWDGAFQWSA-N 312.366 -0.201 30 20 DBED C#CCN(C)c1nnnn1C1CCN(S(=O)(=O)CC)CC1 1262433422 GLBYRIGCQASFKJ-UHFFFAOYSA-N 312.399 -0.271 30 20 DBED Cc1cc(NC(=O)C(=O)N2CCO[C@H](C#N)C2)cn(C)c1=O 1320841017 WLYVYLYHAQMBCF-LLVKDONJSA-N 304.306 -0.617 30 20 DBED C=CCSCCNC(=O)C(=O)NC[C@@H]1CC[C@H](C(N)=O)O1 1321939676 SJTGBNHJTRBYFW-VHSXEESVSA-N 315.395 -0.829 30 20 DBED C#CCSCCNC(=O)C(=O)N1CCOC[C@@H]1C[C@@H](C)O 1325314356 TZTMWJOZXLJSHI-NEPJUHHUSA-N 314.407 -0.533 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC2CCOCC2)C1=O 1325611716 HDSWTOOZXSCHNE-LBPRGKRZSA-N 309.366 -0.473 30 20 DBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C[C@@H]1CC(=O)N1 1328169757 FOKIUCOOFVTNAW-QWRGUYRKSA-N 314.349 -0.336 30 20 DBED C#C[C@@H](NC(=O)C(=O)N(C)Cc1cn(C)nn1)[C@H]1CCCO1 1329031999 WBTSLEUJCGRDSO-VXGBXAGGSA-N 305.338 -0.930 30 20 DBED N#Cc1cccc(NC(=O)C(=O)NCCN2CCCOCC2)n1 1329297688 DSNXCUFOGQXWMA-UHFFFAOYSA-N 317.349 -0.270 30 20 DBED C=C[C@@H]1CCCCN1C(=O)C(=O)N1C[C@@H](O)C[C@@H](C(=O)OC)C1 1329452862 FUBYKSXJXTXGGE-UPJWGTAASA-N 324.377 -0.064 30 20 DBED C[C@@H]1CN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)[C@H](C)CN1 1329454885 RGQVLMXRSORJOV-YRGRVCCFSA-N 319.409 -0.606 30 20 DBED C=C[C@H](CO)NC(=O)C(=O)Nc1ccc(OCCC(N)=O)cc1 1329787150 ZCMJJHUBVYLOJB-SNVBAGLBSA-N 321.333 -0.458 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N1CC[C@@H]2COC(=O)N[C@H]2C1 1332375940 HPBXLAQFGBQSBF-OLZOCXBDSA-N 317.345 -0.572 30 20 DBED C#CCNC(=O)C1CCN(C(=O)C(=O)NCCOC(C)C)CC1 1332599730 GGAFMRPHAFTISZ-UHFFFAOYSA-N 323.393 -0.484 30 20 DBED C#CCNC(=O)CN(C)C[C@@H](O)CN(C)C(=O)[C@H]1CC1(C)C 1332632445 JXWHYXXAPILMGA-CHWSQXEVSA-N 309.410 -0.467 30 20 DBED CO[C@H]1CCCN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)CC1 1333182781 UMIBJKJCDLUWNZ-WFASDCNBSA-N 309.366 -0.109 30 20 DBED C=CCn1c(CCOCC)nnc1N1CCO[C@H](C(N)=O)C1 1338749591 QVAZWBDYNQQZPD-NSHDSACASA-N 309.370 -0.266 30 20 DBED C#CCNCC(=O)N[C@H](C)c1ccc(S(=O)(=O)NC)cc1 1340632716 AJIPWMWLNQKYAU-LLVKDONJSA-N 309.391 -0.005 30 20 DBED C=C(C)COCCn1nnnc1N1CCS(=O)(=O)CC1 1344069274 KUUDROSTWNWQQW-UHFFFAOYSA-N 301.372 -0.499 30 20 DBED Cc1nc2n(n1)C[C@H](NC(=O)C(=O)N1CCC(C#N)CC1)CC2 1346026405 JUOFCAQFSCBGAD-GFCCVEGCSA-N 316.365 -0.220 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N(C)CC2(O)CCCC2)nn1 1349044898 GIGSQDDRQSVWNT-UHFFFAOYSA-N 321.381 -0.156 30 20 DBED C[C@@H]1C[C@H](CNC(=O)Cn2cc(C#N)c(O)nc2=O)CCO1 1362555001 KCNNVYQBCWAAJC-NXEZZACHSA-N 306.322 -0.248 30 20 DBED N#Cc1cn(CCNC(=O)c2n[nH]c3c2CCC3)c(=O)nc1O 1363287725 OKQFGPJJJZDHIP-UHFFFAOYSA-N 314.305 -0.538 30 20 DBED N#Cc1cn(CCNC(=O)C[C@H]2CCCOC2)c(=O)nc1O 1363482239 IXCMMCIQYKEHOH-SNVBAGLBSA-N 306.322 -0.247 30 20 DBED CCC[C@@H](C(=O)NCC1(C#N)CCOCC1)S(N)(=O)=O 1363698345 RZHQQKHTXHLGJQ-JTQLQIEISA-N 303.384 -0.120 30 20 DBED C[C@H](CNC(=O)[C@H](C)C#N)NC(=O)c1nc2ncccn2n1 1373061919 GSHZPHLPBCTATJ-RKDXNWHRSA-N 301.310 -0.482 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](C)NC(=O)C1(S(C)(=O)=O)CCC1 1373076651 WIEUYIWWTXAJLM-VHSXEESVSA-N 315.395 -0.266 30 20 DBED CCCN(CCNC(=O)[C@H](C)C#N)C(=O)CCS(C)(=O)=O 1398269773 KKCLMDZOEDROSB-LLVKDONJSA-N 317.411 -0.064 30 20 DBED COCCn1cc(C(=O)NC[C@H](C)NC(=O)[C@@H](C)C#N)nn1 1408168169 VLVHSUNEPFQWSU-UWVGGRQHSA-N 308.342 -0.681 30 20 DBED CC(=O)N[C@@H](C)C(=O)NCCN(C)C(=O)c1c[nH]c(C#N)c1 1408517609 OETHBYVUCGCLAU-VIFPVBQESA-N 305.338 -0.401 30 20 DBED CCc1ncncc1C(=O)N(C)C[C@@H](O)CNC(=O)[C@H](C)C#N 1413264540 KOCAPNLADAKTQO-MNOVXSKESA-N 319.365 -0.252 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1CC[C@H](NC(C)=O)C1 1413384325 YXWTXBJCAFGOED-LBPRGKRZSA-N 318.399 -0.696 30 20 DBED CCN(CCC#N)C(=O)CN1CC[C@H]1CNC(=O)CNC(C)=O 1423052334 UHTVBERDLXDKNN-ZDUSSCGKSA-N 323.397 -0.925 30 20 DBED C[C@@H]1CN(C(=O)CN[C@H]2C[C@@H](CNC(=O)[C@H](C)C#N)C2)CCO1 1440280081 XPXMKCGNJDUXRJ-SYQHCUMBSA-N 322.409 -0.122 30 20 DBED C[C@H](C#N)C(=O)NC1CN(C(=O)c2cnn3c2OCCC3)C1 1450496825 NNNNTWDPJQGLPR-SECBINFHSA-N 303.322 -0.234 30 20 DBED CC(=O)NCC(=O)N1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)C[C@H]1C 1451639456 KPVPCCSYFYWWQP-RNCFNFMXSA-N 317.349 -0.258 30 20 DBED N#Cc1cnc(C(=O)NC[C@H](O)Cn2ccnn2)c(Cl)c1 1468821830 UBCJQRQAGZSPCR-VIFPVBQESA-N 306.713 -0.011 30 20 DBED COc1ncccc1CN1CC(O)(CNC(=O)[C@H](C)C#N)C1 1484264017 HZSVMWGJNGKYKJ-LLVKDONJSA-N 304.350 -0.087 30 20 DBED CCCC[C@H](NC(N)=O)C(=O)N1CC(CNC(=O)[C@@H](C)C#N)C1 1498676960 HDLSCTQFTNTGOM-JQWIXIFHSA-N 323.397 -0.052 30 20 DBED CC(=O)NCC(=O)N1CC(CNC(=O)c2cc(C#N)c[nH]2)C1 1530727995 SQTNPDLTEZXKQV-UHFFFAOYSA-N 303.322 -0.789 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@@H](Nc2nccnc2-c2nn[nH]n2)C1 1573585693 IEIBBOYKPILGMH-XHNCKOQMSA-N 313.325 -0.125 30 20 DBED N#Cc1ccccc1N1CCN(C(=O)CC2(O)CNC2)CC1 1580080453 SVAWLXKFGRQAHQ-UHFFFAOYSA-N 300.362 -0.069 30 20 DBED C#C[C@@H]1CCCCN1C(=O)C(=O)N1C[C@H](C)O[C@H](C(=O)O)C1 1588381860 CAECYHBBPCLBEZ-TUAOUCFPSA-N 308.334 -0.299 30 20 DBED N#Cc1nc(N2[C@H]3CC[C@H]2CC(=O)NC3)cnc1-c1nn[nH]n1 1592704819 OVTIIFSXTYCSDM-YUMQZZPRSA-N 311.309 -0.614 30 20 DBED COC(=O)CCN(CC(=O)O)S(=O)(=O)CC(C)(C)C#N 1593842314 YYIBVBPDXMJPQO-UHFFFAOYSA-N 306.340 -0.184 30 20 DBED COC(=O)[C@H]1CN(C(=O)c2ccc(C#N)cn2)C[C@@H]1C(=O)O 1598817781 OGBUWBHBDIAYJM-UWVGGRQHSA-N 303.274 -0.101 30 20 DBED O=C(Cn1ccc(C=NO)nc1=O)NC1(C(=O)O)CCCCC1 1601386958 PBUWJHQRYHBJSH-UHFFFAOYSA-N 322.321 -0.045 30 20 DBED C#CCN(C(=O)[C@@H]1C[C@@H]1C(=O)O)C1CCN(C(=O)COC)CC1 1602711447 GWLDCCSLDUGWLP-OLZOCXBDSA-N 322.361 -0.194 30 20 DBED C#Cc1cncc(C(=O)N2CC(NC(=O)[C@@H]3C[C@@H]3C(=O)O)C2)c1 1602742894 CLPLFVGLDZFAMW-OLZOCXBDSA-N 313.313 -0.276 30 20 DBED N#Cc1ccc(S(=O)(=O)N2CCC([C@H](O)C(=O)O)CC2)o1 1608209484 GZPADEPEPCFAMT-NSHDSACASA-N 314.319 -0.003 30 20 DBED C#C[C@@H](C)NC(=O)NCCNc1ncccc1-c1nn[nH]n1 1609018690 DCZPFUDOTNQQSU-SECBINFHSA-N 300.326 -0.006 30 20 DBED CC(C)(C(=O)O)N1CCN(C(=O)C(=O)NCCCCC#N)CC1 1609650348 OMNUSMOUPOBQFW-UHFFFAOYSA-N 324.381 -0.196 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N1CCN(C)C[C@H](C(=O)O)C1 1609725579 INCXUGAKZPVXLW-MNOVXSKESA-N 318.399 -0.587 30 20 DBED Cc1oc(CNC(=O)C(=O)N2CCO[C@H](C#N)C2)cc1C(=O)O 1610583789 WMRCYGVURZTGCV-SNVBAGLBSA-N 321.289 -0.347 30 20 DBED N#Cc1c(N2CCCN(C(N)=O)CC2)cccc1S(N)(=O)=O 1649764264 OSNGSYIQQQXHNW-UHFFFAOYSA-N 323.378 -0.204 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)c2cnnc(O)c2)C1 1690666488 NMCXDEFDELICCK-JQWIXIFHSA-N 317.349 -0.876 30 20 DBED C#CCNC(=O)CN1CCC[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 1732091347 VSMKDTBNBONPAS-ZDUSSCGKSA-N 313.361 -0.170 30 20 DBED CNS(=O)(=O)CCC(=O)N1CCC[C@@H](CN(C)CC#N)C1 1752508042 LBJKHCATVMEGMR-LBPRGKRZSA-N 316.427 -0.380 30 20 DBED C=CCNC(=O)CN1CC[C@H](CNC(=O)CNC(=O)OC)C1 1753119858 PPFWREYZKBDSQH-LLVKDONJSA-N 312.370 -0.917 30 20 DBED C=CCCOCC(=O)N(C)[C@H]1CCN([C@@H]2CCC(=O)NC2=O)C1 1753449192 DPNFSXCWSYZXOY-QWHCGFSZSA-N 323.393 -0.083 30 20 DBED C[C@H](CNCC(=O)NCC#N)CNC(=O)Cc1cncs1 1753619941 GYAOBVHGNXZHJH-SNVBAGLBSA-N 309.395 -0.333 30 20 DBED COCC#CCNC[C@@H](C)CNC(=O)CCc1cnn(C)n1 1753631466 VZKVBVSKGBHGPE-CYBMUJFWSA-N 307.398 -0.261 30 20 DBED C#CCNC(=O)CNC[C@@H](C)CNC(=O)c1cnoc1CC 1753633815 JKESZOBPYJEPFP-LLVKDONJSA-N 306.366 -0.058 30 20 DBED C[C@H]1CN(C(=O)c2cc[nH]n2)CC[C@H]1NCC(=O)NCC#N 1753751417 QJMJIDZLVMZLBP-WDEREUQCSA-N 304.354 -0.510 30 20 DBED CCCc1cc(C(=O)N[C@@H](C)CNCC(=O)NCC#N)no1 1754289373 CXLSNHCURBEMRY-JTQLQIEISA-N 307.354 -0.025 30 20 DBED CCCc1cc(C(=O)NC[C@H]2CCN2CC(=O)NCC#N)n[nH]1 1754500103 KICVFWSAIZYWOH-GFCCVEGCSA-N 318.381 -0.194 30 20 DBED C#CCNC(=O)CNC[C@]1(C)CCN(C(=O)[C@@H](C)NC(C)=O)C1 1754688400 UUAWBPBWKUICSN-WBMJQRKESA-N 322.409 -0.911 30 20 DBED Cc1sc(=O)n(CC(=O)NC[C@]2(O)CCN(CC#N)C2)c1C 1754762568 SHVPYHVJGYVJPC-CQSZACIVSA-N 324.406 -0.397 30 20 DBED C#CCN1CCC[C@@](CO)(NC(=O)c2cc3n(n2)CCCO3)C1 1754855057 HCWHDJUWHINOTA-MRXNPFEDSA-N 318.377 -0.145 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(NCCN2CCNC2=O)CCC1 1754980561 IGSMGFRLILYQFE-CYBMUJFWSA-N 322.409 -0.322 30 20 DBED C#CCCCC(=O)N1CCO[C@H](CNCc2nc(=O)n(C)[nH]2)C1 1754999198 DMOIGIGLBVVGDR-GFCCVEGCSA-N 321.381 -0.771 30 20 DBED C=C(C)CN1CC(N2CCN(C(=O)CC(=O)NCC)CC2)C1 1755144505 HRVKCFPZSNDIHQ-UHFFFAOYSA-N 308.426 -0.083 30 20 DBED C[C@@H](CCCNCC(=O)NCC#N)NC(=O)[C@H]1CCCNC1=O 1755502843 XRAZZUZOOFFGST-RYUDHWBXSA-N 323.397 -0.973 30 20 DBED CC#CCN[C@@H](CO)CNC(=O)c1ccnc2c1CC(=O)N2 1755644296 TVCJWBRITOCSDX-SNVBAGLBSA-N 302.334 -0.720 30 20 DBED C=CCNC(=O)CN1CC[C@@]2(NC(=O)CC(N)=O)CCC[C@H]12 1755694601 ANYUJYSUBFPROH-NHYWBVRUSA-N 308.382 -0.723 30 20 DBED N#CCSCC(=O)NC[C@H]1C[C@H](NC(=O)C2(C(N)=O)CC2)C1 1756261265 FEMFLMRQNBAKNZ-MGCOHNPYSA-N 324.406 -0.480 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C[C@H](C)NC(=O)c1cnc(O)n1C 1756453555 QCAUHWDRFARHIQ-WDEREUQCSA-N 322.365 -0.259 30 20 DBED CC#CCCCC(=O)N[C@@H](CO)CNC(=O)[C@@H]1CCC(=O)N1C 1756542888 JYLKJYDKTUYXFY-OLZOCXBDSA-N 323.393 -0.606 30 20 DBED C#CCCCC(=O)N(C)C[C@@H](O)CNC(=O)c1csnn1 1756661386 YDTZMTSIHXFERI-JTQLQIEISA-N 310.379 -0.109 30 20 DBED CC#CCCCC(=O)N1C[C@H](O)[C@H](NC(=O)c2ncc[nH]2)C1 1757169871 FFEFOBYZETVYPU-NEPJUHHUSA-N 304.350 -0.095 30 20 DBED CC(C)C#CC(=O)N[C@H]1C[C@@H](CNC(=O)[C@H]2CN(C)C(=O)N2)C1 1757325384 CZHJZHZVIQWKRS-FRRDWIJNSA-N 320.393 -0.320 30 20 DBED CN(C)S(=O)(=O)c1ccc(NCCn2cnc(C#N)n2)nc1 1771700069 KSHGXDWAOQDSTP-UHFFFAOYSA-N 321.366 -0.093 30 20 DBED C=CCC(=O)N1CCO[C@]2(CCN(C(=O)CCNC(C)=O)C2)C1 1783191021 IJAFJQISTWXPMQ-INIZCTEOSA-N 323.393 -0.081 30 20 DBED N#CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3CC(O)C3)[C@H]2C1 1783999131 BSLOKBYCEKACMX-ASUPZPJHSA-N 321.377 -0.349 30 20 DBED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(=O)CC 1800479646 GTKXHUUNKXNETD-JJLQDPRZSA-N 306.362 -0.032 30 20 DBED CC(=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC#N)C2)C1 1834712616 PJIYZHOENLZUQH-OAHLLOKOSA-N 323.349 -0.664 30 20 DBED CNC(=O)CC(=O)N1CC2(CCCN2C(=O)C2(C#N)CC2)C1 1842806496 BZROZWYOJGURMN-UHFFFAOYSA-N 304.350 -0.370 30 20 DBED C#CC(=O)N1CCCC12CN(C(=O)[C@@H](C)CS(C)(=O)=O)C2 1845958132 WQHCVQUHEVBIMC-NSHDSACASA-N 312.391 -0.496 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](C)NC=O 1847806154 FHJPJNLCYROTQS-MQYQWHSLSA-N 321.377 -0.639 30 20 DBED C[C@H](CNS(=O)(=O)c1ccc(C#N)nc1)N1CCN(C)CC1 153262726 GFSOHXAIFFVUJN-GFCCVEGCSA-N 323.422 -0.133 30 20 DBED C=CC[C@@H](CO)NC(=O)CSCC(=O)N[C@@H](CO)CC=C 273470856 JSLVLWVENRZSSJ-TXEJJXNPSA-N 316.423 -0.174 30 20 DBED CC#CC[C@@H](NS(=O)(=O)N(CCOC)CCOC)C(=O)O 274938888 DSDSCXCSQXTNCH-LLVKDONJSA-N 322.383 -0.718 30 20 DBED O=C(NCC#CCO)c1ccc(S(=O)(=O)NC2CC2)cc1 282890610 KOJLVZVMHBCFHW-UHFFFAOYSA-N 308.359 -0.147 30 20 DBED C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C#N)cc2F)CC(=O)N1 296374404 YAMCLNJTKWPNGG-MRVPVSSYSA-N 304.281 -0.017 30 20 DBED Cn1cc(N2CCN(/C(O)=N/Cc3cnnn3C)CC2=O)cn1 329713686 RWEKQBZIOPOSAV-UHFFFAOYSA-N 318.341 -0.689 30 20 DBED CC1(C)NC(=O)CC[C@H]1N/C(O)=N/CCCS(C)(=O)=O 330426993 HBQKZXNDZYSAIA-SECBINFHSA-N 305.400 -0.018 30 20 DBED C[C@@H](C/N=C(/O)N1C[C@@H](O)C[C@H]1CO)CN1CCOCC1 331138030 WAZHNDHPQYHZQB-AVGNSLFASA-N 301.387 -0.704 30 20 DBED NS(=O)(=O)CC1CCN(/C(O)=N/CCn2cccn2)CC1 331284160 KLKFUKFROVLHHC-UHFFFAOYSA-N 315.399 -0.202 30 20 DBED C=CCN1CC[C@H](N2CC[C@@H](S(=O)(=O)NCC)C2)C1=O 332373847 DMAVNDDYZVAIBX-NEPJUHHUSA-N 301.412 -0.213 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CCNC(=O)[C@@H]1C(C)C 337054028 AAXSETNDUYHXTI-NSHDSACASA-N 302.400 -0.077 30 20 DBED CCC(CC)[C@@H](O)CNS(=O)(=O)N1CCO[C@@H](C#N)C1 337090666 JZJZXJSUYKAWLL-RYUDHWBXSA-N 305.400 -0.158 30 20 DBED C[C@@H]1CN(S(=O)(=O)N2CCO[C@H](C#N)C2)C[C@H](C2CC2)O1 337167254 CHKKSMLBITXKKH-RAIGVLPGSA-N 315.395 -0.045 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N(C)CC(=O)N1CCOCC1 337834665 XCVFMQVOKLAQPJ-NSHDSACASA-N 318.399 -0.744 30 20 DBED COCCN1CCN(S(=O)(=O)N(C)[C@@H](C)CC#N)CC1 337865137 NVRYPVOAOYDARH-LBPRGKRZSA-N 304.416 -0.271 30 20 DBED N#Cc1ccc(NCC(=O)N[C@@H]2CCCC[C@@H]2C(N)=O)nc1 345322567 FTHGPGGLCYSSRI-NWDGAFQWSA-N 301.350 0.525 30 20 DBED CCc1nn(C)cc1CNC(=O)NCCn1cnc(C#N)n1 345724511 CFQQTAFBGKMATJ-UHFFFAOYSA-N 302.342 -0.055 30 20 DBED COc1ccc(S(=O)(=O)NCC(=O)NCC#N)c(F)c1 352512610 PVMBYEPWFIRTAS-UHFFFAOYSA-N 301.299 -0.248 30 20 DBED C=CCN(CC=C)C(=O)C(=O)NCCNC(=O)c1cnccn1 358362429 XYQFOUJVBAMMAJ-UHFFFAOYSA-N 317.349 -0.477 30 20 DBED CC(C)(C)C(=O)N1CCO[C@H](C(=O)N2CC(O)(CC#N)C2)C1 366398740 JUKBMHXPPDEEDR-NSHDSACASA-N 309.366 -0.253 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N1CCN([C@@H]2CCOC2)CC1 369223600 GQBQGSMZYAZCHV-CHWSQXEVSA-N 316.427 -0.128 30 20 DBED C=CCCC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 376496728 YVJYHVKMWNJINC-NEPJUHHUSA-N 302.396 -0.433 30 20 DBED CN(CCC#N)S(=O)(=O)N1CCN(C[C@H]2CCOC2)CC1 408382812 SVOVSFWLDUTHJF-CYBMUJFWSA-N 316.427 -0.269 30 20 DBED Cc1cc(=Nc2cnn(CC(=O)NCCO)c2)c(C#N)c[nH]1 425236416 QCLJYBBEBJTMOH-UHFFFAOYSA-N 300.322 -0.268 30 20 DBED N#Cc1ccc(NCC(=O)NC[C@H](CO)[C@H]2CCOC2)nc1 435923447 OUWIZJGKJAGYEQ-QWHCGFSZSA-N 304.350 0.126 30 20 DBED CNS(=O)(=O)CCNC(=O)C(=O)Nc1cccc(C#N)c1C 443768385 DKZPBHNLNIKCGL-UHFFFAOYSA-N 324.362 -0.529 30 20 DBED C#CCN1CCN(C(=O)CN[C@@H]2CCC[C@H]2C(=O)NC)CC1 491165036 HXDUVKOFNHRXFL-ZIAGYGMSSA-N 306.410 -0.732 30 20 DBED C#CCNC(=O)CN1CCN([C@@H](C)c2nc(COC)no2)CC1 491675103 LNIWOHDNLGZHPS-LBPRGKRZSA-N 321.381 -0.356 30 20 DBED COc1cc(C#N)ccc1NC(=O)C(=O)NC[C@@H](O)CN(C)C 546002375 GTZLHFPGOUDFKQ-LLVKDONJSA-N 320.349 -0.456 30 20 DBED CC(C)(C#N)CCS(=O)(=O)NC[C@H]1CC[C@H](C(N)=O)O1 569411469 JRXZDDHQRCYTOO-NXEZZACHSA-N 303.384 -0.121 30 20 DBED C[C@H](O)CCNC(=O)CNS(=O)(=O)c1cccc(C#N)c1 589453247 GMFNQRXIYPFIQD-JTQLQIEISA-N 311.363 -0.276 30 20 DBED N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@H]2CCNC2)cc1 592466002 SRRXFHXLDRYJSE-NSHDSACASA-N 308.363 -0.685 30 20 DBED N#CC1(CS(=O)(=O)N2C[C@@H]3COC[C@]3(C(=O)O)C2)CC1 594683922 LTEGGQSZCXKMGQ-BXKDBHETSA-N 300.336 -0.347 30 20 DBED C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C#N)CO 597750021 SFPHUKOXUOPIRY-PSASIEDQSA-N 306.278 -0.286 30 20 DBED CNS(=O)(=O)CCN1CCN(c2nccnc2C#N)C[C@@H]1C 598591784 BSORQKPBRCOSCB-NSHDSACASA-N 324.410 -0.592 30 20 DBED CS(=O)(=O)NC1CN(C(=O)CNc2ccc(C#N)cn2)C1 600328061 XBJPAPOFARSZIO-UHFFFAOYSA-N 309.351 -0.875 30 20 DBED CC#CC[C@H](CO)NC(=O)c1ccc(S(=O)(=O)NC)nc1 649183762 ZTRDKVHFXFDDQP-LLVKDONJSA-N 311.363 -0.506 30 20 DBED CC#CC[C@H](CO)NC(=O)c1cnc2nc(O)nc(O)c2c1 649190333 YHQDHTKAXFAFQZ-SECBINFHSA-N 302.290 -0.060 30 20 DBED COCCOc1cccc(C=NNC(=S)NCC(N)=O)c1 731929928 NOXKRVIPJFKMJR-UHFFFAOYSA-N 310.379 -0.005 30 20 DBED C[C@@H](CS(C)(=O)=O)C(=O)O[C@H](C)C(=O)N(C)CCC#N 747082869 WXZCPBUUDOJPPP-VHSXEESVSA-N 304.368 -0.029 30 20 DBED CNS(=O)(=O)c1cc(C(=O)OCC(=O)NCC#N)c(C)o1 751743925 GPDYKUQJKCANPI-UHFFFAOYSA-N 315.307 -0.707 30 20 DBED COCC(=O)N(C)CC(=O)[C@@H](C#N)C(=O)Nc1ccccn1 759237744 UUZZHPCMZITYJA-SNVBAGLBSA-N 304.306 -0.166 30 20 DBED C#CCNS(=O)(=O)c1ccc(C(=O)O[C@H]2CCNC2=O)cc1 769977869 SZQILFBFRIDSTG-LBPRGKRZSA-N 322.342 -0.357 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1cc(OC)n(C)n1 772637733 GBVJZOMAWSTROG-QMMMGPOBSA-N 310.310 -0.014 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N[C@H]1CCC[C@@H]1C(=O)NC 783017508 UZMBNSYRVGZJMT-QWRGUYRKSA-N 317.411 -0.199 30 20 DBED CC(C)(C)OC(=O)CS(=O)(=O)CCN1CCOC[C@@H]1C#N 808736430 CPURHQLFJGYANF-NSHDSACASA-N 318.395 -0.033 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCCN(C(C)=O)CC1)[C@@H]1CCCO1 809307321 CJDASTWVZNIVTD-KBPBESRZSA-N 321.377 -0.636 30 20 DBED C#CCN1CCC(C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)O)CC1 819700797 ITFIXDQKLMYDRI-LBPRGKRZSA-N 323.393 -0.231 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)NC[C@@H]1CC(=O)N(CC)C1 829757524 QXOXKRRDBODJNG-ZDUSSCGKSA-N 323.393 -0.531 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)c2nocc2C)CC1 831585086 SFNQHLBCPMDTKX-UHFFFAOYSA-N 312.351 -0.792 30 20 DBED C#C[C@H](NC(=O)N1CCN([C@H]2CCNC2)CC1)[C@@H]1CCCO1 841879956 UKCGADDPWCUPCA-KKUMJFAQSA-N 306.410 -0.144 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)C(C)(C)CNC(C)=O)CC1 845431540 DFOGVTQPXGNDMF-UHFFFAOYSA-N 322.409 -0.958 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)[C@H]1CCCS1(=O)=O 848858995 CBOKPADFPLWTCN-MRVPVSSYSA-N 304.324 -0.881 30 20 DBED C[C@@H]1CN(C(=O)C(=O)Nc2cnn(CC#N)c2)C[C@@]1(C)CO 850707113 OUVJZHHHUQBWKM-YGRLFVJLSA-N 305.338 -0.178 30 20 DBED COc1ccc(CNC(=O)C(=O)N(C)CCCN)cc1C#N 851685772 GIRPXKHIOKNTKR-UHFFFAOYSA-N 304.350 -0.010 30 20 DBED C=C[C@H](CO)NC(=O)CN(C)C1=NS(=O)(=O)c2ccccc21 856274871 FJYHXGWZHKUJLR-SNVBAGLBSA-N 323.374 -0.270 30 20 DBED C#CCC[C@H](O)CNC(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1 861519047 DTYGQBDUBAPASC-AAEUAGOBSA-N 304.350 -0.337 30 20 DBED Cc1cc(=NN=Cc2c(N(C)C)n(C)c(=O)n(C)c2=O)cc[nH]1 863159351 MYJQGBXWTXPBKU-UHFFFAOYSA-N 316.365 -0.279 30 20 DBED CNS(=O)(=O)CC(=O)N1CCN(c2ccc(C#N)cc2)CC1 870096462 NWBWUDUEKJYBPW-UHFFFAOYSA-N 322.390 -0.244 30 20 DBED C=CCN(C(=O)CN1CCOC1=O)[C@@H]1CCS(=O)(=O)C1 874126435 PQVIDJKCPMNMIE-SNVBAGLBSA-N 302.352 -0.360 30 20 DBED C#CC1(O)CN(C(=O)NCc2cccc(N3CCOCC3)n2)C1 894282871 ABMXAHLENBTEES-UHFFFAOYSA-N 316.361 -0.192 30 20 DBED CC(C)[C@@H](C#N)N1CCN(C(=O)[C@@H]2OCCN(C)C2=O)CC1 900480376 NMUIEGPSZZWVTC-CHWSQXEVSA-N 308.382 -0.464 30 20 DBED C#CCN1CCC[C@H](NC(=O)CCN2CCCS2(=O)=O)C1 923586368 QDBGDHBRVYRCOE-ZDUSSCGKSA-N 313.423 -0.374 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2COC[C@H]2C)C1=O 932090162 WMNAFNZYASPLKR-UTUOFQBUSA-N 309.366 -0.617 30 20 DBED C#CC1(O)CN(CC(=O)N[C@H](C(=O)NC)c2ccccc2)C1 934445026 JFQOLFBBHVBHTG-AWEZNQCLSA-N 301.346 -0.730 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)Cn1ccccc1=O 937151331 OWMDWRVSWYZRCS-AVGNSLFASA-N 314.345 -0.180 30 20 DBED COc1cc(C(=O)N[C@@H]2CCN(C(=O)[C@H](C)C#N)C2)ncn1 940617208 UQFXGGQNDACYFF-NXEZZACHSA-N 303.322 -0.024 30 20 DBED C[C@@]1(C(=O)N[C@@H]2CCN(C(=O)C#CC3CC3)C2)CCNC1=O 942423437 RJVUIVIBOOGVNG-MLGOLLRUSA-N 303.362 -0.357 30 20 DBED Cn1oc(C(=O)N[C@@H]2[C@H]3C[C@H]2N(C(=O)C#CC2CC2)C3)cc1=O 947018954 KDQKGNVWDGYILY-FIXISWKDSA-N 315.329 -0.279 30 20 DBED N#Cc1c[nH]c(C(=O)N2C[C@H]3C[C@H]2[C@@H]3NC(=O)c2cnon2)c1 947822397 BSCDDDTVKBVEHJ-JFUSQASVSA-N 312.289 -0.088 30 20 DBED C#CCCN1CC[C@@H](NC(=O)Cn2c(O)nnc2O)C[C@H]1C 947979078 AFDZHUSYDADFPW-GHMZBOCLSA-N 307.354 -0.318 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(NC(=O)[C@]2(C)CCC(=O)N2)CC1 948097251 YUBLVTMPIOXNDB-BONVTDFDSA-N 306.366 -0.078 30 20 DBED C#CCCN1CCC[C@H](N(C)C(=O)Cn2ncn(C)c2=O)CC1 948565383 DPWHIRZEMXYIKZ-AWEZNQCLSA-N 319.409 -0.082 30 20 DBED C#CCN1CCOC2(CCN(C(=O)[C@H]3CC[C@@H]3C(N)=O)CC2)C1 949430667 ZINRKXZEVKKXET-KBPBESRZSA-N 319.405 -0.176 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@H]2COCCO2)C1 953776988 DIVPWLQIMIXOBR-HZSPNIEDSA-N 324.377 -0.338 30 20 DBED CC(=O)N1CC[C@@H](C(=O)N(C)C2CN(C(=O)[C@@H](C)C#N)C2)C1 955004497 WIXIZBKVPYMKOS-CMPLNLGQSA-N 306.366 -0.316 30 20 DBED N#CCN1C[C@H](O)[C@H](CNC(=O)c2ccc3c(c2)NC(=O)C3)C1 958082597 ZCJSFSUWPHZTJQ-OCCSQVGLSA-N 314.345 -0.273 30 20 DBED CC(=O)N1CCC(C(=O)NC[C@H]2CN(CC#N)C[C@@H]2O)CC1 958657888 QCLZHSKWZAEFIT-KBPBESRZSA-N 308.382 -0.823 30 20 DBED C=CCCN1C[C@H](CNC(=O)c2c[nH]c(C(N)=O)c2)[C@@H](O)C1 958683115 DMNSITJBWXPVHL-AAEUAGOBSA-N 306.366 -0.288 30 20 DBED C#CCN1C[C@H](CNC(=O)c2c(OC)ncnc2OC)[C@@H](O)C1 958759141 VFGFHYWKOCXZBU-QWRGUYRKSA-N 320.349 -0.851 30 20 DBED COCC(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cc(C#N)c[nH]1 960192478 ODWGAGVOGDJNAL-QWHCGFSZSA-N 318.333 -0.415 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@H](NC(=O)c2n[nH]c(C)c2O)C1 962321970 ZGDJBULHPFOALP-ZJUUUORDSA-N 322.365 -0.063 30 20 DBED C=C(C)CCN1C[C@H]2[C@H](NC(=O)CN3C(=O)CNC3=O)[C@H]2C1 962487712 ZYYIUYOUJNJUCI-YABSGUDNSA-N 306.366 -0.449 30 20 DBED CC#CCN1CC[C@H](C)[C@@H](NC(=O)C2CC(=O)NC(=O)C2)C1 968417555 GDGREYCVBGTDOP-AAEUAGOBSA-N 305.378 -0.111 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@@H](N[C@@H]3CCC(=O)NC3=O)C2)[nH]1 968441637 DQLOLKRDHDBMGP-GHMZBOCLSA-N 315.333 -0.504 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CCCC1=O 968457677 QVRIEZPTYKCDBK-UPJWGTAASA-N 318.377 -0.030 30 20 DBED C[C@H](NC(=O)[C@@H]1Cc2cncn2C(=O)N1)C1CN(CC#N)C1 970195183 NHQWBYQRFCWZMK-CABZTGNLSA-N 302.338 -0.674 30 20 DBED N#CCN1CCO[C@]2(CCN(C(=O)[C@H]3CCCCC(=O)N3)C2)C1 972545651 JHUUKEVOOCSHHK-CZUORRHYSA-N 320.393 -0.128 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)Cn3cnnn3)C2)cc1 972952432 GNYOIWRSJRTXCB-HDJSIYSDSA-N 324.344 -0.268 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CCC(=O)N3)C2)c1 974004969 SAIQSZCMVQINTL-AXFHLTTASA-N 315.333 -0.458 30 20 DBED Cn1ncc(C(=O)N2C[C@H]3CCN(C(=O)C#CC4CC4)C[C@H]32)n1 974527245 ZXKSPFFBWDDAMM-TZMCWYRMSA-N 313.361 -0.099 30 20 DBED CN(C[C@@H]1CCN1C(=O)C#CC1CC1)C(=O)C1CS(=O)(=O)C1 977757114 IIIGIQGCMGSEGA-ZDUSSCGKSA-N 324.402 -0.496 30 20 DBED C#CCN[C@@H]1CCC[C@@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)C1 981364587 OVLYBZJMMIDAIB-GHMZBOCLSA-N 320.349 -0.943 30 20 DBED N#CCN1CCCN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)CC1 982251413 LHVGKZWCPDRESN-UHFFFAOYSA-N 315.337 -0.871 30 20 DBED C[C@@H](NC(=O)C1CC(=O)NC(=O)C1)C1CCN(CC#N)CC1 997351591 FOUZAYXXJAEEKU-SNVBAGLBSA-N 306.366 -0.221 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H](NCC(=O)N2CCOCC2)C1 998746449 NYUMSXZXHWTTHL-CHWSQXEVSA-N 308.382 -0.415 30 20 DBED N#Cc1c[nH]c(C(=O)N2CCC[C@@H](N[C@H]3CCNC3=O)C2)c1 998850049 RNBSEVYINVOTRQ-NEPJUHHUSA-N 301.350 -0.031 30 20 DBED C=CCNC1CC(N(C)C(=O)CN2CCCS2(=O)=O)C1 998867345 SPAVHRUTPYMGTO-UHFFFAOYSA-N 301.412 -0.213 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC(CNC(=O)[C@@H]3COCCO3)C2)c1 1000994016 CYZHJLKTHMWAGY-ZDUSSCGKSA-N 318.333 -0.510 30 20 DBED CC#CCN1CC=C(CNC(=O)[C@H]2CCS(=O)(=O)N2)CC1 1001457465 VYDAICBRFGKSMA-CYBMUJFWSA-N 311.407 -0.550 30 20 DBED CCn1nc(C)c(C(=O)NCC2CN(C(=O)[C@H](C)C#N)C2)n1 1002956272 PHHPZFGPNSSAIN-SECBINFHSA-N 304.354 -0.046 30 20 DBED C#Cc1ccc(C(=O)NCC2CN(C(=O)Cn3nccn3)C2)cn1 1003471967 RTDBBTNXHYXMLL-UHFFFAOYSA-N 324.344 -0.457 30 20 DBED C=CCn1cc(C(=O)N2CC(CNC(=O)c3cnon3)C2)nn1 1003811504 AUTRIZDZLVLPOA-UHFFFAOYSA-N 317.309 -0.651 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](NC(=O)Cn2ncnn2)C(C)(C)C1 1008176494 OYVNUCJTFVZOKJ-NXEZZACHSA-N 305.342 -0.814 30 20 DBED C#CCCN1CCC[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 1008733975 CFDPINLEQFADPA-LBPRGKRZSA-N 318.377 -0.699 30 20 DBED CO[C@H](C(=O)N1CCN(C(=O)[C@@H](C)C#N)CC1)c1cnn(C)c1 1011684470 OHQYQOGNJZAPLA-AAEUAGOBSA-N 319.365 -0.062 30 20 DBED CC#CCN1CCC2(CC1)C[C@H]2NC(=O)CN1CCNC(=O)C1 1016761257 IMHFSBCIENUUCS-CQSZACIVSA-N 318.421 -0.588 30 20 DBED Cn1nnnc1CN[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 1018681409 CJANLFQVVZDLFH-JTQLQIEISA-N 300.326 -0.586 30 20 DBED C#CCN1CCC[C@@H](CNC(=O)c2cn(C)c(=O)n(C)c2=O)C1 1023624631 CVLYWGOJBAOZIL-LBPRGKRZSA-N 318.377 -0.841 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2CCCN([C@H](C)C(N)=O)C2)nn1 1023638152 YNLOARQGHZIMKT-NEPJUHHUSA-N 320.397 -0.220 30 20 DBED Cn1nc(C(=O)N2C[C@@H]3CC[C@H](NCC#N)[C@H]3C2)ccc1=O 1026413879 JHUDNUBOEOKQJQ-SRVKXCTJSA-N 301.350 -0.256 30 20 DBED C#CCCN1CC[C@H](CNC(=O)[C@H]2COCCN2C(C)=O)C1 1028993975 KHZYLLNFGSZDSB-HUUCEWRRSA-N 307.394 -0.305 30 20 DBED C#CCCN1[C@H]2CC[C@H]1CN(C(=O)[C@@H]1COCCN1C(C)=O)C2 1029589524 NDDWPJCSHZFAGI-JYJNAYRXSA-N 319.405 -0.068 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCN([C@H](C)C(=O)NC)C1 1032837161 UEHIWDSVCNCUKV-MCIONIFRSA-N 306.410 -0.591 30 20 DBED C#CCN1CCCC[C@H](NC(=O)[C@@H]2CCN(C)S2(=O)=O)C1 1034442799 SEAFQPXWBYUVRQ-STQMWFEESA-N 313.423 -0.376 30 20 DBED Cn1nc(C(=O)N2CC[C@@H]3[C@@H](CCN3CC#N)C2)ccc1=O 1036887077 LKSDGIHXPRXMKF-WCQYABFASA-N 301.350 -0.160 30 20 DBED C=CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)c1nc(O)nc(O)c1OC 1037671454 DDGHFIMYSFJKSB-VGMNWLOBSA-N 306.322 -0.115 30 20 DBED C=CCN[C@@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C[C@@H]1CC 1037985833 XOAVHILTRKHUHN-NWDGAFQWSA-N 320.397 -0.220 30 20 DBED N#CCN1CC[C@H](C2CCN(C(=O)Cn3ncnn3)CC2)C1 1039130137 JCSGLDBOIVBTFK-ZDUSSCGKSA-N 303.370 -0.243 30 20 DBED Cc1cc(C(=O)NC[C@]2(O)CCN(C(=O)[C@H](C)C#N)C2)cnn1 1039562588 XFUNYYMSGFCARI-MEBBXXQBSA-N 317.349 -0.362 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@]1(O)CCN(C(=O)c2cn[nH]c2)C1 1039721078 HQVARCCRAZGVFT-NHYWBVRUSA-N 320.349 -0.859 30 20 DBED C[C@H]1CCN(C(=O)C(N)=O)C[C@H]1CNc1ccc(C#N)nn1 1039889671 UNTISMBPKVMJKJ-VHSXEESVSA-N 302.338 -0.270 30 20 DBED C=CCOCC(=O)N1CC[C@](O)(CNC(=O)Cn2ccnc2)C1 1040215897 YFEAHBGQGLUGRS-HNNXBMFYSA-N 322.365 -0.835 30 20 DBED C[C@@H]1CN(C(=O)C(N)=O)CC[C@@H]1CN=c1cc[nH]c(C#N)n1 1040441259 JAMCCPXNEZTPQH-NXEZZACHSA-N 302.338 -0.848 30 20 DBED C[C@@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)CCCCN(C)C)C1 1040758880 CFRHNWIWKZMFSF-XJKSGUPXSA-N 324.425 -0.042 30 20 DBED Cc1ncncc1C(=O)N1CC[C@@](O)(CNC(=O)[C@@H](C)C#N)C1 1040764644 XBXAFTFTMSGKJA-ZUZCIYMTSA-N 317.349 -0.362 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CN(c3nccnc3C#N)C[C@H]2O)c1 1040961653 NKYUPOVQIMMNFE-CHWSQXEVSA-N 323.316 -0.472 30 20 DBED C=CCCO[C@H](C)C(=O)NCC1(O)CN(C(=O)c2cnn[nH]2)C1 1041870218 RAWXGOLZQJCFSC-SNVBAGLBSA-N 323.353 -0.911 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)[C@H]2C[C@@]23CCOC3)C1 1042046850 BHKAAQSQTFCALQ-IUODEOHRSA-N 324.377 -0.695 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2cc[nH]c2)C1 1043390740 DXDOCBNJBWHALV-NSHDSACASA-N 305.334 -0.644 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)[C@]2(C)CNC(=O)C2)C1 1044479402 YVJZBPWXAYEGFC-HNNXBMFYSA-N 323.393 -0.586 30 20 DBED C=CCCCC(=O)NCC1(O)CN(C(=O)Cc2nonc2C)C1 1045454837 DAPVESAYYYFWMO-UHFFFAOYSA-N 322.365 -0.034 30 20 DBED C=CCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CC[C@@H]2C(N)=O)C1 1045462824 QOJGETQOBPZCJO-NWDGAFQWSA-N 323.393 -0.456 30 20 DBED CC#CCN1CC[C@H](N2CCN(C(=O)c3nnn(C)n3)CC2)C1 1046054175 IYNOCSKKKYBUKB-ZDUSSCGKSA-N 317.397 -0.935 30 20 DBED CN(C(=O)C#CC1CC1)[C@H]1CN(C(=O)C[C@@H]2CCCO2)C[C@@H]1O 1048821657 WLJSLDIXBJIPPP-KKUMJFAQSA-N 320.389 -0.001 30 20 DBED C=C(C)CN1C[C@H]2CN(C(=O)CN3CCOCC3=O)C[C@H]2C1 1048866275 ZQERNYJYMHDZMF-OKILXGFUSA-N 307.394 -0.189 30 20 DBED N#CCN1CCc2c(CNC(=O)[C@H]3CNC(=O)N3)cccc2C1 1051298945 BEVBTWQNZCNFHW-CQSZACIVSA-N 313.361 -0.134 30 20 DBED COC(=O)NCC(=O)N1C[C@H](CNC(=O)C#CC2CC2)[C@@H](C)C1 1052110384 RUFNWBAZSDJDPO-AAEUAGOBSA-N 321.377 -0.034 30 20 DBED N#CCN1CC2(C1)CN(C(=O)[C@@H]1CCn3cncc3C1)CCO2 1053314014 JSOHTUYUAAPSCF-CYBMUJFWSA-N 315.377 -0.118 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)c1cnc(O)n1C)CCO2 1053374913 RXIAFXFESMSTNN-UHFFFAOYSA-N 304.350 -0.324 30 20 DBED N#CCN1CC2(C1)CN(C(=O)[C@H]1CCC[C@@H](C(N)=O)C1)CCO2 1053452929 JHEVDYJIWADGIL-OLZOCXBDSA-N 320.393 -0.285 30 20 DBED C#CCN1CC2(C1)CN(C(=O)c1cnn(C)c1OC)CCO2 1053520467 PPDCEIPNHDDRAP-UHFFFAOYSA-N 304.350 -0.411 30 20 DBED COC(=O)[C@@H]1C[C@H]1C(=O)N1CCN(c2cnc(C#N)cn2)CC1 1055735204 KTLYEQGEADCIHV-VXGBXAGGSA-N 315.333 -0.194 30 20 DBED Cn1nccc1C(=O)N[C@H]1[C@@H]2CN(c3cnc(C#N)cn3)C[C@@H]21 1056138025 FVSMLNAKJWEEHV-YABSGUDNSA-N 309.333 -0.054 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)c1cc(C#N)c[nH]1 1057291568 JNOXYHHQEXPYKV-JTQLQIEISA-N 303.322 -0.403 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)c1ncccn1 1057442079 SIPAAGYSQSXHIB-UHFFFAOYSA-N 304.350 -0.169 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)[C@@H]1CCC(=O)NC1 1057445268 NSIFLLHQOQRDBU-CYBMUJFWSA-N 323.393 -0.747 30 20 DBED C=C[C@](C)(O)CC(=O)N(CCO)CCNC(=O)c1ccnn1C 1057449752 IASRRSVLWKIMBO-HNNXBMFYSA-N 324.381 -0.702 30 20 DBED N#Cc1cncc(N[C@H]2CCN(C(=O)[C@@H]3COCCO3)C2)n1 1058846137 IVKXHLHLWPEDJG-JQWIXIFHSA-N 303.322 -0.224 30 20 DBED C#CCCCC(=O)NCC[C@@H]1CCN(C(=O)CNC(N)=O)C1 1059117273 PRUQKNKQAZGIQK-GFCCVEGCSA-N 308.382 -0.187 30 20 DBED N#Cc1nccnc1N[C@H]1C[C@H](NC(=O)CN2CCOCC2)C1 1059186802 IVAQNYZXQDTXDK-HAQNSBGRSA-N 316.365 -0.260 30 20 DBED C#CCO[C@@H](C)C(=O)NCC[C@H]1CCN(C(=O)c2nc[nH]n2)C1 1060111561 DESLMVQRZONEAR-RYUDHWBXSA-N 319.365 -0.189 30 20 DBED N#Cc1cccnc1NC[C@@H]1CCN(C(=O)Cn2cnnn2)C1 1060801910 CCHOUWWPARBSRN-NSHDSACASA-N 312.337 -0.100 30 20 DBED C=C(C)CCC(=O)N1CCOC[C@H]1CNC(=O)[C@@H]1CCNC1=O 1061748436 MFQIWLGVYYEERD-CHWSQXEVSA-N 323.393 -0.178 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)C(=O)NCC1CC1 1061848788 VHYCCPRFNRSXSW-ZYHUDNBSSA-N 322.365 -0.984 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)CCc1cnc[nH]1 1061852898 NUGZREBTQQJAPE-WCQYABFASA-N 319.365 -0.154 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)c1cncnc1O 1061853691 UPBMRHXWHNAOCR-NXEZZACHSA-N 319.321 -0.701 30 20 DBED N#Cc1cncc(N2CC[C@@H]3CN(C(=O)C(N)=O)CC[C@H]32)n1 1064034560 XVUKETPIVRNCHM-MWLCHTKSSA-N 300.322 -0.739 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H]1CN(C(=O)c2cc[nH]n2)CCO1 1064890672 ONVITTUNVBFRPN-NWDGAFQWSA-N 320.349 -0.595 30 20 DBED CO[C@H](C)C(=O)NC[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCO1 1065020812 KTYCBFUMHCKEAO-ZYHUDNBSSA-N 320.349 -0.122 30 20 DBED C#CCO[C@H](C)C(=O)N1CCO[C@H](CNC(=O)COCC=C)C1 1065152330 JTBMAMCQZHXCRP-ZIAGYGMSSA-N 324.377 -0.429 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)[C@@H]2CCC(=O)N2)CCO1 1065401365 LIIIQKPYXJNYKP-STQMWFEESA-N 321.377 -0.588 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@H]1CN(C(=O)c2nc[nH]n2)CCO1 1065447020 LROAFMLGPMZSKR-HZMBPMFUSA-N 323.353 -0.911 30 20 DBED Cc1cc(=NC[C@@H]2CN(C(=O)C(N)=O)C[C@@H]2C)c(C#N)c[nH]1 1065901699 WUYBSYTZAWVUNZ-JOYOIKCWSA-N 301.350 -0.325 30 20 DBED N#Cc1cncc(N2CC[C@@H]3[C@H]2CCCN3C(=O)C(N)=O)n1 1066182822 ISDGZOKIPVCLJN-GHMZBOCLSA-N 300.322 -0.597 30 20 DBED N#Cc1cnc(N2CCOC[C@H]2CNC(=O)[C@H]2CCOC2)cn1 1066469325 ASTOSKZEIIYBNI-WCQYABFASA-N 317.349 -0.294 30 20 DBED C#CCOCCC(=O)N1CC2(C1)CN(C(=O)C(F)F)CCO2 1068266139 GWSVHEKRGGWIHW-UHFFFAOYSA-N 316.304 -0.269 30 20 DBED C#CCNC(=O)CC(=O)N1CC2(CC[C@H](CNC(=O)CC)O2)C1 1068471910 DBQGPBADRCVCPB-GFCCVEGCSA-N 321.377 -0.588 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CCC2(CN(C(=O)CC(N)=O)C2)O1 1068569253 RMKGGIWDRHSVLA-GFCCVEGCSA-N 321.377 -0.603 30 20 DBED Cc1nc(O)[nH]c1C(=O)NCc1cnn2c1CN(CC#N)CC2 1069864484 RZLBFWVCTLBXEN-UHFFFAOYSA-N 315.337 -0.111 30 20 DBED C#CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2cccnn2)C1 1070061618 OWZQFAHTAZMAST-KGLIPLIRSA-N 311.349 -0.253 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)Cc2[nH]cnc2C)C1 1070089146 ZFSBIEJYFIGIFI-KGLIPLIRSA-N 313.365 -0.473 30 20 DBED N#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)C[C@H]2CCCOC2)C1 1070098880 XKIJCBPFGYKRCJ-MCIONIFRSA-N 318.381 -0.040 30 20 DBED C=C[C@](C)(CC)C(=O)N1C[C@H](n2ccnn2)[C@H](NCC(N)=O)C1 1070265489 JSCHBJBSUSZJMJ-TYNCELHUSA-N 320.397 -0.293 30 20 DBED C[C@H]1OCCC[C@H]1C(=O)N1CCC(=O)NCCN(CC#N)CC1 1070956628 VLMRIILLTAIELN-ZIAGYGMSSA-N 322.409 -0.024 30 20 DBED C#CCCN1CCNC(=O)CCN(C(=O)c2cnnn2C)CC1 1070960130 XETALOJSKYUWDD-UHFFFAOYSA-N 318.381 -0.898 30 20 DBED C[C@H]1CC[C@@H](NC(=O)CN2CCN(C)C(=O)C2)CN1CC#N 1071623245 TYOFECCCKIZJJK-QWHCGFSZSA-N 307.398 -0.747 30 20 DBED C=CCOCC(=O)N1C[C@@H](C)[C@@H](NC(=O)Cn2cncn2)C1 1071812267 ROBMRUQEQMPKQX-NEPJUHHUSA-N 307.354 -0.556 30 20 DBED C=CCCCC(=O)N1C[C@H](C)[C@H](NC(=O)Cn2ncnn2)C1 1072637069 YCKKUBUUXQDHAS-NWDGAFQWSA-N 306.370 -0.008 30 20 DBED C=CCOCC(=O)N1CC[C@H](NC(=O)Cn2cnnn2)C[C@@H]1C 1074807751 IVMATPANYIZQQI-RYUDHWBXSA-N 322.369 -0.629 30 20 DBED C[C@@H](CCNC(=O)[C@H]1CCC(=O)N1)NC(=O)CSCC#N 1075926949 LMHIWKJRQBDVOM-VHSXEESVSA-N 312.395 -0.467 30 20 DBED C=CCN1CC[C@@H](N2C[C@@H](O)[C@H](NC(=O)C3CCC3)C2)C1=O 1076665506 RGVFNOFEWBEHGU-MGPQQGTHSA-N 307.394 -0.265 30 20 DBED COCC(=O)N(C)CC(=O)NCC[C@H](C)NC(=O)[C@@H](C)C#N 1076888714 ZIAXGJNWDWJPFF-QWRGUYRKSA-N 312.370 -0.738 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3nncn3CC2)C1 1077411214 WIHKAWSWIWDNMP-BFHYXJOUSA-N 319.409 -0.032 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3nc(C)nn3C2)C1 1077432884 AWJQRPZZFVWVPF-MGPQQGTHSA-N 317.393 -0.666 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)Cc2cn3cc(F)ccc3n2)C1 1077461260 QSYGWJHXPOLYGG-CHWSQXEVSA-N 317.324 -0.299 30 20 DBED C#CCCCC(=O)N[C@@H](C)CCNC(=O)c1nnc(O)nc1O 1077578075 LGCJOAHNAKHWQF-VIFPVBQESA-N 321.337 -0.289 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)C2CCC(NC(C)=O)CC2)C1 1078282128 LRESRYMITDWJMC-QDIHITRGSA-N 321.421 -0.134 30 20 DBED C=CCCC(=O)N1CC(N(CC)C(=O)CS(=O)(=O)NC)C1 1079814535 BOUNCBNLODJBGI-UHFFFAOYSA-N 317.411 -0.439 30 20 DBED CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)C2CN(C(C)=O)C2)C1 1080411665 QRTSTSMWIPFWMW-SNVBAGLBSA-N 306.366 -0.316 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CC(C)(C)O)C1 1081447275 LWHLNVBCRKUVIB-QWHCGFSZSA-N 310.394 -0.258 30 20 DBED Cc1c[nH]nc1C(=O)N1C[C@H](CNC(=O)C#CC2CC2)[C@@H](O)C1 1081471142 JTCPLKAJLCQTBH-STQMWFEESA-N 316.361 -0.319 30 20 DBED CO[C@@H]1CN([C@H](C)C(N)=O)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 1081540541 HGJNRVBXYPFYPZ-GGZOMVNGSA-N 305.338 -0.811 30 20 DBED C=CC(C)(C)C(=O)NC[C@@H]1CN(C(=O)CC(=O)NC)C[C@@H]1O 1081640666 PIAYDAJTKMAYDM-MNOVXSKESA-N 311.382 -0.730 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2ncccn2)C1 1081686929 BXKHVFBUQWPJDX-NEPJUHHUSA-N 320.349 -0.772 30 20 DBED C[C@@H](C#N)C(=O)N1CCCC[C@H]1CNC(=O)CCNC(N)=O 1082266980 DZAGSEKTIPWSAD-QWRGUYRKSA-N 309.370 -0.298 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN([C@@H](C)C(N)=O)C[C@H]2OC)cn1 1082333685 UKAQTZJTSUNNRC-ZLKJLUDKSA-N 316.361 -0.634 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)c2cnn(CCOC)c2C)C1 1083458472 QAEAVKMKRMZSJA-CABCVRRESA-N 320.393 -0.364 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)CN2C(=O)CC(C)(C)C2=O)C1 1083462973 KEJLJJLHYOYDKM-NEPJUHHUSA-N 323.393 -0.491 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2ccnn2CC2CCC2)C1 1083463375 GMPSKFMSIBRVMI-OCCSQVGLSA-N 303.366 -0.018 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)CN2CCCCCCC2=O)C1 1083506913 IDSRLXIBDZOZQP-OLZOCXBDSA-N 308.382 -0.536 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2ncoc2[C@H]2CCCO2)C1 1083699460 YQANVIRMNZOAHX-OUAUKWLOSA-N 306.322 -0.175 30 20 DBED N#CCN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCS(=O)(=O)N1 1085426346 CWMZJFMQYZIGEN-MXWKQRLJSA-N 300.384 -0.781 30 20 DBED Cc1cc2[nH]c(=O)c(C(=O)NC[C@H]3C[C@H](NCC#N)C3)cn2n1 1086505869 UPFRHQYNFGSQMF-XYPYZODXSA-N 314.349 -0.047 30 20 DBED C#CCN[C@H]1CCCCCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 1088428561 WMGNBBRHWYVQBN-QWHCGFSZSA-N 313.423 -0.328 30 20 DBED C#CCCN1CC[C@H](NC(=O)CN2CCC(=O)NC2=O)[C@H]1C 1088961683 RAUGFUQFIOAUHN-NEPJUHHUSA-N 306.366 -0.469 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CC[C@@H](C)N(c2cncc(C#N)n2)C1 1089116698 STMUEKXXBQNBFD-ZYHUDNBSSA-N 316.365 -0.042 30 20 DBED C#CCN1C[C@H]2[C@H]3CC[C@@H]([C@H]2C1)N(C(=O)CS(C)(=O)=O)C3 1089782129 VNMJPPNXRGRBII-XUXIUFHCSA-N 310.419 -0.167 30 20 DBED C=C(Cl)CN1CC[C@@H](NC(=O)CN2CCCC2=O)[C@H](O)C1 1090060503 LAPWOTNRMAZZMX-VXGBXAGGSA-N 315.801 -0.087 30 20 DBED C#CCN1CC[C@H](NC(=O)Cn2cc(C3CC3)cn2)[C@H](O)C1 1090376406 WPYCNBQFRGAWRG-LSDHHAIUSA-N 302.378 -0.055 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2cc(OC)n(C)n2)[C@H](O)C1 1090420065 FGXKJORVTSTPEB-DGCLKSJQSA-N 306.366 -0.383 30 20 DBED CO[C@H](C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1O)C(C)C 1090534852 HGGPMEXXYKTQSI-BZPMIXESSA-N 319.365 -0.315 30 20 DBED CCNC(=O)CC(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1C 1090702822 QJNJGKDOYVESEJ-ZYHUDNBSSA-N 316.365 -0.185 30 20 DBED COC[C@@H](OC)C(=O)NCC1CC(N=c2cc[nH]c(C#N)n2)C1 1092258777 AKIMGDPJYLNSEE-HTAVTVPLSA-N 319.365 -0.262 30 20 DBED Cc1cc(C#N)nc(NCCNC(=O)[C@H]2C[C@H]2C(=O)N(C)C)n1 1094142452 GPJIHPUPLHKLTH-NWDGAFQWSA-N 316.365 -0.091 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](Nc2cc(F)ncn2)C1 1095035295 WAZMHRBHHLWJRO-SNVBAGLBSA-N 305.313 -0.232 30 20 DBED C[C@H](CC(N)=O)C(=O)N1CC[C@@H](Nc2cnc(C#N)cn2)C1 1095076942 HFYCVVOSURZHER-NXEZZACHSA-N 302.338 -0.127 30 20 DBED Cc1cc(=N[C@H]2C[C@H](NC(=O)[C@H](C)NC(N)=O)C2)c(C#N)c[nH]1 1097013821 JPWWJWWQHYUTQT-DLOVCJGASA-N 316.365 -0.201 30 20 DBED C[C@@H](CNC(=O)CN1CCOCC1=O)Nc1cnc(C#N)cn1 1098356560 RJOPEMDIIAHFMX-JTQLQIEISA-N 318.337 -0.876 30 20 DBED C[C@]1(C(=O)N2CCC(N(CC#N)CCO)CC2)CCNC(=O)C1 1098404904 XCRMHDKXNHUSJD-INIZCTEOSA-N 322.409 -0.288 30 20 DBED C=CCOCCN1C[C@H]2[C@@H]3CC[C@@H](CN3C(=O)C(N)=O)[C@H]2C1 1099518598 BHWACRGRSCLSSU-DGAVXFQQSA-N 307.394 -0.157 30 20 DBED C[C@@H](CCNC(=O)C[C@@H]1CCNC1=O)N=c1cc[nH]c(C#N)n1 1099559359 WAFCICQZLSDHHI-QWRGUYRKSA-N 316.365 -0.397 30 20 DBED Cn1cnnc1CN1CC[C@H](NC(=O)C#CC2CC2)[C@H](O)C1 1099824302 RNSNFDLHRVBRTC-QWHCGFSZSA-N 303.366 -0.720 30 20 DBED C#CCC1(C(=O)N[C@@H]2CCN(CC(=O)NC)C[C@H]2O)CCC1 1099873876 BMKXVDNMCPQEEW-CHWSQXEVSA-N 307.394 -0.523 30 20 DBED COCC#CCN1CC[C@H](NC(=O)Cc2cncs2)[C@H](O)C1 1099886000 WWAFDALBCZPNGR-UONOGXRCSA-N 323.418 -0.113 30 20 DBED C=CCCOCC(=O)N[C@@H]1CCN(Cc2cnn(C)n2)C[C@@H]1O 1100139306 OXHCITXYDYKZBI-KGLIPLIRSA-N 323.397 -0.541 30 20 DBED C=CCNC(=O)[C@H](C)NC1CC(CNC(=O)c2ncn(C)n2)C1 1100298902 GVDICGLGKLBLLU-UNXYVOJBSA-N 320.397 -0.396 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)CCc2ccon2)C1 1100508640 OQNIKYAGANSALW-UHFFFAOYSA-N 318.377 -0.159 30 20 DBED CCN(CCNC(=O)[C@@H]1COC(=O)N1)c1cncc(C#N)n1 1100511444 ZJTMFHSFQUHXEY-JTQLQIEISA-N 304.310 -0.601 30 20 DBED COC[C@@H](OC)C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(C#N)nn1 1102571002 DXQDWOSLSJLFNE-RWMBFGLXSA-N 317.349 -0.201 30 20 DBED C=CCCN1C[C@@H](C)[C@H](CNC(=O)CS(=O)(=O)NC)C1 1102583395 IOUKVALDRZXUCN-VXGBXAGGSA-N 303.428 -0.204 30 20 DBED C=CCN1C[C@@H](C)[C@H](CCNC(=O)CN2CCNC(=O)C2)C1 1103305309 XYHFQRCPRBTGEM-ZIAGYGMSSA-N 308.426 -0.322 30 20 DBED N#Cc1cnc(N2CCC[C@@H]2CCNC(=O)CC(N)=O)cn1 1103738274 GVOVVEFCHJDHLE-LLVKDONJSA-N 302.338 -0.301 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)c1cn(C)nn1 1103927763 RVJGSQIKUTTYKG-SECBINFHSA-N 300.326 -0.623 30 20 DBED C#CCO[C@H](C)C(=O)N(C)[C@H](C)CNc1nccn2nnnc12 1104682772 CDJPEXSFZDIVRJ-GHMZBOCLSA-N 317.353 -0.184 30 20 DBED C=CCOCC(=O)NC[C@@H](O)CNc1nc(C)nc(N(C)C)n1 1105748229 SCXQLGOSULELRC-LLVKDONJSA-N 324.385 -0.662 30 20 DBED N#Cc1cccnc1NC[C@@H](O)CNC(=O)C[C@@H]1COC(=O)C1 1105819559 GDXMPKHAQNOKGF-JQWIXIFHSA-N 318.333 -0.205 30 20 DBED COC[C@H](C)CC(=O)NC[C@@H](O)CNc1nccnc1C#N 1105941168 RXJYFBUNLGPFHO-GHMZBOCLSA-N 307.354 -0.090 30 20 DBED Cc1nc(O)[nH]c1C(=O)NC[C@@H](O)CNc1ccc(C#N)cn1 1106000941 NSEPAIPRVRYVKA-JTQLQIEISA-N 316.321 -0.107 30 20 DBED CN(C)CCCC(=O)NC[C@@H](O)CNc1cncc(C#N)n1 1106075813 LCRLYZAYMBSPTJ-LBPRGKRZSA-N 306.370 -0.421 30 20 DBED C[C@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)c1cn(C)c(O)n1 1106561632 WGZCSCKGSAAMOS-SECBINFHSA-N 315.337 -0.170 30 20 DBED C[C@H](CNc1ccc(C#N)nc1)NC(=O)Cn1c(O)nnc1O 1107875090 VKICOFQKIGCAGA-MRVPVSSYSA-N 317.309 -0.427 30 20 DBED C=CCNC(=O)CN1CCO[C@@](C)(CNC(=O)c2ncc[nH]2)C1 1107929343 QCZDXLUIPTYWPE-HNNXBMFYSA-N 321.381 -0.467 30 20 DBED C[C@@H]1OCCO[C@@H]1C(=O)N[C@H](C)CN=c1cc[nH]c(C#N)n1 1108185092 IYNFPTRBTBLGIC-NRUUGDAUSA-N 305.338 -0.509 30 20 DBED C[C@H](CNc1ccc(C#N)nn1)NC(=O)c1nnc(O)nc1O 1108208866 RWRTWWQFKKMZJX-ZCFIWIBFSA-N 316.281 -0.825 30 20 DBED C=CCC[C@@H](C)N1CC(N2C[C@@H](NC(=O)C(N)=O)CC2=O)C1 1108567196 YIOZHMNQMVGTFI-MNOVXSKESA-N 308.382 -0.772 30 20 DBED CC(=O)N[C@@H](C)C(=O)N[C@@H](C)CN(C)c1nccnc1C#N 1108817764 HFYPNKQYAVYDHR-UWVGGRQHSA-N 304.354 -0.186 30 20 DBED CN(CCCN=c1cc[nH]c(C#N)n1)C(=O)CCn1ccnn1 1109437497 XLPRQXSTFBSBCD-UHFFFAOYSA-N 314.353 -0.288 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1n[nH]cc1F 1109685219 SHEQYPGMGUVIMD-USWWRNFRSA-N 319.340 -0.367 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1[C@H]2C[C@H]1N(c1ccc(C#N)cn1)C2 1109704481 UQNCLIXZNZFFTK-AHIWAGSCSA-N 323.356 -0.214 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H](C)NS(=O)(=O)CC 1110583979 UBCPGWQURSYEJR-LPWJVIDDSA-N 313.423 -0.331 30 20 DBED CNC(=O)CC(=O)N1CC[C@@H]([C@@H](C)N=c2cc[nH]c(C#N)n2)C1 1111212479 AHZBFILXLHCSIX-GHMZBOCLSA-N 316.365 -0.445 30 20 DBED C=CCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NC(N)=O 1111482953 ZXJBODGTGQKAKT-UTUOFQBUSA-N 324.381 -0.505 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CCN(c2nccnc2C#N)C[C@H]1C 1112389292 ZEFWHRJJJUKHKI-ZYHUDNBSSA-N 316.365 -0.185 30 20 DBED C#CCNC[C@]12CCC[C@H]1CN(C(=O)Cn1ncn(C)c1=O)C2 1112440268 QVOZOPPQSYLLBP-BBRMVZONSA-N 317.393 -0.567 30 20 DBED C[C@H]1C[C@H](NC(=O)CNC(N)=O)CCN1c1ccc(C#N)nn1 1112458226 YGDSDEHFYIJGDK-VHSXEESVSA-N 317.353 -0.510 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)CCc2nc[nH]n2)CC1 1112757265 KEIDOGQUZMUQCZ-LBPRGKRZSA-N 320.397 -0.428 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)[C@@H]2CCC2(F)F)CC1 1113000317 XXMUNKCDXVGJLP-JTQLQIEISA-N 300.309 -0.184 30 20 DBED CC(=O)N1CC(C(=O)N[C@H](C)[C@H](C)N=c2cc[nH]c(C#N)n2)C1 1113018178 DEKWUAUSGFKWCA-VHSXEESVSA-N 316.365 -0.446 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)Cc2nonc2C)CC1 1113481230 SLNCFELDUJYWEY-LBPRGKRZSA-N 319.365 -0.797 30 20 DBED C[C@@H](CNC(=O)C[C@H]1CCC(=O)N1)N(C)c1nccnc1C#N 1113652461 XONXCECCGULMIA-WDEREUQCSA-N 316.365 -0.042 30 20 DBED COCC#CCN1CCN(C(=O)[C@H]2CCc3nncn3C2)CC1 1113673280 JTDOYYKKCCHNLU-AWEZNQCLSA-N 317.393 -0.366 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCN([C@@H](C)C(=O)NC(N)=O)CC1 1113714506 GACHKXMTZJGNJU-QWRGUYRKSA-N 312.370 -0.695 30 20 DBED N#CCNC(=O)CN1C[C@@H]2C(NC(=O)[C@@H]3C[C@@H]4C[C@@H]4C3)[C@H]2C1 1114721362 NRPIPAMMJOGDLC-QWQWKMKNSA-N 302.378 -0.281 30 20 DBED CC#CCN1C[C@H]2[C@H](NC(=O)CNC(=O)c3cccnc3)[C@H]2C1 1114861175 DEJMWSPVZZBEPA-FOLVSLTJSA-N 312.373 -0.119 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)c3nocc3C)[C@@H]2C1 1115077153 UTOBGBFMSATEMH-QJPTWQEYSA-N 316.361 -0.219 30 20 DBED COCC#CCNC1(CNC(=O)Cn2cnnn2)CCCCC1 1115401123 NGIMINXRFSZQMD-UHFFFAOYSA-N 320.397 -0.268 30 20 DBED CC[C@H](C(=O)NCCN/C(O)=C1/N=CC=CC1=O)C(=O)OC 1116762053 ZEDWSTCFYZCIHF-JLDYROKLSA-N 309.322 -0.172 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCN(CC(C)C)C(=O)[C@H]1C 1117395712 LZRMQFWRVKJOGQ-CYBMUJFWSA-N 323.393 -0.532 30 20 DBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N[C@@H]1CCOC1 1117468218 VLQPOYBJLYVAKB-SECBINFHSA-N 320.353 -0.840 30 20 DBED C[C@H](N)C[C@@H](C)NC(=O)NCCN/C(O)=C1\N=CC=CC1=O 1118136946 ZLXHAHHQNLPROU-CGWHOVSOSA-N 309.370 -0.062 30 20 DBED C=CCN1C(=O)C(=O)N(Cc2nc([C@@H](C)CNC)no2)C1=O 1118181203 VAUJFHQKQNIQKA-QMMMGPOBSA-N 307.310 -0.131 30 20 DBED N#Cc1cncc(N[C@@H](CO)CNC(=O)[C@@H]2CCCOC2)n1 1121203817 AZQWBYAUKPKQEE-ZYHUDNBSSA-N 305.338 -0.336 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](CO)Nc1ncnc2c1ncn2C 1121211921 ASZJZXCDFJINKS-IUCAKERBSA-N 303.326 -0.588 30 20 DBED CCOC1CC(C(=O)NC[C@@H](CO)N=c2cc[nH]c(C#N)n2)C1 1121397867 DMDGOYIJHQMCAJ-CXQJBGSLSA-N 319.365 -0.526 30 20 DBED CC(C)(C)C#CC(=O)NC[C@H](CO)Nc1ccc2nnnn2n1 1121439103 FJZXVZZJQWZJNH-SNVBAGLBSA-N 317.353 -0.542 30 20 DBED CCCN(C)CCC(=O)NC[C@H](CO)Nc1nccnc1C#N 1121840378 SEBNYBQLPCFPBE-GFCCVEGCSA-N 320.397 -0.031 30 20 DBED Cc1nsc(N[C@@H](CO)CNC(=O)c2nc[nH]n2)c1C#N 1121893691 RRFYOMFEWCLXFV-SSDOTTSWSA-N 307.339 -0.356 30 20 DBED CC[C@H](NC(C)=O)C(=O)NC[C@@H](CO)N=c1cc[nH]cc1C#N 1122644842 OLUHZTROKHUBHH-STQMWFEESA-N 319.365 -0.821 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)c2snnc2C)C1=O 1123387893 NSKHDWMULRDNHK-JTQLQIEISA-N 309.395 -0.047 30 20 DBED Cc1cc(C#N)nc(NC[C@H](O)CN(C)C(=O)[C@H](O)C(C)C)n1 1124296250 ZKFCVMQDXSGRFR-QWHCGFSZSA-N 321.381 -0.095 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)c1ccnn1C 1124561624 NKFHWMXAHTZQLM-UHFFFAOYSA-N 305.382 -0.060 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)C[C@H]1CCOC1 1125118660 MSNDDHSEDSUIHF-CYBMUJFWSA-N 310.398 -0.119 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CCN(C)[C@@H]1CC 1127706154 IXCVERPFCDBHOU-HZSPNIEDSA-N 308.426 -0.440 30 20 DBED COCC#CCNCCNC(=O)Cc1nnn(C(C)(C)C)n1 1128044310 LPJQZVDWKXBRFW-UHFFFAOYSA-N 308.386 -0.674 30 20 DBED C#CCNC(=O)CN1C[C@H](n2ccnn2)[C@H](NC(=O)CCC)C1 1128636651 ALPCRPBBXROJMN-OLZOCXBDSA-N 318.381 -0.831 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1 1128962268 RIIASAKJJNBTHH-DYEKYZERSA-N 304.354 -0.530 30 20 DBED CC#CCN[C@@H]1CN(C(=O)CN(CC)CC)C[C@@H]1n1ccnn1 1130047459 BTTQTIZLISBIRU-CABCVRRESA-N 318.425 -0.015 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2ccnn2C)CC[C@@H]1C 1131861525 MHBFOZHZJQUYMJ-STQMWFEESA-N 317.393 -0.248 30 20 DBED C#CCOCCC(=O)N[C@H]1CC[C@@H](C)N(Cc2nnn(C)n2)C1 1132030887 ZTIJSZDGCIMBNZ-OLZOCXBDSA-N 320.397 -0.281 30 20 DBED C=C(C)CN(CC)C(=O)CNCCNC(=O)[C@H]1CCN(C)C1=O 1132608528 DYKSFKSMMMUEIK-CYBMUJFWSA-N 324.425 -0.405 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)[C@@]1(F)CCOC1 1132864590 YASRQLCFYWWPQB-CQSZACIVSA-N 314.361 -0.417 30 20 DBED C#CCNC[C@H]1CN(C(=O)Cn2ncn(C)c2=O)CC[C@@H]1C 1132927522 GFRGHBMVTGUKCS-STQMWFEESA-N 305.382 -0.711 30 20 DBED C[C@H]1CCN(C(=O)Cn2ccc(O)nc2=O)C[C@H]1CNCC#N 1132960445 UWKKWXFTEXKUNI-NWDGAFQWSA-N 319.365 -0.453 30 20 DBED C[C@H]1CCN(C(=O)c2nc[nH]n2)C[C@H]1CNCC(=O)NCC#N 1133181816 ITOIJHUYRYPIDU-WDEREUQCSA-N 319.369 -0.868 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1ncccc1OCCC 1133297087 FVPRBJUCIFHJAA-UHFFFAOYSA-N 318.377 -0.061 30 20 DBED C[C@@H](C[C@@H](C)NCC(=O)NCC#N)NC(=O)C1=COCCO1 1133580569 BZPCOCKCQGLABB-MNOVXSKESA-N 310.354 -0.613 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1cnc(C2CC2)nc1O 1134890413 LQDUDPYIEFGIGD-UHFFFAOYSA-N 318.337 -0.981 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)C[C@@H]1CCN(C)C1 1147876952 AERPFXVBBGODTI-AWEZNQCLSA-N 323.441 -0.204 30 20 DBED C[C@H](Oc1ccc(F)cc1)C(=O)NCCNCC(=O)NCC#N 1150459932 RWTQIXHBMDNZCY-NSHDSACASA-N 322.340 -0.061 30 20 DBED COCCC1(NC(=O)Cn2cnnc2O)CCN(CC#N)CC1 1151080519 RAKWSWAHGSMHAE-UHFFFAOYSA-N 322.369 -0.505 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@@H](C(C)C)N1CCCC1=O 1153419892 BDUYWJBQCMGSIU-OAHLLOKOSA-N 322.409 -0.911 30 20 DBED CCN(CC#N)[C@H](C)CNC(=O)[C@H]1CCc2nnnn2CC1 1155353009 GDZCBLVUWLFYJQ-NEPJUHHUSA-N 305.386 -0.024 30 20 DBED C=CCNC(=O)CN(CC)[C@H](C)CNC(=O)Cn1cncn1 1156773573 WPBIPNOVUZZPGJ-GFCCVEGCSA-N 308.386 -0.593 30 20 DBED C#CCNC(=O)CC(=O)NCCCNCc1cncc(OC)n1 1156853150 ZJYLZLWYJYJLOF-UHFFFAOYSA-N 319.365 -0.779 30 20 DBED C#CCNC(=O)CNCCCNC(=O)C1(c2ccccn2)CC1 1158010462 FSGZLMBJFHKNGI-UHFFFAOYSA-N 314.389 -0.042 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)COc1cc(C)on1 1160367129 USKOMWZEECSWEZ-LBPRGKRZSA-N 322.365 -0.404 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)CCS(C)(=O)=O 1161098414 JITUEIBFHPYHNE-NSHDSACASA-N 319.427 -0.792 30 20 DBED COCC#CCNCC1(CCNC(=O)CN(C)C(C)=O)CC1 1163486572 CNKCJUKJWNUOIR-UHFFFAOYSA-N 309.410 -0.009 30 20 DBED C=CCNC(=O)NC(=O)CNCCCNC(=O)c1cnco1 1163529253 VDRKIESLZOPJMD-UHFFFAOYSA-N 309.326 -0.604 30 20 DBED CC#CCNCCCNC(=O)c1nc(C)n(-c2nc[nH]n2)n1 1163622929 FPSAUTUZTXGDMT-UHFFFAOYSA-N 302.342 -0.573 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1cc(OC)ccn1 1163774314 VSTAJCALUFPDSR-UHFFFAOYSA-N 304.350 -0.451 30 20 DBED CC#CCNCC1(CCNC(=O)CCCS(N)(=O)=O)CC1 1166919584 XMADLVHASOKKNZ-UHFFFAOYSA-N 315.439 -0.046 30 20 DBED C#CCNCCCC[C@@H](C)NC(=O)CCn1cc[nH]c(=O)c1=O 1175720048 SXACYZZHKKZJDE-CYBMUJFWSA-N 320.393 -0.176 30 20 DBED CC#CCN[C@H]1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)[C@H]1C 1178830048 JHBMBJSXKYGBRH-STQMWFEESA-N 318.377 -0.851 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)[C@H](C2CC2)N(C)C)C1 1190655139 NTJPKGATZNLLBP-HOCLYGCPSA-N 320.437 -0.391 30 20 DBED CC(C)n1nnnc1CN1C[C@@H](O)[C@H](NC(=O)[C@H](C)C#N)C1 1191854816 SUIXSSYZKRDSGY-GMTAPVOTSA-N 307.358 -0.925 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(C[C@@H]2CCc3ncnn32)C[C@H]1O 1192760956 AMYLHJNTNFAYRO-BFHYXJOUSA-N 317.393 -0.414 30 20 DBED C=CCC[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)c2cn(C)c(=O)cn2)C1 1194840501 HOJJFCYMOKBKQI-YRGRVCCFSA-N 320.393 -0.090 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCCN(C(=O)C[C@](C)(O)C=C)CC1 1195681560 FZZWPZZBHZZJRV-RHSMWYFYSA-N 321.421 -0.014 30 20 DBED C=CCNC(=O)[C@H](C)N1CCCN(C(=O)C2(C(N)=O)CC2)CC1 1196977300 LWQYGECFFLNPPH-LBPRGKRZSA-N 322.409 -0.523 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)CNC(=O)c2cccs2)C1 1198353397 VAMGEWMPBKQFMN-VXGBXAGGSA-N 321.402 -0.338 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(Cc2nnc(CC)o2)C[C@H]1O 1199292128 BQPSOYDNUCOLLD-VXGBXAGGSA-N 324.381 -0.114 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)CNC(=O)OC)CC1 1199520855 BSVVPEAKOVEPGN-UHFFFAOYSA-N 312.370 -0.775 30 20 DBED C#CCNC(=O)[C@H](C)NC1CCN(C(=O)c2ncn(C)n2)CC1 1200390029 RFNGXQIQIGHUDZ-NSHDSACASA-N 318.381 -0.853 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC(N[C@H](C)c2nnnn2C)CC1 1200532367 PLQOKZZBZGZPGM-VXGBXAGGSA-N 320.397 -0.110 30 20 DBED C=CCOCCN[C@H]1C[C@@H](NC(=O)Cn2cnnn2)C12CCC2 1202382402 FKXBUUPTHNYBOG-QWHCGFSZSA-N 320.397 -0.107 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)[C@H](COC)OC)CC1 1202415565 SIYQXRMPJCCCIN-ZDUSSCGKSA-N 313.398 -0.469 30 20 DBED C#CCOCCC(=O)N[C@@H]1C[C@@H](NCC(=O)NC)C12CCC2 1202921861 ZDGRDHAJDMTEMC-CHWSQXEVSA-N 307.394 -0.211 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)CNC(C)=O)C1 1207124832 HZJXVZLDOBAYFW-DGCLKSJQSA-N 310.398 -0.606 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCN(C(=O)CO[C@@H]2CCOC2)C1 1208022071 UGTHTYHDSDVOTM-CHWSQXEVSA-N 324.381 -0.988 30 20 DBED N#CCNC(=O)CN[C@H]1CCCN(C(=O)CCn2ccnc2)C1 1208848145 BSDVGIBZYQJJQQ-ZDUSSCGKSA-N 318.381 -0.506 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCN(C(=O)CCCCC(N)=O)C1 1210576397 PUCUQGAYMXSWFY-GFCCVEGCSA-N 323.397 -0.748 30 20 DBED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)c1cscn1 1211997380 SKVHVSUCXJXPEL-MWLCHTKSSA-N 323.378 -0.788 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2cnns2)C[C@H]1OC 1212262431 ONABKIOHLCVGPH-CHWSQXEVSA-N 324.406 -0.107 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)CCCOC 1217374953 NXOWQNIGDPLDCT-UONOGXRCSA-N 323.393 -0.926 30 20 DBED COCC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)C#CC1CC1 1217834628 HZZIWJZQXYDZQQ-JKSUJKDBSA-N 302.374 -0.039 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)CCCOC)C1 1219264716 QBOQVJUFALDBLD-UPJWGTAASA-N 313.398 -0.735 30 20 DBED C=CCNC(=O)CN1CC[C@@H]2CN(C(=O)CC(=O)N(C)C)[C@@H]2C1 1221858019 NIUKPZMYQZNWBL-CHWSQXEVSA-N 322.409 -0.700 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)COCC=C 1225355758 ITVHGRNFIZUDIR-ZIAGYGMSSA-N 307.394 -0.045 30 20 DBED N#CCN1CCC(NC(=O)CCn2cc[nH]c(=O)c2=O)CC1 1229625236 AYOXDKFAECBHAS-UHFFFAOYSA-N 305.338 -0.969 30 20 DBED CC#CCN1CCS(=O)(=O)[C@@H](CCNC(=O)COC)C1 1230399340 QTXHQEINTNHQKD-LBPRGKRZSA-N 302.396 -0.739 30 20 DBED CN(C[C@@H]1CCN1CC(=O)NCC#N)C(=O)C1=COCCC1 1231122302 KVIHHGZPBJRSSY-ZDUSSCGKSA-N 306.366 -0.147 30 20 DBED C=CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCN1C 1231255231 KJEFWQHOVIJFQK-KGLIPLIRSA-N 308.426 -0.085 30 20 DBED CNC(=O)NC(=O)CN(C)CCCNC(=O)CSCC#N 1234154658 ORZZBEFIGYCCKB-UHFFFAOYSA-N 315.399 -0.863 30 20 DBED C#CCCCC(=O)N1CC[C@H](NCCN(C)S(C)(=O)=O)C1 1265427578 NZNDQUXHFUALLB-ZDUSSCGKSA-N 315.439 -0.128 30 20 DBED N#CCCCOC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 1317812704 AGYONGBXNHUUBV-WDEREUQCSA-N 314.363 -0.131 30 20 DBED C=CC[C@H](CC)NC(=O)C(=O)Nc1ncn(CC(=O)N(C)C)n1 1321206010 CIDLBFDKYVUDMG-JTQLQIEISA-N 322.369 -0.224 30 20 DBED CS(=O)(=O)Nc1cccc(C(=O)NCC(=O)NCC#N)c1 1322533030 VJZBWGGGAHCYNX-UHFFFAOYSA-N 310.335 -0.572 30 20 DBED C=CCNC(=O)CNC(=O)c1nnn(-c2ccn(C)n2)c1C 1324267164 XVLYCVBAORODSL-UHFFFAOYSA-N 303.326 -0.659 30 20 DBED C[C@H](CS(C)(=O)=O)NC(=O)C(=O)N[C@@H]1CC[C@H](C#N)C1 1326239073 OQPBHUWLAHYNJH-KXUCPTDWSA-N 301.368 -0.656 30 20 DBED CS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)Nc2cccc(C#N)n2)C1 1326822243 YJTFPDDVPYUUSO-SNVBAGLBSA-N 322.346 -0.463 30 20 DBED C=CCOCCNC(=O)C(=O)NCc1nc(C(F)(F)F)n[nH]1 1327818431 LHYOZSIUCQDFPT-UHFFFAOYSA-N 321.259 -0.242 30 20 DBED C[C@@H](CNC(=O)C(=O)N1CCC[C@@H](CC#N)C1)S(C)(=O)=O 1328070494 VSUCKIAMTKZPOJ-QWRGUYRKSA-N 315.395 -0.312 30 20 DBED C#C[C@@H](C)NC(=O)C(=O)Nc1cnn(C(C)(C)C(=O)OC)c1 1328086417 SDVFVJMRPDSWTP-SECBINFHSA-N 306.322 -0.132 30 20 DBED O=C(CCN/C(O)=C1\N=CC=CC1=O)NCC(=O)OCC1CC1 1328351894 UAZJKWMGSYWYBK-CCEZHUSRSA-N 321.333 -0.028 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N[C@@H]1CCS(=O)(=O)[C@@H]1C 1333138523 LMCSHOQGNRWGSM-VXGBXAGGSA-N 310.375 -0.837 30 20 DBED N#Cc1cc(F)ccc1NC(=O)C(=O)N1C[C@@H](CO)[C@H](CO)C1 1335285700 RYVCLKKHKDZLJK-QWRGUYRKSA-N 321.308 -0.305 30 20 DBED C[C@@H](NC(=O)C(=O)Nc1sccc1C#N)c1nnnn1C 1336943977 VXDDHVMHOIFIFQ-ZCFIWIBFSA-N 305.323 -0.041 30 20 DBED C[C@@](C#N)(NC(=O)CN1CCC(OCC(N)=O)CC1)C1CC1 1340049433 UIWGLXNANDGRBI-HNNXBMFYSA-N 308.382 -0.239 30 20 DBED O=C(C[C@@H]1CSCCN1)NCCN/C(O)=C1\N=CC=CC1=O 1346029876 UWTJCVLRCMIGPK-WBNXYMAISA-N 324.406 -0.276 30 20 DBED N#Cc1cn(CC(=O)N[C@H](CO)CC2CCC2)c(=O)nc1O 1362912773 IGIMDUDOQRRBFO-NSHDSACASA-N 306.322 -0.512 30 20 DBED CN1CCCC[C@@H]1CNS(=O)(=O)N1CCO[C@@H](C#N)C1 1364051085 BZUXFXPAQANIOJ-NEPJUHHUSA-N 302.400 -0.471 30 20 DBED CC(C)OCC(=O)NC[C@H](O)CN(C)C(=O)c1cc(C#N)c[nH]1 1382954345 PQVRDTVFCDZKDX-LBPRGKRZSA-N 322.365 -0.140 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](C)NC(=O)CNC(=O)c1ccncc1 1387081418 AKNHJEXHCLVZCO-WDEREUQCSA-N 317.349 -0.408 30 20 DBED C[C@@H](CNC(=O)C(C)(C)N1CCOCC1)NC(=O)[C@@H](C)C#N 1389489039 UTIJVXRVNPSPEG-RYUDHWBXSA-N 310.398 -0.122 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CN(C)C(=O)Cn2ncnn2)CC1 1398510396 VZSBACJXSSZYQI-LLVKDONJSA-N 319.369 -0.470 30 20 DBED C[C@H](NC[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCO1)C(N)=O 1402610879 RPLIGUQPJQUGDW-GXSJLCMTSA-N 305.338 -0.809 30 20 DBED COC(=O)NCC(=O)N1CCC(N(C)C(=O)[C@H](C)C#N)CC1 1412267559 GLYNUZFHPAYTKZ-SNVBAGLBSA-N 310.354 -0.049 30 20 DBED C=C(Br)CNC[C@H](O)CNC(=O)c1cc[nH]n1 1422289143 KQDUEJUAWVHGEI-QMMMGPOBSA-N 303.160 -0.001 30 20 DBED C[C@@H](CNC(=O)c1cnnn1C)NC(=O)c1cc(C#N)c[nH]1 1431796937 ZVVWYVDCGMACNP-QMMMGPOBSA-N 301.310 -0.437 30 20 DBED CCC1(CO)CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)CC1 1433885112 ZFHLMEFDWOFRAM-UHFFFAOYSA-N 320.349 -0.168 30 20 DBED Cc1cc(NC(=O)CN2CC(O)(CNC(=O)[C@H](C)C#N)C2)no1 1440039528 UPSPPUTYPVGRIR-SECBINFHSA-N 321.337 -0.756 30 20 DBED N#Cc1cccc([C@@H]2C[C@H]2C(=O)N(CC(N)=O)CC(N)=O)c1 1443293639 PLTRLWSSJCDHLY-NWDGAFQWSA-N 300.318 -0.539 30 20 DBED C[C@@H](C#N)C(=O)NCCN1CCN(C(=O)C2=CCOCC2)CC1 1446925997 ZZJKYWWAKWQBNO-ZDUSSCGKSA-N 320.393 -0.247 30 20 DBED N#Cc1ccc(CS(=O)(=O)CC(=O)N2CC=C(N)N2)cc1 1455877677 DOUQTAPSDOIAIK-UHFFFAOYSA-N 306.347 -0.380 30 20 DBED C[C@@H](C#N)C(=O)NC1CN(Cc2nnnn2CC(F)(F)F)C1 1481551561 ZWAOPGOXZOUZHT-ZETCQYMHSA-N 317.275 -0.305 30 20 DBED CN1CCC[C@@H](NC[C@H](O)CNC(=O)c2cc(C#N)c[nH]2)C1=O 1482718931 RMTUXRHJLJFKKI-NWDGAFQWSA-N 319.365 -0.813 30 20 DBED CNC(=O)NCC(=O)N1CC2(CCCN(C(=O)[C@@H](C)C#N)C2)C1 1487386523 YXVSGEWXLSORTM-NSHDSACASA-N 321.381 -0.474 30 20 DBED COCCC(=O)N(C)C[C@@H](O)CNC(=O)c1c[nH]c(C#N)c1 1488315339 MNGMEOXEMPSPGX-LBPRGKRZSA-N 308.338 -0.528 30 20 DBED C=C(Cl)CN1CC(O)(CNC(=O)CCCn2cncn2)C1 1500959430 NBNMTYUHNIPCDB-UHFFFAOYSA-N 313.789 -0.026 30 20 DBED C#CCOCCN(C)C(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1 1521017688 CHZPAGUONUBRED-CYBMUJFWSA-N 323.374 -0.175 30 20 DBED CS[C@H](C)C(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1 1523842760 LMVBIXUGMIJECW-RKDXNWHRSA-N 304.393 -0.296 30 20 DBED CCCN(CCNC(=O)CN1CCOCC1=O)C(=O)[C@H](C)C#N 1529601267 WSSYMWYMSNENKG-GFCCVEGCSA-N 324.381 -0.640 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)c2ccc(C(N)=O)nc2)CC1 1535577987 FIDZYGWFJSXGJV-SECBINFHSA-N 315.333 -0.281 30 20 DBED N#Cc1cc(NC(=O)C2(n3cnnn3)CC2)ccc1-c1nn[nH]n1 1570930133 DWGXHAIAGLFJTI-UHFFFAOYSA-N 322.292 -0.147 30 20 DBED N#C[C@@]12CN(c3nccnc3C(=O)O)C[C@H]1CS(=O)(=O)C2 1571098371 RFHMZWGSMHNYIQ-UFBFGSQYSA-N 308.319 -0.451 30 20 DBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC1CNC1 1573580441 ZZUNRGPCVKTCKD-VIFPVBQESA-N 308.363 -0.687 30 20 DBED CC1(C)CNC[C@H]1C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1576473472 SUNFCWNDYIAUBJ-JMVABTLVSA-N 306.366 -0.125 30 20 DBED C=CCOC[C@@H]1NC(=O)N(CC2(C(=O)O)CCOCC2)C1=O 1588465182 OIGBREOHJGNEEF-JTQLQIEISA-N 312.322 -0.009 30 20 DBED C#CCSCCNC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O 1588506336 QFFGXQNTAMWJAO-IUCAKERBSA-N 301.368 -0.370 30 20 DBED C[C@](C#N)(CC(=O)O)C(=O)NC[C@@H]1CCCS(=O)(=O)C1 1588557741 LCKDHAOYONWDEA-JOYOIKCWSA-N 302.352 -0.068 30 20 DBED C=C[C@@H](O)c1nnc(N2C[C@H]3COCC[C@@]3(C(=O)O)C2)n1C 1588704568 GTOLMKZMJSUXSO-IMSIIYSGSA-N 308.338 -0.038 30 20 DBED C[C@@H](CN(C)C(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1)C(=O)O 1589021168 YGEHGIJPCFMHOU-CMPLNLGQSA-N 322.365 -0.636 30 20 DBED OCC#CCNC[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 1593523401 WHDVCESADAKQOA-GFCCVEGCSA-N 303.322 -0.808 30 20 DBED C=CC[C@H](C(=O)O)N1CCN([C@@]2(C(=O)OC)CCOC2)CC1 1602834605 ACKVMBWLDQWYNT-DOMZBBRYSA-N 312.366 -0.035 30 20 DBED COC(=O)CN(CC(=O)O)C(=O)c1cnn(CCC#N)c1C 1606468281 VRTMTJPSVYKMNO-UHFFFAOYSA-N 308.294 -0.195 30 20 DBED N#C[C@H]1CN(S(=O)(=O)N[C@@]2(C(=O)O)CCSC2)CCO1 1608179951 RAOHHZZORQSMDE-WPRPVWTQSA-N 321.380 -0.995 30 20 DBED C=CCCOCCNC(=O)[C@H](C)n1cnc(-c2nn[nH]n2)n1 1609055077 PJJJHBBMQXVPDN-VIFPVBQESA-N 306.330 -0.272 30 20 DBED C=CCCCNC[C@H]1CCCN1C(=O)CN1CCNC(=O)C1 1699756365 LQVWJXQOTRASJD-CQSZACIVSA-N 308.426 -0.035 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@H]1CCCN1C(=O)Cn1cccn1 1714332180 CNMKPJMMMDOADR-ZIAGYGMSSA-N 317.393 -0.398 30 20 DBED Cc1c[nH]c(C(=O)N2CCC[C@@H](N(C)CC(=O)NCC#N)C2)n1 1752998688 JZFVPFMFUARVFY-GFCCVEGCSA-N 318.381 -0.106 30 20 DBED C=CCOCC(=O)NC1CN([C@@H](C)C(=O)NC(=O)NC2CC2)C1 1753372814 BPAXISVBKGZWCO-JTQLQIEISA-N 324.381 -0.634 30 20 DBED C=CCOCCN1CCO[C@H](CNC(=O)c2cnn(C)c2N)C1 1753650480 TWFFHDBSMIOXBS-GFCCVEGCSA-N 323.397 -0.365 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@@H](C)N(C)C(=O)C1=CCOCC1 1753686847 XSZYCAHTIWOVOA-OLZOCXBDSA-N 307.394 -0.093 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)COCC2CC2)C[C@H]1C 1753771464 ZVIXZKIGEUKZSO-UKRRQHHQSA-N 321.421 -0.011 30 20 DBED CC(C)C#CC(=O)NC[C@H](NCCN1C(=O)CNC1=O)C(C)C 1753830126 USTNKIOZTLVFHD-ZDUSSCGKSA-N 322.409 -0.072 30 20 DBED C#CCCNC[C@@H](O)CNC(=O)c1ccccc1-n1ccnn1 1753947093 NJYXHGKBHWLNFW-CYBMUJFWSA-N 313.361 -0.029 30 20 DBED C#CCNC(=O)CNC[C@@H](C)NC(=O)C(=O)N1CCC[C@@H](C)C1 1754243662 AZYGCDHTMQOBCL-CHWSQXEVSA-N 322.409 -0.911 30 20 DBED C#CCNC(=O)[C@H](C)N(C)C[C@@H](C)NC(=O)c1nc(C)c[nH]1 1754336182 HGAASGCMBCXJDY-NEPJUHHUSA-N 305.382 -0.094 30 20 DBED C#CCN1CCC(C(=O)N[C@@H](C)CN(C)[C@H]2CCNC2=O)CC1 1754337554 WAZPKQSNAMUJJX-ZFWWWQNUSA-N 320.437 -0.343 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCN(C)C(=O)[C@@H]1CCN(C)C1=O 1754390398 RBBXELMMDVECMM-OLZOCXBDSA-N 322.409 -0.959 30 20 DBED COCC#CCNC1(CNC(=O)C(=O)Nc2cc(C)on2)CC1 1754533163 NKYVATUCWSVXII-UHFFFAOYSA-N 320.349 -0.190 30 20 DBED CCn1ccnc1C(=O)NC[C@@]1(O)CCN(CC#CCOC)C1 1754749403 UYGAMWMXUFMDIF-INIZCTEOSA-N 320.393 -0.281 30 20 DBED C#CCCN1CC[C@@](O)(CNC(=O)[C@@H]2CCCN2CC#C)C1 1754755186 VHLFBXFKLOKDRE-DOTOQJQBSA-N 303.406 -0.340 30 20 DBED C=CCN1CC[C@@H](NC(=O)CS(=O)(=O)NC)C(C)(C)C1 1755142936 FIGXNCMWEPJLOM-LLVKDONJSA-N 303.428 -0.062 30 20 DBED CC#CCN1CCC(CO)(NC(=O)CO[C@H]2CCOC2)CC1 1755177054 BMROERULDLSVQS-AWEZNQCLSA-N 310.394 -0.242 30 20 DBED C#CCN1CCC(C(=O)NC2(CO)CCN(CC#N)CC2)CC1 1755181882 BJHJRYMETLEPLU-UHFFFAOYSA-N 318.421 -0.202 30 20 DBED C#CCCN1CC(CCO)(NC(=O)[C@H](C)CS(C)(=O)=O)C1 1755344788 UJDLZSITINQRRK-GFCCVEGCSA-N 316.423 -0.757 30 20 DBED C#CCNC(=O)CN1CCC[C@@H](NC(=O)c2cn(C)cn2)[C@@H]1C 1755732469 WFRKBWYSOLHQCO-QWHCGFSZSA-N 317.393 -0.248 30 20 DBED COCC#CCNC[C@H]1CC[C@H](NC(=O)c2c[nH]c(=O)cn2)C1 1755743798 NKOIYIRBJFHLQH-STQMWFEESA-N 318.377 -0.092 30 20 DBED C#CCCNC[C@H](O)CN(C)C(=O)[C@H]1CCN(C(=O)CC)C1 1755791493 LXLXRIWTTLJXDX-KBPBESRZSA-N 309.410 -0.323 30 20 DBED C#CCN(C)C[C@@H](O)CN(C)C(=O)[C@H]1CCc2ncncc2C1 1755802089 PHRWCKZQXFKCHX-DZGCQCFKSA-N 316.405 -0.034 30 20 DBED O=C(C#CC1CC1)NC[C@@H](CO)NC(=O)c1ncccc1F 1756520016 SMPCDGBSUHIDFL-NSHDSACASA-N 305.309 -0.159 30 20 DBED C=CCCC(=O)N[C@H](CO)CNC(=O)c1nccn2ccnc12 1756542397 JHJPQLMODHQKHE-NSHDSACASA-N 317.349 -0.098 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CN(C(=O)[C@@]2(F)CCOC2)C[C@H]1O 1756995886 POFVVRAMEJRLSO-LALPHHSUSA-N 310.325 -0.784 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCO[C@@](C)(C(=O)O)C1 1776857436 OJIFLXRRZXISSC-CMPLNLGQSA-N 319.383 -0.112 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](C)n1ccnc1)CCO2 1783046412 NTLUXLYHRWCLSQ-XJKSGUPXSA-N 316.361 -0.093 30 20 DBED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cn[nH]c3)C[C@@H]21 1790791618 JYBKESQNATVDCC-DRZSPHRISA-N 302.334 -0.364 30 20 DBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)C(F)F)C2)C1 1839806742 JVIRRYNSENHECL-CYBMUJFWSA-N 302.277 -0.659 30 20 DBED O=C(O)C#CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C1CC(O)C1 1847515688 YALPQVRRUUYMID-QQFIATSDSA-N 306.318 -0.953 30 20 DBED N#Cc1ccc(N2CCN(CCC(=O)NC(N)=O)CC2)nc1 60481084 ZRYDHERVHOFTIG-UHFFFAOYSA-N 302.338 -0.340 30 20 DBED CC(C)[C@@H](C#N)N1CCN(C(=O)[C@@H](C)NS(C)(=O)=O)CC1 74251249 FFGNYSMZUISLJK-VXGBXAGGSA-N 316.427 -0.384 30 20 DBED N#Cc1cc(F)ccc1CN1CCN2C(=O)C(=O)NC[C@@H]2C1 152663092 CVKRBTZFACLOFZ-CYBMUJFWSA-N 302.309 -0.160 30 20 DBED C=CCNC(=O)[C@@H](C)Nc1cnn(CC(=O)N2CCOCC2)c1 186344657 DTAXCMMMTYTIRI-GFCCVEGCSA-N 321.381 -0.156 30 20 DBED COCCO[C@H]1CCCN(c2c(C#N)c(=O)n(C)c(=O)n2C)C1 193552449 DGNKOMDZWDEKCZ-NSHDSACASA-N 322.365 -0.413 30 20 DBED C/N=C(/NCCN1C(=O)CNC1=O)NC[C@@]1(C)CCCS1 261959962 JYVXQQDFCIJOIH-CYBMUJFWSA-N 313.427 -0.011 30 20 DBED N/C(=N/CCN1CCNC(=O)C1)N[C@H]1CCOc2ccccc21 262290140 YJJVOXRMWZJBHH-ZDUSSCGKSA-N 317.393 -0.154 30 20 DBED CC1CCN(/C(=N/CC(=O)N(C)C)NCC(=O)N(C)C)CC1 262345515 XUCIEUZQRBWPFQ-UHFFFAOYSA-N 311.430 -0.160 30 20 DBED C/N=C(/NC[C@@H](O)C(F)(F)F)N[C@H]1CCc2ncnn2C1 262765929 GARRXKDQXFIBNW-JGVFFNPUSA-N 306.292 -0.319 30 20 DBED C=CCN(C(=O)[C@@H]1C[C@@H]1C(=O)OC)[C@H]1CCS(=O)(=O)C1 263895295 NHTJWDQKYFYSPT-AXFHLTTASA-N 301.364 -0.003 30 20 DBED C#Cc1cccc(NC(=O)C(=O)NC[C@@H]2CN(C)CCN2C)c1 264807161 JJOBNVXHOGCYJO-OAHLLOKOSA-N 314.389 -0.032 30 20 DBED C=C(C)CN1CCC(NC(=O)CN2C(=O)C(=O)N(C)C2=O)CC1 264928863 RRVLZKXMXLOIKY-UHFFFAOYSA-N 322.365 -0.436 30 20 DBED COCCNC(=O)CN1CCN(c2cccnc2C#N)CC1 273932296 CJNKFTUGCWILFH-UHFFFAOYSA-N 303.366 -0.162 30 20 DBED C=CCN(C)C(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 275035471 PBDIDEBPDHFWOW-UHFFFAOYSA-N 305.338 -0.532 30 20 DBED N#Cc1ccc(C[C@H](C#N)C(=O)N2CCO[C@H](C(N)=O)C2)cc1 279539183 NCOQHIDGGKMNFN-KGLIPLIRSA-N 312.329 -0.047 30 20 DBED C[C@@H]1CN(C(=O)CNC(=O)c2ccc(C#N)cc2)CC(=O)N1C 282392374 OKQJCMQHFLDPAU-LLVKDONJSA-N 314.345 -0.023 30 20 DBED C=CCCCCNC(=O)C(=O)NCCC(=O)N1CCN(C)CC1 284654393 SWRFWPUATCKJLO-UHFFFAOYSA-N 324.425 -0.261 30 20 DBED CCCS(=O)(=O)N1CCC[C@@H]1/C(O)=N/CCn1ncnn1 328752997 NNQLZRRCBIHLMB-SNVBAGLBSA-N 316.387 -0.166 30 20 DBED C[C@H]1CN(/C(O)=N/[C@@H]2CCN(C)C2=O)C[C@@H](C)S1(=O)=O 329613946 OYNFXQUJVMVHPW-KXUCPTDWSA-N 303.384 -0.362 30 20 DBED O/C(=N/[C@@H]1CCc2ncnn2C1)N1CCN2CCOC[C@H]2C1 329807822 BMVACEKHIHFLDW-VXGBXAGGSA-N 306.370 -0.477 30 20 DBED C[C@@H](CN1CCOCC1)C(=O)N(C)CC/N=C(/O)N(C)C 330662091 PEAMLEALZCOHDL-LBPRGKRZSA-N 300.403 -0.111 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)NCCS(=O)(=O)NC1CC1 331797219 WIJZLBKWXMJLEV-SECBINFHSA-N 324.428 -0.863 30 20 DBED CC[C@@H]1CN(S(=O)(=O)N2CCO[C@H](C#N)C2)CCCO1 337201440 FXXQVFDELOSRTQ-VXGBXAGGSA-N 303.384 -0.044 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H]1C(=O)NCC[C@H]1C 337206932 NLNOYATULAXWHW-MXWKQRLJSA-N 302.400 -0.173 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC[C@H](S(C)(=O)=O)C1 337809393 LEJWUBIQDMBWFY-QWRGUYRKSA-N 323.440 -0.026 30 20 DBED N#Cc1cc(NC(=O)C(=O)N2CCO[C@@H](C(N)=O)C2)ccc1F 343143972 TXXXQDNZKNLGKU-LLVKDONJSA-N 320.280 -0.651 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)Nc2nc(C)n(C)n2)C1=O 344543345 QEFPWLHYGFQBBQ-UHFFFAOYSA-N 306.282 -0.961 30 20 DBED C=CC[C@@H](C)NC(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1 346179258 JYYRXEGRPVHVEE-MRVPVSSYSA-N 315.351 -0.262 30 20 DBED C=CCNC(=O)CNC(=O)[C@H](NS(C)(=O)=O)[C@H](C)CC 347888120 BVWKAAKNAZXEPD-MWLCHTKSSA-N 305.400 -0.631 30 20 DBED C=CCN1CC[C@H](N(C)S(=O)(=O)C[C@H](C)C(=O)OC)C1=O 350223981 NBYBGXGHNQYNHH-QWRGUYRKSA-N 318.395 -0.156 30 20 DBED CC[C@@H](CC#N)NC(=O)CN1CCN(S(C)(=O)=O)CC1 358061056 UVQLNLSZWZXOTK-NSHDSACASA-N 302.400 -0.628 30 20 DBED C[C@@H](C#N)CN(C)C(=O)C(=O)N1CCN(CC(C)(C)O)CC1 410468989 MSRTVDBLJKBTOC-LBPRGKRZSA-N 310.398 -0.480 30 20 DBED CCOC(=O)COCCNS(=O)(=O)N(CC)C[C@@H](C)C#N 451783370 UYSIPQDCAJIQHD-NSHDSACASA-N 321.399 -0.118 30 20 DBED C=CCn1cccc1C(=O)N1CCO[C@H](CN(C)CC(N)=O)C1 488927516 XTQBFVZZCGOCKP-CYBMUJFWSA-N 320.393 -0.068 30 20 DBED C#CCNS(=O)(=O)c1cccc(C(=O)N(C)CC(=O)O)c1 490822149 ZVRYRVWYZBSSHI-UHFFFAOYSA-N 310.331 -0.245 30 20 DBED C#CCN(C)CCCNC(=O)[C@](C)(O)Cn1ccccc1=O 491736638 UWGPAPLHQIYKHI-MRXNPFEDSA-N 305.378 -0.329 30 20 DBED C#C[C@@H](CC)NC(=O)N1CCN(C(=O)C(=O)NC(C)C)CC1 491783038 NBPDBKZPKIMQLT-LBPRGKRZSA-N 308.382 -0.223 30 20 DBED CN1CCOC[C@H]1C(=O)N1CCN(c2cnccc2C#N)CC1 553698479 VZLRIHXEOVORPW-HNNXBMFYSA-N 315.377 -0.068 30 20 DBED N#Cc1ccc(S(=O)(=O)N[C@@H](C(=O)O)[C@H]2CCOC2)o1 558473722 MPYSUKQHOJDLPI-OIBJUYFYSA-N 300.292 -0.081 30 20 DBED CN(C(=O)NCC1(C#N)CC1)[C@H]1CCN(S(C)(=O)=O)C1 581241867 ADTOIGQRSYEUHY-JTQLQIEISA-N 300.384 -0.035 30 20 DBED COCCN(CCC#N)S(=O)(=O)N(C[C@@H](C)O)C1CC1 594491893 SIZVOFWVTIGICQ-LLVKDONJSA-N 305.400 -0.062 30 20 DBED CN(CC(C)(C)C#N)C(=O)NCCOCCS(N)(=O)=O 596622491 GZPVGPRDGROELD-UHFFFAOYSA-N 306.388 -0.517 30 20 DBED C=C[C@H](O)C(=O)N1CCS(=O)(=O)C[C@@H]1c1cnn(CC)c1 597535470 BJUCWJJQNOGZBO-NEPJUHHUSA-N 313.379 -0.252 30 20 DBED COC[C@@H](C)NC(=O)NC(=O)CN1CCN(CCC#N)CC1 611173791 LBWXENMDFWNMMJ-GFCCVEGCSA-N 311.386 -0.622 30 20 DBED N#C[C@]1(F)CCN(C(=O)NCCN2CCCS2(=O)=O)C1 615536585 DYDOTHAOEIZQHF-LLVKDONJSA-N 304.347 -0.331 30 20 DBED C=C[C@@H](O)C(=O)NC[C@@H](NS(=O)(=O)N(C)C)C1CCCC1 616206568 NTOMVJAFBHJWKJ-VXGBXAGGSA-N 319.427 -0.396 30 20 DBED C=C[C@@H]1OCC[C@H]1NC(=O)N[C@H]1CS(=O)(=O)C[C@@H]1OC 661272287 TYMGEGNHPWXKHF-RCWTZXSCSA-N 304.368 -0.559 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccc(=O)n(CC)n1 732370640 PTUARQDWWMFWOD-SECBINFHSA-N 322.321 -0.180 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)Cn1nnnc1C(C)C 747028058 ADTCYSPNFDKSOR-UHFFFAOYSA-N 310.314 -0.649 30 20 DBED C=CCN(C(=O)CCN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 751353359 DRJBDRSYORZETQ-CYBMUJFWSA-N 316.423 -0.090 30 20 DBED C#CCNC(=O)COC(=O)CCOc1cccc(C(N)=O)c1 751682509 SUKTVMYONXAKNK-UHFFFAOYSA-N 304.302 -0.153 30 20 DBED CNC(=O)[C@@H](O)CNS(=O)(=O)c1c(F)cc(C#N)cc1F 757725384 JMIIGVHYUPMQIP-VIFPVBQESA-N 319.289 -0.778 30 20 DBED C#C[C@H](NS(=O)(=O)CCCN1CCOCC1)[C@H]1CCCO1 773054369 KDVBWNLOAWNKSJ-UONOGXRCSA-N 316.423 -0.191 30 20 DBED C#CCCN1CCN([C@H](C)C(=O)N2CCC[C@@H](C(N)=O)C2)CC1 776593262 DUYRQLWQMCEFRF-HUUCEWRRSA-N 320.437 -0.260 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N1CCN(CCOC)CC1 783304982 ZVQCASXAZJLQLX-UHFFFAOYSA-N 319.427 -0.439 30 20 DBED COC[C@H](C)NC(=O)NC(=O)COC(=O)c1ccc(C#N)[nH]1 786093485 WTKZWBABRRMGFQ-QMMMGPOBSA-N 308.294 -0.096 30 20 DBED CCN1CCN(C(=O)C(=O)Nc2cnn(CC#N)c2)[C@H](C)C1 807319305 YIAMEAVHGSEFNH-LLVKDONJSA-N 304.354 -0.102 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCOC[C@H]1C1CC1)[C@H]1CCCO1 809305507 FAROKMIKICJUEZ-MELADBBJSA-N 306.362 -0.079 30 20 DBED C#CCCS(=O)(=O)NC(=O)CCn1cc([N+](=O)[O-])nc1C 810780977 YSDUJQOEMMYXJC-UHFFFAOYSA-N 314.323 -0.041 30 20 DBED C=C[C@H](O)C(=O)O[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)C(C)C 814546443 CJNDHIQBZKNMRB-WOPDTQHZSA-N 312.366 -0.175 30 20 DBED CN(CCC#N)C[C@H](O)CNCCS(=O)(=O)C(C)(C)C 819059698 AZPQPDJATPIINQ-GFCCVEGCSA-N 305.444 -0.004 30 20 DBED C[C@@](C#N)(CC(=O)O)C(=O)N[C@H]1CCN(C2CCOCC2)C1=O 819820985 BVCLBXFVDGTEGY-NHYWBVRUSA-N 323.349 -0.113 30 20 DBED C[C@](C#N)(CC(=O)O)C(=O)NCCNC(=O)c1cccnc1 819841604 BQLLRSBMNAFUPB-CQSZACIVSA-N 304.306 -0.068 30 20 DBED CCOC(=O)N1CCN(C(=O)CN(CC#N)CC(=O)O)CC1 829861828 VNQNBLHODUYQJF-UHFFFAOYSA-N 312.326 -0.803 30 20 DBED C#CCO[C@@H](C)C(=O)NC1(CNC(=O)[C@@H](C)OCC#C)CC1 831237377 SUPKAVCMPZPXDP-OLZOCXBDSA-N 306.362 -0.172 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)C[C@@H](C)SC)CC1 831565013 LNMAYKXHOYBVFK-LLVKDONJSA-N 319.452 -0.260 30 20 DBED C[C@H](CC(=O)N[C@H](C)CN)/N=C1/NS(=O)(=O)c2ccccc21 834521633 OXWGXNYHVRNNID-NXEZZACHSA-N 324.406 -0.033 30 20 DBED CCOC(=O)CON=C(C(=O)N[C@H]1C[C@H](O)C1)c1cc[nH]n1 856395786 XEUJGJATRDDODW-KYZUINATSA-N 310.310 -0.667 30 20 DBED C#CC1(O)CN(C(=O)CNC(=O)c2ccc(OC)c(OC)c2)C1 890519496 KWKDVMRRYGZKRE-UHFFFAOYSA-N 318.329 -0.360 30 20 DBED C=C(C)CN(CC)C(=O)COC(=O)CNC(=O)CNC(C)=O 917325568 MYUDNIFJDYTUEF-UHFFFAOYSA-N 313.354 -0.794 30 20 DBED CN1CC[C@H](C(=O)N(C)[C@H]2CCN(C(=O)C#CC3CC3)C2)C1=O 937349773 LHFGTYKRUYHEOF-KBPBESRZSA-N 317.389 -0.063 30 20 DBED C[C@H](C#N)C(=O)N1CC(N(C)C(=O)[C@H]2CCCC(=O)N2C)C1 955009128 YDFWSCJEWKXRBB-ZYHUDNBSSA-N 306.366 -0.174 30 20 DBED Cn1cnc2cncc(C(=O)NC[C@@H]3CN(CC#N)C[C@H]3O)c21 958151064 DQOPLJFVWYDBLF-ZWNOBZJWSA-N 314.349 -0.486 30 20 DBED Cc1nscc1C(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1O 962384818 DTSLHQHZIVJSCD-XROYCOCOSA-N 308.363 -0.087 30 20 DBED C[C@H](C#N)C(=O)N1CCOC2(CN(C(=O)[C@@H]3CCCO3)C2)C1 965470986 ITGHKMPKFJGAJR-NEPJUHHUSA-N 307.350 -0.235 30 20 DBED C#CCN1CCC(C(=O)N2CC3(C[C@@H](NC(C)=O)CO3)C2)CC1 965569277 AFTXZHJDHXVWJR-OAHLLOKOSA-N 319.405 -0.162 30 20 DBED C[C@H](C#N)C(=O)N1CC2(C[C@H](NC(=O)c3cnn(C)c3)CO2)C1 965620379 XAHMSYMESXAPOT-PWSUYJOCSA-N 317.349 -0.321 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H](NC(=O)[C@H](C)N2CCOCC2)C1 965988751 CHJRNVQERQMMLK-MELADBBJSA-N 322.409 -0.026 30 20 DBED C[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)c1ncn(C)n1 966396364 FTELHXJAZRTJRW-CMPLNLGQSA-N 301.350 -0.195 30 20 DBED N#CCN1C[C@H]2CC[C@H]1CN2C(=O)[C@H]1CCc2nnnn2CC1 971845306 XISNRYJFDMRQNE-RWMBFGLXSA-N 315.381 -0.176 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)c3ccc(C(N)=O)o3)C2)C1 972457407 COZSUSOLXWNMMX-MRXNPFEDSA-N 317.345 -0.071 30 20 DBED CN(C[C@@H]1CCN1C(=O)c1cnn[nH]1)C(=O)c1ccc(C#N)[nH]1 977563176 CAVKHIVNLOZSGM-JTQLQIEISA-N 313.321 -0.009 30 20 DBED CN(C[C@H]1CCN1C(=O)C#CC1CC1)C(=O)[C@@H]1COC(=O)N1 977657892 PVAMHVVGRSFGIY-NEPJUHHUSA-N 305.334 -0.433 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2CCC[C@@H](NC(=O)C(N)=O)C2)nc1 983672250 SRAUYVJKDOZIGR-NWDGAFQWSA-N 314.345 -0.295 30 20 DBED C[C@H](C#N)C(=O)N1CCCCC[C@@H](NC(=O)Cn2cnnn2)C1 987129199 KDBJSVZFMPMPDB-VXGBXAGGSA-N 319.369 -0.280 30 20 DBED O=C(N[C@@H]1CCN(C(=O)C#CC2CC2)C[C@H]1O)[C@@H]1[C@H]2COC[C@H]21 991694076 JQWXIKMBCHQYRX-SGPHBRAGSA-N 318.373 -0.630 30 20 DBED C#CCN[C@@H]1CCC[C@H]2CN(C(=O)CN3C(=O)CNC3=O)C[C@H]21 992897934 ACGKIPKIVQIZLC-YNEHKIRRSA-N 318.377 -0.612 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CN(C(=O)c3cnn(C)n3)C[C@@]2(C)C1 993342528 DUSHZIJSJGABSH-JRPNMDOOSA-N 316.365 -0.105 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)CCc3cnn[nH]3)C2)cn1 997102594 UHSUPVVKOZNEFF-UHFFFAOYSA-N 324.344 -0.246 30 20 DBED N#Cc1cc(C(=O)N2CC(CNC(=O)[C@H]3CCC(=O)N3)C2)c[nH]1 1001204829 RYRDMEYSIOTZOH-GFCCVEGCSA-N 315.333 -0.647 30 20 DBED C[C@@H](C#N)C(=O)N1CCNC(=O)CCN(C(=O)[C@H]2C[C@@H]2C)CC1 1001761596 QWKWSWIJCDELSZ-AVGNSLFASA-N 320.393 -0.021 30 20 DBED O=C(NCC1CN(C(=O)C#CC2CC2)C1)c1ccc2nnnn2c1 1003206537 KLOYDEMFOOBKDI-UHFFFAOYSA-N 324.344 -0.274 30 20 DBED COc1c(C(=O)NCC2CN(C(=O)[C@@H](C)C#N)C2)cnn1C 1003506594 YSSVZAIUJFUZJV-VIFPVBQESA-N 305.338 -0.223 30 20 DBED C[C@@H](NC(=O)c1c[nH]c(C#N)c1)C1CN(C(=O)c2nc[nH]n2)C1 1005942921 GHWOADGXGWTEDW-MRVPVSSYSA-N 313.321 -0.105 30 20 DBED C=C1CC(C)(C(=O)N2CCN(C(=O)Cn3ncnn3)CC2)C1 1011176714 QRYZWXPXQZEUAW-UHFFFAOYSA-N 304.354 -0.300 30 20 DBED C[C@@H]1C[C@@H](NC(=O)c2cn(C)nn2)CN1C(=O)C#CC1CC1 1012583363 YPPFWIVZLMBOFI-ZYHUDNBSSA-N 301.350 -0.052 30 20 DBED C[C@@H]1C[C@@H](NC(=O)Cn2nccn2)CN1C(=O)C#CC1CC1 1012589287 WQSNXYNHEUXDLL-DGCLKSJQSA-N 301.350 -0.203 30 20 DBED N#Cc1ccc(C(=O)NC2[C@H]3CN(C(=O)c4cnon4)C[C@H]23)[nH]1 1012969497 APEXMNKZEGLREK-IUCAKERBSA-N 312.289 -0.230 30 20 DBED Cc1ccn(CC(=O)NC2[C@@H]3CN(C(=O)[C@@H](C)C#N)C[C@@H]23)n1 1013807554 WVEFSZQDRPHQJQ-MVWJERBFSA-N 301.350 -0.076 30 20 DBED CC#CCN1CC[C@H](NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 1014431589 YAHCZSQITOXFHG-STQMWFEESA-N 315.377 -0.024 30 20 DBED NC(=O)C(=O)N[C@@H]1CCC[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]21 1014579977 FFGFJZOWZYGFON-JHJVBQTASA-N 303.362 -0.372 30 20 DBED C[C@@H](C#N)C(=O)N1CC=C(CNC(=O)[C@H]2COCCN2C)CC1 1017394997 NMZMYHDJHUSAGO-GXTWGEPZSA-N 320.393 -0.248 30 20 DBED C=C(Cl)CN[C@H]1C[C@@H](NC(=O)CN2C(=O)CNC2=O)C1 1023064929 VGBWNSMVAPXBFI-DTORHVGOSA-N 300.746 -0.473 30 20 DBED C#CCN[C@@H]1CC[C@@H]2CN(C(=O)c3cn(C)c(=O)cn3)C[C@@H]21 1026318562 YIXUXOVVQIFNCU-FRRDWIJNSA-N 300.362 -0.146 30 20 DBED CC#CCN1CC(NC(=O)c2ccc(OCC(N)=O)cc2)C1 1030640119 RALKDZDLRLDWFB-UHFFFAOYSA-N 301.346 -0.012 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)CN2CCS(=O)(=O)CC2)C1 1033660215 OHJJFNCPPNWFTR-CYBMUJFWSA-N 315.439 -0.565 30 20 DBED CC#CCN1CCO[C@H](CNC(=O)c2cccnc2C(N)=O)C1 1035615677 YTNKLAXVVHDBLF-GFCCVEGCSA-N 316.361 -0.366 30 20 DBED C=C(C)CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)CN1CCN(C)C(=O)C1 1037464669 SZLMGYCPKVAFBN-KEYYUXOJSA-N 320.437 -0.085 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@@H]2CCN2CC(=O)N2CCC2)c1 1038153362 PCFIIYBYIBBNJK-LBPRGKRZSA-N 301.350 -0.077 30 20 DBED C#CCCN1CC[C@@H]1CNC(=O)[C@H]1CCc2nnnn2CC1 1038723494 NFEYFFFOWLPZDD-QWHCGFSZSA-N 302.382 -0.161 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@]1(O)CCN(C(=O)c2ncc[nH]2)C1 1039720749 DFQPLBVMLZXQPF-XHDPSFHLSA-N 320.349 -0.859 30 20 DBED Cc1nc(O)[nH]c1C(=O)NC[C@]1(O)CCN(C(=O)[C@H](C)C#N)C1 1040131240 YOJVDCVWQZYMDW-XLKFXECMSA-N 321.337 -0.723 30 20 DBED C=CCOCC(=O)N1CC[C@](O)(CNC(=O)c2nonc2C)C1 1040221583 WASTVUNGKLAJPU-AWEZNQCLSA-N 324.337 -0.726 30 20 DBED CC[C@@H](C(=O)NC[C@]1(O)CCN(C(=O)C#CC2CC2)C1)N(C)C 1040357695 BBFMISSTZZPYFW-WMLDXEAASA-N 321.421 -0.180 30 20 DBED C[C@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)Cc2cccnc2)C1 1040759619 BVVZODPABMWIRY-MLGOLLRUSA-N 316.361 -0.137 30 20 DBED COCC1(C(=O)N2CC[C@](O)(CNC(=O)[C@H](C)C#N)C2)CC1 1040760860 AIMPXUSYTWPIBU-ABAIWWIYSA-N 309.366 -0.348 30 20 DBED C[C@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)Cc2cc[nH]n2)C1 1040762509 JDEBQAYWPJIOEY-YGRLFVJLSA-N 305.338 -0.809 30 20 DBED N#Cc1cccnc1N1C[C@@H](O)[C@H](NC(=O)c2cncnc2)C1 1040995896 RDUCMZZSSMCQSP-CHWSQXEVSA-N 310.317 -0.277 30 20 DBED C=C[C@H](C)[C@H](C)C(=O)N1CC(O)(CNC(=O)CNC(C)=O)C1 1041216573 ZUGNWCFHVVSQMF-QWRGUYRKSA-N 311.382 -0.730 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)C2CCN(C)CC2)C1 1042801838 WFCFHHIYPYBVTR-UHFFFAOYSA-N 321.421 -0.179 30 20 DBED CC(C)[C@@H](C(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1)N(C)C 1042961483 YUXUVDBZJPXXDU-HNNXBMFYSA-N 321.421 -0.325 30 20 DBED CO[C@H](C)C(=O)N1CCO[C@@H]2CN(c3ccnc(C#N)n3)C[C@@H]21 1043669822 MHYSJUWNLXYTLF-GRYCIOLGSA-N 317.349 -0.201 30 20 DBED N#CCN1CC[C@H](N2CCN(C(=O)[C@H]3CCC(=O)N3)CC2)C1 1046012911 RDHFDNYDEQLSJE-QWHCGFSZSA-N 305.382 -0.993 30 20 DBED CC#CCN1CC[C@H](N2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)C1 1046064758 UBJPNXPQSMFFHT-ZNMIVQPWSA-N 318.421 -0.650 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C(N)=O)cn2)C1 1047645038 BKIMYBGWCFOIQB-KBPBESRZSA-N 316.361 -0.679 30 20 DBED C=CCOCC(=O)N(C)[C@H]1CN(C(=O)[C@H](C)SC)C[C@@H]1O 1048554657 CHSOAZDVTZGGFC-SRVKXCTJSA-N 316.423 -0.029 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)OCC#C)C1 1048852662 RDTHBWJEZYXYJR-ILXRZTDVSA-N 320.389 -0.142 30 20 DBED C#CCCN1C[C@H]2CN(C(=O)CN3CCCNC3=O)C[C@H]2C1 1048917958 VRGGDEFPEIPVCJ-OKILXGFUSA-N 304.394 -0.185 30 20 DBED C#CCOCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)C#N)C1 1049402548 UOBOZUCAQQPAOC-AGIUHOORSA-N 307.350 -0.784 30 20 DBED C#CCCN1C[C@@H]2CCCN(C(=O)c3nnc(O)nc3O)[C@@H]2C1 1050087399 HLJRGUFLXHUAKA-WDEREUQCSA-N 317.349 -0.158 30 20 DBED C#CCN1C[C@@H]2CCCN(C(=O)c3cnc(O)n(C)c3=O)[C@@H]2C1 1050111494 ISLVDBJDDBOICE-WCQYABFASA-N 316.361 -0.345 30 20 DBED C#CCN1C[C@@H]2CCCN(C(=O)Cn3nc(C)n(C)c3=O)[C@@H]2C1 1050194157 XNLLABNLIGQOCN-UONOGXRCSA-N 317.393 -0.554 30 20 DBED C=CCOCC(=O)N1CC[C@@H]([C@@H](C)NC(=O)Cc2nc[nH]n2)C1 1050306327 WNQIETFYCJKXAO-VXGBXAGGSA-N 321.381 -0.097 30 20 DBED N#CCN1CCC2(CC1)CN(C(=O)CN1CCCNC1=O)C2 1050580519 QPGALMGXDUKUBM-UHFFFAOYSA-N 305.382 -0.150 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2COCCN2C[C@@H](C)OC)nn1 1051155901 MEQVQFNLNVIRCJ-OLZOCXBDSA-N 323.397 -0.070 30 20 DBED N#CCN1CCOC[C@@H]1CNC(=O)c1cn([C@@H]2CCOC2)nn1 1051204079 UPZIECMORYJJSL-NEPJUHHUSA-N 320.353 -0.806 30 20 DBED C#CCN1CCN([C@@H]2CCN(C(=O)CCn3cncn3)C2)CC1 1051980102 AIBVEZQWPLRYOI-OAHLLOKOSA-N 316.409 -0.480 30 20 DBED C#CCCCC(=O)N1C[C@@H](C)[C@H](CNC(=O)CNC(=O)NC)C1 1052482650 HGLLGHUTIKTVFX-CHWSQXEVSA-N 322.409 -0.070 30 20 DBED C=CCCN1CC2(C1)CN(C(=O)C[C@@H]1CC(=O)NC1=O)CCO2 1053553456 PBFWTHNRFRBMPL-LBPRGKRZSA-N 321.377 -0.472 30 20 DBED N#CCN1CC2(CC[C@@H](CNC(=O)[C@H]3CCCC(=O)N3)O2)C1 1053615031 ZDDAGVFNANPFJL-NWDGAFQWSA-N 306.366 -0.472 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)c3ccc(C(N)=O)[nH]3)CO2)C1 1053926941 OSTFUOGGXGBHGP-LLVKDONJSA-N 316.361 -0.290 30 20 DBED C=CCCC(=O)NCCN1CCC(NC(=O)CNC(C)=O)CC1 1055541253 ZZCLVLBZCGEJTI-UHFFFAOYSA-N 324.425 -0.215 30 20 DBED C=CCOCC(=O)N1C[C@@H]2CCCN(C(=O)CC(N)=O)[C@@H]2C1 1056634664 MJKBWRGFWXGGPS-NWDGAFQWSA-N 309.366 -0.486 30 20 DBED CN1C[C@@H](C(=O)N2CC[C@@H](Nc3ncccc3C#N)C2)NC1=O 1056744740 GLXLLCYNWXFJKQ-NEPJUHHUSA-N 314.349 -0.010 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](N(C)c2ncnc3c2nnn3C)C1 1056871421 KLXZXBZTMDQBEM-UWVGGRQHSA-N 314.353 -0.045 30 20 DBED CC(C)(C)C#CC(=O)NCCN(CCO)C(=O)C1=COCCO1 1056876980 BFOIQFKCIXLZFK-UHFFFAOYSA-N 324.377 -0.139 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)[C@H](C)COC 1057189645 ZBNCNYAWZFXLSX-GFCCVEGCSA-N 302.371 -0.591 30 20 DBED C=C(C)CCC(=O)NCCN(CCO)C(=O)COCCOC 1057220036 WVMNGUCAPFGPNY-UHFFFAOYSA-N 316.398 -0.057 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)C[C@H]1CCC(=O)N1 1057439328 IKAXVNPHFKSPGC-CYBMUJFWSA-N 323.393 -0.604 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)Cn1cncc1C 1057446699 HBEYJQYRJFHVGB-UHFFFAOYSA-N 320.393 -0.068 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)[C@@]12COC[C@@H]1C2 1057525174 LBKQEEPFXYBMSY-BBRMVZONSA-N 308.378 -0.381 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)[C@@H](C)OCC#C 1057583612 UYXUCYDQHKMQTR-CQSZACIVSA-N 308.378 -0.235 30 20 DBED C=C[C@@](C)(CC)C(=O)NCCN(CCO)C(=O)c1cnn[nH]1 1058056933 OXTOPKCEGLZXBY-AWEZNQCLSA-N 309.370 -0.042 30 20 DBED C=C[C@@H](C)[C@@H](C)C(=O)N(CCO)CCNC(=O)Cn1cnnn1 1058433114 JMYMQDHWZIVNJZ-VXGBXAGGSA-N 324.385 -0.932 30 20 DBED N#Cc1ccc(N2CC[C@@H](NC(=O)C3CS(=O)(=O)C3)C2)cn1 1058455988 BWPNPZSVZVVGLI-GFCCVEGCSA-N 320.374 -0.307 30 20 DBED N#Cc1ccc(N[C@H]2CCN(C(=O)[C@@H]3CCNC3=O)C2)nn1 1059019604 ABNFIECVEAFVGS-WDEREUQCSA-N 300.322 -0.503 30 20 DBED C=CCCO[C@H](C)C(=O)N1CC[C@@H](CCNC(=O)C(N)=O)C1 1059293793 ZECHWZFVZPZYDA-VXGBXAGGSA-N 311.382 -0.192 30 20 DBED Cc1cc(=N[C@H]2C[C@H](NC(=O)[C@H]3CCNC3=O)C2)c(C#N)c[nH]1 1059364702 FRKXWQWODIZEAX-AVGNSLFASA-N 313.361 -0.121 30 20 DBED C#CCO[C@@H](C)C(=O)NCC[C@H]1CCN(C(=O)CC(N)=O)C1 1059380409 CWQVUKKKRNPNGN-RYUDHWBXSA-N 309.366 -0.745 30 20 DBED CC(=O)N(C)CC(=O)NCC[C@@H]1CCN(C(=O)[C@H](C)C#N)C1 1060288474 ABLAFJWGHJMUSI-DGCLKSJQSA-N 308.382 -0.021 30 20 DBED C#CCCCCC(=O)N1CCOC[C@@H]1CNC(=O)CC(N)=O 1061448357 GPMRDHJLCYAPPN-LBPRGKRZSA-N 309.366 -0.601 30 20 DBED Cc1cc(C(=O)N2CCOC[C@H]2CNC(=O)[C@H](C)C#N)n(C)n1 1061845943 LZRSKZHOKNKCBK-ZYHUDNBSSA-N 319.365 -0.155 30 20 DBED C=CC(C)(C)C(=O)N1CCO[C@H](CNC(=O)Cn2ncnn2)C1 1065419541 BXZSPRTVGDYSTI-LLVKDONJSA-N 322.369 -0.771 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)Cc2cnn(C)c2)C1 1065557653 TXRNTFBDTIMXAB-AAEUAGOBSA-N 319.365 -0.534 30 20 DBED C=CCCCC(=O)NC[C@H]1CN(C(=O)Cn2cncn2)CCO1 1065636645 KEMFKRMUGZLNPC-ZDUSSCGKSA-N 321.381 -0.022 30 20 DBED N#Cc1nccnc1N1CC[C@H]2[C@@H]1CCCN2C(=O)C(N)=O 1066182900 JONWFPNBXOPINN-QWRGUYRKSA-N 300.322 -0.597 30 20 DBED N#Cc1ccc(NCC2CC(NC(=O)[C@@H]3CNC(=O)N3)C2)cn1 1067883832 SHWNKXRQAQXSNC-LDUAJXOISA-N 314.349 -0.059 30 20 DBED C[C@@H]1C[C@H](Nc2cnc(C#N)cn2)CN1C(=O)Cn1cnnn1 1069006689 VFJVIMDBALZRAS-ZJUUUORDSA-N 313.325 -0.564 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1COC2(C1)CN(C(=O)c1ccn(C)n1)C2 1069009379 ZAKLRBPOEZAHJN-WDEREUQCSA-N 317.349 -0.321 30 20 DBED C=CCOCC(=O)N[C@@H]1CCCN(C(=O)COCCOC)C1 1070559820 UNGMSJKTIZMAGU-CYBMUJFWSA-N 314.382 -0.041 30 20 DBED Cn1ccc(CC(=O)N2C[C@@H]3C[C@@H]4CN(CC#N)C[C@]3(C2)O4)n1 1070800296 XPTWDLMNQLCYSN-JGGQBBKZSA-N 315.377 -0.212 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CCCN(C(=O)c2cnn(C)n2)C1 1070984253 ATULONHXRJYZGT-IAQYHMDHSA-N 321.381 -0.137 30 20 DBED Cc1ncc(C(=O)N2CCC(=O)NCCN(CC#N)CC2)n1C 1070992498 LCFYUQWWMWMSQW-UHFFFAOYSA-N 318.381 -0.484 30 20 DBED CC#CCN1CCNC(=O)CCN(C(=O)c2ccnnc2)CC1 1071002866 HZVORZMYQWZUOB-UHFFFAOYSA-N 315.377 -0.236 30 20 DBED C=CCOCC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CCC(=O)N2)C1 1071044849 MDQYFPXDCZWXNZ-NEPJUHHUSA-N 309.366 -0.425 30 20 DBED C[C@H]1CN(C(=O)CSCC#N)C[C@@H]1NC(=O)C1(C(N)=O)CC1 1071662980 ZAYDMFIMMZMDMY-UWVGGRQHSA-N 324.406 -0.528 30 20 DBED C=C(C)CCC(=O)N[C@H]1CN(C(=O)Cn2ncnn2)C[C@H]1C 1072162497 ZLHDTFGDUOIPHU-NEPJUHHUSA-N 306.370 -0.008 30 20 DBED C#CCN1CCC2(C1)CN(C(=O)[C@@H]1CC(=O)N(CCOC)C1)C2 1072797306 TWLLMTLKRICSQA-CQSZACIVSA-N 319.405 -0.351 30 20 DBED C=CCOCC(=O)N1CC[C@H](NC(=O)c2cnn(C)n2)[C@@H](C)C1 1074057081 FVBCEOJMCZEBAV-RYUDHWBXSA-N 321.381 -0.016 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)Cc3nonc3C)C[C@@H]21 1074370510 BJQIATSWASOCPB-KBPBESRZSA-N 304.350 -0.145 30 20 DBED C#CCCCC(=O)N1CCC(O)(CNC(=O)c2nc[nH]n2)CC1 1074564674 YGEQQFZUGUJWSW-UHFFFAOYSA-N 319.365 -0.309 30 20 DBED C[C@H]1[C@@H](NCC(=O)N2CCOCC2)CCN1C(=O)[C@H](C)C#N 1074570129 QGKYZLVOXSBXML-AGIUHOORSA-N 308.382 -0.416 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)C(C)(F)F 1075338903 QOTWWOHKEZJEIE-VIFPVBQESA-N 303.309 -0.208 30 20 DBED C[C@@H](CCNC(=O)c1nccnc1N)NC(=O)CSCC#N 1075973556 VICZXUVZAGVHOA-VIFPVBQESA-N 322.394 -0.060 30 20 DBED C[C@@H](CCNC(=O)C#CC1CC1)NC(=O)[C@@H]1CCN(C)C1=O 1076432438 QEMKMFGGTMIYNV-AAEUAGOBSA-N 305.378 -0.111 30 20 DBED C[C@@H](CCNC(=O)[C@H]1CCNC1=O)NC(=O)c1c[nH]c(C#N)c1 1077731650 YZCBWANTMXNESH-JOYOIKCWSA-N 317.349 -0.353 30 20 DBED C=CCOCC(=O)N1CC(N(CC)C(=O)CNC(=O)CC)C1 1079500156 KRTQESBCQUQHLZ-UHFFFAOYSA-N 311.382 -0.226 30 20 DBED C#Cc1ccc(C(=O)N2C[C@H](O)[C@H](CNC(=O)COC)C2)nc1 1081180376 DLZWLRBPGGXPAG-OCCSQVGLSA-N 317.345 -0.742 30 20 DBED Cc1nn[nH]c1C(=O)N1C[C@@H](O)[C@@H](CNC(=O)C#CC2CC2)C1 1081474677 STLJMKWIBYBOIS-NWDGAFQWSA-N 317.349 -0.924 30 20 DBED C#CCN1C[C@@H](NC(=O)c2cnc(N(C)C)cn2)[C@H](OC)C1 1081664864 XUBOESXJSTWYBI-CHWSQXEVSA-N 303.366 -0.395 30 20 DBED C[C@H](C#N)C(=O)N1CCCC[C@H]1CNC(=O)Cn1ncnn1 1082267532 SDAUXPLQLFEVAI-MNOVXSKESA-N 305.342 -0.670 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2cn(-c3ccccc3)nn2)C1 1083598553 ACCPPQMLXSNQOD-HIFRSBDPSA-N 311.345 -0.325 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN(Cc3nc(O)n[nH]3)C[C@@H]2O)C1 1083763112 XROUYHQNHMRCLZ-ZJUUUORDSA-N 307.354 -0.472 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)Cc2c(C)nc(O)nc2O)C1 1083885464 MSJJSGCBFQZEIZ-NEPJUHHUSA-N 322.365 -0.524 30 20 DBED C=CCOc1cccnc1C(=O)N[C@@H]1CN(CC#N)C[C@@H]1O 1083936481 PTHKSUGTJMGXGO-NEPJUHHUSA-N 302.334 -0.055 30 20 DBED N#CCN1CC[C@@H]2CN(C(=O)c3ccc(S(N)(=O)=O)o3)[C@@H]2C1 1084483782 WLAXPDYFZOHACB-NXEZZACHSA-N 324.362 -0.403 30 20 DBED C=CCN1CC[C@@H]2CCN(C(=O)[C@@H]3CCS(=O)(=O)N3)C[C@@H]21 1085095725 HMZOZSZLCKNNJK-AGIUHOORSA-N 313.423 -0.213 30 20 DBED N#CCN[C@H]1C[C@@H](CNC(=O)c2coc(S(N)(=O)=O)c2)C1 1086124880 GTQZOIXHQTWFSE-WAAGHKOSSA-N 312.351 -0.451 30 20 DBED C[C@@H]1[C@@H](NC(=O)[C@H]2CCc3nnnn3CC2)CCN1CC#N 1088870988 QJIVDGWBUBECJB-WOPDTQHZSA-N 303.370 -0.272 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2nc(C)c(C)[nH]c2=O)[C@H](O)C1 1090358113 JJIWJZLCQUWHPY-QWHCGFSZSA-N 318.377 -0.425 30 20 DBED C#CCN1CC[C@H](NC(=O)c2ccc(N(C)C)nc2)[C@H](O)C1 1090385808 SJHARDRFGJJYPU-UONOGXRCSA-N 302.378 -0.054 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2ccc3nnnn3c2)[C@H](O)C1 1090430798 QGGNUUSQUSQSAQ-CHWSQXEVSA-N 314.349 -0.687 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(c2cnc(F)cn2)C[C@@H]1O 1091116357 MBOBIOPKXGIITC-MNOVXSKESA-N 310.329 -0.126 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@@H]1O 1091153262 YABFMILMLWWMOQ-YUTCNCBUSA-N 314.345 -0.343 30 20 DBED N#Cc1nccnc1N[C@H]1C[C@@H](CNC(=O)CNC(N)=O)C1 1091313295 FMYLOKIBMNXBNB-DTORHVGOSA-N 303.326 -0.677 30 20 DBED N#Cc1c(F)cccc1N1C[C@@H]2C(NC(=O)CNC(N)=O)[C@H]2C1 1093210359 MPIUJTZGJOMVPB-UWVGGRQHSA-N 317.324 -0.084 30 20 DBED N#Cc1nccnc1NCCNC(=O)CN1C(=O)CCC1=O 1093625475 GWTXWFZVVXJEIQ-UHFFFAOYSA-N 302.294 -0.975 30 20 DBED Cc1cc(=NCCNC(=O)c2ccc(C(N)=O)[nH]2)c(C#N)c[nH]1 1094127743 LCFAKVOHPYOKMU-UHFFFAOYSA-N 312.333 -0.048 30 20 DBED N#CCN1CC(n2cc(CNC(=O)c3cc(C#N)c[nH]3)nn2)C1 1094284011 SENHXGUXKAEBND-UHFFFAOYSA-N 310.321 -0.212 30 20 DBED N#Cc1ccc(NCCCNC(=O)CNC(=O)C2CC2)nn1 1094317974 JGZNCEIHJOHUDQ-UHFFFAOYSA-N 302.338 -0.207 30 20 DBED C#CCN1CC(n2cc(CNC(=O)[C@H]3C[C@]34CCOC4)nn2)C1 1094333377 DYZXUYDNTPPGGQ-ZBFHGGJFSA-N 315.377 -0.189 30 20 DBED Cc1cc(C(=O)N2CCN(CC#N)[C@H]3CS(=O)(=O)C[C@H]32)on1 1094606421 VHQXZPHMHNHDAY-WDEREUQCSA-N 324.362 -0.570 30 20 DBED C#CCN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cnc(O)n(C)c1=O)C2 1094977194 ZDMHNQRSAQIEIS-SRVKXCTJSA-N 316.361 -0.298 30 20 DBED CCN(CCCNC(=O)[C@@H]1CCNC1=O)c1cncc(C#N)n1 1095943001 WMKPSXGATKSGHM-LBPRGKRZSA-N 316.365 -0.183 30 20 DBED CNC(=O)CCCC(=O)N[C@@H]1CCN(c2ccnc(C#N)n2)C1 1096363548 YMWPTRZBULMACB-LLVKDONJSA-N 316.365 -0.041 30 20 DBED C=CCOCC(=O)N[C@H]1C[C@H](Nc2ccc3nnnn3n2)C1 1096993918 PBFHFPKCRUQZNV-MGCOHNPYSA-N 303.326 -0.219 30 20 DBED CCS(=O)(=O)CC(=O)N[C@H]1C[C@H](Nc2ccc(C#N)nn2)C1 1097033404 UVANKGBYZVQMCQ-XYPYZODXSA-N 323.378 -0.158 30 20 DBED C=C(C)CN(CCO)C1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 1098463925 WZDVKJIUQUCUNL-ZDUSSCGKSA-N 310.398 -0.471 30 20 DBED C#CCN(CCO)C1CCN(C(=O)C2(C(=O)NC)CC2)CC1 1098500293 SQJOWQAIWHJATD-UHFFFAOYSA-N 307.394 -0.569 30 20 DBED CC[C@@H](C)C(=O)NCC(=O)N1CCC(N(CC#N)CCO)CC1 1098564130 NWSBRRFOZOWYEK-CYBMUJFWSA-N 324.425 -0.042 30 20 DBED CNC(=O)CC(=O)N1CCC[C@H](N(C)c2nccnc2C#N)C1 1098684236 OMCDLMRWEZYUBA-NSHDSACASA-N 316.365 -0.088 30 20 DBED C[C@@H](CCNC(=O)[C@@H]1CCNC(=O)C1)N=c1cc[nH]c(C#N)n1 1098958477 JWRGFGDBGLYEIT-WDEREUQCSA-N 316.365 -0.397 30 20 DBED C#CCN1C[C@@H]2CCC[C@]2(NC(=O)CN2C(=O)CN(C)C2=O)C1 1099152716 UOTDNFPJGVQONN-LRDDRELGSA-N 318.377 -0.516 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)C[C@H]1C(F)(F)F 1099334649 XYJJLNQUGZHCKE-KXUCPTDWSA-N 303.284 -0.123 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)c2ccoc2)[C@@H](O)C1 1099669088 MOZKKYDXYJCRLZ-STQMWFEESA-N 307.350 -0.253 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)C2CC=CC2)[C@H](O)C1 1099743353 IDEZMVPOJBXUIQ-ZIAGYGMSSA-N 305.378 -0.747 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CCN(CCN2CCCC2=O)C[C@H]1O 1099827326 VRECKVVZYUSBNS-HUUCEWRRSA-N 319.405 -0.426 30 20 DBED C#CCN1CC[C@@H](NC(=O)CNC(=O)c2ccoc2)[C@@H](O)C1 1099847169 IHRCWENVFHYPHK-OLZOCXBDSA-N 305.334 -0.806 30 20 DBED C=CCCN1CC[C@@H](NC(=O)CCNC(=O)COC)[C@H](O)C1 1099863924 ORRZFFUQOWYXJY-CHWSQXEVSA-N 313.398 -0.733 30 20 DBED N#CCNC(=O)CN1CC[C@H](NC(=O)CCC(F)F)[C@@H](O)C1 1099919179 XUNMXJXQLXNAPG-UWVGGRQHSA-N 318.324 -0.777 30 20 DBED C=C(C)CCN1CC[C@H](NC(=O)CS(=O)(=O)NC)[C@@H](O)C1 1100117037 AUVMWSLKYRMWSH-RYUDHWBXSA-N 319.427 -0.947 30 20 DBED C#CCNC1CC(CNC(=O)CNC(=O)c2cccnc2)C1 1100694844 AVSGDYHOIDYHOH-UHFFFAOYSA-N 300.362 -0.071 30 20 DBED CCN(CCNC(=O)[C@H](COC)OC)c1cncc(C#N)n1 1100712405 SGBKWDINEWSSNT-LBPRGKRZSA-N 307.354 -0.048 30 20 DBED Cc1cc(C#N)nc(NCCN(C)C(=O)C[C@@H](C)NC(N)=O)n1 1101785798 KRFMUCKEAAFAAJ-SNVBAGLBSA-N 319.369 -0.026 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(C#N)cn1 1102547806 PLOUMXKKBYFWCN-KBPBESRZSA-N 323.356 -0.118 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@@H]1CCN(c2ncnc3c2nnn3C)C1 1102701831 JFKISVGTOJSYRP-NXEZZACHSA-N 314.353 -0.045 30 20 DBED CCN(C(=O)CNC(C)=O)[C@H]1CCN(c2cncc(C#N)n2)C1 1102771940 XWHJLGLQGHGFTB-ZDUSSCGKSA-N 316.365 -0.088 30 20 DBED CC[C@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)Nc1ccc(C#N)nn1 1103261805 UBUFTADWRKIFHR-KOLCDFICSA-N 317.353 -0.321 30 20 DBED Cc1cc(C#N)nc(NC[C@H](C)N(C)C(=O)c2nnn(C)n2)n1 1104763405 GKSXPELSEXJQLI-VIFPVBQESA-N 315.341 -0.247 30 20 DBED CN1C[C@@H](C(=O)N(C)CCN(C)c2cnc(C#N)cn2)NC1=O 1105535859 ZSSOWSGFXIVQBC-NSHDSACASA-N 317.353 -0.734 30 20 DBED Cc1c(C(=O)NC[C@@H](O)CN=c2cc[nH]cc2C#N)nnn1C 1105762403 OZELPWGZGMONSK-NSHDSACASA-N 315.337 -0.985 30 20 DBED CCN(CCN=c1cc[nH]cc1C#N)C(=O)CCNC(=O)NC 1106749055 JHKHTNQWEMNMHC-UHFFFAOYSA-N 318.381 -0.045 30 20 DBED C[C@H](C(=O)NC/C=C\CN=c1cc[nH]cc1C#N)S(C)(=O)=O 1107577182 VZERGHGHAYFGCT-DLRQAJBASA-N 322.390 -0.107 30 20 DBED C=C(C)CN1CCO[C@@](C)(CNC(=O)Cn2ncn(C)c2=O)C1 1108038153 OCQOMEHRTXLRMF-HNNXBMFYSA-N 323.397 -0.635 30 20 DBED CCN1CCO[C@@H](C(=O)N[C@@H](C)CN=c2cc[nH]c(C#N)n2)C1 1108396571 SGABDEDLPDTQCQ-NWDGAFQWSA-N 318.381 -0.593 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)CS(=O)(=O)CC)C1 1108419884 SWCIVYPKIZTRPF-ZDUSSCGKSA-N 302.396 -0.739 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)CCOC(C)C)CC2=O)C1 1108510700 CHGLLAOFOWFKJM-CYBMUJFWSA-N 307.394 -0.164 30 20 DBED C[C@@H](CNc1ccc(C#N)nn1)NC(=O)[C@@]1(C)CCNC1=O 1108694085 BRCWQHSKJXVQBH-XPTSAGLGSA-N 302.338 -0.209 30 20 DBED C[C@@H](CN(C)c1nccnc1C#N)NC(=O)[C@@H]1COC(=O)N1 1108926688 IOMDDSBWWFPJJE-WPRPVWTQSA-N 304.310 -0.602 30 20 DBED CS(=O)(=O)CC(=O)N[C@@H](CN=c1cc[nH]c(C#N)n1)C1CC1 1109768294 FHKFCROJNFDAKV-JTQLQIEISA-N 323.378 -0.879 30 20 DBED CC(C)(C(N)=O)C(=O)NCC1(Nc2ccnc(C#N)n2)CC1 1110256158 LXNYKZAKEDNRHX-UHFFFAOYSA-N 302.338 -0.080 30 20 DBED CC(C)C#CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1nc(=O)n(C)[nH]1 1110534015 OYMMCPPEOHAPKT-UPJWGTAASA-N 317.393 -0.011 30 20 DBED N#Cc1cncc(NCCN(CCO)C(=O)Cc2ncc[nH]2)n1 1111497329 GGFYHOPTFCFJLO-UHFFFAOYSA-N 315.337 -0.453 30 20 DBED CC1(Nc2cnc(C#N)cn2)CCN(C(=O)CNC(N)=O)CC1 1112344396 GKEFXASNRGQCIU-UHFFFAOYSA-N 317.353 -0.190 30 20 DBED Cc1cc(C(=O)N2CCN(CC(=O)NCC#N)CC2)n(C)n1 1112650505 AUHNDWADMFNNSK-UHFFFAOYSA-N 304.354 -0.874 30 20 DBED N#Cc1cncc(NCC2CC(NC(=O)CCNC(N)=O)C2)n1 1112840234 OAHCNMBMMIIMLJ-UHFFFAOYSA-N 317.353 -0.287 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCN(Cc2cnn(CC)n2)CC1 1112844780 FYGQTDRWPKPRDO-ZDUSSCGKSA-N 305.382 -0.020 30 20 DBED C[C@@H](CC(=O)N1CCN(CC(=O)NCC#N)CC1)[C@H]1CCCO1 1113578719 PNRUNUCPPOCKGL-UONOGXRCSA-N 322.409 -0.024 30 20 DBED CCNC(=O)CCC(=O)NC1[C@@H]2CN(CC#CCOC)C[C@@H]12 1114044986 QNBKNLFAGUWRHM-CHWSQXEVSA-N 307.394 -0.401 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)[C@@H](C)CSC)[C@@H]2C1 1114054061 KRQYBNVNHNRNGA-QJPTWQEYSA-N 309.435 -0.219 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)[C@H]3CN(C)CCO3)[C@@H]2C1 1114090329 BPUHDCAEDCTYFA-MGPQQGTHSA-N 307.394 -0.987 30 20 DBED COCC#CCN1C[C@@H]2C(NC(=O)CN3CCOCC3)[C@H]2C1 1114151453 IYPJOIFZCXREII-KBPBESRZSA-N 307.394 -0.985 30 20 DBED CC(C)C#CC(=O)N[C@H]1[C@@H]2CN(CCN3CCNC3=O)C[C@@H]21 1114247489 LOLNGTZSTDKNLK-NHAGDIPZSA-N 304.394 -0.283 30 20 DBED C#CCOCCC(=O)NC1[C@@H]2CN([C@H](C)C(=O)NCCC)C[C@@H]12 1114262462 DPXCLLFMWUDXNI-MGPQQGTHSA-N 321.421 -0.013 30 20 DBED C#CCOCCC(=O)N[C@H]1[C@@H]2CN(CC(=O)NC(C)(C)C)C[C@@H]21 1114265722 HTZLHOPNDFGDEM-VIKVFOODSA-N 321.421 -0.013 30 20 DBED CC(=O)NCC(=O)N1C[C@H](CN=c2cc[nH]c(C#N)n2)C[C@@H]1C 1114659213 FKHGHHZAFABDIW-JQWIXIFHSA-N 316.365 -0.445 30 20 DBED CC(=O)NCC(=O)NCCOCCN(C)c1ccc(C#N)cn1 1115160891 LENVTRKHCWHMSS-UHFFFAOYSA-N 319.365 -0.342 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)NC1[C@@H]2CN(CCCO)C[C@@H]12 1115302964 WREJUYUNBNKYIQ-VXGBXAGGSA-N 324.425 -0.321 30 20 DBED C[C@H]1COCCN1CCNC(=O)C(=O)Nc1cnn(CC#N)c1 1116331548 GLGPIMSFNNKDNZ-NSHDSACASA-N 320.353 -0.818 30 20 DBED N#CCCCNC(=O)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O 1117366563 WIVKRCRQARURND-MRVPVSSYSA-N 320.271 -0.314 30 20 DBED CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCO[C@@H](C#N)C1 1117616647 ORTUXQYGRFLOCV-QWHCGFSZSA-N 322.409 -0.026 30 20 DBED C#CCCCn1nnnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1120157151 XXPPGQCIRCRYKL-UHFFFAOYSA-N 317.353 -0.393 30 20 DBED CNC(=O)C1(C(=O)NC[C@@H](CO)Nc2ccc(C#N)cn2)CC1 1121757399 TYUVGGNHPVCPGV-NSHDSACASA-N 317.349 -0.632 30 20 DBED COCCO[C@H](C)C(=O)NC[C@H](CO)Nc1ccc(C#N)nn1 1122014890 ZZVCAAPEMDDAOE-ZYHUDNBSSA-N 323.353 -0.711 30 20 DBED N#Cc1cncc(N[C@H](CO)CNC(=O)[C@@H]2[C@H]3COC[C@H]32)n1 1122371699 FXCOIGFRVBQSPM-MEWQQHAOSA-N 303.322 -0.870 30 20 DBED N#Cc1nc(=N[C@H](CO)CNC(=O)[C@@H]2Cc3ccccc32)cc[nH]1 1122446093 ZPNNNTRZQPEHOS-GXTWGEPZSA-N 323.356 -0.001 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H](CO)Nc1ncccn1 1122770026 OTGXJTUCQMCXFJ-OLZOCXBDSA-N 303.366 -0.537 30 20 DBED CN(C[C@@H](O)CNc1cccc(F)c1C#N)C(=O)CC(N)=O 1124199869 GRAMFXNRUGULCT-VIFPVBQESA-N 308.313 -0.196 30 20 DBED C=CCCO[C@@H](C)C(=O)NCCNCc1nnc2n1CCOC2 1124484105 QLTSMEQJHBYXHU-LBPRGKRZSA-N 323.397 -0.005 30 20 DBED CCN(C)CCC(=O)N(C)C[C@@H](O)CNc1cnc(C#N)cn1 1124493317 QWJSWDQIZDSVLN-ZDUSSCGKSA-N 320.397 -0.079 30 20 DBED C=CCCO[C@H](C)C(=O)NCCNCCNS(C)(=O)=O 1124496150 WWXQGWNAAAQGQE-LLVKDONJSA-N 307.416 -0.777 30 20 DBED C[C@@H](C#N)C(=O)N(C)C[C@@H](O)CN(C)c1cnc(C#N)cn1 1124987701 CEJRBXPFWVIZJM-JQWIXIFHSA-N 302.338 -0.237 30 20 DBED N#Cc1ccc(C(=O)NCCNCc2ncnn2CCF)[nH]1 1125776489 PLIVXQWVJVEKOR-UHFFFAOYSA-N 305.317 -0.033 30 20 DBED CNC(=O)Cc1noc(CNCCNC(=O)C#CC(C)C)n1 1126823122 PXLRTIRLVDTFAP-UHFFFAOYSA-N 307.354 -0.777 30 20 DBED C#CCO[C@@H](C)C(=O)NCCNCc1ncnn1CC(F)F 1127039902 UCLMODGNTPVLII-JTQLQIEISA-N 315.324 -0.213 30 20 DBED N#Cc1nccc(N2CC=C(CNC(=O)Cn3nccn3)CC2)n1 1127699375 HCTKWNWWKYUVFQ-UHFFFAOYSA-N 324.348 -0.107 30 20 DBED COCCCN[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1n1ccnn1 1129678135 WTCHITLEWWDSMJ-XQQFMLRXSA-N 306.370 -0.184 30 20 DBED N#CCN1CC[C@H](c2n[nH]cc2CNC(=O)CNC(N)=O)C1 1130342815 QEXYKUSONUMXMD-VIFPVBQESA-N 305.342 -0.993 30 20 DBED C#CCN1CC[C@H](c2n[nH]cc2CNC(=O)C2(C(N)=O)CC2)C1 1130417175 FQFSJCOAJWUKEA-NSHDSACASA-N 315.377 -0.286 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)C1(F)CCCC1 1130617751 IMZNAVHSUFUPJM-UHFFFAOYSA-N 314.361 -0.014 30 20 DBED C=CCN1CCOC[C@H]1c1n[nH]c(CNC(=O)CNC(C)=O)n1 1130822053 FTXRDHWBRSTQII-NSHDSACASA-N 322.369 -0.884 30 20 DBED CC#CCN1C[C@H]2C[C@H]3CN(C(=O)CNC(=O)CC)C[C@@]3(C1)O2 1131210886 YDLPEYBNLTWBNT-JJRVBVJISA-N 319.405 -0.162 30 20 DBED C#CCCCC(=O)N1CCC(=O)NCCN(C[C@H](C)O)CC1 1131356979 BUXLHEXYYOXDLE-AWEZNQCLSA-N 309.410 -0.179 30 20 DBED CC(C)C#CC(=O)N1C[C@H](C)O[C@@]2(CCN(CC(N)=O)C2)C1 1131662009 RYDMINQKONXRKE-XJKSGUPXSA-N 307.394 -0.177 30 20 DBED C#CCCN1C[C@H](NC(=O)CNS(=O)(=O)CC)CC[C@@H]1C 1132086571 HQEZBQURTVPLJW-QWHCGFSZSA-N 315.439 -0.082 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)c2cn(C)nc2OC)C1=O 1132277963 LYIVQMZEKAPTGL-GFCCVEGCSA-N 321.381 -0.465 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)CCCC(=O)NC 1134131279 TXOYIESRXYHFIS-OLZOCXBDSA-N 324.425 -0.475 30 20 DBED Cc1ncn(C)c1C(=O)N[C@@H](C)C[C@H](C)NCC(=O)NCC#N 1134652028 DTQHEMILBOATTC-QWRGUYRKSA-N 320.397 -0.145 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)Cc1ccco1 1135597456 LOLWEPUEVRVXQK-NSHDSACASA-N 322.365 -0.072 30 20 DBED CO[C@H](CC(=O)NCCNCC(=O)NCC#N)C(F)(F)F 1146933748 QZCNVWXODCKGTJ-MRVPVSSYSA-N 310.276 -0.701 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)c1cn(CC)cn1 1148033189 HHZJBTWURPZLIK-UHFFFAOYSA-N 322.369 -0.766 30 20 DBED COCC#CCN1CCCO[C@@H](CNC(=O)c2nc[nH]n2)C1 1150469446 FYPVTVJVZBNGAL-LBPRGKRZSA-N 307.354 -0.725 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)[C@H](CC(C)C)C(N)=O 1153782588 QMJMCULGQVUZBM-NWDGAFQWSA-N 312.414 -0.470 30 20 DBED COCC1(CNC(=O)[C@@H](C)C#N)CCN([C@H](C)C(N)=O)CC1 1162165826 ONMMLXSJVJNDTN-NWDGAFQWSA-N 310.398 -0.135 30 20 DBED COCC#CCNCCCNC(=O)[C@@H](OC)c1cnn(C)c1 1163349762 BZHKQBXXTUZBKJ-AWEZNQCLSA-N 308.382 -0.147 30 20 DBED C#CCOCCC(=O)NCCC1(CN[C@@H]2CCNC2=O)CC1 1164504935 NJRDPKIAPVRVEB-CYBMUJFWSA-N 307.394 -0.209 30 20 DBED C#CCNC(=O)CNCCCNC(=O)CCc1cn(C)nc1C 1167579510 VPEAREBYNVPZAT-UHFFFAOYSA-N 319.409 -0.494 30 20 DBED C#CCCNCCCNC(=O)CCNC(=O)c1cnccn1 1176442910 ARQRAGSVMLEFSJ-UHFFFAOYSA-N 303.366 -0.284 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)Cn2cccn2)[C@H]1C 1178111712 XFRWSDAUKJPASS-STQMWFEESA-N 305.382 -0.236 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@@H](NCc2nnnn2C(C)C)C1 1182504721 ILJDRUWDAQICTJ-QWHCGFSZSA-N 320.397 -0.017 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)CN(C)C(=O)C2CC2)C1 1182999971 YVNZKTXDEDDTQZ-CYBMUJFWSA-N 322.409 -0.653 30 20 DBED C=CCNC(=O)CNC[C@@H]1CCN(C(=O)CNC(C)=O)C[C@H]1C 1183735762 PARCSEXSMXGTAL-OCCSQVGLSA-N 324.425 -0.501 30 20 DBED CCOCC(=O)N1CC[C@@H](CNCC(=O)NCC#N)[C@H](C)C1 1183809408 NSVWZQSLYLVRLM-OLZOCXBDSA-N 310.398 -0.263 30 20 DBED C=CCOCCNC[C@H]1CCN(C(=O)CNC(N)=O)C[C@H]1C 1183822919 OYFIZMYICSBWDD-CHWSQXEVSA-N 312.414 -0.069 30 20 DBED CC(C)C#CC(=O)N1CC[C@H]2CN(Cc3nnn(C)n3)C[C@H]21 1187811279 BQMTWCNPSYCCNT-QWHCGFSZSA-N 302.382 -0.098 30 20 DBED C#CCOCCC(=O)N1CC[C@H]2CN(Cc3nncn3C)C[C@H]21 1187866051 XKCAAKLENOPWNV-UONOGXRCSA-N 317.393 -0.112 30 20 DBED Cc1cc(C(=O)N2CC[C@@H](N(C)CC(=O)NCC#N)C2)no1 1188777025 SCYZLVRXNLQKEG-LLVKDONJSA-N 305.338 -0.231 30 20 DBED C[C@@H](C(=O)N1CC[C@H](N(C)CC(=O)NCC#N)C1)n1cccn1 1188974829 XFBRMVDZNDIIBY-STQMWFEESA-N 318.381 -0.383 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(Cc2snnc2C)C[C@H]1O 1191777761 OODZPQXHOAUXSS-GHMZBOCLSA-N 312.395 -0.290 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@H]1O 1192437562 FKQJVZTYSZDAPM-ZIAGYGMSSA-N 316.361 -0.644 30 20 DBED C=CCCOCC(=O)N1CC[C@@H](N(C)Cc2nc(=O)n(C)[nH]2)C1 1194381663 LCUJZSLPEUHTFI-GFCCVEGCSA-N 323.397 -0.266 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCCN(CC(=O)NCC=C)CC1 1195792806 ZXZYPVMTDFTGGZ-AWEZNQCLSA-N 307.394 -0.139 30 20 DBED C=CCCN1CCCN(C(=O)[C@H](CCC(N)=O)NC(C)=O)CC1 1197460765 IWBIUQWPQGBHAS-AWEZNQCLSA-N 324.425 -0.133 30 20 DBED C#CCCCC(=O)N1CCCO[C@H](CNCC(=O)NC(N)=O)C1 1200403900 CTBCNSWWRJMMFC-GFCCVEGCSA-N 324.381 -0.808 30 20 DBED C#CCNC(=O)CNC[C@H]1CN(C(=O)C2(C)CC2)CCCO1 1200554880 MOOYXBXHMQTSQR-ZDUSSCGKSA-N 307.394 -0.257 30 20 DBED CC(=O)N1CCC[C@H]1C(=O)N1CCCO[C@@H](CNCC#N)C1 1201891307 LGQNFUBFVWJEAF-KBPBESRZSA-N 308.382 -0.272 30 20 DBED C#CCNC[C@H]1CN(C(=O)c2ccc(C(N)=O)cn2)CCCO1 1202199900 FEAAMYAUFHPIDE-ZDUSSCGKSA-N 316.361 -0.366 30 20 DBED N#CCNC(=O)CNC1CCN(C(=O)Cc2cnc[nH]2)CC1 1202669116 YCIINOOKGGEXSZ-UHFFFAOYSA-N 304.354 -0.827 30 20 DBED CC(C)NC(=O)CN(C)CC(=O)N1CCC(CNCC#N)CC1 1205616736 OIHQVWPLPPRMDY-UHFFFAOYSA-N 323.441 -0.205 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)[C@@H]2CCC(=O)N2C)[C@H](C)C1 1208324039 AXCISWCRLBMTOG-UPJWGTAASA-N 322.409 -0.654 30 20 DBED CCN(CC)S(=O)(=O)CC(=O)N1CCC[C@@H](NCC#N)C1 1209906845 CLPCMEPIGVRHKY-GFCCVEGCSA-N 316.427 -0.238 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCCN(C(=O)c2ccn(C)n2)C1 1211082923 ZWYALTDWWWQYKN-OLZOCXBDSA-N 317.393 -0.248 30 20 DBED CCC[C@@H](C)C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1OC 1212052691 AZEKQJHYQXSGKF-JHJVBQTASA-N 310.398 -0.122 30 20 DBED C#CCOCCC(=O)N1CCO[C@@H]2CN([C@@H](C)C(=O)NC)C[C@@H]21 1217887900 UTYJWQNLMHUQHT-MELADBBJSA-N 323.393 -0.928 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CN(Cc2ccc(C#N)s2)C[C@@H]1O 1219104985 MKEDUYQKVSOPPN-OLZOCXBDSA-N 322.390 -0.583 30 20 DBED N#CCNC(=O)CN[C@H]1CCCN(C(=O)Cn2ccnc2)C1 1222097726 FGGQITBPHGBCKO-LBPRGKRZSA-N 304.354 -0.897 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)[C@@]2(F)CCOC2)CC1 1228827200 SHLBLKUDQBUIOS-OAHLLOKOSA-N 311.357 -0.555 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)C[C@H]2CCC(=O)N2)CC1 1229592626 GRHMKEQMTTUWNK-CYBMUJFWSA-N 322.409 -0.462 30 20 DBED C#CCN1CCS(=O)(=O)[C@@H](CCNC(=O)[C@@H](C)COC)C1 1230435935 KHCIBLOSEORAIZ-STQMWFEESA-N 316.423 -0.493 30 20 DBED C#CCC[C@@H](O)CNC(=O)NC[C@@H]1CCCS(=O)(=O)C1 1323886385 UUIQKHABURVFDS-NWDGAFQWSA-N 302.396 -0.115 30 20 DBED C=CC[C@H](CO)CNC(=O)C1(S(C)(=O)=O)CCOCC1 1324994173 DWNAGNSAXFTXDI-NSHDSACASA-N 305.396 -0.119 30 20 DBED C#C[C@@H](NC(=O)C(=O)N1CCC(OC(C)=O)CC1)[C@H]1CCCO1 1325474085 IZOHQXCPXDSVML-ZIAGYGMSSA-N 322.361 -0.163 30 20 DBED CS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C#N)cn2)C1 1326287459 UGDWQUZNDZWXSZ-SNVBAGLBSA-N 322.346 -0.463 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)C1 1326533946 UHQOYUOROAYBPB-CZUORRHYSA-N 320.393 -0.440 30 20 DBED N#CCCn1ccc(NC(=O)C(=O)N(CCO)CC2CC2)n1 1326824843 HXTKHZFCIPUKGQ-UHFFFAOYSA-N 305.338 -0.034 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CC[C@H](n2cncn2)C1)[C@@H]1CCCO1 1327257312 BOVIVYKAMYOAQP-AVGNSLFASA-N 317.349 -0.652 30 20 DBED C=CCOCCNC(=O)C(=O)N1CCN([C@@H]2CCOC2)CC1 1327776773 NUOVUXSNUCMUEO-CYBMUJFWSA-N 311.382 -0.762 30 20 DBED C=CCC1(O)CCN(C(=O)C(=O)N2C[C@@H]3C[C@@]3(CO)C2)CC1 1336363708 KUQFKLBWLBQNTD-WFASDCNBSA-N 308.378 -0.243 30 20 DBED N#C[C@H](C(=O)N1CCS(=O)(=O)CC1)C(=O)[C@]1(F)CCOC1 1343388263 ZQGAWKVVBZPCMA-CABZTGNLSA-N 318.326 -0.919 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CCC[C@@H](S(C)(=O)=O)C1 1347039098 MAGUATMMNGTWBW-GHMZBOCLSA-N 318.395 -0.661 30 20 DBED C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@](O)(CC#N)C2)CCN1C 1349214694 JENXECUXBYHTEL-LALPHHSUSA-N 308.382 -0.538 30 20 DBED C=CCn1c([C@@H](O)COC)nnc1N1CCN2C(=O)OC[C@H]2C1 1356193025 KELSLIVXGSRHLC-MNOVXSKESA-N 323.353 -0.215 30 20 DBED COCC[C@@](C)(O)CNC(=O)CCn1cc(C#N)c(O)nc1=O 1362340973 UXCLOTAVFANVHH-CQSZACIVSA-N 324.337 -0.886 30 20 DBED CN1CCCC[C@@H]1C(=O)NCCn1cc(C#N)c(O)nc1=O 1363287973 PLVREGKKMJQULY-LLVKDONJSA-N 305.338 -0.579 30 20 DBED Cn1c(=O)[nH]c(N2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)c(C#N)c1=O 1364173603 WCYZHLXUDCPUKP-QXFUBDJGSA-N 303.322 -0.965 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N[C@@H]1CCc2nnnn2CC1 1365715172 KFSFYUIEJCQNQR-VHSXEESVSA-N 313.387 -0.696 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1cccc2nccn12 1376657474 UKOFKEAIULDJKR-QWRGUYRKSA-N 315.333 -0.299 30 20 DBED C[C@@H](C#N)C(=O)NC1CCN(C(=O)CCN2CCOCC2)CC1 1396832461 JRWHNSGJPNRHEW-ZDUSSCGKSA-N 322.409 -0.024 30 20 DBED Cc1csc(=O)n1CCN1CC(O)(CNC(=O)[C@H](C)C#N)C1 1402316637 IBIDUNGUJJEXQF-SNVBAGLBSA-N 324.406 -0.459 30 20 DBED N#C[C@@H]1COCCN1C(=O)CCc1nc(-c2nc[nH]n2)no1 1411794760 KPVYIQZILROHSD-MRVPVSSYSA-N 303.282 -0.462 30 20 DBED CN(C[C@@H](O)Cc1ccccc1)c1[nH]c(=O)n(C)c(=O)c1C#N 1413886770 BKMSYKSFCDRHKV-LBPRGKRZSA-N 314.345 -0.015 30 20 DBED COC(=O)[C@@H]1[C@H](O)CCCN1S(=O)(=O)CC(C)(C)C#N 1414248621 QPGHJNDUJNIPPM-ZJUUUORDSA-N 304.368 -0.136 30 20 DBED CNC(=O)NC(=O)CN(C)CCN(C)C(=O)c1cc(C#N)c[nH]1 1422151870 KNIDAYFVXYNUIV-UHFFFAOYSA-N 320.353 -0.654 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)COc2ccccc2)C1 1428936375 JVMOYHRLXRNMCM-YUTCNCBUSA-N 317.345 -0.087 30 20 DBED C[C@H](CNC(=O)c1cc(C#N)c[nH]1)CNC(=O)[C@H]1COCCO1 1432937551 DKRNDMCYAFYZQW-ZWNOBZJWSA-N 320.349 -0.216 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]1CNC(=O)CNC(=O)N1CCCC1 1433719476 PWPRMZXNWDMWQF-NWDGAFQWSA-N 321.381 -0.331 30 20 DBED C[C@H](NC(=O)CCn1cc(C#N)c(O)nc1=O)c1ncn(C)n1 1433917308 ULINJLZROTYVKW-QMMMGPOBSA-N 317.309 -0.783 30 20 DBED COC(=O)C1(NS(=O)(=O)N(C)C[C@H](C)C#N)CCOCC1 1434569463 SPQGFQFJLNBQJM-SNVBAGLBSA-N 319.383 -0.366 30 20 DBED CC(C)S(=O)(=O)CC(=O)NC[C@@H](C)N(C)C(=O)[C@H](C)C#N 1449918991 CLUFTOVOEVRHAT-GHMZBOCLSA-N 317.411 -0.068 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@](C)(NC(=O)CCn2cnnn2)C1 1453878331 XFBGCGWMZHFKCK-GWCFXTLKSA-N 305.342 -0.670 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)CCCS(C)(=O)=O)CC1 1459010316 RKPSLTRZUUWBLE-SNVBAGLBSA-N 315.395 -0.264 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)c2ccc(=O)n(C)c2)CC1 1459016126 FNZVMJAZNYIFLB-SNVBAGLBSA-N 302.334 -0.076 30 20 DBED C=C(Cl)CN1CCC[C@@](CO)(NC(=O)CNC(=O)O)C1 1573339905 YXXLYWXNBFMCOE-GFCCVEGCSA-N 305.762 -0.050 30 20 DBED C=CCN1CC[C@@H](N2CC[C@@H](CNC(=O)CNC(=O)O)C2)C1=O 1573368796 RTVXBPYTGPSZPP-NWDGAFQWSA-N 324.381 -0.521 30 20 DBED C#CCN(CC(=O)O)C(=O)C(=O)Nc1c2c(nn1C)CCC2 1588396211 WRMQJUWNESPSAG-UHFFFAOYSA-N 304.306 -0.606 30 20 DBED C=CCCC(=O)N1CC(CCO)(NC(=O)[C@H]2C[C@H]2C(=O)O)C1 1588773667 DGQDDSNYXWDNBB-WDEREUQCSA-N 310.350 -0.247 30 20 DBED CN(CCN=c1cc[nH]c(-c2nn[nH]n2)n1)C(=O)C#CC1CC1 1591105895 ATDNZVDSMUYPRT-UHFFFAOYSA-N 312.337 -0.638 30 20 DBED N#Cc1nc(N2C[C@@H]3C[C@H]2C[S@]3=O)cnc1-c1nn[nH]n1 1592706391 YLGSRQLRGOQRBC-NTWVJFNPSA-N 302.323 -0.762 30 20 DBED CCOC(=O)CON=C(C(=O)NC1(C(=O)O)CC1)c1cc[nH]n1 1596628382 FVKQXTLCGVDVKD-UHFFFAOYSA-N 324.293 -0.573 30 20 DBED C#CCNC(=O)CN1CCN(Cc2oncc2C(=O)O)CC1 1602725562 YKBDJTGQVVJLBT-UHFFFAOYSA-N 306.322 -0.760 30 20 DBED N#Cc1cn(CC(=O)O)c(=O)n(C[C@@H]2C[C@H]3CCC[C@H]3O2)c1=O 1605623091 UQDJCPPIEFPKSV-ADEWGFFLSA-N 319.317 -0.076 30 20 DBED N#CC1(C[C@@H](O)CNCCn2cc(C(=O)O)nn2)CCOCC1 1608174727 BMVQKJVUWQYAAM-LLVKDONJSA-N 323.353 -0.363 30 20 DBED C=CCOC[C@@H](NC(=O)[C@H]1CCCCS1(=O)=O)C(=O)O 1609432181 IKVDMBICJZIPBU-NXEZZACHSA-N 305.352 -0.274 30 20 DBED N#Cc1cccn(CN2CC(n3cc(C(=O)O)nn3)C2)c1=O 1610633343 HHWIZWNPGPDKJB-UHFFFAOYSA-N 300.278 -0.476 30 20 DBED Cc1nc2n(n1)C[C@@H](NC(=O)NCCn1cnc(C#N)n1)CC2 1647190567 TZNVRPVIAMTBMV-JTQLQIEISA-N 315.341 -0.636 30 20 DBED N#CCC1(O)CN(C(=O)c2sccc2S(N)(=O)=O)C1 1647289771 BBLPHPAKMVHFFJ-UHFFFAOYSA-N 301.349 -0.504 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@@H](NC(=O)c2nccnc2N)C1 1713820223 RSGJIJHJZQUAEM-WDEREUQCSA-N 316.365 -0.999 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC[C@H](NC(=O)CNC(=O)OC)C1 1714923052 LYPKMQYMOGDHRS-NEPJUHHUSA-N 324.381 -0.939 30 20 DBED COCC#CCN[C@H]1C[C@@H](NC(=O)CCN2C(=O)CCC2=O)C1 1752743005 DAGAFDFSMRWAKQ-BETUJISGSA-N 321.377 -0.588 30 20 DBED C#CCN1CCC[C@H](CNC(=O)CCCN2C(=O)CNC2=O)C1 1752789780 KZIIJERJAODSFF-CYBMUJFWSA-N 320.393 -0.220 30 20 DBED CCCN(C(=O)COCC)[C@@H]1CCN(CC(=O)NCC#N)C1 1753313596 RZDBLHULUQXQOW-CYBMUJFWSA-N 310.398 -0.024 30 20 DBED COCCC(=O)N1CCC(CN(C)CC(=O)NCC#N)CC1 1753361513 HWRUUBQJKBFFPG-UHFFFAOYSA-N 310.398 -0.167 30 20 DBED C=CCN(CC=C)C(=O)CN1CC(NC(=O)[C@H](C)NC(N)=O)C1 1753375227 CQQNMJLUXZNIND-NSHDSACASA-N 323.397 -0.956 30 20 DBED C#CCNC(=O)CNC[C@H](C)CNC(=O)c1cnc(C)n1C 1753636787 ARNNUNXCKBUTEY-NSHDSACASA-N 305.382 -0.567 30 20 DBED C#CCNC(=O)CN1CC[C@H]2CN(C(=O)CCOC)CC[C@H]21 1753887986 ZJORSKUGXOTQFF-UONOGXRCSA-N 307.394 -0.305 30 20 DBED COCC#CCNC/C=C\CNC(=O)CN1CCCCC1=O 1754143146 GOHRZAOVHIOKAE-ARJAWSKDSA-N 307.394 -0.089 30 20 DBED C=CCNC(=O)CNC/C=C\CNC(=O)[C@H]1CCNC(=O)CC1 1754153410 GGXQZRYQYIVJMS-DHCBQETCSA-N 322.409 -0.533 30 20 DBED C#CCN1CCC(C(=O)N[C@H](C)CN(C)[C@@H]2CCNC2=O)CC1 1754337553 WAZPKQSNAMUJJX-UKRRQHHQSA-N 320.437 -0.343 30 20 DBED N#CCSCC(=O)N[C@H]1[C@H]2C[C@H]1N(CCN1CCNC1=O)C2 1754420560 MGYXSMLUQYXPBT-LOWVWBTDSA-N 323.422 -0.543 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@@H]1CNC(=O)c1c(C)ncn1C 1754486179 JZBBGCDURNQHQM-CHWSQXEVSA-N 317.393 -0.329 30 20 DBED CCn1cccc1C(=O)NCC1(NCC(=O)NCC#N)CC1 1754534242 IZUAFEHLTHWCTO-UHFFFAOYSA-N 303.366 0.000 30 20 DBED C#CCNC[C@@H](NC(=O)CC[C@H]1NC(=O)NC1=O)C1CCCC1 1754655952 IBPNUTXGYRQVHR-CHWSQXEVSA-N 320.393 -0.128 30 20 DBED CC#CCNC1(CNC(=O)[C@H]2COCCN2CC)CCOCC1 1754737401 LMFGKCLRBHHJKD-OAHLLOKOSA-N 323.437 -0.015 30 20 DBED C#CCOCCC(=O)NC[C@@]1(O)CCN(Cc2cnon2)C1 1754751721 SEUYHDSONXSIRV-AWEZNQCLSA-N 308.338 -0.838 30 20 DBED COCC#CCNC1CCN(CCNC(=O)CCOC)CC1 1754847754 XALJMRUODKHUBG-UHFFFAOYSA-N 311.426 -0.157 30 20 DBED N#CCN1CCC(CO)(NC(=O)[C@H]2CCn3cncc3C2)CC1 1755178587 JWWJPPXSMZJGFN-ZDUSSCGKSA-N 317.393 -0.088 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC(CCO)(NC(=O)C2CCCC2)C1 1755330308 QDTWCQHMWYHKIT-CYBMUJFWSA-N 321.421 -0.133 30 20 DBED CC#CCN1CC([C@H](C)NC(=O)CN(C)S(=O)(=O)CC)C1 1755389518 YHMQJVYSAGKFGF-LBPRGKRZSA-N 315.439 -0.272 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@H](CO)CNC(=O)C1CCOCC1 1755621448 OHGGLGISSAFRKJ-YPMHNXCESA-N 313.398 -0.830 30 20 DBED NC(=O)CC(=O)NC[C@H](CO)NCC#Cc1ccccc1Cl 1755623309 SSZNREYIIANNTR-GFCCVEGCSA-N 323.780 -0.366 30 20 DBED C=CCN1CC=C(CNC(=O)CS(=O)(=O)N(C)C)CC1 1755898684 WNCFFSRHRGCXKH-UHFFFAOYSA-N 301.412 -0.188 30 20 DBED C[C@H](CNC(=O)[C@H]1CCN(C)C1=O)N(C)C(=O)C#CC1CC1 1756062223 NJUKXOHPPRJZAZ-DGCLKSJQSA-N 305.378 -0.159 30 20 DBED C#CCOCCC(=O)N[C@@H](CO)CNC(=O)[C@]1(C)CCOC1 1756545583 QJYVHHQILRIBJL-IUODEOHRSA-N 312.366 -0.954 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@H](O)CN(C)C(=O)c1ccccn1 1756651605 NEXFNVPTLJHUDH-MLGOLLRUSA-N 321.377 -0.042 30 20 DBED C=CCCC(=O)NC[C@@H](O)CN(C)C(=O)c1cnn(C)c1N 1756659939 XGXUYZQCNGISNY-SNVBAGLBSA-N 309.370 -0.482 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2n[nH]c(C)c2C)C1 1756987027 RLXMNHWFZIFMCU-VXGBXAGGSA-N 322.365 -0.469 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(C(=O)C2(CC)CC2)C[C@H]1O 1756997004 CDGFOWGAKPIWRQ-JHJVBQTASA-N 308.378 -0.097 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)c2c[nH]nc2C)C[C@H]1OC 1757120055 JPTJCCWZHQBMNE-CHWSQXEVSA-N 322.365 -0.124 30 20 DBED CC(C)(C)C#CC(=O)N1C[C@H](O)[C@H](NC(=O)Cc2nc[nH]n2)C1 1757214807 UMWPRBCRDPKIIP-MNOVXSKESA-N 319.365 -0.915 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1nccn1C)CCO2 1783049847 WRZPBEXTSHQQSW-OAHLLOKOSA-N 302.334 -0.503 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1[C@H]3COC[C@H]31)CCO2 1783053633 MUWDBMWQLMJCSS-TWJWRFFLSA-N 304.346 -0.658 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)/C=C(\C)NC(C)=O)CCO2 1783055639 ZGCDWGAPHLVQDS-YHVDPYDOSA-N 319.361 -0.511 30 20 DBED C[C@H](O)C(=O)N1CC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1783510163 HDVNAPNJZINGLY-XHDPSFHLSA-N 309.366 -0.253 30 20 DBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@H]1F 1793675348 AOJBDMUFTCLGHU-AHMQBVQWSA-N 324.308 -0.978 30 20 DBED COCC(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1 1834969905 NSGCQKKSJKSUFU-CQSZACIVSA-N 311.338 -0.997 30 20 DBED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCN(C)C)CCO2 1835391239 SIKVBSANGDITDR-MRXNPFEDSA-N 323.393 -0.972 30 20 DBED C=CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)C(=O)N(C)C)C2 1841608398 PWRQDSNYTPEZCR-GFCCVEGCSA-N 323.393 -0.131 30 20 DBED C#CC(=O)N1CCCC12CN(C(=O)[C@@H]1CCCS1(=O)=O)C2 1845960374 WJUNXOHILJVYNP-NSHDSACASA-N 310.375 -0.600 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC(=O)NC(C)(C)C)C1=O 5806581 MYOJXRZLVAAADG-UHFFFAOYSA-N 310.310 -0.413 30 20 DBED N#CCNC(=O)CN1CCCN(CC(=O)N2CCCC2)CC1 108852021 ZNPVFZRLDCHKLO-UHFFFAOYSA-N 307.398 -0.744 30 20 DBED CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCN(C(=O)CO)CC1 152859322 VEOUQJIFITXSFT-IUODEOHRSA-N 310.398 -0.434 30 20 DBED CNC(=O)CN1CCN(C(=O)c2ccc(C#N)c(O)c2)CC1 188298302 QSXDWWBSYHEMTK-UHFFFAOYSA-N 302.334 -0.232 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(CC(=O)NCCOC)CC1 247839293 KJJQDBWEHWLFOI-ZDUSSCGKSA-N 312.414 -0.943 30 20 DBED C=C[C@@H](CO)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 290657137 RKTNMJJYCXBLRG-PWSUYJOCSA-N 323.374 -0.112 30 20 DBED C#CCO[C@H](C)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 294554989 RIHBZHQDMYCDKP-LLVKDONJSA-N 302.334 -0.005 30 20 DBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1C[C@@H](O)C1 298326060 KDQNODYTGDNAME-ZMLRMANQSA-N 323.374 -0.135 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C)Cn2ccnc2)C1=O 299599897 XJFZYFPLRBBUPM-JTQLQIEISA-N 319.321 -0.635 30 20 DBED C#CCN(CC(=O)O)S(=O)(=O)c1ccc2c(c1)CC(=O)N2C 316540464 QQLAWKQOIREMJV-UHFFFAOYSA-N 322.342 -0.086 30 20 DBED CC(=O)N1CC[C@H](/N=C(/O)N2CC[C@@H]3OCCN(C)[C@H]3C2)C1 328901049 YQAGJVDGKIGDTO-IHRRRGAJSA-N 310.398 -0.074 30 20 DBED C[C@@H]1OCC[C@@H]1N/C(O)=N/C[C@@H]1CCN(S(C)(=O)=O)C1 328905586 AXELPOBZXAJYQR-DCAQKATOSA-N 305.400 -0.051 30 20 DBED CN(C)c1noc(CN/C(O)=N/CCN2CCCOCC2)n1 329611635 DIAUYVAYTFKBHM-UHFFFAOYSA-N 312.374 -0.139 30 20 DBED CN1C[C@H](/N=C(/O)N2CCN(C[C@H]3CCOC3)CC2)CC1=O 330126795 IVFKJFXXNVQDJE-CHWSQXEVSA-N 310.398 -0.215 30 20 DBED Cn1cc2c(n1)CCC[C@H]2N/C(O)=N/CCS(N)(=O)=O 330393137 KDBKAMHFOVBZIV-SECBINFHSA-N 301.372 -0.410 30 20 DBED COC(=O)[C@@H]1CN(/C(O)=N/CCNC(=O)C(C)(C)C)CCO1 330592075 RQIHXWYGIHILHI-JTQLQIEISA-N 315.370 -0.064 30 20 DBED CNC(=O)c1ccc(/C(O)=N/CCN2CCN(C)CC2)cn1 330605913 MXSFNRNLCQTIAL-UHFFFAOYSA-N 305.382 -0.007 30 20 DBED C=C[C@@H]1OCC[C@H]1NC(=O)N1CCC[C@H](N2CCNCC2=O)C1 333809777 PJVWLQPOXPROQD-MJBXVCDLSA-N 322.409 -0.064 30 20 DBED CNC(=O)[C@H](C)CN(C)S(=O)(=O)N(CCC#N)CCOC 337074312 QSMRBOKLDYRPIR-LLVKDONJSA-N 320.415 -0.593 30 20 DBED CC[C@@]1(C)CN(S(=O)(=O)N2CCO[C@H](C#N)C2)CCO1 337150868 JHCUPNGLLNZJIG-NEPJUHHUSA-N 303.384 -0.044 30 20 DBED C=CCOC[C@H](NC(=O)C(C)(C)N1CCOCC1)C(=O)OC 338280659 NIVZJTFRXVLYKY-LBPRGKRZSA-N 314.382 -0.042 30 20 DBED COCCOCCOCCS(=O)(=O)N1CCO[C@H](C#N)C1 338418021 AITUMPSTEFUPJL-GFCCVEGCSA-N 322.383 -0.780 30 20 DBED CNC(=O)[C@@H]1CN(C(=O)C(=O)Nc2sccc2C#N)CCO1 340171626 JAZBJKFMXBEKKV-VIFPVBQESA-N 322.346 -0.468 30 20 DBED COC(=O)CN1CCN(S(=O)(=O)CC2(C#N)CCC2)CC1 349456556 NFSYKFYOYWROIW-UHFFFAOYSA-N 315.395 -0.199 30 20 DBED C=C[C@H](CO)NC(=O)Nc1cccc(C(=O)NCC(=O)NC)c1 350865085 JPRUKNQPKBRNRS-LLVKDONJSA-N 320.349 -0.169 30 20 DBED CC(C)N1CCN(C(=O)CNc2ccc(C#N)cn2)CC1=O 357578627 NXBPFUKSNMYWSY-UHFFFAOYSA-N 301.350 0.444 30 20 DBED N#C[C@@H]1CCC[C@H]1NS(=O)(=O)N1CCS(=O)(=O)CC1 360469636 VEUZAZYMDHRWQR-VHSXEESVSA-N 307.397 -0.757 30 20 DBED N#Cc1ccccc1N1CCCN(C(=O)C(=O)NCCN)CC1 419818744 OUHWUGDKRXLSEZ-UHFFFAOYSA-N 315.377 -0.328 30 20 DBED C=CCN(CCOC)C(=O)C(=O)NC[C@H](C)S(C)(=O)=O 518239147 UQYZNTZAWZDJOI-JTQLQIEISA-N 306.384 -0.803 30 20 DBED C=CCN(C)C(=O)C(=O)Nc1cnn(CCN2CCOCC2)c1 526103198 SMLBZQAUHWDDEU-UHFFFAOYSA-N 321.381 -0.202 30 20 DBED CCN(C[C@@H](C)C#N)C(=O)[C@H]1CCCN(S(N)(=O)=O)C1 596824366 WCSXDTJNRCNDED-QWRGUYRKSA-N 302.400 -0.090 30 20 DBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC/C=C\CO 597994872 WZIZXJSTIVEORN-QUCGXOGASA-N 323.374 -0.110 30 20 DBED COC(=O)C[C@@H](O)CNC(=O)C(=O)Nc1cccc(CC#N)c1 600060987 UWFYBFVIYHIALI-GFCCVEGCSA-N 319.317 -0.269 30 20 DBED N#CCCN1CCN(C(=O)C(=O)NCc2cccnc2)CC1 602222674 GPTGEUKBCKEYHM-UHFFFAOYSA-N 301.350 -0.244 30 20 DBED Cn1cc(C#N)c(NC(=O)N2CCN(S(C)(=O)=O)CC2)n1 610562289 NQNGSYCAUQJARB-UHFFFAOYSA-N 312.355 -0.599 30 20 DBED C=CCNC(=O)CNC(=O)c1nc(S(C)(=O)=O)ncc1C 613292579 GCFAOUNXZHWNPR-UHFFFAOYSA-N 312.351 -0.779 30 20 DBED CC#CC[C@H](CO)NS(=O)(=O)CCCN1CCN(C)CC1 632505879 MLLAKRJANQJLKS-CQSZACIVSA-N 317.455 -0.682 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 730103835 HHRLPXXMWCQENI-GJZGRUSLSA-N 319.405 -0.066 30 20 DBED CNC(=O)CNC(=S)NN=Cc1ccc(C(=O)NC)cc1 731927353 SXINRQMFHAEBSM-UHFFFAOYSA-N 307.379 -0.410 30 20 DBED CNC(=O)c1cccc(Cn2c(N)nc(C#N)c2-c2nn[nH]n2)c1 736880973 DIBZSKZUOVVZGA-UHFFFAOYSA-N 323.320 -0.075 30 20 DBED C#CCSCCNC(=O)CCn1cc(S(N)(=O)=O)cn1 739821560 PIHWBLHVQYGAJV-UHFFFAOYSA-N 316.408 -0.597 30 20 DBED C#CCSCCNC(=O)[C@H]1CCCN1C(=O)CNC(C)=O 739821922 ZOSISPHGQGOPEG-GFCCVEGCSA-N 311.407 -0.404 30 20 DBED Cc1nc(C#N)c(N2CCN(C(=O)CN(C)CC(=O)O)CC2)o1 740209503 XIBPGGBMPGPDKS-UHFFFAOYSA-N 321.337 -0.480 30 20 DBED C#CCN1CCC[C@H]1C(=O)Nc1ccn(CCS(C)(=O)=O)n1 741236489 HKFODFASBNUWAB-LBPRGKRZSA-N 324.406 -0.036 30 20 DBED CNS(=O)(=O)C[C@H]1CCCN1Cn1cccc(C#N)c1=O 758229172 DQCPEZQATUUBOK-GFCCVEGCSA-N 310.379 -0.309 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)OCCN(CC)CC)C1=O 772069391 PFLHCHIVZUINBV-UHFFFAOYSA-N 311.338 -0.152 30 20 DBED C#CCOc1ccc(NC(=O)C(=O)NCc2nc(O)n[nH]2)cc1 780085257 NCZBBRAODSMIET-UHFFFAOYSA-N 315.289 -0.223 30 20 DBED C#CCOCCNC(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O 784551828 KPQJBCPUZLNZQC-LBPRGKRZSA-N 305.338 -0.526 30 20 DBED COC[C@H](C#N)OC(=O)CN1C(=O)c2ccccc2S1(=O)=O 785045787 JUBHZGOYAONGBJ-VIFPVBQESA-N 324.314 -0.087 30 20 DBED COCCOCCC(=O)NS(=O)(=O)c1cncc(C#N)c1 813982014 AADDCHNHGGUCML-UHFFFAOYSA-N 313.335 -0.189 30 20 DBED C=C[C@H](O)C(=O)O[C@H](C)C(=O)N(CC)[C@@H]1CCS(=O)(=O)C1 814546040 TWTDKXJXOGDNFX-MXWKQRLJSA-N 319.379 -0.499 30 20 DBED CC[C@H](NC(=O)[C@@](C)(C#N)CC(=O)O)C(=O)N1CCOCC1 820278180 IHUNSSOMRHJHFS-IINYFYTJSA-N 311.338 -0.255 30 20 DBED C[C@@H](C(=O)NC1(CO)COC(C)(C)OC1)n1cnc(C#N)n1 834500776 KLPVROQOPCSRJR-VIFPVBQESA-N 309.326 -0.659 30 20 DBED CC[C@H](N)CNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 834827941 YKFJLVXILPCPIY-JTQLQIEISA-N 324.406 -0.031 30 20 DBED C#CCNC(=O)[C@@H](C)OC(=O)c1ccc(S(C)(=O)=O)cc1N 840583564 HZRKPZCJCBJTDM-SECBINFHSA-N 324.358 -0.033 30 20 DBED C#CC[C@H](NS(=O)(=O)c1cnc(Cl)n1C)C(=O)OC 841542020 ZKCLSRHZUCMUMS-ZETCQYMHSA-N 305.743 -0.083 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCC[C@H](C)[C@H]1CN)[C@H]1CCCO1 842164491 VUABYODCFDTWLU-IGQOVBAYSA-N 307.394 -0.131 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N1C[C@@H](C)[C@H](C(=O)OC)C1 875597239 HWYNOHGLNQOPIC-FRRDWIJNSA-N 324.377 -0.202 30 20 DBED C#CC[C@@H](CO)NS(=O)(=O)c1[nH]cnc1Br 882340234 RJXVOVAMJQARTR-LURJTMIESA-N 308.157 -0.165 30 20 DBED C=CCCSCCNC(=O)C(=O)NCCN1CCNC1=O 898107086 VJIQAOJAAPQZFY-UHFFFAOYSA-N 314.411 -0.447 30 20 DBED C#CC1(O)CN(S(=O)(=O)c2ccc(F)cc2C(=O)OC)C1 908227629 FEQJYDNVUVKYDP-UHFFFAOYSA-N 313.306 -0.019 30 20 DBED COCCN(CCC#N)S(=O)(=O)c1n[nH]cc1C(=O)OC 912537975 MPINIKRLUSDGDU-UHFFFAOYSA-N 316.339 -0.253 30 20 DBED C#CCO[C@@H](C)C(=O)NC1(C)CN(C(=O)[C@@H](C)OCC#C)C1 913841346 ZAIBZLWUKRSWMR-QWHCGFSZSA-N 306.362 -0.220 30 20 DBED N#Cc1cc(C(=O)N[C@H]2CCN(C(=O)[C@@H]3COC(=O)N3)C2)c[nH]1 937851551 PYOLOIZKMJXWFT-ONGXEEELSA-N 317.305 -0.675 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)c3nc[nH]n3)C2)nc1 942161202 GZZFLKUQAORYML-LLVKDONJSA-N 310.317 -0.175 30 20 DBED C=CC(C)(C)C(=O)N1CCC[C@@H]1CNC(=O)[C@@H]1CNC(=O)N1 944184430 QKXQKPGZBRVAIC-MNOVXSKESA-N 308.382 -0.013 30 20 DBED C[C@H](C(N)=O)N1CCC2(CC1)CN(C(=O)C#CC1CC1)CCO2 949090193 ZIIMCXUIGVFLFC-CYBMUJFWSA-N 319.405 -0.033 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]1CNC(=O)c1nc2ncccn2n1 951749398 VRNXJNKJQDORHN-UWVGGRQHSA-N 313.321 -0.385 30 20 DBED C[C@H](C#N)C(=O)N1CCC(N(C)C(=O)Cn2cncn2)CC1 954803266 VKDDCFLBQNENBD-LLVKDONJSA-N 304.354 -0.113 30 20 DBED C[C@@H](C#N)C(=O)N1CC(N(C)C(=O)c2ccoc2CC(N)=O)C1 955135247 UOSVNOBMBJWDTQ-VIFPVBQESA-N 318.333 -0.250 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H]1CNC(=O)c1nnc(O)nc1O 956187589 CMCKNXADOIKFEJ-YUMQZZPRSA-N 320.309 -0.837 30 20 DBED C=C(C)CCN1CCN(C(=O)CN2CC(=O)N(C)C2=O)CC1 957309049 GYCFADSLDAHMFG-UHFFFAOYSA-N 308.382 -0.009 30 20 DBED C#CCCN1C[C@@H](O)[C@H](CNC(=O)c2cc(C(N)=O)cn2C)C1 958220341 WURJQWMBASKXNG-TZMCWYRMSA-N 318.377 -0.830 30 20 DBED C=C(C)CN1C[C@@H](O)[C@@H](CNC(=O)c2ccoc2CC(N)=O)C1 958350975 WNOIMMHDWVPLNC-WCQYABFASA-N 321.377 -0.094 30 20 DBED CC#CCN1C[C@H]2C(NC(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)[C@@H]2C1 961746393 QHRMYTUZOGITNB-SYQHCUMBSA-N 319.405 -0.308 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CN(C(=O)[C@@H]3CCC(=O)N3)C[C@H]2C1 962014818 YZVCPYXIHVBVSW-YFKTTZPYSA-N 304.350 -0.659 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(C1)CN(C(=O)[C@@H]1CCCO1)CCO2 965299947 PPJSGLJUEATVPG-RYUDHWBXSA-N 307.350 -0.235 30 20 DBED C[C@@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)[C@H]1CCC(=O)NC1)C2 969816829 FXQBLSIYVNTMFF-CYDGBPFRSA-N 318.377 -0.126 30 20 DBED Cc1cc(C(=O)NC[C@H]2[C@@H]3CN(CC#N)C[C@H]23)ncc1C(N)=O 978747152 POVAESUWSHZIHM-XYYAHUGASA-N 313.361 -0.080 30 20 DBED CN1C[C@@H](C(=O)NC[C@H]2CCN(C(=O)C#CC3CC3)C2)NC1=O 982740671 ZDTHAUHIHVCHBA-OLZOCXBDSA-N 318.377 -0.612 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](CNC(=O)c2cc(=O)n(C)o2)C1 983213975 GVYXBTROBCWWKC-NXEZZACHSA-N 306.322 -0.284 30 20 DBED CC(=O)NCc1nc(O)cc(CNC(=O)c2ccc(C#N)[nH]2)n1 984124713 DVEPQJVEBYMPRS-UHFFFAOYSA-N 314.305 -0.052 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@@H](NC(=O)c2ncn(C)n2)[C@H](O)C1 991449211 YVZSBTNMPPHAMG-GHMZBOCLSA-N 321.381 -0.281 30 20 DBED C=C1CC(C)(C(=O)N2CC[C@H](NC(=O)c3cnn[nH]3)[C@H](O)C2)C1 991589848 PULCZZGFDTXHFK-CMPLNLGQSA-N 319.365 -0.147 30 20 DBED C=CCCn1cc(C(=O)NC2CN(C(=O)[C@H](O)C(C)C)C2)nn1 991978539 BIHWKMYDCGJYHD-CYBMUJFWSA-N 321.381 -0.188 30 20 DBED C[C@@H](C#N)C(=O)N1CC(N2C[C@@H](NC(=O)C3(C)CC3)CC2=O)C1 995494358 MOUSHPLJNKKLOD-QWRGUYRKSA-N 318.377 -0.126 30 20 DBED C#CCN[C@H]1CN(C(=O)CCn2ncn(C)c2=O)CC1(C)C 996098592 KNYXZNBTWCYDLM-LBPRGKRZSA-N 305.382 -0.568 30 20 DBED N#Cc1cc(C(=O)N2CCC[C@@H](N[C@H]3CCNC3=O)C2)c[nH]1 998967971 DVLDQUVTHRFJEP-YPMHNXCESA-N 301.350 -0.031 30 20 DBED C=CCCn1cc(C(=O)N2CCC[C@H](N[C@@H](C)C(N)=O)C2)nn1 1000430217 VWWZDHSOHPCBNT-RYUDHWBXSA-N 320.397 -0.078 30 20 DBED C=CC(C)(C)C(=O)N1CC([C@@H](C)NC(=O)c2nnn(C)n2)C1 1006638688 FVIONWVBVUYPKH-SECBINFHSA-N 306.370 -0.001 30 20 DBED C=CCCn1cc(C(=O)NC2CC(N(C)C(=O)C(N)=O)C2)nn1 1016950131 IIJQHTPCOIHYAC-UHFFFAOYSA-N 320.353 -0.941 30 20 DBED C=CCN1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1ccc(O)nc1=O 1017715284 XKMDBXNQTUPZGR-TXEJJXNPSA-N 304.350 -0.190 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@H](NCc2cnn(C)n2)C1 1018986091 RNMYNVPCFRTUSQ-ZFWWWQNUSA-N 316.409 -0.397 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](NCc2nnnn2C)C1 1019498900 YPWLTTOVAKAKFG-OBJOEFQTSA-N 320.397 -0.118 30 20 DBED C=CCN1CC[C@@H](N[C@H]2CCN(C(=O)c3nc[nH]n3)C2)C1=O 1019534805 RGCIQNSDAZFVJK-WDEREUQCSA-N 304.354 -0.604 30 20 DBED C[C@H]1[C@@H](NC(=O)CN2C(=O)CCC2=O)CCN1C(=O)[C@H](C)C#N 1020538753 SHEKICLSWYJLRU-VWYCJHECSA-N 320.349 -0.599 30 20 DBED C#CCN1CC[C@H]2[C@H](CCCN2C(=O)Cn2cnnc2O)C1 1021567771 YJFSLVUVLKIBFN-OLZOCXBDSA-N 303.366 -0.070 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)C(F)F)C[C@H]2O)nc1 1024926239 WZPZPNMTEQOSKW-GHMZBOCLSA-N 309.272 -0.371 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(C3CC3)[nH]n2)C1 1025776139 TUHOSDYHEBRVSV-ZEGGKSINSA-N 317.349 -0.252 30 20 DBED C#CCCN1CCC[C@H]1CNC(=O)[C@H]1CCN(C)S1(=O)=O 1028196875 UIIHDAKBCXFNLY-QWHCGFSZSA-N 313.423 -0.376 30 20 DBED C=CCCN1[C@H]2CC[C@H]1CN(C(=O)[C@@H]1CCS(=O)(=O)N1)C2 1029587982 DOPGPYHVHYNSMY-AVGNSLFASA-N 313.423 -0.071 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN(Cc2nc(C)no2)C1 1030462184 KNIPLWDAHHLZKZ-ZDUSSCGKSA-N 303.366 -0.224 30 20 DBED C#Cc1cncc(C(=O)NC[C@H]2CN([C@H](C)C(N)=O)CCO2)c1 1035505437 JQISRHRSIFMHDG-RISCZKNCSA-N 316.361 -0.633 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2CCN2CCS(C)(=O)=O)cn1 1038942659 ZQULAUBBYOYCFJ-CQSZACIVSA-N 321.402 -0.088 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)c2ccc(O)nc2)C1 1040892090 DOEQVAQKQIZEQZ-BMIGLBTASA-N 318.333 -0.360 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCN(C)[C@@H]2C)C1 1041969432 LPOPXSKOYNLGKA-CHWSQXEVSA-N 309.410 -0.018 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)Cn2ccnc2C)C1 1042053070 ZFQTXTAOOYKZOG-UHFFFAOYSA-N 322.365 -0.916 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(O)CN(C(=O)c2cccn2C)C1 1042809564 NRIIGYLBPNTQCK-HNNXBMFYSA-N 321.377 -0.345 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)[C@@H]2CC2(F)F)C1 1042912812 VHEIPUQZJOVCQL-JTQLQIEISA-N 300.305 -0.010 30 20 DBED C=CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)c2cc[nH]n2)C1 1043572517 VZVYWEZZXXWMKA-SNVBAGLBSA-N 308.338 -0.696 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)CCc2ccncc2)C1 1043798176 PFBOSIOEHQVZIV-GFCCVEGCSA-N 316.361 -0.137 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CN(c3nccnc3C#N)C[C@@H]2O)c[nH]1 1043877016 JLSPOABSDLRCLO-OLZOCXBDSA-N 323.316 -0.472 30 20 DBED N#Cc1nccnc1N1C[C@H](O)[C@H](NC(=O)[C@H]2CCCCO2)C1 1043894198 WTRDQAKQLTVWMI-FRRDWIJNSA-N 317.349 -0.417 30 20 DBED Cn1cncc1CC(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1044007800 XALKDCFSNZEWTN-UHFFFAOYSA-N 316.361 -0.935 30 20 DBED C#CCOc1ccc(C(=O)N(C)C2CN(CC(N)=O)C2)cc1 1044019632 BMSYGEGPDFLDKE-UHFFFAOYSA-N 301.346 -0.060 30 20 DBED COc1nc(C(=O)NCC2(O)CN(C(=O)[C@@H](C)C#N)C2)co1 1044077006 TWXZWFDNEPWPAL-QMMMGPOBSA-N 308.294 -0.854 30 20 DBED C#CCCCC(=O)N(C)[C@H]1CN(C(=O)c2cnnn2C)C[C@@H]1O 1048750345 QJNCBLPLCNZVKU-STQMWFEESA-N 319.365 -0.738 30 20 DBED N#Cc1cccnc1N(CCO)[C@@H]1CCCN(C(=O)C(N)=O)C1 1049163336 BYHCBAVLEQCORH-GFCCVEGCSA-N 317.349 -0.772 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)c1cn2c(n1)COCC2 1050980983 DGGGNFDGCYKIGN-LBPRGKRZSA-N 304.350 -0.523 30 20 DBED CC#CCN1CCN([C@H]2CCN(C(=O)c3nc[nH]n3)C2)CC1 1052098550 KOOSQDQBGYDABF-ZDUSSCGKSA-N 302.382 -0.340 30 20 DBED C#CCCN1CCC[C@H](NC(=O)CN2CCNC(=O)C2)CC1 1052622018 MITHKCHQLKXDII-AWEZNQCLSA-N 306.410 -0.588 30 20 DBED C#CCN1CC2(C1)CN(C(=O)Cn1ccccc1=O)CCO2 1053529296 SUAIFSKSAARXLO-UHFFFAOYSA-N 301.346 -0.605 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)C3)CO2)C1 1053927594 GCDAABPBTIBIOZ-RDBSUJKOSA-N 319.405 -0.129 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)[C@@H]3CCCC(=O)N3C)CO2)C1 1053997699 VALOVBJOVOBSKA-KBPBESRZSA-N 319.405 -0.020 30 20 DBED C#CCN1CC[C@]2(CCCN(C(=O)Cn3c(O)nnc3O)C2)C1 1054233126 DBMAEFUPKYZMSV-OAHLLOKOSA-N 319.365 -0.363 30 20 DBED N#Cc1ccc(N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)Cn2cnnn2)nc1 1055282806 PMYLNQKCXYYZHH-UPJWGTAASA-N 324.348 -0.134 30 20 DBED C=CCO[C@@H](C)C(=O)N1C[C@@H]2CN(C(=O)CC(=O)NC)C[C@@H]2C1 1055300214 KJTOXLDITNGNQL-RWMBFGLXSA-N 323.393 -0.370 30 20 DBED N#Cc1ccc(N2CCN(C(=O)[C@H]3COCCO3)CC2)nn1 1055727779 HJAPZIMSWZYQCS-GFCCVEGCSA-N 303.322 -0.588 30 20 DBED Cn1c(C(=O)N2CCN(c3ccnc(C#N)n3)CC2)cnc1O 1055973989 OEBTVLWJSYOJEB-UHFFFAOYSA-N 313.321 -0.250 30 20 DBED C#CCCCCCC(=O)N[C@@]1(CO)CCCN(C(=O)C(N)=O)C1 1056037903 UAFRXZCSDTVNML-INIZCTEOSA-N 323.393 -0.475 30 20 DBED Cn1ncc(C(=O)NC2[C@@H]3CN(c4ncccc4C#N)C[C@@H]23)n1 1056256726 NCKAKOPZAFZMFU-GHMZBOCLSA-N 309.333 -0.054 30 20 DBED N#Cc1ccc(N[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)C2)cn1 1056764280 OYBLTLXKWVDHJK-NEPJUHHUSA-N 300.322 -0.353 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)CCn1cncn1 1056991581 BCFFBDDQIWDOLH-UHFFFAOYSA-N 309.370 -0.429 30 20 DBED O=C(NCCN(CCO)C(=O)C#CC1CC1)c1cccnn1 1057533773 WCGRRGAYEYGMDG-UHFFFAOYSA-N 302.334 -0.559 30 20 DBED N#Cc1nccnc1N[C@H]1CCCN(C(=O)[C@H]2COC(=O)N2)C1 1057631300 NOZYNLKFNZJSFW-GXSJLCMTSA-N 316.321 -0.140 30 20 DBED N#Cc1cccnc1N1CCC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1 1058231943 WXGDYPRPKGELAU-NEPJUHHUSA-N 314.349 -0.280 30 20 DBED CCCN(C)CCC(=O)N(CCO)CCNC(=O)[C@H](C)C#N 1058252453 KMBLKVSTPBUSQP-CYBMUJFWSA-N 312.414 -0.185 30 20 DBED N#Cc1nccnc1N1CC[C@H](NC(=O)Cn2cnnc2O)C1 1058320589 GOCCIKMGXANTME-VIFPVBQESA-N 314.309 -0.960 30 20 DBED O=C(C#CC1CC1)NCC[C@@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 1059573984 IIKGVCYIHRAHAP-CHWSQXEVSA-N 319.361 -0.137 30 20 DBED N#Cc1cnc(N[C@H]2C[C@@H](NC(=O)[C@@H]3CCC(=O)N3)C2)cn1 1059683719 CRILDKSFUSJETL-NGZCFLSTSA-N 300.322 -0.314 30 20 DBED N#Cc1cnc(N[C@H]2C[C@@H](NC(=O)[C@H]3CCCNC3=O)C2)cn1 1059740389 LNTRZRRNDXXTRP-UMNHJUIQSA-N 314.349 -0.066 30 20 DBED N#Cc1nc(=NC[C@@H]2CCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C2)cc[nH]1 1060964307 NPKDTAMFFIOEKO-UUIJZJDISA-N 313.361 -0.077 30 20 DBED C=CCCC(=O)N1CCOC[C@H]1CNC(=O)CNC(=O)CC 1061427407 AVKQLUDAWKOQHV-GFCCVEGCSA-N 311.382 -0.178 30 20 DBED Cn1cc(C(=O)NC[C@@H]2CCN(c3ccnc(C#N)n3)C2)nn1 1061582417 BFJVLJVGXOWGNW-JTQLQIEISA-N 312.337 -0.267 30 20 DBED C#CCNC(=O)CC(=O)NCC1(NC(=O)c2ncc[nH]2)CCC1 1062829198 CUSXOFQFQTYQEL-UHFFFAOYSA-N 317.349 -0.682 30 20 DBED CN(C(=O)[C@@H]1CCNC1=O)[C@H]1CCN(c2ccc(C#N)nn2)C1 1063004924 RYJMJCDRRKAUFW-NWDGAFQWSA-N 314.349 -0.479 30 20 DBED N#Cc1cccnc1N1CCO[C@@H](CNC(=O)c2cnn[nH]2)C1 1063673510 ODPUAKNJZPFJGT-NSHDSACASA-N 313.321 -0.293 30 20 DBED N#Cc1nccnc1N1CC[C@H]2CC[C@@H](C1)N2C(=O)CC(N)=O 1064465337 DBMAVZQSJXWHKR-MNOVXSKESA-N 314.349 -0.207 30 20 DBED Cc1nn[nH]c1C(=O)N1CCC[C@H]1CN=c1cc[nH]c(C#N)n1 1064986060 RCLYZCDJLFGWSZ-JTQLQIEISA-N 312.337 -0.087 30 20 DBED COCC(=O)N1CCO[C@@H](CN=c2cc(C)[nH]cc2C#N)C1 1066595588 SVUXNNWJGHIFKU-ZDUSSCGKSA-N 304.350 -0.031 30 20 DBED N#Cc1cncc(N2C[C@H](O)[C@H](CNC(=O)c3cc[nH]n3)C2)n1 1067651021 FIFDVXFZDCXLGD-SKDRFNHKSA-N 313.321 -0.702 30 20 DBED CC(=O)NCC(=O)N1CC2(CN(C(=O)C#CC(C)C)CCO2)C1 1068394436 UWFNUASEYGFNJB-UHFFFAOYSA-N 321.377 -0.778 30 20 DBED C[C@H]1[C@H](Nc2ccc(C#N)nn2)CCN1C(=O)CS(C)(=O)=O 1068775325 WCBOHLPMCDJIMB-GXSJLCMTSA-N 323.378 -0.206 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1COC2(C1)CN(C(=O)CCCC(N)=O)C2 1069007520 GRKZLGDDRGHIFL-QWRGUYRKSA-N 322.365 -0.712 30 20 DBED C=CCN[C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1c1cn(C)cn1 1070466224 ZUERUEJGPKTKPA-WCQYABFASA-N 316.369 -0.823 30 20 DBED C=CCCN1CCNC(=O)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1070963250 JBTFASSIBNMGHD-CHWSQXEVSA-N 324.381 -0.122 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CCCN(C(=O)c2nnn(C)n2)C1 1071108511 MBWODBUTSIOMSW-GHMZBOCLSA-N 322.369 -0.478 30 20 DBED CC#CCCCC(=O)N[C@H]1CN(C(=O)Cn2cnnn2)C[C@H]1C 1071555297 BDFHTVIBDJGONC-OLZOCXBDSA-N 318.381 -0.170 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CN(C(=O)c2cocn2)C[C@@H]1C 1071805001 JKZUANICLJLFML-QWRGUYRKSA-N 318.333 -0.609 30 20 DBED C#CCOCCC(=O)N[C@H]1CCN(C(=O)c2cnn[nH]2)C[C@@H]1C 1073958912 ALUFVEHHLGUJGR-RYUDHWBXSA-N 319.365 -0.189 30 20 DBED C=CCOCC(=O)N1CC[C@H](NC(=O)c2nc[nH]n2)[C@@H](C)C1 1074107209 NLFXQSOPGRNLLI-QWRGUYRKSA-N 307.354 -0.026 30 20 DBED C#CCNC(=O)CC(=O)NCC1(O)CCN(C(=O)C(C)C)CC1 1074478526 HGMNNCQJDJUEQI-UHFFFAOYSA-N 323.393 -0.748 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H](C)CCNC(=O)CC(=O)NCC 1076221306 JTTBDMYQOZIWFG-XHDPSFHLSA-N 313.398 -0.149 30 20 DBED C#CCC1(C(=O)NCC[C@H](C)NC(=O)[C@H]2CNC(=O)N2)CCC1 1076834922 IMUPFCMNNKULSN-NWDGAFQWSA-N 320.393 -0.128 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCNC2=O)C1 1077174597 QHUDLDAIMSVRBD-GMTAPVOTSA-N 301.774 -0.574 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2ccnn2C2CCOCC2)C1 1077814183 XGPGEUZUSRIRLM-UKRRQHHQSA-N 318.377 -0.357 30 20 DBED C#CCN1CCC(C(=O)N[C@@H]2CN(CCOC)C[C@H]2O)CC1 1078227138 KUQISFHHIMVALK-HUUCEWRRSA-N 309.410 -0.861 30 20 DBED N#CCN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)Cn1c(O)nnc1O)C2 1079094734 QKGDPSUPZCFSFZ-OPRDCNLKSA-N 306.326 -0.818 30 20 DBED CC(C)C#CC(=O)NC1(CO)CCN(C(=O)c2nc[nH]n2)CC1 1080849518 BLJIFEQQXXXGCO-UHFFFAOYSA-N 319.365 -0.453 30 20 DBED C[C@H](C#N)C(=O)NC1(CO)CCN(C(=O)c2ccnn2C)CC1 1080979838 BZPDVOXEZZSUKL-LLVKDONJSA-N 319.365 -0.337 30 20 DBED COCC(=O)NC[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1O 1081178054 KSUXZBRMTBSQQH-CMPLNLGQSA-N 306.322 -0.918 30 20 DBED Cc1nonc1C(=O)N1C[C@@H](O)[C@@H](CNC(=O)C#CC(C)C)C1 1081463232 KQIZDRVQUFSVEW-NWDGAFQWSA-N 320.349 -0.413 30 20 DBED Cc1n[nH]cc1C(=O)NC[C@@H]1CN(C(=O)C#CC(C)C)C[C@@H]1O 1081636129 ZJXFKCRJUQUMLK-OCCSQVGLSA-N 318.377 -0.073 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@H](CNC(=O)CCCF)C1 1081659892 DFVKWOZKDVMTKR-NEPJUHHUSA-N 302.346 -0.126 30 20 DBED C[C@@H](C(=O)N1CCO[C@@H]2CN(CC#N)C[C@@H]21)c1ccnn1C 1083084474 RIWAHIFTDZTQAV-KWCYVHTRSA-N 303.366 -0.041 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)[C@H]2CC(=O)N(CCC)C2)C1 1083820851 ITUNRJAXCBLYBJ-MJBXVCDLSA-N 309.410 -0.018 30 20 DBED Cn1ncc2cc(C(=O)N[C@@H]3CN(CC#N)C[C@@H]3O)cnc21 1083890010 LZEVXGWRRGYZFV-NEPJUHHUSA-N 300.322 -0.733 30 20 DBED C=CCN[C@@H]1CC[C@H](CNC(=O)c2cn(CC(N)=O)nn2)C1 1086882644 CDRPZDMKEHTYDQ-WDEREUQCSA-N 306.370 -0.563 30 20 DBED C#CCCN1C[C@H]2CC[C@H]1[C@H]1CN(C(=O)Cn3cnnn3)C[C@@H]21 1087335091 GBBSSVZOAPCZLJ-QPSCCSFWSA-N 314.393 -0.135 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cncc3ncn(C)c23)[C@@H](O)C1 1090332661 BZQJAKSGRFDYIJ-JSGCOSHPSA-N 313.361 -0.234 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2cccc(C(N)=O)c2)[C@H](O)C1 1090366086 XCNSLKXCPIGOPH-LSDHHAIUSA-N 315.373 -0.026 30 20 DBED COCc1ncsc1C(=O)N[C@H]1CCN(CC#N)C[C@H]1O 1090635019 YWXVGVHXHFCRKX-GXSJLCMTSA-N 310.379 -0.022 30 20 DBED C=CCN1CC[C@H](NC(=O)c2c(OC)ncnc2OC)[C@H](O)C1 1090844945 UZZWBEUBALRXSL-WDEREUQCSA-N 322.365 -0.155 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(c2nccc(C)n2)C[C@@H]1O 1091149650 CERJPJPMTRJWAF-OLZOCXBDSA-N 304.350 -0.509 30 20 DBED Cc1cc(C#N)nc(N[C@@H]2CC[C@H](CNC(=O)C(N)=O)C2)n1 1091630575 UHOGVPPMYDJWJY-VHSXEESVSA-N 302.338 -0.161 30 20 DBED CC(C)(C(N)=O)C(=O)NC1[C@H]2CN(c3ccnc(C#N)n3)C[C@H]12 1093317471 ZPYFOYMRXIOCEB-IUCAKERBSA-N 314.349 -0.589 30 20 DBED C#CCCN1CC(n2cc(CNC(=O)c3ncccn3)nn2)C1 1094330651 OITKJJABYCHMSB-UHFFFAOYSA-N 311.349 -0.122 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)C3=CCOCC3)CC2=O)C1 1094732140 XUGNGKPEEZILLX-ZDUSSCGKSA-N 305.378 -0.080 30 20 DBED CN(CCCNC(=O)C1(C(N)=O)CC1)c1ccnc(C#N)n1 1095717999 GFIGPMDIVJGTAL-UHFFFAOYSA-N 302.338 -0.444 30 20 DBED CN(C)CCOCC(=O)N1CC[C@H](N=c2cc[nH]c(C#N)n2)C1 1096946560 BUWOQAICUUQUCY-LBPRGKRZSA-N 318.381 -0.639 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1C)Nc1ccc(C#N)nn1 1098199976 LOBUQEZWMMMNQY-ONGXEEELSA-N 302.338 -0.114 30 20 DBED CN1C[C@H](C(=O)N2CCC(N(CC#N)CCO)CC2)CCC1=O 1098575562 VBGQXXBTSGYPNF-CYBMUJFWSA-N 322.409 -0.336 30 20 DBED CCNC(=O)CC(=O)NCC[C@H](C)N=c1cc[nH]c(C#N)n1 1098983986 KPKKRBYPPZXOLX-JTQLQIEISA-N 304.354 -0.397 30 20 DBED C[C@@H](CCNC(=O)[C@@H]1COCCN1C)Nc1cncc(C#N)n1 1099022958 YGYFMQMRAVLRND-AAEUAGOBSA-N 318.381 -0.014 30 20 DBED N#CCN1CC[C@H](NC(=O)CCc2ccc(O)nc2)[C@H](O)C1 1099970410 XBTFCYXLXAJWSV-QWHCGFSZSA-N 304.350 -0.205 30 20 DBED CCC(=O)NCC(=O)NCCN(C)c1nc(C)cc(C#N)n1 1100002599 DYMNHVIXZISJSO-UHFFFAOYSA-N 304.354 -0.265 30 20 DBED CCn1nncc1C(=O)NCCN(C)c1nccnc1C#N 1100052436 RGWMJVYTUWMJCC-UHFFFAOYSA-N 300.326 -0.174 30 20 DBED C#CCN1CC[C@@H](NC(=O)CCNC(=O)c2ccco2)[C@@H](O)C1 1100101436 MFDAGIOIRSMMSF-OLZOCXBDSA-N 319.361 -0.416 30 20 DBED C=CCN1CC[C@@H](NC(=O)CCS(=O)(=O)N(C)C)[C@@H](O)C1 1100122672 VFYRBDKDEBKGIR-NEPJUHHUSA-N 319.427 -0.995 30 20 DBED CN1CC[C@@H](C(=O)NCCN(C)c2ccc(C#N)nc2)C1=O 1100273360 PZICNLCDYCKQIT-ZDUSSCGKSA-N 301.350 -0.016 30 20 DBED CN(CCNC(=O)[C@@]1(C)CCNC1=O)c1nccnc1C#N 1100325854 ZTBLHNQTVRZSDQ-AWEZNQCLSA-N 302.338 -0.573 30 20 DBED CC(=O)NCC(=O)NC[C@H]1CCN(c2nccnc2C#N)C1 1100925998 KUDANJAUSAWFCT-LLVKDONJSA-N 302.338 -0.573 30 20 DBED CCCN(CCNC(=O)[C@@H]1CCC(=O)N1)c1ccc(C#N)nn1 1101163185 AUVIRPDOLNXXIA-LBPRGKRZSA-N 316.365 -0.041 30 20 DBED N#Cc1cnc(N(CCNC(=O)[C@H]2COC(=O)N2)C2CC2)cn1 1101335827 BOUZZGTYLYKFAT-LLVKDONJSA-N 316.321 -0.458 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)CCS(C)(=O)=O 1102038825 AQQSPZOGORZJID-UHFFFAOYSA-N 311.367 -0.925 30 20 DBED CNC(=O)CC(=O)N1CC[C@@H](CN(C)c2ccc(C#N)nn2)C1 1102439407 CIYZVZGLLAEKPQ-NSHDSACASA-N 316.365 -0.231 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H](CC)Nc1nccn2nnnc12 1103197768 GDNHOQDGLQNJOS-GHMZBOCLSA-N 317.353 -0.136 30 20 DBED CNC(=O)CC(=O)NCC[C@H]1CCCN1c1ccnc(C#N)n1 1103742219 WPKKAEMYRRNOLB-LLVKDONJSA-N 316.365 -0.041 30 20 DBED Cc1cc(=NC[C@@H](C)CNC(=O)[C@H](C)NC(N)=O)c(C#N)c[nH]1 1103934413 BMZZQVQHCIAQGO-KOLCDFICSA-N 318.381 -0.095 30 20 DBED Cc1cc(=NC[C@@H](C)CNC(=O)[C@@H]2CNC(=O)N2)c(C#N)c[nH]1 1104183096 BFWFIPVOGGQSOU-RNCFNFMXSA-N 316.365 -0.471 30 20 DBED CC#CCNCC[C@@H]1CN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C[C@H]1C 1104736342 VAKYUQGHFPXLEB-UPJWGTAASA-N 320.393 -0.318 30 20 DBED CC[C@H](C(=O)N1CC(n2cc(CNCC#N)nn2)C1)N(C)C 1105268808 ZXSWZJWEHJUMEF-CYBMUJFWSA-N 305.386 -0.385 30 20 DBED C#CCNC(=O)CC(=O)N(C)CCN(C)c1ccc(C#N)cn1 1105369215 UBGLGLKTRDMQFK-UHFFFAOYSA-N 313.361 -0.013 30 20 DBED CCC(=O)NCC(=O)NC[C@@H](O)CNc1ncc(C#N)cc1F 1105770596 AOQQPBBERZOWAZ-SNVBAGLBSA-N 323.328 -0.492 30 20 DBED Cc1cnccc1C(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1 1105811813 JANWSEVJBMAFTP-NSHDSACASA-N 312.333 -0.324 30 20 DBED Cc1cc(=NC[C@@H](O)CNC(=O)c2cn(C)nn2)c(C#N)c[nH]1 1105815917 NRUUPZCAURPBOC-LLVKDONJSA-N 315.337 -0.985 30 20 DBED N#Cc1cc(C(=O)NC[C@H](O)CNc2nccnc2C#N)c[nH]1 1105830444 COJPBAKBWWOPIH-LLVKDONJSA-N 311.305 -0.249 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)CCCCC(N)=O)nc1 1105958098 VMQLUZQBBFQRGV-GFCCVEGCSA-N 319.365 -0.112 30 20 DBED N#Cc1c(F)cccc1NC[C@@H](O)CNC(=O)Cn1ncnn1 1105975365 UHAIHXGWCRIHDJ-SECBINFHSA-N 319.300 -0.727 30 20 DBED CC(C)(C(N)=O)C(=O)NC/C=C\CNc1cnc(C#N)cn1 1107386276 GSYLBRVSFRJFMM-ARJAWSKDSA-N 302.338 -0.056 30 20 DBED CS(=O)(=O)CCC(=O)NC/C=C/CNc1cnc(C#N)cn1 1107577449 YPOSMCZTUJFVAY-NSCUHMNNSA-N 323.378 -0.133 30 20 DBED C[C@H](CNc1ccc(C#N)nn1)NC(=O)[C@H]1CN(C)CCO1 1107667351 UAPNRJRKZKLGKH-ZYHUDNBSSA-N 304.354 -0.405 30 20 DBED CC#CCN1CCO[C@](C)(CNC(=O)Cc2n[nH]c(C)n2)C1 1107934779 LLHTUQXDIJODRA-OAHLLOKOSA-N 305.382 -0.114 30 20 DBED C[C@H](CNc1ncccc1C#N)NC(=O)CN1CCOCC1=O 1108179431 ITTUVVXLLRZSBO-LLVKDONJSA-N 317.349 -0.271 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)CC2=O)C1 1108572102 MEPFEDMLKNODLK-XJKSGUPXSA-N 320.437 -0.393 30 20 DBED Cn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCC#N)cn1 1108910740 XGMLIQNYJIXQBG-AGIUHOORSA-N 316.365 -0.605 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CN(C)c1ncc(F)cn1 1108940651 GSIVVMCMVXCICC-JTQLQIEISA-N 307.329 -0.304 30 20 DBED CN(CCCN=c1cc[nH]c(C#N)n1)C(=O)c1cnn(C)n1 1109479057 RCHXWOXKPUUBLC-UHFFFAOYSA-N 300.326 -0.527 30 20 DBED N#Cc1cncc(NC2(CNC(=O)[C@H]3CCCNC3=O)CC2)n1 1110257241 HUAYTCNIWDUDGK-NSHDSACASA-N 314.349 -0.065 30 20 DBED CN1C[C@@H](C(=O)NCC2(Nc3cnc(C#N)cn3)CC2)CC1=O 1110380931 MKSATUGCQOWNJK-JTQLQIEISA-N 314.349 -0.113 30 20 DBED CNC(=O)CC(=O)N1CC[C@@H](N=c2cc[nH]c(C#N)n2)C[C@H]1C 1110512358 IAACOZLQURNNRQ-GHMZBOCLSA-N 316.365 -0.302 30 20 DBED C[C@]1(NC(=O)Cn2ncnn2)CCN(c2cnc(C#N)cn2)C1 1110786087 MVNLMGNHWKHFNA-ZDUSSCGKSA-N 313.325 -0.880 30 20 DBED Cc1ccc(C#N)c(NC2(CNC(=O)C(N)=O)CCOCC2)n1 1111000005 RPKQDNWGCKGICD-UHFFFAOYSA-N 317.349 -0.176 30 20 DBED CC[C@@H](OC)C(=O)NC[C@@]1(O)CCN(c2ccc(C#N)nn2)C1 1111043268 BIYTYLGVMADIFK-DOMZBBRYSA-N 319.365 -0.169 30 20 DBED COC[C@@H](C)C(=O)NC[C@]1(O)CCN(c2cncc(C#N)n2)C1 1111043505 GPZVMTDCNJXIPF-IAQYHMDHSA-N 319.365 -0.312 30 20 DBED C#CCOCCC(=O)NC[C@@]1(O)CCN(c2ncc(F)cn2)C1 1111097565 BWCDDFJGEGVWCO-HNNXBMFYSA-N 322.340 -0.287 30 20 DBED N#Cc1cncc(NCCN(CCO)C(=O)c2cnn[nH]2)n1 1111585761 LHAYYIZDTHXCOP-UHFFFAOYSA-N 302.298 -0.987 30 20 DBED C#CCCN1C[C@@H]2CCC[C@]2(NC(=O)CS(=O)(=O)NC)C1 1111988401 FOPHYJCMUJLRIT-JSGCOSHPSA-N 313.423 -0.470 30 20 DBED CC(=O)NCC(=O)N1C[C@H](C)[C@@H](Nc2cnc(C#N)cn2)C1 1112295230 HKTQPASPGXFALI-CABZTGNLSA-N 302.338 -0.257 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@H](OCC)C3CC3)[C@H]2C1 1114290875 PANHVOQGKQNVOG-BFJAYTPKSA-N 319.405 -0.403 30 20 DBED C[C@H](C#N)C(=O)NCC1[C@H]2CN(c3ccc4nnnn4n3)C[C@H]12 1114525242 JAAHXHJHISSKLF-FBIMIBRVSA-N 312.337 -0.523 30 20 DBED C=CCC(C)(C)C(=O)NC1[C@@H]2CN(CC(=O)NC(N)=O)C[C@@H]12 1114896974 TWOARPGVDLIXOV-NXEZZACHSA-N 308.382 -0.170 30 20 DBED C=CCN1C[C@H]2[C@H](NC(=O)CN(C)S(=O)(=O)CC)[C@H]2C1 1115051107 ZILCTRIUTHENSV-PJXYFTJBSA-N 301.412 -0.500 30 20 DBED C=C(C)COCCNC(=O)C(=O)N1C[C@H](OC)[C@H](OC)C1 1117604791 JANLSYLPUDVHLV-TXEJJXNPSA-N 300.355 -0.433 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@H](COC)C(C)C 1117630016 XPLUQKXOVCYWHB-LLVKDONJSA-N 320.411 -0.509 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N1CC[C@H](C(=O)N(C)C)C1 1118539528 SILPINVPUANZMW-ZDUSSCGKSA-N 323.393 -0.579 30 20 DBED N#CCNC1(CNC(=O)CC[C@H]2NC(=O)NC2=O)CCCCC1 1120109884 IVNLMDMMJYNJTN-LLVKDONJSA-N 321.381 -0.093 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)CC2OCCCO2)nn1 1121359183 FVXGXNQFXYPKFR-LLVKDONJSA-N 321.337 -0.610 30 20 DBED CN1CC[C@H](CC(=O)NC[C@H](CO)N=c2cc[nH]c(C#N)n2)C1 1121805876 FSUWNAROBPHQMN-VXGBXAGGSA-N 318.381 -0.999 30 20 DBED COC[C@@H](OC)C(=O)NC[C@H](CO)Nc1nc(C)cc(C#N)n1 1122464791 CCHCLONUUNVMFE-VXGBXAGGSA-N 323.353 -0.793 30 20 DBED Cc1c(C(=O)NC[C@H](CO)N=c2cc[nH]c(C#N)n2)ccn1C 1122495195 ZRBDTYVHNDNEHE-LLVKDONJSA-N 314.349 -0.380 30 20 DBED N#Cc1c[nH]ccc1=N[C@H](CO)CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 1122635761 KWUSALVHOJMAKB-JLNYLFASSA-N 316.361 -0.168 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)CCOCC 1124691970 XXPLSYJRCYZTKQ-UHFFFAOYSA-N 300.359 -0.869 30 20 DBED CN(C)C(=O)CC(=O)N(C)C[C@@H](O)CNc1cnc(C#N)cn1 1124797707 IBFZTFHRBKOUOU-NSHDSACASA-N 320.353 -0.942 30 20 DBED C[C@H](C#N)C(=O)NCCNCCCN1C(=O)NC(C)(C)C1=O 1124907847 ATKVRAULXCGCDQ-SNVBAGLBSA-N 309.370 -0.428 30 20 DBED C#CCNC(=O)CC(=O)NCCNCC(=O)N(CC=C)CC=C 1125997915 GWFWXVHSAPFXQW-UHFFFAOYSA-N 320.393 -0.968 30 20 DBED Cc1nn(C(C)(C)C)cc1C(=O)NCCNCC(=O)NCC#N 1127060670 DVMKIQMJKKOWPG-UHFFFAOYSA-N 320.397 -0.094 30 20 DBED CN(C)C(=O)CC(=O)N(C)C1CC(N=c2cc[nH]c(C#N)n2)C1 1127084519 GIUQXISSPFIDHO-UHFFFAOYSA-N 316.365 -0.350 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@H]1C[C@@H]2CCCCN2C1 1127255677 KQTISTTVGNIDRL-KBPBESRZSA-N 308.426 -0.131 30 20 DBED Cc1nc(CC2CC2)oc1C(=O)NCCNCC(=O)NCC#N 1127423504 YULYDKLSEDHCOV-UHFFFAOYSA-N 319.365 -0.105 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NCCNCC(=O)NC(=O)NC 1127604503 FAYAJEDCAMTBSO-MNOVXSKESA-N 312.370 -0.871 30 20 DBED N#CCNCc1nnc2n1CC[C@H](NC(=O)c1cnon1)CC2 1128049105 RIMDOKKFXRXXGI-SECBINFHSA-N 316.325 -0.591 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1nn2c(c1C)OCCC2 1128885950 ZTYOJTCPLHQQBF-UHFFFAOYSA-N 319.365 -0.957 30 20 DBED C=CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)CNC(=O)NC)C1 1129037890 DXTMSHDKNVBFST-NEPJUHHUSA-N 321.385 -0.875 30 20 DBED COCC#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H]2C[C@H]2C)C1 1129147625 ILFLASYMEFBYBO-TUVASFSCSA-N 317.393 -0.075 30 20 DBED C#CCCN[C@@H]1CN(C(=O)c2cccnn2)C[C@@H]1n1ccnn1 1130050038 FZGGBFYLBLDJLV-KGLIPLIRSA-N 311.349 -0.253 30 20 DBED CC#CCN1C[C@H]2C[C@H]3CN(C(=O)[C@@H](C)NC(C)=O)C[C@@]3(C1)O2 1131177089 DLCBCEMMFNVXET-DUFGSWQCSA-N 319.405 -0.164 30 20 DBED CC#CCN1C[C@@H](NC(=O)CNS(=O)(=O)CC)CC[C@H]1C 1132077430 HLHYCDMWCWQNGH-OLZOCXBDSA-N 315.439 -0.082 30 20 DBED CC#CCN1C[C@H](NC(=O)CCNS(C)(=O)=O)CC[C@H]1C 1132079149 UMADZPNADXSYNT-CHWSQXEVSA-N 315.439 -0.082 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)C1(c2cccnc2)CC1 1132750701 BGKXIMNWBWBALP-CYBMUJFWSA-N 314.389 -0.043 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)C[C@H](C)NCC(=O)N(C)CC 1134131024 PMUBXNDIUSBHKS-QWHCGFSZSA-N 324.425 -0.523 30 20 DBED COc1cccc(C(=O)NCCNCC(=O)NCC#N)c1C 1134387708 RHXLZZVAUPDREP-UHFFFAOYSA-N 304.350 -0.037 30 20 DBED CC(=O)N1CCCC[C@@H]1CC(=O)NCCNCC(=O)NCC#N 1135201795 OWEVYLOTSVWSGZ-CYBMUJFWSA-N 323.397 -0.877 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)Cc1ncc[nH]1 1135799219 TYOMEIGRZVXSFQ-NEPJUHHUSA-N 305.382 -0.426 30 20 DBED N#CCNC(=O)CNCCNC(=O)C[C@@H]1OCc2ccccc21 1149352838 XBLSQBVWUCHMBZ-AWEZNQCLSA-N 316.361 -0.006 30 20 DBED CN(CC(=O)NC[C@@H]1CN(CC#N)CCCO1)C(=O)C1CC1 1149817417 PEQBJKBNLQZDGG-CYBMUJFWSA-N 308.382 -0.415 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)c1nonc1C 1153577602 BTEJRLRKKXBCCQ-VIFPVBQESA-N 324.341 -0.902 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)CCn2cncn2)C1=O 1154696547 RBSVDQLDWDENOJ-ZDUSSCGKSA-N 320.397 -0.449 30 20 DBED C=CCN(CC=C)C(=O)CNCCCNC(=O)[C@H]1COC(=O)N1 1157369652 BCUBPFUBDQBQIE-GFCCVEGCSA-N 324.381 -0.609 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@H]1CCc2cncn2C1 1161309948 QKGUWIDBVMJTPV-ZDUSSCGKSA-N 319.409 -0.156 30 20 DBED C#CCN1CCC(CNC(=O)[C@]2(C)CCNC2=O)(COC)CC1 1162482274 MKVWPSDMBXAHQD-MRXNPFEDSA-N 321.421 -0.009 30 20 DBED CC[C@H](C(=O)NCCCNCC(=O)NCC#N)N(CC)CC 1166424369 FJGZLRUZCZUTJP-CYBMUJFWSA-N 311.430 -0.158 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)c2ccnnc2)C1=O 1167281002 UIEYWZCBOVLMNR-CYBMUJFWSA-N 303.366 -0.027 30 20 DBED C=CCn1cc(C(=O)NCCCNCc2cnnn2C)nn1 1167838283 BVYDCVQOFDUYOI-UHFFFAOYSA-N 304.358 -0.498 30 20 DBED C[C@H](CCCCNCC(=O)NCC#N)NC(=O)c1cn[nH]c1 1169377624 WZYJIROXKSHBCQ-LLVKDONJSA-N 306.370 -0.072 30 20 DBED C#CCNC(=O)CNCCCNC(=O)CCCC(=O)NCC 1171459570 SBBDEUUGCUJXIX-UHFFFAOYSA-N 310.398 -0.862 30 20 DBED C#CCNCCCC[C@@H](C)NC(=O)C1CC2(C1)NC(=O)NC2=O 1175663920 NHNFXZNZFBBMJV-OPGSHWCFSA-N 320.393 -0.128 30 20 DBED C=CCN1CCO[C@@H]2CCN(C(=O)CS(=O)(=O)NC)C[C@H]21 1177169818 FKXABSYLAOQJPW-VXGBXAGGSA-N 317.411 -0.977 30 20 DBED CCO[C@@H](C(=O)N1CC[C@@H](NCC(=O)NCC#N)C1)C(C)C 1182467197 XCWVPOFRSPZPMD-TZMCWYRMSA-N 310.398 -0.122 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CCCNC2=O)C1 1183450348 PWIXAMMABDWBGD-NEPJUHHUSA-N 308.382 -0.995 30 20 DBED N#CCNC(=O)CN1C[C@@H]2CCN(C(=O)C3CCOCC3)[C@@H]2C1 1186637633 YODZCUDKOAPRKZ-UONOGXRCSA-N 320.393 -0.415 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CN(Cc2cn(CC3CC3)nn2)C[C@H]1O 1191854994 UDGVXRULOJMUTM-ZLKJLUDKSA-N 318.381 -0.491 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN([C@H](C)c2nncn2C)C[C@H]1O 1192885748 GDHNYINYRSOWDP-JHJVBQTASA-N 321.381 -0.923 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(CCOCC2CC2)C[C@H]1O 1192898868 BAWBSLCBXJXNQB-NWANDNLSSA-N 310.394 -0.387 30 20 DBED C=CCCN(C)[C@H]1CCN(C(=O)Cn2nc(C)n(C)c2=O)C1 1193788056 WXCSYNUGCXIULP-ZDUSSCGKSA-N 307.398 -0.001 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC[C@H](N(C)CC(=O)NCC#N)C1 1194396370 BJXWJHNJWDFPKM-STQMWFEESA-N 308.382 -0.250 30 20 DBED N#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC=CCC2)C1 1195294048 IGZJNEMHDQVMJO-MGPQQGTHSA-N 320.393 -0.466 30 20 DBED CCc1ccoc1C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1O 1195882175 WGVLGWMRFCRKHR-VXGBXAGGSA-N 320.349 -0.743 30 20 DBED C#CCN1CCC(C(=O)N[C@@H]2CN(CCOCC)C[C@H]2O)CC1 1199029039 DCBVSGJDWDCFHC-HZPDHXFCSA-N 323.437 -0.471 30 20 DBED N#CCNC(=O)CNC1CCN(C(=O)C[C@H]2CCCO2)CC1 1199432251 VZULLMBSEWDXKC-CYBMUJFWSA-N 308.382 -0.224 30 20 DBED CCN(CCC#N)C(=O)CNC[C@H]1CN(C(C)=O)CCCO1 1199598881 ARFDNEIGBBLQJD-AWEZNQCLSA-N 310.398 -0.024 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)[C@H]2CCN(C)C2=O)CCCO1 1201204025 GLYQKKIJSPYOLZ-KGLIPLIRSA-N 307.394 -0.305 30 20 DBED C=CCOCCNCC1CCN(C(=O)Cn2ncnn2)CC1 1205297519 YRSJUASQVUKLAI-UHFFFAOYSA-N 308.386 -0.296 30 20 DBED N#CCNCC1CCN(C(=O)[C@H]2CCc3nnc(O)n3C2)CC1 1205549685 ZKXWBUSCVDMMOW-LBPRGKRZSA-N 318.381 -0.102 30 20 DBED COCC#CCNCC1CCN(C(=O)c2c[nH]c(=O)cn2)CC1 1206061371 JPVSXBOGOYWNBK-UHFFFAOYSA-N 318.377 -0.139 30 20 DBED C=CCNC(=O)[C@H](C)NCC1CCN(C(=O)c2nc[nH]n2)CC1 1206635051 GGJYHCYYFWDSSX-NSHDSACASA-N 320.397 -0.063 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)C2CN(C(C)=O)C2)[C@H](C)C1 1206899507 MSRRSQHCPOQPDJ-BXUZGUMPSA-N 322.409 -0.797 30 20 DBED C#CCNCC1CCN(C(=O)Cn2nc(C)n(C)c2=O)CC1 1206905625 GCSYSUBUOXIRKW-UHFFFAOYSA-N 305.382 -0.648 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H](NCCCN2C(=O)CNC2=O)C1 1207692429 HOXRVVWLEPJGPJ-VXGBXAGGSA-N 321.381 -0.331 30 20 DBED CCC[C@H](C(=O)N1CCC[C@H](NCC#N)C1)S(N)(=O)=O 1208756837 ALCZUUCLCGDETR-WDEREUQCSA-N 302.400 -0.452 30 20 DBED CC#CCN[C@H]1CCCN(C(=O)c2cnc(O)n(C)c2=O)C1 1208902567 WJOWYKWOAHHFEE-NSHDSACASA-N 304.350 -0.297 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 1209474318 GYJFTZZBGBIZLD-GOEBONIOSA-N 322.453 -0.097 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)c2cccnn2)[C@H](C)C1 1209672674 UKMYKLSBJGAMCA-DGCLKSJQSA-N 303.366 -0.171 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(CC#CCOC)C[C@H]1OC 1212258033 LZGOCUYVWBFRBU-RRFJBIMHSA-N 308.378 -0.510 30 20 DBED C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2C(F)F)C[C@H]1NCC(=O)NCC#N 1214548389 MWFZYJCNHZECJF-VPOLOUISSA-N 314.336 -0.036 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)c2cn(C)c(=O)n2C)C[C@H]1C 1216863481 FMOIXCYWPDEDJB-CHWSQXEVSA-N 320.393 -0.576 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CN(Cc2nnn(C(C)(C)C)n2)C[C@@H]1O 1219381478 SZRAGMCAEHJURO-AXFHLTTASA-N 321.385 -0.751 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(Cc2ccn(C)c(=O)c2)C[C@@H]1O 1219581712 SPTJMJNDZLQHHW-CABCVRRESA-N 317.389 -0.294 30 20 DBED CCCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)C#CC2CC2)C1 1219596257 LSPMFFPKTMCEMZ-BNOWGMLFSA-N 307.394 -0.524 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)[C@@H](C)NC(=O)COC)C1 1219682117 CBTOWCFGJIXLPB-MXWKQRLJSA-N 319.789 -0.949 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](NC(=O)CN(C)C(=O)C2CC2)C1 1219740712 GVRPCQKTPACONT-KGLIPLIRSA-N 309.410 -0.018 30 20 DBED C=C(C)C[C@@H](C)C(=O)N[C@@H]1CN(Cc2nnn(C)n2)C[C@@H]1O 1220201470 QYGVVUKBSPKYCE-UTUOFQBUSA-N 308.386 -0.526 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2cn(C)nc2C)C[C@@H]1O 1221143750 PGBZYQLQEHYYBW-YUELXQCFSA-N 322.409 -0.019 30 20 DBED CC#CCN1CC[C@@H]2CN(C(=O)CN(C)S(C)(=O)=O)[C@@H]2C1 1221590825 GJCHCRYSEKBAHB-CHWSQXEVSA-N 313.423 -0.566 30 20 DBED COC[C@@H](C)CC(=O)N1C[C@H]2CCN(CC(=O)NCC#N)C[C@H]21 1221908160 VLVWMMLBJYDIIY-BFHYXJOUSA-N 322.409 -0.169 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)c2cnc(C)[nH]2)CC1 1222615004 FAEPLFVYCUBITL-UHFFFAOYSA-N 317.393 -0.091 30 20 DBED C=CCOCC(=O)NCC1CCN(CC(=O)NC(N)=O)CC1 1222619449 RDWABJDAQUBDNG-UHFFFAOYSA-N 312.370 -0.788 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1CCN(CC(=O)NCC#N)CC1 1223174462 HNXUFLGAWDTEMT-ZDUSSCGKSA-N 320.393 -0.507 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)c2ccc(C)nn2)CC1 1227251495 FRJWIAZGTOBEAK-UHFFFAOYSA-N 315.377 -0.271 30 20 DBED N#CCN1CCS(=O)(=O)[C@H](CCNC(=O)[C@H]2CCOC2)C1 1230467326 JYRQDFODZYDAMX-NWDGAFQWSA-N 315.395 -0.848 30 20 DBED C#CCN(CCCNC(=O)[C@H]1CNC(=O)N1)Cc1cccnc1 1230829644 KOEQQLXDJLSTCA-CQSZACIVSA-N 315.377 -0.296 30 20 DBED N#CCN1CCC(NC(=O)C(=O)NC[C@H]2CCSC2)CC1 1258235260 XLAVLEVXZGMJAI-LLVKDONJSA-N 310.423 -0.040 30 20 DBED C#CC1CCN(C(=O)C(=O)N2C[C@@H]3CN(C(C)=O)C[C@@H]3C2)CC1 1262526924 UJMUBLUDPCYPGE-GASCZTMLSA-N 317.389 -0.205 30 20 DBED C#CCNC(=O)CCNC[C@H]1CCCC[C@@H]1NS(C)(=O)=O 1262573755 CGHJEJPBWSEFQO-OLZOCXBDSA-N 315.439 -0.177 30 20 DBED COC[C@H](O)CN1CCOC[C@@H]1CNC(=O)CSCC#N 1280397904 ZOUUYUVLGDRYIA-NWDGAFQWSA-N 317.411 -0.933 30 20 DBED CCS(=O)(=O)C[C@H](C)NC(=O)C(=O)N1CC[C@](F)(C#N)C1 1322762387 GHGDCZQMNYFLRN-CABZTGNLSA-N 319.358 -0.610 30 20 DBED CC(C)[C@H](CNC(=O)C(=O)NCCCC#N)N1CCOCC1 1323004857 HDRQMVXGKLWALC-ZDUSSCGKSA-N 310.398 -0.121 30 20 DBED N#C[C@@]1(F)CCN(C(=O)C(=O)NCCCN2CCCCC2=O)C1 1326462399 JQJJFZRCZBDBSC-HNNXBMFYSA-N 324.356 -0.031 30 20 DBED C#C[C@@H](NC(=O)C(=O)N1C[C@H](OC)[C@H](OC)C1)[C@H]1CCCO1 1327259708 UWWBROIJMDMOSU-LPWJVIDDSA-N 310.350 -0.844 30 20 DBED O=C(NCC#Cc1ccccc1)C(=O)NCCN1CCCC1=O 1328902157 IFJRXLAVDWLFCG-UHFFFAOYSA-N 313.357 -0.107 30 20 DBED C[C@@H]1CN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CC[C@H]1O 1329511715 VAPLQLFKOJZUTO-KWCYVHTRSA-N 320.393 -0.586 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)NCCn2cccc2)CCN1C1CC1 1329995669 MVYHWDOXSIOMKS-AWEZNQCLSA-N 315.377 -0.197 30 20 DBED CC(C)(C)c1nnc2n1CCN(C(=O)NCC(=O)NCC#N)C2 1333751657 APPYOMFDPHHUHO-UHFFFAOYSA-N 319.369 -0.259 30 20 DBED C#CCN(CC1CC1)C(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1 1335566268 CXGACWWXTCBKGO-NSHDSACASA-N 324.406 -0.041 30 20 DBED C=C(C)CN(C)c1nnc(-c2cn(C)c(=O)n(C)c2=O)n1C 1338453242 RIBCFKFFTKMRIX-UHFFFAOYSA-N 304.354 -0.108 30 20 DBED C=CCS(=O)(=O)CCn1nnnc1N1CCC[C@@H](OC)C1 1344096201 USIWSFCMYMYTPK-LLVKDONJSA-N 315.399 -0.111 30 20 DBED C=CCOCCNC(=O)C(=O)N[C@@H]1C[C@@H]2CCCCN2C1=O 1350858543 DSEHFHNRVJROPG-NWDGAFQWSA-N 309.366 -0.425 30 20 DBED N#Cc1cn(CC(=O)N[C@@H](CO)C2CCCCC2)c(=O)nc1O 1362362298 RBGQIWMCCLFVHN-LBPRGKRZSA-N 320.349 -0.122 30 20 DBED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 1362461755 IIMDCOBKJRMINA-VLEAKVRGSA-N 322.365 -0.017 30 20 DBED Cn1c(=O)[nH]c(N2CC(C)(C)O[C@]3(CCOC3)C2)c(C#N)c1=O 1363729878 IVKYQESHZAOAKD-OAHLLOKOSA-N 320.349 -0.280 30 20 DBED CCS(=O)(=O)NCCN1CCC(C#N)(C(=O)OC)CC1 1364412579 SPEGEBWBACONFL-UHFFFAOYSA-N 303.384 -0.296 30 20 DBED CO[C@H](CNC(=O)NCCn1cc(C#N)c(O)nc1=O)C(C)C 1364549235 CZCIQHYLFDLZLL-LLVKDONJSA-N 323.353 -0.209 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](C)CNC(=O)c1ccc2nn[nH]c2n1 1372922513 PZNMUDCGBUNFKR-JGVFFNPUSA-N 301.310 -0.253 30 20 DBED CCCN(CCNC(=O)[C@@H]1CN(C)CCO1)C(=O)[C@H](C)C#N 1374111212 YCINTHWBMLSFRL-OLZOCXBDSA-N 310.398 -0.169 30 20 DBED CC[C@@H](CNC(=O)c1cccn2nnnc12)NC(=O)[C@@H](C)C#N 1375095670 HTAJKOBUUQDSNO-UWVGGRQHSA-N 315.337 -0.091 30 20 DBED C[C@H](C#N)C(=O)NCCN(C(=O)CN1CCCC1=O)C1CC1 1388678714 NOPSLSJEKKQKEF-LLVKDONJSA-N 306.366 -0.124 30 20 DBED COCCN(CCNC(=O)[C@@H](C)C#N)[C@@H]1CCCN(C)C1=O 1394830278 RPYPFMUXQJOXAV-QWHCGFSZSA-N 310.398 -0.169 30 20 DBED CC(C)(C)OC(=O)[C@H]1CS(=O)(=O)CCN1C[C@H](O)CC#N 1412995965 RAUOCWXDWNVNLK-GHMZBOCLSA-N 318.395 -0.298 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@@H](CNC(=O)CCn2ccnn2)C1 1414186405 SDCBTQSBPLJQCX-UTUOFQBUSA-N 304.354 -0.161 30 20 DBED C[C@H](CNC(=O)[C@H]1CCC(=O)N1)NC(=O)c1cc(C#N)c[nH]1 1416798762 PVEXQPDGIWLEJX-PSASIEDQSA-N 303.322 -0.601 30 20 DBED CC[C@H]1CC[C@H](C(=O)NCCn2cc(C#N)c(O)nc2=O)O1 1418535860 DKKDOQYBOUKGBB-WDEREUQCSA-N 306.322 -0.106 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNCC1CCS(=O)(=O)CC1 1422263994 JCGWEVMHNRBHAK-ZYHUDNBSSA-N 317.411 -0.962 30 20 DBED C[C@H](C#N)C(=O)N1CC([C@@H](C)NC(=O)C2(NC(N)=O)CC2)C1 1443216202 WUIMFKUYFYHSHR-RKDXNWHRSA-N 307.354 -0.690 30 20 DBED N#Cc1ccc(NCC(=O)NC[C@H](O)Cn2ccnn2)cc1 1451062328 JKUFAKRTKGEEKK-ZDUSSCGKSA-N 300.322 -0.261 30 20 DBED C[C@@H](CNC(=O)Cc1nc[nH]n1)NC(=O)c1ccc(C#N)[nH]1 1452771092 JBURNHXLBDFAOH-QMMMGPOBSA-N 301.310 -0.518 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)N2C[C@@H](CO)[C@H](CO)C2)cc1 1454050169 XIABUWVTQBFQLI-KBPBESRZSA-N 317.345 -0.653 30 20 DBED COC[C@@H](OC)C(=O)NC1CN(C(=O)c2c[nH]c(C#N)c2)C1 1456411634 PYVLIISYJRDMPI-GFCCVEGCSA-N 306.322 -0.512 30 20 DBED C[C@@H](C#N)C(=O)NCCN1CCN([C@H](C)C(=O)NC2CC2)CC1 1479928178 HNQNADXADLAIRZ-QWHCGFSZSA-N 321.425 -0.453 30 20 DBED C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)N(C)C(=O)[C@@H]1COCCO1 1486835229 NUFJTWUUOFJTBH-GWCFXTLKSA-N 320.349 -0.122 30 20 DBED CNC(=O)NCC(=O)NCC(C)(C)CN(C)C(=O)[C@H](C)C#N 1508690761 OCLHLJXHYMPNEL-SNVBAGLBSA-N 311.386 -0.324 30 20 DBED CCc1ncoc1C(=O)N(C)C[C@@H](O)CNC(=O)[C@@H](C)C#N 1511617662 XBVBSLFQRYNSED-UWVGGRQHSA-N 308.338 -0.054 30 20 DBED C[C@@]1(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[nH]2)CCC(=O)NC1 1575614750 OTVXEKSFIZKSFW-GFCCVEGCSA-N 315.297 -0.684 30 20 DBED C#CCO[C@H](C)C(=O)N(C)CCCN=c1cc[nH]c(C(=O)O)n1 1588490744 XKVNIQYYRPECAH-LLVKDONJSA-N 320.349 -0.105 30 20 DBED C=CCNC(=O)Cn1cc2c(c(-c3nn[nH]n3)c1=O)CCC2 1588658229 CMAZOVPYCDVGGH-UHFFFAOYSA-N 300.322 -0.181 30 20 DBED C=CCNC(=O)CNS(=O)(=O)c1cccc(CC(=O)O)c1 1588844702 OZVSNFQSASWOAK-UHFFFAOYSA-N 312.347 -0.106 30 20 DBED C[C@](C#N)(NC(=O)COc1cnc(-c2nn[nH]n2)nc1)C1CC1 1588924358 LABVIOZROUPUNX-CYBMUJFWSA-N 314.309 -0.156 30 20 DBED CCO[C@H](CNc1cnc(-c2nn[nH]n2)c(C#N)n1)CN(C)C 1590786232 WDCKPEWYKKYLJD-SECBINFHSA-N 317.357 -0.093 30 20 DBED CC(C)C[C@@H](NC(=O)Cn1c(=O)c(C#N)cn(C)c1=O)C(=O)O 1591178687 SVIQSRCUHZGOAO-SNVBAGLBSA-N 322.321 -0.966 30 20 DBED N#Cc1nc(=N[C@H]2C[C@H](CNC(=O)[C@H]3C[C@H]3C(=O)O)C2)cc[nH]1 1601134046 FNWKPTWQOFIVQJ-XWLWVQCSSA-N 315.333 -0.202 30 20 DBED C#CCN(CC(=O)O)C(=O)C(=O)Nc1cccc2c1OCCO2 1602679432 PZSGZIZFGBJHEM-UHFFFAOYSA-N 318.285 -0.057 30 20 DBED C#C[C@H](C)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[nH]n1 1602689653 JWPQWUKIWLXZPT-QMMMGPOBSA-N 317.357 -0.232 30 20 DBED C=C(C)C(C)(C)C(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]2C(=O)O)C1 1602744857 PFUMHCLGGXGYAA-GHMZBOCLSA-N 324.377 -0.001 30 20 DBED CN(CC(C)(C)C#N)C(=O)C(=O)N1C[C@H](O)C[C@@H](C(=O)O)C1 1606088951 SSOUPGHVVKFCIN-NXEZZACHSA-N 311.338 -0.711 30 20 DBED C#CCN[C@@H](CNC(=O)CCC(=O)N1CCOCC1)C1CC1 1752493210 AGIMIXCVOCFWFU-AWEZNQCLSA-N 307.394 -0.257 30 20 DBED CC(=O)NCCOCCN[C@H]1C[C@@H](NC(=O)C#CC2CC2)C1 1752725499 FWMBIINWENCBAM-GASCZTMLSA-N 307.394 -0.211 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@@H]1CCN(C(=O)c2cn(C)cn2)C1 1752933520 GBTSXENYUYEBQK-OLZOCXBDSA-N 317.393 -0.390 30 20 DBED COCC#CCN[C@H](C)CCNC(=O)CN1C(=O)CCC1=O 1753019763 OFVNQSXLPXPYTK-GFCCVEGCSA-N 309.366 -0.730 30 20 DBED C=CCN1CC[C@H](NCCN(C)C(=O)c2[nH]c(O)nc2C)C1=O 1753200795 XOPFMCNUBXNCKM-NSHDSACASA-N 321.381 -0.128 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC(NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 1753383356 XPNGLCFBZNBFIZ-PAPYEOQZSA-N 319.405 -0.260 30 20 DBED C=CCNC(=O)[C@H](C)N1CC(NC(=O)C(C)(C)NC(C)=O)C1 1753390385 ZYCHNOOIOHDLMF-JTQLQIEISA-N 310.398 -0.608 30 20 DBED CCN(C(=O)c1nc(C)c[nH]1)[C@H]1CCN(CC(=O)NCC#N)C1 1753459753 SSWQLPVAJFBAOT-LBPRGKRZSA-N 318.381 -0.106 30 20 DBED C#CCNC(=O)CN[C@@H](CC)CNC(=O)C1(F)CCOCC1 1753475461 RFAKXTVUWRNESL-LBPRGKRZSA-N 313.373 -0.261 30 20 DBED C#CCCN[C@H](CNC(=O)Cn1ccc(=O)n(C)c1=O)C(C)C 1753829915 DFCZDODOXKZWQU-CYBMUJFWSA-N 320.393 -0.699 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H](CNC(=O)c1cnn(C)n1)C(C)C 1753838599 DBNKZUFDEMYTPF-NEPJUHHUSA-N 320.397 -0.703 30 20 DBED C#CCN[C@H](CNC(=O)C[C@@]1(C)CCS(=O)(=O)N1)C(C)C 1753843376 IABCPRIWNFLNBU-TZMCWYRMSA-N 315.439 -0.178 30 20 DBED C#CCCNC[C@@H](O)CNC(=O)[C@@H]1CCc2nnc(C)n2C1 1753937543 PIERRNRPYCJWIQ-CHWSQXEVSA-N 305.382 -0.761 30 20 DBED C#CCNC(=O)CNC/C=C/CNC(=O)c1cnn(C)c1C 1754106294 AUXZAFGWSDSCAN-AATRIKPKSA-N 303.366 -0.646 30 20 DBED Cc1cc(CC(=O)N(C)C2CN(CC(=O)NCC#N)C2)no1 1754571729 HEGXLSMMULRLEA-UHFFFAOYSA-N 305.338 -0.692 30 20 DBED C=CCCOCC(=O)NCC1(O)CN(Cc2cn(C)nn2)C1 1754781642 XARFMXIFPDWQIP-UHFFFAOYSA-N 309.370 -0.929 30 20 DBED C=C(C)CN1CCC[C@@](CO)(NC(=O)C[C@@H]2NC(=O)NC2=O)C1 1754856675 OXQSPLOQDWZPOE-XHDPSFHLSA-N 324.381 -0.896 30 20 DBED C#CCCNCCN(CCO)C(=O)[C@H]1CCCc2nn[nH]c21 1754890193 KKMMNJRIEMSVAZ-LBPRGKRZSA-N 305.382 -0.342 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)CNC(=O)CCC(C)C 1754972630 MJRJQBHQZNPDLL-CQSZACIVSA-N 309.410 -0.011 30 20 DBED CC(C)C#CC(=O)N1CCO[C@@H](CNCCNC(=O)C2CC2)C1 1755002716 XDRGDVGGRPOJJQ-HNNXBMFYSA-N 321.421 -0.011 30 20 DBED C=C(C)CCN(C)[C@@H](C)CNC(=O)CN1C(=O)C(=O)N(C)C1=O 1755318396 BKIHEDSCBMSRAN-NSHDSACASA-N 324.381 -0.190 30 20 DBED N#CCN1CC(CCO)(NC(=O)[C@@H]2COc3ccccc3O2)C1 1755338210 LYOQNVCADRQOER-AWEZNQCLSA-N 317.345 -0.097 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H](C)C1CN(Cc2nc(O)n[nH]2)C1 1755376896 LXNQEUYGXKGXQR-VHSXEESVSA-N 307.354 -0.515 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@H](CO)NC(=O)c1cccnc1C 1756515975 SHFYZCOGEBOJCU-LRDDRELGSA-N 321.377 -0.076 30 20 DBED C=CCCC(=O)N1C[C@@H](NC(=O)c2cn(C)nn2)[C@H](OC)C1 1757126617 FWZNUYXICLWJOF-ZYHUDNBSSA-N 307.354 -0.263 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(C)nc1 1794555808 HBLPNJZHNMJJFB-AGGWBTHJSA-N 314.345 -0.379 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)OCC=C)C2 1800450883 QLYPITPPAXZAMQ-XPCVCDNBSA-N 306.362 -0.200 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)N(C)C(C)=O)C2 1800452326 XKPQDSUSAPUBMM-DNVSUFBTSA-N 321.377 -0.924 30 20 DBED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)COC)CCO2 1834978735 PFGXPCXIAISFGF-OAHLLOKOSA-N 312.366 -0.335 30 20 DBED N#CC1(C(=O)N2CCCC23CN(C(=O)COCCO)C3)CCC1 1846976051 UNZAOMQQGMBKSB-UHFFFAOYSA-N 321.377 -0.107 30 20 DBED N#Cc1c(F)cccc1S(=O)(=O)N1CCN(CCO)CC1 70394264 MLGFXCOHKYBMDS-UHFFFAOYSA-N 313.354 -0.004 30 20 DBED C[C@@H](C#N)S(=O)(=O)NCCc1ccc(S(N)(=O)=O)cc1 88477373 CUEBDZVHRBRBKT-VIFPVBQESA-N 317.392 -0.292 30 20 DBED COCCN1CCN(CC(=O)N[C@](C)(C#N)C2CC2)CC1=O 91832021 BYFHTRWHEMHMTI-OAHLLOKOSA-N 308.382 -0.415 30 20 DBED COCCN1CCN([C@H](C(N)=O)c2ccc(C#N)cc2)CC1=O 91835473 XUHQLJAIOWJNKF-HNNXBMFYSA-N 316.361 -0.125 30 20 DBED C[C@@H](O)C(=O)N1CCN([C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 153002439 RRHMXNFITGDHCE-BXUZGUMPSA-N 316.361 -0.390 30 20 DBED C/N=C(/NC[C@@H]1CN(C)CCO1)NC[C@](C)(O)c1ccco1 262300270 AHDBRPJGPGQPIY-DOMZBBRYSA-N 310.398 -0.017 30 20 DBED C=C(C)C/N=C(/NCC(=O)N(C)C)N1CCN2C(=O)CC[C@@H]2C1 262328704 UNSUETCKKUTZTC-CYBMUJFWSA-N 321.425 -0.097 30 20 DBED CN1C(=O)C(=O)N(CC(=O)N(CCC#N)CC(F)(F)F)C1=O 267124425 BFOGMHPDEIQZDO-UHFFFAOYSA-N 320.227 -0.288 30 20 DBED COCCNC(=O)CN1CCN(c2ccc(C#N)cn2)CC1 291692109 TUMZKZNAXGKYTD-UHFFFAOYSA-N 303.366 -0.162 30 20 DBED CCOC(=O)CO/N=C(/C(=O)N1CCOC[C@@H]1C)c1cc[nH]n1 296385741 IEYBPFSFBSDSTI-DLPJZNJTSA-N 324.337 -0.059 30 20 DBED O=S1(=O)C[C@@H](N2CCOCC2)[C@@H](/N=C(/O)[C@@H]2CCCO2)C1 328959480 PBBHZAWOFKNYDD-TUAOUCFPSA-N 318.395 -0.380 30 20 DBED CN1CCC[C@@H]1C/N=C(/O)N(C)[C@@H]1CCN(S(C)(=O)=O)C1 330122909 AMAWOSVPCBTZMX-VXGBXAGGSA-N 318.443 -0.040 30 20 DBED CNS(=O)(=O)CC/N=C(/O)NCc1ncnn1C(C)(C)C 330406422 WREQOAANGVXSTM-UHFFFAOYSA-N 318.403 -0.414 30 20 DBED CCN(C)C(=O)[C@@H]1CSCN1C(=O)Cn1cnc(C#N)n1 331155924 PMNCEDBLFILGHT-VIFPVBQESA-N 308.367 -0.470 30 20 DBED CCN(CCO)CCNS(=O)(=O)N(CC)C[C@@H](C)C#N 336897684 UDBXSGTYAJICGI-LBPRGKRZSA-N 306.432 -0.383 30 20 DBED C=CCNC(=O)NC(=O)CN1CCC[C@H](n2cc(CO)nn2)C1 339412450 OJDGEGMXKHOHQO-LBPRGKRZSA-N 322.369 -0.581 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N[C@H]1CCc2nc(C)nn2C1 341633741 CQBMYINJYXEYQH-LBPRGKRZSA-N 321.381 -0.321 30 20 DBED CCC[C@@]1(CO)CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)C1 341960752 RRQWDKOXUBQCOH-CHWSQXEVSA-N 317.411 -0.060 30 20 DBED CCS(=O)(=O)c1ccccc1C(=O)NCC(=O)NCC#N 344150196 HTLRNPGPRGBSSI-UHFFFAOYSA-N 309.347 -0.150 30 20 DBED CCN1C[C@H](C(=O)N(CCC#N)CCN2CCOCC2)CC1=O 346790119 NQLCQDJYFKOZNZ-CQSZACIVSA-N 322.409 -0.071 30 20 DBED C[C@H]1CN(CCCNC(=O)NCC(=O)NCC#N)CCCO1 358306505 FLNILNMGRITCAX-LBPRGKRZSA-N 311.386 -0.574 30 20 DBED CC[C@H]1CN(C(=O)NCC(=O)NCC#N)C[C@@H](C)S1(=O)=O 362110475 DBAHDOZMDZLLFV-ZJUUUORDSA-N 316.383 -0.767 30 20 DBED C[C@@H](CC#N)NC(=O)Cn1ccc2c(=O)n(C)c(=O)n(C)c21 362598674 ISRPOGWWJFMGSC-VIFPVBQESA-N 303.322 -0.543 30 20 DBED N#Cc1ccccc1S(=O)(=O)N1CC[C@H]2OCC(=O)N[C@@H]2C1 373777406 LNIPQXCMCDTPIK-VXGBXAGGSA-N 321.358 -0.164 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N[C@@H]1CCC(=O)N(C)C1=O 425224684 ONSBJCUUMFGCLZ-DTWKUNHWSA-N 302.356 -0.798 30 20 DBED COC(=O)[C@H]1CCN(C(=O)NCC(=O)NCC#N)[C@H]1C(C)C 491002701 LBNJVZCRXNNUGF-JQWIXIFHSA-N 310.354 -0.145 30 20 DBED C#C[C@@H](NC(=O)N1CCC(NS(=O)(=O)NC)CC1)C(C)C 491264953 IYBLVRJORVIULO-GFCCVEGCSA-N 316.427 -0.128 30 20 DBED C#CCn1ccc(CN(CC)C(=O)C(=O)NCCCC(=O)O)n1 491672227 SYYJJVKUSWYNRW-UHFFFAOYSA-N 320.349 -0.154 30 20 DBED N#CCNC(=O)CNC(=O)N[C@@H]1CCN(CC(F)(F)F)C1 553658214 QUPPXYIIBAEWNZ-MRVPVSSYSA-N 307.276 -0.438 30 20 DBED N#Cc1ccc(CN2CCN(C(=O)C(=O)NC3CC3)CC2)nc1 562383274 YWEAVFPQTPKUCL-UHFFFAOYSA-N 313.361 -0.124 30 20 DBED CNCCN(C)C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 576161184 RJIKKTNLZRBGJK-UHFFFAOYSA-N 310.379 -0.486 30 20 DBED N#CC1(CNC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)CC1 584507926 UPFQEIAGOTZLOQ-CNVPUSNMSA-N 303.318 -0.431 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)NCC[C@@]1(O)CCCOC1 593660594 LOMMKGHWARYKAP-NEPJUHHUSA-N 305.400 -0.156 30 20 DBED C[C@@H]1C[C@@H](C)N(c2c(C#N)c(=O)n(C)c(=O)n2C)C[C@H]1CN 596014889 VWXRBNKTXXVUPD-GMTAPVOTSA-N 305.382 -0.235 30 20 DBED CNS(=O)(=O)N1CCN(C[C@H](O)CC(C)(C)C#N)CC1 598617594 UBCKUISLBBRQHQ-LLVKDONJSA-N 304.416 -0.631 30 20 DBED Cn1c(=O)c2c(ncn2C[C@H](O)CC(C)(C)C#N)n(C)c1=O 598699715 ICKSMXJBPMRMBA-SECBINFHSA-N 305.338 -0.266 30 20 DBED CC#CC[C@@H](CO)NC(=O)N[C@@H](CC)C(=O)N1CCOCC1 645351996 IXGLACLUJNPIBH-STQMWFEESA-N 311.382 -0.303 30 20 DBED CC#CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(C(N)=O)c(C)c1 646953009 QWPHEAHMCJRPMY-LBPRGKRZSA-N 317.345 -0.077 30 20 DBED C#CCCN1CCN(C(=O)CNC(=O)c2ccncc2)CC1 744366478 RONQOWKSOBTGEQ-UHFFFAOYSA-N 300.362 -0.021 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)[C@@]1(C)CCN(C(C)=O)C1 747093107 UCLGPYSPBDMWEK-AWEZNQCLSA-N 311.338 -0.200 30 20 DBED CNS(=O)(=O)[C@H]1CCN(Cn2ccc(C)c(C#N)c2=O)C1 758238762 KIHHMDPHFBCMDH-NSHDSACASA-N 310.379 -0.391 30 20 DBED COC[C@@H](NS(=O)(=O)c1c(F)cc(C#N)cc1F)C(N)=O 758480754 HAMFJVAVGVVGLN-SECBINFHSA-N 319.289 -0.385 30 20 DBED COCC#CCOC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 762765565 PKNYNEAPKQNZCD-UHFFFAOYSA-N 310.331 -0.323 30 20 DBED C=C(CN(C)C)C(=O)N1CCN(c2ncccc2C(N)=O)CC1 764459939 CRZIRKCXKDOFEF-UHFFFAOYSA-N 317.393 -0.053 30 20 DBED C#C[C@@H](NC(=O)c1cn(Cc2noc(C)n2)nn1)[C@H]1CCCO1 784892529 HFDJVQLLDJNPNB-ZYHUDNBSSA-N 316.321 -0.072 30 20 DBED C#C[C@H](CCC)NC(=O)N1CCN(S(=O)(=O)N(C)C)CC1 791060155 ZTWCSXDJLZQEET-GFCCVEGCSA-N 316.427 -0.078 30 20 DBED N#CCNC(=O)COC(=O)[C@@H]1COCCN1CC(F)(F)F 801345723 KMBQPTJZPKFIHU-QMMMGPOBSA-N 309.244 -0.568 30 20 DBED C=CCC1(S(=O)(=O)NC(=O)Cn2cnc([N+](=O)[O-])n2)CC1 810985863 UDMMSLQFXPFFIN-UHFFFAOYSA-N 315.311 -0.259 30 20 DBED C[C@H](OC(=O)CCn1ncn(C)c1=O)C(=O)NC1(C#N)CCC1 815270706 NRIIRSVIOLZWAF-JTQLQIEISA-N 321.337 -0.534 30 20 DBED C#CCC[C@@H](O)CNC(=O)c1nnn(-c2ccn(C)n2)c1C 816567400 ZRDUAGKLDCGEBR-LLVKDONJSA-N 302.338 -0.187 30 20 DBED CCOC(=O)COCCn1c(N)nc(-c2nn[nH]n2)c1C#N 821330770 REVDXQYADJNCRE-UHFFFAOYSA-N 306.286 -0.903 30 20 DBED CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)NCC#CCO 822724160 BFTMVMNOKCBAON-GFCCVEGCSA-N 311.382 -0.351 30 20 DBED C/N=C(/NCCN1CCOCC1)NCC1([S@@](C)=O)CC1 849026456 BPKQPBFOZRHSOX-HXUWFJFHSA-N 302.444 -0.605 30 20 DBED C#C[C@H](NC(=O)C(=O)N1C[C@@H]2CCC[C@]2(N)C1)[C@H]1CCCO1 857102865 UMXKKKKFRVIMLY-JFILPPLUSA-N 305.378 -0.377 30 20 DBED COC(=O)[C@H]1CC[C@H](C(=O)OC)N(CC(=O)NCCC#N)C1 859597031 LAOCVCQWNOVSTF-WDEREUQCSA-N 311.338 -0.557 30 20 DBED CC[C@@H]1COCCN1CCNc1c(C#N)c(=O)n(C)c(=O)n1C 872772106 QKGPRUQEUMYNIL-LLVKDONJSA-N 321.381 -0.522 30 20 DBED C[C@]1(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)C[C@@H](O)CN1 911637902 YANKDRAXRPNZOF-CZUORRHYSA-N 315.377 -0.285 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C2CN(Cc3ccnn3C)C2)CC1 941347910 GQGZFAMFOZCOJT-CYBMUJFWSA-N 316.409 -0.092 30 20 DBED C[C@@H](C#N)C(=O)N1CCCN(C(=O)[C@H]2CN(C)C(=O)N2)CC1 941834887 RQYIDIVPUBOPRW-WDEREUQCSA-N 307.354 -0.769 30 20 DBED CCN(C(=O)[C@H]1COC(=O)N1)[C@@H]1CCN(C(=O)C#CC2CC2)C1 942767916 DZMVLBYBACYTHD-CHWSQXEVSA-N 319.361 -0.042 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2CCN(CC(N)=O)C[C@@H]2C)nc1 944193563 XOZZRYXYFLHAGF-AAEUAGOBSA-N 300.362 -0.012 30 20 DBED N#CCN1CCC2(CC1)CN(C(=O)[C@@H]1CC[C@H]1C(N)=O)CCO2 949154109 PEDOMXTUIPVRBF-CHWSQXEVSA-N 320.393 -0.285 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)c1cnn(C)n1)CCO2 949209686 PALGGYUYOLMWOK-UHFFFAOYSA-N 303.366 -0.245 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2CCN2C(=O)c2cn[nH]c2)nn1 950053704 ZNTRSBAQVMJJHC-NSHDSACASA-N 315.337 -0.168 30 20 DBED C[C@@H](C#N)C(=O)N1CC(N(C)C(=O)C[C@@H]2CCN(C)C2=O)C1 954532380 CJMQHOUSDVTLGM-QWRGUYRKSA-N 306.366 -0.316 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cnc3[nH]c(O)nc3c2)C1 958195853 LMLSUCRPUZEJJQ-CMPLNLGQSA-N 315.333 -0.681 30 20 DBED CC#CCN1C[C@@H](O)[C@@H](CNC(=O)c2ccnc(OC)n2)C1 958248387 IJDABTOBAWVMFP-WCQYABFASA-N 304.350 -0.469 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CCC(=O)N1 968675399 FSZVDNAUJARYKV-WISYIIOYSA-N 304.350 -0.374 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1COCCN1C 968868340 YLTLHQIZAVZSPO-MQYQWHSLSA-N 320.393 -0.322 30 20 DBED C#CCN[C@@H]1CCN(C(=O)c2c3n(c(=O)n2C)CCCC3)C1 969964086 BQPRAQPPIXNAPU-GFCCVEGCSA-N 302.378 -0.040 30 20 DBED CCN1CCOC[C@@H]1C(=O)N1CC[C@@]2(CN(CC#N)CCO2)C1 972441336 RGDBTXGRIVVIFN-GDBMZVCRSA-N 322.409 -0.466 30 20 DBED C#Cc1ccc(C(=O)N(C)C[C@@H]2CCN2C(=O)C(N)=O)cn1 978097159 LOQNDMUFNGIUJG-LBPRGKRZSA-N 300.318 -0.779 30 20 DBED C#CCCN1CCCC2(C1)CN(C(=O)Cn1ncn(C)c1=O)C2 981861162 DVUCEXFPVJMDLC-UHFFFAOYSA-N 317.393 -0.471 30 20 DBED C#Cc1ccc(C(=O)N2CC(NC(=O)Cc3cc[nH]n3)C2)cn1 990592949 WKDYOBGAFBTGSV-UHFFFAOYSA-N 309.329 -0.031 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)C(F)F)C[C@H]2O)[nH]1 991397951 DJBXBEKBQOAGDP-PSASIEDQSA-N 312.276 -0.157 30 20 DBED N#CCNC1CCN(C(=O)CN2CCCS2(=O)=O)CC1 996646220 REDWYDLCNHXJFX-UHFFFAOYSA-N 300.384 -0.874 30 20 DBED C#CCOc1ncccc1C(=O)NC1CN(C(=O)COC)C1 997067552 YZJVTMNRIVLDJR-UHFFFAOYSA-N 303.318 -0.319 30 20 DBED C=CCCn1cc(C(=O)N2CCC(NCC(N)=O)CC2)nn1 997090169 RBAUKZLSKFORCF-UHFFFAOYSA-N 306.370 -0.466 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CCC(=O)N2)C1 997119586 WUCGGMHYPFBNTC-WOPDTQHZSA-N 307.350 -0.817 30 20 DBED C#CCNC1CC(N(C)C(=O)c2coc(S(N)(=O)=O)c2)C1 999005017 NDRJEIWIANLKEW-UHFFFAOYSA-N 311.363 -0.247 30 20 DBED C#CCN1CC[C@H](n2cc(CNC(=O)C3=COCCO3)nn2)C1 999937288 HJRFUGQCHFRQRV-ZDUSSCGKSA-N 317.349 -0.338 30 20 DBED C#CCN1CC[C@H](n2cc(CNC(=O)c3nc[nH]n3)nn2)C1 1000030008 PQPUHRWQEYQLKS-NSHDSACASA-N 300.326 -0.794 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(NC(=O)Cc2nc[nH]n2)C1 1000202117 RXICDGYOFTWKBL-NEPJUHHUSA-N 319.365 -0.345 30 20 DBED C[C@H](NC(=O)C1CS(=O)(=O)C1)C1CN(C(=O)C#CC2CC2)C1 1006146867 VQBFAKKXCPCSNX-JTQLQIEISA-N 324.402 -0.593 30 20 DBED C[C@H](C#N)C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cc1nc[nH]n1 1006495663 UOFTWQZDJKFMMA-DBIOUOCHSA-N 302.338 -0.245 30 20 DBED Cc1nc(CC(=O)NC2[C@H]3CN(C(=O)C#CC4CC4)C[C@H]23)n[nH]1 1013062427 DGGNKALLVZOVKE-RYUDHWBXSA-N 313.361 -0.358 30 20 DBED C#CCCN1C[C@@H]2CC[C@H](C1)N2C(=O)c1cn(C)c(=O)nc1O 1018263366 ICSYPQKDFGQTCQ-TXEJJXNPSA-N 316.361 -0.202 30 20 DBED C=C(Cl)CN[C@H]1CCN(C(=O)CN2C(=O)CN(C)C2=O)C1 1019748090 PLIIOPKTVCPCEI-JTQLQIEISA-N 314.773 -0.177 30 20 DBED C#CCN1CC[C@H]2[C@@H](CCCN2C(=O)CN2CCOCC2=O)C1 1021605134 KIZJJBZTDNCVNC-GJZGRUSLSA-N 319.405 -0.209 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn(CC)nn2)C1 1025410713 GCNLQDMVKIWUBQ-ZYHUDNBSSA-N 321.381 -0.188 30 20 DBED C#CCN1[C@H]2CC[C@H]1CN(C(=O)CN1CC(=O)N(C)C1=O)C2 1029552203 VWEMGSRMNASYCQ-RYUDHWBXSA-N 304.350 -0.811 30 20 DBED C#CCN1CCC(C(=O)NC2CN(CC(=O)N3CCC3)C2)CC1 1031436069 RQKNLWPTPBQBJG-UHFFFAOYSA-N 318.421 -0.636 30 20 DBED C#CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cn([C@@H]2CCOC2)nn1 1032722558 YEPFCDKPHNPLEV-AGIUHOORSA-N 301.350 -0.229 30 20 DBED C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(=O)n2[nH]cnc2n1 1032730895 SFEQDYLAWDYYMU-QWRGUYRKSA-N 314.349 -0.108 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)[C@@H]2CCc3n[nH]cc3C2)C1 1035575398 ZTLJQKSNLXKYGS-OCCSQVGLSA-N 302.378 -0.035 30 20 DBED N#CCN1CC[C@H]2CN(C(=O)c3nnc(O)nc3O)CC[C@H]21 1036763028 UKCFQAXXENILLF-DTWKUNHWSA-N 304.310 -0.657 30 20 DBED C#CCCCC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1039580398 SPJKQCCZRDIRCY-SHFYGJNESA-N 320.389 -0.238 30 20 DBED CC(=O)N(C)CC(=O)N1CC[C@@](O)(CNC(=O)C#CC(C)C)C1 1039663181 AYVDEDLTTYIGDN-MRXNPFEDSA-N 323.393 -0.796 30 20 DBED CC(C)OCC(=O)N1CC[C@@](O)(CNC(=O)C#CC2CC2)C1 1039677619 KKFCPQVXDCPBHN-MRXNPFEDSA-N 308.378 -0.096 30 20 DBED C#CCOCCC(=O)NC[C@@]1(O)CCN(C(=O)[C@H]2CCCO2)C1 1039719251 QPPJRBJEPILSMC-CJNGLKHVSA-N 324.377 -0.715 30 20 DBED N#Cc1ccc(NC[C@H]2C[C@H]3CC[C@H]2N(C(=O)C(N)=O)C3)nn1 1040020155 CTBGLSZMJZAMRT-CKYFFXLPSA-N 314.349 -0.127 30 20 DBED CCn1ccc(C(=O)N2CC[C@](O)(CNC(=O)[C@@H](C)C#N)C2)n1 1040759015 CZXOFROEOZWUDN-NHYWBVRUSA-N 319.365 -0.244 30 20 DBED C[C@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)Cc2cncnc2)C1 1040762773 LLXZIBOEOWHFMI-ABAIWWIYSA-N 317.349 -0.742 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)c2cn(C)cn2)C1 1042936766 PIZDLQSEDDIKBK-UHFFFAOYSA-N 304.350 -0.617 30 20 DBED C=CCC1(C(=O)N2CC(O)(CNC(=O)c3cnn[nH]3)C2)CCC1 1043808800 VWZSXTKEMIYBDB-UHFFFAOYSA-N 319.365 -0.146 30 20 DBED Cc1nc(N2C[C@H](O)[C@H](NC(=O)c3cnon3)C2)ccc1C#N 1044122367 FQQCXZUAMHFNJI-NEPJUHHUSA-N 314.305 -0.376 30 20 DBED N#Cc1nccnc1N1C[C@H](O)[C@H](NC(=O)c2cc(F)c[nH]2)C1 1044337756 XLBJCQPQEUKESK-NEPJUHHUSA-N 316.296 -0.205 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)Cc3cnoc3)C2)cn1 1044410678 MVRGFOJMXRYKFF-KGLIPLIRSA-N 313.317 -0.150 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)[C@H]2CC[C@H]2C(N)=O)C1 1044464553 QAFPRLZATCFOGU-MNOVXSKESA-N 323.393 -0.600 30 20 DBED N#CCSCC(=O)N1CC(O)(CNC(=O)Cc2ccco2)C1 1045201507 IJMRZIQUKJKXGI-UHFFFAOYSA-N 323.374 -0.232 30 20 DBED Cn1cncc1C(=O)N1CCN([C@H]2CCN(CC#N)C2)CC1 1046042512 WZMUFZIURGDRIA-ZDUSSCGKSA-N 302.382 -0.224 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 1047034676 LREJMWGOWTVZAP-UPJWGTAASA-N 324.377 -0.554 30 20 DBED N#CCN1C[C@H]2C[C@@H](NC(=O)Cn3c(O)nnc3O)C[C@H]1C2 1047190992 NEXUEACQHSWZAR-IVZWLZJFSA-N 306.326 -0.818 30 20 DBED CC(C)N(C)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C#CC2CC2)C1 1048828197 IMLWEBYZGZAVSM-GJZGRUSLSA-N 321.421 -0.230 30 20 DBED C#CCCN1CC[C@H]2[C@H]1CCCN2C(=O)Cn1c(O)nnc1O 1049866603 IJCUMOVEFLPSEK-NEPJUHHUSA-N 319.365 -0.222 30 20 DBED Cn1cc(C(=O)N2CCC[C@H]3CN(CC#N)C[C@H]32)ncc1=O 1050100878 WPBBLVHHYDCKMQ-WCQYABFASA-N 301.350 -0.160 30 20 DBED N#CCN1CCOC[C@H]1CNC(=O)c1ccc2nc(O)[nH]c2n1 1051089975 RAKDPIJHMKDVAR-SECBINFHSA-N 316.321 -0.382 30 20 DBED N#Cc1cnc(N2CC[C@@H](NC(=O)c3cnco3)[C@H](O)C2)cn1 1051755955 VYPKHXMSLVQFGT-GHMZBOCLSA-N 314.305 -0.294 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H]1CN(C(=O)COCC)C[C@@H]1C 1051885298 GFFDLFHVKRVTCO-QWHCGFSZSA-N 323.393 -0.627 30 20 DBED CCn1nncc1C(=O)N1CC[C@H](N2CCN(CC#N)CC2)C1 1052024602 HUWLPHPRUUINFC-ZDUSSCGKSA-N 317.397 -0.346 30 20 DBED C#CCOCCC(=O)NC[C@H]1CN(C(=O)CC(N)=O)C[C@H]1C 1052267164 WTIVTKCKPJGRDS-NEPJUHHUSA-N 309.366 -0.888 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)[C@@H]1CCN(C)C1=O)CCO2 1053382972 PVJMQGOJPYFFGN-CYBMUJFWSA-N 305.378 -0.599 30 20 DBED N#CCN1CC2(CC[C@H](CNC(=O)c3cc(C(N)=O)co3)O2)C1 1053662868 YDTMSSNARUYYFD-LLVKDONJSA-N 318.333 -0.135 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)CN3CCCCC3=O)CO2)C1 1053856132 CCHZRETXYDMAME-CQSZACIVSA-N 319.405 -0.018 30 20 DBED C=C(C)CN[C@H]1CN(C(=O)Cn2ccc(=O)n(C)c2=O)C[C@H]1C 1054701063 ASAWLBISXNGGBD-OLZOCXBDSA-N 320.393 -0.440 30 20 DBED N#Cc1cncc(N2C[C@H]3[C@H](NC(=O)[C@@H]4COCCO4)[C@H]3C2)n1 1056134201 GUKMTUOSNFBXIR-KZVDOYCCSA-N 315.333 -0.686 30 20 DBED Cc1nn[nH]c1C(=O)N[C@H]1[C@@H]2CN(c3cnc(C#N)cn3)C[C@@H]21 1056362018 KEAGPFIRYSSLFW-IWIIMEHWSA-N 310.321 -0.361 30 20 DBED N#Cc1sc(N2C[C@H]3[C@H](NC(=O)C(N)=O)[C@H]3C2)nc1Cl 1056381662 ASEPVWYMJDVPHA-KCQQBQQISA-N 311.754 -0.296 30 20 DBED CCn1nncc1C(=O)N1CC[C@@H](N=c2cc[nH]c(C#N)n2)C1 1056619701 IUUCGUFRDWSREW-SNVBAGLBSA-N 312.337 -0.292 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)c1cc(C)no1 1056949087 ZZGFZMIDUWRUSH-UHFFFAOYSA-N 311.338 -0.264 30 20 DBED O=C(C#CC1CC1)NCCN(CCO)C(=O)CCn1cccn1 1057013424 JXRWSXCHFDLQBE-UHFFFAOYSA-N 318.377 -0.376 30 20 DBED C#CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)COC(C)C 1057137766 RKTWYUBNVOOXPL-ZDUSSCGKSA-N 314.382 -0.613 30 20 DBED Cc1[nH]nc(C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N)c1O 1057354565 YKFXYXAHBMJHKR-QMMMGPOBSA-N 309.326 -0.866 30 20 DBED Cc1cc(C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N)c(C)nn1 1057697149 LHKCIWDVVUQWRP-JTQLQIEISA-N 319.365 -0.196 30 20 DBED N#Cc1ccc(N[C@@H]2CCCN(C(=O)[C@H]3CNC(=O)N3)C2)nn1 1057748540 LEONEAPYOKKGNG-GHMZBOCLSA-N 315.337 -0.567 30 20 DBED Cn1ncc(C(=O)N[C@@H]2CCCN(c3nccnc3C#N)C2)n1 1058175246 GOJSYNVTFUTKJN-SNVBAGLBSA-N 312.337 -0.124 30 20 DBED CCn1nncc1C(=O)NCCN(CCO)C(=O)[C@H](C)C#N 1058652823 GDGRRIYTLKEVHX-SNVBAGLBSA-N 308.342 -0.992 30 20 DBED CCn1cnc(C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N)c1 1058655411 XYVDTNOCNYFYNB-NSHDSACASA-N 307.354 -0.387 30 20 DBED N#Cc1nccnc1N[C@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 1059019686 DGHTZBXXBYEENJ-UWVGGRQHSA-N 300.322 -0.503 30 20 DBED C[C@@]1(C(=O)N2CC[C@H](Nc3cnc(C#N)cn3)C2)CCNC1=O 1059063036 LJDBIMQGWNSWNU-ZUZCIYMTSA-N 314.349 -0.113 30 20 DBED N#Cc1cncc(NC[C@@H]2CCCN(C(=O)CC(N)=O)C2)n1 1060009961 UHULADHPXDNOKV-JTQLQIEISA-N 302.338 -0.126 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](CCNC(=O)Cn2cncn2)C1 1060292677 WJDOFKYWYNBQMJ-RYUDHWBXSA-N 304.354 -0.207 30 20 DBED N#Cc1ccc(N2C[C@H]3[C@H](NC(=O)C(N)=O)[C@H]3C2)c([N+](=O)[O-])c1 1060468510 SOKBZTPNFGIADV-GDGBQDQQSA-N 315.289 -0.497 30 20 DBED N#Cc1ccc(N2CCC[C@H]2CNC(=O)[C@H]2CNC(=O)N2)nc1 1061441511 XHRSUMUZGFRQQJ-NWDGAFQWSA-N 314.349 -0.280 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@H]1COCCN1C(=O)c1cnon1 1061542606 LLQAAZQFKUYICS-YGRLFVJLSA-N 324.337 -0.646 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)c1cncnc1 1061846204 BVBICAWEQUAPHA-CMPLNLGQSA-N 303.322 -0.407 30 20 DBED N#Cc1cncc(N2[C@H]3CC[C@H]2CN(C(=O)Cn2cncn2)C3)n1 1061966264 WFAROIMKSCDNGI-STQMWFEESA-N 324.348 -0.180 30 20 DBED COC(=O)NCC(=O)NC[C@H]1CCCCN1C(=O)[C@@H](C)C#N 1062334109 MGDCCBAHJGISHX-WDEREUQCSA-N 310.354 -0.001 30 20 DBED C=CCOCC(=O)NC1(CNC(=O)c2ncn(C)n2)CCC1 1062927144 HFUBGDBZDBPGTF-UHFFFAOYSA-N 307.354 -0.214 30 20 DBED C=CCCC(=O)N1CCO[C@@H](CNC(=O)[C@@H](C)CC(N)=O)C1 1064960202 SJKJBPCHLYLDGL-RYUDHWBXSA-N 311.382 -0.192 30 20 DBED CC(C)C#CC(=O)N1CCO[C@@H](CNC(=O)c2cnnn2C)C1 1065129850 WBFMSUYJYFOKHY-LBPRGKRZSA-N 319.365 -0.568 30 20 DBED C[C@]1(NC(=O)[C@@H]2CNC(=O)N2)CCN(c2cnc(C#N)cn2)C1 1065324865 FZPFXYRZLDAMAV-HZMBPMFUSA-N 315.337 -0.885 30 20 DBED C=C(C)CCC(=O)NC[C@H]1CN(C(=O)C2(C(N)=O)CC2)CCO1 1065543871 HKCOTLJVPOSMJD-LBPRGKRZSA-N 323.393 -0.048 30 20 DBED C[C@H](Nc1cncc(C#N)n1)[C@H]1CCN(C(=O)CC(N)=O)C1 1065685184 VOZRJGNMOBFHNK-UWVGGRQHSA-N 302.338 -0.127 30 20 DBED C=CCOCC(=O)N1CCC[C@@H](NC(=O)Cn2ncnn2)CC1 1066202845 TYSNTQVEOJKSCO-GFCCVEGCSA-N 322.369 -0.627 30 20 DBED N#Cc1ccc(N2CCOC[C@H]2CNC(=O)c2cc[nH]n2)nn1 1066464987 VRMICDKPUVPJTK-LLVKDONJSA-N 313.321 -0.293 30 20 DBED C[C@H]1CN(C(=O)Cn2ccnc2)C[C@H]1N=c1cc[nH]c(C#N)n1 1067112684 HALGLBLHFFXWEI-NWDGAFQWSA-N 311.349 -0.074 30 20 DBED N#Cc1nc(=NCC2CC(NC(=O)[C@@H]3[C@H]4COC[C@H]43)C2)cc[nH]1 1067879427 HEMPQJNKXSOTBA-VYHIPVHBSA-N 313.361 -0.031 30 20 DBED C=CCCC(=O)N1CCOC2(C1)CN(C(=O)[C@@H]1CNC(=O)N1)C2 1068345869 AKRILLCACSQWIV-NSHDSACASA-N 322.365 -0.926 30 20 DBED C=CC(C)(C)C(=O)NC[C@@H]1CCC2(CN(C(=O)CC(N)=O)C2)O1 1068598414 OWMMXLZWGSJXGR-NSHDSACASA-N 323.393 -0.050 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1COC2(C1)CN(C(=O)c1ccnnc1)C2 1069008794 VHOWOOGQZRUFQX-CMPLNLGQSA-N 315.333 -0.264 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@]2(CCCN(C(=O)C(N)=O)C2)C1 1069776972 VZJDYTRXBVNTAW-WBMJQRKESA-N 321.377 -0.649 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CCCN(C(=O)CNC(N)=O)C2)c1 1070405580 VDKRQUDKWYMHPG-SNVBAGLBSA-N 318.337 -0.725 30 20 DBED N#CCN1CCOC[C@@H]1c1n[nH]c(CNC(=O)c2cocn2)n1 1070581799 KQPKGAJBLRIYGE-SNVBAGLBSA-N 317.309 -0.380 30 20 DBED N#Cc1ccc(C(=O)N2CCC[C@@H](NC(=O)CNC(N)=O)C2)[nH]1 1070624427 PDDZFWVGWCIMSG-SNVBAGLBSA-N 318.337 -0.725 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@H]2CCOC2)C[C@H]1c1cncn1C 1070625883 DRZFYZTXWLUWPX-BFHYXJOUSA-N 302.378 -0.026 30 20 DBED C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1NC(=O)c1nnn(C)n1 1071659349 WJAUBUKKPQLTKM-RKDXNWHRSA-N 323.382 -0.956 30 20 DBED C=CCOCC(=O)N[C@H]1CN(C(=O)CNC(=O)OC)C[C@@H]1C 1071713949 KQGFIXHWLAZUOB-QWRGUYRKSA-N 313.354 -0.492 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H](C)[C@@H](NC(=O)CCOCC)C1 1071936734 SPCLAUGOXUWUOU-STQMWFEESA-N 323.393 -0.484 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1NC(=O)CCn1cnnn1 1072040446 YKGPKIRIZYRZAA-YPMHNXCESA-N 316.365 -0.560 30 20 DBED C[C@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1NC(=O)CSCC#N 1072635030 CRTYELAHFRYCMG-VHSXEESVSA-N 324.406 -0.528 30 20 DBED CC#CCN1CCO[C@H]2CCN(C(=O)c3cnnn3C)C[C@@H]21 1074232459 ABCALNDVJZRIOU-KBPBESRZSA-N 303.366 -0.246 30 20 DBED N#CCN1CCO[C@@H]2CCN(C(=O)c3ccc(C(N)=O)[nH]3)C[C@H]21 1074340413 IVRANIXAFMGZDZ-CHWSQXEVSA-N 317.349 -0.448 30 20 DBED C#CCOCCC(=O)N[C@@H](C)CCNC(=O)CN(C)C(C)=O 1075681741 ABHKIBJQWBACBL-LBPRGKRZSA-N 311.382 -0.484 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC[C@H](C)NC(=O)[C@H]1CCC(=O)N1 1076300509 LYBVRULRXHUWPQ-FIXISWKDSA-N 311.382 -0.397 30 20 DBED CC#CCN1C[C@@H]2CCN(C(=O)CN3CC(=O)N(C)C3=O)[C@@H]2C1 1076455481 ZUDVNZZMUSCCPD-QWHCGFSZSA-N 318.377 -0.564 30 20 DBED C#CCO[C@H](C)C(=O)NCC[C@H](C)NC(=O)Cn1cccn1 1076508779 FTGGPLDAUQHZGU-QWHCGFSZSA-N 306.366 -0.068 30 20 DBED C#CCOCCC(=O)N[C@@H](C)CCNC(=O)[C@H]1CCCC(=O)N1 1076997283 MJLDSSCVWBNBCJ-QWHCGFSZSA-N 323.393 -0.294 30 20 DBED C[C@@H](CCNC(=O)c1nnc(O)nc1O)NC(=O)[C@@H](C)C#N 1077578295 WBQFIAIUGPXHFX-BQBZGAKWSA-N 308.298 -0.933 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H](C)CCNC(=O)[C@]1(C)CCC(=O)N1 1078250355 OMVZXNSMFAZECP-OZVIIMIRSA-N 323.393 -0.296 30 20 DBED C#CCNC(=O)CC(=O)N(CC)C1CN(C(=O)C#CC2CC2)C1 1079644485 HCYQBFDXXIHFSC-UHFFFAOYSA-N 315.373 -0.401 30 20 DBED N#CCN[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)C[C@H]1c1ccccc1 1081170914 VCLSFUGODFEIPT-MELADBBJSA-N 313.361 -0.224 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)Cn2cncn2)C[C@@H]1O 1081337389 DWJMYHNSEZMLGI-RYUDHWBXSA-N 307.354 -0.820 30 20 DBED C#CCCCCC(=O)NC[C@H]1CN(C(=O)c2cnn[nH]2)C[C@H]1O 1081422618 OOMVDYPGBHFLMY-WCQYABFASA-N 319.365 -0.453 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C[C@H]1O 1081462437 AAPPNNHTNCDXBM-SSZWKKLZSA-N 320.389 -0.526 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@H](CNC(=O)Cn2ccnc2)C1 1081576649 DAUYZQWNLMJJQC-OLZOCXBDSA-N 322.365 -0.979 30 20 DBED CC#CCN1C[C@@H](NC(=O)[C@]2(C)CCNC(=O)C2)[C@H](OC)C1 1081849296 OQEQFANJIQHFDB-XJKCOSOUSA-N 307.394 -0.259 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cn2c(n1)CCC2 1083084157 BKBQUAYGVSOQQI-QWHCGFSZSA-N 301.350 -0.122 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cn(C)c(=O)n1C 1083286265 ZWAYFQXYZKMPCX-GXTWGEPZSA-N 318.377 -0.728 30 20 DBED C=CCN1CC[C@H](N2C[C@H](O)[C@H](NC(=O)C(F)F)C2)C1=O 1083299059 FRDVAWQYPDNQGO-UTLUCORTSA-N 303.309 -0.800 30 20 DBED CN1CCOc2ccc(C(=O)N[C@@H]3CN(CC#N)C[C@@H]3O)cc21 1083567981 AYJGFLKZHOPLKG-OCCSQVGLSA-N 316.361 -0.186 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)c2c(OC)ccnc2OC)C1 1083635192 GQFBEVPTTZSXQN-NEPJUHHUSA-N 319.361 -0.103 30 20 DBED Cn1cc(C(=O)N[C@@H]2CN(CC#N)C[C@@H]2O)c(-c2ccoc2)n1 1083665386 CWEREQCHTPVXAB-OLZOCXBDSA-N 315.333 -0.021 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)[C@H]2OCCc3ccccc32)C1 1083689448 UXMWXBMFCDJEAX-ILXRZTDVSA-N 301.346 -0.015 30 20 DBED N#Cc1ccc(CN2C[C@H](O)[C@H](NC(=O)c3nc[nH]n3)C2)cc1 1083873685 LVGKBNGZMODVEI-OLZOCXBDSA-N 312.333 -0.349 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)c2nc3nccc(C)n3n2)C1 1084022850 ZXVMSBKGPGNOGX-NEPJUHHUSA-N 316.365 -0.216 30 20 DBED N#CCN[C@H]1CCCCCN(C(=O)C2CC(=O)NC(=O)C2)C1 1088398246 DBWVLUMSBQKWPU-LBPRGKRZSA-N 306.366 -0.076 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2ccnc3nc(C)nn23)[C@@H](O)C1 1090724521 KJQUDGXQJFBWIU-YPMHNXCESA-N 314.349 -0.769 30 20 DBED N#Cc1nc(=NCCNC(=O)CC(=O)NCC2CC2)cc[nH]1 1093845995 MHAKMIRWJTVUNI-UHFFFAOYSA-N 302.338 -0.785 30 20 DBED CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NCCNc1cnc(C#N)cn1 1094141236 LTFCLYCQZIMGDJ-WDEREUQCSA-N 302.338 -0.399 30 20 DBED N#Cc1ccc(NCCNC(=O)[C@H]2CC[C@@H](C(N)=O)C2)nn1 1094142706 UAXZCIJGRVYTLL-ZJUUUORDSA-N 302.338 -0.222 30 20 DBED N#CCN1CCN(C(=O)c2ccc[nH]2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094606269 OFIHFDLXFKVMSQ-NWDGAFQWSA-N 308.363 -0.538 30 20 DBED CO[C@@H](C(=O)NCCCN=c1cc[nH]c(C#N)n1)[C@H]1CCOC1 1094684335 SIOKRDKQOVSVOO-SMDDNHRTSA-N 319.365 -0.260 30 20 DBED C[C@H](NC(N)=O)C(=O)N1CC[C@H](N(C)c2cncc(C#N)n2)C1 1095113425 QMFZSVJNGWWFOM-ONGXEEELSA-N 317.353 -0.558 30 20 DBED N#Cc1cccnc1N1CCCN(C(=O)CNC(N)=O)CC1 1095163670 CDBNLPXDCVJDMG-UHFFFAOYSA-N 302.338 -0.340 30 20 DBED N#Cc1nccnc1NCC1CCN(C(=O)CNC(N)=O)CC1 1095254208 NEFYNHWRPUZSJB-UHFFFAOYSA-N 317.353 -0.333 30 20 DBED CNC(=O)NCC(=O)NCCCN(C)c1nccnc1C#N 1095762622 ADSAJDRXXYYJGM-UHFFFAOYSA-N 305.342 -0.780 30 20 DBED N#Cc1cncc(N[C@H](CNC(=O)[C@H]2CCC(=O)N2)C2CC2)n1 1096601380 YVFJBSZXFYJBGH-VXGBXAGGSA-N 314.349 -0.066 30 20 DBED CCC(=O)N(C)CC(=O)N1CCN(c2ccnc(C#N)n2)CC1 1096909291 XEKUJGHDIADKRV-UHFFFAOYSA-N 316.365 -0.135 30 20 DBED N#Cc1cnc(N[C@H]2CCN(C(=O)CCNC(N)=O)C2)cn1 1096938010 KYGBKUDYEKSBSH-VIFPVBQESA-N 303.326 -0.581 30 20 DBED CN(C)CCOCC(=O)N1CC[C@H](N=c2cc[nH]cc2C#N)C1 1096947352 QOBUPWUGEQBNHI-AWEZNQCLSA-N 317.393 -0.034 30 20 DBED CC(=O)N[C@H](C)C(=O)N[C@H]1C[C@H](N=c2cc[nH]c(C#N)n2)C1 1096986698 IWRUMEYYODJOBF-FBIMIBRVSA-N 302.338 -0.646 30 20 DBED C[C@@H](C(=O)NC[C@@H](C)N=c1cc[nH]c(C#N)n1)S(C)(=O)=O 1098393212 SCQNTKFMNWVOFC-BDAKNGLRSA-N 311.367 -0.880 30 20 DBED C=C(C)CCC(=O)N[C@@H]1CCN(CCOCCO)C[C@H]1O 1099857729 BABWWPVDZXIJJN-ZIAGYGMSSA-N 300.399 -0.097 30 20 DBED C=CCCCN1CC[C@H](NC(=O)CN2CC(=O)NC2=O)[C@@H](O)C1 1100033420 DYQKLLRLVROHQV-RYUDHWBXSA-N 324.381 -0.944 30 20 DBED C=CCN1CC[C@@H](NC(=O)C(=O)NCC(F)(F)F)[C@H](O)C1 1100056095 OQOXZBSDOCKMTB-RKDXNWHRSA-N 309.288 -0.598 30 20 DBED C=CCCOCC(=O)N[C@H]1CCN(CC(=O)N(C)C)C[C@H]1O 1100138350 HKSXCLVRTWHKCD-QWHCGFSZSA-N 313.398 -0.781 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)[C@@H](OC)C2CC2)C1 1100295170 FVTQAFFJHNKNBS-HGMXIMQMSA-N 307.394 -0.355 30 20 DBED CCC(=O)N[C@@H](C)C(=O)NCCN(C)c1cnc(C#N)cn1 1100376878 CWDYUHQORPLBDT-JTQLQIEISA-N 304.354 -0.185 30 20 DBED COCC(=O)N[C@@H](C)C(=O)NCCN(C)c1ccc(C#N)cn1 1100378044 FAEDCQKVZOFYRW-NSHDSACASA-N 319.365 -0.343 30 20 DBED CNC(=O)CC(=O)NC[C@H]1CCN(c2nccnc2C#N)C1 1100975622 LEJRVZPGNAZDBN-SNVBAGLBSA-N 302.338 -0.573 30 20 DBED N#CCNC1CC(CNC(=O)CCNC(=O)[C@@H]2CCCO2)C1 1101072349 GVGZWIBBTRZDSP-BPCQOVAHSA-N 308.382 -0.320 30 20 DBED Cc1nc(CC(=O)N(C)CCNc2nccnc2C#N)n[nH]1 1101595167 IVOKRJKHNDSQEH-UHFFFAOYSA-N 300.326 -0.112 30 20 DBED Cc1nc(CC(=O)N(C)CCNc2cnc(C#N)cn2)n[nH]1 1101595424 UOOSAFKLAVJMBT-UHFFFAOYSA-N 300.326 -0.112 30 20 DBED CN(CCNc1ccc(C#N)nn1)C(=O)[C@@H]1CCCNC1=O 1101815232 XOFLWXXQMUAYIA-LLVKDONJSA-N 302.338 -0.255 30 20 DBED CN(CCNc1ccc(C#N)nn1)C(=O)CC1CS(=O)(=O)C1 1101836240 RNGFDZJPWXWWBX-UHFFFAOYSA-N 323.378 -0.347 30 20 DBED C#CCN1C[C@@H](C)[C@H](CNC(=O)CCN2C(=O)CCC2=O)C1 1102133470 APRYUZIEYBLYJO-CHWSQXEVSA-N 305.378 -0.157 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H](CC)Nc1cnc(C#N)cn1 1103039434 KCGWEMAQZFKDQE-NSHDSACASA-N 314.349 -0.206 30 20 DBED CC[C@@H](CNC(=O)[C@H]1CN(C)C(=O)N1)Nc1cncc(C#N)n1 1103262050 XCLAEYQXVCIYNJ-GXSJLCMTSA-N 317.353 -0.321 30 20 DBED Cc1cc(=NC[C@@H](C)N(C)C(=O)[C@H](C)NC(N)=O)c(C#N)c[nH]1 1104535720 XVQCJRQYTISWNQ-MNOVXSKESA-N 318.381 -0.001 30 20 DBED C[C@H]1CN(C(=O)CNC(N)=O)CC[C@@H]1Nc1cncc(C#N)n1 1105029921 KJPUNGUUYGKAKM-ONGXEEELSA-N 317.353 -0.335 30 20 DBED N#CCNCc1cn(C2CN(C(=O)CCc3cnn[nH]3)C2)nn1 1105329927 FMEHSIYKTDOHJN-UHFFFAOYSA-N 315.341 -0.975 30 20 DBED CN(CCN(C)c1ccc(C#N)nc1)C(=O)CS(C)(=O)=O 1105342096 QGLQTUFYLZHBHV-UHFFFAOYSA-N 310.379 -0.108 30 20 DBED CC#CCNCc1cn(C2CN(C(=O)c3nonc3C)C2)nn1 1105382426 IEPPTWMTHFWULB-UHFFFAOYSA-N 315.337 -0.220 30 20 DBED CN(CCN(C)c1cncc(C#N)n1)C(=O)[C@@H]1COC(=O)N1 1105393097 JMNVYNWBMHOBTC-JTQLQIEISA-N 304.310 -0.649 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)CNC(=O)C2CC2)nc1 1105722766 XOHCWYDLDOOGBL-LBPRGKRZSA-N 317.349 -0.632 30 20 DBED Cn1cnc(C(=O)NC[C@@H](O)CN=c2cc[nH]cc2C#N)c1 1105793183 XMIGTHOHBCTKPG-NSHDSACASA-N 300.322 -0.689 30 20 DBED CNC(=O)CCCC(=O)NC[C@H](O)CNc1cncc(C#N)n1 1105794177 CBLNPELLBDVTEF-LLVKDONJSA-N 320.353 -0.846 30 20 DBED Cc1nsc(NC[C@H](O)CNC(=O)c2nnn(C)n2)c1C#N 1106054992 LOZHAUBTFJFEID-SSDOTTSWSA-N 322.354 -0.951 30 20 DBED CCC(=O)N[C@H](C)C(=O)NC[C@H](O)CNc1cncc(C#N)n1 1106141060 VRSGAKJDLPUYNM-MWLCHTKSSA-N 320.353 -0.848 30 20 DBED Cc1nnccc1C(=O)NC[C@@H](O)CNc1ccc(C#N)nn1 1106173013 DZSRZOLCAUBIRG-NSHDSACASA-N 313.321 -0.351 30 20 DBED CCN(CCNc1nccnc1C#N)C(=O)[C@H]1CN(C)C(=O)N1 1106907126 WCKMRNFDWRBMDA-LLVKDONJSA-N 317.353 -0.368 30 20 DBED C=CCOCC(=O)NCc1cn(C2CN(C[C@H](C)OC)C2)nn1 1107146782 QPOGJYVOVUMRFJ-LBPRGKRZSA-N 323.397 -0.012 30 20 DBED CC#CCN1CC(n2cc(CNC(=O)CN3CCCC3)nn2)C1 1107235741 LFMYUHJYQGNEBK-UHFFFAOYSA-N 316.409 -0.130 30 20 DBED N#Cc1nccnc1NC/C=C/CNC(=O)[C@H]1CNC(=O)N1 1107489580 DUPMYPXFBXZTTF-TXXBHVLJSA-N 301.310 -0.886 30 20 DBED COCC#CCN1CCO[C@](C)(CNC(=O)c2cnn(C)c2)C1 1107729249 IWKAUISLWWBZMS-MRXNPFEDSA-N 320.393 -0.109 30 20 DBED C[C@H](C(N)=O)N1CCO[C@@](C)(CNC(=O)CSCC#N)C1 1107753499 HAFPUGAAYWSTAU-MFKMUULPSA-N 314.411 -0.676 30 20 DBED COC[C@@]1(C(=O)NC[C@@]2(C)CN(CC#N)CCO2)CCOC1 1108100671 YYAVLDFTEKDKCA-GJZGRUSLSA-N 311.382 -0.230 30 20 DBED C[C@@H](CNc1nccnc1C#N)NC(=O)CCn1cnnn1 1108484172 RNROFWGCBPTSRU-VIFPVBQESA-N 301.314 -0.658 30 20 DBED C=C(C)CN1CC(N2C[C@@H](NC(=O)C(C)(C)C(N)=O)CC2=O)C1 1108553690 SYDRTYIPYOIKKD-NSHDSACASA-N 322.409 -0.525 30 20 DBED C[C@@H](CN=c1cc[nH]cc1C#N)NC(=O)C[C@@H]1CCNC1=O 1108574173 YHSQAQVPNFPRFH-QWRGUYRKSA-N 301.350 -0.182 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H]1CCOC1 1110357581 ZGRFAWPJJNUIGA-SYQHCUMBSA-N 305.378 -0.506 30 20 DBED C[C@@]1(NC(=O)Cn2cncn2)CCN(c2cncc(C#N)n2)C1 1110760369 JJVMRMFIKDWXET-CQSZACIVSA-N 312.337 -0.275 30 20 DBED C[C@H](NC(N)=O)C(=O)N(CCO)CCNc1ncccc1C#N 1111469113 GXOVMTDLLUOITA-JTQLQIEISA-N 320.353 -0.757 30 20 DBED C[C@H](NC(N)=O)C(=O)N(C)CCCN(C)c1nccnc1C#N 1112067362 FNZPEZAXFDAKDZ-JTQLQIEISA-N 319.369 -0.310 30 20 DBED C[C@H](C#N)C(=O)N1CCN(CC(=O)NC[C@H]2CCCO2)CC1 1112711817 TXBCBIWFDNFHSC-CHWSQXEVSA-N 308.382 -0.415 30 20 DBED CCn1ccnc1C(=O)N1CCN(CC(=O)NCC#N)CC1 1112804144 GURXSMBRCWUNPT-UHFFFAOYSA-N 304.354 -0.699 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)Cc2nnc(C)o2)CC1 1112818516 JDYSCOCSLVQCMB-NSHDSACASA-N 319.365 -0.797 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3cncs3)[C@H]2C1 1113945509 VBWPWUZORSWZPR-UWVGGRQHSA-N 304.375 -0.448 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3cnnc(C)c3)[C@H]2C1 1114176266 STGOQAYAKNQPLR-NHAGDIPZSA-N 313.361 -0.806 30 20 DBED C#CCCCC(=O)NC1[C@@H]2CN([C@@H](C)C(=O)NCC#C)C[C@@H]12 1114201373 ODGGBKCBZLLVOK-BFHYXJOUSA-N 301.390 -0.026 30 20 DBED C#CCN1C[C@H]2[C@H](NC(=O)CNC(=O)C3CCOCC3)[C@H]2C1 1114988688 JWJKILLMHRNYAR-NHAGDIPZSA-N 305.378 -0.791 30 20 DBED C=C(C)CN1C[C@H]2[C@H](NC(=O)COCc3nncn3C)[C@H]2C1 1115046429 LYGHFOXEYUBELC-JYAVWHMHSA-N 305.382 -0.046 30 20 DBED C=CCO[C@H](C)C(=O)NC1[C@@H]2CN(Cc3nncn3C)C[C@@H]12 1115331685 BWLQPARRMGYEKK-IJLUTSLNSA-N 305.382 -0.047 30 20 DBED C=CC[C@H](NC(=O)CCCN1C(=O)CNC1=O)C(=O)OCC 1116587569 SGWKWXWUYOMSJC-JTQLQIEISA-N 311.338 -0.058 30 20 DBED C=C(C)COCCNC(=O)C(=O)NC[C@@H](C)S(C)(=O)=O 1117553812 TUFMLOFFYXKDHM-SNVBAGLBSA-N 306.384 -0.755 30 20 DBED CC(=O)CCCC(=O)NC[C@@H](CO)Nc1cnc(C#N)cn1 1121049443 DJCHJYDJZTXTLJ-LBPRGKRZSA-N 305.338 -0.003 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)C23CCN(CC2)C3)cn1 1121805858 FKIAHYHXSHTWCC-CQSZACIVSA-N 315.377 -0.062 30 20 DBED N#Cc1cnc(N[C@@H](CO)CNC(=O)[C@H]2CCNC2=O)c(F)c1 1122355567 MIDREWXHACOKDJ-ZJUUUORDSA-N 321.312 -0.883 30 20 DBED N#Cc1nc(=N[C@H](CO)CNC(=O)[C@H]2CC23CCC3)cc[nH]1 1122630521 XXDYFWCMPXVEJN-WDEREUQCSA-N 301.350 -0.151 30 20 DBED CN(C[C@H](O)CNc1cncc(C#N)n1)C(=O)c1ccnn1C 1124148499 BKKCVEHZTLHMGD-LLVKDONJSA-N 315.337 -0.373 30 20 DBED CN(C[C@H](O)CNc1nccnc1C#N)C(=O)c1cocn1 1124199906 HXHOSCRYHBESBS-SECBINFHSA-N 302.294 -0.119 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)[C@@H](CC)SC 1125739168 GQIQBFSOZMYWCH-SNVBAGLBSA-N 316.427 -0.154 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CC)C[C@@H]1n1ccnn1 1129506804 OJNIUNRQPZNNHR-UPJWGTAASA-N 318.381 -0.833 30 20 DBED C#CCN[C@@H]1CN(C(=O)COCCC=C)C[C@@H]1n1ccnn1 1130148150 IDGWANGMEJDKAX-KGLIPLIRSA-N 303.366 -0.155 30 20 DBED Cc1nc2c([nH]1)C[C@H](C(=O)NCCNCC(=O)NCC#N)CC2 1130490351 BMNRMMJIHZPYKJ-LLVKDONJSA-N 318.381 -0.831 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cc(COC)cs1 1130879102 GORIUZRUIVENML-UHFFFAOYSA-N 309.391 -0.037 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC(=O)NCCN(CC#N)CC1 1131364838 ZAKXUWLPXMTWBS-ZDUSSCGKSA-N 306.366 -0.801 30 20 DBED C#CCN1CC[C@@]2(C1)CN(C(=O)CNC(=O)NC)C[C@H](C)O2 1131665853 JUPQPRRSEPZAFV-SWLSCSKDSA-N 308.382 -0.760 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CC[C@H](C)N(Cc2cnon2)C1 1131979924 DQBDYYYWLLEBCH-RYUDHWBXSA-N 319.365 -0.322 30 20 DBED C=CCOCC(=O)N[C@H](C)C[C@H](C)NCc1nc(=O)n(C)[nH]1 1133909849 RSIBRJYOHVFIOU-WDEREUQCSA-N 311.386 -0.316 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)c1ncccc1O)NCC(=O)NCC#N 1134189128 JMYVUZLXAQUCCC-WDEREUQCSA-N 319.365 -0.087 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@H]1CC(=O)N(CCC)C1 1134503589 PXTRMYMAZCRHLM-STQMWFEESA-N 322.409 -0.911 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@H](C)c1c(C)n[nH]c1C 1135432672 NTCVZXOFMCKJDP-MFKMUULPSA-N 319.409 -0.026 30 20 DBED Cc1nccc(C(=O)N[C@@H](C)C[C@H](C)NCC(=O)NCC#N)n1 1146383331 HZCPKLJKQKHYLW-QWRGUYRKSA-N 318.381 -0.089 30 20 DBED C[C@@H](C[C@H](C)NC(=O)CCS(=O)(=O)N(C)C)NCC#N 1146570723 IJMQTOCMOMWREL-QWRGUYRKSA-N 304.416 -0.336 30 20 DBED C#CCNC(=O)CN1CCCO[C@H](CNC(=O)c2cocn2)C1 1149355181 FHDULIWXWWIYRT-GFCCVEGCSA-N 320.349 -0.755 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(CC(=O)NC(N)=O)CCCO1 1149639658 OOBNVDHWXXCKIW-GFCCVEGCSA-N 324.381 -0.808 30 20 DBED C#CCN1CCC(C(=O)NCCN[C@H](C)C(=O)NCCC)CC1 1152330481 OZZGSUDIXXYDKC-CQSZACIVSA-N 322.453 -0.048 30 20 DBED C#CCNC(=O)CN1CC=C(CCNC(=O)[C@H]2CCOC2)CC1 1159498141 HMGXPRRYVJNQBT-HNNXBMFYSA-N 319.405 -0.089 30 20 DBED C=CCCC(=O)N1CC[C@H]2OCCN(CC(=O)NC(N)=O)[C@H]2C1 1176955808 ZOBITUOERARCNS-NWDGAFQWSA-N 324.381 -0.551 30 20 DBED C[C@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)CN1CCC[C@H]1C 1179534523 NSECFAKZTBXNLO-RDBSUJKOSA-N 321.425 -0.311 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)COCCOC)C1 1181731407 NDAMSBCUDXZYAP-CHWSQXEVSA-N 313.398 -0.469 30 20 DBED COc1ccnc(C(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)c1 1184784547 JPZKXKBXINQEMQ-LLVKDONJSA-N 317.349 -0.466 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)CCCOC)[C@@H]2C1 1187031992 SDAWSSRFHLGHCB-UONOGXRCSA-N 307.394 -0.305 30 20 DBED C=CCNC(=O)CN1C[C@@H]2CCN(C(=O)CC(=O)NCC)[C@@H]2C1 1187598554 SJWRMIUJADJSHS-QWHCGFSZSA-N 322.409 -0.653 30 20 DBED C=CCNC(=O)[C@@H](C)N(C)[C@H]1CCN(C(=O)CNC(=O)CC)C1 1189427938 LRHWOCONBVZTBO-OLZOCXBDSA-N 324.425 -0.264 30 20 DBED CN(CC(=O)NCC#N)[C@H]1CCN(C(=O)C2=CCOCC2)C1 1189787455 PCWQVHLMQGOBMA-ZDUSSCGKSA-N 306.366 -0.494 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(Cc2ncccn2)C[C@H]1O 1192530090 JRTXVBPBZXILSA-LALPHHSUSA-N 306.366 -0.535 30 20 DBED CN(CC(=O)NCC#N)[C@H]1CCN(C(=O)Cc2cscn2)C1 1192696059 LFJHPWSFXJGMPZ-LBPRGKRZSA-N 321.406 -0.142 30 20 DBED CCc1nnc(CN2C[C@@H](O)[C@H](NC(=O)C#CC(C)C)C2)o1 1192751625 DJFUHALXEXEDTO-VXGBXAGGSA-N 306.366 -0.047 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)c2ccnn2C)C1 1193069053 XZMGVJNFTMMJDF-GZBFAFLISA-N 320.393 -0.665 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCCN(C(=O)c2cn(C)nn2)CC1 1195710564 WWGCGSWEDWOGPG-GFCCVEGCSA-N 318.381 -0.899 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)CCCN(C)C)CC1 1196970674 QIIVAJDLPWDSJN-UHFFFAOYSA-N 308.426 -0.388 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)[C@@H](CC)NC(C)=O)CC1 1197227334 OFNCPQPXTXSJSQ-CQSZACIVSA-N 324.425 -0.262 30 20 DBED C=CCN1CCCN(C(=O)CNS(=O)(=O)N(C)C)CC1 1197283232 GQMAVURHYPJLQL-UHFFFAOYSA-N 304.416 -0.897 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)c2cn(C(C)C)nn2)C1 1197303602 YQUVHRVZEIXNFM-TZMCWYRMSA-N 323.397 -0.164 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)C(=O)Nc2cc(C)on2)C1 1198645343 PEAFQXTWXJNGLB-GHMZBOCLSA-N 308.338 -0.341 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)[C@H](C)CN2CCOCC2)C1 1198699111 JDMSXALPGGUFFC-RBSFLKMASA-N 311.426 -0.308 30 20 DBED N#CCNC(=O)CNC[C@H]1CN(C(=O)/C=C\C2CC2)CCCO1 1200207355 SLOSCZZEBGRDBO-WSNITJDQSA-N 320.393 -0.201 30 20 DBED Cc1n[nH]cc1C(=O)N1CCC(NCC(=O)NCC#N)CC1 1201907522 QUYUUULQPJMGRO-UHFFFAOYSA-N 304.354 -0.448 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CNCCN2C(=O)CNC2=O)CC1 1204811358 JABBLWKRLJIRKN-LLVKDONJSA-N 321.381 -0.474 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)C1CCOCC1 1205721186 TVWZQJPLKBHVGM-DGCLKSJQSA-N 308.382 -0.511 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)CNC(C)=O)[C@H](C)C1 1205756122 BAHPAPHNNZNMQH-NQBHXWOUSA-N 310.398 -0.750 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)CNC(=O)OC)C1 1207541404 FOZUQXVGJAQMAX-LLVKDONJSA-N 312.370 -0.775 30 20 DBED COCC#CCN[C@H]1CCCN(C(=O)C[C@@H](C)NC(N)=O)C1 1208042498 SVPZTKOWHIUBOJ-OLZOCXBDSA-N 310.398 -0.336 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2csnn2)C[C@H]1OC 1212257417 BHFHMGFVTVNTNB-RAIGVLPGSA-N 324.406 -0.108 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H](C)NC(C)=O)C[C@H]1C 1214094453 IXWYLKAIBBHVRR-NQBHXWOUSA-N 310.398 -0.750 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)COCc1nccn1C 1218152756 DNSTZRVNLHDURE-UONOGXRCSA-N 318.377 -0.519 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H](C)C(C)C 1218709306 OTRVSFNCTPBTNC-SOUVJXGZSA-N 321.421 -0.061 30 20 DBED COCC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1nc(C)c[nH]1 1218753073 UAOIUVNMXMUOFO-UONOGXRCSA-N 318.377 -0.107 30 20 DBED COc1ncccc1CN1C[C@H](O)[C@H](NC(=O)[C@H](C)C#N)C1 1219379260 PPXSOGYWJBIFCU-RTXFEEFZSA-N 304.350 -0.089 30 20 DBED CCn1nc(C)cc1C(=O)N[C@@H]1CN(CC#CCOC)C[C@@H]1O 1220416070 INCRHJODXDDXQA-HIFRSBDPSA-N 320.393 -0.364 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)CS(=O)(=O)CCOC)[C@@H]2C1 1221650930 MNWZHCHIOKQXTH-CHWSQXEVSA-N 314.407 -0.787 30 20 DBED C=C(C)CN1CC[C@@H]2CN(C(=O)CS(=O)(=O)NC)[C@@H]2C1 1222022524 MMOODRGPDOQYTI-VXGBXAGGSA-N 301.412 -0.356 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H]2CCN(CCOC)[C@H]2C1 1222562561 MLNUKQQMKYXCGW-KGLIPLIRSA-N 307.394 -0.305 30 20 DBED CO[C@@H](C)CC(=O)NCC1CCN(CC(=O)NCC#N)CC1 1222599701 IQSSEQIBTBGNIS-LBPRGKRZSA-N 310.398 -0.121 30 20 DBED C#CCN1CCS(=O)(=O)[C@H](CCNC(=O)C(C)(F)F)C1 1230406011 BTXCWHPFUNREHA-SNVBAGLBSA-N 308.350 -0.120 30 20 DBED C=CCO[C@@H](C)C(=O)NC1CCN(Cc2nnnn2C)CC1 1230407275 LVVZNXKHNXPZCS-NSHDSACASA-N 308.386 -0.118 30 20 DBED C#CCN1CCS(=O)(=O)[C@@H](CCNC(=O)c2ccnnc2)C1 1230503092 XMEPGTBVTYLUFH-ZDUSSCGKSA-N 322.390 -0.671 30 20 DBED C=CC[C@@H](CC)NC(=O)C(=O)N1CCN(CC(=O)NCC)CC1 1258512436 HWCGXTAFSMZETQ-CYBMUJFWSA-N 324.425 -0.262 30 20 DBED C=CCCCNC(=O)C(=O)NC[C@@H]1CC[C@H](C(=O)N(C)C)O1 1261136835 RKBYOCLKPJUOAC-NWDGAFQWSA-N 311.382 -0.179 30 20 DBED Cc1cc(NC(=O)C(=O)NC[C@@H]2CCCNC2=O)ncc1C#N 1261548683 YGFSFHVFANHIIQ-JTQLQIEISA-N 315.333 -0.157 30 20 DBED C=C[C@@H](COC)NC(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 1320294132 JIISUIMAQZCDHD-WDEREUQCSA-N 305.400 -0.089 30 20 DBED C#C[C@H](NC(=O)C(=O)NCCC(=O)NC(C)(C)C)[C@@H]1CCCO1 1324350678 SJIDBIIZQPURJP-RYUDHWBXSA-N 323.393 -0.296 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCC(C#N)CC1 1324421146 BDMIMCUBARVIGL-UHFFFAOYSA-N 313.379 -0.534 30 20 DBED C=CCN1CC[C@H](N(C)Cc2nc(CC(=O)NC)no2)C1=O 1325138530 AQZQQRDEFKVVFP-JTQLQIEISA-N 307.354 -0.423 30 20 DBED CC1(C)OC[C@@H](CNC(=O)C(=O)N2CC[C@](O)(CC#N)C2)O1 1326897031 BHDPMPXSMRMRFJ-QMTHXVAHSA-N 311.338 -0.869 30 20 DBED CC[C@@H](C)N1CCN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)CC1 1327042074 KSWGWALPQZCSFG-CJNGLKHVSA-N 322.409 -0.194 30 20 DBED O=C(C#CC1CCNCC1)N[C@@H]1CCN(C2CCOCC2)C1=O 1333320084 LQEGLWVLILJZRD-OAHLLOKOSA-N 319.405 -0.115 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N[C@@H]1COCC[C@H]1OC 1333423484 CYAPEHQNZQIOLT-CHWSQXEVSA-N 312.366 -0.595 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)Nc1cnn(CC#N)c1 1335299217 BGAJAAQJNUVFAR-NSHDSACASA-N 303.322 -0.110 30 20 DBED N#C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](n3cncn3)C2)C1 1335542194 BAHLKVWGAXLJRQ-NWDGAFQWSA-N 302.338 -0.186 30 20 DBED C=CCn1c([C@@H]2SCCNC2=O)nnc1N1CCNC(=O)C1 1340233144 CXICCWRFXAHCQD-JTQLQIEISA-N 322.394 -0.696 30 20 DBED C=CCn1c(N(C)C[C@H](C)C(=O)NC)nnc1[C@@]1(O)CCOC1 1340772299 QRDUYFNYVBETAJ-XHDPSFHLSA-N 323.397 -0.110 30 20 DBED C=CCn1c(-c2cn(C)nn2)nnc1N1CCC(O)(CO)CC1 1350770263 ZOIBMHYCZMZGRY-UHFFFAOYSA-N 319.369 -0.417 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CCN([C@@H]2CCOC2)CC1 1350816958 GPPNMQSDTXMNMX-CHWSQXEVSA-N 311.382 -0.763 30 20 DBED C#CCN1CCN(C(=O)[C@H]2CC23CCS(=O)(=O)CC3)CC1 1352243107 MBCYTBPAMAIAAN-CYBMUJFWSA-N 310.419 -0.021 30 20 DBED C=C(C)Cn1nnnc1N1CCCN(C(=O)CNC(C)=O)CC1 1355414772 JEVXQMAKIXZOFC-UHFFFAOYSA-N 321.385 -0.576 30 20 DBED CS(=O)(=O)N1CC[C@@H](CNC(=O)C2(C#N)CCOCC2)C1 1362228187 WXGCAOHZFLFMKD-NSHDSACASA-N 315.395 -0.296 30 20 DBED Cn1c(=O)[nH]c(N2CCO[C@@H]([C@@H]3CCCO3)C2)c(C#N)c1=O 1363149489 RBMRFUHKCINSIY-WDEREUQCSA-N 306.322 -0.671 30 20 DBED CNC(=O)Cn1nc(NC(=O)N2CC[C@@](O)(CC#N)C2)cc1C 1365047625 LQFGEGTVQHRSDF-AWEZNQCLSA-N 320.353 -0.180 30 20 DBED C=C(Cl)CN[C@H](C)CNC(=O)CN1CCN(C)C(=O)C1 1366300972 CTTMIVGTKUWRBT-LLVKDONJSA-N 302.806 -0.393 30 20 DBED C[C@H](C#N)C(=O)N(C)CCN(C)C(=O)CN1CCC(=O)NC1=O 1376373029 VXMKJSUWPDIFGN-SNVBAGLBSA-N 323.353 -0.995 30 20 DBED COC[C@@H](O)CN1CC[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 1377442902 YNTYZSMNJWQXTB-YPMHNXCESA-N 306.366 -0.055 30 20 DBED CC(=O)N[C@@H](C)C(=O)NC[C@@H](C)NC(=O)c1cc(C#N)c[nH]1 1386638421 ZXYDBARPTYCKRI-BDAKNGLRSA-N 305.338 -0.355 30 20 DBED CC[C@@H](CNC(=O)CN(C)C(C)=O)NC(=O)c1cc(C#N)c[nH]1 1388018988 ODMLJCLIWYNZIG-LBPRGKRZSA-N 319.365 -0.011 30 20 DBED CCCCS(=O)(=O)CC(=O)N1CC(NC(=O)[C@@H](C)C#N)C1 1389410026 XDOPMLQWXVXIFC-JTQLQIEISA-N 315.395 -0.312 30 20 DBED C[C@H](C#N)C(=O)NC[C@@]1(C)CCN(C(=O)Cn2ncnn2)C1 1394403290 ZBAFRTXJDDGXTC-ZWNOBZJWSA-N 305.342 -0.812 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1nn(C)cc1Cl 1410115336 ATLOUZABNXPDQK-JGVFFNPUSA-N 313.745 -0.560 30 20 DBED CC[C@H](CNC(=O)CNC(=O)OC)NC(=O)c1c[nH]c(C#N)c1 1416183512 MSIOLVZNAVLTEP-SNVBAGLBSA-N 321.337 -0.133 30 20 DBED C[C@H](CNC(=O)[C@H](C)C#N)NC(=O)c1cnn2c(=O)cc[nH]c12 1416814848 YNBCHBLKMBQKNK-RKDXNWHRSA-N 316.321 -0.583 30 20 DBED CC[C@@H]1CN(C(=O)Cn2cc(C#N)c(O)nc2=O)[C@H](C)CO1 1418312883 SZAOPJRFIZXNTK-MWLCHTKSSA-N 306.322 -0.154 30 20 DBED Cc1ccc(C(=O)N(C)C[C@H](O)CNC(=O)[C@@H](C)C#N)c(O)n1 1425881492 NIFRPSBXWFKIFT-GXSJLCMTSA-N 320.349 -0.196 30 20 DBED CCN(CCNC(=O)[C@H](C)NC(C)=O)C(=O)c1c[nH]c(C#N)c1 1431590804 MJDRROZZDUOAHY-JTQLQIEISA-N 319.365 -0.011 30 20 DBED C[C@](O)(C(=O)NCCn1cc(C#N)c(O)nc1=O)C1CCC1 1434206993 JLHBKWTVKFJBRK-CQSZACIVSA-N 306.322 -0.512 30 20 DBED CCN(C)C(=O)CN1CC(N2CCN(C(=O)[C@H](C)C#N)CC2)C1 1447601213 UKAQMJSMKUFBCY-CYBMUJFWSA-N 321.425 -0.547 30 20 DBED COc1cnc(C(=O)N2CC(CNC(=O)[C@H](C)C#N)C2)nc1 1450689962 PVHSIMIXHLTGEV-SECBINFHSA-N 303.322 -0.167 30 20 DBED CCC[C@@H](NC(=O)CCn1cc(C#N)c(O)nc1=O)C(=O)OC 1456479792 YOEORPZVFMTEQQ-SNVBAGLBSA-N 322.321 -0.331 30 20 DBED CC[C@@H]1C(=O)N(CC)CCN1c1[nH]c(=O)n(C)c(=O)c1C#N 1458332498 TXOVRSCAVCPARE-SNVBAGLBSA-N 305.338 -0.608 30 20 DBED N#C[C@H]1CN(C(=O)Nc2[nH]nnc2C(=O)NC2CC2)CCO1 1467509024 OFHKFXBFLBJVJT-QMMMGPOBSA-N 305.298 -0.547 30 20 DBED Cn1c(=O)[nH]c(N2CCN(c3cnccn3)CC2)c(C#N)c1=O 1472651144 VFRCYIWSMZEZJF-UHFFFAOYSA-N 313.321 -0.938 30 20 DBED CC#CCNC[C@H]1CCCN1C(=O)CCc1nnc(O)nc1O 1482059204 KQFOFOJCEDYPRA-LLVKDONJSA-N 319.365 -0.181 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)c2ccc3nnnn3c2)CC1 1506139554 AWFNWSSUTQGCLC-SECBINFHSA-N 313.321 -0.337 30 20 DBED C=C(C)Cn1c(CCO)nnc1N1CCO[C@@H](CNC(C)=O)C1 1523952517 YSOISVJEKJQVHE-ZDUSSCGKSA-N 323.397 -0.270 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)c2cccn(CC(=O)O)c2=O)C1 1574481314 YVBHYCMWNHXBHN-CQSZACIVSA-N 305.290 -0.576 30 20 DBED N#Cc1nc(NC[C@@H]2CCN(C(N)=O)C2)cnc1-c1nn[nH]n1 1581880857 XLFPOHCNVRAVKT-ZETCQYMHSA-N 314.313 -0.659 30 20 DBED CC(=NNCCS(C)(=O)=O)c1cc(-c2nn[nH]n2)ccn1 1588777067 ALZCGSSNXRJEFY-UHFFFAOYSA-N 309.355 -0.380 30 20 DBED CCOC(=O)COCCn1c(C)nc(-c2nn[nH]n2)c1C#N 1590765467 PMZNQXYVCNPVIR-UHFFFAOYSA-N 305.298 -0.177 30 20 DBED Cn1cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](O4)[C@@H]3C2=O)cc1C(=O)O 1600945956 OEVKQLSDNDGOPM-WYUUTHIRSA-N 315.285 -0.004 30 20 DBED C=CCCOCCNC(=O)C1(C(=O)O)CCS(=O)(=O)CC1 1602721893 CYXHGHSVCCBLSU-UHFFFAOYSA-N 319.379 -0.025 30 20 DBED COC(=O)[C@@]1(C)CCN(c2cnc(-c3nn[nH]n3)c(C#N)n2)C1 1604915864 VQEASQSHGZIIRG-ZDUSSCGKSA-N 314.309 -0.082 30 20 DBED N#Cc1nc(N2CCO[C@@H](C(F)F)C2)cnc1-c1nn[nH]n1 1606390179 YCRNYRASTZPJPX-SSDOTTSWSA-N 308.252 -0.001 30 20 DBED N#C[C@H]1CC[C@@H](NC(=O)C(=O)N2C[C@@H](O)C[C@@H](C(=O)O)C2)C1 1608190442 RVFQWHLVXFXJOK-ZDCRXTMVSA-N 309.322 -0.911 30 20 DBED C#CCNC(=O)[C@@H](C)OC(=O)c1ncc(-c2nn[nH]n2)cc1C 1609021268 MYZUDVAVEXTJFT-SECBINFHSA-N 314.305 -0.135 30 20 DBED COCC#CCN1CCC[C@@H](NC(=O)c2nnc(O)nc2O)C1 1732090360 VARLQYGLMLGMJE-SNVBAGLBSA-N 321.337 -0.873 30 20 DBED CN1CC(=O)N(CC(=O)NC[C@H]2CCCCN2CC#N)C1=O 1752825277 OUJZDLJJLCWGEN-LLVKDONJSA-N 307.354 -0.625 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H](C)CCNC(=O)c1nnn(C)c1C 1753003762 BSSFZFQWOSWUOV-GHMZBOCLSA-N 320.397 -0.641 30 20 DBED CC#CCN(CCNC(=O)CS(=O)(=O)N(C)C)C1CC1 1753163076 YJIFMQORPNVRNH-UHFFFAOYSA-N 301.412 -0.518 30 20 DBED N#CCNC(=O)CN1CC(NC(=O)CC2CC(F)(F)C2)C1 1753381624 ZKRZRCDGCZXCDR-UHFFFAOYSA-N 300.309 -0.138 30 20 DBED C#CCNC(=O)CN1CC(NC(=O)C2(c3cccnc3)CC2)C1 1753385322 QETBSOXBIGIYEQ-UHFFFAOYSA-N 312.373 -0.337 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCC[C@H]1CNCc1nnnn1C 1753885471 UOEXPBQUUZFYHY-QWHCGFSZSA-N 320.397 -0.376 30 20 DBED COCC#CCNC[C@H](O)CNC(=O)CCc1ccc(O)nc1 1753924947 HMFVCNXPBIPNNZ-AWEZNQCLSA-N 321.377 -0.564 30 20 DBED COCC#CCNC[C@H](O)CNC(=O)Cc1cccc(OC)c1 1753936551 ZCXQLPIDPOXPCE-HNNXBMFYSA-N 320.389 -0.046 30 20 DBED CCN(CCN[C@H](C)C(=O)NC(=O)NC)C(=O)C#CC(C)C 1754043709 AAFQUWDYLWVLFP-GFCCVEGCSA-N 310.398 -0.072 30 20 DBED COCC#CCN1CCOC[C@@H]1CNC(=O)c1ccnnc1C 1754968273 AATHTAARBXDDQA-AWEZNQCLSA-N 318.377 -0.135 30 20 DBED CC#CCCCC(=O)N1CCN(C2CN(CC(=O)NC)C2)CC1 1755145606 VAMCLQHPSSXSNV-UHFFFAOYSA-N 320.437 -0.246 30 20 DBED C#CCN1CC(N2CCN(C(=O)CCOCCCOC)CC2)C1 1755146122 KTCFEFOMOSRZKU-UHFFFAOYSA-N 323.437 -0.109 30 20 DBED C#CCCNCC1CC(NC(=O)[C@H](C)NS(C)(=O)=O)C1 1755217899 LLSYAVHCHFVPBF-UNXYVOJBSA-N 301.412 -0.568 30 20 DBED C[C@]1(C(=O)NC[C@H]2[C@@H]3CN(CC#N)C[C@H]23)CCCS1(=O)=O 1755431179 WNCQXQFWQGRHFL-NRWUCQMLSA-N 311.407 -0.229 30 20 DBED CCO[C@@H]1C[C@@H]1C(=O)N[C@H]1C[C@H](CNCC(=O)NCC#N)C1 1755465935 BHKOEXOKLBHWGR-ZDEQEGDKSA-N 308.382 -0.464 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2C[C@H](CNCCOCCO)C2)[nH]1 1755469472 REPVWHNWQIOZDN-AULYBMBSSA-N 306.366 -0.007 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@H](CO)CNC(=O)c1ccnnc1C 1756534728 CIYHHQPOGYMFAN-RYUDHWBXSA-N 322.365 -0.417 30 20 DBED CN(C[C@H](O)CNC(=O)C#CC1CC1)C(=O)Cc1cc[nH]n1 1756657369 FTUKOQGGHZJMMB-CYBMUJFWSA-N 304.350 -0.699 30 20 DBED C#CCOCCC(=O)N(C)C1CC(NC(=O)CN(C)C(C)=O)C1 1756741227 KUUGXNKLRVUNSW-UHFFFAOYSA-N 323.393 -0.390 30 20 DBED C[C@H](NS(=O)(=O)CCOC1(C#N)CCOCC1)C(=O)O 1776453792 FIKQCPADCKIAKZ-VIFPVBQESA-N 306.340 -0.532 30 20 DBED C#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)O)C[C@@H]21 1792175528 ZYPJRFXJUHNOBJ-XUXIUFHCSA-N 308.378 -0.240 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccnn1C)C2 1800451373 ZBIHYJZKYHCBBZ-GNXNZQSNSA-N 302.334 -0.744 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(CO)o1)C2 1800453277 CUXNFIGONWFDEF-QHBPRCKVSA-N 318.329 -0.392 30 20 DBED C#CC(=O)N1CC2(CCCN2C(=O)CCc2nc(N)n[nH]2)C1 1844184569 VHOLUEFKGJCITK-UHFFFAOYSA-N 302.338 -0.844 30 20 DBED C=CCC(=O)N1CC2(CCCN2C(=O)[C@H](COC)NC(C)=O)C1 1844387469 KSDYPNJKZQESRV-ZDUSSCGKSA-N 323.393 -0.083 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@H](NC(C)=O)C(C)C)CC1 54482876 CIPZBJWOWUNFHU-OAHLLOKOSA-N 324.425 -0.407 30 20 DBED CCN1CCN(CC(=O)N(CCC#N)CCC#N)C(=O)C1=O 67230730 DYRPKANMGNNRRV-UHFFFAOYSA-N 305.338 -0.667 30 20 DBED CCCNC(=O)NC(=O)CN(C)CCCc1n[nH]c(N)c1C#N 153271886 YNNSPOLWWCASOO-UHFFFAOYSA-N 321.385 -0.036 30 20 DBED COC(=O)CN(C)CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 180492635 QDMSPSWLNKWJIJ-CYBMUJFWSA-N 310.398 -0.216 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)N2CC[C@@H](C(N)=O)C2)cc1 263804965 RLYKYQUFTFSMOG-GFCCVEGCSA-N 300.318 -0.378 30 20 DBED COC[C@H](C)N/C(N)=N/Cc1ccc(S(N)(=O)=O)cc1 264104357 NJJCPQRDFOXUBY-VIFPVBQESA-N 300.384 -0.227 30 20 DBED Cn1c(N2CCN(C3CCC3)CC2)c(C#N)c(=O)n(C)c1=O 264976684 QFGOZWJWMNINAD-UHFFFAOYSA-N 303.366 -0.370 30 20 DBED COC[C@@H](O)CCNC(=O)C(=O)N1CCc2ccc(C#N)cc21 270809471 CTFUKQKFGQXQRM-ZDUSSCGKSA-N 317.345 -0.039 30 20 DBED C=CCNC(=O)CNC(=O)CNS(=O)(=O)c1cccs1 271984329 OEKLHWPSRSHYEN-UHFFFAOYSA-N 317.392 -0.555 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)[C@@H]2CC(=O)N(CCOC)C2)C1=O 281470372 UDOGYBJSCYKMPY-OLZOCXBDSA-N 323.393 -0.273 30 20 DBED CCN(CCC/N=C(/O)N[C@H]1CCCNC1=O)S(C)(=O)=O 330446027 UPWCZBWSYQBKDA-JTQLQIEISA-N 320.415 -0.560 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)NCC2(C(N)=O)CCCC2)CCO1 337093586 NUHUKTBXQLEWTG-SNVBAGLBSA-N 316.383 -0.909 30 20 DBED CCN(CCC#N)S(=O)(=O)N[C@@H]1CCN(CCOC)C1 337167624 CMWUJWYBUIPWFE-GFCCVEGCSA-N 304.416 -0.223 30 20 DBED CCC(O)(CC)CCNS(=O)(=O)N1CCO[C@@H](C#N)C1 337176823 JPBFPFNNGRFYFL-NSHDSACASA-N 305.400 -0.014 30 20 DBED C=CCn1c(COCC)nnc1N1CCO[C@@H](C(=O)NC)C1 337810914 KWQUYSGZYNKUGM-LLVKDONJSA-N 309.370 -0.048 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1CC[C@](F)(CO)C1 338437769 QGQUHDNTNXPBLY-LLVKDONJSA-N 309.363 -0.500 30 20 DBED COC[C@H](NC(=O)NCCn1cnc(C#N)n1)[C@@H]1CCCO1 346320316 MKKUVKGTNURMHP-QWRGUYRKSA-N 308.342 -0.357 30 20 DBED C=CCN1CC[C@@H](Nc2cnn(CC(=O)NCCO)c2)C1=O 352823053 CHOMWPIJYNWJOT-GFCCVEGCSA-N 307.354 -0.810 30 20 DBED N#CCC1(O)CN(C(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)C1 408282488 XJVGCCAHPOTWLD-YRRQLQLVSA-N 315.329 -0.720 30 20 DBED CN1C(=O)CC[C@H](N[C@@H](C(N)=O)c2ccc(C#N)cc2)C1=O 424131374 UYEIQNYGAZTFFU-WCQYABFASA-N 300.318 -0.178 30 20 DBED C#CCNC(=O)CN1CCN([C@H](C)C(=O)NC2CCCC2)CC1 491072559 SUCFEZDXCOUEJJ-CQSZACIVSA-N 320.437 -0.199 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)/C=C/c2ccc[nH]2)CC1 491126497 PHAPMRDWULZCIF-AATRIKPKSA-N 300.362 -0.079 30 20 DBED C#CCN1CCN(C(=O)CN(C)[C@@H](CO)COC(C)C)CC1 491676865 ZKVJFVNLDAKYSA-HNNXBMFYSA-N 311.426 -0.519 30 20 DBED C=CCNC(=O)CNC(=O)N[C@H]1CCC[C@@H](S(C)(=O)=O)C1 537528744 RKNNHAVXHXFZKX-WDEREUQCSA-N 317.411 -0.056 30 20 DBED CC[C@@H](CO)NC(=O)CNS(=O)(=O)c1cccc(C#N)c1 567287860 UUQZTXFRBYRMEQ-NSHDSACASA-N 311.363 -0.276 30 20 DBED N#Cc1c[nH]c(=O)n(CC(=O)NC(=O)NC2CCCC2)c1=O 574202159 IGJRZWOOXMTAGQ-UHFFFAOYSA-N 305.294 -0.823 30 20 DBED C=CCOC[C@H](NC(=O)NCCCS(C)(=O)=O)C(=O)O 577810741 FDLZCEKDPUMLQB-VIFPVBQESA-N 308.356 -0.624 30 20 DBED CNC(=O)c1ccc(OC)c(NC(=O)NCC(=O)NCC#N)c1 588236411 QFQOROKSFZYQOF-UHFFFAOYSA-N 319.321 -0.184 30 20 DBED CC[C@@H](C#N)C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 593409141 LAFLQWOYILTWQY-LBPRGKRZSA-N 306.366 -0.171 30 20 DBED CC[C@@H](C#N)C(=O)N1CCN(S(=O)(=O)NC(C)C)CC1 593742647 XCLJNLWMDOWRRN-NSHDSACASA-N 302.400 -0.077 30 20 DBED C=CCNC(=O)NC(=O)CN1CCN(c2nnc(C)n2C)CC1 602942223 LXXZIKGFPITUDL-UHFFFAOYSA-N 321.385 -0.743 30 20 DBED CC#CC[C@H](CO)NC(=O)NC[C@@H]1CC[C@H](C(=O)N(C)C)O1 645413546 AVQGYZCJNLVELC-FRRDWIJNSA-N 311.382 -0.304 30 20 DBED CC#CC[C@@H](CO)NC(=O)c1nnn(-c2ccn(C)n2)c1C 649180746 LLQIQCISSKVYOU-NSHDSACASA-N 302.338 -0.187 30 20 DBED N#C[C@]1(F)CCN(CC(=O)c2c(O)nc(=O)n(C3CC3)c2N)C1 682436529 ZKHZCBORSYAUER-CQSZACIVSA-N 321.312 -0.014 30 20 DBED C[C@@](O)(CNS(=O)(=O)c1cc(F)cc(C#N)c1)C(=O)O 718532260 JLVSQIBZUHQCMQ-LLVKDONJSA-N 302.283 -0.189 30 20 DBED N#C[C@H]1CN(S(=O)(=O)c2ccccc2-c2nn[nH]n2)CCO1 737683432 KXWOSLWYZHNMSJ-VIFPVBQESA-N 320.334 -0.220 30 20 DBED C=CCS(=O)(=O)NC(=O)CN1C(=O)NC(CC)(CC)C1=O 772718057 XDNCVZCYTHNMCC-UHFFFAOYSA-N 317.367 -0.271 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2ccnn2CC)CC1 772966787 IRNZYSJTJBJNJR-UHFFFAOYSA-N 303.366 -0.590 30 20 DBED CN1CC[C@@H](C(=O)NS(=O)(=O)c2cccc(C#N)c2)C1=O 773950770 FEBDXTYKZHWENM-NSHDSACASA-N 307.331 -0.159 30 20 DBED C#CCOCCNC(=O)C(=O)Nc1cccc2c1oc(=O)n2C 785156805 IPTNDELZXMEBBX-UHFFFAOYSA-N 317.301 -0.164 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)C(C)(C)S(C)(=O)=O 785982136 UZCOIGFYWBIWIL-UHFFFAOYSA-N 306.340 -0.635 30 20 DBED CS(=O)(=O)NC(=O)CCNC(=O)c1cc(O)cc(C#N)c1 800549587 KWHKXBAZHINPKD-UHFFFAOYSA-N 311.319 -0.540 30 20 DBED C#CCCCNC(=O)C(=O)N1CCC[C@H](S(=O)(=O)NC)C1 806913289 VHEKOEYKYOLNOW-NSHDSACASA-N 315.395 -0.944 30 20 DBED C#C[C@H](NC(=O)C(=O)NCCCO[C@@H]1CCOC1)[C@@H]1CCCO1 808274138 KMSMFXPEHNJFGU-RDBSUJKOSA-N 324.377 -0.405 30 20 DBED C#CCCS(=O)(=O)N[C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O 808298901 BJTPEEAOAKTNIE-CMPLNLGQSA-N 310.379 -0.143 30 20 DBED C#Cc1cccc(N(CC(=O)NC)C(=O)COCC(=O)OC)c1 808328193 MLZVABWRAWXZCC-UHFFFAOYSA-N 318.329 -0.064 30 20 DBED C=C[C@@H](O)C(=O)OCC(=O)N(CCC(N)=O)Cc1ccccc1 814549690 GLVZPBVEJCIQEN-CYBMUJFWSA-N 320.345 -0.019 30 20 DBED NC(=O)NCc1ccc(C(=O)N[C@@H]2CCCN(O)C2=O)cc1 820476753 PPVZHRKYADCAKO-LLVKDONJSA-N 306.322 -0.035 30 20 DBED CC(C)C#CC(=O)NCCN1CCN(S(C)(=O)=O)CC1 823310867 GRVAHGOUPSUQCO-UHFFFAOYSA-N 301.412 -0.661 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@@H](CN)C1CCCC1)[C@@H]1CCCO1 842165037 ZVGSPMDVHHRORQ-IHRRRGAJSA-N 307.394 -0.083 30 20 DBED CN(C)CCCS(=O)(=O)N1CCN(C2CC2)[C@@H](C#N)C1 866777728 XDNGBKQLUYJELM-ZDUSSCGKSA-N 300.428 -0.060 30 20 DBED C#CC[C@H](CO)NS(=O)(=O)N1CCC(C(=O)OCC)CC1 882342861 IYUCSEOJXLDMTE-GFCCVEGCSA-N 318.395 -0.520 30 20 DBED C#C[C@@H](NC(=O)C(=O)N1CCc2ncncc2C1)[C@H]1CCCO1 898003714 OQDCCNGONAXWDF-TZMCWYRMSA-N 314.345 -0.342 30 20 DBED Cc1ncccc1CCNS(=O)(=O)N1CCO[C@H](C#N)C1 908357086 PRAUFUOJQTVGGM-CYBMUJFWSA-N 310.379 -0.009 30 20 DBED C#CC[C@H](CO)NC(=O)N[C@H]1CCOC[C@H]1OCCOC 922070879 OHHATQXBAIHKEK-FRRDWIJNSA-N 300.355 -0.510 30 20 DBED Cc1ccc(=O)n(CC(=O)N[C@H]2CCN(C(=O)[C@@H](C)C#N)C2)n1 938381941 SQDIMKDAZNPABF-JQWIXIFHSA-N 317.349 -0.572 30 20 DBED C#CCN1CC[C@H](NC(=O)CN2C(=O)CN(C)C2=O)[C@@H](C)C1 944790251 OVHPXLXLZWEVDG-RYUDHWBXSA-N 306.366 -0.660 30 20 DBED CN(C(=O)Cn1ccc(O)nc1=O)[C@H]1CCCN(CC#N)CC1 948591153 QSIKNMWILFUBNE-LBPRGKRZSA-N 319.365 -0.215 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CNC(=O)[C@@H]2COCCN2C)CC1 949390918 MRJANTIAIZQSNK-JSGCOSHPSA-N 322.409 -0.169 30 20 DBED CC(=O)N1CC(C(=O)NCC2CCN(C(=O)[C@H](C)C#N)CC2)C1 949391015 OTGGDIALDHPMPV-LLVKDONJSA-N 320.393 -0.021 30 20 DBED C#Cc1cncc(C(=O)NC[C@@H]2CCN2C(=O)Cn2cncn2)c1 952014873 WCHYCVAYHYJFCD-AWEZNQCLSA-N 324.344 -0.315 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)Cc1nc[nH]n1 952175498 IWUWWNOQIWTALB-TUAOUCFPSA-N 319.365 -0.345 30 20 DBED N#CCN1C[C@@H](O)[C@H](CNC(=O)c2cccc(C(N)=O)c2)C1 958190294 DUFVWAQNGDTIGN-CHWSQXEVSA-N 302.334 -0.668 30 20 DBED CC#CCN1C[C@H](CNC(=O)c2nccn3ccnc23)[C@@H](O)C1 958419162 YOWGFEFIDIHAIP-STQMWFEESA-N 313.361 -0.225 30 20 DBED Cc1c(C(=O)NC[C@H]2CN(CC#N)C[C@@H]2O)nnn1C(C)C 958549472 XIWRCCJFUFOHMT-RYUDHWBXSA-N 306.370 -0.287 30 20 DBED C#CCCN1C[C@H](O)[C@H](CNC(=O)c2cccn(C)c2=O)C1 958599388 PKQBYXUHSMYQJP-OCCSQVGLSA-N 303.362 -0.569 30 20 DBED C#CCCN1C[C@H]2C(NC(=O)c3coc(S(N)(=O)=O)c3)[C@@H]2C1 960620219 IETXDKHMVQFMRM-GHMZBOCLSA-N 323.374 -0.390 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CN(C(=O)Cc3cnoc3)CCO2)C1 965450944 DWVGTLXSXXSNBG-NSHDSACASA-N 318.333 -0.183 30 20 DBED C[C@H](C#N)C(=O)N1CCOC2(CN(C(=O)Cc3cnoc3)C2)C1 965478630 UIPKUZRIIODAFE-LLVKDONJSA-N 318.333 -0.183 30 20 DBED C#CCN1CCCCC[C@H]1CNC(=O)[C@@H]1CCS(=O)(=O)N1 969150818 MNEMQGZHCITSSZ-STQMWFEESA-N 313.423 -0.328 30 20 DBED C=CCN1CC[C@H](N[C@@H]2CCN(C(=O)Cc3nc[nH]n3)C2)C1=O 970445815 MXOQHBFJFDHFRT-NEPJUHHUSA-N 318.381 -0.675 30 20 DBED C#CCN1CCC(C(=O)N2CC[C@@H](N[C@@H]3CCNC3=O)C2)CC1 970792726 SPSDVYJGMHVKRL-HUUCEWRRSA-N 318.421 -0.589 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)[C@H]3COCCN3C)C2)C1 972347910 CNXIZCBLFXNNFC-GDBMZVCRSA-N 307.394 -0.747 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)[C@H]3CCC(=O)NC3)C2)C1 972442882 BAJQSWAEWKHPCK-XJKSGUPXSA-N 305.378 -0.551 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2[C@@H]3CN(C(=O)Cn4ccnc4)C[C@@H]32)[nH]1 976366456 GWSYXQUOVUJKAK-JYAVWHMHSA-N 324.344 -0.030 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)[C@@H](C)n3cncn3)[C@H]2C1 976381566 XWANZABYEFRYOI-JCIQBVFBSA-N 302.338 -0.428 30 20 DBED C#CCCN1C[C@H]2[C@H](CNC(=O)[C@@H]3CN(C(C)=O)CCO3)[C@H]2C1 979013979 LGXGMKPRHRZVGG-JONQDZQNSA-N 319.405 -0.449 30 20 DBED C#CCN1C[C@H]2C(CNC(=O)C3CCN(C(N)=O)CC3)[C@@H]2C1 979050292 TWYSQIFXMSJUNJ-KBPBESRZSA-N 304.394 -0.296 30 20 DBED C[C@H](NCc1cccc(C#N)c1)[C@@H]1CN(C(=O)C(N)=O)CCO1 979357603 KWZPROOGWJHZPV-FZMZJTMJSA-N 316.361 -0.251 30 20 DBED C#CCN[C@H]1CN(C(=O)[C@H]2CCN(C)S2(=O)=O)CC1(C)C 996403644 XBZLSZJAOUWEAI-NEPJUHHUSA-N 313.423 -0.520 30 20 DBED NC(=O)Cc1occc1C(=O)NC1CN(C(=O)C#CC2CC2)C1 998518356 DIOGMHXNFSDDLB-UHFFFAOYSA-N 315.329 -0.339 30 20 DBED C[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1NC(=O)C(N)=O 1005209167 YOFFPYJQDWWDHT-LDYMZIIASA-N 303.322 -0.662 30 20 DBED N#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)CCn1cnccc1=O 1018115105 AEAFCCHJYGEWLW-BETUJISGSA-N 301.350 -0.168 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(F)nc2)C1 1023214755 MOPVXLQPEQHYQS-FBIMIBRVSA-N 306.297 -0.318 30 20 DBED C=C[C@](C)(CC)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2nc[nH]n2)C1 1025109661 MPEYJUILYAFTCW-GPCCPHFNSA-N 307.354 -0.292 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)C[C@@H]3CCN(C)C3)C2)C1=O 1031260155 MLXBXUQEUQTXHD-DZGCQCFKSA-N 320.437 -0.085 30 20 DBED C=C(Cl)CN1CC(CNC(=O)c2cn(C)c(=O)nc2O)C1 1032179938 JHXAARMMAKDFPD-UHFFFAOYSA-N 312.757 -0.100 30 20 DBED C=CCN1CC[C@@H](N2CC(CNC(=O)[C@@H]3CCN(C)C3)C2)C1=O 1032186362 OYLDQZDWPFMGHD-HUUCEWRRSA-N 320.437 -0.227 30 20 DBED CC#CCN1CCO[C@H](CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 1035414928 DOUGTUZUQQXSSR-RBSFLKMASA-N 309.410 -0.454 30 20 DBED C=CCN1CCO[C@H](CNC(=O)c2ccn3nnnc3c2)C1 1035473890 WQFKDGDHQZOWBY-GFCCVEGCSA-N 302.338 -0.259 30 20 DBED C=C(C)CN[C@H]1CCN(C(=O)Cn2ncn(C)c2=O)C[C@@H]1C 1036079654 HNVZFOJZPAHCTN-STQMWFEESA-N 307.398 -0.016 30 20 DBED C=CCN1CC[C@@H]2CN(C(=O)CN3CC(=O)N(C)C3=O)CC[C@H]21 1036868243 JGJROXOZCLYXNV-CHWSQXEVSA-N 320.393 -0.011 30 20 DBED C=C(C)CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)CN1CCN(C)C(=O)C1 1037464668 SZLMGYCPKVAFBN-JKIFEVAISA-N 320.437 -0.085 30 20 DBED Cc1nn[nH]c1C(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1O 1041282970 FLQBTCPDBPJKPP-VXGBXAGGSA-N 313.321 -0.641 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)C[C@@H]2CCC(=O)N2)C1 1041956353 HJEAPMLMWZLGBI-NSHDSACASA-N 309.366 -0.689 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)c2nnn(C)c2C)C1 1042280997 ZOHSQAIQPCTPPE-UHFFFAOYSA-N 321.381 -0.361 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)c2cc[nH]c2C)C1 1042425573 XGPOTQFQNWKUMO-UHFFFAOYSA-N 307.350 -0.171 30 20 DBED N#Cc1ccc(C(=O)NCC2(O)CN(C(=O)CCCF)C2)[nH]1 1042609567 ZMNJCIUIOZSPPV-UHFFFAOYSA-N 308.313 -0.061 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)C1CN([C@@H](C)C(=O)NC)C1 1042964031 ZLRXAGBMDAJQRQ-JSGCOSHPSA-N 306.410 -0.639 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)c2nccs2)C1 1043033209 UFFQDGUNBPRHLY-UHFFFAOYSA-N 323.374 -0.514 30 20 DBED C#CCN1CC(N(C)C(=O)c2ccc(=O)n(CCOC)n2)C1 1043277061 WLYZIMRBNWGLKE-UHFFFAOYSA-N 304.350 -0.721 30 20 DBED O=C(COCC(F)F)NCC1(O)CN(C(=O)C#CC2CC2)C1 1043960522 BERXGSDNILTKQM-UHFFFAOYSA-N 316.304 -0.629 30 20 DBED C=CCCN1CC(N(C)C(=O)C2CC3(C2)NC(=O)NC3=O)C1 1044039741 QEFMINBAMXKIHO-UHFFFAOYSA-N 306.366 -0.307 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)C2(C(=O)NC)CC2)C1 1044460219 MPPZRMLGKYGAKU-UHFFFAOYSA-N 323.393 -0.586 30 20 DBED Cn1nnc(CNC[C@@H]2CCCN2C(=O)c2c[nH]c(C#N)c2)n1 1045001836 ATINMNAHMYELAG-LBPRGKRZSA-N 314.353 -0.196 30 20 DBED CC(C)[C@@H](C(=O)N1CC(O)(CNC(=O)[C@@H](C)C#N)C1)N(C)C 1045545711 AUEIXIGJANHPTM-RYUDHWBXSA-N 310.398 -0.578 30 20 DBED Cc1ncccc1C(=O)N1CC(O)(CNC(=O)[C@H](C)C#N)C1 1045545969 FZFBHKUJMQBCGV-SNVBAGLBSA-N 302.334 -0.147 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)Cc2cncs2)C1 1045552606 UBKUPYWKOZKGTO-VIFPVBQESA-N 308.363 -0.465 30 20 DBED C=CCN1[C@H]2CC[C@H]1CN(C(=O)Cn1ncn(C)c1=O)CC2 1045804852 KSFPREJOJYDOLX-STQMWFEESA-N 305.382 -0.167 30 20 DBED CCn1nncc1C(=O)N1CCN([C@@H]2CCN(CC#N)C2)CC1 1046029614 XDWZONBRODBNCY-CYBMUJFWSA-N 317.397 -0.346 30 20 DBED C=CCn1cc(C(=O)N[C@@]2(C)CCN(CC(=O)NC)C2)nn1 1046682284 YIIAKBZFPRZYMS-AWEZNQCLSA-N 306.370 -0.596 30 20 DBED N#CCN1CCC(F)(F)[C@H](CNC(=O)[C@H]2COCCO2)C1 1046918991 MXLSKQATWRQSTH-GHMZBOCLSA-N 303.309 -0.001 30 20 DBED C=CCOCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC(N)=O)C2 1047398967 HETJLFCHGUJQPX-TUAOUCFPSA-N 309.366 -0.440 30 20 DBED COCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C#CC2CC2)C1 1048821369 LXGAQGVOVINCMF-KBPBESRZSA-N 308.378 -0.144 30 20 DBED N#CCN1C[C@@H]2CCCN(C(=O)CC3CS(=O)(=O)C3)[C@@H]2C1 1050078817 SOVWMNDRKPLMBV-QWHCGFSZSA-N 311.407 -0.133 30 20 DBED C#CCN1CCC(C(=O)NC[C@@H]2COCCN2C[C@H](C)O)CC1 1051256643 XUNWCYWRWLEZTQ-GOEBONIOSA-N 323.437 -0.471 30 20 DBED N#Cc1cc(C(=O)N2CCO[C@@H](CN[C@@H]3CCNC3=O)C2)c[nH]1 1051561989 DOPXCMTUOQQQMM-QWHCGFSZSA-N 317.349 -0.795 30 20 DBED C#CCCN1CCC[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)CC1 1052454585 DJLYMCUOMHQGCB-RYUDHWBXSA-N 306.366 -0.422 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)[C@H]1CN(C)C[C@@H](C)O1)CCO2 1053303919 AVJSBCRDARDPQU-HUUCEWRRSA-N 321.421 -0.358 30 20 DBED C#CCN1CC2(C1)CN(C(=O)[C@@H]1CCC[C@H](C(N)=O)C1)CCO2 1053452963 KEBAXQFJIQYOPS-UONOGXRCSA-N 319.405 -0.176 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)[C@@H]3CCCCN3C(N)=O)CO2)C1 1053980481 OYIFJFSNCFPZJI-RYUDHWBXSA-N 321.381 -0.597 30 20 DBED CCn1ncc(C(=O)N2CCN(c3cnc(C#N)cn3)CC2)n1 1055797231 LODPCIBNKVGMDW-UHFFFAOYSA-N 312.337 -0.078 30 20 DBED CC(C)[C@@H](O)C(=O)N[C@]1(CO)CCCN(C(=O)C#CC2CC2)C1 1055921418 XIKXEGBFYAPFDJ-NVXWUHKLSA-N 322.405 -0.114 30 20 DBED N#Cc1cnccc1N1C[C@H]2C(NC(=O)[C@@H]3COC(=O)N3)[C@@H]2C1 1056193675 GTQYNFUHLHFNSY-MXWKQRLJSA-N 313.317 -0.388 30 20 DBED N#Cc1cccnc1N1C[C@@H]2C(NC(=O)Cn3nccn3)[C@H]2C1 1056316103 QCLDJLMXTGSWAK-RYUDHWBXSA-N 309.333 -0.204 30 20 DBED Cn1cncc1CC(=O)N1CC[C@@H](N=c2cc[nH]c(C#N)n2)C1 1056670680 NSHKVRWDECUREW-LLVKDONJSA-N 311.349 -0.241 30 20 DBED C=CCCO[C@H](C)C(=O)NCCN(CCO)C(=O)CCOC 1056730810 JLEQLMDKTRZDNQ-CYBMUJFWSA-N 316.398 -0.059 30 20 DBED C#CCN1CCC(C(=O)NCCN(CCO)C(=O)C2CC2)CC1 1056759377 XXWPRGFPXLQWPJ-UHFFFAOYSA-N 321.421 -0.321 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)CCn1cncn1 1056991795 JXTHEAQSEXBKNO-UHFFFAOYSA-N 321.381 -0.735 30 20 DBED CN(c1ncccc1C#N)[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 1057018116 YKIXYBKPGWGIHZ-NEPJUHHUSA-N 314.349 -0.328 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)c1cn(C)nc1C 1057224886 MZOOXZPTNWPJCX-UHFFFAOYSA-N 324.381 -0.518 30 20 DBED C#CCO[C@H](C)C(=O)NCCN(CCO)C(=O)[C@@H](C)OCC#C 1057584122 FOVXTDHQURDKMM-ZIAGYGMSSA-N 324.377 -1.000 30 20 DBED Cn1cc(C(=O)NC2CCN(c3cnc(C#N)cn3)CC2)nn1 1057865942 JLHRVIBNFFULDB-UHFFFAOYSA-N 312.337 -0.124 30 20 DBED CN1CC[C@@H](C(=O)N[C@@H]2CCN(c3cnc(C#N)cn3)C2)C1=O 1058515062 UGQQDMYDDPXNDX-PWSUYJOCSA-N 314.349 -0.479 30 20 DBED CN1C[C@H](C(=O)N[C@H]2CCN(c3ccnc(C#N)n3)C2)CC1=O 1058578723 ZXWVYWLMBNUTPT-MNOVXSKESA-N 314.349 -0.479 30 20 DBED COc1ccc(C(=O)NCCN(CCO)C(=O)[C@H](C)C#N)o1 1058654817 IXMHRTJWSGWPMP-SNVBAGLBSA-N 309.322 -0.001 30 20 DBED COC[C@@H](OC)C(=O)N(CCO)CCNC(=O)C#CC(C)C 1058758895 ZMQUQCHTEBRYBH-CYBMUJFWSA-N 314.382 -0.756 30 20 DBED CN1C[C@@H](C(=O)N2CC[C@H](N=c3cc[nH]cc3C#N)C2)CC1=O 1059097649 KVALQIAAGXOFFG-AAEUAGOBSA-N 313.361 -0.134 30 20 DBED C=CCOCC(=O)NCC[C@@H]1CCN(C(=O)c2cnnn2C)C1 1059572411 PJBVGHOOVMVKGF-GFCCVEGCSA-N 321.381 -0.014 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](CNc2ccc3nnnn3n2)C1 1060824361 FEPDXHZBZJISNL-ZJUUUORDSA-N 300.326 -0.061 30 20 DBED C=CCO[C@H](C)C(=O)NC[C@H]1COCCN1C(=O)CCOC 1061668530 RRZPTMGSWQHMHW-OLZOCXBDSA-N 314.382 -0.042 30 20 DBED N#Cc1ccc(N2CC[C@H](CNC(=O)[C@@H]3CNC(=O)N3)C2)cn1 1061717784 JNRYGIBGVOUTDU-MFKMUULPSA-N 314.349 -0.423 30 20 DBED C=CCCC(=O)N1CCOC[C@H]1CNC(=O)C1(C(N)=O)CC1 1061838362 ITBVSRMUAIPJKO-LLVKDONJSA-N 309.366 -0.438 30 20 DBED N#Cc1nccnc1N1C[C@@H]2C[C@H]1CN2C(=O)CCc1cnn[nH]1 1062584163 JVAZNNGMCGESJR-RYUDHWBXSA-N 324.348 -0.111 30 20 DBED N#Cc1ccc(NCC[C@@H]2CCCN(C(=O)C(N)=O)C2)nn1 1063291783 AGHFWRVFPNJNEK-JTQLQIEISA-N 302.338 -0.126 30 20 DBED CC[C@H]1CN(C(=O)C(N)=O)CC[C@H]1N=c1cc[nH]cc1C#N 1064413434 VHAZIJDNWNYIFV-GXFFZTMASA-N 301.350 -0.101 30 20 DBED N#Cc1cncc(NC[C@@H]2CCCN2C(=O)[C@H]2COC(=O)N2)n1 1064902607 RMXJLKVTVAFHER-WDEREUQCSA-N 316.321 -0.140 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCO[C@@H](CNC(=O)c2cnon2)C1 1065096860 LOYNHCIQDZVAQD-HZMBPMFUSA-N 324.337 -0.646 30 20 DBED C[C@]1(NC(=O)[C@H]2CCC(=O)N2)CCN(c2ccnc(C#N)n2)C1 1065224786 OYRRJNCUEAEMHG-BMIGLBTASA-N 314.349 -0.288 30 20 DBED CNC(=O)NCCC(=O)N[C@@H]1CCCN(C(=O)[C@H](C)C#N)CC1 1066131520 PBRMGXLTXNJMJR-VXGBXAGGSA-N 323.397 -0.038 30 20 DBED C#CCNC(=O)CC(=O)N1CC2(C[C@H](NC(=O)C3CC3)CO2)C1 1068641633 FMDRZDVGBKHDCG-LBPRGKRZSA-N 319.361 -0.978 30 20 DBED CC(=O)N(C)CC(=O)N[C@H]1COC2(C1)CN(C(=O)[C@@H](C)C#N)C2 1068710269 AUFSCBWIRMGRCZ-CMPLNLGQSA-N 322.365 -0.890 30 20 DBED C=C[C@@](C)(O)CC(=O)NC1(CC)CCN(C(=O)C(N)=O)CC1 1069578505 VIQUWLFVJTWKEL-CQSZACIVSA-N 311.382 -0.314 30 20 DBED C=C(Cl)CN1C[C@H]2C[C@@H]3CN(C(=O)CC(N)=O)C[C@@]3(C1)O2 1070776800 VSMWYTKMAIDION-JTNHKYCSSA-N 313.785 -0.084 30 20 DBED C=CCCN1C[C@H]2C[C@H]3CN(C(=O)[C@H]4C[C@H]4C(N)=O)C[C@@]3(C1)O2 1070855870 YCTBJTHHEVFVRW-GMIGGYDBSA-N 319.405 -0.014 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)c2ccnnc2C)CC1 1070977732 FUACLWFQHVZFFM-UHFFFAOYSA-N 315.377 -0.318 30 20 DBED CO[C@@H](C)C(=O)N1CCC[C@@H](N2CCN(CC#N)CC2=O)C1 1071257114 RHUWRMJKGSBQTD-QWHCGFSZSA-N 308.382 -0.320 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(C(=O)c2cn[nH]c2)C[C@H]1C 1071671622 DQSZZPBLJJWIRN-ZYHUDNBSSA-N 317.349 -0.874 30 20 DBED C#CCCN1C[C@H](NC(=O)Cn2nc(C)n(C)c2=O)CC[C@H]1C 1072033834 PLQDBNIZQSAFPU-TZMCWYRMSA-N 319.409 -0.117 30 20 DBED N#CCN1CCC2(C1)CN(C(=O)[C@@H]1CN3CCC[C@@H]3CO1)C2 1072760936 VPWPZRGSFKFGRN-KGLIPLIRSA-N 304.394 -0.093 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)CN3CCCNC3=O)C[C@H]21 1074284992 UNPIQONUKGYFLP-KGLIPLIRSA-N 320.393 -0.663 30 20 DBED C=CCN1CCO[C@@H]2CCN(C(=O)c3c[nH]c(=O)cn3)C[C@@H]21 1074323232 BJDOCWIJXMQQBZ-QWHCGFSZSA-N 304.350 -0.129 30 20 DBED C=CCOCC(=O)N[C@@H](C)CCNC(=O)[C@H]1CCCC(=O)N1 1076996358 SXFIJYNQABGEKR-NWDGAFQWSA-N 311.382 -0.131 30 20 DBED CN1CC(=O)N(CC(=O)N[C@@H]2C[C@@H](NCC#N)C23CCC3)C1=O 1078802613 GDLSLHBBXZBUKJ-GHMZBOCLSA-N 319.365 -0.579 30 20 DBED CCN(C(=O)CSCC#N)C1CN(C(=O)[C@@H]2CCC(=O)N2)C1 1079341902 RNTJPXPVGXKJFW-NSHDSACASA-N 324.406 -0.419 30 20 DBED C=CCOCC(=O)N(CC)C1CN(C(=O)[C@H]2CCNC2=O)C1 1079493985 NYXXCTFCTMHKRD-LBPRGKRZSA-N 309.366 -0.616 30 20 DBED CCN(C(=O)C1(C(N)=O)CC1)C1CN(C(=O)C#CC(C)C)C1 1080396770 OULSQGNGEVPFAR-UHFFFAOYSA-N 305.378 -0.029 30 20 DBED COCCC(=O)NC[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1O 1081149960 PCIOIQUCRGWESQ-AAEUAGOBSA-N 320.349 -0.528 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@H]2CCc3cncn3C2)[C@H](OC)C1 1081871093 XPNXXBHMQJIAGI-NWANDNLSSA-N 302.378 -0.106 30 20 DBED C[C@H](C#N)C(=O)N1CCCC[C@H]1CNC(=O)Cn1nccn1 1082267628 VURJYDFSDSINLB-NEPJUHHUSA-N 304.354 -0.065 30 20 DBED C=C(C)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CC(=O)NC(=O)N1 1083208832 DWDCSUIJLIZMSS-SDDRHHMPSA-N 322.365 -0.928 30 20 DBED CN1CCCC[C@@H](C(=O)N2CCO[C@@H]3CN(CC#N)C[C@@H]32)C1=O 1083246730 HIETZQSJAYFRCF-HZSPNIEDSA-N 320.393 -0.320 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)Cc2ccc3c(c2)NC(=O)C3)C1 1083533134 APEAVFAHSHEXLE-KGLIPLIRSA-N 314.345 -0.591 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2ccc(-n3cncn3)nc2)C1 1083685807 NKEVETVXXFNOEN-OLZOCXBDSA-N 312.333 -0.930 30 20 DBED C=CCN1CC[C@@H]2CN(C(=O)[C@H]3COCCN3C(C)=O)[C@@H]2C1 1084842602 VWZFTSKZHOJZFU-RBSFLKMASA-N 307.394 -0.048 30 20 DBED CN(C[C@H]1CCN1CC#N)C(=O)c1ccc(S(N)(=O)=O)o1 1085696493 LDRJJKNAIAGTHA-SECBINFHSA-N 312.351 -0.403 30 20 DBED C[C@@H]1[C@@H](NC(=O)[C@H]2CCc3nnc(O)n3C2)CCN1CC#N 1088676345 BPYQFRZJLUESBW-VWYCJHECSA-N 304.354 -0.351 30 20 DBED C[C@H](C[C@@H](C)NC(=O)c1nnn(C)n1)N=c1cc[nH]c(C#N)n1 1089452033 WTHDJGDGERLVDS-RKDXNWHRSA-N 315.341 -0.697 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2cn(C(C)(C)C)nn2)[C@H](O)C1 1090315418 JHBKEGGOCQKHAO-DGCLKSJQSA-N 305.382 -0.169 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2ccn(C)c(=O)c2)[C@H](O)C1 1090368943 UAQDHFLCGFVONR-ZIAGYGMSSA-N 303.362 -0.426 30 20 DBED CC#CCN1CC[C@H](NC(=O)Cc2ccc(O)nc2)[C@@H](O)C1 1090441043 IQDFTGCKKFLXER-KBPBESRZSA-N 303.362 -0.096 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2cccc(C(N)=O)n2)[C@@H](O)C1 1090838262 CNHUHYJVZBGNRJ-RISCZKNCSA-N 316.361 -0.631 30 20 DBED CCN(C)CCC(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1091137561 MEVNZWRTLNYDMK-OLZOCXBDSA-N 318.381 -0.644 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCN(c2nccn3nnnc23)CC1 1093179339 ZIAFAMKKZBRHBG-NSHDSACASA-N 315.337 -0.794 30 20 DBED C#CCOCCC(=O)NC1[C@H]2CN(c3nccnc3C#N)C[C@H]12 1093312617 YZVKABWGIXKKJP-RYUDHWBXSA-N 311.345 -0.061 30 20 DBED C=CCCN1CC(n2cc(CNC(=O)c3cnn(C)n3)nn2)C1 1094326964 WCPLYHFLTSFWLZ-UHFFFAOYSA-N 316.369 -0.231 30 20 DBED C=CCN1CCN(C(=O)c2nc(C)c[nH]2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094667309 MSLSYGDSRZDHAU-NWDGAFQWSA-N 324.406 -0.172 30 20 DBED CN(C(=O)CC(N)=O)C1CCN(c2nccnc2C#N)CC1 1096099481 NEETUUYKDHSTMG-UHFFFAOYSA-N 302.338 -0.349 30 20 DBED N#Cc1cnc(N[C@@H](CNC(=O)[C@@H]2CNC(=O)N2)C2CC2)cn1 1096800858 PLELSRQYIIRXEF-QWRGUYRKSA-N 315.337 -0.664 30 20 DBED N#Cc1cncc(N[C@H]2C[C@H](NC(=O)C(=O)NCC3CC3)C2)n1 1097056114 FJDXISHJCBLFFJ-XYPYZODXSA-N 314.349 -0.066 30 20 DBED C[C@@H](NC(=O)CC(N)=O)[C@H]1CCCN(c2ccnc(C#N)n2)C1 1097515381 NQWHORJAJYVKFC-MNOVXSKESA-N 316.365 -0.055 30 20 DBED C[C@@H](CNC(=O)c1ccc(=O)n(C)n1)Nc1cnc(C#N)cn1 1097850948 IFSRDSONMXDDEC-VIFPVBQESA-N 313.321 -0.328 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCC(=O)N1C)Nc1nccnc1C#N 1098231196 YWAOFDKTLPOQTN-GXSJLCMTSA-N 302.338 -0.114 30 20 DBED C[C@@H](CNC(=O)c1cccc(=O)n1C)N=c1cc[nH]c(C#N)n1 1098272254 DJABJUIZUHLPSR-JTQLQIEISA-N 312.333 -0.301 30 20 DBED C#CCCN1C[C@H](NC(=O)CNC(N)=O)CC2(CCOCC2)C1 1099562235 SJMADPCOAPYZNN-CYBMUJFWSA-N 322.409 -0.335 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CN(CC(N)=O)CC2(CCOCC2)C1 1099574426 FLJWNYIJIZRJAQ-NWDGAFQWSA-N 308.382 -0.381 30 20 DBED C=CCCCN1CC[C@H](NC(=O)CN2CCOCC2)[C@@H](O)C1 1099779193 XSCVDEDFHQMYFN-GJZGRUSLSA-N 311.426 -0.164 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CN(C)C(=O)C(C)C)[C@H](O)C1 1099861759 YJOUAFNPPVYGPE-ZIAGYGMSSA-N 309.410 -0.325 30 20 DBED C=CCN1CC[C@H](NC(=O)CS(=O)(=O)CC(C)C)[C@H](O)C1 1099895570 YKJHFJSWXLVRIU-QWHCGFSZSA-N 318.439 -0.205 30 20 DBED CCN(CCNC(=O)CCNC(N)=O)c1ccnc(C#N)n1 1100528984 BXUCDTRFUPAZEY-UHFFFAOYSA-N 305.342 -0.651 30 20 DBED C#CCCN1C[C@@H](C)[C@H](CNC(=O)CCCS(N)(=O)=O)C1 1102296972 CLOXBKYLHMYPBD-CHWSQXEVSA-N 315.439 -0.238 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H]2C[C@H]1CN2c1nc(C)ns1 1102546638 KMSLFPDFCSWCEH-QWRGUYRKSA-N 319.390 -0.224 30 20 DBED C#CCN1C[C@@H](C)[C@H](CNC(=O)CCS(=O)(=O)N(C)C)C1 1102593769 LBMZTYIFZXNPKQ-CHWSQXEVSA-N 315.439 -0.415 30 20 DBED CNC(=O)CC(=O)NC[C@@H]1CN(c2ccc(C#N)nc2)CCO1 1104308940 YMSHGCKSWKFAHU-CYBMUJFWSA-N 317.349 -0.589 30 20 DBED CN1CCC[C@@H]1C(=O)NC[C@@H](O)CNc1ccc(C#N)nn1 1105756601 WZSHSCRCJQPLDI-NWDGAFQWSA-N 304.354 -0.669 30 20 DBED CC[C@@H](C)OCC(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1 1105791251 SHOVFCNIYBCCQC-GHMZBOCLSA-N 307.354 -0.526 30 20 DBED CC(C)[C@@H](C(=O)NC[C@@H](O)CNc1cnc(C#N)cn1)N(C)C 1105917995 UDDSKVQTKPCAEL-JSGCOSHPSA-N 320.397 -0.177 30 20 DBED N#Cc1nccnc1NC[C@H](O)CNC(=O)CO[C@H]1CCOC1 1105972379 IKKIQAGEFXTMRW-MNOVXSKESA-N 321.337 -0.957 30 20 DBED C[C@@H]1OCCO[C@@H]1C(=O)NC[C@H](O)CNc1ccc(C#N)cn1 1106162278 XJGZEHGUWQFBEE-SUHUHFCYSA-N 320.349 -0.354 30 20 DBED C[C@H](CCNc1nccnc1C#N)NC(=O)[C@H]1COC(=O)N1 1106313765 QFQLSYPNOHAQJI-PSASIEDQSA-N 304.310 -0.237 30 20 DBED C#CCN1CC(n2cc(CNC(=O)C[C@](C)(O)C3CC3)nn2)C1 1107160881 NXPAKLOIMXFETC-INIZCTEOSA-N 317.393 -0.065 30 20 DBED C#CCCCC(=O)NCc1cn(C2CN([C@H](C)C(N)=O)C2)nn1 1107164267 YMSWQBSQTBMKGQ-LLVKDONJSA-N 318.381 -0.572 30 20 DBED C[C@H](CNc1ncccc1C#N)NC(=O)C[C@@H]1CC(=O)NC1=O 1107826267 YHOTUWLYGYCSEI-MWLCHTKSSA-N 315.333 -0.077 30 20 DBED C#CCCN1CCO[C@](C)(CNC(=O)[C@@H]2CN(C)CCO2)C1 1107839083 JTTHBLKUTLFOMA-GOEBONIOSA-N 309.410 -0.453 30 20 DBED C=CCN1CCO[C@@](C)(CNC(=O)CN(C)C(=O)COC)C1 1107979527 IBXQLXPHZOHBCU-HNNXBMFYSA-N 313.398 -0.516 30 20 DBED C=CCN1CCO[C@@](C)(CNC(=O)CCNS(C)(=O)=O)C1 1107980538 UCAXZSXPRPLZSC-ZDUSSCGKSA-N 319.427 -0.681 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)c2cc(=O)c(OC)c[nH]2)C1 1108073922 XKEQQIYQOLMEHO-INIZCTEOSA-N 319.361 -0.163 30 20 DBED CC(=O)N1CCC[C@@H]1C(=O)NC[C@]1(C)CN(CC#N)CCO1 1108427345 YASHHWHJXYRGRM-UKRRQHHQSA-N 308.382 -0.272 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCN(CC)[C@H]2CS(=O)(=O)C[C@H]21 1108471619 NODFOQBQUZHDMZ-OUCADQQQSA-N 316.423 -0.357 30 20 DBED N#CCN1CC(N2C[C@H](NC(=O)CCc3cn[nH]c3)CC2=O)C1 1108580996 YTIKEUPSCSEKRN-GFCCVEGCSA-N 316.365 -0.733 30 20 DBED C=CCNC(=O)CN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cnn[nH]1)C2 1108719318 NWBVNBRNBUNBIT-SRVKXCTJSA-N 318.381 -0.310 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H](C)CN(C)c1nccn2nnnc12 1109102167 MYHYGKCLXXISKF-GHMZBOCLSA-N 317.353 -0.502 30 20 DBED CNC(=O)NCC(=O)N[C@@H](C)CN(C)c1cncc(C#N)n1 1109287155 GNRXVVCVBWUCLZ-VIFPVBQESA-N 305.342 -0.782 30 20 DBED CNC(=O)CC(=O)N[C@H]1[C@H]2C[C@H]1N(c1cnc(C#N)cn1)C2 1109699509 LICVHFORMUDWTP-HNXYLICVSA-N 300.322 -0.822 30 20 DBED N#Cc1cncc(NC2(CNC(=O)[C@@H]3COCCO3)CC2)n1 1110058493 LWRNBUDLRHMEIZ-NSHDSACASA-N 303.322 -0.176 30 20 DBED CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H](C)C#N 1110395027 UFJAAYFCAQBZOC-QCNOEVLYSA-N 321.381 -0.287 30 20 DBED COCC#CCN1C[C@@H]2CCC[C@]2(NC(=O)Cn2nccn2)C1 1111759741 GJPQYELAXVHOET-HOCLYGCPSA-N 317.393 -0.101 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)C[C@H]2CCN(C)C2)CC1 1113536223 JGIFWULSWBPEAA-LSDHHAIUSA-N 320.437 -0.390 30 20 DBED CC(C)NC(=O)CN1C[C@H]2[C@H](NC(=O)CSCC#N)[C@H]2C1 1113891298 PFXCZNWHWODYJD-YABSGUDNSA-N 310.423 -0.186 30 20 DBED COCCCNC(=O)CN1C[C@@H]2C(NC(=O)C#CC(C)C)[C@H]2C1 1114239315 DNJDIQFGWUDRAD-KBPBESRZSA-N 321.421 -0.155 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)[C@]3(COC)CCOC3)[C@H]2C1 1114630402 ZKVCSPBLMUHJII-HWMZRRJGSA-N 322.405 -0.264 30 20 DBED CC#CCCCC(=O)N[C@H]1[C@@H]2CN(CC(=O)NC(N)=O)C[C@@H]21 1114718656 SGXFHRPGGOODDG-YABSGUDNSA-N 306.366 -0.579 30 20 DBED C[C@@H](OC(=O)CC[C@@H]1NC(=O)NC1=O)C(=O)N(C)CCC#N 1115818693 QLFLGJQXWYIJFC-BDAKNGLRSA-N 310.310 -0.722 30 20 DBED N#Cc1cccc([C@H]2CN(C(=O)C(=O)NC3CNC3)CCO2)c1 1117981493 XBLYBNWNDBXOFJ-CQSZACIVSA-N 314.345 -0.454 30 20 DBED C[C@@H](CN(C)C(=O)[C@H]1CN(C)C(=O)N1)N=c1cc[nH]cc1C#N 1120409220 PXHYWXXOZFFGQP-GXFFZTMASA-N 316.365 -0.342 30 20 DBED Cc1cc(=N[C@H](CO)CNC(=O)c2ccnn2C)c(C#N)c[nH]1 1121178297 RZJXOZYSQWKDRE-LBPRGKRZSA-N 314.349 -0.380 30 20 DBED Cc1cc(C#N)nc(N[C@@H](CO)CNC(=O)[C@@H]2CCCO2)n1 1121183115 JFDDJGNBYNTGFW-NEPJUHHUSA-N 305.338 -0.275 30 20 DBED C[C@H](C(=O)NC[C@@H](CO)Nc1cnc(C#N)cn1)n1cccn1 1121213166 NHJQPIOQWCZWGF-PWSUYJOCSA-N 315.337 -0.305 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)C[C@H]2CCC(=O)N2)nc1 1121771544 UVFFGYMIZBAZLG-VXGBXAGGSA-N 317.349 -0.489 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)CCc2cn[nH]c2)nn1 1122703304 CAGICRWBYCNIMH-LBPRGKRZSA-N 315.337 -0.407 30 20 DBED C#CCO[C@@H](C)C(=O)OCc1cn([C@@H]2COC[C@H]2OC)nn1 1123381545 FETYXCZITQPHQM-CYZMBNFOSA-N 309.322 -0.054 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)[C@@H](C)n2cccn2)C1=O 1123918127 LESLYQIQCPURPP-OLZOCXBDSA-N 305.382 -0.063 30 20 DBED CC(=O)NCC(=O)N(C)C[C@H](O)CNc1ccc(C#N)c(C)n1 1124086693 PTKUFNMBNMAWKZ-CYBMUJFWSA-N 319.365 -0.371 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)c1cc(C)[nH]n1 1124229084 KEXDHXVVYXEXLB-UHFFFAOYSA-N 306.370 -0.200 30 20 DBED CN(C[C@H](O)CNc1cnc(C#N)cn1)C(=O)Cc1ncc[nH]1 1124482643 GTTYHJYLJVWKSQ-LLVKDONJSA-N 315.337 -0.455 30 20 DBED CN(C[C@H](O)CNc1cnc(C#N)cn1)C(=O)c1cnco1 1124621542 IDFVAYGBWXEYQC-SNVBAGLBSA-N 302.294 -0.119 30 20 DBED CN(CCOCCNc1ccc(C#N)nn1)C(=O)c1cnn[nH]1 1127515529 XZCBXLJJNTZRFK-UHFFFAOYSA-N 316.325 -0.333 30 20 DBED CC#CCN1CCn2ncc(CNC(=O)CCNC(N)=O)c2C1 1128571336 PMPZISSSXKBNFE-UHFFFAOYSA-N 318.381 -0.603 30 20 DBED CO[C@H](C)CCC(=O)N1C[C@H](n2ccnn2)[C@H](NCC#N)C1 1129757083 VDDHDYVUWXZVHF-UPJWGTAASA-N 306.370 -0.042 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cnc2n1CCCCC2 1130178387 QDTIUOYJWCFNDN-UHFFFAOYSA-N 317.393 -0.322 30 20 DBED COCCC(=O)NCc1nc([C@@H]2C[C@H](OC)CN2CC#N)n[nH]1 1130253614 GKCMMJAFWYFTSW-QWRGUYRKSA-N 322.369 -0.257 30 20 DBED C=CCOc1ccc(C(=O)NCCNCC(=O)NC(N)=O)cc1 1130371334 NCBRIZFNQNXXBU-UHFFFAOYSA-N 320.349 -0.234 30 20 DBED CCC(=O)NCC(=O)N1C[C@H]2C[C@@H]3CN(CC#N)C[C@]2(C1)O3 1131209714 GYTKYCPMRBOMJQ-LALPHHSUSA-N 306.366 -0.662 30 20 DBED Cn1nc(C(=O)NCCNCC(=O)NCC#N)cc1C(F)F 1131355424 SFIMPINWELYJOZ-UHFFFAOYSA-N 314.296 -0.683 30 20 DBED C[C@H]1CC[C@H](NC(=O)C(C)(C)NS(C)(=O)=O)CN1CC#N 1132339874 KTKNSMOAEOTHCM-QWRGUYRKSA-N 316.427 -0.193 30 20 DBED CC(=O)N[C@H](CC1CCC1)C(=O)NCCNCC(=O)NCC#N 1132834589 NBOLTUPHJZXROX-CYBMUJFWSA-N 323.397 -0.973 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)CNC(=O)CCC 1133839419 GKVPLADJRWFERK-QWHCGFSZSA-N 324.425 -0.475 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CC(=O)N(CCC)C1 1134503588 PXTRMYMAZCRHLM-QWHCGFSZSA-N 322.409 -0.911 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)c1cnc2cccnn12 1134938879 KQMATPMSMHWJLH-LLVKDONJSA-N 316.365 -0.261 30 20 DBED C=CCn1cc(C(=O)NCCN[C@H](C)C(=O)NCCC)nn1 1134973118 DWSNYUBQWZQZON-LLVKDONJSA-N 308.386 -0.302 30 20 DBED C=C(Cl)CNCCNC(=O)c1cn(CC(=O)N(C)C)nn1 1152421192 VGQHRFQOJNMFID-UHFFFAOYSA-N 314.777 -0.562 30 20 DBED C=CCCN(CC)[C@H](C)CNC(=O)Cn1ccc(=O)n(C)c1=O 1153710333 NAOFJALJPCGYBJ-CYBMUJFWSA-N 322.409 -0.050 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1ccc(OC(C)C)cn1 1153851034 HBQBQKQYGFZEDB-UHFFFAOYSA-N 318.377 -0.062 30 20 DBED C=CCN(CC)[C@H](C)CNC(=O)[C@@H](CCC(N)=O)NC(C)=O 1155856163 COUXGFQKXVKBLL-DGCLKSJQSA-N 312.414 -0.231 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)Cc2cc[nH]n2)C1=O 1156062886 RVYHOJPLVZPJPX-CYBMUJFWSA-N 305.382 -0.165 30 20 DBED C#CCNC(=O)CC(=O)NCCCNCC(=O)NCCCC 1156857505 RLGUVYTXBLBTMQ-UHFFFAOYSA-N 310.398 -0.862 30 20 DBED C#CCO[C@@H](C)C(=O)NCCCNCc1nnnn1C1CC1 1157869840 SUAGUKYMGUXKLE-NSHDSACASA-N 306.370 -0.358 30 20 DBED CN(CC(=O)NCC#N)C[C@H]1CCCCN1C(=O)c1nc[nH]n1 1158616259 KKEXYJUZKGOTDJ-LLVKDONJSA-N 319.369 -0.629 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@H]1CC(=O)N(C(C)C)C1 1159229658 DOQYSSJKQQPSJV-ZDUSSCGKSA-N 322.409 -0.911 30 20 DBED CC(C)CN1CCC[C@H]1C(=O)NCCCNCC(=O)NCC#N 1161649815 XPKDWLNWIWXACF-AWEZNQCLSA-N 323.441 -0.158 30 20 DBED N#CCN1CC=C(CCNC(=O)CN2CCC(=O)NC2=O)CC1 1161655027 BGVXQZKBLAPPSV-UHFFFAOYSA-N 319.365 -0.410 30 20 DBED C[C@H](C(=O)NCCCNCC(=O)NCC#N)c1cncnc1 1164520512 RBGUCGYASQOGMK-NSHDSACASA-N 304.354 -0.684 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NCCCN[C@H]1CCNC1=O 1167685447 SKRLKXRNTJTAQM-STQMWFEESA-N 310.398 -0.558 30 20 DBED Cc1nn(CC(=O)N[C@@H](C)CCCCNCC#N)c(=O)n1C 1176392753 MEJZJCXKGYGMDU-NSHDSACASA-N 308.386 -0.322 30 20 DBED C=CCNCCCC[C@H](C)NC(=O)CNC(=O)Cn1cncn1 1176739274 WIGCXVYMLIPXAU-ZDUSSCGKSA-N 322.413 -0.155 30 20 DBED COCC(=O)N(C)CC(=O)N1C[C@H]2CC[C@H]1[C@@H](CNCC#N)C2 1177782847 GHSXSTAXSKSZKM-MJBXVCDLSA-N 322.409 -0.169 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)CCc2ccnn2C)C1 1182928426 WCLIASBSKAWRLC-CYBMUJFWSA-N 317.393 -0.707 30 20 DBED C=C(Cl)CN[C@@H]1CCN(C(=O)CCNS(C)(=O)=O)C1 1183016653 YUJHXGCEZBPSEO-SNVBAGLBSA-N 309.819 -0.131 30 20 DBED C[C@@H]1CN(C(=O)CN2CCN(C)C(=O)C2)CC[C@@H]1CNCC#N 1184691770 AUHWREOEDJQXOD-ZIAGYGMSSA-N 321.425 -0.642 30 20 DBED CC(=O)NCCOCCN(C)[C@H]1CCN(C(=O)[C@H](C)C#N)C1 1189400507 LKQHOPSIFACRNV-OCCSQVGLSA-N 310.398 -0.169 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)C[C@@H]2COC(=O)C2)C1 1189642496 RJIADOYQNMDIEA-QWHCGFSZSA-N 321.377 -0.778 30 20 DBED CCNC(=O)NC(=O)CN(C)[C@@H]1CCN(C(=O)C#CC2CC2)C1 1190026303 ZCPMMENOUWESSS-CYBMUJFWSA-N 320.393 -0.222 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@H](N(C)CC(=O)NC(=O)NC)C1 1190095952 WSNJBPLSECDWBD-RYUDHWBXSA-N 324.381 -0.987 30 20 DBED C#CCCCCC(=O)N[C@@H]1CN([C@@H]2CCN(C)C2=O)C[C@H]1O 1192328240 CPWAPCHMLYNCSN-MGPQQGTHSA-N 307.394 -0.428 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(CCc2cnn(C)c2)C[C@H]1O 1192879155 UAADGMFIAQFWQF-HUUCEWRRSA-N 320.393 -0.836 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2coc(C)n2)C[C@H]1O 1192891947 SKFRTWILENBLLG-LERXQTSPSA-N 307.350 -0.317 30 20 DBED CN(CC(=O)NCC#N)[C@H]1CCN(C(=O)Cc2ccco2)C1 1192976874 GUVIHIZKIPMLMS-LBPRGKRZSA-N 304.350 -0.005 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)[C@H](C)CCOC)C1 1194134116 GPPHFKOTUKEIIS-KGLIPLIRSA-N 309.410 -0.059 30 20 DBED CCCNC(=O)NC(=O)CN1CCCN(C(=O)[C@@H](C)C#N)CC1 1195314582 NDVYCCQZGLBNOU-LBPRGKRZSA-N 323.397 -0.084 30 20 DBED N#CCNC(=O)CN1CCCN(C(=O)c2cccc(O)n2)CC1 1195419346 XLIRGXALHIAZLJ-UHFFFAOYSA-N 317.349 -0.425 30 20 DBED CCN(C)C(C)(C)C(=O)N1CCCN(CC(=O)NCC#N)CC1 1196349490 KAUYSFFGYZRIJR-UHFFFAOYSA-N 323.441 -0.109 30 20 DBED N#CCNC(=O)CNC[C@@H]1CN(C(=O)c2ccon2)CCCO1 1199990717 RKWACNXUZUWAOX-LLVKDONJSA-N 321.337 -0.865 30 20 DBED C=CCOCC(=O)N1CCCO[C@H](CNCC(=O)NCC#N)C1 1200109334 RQJWZYUIXWBXIX-CYBMUJFWSA-N 324.381 -0.964 30 20 DBED C[C@@H](C#N)C(=O)N1CCCO[C@@H](CNCC(=O)N(C)C2CC2)C1 1200114112 AQALBXMBKVDGPJ-JSGCOSHPSA-N 322.409 -0.026 30 20 DBED C=CCCCNC1CCN(C(=O)CNC(=O)CNC(C)=O)CC1 1201293961 VBFFRPDHAOUVCQ-UHFFFAOYSA-N 324.425 -0.215 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)[C@@H]2CC23CC3)CCCO1 1201484659 XINYMSDOHQPUFV-KGLIPLIRSA-N 319.405 -0.257 30 20 DBED C=CCNCC1CCN(C(=O)CNS(=O)(=O)NC)CC1 1205764759 ZNPOXLAYTWXSDT-UHFFFAOYSA-N 304.416 -0.946 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCCN(C(=O)Cn2cccn2)C1 1207300038 YVKXYGXANYZXSY-KGLIPLIRSA-N 317.393 -0.398 30 20 DBED Cn1nccc1C(=O)N1CCC[C@H](NCC(=O)NCC#N)C1 1207586095 ROLGDFRHJKNEMH-NSHDSACASA-N 304.354 -0.746 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@@H](NCc2nnc(C)o2)C1 1207869732 KSWMRUPDMRCENH-GFCCVEGCSA-N 319.365 -0.402 30 20 DBED CC#CCN[C@@H]1CCCN(C(=O)CN2CCC(=O)NC2=O)C1 1210522602 NLHQLIOBIQRWTJ-GFCCVEGCSA-N 306.366 -0.468 30 20 DBED C=CCCOCC(=O)N1CCC[C@@H](N[C@@H]2CCC(=O)NC2=O)C1 1211355001 KUJGDWCBJZBOGN-CHWSQXEVSA-N 323.393 -0.035 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)CO[C@H](C)c1nccn1C 1213793989 WNGVFWLWMUYBJX-JHJVBQTASA-N 321.381 -0.163 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2cnc(C)cn2)C[C@@H]1O 1219605020 GXYZJAXUGIECDM-CFVMTHIKSA-N 318.377 -0.515 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(C[C@@H]2CCCCO2)C[C@@H]1O 1219611688 FACWYNFBDIZLED-ZNMIVQPWSA-N 310.394 -0.243 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)COCc2nccn2C)C1 1219857000 RDMZRMGCTPZWFO-OLZOCXBDSA-N 306.366 -0.879 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCCN(C(=O)c2nonc2C)C1 1222104939 NYKATSUCKHLCQO-NEPJUHHUSA-N 319.365 -0.290 30 20 DBED CO[C@@H](C)C(=O)N1CC[C@H]2CCN(CC(=O)NCC#N)[C@H]2C1 1222348353 NJHGOYUOBKIHMY-XQQFMLRXSA-N 308.382 -0.416 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC(CNC(=O)[C@H]2CCOC2)CC1 1222550633 GMJBBAYNIMANNU-HIFRSBDPSA-N 321.421 -0.011 30 20 DBED CC(C)N1CCCN(C(=O)C(=O)N2CCO[C@@H](C#N)C2)CC1 1261317761 JZLRQQYBIZKKKP-ZDUSSCGKSA-N 308.382 -0.320 30 20 DBED CC#CCNC[C@H]1CCCCN1C(=O)Cn1cnc(C(N)=O)n1 1280441032 SLBQYXIJJVKQAE-GFCCVEGCSA-N 318.381 -0.629 30 20 DBED C#CCN(C(=O)C(=O)NCCS(C)(=O)=O)C1CCCCC1 1323423922 CNHKMJNCDOLCNJ-UHFFFAOYSA-N 314.407 -0.058 30 20 DBED N#Cc1cc(C(=O)NC[C@H]2CCC[C@@]23NC(=O)NC3=O)c[nH]1 1325022299 BFDKJKKNQCAFBG-YMTOWFKASA-N 301.306 -0.006 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N(CCCCO)C2CC2)nn1 1325948126 TUOKREQGDKHFGG-UHFFFAOYSA-N 321.381 -0.156 30 20 DBED CC(C)[C@@](C)(C#N)NC(=O)COC(=O)COCc1nncn1C 1326265501 DTRRQNAOPXTQEE-CQSZACIVSA-N 323.353 -0.071 30 20 DBED COC(=O)[C@H]1CN(C(=O)C(=O)N2CCC[C@H](CC#N)C2)CCO1 1328169518 IQIGMLQJLSNZDS-VXGBXAGGSA-N 323.349 -0.461 30 20 DBED CO[C@@H]1CCC[C@H]1CNC(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1329328774 FXUAEJBFVWVUQL-ZOWXZIJZSA-N 309.366 -0.205 30 20 DBED N#C[C@H]1CCCN(C(=O)C(=O)N2CC[C@H](n3cncn3)C2)C1 1335542193 BAHLKVWGAXLJRQ-NEPJUHHUSA-N 302.338 -0.186 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)[C@@H]1CC12CCS(=O)(=O)CC2 1343982233 SBOGYXMIMDTSST-QWRGUYRKSA-N 313.375 -0.118 30 20 DBED N#Cc1cn(CCC(=O)NCCn2cccn2)c(=O)nc1O 1362091966 NYJLXYIGZIIBIA-UHFFFAOYSA-N 302.294 -0.776 30 20 DBED N#Cc1cn(CC(=O)NCc2cccc(O)c2)c(=O)nc1O 1362178139 ODECCWXNHWJBST-UHFFFAOYSA-N 300.274 -0.157 30 20 DBED N#Cc1cn(CCC(=O)NCCC2(CO)CC2)c(=O)nc1O 1362675431 TTXIZSFNZKXIBQ-UHFFFAOYSA-N 306.322 -0.511 30 20 DBED N#Cc1cn(CC(=O)N2CCOC[C@@H]2C2CCC2)c(=O)nc1O 1362820989 CIXYGBPKUWPKBH-GFCCVEGCSA-N 318.333 -0.152 30 20 DBED CC(C)(C)N1CC[C@@H]1C(=O)NCCn1cc(C#N)c(O)nc1=O 1363003535 KBGXYVUYQZPNGI-LLVKDONJSA-N 319.365 -0.190 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC(CO)(CO)CC1 1364077824 VJJHPJHMJKYLBT-NSHDSACASA-N 305.400 -0.611 30 20 DBED C[C@@H](CNC(=O)[C@@H]1COC(=O)N1)NC(=O)c1cc(C#N)c[nH]1 1372855065 WEBUBFGHYCWATP-XVKPBYJWSA-N 305.294 -0.771 30 20 DBED C=C(Br)CNC[C@@H](O)CNC(=O)Cc1ncc[nH]1 1379255731 HYJVIZMNISBYTQ-SECBINFHSA-N 317.187 -0.073 30 20 DBED C=C(Cl)CN[C@H]1C[C@H](CNC(=O)Cn2ncn(C)c2=O)C1 1397682433 UXWVKKDYVAHUQO-XYPYZODXSA-N 313.789 -0.181 30 20 DBED C=C(Cl)CN[C@@H](CC)CNC(=O)Cn1cnc(C(N)=O)n1 1400795184 LCIPZOJPNSXQJJ-VIFPVBQESA-N 314.777 -0.386 30 20 DBED C[C@H](CNC(=O)c1cn(C)nn1)N(C)C(=O)c1cc(C#N)c[nH]1 1404348965 SKMGAIFPSAQVRS-SECBINFHSA-N 315.337 -0.095 30 20 DBED C=C(Cl)CNC[C@H](C)NC(=O)Cn1[nH]cc2c(=O)ncnc1-2 1406533479 CESIXMWYFNISDF-VIFPVBQESA-N 324.772 -0.082 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CCCN(C(=O)c2cn(C)c(=O)n2C)C1 1407417877 WIHJTRRSCPEGAJ-QWRGUYRKSA-N 319.365 -0.396 30 20 DBED CO[C@H](C)CC(=O)NC[C@@H](O)CNC(=O)c1ccc(C#N)[nH]1 1410096326 QVLHKLQZOXZFJI-MWLCHTKSSA-N 308.338 -0.482 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)CCc1cncs1 1433338027 PJZRSGNONGPCJN-NXEZZACHSA-N 310.379 -0.171 30 20 DBED CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1ccc(C#N)n1C 1434339691 NDEDQCBURSTDKK-NSHDSACASA-N 300.322 -0.293 30 20 DBED CCOCC(=O)N1CC[C@H](NCC(=O)N(CC)CCC#N)C1 1436858633 CIYNPXSBGVYEQW-ZDUSSCGKSA-N 310.398 -0.024 30 20 DBED C[C@@H](C#N)C(=O)NCC1CN(C(=O)c2ccc(C(N)=O)[nH]2)C1 1450715352 RXLCQBQJYWUIOA-QMMMGPOBSA-N 303.322 -0.539 30 20 DBED CC[C@@H](CNC(=O)c1ccc(C(N)=O)nc1)NC(=O)[C@@H](C)C#N 1450991858 LSROUXZYAPUSOV-ONGXEEELSA-N 317.349 -0.035 30 20 DBED COC[C@H](OC)C(=O)NCC1(NC(=O)c2ccc(C#N)[nH]2)CC1 1453548185 YXPYFGXQLAYQDB-LBPRGKRZSA-N 320.349 -0.074 30 20 DBED C[C@@H](C#N)C(=O)NC1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 1453794085 RSLWYVZPQAQCGX-ZMLRMANQSA-N 322.365 -0.714 30 20 DBED Cc1ncoc1C(=O)NC[C@]1(O)CCN(C(=O)[C@@H](C)C#N)C1 1454077173 QBISTRHEWIGYNA-LKFCYVNXSA-N 306.322 -0.164 30 20 DBED CC(=O)N[C@@H](C(=O)NCC1CN(C(=O)[C@@H](C)C#N)C1)C(C)C 1456541627 ADIDXMBPKLCZET-GXFFZTMASA-N 308.382 -0.119 30 20 DBED CN(Cc1cccc(O)n1)S(=O)(=O)N1CCO[C@@H](C#N)C1 1475718210 OJQVUBDRWGWKNP-NSHDSACASA-N 312.351 -0.312 30 20 DBED Cc1cc(C(=O)N(C)CCNC(=O)[C@H](C)C#N)ncc1C(N)=O 1496501146 ODRZIYNJAXYGMO-SNVBAGLBSA-N 317.349 -0.163 30 20 DBED C[C@H](C#N)C(=O)NC1CN(C(=O)c2cnc(N(C)C)cn2)C1 1530617035 JAWOSKZDZQKOPR-SECBINFHSA-N 302.338 -0.357 30 20 DBED CCn1cc(-c2nn[nH]n2)c(=O)n(Cc2ccc(C#N)o2)c1=O 1578736183 STKKAPVPYIAVKO-UHFFFAOYSA-N 313.277 -0.277 30 20 DBED N#Cc1ncn(Cc2coc(S(N)(=O)=O)c2)c1-c1nn[nH]n1 1581886049 XEBSANGIYWOSHR-UHFFFAOYSA-N 320.294 -0.776 30 20 DBED C[C@](C#N)(CC(=O)O)C(=O)N1CCO[C@H](CS(C)(=O)=O)C1 1588538951 RMJGLIRWGCFFPT-JOYOIKCWSA-N 318.351 -0.737 30 20 DBED Cc1ncc(S(=O)(=O)NC2(C#N)CC2)cc1-c1nn[nH]n1 1592413305 JZPDWDKGKXGCMX-UHFFFAOYSA-N 305.323 -0.095 30 20 DBED N#CCN1CC[C@@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1592677817 USPRSQAHRBFPAR-VIFPVBQESA-N 300.326 -0.230 30 20 DBED CCN(C[C@@H](C)C#N)C(=O)CN1CCNC(=O)[C@@H]1CC(=O)O 1596230159 SWLJWOBAUFNZSG-QWRGUYRKSA-N 310.354 -0.730 30 20 DBED C[C@@H]1CN(C(=O)C(=O)NC2CCN(CC#N)CC2)C[C@H]1C(=O)O 1599851413 VKIBOENQGDYRAE-ZYHUDNBSSA-N 322.365 -0.730 30 20 DBED C=CC[C@H](OC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)C(=O)O 1602844437 BSKHHOOZIIIJIR-SXLYUPOASA-N 323.301 -0.279 30 20 DBED COC[C@@H]1CN(c2cnc(C#N)c(-c3nn[nH]n3)n2)CCO1 1605073984 VOKDMCXJFJTMSH-QMMMGPOBSA-N 302.298 -0.620 30 20 DBED N#Cc1ccc(S(=O)(=O)NN2CCCNC2=O)c(C(=O)O)c1 1608211830 KSYWWDOTTVCVMY-UHFFFAOYSA-N 324.318 -0.135 30 20 DBED CCS(=O)(=O)C[C@H](C)NC(=O)N1CC[C@@](O)(CC#N)C1 1647236227 QHMJGRRDRKKZSD-JQWIXIFHSA-N 303.384 -0.130 30 20 DBED CO[C@@]1(C(=O)N2CCN(CCC#N)CC2)CCS(=O)(=O)C1 1647407033 KTFIFFYIAPCOHP-ZDUSSCGKSA-N 315.395 -0.752 30 20 DBED CN(CCCNC(=O)c1ccc(O)nc1)CC(=O)NCC#N 1752109379 WRWKNDHRACTLTI-UHFFFAOYSA-N 305.338 -0.521 30 20 DBED C#CCNC(=O)CN[C@H](CNC(=O)Cc1cnc[nH]1)C1CC1 1752484732 RHDUZWOBFNYKKV-CYBMUJFWSA-N 303.366 -0.814 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@]23CCOC3)C1 1752771801 CEJAZYOCUBZWPC-ZWUHOBOKSA-N 305.378 -0.601 30 20 DBED N#CCNC(=O)CNC[C@@H]1CCN(C(=O)c2cnns2)C1 1752930026 BFLCLYNXMXUWGL-VIFPVBQESA-N 308.367 -0.770 30 20 DBED C#CCNC(=O)CNC[C@@H]1CCN(C(=O)CC2OCCCO2)C1 1752935244 MNYCQWXRZHTKKA-ZDUSSCGKSA-N 323.393 -0.673 30 20 DBED C#CCNC(=O)CN(CC)CCNC(=O)[C@H]1OCC[C@H]1CC 1753083398 CUSLGJNIZSECPF-HIFRSBDPSA-N 309.410 -0.011 30 20 DBED CC#CCN1CC[C@H](CNC(=O)Cn2ccc(=O)n(C)c2=O)C1 1753128190 DBQGICOKUVFHLI-CYBMUJFWSA-N 318.377 -0.992 30 20 DBED C#CCN1CC[C@@H](CCNC(=O)CCS(=O)(=O)N(C)C)C1 1753340792 JXFZOPOMXSYJQD-CYBMUJFWSA-N 315.439 -0.271 30 20 DBED C#CCCCC(=O)NC1CN(CC(=O)N2CCO[C@@H](C)C2)C1 1753375803 VTXWMFVTZNDXGJ-ZDUSSCGKSA-N 307.394 -0.162 30 20 DBED C#CCNC(=O)CNC[C@@H]1CCCN1C(=O)CN(C)C(C)C 1754622472 SGAPXBDFMQXHFF-AWEZNQCLSA-N 308.426 -0.343 30 20 DBED COC1CC(C(=O)N2CC[C@](C)(CNCC(=O)NCC#N)C2)C1 1754698153 JNNKHIGHGNNASP-SEEARECTSA-N 322.409 -0.121 30 20 DBED CC(=O)Nc1ccc(C(=O)NCC2(O)CN(CC#N)C2)nc1 1754768596 UDSSFFILIJJZJQ-UHFFFAOYSA-N 303.322 -0.660 30 20 DBED C=CCNC(=O)CN1C[C@H]2CN(C(=O)COCC=C)C[C@H]2C1 1754840018 LVRYBYSMYABLAQ-OKILXGFUSA-N 307.394 -0.119 30 20 DBED CC(C)(C(=O)NC[C@@H]1COCCN1CC(=O)NCC#N)C1CC1 1754970715 YQBXFZOEXWMWNP-CYBMUJFWSA-N 322.409 -0.121 30 20 DBED C#CCNC(=O)CN1CC([C@@H](C)NC(=O)C[C@H]2CCOC2)C1 1755383447 WORWTXUYVXEMOT-CHWSQXEVSA-N 307.394 -0.401 30 20 DBED C[C@H](CCCNCC(=O)NCC#N)NC(=O)c1cn(C)cn1 1755493211 CMKWISAJVDEYBF-LLVKDONJSA-N 306.370 -0.452 30 20 DBED C#CCCN[C@H]1CN(C(=O)CCNC(=O)COC)CC1(C)C 1755757793 QTXPTVZZCSMJRU-ZDUSSCGKSA-N 309.410 -0.011 30 20 DBED C=CCNC(=O)[C@@H](C)N(C)C[C@@H](O)CN(C)C(=O)c1ccon1 1755798166 PJAQYKVUYNPDQO-VXGBXAGGSA-N 324.381 -0.270 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C[C@@H](O)CNC(=O)c1cnn(C)c1 1756662420 GCLMIIMTJASTDL-AAEUAGOBSA-N 322.365 -0.993 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C[C@@H](O)CNC(=O)c1cnn(C)c1 1756662423 GCLMIIMTJASTDL-YPMHNXCESA-N 322.365 -0.993 30 20 DBED C=CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](C)NC(C)=O)CCO2 1783922671 XCFUHCOJEDLUMD-BLLLJJGKSA-N 323.393 -0.083 30 20 DBED C[C@@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN)[C@H]2C1 1786798141 QTEGMQYOSZJTPB-RCWTZXSCSA-N 301.412 -0.757 30 20 DBED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccno3)C[C@@H]21 1790790786 GLHVJOSNHDTSJA-GVXVVHGQSA-N 303.318 -0.099 30 20 DBED C=CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(N)=O)[C@H]2C1 1790854187 ZHENCFDXMVBPDS-AVGNSLFASA-N 323.393 -0.192 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)C(=O)N(C)C)C2 1841599496 SPCKUIVCEUMWMS-LBPRGKRZSA-N 321.377 -0.684 30 20 DBED Cn1cnc(C(=O)N2CCCC23CN(C(=O)CCC#N)C3)n1 1842353852 VRIPBTJGJSOFJV-UHFFFAOYSA-N 302.338 -0.064 30 20 DBED NC(=O)CCC(=O)N1CCCC12CN(C(=O)C#CC1CC1)C2 1845992783 AVVITEANXOFRHP-UHFFFAOYSA-N 303.362 -0.131 30 20 DBED CCN(CC(=O)NCCCN(C)S(C)(=O)=O)C[C@H](C)C#N 98134501 RWFAOVBJSVDGMG-GFCCVEGCSA-N 318.443 -0.134 30 20 DBED N#C[C@@H]1CN(C(=O)CN2C(=O)NC3(CCCC3)C2=O)CCO1 264487051 NBCUUHUSOSUSTL-SNVBAGLBSA-N 306.322 -0.398 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)Cc2ccn[nH]2)CC1 266132833 OWBOMXOQJDPLSD-UHFFFAOYSA-N 303.366 -0.764 30 20 DBED CN(CCCN1CCCC1)c1c(C#N)c(=O)n(C)c(=O)n1C 281966345 TYFFGOBQMLTKLM-UHFFFAOYSA-N 305.382 -0.122 30 20 DBED C=CCN(C)C(=O)C(=O)N[C@@H]1CCN(c2cc(C)nn2C)C1=O 288016262 CCOMHGJYWQIDCA-LLVKDONJSA-N 319.365 -0.406 30 20 DBED Cc1noc(C)c1S(=O)(=O)NCC(=O)N[C@@H](C)CC#N 290137194 KIQHOLPDQGRMLX-ZETCQYMHSA-N 300.340 -0.012 30 20 DBED Cc1oc(S(N)(=O)=O)cc1/C(O)=N/C[C@@H]1CN(C)CCO1 330669019 KHPVHXXCFOAIJE-SECBINFHSA-N 317.367 -0.129 30 20 DBED CS(=O)(=O)c1ccc(N=C(O)N[C@@]2(CO)CCOC2)cn1 330903063 YDNSGIBFRXLHIG-GFCCVEGCSA-N 315.351 -0.228 30 20 DBED CCN(C)C(=O)[C@H]1CSCN1C(=O)Cn1cnc(C#N)n1 331155923 PMNCEDBLFILGHT-SECBINFHSA-N 308.367 -0.470 30 20 DBED Cc1cc(NC(=O)C(=O)NC[C@@H](C)CN(C)C)nn1CCC#N 340657080 GHQLLJGCBHZKKD-LLVKDONJSA-N 320.397 0.358 30 20 DBED C[C@@H](C(=O)NC1(C#N)CCC1)N1CC[C@H](S(N)(=O)=O)C1 346410794 JKIRRQPYJFQTPI-UWVGGRQHSA-N 300.384 -0.700 30 20 DBED Cn1c(N)c(C(=O)CN2CCC(F)(C#N)CC2)c(=O)n(C)c1=O 352449455 NAZTUPYIPNXXHK-UHFFFAOYSA-N 323.328 -0.823 30 20 DBED CC[C@@]1(C)NC(=O)N(CC(=O)N(CC#N)CC(=O)OC)C1=O 358565016 HSRKRMFZMNITCW-CYBMUJFWSA-N 310.310 -0.768 30 20 DBED N#Cc1ccc(-n2ccc(NC(=O)Cn3cnnn3)n2)c(F)c1 371708794 TUBHJYHBJMOUAO-UHFFFAOYSA-N 312.268 0.508 30 20 DBED C[C@H]1[C@H](C)S(=O)(=O)CCN1S(=O)(=O)N(C)[C@H](C)CC#N 407974124 CDKKGBJFFHJANJ-VWYCJHECSA-N 323.440 -0.027 30 20 DBED N#Cc1ccc(CN2CCN(C(=O)C(=O)NCCN)CC2)cc1 419817526 MDLBTNURDKRAST-UHFFFAOYSA-N 315.377 -0.723 30 20 DBED C=CCn1cc(CNC(=O)[C@@H](NC(=O)COC)C(C)C)nn1 424910437 ZVWCBZSUPIVLEJ-ZDUSSCGKSA-N 309.370 -0.133 30 20 DBED COc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1CNC(=O)C1 440455851 BKMJBIIYBXEINA-SECBINFHSA-N 302.290 -0.490 30 20 DBED CN(C(=O)C(=O)Nc1ccc(F)cc1C#N)[C@@H]1CCNC1=O 442258335 WIJHPKFRFCEHJX-LLVKDONJSA-N 304.281 -0.017 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)C23CCCN2CCC3)CC1 491535772 FNZRVLLTNBQONT-UHFFFAOYSA-N 318.421 -0.492 30 20 DBED N#Cc1ccc(OC[C@H](O)CNC[C@@H]2CC[C@@H](C(N)=O)O2)cc1 518362694 SWWQFGWEUBLRHL-SNPRPXQTSA-N 319.361 -0.080 30 20 DBED Cn1c(NCc2nc(C3CC3)n[nH]2)c(C#N)c(=O)n(C)c1=O 519181452 CRKXQPQHLDGEAF-UHFFFAOYSA-N 301.310 -0.437 30 20 DBED C=CCN1CCC(NC(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)CC1 544804951 VQTMONGANSAMKA-LBPRGKRZSA-N 321.381 -0.418 30 20 DBED N#CC1(CS(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)O)CCCC1 548771100 IPMSQHHTYHWIKM-UWVGGRQHSA-N 302.352 -0.080 30 20 DBED C[C@@H](C(=O)N(C)CCCc1[nH]nc(N)c1C#N)N1CCOCC1 579022778 ADQSHEBBIJJARG-NSHDSACASA-N 320.397 -0.025 30 20 DBED COC(=O)[C@H]1C[C@@H](O)CN(S(=O)(=O)CC2(C#N)CC2)C1 592110029 AMGFGJBYWAVBHJ-VHSXEESVSA-N 302.352 -0.524 30 20 DBED N#CCNC(=O)CNC(=O)CC1(Cn2cnnn2)CCCCC1 593159361 LKMMRDFTVKBJMG-UHFFFAOYSA-N 319.369 -0.230 30 20 DBED C[C@H](CO)C1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 593644039 LISASQUYKNEZIN-YPMHNXCESA-N 317.411 -0.204 30 20 DBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H]1CC(=O)N1 597374611 KVFGTNXNXQPUDC-ZJUUUORDSA-N 300.322 -0.726 30 20 DBED COC[C@@H](NC(=O)C(=O)N1CCN(CCC#N)CC1)C(C)C 602247656 CYFVYQKEJZGHBX-CYBMUJFWSA-N 310.398 -0.169 30 20 DBED CC(C)(CCCO)CNC(=O)C(=O)N1CCN(CCC#N)CC1 602253111 ZUSQCIRFRSDFHT-UHFFFAOYSA-N 324.425 -0.041 30 20 DBED CN(CCCNC(=O)N1CCO[C@@H](C#N)C1)S(C)(=O)=O 609282892 CCEYAHMCEIEXGV-JTQLQIEISA-N 304.372 -0.798 30 20 DBED CCOCCS(=O)(=O)NCC(=O)N[C@@H](C#N)CC(C)C 610712565 MNKOTWAWHRZCIO-LLVKDONJSA-N 305.400 -0.003 30 20 DBED CS(=O)(=O)N1CCN(CCN[C@H]2CC[C@H](C#N)C2)CC1 619672734 XRYBYXODMJSFKK-STQMWFEESA-N 300.428 -0.155 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN(CC(=O)N(C)C)CC1 665424669 RUNAXNHAPRIUIC-CQSZACIVSA-N 324.425 -0.310 30 20 DBED N#CCSCC(=O)N1CCC[C@@H](CNS(N)(=O)=O)C1 706100104 ZVXAXZGESSQOAF-VIFPVBQESA-N 306.413 -0.725 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)c1c(OC)ncnc1OC 729868260 BIZDNSXACTYSNW-UHFFFAOYSA-N 324.293 -0.338 30 20 DBED CC(C)[C@@](C)(C#N)NC(=O)CN1[C@@H](C)C(=O)N(C)S1(=O)=O 752876560 BUQJPAFLAFDRTF-JOYOIKCWSA-N 316.383 -0.552 30 20 DBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC(N)=O 766287141 XSMWICDUAHDGKS-QMMMGPOBSA-N 311.319 -0.746 30 20 DBED C#CCn1cc(CNC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)cn1 788217356 LJIIZPQZVPALIW-GFCCVEGCSA-N 312.333 -0.091 30 20 DBED C#CCNC(=O)CN1CCN(S(=O)(=O)CCCCF)CC1 804987152 WZVAAEOHOXBWHB-UHFFFAOYSA-N 319.402 -0.567 30 20 DBED C#CCCCS(=O)(=O)N[C@H](CC)C(=O)N1CCOCC1 805030902 NOAVUASDSGXLQL-GFCCVEGCSA-N 302.396 -0.043 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCC[C@H](CO)[C@H]1C)[C@H]1CCCO1 817837869 FLDSDMHZSPYVLF-YIYPIFLZSA-N 308.378 -0.097 30 20 DBED C[C@](C#N)(CC(=O)O)C(=O)N[C@H]1CCN(C2CCOCC2)C1=O 819820987 BVCLBXFVDGTEGY-XHDPSFHLSA-N 323.349 -0.113 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)COCCCC)CC1 831561483 XJGWDBOLWZYSLN-UHFFFAOYSA-N 317.411 -0.585 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCCCCCCN)C1=O 843262488 RDUCBQUEGDJBJS-ZDUSSCGKSA-N 324.425 -0.133 30 20 DBED Cc1cc(C(=O)N[C@H]2CNC[C@H]2C#N)ccc1S(N)(=O)=O 843458856 ANQWIWYWVQMSRW-MNOVXSKESA-N 308.363 -0.516 30 20 DBED C#CCCN(CC(F)(F)F)C(=O)Cn1cnc(C(N)=O)n1 844482406 MLOAGWLRTFADCG-UHFFFAOYSA-N 303.244 -0.209 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@@H](C)[C@@H]2CCCO2)CC1 906556955 SDEJKNCJHBASPK-KBPBESRZSA-N 307.394 -0.305 30 20 DBED CC(C)[C@@H](C(=O)NCC#CCN(C)C)N1CCCS1(=O)=O 913519538 DQDIABWJFRFMKK-ZDUSSCGKSA-N 315.439 -0.272 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccn(C)n1 937144451 MDRJKFITKWRZHO-WXHSDQCUSA-N 301.350 -0.066 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CC(N)=O)C1 938034689 FYHKSAIDBJTRIF-TUAOUCFPSA-N 309.366 -0.440 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](NC(=O)c2ccc(C(N)=O)o2)C1 938353280 BAUPVQSBMGNILD-BDAKNGLRSA-N 304.306 -0.131 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@@H](N(C)C(=O)Cn2cnnn2)C1 939007400 YEAVGTBXMLRZIT-LLVKDONJSA-N 306.370 -0.055 30 20 DBED C=CCn1cc(C(=O)N2CC[C@@H](NC(=O)c3cc[nH]n3)C2)nn1 939519776 LCVQVPXLEHXKRC-SNVBAGLBSA-N 315.337 -0.168 30 20 DBED COc1cncc(C(=O)N[C@@H]2CCN(C(=O)[C@H](C)C#N)C2)n1 940415701 OJABXOIOBHLWQW-NXEZZACHSA-N 303.322 -0.024 30 20 DBED CO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1NC(=O)C1CCOCC1 940972985 WHMCIDRYUQNQMB-CYZMBNFOSA-N 309.366 -0.085 30 20 DBED O=C(NC[C@@H]1CN(C(=O)C#CC2CC2)CCO1)C1=COCCO1 944458735 ZUAKGGALLSFAEV-CYBMUJFWSA-N 320.345 -0.368 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2[C@H]3C[C@H]2N(C(=O)CC(N)=O)C3)cn1 947672991 DALAYWYDPDECDC-NVBFEUDRSA-N 312.329 -0.733 30 20 DBED C#CCN1CC[C@@H](NC(=O)CN2CCC(=O)NC2=O)C[C@@H]1C 947899487 KJVIWKULNWNESW-NWDGAFQWSA-N 306.366 -0.469 30 20 DBED C#CCN1CCOC2(CCN(C(=O)[C@]3(C)CCC(=O)N3)CC2)C1 949458940 XYLBSABOVVVCIY-INIZCTEOSA-N 319.405 -0.018 30 20 DBED NC(=O)CC(=O)N1CC[C@@H]2CCN(C(=O)C#CC3CC3)[C@@H]2C1 953303305 SFJNZRJRQPPDAV-CHWSQXEVSA-N 303.362 -0.275 30 20 DBED C=CC(C)(C)C(=O)N1CCN([C@H]2CCN(C(=O)C(N)=O)C2)CC1 956599414 MYVUBOYMTROEHV-LBPRGKRZSA-N 322.409 -0.571 30 20 DBED C=C(C)CCN1C[C@H](CNC(=O)c2cc(=O)n(C)o2)[C@@H](O)C1 957999812 NSRVIHHTDLRTLN-RYUDHWBXSA-N 309.366 -0.033 30 20 DBED C=C(C)CN1C[C@H](CNC(=O)C2CS(=O)(=O)C2)[C@@H](O)C1 958097173 UMOXZWKYQZLPJQ-JQWIXIFHSA-N 302.396 -0.984 30 20 DBED C=CCCn1cc(C(=O)N2CCO[C@@H]3CN(C(C)=O)C[C@@H]32)nn1 960447395 UWKNJCIXJNTZIK-UONOGXRCSA-N 319.365 -0.074 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2[C@@H]1CCCN2C(=O)C(N)=O 963543160 VHIRSAJBVFVOFU-VOAKCMCISA-N 321.377 -0.345 30 20 DBED CN1CCC[C@H]1C(=O)NC[C@H]1COCCN1C(=O)C#CC1CC1 964124323 VRHZDRRQHHMSML-GJZGRUSLSA-N 319.405 -0.162 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)COC)C[C@@H]1O 964490709 ZAMJMZDVRISIAC-OPDFLTKYSA-N 312.366 -0.698 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)c2ncc(F)cc2F)C1 968631731 LOKUYRFZEHOYPN-ONOSFVFSSA-N 324.287 -0.179 30 20 DBED C[C@@H](NC(=O)c1ccc(C#N)[nH]1)C1CN(Cc2nc(O)n[nH]2)C1 969513448 DDKHPICCGGRDBM-MRVPVSSYSA-N 315.337 -0.040 30 20 DBED COc1ccc(C#N)cc1CN[C@@H]1CCN(C(=O)C(N)=O)C1 969776620 FCSJHOIZXHLJGM-GFCCVEGCSA-N 302.334 -0.257 30 20 DBED C#CCN1CC([C@H](C)NC(=O)c2cn([C@H]3CCOC3)nn2)C1 970712601 ZEJYPYPHBDADJI-AAEUAGOBSA-N 303.366 -0.077 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)Cn2ncnn2)C1 973307345 AEHMWJXSFWRPMJ-KKOKHZNYSA-N 320.353 -0.972 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](CNC(=O)c2nnc(O)nc2O)C1 983218361 XMVBGFQOVVQGNQ-YUMQZZPRSA-N 320.309 -0.979 30 20 DBED O=C(Cc1cc[nH]n1)N[C@H]1CCN(C(=O)C#CC2CC2)C[C@H]1O 991366783 UNDMZXWNDWFQKQ-UONOGXRCSA-N 316.361 -0.556 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@H](NC(=O)c2nnn(C)n2)[C@H](O)C1 991668525 CJJYDNLLWDJUKG-VHSXEESVSA-N 322.369 -0.886 30 20 DBED Cn1cc(C(=O)N[C@]23CCC[C@@H]2N(CC#N)CC3)n(C)c1=O 992526053 LQERQDPWAGPIOP-WFASDCNBSA-N 303.366 -0.026 30 20 DBED C[C@@H](C#N)C(=O)N1CC(CNC(=O)[C@H]2CCS(=O)(=O)C2)C1 1003183661 WJMLRIWQOGEHDB-ONGXEEELSA-N 313.379 -0.845 30 20 DBED C#Cc1cncc(C(=O)N2CC[C@@H](C)[C@H](NC(=O)C(N)=O)C2)c1 1005224030 NWYHPOPPZGYROH-ZWNOBZJWSA-N 314.345 -0.485 30 20 DBED C=CCN1CC[C@H](N2CCC[C@@H](NC(=O)c3nc[nH]n3)C2)C1=O 1008923936 JQYVNFUTYNGKJH-NEPJUHHUSA-N 318.381 -0.214 30 20 DBED Cn1[nH]c(CN2CC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)nc1=O 1010645454 UENPOMGCWNMUNA-SNVBAGLBSA-N 315.337 -0.688 30 20 DBED C=CCN1CC[C@H](N[C@H]2CCN(C(=O)[C@H](O)C(C)C)C2)C1=O 1018801166 YZCMFVHFOSHOJB-MELADBBJSA-N 309.410 -0.019 30 20 DBED C=C(C)CN[C@H]1CCN(C(=O)[C@@H]2CCN(C)S2(=O)=O)C1 1019497447 WKFZJYSFEDAHOS-RYUDHWBXSA-N 301.412 -0.213 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@H]3CN(C(=O)CC(N)=O)C[C@H]32)[nH]1 1021411577 PPGZQUMIROKEAZ-JOYOIKCWSA-N 315.333 -0.565 30 20 DBED C#CCN1CCC[C@H]([C@H](C)NC(=O)C2CC(=O)NC(=O)C2)C1 1025562355 RRZBMSKWLFTHIL-RYUDHWBXSA-N 305.378 -0.111 30 20 DBED C=CCN1CC[C@@H](CNC(=O)c2cn(CC(=O)N(C)C)nn2)C1 1029003575 KASYEALQCXAWRS-LBPRGKRZSA-N 320.397 -0.396 30 20 DBED COCCn1cc(C(=O)NC[C@@H]2CN(CC#N)CCO2)c(C)n1 1035370360 NYLUGCXJEZGRQK-CYBMUJFWSA-N 321.381 -0.208 30 20 DBED N#CCN1CCO[C@H](CNC(=O)[C@H]2CCc3c[nH]nc3C2)C1 1035612412 YVYVGROHUNRTSD-WCQYABFASA-N 303.366 -0.145 30 20 DBED C#CCC1(C(=O)NC[C@]2(O)CCN(C(C)=O)C2)CCOCC1 1040060971 BJKNFVYHMHHIOB-MRXNPFEDSA-N 308.378 -0.094 30 20 DBED Cc1ncn(C)c1C(=O)N1CC[C@@](O)(CNC(=O)[C@H](C)C#N)C1 1040761806 WBDNTKRJMPAFDO-MEBBXXQBSA-N 319.365 -0.419 30 20 DBED C[C@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)c2cnn(C)c2)C1 1040764810 ZHHKVCBTJXKINI-YGRLFVJLSA-N 305.338 -0.727 30 20 DBED N#Cc1nccc(N2C[C@@H](O)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)n1 1040965039 LUQFPPFQFAAMGN-VXGBXAGGSA-N 323.316 -0.472 30 20 DBED Cn1ccc(C(=O)N[C@@H]2CN(c3cnc(C#N)cn3)C[C@H]2O)c1 1040988159 VZHXCWFRYJQAHX-CHWSQXEVSA-N 312.333 -0.334 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)COCC)C1 1041317048 ADQKOSKUGRTSHN-NSHDSACASA-N 300.355 -0.697 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)[C@@H](C)SC)C1 1041623085 HPZRRFGYQRTLCV-WDEREUQCSA-N 314.407 -0.534 30 20 DBED CC1CC(C(=O)NCC2(O)CN(C(=O)CSCC#N)C2)C1 1042465665 VEWKVQBVRRDLAL-UHFFFAOYSA-N 311.407 -0.021 30 20 DBED CC(C)[C@@H](O)C(=O)NCC1(O)CN(C(=O)c2cc(C#N)c[nH]2)C1 1042877286 OGFZHZHAXPSZJI-GFCCVEGCSA-N 320.349 -0.794 30 20 DBED C[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1Nc1ccc(C#N)cn1 1043337277 KKJWCVMRYXIQIW-ZYHUDNBSSA-N 312.337 -0.101 30 20 DBED C#CCN1CCC(C(=O)NCC2(O)CN(C(=O)CC)C2)CC1 1043428338 ZXNBRSDIIHJGJJ-UHFFFAOYSA-N 307.394 -0.569 30 20 DBED N#Cc1nccc(N2C[C@H](O)[C@H](NC(=O)c3cnccn3)C2)n1 1043835043 PHOWTNKYSGNOSM-MNOVXSKESA-N 311.305 -0.882 30 20 DBED CC(C)n1ccc(C(=O)N2CC(O)(CNC(=O)[C@@H](C)C#N)C2)n1 1045551040 DLNVFPMFSNKHOH-NSHDSACASA-N 319.365 -0.073 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)CCc2cncnc2)C1 1045554693 HMVKTLRDROIYDS-NSHDSACASA-N 317.349 -0.742 30 20 DBED N#Cc1cnc(N[C@H]2C[C@@H](CNC(=O)[C@@H]3CNC(=O)N3)C2)cn1 1046562648 VNVRQPJTDLDOEZ-NGZCFLSTSA-N 315.337 -0.664 30 20 DBED CC#CCN1CC[C@](C)(NC(=O)[C@@H]2CN(C(C)=O)CCO2)C1 1046814551 KDMSMDFYFORYPK-HOCLYGCPSA-N 307.394 -0.162 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(C)c2N)C1 1048718001 GOLOMEZNYHHSJX-RYUDHWBXSA-N 321.381 -0.388 30 20 DBED CN1CCC[C@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C#CC2CC2)C1 1048821273 JBBRGWXULZNFNL-KKUMJFAQSA-N 319.405 -0.476 30 20 DBED Cc1ccnc(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)C#N)C2)n1 1049395771 YENFSVWDEBDOEQ-USWWRNFRSA-N 317.349 -0.412 30 20 DBED C#CCN1C[C@@H]2CCCN(C(=O)c3cc(=O)n(C)cn3)[C@@H]2C1 1050068981 QRSNCATZVJQIOL-GXTWGEPZSA-N 300.362 -0.050 30 20 DBED C#CCCN1CCOC[C@H]1CNC(=O)c1cnc(OC)nc1 1051194039 UUYXXUZHVCNKEM-CYBMUJFWSA-N 304.350 -0.061 30 20 DBED CCn1nncc1CNC[C@H]1CN(C(=O)[C@H](C)C#N)CCO1 1051495478 VEBMINJROAZEDX-YPMHNXCESA-N 306.370 -0.225 30 20 DBED C#CCN1CCN([C@H]2CCN(C(=O)CN3CCCC3=O)C2)CC1 1051976852 BEJOCKALMCEBKB-HNNXBMFYSA-N 318.421 -0.540 30 20 DBED C#CCN1CC2(C1)CN(C(=O)[C@H]1CN3CCC[C@H]3CO1)CCO2 1053263053 GXNDTWORRLHFSR-LSDHHAIUSA-N 319.405 -0.604 30 20 DBED C=CCN1CC2(C1)CN(C(=O)COc1cnn(C)c1)CCO2 1053396909 JAGMLOKFJVSTCY-UHFFFAOYSA-N 306.366 -0.102 30 20 DBED C=CCCCC(=O)N1C[C@H]2CN(C(=O)Cn3cnnn3)C[C@H]2C1 1055157637 AEEBDSBCSCNRAH-BETUJISGSA-N 318.381 -0.054 30 20 DBED Cn1cncc1CC(=O)N1CCN(c2ccc(C#N)nn2)CC1 1055859888 BORZGEAFEQADKZ-UHFFFAOYSA-N 311.349 -0.027 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@](CO)(NC(=O)c2cnon2)C1 1056073325 VORJVMVXOSXBDW-TVQRCGJNSA-N 307.310 -0.687 30 20 DBED N#Cc1nccnc1N1C[C@H]2[C@H](NC(=O)[C@H]3CCNC3=O)[C@H]2C1 1056356363 UAJCTJNICXFRQM-UXCLJVHYSA-N 312.333 -0.965 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1 1056762005 PHUXYXPEQRLOQS-LLVKDONJSA-N 310.317 -0.215 30 20 DBED N#CCSCC(=O)N(CCO)CCNC(=O)C#CC1CC1 1057026932 QXCWHWKXKLCODF-UHFFFAOYSA-N 309.391 -0.406 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)CNC(=O)OC 1057091521 SDQPXVNTQMRGRC-UHFFFAOYSA-N 313.354 -0.917 30 20 DBED N#Cc1ccc(N2CCCN(C(=O)Cn3cnnn3)CC2)nc1 1057092941 GSSXPQHJKUHFBW-UHFFFAOYSA-N 312.337 -0.321 30 20 DBED C#CCOCCC(=O)NCCN(CCO)C(=O)[C@H](CC)OC 1057156348 AICPTGCOLCDFDB-ZDUSSCGKSA-N 314.382 -0.612 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)[C@@H]1CCCCO1 1057193607 LCPBBQWZMJVRKD-ZDUSSCGKSA-N 314.382 -0.305 30 20 DBED C=C[C@H](CC)CC(=O)NCCN(CCO)C(=O)c1ncn(C)n1 1057498613 GPZLWORGIXPOAG-GFCCVEGCSA-N 323.397 -0.032 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)CN(C)C(C)C 1057863005 BBSZZKGUBMANAM-UHFFFAOYSA-N 315.414 -0.534 30 20 DBED N#Cc1cnc(N2CC[C@@H](NC(=O)[C@H]3COC(=O)N3)C2)cn1 1058350675 QUAMKABNZAQNML-PSASIEDQSA-N 302.294 -0.848 30 20 DBED CN1C[C@@H](C(=O)N[C@@H]2CCN(c3cnc(C#N)cn3)C2)NC1=O 1058504045 DYIAYSNMSMZZHT-KOLCDFICSA-N 315.337 -0.933 30 20 DBED C[C@@H](CC(=O)NCCN(CCO)C(=O)[C@H](C)C#N)n1ccnc1 1058659119 SYEXDDCELIOKFQ-OLZOCXBDSA-N 321.381 -0.069 30 20 DBED COC(=O)[C@H]1C[C@@H]1C(=O)N[C@H]1C[C@@H](N=c2cc[nH]c(C#N)n2)C1 1059576601 OGGVSKHBXDGCSK-VLEAKVRGSA-N 315.333 -0.362 30 20 DBED C=CCOCC(=O)NCC[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 1060258515 IGWIEMNPFIRTFD-NEPJUHHUSA-N 324.381 -0.775 30 20 DBED CNC(=O)NCC(=O)N1CC2(CCN(C(=O)[C@H](C)C#N)CC2)C1 1061030435 XJIZFTIOKUWWEJ-LLVKDONJSA-N 321.381 -0.474 30 20 DBED Cc1c(C(=O)N2C[C@@H]3C[C@H]2CN3c2nccnc2C#N)nnn1C 1062461366 ODQKHXUJPJMYOS-QWRGUYRKSA-N 324.348 -0.112 30 20 DBED Cn1nncc1C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(C#N)nn1 1062481445 PCQPOKWNAYTDGT-QWRGUYRKSA-N 310.321 -0.420 30 20 DBED C#CCOCCC(=O)NC1(CNC(=O)[C@H](C)NC(N)=O)CCC1 1062847716 HZWJYFBDFGWIMG-NSHDSACASA-N 324.381 -0.762 30 20 DBED N#Cc1cncc(N2CCO[C@@H](CNC(=O)c3cc[nH]n3)C2)n1 1063614453 RXGKRRXHQGVMQI-NSHDSACASA-N 313.321 -0.293 30 20 DBED C[C@H]1CN(C(=O)c2nc[nH]n2)CC[C@H]1N=c1cc[nH]c(C#N)n1 1063758314 PDPKJUGQCVGPQD-VHSXEESVSA-N 312.337 -0.149 30 20 DBED C=CCOCC(=O)N1CCO[C@@H](CNC(=O)c2ccnn2C)C1 1064976239 HAOBKTVLMISILS-LBPRGKRZSA-N 322.365 -0.420 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)CNC(=O)CC)CCO1 1064982471 GZEGDYJZUVHWIP-LBPRGKRZSA-N 311.382 -0.178 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCO[C@@H](CNC(=O)CCOC)C1 1065096991 MTHZBBPYJTZRJQ-SWLSCSKDSA-N 314.382 -0.306 30 20 DBED C=CC(C)(C)C(=O)NC[C@H]1CN(C(=O)c2cnn[nH]2)CCO1 1065328720 XNMRWCJHZNZISS-JTQLQIEISA-N 307.354 -0.026 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CN(C(=O)COCC(F)F)CCO1 1065365200 BKLXMHULVKIGBO-NXEZZACHSA-N 319.308 -0.229 30 20 DBED Cc1cc(=NC[C@@]2(C)CCN(C(=O)C(N)=O)C2)c(C#N)c[nH]1 1065479554 JRYFIMSQOVDFAZ-OAHLLOKOSA-N 301.350 -0.181 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@H](CNC(=O)CCc2nc[nH]n2)C1 1065557826 VSYMNZNAFQSXJK-WDEREUQCSA-N 320.353 -0.759 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@H](CNC(=O)CCc2cnc[nH]2)C1 1065559213 AMASSMWAJRPBLG-WCQYABFASA-N 319.365 -0.154 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H]1CCCN(C(=O)c2cnn[nH]2)CC1 1066170844 YRBJMJZEGIUCPZ-NEPJUHHUSA-N 319.365 -0.046 30 20 DBED Cn1nncc1C(=O)NC[C@H]1[C@@H]2CN(c3nccnc3C#N)C[C@H]12 1068172508 RFKQRPUULPYFSB-RTCCRHLQSA-N 324.348 -0.411 30 20 DBED N#Cc1nccnc1N1C[C@@H]2C(CNC(=O)c3cnn[nH]3)[C@H]2C1 1068209795 MDGUPMRJKPPGSU-NXEZZACHSA-N 310.321 -0.421 30 20 DBED N#CCSCC(=O)N1CC2(C1)CN(C(=O)C(F)F)CCO2 1068263451 OKYCRLITIMWXNM-UHFFFAOYSA-N 319.333 -0.052 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CCC2(CN(C(=O)C(N)=O)C2)O1 1068571275 KWCCNGYBSJKGMI-NSHDSACASA-N 307.350 -0.993 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCC(CC)(NC(=O)C(N)=O)CC1 1069337218 CWMQHEPQCBXVGD-CQSZACIVSA-N 311.382 -0.314 30 20 DBED N#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2ccc(O)nc2)C1 1070089008 REKFYNBKYKGXAC-NEPJUHHUSA-N 313.321 -0.442 30 20 DBED C=CCN[C@@H]1CN(C(=O)C[C@H]2CCC(=O)N2)C[C@@H]1n1ccnn1 1070294368 SRJLOECMSLAIAQ-UPJWGTAASA-N 318.381 -0.526 30 20 DBED C=C(C)[C@@H](CC(=O)N1CCC[C@@H](NC(=O)C(N)=O)C1)OCC 1070829096 LRNFUAFIEIOJDE-VXGBXAGGSA-N 311.382 -0.050 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)[C@@H]2C[C@H]2OCC)CC1 1070940481 IGUKYQKYTZDCIA-ZIAGYGMSSA-N 307.394 -0.305 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)Cc2cc[nH]n2)CC1 1070950225 QGYPAMSIYCNBAT-UHFFFAOYSA-N 303.366 -0.764 30 20 DBED C=CCOCC(=O)N[C@@H]1CCCN(C(=O)c2nnn(C)n2)C1 1071108429 KERFILMYFXUWDA-SNVBAGLBSA-N 308.342 -0.867 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)COCCOC)C[C@@H]1C 1071818998 LHIDTTFSUHIRIR-QWHCGFSZSA-N 314.382 -0.185 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)COCC=C)C1 1071935724 GGROFYBHEGOVJY-OLZOCXBDSA-N 321.377 -0.708 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CCN(C(=O)CCCN(C)C)CC1 1074696470 AKVRVFCEWHUCOF-CYBMUJFWSA-N 324.425 -0.042 30 20 DBED C[C@H](C#N)C(=O)N1CCC(O)(CNC(=O)[C@H](C)CC(N)=O)CC1 1074706961 SDSBBJHCZOHTPC-GHMZBOCLSA-N 324.381 -0.873 30 20 DBED C#CCOCCC(=O)NCC[C@H](C)NC(=O)c1cn(C)c(O)n1 1076505457 WKTPRULBPSTWGV-NSHDSACASA-N 322.365 -0.210 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H](C)CCNC(=O)CCCC(N)=O 1077178169 WMLFHIUOKGNXGD-XHDPSFHLSA-N 313.398 -0.020 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCCC(=O)N2)C1 1077351988 BCNUACNJIJNVRY-QJPTWQEYSA-N 315.801 -0.041 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)c2ccnc3c2ncn3C)C1 1077655457 QHTRAPWGAWBBKQ-CHWSQXEVSA-N 313.361 -0.234 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nc[nH]n3)cc2)C1 1077941402 KYFBCKYFBRPILD-CHWSQXEVSA-N 312.333 -0.230 30 20 DBED C[C@@H](CCNC(=O)[C@H](C)C#N)NC(=O)c1cc(C(N)=O)cn1C 1078130529 FUYAKWGTEIUJOQ-ZJUUUORDSA-N 319.365 -0.092 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@@H]1CCCN(C(=O)Cn2ncnn2)CC1 1079061893 LTQRASONUBDATF-NWDGAFQWSA-N 319.369 -0.328 30 20 DBED C=CCOCC(=O)N1CC(N(CC)C(=O)[C@@H]2CC(=O)N(C)C2)C1 1079915395 YABYZAUORQYQNC-GFCCVEGCSA-N 323.393 -0.273 30 20 DBED C=CCC(CC=C)C(=O)NC[C@H]1CN(C(=O)C(N)=O)C[C@H]1O 1081510767 CRXFIELGOYHQJL-NWDGAFQWSA-N 309.366 -0.824 30 20 DBED CC(C)C#CC(=O)N1C[C@H](CNC(=O)CN(C)C(C)C)[C@@H](O)C1 1081551084 NICPSODERUJBCX-GJZGRUSLSA-N 323.437 -0.079 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)c2cccc3c2NC(=O)CO3)C1 1083530553 SVQWSPZMWDZFPO-NEPJUHHUSA-N 317.345 -0.022 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](NC(=O)c2cnc(O)n(C)c2=O)C1 1083693477 JPKUJTBSCQHHTB-NEPJUHHUSA-N 322.365 -0.773 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)c2ccc3oc(O)nc3n2)C1 1083950484 LVWDTFKVJITTEC-MNOVXSKESA-N 316.317 -0.273 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2c[nH]nc2-c2ccco2)C1 1084074090 PDAOTXFUXJEQMM-MNOVXSKESA-N 301.306 -0.032 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2cnc(N(C)C)cn2)[C@@H](O)C1 1090265481 MSOLUOZOQDCSBE-YPMHNXCESA-N 303.366 -0.659 30 20 DBED Cc1cc(=O)c(C(=O)N[C@@H]2CCN(CC#N)C[C@@H]2O)cn1C 1090341025 FVKICFDAPYPANM-OCCSQVGLSA-N 304.350 -0.618 30 20 DBED CS[C@H](C)C(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1O 1090386372 WKGGESZBZQRPRW-FBIMIBRVSA-N 307.379 -0.235 30 20 DBED N#Cc1cnc(N[C@H]2C[C@H](CNC(=O)Cn3nccn3)C2)cn1 1091482081 AXRRQZNNIPTFNK-XYPYZODXSA-N 312.337 -0.053 30 20 DBED CC1(C)CC[C@H](CNC(=O)C(N)=O)N(c2ccnc(C#N)n2)C1 1092122637 ZODQVPXXBRIDEW-SNVBAGLBSA-N 316.365 -0.055 30 20 DBED N#Cc1cnc(N2CC[C@H](NC(=O)CC(N)=O)[C@@H](O)C2)c(F)c1 1092132992 AESDWZKURNJUOQ-QWRGUYRKSA-N 321.312 -0.976 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCN(c2cc(F)ncn2)C[C@H]1O 1092164508 NCTNQXOLJFNCBU-VXGBXAGGSA-N 322.340 -0.289 30 20 DBED CN1CCC(OCC(=O)NCCNc2ccc(C#N)nn2)CC1 1093815401 ZVNPWHGZBJOPPC-UHFFFAOYSA-N 318.381 -0.013 30 20 DBED N#Cc1nccnc1NCCNC(=O)CNC(=O)N1CCCC1 1093893424 ZXPKGGBAOPDJNN-UHFFFAOYSA-N 317.353 -0.318 30 20 DBED N#Cc1nc(=NCCNC(=O)c2cccc3ncnn23)cc[nH]1 1093968990 XMZSXNNMCOJDBZ-UHFFFAOYSA-N 308.305 -0.345 30 20 DBED Cc1cc(C#N)nc(NCCNC(=O)[C@@H]2CC[C@H]2C(N)=O)n1 1094035418 ZCXGWWRVDFCZCH-GHMZBOCLSA-N 302.338 -0.304 30 20 DBED N#Cc1nccnc1N[C@@H]1CCN(C(=O)CCNC(N)=O)C1 1095035420 ZSJITROIKXMWRB-SECBINFHSA-N 303.326 -0.581 30 20 DBED CNC(=O)CC(=O)NCC1CCN(c2nccnc2C#N)CC1 1095350327 JZPQGHGSEXKPFR-UHFFFAOYSA-N 316.365 -0.183 30 20 DBED CC(=O)N(C)CC(=O)NC1CCN(c2ccc(C#N)nn2)CC1 1095405758 XVWLUUYJNJWKIE-UHFFFAOYSA-N 316.365 -0.088 30 20 DBED CN1C[C@@H](C(=O)NCCCN(C)c2ccc(C#N)nc2)NC1=O 1095696657 JEVCBQDWRDOPMR-ZDUSSCGKSA-N 316.365 -0.081 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CCN(c2ncc(F)cn2)C1 1096359923 JBYLKOQYAAYFJT-NSHDSACASA-N 305.313 -0.550 30 20 DBED CCS(=O)(=O)CC(=O)N[C@H]1C[C@H](Nc2cnc(C#N)cn2)C1 1097033430 VTSUWIVAUFSBMY-MGCOHNPYSA-N 323.378 -0.158 30 20 DBED C[C@@H](CNC(=O)c1c[nH]c(C#N)c1)Nc1nccn2nnnc12 1097766152 HYVXJNWDDMTEAV-QMMMGPOBSA-N 311.309 -0.051 30 20 DBED C=CCNCc1cn([C@H]2CCN(C(=O)c3cnn[nH]3)C2)nn1 1098688460 PPOPPRPAIYUWCK-NSHDSACASA-N 302.342 -0.241 30 20 DBED C#CCNCc1cn([C@@H]2CCN(C(=O)[C@]3(F)CCOC3)C2)nn1 1098706007 OVCFFVGMIHSKIM-HIFRSBDPSA-N 321.356 -0.097 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC[C@H](n2cc(CNCCO)nn2)C1 1098789372 BVQUIIUUBJVEQM-JSGCOSHPSA-N 323.397 -0.276 30 20 DBED CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2NC(=O)NC2=O)C1 1098881119 HDCZDJFBVGXIAH-MKBNYLNASA-N 318.377 -0.422 30 20 DBED CC1(C)CC[C@H](CNC(=O)CN2CC(=O)NC2=O)N(CC#N)C1 1099270452 MIHRBUCWMBEKIC-LLVKDONJSA-N 321.381 -0.331 30 20 DBED N#CCNC(=O)CN1CC[C@@H](NC(=O)CCC2CC2)[C@@H](O)C1 1099751003 XJVWHTVMIDCJAT-OLZOCXBDSA-N 308.382 -0.632 30 20 DBED COCC#CCN1CC[C@H](NC(=O)CCc2cnc[nH]2)[C@@H](O)C1 1099871737 JROLTKPSISSAOM-GJZGRUSLSA-N 320.393 -0.457 30 20 DBED C=CCCCN1CC[C@H](NC(=O)CN2CCCNC2=O)[C@@H](O)C1 1099903193 BRVXSTYPEFZRLW-KBPBESRZSA-N 324.425 -0.081 30 20 DBED CN(CCNC(=O)[C@H]1CCNC(=O)C1)c1cnc(C#N)cn1 1100007210 VTYNUNXULLALOO-JTQLQIEISA-N 302.338 -0.573 30 20 DBED C=CCCCN1CC[C@H](NC(=O)CCn2cnnn2)[C@@H](O)C1 1100046432 LSSQADUHSQLXKS-STQMWFEESA-N 308.386 -0.419 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)Cn2ccnc2C)[C@@H](O)C1 1100110280 SSRDRAZHKADDRQ-CABCVRRESA-N 320.393 -0.607 30 20 DBED C=C(C)CCN1CC[C@H](NC(=O)CS(=O)(=O)CC)[C@@H](O)C1 1100129151 INGHPEODPPVQHG-STQMWFEESA-N 318.439 -0.061 30 20 DBED C[C@H]1C[C@H](C(=O)NCCN(C)c2ccc(C#N)nn2)CC(=O)N1 1100211596 SXUXNYJIACHFKN-QWRGUYRKSA-N 316.365 -0.185 30 20 DBED CN(CCNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccncc1C#N 1100227188 KMPHPSSYWCOJGC-LLVKDONJSA-N 322.390 -0.060 30 20 DBED CN(CCNC(=O)[C@H]1CCCCC(=O)N1)c1ccnc(C#N)n1 1100320177 QIKWRJHEXHUVMH-LLVKDONJSA-N 316.365 -0.041 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)CN2CCC[C@H]2C)C1 1100675854 AOLGHKXODVYTMI-WLYUNCDWSA-N 320.437 -0.296 30 20 DBED C#CCNC(=O)[C@H](C)NC1CC(CNC(=O)c2cnn(C)n2)C1 1100756748 MALVAUNTYMAGFP-UNXYVOJBSA-N 318.381 -0.949 30 20 DBED CC(=O)NCC(=O)NC[C@H]1CCCN1c1nc(C)cc(C#N)n1 1100770206 ODEDUKJNGPKQIL-CYBMUJFWSA-N 316.365 -0.122 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CN(C(=O)c3cocn3)C[C@]2(C)C1 1101166242 HJNPRPMCUDYHFY-WBMJQRKESA-N 316.361 -0.182 30 20 DBED CN(CCNc1cncc(C#N)n1)C(=O)c1ccn2nnnc2c1 1101890048 DQXSKCCYUDBKGH-UHFFFAOYSA-N 323.320 -0.030 30 20 DBED C=CCN1C[C@@H](C)[C@H](CNC(=O)CNS(=O)(=O)CC)C1 1102016664 IBRMSYATJOQKSI-VXGBXAGGSA-N 303.428 -0.204 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)CN(C)CCC)C1 1102525387 ZYXBGWFCXZZDMS-HUUCEWRRSA-N 322.453 -0.238 30 20 DBED N#Cc1cncc(N2C[C@@H]3C[C@H]2CN3C(=O)CCCC(N)=O)n1 1102554072 UIRXFLRBTNNMKP-RYUDHWBXSA-N 314.349 -0.207 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)c2nonc2C)C1 1102614957 GFQLAVSECAXUMO-ZYHUDNBSSA-N 319.365 -0.575 30 20 DBED CC[C@@H](CNC(=O)Cn1ncnn1)Nc1cnc(C#N)cn1 1103207761 LPDYVSJBRKBSKR-VIFPVBQESA-N 301.314 -0.658 30 20 DBED C[C@@H](CNC(=O)CCNC(N)=O)CNc1nccnc1C#N 1103967575 JAFIXXBUPVTRPD-VIFPVBQESA-N 305.342 -0.429 30 20 DBED Cc1cc(C(=O)NC[C@H](O)CN=c2cc[nH]cc2C#N)on1 1105746947 SAPDPDCQEMLNRB-LLVKDONJSA-N 301.306 -0.126 30 20 DBED Cc1ncoc1C(=O)NC[C@H](O)CN=c1cc[nH]cc1C#N 1105807717 FPDDYVGWSHIGRY-LLVKDONJSA-N 301.306 -0.126 30 20 DBED Cc1cc(=NC[C@@H](O)CNC(=O)c2nonc2C)c(C#N)c[nH]1 1105884657 NBSVFUCCAIEYMC-LLVKDONJSA-N 316.321 -0.422 30 20 DBED CN(C)CCCCC(=O)NC[C@@H](O)CNc1cnc(C#N)cn1 1105908564 SZUYCKFGANBXIF-ZDUSSCGKSA-N 320.397 -0.031 30 20 DBED Cc1nonc1CC(=O)NC[C@H](O)CNc1ccc(C#N)cn1 1105947853 NDXBFMDMMBLGJP-LLVKDONJSA-N 316.321 -0.224 30 20 DBED C#CCOCCC(=O)NC[C@H](O)CNc1ncnc2c1CCC2 1105965537 CXECLPLZTVUEQN-LBPRGKRZSA-N 318.377 -0.106 30 20 DBED N#Cc1cnc(NC[C@@H](O)CNC(=O)Cc2cncs2)cn1 1105993097 FSODQYAWTOUIHX-SNVBAGLBSA-N 318.362 -0.064 30 20 DBED C=CCNC(=O)CNC[C@@H]1CN(C(=O)Cc2nc[nH]n2)C[C@H]1C 1106858846 RGIRNXLOQOARPK-VXGBXAGGSA-N 320.397 -0.667 30 20 DBED CCN(CCN=c1cc[nH]cc1C#N)C(=O)[C@H]1CNC(=O)N1 1106928536 MJGOLFJECGVRPS-GFCCVEGCSA-N 302.338 -0.683 30 20 DBED CCN(CCN=c1cc[nH]cc1C#N)C(=O)C1(C(N)=O)CC1 1106943095 QRTSYLVFQSZTLS-UHFFFAOYSA-N 301.350 -0.099 30 20 DBED C[C@H](CC(N)=O)C(=O)NC/C=C/CN=c1cc[nH]c(C#N)n1 1107450003 BADSXCOVHCSGIP-VMZHVLLKSA-N 302.338 -0.634 30 20 DBED C[C@H](CNc1cncc(C#N)n1)NC(=O)C(=O)NCC(F)F 1108006507 QQDVBVXLRDLXPX-SSDOTTSWSA-N 312.280 -0.354 30 20 DBED C[C@H](CN(C)c1cncc(C#N)n1)NC(=O)c1cnn(C)c1N 1108933966 ZSHKEAXDUPHJMT-SECBINFHSA-N 314.353 -0.081 30 20 DBED CN(CCCNc1ccc(C#N)nc1)C(=O)[C@H]1CNC(=O)N1 1109598523 DUNLCARGQPHROX-GFCCVEGCSA-N 302.338 -0.105 30 20 DBED N#Cc1cnc(NC2(CNC(=O)[C@@H]3CC[C@H]3C(N)=O)CC2)cn1 1110300010 MJLXTKJAFKWLMI-GHMZBOCLSA-N 314.349 -0.080 30 20 DBED N#Cc1nccc(NC2(CNC(=O)[C@H]3CNC(=O)N3)CC2)n1 1110324178 BLJWCXDDPYFJTG-MRVPVSSYSA-N 301.310 -0.910 30 20 DBED Cc1cc(C#N)nc(N2CC[C@@](C)(NC(=O)CNC(N)=O)C2)n1 1110709403 YMIWGDUVJVDDAE-CQSZACIVSA-N 317.353 -0.590 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@]1(O)CCN(c2cc(F)ncn2)C1 1111098991 YIHLKEJPBBWZLT-NHYWBVRUSA-N 322.340 -0.289 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1COCCN1c1ccnc(C#N)n1 1111662813 HKNYHYHHTHAEOY-WDEREUQCSA-N 300.322 -0.171 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1COCCN1c1cncc(C#N)n1 1111663271 SETSMTDDFFMQPI-ZYHUDNBSSA-N 300.322 -0.171 30 20 DBED N#Cc1c[nH]ccc1=NC1(CNC(=O)[C@@H]2CCNC2=O)CCC1 1111880590 HHOILCRKTSKBBP-GFCCVEGCSA-N 313.361 -0.038 30 20 DBED C#CCCN[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)C[C@H]1C(F)(F)F 1112154619 VAERQCBAEIZLJC-OPRDCNLKSA-N 318.299 -0.330 30 20 DBED N#Cc1cnc(NCC2(NC(=O)C(N)=O)CCOCC2)c(F)c1 1112262914 LPDBDQHSQBXTSB-UHFFFAOYSA-N 321.312 -0.345 30 20 DBED C[C@@H](NC(=O)Cn1cnnn1)[C@@H](C)Nc1cnc(C#N)cn1 1112904635 AWKGZOYZVVHXBN-RKDXNWHRSA-N 301.314 -0.660 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2ccnc(OC)c2)CC1 1113057364 OHOPQMPWTPCAFU-UHFFFAOYSA-N 316.361 -0.403 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)C2(CN(C)C)CC2)CC1 1113271410 PHTBUAXDIXIQPS-CQSZACIVSA-N 320.437 -0.390 30 20 DBED C[C@@H](CNC(=O)Cn1cnnn1)N(C)c1ncc(C#N)cc1F 1113486724 FQBJLIZOKVHQRP-VIFPVBQESA-N 318.316 -0.280 30 20 DBED C[C@@H](CNC(=O)[C@H](C)CC(N)=O)N(C)c1ccnc(C#N)n1 1113799468 GPDBPJZPQMQWNS-ZJUUUORDSA-N 304.354 -0.199 30 20 DBED CNC(=O)CC(=O)N[C@H]1CN(c2cnc(C#N)cn2)CC[C@@H]1C 1114012293 ZPVGFMUPHBQAHS-JQWIXIFHSA-N 316.365 -0.185 30 20 DBED CN(C)C1(C(=O)NC2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]23)CCC1 1114401597 UQUWGZVADIYKBJ-VXGBXAGGSA-N 319.409 -0.843 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)CN(C)C3CCC3)[C@H]2C1 1114412001 OPFJRLZRNSBWLA-KBPBESRZSA-N 318.421 -0.734 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)CN(C)C3CCC3)[C@H]2C1 1114412412 XRCUXZPJWVODCZ-HALDLXJZSA-N 320.437 -0.181 30 20 DBED CN(C[C@@H]1CCC[C@@H]1O)C(=O)C(=O)N1CC[C@](O)(CC#N)C1 1118250151 NJCMHKUQNLJMJY-SLEUVZQESA-N 309.366 -0.517 30 20 DBED C[C@H](CN(C)C(=O)[C@H]1CN(C)C(=O)N1)Nc1nccnc1C#N 1120408573 NVRQWKGCVVYTIG-MWLCHTKSSA-N 317.353 -0.369 30 20 DBED Cc1cc(C#N)nc(N[C@@H](CO)CNC(=O)c2cnns2)n1 1121092150 JPYHEBHIKYQKNI-SECBINFHSA-N 319.350 -0.289 30 20 DBED Cn1nccc1C(=O)NC[C@H](CO)Nc1ncccc1C#N 1121177200 HIBFRLSUCLGNCE-LLVKDONJSA-N 300.322 -0.110 30 20 DBED Cc1ncc(C(=O)NC[C@H](CO)N=c2cc[nH]cc2C#N)[nH]1 1121234709 GNKLAHOQJADTJM-LLVKDONJSA-N 300.322 -0.391 30 20 DBED CN1CC[C@@H](CC(=O)NC[C@H](CO)N=c2cc[nH]c(C#N)n2)C1 1121805874 FSUWNAROBPHQMN-NWDGAFQWSA-N 318.381 -0.999 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)[C@@H]2[C@H]3COC[C@H]32)nn1 1122371405 BAEDKZAISDBSRK-DCQANWLSSA-N 303.322 -0.870 30 20 DBED C[C@H](C(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1)C(C)(F)F 1122550665 QBRJEIPJPHUXMC-BDAKNGLRSA-N 313.308 -0.050 30 20 DBED CCCN(C)CC(=O)N(C)C[C@@H](O)CN=c1cc[nH]cc1C#N 1124441543 IOKHZFNMVUDTIC-AWEZNQCLSA-N 319.409 -0.052 30 20 DBED CN(C[C@H](O)CNc1ccc(C#N)nn1)C(=O)c1ncccn1 1124456808 ZMVNBPOWMOXZNA-LLVKDONJSA-N 313.321 -0.317 30 20 DBED CN(C[C@@H](O)CNc1cnc(C#N)cn1)C(=O)c1csnn1 1124629130 YWFDRQVDULYUGR-VIFPVBQESA-N 319.350 -0.255 30 20 DBED C=CCn1cc(C(=O)N(C)C[C@@H](O)CNc2ncccn2)nn1 1124804189 RBBITVFIEVNCJA-NSHDSACASA-N 317.353 -0.201 30 20 DBED C[C@H](C#N)C(=O)NCCN[C@@H]1CCN(c2cnn(C)c2)C1=O 1124903244 PJRYRJKXFFRACI-ZYHUDNBSSA-N 304.354 -0.609 30 20 DBED COCCN(CCNC(=O)[C@H]1CCOC1)c1cncc(C#N)n1 1126246905 FLOHZPDLWRJSTQ-LBPRGKRZSA-N 319.365 -0.046 30 20 DBED CN(CCOCCN=c1cc[nH]cc1C#N)C(=O)CC(N)=O 1127247517 FLIIFJYOYVGXBS-UHFFFAOYSA-N 305.338 -0.863 30 20 DBED C#CCCN1CCn2ncc(CNC(=O)[C@H](C)CC(N)=O)c2C1 1128432244 SZNLZFDVVMWUHH-GFCCVEGCSA-N 317.393 -0.150 30 20 DBED CC#CCN[C@@H]1CN(C(=O)c2cnco2)C[C@@H]1n1ccnn1 1129949148 QZPYIEPUDJVXJH-NEPJUHHUSA-N 300.322 -0.055 30 20 DBED C=CCN[C@@H]1CN(C(=O)CCCCC(N)=O)C[C@@H]1n1ccnn1 1130079815 ZPGIPVGQDFBUGR-OLZOCXBDSA-N 320.397 -0.149 30 20 DBED CC(=O)N(C)CC(=O)NCc1c[nH]nc1[C@@H]1CCN(CC#N)C1 1130345638 SGYCRUIDVYKOHT-GFCCVEGCSA-N 318.381 -0.183 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)CNC(=O)OC)CC1 1131334192 MEJGPHFWIMFRIA-UHFFFAOYSA-N 312.370 -0.821 30 20 DBED Cc1nn(C)c(Cl)c1C(=O)NCCNCC(=O)NCC#N 1132065992 UIMQKXGIQJYKCS-UHFFFAOYSA-N 312.761 -0.659 30 20 DBED C[C@@H]1CC[C@H](NC(=O)CN(C)S(C)(=O)=O)CN1CC#N 1132076909 DLGKUOMZTPRFNY-MNOVXSKESA-N 302.400 -0.630 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)Cc1ccon1 1133987002 CBDZEYSYXGNTAA-NEPJUHHUSA-N 306.366 -0.161 30 20 DBED C[C@@H]1CCC[C@H](OCC(=O)NCCNCC(=O)NCC#N)C1 1134619668 YTOLVMCWLMKFDF-OLZOCXBDSA-N 310.398 -0.073 30 20 DBED C=CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)C(C)(C)C(N)=O 1134657822 NDAORISSLWLKHW-WDEREUQCSA-N 312.414 -0.327 30 20 DBED CC(C)NC(=O)CN(C)CC(=O)N[C@H](C)C[C@H](C)NCC#N 1134839754 PAGVACVZFSLNSX-QWHCGFSZSA-N 311.430 -0.161 30 20 DBED C=C(C)CN(CC)C(=O)CNCCNC(=O)c1cnn(C)n1 1135283376 WSCYCRXYRXKQTQ-UHFFFAOYSA-N 308.386 -0.441 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)C(C)(C)NC(C)=O 1135686376 HGPGGNNSEMSYQG-VXGBXAGGSA-N 324.425 -0.477 30 20 DBED C=CCN[C@H](C)C[C@H](C)NC(=O)CNC(=O)Cn1cncn1 1146581845 CXKSZJBQBQMTOB-NEPJUHHUSA-N 308.386 -0.547 30 20 DBED C[C@@H](Oc1ccccn1)C(=O)NCCNCC(=O)NCC#N 1148109243 ZVIRZWHYIDWRBQ-LLVKDONJSA-N 305.338 -0.806 30 20 DBED CC(C)[C@H](C(=O)NCCNCC(=O)NCC#N)N1CCCCC1 1152479015 AHCJIQILGZCRDO-OAHLLOKOSA-N 323.441 -0.158 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)Cn1ccnc1 1153487522 BQWOYHOYVFLBQJ-UHFFFAOYSA-N 306.370 -0.649 30 20 DBED C=C(C)CCN(CC)[C@H](C)CNC(=O)CNS(=O)(=O)NC 1154469316 SUWDVEIJKBTULZ-GFCCVEGCSA-N 320.459 -0.167 30 20 DBED C#CCNC(=O)CNCCCNC(=O)CCOCC(F)F 1158144178 KOQOZDGXGHTCSQ-UHFFFAOYSA-N 305.325 -0.497 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1cnc(C)nc1OC 1159471964 YBOWTJFYGKZWCU-UHFFFAOYSA-N 319.365 -0.747 30 20 DBED COc1cncc(C(=O)NCCCNCC(=O)NCC#N)c1C 1160965444 XGAKRMSGXSYWIT-UHFFFAOYSA-N 319.365 -0.252 30 20 DBED N#CCNC(=O)CNCCCNC(=O)[C@H]1CCn2ccnc2C1 1161315664 RQPSCELWDNDLDP-LBPRGKRZSA-N 318.381 -0.819 30 20 DBED CC[C@H]1C[C@H](C(=O)NCCCNCC(=O)NCC#N)CC(=O)N1 1163073716 PJCDFTMHTZPWAF-RYUDHWBXSA-N 323.397 -0.973 30 20 DBED C#CCNC(=O)CNCC1(CCNC(=O)c2ncn(C)n2)CC1 1164444063 YXENJBJSEAFSCD-UHFFFAOYSA-N 318.381 -0.946 30 20 DBED C=CCNCC1(CCNC(=O)CCS(=O)(=O)NC)CC1 1164513580 FUDWJZXHUDQHDU-UHFFFAOYSA-N 303.428 -0.012 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)[C@@H](C(C)C)N(C)C 1166010080 GKOFUCZMTBNOCR-UONOGXRCSA-N 310.442 -0.194 30 20 DBED C=CCCNCC1(CCNC(=O)CNS(=O)(=O)NC)CC1 1166408544 AVHDIIRFVAYCPI-UHFFFAOYSA-N 318.443 -0.508 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@H](C)Cc1cnc[nH]1 1167978707 NWFTUHNPLULNAI-GFCCVEGCSA-N 305.382 -0.566 30 20 DBED C=CCN1CC[C@H](NCCCC[C@@H](C)NC(=O)C(N)=O)C1=O 1175024051 XAYHMUOZCBONJY-NEPJUHHUSA-N 310.398 -0.477 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)CCCn3cncn3)C[C@@H]21 1177125743 SHQOHPKKMNNYBG-GJZGRUSLSA-N 317.393 -0.007 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2ccnn2C)C1 1181461027 IFDSUSXAWUYEEZ-NWDGAFQWSA-N 305.382 -0.085 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)C2(F)CCOCC2)C1 1183102782 HPSNYPJLXZFUDF-GFCCVEGCSA-N 311.357 -0.555 30 20 DBED N#CCN[C@H]1CCO[C@@H](C2CCN(C(=O)CNC(N)=O)CC2)C1 1186053610 XHHYUKNZKBAWSF-QWHCGFSZSA-N 323.397 -0.446 30 20 DBED CC(C)(C(=O)N1CC[C@@H](NCC(=O)NCC#N)C1)c1cnc[nH]1 1187090577 CLULJXZWFDYZTA-LLVKDONJSA-N 318.381 -0.482 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H]2CN(C[C@H](C)OC)C[C@H]21 1187605415 JNMIMTZZAIMSSU-MELADBBJSA-N 307.394 -0.307 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)Cn2cccn2)C1 1188863580 UDGPWIYNEGOQDX-ZDUSSCGKSA-N 303.366 -0.835 30 20 DBED CN([C@@H]1CCN(C(=O)CSCC#N)C1)[C@@H]1CCC(=O)NC1=O 1188958047 CNWXEDBEDRPSFL-GHMZBOCLSA-N 324.406 -0.419 30 20 DBED CCCN(C)CC(=O)N1CC[C@H]2CN(CC(=O)NCC#N)C[C@H]21 1189898243 HNBXPEHMUHFINY-UONOGXRCSA-N 321.425 -0.499 30 20 DBED CCc1nnc(CN2C[C@@H](O)[C@H](NC(=O)C#CC3CC3)C2)o1 1192770974 WNLRJSJDKLZFFL-VXGBXAGGSA-N 304.350 -0.293 30 20 DBED C=C(C)C(C)(C)C(=O)N[C@@H]1CN([C@H]2CCN(C)C2=O)C[C@H]1O 1195277281 DWANKNOAPRFXKK-FRRDWIJNSA-N 309.410 -0.019 30 20 DBED C=C(C)C[C@H](C)C(=O)N[C@@H]1CN(Cc2nnn(C)n2)C[C@H]1O 1195532610 QYGVVUKBSPKYCE-QJPTWQEYSA-N 308.386 -0.526 30 20 DBED C[C@H]1CO[C@@H](C(=O)N2CCCN(CC(=O)NCC#N)CC2)C1 1196574425 PFXBOSDMJXCTIJ-CHWSQXEVSA-N 308.382 -0.415 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2nnc(CC)o2)C[C@H]1O 1199314039 NXGVJYMRAHENPN-QJPTWQEYSA-N 324.381 -0.116 30 20 DBED C=CCOCCNC[C@H]1CN(C(=O)CNC(N)=O)CCCO1 1199811529 PBLYCABHHXOFLX-LBPRGKRZSA-N 314.386 -0.936 30 20 DBED C#CCNC[C@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)C2)CCCO1 1200909967 CBUUCDUODFPIKM-OLZOCXBDSA-N 314.407 -0.739 30 20 DBED COCCC(=O)N1C[C@H]2CC[C@H]1[C@@H](NCC(=O)NCC#N)C2 1203866532 SXHYJXNLVBKIPB-AVGNSLFASA-N 308.382 -0.368 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)Cc2cc[nH]n2)[C@H](C)C1 1206698723 LHNSPAZGKCTMQC-DGCLKSJQSA-N 303.366 -0.862 30 20 DBED N#CCNC(=O)CN[C@H]1CCCN(C(=O)C[C@H]2CCOC2)C1 1207727429 GPXXOUBPTUWCDP-OLZOCXBDSA-N 308.382 -0.367 30 20 DBED C=CCNC(=O)[C@H](C)N[C@H]1CCCN(C(=O)CC(=O)NC)C1 1207901912 GBHAUVRQPZQDAR-RYUDHWBXSA-N 310.398 -0.606 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CCCN(C(=O)c2cn(C)nn2)C1 1207974677 JCGKOHVGOQBJBC-NWDGAFQWSA-N 320.397 -0.300 30 20 DBED C#CCCN[C@H]1CCCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)C1 1209940299 KUABVZAKGFWTIS-NSHDSACASA-N 320.349 -0.989 30 20 DBED C=CCn1cc(C(=O)N2CCC[C@@H](NCC(=O)NCC)C2)nn1 1210010805 QXZOEBHGIACIMR-GFCCVEGCSA-N 320.397 -0.206 30 20 DBED C#CCN1C[C@@H](NC(=O)CCC(=O)N2CCOCC2)[C@H](C)C1 1210824045 GVHIHZGIDFMOPP-ZIAGYGMSSA-N 307.394 -0.305 30 20 DBED CCS(=O)(=O)NCCN[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1C 1214338746 YUJAXRADOLFXBS-IJLUTSLNSA-N 316.427 -0.478 30 20 DBED CC#CCN[C@@H]1CN(C(=O)Cn2ccc(=O)n(C)c2=O)C[C@H]1C 1214780065 JJJGXLSGGGDTTE-CHWSQXEVSA-N 318.377 -0.993 30 20 DBED COC[C@H](O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)C#CC(C)(C)C 1217844370 ULMOWZOBXSUVSC-QLFBSQMISA-N 324.421 -0.045 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)CSC(C)C)C1 1219210595 QPDUKZCIQCFLNH-NEPJUHHUSA-N 313.423 -0.961 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(CCNC(=O)NC(C)C)C[C@@H]1O 1219539559 QCUJIKYAJLKAQB-KGLIPLIRSA-N 324.425 -0.341 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(CC(=O)N2CCCCC2)C[C@@H]1O 1219581258 KWUUHBCCXCQTOM-CABCVRRESA-N 321.421 -0.180 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2noc(CC)n2)C[C@@H]1O 1219611929 QJKYJZVGCPTKPW-NEPJUHHUSA-N 322.365 -0.667 30 20 DBED CCCCCCCN1C[C@H](O)[C@H](NC(=O)Cn2ncnn2)C1 1219638191 RAOHOGGYFJTUGZ-OLZOCXBDSA-N 310.402 -0.195 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@](C)(C=C)CC)C1 1220292324 VAGREZDOYPKJQP-DVOMOZLQSA-N 307.394 -0.501 30 20 DBED CC(C)C1(C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@@H]2O)CC1 1220325185 ZUAADWZWCWXDDA-NEPJUHHUSA-N 308.382 -0.776 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(Cc2cnn(C)n2)C[C@@H]1O 1221139898 SBJQQNPEPXKWGK-OLZOCXBDSA-N 309.370 -0.931 30 20 DBED C#CCOCCC(=O)NCC1CCN([C@@H](C)C(=O)NC)CC1 1223174574 IEQBXCMEYJQWPV-ZDUSSCGKSA-N 309.410 -0.011 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)[C@@H]2C[C@H]2OCC)CC1 1226227827 BLICDSMIYRWWGG-ZIAGYGMSSA-N 307.394 -0.259 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCC(NC(=O)c2cnnn2C)CC1 1227131241 GTBQBCITYSYWTN-LLVKDONJSA-N 320.397 -0.300 30 20 DBED C#CCN1CCC(NC(=O)CNC(=O)C2CCOCC2)CC1 1229656146 ZLWCIAHVJVUGQS-UHFFFAOYSA-N 307.394 -0.257 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)c1n[nH]c(C)c1O 1233633925 FUTUHPPVBVWRBY-NSHDSACASA-N 319.365 -0.681 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)c2ccc(C#C)nc2)C1 1267732184 HJJXEHJNYVWIPU-HNNXBMFYSA-N 310.357 -0.384 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N[C@@H]1CCS(=O)(=O)[C@@H]1C 1312354335 XIUKSOGETNOYKT-NXEZZACHSA-N 324.424 -0.538 30 20 DBED N#CCN1CCC(NC(=O)NCc2ccc(C(N)=O)nc2)CC1 1319030406 SUUSJDBMHFFMDI-UHFFFAOYSA-N 316.365 -0.032 30 20 DBED CN(CCC#N)S(=O)(=O)NCCCCCS(C)(=O)=O 1321366720 NIHXFMCNAYCPFN-UHFFFAOYSA-N 311.429 -0.119 30 20 DBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H](C)C(=O)N(C)C 1323950740 SSERPKDEGSHAIR-SRVKXCTJSA-N 311.382 -0.323 30 20 DBED COCC[C@H](NC(=O)C(=O)Nc1cccc(C#N)c1C)C(N)=O 1324382380 FFQAWTBVLSGPAU-LBPRGKRZSA-N 318.333 -0.188 30 20 DBED CC(C)O[C@@H]1CCN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)C1 1326229999 NDTHJDKIXURIBA-IUODEOHRSA-N 309.366 -0.111 30 20 DBED CCCN(C(=O)C(=O)N1CCO[C@H](C#N)C1)[C@H]1CCN(C)C1 1326264519 BXZUBXSALNRGFE-QWHCGFSZSA-N 308.382 -0.320 30 20 DBED CO[C@@H]1COC[C@H]1NC(=O)NCCN/C(O)=C1/N=CC=CC1=O 1326284710 YTHUUWLVCBWYAU-UOARKACSSA-N 324.337 -0.774 30 20 DBED N#C[C@]1(F)CCN(C(=O)C(=O)N[C@H]2CCc3c[nH]nc3C2)C1 1326641608 FPYXCYYWIMKSKM-IINYFYTJSA-N 305.313 -0.153 30 20 DBED C=CCCCNC(=O)C(=O)N1CCC(C(=O)NCCO)CC1 1330276736 FUCZSCMFVATJLC-UHFFFAOYSA-N 311.382 -0.584 30 20 DBED C[C@@H](CO)CCCNC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1330418331 NHGFPCDDWDTKEM-OCCSQVGLSA-N 322.409 -0.290 30 20 DBED CCN1C[C@H](C)N(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)C[C@@H]1C 1332375363 CSSUVDUJJCAREY-HEHGZKQESA-N 322.409 -0.195 30 20 DBED CON(C)C(=O)[C@@H](C)NC(=O)C(=O)Nc1cccc(C#N)n1 1335299706 DZGHRLFCIVFBBM-MRVPVSSYSA-N 305.294 -0.584 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N1CCN(C(=O)OCC)CC1 1343067958 IGHICNBOUUKYDL-NSHDSACASA-N 313.354 -0.396 30 20 DBED C=CCOCCNC(=O)C(=O)NC[C@H]1CCCCS1(=O)=O 1347345793 OHZVAPCXGOFZID-LLVKDONJSA-N 318.395 -0.611 30 20 DBED C[C@H](N)[C@@H]1CCN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1 1348715435 WTLFTTKHUKCDQU-SCRDCRAPSA-N 319.409 -0.619 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CCO[C@@H](C(C)C)C2)nn1 1349044629 BYVWBAUQSCKVTK-CYBMUJFWSA-N 321.381 -0.036 30 20 DBED C=CCN(C(=O)c1cn(C)c(=O)n1C)[C@@H]1CCS(=O)(=O)C1 1353875678 JMDFACOSUYETLO-SNVBAGLBSA-N 313.379 -0.461 30 20 DBED C[C@]1(NC(=O)CCn2cc(C#N)c(O)nc2=O)CCCOC1 1362382859 PHTXGJFGBWJEIA-AWEZNQCLSA-N 306.322 -0.104 30 20 DBED N#Cc1cn(CC(=O)N[C@H]2CCO[C@@H](C3CC3)C2)c(=O)nc1O 1362860567 RJIWXCILSRUFLC-NWDGAFQWSA-N 318.333 -0.106 30 20 DBED CC(=O)NCC(C)(C)C(=O)NCCn1cc(C#N)c(O)nc1=O 1363000856 KMKRKUNNZAIHKQ-UHFFFAOYSA-N 321.337 -0.901 30 20 DBED N#Cc1ccc(NC(=O)NC[C@@]2(O)CCS(=O)(=O)C2)nc1 1364409231 WOLICQKVSXZZOO-LBPRGKRZSA-N 310.335 -0.376 30 20 DBED C[C@H](C#N)C(=O)N1CCCN(C(=O)C2(NC(N)=O)CC2)CC1 1372110942 UHHNYGVLCMWRQQ-SNVBAGLBSA-N 307.354 -0.592 30 20 DBED C[C@H](C#N)C(=O)NCC1CN(C(=O)c2cc(C(N)=O)ccn2)C1 1374896686 BJNZCJPMGNEJOV-SECBINFHSA-N 315.333 -0.472 30 20 DBED C=C(Cl)CNCC1(O)CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1 1377357283 UCODTMIBOWIBSS-MNOVXSKESA-N 315.801 -0.197 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(CC(=O)Nc2nccs2)C1 1380582276 SNAWKYISRJEHOK-VIFPVBQESA-N 323.378 -0.596 30 20 DBED CCC(=O)NCC(=O)N[C@@H](C)CNC(=O)c1c[nH]c(C#N)c1 1386233215 RZMFNGCGUGJSJJ-VIFPVBQESA-N 305.338 -0.353 30 20 DBED CC(C)S(=O)(=O)CC(=O)N1CC(CNC(=O)[C@H](C)C#N)C1 1389922671 KMYABVXNHQYJBC-SNVBAGLBSA-N 315.395 -0.456 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H](C)CNC(=O)c1ccc(C(N)=O)[nH]1 1395174765 GJVHWEFAONMHCB-RKDXNWHRSA-N 305.338 -0.150 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)CC1CCN(C)CC1 1410124567 WQKUXFLMUAUPEC-AAEUAGOBSA-N 310.398 -0.529 30 20 DBED C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)N(C)C(=O)c1ncn(C)n1 1411520226 FXQTYPGZIIFJKE-VIFPVBQESA-N 315.337 -0.095 30 20 DBED C[C@H](CNC(=O)c1cc(=O)n(C)cn1)CNC(=O)[C@H](C)C#N 1416469391 CLQLPQPSSLADKD-VHSXEESVSA-N 305.338 -0.578 30 20 DBED CNC(=O)NC(=O)CNC[C@H](C)CNC(=O)c1cc(C#N)c[nH]1 1421669681 BSULNVIXAJXBAE-VIFPVBQESA-N 320.353 -0.703 30 20 DBED C=C(Cl)CNC[C@H](O)CNC(=O)[C@H](NC(N)=O)C(C)(C)C 1422406165 XIMXVFJTCSQRPX-UWVGGRQHSA-N 320.821 -0.111 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CN(C)C(=O)c1ccn(C)c(=O)c1 1425833586 LHHHGZNTUMKOHP-PWSUYJOCSA-N 320.349 -0.906 30 20 DBED C[C@H](CCNC(=O)c1cc(C#N)c[nH]1)NC(=O)[C@@H]1COC(=O)N1 1428994629 FUWAZRGSPFFGEL-KCJUWKMLSA-N 319.321 -0.381 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1ncc2ccccn12 1433309875 QKFUDFMMOICTHI-CMPLNLGQSA-N 315.333 -0.299 30 20 DBED CCNC(=O)C(C)(C)CNC(=O)Cn1cc(C#N)c(O)nc1=O 1433839378 SPRMRWGNVDFSBJ-UHFFFAOYSA-N 321.337 -0.901 30 20 DBED CC(C)CNC(=O)NC(=O)[C@@H](C)N1CC(NC(=O)[C@H](C)C#N)C1 1443460808 JYHLISMHVLXIAB-GHMZBOCLSA-N 323.397 -0.183 30 20 DBED COC(=O)C[C@@H]1C(=O)NCCN1S(=O)(=O)CC(C)(C)C#N 1462730032 HTTBPJYGRBUDHM-SECBINFHSA-N 317.367 -0.771 30 20 DBED CN(CCC#N)S(=O)(=O)NC[C@H]1CCCS(=O)(=O)C1 1463806593 IMWDSLMNXUATEZ-SNVBAGLBSA-N 309.413 -0.509 30 20 DBED N#C[C@H]1CC[C@@H](NC(=O)N2CC[C@@H](CS(N)(=O)=O)C2)C1 1470594537 USRURUQEPYMEDE-HBNTYKKESA-N 300.384 -0.001 30 20 DBED N#CCNC(=O)CN1CCC[C@@H](NC(=O)CC2OCCCO2)C1 1481524832 VMMPADRRBNJMFE-GFCCVEGCSA-N 324.381 -0.640 30 20 DBED C=C(Cl)CN[C@H](C)CN(C)C(=O)C[C@H](NC(C)=O)C(N)=O 1485930635 VPXZTSWDABAMED-KOLCDFICSA-N 318.805 -0.445 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1C[C@H](NCC(=O)NC2CCOCC2)C1 1488815826 CPIHMURFUWTNAA-OBJOEFQTSA-N 322.409 -0.074 30 20 DBED CCC(=O)N[C@@H](C)C(=O)NCCN(C)C(=O)c1cc(C#N)c[nH]1 1528253524 DGCIYZJRNBYOSR-JTQLQIEISA-N 319.365 -0.011 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)[C@@H](C)CN2CCOCC2)C1 1567900217 GOOKWGSCYMPRHA-JKSUJKDBSA-N 323.437 -0.205 30 20 DBED C#CC[C@H](NS(=O)(=O)c1c(C)nn(COC)c1C)C(=O)O 1573302313 AEIGFQGBQJGISH-JTQLQIEISA-N 315.351 -0.141 30 20 DBED CCN1C[C@H](CNc2cnc(C#N)c(-c3nn[nH]n3)n2)CC1=O 1578216122 YKOQLMMEBKJORG-QMMMGPOBSA-N 313.325 -0.191 30 20 DBED C#CCNC(=O)C1CCN(C(=O)[C@H]2C[C@@H](C)[C@H](C(=O)O)O2)CC1 1588479179 BDSLFIBLLUXSAQ-RAIGVLPGSA-N 322.361 -0.147 30 20 DBED CC(C)(C)c1n[nH]c(Cn2c(N)nc(-c3nn[nH]n3)c2C#N)n1 1589243830 IWCRIPJKYVGGGE-UHFFFAOYSA-N 313.329 -0.019 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCO[C@H](CC(=O)O)C1 1589330844 RUYBJSXXOIGXKV-VHSXEESVSA-N 305.356 -0.502 30 20 DBED Oc1ccc(/C=N/CCn2cnc(-c3nn[nH]n3)n2)c(O)c1O 1593540548 IPQIFGIQYAMWLT-WLRTZDKTSA-N 316.281 -0.306 30 20 DBED CN(CCOCCNC(=O)C#CC1CC1)C(=O)[C@@H]1C[C@@H]1C(=O)O 1598498142 ROLHTPSONDVSLM-OLZOCXBDSA-N 322.361 -0.288 30 20 DBED N#Cc1ccc(S(=O)(=O)CCN2CC[C@@](O)(C(=O)O)C2)cc1 1601110881 MGJPSYGMPYRGTK-AWEZNQCLSA-N 324.358 -0.147 30 20 DBED C[C@@](C#N)(CC(=O)O)C(=O)OC[C@H]1CCN(S(C)(=O)=O)C1 1602781975 MUEDUZVUDWTOKP-CABZTGNLSA-N 318.351 -0.184 30 20 DBED CC#CC[C@H](CO)NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 1602889909 OUIJYLLVXXTQEL-LLVKDONJSA-N 321.362 -0.081 30 20 DBED C#CCNC(=O)CN[C@H](C)CCNC(=O)c1ccc(O)nn1 1753002203 ZEZPEQNJTUWHRH-SNVBAGLBSA-N 305.338 -0.970 30 20 DBED COCC#CCN1CC(CNC(=O)CCn2cnccc2=O)C1 1753413335 ZRVOWRJKDCURPP-UHFFFAOYSA-N 318.377 -0.669 30 20 DBED COCC#CCNC[C@@H]1CCCN1C(=O)C1CN(C(C)=O)C1 1754608919 IASDSUKSMAQDKI-HNNXBMFYSA-N 307.394 -0.305 30 20 DBED C#CCNC[C@H](NC(=O)CC[C@H]1NC(=O)NC1=O)C1CCCC1 1754655953 IBPNUTXGYRQVHR-OLZOCXBDSA-N 320.393 -0.128 30 20 DBED C=C(C)CN1C[C@H]2CN(C(=O)C[C@H](NC(C)=O)C(N)=O)C[C@H]2C1 1754844226 DYERTGKVPNJKJS-MJBXVCDLSA-N 322.409 -0.667 30 20 DBED N#CCNC(=O)CNC[C@@H]1CN(C(=O)c2cncs2)CCO1 1754994102 FSFBTRNODCKWQN-SNVBAGLBSA-N 323.378 -0.787 30 20 DBED C=CCNCC1(O)CCN(C(=O)[C@@H](C)S(C)(=O)=O)CC1 1755151033 OTZUGOOGTIJXAK-LLVKDONJSA-N 304.412 -0.451 30 20 DBED C#CCNC(=O)CN1CC(CCO)(NC(=O)C(C)(C)C(C)C)C1 1755333771 QCKUSYNUTYPCGS-UHFFFAOYSA-N 323.437 -0.029 30 20 DBED C#CCCN1CC(CCO)(NC(=O)c2ccnc(OC)n2)C1 1755333889 MYECGZMRFFCOQH-UHFFFAOYSA-N 304.350 -0.325 30 20 DBED Cc1n[nH]cc1C(=O)NCC1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]12 1755427095 YVLHWGGPFXPOST-STQMWFEESA-N 316.365 -0.735 30 20 DBED C=CCCN1C[C@H]2[C@H](CNC(=O)CN3C(=O)CNC3=O)[C@H]2C1 1755435350 FECFEKPGIHTKEP-CNDDSTCGSA-N 306.366 -0.592 30 20 DBED Cc1nc(C(=O)N[C@H]2C[C@H](CNCC#N)C2)nn1-c1nc[nH]n1 1755475758 KFGDRJMQTOOTLC-MGCOHNPYSA-N 315.341 -0.685 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](CO)NCc1ncccn1 1755639400 PCGKKALDPFHLRX-XQQFMLRXSA-N 306.366 -0.366 30 20 DBED C#CCCN[C@H]1C[C@@H](C)N(C(=O)CCCN2C(=O)CNC2=O)C1 1755687912 DYDNSBLDCGXHDE-OLZOCXBDSA-N 320.393 -0.079 30 20 DBED N#CCNC(=O)CNC[C@H]1CC[C@H](NC(=O)Cc2ccon2)C1 1755726623 HZSCRQXJYVYLQU-RYUDHWBXSA-N 319.365 -0.269 30 20 DBED CC#CCNC[C@@H](O)CN(C)C(=O)CCn1cnccc1=O 1755791837 PACIXAUTOSHXHP-CYBMUJFWSA-N 306.366 -0.934 30 20 DBED CCn1nc(C(=O)N(C)CCOCCNCC#N)ccc1=O 1755876352 MLWFDRJVAITVQN-UHFFFAOYSA-N 307.354 -0.535 30 20 DBED N#CCSCC(=O)NC[C@H](CO)NC(=O)[C@@H]1CCCO1 1756503245 CZYYFUSNSOPNOX-ZJUUUORDSA-N 301.368 -0.985 30 20 DBED C#CCOCCC(=O)NC[C@@H](CO)NC(=O)c1ncoc1C 1756520780 DGINFRISJBGHFJ-NSHDSACASA-N 309.322 -0.770 30 20 DBED C#CCCCC(=O)N[C@H]1CCN(C(=O)CNC(=O)NC)[C@H]1C 1756563825 ODFUKWTWKMDREZ-RYUDHWBXSA-N 308.382 -0.176 30 20 DBED C=C[C@](C)(O)CC(=O)N(C)C[C@H](O)CNC(=O)c1ccn(C)c1 1756660815 NDYHWLZBMVJBQA-CJNGLKHVSA-N 323.393 -0.099 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(C(=O)c2cncn2C)C[C@@H]1O 1757562097 FBJFZMRXTQDMSW-AAEUAGOBSA-N 322.365 -0.686 30 20 DBED CCC(=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)S 1800987077 GDFRGLZZRVQSLS-GUDRVLHUSA-N 314.407 -0.127 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(OC)OC 1847691757 LAVCTXFUEGSRIC-AGIUHOORSA-N 324.377 -0.155 30 20 DBED C/N=C(/NCCNS(C)(=O)=O)N1CC[C@@]2(CCOC2)C1 157990480 TVLFHSDRMDEKDL-GFCCVEGCSA-N 304.416 -0.777 30 20 DBED C[C@@H]1CN/C(=N/Cc2ccc(C(=O)N3CCNC(=O)C3)cc2)N1 262655401 LMGMQDQTXVMQSM-LLVKDONJSA-N 315.377 -0.304 30 20 DBED C/N=C(/NCCN1CCOCC1)NCc1cccc(C(N)=O)c1 265006500 YOUMECNIOLJNEL-UHFFFAOYSA-N 319.409 -0.217 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(Cc2noc(CC)n2)CC1 266874713 SKZQEVQEDAMPLQ-LBPRGKRZSA-N 305.382 -0.113 30 20 DBED CN1C(=O)C(=O)N(CC(=O)N[C@H](C#N)C2CCCCC2)C1=O 267265212 OZQPZXVXFCRLJD-SNVBAGLBSA-N 306.322 -0.004 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H](CO)C2)C1=O 269070434 FLICMVRAKNXBJP-SNVBAGLBSA-N 309.322 -0.806 30 20 DBED C=CCNC(=O)CNC(=O)CCCS(=O)(=O)N1CCCC1 271953633 CJXHVVMVEKFORJ-UHFFFAOYSA-N 317.411 -0.389 30 20 DBED C[C@@H](NC(=O)C(=O)NCC(=O)N(C)C)c1ccc(C#N)cc1 275697280 QBTKWXUCQWGDRL-SNVBAGLBSA-N 302.334 -0.060 30 20 DBED N#Cc1cncc(S(=O)(=O)NCCCCS(N)(=O)=O)c1 312532049 JWWWHDIQPXXENK-UHFFFAOYSA-N 318.380 -0.700 30 20 DBED Cc1nn(C)c(N)c1C(=O)N(CCC#N)CCN1CCOCC1 339820065 CKOPZHKPKBEXHL-UHFFFAOYSA-N 320.397 -0.001 30 20 DBED C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C#N)cn2)C[C@H](CO)O1 340360913 QQEZFQOHDSXWPQ-MWLCHTKSSA-N 304.306 -0.500 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@](C)(CO)CCC)C1=O 354120881 ANSQQMUFZZSSHE-CQSZACIVSA-N 311.338 -0.370 30 20 DBED N#Cc1ccc(NC(=O)C(=O)N2CCO[C@H](C(N)=O)C2)cc1F 354173615 MJBJUYRAXIMMJN-NSHDSACASA-N 320.280 -0.651 30 20 DBED CCN(CCC#N)S(=O)(=O)c1cnn(CC(=O)OC)c1 360392280 BUPNRZUAIPGLIE-UHFFFAOYSA-N 300.340 -0.020 30 20 DBED CS(=O)(=O)N1CC[C@H](NC(=O)c2cccc(C#CCO)c2)C1 400218420 MOFNVNCSIZBFED-AWEZNQCLSA-N 322.386 -0.206 30 20 DBED C#CCN1CCN(C(=O)CN2C(=O)NC3(CCC3)C2=O)CC1 490762606 INLYZASRYXJKJH-UHFFFAOYSA-N 304.350 -0.762 30 20 DBED CC(C)NC(=O)C(=O)N1CCN(c2cncc(C#N)n2)CC1 577503605 IVBBACSHAVJNRJ-UHFFFAOYSA-N 302.338 -0.479 30 20 DBED C[C@H]1C[C@@H](C)[C@H](CN)CN1c1c(C#N)c(=O)n(C)c(=O)n1C 596014891 VWXRBNKTXXVUPD-OUAUKWLOSA-N 305.382 -0.235 30 20 DBED N#Cc1cccc(C(=O)N2CCCC[C@@H]2CNS(N)(=O)=O)n1 597736657 MQYZHPCVPHQFCE-LLVKDONJSA-N 323.378 -0.259 30 20 DBED C[C@@H]1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)C[C@H]1CO 598624129 DYBDESIZFHFENH-WOPDTQHZSA-N 303.384 -0.594 30 20 DBED N#Cc1ccccc1OC[C@H](O)CN[C@@]1(C(N)=O)CCOC1 599454376 LZLPTVKFDRVGQK-DOMZBBRYSA-N 305.334 -0.468 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)Nc2c[nH]ccc2=O)C1=O 623210180 IPPDOLXIPJYUNS-UHFFFAOYSA-N 304.262 -0.710 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2[C@H](C)CC[C@@H]2C(=O)O)C1=O 653316365 IVAHBPMSIUAXTH-RKDXNWHRSA-N 323.305 -0.573 30 20 DBED CC#CC[C@@H](CO)NC(=O)CS[C@@H]1CCS(=O)(=O)C1 717748965 LAHNMXRTYNKPEU-WDEREUQCSA-N 305.421 -0.203 30 20 DBED N#CCN(CC(=O)O)C(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 739076500 XIUKBVQNCYFKFH-NSHDSACASA-N 316.317 -0.133 30 20 DBED CN1CC(=O)N(CC(=O)OCC(=O)N[C@](C)(C#N)C2CC2)C1=O 749365405 OOBPMCZHQVBDDX-CQSZACIVSA-N 322.321 -0.768 30 20 DBED C#CCNC(=S)NCCS(=O)(=O)NC[C@H]1CCCCO1 758227974 CRTDXUWATINXJQ-LLVKDONJSA-N 319.452 -0.428 30 20 DBED C#CCN1CCN(C(=O)CCC[C@@]2(C)NC(=O)NC2=O)CC1 771843527 XIVDXGCHJXAARE-OAHLLOKOSA-N 306.366 -0.468 30 20 DBED C#CCOCCNC(=O)N1CCC(NS(=O)(=O)CC)CC1 784547708 ASKZNYCFCYCGOC-UHFFFAOYSA-N 317.411 -0.251 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H](C)c1nnnn1C1CC1 800127322 LOXDEWHLIPRXBB-BDAKNGLRSA-N 313.387 -0.005 30 20 DBED COCC#CCOC(=O)C(=O)c1cc(S(N)(=O)=O)cn1C 803862558 MENWCVFFKJNSPP-UHFFFAOYSA-N 314.319 -0.952 30 20 DBED C#C[C@@H](NC(=O)C(=O)N1CCCN(CC)CC1)[C@@H]1CCCO1 809306364 PSCPYBCKPZTLCO-KGLIPLIRSA-N 307.394 -0.162 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)OCc2cnns2)C1=O 813366829 TVEQQJBVTKIATI-UHFFFAOYSA-N 310.291 -0.442 30 20 DBED C[C@](C#N)(CC(=O)O)C(=O)N1CCC(C(=O)NCCO)CC1 819812372 ZPQNHOPAQIITBU-CQSZACIVSA-N 311.338 -0.662 30 20 DBED Cc1csc2ncc(C(=O)N[C@@H]3CNC[C@H]3C#N)c(=O)n12 834483823 ADPWPTXASOINLR-PSASIEDQSA-N 303.347 -0.094 30 20 DBED C#CC[C@@H](CO)NC[C@@H](O)Cn1c(-c2ccccc2)noc1=O 843077363 NXZOXVWISMCGGW-UONOGXRCSA-N 317.345 -0.162 30 20 DBED C=C[C@@H](C)ONC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 846541182 DYEDFGTUPSEWLJ-MRVPVSSYSA-N 307.310 -0.944 30 20 DBED C#CCN1CCC[C@H](NC(=O)NC[C@H](C)S(C)(=O)=O)C1 884236649 AZFUJFKMYTWDKR-RYUDHWBXSA-N 301.412 -0.184 30 20 DBED C#CCN1CCC[C@H](NC(=O)NCC(=O)N2CCOCC2)C1 884258416 UPNYMEFLAGIIJJ-ZDUSSCGKSA-N 308.382 -0.758 30 20 DBED C#CC1(O)CN(C(=O)NC2CCN([C@H]3CCC[C@H]3O)CC2)C1 893743303 PODFVYAUXHMWDP-UONOGXRCSA-N 307.394 -0.246 30 20 DBED CCS(=O)(=O)N1CCC[C@@H](C(=O)NCC#CCN(C)C)C1 913517586 HNVQUIPYYWEFDX-CYBMUJFWSA-N 315.439 -0.271 30 20 DBED CN(CC(=O)OCC(=O)N[C@@](C)(C#N)C1CC1)S(C)(=O)=O 914924617 FYCXXFHKOVTRNL-LBPRGKRZSA-N 317.367 -0.771 30 20 DBED C[C@@H]1C[C@H](NC(=O)CN2CCCS2(=O)=O)CCN1CC#N 947365527 OLSLPLPWDZRJHZ-VXGBXAGGSA-N 314.411 -0.485 30 20 DBED O=C(N[C@@H]1[C@H]2C[C@H]1N(C(=O)C#CC1CC1)C2)c1cncnc1O 947382134 RTBURDOCXMLFLX-ZKYQVNSYSA-N 312.329 -0.075 30 20 DBED CN(C(=O)[C@@H]1CCC(=O)N1)C1CN(C(=O)c2ccc(C#N)[nH]2)C1 954913888 BCQDEUJAYCNWEX-NSHDSACASA-N 315.333 -0.552 30 20 DBED C=CCCN1C[C@H](CNC(=O)C2CS(=O)(=O)C2)[C@@H](O)C1 958096965 SONKCMWLNBYZMI-JQWIXIFHSA-N 302.396 -0.984 30 20 DBED C=CCN1C[C@H](CNC(=O)c2cnc3cccnn23)[C@@H](O)C1 958468365 XDSXLYZDXYVPKJ-AAEUAGOBSA-N 301.350 -0.062 30 20 DBED C#CCCN1C[C@H](O)[C@H](CNC(=O)c2cnn3cc[nH]c23)C1 958618129 IREXMSRALVRBGZ-YPMHNXCESA-N 301.350 -0.292 30 20 DBED Cc1cc(C(=O)N(C)[C@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)n[nH]1 958669311 DIAWABJOHGKKNR-UWJYBYFXSA-N 305.338 -0.479 30 20 DBED C#CCCN1C[C@@H]2C(NC(=O)c3cn(CCOC)nn3)[C@H]2C1 959882040 URUSMSOFXLEEQF-RYUDHWBXSA-N 303.366 -0.392 30 20 DBED C=C(C)CCN1C[C@H]2C(NC(=O)CN3CCN(C)C(=O)C3)[C@@H]2C1 960661511 OYQIIPJZGXFFHA-ZIAGYGMSSA-N 320.437 -0.227 30 20 DBED C#CCN1C[C@H]2[C@H](NC(=O)c3cn(C[C@@H]4CCOC4)nn3)[C@H]2C1 962176152 MRROKSJGSMYFBJ-RMRHIDDWSA-N 315.377 -0.392 30 20 DBED CCc1ncncc1C(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1O 963664793 VTQWYXSHZBLWLU-BIMULSAOSA-N 317.349 -0.500 30 20 DBED C=C1CC(C)(C(=O)N[C@H]2COC3(C2)CN(C(=O)CC(N)=O)C3)C1 965807745 NEXHHOCFDPYWDC-LLVKDONJSA-N 321.377 -0.296 30 20 DBED C[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1NC(=O)c1cnn[nH]1 966338665 VLBIHEGDEVSVFX-QPUJVOFHSA-N 313.321 -0.105 30 20 DBED C=CCn1cc(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3C)C2)nn1 969544617 HNCRMZWEKHUFCB-UZWSLXQKSA-N 319.365 -0.578 30 20 DBED CCc1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)n(C)n1 970066481 HUBDBYKRVQIDCA-NDMJEZRESA-N 319.365 -0.556 30 20 DBED N#CCN1CCO[C@]2(CCN(C(=O)c3nccnc3N)C2)C1 972307844 FKCODCALXSFEJE-CQSZACIVSA-N 302.338 -0.501 30 20 DBED N#CCN1CCO[C@]2(CCN(C(=O)CO[C@H]3CCOC3)C2)C1 972378681 SWTDEABTTPPBLO-DZGCQCFKSA-N 309.366 -0.381 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)c3cn(C)ccc3=O)C2)C1 972458273 JABLDMIMSRGBQS-KRWDZBQOSA-N 315.373 -0.065 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)Cn3ccccc3=O)C2)C1 972668830 DLSVQINJGTWOFU-QGZVFWFLSA-N 315.373 -0.215 30 20 DBED CN(C[C@H]1CCN1C(=O)C#CC1CC1)C(=O)[C@@H]1COCCO1 977391807 FDWAXYOICBMYRT-KGLIPLIRSA-N 306.362 -0.126 30 20 DBED COCCn1ccc(C(=O)NCC2[C@@H]3CN(CC#N)C[C@@H]23)n1 978489442 SGXYKRUWOXUWKX-STQMWFEESA-N 303.366 -0.039 30 20 DBED C#CCN1C[C@H]2[C@H](CNC(=O)c3cn([C@H]4CCOC4)nn3)[C@H]2C1 978968658 LXGHVMDVIGRFKU-XDQVBPFNSA-N 315.377 -0.220 30 20 DBED C#CCN[C@H]1CCN(C(=O)Cc2c(C)nc(O)nc2O)[C@@H]1C 987238377 RTDWBEZHNDOQAU-PWSUYJOCSA-N 304.350 -0.049 30 20 DBED C=CCCn1cc(C(=O)NC2CN(C(=O)[C@@H]3CCCO3)C2)nn1 991979356 JFVSXCSPFZRDDM-ZDUSSCGKSA-N 319.365 -0.026 30 20 DBED C#CCCN1CCC[C@@H](NC(=O)CN2CCNC(=O)C2)[C@H]1C 993702520 PJVUWHJHEWNMLE-ZIAGYGMSSA-N 306.410 -0.589 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](C)[C@H](CNC(=O)c2cn(C)nn2)C1 993963522 HHBNQVIXPJZCPY-HBNTYKKESA-N 304.354 -0.201 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)[C@H]2CCn3ccnc3C2)C1 994605416 XAYPOMYDBIRXST-QWRGUYRKSA-N 301.350 -0.068 30 20 DBED C=C(C)CNC1CCN(C(=O)c2cn(CC(N)=O)nn2)CC1 997368193 RGHLKHWQUDVLED-UHFFFAOYSA-N 306.370 -0.466 30 20 DBED CC(=O)N1CC(C(=O)N[C@H]2CN(C(=O)[C@H](C)C#N)CC2(C)C)C1 1008095578 NUXKHJXSTBKZOF-MFKMUULPSA-N 320.393 -0.022 30 20 DBED N#Cc1ccc(C(=O)N[C@@]23CCC[C@@H]2N(C(=O)C(N)=O)CC3)[nH]1 1014248007 GGELXSPRTXBTQY-XHDPSFHLSA-N 315.333 -0.375 30 20 DBED CC(=O)N1CCO[C@H](C(=O)N2[C@H]3CC[C@H]2CN(CC#N)C3)C1 1018226976 XPMJTTLIGHQEDU-IHRRRGAJSA-N 306.366 -0.568 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@H](NCC(=O)N2CCC2)C1 1018986282 XKHJCLCTLCGAOW-GJZGRUSLSA-N 318.421 -0.493 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CSC)C[C@H]1O 1025709606 RMAQLJRCHBOFLJ-KKOKHZNYSA-N 314.407 -0.372 30 20 DBED C=CCN1CC[C@@H](N2CCC[C@@H]2CNC(=O)c2nc[nH]n2)C1=O 1028211407 PRTBDIMBKVYJTP-VXGBXAGGSA-N 318.381 -0.214 30 20 DBED N#Cc1c[nH]c(C(=O)NC2CN(C[C@H](O)Cn3cccn3)C2)c1 1030199115 YTJIEDYFISHPLY-ZDUSSCGKSA-N 314.349 -0.442 30 20 DBED Cn1nnnc1CN1CC(CNC(=O)c2ccc(C#N)[nH]2)C1 1031619104 JZMLJFPXJZTTRQ-UHFFFAOYSA-N 300.326 -0.728 30 20 DBED C=CCN1CC[C@H](N2CC(CNC(=O)c3cccnn3)C2)C1=O 1032067423 XFCUXFJHZPMJHP-AWEZNQCLSA-N 315.377 -0.075 30 20 DBED CC#CCN1C[C@@H]2C[C@H]1CN2C(=O)C1CC2(C1)NC(=O)NC2=O 1032679095 DVXGWZXGUKGXML-SLMGRZLQSA-N 316.361 -0.717 30 20 DBED C#CCCN1CC[C@H](N(C)C(=O)C2CC3(C2)NC(=O)NC3=O)C1 1033500159 VWMDVZCIHSBCLQ-BGMSHATGSA-N 318.377 -0.469 30 20 DBED N#Cc1c[nH]c(C(=O)N2CCC[C@@H]2CN[C@@H]2CCNC2=O)c1 1034895853 SMIKUTCHSXEPSO-VXGBXAGGSA-N 301.350 -0.031 30 20 DBED C=C(Cl)CN1CCO[C@H](CNC(=O)[C@@H]2COCCN2C)C1 1035332369 BBDGRRUXSCGUBT-OLZOCXBDSA-N 317.817 -0.114 30 20 DBED CNC(=O)c1ccc(C(=O)NC[C@@H]2CN(CC#N)CCO2)cn1 1035581468 CDJWAVAZUXREGX-GFCCVEGCSA-N 317.349 -0.605 30 20 DBED C#CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)Cn1nnc(-c2ccco2)n1 1037473528 QKVYOUFZEQTBBZ-UHIISALHSA-N 312.333 -0.245 30 20 DBED C#CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)Cn1nc2n(c1=O)CCCC2 1037665560 XQWBWLDLARSUQL-XUJVJEKNSA-N 315.377 -0.797 30 20 DBED Cc1nccc(C(=O)NC[C@]2(O)CCN(C(=O)[C@@H](C)C#N)C2)n1 1039778649 CYOWDXOURYOTGX-ZUZCIYMTSA-N 317.349 -0.362 30 20 DBED C[C@H]1[C@@H](Nc2nccnc2C#N)CCN1C(=O)[C@H]1CNC(=O)N1 1040234962 XYTBJLIWUDYWTJ-ATZCPNFKSA-N 315.337 -0.569 30 20 DBED C#CCN1CCC2(CC1)CCN(C(=O)C[C@@H]1NC(=O)NC1=O)C2 1040731515 LMFBMYOZEIOHAM-LBPRGKRZSA-N 318.377 -0.468 30 20 DBED N#Cc1cnc(N2C[C@@H](O)[C@H](NC(=O)c3cnccn3)C2)cn1 1040919300 XNPIWUZNUDIHPT-VXGBXAGGSA-N 311.305 -0.882 30 20 DBED C#CCN1CC[C@@]2(CCN(C(=O)[C@H]3CCS(=O)(=O)C3)C2)C1 1041450246 CHGAKIIANDOPHG-DZGCQCFKSA-N 310.419 -0.021 30 20 DBED C=C(C)CCC(=O)N1CC(O)(CNC(=O)CN(C)C(C)=O)C1 1041574196 AXVUZCMUNFKXMJ-UHFFFAOYSA-N 311.382 -0.490 30 20 DBED C=CCCOCC(=O)N1CC(O)(CNC(=O)c2cc[nH]n2)C1 1041609330 VBQASKCJCWSYPM-UHFFFAOYSA-N 308.338 -0.695 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(O)CN(C(=O)CCCOC)C1 1042805840 ACORQZXYSNTXTO-AWEZNQCLSA-N 314.382 -0.570 30 20 DBED Cc1ccnc(C(=O)NCC2(O)CN(C(=O)[C@@H](C)C#N)C2)n1 1042833941 MODUDBAGOGWXAS-VIFPVBQESA-N 303.322 -0.752 30 20 DBED CN(CC(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1)C1CCC1 1042964561 JCOANWMHAKPEAQ-UHFFFAOYSA-N 319.405 -0.426 30 20 DBED CC(C)N(C)CC(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042964580 KEMGQUPVSCLHOZ-UHFFFAOYSA-N 307.394 -0.571 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)C2CC3(CC3)C2)C1 1043041905 LTQVFEMCUPCHAH-GFCCVEGCSA-N 320.389 -0.096 30 20 DBED C[C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1N=c1cc[nH]cc1C#N 1043184900 DSWRUTDVDLHXAM-BXUZGUMPSA-N 311.349 -0.074 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2ccns2)C1 1043330349 NQBSIZWQCSABEV-JTQLQIEISA-N 323.374 -0.516 30 20 DBED C=CCCOCC(=O)NCC1(O)CN(C(=O)c2ccn(C)c2)C1 1043565241 LUYKAUNZYUBKFD-UHFFFAOYSA-N 321.377 -0.079 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)c3ncccn3)C2)cn1 1044130113 UUYVBOACXMFXPU-OLZOCXBDSA-N 310.317 -0.277 30 20 DBED C=C(C)C(C)(C)C(=O)NCC1(O)CN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 1044404891 MCTWOPGBZKZDBH-MNOVXSKESA-N 323.393 -0.600 30 20 DBED C=CC(C)(C)CC(=O)N1CC(O)(CNC(=O)[C@@H]2CCNC2=O)C1 1044441370 AYWYLVLFYDCXFU-LLVKDONJSA-N 323.393 -0.586 30 20 DBED CC#CCCCC(=O)NCC1(O)CN(C(=O)C2=COCCO2)C1 1045002771 FMSPRDAYSXJRNO-UHFFFAOYSA-N 322.361 -0.242 30 20 DBED C#CCNC(=O)CC(=O)N1CC(O)(CNC(=O)C(C)(C)CC)C1 1045466262 NPEUNZOCELHXCD-UHFFFAOYSA-N 323.393 -0.748 30 20 DBED C#CCN1[C@H]2CC[C@H]1CN(C(=O)c1nccnc1C(N)=O)CC2 1045888055 VBCDCUKYLOTOGP-RYUDHWBXSA-N 313.361 -0.112 30 20 DBED C#CCN1CC[C@@H](N2CCN(C(=O)[C@@H]3CN(C)CCO3)CC2)C1 1046014533 ZBXJRMZDRFRYTL-CVEARBPZSA-N 320.437 -0.831 30 20 DBED C#Cc1cncc(C(=O)NCC2(O)CN(C(=O)COCC)C2)c1 1046332424 QLUAAXCERLPWDG-UHFFFAOYSA-N 317.345 -0.598 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3nc(C)[nH]c3C2)C1 1047436415 ZJJAMFRHEPXVKO-KCXAZCMYSA-N 316.405 -0.040 30 20 DBED COCc1nc(C(=O)N(C)[C@H]2CN(CC#N)C[C@@H]2O)cs1 1047645035 BJZGVKXLCOAHGG-QWRGUYRKSA-N 310.379 -0.070 30 20 DBED CNC(=O)CC(=O)N(C)[C@H]1CN(C(=O)C#CC(C)(C)C)C[C@@H]1O 1048730036 QUYBLEGSCBLIJD-RYUDHWBXSA-N 323.393 -0.798 30 20 DBED CC#CCN1CC[C@H]2[C@H]1CCCN2C(=O)Cn1c(O)nnc1O 1049867821 PRMZEMWXXJWLDS-NEPJUHHUSA-N 319.365 -0.222 30 20 DBED CC#CCN1C[C@@H]2CCCN(C(=O)[C@H]3CN(C)C(=O)N3)[C@@H]2C1 1050113189 PPKFYAZFJOBWIX-BFHYXJOUSA-N 304.394 -0.044 30 20 DBED C#CCCN1C[C@@H]2CCCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)[C@@H]2C1 1050138501 GZYIIBRWMXWIEG-LJISPDSOSA-N 319.405 -0.035 30 20 DBED C=CCOCC(=O)N1CC[C@H]([C@@H](C)NC(=O)c2cn(C)nn2)C1 1050296489 GQPGPXLAYQUCRN-NEPJUHHUSA-N 321.381 -0.016 30 20 DBED C#CCN1CC2(C1)CN(C(=O)Cn1cccc(C)c1=O)CCO2 1053255551 OOEHNEAWTVPZPW-UHFFFAOYSA-N 315.373 -0.297 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)CO2)C1 1053880289 NDZUMCCQNKBTGD-RFQIPJPRSA-N 321.377 -0.479 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)[C@H]3CCc4nn[nH]c4C3)CO2)C1 1053981948 ZCCWLXDHQLBARY-NWDGAFQWSA-N 315.377 -0.498 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H]2CN(C(=O)C(C)C)C[C@H]2C1 1055171047 TYECBKMPXPHELP-BETUJISGSA-N 305.378 -0.301 30 20 DBED CN1C(=O)CC[C@H]1C(=O)N1CCN(c2ccc(C#N)nn2)CC1 1055978350 RUYXOPUWJDDHCI-LBPRGKRZSA-N 314.349 -0.382 30 20 DBED C=CCOCC(=O)N1CCC[C@H]2[C@H]1CCN2C(=O)CC(=O)NC 1056312273 ZJKSNPBPWKQOHU-QWHCGFSZSA-N 323.393 -0.083 30 20 DBED N#Cc1ccc(N2C[C@H]3[C@H](NC(=O)[C@H]4CCNC4=O)[C@H]3C2)nc1 1056356100 RQRXYZWVXQJWBA-CIQGVGRVSA-N 311.345 -0.360 30 20 DBED C[C@@]1(C(=O)N2CC[C@@H](N=c3cc[nH]cc3C#N)C2)CCNC1=O 1056777460 YPACNHDFAYHCQM-MLGOLLRUSA-N 313.361 -0.086 30 20 DBED CN(c1ccc(C#N)nn1)[C@@H]1CCN(C(=O)c2cnnn2C)C1 1056907993 DJVFGQDRRCIKNR-LLVKDONJSA-N 312.337 -0.172 30 20 DBED CN(c1nccnc1C#N)[C@H]1CCN(C(=O)Cn2ncnn2)C1 1056967708 IJEINFJEYWHVRM-JTQLQIEISA-N 313.325 -0.928 30 20 DBED N#Cc1cnc(N2CCCN(C(=O)C3(C(N)=O)CC3)CC2)cn1 1057222440 RHUCRHALOGICDU-UHFFFAOYSA-N 314.349 -0.348 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)Cn1cncn1 1057445069 GEAZHQBHSHNOMZ-UHFFFAOYSA-N 307.354 -0.981 30 20 DBED CC(C)(C)C#CC(=O)N(CCO)CCNC(=O)[C@H]1CCNC1=O 1057539957 AUUFPHSYGCQLNS-LBPRGKRZSA-N 323.393 -0.891 30 20 DBED CCOc1cc(C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N)[nH]n1 1057932250 RDIVXSPEBBABNO-JTQLQIEISA-N 323.353 -0.481 30 20 DBED C[C@@H]1CO[C@H](C(=O)N(CCO)CCNC(=O)C#CC2CC2)C1 1058327286 RQANHSQHETVTNM-JSGCOSHPSA-N 308.378 -0.238 30 20 DBED CN1C(=O)CC[C@@H]1C(=O)N1CC[C@H](N=c2cc[nH]c(C#N)n2)C1 1059037968 OIHSEXDUKDCWRK-WDEREUQCSA-N 314.349 -0.596 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@H](CCNC(=O)CNC(C)=O)C1 1059646610 UTSMXBFVEANIKS-OCCSQVGLSA-N 323.393 -0.484 30 20 DBED C[C@@H](C#N)C(=O)NCC[C@H]1CCN(C(=O)Cn2cncn2)C1 1060424754 SVAADZVANOCRLY-RYUDHWBXSA-N 304.354 -0.207 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCOC[C@H]1CNC(=O)CCOC 1061160748 OYFRPKPBIXPECM-IUODEOHRSA-N 314.382 -0.306 30 20 DBED C=CCCCC(=O)N1CCOC[C@@H]1CNC(=O)[C@H]1CNC(=O)N1 1061828166 PWTHVMVHPMFCPG-NWDGAFQWSA-N 324.381 -0.632 30 20 DBED C=CCCCC(=O)NC[C@H]1COCCN1C(=O)[C@H]1C[C@H]1C(N)=O 1061831234 RDSUOLOSIVMFCZ-XQQFMLRXSA-N 323.393 -0.192 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)c1cncnc1O 1061853693 UPBMRHXWHNAOCR-VHSXEESVSA-N 319.321 -0.701 30 20 DBED C=CCOCC(=O)N1CCCC[C@@H]1CNC(=O)[C@@H]1CCC(=O)N1 1062067876 FKQIZDTZLGBDOZ-OLZOCXBDSA-N 323.393 -0.035 30 20 DBED C[C@@H](N=c1cc[nH]c(C#N)n1)[C@H]1CCCN(C(=O)CC(N)=O)C1 1063874807 NPUSJJBCQXJLGL-MNOVXSKESA-N 316.365 -0.315 30 20 DBED N#Cc1cncc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)Cn2cccn2)n1 1064215501 AJCHTUBSNFSUHF-IFUGULHKSA-N 309.333 -0.062 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)[C@H](C)NC(C)=O)CCO1 1064818388 PLIZXTCPURSVMF-GXTWGEPZSA-N 323.393 -0.342 30 20 DBED C=CCOCC(=O)N1CCO[C@@H](CNC(=O)c2cc[nH]n2)C1 1064976707 OKJCZTLFPYDIEV-NSHDSACASA-N 308.338 -0.431 30 20 DBED CCN(CC)CC(=O)NC[C@@H]1CN(C(=O)[C@@H](C)C#N)CCO1 1065555973 CKFVTMMMLWYDHH-QWHCGFSZSA-N 310.398 -0.169 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)CCCN(C)C(=O)CC(=O)NC 1067261927 AVHHPNLJFAVERE-LBPRGKRZSA-N 311.382 -0.532 30 20 DBED C#CCOCCC(=O)N(C)CCCN(C)C(=O)[C@H]1C[C@H]1C(N)=O 1067427277 HRBUUBIDYKIDTA-OLZOCXBDSA-N 323.393 -0.545 30 20 DBED Cn1cnc(C(=O)NCC2[C@@H]3CN(c4nccnc4C#N)C[C@@H]23)n1 1068171496 ZOOQFDRZRGAGPE-QWRGUYRKSA-N 324.348 -0.411 30 20 DBED CC(C)(C)C#CC(=O)N1CC2(CC[C@@H](CNC(=O)C(N)=O)O2)C1 1068617272 VRMMBXWXPMEWRZ-NSHDSACASA-N 321.377 -0.603 30 20 DBED C[C@@H]1C[C@H](Nc2cncc(C#N)n2)CN1C(=O)c1nnn(C)n1 1069178150 KTPDVCSFYDVQPT-BDAKNGLRSA-N 313.325 -0.413 30 20 DBED N#Cc1nccnc1N[C@@H]1CCC[C@@H]2CN(C(=O)C(N)=O)C[C@H]21 1069319014 OKUDXANXLJCUQD-GMTAPVOTSA-N 314.349 -0.127 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@H](OC)C2CC2)C[C@@H]1n1ccnn1 1070187770 QCOQYYDYTVMWHU-HZSPNIEDSA-N 303.366 -0.322 30 20 DBED N#CCN1C[C@H]2C[C@@H]3CN(C(=O)CN4CCCC4=O)C[C@@]3(C1)O2 1070756934 GLZYEQYMGKPCDS-XJKCOSOUSA-N 318.377 -0.566 30 20 DBED CNC(=O)CN1C[C@H]2C[C@@H]3CN(C(=O)[C@@H](C)C#N)C[C@@]3(C1)O2 1070771786 BRZRMDJNFDKKJW-FUTJPDQTSA-N 306.366 -0.806 30 20 DBED C#CCN1CC[C@@]2(C1)CN(C(=O)Cc1n[nH]c(C)n1)C[C@@H](C)O2 1071166869 PBLIITXXYXDXDP-MLGOLLRUSA-N 317.393 -0.019 30 20 DBED C=CCOCC(=O)N1C[C@H](C)[C@@H](NC(=O)Cc2nc[nH]n2)C1 1071810865 DXAKYUCTKCIELR-QWRGUYRKSA-N 307.354 -0.487 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(C(=O)C#CC(C)C)C[C@H]1C 1072035458 LVZOEKXUSQBLCE-ZIAGYGMSSA-N 317.389 -0.252 30 20 DBED CC(C)C#CC(=O)N1C[C@H](C)[C@H](NC(=O)c2nnn(C)n2)C1 1072051900 JSSDEJRIGZHOAA-WDEREUQCSA-N 304.354 -0.554 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(C(=O)CCNC(N)=O)C[C@@H]1C 1072073848 GEITUELSZFKGCS-NWDGAFQWSA-N 324.381 -0.952 30 20 DBED C[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1NC(=O)C#CC1CC1 1072390872 VTCLENCWEAYDQK-ZWNOBZJWSA-N 301.350 -0.195 30 20 DBED C=CCCC(=O)N[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@H]1C 1072516620 XFDJYPGNBOYYOJ-GHMZBOCLSA-N 322.365 -0.533 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(C(=O)CC(=O)NC)C[C@H]1C 1073819814 JSMSKVOLFWUJAR-VXGBXAGGSA-N 311.382 -0.322 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)[C@@H]2CCCC(=O)N2C)C1 1073873835 LRYGUHSNOSMHMH-KGLIPLIRSA-N 307.394 -0.162 30 20 DBED Cn1cccc(C(=O)N2CC[C@H]3OCCN(CC#N)[C@H]3C2)c1=O 1074382401 KFFZERXMRMSZHL-UONOGXRCSA-N 316.361 -0.176 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCC(O)(CNC(=O)COC)CC1 1074622340 GECTYBNIMBPZIL-LBPRGKRZSA-N 314.382 -0.306 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)Cc2n[nH]c3c2CCCC3)C1 1076999153 GDWYNLVVOUZLBW-HUUCEWRRSA-N 302.378 -0.375 30 20 DBED C[C@@H](CCNC(=O)c1cn(C)c(=O)n1C)NC(=O)[C@@H](C)C#N 1077039742 MIPHMRCSFNFAIU-UWVGGRQHSA-N 307.354 -0.492 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2ccc(Cn3cccn3)o2)C1 1077042305 AYONVPWLIOFLOV-ZIAGYGMSSA-N 314.345 -0.068 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)c1ccsn1 1077083960 DFRYJLAJZDYIBD-JTQLQIEISA-N 322.390 -0.093 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H](N(C)C(=O)CNC(N)=O)CC1 1078814723 DDYZOQXGAKLVFP-GHMZBOCLSA-N 309.370 -0.346 30 20 DBED C=CCn1cc(C(=O)N2C[C@H](CNC(=O)CC)[C@@H](O)C2)nn1 1081143431 AJYZEJYTSKBGOS-JQWIXIFHSA-N 307.354 -0.577 30 20 DBED C=CC(C)(C)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2nc[nH]n2)C1 1081652962 HZNVUVCTLPEBSI-WDEREUQCSA-N 321.381 -0.044 30 20 DBED C=CCN1C[C@@H](NC(=O)Cc2nnn(C(C)(C)C)n2)[C@H](OC)C1 1081726063 MUQAFFYGIZBYHG-VXGBXAGGSA-N 322.413 -0.028 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1cnn2ncccc12 1081805276 PCAUTASPGJZHNV-DGCLKSJQSA-N 300.322 -0.318 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)CC2CS(=O)(=O)C2)C1 1083582918 LAEKUIIINXRYTB-MNOVXSKESA-N 322.814 -0.665 30 20 DBED C=C(Br)CN1CC[C@@H]2CN(C(=O)C(N)=O)[C@@H]2C1 1084622075 JELQAVVQOPSDCM-RKDXNWHRSA-N 302.172 -0.087 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)c3cc(=O)n(C)cn3)C[C@@H]2C1 1087998273 ZVCVIZXFANESDS-OLZOCXBDSA-N 300.362 -0.193 30 20 DBED C#CCN1C[C@H](NC(=O)[C@@H]2CNC(=O)N2)CC2(CCOCC2)C1 1089953735 YISYANUVVJYSKS-OLZOCXBDSA-N 320.393 -0.712 30 20 DBED NC(=O)C(=O)N[C@H]1CCN(CC#Cc2ccc(F)cc2)C[C@@H]1O 1090531051 IBCAAGOZZGHGBE-KBPBESRZSA-N 319.336 -0.786 30 20 DBED COC[C@@H](C)CC(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1091137726 SMPXGGQJUBTWEN-UHTWSYAYSA-N 319.365 -0.313 30 20 DBED Cc1cc(N2CC[C@H](NC(=O)CC(N)=O)[C@@H](O)C2)c(C#N)cn1 1092135177 VRKZILORNKFCAS-AAEUAGOBSA-N 317.349 -0.807 30 20 DBED CN(C)CCC(=O)N[C@@H]1CCN(c2ccc(C#N)nc2)C[C@H]1O 1092174530 SOCJQMPEWFOCSC-HUUCEWRRSA-N 317.393 -0.039 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)c3nc[nH]n3)c3nccn32)C1 1092403837 JDGJXNMXPNPXND-NSHDSACASA-N 311.349 -0.090 30 20 DBED C[C@@H]1CN(c2ncc(C#N)cc2F)C[C@H]1CNC(=O)C(N)=O 1092442847 ZYRNSPAZJWDXSL-PSASIEDQSA-N 305.313 -0.234 30 20 DBED COC(=O)[C@H]1C[C@H]1C(=O)NCCNc1nc(C)cc(C#N)n1 1093518164 JUSNXHKTSMHTDW-MNOVXSKESA-N 303.322 -0.006 30 20 DBED Cc1c(C(=O)N[C@@H]2CC(=O)N(C3CN(CC#N)C3)C2)ccn1C 1094782341 PKAYADJRICEJOE-GFCCVEGCSA-N 315.377 -0.128 30 20 DBED CCNC(=O)CC(=O)N1CC[C@H](N(C)c2ccnc(C#N)n2)C1 1095109328 PMKDCZRLXMVFQL-NSHDSACASA-N 316.365 -0.088 30 20 DBED N#Cc1nccc(N2CC[C@@H](NC(=O)C3(C(N)=O)CC3)C2)n1 1096476572 RCZDGVHNSKJZNL-SECBINFHSA-N 300.322 -0.691 30 20 DBED C[C@@H](CNC(=O)c1cnn(C)c1N)N=c1cc[nH]c(C#N)n1 1097762876 QSWWLMGVKKJEHL-QMMMGPOBSA-N 300.326 -0.684 30 20 DBED COc1ccc(C(=O)N2CCC(N(CC#N)CCO)CC2)nn1 1098524955 WRJJTANJUNLZCD-UHFFFAOYSA-N 319.365 -0.092 30 20 DBED C#CCCN(CCO)C1CCN(C(=O)Cc2nc[nH]n2)CC1 1098528515 IQWJSNVILJMUCS-UHFFFAOYSA-N 305.382 -0.344 30 20 DBED Cc1nn(CC(=O)N[C@]23CCC[C@H]2CN(CC#N)C3)c(=O)n1C 1099143336 STFCDLRZXVQZQN-WFASDCNBSA-N 318.381 -0.616 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2n[nH]c(C)c2C)[C@H](O)C1 1099753875 BMPBHHVBIHVBJJ-ZIAGYGMSSA-N 320.393 -0.159 30 20 DBED CN(C)C(=O)CN1CC[C@@H](NC(=O)C#CC(C)(C)C)[C@H](O)C1 1099829908 JUCSQZYYFGGWQY-CHWSQXEVSA-N 309.410 -0.325 30 20 DBED C[C@@H](C(=O)NCCN(C)c1cnc(C#N)cn1)n1cncn1 1100028464 UWPGWWOKHOEJHF-JTQLQIEISA-N 300.326 -0.247 30 20 DBED CC(=O)N1CC(C(=O)NCCN(C)c2ccncc2C#N)C1 1100077662 RDXFFZVNZVXOTI-UHFFFAOYSA-N 301.350 -0.016 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)c2ccnc(O)c2)C1 1100235476 JWWOQMROWLZRRQ-UHFFFAOYSA-N 316.361 -0.365 30 20 DBED CCc1nc(C#N)cc(N(C)CCNC(=O)c2nnn(C)n2)n1 1100264289 HGHVAAOGFKAGLJ-UHFFFAOYSA-N 315.341 -0.700 30 20 DBED COCC(C)(C)C(=O)NCC1CC(NCC(=O)NCC#N)C1 1100506943 OAYZUZOAQYKLAJ-UHFFFAOYSA-N 310.398 -0.217 30 20 DBED C#Cc1ccc(C(=O)NCC2CC(NCC(=O)NC)C2)cn1 1100885469 BLXRRBWAYHPXPZ-UHFFFAOYSA-N 300.362 -0.093 30 20 DBED CC(C)(C(N)=O)C(=O)NC[C@H]1CCN(c2nccnc2C#N)C1 1101022461 IXCAKTPXHGTGHX-SNVBAGLBSA-N 316.365 -0.198 30 20 DBED CCCN(CCNC(=O)C1(C(N)=O)CC1)c1ccnc(C#N)n1 1101229731 FWHNJFCOPWDGHW-UHFFFAOYSA-N 316.365 -0.054 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)[C@@H]1CCNC(=O)C1 1104506140 LBUVMQKVVCZTEB-WDEREUQCSA-N 316.365 -0.445 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)[C@H]1CC(=O)N(C)C1 1104844000 FRMFCBJZBMNREE-MNOVXSKESA-N 316.365 -0.493 30 20 DBED C#CCNCc1cn(C2CN(C(=O)c3cc(CC)[nH]n3)C2)nn1 1105164457 CGERNDIFUNGBSI-UHFFFAOYSA-N 313.365 -0.017 30 20 DBED C=CCNCc1cn(C2CN(C(=O)[C@@H](C)n3cncn3)C2)nn1 1105215938 LKKPEFSUSYNEGQ-LLVKDONJSA-N 316.369 -0.210 30 20 DBED COCc1nc(C)cc(NC[C@@H](O)CNC(=O)[C@H](C)C#N)n1 1105771985 VOWTWQQAZVEPGT-MWLCHTKSSA-N 307.354 -0.020 30 20 DBED N#Cc1cccnc1NC[C@@H](O)CNC(=O)Cn1cncn1 1105838902 HPMSVDWQUNPKBR-NSHDSACASA-N 301.310 -0.866 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H](O)CNC(=O)c1ccc(O)nc1 1105847923 HPFROBFETUZIEI-GFCCVEGCSA-N 313.317 -0.321 30 20 DBED N#Cc1cncc(NC[C@@H](O)CNC(=O)c2ccc(O)nc2)n1 1105848529 PZEHJGMQQGVSIP-LLVKDONJSA-N 314.305 -0.348 30 20 DBED C[C@H](CN=c1cc[nH]cc1C#N)NC(=O)[C@H]1CCNC(=O)C1 1107687538 ZMKOYKADMNBZMW-MNOVXSKESA-N 301.350 -0.182 30 20 DBED CC[C@@H](C)C(=O)NC[C@@]1(C)CN(CC(=O)NCC#N)CCO1 1107752332 RYJCDCVKCLUPPI-DOMZBBRYSA-N 310.398 -0.121 30 20 DBED C#CCCN1CCO[C@](C)(CNC(=O)[C@@H]2COCCN2CC)C1 1108041075 ZYACHZHMOICDCP-DOTOQJQBSA-N 323.437 -0.063 30 20 DBED C=C(C)CN1CCO[C@](C)(CNC(=O)CN2C(=O)CNC2=O)C1 1108386104 XAKVDYAULDNUBY-OAHLLOKOSA-N 324.381 -0.679 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)[C@@H](OCC)C3CC3)CC2=O)C1 1108546016 MDOHTNCVZBTWBF-BBRMVZONSA-N 319.405 -0.164 30 20 DBED C=CCCCN1CC(N2C[C@H](NC(=O)c3nc[nH]n3)CC2=O)C1 1108580037 AJPICYZKPVAKFF-LLVKDONJSA-N 318.381 -0.214 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)CN(C)c1cnc(F)cn1 1108941203 RIGURZOECZMPQL-SNVBAGLBSA-N 307.329 -0.304 30 20 DBED C#CCOCCC(=O)N[C@H](C)CN(C)c1ccc2nnnn2n1 1109101975 JNADVPXUFIATQC-LLVKDONJSA-N 317.353 -0.500 30 20 DBED Cc1ccc(C#N)c(N2C[C@H]3C[C@H]2[C@H]3NC(=O)CNC(N)=O)n1 1109679996 RWEVITZXRQODPP-MDZLAQPJSA-N 314.349 -0.377 30 20 DBED CCNC(=O)CC(=O)NCC1(Nc2nccnc2C#N)CC1 1110105821 PRWPLQYIERMECI-UHFFFAOYSA-N 302.338 -0.065 30 20 DBED COC(=O)NCC(=O)N[C@]1(C)CCN(c2cncc(C#N)n2)C1 1110711489 ZPLFUNSNJUQODF-CQSZACIVSA-N 318.337 -0.211 30 20 DBED C[C@]1(CNC(=O)C(N)=O)CCCN(c2cncc(C#N)n2)C1 1110954649 ZMYQPLSMRMJPIX-CQSZACIVSA-N 302.338 -0.444 30 20 DBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H]1CCC(=O)N1 1111299873 ONIJPFNIDYIMQF-XQHKEYJVSA-N 320.393 -0.711 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H]1CCN(C)C1 1111407254 PLEIQFZKPPNTBT-TUVASFSCSA-N 318.421 -0.591 30 20 DBED N#CCSCC(=O)N(CCO)CCNc1cncc(C#N)n1 1111441860 LDIVUUVQYHCDRS-UHFFFAOYSA-N 320.378 -0.162 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@@H]2CCC[C@]2(NC(=O)CC(N)=O)C1 1111680678 AWOWZRSGIBXACY-WQGACYEGSA-N 322.409 -0.477 30 20 DBED CC#CCN[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1C(F)(F)F 1112145431 SERNKMBBBGUDHM-RKDXNWHRSA-N 316.287 -0.174 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(c2nccnc2F)C[C@@H]1O 1112719953 FXECJSDAZIBMCE-NEPJUHHUSA-N 304.325 -0.058 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)c2cnnc(O)c2)CC1 1112991624 SASGQZNVIKLSGW-NSHDSACASA-N 319.365 -0.369 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H](C)N(C)c1cnc(F)cn1 1113566772 ABYQABBCLUXOHZ-SNVBAGLBSA-N 307.329 -0.304 30 20 DBED Cc1ncc(C(=O)NC2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]23)s1 1113983407 KIYBYBNMIFTCFD-NXEZZACHSA-N 319.390 -0.249 30 20 DBED Cc1cccnc1C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1114123374 YQSHBLURXPHTRF-JYAVWHMHSA-N 313.361 -0.310 30 20 DBED Cc1nc(O)nc(O)c1CCC(=O)NC1[C@@H]2CN(CC#N)C[C@@H]12 1114648159 RIZZUSXJOAPBLJ-GHMZBOCLSA-N 317.349 -0.301 30 20 DBED C=CCN1C[C@@H]2C(NC(=O)CNC(=O)C3CCOCC3)[C@H]2C1 1114989585 SUZQPVAWEOQADQ-STQMWFEESA-N 307.394 -0.238 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)c3nccs3)[C@@H]2C1 1115008332 YXQIEUSLBSPBSH-NXEZZACHSA-N 304.375 -0.448 30 20 DBED CNC(=O)CC(=O)NCCOCCN(C)c1cncc(C#N)n1 1115196111 WVPHWFJWGLZQOH-UHFFFAOYSA-N 320.353 -0.947 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)c3nonc3C)[C@@H]2C1 1115346199 SZZVBZURDZNUGM-NXEZZACHSA-N 305.338 -0.660 30 20 DBED CCNC(=O)CCC(=O)NC[C@H](CO)Nc1cncc(C#N)n1 1121204355 GESWKYGXYPZRLT-LLVKDONJSA-N 320.353 -0.846 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H](CO)Nc2nccnc2C#N)c1 1121265330 JRADKZBEWZIXKE-SNVBAGLBSA-N 311.305 -0.249 30 20 DBED COC[C@@H](C)C(=O)NC[C@@H](CO)Nc1nc(C)cc(C#N)n1 1121324571 PCEKQLCHJGXMRG-SKDRFNHKSA-N 307.354 -0.172 30 20 DBED C[C@H](C(=O)NC[C@@H](CO)Nc1cnc(C#N)cn1)n1cncn1 1121345782 FTJPATRTIFJAEQ-KOLCDFICSA-N 316.325 -0.910 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)C[C@@H]2CCC(=O)N2)cn1 1121771856 YIXLVAWXGFPYOJ-GWCFXTLKSA-N 317.349 -0.489 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)c2cnnc(O)c2)nc1 1122158418 OTURTGKOXTWTHT-NSHDSACASA-N 314.305 -0.348 30 20 DBED N#Cc1nccnc1N[C@@H](CO)CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 1122634559 CCVZBYBDDHYWRN-UZWSLXQKSA-N 317.349 -0.195 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)c1cc(C)on1 1123223617 HEUBGCCGWMXSAE-SNVBAGLBSA-N 323.353 -0.297 30 20 DBED C[C@H](CC(N)=O)C(=O)N(C)C[C@@H](O)CNc1ccc(C#N)nc1 1124689785 ZAMVGKZEGUIJIA-MFKMUULPSA-N 319.365 -0.304 30 20 DBED CO[C@]1(c2nnc(CNCCNC(=O)[C@@H](C)C#N)o2)CCOC1 1124895128 DIZGTWMRGNZYKC-IINYFYTJSA-N 323.353 -0.303 30 20 DBED C[C@@H](CNCCNC(=O)c1cc(C#N)c[nH]1)CS(C)(=O)=O 1125370009 FZXUGNPTJKNZTD-JTQLQIEISA-N 312.395 -0.114 30 20 DBED CN(C(=O)CNC(N)=O)C1CC(Nc2nccnc2C#N)C1 1126847611 RZYREOJWFIECPM-UHFFFAOYSA-N 303.326 -0.582 30 20 DBED C#CCO[C@@H](C)C(=O)NCCN[C@@H](C)C(=O)NCCCOC 1127051324 FZOSAIUWXSNNQG-STQMWFEESA-N 313.398 -0.728 30 20 DBED C#CCCN[C@@H]1CCN(c2cccc(CNC(=O)C(N)=O)n2)C1 1127845416 HODOYHAIJIRCAC-CYBMUJFWSA-N 315.377 -0.625 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@H](C)NC(=O)C1CCCC1 1127972789 DNTOYAWKBREZHD-LBPRGKRZSA-N 324.425 -0.311 30 20 DBED CNC(=O)CN1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H](C)C#N)C1 1130361207 ITAAVGSDSHAUAX-GHMZBOCLSA-N 318.381 -0.279 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@H](C)OCC#C)C[C@H]1c1cncn1C 1130988922 PPACJVKUMUUOSD-RRFJBIMHSA-N 314.389 -0.024 30 20 DBED C[C@@H]1CC[C@H](NC(=O)C2=COCCO2)CN1CC(=O)NCC#N 1131776766 WIZFRLRLEDJNKP-NEPJUHHUSA-N 322.365 -0.517 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1cc(C)nc(OC)c1 1132969501 YTIWNGYZKTWJOL-GFCCVEGCSA-N 318.377 -0.144 30 20 DBED Cn1cncc1C(=O)N1CC2(CCN(CC(=O)NCC#N)C2)C1 1147851784 LBLSSOVPURLGHQ-UHFFFAOYSA-N 316.365 -0.792 30 20 DBED C#Cc1ccc(C(=O)NCCNC[C@H](O)COCCOC)nc1 1148370401 WDRDMPIUMLAPPJ-AWEZNQCLSA-N 321.377 -0.594 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)Cc1ccc[nH]1 1151781839 NYFFFHXERVOTLP-NSHDSACASA-N 321.381 -0.337 30 20 DBED C=CCNC(=O)CN(CC)[C@H](C)CNC(=O)[C@]1(C)CNC(=O)C1 1154448441 OSOJFZFGHJUOIZ-WBMJQRKESA-N 324.425 -0.359 30 20 DBED CCN(CC#N)[C@H](C)CNC(=O)CCCN1C(=O)CNC1=O 1156814610 UZXXAMYTXUQCHV-LLVKDONJSA-N 309.370 -0.331 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@@H]1CCCO[C@H]1C=C 1158313325 BOHRJPHGCOKWHH-KGLIPLIRSA-N 307.394 -0.187 30 20 DBED COCC1(CNC(=O)Cc2nc[nH]n2)CCN(CC#N)CC1 1162576665 MGVSHJIURVCRKX-UHFFFAOYSA-N 306.370 -0.284 30 20 DBED C#CCNCC1(CCNC(=O)CCCn2c(O)nnc2O)CC1 1165878196 HLYPMXZWRVJBQV-UHFFFAOYSA-N 321.381 -0.021 30 20 DBED C=CCCOCC(=O)NCCCN[C@H](C)C(=O)NC(=O)NC 1177260751 UXXGYQIOWHKWOA-LLVKDONJSA-N 314.386 -0.481 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCCCCNC(=O)CC(=O)NC 1178290223 SUZJEAWEGWUYRR-CYBMUJFWSA-N 324.425 -0.473 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)Cc2cnc[nH]2)C1 1185924432 AROZACQVZNZKEW-VXGBXAGGSA-N 305.382 -0.167 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)Cc2cc(C)on2)C1 1189417904 GCXZZHODCWLZIL-AWEZNQCLSA-N 318.377 -0.192 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)/C=C/C(C)(C)C)C1 1191822813 GMIBUAFMWBZKGG-AMRKSYTLSA-N 307.394 -0.501 30 20 DBED C#CCN(C)[C@H]1CCN(C(=O)CNC(=O)c2cccnc2)C1 1192473490 YAYWZMBFVXTGNC-AWEZNQCLSA-N 300.362 -0.023 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(CCCS(C)(=O)=O)C[C@H]1O 1192517753 JQYQNOVIXACHNX-CHWSQXEVSA-N 316.423 -0.614 30 20 DBED C=CCOCCN(C)[C@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 1192559380 IBIASBDQJBUJHD-RYUDHWBXSA-N 324.381 -0.680 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2cc(C)cs2)C1 1192675521 LLEQMFURIMOGNE-VXGBXAGGSA-N 321.402 -0.419 30 20 DBED C=CCCn1cc(C(=O)N2CC[C@@H](N(C)CC(=O)NC)C2)nn1 1192767450 UZOYVDDDVQGEHM-GFCCVEGCSA-N 320.397 -0.254 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCCN(C(=O)[C@@H](CC)N(C)C)CC1 1196282674 VMRGRSBGWAAFLU-HUUCEWRRSA-N 322.453 -0.001 30 20 DBED C#CCNC[C@H]1CN(C(=O)c2ccoc2CC(N)=O)CCCO1 1201252249 KQAGVDRXKHYJIG-LBPRGKRZSA-N 319.361 -0.239 30 20 DBED C=CCOCC(=O)N[C@@H]1C[C@@H](NCc2nnnn2C)C12CCC2 1202632947 HLLYXKAWXORFJV-VXGBXAGGSA-N 320.397 -0.070 30 20 DBED C#CCCNCC1CCN(C(=O)CCS(=O)(=O)NC)CC1 1205272175 XGBAPKYQBIGDFI-UHFFFAOYSA-N 315.439 -0.223 30 20 DBED C=CCNCC1CCN(C(=O)CN2C(=O)CN(C)C2=O)CC1 1206916329 FXSVVSNKHSMTJT-UHFFFAOYSA-N 308.382 -0.105 30 20 DBED COCC#CCN[C@H]1CCCN(C(=O)CN2CCCC2=O)C1 1207250399 AEHKNDWKOAWVMW-AWEZNQCLSA-N 307.394 -0.161 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)c2[nH]nnc2C)C1 1208902534 VZMQEDVPYHWKQV-LLVKDONJSA-N 306.370 -0.390 30 20 DBED CC#CCCCC(=O)N1CCC[C@@H](NCC(=O)NC(N)=O)C1 1209145608 FXZNVUYJUWJHBO-GFCCVEGCSA-N 308.382 -0.045 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)c2cc(C)on2)[C@H](OC)C1 1211827582 BUSIHOSGEVGKIF-CHWSQXEVSA-N 322.365 -0.286 30 20 DBED CCn1ncnc1CN1C[C@@H](NC(=O)[C@H](C)C#N)[C@H](OC)C1 1212039044 DYXYIZPEPUFZGF-IJLUTSLNSA-N 306.370 -0.227 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)[C@@H](C)C2CCC2)[C@H](OC)C1 1212448596 UJVFWJSHTTYVSJ-NWANDNLSSA-N 321.421 -0.013 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CCS(C)(=O)=O 1218196209 OJOYXOOBJOITKA-QWHCGFSZSA-N 314.407 -0.644 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3csnn3)[C@@H]2C1 1221719564 FXSYLJIKQQFJBL-ZYHUDNBSSA-N 319.390 -0.566 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)C[C@@](C)(O)C=C)CC1 1227123926 JRARNJXPZCFVQO-INIZCTEOSA-N 307.394 -0.357 30 20 DBED COCC#CCN1CC[C@H]1CN(C)C(=O)c1ccc(O)nn1 1230659448 UXKNHNDHMPHWDR-LBPRGKRZSA-N 304.350 -0.022 30 20 DBED CC(C)C#CC(=O)N(C)C[C@@H]1CCN1[C@H](C)C(=O)NC(N)=O 1234128186 BBBMPEAYILYISX-NEPJUHHUSA-N 308.382 -0.238 30 20 DBED COCC#CCN1CC[C@@H]1CN(C)C(=O)C[C@@H](C)NC(N)=O 1234277294 YSBMGGPTZJBNDG-CHWSQXEVSA-N 310.398 -0.384 30 20 DBED C#CC1CCN(C(=O)C(=O)N(C)CCS(=O)(=O)CC)CC1 1261485918 MUUFTYPUCRZFOW-UHFFFAOYSA-N 314.407 -0.249 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)CO[C@H]1CCOC1 1318910792 PSPUZQGKAUQOMD-ZJUUUORDSA-N 300.311 -0.265 30 20 DBED CC(C)S(=O)(=O)NN=C1CCC2(CC1)NC(=O)NC2=O 1319518527 ZHKBIMLMWXNBOB-UHFFFAOYSA-N 302.356 -0.178 30 20 DBED Cc1onc(CC(=O)NCCCNS(C)(=O)=O)c1C#N 1319916289 BPZQYSKRNZXQJY-UHFFFAOYSA-N 300.340 -0.547 30 20 DBED CCN1CCN(C(=O)C(=O)NCc2ccc(C#N)cc2)CC1=O 1322409945 ODJGMVJFVDCHPU-UHFFFAOYSA-N 314.345 -0.135 30 20 DBED C#CCNC(=O)C1CCN(C(=O)C(=O)N[C@@H]2CCSC2)CC1 1322689065 YOUYHHMMPAGWOE-GFCCVEGCSA-N 323.418 -0.404 30 20 DBED COCc1cnc(NC(=O)C(=O)N2CCO[C@H](C#N)C2)s1 1322979017 NVUMNRZGPQLRNZ-MRVPVSSYSA-N 310.335 -0.021 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)NCCCO[C@@H]1CCOC1 1324211974 VHDMIMFVFFYBHJ-NWDGAFQWSA-N 300.355 -0.385 30 20 DBED N#Cc1ccc(NC(=O)C(=O)N2CCC3(C2)OCCO3)nc1 1324233482 LOGAHXKBZGVADR-UHFFFAOYSA-N 302.290 -0.133 30 20 DBED CS(=O)(=O)CCCNC(=O)C(=O)N1CCC(CC#N)CC1 1325749280 RPUHEVJRQJJBGP-UHFFFAOYSA-N 315.395 -0.310 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@@H](COC)C1CC1 1326898501 DKIKUWDGAQDWCL-NSHDSACASA-N 318.395 -0.755 30 20 DBED CCC(O)(CC)CCNC(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1326905655 AMOBFCFTRHNLEE-HNNXBMFYSA-N 311.382 -0.079 30 20 DBED CCOC(=O)C[C@H]1CCCN1C(=O)C(=O)N1CCO[C@H](C#N)C1 1326989691 BLOYSCNLVVYIKN-VXGBXAGGSA-N 323.349 -0.318 30 20 DBED CN(CC(F)F)C(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1329419335 IGYAGWAQTPOBJW-JTQLQIEISA-N 300.309 -0.091 30 20 DBED N#CCn1cc(NC(=O)C(=O)NCCC2CCNCC2)cn1 1329725851 SDBUXQBQHKUKOR-UHFFFAOYSA-N 304.354 -0.149 30 20 DBED COC[C@]1(C)CCN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)C1 1332388374 YYIZSGOKUCUJMD-CABCVRRESA-N 309.366 -0.252 30 20 DBED C=CC1CCN(C(=O)C(=O)NCc2nc(O)cc(CN)n2)CC1 1333566541 MYNHRHNTMLWRRI-UHFFFAOYSA-N 319.365 -0.318 30 20 DBED C=CCn1c(C(N)=O)nnc1N1CCOC2(CCOCC2)C1 1338896765 XLGMEHKCFFPURP-UHFFFAOYSA-N 307.354 -0.051 30 20 DBED C=CCn1c(CC(C)(C)O)nnc1N1CCN2C(=O)NC[C@H]2C1 1340171019 CODFBTCWFYBEKB-NSHDSACASA-N 320.397 -0.009 30 20 DBED C=C(C)Cn1nnnc1N1CC[C@H](S(=O)(=O)NCC)C1 1340232203 IURCDEPGMVEGFZ-JTQLQIEISA-N 300.388 -0.233 30 20 DBED COC(=O)C1(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 1342693936 YFOVENJKZFQXFL-KHPPLWFESA-N 307.306 -0.418 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N(C)C[C@H]1CCN(C(C)=O)C1 1343081460 UKBRLRFMUJVOKE-OLZOCXBDSA-N 311.382 -0.370 30 20 DBED C=CCN(C(=O)C(=O)N1CC[C@@H](NC(C)=O)C1)[C@@H](C)COC 1350282981 ULKJIPKYJBSNPD-WCQYABFASA-N 311.382 -0.227 30 20 DBED CCN1CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)[C@H](C)C1 1362668032 YIAJUIWGCVGFQZ-SNVBAGLBSA-N 305.338 -0.627 30 20 DBED N#Cc1cn(CC(=O)N2CC[C@](O)(C3CC3)C2)c(=O)nc1O 1362738345 IEARQSAUXIZDQC-CQSZACIVSA-N 304.306 -0.806 30 20 DBED Cn1c(=O)[nH]c(NC[C@H](CO)Cc2ccco2)c(C#N)c1=O 1363740156 XOQUIXCZYWJSAE-SECBINFHSA-N 304.306 -0.199 30 20 DBED CCOC(=O)C1CCN(c2[nH]c(=O)n(C)c(=O)c2C#N)CC1 1364128475 RCQMAIGIAUPCPJ-UHFFFAOYSA-N 306.322 -0.275 30 20 DBED N#Cc1cccc(CNC[C@H](O)CNC(=O)[C@H]2CCC(=O)N2)c1 1379172820 WEAYQJXYZFTYRT-UONOGXRCSA-N 316.361 -0.596 30 20 DBED CC(C)c1cc(C(=O)NC[C@@H](O)CNC(=O)[C@@H](C)C#N)nn1C 1392102257 QXBMELBTXFHHDD-QWRGUYRKSA-N 321.381 -0.090 30 20 DBED C[C@H](CN(C)C(=O)c1cc(C#N)c[nH]1)NC(=O)Cn1cnnn1 1395553613 MDYHOXODMCDWLC-SECBINFHSA-N 316.325 -0.850 30 20 DBED CCCc1nc(C(=O)NC[C@@H](O)CNC(=O)[C@H](C)C#N)co1 1399863964 IHQGPPFEZQQRMK-ZJUUUORDSA-N 308.338 -0.006 30 20 DBED C[C@H](C#N)C(=O)NCC1(NCc2cc(=O)n3nccc3[nH]2)CC1 1406905425 GDQWOHYTXGYKLV-SNVBAGLBSA-N 314.349 -0.079 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](NC(=O)CN(C)C(=O)C2CC2)C1 1407492905 DHDIRXAEVKMGMS-CMPLNLGQSA-N 306.366 -0.268 30 20 DBED CC[C@@H](OC)C(=O)NC[C@@H](O)CNC(=O)c1c[nH]c(C#N)c1 1410082341 JGXBYJFJOUXYMW-NWDGAFQWSA-N 308.338 -0.482 30 20 DBED COCC(=O)NCCC(=O)N[C@@H](C)C1CN(C(=O)[C@@H](C)C#N)C1 1411963589 VISMAAFBYMFWDO-QWRGUYRKSA-N 324.381 -0.738 30 20 DBED CCn1cc(CC(=O)NCCn2cc(C#N)c(O)nc2=O)cn1 1412376265 VIGMHJLEAVPGKR-UHFFFAOYSA-N 316.321 -0.604 30 20 DBED CN1CCN(S(=O)(=O)N2CCN(C3CC3)[C@H](C#N)C2)CC1 1414324456 SCJCGZSEJQBYEK-CYBMUJFWSA-N 313.427 -0.849 30 20 DBED CNC(=O)c1ccc(C(=O)NC[C@H](C)NC(=O)[C@H](C)C#N)cn1 1416938410 AKXHZNJESIIMDS-ZJUUUORDSA-N 317.349 -0.165 30 20 DBED CCNC(=O)NC(=O)[C@H](C)NC1(CNC(=O)[C@H](C)C#N)CC1 1420922782 STSXIRIWUDMFJW-ZJUUUORDSA-N 309.370 -0.381 30 20 DBED CN(Cc1nccn1C)C(=O)Cn1cc(C#N)c(O)nc1=O 1433592082 MGMFYMNJMQULJH-UHFFFAOYSA-N 302.294 -0.787 30 20 DBED CNC(=O)NCC(=O)NC[C@H](C)N(C)C(=O)c1cc(C#N)c[nH]1 1442794820 PJCBYOZRFDCFQY-VIFPVBQESA-N 320.353 -0.608 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]1CNC(=O)CCCS(C)(=O)=O 1453204186 PCRDTEKDSAWPRT-GHMZBOCLSA-N 315.395 -0.312 30 20 DBED N#Cc1cn(CC(=O)Nc2nnc3n2CCCC3)c(=O)nc1O 1466318297 TWFQJZRGIUSRTP-UHFFFAOYSA-N 315.293 -0.613 30 20 DBED CC[C@H](O)[C@@H]1CCCCN1C(=O)Cn1cc(C#N)c(O)nc1=O 1469615021 HTQVPUPEXDFYFM-RYUDHWBXSA-N 320.349 -0.027 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H](C)CCNC(=O)c1cnccn1 1484987164 MPDGXEGCQGASEL-RYUDHWBXSA-N 303.366 -0.288 30 20 DBED C#CC[C@H](NS(=O)(=O)[C@H]1CC[C@@H](C(=O)OC)C1)C(=O)O 1573303182 LEVJJEATARVOKP-UTLUCORTSA-N 303.336 -0.276 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N2C[C@H]3C[C@H](N)C[C@H]2C3)CCO1 1580041512 BMHILYQYULDSPP-NNYUYHANSA-N 300.384 -0.733 30 20 DBED C#C[C@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)o1)[C@@H]1CCCO1 1588328434 HAVGORTXDBESOD-IUCAKERBSA-N 323.334 -0.081 30 20 DBED C#CC[C@H](NS(=O)(=O)C[C@H](OC)C1CCOCC1)C(=O)O 1588423546 KKNJEXCYPJLHAM-RYUDHWBXSA-N 319.379 -0.176 30 20 DBED C#CCNS(=O)(=O)c1cccc(C(=O)N2CC(C(=O)O)C2)c1 1588486374 WWISOTOGHYBVFZ-UHFFFAOYSA-N 322.342 -0.245 30 20 DBED C=CCn1c(CCO)nnc1N1C[C@H]2COCC[C@@]2(C(=O)O)C1 1588900435 HBBFNIYVHNALJU-XHDPSFHLSA-N 322.365 -0.074 30 20 DBED C[C@@](O)(CNS(=O)(=O)Cc1ccc(F)cc1C#N)C(=O)O 1589148266 OXNHEBQDGFTYTC-GFCCVEGCSA-N 316.310 -0.048 30 20 DBED N#Cc1nc(N2CCC3(C2)OCCO3)cnc1-c1nn[nH]n1 1592704853 RLCIRGVOAUUEDB-UHFFFAOYSA-N 300.282 -0.518 30 20 DBED CN1CCC(C#N)(NC(=O)CN2CCC[C@H](C(=O)O)C2=O)CC1 1598578920 QXCGAWWXSDZQIW-NSHDSACASA-N 322.365 -0.586 30 20 DBED C#CC[C@@H](NS(=O)(=O)CC1(C(=O)O)CCC1)C(=O)OC 1602698308 BKSBRQHHAZNKKC-SECBINFHSA-N 303.336 -0.274 30 20 DBED C=CCn1c(N2CC[C@H](C(=O)O)C2)nnc1[C@]1(O)CCOC1 1602730250 YWEUPMPEVXPULB-HZMBPMFUSA-N 308.338 -0.017 30 20 DBED C[C@H](C#N)CNC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)cn1 1602984569 YWTVLGXLYKCHKJ-SSDOTTSWSA-N 300.282 -0.524 30 20 DBED Cc1cc(C)n(N=Cc2cn(C)nc2O)c(=O)c1-c1nn[nH]n1 1605650553 PSEHOOQQIFDYPG-UHFFFAOYSA-N 314.309 -0.033 30 20 DBED COC(=O)CN(C)CCNS(=O)(=O)c1cccc(C#N)c1 1649840513 BERLXJUBMZOPIV-UHFFFAOYSA-N 311.363 -0.059 30 20 DBED CC[C@H](C(=O)N[C@@H]1CCCN(CC(=O)NCC#N)CC1)N(C)C 1724840413 ADFXCLLXAPBYEX-ZIAGYGMSSA-N 323.441 -0.063 30 20 DBED C#CCNC(=O)CN1CCN(CCCNC(=O)C2(C)CC2)CC1 1752344292 PRAOUWSLUWACOE-UHFFFAOYSA-N 320.437 -0.340 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@H](C)NCC(=O)NC(=O)NCC 1752870754 NBBROMWDCAVHMU-IINYFYTJSA-N 314.386 -0.747 30 20 DBED C=CCCN(C)C[C@@H]1CCN(C(=O)CNC(=O)CNC(C)=O)C1 1753351776 ZESFSQUUXCUZBG-AWEZNQCLSA-N 324.425 -0.405 30 20 DBED CN(CC(=O)NCC#N)C[C@@H]1CCN(C(=O)c2ccn(C)n2)C1 1753359287 GSROYVPORBIFLV-LBPRGKRZSA-N 318.381 -0.546 30 20 DBED N#CCNC1(CNC(=O)CCn2cc[nH]c(=O)c2=O)CCCC1 1753669917 LBTPWRGLEDEOPL-UHFFFAOYSA-N 319.365 -0.531 30 20 DBED Cc1nc(CC(=O)NC[C@@H](NCC(=O)NCC#N)C(C)C)n[nH]1 1753829641 PXGIFTNOUSGJOZ-LLVKDONJSA-N 321.385 -0.974 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@H](O)CNCc1nonc1C 1753913303 CUZPHDTWVIEUGE-JSGCOSHPSA-N 321.381 -0.958 30 20 DBED C[C@@H](CNCCCN1C(=O)NC(C)(C)C1=O)NC(=O)[C@H](C)C#N 1754261429 OKTSWBKSYFGWIQ-MNOVXSKESA-N 323.397 -0.039 30 20 DBED CCn1nc(C(=O)N[C@H](C)CN(C)CC#CCOC)ccc1=O 1754338103 QJFZTTKANQIUPH-CYBMUJFWSA-N 320.393 -0.037 30 20 DBED C=CCNC(=O)CNCCCN(C)C(=O)c1ccc(=O)n(C)n1 1754411073 CKUYWTUPHNHFGF-UHFFFAOYSA-N 321.381 -0.866 30 20 DBED COCC#CCNC[C@H](NC(=O)c1cn(C)c(=O)n1C)C1CC1 1754461296 KKMXGDGKDYLMIZ-ZDUSSCGKSA-N 320.393 -0.528 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)CNC(=O)OC)[C@@H](C)C1 1754590038 JWDWSIPBFBMUCJ-NWDGAFQWSA-N 324.381 -0.939 30 20 DBED C#CCNC(=O)CNC[C@]1(C)CCN(C(=O)[C@H](CC)OC)C1 1754689441 LYSMLTUVULJYLV-BBRMVZONSA-N 309.410 -0.011 30 20 DBED C#CCNC1(CNC(=O)[C@H](NC(N)=O)C(C)(C)C)CCOCC1 1754740679 JWCIDHODOUOVFB-LBPRGKRZSA-N 324.425 -0.042 30 20 DBED COCCOCCN1CC(O)(CNC(=O)C#CC(C)(C)C)C1 1754767665 PGOPSQSKEONHAD-UHFFFAOYSA-N 312.410 -0.138 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN([C@H]2CCN(CC)C2=O)C1 1754772023 UPVIGLYWVKDWSI-LBPRGKRZSA-N 309.410 -0.018 30 20 DBED N#CCNC(=O)CN1C[C@H]2CN(C(=O)CSCC#N)C[C@H]2C1 1754840464 BFYAIWXQERXJQE-TXEJJXNPSA-N 321.406 -0.727 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C)C#N 1754864580 XRYGYQLCGDGJPJ-BFHYXJOUSA-N 302.378 -0.039 30 20 DBED C#CCNC(=O)[C@H](C)NCCN(CCO)C(=O)[C@H]1CCC1(C)C 1754889594 URULBLAVHQYSHA-UONOGXRCSA-N 323.437 -0.029 30 20 DBED N#CCSCC(=O)NC[C@H]1COCCN1Cc1cnon1 1754963280 CYIWIOXEQYVCCE-NSHDSACASA-N 311.367 -0.357 30 20 DBED C=CCN1CCOC[C@@H]1CNC(=O)CN1CCCS1(=O)=O 1754967734 OBMFONQPQRHNHB-LBPRGKRZSA-N 317.411 -0.975 30 20 DBED C#CCN1CC2(CC[C@@H](CNC(=O)[C@]3(C)CCC(=O)NC3)O2)C1 1755056194 XKYWTSWPVACJTL-XJKSGUPXSA-N 319.405 -0.115 30 20 DBED N#CCN[C@]1(CO)CCCN(C(=O)CCCCc2cnn[nH]2)C1 1755087292 SVNKOXQYUZMRLB-OAHLLOKOSA-N 320.397 -0.016 30 20 DBED N#CCN[C@]1(CO)CCCN(C(=O)[C@H]2CCCS2(=O)=O)C1 1755091274 IFIXJMYWMXJNLQ-DGCLKSJQSA-N 315.395 -0.970 30 20 DBED CC1(CCC(=O)NC2(CCO)CN(CC(=O)NCC#N)C2)CC1 1755337313 BPZNZUQFBAJWKK-UHFFFAOYSA-N 322.409 -0.241 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H]1C[C@H](CNCc2nnn(C)n2)C1 1755470824 IIXCXLOOPLTMNS-SRVKXCTJSA-N 306.370 -0.767 30 20 DBED C=CCCC(=O)NC[C@@H](CO)NCc1nnn(C(C)(C)C)n1 1755622144 CEMYTSPHIZEQON-NSHDSACASA-N 310.402 -0.039 30 20 DBED C=C(C)CN[C@H](CO)CNC(=O)c1cnc2c(c1)nnn2C 1755632482 FUXCMATYWOWZPZ-NSHDSACASA-N 304.354 -0.380 30 20 DBED CN(CC#N)C[C@@H](O)CN(C)C(=O)c1cncc2ncn(C)c12 1755802099 PRUWPYCEFNCWPG-LLVKDONJSA-N 316.365 -0.143 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C[C@H]1CCCN1C(=O)c1cnn[nH]1 1755919384 GZUTXNFCVUQWCX-NWDGAFQWSA-N 319.365 -0.094 30 20 DBED C#Cc1ccc(C(=O)N2CCC[C@H]2CN(C)C(=O)C(N)=O)nc1 1755919948 KGZCSDCUBAMDNU-LBPRGKRZSA-N 314.345 -0.389 30 20 DBED C=C[C@](C)(O)CC(=O)N(C)C[C@H](C)NC(=O)c1cnnn1C 1756447534 BVPWGEMOWDHIEU-HZMBPMFUSA-N 309.370 -0.281 30 20 DBED Cc1cc(C(=O)NC[C@@H](O)CN(C)C(=O)C#CC2CC2)n[nH]1 1756661710 DAQDSLZTDYCGLZ-GFCCVEGCSA-N 304.350 -0.319 30 20 DBED C=C1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](C)O)C3)C1 1792442597 RDJVUDRQGIKUQT-RUZUBIRVSA-N 308.378 -0.077 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1ccc(C)n1 1794147826 ASMLAEMADFOOGR-YWVIFJGQSA-N 316.361 -0.586 30 20 DBED C#CC(=O)N1CCCC12CN(C(=O)CCN1CCN(C)CC1)C2 1845958739 QJMQUYGNOSGSFN-UHFFFAOYSA-N 318.421 -0.540 30 20 DBED C/N=C(/NCC(=O)NC1CC1)N1CCN(c2ncccn2)CC1 73447778 QWFSPLINQVTYBT-UHFFFAOYSA-N 317.397 -0.547 30 20 DBED N#Cc1ccc(CN2CCN3C(=O)C(=O)NC[C@H]3C2)c(F)c1 177105187 KEMKXVXBYZMCGQ-LBPRGKRZSA-N 302.309 -0.160 30 20 DBED Cn1cncc1C/N=C(/N)N1CCN(c2ncccn2)CC1 262365071 KAXJZJCSZWWSHY-UHFFFAOYSA-N 300.370 -0.153 30 20 DBED CC(C)OC(=O)[C@@H](C)N(C)c1c(C#N)c(=O)n(C)c(=O)n1C 268557476 CRUJHQUEUWAGRY-SECBINFHSA-N 308.338 -0.268 30 20 DBED C[C@H](O)[C@H](NS(=O)(=O)c1c(F)cc(C#N)cc1F)C(=O)O 274970625 WGJQBEPMLANHKJ-CDUCUWFYSA-N 320.273 -0.051 30 20 DBED C#CCN(C)C(=O)C(=O)N1CCN(CC(=O)N[C@H](C)CC)CC1 298206020 YBAKYOKNXZOMQM-CYBMUJFWSA-N 322.409 -0.863 30 20 DBED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 298209083 KILZBQWSNTWPRC-UHFFFAOYSA-N 323.374 -0.277 30 20 DBED C[C@@H](C(O)=Nc1ncn(C)n1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 329430304 IBMAWZFYJJPSCT-LOLPMWEVSA-N 319.321 -0.046 30 20 DBED CNC(=O)[C@@H]1CCC[C@@H]1N/C(O)=N/[C@H](C)CS(C)(=O)=O 330576402 OQACSLKWUQBQPX-BBBLOLIVSA-N 305.400 -0.162 30 20 DBED C[C@@H]1CN(CC(=O)N/C(O)=N/CC(F)(F)F)C[C@@H](CO)O1 330948039 BORFSQMHHUWBFA-SFYZADRCSA-N 313.276 -0.340 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N1CC[C@@H](C)S(=O)(=O)CC1 331985388 MXWDDQVLIYXNDF-GHMZBOCLSA-N 323.440 -0.026 30 20 DBED CCS(=O)(=O)C[C@@H](C)NS(=O)(=O)N(C)[C@@H](C)CC#N 332427488 ALBFOFHQZZOPHS-ZJUUUORDSA-N 311.429 -0.122 30 20 DBED CCN(C)C[C@H]1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)C1 337075272 RNMOCMKBZNEPGH-CHWSQXEVSA-N 316.427 -0.271 30 20 DBED C[C@@H]1CCC[C@]1(O)CNC(=O)C(=O)Nc1ccn(CCC#N)n1 343671724 XJSAOWSEMBKGKM-ABAIWWIYSA-N 319.365 0.403 30 20 DBED Cn1ncc(-c2nc(-c3cn(C)c(=O)n(C)c3=O)no2)c1C#N 347129423 GZILZJVRAUBUGS-UHFFFAOYSA-N 313.277 -0.594 30 20 DBED N#CCCN(CCN1CCOCC1)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 354094295 URIFTZJFPMJPJF-QWHCGFSZSA-N 324.381 -0.906 30 20 DBED CC1(C)CN(C(=O)NCC(=O)NCC#N)C[C@]2(CCOC2)O1 367920157 FHDLYPQRONGCOK-AWEZNQCLSA-N 310.354 -0.394 30 20 DBED C=C(C)CS(=O)(=O)N[C@H]1CCN(CCC(=O)OC)C1=O 435448522 XIHZVGDAUNPJLN-JTQLQIEISA-N 304.368 -0.354 30 20 DBED COc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CNC(=O)C1 440455852 BKMJBIIYBXEINA-VIFPVBQESA-N 302.290 -0.490 30 20 DBED CN(C(=O)CNS(=O)(=O)c1cn(C)cn1)C1(C#N)CCC1 446958619 RFWQUDIZYDDITQ-UHFFFAOYSA-N 311.367 -0.397 30 20 DBED C=CC(C)(C)CNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 451805074 AUKLPMFRIRAEBF-UHFFFAOYSA-N 301.368 -0.426 30 20 DBED C=CCCCS(=O)(=O)N1CCN(C(=O)CN(C)C)CC1 489115886 LUVSWXXXJZDYQY-UHFFFAOYSA-N 303.428 -0.012 30 20 DBED C#C[C@H](NC(=O)N1CCN(CCS(N)(=O)=O)CC1)C(C)C 491096859 XDTJCPGLUWWVEZ-LBPRGKRZSA-N 316.427 -0.740 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)CCCC(=O)OC)CC1 491221586 YBGIHKMCQMEASG-UHFFFAOYSA-N 309.366 -0.777 30 20 DBED N#Cc1cc(S(=O)(=O)N2C[C@@H](CO)[C@H](CO)C2)ccc1F 528467819 RFQQHQXRRSAWGK-QWRGUYRKSA-N 314.338 -0.081 30 20 DBED CN(C)[C@H]1CN(CCS(=O)(=O)c2cccc(C#N)c2)C[C@@H]1O 563726497 OZQWAKSRTANCEN-GJZGRUSLSA-N 323.418 -0.061 30 20 DBED N#CCNC(=O)CNC(=O)N1CCSC2(CCOCC2)C1 567302658 URTKVFCXGUQHBF-UHFFFAOYSA-N 312.395 -0.066 30 20 DBED COC(=O)[C@@H]1CNC(=O)CN1CC(=O)NC1(C#N)CCCCC1 567609159 NEMOIFPLWDFXTC-NSHDSACASA-N 322.365 -0.698 30 20 DBED CN(C)S(=O)(=O)NCCNC(=O)c1ccc(C#N)s1 574579710 ZWHKGDZVQVTDPC-UHFFFAOYSA-N 302.381 -0.254 30 20 DBED CC(C)N=c1[nH]c(N2CC[C@](F)(C#N)C2)nc(=NCCO)[nH]1 588028521 PPHQWJPAEILSJW-ZDUSSCGKSA-N 309.349 -0.618 30 20 DBED CCNC(=O)CNC(=O)C(=O)Nc1cc(OC)c(C#N)cc1F 599933708 IZODQCLOTNYXDO-UHFFFAOYSA-N 322.296 -0.103 30 20 DBED CCS(=O)(=O)N[C@H](C)C(=O)N1CCN(CCC#N)CC1 602203161 QBKKMTUUCRFAHK-LLVKDONJSA-N 302.400 -0.628 30 20 DBED Cn1cc(S(=O)(=O)NCCN2CC[C@](F)(C#N)C2)cn1 615647745 XOJQMKAMGBOQMD-NSHDSACASA-N 301.347 -0.364 30 20 DBED C=CCN(C(=O)[C@H]1CCCNC1=O)[C@H]1CCS(=O)(=O)C1 630796239 LLZTZEWQDBKUBY-QWRGUYRKSA-N 300.380 -0.286 30 20 DBED N#Cc1cccnc1NCCNC(=O)N1CCO[C@H](C(=O)O)C1 738434916 HANGBWPFWKILSS-NSHDSACASA-N 319.321 -0.140 30 20 DBED C#CCNC(=S)N1CCN(C(=O)C(=O)N2CCCC2)CC1 758194912 VUDXCWBMMINZGH-UHFFFAOYSA-N 308.407 -0.739 30 20 DBED CCOC(=O)[C@H](CO)NS(=O)(=O)c1cccc(F)c1C#N 758505401 WAAGEIYNCPEDHO-JTQLQIEISA-N 316.310 -0.100 30 20 DBED C#C[C@@H](NC(=O)CS(=O)(=O)N(CC)CC)[C@H]1CCCO1 775330049 OQCLWVSTVMVRNX-VXGBXAGGSA-N 302.396 -0.045 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N(C[C@@H](C)O)[C@@H](C)CO 785890556 YXAAAHXRHGQSGH-WDEREUQCSA-N 308.400 -0.640 30 20 DBED C#CCCCS(=O)(=O)N1CCC[C@@H]1CS(=O)(=O)NC 805030164 YMTMBUBEXUVEPT-LLVKDONJSA-N 308.425 -0.257 30 20 DBED CC1(C)NC(=O)N(CCOC(=O)[C@](C)(C#N)CC(=O)O)C1=O 819866570 YNQJLGJJVDUDLP-ZDUSSCGKSA-N 311.294 -0.135 30 20 DBED C#CCN1CCN(C(=O)c2sccc2S(N)(=O)=O)CC1 827526560 NPCWNDRZXANUTH-UHFFFAOYSA-N 313.404 -0.214 30 20 DBED CCOCCCNC(=O)[C@H](C#N)C(=O)Cn1nc(C)n(C)c1=O 847621845 TWLCVSYMCXMPHY-LLVKDONJSA-N 323.353 -0.858 30 20 DBED COCCn1cc(C(=O)N[C@H]2CCCN(O)C2=O)ccc1=O 848139262 UACHZYCDZOPLBA-NSHDSACASA-N 309.322 -0.395 30 20 DBED Cn1cccc1CNC(=O)C(=O)N1CCN(CCC#N)CC1 875076400 JDALHSPASYBLIS-UHFFFAOYSA-N 303.366 -0.301 30 20 DBED C#CC1(O)CN(C(=O)[C@]2(O)CCN(Cc3ccccc3)C2)C1 890522833 LZBKBSVRSDMJTQ-KRWDZBQOSA-N 300.358 -0.170 30 20 DBED C=CC1(OC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)CC1 893364975 IKNKDHCFSOXGJA-UHFFFAOYSA-N 304.306 -0.305 30 20 DBED C#CC[C@@H]1NC(=O)N(CC2CCN(S(C)(=O)=O)CC2)C1=O 927417159 QOJWARCMCQDZJY-NSHDSACASA-N 313.379 -0.398 30 20 DBED C#CCN1CCC(C(=O)N[C@H]2CCN(C(=O)COC)C2)CC1 938094927 KXLOCOGWFVHCLT-AWEZNQCLSA-N 307.394 -0.305 30 20 DBED O=C1C[C@H](CC(=O)N[C@H]2CCN(C(=O)C#CC3CC3)C2)C(=O)N1 938250075 BHSIRKXASZTQSK-RYUDHWBXSA-N 317.345 -0.830 30 20 DBED Cc1nc(CC(=O)N(C)[C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)n[nH]1 939397241 NUZGDNMQIVNXOJ-GXSJLCMTSA-N 304.354 -0.125 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCN(C(=O)c3nnn(C)n3)CC2)C1 945011211 ODZHGRURRSTSOY-JTQLQIEISA-N 317.353 -0.566 30 20 DBED O=C(N[C@H]1[C@H]2C[C@H]1N(C(=O)C#CC1CC1)C2)c1cncnc1O 947382133 RTBURDOCXMLFLX-SUHUHFCYSA-N 312.329 -0.075 30 20 DBED C=CCN1CC[C@@H](NC(=O)CN2CCN(C)C(=O)C2)C[C@@H]1C 947463416 HAWJOIOGNDJALK-UONOGXRCSA-N 308.426 -0.085 30 20 DBED C#Cc1cncc(C(=O)N[C@H]2[C@H]3C[C@H]2N(C(=O)CC(N)=O)C3)c1 948004983 SWLJHCSIRQRJAD-ZOWXZIJZSA-N 312.329 -0.733 30 20 DBED CC(=O)N1CC[C@@H](C(=O)NC[C@@H]2CCN2C(=O)C#CC2CC2)C1 951527578 VPQUITKVUBYEOS-CABCVRRESA-N 317.389 -0.015 30 20 DBED C[C@H](C#N)C(=O)N1CC(N(C)C(=O)[C@@H]2CCCCC(=O)N2)C1 955270491 RQCOMZSAIZERMM-PWSUYJOCSA-N 306.366 -0.126 30 20 DBED CC#CCN1CC(N(CC)C(=O)c2cn(C)c(=O)nc2O)C1 957380623 IPWVCOIMUPGFSN-UHFFFAOYSA-N 304.350 -0.345 30 20 DBED N#CCN1C[C@H](O)[C@H](CNC(=O)c2n[nH]cc2C(F)(F)F)C1 958131662 YGDHTJFYCGMBEZ-APPZFPTMSA-N 317.271 -0.025 30 20 DBED CC#CCN1C[C@H](CNC(=O)c2cn(C(C)C)nn2)[C@@H](O)C1 958547229 GRDIMBCZZGITKA-JSGCOSHPSA-N 305.382 -0.095 30 20 DBED CC#CCN1C[C@@H](O)[C@H](CNC(=O)c2cccn(C)c2=O)C1 958595007 OADUJKKWFQCBPV-TZMCWYRMSA-N 303.362 -0.569 30 20 DBED Cn1nnnc1CN1C[C@H]2[C@H](NC(=O)c3ccc(C#N)[nH]3)[C@H]2C1 958599130 PXBKJBKHTGBQTL-IWIIMEHWSA-N 312.337 -0.730 30 20 DBED Cc1cnn(C)c1C(=O)N(C)[C@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1O 958924627 SOFZPZDQKCRTHB-USWWRNFRSA-N 319.365 -0.468 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2CN(C(=O)C(N)=O)C[C@H]2C)cc1 959570942 NDKOCMGJHRLUSH-RISCZKNCSA-N 313.357 -0.023 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2CN(C(=O)C(N)=O)C[C@H]2C)nc1 959574433 YRNNSZYFHKQEGA-ZYHUDNBSSA-N 314.345 -0.628 30 20 DBED O=C(C#CC1CC1)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cn[nH]c1 960066772 YIQVQDOUDGNANE-UONOGXRCSA-N 314.345 -0.125 30 20 DBED C#CCN1C[C@H]2C(NC(=O)c3ccc(OCC(N)=O)cc3)[C@@H]2C1 960917865 AZTJMZPHLSLAMI-ZIAGYGMSSA-N 313.357 -0.156 30 20 DBED C#Cc1cncc(C(=O)N[C@H]2[C@@H]3CN([C@@H]4CCNC4=O)C[C@@H]32)c1 961709955 DERXADXTMAGIBN-BARDWOONSA-N 310.357 -0.389 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1[C@H]2CN(CC(=O)NC3CC3)C[C@H]12 961815938 PASPWRRGORKOCL-RFGFWPKPSA-N 319.405 -0.098 30 20 DBED CC(C)(F)C(=O)N1C[C@H](O)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 962327012 VWHIBNGBQOMFAR-MNOVXSKESA-N 308.313 -0.064 30 20 DBED Cc1ncc(C(=O)NC[C@H]2COCCN2C(=O)[C@H](C)C#N)n1C 964307240 BTKOAQPJVIXWJO-PWSUYJOCSA-N 319.365 -0.155 30 20 DBED CC(=O)N1CCO[C@H](C(=O)NC2CC3(CC(NCC#N)C3)C2)C1 965893621 KRJFDTWVYQUGFJ-JNJRBNHSSA-N 320.393 -0.226 30 20 DBED CCN(C(=O)[C@H]1CN(C)C(=O)N1)C1CN(C(=O)[C@H](C)C#N)C1 968214103 QDZCTZZPWICQDH-MWLCHTKSSA-N 307.354 -0.771 30 20 DBED C[C@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)[C@@H]1CNC(=O)N1)C2 969805066 IZPMCGQCIZAXPN-RCWTZXSCSA-N 305.338 -0.971 30 20 DBED C=CCn1cc(C(=O)N2CC[C@@H]3CN(C(=O)COC)[C@@H]3C2)nn1 971071855 FEWZWCVWUZBFLV-DGCLKSJQSA-N 319.365 -0.217 30 20 DBED CC#CCN1CCO[C@]2(CCN(C(=O)[C@@H]3CCNC(=O)C3)C2)C1 972338699 JKTHLWZYVBBXMV-RHSMWYFYSA-N 319.405 -0.161 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)c3[nH]c(O)nc3C)C2)C1 972419895 KONXKXKBDUESBL-HNNXBMFYSA-N 304.350 -0.026 30 20 DBED C#CCN(C)[C@@H]1CCN(C(=O)C2(n3cnnn3)CCOCC2)C1 972519562 ASIDHUGMCPJZBP-CYBMUJFWSA-N 318.381 -0.655 30 20 DBED CC#CCN1C[C@@H](NC(=O)c2nnc(O)nc2O)C(C)(C)C1 974764977 GJXYZZSZBFRWHI-SECBINFHSA-N 305.338 -0.254 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)c3cnnn3C)C[C@H]21 974974862 MVWJMNPGAKZOBH-CKYFFXLPSA-N 302.338 -0.352 30 20 DBED N#Cc1cc(C(=O)NC[C@H]2CCCN(C(=O)CC(N)=O)C2)c[nH]1 975211393 BSLKFOXWCYXYGH-SNVBAGLBSA-N 317.349 -0.270 30 20 DBED CN(C[C@@H]1CCN1C(=O)c1cnn[nH]1)C(=O)c1c[nH]c(C#N)c1 977579097 BSHKSAGJFYTHEU-NSHDSACASA-N 313.321 -0.009 30 20 DBED C#CCN[C@H]1CCC[C@H](NC(=O)c2cn(C)c(=O)nc2O)C1 981515735 AMKGKWSKYHGVLD-QWRGUYRKSA-N 304.350 -0.250 30 20 DBED C#CCCN1C[C@@]2(C)CN(C(=O)Cn3cnnn3)C[C@@]2(C)C1 982204115 WPWXMMGZKMYTPN-GASCZTMLSA-N 302.382 -0.133 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CN(C)C(=O)[C@H]2CNC(=O)N2)CC1 988626184 WCAYGMYKFLFLFS-ZYHUDNBSSA-N 321.381 -0.476 30 20 DBED CC#CCN1CCCN(C(=O)[C@H]2CN(C(C)=O)CCO2)CC1 989586109 GNMQGIGZPYDQBS-OAHLLOKOSA-N 307.394 -0.209 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CCN(C(=O)C3CC3)C[C@H]2O)c1 991377666 CUFZFDYZMZMIEE-DGCLKSJQSA-N 302.334 -0.012 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CN(C(=O)[C@H]2COC(=O)N2)C1 992028215 YZRQQUOJLMMYMZ-TUAOUCFPSA-N 323.349 -0.597 30 20 DBED C#CCCN1CCC[C@@H](NC(=O)c2cnc(O)n(C)c2=O)C1 1008157167 JSBSKINKBDJLOB-LLVKDONJSA-N 304.350 -0.297 30 20 DBED CC[C@]1(C(=O)N2CCN(C(=O)C#CC3CC3)CC2)CCNC1=O 1011107685 LQEFDMJSYSKZQZ-KRWDZBQOSA-N 317.389 -0.013 30 20 DBED O=C1N[C@H](C(=O)NC2[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]23)CO1 1013032189 CQXMXPBAXALJNC-MXWKQRLJSA-N 303.318 -0.919 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@H](NCc2cn(C)nn2)C1 1018985965 ODLWZUGOFGBDAY-ZFWWWQNUSA-N 316.409 -0.397 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCN(C(=O)[C@H]3COC(=O)N3)C2)C1 1019363593 XHHCMGPXKAJZMX-VHSXEESVSA-N 306.322 -0.685 30 20 DBED C[C@@H](C#N)C(=O)N1CCCO[C@H](CNC(=O)c2cnccn2)C1 1019519080 ITQMNFGKVWDXCO-NWDGAFQWSA-N 317.349 -0.016 30 20 DBED O=C(Cn1nccn1)N1C[C@@H]2CCN(C(=O)C#CC3CC3)[C@@H]2C1 1021590185 BHRQGFGXWIKSHL-UONOGXRCSA-N 313.361 -0.249 30 20 DBED C=CCN1CC[C@@H](N[C@H]2C[C@@H](NC(=O)c3[nH]nnc3C)C2)C1=O 1022526847 IVASFUXOPQYVCU-GRYCIOLGSA-N 318.381 -0.250 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@]2(C)CNC(=O)C2)C1 1024725891 NDEUPNWNYUJBBG-GLKRBJQHSA-N 323.393 -0.587 30 20 DBED C#CCN1CCCC[C@H]1CNC(=O)[C@@H]1COCCN1C(C)=O 1024806419 JRNJVEUFSXQEJD-GJZGRUSLSA-N 307.394 -0.162 30 20 DBED N#CCN1CCO[C@@H](CNC(=O)C2CCN(C(N)=O)CC2)C1 1035603539 VXWQSVBKEKMZHG-LBPRGKRZSA-N 309.370 -0.882 30 20 DBED CC(C)C#CC(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2CCCN2C)C1 1039663366 DKAGNKPDPRWANW-WMLDXEAASA-N 321.421 -0.180 30 20 DBED C=C(C)CCC(=O)N1CC[C@](O)(CNC(=O)c2nnn(C)n2)C1 1040593041 DEGYZVJXMXMING-AWEZNQCLSA-N 322.369 -0.740 30 20 DBED C#CCN1CCC2(CC1)CCN(C(=O)[C@@H]1CC(=O)NC(=O)N1)C2 1040867416 FAUKGRDKFQYESL-LBPRGKRZSA-N 318.377 -0.468 30 20 DBED C#CCN1CC[C@@]2(CCN(C(=O)CN3CCN(C)C(=O)C3)C2)C1 1041422702 OZGAIVVKZMTKJN-QGZVFWFLSA-N 318.421 -0.682 30 20 DBED N#CCSCC(=O)NCC1(O)CN(C(=O)c2ccnnc2)C1 1041570094 MGBWYRNXSOFWJX-UHFFFAOYSA-N 321.362 -0.964 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)C[C@H](C)OC)C1 1041942146 BRWGGBRVRQNFEJ-LBPRGKRZSA-N 312.366 -0.859 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)CCCn2cncn2)C1 1041960044 GAORJVDCOGYTTH-UHFFFAOYSA-N 321.381 -0.286 30 20 DBED C#CCN1CC[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)C[C@@H]21 1042346430 UFWQWAGRCNLGPV-NEPJUHHUSA-N 304.350 -0.906 30 20 DBED C=C(C)CCC(=O)N1CC(O)(CNC(=O)[C@H]2CCNC(=O)C2)C1 1042521898 LXOKIIBFKDTWOE-LBPRGKRZSA-N 323.393 -0.442 30 20 DBED CO[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1NC(=O)[C@@H]1CCOC1 1042779617 SFIXZIGWUZUNGP-RAIGVLPGSA-N 317.349 -0.295 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)Cn2nccc2C)C1 1042800939 CICYUSTVNVEGHG-UHFFFAOYSA-N 318.377 -0.315 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(O)CN(C(=O)COCCC)C1 1042806446 HDLDZRWGTNOPOA-AWEZNQCLSA-N 314.382 -0.570 30 20 DBED Cc1c[nH]nc1C(=O)NCC1(O)CN(C(=O)C#CC(C)C)C1 1042952102 XRAKUNXRAKGXKE-UHFFFAOYSA-N 304.350 -0.319 30 20 DBED CCO[C@H]1C[C@@H]1C(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042959033 UBDBGKARBSCBTC-STQMWFEESA-N 306.362 -0.486 30 20 DBED CCC(=O)N[C@H](C)C(=O)NCC1(O)CN(C(=O)C#CC(C)C)C1 1043403989 KGNQGHZOHCGMQZ-GFCCVEGCSA-N 323.393 -0.750 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)c2n[nH]c(C)c2O)C1 1044455502 FGRLLWZDUYLBST-UHFFFAOYSA-N 322.365 -0.061 30 20 DBED C=CCn1cc(C(=O)N2CCC[C@H]2CN[C@H]2CCNC2=O)nn1 1045231924 HSLXLLFNWUXQPR-RYUDHWBXSA-N 318.381 -0.453 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)[C@@H]2CCCOCC2)C1 1045541197 RGDUDLDFLMYZCB-NWDGAFQWSA-N 309.366 -0.348 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)c2c[nH]c(C)cc2=O)C1 1045690197 SBMHVTOCOJDDBR-UHFFFAOYSA-N 319.361 -0.047 30 20 DBED N#CCN1CC[C@@H](N2CCN(C(=O)[C@H]3CCC(=O)N3)CC2)C1 1046012910 RDHFDNYDEQLSJE-CHWSQXEVSA-N 305.382 -0.993 30 20 DBED C#CCN1CC[C@@H](N2CCN(C(=O)C[C@@H]3COC(=O)C3)CC2)C1 1046020102 NJJTWULHOMHWCQ-LSDHHAIUSA-N 319.405 -0.209 30 20 DBED C=CC(C)(C)C(=O)N1CCN([C@@H]2CCN(CC(N)=O)C2)CC1 1046052382 XFYAAIRCEVJCBP-CYBMUJFWSA-N 308.426 -0.098 30 20 DBED Cn1nnc(C(=O)NC[C@H]2C[C@H](N=c3cc[nH]cc3C#N)C2)n1 1046991346 DTFMTQWWQHVRDI-HOMQSWHASA-N 312.337 -0.481 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC(=O)N(C(C)C)C2)C1 1047398978 BADUNVZRPPAYKI-IHRRRGAJSA-N 307.394 -0.620 30 20 DBED CN(C(=O)c1ccc2oc(O)nc2n1)[C@H]1CN(CC#N)C[C@@H]1O 1047597757 YCTYDUPWMSCEJB-UWVGGRQHSA-N 317.305 -0.431 30 20 DBED C#CCOCCC(=O)N(C)[C@H]1CN(C(=O)COCC=C)C[C@@H]1O 1048844473 LIDWPQKZJGFQAE-KBPBESRZSA-N 324.377 -0.741 30 20 DBED CC#CCN1C[C@H]2CN(C(=O)[C@H]3COCCN3C(C)=O)C[C@H]2C1 1049223079 GJKYLRURPRTYRN-OWCLPIDISA-N 319.405 -0.353 30 20 DBED C#CCOCCC(=O)N1CC[C@H]([C@H](C)NC(=O)c2cnn[nH]2)C1 1050721648 RGQNTVKTBQIRMJ-RYUDHWBXSA-N 319.365 -0.189 30 20 DBED C#CCCN1CCOC[C@@H]1CNC(=O)[C@H]1CCN(C)C(=O)C1 1050989866 XRMZQDUYMATBIB-KBPBESRZSA-N 307.394 -0.305 30 20 DBED C=C(C)CN1CCOC[C@@H]1CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 1051110957 FZCXWSDRQFGBFV-RWMBFGLXSA-N 311.382 -0.588 30 20 DBED Cn1cnc(C(=O)N2CC[C@H](N3CCN(CC#N)CC3)C2)n1 1052023246 QKGNNNGWFZPOPQ-LBPRGKRZSA-N 303.370 -0.829 30 20 DBED C#CCOCCC(=O)N1C[C@@H](C)[C@@H](CNC(=O)CC(N)=O)C1 1052592637 IFFHEAYEGYPKLL-NEPJUHHUSA-N 309.366 -0.888 30 20 DBED CC[C@]1(C(=O)N2CCOC3(CN(CC#N)C3)C2)CCNC1=O 1053292214 VUXHTLDQKBPSKY-HNNXBMFYSA-N 306.366 -0.661 30 20 DBED CC(=O)N1CCC[C@H]1C(=O)NC[C@H]1CCC2(CN(CC#N)C2)O1 1053692990 WYALOLHXWQCVSV-KGLIPLIRSA-N 320.393 -0.130 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)C3)CO2)C1 1053927616 GTOURVQQPKNOFL-HZSPNIEDSA-N 319.405 -0.129 30 20 DBED C[C@H](C#N)C(=O)N[C@@]1(CO)CCCN(C(=O)CC(C)(C)O)C1 1056093591 LHTHBPQLFAQQNT-ABAIWWIYSA-N 311.382 -0.223 30 20 DBED N#Cc1nc(=N[C@@H]2CCN(C(=O)c3cc[n+]([O-])cc3)C2)cc[nH]1 1056563668 GVDGUXXQGOFCAG-GFCCVEGCSA-N 310.317 -0.270 30 20 DBED Cc1cc(C#N)nc(N[C@@H]2CCN(C(=O)Cn3cnnn3)C2)n1 1056579884 WLEFIOWSNYLXDP-SNVBAGLBSA-N 313.325 -0.644 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)C[C@H]1COC(=O)C1 1057171402 ZMARLHDYRCYOPQ-GFCCVEGCSA-N 312.366 -0.157 30 20 DBED CN(C)CCC(=O)NCCN(CCO)C(=O)c1c[nH]c(C#N)c1 1057394486 VVWJGRINBVPUNB-UHFFFAOYSA-N 321.381 -0.611 30 20 DBED COc1nc(C(=O)NCCN(CCO)C(=O)C#CC2CC2)co1 1057538212 XLHCEJYLMSYXHE-UHFFFAOYSA-N 321.333 -0.353 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)[C@H](C)OCC#C 1057583611 UYXUCYDQHKMQTR-AWEZNQCLSA-N 308.378 -0.235 30 20 DBED C=C(C)CCC(=O)N(CCO)CCNC(=O)Cc1n[nH]c(C)n1 1057804418 HQFZCJXXCZFQRY-UHFFFAOYSA-N 323.397 -0.051 30 20 DBED CCc1c(C(=O)N(CCO)CCNC(=O)[C@H](C)C#N)cnn1C 1058061008 DXKNEPFXMVVMQD-LLVKDONJSA-N 321.381 -0.307 30 20 DBED N#Cc1cncc(N2CCC[C@@H](NC(=O)[C@@H]3CCNC3=O)C2)n1 1058221162 WNWFTPRWUQOHPC-ZYHUDNBSSA-N 314.349 -0.431 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)[C@H]1CCC(=O)N1C 1058485203 XOLYAYLJXHDTTG-GFCCVEGCSA-N 311.382 -0.490 30 20 DBED C#CCC1(C(=O)NCCN(CCO)C(=O)C(N)=O)CCCCC1 1058643205 HHNKJWKJGAEFNN-UHFFFAOYSA-N 323.393 -0.617 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)C[C@H]1CCC(=O)N1C 1058660567 CPRVPSRHHHOKCS-NWDGAFQWSA-N 324.381 -0.906 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)[C@H]1CN(C)C[C@@H]1C 1058846893 IIUOOOZABQSUCS-GJZGRUSLSA-N 323.437 -0.075 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1CCN(C(=O)Cn2cnnc2O)C1 1058855314 XIMLDBQLXFWLPZ-NSHDSACASA-N 313.321 -0.615 30 20 DBED Cc1c(C(=O)N2CC[C@H](N=c3cc[nH]c(C#N)n3)C2)nnn1C 1058865863 MDLQMNQBYJKYGB-JTQLQIEISA-N 312.337 -0.466 30 20 DBED C=C[C@H](C)[C@@H](C)C(=O)NCCN(CCO)C(=O)Cn1cncn1 1058885205 GXHQGGAFFZWDJS-QWHCGFSZSA-N 323.397 -0.327 30 20 DBED C=CCCC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1CN(C)C(=O)N1 1061401629 KENDHGLLTCURBC-NEPJUHHUSA-N 324.381 -0.680 30 20 DBED Cc1nccc(C(=O)N2CCOC[C@H]2CNC(=O)[C@H](C)C#N)n1 1061853157 QEVGNRGIYAQFIV-ZYHUDNBSSA-N 317.349 -0.098 30 20 DBED N#Cc1cnccc1N1[C@H]2CC[C@H]1CN(C(=O)Cn1ncnn1)C2 1061993187 PJTOIBHLPAFMOS-STQMWFEESA-N 324.348 -0.180 30 20 DBED C#CCCCC(=O)NC[C@H]1CCCCN1C(=O)CNC(N)=O 1061995864 YXHYEEHLGFVQGC-GFCCVEGCSA-N 308.382 -0.045 30 20 DBED C=CCOCC(=O)N1CCCC[C@@H]1CNC(=O)Cn1ncnn1 1062069632 MYABOJXUIIJTTQ-GFCCVEGCSA-N 322.369 -0.627 30 20 DBED C[C@H]1CCCN(C(=O)C(N)=O)[C@@H]1CNc1cnc(C#N)cn1 1063957001 NUTUZKOXTKMNAN-GXSJLCMTSA-N 302.338 -0.127 30 20 DBED Cc1cc(CC(=O)N2CCO[C@@H](CNC(=O)[C@@H](C)C#N)C2)n[nH]1 1065034100 GJLCHJSGUUBATA-GWCFXTLKSA-N 319.365 -0.236 30 20 DBED C#CCCCC(=O)N1CCO[C@H](CNC(=O)Cn2cncn2)C1 1065096383 DWYAAXJLSOCAHS-CYBMUJFWSA-N 319.365 -0.575 30 20 DBED CC(C)C#CC(=O)N1CCO[C@@H](CNC(=O)CCNC(N)=O)C1 1065132178 AHTWFRDPVXPNFN-LBPRGKRZSA-N 324.381 -0.952 30 20 DBED COC[C@@H](OC)C(=O)NC[C@@H]1CN(C(=O)C#CC2CC2)CCO1 1065137202 OCMHBIPWJLFLLY-ZIAGYGMSSA-N 324.377 -0.595 30 20 DBED N#Cc1cnc(N2[C@H]3CC[C@H]2CN(C(=O)CC(N)=O)CC3)cn1 1065139774 HDKQMNREMNMFMA-RYUDHWBXSA-N 314.349 -0.207 30 20 DBED Cc1cc(C#N)nc(N2[C@H]3CC[C@H]2CN(C(=O)C(N)=O)CC3)n1 1065162879 GNEHQZVPJISNRA-RYUDHWBXSA-N 314.349 -0.288 30 20 DBED Cn1nncc1C(=O)N[C@@]1(C)CCN(c2ccc(C#N)nn2)C1 1065250400 BRAXGDDBADYCPY-AWEZNQCLSA-N 312.337 -0.124 30 20 DBED CNS(=O)(=O)CC(=O)N(C)CCCN(C)C(=O)[C@@H](C)C#N 1067475646 HZOIBHZZKZFZGF-JTQLQIEISA-N 318.399 -0.998 30 20 DBED N#Cc1nccnc1N1C[C@H]2[C@H](CNC(=O)c3cnn[nH]3)[C@H]2C1 1068209796 MDGUPMRJKPPGSU-OWUUHHOZSA-N 310.321 -0.421 30 20 DBED CC(C)(C)C#CC(=O)N1CC2(CC[C@H](CNC(=O)C(N)=O)O2)C1 1068617271 VRMMBXWXPMEWRZ-LLVKDONJSA-N 321.377 -0.603 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)CN2CCOCC2)C1 1069910319 OSLSAYONSWTZEX-KGLIPLIRSA-N 320.397 -0.862 30 20 DBED C=C1CC(C)(C(=O)N2CCC(=O)NCCN(CCO)CC2)C1 1070998766 RYRHZQHNLZYAGG-UHFFFAOYSA-N 309.410 -0.015 30 20 DBED C#CCN1CCN([C@@H]2CCCN(C(=O)[C@H](C)C#N)C2)C(=O)C1 1071259124 YXNSTCMJUAKHFY-ZIAGYGMSSA-N 302.378 -0.086 30 20 DBED C=CCC1(C(=O)N2C[C@@H](NC(=O)C(N)=O)[C@H](C)C2)CCOCC1 1072512109 DKRNPQDSUFIMDZ-VXGBXAGGSA-N 323.393 -0.192 30 20 DBED C=CCOCC(=O)N1CC(N2CCN(C(=O)C3CC3)CC2)C1 1073522190 UZZPQDFMBORLDY-UHFFFAOYSA-N 307.394 -0.046 30 20 DBED COc1nn(C)cc1C(=O)NC[C@H]1CN(CC#N)CCCO1 1073722577 LTFWKTFONQUTER-NSHDSACASA-N 307.354 -0.227 30 20 DBED C#CCOCCC(=O)N[C@@H](C)CCNC(=O)[C@H](C)NC(N)=O 1076267209 JKFDQAVLXQPVSN-QWRGUYRKSA-N 312.370 -0.906 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC(=O)N(C)C2)C1 1077086586 ZCRDREICYTWZCF-HBNTYKKESA-N 301.774 -0.622 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 1077222674 XHOIWQJMFUVVNS-FDYHWXHSSA-N 317.817 -0.381 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)c1[nH]cnc1C 1077310446 LYVRBFPTQXVWGR-JTQLQIEISA-N 319.365 -0.518 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)[C@@H]1CC12CC2 1078730247 QEIHUFPFYQXASR-RYUDHWBXSA-N 305.378 -0.063 30 20 DBED CCN(C(=O)[C@@H]1CCNC1=O)C1CN(C(=O)CSCC#N)C1 1080217648 JPIJMVIULBFISS-LLVKDONJSA-N 324.406 -0.561 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)c2cc[nH]n2)C[C@H]1O 1081463973 USQKMXGKLZJVFH-DGCLKSJQSA-N 304.350 -0.382 30 20 DBED C#CCO[C@H](C)C(=O)N1CCCC[C@H]1CNC(=O)CNC(C)=O 1082074440 BLNZXKMBXFBYLG-OCCSQVGLSA-N 323.393 -0.342 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@@H](C2CC2)N2CCOCC2)[C@H](OC)C1 1082379830 NUVWCSOMTUWNAG-BZUAXINKSA-N 321.421 -0.454 30 20 DBED C=CCN1CC[C@H](N2C[C@H](O)[C@H](NC(=O)C3CCC3)C2)C1=O 1083302716 RGVFNOFEWBEHGU-RDBSUJKOSA-N 307.394 -0.265 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2cccc(C(N)=O)c2)[C@@H](O)C1 1090364450 JLAZGRSKAIMLRH-CABCVRRESA-N 315.373 -0.026 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2cnn3cc(C)cnc23)[C@H](O)C1 1090611433 FFXIZXOEVZHJJX-ZIAGYGMSSA-N 313.361 -0.164 30 20 DBED C#CCOc1ccc(C(=O)N[C@@H]2CCN(CCO)C[C@@H]2O)cc1 1090624138 MPXDXPILFUBSHR-CVEARBPZSA-N 318.373 -0.144 30 20 DBED C=CCCN1CC[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)[C@@H](O)C1 1090771424 SAMSNCALLMDIDX-OLZOCXBDSA-N 323.397 -0.982 30 20 DBED Cc1cc(N2CC[C@@H](NC(=O)CC(N)=O)[C@H](O)C2)c(C#N)cn1 1092135178 VRKZILORNKFCAS-DGCLKSJQSA-N 317.349 -0.807 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(c2cnc(C#N)cn2)C[C@H]1O 1092154596 YKQLJOBSBIONJK-CHWSQXEVSA-N 317.349 -0.393 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc2nnnn2n1 1092811379 GCBVJVMCGPNWHO-VLEAKVRGSA-N 312.337 -0.095 30 20 DBED C[C@@H](CC(=O)N1CCN(c2ccnc(C#N)n2)CC1)NC(N)=O 1093177622 FKNVPTOQZUWCNL-JTQLQIEISA-N 317.353 -0.556 30 20 DBED CNC(=O)NCC(=O)N1CCN(c2nc(C)ccc2C#N)CC1 1093202193 NAJHKKDEMARLGA-UHFFFAOYSA-N 316.365 -0.161 30 20 DBED N#Cc1cnc(N2C[C@@H]3C(NC(=O)CCc4cnn[nH]4)[C@H]3C2)cn1 1093361832 QYCKCFVTVTWGNZ-RYUDHWBXSA-N 324.348 -0.350 30 20 DBED CCOCCO[C@@H](C)C(=O)NCCN=c1cc[nH]c(C#N)n1 1093672596 WPCNEZRTSFWSLR-NSHDSACASA-N 307.354 -0.260 30 20 DBED COC(=O)NCC(=O)N1CCC(N=c2cc[nH]c(C#N)n2)CC1 1095214885 FRZUXNTVLMLTQP-UHFFFAOYSA-N 318.337 -0.471 30 20 DBED C=CCn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3[C@H](C)C(N)=O)nn1 1096126712 IYFXMAJJTHOCLN-DCQANWLSSA-N 318.381 -0.327 30 20 DBED N#Cc1nccc(N2CC[C@@H](NC(=O)CCn3ccnn3)C2)n1 1096362987 OYZJAVIBIIIEGI-LLVKDONJSA-N 312.337 -0.275 30 20 DBED N#Cc1nc(=N[C@H]2CCN(C(=O)CCCCC(N)=O)C2)cc[nH]1 1096957331 JJDLBXXHYXBGAN-NSHDSACASA-N 316.365 -0.171 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1CCC(=O)NC1=O 1098165397 ALSHOIIQMJAGDC-UTUOFQBUSA-N 304.350 -0.717 30 20 DBED CC(=O)N1CCOC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC#N 1098441761 VTDFZSCLBQPLNJ-MQYQWHSLSA-N 306.366 -0.521 30 20 DBED C=CCN(CCO)C1CCN(C(=O)[C@@H]2CC[C@H]2C(N)=O)CC1 1098447454 LDKDAMGAQURTOT-ZIAGYGMSSA-N 309.410 -0.031 30 20 DBED C#CCN(CCO)C1CCN(C(=O)[C@H](C)[C@@H]2CCC(=O)N2)CC1 1098485136 NWWNIDKNAJWSHK-HIFRSBDPSA-N 321.421 -0.180 30 20 DBED C[C@H](CCNC(=O)CCNC(N)=O)Nc1cncc(C#N)n1 1099147219 MKJNXRFDDKIAIH-SECBINFHSA-N 305.342 -0.287 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)C=C2CCC2)[C@@H](O)C1 1099764111 PYBIQVAKWRMAGX-KGLIPLIRSA-N 307.394 -0.050 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)c2cncn2C)[C@H](O)C1 1099906038 IBUAVGYSPMZMRU-TZMCWYRMSA-N 308.382 -0.212 30 20 DBED CC#CCN1CC[C@H](NC(=O)CCc2cncnc2)[C@H](O)C1 1099916244 KTHYMTLDGJYMOZ-LSDHHAIUSA-N 302.378 -0.016 30 20 DBED CN(CCNC(=O)CN1CCCC1=O)c1cncc(C#N)n1 1099922015 QFHSMIPPJMBPLR-UHFFFAOYSA-N 302.338 -0.477 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1CCN(CC(=O)NCC#N)C[C@H]1O 1099944285 LLANAYKDXXMUCN-VXGBXAGGSA-N 308.382 -0.610 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)CCCC#CC)[C@H](O)C1 1099962749 SXXCBHJOOWNCFN-LSDHHAIUSA-N 319.405 -0.519 30 20 DBED CN(CCNC(=O)CC(N)=O)c1ccc(C#N)cc1[N+](=O)[O-] 1099970837 MBOZAJVDCISCNX-UHFFFAOYSA-N 305.294 -0.106 30 20 DBED C#CCN1CC[C@@H](NC(=O)CNC(=O)c2ccccc2)[C@H](O)C1 1100083442 SIRSCMHWJRNSDZ-HUUCEWRRSA-N 315.373 -0.399 30 20 DBED CN(CCNC(=O)CN1C(=O)CNC1=O)c1ncccc1C#N 1100095789 GKGAUSOZHMVSID-UHFFFAOYSA-N 316.321 -0.943 30 20 DBED CC#CCN1CC[C@H](NC(=O)CNC(=O)C2CCC2)[C@H](O)C1 1100123677 ANNMVUIQVGUBOQ-UONOGXRCSA-N 307.394 -0.523 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2[nH]cnc2C)[C@H](O)C1 1100145338 JNTJVYSHMWBRDF-CHWSQXEVSA-N 306.366 -0.467 30 20 DBED CCN(CCNC(=O)[C@@H]1CN(C)CCO1)c1ccc(C#N)nn1 1100496151 XZWQZZDAJVTMCA-ZDUSSCGKSA-N 318.381 -0.379 30 20 DBED N#Cc1ccc(N2CC[C@@H](CNC(=O)CNC(N)=O)C2)cn1 1100927856 QXXBMIUEYFBYCT-JTQLQIEISA-N 302.338 -0.436 30 20 DBED COC[C@@H](OC)C(=O)NC[C@@H]1CCN(c2nccnc2C#N)C1 1101050594 LVZZWWQUXNQNIB-WCQYABFASA-N 319.365 -0.048 30 20 DBED C[C@@H](CC(=O)N(C)CCNc1ccc(C#N)nn1)NC(N)=O 1101786087 PDUDULNJVOVYNJ-VIFPVBQESA-N 305.342 -0.335 30 20 DBED C=CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)c2cn(C)nn2)C1 1101939091 FWQLJISYUGYSFM-VXGBXAGGSA-N 320.397 -0.585 30 20 DBED COCC#CCN1C[C@@H](C)[C@H](CNC(=O)CCn2cnnn2)C1 1102479448 QFRUXNXKXANBMP-ZIAGYGMSSA-N 320.397 -0.603 30 20 DBED C#CCCN1C[C@@H](C)[C@H](CNC(=O)CC[C@H]2NC(=O)NC2=O)C1 1102562899 ACNNAINNNIJRCQ-JHJVBQTASA-N 320.393 -0.318 30 20 DBED CNC(=O)NCC(=O)N(C)[C@H]1CCN(c2ccc(C#N)nc2)C1 1102766841 LKOQMOXEALKCPN-ZDUSSCGKSA-N 316.365 -0.081 30 20 DBED COC[C@@H](C)C(=O)NCC[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1102773541 HUXXWINDXNLUFJ-MGPQQGTHSA-N 324.425 -0.017 30 20 DBED C[C@@H](C#N)C(=O)NCC[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1102783909 JBWZFWOUPFEERK-YNEHKIRRSA-N 305.382 -0.140 30 20 DBED Cc1cc(=NC[C@H](C)CNC(=O)CS(C)(=O)=O)c(C#N)c[nH]1 1103868073 DAQCQPVXNDZSDD-JTQLQIEISA-N 324.406 -0.108 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)c1nccnc1N 1104532351 FREREMKCTGFOLM-SECBINFHSA-N 312.337 -0.285 30 20 DBED C[C@@H](CNc1cncc(C#N)n1)N(C)C(=O)c1nnn(C)n1 1104763525 IGVINEGMJJSJFZ-QMMMGPOBSA-N 301.314 -0.556 30 20 DBED N#Cc1nc(=NC[C@H](NC(=O)C(N)=O)C2CCCCC2)cc[nH]1 1105021670 DFCOXNRVSUPEIG-NSHDSACASA-N 316.365 -0.268 30 20 DBED C=CCCC(=O)N1CC(n2cc(CNCC(=O)NC)nn2)C1 1105183214 HPFVYPMUKCFVFM-UHFFFAOYSA-N 306.370 -0.537 30 20 DBED CC(=O)N1C[C@]2(C[C@@H](O)[C@H](NCC(=O)NCC#N)C2)[C@H]1C(C)C 1105587971 PPKJUJPEKRUFMI-XOUADPBQSA-N 322.409 -0.388 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CCC[C@@H]1CN=c1cc[nH]c(C#N)n1 1105644207 KRHRSHXLCFSOMK-VXGBXAGGSA-N 316.365 -0.397 30 20 DBED N#Cc1cnc(NC[C@@H](O)CNC(=O)Cc2cncnc2)cn1 1105805744 ICOXJBBFXRYFDX-GFCCVEGCSA-N 313.321 -0.730 30 20 DBED CCCN(C)CC(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1 1105910345 UNCWVQZVVNPYSY-LLVKDONJSA-N 306.370 -0.999 30 20 DBED CCc1n[nH]cc1C(=O)NC[C@H](O)CNc1nccnc1C#N 1106162657 DZQWLQHLMMFIBG-SECBINFHSA-N 315.337 -0.163 30 20 DBED C[C@H](CCN=c1cc[nH]cc1C#N)NC(=O)Cn1cnnc1O 1106287626 QJOWKDVCNSDCKD-SNVBAGLBSA-N 315.337 -0.321 30 20 DBED Cc1c(C(=O)N[C@H](C)CCN=c2cc[nH]c(C#N)n2)nnn1C 1106290510 HMQYAOAVVBEJKJ-SECBINFHSA-N 314.353 -0.172 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)c1nccnc1N 1106711738 KUFNMWNNGYRQDB-UHFFFAOYSA-N 312.337 -0.283 30 20 DBED CN1C(=O)CC[C@H]1C(=O)NC/C=C/CN=c1cc[nH]c(C#N)n1 1107451683 OXSNOGJISBDYSO-VUDBWIFFSA-N 314.349 -0.525 30 20 DBED COC[C@H](O)CN1CCO[C@](C)(CNC(=O)C#CC2CC2)C1 1107932331 KHUHFPXCVDFJSG-GDBMZVCRSA-N 310.394 -0.386 30 20 DBED CCN1CCOC[C@@H]1C(=O)N[C@H](C)CN=c1cc[nH]c(C#N)n1 1107994371 DSFDTPFIIVCLCF-VXGBXAGGSA-N 318.381 -0.593 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](C)NC(=O)[C@@H]2CCNC2=O)n1 1108039775 JNBVRBFKGRQDNL-MWLCHTKSSA-N 302.338 -0.291 30 20 DBED CC#CCCCC(=O)N[C@@H]1CC(=O)N(C2CN(C[C@@H](C)O)C2)C1 1108564709 QHQFBRNXNYMTMQ-ZIAGYGMSSA-N 321.421 -0.038 30 20 DBED CCC(=O)NCC(=O)N[C@H](C)CN(C)c1cnc(C#N)cn1 1108879434 DEZYZHBBABCELB-SNVBAGLBSA-N 304.354 -0.185 30 20 DBED C[C@@H](CN(C)c1cncc(C#N)n1)NC(=O)c1cnn(C)c1N 1108933967 ZSHKEAXDUPHJMT-VIFPVBQESA-N 314.353 -0.081 30 20 DBED N#Cc1ccc(NC[C@H](NC(=O)[C@H]2CCC(=O)N2)C2CC2)nn1 1109794072 QJIWIPHDNKOKQH-NEPJUHHUSA-N 314.349 -0.066 30 20 DBED Cn1nncc1C(=O)N[C@H](CN=c1cc[nH]c(C#N)n1)C1CC1 1109833142 VQHLMJQRPQCPJM-SNVBAGLBSA-N 312.337 -0.481 30 20 DBED CCO[C@@H](C)C(=O)N(C)[C@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1111174803 YTEVVZRMBUUICO-SRVKXCTJSA-N 319.365 -0.219 30 20 DBED CC[C@H](OC)C(=O)N(C)[C@H]1CN(c2nccnc2C#N)C[C@@H]1O 1111178880 JUEGIKXOIZWSOU-AVGNSLFASA-N 319.365 -0.219 30 20 DBED CCc1nc(C#N)cc(N2C[C@@H](O)[C@H](CNC(=O)COC)C2)n1 1112693108 XATVONUVFHJXFQ-ZYHUDNBSSA-N 319.365 -0.530 30 20 DBED C[C@H](N=c1cc[nH]c(C#N)n1)[C@@H](C)NC(=O)CN1CCCC1=O 1112905971 UNEPNNQQGUIKNG-WDEREUQCSA-N 316.365 -0.302 30 20 DBED Cc1c(C(=O)N[C@H](C)[C@H](C)N=c2cc[nH]c(C#N)n2)nnn1C 1112948341 CYQHTIBOXPUYMI-DTWKUNHWSA-N 314.353 -0.174 30 20 DBED Cc1cc(OCC(=O)N2CCN(CC(=O)NCC#N)CC2)no1 1112984563 RKJKBQMAIFYDGW-UHFFFAOYSA-N 321.337 -0.854 30 20 DBED C[C@@H](N=c1cc[nH]c(C#N)n1)[C@@H](C)NC(=O)c1ncn(C)n1 1113002462 XALALJGANDZDSR-RKDXNWHRSA-N 300.326 -0.482 30 20 DBED C[C@@H](CNC(=O)[C@@H]1COCCN1C)N(C)c1cnc(C#N)cn1 1113559657 BASGQJRPKIIARJ-AAEUAGOBSA-N 318.381 -0.380 30 20 DBED C[C@@H](CNC(=O)c1ncn(C)n1)N(C)c1ccc(C#N)nn1 1113583235 ZTQRXZLKZPSAEY-VIFPVBQESA-N 300.326 -0.269 30 20 DBED C[C@@H](CNC(=O)C1CS(=O)(=O)C1)N(C)c1ccnc(C#N)n1 1113734186 ZBSAHWGNNLAQFJ-VIFPVBQESA-N 323.378 -0.666 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)c3cc(C)n(C)n3)[C@@H]2C1 1113947440 AAOJGJMKFZESQB-VXGBXAGGSA-N 315.377 -0.862 30 20 DBED C=C[C@](C)(O)CC(=O)NC1[C@H]2CN(CC(=O)NC3CC3)C[C@H]12 1114194838 WNXNWWSMLTYYCP-MKBNYLNASA-N 307.394 -0.362 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)[C@]3(C)CCC(=O)NC3)[C@H]2C1 1114721306 MUMHWAQJGVTXEF-RPCCPQHDSA-N 319.405 -0.401 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)CC3=CCOCC3)[C@H]2C1 1114777121 YAHYEBLMDWINGY-HALDLXJZSA-N 317.389 -0.481 30 20 DBED N#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3ncccc3F)[C@H]2C1 1115013241 JCXOGJVRNWPJEM-UWVGGRQHSA-N 317.324 -0.480 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)[C@H]3CCN(C)C3)[C@@H]2C1 1115242285 YQBDBFLQHMQEPI-YNEHKIRRSA-N 306.410 -0.713 30 20 DBED C[C@H](CN(C)C(=O)c1cnnn1C)N=c1cc[nH]c(C#N)n1 1115703332 WXELNEPHTLGYSB-SECBINFHSA-N 300.326 -0.529 30 20 DBED CCn1nncc1C(=O)N(C)C[C@H](C)N=c1cc[nH]c(C#N)n1 1115706059 QEHIQXWSRMDSEB-JTQLQIEISA-N 314.353 -0.046 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1C[C@H](C)O[C@@]2(CCOC2)C1 1117543606 GUIVOSZRIBJCTD-ZOWXZIJZSA-N 312.366 -0.290 30 20 DBED N#Cc1cnc(N[C@@H](CO)CNC(=O)Cn2cccn2)cn1 1121056503 WMAGYDLBRFYRDV-LLVKDONJSA-N 301.310 -0.866 30 20 DBED N#CCSCC(=O)NC[C@@H](CO)Nc1cncc(C#N)n1 1121085782 BNQAUPQRNLFUJC-JTQLQIEISA-N 306.351 -0.506 30 20 DBED COCCc1nsc(N[C@@H](CO)CNC(=O)[C@@H](C)C#N)n1 1121214161 XSXWRTRTLALMGU-DTWKUNHWSA-N 313.383 -0.224 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)[C@H]2CCC(=O)N2)cn1 1121331537 HHILZMRTRNGGSI-VXGBXAGGSA-N 303.322 -0.879 30 20 DBED N#Cc1cccnc1N[C@H](CO)CNC(=O)Cc1cc[nH]n1 1121400166 VBAGRMHYSOHXLC-LBPRGKRZSA-N 300.322 -0.192 30 20 DBED CN1CC[C@@H](C(=O)NC[C@@H](CO)Nc2ccc(C#N)nn2)C1 1121588534 BTYXHHMRALPOAR-PWSUYJOCSA-N 304.354 -0.811 30 20 DBED CN(C[C@@H](O)CNc1ncccc1C#N)C(=O)CCCC(N)=O 1124394341 UEIKZPQGQXFYKU-LBPRGKRZSA-N 319.365 -0.160 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCNCc1nnc2n1CCOC2 1126364870 CMKKDIXJCWKHDV-CQSZACIVSA-N 309.370 -0.659 30 20 DBED C=C[C@](C)(O)CC(=O)NCCNC[C@H](O)CN1CCCC1=O 1126366037 PSKCBZZRRSFXDH-WFASDCNBSA-N 313.398 -0.997 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1cccc2nn[nH]c12 1128062098 VWFUMSYSFSJAOY-SNVBAGLBSA-N 314.349 -0.585 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H](n2ccnn2)[C@H](NC(C)=O)C1 1128607579 JTSMGWYZCGZPPV-UHTWSYAYSA-N 306.370 -0.670 30 20 DBED C#CCC1(C(=O)NCCNCC(=O)NC(=O)NCC)CCC1 1129121485 XCSZRMWGQCFHMI-UHFFFAOYSA-N 308.382 -0.269 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCN[C@@H](CCCC)C(N)=O 1129771288 UTSWFKYNLNMVRV-KBPBESRZSA-N 308.426 -0.166 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)C(C)(C)C(N)=O 1129936292 ZIWQGNGGBKYYLP-UHFFFAOYSA-N 310.398 -0.596 30 20 DBED C=CCN[C@@H]1CN(C(=O)CNC(=O)NC)C[C@H]1c1cncn1C 1131003526 INOYNKFZXWMOQT-VXGBXAGGSA-N 320.397 -0.581 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)C[C@H](C)c1cnn(C)c1 1131741517 IGHPTFNLSIQCEZ-QWHCGFSZSA-N 319.409 -0.243 30 20 DBED C[C@H]1CC[C@H](NC(=O)c2cocn2)CN1CC(=O)NCC#N 1131895639 KYPXZXHXZCQCGZ-QWRGUYRKSA-N 305.338 -0.103 30 20 DBED C[C@@H]1CCN(C(=O)CN2CCC(=O)NC2=O)C[C@@H]1CNCC#N 1133234628 UWZHGTPUFDFBOQ-NEPJUHHUSA-N 321.381 -0.474 30 20 DBED C#CCCN[C@@H](C)C[C@@H](C)NC(=O)c1cn(C)c(=O)n(C)c1=O 1135613541 GVACMHKZAWXPES-NWDGAFQWSA-N 320.393 -0.406 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)Cn1cccn1)C2 1146991107 YMPCRFROGSHSSS-UHFFFAOYSA-N 315.377 -0.833 30 20 DBED N#CCNC(=O)CNCCNC(=O)Cc1ccc2c[nH]nc2c1 1149505294 JRHCHOYQAVZPBC-UHFFFAOYSA-N 314.349 -0.549 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)Cc1[nH]cnc1C 1156613209 TXAYNOXCLBXOII-LLVKDONJSA-N 320.397 -0.273 30 20 DBED CN(CC#N)C[C@H]1CCCCN1C(=O)Cn1ncn(C)c1=O 1158165426 XHAGOKIDRLBMGH-GFCCVEGCSA-N 306.370 -0.582 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)Cc1ccn(CC)n1 1158449702 HJSMDYYYONOYQX-CYBMUJFWSA-N 319.409 -0.321 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)c1cccc(=O)n1C 1166354760 HMWJYHWNDMOHSX-GFCCVEGCSA-N 318.377 -0.767 30 20 DBED C#CCN1CC(O)(CN(Cc2ccccc2)C(=O)C(N)=O)C1 1177540779 FNKUHOIBJFWTAP-UHFFFAOYSA-N 301.346 -0.820 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@H](C)N1CCOCC1 1177570632 VDSJVFBCPASEOR-ZDUSSCGKSA-N 312.414 -0.895 30 20 DBED C#CCNC[C@H]1C[C@H]2CC[C@H]1N(C(=O)CCNC(=O)COC)C2 1177782761 CCOVBYOWFAIKIY-RBSFLKMASA-N 321.421 -0.011 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)c2n[nH]c(C)c2O)[C@H]1C 1178467568 KIWDWPDZXCLWKH-QWRGUYRKSA-N 321.381 -0.081 30 20 DBED CC#CCN[C@H]1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)[C@H]1C 1179644190 BIIXYGQAWWTARM-AAEUAGOBSA-N 318.377 -0.700 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2snnc2C)C1 1180871088 QSFXBHXVGNCJOB-SNVBAGLBSA-N 307.379 -0.600 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2cnnc(C)c2)C1 1182188217 OLYLIXFPUWNARK-GXTWGEPZSA-N 315.377 -0.273 30 20 DBED C=CCOCCNC[C@]1(C)CN(C(=O)[C@@H]2CNC(=O)N2)C[C@H]1C 1182437841 SZNMETYKKSSHEP-DVOMOZLQSA-N 324.425 -0.055 30 20 DBED C[C@@H]1CCCN1CC(=O)N1CC[C@@H](NCC(=O)NCC#N)C1 1185659873 RLMKHZRZIAFSMO-CHWSQXEVSA-N 307.398 -0.699 30 20 DBED C#CCNC[C@H]1CCN(C(=O)CS(=O)(=O)NC)C[C@H]1C 1185709981 PFUBCKZEJWXLSL-VXGBXAGGSA-N 301.412 -0.757 30 20 DBED N#CCNC(=O)CN[C@@H]1CCN(C(=O)c2ncccc2F)C1 1186554289 AIURYMXMQRHPIQ-SNVBAGLBSA-N 305.313 -0.335 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)CCc2cnccn2)C1 1186809200 YAYSBRKGPAWWQF-CQSZACIVSA-N 317.393 -0.098 30 20 DBED COCC#CCN1C[C@@H]2CCN(C(=O)CO[C@@H]3CCOC3)[C@@H]2C1 1187888942 AXZAZYUDMBQPJX-ARFHVFGLSA-N 322.405 -0.026 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2cncnc2C)C1 1189020129 ARRTWEUGUJUYJI-ZDUSSCGKSA-N 315.377 -0.319 30 20 DBED COCC#CCN(C)[C@@H]1CCN(C(=O)CN2CCOCC2)C1 1189717907 UTTQRXMMVZJGTK-OAHLLOKOSA-N 309.410 -0.499 30 20 DBED CN1CCC[C@H](N2C[C@@H](O)[C@H](NC(=O)C#CC(C)(C)C)C2)C1=O 1192870663 FYBDUWHKMUSJMF-HZSPNIEDSA-N 321.421 -0.182 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN([C@@H](C)c2nncn2C)C[C@H]1O 1192885753 GDHNYINYRSOWDP-YNEHKIRRSA-N 321.381 -0.923 30 20 DBED C=CCCCN1C[C@@H](O)[C@H](NC(=O)CNS(=O)(=O)CC)C1 1193447070 IQUBTFMFCYUZCS-VXGBXAGGSA-N 319.427 -0.947 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)C2(NC(C)=O)CCCCC2)C1 1194228596 ZWTXRNVDLHXVHX-ZIAGYGMSSA-N 307.394 -0.380 30 20 DBED CN1CCC[C@H]1C(=O)N1CCCN(CC(=O)NCC#N)CC1 1195275758 UQHSFRCSQFEUMX-ZDUSSCGKSA-N 307.398 -0.745 30 20 DBED C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)CCNC(N)=O)C1 1198490111 RTUQRPZDGODBSN-CHWSQXEVSA-N 312.414 -0.048 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC23CCOCC3)C1 1199575562 XDKWTVIDCPXHGS-RBSFLKMASA-N 322.405 -0.386 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC(NCc2cn(C)nn2)CC1 1200531256 BINODWIHBASENQ-LBPRGKRZSA-N 305.382 -0.066 30 20 DBED C=CCCNC[C@H]1CN(C(=O)C2CS(=O)(=O)C2)CCCO1 1200583871 WOJHVZTWWVPCLC-ZDUSSCGKSA-N 316.423 -0.186 30 20 DBED C=CCOCCNC[C@H]1CN(C(=O)c2cnn(C)n2)CCCO1 1201629345 FXACHRKAZPBPAM-ZDUSSCGKSA-N 323.397 -0.162 30 20 DBED C=CCOCC(=O)N1C[C@H]2CC[C@H]1[C@H](NCc1nnnn1C)C2 1204136850 ZTZIDFLHSOEXQU-XQQFMLRXSA-N 320.397 -0.118 30 20 DBED COCC#CCN1C[C@@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)[C@H](C)C1 1207686610 HZKNNOMJQZDWRF-KLHDSHLOSA-N 323.437 -0.208 30 20 DBED CCN1CCOC[C@@H]1C(=O)N1CCC[C@@H](NCC#CCOC)C1 1208459661 GJUZJSHIOZUAOG-HZPDHXFCSA-N 323.437 -0.063 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)c2ccncn2)C1 1210252748 CNRVPVXVIXIHDA-LBPRGKRZSA-N 303.366 -0.027 30 20 DBED C=C(C)CCC(=O)N[C@@H]1CN([C@@H]2CCC(=O)NC2=O)C[C@H]1OC 1212346904 HXQCQFZJGISHNP-JHJVBQTASA-N 323.393 -0.037 30 20 DBED C#CCCN1C[C@@H](NC(=O)[C@@]2(CC)CCNC2=O)[C@H](OC)C1 1212428405 ZMXRAILZULDPJX-IOASZLSFSA-N 307.394 -0.259 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)c2cc(C)no2)C[C@H]1C 1214130276 XDEKYHRKJQSNFP-ZYHUDNBSSA-N 304.350 -0.217 30 20 DBED C#CCN[C@@H]1CN(C(=O)CN(C)CC(=O)NC(C)C)C[C@H]1C 1215060502 JUCFDMPNUXMNIO-ZIAGYGMSSA-N 308.426 -0.488 30 20 DBED C=CCOCCCC(=O)N[C@@H]1CN(Cc2ncnn2C)C[C@@H]1O 1219427038 WKYWYGGTGZSVGR-OLZOCXBDSA-N 323.397 -0.541 30 20 DBED CC(C)(C)C#CC(=O)N[C@@H]1CN(CCN2CCNC2=O)C[C@@H]1O 1219598065 GVTPPXNAVHFPKI-OLZOCXBDSA-N 322.409 -0.778 30 20 DBED CC(F)(F)CCC(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@@H]1O 1219893852 OQULJJRNQXWKAB-ZJUUUORDSA-N 318.324 -0.777 30 20 DBED C=CCCCN1C[C@H](O)[C@H](NC(=O)[C@@H]2COCCN2CC)C1 1219919945 UTEAEHSNYCTIOS-ILXRZTDVSA-N 311.426 -0.165 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)[C@@H](OC)C2CC2)CC1 1227161227 DNOWKERAHAHXPP-HNNXBMFYSA-N 307.394 -0.259 30 20 DBED COCC#CCN1CCC(NC(=O)CN2C(=O)CCC2=O)CC1 1230204024 QQQGBPLAGLBWED-UHFFFAOYSA-N 321.377 -0.634 30 20 DBED C#CCCN1CCS(=O)(=O)[C@H](CCNC(=O)COCC)C1 1230413639 TYILJGRSCAPLGX-CYBMUJFWSA-N 316.423 -0.349 30 20 DBED CC[C@H](F)C(=O)NCC[C@@H]1CN(CC#N)CCS1(=O)=O 1230480280 AYERUHQQVXVWBT-MNOVXSKESA-N 305.375 -0.137 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@H]1CN(C)C(=O)Cc1cc[nH]n1 1231407957 REOQHUUNIRCMNE-JSGCOSHPSA-N 317.393 -0.377 30 20 DBED COC[C@@](C)(C#N)NC(=O)Cc1ccc(S(N)(=O)=O)s1 1319306917 ZHGPCZVIRPATSN-LLVKDONJSA-N 317.392 -0.017 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)NCCS(=O)(=O)CC=C 1325698102 SAXSTTJXNAOPNR-UHFFFAOYSA-N 310.375 -0.812 30 20 DBED C=CCn1cc(CNC(=O)C(=O)NCCn2cccn2)nn1 1326237535 WSRDBTAHUHSMRF-UHFFFAOYSA-N 303.326 -0.907 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)N2CCOC[C@H]2C2CCC2)CCO1 1326242033 UKZKVCQESGTETE-STQMWFEESA-N 307.350 -0.235 30 20 DBED C#CC1CCN(C(=O)C(=O)N2CCCN(C(C)=O)CC2)CC1 1326513738 VXASNGMHXHCSHI-UHFFFAOYSA-N 305.378 -0.061 30 20 DBED CCC[C@@]1(CO)CCN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)C1 1326547332 OGYHLLIBSBPZNL-HZPDHXFCSA-N 323.393 -0.125 30 20 DBED C=C1CN(C(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)C1 1332211074 UNUXWDPMLITAIZ-JTQLQIEISA-N 311.363 -0.450 30 20 DBED C=CCN(C(=O)C(=O)NC[C@H]1CNCCCO1)[C@H](C)COC 1333547375 DXMJCRRWCBKMPF-CHWSQXEVSA-N 313.398 -0.469 30 20 DBED C=C(CO)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1CO 1336322564 KYQICGCEEHCRRR-NSHDSACASA-N 300.355 -0.025 30 20 DBED N#C[C@@]1(F)CCN(C(=O)C(=O)N2CCc3ncncc3C2)C1 1338184279 KKGWQIFZYAKLBK-AWEZNQCLSA-N 303.297 -0.175 30 20 DBED CN(CC(N)=O)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N 1341715737 VWXZNYPRPBTUPL-UHFFFAOYSA-N 306.326 -0.608 30 20 DBED C=CCn1c(CN2CCC[C@@H](O)C2)nnc1N1CCNC(=O)C1 1342133349 RENWMXNWLNHYIK-GFCCVEGCSA-N 320.397 -0.643 30 20 DBED C=CCn1c(N2CCN(C)C(=O)[C@@H]2C)nnc1[C@@]1(O)CCOC1 1342443091 PVVDZPCOHFOLOI-XHDPSFHLSA-N 321.381 -0.261 30 20 DBED Cc1nnc([C@@H](C)NC(=O)Cn2cc(C#N)c(O)nc2=O)s1 1362461870 JALDAFSQRUWTQE-ZCFIWIBFSA-N 320.334 -0.142 30 20 DBED CN(C[C@H]1CCCN1C)C(=O)Cn1cc(C#N)c(O)nc1=O 1363421858 SBGOXHOIXPRKPO-LLVKDONJSA-N 305.338 -0.627 30 20 DBED C[C@@H](CO)C1CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)CC1 1363872608 KTPALXJJSGAHDD-JTQLQIEISA-N 320.349 -0.312 30 20 DBED N#Cc1ccc(CC(=O)NCCc2nnc3n2CCNC3=O)cc1 1364054094 FGLNNAXVGSWCOK-UHFFFAOYSA-N 324.344 -0.205 30 20 DBED C=C(Cl)CN1CC(CNC(=O)CCNC(=O)COC)C1 1366966024 AFTAABWUZAUIIO-UHFFFAOYSA-N 303.790 -0.060 30 20 DBED CC(C)CN1C[C@@H](C(=O)N2CC(NC(=O)[C@H](C)C#N)C2)CC1=O 1374751422 RKFWZXKJXLAXFG-NEPJUHHUSA-N 320.393 -0.022 30 20 DBED CC(=O)N1CC(C(=O)N2CC[C@](C)(CNC(=O)[C@@H](C)C#N)C2)C1 1379850472 ZISPFKPOJDWCHG-MEDUHNTESA-N 320.393 -0.021 30 20 DBED Cc1nc(C)c(C(=O)N(C)C[C@H](O)CNC(=O)[C@H](C)C#N)[nH]1 1384273832 KANMVBHUXXBHDM-LDYMZIIASA-N 307.354 -0.265 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CCN(C(=O)CCCS(C)(=O)=O)C1 1385617028 YBRPZJPKBMIJSK-QWRGUYRKSA-N 315.395 -0.312 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)c2cnsn2)C1 1401052733 OATWIUJYQHQAQJ-QPUJVOFHSA-N 309.351 -0.609 30 20 DBED C[C@@H](C#N)C(=O)N(C)C[C@@H]1CCCN1C(=O)Cn1ncnn1 1404053253 OQBHLAIOWBZWDN-QWRGUYRKSA-N 305.342 -0.718 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)c2cc(=O)n(C)cn2)CC1 1410803266 HOJPTIISXUXGRE-SECBINFHSA-N 303.322 -0.681 30 20 DBED C[C@H](CNC(=O)c1cnn(C)n1)NC(=O)c1cc(C#N)c[nH]1 1415208448 SABHCYPUPLVVTD-MRVPVSSYSA-N 301.310 -0.437 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]1CN(C)C(=O)CN1CCOCC1=O 1429017388 RXWMRVYAGOLDJY-NWDGAFQWSA-N 322.365 -0.936 30 20 DBED COCCC(=O)NCc1cc(O)nc(CNC(=O)[C@H](C)C#N)n1 1429170945 BAQUCQHPKLAZBF-SECBINFHSA-N 321.337 -0.389 30 20 DBED CC(=O)N1CCC[C@H](C(=O)N2CC(CNC(=O)[C@@H](C)C#N)C2)C1 1432477548 UEMGKHYVEPUUHL-FZMZJTMJSA-N 320.393 -0.021 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CN(C)C(=O)c1ncccc1O 1444639246 GWMZQWVFUSDUFS-NXEZZACHSA-N 306.322 -0.504 30 20 DBED CC(=O)N1CCC[C@@H]1C(=O)N1CC(CNC(=O)[C@@H](C)C#N)C1 1450711426 LNYVNPAODHJYBB-GXFFZTMASA-N 306.366 -0.268 30 20 DBED CNC(=O)NCCC(=O)N[C@@]1(C)CCN(C(=O)[C@H](C)C#N)C1 1453841677 AVXNPBARSXTOPP-YGRLFVJLSA-N 309.370 -0.428 30 20 DBED CN(CCC#N)S(=O)(=O)N1CCC(c2nnc(N)o2)CC1 1464224684 FAUUNUYOBVMPDL-UHFFFAOYSA-N 314.371 -0.079 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CCN(C(=O)c2ccc(C(N)=O)nc2)C1 1493362550 JCTBPXNFIKTKOP-ONGXEEELSA-N 315.333 -0.329 30 20 DBED CCN(C(=O)CN1CCOCC1)[C@@H]1CCN(C(=O)[C@@H](C)C#N)C1 1498808408 CHCSQJBHQRIJIA-UONOGXRCSA-N 322.409 -0.072 30 20 DBED C=CCOCC(=O)N1CC[C@H]([C@H](C)NC(=O)CNC(=O)O)C1 1573369603 WSHQRRCPUICIOL-QWRGUYRKSA-N 313.354 -0.190 30 20 DBED N#Cc1cccc(S(=O)(=O)N[C@H](CO)C(=O)O)c1Cl 1574248865 ALIYPBNUZNKVIW-SSDOTTSWSA-N 304.711 -0.065 30 20 DBED O=C(C#CC1CC1)NC[C@@]1(O)CCN(CCc2cnn[nH]2)C1 1577746319 WFEYPTVYZKDLBK-HNNXBMFYSA-N 303.366 -0.686 30 20 DBED C#C[C@@H]1COCCN1CN1C(=O)N[C@](C)(CCC(=O)O)C1=O 1588383819 LRHHNHPGFLJBQC-QMTHXVAHSA-N 309.322 -0.547 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)Nc1cnn(CC(=O)O)c1C 1588692947 NMLMUQVYHVQTCA-SECBINFHSA-N 310.310 -0.468 30 20 DBED C[C@](CO)(NS(=O)(=O)c1ccc(C#N)cc1F)C(=O)O 1592755295 DEEMUJDFEKEGLK-LLVKDONJSA-N 302.283 -0.189 30 20 DBED C[C@@](Cn1cccn1)(NS(=O)(=O)CC1(C#N)CC1)C(=O)O 1592925950 LRBZLEWZWOLXLY-NSHDSACASA-N 312.351 -0.050 30 20 DBED COC(=O)[C@H]1CC[C@@H](C(=O)O)N(C(=O)Cn2cnc(C#N)n2)C1 1598775181 SFXIXDBGFOLFOB-IUCAKERBSA-N 321.293 -0.985 30 20 DBED C#CC1(O)CCN(C(=O)NCCOCCOCC(=O)O)CC1 1602672403 MIEPGDRHOIVZSR-UHFFFAOYSA-N 314.338 -0.726 30 20 DBED C#CC[C@@H]1CCCN(c2[nH]c(=O)n(C)c(=O)c2-c2nn[nH]n2)C1 1602700194 RVPQODYJXUVEFM-SECBINFHSA-N 315.337 -0.507 30 20 DBED N#CCNC(=O)CNC(=O)Nc1ccc(-c2nn[nH]n2)c(F)c1 1606350469 XQUPNXIQSGSHJP-UHFFFAOYSA-N 318.272 -0.233 30 20 DBED N#Cc1c(-c2nn[nH]n2)nc(N)n1Cc1nc(CC2CC2)no1 1606355467 CQQOQWPDJORYBD-UHFFFAOYSA-N 312.297 -0.099 30 20 DBED N#Cc1cccnc1NCCN=c1cc[nH]c(-c2nn[nH]n2)n1 1606388835 HFBHCVZXUWRGQF-UHFFFAOYSA-N 308.309 -0.131 30 20 DBED N#Cc1ncn(CCNS(=O)(=O)[C@H]2CC[C@@H](C(=O)O)C2)n1 1608225434 WYIADPRADHHCDZ-BDAKNGLRSA-N 313.339 -0.678 30 20 DBED Cn1cc(C#N)c(=O)n(Cc2ccc(-c3nn[nH]n3)cc2)c1=O 1609478291 PCMDJEJFNCLSAD-UHFFFAOYSA-N 309.289 -0.353 30 20 DBED CC(=O)NCC[C@H]1CCCN(C(=O)Cn2cnc(C#N)n2)C1 1645796528 SUWPCDUZRFVRFH-GFCCVEGCSA-N 304.354 -0.085 30 20 DBED N#CC[C@]1(O)CCN(C(=O)N[C@@H]2CCCS(=O)(=O)C2)C1 1645862180 WAFFMJMKHHCPMX-PWSUYJOCSA-N 301.368 -0.376 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H](CNC(=O)c1cn[nH]c1)C1CC1 1752451987 QSFLGIFULLIPID-ZWNOBZJWSA-N 303.366 -0.354 30 20 DBED C[C@@H](CNC(=O)C#CC1CC1)NCC(=O)N1CCO[C@@H](C)C1 1752869724 NIGODFLQTFSANE-STQMWFEESA-N 307.394 -0.259 30 20 DBED C#CCNC(=O)[C@H](C)N(CC)CCNC(=O)Cc1[nH]cnc1C 1753093689 FRDYKMNBAVWNFI-ZDUSSCGKSA-N 319.409 -0.163 30 20 DBED C=CCN(CCNC(=O)Cn1[nH]cc2c(=O)ncnc1-2)C1CC1 1753161564 UIGWBQDRJIKLIZ-UHFFFAOYSA-N 316.365 -0.162 30 20 DBED C[C@@H](c1nnnn1C)N1CC(CNC(=O)CSCC#N)C1 1753402276 GRXKHCAIVJVTJU-VIFPVBQESA-N 309.399 -0.424 30 20 DBED C#CCOCCC(=O)NCC1CN([C@@H](C)c2nncn2C)C1 1753402963 IKFGPIHGWDNPEZ-LBPRGKRZSA-N 305.382 -0.036 30 20 DBED C#CCNC(=O)CN1CC(CNC(=O)C[C@@H](C)[C@H]2CCCO2)C1 1753414941 VOMUPYAXPQSJNK-UKRRQHHQSA-N 321.421 -0.011 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C[C@H]1CN2C(=O)C1(COC)CCC1 1753423737 WYASCMDFSNQHFT-KBPBESRZSA-N 319.405 -0.162 30 20 DBED CCn1cc(C(=O)N2C[C@@H]3C[C@H]2CN3CC#CCOC)nn1 1753425969 IAFXPILKYARMGA-STQMWFEESA-N 303.366 -0.154 30 20 DBED C=CCN[C@H](CC)CNC(=O)CN1CCS(=O)(=O)CC1 1753495156 QIJSCJVBIXDLSC-GFCCVEGCSA-N 303.428 -0.613 30 20 DBED C#CCCCC(=O)N(C)[C@@H](C)CNCCN1C(=O)CNC1=O 1753685003 JOPRFJQIHRQIBR-LBPRGKRZSA-N 308.382 -0.222 30 20 DBED C#CCNC[C@@H]1[C@H](C)CCCN1C(=O)CN1CCN(C)C(=O)C1 1753807260 KVGBINARPNBGPL-HUUCEWRRSA-N 320.437 -0.390 30 20 DBED COCC#CCNC1(CNC(=O)CCCS(C)(=O)=O)CC1 1754528602 NYTWZWMSQUJHQY-UHFFFAOYSA-N 316.423 -0.301 30 20 DBED C#CCNC(=O)CN1CC(N(C)C(=O)C[C@H](C)n2cccn2)C1 1754584198 AQDOZRHMHVVOEL-ZDUSSCGKSA-N 317.393 -0.274 30 20 DBED C=CCNC(=O)CN1C[C@H]2CN(C(=O)c3cnon3)C[C@H]2C1 1754844415 KFMZYGVDKANLGQ-PHIMTYICSA-N 305.338 -0.624 30 20 DBED C[C@H]1C[C@H](C(=O)NCC2(NCC(=O)NCC#N)CCC2)CO1 1754990999 VINUZCVIJSRLCL-RYUDHWBXSA-N 308.382 -0.320 30 20 DBED C#CCCN1CC2(CC[C@H](CNC(=O)CS(C)(=O)=O)O2)C1 1755052805 IJFIDZWCJYAPRI-GFCCVEGCSA-N 314.407 -0.596 30 20 DBED C#CCNCC1(O)CCN(C(=O)[C@@H]2CCCS2(=O)=O)CC1 1755156533 WQZSPTIQLOHGGL-LBPRGKRZSA-N 314.407 -0.860 30 20 DBED CC#CCN1CCC(CO)(NC(=O)CCc2cnn[nH]2)CC1 1755181162 MABKMRSEISQFLR-UHFFFAOYSA-N 305.382 -0.296 30 20 DBED Cc1cc(C(=O)NC2CC(CNCC(=O)NCC#N)C2)on1 1755206308 QCJHCPGUOFUSTJ-UHFFFAOYSA-N 305.338 -0.279 30 20 DBED CCn1cc(C(=O)NCC2[C@@H]3CN(CC#CCOC)C[C@@H]23)nn1 1755430859 SRKGTGHMQAQZSJ-KBPBESRZSA-N 317.393 -0.145 30 20 DBED COCC#CCN1C[C@@H]2C(CNC(=O)[C@H](COC)OC)[C@H]2C1 1755431786 MUVYUXVKGSXGNC-KFWWJZLASA-N 310.394 -0.408 30 20 DBED C#CCNC(=O)CNC[C@H]1C[C@H](NC(=O)c2cc(C)nn2C)C1 1755466148 JJYAUBOHFQSGTJ-JOCQHMNTSA-N 317.393 -0.424 30 20 DBED C#CCNC(=O)CNC[C@H]1CC[C@@H](NC(=O)c2cc[nH]n2)C1 1755728038 CDKWMMVVPFWYQX-NWDGAFQWSA-N 303.366 -0.353 30 20 DBED CNS(=O)(=O)CCC(=O)N1C[C@H](NCC#N)C(C)(C)C1 1755759013 JHCXJXQEZBXVBT-JTQLQIEISA-N 302.400 -0.724 30 20 DBED CC#CCCCC(=O)N(C)C[C@@H](C)NC(=O)c1nnn(C)n1 1756487990 VRXGDJRCZHHPSG-LLVKDONJSA-N 306.370 -0.020 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)C1CCCC1 1756529783 HOUAKAGIQFURJJ-GJZGRUSLSA-N 321.421 -0.133 30 20 DBED C=CC(C)(C)C(=O)NC[C@@H](O)CN(C)C(=O)[C@H](C)NC(C)=O 1756649071 FQHGIGHHOWQLGM-CMPLNLGQSA-N 313.398 -0.341 30 20 DBED CN(C[C@@H](O)CNC(=O)CSCC#N)C(=O)c1ccccn1 1756651600 NENWEKGXFNCJFM-NSHDSACASA-N 322.390 -0.113 30 20 DBED C=CCCC(=O)N(C)C[C@@H](O)CNC(=O)[C@]1(C)CNC(=O)C1 1756654377 ADHFCKZGFBTMJJ-NHYWBVRUSA-N 311.382 -0.586 30 20 DBED C=C(C)C[C@H](C)C(=O)N1C[C@H](O)[C@H](NC(=O)c2cnnn2C)C1 1757169600 HBJFFTFBFBNUKW-LOWVWBTDSA-N 321.381 -0.281 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CCCCN1C)CCO2 1783045890 DZQFVASEUXMUFU-WMLDXEAASA-N 319.405 -0.066 30 20 DBED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](CC)NC)C[C@@H]21 1790790485 CMXHUWDZFXVCJC-FQUUOJAGSA-N 307.394 -0.403 30 20 DBED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cnc[nH]3)C[C@@H]21 1790791768 OKIHBZVAAMJXJD-UBHSHLNASA-N 316.361 -0.435 30 20 DBED CC[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)S 1800981546 NTTOHVUBYBPCFN-HGCLJGPKSA-N 316.423 -0.335 30 20 DBED C=CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](N)CCC(N)=O)C2 1802312383 RTCGSEPNXOBSOL-RNJOBUHISA-N 322.409 -0.207 30 20 DBED O=C(C(O)O)N1CC2(CCCN2C(=O)C#Cc2ccccc2)C1 1842729469 LNSAJOPQVOUONK-UHFFFAOYSA-N 314.341 -0.448 30 20 DBED C[C@H](S)C(=O)N1CC2(CCCN2C(=O)[C@@H]2C[C@H](O)CN2)C1 1845067059 FQYYOMSDPGGRIH-DCAQKATOSA-N 313.423 -0.769 30 20 DBED C#CC(=O)N1CCCC12CN(C(=O)[C@H](C)Cn1cncn1)C2 1845959497 XNYSWRCENPEFJM-GFCCVEGCSA-N 301.350 -0.249 30 20 DBED N#CCc1ccc(OC[C@@H](O)CN2CCO[C@H](C(N)=O)C2)cc1 51581907 TYIVQHHIFFRUDS-ZFWWWQNUSA-N 319.361 -0.322 30 20 DBED N#CCCN(CCCS(N)(=O)=O)CCN1CCOCC1 81515505 GKINGUVYXHMUBZ-UHFFFAOYSA-N 304.416 -0.787 30 20 DBED C#CCN1CCC(C(=O)N2CCN(C(=O)[C@H](C)O)CC2)CC1 124100012 VPJUJKQMDYHRGA-ZDUSSCGKSA-N 307.394 -0.617 30 20 DBED COC[C@@](C)(C#N)NC(=O)Cn1nnc2ccccc2c1=O 156192293 AWNLXJFJHAAZMB-CQSZACIVSA-N 301.306 -0.164 30 20 DBED C/N=C(\NCC(=O)Nc1cccnc1)N1CCO[C@@H](COC)C1 261780288 FJJIBVWCXXTOQX-CYBMUJFWSA-N 321.381 -0.057 30 20 DBED CC(=O)NCCC/N=C(\N)N1CCN(c2ncccn2)CC1 264113358 RPVGHOMXFVBYLO-UHFFFAOYSA-N 305.386 -0.561 30 20 DBED Cn1c(NCCN2CCSCC2)c(C#N)c(=O)n(C)c1=O 264835780 VILFSXOCZJXYKR-UHFFFAOYSA-N 309.395 -0.584 30 20 DBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)CCO 270305845 XRSNUTOZWYFMTE-SNVBAGLBSA-N 311.363 -0.324 30 20 DBED N#CCCCS(=O)(=O)NCCN1C[C@@H](C(=O)O)CC1=O 275054768 XUOXDQUSTAIFIF-VIFPVBQESA-N 303.340 -0.857 30 20 DBED N#Cc1cc(S(=O)(=O)N2C[C@H](O)[C@@H](CO)C2)ccc1F 315962199 ACAXUHWMWBSMFO-SKDRFNHKSA-N 300.311 -0.329 30 20 DBED N#Cc1ccc(NCC(=O)N2CCO[C@@H](C(=O)C3CC3)C2)nc1 328672930 IOMIDQQSCBBJSC-CYBMUJFWSA-N 314.345 0.572 30 20 DBED CN1CC[C@@H]2OCCN(C/C(O)=N/CC(=O)N3CCCC3)[C@@H]2C1 329036846 RNMDCAISBBISCU-KGLIPLIRSA-N 324.425 -0.030 30 20 DBED CN1CC[C@H](/N=C(/O)N2CC(=O)N(CC(F)(F)F)C2)C1=O 330154042 XOPRVEDNZQXTMY-ZETCQYMHSA-N 308.260 -0.205 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@@H]1CN(C)CCO1 330375360 NTJHOTYIQFVXEZ-NWDGAFQWSA-N 304.416 -0.367 30 20 DBED C/N=C(/O)NCC(=O)N1CCN(C(=O)c2ccccn2)CC1 330528669 RMQZIKRQJFNMKV-UHFFFAOYSA-N 305.338 -0.501 30 20 DBED C=CCN(CC=C)C(=O)CN1CCN(S(=O)(=O)NC)CC1 330863061 WJXIEGZZSKJDSX-UHFFFAOYSA-N 316.427 -0.731 30 20 DBED CCC[C@H]1CN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CCO1 336941770 JXXGMZXUYXXLQW-RYUDHWBXSA-N 303.384 -0.044 30 20 DBED CCO[C@@H]1COCC[C@H]1NS(=O)(=O)N1CCO[C@H](C#N)C1 336942208 KIKSOXSYHZTMPR-IJLUTSLNSA-N 319.383 -0.761 30 20 DBED N#Cc1ccc(S(=O)(=O)NCC2(C(N)=O)CCOCC2)cn1 337814072 PNXGYYFMXZWVPE-UHFFFAOYSA-N 324.362 -0.486 30 20 DBED CC(=O)N[C@@H](CC(=O)N1CCc2ccc(C#N)cc21)C(N)=O 339818616 QYCHBTAUSLNUHG-LBPRGKRZSA-N 300.318 -0.173 30 20 DBED CCOC[C@@H](O)CNC(=O)C(=O)N1CCc2ccc(C#N)cc21 339835386 WVGGONRSFLVQBM-ZDUSSCGKSA-N 317.345 -0.039 30 20 DBED C=CCCOCCNC(=O)C(=O)N[C@@H]1CCC[C@H]1C(=O)NC 342002471 KEINUUOZWZTBKM-VXGBXAGGSA-N 311.382 -0.274 30 20 DBED CCOC(=O)[C@@](C)(O)CNS(=O)(=O)c1ccc(C#N)nc1 342508119 LERBYVAZCMOVRB-LBPRGKRZSA-N 313.335 -0.454 30 20 DBED COCCN1CC[C@H](NC(=O)C(=O)N2CCC(C#N)CC2)C1 343908398 JNKJENYIKQXWJF-ZDUSSCGKSA-N 308.382 -0.415 30 20 DBED N#Cc1ccc(S(=O)(=O)NCC2(C(N)=O)CCOCC2)o1 344229226 GOQQZMXDDDXZLM-UHFFFAOYSA-N 313.335 -0.288 30 20 DBED COC(=O)[C@@H](CO)NC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1 350786428 ZNXHUNSDWYDNMJ-CHWSQXEVSA-N 301.302 -0.109 30 20 DBED N#Cc1ccc(NC(=O)C(=O)NC[C@@]2(O)CCOC2)cc1F 354340184 PRNCPRDLTURDDO-AWEZNQCLSA-N 307.281 -0.097 30 20 DBED Cc1cc(NC(=O)C(=O)NC[C@H](CO)C(C)C)nn1CCC#N 357534450 IXBAFRYUNFDZED-GFCCVEGCSA-N 321.381 0.424 30 20 DBED CCS(=O)(=O)N1CCC[C@H](C(=O)N2CCOC[C@@H]2C#N)C1 408246440 MCHSSWBPIHOXPR-RYUDHWBXSA-N 315.395 -0.201 30 20 DBED CC[C@H](NS(=O)(=O)N1CCO[C@H](C#N)C1)[C@@H](O)C(C)C 416611427 CERQWSDGXSKEFU-WOPDTQHZSA-N 305.400 -0.159 30 20 DBED C[C@@H]1CN(Cc2cnc3c(C#N)cnn3c2)C[C@@H](C(N)=O)O1 514862626 DMOFFNXMDATODN-SKDRFNHKSA-N 300.322 -0.324 30 20 DBED CCN(C(=O)Cn1cc(C#N)ccc1=O)[C@@H]1CCS(=O)(=O)C1 565490646 JWXZREQYYYTIGT-GFCCVEGCSA-N 323.374 -0.244 30 20 DBED CCN(CCC#N)S(=O)(=O)NCCN1CCO[C@@H](C)C1 574533336 FDRLLPNJORGWDO-LBPRGKRZSA-N 304.416 -0.223 30 20 DBED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N[C@H]2C[C@H](O)C2)n1 595231816 KHZGHHCWTUQODH-AOOOYVTPSA-N 305.338 0.088 30 20 DBED CCN(C(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)[C@@H](C)C#N 598360302 VAWRCHQXSIXBRC-GVFGIDLGSA-N 305.334 -0.091 30 20 DBED N#Cc1ccc(NCC(=O)N(CCO)CCOCCO)nc1 600117537 WPWDHKGVIANLHW-UHFFFAOYSA-N 308.338 -0.805 30 20 DBED CN1C(=O)CC[C@@H](NC(=O)N2CCN(CCC#N)CC2)C1=O 601617209 JLRMFVKILFZMAT-LLVKDONJSA-N 307.354 -0.625 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)NCc1nnnn1C1CC1 619711166 MWXNFTQVZRGPPA-VIFPVBQESA-N 313.387 -0.176 30 20 DBED C=CCN(C(=O)CN1CCNCC1)[C@@H]1CCS(=O)(=O)C1 637943604 HCWJVQANCYTZHX-GFCCVEGCSA-N 301.412 -0.907 30 20 DBED CC[C@@H](C(=O)NCC#CCNC(=O)[C@@H](CC)N(C)C)N(C)C 681340332 GKBVULDYJJYEIN-OKILXGFUSA-N 310.442 -0.097 30 20 DBED C=C(C)CNC(=S)N1CCN(CC(=O)NCCOC)CC1 730595619 NTEARCSNOQBFMD-UHFFFAOYSA-N 314.455 -0.183 30 20 DBED C#CCN1CCC(C(=O)N2CCO[C@@H](c3nn[nH]n3)C2)CC1 735375099 SVYYTUKPFMQKRL-GFCCVEGCSA-N 304.354 -0.555 30 20 DBED CS(=O)(=O)CCNN=C1CCN(CCCC(=O)O)CC1 738153026 IFXSPUNRMDSVSX-UHFFFAOYSA-N 305.400 -0.063 30 20 DBED C#C[C@H](NC(=O)N1CCCS(=O)(=O)CC1)[C@H]1CCCO1 776226670 HDHZRGIKPCJSFI-NWDGAFQWSA-N 300.380 -0.003 30 20 DBED NS(=O)(=O)c1cc(C=NN2C(=O)CNC2=O)ccc1Cl 814892745 MIHUBIFDEZCMBF-UHFFFAOYSA-N 316.726 -0.127 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N1C[C@@H](C)[C@H](C(=O)O)C1 833377767 BCBZEWHUIGQZKF-NXEZZACHSA-N 304.368 -0.051 30 20 DBED CC1=C(C(=O)N[C@H]2CCCN(O)C2=O)[C@H](C)n2nnnc2N1C 848132145 OPBZCLSUWUAMJU-IUCAKERBSA-N 321.341 -0.546 30 20 DBED CN(C1CCOCC1)S(=O)(=O)N1CCN(CCC#N)CC1 867825842 AXQHXSUKTSUNML-UHFFFAOYSA-N 316.427 -0.127 30 20 DBED COCCn1cc(C=NN2C(=O)[C@@H]3[C@H]4C=C[C@@H](O4)[C@@H]3C2=O)cn1 872426131 YFOOELIZOKKVAU-LPWJVIDDSA-N 316.317 -0.198 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)NC[C@@H]1CC(=O)N(CC)C1 875440528 FLRMKRUNXGSXSR-STQMWFEESA-N 323.393 -0.484 30 20 DBED C#CCN1CCC[C@@H](NC(=O)NCCNS(=O)(=O)CC)C1 884129085 XCWFALFXMAMEEF-GFCCVEGCSA-N 316.427 -0.678 30 20 DBED C#CCN1CCC[C@@H](NC(=O)N2CCN3CCOC[C@@H]3C2)C1 890366810 FFXLBFFAYPWGBG-CABCVRRESA-N 306.410 -0.190 30 20 DBED C#CC1(O)CN(C(=O)[C@H](C)S(=O)(=O)C2CCOCC2)C1 890522717 PGMXGOQUTSGZOX-JTQLQIEISA-N 301.364 -0.825 30 20 DBED C#CC1(O)CN(C(=O)[C@@H](C)S(=O)(=O)C2CCOCC2)C1 890522721 PGMXGOQUTSGZOX-SNVBAGLBSA-N 301.364 -0.825 30 20 DBED C#CC1(O)CN([C@H](C)C(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)C1 934441799 USLYEYLZLAAMLF-VXGBXAGGSA-N 314.407 -0.910 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@@H]2CCCO2)C1 937649281 BTYCFBJRQDCJHV-KKUMJFAQSA-N 319.405 -0.020 30 20 DBED CCN1C[C@@H](C(=O)N[C@H]2CCN(C(=O)C#CC3CC3)C2)CC1=O 938092401 RAQOTWSXVDZGSM-KBPBESRZSA-N 317.389 -0.015 30 20 DBED COc1c(C(=O)N[C@H]2CCN(C(=O)[C@H](C)C#N)C2)cnn1C 938390137 MMDWIKFRWUKPSU-ZJUUUORDSA-N 305.338 -0.081 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 941233930 KSZXUNLQKLVDDI-ZJUUUORDSA-N 322.365 -0.486 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CN2CCNC(=O)C2)[C@H](C)C1 942560393 PIEAGAOMXXZTGR-ZIAGYGMSSA-N 306.410 -0.732 30 20 DBED C=CC(C)(C)C(=O)N1CCO[C@H](CNC(=O)c2nc[nH]n2)C1 944716868 JGLPCZMEPYBBNR-SNVBAGLBSA-N 307.354 -0.026 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@H]3CN(C(=O)C(N)=O)CC[C@H]32)c1 946026641 ZSOWDECHRZONIW-CMPLNLGQSA-N 315.333 -0.565 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(NC(=O)CN2CCOCC2)CC1 948096973 VBXAYNZGGJWPNO-LBPRGKRZSA-N 308.382 -0.415 30 20 DBED CN1C[C@@H](C(=O)N2CCOC3(CCN(CC#N)CC3)C2)CC1=O 949104813 MPVHIKGTZWIEMS-ZDUSSCGKSA-N 320.393 -0.318 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@H]2CNC(=O)c2cnn[nH]2)cn1 950994610 FFMIWPCBZXCJGZ-LBPRGKRZSA-N 310.317 -0.175 30 20 DBED C=C1CC(C)(C(=O)N2CC(N(C)C(=O)Cn3ncnn3)C2)C1 954355003 HCMZSDUMVZOMOW-UHFFFAOYSA-N 304.354 -0.301 30 20 DBED C#Cc1ccc(C(=O)N2CC(N(C)C(=O)c3cnn[nH]3)C2)nc1 954727327 KPMDWBUTELXSAV-UHFFFAOYSA-N 310.317 -0.222 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CN(C(=O)C2(C(N)=O)CC2)C1 955365132 DCLDQBCOVMORGJ-NEPJUHHUSA-N 321.377 -0.488 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2CCCN2C(=O)CC(N)=O)nc1 955937031 SYXXDBWVMQXJOY-LBPRGKRZSA-N 314.345 -0.341 30 20 DBED O=C1NCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)C#CC1CC1 956002923 QVTWPGVAZDRDNU-QWHCGFSZSA-N 303.362 -0.357 30 20 DBED CC#CCN1C[C@H](O)[C@H](CNC(=O)c2ccc(C(N)=O)o2)C1 958240035 XNPSNDXBNNMZQS-MNOVXSKESA-N 305.334 -0.576 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2cc3n(n2)CCCO3)C1 958254735 ROSHPXKYRGHYMN-DGCLKSJQSA-N 304.350 -0.679 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](NC(=O)c2cnc(O)n2C)[C@H](C)C1 958382955 WBWAHIPEDPJBND-OPRDCNLKSA-N 305.338 -0.138 30 20 DBED N#CCN1C[C@@H](O)[C@H](CNC(=O)c2ncc3n2CCCC3)C1 958712899 CILZFPMQNVZAMI-DGCLKSJQSA-N 303.366 -0.235 30 20 DBED C#CCCN1C[C@H]2[C@H](NC(=O)C3CCN(C(N)=O)CC3)[C@H]2C1 962513566 XGTHLWWKVODXAX-WDNDVIMCSA-N 304.394 -0.153 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@H]3[C@@H]2CCCN3C(=O)C(N)=O)c1 963506434 BMNSRLWCXHCJNB-RYUDHWBXSA-N 315.333 -0.423 30 20 DBED O=C1NC[C@@H](C(=O)NC[C@H]2CCCCN2C(=O)C#CC2CC2)N1 964495670 AIGIKLYNLNTFDB-OLZOCXBDSA-N 318.377 -0.422 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H](C)C1CN(CC(=O)NC)C1 969864603 DZJSEICODFZLHG-OCCSQVGLSA-N 306.410 -0.734 30 20 DBED C#CCN1CC([C@H](C)NC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1 970420303 NYBMDYSDYOMPPJ-YUTCNCBUSA-N 307.394 -0.308 30 20 DBED CN(Cc1nnn(C)n1)[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 971291293 HXWBMIWWYIAHLB-LLVKDONJSA-N 314.353 -0.244 30 20 DBED C=C(C)CN1C[C@H]2CC[C@H]1CN2C(=O)c1cn(CC(N)=O)nn1 972145923 YWWZNNUYVMFQHE-NWDGAFQWSA-N 318.381 -0.372 30 20 DBED C#CCCN1CCO[C@]2(CCN(C(=O)[C@]3(C)CCC(=O)N3)C2)C1 972539021 BWWLQDRPHGUJPF-DLBZAZTESA-N 319.405 -0.018 30 20 DBED C#CCN1C[C@@H]2C(CNC(=O)c3cc(=O)c(OC)c[nH]3)[C@H]2C1 978474313 XVQQZHUKMSYGNA-VXGBXAGGSA-N 301.346 -0.076 30 20 DBED N#CCN1C[C@@H]2C(CNC(=O)c3cnn4c(=O)cc[nH]c34)[C@H]2C1 978833223 PEWDZJXOZGJSBF-VXGBXAGGSA-N 312.333 -0.546 30 20 DBED C=CCN1C[C@@H]2C(CNC(=O)[C@H]3COCCN3C(C)=O)[C@H]2C1 979092464 POWJSWIYLXVOCC-RBSFLKMASA-N 307.394 -0.286 30 20 DBED C#CCN1CCC(C(=O)N2CC(NC(=O)c3ccon3)C2)CC1 990364451 NSLWINUGLSKEHZ-UHFFFAOYSA-N 316.361 -0.040 30 20 DBED Cc1nc(O)[nH]c1C(=O)N1CC(NC(=O)c2cc(C#N)c[nH]2)C1 990708526 JTHBZGLPCSFJOP-UHFFFAOYSA-N 314.305 -0.122 30 20 DBED C=CCN[C@@H]1CCC[C@H]2CN(C(=O)CN3CC(=O)NC3=O)C[C@H]21 992865189 XGAHWBAMAPXKBP-YNEHKIRRSA-N 320.393 -0.059 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](C)[C@H](CNC(=O)c2cnn(C)c2N)C1 993918380 GJNNKSGJAZDOGT-HBNTYKKESA-N 318.381 -0.014 30 20 DBED CC(=O)N1CC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H](C)C#N)C1 996170264 YVJXZJKTYFWJMT-QQUHWDOBSA-N 318.377 -0.128 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)Cn2ncc3cccnc32)C1 996988777 XHVIYUTZRRDMOY-JTQLQIEISA-N 312.333 -0.082 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC(NC(=O)c2ccncn2)C1 998205985 QUPQIARDTXLLGJ-AWEZNQCLSA-N 313.361 -0.485 30 20 DBED N#CCN[C@H]1CCCN(C(=O)[C@H]2CCc3nnnn3CC2)C1 1000251772 RXLWTNUGQGRPIJ-RYUDHWBXSA-N 303.370 -0.270 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@H]1CCCN1C(=O)C(N)=O 1002923683 PMIBSFVNOKDFIA-AGIUHOORSA-N 323.393 -0.098 30 20 DBED C#CCN1CCC(N(C)C(=O)c2cn(C)c(=O)n(C)c2=O)CC1 1006087090 LGINHVNVNQUHEV-UHFFFAOYSA-N 318.377 -0.746 30 20 DBED C=CC(C)(C)C(=O)N1CCN(C(=O)CN2CC(=O)NC2=O)CC1 1011910300 MHHYLLLGOAJFKD-UHFFFAOYSA-N 322.365 -0.579 30 20 DBED CCn1ncc(C(=O)NC2[C@@H]3CN(C(=O)[C@H](C)C#N)C[C@@H]23)n1 1013053820 IHFUPEBVJQUZDT-OPRDCNLKSA-N 302.338 -0.356 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NCc2nncn2C)C1 1022220486 GLZCJCDJTQPTQX-MJBXVCDLSA-N 316.409 -0.351 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccccc2O)C1 1023080221 RXILBWVTXAHXGZ-IRUJWGPZSA-N 303.318 -0.147 30 20 DBED C=CCOc1cccnc1C(=O)N[C@@H]1CN(C(C)=O)C[C@H]1O 1025741833 KIXVKQOPBZGIAW-VXGBXAGGSA-N 305.334 -0.032 30 20 DBED CN(Cc1nc(=O)n(C)[nH]1)[C@@H]1CCCN(C(=O)C#CC2CC2)C1 1027405153 CQFHNDYBDUQURU-CYBMUJFWSA-N 317.393 -0.055 30 20 DBED C=C(C)CCN1CC(NC(=O)[C@@H]2CCN(C)S2(=O)=O)C1 1031085490 PTHVXXHSDWIAML-LBPRGKRZSA-N 301.412 -0.213 30 20 DBED CC(=O)Nc1ccc(C(=O)NC[C@@H]2CN(CC#N)CCO2)nc1 1035392406 VRGQQQQPHIABQG-CYBMUJFWSA-N 317.349 -0.006 30 20 DBED C=CCCC(=O)N1CC[C@@](O)(CNC(=O)Cc2nc[nH]n2)C1 1040969095 SYVWPJBRNTXELX-CQSZACIVSA-N 307.354 -0.607 30 20 DBED Cn1cnc(C(=O)N[C@@H]2CN(c3ccc(C#N)nn3)C[C@H]2O)c1 1040986774 ADRCRDKIDVJNNS-ZYHUDNBSSA-N 313.321 -0.939 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(O)(CNC(=O)c2ccncc2)C1 1041172124 UVMSJADSWFAHQH-HNNXBMFYSA-N 319.361 -0.288 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CC(=O)N(C)C2)C1 1041969114 DUKUHKQVSXJFBF-LLVKDONJSA-N 309.366 -0.880 30 20 DBED C#CCN1CC[C@H]2CCN(C(=O)CN3C(=O)CNC3=O)C[C@H]21 1042346431 UFWQWAGRCNLGPV-NWDGAFQWSA-N 304.350 -0.906 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(O)CN(C(=O)CCOCC)C1 1042805958 AXOKGIADDIJZKQ-CQSZACIVSA-N 314.382 -0.570 30 20 DBED CN(C)CCCC(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042961367 VQXGJEYWTBALNX-UHFFFAOYSA-N 307.394 -0.569 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)[C@H](F)C(C)C)C1 1043043693 OJZZOMWIXDQXNN-NWDGAFQWSA-N 314.357 -0.292 30 20 DBED CCCN1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@@H](C)C#N)C1 1043416254 VGJHEZLVLUXZCL-STQMWFEESA-N 322.409 -0.290 30 20 DBED C=CCCOCC(=O)NCC1(O)CN(C(=O)c2ncc[nH]2)C1 1043569516 XLBLGFRVLHMSSE-UHFFFAOYSA-N 308.338 -0.695 30 20 DBED N#Cc1ccc(C(=O)N2CCC[C@H]2CN[C@@H]2CCNC2=O)[nH]1 1044999585 FOUKSUTVCVZRFG-NWDGAFQWSA-N 301.350 -0.031 30 20 DBED CC#CCCCC(=O)NCC1(O)CN(C(=O)[C@H]2CCN(C)C2)C1 1045003646 ZYCYIEBMARGLHT-AWEZNQCLSA-N 321.421 -0.179 30 20 DBED C=CCC1(C(=O)N2CC(O)(CNC(=O)C(N)=O)C2)CCCC1 1045510131 YAHQLMUIMBNLNJ-UHFFFAOYSA-N 309.366 -0.702 30 20 DBED CCn1cc(C(=O)N2CC(O)(CNC(=O)[C@H](C)C#N)C2)cn1 1045540223 FEDCWORBROOINW-SNVBAGLBSA-N 305.338 -0.634 30 20 DBED Cc1[nH]nc(C(=O)N2CC(O)(CNC(=O)[C@H](C)C#N)C2)c1C 1045541100 QPUYRNQKIJGGIB-MRVPVSSYSA-N 305.338 -0.511 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)[C@H]1CN(C[C@@H](C)OC)C[C@@H]1O 1047415229 OIACESFLJRXNGA-UGUYLWEFSA-N 323.437 -0.378 30 20 DBED C=CCCCC(=O)N(C)[C@H]1CN(C(=O)Cn2cncn2)C[C@@H]1O 1049361215 SGTQDDAIGHVROB-STQMWFEESA-N 321.381 -0.336 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)c2cnccn2)C[C@@H]1O 1049388621 NPTQTZQVTQSOQP-DLOVCJGASA-N 303.322 -0.720 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)c2cnsn2)C[C@@H]1O 1049388768 QKGHRFSUPURLAR-JEZHCXPESA-N 309.351 -0.659 30 20 DBED C=CCOCC(=O)N[C@H](C)[C@H]1CCN(C(=O)Cn2cnnn2)C1 1049968469 MKCGRPPNZNKMSV-NEPJUHHUSA-N 322.369 -0.771 30 20 DBED C#CCOCCC(=O)N[C@H](C)[C@@H]1CCN(C(=O)CNC(N)=O)C1 1049990551 OTEWQWZUYQPVQK-VXGBXAGGSA-N 324.381 -0.952 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2COCCN2C[C@@H](C)O)cn1 1051211750 HEGVUJXCBIFWIY-IUODEOHRSA-N 303.362 -0.126 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H](CNCc2ncnn2CCF)C1 1051495658 WGWFGZCOKAQMAM-NEPJUHHUSA-N 324.360 -0.276 30 20 DBED Cc1nc(CNC[C@@H]2CN(C(=O)C#CC3CC3)CCO2)n[nH]1 1051609480 UFPKXXPJLCFAQS-CYBMUJFWSA-N 303.366 -0.156 30 20 DBED C=CCCN1CC2(C1)CN(C(=O)CS(C)(=O)=O)CCO2 1053179039 RIFWHDXPPAQMRD-UHFFFAOYSA-N 302.396 -0.480 30 20 DBED C=CCN1CC2(C1)CN(C(=O)[C@@H]1CCC(=O)N(C)C1)CCO2 1053542288 BSAXKFKYKMHWEH-CYBMUJFWSA-N 307.394 -0.046 30 20 DBED CC#CCN1CC2(CC[C@@H](CNC(=O)c3cnnn3C)O2)C1 1053598031 NRMWKYLAOBNOKA-LBPRGKRZSA-N 303.366 -0.198 30 20 DBED C#CCN[C@@H]1CN(C(=O)Cn2nc3ccccn3c2=O)C[C@@H]1C 1054951353 LZZMUJHOXQQRJH-QWHCGFSZSA-N 313.361 -0.434 30 20 DBED CC#CCCCC(=O)N[C@]1(CO)CCCN(C(=O)C(N)=O)C1 1056058436 HHJQHZPKGRDSRK-OAHLLOKOSA-N 309.366 -0.865 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)c1nccc(C)n1 1057193655 NLMJXYGDQLLRHD-UHFFFAOYSA-N 322.365 -0.462 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCN(CCO)C(=O)[C@H]1CC1(F)F 1057503213 FUWINIPRKSPFHH-ZWNOBZJWSA-N 320.336 -0.094 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)[C@]1(C)CNC(=O)C1 1058131847 YIYBKOHBJLXWDZ-INIZCTEOSA-N 323.393 -0.747 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 1058223290 LKQATTNRHDARAL-ZOBORPQBSA-N 323.393 -0.102 30 20 DBED C#Cc1ccc(C(=O)N(CCO)CCNC(=O)C(F)F)nc1 1058238576 JPABRJOPNYUMHE-UHFFFAOYSA-N 311.288 -0.121 30 20 DBED C=CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)c1c[nH]nc1C 1058270936 ZVBVOPWTICSDCN-LBPRGKRZSA-N 324.381 -0.140 30 20 DBED N#Cc1ccc(N2CC[C@H](NC(=O)[C@H]3COCCO3)C2)nn1 1058304600 GHAQWSUGAJDQHO-NWDGAFQWSA-N 303.322 -0.541 30 20 DBED C#CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)[C@@H](F)CC 1058386512 LEWLWLPFLDBIAA-RYUDHWBXSA-N 302.346 -0.290 30 20 DBED N#Cc1nccnc1N1CC[C@@H](NC(=O)c2cnnc(O)c2)C1 1058473386 WHIASJHKNUTEMP-SNVBAGLBSA-N 311.305 -0.147 30 20 DBED C[C@@]1(C(=O)N[C@@H]2CCN(c3ccnc(C#N)n3)C2)CNC(=O)C1 1058493826 DNEBNIVPMXRPEW-BMIGLBTASA-N 314.349 -0.431 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)[C@@]1(C)CCNC1=O 1058839302 XHCUANOIOLQLLP-HNNXBMFYSA-N 311.382 -0.584 30 20 DBED CNC(=O)NCCC(=O)NCC[C@H]1CCN(C(=O)[C@@H](C)C#N)C1 1060289849 TUNGADVDLSINAN-RYUDHWBXSA-N 323.397 -0.180 30 20 DBED C=CCOCC(=O)N1CCOC[C@H]1CNC(=O)c1ccnn1C 1061391713 GHPSAWNIGQPNQV-GFCCVEGCSA-N 322.365 -0.420 30 20 DBED C=CCCC(=O)N1CCOC[C@H]1CNC(=O)c1nccnc1N 1061433137 FDTSFRVOOWWIMO-LLVKDONJSA-N 319.365 -0.018 30 20 DBED N#Cc1nccnc1N1CC[C@@H](CNC(=O)[C@@H]2CCNC2=O)C1 1061695645 UIIWJQDNSKHPBN-WDEREUQCSA-N 314.349 -0.573 30 20 DBED Cc1ccn(CC(=O)NC[C@H]2COCCN2C(=O)[C@H](C)C#N)n1 1061912302 UYJUKAKZQLJYNA-YPMHNXCESA-N 319.365 -0.305 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCCC[C@@H]1CNC(=O)CC(N)=O 1062258427 VOGZOTZYMUHFKM-NWDGAFQWSA-N 311.382 -0.050 30 20 DBED N#Cc1nccc(N2CCO[C@H](CNC(=O)c3cc[nH]n3)C2)n1 1063611604 WVQHXAONTIPSEC-SNVBAGLBSA-N 313.321 -0.293 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@H]1CN(C(=O)c2cnco2)CCO1 1065386649 ZBIGOJJCVYUNMB-XHDPSFHLSA-N 323.349 -0.041 30 20 DBED C[C@H](NC(N)=O)C(=O)N(C)CCCN(C)C(=O)C#CC1CC1 1067267863 ADHUNFCDHZQNHK-NSHDSACASA-N 308.382 -0.237 30 20 DBED C=CCCC(=O)N1CCOC2(C1)CN(C(=O)[C@H](C)CC(N)=O)C2 1068344699 QNRXWQRSQQPOKC-GFCCVEGCSA-N 323.393 -0.096 30 20 DBED C[C@@H]1C[C@H](CN=c2cc[nH]c(C#N)n2)CN1C(=O)c1cnn[nH]1 1068382590 AVVYUKULFOHPKX-NXEZZACHSA-N 312.337 -0.149 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC2(C[C@@H](NC(=O)COC)CO2)C1 1068652892 UJTSPMIXCOCEGF-RISCZKNCSA-N 312.366 -0.554 30 20 DBED N#Cc1ccc(N2CC[C@@]3(NC(=O)C(N)=O)CCC[C@H]23)nn1 1069282173 ISPVFMPDIODCMT-HZMBPMFUSA-N 300.322 -0.549 30 20 DBED C=CCN[C@@H]1CN(C(=O)c2cn(C)cn2)C[C@@H]1n1ccnn1 1070176681 NHZHOPWLGBQWES-YPMHNXCESA-N 301.354 -0.147 30 20 DBED Cn1cnc([C@@H]2CN(C(=O)c3ccnnc3)C[C@H]2NCC#N)c1 1070538197 HESKJIGDXXZAAU-GXTWGEPZSA-N 311.349 -0.069 30 20 DBED Cn1cncc1[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2)C[C@H]1NCC#N 1070630372 NVYQHISQSBGFEO-IJLUTSLNSA-N 316.365 -0.894 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@@H](NC(=O)COCC=C)C1 1070635964 CTBWJKVRZSFBSJ-CYBMUJFWSA-N 321.377 -0.564 30 20 DBED Cn1cncc1C(=O)N1C[C@@H](NCC#N)[C@H](c2cncn2C)C1 1070664418 POPRTALSBCLEDG-VXGBXAGGSA-N 313.365 -0.125 30 20 DBED N#CCN1C[C@H]2C[C@H]3CN(C(=O)CN4CCOCC4)C[C@@]3(C1)O2 1070786803 OJCBAASTZZPVBF-SQWLQELKSA-N 320.393 -0.856 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)C2=COCCO2)CC1 1070936611 OJEQTHXSNWRYMO-UHFFFAOYSA-N 307.350 -0.842 30 20 DBED CC(C)C#CC(=O)N[C@H]1CN(C(=O)Cn2ncnn2)C[C@H]1C 1072165517 OYPKBUWVUOKLPT-NEPJUHHUSA-N 304.354 -0.704 30 20 DBED C#CCOCCC(=O)N1CC[C@H](NC(=O)CC(N)=O)[C@@H](C)C1 1073850159 XPSOLSKKVKPLCB-RYUDHWBXSA-N 309.366 -0.745 30 20 DBED C=C(C)CN[C@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)[C@H]1C 1075115536 FYSXESFLHBTDLY-SDDRHHMPSA-N 301.412 -0.167 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)c2nnc3ccccc3n2)C1 1077397321 VYFPLEHMEOHKJB-ZIAGYGMSSA-N 311.345 -0.177 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)c2c[nH]nc2-c2cnn(C)c2)C1 1077981405 MUSYEMGXCYGRCU-CHWSQXEVSA-N 316.365 -0.229 30 20 DBED C=CCCCC(=O)NCC[C@H](C)NC(=O)CN1CCNC(=O)C1 1078099566 PCBRXXGJJQMJIK-ZDUSSCGKSA-N 324.425 -0.215 30 20 DBED CN1CCN(CC(=O)N[C@H]2C[C@H](NCC#N)C23CCC3)CC1=O 1078663731 SFHIFOGGFOACEN-STQMWFEESA-N 319.409 -0.699 30 20 DBED C=CCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)C2(C(N)=O)CC2)C1 1079981374 PKHZJPUVSMMIES-NSHDSACASA-N 323.393 -0.098 30 20 DBED CO[C@H](C)C(=O)N1CCC(CO)(NC(=O)C#CC2CC2)CC1 1080853347 ULFDANJWLWREPY-GFCCVEGCSA-N 308.378 -0.096 30 20 DBED O=C(COCC1CC1)NC[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 1081297688 OEFPYOJXNSWYAP-GJZGRUSLSA-N 320.389 -0.238 30 20 DBED C=CCCOCC(=O)NC[C@@H]1CN(C(=O)c2ncc[nH]2)C[C@@H]1O 1081569105 KPQNXNIHHMAUPU-NEPJUHHUSA-N 322.365 -0.449 30 20 DBED C#CCOCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)CCCF)C1 1081662798 FIYVZQWJJQHGHN-CHWSQXEVSA-N 314.357 -0.289 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1cc(C(N)=O)cn1C 1081897439 XTRWCYBOBMZNJI-ZYHUDNBSSA-N 305.338 -0.923 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2csc(-c3ncc[nH]3)n2)C1 1083656207 HLVMQLJJKAQTMY-KOLCDFICSA-N 317.374 -0.059 30 20 DBED N#Cc1ccc(N2CCCO[C@H](CNC(=O)CC(N)=O)C2)nc1 1089532505 QWWWZBRWPAHWDG-GFCCVEGCSA-N 317.349 -0.460 30 20 DBED C=CCn1cccc1C(=O)N[C@@H]1CCN(CC(N)=O)C[C@H]1O 1090322865 LUAFNCOAMPWDMA-DGCLKSJQSA-N 306.366 -0.676 30 20 DBED C=CCCN1CC[C@H](NC(=O)Cn2ccc(O)nc2=O)[C@@H](O)C1 1090404967 VYNKMDBDGGMGPA-RYUDHWBXSA-N 322.365 -0.924 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(c2nccnc2F)C[C@H]1O 1090407885 FKPVKNFSDBOVGN-RULNRJAQSA-N 310.329 -0.392 30 20 DBED C#CCN1CC[C@H](NC(=O)Cc2cn(C)nc2Cl)[C@@H](O)C1 1090568681 HTICADXKXUDPQO-RYUDHWBXSA-N 310.785 -0.199 30 20 DBED CC#CCN1CC[C@H](NC(=O)C(C)(C)N2CCOCC2)[C@@H](O)C1 1090641414 PFWPROPLVIRGDX-GJZGRUSLSA-N 323.437 -0.328 30 20 DBED CC#CCN1CC[C@@H](NC(=O)Cn2c(C)csc2=O)[C@@H](O)C1 1090795925 MKICYXKTVPMVPA-OLZOCXBDSA-N 323.418 -0.207 30 20 DBED C=CCN1CC[C@@H](NC(=O)c2cccc(C(N)=O)n2)[C@@H](O)C1 1090839883 SMWWCNREXVLTTA-MFKMUULPSA-N 304.350 -0.469 30 20 DBED CC[C@@H](C(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@@H]1O)N(C)C 1091124677 YNZMQFCVSJGANC-RDBSUJKOSA-N 317.393 -0.041 30 20 DBED CS(=O)(=O)CC(=O)N[C@H]1[C@@H]2CN(c3ccncc3C#N)C[C@@H]21 1093225804 KIIZHLAXDYDXMH-YABSGUDNSA-N 320.374 -0.451 30 20 DBED N#Cc1cccnc1NCCNC(=O)CN1CCC(=O)NC1=O 1093858732 AMNZOGCNGCQSNU-UHFFFAOYSA-N 316.321 -0.577 30 20 DBED C[C@H]1C[C@H](C(=O)NCCNc2ccc(C#N)nn2)CC(=O)N1 1093983149 SCARMYGHYBQTJE-UWVGGRQHSA-N 302.338 -0.209 30 20 DBED N#Cc1ccc(NCCNC(=O)[C@H]2CCCN(C(N)=O)C2)nn1 1093992986 WVZVCYYEROBPEI-JTQLQIEISA-N 317.353 -0.333 30 20 DBED N#Cc1ccc(NCCCNC(=O)CCN2CCOCC2)nn1 1094492221 DMHKVCJVIFINCA-UHFFFAOYSA-N 318.381 -0.011 30 20 DBED N#Cc1ccc(NCCCNC(=O)Cn2c(O)nnc2O)cn1 1094527374 FOTTVFUEXBRSIP-UHFFFAOYSA-N 317.309 -0.426 30 20 DBED Cc1cc(=NCCCNC(=O)[C@@H]2CN(C)C(=O)N2)c(C#N)c[nH]1 1094709147 KMJMSLIPFFBYLF-ZDUSSCGKSA-N 316.365 -0.375 30 20 DBED CC(=O)N(C)CC(=O)N1CC[C@@H](Nc2ccc(C#N)nn2)C1 1095020033 MFCHRFOQYROMED-GFCCVEGCSA-N 302.338 -0.161 30 20 DBED CC(=O)N[C@H](C)C(=O)N1CC[C@@H](N(C)c2ccnc(C#N)n2)C1 1095090606 RSOFFRIRLJUKAL-ZYHUDNBSSA-N 316.365 -0.090 30 20 DBED C[C@H](CC(N)=O)C(=O)N1CCC[C@H](N=c2cc[nH]c(C#N)n2)C1 1095319999 BLRXBMLIIYGLOY-MNOVXSKESA-N 316.365 -0.315 30 20 DBED CN1C[C@@H](C(=O)NCCCN(C)c2cnc(C#N)cn2)CC1=O 1095761751 NPSJAZIXUMCRND-NSHDSACASA-N 316.365 -0.231 30 20 DBED C[C@H](NC(N)=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)nn2)C1 1096160600 AXKCTGIVHQPMDX-ONGXEEELSA-N 317.353 -0.510 30 20 DBED CC(=O)N(C)CC(=O)NC[C@H](N=c1cc[nH]c(C#N)n1)C1CC1 1096584599 DSNDQUYGPZXLMM-LBPRGKRZSA-N 316.365 -0.445 30 20 DBED C[C@@H](CC(N)=O)C(=O)N[C@H]1C[C@H](Nc2ccc(C#N)nn2)C1 1097086617 SAYNCCXYWVUJDV-LSJOCFKGSA-N 302.338 -0.081 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCC(N(CCO)CCO)CC1 1098353881 DJXSXQCFDXUMIV-OAHLLOKOSA-N 300.399 -0.409 30 20 DBED N#Cc1ccc(NC[C@H]2CCN(C(=O)CNC(N)=O)C2)nn1 1098501050 QEIIPQNQSWSEMC-SECBINFHSA-N 303.326 -0.723 30 20 DBED CCN1CCO[C@H](C(=O)N2CCC(N(CC#N)CCO)CC2)C1 1098566920 VOASVOZZHNFCBY-HNNXBMFYSA-N 324.425 -0.484 30 20 DBED C#CCCCCC(=O)N[C@@H]1CCN(CCOCCO)C[C@@H]1O 1099787305 VTIWDGSIEVURPE-CABCVRRESA-N 312.410 -0.260 30 20 DBED N#Cc1cncc(N2CCC[C@H]2CCCNC(=O)C(N)=O)n1 1099875712 KGMMKGQBQNSAIY-LLVKDONJSA-N 302.338 -0.301 30 20 DBED Cc1[nH]nc(C(=O)NCCN(C)c2ccc(C#N)nn2)c1O 1100014480 MJDDTFSSGNTXRT-UHFFFAOYSA-N 301.310 -0.048 30 20 DBED CCC(CC)C(=O)NCC(=O)N[C@H]1CCN(CC#N)C[C@H]1O 1100148551 JWIQTXVBTIVBDB-QWHCGFSZSA-N 310.398 -0.386 30 20 DBED CN(CCNC(=O)[C@@]1(C)CCNC(=O)C1)c1ccc(C#N)nn1 1100398470 IYWCHVPFZPRIDV-HNNXBMFYSA-N 316.365 -0.183 30 20 DBED C#CCNC(=O)[C@H](C)NC1CC(CNC(=O)C(C)(C)C(N)=O)C1 1100426607 QPHOVMPNWLSOAH-UNXYVOJBSA-N 322.409 -0.880 30 20 DBED CC(=O)N(C)CC(=O)NC[C@@H]1CCN(c2cnc(C#N)cn2)C1 1100960442 ZRBUQFPFWBBUKI-LBPRGKRZSA-N 316.365 -0.231 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)CS(C)(=O)=O)c3nccn32)C1 1101612442 WVYCCBHVVKMNHJ-LLVKDONJSA-N 322.390 -0.867 30 20 DBED C=CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)[C@H](O)C(C)C)C1 1101936039 ZQSFLZBYRJEINK-UMVBOHGHSA-N 311.426 -0.010 30 20 DBED C[C@@H]1CN(C(=O)[C@@H]2CCCO2)C[C@H]1CCNCC(=O)NCC#N 1103853211 XYHIAWMSHACGOY-MCIONIFRSA-N 322.409 -0.121 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](C)[C@H](CCNCc2nc(=O)n(C)[nH]2)C1 1104004584 FQFSYIUEKIFTLR-QJPTWQEYSA-N 320.397 -0.158 30 20 DBED Cn1cccc1C(=O)NC[C@H](O)CNc1cnc(C#N)cn1 1105755015 OKVGJXLCLNWQAA-LLVKDONJSA-N 300.322 -0.110 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H](O)CNC(=O)[C@]1(F)CCOC1 1106073363 SVLUHVWUXWNZGL-FZMZJTMJSA-N 308.313 -0.607 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)CN1CCOCC1 1106723584 QXUJPPBEXAWVBU-UHFFFAOYSA-N 318.381 -0.637 30 20 DBED C=CCNC(=O)CNC[C@@H]1CN(C(=O)c2cnon2)C[C@H]1C 1106783335 MXIJJZKVJBEDQL-GHMZBOCLSA-N 307.354 -0.331 30 20 DBED C#CCN1CC(n2cc(CNC(=O)CCC(=O)NCC)nn2)C1 1107144560 UZBYPPIYTZJMNM-UHFFFAOYSA-N 318.381 -0.700 30 20 DBED Cc1nnc(CC(=O)NC/C=C\CN=c2cc[nH]c(C#N)n2)o1 1107151550 NTJWXVSMMZVIFN-IHWYPQMZSA-N 313.321 -0.211 30 20 DBED C=CCCCN1CCO[C@@](C)(CNC(=O)Cn2ncnn2)C1 1107947440 KBMBNTCENKHXBR-AWEZNQCLSA-N 308.386 -0.154 30 20 DBED CC#CCN1CCO[C@](C)(CNC(=O)[C@@H]2CCC(=O)NC2)C1 1108043162 FFWKBPKTIOGMJG-CZUORRHYSA-N 307.394 -0.257 30 20 DBED C[C@@H](CNc1ccc(C#N)nn1)NC(=O)C[C@@H]1CC(=O)NC1=O 1108435433 APZAYNCCIXNFHZ-DTWKUNHWSA-N 316.321 -0.682 30 20 DBED CC#CCN1CCO[C@](C)(CNC(=O)C[C@H]2CC(=O)NC2=O)C1 1108446873 MGQDJAOUKFBVLS-BLLLJJGKSA-N 321.377 -0.730 30 20 DBED CO[C@@H](C)CCC(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1 1108536651 HOPODJRYCIWYCM-NWDGAFQWSA-N 308.382 -0.274 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)CN(CC)CC)CC2=O)C1 1108581150 JJSQSKKAECAUSY-CYBMUJFWSA-N 308.426 -0.085 30 20 DBED C[C@H](CN(C)c1cncc(C#N)n1)NC(=O)[C@@H]1CN(C)CCO1 1108905990 UMOOKBARQICVLB-YPMHNXCESA-N 318.381 -0.380 30 20 DBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cn1cccn1 1108924675 SCGNQOBDGGDWFM-AGIUHOORSA-N 316.365 -0.756 30 20 DBED C[C@@H](CN(C)c1nccnc1C#N)NC(=O)C[C@@H]1CCNC1=O 1109114783 OUHPZBXAWIURJF-QWRGUYRKSA-N 316.365 -0.185 30 20 DBED CC(=O)NCC(=O)N[C@H]1[C@H]2C[C@H]1N(c1nccnc1C#N)C2 1109671050 RPGUQGSAHXFGHL-NDMJEZRESA-N 300.322 -0.822 30 20 DBED CN1CCO[C@H](C(=O)NCC2(Nc3cnc(C#N)cn3)CC2)C1 1110090872 NRMYAIDIWYEZAI-LBPRGKRZSA-N 316.365 -0.260 30 20 DBED C[C@]1(NC(=O)CNC(N)=O)CCN(c2cncc(C#N)n2)C1 1110708689 IXUZTLPHICYYJF-ZDUSSCGKSA-N 303.326 -0.898 30 20 DBED N#Cc1ccc(N2CC[C@@](O)(CNC(=O)c3cn[nH]c3)C2)nn1 1111050109 HKZCTXYIGBJAOE-CQSZACIVSA-N 313.321 -0.557 30 20 DBED Cc1ccc(C#N)c(NCCN(CCO)C(=O)CNC(N)=O)n1 1111416685 OLQIDGGYQJNKNO-UHFFFAOYSA-N 320.353 -0.837 30 20 DBED N#Cc1nccnc1NCCN(CCO)C(=O)C1=COCCO1 1111424132 AWWFDCTWKZHUGS-UHFFFAOYSA-N 319.321 -0.531 30 20 DBED N#Cc1nccnc1NCCN(CCO)C(=O)Cc1cnc[nH]1 1111569795 OXLJZCKSKHCBKV-UHFFFAOYSA-N 315.337 -0.453 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CCN(c2ccc(C#N)nn2)C[C@@H]1C 1112387235 CKQRWSPVRYHIOH-GXFFZTMASA-N 316.365 -0.185 30 20 DBED CCOCC(=O)NC[C@@H]1CN(c2ncccc2C#N)C[C@@H]1O 1112691495 FYTZDPNZKJKWEX-OLZOCXBDSA-N 304.350 -0.097 30 20 DBED CN(C)CCC(=O)NC[C@@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1112754940 JATJPFGFQVPTFZ-YPMHNXCESA-N 318.381 -0.787 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)[C@H]2CCCCN2C)CC1 1113018787 AAWAXRIOUSGMFJ-LSDHHAIUSA-N 320.437 -0.247 30 20 DBED CNC(=O)C1(C(=O)NC[C@H](C)N(C)c2ccnc(C#N)n2)CC1 1113660683 OWWSKGKDRFQNTE-JTQLQIEISA-N 316.365 -0.185 30 20 DBED C=CCOCC(=O)NC1[C@@H]2CN([C@H]3CCC(=O)NC3=O)C[C@@H]12 1114047789 MXXGQGLZEBNVLR-MXWKQRLJSA-N 307.350 -0.959 30 20 DBED C=CCOCC(=O)N[C@H]1[C@@H]2CN(Cc3nc(N(C)C)no3)C[C@@H]21 1114054037 KCKDNDWBYQYVJG-YABSGUDNSA-N 321.381 -0.115 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)[C@H]3CN(C)CCO3)[C@H]2C1 1114090326 BPUHDCAEDCTYFA-BARDWOONSA-N 307.394 -0.987 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3ccn(C)c3)[C@H]2C1 1114136661 LMTYGWLWSMRREP-NHAGDIPZSA-N 302.378 -0.013 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)C[C@](C)(O)C=C)[C@@H]2C1 1114192098 PWTHSSBBXBKWRN-XHBSWPGZSA-N 307.394 -0.338 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)C(C)(C)COC)[C@H]2C1 1114563059 SHIRSOUFHXQZQE-IGQOVBAYSA-N 321.421 -0.157 30 20 DBED C=CCN1C[C@H]2[C@H](NC(=O)[C@H](CCC)S(N)(=O)=O)[C@H]2C1 1114621761 PVEBUCWUSJSEJX-WHOHXGKFSA-N 301.412 -0.324 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)c3c(C)n[nH]c3C)[C@@H]2C1 1114978353 SRCUSEDNSWAYGN-VXGBXAGGSA-N 317.393 -0.011 30 20 DBED CC(=O)N1CC(C(=O)N(C)C[C@@H](C)N=c2cc[nH]c(C#N)n2)C1 1115673095 IXJFVMQZKASERL-SNVBAGLBSA-N 316.365 -0.493 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)NCC[S@](=O)C(C)(C)C 1117529213 TZIMDVKSJQYTLF-SBKAZYGRSA-N 304.412 -0.033 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N(CC)[C@H]1CCS(=O)(=O)C1 1117543662 HHRQEVRQEQHKNL-QWRGUYRKSA-N 318.395 -0.661 30 20 DBED C#Cc1cccc(Cn2nnnc2N2C[C@H]3C(=O)NC(=O)[C@H]3C2)c1 1120240576 LUARMTKIHYBWQA-BETUJISGSA-N 322.328 -0.589 30 20 DBED C#CCNC(=O)CNC1CC2(C1)CC(NC(=O)[C@H](C)OC)C2 1120739246 FEPWEBJNENBAFQ-KWDKGFIESA-N 307.394 -0.212 30 20 DBED N#Cc1nc(=N[C@H](CO)CNC(=O)CCc2ccco2)cc[nH]1 1121060094 BZPRKBHORVHYOW-NSHDSACASA-N 315.333 -0.115 30 20 DBED CC(=O)N(C)CC(=O)NC[C@H](CO)N=c1cc(C)[nH]cc1C#N 1121086390 SWZOQIOPVKPCMD-CYBMUJFWSA-N 319.365 -0.949 30 20 DBED COCC#CCNC1CC2(C1)CC(NC(=O)[C@H]1C[C@H]1C(N)=O)C2 1121772649 DHUHFKAVCKTKLX-NDEDZJTOSA-N 319.405 -0.225 30 20 DBED CN1C(=O)CC[C@H]1C(=O)NC[C@H](CO)Nc1ccc(C#N)nc1 1122334024 PYPXZXWFJIKUHX-OLZOCXBDSA-N 317.349 -0.537 30 20 DBED CNC(=O)NCC(=O)N1CC[C@@H](Nc2cnc(C#N)cn2)[C@H]1C 1123111888 VIMAFOJRRZGEHR-MWLCHTKSSA-N 317.353 -0.321 30 20 DBED C#CCN1CCC(OC(=O)Cn2ccc(=O)n(C)c2=O)CC1 1123348575 CZABPZICWOYWIF-UHFFFAOYSA-N 305.334 -0.812 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)[C@@H](C)n1cccn1 1123917514 BEXWPVCVSDFPEA-LLVKDONJSA-N 322.369 -0.838 30 20 DBED CN(C[C@H](O)CNc1nccnc1C#N)C(=O)c1ncn(C)n1 1124295489 DAOHOEHTHIHBMA-SECBINFHSA-N 316.325 -0.978 30 20 DBED C#CCNC(=O)CC(=O)NCCNCc1noc(CCCC)n1 1125978168 NAZSLBCVIGRCQD-UHFFFAOYSA-N 321.381 -0.243 30 20 DBED CN(C(=O)CS(C)(=O)=O)C1CC(Nc2ccc(C#N)nn2)C1 1126859075 GSPYTBSFSUBZLC-UHFFFAOYSA-N 323.378 -0.206 30 20 DBED C=CCOCC(=O)NCc1c[nH]nc1[C@H]1CCN(CC(N)=O)C1 1130368614 POAKEHYBTVHPHO-NSHDSACASA-N 321.381 -0.497 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@@H]1CCCN(C(C)=O)C1 1131014045 LFZUTMJNAYMCBU-CYBMUJFWSA-N 310.398 -0.747 30 20 DBED CCNC(=O)CN1C[C@H]2C[C@@H]3CN(C(=O)[C@H](C)C#N)C[C@@]3(C1)O2 1131199952 ABTBELXOQYSQEP-BRXULGCHSA-N 320.393 -0.416 30 20 DBED COCC#CCNC[C@H]1CN(C(=O)C2(C(N)=O)CC2)CC[C@H]1C 1133084847 ZBPGMTAWGSWBLR-KGLIPLIRSA-N 321.421 -0.024 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)CNC(=O)CCC 1133839418 GKVPLADJRWFERK-OLZOCXBDSA-N 324.425 -0.475 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NCCNCc1nncn1C 1134812488 LZOQQAGLSKRXBE-LBPRGKRZSA-N 308.386 -0.508 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@H](C)Cc1cnc[nH]1 1135071137 AOHIHEOOVNYRJF-VXGBXAGGSA-N 305.382 -0.568 30 20 DBED C=CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)c1cnc(O)n1C 1135188403 KNCDZCLUCLDJAZ-WDEREUQCSA-N 323.397 -0.086 30 20 DBED C=CCN1CCC2(C1)CN(C(=O)[C@@H](C)NS(C)(=O)=O)C2 1148352073 ZPZGEFOWKMPMLC-LLVKDONJSA-N 301.412 -0.356 30 20 DBED C#Cc1ccc(C(=O)NCCNC[C@H](O)COCCOC)cn1 1148382750 DKXNIPXFPISDCV-HNNXBMFYSA-N 321.377 -0.594 30 20 DBED N#CCNC(=O)CN1CCC2(C1)CN(C(=O)c1cccnn1)C2 1148477175 LLYRQWOIYUVJIP-UHFFFAOYSA-N 314.349 -0.736 30 20 DBED N#Cc1ccccc1CNCCNC(=O)Cn1c(O)nnc1O 1149161289 SKNSFYPWGWTPJN-UHFFFAOYSA-N 316.321 -0.533 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CN(CCNC(=O)C2CC2)CCCO1 1149416846 WHUDRADSHIKODI-OCCSQVGLSA-N 322.409 -0.121 30 20 DBED C#CCN1CCC(C(=O)NCCNCc2cnn(C)n2)CC1 1152329850 CENVJARIOKCDKI-UHFFFAOYSA-N 304.398 -0.634 30 20 DBED Cc1nn(CC(=O)N2CCCC[C@@H]2CN(C)CC#N)c(=O)n1C 1158811539 LFPOPAINKHINLO-CYBMUJFWSA-N 320.397 -0.273 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)[C@H](C)S(C)(=O)=O 1161095335 SMBNYBJMMJLHSI-MNOVXSKESA-N 319.427 -0.794 30 20 DBED CCCc1cc(C(=O)NCCCNCC(=O)NCC#N)n[nH]1 1163687645 WWAKRPIYENEIKU-UHFFFAOYSA-N 306.370 -0.289 30 20 DBED C[C@@H](C(=O)NCCCNCC(=O)NCC#N)N1CCCCCC1 1167610550 SXVARQZEYVOJCE-AWEZNQCLSA-N 323.441 -0.013 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)NCCCN[C@@H]1CCCNC1=O 1167685505 UZNLPWIJCKGOCM-ZIAGYGMSSA-N 324.425 -0.168 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)c2cnn(C)n2)C1=O 1168325797 AZNWFQZKNFUBKU-LLVKDONJSA-N 306.370 -0.689 30 20 DBED N#CCNC(=O)CN[C@@H]1CCN(C(=O)CCn2cccn2)C1 1181011446 BPXAWDXOKGSGLY-GFCCVEGCSA-N 304.354 -0.897 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)CC2CCOCC2)C1 1181751108 LEULRDFKYOSTMN-CQSZACIVSA-N 307.394 -0.257 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)c2cc3n(n2)CCC3)C1 1183064498 QYKFWGRZQZRLKV-GFCCVEGCSA-N 317.393 -0.064 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)CCCN(C)C)C1 1185264801 GZELGWNLAAMXEH-UONOGXRCSA-N 308.426 -0.343 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 1185715992 NJMGBMUFJUUTCR-MCIONIFRSA-N 308.426 -0.345 30 20 DBED C=CCn1cc(C(=O)N2CC[C@@H](NCC(=O)N(C)CC)C2)nn1 1186193893 MHPZIUHZUFVSMJ-GFCCVEGCSA-N 320.397 -0.254 30 20 DBED CCNC(=O)NC(=O)CN1C[C@@H]2CCN(C(=O)[C@@H](C)C#N)[C@@H]2C1 1187311388 FYLHQSJRVNDEDA-SDDRHHMPSA-N 321.381 -0.476 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@H]1CCN(C(=O)Cn2cccn2)C1 1188864088 XZQCBMFYOPOIAQ-KBPBESRZSA-N 317.393 -0.446 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC[C@H](N(C)Cc2nc(O)n[nH]2)C1 1189918034 MIZHIQUYOCZQBC-IINYFYTJSA-N 309.370 -0.130 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@@H]1CCN(C(=O)c2ncn(C)n2)C1 1189983239 HAURISWJJFVSBU-NWDGAFQWSA-N 318.381 -0.901 30 20 DBED CN(CC#N)[C@H]1CCN(C(=O)CCCN2C(=O)CCC2=O)C1 1190492534 QUOZSJWZQCYKFX-LBPRGKRZSA-N 306.366 -0.028 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2cc(C)on2)C1 1190859753 IJOVOMBAMPYFEL-VXGBXAGGSA-N 308.338 -0.940 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)CC(F)(F)F)C1 1191492791 WGXWRDVSTLMLHQ-OPRDCNLKSA-N 323.315 -0.209 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)[C@]2(C)CCC(=O)N2)C1 1192217675 HEOATADHCCAWPR-WBMJQRKESA-N 322.409 -0.510 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(Cc2ocnc2C)C[C@H]1O 1192529769 GZUAQIOEJNTGRE-JMSVASOKSA-N 309.366 -0.029 30 20 DBED C=CCCOCC(=O)N1CC[C@@H](N(C)[C@@H]2CCC(=O)NC2=O)C1 1194387663 CVSBEMHWPMTKAM-CHWSQXEVSA-N 323.393 -0.083 30 20 DBED C#CCOCCC(=O)N1CCCN([C@H]2CCCNC2=O)CC1 1195824228 NOWWUVBDIRDXKK-AWEZNQCLSA-N 307.394 -0.161 30 20 DBED C#CCNC[C@@H]1CN(C(=O)c2cccc(C(N)=O)n2)CCCO1 1202183012 JRPHKVBADYJOOS-GFCCVEGCSA-N 316.361 -0.366 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCN(C(=O)C[C@H]2CCCO2)C1 1207453242 ZCQZOZWPCSQLMS-CHWSQXEVSA-N 308.382 -0.224 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)C[C@H]2CCNC2=O)[C@H](C)C1 1207537515 CTHCNVNUUQHBMP-JHJVBQTASA-N 322.409 -0.749 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)c2nccnc2N)C1 1207705224 KUFRQFBVINHNFH-LLVKDONJSA-N 318.381 -0.445 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCN(C(=O)CC2OCCCO2)C1 1207886379 WXIQRTILLNHRKP-GFCCVEGCSA-N 324.381 -0.640 30 20 DBED N#CCN[C@H]1CCCN(C(=O)CCCn2c(O)nnc2O)C1 1208463732 RUMSWWBNVGMURI-JTQLQIEISA-N 308.342 -0.426 30 20 DBED C=CCCCN[C@@H]1CCCN(C(=O)C[C@H](NC(C)=O)C(N)=O)C1 1209964629 YAEUTYHSHQABPS-KGLIPLIRSA-N 324.425 -0.087 30 20 DBED C=CCN1C[C@@H](NC(=O)CNC(=O)c2cccnc2)[C@H](OC)C1 1213474407 FPNDBEMWZCTJDG-ZIAGYGMSSA-N 318.377 -0.187 30 20 DBED C=CCCN1C[C@@H](NC(=O)[C@H](C)NS(C)(=O)=O)[C@H](OC)C1 1213492035 ZOOWZOIPCHKBEJ-QJPTWQEYSA-N 319.427 -0.684 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1C 1214543876 RKEQHGKTLAUUTK-GHMZBOCLSA-N 306.370 -0.833 30 20 DBED C#CCCN[C@@H]1CN(C(=O)c2cn(CCOC)nn2)C[C@H]1C 1214595198 IVDKUHQCRDPSGB-CHWSQXEVSA-N 305.382 -0.002 30 20 DBED C[C@@H]1CN(C(=O)Cc2cncn2C)C[C@H]1NCC(=O)NCC#N 1216382851 DRIDNLNJNVLXIM-DGCLKSJQSA-N 318.381 -0.961 30 20 DBED O=C(C#CC1CC1)N1CCO[C@@H]2CN(CCOCCO)C[C@@H]21 1217835448 UDHLFJLOQSWRKV-LSDHHAIUSA-N 308.378 -0.680 30 20 DBED C=CCOCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cnn[nH]1 1218219833 LHXVLZXNCMHYCE-QWHCGFSZSA-N 307.354 -0.468 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CCNC(=O)C1CCC1 1218771933 QDPUVQMBBJYLPV-UONOGXRCSA-N 320.393 -0.272 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2occc2C)C1 1219178782 NSJRZUOYUJKAGX-NEPJUHHUSA-N 305.334 -0.888 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)CC(C)(C)C=C)C1 1219706539 CCVOXUVTASJSQP-OLZOCXBDSA-N 307.394 -0.501 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)c2c[nH]nc2C(C)C)C1 1219928321 ZYGBTMWADNNMJI-KGLIPLIRSA-N 320.393 -0.042 30 20 DBED CC(=O)N[C@H](C(=O)N[C@@H]1CN(CC#N)C[C@@H]1O)C1CCCC1 1219973903 YNDPVBHZTGQCPZ-RDBSUJKOSA-N 308.382 -0.634 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1CN([C@H]2CCC(=O)NC2=O)C[C@@H]1O 1220141304 OPMRXQUDWAZXBI-VWYCJHECSA-N 309.366 -0.835 30 20 DBED N#CCNC(=O)CN1CCC(NC(=O)CN2CCCC2)CC1 1230267376 ANGXTISDIQDNSQ-UHFFFAOYSA-N 307.398 -0.697 30 20 DBED C=CCNC(=O)[C@@H](C)N(C)CCCNC(=O)CNC(=O)C1CC1 1234398804 YGQGOBZJQTVJAH-GFCCVEGCSA-N 324.425 -0.359 30 20 DBED C#CCSCCNC(=O)C(=O)N1CCC[C@@H]1c1nncn1C 1261093065 ZCIDVVLGMFQKOF-LLVKDONJSA-N 321.406 -0.039 30 20 DBED N#CCCOCCN[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 1261237191 KIZHJPGMIQNNLY-STQMWFEESA-N 317.411 -0.996 30 20 DBED N#CCN1CCC(NC(=O)NCCCN2C(=O)CNC2=O)CC1 1318355408 XJCQLVNWOXYOKL-UHFFFAOYSA-N 322.369 -0.785 30 20 DBED N#Cc1nc(F)ccc1OCC(=O)N[C@@H]1CCS(=O)(=O)C1 1323397086 VLBYKSGXNHGMIQ-MRVPVSSYSA-N 313.310 -0.226 30 20 DBED Cn1nnc(CNC(=O)NCCNc2ncccc2C#N)n1 1324824607 RUAPCCCLOMUXRW-UHFFFAOYSA-N 301.314 -0.612 30 20 DBED Cc1c([C@H](C)NC(=O)C(=O)N2CCO[C@@H](C#N)C2)cnn1C 1325662910 MXPGAAPHQVFQEU-ONGXEEELSA-N 305.338 -0.343 30 20 DBED C[C@H](NC(=O)C(=O)N1CC[C@](F)(C#N)C1)[C@@H]1CN(C)CCO1 1329664676 IFRHDKPSFGBPKP-MJVIPROJSA-N 312.345 -0.714 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)N2CCC[C@H](N)C2)CCN1C1CC1 1331966580 WYIRLHFGLGZWOX-AAEUAGOBSA-N 305.382 -0.865 30 20 DBED C=CCn1c(CCO)nnc1N(C)CC(=O)N1CCOCC1 1339880124 KXEFBXFUUGHBKN-UHFFFAOYSA-N 309.370 -0.706 30 20 DBED C=CCn1c(N(C)CCNC(C)=O)nnc1[C@]1(O)CCOC1 1340773123 WAUMYJUWBBKEBP-AWEZNQCLSA-N 309.370 -0.356 30 20 DBED COC(=O)C1(C#N)CCN(C(=O)CN2CCOCC2=O)CC1 1361441243 XZJZEVADXZWHSD-UHFFFAOYSA-N 309.322 -0.849 30 20 DBED N#Cc1cn(CC(=O)NCC2(O)CCCCC2)c(=O)nc1O 1362132082 XXAZZYWLQQTEGN-UHFFFAOYSA-N 306.322 -0.368 30 20 DBED CC1(C)OC[C@@H](CNC(=O)Cn2cc(C#N)c(O)nc2=O)O1 1362416187 AHOTYETWAANQPA-SECBINFHSA-N 308.294 -0.912 30 20 DBED N#Cc1c(F)cccc1C(=O)N1C[C@H](C(N)=O)[C@@H](C(N)=O)C1 1363141819 JIONTSGXZAXWRD-UWVGGRQHSA-N 304.281 -0.644 30 20 DBED CCNC(=O)CN1CCO[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 1367302101 ULLUULUDTAFIEE-LBPRGKRZSA-N 319.365 -0.547 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CCN(C(=O)CCn2cnccc2=O)C1 1385736273 QYHHEVPAFNFBBI-VXGBXAGGSA-N 317.349 -0.490 30 20 DBED N#Cc1ccc(CNC[C@H](O)CNC(=O)Cn2cncn2)s1 1406282189 NCYGIQQELKBQAY-JTQLQIEISA-N 320.378 -0.522 30 20 DBED CCC[C@@H](NC(N)=O)C(=O)N1CCN(C(=O)[C@H](C)C#N)CC1 1407056594 UCMPXWKKASAJOH-GHMZBOCLSA-N 309.370 -0.346 30 20 DBED CC(=O)N1CC(C(=O)NCCN(C(=O)[C@H](C)C#N)C2CC2)C1 1408911598 NYGIKSBPCMQFFO-SNVBAGLBSA-N 306.366 -0.268 30 20 DBED C[C@H](C#N)C(=O)N1CCN(CCN(C)C(=O)[C@H]2CCCO2)CC1 1408977924 UDPIMGPWVZURCC-ZIAGYGMSSA-N 322.409 -0.072 30 20 DBED COCC(=O)NC[C@]1(O)CCN(C(=O)c2c[nH]c(C#N)c2)C1 1411151499 MUBMPTXGABDCPI-CQSZACIVSA-N 306.322 -0.774 30 20 DBED C[C@H]1C[C@@H](C)O[C@@H]1C(=O)NCCn1cc(C#N)c(O)nc1=O 1418535825 CFOPHUNUUJTXKN-NGZCFLSTSA-N 306.322 -0.250 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(CCNC(=O)c2ncccn2)CC1 1427701625 GPOISSQRUNURGY-LBPRGKRZSA-N 316.365 -0.490 30 20 DBED C[C@H](C#N)C(=O)NC[C@@]1(C)CCN(C(=O)Cn2cncn2)C1 1432712936 ZPWUTLGYRSMNSO-BXUZGUMPSA-N 304.354 -0.207 30 20 DBED C[C@H](C#N)C(=O)N1CC(NC(=O)C(C)(C)S(C)(=O)=O)C1 1498434684 ZAGGCYTZCXPDRE-MRVPVSSYSA-N 301.368 -0.704 30 20 DBED C#CCCCC(=O)NCC1[C@H]2CN(C(=O)CNC(=O)O)C[C@H]12 1573304218 ZYJGYLKFORVKEJ-VXGBXAGGSA-N 307.350 -0.122 30 20 DBED C=C(Cl)C[C@H](NC(=O)c1cnn(C[C@@H](O)CO)c1)C(=O)O 1573307574 LGICXUCJUWJAJJ-ZJUUUORDSA-N 317.729 -0.438 30 20 DBED C[C@H](C#N)C(=O)NCCN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 1573583359 LGIRIIBKASSFQB-MRVPVSSYSA-N 316.325 -0.457 30 20 DBED N#CCC(=O)N1CCN(C(=O)Nc2ccnn2C2CNC2)CC1 1580044567 FMFHLTSSSXVOEP-UHFFFAOYSA-N 317.353 -0.383 30 20 DBED C#CCN1CCN(C(=O)CN2CCC[C@](C)(C(=O)O)C2)CC1 1588476800 GWDTZYZOOOVSAC-INIZCTEOSA-N 307.394 -0.050 30 20 DBED N#CCNC[C@@H]1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1592678787 QLNWWMRQWUTFFW-VIFPVBQESA-N 300.326 -0.230 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[C@](O)(C(=O)O)C1 1596231518 OWEZOWMBHIAFCO-MWLCHTKSSA-N 305.356 -0.766 30 20 DBED CCN(CCC#N)S(=O)(=O)N[C@](C)(COC)CC(=O)O 1596300280 SNMZRXUJOQMERH-NSHDSACASA-N 307.372 -0.064 30 20 DBED CCN(CCC#N)C(=O)CN1C[C@H](C(=O)O)[C@@H](C(=O)OC)C1 1605438350 YOLVSQBNKSQPBW-QWRGUYRKSA-N 311.338 -0.446 30 20 DBED Cc1ccc(CNC(=O)NCCn2cnc(C#N)n2)c(=O)n1C 1647187902 CYIFTKSWGUTRMR-UHFFFAOYSA-N 315.337 -0.344 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCC[C@@H](NC(=O)c2nnn(C)n2)C1 1665008949 NHFQUXOQDFFUOX-GHMZBOCLSA-N 321.385 -0.905 30 20 DBED C#CCNC(=O)CN1CCC[C@@H](CNC(=O)[C@]2(C)CCOC2)C1 1752788457 JZUUPHDVNNLXQQ-WMLDXEAASA-N 321.421 -0.009 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H]1[C@@H]2CN([C@@H](C)c3nncn3C)C[C@@H]21 1752844400 QAIMOQDAAJTBBO-QSLWVIQJSA-N 317.393 -0.039 30 20 DBED CC#CCN1CC[C@H](CNC(=O)CS(=O)(=O)N(C)C)C1 1753138400 LGVUMUJRDPOIET-GFCCVEGCSA-N 301.412 -0.661 30 20 DBED C#CCNC[C@H](O)CNC(=O)c1cccn(C(C)(C)C)c1=O 1753929586 FQNQFIWSRVSLRI-LBPRGKRZSA-N 305.378 -0.083 30 20 DBED CC#CCNC[C@H](O)CNC(=O)c1cc2c(nc1O)CCOC2 1753932972 AEGNPKHADWUFKE-LBPRGKRZSA-N 319.361 -0.437 30 20 DBED C#Cc1ccc(C(=O)NC[C@@]2(O)CCN(CCOC)C2)cn1 1754758883 FIKOBGUZTHYCGY-INIZCTEOSA-N 303.362 -0.124 30 20 DBED C=CCNC(=O)CN1CC(O)(CNC(=O)[C@@H](C)c2ccco2)C1 1754774231 IZWJOPHBCXFMMM-LBPRGKRZSA-N 321.377 -0.152 30 20 DBED N#CCNC(=O)CNC[C@@H]1CN(C(=O)c2ccc[nH]2)CCO1 1754993735 AEEFNOSALOSBQO-LLVKDONJSA-N 305.338 -0.915 30 20 DBED Cc1occc(=O)c1OCC(=O)N1CCO[C@@H](CNCC#N)C1 1755005315 MJEKHDBGIIPWIG-LBPRGKRZSA-N 321.333 -0.332 30 20 DBED C#CCNC(=O)[C@H](C)N1CC2(CN(C(=O)[C@H](C)OC)CCO2)C1 1755048738 HRPWDOVCEVQFEB-STQMWFEESA-N 323.393 -0.928 30 20 DBED CC(=O)NCCOCCN[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1C 1755109487 VWNKBUGPYYCPBQ-CJNGLKHVSA-N 321.421 -0.011 30 20 DBED N#CCNCC1(O)CCN(C(=O)c2cn3c(n2)COCC3)CC1 1755150660 FBIYTVYSXURHQM-UHFFFAOYSA-N 319.365 -0.506 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@@H](C)CNC(=O)Cc1cc[nH]n1 1755293657 VAXXYZWVHBXFRZ-NWDGAFQWSA-N 305.382 -0.473 30 20 DBED C#CCNC(=O)CN[C@H](C)[C@H]1CN(C(=O)c2ccoc2)CCO1 1755438523 JTMZHRPETHIALI-TZMCWYRMSA-N 319.361 -0.152 30 20 DBED C#CCCN[C@@H](CO)CNC(=O)[C@H]1CCc2cnc(C)n2C1 1755636103 AKXFBAQTMNSUCU-UONOGXRCSA-N 304.394 -0.156 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](CO)NCc1cnc(C)nc1 1755639350 OFRVMENRBNHQFC-ZNMIVQPWSA-N 320.393 -0.057 30 20 DBED C#CCCNC[C@H](O)CN(C)C(=O)[C@H](OC)c1cnn(C)c1 1755784347 LYWNXVFHIVECJB-UONOGXRCSA-N 308.382 -0.460 30 20 DBED C[C@H](CCCNC(=O)c1ccc(=O)n(C)n1)NC(=O)[C@H](C)C#N 1756341408 IQQBAJKPCGUQOP-GHMZBOCLSA-N 319.365 -0.045 30 20 DBED C=CC(C)(C)CC(=O)NC[C@@H](CO)NC(=O)CNC(=O)OC 1756524161 RKXJVBVEXQMSFB-JTQLQIEISA-N 315.370 -0.462 30 20 DBED C#Cc1ccc(C(=O)NC[C@H](CO)NC(=O)[C@@H]2C[C@H]2C)cn1 1756539185 ZBECEALDHUHPAD-LERXQTSPSA-N 301.346 -0.074 30 20 DBED C[C@@H](C(=O)N(C)C[C@@H](O)CNC(=O)C#CC1CC1)n1cccn1 1756654522 WYSGMEWXPNJJDG-JSGCOSHPSA-N 318.377 -0.207 30 20 DBED C=CCOCCCC(=O)N[C@H]1C[C@H](NC(=O)C(N)=O)C12CCC2 1757042855 LICSWYQIYSLGBB-RYUDHWBXSA-N 323.393 -0.002 30 20 DBED C=CCC1(C(=O)N[C@@H]2CN(C(=O)CC(N)=O)C[C@@H]2O)CCCC1 1757189950 DEQKTTCZWZUCFU-NEPJUHHUSA-N 323.393 -0.314 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](C)NC(=O)C=C)CCO2 1783051802 PLWVXDAPCIKNCO-BLLLJJGKSA-N 319.361 -0.860 30 20 DBED C[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)C#N)C[C@@H]21 1791046340 ZOFRTZDDFZMDRK-VOAKCMCISA-N 323.393 -0.103 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC#N 1795079026 UHLZWDRSFDIKRF-GUIRCDHDSA-N 319.361 -0.472 30 20 DBED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)c2ncccn2)C1 1842482937 YTZVOZJGWGAWTC-UHFFFAOYSA-N 314.301 -0.618 30 20 DBED C#CC(=O)N1CCCC12CN(C(=O)C1=NN(C)C(=O)CC1)C2 1845958336 URNOWGKCTSWMQK-UHFFFAOYSA-N 302.334 -0.569 30 20 DBED CC(C)CN1CCO[C@@H](CNC(=O)Cn2cnc(C#N)n2)C1 14144302 PYIFTCVVBBVYCZ-LBPRGKRZSA-N 306.370 -0.377 30 20 DBED N#Cc1ccc(C(=O)N2CCN(CCS(N)(=O)=O)CC2)cc1 80807847 XSDQXNUZNVFLOB-UHFFFAOYSA-N 322.390 -0.395 30 20 DBED C=CCNS(=O)(=O)c1cccc(C(=O)NC(CO)CO)c1 271427118 ZURDJVNEHRXHMX-UHFFFAOYSA-N 314.363 -0.766 30 20 DBED CON(C)S(=O)(=O)c1cccc(C(=O)NCC#CCO)c1 283817245 YLTAIPCPKABTJZ-UHFFFAOYSA-N 312.347 -0.406 30 20 DBED C[C@@H](C(=O)N(C)CCC#N)N1CCC[C@](O)(Cn2ccnn2)C1 284527238 JPWPLRWNBJKYKI-DZGCQCFKSA-N 320.397 -0.134 30 20 DBED C=CCCOCCNC(=O)C(=O)NCCNC(=O)C(C)(C)C 286245155 ZXWINODAFQKUBB-UHFFFAOYSA-N 313.398 -0.026 30 20 DBED CN(C)c1cc(NC(=O)NCCn2cnc(C#N)n2)ncn1 289698905 KGDSZZKTNGPGNG-UHFFFAOYSA-N 301.314 -0.173 30 20 DBED N/C(=N\C[C@H]1CCCS1(=O)=O)NCCCN1CCOCC1 305081453 QVPDUWFWOXDHMO-GFCCVEGCSA-N 318.443 -0.810 30 20 DBED CN1CCO[C@@H](C/N=C(/O)N(C)CC(=O)N2CCOCC2)C1 329422963 FXIZNESOXDODCT-LBPRGKRZSA-N 314.386 -0.978 30 20 DBED CC(C)/N=C(/O)CN1CCN(/C(O)=N/Cc2nnn(C)n2)CC1 330216062 HLCWWTNEJNFCPM-UHFFFAOYSA-N 324.389 -0.393 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H](C)CN1CCOCC1 330384594 ZQNUOKCTMBGZLO-NEPJUHHUSA-N 304.416 -0.367 30 20 DBED CCN(C[C@@H](C)C#N)C(=O)CN1CCC(S(N)(=O)=O)CC1 330501685 ATJHKMZCGFODHH-NSHDSACASA-N 316.427 -0.253 30 20 DBED CC(C)[C@H](O)C1(CNS(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 336883869 HJBXQWAPSUQMMI-RYUDHWBXSA-N 317.411 -0.158 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N(C)CC(=O)N1CCOCC1 336910496 IKEXBJPTMUGQBU-LLVKDONJSA-N 318.399 -0.887 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N2C[C@H]3[C@H](O)CC[C@H]3C2)CCO1 336934339 DSFFHJNVUHBRSV-IRCOFANPSA-N 301.368 -0.842 30 20 DBED CO[C@@]1(C)CCCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)C1 337192024 SXLQUZYYDNXQNQ-RYUDHWBXSA-N 303.384 -0.044 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N[C@H](C)C(=O)N1CCCC1 337247861 PFLLSVHGCSFRMU-WDEREUQCSA-N 302.400 -0.077 30 20 DBED C[C@@H](C#N)NS(=O)(=O)c1cnc2c(c1)c(O)nc(=O)n2C 339413642 YBWNVZJCQBEWCD-LURJTMIESA-N 309.307 -0.776 30 20 DBED C[C@H](NC(N)=O)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 342981362 BXEBPWRLSDEWSC-ZJUUUORDSA-N 317.353 -0.558 30 20 DBED C=CCOC[C@H]1NC(=O)N([C@@H]2CCCS(=O)(=O)C2)C1=O 348602230 MMYJIDAGWGZJOM-NXEZZACHSA-N 302.352 -0.313 30 20 DBED Cc1cc(NC(=O)C(=O)N2CCOC[C@H]2C)nn1CCC#N 349004981 LUYBXTZOAQKKGV-LLVKDONJSA-N 305.338 0.291 30 20 DBED C=C[C@H](CO)NC(=O)CNS(=O)(=O)c1c(F)cccc1F 356851849 VCTUPCXYKMQJKY-MRVPVSSYSA-N 320.317 -0.094 30 20 DBED C=CCCN(C)C(=O)C(=O)NCCCN1CCC[C@H](C(N)=O)C1 358061668 MMJBFBDOYMDDGW-ZDUSSCGKSA-N 324.425 -0.276 30 20 DBED N#Cc1ccc(CNC(=O)CN2CCN3C(=O)NC[C@@H]3C2)cc1 371864442 YVAUPHDHWBJUTQ-CQSZACIVSA-N 313.361 -0.116 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@@H](CN)CC(C)C)C1=O 419973801 HBGUTCWDFFYHFH-CHWSQXEVSA-N 324.425 -0.279 30 20 DBED C=CCC[C@@H](CO)NC(=O)Nc1ncn(CC(=O)OCC)n1 425708674 HKRJVEJXQPREAZ-JTQLQIEISA-N 311.342 0.290 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@H]1CC[C@@H](CO)O1 431605498 RLBPCMKSGVESSO-UTUOFQBUSA-N 305.400 -0.158 30 20 DBED C=CCOCCCC(=O)N1C[C@H](N(C)CC(=O)O)[C@H](O)C1 435706447 OGPHFBJQDHONQW-NWDGAFQWSA-N 300.355 -0.443 30 20 DBED C=CC[C@H](C)NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1 443467318 QYPNIDLNSCEGOL-JTQLQIEISA-N 311.429 -0.637 30 20 DBED C#CCN1CCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 491071610 MARNTHDIHYHRRV-UHFFFAOYSA-N 310.335 -0.071 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2cnc(C)cn2)CC1 491209652 JVFWOICAKBVIGC-UHFFFAOYSA-N 301.350 -0.708 30 20 DBED Cc1ccc(C#N)cc1S(=O)(=O)N[C@@]1(C(N)=O)CCOC1 578143636 WWBFZGOOUAQZSU-ZDUSSCGKSA-N 309.347 -0.211 30 20 DBED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CC(C#N)C2)cc1 590766197 LOIGUDWWJIMMQV-UHFFFAOYSA-N 304.331 -0.181 30 20 DBED CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)CNc1ccc(C#N)cc1 598024334 AJQIBXMQJGWXBB-OLZOCXBDSA-N 323.374 -0.102 30 20 DBED N#CCCN1CCN(C(=O)C(=O)N2CCn3cncc3C2)CC1 601531914 FLPMXGNPRSENPR-UHFFFAOYSA-N 316.365 -0.717 30 20 DBED CN(C)C(=O)Cn1cnc(NC(=O)N2CC[C@](F)(C#N)C2)n1 615537167 ONGJNPIQCHLPMK-LBPRGKRZSA-N 309.305 -0.164 30 20 DBED CC#CC[C@H](CO)NC(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1 627976957 DAVLISLCINGNDZ-VXGBXAGGSA-N 304.350 -0.337 30 20 DBED C#CCNS(=O)(=O)N1CCN(Cc2noc(CC)n2)CC1 761030253 FOMRNBHWOABZHY-UHFFFAOYSA-N 313.383 -0.783 30 20 DBED COC(=O)NCC(=O)NS(=O)(=O)c1cccc(F)c1C#N 781603265 UCFZXHNMRJJDOG-UHFFFAOYSA-N 315.282 -0.142 30 20 DBED N#CC1(CS(=O)(=O)NC(=O)c2cnc3[nH]nnc3c2)CC1 793194481 MBUUCBUJPOIKHI-UHFFFAOYSA-N 306.307 -0.284 30 20 DBED C=CCOC[C@@H](NC(=O)NCCn1cnnc1CC)C(=O)O 797729846 SHUYXWNIMIAXJG-SNVBAGLBSA-N 311.342 -0.205 30 20 DBED C#CCC[C@H](O)CNC(=O)[C@@H](O)[C@H](O)c1nc2ccccc2[nH]1 799077892 SYPZNOCLYJYHFW-BPNCWPANSA-N 317.345 -0.152 30 20 DBED C#CCCS(=O)(=O)NCCS(=O)(=O)NCC1CCC1 808291502 NPUYWNFUFTXRAY-UHFFFAOYSA-N 308.425 -0.351 30 20 DBED C#CCNC(=O)CN1CCN(C[C@@H]2CC(C(=O)O)=C(C)O2)CC1 833365605 NLMKBZXGMMTPAN-ZDUSSCGKSA-N 321.377 -0.499 30 20 DBED C#CCNS(=O)(=O)N1CCN(C/C=C(/C)C(=O)O)CC1 833365846 UHEQVGXNPXFLFC-WCIBSUBMSA-N 301.368 -0.898 30 20 DBED C#C[C@@H](NC(=O)C(=O)N1CCC(C)(C(=O)O)CC1)[C@@H]1CCCO1 843257479 PXIUETQUBYGRCX-NEPJUHHUSA-N 322.361 -0.003 30 20 DBED CN(C)S(=O)(=O)NCCNC(=O)Cc1ccccc1CC#N 846656918 QADVUPQDHQUMOF-UHFFFAOYSA-N 324.406 -0.193 30 20 DBED O=C1COc2ncc(C(=O)N[C@H]3CCCN(O)C3=O)cc2N1 848135000 HVUMUYDYLHSCQC-QMMMGPOBSA-N 306.278 -0.478 30 20 DBED C=CCCONC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 856030122 PUSFQCOJTQKJMV-GHMZBOCLSA-N 316.379 -0.354 30 20 DBED CN(C)S(=O)(=O)CCS(=O)(=O)N1CCC[C@H](CC#N)C1 882385664 FWNUHNFTXVZZNJ-LLVKDONJSA-N 323.440 -0.167 30 20 DBED C[C@@H](O)C(=O)N1CCN(C(=O)c2cccc(C#CCO)c2)CC1 901271294 SNGJYKLXGKQHBD-CYBMUJFWSA-N 316.357 -0.304 30 20 DBED C#CCN1CCN(C(=O)CN[C@]2(C)CC(C)(C)OC2=O)CC1 930873951 HDKJQRSMEGUZQM-MRXNPFEDSA-N 307.394 -0.162 30 20 DBED C[C@@H]1CN(CC#N)CC[C@H]1NC(=O)c1cnc(O)n(C)c1=O 942552170 BXPOVLPFHNQIIW-MWLCHTKSSA-N 305.338 -0.550 30 20 DBED C#CCN1CCC(C(=O)N[C@H]2CCN(CC(N)=O)C[C@@H]2C)CC1 945180808 LVIKPGAQNPMAJP-ZFWWWQNUSA-N 320.437 -0.357 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H]2[C@H]3C[C@H]2N(C(=O)c2nc[nH]n2)C3)c1 946880158 NQNJWDIGTQVRIV-GDPRMGEGSA-N 311.305 -0.353 30 20 DBED C[C@H](C#N)C(=O)N1CCC(NC(=O)c2cn(C)c(=O)n2C)CC1 948106413 NIUFQRFLIYTAPQ-SNVBAGLBSA-N 319.365 -0.396 30 20 DBED CN(C(=O)[C@@H]1CCS(=O)(=O)C1)C1CN(C(=O)C#CC2CC2)C1 954756827 ZWMSENGLACQHKL-GFCCVEGCSA-N 324.402 -0.496 30 20 DBED C#CCN1C[C@H](CNC(=O)c2nc3ncc(C)cn3n2)[C@@H](O)C1 958168058 SIRKSZDHSLSUPI-RYUDHWBXSA-N 314.349 -0.912 30 20 DBED C=CCCN1C[C@H](O)[C@H](CNC(=O)c2ccc(C(N)=O)o2)C1 958240195 YLXVRDUZQYXKPY-MNOVXSKESA-N 307.350 -0.023 30 20 DBED C=CCCN1C[C@H](O)[C@H](CNC(=O)c2ccc3nnnn3c2)C1 958255381 XMIJWERKJHDCSL-OLZOCXBDSA-N 316.365 -0.277 30 20 DBED CN(C(=O)[C@@H]1CCCOC1)[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 958730590 AYKJMQJFEZEKFD-ILXRZTDVSA-N 320.389 -0.144 30 20 DBED CCOc1cnc(C(=O)NC[C@H]2CN(CC#N)C[C@H]2O)cn1 958763012 QDHMIZKWHKDXCX-CMPLNLGQSA-N 305.338 -0.579 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)c2c(F)cncc2F)C1 965272307 MRHIUKGLRJHAQZ-XROYCOCOSA-N 324.287 -0.179 30 20 DBED Cc1c(CC(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)cnn1C 965623201 ZSQYMDGWBGQWGF-BIMULSAOSA-N 319.365 -0.881 30 20 DBED COCCn1cc(C(=O)N[C@@H]2CN(CC#N)CC[C@H]2C)nn1 966000874 TXGLSBLFGZXZDK-VXGBXAGGSA-N 306.370 -0.112 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@H](NC(=O)[C@@H]2CCCNC2=O)C1 966586588 YYOBHZPCNVVGMQ-UTUOFQBUSA-N 323.393 -0.587 30 20 DBED CC(=O)N1CCN(C2CN(C(=O)c3ccc(C#N)[nH]3)C2)CC1 967151631 PWWMWQQMQSLULS-UHFFFAOYSA-N 301.350 -0.125 30 20 DBED C=CCn1cc(C(=O)N2CCN(C3CN(C(C)=O)C3)CC2)nn1 967210841 GEELDFACHDZSFT-UHFFFAOYSA-N 318.381 -0.547 30 20 DBED C=CCN1CC[C@H](N(C)[C@@H]2CCN(C(=O)c3cnn[nH]3)C2)C1=O 971850259 HJRJCLICCQEYLJ-YPMHNXCESA-N 318.381 -0.262 30 20 DBED C#CCCN1C[C@H]2CC[C@H]1CN2C(=O)[C@@H]1CCS(=O)(=O)N1 972122906 TZWCAOIVLIWZIS-XQQFMLRXSA-N 311.407 -0.623 30 20 DBED C=C1CC(C)(C(=O)N[C@H]2C[C@@H](NC(=O)c3nnn(C)n3)C2)C1 974370941 RHBSKRJCVFCHKA-AOOOYVTPSA-N 304.354 -0.057 30 20 DBED C[C@@H](C#N)C(=O)N1CCCN(CC(=O)NC2CCOCC2)CC1 980847906 LOFHGGWGVRGMTG-ZDUSSCGKSA-N 322.409 -0.024 30 20 DBED C#CCCN1CCCN(C(=O)c2cn(C)c(=O)n(C)c2=O)CC1 982070703 VKLVVNBRFAPQTN-UHFFFAOYSA-N 318.377 -0.745 30 20 DBED N#CCN1CCCC2(C1)CN(C(=O)C[C@H]1CC(=O)NC1=O)C2 982176893 VDGKDCSWFOCIES-LLVKDONJSA-N 304.350 -0.513 30 20 DBED CCO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1CNC(=O)c1cnon1 983252109 FDGPWYGTEWLVMY-HOSYDEDBSA-N 321.337 -0.177 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CN(C)C(=O)[C@H]2COC(=O)N2)CC1 988626188 WEIFIAHQBJJNHQ-CMPLNLGQSA-N 322.365 -0.049 30 20 DBED Cn1cc(C(=O)N2CC(NC(=O)c3c[nH]c(C#N)c3)C2)nc1O 990935747 PCDJQNWNECBJOG-UHFFFAOYSA-N 314.305 -0.420 30 20 DBED C#Cc1cncc(C(=O)N2CC(NC(=O)[C@@H]3COC(=O)N3)C2)c1 991125939 MZLFCEISGORMAO-LBPRGKRZSA-N 314.301 -0.888 30 20 DBED O=C(CN1CCCC1)N[C@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1O 991505413 QBCRPDZOCGGHSA-GJZGRUSLSA-N 319.405 -0.426 30 20 DBED C=CC(C)(C)C(=O)N1CC(NC(=O)CN2CCOCC2=O)C1 994222843 LIGUWARZDWJRHG-UHFFFAOYSA-N 309.366 -0.616 30 20 DBED C#CCN1CCC([C@H](C)NC(=O)c2cnc(O)n(C)c2=O)CC1 997704699 ZSDOKPJILZAJJD-NSHDSACASA-N 318.377 -0.051 30 20 DBED C=CCN1CC[C@H](n2cc(CNC(=O)[C@@H]3CCC(=O)N3)nn2)C1 1000034857 JXXOGLAGSRSIBT-STQMWFEESA-N 318.381 -0.394 30 20 DBED N#Cc1ccc(C(=O)NCC2CN(C(=O)C3(C(N)=O)CC3)C2)[nH]1 1001482176 IVRSISYRILADLJ-UHFFFAOYSA-N 315.333 -0.660 30 20 DBED CC(=O)N1CCC[C@H](C(=O)NCC2CN(C(=O)[C@@H](C)C#N)C2)C1 1003184001 YNLCCODUPLQECE-FZMZJTMJSA-N 320.393 -0.021 30 20 DBED C=C[C@@](C)(CC)C(=O)N1CCO[C@]2(CCN(C(=O)C(N)=O)C2)C1 1007715249 OYTAFJFVNGHFLF-HOTGVXAUSA-N 323.393 -0.096 30 20 DBED CC(=O)N1CC[C@H](C(=O)N2CCN(C(=O)C#CC3CC3)CC2)C1 1011109114 OZRHPNDDTDCVCI-HNNXBMFYSA-N 317.389 -0.061 30 20 DBED N#CCN1CC[C@H](NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 1015354960 BHWBTKFLKPMVEK-ZNMIVQPWSA-N 322.409 -0.420 30 20 DBED CC#CCN1CC[C@@H](NC(=O)Cc2c(C)nc(O)nc2O)C1 1015896257 VXDBIDHUFSAECG-LLVKDONJSA-N 304.350 -0.047 30 20 DBED C=CCCN1CCC2(CC1)C[C@@H]2NC(=O)CN1CCNC(=O)C1 1016761525 LYIYSNKDSAJKNP-AWEZNQCLSA-N 320.437 -0.035 30 20 DBED C=CCN1C[C@@H]2CC[C@H](C1)N2C(=O)c1cn(C)c(=O)n(C)c1=O 1018027705 LOMFAJZGPATDJB-TXEJJXNPSA-N 318.377 -0.441 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H](NCC(=O)N2CCC2)C1 1020250841 UMHQCCQHFKHJNK-KKUMJFAQSA-N 318.421 -0.447 30 20 DBED C#CCOc1ncccc1C(=O)N[C@H]1C[C@@H](N[C@H](C)C(N)=O)C1 1022991128 YVGROJDGGVKQDQ-UTUOFQBUSA-N 316.361 -0.182 30 20 DBED O=C(N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O)C1=COCCC1 1023182866 CWJXQKJWSOTBGN-ZIAGYGMSSA-N 304.346 -0.218 30 20 DBED C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2cn(CC(N)=O)nn2)C1 1025630471 UIKLJEBCGLBFHI-NEPJUHHUSA-N 318.381 -0.773 30 20 DBED N#CCN[C@@H]1CC[C@@H]2CN(C(=O)c3nccnc3C(N)=O)C[C@H]21 1026416637 XORBEWGIHULLGY-GMTAPVOTSA-N 314.349 -0.461 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)[C@@H]1CCC(=O)NC1 1026620081 KIHJLVCRBUGWNI-MRVWCRGKSA-N 317.389 -0.111 30 20 DBED C#CCN1[C@H]2CC[C@H]1CN(C(=O)CN1C(=O)NC(=O)C1(C)C)C2 1029541624 JFMCQZGQUYZZQN-RYUDHWBXSA-N 318.377 -0.375 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)c3cc(C)n(C)n3)C2)C1=O 1030137472 FGRPNVHBPGLMEP-AWEZNQCLSA-N 317.393 -0.071 30 20 DBED C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)CN1CC(=O)NC1=O 1032687235 XNQWDJOQIBUBAV-RYUDHWBXSA-N 306.366 -0.211 30 20 DBED C=CCCN1CCO[C@H](CNC(=O)c2cn(CCOC)nn2)C1 1035360189 AVCYGFRHIROGRH-CYBMUJFWSA-N 323.397 -0.069 30 20 DBED C#CCN[C@H]1CCN(C(=O)CCN2C(=O)CCC2=O)C[C@@H]1C 1036108295 IYJXVBANKKYZOC-STQMWFEESA-N 305.378 -0.015 30 20 DBED C[C@@H]1CN(C(=O)c2cn(C)c(=O)n(C)c2=O)CC[C@@H]1NCC#N 1036205448 XDLMOUCPIGSXHE-PWSUYJOCSA-N 319.365 -0.952 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCN1Cc1nnn(C)n1 1038265313 DIHFKANMCLCNPG-XQQFMLRXSA-N 320.397 -0.118 30 20 DBED C=CCN1CC[C@H]1CNC(=O)c1ccc(=O)n(CCOC)n1 1038476041 BJDWNENUENDDFN-LBPRGKRZSA-N 306.366 -0.120 30 20 DBED C#CCN1CC[C@@H](C2CCN(C(=O)Cn3cnnn3)CC2)C1 1039104416 QWEASVFRUUWTNB-CQSZACIVSA-N 302.382 -0.133 30 20 DBED Cc1c[nH]nc1C(=O)NC[C@]1(O)CCN(C(=O)C#CC2CC2)C1 1039674925 VGBZOXOLJHTGRN-MRXNPFEDSA-N 316.361 -0.175 30 20 DBED CC#CCN1CC[C@]2(CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)C1 1041674815 LIJIRNSCJRXGDI-VBQJREDUSA-N 319.405 -0.033 30 20 DBED N#Cc1cc(C(=O)N2CC[C@@H]3CCN(CC(N)=O)[C@@H]3C2)c[nH]1 1042018975 PJXLLPXGSJKLME-GXFFZTMASA-N 301.350 -0.092 30 20 DBED COC[C@H](C)C(=O)NCC1(O)CN(C(=O)c2cc(C#N)c[nH]2)C1 1042030700 DTMBFJZGQXLRDS-JTQLQIEISA-N 320.349 -0.528 30 20 DBED CO[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1NC(=O)c1cn[nH]c1 1042757327 DHJWLLSNXUMGNB-VXGBXAGGSA-N 313.321 -0.295 30 20 DBED Cc1ncn(C)c1C(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1043475981 NMHKGQDLJNJTHC-UHFFFAOYSA-N 316.361 -0.555 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CO[C@@H](C)C2)C1 1043624220 KCLVSRHSPPQZDK-STQMWFEESA-N 308.378 -0.096 30 20 DBED Cn1cnc(C(=O)N[C@@H]2CN(c3nccnc3C#N)C[C@@H]2O)c1 1043907269 CSAOJGZCJVHHFY-PWSUYJOCSA-N 313.321 -0.939 30 20 DBED COCc1nocc1C(=O)NCC1(O)CN(C(=O)[C@H](C)C#N)C1 1043908491 FKXWXFKASSPLIL-SECBINFHSA-N 322.321 -0.716 30 20 DBED CCC[C@@H](OC)C(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1044397477 FTOJWGFTSOEIOG-CYBMUJFWSA-N 308.378 -0.096 30 20 DBED C#CCCCCCC(=O)NCC1(O)CN(C(=O)c2cnon2)C1 1044475572 VALDJYPUOPSAQI-UHFFFAOYSA-N 320.349 -0.044 30 20 DBED C[C@H]1C[C@@H](NCC#N)CCN1C(=O)CCn1cc[nH]c(=O)c1=O 1044777177 QSLYHGBANZCASK-RYUDHWBXSA-N 319.365 -0.581 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)C2(CF)CC2)C1 1046354836 RDEUURZCRVUBRQ-UHFFFAOYSA-N 300.330 -0.372 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)C2CC3(CC3)C2)C1 1046359435 NZGCLGVZIKQWKJ-GFCCVEGCSA-N 320.389 -0.096 30 20 DBED C[C@]1(NC(=O)[C@@H]2Cc3cncn3C(=O)N2)CCN(CC#N)C1 1046506522 XKOQRGAJNBXFIF-FZMZJTMJSA-N 302.338 -0.530 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCN(C(C)=O)C2)C1 1047612698 LYZQBOCTLNFJGU-ILXRZTDVSA-N 307.394 -0.618 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)[C@H]1CN(C(=O)CC2CC2)C[C@@H]1O 1048844567 NJBIIXYMCVKZNH-UBHSHLNASA-N 308.378 -0.145 30 20 DBED C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1cn(C)c(=O)nc1O 1049883730 BSPDZPRRGRWBTR-STQMWFEESA-N 316.361 -0.202 30 20 DBED C[C@@H]1[C@@H](NC(=O)Cn2cnnn2)CCN1c1ccnc(C#N)n1 1050061135 JWUJUAYPGFEOMH-ZJUUUORDSA-N 313.325 -0.882 30 20 DBED Cn1cncc1[C@@H]1C[C@H]1C(=O)NC[C@@H]1COCCN1CC#N 1051121722 WXTQXDIMVYRYNS-JHJVBQTASA-N 303.366 -0.136 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1COCCN1CC(N)=O 1051165070 WEIXRTDCVRHXQI-DYEKYZERSA-N 311.382 -0.730 30 20 DBED CC#CCN1CCOC[C@@H]1CNC(=O)c1cc(C(N)=O)c[nH]1 1051188010 FJAGIAGTMZIZAH-LBPRGKRZSA-N 304.350 -0.433 30 20 DBED CC(C)n1nnnc1CNC[C@@H]1CN(C(=O)[C@H](C)C#N)CCO1 1051495124 QYNVHKADYGEJCW-VXGBXAGGSA-N 321.385 -0.269 30 20 DBED CN1CC[C@H](C(=O)N[C@H]2CCCN(CC#N)CC2)S1(=O)=O 1052785664 KATUCDOEUHELJR-NWDGAFQWSA-N 314.411 -0.485 30 20 DBED C[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1CNC(=O)CSCC#N 1053160869 MFKHTBQGHJIDAY-NXEZZACHSA-N 322.394 -0.114 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)C[C@H]1CCNC1=O)CCO2 1053285342 SCYGCEVBYQBMTB-CYBMUJFWSA-N 305.378 -0.551 30 20 DBED COCCn1cc(C(=O)N[C@@H]2COC3(C2)CN(CC#N)C3)nn1 1053796681 NFBVKJCTYCUJCK-NSHDSACASA-N 320.353 -0.979 30 20 DBED CC(C)N1C(=O)CC[C@H]1C(=O)N[C@@H]1COC2(C1)CN(CC#N)C2 1053903974 CHDJTBUDSRIAAX-STQMWFEESA-N 320.393 -0.131 30 20 DBED Cc1ccn(CC(=O)N[C@H]2COC3(C2)CN(CC#N)C3)c(=O)c1 1053945294 RVZLJTCDRUDYRK-CYBMUJFWSA-N 316.361 -0.360 30 20 DBED C#CCN1CC[C@]2(CCCN(C(=O)[C@@H]3CN(C)C(=O)N3)C2)C1 1054178191 XVCOGADFHPCNFC-XJKSGUPXSA-N 304.394 -0.042 30 20 DBED CC(=O)N(C)CC(=O)N1C[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2C1 1055182631 AYMFSEBSRHGQKI-WCFLWFBJSA-N 306.366 -0.459 30 20 DBED C[C@H](C#N)C(=O)N[C@]1(CO)CCCN(C(=O)c2cn(C)nn2)C1 1056094690 VVEXTZYKIVUYJP-QMTHXVAHSA-N 320.353 -0.942 30 20 DBED CC(=O)NCC(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@H](C)C#N 1056193044 FGMCWPRBBZFVPN-RTXFEEFZSA-N 306.366 -0.126 30 20 DBED N#Cc1nccc(N2C[C@H]3[C@H](NC(=O)[C@@]45COC[C@@H]4C5)[C@H]3C2)n1 1056451662 XBJPLSIOYWQNFC-AOVPVAKLSA-N 311.345 -0.064 30 20 DBED N#Cc1nc(=N[C@@H]2CCN(C(=O)C[C@@H]3CCNC3=O)C2)cc[nH]1 1056716231 HILBQELRZSKDDP-WDEREUQCSA-N 314.349 -0.691 30 20 DBED N#CCSCC(=O)NCCN(CCO)C(=O)c1ccon1 1057092648 SWADIXXVLAZMSQ-UHFFFAOYSA-N 312.351 -0.518 30 20 DBED N#Cc1nccc(N2CCCN(C(=O)[C@H]3CCNC3=O)CC2)n1 1057204628 GYNUQSWYGZWMKB-NSHDSACASA-N 314.349 -0.477 30 20 DBED Cn1nnc(C(=O)N2CCCN(c3ccncc3C#N)CC2)n1 1057212284 VUKLDTXTFJMOMK-UHFFFAOYSA-N 312.337 -0.171 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)C1(F)CCOCC1 1057900183 OILMWBCRRSBYPW-NSHDSACASA-N 315.345 -0.398 30 20 DBED C=CCCOCC(=O)N(CCO)CCNC(=O)c1cnn(C)c1 1057919077 LKSDVAFYJCUCKU-UHFFFAOYSA-N 324.381 -0.437 30 20 DBED CCc1n[nH]cc1C(=O)N(CCO)CCNC(=O)C#CC1CC1 1058054872 QPKCGJRJZPSVOI-UHFFFAOYSA-N 318.377 -0.064 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)[C@@H]1CC[C@@H]1C(N)=O 1058294553 OXIADKAKKIMVKJ-QWHCGFSZSA-N 323.393 -0.762 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)[C@H]1CCC(=O)N1C 1058483598 PUOKVQHUMBPXBP-CYBMUJFWSA-N 323.393 -0.652 30 20 DBED C=CCO[C@H](C)C(=O)NCCN(CCO)C(=O)Cc1ncc[nH]1 1058547374 FCVXJNBBKGAASC-GFCCVEGCSA-N 324.381 -0.520 30 20 DBED C=CCCCC(=O)N(CCO)CCNC(=O)[C@@H]1CCNC1=O 1058626608 RCHNWUVVGPGXMV-GFCCVEGCSA-N 311.382 -0.584 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)[C@H]1CC12CCOCC2 1058662881 AYJZHDNXPCEMJS-QWHCGFSZSA-N 323.393 -0.100 30 20 DBED N#Cc1cnc(N[C@H]2CCN(C(=O)[C@H]3COC(=O)N3)C2)cn1 1058883652 ONXHTNRIBDUDRG-WCBMZHEXSA-N 302.294 -0.531 30 20 DBED Cc1c(C(=O)N[C@H]2C[C@@H](N=c3cc[nH]c(C#N)n3)C2)nnn1C 1059600136 WRBYFOWLJBRZBX-AOOOYVTPSA-N 312.337 -0.420 30 20 DBED N#Cc1cccnc1NC[C@@H]1CCN(C(=O)Cn2ncnn2)C1 1060927210 KGTFOXHTCOFKJE-NSHDSACASA-N 312.337 -0.100 30 20 DBED C=CCOCC(=O)N1CCC2(CC1)CN(C(=O)CC(=O)NC)C2 1060981519 GQBDMRSJONJYNT-UHFFFAOYSA-N 323.393 -0.224 30 20 DBED C=CCCCC(=O)N1CCOC[C@@H]1CNC(=O)Cn1cncn1 1061918102 WCSWUIBBRGXFFO-ZDUSSCGKSA-N 321.381 -0.022 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2c1ccc2nnnn2n1 1061939246 VQSATBBAKSFDJT-MXWKQRLJSA-N 312.337 -0.141 30 20 DBED Cn1nncc1C(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(C#N)n1 1062480771 ADIYUGHYHKFOID-UWVGGRQHSA-N 310.321 -0.420 30 20 DBED C=C[C@](C)(O)CC(=O)NC1(CNC(=O)Cn2cnnn2)CCC1 1062499284 CWKJXXPURHFZAK-ZDUSSCGKSA-N 322.369 -0.845 30 20 DBED CN1CCO[C@H](C(=O)NC2(CNC(=O)C#CC3CC3)CCC2)C1 1062974333 XFZCAZZHNUDBNS-AWEZNQCLSA-N 319.405 -0.115 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)C2CS(=O)(=O)C2)CCC1 1063159245 IIYBLTQKDIXDBQ-VIFPVBQESA-N 313.379 -0.654 30 20 DBED N#Cc1nc(=NC[C@H]2CCCN2C(=O)[C@H]2C[C@H]2C(N)=O)cc[nH]1 1063559123 DOKMXEXPEVGYDG-MXWKQRLJSA-N 314.349 -0.706 30 20 DBED Cc1cc(=N[C@H]2CCN(C(=O)C(N)=O)C[C@@H]2C)c(C#N)c[nH]1 1063792706 XPASYENGWMVJSK-CABZTGNLSA-N 301.350 -0.182 30 20 DBED COCC(=O)N[C@H](C)C(=O)NC1(CNC(=O)[C@@H](C)C#N)CCC1 1064311046 WFAKLUGKBPOQOV-WDEREUQCSA-N 324.381 -0.548 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CN(C(=O)c2cncnc2)CCO1 1065072605 FDVQJEHENCSJCB-PWSUYJOCSA-N 303.322 -0.407 30 20 DBED C=CCCCC(=O)NC[C@H]1CN(C(=O)Cn2ncnn2)CCO1 1065182693 LQSMQMZCMGNGOV-LBPRGKRZSA-N 322.369 -0.627 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)[C@@H]2[C@H]3COC[C@H]32)CCO1 1065481196 SQGKQSOVGHJTJI-CXTNEJHOSA-N 324.377 -0.575 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CCCN(C(=O)c2cnn[nH]2)CC1 1066170849 YRBJMJZEGIUCPZ-VXGBXAGGSA-N 319.365 -0.046 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CCCN(C(=O)Cn2cnnc2O)C1 1070641791 XOWOOQJPFLGUNG-GFCCVEGCSA-N 319.365 -0.250 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CCCN2C(N)=O)C1 1070939170 YBOVJDLDGNNUPV-TUAOUCFPSA-N 321.381 -0.204 30 20 DBED C=CCOCC(=O)N1C[C@@H](C)[C@@H](NC(=O)c2cnc(O)n2C)C1 1071804992 JIQFOADCOYCRES-MNOVXSKESA-N 322.365 -0.095 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)c2cc(=O)n(C)o2)C[C@@H]1C 1071979578 WYSSUIJLSQGDIM-WDEREUQCSA-N 323.349 -0.242 30 20 DBED C=C[C@@H](C)[C@@H](C)C(=O)N1CCN(C2CN(C(=O)C(N)=O)C2)CC1 1073591156 VCUULEIRNHPDHD-VXGBXAGGSA-N 322.409 -0.715 30 20 DBED C=C[C@H](C)[C@H](C)C(=O)N1CC(N2CCN(C(=O)C(N)=O)CC2)C1 1073596486 WQRDWWKILHCEIO-RYUDHWBXSA-N 322.409 -0.715 30 20 DBED CCN1C[C@@H](C(=O)NC[C@H]2CN(CC#N)CCCO2)CC1=O 1073629972 JWEPHZXVKSHNAL-STQMWFEESA-N 308.382 -0.415 30 20 DBED C=CCCN1CCCO[C@@H](CNC(=O)C2CC(=O)NC(=O)C2)C1 1073818268 CTMMGXKTIJZRQM-ZDUSSCGKSA-N 323.393 -0.178 30 20 DBED C#CCCN1CCO[C@@H]2CCN(C(=O)CN3CCCC3=O)C[C@H]21 1074161096 ZDLQWZIBRKXQFP-HUUCEWRRSA-N 319.405 -0.066 30 20 DBED C=CCOCC(=O)N[C@@H](C)CCNC(=O)C1CN(C(C)=O)C1 1076284837 PBSHJUROAZFDTC-NSHDSACASA-N 311.382 -0.322 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCN(C(=O)CC)C2)C1 1077047968 YOBAQKPKMOMRPU-BFHYXJOUSA-N 307.394 -0.571 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCN(C(C)=O)C2)C1 1077335185 DOXNOAGTXYQTPC-RRFJBIMHSA-N 307.394 -0.571 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)c2cnc3c(c2)nnn3C)C1 1077407357 RAJRMMHSXAILJA-CHWSQXEVSA-N 314.349 -0.839 30 20 DBED C#CCN[C@H]1C[C@H](NC(=O)c2cn(C)c(=O)nc2O)C12CCC2 1078807415 WOKHPBYRDMLDRF-RYUDHWBXSA-N 316.361 -0.250 30 20 DBED C#CCNC(=O)CC(=O)N(CC)C1CN(C(=O)[C@@H]2CCOC2)C1 1079644438 FSVBTJXXKGLAQK-GFCCVEGCSA-N 321.377 -0.778 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)CC(=O)NCC)C1 1079647394 AGIUVQKFDHWVAW-LBPRGKRZSA-N 323.393 -0.390 30 20 DBED CCN(C(=O)[C@]1(C)CCNC1=O)C1CN(C(=O)C#CC2CC2)C1 1080553577 MUADPQKRAKQBJQ-QGZVFWFLSA-N 317.389 -0.015 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)CN2CCCC2)C[C@H]1O 1081338970 YVOKNKBUGIZBSU-ZIAGYGMSSA-N 309.410 -0.016 30 20 DBED C=CCCC(=O)N1C[C@H](CNC(=O)Cn2nccn2)[C@@H](O)C1 1081517673 SPRFNRPDGVYOHS-RYUDHWBXSA-N 307.354 -0.820 30 20 DBED CC(C)C#CC(=O)N1C[C@H](CNC(=O)CCCC(N)=O)[C@@H](O)C1 1081578207 YAJRWVAITVAMRT-STQMWFEESA-N 323.393 -0.763 30 20 DBED C#CCCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2ncccn2)C1 1081688901 XTQSYISSQRYNFI-QWHCGFSZSA-N 316.361 -0.171 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@@H]2CN3CC4CC3(CO2)C4)[C@H](OC)C1 1081959608 PCNFWNLPBWLPFS-QJNCVLDKSA-N 319.405 -0.702 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)[C@H](OC)C1 1082156658 UISSZARVUSXYCN-GBJTYRQASA-N 302.378 -0.028 30 20 DBED C=CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CS(C)(=O)=O 1083017687 VWYITEROFZLTAM-NWDGAFQWSA-N 302.396 -0.481 30 20 DBED Cc1nc(C(=O)N2CCO[C@@H]3CN(CC#N)C[C@@H]32)c(=O)[nH]c1C 1083117400 PJBCTOGVHJZIAI-NWDGAFQWSA-N 317.349 -0.564 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)Cc2nnn(C(C)(C)C)n2)C1 1083486296 RLYOBLBWKGKHQT-NEPJUHHUSA-N 320.397 -0.845 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2ccc(-n3ccnc3)nc2)C1 1083685185 HPODRCIVWVXBIQ-OLZOCXBDSA-N 312.333 -0.434 30 20 DBED COCCn1cc(C(=O)N2C[C@H]3CCN(CC#N)C[C@H]3C2)nn1 1087962808 KQTGLJQSXMHHCF-OLZOCXBDSA-N 318.381 -0.158 30 20 DBED C#CCCN1CC[C@@H]2CN(C(=O)C3CS(=O)(=O)C3)C[C@@H]2C1 1087978215 RDXGWSKECHHQBD-OLZOCXBDSA-N 310.419 -0.165 30 20 DBED N#CCN[C@H]1CCCCCN(C(=O)CN2C(=O)CNC2=O)C1 1088423048 IJEOHMNCJIINND-NSHDSACASA-N 307.354 -0.577 30 20 DBED CCN(c1ccnc(C#N)n1)[C@H](C)CNC(=O)[C@H]1COC(=O)N1 1089636394 XPDJJIFRXRPULV-NXEZZACHSA-N 318.337 -0.212 30 20 DBED C=CCN1CC[C@H](NC(=O)c2ccc3nn[nH]c3n2)[C@@H](O)C1 1090310408 MACSEOCDHZTFMX-CABZTGNLSA-N 302.338 -0.296 30 20 DBED C#CCN1CC[C@H](NC(=O)c2ccc3nn[nH]c3n2)[C@H](O)C1 1090311328 RRRUEXBPXMSKAL-JOYOIKCWSA-N 300.322 -0.849 30 20 DBED C=CCN1CC[C@@H](NC(=O)CC2CS(=O)(=O)C2)[C@@H](O)C1 1090373932 KHJYDDMYVHGCMW-NEPJUHHUSA-N 302.396 -0.842 30 20 DBED CC(C)OCCC(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1O 1090397085 JVURHOSTVODZFB-VXGBXAGGSA-N 319.365 -0.171 30 20 DBED CCc1nnc(N2C[C@@H](O)[C@H](NC(=O)[C@H](C)C#N)C2)nc1CC 1090404904 YSSWMARVUUFRDL-OASPWFOLSA-N 318.381 -0.178 30 20 DBED COc1cc(C)nc(N2C[C@H](O)[C@H](NC(=O)C#CC3CC3)C2)n1 1091098111 YFWDMFUPKLLLTH-OLZOCXBDSA-N 316.361 -0.127 30 20 DBED CC(=O)N1CCOC[C@@H]1C(=O)N1C[C@H]2CN(CC#N)C[C@@]2(C)C1 1092287646 GGVCLODXPADUKA-FMKPAKJESA-N 320.393 -0.462 30 20 DBED N#Cc1cnc(NCCNC(=O)C[C@H]2CCC(=O)NC2)cn1 1093924056 DXNXKUWEPRZESU-SNVBAGLBSA-N 302.338 -0.207 30 20 DBED N#Cc1ccc(NCCNC(=O)c2cc(C(N)=O)co2)nn1 1094136636 VJBQFGANTPPJAK-UHFFFAOYSA-N 300.278 -0.118 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)[C@@H]3CCCN3C)CC2=O)C1 1094714114 PLTJSTJSYOAKFH-OCCSQVGLSA-N 304.394 -0.885 30 20 DBED Cn1cc(C(=O)NCCCNc2nccnc2C#N)ncc1=O 1094902782 FSKGWVYAKKJXCB-UHFFFAOYSA-N 313.321 -0.326 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](Nc2nccnc2F)C1 1095036339 FJSOJIHWETVCCK-SNVBAGLBSA-N 305.313 -0.232 30 20 DBED CN(CCCNC(=O)[C@@H]1CCC(=O)N1)c1cnc(C#N)cn1 1095597631 USQGGWWGGFUNFJ-NSHDSACASA-N 302.338 -0.431 30 20 DBED CCN(CCCNC(=O)c1nnn(C)n1)c1ccnc(C#N)n1 1095945219 MDRAGXOCZJFRDT-UHFFFAOYSA-N 315.341 -0.482 30 20 DBED CCC(=O)N[C@H](C)C(=O)N[C@H]1CCN(c2ccc(C#N)nn2)C1 1096493872 CTHCGHPBUSTQJQ-PWSUYJOCSA-N 316.365 -0.042 30 20 DBED C[C@@H](C(=O)N[C@@H]1CCN(c2nccnc2C#N)C1)S(C)(=O)=O 1096502751 UZSFHUAMUVKEJS-VHSXEESVSA-N 323.378 -0.524 30 20 DBED Cn1nnc(C(=O)NC[C@H](Nc2nccnc2C#N)C2CC2)n1 1096787310 AWFQARVCIAIYCP-JTQLQIEISA-N 313.325 -0.508 30 20 DBED CC(=O)NCC(=O)NC[C@H]1CCCN(c2ccnc(C#N)n2)C1 1097267394 WZJMBQDDYFTLCZ-GFCCVEGCSA-N 316.365 -0.183 30 20 DBED C[C@@H](NC(=O)CC(N)=O)[C@H]1CCCN(c2nccnc2C#N)C1 1097516293 BPXKMKANLWQIHD-MNOVXSKESA-N 316.365 -0.055 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@H](C)N=c1cc[nH]c(C(=O)OC)n1 1097793896 HBDMZQBYEGVMBP-BMIGLBTASA-N 322.365 -0.071 30 20 DBED C[C@H](CNC(=O)[C@@H]1CCCN1C(N)=O)Nc1nccnc1C#N 1097918786 BJWCDHHYUDKYAN-KOLCDFICSA-N 317.353 -0.192 30 20 DBED C#CCN(CCO)C1CCN(C(=O)COc2cnn(C)c2)CC1 1098461111 XGRVXPUGQSFFIP-UHFFFAOYSA-N 320.393 -0.283 30 20 DBED C=CCCCCCN1CC[C@H](NC(=O)CNC(N)=O)[C@@H](O)C1 1099665754 LRXXPEGVPSWXBC-STQMWFEESA-N 312.414 -0.048 30 20 DBED CC(C)CS(=O)(=O)CC(=O)N[C@H]1CCN(CC#N)C[C@@H]1O 1099894818 QNNRCSNLYYDPRN-RYUDHWBXSA-N 317.411 -0.868 30 20 DBED C#CCN1CC[C@@H](NC(=O)CCCCN2CCOCC2)[C@@H](O)C1 1100033470 FQUVGKUMRMIMCK-CVEARBPZSA-N 323.437 -0.327 30 20 DBED CCn1cnc(C(=O)N[C@H]2CCN(CC#CCOC)C[C@@H]2O)c1 1100074514 OTSYZVIXAQVDRH-ZFWWWQNUSA-N 320.393 -0.282 30 20 DBED CC(=O)N1CC(C(=O)NCCN(C)c2ccc(C#N)nn2)C1 1100077411 FJXVRTCGRMHXHR-UHFFFAOYSA-N 302.338 -0.621 30 20 DBED C#CCCCC(=O)NCC1CC(NCc2nc(=O)n(C)[nH]2)C1 1100283599 QGTALGIIIZJUCQ-UHFFFAOYSA-N 305.382 -0.104 30 20 DBED CCN(CCNC(=O)C[C@H]1CCC(=O)N1)c1nccnc1C#N 1100568376 DWLWULUMLATMQN-LLVKDONJSA-N 316.365 -0.041 30 20 DBED N#Cc1nccnc1N1CC[C@H](CNC(=O)CCCC(N)=O)C1 1100987935 AQILUCUYXDXAAG-LLVKDONJSA-N 316.365 -0.054 30 20 DBED N#Cc1ccc(N(CCNC(=O)[C@H]2COCCO2)C2CC2)nn1 1101285745 UEGMAWXYEUIXNX-CYBMUJFWSA-N 317.349 -0.151 30 20 DBED C[C@@H](CC(=O)NC[C@H](C)CNc1ccc(C#N)nn1)NC(N)=O 1104098892 GGINYCOSYRFBID-ZJUUUORDSA-N 319.369 -0.041 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CN(c2ccnc(C#N)n2)CCO1 1104301888 MMQBWQCMSGBDES-WDEREUQCSA-N 300.322 -0.171 30 20 DBED C[C@@H](CNc1cnc(C#N)cn1)N(C)C(=O)CN1CCOCC1 1104526836 HVCWHFYSEOARSO-LBPRGKRZSA-N 318.381 -0.061 30 20 DBED C#CCNCc1cn(C2CN(C(=O)Cc3cncn3C)C2)nn1 1105361118 RGXDYIONZMQUFX-UHFFFAOYSA-N 313.365 -0.640 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC(OC2CN(CCO)C2)CC1 1105708588 PJXGQPPPVNTKFB-CYBMUJFWSA-N 310.394 -0.291 30 20 DBED N#Cc1cncc(NC[C@H](O)CNC(=O)CC2OCCCO2)n1 1105810259 QQNMJFBNYXCYGI-NSHDSACASA-N 321.337 -0.610 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H](O)CNc1nccnc1C#N 1105970427 HNUZICFJGQSNTH-MNOVXSKESA-N 303.322 -0.724 30 20 DBED N#Cc1nccnc1NC[C@@H](O)CNC(=O)CO[C@@H]1CCOC1 1105972381 IKKIQAGEFXTMRW-WDEREUQCSA-N 321.337 -0.957 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H](O)CNc1nc(C)ns1 1106153842 ATKXFSOATGVHHC-RYUDHWBXSA-N 323.422 -0.167 30 20 DBED C=CCC(C)(C)C(=O)NCc1cn(C2CN(CC(N)=O)C2)nn1 1107214092 OELWMSSNGWMLOT-UHFFFAOYSA-N 320.397 -0.161 30 20 DBED C[C@H](CN=c1cc[nH]cc1C#N)NC(=O)[C@@H]1CCN(C)C1=O 1108071522 JRIVXXZUZMXGFW-PWSUYJOCSA-N 301.350 -0.230 30 20 DBED CC(F)(F)CC(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1 1108572219 POZWOXMYUMZMQC-SECBINFHSA-N 300.309 -0.043 30 20 DBED CC#CCN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CS(=O)(=O)NC)C2 1108826253 DOBKSLIMUYMOIN-AVGNSLFASA-N 313.423 -0.472 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCOCCO 1109266780 FKCSYTNRVUHFTN-KBXIAJHMSA-N 310.394 -0.245 30 20 DBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C(C)(C)C(N)=O 1109425237 NAEOPPALGNTFPQ-WOPDTQHZSA-N 322.409 -0.478 30 20 DBED N#Cc1ccc(NC[C@@H](NC(=O)Cn2cncn2)C2CC2)nn1 1109848318 DUCCCRHJKVAZCY-GFCCVEGCSA-N 312.337 -0.053 30 20 DBED N#Cc1cnc(NC2(CNC(=O)[C@H]3CCCNC3=O)CC2)cn1 1110257553 ZSMXJHVASUPTCA-NSHDSACASA-N 314.349 -0.065 30 20 DBED CN1CC[C@@H](C(=O)NCC2(Nc3ccnc(C#N)n3)CC2)C1=O 1110307300 URACHFXJHPESON-JTQLQIEISA-N 314.349 -0.113 30 20 DBED C#CCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)COC 1110550630 XUBWWWAJFGEIQO-TUVASFSCSA-N 310.394 -0.245 30 20 DBED CSCC(=O)NC[C@@]1(O)CCN(c2ccc(C#N)nn2)C1 1111031687 KBOKIIUASCZSMZ-ZDUSSCGKSA-N 307.379 -0.231 30 20 DBED C=CCOCCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCNC(N)=O 1111378532 YQUSHBFMZRJIHY-UPJWGTAASA-N 310.398 -0.031 30 20 DBED Cn1ncc(C(=O)N(CCO)CCNc2cnc(C#N)cn2)n1 1111484476 COQNAVMSXSFGGV-UHFFFAOYSA-N 316.325 -0.977 30 20 DBED C#CCNC[C@]12CCC[C@H]1CN(C(=O)CN(C)C(=O)COC)C2 1112382149 IASVMGVBGRWGLB-YOEHRIQHSA-N 321.421 -0.057 30 20 DBED CNC(=O)CC(=O)N[C@H]1CCN(c2ccnc(C#N)n2)C[C@H]1C 1112401153 XKWBHKWTZNUVAL-MNOVXSKESA-N 316.365 -0.185 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)c2nnn(C)c2C)CC1 1112738511 HYGXYQJIFVDHAG-LBPRGKRZSA-N 320.397 -0.428 30 20 DBED CC(C)n1nccc1C(=O)N1CCN(CC(=O)NCC#N)CC1 1112886030 XLRZYFUOTKNHBE-UHFFFAOYSA-N 318.381 -0.138 30 20 DBED C[C@H](N=c1cc[nH]c(C#N)n1)[C@H](C)NC(=O)c1cnn(C)c1N 1112980981 KSHSMKOXWVEPLW-IUCAKERBSA-N 314.353 -0.295 30 20 DBED C[C@H](CNC(=O)c1cn(C)nn1)N(C)c1cnc(C#N)cn1 1113581655 ZBICRXZVPHHNEV-SECBINFHSA-N 300.326 -0.269 30 20 DBED C[C@H](CNC(=O)C(C)(C)C(N)=O)N(C)c1ccc(C#N)nn1 1113741508 UTCUZQPILCLXSF-SECBINFHSA-N 304.354 -0.199 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1C[C@H]2C(NC(=O)CC)[C@@H]2C1 1113759425 DPXVTTMIWQZMOL-HBNTYKKESA-N 308.382 -0.157 30 20 DBED C[C@@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)N(C)c1cncc(C#N)n1 1113882262 SAUOJVYPFAGUIW-GDPRMGEGSA-N 302.338 -0.589 30 20 DBED CC(C)OCCC(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1113903657 BEZOGOHOQXQUGY-JYAVWHMHSA-N 308.382 -0.512 30 20 DBED C[C@H](C(=O)NC1[C@H]2CN(CC(=O)NCC#N)C[C@H]12)n1cccc1 1114143813 UOVSVWRDRDKSHG-AGIUHOORSA-N 315.377 -0.265 30 20 DBED C#CCOCCC(=O)NC1[C@@H]2CN(Cc3cnnn3CC)C[C@@H]12 1114265460 FFVGRAAEDHVNAI-ZIAGYGMSSA-N 317.393 -0.116 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)[C@@H](CC)N(C)C)[C@@H]2C1 1114463759 LKNYTOJYOTZHLZ-JHJVBQTASA-N 306.410 -0.878 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1[C@H]2CN(CCOCCO)C[C@H]12 1114857053 QGQCEQYZMPGZBR-RFGFWPKPSA-N 310.394 -0.367 30 20 DBED CC#CCN1C[C@H]2C(NC(=O)CC[C@@H]3NC(=O)NC3=O)[C@@H]2C1 1115215872 AUEGNVCXAXXOEV-MXWKQRLJSA-N 304.350 -0.956 30 20 DBED C[C@@H](CN(C)C(=O)[C@@H]1CCN(C)C1)N=c1cc[nH]c(C#N)n1 1115739553 HRCOMTFOVSOLSH-NWDGAFQWSA-N 302.382 -0.019 30 20 DBED N#CCCCNC(=O)C(=O)Nc1cccc(OCC(N)=O)c1 1116558575 ADFYIIRLXGBDED-UHFFFAOYSA-N 304.306 -0.091 30 20 DBED C[C@@H](CN1CCOCC1)NC(=O)C(=O)N1CC[C@@](F)(C#N)C1 1117038587 ZZNMPXMWAYHRKZ-SMDDNHRTSA-N 312.345 -0.713 30 20 DBED COCCOCCCCNC(=O)C(=O)N1CCO[C@@H](C#N)C1 1117157961 ZWSBDDOYOKZIQR-LBPRGKRZSA-N 313.354 -0.703 30 20 DBED C[C@@H]1CN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)C[C@@H](C2CC2)O1 1118249691 QHXMQKVAHIIQLJ-PVXIVEMSSA-N 321.377 -0.111 30 20 DBED C[C@@H](CN(C)C(=O)C[C@H](C)NC(N)=O)N=c1cc[nH]c(C#N)n1 1120119023 YBSFHQVQMROEBS-UWVGGRQHSA-N 319.369 -0.524 30 20 DBED C[C@@H](CN(C)C(=O)[C@H]1CN(C)C(=O)N1)Nc1cnc(C#N)cn1 1120406558 CWBHEOQNDIEFCF-GXSJLCMTSA-N 317.353 -0.369 30 20 DBED Cn1cc(C(=O)NC[C@@H](CO)Nc2ccc(C#N)nc2)cn1 1121025153 PCQRFJWUFIHMBL-ZDUSSCGKSA-N 300.322 -0.110 30 20 DBED C[C@@](O)(CC(=O)NC[C@H](CO)N=c1cc[nH]cc1C#N)C1CC1 1121340476 XWMATKHISOBSHH-CZUORRHYSA-N 318.377 -0.185 30 20 DBED C=CCCCC(=O)NC[C@H](CO)Nc1ccc2nnnn2n1 1122508168 JYEDZBHHGMNSJB-SNVBAGLBSA-N 305.342 -0.235 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](CO)Nc1nccc(OC)n1 1122584444 HYTZBFCRGNYAQS-UTUOFQBUSA-N 322.365 -0.035 30 20 DBED Cc1ccn(CC(=O)NC[C@@H](CO)Nc2cnc(C#N)cn2)n1 1122595250 ZSCRADVQRZPFHT-LBPRGKRZSA-N 315.337 -0.558 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)[C@H](CC)OCC 1124387472 UHWWEYVQJNEJHU-NSHDSACASA-N 314.386 -0.481 30 20 DBED CO[C@@H](C)C(=O)N(C)C[C@@H](O)CN(C)c1cncc(C#N)n1 1124958372 SDJTUHSRQGKVKS-JQWIXIFHSA-N 307.354 -0.361 30 20 DBED N#Cc1ccc(C(=O)NCCNCC(=O)NC(=O)NC2CC2)[nH]1 1125776208 IXDZQIPNZMAUPX-UHFFFAOYSA-N 318.337 -0.806 30 20 DBED CN(CCNCCNC(=O)c1ccc(C#N)[nH]1)S(C)(=O)=O 1125776745 XSBWYNUNSMKWGC-UHFFFAOYSA-N 313.383 -0.903 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)c1cc[nH]c1CC 1126614180 MMRKODNKYABCBS-UHFFFAOYSA-N 321.381 -0.092 30 20 DBED CC(C)(C)NC(=O)NC(=O)CNCCNC(=O)C#CC1CC1 1126881735 ZAHQCBYHDKRBDO-UHFFFAOYSA-N 308.382 -0.270 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)c1cncc2nc[nH]c12 1127797994 VJWDTPVLXWYYHM-SNVBAGLBSA-N 316.365 -0.032 30 20 DBED C[C@@H]1CCn2cc(C(=O)NCCNCC(=O)NCC#N)nc2C1 1130227150 OBAFKCOAMOXUJD-LLVKDONJSA-N 318.381 -0.575 30 20 DBED N#CCSCC(=O)N1C[C@H]2C[C@@H]3CN(CCO)C[C@]2(C1)O3 1131194043 JRCITQDOGLCNPV-YRGRVCCFSA-N 311.407 -0.463 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)[C@H](C)NC(=O)CC)C[C@@]3(C1)O2 1131229865 BBKPTMQNDMSYME-ZOMKSWQUSA-N 319.405 -0.164 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)Cc1cc(C)nn1C 1131287063 MAJKSOBFJKCRER-LBPRGKRZSA-N 307.398 -0.332 30 20 DBED C=CCCCCCN1CCNC(=O)CCN(C(=O)C(N)=O)CC1 1131376652 DKZBYSVGWBXYGC-UHFFFAOYSA-N 324.425 -0.131 30 20 DBED C=CCOCC(=O)N1C[C@H](C)O[C@]2(CCN(CC(N)=O)C2)C1 1131645590 HOTJNLJEXOQLIR-WFASDCNBSA-N 311.382 -0.634 30 20 DBED C=C[C@@](C)(CCOC)C(=O)NCCNCCN1CCNC1=O 1131870315 PSRNDYVFYRUING-HNNXBMFYSA-N 312.414 -0.054 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)Cc1ccnn1C 1134224126 PPCIBGCFMLTRGS-STQMWFEESA-N 319.409 -0.415 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)NCCNCc1n[nH]c(C)n1 1134816947 JVZWHAKVLHLIGO-GFCCVEGCSA-N 308.386 -0.210 30 20 DBED COCc1ccccc1CC(=O)NCCNCC(=O)NCC#N 1135147247 GCLCOIKJSHKZRA-UHFFFAOYSA-N 318.377 -0.279 30 20 DBED C=C(Cl)CNCCNC(=O)C1CC2(C1)NC(=O)NC2=O 1135154968 JXQVILRNCQQKTJ-UHFFFAOYSA-N 300.746 -0.567 30 20 DBED N#CCNC(=O)CNCCNC(=O)C1CC2(CCOCC2)C1 1147726522 XVFANJACBDGNRE-UHFFFAOYSA-N 308.382 -0.461 30 20 DBED N#CCNC(=O)CN1CCC2(C1)CN(C(=O)c1cc(F)c[nH]1)C2 1147905914 RHFAGQRTHSXFCJ-UHFFFAOYSA-N 319.340 -0.059 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)CCCC(=O)NCC)C1=O 1148190902 HWNPROSODLMMJD-CYBMUJFWSA-N 324.425 -0.215 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1cncnc1CC 1151258631 FRYLVJTZPYYEPT-NSHDSACASA-N 303.366 -0.504 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@H]1Cc2cccc(C)c2O1 1153940679 DITDBMYQNWQDLJ-CQSZACIVSA-N 315.373 -0.246 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)c2cnnn2CC)C1=O 1157539416 GHVMSZHXWUJDBN-GFCCVEGCSA-N 320.397 -0.206 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)Cc1cn(CC)nn1 1162999630 AXCWNTSWVBCFEL-GFCCVEGCSA-N 320.397 -0.926 30 20 DBED C=CCn1cc(C(=O)NCCCNCC(=O)N(C)C2CC2)nn1 1167839168 VXTALJVHAIHWTO-UHFFFAOYSA-N 320.397 -0.206 30 20 DBED COCC#CCNCCCNC(=O)c1cccnc1C(N)=O 1176772891 MSCBZZRNFXPAAD-UHFFFAOYSA-N 304.350 -0.460 30 20 DBED C=CCOCC(=O)N1CC[C@H](NCc2nc(=O)n(C)[nH]2)[C@@H]1C 1178338829 LCQTXSGPSNSTOG-QWRGUYRKSA-N 309.370 -0.610 30 20 DBED CC#CCNCCCCCCNC(=O)CN1CCNC(=O)C1 1179219220 HZCQUBGIAVROFD-UHFFFAOYSA-N 308.426 -0.292 30 20 DBED Cc1cnc(C(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)cn1 1180756584 MRZHAVRGXKJMCR-LLVKDONJSA-N 302.338 -0.771 30 20 DBED C#CCNC[C@]1(C)CN(C(=O)c2cn(CC(N)=O)nn2)C[C@H]1C 1183516871 BYXVMFUJONWYKI-IAQYHMDHSA-N 318.381 -0.916 30 20 DBED C#CCNC[C@H]1CCN(C(=O)Cn2ccc(O)nc2=O)C[C@H]1C 1184747819 PDUYIVZTNNFZRY-CHWSQXEVSA-N 318.377 -0.344 30 20 DBED C#CCNC[C@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C[C@@H]1C 1185283167 NWHASNVJPWXEGI-NWDGAFQWSA-N 305.378 -0.253 30 20 DBED N#CCNC(=O)CN1C[C@@H]2CCN(C(=O)[C@H]3CCOC3)[C@@H]2C1 1187101471 MHSLGLNXSKRARK-RWMBFGLXSA-N 306.366 -0.805 30 20 DBED C=CCC[C@H](C)N1C[C@@H](O)[C@H](NC(=O)CCS(C)(=O)=O)C1 1194184552 IJFDAOFHEJVZAH-YNEHKIRRSA-N 318.439 -0.063 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)[C@@H](C)NC(C)=O)CC1 1194754793 OOXLISQLMTXFTE-GFCCVEGCSA-N 310.398 -0.653 30 20 DBED N#CCNC(=O)CN1CCCN(C(=O)[C@H]2CCCOC2)CC1 1195182872 YBKWBJUGXSEYMR-ZDUSSCGKSA-N 308.382 -0.413 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(C[C@@H]2CCCOC2)C[C@H]1C 1206887212 BFFGUJDLBRTEQB-QLFBSQMISA-N 321.421 -0.011 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)CNC(=O)CCC)C1 1207571187 WPFKZIAPBIUJBM-CYBMUJFWSA-N 322.409 -0.767 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCN(C(=O)c2cncnc2)C1 1207869050 CETHFKPLQVUWFK-GFCCVEGCSA-N 302.338 -0.689 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)c1ccncn1 1209605747 DDUMVEJOIOWILB-ZYHUDNBSSA-N 302.338 -0.834 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 1209641339 ISMLRFXCGMQFBW-CABCVRRESA-N 320.437 -0.342 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)c2nc[nH]n2)C1 1210205958 IDDLKSRKGVNIBB-GHMZBOCLSA-N 304.354 -0.863 30 20 DBED COCC#CCN1C[C@@H](NC(=O)C[C@H]2CCC(=O)N2)[C@H](OC)C1 1213562008 YWERPBGUNMNZHW-MGPQQGTHSA-N 323.393 -0.880 30 20 DBED CCN1CCOC[C@@H]1C(=O)N1C[C@@H](NCC#CCOC)[C@H](C)C1 1215020538 WIBMPMCDBIPKAN-BZUAXINKSA-N 323.437 -0.207 30 20 DBED C=CCOCCN[C@@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@H]1C 1215303075 OVPLOCLKFRNMMF-ZIAGYGMSSA-N 324.425 -0.943 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)C[C@@H](C)NC(N)=O 1217886117 CEQKTSQUJWDGMT-FRRDWIJNSA-N 308.382 -0.632 30 20 DBED Cc1nc(CN2C[C@H](O)[C@H](NC(=O)CSCC#N)C2)n[nH]1 1219216588 QJUNEMPTVBHDMA-ZJUUUORDSA-N 310.383 -0.969 30 20 DBED C=CCC[C@H](C)N1C[C@H](O)[C@H](NC(=O)CS(C)(=O)=O)C1 1219302195 FFCQMDLKVAFZCD-TUAOUCFPSA-N 304.412 -0.453 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)C2(C(C)C)CC2)C1 1220323501 YIWUWLPEAHZHOP-MJBXVCDLSA-N 321.421 -0.278 30 20 DBED C=CCNC(=O)CN1CC[C@@H]2CN(C(=O)CNC(=O)OC)[C@@H]2C1 1221319846 LEVZAOSLJHYXJM-VXGBXAGGSA-N 324.381 -0.823 30 20 DBED COCC#CCN1CC[C@@H]2CCN(C(=O)[C@@H]3COCCO3)C[C@@H]21 1222283941 MEVUHLSBAPUNTQ-PMPSAXMXSA-N 322.405 -0.026 30 20 DBED C#CCCN[C@@H]1CCCC[C@H]1NC(=O)CS(=O)(=O)NC 1230174783 LADMYEJJRPRVPB-VXGBXAGGSA-N 301.412 -0.424 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)c1cnc(C)cn1 1230645833 ADFHUCNCJVDVJG-CYBMUJFWSA-N 315.377 -0.319 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N(C)CCCNC(=O)COC 1230960869 UXVIAALHAGSAPZ-LLVKDONJSA-N 314.386 -0.529 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)Cc1cnn(C)c1 1231162352 RYIHSGCAFCKLGP-CQSZACIVSA-N 317.393 -0.755 30 20 DBED N#Cc1ccsc1NC(=O)C(=O)N[C@@H]1CCS(=O)(=O)C1 1317878606 LSEHKZIQYXRQCW-MRVPVSSYSA-N 313.360 -0.138 30 20 DBED C#CCCCCNC(=O)C(=O)Nc1cnn(CC(=O)NC)c1 1319438614 IMRRSUTVXTWWDP-UHFFFAOYSA-N 305.338 -0.513 30 20 DBED CC(C)(C#N)NC(=O)COCCOCC(=O)NC(C)(C)C#N 1319611448 MZHOJGSJIQRCPH-UHFFFAOYSA-N 310.354 -0.144 30 20 DBED C=CCNC(=O)CNC(=O)N[C@H]1CCc2nc(COC)nn2C1 1320108624 MUWQZYZCXMRKHL-JTQLQIEISA-N 322.369 -0.659 30 20 DBED C#C[C@H](NC(=O)N1CCC(OCC(N)=O)CC1)[C@H]1CCCO1 1321361188 VCDOWDYSWJFJLP-QWHCGFSZSA-N 309.366 -0.157 30 20 DBED CS(=O)(=O)NCCNC(=S)Nc1ccn(CCC#N)n1 1321910247 MVERUKKHJVMWOW-UHFFFAOYSA-N 316.412 -0.368 30 20 DBED C#CCOCCC(=O)N1CCN(c2cnc(O)nc2N)CC1 1322538221 XKISSYCQLXPLGL-UHFFFAOYSA-N 305.338 -0.547 30 20 DBED CC(=O)c1cc(NC(=O)C(=O)NCC(=O)NCC#N)ccc1F 1323809328 NXOASDXFPUEXJB-UHFFFAOYSA-N 320.280 -0.277 30 20 DBED CC#CCN(C)C(=O)C(=O)N1CCN(CC(C)(C)O)[C@H](C)C1 1325031972 OSDTWOKDWRBDMA-CYBMUJFWSA-N 309.410 -0.228 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)Nc1ccc(-n2nccn2)nc1 1325616079 UHNLCEDQUXKGIH-SNVBAGLBSA-N 316.321 -0.082 30 20 DBED C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1326107756 NFFOSYBMNNRJJF-CJNGLKHVSA-N 322.409 -0.146 30 20 DBED C#CC1CCN(C(=O)C(=O)NC[C@@H](C)CN2CCOCC2)CC1 1326120355 JJPNCRYEJNOVKY-CQSZACIVSA-N 321.421 -0.057 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@H](CNC)C2)C1=O 1326308409 ACTKVCQKWGAICU-JTQLQIEISA-N 308.338 -0.969 30 20 DBED C#CCOCCNC(=O)C(=O)NC[C@@H]1CC(=O)N(C(C)(C)C)C1 1328392305 FMJFNSBFNPQOMP-LBPRGKRZSA-N 323.393 -0.484 30 20 DBED C[C@@H](NC(=O)C(=O)N1CC[C@](O)(CC#N)C1)c1cnn(C)c1 1329330069 DVULWDRWJCTNRQ-QMTHXVAHSA-N 305.338 -0.526 30 20 DBED CN(CC(=O)N1CCCC1)C(=O)C(=O)N1CC[C@@](F)(C#N)C1 1329706282 ZXAIKURJNZNNDF-CQSZACIVSA-N 310.329 -0.469 30 20 DBED CN(CC1(C)COC1)C(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1329830479 DDFBZWPIDVZWQH-ZDUSSCGKSA-N 320.393 -0.320 30 20 DBED CN(CCOCCC#N)CC(=O)N[C@H]1CCS(=O)(=O)C1 1330332849 BHGYMABFDLTHDG-NSHDSACASA-N 303.384 -0.848 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CC[C@@H](C)[C@@H](CO)C2)nn1 1331085641 NQZOWDUUOIPZIV-VXGBXAGGSA-N 321.381 -0.443 30 20 DBED C=CCC1(O)CCN(C(=O)c2cn(CC(=O)N(C)C)nn2)CC1 1332376024 YYMGIEIGXSQJED-UHFFFAOYSA-N 321.381 -0.091 30 20 DBED C=CCN(C(=O)C(=O)NC[C@H]1CNCCCO1)[C@@H](C)COC 1333547379 DXMJCRRWCBKMPF-QWHCGFSZSA-N 313.398 -0.469 30 20 DBED C=CC1CCN(C(=O)C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 1335345385 ZVJKOUHKMFJMTP-LLVKDONJSA-N 300.380 -0.286 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N[C@H]1CCCN(C(=O)OC)C1 1341146633 AFBYRZHINDFWTH-MNOVXSKESA-N 313.354 -0.349 30 20 DBED C[S@](=O)C1(CNC(=O)C(=O)N2CC[C@@](F)(C#N)C2)CC1 1343470867 NENUTXOHYCFOOU-GIPWTMENSA-N 301.343 -0.522 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)NCc1c(O)nnc(C)c1C 1346208073 UYKIGNOAVSSXFH-UHFFFAOYSA-N 314.345 -0.100 30 20 DBED Cc1cnn(CCC(=O)NCCn2cc(C#N)c(O)nc2=O)c1 1363289322 XAJWUAFSRUGFRX-UHFFFAOYSA-N 316.321 -0.468 30 20 DBED CC(C)(C#N)CS(=O)(=O)NC[C@@]1(O)CCS(=O)(=O)C1 1363861901 NFFQNJOAXAEOAB-JTQLQIEISA-N 310.397 -0.995 30 20 DBED CC[C@@H](CNS(C)(=O)=O)NC(=O)N1CCO[C@H](C#N)C1 1370103500 IQFSNOUKCOZKLU-VHSXEESVSA-N 304.372 -0.752 30 20 DBED C[C@H](CNC(=O)Cn1cncn1)NC(=O)c1cc(C#N)c[nH]1 1376834871 UBDTWRJHOUSEHQ-SECBINFHSA-N 301.310 -0.587 30 20 DBED C[C@@H](C#N)C(=O)NC1CN(CC(=O)NCc2cccnc2)C1 1377867190 BBXYLVVDTVQHHN-NSHDSACASA-N 301.350 -0.342 30 20 DBED CNC(=O)NCCC(=O)N1CCC[C@@H]1CN(C)C(=O)[C@H](C)C#N 1380226980 GVXXPTFTIPUMQW-VXGBXAGGSA-N 323.397 -0.085 30 20 DBED C[C@H](CN(C)C(=O)[C@@H]1CCC(=O)N1)NC(=O)c1c[nH]c(C#N)c1 1382131960 JRLBACMAFGAIMR-SKDRFNHKSA-N 317.349 -0.258 30 20 DBED C[C@H](CNC(=O)c1ccc(C#N)[nH]1)NC(=O)Cn1cncn1 1386222720 AQTGHJRHYGODPT-SECBINFHSA-N 301.310 -0.587 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)c2ccoc2CC(N)=O)CC1 1400657674 WFUNQCZRVXBKDJ-SECBINFHSA-N 318.333 -0.154 30 20 DBED CCN(C)C(=O)CNCC1(O)CCN(C(=O)[C@H](C)C#N)CC1 1402806278 VHPUKIYSYWQZEE-GFCCVEGCSA-N 310.398 -0.433 30 20 DBED CN(CC(=O)NCc1ccco1)c1[nH]c(=O)n(C)c(=O)c1C#N 1413880441 CSPXALBPDUWIQC-UHFFFAOYSA-N 317.305 -0.709 30 20 DBED CSc1nc(O)cc(CNC(=O)Cn2cnc(C#N)n2)n1 1418215826 VUAJTOAUJJBRTI-UHFFFAOYSA-N 305.323 -0.316 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1C[C@@H](NC(=O)c2cc(=O)n(C)cn2)C1 1429122179 YYIUQUSNQRBTKI-GARJFASQSA-N 317.349 -0.435 30 20 DBED Cn1ccc(CNC(=O)CCn2cc(C#N)c(O)nc2=O)n1 1433874010 HCWSMNZAPVOTTD-UHFFFAOYSA-N 302.294 -0.739 30 20 DBED N#CCc1ccnc(NC(=O)N2CCN(S(N)(=O)=O)CC2)c1 1434742922 YTNJHJOAZMIXFT-UHFFFAOYSA-N 324.366 -0.499 30 20 DBED CCn1cc(CC(=O)NC[C@H](O)CNC(=O)[C@@H](C)C#N)cn1 1452404234 FYRBZRNFDQHSLZ-JQWIXIFHSA-N 307.354 -0.802 30 20 DBED COC(=O)[C@](C)(CO)NC(=O)COc1ccc(C#N)cc1OC 1468886444 RSJGPAYKRJZHQY-HNNXBMFYSA-N 322.317 -0.014 30 20 DBED CCn1nc(C(=O)NCCN(C)C(=O)[C@H](C)C#N)ccc1=O 1496400701 NUKPNJDGIXPOAV-SNVBAGLBSA-N 305.338 -0.389 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1525150704 KWDPQRVUCYEPJI-LQSBQDLSSA-N 321.377 -0.039 30 20 DBED Cc1nnc(N2CCN3CCOC[C@@]3(CO)C2)c(C#N)c1C 1548462351 PWDLNOFYQTYXOJ-HNNXBMFYSA-N 303.366 -0.152 30 20 DBED C#CCN(C)c1nnc([C@@H]2CCCNC2)n1Cc1ncn(C)n1 1574604288 KLBBHGIDPMXSTK-GFCCVEGCSA-N 314.397 -0.009 30 20 DBED C#CCNC(=O)C1CCN(C(=O)[C@@]2(C)C[C@@H](N)CCO2)CC1 1574706870 IXRNXXLVNBNGTM-XJKSGUPXSA-N 307.394 -0.129 30 20 DBED C=CC[C@H](NC(=O)CCNC(=O)[C@@H]1CCCN1)C(=O)OCC 1574889096 KXQYHAPLDIFGRV-RYUDHWBXSA-N 311.382 -0.131 30 20 DBED N#Cc1nc(NCCN2CCSCC2)cnc1-c1nn[nH]n1 1581880233 DDACBZFJGAYLBL-UHFFFAOYSA-N 317.382 -0.011 30 20 DBED C#CC[C@@H](COC)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cn1 1588333864 GVUVRLYFJIXJBO-JTQLQIEISA-N 322.350 -0.422 30 20 DBED C=C(CCC(=O)O)C(=O)N1CC[C@H](CNS(C)(=O)=O)C1 1588614665 ZFIPXCPOWGWZRO-SNVBAGLBSA-N 304.368 -0.195 30 20 DBED C=CCOCC(=O)NCCNc1ccc(-c2nn[nH]n2)nn1 1588676459 WGMSTKFSUAZXGC-UHFFFAOYSA-N 304.314 -0.613 30 20 DBED Cn1nccc1[C@@H](O)CNc1cnc(-c2nn[nH]n2)c(C#N)n1 1592604280 TZUFVXONMLYPSZ-VIFPVBQESA-N 312.297 -0.593 30 20 DBED N#CCCCS(=O)(=O)NCc1ccc(-c2nn[nH]n2)cn1 1592676188 DVZKILUHOXMNDW-UHFFFAOYSA-N 307.339 -0.015 30 20 DBED COC(=O)[C@@H]1CCN(C(=O)Cn2cnc(C#N)n2)[C@@H](C(=O)O)C1 1598794950 STRFPJKPSQCXHS-RKDXNWHRSA-N 321.293 -0.985 30 20 DBED C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C#N)C2)C[C@@H](C(=O)O)O1 1599850317 ZWEKNLCENIVHED-VWYCJHECSA-N 309.322 -0.551 30 20 DBED C#CC[C@H](CO)NS(=O)(=O)Cc1cccc(-c2nn[nH]n2)c1 1602698086 YLESTZAZNHSDDI-GFCCVEGCSA-N 321.362 -0.330 30 20 DBED C[C@H](Nc1cnn(CC(=O)NCCO)c1)C(=O)N(C)CCC#N 1649753955 RUGSMRVGQIYEDP-NSHDSACASA-N 322.369 -0.836 30 20 DBED C[C@H](O)c1cn(C2CN(S(=O)(=O)N(C)CCC#N)C2)nn1 1649757983 AKKSUJWGRQRCJM-VIFPVBQESA-N 314.371 -0.722 30 20 DBED C=CCNC(=O)CN1CCC[C@@H](CNC(=O)[C@@H](C)CC(N)=O)C1 1752784834 KMQUXSSROQNNFJ-STQMWFEESA-N 324.425 -0.372 30 20 DBED C#CCNC(=O)CN(CC)CCNC(=O)CC1CCOCC1 1753079159 BQGRJRVBIVGUPM-UHFFFAOYSA-N 309.410 -0.009 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@@H](N(C)C(=O)Cc2cnoc2)C1 1753441118 CEXOFFAQLMIMEA-GXTWGEPZSA-N 318.377 -0.112 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H]1CC[C@H](NCc2nnn(C)n2)CC1 1753580990 ZLUFDFBRQKCLML-JHJVBQTASA-N 320.397 -0.235 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H](C)CNCC(=O)NCC#N 1753713769 MIUZUCSDTXZNST-UPJWGTAASA-N 308.382 -0.346 30 20 DBED C#CCNC[C@H](O)CNC(=O)C1(S(C)(=O)=O)CCCC1 1753930904 MZJWVCYCYFQEQN-NSHDSACASA-N 302.396 -0.956 30 20 DBED C=CCn1cc(C(=O)NC/C=C/CN[C@H](C)C(=O)NC)nn1 1754183160 YHPZKZISKRKFDW-MVIFTORASA-N 306.370 -0.526 30 20 DBED COCC#CCN[C@H]1CCN(C(=O)Cc2nc[nH]n2)[C@@H](C)C1 1754603692 LFCXYSPHFLWGQW-STQMWFEESA-N 305.382 -0.034 30 20 DBED C=CCCNC1CCN(CCNC(=O)[C@H]2CNC(=O)N2)CC1 1754850350 DUPTYRIJIOLJKH-CYBMUJFWSA-N 309.414 -0.586 30 20 DBED N#CCN1CCC[C@@](CO)(NC(=O)[C@H]2CCNC(=O)CC2)C1 1754855307 MWJYTDJTTRHZIJ-IUODEOHRSA-N 308.382 -0.631 30 20 DBED CC#CCNCC[C@@H]1CCN(C(=O)[C@@H](C)NS(C)(=O)=O)C1 1754932868 IKTKRXXYUNUAHB-CHWSQXEVSA-N 315.439 -0.224 30 20 DBED C[C@@H]1CN(C(=O)CNC(=O)c2ccccn2)C[C@@H]1NCC#N 1755123277 XYTJAVWRCMIGAN-YPMHNXCESA-N 301.350 -0.229 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)[C@@H](CNCc1nc(O)n[nH]1)C1CC1 1755571576 OJQVFLIFDQGGKL-JQWIXIFHSA-N 321.381 -0.125 30 20 DBED COCC#CCN[C@H](CO)CNC(=O)c1cncc2nc[nH]c12 1755629824 VJUIFLBOUXBSNA-NSHDSACASA-N 317.349 -0.712 30 20 DBED COCC#CCN[C@@H](CO)CNC(=O)Cc1cc(C2CC2)no1 1755630429 JJHRUTFGTQWWJN-CYBMUJFWSA-N 321.377 -0.189 30 20 DBED C=CCCCC(=O)NC[C@@H](CO)NC(=O)[C@H]1OCCO[C@H]1C 1756545470 CYAMOGJGDNKFKJ-OBJOEFQTSA-N 314.382 -0.260 30 20 DBED C=CCCC(=O)N[C@@H]1CCN(C(=O)c2cn(C)nn2)C[C@@H]1O 1757562471 OEXDWVIQNHKXRJ-PWSUYJOCSA-N 307.354 -0.527 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)c1ccco1)CCO2 1783045917 GJBIRDZEGQKXOA-GOEBONIOSA-N 318.329 -0.224 30 20 DBED C=CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CNC(=O)C1)CCO2 1783922699 YDDVLSHZNJCTNM-BLLLJJGKSA-N 321.377 -0.472 30 20 DBED COCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)C#N 1792630112 RHJCXNLVTZLCOW-PTEHBNRSSA-N 309.366 -0.228 30 20 DBED O=C(O)C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1C=CCN1 1796755897 LMLBQUGQOBZNOC-RNJOBUHISA-N 317.345 -0.759 30 20 DBED C[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CC1)C2 1800748040 VHNKPRZXWSQTJZ-WISYIIOYSA-N 307.350 -0.739 30 20 DBED CN(C)C(=O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C#CC1CC1 1847745578 ZWIHPZJGRIFWGM-STQMWFEESA-N 303.362 -0.310 30 20 DBED C#Cc1cccc(NC(=O)C(=O)NCCCNS(C)(=O)=O)c1 41853803 GUWLVCSAMIHVJZ-UHFFFAOYSA-N 323.374 -0.338 30 20 DBED COCC/N=C(/N)NC[C@@H](O)CN1CCc2ccccc2C1 66245383 CSAIKXIEYCIRNN-OAHLLOKOSA-N 306.410 -0.044 30 20 DBED C[C@H](CC#N)OC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 113689068 AQIYTNSGACUZHT-MRVPVSSYSA-N 305.294 -0.721 30 20 DBED C#CCCCCNS(=O)(=O)c1cnc2[nH]c(=O)[nH]c(=O)c2c1 126586006 KUVNJXFNRUZGLK-UHFFFAOYSA-N 322.346 -0.307 30 20 DBED N#CC1(C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)CCC1 134626363 KYRJGPFQWIORPA-UHFFFAOYSA-N 318.377 -0.027 30 20 DBED N#C[C@H]1CN(CCOc2ccc(S(N)(=O)=O)cc2)CCO1 264363785 IEVJPSKYZCRMIM-LBPRGKRZSA-N 311.363 -0.063 30 20 DBED Cc1oc(C#N)cc1C(=O)NCCN1CCS(=O)(=O)CC1 280852553 YOTFCUASYNRDDU-UHFFFAOYSA-N 311.363 -0.080 30 20 DBED C[C@H]1C(=O)NCCN1C(=O)C(=O)N(C)Cc1cccc(C#N)c1 298879792 YZKCSNPUMYEIDQ-NSHDSACASA-N 314.345 -0.136 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C(C)C)CC2)C1=O 299584461 VMVXDMIKALWJAQ-UHFFFAOYSA-N 322.365 -0.484 30 20 DBED Cn1c(NCCOC[C@@H]2CCCO2)c(C#N)c(=O)n(C)c1=O 301260511 FHJYODKYGKZGDG-JTQLQIEISA-N 308.338 -0.437 30 20 DBED C[C@H](/N=C(/O)N1CCS(=O)(=O)CC1)[C@H](C)N1CCOCC1 329370019 AQESLKCRYBNVTO-RYUDHWBXSA-N 319.427 -0.260 30 20 DBED O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1C/C(O)=N/Cc1nc(O)n[nH]1 330058473 ZAJDJTBTGPNMED-AGNRWKBWSA-N 317.305 -0.226 30 20 DBED CC[C@@H]1C(=O)NCCN1CC(=O)N/C(O)=N/[C@H](C)COC 330897413 UFEAGTCROPELNQ-NXEZZACHSA-N 300.359 -0.738 30 20 DBED N#Cc1cccc(NC(=O)CN2CCN3C(=O)NC(=O)[C@H]3C2)c1 332565942 AVLLMUPJPGQSJK-GFCCVEGCSA-N 313.317 -0.267 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CCC(OCCO)CC1 336887008 KJPBTMYFMIHYMX-UHFFFAOYSA-N 305.400 -0.060 30 20 DBED CNC(=O)CCNC(=O)C(=O)N1CCc2ccc(C#N)cc21 339792015 NRVXECBVCBLRAM-UHFFFAOYSA-N 300.318 -0.300 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2cnn(C)c2)C1=O 340546459 HSMPYAMZVATLJK-NSHDSACASA-N 305.338 -0.396 30 20 DBED CC[C@H]1CN(C(=O)C(=O)Nc2cc(C)n(CCC#N)n2)C[C@H]1O 340752094 YUDXEJZVHZQBLQ-NWDGAFQWSA-N 319.365 0.273 30 20 DBED C[C@@H](C(=O)NC1(C#N)CCC1)N1CCC[C@H](S(N)(=O)=O)C1 346565136 MBJQQWIWTJTJQP-QWRGUYRKSA-N 314.411 -0.310 30 20 DBED C=C[C@@H](CO)NC(=O)Nc1ccn(CCN2CCOCC2)n1 350186705 RGKCDIOMFDRXKZ-LBPRGKRZSA-N 309.370 -0.116 30 20 DBED C=C(C)COCCNC(=O)NCCS(=O)(=O)NC1CC1 354882132 AQCSYDFIOWCXOT-UHFFFAOYSA-N 305.400 -0.040 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccn(C)n2)C1=O 440257598 PLKNOSPRWSOHEN-SNVBAGLBSA-N 305.338 -0.396 30 20 DBED C=CCNC(=O)NC(=O)CN1CCCC[C@H](S(C)(=O)=O)C1 444791277 KPLMLPUTSOSHRB-NSHDSACASA-N 317.411 -0.103 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)C2CCN(C)CC2)CC1 490687267 BBRIPUDSOROFKQ-UHFFFAOYSA-N 320.437 -0.388 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)C[C@@H]2CCC(=O)[C@H]2C)CC1 491729176 FFZGAVADIORRKA-KBPBESRZSA-N 319.405 -0.115 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)C2CCC(O)CC2)CC1 491789380 USLVNQLWWCJISJ-UHFFFAOYSA-N 307.394 -0.569 30 20 DBED C#C[C@@H](CC)NC(=O)C(=O)Nc1cnc(OC)c(C(N)=O)c1 491808439 VVZVPBLSFGFZID-QMMMGPOBSA-N 304.306 -0.344 30 20 DBED C=CCOC[C@@H](NS(=O)(=O)CC1(C)COC1)C(=O)OC 583178839 UDIQDSDZVXYZEV-SNVBAGLBSA-N 307.368 -0.314 30 20 DBED N#Cc1ncn(CCNC(=O)N[C@H]2CCN(CC3CC3)C2)n1 588142375 JMUXSUXXCSOMNM-LBPRGKRZSA-N 303.370 -0.067 30 20 DBED CN(C)C(=O)c1cc(NC(=O)NCC(=O)NCC#N)ccn1 588249284 LDZPEGAYECUNRU-UHFFFAOYSA-N 304.310 -0.455 30 20 DBED COC(=O)C[C@@H](O)CNC(=O)C(=O)Nc1cccc(C#N)c1C 600058184 JBTHEAKSLSSRKY-LLVKDONJSA-N 319.317 -0.155 30 20 DBED COC(=O)c1cc(F)ccc1S(=O)(=O)NCC#CCO 601456684 UKKAGXJMKKEJJU-UHFFFAOYSA-N 301.295 -0.114 30 20 DBED CN1C[C@@H](N(C)S(=O)(=O)N2CCO[C@H](C#N)C2)CCC1=O 601457805 DECKFDDOIWBYRW-WDEREUQCSA-N 316.383 -0.992 30 20 DBED CCNC(=O)CN(C)CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 611371133 WDOICJMLUTWLLR-AWEZNQCLSA-N 323.441 -0.253 30 20 DBED C=C[C@@H](O)C(=O)NC[C@H](O)CS(=O)(=O)c1cccs1 612844406 HEPWQEBOKCUYGJ-DTWKUNHWSA-N 305.377 -0.454 30 20 DBED C=C[C@H](O)C(=O)N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 613961649 JKHIXNOPNPQQBB-RYUDHWBXSA-N 320.411 -0.568 30 20 DBED CN(C)CCn1ccc(NC(=O)C(=O)N2CC[C@](F)(C#N)C2)n1 615633826 RHZRZVCDXJTFOS-AWEZNQCLSA-N 322.344 -0.153 30 20 DBED C[C@@H](C(=O)N(C)CC(=O)OCC(=O)NCC#N)n1cccn1 731242678 JHWMGINYMRZDDZ-JTQLQIEISA-N 307.310 -0.915 30 20 DBED Cc1ccn(CN2CCN(S(C)(=O)=O)[C@@H](C)C2)c(=O)c1C#N 758246202 CSQCDXDLWQTRTB-LBPRGKRZSA-N 324.406 -0.048 30 20 DBED N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCCNC(=O)C1 760559249 CRUSHLBBNUITCG-UHFFFAOYSA-N 324.318 -0.023 30 20 DBED CCN(CC)CC#C[C@@H](C)OC(=O)c1cn(C)c(=O)n(C)c1=O 770805555 LGJZCWWYANWHFH-GFCCVEGCSA-N 321.377 -0.026 30 20 DBED C#CCOCCNC(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 784607483 UZNFLCBMZLTETE-RFHZTLPTSA-N 320.345 -0.695 30 20 DBED C#C[C@H](C)NC(=O)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 784848299 HJERKORBKANYEI-JTQLQIEISA-N 313.317 -0.353 30 20 DBED C[C@H](OC(=O)[C@@H](C)NS(C)(=O)=O)C(=O)NC1(C#N)CCC1 787767427 NKVGEWQUSCTODW-BDAKNGLRSA-N 317.367 -0.582 30 20 DBED C#CCC[C@@H](O)CNC(=O)N[C@H](CC)C(=O)N1CCOCC1 798433604 PRCIZOTUQYIBJA-CHWSQXEVSA-N 311.382 -0.303 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)Cn2cc([C@@H](C)O)nn2)C1=O 799027027 AEOZRAZBMQFWLU-ZYHUDNBSSA-N 307.354 -0.423 30 20 DBED C=C(CC)CNC(=O)NCCS(=O)(=O)N1CCOCC1 836265832 QPYDWGNSNWVUTL-UHFFFAOYSA-N 305.400 -0.086 30 20 DBED N#C[C@]1(C(=O)OCC(=O)N2CCNC(=O)C2)CC12CCCC2 837904722 BNSIIKUKLUZFPF-HNNXBMFYSA-N 305.334 -0.038 30 20 DBED C=CCCO[C@H](C)C(=O)NS(=O)(=O)c1cc(C(N)=O)no1 847996067 JHTPQFXCUWTBOG-SSDOTTSWSA-N 317.323 -0.440 30 20 DBED CC(=O)N1C[C@H]2CN(S(=O)(=O)N(C)C[C@@H](C)C#N)C[C@H]2C1 882634250 QXIIKCXQHGNJNR-WCFLWFBJSA-N 314.411 -0.267 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CCCN(CCN2CCOCC2)C1 882635681 JHOPJMAUCALGMG-HZPDHXFCSA-N 323.437 -0.063 30 20 DBED C=CC1(OC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 893366319 YTPJTBSJXLYRSQ-UHFFFAOYSA-N 304.306 -0.305 30 20 DBED CCN1CCN(CC(=O)[C@@H](C#N)C(=O)N2CCCC2)C(=O)C1=O 916871233 KKHJUTKWWYTLEW-LLVKDONJSA-N 320.349 -0.992 30 20 DBED C=CC(C)(C)C(=O)N1CCO[C@H](CNC(=O)[C@H]2CCC(=O)N2)C1 944509950 MUZNIJCOSDECOF-VXGBXAGGSA-N 323.393 -0.179 30 20 DBED C#CCCN1CCN(C(=O)[C@@H]2CCc3nnc(O)n3C2)CC1 948939180 FKEUBZKVQRVIHC-GFCCVEGCSA-N 303.366 -0.286 30 20 DBED C#CCN1CCOC2(CCN(C(=O)C[C@@H]3CCNC3=O)CC2)C1 949386111 SMLXGVWIIJHDNB-AWEZNQCLSA-N 319.405 -0.161 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@@H]3CCN(C(=O)C(N)=O)C[C@@H]32)c1 953453767 YIKWVYRSRQQFBP-JQWIXIFHSA-N 315.333 -0.565 30 20 DBED N#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cc3n(n2)CCCC3)C1 958161769 MGFGTXUEMQBSBQ-SMDDNHRTSA-N 303.366 -0.235 30 20 DBED C=CCN1C[C@@H](O)[C@@H](CNC(=O)c2cccc3ncnn23)C1 958223718 PWXIFKOKEDYSRH-WCQYABFASA-N 301.350 -0.062 30 20 DBED CN(C)c1ncccc1C(=O)NC[C@H]1CN(CC#N)C[C@@H]1O 958677596 RMRNTEWOAHGTTP-AAEUAGOBSA-N 303.366 -0.306 30 20 DBED CC#CCN1C[C@H]2[C@H](NC(=O)[C@H]3CCCN(C(N)=O)C3)[C@H]2C1 960897301 KJGPUEGVQKPKOF-IGQOVBAYSA-N 304.394 -0.153 30 20 DBED CCn1ncc(C(=O)N2C[C@@H]3CN(C(=O)[C@H](C)C#N)C[C@@H]3C2)n1 961511899 CEYISGCSZNSDPJ-UTUOFQBUSA-N 316.365 -0.012 30 20 DBED N#CCN1C[C@H]2[C@H](NC(=O)[C@@H]3CCCN3C(=O)C3CC3)[C@H]2C1 961974548 YOIUFTGFFNVOCB-RFQIPJPRSA-N 302.378 -0.043 30 20 DBED C#CCN1C[C@H]2[C@H](NC(=O)c3cn4nc(C)cc4[nH]c3=O)[C@H]2C1 962064857 HETKUNXKULDSDI-YABSGUDNSA-N 311.345 -0.376 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CC34CC4)C[C@@H]2O)[nH]1 962347341 QOGOKHQSCOKQBI-UHTWSYAYSA-N 314.345 -0.012 30 20 DBED C=C(Cl)CN1C[C@H]2[C@H](NC(=O)Cn3c(O)nnc3O)[C@H]2C1 962415767 QXVJEWBBVSZFLM-MBTKJCJQSA-N 313.745 -0.512 30 20 DBED CCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)c(C)n1 963163023 ULWNLXMUJQTXQD-BIMULSAOSA-N 319.365 -0.327 30 20 DBED Cc1nccn1CC(=O)N[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1O 963557079 QOOFCPNJLPXYBZ-JLLWLGSASA-N 305.338 -0.961 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@@H]3COCCO3)C[C@@H]2O)C1 970376749 HJQKZSOHCOLNML-AGIUHOORSA-N 324.377 -0.554 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)Cc3nonc3C)C2)C1 972617711 SBNPWYDEWUKQOY-HNNXBMFYSA-N 304.350 -0.143 30 20 DBED CC#CCN1C[C@@H]2C(CNC(=O)[C@H]3CC[C@@H](C(N)=O)O3)[C@H]2C1 978701931 DDAIUXVLLBQRKU-YIYPIFLZSA-N 305.378 -0.663 30 20 DBED C#CCN1CCCN(C(=O)[C@H]2CCc3nnc(O)n3C2)CC1 981477266 SGVFBCWGIOYFSP-LBPRGKRZSA-N 303.366 -0.286 30 20 DBED C=CCN1CCCN(C(=O)CCc2nnc(O)nc2O)CC1 981534826 JDALQKHPJHVOIO-UHFFFAOYSA-N 307.354 -0.064 30 20 DBED N#Cc1c[nH]c(C(=O)N2CCC(N[C@H]3CCNC3=O)CC2)c1 990789571 KZWPDQFZUJDGNO-LBPRGKRZSA-N 301.350 -0.031 30 20 DBED C=C1CC(C)(C(=O)N2CC(NC(=O)Cn3cnnc3O)C2)C1 990941907 LSTHMWTVWFGHAI-UHFFFAOYSA-N 305.338 -0.333 30 20 DBED C=CCN1CC[C@@]2(NC(=O)CN3CC(=O)NC3=O)CCC[C@H]12 992332281 OVVPNDBPKYDFCM-NHYWBVRUSA-N 306.366 -0.163 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN(C(=O)c2[nH]cnc2C)C1 994756752 YOYJWWFAERKWPF-ZDUSSCGKSA-N 315.377 -0.244 30 20 DBED CC(=O)N1CCO[C@H](C(=O)N[C@H](C)C2CCN(CC#N)CC2)C1 997409287 PGFBUYLLDJAIBL-DOMZBBRYSA-N 322.409 -0.026 30 20 DBED C=CC(C)(C)C(=O)N1CC(NC(=O)CN2CC(=O)NC2=O)C1 997768223 VAZHUODKFUTHFO-UHFFFAOYSA-N 308.338 -0.923 30 20 DBED C=CCN[C@H]1CCCN(C(=O)Cn2ccc(=O)n(C)c2=O)C1 999307108 MIHQPTGBJWFPSP-LBPRGKRZSA-N 306.366 -0.686 30 20 DBED O=C1CCN(C(=O)C#CC2CC2)CCN(C(=O)C2CC2)CCN1 1001745907 MVZNNNWJVPBCCR-UHFFFAOYSA-N 317.389 -0.013 30 20 DBED CC#CCN1CCC(NC(=O)Cn2ccc(=O)n(C)c2=O)CC1 1002955425 OCKOKEFVUOMJPM-UHFFFAOYSA-N 318.377 -0.849 30 20 DBED C#CCN1CCC[C@H](NC(=O)Cn2ncn3nccc3c2=O)C1 1008738266 RIUKOLUENBBADE-LBPRGKRZSA-N 314.349 -0.895 30 20 DBED COc1c(O)nc(O)nc1C(=O)N[C@H]1CCCN(CC#N)C1 1009192134 WSGWQVKZNLDJGG-QMMMGPOBSA-N 307.310 -0.386 30 20 DBED Cc1ccc(=O)n(CC(=O)N2CCN(C(=O)[C@@H](C)C#N)CC2)n1 1011828631 KNVCTEZTNVLSGF-NSHDSACASA-N 317.349 -0.618 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2cn(C[C@H]3CCOC3)nn2)C1 1015916943 UHFXHQKANNSVLK-VXGBXAGGSA-N 304.354 -0.358 30 20 DBED Cn1cnn(CC(=O)N[C@@H]2CC23CCN(CC#N)CC3)c1=O 1016700028 MXNOIYPORRIHFN-LLVKDONJSA-N 304.354 -0.924 30 20 DBED CNC(=O)CN1C[C@@H]2CC[C@H](C1)N2C(=O)c1c[nH]c(C#N)c1 1017489778 DXOBVZLTDWQXNP-BETUJISGSA-N 301.350 -0.079 30 20 DBED C[C@H]1CN(C(=O)C(N)=O)C[C@@]2(CCN(C(=O)C#CC3CC3)C2)O1 1017847221 IOTMDURZXCCGOL-ZBEGNZNMSA-N 319.361 -0.897 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H](N[C@@H]2CCN(C)C2=O)C1 1020251561 TWJVWZWHGMOBOV-TUVASFSCSA-N 318.421 -0.449 30 20 DBED CN1C(=O)CN(CC(=O)NC2C[C@@H]3CC[C@H](C2)N3CC#N)C1=O 1021436356 CTFHPTNLBOQZHZ-YOGCLGLASA-N 319.365 -0.484 30 20 DBED C#CCN(C)[C@H]1CCCN(C(=O)c2cc(=O)n3[nH]cnc3n2)C1 1027648931 YYNJMJHJIWVYGA-NSHDSACASA-N 314.349 -0.413 30 20 DBED C#CCN1CC[C@@H](CNC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 1028707848 YIHLPXQEXWFXOL-AAEUAGOBSA-N 301.350 -0.563 30 20 DBED C#CCN1CCC(C(=O)NC2CN([C@H]3CCNC3=O)C2)CC1 1031436435 HLKYXPALZUTPCW-AWEZNQCLSA-N 304.394 -0.980 30 20 DBED CC#CCN1C[C@@H]2C[C@H]1CN2C(=O)CN1C(=O)NC(C)(C)C1=O 1032766292 XXGJJMQHUSUDQW-RYUDHWBXSA-N 318.377 -0.375 30 20 DBED CC#CCN1CCO[C@H](CNC(=O)c2coc(C(N)=O)c2)C1 1035455105 RMFNVNCQIQKQPM-GFCCVEGCSA-N 305.334 -0.168 30 20 DBED C[C@H]1CN(C(=O)CN2C(=O)NC(C)(C)C2=O)CC[C@H]1NCC#N 1036283728 VRJHBDBOGCERLN-WDEREUQCSA-N 321.381 -0.333 30 20 DBED CC#CCN1CC[C@H]1CNC(=O)[C@@H]1CC(=O)N(CCOC)C1 1038317025 GTQDDMSRVPZGLG-KGLIPLIRSA-N 307.394 -0.305 30 20 DBED Cn1ccc(C(=O)NC[C@]2(O)CCN(C(=O)C#CC3CC3)C2)n1 1039760930 WCVYGIURVWNMLZ-MRXNPFEDSA-N 316.361 -0.473 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)c2ccccn2)C1 1040764799 ZFHNFDZTXKKFEE-NHYWBVRUSA-N 302.334 -0.066 30 20 DBED N#Cc1cnc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCO3)C2)cn1 1040925616 ODEZXXSLCLHVKN-IJLUTSLNSA-N 303.322 -0.807 30 20 DBED O=C(NCC1(O)CN(C(=O)C#CC2CC2)C1)[C@@H]1CCCOC1 1041993416 DWYSVTRXRDJPJC-CYBMUJFWSA-N 306.362 -0.484 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H]3CCN(CC(N)=O)[C@@H]3C2)nn1 1042263568 WFDHVIWRBGEENL-DGCLKSJQSA-N 318.381 -0.514 30 20 DBED C#CCN1CC[C@@H]2CCN(C(=O)CN3C(=O)CCC3=O)C[C@@H]21 1042346249 QRPINBUHWIVIBY-OLZOCXBDSA-N 303.362 -0.309 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@]23CCOC3)C1 1042801927 YTIBRNPKPKIGCL-BBRMVZONSA-N 320.389 -0.094 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)CCC(=O)NCC)C1 1042802055 CLRWTSGWJGLPOE-UHFFFAOYSA-N 323.393 -0.604 30 20 DBED Cc1ccnc(C(=O)NCC2(O)CN(C(=O)C#CC3CC3)C2)n1 1042837241 KJBRLSYNDYZZFZ-UHFFFAOYSA-N 314.345 -0.498 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)[C@@]2(C)CCOC2)C1 1042937808 LMUHSQDVMQAWRS-HNNXBMFYSA-N 308.378 -0.238 30 20 DBED C[C@@H](C(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1)[C@H]1CCCO1 1042960106 FBLSTOOHAJLZBK-TZMCWYRMSA-N 320.389 -0.096 30 20 DBED C=CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)C2=COCCC2)C1 1043570355 HEFXQYUWHZEMEE-LBPRGKRZSA-N 324.377 -0.039 30 20 DBED C#CCN[C@H]1CCN(C(=O)CN2CCC(=O)NC2=O)[C@@H](C)C1 1044815076 IJBVPKWNDIIYPX-RYUDHWBXSA-N 306.366 -0.469 30 20 DBED C=CCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCC(=O)N2)C1 1045454935 HOIGXHZIMWRFER-NSHDSACASA-N 309.366 -0.689 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)Cc2cscn2)C1 1045554775 JBWGZBUYCPAJGV-VIFPVBQESA-N 308.363 -0.465 30 20 DBED Cc1nonc1CC(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1045644409 PSKCCSWFZDQLHN-UHFFFAOYSA-N 318.333 -0.977 30 20 DBED C=CCC1(C(=O)NCC2(O)CN(C(=O)CNC(N)=O)C2)CCC1 1045794741 UQEPMODOCDHOKY-UHFFFAOYSA-N 324.381 -0.909 30 20 DBED C#CCN1CC[C@H](N2CCN(C(=O)[C@@H](C)n3cncn3)CC2)C1 1046021833 GTQLMROKDBADMP-CABCVRRESA-N 316.409 -0.309 30 20 DBED C#CCN1CC[C@@H](N2CCN(C(=O)[C@@H]3CCC(=O)N3C)CC2)C1 1046056373 WSJHFDUKEVJRPI-CABCVRRESA-N 318.421 -0.541 30 20 DBED C[C@@]1(C(=O)N2CCN([C@@H]3CCN(CC#N)C3)CC2)CCNC1=O 1046060989 HASJBPMTHOFMKK-CZUORRHYSA-N 319.409 -0.745 30 20 DBED N#CCN1CC[C@@H](N2CCN(C(=O)CCc3cnn[nH]3)CC2)C1 1046063796 XUZXMNMUBBMOQL-CQSZACIVSA-N 317.397 -0.521 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)C[C@@H](C)n2cccn2)C1 1046609277 OQJMETWHKSJZRD-VXGBXAGGSA-N 319.365 -0.317 30 20 DBED C=CCCn1cc(C(=O)N(C)[C@H]2CN(CCF)C[C@@H]2O)nn1 1047557758 LDNNAFMQDMRIPA-STQMWFEESA-N 311.361 -0.059 30 20 DBED C=CCN1C[C@H]2CN(C(=O)c3cnc(O)n(C)c3=O)C[C@H]2C1 1048974633 AIDDJJNAURCYGS-PHIMTYICSA-N 304.350 -0.324 30 20 DBED Cn1nnc2c1C[C@@H](C(=O)N1C[C@@H]3CN(CC#N)C[C@@H]3C1)CC2 1049006667 FOJPMNLWJXPZFH-RWMBFGLXSA-N 314.393 -0.166 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cc2cnc[nH]2)C1 1049630810 BNZIENDJDKVLMY-STQMWFEESA-N 306.366 -0.052 30 20 DBED C#CCCN1CC[C@@H]2[C@@H]1CCCN2C(=O)CN1CC(=O)NC1=O 1049791441 VBQZQDHXHDFGBO-QWHCGFSZSA-N 318.377 -0.373 30 20 DBED N#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H]1CC(=O)NC1=O 1049933338 KNCJUOPNFYULOG-QJPTWQEYSA-N 304.350 -0.372 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)[C@@H]1COCCN1C(C)=O)C2 1050761468 QTIFUTGRXRWFGJ-HNNXBMFYSA-N 319.405 -0.209 30 20 DBED C#CCCN1CCOC[C@@H]1CNC(=O)c1cc(OC)ncn1 1050922145 ZJILZRQSEWDAJX-LBPRGKRZSA-N 304.350 -0.061 30 20 DBED N#CCN1CCOC[C@@H]1CNC(=O)c1cnc2nccnc2c1 1050955868 SVFPHGRLFCNIOK-LBPRGKRZSA-N 312.333 -0.021 30 20 DBED N#CCN1CCOC[C@@H]1CNC(=O)C1CCC(C(N)=O)CC1 1050992001 CQXINTDRARZPSS-BPCQOVAHSA-N 308.382 -0.381 30 20 DBED C=CCOCC(=O)N[C@H](C)[C@H]1CCN(C(=O)c2cnn(C)n2)C1 1051183054 WXIHSECISHXZHJ-NEPJUHHUSA-N 321.381 -0.016 30 20 DBED C=CCN1CCN([C@@H]2CCN(C(=O)[C@@H]3CN(C)CCO3)C2)CC1 1051999179 FYFGTBNLZBUNAM-CVEARBPZSA-N 322.453 -0.279 30 20 DBED N#CCN1CCN([C@H]2CCN(C(=O)[C@@H]3CCCNC3=O)C2)CC1 1052037149 FBTNWCLKIHICOV-UONOGXRCSA-N 319.409 -0.745 30 20 DBED C[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1CNC(=O)c1nc[nH]n1 1052981598 RIVUFYUPNXPMCF-NXEZZACHSA-N 312.337 -0.031 30 20 DBED C#CCN1CC2(C1)CN(C(=O)c1cnn3ccncc13)CCO2 1053288407 IQKFWPDVVWTQBW-UHFFFAOYSA-N 311.345 -0.111 30 20 DBED C=C(Cl)CN1CC2(C1)CN(C(=O)c1nnn(C)n1)CCO2 1053380722 AYMYFNJHZYXZBM-UHFFFAOYSA-N 312.761 -0.511 30 20 DBED C#CCN1CC2(CC[C@H](CNC(=O)c3ccc(=O)n(C)c3)O2)C1 1053622384 VPIIFEVUDOBRBH-CQSZACIVSA-N 315.373 -0.018 30 20 DBED C[C@@H](O)CN1CC2(C[C@@H](NC(=O)c3c[nH]c(C#N)c3)CO2)C1 1053780359 JFGJUNKKDCYUPU-ZWNOBZJWSA-N 304.350 -0.160 30 20 DBED COc1cnc(C(=O)N[C@@H]2COC3(C2)CN(CC#N)C3)nc1 1053865738 HYMRDDAWVHLSOO-JTQLQIEISA-N 303.322 -0.418 30 20 DBED C#CCOCCC(=O)N1C[C@H]2CN(C(=O)c3cc[nH]n3)C[C@H]2C1 1055186176 CWXVANLULKUYNZ-BETUJISGSA-N 316.361 -0.020 30 20 DBED CC#CCCCC(=O)N1C[C@H]2CN(C(=O)CC(N)=O)C[C@H]2C1 1055264438 PEGIHTKFJZDARY-BETUJISGSA-N 305.378 -0.028 30 20 DBED CC(=O)N1CC(C(=O)N2CCN(c3cnc(C#N)cn3)CC2)C1 1055783559 UVHUCDJSVLYNDX-UHFFFAOYSA-N 314.349 -0.525 30 20 DBED Cn1nccc1CC(=O)NC1[C@H]2CN(c3ccnc(C#N)n3)C[C@H]12 1056173365 OWXSBFUQUJBOJK-RYUDHWBXSA-N 323.360 -0.125 30 20 DBED N#Cc1ccc(N2C[C@@H]3C(NC(=O)Cc4nc[nH]n4)[C@H]3C2)cn1 1056298670 YEQGCHONOOYCKT-RYUDHWBXSA-N 309.333 -0.135 30 20 DBED N#Cc1cnc(N2C[C@@H]3C(NC(=O)c4cncnc4O)[C@H]3C2)cn1 1056330645 VGDDWLDJYNMHDN-QWRGUYRKSA-N 323.316 -0.292 30 20 DBED N#Cc1ccc(N2C[C@H]3C(NC(=O)c4c[nH]c(=O)cn4)[C@@H]3C2)cn1 1056389270 KTMDAQKOSGTUMP-VXGBXAGGSA-N 322.328 -0.099 30 20 DBED N#CCSCC(=O)N(CCO)CCNC(=O)c1ccc[nH]1 1057026524 BTFIAZQPCRUTAT-UHFFFAOYSA-N 310.379 -0.178 30 20 DBED CO[C@@H](C)CC(=O)N(CCO)CCNC(=O)c1cc(C#N)c[nH]1 1057161452 RVWIFHNCLXINID-NSHDSACASA-N 322.365 -0.138 30 20 DBED CO[C@H](C)C(=O)NCCN(CCO)C(=O)c1cc(C#N)c[nH]1 1057291672 NNUVSCYUHMVGMK-SNVBAGLBSA-N 308.338 -0.528 30 20 DBED N#Cc1c[nH]ccc1=NC1CCN(C(=O)[C@H]2COC(=O)N2)CC1 1057320470 HNGWWJRLRQQARS-CYBMUJFWSA-N 315.333 -0.114 30 20 DBED Cc1nc(O)[nH]c1C(=O)NCCN(CCO)C(=O)C#CC1CC1 1057536194 NXDDCKIJKKUOEZ-UHFFFAOYSA-N 320.349 -0.612 30 20 DBED C=CCC(C)(C)C(=O)N(CCO)CCNC(=O)Cn1nccn1 1057599060 PVDSBBZWEHLLCT-UHFFFAOYSA-N 323.397 -0.183 30 20 DBED N#Cc1cnc(N2CCC[C@@H](NC(=O)Cn3nccn3)C2)cn1 1058199875 JNWKDPQHBIJYMV-LLVKDONJSA-N 312.337 -0.275 30 20 DBED C=CC(C)(C)C(=O)N(CCO)CCNC(=O)[C@@H]1CCC(=O)N1 1058302070 DMTGWXNGRWTXKN-NSHDSACASA-N 311.382 -0.586 30 20 DBED C[C@H](C(=O)N1CC[C@H](N=c2cc[nH]c(C#N)n2)C1)n1cncn1 1058862482 AOLZUCKRCDYUAL-MNOVXSKESA-N 312.337 -0.364 30 20 DBED C=C[C@](C)(CC)C(=O)NCCN(CCO)C(=O)Cn1cncn1 1058883981 BRQIPTDRESBSBB-OAHLLOKOSA-N 323.397 -0.183 30 20 DBED N#Cc1nc(=NC[C@H]2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)cc[nH]1 1060992475 VXXSSABHUBDYLM-MXWKQRLJSA-N 314.349 -0.848 30 20 DBED C=CCOCC(=O)N1CCOC[C@@H]1CNC(=O)CCCOC 1061352523 YNLSPUWKFZKRLU-ZDUSSCGKSA-N 314.382 -0.041 30 20 DBED N#Cc1nccc(N2CCC[C@@H]2CNC(=O)[C@@H]2COC(=O)N2)n1 1061353790 QRSPWIHSDABHBG-ZJUUUORDSA-N 316.321 -0.458 30 20 DBED C#CCOCCC(=O)NC[C@@H]1COCCN1C(=O)COCC 1061582131 ZGJSRAFPEGBIIM-CYBMUJFWSA-N 312.366 -0.594 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)Cc1ccnn1C 1061848633 SKGHWEJJBUDIMA-AAEUAGOBSA-N 319.365 -0.534 30 20 DBED C=C[C@@](C)(O)CC(=O)NC1(CNC(=O)c2cn(C)nn2)CCC1 1062922493 NLTXIOLTJDUZTL-CQSZACIVSA-N 321.381 -0.089 30 20 DBED C#CCNC(=O)CC(=O)NC1(CNC(=O)c2ncc[nH]2)CCC1 1062954334 GEZFSXSVJCTRHD-UHFFFAOYSA-N 317.349 -0.682 30 20 DBED Cc1cc(C#N)nc(N[C@@H]2CCN(C(=O)C(N)=O)C[C@H]2C)n1 1063790182 CBXHCOULMLWJGJ-LDYMZIIASA-N 302.338 -0.209 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)[C@@H]2CCNC(=O)C2)CCC1 1064302545 MUXTYJNYTZFRJP-WDEREUQCSA-N 306.366 -0.173 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H]1CN(C(=O)CSC)CCO1 1064820911 GTQDAEUDWHIAEZ-NWDGAFQWSA-N 314.407 -0.269 30 20 DBED CCC(=O)NCC(=O)N1CCO[C@@H](CNC(=O)C#CC(C)C)C1 1064983233 PXNONTQTDYIENE-ZDUSSCGKSA-N 323.393 -0.484 30 20 DBED C#CCCCC(=O)N1CCO[C@H](CNC(=O)[C@H](C)NC(N)=O)C1 1065092744 LMOPSAVLUOXYKY-NWDGAFQWSA-N 324.381 -0.810 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CN(C(=O)CC2(O)CCC2)CCO1 1065124312 MJNJGPLTEAHVHP-RYUDHWBXSA-N 309.366 -0.205 30 20 DBED CC(C)C#CC(=O)N1CCO[C@@H](CNC(=O)c2cnn[nH]2)C1 1065125908 GKSCUUYFRJHQAT-NSHDSACASA-N 305.338 -0.579 30 20 DBED C[C@@]1(NC(=O)[C@H]2CCC(=O)N2)CCN(c2nccnc2C#N)C1 1065223836 IHCGAUZIQNSPNE-MEBBXXQBSA-N 314.349 -0.288 30 20 DBED Cc1ncn(C)c1C(=O)N1CCO[C@H](CNC(=O)[C@@H](C)C#N)C1 1065266165 WOSGZRHXRNUHJO-CMPLNLGQSA-N 319.365 -0.155 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)Cn2cncn2)CCO1 1065637700 GGBWDTRALWTKQH-LBPRGKRZSA-N 307.354 -0.412 30 20 DBED COCC(=O)N1CCC[C@](CO)(Nc2cnc(C#N)cn2)C1 1066879732 NTWWDNQJGUOQQE-AWEZNQCLSA-N 305.338 -0.240 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](CNC(=O)c3cnn[nH]3)C2)cn1 1067697077 AVGANERUXGVKBG-NOZJJQNGSA-N 313.321 -0.702 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCCN(C)C(=O)[C@]1(C)CCNC1=O 1068060442 NVIRSPOLZRSXHZ-XHDPSFHLSA-N 308.382 -0.021 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC2(C[C@H](NC(=O)C3CC3)CO2)C1 1068641714 GWXKZDQQWCETGV-AAEUAGOBSA-N 306.362 -0.079 30 20 DBED Cc1c[nH]nc1C(=O)N1CC2(C[C@@H](NC(=O)[C@H](C)C#N)CO2)C1 1069004561 XBNGNXFIVBCQIQ-MWLCHTKSSA-N 317.349 -0.023 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN(CCO)C[C@@H]2n2ccnn2)C1 1070018131 UVGBLNDDDRFOLZ-OLZOCXBDSA-N 305.382 -0.032 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@@H]1n1ccnn1 1070158571 PXRCSMCLYPSZJU-MCIONIFRSA-N 302.382 -0.653 30 20 DBED N#CCN1CCNC(=O)CCN(C(=O)c2ccns2)CC1 1070969130 BMMSHGUJKNNFMN-UHFFFAOYSA-N 307.379 -0.069 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CCC(=O)N2)C1 1071046025 MOTNJNCFIHLPHY-XQQFMLRXSA-N 321.377 -0.590 30 20 DBED C#CCN1CC[C@@]2(C1)CN(C(=O)Cc1nc[nH]n1)C[C@H](C)O2 1071231775 USUYOCRNPVWILZ-SWLSCSKDSA-N 303.366 -0.328 30 20 DBED C#CCCCCC(=O)N[C@H]1CN(C(=O)CNC(N)=O)C[C@@H]1C 1071573825 HWNRFCYJFWWXCG-RYUDHWBXSA-N 308.382 -0.189 30 20 DBED C#CCCCC(=O)N1C[C@@H](NC(=O)CS(C)(=O)=O)[C@H](C)C1 1072000246 TXTLQDJWJWORFO-VXGBXAGGSA-N 314.407 -0.202 30 20 DBED C[C@H](NC(N)=O)C(=O)NC1(C)CCN(C(=O)C#CC2CC2)CC1 1073011363 CESLIXLFGWOBRG-NSHDSACASA-N 320.393 -0.046 30 20 DBED N#CCN1CCC2(C1)CN(C(=O)C1CCN(C(N)=O)CC1)C2 1073416438 HYURMCLENQGIJV-UHFFFAOYSA-N 305.382 -0.165 30 20 DBED C=CCOCC(=O)N1CC[C@H](NC(=O)CC(=O)NC)[C@H](C)C1 1073902800 HGOIBMTXDADASV-NEPJUHHUSA-N 311.382 -0.322 30 20 DBED COc1ncc(C(=O)N2CC[C@@H]3OCCN(CC#N)[C@@H]3C2)cn1 1074377445 KSUIMXITVFIXNJ-OLZOCXBDSA-N 317.349 -0.076 30 20 DBED C=CCCN1C[C@@H]2CCN(C(=O)Cn3cnc(C(N)=O)n3)[C@@H]2C1 1075813770 YKUINXYAOCCUEL-NWDGAFQWSA-N 318.381 -0.514 30 20 DBED C#CCO[C@@H](C)C(=O)NCC[C@H](C)NC(=O)c1cnn(C)n1 1076507294 BDCWCFZIUWMDQB-QWRGUYRKSA-N 307.354 -0.522 30 20 DBED C[C@@H](CCNC(=O)C[C@@H](C)NC(N)=O)NC(=O)C#CC1CC1 1076520176 WKYNCDABZQXGAY-WDEREUQCSA-N 308.382 -0.142 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)c2cc(C)c(C(N)=O)cn2)C1 1077704283 LMJAUJHNSUNBSD-ZIAGYGMSSA-N 316.361 -0.713 30 20 DBED C[C@@H](CCNC(=O)C(=O)NCC1CC1)NC(=O)C#CC1CC1 1078057745 WPIIAWXWHMCDHK-NSHDSACASA-N 305.378 -0.063 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCN2CC(F)(F)F)C1 1078232300 IZNMXASALNJRTB-IJLUTSLNSA-N 319.327 -0.192 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC(=O)N(C)C2)C1 1078234289 RGTYIRIQHIGJAK-BFHYXJOUSA-N 309.410 -0.018 30 20 DBED N#CCN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)CN1CCOCC1=O)C2 1078968975 CJSHNFHXLXMHQA-JHJVBQTASA-N 306.366 -0.662 30 20 DBED CCN(C(=O)C#CC1CC1)C1CN(C(=O)[C@@H]2COC(=O)N2)C1 1079736818 LFEIZBLAGRUGPH-LBPRGKRZSA-N 305.334 -0.433 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@H]2CC(=O)N(CCOC)C2)[C@H](C)C1 1079795667 APMHDDBTCBIQHH-HZSPNIEDSA-N 307.394 -0.449 30 20 DBED C#CCC1(C(=O)N2C[C@@H](O)[C@H](CNC(C)=O)C2)CCOCC1 1081129472 UUUJYWLHMJFUPV-ZIAGYGMSSA-N 308.378 -0.238 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(C(=O)c2ccc[nH]2)C[C@H]1O 1081484891 CXMCTTDKYFIXCI-TZMCWYRMSA-N 319.361 -0.396 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@H](CNC(=O)Cn2ccnc2)C1 1081581138 XUZISNFXACSFAT-KGLIPLIRSA-N 318.377 -0.378 30 20 DBED CC(C)(C)C#CC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2nc[nH]n2)C1 1081652947 HWEHVPUVKCBZBR-GHMZBOCLSA-N 319.365 -0.597 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1cncc2nc[nH]c12 1081702652 WZVRVWMHFLDRPV-VXGBXAGGSA-N 300.322 -0.090 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H]2CN(CC(=O)NC3CC3)C[C@@H]21 1083026878 QQEFRKXEZNPWLY-KGYLQXTDSA-N 306.366 -0.664 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CC(=O)N(CC)C1 1083098743 FKUKCPWSVZWFMV-SOUVJXGZSA-N 319.405 -0.210 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CCN1CCOCC1 1083224522 CUSOJUSMVNODNF-JKSUJKDBSA-N 321.421 -0.356 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@H]2CC(=O)N(CC(C)C)C2)C1 1083503738 AEKYMKTZNVFXAZ-ZNMIVQPWSA-N 321.421 -0.325 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)C2CCN(C(C)=O)CC2)C1 1084041578 ABNVWOXSECUSQL-CABCVRRESA-N 309.410 -0.018 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)Cc2c(C)nc(C)nc2O)C1 1084050370 WLDAHVHXAUFCGN-OLZOCXBDSA-N 304.350 -0.864 30 20 DBED CN(C[C@@H]1CCN1CC#N)C(=O)c1cn(C[C@H]2CCOC2)nn1 1085897273 ZZPYEQRWBBBRER-OLZOCXBDSA-N 318.381 -0.016 30 20 DBED N#CCN[C@H]1C[C@H](CNC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 1086365803 DGPSOOVSIBDNEW-SRVKXCTJSA-N 316.365 -0.229 30 20 DBED C#CCCN1C[C@@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)Cn2cnnn2)C1 1089769044 HSFAIXCFOHPLDZ-XQLPTFJDSA-N 314.393 -0.135 30 20 DBED C#CCN1CC[C@@H](NC(=O)Cn2cc(C3CC3)nn2)[C@@H](O)C1 1090320325 WMDZJRJBVLEMIK-OCCSQVGLSA-N 303.366 -0.660 30 20 DBED CC(C)N(C)CC(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1O 1090439996 OYRUTSWUKYEXMJ-CHWSQXEVSA-N 318.381 -0.646 30 20 DBED C#CCN1CC[C@H](NC(=O)C2CCN(C(C)=O)CC2)[C@@H](O)C1 1090797443 ZGRMKAMUHKPOLK-GJZGRUSLSA-N 307.394 -0.571 30 20 DBED CCO[C@H](C)C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1091067027 JWLPGTHEWAJIJN-MXWKQRLJSA-N 305.338 -0.561 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1CNC(=O)c1cnn2c(=O)cc[nH]c12 1093032433 LZCAXQXCEPELKG-GHMZBOCLSA-N 314.349 -0.156 30 20 DBED CCN1CCOC[C@@H]1C(=O)NCCNc1cncc(C#N)n1 1093978130 YKELGEGFVKRZTL-GFCCVEGCSA-N 304.354 -0.403 30 20 DBED CO[C@@H](C(=O)NCCNc1cnc(C#N)cn1)[C@H]1CCOC1 1094011219 BXNJLFAWYKSOKK-GXFFZTMASA-N 305.338 -0.072 30 20 DBED CN(CC(=O)NCCN=c1cc[nH]c(C#N)n1)C(=O)C1CC1 1094190409 IZHILFIKMGURIA-UHFFFAOYSA-N 302.338 -0.833 30 20 DBED N#Cc1nc(=NCCCNC(=O)[C@@H]2CCCN2C(N)=O)cc[nH]1 1094475152 PFRAHQSMVGKJBI-JTQLQIEISA-N 317.353 -0.769 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)[C@@H]3CCN(C)C3)CC2=O)C1 1094814760 HZWVPSURKIDRSP-CHWSQXEVSA-N 306.410 -0.475 30 20 DBED Cc1cc(C#N)nc(N2CCC[C@H](NC(=O)CC(N)=O)C2)n1 1096144023 HCCZBLUMKAYCLB-JTQLQIEISA-N 302.338 -0.383 30 20 DBED COCCOCC(=O)N[C@@H]1CCN(c2cncc(C#N)n2)C1 1096338663 DMYABXUZVLCJFS-LLVKDONJSA-N 305.338 -0.294 30 20 DBED C[C@H](CNC(=O)C1CS(=O)(=O)C1)Nc1ccc(C#N)nn1 1098071042 LVEPFAFCVPKKJR-MRVPVSSYSA-N 309.351 -0.691 30 20 DBED C[C@@H](CNC(=O)[C@@]1(C)CNC(=O)C1)N=c1cc[nH]c(C#N)n1 1098153583 UYQSGHFQYVQPIW-LKFCYVNXSA-N 302.338 -0.787 30 20 DBED C[C@H](CNC(=O)[C@]1(C)CNC(=O)C1)Nc1cnc(C#N)cn1 1098153763 XUEHKQUWAJJFOW-OTYXRUKQSA-N 302.338 -0.209 30 20 DBED CNC(=O)NCC(=O)N[C@@H]1CN(CC#N)CC2(CCOCC2)C1 1099583682 XWOCJOVKUIAFBL-LBPRGKRZSA-N 323.397 -0.574 30 20 DBED C#CCNC(=O)CC(=O)NCCN(C)c1ccc([N+](=O)[O-])cn1 1100037585 HIDCZRXCKHWSHH-UHFFFAOYSA-N 319.321 -0.318 30 20 DBED C=C(Cl)CN1CC[C@@H](NC(=O)CS(=O)(=O)CC)[C@@H](O)C1 1100127373 VJQZFJYILZJRAM-MNOVXSKESA-N 324.830 -0.275 30 20 DBED COCC#CCNC1CC(CNC(=O)Cc2n[nH]c(C)n2)C1 1100318542 RYITWJRTOMZXFS-UHFFFAOYSA-N 305.382 -0.210 30 20 DBED CCN(CCNC(=O)c1nccnc1N)c1ccnc(C#N)n1 1100477752 GVIQDUQGFLWSDG-UHFFFAOYSA-N 312.337 -0.023 30 20 DBED CCCN(CCNC(=O)Cn1cncn1)c1ccnc(C#N)n1 1101145543 SANUPVKDNNAAKG-UHFFFAOYSA-N 314.353 -0.027 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)[C@@]23COC[C@@H]2C3)C1 1101983046 ZQOLGFAPMLIZQM-WVZRYYJFSA-N 319.405 -0.544 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1CCNC(=O)c1cn[nH]c1 1102703054 JSVBWNSSIQAELB-VXGBXAGGSA-N 318.381 -0.263 30 20 DBED Cc1nnc(CC(=O)N(C)[C@H](C)CN=c2cc[nH]c(C#N)n2)o1 1104545416 KTCTVXNEVFDGRP-SECBINFHSA-N 315.337 -0.037 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)C[C@@H](C)NC(N)=O 1104684713 CLXCIUYFHBJXLF-ZJUUUORDSA-N 319.369 -0.524 30 20 DBED CNC(=O)CC(=O)N[C@@H](CN=c1cc[nH]c(C#N)n1)CC(C)C 1104936639 CAOFTVOCHZBEQS-LLVKDONJSA-N 318.381 -0.151 30 20 DBED C=C(C)CNCc1cn(C2CN(C(=O)[C@H]3COC(=O)N3)C2)nn1 1105224753 BJSPHMGUNFAJQN-GFCCVEGCSA-N 320.353 -0.565 30 20 DBED C=C(C)CCC(=O)N1CC(n2cc(CNCC(N)=O)nn2)C1 1105252072 FNWCZHYPORGYKF-UHFFFAOYSA-N 306.370 -0.407 30 20 DBED N#CCNC[C@]1(c2ccccc2)C[C@@H](NC(=O)CNC(N)=O)C1 1105404888 XZFYTNFZAMAYFP-AKAXFMLLSA-N 315.377 -0.016 30 20 DBED Cc1cc(C#N)nc(N(C)CCN(C)C(=O)C2(C(N)=O)CC2)n1 1105543292 UBCVYWJKEPKSEM-UHFFFAOYSA-N 316.365 -0.183 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](O)CNC(=O)C2=COCCO2)n1 1105715607 YDEAVFSSTQLYOQ-NSHDSACASA-N 319.321 -0.566 30 20 DBED Cc1cc(=NC[C@H](O)CNC(=O)c2cnns2)c(C#N)c[nH]1 1105722990 DOJMJWBQHUQSDR-JTQLQIEISA-N 318.362 -0.262 30 20 DBED N#Cc1cncc(NC[C@@H](O)CNC(=O)Cc2cncnc2)n1 1105806316 UKIVVSPTZMSPES-GFCCVEGCSA-N 313.321 -0.730 30 20 DBED C[C@@]1(C(=O)NC[C@@H](O)CNc2ccc(C#N)nn2)CCOC1 1105939542 VGDPHSKWUPAHRZ-SMDDNHRTSA-N 305.338 -0.336 30 20 DBED C[C@]1(C(=O)NC[C@H](O)CNc2ccc(C#N)cn2)CCNC1=O 1106104198 JOLSGILIBIMJGJ-ABAIWWIYSA-N 317.349 -0.632 30 20 DBED CC(=O)N[C@H](C)C(=O)NC/C=C\CNc1cnc(C#N)cn1 1107021402 RYKSEXMSFFOHHR-UMBAGQNISA-N 302.338 -0.043 30 20 DBED C#CCN1CC(n2cc(CNC(=O)Cc3cc(C)[nH]n3)nn2)C1 1107159449 PVKAZJUQMDXVAM-UHFFFAOYSA-N 313.365 -0.342 30 20 DBED C#CCOCCC(=O)NCc1cn(C2CN(CC#N)C2)nn1 1107170791 BVDKXSUQAWOIOR-UHFFFAOYSA-N 302.338 -0.686 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)C(=O)NCC(F)F)C1 1108041044 ZRMNSGHMVIXTMI-ZDUSSCGKSA-N 303.309 -0.792 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)[C@@]1(C)CCC(=O)NC1 1108059618 XYBQFXLNSDBFIK-BMIGLBTASA-N 316.365 -0.397 30 20 DBED C#Cc1ccc(C(=O)NC[C@@]2(C)CN(CCO)CCO2)nc1 1108352309 VLIVAMCDZSQSFM-INIZCTEOSA-N 303.362 -0.124 30 20 DBED CC#CCN1CC(N2C[C@H](NC(=O)COCCC)CC2=O)C1 1108517617 KONJMHPPVBGDJB-CYBMUJFWSA-N 307.394 -0.162 30 20 DBED COCCCCN1CC(N2C[C@@H](NC(=O)[C@@H](C)C#N)CC2=O)C1 1108527057 BNAJKAUETKEGBT-STQMWFEESA-N 322.409 -0.026 30 20 DBED C[C@H](NC(N)=O)C(=O)N[C@H](CNc1nccnc1C#N)C1CC1 1109842699 KBHVUYIHXBTWGZ-GZMMTYOYSA-N 317.353 -0.288 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@@H]1CCOC1 1110465448 DCINDVYILZYBDO-YJNKXOJESA-N 319.405 -0.116 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1ncc[nH]1 1110529692 SWMNQBLJKZIFRF-UTUOFQBUSA-N 301.350 -0.506 30 20 DBED CCOCC(=O)NC[C@H]1COCCN1c1cnc(C#N)cn1 1111650964 ILMQQPRDEGUITO-LBPRGKRZSA-N 305.338 -0.294 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)CCn2ccnc2)CC1 1113172463 JGRHGCPMAXEVGQ-AWEZNQCLSA-N 317.393 -0.445 30 20 DBED C=CCO[C@H](C)C(=O)N1CCN(C[C@@H](O)Cn2cccn2)CC1 1113714578 HDJVMDJDWAXJQZ-HUUCEWRRSA-N 322.409 -0.021 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3cc(C)no3)[C@H]2C1 1113852771 QXNONHHRFOWSBX-QWRGUYRKSA-N 302.334 -0.608 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)C[C@@H]3CCCO3)[C@H]2C1 1113913633 QAZNUKGZFGJNGG-BCUIYNNISA-N 305.378 -0.649 30 20 DBED Cc1ccc(CC(=O)NC2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]23)o1 1114146588 CUVXLLOWUSPUSR-CHWSQXEVSA-N 316.361 -0.183 30 20 DBED C#CCO[C@H](C)C(=O)NC1[C@H]2CN(CC(=O)N(C)C3CC3)C[C@H]12 1114263044 NSPZZWZJTVMRTG-XBFCOCLRSA-N 319.405 -0.308 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H]1[C@@H]2CN(Cc3nnc(C)o3)C[C@@H]21 1114270552 HSNUVNKCCZSZIU-WUWHUORYSA-N 304.350 -0.037 30 20 DBED Cc1cc(C(=O)N[C@H]2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]32)ccn1 1114995231 WHLNXANNOHLADG-NHAGDIPZSA-N 313.361 -0.310 30 20 DBED N#CCNC(=O)CN1C[C@@H]2C(NC(=O)CCn3cccc3)[C@H]2C1 1115015238 APPYCFUZSVZRDY-STQMWFEESA-N 315.377 -0.436 30 20 DBED C=CCCCN1C[C@H]2C(NC(=O)[C@@H]3CCS(=O)(=O)N3)[C@@H]2C1 1115247522 GAQCMEFPDCBWHM-UTUOFQBUSA-N 313.423 -0.309 30 20 DBED C[C@@H](CN(C)C(=O)CN1CCOCC1)Nc1nccnc1C#N 1115677770 DXWAYUCTSVNGHY-LBPRGKRZSA-N 318.381 -0.061 30 20 DBED C[C@@H](CN(C)C(=O)[C@H]1COC(=O)N1)Nc1nccnc1C#N 1115703262 VSUPWQQYKBWPRV-WCBMZHEXSA-N 304.310 -0.285 30 20 DBED C#CCC(C)(C)C(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 1116639515 ZSAVVHULQHGRJK-LLVKDONJSA-N 314.407 -0.155 30 20 DBED Cc1nccn1C[C@H](C)CNC(=O)C(=O)N1CCO[C@@H](C#N)C1 1117075400 GGPDUDCKVMTENG-YPMHNXCESA-N 319.365 -0.305 30 20 DBED CC(C)CONC(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1117360532 YPTSKIOVEBTSLB-QXMHVHEDSA-N 324.337 -0.667 30 20 DBED CC(C)(C)N1CCN(C(=O)C(=O)N2CCO[C@H](C#N)C2)CC1 1117901068 JECZGGNWPCGJCW-GFCCVEGCSA-N 308.382 -0.320 30 20 DBED Cc1ocnc1CNC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1119074263 OTOWZNAUVYNWKT-GFCCVEGCSA-N 317.349 -0.202 30 20 DBED C[C@H](CN(C)C(=O)c1nnn(C)n1)N=c1cc[nH]cc1C#N 1120501049 AEOVPHVZURVBOS-SECBINFHSA-N 300.326 -0.529 30 20 DBED Cc1c(C(=O)NC[C@@H](CO)Nc2cnc(C#N)cn2)cnn1C 1121045341 YJSOQBOQUVIDAH-NSHDSACASA-N 315.337 -0.407 30 20 DBED C#CCO[C@H](C)C(=O)NC1CC2(C1)CC(N[C@H](C)C(N)=O)C2 1121096935 HFUHQDYPQCBXGI-MKLDRDRKSA-N 307.394 -0.085 30 20 DBED CN1CC[C@H](CC(=O)NC[C@H](CO)Nc2ccc(C#N)nn2)C1 1121806445 LUGZYCOATGFKOI-DGCLKSJQSA-N 318.381 -0.421 30 20 DBED COCC(C)(C)C(=O)NC[C@H](CO)Nc1ccc(C#N)nn1 1122229587 GRVZRDAPTNCADE-LLVKDONJSA-N 307.354 -0.090 30 20 DBED CN(C[C@@H](O)CNc1ncccc1C#N)C(=O)c1cnon1 1124466278 MIHDCVAKIHKEPE-JTQLQIEISA-N 302.294 -0.119 30 20 DBED CN(C[C@H](O)CNc1ncccc1C#N)C(=O)[C@@H]1CCNC1=O 1124693942 KIDREHSUOJWEER-VXGBXAGGSA-N 317.349 -0.679 30 20 DBED CN(CCOCCN=c1cc[nH]c(C#N)n1)C(=O)c1cn[nH]c1 1127174736 ANTRXZCPNHGFSK-UHFFFAOYSA-N 315.337 -0.306 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)Cc1ccncc1C 1127378966 FKCKXAQZQNBXIJ-ZDUSSCGKSA-N 302.378 -0.224 30 20 DBED C#CCNC(=O)CC(=O)NCc1cnn2c1CN(CC)CC2 1128312556 PGZNAFRDADGTFC-UHFFFAOYSA-N 303.366 -0.526 30 20 DBED N#CCN1CCn2ncc(CNC(=O)C[C@@H]3CCNC3=O)c2C1 1128376519 IQFRLINSNOKXFN-NSHDSACASA-N 316.365 -0.635 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)CCc2cnn[nH]2)C1 1129271596 JCSQSPLACGDMFK-OLZOCXBDSA-N 314.353 -0.996 30 20 DBED C[C@H](O)CN[C@@H]1CN(C(=O)CSCC#N)C[C@@H]1n1ccnn1 1129604116 XHMFFHOEDSLGQL-TUAOUCFPSA-N 324.410 -0.743 30 20 DBED C#CCOCCC(=O)N1C[C@@H]2C[C@@H]3CN(CCOC)C[C@]2(C1)O3 1131227111 HIBANHHOQUKROS-ZMSDIMECSA-N 322.405 -0.026 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](C)[C@H](CNCCOC)C1 1132760689 AZUDYMVIEZHHDI-ZIAGYGMSSA-N 309.410 -0.154 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)NCCNCCn1cncn1 1134817205 QHDPYMVWNFLJQH-CYBMUJFWSA-N 308.386 -0.545 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1coc(C2CCC2)n1 1147097322 RLVMVLHRODVDEA-UHFFFAOYSA-N 305.338 -0.099 30 20 DBED C=CCN1CCCO[C@H](CNC(=O)CCS(=O)(=O)NC)C1 1149715239 QWVKXVAPEPKBHB-GFCCVEGCSA-N 319.427 -0.681 30 20 DBED N#CCN1CCCO[C@@H](CNC(=O)CC2CS(=O)(=O)C2)C1 1149931141 WFLADLQNWSBOOE-LBPRGKRZSA-N 315.395 -0.848 30 20 DBED C=CCN1CCCO[C@H](CNC(=O)CN2C(=O)CN(C)C2=O)C1 1150686267 YZPQUMYZUQDQHS-GFCCVEGCSA-N 324.381 -0.727 30 20 DBED C=CCNC(=O)CN(CC)[C@H](C)CNC(=O)[C@@H]1COC(=O)N1 1153070533 KRZAJUQJRDTOQG-MNOVXSKESA-N 312.370 -0.776 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1csc(COC)n1 1153373424 YQTZDXNULCKWCP-SNVBAGLBSA-N 324.406 -0.253 30 20 DBED CCN(CC#CCOC)[C@H](C)CNC(=O)C[C@@H]1CCNC1=O 1153798791 DABLSYDCGSNVNA-KGLIPLIRSA-N 309.410 -0.011 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)c1[nH]nnc1C 1154557732 VNPBHEOJCSAELO-SECBINFHSA-N 307.358 -0.807 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)CCCC(=O)NC 1156879473 KIBASYZSDBBHTE-LBPRGKRZSA-N 312.414 -0.311 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)[C@]2(F)CCOC2)C1=O 1164559475 POELEGUPFGEMJZ-WFASDCNBSA-N 313.373 -0.002 30 20 DBED CO[C@@H](C(=O)NCCCNCC(=O)NCC#N)C1CCCC1 1174804336 RRKUGEMPMMGYIH-CQSZACIVSA-N 310.398 -0.073 30 20 DBED CNC(=O)NC(=O)[C@@H](C)N[C@H]1CCN(C(=O)C#CC2CC2)[C@H]1C 1178671947 SDSFNCPWGKFLPJ-MDZLAQPJSA-N 320.393 -0.177 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2cn(C)nc2C)C1 1181690754 RJYIRUDHHBESPN-GFCCVEGCSA-N 303.366 -0.718 30 20 DBED C#CCCNC[C@H]1CCN(C(=O)CN2CCNC(=O)C2)C[C@@H]1C 1184932670 ADOFIFLSCQNLBD-LSDHHAIUSA-N 320.437 -0.484 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](N(C)CCN(C)S(C)(=O)=O)C1 1189390619 SCWSKAZSLKBIKA-NEPJUHHUSA-N 316.427 -0.430 30 20 DBED Cn1cnnc1COCC(=O)N1CC[C@H]2CN(CC#N)C[C@H]21 1189612134 GFFKKKUKFIGMTP-NWDGAFQWSA-N 304.354 -0.612 30 20 DBED C=CCCC(=O)N[C@@H]1CN(CC(=O)Nc2cnccn2)C[C@H]1O 1191714257 BINYTESZYRJYMV-VXGBXAGGSA-N 319.365 -0.457 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@@H]1CCN(C(=O)CC(=O)N(C)C)C1 1192760211 WNIUXBVCEQQDEY-CHWSQXEVSA-N 322.409 -0.865 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)COc2c(C)nn(C)c2C)C1 1193032600 WONFNMXOKLGTET-ZIAGYGMSSA-N 320.393 -0.400 30 20 DBED C#CCC1(C(=O)N[C@@H]2CN(Cc3ncnn3C)C[C@H]2O)CCC1 1193685797 PPPVWTPHBAFING-CHWSQXEVSA-N 317.393 -0.330 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)Cn2cncn2)C1 1193916619 VKTQYRPYUYZBQJ-GFCCVEGCSA-N 306.370 -0.887 30 20 DBED C#CCNC(=O)[C@H](C)N1CCCN(C(=O)[C@@H]2[C@H]3COC[C@H]32)CC1 1196831107 ONHPNXAETVCSDE-BYNSBNAKSA-N 319.405 -0.449 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC(N[C@H](C)c2nnnn2C)CC1 1200532364 PLQOKZZBZGZPGM-NEPJUHHUSA-N 320.397 -0.110 30 20 DBED C=CCNC1CCN(C(=O)CS(=O)(=O)CCOC)CC1 1201293724 PBJSCJCTGJNOCB-UHFFFAOYSA-N 304.412 -0.186 30 20 DBED CC#CCNC1CCN(C(=O)c2cnc(O)n(C)c2=O)CC1 1201931894 WGAJBNAEYRUIFZ-UHFFFAOYSA-N 304.350 -0.297 30 20 DBED C=CCNC(=O)CN[C@@H]1C[C@H](NC(=O)CC(N)=O)C12CCC2 1202653363 HEEZRVKDCFZLIA-MNOVXSKESA-N 308.382 -0.819 30 20 DBED N#CCN[C@H]1C[C@@H](NC(=O)CCCS(N)(=O)=O)C12CCC2 1203326323 UGTWXJFUDMRWTN-WDEREUQCSA-N 314.411 -0.404 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)C1=COCCC1 1206509294 IWEGURBBVOKWPZ-DGCLKSJQSA-N 306.366 -0.243 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@H](NCCOCC=C)C1 1207872333 OGZBJRBASZPDIV-AWEZNQCLSA-N 307.394 -0.091 30 20 DBED COCC#CCN[C@@H]1CCCN(C(=O)CCn2ccnn2)C1 1207898792 WSOGIAPETMQWBA-CQSZACIVSA-N 305.382 -0.101 30 20 DBED C=CCn1cc(C(=O)N2CCC[C@H](N[C@H](C)C(=O)NC)C2)nn1 1210010015 KYMIUCDVHQJZIP-NEPJUHHUSA-N 320.397 -0.207 30 20 DBED C=CCOCCN1C[C@@H](NC(=O)COCCOC)[C@H](OC)C1 1212051093 RPRKHXQKCCDNFJ-ZIAGYGMSSA-N 316.398 -0.333 30 20 DBED COCCCCC(=O)N1C[C@@H](NCC(=O)NCC#N)[C@H](C)C1 1214288373 YBKHQPBKGRCPNQ-CHWSQXEVSA-N 310.398 -0.121 30 20 DBED C=CCCN[C@@H]1CN(C(=O)[C@@H](CCC(N)=O)NC(C)=O)C[C@H]1C 1215944636 LDVYPYZNMLJXFG-MRVWCRGKSA-N 324.425 -0.231 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(CCCS(C)(=O)=O)C[C@@H]1O 1219587846 ZASUZVHCPJJYBD-OLZOCXBDSA-N 316.423 -0.758 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(CC(=O)N[C@H](C)C2CC2)C[C@@H]1O 1219589208 SVGWRAOXUFXZIP-YUELXQCFSA-N 321.421 -0.278 30 20 DBED Cc1nc(CN2C[C@H](O)[C@H](NC(=O)C#CC(C)(C)C)C2)n[nH]1 1219598057 GLZBZQHEJFGSDL-NEPJUHHUSA-N 305.382 -0.176 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1CN([C@H]2CCN(CC)C2=O)C[C@@H]1O 1220146837 SBYKYUCHPCYCNL-AGIUHOORSA-N 309.410 -0.019 30 20 DBED N#CCNC(=O)CN1CC[C@@H]2CCN(C(=O)c3ccon3)C[C@@H]21 1222357218 MEKWCIAMHBABJG-YPMHNXCESA-N 317.349 -0.149 30 20 DBED C=CCNC(=O)CN1CCC(CNC(=O)Cc2nc[nH]n2)CC1 1225131869 DHZSMWMHANSLLX-UHFFFAOYSA-N 320.397 -0.522 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCC(NC(=O)Cn2nccn2)CC1 1227554713 LBCWKYRQIJVEHA-GFCCVEGCSA-N 320.397 -0.451 30 20 DBED CC#CCN[C@@H]1CCCC[C@H]1NC(=O)c1cn(CC(N)=O)nn1 1230271034 ONXPVCZPUOTYQE-VXGBXAGGSA-N 318.381 -0.583 30 20 DBED COCC#CCN1CC[C@H]1CN(C)C(=O)CS(C)(=O)=O 1231015128 NYBANZHIAQQLEH-LBPRGKRZSA-N 302.396 -0.787 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)c1cc(C#N)c[nH]1 1231407919 QKLJWMZIBZSSNP-ZDUSSCGKSA-N 313.361 -0.218 30 20 DBED CN(CCCNC(=O)Cn1cnc(C#N)c1C#N)S(C)(=O)=O 1320264816 JKFXBCCRGKHSDG-UHFFFAOYSA-N 324.366 -0.976 30 20 DBED CN1C[C@H](NC(=O)C(=O)NCc2cccc(C#N)c2)CC1=O 1321550799 GVUMMJLYOBZISJ-GFCCVEGCSA-N 300.318 -0.479 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N[C@H]2CCN[C@H](C)C2)nn1 1326583291 HGOJQURZTILLCR-MNOVXSKESA-N 306.370 -0.663 30 20 DBED C[C@H]1CC2(CCNCC2)CN1C(=O)C(=O)N1CCO[C@H](C#N)C1 1329125047 HMDSZZGNAYUPCH-QWHCGFSZSA-N 320.393 -0.272 30 20 DBED C#CC1CCN(C(=O)C(=O)N[C@@H]2CCC[C@H]2C(=O)NC)CC1 1329354130 ZVUMGBSNCGWJFN-CHWSQXEVSA-N 305.378 -0.111 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@@H]1C[C@H]1C(C)C 1331712011 ZDILFBOZYKSAGI-WDEREUQCSA-N 302.396 -0.136 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N2CCCC[C@@H]2CN)CCN1C1CC1 1332138325 UIWGEGFNSPLNNS-ZIAGYGMSSA-N 319.409 -0.475 30 20 DBED C=CCn1c(N2CC[C@@H](NC(C)=O)C2)nnc1[C@]1(O)CCOC1 1340623293 CTFMQFOTTGQWCG-DOMZBBRYSA-N 321.381 -0.213 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N1CC[C@H](C(=O)OCC)C1 1341710145 YTMVOLSYXGZYES-STQMWFEESA-N 324.377 -0.057 30 20 DBED C=CCn1c(CO)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1342359948 WZWBXBCLEHDAII-LBPRGKRZSA-N 321.381 -0.216 30 20 DBED C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@@H](CO)NC(N)=O 1346043026 HSMQCUDPQCGFMQ-GFCCVEGCSA-N 311.338 -0.294 30 20 DBED N#CC1CCN(C(=O)C(=O)NCC(=O)N2CCCCC2)CC1 1346056194 ITJARKWLAJZHHK-UHFFFAOYSA-N 306.366 -0.123 30 20 DBED C=CCn1c(C2=NNC(=O)C2)nnc1N1CCO[C@@H](COC)C1 1356038185 LDCQSYCETYCXNE-SNVBAGLBSA-N 320.353 -0.460 30 20 DBED CCc1nc(CNC(=O)Cn2cc(C#N)c(O)nc2=O)co1 1362574214 NHOIDOQUURLOSL-UHFFFAOYSA-N 303.278 -0.313 30 20 DBED CN1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)nc2)CC1 1364074071 VSBJEBRMCQHNJN-UHFFFAOYSA-N 323.378 -0.994 30 20 DBED CCc1nc(CNC[C@@H](O)CNC(=O)c2cc(C#N)c[nH]2)no1 1367573136 UAZSBHNLABBMRP-SNVBAGLBSA-N 318.337 -0.288 30 20 DBED C[C@H](C#N)C(=O)N1CCC(N(CCO)Cc2cnnn2C)CC1 1368907926 UEUYVMJCRVORTG-GFCCVEGCSA-N 320.397 -0.240 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 1371708530 WBLMVPBABZOZCU-LDMBFOFVSA-N 322.365 -0.810 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C)CC(=O)N(C)Cc1cnn(C)c1 1377128468 HVDVDKLRKKLQCV-LBPRGKRZSA-N 320.397 -0.414 30 20 DBED C[C@@H](CN(C)C(=O)Cn1ncnn1)NC(=O)c1cc(C#N)c[nH]1 1381993340 HTALESSXEMXJMQ-VIFPVBQESA-N 316.325 -0.850 30 20 DBED C=C(Cl)CNC[C@H](O)CN(C)C(=O)c1c[nH]c(=O)cn1 1382419456 PQPOOGVFDDMCJC-VIFPVBQESA-N 300.746 -0.455 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CN(C)C(=O)CCCn1cccn1 1384227798 WQTJWXBVFULRAG-QWHCGFSZSA-N 321.381 -0.242 30 20 DBED C=C(Cl)CNC[C@@H](O)CNC(=O)c1ccc2nn[nH]c2n1 1401535059 CNTDXGVWIZHOIN-MRVPVSSYSA-N 310.745 -0.214 30 20 DBED C[C@@H](CN(C)C(=O)c1cnn[nH]1)NC(=O)c1c[nH]c(C#N)c1 1412582260 BIQSLHFOGALQQH-QMMMGPOBSA-N 301.310 -0.105 30 20 DBED C[C@H](Nc1[nH]c(=O)n(C)c(=O)c1C#N)C(=O)NCc1ccco1 1412873569 KGUNLGKOSZMAHP-QMMMGPOBSA-N 317.305 -0.345 30 20 DBED N#C[C@@H]1CCCN(C(=O)[C@@H]2CCCN(S(N)(=O)=O)C2)C1 1413545998 YHCJSBLZNRFELP-WDEREUQCSA-N 300.384 -0.336 30 20 DBED COC1(C(=O)NCCn2cc(C#N)c(O)nc2=O)CCOCC1 1418536358 MTDHTEJSGZYBSC-UHFFFAOYSA-N 322.321 -0.868 30 20 DBED COC[C@H](OC)C(=O)N1CCC2(C1)CN(C(=O)[C@H](C)C#N)C2 1428606663 RBJVWXVHXIRXTF-NEPJUHHUSA-N 309.366 -0.132 30 20 DBED COCC(=O)NCCC(=O)N(C)CCN(C)C(=O)[C@@H](C)C#N 1433183595 ZITYEDVTUGUQFS-NSHDSACASA-N 312.370 -0.784 30 20 DBED C=C(Cl)CNC[C@@H](O)CNC(=O)[C@H]1CCCS1(=O)=O 1439064446 WXLXUPAMNYKUNP-NXEZZACHSA-N 310.803 -0.617 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@](C)(CNC(=O)Cn2cnnn2)C1 1454022476 PZWNDVJDBLCEGD-BXUZGUMPSA-N 319.369 -0.422 30 20 DBED N#Cc1cn(CCC(=O)NCCc2ccccn2)c(=O)nc1O 1463605773 INQZXDPDXFWETO-UHFFFAOYSA-N 313.317 -0.035 30 20 DBED CC(=O)N[C@@H](C)C(=O)N(C)[C@@H](C)CNC(=O)c1cc(C#N)c[nH]1 1486835240 NUMYOVHACMUZAL-UWVGGRQHSA-N 319.365 -0.012 30 20 DBED C[C@@H](C#N)C(=O)N(C)C[C@@H]1CCN(C(=O)c2ncn(C)n2)C1 1497892191 AGSXRQRBEOHLHL-QWRGUYRKSA-N 304.354 -0.105 30 20 DBED C[C@@H](CN=c1cc[nH]c(-c2nn[nH]n2)n1)N(C)C(=O)[C@H](C)C#N 1573558825 PYBPPNYZQMAROG-BDAKNGLRSA-N 315.341 -0.503 30 20 DBED CC(C)N1C[C@@H](Nc2cnc(-c3nn[nH]n3)c(C#N)n2)CC1=O 1574287127 YZBCLUKEYPWZJX-QMMMGPOBSA-N 313.325 -0.050 30 20 DBED N#CCNC1(CNC(=O)[C@@H]2CCCN2Cc2cnn[nH]2)CCC1 1577709726 ACJGMKXNKHDFOL-ZDUSSCGKSA-N 317.397 -0.079 30 20 DBED C#CCNC(=O)CN(C)CCN(C(=O)[C@H]1C[C@H]1C(=O)O)C(C)C 1588484096 PVQGBCSCKDXDNO-QWHCGFSZSA-N 323.393 -0.375 30 20 DBED CC(=O)NCCN([C@H](C)C(=O)O)S(=O)(=O)CC(C)(C)C#N 1588508723 QADKVVPFHVNFPC-SECBINFHSA-N 319.383 -0.223 30 20 DBED C=C(C)C[C@@H](NC(=O)CN1CCCCS1(=O)=O)C(=O)O 1588542111 AUFADAPTKFEYOH-SNVBAGLBSA-N 304.368 -0.052 30 20 DBED C=C[C@H](O)c1nnc(N2C[C@H]3COCC[C@@]3(C(=O)O)C2)n1C 1588704569 GTOLMKZMJSUXSO-PKFCDNJMSA-N 308.338 -0.038 30 20 DBED C[C@@H](C(=O)N1C[C@H]2COC[C@@]2(C(=O)O)C1)n1cnc(C#N)n1 1602789789 XGJFUJOJMNFVTJ-RVBZMBCESA-N 305.294 -0.730 30 20 DBED C=CCn1cc(C(=O)N2CC[C@@]3(CC(C(=O)O)=NO3)C2)nn1 1602938113 TYNYBIBLYARXLB-CYBMUJFWSA-N 305.294 -0.090 30 20 DBED CC(C)[C@H](C#N)N1CCN(C(=O)c2cn(CC(=O)O)nn2)CC1 1602960931 MTWPDPHBNCGGES-LBPRGKRZSA-N 320.353 -0.331 30 20 DBED COCCc1noc(Cn2c(C)nc(C#N)c2-c2nn[nH]n2)n1 1609329817 CJFMCJIUAJIUST-UHFFFAOYSA-N 315.297 -0.137 30 20 DBED C=CCSCCNC(=O)C(=O)N1C[C@@H](O)C[C@H](C(=O)O)C1 1609461605 DXNKGLXYQFVFGG-UWVGGRQHSA-N 316.379 -0.684 30 20 DBED N#CCNC(=O)CNC(=O)C(=O)Nc1ccc(F)cc1C(=O)O 1610623162 RTUGMXIJSOCWQX-UHFFFAOYSA-N 322.252 -0.782 30 20 DBED Cn1c(=O)ccn(CC(=O)Nc2nc3ccc(C#N)cc3[nH]2)c1=O 1623604721 NBUIOZNNIGNBSY-UHFFFAOYSA-N 324.300 -0.066 30 20 DBED Cn1cc(S(=O)(=O)N2CCC(NC(=O)CC#N)CC2)cn1 1649756866 KIFNLFOHFQFCEB-UHFFFAOYSA-N 311.367 -0.397 30 20 DBED C=C(C)CCN[C@H]1C[C@H](NC(=O)C[C@H](NC(C)=O)C(N)=O)C1 1752670454 XERBMMVVBJTCNX-AVGNSLFASA-N 310.398 -0.431 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@H]1CCN(C(=O)c2cn(C)cn2)C1 1752933519 GBTSXENYUYEBQK-CHWSQXEVSA-N 317.393 -0.390 30 20 DBED C#CCN[C@H]1CCC[C@H](NC(=O)CCS(=O)(=O)NC)C1 1752966812 CMCPFAKQCLQJHE-RYUDHWBXSA-N 301.412 -0.424 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)CCNC(=O)CC1CCN(C)CC1 1753066268 IRPOFMBCMLDTGE-CQSZACIVSA-N 322.453 -0.096 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H]1CCN(Cc2nncn2C)C1 1753124764 MHSVPPWFEYXVAZ-QWHCGFSZSA-N 305.382 -0.209 30 20 DBED C=CCNC(=O)[C@H](C)NCCN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)C1 1753232663 FZZFMGPGLQARFS-XQQFMLRXSA-N 324.425 -0.373 30 20 DBED N#CCNC(=O)CN1CCO[C@@H](CNC(=O)C2(C3CC3)CC2)C1 1753657305 SHHFTRSTAWBYEF-ZDUSSCGKSA-N 320.393 -0.367 30 20 DBED C#CCNC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CCC(C)(C)C1 1753927153 DZEGYOAARFYVPZ-CHWSQXEVSA-N 309.410 -0.371 30 20 DBED C=CCNC(=O)[C@H](C)NC/C=C/CNC(=O)[C@H]1CCC(=O)N1C 1754162546 XVMKLHOLHVBRSC-JQSFKPKSSA-N 322.409 -0.440 30 20 DBED C[C@@H](CNCC(=O)NCC#N)NC(=O)C1(c2ccccn2)CC1 1754267565 OGUMVLMBJKQAFA-LBPRGKRZSA-N 315.377 -0.153 30 20 DBED C#CCN(C(=O)CN(C)C(C)C)C1CCN(CC(N)=O)CC1 1754643044 JBZIVKILOKPEDH-UHFFFAOYSA-N 308.426 -0.262 30 20 DBED C#CCN1CC[C@@H](N2CCN(C(=O)C[C@@H](C)NC(N)=O)CC2)C1 1754662668 DIWHWLSYFPASHK-ZIAGYGMSSA-N 321.425 -0.715 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(NCc2nc(=O)n(C)[nH]2)CCC1 1754980378 AGSMTEJEZZRKFO-LLVKDONJSA-N 321.381 -0.725 30 20 DBED CCC(=O)N[C@@H](C)C(=O)NC[C@@H]1CCC2(CN(CC#N)C2)O1 1755054301 MBRWAPTXEQCXID-RYUDHWBXSA-N 308.382 -0.226 30 20 DBED C=CCn1cc(C(=O)N2CCC[C@@](CO)(NC[C@@H](C)O)C2)nn1 1755089424 OTVATXPFNJRMQC-IUODEOHRSA-N 323.397 -0.598 30 20 DBED CC1(C)CN(C(=O)c2cnon2)C[C@H]1NCC(=O)NCC#N 1755764756 ZIZBZBDBDRHWJZ-SNVBAGLBSA-N 306.326 -0.850 30 20 DBED C=C(C)CNC[C@@H](O)CN(C)C(=O)[C@H]1CCCCS1(=O)=O 1755780583 JEUCOLXJAKCEGF-CHWSQXEVSA-N 318.439 -0.061 30 20 DBED C=C(C)CCNC[C@H](O)CN(C)C(=O)[C@H]1CCS(=O)(=O)N1 1755795856 LAEDMIOUDLSSBX-NWDGAFQWSA-N 319.427 -0.947 30 20 DBED COCC#CCNCCOCCN(C)C(=O)c1cn(C)c(O)n1 1755876955 XGVICQTZDYGPNN-UHFFFAOYSA-N 324.381 -0.546 30 20 DBED CC(C)C#CC(=O)NC1(CCO)CN(C(=O)Cn2cncn2)C1 1756081805 DUNWKAHTSKOQAQ-UHFFFAOYSA-N 319.365 -0.983 30 20 DBED C=CCOCC(=O)N1CCO[C@@H]([C@H](C)NC(=O)c2cc[nH]n2)C1 1756218273 RFSJAWRKJUELRK-WCQYABFASA-N 322.365 -0.042 30 20 DBED C=C[C@@](C)(CC)C(=O)NC[C@H](CO)NC(=O)c1cnn(C)c1N 1756547828 KRNMVRJNGBIXSS-BMIGLBTASA-N 323.397 -0.189 30 20 DBED C#CCOCCC(=O)N1C[C@@H](NC(=O)COCC)[C@H](OC)C1 1757113795 FQZBPVQVUBOWOW-CHWSQXEVSA-N 312.366 -0.595 30 20 DBED C=CCOCC(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CCN(C)C2=O)C1 1757327916 LDIPVCYIPJOGEK-XQQFMLRXSA-N 323.393 -0.322 30 20 DBED CO[C@@H]1C[C@H](C(=O)O)CN(S(=O)(=O)N(C)C[C@H](C)C#N)C1 1777158841 GYQVSNDLJQVWFH-OUAUKWLOSA-N 319.383 -0.256 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C(=O)OC)CC1)C2 1800455684 MUHRJBAXNRJDKO-PTEHBNRSSA-N 320.345 -0.838 30 20 DBED N#CC1(C(=O)N2CCCC23CN(C(=O)[C@@H]2CCC(=O)N2)C3)CC1 1842807575 RIHRVZJCKFNQEV-NSHDSACASA-N 316.361 -0.228 30 20 DBED C=CCNC(=O)[C@H](C)OC(=O)c1cc(S(N)(=O)=O)cn1C 26269892 BLCIADFAENKSGO-QMMMGPOBSA-N 315.351 -0.480 30 20 DBED Cc1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)c(C#N)c1C 131135419 WLUMHGLUASEWCS-JTQLQIEISA-N 300.322 -0.888 30 20 DBED C/N=C(/NCCn1cc(C)cn1)N[C@@H]1CCc2ncnn2C1 131702011 UTRFFGFUJHLDSR-GFCCVEGCSA-N 302.386 -0.037 30 20 DBED C[C@@H]1CN(c2nccnc2C#N)CCN1CCS(C)(=O)=O 155715444 YXXGLISMEYFYEU-LLVKDONJSA-N 309.395 -0.097 30 20 DBED Cc1cc(C(=O)N(C)CCC#N)nc2c1c(=O)n(C)c(=O)n2C 157044770 RPEKVCDCMBDHMZ-UHFFFAOYSA-N 315.333 -0.074 30 20 DBED CCOCCCN/C(N)=N/CC1CCN(S(C)(=O)=O)CC1 170913110 UDYLRCMJPGHQME-UHFFFAOYSA-N 320.459 -0.011 30 20 DBED C=CCN1CCC(NC(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)CC1 177239663 LZMZPINWEHMFED-QWHCGFSZSA-N 310.398 -0.031 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)c2cn(C)nc2C)CC1 264944390 INBGRDUYXROIKC-UHFFFAOYSA-N 317.393 -0.374 30 20 DBED C=CCSCCNC(=O)CNS(=O)(=O)CCOCC 268164558 QVMNBIZQFPFPMU-UHFFFAOYSA-N 310.441 -0.022 30 20 DBED COC[C@@](C)(C#N)NC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 269508712 CGFLHIURVQEPDZ-XDRYEDQOSA-N 317.345 -0.162 30 20 DBED CNC(=O)[C@H]1CN(C[C@@H](O)COc2ccc(C#N)cc2)CCO1 272908871 QZITXJUKBACWLD-UKRRQHHQSA-N 319.361 -0.255 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)CNS(=O)(=O)CC)C1=O 281595512 CVGAQVVUMLZOGT-SNVBAGLBSA-N 303.384 -0.829 30 20 DBED CO[C@@H]1[C@H]2C[C@@H]3CN(c4c(C#N)c(=O)n(C)c(=O)n4C)[C@H]1[C@H]3C2 286294946 JBOVIIYTPZURRM-CWUQZGLOSA-N 316.361 -0.185 30 20 DBED COCC[C@H]1COCCN1c1c(C#N)c(=O)n(C)c(=O)n1C 292395644 RFJFVAIVSPXBQA-JTQLQIEISA-N 308.338 -0.803 30 20 DBED COC(=O)[C@H](CC(C)C)NC(=O)Cn1c(N)nc(C#N)c1C#N 298271848 FFZWNZJGZQDDNO-VIFPVBQESA-N 318.337 -0.087 30 20 DBED O=C(NCC(=O)N1CCOCC1)c1cccc(C#CCO)c1 316904880 PJPGBPFLQIXNSB-UHFFFAOYSA-N 302.330 -0.381 30 20 DBED CCN1CCN(CCNS(=O)(=O)N(C)[C@H](C)CC#N)CC1 330404284 HBMXPQPLSJAIPY-CYBMUJFWSA-N 317.459 -0.308 30 20 DBED CC(=O)NCC/N=C(/O)NC[C@H]1CCCN1S(C)(=O)=O 330412510 LIDXTKDEASAUCO-SNVBAGLBSA-N 306.388 -0.950 30 20 DBED COCC(=O)NC1CN(S(=O)(=O)CC(C)(C)CC#N)C1 332039491 LIJVWTAXVWEKCH-UHFFFAOYSA-N 303.384 -0.297 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N1CCC[C@@H](S(C)(=O)=O)C1 336933050 CWLNOBHRZPUFJR-GHMZBOCLSA-N 323.440 -0.168 30 20 DBED CC(C)[C@@H](C#N)NC(=O)CN1CCN(S(C)(=O)=O)CC1 343632083 RIGLOFDEISUGRI-LLVKDONJSA-N 302.400 -0.772 30 20 DBED CC(C)(C)[C@H]1NC(=O)CC[C@H]1NC(=O)NCC(=O)NCC#N 347693530 XBLKVNRCZWIKND-SKDRFNHKSA-N 309.370 -0.381 30 20 DBED Cc1nn(C)c(N2CCN([C@@H](C)C(=O)NC(N)=O)CC2)c1C#N 349876092 CSROXTSNBPUNDA-JTQLQIEISA-N 319.369 -0.694 30 20 DBED C=CCNc1nnc(S(=O)(=O)CCOCCOC)s1 358738429 AGPJQLLEOCGORI-UHFFFAOYSA-N 307.397 0.573 30 20 DBED C=CCNC(=O)CNC(=O)N[C@H]1CCOC[C@@H]1OCCOC 362767397 XZHBKLKXHPCVFA-RYUDHWBXSA-N 315.370 -0.592 30 20 DBED N#Cc1cccc(CNC(=O)CN2CCN3C(=O)NC[C@@H]3C2)c1 364337601 MKOVQOQEVBZZLP-CQSZACIVSA-N 313.361 -0.116 30 20 DBED Cn1c(N[C@@H]2CC(=O)N3CCCC[C@@H]23)c(C#N)c(=O)n(C)c1=O 374586534 SEPLOMOICCIRPK-MNOVXSKESA-N 317.349 -0.479 30 20 DBED N#CC1(C(=O)N2CCN(CCS(N)(=O)=O)CC2)CCC1 408324021 GMEBMZWXSZFKMH-UHFFFAOYSA-N 300.384 -0.887 30 20 DBED C=CCCn1cc(C(=O)N2CCN(CCOC)C(=O)C2)nn1 424756058 DBDJLWHFKOJUIN-UHFFFAOYSA-N 307.354 -0.215 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N1CC[C@@H](CS(C)(=O)=O)C1 490471570 PJIITWIBJZXSFD-GHMZBOCLSA-N 323.440 -0.311 30 20 DBED C#CCN1CCN(C(=O)Cn2ncc3c2C[C@@H](O)CC3)CC1 490712870 HEHJGWPUPLKKKK-AWEZNQCLSA-N 302.378 -0.490 30 20 DBED C#CCN(C(=O)C(=O)Nc1cnn(CC(=O)OC)c1C)C1CC1 491653502 DEPFZPCZRUDVGN-UHFFFAOYSA-N 318.333 -0.073 30 20 DBED CN(C)C(=O)N1CCN(C(=O)CNc2ccc(C#N)cn2)CC1 560353678 ITLXPOUPPSFLRG-UHFFFAOYSA-N 316.365 0.191 30 20 DBED CS(=O)(=O)NC1CC(NS(=O)(=O)c2ccc(C#N)o2)C1 588132980 GBTTVUUXBDXIRR-UHFFFAOYSA-N 319.364 -0.490 30 20 DBED N#C[C@H]1CC[C@@H](NC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)C1 591796958 HALCEDKYCPMNOE-AHEIADTRSA-N 317.345 -0.043 30 20 DBED CC[C@@H](CNS(=O)(=O)N(CCC#N)CCOC)C(=O)OC 592076944 GFUUBYPQUUPCPM-NSHDSACASA-N 321.399 -0.118 30 20 DBED N#C[C@]1(NC(=O)Cn2nc3n(c2=O)CCCC3)CCSC1 593096704 YGVQBFHPHZFEBI-CYBMUJFWSA-N 307.379 -0.103 30 20 DBED N#Cc1cccc(NC(=O)NCc2cn(C[C@H](O)CO)nn2)c1 594643256 GAMCRDJHHPRFNU-ZDUSSCGKSA-N 316.321 -0.175 30 20 DBED CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1cc(O)cc(C#N)c1 598032309 ZTKNGRIODMTQEO-NWDGAFQWSA-N 310.331 -0.194 30 20 DBED CN1CCN(CCCS(=O)(=O)NCC2(C#N)CC2)CC1 601411551 XJIOHIGUDCHVEI-UHFFFAOYSA-N 300.428 -0.153 30 20 DBED N#Cc1cc(F)ccc1CS(=O)(=O)N[C@H]1COC[C@H]1O 601486522 GVAALYOXLHPHTN-NWDGAFQWSA-N 300.311 -0.124 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC1 635155258 ANVWVOQPGNXMLB-CHWSQXEVSA-N 317.393 -0.040 30 20 DBED CC#CC[C@@H](CO)NC(=O)CCCN1C(=O)NC(C)(C)C1=O 649192423 HMJXWDJTHVVGNU-NSHDSACASA-N 309.366 -0.013 30 20 DBED C=C[C@H](O)C(=O)N1CCN(Cc2ccc(C(N)=O)cc2)CC1 666455185 SBHTZWPGFATUNU-AWEZNQCLSA-N 303.362 -0.023 30 20 DBED C=CCN1CCC(NC(=O)c2cnn(C[C@H](O)CO)c2)CC1 668369387 WMJNLFLKGVNSTB-AWEZNQCLSA-N 308.382 -0.384 30 20 DBED CNC(=O)c1cncc(/C=C/C(=O)N(CC#N)CC(=O)O)c1 737552071 NSTHQLIBGUMDHA-NSCUHMNNSA-N 302.290 -0.109 30 20 DBED C#CCCCNC(=O)C(=O)Nc1ccc(S(C)(=O)=O)nc1 743971687 COQCTOOIFLKYLZ-UHFFFAOYSA-N 309.347 -0.047 30 20 DBED C#CCCN1CCC(NC(=O)CS(=O)(=O)N(C)C)CC1 752437951 FVHWWMHHDRFLRH-UHFFFAOYSA-N 301.412 -0.518 30 20 DBED CCN1CCN(CC(=O)Nc2ncc(C#N)s2)C(=O)C1=O 759632335 QXRBDOBHIABNAE-UHFFFAOYSA-N 307.335 -0.356 30 20 DBED C#CCNS(=O)(=O)N1CCN(CCOCC2CC2)CC1 761036860 FVHUFDWSEKAYKQ-UHFFFAOYSA-N 301.412 -0.502 30 20 DBED C#CCNS(=O)(=O)c1cccc(C(=O)NCC(=O)NCC)c1 761818466 OKCWQHVUBKBATL-UHFFFAOYSA-N 323.374 -0.536 30 20 DBED O=C(O)Cn1cc(C=NNC(=S)NC[C@@H]2CCCO2)nn1 768475725 ARQVPSQJVDBCKK-VIFPVBQESA-N 312.355 -0.660 30 20 DBED C#CCCCNC(=O)C(=O)Nc1cnn(CC(=O)OC)c1C 796872132 LUVJFCIGMLHSLW-UHFFFAOYSA-N 306.322 -0.167 30 20 DBED CC#CCS(=O)(=O)NC(=O)Cc1c(C)[nH]c2ccnn2c1=O 798201870 AMZVHXATHWTZJD-UHFFFAOYSA-N 322.346 -0.657 30 20 DBED C[C@]1(C2CC2)NC(=O)N(CC(=O)N[C@@H]2CCCN(O)C2=O)C1=O 816759190 HJKBTUXGCKEEEC-YMTOWFKASA-N 324.337 -0.797 30 20 DBED Cc1oc2ncn(C)c(=O)c2c1C(=O)N[C@H]1CCCN(O)C1=O 816759613 QMJLRWCCRLMZNY-QMMMGPOBSA-N 320.305 -0.055 30 20 DBED O=C1CC[C@](C(=O)N[C@H]2CCN(O)C2=O)(c2ccccc2)CN1 820137850 SUHVSQCCKYCOLQ-BLLLJJGKSA-N 317.345 -0.059 30 20 DBED C#CCNC(=O)COC(=O)c1oc(S(N)(=O)=O)cc1C 850253351 GYQRAOWZVOXCHM-UHFFFAOYSA-N 300.292 -0.858 30 20 DBED C#CC[C@@H](CO)NC(=O)Nc1cnn(CCN2CCOCC2)c1 878848904 DXNFDMXQGJBUCA-ZDUSSCGKSA-N 321.381 -0.279 30 20 DBED C=CCN(CCC#N)S(=O)(=O)CCS(=O)(=O)N(C)C 882215582 WREJBZFIWVMFQS-UHFFFAOYSA-N 309.413 -0.391 30 20 DBED O=S1(=O)CCC(=NN=C2NS(=O)(=O)c3ccccc32)C1 914599605 IMRYIXLXYSPDLF-UHFFFAOYSA-N 313.360 -0.100 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CCN(C(=O)[C@H]3CCC(=O)N3)C2)c1 939930603 USEFPPVPVOMIEG-GHMZBOCLSA-N 315.333 -0.504 30 20 DBED CO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)[C@H]1CCCN1C 941369321 DNYRTDDOCSYJKW-RBSFLKMASA-N 319.405 -0.164 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)c2ncccc2O)C1 944560385 JTFXXJBVDDIQRZ-QWRGUYRKSA-N 318.333 -0.096 30 20 DBED C[C@@H]1C[C@@H](NC(=O)Cn2ccc(O)nc2=O)CCN1CC#N 947512396 VNVPIORGLOVWKZ-MNOVXSKESA-N 305.338 -0.558 30 20 DBED C#Cc1cncc(C(=O)NC[C@@H]2CCN2C(=O)Cn2nccn2)c1 952014475 MSQNONGPMHQWSU-AWEZNQCLSA-N 324.344 -0.315 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)C1(C(N)=O)CC1 952175621 LVXRYNKDEYKMHW-UTUOFQBUSA-N 321.377 -0.440 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CCC[C@H](C1)N2C(=O)c1nnn(C)n1 952786484 HHASJUKSTKBOES-MXWKQRLJSA-N 317.353 -0.425 30 20 DBED C#Cc1cncc(C(=O)N(C)C2CCN(C(=O)C(N)=O)CC2)c1 954531958 BVXZSDHMTDOOKB-UHFFFAOYSA-N 314.345 -0.389 30 20 DBED Cn1nncc1C(=O)N[C@@]1(C)CCN(C(=O)C#CC2CC2)C1 956873573 BPQZQNIGCIPQDA-HNNXBMFYSA-N 301.350 -0.051 30 20 DBED Cc1cc(C(=O)N(C)[C@H]2CN(C(=O)C#CC3CC3)C[C@@H]2O)n[nH]1 958669559 PFGBGIUWEDCZIR-KBPBESRZSA-N 316.361 -0.225 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](CNC(=O)c2cn(C)c(=O)n2C)C1 958736630 SKYKAAGRXZTEIT-TZMCWYRMSA-N 322.409 -0.288 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2ccnc(O)c2)C1 958814016 TYOUXVCDRDBZHB-DLOVCJGASA-N 318.333 -0.409 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2[C@@H]3CN([C@H](C)C(=O)NC)C[C@@H]32)cn1 962327484 SXHVMOZBOBKXBQ-RABLLNBGSA-N 312.373 -0.143 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CN(C(=O)c3ccc[nH]3)C[C@@H]2O)c[nH]1 962388262 UWUIGNLTKZZLKR-OLZOCXBDSA-N 313.317 -0.170 30 20 DBED C=C(C)CCN1C[C@@H]2C(NC(=O)CN3C(=O)CNC3=O)[C@H]2C1 962487709 ZYYIUYOUJNJUCI-QWRGUYRKSA-N 306.366 -0.449 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@H](NC(=O)[C@]2(C)CCC(=O)N2)C1 970353497 XQKJENWBPXEHNN-GDLVEWKHSA-N 323.393 -0.445 30 20 DBED CN([C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1)[C@H]1CCNC1=O 971367216 RHIHYSXCWYNRDX-AAEUAGOBSA-N 301.350 -0.079 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@]2(CN(CCO)CCO2)C1 972560875 ITBKCXKQBUWBKS-YCPHGPKFSA-N 310.394 -0.127 30 20 DBED C#CCCN1C[C@@H](NC(=O)CN2CCNC(=O)C2)C(C)(C)C1 974919919 HJMRVKPYBMHFTF-CYBMUJFWSA-N 306.410 -0.732 30 20 DBED CC(=O)N1CC(C(=O)NC[C@H]2CCN(C(=O)C#CC3CC3)C2)C1 982742451 OOEABMNYHPWKEC-CQSZACIVSA-N 317.389 -0.157 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)c3cnn[nH]3)C[C@@H]2C1 986371679 WMTNQUQIDXICJA-MXWKQRLJSA-N 302.338 -0.115 30 20 DBED C=CCCn1cc(C(=O)N(C)C2CC(N[C@@H](C)C(N)=O)C2)nn1 999539408 FHOVPIBCMSRMBP-UNXYVOJBSA-N 320.397 -0.079 30 20 DBED C[C@H](C#N)C(=O)N1CC(NC(=O)C2CCS(=O)(=O)CC2)C1 1000282440 XCHKDVKLYDLOKY-SECBINFHSA-N 313.379 -0.702 30 20 DBED COC(=O)[C@@H]1C[C@H]1C(=O)NCC1CN(C(=O)C#CC2CC2)C1 1001167014 CUKZQHUAKKAMKE-CHWSQXEVSA-N 304.346 -0.217 30 20 DBED C[C@@H](C#N)C(=O)N1CC(CNC(=O)C2CCN(C(N)=O)CC2)C1 1001824571 NMTLECPGWHFWSM-JTQLQIEISA-N 321.381 -0.489 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(CNC(=O)[C@@H]2CCC(=O)N2)C1 1003480301 PEZKGNOGHXSVJR-AGIUHOORSA-N 321.377 -0.569 30 20 DBED C[C@H](C#N)C(=O)N1CC(CNC(=O)c2ccc(C(N)=O)[nH]2)C1 1004486538 LWXGZCGMRZVVSW-MRVPVSSYSA-N 303.322 -0.539 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCC1CN(C(=O)c2nc[nH]n2)C1 1004523062 BMKAHQYZPCUDMS-MNOVXSKESA-N 305.338 -0.416 30 20 DBED C[C@H]1CCN(C(=O)CC(N)=O)C[C@@H]1NC(=O)c1c[nH]c(C#N)c1 1004720820 ALLZDHAIAHLSIB-CABZTGNLSA-N 317.349 -0.271 30 20 DBED CC(C)c1nnnn1CC(=O)N1CCN(C(=O)[C@H](C)C#N)CC1 1011189017 USFSTGRFSWDNFE-LLVKDONJSA-N 319.369 -0.373 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2ccccc2OCC(N)=O)C1 1015181477 GEMNTUKDYHWSDO-GFCCVEGCSA-N 301.346 -0.012 30 20 DBED C#CCN1CCC2(CC1)C[C@H]2NC(=O)CN1C(=O)CNC1=O 1016964235 HCFVKZBOJBBLFA-LLVKDONJSA-N 304.350 -0.858 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(CN(C(=O)CCc3cnn[nH]3)C2)C1 1019455423 SZBQSSYGVJPGKJ-NSHDSACASA-N 316.365 -0.042 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2csc(O)n2)C1 1025150891 CRKVKWUSGUPKIE-LKEWCRSYSA-N 310.335 -0.690 30 20 DBED Cc1nc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2O)c(C)o1 1025285273 CSSCTEJFVMWQFF-WHGOUJPWSA-N 306.322 -0.247 30 20 DBED C=CCn1cc(C(=O)N2CCC[C@H](N(C)[C@H](C)C(N)=O)C2)nn1 1027606567 IDXPYOGSGQVCMU-NEPJUHHUSA-N 320.397 -0.126 30 20 DBED C#CCN1CCO[C@H](CNC(=O)[C@H]2CCc3nc[nH]c3C2)C1 1035575112 PUNKJBCBIVOPKK-QWHCGFSZSA-N 302.378 -0.035 30 20 DBED N#CCN1CC2(CCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)CC2)C1 1035807566 JSNXJWNBPZEJIJ-JTQLQIEISA-N 305.338 -0.968 30 20 DBED C#CCCN1C[C@H]2C[C@H]1[C@H]2NC(=O)CN1C(=O)NC(=O)C1(C)C 1037653676 OFQWPHOFTVTKKY-MDZLAQPJSA-N 318.377 -0.471 30 20 DBED CC(=O)NC(C)(C)C(=O)NC[C@]1(O)CCN(C(=O)[C@H](C)C#N)C1 1040310712 VOUZEDSPZAIMNN-MEBBXXQBSA-N 324.381 -0.860 30 20 DBED Cc1cc(C(=O)N2CC[C@@](O)(CNC(=O)[C@@H](C)C#N)C2)on1 1040762340 HICOPUQYULIJFM-LKFCYVNXSA-N 306.322 -0.164 30 20 DBED Cc1ncoc1C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1O 1040982582 KGVJVHLTFIDTKD-GHMZBOCLSA-N 314.305 -0.376 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(O)(CNC(=O)c2cc(C)no2)C1 1041432815 KUCUSJPTXUORBA-CQSZACIVSA-N 323.349 -0.387 30 20 DBED C=CCCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)[C@@H](C)OC)C1 1041874114 OUXUALGGJWFWAV-NWDGAFQWSA-N 314.382 -0.308 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)[C@]2(C)CCC(=O)NC2)C1 1041972941 LWQDXRFHVCCSJM-OAHLLOKOSA-N 323.393 -0.442 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)C[C@@](C)(O)C=C)C1 1042812457 OMROINNSVQGDTC-WFASDCNBSA-N 324.377 -0.959 30 20 DBED C=CCCCC(=O)N1CC(O)(CNC(=O)[C@H]2CCCNC2=O)C1 1043469993 BTZHPMQYECOJET-LBPRGKRZSA-N 323.393 -0.442 30 20 DBED C=CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2ncccn2)C1 1043568719 BMQQGOXCIQMFKO-NSHDSACASA-N 320.349 -0.629 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)Cc2cn(CC)nn2)C1 1044642461 FHTZJESCBRFCPG-UHFFFAOYSA-N 321.381 -0.504 30 20 DBED C=C[C@@H](CC)CC(=O)NCC1(O)CN(C(=O)Cn2cncn2)C1 1045069361 UCLJEAMVSJHICL-LBPRGKRZSA-N 321.381 -0.430 30 20 DBED Cc1nn(C)c(C)c1C(=O)N1CC(O)(CNC(=O)[C@H](C)C#N)C1 1045558935 CSBYZTSUCLWLBN-SECBINFHSA-N 319.365 -0.500 30 20 DBED Cc1cnoc1C(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1045676020 PBDNVCWCEPCBBR-UHFFFAOYSA-N 303.318 -0.300 30 20 DBED C#CCCN1CC[C@@H](N2CCN(C(=O)[C@H]3COC(=O)N3)CC2)C1 1046025355 XHAWISYYHWTOIF-ZIAGYGMSSA-N 320.393 -0.663 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)[C@]2(C)CCC(=O)N2)C1 1046203003 SLSCSYYXOPGFRV-HNNXBMFYSA-N 321.377 -0.996 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(O)(CNC(=O)[C@H]2CC23CC3)C1 1047141241 QQLRURHQKPLFSR-BXUZGUMPSA-N 308.378 -0.197 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2nc3ncccn3n2)C1 1047574058 XOVCXVLGXNMIKA-RYUDHWBXSA-N 314.349 -0.735 30 20 DBED CN(C(=O)c1cc2c(nc1O)CCC2)[C@H]1CN(CC#N)C[C@@H]1O 1047629216 TZQCNFUFSXRVJD-KBPBESRZSA-N 316.361 -0.083 30 20 DBED CCO[C@@H]1CN(C(=O)COC)C[C@H]1CN=c1cc[nH]c(C#N)n1 1047758046 YPBQSGXKRSHERU-VXGBXAGGSA-N 319.365 -0.308 30 20 DBED CN(C)CCn1ccc(C(=O)N2C[C@@H]3CN(CC#N)C[C@@H]3C2)n1 1048825010 LUWWJQJJKLQKRR-OKILXGFUSA-N 316.409 -0.028 30 20 DBED C=CCOCCCC(=O)N1CC[C@H]([C@H](C)NC(=O)C(N)=O)C1 1050404188 NUDWDIAXARJIIO-RYUDHWBXSA-N 311.382 -0.192 30 20 DBED N#CCN1CCOC[C@@H]1CNC(=O)c1ccnc2ccnn12 1050954712 YIHQLUMHWBNCGN-NSHDSACASA-N 300.322 -0.317 30 20 DBED CCCCN1CCOC[C@H]1C(=O)NC[C@@H]1COCCN1CC#N 1051043140 JLLRNLIEDHUPMD-CABCVRRESA-N 324.425 -0.172 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)c1c(OC)ncnc1OC 1051267547 CGTQWASICNAGCQ-NSHDSACASA-N 320.349 -0.442 30 20 DBED C#CCN1CCN([C@H]2CCN(C(=O)c3cnn(C)c3N)C2)CC1 1052017553 NCBLIAVSQXCPLC-ZDUSSCGKSA-N 316.409 -0.532 30 20 DBED C#CCCN1CCN([C@H]2CCN(C(=O)c3cn(C)nn3)C2)CC1 1052026639 RXUONTRFUAVYAE-AWEZNQCLSA-N 316.409 -0.330 30 20 DBED CN1CC[C@H](C(=O)N2CC[C@@H](N3CCN(CC#N)CC3)C2)C1=O 1052065948 QAFMSHCPLCSKHU-KGLIPLIRSA-N 319.409 -0.793 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)CN1CCOCC1)CCO2 1053226672 JVCQLSQJFJFLGP-UHFFFAOYSA-N 307.394 -0.745 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@@H]1C 1053301669 WPYSRWWIWCHPOK-RYUDHWBXSA-N 323.393 -0.335 30 20 DBED C#CCN1CC2(C1)CN(C(=O)[C@H]1CCCCC(=O)N1)CCO2 1053422086 WEAAGYIYWMXIDG-CYBMUJFWSA-N 305.378 -0.408 30 20 DBED C#CCCN1CC2(CC[C@H](CNC(=O)[C@@H]3CCC(=O)NC3)O2)C1 1053620397 LLFPNZYIBAAVTP-ZIAGYGMSSA-N 319.405 -0.115 30 20 DBED C#CCN1CC2(CC[C@H](CNC(=O)[C@H]3CCCN3C(C)=O)O2)C1 1053701342 SJTHDGJFZDZEFL-HUUCEWRRSA-N 319.405 -0.020 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@@H]2CN(C(=O)CC(=O)NC)C[C@@H]2C1 1055304059 OQIARAOAIBHJEO-UPJWGTAASA-N 321.377 -0.922 30 20 DBED C=CCOCC(=O)N[C@@]1(CO)CCCN(C(=O)COCC)C1 1055830632 ACXJIPDDUNJSCJ-HNNXBMFYSA-N 314.382 -0.305 30 20 DBED NC(=O)NCC(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)C#CC1CC1 1056220701 NAPNOVSHZVVWGO-CHWSQXEVSA-N 318.377 -0.340 30 20 DBED CN(c1cnc(C#N)cn1)[C@@H]1CCN(C(=O)c2cnnn2C)C1 1056908759 TZPNBFPKKNELKA-LLVKDONJSA-N 312.337 -0.172 30 20 DBED C#CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)c1cccn1C 1056988743 UZQVDENCIDMEKT-ZDUSSCGKSA-N 321.377 -0.386 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)c1cc(=O)n(C)o1 1057436802 FKTWCWATPIXBEU-UHFFFAOYSA-N 311.338 -0.505 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)CN(C)C(C)C 1057524393 DNHSHVLTYBNZJN-UHFFFAOYSA-N 311.426 -0.077 30 20 DBED C#CCO[C@H](C)C(=O)N(CCO)CCNC(=O)c1cncnc1 1057583422 POUHHVQWHNTUTJ-GFCCVEGCSA-N 320.349 -0.934 30 20 DBED N#Cc1cnc(N[C@H]2CCCN(C(=O)Cn3ncnn3)C2)cn1 1057697249 BMOKOKOMHARKLG-JTQLQIEISA-N 313.325 -0.562 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)C1CCN(C)CC1 1057991752 LBRUVULHQBJSSV-GFCCVEGCSA-N 310.398 -0.575 30 20 DBED Cn1ncc(C(=O)N[C@H]2CCCN(c3cnc(C#N)cn3)C2)n1 1058175511 OETSPJZSPUUPHA-JTQLQIEISA-N 312.337 -0.124 30 20 DBED C=CC(C)(C)C(=O)N(CCO)CCNC(=O)Cn1nccn1 1058302548 XVMBWHAEUOTLEU-UHFFFAOYSA-N 309.370 -0.573 30 20 DBED C#CCNC(=O)CC(=O)N1CCOC[C@@H]1CNC(=O)CCCC 1061301025 FSBBIJOQTDLTBG-ZDUSSCGKSA-N 323.393 -0.340 30 20 DBED N#Cc1nccc(N2CCC[C@@H]2CNC(=O)[C@@H]2CNC(=O)N2)n1 1061440952 LUXKCSFDRNXHLC-ZJUUUORDSA-N 315.337 -0.885 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1COCCN1C(=O)c1cncnc1 1061569564 HLGYXRCFAILOSB-CQSZACIVSA-N 314.345 -0.153 30 20 DBED COC(=O)NCC(=O)N1CCOC[C@H]1CNC(=O)C#CC1CC1 1061569781 LSTOZVKQOCPZID-GFCCVEGCSA-N 323.349 -0.901 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CCCCN1C(=O)CCNC(N)=O 1062206293 KSKMXUSJCHQQDO-WDEREUQCSA-N 309.370 -0.298 30 20 DBED N#Cc1cncc(N2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2COCCO2)n1 1062449150 GEATZQZXTIEPHQ-AVGNSLFASA-N 315.333 -0.447 30 20 DBED N#Cc1cncc(N2C[C@@H]3C[C@H]2CN3C(=O)c2nccnc2N)n1 1062459919 YJRKWSAFOMDFIO-QWRGUYRKSA-N 322.332 -0.176 30 20 DBED CN(C(=O)c1nnn(C)n1)[C@H]1CCN(c2cncc(C#N)n2)C1 1063013340 RFZCINLSROZPNY-JTQLQIEISA-N 313.325 -0.777 30 20 DBED C=CCOCC(=O)NC1(CNC(=O)[C@H]2CC(=O)N(C)C2)CCC1 1063328152 ZMMIVKQTSHEULV-LBPRGKRZSA-N 323.393 -0.178 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)C[C@H]2CC(=O)NC2=O)CCC1 1063596986 HZCZIMGIUHHYQE-UWVGGRQHSA-N 320.349 -0.646 30 20 DBED C#CCOCCC(=O)N1CCO[C@@H](CNC(=O)[C@H]2CCOC2)C1 1065150047 KHUZHSXZKVSLSU-KBPBESRZSA-N 324.377 -0.594 30 20 DBED C[C@@]1(CNc2ccc(C#N)nn2)CCN(C(=O)CC(N)=O)C1 1065402265 CPYUONTTXOMCMN-AWEZNQCLSA-N 302.338 -0.126 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)CC2(O)CCC2)C1 1065557687 UJKYLSGGGYPWQO-NEPJUHHUSA-N 309.366 -0.205 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H]1CCCN(C(=O)c2nc[nH]n2)CC1 1066173936 XZNFGDPJHNEOLL-RYUDHWBXSA-N 319.365 -0.046 30 20 DBED N#Cc1nc(=NC[C@@H]2CN(C(=O)C#CC3CC3)CCO2)cc[nH]1 1066626744 DXVFECSLVDODMS-CYBMUJFWSA-N 311.345 -0.177 30 20 DBED C#CCO[C@H](C)C(=O)N(C)CCCN(C)C(=O)Cn1ncnn1 1067430349 DOTFASHPDBZXDP-GFCCVEGCSA-N 322.369 -0.982 30 20 DBED N#Cc1c[nH]ccc1=NCC1CC(NC(=O)[C@H]2CCNC2=O)C1 1067876397 GFFKGYOJDUCLDS-GDKBPFBDSA-N 313.361 -0.182 30 20 DBED Cc1cc(C#N)nc(N[C@@H]2CCN(C(=O)CC(N)=O)[C@@H]2C)n1 1068808175 VNMFAMKTVKHTNO-MWLCHTKSSA-N 302.338 -0.067 30 20 DBED C[C@H]1C[C@@H](Nc2cncc(C#N)n2)CN1C(=O)Cn1cnnn1 1069005279 DUQWRHRTURTISH-VHSXEESVSA-N 313.325 -0.564 30 20 DBED C=C(C)CN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H]2COC(=O)N2)C1 1069917322 MLKDEDRZYYBRBW-UTUOFQBUSA-N 320.353 -0.696 30 20 DBED Cc1nc[nH]c1CC(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1 1070088709 AAEDFGZMHVMCEJ-OLZOCXBDSA-N 314.353 -0.583 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2nn(C)cc2C)C[C@@H]1n1ccnn1 1070193496 ARLBVYCFLFJION-OLZOCXBDSA-N 313.365 -0.391 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)Cc2ncc[nH]2)CCOCC1 1070219440 PZBVYNXRZHASMR-LLVKDONJSA-N 319.365 -0.107 30 20 DBED N#CCN[C@@H]1CN(C(=O)c2csnn2)C[C@@H]1n1ccnn1 1070246042 BBEVIARMKUVJDX-SCZZXKLOSA-N 304.339 -0.692 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2C=C)C[C@@H]1n1ccnn1 1070278119 QCWLTBCWRWAEKM-KBXIAJHMSA-N 315.377 -0.156 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2ccc(C#C)nc2)C[C@@H]1n1ccnn1 1070313455 OKSMJYUDTRTSHY-CVEARBPZSA-N 320.356 -0.057 30 20 DBED N#CCN1C[C@H]2C[C@H]3CN(C(=O)[C@@]4(F)CCOC4)C[C@@]3(C1)O2 1070843444 UEDHYHWLYKETDI-CTHBEMJXSA-N 309.341 -0.060 30 20 DBED C#CCN1CCC(C(=O)N[C@@H]2CC[C@H](C)N(CC(N)=O)C2)CC1 1072098787 FYRIOMZEHKIAQX-DZGCQCFKSA-N 320.437 -0.214 30 20 DBED C=CCN1C[C@@H](NC(=O)c2cn(CC(N)=O)nn2)CC[C@@H]1C 1072099517 SBRCFQOENWZVQA-QWRGUYRKSA-N 306.370 -0.468 30 20 DBED C=C(C)CN1CCC2(C1)CN(C(=O)c1cn(CC(N)=O)nn1)C2 1073457115 APCPHDIPIAQMKO-UHFFFAOYSA-N 318.381 -0.513 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCN(C(=O)c2nc[nH]n2)C[C@@H]1C 1073959917 IZICZMRHOKFVAW-NWDGAFQWSA-N 319.365 -0.189 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)Cc3nnc(C)o3)C[C@@H]21 1074232801 GBOXCLSGLSVGMM-QWHCGFSZSA-N 304.350 -0.145 30 20 DBED C=CCOCC(=O)NCC1(O)CCN(C(=O)c2cn[nH]c2)CC1 1074492804 AJCAVIQIHIARFF-UHFFFAOYSA-N 322.365 -0.304 30 20 DBED C[C@@H](CCNC(=O)c1ccc(C#N)[nH]1)NC(=O)Cn1ncnn1 1076182093 SHEVIEAEJHBBNX-VIFPVBQESA-N 316.325 -0.802 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)C[C@@H]1CCOC1 1076218987 OJVSNCHSWJTEGT-STQMWFEESA-N 323.393 -0.437 30 20 DBED CNC(=O)Nc1cccc(C(=O)N[C@@H]2CN(CC#N)C[C@H]2O)c1 1078004355 UEYCQBCHVDUIIQ-CHWSQXEVSA-N 317.349 -0.264 30 20 DBED C[C@@H](CCNC(=O)c1c[nH]c(=O)cn1)NC(=O)CSCC#N 1078075996 MRMHMOXRMCPYJM-VIFPVBQESA-N 323.378 -0.349 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)c2ccc3nnn(C)c3c2)C1 1078079772 IVNRNCZTQZODAH-TZMCWYRMSA-N 301.350 -0.071 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)c2ccc(N(C)C)cn2)C1 1078244560 IOCFREPQBZWISZ-HUUCEWRRSA-N 302.378 -0.054 30 20 DBED C[C@@H](CCNC(=O)[C@H]1C[C@H]1C(N)=O)NC(=O)c1ccc(C#N)[nH]1 1078486697 KUBMGTNACXSECZ-GDPRMGEGSA-N 317.349 -0.368 30 20 DBED C=CCN[C@H]1C[C@@H](NC(=O)CN2CCN(C)C(=O)C2)C12CCC2 1078663466 MZKWRUFYKFNSLU-UONOGXRCSA-N 320.437 -0.037 30 20 DBED C#Cc1cncc(C(=O)N2CC(N(CC)C(=O)C(N)=O)C2)c1 1080403997 OJVZMODDUJZRKK-UHFFFAOYSA-N 300.318 -0.779 30 20 DBED CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)Cc2n[nH]c(C)n2)C1 1080413281 VHGZLEYPZMFDBY-SECBINFHSA-N 304.354 -0.125 30 20 DBED CCCN(C)CC(=O)N1CCC(CO)(NC(=O)[C@H](C)C#N)CC1 1080982376 ZGTOWRATMRLESP-CYBMUJFWSA-N 324.425 -0.042 30 20 DBED O=C(COCC1CC1)NC[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1081297690 OEFPYOJXNSWYAP-LSDHHAIUSA-N 320.389 -0.238 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)c2cn(C)c(O)n2)C[C@@H]1O 1081335580 MMPZJUMXGODOJN-JQWIXIFHSA-N 322.365 -0.359 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)c2ccncn2)C[C@H]1O 1081438367 BNVMJXKYBGFDRI-TZMCWYRMSA-N 316.361 -0.171 30 20 DBED C=C(C)CCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2cn(C)nn2)C1 1081453117 PYSBQXQVFXKSSM-DGCLKSJQSA-N 321.381 -0.280 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)c2cncnc2)C[C@@H]1O 1081463443 NWKIMCILHNZWCU-KBPBESRZSA-N 316.361 -0.315 30 20 DBED C#CCCCC(=O)N1C[C@H](CNC(=O)c2cnon2)[C@@H](O)C1 1081685525 TYYFUAKLSLWRBD-JQWIXIFHSA-N 306.322 -0.578 30 20 DBED CO[C@@H]1CN(Cc2ccccc2C#N)C[C@H]1NC(=O)C(N)=O 1082086571 FINRWOCKSUHFSR-CHWSQXEVSA-N 302.334 -0.641 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1ccc2nn[nH]c2c1 1082365670 OLNXYLRHICXLOI-CHWSQXEVSA-N 300.322 -0.090 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)Cn1c(C)csc1=O 1082366218 RRYZKTLGVBYAIF-GHMZBOCLSA-N 310.379 -0.443 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1ccn2nnnc2c1 1083161683 OVTPDUCBFZWKBS-QWHCGFSZSA-N 312.333 -0.717 30 20 DBED C=CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)C[C@@H]1CC(=O)NC1=O 1083292409 FGSNTXJUSYCFJZ-SDDRHHMPSA-N 307.350 -0.863 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)NC2CC2)C[C@@H]1O 1083790103 OORXFFKDASZJBH-MQYQWHSLSA-N 323.393 -0.983 30 20 DBED C=C(Cl)CN1CC[C@@H]1CN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 1085847659 ILMLUCNAXQBHAG-ZJUUUORDSA-N 314.773 -0.130 30 20 DBED C=CCn1cc(C(=O)N(C)C[C@@H]2CCN2CC(=O)NC)nn1 1085861359 WLOAELNIDCHZIZ-NSHDSACASA-N 306.370 -0.644 30 20 DBED C#CCN[C@H]1CCCCCN(C(=O)CN2CCN(C)C(=O)C2)C1 1088338807 OBSJAHBBASLKSX-HNNXBMFYSA-N 320.437 -0.246 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@@H]2COC(=O)N2)CC2(CCOCC2)C1 1089939185 MSORLCZKWCOCDT-STQMWFEESA-N 321.377 -0.285 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2cc(=O)c(OC)co2)[C@@H](O)C1 1090433126 OVELUIAGYGZTSV-AAEUAGOBSA-N 320.345 -0.163 30 20 DBED COC[C@@H](OC)C(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1O 1090528497 UMAKHIRZOSDGGN-MGPQQGTHSA-N 320.349 -0.720 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(c2nc(C)cc(C)n2)C[C@@H]1O 1091152806 IULCDZRRNUKFJK-MJBXVCDLSA-N 318.377 -0.203 30 20 DBED COCCCC(=O)N[C@H]1CCN(c2cnc(C#N)cn2)C[C@@H]1O 1092136105 DISIVQWNIDZNBH-STQMWFEESA-N 319.365 -0.169 30 20 DBED CCCC(=O)NCC(=O)N1CCN(c2cnc(C#N)cn2)CC1 1093142435 LCJLVHBCIUXMFN-UHFFFAOYSA-N 316.365 -0.087 30 20 DBED CC#CCN1C[C@@H](C)[C@H](CNC(=O)[C@@H]2CN(C(C)=O)CCO2)C1 1093169262 BKWYBHIWQWCEST-BMFZPTHFSA-N 321.421 -0.059 30 20 DBED N#Cc1c(F)cccc1N1C[C@H]2[C@H](NC(=O)CNC(N)=O)[C@H]2C1 1093210351 MPIUJTZGJOMVPB-MSRIBSCDSA-N 317.324 -0.084 30 20 DBED CN(C)S(=O)(=O)CC(=O)NCCNc1ccc(C#N)nc1 1093785655 HOLUNQYXOXKHIM-UHFFFAOYSA-N 311.367 -0.627 30 20 DBED CN(CC(=O)NCCNc1cnc(C#N)cn1)C(=O)C1CC1 1094190230 DSLSFKQINQGLDR-UHFFFAOYSA-N 302.338 -0.255 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)c3cc(C)n(C)n3)CC2=O)C1 1094714383 VXYKKXMGXTYJJF-LBPRGKRZSA-N 315.377 -0.623 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)Cn3ccc(C)n3)CC2=O)C1 1094787579 ZKYVKAMUZUFGAU-ZDUSSCGKSA-N 317.393 -0.221 30 20 DBED CCN(CCCNC(=O)[C@H]1COC(=O)N1)c1ccnc(C#N)n1 1095871152 ZNNOKOILMRAEPY-SNVBAGLBSA-N 318.337 -0.211 30 20 DBED C[C@H](CNC(=O)CCn1cnnn1)Nc1ccc(C#N)nc1 1098010769 DRAWAXFQIMAPHS-SNVBAGLBSA-N 300.326 -0.053 30 20 DBED Cc1cc(C#N)nc(N[C@H](C)CNC(=O)[C@H]2CCNC2=O)n1 1098211006 CJDQAIIGCXOKQG-KOLCDFICSA-N 302.338 -0.291 30 20 DBED Cc1nnc(CC(=O)N2CCC(N(CC#N)CCO)CC2)o1 1098358654 PTWJKXJCPDPQKA-UHFFFAOYSA-N 307.354 -0.271 30 20 DBED C=CCOCC(=O)N1CC[C@@H](n2cc(CNC[C@H](C)O)nn2)C1 1098637128 IBWGSJCNTUUKET-GXTWGEPZSA-N 323.397 -0.276 30 20 DBED N#CCNCc1cn([C@@H]2CCN(C(=O)CCCC(N)=O)C2)nn1 1098790249 QCDBNKPIDUNXLY-GFCCVEGCSA-N 319.369 -0.680 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2ccncc2)[C@H](O)C1 1099620749 QJDUZUCKBVHKMQ-HUUCEWRRSA-N 303.362 -0.104 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)c2ccoc2)[C@@H](O)C1 1099659650 IQUPMNIXNHAJEO-STQMWFEESA-N 305.334 -0.806 30 20 DBED N#CCSCC(=O)N[C@H]1CCN(CCn2cncn2)C[C@H]1O 1099686078 ABPUFHQZLCQCBB-NWDGAFQWSA-N 324.410 -0.914 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2nccc(C)n2)[C@H](O)C1 1099800037 WRPREMSSMMRODP-ZIAGYGMSSA-N 318.377 -0.400 30 20 DBED C#CCCCC(=O)N[C@H]1CCN(Cc2nc(O)n[nH]2)C[C@H]1O 1099803763 CXHFOFUQYWUMBR-WDEREUQCSA-N 307.354 -0.635 30 20 DBED C=CCCN1CC[C@@H](NC(=O)CCNS(C)(=O)=O)[C@H](O)C1 1099860491 CQCSAFYECVDQQS-VXGBXAGGSA-N 319.427 -0.947 30 20 DBED N#Cc1cncc(N2CCC[C@@H]2CCCNC(=O)C(N)=O)n1 1099875713 KGMMKGQBQNSAIY-NSHDSACASA-N 302.338 -0.301 30 20 DBED C=CCCCN1CC[C@@H](NC(=O)c2cn(C)c(=O)cn2)[C@@H](O)C1 1099924278 RBJANMXSBOQYPN-OCCSQVGLSA-N 320.393 -0.089 30 20 DBED C#CCN1CC[C@H](NC(=O)CCNC(=O)c2ccco2)[C@H](O)C1 1100101437 MFDAGIOIRSMMSF-QWHCGFSZSA-N 319.361 -0.416 30 20 DBED NC(=O)CN1CC[C@H](NC(=O)CC#Cc2ccccc2)[C@@H](O)C1 1100119340 ILVXLAAVJRZGBC-GJZGRUSLSA-N 315.373 -0.535 30 20 DBED COCC(=O)NCCC(=O)NCCN(C)c1ccc(C#N)nc1 1100375048 PEWFZVPNGDRIOD-UHFFFAOYSA-N 319.365 -0.342 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)c2c(C)ncn2C)C1 1100423584 PMLAIDCEDPALRG-UHFFFAOYSA-N 317.393 -0.424 30 20 DBED CCNC(=O)CC(=O)NC[C@@H]1CCCN1c1cncc(C#N)n1 1100831917 MFOCWGAFJLIMHZ-LBPRGKRZSA-N 316.365 -0.041 30 20 DBED CC(=O)N(C)CC(=O)NC[C@@H]1CCN(c2ccnc(C#N)n2)C1 1100959882 OTXGGFIBAMYHBQ-LBPRGKRZSA-N 316.365 -0.231 30 20 DBED CN(CCNc1ccc(C#N)nn1)C(=O)c1nc2ncccn2n1 1101723617 LXFJMLJLOVQSHY-UHFFFAOYSA-N 323.320 -0.030 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CCCCN(c2cnc(C#N)cn2)C1 1102853815 DAOFTMZPNYZWAD-LLVKDONJSA-N 316.365 -0.041 30 20 DBED C#CCOCCC(=O)NC[C@H](CC)Nc1nccn2nnnc12 1103193168 NOOUBUYPPJDQAN-NSHDSACASA-N 317.353 -0.134 30 20 DBED CC[C@@H](CNC(=O)[C@@H]1CCCNC1=O)N=c1cc[nH]c(C#N)n1 1103216980 MYMITFLYLGGSJG-WDEREUQCSA-N 316.365 -0.397 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)[C@H]1C[C@H]1C(N)=O 1104208897 KEBBFPDZGXNAMY-BBBLOLIVSA-N 302.338 -0.944 30 20 DBED C[C@H](CNc1cncc(C#N)n1)N(C)C(=O)[C@H]1CN(C)C(=O)N1 1104765990 AOONUKIYIKJSSZ-MWLCHTKSSA-N 317.353 -0.369 30 20 DBED CN(CCN(C)c1ccc(C#N)nn1)C(=O)[C@@H]1CCC(=O)N1C 1105533929 NHFCDAYWMJMCIV-LBPRGKRZSA-N 316.365 -0.136 30 20 DBED COC[C@@H](OC)C(=O)N(C)CCN(C)c1ccc(C#N)nn1 1105562413 HIADCPNNMUITAL-GFCCVEGCSA-N 307.354 -0.096 30 20 DBED CCCC(=O)NCC(=O)NC[C@H](O)CN=c1cc[nH]cc1C#N 1105727715 SGPSOVLXEPIFKW-GFCCVEGCSA-N 319.365 -0.820 30 20 DBED Cc1cc(C(=O)NC[C@H](O)CN=c2cc[nH]cc2C#N)n(C)n1 1105732955 DDSIHTUYESQAKY-GFCCVEGCSA-N 314.349 -0.380 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)[C@@H]2CCCOC2)nn1 1105741213 BBFRMWOTYVTJPO-PWSUYJOCSA-N 305.338 -0.336 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H](O)CNC(=O)Cc1ccon1 1105763750 NXHMVZSXGJTWJO-LBPRGKRZSA-N 301.306 -0.505 30 20 DBED CCn1cc(C(=O)NC[C@@H](O)CNc2nccnc2C#N)cn1 1105765916 KIOTYLYXVSWEQT-NSHDSACASA-N 315.337 -0.233 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](O)CNC(=O)c2nonc2C)n1 1105884226 DAHVSZRVVOXREU-JTQLQIEISA-N 317.309 -0.449 30 20 DBED Cc1n[nH]c(C)c1C(=O)NC[C@H](O)CNc1cnc(C#N)cn1 1105932404 ITUMLPQAPLNGHZ-LLVKDONJSA-N 315.337 -0.109 30 20 DBED C[C@@H]1CC[C@H](C(=O)NC[C@@H](O)CNc2cnc(C#N)cn2)O1 1106110077 FVMYBPYIIRNNJI-ADEWGFFLSA-N 305.338 -0.195 30 20 DBED C=CCNC(=O)CNC[C@@H]1CN(C(=O)[C@@H](C)CC(N)=O)C[C@H]1C 1106522114 DFNJDRKBKMBYMF-YNEHKIRRSA-N 324.425 -0.516 30 20 DBED C[C@@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)CCc1cnn[nH]1 1106572567 VYISYQUFQRRHNV-JTQLQIEISA-N 314.353 -0.172 30 20 DBED C=CCNC(=O)CN1CCO[C@](C)(CNC(=O)CCOC)C1 1107666566 AKPMCXPTKHQFJC-OAHLLOKOSA-N 313.398 -0.468 30 20 DBED C=CCCO[C@@H](C)C(=O)NC[C@@]1(C)CN(CC(N)=O)CCO1 1107792053 FUJHRJQQRTWEOC-WFASDCNBSA-N 313.398 -0.340 30 20 DBED C[C@H](CNc1cnc(C#N)cn1)NC(=O)CCn1cnnn1 1107891286 UTZWPRIOBOCSIK-SECBINFHSA-N 301.314 -0.658 30 20 DBED C=C(C)CN1CC(N2C[C@H](NC(=O)[C@H](C)NC(N)=O)CC2=O)C1 1108537737 UFQFDWSJUCYJTC-WDEREUQCSA-N 323.397 -0.979 30 20 DBED C#CCCCCC(=O)N[C@H]1CC(=O)N(C2CN(C[C@H](C)O)C2)C1 1108538038 ZNLXYMJZRWCEHM-KBPBESRZSA-N 321.421 -0.038 30 20 DBED COCC#CCN1CC(N2C[C@@H](NC(=O)[C@@H]3C[C@H]3C)CC2=O)C1 1108559877 YOJRMYOWKGETKX-VNHYZAJKSA-N 319.405 -0.307 30 20 DBED CCC(=O)NCC(=O)N[C@H](C)CN(C)c1cncc(C#N)n1 1108879737 JFYXDLPKIZVAHF-SNVBAGLBSA-N 304.354 -0.185 30 20 DBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cnns1 1108980876 SODYWLOHCLUICN-UTLUCORTSA-N 320.378 -0.487 30 20 DBED Cc1ccc(C#N)c(N(C)C[C@H](C)NC(=O)[C@H]2CNC(=O)N2)n1 1109210522 BYRPMYXRWZPFQC-CMPLNLGQSA-N 316.365 -0.116 30 20 DBED N#Cc1cnccc1N1C[C@H]2C[C@H]1[C@H]2NC(=O)CCNC(N)=O 1109708737 MWQQKJMSXYQSSV-LQJRIPTKSA-N 314.349 -0.295 30 20 DBED CS(=O)(=O)CC(=O)N[C@H](CN=c1cc[nH]c(C#N)n1)C1CC1 1109768295 FHKFCROJNFDAKV-SNVBAGLBSA-N 323.378 -0.879 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cnn(C)n1 1109836953 KVHQQCKFZYARRA-DYEKYZERSA-N 303.366 -0.200 30 20 DBED Cn1nnc(C(=O)N[C@@H](CNc2ccc(C#N)nn2)C2CC2)n1 1109967174 OYNWMHGEMIJNNH-JTQLQIEISA-N 313.325 -0.508 30 20 DBED CCOCC(=O)N[C@@]1(CO)CCCN(c2ccc(C#N)nn2)C1 1111326678 RDIUEARULXYBRV-HNNXBMFYSA-N 319.365 -0.168 30 20 DBED CNC(=O)NCC(=O)N[C@]12CCC[C@H]1CN(CC#CCOC)C2 1111770846 FAHKMLLUECWMNZ-BBRMVZONSA-N 322.409 -0.464 30 20 DBED C[C@H](NC(N)=O)C(=O)NC[C@@H](C)N(C)c1ccc(C#N)nc1 1113576839 YAKRBIGLWIXKKH-ZJUUUORDSA-N 304.354 -0.049 30 20 DBED N#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3ccnc(O)c3)[C@H]2C1 1114138960 JQSFVQTWEWOEPK-QWRGUYRKSA-N 315.333 -0.913 30 20 DBED Cc1nsc(N2C[C@H]3C(CNC(=O)CC(N)=O)[C@@H]3C2)c1C#N 1114546815 KKRAXSUJQOYVQA-QWRGUYRKSA-N 319.390 -0.003 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)[C@@]3(COC)CCOC3)[C@@H]2C1 1114630400 ZKVCSPBLMUHJII-CKEIUWERSA-N 322.405 -0.264 30 20 DBED CCc1nocc1C(=O)NC1[C@H]2CN(CC(=O)NCC#N)C[C@H]12 1114787394 SALXYUSEVYALJS-UWVGGRQHSA-N 317.349 -0.463 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)[C@@H](CC)NC(C)=O)[C@@H]2C1 1114861776 IHCKQFZWSKOGHO-JHJVBQTASA-N 322.409 -0.750 30 20 DBED Cc1ccc(C#N)cc1NC(=O)C(=O)NCC(=O)NCCO 1116709112 FPHIVYJYKUMEMM-UHFFFAOYSA-N 304.306 -0.970 30 20 DBED C[C@H](CN(C)C(=O)c1cncnc1O)N=c1cc[nH]c(C#N)n1 1120253733 XKTAGTGPDJDQKB-SECBINFHSA-N 313.321 -0.162 30 20 DBED N#Cc1nccnc1N[C@@H](CO)CNC(=O)CO[C@H]1CCOC1 1122071995 UACZSYXFMQCDKQ-MNOVXSKESA-N 321.337 -0.957 30 20 DBED Cc1nocc1C(=O)NC[C@H](CO)Nc1cncc(C#N)n1 1122438648 VXOFJXWWTHZPEH-SNVBAGLBSA-N 302.294 -0.153 30 20 DBED Cc1ccnn1CC(=O)NC[C@@H](CO)Nc1cnc(C#N)cn1 1122687454 JDZLZRWEJVWISS-LBPRGKRZSA-N 315.337 -0.558 30 20 DBED CCC(=O)N[C@@H](C)C(=O)NC[C@H](CO)Nc1ccc(C#N)nn1 1122751887 CUVQHMOXPCVGGH-GXSJLCMTSA-N 320.353 -0.848 30 20 DBED C#CCSCC(=O)N[C@H]1CCN(c2cc(=O)n(C)c(O)n2)C1 1123977307 HAPUDZZOQAZFFV-JTQLQIEISA-N 322.390 -0.453 30 20 DBED CCO[C@@H](CC)C(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1 1128770434 UESCIGPHNRTXGQ-AGIUHOORSA-N 306.370 -0.042 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(CCOCC)C[C@@H]1n1ccnn1 1128812044 NVEGQPYXABDLEV-KGLIPLIRSA-N 323.397 -0.141 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)[C@H]1C[C@H]2C=C[C@H]1O2 1130470056 FUIZILJREMAVMG-HZSPNIEDSA-N 320.393 -0.202 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@@H]1CCn2ccnc2C1 1130481032 IPWUJWXLVHYLII-GFCCVEGCSA-N 305.382 -0.547 30 20 DBED N#CCNC(=O)CNCCNC(=O)[C@H]1Cc2ccccc2O1 1131019186 UICPJXPDAGEGBI-CYBMUJFWSA-N 302.334 -0.664 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)COCc1ncc(C)o1 1131168644 OHSVBIMZYCAXOS-GFCCVEGCSA-N 322.365 -0.657 30 20 DBED C[C@@H]1CCN(C(=O)C(=O)NCC(F)F)C[C@H]1CNCC#N 1132937425 KNDIZECYZQNHFO-NXEZZACHSA-N 302.325 -0.035 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)C1=CCOCC1 1134163503 BMJKYUBUWOPVSM-OLZOCXBDSA-N 307.394 -0.045 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)c2cn(CC=C)nn2)C1=O 1134970040 OYQSMMAADGMQFD-GFCCVEGCSA-N 318.381 -0.430 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)C[C@@H]2CCC(=O)N2)C1=O 1135218586 JWWNQPUOWSWBIK-RYUDHWBXSA-N 308.382 -0.852 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1ccc(N(C)C)nn1 1148148541 CILOWILETMHRKU-UHFFFAOYSA-N 306.370 -0.836 30 20 DBED N#CCN1CCCO[C@@H](CNC(=O)C[C@@H]2CCC(=O)NC2)C1 1149841970 NFANFNLSHCMJHD-STQMWFEESA-N 308.382 -0.367 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cccc(CN(C)C)c1 1152236884 HIWVEODNDMPNFZ-UHFFFAOYSA-N 316.405 -0.183 30 20 DBED CCN(CC#N)[C@H](C)CNC(=O)Cn1[nH]cc2c(=O)ncnc1-2 1155872360 WDEVCFJXWPZJQI-SNVBAGLBSA-N 317.353 -0.579 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)Cc1cc(C)[nH]n1 1156447272 QMGSQQJFHNDOSR-LBPRGKRZSA-N 305.382 -0.506 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)C[C@@](C)(O)C1CC1 1156777012 IINJAJDORXJMAJ-MLGOLLRUSA-N 309.410 -0.229 30 20 DBED C=CCOCCNCCCNC(=O)[C@H](CCC)S(N)(=O)=O 1163213474 QXTSYRFDQIEHJY-LBPRGKRZSA-N 321.443 -0.258 30 20 DBED C=C[C@@](C)(CCOC)C(=O)NCCCNCC(=O)NCC#N 1163339343 NHEKSZHBTALUQN-HNNXBMFYSA-N 310.398 -0.049 30 20 DBED C=C(C)CNCC1(CCNC(=O)CN2CCNC(=O)C2)CC1 1166561779 YGHOGYONSLLJHD-UHFFFAOYSA-N 308.426 -0.130 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)NCCCN[C@H]1CCNC1=O 1167685445 SKRLKXRNTJTAQM-QWHCGFSZSA-N 310.398 -0.558 30 20 DBED C#CCCNCC1(CCNC(=O)C[C@@H]2CC(=O)NC2=O)CC1 1168581637 XYAIIFMTJFVDQG-GFCCVEGCSA-N 305.378 -0.061 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@@H]1Cc2cccnc2C1 1174746453 UUHQPNITHLKQIX-CQSZACIVSA-N 314.389 -0.358 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)C[C@@](C)(O)C=C)[C@H]1C 1178572575 LVUJYXWWVBPALY-XEZPLFJOSA-N 307.394 -0.358 30 20 DBED C=CCNC[C@@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C[C@@H]1C 1185752452 SFXNPSCILLJHIH-RYUDHWBXSA-N 320.397 -0.363 30 20 DBED C=CCNC(=O)[C@H](C)N(C)[C@H]1CCN(C(=O)CN(C)C(C)=O)C1 1188973812 JDAWSLMHBGGVEE-JSGCOSHPSA-N 324.425 -0.312 30 20 DBED CCN(C)CCC(=O)N1CC[C@H]2CN(CC(=O)NCC#N)C[C@H]21 1189653001 PPZYBPSWMPIACK-UONOGXRCSA-N 321.425 -0.499 30 20 DBED CCCSCC(=O)N[C@@H]1CN(CC#CCOC)C[C@H]1O 1191369287 KBPTWAIYWPMJBF-CHWSQXEVSA-N 300.424 -0.059 30 20 DBED C=CCOCCCC(=O)N[C@@H]1CN(Cc2cnn(C)n2)C[C@H]1O 1192054173 MNNOITJERFMGOA-ZIAGYGMSSA-N 323.397 -0.541 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(Cc2cc(C)ncn2)C[C@H]1O 1192531074 TUBHLJXDTHDDRW-FMKPAKJESA-N 320.393 -0.227 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)c2nccc(C)n2)C1 1192563459 IFUHIAQJRGKAPO-CHWSQXEVSA-N 306.366 -0.237 30 20 DBED CCn1ccc(CN2C[C@@H](O)[C@H](NC(=O)C#CC3CC3)C2)n1 1192821938 RDPJUVYAPDBBCT-HUUCEWRRSA-N 302.378 -0.022 30 20 DBED C=CCCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 1196185020 MRYYBGWJIYIVOE-REWJHTLYSA-N 309.410 -0.162 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)CNC(=O)c2cccnc2)C1 1196333409 JHXFGBBZYMTOJH-ZIAGYGMSSA-N 318.377 -0.451 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@H](CC(=C)C)NC(C)=O)C1 1196691820 KXMDHMQBFREPHN-RRFJBIMHSA-N 307.394 -0.358 30 20 DBED C[C@@H](NC[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)CCCO1)C(N)=O 1200299329 JWGZUSKJEQSJOK-MFKMUULPSA-N 319.365 -0.419 30 20 DBED C[C@@]1(C(=O)N2CCCO[C@@H](CNCC#N)C2)CCNC(=O)C1 1200795451 KQFGWDFLRSQGJB-SWLSCSKDSA-N 308.382 -0.367 30 20 DBED C#CCNC[C@H]1CN(C(=O)c2cn(C)nc2OC)CCCO1 1201121499 YTSHDCMFEYNULW-LBPRGKRZSA-N 306.366 -0.117 30 20 DBED N#CCNC(=O)CNC[C@@H]1CN(C(=O)[C@H]2CC23CC3)CCCO1 1201484254 RYQREHOXAGPLKN-CHWSQXEVSA-N 320.393 -0.367 30 20 DBED C#CCNC[C@@H]1CN(C(=O)[C@H]2CCc3nncn3C2)CCCO1 1202124173 HHGDJJSDPMPJKJ-UONOGXRCSA-N 317.393 -0.319 30 20 DBED C=CCO[C@H](C)C(=O)N1CCC(NCc2nnn(C)n2)CC1 1204028959 SBVUEAGLMJTWKA-LLVKDONJSA-N 308.386 -0.118 30 20 DBED C[C@@H]1CN(CC(=O)NC2CC2)C[C@H]1NC(=O)CSCC#N 1206090136 LHIPGPKEGXVYOV-ZYHUDNBSSA-N 310.423 -0.042 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@H](NCc2ccn(C)n2)C1 1207870298 VQPNXPNZXWZBAL-AWEZNQCLSA-N 317.393 -0.360 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)C[C@@H]2CCC(=O)N2)C1 1210079828 IDPNEWQWIFAUGM-QWHCGFSZSA-N 322.409 -0.462 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)COCC=C)[C@H](OC)C1 1212034498 XJTMPXNTYWWQMJ-BFHYXJOUSA-N 323.393 -0.858 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2nnn(C)n2)C[C@H]1OC 1213966225 LNDQPZFYCYHFOJ-QJPTWQEYSA-N 324.385 -0.883 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2ccccn2)C1 1219097601 VSUHJKRXKQYJLO-OLZOCXBDSA-N 304.350 -0.841 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)c2cc(C)no2)C1 1219175507 KLSZOBUUCIWDEY-UTUOFQBUSA-N 322.365 -0.551 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)CN(C)C2CCC2)C1 1219813789 FJFZOZSYUFZGEU-CABCVRRESA-N 311.426 -0.165 30 20 DBED COCC#CCN1CC[C@@H]2CN(C(=O)C3(C(N)=O)CC3)[C@@H]2C1 1221779586 CKMLDBPMWZXKGP-CHWSQXEVSA-N 305.378 -0.566 30 20 DBED Cn1ccc(C(=O)N2C[C@H]3CCN(CC(=O)NCC#N)C[C@H]32)n1 1222014902 LQKYVZFMNNBCNE-DGCLKSJQSA-N 316.365 -0.794 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CCN(CC(=O)NCC#N)CC1 1229269515 ALHGSZBDKOWZLJ-KGLIPLIRSA-N 320.393 -0.202 30 20 DBED N#C[C@H]1CC[C@@H](NC(=O)C(=O)N2CCC(OCC(N)=O)CC2)C1 1261449483 CQKQDDNDSAWDHE-WDEREUQCSA-N 322.365 -0.712 30 20 DBED CC(C)n1c(S)nnc1CCNC(=O)Cn1cnc(C#N)n1 1319262969 OSYHLRNXXVSTPA-UHFFFAOYSA-N 320.382 -0.030 30 20 DBED C=CCNC(=O)CNC(=O)c1cn(Cc2ccccn2)nn1 1319987131 ZGQDRAPZQJEFNW-UHFFFAOYSA-N 300.322 -0.247 30 20 DBED O=C1C=CC=N/C1=C(/O)NCCN1C(=O)N[C@H](C2CC2)C1=O 1320763610 LXRHJWDBOFAISH-PJSNMCHCSA-N 304.306 -0.157 30 20 DBED CS(=O)(=O)CCN1CCC(NC(=O)NCCC#N)CC1 1320915973 KGMGCYYBGNLEGN-UHFFFAOYSA-N 302.400 -0.292 30 20 DBED C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCO[C@H](C#N)C2)CN1C1CC1 1325495662 OONKWAVCLOHRDT-NQBHXWOUSA-N 306.366 -0.521 30 20 DBED C#CC1CCN(C(=O)C(=O)N2CCOC[C@@H]2C[C@H](C)O)CC1 1326228212 VJZLZQGYZZFAEH-JSGCOSHPSA-N 308.378 -0.144 30 20 DBED C#CCCN1CCN(Cc2cc(=O)n3[nH]c(N)nc3n2)CC1 1328555899 CKNLWGLRODJMDP-UHFFFAOYSA-N 301.354 -0.859 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CCC[C@@H]2C(C)(C)O)nn1 1329221181 CCVOLPGEKMBFGR-GFCCVEGCSA-N 321.381 -0.158 30 20 DBED C[C@@H](O)CN(C(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1)C1CC1 1329458388 RHTZOUDVGZKTSO-RISCZKNCSA-N 320.393 -0.443 30 20 DBED COCCCN(C)C(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1329718102 XXYXJCAECKYAQS-ZDUSSCGKSA-N 308.382 -0.320 30 20 DBED N#CCCN1CCN(C(=O)C(=O)NCc2ncccc2F)CC1 1332626328 PDHXWMNSGBPJES-UHFFFAOYSA-N 319.340 -0.105 30 20 DBED CN(C)CC#CCNC(=O)CNS(=O)(=O)c1ccccc1 1332707041 LBKZHOQBZGBTKU-UHFFFAOYSA-N 309.391 -0.354 30 20 DBED C=CCN(C[C@H](O)C[C@@]1(O)CCOC1)[C@@H]1CCS(=O)(=O)C1 1335565833 QECLYSWJLULFOS-MCIONIFRSA-N 319.423 -0.436 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N1CCO[C@H](C(F)F)C1 1335857129 CKUFRPDMPWHHRU-NSHDSACASA-N 318.320 -0.023 30 20 DBED N#CCNC(=O)COC(=O)C1CCN(c2cnccn2)CC1 1338738791 GACKJXAVRCBFNL-UHFFFAOYSA-N 303.322 -0.124 30 20 DBED COC[C@](C)(C#N)NC(=O)Cc1ccc(S(N)(=O)=O)cc1 1340750276 FPOZVYUPGXMQLU-ZDUSSCGKSA-N 311.363 -0.079 30 20 DBED C=CCn1cc(CNC(=O)c2ccc(=O)n(CCOC)n2)nn1 1345629365 UYILBLKBIDRSIX-UHFFFAOYSA-N 318.337 -0.403 30 20 DBED CC1(C)COC(=O)[C@H]1NC(=O)CCn1cc(C#N)c(O)nc1=O 1362640132 SOHRXQKEKUYTDH-SNVBAGLBSA-N 320.305 -0.722 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N1CCC(O)(CN(C)C)CC1 1364049695 YAMTWMRJDHXDCY-GFCCVEGCSA-N 318.443 -0.146 30 20 DBED N#Cc1ccc([C@H](O)CN2C[C@H](C(N)=O)[C@@H](C(N)=O)C2)cc1 1364470605 XLGIELDCPMEITI-RWMBFGLXSA-N 302.334 -0.890 30 20 DBED CCCS(=O)(=O)CC(=O)N[C@H]1C[C@H](NC(=O)[C@@H](C)C#N)C1 1385939694 HPSIFBDWLXEWOJ-DCAQKATOSA-N 315.395 -0.266 30 20 DBED CCC[C@@H](NC(N)=O)C(=O)N1CC(CNC(=O)[C@@H](C)C#N)C1 1387924106 BFSUTAYMKDBNNE-GXSJLCMTSA-N 309.370 -0.442 30 20 DBED Cc1nnc(O)c(C(=O)N2CC(NC(=O)[C@@H](C)C#N)C2)c1C 1389402956 LNUAGIIIJGEDCO-ZETCQYMHSA-N 303.322 -0.101 30 20 DBED N#Cc1cn(CCC(=O)N[C@@H]2CC23CCOCC3)c(=O)nc1O 1412157229 HMLCXDAMMJVGPE-LLVKDONJSA-N 318.333 -0.104 30 20 DBED N#CC1(C(=O)N2CC[C@H](CS(N)(=O)=O)C2)CCOCC1 1412745275 QLAQMCIWBHCPHR-JTQLQIEISA-N 301.368 -0.556 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CN(C)C(=O)CN1CCCCC1=O 1413305434 ZAGCJUCOEAWZGJ-RYUDHWBXSA-N 324.381 -0.906 30 20 DBED CCN(CCC#N)C(=O)CNC[C@H](O)CNC(=O)C(C)(C)C 1420197759 CDDAKHGVGOQJNV-LBPRGKRZSA-N 312.414 -0.139 30 20 DBED C=C(Cl)CNC[C@H](O)CNC(=O)c1cn(C)nc1COC 1422347103 KSPFMGPICAFHMD-JTQLQIEISA-N 316.789 -0.001 30 20 DBED CCN(CCC#N)C(=O)CN1CC(O)(CNC(=O)[C@H](C)C#N)C1 1423830508 RMCVPGPZBYBQRE-GFCCVEGCSA-N 321.381 -0.929 30 20 DBED N#Cc1cc(C(=O)NC[C@@H](O)CNC(=O)[C@@H]2CCCOC2)c[nH]1 1431492411 KBHWHFQTSDDFNT-MFKMUULPSA-N 320.349 -0.480 30 20 DBED CC(C)Cn1nccc1C(=O)NC[C@H](O)CNC(=O)[C@@H](C)C#N 1433296954 CUTALXIRCVQVEF-NWDGAFQWSA-N 321.381 -0.094 30 20 DBED CCC[C@]1(CO)CCCN1C(=O)Cn1cc(C#N)c(O)nc1=O 1433970683 VBTQWDLASPXZRK-OAHLLOKOSA-N 320.349 -0.026 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)CCn2cnccc2=O)CC1 1433980682 HOUDLELMJZUSMB-LLVKDONJSA-N 317.349 -0.442 30 20 DBED CN(CCNC(=O)Cn1cnnn1)Cc1cc(C#N)ccc1F 1442352884 USXSEPHKQLCOBQ-UHFFFAOYSA-N 317.328 -0.068 30 20 DBED CC(=O)NCC(=O)NC[C@@H](O)CNCc1ccc(F)c(C#N)c1 1445136319 IAWJRYQKPOACBJ-ZDUSSCGKSA-N 322.340 -0.600 30 20 DBED CS(=O)(=O)N1CCN(CC(=O)NCC2(C#N)CCC2)CC1 1469113174 QJURDZZVNYKLGN-UHFFFAOYSA-N 314.411 -0.626 30 20 DBED CN(C(=O)CCn1cc(C#N)c(O)nc1=O)[C@@H]1CCC[C@H]1O 1471916005 ZXTBYRLTKNJZHP-GHMZBOCLSA-N 306.322 -0.418 30 20 DBED Cn1c(=O)[nH]c(N[C@H]2CCO[C@]3(CCOC3)C2)c(C#N)c1=O 1472744438 RDLVVFRILYBUTG-LKFCYVNXSA-N 306.322 -0.305 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](C)CN(C)C(=O)c1cc(C(N)=O)c[nH]1 1487882102 IHUBVTCCBXKAHV-DTWKUNHWSA-N 305.338 -0.150 30 20 DBED C[C@H](CNC(=O)c1cc(C#N)c[nH]1)NCC(=O)N1CCOCC1 1491424952 VMEYWOYLNBWYPW-LLVKDONJSA-N 319.365 -0.547 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CCN(C(=O)c2cc3n(n2)CCO3)C1 1491842948 NJQIHAGVMZWSGK-NXEZZACHSA-N 303.322 -0.234 30 20 DBED CCCn1c(C)nnc1CNC[C@H](O)CNC(=O)[C@H](C)C#N 1496954508 HLZIFWPTWUXLSY-PWSUYJOCSA-N 308.386 -0.277 30 20 DBED CCN(CCNC(=O)[C@H](C)C#N)C(=O)C1CCN(C(N)=O)CC1 1529069275 NORUJHZELQFPHM-LLVKDONJSA-N 323.397 -0.099 30 20 DBED N#Cc1ccc(C(=O)NC[C@@H](O)CNC(=O)[C@H]2CCCOC2)[nH]1 1533204887 JJWSBXKYJZPOSQ-JQWIXIFHSA-N 320.349 -0.480 30 20 DBED O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@@H]1C[C@]12CCNC2 1574428322 IGMBVWBWILZGSX-XQOBWRHNSA-N 304.350 -0.371 30 20 DBED C=CCCC[C@@H](N)C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)OC 1574902609 DEMBFRQGTQMQHH-MNOVXSKESA-N 318.395 -0.531 30 20 DBED C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCNCC1 1574937171 SWIMKBPXABGOIF-GFCCVEGCSA-N 320.397 -0.159 30 20 DBED CC[C@@H](NC(=O)Cn1cc(C#N)c(O)nc1=O)c1cnn[nH]1 1576279596 YAVOPGYZMQQNHG-MRVPVSSYSA-N 303.282 -0.794 30 20 DBED COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1CCN 1579026499 XAXHCZIXZDMGLP-NSHDSACASA-N 321.385 -0.446 30 20 DBED N#C[C@H]1CN(S(=O)(=O)N2C[C@H]3C[C@H](N)C[C@H]2C3)CCO1 1580041514 BMHILYQYULDSPP-YFKTTZPYSA-N 300.384 -0.733 30 20 DBED C#CCN1CCC[C@H](NC(=O)N2C[C@H](O)C[C@@H](C(=O)O)C2)C1 1602720789 HJRNRWPJCWVUSE-FRRDWIJNSA-N 309.366 -0.439 30 20 DBED C=CCn1cc(C(=O)NS(=O)(=O)[C@H](C)[C@H](C)C(=O)O)nn1 1602937800 HOPBKVOUJSOKSE-JGVFFNPUSA-N 316.339 -0.367 30 20 DBED C[C@@](C#N)(NC(=O)Cn1cc(-c2nn[nH]n2)ccc1=O)C1CC1 1602982488 WQWLTLZDDMCZGN-AWEZNQCLSA-N 313.321 -0.163 30 20 DBED N#Cc1ccc(OC[C@H](O)CN2C[C@@H](O)C[C@H]2C(=O)O)cc1 1610629645 WKLPVBBNEFTCRN-SCRDCRAPSA-N 306.318 -0.182 30 20 DBED C=C(C)CN(CC)C(=O)CN[C@H]1CCN(C(=O)CC(N)=O)C1 1690221661 LFFLVWWAOUKVNL-LBPRGKRZSA-N 310.398 -0.523 30 20 DBED C#CCCNC1CCC(NC(=O)Cn2ncn(C)c2=O)CC1 1752850525 GSFYNARTKSLMTB-UHFFFAOYSA-N 305.382 -0.378 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC[C@@H]1CNC(=O)c1ccnn1C 1753097386 GFFHFYSNYLDRNX-CHWSQXEVSA-N 317.393 -0.248 30 20 DBED COCC#CCN(C)C[C@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1 1753358772 SGYCMAPTWDNZMM-KGLIPLIRSA-N 307.394 -0.305 30 20 DBED C=CCNC(=O)CNC[C@H](C)N(C)C(=O)CN1CCOCC1 1753686679 WUCDWVLYKKVUKK-ZDUSSCGKSA-N 312.414 -0.943 30 20 DBED C[C@H](NC(=O)CNC[C@H](O)CNC(=O)C#CC1CC1)C1CC1 1753910646 ACMSTCFVPZZMIS-FZMZJTMJSA-N 307.394 -0.619 30 20 DBED C#CCNC(=O)CNC[C@@H](O)CNC(=O)C[C@H]1CC=CCC1 1753923251 FRGZVCDIERUDCQ-UONOGXRCSA-N 307.394 -0.451 30 20 DBED C#CCCNC[C@@H](O)CNC(=O)[C@@H](C)N(C)CC(F)(F)F 1753925247 JXSYTHZQESUOPC-GHMZBOCLSA-N 309.332 -0.041 30 20 DBED N#CCNC(=O)CNC[C@H](NC(=O)c1csnn1)C1CC1 1754446304 FTFQYUZHJQIAMN-VIFPVBQESA-N 308.367 -0.724 30 20 DBED CNC(=O)c1cccc(C(=O)NCC2(O)CN(CC#N)C2)c1 1754779859 SXQRNGJSJNZIKB-UHFFFAOYSA-N 302.334 -0.654 30 20 DBED CC(F)(F)C(=O)N1C[C@@H]2CN(CC(=O)NCC#N)C[C@@H]2C1 1754839631 YGVPSGRESDRQKV-AOOOYVTPSA-N 300.309 -0.328 30 20 DBED C#CCNC(=O)CN1C[C@H]2CN(C(=O)[C@@H]3CO[C@@H](C)C3)C[C@H]2C1 1754845487 HKEOAKBPMOOUKB-ZQDZILKHSA-N 319.405 -0.449 30 20 DBED CN(CCCN(C)C(=O)c1ccn(C)n1)CC(=O)NCC#N 1755045400 UIMYYXNPBVOGKQ-UHFFFAOYSA-N 306.370 -0.546 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)c2cnnn2C)C[C@H]1C 1755160822 RPMIFWZNKOYMGS-VXGBXAGGSA-N 320.397 -0.300 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@H](C)CN(C)C(=O)c1cnnn1C 1755584799 DQYNOLOFTNZJLU-GHMZBOCLSA-N 308.386 -0.444 30 20 DBED C#CCNC(=O)CN[C@@H]1C[C@H](C)N(C(=O)c2cnc(C)n2C)C1 1755680533 FVGPJFMMUZJKAL-WCQYABFASA-N 317.393 -0.329 30 20 DBED C=CCOCCNC[C@H]1CC[C@@H](NC(=O)c2nnn(C)n2)C1 1755744416 VVVQMIKSPZXQIV-NWDGAFQWSA-N 308.386 -0.099 30 20 DBED COCC#CCN1CC=C(CNC(=O)c2cn(C)nn2)CC1 1755885546 UQLQDOCDWQCVMX-UHFFFAOYSA-N 303.366 -0.173 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](C)C1CN(C(=O)CCCCNC(N)=O)C1 1756155768 CWZUSMYWBUOQAE-WDEREUQCSA-N 323.397 -0.052 30 20 DBED C=CCOCC(=O)N(C)C[C@@H](C)NC(=O)CNC(=O)OC 1756438291 KSTCGARBHQWPGF-SNVBAGLBSA-N 301.343 -0.492 30 20 DBED C#CCCCCC(=O)NC[C@@H](CO)NC(=O)c1cnn(C)c1N 1756514393 ZKVTYMAFWPWPSV-NSHDSACASA-N 321.381 -0.597 30 20 DBED CN(C[C@H](O)CNC(=O)CSCC#N)C(=O)c1ccccn1 1756651599 NENWEKGXFNCJFM-LLVKDONJSA-N 322.390 -0.113 30 20 DBED Cn1nc(C(=O)O)cc1C=NN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C=C[C@H]2O1 1776102458 QLPLGRXYPCWJSD-GWOFURMSSA-N 316.273 -0.609 30 20 DBED N#CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccnn1 1798055412 ZUKXTBPSYJAZQH-GNXNZQSNSA-N 315.333 -0.407 30 20 DBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc[nH]3)C2)C1 1839806426 BDTANFNFEVSCDR-HNNXBMFYSA-N 318.333 -0.887 30 20 DBED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)c1cnoc1)C2 1846195580 IGILUSAQZHYXNF-UHFFFAOYSA-N 303.274 -0.420 30 20 DBED CN1CCN(C)[C@H](CNS(=O)(=O)c2ccc(C#N)nc2)C1 169277571 CAUHDYIVYWUMSW-GFCCVEGCSA-N 309.395 -0.523 30 20 DBED CC(=O)NC[C@H]1CN(CC(=O)N[C@@](C)(C#N)C(C)C)CCO1 246644389 FEYZXCLFUFDXOM-ZFWWWQNUSA-N 310.398 -0.122 30 20 DBED C[C@H]1OCC[C@]1(O)C/N=C(/N)N1CCN(c2ncccn2)CC1 262707770 BWZLISBBLYNBJE-DOMZBBRYSA-N 320.397 -0.547 30 20 DBED Cn1c(NCCCO[C@@H]2CCOC2)c(C#N)c(=O)n(C)c1=O 268206779 HJKPEGXIUJYCBO-SNVBAGLBSA-N 308.338 -0.437 30 20 DBED C[C@]1(c2ccc(C(=O)NCC#CCO)cc2)NC(=O)NC1=O 283063086 AELNIHDCWCVDJM-OAHLLOKOSA-N 301.302 -0.533 30 20 DBED C[C@@H]([C@@H](C)Nc1c(C#N)c(=O)n(C)c(=O)n1C)N1CCOCC1 301210221 UNXOSJHAWXVOGN-MNOVXSKESA-N 321.381 -0.523 30 20 DBED C[C@H](O)CN1CCN(/C(O)=N/CCC2(O)CCOCC2)CC1 329348486 SEAQHTQNLSGEAB-ZDUSSCGKSA-N 315.414 -0.170 30 20 DBED CN(C)[C@@]1(C/N=C(/O)N2C[C@@H](O)C[C@H]2CO)CCSC1 330150937 LEOLGGDXLXVJSI-GMXVVIOVSA-N 303.428 -0.235 30 20 DBED COc1cc(/C(O)=N/CCNS(=O)(=O)NC(C)C)nn1C 331148114 AZDUNQRVDZYZSX-UHFFFAOYSA-N 319.387 -0.434 30 20 DBED CC/N=C(/O)N1CCN(S(=O)(=O)C[C@@H](C)C(=O)OC)CC1 331205364 CUCBCYKCDXDYGU-SNVBAGLBSA-N 321.399 -0.323 30 20 DBED Cn1cc(S(=O)(=O)NCC2(CC#N)CC2)c(=O)n(C)c1=O 332145214 NJEDAPMUBVIUPC-UHFFFAOYSA-N 312.351 -0.944 30 20 DBED CCN(CCC#N)S(=O)(=O)N[C@@](C)(COC)C(=O)OC 336929908 ARIFJLWMMNIOPN-NSHDSACASA-N 307.372 -0.366 30 20 DBED Cc1nn(C)cc1[C@@H](C)NS(=O)(=O)N1CCO[C@H](C#N)C1 337067762 LWMAWCVTCTVDSN-GHMZBOCLSA-N 313.383 -0.152 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CCN(CC(=O)OC)CC1 337167595 CMBDMVWQGJINGH-UHFFFAOYSA-N 318.399 -0.743 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@H](CO)CC(F)F 337170353 FCXLKAYVZCQYLK-VIFPVBQESA-N 315.342 -0.301 30 20 DBED C=CCNC(=O)CNS(=O)(=O)c1cc(C(=O)OC)n(C)c1 346570090 UEJLAINQEGYHBA-UHFFFAOYSA-N 315.351 -0.608 30 20 DBED C=C[C@@H](CO)NC(=O)C(=O)Nc1cc(-n2cnnn2)ccc1F 354538624 DZPWXOTZGHUQDB-QMMMGPOBSA-N 320.284 -0.597 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N1CCCN(CC)C(=O)C1 364968157 CLBSSRDDHMOMNM-UHFFFAOYSA-N 317.411 -0.149 30 20 DBED C=CCNC(=O)NC(=O)CN1C[C@@H](N2CCOCC2)C[C@H]1C 367575573 NBFFWDHXGGNQGK-OLZOCXBDSA-N 310.398 -0.207 30 20 DBED N#C[C@@H]1COCCN1S(=O)(=O)C[C@H]1CCCS(=O)(=O)C1 408193202 QTWPSCKZROEVIT-WDEREUQCSA-N 322.408 -0.635 30 20 DBED C#CCNC(=O)C1CCN(S(=O)(=O)c2cnn(C)c2C)CC1 491516649 UZFXJXOPZPSMIW-UHFFFAOYSA-N 324.406 -0.121 30 20 DBED C=CCN1CCC(NC(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)CC1 544804950 VQTMONGANSAMKA-GFCCVEGCSA-N 321.381 -0.418 30 20 DBED N#C[C@H]1CN(S(=O)(=O)N[C@@H]2Cc3cccc(O)c3C2)CCO1 558591383 BEUQNJUVPQIYRI-NEPJUHHUSA-N 323.374 -0.082 30 20 DBED C[C@H](Oc1ccccc1C#N)C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1O 563639086 XSFDZVOIUKLEGN-MVWJERBFSA-N 324.358 -0.400 30 20 DBED CN(C)S(=O)(=O)CCCCS(=O)(=O)NC(C)(C)C#N 582013846 YHDADXPKSDNARS-UHFFFAOYSA-N 311.429 -0.120 30 20 DBED CCN(C[C@H](C)C#N)C(=O)CN1C[C@H](O)C[C@@H](C(=O)OC)C1 592194979 GLFHMZNENAGZTP-JHJVBQTASA-N 311.382 -0.150 30 20 DBED COC(=O)c1oc(S(=O)(=O)NCC(=O)NCC#N)cc1C 595336503 HPXJJJJPWSWMDX-UHFFFAOYSA-N 315.307 -0.707 30 20 DBED N#C[C@@H]1CN(C(=O)Nc2cnn(CC(=O)NC3CC3)c2)CCO1 610477873 DUIKHRMGYKIKDB-GFCCVEGCSA-N 318.337 -0.082 30 20 DBED C=C[C@@H](O)C(=O)N1CCN(c2nccn3cnnc23)[C@@H](C)C1 612683062 JJBDWARPYZAQFT-WDEREUQCSA-N 302.338 -0.292 30 20 DBED C=CCOC[C@@H](NC(=O)C1(C(=O)NC2CC2)CC1)C(=O)OC 619544327 DDIMWKDZWQCOTB-LLVKDONJSA-N 310.350 -0.094 30 20 DBED C=CCn1cc(C(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)nn1 648346988 QSLWEXZKXGHFRT-JTQLQIEISA-N 313.383 -0.430 30 20 DBED C=CCOC[C@H](NC(=O)Cc1nnn(C(C)(C)C)n1)C(=O)O 659157318 STPIJPIVCUBWAJ-VIFPVBQESA-N 311.342 -0.257 30 20 DBED Cc1ccc(S(N)(=O)=O)cc1C(=O)N(CC#N)CC(=O)O 738660230 LSXOYCSGPJQLHL-UHFFFAOYSA-N 311.319 -0.307 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCC[C@@H](N(C)C)C1)[C@@H]1CCCO1 809309999 RMVUNEOAMXGBIO-RDBSUJKOSA-N 307.394 -0.164 30 20 DBED C=CCN(C(=O)C(=O)N1CCN([C@H]2CCNC2)CC1)C(C)C 817931888 OLDSDIUFNNTDCS-AWEZNQCLSA-N 308.426 -0.085 30 20 DBED C[S@](=O)CCNCCS(=O)(=O)c1ccc(C#N)cn1 819031275 KTURAZQAMUWLCF-SFHVURJKSA-N 301.393 -0.305 30 20 DBED C#CCN1CCN(C(=O)CN2CCC3(CC2)C[C@@H]3C(=O)O)CC1 825619316 KKPYHWVFNDJFGR-CQSZACIVSA-N 319.405 -0.050 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)CC(C)(C)OC)CC1 831574868 RVFFUNMDHYRAKD-UHFFFAOYSA-N 317.411 -0.587 30 20 DBED N#CC[C@]1(O)CCN(C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 844016084 RQUQHQWPTAXIJQ-YGRLFVJLSA-N 303.322 -0.360 30 20 DBED CC(=O)NCc1ccc(S(=O)(=O)O[C@H]2CNOC2)cc1 845932449 UCANOYARRZGHKP-NSHDSACASA-N 300.336 -0.069 30 20 DBED C#CC[C@@H](CO)NC(=O)c1ccc(N2NC(=O)CCC2=O)cc1 854546395 DOVZQMVXCVAGMI-LBPRGKRZSA-N 315.329 -0.041 30 20 DBED C#CC[C@@H](CO)NC(=O)c1c(C)oc(C)c1S(N)(=O)=O 854546954 OHMUGSBNQNDZEU-VIFPVBQESA-N 300.336 -0.342 30 20 DBED C#CC1(O)CN(C(=O)N[C@@H](CCSC)C(=O)N(C)OC)C1 893723746 QNQDDUIRTBJWNE-JTQLQIEISA-N 315.395 -0.483 30 20 DBED Cn1c(=O)ccn(CC(=O)NCCC#C[Si](C)(C)C)c1=O 912333265 MKJAKIJZLAWMCJ-UHFFFAOYSA-N 307.426 -0.066 30 20 DBED C#CCO[C@H](C)C(=O)Nc1ccn(CCN2CCNC2=O)n1 928630143 ISDBMWYLZMLKNX-LLVKDONJSA-N 305.338 -0.115 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CN1CCCNC1=O 937517023 YGQRNSSPAPMASB-WOPDTQHZSA-N 319.365 -0.627 30 20 DBED Cn1nncc1C(=O)N1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 940099145 SPUJNMBFHPFHQM-SNVBAGLBSA-N 313.321 -0.341 30 20 DBED CO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1NC(=O)Cc1ccn(C)n1 941751194 LOWWOWGPSRKBBQ-CYZMBNFOSA-N 319.365 -0.536 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C[C@@H]1C 947761565 MWEPSLMZMMJHJW-RYUDHWBXSA-N 318.377 -0.700 30 20 DBED C[C@@H]1C[C@H](NC(=O)CN2C(=O)CN(C)C2=O)CCN1CC#N 948011228 GWTOLMFMVDBCHA-GHMZBOCLSA-N 307.354 -0.627 30 20 DBED C#CCCN1CCOC2(CCN(C(=O)Cn3cnnn3)CC2)C1 949291442 DRDNVJREKHWWFR-UHFFFAOYSA-N 318.381 -0.610 30 20 DBED C[C@]1(C(=O)N2CCC3(CC2)CN(CC#N)CCO3)CCNC1=O 949471064 PPQNCQBZVUHVGE-HNNXBMFYSA-N 320.393 -0.270 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]1CNC(=O)c1cnc2[nH]nnc2c1 950599369 ADMULAIIJUTQCU-WCBMZHEXSA-N 313.321 -0.157 30 20 DBED CCN(C(=O)[C@H]1C[C@H](OC)CN1C(C)=O)C1CN(CC#N)C1 950989514 LKXXCNCKOPDGFK-UONOGXRCSA-N 308.382 -0.322 30 20 DBED CC#CCN1C[C@H](CNC(=O)c2nnn(C(C)(C)C)n2)[C@@H](O)C1 958076359 DTZWHDBDGLQVQO-RYUDHWBXSA-N 320.397 -0.526 30 20 DBED C=C(C)CN1C[C@H](CNC(=O)c2cccc(=O)n2C)[C@@H](O)C1 958394667 HYIIDURTBHIVLF-JSGCOSHPSA-N 305.378 -0.016 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2CN(CCOC)C[C@@H]2O)nc1 958592491 QWPZNUGHLKEKCJ-HIFRSBDPSA-N 303.362 -0.268 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CN(C(=O)[C@@H]3COCCO3)C[C@H]2C1 961062451 CTJSOSHTJCJIDD-RVMXOQNASA-N 307.350 -0.522 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CN(C(=O)[C@@H]3CCC(=O)N3)C[C@H]2C1 962014816 YZVCPYXIHVBVSW-WYUUTHIRSA-N 304.350 -0.659 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)C(N)=O 963584742 ZQPVOBIZGSWTTN-NDBYEHHHSA-N 321.377 -0.345 30 20 DBED CN(C(=O)c1cn(C)c(=O)nc1O)C1CCC(NCC#N)CC1 964363093 LASHFWMNJZCKSQ-UHFFFAOYSA-N 319.365 -0.018 30 20 DBED CCN(C(=O)[C@@H]1CN(C)C(=O)N1)C1CN(C(=O)C#CC2CC2)C1 968215299 WRFMPGZSXFWCAH-ZDUSSCGKSA-N 318.377 -0.517 30 20 DBED CCN(C(=O)c1cn(C)c(=O)cn1)C1CN(C(=O)[C@H](C)C#N)C1 968218732 UTGIEBNGXNZLMM-SNVBAGLBSA-N 317.349 -0.387 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CN(C)CCO1 968736749 UHILOZSMCMPGGJ-MQYQWHSLSA-N 320.393 -0.322 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)[C@@H](C)n3cncn3)C2)C1 972348796 SIGWTLBUWXUXJX-UKRRQHHQSA-N 303.366 -0.224 30 20 DBED C[C@]1(C(=O)N2CC[C@@]3(CN(CC#N)CCO3)C2)CCNC(=O)C1 972430838 LCFCMWHJGAWQAY-JKSUJKDBSA-N 320.393 -0.270 30 20 DBED CC(=O)N1CCC[C@@H]1C(=O)N1CC[C@]2(CN(CC#N)CCO2)C1 972691677 GHKWMYFKMCJJIF-ZBFHGGJFSA-N 320.393 -0.176 30 20 DBED C#CCOc1ncccc1C(=O)N1CC[C@H](N(C)CC(N)=O)C1 972757984 XSOUMIFBMGDYGT-LBPRGKRZSA-N 316.361 -0.275 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCCN(C(=O)C(N)=O)C1 975314138 XSMKMMHXBQGFJD-AGIUHOORSA-N 323.393 -0.192 30 20 DBED CC(=O)N1CC[C@@H](C(=O)N[C@H]2[C@@H]3CN(C(=O)[C@H](C)C#N)C[C@@H]32)C1 976975415 INSFWAMBEAFTKD-KVRLPLMBSA-N 318.377 -0.413 30 20 DBED CC#CCN1C[C@@H]2C(CNC(=O)c3cn(C)c(=O)cn3)[C@H]2C1 978565543 VZQDXXPCZFTJHX-CHWSQXEVSA-N 300.362 -0.289 30 20 DBED C=CCn1cc(C(=O)N2CCCN(CC(=O)N(C)C)CC2)nn1 982113887 RLBJCUNTKUIHKV-UHFFFAOYSA-N 320.397 -0.300 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)c2nnn(C)c2C)C1 990608199 UGPJWBLQLAPKFI-NEPJUHHUSA-N 319.365 -0.345 30 20 DBED C#CCCN1CC[C@@]2(NC(=O)CN3C(=O)CNC3=O)CCC[C@H]12 992476842 QEHGJLCFFCFFFJ-LRDDRELGSA-N 318.377 -0.325 30 20 DBED C=CCN[C@@H]1CN(C(=O)CN2CCN(C)C(=O)C2)CC1(C)C 995980056 NZLICONTFRXVFT-CYBMUJFWSA-N 308.426 -0.227 30 20 DBED CN1C(=O)CN(CC(=O)N2C[C@@H](NCC#N)C(C)(C)C2)C1=O 996511478 KFQHORZYNVGMFO-SNVBAGLBSA-N 307.354 -0.769 30 20 DBED C#CCNC1CCN(C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)CC1 996991389 LPDWXPQAOFZGKI-UONOGXRCSA-N 307.394 -0.164 30 20 DBED N#CCN[C@H]1CCCN(C(=O)CCn2cc[nH]c(=O)c2=O)C1 1000464925 IYXTUAVJLDRNAE-NSHDSACASA-N 305.338 -0.969 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@H]2CCOC2)C1 1002829667 NGLWAVJZQGGENY-GJZGRUSLSA-N 319.405 -0.305 30 20 DBED C[C@@H]1C[C@@H](NC(=O)Cn2cncn2)CN1C(=O)C#CC1CC1 1012589843 ZWELUZZRLLEUOU-DGCLKSJQSA-N 301.350 -0.203 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)[C@@H]2CCC(=O)N2C)[C@@H]1C 1020537628 YSGSLKWOGGDGJS-BJDJZHNGSA-N 306.366 -0.128 30 20 DBED C=CCN1[C@H]2CC[C@H]1CC(NC(=O)c1cn(CC(N)=O)nn1)C2 1021469586 HLYYIKPYMBXFOE-RYUDHWBXSA-N 318.381 -0.325 30 20 DBED N#CCN1CCC[C@@H](CNC(=O)[C@H]2CCS(=O)(=O)N2)C1 1023753787 OOXUWFQQMXIIDU-WDEREUQCSA-N 300.384 -0.970 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2CCCN2[C@@H]2CCNC2=O)nn1 1028188074 SFCOJGZSVKZTMT-WCQYABFASA-N 318.381 -0.453 30 20 DBED C#CCOc1ncccc1C(=O)NC1CN([C@@H](CC)C(N)=O)C1 1031276068 JDNHGDBLWSEPLO-ZDUSSCGKSA-N 316.361 -0.229 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCC1CN([C@H](CC)C(N)=O)C1 1031742739 OQBVYEFDNYTLPJ-KGLIPLIRSA-N 306.410 -0.604 30 20 DBED C#CCCN1CC[C@@H](N(C)C(=O)[C@@H]2CN(C(C)=O)CCO2)C1 1033626276 PBBFHLVWWWHZIT-CABCVRRESA-N 307.394 -0.210 30 20 DBED C=C(C)CN1CCCC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C1 1034545023 XIZYBWGVKZQQDV-GFCCVEGCSA-N 320.397 -0.076 30 20 DBED Cn1nnnc1CNC[C@H]1CCCN1C(=O)c1cc(C#N)c[nH]1 1034894734 INNDSKWUDHQXIF-LLVKDONJSA-N 314.353 -0.196 30 20 DBED C#CCCN1CCO[C@@H](CNC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 1035516165 PCVCEKJVFOLNBG-MELADBBJSA-N 307.394 -0.449 30 20 DBED C#CCN[C@@H]1CCN(C(=O)CN2CC(=O)N(C)C2=O)C[C@@H]1CC 1037965716 KVWPAJHWXJJUJL-QWHCGFSZSA-N 320.393 -0.270 30 20 DBED C#CCN[C@@H]1CCN(C(=O)CN2C(=O)CCC2=O)C[C@@H]1CC 1037984583 HRHDDGAWWHDATB-QWHCGFSZSA-N 305.378 -0.015 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CCC[C@H](C1)N2Cc1nnn(C)n1 1039531653 UICYRMYMVFCJFU-UTUOFQBUSA-N 303.370 -0.065 30 20 DBED C#CCCCC(=O)NC[C@]1(O)CCN(C(=O)c2ccnn2C)C1 1039572579 ADHQKBDOBTWIKB-MRXNPFEDSA-N 318.377 -0.083 30 20 DBED Cc1nc(C)c(C(=O)N2CC[C@](O)(CNC(=O)[C@@H](C)C#N)C2)[nH]1 1040760984 BJDZMJMCWXSYBT-VFZGTOFNSA-N 319.365 -0.121 30 20 DBED C=CCCC(=O)N1CC[C@](O)(CNC(=O)[C@]2(C)CCNC2=O)C1 1040922424 XVBYUIQGARQZGD-CVEARBPZSA-N 323.393 -0.442 30 20 DBED C#CCN1CC[C@@H]2CCN(C(=O)CN3CCOCC3=O)C[C@@H]21 1042096115 BALGVTAACBLBKB-KGLIPLIRSA-N 305.378 -0.599 30 20 DBED C#CCN1CC[C@H]2CCN(C(=O)CN3CC(=O)N(C)C3=O)C[C@@H]21 1042311325 JBPAYIFRVKWAAL-STQMWFEESA-N 318.377 -0.564 30 20 DBED N#Cc1ccc(C(=O)NCC2(O)CN(C(=O)[C@H]3CCCO3)C2)[nH]1 1042604669 DPMPKKPNLLRSJW-GFCCVEGCSA-N 318.333 -0.632 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(O)CN(C(=O)[C@H](CC)OC)C1 1042807728 YCRHVXOWZRXHDL-FZMZJTMJSA-N 314.382 -0.572 30 20 DBED Cc1cc(CC(=O)N2CC(O)(CNC(=O)C#CC(C)C)C2)n[nH]1 1042936835 RDQKUQYJIVCWLP-UHFFFAOYSA-N 318.377 -0.390 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)[C@@H]2CCN(C)[C@@H]2C)C1 1043265399 AAKMGMPSMYTSFQ-QJPTWQEYSA-N 308.382 -0.824 30 20 DBED C=C(C)CCC(=O)NCC1(O)CN(C(=O)C[C@@H]2CCC(=O)N2)C1 1043310095 CGMPZHDDMRTGFQ-LBPRGKRZSA-N 323.393 -0.299 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)c2cc[nH]c2)C1 1043393341 OZEMOTGOWLOPDS-UHFFFAOYSA-N 305.334 -0.642 30 20 DBED CN(C(=O)c1cn(C[C@H]2CCOC2)nn1)C1CN(CC#N)C1 1044107190 GMMBESJNLUMHLW-LLVKDONJSA-N 304.354 -0.406 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)[C@@]23CCCN(CC2)C3)C1 1044337497 CIQUNTAUYWKFHB-DOMZBBRYSA-N 320.393 -0.679 30 20 DBED Cc1ccc(C(=O)N2CC(O)(CNC(=O)[C@H](C)C#N)C2)n1C 1045541085 QLJMONNJUMVIOH-SNVBAGLBSA-N 304.350 -0.204 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)C(C)(C)c2cnc[nH]2)C1 1045546642 OYRZMXAXPXXBLF-SNVBAGLBSA-N 319.365 -0.464 30 20 DBED CN1CCC[C@@H]1C(=O)N1CCN([C@H]2CCN(CC#N)C2)CC1 1046010984 YBANMQFNKZAVFS-LSDHHAIUSA-N 305.426 -0.177 30 20 DBED C=C(C)C(C)(C)C(=O)N1CC(O)(CNC(=O)Cn2cncn2)C1 1046874971 GEPOPXFOCATKDY-UHFFFAOYSA-N 321.381 -0.430 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)c2ccnnc2)C1 1047121430 LEMACBWHDWAEAO-UHFFFAOYSA-N 302.334 -0.561 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2nnn(C)c2C)C1 1048608736 OTDCOWPZUBFHMK-RYUDHWBXSA-N 321.381 -0.267 30 20 DBED C=CCCN1C[C@H]2CN(C(=O)Cn3ncn(C)c3=O)C[C@H]2C1 1048905785 GKGWDBOKQPOHRK-BETUJISGSA-N 305.382 -0.452 30 20 DBED C#Cc1ccc(C(=O)N2C[C@@H]3CN(CC(=O)NC)C[C@@H]3C2)cn1 1049177496 DALXGSJJUCBHDU-OKILXGFUSA-N 312.373 -0.187 30 20 DBED CC#CCCCC(=O)N(C)[C@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1O 1049246684 YFKPUSHAEZFLQG-RYUDHWBXSA-N 319.365 -0.358 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)C1CCS(=O)(=O)CC1 1051144613 UQSOMDCVRHAHJG-CYBMUJFWSA-N 314.407 -0.739 30 20 DBED CC#CCN1CCOC[C@H]1CNC(=O)c1cccnc1C(N)=O 1051253428 PXAFGRAYBFFNFV-GFCCVEGCSA-N 316.361 -0.366 30 20 DBED C#CCN1CCN([C@H]2CCN(C(=O)c3nonc3C)C2)CC1 1052123771 PCHRQLWCCQWEIX-ZDUSSCGKSA-N 303.366 -0.157 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)Cn2ncnn2)C[C@H]1C 1052669253 PGZDTYNOTAMBEZ-NEPJUHHUSA-N 322.369 -0.914 30 20 DBED N#Cc1ccc(C(=O)NC[C@H]2CCC3(CN(CCO)C3)O2)[nH]1 1053590134 AVJMOCHDYVCAFW-GFCCVEGCSA-N 304.350 -0.158 30 20 DBED C#CCN1CC2(CC[C@H](CNC(=O)[C@H]3OCCO[C@H]3C)O2)C1 1053613623 KMRJBLJZLLGWDH-MJBXVCDLSA-N 308.378 -0.227 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)Cn3nc(C)ccc3=O)CO2)C1 1053987206 JWUNEUAANJXVNL-ZDUSSCGKSA-N 316.361 -0.856 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@](CO)(NC(=O)c2ccncn2)C1 1056069746 DBKBNMQORXIYPF-IAQYHMDHSA-N 317.349 -0.280 30 20 DBED CN(c1cnc(C#N)cn1)[C@H]1CCN(C(=O)Cn2ncnn2)C1 1056968311 XEVIJFDRPCVJDF-NSHDSACASA-N 313.325 -0.928 30 20 DBED N#Cc1cc(C(=O)NCCN(CCO)C(=O)c2cc[nH]n2)c[nH]1 1057045192 QUFJVNPPFMTFAF-UHFFFAOYSA-N 316.321 -0.526 30 20 DBED C=CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)C[C@H](C)OC 1057163234 MQSGTQZGPXURJO-STQMWFEESA-N 316.398 -0.060 30 20 DBED N#Cc1ccc(N[C@@H]2CCCN(C(=O)Cn3ncnn3)C2)nn1 1057697834 KEDJPNKBXHDBKZ-LLVKDONJSA-N 313.325 -0.562 30 20 DBED N#Cc1nccnc1N1CCC[C@H](NC(=O)[C@H]2CCNC2=O)C1 1058220911 PFYZRRLRYVYCOP-QWRGUYRKSA-N 314.349 -0.431 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)CCc1cncn1C 1058655016 NSZNGIUCIXRMPR-LBPRGKRZSA-N 321.381 -0.551 30 20 DBED Cn1nncc1C(=O)N1[C@H]2CC[C@H]1CN(c1cnc(C#N)cn1)C2 1058752049 HRNGHVCTZVCIGQ-RYUDHWBXSA-N 324.348 -0.030 30 20 DBED Cn1cnc(C(=O)N2[C@H]3CC[C@H]2CN(c2cnc(C#N)cn2)C3)n1 1058753238 JPSUKZMHOVRFPA-RYUDHWBXSA-N 324.348 -0.030 30 20 DBED N#Cc1ccc(N[C@@H]2CC[C@H]3CN(C(=O)C(N)=O)C[C@@H]32)nn1 1060552992 MLTXFZGBESETFK-INTQDDNPSA-N 300.322 -0.518 30 20 DBED N#Cc1ccc(NC[C@H]2CCN(C(=O)Cn3cnnn3)C2)nn1 1060803628 PPPMYXDPKFTFCD-SNVBAGLBSA-N 313.325 -0.705 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 1060972278 HGVFNYOHTFSXKE-GWCFXTLKSA-N 314.349 -0.683 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCOC[C@@H]1CNC(=O)COC 1061183038 YZRITSUTMIDGRM-RYUDHWBXSA-N 300.355 -0.433 30 20 DBED N#Cc1ccc(N2CCC[C@H]2CNC(=O)[C@@H]2CNC(=O)N2)cn1 1061441057 NWWPJRIYOXCOOW-AAEUAGOBSA-N 314.349 -0.280 30 20 DBED N#Cc1ccc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)c2cnnc(O)c2)nn1 1064309335 NGGBJDJTIVTUBE-OLUVUFQESA-N 323.316 -0.149 30 20 DBED C[C@]1(NC(=O)[C@H]2CCC(=O)N2)CCN(c2cnc(C#N)cn2)C1 1065224194 LFJGWFXPBXMFKP-ABAIWWIYSA-N 314.349 -0.288 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)Cc2ncc[nH]2)CCO1 1065522441 WAHMMKBNRQAVMI-CYBMUJFWSA-N 318.377 -0.045 30 20 DBED C#CCO[C@H](C)C(=O)N1CCN([C@H]2CCN(C(C)=O)C2)CC1 1065675463 QRJOGWMIRLOAFV-HIFRSBDPSA-N 307.394 -0.210 30 20 DBED Cn1cc(C(=O)N2C[C@@H]3CN(c4cncc(C#N)n4)C[C@@H]3C2)nn1 1065999203 IVKVZNLJTGDBSB-PHIMTYICSA-N 324.348 -0.315 30 20 DBED N#Cc1ccc(N2CC[C@@H]3[C@@H]2CCCN3C(=O)C(N)=O)nn1 1066183464 QMLPJGDTBOZOHN-WDEREUQCSA-N 300.322 -0.597 30 20 DBED C#CCO[C@H](C)C(=O)N(C)CCCN(C)C(=O)Cn1cnnn1 1066787802 NYEVZZPHQZDBNP-GFCCVEGCSA-N 322.369 -0.982 30 20 DBED N#Cc1cccnc1NCC1(O)CCN(C(=O)C(N)=O)CC1 1067484964 GRCCXNNYTWEBCO-UHFFFAOYSA-N 303.322 -0.796 30 20 DBED C=CCC(C)(C)C(=O)N1CC2(C[C@H](NC(=O)C(N)=O)CO2)C1 1068992059 FIYGVSLVCDUQJR-JTQLQIEISA-N 309.366 -0.440 30 20 DBED CC(C)N(C)CC(=O)N1CC2(C[C@H](NC(=O)[C@H](C)C#N)CO2)C1 1069003336 LTGMOPCAHWMCEI-OLZOCXBDSA-N 322.409 -0.028 30 20 DBED Cc1cc(=N[C@H]2C[C@H](C)N(C(=O)CC(N)=O)C2)c(C#N)c[nH]1 1069049833 NPSJEVWXJLQYMD-JQWIXIFHSA-N 301.350 -0.040 30 20 DBED CC#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2cn(C)cn2)C1 1069910055 CJAJVBLOCVNRMC-OCCSQVGLSA-N 313.365 -0.310 30 20 DBED C=CCN1C[C@H]2C[C@H]3CN(C(=O)Cn4cnnn4)C[C@@]3(C1)O2 1070757307 OMPNWKFCVZVWHR-OUCADQQQSA-N 304.354 -0.839 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CCCN(C(=O)Cn2nccn2)C1 1070791369 JCPOUHJYYMLFQA-QWHCGFSZSA-N 319.365 -0.576 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)c2cn(C)cn2)CC1 1070955899 BKCBSTLABMCKLL-UHFFFAOYSA-N 305.382 -0.130 30 20 DBED C#CCCCC(=O)N[C@@H]1CCCN(C(=O)CCn2cnnn2)C1 1071170565 YFSOWDVHBVNBQR-CYBMUJFWSA-N 318.381 -0.026 30 20 DBED C#CCCN1C[C@H](NC(=O)CN2CC(=O)NC2=O)CC[C@H]1C 1071907658 DOJBJSRCAFRXKT-VXGBXAGGSA-N 306.366 -0.469 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1C 1071925113 GXHOIGXRJAXPTE-JOYOIKCWSA-N 317.349 -0.401 30 20 DBED CC(C)C#CC(=O)N1C[C@H](C)[C@H](NC(=O)Cn2nccn2)C1 1072049729 VZJRCRWCOWSMIR-QWHCGFSZSA-N 303.366 -0.099 30 20 DBED C#CCOCCC(=O)N1C[C@@H](NC(=O)Cc2cnc[nH]2)[C@H](C)C1 1072096782 DPUXDFSSHZIEDG-TZMCWYRMSA-N 318.377 -0.045 30 20 DBED CNC(=O)CN1CCC2(C1)CN(C(=O)c1cc(C#N)c[nH]1)C2 1072592916 UMOZFEAYMHYSCY-UHFFFAOYSA-N 301.350 -0.220 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)c2cn(C)c(O)n2)C[C@H]1C 1072675191 STCXYSGLQNEGRF-GHMZBOCLSA-N 322.365 -0.095 30 20 DBED C#CCCCC(=O)NC1(C)CCN(C(=O)CNC(N)=O)CC1 1072862485 GWZGXOKLGQIKRY-UHFFFAOYSA-N 308.382 -0.045 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)CN3CCCCC3=O)C[C@@H]21 1074284790 SEMFIJDBNZHMDJ-GJZGRUSLSA-N 319.405 -0.066 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H](C)CCNC(=O)[C@@H]1CCC(=O)N1 1077637909 WCYQZAIKPUHTBG-ZIBATOQPSA-N 311.382 -0.397 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3nnc(C)n3C2)C1 1078219608 HZKMMZKXTRGVNC-MGPQQGTHSA-N 317.393 -0.666 30 20 DBED C#CCN[C@H]1C[C@@H](NC(=O)CN2CCN(C)C(=O)C2)C12CCC2 1078663194 JFAIKPWVXMARSH-UONOGXRCSA-N 318.421 -0.589 30 20 DBED C#CCCCC(=O)N(CC)C1CN(C(=O)[C@@H]2COC(=O)N2)C1 1079680807 JCTZNOYSKBLNCH-LBPRGKRZSA-N 307.350 -0.042 30 20 DBED CCN(C(=O)C#CC1CC1)C1CN(C(=O)[C@H]2CC(=O)N(C)C2)C1 1079741589 NSKGTZZIWAOXKB-ZDUSSCGKSA-N 317.389 -0.063 30 20 DBED CCN(C(=O)C#CC1CC1)C1CN(C(=O)c2nnn(C)n2)C1 1079742568 BZKPDRUHGNZTAV-UHFFFAOYSA-N 302.338 -0.704 30 20 DBED C=CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)[C@@H]2CNC(=O)N2)C1 1079981589 VJDCAYHRCBZZIZ-PWSUYJOCSA-N 324.381 -0.682 30 20 DBED CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)c2cnn(C)c2N)C1 1080411032 CWQARJMPQMJSNA-SECBINFHSA-N 304.354 -0.165 30 20 DBED C=CCC(C)(C)C(=O)NC[C@@H]1CN(C(=O)c2cnn[nH]2)C[C@@H]1O 1081492563 ZUVLTXYMQMMNFJ-PWSUYJOCSA-N 321.381 -0.044 30 20 DBED C#CCCCCCC(=O)NC[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1O 1081645979 UYKBTHDUHCQYEA-CHWSQXEVSA-N 323.393 -0.619 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@H](CNC(=O)Cc2cnoc2)C1 1081676502 DXGLIOVIUHCYQR-KGLIPLIRSA-N 319.361 -0.044 30 20 DBED C=C(C)CCN1C[C@@H](NC(=O)CN2CCNC(=O)C2)[C@H](OC)C1 1082019676 JVGLRRWJYVEZTG-ZIAGYGMSSA-N 324.425 -0.800 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1ccc2nn[nH]c2n1 1083100078 UBSBWZGLDOFLJW-QWHCGFSZSA-N 312.333 -0.489 30 20 DBED C=C(C)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1nnc(O)nc1O 1083132053 ZVBUYHPBQBXFBU-VHSXEESVSA-N 321.337 -0.616 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1nn(CC)nc1C 1083292482 IAIZIQXYNWRNIX-QWHCGFSZSA-N 303.366 -0.235 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)c2nc3ncc(C)cn3n2)C1 1083554503 JCUKCLPYFHNIHJ-NEPJUHHUSA-N 314.349 -0.769 30 20 DBED C=CCN1CC[C@@H](N2CC[C@H](NC(=O)C(N)=O)[C@H]2CC)C1=O 1087709643 IFECVJVWTNHORW-QJPTWQEYSA-N 308.382 -0.772 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2cc(C(N)=O)cn2C)[C@H](O)C1 1090398599 FPXIHTAAGAFMJD-GXTWGEPZSA-N 318.377 -0.688 30 20 DBED CCC[C@H](OC)C(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1O 1090512426 HYQVZTXRZZIURQ-UPJWGTAASA-N 319.365 -0.171 30 20 DBED COCCn1nc(C(=O)NCC2CC(NCC#N)C2)ccc1=O 1091130474 HMWVHERAVSZIFM-UHFFFAOYSA-N 319.365 -0.489 30 20 DBED CC#CCN1C[C@@H]2CN(C(=O)CCn3cnnn3)C[C@]2(C)C1 1092130212 SPCTUQHUQRAYEA-HIFRSBDPSA-N 302.382 -0.133 30 20 DBED C=CCN1CC2(C[C@@H](NC(=O)Cn3cnnn3)c3nccn32)C1 1092347709 DIMZMXNTNZAJOI-LLVKDONJSA-N 314.353 -0.672 30 20 DBED C=CCO[C@H](C)C(=O)N1CCN(c2nccn3nnnc23)CC1 1093160536 CWAJNONZVTWKFS-LLVKDONJSA-N 317.353 -0.241 30 20 DBED C[C@H](CC(N)=O)C(=O)NC1[C@H]2CN(c3cncc(C#N)n3)C[C@H]12 1093330420 HMOJDYVVHRTQIF-MIMYLULJSA-N 314.349 -0.589 30 20 DBED C#CCNC1CCC2(CC1)CN(C(=O)[C@H]1CNC(=O)N1)CCO2 1093403878 JCOCVOBIWWGUEN-MFOWVQHXSA-N 320.393 -0.569 30 20 DBED N#Cc1ccc(NCCNC(=O)c2cc(C(N)=O)ccn2)nn1 1093718103 WZWRHIVHMDKWCL-UHFFFAOYSA-N 311.305 -0.316 30 20 DBED N#Cc1c[nH]ccc1=NCCNC(=O)[C@@H]1CCCS(=O)(=O)C1 1093867307 SMFFMIVVPIHUEB-LLVKDONJSA-N 322.390 -0.272 30 20 DBED CCc1nc(C#N)cc(NCCNC(=O)C2(C(N)=O)CC2)n1 1094079505 LNYMSULBUQRHHB-UHFFFAOYSA-N 302.338 -0.296 30 20 DBED Cc1cc(=NCCCNC(=O)Cn2cnnn2)c(C#N)c[nH]1 1094315113 UXWIRZWXTUNWDG-UHFFFAOYSA-N 300.326 -0.712 30 20 DBED CN1C[C@@H](C(=O)NCCCNc2nccnc2C#N)NC1=O 1094709715 XPBMLXCTPWCLCM-JTQLQIEISA-N 303.326 -0.710 30 20 DBED C[C@@H]1[C@H](C(=O)N[C@H]2CC(=O)N(C3CN(CC#N)C3)C2)CCN1C 1094737826 BJJGZTIGEUBUMK-MBNYWOFBSA-N 319.409 -0.749 30 20 DBED Cc1cc(=NCCCNC(=O)[C@@H]2CNC(=O)N2)c(C#N)c[nH]1 1094750660 HOVIKODANKTCIV-LBPRGKRZSA-N 302.338 -0.717 30 20 DBED C[C@@H](C(=O)NCCCN=c1cc[nH]c(C#N)n1)S(C)(=O)=O 1094877109 LFBSBWDWZXBVFL-VIFPVBQESA-N 311.367 -0.879 30 20 DBED C#CCN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccc(=O)n(C)n1)C2 1095052477 QFCPWSXMWNZYQF-XQQFMLRXSA-N 300.362 -0.004 30 20 DBED C[C@@H](CC(N)=O)C(=O)N[C@H]1CCN(c2cncc(C#N)n2)C1 1096457426 IYTFHYUJHCSQJO-UWVGGRQHSA-N 302.338 -0.445 30 20 DBED CN(C)C(=O)CC(=O)N[C@H]1CCN(c2ccnc(C#N)n2)C1 1096487821 CSHCJIQTFCHWBU-JTQLQIEISA-N 302.338 -0.479 30 20 DBED CNC(=O)NCC(=O)N[C@@H]1CCN(c2ncc(C#N)cc2F)C1 1096493503 UEVHOKQRIAVCMD-SNVBAGLBSA-N 320.328 -0.284 30 20 DBED CNC(=O)NCCC(=O)N[C@H]1C[C@H](Nc2cncc(C#N)n2)C1 1097018260 NIVIRTGBULDXNR-MGCOHNPYSA-N 317.353 -0.274 30 20 DBED C[C@H](CNC(=O)c1cn(C)c(=O)n1C)Nc1cnc(C#N)cn1 1097895220 OVBLDXUFNWVJTM-SECBINFHSA-N 315.337 -0.384 30 20 DBED N#CCN1C[C@@H](NC(=O)CNC(N)=O)CC2(CCOCC2)C1 1099562518 ZEBGGVOAHYQERG-NSHDSACASA-N 309.370 -0.834 30 20 DBED COCC#CCN1CC[C@H](NC(=O)Cc2cc(C)on2)[C@H](O)C1 1099744796 XGMWVNRLBKBVJA-LSDHHAIUSA-N 321.377 -0.273 30 20 DBED Cn1nncc1CN1CC[C@H](NC(=O)C#CC2CC2)[C@@H](O)C1 1099827231 UMDSZZMJXOLRDU-KBPBESRZSA-N 303.366 -0.720 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)[C@@H]2[C@H]3COC[C@H]32)[C@H](O)C1 1099949089 LXBYSTXHTLKHKN-KHMAMNHCSA-N 308.378 -0.920 30 20 DBED C=CCCCC(=O)N[C@@H]1CCN(Cc2nc(O)n[nH]2)C[C@@H]1O 1099975642 FRFJFHAZUCRVTQ-MNOVXSKESA-N 309.370 -0.082 30 20 DBED C=CCN1CC[C@H](NC(=O)COCc2nncn2C)[C@H](O)C1 1100057395 FNFYZSQQRZVPMV-NWDGAFQWSA-N 309.370 -0.931 30 20 DBED CN(C)[C@@H](Cn1cccn1)C(=O)NCC1CC(NCC#N)C1 1100401719 IPEIUODDCRQHMI-RUXDESIVSA-N 304.398 -0.179 30 20 DBED COCCOCC(=O)NC[C@@H]1CCN(c2ccc(C#N)nn2)C1 1100950059 NAMXMDWZVZMNSN-LBPRGKRZSA-N 319.365 -0.046 30 20 DBED C=CCO[C@H](C)C(=O)NCC1CC(NCc2nnnn2C)C1 1101057332 LLILSMXCAGUYIN-VOMCLLRMSA-N 308.386 -0.214 30 20 DBED COC[C@H](OC)C(=O)N[C@@H]1CC2(CN(CC#N)C2)n2ccnc21 1101641757 ZGQWQIWAFFBYIU-NEPJUHHUSA-N 319.365 -0.360 30 20 DBED CC(=O)N1CC[C@H](C(=O)N(C)CCN=c2cc[nH]c(C#N)n2)C1 1101714077 JPFYCEFOXSRWQU-LBPRGKRZSA-N 316.365 -0.491 30 20 DBED CN(CCN=c1cc[nH]cc1C#N)C(=O)[C@H]1CCS(=O)(=O)C1 1101848655 DTFWLFXCJBYFBO-NSHDSACASA-N 322.390 -0.320 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)c1cc2n(n1)CCO2 1102012115 KOAOLHFWLPYKGR-UHFFFAOYSA-N 313.321 -0.457 30 20 DBED C#CCCN1C[C@@H](C)[C@H](CNC(=O)CN2CCNC(=O)C2)C1 1102217990 NUCIKDNLGQHRRW-ZIAGYGMSSA-N 306.410 -0.874 30 20 DBED CN(C[C@H]1CCN(C(=O)CNC(N)=O)C1)c1ncccc1C#N 1102427906 LJYDPILSPNNLIW-LLVKDONJSA-N 316.365 -0.094 30 20 DBED CC[C@H](CNC(=O)[C@@H]1[C@H]2COC[C@H]21)N=c1cc[nH]c(C#N)n1 1103266154 GLRJCZLOUVDEEV-PUHVVEEASA-N 301.350 -0.031 30 20 DBED CC(=O)N1C[C@@]2(C[C@@H](O)[C@H](NCC(=O)NCC#N)C2)[C@H]1C(C)C 1105587969 PPKJUJPEKRUFMI-RRCSTGOVSA-N 322.409 -0.388 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H](O)CNC(=O)C1=CCOCC1 1105802321 KXTVPUHJDIGSCD-ZDUSSCGKSA-N 302.334 -0.389 30 20 DBED N#Cc1cccnc1NC[C@H](O)CNC(=O)Cn1ccnc1 1105882344 FMASTICINPNCHR-GFCCVEGCSA-N 300.322 -0.261 30 20 DBED C=CCO[C@H](C)C(=O)NC[C@H](O)CN=c1cc[nH]cc1C#N 1105892495 YLOSPNHEKNOLLR-DGCLKSJQSA-N 304.350 -0.145 30 20 DBED CN1CC[C@@H](CC(=O)NC[C@H](O)CN=c2cc[nH]c(C#N)n2)C1 1105913783 IZWQLIPUFCQDIU-NWDGAFQWSA-N 318.381 -0.999 30 20 DBED Cc1nsc(NC[C@@H](O)CNC(=O)Cc2nc[nH]n2)c1C#N 1105959905 TZSLZQSKPMNSQM-QMMMGPOBSA-N 321.366 -0.427 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@@H](O)CNc1ncccn1 1105966960 SFMFRNWFVATHKP-OLZOCXBDSA-N 321.381 -0.164 30 20 DBED C[C@H](CCNc1cncc(C#N)n1)NC(=O)[C@@H]1CNC(=O)N1 1106542712 IHFXTQDDSPAXLK-SCZZXKLOSA-N 303.326 -0.664 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)CC(=O)NCC2CC2)C1 1108332674 DULNFAPBVGNUOG-MRXNPFEDSA-N 307.394 -0.257 30 20 DBED C=CCCOCC(=O)NC[C@@]1(C)CN(CC(=O)NC)CCO1 1108429884 QRWLMJBUQVKCKN-HNNXBMFYSA-N 313.398 -0.468 30 20 DBED C=CCN1CCO[C@@](C)(CNC(=O)C[C@@H]2CC(=O)NC2=O)C1 1108447594 WLUCXEWCLWSCGH-ABAIWWIYSA-N 309.366 -0.568 30 20 DBED CCc1nc(C#N)cc(N(C)C[C@H](C)NC(=O)CC(N)=O)n1 1108884329 OVXLZBPJUZSICD-VIFPVBQESA-N 304.354 -0.273 30 20 DBED CCc1nc(C#N)cc(NC[C@H](NC(=O)C(N)=O)C2CC2)n1 1109966650 ACHKELIFOHIKEP-JTQLQIEISA-N 302.338 -0.297 30 20 DBED CC(C)C#CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NC(N)=O 1110534125 QQGWERASHZSLQH-UTUOFQBUSA-N 306.366 -0.438 30 20 DBED C[C@@]1(NC(=O)CNC(N)=O)CCN(c2ccc(C#N)cn2)C1 1110708629 HJZDUTBFBVNJEF-CQSZACIVSA-N 302.338 -0.293 30 20 DBED C[C@@]1(NC(=O)Cn2cnnn2)CCN(c2nccnc2C#N)C1 1110711222 UVHROTIPAAFUEX-CYBMUJFWSA-N 313.325 -0.880 30 20 DBED CCOCCC(=O)NC[C@@]1(O)CCN(c2ccc(C#N)nn2)C1 1111040893 BPEZUJCWNMBXMW-HNNXBMFYSA-N 319.365 -0.168 30 20 DBED N#Cc1nc(=NCCN(CCO)C(=O)c2cnccn2)cc[nH]1 1111411417 IJCGDUBTQOPLSV-UHFFFAOYSA-N 313.321 -0.893 30 20 DBED CCC(=O)NCC(=O)N(CCO)CCNc1ccc(C#N)nc1 1111429640 UARZKDXWTRSJDC-UHFFFAOYSA-N 319.365 -0.288 30 20 DBED CCc1nc(C#N)cc(NCCN(CCO)C(=O)CC(N)=O)n1 1111440967 OJQKWFVCNMVNBC-UHFFFAOYSA-N 320.353 -0.981 30 20 DBED Cn1cncc1C(=O)N(CCO)CCNc1ccc(C#N)nn1 1111525670 LJCGXIRQXYBVIJ-UHFFFAOYSA-N 315.337 -0.372 30 20 DBED Cc1cc(N2CCOC[C@@H]2CNC(=O)[C@H](C)C#N)nc(CO)n1 1111663134 OSDBMZLVUQDROY-PWSUYJOCSA-N 319.365 -0.242 30 20 DBED N#Cc1c(F)cccc1N1CCC(CO)(NC(=O)C(N)=O)CC1 1112673452 NOJFGSABCHIMDL-UHFFFAOYSA-N 320.324 -0.370 30 20 DBED COCC#CCN1CCN(C(=O)c2cn(CCOC)nn2)CC1 1112837386 FVUAHHKVGLKZHP-UHFFFAOYSA-N 321.381 -0.668 30 20 DBED C[C@H](NC(=O)CCn1cnnn1)[C@@H](C)Nc1cncc(C#N)n1 1113123888 FVHDCOZMGRDLMC-ZJUUUORDSA-N 315.341 -0.270 30 20 DBED C[C@H](CC(N)=O)C(=O)NC[C@@H](C)N(C)c1ccnc(C#N)n1 1113799465 GPDBPJZPQMQWNS-NXEZZACHSA-N 304.354 -0.199 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@@H]3CCCCO3)[C@H]2C1 1114140677 KGRTWRIAJCLWLA-SFDCQRBFSA-N 305.378 -0.649 30 20 DBED C=CCN1CC[C@@H](N2C[C@H]3[C@H](NC(=O)CC(C)(C)O)[C@H]3C2)C1=O 1114213252 XPGHNKQRSXCTKA-COMQUAJESA-N 321.421 -0.019 30 20 DBED C#CCOCCC(=O)NC1[C@H]2CN(Cc3cn(C)nn3)C[C@H]12 1114266743 VXLDSVIDUPZQPY-STQMWFEESA-N 303.366 -0.599 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CN(c2cnc(C#N)cn2)CC1(C)C 1114419496 LUXCMZHHBCDLOA-GFCCVEGCSA-N 316.365 -0.185 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)C3(C4CC4)CC3)[C@H]2C1 1114436653 LKDMCVQZUHNQRI-NHAGDIPZSA-N 301.390 -0.028 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)[C@]3(C)CCC(=O)N3)[C@H]2C1 1114805520 FJIFKSAFEVQFBQ-MMPTUQATSA-N 320.393 -0.996 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)[C@@H]3CCCCC(=O)N3)[C@H]2C1 1114819225 LSUXHHZXUQCTNB-KNCOVGOOSA-N 319.405 -0.259 30 20 DBED C=CCCN1C[C@H]2[C@H](NC(=O)CCS(=O)(=O)N(C)C)[C@H]2C1 1115282133 JFESKLCSMXJBBJ-IMRBUKKESA-N 315.439 -0.110 30 20 DBED C[C@@H](CN(C)C(=O)[C@H]1COCCN1C)N=c1cc[nH]cc1C#N 1115682533 QSWMDQSQZKVBGI-SWLSCSKDSA-N 317.393 -0.035 30 20 DBED C=C[C@H](C)NC(=O)C(=O)Nc1cnn(CC(=O)NCCOC)c1 1116280144 XWBPGCOZSUEMPX-JTQLQIEISA-N 323.353 -0.725 30 20 DBED CN1CC(=O)N(CC(=O)NCc2ccc(C(=O)NO)cc2)C1=O 1116868702 JINBNHCPOFOUAP-UHFFFAOYSA-N 320.305 -0.684 30 20 DBED C#CC1CCN(C(=O)C(=O)N2CC[C@H](S(C)(=O)=O)C2)CC1 1118186675 JENVIQUCXQFMDJ-LBPRGKRZSA-N 312.391 -0.496 30 20 DBED Cc1nc(N[C@@H](CO)CNC(=O)[C@@H]2COC(=O)N2)ccc1C#N 1121385613 IDWFJEFQNBMVMU-MNOVXSKESA-N 319.321 -0.741 30 20 DBED Cc1nccn1CC(=O)NC[C@H](CO)Nc1cncc(C#N)n1 1121599767 VMCFZOBZPIUOHE-GFCCVEGCSA-N 315.337 -0.558 30 20 DBED Cc1cc(=N[C@@H](CO)CNC(=O)c2cnon2)c(C#N)c[nH]1 1121882012 MEVDIKZJEBNLFL-SNVBAGLBSA-N 302.294 -0.731 30 20 DBED Cc1cc(=N[C@H](CO)CNC(=O)[C@@H](C)CC(N)=O)c(C#N)c[nH]1 1122357691 WQWCPPGVLXAGKO-CABZTGNLSA-N 319.365 -0.916 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C[C@@H](O)CN(C)c1ncc(F)cn1 1125163172 XFKHBBYJOADQEJ-WCQYABFASA-N 324.356 -0.091 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)Cc2cc(C)[nH]n2)C1=O 1125547004 QVNLNSHRYFTYGB-CYBMUJFWSA-N 305.382 -0.247 30 20 DBED C#CCO[C@@H](C)C(=O)NCCNC[C@@H]1CCS(=O)(=O)C1 1127045575 DZODTEHYHDOPLU-RYUDHWBXSA-N 302.396 -0.835 30 20 DBED C=CCCOCCCCC(=O)NCCNCC(=O)NC(N)=O 1127125549 ZZGLLXOUEDPTQH-UHFFFAOYSA-N 314.386 -0.350 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)c2cc(OCC)n[nH]2)C1=O 1130109432 NRSXIHLZTWDTAN-LLVKDONJSA-N 321.381 -0.085 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)CN(C)C(C)=O)CC1 1131334398 QVFHFHTXFJXZAU-UHFFFAOYSA-N 310.398 -0.699 30 20 DBED C=C(C)C[C@@H](C)C(=O)N1CCC(=O)NCCN(CC(N)=O)CC1 1131376642 DEMZECZVEGRUAE-CYBMUJFWSA-N 324.425 -0.276 30 20 DBED C#CCNC(=O)CN1C[C@H](NC(=O)CNC(=O)CC)CC[C@H]1C 1131911393 HLTXITZASFCOPV-CHWSQXEVSA-N 322.409 -0.769 30 20 DBED C[C@H](C[C@@H](C)NC(=O)C12CCN(CC1)C2)NCC(=O)NCC#N 1135939206 WFTBWVMDPXNVBY-CHWSQXEVSA-N 321.425 -0.405 30 20 DBED C#CCN[C@H](C)C[C@H](C)NC(=O)CN1CCS(=O)(=O)CC1 1146314833 OGMDFHJSPZMXDU-OLZOCXBDSA-N 315.439 -0.777 30 20 DBED C#CCNC(=O)CN1CCCO[C@@H](CNC(=O)COCC=C)C1 1149383797 LWFPFXMOJYJRNX-AWEZNQCLSA-N 323.393 -0.855 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H]1CN(Cc2cnon2)CCCO1 1149707718 LCVLTBPRIXRJMJ-OCCSQVGLSA-N 322.365 -0.185 30 20 DBED C=CCNC(=O)CNCCNC(=O)CCCCCNC(C)=O 1150071704 MZDLYTZCIXPBJF-UHFFFAOYSA-N 312.414 -0.309 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)Cn1c(C)csc1=O 1150789395 QUWBGPRUAPHTOQ-NSHDSACASA-N 324.406 -0.938 30 20 DBED CNS(=O)(=O)CC(=O)NCCNCc1ccccc1C#N 1151379388 AXDPXHDDZIJWOZ-UHFFFAOYSA-N 310.379 -0.687 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)Cc1cncn1C 1156383247 IYVSMCQPOAYKLI-GFCCVEGCSA-N 320.397 -0.571 30 20 DBED COCC#CCN1CC=C(CCNC(=O)Cn2cnnn2)CC1 1159209954 FWSYNTDTXODRBS-UHFFFAOYSA-N 318.381 -0.539 30 20 DBED Cc1noc(CCC(=O)NCCCNCC(=O)NCC#N)n1 1163628461 GPTBHCVZJMBEDK-UHFFFAOYSA-N 308.342 -0.954 30 20 DBED C#CCNC(=O)CNCC1(CCNC(=O)CNC(=O)CC)CC1 1163860033 WNCQWGMYXWQVSF-UHFFFAOYSA-N 322.409 -0.862 30 20 DBED CCc1ccc(CC(=O)NCCCNCC(=O)NCC#N)nc1 1167035568 IQEXFQPASSNDPR-UHFFFAOYSA-N 317.393 -0.078 30 20 DBED C=CCCn1cc(C(=O)NCCCNCC(=O)N(C)C)nn1 1167992507 YRBWXEAEPFRSHP-UHFFFAOYSA-N 308.386 -0.348 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)c1cc(C(N)=O)c[nH]1 1169298350 IOWVIOYSZUTSMK-SNVBAGLBSA-N 321.381 -0.486 30 20 DBED C#CCNC(=O)CNCCCC[C@H](C)NC(=O)[C@H]1CCNC1=O 1174661048 TZGLWQVYQUKXHO-STQMWFEESA-N 322.409 -0.864 30 20 DBED CC#CCNCCCC[C@@H](C)NC(=O)[C@@H]1CC(=O)NC(=O)N1 1175503419 PHKOQBCTVPOMBA-NEPJUHHUSA-N 308.382 -0.128 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H]2OCCN(CC3CC3)[C@H]2C1 1176982520 FFOUPOAGWLRWHD-LSDHHAIUSA-N 319.405 -0.162 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)CCCC(=O)NC)C[C@H]21 1176994112 JZQKVNJKAMKYJT-ZIAGYGMSSA-N 307.394 -0.162 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@H](NCc2nncn2C)[C@@H]1C 1178678432 JRZNYLNLDIHJGE-XQQFMLRXSA-N 305.382 -0.068 30 20 DBED C#CCCN[C@H]1CCN(C(=O)[C@@H](C)NS(=O)(=O)CC)[C@H]1C 1178753398 MGNWLUMHNCBSFJ-AGIUHOORSA-N 315.439 -0.084 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2cncn2C)[C@H]1C 1179075318 DHBVQLDFKQDOCM-RYUDHWBXSA-N 303.366 -0.638 30 20 DBED N#CCNC(=O)CN[C@@H]1CCN(C(=O)COCC(F)F)C1 1184542894 AMYUOZMVLAWIJR-SECBINFHSA-N 304.297 -0.902 30 20 DBED C=CCN[C@@H]1CCN(C(=O)CCNC(=O)c2cnccn2)C1 1187954110 QNVKVPWURQULHL-GFCCVEGCSA-N 303.366 -0.027 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)CCc2cnn(C)c2)C1 1188079882 LOEACKZDAUSXCB-CQSZACIVSA-N 317.393 -0.707 30 20 DBED C=CCO[C@H](C)C(=O)N1CC[C@@H](NCCS(C)(=O)=O)C1 1188310118 OQGFPSWMRKLGCI-VXGBXAGGSA-N 304.412 -0.187 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2cccc(O)n2)C1 1189527541 OMDDGBUNCFNNIG-LBPRGKRZSA-N 316.361 -0.317 30 20 DBED CCn1nncc1C(=O)N1CC[C@@H](N(C)CC(=O)NCC#N)C1 1189983913 OZFKVZHRSHPHMD-LLVKDONJSA-N 319.369 -0.916 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](N(C)Cc2cn(C)nn2)C1 1190129763 WYSRQPYIPOOEIZ-CQSZACIVSA-N 305.382 -0.112 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@@H]1CCN(C(=O)C(C)(C)C(N)=O)C1 1190776481 OGYATVUQMJBPMT-NWDGAFQWSA-N 322.409 -0.832 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CN(CC(=O)NCC(C)(C)C)C[C@H]1O 1191873354 UXRAOFMWPRHYGO-QJPTWQEYSA-N 310.398 -0.530 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)C(=O)NCC2CC2)C1 1193100781 XPILIAPGKLSASI-ZDUSSCGKSA-N 322.409 -0.653 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)Cc2cnc(C)o2)C1 1193727724 LTVSVJGTXHFWRM-ZIAGYGMSSA-N 307.350 -0.663 30 20 DBED CC#CCN1CCCN(C(=O)CN(C)S(=O)(=O)CC)CC1 1197640169 OFBCMQNXLZPMCR-UHFFFAOYSA-N 315.439 -0.175 30 20 DBED CC(C)C#CC(=O)N1CCC(NCCNS(C)(=O)=O)CC1 1200455771 HTNVVIKEJNWQOL-UHFFFAOYSA-N 315.439 -0.224 30 20 DBED C=C(Cl)CNC[C@H]1CN(C(=O)[C@H]2CNC(=O)N2)CCCO1 1201269229 LTSISLPYGRDOGG-WDEREUQCSA-N 316.789 -0.373 30 20 DBED C=C(C)CCNC[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)CCCO1 1201269562 RLZHTUFGGBFBFR-OLZOCXBDSA-N 310.398 -0.159 30 20 DBED C=C(C)CCNC1CCN(C(=O)CN2CCNC(=O)C2)CC1 1201941673 RHLWWQWDUMBYGL-UHFFFAOYSA-N 308.426 -0.035 30 20 DBED C=CCCOCC(=O)N1CCCO[C@H](CNCC(=O)NC)C1 1202190392 CEIATSMXJCHQBJ-CYBMUJFWSA-N 313.398 -0.468 30 20 DBED CC#CCN[C@@H]1C[C@H](NC(=O)CN2CC(=O)NC2=O)C12CCC2 1203508248 WZTMCCUSYNUBGN-NEPJUHHUSA-N 318.377 -0.422 30 20 DBED C#CCCN[C@H]1C[C@H](NC(=O)Cn2c(O)nnc2O)C12CCC2 1203661802 WEGOBEKUKMIRSO-QWRGUYRKSA-N 319.365 -0.270 30 20 DBED CNC(=O)NCCC(=O)N[C@@H]1CN(CC#CCOC)C[C@H]1C 1206934111 VLHVNDGYXIKGJP-CHWSQXEVSA-N 310.398 -0.608 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2nncn2C)C[C@H]1C 1206963921 RLFYWGBGUIPCSF-FRRDWIJNSA-N 305.382 -0.210 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)CN2CCCC2)C1 1211090281 JGJQGHCYFJMFIS-HUUCEWRRSA-N 320.437 -0.199 30 20 DBED CO[C@@H]1CN(Cc2ncnn2CCF)C[C@H]1NC(=O)[C@H](C)C#N 1212039294 JECJPCQIMBXASN-IJLUTSLNSA-N 324.360 -0.277 30 20 DBED CC#CCN1C[C@@H](NC(=O)COCc2nccn2C)[C@H](OC)C1 1212446367 RVCUUVGTOPPBBO-ZIAGYGMSSA-N 320.393 -0.225 30 20 DBED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)[C@@H]1CCC1(C)C 1213297413 FFLSWSWTXYSNLP-YNEHKIRRSA-N 322.409 -0.122 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)CCc2nc[nH]n2)C[C@H]1C 1214411069 CFSIGBWHNYOCFK-VXGBXAGGSA-N 320.397 -0.524 30 20 DBED CCN(CC)CC(=O)N1C[C@@H](NCC(=O)NCC#N)[C@H](C)C1 1215994029 MTUIUOHYNYHYBU-CHWSQXEVSA-N 309.414 -0.596 30 20 DBED C=CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H](C)NC(=O)COC 1217977406 YPPFNGHVKGWWOO-RWMBFGLXSA-N 311.382 -0.765 30 20 DBED COCC(=O)N[C@@H]1CN(CC#Cc2ccc(F)cc2)C[C@@H]1O 1219089626 MMADKWQLLCIFSC-CABCVRRESA-N 306.337 -0.015 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CN(Cc2ncnn2C(C)(C)C)C[C@@H]1O 1219378977 KLPFAGJBCKFORK-UTUOFQBUSA-N 320.397 -0.146 30 20 DBED CCC(C)(C)NC(=O)CN1C[C@H](O)[C@H](NC(=O)C#CC2CC2)C1 1219591698 QSIHZBPYMMJGHV-KGLIPLIRSA-N 321.421 -0.134 30 20 DBED C#CCC1(C(=O)N[C@@H]2CN(CC(=O)NCCC)C[C@@H]2O)CCC1 1219783604 BDJRPEUFKDGNFI-KGLIPLIRSA-N 321.421 -0.133 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)CC(=O)NCC(F)(F)F)C1 1220651882 NXJBTDYRBAAKII-ZJUUUORDSA-N 323.315 -0.208 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)c2cnn(C(C)C)c2)C1 1220744589 MGEJCUXAPMRXIH-CABCVRRESA-N 320.393 -0.111 30 20 DBED C=CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3[nH]nnc3C)[C@@H]2C1 1221727948 RVZCTEXDEPPDOX-VXGBXAGGSA-N 318.381 -0.438 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)CN(C)C(C)=O)CC1 1222425379 FUIHGUZAZNULIX-UHFFFAOYSA-N 322.409 -0.958 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)Cc1ccon1 1225484710 YQIGQURNXKJFPC-CHWSQXEVSA-N 319.365 -0.126 30 20 DBED C=CCCN1CCC(NC(=O)CNS(=O)(=O)NC)CC1 1228457334 OYOAGUFKGAVJPM-UHFFFAOYSA-N 304.416 -0.803 30 20 DBED C=CCCC(=O)N(C)C[C@H]1CCN1CC(=O)N1CCNC(=O)C1 1231121788 ILBCLAFMNMTOGW-CYBMUJFWSA-N 322.409 -0.556 30 20 DBED C[C@@H](c1nnnn1C)N(C)CCCNC(=O)CSCC#N 1234154365 JPZLVVMBSQGVDH-JTQLQIEISA-N 311.415 -0.034 30 20 DBED CNC(=O)NC(=O)[C@H](C)N1CC[C@@H]1CN(C)C(=O)C#CC1CC1 1234194999 HKLBTDHDEOGYPN-WCQYABFASA-N 320.393 -0.223 30 20 DBED C[C@@](O)(CNC(=O)NCCN/C(O)=C1/N=CC=CC1=O)C1CC1 1251798890 UQLJACFPSPKWOI-WIDZWVOGSA-N 322.365 -0.027 30 20 DBED C=CCN(CCOC)C(=O)C(=O)NCC(C)(C)S(C)(=O)=O 1261148726 ISCSVZSZBXYSGT-UHFFFAOYSA-N 320.411 -0.413 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1261859126 MANIZGKSVMDDFC-HNNXBMFYSA-N 312.373 -0.330 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)C2(C#N)CCCC2)CC1 1261915043 XJFFTZXGGGWXOQ-UHFFFAOYSA-N 324.406 -0.318 30 20 DBED C#CCCN[C@H]1CCN(C(=O)[C@@H](NS(C)(=O)=O)C(C)C)C1 1266553726 UYPKLFLAEFZRGK-STQMWFEESA-N 315.439 -0.226 30 20 DBED Cn1cc(C=NNc2nncc(N)c2Cl)c(=O)n(C)c1=O 1319278832 SOYQXKWJJXIVIP-UHFFFAOYSA-N 309.717 -0.444 30 20 DBED C=CCNC(=O)CNC(=O)N[C@H](C)C(=O)NCC(F)(F)F 1320094302 IXEPSHZQQUWPGQ-SSDOTTSWSA-N 310.276 -0.345 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN3CCCC[C@H]23)CCO1 1321886718 OVPHAUONVDYUKA-JHJVBQTASA-N 306.366 -0.520 30 20 DBED C=C[C@@H](C)NC(=O)C(=O)Nc1cnn(CC(=O)NC2CC2)c1 1322688176 JZUSVSMOFKFJEY-SECBINFHSA-N 305.338 -0.209 30 20 DBED CC(C)N1CC[C@@H](NC(=O)C(=O)N2CC[C@@](F)(C#N)C2)C1=O 1322791821 GRZYRGJKGVCUAZ-QMTHXVAHSA-N 310.329 -0.424 30 20 DBED COC1CCC(NC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)CC1 1326128211 PIVXAQPYKKKOIH-QOZQQMKHSA-N 309.366 -0.063 30 20 DBED C=C[C@H](O)C(=O)OCC(=O)N1CCC(C(=O)N2CCCC2)CC1 1327789928 YPDOQXALIBIMFO-ZDUSSCGKSA-N 324.377 -0.063 30 20 DBED C#CCNC(=O)C1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC1 1340087721 PCBIIYXPMRZBGP-UHFFFAOYSA-N 305.294 -0.081 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N[C@H](C)[C@@H]1CN(C)CCO1 1343129811 CPUJXJWFERWBMU-KGLIPLIRSA-N 305.378 -0.693 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCC(F)(F)CC1 1343310202 GSAQEGAVAVIOMO-UHFFFAOYSA-N 324.349 -0.039 30 20 DBED C=C(C)Cn1c(N2CCCNC(=O)C2)nnc1[C@@]1(O)CCOC1 1343351083 RFADZLURFUYDSN-OAHLLOKOSA-N 321.381 -0.212 30 20 DBED COC(=O)NC1CN(C(=O)C(=O)NCc2ccc(C#N)cc2)C1 1345746928 GDJROMIDGYEVBB-UHFFFAOYSA-N 316.317 -0.259 30 20 DBED C#CCSCCNC(=O)C(=O)N(C)[C@@H](C)CS(C)(=O)=O 1346609963 HOAWRFFSRKWQOQ-JTQLQIEISA-N 320.436 -0.640 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CCO[C@H](CC)C2)nn1 1349046629 VLKAXCIEFBQIMZ-GFCCVEGCSA-N 307.354 -0.282 30 20 DBED C[C@@H]1OCCN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)[C@@H]1C 1351771126 YTTKBVKGZIFXCY-MBNYWOFBSA-N 320.393 -0.179 30 20 DBED N#CCc1cccc(NC(=O)N2CCN(CC(N)=O)C(=O)C2)c1 1365203367 ZJTSFQDXQHEMSR-UHFFFAOYSA-N 315.333 -0.086 30 20 DBED CNC(=O)c1ccc(CNC[C@@H](O)CNC(=O)[C@H](C)C#N)cc1 1374588102 DIQFWDYHKNQRRY-BXUZGUMPSA-N 318.377 -0.227 30 20 DBED CC(=O)N(C)CC(=O)NC[C@@H]1CN(C(=O)[C@@H](C)C#N)CCCO1 1406037458 WIPQKTQOGXUALM-WCQYABFASA-N 324.381 -0.642 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CCN(C(=O)c2cn(C)c(=O)n2C)C1 1408391697 OCKBTYOLUOBGHE-WDEREUQCSA-N 319.365 -0.538 30 20 DBED CCCn1ncc(C(=O)NC[C@@H](O)CNC(=O)[C@@H](C)C#N)c1C 1410166235 NNGKLWBSGDQWBC-JQWIXIFHSA-N 321.381 -0.032 30 20 DBED N#CCc1ccnc(NC(=O)NN2CCS(=O)(=O)CC2)c1 1413607759 SUXYKXYGSNJJAI-UHFFFAOYSA-N 309.351 -0.085 30 20 DBED CC[C@H]1CN(C(=O)Cn2cc(C#N)c(O)nc2=O)[C@H](C)CO1 1418312881 SZAOPJRFIZXNTK-KOLCDFICSA-N 306.322 -0.154 30 20 DBED C=C(Br)CNC1(CNC(=O)Cn2cnnn2)CC1 1420911687 MXTPIXXSYITWFB-UHFFFAOYSA-N 315.175 -0.180 30 20 DBED N#Cc1cccc(CNC[C@H](O)CNC(=O)[C@H]2C[C@H]2C(N)=O)c1 1445239085 FTJCPSSGKKYQED-MJBXVCDLSA-N 316.361 -0.754 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1coc(C2CC2)n1 1458000953 MPABXNCQXJFXHB-WPRPVWTQSA-N 306.322 -0.081 30 20 DBED C[C@@H]1COC[C@@H]1NC(=O)CNS(=O)(=O)c1cccc(C#N)c1 1458021955 CFYJLOVKJSFWNC-MFKMUULPSA-N 323.374 -0.012 30 20 DBED Cc1nn2cccnc2c1S(=O)(=O)N1CCOC[C@H]1C#N 1463104368 ZOUFSRNURUBVBN-SNVBAGLBSA-N 307.335 -0.049 30 20 DBED N#Cc1cnn2c(O)cc(CN3CCS(=O)(=O)CC3)nc12 1473147666 QSWYJRRISNETAY-UHFFFAOYSA-N 307.335 -0.463 30 20 DBED N#CCNC(=O)CN1CCC[C@@H](NC(=O)CO[C@H]2CCOC2)C1 1479904214 YUCVMIMGNKMDTA-OLZOCXBDSA-N 324.381 -0.988 30 20 DBED CS(=O)(=O)CCNC(=O)N1CCC(C#N)(C(=O)O)CC1 1571080167 NPOHSUQWKSZSDF-UHFFFAOYSA-N 303.340 -0.569 30 20 DBED N#Cc1ccc(F)c(CS(=O)(=O)N2CC(O)(C(=O)O)C2)c1 1571119689 KJCBEQSIIQJZRO-UHFFFAOYSA-N 314.294 -0.342 30 20 DBED CC(C)[C@H]1C(=O)NCCN1c1cnc(-c2nn[nH]n2)c(C#N)n1 1574089229 DXJMYMKECWTEGO-NSHDSACASA-N 313.325 -0.511 30 20 DBED C[C@]1(C#N)CN(C(=O)NCc2cn(C3CNC3)nn2)CCO1 1576329158 BZGIFAXGWURLHZ-ZDUSSCGKSA-N 305.342 -0.754 30 20 DBED C#C[C@@H](CO)NC(=O)c1cc(-c2nn[nH]n2)cc(N(C)C)c1 1588328151 ZYCHRKDGHGIDAF-NSHDSACASA-N 300.322 -0.343 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N(CCN(C)C)CC(=O)O 1588544141 ZZEBFGVCORYWFU-SNVBAGLBSA-N 306.388 -0.729 30 20 DBED C=C[C@H](C(=O)O)N(CC)CC(=O)N[C@H]1CCS(=O)(=O)C1 1588663745 KIOVGSUDUICWGN-VHSXEESVSA-N 304.368 -0.749 30 20 DBED C[C@@]1(C(=O)O)CCCN1C(=O)Cn1cc(C#N)c(O)nc1=O 1589184689 AAUOTGBFIRNROI-ZDUSSCGKSA-N 306.278 -0.714 30 20 DBED N#Cc1cccc(-c2nn[nH]n2)c1N1CC2(CC(=O)NCCN2)C1 1592697932 CDKBUJPALZQXQM-UHFFFAOYSA-N 324.348 -0.593 30 20 DBED Cn1nccc1[C@@H](NS(=O)(=O)c1ccc(C#N)o1)C(=O)O 1601035733 ZOSJNZZKIAFXOI-SNVBAGLBSA-N 310.291 -0.011 30 20 DBED N#C[C@@]1(NC(=O)CN2CCC[C@@H](C(=O)O)C2=O)CCSC1 1601057174 OHZNDNYDROHAOY-RNCFNFMXSA-N 311.363 -0.175 30 20 DBED N#CCN(CCC(=O)O)C(=O)c1ccc(OCC(N)=O)cc1 1601071977 LWUIQYBNPNTPNF-UHFFFAOYSA-N 305.290 -0.009 30 20 DBED N#Cc1cccc(NC(=O)C(=O)N2CCC[C@H](O)[C@@H]2C(=O)O)c1 1601122563 QAYFXFGIAAEENP-NWDGAFQWSA-N 317.301 -0.067 30 20 DBED COC(=O)C1(C#N)CCN(C(=O)NCCOCC(=O)O)CC1 1606346783 LVMCWPXOMXJDJH-UHFFFAOYSA-N 313.310 -0.424 30 20 DBED C[C@@](O)(CNC(=O)C(=O)Nc1ccc(F)c(C#N)c1)C(=O)O 1609942972 AHRIMTHGLMDKAP-CYBMUJFWSA-N 309.253 -0.412 30 20 DBED CC[C@@H](C#N)C(=O)N1CCN(S(=O)(=O)c2nc[nH]n2)CC1 1647251113 IWPBTQUQVGLOHB-VIFPVBQESA-N 312.355 -0.813 30 20 DBED COC(=O)c1cc(S(=O)(=O)N2CCOC[C@H]2C#N)on1 1647314072 HRINNFYTVPIOIS-SSDOTTSWSA-N 301.280 -0.626 30 20 DBED C#CCNC(=O)[C@H](C)N(CC)CCCNC(=O)c1ncn(C)n1 1752181326 UOOUFAARBQAMQT-LBPRGKRZSA-N 320.397 -0.605 30 20 DBED CN(CC#N)[C@H]1CCCN(C(=O)CCNS(C)(=O)=O)C1 1752992157 GTCFUCWNQNOTNX-NSHDSACASA-N 302.400 -0.628 30 20 DBED CC[C@H](C)OCC(=O)NC[C@@H]1CCN(CC(=O)NCC#N)C1 1753122319 KHNKFRLBABVYHO-STQMWFEESA-N 310.398 -0.121 30 20 DBED C#CCN1CCN(CCN(C)C(=O)c2cnc(O)n2C)CC1 1753342796 YCTAZKFQEWUWQG-UHFFFAOYSA-N 305.382 -0.552 30 20 DBED C=CCNC(=O)CNC[C@@H](C)NC(=O)c1cccc(C(N)=O)c1 1754231509 JAGNICSMINCSNI-LLVKDONJSA-N 318.377 -0.204 30 20 DBED Cc1cc(C)n(CCC(=O)N[C@@H](C)CNCC(=O)NCC#N)n1 1754277787 YDXUXSALZVAWDN-LBPRGKRZSA-N 320.397 -0.376 30 20 DBED C#CCNC(=O)CNC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1cncn1C 1754284032 WKIABDRGZUNJNH-YNEHKIRRSA-N 317.393 -0.633 30 20 DBED C#CCNC(=O)[C@H](C)N(C)C[C@@H](C)NC(=O)c1nccnc1N 1754303800 BMBQHBYHCQPKAX-MNOVXSKESA-N 318.381 -0.753 30 20 DBED C#CCCN1CC[C@H]1CNC(=O)C[C@]1(C)CCS(=O)(=O)N1 1754500574 LEBCDKGKMMGETO-JSGCOSHPSA-N 313.423 -0.328 30 20 DBED COCC#CCN1CC[C@H]1CNC(=O)CNC(=O)C(C)(C)C 1754502572 LOPWZCIZPUIWEV-ZDUSSCGKSA-N 309.410 -0.011 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@](C)(NC(=O)c2ncc[nH]2)C1 1754669698 GFEXSSDJJKZMRR-ABAIWWIYSA-N 303.366 -0.258 30 20 DBED C#CCOCCC(=O)N1CC[C@@](C)(CNCC(=O)NCC#N)C1 1754695891 TUUCWHBIIGVOHX-INIZCTEOSA-N 320.393 -0.506 30 20 DBED CC#CCN1CC(O)(CNC(=O)c2ccc3c(n2)OCCO3)C1 1754770083 WZXVVRWSLBUGHL-UHFFFAOYSA-N 317.345 -0.347 30 20 DBED C[C@H](NC(=O)C1CCCCC1)C(=O)NCC1(O)CN(CC#N)C1 1754778757 HSFMQHQZVDOHEH-LBPRGKRZSA-N 322.409 -0.242 30 20 DBED C[C@H](NCC(=O)NCC#N)[C@@H]1CCN(C(=O)CSCC#N)C1 1754788147 QYOYFBSOWPYJDE-NWDGAFQWSA-N 323.422 -0.290 30 20 DBED C=CCCOCC(=O)NC[C@@H]1COCCN1Cc1nnn(C)n1 1754973786 GOMUNOYKFKUQHL-GFCCVEGCSA-N 324.385 -0.880 30 20 DBED C#CCNC(=O)CN(C)CCCN(C)C(=O)Cc1nonc1C 1755044444 OSJYFBYQVQHAMH-UHFFFAOYSA-N 321.381 -0.550 30 20 DBED C#CCN[C@@]1(CO)CCCN(C(=O)[C@H]2CCCCN2C(N)=O)C1 1755090358 KSCPLPWTJNSOGV-CJNGLKHVSA-N 322.409 -0.504 30 20 DBED C=CCn1cc(C(=O)NC[C@H](C)N(C)Cc2nc(O)n[nH]2)nn1 1755319868 LAKNTNZFSSMGBL-VIFPVBQESA-N 320.357 -0.462 30 20 DBED COCC#CCNC[C@H]1C[C@H](NC(=O)[C@H]2CCC(=O)NC2)C1 1755473958 VETCSHCVSVEXHM-IHRRRGAJSA-N 307.394 -0.353 30 20 DBED CN(CC1CC1)C(=O)CN[C@H](CO)CNC(=O)C#CC1CC1 1755626967 AIUXZZSHDGWZRX-AWEZNQCLSA-N 307.394 -0.665 30 20 DBED C=CCOCCN1CC[C@]2(NC(=O)[C@H]3CNC(=O)N3)CCC[C@@H]12 1755702666 XFQVSWWDEGJRQG-XJKCOSOUSA-N 322.409 -0.016 30 20 DBED N#CCNC(=O)CNC[C@@H]1CC[C@@H](NC(=O)c2cn[nH]c2)C1 1755731974 ZWVGZMODKMCICQ-ZYHUDNBSSA-N 304.354 -0.462 30 20 DBED C#CCO[C@H](C)C(=O)NCC1=CCN(Cc2nnnn2C)CC1 1755886573 MBTZUARAEMXOJB-GFCCVEGCSA-N 318.381 -0.503 30 20 DBED C#CCCCC(=O)N(C)C[C@@H](O)CNC(=O)Cn1ccnc1 1756660851 NWLOJMFSLZGYJJ-ZDUSSCGKSA-N 306.366 -0.378 30 20 DBED C=CCO[C@@H](C)C(=O)NC[C@H](O)CN(C)C(=O)c1[nH]cnc1C 1756668240 FSEZHDPFMPPSER-RYUDHWBXSA-N 324.381 -0.142 30 20 DBED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)n3ccnn3)C2)C1 1782762399 HUCCPEJGQKUNKR-WFASDCNBSA-N 317.349 -0.698 30 20 DBED CC(C)[C@@H](S)C(=O)N1CCCC12CN(C(=O)[C@@H](N)CN)C2 1841624954 DEAMQEDLKQVHQO-WDEREUQCSA-N 314.455 -0.570 30 20 DBED C=C1CC(C(=O)N2CC3(CCCN3C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1845064685 RMHDOBKMFCXEFF-KBPBESRZSA-N 319.405 -0.121 30 20 DBED N#Cc1cccc(CS(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)O)c1 37462067 VGOMKUJOTNJCHD-VXGBXAGGSA-N 310.331 -0.092 30 20 DBED CC(C)CCN/C(N)=N/CCS(=O)(=O)N1CCOCC1 104183906 MNZWDMDFNRHCJU-UHFFFAOYSA-N 306.432 -0.401 30 20 DBED CN1CCO[C@H]2CN(S(=O)(=O)c3ccc(C#N)nc3)C[C@@H]21 128752852 KSVHSNASEGTYIV-STQMWFEESA-N 308.363 -0.343 30 20 DBED N#Cc1c(F)cccc1S(=O)(=O)NCC1(CO)COC1 129082609 UNHAOLFABHDASC-UHFFFAOYSA-N 300.311 -0.015 30 20 DBED C=CCNC(=O)C/N=C(/N)N1CCN(c2ncccn2)CC1 262080788 FDEBZCIIYPCZLZ-UHFFFAOYSA-N 303.370 -0.785 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@@H](C)CC(=O)OC)CC1 268218678 SBMPBPIWHHEMLZ-ZDUSSCGKSA-N 323.393 -0.531 30 20 DBED COC(=O)C[C@H]1C(=O)NCCN1C(=O)c1cc(C#N)oc1C 280623076 RXBZZLXFMGEELQ-NSHDSACASA-N 305.290 -0.037 30 20 DBED CNS(=O)(=O)CCNC(=O)[C@H](C#N)Cc1ccc(C#N)cc1 281319987 VIZAIPFOSNKIDY-ZDUSSCGKSA-N 320.374 -0.094 30 20 DBED C#CCONC(=O)CCC(=O)N1CCN(c2ncccn2)CC1 291354596 XPYUEVREFNOCTR-UHFFFAOYSA-N 317.349 -0.414 30 20 DBED C#CCN(C)CCCNC(=O)N1CCN(CCOC)C(=O)C1 296912515 NUCNUOHQDYELQT-UHFFFAOYSA-N 310.398 -0.558 30 20 DBED CCN(/C(O)=N/[C@@H]1CC(=O)N(C)C1)[C@@H]1CCS(=O)(=O)C1 329204466 YWKVSNSRVCEVCM-NXEZZACHSA-N 303.384 -0.360 30 20 DBED O=C(C/N=C(/O)[C@@H]1CCCCS1(=O)=O)N1CCOCC1 329662957 JGXLFXWNJKKGNY-JTQLQIEISA-N 304.368 -0.231 30 20 DBED COCC/N=C(/O)Nc1cnn(CC(=O)N2CCOCC2)c1 331018105 HZBLJAMASXJVAR-UHFFFAOYSA-N 311.342 -0.286 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@H]2C[C@@H]2C(=O)OC)CC1 340007418 ZRUCWWKBXZBHEP-RYUDHWBXSA-N 309.366 -0.758 30 20 DBED COC(=O)[C@@H]1C[C@@H](OC)CN1C(=O)[C@@H](C)n1cnc(C#N)n1 342731566 KWEJGCIGJFZVQJ-BBBLOLIVSA-N 307.310 -0.500 30 20 DBED CNS(=O)(=O)C[C@@H]1CCCN1CC(=O)NC1(C#N)CCC1 346984402 CKXIFICWMSYCDQ-NSHDSACASA-N 314.411 -0.438 30 20 DBED COC(=O)C1(O)CCN(CC(=O)N(CCC#N)CCC#N)CC1 354836963 QPVCYGADAIDHPA-UHFFFAOYSA-N 322.365 -0.358 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H]2CC[C@@H](O)C2)C1=O 356631867 ZVGZQWLIWWUTAT-NXEZZACHSA-N 309.322 -0.760 30 20 DBED C=CCN(CC(=O)N1CCN(CC(=O)N(C)C)CC1)C1CC1 357553164 NWOFZIGOMFUINO-UHFFFAOYSA-N 308.426 -0.131 30 20 DBED C=CCOC[C@@H](NC(=O)c1cnc(COC)nc1N)C(=O)OC 357668340 HPQVKFQNJRNSMS-SNVBAGLBSA-N 324.337 -0.321 30 20 DBED CC1(C)NC(=O)N(CCCC(=O)N[C@]2(C#N)CCOC2)C1=O 358445150 RKMIZOLOTXCQDA-AWEZNQCLSA-N 308.338 -0.104 30 20 DBED Cc1ccc(NC(=O)NCC(=O)NCC#N)cc1-n1cnnn1 376814412 NJHVGUKKIVBVCN-UHFFFAOYSA-N 314.309 -0.268 30 20 DBED CN(C)C(=O)N1CCN(S(=O)(=O)c2cccnc2C#N)CC1 401797516 LJRQRJSGXPLKSA-UHFFFAOYSA-N 323.378 -0.059 30 20 DBED N#Cc1ncccc1S(=O)(=O)NCCN1C(=O)CCCC1=O 405924312 FPNQLBSQUNVXQW-UHFFFAOYSA-N 322.346 -0.229 30 20 DBED CN(CCC#N)S(=O)(=O)N1CCOC[C@@H]1[C@@H]1CCCO1 408070278 INZFNLJGWCSABK-NEPJUHHUSA-N 303.384 -0.044 30 20 DBED CNS(=O)(=O)c1cc(NC(=O)C(=O)NCCC#N)ccc1C 427888355 SWPAEGVKPAHPDD-UHFFFAOYSA-N 324.362 -0.129 30 20 DBED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N1CCn2ncnc2C1 430397231 AEALAXIPRKRKKA-WCQYABFASA-N 319.365 -0.282 30 20 DBED C[C@@H]1CN(C(=O)C(=O)Nc2ccn(CCC#N)n2)CCCO1 444509585 WRKPFOOUFZMKCW-LLVKDONJSA-N 305.338 0.373 30 20 DBED N#Cc1cccc(F)c1CC(=O)N1CCN(CC(N)=O)C(=O)C1 458070528 MEWKBXVHVFMSOC-UHFFFAOYSA-N 318.308 -0.604 30 20 DBED C#CCNS(=O)(=O)CCCS(=O)(=O)Nc1ccnn1C 491506604 QKRAUPPJXWFGSI-UHFFFAOYSA-N 320.396 -0.896 30 20 DBED C=CCn1cc(CNC(=O)N2C[C@@H](C(=O)OC)C[C@@H](O)C2)nn1 592030822 KGLYXHQVCUZWIJ-CMPLNLGQSA-N 323.353 -0.471 30 20 DBED COc1cc(C#N)ccc1NC(=O)C(=O)NC[C@@H]1COCCN1 599897452 GEZWEXCMEXRGSX-LLVKDONJSA-N 318.333 -0.390 30 20 DBED CCOC(=O)C[C@H](C(F)(F)F)S(=O)(=O)NCC#CCO 601456576 PNLZJMSAGJVZIP-MRVPVSSYSA-N 317.285 -0.214 30 20 DBED N#CCCN1CCN(C(=O)C(=O)NC[C@@H]2CCCOC2)CC1 602236389 TYJXLPJHWHSRCE-ZDUSSCGKSA-N 308.382 -0.413 30 20 DBED CC1(C)NC(=O)N(CCCC(=O)N(CC#N)CC(=O)O)C1=O 736738340 SLOLQSPPVPSDCA-UHFFFAOYSA-N 310.310 -0.466 30 20 DBED C[C@H](OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)O 737708832 XNLDYTDENIMTTD-QMMMGPOBSA-N 312.303 -0.147 30 20 DBED C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)OCCCC#N 756755884 NYMWFMHOUKVQDN-VIFPVBQESA-N 300.340 -0.066 30 20 DBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(N)=O 766286153 NXYWEOOVHQFEAT-MRVPVSSYSA-N 311.319 -0.746 30 20 DBED C=CCN1CC[C@H](N(C)CN2C(=O)C(=O)N(CCC)C2=O)C1=O 799144237 WSXFZMQCMGWHBM-NSHDSACASA-N 322.365 -0.137 30 20 DBED C#CCNS(=O)(=O)N1CCN(CCOC2CCC2)CC1 805747081 RIBLUQWNNYFVFC-UHFFFAOYSA-N 301.412 -0.359 30 20 DBED C#CCNC(=O)CONC(=N)c1cn(Cc2ccccc2)nn1 808274287 OAOLBENBJUITRM-UHFFFAOYSA-N 312.333 -0.078 30 20 DBED CC#CCS(=O)(=O)NC(=O)[C@@H](C)Sc1nncn1C 810779015 VIMMBZIOAVSSSM-MRVPVSSYSA-N 302.381 -0.235 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)[C@H]1CCc2nnn(C)c2C1 811344618 KOQGKOXKBIDKCC-VIFPVBQESA-N 321.337 -0.525 30 20 DBED C#C[C@H](NC(=O)NCCCn1cc(CO)nn1)[C@H]1CCCO1 812199558 BDDINCWWODSCQH-QWHCGFSZSA-N 307.354 -0.360 30 20 DBED C[C@@H](CC#N)N(C)c1c(-c2nn[nH]n2)c(=O)n(C)c(=O)n1C 820219697 INHWACXJQFWSHA-ZETCQYMHSA-N 304.314 -0.998 30 20 DBED N#C[C@@H]1CNC[C@H]1NC(=O)c1cnc2nc(O)nc(O)c2c1 834489239 LAYKFOJJEWVQQT-VXNVDRBHSA-N 300.278 -0.723 30 20 DBED C=C(C)CONC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 846540699 HEQSLPSQPWRLEB-UHFFFAOYSA-N 307.310 -0.942 30 20 DBED N#C[C@H]1CN([C@@H]2CC(=O)N(CCCO)C2=O)CCN1C1CC1 864350011 ASYYAYDMZYPEOZ-QWHCGFSZSA-N 306.366 -0.832 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(NC(=O)[C@H](C)OCC#C)COC1 870201238 LMMLLYDLDZZEAT-STQMWFEESA-N 322.361 -0.936 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@]23CCC[C@H]2NCC3)C1=O 877393103 PFCMMLGXOOKXJY-MEBBXXQBSA-N 320.349 -0.636 30 20 DBED C=CCC[C@@H](O)Cn1cc(CN2CCS(=O)(=O)CC2)nn1 881407580 QLDPQBOSFXIFGK-CYBMUJFWSA-N 314.411 -0.164 30 20 DBED COC(=O)[C@@H]1CSCCN1S(=O)(=O)N(C)CCC#N 885824664 GDXUMSKFKMRIJZ-VIFPVBQESA-N 307.397 -0.333 30 20 DBED C[C@H](OC(=O)CN(C)S(C)(=O)=O)C(=O)N(C)CCC#N 914924145 XZPDVLBXBPVKIY-VIFPVBQESA-N 305.356 -0.818 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)c2ccc(=O)n(C)n2)C1 938872838 MDCLKOORMIFWRS-UWVGGRQHSA-N 303.322 -0.729 30 20 DBED C[C@H]1CN(CC#N)CC[C@H]1NC(=O)CN1C(=O)CN(C)C1=O 944790304 PHYLVFRAGWDYHT-WDEREUQCSA-N 307.354 -0.769 30 20 DBED Cc1nn[nH]c1C(=O)N1CC[C@H]1CNC(=O)c1cc(C#N)c[nH]1 949298750 RBNGVRLKZOLSMN-JTQLQIEISA-N 313.321 -0.043 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1cn(C)nn1 949749988 KJBIRMLFWDTQBR-WZRBSPASSA-N 319.365 -0.263 30 20 DBED O=C1NC[C@@H](C(=O)N[C@@H]2CCCN(C(=O)C#CC3CC3)C2)N1 950760939 BYYKPCQKHLSPQX-NEPJUHHUSA-N 304.350 -0.812 30 20 DBED COc1cnc(C(=O)NC[C@H]2CCN2C(=O)[C@H](C)C#N)nc1 951316454 RDIZLOVWUDEOMM-NXEZZACHSA-N 303.322 -0.024 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2ccc3nn[nH]c3n2)C1 958121673 JOVSJZPBBOYOLT-BXKDBHETSA-N 300.322 -0.991 30 20 DBED C=CCN1C[C@H](O)[C@H](CNC(=O)c2ccnn2CCOC)C1 958171975 OFHZUQXWHVHVIY-OCCSQVGLSA-N 308.382 -0.262 30 20 DBED C#CCN1C[C@H](CNC(=O)c2cnc(C3CC3)nc2O)[C@@H](O)C1 958467821 NKEYMMXLFJLVPI-AAEUAGOBSA-N 316.361 -0.285 30 20 DBED C=C1CC(C)(C(=O)N2C[C@@H](NC(=O)Cn3ncnn3)[C@H](C)C2)C1 958676537 UUSWCZQVJXUERN-VXGBXAGGSA-N 318.381 -0.008 30 20 DBED Cc1nccn1CC(=O)N(C)[C@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1O 958851301 LMOCZNUOKPGULT-WXHSDQCUSA-N 319.365 -0.619 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)c1ncccc1O 964161315 ZWANIMIFEUDVPT-QWRGUYRKSA-N 318.333 -0.096 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)c1ccn(C)n1 964191948 ODGFFGGKJJNPAF-QWRGUYRKSA-N 305.338 -0.463 30 20 DBED C=CCN1CC[C@H](N[C@@H]2CCN(C(=O)[C@H]3CCC(=O)N3)C2)C1=O 967767709 MWAOFPUWTDJGJN-UPJWGTAASA-N 320.393 -0.758 30 20 DBED C#CCN1CC[C@@H](C)[C@@H](NC(=O)CN2CCC(=O)NC2=O)C1 968513541 MOXISAGQYWLMBI-NEPJUHHUSA-N 306.366 -0.612 30 20 DBED C#Cc1cncc(C(=O)N2C[C@@H]3CC[C@H](C2)N3C(=O)C(N)=O)c1 969793681 OROWDAKSRLJDKD-BETUJISGSA-N 312.329 -0.636 30 20 DBED C#CCCN1CCO[C@]2(CCN(C(=O)CS(C)(=O)=O)C2)C1 972286852 VFSVRVXUKFTJLE-CQSZACIVSA-N 314.407 -0.642 30 20 DBED Cn1cc(CCC(=O)N2CC[C@]3(CN(CC#N)CCO3)C2)nn1 972705475 YTJPXBZFXQDYCG-HNNXBMFYSA-N 318.381 -0.425 30 20 DBED C#Cc1cncc(C(=O)N[C@H]2C[C@H](NC(=O)Cn3nccn3)C2)c1 973314625 FKJMWZZUVADDJK-HDJSIYSDSA-N 324.344 -0.268 30 20 DBED O=C1C[C@H](C(=O)NC[C@@H]2CCN(C(=O)C#CC3CC3)C2)CCN1 982741723 IUJWCEIRQJFQFS-UONOGXRCSA-N 317.389 -0.109 30 20 DBED C=CCN[C@H]1CCN(C(=O)Cn2ncn3nccc3c2=O)[C@H]1C 987113527 UZWBRYAJGUNQKR-RYUDHWBXSA-N 316.365 -0.344 30 20 DBED C#CCN1CCCN(C(=O)c2cc(=O)n3[nH]cnc3n2)CC1 989478357 XQPMWADXCYLIJJ-UHFFFAOYSA-N 300.322 -0.801 30 20 DBED C=CCN[C@@H]1CCC[C@@H]2CN(C(=O)CN3CC(=O)NC3=O)C[C@H]21 992865184 XGAHWBAMAPXKBP-JHJVBQTASA-N 320.393 -0.059 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)Cc3cc[nH]n3)C2)nc1 997088502 RZFUWHREGSXPKK-UHFFFAOYSA-N 309.329 -0.031 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)C1CN(C(=O)CC(N)=O)C1 1006164089 DLJGYSYNZFVOBT-WBIUFABUSA-N 323.393 -0.194 30 20 DBED C[C@H](C#N)C(=O)N1CCCC2(C1)CN(C(=O)[C@H]1COC(=O)N1)C2 1010637316 SWLYRHUSJZVBLT-GHMZBOCLSA-N 320.349 -0.295 30 20 DBED C[C@H]1CCN(C(=O)C(N)=O)C[C@@H]1CNC(=O)c1ccc(C#N)[nH]1 1018616137 CBKGVEQFOCBHEX-UWVGGRQHSA-N 317.349 -0.414 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@H](N[C@H]3CCC(=O)NC3=O)C2)c1 1018683024 VLBKWNRTYQNLEA-QWRGUYRKSA-N 315.333 -0.504 30 20 DBED CN(Cc1nnn(C)n1)C[C@@H]1CCN(C(=O)C#CC2CC2)C1 1029734157 SMZIAEVIILXPLB-ZDUSSCGKSA-N 302.382 -0.096 30 20 DBED C#CCCN1CC[C@H](N(C)C(=O)Cn2ccc(O)nc2=O)C1 1033241044 RUWFTPNCPVQLCH-LBPRGKRZSA-N 304.350 -0.495 30 20 DBED Cc1cnc2c(C(=O)NC[C@H]3CN(CC#N)CCO3)cnn2c1 1035533292 FKHWRMSIZNBSHA-LBPRGKRZSA-N 314.349 -0.008 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)c2ccc(=O)n(CC)n2)C1 1035551071 KASVWGLBYPPZJM-LBPRGKRZSA-N 304.350 -0.673 30 20 DBED Cc1cc2[nH]c(=O)c(C(=O)NC[C@@H]3CCN3CC#N)cn2n1 1038814272 YADWXOULJXALBJ-JTQLQIEISA-N 300.322 -0.341 30 20 DBED Cc1cc(=N[C@H]2CCN(C(=O)CC(N)=O)[C@H]2C)c(C#N)c[nH]1 1040078406 UNWASEORDISFLS-JQWIXIFHSA-N 301.350 -0.040 30 20 DBED C=CCCOCC(=O)NC[C@]1(O)CCN(C(=O)[C@@H](C)C#N)C1 1040161977 RQVXGELNSMUVFB-SWLSCSKDSA-N 309.366 -0.182 30 20 DBED C=CCOCC(=O)N1CC[C@@](O)(CNC(=O)c2cccnn2)C1 1040677296 UIRXXTXSRGOJLN-OAHLLOKOSA-N 320.349 -0.628 30 20 DBED C[C@@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)CN2CCCC2)C1 1040766070 MLXJAXIRMKBISB-SWLSCSKDSA-N 308.382 -0.679 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)Cc3ccon3)C2)nc1 1040959120 SCYOZRQVOBKGJI-CHWSQXEVSA-N 313.317 -0.150 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)[C@@H](CC)OCC)C1 1042039704 IAEGIBKEYJHRDW-GFCCVEGCSA-N 314.382 -0.306 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1042806329 DYPJYZHZJRDKQK-OAHLLOKOSA-N 306.362 -0.584 30 20 DBED C[C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1Nc1ccc(C#N)nn1 1043343370 FUSJMYOQASGVCJ-ZYHUDNBSSA-N 312.337 -0.101 30 20 DBED CC(=O)N1CCO[C@@H](C(=O)NC2(C)CCN(CC#N)CC2)C1 1045632764 FQWFOYZBPJURCT-CYBMUJFWSA-N 308.382 -0.272 30 20 DBED C=CCCN1CC[C@@H](N2CCN(C(=O)[C@@H]3CCNC3=O)CC2)C1 1046049680 VHOMIQPCIYJCJM-HUUCEWRRSA-N 320.437 -0.083 30 20 DBED N#Cc1cnc(N[C@H]2C[C@@H](CNC(=O)[C@@H]3COC(=O)N3)C2)cn1 1046369958 QSSXVKDLPYRGGX-NGZCFLSTSA-N 316.321 -0.237 30 20 DBED CC#CCN1CC[C@](C)(NC(=O)c2cn(C)c(=O)nc2O)C1 1046834686 VMSSTLQXXRTUCC-HNNXBMFYSA-N 304.350 -0.297 30 20 DBED C=CCN1CC[C@@H](NC[C@@]2(C)CCN(C(=O)C(N)=O)C2)C1=O 1046903160 OPWIMNOEQJNOCY-IAQYHMDHSA-N 308.382 -0.913 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cc(OCC)n[nH]2)C1 1047425222 GPDKJZKQOMRYSB-STQMWFEESA-N 306.366 -0.051 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCN(C(C)=O)C2)C1 1047450485 YCXOONYIUNXEJY-KKUMJFAQSA-N 307.394 -0.618 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(CCOC)c2)C1 1047612748 OKBMXHYJBVYXRM-KBPBESRZSA-N 308.382 -0.167 30 20 DBED COCCC(=O)N(C)[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1O 1047984461 PBCLAZPQHBEXJL-STQMWFEESA-N 320.349 -0.433 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@]2(C)CNC(=O)C2)C1 1049101359 INPGZRRHWCRYJY-MKBNYLNASA-N 323.393 -0.491 30 20 DBED C=CC(C)(C)C(=O)N(C)[C@H]1CN(C(=O)[C@H]2CCNC2=O)C[C@@H]1O 1049180283 BJASJRXHFKPLED-SRVKXCTJSA-N 323.393 -0.635 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)c2cncn2C)C[C@@H]1O 1049401508 GYQFKFPPOKGMDC-USWWRNFRSA-N 305.338 -0.777 30 20 DBED C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)CN1CC(=O)NC1=O 1049791474 VJHHIBBNSLBSJD-VXGBXAGGSA-N 306.366 -0.211 30 20 DBED CC#CCN1CCC2(CC1)CN(C(=O)CN1CCNC(=O)C1)C2 1050618167 RDQHWKQBVSVCEM-UHFFFAOYSA-N 318.421 -0.634 30 20 DBED C=C(Cl)CN1CCOC[C@@H]1CNC(=O)[C@H]1C[C@H]1C(N)=O 1051116555 KIVOEAKMIDFOMM-AXFHLTTASA-N 301.774 -0.323 30 20 DBED Cc1cc(C(=O)NC[C@H]2COCCN2CC#N)ncc1C(N)=O 1051121941 YHBXBRDUNAQSTC-NSHDSACASA-N 317.349 -0.557 30 20 DBED C=CCN1CCN([C@@H]2CCN(C(=O)[C@@H]3COCCN3C)C2)CC1 1052017828 WITRIKRETWNRAW-CVEARBPZSA-N 322.453 -0.279 30 20 DBED N#CCN1CC2(C1)CN(C(=O)c1ccc(C(N)=O)s1)CCO2 1053470625 BHBKFOKADCMRTR-UHFFFAOYSA-N 320.374 -0.103 30 20 DBED N#CCN1CC2(CC[C@@H](CNC(=O)c3cc(C(N)=O)c[nH]3)O2)C1 1053680172 YQRSZVYCXRXMKM-NSHDSACASA-N 317.349 -0.400 30 20 DBED CNC(=O)CN1CC2(C[C@H](NC(=O)c3ccc(C#N)[nH]3)CO2)C1 1053774348 YGTHHVCNMMRGBV-NSHDSACASA-N 317.349 -0.795 30 20 DBED CN(c1cnc(C#N)cn1)[C@H]1CCN(C(=O)CS(C)(=O)=O)C1 1056854854 JTMVSLDMSMURKD-NSHDSACASA-N 323.378 -0.570 30 20 DBED O=C(NCCN(CCO)C(=O)C#CC1CC1)[C@@H]1C[C@@]12CCOC2 1057535150 KAEYUKSGFRYXHJ-WMLDXEAASA-N 320.389 -0.237 30 20 DBED CC(=O)N1CCC[C@@H]1C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N 1057910848 XBQSLXXXMVLPPH-WCQYABFASA-N 324.381 -0.906 30 20 DBED Cc1c(C(=O)N[C@@H]2CCN(c3nccnc3C#N)C2)nnn1C 1058334742 UKGUAPAFPADJHL-SNVBAGLBSA-N 312.337 -0.206 30 20 DBED Cn1oc(C(=O)N[C@H]2CCN(c3ccnc(C#N)n3)C2)cc1=O 1058336161 PBVFXNWTMZNZDP-VIFPVBQESA-N 314.305 -0.351 30 20 DBED C#CCOCCC(=O)NCCN(CCO)C(=O)[C@@H](F)CC 1058386655 NYXBQHGRYXHYDC-LBPRGKRZSA-N 302.346 -0.289 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)COCC(F)F 1058661381 VCEIIXRVWNGMBQ-VIFPVBQESA-N 307.297 -0.635 30 20 DBED N#Cc1ccc(N[C@H]2CCN(C(=O)[C@H]3CCC(=O)NC3)C2)nn1 1059114526 YXEVMAYCLFPEQT-JQWIXIFHSA-N 314.349 -0.113 30 20 DBED C=CCCC(=O)N1CC[C@@H](CCNC(=O)[C@H]2CNC(=O)N2)C1 1059315401 GZXDKZVCCYUFFB-VXGBXAGGSA-N 308.382 -0.011 30 20 DBED O=C1NCC[C@H]1C(=O)NCC[C@@H]1CCN(C(=O)C#CC2CC2)C1 1059622432 IITSJTHCGVHWDF-KGLIPLIRSA-N 317.389 -0.109 30 20 DBED N#Cc1cncc(N[C@H]2C[C@@H](NC(=O)[C@@H]3CC[C@H]3C(N)=O)C2)n1 1059784182 HELBCGXGKXKYPP-RBLKWDMZSA-N 314.349 -0.081 30 20 DBED N#Cc1cnccc1N1CC[C@@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 1061717627 GFRVBJMIGSUZNE-JQWIXIFHSA-N 314.349 -0.423 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(NC(=O)Cn2cnnn2)CCC1 1062866672 RLZAVKYSHHTUOZ-ZDUSSCGKSA-N 322.369 -0.845 30 20 DBED CCn1cc(C(=O)N[C@H]2[C@H]3C[C@H]2N(c2ccnc(C#N)n2)C3)nn1 1064289434 WQWQCPOBMCNOCM-PXWWUCIGSA-N 324.348 -0.033 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)c2cn(C)c(=O)n2C)CCC1 1064310155 FYKSDFCHYKGJEI-JTQLQIEISA-N 319.365 -0.348 30 20 DBED N#Cc1cncc(NC[C@@H]2CCCN2C(=O)Cn2ncnn2)n1 1064956984 XFJFHNLMVOKDQW-NSHDSACASA-N 313.325 -0.562 30 20 DBED CCOCC(=O)NC[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCO1 1065021714 RSSRRQJTWRVYFB-GFCCVEGCSA-N 320.349 -0.120 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2ncc[nH]2)CCO1 1065122294 SVUJJJVVWSUHTQ-LLVKDONJSA-N 308.338 -0.431 30 20 DBED Cc1nn[nH]c1C(=O)N1CCO[C@@H](CNC(=O)[C@H](C)C#N)C1 1065416711 XSDKGJUGGASPNT-SCZZXKLOSA-N 306.326 -0.770 30 20 DBED C[C@@H]1CN(C(=O)c2cnon2)C[C@@H]1CN=c1cc[nH]c(C#N)n1 1065869343 ZDQSSLLLHVZNFM-ZJUUUORDSA-N 313.321 -0.027 30 20 DBED N#Cc1cccnc1N1C[C@H]2CN(C(=O)Cn3ncnn3)C[C@H]2C1 1066030065 VPSMLBVLXMQZHR-BETUJISGSA-N 324.348 -0.465 30 20 DBED C#CCOCCC(=O)N[C@H]1CCCN(C(=O)c2nc[nH]n2)CC1 1066172627 IEGBOBGESHTEPV-LBPRGKRZSA-N 319.365 -0.045 30 20 DBED N#Cc1nccnc1NC[C@@H]1CN(C(=O)c2cnon2)CCO1 1066639799 LXRVAUMCNKSLHS-SECBINFHSA-N 315.293 -0.316 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)c2cc(C)n(C)n2)CC1 1070944518 ARRRDEGDAYUEMB-UHFFFAOYSA-N 317.393 -0.374 30 20 DBED CC(=O)N(C)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)C#CC2CC2)C1 1071659209 UTWHUXJYVWQLRY-RISCZKNCSA-N 305.378 -0.159 30 20 DBED C#CCCN1C[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)CC[C@@H]1C 1072033832 PLQDBNIZQSAFPU-JSGCOSHPSA-N 319.409 -0.117 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(C(=O)c2cnon2)C[C@@H]1C 1072584266 GELSCRXPWOODSG-CMPLNLGQSA-N 306.322 -0.314 30 20 DBED C#CCCCCC(=O)NCC[C@H](C)NC(=O)Cn1ncnn1 1076210593 XHJPIJXRGKVFPG-LBPRGKRZSA-N 306.370 -0.122 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)c2cnc3[nH]nnc3c2)C1 1077144540 LJBPCYHYFNJOBG-VXGBXAGGSA-N 302.338 -0.296 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2ccnc(N3CCCC3)n2)C1 1077257025 PMLDUAGIPQKNBN-CHWSQXEVSA-N 316.365 -0.625 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2cc(-n3cccn3)ccn2)C1 1077660254 WEHYUZQBGNCYNF-ZIAGYGMSSA-N 312.333 -0.434 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2ccnn2C)C1 1081321154 MCCSTINBJOUZHX-YPMHNXCESA-N 306.366 -0.065 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(C(=O)C2CCOCC2)C[C@@H]1O 1081470912 HELVRFJTKZFRMZ-GJZGRUSLSA-N 320.389 -0.238 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(C(=O)c2ccco2)C[C@H]1O 1081485333 HCXQYSKYXQIWEB-CHWSQXEVSA-N 320.345 -0.131 30 20 DBED O=C(Cc1ncc[nH]1)NC[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1081692103 BSJVOMXQNFNNOR-QWHCGFSZSA-N 316.361 -0.699 30 20 DBED C=CCCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)Cc2nc[nH]n2)C1 1081790135 AGSYDHCTACSQTE-NWDGAFQWSA-N 321.381 -0.361 30 20 DBED C=CCN1C[C@@H](NC(=O)[C@H]2CCS(=O)(=O)C2)[C@H](OC)C1 1081912337 ZOOLNWNHOCAXNW-QJPTWQEYSA-N 302.396 -0.578 30 20 DBED C#CCN1C[C@@H](NC(=O)c2ccc3nnc(O)n3c2)[C@H](OC)C1 1082229996 FGMFFBKCOMZAGB-VXGBXAGGSA-N 315.333 -0.503 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)C[C@@H]2CCCS2(=O)=O)C1 1083670469 BLKSKWPUGMHQOV-TUAOUCFPSA-N 302.396 -0.699 30 20 DBED C#CCCN1CC[C@@H]2CN(C(=O)[C@@H]3CCS(=O)(=O)C3)[C@@H]2C1 1084497366 LVBDGIFBUQLVBP-MGPQQGTHSA-N 310.419 -0.023 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2cccn3nnnc23)[C@H](O)C1 1090295534 ONPMIFKMWFTDID-CHWSQXEVSA-N 314.349 -0.687 30 20 DBED N#CCN1CC[C@H](NC(=O)CN2CCCCCCC2=O)[C@@H](O)C1 1090311740 XSYVGPBFMFAOLY-KBPBESRZSA-N 322.409 -0.146 30 20 DBED COC[C@H](OC)C(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1O 1090528496 UMAKHIRZOSDGGN-MCIONIFRSA-N 320.349 -0.720 30 20 DBED C#CCCN1CC[C@H](NC(=O)Cn2nnnc2C(C)C)[C@H](O)C1 1090634008 SGKWPQPATQHDHB-QWHCGFSZSA-N 320.397 -0.629 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2cn3nccc3nc2C)[C@H](O)C1 1090687955 AXZLEKQKJJFQEZ-ZIAGYGMSSA-N 313.361 -0.164 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)c2cccc(C(N)=O)n2)[C@H](O)C1 1090838185 BWZYATRYTCBBJB-SMDDNHRTSA-N 318.377 -0.078 30 20 DBED CC[C@H](C(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@@H]1O)N(C)C 1091123490 UWAIQWRSGRBSPL-MCIONIFRSA-N 317.393 -0.041 30 20 DBED N#Cc1cncc(N[C@H]2C[C@@H](CNC(=O)CNC(N)=O)C2)n1 1091313619 SSVPHWXOLIIGCV-DTORHVGOSA-N 303.326 -0.677 30 20 DBED COCC(=O)N[C@H]1CCN(c2nc(C)ccc2C#N)C[C@@H]1O 1092127444 YQVJQDRJWBAENM-STQMWFEESA-N 304.350 -0.036 30 20 DBED N#Cc1c[nH]ccc1=NCCNC(=O)CC1CS(=O)(=O)C1 1093963798 VWONJHDRVVIZNG-UHFFFAOYSA-N 308.363 -0.662 30 20 DBED C[C@@H]1C[C@H]1C(=O)NCCC(=O)NCCN=c1cc[nH]c(C#N)n1 1094192780 BCZGIIBWGNYOTI-GHMZBOCLSA-N 316.365 -0.539 30 20 DBED N#Cc1nccnc1NCCNC(=O)CN1CCCNC1=O 1094245126 WJBZANPNRWESNP-UHFFFAOYSA-N 303.326 -0.708 30 20 DBED CC1(C(=O)N[C@H]2CC(=O)N(C3CN(CC#N)C3)C2)CCOCC1 1094794989 DWLDMEHRKMRUBA-LBPRGKRZSA-N 320.393 -0.272 30 20 DBED COCCOCC(=O)NCCCN(C)c1nccnc1C#N 1095507245 LZWPRLHQGSOGNX-UHFFFAOYSA-N 307.354 -0.046 30 20 DBED C#CCCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H]1COCCN1C(C)=O 1096575840 ZRCLTYUWPHSWST-FXUDXRNXSA-N 319.405 -0.022 30 20 DBED N#Cc1cncc(N[C@H](CNC(=O)[C@@H]2CCC(=O)N2)C2CC2)n1 1096700609 YVFJBSZXFYJBGH-NWDGAFQWSA-N 314.349 -0.066 30 20 DBED C[C@H](CNC(=O)CCn1cnnn1)Nc1cncc(C#N)n1 1098011590 WAVPJQDCMBRLMS-SECBINFHSA-N 301.314 -0.658 30 20 DBED C[C@H](CNC(=O)[C@H]1CCS(=O)(=O)C1)Nc1cncc(C#N)n1 1098136524 IGZXOTKRSDJEQO-ZJUUUORDSA-N 323.378 -0.300 30 20 DBED C[C@H](CNC(=O)[C@@H](C)S(C)(=O)=O)Nc1cnc(C#N)cn1 1098390001 IUPMZHQVWPRXGD-RKDXNWHRSA-N 311.367 -0.302 30 20 DBED N#CCN1C[C@@H]2CCC[C@]2(NC(=O)C2CC(=O)NC(=O)C2)C1 1099077423 SAXJAGGMZJSVSK-NHYWBVRUSA-N 304.350 -0.467 30 20 DBED C[C@@H](CCNC(=O)Cn1cncn1)N=c1cc[nH]c(C#N)n1 1099147260 NLKBZUOOORAUHA-JTQLQIEISA-N 300.326 -0.631 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CN(CC#N)CC2(CCOCC2)C1 1099559742 HKHIHBRWUVCSPX-ZDUSSCGKSA-N 308.382 -0.367 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)CC(C)(C)O)[C@@H](O)C1 1099809506 ISTDBLBBWPDFJJ-NEPJUHHUSA-N 313.398 -0.999 30 20 DBED Cn1ncnc1CN1CC[C@H](NC(=O)C#CC2CC2)[C@H](O)C1 1099826726 PAQNXPGZGHMORD-QWHCGFSZSA-N 303.366 -0.720 30 20 DBED C=CC(C)(C)CC(=O)N[C@H]1CCN(CC(=O)NCC#N)C[C@H]1O 1099850006 LFGMVDBMJZNMLB-QWHCGFSZSA-N 322.409 -0.220 30 20 DBED C=C(Cl)CN1CC[C@@H](NC(=O)CCS(C)(=O)=O)[C@H](O)C1 1099892081 HIAWUASGJUZRHT-GHMZBOCLSA-N 324.830 -0.275 30 20 DBED C#CCN1CC[C@@H](NC(=O)CCCCc2cnn[nH]2)[C@H](O)C1 1099933495 PGBXTAYHOVVPSQ-ZIAGYGMSSA-N 305.382 -0.298 30 20 DBED Cc1[nH]nc(C(=O)NCCN(C)c2cncc(C#N)n2)c1O 1100014455 LKSRSTXUNHGWEL-UHFFFAOYSA-N 301.310 -0.048 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CCN2CCCC2=O)[C@@H](O)C1 1100116092 LXYDEASJWSPXJH-KGLIPLIRSA-N 307.394 -0.426 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H]1CCCN1c1ncc(F)cn1 1100830834 VNXPBGXHOCQIFP-GFCCVEGCSA-N 319.340 -0.160 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CN(C(=O)[C@H](C)COC)C[C@]2(C)C1 1101171430 AZDOKVQUMVKSLF-CPUCHLNUSA-N 321.421 -0.201 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CC2(CN(CC(N)=O)C2)n2ccnc21 1101627586 IEOUTOQYXHAEGN-GFCCVEGCSA-N 315.377 -0.400 30 20 DBED COCC(=O)N(C)CCN1CCN(c2nccnc2C#N)CC1 1102414253 SZMSAMKWIWKEDF-UHFFFAOYSA-N 318.381 -0.425 30 20 DBED CN(C(=O)C(C)(C)C(N)=O)[C@@H]1CCN(c2ccnc(C#N)n2)C1 1102740634 TWNUIODHRLVJJR-SNVBAGLBSA-N 316.365 -0.103 30 20 DBED CCN(C(=O)CNC(C)=O)[C@@H]1CCN(c2cncc(C#N)n2)C1 1102771939 XWHJLGLQGHGFTB-CYBMUJFWSA-N 316.365 -0.088 30 20 DBED CC[C@@H](CNC(=O)c1nnn(C)n1)Nc1ccc(C#N)nn1 1103275738 PXRDZLVKACLOSH-QMMMGPOBSA-N 301.314 -0.508 30 20 DBED C[C@H](CNc1ccc(C#N)nn1)N(C)C(=O)[C@@H]1CN(C)C(=O)N1 1104766781 RKJXDENZSIAXEE-KOLCDFICSA-N 317.353 -0.369 30 20 DBED C#CCCNCc1cn(C2CN(C(=O)[C@H]3CCOC3)C2)nn1 1105182092 WRBFXGPQTXPWHV-LBPRGKRZSA-N 303.366 -0.189 30 20 DBED Cn1cc(C(=O)NC[C@H](O)CNc2nccnc2C#N)cn1 1105716121 JLDQMMKMQBQBJM-SNVBAGLBSA-N 301.310 -0.715 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)c2ccc(O)nn2)nn1 1105735324 OTVSJHUOHIZAOQ-SECBINFHSA-N 315.293 -0.953 30 20 DBED CC(=O)N[C@H](C)C(=O)NC[C@@H](O)CNc1ncc(C#N)cc1F 1105735373 PWBKXEVRRSWLAL-KCJUWKMLSA-N 323.328 -0.494 30 20 DBED CNC(=O)NC(=O)CNC[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1C 1105945891 HQULIFXHFXHXRW-GMTAPVOTSA-N 309.370 -0.714 30 20 DBED CO[C@H](C(=O)NC[C@@H](O)CNc1cncc(C#N)n1)C(C)C 1106092634 KCNRSJRCHYPJAB-AAEUAGOBSA-N 307.354 -0.092 30 20 DBED C=CCOCCNC[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1C 1106668194 HHJLMKOQJOJXSM-SYQHCUMBSA-N 309.410 -0.006 30 20 DBED CCN(CCNc1cncc(C#N)n1)C(=O)CN1CCOCC1 1106723597 SEGWSKPIRLVHOE-UHFFFAOYSA-N 318.381 -0.059 30 20 DBED C=C(C)CN1CC(n2cc(CNC(=O)[C@@H](C)NC(C)=O)nn2)C1 1107119998 QZJZIBDUTPTBBE-LLVKDONJSA-N 320.397 -0.148 30 20 DBED C#CCN1CC(n2cc(CNC(=O)CN3CCCC3=O)nn2)C1 1107123000 QBBUBNYTVHNXQZ-UHFFFAOYSA-N 316.365 -0.993 30 20 DBED C=CCN1CC(n2cc(CNC(=O)CCOCCOC)nn2)C1 1107241249 PKOHSABARMMXLK-UHFFFAOYSA-N 323.397 -0.010 30 20 DBED N#Cc1nc(=NC/C=C/CNC(=O)[C@H]2CCCC(=O)N2)cc[nH]1 1107383628 ZUJWTZHOLLJTHI-FMBMQGQPSA-N 314.349 -0.477 30 20 DBED C=CCn1cc(C(=O)NC[C@]2(C)CN(C[C@H](C)O)CCO2)nn1 1108266230 KKWOBTXEQBOXKP-SWLSCSKDSA-N 323.397 -0.334 30 20 DBED CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)CN=c1cc[nH]c(C#N)n1 1108423722 QYXHFQGXRFXVGA-CMPLNLGQSA-N 316.365 -0.302 30 20 DBED CC#CCN1CC(N2C[C@H](NC(=O)CCCC(N)=O)CC2=O)C1 1108595289 LARODDMXVSZRRQ-GFCCVEGCSA-N 320.393 -0.933 30 20 DBED C=CCOCCN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CNC(N)=O)C2 1108615880 FEDKUEYJXWNKLT-XQQFMLRXSA-N 310.398 -0.174 30 20 DBED C[C@@H](CN(C)c1ncc(C#N)cc1F)NC(=O)CNC(N)=O 1108816090 JXDALNFVIXIDEB-QMMMGPOBSA-N 308.317 -0.298 30 20 DBED C[C@@H](CN(C)c1ccnc(C#N)n1)NC(=O)[C@@H](C)CC(N)=O 1109205900 PWXSFVVXSZVZAM-UWVGGRQHSA-N 304.354 -0.199 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1[C@H]2C[C@H]1N(c1nc(C)ns1)C2 1109704445 TVAKOIFDKNBWGK-CWSCBRNRSA-N 319.390 -0.321 30 20 DBED CN1CCO[C@@H](C(=O)NCC2(N=c3cc[nH]cc3C#N)CC2)C1 1110091156 YZUYJTPIALEDKU-CQSZACIVSA-N 315.377 -0.234 30 20 DBED N#Cc1cncc(NC2(CNC(=O)[C@@H]3CCCNC3=O)CC2)n1 1110257240 HUAYTCNIWDUDGK-LLVKDONJSA-N 314.349 -0.065 30 20 DBED CO[C@H](C)C(=O)NC[C@]1(O)CCN(c2ccnc(C#N)n2)C1 1111025867 LLIKVTVFRVRCFP-QMTHXVAHSA-N 305.338 -0.559 30 20 DBED N#Cc1cncc(N2CC[C@@](O)(CNC(=O)[C@@H]3CCCO3)C2)n1 1111032212 VJDZFDJMKHWSFO-SWLSCSKDSA-N 317.349 -0.415 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCN=c1ccc2ncc[nH]c-2n1 1111435861 HILGRDHTIAYWCE-LLVKDONJSA-N 314.349 -0.209 30 20 DBED N#Cc1sc(NCCN(CCO)C(=O)C(N)=O)nc1Cl 1111557802 YTRJRBKCPCRKOT-UHFFFAOYSA-N 317.758 -0.614 30 20 DBED C#CCNC(=O)CC(=O)N1CCN([C@@H](C)c2nc(C)no2)CC1 1112776678 IDWLYIPKWZTXJU-NSHDSACASA-N 319.365 -0.277 30 20 DBED CCN(CCC#N)C(=O)CN1CCN(C(=O)CCN(C)C)CC1 1113297760 MGSZFFLROBBMFB-UHFFFAOYSA-N 323.441 -0.156 30 20 DBED C=CCCC(=O)NC1[C@H]2CN(CC(=O)N3CCOCC3)C[C@H]12 1114004251 GRHSORHSKANOOF-STQMWFEESA-N 307.394 -0.142 30 20 DBED C[C@H](C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21)n1cccc1 1114143814 UOVSVWRDRDKSHG-CXTNEJHOSA-N 315.377 -0.265 30 20 DBED C#CCOCCC(=O)NC1[C@@H]2CN([C@@H]3CCCN(C)C3=O)C[C@@H]12 1114268935 SUKNSGKNVAIDCF-MGPQQGTHSA-N 319.405 -0.307 30 20 DBED CC(=O)NCC(=O)NCC1[C@@H]2CN(c3cncc(C#N)n3)C[C@@H]12 1114503721 SRQFNDVVGJWQID-STQMWFEESA-N 314.349 -0.717 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)CN3CC[C@H](C)C3)[C@@H]2C1 1114832140 MDALRNLYFWXFOY-BFHYXJOUSA-N 320.437 -0.323 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)[C@@H]2C1 1114858435 AMVNNCUMIULZBH-KSTCHIGDSA-N 319.405 -0.098 30 20 DBED C[C@]1(C(=O)N[C@H]2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]32)CCCOC1 1115022609 DSLBYSUGBXXHPO-DMEJVMROSA-N 320.393 -0.511 30 20 DBED C=CCNC(=O)CNC(=O)Nc1ccc(=O)n(CCOC)c1 1116486495 JPVMLWUONMCXFX-UHFFFAOYSA-N 308.338 -0.082 30 20 DBED CN(C)CCOCCNC(=O)C(=O)NCC#Cc1ccccc1 1117009345 YEADYJQITPZOSV-UHFFFAOYSA-N 317.389 -0.151 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCO[C@H](C(F)(F)F)C1 1117396096 MZHBONPFPSMPNC-VIFPVBQESA-N 308.256 -0.458 30 20 DBED C=C(C)CN(C)C(=O)C(=O)N1CCC[C@@H](S(=O)(=O)NC)C1 1118765915 CUOBFVAHNWDBDQ-LLVKDONJSA-N 317.411 -0.439 30 20 DBED C=CCOCC(=O)NC[C@@H](CO)Nc1nc(C)nc(N(C)C)n1 1121324093 JDTVVGQVOBJMKL-NSHDSACASA-N 324.385 -0.662 30 20 DBED Cc1nnc(CC(=O)NC[C@@H](CO)Nc2cncc(C#N)n2)o1 1121431812 DBBSTSOXRXXRPJ-JTQLQIEISA-N 317.309 -0.829 30 20 DBED CO[C@H](C(=O)NC[C@H](CO)Nc1cncc(C#N)n1)C1CC1 1121506593 VJRZCQMJDSQFAM-YPMHNXCESA-N 305.338 -0.338 30 20 DBED N#Cc1cncc(N[C@H](CO)CNC(=O)CCc2cnc[nH]2)n1 1122748439 SGCQDDGBCXHAGO-LBPRGKRZSA-N 315.337 -0.407 30 20 DBED N#Cc1nc(=N[C@@H](CO)CNC(=O)[C@@H](F)C(F)(F)F)cc[nH]1 1122761326 QKPZUIKWQYBFOK-HZGVNTEJSA-N 321.234 -0.440 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H](CO)Nc1ncc(F)cn1 1122768936 FSFCZISDCKGYHC-OLZOCXBDSA-N 321.356 -0.398 30 20 DBED C#CCN1CCC(OC(=O)[C@@]2(OC)CCS(=O)(=O)C2)CC1 1123247620 MILYBVTWIVMBFN-CQSZACIVSA-N 315.391 -0.169 30 20 DBED CCN(CC)CC(=O)N(C)C[C@@H](O)CNc1nccnc1C#N 1124364440 IFHQVKAPAYNLQY-LBPRGKRZSA-N 320.397 -0.079 30 20 DBED CN(C)CCCC(=O)N(C)C[C@H](O)CNc1nccnc1C#N 1124683690 MYRQIJFEFSNZOU-GFCCVEGCSA-N 320.397 -0.079 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)[C@@H]1CCCOC1 1124686190 LHMKCDLHCBTDQN-CYBMUJFWSA-N 310.398 -0.119 30 20 DBED C=CCOCC(=O)NCCNCc1ncnn1CC(F)F 1124764735 BIHVKQVUDQYWIV-UHFFFAOYSA-N 303.313 -0.048 30 20 DBED C#CCO[C@@H](C)C(=O)NCCNCc1nnnn1CCCC 1127052488 YSJNLHAJIFRSFH-LBPRGKRZSA-N 308.386 -0.283 30 20 DBED C=CCNC(=O)CNCCNC(=O)Cn1cccc(C)c1=O 1127181814 RZQMMUUNSGFNDQ-UHFFFAOYSA-N 306.366 -0.835 30 20 DBED C#CCN1CCn2ncc(CNC(=O)[C@H](C)OCCOC)c2C1 1128517379 JEJSQKDAVDMLPF-ZDUSSCGKSA-N 320.393 0.000 30 20 DBED COCC#CCNCCNC(=O)[C@@H]1CC(=O)N(CC(C)C)C1 1128678536 AIMWRHKVZWAART-CQSZACIVSA-N 309.410 -0.154 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)C12CCCN(CCC1)C2 1130173496 GTVZFLIPVVGPFL-CQSZACIVSA-N 320.437 -0.294 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)c1ccn(CCOC)n1 1131159521 CVPCENHGZYPKQQ-GFCCVEGCSA-N 323.397 -0.460 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CC[C@@H](C)N(CC(=O)NCC)C1 1131981211 UZJPKOLRTBFCTB-OLZOCXBDSA-N 322.409 -0.769 30 20 DBED C[C@@H]1CC[C@H](NC(=O)CCNS(C)(=O)=O)CN1CC#N 1132078248 KTAGBEHVPUHGCF-MNOVXSKESA-N 302.400 -0.582 30 20 DBED COc1ccc(CNCCNC(=O)[C@@H]2CCNC2=O)cc1C#N 1132356054 PZEQMBFJMRJNNN-CYBMUJFWSA-N 316.361 -0.091 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)c1c(C)cnn1C 1132548110 BBCXCNAPTJGDPC-UHFFFAOYSA-N 320.397 -0.190 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@H]1CCc2cccnc21 1132978720 LMNOYNCDMGYMDZ-ZDUSSCGKSA-N 300.362 -0.433 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)CCC(=O)NCC 1133904039 BFZUWLBCLXVUQG-OLZOCXBDSA-N 324.425 -0.475 30 20 DBED CCN(CC#CCOC)[C@H](C)CNC(=O)C[C@@H]1CC(=O)NC1=O 1157363911 ABUXPKNWSPJGQO-CHWSQXEVSA-N 323.393 -0.484 30 20 DBED C#CCO[C@H](C)C(=O)NCCCNC[C@H]1CCc2ncnn21 1157874470 PNTIIISPUGPBQG-CHWSQXEVSA-N 305.382 -0.100 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)Cc1cncs1 1160472419 BHSHFFYWQIHPOX-LLVKDONJSA-N 308.407 -0.081 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)[C@]1(C)CCNC1=O 1166546092 WEQDMNFMMFXVMA-NHYWBVRUSA-N 310.398 -0.701 30 20 DBED C=CCNC(=O)CNCCCNC(=O)CC[C@]1(C)CCC(=O)N1 1177614974 LSJNMIQILDVBLE-MRXNPFEDSA-N 324.425 -0.167 30 20 DBED C[C@@H](C#N)C(=O)NCCCCCCNCCN1C(=O)CNC1=O 1178059614 OURFVSIDHYIXEE-LBPRGKRZSA-N 323.397 -0.036 30 20 DBED Cc1nn(CC(=O)NCCCCCCNCC#N)c(=O)n1C 1180178930 LCNJFYQHYAFMMF-UHFFFAOYSA-N 308.386 -0.320 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)CNC(=O)OC)C1 1181279391 IJXQSSNNAJIRDH-WDEREUQCSA-N 312.370 -0.776 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2nnn(C)c2C)C1 1181812481 UCALIVKFKUJBQJ-CMPLNLGQSA-N 320.397 -0.382 30 20 DBED N#CCNC(=O)CN[C@@H]1CCN(C(=O)c2cc3n(n2)CCC3)C1 1183064547 STCICEAEQLOWPO-LLVKDONJSA-N 316.365 -0.727 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)Cn2cncc2C)C1 1184311100 YSEZXNZJZLAISC-ZIAGYGMSSA-N 317.393 -0.480 30 20 DBED N#CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CCO[C@H]2C2CC2)C1 1184453259 FVXTZNMOXOYERV-NFAWXSAZSA-N 320.393 -0.368 30 20 DBED C=CCOCC(=O)N1CCC[C@@H](n2cc(CNCCO)nn2)C1 1185907300 JOGDCPBORAJGJR-CQSZACIVSA-N 323.397 -0.274 30 20 DBED CN(CC(=O)NCC#N)[C@@H]1CCN(C(=O)c2ccnn2C)C1 1189214893 NVYQCDQTJQRTAK-LLVKDONJSA-N 304.354 -0.794 30 20 DBED C[C@@H](OCC1CC1)C(=O)N1CC[C@@H](N(C)CC(=O)NCC#N)C1 1189231939 NQAFRWRZKGCHKV-TZMCWYRMSA-N 322.409 -0.026 30 20 DBED C=CCNC(=O)NC(=O)CN(C)[C@H]1CCN(C(=O)[C@@H](C)C#N)C1 1189390689 TTYXUOJBERNVOI-RYUDHWBXSA-N 321.381 -0.309 30 20 DBED COCC(C)(C)C(=O)N1CC[C@@H](N(C)CC(=O)NCC#N)C1 1191361366 ZVFNYUJWCTUAPP-GFCCVEGCSA-N 310.398 -0.169 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)Cc2cn(C)nc2C)C1 1193812307 ORSHZHDEXXCIEO-HUUCEWRRSA-N 322.409 -0.365 30 20 DBED C#CCN(C)[C@@H]1CCN(C(=O)CCC(=O)N2CCOCC2)C1 1193879870 ZMJCKZDVJGGOHZ-CQSZACIVSA-N 307.394 -0.209 30 20 DBED C=C1CCC(C(=O)N[C@@H]2CN(C[C@H](O)COC)C[C@H]2O)CC1 1195876876 SVEHLYFGGQNHQG-RRFJBIMHSA-N 312.410 -0.099 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)C2(CC)CC2)C1 1195973203 QFGUHXGTKTYWGO-YNEHKIRRSA-N 307.394 -0.524 30 20 DBED C#CCNC(=O)CC(=O)N1CCCO[C@@H](CNCC(=C)C)C1 1200312887 WJYSVOHKHBDARP-AWEZNQCLSA-N 307.394 -0.091 30 20 DBED CC(C)C#CC(=O)N1CCCO[C@H](CNCC(=O)N(C)C)C1 1200462455 MVUGUIHTLLCUTK-CQSZACIVSA-N 309.410 -0.059 30 20 DBED CC#CCNC1CCN(C(=O)CCNS(C)(=O)=O)CC1 1200859629 RMQHICDZAYKCNI-UHFFFAOYSA-N 301.412 -0.470 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)c2nnc(O)nc2O)CCCO1 1200894321 KJHBTLQEIQGJRW-SNVBAGLBSA-N 321.337 -0.873 30 20 DBED N#CCNC[C@@H]1CN(C(=O)c2ccn3nnnc3c2)CCCO1 1201121159 UJOUJOWSZAQDEJ-GFCCVEGCSA-N 315.337 -0.531 30 20 DBED C#CCNC[C@H]1CN(C(=O)c2c(C)ncnc2O)CCCO1 1201226445 XSBFZIMBGBOYOC-LBPRGKRZSA-N 304.350 -0.055 30 20 DBED COCC#CCN[C@H]1C[C@H](NC(=O)Cn2nccn2)C12CCC2 1202961137 VIQXFFYSOUKMGN-KBPBESRZSA-N 317.393 -0.055 30 20 DBED C#CCNC(=O)[C@H](C)NC1CCN(C(=O)c2ncccn2)CC1 1203037150 HTQGDYYAMUKGIX-LBPRGKRZSA-N 315.377 -0.191 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC(CNCCOCCO)CC1 1205265691 RFMNSEGRIWMNFO-CQSZACIVSA-N 312.410 -0.138 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)[C@H](OC)C2CC2)[C@H](C)C1 1206922634 SINREHYYKASBRQ-UXIGCNINSA-N 307.394 -0.403 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)c2cc(C)on2)C1 1207177629 LRLCYUDRKHFGDL-GFCCVEGCSA-N 304.350 -0.073 30 20 DBED C#CCC1(C(=O)N[C@@H]2CN(CC(N)=O)C[C@H]2C)CCOCC1 1207491205 ARYWNIDTORQYJY-CHWSQXEVSA-N 307.394 -0.272 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)[C@@]2(F)CCOC2)[C@H](C)C1 1208404736 AKLWALKDOCNLFG-LALPHHSUSA-N 313.373 -0.146 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2CCCCN2C)C1 1208423477 LJBAGFBQVJMLQU-CABCVRRESA-N 320.437 -0.199 30 20 DBED COCC#CCN1C[C@@H](NC(=O)CN2CCCC2=O)[C@H](OC)C1 1211824748 AZPVKLXFHGDZKF-ZIAGYGMSSA-N 323.393 -0.926 30 20 DBED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)c1cc(C)co1 1213297578 KWBBCXTWLZDYHR-DGCLKSJQSA-N 320.349 -0.343 30 20 DBED COCC#CCN1C[C@@H](NC(=O)Cn2ccnc2)[C@H](OC)C1 1213977642 QXHWIEFIFQPAJT-ZIAGYGMSSA-N 306.366 -0.652 30 20 DBED C#CCCN[C@@H]1CN(C(=O)CCNS(C)(=O)=O)C[C@H]1C 1214763947 NEABBZCQVJWGJG-VXGBXAGGSA-N 301.412 -0.615 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)CCc2cn(C)nn2)C[C@H]1C 1217077405 NESMGVUZBOPGGR-UKRRQHHQSA-N 319.409 -0.166 30 20 DBED C=CCCC(=O)N[C@@H]1CN(Cc2noc(CCOC)n2)C[C@@H]1O 1219344880 ZRRHVJJYRKWIBH-NEPJUHHUSA-N 324.381 -0.114 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(Cc2nnc(CC)o2)C[C@@H]1O 1219362153 RQYNFWADIJORIK-MNOVXSKESA-N 310.354 -0.504 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)CCc2cnc[nH]2)C1 1219774090 DAGMUWYUUPTHBZ-KGLIPLIRSA-N 306.366 -0.847 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@H](C)C(F)(F)F)C1 1220164482 KFCRUPBUTLDMSX-AEJSXWLSSA-N 323.315 -0.352 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)CCNC(=O)c2ccco2)C1 1220928987 QKUZHYUTAGULJD-NEPJUHHUSA-N 307.350 -0.253 30 20 DBED N#CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3cn[nH]c3)[C@@H]2C1 1221301765 YIMTZARKDPUKRF-ZYHUDNBSSA-N 302.338 -0.804 30 20 DBED COCC#CCN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CN(C)CCO1 1225524760 KCULCPOQSMFIPG-BZUAXINKSA-N 323.437 -0.016 30 20 DBED C=C(Cl)CN1CCC(NC(=O)CS(=O)(=O)NC)CC1 1230279740 YOXXZNNCOABFBY-UHFFFAOYSA-N 309.819 -0.131 30 20 DBED C=C(C)CN1CCC(NC(=O)C(=O)N[C@@H](C)C(=O)N(C)C)CC1 1261114500 BBDOHNVDBMNISZ-LBPRGKRZSA-N 324.425 -0.264 30 20 DBED CN(C)C[C@@H](O)CNC(=O)C(=O)Nc1ccc(OCC#N)cc1 1317850582 SHUZXUCAZUYWTQ-LBPRGKRZSA-N 320.349 -0.434 30 20 DBED C#CCN(CC)C(=O)NCCC(=O)N1CCN(C(C)=O)CC1 1318983954 CEMRIYWFDSENOT-UHFFFAOYSA-N 308.382 -0.268 30 20 DBED C#CCOCCNC(=O)C(=O)NCCc1cn2ccccc2n1 1321473873 WGOQEJOIZJJIDW-UHFFFAOYSA-N 314.345 -0.241 30 20 DBED C=CCN(C(=O)CO[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1323525691 JORAJXMSZOKMGS-RYUDHWBXSA-N 303.380 -0.006 30 20 DBED C=CCCOCCNC(=O)C(=O)N1CC[C@H](N2CCCC2=O)C1 1323665608 ZFAXILNRCBCQJD-ZDUSSCGKSA-N 323.393 -0.081 30 20 DBED C#CCOCCNC(=O)C(=O)N[C@@H]1CCN(C(=O)OCC)C1 1324454110 HGYAGINTNIHNDA-LLVKDONJSA-N 311.338 -0.901 30 20 DBED N#CCNC(=O)CNC(=O)N[C@@H]1CS(=O)(=O)c2ccccc21 1325033844 LECMFZCLCXEMBW-SNVBAGLBSA-N 322.346 -0.546 30 20 DBED CCN1C[C@H](C)N(C(=O)C(=O)N2CCO[C@@H](C#N)C2)C[C@@H]1C 1325776136 LMZIFQGOCCKPHW-AVGNSLFASA-N 308.382 -0.322 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCC[C@H](n2ccnn2)C1 1326240388 WBIOBSLHQFUKNU-LBPRGKRZSA-N 305.338 -0.792 30 20 DBED CON1CCC(NC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)CC1 1328333350 VJDADAHZESRTDM-AWEZNQCLSA-N 310.354 -0.995 30 20 DBED C=CCOCCNC(=O)NC1(C(=O)O)CCS(=O)(=O)CC1 1328487666 MLNKHVYVKBROPY-UHFFFAOYSA-N 320.367 -0.480 30 20 DBED CCN1CCN(CCCCNC(=O)NCC(=O)NCC#N)CC1 1329210864 AUPILTJLJUORHV-UHFFFAOYSA-N 324.429 -0.657 30 20 DBED CN(CC1(O)CCCC1)C(=O)C(=O)N1CC[C@](O)(CC#N)C1 1329452537 JQHTYFFVVOZUBF-OAHLLOKOSA-N 309.366 -0.373 30 20 DBED CC1(O)CCN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)CC1 1332006143 HGOFJOWYRYMQKO-CYBMUJFWSA-N 320.393 -0.441 30 20 DBED C=CCn1nnnc1N1CCC(C(=O)NCCN(C)C)CC1 1334447666 HJOWRKXFHSDRJM-UHFFFAOYSA-N 307.402 -0.247 30 20 DBED C=CCNC(=O)Cn1nnnc1N1CCN(C(C)C)C(=O)C1 1335815114 VZAPMAAUVJWJDP-UHFFFAOYSA-N 307.358 -0.968 30 20 DBED C[C@@H](CC#N)NC(=O)C(=O)Nc1cccc(OCC(N)=O)c1 1343336909 QWBJRTHPTPLHGG-VIFPVBQESA-N 304.306 -0.092 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N1CCC(CO)(CO)CC1 1364077821 VJJHPJHMJKYLBT-LLVKDONJSA-N 305.400 -0.611 30 20 DBED C=C(Cl)CNC[C@H](O)CNC(=O)[C@H](OC)c1cnn(C)c1 1367614359 VARHFIKDBFVYMR-NWDGAFQWSA-N 316.789 -0.073 30 20 DBED C=C(Cl)CN1CC(O)(CNC(=O)[C@@H]2CCCS2(=O)=O)C1 1368373823 MEHYOYGSKPPMKU-JTQLQIEISA-N 322.814 -0.521 30 20 DBED CCCN(CCNC(=O)C1(NC(N)=O)CC1)C(=O)[C@@H](C)C#N 1387423229 HTGAMKPXYOBARF-JTQLQIEISA-N 309.370 -0.298 30 20 DBED C=C(Cl)CN[C@@H](C)CNC(=O)c1cn(CC(N)=O)nn1 1390529765 BSGGUKCYEYPQBY-QMMMGPOBSA-N 300.750 -0.776 30 20 DBED C[C@H](NC(=O)Cn1ccccc1=O)C1CN(C(=O)[C@H](C)C#N)C1 1395271219 AYISQIYQZDFOHN-NEPJUHHUSA-N 316.361 -0.029 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CCCCN2C(N)=O)C1 1397220592 CGUVLYNCDRMLJF-BJDJZHNGSA-N 321.381 -0.157 30 20 DBED C[C@@H](CNC(=O)c1c[nH]c(C#N)c1)NC(=O)[C@H]1CCC(=O)N1C 1408120420 VPMDAVHGMHTYES-JOYOIKCWSA-N 317.349 -0.258 30 20 DBED C[C@@H](CN(C)C(=O)[C@@H]1CCC(=O)N1)NC(=O)c1ccc(C#N)[nH]1 1412655038 WHDGTTHLMVSREA-CABZTGNLSA-N 317.349 -0.258 30 20 DBED C[C@H]1CN(C(=O)Cn2cc(C#N)c(O)nc2=O)[C@H](C)CN1C 1412715921 ZTBJQZVBRDZFPL-VHSXEESVSA-N 305.338 -0.628 30 20 DBED CN1CC[C@H]1CNC(=O)CNS(=O)(=O)c1cccc(C#N)c1 1413857967 IKLWLSIVFWYIRS-LBPRGKRZSA-N 322.390 -0.343 30 20 DBED N#C[C@H]1CC[C@@H](NC(=O)NCc2nnc3c(=O)[nH]ccn23)C1 1413871395 WGQGSHYOBXVPDU-DTWKUNHWSA-N 301.310 -0.091 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](C)CCNC(=O)CCN1CCOCC1 1415407557 UXUAZEVVUUWWFH-QWHCGFSZSA-N 310.398 -0.121 30 20 DBED CC(=O)NCC(=O)N1CCC[C@@H]1CNC(=O)c1cc(C#N)c[nH]1 1415789321 SKDIJARAXYLJRM-GFCCVEGCSA-N 317.349 -0.257 30 20 DBED CC(C)C[C@@H](CNC(=O)[C@@H](C)C#N)NC(=O)CS(C)(=O)=O 1416502442 ITCMHDGBSRVTLD-QWRGUYRKSA-N 317.411 -0.162 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(C)(CNC(=O)[C@H]2COC(=O)N2)CC1 1417397174 KJAQPZKRVSBMQS-WDEREUQCSA-N 322.365 -0.001 30 20 DBED CC(C)(C#N)C(=O)N1CC(n2cnc3c(N)nc(N)nc32)C1 1419857588 JRNZLNDGNRQGJZ-UHFFFAOYSA-N 300.326 -0.076 30 20 DBED C[C@@H](CNCC(=O)N1CCOCC1)NC(=O)c1cc(C#N)c[nH]1 1422639105 XVYZIKMQWWHAEF-NSHDSACASA-N 319.365 -0.547 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCNC(=O)[C@@H](C)CN1CCOCC1 1429269501 OTXFUPQWZYPGFG-STQMWFEESA-N 310.398 -0.311 30 20 DBED CN(CCNC(=O)[C@H]1CCCC(=O)N1)C(=O)c1ccc(C#N)[nH]1 1455297237 JFHDBZPBPYJNLT-LLVKDONJSA-N 317.349 -0.257 30 20 DBED CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccc(C#N)nn1 1472737753 WTKUAMHWPRYSAR-JTQLQIEISA-N 309.351 -0.912 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCN([C@@H](C)C(=O)NCC=C)C1 1490539059 KLTYNEDHEWSMKB-UONOGXRCSA-N 307.394 -0.093 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNCc1cc2n(n1)CCCC2 1496955402 PKOMKHQNQUEHIN-RISCZKNCSA-N 305.382 -0.054 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCN1CCN(C(=O)c2cnn[nH]2)CC1 1497857462 KVYMSHUGWUUGKZ-NSHDSACASA-N 319.369 -0.819 30 20 DBED C[C@@H](C#N)C(=O)N1CCCO[C@H](CNC(=O)Cc2cnc[nH]2)C1 1512351817 RDVUIVLUMWRHDW-WCQYABFASA-N 319.365 -0.154 30 20 DBED CC(=O)NCC(=O)NC[C@H]1CCN1C(=O)c1c[nH]c(C#N)c1 1534650306 BLBYTWWKEODEHS-GFCCVEGCSA-N 303.322 -0.647 30 20 DBED C#CCNC(=O)C1CCN(C(=O)[C@@]2(C)C[C@H](N)CCO2)CC1 1574706869 IXRNXXLVNBNGTM-CZUORRHYSA-N 307.394 -0.129 30 20 DBED C[C@@H]1CN(C(=O)CCOCc2cnn[nH]2)C[C@H]1CNCC#N 1576123867 NELNDKMAIPLCNM-VXGBXAGGSA-N 306.370 -0.081 30 20 DBED CC1(C)CNC[C@@H]1C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1576473473 SUNFCWNDYIAUBJ-NOHQBZTLSA-N 306.366 -0.125 30 20 DBED COCC#CCN1CC[C@@H]1CNC(=O)CCOCc1cnn[nH]1 1576951508 AWQILKLBDXGFFZ-CQSZACIVSA-N 321.381 -0.448 30 20 DBED N#Cc1csc(CNC(=O)[C@H]2CCCN(CCN)C2=O)n1 1580081324 CGOVKJNZEFNGKG-SNVBAGLBSA-N 307.379 -0.172 30 20 DBED C=C(CO)C(=O)N1CCN(c2ccc(-c3nn[nH]n3)nc2)CC1 1588444362 YNHHVCSOOWIFHU-UHFFFAOYSA-N 315.337 -0.541 30 20 DBED C=CCOC[C@@H](NC(=O)[C@@]12CCC(=O)N1CCS2)C(=O)O 1588855406 FWHQFWMIGAWVPJ-RNCFNFMXSA-N 314.363 -0.176 30 20 DBED COc1ccc(C=Nn2c(O)nnc2O)cc1-c1nn[nH]n1 1591582457 YLWDGRUSTRJUAH-UHFFFAOYSA-N 302.254 -0.240 30 20 DBED N#CCC(=O)N1CCN(Cc2nc(-c3nn[nH]n3)cs2)CC1 1592672134 XWKCIYCWQDBEDI-UHFFFAOYSA-N 318.366 -0.119 30 20 DBED N#Cc1cc(C(=O)NCCN=c2cc[nH]c(-c3nn[nH]n3)n2)c[nH]1 1592688073 XDZDAZRTBHLPAT-UHFFFAOYSA-N 324.308 -0.880 30 20 DBED CN1C[C@H](C(=O)O)N(S(=O)(=O)c2ccc(C#N)o2)CC1=O 1598565762 IESOTYDDXJENFF-MRVPVSSYSA-N 313.291 -0.933 30 20 DBED N#CC1(CC(=O)NCCC(=O)NCCC(=O)O)CCOCC1 1608176107 PCFUOQRAYUIQRO-UHFFFAOYSA-N 311.338 -0.206 30 20 DBED C#C[C@H]1COCCN1S(=O)(=O)c1ccc(-c2nn[nH]n2)o1 1609020095 RFKDTISQRWUWCH-QMMMGPOBSA-N 309.307 -0.518 30 20 DBED CNS(=O)(=O)C1CCN(S(=O)(=O)N(C)CCC#N)CC1 1645801142 ARTRBCSSBSWPQK-UHFFFAOYSA-N 324.428 -0.910 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)CCCC(=O)N(C)C)C1 1698554236 NSOHRROZBXKFIE-CYBMUJFWSA-N 324.425 -0.262 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2ccnc(OC)n2)C1 1715003740 LCPSSMCLJDHPMP-GFCCVEGCSA-N 304.350 -0.061 30 20 DBED C=CCNC(=O)CN[C@H](CNC(=O)c1cnsn1)C1CC1 1752452793 UWTNEBNBBPQQGV-SNVBAGLBSA-N 309.395 -0.062 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CC[C@H](C1)N2C(=O)c1nc(C)c[nH]1 1752565202 LNPBANPWCIDXDO-BETUJISGSA-N 315.377 -0.244 30 20 DBED C=CCNC(=O)CN[C@H](C)CNC(=O)C(=O)Nc1cc(C)on1 1752918273 XXPIEJDELZHORG-SECBINFHSA-N 323.353 -0.682 30 20 DBED C=CCNC(=O)[C@H](C)NC[C@H]1CCN(C(=O)CNC(=O)CC)C1 1752932733 ROYIFXNYOGCAFH-QWHCGFSZSA-N 324.425 -0.359 30 20 DBED CCCN(CCNC(=O)c1cncn1C)CC(=O)NCC#N 1753145688 QYHFCGLODHJMEI-UHFFFAOYSA-N 306.370 -0.498 30 20 DBED CN(CC(=O)NC[C@H](NCC#N)c1ccccc1)S(C)(=O)=O 1753298790 MLDMMAPIXYTFLT-ZDUSSCGKSA-N 324.406 -0.152 30 20 DBED C=CCCN(C)C[C@H]1CCN(C(=O)CNC(=O)CNC(C)=O)C1 1753351778 ZESFSQUUXCUZBG-CQSZACIVSA-N 324.425 -0.405 30 20 DBED COCC#CCN(C)CCN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)C1 1753863465 YJPMESVPMOYOME-KGLIPLIRSA-N 309.410 -0.072 30 20 DBED CCNC(=O)CC(=O)NC[C@@H](O)CNCc1ccccc1C#N 1753909712 XRSQQYOYRDFCSB-AWEZNQCLSA-N 318.377 -0.349 30 20 DBED C#CCNC[C@@H](O)CNC(=O)c1cc(Br)n[nH]1 1753911765 ALRGUBJKABJGSN-SSDOTTSWSA-N 301.144 -0.514 30 20 DBED Cc1nc(C)c(C(=O)NC/C=C/CNCC(=O)NCC#N)[nH]1 1754184303 ROZPQHMBBBGQKU-ONEGZZNKSA-N 304.354 -0.458 30 20 DBED C#CCNC[C@H]1CCCC[C@@H]1NC(=O)CCS(=O)(=O)NC 1754339172 CTADWFOYJGEVMQ-OLZOCXBDSA-N 315.439 -0.177 30 20 DBED CCc1nc(C(=O)N[C@@H]2[C@H]3C[C@H]2N(CC(=O)NCC#N)C3)co1 1754424475 XLXTUFFYVNUJOF-DRCTWCGVSA-N 317.349 -0.321 30 20 DBED COCC#CCN1CC[C@@](C)(NC(=O)CCc2cn(C)nn2)C1 1754685424 KVBITGIGMDSAST-MRXNPFEDSA-N 319.409 -0.022 30 20 DBED CN(CC#N)CCCN(C)C(=O)Cn1ncn2nccc2c1=O 1755046187 XRLPNLANAHERBC-UHFFFAOYSA-N 317.353 -0.805 30 20 DBED C=CCn1cc(C(=O)NC2(CNCCOC)CCOCC2)nn1 1755097958 AZXRCFKIRKJGFC-UHFFFAOYSA-N 323.397 -0.021 30 20 DBED Cc1noc(C)c1C(=O)N[C@H](C)C1CN(CC(=O)NCC#N)C1 1755370078 HVZNMMNTWPZIOH-SECBINFHSA-N 319.365 -0.019 30 20 DBED Cc1cnn(C)c1C(=O)N[C@H](C)CCCNCC(=O)NCC#N 1755513857 WVFANUUIEHNYQO-GFCCVEGCSA-N 320.397 -0.144 30 20 DBED C[C@H]1C[C@@H](NCC(=O)NCC#N)CN1C(=O)COCC1CC1 1755670236 PZGFXKGAOSTXFB-WCQYABFASA-N 308.382 -0.368 30 20 DBED C#CCCNC[C@@H](O)CN(C)C(=O)[C@]1(C)CCN(C(C)=O)C1 1755791327 KVTSHIUAZGWKQL-GDBMZVCRSA-N 309.410 -0.323 30 20 DBED C#CCCCC(=O)NCC1CC(NC(=O)[C@H]2COC(=O)N2)C1 1755934315 YLMLJCOXFZWUNT-HTAVTVPLSA-N 307.350 -0.091 30 20 DBED C=C(C)CCC(=O)N[C@@H](C)[C@@H](C)NC(=O)CS(=O)(=O)NC 1755969993 DBWUCNZBLGTQKN-WDEREUQCSA-N 319.427 -0.099 30 20 DBED C#CCCCCC(=O)N[C@@H](C)C1CN(C(=O)Cn2cnnn2)C1 1756136107 DTSDWPVWXLDDDQ-LBPRGKRZSA-N 318.381 -0.170 30 20 DBED CC#CCCCC(=O)N[C@H](CO)CNC(=O)[C@@H](C)NC(C)=O 1756504853 HLIJWFZLRDUGGZ-YPMHNXCESA-N 311.382 -0.702 30 20 DBED CCc1ocnc1C(=O)NC[C@H](CO)NC(=O)C#CC1CC1 1756509618 SHOGFPGOECNOPX-LLVKDONJSA-N 305.334 -0.143 30 20 DBED C=C[C@H](CC)CC(=O)N[C@@H]1CN(C(=O)Cn2cncn2)C[C@@H]1O 1757202766 FMVPLIUEHIIXPF-UPJWGTAASA-N 321.381 -0.432 30 20 DBED C[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn[nH]c1)C2 1800986052 UUBXYVIDMDWJNF-KXGXSXBTSA-N 324.406 -0.069 30 20 DBED O=C(O)C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc[nH]n1)C2 1801986551 QCUKCJKMLGTFND-JGPRNRPPSA-N 316.317 -0.251 30 20 DBED C=CCC(=O)N1CC2(CCCN2C(=O)CC[C@@H](N)C(N)=O)C1 1842947632 NHJSZIFWTSIHOR-LLVKDONJSA-N 308.382 -0.641 30 20 DBED C=CCOCCCC(=O)N1CC2(CCCN2C(=O)[C@@H](N)CN)C1 1843348166 OLRYSMVWBAHNOJ-ZDUSSCGKSA-N 324.425 -0.541 30 20 DBED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)c2cccnn2)C1 1844439058 NZPWIQDJTNOCEB-UHFFFAOYSA-N 314.301 -0.618 30 20 DBED C[C@H](S)C(=O)N1CC2(CCCN2C(=O)Cn2nccn2)C1 1845266736 NAQSYYCBUGWVRB-JTQLQIEISA-N 309.395 -0.200 30 20 DBED C#CCNC(=O)COC(=O)c1cccc(S(=O)(=O)NCC)c1 19038251 IFTPPYCFKDZYSA-UHFFFAOYSA-N 324.358 -0.109 30 20 DBED C=CCNC(=O)CN(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 71010963 ISESRZNOFNYZSI-OLZOCXBDSA-N 316.423 -0.043 30 20 DBED CN1CCN(C)[C@@H](CNS(=O)(=O)c2ccc(C#N)nc2)C1 225802341 CAUHDYIVYWUMSW-LBPRGKRZSA-N 309.395 -0.523 30 20 DBED CCOC(=O)C(=O)N1CCN(S(=O)(=O)CCCC#N)CC1 266186792 MDFSFNXCGLVPMY-UHFFFAOYSA-N 317.367 -0.673 30 20 DBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCCO 269098079 NRVLZONBNGHGJN-JTQLQIEISA-N 311.363 -0.276 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@]2(C#N)CC2(C)C)C1=O 291367204 CKJSIOLOILPFSR-AWEZNQCLSA-N 304.306 -0.228 30 20 DBED C#CCNC(=O)CCN1CCN(CC(=O)N[C@H](C)CC)CC1 293636236 XFONWWHYFRSTRD-CQSZACIVSA-N 308.426 -0.342 30 20 DBED C[C@H](N/C(O)=N/CCN1CCCS1(=O)=O)[C@H]1CCOC1 329289617 QFDFUHOOWAWANY-QWRGUYRKSA-N 305.400 -0.050 30 20 DBED N#CCN1CCN(S(=O)(=O)c2cnn3c2OCCC3)CC1 329503532 ARAFMGMMVKDXOF-UHFFFAOYSA-N 311.367 -0.505 30 20 DBED Cn1nnc(C/N=C(/O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)n1 330208220 GOWGZDUSNYWCME-RJVLYZLMSA-N 316.321 -0.526 30 20 DBED CCS(=O)(=O)C1CN(S(=O)(=O)N(C)[C@H](C)CC#N)C1 332070139 UJSBMKYSOGPOEY-SECBINFHSA-N 309.413 -0.416 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)NCCCN2CCCC2)CCO1 336893971 LNTFUXINXPCGAT-GFCCVEGCSA-N 302.400 -0.469 30 20 DBED COCCN(CCC#N)S(=O)(=O)NCCC1(O)CCC1 341097410 WCHOVKPFKTUFJS-UHFFFAOYSA-N 305.400 -0.012 30 20 DBED CN(CCC#N)C(=O)CCN(CCO)CCN1CCOCC1 342603931 CTDKRUPXSYVPSE-UHFFFAOYSA-N 312.414 -0.625 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)CN2CCCC2)CC1 343642603 LVSCUJFLVYPHKJ-AWEZNQCLSA-N 308.426 -0.083 30 20 DBED COc1cc(C#N)ccc1S(=O)(=O)N[C@H]1CC(=O)N(C)C1=O 344810968 AWJVFTMPWHJCBF-VIFPVBQESA-N 323.330 -0.398 30 20 DBED COC(=O)COc1cccc(NC(=O)NCC(=O)NCC#N)c1 348861141 WGBBQJBQZFAUDW-UHFFFAOYSA-N 320.305 0.000 30 20 DBED CCCN(CC(N)=O)CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 429153911 XPFLRNLAMCOAEL-CQSZACIVSA-N 323.441 -0.124 30 20 DBED C=CCN(C(=O)C[C@H]1CNCCO1)[C@@H]1CCS(=O)(=O)C1 430282147 DUZZVPSMUAYHER-NEPJUHHUSA-N 302.396 -0.433 30 20 DBED CC[C@]1(C)NC(=O)N(CC(=O)N[C@](C)(C#N)CN(C)C)C1=O 564088849 DPGKBWAKBZBJRK-KGLIPLIRSA-N 309.370 -0.333 30 20 DBED N#Cc1cnn2cc(CN3CCC[C@H](S(N)(=O)=O)C3)cnc12 582964677 GVASGWCTKSWGEX-LBPRGKRZSA-N 320.378 -0.146 30 20 DBED C=C[C@@H]1OCCC[C@H]1NC(=O)CN1CCN(CC)C(=O)C1=O 584215983 WRXGLOPYOBMMIN-NEPJUHHUSA-N 309.366 -0.473 30 20 DBED N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2cnn[nH]2)cc1 589439556 DLFWYFRFPHSYPA-UHFFFAOYSA-N 320.334 -0.729 30 20 DBED N#C[C@]1(F)CCN(C(=O)CCn2cc(S(N)(=O)=O)cn2)C1 615823623 RNSMZOHQHBYGBV-LLVKDONJSA-N 315.330 -0.615 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)CCc2cnn[nH]2)CC1 630621154 YHLXSZWVEGEOIQ-UHFFFAOYSA-N 306.370 -0.816 30 20 DBED C=CCn1cc(C(=O)N2CCN(C(COC)COC)CC2)nn1 648418019 DYSLVCRZSZEHHB-UHFFFAOYSA-N 323.397 -0.117 30 20 DBED C=CCCOCCNC(=O)C(=O)N(C)C[C@@H]1COCCO1 669276745 OXDWBXFDNQVSTE-GFCCVEGCSA-N 300.355 -0.431 30 20 DBED NC(=O)CNC(=S)NN=Cc1ccccc1N1CCOCC1 731929094 BGMMHOCWCHNZED-UHFFFAOYSA-N 321.406 -0.194 30 20 DBED CNC(=O)CC(=N)NOCC(=O)NCc1ccc(C#N)cc1 748778550 QOLMTRUPDPZYLD-UHFFFAOYSA-N 303.322 -0.191 30 20 DBED C#CCn1c(=C(C#N)C#N)sc(=Cc2ccnn2CC)c1=O 758062728 XHXOYZRLYJRPHE-UHFFFAOYSA-N 309.354 -0.214 30 20 DBED COC(=O)c1cn([C@H]2CCN(CC(=O)NCCC#N)C2)nn1 760871967 XISYZZOVRRMJAM-JTQLQIEISA-N 306.326 -0.659 30 20 DBED N#Cc1cnn(CCOC(=O)c2ccc3nnc(O)n3c2)c1N 770125097 PNKVEVCMNTZDNN-UHFFFAOYSA-N 313.277 -0.058 30 20 DBED COc1cc(C=NNC(=S)NCC(N)=O)ccc1[N+](=O)[O-] 770605980 HBHTXOLOUHIGSB-UHFFFAOYSA-N 311.323 -0.113 30 20 DBED CS(=O)(=O)CC(=O)NS(=O)(=O)c1cccc(F)c1C#N 781597086 DIWVVEYWFGMSTB-UHFFFAOYSA-N 320.323 -0.453 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N(C)CCS(C)(=O)=O 800044727 PKDPGSFFKWNHAI-SNVBAGLBSA-N 311.429 -0.311 30 20 DBED N#Cc1cccc(C(=O)OCC(=O)N2CCCC[C@H]2C(N)=O)n1 811251332 GNCAHUKUIFSXHN-LBPRGKRZSA-N 316.317 -0.024 30 20 DBED C#CCNC(=O)[C@@H](C)OC(=O)c1cn(C2CCOCC2)nn1 811304985 LDOJSNFUQIFROG-SNVBAGLBSA-N 306.322 -0.076 30 20 DBED C#CC1CCN(C(=O)CNS(=O)(=O)c2cn(C)cn2)CC1 814281598 UPTPENADYXWVKW-UHFFFAOYSA-N 310.379 -0.430 30 20 DBED CC(=NNC(=S)NCCN1CCOCC1)c1ccn(C)n1 841607654 WNRJCGCZSWBFSM-UHFFFAOYSA-N 310.427 -0.060 30 20 DBED N#Cc1ccc(C(=O)COC(=O)[C@@H]2CCS(=O)(=O)N2)cc1 845372273 ZKPFWQGUSIUTRG-NSHDSACASA-N 308.315 -0.024 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCN1CCS(=O)(=O)CC1 906402275 AZJNKFFGCRNFJE-STQMWFEESA-N 316.423 -0.186 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2[C@@H]3CCC(=O)[C@H]32)CC1 906553834 BEIPEDOKNAOPOF-BYCMXARLSA-N 303.362 -0.895 30 20 DBED C#CC1(O)CN(S(=O)(=O)c2ccc(C(=O)N(C)C)cc2)C1 908228615 QEBPKSSHDKJYJU-UHFFFAOYSA-N 308.359 -0.243 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[C@@H]3CCC(=O)N3)C2)[nH]1 938374807 LWHYMRNIGKGXED-QWRGUYRKSA-N 315.333 -0.504 30 20 DBED Cc1nn[nH]c1C(=O)N[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 938398982 QGSXJOPNJOWPKN-JTQLQIEISA-N 313.321 -0.043 30 20 DBED COc1nn(C)cc1C(=O)N[C@H]1CCN(C(=O)[C@@H](C)C#N)C1 938404446 NAHGUVTXGNPDDJ-UWVGGRQHSA-N 305.338 -0.081 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)[C@H]3CCNC3=O)C2)[nH]1 940063961 SMHBBGNIGKSJEE-MNOVXSKESA-N 315.333 -0.647 30 20 DBED C#Cc1ccccc1CC(=O)N[C@@H]1CCN(C(=O)CC(N)=O)C1 941931312 ZCSSKEYDPCJKNW-CQSZACIVSA-N 313.357 -0.197 30 20 DBED C[C@@H](C(N)=O)N1CCOC2(CCN(C(=O)C#CC3CC3)CC2)C1 949358317 OMBLPIIEQAKKIZ-ZDUSSCGKSA-N 319.405 -0.033 30 20 DBED C#CCN1CCOC2(CCN(C(=O)[C@@H]3CCCNC3=O)CC2)C1 949389106 SLEWZFLJRYPYDY-CQSZACIVSA-N 319.405 -0.161 30 20 DBED C#CCN1CC(N(CC)C(=O)[C@@H]2CC(=O)N(CCOC)C2)C1 950457317 BSEDVAGVZJRLKZ-CYBMUJFWSA-N 307.394 -0.353 30 20 DBED NC(=O)C(=O)N1CC[C@@H](C2CCN(C(=O)C#CC3CC3)CC2)C1 952287835 FUNZNPZSEMSZKA-CQSZACIVSA-N 317.389 -0.028 30 20 DBED C=CCN1CC[C@@H](N2CCN(C(=O)c3ccn(C)n3)CC2)C1=O 957654837 CNBQDPQULOFMNH-CQSZACIVSA-N 317.393 -0.035 30 20 DBED N#CCN1C[C@H](CNC(=O)c2cnc3nccn3c2)[C@@H](O)C1 958257432 FWJKGOPLFWIWLW-JQWIXIFHSA-N 300.322 -0.725 30 20 DBED N#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cnc(C3CC3)nc2)C1 958462958 JGQOCKHGYOGRBX-QWHCGFSZSA-N 301.350 -0.100 30 20 DBED C#CCN1CCC(C(=O)NC[C@@H]2CN(CCF)C[C@H]2O)CC1 958723897 JZJVQDLCGXQHQM-HUUCEWRRSA-N 311.401 -0.290 30 20 DBED CN(Cc1nc(=O)n(C)[nH]1)C[C@H]1CCCN1C(=O)C#CC1CC1 960628529 WJXDBFDKTYTWTL-CYBMUJFWSA-N 317.393 -0.055 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)C3CCC3)C[C@@H]2O)[nH]1 962329944 VCMARYMYYRETBC-OLZOCXBDSA-N 302.334 -0.012 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CN(C(=O)c3cc[nH]n3)CCO2)C1 965316538 AQDRMVLTZOSMOW-SNVBAGLBSA-N 303.322 -0.377 30 20 DBED C=CCN1CCO[C@]2(CCN(C(=O)CS(C)(=O)=O)C2)C1 972283576 DMLJSBVFBCYHPP-CYBMUJFWSA-N 302.396 -0.480 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)C[C@@H]3COC(=O)C3)C2)C1 972344286 UQMJCTPYOUDPHQ-XJKSGUPXSA-N 306.362 -0.124 30 20 DBED CC#CCN1CCO[C@@]2(CCN(C(=O)c3ncn(C)n3)C2)C1 972372343 XXSHDGODWMQQSH-HNNXBMFYSA-N 303.366 -0.245 30 20 DBED C#Cc1cncc(C(=O)N[C@H]2C[C@H](NC(=O)c3nc[nH]n3)C2)c1 973509722 NAUMABCRTMIROM-HAQNSBGRSA-N 310.317 -0.128 30 20 DBED C=CCn1cc(C(=O)N[C@H]2[C@@H]3CN(C(=O)[C@@H](C)OC)C[C@@H]32)nn1 976530200 JZGWJCNTYLNBIN-DCQANWLSSA-N 319.365 -0.314 30 20 DBED C=CCn1cc(C(=O)NCC2[C@@H]3CN(C[C@@H](C)O)C[C@@H]23)nn1 978816072 KWRVCKOFPORVMK-WXHSDQCUSA-N 305.382 -0.248 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CC[C@@H]3CN(C(=O)C(N)=O)C[C@H]32)c1 979925845 DNMPAFCKDAOGGX-GMTAPVOTSA-N 315.333 -0.662 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCCN([C@H](C)C(=O)NC)CC1 981364963 CXBRSKSBIUMRJJ-CABCVRRESA-N 320.437 -0.247 30 20 DBED C[C@@]12CN(CC#N)C[C@]1(C)CN(C(=O)Cn1c(O)nnc1O)C2 982757356 QQAXZTXATSYPGV-OKILXGFUSA-N 320.353 -0.617 30 20 DBED C#CCN[C@@H]1CCN(C(=O)Cn2nc3ccccn3c2=O)[C@H]1C 986621667 DUSPGOAUSHVSIV-QWHCGFSZSA-N 313.361 -0.292 30 20 DBED C#CCN1CCC(C(=O)NC2CN(C(=O)[C@@H](C)OC)C2)CC1 993855332 OGFTZBNBEFBEJC-GFCCVEGCSA-N 307.394 -0.307 30 20 DBED C#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)C(N)=O)cn1 999880075 SVDKMNCWXNVIDG-AGIUHOORSA-N 312.329 -0.590 30 20 DBED N#Cc1ccc(C(=O)N2CC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)[nH]1 1001795257 DJTNDADLNSNSLJ-ZYHUDNBSSA-N 317.305 -0.260 30 20 DBED C=CCn1cc(C(=O)NCC2CN(C(=O)[C@H](C)OC)C2)nn1 1001961125 QFWNCZDECWHBFP-JTQLQIEISA-N 307.354 -0.313 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)C(N)=O)CC2(C)C)nc1 1008385529 BWXXPXPZCNEVPP-GFCCVEGCSA-N 314.345 -0.485 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@H](CNC(=O)c3cc[n+]([O-])cc3)[C@H]2C1 1008750874 DSMWYSINAJZUNT-ZRJCITRHSA-N 314.345 -0.086 30 20 DBED Cc1nn[nH]c1C(=O)N1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 1011026660 GGLSKFHWHLONJK-UHFFFAOYSA-N 313.321 -0.089 30 20 DBED N#Cc1ccccc1CN1CC[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 1015634338 LPFDLOKBCGVIOK-UONOGXRCSA-N 313.361 -0.070 30 20 DBED C#CCN1CCC2(CC1)C[C@@H]2NC(=O)c1cc(=O)n(C)cn1 1016671742 YNSXRQPCDJEOFT-ZDUSSCGKSA-N 300.362 -0.002 30 20 DBED C[C@H](C#N)C(=O)N1CC=C(CNC(=O)[C@H]2CN(C)C(=O)N2)CC1 1017623623 WTJZSHVGDBJVMV-ZYHUDNBSSA-N 319.365 -0.555 30 20 DBED C[C@@H]1CCN(C(=O)C(N)=O)C[C@@H]1CNC(=O)c1cc(C#N)c[nH]1 1018620840 YSDRYQNIRBGXPM-KOLCDFICSA-N 317.349 -0.414 30 20 DBED C=CCn1cccc1C(=O)N1CCC2(CN(C(=O)C(N)=O)C2)C1 1019359335 SYRNVFCIHZUKKV-UHFFFAOYSA-N 316.361 -0.166 30 20 DBED C[C@@H](C#N)C(=O)N1CCCO[C@H](CNC(=O)c2cncnc2)C1 1019571677 HQXNYIZAVOAECN-WCQYABFASA-N 317.349 -0.016 30 20 DBED C[C@H]1[C@@H](NC(=O)C2CC(=O)NC(=O)C2)CCN1C(=O)[C@H](C)C#N 1020535278 FEAYIFHMDGKPQI-YWVKMMECSA-N 320.349 -0.696 30 20 DBED N#CCN1CC[C@H]2[C@@H](CCCN2C(=O)CN2CC(=O)NC2=O)C1 1021687346 HSCZNKRCDIAGNQ-RYUDHWBXSA-N 319.365 -0.625 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CC2CC2)C[C@H]1O 1024356577 BOTFVLWESGCAGN-QLFBSQMISA-N 319.405 -0.428 30 20 DBED C#CCN[C@@H]1CC[C@@H]2CN(C(=O)CC3CS(=O)(=O)C3)C[C@@H]21 1026297056 GTVORYSKMXJSLV-HZSPNIEDSA-N 310.419 -0.119 30 20 DBED CC#CCN1CC[C@H](CNC(=O)c2nc(O)nc(O)c2OC)C1 1028925286 ARNSQKINPSXFIJ-SNVBAGLBSA-N 320.349 -0.029 30 20 DBED C=CCCN1CC(NC(=O)c2ccc(=O)n(CCOC)n2)C1 1030641754 QKQVTUWMTNZRCG-UHFFFAOYSA-N 306.366 -0.120 30 20 DBED C[C@@H](c1nnnn1C)N1CC(CNC(=O)c2ccc(C#N)[nH]2)C1 1031620791 PAHFHLIBZBCNEN-VIFPVBQESA-N 314.353 -0.167 30 20 DBED N#Cc1ccc(CN2CC(CNC(=O)[C@H]3CNC(=O)N3)C2)s1 1031944845 GSJJHTDJZHPXSU-GFCCVEGCSA-N 319.390 -0.151 30 20 DBED C=CCN1CC[C@H](NCCC2CCN(C(=O)C(N)=O)CC2)C1=O 1034566453 GFVPILVDEQLNCC-ZDUSSCGKSA-N 322.409 -0.523 30 20 DBED N#CCN1CCO[C@@H](CNC(=O)[C@H]2CN3CC4CC3(CO2)C4)C1 1035445221 AYTZMGNXOBKWNE-IOSBVQAASA-N 320.393 -0.810 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)Cc2ccc[nH]2)C1 1039877397 FUSZFVAGZXWTBS-XHDPSFHLSA-N 304.350 -0.204 30 20 DBED Cc1c(C(=O)N2CC[C@@](O)(CNC(=O)[C@H](C)C#N)C2)cnn1C 1040759865 DKTBLQOWYSBPSL-MEBBXXQBSA-N 319.365 -0.419 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)Cn2cccn2)C1 1040764858 ZSUJHSYSLLILGD-FZMZJTMJSA-N 305.338 -0.878 30 20 DBED Cn1nnc(C(=O)N2CC[C@H]3CN(c4ccc(C#N)nc4)C[C@H]32)n1 1040782382 NAPNFWWNFYRRMQ-GXFFZTMASA-N 324.348 -0.172 30 20 DBED C=C(C)CCC(=O)N1CC[C@](O)(CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 1040933390 IKGCUYNMRNDIOG-WQGACYEGSA-N 323.393 -0.456 30 20 DBED C=CCCO[C@H](C)C(=O)NCC1(O)CN(C(=O)[C@@H](C)OC)C1 1041874117 OUXUALGGJWFWAV-VXGBXAGGSA-N 314.382 -0.308 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)CO[C@@H]2CCOC2)C1 1041959826 BDDFUBJQJYQXIM-GFCCVEGCSA-N 312.366 -0.552 30 20 DBED C#CCCCCC(=O)NCC1(O)CN(C(=O)c2cc[nH]n2)C1 1042658371 FNNGPGHNRUTDSB-UHFFFAOYSA-N 304.350 -0.094 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)Cc2ccn(C)n2)C1 1042936892 TXJMMWPSZLXFTI-UHFFFAOYSA-N 318.377 -0.689 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)[C@H]2CN3CCC2CC3)C1 1043180623 RAYRNRWBFGULBI-YPMHNXCESA-N 320.393 -0.823 30 20 DBED CCOCC1(C(=O)NCC2(O)CN(C(=O)[C@H](C)C#N)C2)CC1 1043610755 HYSRSBINCPSOHY-LLVKDONJSA-N 309.366 -0.348 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)[C@H]2CO[C@H](C)C2)C1 1043626487 QXYZWAAYPUZKNS-CHWSQXEVSA-N 308.378 -0.240 30 20 DBED N#Cc1nccc(N2C[C@H](O)[C@H](NC(=O)Cc3cccnc3)C2)n1 1043910329 GYUKRRVREYLAOC-OLZOCXBDSA-N 324.344 -0.348 30 20 DBED Cc1cncn1CC(=O)NCC1(O)CN(C(=O)[C@H](C)C#N)C1 1043913170 UJDKVULIJSYFBF-SNVBAGLBSA-N 305.338 -0.959 30 20 DBED CC(C)[C@H](F)C(=O)NCC1(O)CN(C(=O)CSCC#N)C1 1044958408 NOZCHOKPTSRGDU-NSHDSACASA-N 317.386 -0.073 30 20 DBED CC#CCCCC(=O)NCC1(O)CN(C(=O)Cc2nc[nH]n2)C1 1044994376 QRQYBEBHESYFPB-UHFFFAOYSA-N 319.365 -0.770 30 20 DBED C=C(C)C[C@@H](C)C(=O)NCC1(O)CN(C(=O)[C@H]2CCC(=O)N2)C1 1045054769 FSXKICBKSCDDTA-VXGBXAGGSA-N 323.393 -0.443 30 20 DBED C#CCN1CCC2(CC1)CO[C@@H](CNC(=O)[C@H]1COC(=O)N1)C2 1045669851 JMXMPGIBZNQGCQ-CHWSQXEVSA-N 321.377 -0.285 30 20 DBED N#CCN1CCC2(CC1)CO[C@H](CNC(=O)c1cnn[nH]1)C2 1045674933 INAABHYATXKBEV-NSHDSACASA-N 304.354 -0.071 30 20 DBED C#CCN1CC[C@H](N2CCN(C(=O)[C@H]3CN(C)CCO3)CC2)C1 1046014536 ZBXJRMZDRFRYTL-JKSUJKDBSA-N 320.437 -0.831 30 20 DBED Cn1cnn(CC(=O)N[C@@H]2C[C@H]3C[C@@H](C2)N(CC#N)C3)c1=O 1047097742 YGRDORHAJYOCAY-TUAOUCFPSA-N 304.354 -0.926 30 20 DBED Cc1ncc2n1CC[C@@H](C(=O)N(C)[C@H]1CN(CC#N)C[C@@H]1O)C2 1047527264 AEJGEGGTUDZPON-SNPRPXQTSA-N 317.393 -0.219 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CCCCC(=O)N2)C1 1047609515 HTDJDSMPJRRVEA-ILXRZTDVSA-N 321.421 -0.038 30 20 DBED C=CC(C)(C)C(=O)N(C)[C@H]1CN(C(=O)c2cnn(C)n2)C[C@@H]1O 1049171340 CBNADTWAWZLNFM-RYUDHWBXSA-N 321.381 -0.329 30 20 DBED Cn1cnc(C(=O)N2CCC[C@H]3[C@H]2CCN3CC#N)cc1=O 1049530698 ZEZCQBBHQBWVGQ-QWHCGFSZSA-N 301.350 -0.017 30 20 DBED C[C@@H]1[C@@H](NC(=O)c2cnn(C)n2)CCN1c1cncc(C#N)n1 1050426181 BGTUQPOJPGNXAE-KOLCDFICSA-N 312.337 -0.126 30 20 DBED C=CCN1CCN([C@H]2CCN(C(=O)[C@@H]3CCNC(=O)C3)C2)CC1 1052011398 SEPPJQMGECNKKJ-CABCVRRESA-N 320.437 -0.083 30 20 DBED N#CCN1CC[C@@]2(CCCN(C(=O)C3CC(=O)NC(=O)C3)C2)C1 1054213863 MALVUHRQAIGSPP-INIZCTEOSA-N 318.377 -0.123 30 20 DBED CS(=O)(=O)CC(=O)N1CCN(c2ccnc(C#N)n2)CC1 1055732758 BJQBDZLPYVBPQG-UHFFFAOYSA-N 309.351 -0.959 30 20 DBED COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCN(c2nccnc2C#N)CC1 1055735083 JAZWZXKILGWNKV-WDEREUQCSA-N 315.333 -0.194 30 20 DBED Cc1nnc(CC(=O)N2CCN(c3ccnc(C#N)n3)CC2)o1 1055786481 JFGSEWGKRLEPJT-UHFFFAOYSA-N 313.321 -0.069 30 20 DBED N#Cc1cnc(N2CCN(C(=O)C3CS(=O)(=O)C3)CC2)cn1 1055914059 LIGXXOXOSDYFPH-UHFFFAOYSA-N 321.362 -0.959 30 20 DBED C#CCCCC(=O)N1CCC[C@@](CO)(NC(=O)c2cnn[nH]2)C1 1056006042 XWLYLWWSUHPTRA-OAHLLOKOSA-N 319.365 -0.309 30 20 DBED Cn1cnc(C(=O)N[C@H]2[C@@H]3CN(c4ccnc(C#N)n4)C[C@@H]32)n1 1056200792 GZRYDNGOZLRKNS-GDGBQDQQSA-N 310.321 -0.659 30 20 DBED N#Cc1nccnc1N1C[C@H]2C(NC(=O)c3cncnc3O)[C@@H]2C1 1056330373 OXCQWTIFFJBFAI-NXEZZACHSA-N 323.316 -0.292 30 20 DBED N#Cc1cnccc1N1C[C@H]2[C@H](NC(=O)[C@@H]3CCNC3=O)[C@H]2C1 1056354860 AICYXGXZLIOSAT-NMKXLXIOSA-N 311.345 -0.360 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)C[C@@H]1CCC(=O)N1 1057170929 HJFVSSNSLKUCCY-LBPRGKRZSA-N 311.382 -0.442 30 20 DBED COC(=O)[C@H]1C[C@@H]1C(=O)N(CCO)CCNC(=O)C#CC(C)C 1057177472 FWZIZWYTPJMYJO-STQMWFEESA-N 324.377 -0.608 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)[C@@H](CC)N(C)C 1057194091 XZUUNJGLGLZKKT-CYBMUJFWSA-N 315.414 -0.534 30 20 DBED C=C(C)C(C)(C)C(=O)NCCN(CCO)C(=O)Cn1ncnn1 1057674993 GJGCVMBFNWOSEY-UHFFFAOYSA-N 324.385 -0.788 30 20 DBED C=CC(C)(C)CC(=O)N(CCO)CCNC(=O)CC(=O)NC 1057694618 LOWHMMCFQCCZRN-UHFFFAOYSA-N 313.398 -0.338 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)c1ncccn1 1058520722 SQMZUQMGQYOVQN-UHFFFAOYSA-N 304.350 -0.169 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)c1ccc(=O)n(C)c1 1058652846 GNSVPLMNNUOVFT-NSHDSACASA-N 320.349 -0.904 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)C(C)(C)N1CCCC1 1058660600 DHEMNZHZJYPGKD-CYBMUJFWSA-N 324.425 -0.042 30 20 DBED CN(C)CCC(=O)N(CCO)CCNC(=O)c1c[nH]c(C#N)c1 1058707638 HIRMQCGNMHRMGB-UHFFFAOYSA-N 321.381 -0.611 30 20 DBED N#Cc1ccc(N[C@H]2CCN(C(=O)C3(C(N)=O)CC3)C2)nn1 1059039841 ZITKBOSQANNAHU-JTQLQIEISA-N 300.322 -0.373 30 20 DBED C[C@]1(C(=O)N2CC[C@H](Nc3cncc(C#N)n3)C2)CCNC1=O 1059063052 MLQOZPHQWXNXGO-BONVTDFDSA-N 314.349 -0.113 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](CCNC(=O)Cn2cnnn2)C1 1060288520 ANTFBJNTMDEAKP-WDEREUQCSA-N 305.342 -0.812 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)Cc1cc[nH]n1 1061458911 TXAVPVYXWJIXSC-CMPLNLGQSA-N 305.338 -0.545 30 20 DBED CC(C)(O)CC(=O)N1CCOC[C@@H]1CNC(=O)C#CC1CC1 1061570156 UWOXJALVYCKPKP-ZDUSSCGKSA-N 308.378 -0.096 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)CSCC#N 1061845698 KQAINKICNPYGSJ-WDEREUQCSA-N 310.379 -0.254 30 20 DBED Cc1ccnn1CC(=O)N1CCO[C@H](CNC(=O)[C@H](C)C#N)C1 1065162134 VHYUGLQKQJTRML-DGCLKSJQSA-N 319.365 -0.305 30 20 DBED N#Cc1cccnc1NC[C@@H]1CN(C(=O)CC(N)=O)CCO1 1066606944 IWJXMJPGMWILQN-LLVKDONJSA-N 303.322 -0.532 30 20 DBED C[C@H]1CN(C(=O)Cc2nc[nH]n2)C[C@H]1Nc1ccc(C#N)nn1 1067144524 KPDFSFCRWYZCGW-GXSJLCMTSA-N 312.337 -0.032 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCCN(C)C(=O)C(=O)NCC(F)F 1067723643 RBJOBXAKCFMIES-VIFPVBQESA-N 318.324 -0.166 30 20 DBED C=CCCOCC(=O)N1CCOC2(C1)CN(C(=O)COC)C2 1068407118 RQHLVJUOQHJXLT-UHFFFAOYSA-N 312.366 -0.335 30 20 DBED C[C@H]1C[C@@H](Nc2ccc(C#N)nn2)CN1C(=O)Cn1cnnn1 1069005846 JHHOXNNAFHOFCV-GXSJLCMTSA-N 313.325 -0.564 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2cncc(C#C)c2)C[C@@H]1n1ccnn1 1070270397 JQQDSQJERZUYAE-CVEARBPZSA-N 320.356 -0.057 30 20 DBED N#CCN1C[C@H]2C[C@H]3CN(C(=O)Cc4cnc[nH]4)C[C@@]3(C1)O2 1070861754 AVCWFYLFPIXJKQ-NJZAAPMLSA-N 301.350 -0.223 30 20 DBED CN1CC[C@@H](CC(=O)N2CCC(=O)NCCN(CC#N)CC2)C1 1071015875 XXTBOOIOLCSJCE-AWEZNQCLSA-N 321.425 -0.498 30 20 DBED C[C@@H]1CN(C(=O)Cn2cnnc2O)C[C@]2(CCN(CC#N)C2)O1 1071149042 FVADNARNDUGREV-BXUZGUMPSA-N 320.353 -0.801 30 20 DBED CCNC(=O)CC(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1C 1072048998 PZAYRIKXIMYOMS-WCQYABFASA-N 305.378 -0.111 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(C(=O)c2cnn[nH]2)C[C@@H]1C 1073820593 UTMSZMUIGGIQQA-QWRGUYRKSA-N 307.354 -0.026 30 20 DBED COCC(=O)N1CCC(c2nnc3n2CCN(CC#N)C3)CC1 1074105829 JMXXYVUQFUCRKK-UHFFFAOYSA-N 318.381 -0.030 30 20 DBED C=CCN1CCO[C@H]2CCN(C(=O)CN3CCOCC3)C[C@H]21 1074219863 XDCWNMJTWAJQGD-CABCVRRESA-N 309.410 -0.194 30 20 DBED C=CCCC(=O)N1CCC(O)(CNC(=O)[C@@H]2CCC(=O)N2)CC1 1074510575 JNCCHLFQRSXKAF-LBPRGKRZSA-N 323.393 -0.299 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H](C)CCNC(=O)Cn1cnnn1 1075563283 CJRCGJFVOYKRSK-QWRGUYRKSA-N 310.358 -0.725 30 20 DBED C#CCO[C@@H](C)C(=O)NCC[C@H](C)NC(=O)c1nccnc1N 1076510096 COEYRHLFSKLLPN-QWRGUYRKSA-N 319.365 -0.278 30 20 DBED CCC(CC)N1C[C@@H](C(=O)N[C@@H]2CN(CC#N)C[C@H]2O)CC1=O 1077083657 CGURMCIEFGWQCP-IACUBPJLSA-N 322.409 -0.292 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2ccc3c(c2)NC(=O)CO3)C1 1077171451 BVUWIAYYJUXPRV-VXGBXAGGSA-N 316.317 -0.684 30 20 DBED C[C@@H](CCNC(=O)c1cnn(C)n1)NC(=O)c1ccc(C#N)[nH]1 1077384207 OZEJPXDZZRQKLZ-VIFPVBQESA-N 315.337 -0.047 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)c2c(C)c(C)nn(C)c2=O)C1 1077487682 FNVXCACPUCGSID-CHWSQXEVSA-N 318.377 -0.805 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CN(C(C)C)CCO2)C1 1077567015 XCRDYWVELBEUPW-RBSFLKMASA-N 311.426 -0.167 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)c1conc1C 1078125872 CXZPELSGSAIGCB-JTQLQIEISA-N 320.349 -0.253 30 20 DBED CNS(=O)(=O)CCC(=O)N[C@@H](C)CCNC(=O)[C@@H](C)C#N 1078138044 PRGQBOIAIOAWKJ-UWVGGRQHSA-N 318.399 -0.904 30 20 DBED C#Cc1ccc(C(=O)N2C[C@H](CNC(=O)C(F)F)[C@@H](O)C2)nc1 1081151838 DHLONLPXSVZTDZ-JQWIXIFHSA-N 323.299 -0.123 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cccnc2)C1 1081191560 IWKXMNGVNSSTIO-KGLIPLIRSA-N 319.361 -0.167 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)c2cnon2)C[C@@H]1O 1081462945 HXFDMXKVCYNICY-PWSUYJOCSA-N 306.322 -0.722 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)C23CCN(CC2)C3)C1 1081618790 VPWMISMVVABXDB-ZIAGYGMSSA-N 321.421 -0.016 30 20 DBED C=CC(C)(C)C(=O)NC[C@H]1CN(C(=O)c2[nH]nnc2C)C[C@H]1O 1081644491 BHHFKBPUIPNXHH-WDEREUQCSA-N 321.381 -0.126 30 20 DBED C=C(C)CCC(=O)N1C[C@H](O)[C@H](CNC(=O)Cn2cncn2)C1 1081789291 WMTIJBGWFQQQJV-OLZOCXBDSA-N 321.381 -0.430 30 20 DBED C#CCN1C[C@@H](NC(=O)Cc2cc(CC)nn2C)[C@H](OC)C1 1081970541 NEOROXVGHHHJGR-HUUCEWRRSA-N 304.394 -0.026 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H]2CN(CC(=O)N3CCC3)C[C@@H]21 1083025751 AEASFYZRGFFLFK-FRRDWIJNSA-N 306.366 -0.710 30 20 DBED C=C(C)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)Cn1cnnc1O 1083057072 QMLSEKJZFJGHBC-NWDGAFQWSA-N 307.354 -0.529 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cc(C(N)=O)cn1C 1083131552 AKTQLPAVYVBJRZ-UONOGXRCSA-N 316.361 -0.718 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)C1 1083483786 IJRTWEXZNOHMDC-KFWWJZLASA-N 319.405 -0.571 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)c2sccc2-n2cnnn2)C1 1083600969 WRBTXYRXVRRXLP-KOLCDFICSA-N 320.378 -0.315 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)c2cn([C@@H]3CCOC3)nn2)C1 1083930168 YSSRWKDRAPKKBS-BZPMIXESSA-N 321.381 -0.410 30 20 DBED COc1c(O)nc(O)nc1C(=O)NC[C@H]1C[C@@H](NCC#N)C1 1086252578 SGTCYALSEJXAET-OCAPTIKFSA-N 307.310 -0.482 30 20 DBED CC#CCN1C[C@H]2CC[C@H]1[C@@H]1CN(C(=O)Cn3cnnn3)C[C@@H]21 1087335818 QNBDXFLNEBTIOW-BARDWOONSA-N 314.393 -0.135 30 20 DBED CC[C@@H]1[C@@H](NC(=O)c2cnc(O)n(C)c2=O)CCN1CC#N 1087683004 DCAPIKZAENRPEF-WDEREUQCSA-N 305.338 -0.408 30 20 DBED Cc1nn(CC(=O)N2C[C@H]3CCN(CC#N)C[C@H]3C2)c(=O)n1C 1088187663 KMTVNDJCIHXMMF-OLZOCXBDSA-N 318.381 -0.806 30 20 DBED N#Cc1ccc(N2CC=C(CCNC(=O)C(N)=O)CC2)nn1 1089861607 BKUYMRHDQIYLFH-UHFFFAOYSA-N 300.322 -0.524 30 20 DBED Cn1nc2c(c1C(=O)N[C@@H]1CCN(CC#N)C[C@@H]1O)CCCC2 1090296607 BNLNBQHWBOIKPS-KGLIPLIRSA-N 317.393 -0.013 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2cccc3ncnn23)[C@@H](O)C1 1090401029 ZPXCILPNOQCYSB-OCCSQVGLSA-N 313.361 -0.082 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2ccn(CCOC)n2)[C@@H](O)C1 1090424034 VVUYXCDBNOIKJJ-ZFWWWQNUSA-N 320.393 -0.282 30 20 DBED COCc1ncc(C(=O)N[C@H]2CCN(CC#N)C[C@H]2O)s1 1090842377 ZEJVJIQHJJNLGS-VHSXEESVSA-N 310.379 -0.022 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(c2cc(C)nc(OC)n2)C[C@@H]1O 1091081755 JHMUMZBOYCHFDB-NEPJUHHUSA-N 322.365 -0.338 30 20 DBED N#Cc1nccnc1N[C@H]1C[C@@H](CNC(=O)C2(C(N)=O)CC2)C1 1091395943 ZRIFYEKEXQVSSN-AOOOYVTPSA-N 314.349 -0.080 30 20 DBED C#CCCN1C[C@@H]2CN(C(=O)CCn3cnnn3)C[C@]2(C)C1 1092130381 VBXDGLHJICALEK-HIFRSBDPSA-N 302.382 -0.133 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCN(c2ncccn2)C[C@H]1O 1092164541 NIOAWZABZJOMNY-CHWSQXEVSA-N 304.350 -0.428 30 20 DBED N#Cc1cnc(N2C[C@@H]3CCC[C@]3(NC(=O)CC(N)=O)C2)cn1 1093073535 INYDGFAFZBGBQP-BONVTDFDSA-N 314.349 -0.301 30 20 DBED N#Cc1ccc(NCCNC(=O)CCN2CCCC2=O)nn1 1093660721 CUUDRXPVRZMXII-UHFFFAOYSA-N 302.338 -0.111 30 20 DBED Cc1cc(=NCCCNC(=O)[C@H]2CCC(=O)N2)c(C#N)c[nH]1 1094337652 NTCVVORDTIOPCB-GFCCVEGCSA-N 301.350 -0.120 30 20 DBED C#CCN1CC(n2cc(CNC(=O)[C@@H]3CCN(C)C3)nn2)C1 1094338500 IKMMCGPSJHPXFA-GFCCVEGCSA-N 302.382 -0.664 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)c3cnns3)CC2=O)C1 1094712650 XZMGRRCSQAZETB-SECBINFHSA-N 305.363 -0.814 30 20 DBED CNC(=O)NCC(=O)N1CC[C@@H](Nc2nc(C)cc(C#N)n2)C1 1095084752 ALRRQERAAPUBHT-SNVBAGLBSA-N 317.353 -0.402 30 20 DBED CNC(=O)NCC(=O)N1CCCN(c2ccc(C#N)nc2)CC1 1095208681 PZPWDAWEJJQSHV-UHFFFAOYSA-N 316.365 -0.079 30 20 DBED CNC(=O)C1(C(=O)N[C@H]2C[C@H](Nc3nccnc3C#N)C2)CC1 1097044384 MSJVUDLXMRRJDL-MGCOHNPYSA-N 314.349 -0.066 30 20 DBED CC[C@H](C)C(=O)NCC(=O)NC[C@@H](C)N=c1cc[nH]c(C#N)n1 1097863665 NYFOFBKVUGMCDN-WDEREUQCSA-N 318.381 -0.151 30 20 DBED C=CCN(CCO)C1CCN(C(=O)C2CN(C(C)=O)C2)CC1 1098356650 NMVSFZFBKQQCAQ-UHFFFAOYSA-N 309.410 -0.064 30 20 DBED C[C@@H](CCNC(=O)C(C)(C)C(N)=O)N=c1cc[nH]c(C#N)n1 1099563942 BMLMTIOGNALQJZ-VIFPVBQESA-N 304.354 -0.412 30 20 DBED C[C@@H](CCNC(=O)[C@H]1CCCNC1=O)N=c1cc[nH]c(C#N)n1 1099580585 WYZFSYFNIVHPMZ-QWRGUYRKSA-N 316.365 -0.397 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2cccnc2)[C@@H](O)C1 1099622690 BVNAFABDCXOPRR-CABCVRRESA-N 303.362 -0.104 30 20 DBED C=C(Cl)CN1CC[C@@H](NC(=O)COCCOC)[C@@H](O)C1 1099735338 DAKFMFYTGPNKPJ-NEPJUHHUSA-N 306.790 -0.047 30 20 DBED C#CCOCCC(=O)N[C@H]1CCN(Cc2ncccn2)C[C@H]1O 1099832410 HAGBNVQMGCGHET-UONOGXRCSA-N 318.377 -0.432 30 20 DBED C#CCN1CC[C@@H](NC(=O)CCNC(=O)C(C)(C)C)[C@@H](O)C1 1099942168 NJUUJAKBCJKDKX-OLZOCXBDSA-N 309.410 -0.277 30 20 DBED C=CCCCN1CC[C@H](NC(=O)CCn2cnnn2)[C@H](O)C1 1100046431 LSSQADUHSQLXKS-QWHCGFSZSA-N 308.386 -0.419 30 20 DBED CN(CCNC(=O)CN1C(=O)CCC1=O)c1ccncc1C#N 1100106855 FUWSSBSLHYQEJL-UHFFFAOYSA-N 315.333 -0.345 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CS(=O)(=O)CCC)[C@@H](O)C1 1100114974 XETOSVVVYVMVCT-OLZOCXBDSA-N 316.423 -0.614 30 20 DBED N#CCNC(=O)CNC1CC(CNC(=O)CC2=CCOCC2)C1 1100647267 LGMZODLLOSOWLQ-UHFFFAOYSA-N 320.393 -0.153 30 20 DBED N#Cc1cncc(N2CC[C@@H](CNC(=O)CCCC(N)=O)C2)n1 1100988882 YVTZTMMFPLDPTA-NSHDSACASA-N 316.365 -0.054 30 20 DBED CCOCCC(=O)NC[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1101801774 NAIQMNYCRIGSRW-CHWSQXEVSA-N 310.398 -0.263 30 20 DBED CN(CCNc1nccnc1C#N)C(=O)c1cnc(O)n1C 1101903071 OXBZVLNWNQPKQL-UHFFFAOYSA-N 301.310 -0.029 30 20 DBED Cc1nc(NCCN(C)C(=O)[C@H]2CNC(=O)N2)ccc1C#N 1101921613 YLCOBEXZNYBWPT-LLVKDONJSA-N 302.338 -0.187 30 20 DBED CN(CCN=c1cc[nH]cc1C#N)C(=O)c1cc(=O)n(C)cn1 1102030699 YPCNKBNYTPOIBA-UHFFFAOYSA-N 312.333 -0.347 30 20 DBED CC(C)N(CCCNC(=O)CC(N)=O)c1ccc(C#N)nn1 1102086394 CIDVBAMVXOIRIT-UHFFFAOYSA-N 304.354 -0.055 30 20 DBED CC(=O)N[C@@H](C)C(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(C#N)cn1 1102538136 LVJCMTNMGWGQFY-XDTLVQLUSA-N 314.349 -0.338 30 20 DBED COC(=O)NCC(=O)N(C)[C@H]1CCN(c2cncc(C#N)n2)C1 1102672289 ZMEUVZGUUHOPLD-NSHDSACASA-N 318.337 -0.259 30 20 DBED C[C@@H](CNC(=O)Cn1cnnn1)CNc1ccc(C#N)nc1 1103851561 JXUSGJPOCBERKU-SNVBAGLBSA-N 300.326 -0.196 30 20 DBED CCn1ncc(C(=O)NC[C@H](C)CN=c2cc[nH]c(C#N)n2)n1 1103929247 STLWEESCMWIIGM-SNVBAGLBSA-N 314.353 -0.140 30 20 DBED CC(=O)N[C@@H](C)C(=O)N(C)[C@@H](C)CN=c1cc[nH]c(C#N)n1 1104478076 VQNWRXGDCUSJJT-UWVGGRQHSA-N 304.354 -0.446 30 20 DBED C=C(C)CNCc1cn(C2CN(C(=O)[C@H](C)NC(C)=O)C2)nn1 1105146440 DXSKTLVCLWTDKP-NSHDSACASA-N 320.397 -0.148 30 20 DBED Cn1nccc1C(=O)NC[C@@H](O)CNc1ccc(C#N)cn1 1105780093 OMXCEODLXLRSMV-NSHDSACASA-N 300.322 -0.110 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H](O)CNC(=O)c1cnnc(O)c1 1105992848 AZCKJAYLGGHQDL-NSHDSACASA-N 314.305 -0.926 30 20 DBED C[C@@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)c1cnn(C)c1N 1106296224 LDCNINXUUPBRHI-VIFPVBQESA-N 314.353 -0.294 30 20 DBED C[C@H](NC(N)=O)C(=O)N[C@H](C)CCNc1ccc(C#N)nn1 1106297481 GIWWGMNJUYUAFW-BDAKNGLRSA-N 305.342 -0.288 30 20 DBED C#CCNC(=O)CC(=O)N(CC)CCNc1cncc(C#N)n1 1106730211 LTOSHFFAUNXROG-UHFFFAOYSA-N 314.349 -0.252 30 20 DBED N#Cc1nccnc1NC/C=C\CNC(=O)C1CS(=O)(=O)C1 1107359559 VVHNFLUDNZFBEL-UPHRSURJSA-N 321.362 -0.523 30 20 DBED CCC(=O)N[C@@H](C)C(=O)NC/C=C/CN=c1cc[nH]c(C#N)n1 1107558265 XSYSGQRGJNYIOO-ZWNMCFTASA-N 316.365 -0.231 30 20 DBED C[C@H](CNc1ncccc1C#N)NC(=O)[C@H]1CCS(=O)(=O)N1 1107780328 IQLLHYCDNFVAQS-MWLCHTKSSA-N 323.378 -0.438 30 20 DBED C[C@@]1(CNC(=O)c2c[nH]c(C#N)c2)CN(CC(N)=O)CCO1 1107883414 SPOXBPKRPABZPE-CQSZACIVSA-N 305.338 -0.808 30 20 DBED C[C@]1(CNC(=O)[C@]2(C)CCNC(=O)C2)CN(CC#N)CCO1 1108025325 ZKSCHIMBODBMIZ-CABCVRRESA-N 308.382 -0.367 30 20 DBED C#CCCN1CCO[C@@](C)(CNC(=O)C(=O)NCC(F)F)C1 1108040910 WMVKYPMSUZLGOR-AWEZNQCLSA-N 317.336 -0.402 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)[C@]1(C)CCC(=O)NC1 1108059620 XYBQFXLNSDBFIK-MEBBXXQBSA-N 316.365 -0.397 30 20 DBED CC#CCN1CCO[C@@](C)(CNC(=O)C(C)(C)NC(=O)NC)C1 1108417470 BNUPGSUPNLIHFV-INIZCTEOSA-N 324.425 -0.076 30 20 DBED CC(=O)N[C@@H](C)C(=O)N[C@H](C)CN(C)c1nccnc1C#N 1108817766 HFYPNKQYAVYDHR-ZJUUUORDSA-N 304.354 -0.186 30 20 DBED C[C@H](CN(C)c1nccnc1C#N)NC(=O)[C@H]1CCNC(=O)C1 1108895167 QRAXVIKTUXVRIV-MNOVXSKESA-N 316.365 -0.185 30 20 DBED C[C@H](CN(C)c1ccnc(C#N)n1)NC(=O)c1cnn(C)c1N 1108933948 ZFRJWULGZHGSTO-SECBINFHSA-N 314.353 -0.081 30 20 DBED C[C@H](CN(C)c1ccc(C#N)nn1)NC(=O)CCNC(N)=O 1108962197 YQYMWPZBMACICJ-SECBINFHSA-N 305.342 -0.652 30 20 DBED CN(CCCNc1cncc(C#N)n1)C(=O)Cc1nc[nH]n1 1109516545 LKPZAXXPBXRXJM-UHFFFAOYSA-N 300.326 -0.031 30 20 DBED Cc1c[nH]nc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1110530542 HSXZSRLVBUYQON-UTUOFQBUSA-N 316.365 -0.307 30 20 DBED COC(=O)NCC(=O)N[C@@]1(C)CCN(c2ccc(C#N)nn2)C1 1110711248 VETNWEVKFBNYCO-AWEZNQCLSA-N 318.337 -0.211 30 20 DBED CC(C)(C(N)=O)C(=O)N(CCO)CCNc1nccnc1C#N 1111519599 UUYANRIWRLKBEZ-UHFFFAOYSA-N 320.353 -0.907 30 20 DBED CN(CCCN(C)c1nccnc1C#N)C(=O)[C@H]1CCNC1=O 1112151139 AIRHOPFLIJGQEE-NSHDSACASA-N 316.365 -0.231 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)c2cncnc2O)CC1 1112997805 RFMZGGYWTRBHBI-NSHDSACASA-N 317.349 -0.922 30 20 DBED Cc1nc(CC(=O)N[C@H](C)[C@@H](C)N=c2cc[nH]c(C#N)n2)n[nH]1 1113003903 HQTAXTYBTBNFMI-RKDXNWHRSA-N 314.353 -0.256 30 20 DBED COCC#CCN1CCN(C(=O)c2nc3ncccn3n2)CC1 1113443995 KVQBTSNAUQILPI-UHFFFAOYSA-N 314.349 -0.468 30 20 DBED Cc1nc(CC(=O)NC[C@H](C)N(C)c2nccnc2C#N)n[nH]1 1113586436 ZNTBSUBKTRWURL-VIFPVBQESA-N 314.353 -0.042 30 20 DBED C=CCNC(=O)NC(=O)CN1C[C@H]2C(NC(=O)C3CCC3)[C@@H]2C1 1113765512 VHGFRWBNGHCIMB-VXGBXAGGSA-N 320.393 -0.155 30 20 DBED CC(C)SCC(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1113892742 CALMVBIDGPXLDY-YABSGUDNSA-N 310.423 -0.186 30 20 DBED N#CCN1C[C@H]2[C@H](NC(=O)CCNC(=O)c3ccncc3)[C@H]2C1 1114365807 FOBIGMRHOZGHRR-NHAGDIPZSA-N 313.361 -0.229 30 20 DBED C=CCCCN1C[C@@H]2C(NC(=O)CN3CCOCC3=O)[C@H]2C1 1114412107 QIYAMRTWTUEFMK-STQMWFEESA-N 307.394 -0.142 30 20 DBED C=CCN1C[C@@H]2C(NC(=O)CCCn3c(O)nnc3O)[C@H]2C1 1114496825 UBDNDFIDMFWCBA-UWVGGRQHSA-N 307.354 -0.298 30 20 DBED CC(=O)NCC(=O)NCC1[C@H]2CN(c3cncc(C#N)n3)C[C@H]12 1114503720 SRQFNDVVGJWQID-CHWSQXEVSA-N 314.349 -0.717 30 20 DBED C[C@H](CCCN=c1cc[nH]c(C#N)n1)NC(=O)[C@@H]1COC(=O)N1 1114900093 GWWHBEYIUIGLSY-ZJUUUORDSA-N 318.337 -0.425 30 20 DBED C=CCOCCN1C[C@H]2[C@H](NC(=O)c3c[nH]c(C(N)=O)c3)[C@H]2C1 1115243862 WKCWVGLTAWSSGL-IMRBUKKESA-N 318.377 -0.024 30 20 DBED COC[C@](C)(C#N)NC(=O)CN(C)[C@H]1CCS(=O)(=O)C1 1116778175 XERWFJLRPUWRAT-JQWIXIFHSA-N 303.384 -0.850 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)[C@]2(F)CCOC2)nc1 1122412191 WOGNUQAAGCVLLT-FZMZJTMJSA-N 308.313 -0.029 30 20 DBED Cc1cc(=N[C@@H]2CCN(C(=O)CNC(N)=O)[C@H]2C)c(C#N)c[nH]1 1122931532 PQQDSXLYGXXTKD-CMPLNLGQSA-N 316.365 -0.247 30 20 DBED Cc1ccc(C#N)c(N(C)C[C@H](O)CN(C)C(=O)CC(N)=O)n1 1125024147 MFGQEQGJHYQMJC-GFCCVEGCSA-N 319.365 -0.607 30 20 DBED CNC(=O)CC(=O)N(C)C[C@H](O)CN(C)c1ncccc1C#N 1125069139 FNPHSLGGVALMGM-LBPRGKRZSA-N 319.365 -0.655 30 20 DBED COCCN(CCNC(=O)c1nc[nH]n1)c1cnc(C#N)cn1 1126384347 ODZLLLYDORZBCW-UHFFFAOYSA-N 316.325 -0.651 30 20 DBED C#CCNCc1nnc2n1CC[C@H](NC(=O)[C@H]1CCOC1)CC2 1127958854 MBXHIPMTHNRBSW-QWHCGFSZSA-N 317.393 -0.142 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)c1cc2n(n1)CCC2 1128910429 ZLRTXOUXXDOGKO-NSHDSACASA-N 305.382 -0.161 30 20 DBED C=CCOCC(=O)N1C[C@H](n2ccnn2)[C@H](N[C@@H](C)COC)C1 1129681574 USTMSZHMXWARMH-MJBXVCDLSA-N 323.397 -0.143 30 20 DBED C#CCN1C[C@@H](OC)C[C@H]1c1n[nH]c(CNC(=O)[C@H](C)OC)n1 1130253530 BEWWQYOHHQMALQ-SRVKXCTJSA-N 321.381 -0.149 30 20 DBED C[C@H](NC(N)=O)C(=O)NCc1c[nH]nc1[C@H]1CCN(CC#N)C1 1130381180 RVKLPKUQMJZERR-UWVGGRQHSA-N 319.369 -0.604 30 20 DBED C#CCO[C@@H](C)C(=O)NCc1c[nH]nc1[C@H]1CCN(CCO)C1 1130386697 PYFHDVVKBSRQHB-STQMWFEESA-N 320.393 -0.154 30 20 DBED COC[C@H](OC)C(=O)N1C[C@@H](NCC#N)[C@H](c2cn(C)cn2)C1 1130670445 YTUDZQZGSNWNGK-YUTCNCBUSA-N 321.381 -0.511 30 20 DBED C=CC(C)(C)C(=O)NCc1nc([C@@H]2COCCN2CCO)n[nH]1 1130852438 DUMUHGCVHZXFHV-NSHDSACASA-N 323.397 -0.001 30 20 DBED C[C@H]1Cc2c[nH]nc2[C@@H](C(=O)NCCNCC(=O)NCC#N)C1 1132829576 ASLSUBKXODZMCY-JQWIXIFHSA-N 318.381 -0.579 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1cn(CCC(C)C)nn1 1133751220 YDNUMAVAXBTWHE-UHFFFAOYSA-N 322.413 -0.054 30 20 DBED C=CCCn1cc(C(=O)NCCNCc2cnnn2C)nn1 1135072323 UBSIDMATYSCECA-UHFFFAOYSA-N 304.358 -0.498 30 20 DBED C=CCCN1CCC2(C1)CN(C(=O)CNC(=O)CNC(C)=O)C2 1147799723 SOJOSJPYUZUFJF-UHFFFAOYSA-N 322.409 -0.651 30 20 DBED C=C(C)CN(CC)C(=O)CN1CCC2(C1)CN(C(=O)C(N)=O)C2 1148199830 RAKJQFBWJGIFTR-UHFFFAOYSA-N 322.409 -0.569 30 20 DBED CC1(C)C[C@@H]1C(=O)NC[C@@H]1CN(CC(=O)NCC#N)CCCO1 1149541701 SQUJYUZCTAKHGW-CHWSQXEVSA-N 322.409 -0.121 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)c1n[nH]cc1C 1153226913 MOWSUYCJEACFOA-LLVKDONJSA-N 306.370 -0.202 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@@H](NC(C)=O)C(C)(C)C 1153714605 RLCWVURSCZWORA-CYBMUJFWSA-N 312.414 -0.455 30 20 DBED C=CCOCC(=O)NCCCNCCCN1C(=O)CNC1=O 1155712622 QWJBVUWWDDUOCE-UHFFFAOYSA-N 312.370 -0.773 30 20 DBED C[C@@H](C#N)C(=O)NCCCNC[C@@H]1CCN(S(C)(=O)=O)C1 1155841908 JGZKFMGTXMYQDU-RYUDHWBXSA-N 316.427 -0.477 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)Cc1cncn1C 1156382971 DSOGHDGKBZIVCR-CYBMUJFWSA-N 319.409 -0.461 30 20 DBED CC(C)C#CC(=O)NCCCNCC(=O)NC[C@@H]1CCOC1 1157644481 WYIHZKKULJDTQE-AWEZNQCLSA-N 309.410 -0.106 30 20 DBED N#CCNC(=O)CNCCCNC(=O)c1cnn(C2CCC2)c1 1158029907 MUTBQNXFTNBMJN-UHFFFAOYSA-N 318.381 -0.043 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)c1snnc1CC 1162011988 AWEXYYYLLVUNGY-SNVBAGLBSA-N 323.422 -0.052 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)[C@H](COC)OC)C1=O 1166164238 JFPDHCSFNLKSKZ-OLZOCXBDSA-N 313.398 -0.469 30 20 DBED C=CCn1cc(C(=O)NCCCNCCNC(=O)C2CC2)nn1 1167839359 YMRPTDUWKNTQMP-UHFFFAOYSA-N 320.397 -0.300 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1c2c(nn1C)CCC2 1171009996 IHGYORFWYOLLJS-UHFFFAOYSA-N 317.393 -0.632 30 20 DBED C=CCNC(=O)CNCCCCCCNC(=O)c1cnn[nH]1 1178923770 JYZHRPWOJZLHLC-UHFFFAOYSA-N 308.386 -0.013 30 20 DBED N#CCNC(=O)CNCCCCCCNC(=O)[C@H]1C[C@H]1C(N)=O 1179601830 QUKYGNTYAKALDU-NEPJUHHUSA-N 323.397 -0.986 30 20 DBED Cc1ccnn1CC(=O)N1CC[C@H](NCC(=O)NCC#N)[C@@H]1C 1179627014 TVDGOGDKRRYQFS-STQMWFEESA-N 318.381 -0.590 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)Cn2cncn2)[C@H]1C 1180096136 HXSGRUXUYLJYTP-RYUDHWBXSA-N 306.370 -0.841 30 20 DBED COCCCNC(=O)CN[C@@H]1CCN(C(=O)C#CC2CC2)C1 1182389152 PYKRAPRSAZRIIS-CQSZACIVSA-N 307.394 -0.257 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CCCN2C(C)C)C1 1182472604 GBSPCWYQXQOACL-HUUCEWRRSA-N 320.437 -0.201 30 20 DBED C=CCOCCN[C@@H]1CCN(C(=O)CN2CCOCC2=O)C1 1183295990 LSDCHJWGLDEJOX-CYBMUJFWSA-N 311.382 -0.762 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2ccc(O)nc2)C1 1187564892 XYIMSLDRCXYQQL-DGCLKSJQSA-N 316.361 -0.271 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)[C@@H]2COCCN2C)C1 1189695882 UAVDUPNYRIYNBC-KBPBESRZSA-N 324.425 -0.848 30 20 DBED CN(CC(=O)NCC#N)[C@@H]1CCN(C(=O)C2CCC(O)CC2)C1 1189882433 HZTJWHPJIWNPJX-ROKHWSDSSA-N 322.409 -0.290 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2ccnnc2)C1 1192512133 BORMBROPPGQIAW-ZDUSSCGKSA-N 301.350 -0.628 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(Cc2ocnc2C)C[C@H]1O 1192529771 GZUAQIOEJNTGRE-LALPHHSUSA-N 309.366 -0.029 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(CCCCOC)C[C@H]1O 1192540769 TYKJJNYLACMWBC-UMVBOHGHSA-N 300.399 -0.099 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2nccn2CC)C[C@H]1O 1192844132 JOHDVPPTBZYDQA-MGPQQGTHSA-N 320.393 -0.397 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)C2(NC(N)=O)CCCCC2)C1 1196660575 XKKNKZJDFQNTNN-VXGBXAGGSA-N 310.398 -0.295 30 20 DBED CC#CCN1CCCN(C(=O)COCc2ncnn2C)CC1 1197653857 MMKIDUPFCNXRGP-UHFFFAOYSA-N 305.382 -0.111 30 20 DBED C=CCOCC(=O)N1CCCO[C@H](CN[C@H](CC)C(N)=O)C1 1200114707 HNHDEABWECRJGF-CHWSQXEVSA-N 313.398 -0.340 30 20 DBED C=CCOCCN[C@@H]1C[C@@H](NC(=O)Cn2ncnn2)C12CCC2 1202920516 MGEUGNPKVAEACG-CHWSQXEVSA-N 320.397 -0.107 30 20 DBED CN(CC(=O)N[C@@H]1C[C@H](NCC#N)C12CCC2)S(C)(=O)=O 1202993943 ABPAHSWTCRLFRC-WDEREUQCSA-N 314.411 -0.582 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCC[C@H](NCc2nc(O)n[nH]2)C1 1207949507 CHULMMPTQDMHOF-HZMBPMFUSA-N 309.370 -0.082 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(Cc2nc(C)no2)C[C@H]1OC 1212029770 HDMVRQMTOPGGOX-VXGBXAGGSA-N 310.354 -0.104 30 20 DBED COC[C@H](O)CN1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@H](OC)C1 1212141533 XHQWXMANTVFUHM-MGPQQGTHSA-N 322.365 -0.677 30 20 DBED C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C 1215439210 RMTZMCFAASDBDP-FRRDWIJNSA-N 324.425 -0.279 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1ccoc1 1217276487 WGHJQWFUTVLQMA-UONOGXRCSA-N 317.345 -0.446 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)C[C@](C)(O)C2CC2)C1 1219479973 INFHUOOKPJLNMU-YCPHGPKFSA-N 312.410 -0.099 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(Cc2ncc(C)cn2)C[C@@H]1O 1219535562 BPMIDPWAAAQMDU-DVOMOZLQSA-N 320.393 -0.227 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(Cc2cncc(OC)n2)C[C@@H]1O 1219539378 IVSLOOJOMGKSCO-KGLIPLIRSA-N 318.377 -0.050 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)Cc2csc(C)n2)C1 1220921830 QBBPZLHKFUTULM-KGLIPLIRSA-N 323.418 -0.195 30 20 DBED N#CCNC(=O)CN1CCC(CNC(=O)c2cncnc2)CC1 1222908237 VYHKCVSHTKUZTQ-UHFFFAOYSA-N 316.365 -0.442 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1nonc1C 1230355073 GPGHSYAMFCTRSI-VXGBXAGGSA-N 319.365 -0.242 30 20 DBED C#CCN1CCS(=O)(=O)[C@@H](CCNC(=O)c2cn[nH]c2)C1 1230425626 PHBUMHUANSDAHZ-LBPRGKRZSA-N 310.379 -0.738 30 20 DBED CN(C[C@@H]1CCN1CC(=O)NCC#N)C(=O)c1ccccn1 1230594262 IPWQCBIORBBCAZ-LBPRGKRZSA-N 301.350 -0.132 30 20 DBED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NCCOCCO)n1 1254130639 QLSIDEANAOYSIR-UHFFFAOYSA-N 323.353 -0.427 30 20 DBED N#Cc1ncn(CCNC(=O)c2ccc(C(N)=O)c(Cl)n2)n1 1322750761 RGMJONOYWXOMQZ-UHFFFAOYSA-N 319.712 -0.273 30 20 DBED Cn1nnc2c1C[C@H](C(=O)NS(=O)(=O)CCCC#N)CC2 1323919948 UVYBXVXAQVOUJO-SECBINFHSA-N 311.367 -0.330 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CC[C@@H](C)[C@@H]2CO)nn1 1325945675 AGLQIUSVSKIXLZ-PWSUYJOCSA-N 307.354 -0.690 30 20 DBED CN(C)CCN(CCN(C)C)C(=O)C(=O)N[C@@H]1CC[C@H](C#N)C1 1326261538 RRKSOKWJZGYKHM-UONOGXRCSA-N 323.441 -0.253 30 20 DBED C=CC[C@H]1NC(=O)N(C[C@H]2CCCN2S(C)(=O)=O)C1=O 1326376758 XMFWALOKEKKMMN-NXEZZACHSA-N 301.368 -0.093 30 20 DBED CCONC(=O)CNC(=O)C(=O)N(C)Cc1ccc(C#N)cc1 1327039610 XQTNANPYUKDVDK-UHFFFAOYSA-N 318.333 -0.299 30 20 DBED C=CCNC(=O)CNC(=O)c1nnn(C2CCNCC2)c1C 1328202642 CDZYTAMUCUYEAV-UHFFFAOYSA-N 306.370 -0.457 30 20 DBED N#CCC1(CNC(=O)C(=O)N2CC[C@H]3NC(=O)CC[C@@H]3C2)CC1 1329077362 SHEVHFSFNFBCSB-VXGBXAGGSA-N 318.377 -0.076 30 20 DBED CC#CCN(C)C(=O)C(=O)N1CCC(N2CCOC2=O)CC1 1329784016 HEKSYRNZMWHBDL-UHFFFAOYSA-N 307.350 -0.089 30 20 DBED C#CCN1CCC[C@@H](NC(=O)N2CCO[C@@H](C(=O)NC)C2)C1 1330933189 CGEDUGFGISDUCB-CHWSQXEVSA-N 308.382 -0.760 30 20 DBED C=CCN(C(=O)C(=O)N[C@H]1CS(=O)(=O)C[C@H]1OC)C1CC1 1331070345 RYDYAKFZDGEYFZ-WDEREUQCSA-N 316.379 -0.908 30 20 DBED C=CCC1(O)CCN(C(=O)C(=O)N[C@@H](C)C(=O)N(C)C)CC1 1331680743 CJEBMZRHUHHVPO-NSHDSACASA-N 311.382 -0.491 30 20 DBED COC[C@@]1(C)CCN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)C1 1332388383 YYIZSGOKUCUJMD-LSDHHAIUSA-N 309.366 -0.252 30 20 DBED N#Cc1ccc(CNC(=O)C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 1337881001 OVWHKEZIYITINV-LBPRGKRZSA-N 321.358 -0.522 30 20 DBED C#C[C@@H](CCC)NC(=O)C(=O)Nc1cnn(CC(=O)N(C)C)c1 1343600585 BNBCSTBUTUXKFK-NSHDSACASA-N 319.365 -0.172 30 20 DBED C#C[C@H](NC(=O)C(=O)NC[C@H](OC)C(F)(F)F)[C@@H]1CCCO1 1347010936 FQCPNHZRWOTTDB-GUBZILKMSA-N 322.283 -0.023 30 20 DBED C=C(Br)CNC(=O)C(=O)N[C@@H]1CCCN(C)C1=O 1349066023 GCWRGDKCXWQORQ-MRVPVSSYSA-N 318.171 -0.252 30 20 DBED C=CCn1c(C(N)=O)nnc1N1C[C@H]2CN(C(C)=O)C[C@H]2C1 1355920874 DDLVSXMSPSVLBA-PHIMTYICSA-N 304.354 -0.523 30 20 DBED CN(c1c(C#N)c(=O)n(C)c(=O)n1C)C1CCS(=O)CC1 1363141466 GEWXFHMJIBGYHP-UHFFFAOYSA-N 310.379 -0.697 30 20 DBED COC(=O)[C@@H]1CC12CCN(c1[nH]c(=O)n(C)c(=O)c1C#N)CC2 1363148470 IPCPEUHISKAJLM-JTQLQIEISA-N 318.333 -0.275 30 20 DBED CC(=O)NCC1CCN(c2[nH]c(=O)n(C)c(=O)c2C#N)CC1 1365211327 BSJUAEPTQHFROB-UHFFFAOYSA-N 305.338 -0.702 30 20 DBED Cn1c(=O)[nH]c(N2CCC3(CC2)OCCCO3)c(C#N)c1=O 1365228614 ZXHYTGYJOAVJNA-UHFFFAOYSA-N 306.322 -0.321 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1C[C@H](NCc2nnc3n2CCOC3)C1 1368551639 SQOVPZKZBGWKBS-IJLUTSLNSA-N 318.381 -0.048 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](C)NC(=O)c1ccc2nn[nH]c2n1 1373057758 AHYKRCPUUOQIJG-JGVFFNPUSA-N 301.310 -0.253 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CCS(C)(=O)=O 1374933817 PQQBNKQLNWVLCX-VWYCJHECSA-N 313.379 -0.608 30 20 DBED CCNC(=O)NC(=O)CN[C@H]1C[C@H](CNC(=O)[C@@H](C)C#N)C1 1375523679 KQHDQXZFXSIHKP-DCAQKATOSA-N 309.370 -0.524 30 20 DBED COCC(=O)NCCC(=O)NCC1(NC(=O)[C@@H](C)C#N)CC1 1378864527 RQCZRXOLZCVNIY-JTQLQIEISA-N 310.354 -0.936 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CCN(C(=O)CNC(=O)N2CCCC2)C1 1385612972 MKMFGVVEYYWKSU-NWDGAFQWSA-N 321.381 -0.331 30 20 DBED C[C@H](C#N)C(=O)NC1CC(N(C)C(=O)CCS(C)(=O)=O)C1 1405839480 SLVQJPQCPLOFAR-KPPDAEKUSA-N 315.395 -0.314 30 20 DBED COCCN(CCNC(=O)[C@@H](C)C#N)C(=O)Cn1cccn1 1413518143 WBQBKGGPNXBGDX-LBPRGKRZSA-N 307.354 -0.366 30 20 DBED N#Cc1cn(CCNC(=O)N[C@H]2CCCOCC2)c(=O)nc1O 1414589455 QBMBVENRUCILPS-NSHDSACASA-N 321.337 -0.311 30 20 DBED C[C@H](CS(C)(=O)=O)C(=O)N1CC(NC(=O)[C@H](C)C#N)C1 1430290342 LCTVHKDJOTZDDC-RKDXNWHRSA-N 301.368 -0.846 30 20 DBED C[C@H](C#N)C(=O)NCC1CN(C(=O)c2coc(C(N)=O)c2)C1 1456596037 WZYWEFHSEXIRBA-MRVPVSSYSA-N 304.306 -0.274 30 20 DBED N#Cc1ccc(CNC(=O)CN2CCCCS2(=O)=O)nc1 1460667590 FDIWGKUMBGBRSI-UHFFFAOYSA-N 308.363 -0.005 30 20 DBED CN(CC(C)(C)S(C)(=O)=O)c1[nH]c(=O)n(C)c(=O)c1C#N 1472867059 DUSZIKREGDSDAM-UHFFFAOYSA-N 314.367 -0.795 30 20 DBED COCC1(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2O)CCC1 1489374209 NMTWDJAUWMUGIB-QJPTWQEYSA-N 309.366 -0.349 30 20 DBED Cc1nn(C)c(NC(=O)[C@@H]2CCCN(CC(=O)O)C2=O)c1C#N 1574436036 ZGIFJJUHQSIIKO-VIFPVBQESA-N 319.321 -0.138 30 20 DBED C#CC[C@@]1(C(=O)N2CCN(c3n[nH]c(C)n3)CC2)CCCN1 1574517763 PZQDQNXKMHYUBL-HNNXBMFYSA-N 302.382 -0.093 30 20 DBED C[C@H]1CC[C@@H](NC(=O)CCn2cc(C#N)c(O)nc2=O)CN1 1576657074 MFRSXEXPSSPIBB-GXSJLCMTSA-N 305.338 -0.533 30 20 DBED C#CCN1CCN(c2ncc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 1588353105 GVZWFFHXFFXQDU-UHFFFAOYSA-N 314.309 -0.075 30 20 DBED C#CCN(C(=O)C(=O)NC[C@H](CC)C(=O)O)C1CCN(C)CC1 1588395026 AYIMAZRIRUCIGQ-LBPRGKRZSA-N 323.393 -0.231 30 20 DBED C#CCN(CC(=O)O)C(=O)NCc1cn(CC)c(=O)nc1O 1588409279 VGHQBUJWFXFKPQ-UHFFFAOYSA-N 308.294 -0.802 30 20 DBED C#CCOCCC(=O)NC[C@]1(C(=O)O)C[C@@H]1S(C)(=O)=O 1588490226 WBPDTKNSQKEVCW-JOYOIKCWSA-N 303.336 -0.970 30 20 DBED C[C@@](O)(CNS(=O)(=O)Cc1ccc(C#N)cc1F)C(=O)O 1589148498 ULETXDLKRKZLDT-GFCCVEGCSA-N 316.310 -0.048 30 20 DBED C[C@@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O)n1cnc(C#N)n1 1589422733 AWLQMGVBUXBHEE-CBAPKCEASA-N 303.282 -0.754 30 20 DBED N#Cc1cn(CC(=O)O)c(=O)n(CCOC2CCOCC2)c1=O 1594632859 FMVRXNVIQRGHFW-UHFFFAOYSA-N 323.305 -0.838 30 20 DBED CCN(CCC#N)S(=O)(=O)N1C[C@@H](O)C[C@H](C(=O)O)C1 1596299686 VLHJUCZGSFESPE-UWVGGRQHSA-N 305.356 -0.766 30 20 DBED C#CCN(CC(=O)O)C(=O)[C@@H]1CC(c2cn(C)nc2C)=NO1 1602682311 MLSSVKRORQGHAD-LBPRGKRZSA-N 304.306 -0.232 30 20 DBED C[C@H](C#N)C(=O)N(C)CCNc1cncc(-c2nn[nH]n2)n1 1602982597 YVMPAWFFZAMFIP-MRVPVSSYSA-N 301.314 -0.313 30 20 DBED CN1C[C@H](C(=O)O)N(C(=O)Cc2cccc(C#N)c2)CC1=O 1606200663 ZMTBSRIENKBDKX-GFCCVEGCSA-N 301.302 -0.145 30 20 DBED N#CCN(CC(=O)O)C(=O)c1ccn(CCn2cccn2)n1 1608183168 CGUBRVGSGHBBSA-UHFFFAOYSA-N 302.294 -0.170 30 20 DBED N#CCN(CC(=O)O)C(=O)c1ccc2c(c1)NC(=O)CNC2=O 1608183719 GVKDACVUHFVDJT-UHFFFAOYSA-N 316.273 -0.581 30 20 DBED O=C(O)[C@@H]1C[C@@H](O)CN(C(=O)c2cccc(C#CCO)c2)C1 1608602692 VPVFFDMRHOPWCY-ZIAGYGMSSA-N 303.314 -0.062 30 20 DBED Cn1cncc1CCC(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[nH]1 1609481478 WSEWPLIJPZOLHF-UHFFFAOYSA-N 312.297 -0.234 30 20 DBED C#CCNC(=O)CN1CCC[C@@H](NC(=O)c2ccn(C)n2)C1 1660855822 RELPVJFNNKPRFJ-GFCCVEGCSA-N 303.366 -0.636 30 20 DBED C=CCN1CC[C@@H](N[C@H](C)CNC(=O)c2cnn(CC)n2)C1=O 1752870812 OHKDFRGURRZCAH-VXGBXAGGSA-N 320.397 -0.207 30 20 DBED C#CCNC(=O)CN(CCC)CCNC(=O)c1ccnnc1 1753149204 XJLGZAQXSLYQBM-UHFFFAOYSA-N 303.366 -0.332 30 20 DBED C=CCNC(=O)CN(CCNC(=O)[C@@H]1[C@H]2COC[C@H]21)C1CC1 1753160173 USZNOWHTTQJGLW-NHAGDIPZSA-N 307.394 -0.238 30 20 DBED CCOCC(=O)N1CCC[C@H](C)[C@@H]1CNCC(=O)NCC#N 1753804709 VMBCPKBQEJAVNZ-STQMWFEESA-N 310.398 -0.121 30 20 DBED C=CCCNC[C@H](O)CNC(=O)c1cnc2c(c1)nnn2C 1753920803 GEMPCIGIEGDIFW-NSHDSACASA-N 304.354 -0.380 30 20 DBED C[C@H](CCNCC(=O)NCC#N)NC(=O)[C@@]12CCCN(CC1)C2 1754017836 JHDGJPWIOHXHAL-CJNGLKHVSA-N 321.425 -0.404 30 20 DBED C=C(Cl)CNC/C=C\CNC(=O)[C@@H]1CCS(=O)(=O)N1 1754206327 HUIGGPBLZZBZHP-ZMWSMAPVSA-N 307.803 -0.307 30 20 DBED C=CCNC(=O)[C@H](C)NC[C@@H](C)NC(=O)c1cc(C(N)=O)c[nH]1 1754247116 KEWBWIRUFHTFDA-ZJUUUORDSA-N 321.381 -0.488 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)C[C@@H](C)NC(=O)c1nc(C)c[nH]1 1754336185 HGAASGCMBCXJDY-VXGBXAGGSA-N 305.382 -0.094 30 20 DBED CN(CCCNCC(=O)NCC#N)C(=O)C1(C)CCOCC1 1754403408 QNZUXRKRDVROGB-UHFFFAOYSA-N 310.398 -0.119 30 20 DBED CC(C)OCCC(=O)N[C@H]1[C@H]2C[C@H]1N(CC(=O)NCC#N)C2 1754420420 JUGOSUZJXSRVTF-ZOWXZIJZSA-N 308.382 -0.370 30 20 DBED C#CCN1CC(O)(CNC(=O)c2cccc(-n3cccn3)n2)C1 1754774188 HVPHYBCGSPVBKZ-UHFFFAOYSA-N 311.345 -0.323 30 20 DBED C=CCN1CCC(CO)(NC(=O)CN(C)C(=O)COC)CC1 1755178199 TWORLNVBSMLDEI-UHFFFAOYSA-N 313.398 -0.780 30 20 DBED C=CCNC(=O)CN[C@@H](C)[C@H](C)NC(=O)c1cc(OC)ncn1 1755254314 OMDOCIXMDPRBJV-QWRGUYRKSA-N 321.381 -0.116 30 20 DBED C#CCNC(=O)CN1CC([C@H](C)NC(=O)[C@H](C)NC(=O)CC)C1 1755376794 KBCVVLHDPSVCHD-RYUDHWBXSA-N 322.409 -0.913 30 20 DBED C#CCCCC(=O)N(C)C[C@H](O)CNC(=O)C(=O)NCC1CC1 1756660964 PJSOGYHKROWJDA-CYBMUJFWSA-N 323.393 -0.748 30 20 DBED C#CCCCCC(=O)N[C@@H]1CN(C(=O)c2ncccn2)C[C@@H]1O 1757167602 XZTGVHWAMBGTEK-OLZOCXBDSA-N 316.361 -0.028 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@]3(CN(C(=O)CN)CCO3)C2)c1 1780332775 DIIVJYPAQAJQCV-HNNXBMFYSA-N 317.349 -0.711 30 20 DBED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCC(=O)N3C)C2)C1 1781370093 GYWFITYDWAEQEY-LRDDRELGSA-N 319.361 -0.930 30 20 DBED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)O)C2)C1 1840844403 UOWSCQRJJBROMS-BBRMVZONSA-N 324.377 -0.763 30 20 DBED CS(=O)(=O)N1CCC(C(=O)OCC(=O)NCCC#N)CC1 14897691 ZJTFFVNMFRQAQA-UHFFFAOYSA-N 317.367 -0.769 30 20 DBED CC[C@H](C#N)NC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C 102349703 UTQDUPQLQRORMM-SECBINFHSA-N 301.306 -0.336 30 20 DBED CN(Cc1ncc(Cl)n1C)c1c(C#N)c(=O)n(C)c(=O)n1C 272155212 AGTDNSPBGAIKBN-UHFFFAOYSA-N 322.756 -0.021 30 20 DBED CS(=O)(=O)Nc1cc(C(=O)NCC#CCO)ccc1F 282877797 JDHORMFTSDGWLO-UHFFFAOYSA-N 300.311 -0.077 30 20 DBED N#Cc1ccc(O[C@@H]2CCN(CCN3C(=O)CNC3=O)C2)nc1 292054217 BLVLUFJBNFUUBR-GFCCVEGCSA-N 315.333 -0.042 30 20 DBED C#Cc1cccc(NC(=O)C(=O)NC[C@H](OC)C(=O)OC)c1 293438325 RAAKJKNGCRSAAR-LBPRGKRZSA-N 304.302 -0.089 30 20 DBED CN1CCN(C)[C@@H](CN/C(O)=N/CCN2CCN=C(O)C2)C1 329259893 AKDDJWDLHPANHV-LBPRGKRZSA-N 312.418 -0.992 30 20 DBED O=C1C[C@H](/N=C(/O)[C@@H]2CCOC2)CN1CCN1CCOCC1 329758025 NIPFBFPABXKOAE-OLZOCXBDSA-N 311.382 -0.088 30 20 DBED C/N=C(/O)NC(=O)[C@H](C)N1CCN(Cc2nc(C)no2)CC1 330400294 JGVHJXFBUBIGLM-VIFPVBQESA-N 310.358 -0.456 30 20 DBED CC(C)CNC(=O)[C@H]1CSCN1C(=O)Cn1cnc(C#N)n1 331120936 AXRPBRIWQQSFRR-SNVBAGLBSA-N 322.394 -0.177 30 20 DBED CC(C)(O)C/N=C(/O)Nc1ccn(CCN2CCOCC2)n1 331235970 HEGLMSWFKFYETK-UHFFFAOYSA-N 311.386 0.312 30 20 DBED N#C[C@H]1CN(S(=O)(=O)NCCOCC(F)(F)F)CCO1 336920159 QZGNKPFAXKHRFM-QMMMGPOBSA-N 317.289 -0.376 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CCC[C@@H](OCCO)C1 337074290 QREMYWQDNRMEEM-GFCCVEGCSA-N 305.400 -0.060 30 20 DBED CNC(=O)[C@]1(C)CCN(S(=O)(=O)N(C)C[C@H](C)C#N)C1 337129698 BJVKZNYSULENGW-ZYHUDNBSSA-N 302.400 -0.219 30 20 DBED N#CCNC(=O)CNC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 343508483 POBGCJGHGCGHMC-SSDOTTSWSA-N 306.244 -0.847 30 20 DBED CCS(=O)(=O)C[C@H](C)N(C)S(=O)(=O)N(C)CCC#N 354502957 GFHHXEKSZZRWHY-JTQLQIEISA-N 311.429 -0.168 30 20 DBED CC(=O)N1c2ccccc2C[C@H]1C(=O)NCC(=O)NCC#N 376172306 DDDRDIDYSXJGDA-ZDUSSCGKSA-N 300.318 -0.280 30 20 DBED N#C[C@@H]1N(C(=O)CN2CC(=O)NC2=O)CCC[C@]12CCCCO2 377280329 ZNKVPZSZNSOGKI-XHDPSFHLSA-N 320.349 -0.008 30 20 DBED CC1(C)OB(c2cnc(N3CCNC(=O)C3)nc2)OC1(C)C 390705226 GEANBWAYLTXTKJ-UHFFFAOYSA-N 304.159 -0.288 30 20 DBED C=CCOC[C@H](NS(=O)(=O)C1(COC)CC1)C(=O)OC 451498888 OAXUPFVVLXPKGC-JTQLQIEISA-N 307.368 -0.171 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](N(C)CC(=O)OC(C)(C)C)[C@H](O)C1 487692060 RAEIJUMLJLHLEC-SDDRHHMPSA-N 311.382 -0.009 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2cc(OCC)no2)CC1 491415581 HQOUHNPXKHWFOE-UHFFFAOYSA-N 320.349 -0.420 30 20 DBED C#C[C@@H](CC)NC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 491568779 SRRSMLFXZMPGIB-NSHDSACASA-N 306.366 -0.469 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2cc(C=O)cn2C)CC1 491786984 UVPFCUUUBZMOKT-UHFFFAOYSA-N 316.361 -0.655 30 20 DBED CN(CCC#N)C[C@H](O)CNC[C@@H]1CCCCS1(=O)=O 564874169 ZJMFZQJQSJIUSQ-OLZOCXBDSA-N 303.428 -0.250 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)NC[C@H](CC(=O)O)C(=O)O 567053246 XCNZUQJEBHTFAK-YUMQZZPRSA-N 307.328 -0.770 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 583672368 MMTWXRKXIGSYFX-UTUOFQBUSA-N 322.365 -0.087 30 20 DBED N#Cc1ccc(S(=O)(=O)CCN2CCOC[C@H]2CO)nc1 588969018 DBWNPYLZEOKFRO-GFCCVEGCSA-N 311.363 -0.580 30 20 DBED C=CCn1cc(C(=O)N2CC(n3cc(C(=O)OC)nn3)C2)nn1 592786428 SGCKWQXRAAFNQU-UHFFFAOYSA-N 317.309 -0.461 30 20 DBED CCOC(=O)Cn1ccc(NC(=O)[C@@H](C)n2cnc(C#N)n2)n1 594159267 BBRYJNXBHMRIJX-SECBINFHSA-N 317.309 0.109 30 20 DBED COc1nccc(NC(=O)C(=O)N2CCC[C@@H](CC#N)C2)n1 595086125 ZFJDLAFGLISMHY-JTQLQIEISA-N 303.322 0.576 30 20 DBED Cc1cc(NC(=O)NCc2nc(C(N)=O)co2)nn1CCC#N 596816354 IGNNBUFJQZODQX-UHFFFAOYSA-N 317.309 0.514 30 20 DBED CCS(=O)(=O)N[C@@H](C)C(=O)NCC1CCN(CC#N)CC1 597294822 VGZBIMJGBGLNGF-NSHDSACASA-N 316.427 -0.334 30 20 DBED C[C@@H](C(=O)N1CCOC[C@H]1C#N)n1cnc2c(N)ncnc21 597300159 XHBPOXRCJDKBDW-DTWKUNHWSA-N 301.310 -0.280 30 20 DBED C[C@@H](NC(=O)C(=O)NC[C@@H]1COCCN1)c1ccc(C#N)cc1 599947357 WJZPBIVSZZZARY-BXUZGUMPSA-N 316.361 -0.160 30 20 DBED C[C@H]1CN(C(=O)C(=O)N2CCN(CCC#N)CC2)[C@H](C)CN1 601581546 IAWJULHLBVJIAQ-QWHCGFSZSA-N 307.398 -0.747 30 20 DBED CCN1CCN(CC(=O)N[C@]2(C#N)CCSC2)C(=O)C1=O 604437428 UUYJBTXTAQBYNR-ZDUSSCGKSA-N 310.379 -0.807 30 20 DBED C=C[C@](C)(O)C(=O)NCCN1CCN(c2ncccn2)CC1 666703167 BLBYQAJRLRVBCY-HNNXBMFYSA-N 305.382 -0.348 30 20 DBED C#CC[C@@H](CO)NC(=O)CSCC(=O)N1CCOCC1 717770777 RAWRWFJFGLIAHZ-NSHDSACASA-N 300.380 -0.921 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)CN(C)C(=O)COC 758799999 OQEKQFLGNRKRRW-VIFPVBQESA-N 315.326 -0.965 30 20 DBED C#CCn1cc(CNC(=O)[C@@H]2CC(=O)N(CCOC)C2)cn1 788220896 LQIHTAPGYDISDX-CYBMUJFWSA-N 304.350 -0.373 30 20 DBED N#CCN1CCN(C(=O)[C@@H]2CNC(=O)C[C@H]2C(F)(F)F)CC1 820146833 WCEVRDWCOUWTQB-NXEZZACHSA-N 318.299 -0.031 30 20 DBED C#CCNC(=O)COC(=O)CNc1ccc(S(C)(=O)=O)cc1 845388912 LIOIFCDYYKEURS-UHFFFAOYSA-N 324.358 -0.205 30 20 DBED C#CC[C@@H](NC(=O)Cn1nc2n(c1=O)CCCC2)C(=O)OC 846259069 UZXTVIYFPRATPU-SNVBAGLBSA-N 306.322 -0.938 30 20 DBED C#CCCN1CCN(Cc2nnc3c(=O)n(C)ccn23)CC1 878312299 JMYGVUUOXHWHDR-UHFFFAOYSA-N 300.366 -0.431 30 20 DBED C#CCSCCNC(=O)c1cn(C[C@@H]2CNC(=O)O2)nn1 878925747 WWQSONKKAHYZIU-VIFPVBQESA-N 309.351 -0.517 30 20 DBED N#CCCN1CCN(C(=O)C(=O)NCCC2=CCNCC2)CC1 884722939 QSSSVLLTWFUBMA-UHFFFAOYSA-N 319.409 -0.530 30 20 DBED C#Cc1cncc(C(=O)N2CCC[C@@H]2C(=O)NCC(=O)O)c1 910757265 OOWXBFHAAJUNQM-GFCCVEGCSA-N 301.302 -0.132 30 20 DBED C=C[C@@H](O)C(=O)N1CCN(C[C@H]2CCCS2(=O)=O)CC1 913125697 ZCVDPDJHMHIRSL-VXGBXAGGSA-N 302.396 -0.745 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)Cc1nc2ncccn2n1 919146140 LRXYQSKUPIRUJV-UHFFFAOYSA-N 318.293 -0.778 30 20 DBED CCn1cc(CC(=O)N[C@H]2CCN(C(=O)[C@H](C)C#N)C2)nn1 938429350 DKUPBEYULXUCHL-MNOVXSKESA-N 304.354 -0.283 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2cnn[nH]2)C1 942451710 RIJHJAVAJYKMEL-FOGDFJRCSA-N 305.338 -0.274 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCN(C(=O)[C@H]3CCC(=O)N3)CC2)C1 944881613 ZEOOLWUJMFYUDM-VXGBXAGGSA-N 318.377 -0.124 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CN2CCN(C)C(=O)C2)C[C@@H]1C 947458382 FXODAVYQFFNRGB-LSDHHAIUSA-N 320.437 -0.247 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCCN(C(=O)C(N)=O)C1 951859451 YPBVDZJVWQJAPE-WOPDTQHZSA-N 309.366 -0.440 30 20 DBED CC#CCN1C[C@@H](O)[C@H](CNC(=O)c2cnc(C)nc2OC)C1 958121988 OAKUSEYVIAUAPN-TZMCWYRMSA-N 318.377 -0.161 30 20 DBED CCc1nnc(C)cc1C(=O)NC[C@@H]1CN(CC#N)C[C@@H]1O 958195871 LSHHXHRXIGGKRF-RISCZKNCSA-N 303.366 -0.107 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2nnn(CC)c2CC)C1 958403297 CLVVGRQRTJBHTO-WCQYABFASA-N 305.382 -0.484 30 20 DBED CN(C(=O)[C@H]1CCCO1)[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 958472061 HCJYWUATQBWIBG-MELADBBJSA-N 306.362 -0.391 30 20 DBED C=CCN1C[C@H](CNC(=O)c2ccc(=O)n(CC)n2)[C@@H](O)C1 958495166 VRILJYHVZWEAHK-AAEUAGOBSA-N 306.366 -0.528 30 20 DBED C#CCN1C[C@H](CNC(=O)c2cc(C(N)=O)cs2)[C@@H](O)C1 958729423 VIMZVERNGLKUKC-QWRGUYRKSA-N 307.375 -0.497 30 20 DBED C=CCCN1C[C@H](CNC(=O)c2cc(C(N)=O)ccn2)[C@@H](O)C1 958773188 HYBAGGNXXLXYHE-JSGCOSHPSA-N 318.377 -0.221 30 20 DBED C#CCCN1C[C@@H]2C(NC(=O)c3coc(S(N)(=O)=O)c3)[C@H]2C1 960620221 IETXDKHMVQFMRM-QWRGUYRKSA-N 323.374 -0.390 30 20 DBED CC[C@H](F)C(=O)N1C[C@H](O)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 962347072 MXFZOYMUKRTVFO-WCQGTBRESA-N 308.313 -0.064 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CN(C(=O)c3cc[nH]c3)C[C@@H]2O)c[nH]1 962393068 OECWMODWZGBFQG-OLZOCXBDSA-N 313.317 -0.170 30 20 DBED Cn1nncc1C(=O)NC[C@@H]1COCCN1C(=O)C#CC1CC1 964183776 ZMQKFHUYJNVYMK-GFCCVEGCSA-N 317.349 -0.814 30 20 DBED COc1c(O)nc(O)nc1C(=O)N[C@@H]1CN(CC#N)CC[C@@H]1C 968540278 SWMIPNUXRRHXQR-DTWKUNHWSA-N 321.337 -0.140 30 20 DBED NC(=O)C1(C(=O)N2C[C@@H]3CC[C@H](C2)N3C(=O)C#CC2CC2)CC1 968993202 MQOVJJZMXAVIMY-BETUJISGSA-N 315.373 -0.133 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCCNC1=O 969214077 GEICPOYUVQBNCE-FVCCEPFGSA-N 318.377 -0.126 30 20 DBED C#CCN(C)[C@H]1CCN(C(=O)[C@H]2CCc3nnc(O)n3C2)C1 971819013 UKJAGRNJKULILB-RYUDHWBXSA-N 303.366 -0.288 30 20 DBED C=CCN1CCO[C@]2(CCN(C(=O)[C@H]3CN(C)CCO3)C2)C1 972316843 PKYFQEIWRHKHJQ-GDBMZVCRSA-N 309.410 -0.194 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)c3cn(C)c(O)n3)C2)C1 972532163 PDHHTBRLRNWRFQ-OAHLLOKOSA-N 304.350 -0.324 30 20 DBED CC#CCN1C[C@H]2[C@H](CNC(=O)c3cn(CCOC)nn3)[C@H]2C1 978165381 ZAYNJOKYXNFSFV-ZSOGYDGISA-N 317.393 -0.145 30 20 DBED C#CCN1C[C@@]2(C)CN(C(=O)C3CC(=O)NC(=O)C3)C[C@@]2(C)C1 982646743 SZZKCGJZDWSXRE-CALCHBBNSA-N 317.389 -0.157 30 20 DBED C[C@@H]1[C@@H](NCC#N)CCN1C(=O)Cn1nc2n(c1=O)CCCC2 987313621 PGULRVQMSFJVJC-NEPJUHHUSA-N 318.381 -0.516 30 20 DBED C#CCN[C@@H]1C[C@H](C)N(C(=O)CN2C(=O)CC(C)(C)C2=O)C1 988843750 LBGQAQOOCQZJSC-NWDGAFQWSA-N 305.378 -0.016 30 20 DBED CC1(C)NC(=O)N(CC(=O)N2CCC(NCC#N)CC2)C1=O 997256885 MUUAOQSDWOAGKU-UHFFFAOYSA-N 307.354 -0.579 30 20 DBED N#CCN[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 999146813 XWTBVGBMHSLDCC-NWDGAFQWSA-N 316.365 -0.133 30 20 DBED C=CCn1cc(C(=O)N(C)C2CC(N[C@@H]3CCNC3=O)C2)nn1 999523025 NAGYYELGEQFPHR-HTAVTVPLSA-N 318.381 -0.455 30 20 DBED CC1(C)CN(C(=O)C(N)=O)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 1008021089 KWZJMPGRNSKWBZ-SNVBAGLBSA-N 303.322 -0.662 30 20 DBED C#CCN1CC[C@H](NC(=O)C2(n3cnnn3)CCOCC2)C1 1015822565 JCUGHSRFUOHLBS-LBPRGKRZSA-N 304.354 -0.998 30 20 DBED C=CCN1CC[C@@H](N2CC[C@H](NC(=O)c3nonc3C)C2)C1=O 1016418530 YUHSQUHKFUCWST-NWDGAFQWSA-N 319.365 -0.031 30 20 DBED CN(C[C@H]1CCCCN1C(=O)C(N)=O)C(=O)c1cc(C#N)c[nH]1 1019794922 ZSWSDRXEBFARGW-LLVKDONJSA-N 317.349 -0.175 30 20 DBED C#CCOc1ncccc1C(=O)N[C@H]1C[C@H](N[C@@H](C)C(N)=O)C1 1020945876 YVGROJDGGVKQDQ-SRVKXCTJSA-N 316.361 -0.182 30 20 DBED C=CCN1CC[C@H](N[C@H]2C[C@H](NC(=O)[C@@H]3CCC(=O)N3)C2)C1=O 1020950910 KJTUOSZIZGGDOB-CYDGBPFRSA-N 320.393 -0.711 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)c3cn[nH]c3)C[C@H]2O)[nH]1 1023429663 VDENZRFBQKCBQI-VXGBXAGGSA-N 314.305 -0.775 30 20 DBED C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2nnc(O)nc2O)C1 1025474877 PHWKHDXRTHSRIG-VHSXEESVSA-N 305.338 -0.254 30 20 DBED C=CCN1CC[C@H](N(C)[C@@H]2CCCN(C(=O)C(N)=O)C2)C1=O 1027551864 DHPMSHHGRLNVQC-NEPJUHHUSA-N 308.382 -0.819 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN([C@H]2CCCN(C)C2=O)C1 1030464402 RJIHENJGIAFRFT-GJZGRUSLSA-N 318.421 -0.495 30 20 DBED C#CCN1CCO[C@H](CNC(=O)[C@@H]2C[C@H]2c2ccnn2C)C1 1035461601 WUPMLRJNWUZPSW-MGPQQGTHSA-N 302.378 -0.026 30 20 DBED N#CCN1CCO[C@@H](CNC(=O)[C@@H]2CCc3n[nH]cc3C2)C1 1035575368 ZDJSDGCGICWICP-YPMHNXCESA-N 303.366 -0.145 30 20 DBED C=CCN[C@@H]1CCN(C(=O)CN2CC(=O)N(C)C2=O)C[C@@H]1C 1036256767 HTCWVZWOGOGNPC-NWDGAFQWSA-N 308.382 -0.107 30 20 DBED CC(C)(C)C#CC(=O)N1CC[C@@](O)(CNC(=O)c2cnn[nH]2)C1 1040264446 CTHHHRJJHNEMLE-OAHLLOKOSA-N 319.365 -0.453 30 20 DBED Cc1n[nH]c(C)c1C(=O)NC[C@]1(O)CCN(C(=O)[C@H](C)C#N)C1 1040538917 SDZPSLDJXMJATH-RFAUZJTJSA-N 319.365 -0.121 30 20 DBED Cc1nc[nH]c1CC(=O)N1CC[C@](O)(CNC(=O)[C@@H](C)C#N)C1 1040758782 BNDWUWPQEJOVMK-BONVTDFDSA-N 319.365 -0.500 30 20 DBED N#Cc1cnc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC3(F)F)C2)cn1 1041011254 AZYKYEPVBXOORJ-IVZWLZJFSA-N 309.276 -0.331 30 20 DBED C=CCCO[C@H](C)C(=O)N1CC(O)(CNC(=O)C(F)F)C1 1041064556 ZSKZRIHEUDIMKT-SECBINFHSA-N 306.309 -0.078 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)[C@@]2(C)CCNC(=O)C2)C1 1041972846 JPWIGPMHSIDMLL-HNNXBMFYSA-N 323.393 -0.442 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)CNC(=O)CC)C1 1042108131 INDJTJXKYOUYNK-UHFFFAOYSA-N 309.366 -0.994 30 20 DBED C#CCCN1CC[C@H]2CCN(C(=O)CN3CCNC(=O)C3)C[C@@H]21 1042182152 CCJGOYJHCXVIPS-GJZGRUSLSA-N 318.421 -0.636 30 20 DBED C#CCC1(C(=O)NCC2(O)CN(C(=O)C(N)=O)C2)CCCCC1 1043560584 YOSPXNCQBJUEOT-UHFFFAOYSA-N 321.377 -0.865 30 20 DBED C=CCOCCCC(=O)N1CC(O)(CNC(=O)c2cnn[nH]2)C1 1043810982 RIJHDANVBFLKMA-UHFFFAOYSA-N 323.353 -0.909 30 20 DBED N#Cc1cncc(N2C[C@H](O)[C@H](NC(=O)c3csnn3)C2)n1 1044354940 NAOKXPSKIXQVAN-SCZZXKLOSA-N 317.334 -0.821 30 20 DBED CCc1nc[nH]c1C(=O)NCC1(O)CN(C(=O)[C@@H](C)C#N)C1 1044700330 NHKZWLRMCBRWPQ-VIFPVBQESA-N 305.338 -0.565 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCCC(=O)N2C)C1 1044706363 XPDWFQDDXDNEQV-LBPRGKRZSA-N 323.393 -0.347 30 20 DBED C=CCCCC(=O)NCC1(O)CN(C(=O)[C@H]2CCN(C)C2=O)C1 1045465629 BFMBLEAJGNYMJV-LBPRGKRZSA-N 323.393 -0.490 30 20 DBED C#CCCN1CC[C@H](N2CCN(C(=O)c3cnn(C)n3)CC2)C1 1046070673 ZANFFZDSDTUTLS-AWEZNQCLSA-N 316.409 -0.330 30 20 DBED C#CCCN1C[C@H]2CN(C(=O)CC[C@H]3NC(=O)NC3=O)C[C@H]2C1 1049206452 BNUROGUMINUBGD-FRRDWIJNSA-N 318.377 -0.612 30 20 DBED C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1cnc(C(N)=O)n1 1049481730 JGXHBGRIBDCMLZ-NWDGAFQWSA-N 316.365 -0.925 30 20 DBED C=CCOCC(=O)N1CC[C@H]([C@@H](C)NC(=O)c2cnnn2C)C1 1050297644 OFDDCODCUYQTON-NEPJUHHUSA-N 321.381 -0.016 30 20 DBED C=CCN1CCOC[C@@H]1CNC(=O)c1cnc2c(c1)nnn2C 1051024460 CEFXFONPKPTCOU-LBPRGKRZSA-N 316.365 -0.020 30 20 DBED N#CCN1CCOC[C@@H]1CNC(=O)[C@H]1CCc2nncn2CC1 1051034287 OJOMGHDHOJPLEY-STQMWFEESA-N 318.381 -0.429 30 20 DBED O=C1NCC[C@@H]1N1CC2(CN(C(=O)C#CC3CC3)CCO2)C1 1053249973 HUHAKXDONKADOX-ZDUSSCGKSA-N 303.362 -0.799 30 20 DBED C=CCN1CC2(C1)CN(C(=O)c1ccc3nnnn3c1)CCO2 1053340380 DLYDJUAMBGYPFA-UHFFFAOYSA-N 314.349 -0.163 30 20 DBED C=CCCN1CC2(C[C@@H](NC(=O)Cn3ncn(C)c3=O)CO2)C1 1053851947 DGJCTKSJTODYFZ-GFCCVEGCSA-N 321.381 -0.883 30 20 DBED C=C(C)CN1CC2(C[C@H](NC(=O)c3c[nH]c(=O)cn3)CO2)C1 1053909174 JJYDONSXDCNYER-NSHDSACASA-N 304.350 -0.081 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)c3cccc(C(N)=O)n3)CO2)C1 1054020411 LYIHATRNBFQEMJ-LLVKDONJSA-N 314.345 -0.613 30 20 DBED N#Cc1nccnc1N1CCN(C(=O)c2cc[n+]([O-])cc2)CC1 1055712309 FWJGMRPMINKHEH-UHFFFAOYSA-N 310.317 -0.056 30 20 DBED N#Cc1cncc(N2CCN(C(=O)c3c[nH]c(=O)cn3)CC2)n1 1055990061 PGSDBCZKNQOYJG-UHFFFAOYSA-N 311.305 -0.606 30 20 DBED N#Cc1nccnc1N1CCN(C(=O)CCc2cnn[nH]2)CC1 1056024510 GWEIXHNGFLMHDV-UHFFFAOYSA-N 312.337 -0.252 30 20 DBED C=CCCC(=O)N1CCC[C@](CO)(NC(=O)[C@@H]2CNC(=O)N2)C1 1056082692 MXFYVSOKMMCDAY-NHYWBVRUSA-N 324.381 -0.896 30 20 DBED C[C@@H](C#N)C(=O)N[C@]1(CO)CCCN(C(=O)c2ccnn2C)C1 1056093331 JXNPNDHSZXXTFX-XHDPSFHLSA-N 319.365 -0.337 30 20 DBED CN(c1cnc(C#N)cn1)[C@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 1056910504 WHKSGPHEPKGBFG-QWRGUYRKSA-N 316.321 -0.506 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)Cc1cnn(C)c1 1057171346 XWJAXDZHDBUYOX-UHFFFAOYSA-N 308.382 -0.134 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)c1cc(=O)n(C)o1 1057436732 CEORNWCZKIACOG-UHFFFAOYSA-N 323.349 -0.812 30 20 DBED Cc1ncncc1C(=O)NCCN(CCO)C(=O)C#CC1CC1 1057531020 CFWDEDVCXLXWQT-UHFFFAOYSA-N 316.361 -0.251 30 20 DBED Cc1nonc1C(=O)NCCN(CCO)C(=O)C#CC1CC1 1057538005 SIOAQTOHEJMHMY-UHFFFAOYSA-N 306.322 -0.658 30 20 DBED N#Cc1cncc(N2CCC[C@@H](NC(=O)[C@@H]3CCC(=O)N3)C2)n1 1058180355 IKMSIPTYKVRCNG-PWSUYJOCSA-N 314.349 -0.288 30 20 DBED C=CCO[C@H](C)C(=O)NCCN(CCO)C(=O)c1c[nH]nc1C 1058270935 ZVBVOPWTICSDCN-GFCCVEGCSA-N 324.381 -0.140 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2CCN(c3nccn4nnnc34)C2)[nH]1 1058330489 UYLPRBRQOGYJFG-JTQLQIEISA-N 323.320 -0.272 30 20 DBED Cc1cc(C#N)nc(N2CC[C@@H](NC(=O)Cn3nccn3)C2)n1 1058461574 SJYIAWXMVAMBAU-LLVKDONJSA-N 312.337 -0.357 30 20 DBED C[C@]1(C(=O)N[C@@H]2CCN(c3cnc(C#N)cn3)C2)CCNC1=O 1058541481 LTLUHURPVWGMCU-BMIGLBTASA-N 314.349 -0.431 30 20 DBED CCn1ncc(C(=O)NCCN(CCO)C(=O)[C@H](C)C#N)c1C 1058655123 QXYPTTHSHXOIMJ-LLVKDONJSA-N 321.381 -0.078 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)CN1CC[C@@H](C)C1 1058845137 GDGAUIHZEGGVNZ-OAHLLOKOSA-N 323.437 -0.075 30 20 DBED C#CCOCCC(=O)NCC[C@@H]1CCN(C(=O)CC(N)=O)C1 1059380659 KAAWHLPOXXAFTE-GFCCVEGCSA-N 309.366 -0.744 30 20 DBED N#Cc1cncc(N2CC[C@H]3[C@H](CCCN3C(=O)C(N)=O)C2)n1 1059540849 ZOOUKWMSCRWNFF-PWSUYJOCSA-N 314.349 -0.349 30 20 DBED CN1C(=O)CC[C@H]1C(=O)N[C@H]1C[C@@H](N=c2cc[nH]c(C#N)n2)C1 1059789508 IJKNNTAFFXVPOL-AXFHLTTASA-N 314.349 -0.550 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@@H](N=c2cc[nH]c(C#N)n2)C1 1059868281 OSDVRHIKYCGGGN-MJBXVCDLSA-N 324.388 -0.073 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 1060967221 JQGUBSBLZPSZIT-LLVKDONJSA-N 313.361 -0.099 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)CCc1nc[nH]n1 1061484912 XDXPSOIYNAHQNF-GHMZBOCLSA-N 320.353 -0.759 30 20 DBED C#CCCCC(=O)NC[C@H]1COCCN1C(=O)[C@H](C)NC(C)=O 1061537058 XSOCDUWDPAWGNM-JSGCOSHPSA-N 323.393 -0.342 30 20 DBED CN(C(=O)Cc1nc[nH]n1)[C@@H]1CCN(c2cncc(C#N)n2)C1 1062976713 RZUSIBXMOLAWPX-LLVKDONJSA-N 312.337 -0.254 30 20 DBED N#Cc1nccnc1NCCC1CCN(C(=O)C(N)=O)CC1 1063335155 WNGLTMVHIQGCTL-UHFFFAOYSA-N 302.338 -0.126 30 20 DBED N#Cc1cncc(N2CCC3(CCN(C(=O)C(N)=O)C3)CC2)n1 1064587760 KEUILRGVEHZJFF-UHFFFAOYSA-N 314.349 -0.348 30 20 DBED C#CCNC(=O)CC(=O)N1CCO[C@@H](CNC(=O)[C@@H]2C[C@H]2C)C1 1065066847 DNZQFVOCKRJVRJ-FRRDWIJNSA-N 321.377 -0.875 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)[C@@H]2CCNC2=O)CCO1 1065422734 UECNLIPPDHGHQC-NWDGAFQWSA-N 309.366 -0.568 30 20 DBED N#Cc1cnc(N2CCOC[C@@H]2CNC(=O)c2cc[nH]n2)cn1 1066465306 YGPBDFKXDQFMOS-NSHDSACASA-N 313.321 -0.293 30 20 DBED C#CCO[C@H](C)C(=O)N(C)CCCN(C)C(=O)Cc1nc[nH]n1 1067431305 OWQMDQQYXNQHJE-GFCCVEGCSA-N 321.381 -0.308 30 20 DBED N#Cc1cnccc1N1C[C@@H](O)[C@@H](CNC(=O)c2cn[nH]c2)C1 1067650578 AWEUGJADTAZQLO-GXTWGEPZSA-N 312.333 -0.097 30 20 DBED C[C@@H]1[C@H](N=c2cc[nH]c(C#N)n2)CCN1C(=O)c1cn(C)nn1 1068827189 DMQODMMDOYMQJM-NXEZZACHSA-N 312.337 -0.386 30 20 DBED C[C@H]1C[C@H](Nc2cncc(C#N)n2)CN1C(=O)CS(C)(=O)=O 1069042005 QVQDUKHLGGKQIB-UWVGGRQHSA-N 323.378 -0.206 30 20 DBED CC#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)Cc2cnoc2)C1 1070006553 BNHLBWFJNRPBHQ-KGLIPLIRSA-N 314.349 -0.126 30 20 DBED C=CCN[C@@H]1CN(C(=O)Cc2ccnn2C)C[C@@H]1n1ccnn1 1070184536 ZUHUFKQGTWPCFT-KGLIPLIRSA-N 315.381 -0.218 30 20 DBED CC(C)(C)C#CC(=O)N1CCC[C@@H](NC(=O)CNC(N)=O)C1 1070708728 BTMSYDZPZSUTMX-LLVKDONJSA-N 308.382 -0.189 30 20 DBED C#CCOCCC(=O)N[C@H]1CN(C(=O)Cc2nc[nH]n2)C[C@H]1C 1072776250 VWTFFJMQLCOWIG-NEPJUHHUSA-N 319.365 -0.650 30 20 DBED C=CCN1C[C@@H]2CCN(C(=O)CCn3ncn(C)c3=O)[C@@H]2C1 1076084669 DKNCZUKZWNSZTR-QWHCGFSZSA-N 305.382 -0.309 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)[C@H]1CCCN1C 1076218955 MYTPHOAGTUFTOB-QWHCGFSZSA-N 322.409 -0.769 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H](C)CCNC(=O)Cc1n[nH]c(C)n1 1076437295 SLTBQBKOSRFYGW-WDEREUQCSA-N 321.381 -0.295 30 20 DBED Cn1nc(CC(=O)N[C@@H]2CN(CC#N)C[C@H]2O)c2ccccc21 1077004182 QYSLZDQBXARVGC-UKRRQHHQSA-N 313.361 -0.199 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCc3nn[nH]c32)C1 1077585027 OAZAKFXPFAQVBB-CYZMBNFOSA-N 303.366 -0.591 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H](C)CCNC(=O)[C@@H]1[C@H]2COC[C@H]21 1077906517 BKBRMFBYJIGKPM-QSLWVIQJSA-N 308.378 -0.072 30 20 DBED C=C[C@@](C)(O)CC(=O)N(C)[C@@H]1CCCN(C(=O)C(N)=O)CC1 1078937014 SEUWTAUPYMMVKZ-IAQYHMDHSA-N 311.382 -0.362 30 20 DBED C#CCNC(=O)CC(=O)N(CC)C1CN(C(=O)CCCOC)C1 1079644676 OIIITRHVBMUZRZ-UHFFFAOYSA-N 323.393 -0.388 30 20 DBED C=CCN1C[C@@H](NC(=O)[C@H]2CCN(C)S2(=O)=O)[C@H](C)C1 1080595859 QPIQIMGJUCZVTR-IJLUTSLNSA-N 301.412 -0.357 30 20 DBED C=CCCOCC(=O)N1C[C@@H](O)[C@H](CNC(=O)COC)C1 1081167808 ZOUXMCAYPUNOBG-VXGBXAGGSA-N 300.355 -0.839 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)COCC=C)C[C@@H]1O 1081347319 UYXNRNQCINAPEH-OLZOCXBDSA-N 312.366 -0.673 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@H](CNC(=O)Cn2nccn2)C1 1081516936 KVMYKQHYNHLBQI-OLZOCXBDSA-N 319.365 -0.983 30 20 DBED O=C(Cc1cnc[nH]1)NC[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 1081799850 BQWDIYBTBMZMSU-JSGCOSHPSA-N 316.361 -0.699 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@@H]2CN(C(C)C)CCO2)[C@H](OC)C1 1082063979 NFOORQBOAUQNGH-KFWWJZLASA-N 309.410 -0.456 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@H]2CCCS2(=O)=O)[C@H](OC)C1 1082377156 FSGMIQFOFLJWHT-IJLUTSLNSA-N 300.380 -0.988 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1COCCN1C 1083056253 HBWBKUMZTBQUOD-RRFJBIMHSA-N 307.394 -0.748 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CCc1cnccn1 1083240961 GGZMWPFRVCOQOS-LSDHHAIUSA-N 300.362 -0.046 30 20 DBED C#CCN[C@H]1C[C@H](CNC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 1086437615 HZTSZFXPZFZLAB-GVXVVHGQSA-N 301.350 -0.517 30 20 DBED C=CCN1CC[C@@H](N(C)C[C@@H]2CCCCN2C(=O)C(N)=O)C1=O 1089221919 UMEYEKFYUCMJKL-QWHCGFSZSA-N 322.409 -0.429 30 20 DBED C=CCN1CC[C@@H](NC(=O)c2cnc(N(C)C)cn2)[C@@H](O)C1 1090264747 HNNCEBPFRYWYFY-YPMHNXCESA-N 305.382 -0.106 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2cn(C3CCC3)nn2)[C@@H](O)C1 1090275213 YCBYJDABNQCNRV-OCCSQVGLSA-N 303.366 -0.199 30 20 DBED C=CCn1cccc1C(=O)N[C@@H]1CCN(CC(N)=O)C[C@@H]1O 1090322868 LUAFNCOAMPWDMA-YPMHNXCESA-N 306.366 -0.676 30 20 DBED CO[C@H](C(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1O)C1CC1 1090412577 BHWWVECPPPELMY-BZPMIXESSA-N 317.349 -0.561 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2c(O)nnc(C)c2C)[C@H](O)C1 1090478489 FYVNPXKXCKIRSM-QWHCGFSZSA-N 318.377 -0.013 30 20 DBED C=CCN1CC[C@@H](NC(=O)c2ccoc2CC(N)=O)[C@@H](O)C1 1090523256 PASHBXJSZJGPEG-NEPJUHHUSA-N 307.350 -0.342 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2ccc(OC)nn2)[C@@H](O)C1 1090703702 IQSKHTIWKXUIQM-AAEUAGOBSA-N 304.350 -0.327 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)c2nccnc2C(N)=O)[C@H](O)C1 1090795411 WPTDKZUEUHFANF-GHMZBOCLSA-N 319.365 -0.683 30 20 DBED CNC(=O)NCC(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1C 1090835934 TZFIWTNYGAVQLN-MWLCHTKSSA-N 317.353 -0.782 30 20 DBED CC(=O)N[C@H](C)C(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@@H]1O 1091064485 KNUMEDUENQBXBS-WQAKAFBOSA-N 317.349 -0.856 30 20 DBED N#Cc1c(F)cccc1N1CC[C@H](NC(=O)CC(N)=O)[C@H](O)C1 1092135472 YKMDVMMSQGJAHX-WCQYABFASA-N 320.324 -0.371 30 20 DBED Cn1ncc(C(=O)N[C@H]2CC3(CN(CC#N)C3)n3ccnc32)n1 1092402265 NXKJQFITWUOKBE-JTQLQIEISA-N 312.337 -0.579 30 20 DBED N#Cc1ccc(NCCNC(=O)COC[C@H]2CCOC2)nn1 1093867125 PCOXFEGRGSGPHY-NSHDSACASA-N 305.338 -0.071 30 20 DBED N#Cc1cccnc1NCCNC(=O)CCCS(N)(=O)=O 1094078424 TXRVLHCDTQHZDD-UHFFFAOYSA-N 311.367 -0.450 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)c3nccnc3N)CC2=O)C1 1094715091 HIPJCBRVLVKRND-SNVBAGLBSA-N 316.365 -0.740 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H]1CCc2nnc(O)n2C1 1095642215 PIBLBNPITLMBAS-NDBYEHHHSA-N 315.377 -0.099 30 20 DBED CN(C)CCOCC(=O)N[C@@H]1CCN(c2cncc(C#N)n2)C1 1096400136 IDEFXECNXBHHFD-GFCCVEGCSA-N 318.381 -0.379 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H](CNC(=O)[C@H]1CCC(=O)N1)C1CC1 1096599503 ZLIMKWUDFGAEJD-KGLIPLIRSA-N 313.361 -0.040 30 20 DBED C[C@H](NC(N)=O)C(=O)NC[C@@H](Nc1cnc(C#N)cn1)C1CC1 1096655913 ISOXKSATPAAXNI-GZMMTYOYSA-N 317.353 -0.288 30 20 DBED N#Cc1ccc(N[C@H](CNC(=O)[C@H]2COC(=O)N2)C2CC2)nn1 1096660734 ZAEQBWWQUMCRBZ-GHMZBOCLSA-N 316.321 -0.237 30 20 DBED N#Cc1ccc(N[C@@H](CNC(=O)[C@H]2CNC(=O)N2)C2CC2)nn1 1096799755 AAQNPXROYZYVLL-WDEREUQCSA-N 315.337 -0.664 30 20 DBED C[C@@H](CNC(=O)[C@H]1COCCN1C)Nc1nccnc1C#N 1097764111 AXGXNKMEKMFMRX-CMPLNLGQSA-N 304.354 -0.405 30 20 DBED C[C@@H](CNC(=O)Cn1cnnc1O)N=c1cc[nH]cc1C#N 1097787528 IBHNRGLXCLMBLV-VIFPVBQESA-N 301.310 -0.711 30 20 DBED Cc1cc(C#N)nc(N[C@@H](C)CNC(=O)Cn2cnnc2O)n1 1097788088 URLRRWFKZJEMIN-VIFPVBQESA-N 316.325 -0.429 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CCCCC(=O)N1)N=c1cc[nH]c(C#N)n1 1098273936 IAUBZWHDYXBUGA-QWRGUYRKSA-N 316.365 -0.254 30 20 DBED C[C@H]1CC(=O)N[C@@H](C(=O)N2CCC(N(CC#N)CCO)CC2)C1 1098371259 MTPOMPPWFAPEGV-TZMCWYRMSA-N 322.409 -0.290 30 20 DBED C#CCN(CCO)C1CCN(C(=O)[C@H]2CC(=O)N[C@H](C)C2)CC1 1098415065 NWFGIJFZCDVHOG-ZIAGYGMSSA-N 321.421 -0.180 30 20 DBED CNC(=O)NCC(=O)N1CC[C@H](CNc2nccnc2C#N)C1 1098578653 AHYOYHGOCNFDCU-SNVBAGLBSA-N 317.353 -0.462 30 20 DBED C[C@@H](CCNC(=O)[C@@H]1[C@H]2COC[C@H]21)N=c1cc[nH]c(C#N)n1 1099636616 OXDLSNRJGHEADT-KZWBYHQPSA-N 301.350 -0.031 30 20 DBED CCCCNC(=O)CN1CC[C@@H](NC(=O)C#CC2CC2)[C@H](O)C1 1099826526 MGPUPOCCOVQOAI-HUUCEWRRSA-N 321.421 -0.133 30 20 DBED C#CCN1CC[C@H](NC(=O)CCn2c(C)csc2=O)[C@@H](O)C1 1099879303 ILXIBHOQWHIDAE-STQMWFEESA-N 323.418 -0.207 30 20 DBED N#CCNC(=O)CN1CC[C@@H](NC(=O)C2(C3CC3)CC2)[C@H](O)C1 1099885662 QHVQTADQVLMJNW-CHWSQXEVSA-N 320.393 -0.632 30 20 DBED C#CCN1CC[C@@H](NC(=O)C2(C(=O)N(C)C(C)C)CC2)[C@@H](O)C1 1100052969 HTYNWRQVMOFRDP-KGLIPLIRSA-N 321.421 -0.182 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)C[C@](C)(O)C2CC2)C1 1100256764 YBBILZMFMKCWAF-AJUCZRQESA-N 321.421 -0.229 30 20 DBED COc1cc(C(=O)NCCN(C)c2cnc(C#N)cn2)nn1C 1100414195 XXGAWUAQJFWSJE-UHFFFAOYSA-N 315.337 -0.043 30 20 DBED CN(CCNC(=O)c1cn(C)ccc1=O)c1cnc(C#N)cn1 1100421708 XHGGTNLVUKSOEN-UHFFFAOYSA-N 312.333 -0.087 30 20 DBED COCC#CCNC1CC(CNC(=O)C[C@@H]2CCN(C)C2=O)C1 1100433869 DOICUGHCPTWPGH-SLTAFYQDSA-N 321.421 -0.011 30 20 DBED CCN(CCNC(=O)CS(C)(=O)=O)c1ncccc1C#N 1100470635 WIQFQFHLOSOZPJ-UHFFFAOYSA-N 310.379 -0.060 30 20 DBED CCCN(CCNC(=O)CNC(N)=O)c1nccnc1C#N 1101083446 CONDMMLSTOJDOF-UHFFFAOYSA-N 305.342 -0.651 30 20 DBED N#Cc1cncc(N(CCNC(=O)[C@@H]2CCNC2=O)C2CC2)n1 1101419184 XTFXACBWWQZPRE-GFCCVEGCSA-N 314.349 -0.431 30 20 DBED CCN1CCOC[C@@H]1C(=O)N(C)CCN=c1cc[nH]cc1C#N 1101844483 CHMZEQANKGBMQC-OAHLLOKOSA-N 317.393 -0.034 30 20 DBED CC#CCN1C[C@@H](C)[C@H](CNC(=O)CN2C(=O)CNC2=O)C1 1102560921 UMLLGFJDCBZUST-VXGBXAGGSA-N 306.366 -0.754 30 20 DBED CN(C(=O)CNC(N)=O)[C@H]1CCN(c2ccnc(C#N)n2)C1 1102668215 GVNANSCSHOZFDN-VIFPVBQESA-N 303.326 -0.946 30 20 DBED CC[C@@H](CNC(=O)COCCOC)N=c1cc[nH]c(C#N)n1 1103030382 BXAWKBKXZCQGDU-NSHDSACASA-N 307.354 -0.260 30 20 DBED C#CCN1C[C@@H](C)[C@H](CCNC(=O)[C@H](C)NS(C)(=O)=O)C1 1103470895 MIEPJODURJQHRA-FRRDWIJNSA-N 315.439 -0.369 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)Cc1cnn(C)c1 1103890388 WGGKOMWIOMHJQT-LLVKDONJSA-N 313.365 -0.089 30 20 DBED C[C@@H](CNc1ccc(C#N)nc1)N(C)C(=O)Cn1ncnn1 1104689798 YEYLWJLXTVTPSM-JTQLQIEISA-N 300.326 -0.101 30 20 DBED CC(=O)NCC(=O)N[C@H]1CCC[C@@H]1CN=c1cc[nH]c(C#N)n1 1105644204 KRHRSHXLCFSOMK-NEPJUHHUSA-N 316.365 -0.397 30 20 DBED N#Cc1nc(=NC[C@H](O)CNC(=O)C[C@@H]2CCCCO2)cc[nH]1 1105789190 UEKNPIOGNLBHQJ-RYUDHWBXSA-N 319.365 -0.382 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H](O)CNC(=O)CC1OCCCO1 1105810530 SYGXECMSVOYSIZ-GFCCVEGCSA-N 320.349 -0.583 30 20 DBED Cc1cc(C(=O)NC[C@@H](O)CN=c2cc[nH]c(C#N)n2)c(C)[nH]1 1106128816 VJTCVPVJTABXDH-NSHDSACASA-N 314.349 -0.082 30 20 DBED C#CCOCCC(=O)N[C@H](C)CCNc1ccc2nnnn2n1 1106441561 BWGNJSZBQJRNBJ-LLVKDONJSA-N 317.353 -0.134 30 20 DBED CCN(CCNc1ccc(C#N)nn1)C(=O)[C@@H]1CN(C)CCO1 1106710152 YKJPODHEDCEPPD-ZDUSSCGKSA-N 318.381 -0.061 30 20 DBED C=CCOCC(=O)NC[C@]1(C)CN([C@@H]2CCNC2=O)CCO1 1107811296 KTWBYNXGFRBUSD-IUODEOHRSA-N 311.382 -0.715 30 20 DBED C#CCCN1CCO[C@](C)(CNC(=O)CCNC(=O)NC)C1 1107920415 SMHIIDQPQNLJFN-OAHLLOKOSA-N 310.398 -0.464 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)CC2CS(=O)(=O)C2)C1 1108038014 LVNOOACJARHXHF-AWEZNQCLSA-N 314.407 -0.739 30 20 DBED C=CCCCN1CCO[C@@](C)(CNC(=O)[C@H]2CNC(=O)N2)C1 1108169775 XCGMROBYCZCRSM-DOMZBBRYSA-N 310.398 -0.159 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)c1cnc2[nH]nnc2c1 1108181243 OMVMDGARGRLETH-MRVPVSSYSA-N 323.320 -0.333 30 20 DBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H](C)NC(C)=O 1108887881 WEKUPCIDLOGHCT-GHYVTOPFSA-N 322.409 -0.465 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cc[nH]n1 1110302477 GEUXKTMESQKFRX-RTXFEEFZSA-N 301.350 -0.506 30 20 DBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H]1CCC(=O)N1 1110381602 ONIJPFNIDYIMQF-LPWJVIDDSA-N 320.393 -0.711 30 20 DBED CSCC(=O)N(C)[C@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1111168985 XRJPJNQFTAXTCF-QWRGUYRKSA-N 307.379 -0.281 30 20 DBED CC(=O)N(C)CC(=O)N(CCO)CCNc1cncc(C#N)n1 1111442084 YWTHZSJRJBSASU-UHFFFAOYSA-N 320.353 -0.941 30 20 DBED CNC(=O)CC(=O)N[C@H]1CCN(c2ccnc(C#N)n2)C[C@@H]1C 1112401154 XKWBHKWTZNUVAL-QWRGUYRKSA-N 316.365 -0.185 30 20 DBED CCOCCC(=O)NC[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1O 1112703057 XGDRPGZUTAOBFI-DGCLKSJQSA-N 319.365 -0.312 30 20 DBED CCCOCC(=O)NC[C@H]1CN(c2cncc(C#N)n2)C[C@H]1O 1112709505 KOURHUZLYQFEBB-WCQYABFASA-N 319.365 -0.312 30 20 DBED CN(C)CCC(=O)NC[C@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1112755067 LIDIHOTXWJUEFQ-RYUDHWBXSA-N 318.381 -0.787 30 20 DBED C[C@H](NC(=O)Cn1cncn1)[C@H](C)Nc1cncc(C#N)n1 1113030893 IEKFUZNRRUQAKI-UWVGGRQHSA-N 300.326 -0.055 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2c(C)n[nH]c2C)CC1 1113435323 AUHQRSCIASCRNZ-UHFFFAOYSA-N 303.366 -0.466 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)CCN2CCCCC2)CC1 1113682611 KHUCVWLRBKNCRT-UHFFFAOYSA-N 321.425 -0.354 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)CCCCC(=O)NC)CC1 1113706701 VNUJKVFYOHMUOB-UHFFFAOYSA-N 322.409 -0.814 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)c3cc(C)on3)[C@H]2C1 1113820224 VMNCARWGYZDIMY-QWRGUYRKSA-N 304.350 -0.055 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)c3c(C)n[nH]c3C)[C@H]2C1 1114978352 SRCUSEDNSWAYGN-RYUDHWBXSA-N 317.393 -0.011 30 20 DBED C#CCCCCNC(=O)C(=O)NC1CCN(CC(=O)NC)CC1 1117029146 XGDUFYJZXRCRAJ-UHFFFAOYSA-N 322.409 -0.767 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CC[C@@H](CC)C1 1117586235 DGSQAHSPRCTAFY-LLVKDONJSA-N 302.396 -0.038 30 20 DBED CN1CC(=O)N(CC(=O)NCC2(NCC#N)CCCCC2)C1=O 1120109842 INLNSYSGNSDJCP-UHFFFAOYSA-N 321.381 -0.187 30 20 DBED CCc1nc(C#N)cc(N[C@@H](CO)CNC(=O)[C@@H](C)C#N)n1 1121213110 MIBFLDFLAUSGOU-GXSJLCMTSA-N 302.338 -0.041 30 20 DBED C[C@@H](OCC1CC1)C(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1 1121278460 KHABRPSMRUYRNK-ZYHUDNBSSA-N 319.365 -0.526 30 20 DBED N#Cc1cnc(N[C@H](CO)CNC(=O)C2CCC(O)CC2)cn1 1121498204 UAOBPHVSOLPWGC-YDGIUTOCSA-N 319.365 -0.212 30 20 DBED COC[C@@H](C)CC(=O)NC[C@H](CO)Nc1cnc(C#N)cn1 1121985886 VAPAWKULPVFZDO-CMPLNLGQSA-N 307.354 -0.090 30 20 DBED Cc1cnn(C)c1C(=O)NC[C@@H](CO)Nc1ccc(C#N)nn1 1122342370 PCDFJHCRIHFCTG-NSHDSACASA-N 315.337 -0.407 30 20 DBED CCc1nc(C#N)cc(N[C@H](CO)CNC(=O)c2cnn[nH]2)n1 1122879846 GXLIRZOCKJEWQK-VIFPVBQESA-N 316.325 -0.768 30 20 DBED CC1(C)NC(=O)N(CCCNC(=O)N2CCO[C@@H](C#N)C2)C1=O 1123642672 PILSCHRUGOBAPE-JTQLQIEISA-N 323.353 -0.359 30 20 DBED CC(=O)NCC(=O)N1C[C@H](N=c2cc[nH]c(C#N)n2)C(C)(C)C1 1123896694 YKPDJTBQRAIUMG-NSHDSACASA-N 316.365 -0.445 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)[C@@H](C)n1cccn1 1123918970 SVSQQAGKGZEMRB-CYBMUJFWSA-N 320.397 -0.088 30 20 DBED CN(C[C@@H](O)CNc1ccc(C#N)nn1)C(=O)c1csnn1 1124627958 MAMZIJAUAWBZLR-VIFPVBQESA-N 319.350 -0.255 30 20 DBED C=CCOCC(=O)N(C)C[C@@H](O)CN(C)c1ccnc(C#N)n1 1124989435 WKUJVZTYBRXRJE-LBPRGKRZSA-N 319.365 -0.194 30 20 DBED COCCN(CCNC(=O)[C@@H]1CCOC1)c1nccnc1C#N 1126247127 HMDQDEWEUGHQEN-GFCCVEGCSA-N 319.365 -0.046 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)C[C@@](C)(O)C2CC2)C1 1128898180 SJKKQKZZYYKZRO-IJEWVQPXSA-N 317.393 -0.196 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H](C)CC(N)=O)C1 1129154803 YYHDKDPYEZVQDD-TUAOUCFPSA-N 306.370 -0.683 30 20 DBED C#CCOCCC(=O)N1C[C@H](n2ccnn2)[C@H](NCCCO)C1 1129838363 VYZJWNDGEFVTDR-KGLIPLIRSA-N 321.381 -0.958 30 20 DBED CCOCCOCC(=O)N1C[C@@H]2C[C@@H]3CN(CC#N)C[C@]2(C1)O3 1131291480 OXLPPVVWSWXGAB-SQWLQELKSA-N 323.393 -0.135 30 20 DBED C#CCCCC(=O)N1CCC(=O)NCCN([C@H](C)C(N)=O)CC1 1131357035 DSKIOYHMTGASFE-CYBMUJFWSA-N 322.409 -0.686 30 20 DBED C#CCN1CC[C@]2(C1)CN(C(=O)C(=O)NCC1CC1)C[C@H](C)O2 1131692594 JINOOPXOJDYWIE-GUYCJALGSA-N 319.405 -0.162 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)[C@H](CC)NC(C)=O)C1=O 1134175549 WEPFCWSDRCLGNH-QWHCGFSZSA-N 310.398 -0.606 30 20 DBED C=CCC[C@@H](C)NCCNC(=O)[C@H](C)NC(=O)Cn1cnnn1 1147051978 ZKRNBTTUFALKEB-NEPJUHHUSA-N 323.401 -0.762 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1cn(C)nc1Cl 1147533107 BCVIBMRPUCGSQJ-SECBINFHSA-N 311.773 -0.469 30 20 DBED COCC#CCN1CCCO[C@@H](CNC(=O)c2ncn(C)n2)C1 1149652684 DMOYWKKXPKBFJH-ZDUSSCGKSA-N 321.381 -0.714 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)c1ccn(C)n1 1151083995 KHLPINREKPPKAR-UHFFFAOYSA-N 305.382 -0.060 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H](C)N(CC)Cc1nonc1C 1152855071 WBWVLAJRANJVQP-LLVKDONJSA-N 321.381 -0.156 30 20 DBED C=CCO[C@H](C)C(=O)NCCNCC(=O)NC(=O)NCC 1153135234 OFCZEWSRTIPBJJ-SNVBAGLBSA-N 300.359 -0.871 30 20 DBED CC[C@H](C(=O)NC[C@@H](C)N(CC)CC(=O)NCC#N)N(C)C 1154013050 SLWOVYGVILRIKZ-CHWSQXEVSA-N 311.430 -0.207 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)Cc2cncnc2)C1=O 1157227347 YKTLDRIAXBTNDJ-AWEZNQCLSA-N 317.393 -0.098 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1ccnn1CCC 1158961351 YVVVEHDMUGUXKL-UHFFFAOYSA-N 305.382 -0.248 30 20 DBED C#CCNC(=O)CNCCCNC(=O)Cc1cnccc1OC 1160838866 NIRBIGPWSSWVAI-UHFFFAOYSA-N 318.377 -0.522 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)C12CCCN1CCC2 1161796033 XURUSRGBDIAIRQ-AWEZNQCLSA-N 320.437 -0.151 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)Cc1ncccc1F 1164588788 UXVUSILJWDVHAP-LBPRGKRZSA-N 320.368 -0.003 30 20 DBED CC#CCNCCCNC(=O)CS(=O)(=O)N(CC)CC 1167509323 NYJSHVDWRFWADN-UHFFFAOYSA-N 303.428 -0.223 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCCNCC(=O)NCC#N 1168100774 HCRQQRFEEPGNNL-JSGCOSHPSA-N 308.382 -0.297 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@@H]1CCc2nncn2C1 1176856657 MRMWPVGURNHUCQ-GFCCVEGCSA-N 320.397 -0.761 30 20 DBED N#CCNC(=O)CNCCCNC(=O)c1cc(C(N)=O)cs1 1177059681 NEQOVTPVXRQHFH-UHFFFAOYSA-N 323.378 -0.804 30 20 DBED C[C@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)Cc1ccon1 1178391428 LEUZYNLSLZNQMG-JQWIXIFHSA-N 305.338 -0.564 30 20 DBED CCOc1nc(C(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)co1 1183965068 NYIXNTGRCOFCFU-SNVBAGLBSA-N 321.337 -0.483 30 20 DBED CC#CCN[C@@H]1CCN(C(=O)CNC(=O)C2CCOCC2)C1 1186435195 GGKJHHFMOLPJQT-CQSZACIVSA-N 307.394 -0.257 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)C#CC(C)C)[C@@H]2C1 1187841449 ZTDLRZAMDOGBCA-LSDHHAIUSA-N 301.390 -0.072 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C[C@@H]2C=CCC2)C1 1190905456 VYYHTKBYRWMMHT-MGPQQGTHSA-N 307.394 -0.194 30 20 DBED COCC#CCN(C)[C@H]1CCN(C(=O)[C@H]2CCC(=O)N2C)C1 1191930207 DFQOJTUJPJRUOV-UONOGXRCSA-N 307.394 -0.210 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CN(CC(=O)NCC2CCC2)C[C@H]1O 1192769895 DBETWUNJIHALRW-HUUCEWRRSA-N 319.405 -0.523 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)CC2(COC)CC2)C1 1192834734 HKAPGMMMNSTVNT-ZIAGYGMSSA-N 310.394 -0.386 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)CNC(=O)CC2CCCC2)C1 1196924955 FUIDXPMQIDKQIT-HUUCEWRRSA-N 321.421 -0.133 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)C2(C(=O)N(C)C(C)C)CC2)C1 1197320316 XGOGFGLETSJMHI-ZIAGYGMSSA-N 321.421 -0.182 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)CNC(=O)c2ccsc2)C1 1198785729 QRQYOXQABDOVKK-VXGBXAGGSA-N 307.375 -0.728 30 20 DBED N#CCNC(=O)CNC1CCN(C(=O)C2CCOCC2)CC1 1199073222 NYRCWIUCGPDIQT-UHFFFAOYSA-N 308.382 -0.367 30 20 DBED C=CCCCN1C[C@@H](O)[C@H](NC(=O)[C@H](C)N2CCOCC2)C1 1199551360 LKRUDHXMMLJUKP-RRFJBIMHSA-N 311.426 -0.165 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCC(NCC(=O)N(C)C)CC1 1201093704 HQZRDYZPZLRBNT-HNNXBMFYSA-N 320.437 -0.247 30 20 DBED C#CCNC[C@@H]1CN(C(=O)[C@@H]2CCN(C(C)=O)C2)CCCO1 1201959597 VVOJAZGNTTWMAG-HUUCEWRRSA-N 307.394 -0.305 30 20 DBED N#CCNC(=O)CN[C@H]1C[C@H](NC(=O)c2cc[nH]n2)C12CCC2 1202472871 YQQYRGYYDUADNX-RYUDHWBXSA-N 316.365 -0.320 30 20 DBED CN(C)S(=O)(=O)CC(=O)N1CCC(CNCC#N)CC1 1206904856 QSLDCXDHWKKLKN-UHFFFAOYSA-N 302.400 -0.770 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)c2cnn(C)c2C)C1 1207305901 FJFAPMXYWKEILZ-ZDUSSCGKSA-N 317.393 -0.328 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)C2(COC)CC2)[C@H](C)C1 1207996259 GLPLWAZCYCYNHC-HZSPNIEDSA-N 321.421 -0.013 30 20 DBED Cn1ccc(CC(=O)N2CCC[C@H](NCC(=O)NCC#N)C2)n1 1208008920 NYWDUOMBMDCJAI-ZDUSSCGKSA-N 318.381 -0.817 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC[C@H](NCc2ncnn2C)C1 1208017667 DNFPHCAWSHTTTN-OLZOCXBDSA-N 305.382 -0.066 30 20 DBED C#CCN[C@@H]1CCCN(C(=O)C(C)(C)NS(C)(=O)=O)C1 1210018128 IQPNTTKVGUQHKS-LLVKDONJSA-N 301.412 -0.472 30 20 DBED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)C#CC(C)C 1212231187 PILYZFFMMMOVTI-CHWSQXEVSA-N 306.366 -0.899 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)CNC(=O)C1CCCC1 1212311061 GGDJMMDTGAPALU-CHWSQXEVSA-N 308.382 -0.368 30 20 DBED C=CCN1C[C@@H](NC(=O)CCCN2C(=O)CNC2=O)[C@H](OC)C1 1213833416 MRQTZDQOVOLEOQ-VXGBXAGGSA-N 324.381 -0.680 30 20 DBED COCC1(C(=O)N2C[C@@H](NCC(=O)NCC#N)[C@H](C)C2)CC1 1215139464 BQELXEFSGUASCF-VXGBXAGGSA-N 308.382 -0.511 30 20 DBED N#CCSCC(=O)N[C@@H]1CN(Cc2csnn2)C[C@@H]1O 1219219777 MNVIDCCQJGQTQM-ZJUUUORDSA-N 313.408 -0.544 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)/C=C\C(C)(C)C)C1 1219371646 YGIYNHLTFTTWQM-SJAXISAPSA-N 321.421 -0.112 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CN(CCCCCn2cncn2)C[C@@H]1O 1219381263 MKYKSDRXUVUDNY-MJBXVCDLSA-N 320.397 -0.231 30 20 DBED CC(C)(COCC(F)F)C(=O)N[C@@H]1CN(CC#N)C[C@@H]1O 1220070126 BEYQYECNEWSGNK-ZJUUUORDSA-N 305.325 -0.021 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)c2nn(CC)nc2C)C1 1221182337 QAILZBWJRFETLP-OLZOCXBDSA-N 323.397 -0.416 30 20 DBED C=CCOCCN[C@@H]1CCCN(C(=O)C[C@H]2CC(=O)NC2=O)C1 1222157292 LMJDSCUBNMWXBQ-CHWSQXEVSA-N 323.393 -0.178 30 20 DBED COCC#CCN1CCC(NC(=O)[C@H]2CCCNC2=O)CC1 1227907325 BURGESYINNPEPB-AWEZNQCLSA-N 307.394 -0.257 30 20 DBED COCC#CCN1CCC(NC(=O)[C@@H]2CCC(=O)NC2)CC1 1228114083 PNIGUQDWMHADTF-CYBMUJFWSA-N 307.394 -0.257 30 20 DBED CN(C[C@H]1CCN1CC(=O)NCC#N)C(=O)CN(C)C1CCC1 1235394470 TYZJWPFUWFUAGZ-CQSZACIVSA-N 321.425 -0.357 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)[C@H](C(C)C)N(C)C 1235589608 TZDFWIAWLFTUAT-ZBFHGGJFSA-N 322.453 -0.145 30 20 DBED CC(C)[C@@H](C(=O)N(C)C[C@H]1CCN1CC(=O)NCC#N)N(C)C 1235589829 UZXPMWYETYCQGL-HIFRSBDPSA-N 323.441 -0.255 30 20 DBED C#CCC[C@H](O)CNC(=O)C(=O)Nc1cccc(C(N)=O)c1 1256559936 IOMKZVKJAFELCG-LBPRGKRZSA-N 303.318 -0.386 30 20 DBED C[C@H](NC(=O)C(=O)N1CCO[C@H](C#N)C1)C1=CCN(C)CC1 1261181969 HTBMLZVVEPEGCC-WCQYABFASA-N 306.366 -0.496 30 20 DBED Cc1nc2ccc(NC(=O)C(=O)N3CCO[C@@H](C#N)C3)cn2n1 1261202716 ZRUZPUGNLFIUBK-NSHDSACASA-N 314.305 -0.273 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)C2(C)CCOCC2)C1 1267749700 NREKOIIKXJNBMU-CYBMUJFWSA-N 307.394 -0.257 30 20 DBED COCC#CCN[C@H]1CCN(C(=O)CN2CCCCC2=O)C1 1317059657 WEYPXHQYEIJMPK-AWEZNQCLSA-N 307.394 -0.161 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)NCc2nc(C3CC3)no2)CCO1 1321898127 ABLWOIDYILIROE-SECBINFHSA-N 305.294 -0.686 30 20 DBED C[C@@](C#N)(NC(=O)COC(=O)C1(S(N)(=O)=O)CC1)C1CC1 1326428892 ZMWJQQARYMMRNL-NSHDSACASA-N 315.351 -0.841 30 20 DBED C=CC[C@@H](NC(=O)C(=O)NCC(=O)NOCC)c1ccncc1 1327509504 VPMKOCAFPLOPHJ-GFCCVEGCSA-N 320.349 -0.001 30 20 DBED C=CCS(=O)(=O)CCNC(=O)NCc1cn(CC)nn1 1327533807 BSJDUXKHZWCFID-UHFFFAOYSA-N 301.372 -0.302 30 20 DBED C=C(CC)CNC(=O)C(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1 1328940901 COXILWDAWNHQPA-NSHDSACASA-N 317.411 -0.439 30 20 DBED COCC#CC(=O)NCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 1329128517 ITLQXSOYXUUSHC-IMIFBBOLSA-N 302.330 -0.441 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)NCCNC(=O)C1CC1 1330073406 BIRJVMCRFYDBLZ-GFCCVEGCSA-N 309.366 -0.827 30 20 DBED C=CCC1(O)CCN(C(=O)C(=O)N2CCN(C)C(=O)[C@@H]2C)CC1 1345497552 PHNSGFHISOQKIT-LBPRGKRZSA-N 323.393 -0.395 30 20 DBED COC1([C@H](C)NC(=O)C(=O)N2CC[C@](O)(CC#N)C2)CCC1 1345891565 AMTITZSTVXCCAA-SMDDNHRTSA-N 309.366 -0.063 30 20 DBED N#C[C@]1(F)CCN(C(=O)C(=O)NC[C@H]2CC(=O)N(C3CC3)C2)C1 1346251201 GDPSLNUCIXUNQL-MEBBXXQBSA-N 322.340 -0.422 30 20 DBED N#Cc1cncn(CC(=O)NCCCN2CCCC2=O)c1=O 1347319460 IHJSCVBENFVZPF-UHFFFAOYSA-N 303.322 -0.756 30 20 DBED C=CCOCCNC(=O)C(=O)N(CCOC)C1CCOCC1 1348698955 UNRRKYYRVYMTQV-UHFFFAOYSA-N 314.382 -0.041 30 20 DBED CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1349215233 RPSXUFUSVFRBBH-CJNGLKHVSA-N 322.409 -0.146 30 20 DBED C#CC1(O)CN(C(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)C1 1351988937 COZYIBWLKLECJS-MRVPVSSYSA-N 305.256 -0.461 30 20 DBED COc1ccc(N(C)C(=O)Cn2cc(C#N)c(O)nc2=O)cn1 1362169343 XMGKTDCDYHPZLV-UHFFFAOYSA-N 315.289 -0.113 30 20 DBED COC(=O)[C@@H](C)CN(C)C(=O)CCn1cc(C#N)c(O)nc1=O 1362251733 XKKZYPZXOFDKRW-VIFPVBQESA-N 322.321 -0.522 30 20 DBED N#Cc1cn(CC(=O)N[C@H](CO)C2CCCCC2)c(=O)nc1O 1362362296 RBGQIWMCCLFVHN-GFCCVEGCSA-N 320.349 -0.122 30 20 DBED C=C(Cl)CNC[C@@H](O)CNC(=O)[C@H](OC)c1cnn(C)c1 1367614366 VARHFIKDBFVYMR-VXGBXAGGSA-N 316.789 -0.073 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)[C@@H](NC(N)=O)C(C)(C)C)C1 1398651116 WYKVJRKNHKVSJZ-WCBMZHEXSA-N 309.370 -0.444 30 20 DBED C=C(Cl)CN[C@H](C)CCNC(=O)c1cn(CC(N)=O)nn1 1403497871 ZIZJLQRMMNPSIN-SECBINFHSA-N 314.777 -0.386 30 20 DBED CC(=O)NCC(=O)N[C@H](CNC(=O)c1cc(C#N)c[nH]1)C1CC1 1407623382 SNUBJHGXNFJKOP-CYBMUJFWSA-N 317.349 -0.353 30 20 DBED CNC(=O)[C@H](NC(=O)CN1CC(O)(CC#N)C1)c1ccccc1 1421724808 FFDLGQXAYWFUPV-CQSZACIVSA-N 316.361 -0.450 30 20 DBED N#Cc1ccccc1CN1CC[C@H]1CNC(=O)Cn1ncnn1 1423086314 AQOZTCVKJHSPEX-AWEZNQCLSA-N 311.349 -0.065 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](C)CCNC(=O)c1ccc(=O)n(C)n1 1429133933 PTQMDIIYZPEHTF-VHSXEESVSA-N 305.338 -0.435 30 20 DBED COC[C@@H](OC)C(=O)N[C@H]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 1494015831 OZSHUBFWAVUBCJ-NQBHXWOUSA-N 320.349 -0.075 30 20 DBED C[C@H](C#N)C(=O)NCC1CN(C(=O)CCn2ccccc2=O)C1 1498677453 JZVOELDMFJMTRH-GFCCVEGCSA-N 316.361 -0.027 30 20 DBED C=CCn1c(CCOC)nnc1N1CCO[C@@H](CNC(C)=O)C1 1520295586 CBYZLIHZYLLRTG-ZDUSSCGKSA-N 323.397 -0.006 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C(=O)[C@H]1CC(=O)N(C)C1)C1CC1 1529853392 KODLLNZMKLYDMY-QWRGUYRKSA-N 306.366 -0.268 30 20 DBED CCN(C[C@@H](C)C#N)C(=O)CN(CCC(=O)OC)CC(=O)O 1573875675 YDVCMFMCDANXKY-NSHDSACASA-N 313.354 -0.056 30 20 DBED CN1CCN(C2CN(C(=O)C3CC4(CNC[C@@H]4C#N)C3)C2)CC1 1578533745 WRHSOGPKRRLHBD-UUCFBXCCSA-N 317.437 -0.416 30 20 DBED C#C[C@H](CO)NCCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 1588327854 SGBGAHFULFFSBZ-LLVKDONJSA-N 321.362 -0.776 30 20 DBED C#CCNC(=O)Cn1cc2c(c(-c3nn[nH]n3)c1=O)CCCC2 1588354262 UDIXOBGWNIBRCB-UHFFFAOYSA-N 312.333 -0.343 30 20 DBED C=CCn1cc(CNC(=O)c2cccn(CC(=O)O)c2=O)nn1 1588474219 FYTPQJOWBOURIE-UHFFFAOYSA-N 317.305 -0.360 30 20 DBED CN(C(=O)c1c[nH]c(-c2nn[nH]n2)c1)C1CC(NCC#N)C1 1590989831 DNETXTYRCBAENN-UHFFFAOYSA-N 300.326 -0.089 30 20 DBED COC[C@@]1(C(=O)O)CN(C(=O)Nc2nn(C)cc2C#N)CCO1 1593978954 XOZWQVVUHLZPQO-CYBMUJFWSA-N 323.309 -0.374 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)NCCCCC(=O)O)CCN1C1CC1 1594605939 MRZWIAIMVYTVLM-LBPRGKRZSA-N 322.365 -0.444 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](CCC(=O)O)C2)CCO1 1594606521 YSYNHLBLSVHCJE-VXGBXAGGSA-N 323.349 -0.159 30 20 DBED CCO[C@@H]1C[C@](NC(=O)Cn2cnc(C#N)n2)(C(=O)O)C1(C)C 1596817145 BADRBOHGPJJDDR-OTYXRUKQSA-N 321.337 -0.076 30 20 DBED COC(=O)[C@H]1CC[C@@H](C(=O)O)CN1C(=O)Cn1cnc(C#N)n1 1598764977 GNQCWOQGBRRISI-RKDXNWHRSA-N 321.293 -0.985 30 20 DBED Cc1c(NC(=O)C(=O)N(C)C[C@@H](C)C#N)cnn1CC(=O)O 1600023259 HKEPRSGLMYPUBH-QMMMGPOBSA-N 307.310 -0.167 30 20 DBED N#Cc1ccc(CC(=O)N2CCNC(=O)[C@@H]2CC(=O)O)cc1 1601098333 MDSLAXAGFKWYDX-LBPRGKRZSA-N 301.302 -0.098 30 20 DBED N#Cc1c(-c2nn[nH]n2)nc(N)n1Cc1nnc2n1CCCC2 1606355679 LCBAWVNXBBJVEA-UHFFFAOYSA-N 311.313 -0.507 30 20 DBED C#CCNC(=O)CNC[C@H]1CCCN1C(=O)c1c(C)cnn1C 1723931194 LMELFLIAIAYSTA-CYBMUJFWSA-N 317.393 -0.328 30 20 DBED C[C@@H](NCC#N)[C@H]1CCCCN1C(=O)CN1C(=O)CN(C)C1=O 1752157203 ODUPBLRSCQIRAQ-VXGBXAGGSA-N 321.381 -0.237 30 20 DBED C=CCCN1CCN(CCCNC(=O)C2(C(N)=O)CC2)CC1 1752352495 NWYWWSMTSOPRIC-UHFFFAOYSA-N 308.426 -0.048 30 20 DBED COCC#CCN[C@@H](CNC(=O)[C@@H](C)n1cncn1)C1CC1 1752460930 WKTNJFXFSRLNJX-OCCSQVGLSA-N 305.382 -0.027 30 20 DBED N#CCNC(=O)CN1CC[C@@H](CNC(=O)c2ccccn2)C1 1753118208 IGSHHLLJDHINIK-LBPRGKRZSA-N 301.350 -0.227 30 20 DBED CNC(=O)NC(=O)CNCCN(C)C(=O)c1ccc(C#N)[nH]1 1753182168 LIWPPHJIHAMHBB-UHFFFAOYSA-N 306.326 -0.996 30 20 DBED C#CCNC(=O)CN[C@H](CNC(=O)c1cc(C)ncn1)C(C)C 1753827946 ZOBAAJDPZLBKKS-CQSZACIVSA-N 317.393 -0.122 30 20 DBED C#CCCNC[C@@H]1CCC[C@@H]1NC(=O)CCCS(N)(=O)=O 1753896028 RZKIEKPYBWANMJ-STQMWFEESA-N 315.439 -0.047 30 20 DBED C[C@@H](C(=O)NC/C=C\CNCC(=O)NCC#N)n1cccn1 1754097524 TZOJOADZYGNURL-DLGQBQFBSA-N 304.354 -0.654 30 20 DBED CCN1CCO[C@@H](C(=O)N(C)CCCNCC#CCOC)C1 1754414907 QJBWGHZOUXSYOG-OAHLLOKOSA-N 311.426 -0.205 30 20 DBED C#CCNC(=O)CNC1(CNC(=O)CC2CCN(C)CC2)CC1 1754527363 FWFKVKBBKTVIAE-UHFFFAOYSA-N 320.437 -0.294 30 20 DBED C[C@H]1C[C@H](NCC(=O)NCC#N)CCN1C(=O)c1ncc[nH]1 1754592812 HDHBDLDOACEEAQ-WDEREUQCSA-N 304.354 -0.368 30 20 DBED C#CCCNC1CCN(CCNC(=O)CCn2cnnn2)CC1 1754849828 ILIVZGIRYMHOCL-UHFFFAOYSA-N 319.413 -0.743 30 20 DBED C#CCCN[C@@]1(CO)CCCN(C(=O)C[C@@H]2CCC(=O)NC2)C1 1755082860 FAYOIXYHSQHKMW-YOEHRIQHSA-N 321.421 -0.131 30 20 DBED Cc1ccn(CC(=O)N2CCC(O)(CNCC#N)CC2)c(=O)c1 1755153548 HVYBUOVYMSNMSX-UHFFFAOYSA-N 318.377 -0.377 30 20 DBED C=CCN1CCCCC[C@@H]1CNC(=O)CNS(=O)(=O)NC 1755366619 UTAKSDZGNUOOCI-GFCCVEGCSA-N 318.443 -0.413 30 20 DBED CC#CCN[C@H](CO)CNC(=O)c1cnc2c(c1)nnn2C 1755633294 RDSHWLRYBCNYHS-NSHDSACASA-N 302.338 -0.933 30 20 DBED COCC#CCN[C@H](CO)CNC(=O)[C@H](C)Cc1cnn(C)c1 1755643204 GSHWYDLEYRWJKT-HIFRSBDPSA-N 322.409 -0.685 30 20 DBED COCC#CCN1CCC[C@@H](NC(=O)CCn2cnnn2)[C@H]1C 1755723190 QOQQIMKWUDKOMO-ZIAGYGMSSA-N 320.397 -0.318 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@H](O)CN(C)C(=O)c1ccsc1 1755771754 RSJUOGGZJOXOJN-YPMHNXCESA-N 323.418 -0.092 30 20 DBED C=CCNC[C@H](O)CN(C)C(=O)[C@]1(C)CCCS1(=O)=O 1755791365 JUGFBDWSPXDCKQ-AAEUAGOBSA-N 304.412 -0.451 30 20 DBED C#CCO[C@H](C)C(=O)N(C)[C@@H](C)CNC(=O)CC(=O)NCC 1756019753 DKIMFNZOWDVDBJ-NWDGAFQWSA-N 311.382 -0.486 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@H](NC(=O)CC(N)=O)C(C)(C)C1 1756178844 OGOOUQMRTMVSPR-QWRGUYRKSA-N 309.366 -0.747 30 20 DBED C[C@H](CN(C)C(=O)C#CC(C)(C)C)NC(=O)Cn1cnnn1 1756451350 XAOWXSLSQZPWGY-LLVKDONJSA-N 306.370 -0.314 30 20 DBED COC(=O)C(C)(C)CS(=O)(=O)N[C@@H](CCC#N)C(=O)O 1777100920 HCLFIBAOZJACKX-QMMMGPOBSA-N 306.340 -0.138 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccnc(C)n1)CCO2 1783050507 VYQCTLRPTWNYCV-MRXNPFEDSA-N 314.345 -0.138 30 20 DBED CN(C)C(=O)C(=O)N1CC2(CCCN2C(=O)C2(C#N)CC2)C1 1842807502 KFHVACFQLCFTIN-UHFFFAOYSA-N 304.350 -0.418 30 20 DBED N#CC1(C(=O)N2CCCC23CN(C(=O)Cn2cncn2)C3)CC1 1842807561 QGEZKUWUFZNNIV-UHFFFAOYSA-N 314.349 -0.215 30 20 DBED C#CCCC(=O)N1CCCC12CN(C(=O)CC[C@@H](N)C(N)=O)C2 1846995639 BWVYKNGQWMXJRH-GFCCVEGCSA-N 320.393 -0.804 30 20 DBED COCCOCCOC(=O)CCC(=O)ON1C(=O)CCC1=O 1857523683 DVDUUPXJHDOLNX-UHFFFAOYSA-N 317.294 -0.420 30 20 DBED Cn1c(Sc2nnnn2C2CC2)c(C#N)c(=O)n(C)c1=O 13105298 LRIIXPWYPRFCFU-UHFFFAOYSA-N 305.323 -0.572 30 20 DBED CCN(CCC#N)[C@@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O 81040426 LZGINCAYSFXNQQ-VIFPVBQESA-N 307.354 -0.527 30 20 DBED N#C[C@H]1CN(C(=O)Cn2c(=O)[nH]c3ccccc3c2=O)CCO1 106048430 GAIPWSMAXVSDBJ-JTQLQIEISA-N 314.301 -0.559 30 20 DBED Cn1c(=O)ccn(CC(=O)Nc2ccn(CCC#N)n2)c1=O 117716337 PORRQHOFAGDTKD-UHFFFAOYSA-N 302.294 -0.704 30 20 DBED N#Cc1ccc(S(=O)(=O)N2CCN3C(=O)CC[C@H]3C2)cn1 127561820 QBVVILKFAXDCMC-NSHDSACASA-N 306.347 -0.051 30 20 DBED C#CCN1CCN(C(=O)CSc2n[nH]c(=O)n2CC=C)CC1 163672370 QPLNERKVQVSTJW-UHFFFAOYSA-N 321.406 -0.373 30 20 DBED N#Cc1ccc(S(=O)(=O)N2CCN(CCO)CC2)s1 230335499 HOUOGYQRXNKHHI-UHFFFAOYSA-N 301.393 -0.082 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H]2C(=O)O)C1=O 262181146 WQNPLZINVDBMIZ-MRVPVSSYSA-N 309.278 -0.961 30 20 DBED COC[C@@H](C)N/C(N)=N/Cc1ccc(OCC(N)=O)c(OC)c1 264136249 ZSMKSLYVRNEJIF-SNVBAGLBSA-N 324.381 -0.002 30 20 DBED COC(=O)CN(CC(=O)N[C@](C)(C#N)C1CC1)CC(=O)OC 264533766 MMXBXLQXYPMNLW-CQSZACIVSA-N 311.338 -0.557 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCc2cccn2C)C1=O 266490828 SLIBCRYIUSDUTP-UHFFFAOYSA-N 304.306 -0.382 30 20 DBED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CCNC(=O)C2)n1 271523170 DAKAUGKBAKIFHO-UHFFFAOYSA-N 318.337 -0.593 30 20 DBED C=CCN1CC[C@H](N2C(=O)N[C@@](C)(c3cnn(C)c3)C2=O)C1=O 281004521 NXRDYEDIMVOENC-NHYWBVRUSA-N 317.349 -0.026 30 20 DBED COc1nccc(N/C(O)=N/CCN2CCCS2(=O)=O)n1 328742898 NDQHJCDZVJCJFU-UHFFFAOYSA-N 315.355 -0.153 30 20 DBED C=CCN(C(=O)[C@H]1CN(C)CCO1)[C@@H]1CCS(=O)(=O)C1 328824467 RMWDPTAKHPXAEJ-VXGBXAGGSA-N 302.396 -0.481 30 20 DBED CN(C)C(=O)Cn1cnc(N/C(O)=N/[C@]2(C)CCCOC2)n1 329157784 WLRVTVNVOXFSHJ-CYBMUJFWSA-N 310.358 0.261 30 20 DBED C[C@H](/N=C(/O)N[C@@H]1CS(=O)(=O)C[C@@H]1C)C(=O)N1CCCC1 329671835 SFUDQRQAFXFIDW-GARJFASQSA-N 317.411 -0.066 30 20 DBED CS(=O)(=O)[C@@H]1CCN(C(=O)CNc2ccc(C#N)cn2)C1 330384404 RFRMEBMSLJAQIS-LLVKDONJSA-N 308.363 0.011 30 20 DBED C[C@H](C(=O)N(C)CCC#N)N1CCO[C@H](Cn2cncn2)C1 330649753 JFPXLJZSAUZADX-OLZOCXBDSA-N 306.370 -0.261 30 20 DBED CNS(=O)(=O)c1ccc(N=C(O)N2CC[C@@H](CO)C2)nc1 331179991 RDJJPBYYWRYKHP-SECBINFHSA-N 314.367 -0.151 30 20 DBED CC(=O)N[C@@H](CC(=O)NCC#Cc1cccc(F)c1)C(N)=O 338241192 LUKKMPLBMFSAAV-ZDUSSCGKSA-N 305.309 -0.327 30 20 DBED N#Cc1cccc(CNC(=O)C(=O)N2CCn3ncnc3C2)c1 340151965 ZEOOXZUPVSJDSX-UHFFFAOYSA-N 310.317 -0.192 30 20 DBED CCN(C(=O)Cn1cccc(C#N)c1=O)[C@@H]1CCS(=O)(=O)C1 342687291 MNHPSNPLQNQXSB-GFCCVEGCSA-N 323.374 -0.244 30 20 DBED N#CCNC(=O)CNC(=O)COCCNC(=O)c1ccccc1 343535049 GBUCLZZLADMPBV-UHFFFAOYSA-N 318.333 -0.811 30 20 DBED C=CCNC(=O)CNC(=O)N1CCC(NC(=O)C2CC2)CC1 346842834 BWLCIXXMGBCQQD-UHFFFAOYSA-N 308.382 -0.011 30 20 DBED C=CCSCCNC(=O)C(=O)N(C)[C@@H](C)CS(C)(=O)=O 355290046 FBHQJVMGYKCBNX-JTQLQIEISA-N 322.452 -0.087 30 20 DBED N#Cc1ccc(NC(=O)C(=O)NCCn2ncnn2)cc1Cl 359386488 XNUJKRMAGSUMRK-UHFFFAOYSA-N 319.712 -0.047 30 20 DBED N#CCNC(=O)CNC(=O)N[C@H]1CCN(c2ncccc2F)C1 376387672 WYJJXWDHBJOASK-JTQLQIEISA-N 320.328 -0.262 30 20 DBED CNS(=O)(=O)c1cc(C(=O)Nc2n[nH]c(C)c2C#N)co1 431708084 BXOYOYRAXXCAKV-UHFFFAOYSA-N 309.307 0.343 30 20 DBED COC[C@](C)(C#N)NC(=O)c1cnc2c(c1)c(O)nc(=O)n2C 433976914 PSCLBEYRLBVFGS-AWEZNQCLSA-N 317.305 -0.307 30 20 DBED C[C@H]1CN(S(=O)(=O)N(C)[C@@H](C)CC#N)C[C@@H](C)N1CCO 451886175 CKSUPHTVWHTNGS-RWMBFGLXSA-N 318.443 -0.148 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2cccnc2F)CC1 491192011 KEKQFEIBZUCIJR-UHFFFAOYSA-N 304.325 -0.272 30 20 DBED Cc1c([C@@H](NS(=O)(=O)N(C)CCC#N)C(=O)O)cnn1C 530435285 NHXWYZGDFFPNNL-SNVBAGLBSA-N 315.355 -0.466 30 20 DBED CNC(=O)NC(=O)[C@H](C)N1CCN(c2cnccc2C#N)CC1 565458151 JCWUFLAPTSLQPW-NSHDSACASA-N 316.365 -0.081 30 20 DBED CC[C@H]1C[C@@H](C(=O)N2CCN(C(=O)CC#N)CC2)CC(=O)N1 583152476 VXIQVPAGQAWXGD-NEPJUHHUSA-N 306.366 -0.124 30 20 DBED CS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1n[nH]c(C2CC2)c1C#N 588769563 KNLSBXCVYSXNHA-SNVBAGLBSA-N 323.378 0.521 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN(CC(=O)NC)CC1 611997941 GQSWHKRPRMMSKA-CYBMUJFWSA-N 310.398 -0.653 30 20 DBED CCCC(C)=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 771889573 AXUYITUYICUSQO-UHFFFAOYSA-N 302.356 -0.462 30 20 DBED CC[C@H](C)C(C)=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 771893006 WMQXSSCOCYTJMP-QMMMGPOBSA-N 316.383 -0.216 30 20 DBED C[C@H](OC(=O)[C@@H](C)S(C)(=O)=O)C(=O)NC1(C#N)CCC1 787650957 JRSKWYYKZWDPSW-DTWKUNHWSA-N 302.352 -0.086 30 20 DBED C#CCCCNC(=O)C(=O)NCCCN1CCC[C@H](C(N)=O)C1 804065508 QAFSKUVTICLGNI-ZDUSSCGKSA-N 322.409 -0.780 30 20 DBED N#CCCNC(=O)COC(=O)Cc1cccc(-c2nn[nH]n2)c1 822811321 VZSXPUDYHXNLIE-UHFFFAOYSA-N 314.305 -0.018 30 20 DBED C#CCO[C@H](C)C(=O)NCC#CCNC(=O)[C@@H](C)OCC#C 828183934 OOBYPKMNIMCDOS-ZIAGYGMSSA-N 304.346 -0.701 30 20 DBED C#CC[C@H](NC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)C(=O)OC 837931537 NVELVVGPTKYAAO-SRVKXCTJSA-N 320.345 -0.157 30 20 DBED CC[C@]1(C)NC(=O)N(N=Cc2cn(C)c(=O)n(C)c2=O)C1=O 839397816 HXHRSDXINFBRCB-ZDUSSCGKSA-N 307.310 -0.862 30 20 DBED N#Cc1cccnc1NCCNC(=O)C1(S(N)(=O)=O)CC1 845285970 PSFBDQNQAGJFPX-UHFFFAOYSA-N 309.351 -0.698 30 20 DBED COCCn1cc(C(=O)N[C@@H]2CCCN(O)C2=O)ccc1=O 848139261 UACHZYCDZOPLBA-LLVKDONJSA-N 309.322 -0.395 30 20 DBED COC(=O)C1(C(=O)COC(=O)[C@@H](C)n2cnc(C#N)n2)CC1 848753088 FRHOQHFCWYICJW-MRVPVSSYSA-N 306.278 -0.224 30 20 DBED COC(=O)N(C)CCNC(=O)C(=O)Nc1cccc(C#N)n1 850673020 ZSTFNIDDQGWFRW-UHFFFAOYSA-N 305.294 -0.294 30 20 DBED CC(C)(C)OC(=O)N[C@H](CO)C(=O)N1CC[C@@](O)(CC#N)C1 862098895 HUMWZTOWDJMOKP-YGRLFVJLSA-N 313.354 -0.251 30 20 DBED C#CCOCCC(=O)N1C[C@@H](C(=O)OC)CC[C@H]1C(=O)OC 862823009 CKRSOGBDJITTEX-RYUDHWBXSA-N 311.334 -0.021 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)NCc1cnn(C)c1C 875199639 PSOGZCUAVFRDOQ-ZDUSSCGKSA-N 306.366 -0.111 30 20 DBED C#CC[C@@H](CCOC)NC(=O)CN1CCCCS1(=O)=O 880876408 VJXVQQCQRZFDMR-LBPRGKRZSA-N 302.396 -0.043 30 20 DBED C#CC1(O)CN(Cc2cc(OC)c(OCC(N)=O)c(OC)c2)C1 898144109 OJRMKYQCRIGZAV-UHFFFAOYSA-N 320.345 -0.252 30 20 DBED CNC(=O)[C@@H](C#N)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 917004917 DLDOJSGNHAWXCA-VIFPVBQESA-N 321.314 -0.714 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCN2C(C)C)CC1 931874760 PXWXHUQBDBBANP-HNNXBMFYSA-N 320.437 -0.247 30 20 DBED COC(=O)[C@@H]1C[C@@H]1C(=O)N(C)C1CN(C(=O)C#CC2CC2)C1 953873592 MAXUNCRFGDWGDX-QWHCGFSZSA-N 304.346 -0.122 30 20 DBED C[C@H](C#N)C(=O)N1CCC(C)(NC(=O)[C@H]2CNC(=O)N2)CC1 956473126 NSJOISJXKIJRBL-NXEZZACHSA-N 307.354 -0.675 30 20 DBED COc1cc(C(=O)NC[C@H]2CN(CC#N)C[C@@H]2O)cc(OC)n1 958219250 ICIABRSOTCHEJO-RYUDHWBXSA-N 320.349 -0.355 30 20 DBED N#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cnc(C3CC3)nc2O)C1 958467945 PLBIFTDGGWERLU-CMPLNLGQSA-N 317.349 -0.394 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2CN(C(=O)COC)C[C@@H]2C)nn1 959324419 LLLHGOJCVWYFPV-NWDGAFQWSA-N 321.381 -0.065 30 20 DBED C=C(C)CCN1C[C@H]2C(NC(=O)CN3CCOCC3=O)[C@@H]2C1 960307928 NZAWBOHDLQUBGB-CHWSQXEVSA-N 307.394 -0.142 30 20 DBED C=CCN1CC[C@@H](N2C[C@H]3[C@H](NC(=O)c4cnn[nH]4)[C@H]3C2)C1=O 960742910 NGPZVOWECJWODS-DNIRFERGSA-N 316.365 -0.748 30 20 DBED CC#CCN1C[C@H]2[C@H](NC(=O)[C@H]3CCCCN3C(N)=O)[C@H]2C1 962271351 MTFPFQJOYHFALN-RQJABVFESA-N 304.394 -0.011 30 20 DBED C=CCCN1C[C@H]2[C@H](NC(=O)[C@H]3COCCN3C(C)=O)[C@H]2C1 962622784 ZTSGBMNTHQKVQL-BARDWOONSA-N 307.394 -0.144 30 20 DBED NC(=O)C(=O)N1CCC2(CC1)CN(C(=O)C#CC1CC1)CCO2 967693816 RKIJEMQQZURQCZ-UHFFFAOYSA-N 319.361 -0.895 30 20 DBED C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2cnc(O)n(C)c2=O)C1 967700105 FVRIZVHIVWEZOH-AAEUAGOBSA-N 318.377 -0.051 30 20 DBED C=CCN1CC[C@H](N[C@@H]2CCN(C(=O)c3cnn[nH]3)C2)C1=O 969180949 XMBNRTFBBHMGSY-MNOVXSKESA-N 304.354 -0.604 30 20 DBED C#CCN1CC([C@H](C)NC(=O)c2cn(CC(=O)N(C)C)nn2)C1 970928903 OFLBEUFGAGPXMM-NSHDSACASA-N 318.381 -0.950 30 20 DBED C#CCN(C)[C@@H]1CCN(C(=O)C2CC3(C2)CS(=O)(=O)C3)C1 971783900 GFSWGQHNHUJOFC-CYBMUJFWSA-N 310.419 -0.023 30 20 DBED NC(=O)C1(C(=O)N2CC[C@@H]3CN(C(=O)C#CC4CC4)[C@@H]3C2)CC1 972086057 HJHWHDBGHDURCM-CHWSQXEVSA-N 315.373 -0.275 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)c3cnnn3CC)C2)C1 972372697 CLHKTBNDBMTJAZ-OAHLLOKOSA-N 303.366 -0.152 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)[C@@H]3CC(=O)N(C)C3)C2)C1 972406219 DQOMNXPXTAQNNK-CZUORRHYSA-N 305.378 -0.599 30 20 DBED N#Cc1cc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CCC(=O)N3)C2)c[nH]1 974048744 BNHCIAZPHJVKDP-UMNHJUIQSA-N 315.333 -0.458 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CCC[C@H](NC(=O)C(N)=O)C2)c[nH]1 983566840 BKVKKDQNQCTQGA-ZJUUUORDSA-N 303.322 -0.471 30 20 DBED O=C(N[C@@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1O)c1ccnnc1 991818152 GMAKMJQXELHETE-KGLIPLIRSA-N 314.345 -0.418 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NC1CN(C(=O)c2cnon2)C1 992067981 UNYRLKHPDWMMIW-PWSUYJOCSA-N 306.322 -0.009 30 20 DBED C#CCN1CCC[C@@H](NC(=O)CN2CCCS2(=O)=O)[C@@H]1C 993424750 ZBENYVUWQADYPF-QWHCGFSZSA-N 313.423 -0.376 30 20 DBED C[C@@H](C#N)C(=O)N1CC(N2C[C@@H](NC(=O)CC3CC3)CC2=O)C1 995466750 XYLNCTLRQDPNEI-JQWIXIFHSA-N 318.377 -0.126 30 20 DBED CC(=O)N1CC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H](C)C#N)C1 996170265 YVJXZJKTYFWJMT-VZLIPTOUSA-N 318.377 -0.128 30 20 DBED C=C(Cl)C(C)(C)C(=O)N1CC(NC(=O)[C@H]2CNC(=O)N2)C1 998667970 CEOQBHOEVUVYQX-SECBINFHSA-N 314.773 -0.227 30 20 DBED CN(C(=O)[C@@H]1CCc2nnnn2CC1)C1CC(NCC#N)C1 999435576 BAHVJUPZJWPLBU-VOMCLLRMSA-N 303.370 -0.272 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C(=O)c2ccc3nn[nH]c3n2)CC1 1011277291 LYWMBIZMGSNANH-SECBINFHSA-N 313.321 -0.203 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1 1011321091 IBKYVHVETLGRAZ-YNEHKIRRSA-N 308.382 -0.464 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C(=O)[C@H]2CCCCC(=O)N2)CC1 1012330946 OQZJUVAIYDGABS-NWDGAFQWSA-N 306.366 -0.124 30 20 DBED C#CCCN1CC[C@H](NC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1 1015695654 NAVYGLDCFFFTOL-MJBXVCDLSA-N 307.394 -0.164 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCN(Cc3cn(C)nn3)C2)nn1 1015811419 GFPMPOSELCZWNH-NSHDSACASA-N 316.369 -0.403 30 20 DBED O=C1CC[C@H](N2C[C@@H]3CC[C@H](C2)N3C(=O)C#CC2CC2)C(=O)N1 1017541945 NEUFGPWVWXKJOR-MJBXVCDLSA-N 315.373 -0.120 30 20 DBED CC(=O)N1CCN([C@@H]2CCCN(C(=O)[C@H](C)C#N)C2)C(=O)C1 1017876585 XWQRWPJMDHFJRC-DGCLKSJQSA-N 306.366 -0.172 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2CC[C@@H](C)N(C(=O)C(N)=O)C2)cn1 1018296598 BWYYGUAPKAGPSC-MFKMUULPSA-N 314.345 -0.343 30 20 DBED CN1CCN(CC(=O)NC2C[C@@H]3CC[C@H](C2)N3CC#N)CC1=O 1021302471 JYSWMAVICCPHQC-AGUYFDCRSA-N 319.409 -0.604 30 20 DBED C#CCN[C@@H]1CC[C@@H]2CN(C(=O)C3CC(=O)NC(=O)C3)C[C@@H]21 1026374699 INCWHABUFAMJMS-KGYLQXTDSA-N 303.362 -0.501 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H](N(C)CCN2C(=O)CNC2=O)C1 1027330386 OSHBBEAYINEFNV-NWDGAFQWSA-N 321.381 -0.379 30 20 DBED C#CCN1CC[C@H](CNC(=O)c2cn(C[C@@H]3CCOC3)nn2)C1 1028900338 ZXOKSGBWMSIYCY-KGLIPLIRSA-N 317.393 -0.001 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)c3cncnc3)C2)C1=O 1030242017 IYNXFBUNAAIAOE-ZDUSSCGKSA-N 301.350 -0.323 30 20 DBED N#CCN1CCO[C@@H](CNC(=O)[C@H]2CCc3ncncc3C2)C1 1035391368 HPEZICGGDNDYKS-JSGCOSHPSA-N 315.377 -0.078 30 20 DBED C#CCCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)Cc1c(C)nc(O)nc1O 1037634507 GQCVQCMQBKZHLV-SCDSUCTJSA-N 316.361 -0.049 30 20 DBED C#CCCCC(=O)NC[C@@]1(O)CCN(C(=O)CN(C)C(C)=O)C1 1039574189 OUSJKJHJMRJTJU-INIZCTEOSA-N 323.393 -0.652 30 20 DBED C[C@@H]1CCN(C(=O)C(N)=O)C[C@@H]1CN=c1cc[nH]c(C#N)n1 1039887654 JHEJRPHFKMPNKD-ZJUUUORDSA-N 302.338 -0.848 30 20 DBED N#CCN1[C@H]2CCC[C@H]1CN(C(=O)[C@H]1CCS(=O)(=O)N1)C2 1040009026 XJHWKZWAEXPRQL-SDDRHHMPSA-N 312.395 -0.733 30 20 DBED C=CC(C)(C)C(=O)NC[C@]1(O)CCN(C(=O)c2nnn(C)n2)C1 1040491248 QLTCADAFUUDPIT-CQSZACIVSA-N 322.369 -0.885 30 20 DBED C#CCCCCC(=O)N1CC[C@@](O)(CNC(=O)c2nc[nH]n2)C1 1040546989 NQXFUAGMLWJPEL-OAHLLOKOSA-N 319.365 -0.309 30 20 DBED C[C@@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)CCCCC(N)=O)C1 1040760953 QSHQQYDLYIIGKY-XHDPSFHLSA-N 324.381 -0.729 30 20 DBED CC(=O)CCCC(=O)N1CC[C@@](O)(CNC(=O)[C@@H](C)C#N)C1 1040762385 HZXPHJQMRAHIAH-XHDPSFHLSA-N 309.366 -0.015 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(O)(CNC(=O)COC)C1 1041164579 DOQZGBZBYQBJGS-AAEUAGOBSA-N 312.366 -0.697 30 20 DBED Cn1cncc1C(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1O 1041228630 YTTSCSOXYRFTCT-TZMCWYRMSA-N 312.333 -0.334 30 20 DBED C=C(C)CCC(=O)NCC1(O)CN(C(=O)C[C@H]2COC(=O)C2)C1 1043311078 OFQHTYGFCOQWMQ-GFCCVEGCSA-N 324.377 -0.015 30 20 DBED CCOc1cc(C(=O)NCC2(O)CN(C(=O)[C@@H](C)C#N)C2)[nH]n1 1043590825 FFSIOIFSNUIYRB-VIFPVBQESA-N 321.337 -0.729 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)CC[C@H]2CCCN2C)C1 1043659159 GXDGXAXFXUAXPA-CHWSQXEVSA-N 322.409 -0.290 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)C[C@@H]2CCC(=O)N2)C1 1043843808 FMJGVISEEOMOHQ-NSHDSACASA-N 309.366 -0.689 30 20 DBED C=C(C)CCN1CC(N(C)C(=O)CN2CC(=O)N(C)C2=O)C1 1044181492 YAHBWYWKIYDGCK-UHFFFAOYSA-N 308.382 -0.011 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)N(CC(N)=O)C3)[nH]1 1047055336 SIEVDFSGWUGWQC-DLOVCJGASA-N 301.350 -0.046 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccnc3[nH]nnc23)C1 1047452752 USKJZCAFRAJFTM-QWRGUYRKSA-N 300.322 -0.897 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)COCCC)C1 1048492739 WFALHJPJVRLGAM-STQMWFEESA-N 314.382 -0.354 30 20 DBED C[C@@H](NC(=O)CC(N)=O)[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 1050404021 MWGHVVKQAUAJHU-KOLCDFICSA-N 317.349 -0.271 30 20 DBED C[C@@H]1[C@@H](NC(=O)Cn2ncnn2)CCN1c1ccc(C#N)nc1 1050639681 SYWSIPHWMIGAFM-MFKMUULPSA-N 312.337 -0.277 30 20 DBED C#CCCN1CCOC[C@H]1CNC(=O)c1cn(C)ccc1=O 1051016591 KSBMGPUCWHYKCM-CYBMUJFWSA-N 303.362 -0.161 30 20 DBED C=CCCOCC(=O)N1CC[C@H]([C@H](C)NC(=O)CC(N)=O)C1 1051017883 NTZOWEICBVUSBC-RYUDHWBXSA-N 311.382 -0.192 30 20 DBED CCN1CC[C@H](NC[C@H]2CN(C(=O)C#CC3CC3)CCO2)C1=O 1051609437 SPPWRDWDZUWRBI-GJZGRUSLSA-N 319.405 -0.162 30 20 DBED N#CCN1CC2(C1)CN(C(=O)c1cn3c(n1)CCC3)CCO2 1053261235 WZVWKYUKGWBSJW-UHFFFAOYSA-N 301.350 -0.120 30 20 DBED C#CCCN1CC2(CC[C@@H](CNC(=O)c3cc(=O)n(C)o3)O2)C1 1053594683 QFCOZUUKDVFKCZ-LBPRGKRZSA-N 319.361 -0.035 30 20 DBED C#CCN1CC2(CC[C@@H](CNC(=O)c3cn(C)ccc3=O)O2)C1 1053631348 VIHMSBXZHHHWEC-ZDUSSCGKSA-N 315.373 -0.018 30 20 DBED C=C(Cl)CN1CC2(C[C@@H](NC(=O)[C@H]3CCC(=O)N3)CO2)C1 1053757313 SDYGHSPQISUGHN-GHMZBOCLSA-N 313.785 -0.023 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)[C@H]3CCN(C)C(=O)C3)CO2)C1 1053849372 IUJNPBPQTABMON-KBPBESRZSA-N 319.405 -0.162 30 20 DBED N#Cc1ccc(N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)Cn2ncnn2)cn1 1055392508 MSVRWWOXUGWDIQ-BNOWGMLFSA-N 324.348 -0.134 30 20 DBED N#Cc1cnc(N2CCN(C(=O)[C@H]3COC(=O)N3)CC2)c(F)c1 1055785628 MDDLAJJHAMFVOB-LLVKDONJSA-N 319.296 -0.151 30 20 DBED CCn1cc(C(=O)N2CCN(c3ccnc(C#N)n3)CC2)nn1 1055886621 UIBLYHWTPGJMBE-UHFFFAOYSA-N 312.337 -0.078 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@](CO)(NC(=O)c2nc[nH]n2)C1 1056045979 WMSMVLCIEIQGOF-NOZJJQNGSA-N 306.326 -0.952 30 20 DBED Cn1nccc1C(=O)N[C@H]1[C@@H]2CN(c3ccnc(C#N)n3)C[C@@H]21 1056138764 LEZLJKGDSFUEBO-MSRIBSCDSA-N 309.333 -0.054 30 20 DBED N#Cc1cncc(N2C[C@H]3C(NC(=O)c4nccnc4N)[C@@H]3C2)n1 1056152429 HZKALMUTOSFJKJ-NXEZZACHSA-N 322.332 -0.415 30 20 DBED N#Cc1c(Cl)nsc1N1C[C@H]2[C@H](NC(=O)C(N)=O)[C@H]2C1 1056381817 DFKYEZQMCVNTOY-ZMONIFLSSA-N 311.754 -0.296 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)CCSC 1057193982 WALACWFKXKVTRF-UHFFFAOYSA-N 304.412 -0.121 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)CC(=O)N(C)C 1057446862 LJQABVFPFUKPDT-UHFFFAOYSA-N 311.382 -0.795 30 20 DBED CCn1cnc(C(=O)NCCN(CCO)C(=O)C#CC2CC2)c1 1057533238 KXLGBSJWEQOVHQ-UHFFFAOYSA-N 318.377 -0.133 30 20 DBED C=CCn1cc(C(=O)N(CCO)CCNC(=O)[C@H](C)C#N)nn1 1057626744 WDFCVEOOHQTYDO-LLVKDONJSA-N 320.353 -0.826 30 20 DBED CCOCC1(C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N)CC1 1057941213 LROORPOWRKWPJM-LBPRGKRZSA-N 311.382 -0.100 30 20 DBED CN1C[C@@H](C(=O)N2CC[C@H](Nc3cnc(C#N)cn3)C2)CC1=O 1059097774 PASYAGOPPWBCAI-QWRGUYRKSA-N 314.349 -0.161 30 20 DBED O=C1N[C@H](C(=O)NCC[C@H]2CCN(C(=O)C#CC3CC3)C2)CO1 1059620518 BOYIIJWTQMNJQJ-STQMWFEESA-N 319.361 -0.137 30 20 DBED N#Cc1nc(=N[C@H]2C[C@@H](NC(=O)c3cnnc(O)c3)C2)cc[nH]1 1059743841 ARHKEZVKVUKHOP-AOOOYVTPSA-N 311.305 -0.361 30 20 DBED Cn1cc(C(=O)N[C@H]2C[C@@H](N=c3cc[nH]cc3C#N)C2)ncc1=O 1059890066 NBNCKXMJWPXEKK-TXEJJXNPSA-N 324.344 -0.158 30 20 DBED Cc1cc(=NC[C@H]2CCN(C(=O)CC(N)=O)C2)c(C#N)c[nH]1 1060833401 CFFGDPIAPDBRRU-LLVKDONJSA-N 301.350 -0.181 30 20 DBED C=CCCC(=O)NC[C@@H]1COCCN1C(=O)CCn1cnnn1 1061412738 RRZSAOCYGDEUPK-GFCCVEGCSA-N 322.369 -0.627 30 20 DBED C#CCCCCC(=O)N1CCOC[C@H]1CNC(=O)CC(N)=O 1061448356 GPMRDHJLCYAPPN-GFCCVEGCSA-N 309.366 -0.601 30 20 DBED C#CCNC(=O)CC(=O)NC1(CNC(=O)CCOC)CCC1 1062368980 VVODJUDOJJFEDQ-UHFFFAOYSA-N 309.366 -0.683 30 20 DBED N#Cc1cnc(N2C[C@@H]3C[C@H]2CN3C(=O)Cn2cncn2)cn1 1062490598 JDDZCKPBKWBELR-RYUDHWBXSA-N 310.321 -0.571 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)[C@H](C)COC)CCO1 1064968377 VMAHJPWHCKXQGM-OLZOCXBDSA-N 314.382 -0.185 30 20 DBED C=C1CC(C)(C(=O)NC[C@H]2CN(C(=O)CC(N)=O)CCO2)C1 1064999269 VDLLZWKDZQLSJK-NSHDSACASA-N 309.366 -0.438 30 20 DBED Cn1cnc(C(=O)N[C@@]2(C)CCN(c3ccc(C#N)nn3)C2)n1 1065247425 DTFWYPODFNFMHI-AWEZNQCLSA-N 312.337 -0.124 30 20 DBED Cc1cncn1CC(=O)N1CCO[C@@H](CNC(=O)[C@@H](C)C#N)C1 1065350558 HLIHTDKIGFSEIR-AAEUAGOBSA-N 319.365 -0.305 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@H](CNC(=O)Cc2cnoc2)C1 1065561606 RKZWEDRWWMQIAF-ZYHUDNBSSA-N 306.322 -0.280 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@@H](NC(=O)COCC)CC1 1065792250 QQJAWOXBLNRFRY-CYBMUJFWSA-N 323.393 -0.340 30 20 DBED C[C@@H]1[C@H](Nc2cnc(C#N)cn2)CCN1C(=O)CS(C)(=O)=O 1068775411 XPGOYCKREWCEAM-MWLCHTKSSA-N 323.378 -0.206 30 20 DBED C=CCOCC(=O)N1CC2(C[C@H](NC(=O)c3cnon3)CO2)C1 1068978874 VYORWAMSDXEKNH-JTQLQIEISA-N 322.321 -0.628 30 20 DBED C=CCCCC(=O)N[C@@H]1COC2(C1)CN(C(=O)CNC(C)=O)C2 1068992158 GXCNKQVDOHLSDA-ZDUSSCGKSA-N 323.393 -0.035 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1COC2(C1)CN(C(=O)CC1(O)CCC1)C2 1069003670 OKUZAUZNGXSOEV-VXGBXAGGSA-N 321.377 -0.063 30 20 DBED Cc1cc(=NC[C@H]2CC[C@H](NC(=O)C(N)=O)C2)c(C#N)c[nH]1 1069505697 QIIFDMIHGNEOTQ-JQWIXIFHSA-N 301.350 -0.134 30 20 DBED CN(C(=O)[C@@H]1CNC(=O)N1)C1CC(Nc2cnc(C#N)cn2)C1 1069792194 CNGIXLJXIBICLB-RFBVYIQQSA-N 315.337 -0.569 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@H](OC)C(C)C)C[C@@H]1n1ccnn1 1070267883 VUNVWIVCKINJHC-HZSPNIEDSA-N 305.382 -0.076 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@@H]2COCCO2)C[C@H]1c1cncn1C 1070624784 IEQSODPDLIKQKC-NFAWXSAZSA-N 318.377 -0.647 30 20 DBED CN(C)[C@H](C(=O)N1CCC(=O)NCCN(CC#N)CC1)C1CC1 1070970374 BJSIUMKMGHNQCB-HNNXBMFYSA-N 321.425 -0.499 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CCCN(C(=O)c2nnn(C)n2)C1 1071107027 GODXHUWSMKRUHO-LLVKDONJSA-N 304.354 -0.410 30 20 DBED C[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@]2(CCN(CC#N)C2)O1 1071221288 PDFZXDZZMUXGFU-BXUZGUMPSA-N 304.354 -0.356 30 20 DBED C=CCOCC(=O)N1C[C@@H](NC(=O)C2(C(N)=O)CC2)[C@H](C)C1 1071812791 WBIMCZRZJDQSTH-GHMZBOCLSA-N 309.366 -0.582 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)c2cocn2)C1 1071936916 VSXLBRQXMUTQAT-MNOVXSKESA-N 318.333 -0.609 30 20 DBED C=CCN1CCCO[C@@H](CNC(=O)c2cn(CCOC)nn2)C1 1073595063 GGZHLKGLUGCYIC-ZDUSSCGKSA-N 323.397 -0.069 30 20 DBED CC#CCN1CCCO[C@H](CNC(=O)[C@@H]2CCCNC2=O)C1 1073649210 PHHQSKZMJRYAJP-ZIAGYGMSSA-N 307.394 -0.257 30 20 DBED N#Cc1cc(C(=O)N2CC[C@@H]3OCCN(CC(N)=O)[C@@H]3C2)c[nH]1 1074212108 KFWKLMAEDCPRQH-OLZOCXBDSA-N 317.349 -0.713 30 20 DBED C=CCN1CCO[C@@H]2CCN(C(=O)Cn3cnnc3O)C[C@@H]21 1074212520 QOZPSFVHKUVQHK-NWDGAFQWSA-N 307.354 -0.529 30 20 DBED N#CCN1C[C@@H]2CCN(C(=O)[C@@H]3CCc4nnc(O)n4C3)[C@@H]2C1 1075964685 FLVGZOLLUYGIGL-QJPTWQEYSA-N 316.365 -0.398 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)c2ccnc3[nH]nnc23)C1 1077363048 BZWDHRWDIASGDV-GHMZBOCLSA-N 302.338 -0.296 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCS2(=O)=O)C1 1078203681 AGWBNLYFUDIHMS-GMTAPVOTSA-N 322.814 -0.523 30 20 DBED C#CCN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)CN1CCNC(=O)C1)C2 1079013472 ZIIYBWJWJNCTJF-MGPQQGTHSA-N 304.394 -0.980 30 20 DBED C#Cc1cncc(C(=O)N2CC(N(CC)C(=O)CC(N)=O)C2)c1 1079534402 AHFWOHTZLSBMBL-UHFFFAOYSA-N 314.345 -0.389 30 20 DBED CC#CCN1C[C@@H](NC(=O)[C@H](C)N2C(=O)CCC2=O)[C@H](C)C1 1079803398 UKPUMRFMIGZRSB-FRRDWIJNSA-N 305.378 -0.016 30 20 DBED C#CCOCCC(=O)N1CC(N(CC)C(=O)[C@@H](C)CC(N)=O)C1 1080217922 PEBWTGMPZIVABP-LBPRGKRZSA-N 323.393 -0.403 30 20 DBED CNC(=O)CC(=O)N1CCC(CO)(NC(=O)C#CC2CC2)CC1 1080853315 SMOFMOZHSCNBKT-UHFFFAOYSA-N 321.377 -0.994 30 20 DBED C#CCOCCC(=O)N1C[C@H](CNC(=O)c2ccc[nH]2)[C@@H](O)C1 1081252128 XIFNQEBBZVYKQQ-JSGCOSHPSA-N 319.361 -0.396 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)Cc2cc[nH]n2)C[C@@H]1O 1081332913 MOYWOFNLKMWYPW-AAEUAGOBSA-N 306.366 -0.146 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2cc[nH]c2)C[C@H]1O 1081346884 NRRLIAFGUMQASN-QWHCGFSZSA-N 307.350 -0.234 30 20 DBED C#CCOCCC(=O)N1C[C@H](CNC(=O)/C(C)=C\C)[C@@H](O)C1 1081397688 UTBYOZKWAHZGOA-QZYAKGMDSA-N 308.378 -0.072 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2nc(C)c[nH]2)C1 1081519315 FZIYMLGAELTXGJ-NEPJUHHUSA-N 322.365 -0.530 30 20 DBED C=CCC1(C(=O)NC[C@@H]2CN(C(=O)CC(N)=O)C[C@@H]2O)CCC1 1081742279 RRJVYJHVIUFUGO-NEPJUHHUSA-N 323.393 -0.456 30 20 DBED C=CCN1C[C@@H](NC(=O)c2cnc(O)n(C)c2=O)[C@H](OC)C1 1082015520 YPPWFFOYHNAYKO-GHMZBOCLSA-N 308.338 -0.899 30 20 DBED C=C(C)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)C1CC(=O)NC(=O)C1 1083223129 GEHSSGABAWSUGA-QWHCGFSZSA-N 321.377 -0.473 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)C1CCN(C(N)=O)CC1 1083270109 NCTKBWZHXLOVEO-UONOGXRCSA-N 320.393 -0.678 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)c2ccnc3c2ncn3C)C1 1083769290 NCZUAOTXNCMCBB-NEPJUHHUSA-N 301.350 -0.071 30 20 DBED C=CCn1cc(C(=O)N(C)C[C@@H]2CCN2CC(=O)N(C)C)nn1 1085860591 CPMPBRJZPWAWKB-LBPRGKRZSA-N 320.397 -0.301 30 20 DBED N#CCN[C@H]1C[C@H](CNC(=O)[C@H]2CN3CC4CC3(CO2)C4)C1 1086432256 PIUHVLSLSBZANA-AYVTUFRQSA-N 304.394 -0.142 30 20 DBED C#CCN1C[C@H]2CC[C@H]1[C@H]1CN(C(=O)Cn3cnnn3)C[C@@H]21 1087336339 ZYKWRRUTEPKKMT-RFGFWPKPSA-N 300.366 -0.525 30 20 DBED C#CCN1CC[C@H](NC(=O)c2ccc(=O)n(CCOC)n2)[C@H]1C 1088725502 TTZXKVZXJYFRQW-OLZOCXBDSA-N 318.377 -0.285 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)CN2CCCNC2=O)[C@@H](O)C1 1090390399 GUQNZZPWWFWZHC-STQMWFEESA-N 310.398 -0.471 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2cn3cccnc3n2)[C@@H](O)C1 1090394925 YTLBWOUYZAYWDO-JSGCOSHPSA-N 313.361 -0.082 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1O 1090445709 PETHDGKANAQNGZ-CYZMBNFOSA-N 317.349 -0.395 30 20 DBED C=CCCn1cc(C(=O)N[C@H]2CCN(CC#N)C[C@H]2O)nn1 1090638764 RTPBASZTQAJXTN-WCQYABFASA-N 304.354 -0.457 30 20 DBED CO[C@@H]1CN(c2nccnc2C#N)C[C@H]1NC(=O)[C@@H](C)C#N 1090864834 MQVAJGFMLDDPSC-MVWJERBFSA-N 300.322 -0.172 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(c2ncc(F)cn2)C[C@@H]1O 1091116426 OPDMNVJBGHCGKG-NEPJUHHUSA-N 310.329 -0.126 30 20 DBED COC(=O)NCC(=O)N1CCN(c2nc(C)cc(C#N)n2)CC1 1093134536 GURODZMLOIKBNZ-UHFFFAOYSA-N 318.337 -0.339 30 20 DBED CNC(=O)NCC(=O)NC1[C@@H]2CN(c3ccc(C#N)nc3)C[C@@H]12 1093361074 LTVIBQQRNWSZJT-VXGBXAGGSA-N 314.349 -0.567 30 20 DBED Cc1nc2nccc(C(=O)NCCN=c3cc[nH]c(C#N)n3)n2n1 1093760130 QEWHAENYJZCBFQ-UHFFFAOYSA-N 323.320 -0.642 30 20 DBED CCN1C[C@H](C(=O)NCCNc2cnc(C#N)cn2)CC1=O 1094190832 YFKWZYADGJEQEW-SNVBAGLBSA-N 302.338 -0.255 30 20 DBED COc1nc(C)ncc1C(=O)NCCN=c1cc[nH]c(C#N)n1 1094218198 UBUXDEFVRFVBOT-UHFFFAOYSA-N 313.321 -0.281 30 20 DBED N#Cc1nc(=NCCNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)cc[nH]1 1094301429 CCEXIZFYTIKPFV-COPLHBTASA-N 317.349 -0.650 30 20 DBED C#CCN1CC(n2cc(CNC(=O)c3nocc3C)nn2)C1 1094333605 KCRYNUQFUPYVOS-UHFFFAOYSA-N 300.322 -0.006 30 20 DBED C#Cc1ccc(C(=O)NCc2cn(C3CN(CC#N)C3)nn2)cn1 1094333687 CDSKMEZQORIIPT-UHFFFAOYSA-N 321.344 -0.035 30 20 DBED C#CCN1CCN(C(=O)c2cccn2C)[C@@H]2CS(=O)(=O)C[C@@H]21 1094606040 HCXVIMNMEYSEEQ-UONOGXRCSA-N 321.402 -0.418 30 20 DBED N#Cc1nccnc1NCCCNC(=O)[C@@H]1CCS(=O)(=O)C1 1094661929 PJPLRDJFYZCAGR-SNVBAGLBSA-N 323.378 -0.299 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)[C@@]3(F)CCOC3)CC2=O)C1 1094777732 CFCITJQLZYBXQS-IAQYHMDHSA-N 309.341 -0.851 30 20 DBED CCC(=O)NCC(=O)N1CC[C@@H](N(C)c2cncc(C#N)n2)C1 1095099793 NTOIXXAWFVRSKM-GFCCVEGCSA-N 316.365 -0.088 30 20 DBED CNC(=O)CCCC(=O)N[C@H]1CCN(c2ccc(C#N)nn2)C1 1096361456 AAXUTBIXYVORHQ-LBPRGKRZSA-N 316.365 -0.041 30 20 DBED Cc1cc(C#N)nc(N[C@H]2CCN(C(=O)[C@H](C)NC(N)=O)C2)n1 1096930202 ADQKUZSMFAGKPP-UWVGGRQHSA-N 317.353 -0.274 30 20 DBED N#Cc1nccnc1N[C@H]1CCN(C(=O)C(=O)NCC(F)F)C1 1096966974 GUDKHZFQUFMMDX-QMMMGPOBSA-N 324.291 -0.258 30 20 DBED CCS(=O)(=O)CC(=O)N[C@H]1C[C@@H](N=c2cc[nH]cc2C#N)C1 1097191410 KVJSQJUBPYNMFC-TXEJJXNPSA-N 322.390 -0.131 30 20 DBED C[C@@H](NC(=O)C(N)=O)[C@H]1CCCN(c2ccnc(C#N)n2)C1 1097548240 SCZDSGQCNXUXOH-ZJUUUORDSA-N 302.338 -0.445 30 20 DBED Cc1cc(C#N)nc(N[C@@H](C)CNC(=O)CCn2cnnn2)n1 1098011530 UGAHXDDBGMRVGY-JTQLQIEISA-N 315.341 -0.350 30 20 DBED C[C@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)Nc1nccnc1C#N 1098213053 BCSMBWPKHQRXSO-SCZZXKLOSA-N 303.326 -0.712 30 20 DBED C#CCCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cn1nc(C)n(C)c1=O 1098308228 GHABYPKZMQEZDQ-MCIONIFRSA-N 317.393 -0.365 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCC(N(CCO)CCCO)CC1 1098354175 NAQWJTLEMSLLQL-INIZCTEOSA-N 314.426 -0.019 30 20 DBED C[C@@H]1OCCO[C@@H]1C(=O)NC[C@@H](C)N=c1cc[nH]c(C#N)n1 1098359920 RBEHWCLZVQUFGQ-NRUUGDAUSA-N 305.338 -0.509 30 20 DBED C#CCCN(CCO)C1CCN(C(=O)[C@@H]2CCCNC2=O)CC1 1098399818 UZJZJABYGPRGLE-OAHLLOKOSA-N 321.421 -0.179 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2cccnc2)[C@H](O)C1 1099622693 BVNAFABDCXOPRR-LSDHHAIUSA-N 303.362 -0.104 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2cnccn2)[C@H](O)C1 1099622710 CFAWBZVDOZFBBY-GXTWGEPZSA-N 304.350 -0.709 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2cnns2)[C@H](O)C1 1099696268 WGAYUXNIECTMMP-WDEREUQCSA-N 310.379 -0.647 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)c2ccon2)[C@H](O)C1 1099706948 KGDDQMUFQPPAHX-ZYHUDNBSSA-N 308.338 -0.858 30 20 DBED C#CCCCC(=O)N[C@H]1CCN(CCNC(=O)C2CC2)C[C@@H]1O 1099805041 WFGXTDUAFIJVOY-GJZGRUSLSA-N 321.421 -0.133 30 20 DBED C=CCCCN1CC[C@H](NC(=O)c2cc(=O)n(C)cn2)[C@H](O)C1 1099879112 FRPFGBNOUZVIGP-GXTWGEPZSA-N 320.393 -0.089 30 20 DBED CC1(C(=O)N[C@H]2CCN(CC(=O)NCC#N)C[C@@H]2O)CCCC1 1099935458 OBIQSQBOYANNLC-STQMWFEESA-N 322.409 -0.242 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2n[nH]cc2F)[C@H](O)C1 1099991681 OMXKYXDEXNCHHM-NWDGAFQWSA-N 310.329 -0.636 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1CC(NCCS(C)(=O)=O)C1 1100285647 OZBLUGLEMIZSKW-YIZWMMSDSA-N 318.439 -0.158 30 20 DBED CC(=O)N[C@H](C)C(=O)NC[C@H]1CCN(c2cnc(C#N)cn2)C1 1100921864 OHNGZAAFZKYLOB-ZYHUDNBSSA-N 316.365 -0.185 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CC(CNC(=O)c2[nH]cnc2C)C1 1101077249 ULKGTNSXPOEEBI-PNESKVBLSA-N 317.393 -0.046 30 20 DBED CC[C@H](OC)C(=O)NC[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1101797727 AKMNVEYBNXENLP-UPJWGTAASA-N 310.398 -0.265 30 20 DBED CCN(C(=O)CNC(C)=O)[C@H]1CCN(c2nccnc2C#N)C1 1102771202 FFARTYQUOYUBPC-LBPRGKRZSA-N 316.365 -0.088 30 20 DBED CCN(C(=O)CC(N)=O)[C@@H]1CCN(c2nc(C)cc(C#N)n2)C1 1102784475 MJKQYLRXAVMAOG-GFCCVEGCSA-N 316.365 -0.041 30 20 DBED CC[C@H](CNC(=O)[C@@H]1CCC(=O)N1)Nc1nccnc1C#N 1103143583 DEJYKWOUDRODAO-ZJUUUORDSA-N 302.338 -0.066 30 20 DBED CCc1nc(C#N)cc(N2CCO[C@@H](CNC(=O)COC)C2)n1 1104281852 KEXPSGYRIQRGLJ-LBPRGKRZSA-N 319.365 -0.122 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)CCNC(N)=O 1104565202 OGTZBAQAGYOYSU-VIFPVBQESA-N 305.342 -0.913 30 20 DBED CC(C)[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)Nc1cnc(C#N)cn1 1105278095 UUDINBAKJINOEA-MNOVXSKESA-N 317.353 -0.418 30 20 DBED C#CCNCc1cn(C2CN(C(=O)CCCN(C)C)C2)nn1 1105315627 XFTUEQAWTDMNRI-UHFFFAOYSA-N 304.398 -0.274 30 20 DBED N#Cc1nccnc1NC[C@H](O)CNC(=O)c1cc[n+]([O-])cc1 1105715511 VQXZPPMRPIFCOE-NSHDSACASA-N 314.305 -0.816 30 20 DBED Cc1ccc(C(=O)NC[C@H](O)CN=c2cc[nH]c(C#N)n2)cn1 1105754103 GDCPPYGDULOBBY-GFCCVEGCSA-N 312.333 -0.324 30 20 DBED C[C@](O)(CC(=O)NC[C@@H](O)CNc1ccc(C#N)nn1)C1CC1 1105826882 LYEMROIROQOLTL-WFASDCNBSA-N 319.365 -0.212 30 20 DBED CCn1ccc(C(=O)NC[C@H](O)CNc2ccc(C#N)nn2)n1 1105981804 FOPDBBWKCGFPGV-LLVKDONJSA-N 315.337 -0.233 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)C1=COCCO1 1106672817 FQSPPTFAYPFRDT-UHFFFAOYSA-N 303.322 -0.081 30 20 DBED N#CCN1CC(n2cc(CNC(=O)CCc3cnn[nH]3)nn2)C1 1107211917 FGCFVPBUNCYKHS-UHFFFAOYSA-N 315.341 -0.975 30 20 DBED C[C@H](CNc1nccnc1C#N)NC(=O)[C@@H]1CCNC(=O)C1 1107687349 VPBHKWMQKGIBJA-NXEZZACHSA-N 302.338 -0.209 30 20 DBED C#CCNC(=O)CN1CCO[C@@](C)(CNC(=O)/C=C/C2CC2)C1 1107840959 FQSRWMZDKGUZDA-LXXRFIIISA-N 319.405 -0.091 30 20 DBED C#CCNC(=O)CC(=O)NC[C@]1(C)CN(CC(C)C)CCO1 1107884423 HACIMSOWNHLSMJ-MRXNPFEDSA-N 309.410 -0.011 30 20 DBED COC[C@H](C)N1CC(N2C[C@@H](NC(=O)C#CC3CC3)CC2=O)C1 1108544871 LBKMWPGRMJRLIS-JSGCOSHPSA-N 319.405 -0.164 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)CCc3cnc[nH]3)CC2=O)C1 1108549398 JRSCAVFTIFCDLB-CYBMUJFWSA-N 315.377 -0.623 30 20 DBED CC#CCCCC(=O)N[C@@H]1CC(=O)N(C2CN(CCCO)C2)C1 1108563149 JDPGIVRCUXFNPL-CQSZACIVSA-N 321.421 -0.036 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CN(C)c1ccc(C)nn1 1108940720 IKQLOXFFPFKPHK-LBPRGKRZSA-N 303.366 -0.135 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1[C@H]2C[C@H]1N(c1ncc(F)cn1)C2 1109704214 OGQCOELAQOHAOB-PXWWUCIGSA-N 317.324 -0.552 30 20 DBED C=CCOCC(=O)NC[C@]1(O)CCN(c2ccc(C#N)nn2)C1 1111039582 KJWOJMZLSATHQU-OAHLLOKOSA-N 317.349 -0.392 30 20 DBED CCOCC(=O)N[C@]1(CO)CCCN(c2cnc(C#N)cn2)C1 1111326113 GBLJFWXSOFUYPX-OAHLLOKOSA-N 319.365 -0.168 30 20 DBED COC[C@H](C)C(=O)NC[C@H]1COCCN1c1cncc(C#N)n1 1111666378 ZXADNBFIURFGHH-AAEUAGOBSA-N 319.365 -0.048 30 20 DBED N#Cc1cncc(NC2(CNC(=O)[C@@H]3COC(=O)N3)CCC2)n1 1111803580 IFPYJJXQBGBELI-JTQLQIEISA-N 316.321 -0.093 30 20 DBED CCCOCC(=O)NC[C@H]1CN(c2ccc(C#N)nn2)C[C@H]1O 1112708837 AEPXZRSKNFVFCG-WCQYABFASA-N 319.365 -0.312 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)c2cnn(CC)n2)CC1 1112821145 MRJSRRVTCICZAJ-GFCCVEGCSA-N 320.397 -0.254 30 20 DBED C[C@H](NC(=O)Cn1cnnn1)[C@H](C)Nc1nccnc1C#N 1112905142 IWKGBFFCZZCYSG-IUCAKERBSA-N 301.314 -0.660 30 20 DBED C[C@H](N=c1cc[nH]c(C#N)n1)[C@@H](C)NC(=O)CS(C)(=O)=O 1112926958 WMAQRSCMQMIHMW-DTWKUNHWSA-N 311.367 -0.880 30 20 DBED COCC#CCN1CCN(C(=O)c2cnc3[nH]nnc3c2)CC1 1112970230 ZSZMDTJBHBIGKG-UHFFFAOYSA-N 314.349 -0.240 30 20 DBED C[C@@H](CNC(=O)c1cnnn1C)N(C)c1ccc(C#N)nn1 1113589661 ZEPXRJKXYWUXRM-VIFPVBQESA-N 300.326 -0.269 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@H](CC)SC)[C@H]2C1 1114151635 LDLONIXHUIUUMJ-KZVDOYCCSA-N 309.435 -0.076 30 20 DBED COCC1(CC(=O)N[C@H]2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]32)CC1 1114260649 QRGASEKFSQXEOB-JYAVWHMHSA-N 320.393 -0.511 30 20 DBED C=C(C)CCC(=O)NC1[C@@H]2CN(CCN3C(=O)CNC3=O)C[C@@H]12 1114352821 HYKQTYSCBREJBH-VXGBXAGGSA-N 320.393 -0.059 30 20 DBED C#Cc1cncc(C(=O)N[C@H]2[C@@H]3CN(CC(=O)NCC)C[C@@H]32)c1 1114807864 GZTBESRUUGBZJB-FOLVSLTJSA-N 312.373 -0.141 30 20 DBED C=CCOCCN1C[C@H]2[C@H](NC(=O)CCc3cnn[nH]3)[C@H]2C1 1114865261 TXMVITYUTHMDFZ-NHAGDIPZSA-N 305.382 -0.014 30 20 DBED CNC(=O)C1(C(=O)NC2[C@@H]3CN(CC#CCOC)C[C@@H]23)CC1 1114972551 NRIJGMGUJRXSFS-VXGBXAGGSA-N 305.378 -0.791 30 20 DBED N#CCN1C[C@H]2[C@H](NC(=O)CCC(=O)N3CCOCC3)[C@H]2C1 1115208888 MFNKYKSRFKNVAT-JYAVWHMHSA-N 306.366 -0.805 30 20 DBED CN(C(=O)CNC(N)=O)[C@H](CNc1ccc(C#N)nn1)C1CC1 1115467654 XYHCGVMKMKDULL-LLVKDONJSA-N 317.353 -0.335 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)Nc2cccc3c2CNC3=O)CCO1 1117424476 JXUZLDDLMUHGDO-SECBINFHSA-N 314.301 -0.381 30 20 DBED C/N=C(/NCCN1CCOCC1)NCc1nnc2n1CCC2 1118351286 ZPZMYMLQPHCRNA-UHFFFAOYSA-N 307.402 -0.779 30 20 DBED C=CCNC(=O)Cn1nnnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1120070454 RQDUFKXMLRUGHI-VXGBXAGGSA-N 306.370 -0.162 30 20 DBED N#Cc1cccnc1N[C@@H](CO)CNC(=O)[C@H]1CCC(=O)N1 1121331871 KWBWIOARXKXZGA-GHMZBOCLSA-N 303.322 -0.879 30 20 DBED CNC(=O)CC(=O)NC[C@H](CO)Nc1nc(C)ccc1C#N 1121371592 RADSATVBDNURSG-LLVKDONJSA-N 305.338 -0.713 30 20 DBED Cc1ccc(C#N)c(N[C@@H](CO)CNC(=O)c2ncn(C)n2)n1 1121432370 MERMSQCVXIYCKW-LLVKDONJSA-N 315.337 -0.407 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H](CO)CNC(=O)c1ccc(O)nc1 1121550369 QJYGEYXYZJECIG-GFCCVEGCSA-N 313.317 -0.321 30 20 DBED Cc1n[nH]cc1C(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1 1122291982 BYLFOQAPKUNIPW-SECBINFHSA-N 301.310 -0.996 30 20 DBED CN(CC(=O)NC[C@H](CO)Nc1nccnc1C#N)C1CCC1 1122741470 XTQOPGXVZSAFLO-LLVKDONJSA-N 318.381 -0.278 30 20 DBED Cc1cc(C(=O)N(C)C[C@H](O)CNc2cncc(C#N)n2)n[nH]1 1124097226 QIEHGYOGVZSZEL-LLVKDONJSA-N 315.337 -0.075 30 20 DBED CN(C[C@@H](O)CNc1cnc(C#N)cn1)C(=O)c1cnn(C)n1 1124416126 ZKOCUEJBWPWCDY-JTQLQIEISA-N 316.325 -0.978 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]cc1C#N)C(=O)c1cnon1 1124466435 QQGQKFQCDNGEDU-SNVBAGLBSA-N 302.294 -0.697 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)C(=O)C(C)(C)C 1124976491 BKKHLBHANYGZJC-UHFFFAOYSA-N 312.370 -0.681 30 20 DBED COCCN(CCNC(=O)C(N)=O)c1ccc(C#N)c(C)n1 1126507978 NYYWFKZHGDNJSI-UHFFFAOYSA-N 305.338 -0.684 30 20 DBED CN(C)S(=O)(=O)CCCNCCNC(=O)C#CC1CC1 1126881484 VCBCFUKBYNSPNB-UHFFFAOYSA-N 301.412 -0.613 30 20 DBED N#Cc1nccc(N2CC=C(CNC(=O)CNC(N)=O)CC2)n1 1127547071 ZBQGHCQCXKMXPO-UHFFFAOYSA-N 315.337 -0.731 30 20 DBED C[C@]1(C(=O)NCc2cnn3c2CN(CC#N)CC3)CCNC1=O 1128488676 GNCULOLWHOAKEB-HNNXBMFYSA-N 316.365 -0.635 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CN(Cc2cnon2)C[C@@H]1n1ccnn1 1128830147 MTDXEADHGBOISJ-JLLWLGSASA-N 316.325 -0.638 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)CC(=O)N(C)C)CC1 1131385646 JHOHTGUIJINYBL-UHFFFAOYSA-N 310.398 -0.699 30 20 DBED C[C@@H]1CC[C@@H](NC(=O)c2cnn[nH]2)CN1CC(=O)NCC#N 1132146067 XADOMFWHTQPTBY-NXEZZACHSA-N 305.342 -0.973 30 20 DBED C#CCNC(=O)CN1C[C@H](NC(=O)CC(=O)N(C)C)CC[C@H]1C 1132345683 RTKNUYZGUDGPDA-CHWSQXEVSA-N 322.409 -0.817 30 20 DBED C=CCNC(=O)CN1C[C@H](NC(=O)c2cnon2)CC[C@H]1C 1132368482 NWZGWEKVKGDAJL-GHMZBOCLSA-N 307.354 -0.046 30 20 DBED N#CCNC(=O)CNCCNC(=O)[C@@H]1CCCc2nc[nH]c21 1133659674 GAVQGJPZAOSWMI-SNVBAGLBSA-N 304.354 -0.825 30 20 DBED C[C@@H](C[C@H](C)NC(=O)c1ncccc1O)NCC(=O)NCC#N 1134189127 JMYVUZLXAQUCCC-QWRGUYRKSA-N 319.365 -0.087 30 20 DBED C#CCCN[C@@H](C)C[C@H](C)NC(=O)CN(C)S(C)(=O)=O 1134508469 CLHZXWJEFSURKM-RYUDHWBXSA-N 303.428 -0.226 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)C1(NC(C)=O)CCCC1 1135206127 WLAFJOGDMWWDCQ-GFCCVEGCSA-N 324.425 -0.168 30 20 DBED C=CCNC(=O)CN1CCC2(C1)CN(C(=O)C1=COCCO1)C2 1146927554 DMMGELWDUSXBLK-UHFFFAOYSA-N 321.377 -0.289 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC2(CN(C(=O)c3cnn[nH]3)C2)C1 1147846641 HTLFLORGZIJLFV-NSHDSACASA-N 316.365 -0.910 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)C[C@@H]2CCN(C)C2)C1=O 1147885299 LNNNDEWVRRCTRW-UONOGXRCSA-N 308.426 -0.179 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1ccc2nnn(C)c2c1 1149223635 OXXQPIXQOJJJDU-UHFFFAOYSA-N 316.365 -0.410 30 20 DBED C[C@H]1C[C@@H]1C(=O)NC[C@H]1CN(CC(=O)NCC#N)CCCO1 1150085301 MLIVBRFBXWSKHN-AVGNSLFASA-N 308.382 -0.511 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)[C@@H](C)NC(C)=O)C1=O 1154373227 OTQAGRPIAJYHDU-DGCLKSJQSA-N 310.398 -0.606 30 20 DBED C=CCCO[C@@H](C)C(=O)NCCCNCCNS(C)(=O)=O 1155456181 SWXPYELIAHDXBY-LBPRGKRZSA-N 321.443 -0.387 30 20 DBED C=CCOCCCC(=O)NCCCN[C@H](C)C(=O)NC(N)=O 1156165762 MFKQDPVHZFUIHB-LLVKDONJSA-N 314.386 -0.352 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@@H]1CCn2ccnc2C1 1161309359 MFZKRRZTOVITOA-CYBMUJFWSA-N 317.393 -0.709 30 20 DBED N#CCNC(=O)CN1CC=C(CCNC(=O)c2cnon2)CC1 1161544346 UMSJOKMSCILMIC-UHFFFAOYSA-N 318.337 -0.539 30 20 DBED N#CCNC(=O)CNCCCNC(=O)CCc1ccncc1 1161618666 LMEQZLAJWIRHHA-UHFFFAOYSA-N 303.366 -0.250 30 20 DBED C[C@@H](CC(=O)NCCCNCC(=O)NCC#N)c1cnn(C)c1 1163165103 WROWBFDYJHDJNA-LBPRGKRZSA-N 320.397 -0.351 30 20 DBED C#CCNC(=O)CNCC1(CCNC(=O)CSCC#N)CC1 1163490613 DATMRZLJBACPDC-UHFFFAOYSA-N 322.434 -0.131 30 20 DBED COCC#CCNCCCNC(=O)c1cnn(CCOC)c1 1174843919 YQGODKYPRLFCJD-UHFFFAOYSA-N 308.382 -0.111 30 20 DBED COCC#CCNCCCNC(=O)Cc1nc2ncccn2n1 1176064180 KHZXMJZJRUCXHC-UHFFFAOYSA-N 316.365 -0.588 30 20 DBED CC(C)(C)C(=O)N1CC[C@@H]2OCCN(CC(=O)NCC#N)[C@@H]2C1 1177133252 ZFWFGDXDQXYJET-OLZOCXBDSA-N 322.409 -0.026 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC[C@@H](NCCNS(C)(=O)=O)C1 1182204731 UIZMVRLSDCKWHZ-DGCLKSJQSA-N 319.427 -0.947 30 20 DBED CC#CCNC[C@H]1CCN(C(=O)c2nnc(O)nc2O)C[C@@H]1C 1184747094 LJFPDMNHGUMKKA-WDEREUQCSA-N 319.365 -0.006 30 20 DBED CC#CCN1C[C@@H]2CCN(C(=O)CN(C)S(C)(=O)=O)[C@@H]2C1 1188107792 YVTZNKIVXOYYLG-QWHCGFSZSA-N 313.423 -0.566 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](N(C)Cc2ccnn2C)C1 1189760401 KZOJSQCIHHHTTQ-CYBMUJFWSA-N 317.393 -0.408 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](N(C)Cc2cnn(C)c2)C1 1189760418 LPHRHLOMEVXURO-CQSZACIVSA-N 317.393 -0.408 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CN(CC(=O)NCCC(C)(C)C)C[C@H]1O 1191863109 CPRSSCVEOSGRNL-JHJVBQTASA-N 324.425 -0.140 30 20 DBED C=CCCN(C)[C@H]1CCN(C(=O)CS(=O)(=O)N(C)C)C1 1193786366 HIKRLCHGHPYQGX-LBPRGKRZSA-N 303.428 -0.013 30 20 DBED C#CCO[C@H](C)C(=O)N1CCCN(Cc2cnnn2C)CC1 1195792211 RBDDCMUDIIWUOH-CYBMUJFWSA-N 305.382 -0.112 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(CC#CCOC)C[C@H]1O 1196812668 UHQLUCQUGHSVIJ-JJXSEGSLSA-N 322.405 -0.221 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@H](C)CN2CCOCC2)C1 1198699862 YWQHDMZFWFKEHN-RBSFLKMASA-N 309.410 -0.861 30 20 DBED CN(C)C1(C(=O)N2CCC(NCC(=O)NCC#N)CC2)CCC1 1201037309 HOJMZZRPUVNCPE-UHFFFAOYSA-N 321.425 -0.309 30 20 DBED C#CCNC[C@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)CCCO1 1201411179 PBNSKUUOKKDPQP-RDBSUJKOSA-N 307.394 -0.272 30 20 DBED C=CCOCCNC1CCN(C(=O)c2nnc(O)nc2O)CC1 1201462258 OWQQOTFALRHIFP-UHFFFAOYSA-N 323.353 -0.320 30 20 DBED C=CCn1cc(C(=O)N2CCCO[C@H](CNCCOC)C2)nn1 1201585583 RHGVZJVDDZKKQD-CYBMUJFWSA-N 323.397 -0.069 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)C2=CCOCC2)[C@H](C)C1 1206896234 ZXZKGFWJDGZXIR-TZMCWYRMSA-N 305.378 -0.481 30 20 DBED COCC#CCNCC1CCN(C(=O)CCNC(N)=O)CC1 1206919953 SKYNCIGFAPPBPD-UHFFFAOYSA-N 310.398 -0.477 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)c2ccnn2C)C1 1207585906 PEDVNFFAUDWISR-LBPRGKRZSA-N 305.382 -0.084 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)c2cncn2C)C1 1208504999 OLIQWPXTSQFYNZ-LBPRGKRZSA-N 303.366 -0.636 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)[C@]2(C)CCCOC2)[C@H](C)C1 1209783653 DYABAKKLTZVJBP-CKEIUWERSA-N 321.421 -0.011 30 20 DBED C=CCCN[C@H]1CCCN(C(=O)c2cn(C)c(=O)n(C)c2=O)C1 1209919914 BDIBDMYIKYCQTH-LBPRGKRZSA-N 320.393 -0.146 30 20 DBED C#CCN[C@H]1CCCN(C(=O)[C@@H](NC(=O)COC)C(C)C)C1 1209999449 ABBZGLBJEHHTSA-ZFWWWQNUSA-N 309.410 -0.013 30 20 DBED C=CCNC(=O)[C@H](C)N[C@H]1CCCN(C(=O)c2cnon2)C1 1210234984 DMVNFEPKQXRNLW-QWRGUYRKSA-N 307.354 -0.046 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)/C=C(/C)CC)[C@H](OC)C1 1212223080 GGRLBSOSCJXFKH-GJQIVEAUSA-N 307.394 -0.093 30 20 DBED COCC#CCN1C[C@@H](NC(=O)C2CC(OC)C2)[C@H](OC)C1 1212440694 HEJLSDMYMASCCM-NEXFUWMNSA-N 310.394 -0.123 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C 1214588056 VOKVBCCUEQJVDS-UMVBOHGHSA-N 301.390 -0.026 30 20 DBED CC[C@H](C(N)=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)C#CC(C)C 1217840112 VRXCNFWCKHNNBF-HZSPNIEDSA-N 307.394 -0.179 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@H]2CC2(F)F)C1 1219568300 XGKUBDRXZCDPOU-BBBLOLIVSA-N 303.309 -0.895 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(CC2CCOCC2)C[C@@H]1O 1219607598 TXYGPRIYEKGDBQ-YUELXQCFSA-N 310.394 -0.387 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN([C@@H](C)c2ncccn2)C[C@@H]1O 1219611847 MMWOZGBVNYQODW-MJBXVCDLSA-N 318.377 -0.261 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)CCn2ccccc2=O)C1 1219744659 LGEHDBQFYUMTRG-KGLIPLIRSA-N 305.378 -0.024 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)[C@@H](OC)C2CCC2)C1 1220087783 HOKYNSZAYNFQFC-ILXRZTDVSA-N 310.394 -0.387 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)C(C)(C)C(=C)C)C1 1220134003 VAFYXOQSKZQZFM-MJBXVCDLSA-N 321.421 -0.112 30 20 DBED C=C1CCC(C(=O)N[C@@H]2CN(C[C@H](O)COC)C[C@@H]2O)CC1 1220275303 SVEHLYFGGQNHQG-ZNMIVQPWSA-N 312.410 -0.099 30 20 DBED C=CCN1CC[C@H](N2CCC(NC(=O)CNC(C)=O)CC2)C1=O 1225823388 FNPAOCWIRBGJCP-AWEZNQCLSA-N 322.409 -0.510 30 20 DBED N#CCNC(=O)CN1CCC(NC(=O)c2ccc(C#N)[nH]2)CC1 1226893187 ROLWWUDUFCSSOJ-UHFFFAOYSA-N 314.349 -0.280 30 20 DBED Cn1ccc(C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NCC#N)n1 1230138011 BLQZTUBDACRCGW-VXGBXAGGSA-N 318.381 -0.310 30 20 DBED C=CCCOCC(=O)NC1CCN([C@@H]2CCC(=O)NC2=O)CC1 1230411736 QRLJULGJPXENQD-CYBMUJFWSA-N 323.393 -0.035 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)c1cc(C)no1 1230738598 HSYILBFCHKZKIQ-GFCCVEGCSA-N 304.350 -0.121 30 20 DBED COCC#CCN1CC[C@@H]1CN(C)C(=O)CCc1nc[nH]n1 1233559245 AQGSUNLNWPIIAN-CYBMUJFWSA-N 305.382 -0.080 30 20 DBED CN(C[C@@H]1CCN1CC(=O)NCC#N)C(=O)c1cn(C)cn1 1233611960 VKVLPLQHOCBGAX-NSHDSACASA-N 304.354 -0.794 30 20 DBED CC[C@H](C)NC(=O)CCNC(=O)C(=O)N1CCO[C@@H](C#N)C1 1321985991 UARVJVWNIHBJPI-QWRGUYRKSA-N 310.354 -0.842 30 20 DBED COCC[C@H](CO)NC(=O)C(=O)Nc1cc(C)c(C#N)cn1 1327619731 UCDMTLTVWXYWLU-LLVKDONJSA-N 306.322 -0.286 30 20 DBED C#CCNC(=O)CN1CCN(c2ncnc3scnc23)CC1 1327633344 XEHKZSXPQXKMGJ-UHFFFAOYSA-N 316.390 -0.042 30 20 DBED N#CCN1CCC(NC(=O)C(=O)N2CCC3(C2)OCCO3)CC1 1328684957 IXOCXUVRTWJBEY-UHFFFAOYSA-N 322.365 -0.934 30 20 DBED C#CCOCCn1nnnc1N1CCC[C@@H](OC(=O)N(C)C)C1 1334392372 HOKMQPUKSUJDBK-GFCCVEGCSA-N 322.369 -0.010 30 20 DBED C#Cc1ccc(NC(=O)C(=O)N2CC[C@@H](O)[C@@H](CO)C2)cc1 1337366842 XKNNRWFDKIETBG-TZMCWYRMSA-N 302.330 -0.192 30 20 DBED C=CCn1c(N2CCNC(=O)C2)nnc1[C@@]1(C)CNC(=O)C1 1338701679 OLQASGWYDACLIN-CQSZACIVSA-N 304.354 -0.822 30 20 DBED C=CCn1c(Cn2cnc(C#N)n2)nnc1N1CCOCC1 1342427041 NFCGREDQOWSUHA-UHFFFAOYSA-N 300.326 -0.188 30 20 DBED C#CCNC(=O)C1CCN(C(=O)C(=O)N2CC[C@@H]3C[C@H]3C2)CC1 1346993690 WHKJFNHLBSQVAE-KGLIPLIRSA-N 317.389 -0.157 30 20 DBED N#Cc1ccc(NCC(=O)NC[C@H]2CC[C@H](C(N)=O)O2)nc1 1362137086 WPFGTVNNFATUMT-GHMZBOCLSA-N 303.322 -0.486 30 20 DBED N#Cc1cn(CC(=O)Nc2ccc(CCO)cc2)c(=O)nc1O 1362234748 JDXHWURQBYYWGT-UHFFFAOYSA-N 314.301 -0.006 30 20 DBED Cc1cc(C(=O)NCCn2cc(C#N)c(O)nc2=O)ncn1 1363483604 NFTZNEQVDKRCRW-UHFFFAOYSA-N 300.278 -0.651 30 20 DBED CN(CCNC(=O)c1cn(C)nn1)C(=O)c1cc(C#N)c[nH]1 1386868090 KHERHOACFLJBNJ-UHFFFAOYSA-N 301.310 -0.483 30 20 DBED CC(C)OCC(=O)NC[C@H](O)CNC(=O)c1cc(C#N)c[nH]1 1389071527 CBLMSMJSNXNAAW-NSHDSACASA-N 308.338 -0.482 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)COc1ccc(F)cc1 1399825005 GXQSNYVOHBDNBT-CMPLNLGQSA-N 323.324 -0.043 30 20 DBED CNS(=O)(=O)C[C@@H]1CCCN1S(=O)(=O)CC(C)(C)C#N 1414257768 OVVPGAJMOSFGDB-JTQLQIEISA-N 323.440 -0.120 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CCCN(C(=O)Cn2ncnn2)C1 1415345258 BYNJNMNNWPPBII-MNOVXSKESA-N 305.342 -0.718 30 20 DBED C=C(Cl)CN1CC(O)(CNC(=O)[C@@H](CCC)NC(N)=O)C1 1421492880 HAWXLRIGGOLRAL-SNVBAGLBSA-N 318.805 -0.261 30 20 DBED CCN(CCNC(=O)CN(C)S(C)(=O)=O)C(=O)[C@@H](C)C#N 1431639054 JAXQUEKZRSHENA-JTQLQIEISA-N 318.399 -0.998 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N1CC[C@@]2(CCOC2=O)C1 1434648124 BIZGMSRIRGQDOL-CMPLNLGQSA-N 301.368 -0.038 30 20 DBED COCC(=O)NCCC(=O)N1CCC(NC(=O)[C@H](C)C#N)CC1 1446747752 ZUTAKLOOTLSBFA-LLVKDONJSA-N 324.381 -0.594 30 20 DBED CC(=O)NCC(=O)N(C)C[C@@H](O)CNCc1ccc(C#N)cc1 1486256228 BALUZMVCMUKKFB-HNNXBMFYSA-N 318.377 -0.397 30 20 DBED C[C@@H]1CN2CCN1C[C@@H]2C(=O)NCC1CCN(CC#N)CC1 1527843797 BTXKSRHELXRUSY-UKRRQHHQSA-N 305.426 -0.274 30 20 DBED CCN(CCNC(=O)[C@H](C)C#N)C(=O)[C@@H]1COCCN1CC 1529070272 VPAIWZNAXZYXPC-OLZOCXBDSA-N 310.398 -0.169 30 20 DBED C#CCNC(=O)CNC[C@H]1CCCCN1C(=O)c1cncnc1 1570082508 VFHHCCQQCKGLMP-CQSZACIVSA-N 315.377 -0.190 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC[C@H](NC(=O)CNC(=O)O)C1 1573311271 LADVOYWZLFREMG-QWRGUYRKSA-N 311.338 -0.601 30 20 DBED CC#CC[C@H](N)C(=O)N[C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 1574971351 CMXZPKIOKPDISY-MBNYWOFBSA-N 314.407 -0.420 30 20 DBED CS(=O)(=O)[C@H]1C[C@H](NC(=O)C2CC3(CNC[C@@H]3C#N)C2)C1 1579349188 VVBUZAOPVFCSDF-DQXWKOKRSA-N 311.407 -0.182 30 20 DBED C#CC[C@@H](NC(=O)Cc1c(C)nc2nc(N)nn2c1C)C(=O)O 1588404668 FMTMOGONVQLUTA-SNVBAGLBSA-N 316.321 -0.541 30 20 DBED C#CCN1CCCN(C(=O)c2cccn(CC(=O)O)c2=O)CC1 1588430942 QTMYZWBOSLWEGT-UHFFFAOYSA-N 317.345 -0.286 30 20 DBED C#CCCCS(=O)(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)O 1588447180 RETLFZRNLJJLQP-NSHDSACASA-N 318.395 -0.065 30 20 DBED C#CCN(C(=O)c1ccc(C(=O)O)n1C)[C@H]1CCS(=O)(=O)C1 1588461292 KVRWFMHQUGNYPM-JTQLQIEISA-N 324.358 -0.014 30 20 DBED C#CCNS(=O)(=O)N1CCN(CC2(CC(=O)O)CC2)CC1 1588486402 XWMHETYTZRKXID-UHFFFAOYSA-N 315.395 -0.674 30 20 DBED C=C[C@@H](C(=O)O)N1CCN([C@H](C)C(=O)NCCCOC)CC1 1588669718 NZELQHAWSPPHDQ-OLZOCXBDSA-N 313.398 -0.216 30 20 DBED N#Cc1ncn(CCNC(=O)c2sccc2-c2nn[nH]n2)n1 1592710460 YRRACXBZDCLMRA-UHFFFAOYSA-N 315.322 -0.179 30 20 DBED N#Cc1ccc(CC(=O)N2CCS(=O)(=O)C[C@H]2C(=O)O)cc1 1594618484 QSHBMPRIIJCCRK-LBPRGKRZSA-N 322.342 -0.189 30 20 DBED C#C[C@H]1CCCN(C(=O)C(=O)N2CC[C@@](OC)(C(=O)O)C2)C1 1602677343 USVZUDULGMOBOV-NHYWBVRUSA-N 308.334 -0.440 30 20 DBED C=CCn1cc(C(=O)N(CCN2CCOCC2)CC(=O)O)nn1 1602938171 WUAZWIVMMMFKOX-UHFFFAOYSA-N 323.353 -0.677 30 20 DBED C[C@@H](C#N)C(=O)N(C)C[C@@H](O)CN(C)c1ncc(C(=O)O)cn1 1603130528 XYBFXBXBADABKD-GXSJLCMTSA-N 321.337 -0.410 30 20 DBED CNC(=O)[C@@H]1CN(c2c(C#N)cccc2-c2nn[nH]n2)CCO1 1604879172 USOIVWMHAWHFCG-NSHDSACASA-N 313.321 -0.310 30 20 DBED CN1C[C@H](C(=O)O)N(C(=O)Cc2ccc(C#N)cc2)CC1=O 1606199779 IYTJPRVWUHPCEJ-GFCCVEGCSA-N 301.302 -0.145 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCCN(Cc2nc(O)n[nH]2)C1 1660822859 QTYZYKJPBWIKNK-LLVKDONJSA-N 307.354 -0.369 30 20 DBED C=C(C)CN[C@@H](CNC(=O)Cn1cnc(C(N)=O)n1)C1CC1 1752463875 PDPCGUNRPUGTGX-NSHDSACASA-N 306.370 -0.563 30 20 DBED C#CCNC(=O)CNC1CCC(NC(=O)c2nc[nH]n2)CC1 1752853965 XOACPLZEHXHQNW-UHFFFAOYSA-N 304.354 -0.815 30 20 DBED C#CCNC(=O)CN[C@@H](C)CNC(=O)c1cccnc1OCC 1752915895 DQWPTSUSAYNBAE-LBPRGKRZSA-N 318.377 -0.062 30 20 DBED C#CCN(C)C[C@@H]1CCN(C(=O)CCc2nnc(O)nc2O)C1 1753350550 LRDQZZZKLQFUHR-NSHDSACASA-N 319.365 -0.371 30 20 DBED C#CCNC(=O)CN1CC(NC(=O)c2cnc(CC)s2)C1 1753394520 ZMKZDSVIFPBXCE-UHFFFAOYSA-N 306.391 -0.131 30 20 DBED C#CCCNC[C@H](O)CNC(=O)c1ccc2c(c1)nnn2C 1753915168 PYCMEUGRAGRTOQ-LBPRGKRZSA-N 301.350 -0.328 30 20 DBED C=C(C)CNC[C@H](O)CNC(=O)c1ccc(S(N)(=O)=O)o1 1753917688 NACWAMCMDGGVNY-VIFPVBQESA-N 317.367 -0.817 30 20 DBED C#Cc1cncc(C(=O)NC[C@H](O)CN[C@@H](C)C(=O)N(C)C)c1 1753927818 RKZXTTZAMAKDNJ-SMDDNHRTSA-N 318.377 -0.780 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C1CN(CCNC(=O)NC(C)C)C1 1754575737 ZWXKYJXBLKGGKH-ZDUSSCGKSA-N 324.425 -0.125 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2csnn2)[C@H](C)C1 1754599041 YOTMCVNSEQEHLK-GHMZBOCLSA-N 321.406 -0.130 30 20 DBED C=C(C)CCN1CC(CCO)(NC(=O)[C@H](C)S(C)(=O)=O)C1 1755333153 YOKJPNVJJFIGQV-LBPRGKRZSA-N 318.439 -0.061 30 20 DBED C#CCN1CC(CCO)(NC(=O)[C@@H]2CCn3c(cnc3C)C2)C1 1755336181 JTLZHZCFUMWHRX-CQSZACIVSA-N 316.405 -0.060 30 20 DBED C=CCN1CC[C@H](N[C@H](C)CN(C)C(=O)c2cn(C)nn2)C1=O 1755585435 PXSFJRKVRIMHQB-NEPJUHHUSA-N 320.397 -0.348 30 20 DBED CN(C[C@H](O)CNCC#N)C(=O)CCNC(=O)c1ccco1 1755795538 HEUMGBPEPXTCGU-LLVKDONJSA-N 308.338 -0.668 30 20 DBED CN(CC#N)C[C@H](O)CN(C)C(=O)c1ccc2nc[nH]c2n1 1755801827 JTBHWWMMVAFHHU-JTQLQIEISA-N 302.338 -0.154 30 20 DBED C[C@@H](CNC(=O)CSCC#N)N(C)C(=O)[C@H]1C[C@H]1C(N)=O 1756005632 KRNGIYZEVAGITA-AEJSXWLSSA-N 312.395 -0.672 30 20 DBED C=C[C@H](CC)CC(=O)N1CCO[C@]2(CCN(C(=O)C(N)=O)C2)C1 1756169224 NHTZELLSCGXEGP-MLGOLLRUSA-N 323.393 -0.096 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H](CO)NC(=O)c1ccnn1CC 1756521197 LLSPKUBGKQYSNO-NEPJUHHUSA-N 322.365 -0.852 30 20 DBED CC(=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1CC1)C2 1795057930 UJXZUYIHGNQNPP-AGGWBTHJSA-N 304.346 -0.422 30 20 DBED CC[C@@H](NC(N)=O)C(=O)N1CC2(CCCN2C(=O)CC#N)C1 1842622244 PVGWOYKXTKRCSD-SNVBAGLBSA-N 307.354 -0.450 30 20 DBED Cn1ncnc1C(=O)N1CC2(CCCN2C(=O)C2(C#N)CC2)C1 1842807258 DKRGVWZGYFFVDN-UHFFFAOYSA-N 314.349 -0.064 30 20 DBED C#CC(=O)N1CCCC12CN(C(=O)c1ccn(CCOC)n1)C2 1845959025 ZODIXLRODSQWDK-UHFFFAOYSA-N 316.361 -0.020 30 20 DBED CCCCCCCC(=O)N(C)C[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO 169497105 SBWGZAXBCCNRTM-DHMWGJHJSA-N 321.414 -0.759 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(CCC)[C@H]2CCNC2)C1=O 262601002 XMEHKLGCWXIFHO-NSHDSACASA-N 322.365 -0.436 30 20 DBED COC(=O)[C@@H](CC(C)C)Nc1c(C#N)c(=O)n(C)c(=O)n1C 264170661 VRJGGLWPBLYGFN-SNVBAGLBSA-N 308.338 -0.045 30 20 DBED CC(C)N1C(=O)C[C@@H](NS(=O)(=O)N(C)C[C@@H](C)C#N)C1=O 281851542 YJVTXKQCTKCGPU-VHSXEESVSA-N 316.383 -0.552 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H]2CCOC[C@@H]2C)C1=O 286507835 BEAUIWNMHWKLQQ-WDEREUQCSA-N 323.349 -0.248 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@H](C)N(C)[C@H](C)C2)C1=O 293884865 CYTFCTCAGZFIBV-PHIMTYICSA-N 322.365 -0.486 30 20 DBED C=CCN(C)C(=O)C(=O)N1CCN(CC(=O)N(CC)CC)CC1 297683247 DOPZUNSFPCELJP-UHFFFAOYSA-N 324.425 -0.357 30 20 DBED C#CCN(C)C(=O)C(=O)N1CCN(CCC(=O)OC)C[C@H]1C 297954555 VDYWYQUHZPLRJM-GFCCVEGCSA-N 309.366 -0.826 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@@H](C)OC[C@H]2CC)C1=O 299694604 MWBVKADPZOPLKR-GHMZBOCLSA-N 323.349 -0.011 30 20 DBED N#Cc1ccc(NC(=O)CN2CCN3C(=O)NC(=O)[C@@H]3C2)cc1 332568107 VBVOXLMANUQHBY-LBPRGKRZSA-N 313.317 -0.267 30 20 DBED CC(C)N1CC[C@@H](NS(=O)(=O)N2CCO[C@@H](C#N)C2)C1=O 337079476 WGKXDWMDBVHCDM-WDEREUQCSA-N 316.383 -0.946 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N(CCOC)CC(=O)OC 337085500 DKMMNVULYWIGGS-LLVKDONJSA-N 321.399 -0.166 30 20 DBED CN(C)C(=O)[C@@H]1CSCN1S(=O)(=O)N(C)CCC#N 338427201 VZTNAPOXPJKUDU-VIFPVBQESA-N 306.413 -0.460 30 20 DBED Cc1cccc([C@@H](CC(=O)NCC(=O)NCC#N)NC(N)=O)c1 343537741 BFOUNENLXSZOLS-GFCCVEGCSA-N 317.349 -0.150 30 20 DBED Cc1ccccc1[C@@H](CC(=O)NCC(=O)NCC#N)NC(N)=O 344167003 SOIBQIJJLMZPDR-GFCCVEGCSA-N 317.349 -0.150 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N[C@@H]1CCC[C@@H]1C(=O)NC 345578543 DOQTZDIZBBRYEG-NWDGAFQWSA-N 311.382 -0.322 30 20 DBED C=CCN1CC[C@H](N(C)S(=O)(=O)CCC(=O)OCC)C1=O 351983384 SIWSGECWVTXKFS-NSHDSACASA-N 318.395 -0.012 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 354776720 CJTDDWJTSIGGBD-NEPJUHHUSA-N 315.395 -0.201 30 20 DBED N#CCNC(=O)CNC(=O)N1CCC[C@@H]1CN1CCOCC1 358312216 LLVXWIBXOGRPRU-GFCCVEGCSA-N 309.370 -0.868 30 20 DBED C[C@H](C(=O)N(C)CCC#N)N1CCCN(S(C)(=O)=O)CC1 408089401 NHPQZLXOVLVIFX-GFCCVEGCSA-N 316.427 -0.286 30 20 DBED Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCC#CCO)cc1 412322475 DHLVYLSPGCWVCI-LBPRGKRZSA-N 310.375 -0.226 30 20 DBED C=CCS(=O)(=O)N(C)CC(=O)N1CCC[C@@H](C(N)=O)C1 435670942 IDWILZWBMFVSLK-SNVBAGLBSA-N 303.384 -0.842 30 20 DBED C=CC[C@@H](CC)NC(=O)C(=O)Nc1ccn(CC(=O)N(C)C)n1 440281414 KKZOINQUMKAUNP-LLVKDONJSA-N 321.381 0.381 30 20 DBED C#CCN(CC#CC)CC(=O)N1CCN(CC(=O)N(C)C)CC1 490838421 BNOFVGIBNKWSIA-UHFFFAOYSA-N 318.421 -0.823 30 20 DBED C[C@@H](C#N)CNC(=O)Cn1ccc2c(=O)n(C)c(=O)n(C)c21 525801012 ZXKDJOZACBNYJL-VIFPVBQESA-N 303.322 -0.685 30 20 DBED CC[C@H](NS(=O)(=O)CC1(C#N)CC1)C(=O)N1CCOCC1 545210402 JFVBCELSCLUOSP-NSHDSACASA-N 315.395 -0.153 30 20 DBED CC(C)(CC#N)CS(=O)(=O)N(CCO)CCOCCO 567124197 BPEFFAYLGYOSLX-UHFFFAOYSA-N 308.400 -0.441 30 20 DBED COCCN(CCC#N)S(=O)(=O)NCCCCC(=O)O 583088277 ZQFPSMZROCNWMM-UHFFFAOYSA-N 307.372 -0.062 30 20 DBED COC[C@H]1CCCN1C(=O)C(=O)NC1CCN(CC#N)CC1 588126274 HJLQKGYGMMHDRU-CYBMUJFWSA-N 308.382 -0.272 30 20 DBED CCN1CCN(C(=O)CNC(=O)c2cccc(C#N)n2)CC1 592948682 ITHVYTIYWFECMT-UHFFFAOYSA-N 301.350 -0.153 30 20 DBED C[C@H](CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N)C(=O)O 594528076 QGQLYTMRNDRPAP-MRVPVSSYSA-N 321.337 0.285 30 20 DBED CN(CCN(C)C1CC1)C(=O)C(=O)N1CCN(CCC#N)CC1 601475848 SDKUUIVQSVIHRB-UHFFFAOYSA-N 321.425 -0.403 30 20 DBED N#C[C@H]1CN(C(=O)Nc2cnn(CC(=O)NC3CC3)c2)CCO1 610477874 DUIKHRMGYKIKDB-LBPRGKRZSA-N 318.337 -0.082 30 20 DBED N#Cc1ccc(Cl)c(NC(=O)C(=O)NCc2nn[nH]n2)c1 610679438 QMUALLAOAUYCGR-UHFFFAOYSA-N 305.685 -0.020 30 20 DBED C=C(C)CN(CC)C(=O)Cn1cc(CNS(C)(=O)=O)nn1 640793110 ATKNVRPZALWSSG-UHFFFAOYSA-N 315.399 -0.248 30 20 DBED C#CCCN1CCC(NC(=O)[C@H]2CN3CCCN2CC3)CC1 764327093 PVQLTJUIIJYILP-MRXNPFEDSA-N 304.438 -0.020 30 20 DBED COCCC(=NNC(=S)NCC(N)=O)C1CCOCC1 764910970 XFMYKMJNSLEAOL-UHFFFAOYSA-N 302.400 -0.245 30 20 DBED COC[C@H](C#N)OC(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1 785367332 QDGPEYSPIGMLGX-BDAKNGLRSA-N 316.339 -0.831 30 20 DBED C#CCNC(=O)[C@@H](C)OC(=O)[C@@H]1COCCN1CC(F)F 786946105 KOOHAJFEQLFBDQ-ZJUUUORDSA-N 304.293 -0.367 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N[C@H](C)C(=O)N(C)CC 788828772 VLEJRBIXUXMZRO-SNVBAGLBSA-N 305.400 -0.247 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)COCC(=O)OC 803804659 BOPHFFSBSISTIR-QMMMGPOBSA-N 302.283 -0.881 30 20 DBED C#C[C@H](NC(=O)C(=O)NCc1cc(CC)[nH]n1)[C@@H]1CCCO1 805852174 WGZWDCAIFYRBIE-STQMWFEESA-N 304.350 -0.115 30 20 DBED C#CCO[C@@H](C)C(=O)OCC(=O)NC(=O)N[C@H](C)COC 837853510 WFNINHDPTNWJDU-ZJUUUORDSA-N 300.311 -0.571 30 20 DBED C#CCOCCNC(=O)N1CCN(C(COC)COC)CC1 840345247 PMPHYFMGOHPGGK-UHFFFAOYSA-N 313.398 -0.375 30 20 DBED C#CC[C@H](CO)NC(=O)CNS(=O)(=O)c1ccccc1N 854543784 YAJGQFZMDNMOTA-SNVBAGLBSA-N 311.363 -0.953 30 20 DBED C#CCNC(=O)COC(=O)c1ccc(NS(C)(=O)=O)nc1 859921800 GCWNICKBYWCZEM-UHFFFAOYSA-N 311.319 -0.641 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)NC[C@H]1CC(=O)N(CC)C1 875440526 FLRMKRUNXGSXSR-OLZOCXBDSA-N 323.393 -0.484 30 20 DBED C#CC1(O)CN(C(=O)NC[C@H](n2cncn2)C(F)(F)F)C1 896099892 FXTRIMUFRPIGPY-QMMMGPOBSA-N 303.244 -0.229 30 20 DBED C[C@](C#N)(NC(=O)COC(=O)CN1CCCNC1=O)C1CC1 915435509 PNIVJXOOOWNZNZ-CQSZACIVSA-N 308.338 -0.247 30 20 DBED CO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1NC(=O)C1=COCCO1 941102044 ZWLLBJFIXJWMLO-GMTAPVOTSA-N 309.322 -0.624 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2cn(C)c(=O)nc2O)[C@@H](C)C1 944904953 AGTGNFPRLWFZDN-AAEUAGOBSA-N 318.377 -0.051 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(CC1)CN(C(=O)c1nnn(C)n1)C2 945035411 OHEJDSFCWXUVJZ-JTQLQIEISA-N 317.353 -0.566 30 20 DBED NC(=O)CC(=O)N1CC[C@H]2CN(C(=O)C#CC3CC3)CC[C@@H]21 945950888 FXDGEURFQQGWBJ-STQMWFEESA-N 303.362 -0.275 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)c1cnnn1C)CCO2 949086574 KUHYDGQPNOMROB-UHFFFAOYSA-N 303.366 -0.245 30 20 DBED Cc1nc(C(=O)N(C)C2CN(C(=O)[C@@H](C)C#N)C2)c(=O)[nH]c1C 954588850 XONYMTBCAAVFFP-QMMMGPOBSA-N 317.349 -0.171 30 20 DBED CC#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cnc(N(C)C)cn2)C1 958068207 GBIGRKLYRKKHMS-GXTWGEPZSA-N 317.393 -0.412 30 20 DBED C=CCn1cc(C(=O)N[C@H]2[C@@H]3CN([C@@H](C)C(=O)NC)C[C@@H]32)nn1 961996180 XIZVFOQAPVUNCO-MEWQQHAOSA-N 318.381 -0.741 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)Cn1cnnn1 963520959 QCVGJXJUAPWMCE-IJLUTSLNSA-N 317.353 -0.575 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CN(C(=O)c3cnon3)CCO2)C1 965453168 OVPWHMVPMOCEKI-SECBINFHSA-N 305.294 -0.717 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H](NC(=O)[C@@H]2CCC(=O)N2C)C1 965988742 BKZAUEODVBYFBY-UTUOFQBUSA-N 306.366 -0.126 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C2CN(C(=O)[C@@H]3CCCO3)C2)CC1 967246322 YOJFFDCAFFNPMS-JSGCOSHPSA-N 320.393 -0.320 30 20 DBED C=C(Cl)CN[C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 969567701 VAZBPAIOGFPZHU-LLVKDONJSA-N 300.790 -0.639 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@@H](NCc3nnnn3C)C2)cn1 970519224 IVUPVDDULZHIJU-CYBMUJFWSA-N 311.349 -0.409 30 20 DBED CN1CCOC[C@H]1C(=O)N1CC[C@]2(CN(CC#N)CCO2)C1 972348408 MNBHDKSZRVGLGP-ZFWWWQNUSA-N 308.382 -0.856 30 20 DBED C#CCCN1C[C@@H]2CC[C@@H](NC(=O)Cn3ncnn3)C[C@H]2C1 979705633 AZBJIMSQVOQMGO-MELADBBJSA-N 302.382 -0.087 30 20 DBED C#CCN1C[C@H]2C[C@H](NC(=O)CN3C(=O)CNC3=O)CC[C@H]2C1 980242491 HVLSZONVSYSHCT-YNEHKIRRSA-N 318.377 -0.612 30 20 DBED CN(C(=O)Cn1ncnn1)[C@H]1CCCN(C(=O)C#CC2CC2)C1 984189298 QBQXYJKMRRLLFH-ZDUSSCGKSA-N 316.365 -0.464 30 20 DBED CN(CC#N)C1CCN(C(=O)[C@H]2CCN(C)S2(=O)=O)CC1 985696816 MACPGIBIRZFRNJ-GFCCVEGCSA-N 314.411 -0.533 30 20 DBED C#CCN(C)C1CCN(C(=O)CN2C(=O)NC(=O)C2(C)C)CC1 985743482 XSDGETQDTRQWOD-UHFFFAOYSA-N 320.393 -0.127 30 20 DBED N#CCN1CCN(C(=O)N2CCN(C(=O)C3CC3)CC2)CC1 985824481 GAXFSKSUMZSSAN-UHFFFAOYSA-N 305.382 -0.198 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@H](NC(=O)c2nc[nH]n2)[C@H](O)C1 991668252 VGNFFQLXLRGVOI-VHSXEESVSA-N 307.354 -0.292 30 20 DBED C#CCN[C@@H]1CCC[C@H]2CN(C(=O)CCn3cnnn3)C[C@H]21 992882297 ZFSBQNGNCLVZLT-BFHYXJOUSA-N 302.382 -0.087 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1CNC(=O)[C@@H]1CNC(=O)N1 994522372 IOVHKCIGMWHXPS-RTXFEEFZSA-N 318.377 -0.708 30 20 DBED C=CC(C)(C)C(=O)N1CC(OC2CCN(C(=O)C(N)=O)CC2)C1 994823512 ZVFJOQTUHSAOKA-UHFFFAOYSA-N 323.393 -0.098 30 20 DBED N#Cc1cc(C(=O)N2CC(NC(=O)[C@@H]3CCC(=O)NC3)C2)c[nH]1 995136066 BRAKHIOTCVCUDG-SECBINFHSA-N 315.333 -0.647 30 20 DBED CCC(=O)N[C@H]1CC(=O)N(C2CN(C(=O)C#CC3CC3)C2)C1 995460386 ITMPIWVLDLOIIN-LBPRGKRZSA-N 303.362 -0.262 30 20 DBED CN1C(=O)CCC[C@@H]1C(=O)NC1CN(C(=O)C#CC2CC2)C1 997710678 KNQSBSJGMHGPPZ-CYBMUJFWSA-N 303.362 -0.262 30 20 DBED CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N2CCC[C@@H](NCC#N)C2)O1 1000176222 KLEQPGHXMBXRBV-FRRDWIJNSA-N 308.382 -0.274 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1CCCN(CC(=O)NC)C1 1007519306 NYECTVMWSMVOIE-KBPBESRZSA-N 306.410 -0.589 30 20 DBED N#CCN1CCC[C@H](NC(=O)[C@H]2CCc3nnc(O)n3C2)C1 1007689225 XOTLZUSBJGTHIN-QWRGUYRKSA-N 304.354 -0.350 30 20 DBED CC#CCN1CCC[C@H](NC(=O)CN2CC(=O)N(C)C2=O)C1 1009190422 RMAZGBMLDVUGLK-LBPRGKRZSA-N 306.366 -0.516 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C(=O)CCn2cnccc2=O)CC1 1012328230 QCQSIDUXVPZUTO-GFCCVEGCSA-N 317.349 -0.536 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CC[C@H](C)N(C(=O)C(N)=O)C2)nc1 1018299008 PDKBSZFLUFXTML-CMPLNLGQSA-N 314.345 -0.343 30 20 DBED Cn1nccc1C(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1023173103 PAJGDTUUVWLGDO-DGCLKSJQSA-N 302.334 -0.865 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(O)nc2)C1 1025643986 GJTWDHDWDZCMDB-FBIMIBRVSA-N 304.306 -0.752 30 20 DBED N#CCN1CC[C@@H](CNC(=O)[C@@H]2COCCN2CC(F)F)C1 1028712644 WMFHEFQVWPVYQM-RYUDHWBXSA-N 316.352 -0.086 30 20 DBED C#CCCN1CC(NC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1 1030951473 WAMIVCCJWVIBAA-LSDHHAIUSA-N 319.405 -0.020 30 20 DBED C#CCN1CCC(C(=O)NC2CN([C@@H]3CCN(C)C3=O)C2)CC1 1031435037 NTXVETHZHKRLKS-OAHLLOKOSA-N 318.421 -0.637 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCC1CN(Cc2cnnn2C)C1 1031741403 YQRVAEIXXGUQLD-HNNXBMFYSA-N 316.409 -0.539 30 20 DBED C=CCN1C[C@@H]2C[C@H]1CN2C(=O)Cn1nc2ccccn2c1=O 1032550514 VKJCLUALBDHWJR-STQMWFEESA-N 313.361 -0.033 30 20 DBED C#CCN1CC[C@H]2CN(C(=O)Cn3ncn(C)c3=O)CC[C@H]21 1036753777 WBXDRPHVACBLLD-QWHCGFSZSA-N 303.366 -0.862 30 20 DBED C#CCN1CC[C@@H]1CNC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 1038539956 GFGHJDBJDQNRGZ-OAGGEKHMSA-N 321.421 -0.310 30 20 DBED C=CCCn1cc(C(=O)NC[C@@H]2CCN2[C@@H]2CCNC2=O)nn1 1038789603 JQWAXDQJWPMPLK-WCQYABFASA-N 318.381 -0.453 30 20 DBED C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CN1C(=O)CN(C)C1=O 1039467374 HDKPZUWCAMRCOA-OLZOCXBDSA-N 318.377 -0.421 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@]1(O)CCN(C(=O)C(C)(C)F)C1 1039721424 LFBXLDGZIWECPG-NHYWBVRUSA-N 314.357 -0.148 30 20 DBED C=CCCOCC(=O)NC[C@@]1(O)CCN(C(=O)c2ncc[nH]2)C1 1040161504 NGDZDPOMOYJHEG-HNNXBMFYSA-N 322.365 -0.304 30 20 DBED C#CCN1CC[C@]2(CCN(C(=O)c3cn(C)c(=O)nc3O)C2)C1 1041828091 SEEPPVDZBLRQTL-INIZCTEOSA-N 316.361 -0.343 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)c2c[nH]c(C(N)=O)c2)C1 1041963385 MZAIVRSNVUQQPR-UHFFFAOYSA-N 320.349 -0.617 30 20 DBED Cc1[nH]nc(C(=O)NCC2(O)CN(C(=O)C#CC(C)C)C2)c1O 1042573279 YJUCYHDQIBCKAD-UHFFFAOYSA-N 320.349 -0.614 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(O)(CNC(=O)Cc2ccoc2)C1 1042731811 FRLJWRCTESOQCV-HNNXBMFYSA-N 322.361 -0.161 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)c2cn(CC)nn2)C1 1042799459 MRDKVYZSXMJXEF-UHFFFAOYSA-N 319.365 -0.595 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)c2n[nH]cc2F)C1 1042801853 WQCPAUXAEFNVAO-UHFFFAOYSA-N 308.313 -0.345 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)[C@H]2CCNC(=O)C2)C1 1042803358 XMQAQSDYXPZCAJ-LBPRGKRZSA-N 321.377 -0.994 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)[C@H](C)Cc2cnc[nH]2)C1 1043226240 SLGDHPPNCYHNDW-MNOVXSKESA-N 319.365 -0.563 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)CCc2ccn(C)n2)C1 1043318572 PCWPAKJUEHVVQB-LLVKDONJSA-N 319.365 -0.798 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)CNC(=O)OC)C1 1044483945 DNJUNCXGNZZJGQ-UHFFFAOYSA-N 313.354 -0.756 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)[C@H]2CCO[C@@H]2C)C1 1045292664 IOOUVTMUQITBDM-NEPJUHHUSA-N 312.366 -0.697 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)[C@H]2CCO[C@H]2C)C1 1045293989 UGKUYGZJFBJINZ-STQMWFEESA-N 308.378 -0.240 30 20 DBED Cc1nn[nH]c1C(=O)N1CCN([C@H]2CCN(CC#N)C2)CC1 1046050763 OPSSMELFUIPERZ-LBPRGKRZSA-N 303.370 -0.531 30 20 DBED CN(C(=O)c1c(C2CC2)cnn1C)[C@H]1CN(CC#N)C[C@@H]1O 1047406040 JHBWVBHPTODLFL-STQMWFEESA-N 303.366 -0.062 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCN(C(N)=O)C2)C1 1047449953 MMXOSXIGFRAQQN-AGIUHOORSA-N 310.398 -0.533 30 20 DBED Cc1nnc2n1C[C@@H](C(=O)N(C)[C@H]1CN(CC#N)C[C@@H]1O)CC2 1047638178 FNYSHPSYTTWRMK-AVGNSLFASA-N 318.381 -0.824 30 20 DBED C=CCO[C@@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CSC)C1 1048184290 NPCDEAUBMMDOLS-SRVKXCTJSA-N 316.423 -0.029 30 20 DBED C=CCOCC(=O)N(C)[C@H]1CN(C(=O)C[C@@H](C)OC)C[C@@H]1O 1048554742 FQQMRMSQPCDPLL-AGIUHOORSA-N 314.382 -0.356 30 20 DBED C#CCCN1C[C@H]2CN(C(=O)[C@@H]3CCS(=O)(=O)C3)C[C@H]2C1 1048924071 OIMKCUKBQAQRHN-MCIONIFRSA-N 310.419 -0.165 30 20 DBED C=CCCN1C[C@H]2CN(C(=O)CCn3ncn(C)c3=O)C[C@H]2C1 1048957226 GTVXRIAYKNVKOC-OKILXGFUSA-N 319.409 -0.062 30 20 DBED C[C@@H]1[C@@H](NC(=O)[C@H]2CNC(=O)N2)CCN1c1cnc(C#N)cn1 1050952216 NIQFLLYHXXBXQQ-DVVUODLYSA-N 315.337 -0.887 30 20 DBED C[C@@H]1[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)CCN1c1ccc(C#N)nn1 1051011520 NSSJUOHTOJBIBZ-YJQGPUDQSA-N 314.349 -0.447 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1C 1052501407 AXAOFMLHXZYYKS-NEPJUHHUSA-N 321.381 -0.158 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)C[C@@H]1CCC(=O)N1)CCO2 1053468885 DGUMMMNFCKVHGY-ZDUSSCGKSA-N 305.378 -0.408 30 20 DBED C#CCN1CC2(C1)CN(C(=O)c1cn(CC3CC3)nn1)CCO2 1053487209 HBSHSTJCQOUSJM-UHFFFAOYSA-N 315.377 -0.152 30 20 DBED C#Cc1ccc(C(=O)N2CCOC3(CN(CCCO)C3)C2)cn1 1053511899 GZSNSUJBUCYGIV-UHFFFAOYSA-N 315.373 -0.028 30 20 DBED COc1nccc(C(=O)NC[C@H]2CCC3(CN(CC#N)C3)O2)n1 1053630912 MJCVIQPFGPMDIL-LLVKDONJSA-N 317.349 -0.028 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)Cn3nc(C)ccc3=O)CO2)C1 1053987205 JWUNEUAANJXVNL-CYBMUJFWSA-N 316.361 -0.856 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@](CO)(NC(=O)c2cnsn2)C1 1055798223 NKYQTDPUOZWYLF-ZANVPECISA-N 323.378 -0.219 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@](CO)(NC(=O)C2=CCOCC2)C1 1055898014 GGPMYSOCSWILIG-MLGOLLRUSA-N 321.377 -0.038 30 20 DBED N#Cc1cnc(N2CCN(C(=O)C[C@@H]3CCNC3=O)CC2)cn1 1055924939 ZFZMNEKWCXNSLW-NSHDSACASA-N 314.349 -0.477 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@]1(CO)CCCN(C(=O)COC)C1 1055986292 IBVDTQPFUQGXGM-WFASDCNBSA-N 314.382 -0.306 30 20 DBED C=C[C@H](CC)CC(=O)N[C@]1(CO)CCCN(C(=O)C(N)=O)C1 1056066046 SZOKUWJJULFLMT-IAQYHMDHSA-N 311.382 -0.456 30 20 DBED CN1CCC[C@H]1C(=O)N[C@H]1[C@@H]2CN(c3nccnc3C#N)C[C@@H]21 1056149574 MPSJDINQJMVWGI-UZGDPCLZSA-N 312.377 -0.007 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](N(C)c2ncnc3c2nnn3C)C1 1056871423 KLXZXBZTMDQBEM-ZJUUUORDSA-N 314.353 -0.045 30 20 DBED C=CCCO[C@H](C)C(=O)NCCN(CCO)C(=O)[C@@H](C)OC 1057112950 UTAPRKHBRUSVKI-CHWSQXEVSA-N 316.398 -0.060 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)[C@@H](C)COC 1057193647 NFJXQQLWJZJWIN-LBPRGKRZSA-N 302.371 -0.591 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)[C@H](C)NC(C)=O 1057439622 UPKBTJAPCXGVKZ-LBPRGKRZSA-N 311.382 -0.748 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)Cn1ccnc1C 1057447091 ORMKOEHVZKPMHF-UHFFFAOYSA-N 320.393 -0.068 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)[C@@H]1C[C@H](C)CO1 1058331278 INYYPFFHDMRPLI-STQMWFEESA-N 314.382 -0.449 30 20 DBED C=C[C@@H](CC)CC(=O)N(CCO)CCNC(=O)Cn1cnnn1 1058466487 OWJJOXSLZQTYBU-LBPRGKRZSA-N 324.385 -0.788 30 20 DBED N#Cc1nc(=N[C@H]2CCN(C(=O)CC3OCCCO3)C2)cc[nH]1 1058870262 QLAJXNDRMJQQJF-NSHDSACASA-N 317.349 -0.064 30 20 DBED C=CCCOCC(=O)NCCN(CCO)C(=O)c1ccnnc1 1058938219 LYGGTXMHXIUCHR-UHFFFAOYSA-N 322.365 -0.380 30 20 DBED C[C@@H](C#N)C(=O)NCC[C@@H]1CCN(C(=O)CCNC(N)=O)C1 1059631724 KHSMYHPFUWLNKP-WDEREUQCSA-N 309.370 -0.441 30 20 DBED C=CCCC(=O)NC[C@H]1COCCN1C(=O)[C@H]1COC(=O)N1 1061408447 VMGSHOOGUUQAFS-WDEREUQCSA-N 311.338 -0.595 30 20 DBED CN(C(=O)c1cn(C)nn1)[C@@H]1CCN(c2ccc(C#N)nn2)C1 1062923818 BSBXWYZMONWUTC-LLVKDONJSA-N 312.337 -0.172 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(NC(=O)[C@@H]2CCNC2=O)CCC1 1063046218 JSYVAYOIAKDTBC-VXGBXAGGSA-N 321.377 -0.684 30 20 DBED C#CCO[C@@H](C)C(=O)NC1(CNC(=O)[C@H](C)CC(N)=O)CCC1 1063902513 DOMLLRPYWQEFGJ-NEPJUHHUSA-N 323.393 -0.309 30 20 DBED N#Cc1nccc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)Cn2cccn2)n1 1064217356 ROLKTZOTLAEKHG-JRPNMDOOSA-N 309.333 -0.062 30 20 DBED CC(C)(C)C#CC(=O)N1CC2(C1)CN(C(=O)CC(N)=O)CCO2 1068364075 YEPVHXXOWKSXSF-UHFFFAOYSA-N 321.377 -0.649 30 20 DBED C[C@@H]1C[C@@H](Nc2cnc(C#N)cn2)CN1C(=O)Cn1ncnn1 1069151946 JSLZFUYTLUMHEX-NXEZZACHSA-N 313.325 -0.564 30 20 DBED CN(C(=O)c1nnn(C)n1)C1CC(N=c2cc[nH]cc2C#N)C1 1069790075 ODBSCYFVNMNGRV-UHFFFAOYSA-N 312.337 -0.386 30 20 DBED C=CCN1CCn2ncc(CNC(=O)[C@@H]3CN(C)C(=O)N3)c2C1 1069869568 RTWCLOVFIJQTQK-LBPRGKRZSA-N 318.381 -0.476 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2cnn(CC)n2)C1 1069921695 VTAVICQEAUDUMP-OLZOCXBDSA-N 314.353 -0.822 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)CC(=O)NC)C1 1070653943 PAFFLONVDBIJOQ-UPJWGTAASA-N 323.393 -0.179 30 20 DBED CC#CCN1CC[C@@]2(C1)CN(C(=O)c1nnn(C)n1)C[C@@H](C)O2 1071199366 LBWGJQOHHOBTPP-IUODEOHRSA-N 318.381 -0.461 30 20 DBED CC#CCN1C[C@@H](NC(=O)Cn2ncn(C)c2=O)CC[C@H]1C 1071625332 OBZMLBZECIDSEQ-OLZOCXBDSA-N 305.382 -0.426 30 20 DBED C#CCN1C[C@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)CC[C@H]1C 1071966476 FJGQVUNLBCZJOC-VXGBXAGGSA-N 320.393 -0.081 30 20 DBED C=CCCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)Cn2ncnn2)C1 1072637068 YCKKUBUUXQDHAS-NEPJUHHUSA-N 306.370 -0.008 30 20 DBED CC#CCN1CCO[C@H]2CCN(C(=O)Cn3cnnc3O)C[C@H]21 1074218664 CCZPXFVUKGZTNM-OLZOCXBDSA-N 319.365 -0.691 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CCN(C(=O)Cn2cccn2)CC1 1074469526 ALJMWUANOJXRMJ-LBPRGKRZSA-N 319.365 -0.488 30 20 DBED C[C@H]1[C@@H](NCC#N)CCN1C(=O)[C@H]1CCN(C)S1(=O)=O 1074962179 HAHQCQRMNKYPIR-GARJFASQSA-N 300.384 -0.877 30 20 DBED C#CCOCCC(=O)N[C@H]1CCN(C(=O)CNC(N)=O)[C@H](C)C1 1074990837 MAUHHLSONNZHHN-NEPJUHHUSA-N 324.381 -0.810 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC[C@H](C)NC(=O)CC(=O)NCC 1076300842 WDPWPQYXHPCVJK-XHDPSFHLSA-N 313.398 -0.149 30 20 DBED C[C@@H](CCNC(=O)Cn1ncnn1)NC(=O)C#CC(C)(C)C 1076649764 YPRLHUJHWXEISI-NSHDSACASA-N 306.370 -0.266 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)Cc2cn3cc(F)ccc3n2)C1 1077461201 OIMLWIGLYLPSNJ-ZIAGYGMSSA-N 316.336 -0.190 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC(=O)Nc3ccccc32)C1 1077478616 JVSBXNFUABKJHF-NWANDNLSSA-N 313.357 -0.093 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN([C@@H](CC)C(N)=O)C[C@H]2O)cc1 1077495019 NWFRHTZYMBTJSW-QLFBSQMISA-N 315.373 -0.293 30 20 DBED C=C(C)CCC(=O)N[C@@H](C)CCNC(=O)CN1CC(=O)NC1=O 1077819257 OBJDGPZYLLHRTC-NSHDSACASA-N 324.381 -0.095 30 20 DBED CC(C)c1nnnn1CC(=O)N[C@@H](C)CCNC(=O)[C@@H](C)C#N 1078133700 SOXBVIBFOJZOGW-QWRGUYRKSA-N 321.385 -0.033 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(N(CC)C(=O)[C@H]2CCNC2=O)C1 1080214748 QGDZYZWLWIAVDI-YPMHNXCESA-N 321.377 -0.780 30 20 DBED CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)c2nnc(O)nc2O)C1 1080412840 JGCZHZMNCUFRJB-ZETCQYMHSA-N 320.309 -0.885 30 20 DBED C#CCNC(=O)CC(=O)N1CC(N(CC)C(=O)[C@@H]2CC23CC3)C1 1080624586 UTAGLRQFGVPMEV-ZDUSSCGKSA-N 317.389 -0.015 30 20 DBED C[C@H](C#N)C(=O)NC1(CO)CCN(C(=O)C(C)(C)C(N)=O)CC1 1080982000 QJVBQAYVZBIYKR-SNVBAGLBSA-N 324.381 -0.873 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2ccnn2C)C1 1081322267 SMQBSSLMUWUWRE-YPMHNXCESA-N 322.365 -0.828 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H]1CN(C(=O)CC(C)C)C[C@@H]1O 1081417352 SBGBQYIJKUHIAS-OLZOCXBDSA-N 323.393 -0.893 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(C(=O)CSC)C[C@@H]1O 1081484832 CLLBMNVBHRNJDW-NEPJUHHUSA-N 314.407 -0.675 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cnn(C)n2)C1 1081600638 IOJJRJXRJYLTLK-YPMHNXCESA-N 319.365 -0.976 30 20 DBED C=CCC1(C(=O)NC[C@H]2CN(C(=O)C(N)=O)C[C@@H]2O)CCC1 1081740830 BHIAEMPFDCYRNQ-QWRGUYRKSA-N 309.366 -0.846 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@H]2CCc3nncn3CC2)[C@H](OC)C1 1081959734 VGKTXUXQHPHKRQ-BFHYXJOUSA-N 317.393 -0.321 30 20 DBED CC#CCN1C[C@@H](NC(=O)[C@H](C)N2CCOCC2)[C@H](OC)C1 1082400306 PVNURFQDJKGOGL-RRFJBIMHSA-N 309.410 -0.454 30 20 DBED Cc1nc2c([nH]1)C[C@H](C(=O)N[C@@H]1CN(CC#N)C[C@@H]1O)CC2 1083583376 DBYWERBFPQZWJX-HONMWMINSA-N 303.366 -0.492 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(Cc2cnn(C)c2)C[C@@H]1O 1083789428 AUSIIDODFWQISM-KBXIAJHMSA-N 320.393 -0.328 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)c2cccn3c(O)nnc23)C1 1083947832 CDOPUTIJVVOWFG-NEPJUHHUSA-N 317.349 -0.214 30 20 DBED C=CCn1cc(C(=O)N(C)C[C@@H]2CCN2[C@H]2CCNC2=O)nn1 1085862340 WOIWVCDHCAINIQ-AAEUAGOBSA-N 318.381 -0.501 30 20 DBED Cn1cc([C@@H]2CN(C(=O)[C@@]3(F)CCOC3)C[C@H]2NCC#N)cn1 1086993905 YXHCTEBXKPXJIL-GZBFAFLISA-N 321.356 -0.044 30 20 DBED C=CCN1CC[C@@H](NC(=O)c2cnc3[nH]nnc3c2)[C@@H](O)C1 1090327354 QRGHFRJKGYNODL-PWSUYJOCSA-N 302.338 -0.296 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cncc3ncn(C)c23)[C@H](O)C1 1090332660 BZQJAKSGRFDYIJ-GXTWGEPZSA-N 313.361 -0.234 30 20 DBED C=CCCN1CC[C@H](NC(=O)CN2CCCNC2=O)[C@@H](O)C1 1090387737 ARKYUKRGHVDANN-STQMWFEESA-N 310.398 -0.471 30 20 DBED CC(C)(O)CC(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@H]1O 1090413024 IDDWCKNZLOQPTG-VXGBXAGGSA-N 304.350 -0.220 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(c2ncc(Cl)cn2)C[C@H]1O 1090494576 HETYOVSPQVAMBI-VXGBXAGGSA-N 324.768 -0.164 30 20 DBED CC#CCN1CC[C@@H](NC(=O)Cn2nc(C)ccc2=O)[C@H](O)C1 1090747290 ICKXLUQLFHFEFB-ZIAGYGMSSA-N 318.377 -0.874 30 20 DBED C[C@@]12CN(CC#N)C[C@@H]1CN(C(=O)CC[C@H]1NC(=O)NC1=O)C2 1092259687 KWOUAUIDZMPKOE-HFAKWTLXSA-N 319.365 -0.722 30 20 DBED N#Cc1cnc(N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)CNC(N)=O)cn1 1092938235 ZPLXQNTZNWWTTR-MXWKQRLJSA-N 315.337 -0.758 30 20 DBED C[C@H](C#N)C(=O)N1CCC(OC2CN([C@H]3CCNC3=O)C2)CC1 1093517665 VZTFXSCHODCNBZ-RISCZKNCSA-N 320.393 -0.274 30 20 DBED C=CCCN1CC(N2C[C@@H](NC(=O)Cc3ncc[nH]3)CC2=O)C1 1094803189 IWDAJOTZZPOBJL-LBPRGKRZSA-N 317.393 -0.070 30 20 DBED CC(=O)N[C@@H](C)C(=O)NC1CCN(c2nccnc2C#N)CC1 1095387654 NHCHBDDRHMVKRE-JTQLQIEISA-N 316.365 -0.042 30 20 DBED N#Cc1nccnc1N1CCC(NC(=O)C2(C(N)=O)CC2)CC1 1095444676 YTLYORZQVQCXMP-UHFFFAOYSA-N 314.349 -0.301 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CCCN(c2cnc(C#N)cn2)C1 1096161654 SZJKTJIQLUNKGH-SNVBAGLBSA-N 302.338 -0.431 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCN(c2ccc(C#N)nc2)C1 1096360522 ODPSEUYDHJOBRW-CYBMUJFWSA-N 311.345 -0.212 30 20 DBED Cc1cc(C#N)nc(N2CC[C@@H](NC(=O)[C@@H](C)CC(N)=O)C2)n1 1096459237 ZXXPKTKEYKIXDY-GXSJLCMTSA-N 316.365 -0.137 30 20 DBED C[C@H](CNC(=O)C[C@H]1CCC(=O)N1)N=c1cc[nH]cc1C#N 1097950680 UCXSPYNWCSNENW-ZYHUDNBSSA-N 301.350 -0.040 30 20 DBED C[C@H](CNC(=O)CN1CC(=O)NC1=O)Nc1ccc(C#N)nc1 1098007699 GHTGVAICARHLGO-SECBINFHSA-N 316.321 -0.578 30 20 DBED C[C@H](CNC(=O)[C@H]1CCC(=O)N1C)Nc1cncc(C#N)n1 1098231125 XRJAEIITBIMUQU-MWLCHTKSSA-N 302.338 -0.114 30 20 DBED C[C@H](CCNC(=O)CN1CCOCC1)Nc1ccc(C#N)nn1 1099090490 AFEIUBUNQRXKKZ-GFCCVEGCSA-N 318.381 -0.013 30 20 DBED C[C@H](CCNC(=O)[C@@H]1CCC(=O)N1)N=c1cc[nH]cc1C#N 1099362597 ZILOTWIDTUQJAS-MFKMUULPSA-N 301.350 -0.040 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)C2CCCC2)[C@H](O)C1 1099611732 WOSAKMKBXJKZRR-UONOGXRCSA-N 307.394 -0.523 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2ncccc2O)[C@H](O)C1 1099783198 MICRPMCHPJDCGZ-GXTWGEPZSA-N 319.361 -0.398 30 20 DBED C=CCCCN1CC[C@H](NC(=O)C2CN(C(C)=O)C2)[C@H](O)C1 1099794575 OSFGDZNNPCTNDG-LSDHHAIUSA-N 309.410 -0.018 30 20 DBED C#CCN1CC[C@H](NC(=O)CC(=O)NCC(F)(F)F)[C@@H](O)C1 1100055497 DLBNWBYGCHLILK-UWVGGRQHSA-N 321.299 -0.760 30 20 DBED C=CCN1CC[C@@H](NC(=O)CCn2cnccc2=O)[C@@H](O)C1 1100055701 HLLYODOMMSJIFV-OLZOCXBDSA-N 306.366 -0.629 30 20 DBED Cc1cc(N(C)CCNC(=O)CCNC(N)=O)c(C#N)cn1 1100099558 NOVQAUPLLSWTLX-UHFFFAOYSA-N 304.354 -0.128 30 20 DBED CCN1CCO[C@@H](C(=O)NCCN(C)c2ccc(C#N)nn2)C1 1100135056 GUTWKIZRJAVLOP-CYBMUJFWSA-N 318.381 -0.379 30 20 DBED C=CCNC(=O)[C@@H](C)NC1CC(CNC(=O)c2cn(C)nn2)C1 1100297919 PFPISDKWBIRWJI-VOMCLLRMSA-N 320.397 -0.396 30 20 DBED CN(CCNC(=O)c1ccc2nn[nH]c2n1)c1ccc(C#N)nn1 1100390840 ICVFQRBQSBOXQD-UHFFFAOYSA-N 323.320 -0.119 30 20 DBED COCC#CCN1C[C@@H]2CN(C(=O)C3(C(N)=O)CC3)C[C@]2(C)C1 1101344918 KWJMLDZVRLGYBM-CJNGLKHVSA-N 319.405 -0.318 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)CC(=O)NC)c3nccn32)C1 1101623254 AMDYPQKEQLKAMU-NSHDSACASA-N 301.350 -0.776 30 20 DBED CCCN(C(=O)C(N)=O)[C@H]1CCN(c2nc(C)cc(C#N)n2)C1 1102262421 YUONABFUHOXGDA-LBPRGKRZSA-N 316.365 -0.041 30 20 DBED CNC(=O)NCC(=O)N1C[C@@H]2C[C@H]1CN2c1ccncc1C#N 1102575257 PRZXRCKTQUCPAC-RYUDHWBXSA-N 314.349 -0.328 30 20 DBED CCN(C(=O)CNC(C)=O)[C@H]1CCN(c2cnc(C#N)cn2)C1 1102771580 OIELBJYTVLXTJV-ZDUSSCGKSA-N 316.365 -0.088 30 20 DBED CC[C@H](CNC(=O)[C@H]1CCC(=O)N1)N=c1cc[nH]c(C#N)n1 1102992385 QLAPHBJWQPPFEW-NXEZZACHSA-N 302.338 -0.645 30 20 DBED CC[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)Nc1cnc(C#N)cn1 1103277994 SGVBBEUEZCLSNX-WPRPVWTQSA-N 303.326 -0.664 30 20 DBED C[C@@H](CNC(=O)Cn1ncnn1)CNc1ccc(C#N)nc1 1104095046 MVKRROWQEDUZEX-SNVBAGLBSA-N 300.326 -0.196 30 20 DBED C[C@H](NC(N)=O)C(=O)N(C)[C@H](C)CN=c1cc[nH]c(C#N)n1 1104534845 CSFNMWHEXCWAMC-BDAKNGLRSA-N 305.342 -0.914 30 20 DBED C[C@H](CN=c1cc[nH]cc1C#N)N(C)C(=O)[C@@H]1CNC(=O)N1 1104784392 FYICICWGPSKVDC-SKDRFNHKSA-N 302.338 -0.685 30 20 DBED C=CCOCC(=O)N1CC(n2cc(CNCCCO)nn2)C1 1105192086 KUNMQTIOXBOXQQ-UHFFFAOYSA-N 309.370 -0.664 30 20 DBED CC#CCNCc1cn(C2CN(C(=O)c3ccnnc3)C2)nn1 1105333825 PIKPDHYIAOPQLE-UHFFFAOYSA-N 311.349 -0.122 30 20 DBED Cc1nonc1CC(=O)N1CC(n2cc(CNCC#N)nn2)C1 1105351835 KZCFACGZJKLSCW-UHFFFAOYSA-N 316.325 -0.791 30 20 DBED CCOCC(=O)NC[C@@H](O)CNc1cc(C#N)nc(CC)n1 1105712778 LWEDYJBXMANEMO-NSHDSACASA-N 307.354 -0.164 30 20 DBED N#Cc1cnc(NC[C@@H](O)CNC(=O)COCC2CC2)cn1 1105718091 IRYIZVOOORWXIT-GFCCVEGCSA-N 305.338 -0.336 30 20 DBED COC(=O)NCC(=O)NC[C@H](O)CNc1cccc(F)c1C#N 1105723412 OHPKIGDZEMYBFJ-SECBINFHSA-N 324.312 -0.058 30 20 DBED CCc1nc(C#N)cc(NC[C@H](O)CNC(=O)[C@H](C)OC)n1 1105731632 DSYCWCJYFMZZPO-ONGXEEELSA-N 307.354 -0.165 30 20 DBED Cc1cccc(C(=O)NC[C@@H](O)CN=c2cc[nH]c(C#N)n2)n1 1105758229 PEMFFSQKVPPGDA-NSHDSACASA-N 312.333 -0.324 30 20 DBED C#CCC1(C(=O)NC[C@H](O)CN=c2cc[nH]c(C#N)n2)CCC1 1106004746 YSPRKQCVGZGVEA-GFCCVEGCSA-N 313.361 -0.147 30 20 DBED C[C@@H]1CC[C@H](C(=O)NC[C@H](O)CNc2cncc(C#N)n2)O1 1106110564 VBTCINFNCYEURI-YUSALJHKSA-N 305.338 -0.195 30 20 DBED C#CCNC[C@@H]1CN(C(=O)[C@@H]2Cc3cncn3C(=O)N2)C[C@H]1C 1106464795 CRTWINNZLQSRQU-BZPMIXESSA-N 315.377 -0.317 30 20 DBED C[C@@H](CCNc1ccc(C#N)nn1)NC(=O)[C@H]1C[C@H]1C(N)=O 1106570313 SMMMYKLDLYLRQB-GDPRMGEGSA-N 302.338 -0.224 30 20 DBED CCN(CCNc1ccc(C#N)nn1)C(=O)CCn1cnnn1 1106817729 FKUPOAUSURTSEV-UHFFFAOYSA-N 315.341 -0.315 30 20 DBED CCS(=O)(=O)CC(=O)NC/C=C/CN=c1cc[nH]c(C#N)n1 1107221766 DUZVLFFTDUGDGO-ONEGZZNKSA-N 323.378 -0.711 30 20 DBED CC(C)CC(=O)NC[C@]1(C)CN(CC(=O)NCC#N)CCO1 1107700669 OUTOPSLIEBHWNL-OAHLLOKOSA-N 310.398 -0.121 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)[C@@H]1CCCNC1=O 1107989828 BLSISTFVIIGHIP-NXEZZACHSA-N 302.338 -0.787 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)CC[C@@H](C)OC)CC2=O)C1 1108537771 VDSWZASAUWRWOI-OLZOCXBDSA-N 307.394 -0.164 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)CCn3cccc3)CC2=O)C1 1108581708 XPYRRGMTPZTFJL-CQSZACIVSA-N 314.389 -0.087 30 20 DBED COCC(=O)N[C@H](C)C(=O)N[C@@H](C)CNc1cnc(C#N)cn1 1108746044 DVOSKGDZAAASEG-VHSXEESVSA-N 320.353 -0.584 30 20 DBED C[C@@H](CN(C)c1cncc(C#N)n1)NC(=O)Cn1nccn1 1109103589 KPHLHZKMZKVWPB-JTQLQIEISA-N 300.326 -0.419 30 20 DBED C[C@@H](CN(C)c1cnc(C#N)cn1)NC(=O)[C@]1(C)CNC(=O)C1 1109155557 NAROQVADEIMIPQ-BONVTDFDSA-N 316.365 -0.185 30 20 DBED C[C@H](C(=O)N(C)CCCN=c1cc[nH]c(C#N)n1)n1cncn1 1109409985 GGAGGTRNDNHMFN-LLVKDONJSA-N 314.353 -0.117 30 20 DBED N#Cc1cnc(N2CCC(F)(F)[C@@H](CNC(=O)C(N)=O)C2)cn1 1111014163 OZPOLLPBWKLJHN-QMMMGPOBSA-N 324.291 -0.589 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@]1(O)CCN(c2cnc(F)cn2)C1 1111098315 QKRQZHOPIFTTBU-ABAIWWIYSA-N 322.340 -0.289 30 20 DBED C=C[C@@](C)(O)CC(=O)N(CCO)CCNc1cnc(C#N)cn1 1111467182 ZNQBVACAXQBKSK-OAHLLOKOSA-N 319.365 -0.092 30 20 DBED N#Cc1c[nH]ccc1=NCCN(CCO)C(=O)CC1(O)CCC1 1111471861 VMCBADZQDFLJKA-UHFFFAOYSA-N 318.377 -0.087 30 20 DBED CC(C)(C(N)=O)C(=O)N(CCO)CCNc1ncccc1C#N 1111519406 JAWISBHUIONBSN-UHFFFAOYSA-N 319.365 -0.302 30 20 DBED N#Cc1cncc(NCCN(CCO)C(=O)c2n[nH]cc2F)n1 1111554884 JAHFAJHENYTKOV-UHFFFAOYSA-N 319.300 -0.243 30 20 DBED N#Cc1cnc(NC2(CNC(=O)[C@@H]3CCNC3=O)CCC2)cn1 1111880903 VYPVQFBXEPZEEX-LLVKDONJSA-N 314.349 -0.065 30 20 DBED N#Cc1nccc(N2CCC[C@H](NC(=O)CNC(N)=O)CC2)n1 1111966557 SRHAIXWWDPRUSZ-JTQLQIEISA-N 317.353 -0.508 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)[C@H](C)N=c1cc[nH]cc1C#N 1112979276 UXGZXYADWFPKOR-NWDGAFQWSA-N 313.361 -0.180 30 20 DBED C[C@H](CNC(=O)c1nccnc1N)N(C)c1nccnc1C#N 1113525712 DGTRKODIMCZXTR-SECBINFHSA-N 312.337 -0.025 30 20 DBED COCC#CCN1CCN(C(=O)c2ccc(C(N)=O)cn2)CC1 1113720686 VPBAHWPELAQODA-UHFFFAOYSA-N 316.361 -0.412 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)COCC=C)[C@H]2C1 1114050372 BAQCCVHPKHKEDF-RMRHIDDWSA-N 307.394 -0.074 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)c3cncnc3)[C@H]2C1 1114161282 DQRRGJRMAXWRCN-DRZSPHRISA-N 313.361 -0.726 30 20 DBED N#CCNC(=O)CN1C[C@H]2C(NC(=O)c3c[nH]c(C#N)c3)[C@@H]2C1 1114163402 HALGZPLMTVMMAF-VXGBXAGGSA-N 312.333 -0.814 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3nn(C)cc3C)[C@H]2C1 1114246352 RSPOXERQFVUNTR-JYAVWHMHSA-N 317.393 -0.309 30 20 DBED C#CCOCCC(=O)N[C@H]1[C@@H]2CN(CC(=O)N(C)CC)C[C@@H]21 1114265184 ANRQSGLANOUCQP-VIKVFOODSA-N 307.394 -0.449 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)[C@@H](OCC)C3CC3)[C@@H]2C1 1114290876 PANHVOQGKQNVOG-IOASZLSFSA-N 319.405 -0.403 30 20 DBED C#Cc1cncc(C(=O)N[C@H]2[C@@H]3CN(CCOCCO)C[C@@H]32)c1 1114808520 SLULOCWNNNLNFC-ZSHCYNCHSA-N 315.373 -0.268 30 20 DBED C[C@@H](CCCN=c1cc[nH]c(C#N)n1)NC(=O)CC(=O)N(C)C 1115091580 ZZGVMABGJGJSGM-NSHDSACASA-N 318.381 -0.055 30 20 DBED C#CCN1C[C@H]2[C@H](NC(=O)COc3ccc(C(N)=O)cc3)[C@H]2C1 1115261299 ODEPIPXEQIZOFQ-FOLVSLTJSA-N 313.357 -0.156 30 20 DBED CC#CCCNC(=O)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O 1117365613 JQANXYAGGKYCOK-SECBINFHSA-N 319.283 -0.205 30 20 DBED CN1CCN(C(=O)C(=O)NCCc2ccc(C#N)cc2)CC1=O 1118526611 ZCQVLCXZYOAWEB-UHFFFAOYSA-N 314.345 -0.482 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@@H](CO)Nc2ccc(C#N)nn2)c1 1121264885 FQQOLEAFHXPXBQ-NSHDSACASA-N 311.305 -0.249 30 20 DBED N#Cc1nc(=N[C@H](CO)CNC(=O)c2ncccc2O)cc[nH]1 1121340111 RGERQROPSUVOJQ-VIFPVBQESA-N 314.305 -0.926 30 20 DBED C#CCCCC(=O)NC[C@H](CO)Nc1ncnc2c1nnn2C 1121370451 GBBIAGAPHSPMNA-SNVBAGLBSA-N 317.353 -0.549 30 20 DBED C=CCn1c(CO)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1121599310 QTEUJKNNUIXPFR-SNVBAGLBSA-N 320.353 -0.571 30 20 DBED CCn1ccc(C(=O)NC[C@H](CO)Nc2ccc(C#N)nn2)n1 1122053530 ZNYQCLAQVWYWPU-LLVKDONJSA-N 315.337 -0.233 30 20 DBED N#Cc1cncc(N[C@H](CO)CNC(=O)c2cncnc2O)n1 1122170944 VUIDRSVIYPRPFL-VIFPVBQESA-N 315.293 -0.953 30 20 DBED Cc1nc(O)[nH]c1C(=O)NC[C@H](CO)Nc1ccc(C#N)nc1 1122213813 RBDWYPBFUBVALD-LLVKDONJSA-N 316.321 -0.107 30 20 DBED COCC1(C(=O)NC[C@@H](CO)N=c2cc(C)[nH]cc2C#N)CC1 1122246767 VOTIYRZSLPQGLP-ZDUSSCGKSA-N 318.377 -0.001 30 20 DBED CN(C[C@@H](O)CNc1ccc(C#N)cn1)C(=O)[C@H]1COCCO1 1124048450 ZXBYUOSZYXBVJZ-QWHCGFSZSA-N 320.349 -0.400 30 20 DBED CN(C[C@@H](O)CNc1cnc(C#N)cn1)C(=O)Cc1ccon1 1124199965 IWELFHIGVIQUHO-LBPRGKRZSA-N 316.321 -0.190 30 20 DBED Cc1nn2c(=O)cc(CNCCNC(=O)[C@H](C)C#N)nc2s1 1124896685 PFNMDLUXIPLXHA-MRVPVSSYSA-N 320.378 -0.175 30 20 DBED COCCOCC(=O)N(C)C1CC(N=c2cc[nH]c(C#N)n2)C1 1126881814 FAXBVIPDRICDBU-UHFFFAOYSA-N 319.365 -0.166 30 20 DBED C[C@H](NC(N)=O)C(=O)N(C)C1CC(Nc2cnc(C#N)cn2)C1 1126919756 GMRNSRRRQBGGKP-SILCLGDVSA-N 317.353 -0.194 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCOCCNc1nccn2nnnc12 1127258766 IKNRRKOFRIHLAY-JTQLQIEISA-N 318.341 -0.434 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1cc(C2CC2)n(C)n1 1128864672 IKNOUSABWFIFPX-NSHDSACASA-N 317.393 -0.245 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)C[C@](C)(O)C2CC2)C1 1128898183 SJKKQKZZYYKZRO-YCPHGPKFSA-N 317.393 -0.196 30 20 DBED C=CCNC(=O)CNCCNC(=O)C[C@@H]1CCOC[C@H]1OC 1129207640 JRNHTHURPQOADY-QWHCGFSZSA-N 313.398 -0.564 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCN[C@H](C)c1nnnn1C 1129771127 RXUGIFDUCPSRHC-NEPJUHHUSA-N 305.386 -0.926 30 20 DBED C#CCCN[C@@H]1CN(C(=O)c2nc(C)c[nH]2)C[C@@H]1n1ccnn1 1130034068 JQNKNQASXQMBEX-OLZOCXBDSA-N 313.365 -0.012 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1cccc2ncnn12 1130908144 IAAILXSOEMOEKG-NSHDSACASA-N 314.349 -0.813 30 20 DBED Cc1ccn2cc(C(=O)NCCNCC(=O)NCC#N)nc2c1 1130936379 JQHJPKLFLAWFIE-UHFFFAOYSA-N 314.349 -0.398 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H]2C[C@H]3CN(C(C)=O)C[C@@]3(C1)O2 1131164375 JRAPXHINNUHDAM-UZMCECQYSA-N 307.394 -0.001 30 20 DBED N#CCSCC(=O)N1C[C@@H]2C[C@@H]3CN(CC(N)=O)C[C@]2(C1)O3 1131186742 DJKHOMYEZMRXSL-MISXGVKJSA-N 324.406 -0.970 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1c(OC)ccnc1OC 1131218423 FOUUJDVSJCNZBK-UHFFFAOYSA-N 320.349 -0.832 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)Cc2cn(CC)nn2)C1=O 1131621937 LSGLROZZTJZSES-ZDUSSCGKSA-N 320.397 -0.667 30 20 DBED C[C@H]1CC[C@@H](NC(=O)c2cocn2)CN1CC(=O)NCC#N 1131895640 KYPXZXHXZCQCGZ-WDEREUQCSA-N 305.338 -0.103 30 20 DBED C[C@H]1CC[C@H](NC(=O)c2ncc[nH]2)CN1CC(=O)NCC#N 1132005628 ALNURGHUHYDULT-QWRGUYRKSA-N 304.354 -0.368 30 20 DBED C[C@@H]1CC[C@@H](NC(=O)c2csnn2)CN1CC(=O)NCC#N 1132207258 SCSIVGOUDPUHMD-NXEZZACHSA-N 322.394 -0.239 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)CC[C@@H]1C 1132934002 WPWYRESKFKGPDF-UONOGXRCSA-N 319.409 -0.321 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)Cc1n[nH]c(C)n1 1134355338 FICIQHJMHUGSLB-MNOVXSKESA-N 320.397 -0.722 30 20 DBED C#CCN[C@H](C)C[C@H](C)NC(=O)CN1C(=O)NC(C)(C)C1=O 1136112429 SPVZYMMCBAZFKI-MNOVXSKESA-N 308.382 -0.177 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)Cc1nonc1C 1146252363 ZYUYVDHVRGVYLX-UHFFFAOYSA-N 322.369 -0.612 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)c1oncc1C 1146494997 SIDJQKNBBGWBKW-UHFFFAOYSA-N 309.326 -0.686 30 20 DBED C#CCOCCC(=O)N1CC2(CCN([C@H]3CCNC3=O)C2)C1 1147535163 VSUOLZHSHGFOKF-ZDUSSCGKSA-N 305.378 -0.551 30 20 DBED C=CCN1CCCO[C@@H](CNC(=O)[C@H](C)NS(C)(=O)=O)C1 1150380422 UQXMPSIXUHYUMA-RYUDHWBXSA-N 319.427 -0.683 30 20 DBED C[C@H]1CCN(C(=O)C(=O)NC[C@H]2CN(CC#N)CCCO2)C1 1150572904 WXEVXVSUFROMSX-STQMWFEESA-N 308.382 -0.415 30 20 DBED CCOCCNC(=O)CNCCCNC(=O)c1ccc(C#N)[nH]1 1156703602 WMAZWSOEFYWOIF-UHFFFAOYSA-N 321.381 -0.251 30 20 DBED C#CCN(C)C[C@H]1CCCCN1C(=O)CN1CC(=O)NC1=O 1158611255 CSDDIOJRYVPJAA-GFCCVEGCSA-N 306.366 -0.516 30 20 DBED CC(C)(C)n1cc(C(=O)NCCCNCC(=O)NCC#N)cn1 1161633292 HAKCXTCEQJCZBV-UHFFFAOYSA-N 320.397 -0.013 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)c1cn(C)nc1OC 1163825335 SOPSDRIJRCQFAZ-NSHDSACASA-N 323.397 -0.171 30 20 DBED CC(=O)N1CCO[C@@H](C(=O)NCCC2(CNCC#N)CC2)C1 1167940114 JNBLKAGFUFQMFR-CYBMUJFWSA-N 308.382 -0.367 30 20 DBED CCc1nc(C(=O)NCCCNCC(=O)NCC#N)c(C)o1 1168129480 UNEPXEMIQWUZSZ-UHFFFAOYSA-N 307.354 -0.105 30 20 DBED COCC#CCNCCCNC(=O)C1(S(C)(=O)=O)CCC1 1169782148 UOUGIYPBQKVHCN-UHFFFAOYSA-N 316.423 -0.301 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)Cc2nonc2C)C1=O 1169877866 IIGBLZXTGLGXGB-GFCCVEGCSA-N 321.381 -0.197 30 20 DBED C#CCNC(=O)CNCCCNC(=O)COCc1cccnc1 1174731011 GWTHAHPBQZCXHF-UHFFFAOYSA-N 318.377 -0.557 30 20 DBED C#CCOCCC(=O)N1CC[C@H](N[C@@H]2CCN(C)C2=O)[C@@H]1C 1178689649 UNKVJQVUDBRHNP-MELADBBJSA-N 307.394 -0.164 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)CN(C)C(C)=O)C1 1181138912 ZFHPKAPPEHDZSW-WCQYABFASA-N 310.398 -0.654 30 20 DBED CC#CCN[C@@H]1CCN(C(=O)[C@H]2CCc3nnc(O)n3C2)C1 1183737861 HESRJKCODNIWNW-NWDGAFQWSA-N 303.366 -0.240 30 20 DBED N#CCNC(=O)CN[C@@H]1CCN(C(=O)c2cc(C3CC3)no2)C1 1185985819 XCEYRVQDXLFUJU-LLVKDONJSA-N 317.349 -0.004 30 20 DBED CCNC(=O)NC(=O)CN(C)[C@H]1CCN(C(=O)[C@H](C)C#N)C1 1189389138 HNPYRFPHKKJNPM-MNOVXSKESA-N 309.370 -0.476 30 20 DBED CN(CC(=O)NCC#N)[C@@H]1CCN(C(=O)c2cccc(O)n2)C1 1189528380 WJTJAOGUDOSMPP-LLVKDONJSA-N 317.349 -0.427 30 20 DBED CN(CC#N)[C@@H]1CCN(C(=O)CCNC(=O)[C@@H]2CCCO2)C1 1194494682 WYRVWRUNAYSVTH-OLZOCXBDSA-N 308.382 -0.272 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)c2conc2C)C1 1195799969 KEILTCNJIBBARH-CYZMBNFOSA-N 322.365 -0.551 30 20 DBED COC[C@H](C)CC(=O)N1CCCN(CC(=O)NCC#N)CC1 1197647250 NXNZNXPNIBXMHO-CYBMUJFWSA-N 310.398 -0.167 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCCN(C(=O)CCCC(N)=O)CC1 1198378496 JDDIBAFFAZMUAC-CYBMUJFWSA-N 324.425 -0.133 30 20 DBED C=CCCCNC[C@@H]1CN(C(=O)Cn2cnnn2)CCCO1 1199786980 JBZRWDVAXRBFDZ-CYBMUJFWSA-N 308.386 -0.154 30 20 DBED Cn1cnc(C(=O)N2CCCO[C@@H](CNCC#N)C2)cc1=O 1200714974 ZTMGVHILNFMBKA-NSHDSACASA-N 305.338 -0.875 30 20 DBED C#CCCNC[C@H]1CN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)CCCO1 1201412379 ZXYIYIXHYRKECN-ZNMIVQPWSA-N 321.421 -0.059 30 20 DBED CC(=O)CCCC(=O)N1CCC[C@@H](NCC(=O)NCC#N)C1 1207305558 AXSZGNHJWMQGFO-CYBMUJFWSA-N 308.382 -0.034 30 20 DBED CC[C@]1(C(=O)N[C@@H]2CN(CC#CCOC)C[C@H]2C)CCNC1=O 1207609461 BTEKBLQWCRBJLF-CPUCHLNUSA-N 321.421 -0.011 30 20 DBED COCCCNC(=O)CN[C@@H]1CCCN(C(=O)[C@@H](C)C#N)C1 1207687489 GKBMEYNVHYNGFP-QWHCGFSZSA-N 310.398 -0.121 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCCN(C(=O)c2n[nH]cc2F)C1 1209504229 QZFKQUZAYAZYDA-QWRGUYRKSA-N 321.356 -0.119 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)c2cccnn2)C1 1210254460 OSEDDMASPLMBSG-LBPRGKRZSA-N 303.366 -0.027 30 20 DBED C#CCCN[C@H]1CCCN(C(=O)COCc2ncnn2C)C1 1210413155 VRYRQWWIIZITGJ-ZDUSSCGKSA-N 305.382 -0.064 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1211425370 LPQJTGNMLIYIGC-FRRDWIJNSA-N 308.382 -0.346 30 20 DBED C=CCOCC(=O)N[C@@H]1CN([C@@H]2CCCNC2=O)C[C@H]1OC 1212032356 WXSTYXJNDDCYCI-JHJVBQTASA-N 311.382 -0.717 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(Cc2nncn2C)C[C@H]1OC 1212177901 AKTLAHWHOBCMEM-JMSVASOKSA-N 323.397 -0.542 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@@](C)(NC(C)=O)C1CC1 1213713030 LEEHWGUYSUPMBO-NFAWXSAZSA-N 308.382 -0.370 30 20 DBED CCCN(C)CC(=O)N[C@@H]1CN(CC#CCOC)C[C@H]1OC 1213767247 KLPQVUOASWYXOO-HUUCEWRRSA-N 311.426 -0.207 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)CO[C@@H](C)c1nccn1C 1213793993 WNGVFWLWMUYBJX-YNEHKIRRSA-N 321.381 -0.163 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)c2ccn(C)n2)[C@H](OC)C1 1213860297 YSZSKLKBHVUZQI-CHWSQXEVSA-N 321.381 -0.849 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@@H](NCc2nnn(C)n2)[C@H](C)C1 1214602147 KUBMGSXROFNSEP-IJLUTSLNSA-N 306.370 -0.815 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@H](CCC)OC)C[C@H]1C 1215303113 PXBILFUOJUTRIU-MCIONIFRSA-N 309.410 -0.013 30 20 DBED CCn1cc(CCN2C[C@H](O)[C@H](NC(=O)[C@H](C)C#N)C2)cn1 1219379257 PMUHQTIKNZLSBL-BNOWGMLFSA-N 305.382 -0.234 30 20 DBED Cc1cc(C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@@H]2O)co1 1219511251 MSQGGQQQSOMNML-NEPJUHHUSA-N 306.322 -0.997 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)CCCN2C(=O)CCC2=O)C1 1219748324 SMGWPSXEGCEVKG-OLZOCXBDSA-N 323.393 -0.347 30 20 DBED C=CCC1(C(=O)N[C@@H]2CN(C[C@@H](O)COC)C[C@@H]2O)CCC1 1220293621 OAPMAVRRJDZGLE-MCIONIFRSA-N 312.410 -0.099 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)[C@H]2CC23CCOCC3)C1 1221195535 XDKWTVIDCPXHGS-KFWWJZLASA-N 322.405 -0.386 30 20 DBED N#CCNC(=O)CN1CCC(CNC(=O)c2cccnn2)CC1 1224921726 VIPQFHHTIZZATL-UHFFFAOYSA-N 316.365 -0.442 30 20 DBED C#CCO[C@@H](C)C(=O)NC1CCN(CC(=O)NCC=C)CC1 1227299155 LWCPXLGSDBCCLK-ZDUSSCGKSA-N 307.394 -0.093 30 20 DBED Cc1ncc(C(=O)NC2CCN(CC(=O)NCC#N)CC2)n1C 1228834990 WXVZMPFPKACLGE-UHFFFAOYSA-N 318.381 -0.438 30 20 DBED C=C(C)CN(C)C(=O)C(=O)N1CCC2(CC1)NC(=O)N(C)C2=O 1261770452 USDRMXNHEGJWIA-UHFFFAOYSA-N 322.365 -0.436 30 20 DBED CCC[C@@H](O)CNC(=O)NCCN/C(O)=C1\N=CC=CC1=O 1322883545 WJYZYMRRQOLGBR-LRZCVGBLSA-N 310.354 -0.027 30 20 DBED C#CCOCCNC(=O)C(=O)N[C@H]1CCN(C(=O)OCC)C1 1324454113 HGYAGINTNIHNDA-NSHDSACASA-N 311.338 -0.901 30 20 DBED C=CC[C@H](NC(=O)Cn1ccc(=O)n(C)c1=O)C(=O)OCC 1325376649 SIZRWNMCKPUGFF-JTQLQIEISA-N 309.322 -0.829 30 20 DBED C=C[C@@H]1CCCCN1C(=O)C(=O)N1CCO[C@H](C(=O)NC)C1 1325908652 YLSIMAMNHLMODR-NEPJUHHUSA-N 309.366 -0.473 30 20 DBED CN(C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1CC[C@](O)(CC#N)C1 1326128874 STYVECSZUUOOQL-WOSRLPQWSA-N 322.409 -0.148 30 20 DBED C=CCS(=O)(=O)CCNC1CCC2(CC1)NC(=O)NC2=O 1326478764 AWASIZSSAAOEIS-UHFFFAOYSA-N 315.395 -0.302 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CCC[C@H](N(C)C)C2)nn1 1326718773 ROXYCHXYHINZQQ-ZDUSSCGKSA-N 320.397 -0.367 30 20 DBED C[C@@]1(CNC(=O)C(=O)N2CCC[C@@H](CC#N)C2)CCC(=O)N1 1328133175 QOHHOYQTUSRUQP-NHYWBVRUSA-N 306.366 -0.076 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N[C@@H]2CCN(CCC)C2)nn1 1328527505 XQQQYLQVBDYNLZ-GFCCVEGCSA-N 320.397 -0.319 30 20 DBED N#C[C@]1(F)CCN(C(=O)C(=O)N[C@H]2CC(=O)N(C3CC3)C2)C1 1329040957 KIEVTFIQZXMTPJ-LKFCYVNXSA-N 308.313 -0.670 30 20 DBED C#CCCn1nnnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1334408888 DPNDTMNQXAIMKI-LBPRGKRZSA-N 324.410 -0.299 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N[C@@H]1CCO[C@@]2(CCOC2)C1 1342865501 PLSREEAYMNPDPG-JMSVASOKSA-N 312.366 -0.242 30 20 DBED C#CCN(C)c1nnc(CC[C@@]2(C)NC(=O)NC2=O)n1CC 1352245685 ARVBVLNHSXTEPO-CQSZACIVSA-N 304.354 -0.102 30 20 DBED CN1CCN(C(=O)C2CCN(C(=O)NCC#CCO)CC2)CC1 1354184794 MOEAUYLFRBJVJZ-UHFFFAOYSA-N 322.409 -0.822 30 20 DBED Cc1c(C(=O)N2CC(O)(CC#N)C2)cnn1-c1ccc(O)nn1 1362685668 HROJKURFYJGVJF-UHFFFAOYSA-N 314.305 -0.223 30 20 DBED CC(C)(CC#N)CNC(=O)CN1CCN(S(C)(=O)=O)CC1 1362818129 HGOCMMKSSLBUDQ-UHFFFAOYSA-N 316.427 -0.380 30 20 DBED CN1CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)CC1(C)C 1363012405 NTLHRZBOKRUIGS-UHFFFAOYSA-N 319.365 -0.237 30 20 DBED N#Cc1ccc(C(=O)N2CCS(=O)(=O)[C@H]3COCC[C@@H]32)nc1 1363248025 JKLNDSVPLVIWLJ-STQMWFEESA-N 321.358 -0.019 30 20 DBED Cn1c(=O)[nH]c(N2CCC[C@@H](CCC(N)=O)C2)c(C#N)c1=O 1364538839 ORJMJIBKHQEMGJ-VIFPVBQESA-N 305.338 -0.573 30 20 DBED CC(C)N(C)C(=O)[C@@H](C)N1CC(O)(CNC(=O)[C@H](C)C#N)C1 1376142546 MWMRXJMBAIUMKZ-VXGBXAGGSA-N 310.398 -0.436 30 20 DBED Cc1c(CC(=O)NC[C@H](O)CNC(=O)[C@@H](C)C#N)cnn1C 1376624349 CXSGRBNLUPAILG-CABZTGNLSA-N 307.354 -0.976 30 20 DBED C[C@@H](CNCC(=O)Nc1cnccn1)CNC(=O)[C@@H](C)C#N 1378561826 UHECZQKFJWCQLI-QWRGUYRKSA-N 304.354 -0.083 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)c2ccc3nn[nH]c3n2)CC1 1379080906 IABDLQQXHSVEBZ-MRVPVSSYSA-N 313.321 -0.109 30 20 DBED C[C@@H](C#N)C(=O)N(C)C[C@H]1CCCN1C(=O)CS(C)(=O)=O 1382615334 MCTYZEACBAGBJV-WDEREUQCSA-N 315.395 -0.360 30 20 DBED C[C@H](C#N)C(=O)NCCN(C)C(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1388037573 DBVHBPFWXJASSV-MROQNXINSA-N 309.366 -0.228 30 20 DBED CO[C@H](C)C(=O)N1CC[C@@](O)(CNC(=O)c2cc(C#N)c[nH]2)C1 1390434295 VVPNFUAOOPWBTF-MEBBXXQBSA-N 320.349 -0.386 30 20 DBED C[C@@H](CN(C)C(=O)c1ccc(C(N)=O)cn1)NC(=O)[C@H](C)C#N 1395601862 BFAYKGFVRZJADI-ZJUUUORDSA-N 317.349 -0.083 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)C(C)(C)S(C)(=O)=O)C1 1397220216 BMCWGAOGTQSWHV-OPRDCNLKSA-N 315.395 -0.267 30 20 DBED CCCN(CCNC(=O)[C@@H](C)C#N)C(=O)CN1CCCNC1=O 1398264887 BRGIXQALQBBCRO-LBPRGKRZSA-N 323.397 -0.084 30 20 DBED CCN(CCNC(=O)[C@H](C)C#N)[C@H](C)C(=O)NC(=O)NC1CC1 1399695053 VXAXHRUFKYXWAX-GHMZBOCLSA-N 323.397 -0.039 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)[C@@H](C)CN2CCOCC2)CC1 1400569933 IZQURONEZCBZGP-STQMWFEESA-N 322.409 -0.121 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)[C@H]2CCCN(C(N)=O)C2)CC1 1400646271 ABYZTRANJCGXCF-QWRGUYRKSA-N 321.381 -0.298 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNCC(=O)Nc1ccccc1 1406205719 HCCHAYBGSOGOAF-WCQYABFASA-N 304.350 -0.149 30 20 DBED C[C@@]1(O)CCCN(C(=O)CCn2cc(C#N)c(O)nc2=O)CC1 1412098259 VPOUJKPULYMTFS-OAHLLOKOSA-N 320.349 -0.026 30 20 DBED CN(CCNC(=O)[C@H]1COCCO1)C(=O)c1c[nH]c(C#N)c1 1415457306 SCAOYSINXRCHPX-GFCCVEGCSA-N 306.322 -0.510 30 20 DBED N#Cc1cccc(CC(=O)N2C[C@@H](C(N)=O)[C@@H](C(N)=O)C2)c1 1418585624 GKCVEAJBDVMHNJ-TXEJJXNPSA-N 300.318 -0.854 30 20 DBED CCN(CCC#N)C(=O)CNC[C@@H](C)NC(=O)c1cnn[nH]1 1420308350 KZGYKBYKRSZHJO-SNVBAGLBSA-N 307.358 -0.725 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@](C)(NC(=O)CN2CCOCC2=O)C1 1432571294 GBTOZZFYAYHYRM-IAQYHMDHSA-N 322.365 -0.888 30 20 DBED CNC(=O)NC(=O)CNC[C@H](C)NC(=O)c1cc(C#N)c[nH]1 1445536988 KNWACBAWGQSPKJ-QMMMGPOBSA-N 306.326 -0.950 30 20 DBED C[C@H](C#N)C(=O)N1CC(NC(=O)COCc2ccnn2C)C1 1450393038 MQWQDFORPVNAPP-SNVBAGLBSA-N 305.338 -0.577 30 20 DBED CC(C)c1nnnn1CC(=O)NC1(CNC(=O)[C@@H](C)C#N)CC1 1453541512 VOJHGENZXPYKSB-JTQLQIEISA-N 319.369 -0.279 30 20 DBED C[C@H](NC(=O)CCc1nc[nH]n1)C1CN(C(=O)[C@H](C)C#N)C1 1487164262 QTBGJBQXVNGNAB-ZJUUUORDSA-N 304.354 -0.140 30 20 DBED Cc1c[nH]c(C(=O)N2CCCC[C@H]2CNCC(=O)NCC#N)n1 1491265376 HOOZUUYXTNTWED-LBPRGKRZSA-N 318.381 -0.058 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)[C@H]2CCCC(=O)N2C)CC1 1535743184 FTERYFOVXOUOKC-WDEREUQCSA-N 306.366 -0.078 30 20 DBED Cc1cnc(C(=O)NC[C@]2(O)CCN(C(=O)[C@@H](C)C#N)C2)cn1 1537292703 OQCXLETZGREIHK-ZUZCIYMTSA-N 317.349 -0.362 30 20 DBED C[C@H](C#N)C(=O)N1CC(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1573561885 OHAKPGXVXULQLI-SSDOTTSWSA-N 314.309 -0.705 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N1CC[C@@]2(CNCCO2)C1 1575045111 DHSFKGBAIAALDY-NWDGAFQWSA-N 302.400 -0.613 30 20 DBED N#CCNC(=O)CNC(=O)N1CCOc2ccc(N)cc2C1 1580052205 HKGGBRYSDUARIO-UHFFFAOYSA-N 303.322 -0.187 30 20 DBED C#CCN(CC(=O)O)C(=O)c1cc(S(N)(=O)=O)ccc1C 1588416613 QOYQFWZVAVKDSG-UHFFFAOYSA-N 310.331 -0.198 30 20 DBED C=CCn1cc(CNC(=O)[C@H]2CCCN(CC(=O)O)C2=O)nn1 1588474635 LLUNOQZTCLJAJP-LLVKDONJSA-N 321.337 -0.597 30 20 DBED C=C1C[C@@H]2CC[C@H](C1)N2C(=O)C(=O)N1C[C@@H](O)C[C@H](C(=O)O)C1 1588644295 NGBURIFNDJJGQX-RVMXOQNASA-N 322.361 -0.010 30 20 DBED C=CC[C@H](OC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O)C(=O)O 1588754256 WGFGBXMMOVCPSR-GFVADAIESA-N 308.290 -0.330 30 20 DBED C[C@@H](CNc1cnc(-c2nn[nH]n2)c(C#N)n1)S(C)(=O)=O 1589879978 WEIMOVCNOBDWIC-LURJTMIESA-N 308.327 -0.627 30 20 DBED CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@@H]1C(=O)NCC(=O)O 1596229739 HHJWWNDRAGXMCZ-VXGBXAGGSA-N 324.381 -0.340 30 20 DBED N#C[C@]12CN(c3cncc(C(=O)O)n3)C[C@H]1CS(=O)(=O)C2 1601079927 PTILVGKMFIVUKW-QPUJVOFHSA-N 308.319 -0.451 30 20 DBED C[C@@H]1CN(C(=O)Cn2cc(C#N)c(O)nc2=O)CC[C@@H]1C(=O)O 1603443677 YTKGJCPTIFSNGY-SCZZXKLOSA-N 320.305 -0.610 30 20 DBED Cn1cc(CCC(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[nH]2)nn1 1606236709 AWZIDRCGDZVCMR-UHFFFAOYSA-N 313.285 -0.839 30 20 DBED C=CC[C@H](NS(=O)(=O)N(C)CCC(=O)O)C(=O)OCC 1609320205 BENSIYVDQGDXMD-VIFPVBQESA-N 308.356 -0.265 30 20 DBED N#CCc1ccc(OC[C@H](O)Cn2nnc(CC(=O)O)n2)cc1 1610624572 UMWXOHXFVVWKOA-LLVKDONJSA-N 317.305 -0.194 30 20 DBED C=CCOCCN[C@H]1CCN(C(=O)CC2CS(=O)(=O)C2)C1 1661323420 BMPBHGFVVYEYAI-ZDUSSCGKSA-N 316.423 -0.186 30 20 DBED C#CCN(CCC)CCNC(=O)C(C)(C)NS(C)(=O)=O 1753149109 VTAJKFNDZKAYBT-UHFFFAOYSA-N 303.428 -0.224 30 20 DBED C#CCOCCC(=O)NCC[C@H]1CCN(Cc2nnnn2C)C1 1753327931 LFQMHJNKEVBIRF-ZDUSSCGKSA-N 320.397 -0.422 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](CN(C)CCN2C(=O)CNC2=O)C1 1753345228 GMFSHTNOKIKDQS-VXGBXAGGSA-N 321.381 -0.522 30 20 DBED C=CCN1CC(CNC(=O)Cn2nc3ccccn3c2=O)C1 1753407516 MSBJYKNSNYFHLX-UHFFFAOYSA-N 301.350 -0.270 30 20 DBED C=CCNC(=O)CN1CC[C@H](N(C)C(=O)c2nccnc2N)C1 1753433213 DNCTWNPKOGMPIF-NSHDSACASA-N 318.381 -0.493 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)CNC(=O)CC)C[C@@H]1C 1753771393 YUGJUQXNMCRFCS-STQMWFEESA-N 324.425 -0.359 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(N[C@@H]2CCN(CC)C2=O)CC1 1754513480 ACWLMWWBVMIAMM-QWHCGFSZSA-N 307.394 -0.116 30 20 DBED C#CCN1CC[C@@](O)(CNC(=O)[C@H](NC(C)=O)C2CCCC2)C1 1754753309 YNGKULPBLZWFFV-NVXWUHKLSA-N 321.421 -0.133 30 20 DBED COCC#CCN1CC[C@](O)(CNC(=O)Cc2cnc(C)o2)C1 1754754725 QLFYVWGONRHXBJ-INIZCTEOSA-N 321.377 -0.272 30 20 DBED COCC#CCN1CC[C@@](O)(CNC(=O)Cc2cnc(C)o2)C1 1754754726 QLFYVWGONRHXBJ-MRXNPFEDSA-N 321.377 -0.272 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(O)CN(Cc2nncs2)C1 1754776186 YVBXEYQFIHXUFU-LBPRGKRZSA-N 312.395 -0.472 30 20 DBED C#CCCCCC(=O)NC[C@H]1COCCN1Cc1nnnn1C 1754964926 GYFSTMHOQZRWNB-ZDUSSCGKSA-N 320.397 -0.279 30 20 DBED C#CCNC(=O)[C@H](C)N(C)CCCN(C)C(=O)[C@@H]1CCNC1=O 1755041914 ZOSSKLBOJDZJGI-QWHCGFSZSA-N 322.409 -0.959 30 20 DBED C=CCC[C@@H](C)N1CC(CCO)(NC(=O)c2nnn(C)n2)C1 1755334963 PXSBXVFDVDWMGH-LLVKDONJSA-N 308.386 -0.269 30 20 DBED C[C@@H](NCC#N)[C@@H]1CN(C(=O)c2cnc3[nH]nnc3c2)CCO1 1755441485 GONSFTDAWUCFIS-SKDRFNHKSA-N 315.337 -0.304 30 20 DBED Cc1ncc(C(=O)N[C@H](C)CCCNCC(=O)NCC#N)n1C 1755512197 FHHNXKIMNDQUEV-LLVKDONJSA-N 320.397 -0.144 30 20 DBED Cc1nc(C)c(C(=O)N(C)C[C@@H](C)NCC(=O)NCC#N)o1 1755583021 BUWIBYXJQCSCEP-SECBINFHSA-N 307.354 -0.019 30 20 DBED COCC#CCN[C@@H](CO)CNC(=O)c1ncc2ccccn12 1755632075 AWJPVCZLRZHOKA-CYBMUJFWSA-N 316.361 -0.336 30 20 DBED Cc1occc(=O)c1OCC(=O)N(C)C[C@H](O)CN(C)CC#N 1755803531 WQOPRNFQFZHISJ-GFCCVEGCSA-N 323.349 -0.398 30 20 DBED CN(C(=O)C[C@@](C)(O)C1CC1)C1CC(NCC(=O)NCC#N)C1 1755855424 PYGDNMABXCYIIV-SEEARECTSA-N 322.409 -0.244 30 20 DBED C#CCO[C@H](C)C(=O)N(C)[C@@H](C)CNC(=O)Cn1cncn1 1756072533 UGEFMCAUKHYKET-NWDGAFQWSA-N 307.354 -0.721 30 20 DBED C=CCCC(=O)NC[C@H]1[C@@H]2CN(C(=O)CCNC(N)=O)C[C@H]12 1756193663 UFWHKNBUKVPPEB-CNDDSTCGSA-N 308.382 -0.168 30 20 DBED C[C@H](C(=O)NC[C@@H](CO)NC(=O)C#CC(C)(C)C)n1cncn1 1756514174 TUJMEPQRVXXWRM-NEPJUHHUSA-N 321.381 -0.518 30 20 DBED C#Cc1cncc(C(=O)NC[C@@H](CO)NC(=O)[C@@H](C)OCC)c1 1756547974 HFBZBCWJHXYMEK-RISCZKNCSA-N 319.361 -0.305 30 20 DBED C=CCO[C@H](C)C(=O)NC[C@H](O)CN(C)C(=O)C#CC1CC1 1756663744 XVFYBUSWSTZDQG-OCCSQVGLSA-N 308.378 -0.074 30 20 DBED CC(C)(C)C#CC(=O)N[C@@H]1CN(C(=O)c2ccncn2)C[C@@H]1O 1757171833 JVRQHIIFPXXHLL-OLZOCXBDSA-N 316.361 -0.172 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(C(=O)c2c[nH]cc2C)C[C@@H]1O 1757173715 GYLHXISVIQRPRA-KGLIPLIRSA-N 319.361 -0.335 30 20 DBED C=CCCC(=O)N[C@@H]1CCN(C(=O)c2nnn(C)c2C)C[C@@H]1O 1757561254 GPBJSBPJSHYVEH-NEPJUHHUSA-N 321.381 -0.219 30 20 DBED COc1cc(C(=O)N[C@@H]2CNC[C@@H]2C#N)ccc1OCC(N)=O 1771746115 FNTBTXIHJJUXSV-WDEREUQCSA-N 318.333 -0.599 30 20 DBED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)OC)[C@H]2C1 1786425219 QGWWHQPREFHNPT-AVGNSLFASA-N 322.361 -0.448 30 20 DBED CC[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)S)C2 1792866278 OHJHMTJVIDOHCJ-LDMBFOFVSA-N 316.423 -0.335 30 20 DBED N#CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnsn1 1794380735 VTYSARCGJCXIKY-BZBKMWRSSA-N 321.362 -0.345 30 20 DBED CN1CC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CC#N)C1 1795084525 CERLVXWMGZKHEF-DABQJJPHSA-N 306.366 -0.949 30 20 DBED N#CCC(=O)N1CC2(CCCN2C(=O)CCc2nc(N)n[nH]2)C1 1844182957 SPPRALUSRZMBAC-UHFFFAOYSA-N 317.353 -0.563 30 20 DBED Cn1ncc2c(=O)n(CC(=O)N[C@](C)(C#N)C3CC3)cnc21 17180361 HMNZSZGKALJXIQ-CQSZACIVSA-N 300.322 -0.062 30 20 DBED C=CC[C@@H](NC(=O)[C@H]1CCCCN1S(C)(=O)=O)C(=O)O 227518381 MUHYJBHIDGPBCA-NXEZZACHSA-N 304.368 -0.054 30 20 DBED Cn1c(NCC2(C(N)=O)CCCC2)c(C#N)c(=O)n(C)c1=O 265191145 HGXIXMNTEUGSBU-UHFFFAOYSA-N 305.338 -0.587 30 20 DBED C#CCCN1CCN(C(=O)CNC(=O)c2cccnc2)CC1 268819207 RKZKJDPJZLRSMX-UHFFFAOYSA-N 300.362 -0.021 30 20 DBED COC(=O)[C@H](CO)NC(=O)COc1ccc(C#N)cc1OC 272280319 TYQNLHRIIMUPJE-JTQLQIEISA-N 308.290 -0.404 30 20 DBED CNC(=O)CCCNC(=O)CNC(=O)c1ccc(C#N)cc1 274550886 XIRRFRVBNWQBMH-UHFFFAOYSA-N 302.334 -0.070 30 20 DBED C=CCN1CC[C@H](N2CCS(=O)(=O)C[C@@H]2C(=O)OC)C1=O 281484973 WWGBECNMIJFTPC-WDEREUQCSA-N 316.379 -0.955 30 20 DBED COCCN(CCC#N)S(=O)(=O)NCc1cnn(C)c1 282797681 JYAZAVTUTWYXBO-UHFFFAOYSA-N 301.372 -0.383 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H](CNC(=O)[C@@H](C)OCC#C)COC 295311129 NEZOKFOBEXXGOW-HZSPNIEDSA-N 324.377 -0.690 30 20 DBED CC(C)[C@H](C/N=C(/O)NC[C@]1(O)CCOC1)N1CCOCC1 328833786 LSQLPVQXASFTMT-DZGCQCFKSA-N 315.414 -0.002 30 20 DBED Nc1nsc(N2CCN(/C(O)=N/[C@@H]3[C@H]4COC[C@H]43)CC2)n1 330009330 GDPKALFOCRUJJK-BRPSZJMVSA-N 310.383 -0.199 30 20 DBED CC(C)N1C[C@H](N/C(O)=N/C[C@@H]2CN(C)CCN2C)CC1=O 330262272 UTNTWAIEUFXMST-CHWSQXEVSA-N 311.430 -0.255 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N(C)CCN1CCOCC1 330396472 RXKGFPWYSNNRSN-LBPRGKRZSA-N 304.416 -0.413 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N1CC[C@@H](C)S(=O)(=O)CC1 331985439 MXWDDQVLIYXNDF-WDEREUQCSA-N 323.440 -0.026 30 20 DBED CCN(CCC#N)S(=O)(=O)NCCCN1CCOCC1 336891561 JWUCXABWXLNPME-UHFFFAOYSA-N 304.416 -0.221 30 20 DBED CCN(CCC#N)S(=O)(=O)N[C@@H](CC(=O)OC)C(=O)OC 336914843 LYZLBTLWRRFHJK-VIFPVBQESA-N 321.355 -0.839 30 20 DBED CCOC(=O)[C@@](C)(O)CNS(=O)(=O)N(CC)C[C@@H](C)C#N 336950745 TZUASXUMNHDLOK-JQWIXIFHSA-N 321.399 -0.384 30 20 DBED N#CCNC(=O)CNC(=O)C(=O)c1cnn(-c2ccccc2)c1 344149243 HJOFNVBUPPGSMQ-UHFFFAOYSA-N 311.301 -0.189 30 20 DBED COc1cc(CN2C(=O)[C@@H]3CNC(=O)CN3C2=O)ccc1C#N 349021533 VKMFCOOTXXQALU-NSHDSACASA-N 314.301 -0.171 30 20 DBED Cn1cnnc1CCCNc1c(C#N)c(=O)n(C)c(=O)n1C 353897197 BBBNHIOEXUOUEO-UHFFFAOYSA-N 303.326 -0.871 30 20 DBED C=CCNC(=O)NC(=O)CN(C)[C@H](C)[C@H](C)S(C)(=O)=O 354565521 ZWYXNXMHBOSQHL-ZJUUUORDSA-N 305.400 -0.248 30 20 DBED CCOc1cc(F)ccc1NC(=O)C(=O)NCC(=O)NCC#N 357287178 JMJZDXWMIXFKIP-UHFFFAOYSA-N 322.296 -0.081 30 20 DBED C=CCOC[C@H](NC(=O)[C@@H]1CN(CC)CCO1)C(=O)OC 357672245 QIFUSDJUUYZJIL-RYUDHWBXSA-N 300.355 -0.433 30 20 DBED COC(=O)[C@H]1CN([C@@H](C(N)=O)c2ccc(C#N)cc2)CCO1 360287418 UTBNBMCKAIXUTA-CHWSQXEVSA-N 303.318 -0.042 30 20 DBED CC(C)(CCNS(=O)(=O)N1CCO[C@H](C#N)C1)C(=O)O 424387687 GOHHIWUTNHQRDJ-SECBINFHSA-N 305.356 -0.454 30 20 DBED C=CCn1cc(CNC(=O)C(=O)NCC2(N)CCCCC2)nn1 424517652 GRPZNQODJCWZRL-UHFFFAOYSA-N 320.397 -0.142 30 20 DBED N#CCCNC(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 426446161 UBVMQJCTLVFOAF-NSHDSACASA-N 318.399 -0.312 30 20 DBED Cc1ncc(S(=O)(=O)NCCC(=O)NC(N)=O)cc1C#N 489606823 QUPJWUVQBJTRBA-UHFFFAOYSA-N 311.323 -0.875 30 20 DBED C#CCN1CCN(C(=O)CN[C@H](C)[C@@H](C)C(=O)OCC)CC1 491192536 PRHAXTPHUCWKBL-ZIAGYGMSSA-N 309.410 -0.059 30 20 DBED C#C[C@@H](CC)NC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C 491689113 GOJNNTFRINXGOB-JTQLQIEISA-N 300.318 -0.226 30 20 DBED Cn1c(NCCn2ccccc2=O)c(C#N)c(=O)n(C)c1=O 547792856 XTYMACLSHNNNRW-UHFFFAOYSA-N 301.306 -0.771 30 20 DBED CN1CCC(N2CC[C@H](NC[C@@H](O)CN(C)CCC#N)C2)CC1 591736744 PBEXYXLQIXUHND-DOTOQJQBSA-N 323.485 -0.049 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)NCc1nc(C(N)=O)co1 594802948 FLQQJQLRKXQGBY-QMMMGPOBSA-N 315.355 -0.411 30 20 DBED Cc1cc(NC(=O)C(=O)NCC[C@H](C)N(C)C)nn1CCC#N 595125246 LKPCXTFJTIGLCB-NSHDSACASA-N 320.397 0.500 30 20 DBED C=CCSCCNC(=O)C(=O)N(C)C[C@@H]1COCCO1 597218603 PJTVYDBFDGJGDW-LLVKDONJSA-N 302.396 -0.104 30 20 DBED N#Cc1ccccc1OC[C@H](O)CNCCN1CC[C@H](O)C1 600762721 WEOXHNHQQUZTLR-LSDHHAIUSA-N 305.378 -0.046 30 20 DBED N#Cc1ncn(CC(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)n1 610883737 BMGNYAYFMPZZDF-NWDGAFQWSA-N 304.354 -0.793 30 20 DBED CCS(=O)(=O)NCC(=O)N1CCN([C@H](C#N)C(C)C)CC1 611147485 SGNGIIDUMMZOKU-GFCCVEGCSA-N 316.427 -0.382 30 20 DBED CS(=O)(=O)N1CC[C@H](CNC(=O)N2CC[C@](F)(C#N)C2)C1 615547317 FXKTWRZMNLDOOR-PWSUYJOCSA-N 318.374 -0.085 30 20 DBED CC#CC[C@H](CO)NC(=O)c1ccc(S(N)(=O)=O)s1 649188543 MPBIJJGTOGKEDA-MRVPVSSYSA-N 302.377 -0.100 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N[C@@H](C)[C@H]1CN(C)CCO1 685337388 KTVJIMKIPWQPTG-QWHCGFSZSA-N 313.398 -0.517 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2cc(OC)ccn2)CC1 734812571 HWXVEVRHMLKCHI-UHFFFAOYSA-N 316.361 -0.403 30 20 DBED N#CCCNC(=O)CNc1ccccc1C(=O)NCCC(N)=O 759776870 OOZICJJTTRYJRA-UHFFFAOYSA-N 317.349 -0.266 30 20 DBED C#CCCN1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 760851788 CRZJAZOFNMMFBB-UHFFFAOYSA-N 311.363 -0.292 30 20 DBED C#CCOCCNS(=O)(=O)c1cccc(-n2cnnn2)c1 784454667 RDLNFOPJLNGDSB-UHFFFAOYSA-N 307.335 -0.410 30 20 DBED C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N[C@H]1CNC(=O)C1 784867212 GILQPSCJUSRARC-VHSXEESVSA-N 316.317 -0.079 30 20 DBED C#CCOCCNC(=O)C(=O)Nc1cnn(C[C@H]2CCCO2)c1 785161957 YGUWZCMNDJHLDP-CYBMUJFWSA-N 320.349 -0.233 30 20 DBED C#CCC[C@@H](O)CNC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 799075371 BOPNCPWDVJLYTG-XMKDAVRRSA-N 320.345 -0.961 30 20 DBED COC[C@H](C)CNC(=O)C(=O)NCCNc1ccc(C#N)cn1 803157007 ROCIPEUOZJJXLG-LLVKDONJSA-N 319.365 -0.120 30 20 DBED CC(C)(C)[S@](=O)CCNC(=O)NCCn1cnc(C#N)n1 805126038 DHTUPMZFPAILJH-OAQYLSRUSA-N 312.399 -0.004 30 20 DBED C#CCC[C@@H](O)CNC(=O)NCCn1cc(C(=O)OC)nn1 807251114 QABPHFIRXGUSRI-SNVBAGLBSA-N 309.326 -0.862 30 20 DBED C[C@](C#N)(CC(=O)O)C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 819811898 WPSVGPBGFDTEHV-IAQYHMDHSA-N 323.349 -0.159 30 20 DBED C#CCN(CC#N)C(=O)COc1nsnc1N1CCOCC1 822679485 JOUXIGVXXDEQPM-UHFFFAOYSA-N 321.362 -0.261 30 20 DBED C=CCC[C@@H](NC(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)OCC 837026485 SUMONWAJMITCSV-LLVKDONJSA-N 323.349 -0.288 30 20 DBED CC(=O)NCC(=O)NS(=O)(=O)Cc1cc(C#N)ccc1F 851191402 CFYGKEZOFKEZLB-UHFFFAOYSA-N 313.310 -0.221 30 20 DBED C#CCCOC(=O)N(CC)CC(=O)N[C@@H]1CCS(=O)(=O)C1 858880196 ZJNMCGLAHDDUPJ-LLVKDONJSA-N 316.379 -0.229 30 20 DBED C=CCSCCNC(=O)C(=O)N1CCC(CO)(CO)CC1 875132221 NXQXVIUCTCQDOK-UHFFFAOYSA-N 316.423 -0.385 30 20 DBED C=CCN(C(=O)[C@H]1C[C@H]1C(=O)OC)[C@H]1CCS(=O)(=O)C1 888862676 NHTJWDQKYFYSPT-GARJFASQSA-N 301.364 -0.003 30 20 DBED CCC#CCOC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 893833822 YMBMVFPBFMQVIJ-UHFFFAOYSA-N 304.306 -0.610 30 20 DBED CCN(C(=O)c1cccc(C#CCO)c1)[C@@H]1CC(=O)NC1=O 900458836 UKRNPPKUTAWLPB-CYBMUJFWSA-N 300.314 -0.092 30 20 DBED CN(C)CC#CCNC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C 913519693 KZRGNRZGEAJBPG-NSHDSACASA-N 303.428 -0.369 30 20 DBED C#CCN1CCC[C@H](NC(=O)[C@@H]2CCCN2S(C)(=O)=O)C1 923590488 YFCRUTSEOFYMTP-STQMWFEESA-N 313.423 -0.376 30 20 DBED C#CCN1CCC[C@H](NC(=O)Cn2ccc(C(=O)OC)n2)C1 923596511 RTMKCDCMRXOQLS-LBPRGKRZSA-N 304.350 -0.117 30 20 DBED C#CC1(O)CN([C@H](C)C(=O)N2CCN(c3ncccn3)CC2)C1 934448093 ZIUHWPMVNCIDEJ-CYBMUJFWSA-N 315.377 -0.806 30 20 DBED C=CCn1cccc1C(=O)N1CCCN(C(=O)C(N)=O)CC1 941390481 WFSAHIKBAXAKLN-UHFFFAOYSA-N 304.350 -0.166 30 20 DBED Cc1n[nH]cc1C(=O)NC[C@H]1CN(C(=O)[C@@H](C)C#N)CCO1 944701519 SSRKMZZXEVVTLG-ONGXEEELSA-N 305.338 -0.165 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)[C@@H](C)C1 945182219 PFQRCEGNHFTCNV-RYUDHWBXSA-N 318.381 -0.773 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]1CNC(=O)c1ccoc1CC(N)=O 951844994 BBERKIOFFDLYCG-VHSXEESVSA-N 318.333 -0.202 30 20 DBED C[C@@H]1C[C@@H](C(=O)N(C)C2CN(C(=O)C#CC3CC3)C2)CC(=O)N1 954692495 YXIMOLKAPNPNMA-DGCLKSJQSA-N 317.389 -0.016 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2cn(C)c(C)cc2=O)C1 958150838 ATTAUUIHWJIJCM-DOMZBBRYSA-N 303.362 -0.651 30 20 DBED CN(C)Cc1ccoc1C(=O)NC[C@H]1CN(CC#N)C[C@@H]1O 958345696 QJXAWTDJGZLYDH-STQMWFEESA-N 306.366 -0.113 30 20 DBED N#CCN1C[C@H](CNC(=O)c2csc3cncn23)[C@@H](O)C1 958454009 SCDCGWHRKOUNNV-ONGXEEELSA-N 305.363 -0.058 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2ncoc2-c2ccon2)C1 958595624 SSAQJBYHKDKROY-CMPLNLGQSA-N 316.317 -0.015 30 20 DBED C#CCCN1C[C@@H](O)[C@H](CNC(=O)C2CCN(C(C)=O)CC2)C1 958657898 QDWGFPCKJRRAAH-HZPDHXFCSA-N 321.421 -0.323 30 20 DBED C#CCN1CCC(C(=O)NC[C@H]2CN(CC#CC)C[C@@H]2O)CC1 958723753 JMKNVLPEXYHAIH-IRXDYDNUSA-N 317.433 -0.236 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)CCc3nc[nH]n3)C[C@@H]2C1 961288593 HYLPAQCTTYJROM-UTUOFQBUSA-N 316.365 -0.186 30 20 DBED CC#CCN1C[C@H]2[C@H](NC(=O)[C@H]3CCN(C)S3(=O)=O)[C@H]2C1 962005736 DGKJSBKGOPXEQX-XQHKEYJVSA-N 311.407 -0.910 30 20 DBED CCc1cc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)n(C)n1 970066482 HUBDBYKRVQIDCA-XWIASGKRSA-N 319.365 -0.556 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@]2(CN(CC(=O)N3CCC3)CCO2)C1 972297166 HBWHIKSIGBMFKE-XJKSGUPXSA-N 320.393 -0.318 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@@H]3CN(C(=O)C(N)=O)[C@@H]3C2)cn1 974956289 PACSOECKJIHIIO-DGCLKSJQSA-N 312.329 -0.779 30 20 DBED CC(=O)N1CC(C(=O)NC[C@H]2CCCN(C(=O)[C@@H](C)C#N)C2)C1 975230140 RBPOZPRTZRXHLB-WCQYABFASA-N 320.393 -0.021 30 20 DBED N#Cc1cc(C(=O)NC2CN(C(=O)c3cncnc3O)C2)c[nH]1 990935610 NSSXILZJVNJZLH-UHFFFAOYSA-N 312.289 -0.364 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)c2cnn3c(=O)cc[nH]c23)C1 991668892 WWYUXNRRUYRIFQ-QMMMGPOBSA-N 314.305 -0.877 30 20 DBED C=CCN1CC[C@@]2(NC(=O)c3cn(CC(N)=O)nn3)CCC[C@@H]12 992523727 IUQBPSUADONUSY-DOMZBBRYSA-N 318.381 -0.324 30 20 DBED O=C(N[C@H]1CC(=O)N(C2CN(C(=O)C#CC3CC3)C2)C1)C1CC1 995464907 RASHOECOSLBJNA-ZDUSSCGKSA-N 315.373 -0.262 30 20 DBED COc1c(O)nc(O)nc1C(=O)N1C[C@@H](NCC#N)C(C)(C)C1 996514269 VVZSVSXFJIFTGV-MRVPVSSYSA-N 321.337 -0.140 30 20 DBED C#CCN1CC=C(CNC(=O)[C@H]2CC(=O)N(CCOC)C2)CC1 1000745620 FPSXCNFXCVPEPZ-HNNXBMFYSA-N 319.405 -0.137 30 20 DBED N#Cc1ccc(C(=O)NCC2CN(C(=O)[C@H]3CCC(=O)N3)C2)[nH]1 1001478266 QOSAUEZZHJKDQO-GFCCVEGCSA-N 315.333 -0.647 30 20 DBED CC#CCN1CCC(NC(=O)Cn2nc(C)n(C)c2=O)CC1 1004073523 CDBFSKHPUWIXEG-UHFFFAOYSA-N 305.382 -0.506 30 20 DBED C[C@H](c1nnnn1C)N1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 1010478812 NFNOUCDULNYWRA-MWLCHTKSSA-N 314.353 -0.025 30 20 DBED CCN1CCOC[C@H]1C(=O)N1CCN(C(=O)[C@H](C)C#N)CC1 1011355076 GWNAFRHQZWIXFE-OLZOCXBDSA-N 308.382 -0.462 30 20 DBED N#Cc1cc(C(=O)NC2[C@H]3CN(C(=O)c4cnn[nH]4)C[C@H]23)c[nH]1 1012978644 MXQFEKPZGOEFTL-UWVGGRQHSA-N 311.305 -0.495 30 20 DBED N#Cc1cc(C(=O)NC[C@@H]2CC[C@@H](NC(=O)C(N)=O)C2)c[nH]1 1015556417 YMVKMSKFCWUMMO-PSASIEDQSA-N 303.322 -0.614 30 20 DBED C=CCN1CC[C@@H](N2CC[C@H](NC(=O)Cn3cncn3)C2)C1=O 1016193277 VUUDCKLJGPSWCD-QWHCGFSZSA-N 318.381 -0.745 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NCc2n[nH]c(C)n2)C1 1022221170 ZDZPRSHEDGUJHU-MJBXVCDLSA-N 316.409 -0.052 30 20 DBED Cc1c(C(=O)N2C[C@@H]3CCN(C(=O)[C@H](C)C#N)[C@@H]3C2)nnn1C 1022563789 BYRIFDROYDNEOS-ADEWGFFLSA-N 316.365 -0.044 30 20 DBED C=CCn1cc(C(=O)N[C@H]2C[C@@H](NCc3nc(O)n[nH]3)C2)nn1 1022824659 LCGSBAZKLYPEEM-DTORHVGOSA-N 318.341 -0.662 30 20 DBED Cc1ccnc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2O)n1 1023548080 CFDDHXMUMRTUPM-JMJZKYOTSA-N 303.322 -0.754 30 20 DBED Cc1n[nH]c(C)c1C(=O)N[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1O 1025090103 OSFZCZMDVHKJPX-AVPPRXQKSA-N 305.338 -0.512 30 20 DBED C=CCN(C)[C@H]1CCCN(C(=O)c2cn(CC(N)=O)nn2)C1 1027692901 PHJZDFQXUHXSEG-NSHDSACASA-N 306.370 -0.514 30 20 DBED N#Cc1ccc(C(=O)NC[C@@H]2CCCN2[C@@H]2CCNC2=O)[nH]1 1027831486 QHRPORDYFBDDGB-WCQYABFASA-N 301.350 -0.031 30 20 DBED C#Cc1ccc(C(=O)NC2CN(CCN3CCNC3=O)C2)nc1 1031278192 GSIOBBJXMANUGU-UHFFFAOYSA-N 313.361 -0.498 30 20 DBED N#Cc1cc(C(=O)NCC2CN(CCN3CCNC3=O)C2)c[nH]1 1031623259 ZPRMUMFJLODQOL-UHFFFAOYSA-N 316.365 -0.427 30 20 DBED Cc1nc(C(=O)N2C[C@@H]3C[C@H]2CN3CC#N)nn1-c1nc[nH]n1 1032551187 NTDZZJABOKVKMR-UWVGGRQHSA-N 313.325 -0.884 30 20 DBED C#CCCN1CCO[C@H](CNC(=O)[C@@H]2CC(=O)N(CC)C2)C1 1035391840 QEEMQOAYNVIECJ-ZIAGYGMSSA-N 307.394 -0.305 30 20 DBED C=C(C)CN1CCO[C@H](CNC(=O)c2nnc(O)nc2O)C1 1035432707 RFLPVNLXEHPEST-SECBINFHSA-N 309.326 -0.711 30 20 DBED CS(=O)(=O)CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1c[nH]c(C#N)c1 1037370722 IZGOPPBBPJMERQ-KGYLQXTDSA-N 322.390 -0.267 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)Cc2ccn(C)n2)C1 1039696672 DRMUKSOKLGYIGR-ABAIWWIYSA-N 319.365 -0.798 30 20 DBED C[C@H]1[C@@H](Nc2cnc(C#N)cn2)CCN1C(=O)[C@H]1C[C@H]1C(N)=O 1040249630 WMODDRRACZZGSZ-IELRGYKMSA-N 314.349 -0.129 30 20 DBED Cc1nn[nH]c1C(=O)NC[C@@]1(O)CCN(C(=O)C#CC2CC2)C1 1040467220 OUWHXVBMFBQVBO-HNNXBMFYSA-N 317.349 -0.780 30 20 DBED C=CCCC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2CCN(C)C2=O)C1 1040614046 UYCXUZVZVWSHBC-BLLLJJGKSA-N 323.393 -0.490 30 20 DBED C[C@@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)c2ccnc(O)c2)C1 1040759361 ADULTTUAYRCKGN-ZUZCIYMTSA-N 318.333 -0.360 30 20 DBED Cc1cc(C#N)nc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCO3)C2)n1 1040898431 LKTXCKXXONMBPV-JHJVBQTASA-N 317.349 -0.499 30 20 DBED N#Cc1nccnc1N1C[C@@H](O)[C@H](NC(=O)C2=COCCC2)C1 1040944467 DANFUQREGSORAG-CHWSQXEVSA-N 315.333 -0.292 30 20 DBED C=CCOCCCC(=O)N1CC(O)(CNC(=O)CCOC)C1 1041050673 KQPGJGPBYWZRBH-UHFFFAOYSA-N 314.382 -0.305 30 20 DBED N#Cc1ccc(C(=O)N2CC(O)(CNC(=O)[C@H]3CCCO3)C2)[nH]1 1041350504 PTDPLZGAMMXBCU-GFCCVEGCSA-N 318.333 -0.632 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)[C@H]2CCN(C)C(=O)C2)C1 1041973030 OYJXFBIQBDQWNI-LBPRGKRZSA-N 323.393 -0.490 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)[C@H](C)COC)C1 1042032170 VXPFNBFATVSOIM-LLVKDONJSA-N 300.355 -0.839 30 20 DBED C#CCCCCC(=O)NCC1(O)CN(C(=O)[C@H]2COCCO2)C1 1042658702 OKSMOINOEPLPQI-CYBMUJFWSA-N 324.377 -0.715 30 20 DBED C#CCNC(=O)CC(=O)NCC1(O)CN(C(=O)C[C@@H](C)CC)C1 1042672663 WEMLIHYRZROYAH-LBPRGKRZSA-N 323.393 -0.748 30 20 DBED CC(C)(C)C#CC(=O)NCC1(O)CN(C(=O)Cc2cnoc2)C1 1042970584 QHVCOGXZYFPMSB-UHFFFAOYSA-N 319.361 -0.044 30 20 DBED CCC(=O)N[C@@H](C)C(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1043405197 UAUMUGYXFOJOML-NSHDSACASA-N 321.377 -0.996 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)[C@]2(C)CCCOC2)C1 1045362185 KCZUKRZIVQCGJJ-BXUZGUMPSA-N 309.366 -0.348 30 20 DBED C#CCN1CCC2(CC1)CO[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)C2 1045677879 CXVRAQUGTLMEGP-OLZOCXBDSA-N 320.393 -0.712 30 20 DBED C[C@@H]1C[C@H]1CC(=O)NCC1(O)CN(C(=O)CSCC#N)C1 1045743600 DOPRCXHOGPFGCI-MNOVXSKESA-N 311.407 -0.021 30 20 DBED C=C(C)CCC(=O)N1CC(O)(CNC(=O)Cc2nc[nH]n2)C1 1046905453 RNSSFYMZNHXECH-UHFFFAOYSA-N 307.354 -0.607 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CC(C)C)C1 1048090263 INVARKJPBPWXGB-STQMWFEESA-N 323.393 -0.798 30 20 DBED COCCOCC(=O)N(C)[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 1048566048 KPJQDJTZGGITNV-KBPBESRZSA-N 324.377 -0.907 30 20 DBED C=CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2nnn(C)n2)C1 1049230064 PHZNITODYSIKGP-QWRGUYRKSA-N 322.369 -0.790 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)c2cccc(O)n2)C[C@@H]1O 1049388709 PAJGUAPFOYAEDK-USWWRNFRSA-N 318.333 -0.409 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)c2ccnnc2)C[C@@H]1O 1049402138 PYTRPWGZEDVSLP-DLOVCJGASA-N 303.322 -0.720 30 20 DBED C=CCN1CC2(C1)CN(C(=O)[C@@H]1CCCN(C(N)=O)C1)CCO2 1053332083 KXAKFOJOSHTYOK-CYBMUJFWSA-N 322.409 -0.124 30 20 DBED C=CCCN1CC2(C[C@H](NC(=O)[C@H]3CN(C)CCO3)CO2)C1 1053766407 MNSXXEJHRTUCRV-UONOGXRCSA-N 309.410 -0.147 30 20 DBED Cc1cccn(CC(=O)N[C@@H]2COC3(C2)CN(CC#N)C3)c1=O 1053801912 VIXIZWKXCBUUBD-ZDUSSCGKSA-N 316.361 -0.360 30 20 DBED C=CCCN1CC2(C[C@H](NC(=O)CN3CCOCC3=O)CO2)C1 1053830445 AXDHGPAZQLEIQB-ZDUSSCGKSA-N 323.393 -0.619 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)c3ccn(C)c(=O)c3)CO2)C1 1053849440 KHIIFYUPTWMEMD-CYBMUJFWSA-N 301.346 -0.408 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)C[C@H]3CCC(=O)N3C)CO2)C1 1053887853 SHZCVMPPYJXHHJ-ZIAGYGMSSA-N 319.405 -0.020 30 20 DBED N#Cc1c[nH]ccc1=NC[C@]12CCC[C@H]1CN(C(=O)C(N)=O)C2 1055680970 BUWCPVYHKQWKDE-LRDDRELGSA-N 313.361 -0.099 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@](CO)(NC(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1056061439 IFNDRVAWFKHREI-XRMRDTNMSA-N 321.377 -0.492 30 20 DBED C#CCOCCC(=O)N1CCC[C@](CO)(NC(=O)[C@H](C)C#N)C1 1056097553 RKCYIZBHPORUNG-CJNGLKHVSA-N 321.377 -0.344 30 20 DBED C[C@]1(C(=O)N2CC[C@@H](Nc3nccnc3C#N)C2)CNC(=O)C1 1056738423 BLIALXYAVMHODM-MEBBXXQBSA-N 314.349 -0.113 30 20 DBED CN(c1cnc(C#N)cn1)[C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1 1056873146 GIRHAFCNNVQBIG-VXGBXAGGSA-N 314.349 -0.336 30 20 DBED CN(c1ccc(C#N)nn1)[C@@H]1CCN(C(=O)c2nnn(C)n2)C1 1057002965 WMGHMDCVSMRKAW-SNVBAGLBSA-N 313.325 -0.777 30 20 DBED C#CCOCCC(=O)NCCN(CCO)C(=O)C1=COCCC1 1057175901 GESYPYCNWXPZAW-UHFFFAOYSA-N 324.377 -0.342 30 20 DBED N#Cc1ccc(N2CCCN(C(=O)Cn3ncnn3)CC2)nc1 1057182426 HZJVBGXGDMVDSC-UHFFFAOYSA-N 312.337 -0.321 30 20 DBED Cc1cc(C#N)nc(NC2CCN(C(=O)CC(N)=O)CC2)n1 1057299317 CRIVETUNMCAVAQ-UHFFFAOYSA-N 302.338 -0.065 30 20 DBED Cn1ccc(CC(=O)N(CCO)CCNC(=O)C#CC2CC2)n1 1057548335 HVXFNTQBFWOGAP-UHFFFAOYSA-N 318.377 -0.687 30 20 DBED Cc1n[nH]c(C)c1CC(=O)N(CCO)CCNC(=O)[C@H](C)C#N 1057561642 WZZVBGYXIMAJPB-SNVBAGLBSA-N 321.381 -0.334 30 20 DBED C#CCO[C@H](C)C(=O)N(CCO)CCNC(=O)c1ccn(C)c1 1057583355 OAWNKMWTUAUDCO-CYBMUJFWSA-N 321.377 -0.386 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)[C@H]1CC(=O)N(C)C1 1057851144 BAGNJURUNKJTFW-ZDUSSCGKSA-N 323.393 -0.795 30 20 DBED N#Cc1cnc(N2CC[C@@H](NC(=O)Cn3ncnn3)C2)c(F)c1 1058452551 VGLHCTBLFOVDER-SNVBAGLBSA-N 316.300 -0.526 30 20 DBED N#Cc1ccc(N2CC[C@@H](NC(=O)C[C@@H]3CCNC3=O)C2)nn1 1058465114 KXJMHMVJHFNIMM-CMPLNLGQSA-N 314.349 -0.431 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)CCc1ncccn1 1058655098 QGPRVXUOWBLVAX-LBPRGKRZSA-N 319.365 -0.494 30 20 DBED Cc1ccc(C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N)c(O)n1 1058658876 NOUDAJJXABYKOY-JTQLQIEISA-N 320.349 -0.194 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H]1CCN(C(=O)Cn2cnnn2)C1 1060801777 AFMXUQHPMGQYCL-NSHDSACASA-N 312.337 -0.678 30 20 DBED N#Cc1nccnc1NC[C@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 1060966961 GOXFRVXWRBVOQL-SNVBAGLBSA-N 314.349 -0.126 30 20 DBED C#CCOCCC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H](C)OC 1061371148 ZPHKFOHDTCHBTP-OLZOCXBDSA-N 312.366 -0.595 30 20 DBED CCNC(=O)CC(=O)NC[C@H]1COCCN1C(=O)[C@@H](C)C#N 1061519230 YPLWJJYQVAQPMX-QWRGUYRKSA-N 310.354 -0.984 30 20 DBED C=CCCC(=O)N1CCOC[C@@H]1CNC(=O)c1cnn(C)c1N 1061522567 YSPKLZLAYYUZAE-NSHDSACASA-N 321.381 -0.074 30 20 DBED C=C(C)CCC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1CCC(=O)N1 1061629183 NZTYUBPCVVTQPZ-STQMWFEESA-N 323.393 -0.035 30 20 DBED N#Cc1cnc(N2[C@H]3CC[C@H]2CN(C(=O)Cn2nccn2)C3)cn1 1061994957 GDUDGLRQFWVGEZ-STQMWFEESA-N 324.348 -0.180 30 20 DBED CN(C(=O)Cn1cnnn1)[C@@H]1CCN(c2ccc(C#N)nc2)C1 1062876202 DZQLFIUFZQKXCF-CYBMUJFWSA-N 312.337 -0.323 30 20 DBED C#CCO[C@H](C)C(=O)NC1(CNC(=O)Cn2nccn2)CCC1 1063179383 VEPTYIGCBHMEAB-GFCCVEGCSA-N 319.365 -0.529 30 20 DBED Cc1nn[nH]c1C(=O)N[C@H]1[C@H]2C[C@H]1N(c1cnc(C#N)cn1)C2 1064325296 WTBHTBFQWBJVOI-PLMOITTCSA-N 310.321 -0.218 30 20 DBED CSCC(=O)NC[C@H]1CN(C(=O)CSCC#N)CCO1 1064881394 TUCZLJMFDANHPX-JTQLQIEISA-N 317.436 -0.050 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)C[C@H](C)OC)CCO1 1064954481 WKQGDDPTZBANPM-QWHCGFSZSA-N 314.382 -0.042 30 20 DBED Cn1cc(C(=O)N2CCO[C@H](CNC(=O)C#CC3CC3)C2)nn1 1065113922 STMWIVXBASPRAX-GFCCVEGCSA-N 317.349 -0.814 30 20 DBED Cc1ccnn1CC(=O)N1CCO[C@@H](CNC(=O)[C@H](C)C#N)C1 1065162139 VHYUGLQKQJTRML-YPMHNXCESA-N 319.365 -0.305 30 20 DBED C=CCO[C@@H](C)C(=O)N(C)CCCN(C)C(=O)Cn1cnnn1 1066785972 CEQKDHZSGWJCHH-LBPRGKRZSA-N 324.385 -0.429 30 20 DBED C[C@H](Nc1cncc(C#N)n1)[C@@H]1CN(C(=O)CC(N)=O)CCO1 1068227341 JOWCEMJCLAGFNU-ONGXEEELSA-N 318.337 -0.749 30 20 DBED C=CCCC(=O)N1CC2(C1)CN(C(=O)[C@@H](C)CC(N)=O)CCO2 1068420489 BMBYVZHPTNTXQC-LBPRGKRZSA-N 323.393 -0.096 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1COC2(C1)CN(C(=O)c1nc[nH]n1)C2 1069002674 HBUXQUIRXXRDFB-IUCAKERBSA-N 304.310 -0.936 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1COC2(C1)CN(C(=O)c1cnn(C)n1)C2 1069004532 WTNNKCPVSQPLON-UWVGGRQHSA-N 318.337 -0.926 30 20 DBED C[C@H]1C[C@H](Nc2nccnc2C#N)CN1C(=O)Cn1ncnn1 1069151684 IHGWNYJHXUREJD-UWVGGRQHSA-N 313.325 -0.564 30 20 DBED C=CCO[C@H](C)C(=O)N1CCC(CC)(NC(=O)C(N)=O)CC1 1069437498 CQDZPFXWGZSLLL-LLVKDONJSA-N 311.382 -0.050 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1CCCN(C(=O)C(N)=O)C1 1071220504 IULUGJQLSGNALA-NEPJUHHUSA-N 324.381 -0.950 30 20 DBED C#CCN1CCN([C@H]2CCCN(C(=O)c3cc[nH]n3)C2)C(=O)C1 1071255014 CGJCYNRBVNDEFX-ZDUSSCGKSA-N 315.377 -0.208 30 20 DBED CNC(=O)NCC(=O)N[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1C 1072062642 GANFRMSIRJDMDT-VXGBXAGGSA-N 322.409 -0.072 30 20 DBED CC#CCCCC(=O)N[C@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1C 1072162116 VGNDQLPENLLVFW-STQMWFEESA-N 318.381 -0.170 30 20 DBED C#CCCN1CCO[C@H]2CCN(C(=O)Cn3cnnc3O)C[C@@H]21 1074212178 LDTZJTUSYIKFRG-STQMWFEESA-N 319.365 -0.691 30 20 DBED C=CCCO[C@@H](C)C(=O)NCC[C@H](C)NC(=O)CNC(N)=O 1075845700 AFPIHFMGVNGXIV-QWRGUYRKSA-N 314.386 -0.353 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCCN2C(=O)CC)C1 1077045110 WOUHOJGWCOGPOX-QLFBSQMISA-N 321.421 -0.038 30 20 DBED CC#CCCCC(=O)NCC[C@H](C)NC(=O)[C@H]1CNC(=O)N1 1077898952 KCFLACIZTSIEQB-NWDGAFQWSA-N 308.382 -0.128 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)Cc2c(C)nc(C)nc2O)C1 1078168830 OHNBSJFZKGHMLX-ZIAGYGMSSA-N 318.377 -0.474 30 20 DBED N#CCN[C@H]1C[C@@H](NC(=O)CN2CCOCC2=O)C12CCC2 1078648388 ZBSGNHZZNCHGRQ-NWDGAFQWSA-N 306.366 -0.614 30 20 DBED CN(C(=O)CNC(N)=O)[C@H]1CCCN(C(=O)C#CC2CC2)CC1 1078815092 KCLRYDZURCMSMH-ZDUSSCGKSA-N 320.393 -0.092 30 20 DBED CCN(C(=O)CNC(N)=O)C1CN(C(=O)c2c[nH]c(C#N)c2)C1 1079279504 IVIJXLVQAODABS-UHFFFAOYSA-N 318.337 -0.772 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)CNC(=O)CC)C1 1079503006 QMLDQFUXQXLCAG-LBPRGKRZSA-N 323.393 -0.390 30 20 DBED CO[C@H](C)C(=O)NC1(CO)CCN(C(=O)C#CC2CC2)CC1 1080751218 GFVSIWRSKQWCER-GFCCVEGCSA-N 308.378 -0.096 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2ncoc2C)C[C@H]1O 1081343457 CIAOXMHZBHPNRB-NWDGAFQWSA-N 323.349 -0.265 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)Cc2ccc[nH]2)C[C@H]1O 1081347621 YEHSKOKXZQMRJL-TZMCWYRMSA-N 321.377 -0.305 30 20 DBED C#CCCCCC(=O)NC[C@H]1CN(C(=O)c2cnn[nH]2)C[C@@H]1O 1081422616 OOMVDYPGBHFLMY-AAEUAGOBSA-N 319.365 -0.453 30 20 DBED CC(F)(F)C(=O)N1C[C@H](CNC(=O)C#CC2CC2)[C@@H](O)C1 1081469523 YFJLKKJSTLWAHB-QWRGUYRKSA-N 300.305 -0.010 30 20 DBED COCC1(C(=O)N2C[C@H](CNC(=O)C#CC3CC3)[C@@H](O)C2)CC1 1081473385 GDWLQYVHEUUFBF-KBPBESRZSA-N 320.389 -0.238 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cncnc2O)C1 1081567015 PPFGBTGKLCWKHT-CMPLNLGQSA-N 320.349 -0.303 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@H](CNC(=O)C2(C(=O)NC)CC2)C1 1081594118 AUKAUZDKCVVTOT-NEPJUHHUSA-N 323.393 -0.586 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)c2cnc3n2CCOC3)C1 1083541095 PQKWGFZGQQCMOC-YPMHNXCESA-N 306.366 -0.236 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)c2cn3c(n2)COCC3)C1 1083569181 GLTPFDZBNUGVHN-YPMHNXCESA-N 306.366 -0.236 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1083663459 STAATKCEOMYRMW-SBJFKYEJSA-N 308.378 -0.778 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)C[C@@H]2C(=O)Nc3ccccc32)C1 1084113640 RAVQGDIXJQNZIM-CFVMTHIKSA-N 313.357 -0.093 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CO[C@@H]2CCN(CC(N)=O)C2)CC1 1088230784 ZCWOUXXGVHHFBN-GXTWGEPZSA-N 322.409 -0.039 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2cnc(C)nc2OC)[C@H](O)C1 1090310645 MPHDAXPTVOKMPI-ZIAGYGMSSA-N 318.377 -0.018 30 20 DBED N#CCN1CC[C@H](NC(=O)c2cc3n(n2)CCCC3)[C@H](O)C1 1090345484 ANFADIOOEOUTLO-GXTWGEPZSA-N 303.366 -0.092 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2cc(C(N)=O)cn2C)[C@@H](O)C1 1090398601 FPXIHTAAGAFMJD-OCCSQVGLSA-N 318.377 -0.688 30 20 DBED C#CCN1CC[C@H](NC(=O)c2ccnc3[nH]nnc23)[C@@H](O)C1 1090418941 BCDYFXHCRSWHSQ-QWRGUYRKSA-N 300.322 -0.849 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCN(CC#CC)C[C@@H]2O)nn1 1090632061 BUAUKIRIHPWQRA-JSGCOSHPSA-N 303.366 -0.348 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cn(CC3CC3)nn2)[C@@H](O)C1 1090684176 VVGBWYBQZIBXDI-JSGCOSHPSA-N 303.366 -0.514 30 20 DBED C[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1NC(=O)C(C)(C)C(N)=O 1090781491 YPDRJBROSZNZDT-NXEZZACHSA-N 316.365 -0.199 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2ccc(NC(N)=O)cc2)[C@@H](O)C1 1090783254 LCWIZJCQDXFFJF-OLZOCXBDSA-N 317.349 -0.134 30 20 DBED N#Cc1nccnc1N[C@@H]1CC[C@H](CNC(=O)CC(N)=O)C1 1091569055 HXGWJDIRTVPSRU-VHSXEESVSA-N 302.338 -0.080 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)[C@@H]3[C@H]4COC[C@H]43)c3nccn32)C1 1092387300 VFTDTRWGDQGODW-QNWHQSFQSA-N 313.361 -0.129 30 20 DBED CC(=O)NCC(=O)NC1[C@H]2CN(c3nc(C)ccc3C#N)C[C@H]12 1093215501 MVPLYHZTSKSBGZ-STQMWFEESA-N 313.361 -0.051 30 20 DBED CNC(=O)CC(=O)NC1[C@H]2CN(c3nccnc3C#N)C[C@H]12 1093242377 UHXVVQDLVRLKRQ-IUCAKERBSA-N 300.322 -0.965 30 20 DBED CO[C@H](C(=O)NCCNc1cncc(C#N)n1)c1cnn(C)c1 1094011407 HKHUHBIGJWOHLS-ZDUSSCGKSA-N 315.337 -0.002 30 20 DBED Cc1cc(=NCCNC(=O)CN2CCOCC2=O)c(C#N)c[nH]1 1094211210 VOQICQVFMQDQHS-UHFFFAOYSA-N 317.349 -0.930 30 20 DBED C=CCN1CC(n2cc(CNC(=O)[C@@H]3CCC(=O)N3C)nn2)C1 1094310442 KNJWDYUVPUSLTM-ZDUSSCGKSA-N 318.381 -0.442 30 20 DBED CCc1nc(C#N)cc(NCCCNC(=O)[C@@H]2CCNC2=O)n1 1094706762 HYZQJKRPJOTJST-NSHDSACASA-N 316.365 -0.035 30 20 DBED CN1C(=O)CC[C@@H]1C(=O)NCCCN=c1cc[nH]cc1C#N 1094732405 LRDVDOQVDXWAJF-CYBMUJFWSA-N 301.350 -0.086 30 20 DBED CN(CCCNC(=O)[C@]1(C)CCNC1=O)c1cncc(C#N)n1 1095736401 UCEHFRITFMPZJG-HNNXBMFYSA-N 316.365 -0.183 30 20 DBED CNC(=O)CC(=O)NC[C@H]1CCCN(c2cnc(C#N)cn2)C1 1097295516 JEGFMPBCOPYATD-LLVKDONJSA-N 316.365 -0.183 30 20 DBED CC#CCNCc1cn([C@H]2CCN(C(=O)CC(=O)NC)C2)nn1 1098658548 GOBDGNKJEPODRZ-ZDUSSCGKSA-N 318.381 -0.700 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)C2=COCCO2)[C@@H](O)C1 1099643027 ZZNLKVQSCNCIHB-OLZOCXBDSA-N 310.350 -0.924 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)C2=COCCC2)[C@@H](O)C1 1099728397 WPOXCRTXFXEODD-KBPBESRZSA-N 323.393 -0.466 30 20 DBED C#CCCN1CC[C@H](NC(=O)CNC(=O)N2CCCC2)[C@@H](O)C1 1099830424 RQJWMYFJMLSHKS-KBPBESRZSA-N 322.409 -0.634 30 20 DBED CC#CCCCC(=O)N[C@@H]1CCN(CC(=O)NCC)C[C@H]1O 1099962229 LPOIUWYDVJAQNA-ZIAGYGMSSA-N 309.410 -0.133 30 20 DBED CCN(CCC#N)C(=O)CNC1CC(CNC(=O)CC(N)=O)C1 1100209175 XLHKLVLYPJNRQP-UHFFFAOYSA-N 323.397 -0.892 30 20 DBED N#Cc1cnccc1N(CCNC(=O)CNC(N)=O)C1CC1 1101280303 QYSBTQTXPHPWEF-UHFFFAOYSA-N 302.338 -0.293 30 20 DBED CN(C)S(=O)(=O)CC(=O)N1C[C@H]2CN(CC#N)C[C@@]2(C)C1 1101449670 FYTIWFMJVYFKPH-YPMHNXCESA-N 314.411 -0.818 30 20 DBED C[C@@H]1CN(CCOCCO)C[C@H]1CNC(=O)CSCC#N 1101736187 RSNXTIQXOQPCGR-CHWSQXEVSA-N 315.439 -0.064 30 20 DBED CC(=O)NCC(=O)N1CC[C@@H](CN(C)c2nccnc2C#N)C1 1102424868 BXBFNPUTCHVCQP-LBPRGKRZSA-N 316.365 -0.231 30 20 DBED CN(C[C@@H]1CCN(C(=O)CNC(N)=O)C1)c1ccncc1C#N 1102428186 UEIWMULCQSTCSO-NSHDSACASA-N 316.365 -0.094 30 20 DBED CC[C@H](CNC(=O)[C@H]1CNC(=O)N1)Nc1nccnc1C#N 1103277599 LLLWJJYZQNCVRL-PSASIEDQSA-N 303.326 -0.664 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H](C)CNc1ccc2nnnn2n1 1104090115 VZXZEAWPHZBBGV-QWRGUYRKSA-N 317.353 -0.278 30 20 DBED C=C(C)CNCc1cn(C2CN(C(=O)[C@@H](C)NC(C)=O)C2)nn1 1105146438 DXSKTLVCLWTDKP-LLVKDONJSA-N 320.397 -0.148 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(n2cc(CNCCO)nn2)C1 1105330188 UGOUQKKHVHWMQI-KGLIPLIRSA-N 321.381 -0.666 30 20 DBED CN(CCN(C)c1cncc(C#N)n1)C(=O)CCc1cnn[nH]1 1105568987 HQFBJFKTWWNNCC-UHFFFAOYSA-N 314.353 -0.006 30 20 DBED N#Cc1cnc(NC[C@H](O)CNC(=O)c2cc[n+]([O-])cc2)cn1 1105715663 ZKWDWSOUWRBKJX-LBPRGKRZSA-N 314.305 -0.816 30 20 DBED N#Cc1nc(=NC[C@@H](O)CNC(=O)c2cc(Cl)c[nH]2)cc[nH]1 1105719400 KAWDHGBOSNOTBG-SECBINFHSA-N 320.740 -0.046 30 20 DBED CN1CCO[C@H](C(=O)NC[C@H](O)CNc2ccc(C#N)nc2)C1 1105768817 ASUAXAVKKMSVFU-KGLIPLIRSA-N 319.365 -0.827 30 20 DBED CC(C)(C)C#CC(=O)NC[C@H](O)CNc1nccn2nnnc12 1105825392 DNVWYBXBSYOEIC-JTQLQIEISA-N 317.353 -0.542 30 20 DBED N#Cc1cncc(NC[C@@H](O)CNC(=O)Cc2ccc[nH]2)n1 1105863466 KXWRRYBFBLMYLJ-GFCCVEGCSA-N 300.322 -0.192 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)[C@H]2CCCC(=O)N2)cn1 1105996994 FZVOWEMYGMMBLS-QWHCGFSZSA-N 317.349 -0.489 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)Cn2cnnc2O)C[C@H]1C 1106028359 UNIZEVCZWKWSGN-CHWSQXEVSA-N 321.381 -0.682 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)Cc2cnoc2)nn1 1106070581 WQPVAEWJAIOCPQ-NSHDSACASA-N 302.294 -0.532 30 20 DBED N#Cc1nc(=NC[C@@H](O)CNC(=O)CC2=CCOCC2)cc[nH]1 1106078350 AMKHXZMAALBFEL-GFCCVEGCSA-N 317.349 -0.604 30 20 DBED C[C@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)[C@@H](C)n1cncn1 1106278458 VYMJOQAYPNICQH-GHMZBOCLSA-N 314.353 -0.070 30 20 DBED C=CCCC(=O)NCc1cn(C2CN([C@H](C)C(N)=O)C2)nn1 1107138628 HXIDAXSTQIFKBU-SNVBAGLBSA-N 306.370 -0.409 30 20 DBED Cc1nc(CC(=O)N[C@H](C)CNc2nccnc2C#N)n[nH]1 1107721704 PFJYBGGDXLBCFO-MRVPVSSYSA-N 300.326 -0.066 30 20 DBED Cc1nc(CC(=O)N[C@H](C)CNc2cncc(C#N)n2)n[nH]1 1107729689 HEACTPSPVOOVQI-MRVPVSSYSA-N 300.326 -0.066 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)CN2CCCNC2=O)C1 1108049125 INBAJPRKSNFQNX-OAHLLOKOSA-N 308.382 -0.758 30 20 DBED C=CCCCC(=O)N1CCN(CCO)[C@H]2CS(=O)(=O)C[C@H]21 1108481691 BONQNUIVZKQTKZ-QWHCGFSZSA-N 316.423 -0.355 30 20 DBED N#CCN1CC(N2C[C@@H](NC(=O)CC[C@H]3CCOC3)CC2=O)C1 1108533805 CRCCKVPYHAJCOA-STQMWFEESA-N 320.393 -0.272 30 20 DBED Cc1cc(C#N)nc(N(C)C[C@H](C)NC(=O)[C@@H]2CCC(=O)N2)n1 1109027737 WWPLOESDEPWJEI-JQWIXIFHSA-N 316.365 -0.124 30 20 DBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cc1ccon1 1109102930 GNUDEDNKWMSEKV-AGIUHOORSA-N 317.349 -0.422 30 20 DBED C[C@@H](CN(C)c1cnc(C#N)cn1)NC(=O)[C@@H]1CN(C)C(=O)N1 1109193129 AICMJTYZRZDFPB-ONGXEEELSA-N 317.353 -0.687 30 20 DBED Cc1cc(C#N)nc(N(C)C[C@H](C)NC(=O)C2(C(N)=O)CC2)n1 1109217276 NKWNYPXJXIUGFV-JTQLQIEISA-N 316.365 -0.137 30 20 DBED CC(=O)N[C@H](C)C(=O)NCC1(N=c2cc[nH]cc2C#N)CC1 1110056237 MLXIQEJTZFDTPO-SNVBAGLBSA-N 301.350 -0.040 30 20 DBED C[C@@]1(C(=O)NCC2(Nc3ccc(C#N)nn3)CC2)CCNC1=O 1110344667 RCHJKTDGWCJSAP-CQSZACIVSA-N 314.349 -0.065 30 20 DBED CN1C[C@@H](C(=O)NCC2(Nc3cncc(C#N)n3)CC2)CC1=O 1110381082 TWKOJMDSDZKBTL-JTQLQIEISA-N 314.349 -0.113 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1cnon1 1110465570 JHVBCSHSAACXHT-UPJWGTAASA-N 317.349 -0.569 30 20 DBED C[C@@H]1C[C@H](Nc2nccnc2C#N)CCN1C(=O)CNC(N)=O 1110507819 RPXFVVIPVCPEKB-NXEZZACHSA-N 317.353 -0.192 30 20 DBED C[C@]1(NC(=O)Cn2cnnn2)CCN(c2ncccc2C#N)C1 1110711484 ZOLNNDDWOPOFNM-AWEZNQCLSA-N 312.337 -0.275 30 20 DBED CCOCCC(=O)N(CCO)CCN=c1cc[nH]c(C#N)n1 1111437328 VHLNLDHEJAHSSL-UHFFFAOYSA-N 307.354 -0.570 30 20 DBED C=C[C@@](C)(O)CC(=O)N(CCO)CCN=c1cc[nH]c(C#N)n1 1111467170 ZHIYQBDSXGWRRR-OAHLLOKOSA-N 319.365 -0.670 30 20 DBED CN(CCCN(C)c1cnc(C#N)cn1)C(=O)c1nnn(C)n1 1112156541 PKSYLEIBVQASAD-UHFFFAOYSA-N 315.341 -0.530 30 20 DBED COC(=O)NCC(=O)N1C[C@H](C)[C@@H](Nc2nccnc2C#N)C1 1112298099 ODANUAGFLKKHMJ-ONGXEEELSA-N 318.337 -0.037 30 20 DBED COCC#CCN1CCN(C(=O)c2cn(C)nc2OC)CC1 1113184796 YFVHBIXQPNDOPC-UHFFFAOYSA-N 306.366 -0.164 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)c2c(C)cnn2C)CC1 1113214206 NWCNNGRSHDNLRM-UHFFFAOYSA-N 305.382 -0.211 30 20 DBED CCc1c(C(=O)N2CCN(CC(=O)NCC#N)CC2)ccn1C 1113345898 JEHNBQSPORNJMH-UHFFFAOYSA-N 317.393 -0.015 30 20 DBED C[C@H](CNC(=O)CCn1ccnn1)N(C)c1nccnc1C#N 1113579938 YLBUNLJUBSJIMS-LLVKDONJSA-N 314.353 -0.029 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H](C)N(C)c1ccc2nnnn2n1 1113724592 DURGJGXLQJUUHU-QWRGUYRKSA-N 317.353 -0.502 30 20 DBED Cc1cc(C#N)nc(N(C)[C@@H](C)CNC(=O)[C@H]2C[C@H]2C(N)=O)n1 1113882335 UJAZZNCMSAALJY-WCQGTBRESA-N 316.365 -0.281 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)COCC3CC3)[C@H]2C1 1113924756 JIAVHNXNYGKVLF-UYHMYPTGSA-N 319.405 -0.403 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)CCSCC)[C@@H]2C1 1113942360 MTRLCAYZPVSYSH-VXGBXAGGSA-N 309.435 -0.075 30 20 DBED C[C@](O)(CC(=O)NC1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]12)C1CC1 1114149226 RGDZPBRSYOYDAK-HSMVNMDESA-N 320.393 -0.776 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)c3ncn(C)n3)[C@H]2C1 1114223475 GTIVNTYKQCTJTO-WYUUTHIRSA-N 318.381 -0.834 30 20 DBED C#CCOCCC(=O)NC1[C@@H]2CN(Cc3nncn3C)C[C@@H]12 1114266588 SKXCKMLOLLFGEZ-VXGBXAGGSA-N 303.366 -0.599 30 20 DBED N#Cc1cnccc1N1C[C@@H]2C(CNC(=O)CNC(N)=O)[C@H]2C1 1114500278 GKSSUIHHLKTBOW-VXGBXAGGSA-N 314.349 -0.580 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)C(=O)NCC(F)F)[C@@H]2C1 1114506839 BVRBSMDYLHKCDK-NXEZZACHSA-N 315.320 -0.936 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)C[C@H]3CCCC(=O)N3)[C@H]2C1 1114540686 VSTQFORWTFRSRZ-WVZRYYJFSA-N 319.405 -0.259 30 20 DBED C=CCS(=O)(=O)CCNC(=O)[C@H]1CCCN(C(N)=O)C1 1116536690 GHEHTQMAZYWLOO-JTQLQIEISA-N 303.384 -0.506 30 20 DBED C=CCSCCNC(=O)C(=O)N1CCN(C(=O)OC)CC1 1117147623 UAFGNTFKLHXITG-UHFFFAOYSA-N 315.395 -0.068 30 20 DBED COC[C@@](C)(C#N)NC(=O)c1cc(S(N)(=O)=O)cnc1C 1118374497 RZOYGAJTEANTMW-GFCCVEGCSA-N 312.351 -0.304 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCC(C(=O)OC(C)C)CC1 1119472880 GWHGQBCUPTVHIC-UHFFFAOYSA-N 324.377 -0.057 30 20 DBED COCc1nc(N[C@H](CO)CNC(=O)[C@@H](C)C#N)cc(OC)n1 1121214089 WNEVLNBHKFWURI-UWVGGRQHSA-N 323.353 -0.320 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@H](CO)Nc1cc(COC)ncn1 1121405911 QSDLDLNYQMMUJK-DOMZBBRYSA-N 324.381 -0.161 30 20 DBED CCn1ccnc1C(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1 1121412788 UZYYFDFGZFVWIW-SNVBAGLBSA-N 315.337 -0.811 30 20 DBED CCN(CC)CC(=O)NC[C@H](CO)Nc1nccnc1C#N 1121660190 WHIDBJCADOJRDN-LLVKDONJSA-N 306.370 -0.421 30 20 DBED CN1C[C@H](C(=O)NC[C@H](CO)Nc2ccc(C#N)cn2)CC1=O 1122716585 ASTAXXNKBYNTQB-VXGBXAGGSA-N 317.349 -0.679 30 20 DBED C[C@H]1C[C@H](N=c2cc[nH]c(C#N)n2)CN1C(=O)CC(=O)N(C)C 1123333103 YKCZKJCKWJFERB-QWRGUYRKSA-N 316.365 -0.350 30 20 DBED C=CCOCCCC(=O)NCCNCC(=O)NCCOCC 1125247836 JDIIGMHNWRZQTE-UHFFFAOYSA-N 315.414 -0.172 30 20 DBED C#CCO[C@@H](C)C(=O)NCCNCCCS(=O)(=O)C(C)C 1127051284 FIFZEOHOPWUICM-ZDUSSCGKSA-N 318.439 -0.056 30 20 DBED C#CCNC(=O)CNCCNC(=O)C[C@@H](C)n1ccnc1CC 1127679067 GWEMQYDVMUSYLE-CYBMUJFWSA-N 319.409 -0.148 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CCc2nnc(CNCCCO)n2CC1 1127963976 CSTPWSMJYPUKNK-NEPJUHHUSA-N 320.397 -0.269 30 20 DBED N#CCNCc1nnc2n1CC[C@H](NC(=O)c1nc[nH]n1)CC2 1128053909 HOCPGGMTBMUURZ-SECBINFHSA-N 315.341 -0.856 30 20 DBED N#CCNC(=O)CNCCNC(=O)[C@H]1CC[C@H]2CCCCN21 1130192659 QMBJMMOHRMXVSP-CHWSQXEVSA-N 307.398 -0.651 30 20 DBED C=CCOCC(=O)N1C[C@@H](C)O[C@@]2(CCN(CC(N)=O)C2)C1 1131645588 HOTJNLJEXOQLIR-IUODEOHRSA-N 311.382 -0.634 30 20 DBED C=CCOCCNCCNC(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1 1133783592 JIEWUYUUBRONHL-OLZOCXBDSA-N 313.398 -0.469 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)CCc2cnccn2)C1=O 1146727063 CGQPPMAIOORYAP-AWEZNQCLSA-N 317.393 -0.098 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)c1nocc1C 1146849248 MTZVVRCZUXLNCK-SNVBAGLBSA-N 323.353 -0.297 30 20 DBED CCOCCC(=O)N1CC2(CCN(CC(=O)NCC#N)C2)C1 1147183044 ZDANVEBJBOLDQK-UHFFFAOYSA-N 308.382 -0.413 30 20 DBED C#CCN1CCC2(C1)CN(C(=O)COCc1nncn1C)C2 1148524964 ZCBVAFGSOYJGFD-UHFFFAOYSA-N 303.366 -0.501 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCCO[C@@H](CNC(=O)COC)C1 1148951817 WRUYCYNMULUTDN-OLZOCXBDSA-N 313.398 -0.469 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)[C@H](CC(C)C)C(N)=O)C1 1150831303 LHWTUPCKKVQAFV-ZIAGYGMSSA-N 309.410 -0.026 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)c1nnn(C)c1C 1152533410 FNSFZYFSHBRGFJ-LLVKDONJSA-N 320.397 -0.687 30 20 DBED C=CCOCC(=O)NCCCNCc1nnc2n1CCOC2 1155724927 IPIIXEKUWLSFHZ-UHFFFAOYSA-N 309.370 -0.393 30 20 DBED CCN(CCC#N)C(=O)CNCCCNC(=O)Cc1cc[nH]n1 1156081632 MLOIWDPSEHOSKR-UHFFFAOYSA-N 320.397 -0.190 30 20 DBED C#CCNCCN(CCc1ccccc1)C(=O)Cn1ncnn1 1162810620 NTDDRSGTVBHDHO-UHFFFAOYSA-N 312.377 -0.033 30 20 DBED C=CCNC(=O)NC(=O)CNCCCNC(=O)CCCF 1164064912 WDCGFMOQDWJVPQ-UHFFFAOYSA-N 302.350 -0.156 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)c1cc(C(N)=O)co1 1166479634 UXXZHDABSXNKIJ-SNVBAGLBSA-N 322.365 -0.221 30 20 DBED N#CCNC(=O)CNCCCNC(=O)CCNC(=O)C1CCC1 1168198356 KKJUTZCXVXCSRR-UHFFFAOYSA-N 323.397 -0.972 30 20 DBED C#CCNC(=O)CNCCCC[C@@H](C)NC(=O)[C@@H](C)NC(C)=O 1168992104 JGZBONNUUVUJJE-CHWSQXEVSA-N 324.425 -0.475 30 20 DBED CC#CCN1CCO[C@H]2CCN(C(=O)C3(C(=O)NC)CC3)C[C@@H]21 1177113798 YTOCWHPXYUVGCV-KBPBESRZSA-N 319.405 -0.162 30 20 DBED C[C@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)C[C@@H]1CCOC1 1178401707 YTWYVQMYTKQPBT-AVGNSLFASA-N 308.382 -0.368 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2nccc(C)n2)[C@H]1C 1178577242 UGFGIMGUIMGAOE-STQMWFEESA-N 315.377 -0.273 30 20 DBED C[C@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)[C@H]1OCC[C@H]1C 1179557057 BIGRLPOJQXUZMN-UHXUPSOCSA-N 308.382 -0.370 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)CN2CCCC2)[C@H]1C 1180136093 PXWWTOAXYZBQIT-KBPBESRZSA-N 308.426 -0.037 30 20 DBED C=CCOCCN[C@H]1CCN(C(=O)CS(=O)(=O)NC)[C@H]1C 1180152986 VCIXUCYFVFAFLA-RYUDHWBXSA-N 319.427 -0.683 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)c2nonc2C)[C@H]1C 1180288239 VKHZIDCCLSXVPV-SRVKXCTJSA-N 319.365 -0.291 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](NCCN2C(=O)CCC2=O)C1 1182467239 YTDJSOZUIXVYTC-CYBMUJFWSA-N 321.377 -0.634 30 20 DBED C=CCOCCN[C@@H]1CCN(C(=O)CCNC(=O)COC)C1 1183032153 BNEPPSZAOGTVQP-CYBMUJFWSA-N 313.398 -0.468 30 20 DBED CNC(=O)CC(=O)N1CC[C@H](CNCC#CCOC)[C@H](C)C1 1184259892 BICVJQCJUNCIIR-ZIAGYGMSSA-N 309.410 -0.154 30 20 DBED CC#CCN[C@@H]1CCCO[C@@H]1C1CCN(C(=O)C(N)=O)CC1 1186137278 UNXOLRBURVTANV-ZIAGYGMSSA-N 307.394 -0.129 30 20 DBED C=C(C)CCN(C)[C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 1190246929 HTTCKDDRTODBMU-GFCCVEGCSA-N 320.397 -0.124 30 20 DBED CC[C@H](C(=O)N1CC[C@H](N(C)CC(=O)NCC#N)C1)N(C)C 1190889445 KYMUONUJILQXEK-QWHCGFSZSA-N 309.414 -0.501 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)CSC)C1 1190913712 JQPWTQWNFREBRS-GMTAPVOTSA-N 301.412 -0.799 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@@H]1CCN(C(=O)c2[nH]nnc2C)C1 1191675294 VGACRNYSILRVKX-VXGBXAGGSA-N 318.381 -0.603 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(Cc2cnc(C)cn2)C[C@H]1O 1192540715 SACATCHOUOVDIY-FMKPAKJESA-N 320.393 -0.227 30 20 DBED CCC(CC)NC(=O)CN1C[C@@H](O)[C@H](NC(=O)C#CC2CC2)C1 1192826206 DEKUEHRQKMAJMU-HUUCEWRRSA-N 321.421 -0.134 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)CCn2cnccc2=O)C1 1197334412 RGRMZECCUWBUJY-CHWSQXEVSA-N 306.366 -0.629 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CCN(C(=O)c2cn(C)nn2)CC1 1200371035 IHCSFTUCZJNTJZ-LLVKDONJSA-N 318.381 -0.853 30 20 DBED N#CCNC[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)C2)CCCO1 1200912181 QMQWOMKFUDDFBV-NWDGAFQWSA-N 315.395 -0.848 30 20 DBED CC(=O)N[C@@H](C(=O)N1CCCO[C@@H](CNCC#N)C1)C(C)C 1201901356 RCVZVHWOSULNHG-UONOGXRCSA-N 310.398 -0.122 30 20 DBED C[C@@H]1CN([C@H]2CCCNC2=O)C[C@H]1NC(=O)CSCC#N 1206089756 FWYOBYAZKZFZGD-UTUOFQBUSA-N 310.423 -0.042 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H](NCCN(C)S(C)(=O)=O)C1 1207689521 ZWEIWZBWVMQZBV-RYUDHWBXSA-N 316.427 -0.382 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)C(=O)C(C)(C)C)C1 1207698812 YIXCFLCBLVTUGL-LBPRGKRZSA-N 307.394 -0.068 30 20 DBED COCC#CCN[C@@H]1CCCN(C(=O)C2CS(=O)(=O)C2)C1 1208180941 VNFZKQULNBVJJN-CYBMUJFWSA-N 314.407 -0.739 30 20 DBED C#CCCN[C@@H]1CCCN(C(=O)CCNS(C)(=O)=O)C1 1208272267 ZWRSKULLEADONX-GFCCVEGCSA-N 301.412 -0.470 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)[C@@]2(C)CCNC2=O)[C@H](C)C1 1208575372 OWKZIUUSDCLHDR-HSMVNMDESA-N 322.409 -0.749 30 20 DBED CO[C@@H]1CN(Cc2ncnn2C)C[C@H]1NC(=O)C#CC1CC1 1212246484 UNZCXNYHMNAJCC-CHWSQXEVSA-N 303.366 -0.456 30 20 DBED C=CCN1C[C@@H](NC(=O)C(C)(C)NS(C)(=O)=O)[C@H](OC)C1 1213545156 JAKWSUSRSUCOOG-GHMZBOCLSA-N 319.427 -0.684 30 20 DBED C#CCCN[C@@H]1CN(C(=O)CS(=O)(=O)CCOC)C[C@H]1C 1214984581 UHKLZLOYILCYCO-CHWSQXEVSA-N 316.423 -0.493 30 20 DBED C=C(C)CCN[C@@H]1CN(C(=O)CNS(=O)(=O)NC)C[C@H]1C 1215234095 CDFMGIBOWOIGMB-VXGBXAGGSA-N 318.443 -0.557 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)CCn2ccnc2)C[C@H]1C 1215269183 PPDNRVBVMHAHJB-ZIAGYGMSSA-N 317.393 -0.541 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)Cn2ccc(C)n2)C[C@H]1C 1215579604 QFCWSCGBHAHPDT-TZMCWYRMSA-N 319.409 -0.070 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)C2(C(=O)NC)CC2)C[C@H]1C 1215911360 KIFSRQPDBURYNN-VXGBXAGGSA-N 322.409 -0.749 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)CC[C@@H]2CCCN2C)C1 1219830005 LADUVBAZNQSUKF-XHSDSOJGSA-N 323.437 -0.328 30 20 DBED C=CCCCN1C[C@H](O)[C@H](NC(=O)c2cn(C)c(=O)cn2)C1 1220040795 HMPACKQSYGQSFY-YPMHNXCESA-N 306.366 -0.479 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)CC2=CCOCC2)C1 1220280954 ZYDAPXSPIXCOEA-KGLIPLIRSA-N 323.393 -0.813 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](NC(=O)C2(C(=O)N(C)C)CC2)C1 1220733927 RTPMOBOHAIYUBW-OLZOCXBDSA-N 309.410 -0.018 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(Cc2cnnn2CC)C[C@@H]1O 1221139620 GMXYYBNYTBFKNH-KGLIPLIRSA-N 323.397 -0.448 30 20 DBED COCC#CCN1CC[C@@H]2CN(C(=O)c3ccc(O)nn3)[C@@H]2C1 1221242413 SKIWKDIPABTIAY-TZMCWYRMSA-N 316.361 -0.022 30 20 DBED C=CCOCC(=O)N1CC[C@H]2CCN(CC(=O)NC(N)=O)[C@H]2C1 1222448283 PHDIYAWTWUVOEF-NEPJUHHUSA-N 324.381 -0.693 30 20 DBED COCC#CCN1CCC(CNC(=O)CCNC(N)=O)CC1 1225386136 UKGVWXMMLVYUOG-UHFFFAOYSA-N 310.398 -0.477 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)[C@H]2C[C@H]2OCC)CC1 1226227826 BLICDSMIYRWWGG-UONOGXRCSA-N 307.394 -0.259 30 20 DBED C#CCN[C@@H]1CCCC[C@H]1NC(=O)CCS(=O)(=O)N(C)C 1230235107 SGCYSASQQIACGN-CHWSQXEVSA-N 315.439 -0.082 30 20 DBED C=CCNC(=O)[C@H](C)N1CC[C@@H]1CN(C)C(=O)CN(C)C(C)=O 1230829047 HQQXSXYNGUIQAO-GXTWGEPZSA-N 324.425 -0.312 30 20 DBED CN(C[C@H]1CCN1CC(=O)NCC#N)C(=O)c1ccc(C#N)[nH]1 1233681720 BKHUVNZHCDUSIQ-GFCCVEGCSA-N 314.349 -0.328 30 20 DBED C#CCC[C@H](O)CNC(=O)c1ccc(CNS(C)(=O)=O)o1 1256534229 XSALWDJKRAJCRS-JTQLQIEISA-N 314.363 -0.167 30 20 DBED N#C[C@@]1(F)CCN(C(=O)C(=O)N2CC(OCC(F)F)C2)C1 1261872677 WXFWNJIZEMTWHF-LBPRGKRZSA-N 305.256 -0.057 30 20 DBED C#C[C@H](NC(=O)C(=O)NCCCn1cncn1)[C@@H]1CCCO1 1261921942 JYJNTRKKMAFFGJ-RYUDHWBXSA-N 305.338 -0.919 30 20 DBED Cc1cc(NC(=O)C(=O)N2CC[C@](F)(CO)C2)nn1CCC#N 1321475213 XVSCYRWIPXFWFF-CQSZACIVSA-N 323.328 -0.023 30 20 DBED COC(=O)c1csc(NC(=O)C(=O)NCC(=O)NCC#N)c1 1323121924 SHGDKLIYBZCAAC-UHFFFAOYSA-N 324.318 -0.771 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)NCC1(CS(C)(=O)=O)CC1 1323574523 HQHLSELBIPGLFZ-UHFFFAOYSA-N 324.402 -0.588 30 20 DBED C#C[C@@H](NC(=O)C(=O)N1C[C@@H]2CCC[C@]2(CN)C1)[C@@H]1CCCO1 1326548530 CILRQJJZTRLRMW-LOUJCGABSA-N 319.405 -0.129 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)C(=O)N2CCCC[C@@H]2CCO)C1 1327023497 WVOIIEBUZBYSHA-IUODEOHRSA-N 309.366 -0.373 30 20 DBED CN(C)C(=O)NCCN(C)C(=O)C(=O)Nc1cccc(C#N)n1 1329300035 NLHQXKLTNOURDC-UHFFFAOYSA-N 318.337 -0.379 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)NCc1cn(CC)nn1 1329794036 AITYBIBGYJXKMU-UHFFFAOYSA-N 307.354 -0.588 30 20 DBED CCS(=O)(=O)N[C@H](C)C(=O)NC1(C#N)CCN(C)CC1 1330821150 AJVHEDGXWURLMO-SNVBAGLBSA-N 302.400 -0.582 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)C(=O)N2CC[C@@H](N3CC=CC3)C2)C1 1332387068 SNUNAWVCOOMUSE-CZUORRHYSA-N 318.377 -0.664 30 20 DBED N#CCC1(CNC(=O)C(=O)N2CC(N3CCCC3=O)C2)CC1 1334291159 TUNKLHMAEVCWFN-UHFFFAOYSA-N 304.350 -0.370 30 20 DBED COC[C@@](C)(C#N)NC(=O)Cc1ccc(S(N)(=O)=O)cc1 1340750267 FPOZVYUPGXMQLU-CYBMUJFWSA-N 311.363 -0.079 30 20 DBED CN(CC(C)(CO)CO)C(=O)C(=O)Nc1cccc(C#N)n1 1345813776 XMGORYPOGRLQSA-UHFFFAOYSA-N 306.322 -0.659 30 20 DBED C=CCN(C(=O)[C@H]1CNCCN1C)[C@H]1CCS(=O)(=O)C1 1357203598 BZYYHQOSQZRVAQ-NWDGAFQWSA-N 301.412 -0.908 30 20 DBED N#Cc1cnn2c(O)cc(CN3CC[C@H](O)[C@H](CO)C3)nc12 1365309836 GLUJEBQFNPAEDP-JQWIXIFHSA-N 303.322 -0.518 30 20 DBED CNC(=O)NC(=O)[C@@H](C)N(C)CCNC(=O)c1cc(C#N)c[nH]1 1366523137 WNGGNQKJSUJYQY-SECBINFHSA-N 320.353 -0.608 30 20 DBED N#Cc1ncn(CCNC(=O)NCC[C@H](O)C(F)(F)F)n1 1369787607 YPLQEWRSUKOIAD-ZETCQYMHSA-N 306.248 -0.238 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CCCN1C(=O)c1nccnc1N 1374056175 SNANMOZARWUDLA-VHSXEESVSA-N 302.338 -0.061 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CC[C@H](CNCC(=O)NC(N)=O)CC1 1376377314 CKDPZLKZOSKGSW-SRVKXCTJSA-N 323.397 -0.147 30 20 DBED CCN(CCC#N)C(=O)CNC[C@@H](C)NC(=O)c1ncccn1 1379438047 UKGOUQUVEFZIIC-GFCCVEGCSA-N 318.381 -0.053 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]1CNC(=O)COCc1nncn1C 1400485271 NYOMCPRQJCKBLK-QWRGUYRKSA-N 320.353 -0.792 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)CC1CCN(C)CC1 1410124582 WQKUXFLMUAUPEC-WCQYABFASA-N 310.398 -0.529 30 20 DBED CC1(C)C[C@](C)(NC(=O)NCCn2cnc(C#N)n2)C(=O)O1 1427471611 OZSZVMIKHPXJPN-ZDUSSCGKSA-N 306.326 -0.067 30 20 DBED COCCN(CCNC(=O)c1cc(C#N)c[nH]1)C(=O)COC 1428397942 JMOWSMPWCYXINC-UHFFFAOYSA-N 308.338 -0.262 30 20 DBED C[C@@H](C#N)C(=O)NC1CN(C(=O)[C@@H]2CCCN2C(=O)C2CC2)C1 1430286733 CNMNZCSFRPJEDX-GWCFXTLKSA-N 318.377 -0.126 30 20 DBED CC(C)[C@H](CNC(=O)CN1CCCNC1=O)NC(=O)[C@@H](C)C#N 1433107045 POVKTOKGGBGUJI-RYUDHWBXSA-N 323.397 -0.182 30 20 DBED N#Cc1cn(CC(=O)N2CCN(C3CCC3)CC2)c(=O)nc1O 1443942724 XYRFBECTKMCGGB-UHFFFAOYSA-N 317.349 -0.483 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C[C@@H](O)CC(F)(F)F)C1 1446827645 HKVNRZUCABORQA-BDAKNGLRSA-N 309.288 -0.378 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](C)CNC(=O)c1ccc2nn[nH]c2n1 1451607820 OFGNNDATEGKQPN-BDAKNGLRSA-N 315.337 -0.005 30 20 DBED C#CCNC(=O)CNC[C@H]1CCCCN1C(=O)CNC(=O)OC 1480340396 XSUDMDFSMRWCCC-GFCCVEGCSA-N 324.381 -0.938 30 20 DBED CC[C@H](C(=O)NC1CN(C(=O)[C@@H](C)C#N)C1)N1CCCC1=O 1498195449 LPJFREKPUHSWDS-CMPLNLGQSA-N 306.366 -0.126 30 20 DBED C[C@@H](C#N)C(=O)NCCC1CCN(C(=O)[C@@H]2COC(=O)N2)CC1 1499768855 BNELIKJCYGZBAC-JQWIXIFHSA-N 322.365 -0.001 30 20 DBED C#Cc1ccc(C(=O)NC[C@H](C)NC(=O)CNC(=O)O)cn1 1573311949 KXASNJSBHDIWHI-VIFPVBQESA-N 304.306 -0.435 30 20 DBED C[C@@H](CNC(=O)[C@@H](C)OCc1cnn[nH]1)NC(=O)C#CC1CC1 1575880396 SWLUPZKQSPNKTB-WDEREUQCSA-N 319.365 -0.256 30 20 DBED CN(CCOCCNCC#N)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 1591113160 WTFHVCZKAIVGDA-UHFFFAOYSA-N 318.341 -0.603 30 20 DBED N#CC1(C[C@@H](O)CN2CCS(=O)(=O)C[C@H]2C(=O)O)CCC1 1594603881 KBIOINSAYKTMNP-MNOVXSKESA-N 316.379 -0.385 30 20 DBED C#C[C@@H]1CCCCN1C(=O)C(=O)NC[C@H]1CCO[C@H]1C(=O)O 1602676896 LZRZDPXNGYXEBY-IJLUTSLNSA-N 308.334 -0.393 30 20 DBED C[C@@](Cn1cccn1)(NS(=O)(=O)CCCC#N)C(=O)O 1604243885 IPODTMBGSVFMQR-NSHDSACASA-N 300.340 -0.050 30 20 DBED N#CCN1CCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)o2)CC1 1606350129 QQZDROIJWCHGEY-UHFFFAOYSA-N 323.338 -0.710 30 20 DBED O=C(O)[C@H]1C[C@@H](O)CN(C(=O)c2cccc(C#CCO)c2)C1 1608602691 VPVFFDMRHOPWCY-UONOGXRCSA-N 303.314 -0.062 30 20 DBED C[C@H](C(=O)N1CCSC[C@@H]1C#N)n1cnc(-c2nn[nH]n2)n1 1609068623 KRBHADRXGZVTAR-SFYZADRCSA-N 319.354 -0.513 30 20 DBED CCO[C@@H]1C[C@H](O)C12CCN(C(=O)Cn1cnc(C#N)n1)CC2 1649725645 WIDOJIFMDXOADL-NWDGAFQWSA-N 319.365 -0.072 30 20 DBED CC[C@@H]1CN(c2nnc(Cn3cnc(C#N)n3)n2C)CCO1 1650265737 YFLBYWLPCLZMMI-SNVBAGLBSA-N 302.342 -0.058 30 20 DBED CN(CC#N)C[C@H]1CCCN(C(=O)CCn2ncn(C)c2=O)C1 1752513661 LEHSXEFNKQOPOT-CYBMUJFWSA-N 320.397 -0.334 30 20 DBED C#CCNC(=O)CN(C)CCNC(=O)c1ncoc1C1CC1 1753070288 ZRVPTYJUBVUWTB-UHFFFAOYSA-N 304.350 -0.037 30 20 DBED C#CCNC(=O)[C@@H](C)NCCN(C)C(=O)c1csc(O)n1 1753222220 RQQOZFHLIFEHHG-SECBINFHSA-N 310.379 -0.352 30 20 DBED C[C@H](CNCC(=O)NCC#N)N(C)C(=O)Cc1cncs1 1753697922 SOCRJALOEHZXHG-SNVBAGLBSA-N 309.395 -0.238 30 20 DBED C#CCN[C@@H](CNC(=O)Cn1ncn2nccc2c1=O)C(C)C 1753838390 APSDDFWQMWBNIL-LBPRGKRZSA-N 316.365 -0.745 30 20 DBED CC#CCNC[C@@H](O)CNC(=O)[C@H](C)NC(=O)C1CCCC1 1753919817 JEZLQAFQMGGPSB-GXTWGEPZSA-N 309.410 -0.229 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)N[C@@H](C)CNC[C@@H](C)O 1754296492 NSVHNNYCQHCDRC-WDEREUQCSA-N 300.403 -0.275 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H](C)CN(C)Cc1ncnn1C 1754313193 QBZMEKYOWVFZNJ-KBPBESRZSA-N 318.425 -0.151 30 20 DBED C#CCNC(=O)[C@H](C)N1CC(N(C)C(=O)[C@H]2CCCCN2C)C1 1754576918 DFGSIIGBABHEHZ-DZGCQCFKSA-N 320.437 -0.249 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCC1(O)CN(Cc2nnc(C)o2)C1 1754774692 WPVRVIBWOFNJRZ-NEPJUHHUSA-N 322.365 -0.368 30 20 DBED C#CCNC(=O)CNC1CCN(CCNC(=O)CC(C)C)CC1 1754847496 QTNCKTWBVNIJAG-UHFFFAOYSA-N 322.453 -0.048 30 20 DBED C#CCN[C@H]1CN(C(=O)CS(=O)(=O)N(CC)CC)C[C@H]1C 1755116576 QPSDHZSSCBNKDL-OLZOCXBDSA-N 315.439 -0.272 30 20 DBED C[C@@]1(CCC(=O)N2CCC(O)(CNCC#N)CC2)CCC(=O)N1 1755155488 BQISWMRISPGBIR-HNNXBMFYSA-N 322.409 -0.098 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@@H](C)CNC(=O)C1CN(C(C)=O)C1 1755295960 HJXMBBWDCOSQPU-NWDGAFQWSA-N 322.409 -0.961 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@H](C)N(C)CCN1CCNC1=O 1755298992 PNYCFAYIMKXRFC-IUODEOHRSA-N 312.414 -0.225 30 20 DBED C#CCN[C@H](CO)CNC(=O)c1c(O)nnc(CC)c1CC 1755630403 IUENPDQCLWPKJE-JTQLQIEISA-N 306.366 -0.380 30 20 DBED CCOc1cccc(CC(=O)N(C)C[C@H](O)CNCC#N)n1 1755784155 HYFJJBOODYEFAN-CYBMUJFWSA-N 306.366 -0.045 30 20 DBED CC(C)N(CCN(C)CC(=O)NCC#N)C(=O)CN1CCCC1 1755815638 QOMWYDWGGULIIZ-UHFFFAOYSA-N 323.441 -0.109 30 20 DBED C[C@H](NC(=O)[C@H](C)C#N)C1CN(C(=O)C(=O)NCC2CC2)C1 1756156536 PXQPEGYYWBKKRB-ZJUUUORDSA-N 306.366 -0.365 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H](CNC(=O)CC(N)=O)C1CC1 1756424167 JWBIOQJUYZBOIG-UPJWGTAASA-N 323.393 -0.194 30 20 DBED Cn1ccnc1CCC(=O)NC[C@@H](CO)NC(=O)C#CC1CC1 1756540071 ISGACQIDEPZOJY-ZDUSSCGKSA-N 318.377 -0.641 30 20 DBED C#CCCCC(=O)N[C@@H]1CCN(C(=O)CNC(=O)NC)[C@H]1C 1756563824 ODFUKWTWKMDREZ-NWDGAFQWSA-N 308.382 -0.176 30 20 DBED C=CCCOCC(=O)N[C@H]1C[C@H](C)N(C(=O)Cn2ncnn2)C1 1756589775 ILVHKRLAFNLRCR-RYUDHWBXSA-N 322.369 -0.629 30 20 DBED C#CCOCCC(=O)N1C[C@H](O)[C@H](NC(=O)c2cc[nH]c2)C1 1757179922 ICELDFXTACSUEN-OLZOCXBDSA-N 305.334 -0.644 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)CN1CCCCC1)CCO2 1783049636 JOIHBDWGCBOUTI-KRWDZBQOSA-N 319.405 -0.065 30 20 DBED N#Cc1cc(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)O)ccc1F 71238398 RGKTYXCCZLQRAO-VIFPVBQESA-N 315.282 -0.696 30 20 DBED C[C@@H](CN1CCOCC1)NS(=O)(=O)c1cccnc1C#N 235123462 SYGXBQMKZZYISN-NSHDSACASA-N 310.379 -0.048 30 20 DBED C/N=C(/NCC1(CO)CCOCC1)N1CCO[C@@H](COC)C1 261648253 AULOJJZCTJWETE-CYBMUJFWSA-N 315.414 -0.302 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N1CCN(c2nccn2C)CC1 266892843 DJBYSFKVXNXKBR-GFCCVEGCSA-N 320.397 -0.058 30 20 DBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC(O)C1 268878228 HKHIFMYZPXTANP-VIFPVBQESA-N 309.347 -0.572 30 20 DBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[C@H](O)C1 268960521 ZZHTUJAHEAIGKG-PWSUYJOCSA-N 323.374 -0.182 30 20 DBED C=CCNC(=O)CNC(=O)CCN1C(=O)NC2(CCCC2)C1=O 272002494 WDLVAXNHASWVMJ-UHFFFAOYSA-N 322.365 -0.341 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCc2ccn(C)c2)C1=O 287512782 MAJCXKMAGDCHCB-CYBMUJFWSA-N 318.377 -0.113 30 20 DBED C#CCN(C)CCCNC(=O)C(=O)Nc1cn(C)nc1CC 293493177 WNZYSVHOSDULCO-UHFFFAOYSA-N 305.382 -0.008 30 20 DBED C#CCN(C)CCCNC(=O)NCCC(=O)N1CCN(C)CC1 297366749 IUGQXQNKMAKSFI-UHFFFAOYSA-N 323.441 -0.595 30 20 DBED C[C@@H]1C[C@H](N2CCOCC2)CN1/C(O)=N/[C@H]1CC(=O)N(C)C1 329225222 GARAYWUAVJCEQR-AGIUHOORSA-N 310.398 -0.074 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(S(=O)(=O)NC(C)C)CC1 330494499 VBDGVVOSHLNYTQ-LBPRGKRZSA-N 318.443 -0.463 30 20 DBED CCN(CC)[C@H]1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)C1 337100813 VPPKOHHPNNERAO-QWHCGFSZSA-N 316.427 -0.128 30 20 DBED CCN(CCC#N)S(=O)(=O)NC[C@@H]1CN(C2CC2)CCO1 337101875 WRMCTTXORVSWCE-CYBMUJFWSA-N 316.427 -0.080 30 20 DBED C[C@@H]1CS(=O)(=O)C[C@@H]1NS(=O)(=O)N(C)[C@H](C)CC#N 341932903 CIVHDXNWEJXSLB-BBBLOLIVSA-N 309.413 -0.512 30 20 DBED CN(CC(=O)N1CCSC[C@H]1C#N)[C@@H]1CCS(=O)(=O)C1 342407388 KARIBQUJKSFSFT-GHMZBOCLSA-N 317.436 -0.427 30 20 DBED C=CCNC(=O)CNC(=O)c1coc(S(=O)(=O)N(C)C)c1 347889499 FPURYJWMBHSGHR-UHFFFAOYSA-N 315.351 -0.438 30 20 DBED C=C[C@H](CO)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N 354560689 DZZYWBADOPXZOU-SNVBAGLBSA-N 305.338 0.111 30 20 DBED C=CCN(CCOC)C(=O)c1cc(S(N)(=O)=O)cn1C 355199980 RKUDAYNAGZAJKQ-UHFFFAOYSA-N 301.368 -0.053 30 20 DBED CSC1(CNC(=O)NCC(=O)NCC#N)CCN(C)CC1 358418214 XZGVQGPQPLPMKP-UHFFFAOYSA-N 313.427 -0.247 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCN[C@@H](C)C2)CC1 358866873 SAZXHAHOMSZGIV-UONOGXRCSA-N 308.426 -0.179 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CCO[C@@H]2C)CC1 362362449 MSUZWMNIBDWMMK-ZIAGYGMSSA-N 307.394 -0.305 30 20 DBED CCN(CCC#N)C(=O)CN1CCC[C@@H](S(=O)(=O)NC)C1 365278264 MPXZSYICXUWBOS-GFCCVEGCSA-N 316.427 -0.238 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)CCNC(=O)OC)CC1 369311256 VNKQDCZIDZLVAX-UHFFFAOYSA-N 324.381 -0.984 30 20 DBED C=CCN1CC[C@H](N2CCC[C@@H](N3CCNCC3=O)C2)C1=O 420304882 JIKRFNQIMIAFQZ-KGLIPLIRSA-N 306.410 -0.331 30 20 DBED COC(=O)[C@@H]1[C@@H](O)CCCN1C(=O)CNc1ccc(C#N)cn1 444443209 MIWNTUFQGMUVKB-FZMZJTMJSA-N 318.333 -0.110 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@](C)(CC)OC)C1=O 452731471 RVGAJABOIWXLMP-AWEZNQCLSA-N 311.338 -0.106 30 20 DBED C#CCN1CCC(C(=O)NCCN2CCN(C(C)=O)CC2)CC1 490574436 WMLRJLITKKSSNU-UHFFFAOYSA-N 320.437 -0.388 30 20 DBED C#CCN1CCN(C(=O)CSc2nnc(N)n2CC=C)CC1 490759330 CONSVSVJGHQYRQ-UHFFFAOYSA-N 320.422 -0.084 30 20 DBED Cc1cc(NC(=O)C(=O)N2CCC[C@@H](C(N)=O)C2)ncc1C#N 516490132 OEAYYBXGHXWWND-SNVBAGLBSA-N 315.333 -0.076 30 20 DBED CC[C@](C)(C#N)NC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 520507563 GVZGZTUAEXSUME-XJKSGUPXSA-N 322.409 -0.024 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1CC([C@H](C)C(=O)O)C1 571927306 VNWXXCKDUCGBCP-JTQLQIEISA-N 319.383 -0.254 30 20 DBED Cc1ncc(S(=O)(=O)NC[C@@H](O)[C@@H]2CCOC2)cc1C#N 574699408 NTONTLVPPBCLBM-ZWNOBZJWSA-N 311.363 -0.063 30 20 DBED C=C[C@@H]1OCCC[C@H]1Nc1nc2c(c(O)nc(=O)n2C)n1C 577033523 BSCXWWJXTDTYKJ-BDAKNGLRSA-N 305.338 0.518 30 20 DBED CC[C@](C)(C#N)C(=O)N1CCN(S(=O)(=O)N(C)C)CC1 586037144 SOUBJSCKZUJHNG-GFCCVEGCSA-N 302.400 -0.123 30 20 DBED C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)N1CCN(CCC#N)CC1 602204628 SHKQRSGDVYSSQG-DGCLKSJQSA-N 308.382 -0.680 30 20 DBED CC#CC[C@H](CO)NC(=O)c1cc(S(N)(=O)=O)ccc1O 616505132 HBYHLQBOAOZFLD-SECBINFHSA-N 312.347 -0.456 30 20 DBED C=C[C@H](Nc1ccn(CC(=O)N2CCOCC2)n1)C(=O)OC 619703180 XEAVDOJEBZNWKL-NSHDSACASA-N 308.338 -0.119 30 20 DBED O=C(NCC#CCO)[C@H]1CCC[C@H](C(=O)NCC#CCO)C1 670410290 FGESOVKIRQCZNY-KBPBESRZSA-N 306.362 -0.983 30 20 DBED C=CCN1CC[C@H](N2CCN(S(=O)(=O)N(C)C)CC2)C1=O 685000495 KWFYMSHVVBWJNG-LBPRGKRZSA-N 316.427 -0.803 30 20 DBED N#CCOc1ccc(CNC(=O)N2CCO[C@@H](C(N)=O)C2)cc1 727942107 VOFCTEUVDQEYBK-CYBMUJFWSA-N 318.333 -0.015 30 20 DBED C#C[C@H](NC(=O)[C@@H]1CCCN1S(C)(=O)=O)[C@@H]1CCCO1 775326339 DQRBPGANBPZIEU-SRVKXCTJSA-N 300.380 -0.293 30 20 DBED C#CCCS(=O)(=O)NC(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 791111645 VZICDIWVENJKQK-JOYOIKCWSA-N 316.404 -0.090 30 20 DBED CS(=O)(=O)NC(=O)CCNC(=O)c1ccc(C#N)s1 800549827 OXAYSQUIRQQZLO-UHFFFAOYSA-N 301.349 -0.185 30 20 DBED C#CCCCNC(=O)C(=O)N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 806909873 NZRUJMWQCAYFBW-WDEREUQCSA-N 302.396 -0.204 30 20 DBED C#CCCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)OCC 808308366 BSOLIYFYIUZXLI-UWVGGRQHSA-N 304.368 -0.615 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)c1ccc(C(=O)OC)n1C 815402204 AWGWWONGKWCHAH-UHFFFAOYSA-N 323.305 -0.020 30 20 DBED C#CCN(C)CCCNC(=O)N1C[C@@H](O)C[C@H](C(=O)OC)C1 827114558 MGOXMZKFYQYNRB-STQMWFEESA-N 311.382 -0.493 30 20 DBED CC#CC[C@H](CO)NS(=O)(=O)c1cc(C(=O)OC)n(C)c1 828395764 QAQSEAZMWJUSDO-SNVBAGLBSA-N 314.363 -0.136 30 20 DBED N[C@H]1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 832530260 RKRLQVSEQBVSSE-JTQLQIEISA-N 322.390 -0.325 30 20 DBED CN(C)S(=O)(=O)c1ccc(C(=O)N[C@@H]2CNC[C@H]2C#N)cc1 834511324 KMOCOOAMHDOEIM-DGCLKSJQSA-N 322.390 -0.222 30 20 DBED CNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CNC[C@H]2C#N)c1 834512651 ZSKWAESKBXRPBR-ZYHUDNBSSA-N 308.363 -0.564 30 20 DBED C#C[C@@H](C)NS(=O)(=O)CCCS(=O)(=O)N(C)[C@@H](C)C#N 848964509 AHQIRAWUPRXIKI-MNOVXSKESA-N 321.424 -0.509 30 20 DBED C#CC1(O)CN(C(=O)c2cccc(S(=O)(=O)N(C)OC)c2)C1 890519296 JQWLQLOOFVTPMV-UHFFFAOYSA-N 324.358 -0.311 30 20 DBED CN(C(=O)c1cnn(C)n1)[C@@H]1CCN(C(=O)C#CC2CC2)C1 937350307 SNIAKIJXLNLDKY-GFCCVEGCSA-N 301.350 -0.099 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCN(C(=O)[C@H](C)C#N)C2)nn1 937969651 OJZCUDRVLQJWRP-MNOVXSKESA-N 302.338 -0.046 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@@H]2CCC(=O)N2)C1 938373367 FOJBTVJFEMSTTG-RNJOBUHISA-N 321.377 -0.427 30 20 DBED CCN1CCOC[C@@H]1C(=O)N1CCCN(C(=O)[C@@H](C)C#N)CC1 941526090 AELXPODIBBKWHC-UONOGXRCSA-N 322.409 -0.072 30 20 DBED CO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)c1cnn[nH]1 942661758 RUJVVUOJWHCHEB-VXGBXAGGSA-N 303.322 -0.826 30 20 DBED C#CCCN1CC[C@H](NC(=O)CN2CC(=O)N(C)C2=O)C[C@H]1C 947924354 BPQWPJDJROFZKF-OLZOCXBDSA-N 320.393 -0.127 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@H]2CNC(=O)c2ncn(C)n2)nc1 949758942 JSJUDTSCKOGVQU-LBPRGKRZSA-N 324.344 -0.164 30 20 DBED COc1cncc(C(=O)NC[C@H]2CCN2C(=O)[C@@H](C)C#N)n1 949942428 QIEIBIDABWCZRK-VHSXEESVSA-N 303.322 -0.024 30 20 DBED C=CCCN1CCN(C(=O)Cn2ncn3nccc3c2=O)CC1 951165249 AXBCEACBGWJRHA-UHFFFAOYSA-N 316.365 -0.389 30 20 DBED N#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cccc3nn[nH]c23)C1 958092010 LETGQVOOBGBWQC-JOYOIKCWSA-N 300.322 -0.496 30 20 DBED COc1cnc(C(=O)NC[C@@H]2CN(CC#N)C[C@H]2O)c(F)c1 958127511 ZJLYMYKSSYZUAG-BXKDBHETSA-N 308.313 -0.225 30 20 DBED C#CCCN1C[C@@H](O)[C@H](CNC(=O)c2ccc(C(N)=O)cn2)C1 958744406 MQIGEGZOYCYNBA-TZMCWYRMSA-N 316.361 -0.774 30 20 DBED CC(C)(O)CC(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)C#CC1CC1 960365853 WFEZWQJHSGYAAG-UONOGXRCSA-N 320.389 -0.001 30 20 DBED CC#CCN1C[C@@H]2C(NC(=O)Cn3c(C)cc(C)nc3=O)[C@H]2C1 962159053 RYMZUSFHDBLHDY-KBPBESRZSA-N 314.389 -0.070 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CN(C(=O)c3cnnn3C)CCO2)C1 965373825 MCYQYBPLQSTCQJ-JTQLQIEISA-N 318.337 -0.972 30 20 DBED CCN(C(=O)[C@H]1CCNC1=O)C1CN(C(=O)C#CC2CC2)C1 968215600 RNIWEVMODGNFKD-ZDUSSCGKSA-N 303.362 -0.405 30 20 DBED CCN(C(=O)c1cnc(O)n1C)C1CN(C(=O)[C@@H](C)C#N)C1 968226302 LLEYXDPVNYAEKM-VIFPVBQESA-N 305.338 -0.042 30 20 DBED C#CCCN1CC[C@@H](C)[C@H](NC(=O)CN2CCC(=O)NC2=O)C1 968517566 PFSYDXFMDYGJOG-CHWSQXEVSA-N 320.393 -0.222 30 20 DBED CC#CCN1CC[C@@H](C)[C@@H](NC(=O)Cn2c(O)nnc2O)C1 968588967 OLCMHLVDIKHAAM-MNOVXSKESA-N 307.354 -0.461 30 20 DBED C#CCN[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 968645010 JVLRXDBAJHKYPS-NWDGAFQWSA-N 301.350 -0.414 30 20 DBED C=C1CC(C)(C(=O)N2C[C@H](O)[C@H](NC(=O)Cn3cncn3)C2)C1 970750583 WAXDEYNAIZONHY-NEPJUHHUSA-N 319.365 -0.678 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)Cc3nnc(C)o3)C2)C1 972371308 SXQVDRLTUDHOMN-OAHLLOKOSA-N 304.350 -0.143 30 20 DBED C#CCCN1CCO[C@@]2(CCN(C(=O)[C@@]3(C)CNC(=O)C3)C2)C1 972479877 DLTGDYVUKZXHIV-SJORKVTESA-N 319.405 -0.161 30 20 DBED C#CCN1C[C@H](NC(=O)c2cn(C)c(=O)nc2O)C(C)(C)C1 977592236 UAVRCODQFXTQKQ-NSHDSACASA-N 304.350 -0.441 30 20 DBED CN(CC#N)C1CCN(C(=O)[C@H]2CCc3nnc(O)n3C2)CC1 985509600 VEWYMSPFPGELCC-NSHDSACASA-N 318.381 -0.008 30 20 DBED CN(CC#N)C1CCN(C(=O)Cn2ccc(O)nc2=O)CC1 985524352 ZALNZNQOKIDZDI-UHFFFAOYSA-N 305.338 -0.605 30 20 DBED N#CCN1CC[C@]2(NC(=O)[C@H]3CCS(=O)(=O)N3)CCC[C@H]12 992498817 MJMUQPJWQNVNCQ-NTZNESFSSA-N 312.395 -0.685 30 20 DBED C#CCCN1CCC[C@H](NC(=O)CN2CCOCC2=O)[C@@H]1C 993422007 LHXGZVBRZASNGP-KBPBESRZSA-N 307.394 -0.162 30 20 DBED Cn1nnc(CN[C@@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)C2)n1 998969857 OFJWUYBCWDYABU-LLVKDONJSA-N 314.353 -0.196 30 20 DBED CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NC1CN(C(=O)C#CC2CC2)C1 999896379 KQBMSYGUTQHARE-QWHCGFSZSA-N 303.362 -0.549 30 20 DBED C#Cc1cncc(C(=O)N[C@@H](C)C2CN(C(=O)CC(N)=O)C2)c1 1006829373 SMQLXLJNIUWUDT-JTQLQIEISA-N 314.345 -0.485 30 20 DBED CC#CCN1CCC[C@H](NC(=O)c2cn(C)c(=O)nc2O)C1 1009491779 BKAGSZPZHXWFKK-NSHDSACASA-N 304.350 -0.297 30 20 DBED Cc1c(C(=O)N2CCN(C(=O)C#CC3CC3)CC2)nnn1C 1010854079 ILIZQLMOXRVKCR-UHFFFAOYSA-N 301.350 -0.179 30 20 DBED C=C(Cl)CN1CC[C@H](NC(=O)CN2CCN(C)C(=O)C2)C1 1015014059 LTLRDJFKLYLQOZ-LBPRGKRZSA-N 314.817 -0.297 30 20 DBED C#CCN1CCC2(CC1)C[C@H]2NC(=O)Cn1ccc(O)nc1=O 1016715272 OBXUJRULXWVYIL-GFCCVEGCSA-N 316.361 -0.447 30 20 DBED N#CCN1CC[C@H]2[C@@H](CCCN2C(=O)Cn2c(O)nnc2O)C1 1021722279 NACBPSHUNOVGBV-QWRGUYRKSA-N 320.353 -0.474 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H](CNCc2nc(=O)n(C)[nH]2)C1 1023892979 COBXGJRDQFBWPE-MNOVXSKESA-N 306.370 -0.404 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2[nH]c(O)nc2C)C1 1024191501 WDPNBTJYQNUWKP-NXEZZACHSA-N 322.365 -0.063 30 20 DBED C=CCN[C@@H]1CC[C@H]2CN(C(=O)CN3CCN(C)C(=O)C3)C[C@H]21 1026296736 CCGPMYAGGLURHV-RRFJBIMHSA-N 320.437 -0.227 30 20 DBED C=CCN[C@@H]1CC[C@H]2CN(C(=O)c3nnc(O)nc3O)C[C@H]21 1026304887 RGMBDUKMFAWNCL-IVZWLZJFSA-N 305.338 -0.091 30 20 DBED C#CCCN1CCC[C@@H]1CNC(=O)c1cn(C)c(=O)n(C)c1=O 1028179098 WFXUVGILAMUQCW-GFCCVEGCSA-N 318.377 -0.699 30 20 DBED C#Cc1cncc(C(=O)NC2CN(CCS(C)(=O)=O)C2)c1 1030928156 HLXJKAAXNRNAMM-UHFFFAOYSA-N 307.375 -0.479 30 20 DBED N#Cc1c[nH]c(C(=O)NCC2CN([C@@H]3CCC(=O)NC3=O)C2)c1 1031605047 YKQWMEMHJILMIK-GFCCVEGCSA-N 315.333 -0.647 30 20 DBED C=CCn1cc(C(=O)N(C)[C@@H]2CCN([C@@H](C)C(N)=O)C2)nn1 1033484993 UXLGBGTYTJZKTB-WDEREUQCSA-N 306.370 -0.516 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)C2CCC(C(N)=O)CC2)C1 1035424752 WPBRRKZKTSXJGJ-RUXDESIVSA-N 307.394 -0.272 30 20 DBED C#CCCN1CCO[C@@H](CNC(=O)c2cc(C(N)=O)ccn2)C1 1035632113 YLWNTXCVIIXFEK-ZDUSSCGKSA-N 316.361 -0.366 30 20 DBED C#CCCCC(=O)NC[C@]1(O)CCN(C(=O)Cc2ncc[nH]2)C1 1039574498 UGIDLTOYQQWIOB-MRXNPFEDSA-N 318.377 -0.165 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@]1(O)CCN(C(=O)c2cocn2)C1 1039722688 YCFZCOJLDIGZDA-ABAIWWIYSA-N 321.333 -0.594 30 20 DBED Cc1nccc(C(=O)NC[C@@]2(O)CCN(C(=O)[C@@H](C)C#N)C2)n1 1039778647 CYOWDXOURYOTGX-BONVTDFDSA-N 317.349 -0.362 30 20 DBED C#Cc1ccc(C(=O)NC[C@@]2(O)CCN(C(=O)COC)C2)nc1 1040428738 CLWLSRKKBKSLSZ-INIZCTEOSA-N 317.345 -0.598 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)c2csc(O)n2)C1 1040630216 RDUWYGSBCFWHDM-OQPBUACISA-N 324.362 -0.298 30 20 DBED C=CCCCC(=O)NC[C@]1(O)CCN(C(=O)Cn2ncnn2)C1 1040729532 QRDOIUVZYKZGEQ-CQSZACIVSA-N 322.369 -0.891 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(O)(CNC(=O)c2cnn(C)c2)C1 1041413589 XXGDLUIKKUOCKF-AWEZNQCLSA-N 322.365 -0.950 30 20 DBED C#CCCN1CC[C@@]2(CCN(C(=O)c3nnc(O)nc3O)C2)C1 1041446518 TUUPOYWWVQLMBQ-OAHLLOKOSA-N 317.349 -0.156 30 20 DBED C=CCCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)C(F)F)C1 1041873807 JRUIZMFHKRBJBU-VIFPVBQESA-N 306.309 -0.078 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)C[C@H](C)OC)C1 1041932213 DYIMCECCTKQWCL-NSHDSACASA-N 300.355 -0.697 30 20 DBED CN1CC[C@@H](N2CC(N(C)C(=O)c3cc(C#N)c[nH]3)C2)C1=O 1042589022 AMCTZQRUFOCQPY-CYBMUJFWSA-N 301.350 -0.127 30 20 DBED C#CCCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCN(C)C2)C1 1042663659 AXGCESOHCFGPML-CQSZACIVSA-N 321.421 -0.179 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)c2cc(C)ncn2)C1 1042802496 KLSWDCNZRCZAKL-UHFFFAOYSA-N 316.361 -0.108 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)CCCC#CC)C1 1044999262 UXWDNAIJCGLNOU-AWEZNQCLSA-N 320.389 -0.092 30 20 DBED C=CCCCC(=O)N1CC(O)(CNC(=O)CCn2cnnn2)C1 1045258611 CJJJOQYZRKXVMZ-UHFFFAOYSA-N 322.369 -0.891 30 20 DBED C=CCCCC(=O)NCC1(O)CN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 1045458404 BUTOFBPLSJUMIW-MNOVXSKESA-N 309.366 -0.846 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cn3nccc3nc2C)C1 1047581640 IGBMTTQIAZPCAG-KBPBESRZSA-N 313.361 -0.212 30 20 DBED CN(C(=O)C#CC1CC1)[C@H]1CN(C(=O)[C@@]2(F)CCOC2)C[C@@H]1O 1048828281 KUEFOIQYGHDVPB-HEHGZKQESA-N 324.352 -0.442 30 20 DBED C#CCN1C[C@H]2CN(C(=O)[C@H]3COCCN3C(C)=O)C[C@H]2C1 1049224038 ZIERRGGLMLXSGJ-QLFBSQMISA-N 305.378 -0.743 30 20 DBED C#CCCN1CC[C@H]2[C@@H]1CCCN2C(=O)CN1CC(=O)NC1=O 1049791442 VBQZQDHXHDFGBO-STQMWFEESA-N 318.377 -0.373 30 20 DBED C#CCCN1CC[C@H]2[C@@H]1CCCN2C(=O)CN1C(=O)CNC1=O 1049888110 XRWBPHZAHZBVSJ-STQMWFEESA-N 318.377 -0.373 30 20 DBED C[C@H](C#N)C(=O)N1CCOC2(CN(CC(=O)N(C)C3CC3)C2)C1 1053188068 YZRONXDKHZZQQC-GFCCVEGCSA-N 320.393 -0.320 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)C[C@H]3CCN(C)C3=O)CO2)C1 1053841155 BFBGEHJNKRRVKK-ZIAGYGMSSA-N 319.405 -0.162 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)[C@H]3CCc4nccn4C3)CO2)C1 1053852187 HWJFWDJMLWIGSS-STQMWFEESA-N 315.377 -0.071 30 20 DBED C#CCN1CC[C@@]2(CCCN(C(=O)C3CS(=O)(=O)C3)C2)C1 1054138314 NRLZPEHDJLXSOY-HNNXBMFYSA-N 310.419 -0.021 30 20 DBED C=C[C@](C)(O)CC(=O)N1C[C@H]2CN(C(=O)CC(=O)NC)C[C@H]2C1 1055300946 JYDIUEPNZOIHNN-OZVIIMIRSA-N 323.393 -0.634 30 20 DBED C=CCOCC(=O)N[C@@]1(CO)CCCN(C(=O)c2cocn2)C1 1055831505 OTICRUOMXDUVJL-HNNXBMFYSA-N 323.349 -0.040 30 20 DBED O=C(N[C@@]1(CO)CCCN(C(=O)C#CC2CC2)C1)c1ncc[nH]1 1055929410 NWLFDFQEHJWTRI-INIZCTEOSA-N 316.361 -0.094 30 20 DBED C[C@@H](C#N)C(=O)N[C@@]1(CO)CCCN(C(=O)c2cn[nH]c2)C1 1056093109 HBPIMTDUNRFTSQ-HZMBPMFUSA-N 305.338 -0.347 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)c1ccc(F)cn1 1057403041 TZRMQUHGQYJQLQ-SNVBAGLBSA-N 308.313 -0.069 30 20 DBED C=C(C)CCC(=O)N(CCO)CCNC(=O)c1nccnc1N 1057804827 WQERHPHIZCCEND-UHFFFAOYSA-N 321.381 -0.034 30 20 DBED Cn1cc(C(=O)NC2CCN(c3nccnc3C#N)CC2)nn1 1057866171 YKVPVXXJOYDKOM-UHFFFAOYSA-N 312.337 -0.124 30 20 DBED C=C[C@](C)(O)CC(=O)NCCN(CCO)C(=O)c1cnco1 1058193038 CRZYIBJTZMTRGZ-AWEZNQCLSA-N 311.338 -0.448 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)[C@H]1CC[C@H]1C(N)=O 1058294552 OXIADKAKKIMVKJ-OLZOCXBDSA-N 323.393 -0.762 30 20 DBED C=C[C@H](CC)CC(=O)N(CCO)CCNC(=O)Cc1nc[nH]n1 1058468612 MVWDOGPKBBWVMM-GFCCVEGCSA-N 323.397 -0.113 30 20 DBED CN1C[C@@H](C(=O)N[C@H]2CCN(c3ccncc3C#N)C2)NC1=O 1058504070 FTQXDOWVROUHNC-RYUDHWBXSA-N 314.349 -0.328 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)[C@H]1CCCOCC1 1058653071 LSLFGLZNIGLYAT-OLZOCXBDSA-N 311.382 -0.100 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)C[C@@H]1CCC(=O)N1C 1058660566 CPRVPSRHHHOKCS-NEPJUHHUSA-N 324.381 -0.906 30 20 DBED COCc1nc(C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N)co1 1058668359 WTYXSALGKKFURO-JTQLQIEISA-N 324.337 -0.469 30 20 DBED C=CC(C)(C)CC(=O)NCCN(CCO)C(=O)Cn1cncn1 1058884511 WODBEIGMFHPJEB-UHFFFAOYSA-N 323.397 -0.183 30 20 DBED CN1CC[C@H](C(=O)N[C@H]2C[C@@H](Nc3nccnc3C#N)C2)C1=O 1059786181 HOJVJEGQGATVFF-OUAUKWLOSA-N 314.349 -0.114 30 20 DBED Cn1ncc(C(=O)N2CCOC[C@H]2CNC(=O)C#CC2CC2)n1 1061569995 QVTWTSSFSPEEBJ-GFCCVEGCSA-N 317.349 -0.814 30 20 DBED C#CCOCCC(=O)NC[C@H]1CCCCN1C(=O)c1cnn[nH]1 1062271779 FSILNQQXTIGAES-GFCCVEGCSA-N 319.365 -0.045 30 20 DBED N#Cc1cccnc1N1C[C@@H]2C[C@H]1CN2C(=O)Cn1cnnn1 1062447868 LDWDCODXUNLNGF-RYUDHWBXSA-N 310.321 -0.571 30 20 DBED CN(C(=O)[C@@H]1CNC(=O)N1)[C@@H]1CCN(c2ccncc2C#N)C1 1063024397 BHAYSGKWPATDPX-NEPJUHHUSA-N 314.349 -0.328 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)[C@H]2CCNC2=O)CCO1 1065422735 UECNLIPPDHGHQC-RYUDHWBXSA-N 309.366 -0.568 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(C(=O)c2ccnnc2)CCO1 1065664685 HZYSFRXZKCDCNH-CQSZACIVSA-N 314.345 -0.153 30 20 DBED COCC(=O)N1CCC[C@@](CO)(Nc2ccc(C#N)nn2)C1 1066879553 JERCPWFHBONKSM-CQSZACIVSA-N 305.338 -0.240 30 20 DBED C[C@H](C#N)C(=O)N(C)CCCN(C)C(=O)c1c[nH]c(=O)cn1 1068041919 FKAUOTQDCJXYIT-SNVBAGLBSA-N 305.338 -0.150 30 20 DBED C[C@@H](Nc1ccc(C#N)cn1)[C@H]1CN(C(=O)CC(N)=O)CCO1 1068226897 CGQUJQBBTHAISZ-ZYHUDNBSSA-N 317.349 -0.144 30 20 DBED C#CCNC(=O)CC(=O)N1CC2(C[C@@H](NC(=O)CCC)CO2)C1 1068660915 ZTHNNWDEQPBQPG-GFCCVEGCSA-N 321.377 -0.588 30 20 DBED C=CCCC(=O)N[C@@H]1COC2(C1)CN(C(=O)c1nc[nH]n1)C2 1068751903 DQJGDNPXWZHBIR-JTQLQIEISA-N 305.338 -0.129 30 20 DBED N#CCN[C@@H]1CN(C(=O)c2cncs2)C[C@@H]1n1ccnn1 1070150347 JQPRIUUNDJDOER-ZJUUUORDSA-N 303.351 -0.087 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2cc(C)ncn2)C[C@@H]1n1ccnn1 1070183165 TWVHZJHXIOWPIY-KGLIPLIRSA-N 311.349 -0.335 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CCCN(C(=O)CNC(=O)C2CC2)C1 1070475753 JGYQQPOEAAFUKU-CMPLNLGQSA-N 306.366 -0.221 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC[C@@H](NC(=O)[C@@H]2CCC(=O)N2)C1 1070730708 PUUJVYUXGCFTFU-XQQFMLRXSA-N 321.377 -0.590 30 20 DBED C=C(C)CN1C[C@H]2C[C@@H]3CN(C(=O)[C@H]4COC(=O)N4)C[C@@]3(C1)O2 1070793163 AFVJLGVIKBBZDK-BRXULGCHSA-N 321.377 -0.027 30 20 DBED C#CCCCC(=O)N[C@H]1CN(C(=O)CCNC(N)=O)C[C@H]1C 1072066647 ONSOTSCYJPGFAT-NEPJUHHUSA-N 308.382 -0.189 30 20 DBED C=CCOCC(=O)N[C@H]1CN(C(=O)C(=O)NCC2CC2)C[C@@H]1C 1072610469 BOAFLERQYLBXQB-AAEUAGOBSA-N 323.393 -0.322 30 20 DBED Cn1cccc(C(=O)N2CC[C@@H]3OCCN(CC#N)[C@@H]3C2)c1=O 1074382400 KFFZERXMRMSZHL-KGLIPLIRSA-N 316.361 -0.176 30 20 DBED C[C@H](C#N)C(=O)N1CCC(O)(CNC(=O)c2cn[nH]c2)CC1 1074704656 FMZODEUMYZARIF-SNVBAGLBSA-N 305.338 -0.347 30 20 DBED CCC(=O)NCC(=O)NCC1(O)CCN(C(=O)[C@@H](C)C#N)CC1 1074704674 FZHPGRKTTYRODH-NSHDSACASA-N 324.381 -0.858 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)C1=COCCO1 1075501225 QSPMSABZRDKNHJ-NSHDSACASA-N 323.349 -0.975 30 20 DBED C=CCCC(=O)NCC[C@H](C)NC(=O)CN1CCN(C)C(=O)C1 1075886035 YTFOFHGYSOVKMM-ZDUSSCGKSA-N 324.425 -0.262 30 20 DBED COCC(=O)N(C)CC(=O)N[C@@H](C)CCNC(=O)C#CC1CC1 1076432377 OCOOAFSDYRJQCQ-LBPRGKRZSA-N 323.393 -0.484 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(N(CC)C(=O)c2[nH]nnc2C)C1 1080205787 RRVUVDCTIDGNMF-LLVKDONJSA-N 319.365 -0.176 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2ccc[nH]2)C1 1081247715 GSUPQBBLNAOLME-DGCLKSJQSA-N 307.350 -0.234 30 20 DBED C=C(C)CCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2cnn(C)n2)C1 1081599190 ZGERZTLPTNSAQD-DGCLKSJQSA-N 321.381 -0.280 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)NC)C[C@H]1OC 1082146609 MXTGIKOUKPIJTM-FVCCEPFGSA-N 311.382 -0.861 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H](C)N1CCOCC1 1083293681 SHAPHDJTKSQHTI-HRCADAONSA-N 321.421 -0.358 30 20 DBED Cn1ncc(C(=O)N[C@@H]2CN(CC#N)C[C@@H]2O)c1C(F)(F)F 1083600929 UWBRRWUBHWGKEQ-BDAKNGLRSA-N 317.271 -0.263 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CN3CC4CC3(CO2)C4)C1 1083654957 NZWXTZNYPKMZGR-CLPSQLOGSA-N 321.421 -0.413 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)C2(N3CCOCC3)CCCC2)C1 1083828175 FAUOLQIXKLOZQF-CABCVRRESA-N 323.437 -0.021 30 20 DBED N#CCN[C@H]1CCCCCN(C(=O)c2cn(CC(N)=O)nn2)C1 1088430326 MJXJTJQPQXNLSH-NSHDSACASA-N 319.369 -0.739 30 20 DBED N#CCN1CC[C@H](NC(=O)c2cc3ncccn3n2)[C@H](O)C1 1090660008 NGQROZLIMLHPET-CMPLNLGQSA-N 300.322 -0.582 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2ccc(OC)nn2)[C@H](O)C1 1090703126 BHXCNBGGFVFRIE-WCQYABFASA-N 304.350 -0.327 30 20 DBED C=CCN1CC[C@@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)[C@H](O)C1 1090785256 YTZCTGXEKBUYNX-GHMZBOCLSA-N 324.381 -0.946 30 20 DBED CCNC(=O)CC(=O)NC[C@H]1C[C@H](N=c2cc[nH]c(C#N)n2)C1 1091444523 RYGVTDRFURVJRR-XYPYZODXSA-N 316.365 -0.397 30 20 DBED N#Cc1ccc(N2CC[C@@H](NC(=O)C#CC3CC3)[C@@H](O)C2)nn1 1092150975 IXVXSHBNHRUZNM-KGLIPLIRSA-N 311.345 -0.183 30 20 DBED C[C@H](C#N)C(=O)NCC1CC(Nc2nccn3nnnc23)C1 1092208542 JLKSOXOFCSJKDA-XNWIYYODSA-N 300.326 -0.014 30 20 DBED CNC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccnc(C#N)n1 1092820944 ODEPVTNQRWQICB-VWYCJHECSA-N 314.349 -0.290 30 20 DBED C=CCN1C[C@@H](C)[C@H](CNC(=O)[C@@H]2CCN(C)S2(=O)=O)C1 1093044323 GUXCHGOYKBIHSZ-UPJWGTAASA-N 315.439 -0.110 30 20 DBED CNC(=O)CN1CC(OC2CCN(C(=O)C#CC3CC3)CC2)C1 1093533848 AYKDXPSSKCHZFX-UHFFFAOYSA-N 319.405 -0.162 30 20 DBED C#CCOCCC(=O)NCCNc1ncc([N+](=O)[O-])c(N)n1 1093893238 RLUALVILRZBGDI-UHFFFAOYSA-N 308.298 -0.465 30 20 DBED CCN1CCOC[C@H]1C(=O)NCCNc1nccnc1C#N 1093977478 LHUWQMWGVILWTA-LBPRGKRZSA-N 304.354 -0.403 30 20 DBED CC1CCN(C(=O)C(=O)NCCN=c2cc[nH]c(C#N)n2)CC1 1094154348 AGZSXGXABHVXPW-UHFFFAOYSA-N 316.365 -0.443 30 20 DBED C=C(C)CN1CC(N2C[C@H](NC(=O)[C@H]3CCN(C)C3)CC2=O)C1 1094815648 ZDDUZVAVQWETOK-UONOGXRCSA-N 320.437 -0.085 30 20 DBED CC(=O)N[C@H](C)C(=O)N1CCC[C@H](N=c2cc[nH]c(C#N)n2)C1 1095272726 GLDBTRJCQWHPFN-PWSUYJOCSA-N 316.365 -0.302 30 20 DBED C#CCO[C@@H](C)C(=O)NCCCN(C)c1ccc2nnnn2n1 1095639320 ZSMNUDLBPVMKON-NSHDSACASA-N 317.353 -0.500 30 20 DBED CNC(=O)NCCC(=O)N[C@H]1CCN(c2nccnc2C#N)C1 1096367531 OWKWROJWKFKQPM-JTQLQIEISA-N 317.353 -0.638 30 20 DBED CNC(=O)CC(=O)NC[C@H](Nc1ccc(C#N)nn1)C1CC1 1096651343 IUQQPLHVOOIUFF-NSHDSACASA-N 302.338 -0.209 30 20 DBED C[C@@H](C(=O)N[C@H]1C[C@@H](N=c2cc[nH]c(C#N)n2)C1)S(C)(=O)=O 1097264949 PCYVRXJYDVULIG-LPEHRKFASA-N 323.378 -0.738 30 20 DBED C#CCCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H]1CC(=O)NC(=O)N1 1097942638 BLNKPOFEKYKQBT-WYUUTHIRSA-N 304.350 -0.671 30 20 DBED C[C@@H](CNC(=O)c1cc(C(N)=O)c[nH]1)N=c1cc[nH]c(C#N)n1 1098020328 GTMFMUFBMCKNFQ-QMMMGPOBSA-N 313.321 -0.572 30 20 DBED C[C@H](CCNC(=O)[C@H]1COC(=O)N1)N=c1cc[nH]c(C#N)n1 1099077550 OUWOBZVOIBBHMV-RKDXNWHRSA-N 304.310 -0.815 30 20 DBED C=CCOCCN1C[C@@H]2[C@@H]3CC[C@@H](CN3C(=O)C(N)=O)[C@H]2C1 1099518597 BHWACRGRSCLSSU-CRWXNKLISA-N 307.394 -0.157 30 20 DBED C[C@H](CCNC(=O)[C@H]1CN(C)C(=O)N1)Nc1cnc(C#N)cn1 1099617907 ZTMXIOCUXKOMST-MWLCHTKSSA-N 317.353 -0.321 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)c2occc2C)[C@H](O)C1 1099662977 HKEIMHQULDAEAR-CHWSQXEVSA-N 319.361 -0.498 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)Cc2ccon2)[C@H](O)C1 1099743069 DKQPZRMCKYDZEL-ZIAGYGMSSA-N 309.366 -0.029 30 20 DBED N#CCN1CC[C@H](NC(=O)CCNC(=O)c2ccco2)[C@H](O)C1 1100101080 GJYHEOVHMYLZSX-NWDGAFQWSA-N 320.349 -0.526 30 20 DBED C=CCN1CC[C@@H](NC(=O)CCS(=O)(=O)N(C)C)[C@H](O)C1 1100122675 VFYRBDKDEBKGIR-VXGBXAGGSA-N 319.427 -0.995 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)[C@H]2CCCN2C)C1 1100186042 XJUJBZWUOAEPRX-JXQTWKCFSA-N 306.410 -0.686 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1CC(NCc2nc(=O)n(C)[nH]2)C1 1100285570 MTBLYLMNRARJRT-NWHVRFAMSA-N 323.397 -0.580 30 20 DBED C#CCOCCC(=O)NCC1CC(N[C@H]2CCCNC2=O)C1 1100326442 YNDMQEBYAGVQQT-RUXDESIVSA-N 307.394 -0.211 30 20 DBED CCN(CCNC(=O)C[C@H]1CCC(=O)N1)c1cncc(C#N)n1 1100568738 VMXZZZACKHFXOF-LLVKDONJSA-N 316.365 -0.041 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)C2(CN(C)C)CC2)C1 1100617429 UHSGYWXNRISFMP-UHFFFAOYSA-N 320.437 -0.438 30 20 DBED C=CCNC(=O)CNC1CC(CNC(=O)[C@H](COC)OC)C1 1100656780 MHYVMYXLCDRYGT-BPCQOVAHSA-N 313.398 -0.566 30 20 DBED CCN(CCNC(=O)[C@@H](COC)OC)c1cncc(C#N)n1 1100712404 SGBKWDINEWSSNT-GFCCVEGCSA-N 307.354 -0.048 30 20 DBED C=C(C)CNC1CC(CNC(=O)CS(=O)(=O)N(C)C)C1 1100930278 WAXCFYYOAMFHLO-UHFFFAOYSA-N 303.428 -0.062 30 20 DBED COCC#CCN1C[C@@H]2CN(C(=O)[C@H](C)NC(N)=O)C[C@]2(C)C1 1101213046 PWASCIZUPLBBGF-ZENOOKHLSA-N 322.409 -0.527 30 20 DBED C#CCN1C[C@@H]2CN(C(=O)[C@@H](C)NS(C)(=O)=O)C[C@]2(C)C1 1101375375 PRXSXTVFMVICFR-BZPMIXESSA-N 313.423 -0.662 30 20 DBED N#Cc1cncc(N(CCNC(=O)Cn2ncnn2)C2CC2)n1 1101391381 YRARMBFPPOEJDR-UHFFFAOYSA-N 313.325 -0.880 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1CCNC(=O)CCNS(C)(=O)=O 1103051503 BTLFCESDNURTGL-VXGBXAGGSA-N 316.427 -0.477 30 20 DBED CC[C@H](CNC(=O)C(C)(C)C(N)=O)N=c1cc[nH]c(C#N)n1 1103212171 GXDBFJKFAAVNPN-SECBINFHSA-N 304.354 -0.412 30 20 DBED C[C@@H](CNc1ccc(C#N)nn1)N(C)C(=O)[C@@H]1COCCN1C 1104527070 KYEQQXHPSBLMPZ-AAEUAGOBSA-N 318.381 -0.062 30 20 DBED C#CCCNCc1cn(C2CN(C(=O)[C@H]3COCCO3)C2)nn1 1105164455 CCWFKBHTUZYHRM-CQSZACIVSA-N 319.365 -0.810 30 20 DBED Cc1cc(C(=O)N2CC(n3cc(CNCC#N)nn3)C2)ncn1 1105213651 FMPSOCCWQHICKK-UHFFFAOYSA-N 312.337 -0.313 30 20 DBED C#CCCNCc1cn(C2CN(C(=O)Cc3nc[nH]n3)C2)nn1 1105359552 NAYPYJJJEWOFOX-UHFFFAOYSA-N 314.353 -0.865 30 20 DBED CNC(=O)CC(=O)N1C[C@@]2(C[C@@H](O)[C@H](NCC#N)C2)[C@@H]1C(C)C 1105623546 RFGFQNCFDRTQII-AVRGHOLYSA-N 322.409 -0.388 30 20 DBED Cc1cnc(C(=O)NC[C@H](O)CN=c2cc[nH]cc2C#N)cn1 1105709743 QCOMZDYBICMWIW-GFCCVEGCSA-N 312.333 -0.324 30 20 DBED N#Cc1nc(=NC[C@@H](O)CNC(=O)c2ccc(F)nc2)cc[nH]1 1105771459 LIXYSLIMPKNUJK-SNVBAGLBSA-N 316.296 -0.493 30 20 DBED Cc1cc(=NC[C@H](O)CNC(=O)CN2CCCC2)c(C#N)c[nH]1 1105856171 OUVNZLSSHITUMG-AWEZNQCLSA-N 317.393 -0.332 30 20 DBED C[C@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)C(=O)NCC1CC1 1106417619 VFRRMOXNEYQFPQ-SNVBAGLBSA-N 316.365 -0.397 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)[C@@H](C)NS(C)(=O)=O)C[C@H]1C 1106702001 QQWKQGJLYMKPLO-JHJVBQTASA-N 315.439 -0.369 30 20 DBED C=CCO[C@@H](C)C(=O)N1C[C@@H](C)[C@H](CNCC(=O)NCC#N)C1 1107062739 RFYUMLHIYOKHSR-HZSPNIEDSA-N 322.409 -0.099 30 20 DBED CNS(=O)(=O)CC(=O)NC/C=C/CNc1ccc(C#N)cn1 1107214764 QNJSIBUWWOFMQH-NSCUHMNNSA-N 323.378 -0.413 30 20 DBED CCS(=O)(=O)CC(=O)NC/C=C/CNc1ccc(C#N)nn1 1107222991 VJPFANWLICZRQZ-ONEGZZNKSA-N 323.378 -0.133 30 20 DBED N#Cc1nc(=NC/C=C\CNC(=O)[C@H]2CCCC(=O)N2)cc[nH]1 1107383629 ZUJWTZHOLLJTHI-RFMOXSJOSA-N 314.349 -0.477 30 20 DBED COCC#CCN1CCO[C@@](C)(CNC(=O)[C@H]2CCOC2)C1 1107794284 ZCUXOWZTUDKXFI-HOCLYGCPSA-N 310.394 -0.120 30 20 DBED C#CCCCC(=O)NC[C@]1(C)CN(CC(=O)NC(N)=O)CCO1 1107901529 ROWFDVZIMNBTFL-OAHLLOKOSA-N 324.381 -0.808 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)[C@H]2CCNC(=O)CC2)C1 1108097116 BRICELZFHJDCCA-CJNGLKHVSA-N 307.394 -0.257 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)[C@H]2CN(C(C)C)CCO2)C1 1108158503 GLNGHTYEPGBXEV-WBVHZDCISA-N 323.437 -0.064 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)c1ccc(=O)n(C)c1 1108206331 PKTLFQDEPPNSBD-SNVBAGLBSA-N 312.333 -0.301 30 20 DBED C#CCOCCC(=O)N[C@H]1CC(=O)N(C2CN(CC#CC)C2)C1 1108546040 MVVDALDMTUTTNG-AWEZNQCLSA-N 317.389 -0.549 30 20 DBED COCC(C)(C)CC(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1 1108558547 HEGWWWWCUUYVJO-LBPRGKRZSA-N 322.409 -0.026 30 20 DBED Cc1cc(C#N)nc(NC[C@H](C)NC(=O)[C@@H]2CN(C)C(=O)N2)n1 1108635084 DOKBWNHBWSGMPX-ONGXEEELSA-N 317.353 -0.403 30 20 DBED C[C@H](CN(C)c1ccc(C#N)nc1)NC(=O)C1CS(=O)(=O)C1 1109116457 JAMJRWXUTHEHRJ-SNVBAGLBSA-N 322.390 -0.061 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C1CN(C(C)=O)C1 1110481673 JHYUBCKWVHRXAY-OAGGEKHMSA-N 319.405 -0.164 30 20 DBED C[C@H](C#N)C(=O)N[C@@]1(CO)CCCN(c2nccnc2C#N)C1 1111343176 OHBHFTUFXZYPOX-ABAIWWIYSA-N 314.349 -0.045 30 20 DBED CCOCC(=O)N(CCO)CCN=c1cc(C)[nH]cc1C#N 1111424966 XLRVSRHOESCYAY-UHFFFAOYSA-N 306.366 -0.047 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1COCCN1c1ccc2nnnn2n1 1111662958 KVXMJTYZOBXXEV-VHSXEESVSA-N 316.325 -1.000 30 20 DBED N#Cc1c(F)cccc1N1CCOC[C@@H]1CNC(=O)C(N)=O 1111715208 FXNPWOYRFUMYEO-VIFPVBQESA-N 306.297 -0.496 30 20 DBED CN(C)CCC(=O)NC[C@@H]1COCCN1c1ccc(C#N)nn1 1111719498 OXUZWKMQWAIJGG-CYBMUJFWSA-N 318.381 -0.379 30 20 DBED CC(=O)N[C@@H](C)C(=O)NC[C@@H](C)N(C)c1ccnc(C#N)n1 1113508645 KZPXYWUANILAES-ZJUUUORDSA-N 304.354 -0.186 30 20 DBED C[C@H](CNC(=O)[C@@H]1COC(=O)N1)N(C)c1ccnc(C#N)n1 1113591482 XWVWTHVVOXWRJO-BDAKNGLRSA-N 304.310 -0.602 30 20 DBED C[C@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)N(C)c1ccnc(C#N)n1 1113802631 QJAVJVCPPXVUFU-ZJUUUORDSA-N 317.353 -0.687 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)CCCOC)[C@H]2C1 1113938848 WIQFGCASOPJRMM-AVGNSLFASA-N 307.394 -0.403 30 20 DBED C=CCOCC(=O)NC1[C@@H]2CN(CCNC(=O)C3CC3)C[C@@H]12 1114047489 GTKOLIADCAXTQF-CHWSQXEVSA-N 307.394 -0.238 30 20 DBED C[C@@H]1[C@H](C(=O)NC2[C@H]3CN(CC(=O)NCC#N)C[C@H]23)CCN1C 1114298045 BIWMKFTYADBVNI-NDBYEHHHSA-N 319.409 -0.987 30 20 DBED C=C(Cl)CN1C[C@@H]2C(NC(=O)CNS(=O)(=O)CC)[C@H]2C1 1114363264 AHDCCWAWSGSMMD-UWVGGRQHSA-N 321.830 -0.275 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@H]3CCCCN3C)[C@H]2C1 1114465659 IXXOUUATEKIWTF-CTASWTNQSA-N 320.437 -0.181 30 20 DBED CC[C@@H](NC(C)=O)C(=O)N[C@H]1[C@@H]2CN(CC#CCOC)C[C@@H]21 1114871768 HRRQAVULYLSLQQ-BARDWOONSA-N 307.394 -0.403 30 20 DBED CNC(=O)NCC(=O)N[C@@H](C)CCCNc1ccc(C#N)nn1 1115108115 HATKDYNCPQWHBB-JTQLQIEISA-N 319.369 -0.026 30 20 DBED CC#CCN1C[C@H]2C(NC(=O)CC[C@H]3NC(=O)NC3=O)[C@@H]2C1 1115215871 AUEGNVCXAXXOEV-GMTAPVOTSA-N 304.350 -0.956 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)CCCOC(C)C)[C@H]2C1 1115345596 INPXBJFHWPQOKQ-KBPBESRZSA-N 321.421 -0.013 30 20 DBED N#CCN1C[C@H]2C(NC(=O)CCCCCS(N)(=O)=O)[C@@H]2C1 1115368581 VWJJBTCDXSITMB-GHMZBOCLSA-N 314.411 -0.595 30 20 DBED N#Cc1c[nH]ccc1=NCCCOCCNC(=O)CC(N)=O 1115395473 GJSWTHUXLFXELC-UHFFFAOYSA-N 305.338 -0.815 30 20 DBED CCN(C[C@@H](C)C#N)C(=O)CN1CCC2(CC1)NC(=O)NC2=O 1116403342 MDPSJUVBLFJLNE-NSHDSACASA-N 321.381 -0.331 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1nocc1C 1116533784 BHHOXEYKJGFINW-UHFFFAOYSA-N 301.324 -0.361 30 20 DBED CC(=O)N(C)CC(=O)NC[C@H](CO)Nc1ccc(C#N)cn1 1121086032 IYKQDEWKEKHBIA-GFCCVEGCSA-N 305.338 -0.679 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)C[C@H]2COC(=O)C2)nn1 1121303878 RPMRJCAXWPXKRI-MWLCHTKSSA-N 319.321 -0.810 30 20 DBED N#Cc1cncc(N[C@H](CO)CNC(=O)[C@@]2(F)CCOC2)n1 1122410518 GYZDXJBNLVRJQZ-GXFFZTMASA-N 309.301 -0.634 30 20 DBED CN(CC(=O)NC[C@@H](CO)Nc1cnc(C#N)cn1)C1CCC1 1122740437 GCEVEZCADKNHIK-LBPRGKRZSA-N 318.381 -0.278 30 20 DBED CCC(=O)NCC(=O)N(C)C[C@H](O)CNc1ccc(C#N)nn1 1124185489 PFXWHMJVGJSZEU-LLVKDONJSA-N 320.353 -0.894 30 20 DBED CN(C[C@H](O)CNc1cncc(C#N)n1)C(=O)CN1CCCC1 1124351886 JBWFVUDFZFQVJV-CYBMUJFWSA-N 318.381 -0.325 30 20 DBED C=CCCO[C@@H](C)C(=O)NCCNCCNS(C)(=O)=O 1124496151 WWXQGWNAAAQGQE-NSHDSACASA-N 307.416 -0.777 30 20 DBED C=CCCC(=O)NCCNCC(=O)N1CCC(C(=O)NC)CC1 1124656637 UAPBMVZEXYSOJS-UHFFFAOYSA-N 324.425 -0.357 30 20 DBED C[C@@H](NC(=O)CC(N)=O)C1CCN(c2ccnc(C#N)n2)CC1 1126609721 XEXLPTDQIVRJFR-SNVBAGLBSA-N 316.365 -0.055 30 20 DBED Cc1cc(=NC2CC(N(C)C(=O)CC(N)=O)C2)c(C#N)c[nH]1 1126863980 IXEIGJFKUKBGII-UHFFFAOYSA-N 301.350 -0.040 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)[C@@H](C)NC(=O)CC)C1=O 1127945915 CUQQTBZTURVGAL-VXGBXAGGSA-N 310.398 -0.606 30 20 DBED Cn1cc(C(=O)NCCNCC(=O)NCC#N)c(C2CCC2)n1 1130449104 RKIJRDQBYHCDGO-UHFFFAOYSA-N 318.381 -0.353 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)c1cnn(CCF)c1 1130666523 PZOPBZQECADULD-LLVKDONJSA-N 311.361 -0.137 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H]2C[C@@H]3CN(CC=C)C[C@]2(C1)O3 1131217738 RIBIIHQPAOMBTH-JJRVBVJISA-N 317.389 -0.386 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cc(C(F)F)nn1C 1131281550 GNEBUSMWFIZDGE-UHFFFAOYSA-N 313.308 -0.574 30 20 DBED C[C@@H]1CC[C@H](NC(=O)CCc2nnc(O)nc2O)CN1CC#N 1132149198 HAUFKKAKTPCSMJ-ZJUUUORDSA-N 320.353 -0.292 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)CNC(=O)CCC 1133839417 GKVPLADJRWFERK-CHWSQXEVSA-N 324.425 -0.475 30 20 DBED C=C(C)CN[C@H](C)C[C@@H](C)NC(=O)CNS(=O)(=O)NC 1135081314 KFFAQEKUEZOKML-GHMZBOCLSA-N 306.432 -0.511 30 20 DBED CCN(CCC#N)C(=O)CN[C@@H](C)C[C@H](C)NC(=O)C(N)=O 1135339261 BRVWQBGWUJOSEK-QWRGUYRKSA-N 311.386 -0.893 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)[C@H]1CCO[C@H]1C 1135780772 INMTUIBEQIBWFI-STQMWFEESA-N 310.398 -0.121 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1cn(CC2CC2)nn1 1135973374 YZCYMPVAQGTCOT-NSHDSACASA-N 318.381 -0.855 30 20 DBED C#CCNC(=O)CN1CCCO[C@@H](CNC(=O)CC(C)C)C1 1149109071 HQFJVZGCKNPGSJ-AWEZNQCLSA-N 309.410 -0.011 30 20 DBED CC[C@H](F)C(=O)NC[C@H]1CN(CC(=O)NCC#N)CCCO1 1150149354 QLNKYDFBCWCLMF-RYUDHWBXSA-N 314.361 -0.419 30 20 DBED C#CCCN1CCCO[C@@H](CNC(=O)C(=O)NCC2CC2)C1 1150519967 YZFZAIHEIIBKBI-AWEZNQCLSA-N 307.394 -0.257 30 20 DBED C#CCNC(=O)CC(=O)NCCCN[C@@H](C)C(=O)N[C@H](C)CC 1156857241 JJNFXSUASMZTTF-OLZOCXBDSA-N 324.425 -0.475 30 20 DBED C#CCCCC(=O)NCCCNC[C@H](O)CN1C(=O)CCC1=O 1157179138 WPNKFMIXTILNIF-ZDUSSCGKSA-N 323.393 -0.604 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@@H](C)Cn1ccc(C)n1 1158844404 HMUQOFSFBRRWPY-ZDUSSCGKSA-N 319.409 -0.327 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@@H]1CC(=O)N[C@@H](C)C1 1161589743 VQWAHQOMGFHGDY-RYUDHWBXSA-N 310.398 -0.701 30 20 DBED C#CCN1CC=C(CCNC(=O)CN2CC(=O)N(C)C2=O)CC1 1161688044 FIDAFRZWKFHCPM-UHFFFAOYSA-N 318.377 -0.348 30 20 DBED C#CCN1CCC(CNC(=O)[C@H]2COCCN2C)(COC)CC1 1162218700 FXUUKQJNCFJQGQ-OAHLLOKOSA-N 323.437 -0.205 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)C(=O)N1CC[C@H](C)C1 1170643303 QHLMXFMOBWLASZ-STQMWFEESA-N 322.409 -0.911 30 20 DBED C#CCOCCC(=O)N[C@H](C)CCCCNCC(=O)NCC#N 1170730704 XVWLNZPMPMNRTJ-CQSZACIVSA-N 322.409 -0.069 30 20 DBED CNS(=O)(=O)CC(=O)NCCCNCc1ccccc1C#N 1176335361 BUHJBKLPBRQYNL-UHFFFAOYSA-N 324.406 -0.297 30 20 DBED CNC(=O)NCC(=O)N1CC[C@@H](CNCC#CCOC)[C@@H](C)C1 1184510551 FGAMAONDWIKHPC-KBPBESRZSA-N 324.425 -0.361 30 20 DBED C[C@H]1CN(C(=O)c2nnc(O)nc2O)CC[C@@H]1CNCC#N 1184734004 FWNJDULRDVIXMZ-DTWKUNHWSA-N 306.326 -0.506 30 20 DBED C#CCNC[C@H]1CCN(C(=O)Cn2c(O)nnc2O)C[C@H]1C 1185572793 KVWFMDYEPUGPNG-GHMZBOCLSA-N 307.354 -0.603 30 20 DBED C#CCOCCC(=O)N1CC[C@H]2CN(CC(=O)NCC#N)C[C@H]21 1187864829 DXBBSLNEKMKWID-UONOGXRCSA-N 318.377 -0.801 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)C2CCC(O)CC2)C1 1189883162 RJNPUORSWHZREG-SLTAFYQDSA-N 321.421 -0.180 30 20 DBED COCCOC[C@H](O)CN(C)[C@H]1CCN(C(=O)C#CC2CC2)C1 1190035537 FLRORGQBJYDASJ-JKSUJKDBSA-N 324.421 -0.044 30 20 DBED CCN(CCC#N)C(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)C#N)C1 1191855185 YGOPMFXWBAFNHY-YNEHKIRRSA-N 321.381 -0.930 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN([C@@H](C)C(=O)NC2CC2)C[C@H]1O 1192804798 JGJCTWZNDMSALA-IACUBPJLSA-N 307.394 -0.526 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@H]1CCN(C(=O)c2cnn(C)n2)C1 1192844953 DAXDANKKXZBARW-RYUDHWBXSA-N 318.381 -0.901 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 1194293688 ILBOKCQLLKIWIT-LSDHHAIUSA-N 322.453 -0.003 30 20 DBED C#CCC1(C(=O)N[C@@H]2CN(CC(=O)NC)C[C@H]2O)CCCCC1 1199277998 KIVZQULPALMRRO-ZIAGYGMSSA-N 321.421 -0.133 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CCN(C(=O)c2cn(C)cn2)CC1 1200070629 IPUDXEGEIPFMJD-GFCCVEGCSA-N 317.393 -0.248 30 20 DBED C=CCOCC(=O)N[C@@H]1C[C@@H](NCc2nnn(C)n2)C12CCC2 1202634824 VMKXUPGYQHSFDH-VXGBXAGGSA-N 320.397 -0.070 30 20 DBED CNC(=O)NCCC(=O)N1CCC(CNCC#CCOC)CC1 1205177040 ITCWIBITJYAMMR-UHFFFAOYSA-N 324.425 -0.217 30 20 DBED CCn1cc(C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@H]2C)cn1 1206648237 VYTKAOCKBZTHSV-DGCLKSJQSA-N 318.381 -0.407 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(CC(=O)N2CCOCC2)C[C@H]1C 1206938266 OMAJKZKXAATKIU-HUUCEWRRSA-N 321.421 -0.059 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)[C@@H]2CCCNC2=O)[C@H](C)C1 1207652648 DVYBCEMIEPVJEY-JHJVBQTASA-N 322.409 -0.749 30 20 DBED COCC#CCN[C@@H]1CCCN(C(=O)c2cnn(C)c2N)C1 1207870212 SZPYNTBQGBQWHG-GFCCVEGCSA-N 305.382 -0.154 30 20 DBED COCC#CCN[C@H]1CCCN(C(=O)Cc2n[nH]c(C)n2)C1 1208002416 TUCLOOOWQWOVOW-ZDUSSCGKSA-N 305.382 -0.114 30 20 DBED CC#CCN[C@H]1CCCN(C(=O)CCCS(N)(=O)=O)C1 1209334314 BVIBSQSQSFLMSR-LBPRGKRZSA-N 301.412 -0.341 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)CC[C@H]2CCOC2)C[C@H]1C 1214413479 GQTPQXUFSQZENQ-QLFBSQMISA-N 321.421 -0.011 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](NCc2nc(C)no2)[C@H](C)C1 1214472328 MJHVUXWHHYWPTN-ZYHUDNBSSA-N 319.365 -0.546 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1C 1215924783 CCQMEPZZGMKCNI-NQBHXWOUSA-N 320.397 -0.444 30 20 DBED C[C@@H]1CN(C(=O)Cc2ccco2)C[C@H]1NCC(=O)NCC#N 1216013638 YNLQCUNNEWRWRX-DGCLKSJQSA-N 304.350 -0.102 30 20 DBED C[C@H](C(N)=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)C#CC(C)(C)C 1217844014 PBHBOGNMDJPABN-FRRDWIJNSA-N 307.394 -0.179 30 20 DBED CC[C@@H]1C[C@H]1C(=O)N1CCO[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1218658077 UCDWWWZTQKWAQM-YIYPIFLZSA-N 320.393 -0.416 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)c2coc(C)c2)C1 1219513414 RTPWRBPDNMHJMV-BNOWGMLFSA-N 319.361 -0.499 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(Cc2n[nH]c(C)n2)C[C@@H]1O 1219536401 PKPRGGOOAJCXCE-SUNKGSAMSA-N 309.370 -0.898 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)CCc2nc(C)no2)C1 1220110511 LJNVKNMIGQISEK-OLZOCXBDSA-N 324.381 -0.325 30 20 DBED C=CCCCN1C[C@H](O)[C@H](NC(=O)CN2C(=O)CCC2=O)C1 1220934142 UNXGEFQQBZIOJK-NEPJUHHUSA-N 309.366 -0.737 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)CCNC(=O)[C@@H]3CCCO3)[C@@H]2C1 1222123994 CDFKBNQUQIAIKZ-KFWWJZLASA-N 319.405 -0.162 30 20 DBED C#CCN[C@@H]1CCCC[C@H]1NC(=O)CNS(=O)(=O)N(C)C 1228843215 UERUDCFLOFAYMZ-VXGBXAGGSA-N 316.427 -0.967 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)NC1CCN(CC(N)=O)CC1 1229485390 FJKMEPZAEVQWNS-CYBMUJFWSA-N 310.398 -0.477 30 20 DBED C=CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)[C@@H]1COCCO1 1230823246 GMCJAHXOONYASG-OLZOCXBDSA-N 311.382 -0.763 30 20 DBED C=CCNC(=O)[C@H](C)N(C)CCCNC(=O)[C@H](C)NC(C)=O 1233590561 ZCHCEBMCRXEICE-RYUDHWBXSA-N 312.414 -0.360 30 20 DBED CCn1ncc(C(=O)N(C)C[C@H]2CCN2CC(=O)NCC#N)n1 1234057702 CLUSEQUMOGKWJF-LLVKDONJSA-N 319.369 -0.916 30 20 DBED CN(C[C@@H]1CCN1CC#N)C(=O)CN1CCCS1(=O)=O 1235052559 QAGRVHFIMILALC-NSHDSACASA-N 300.384 -0.922 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C[C@H](O)COC 1235453893 HUOLHMNRGNGFAK-PMPSAXMXSA-N 323.437 -0.376 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CCC2(CCN(C)C2=O)CC1 1261154023 BMRYQVNESZTEHA-GFCCVEGCSA-N 323.393 -0.226 30 20 DBED C=CCn1c(N2CCN3C(=O)NC[C@@H]3C2)nnc1C1(O)CC1 1262957841 ILOZKRIKIDTTSR-SNVBAGLBSA-N 304.354 -0.341 30 20 DBED C=C[C@H](COC)NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1 1320294553 NYDPHQOPOFHKNI-SECBINFHSA-N 320.392 -0.187 30 20 DBED COC[C@H](O)CNC[C@H](O)CNC(=O)CC#Cc1ccccc1 1320316947 ZUROGVVPLVLDDA-JKSUJKDBSA-N 320.389 -0.498 30 20 DBED C=CC[C@H](CC)NC(=O)C(=O)Nc1ncn(CC(=O)NC)n1 1321337478 BXNAFPOPOLCMCV-VIFPVBQESA-N 308.342 -0.567 30 20 DBED C=CCNC(=O)CS(=O)(=O)c1nnc(O)n1CCCOC 1322422021 XCZVDNODNREECW-UHFFFAOYSA-N 318.355 -0.904 30 20 DBED C=CCN1CCC(NC(=O)C(=O)NCCCNC(C)=O)CC1 1322606570 HODXVEJTEGTUSO-UHFFFAOYSA-N 310.398 -0.605 30 20 DBED C=CCCC[C@H](C)NC(=O)C(=O)N1CC[C@@H]2OCC(=O)N[C@H]2C1 1325851769 SQRPVSMTRURMNL-AVGNSLFASA-N 323.393 -0.037 30 20 DBED CC#CC[C@H](CO)NC(=O)NC[C@H]1CCCS(=O)(=O)C1 1325992031 YYSLDDMBHMWNRJ-VXGBXAGGSA-N 302.396 -0.115 30 20 DBED Cc1nc2n(n1)CCN(C(=O)C(=O)Nc1cccc(C#N)n1)C2 1326354455 VXGDTVKJSCJXQD-UHFFFAOYSA-N 311.305 -0.166 30 20 DBED C#CC1CCN(C(=O)C(=O)NC[C@H]2CCS(=O)(=O)C2)CC1 1332193199 GOWOCODCYNZTGA-GFCCVEGCSA-N 312.391 -0.591 30 20 DBED C#CCN1CCC[C@H](NC(=O)N2C[C@H]3C(=O)N(C)C(=O)[C@H]3C2)C1 1333214847 JUCOBWPEMAOXPX-RWMBFGLXSA-N 318.377 -0.660 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N1CCC(CO)(CO)CC1 1335892311 WXBITLADGQKMRY-UHFFFAOYSA-N 306.362 -0.935 30 20 DBED COCCNC(=O)[C@H](C#N)C(=O)c1ccc(C(=O)OC)n1C 1342612461 SYMLBJDREZJDMQ-SECBINFHSA-N 307.306 -0.103 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CCO[C@@H](CC(=O)OC)C1 1343078550 BRASPTBKVWEZEG-MNOVXSKESA-N 314.338 -0.906 30 20 DBED C#C[C@@H](CCC)NC(=O)C(=O)Nc1ccc(=O)n(CC(N)=O)c1 1346193829 AJSMMAPHYBCBOR-JTQLQIEISA-N 318.333 -0.810 30 20 DBED CNC[C@@H]1CCN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1 1348714360 LUTHJGDTUWPWPU-JSGCOSHPSA-N 319.409 -0.747 30 20 DBED C#CCOCCn1nnnc1N1CCC(OC(=O)N(C)C)CC1 1355802966 ZCBZWRZHJVLRRD-UHFFFAOYSA-N 322.369 -0.010 30 20 DBED CN1CCC[C@@H](CNC(=O)CCn2cc(C#N)c(O)nc2=O)C1 1362132783 QQSGKWBYEVUEAZ-NSHDSACASA-N 319.365 -0.331 30 20 DBED N#Cc1ncn(CC(=O)NC2CCN([C@@H]3CCOC3=O)CC2)n1 1362273245 XDALYKMURHUPHW-LLVKDONJSA-N 318.337 -0.954 30 20 DBED Cc1ccnc(CNC(=O)CCn2cc(C#N)c(O)nc2=O)n1 1363457736 VEYFCXMVNGQVQV-UHFFFAOYSA-N 314.305 -0.375 30 20 DBED COCC[C@@H](C)CNC(=O)NCCn1cc(C#N)c(O)nc1=O 1365647166 ODQKKBMLSIABJP-SNVBAGLBSA-N 323.353 -0.208 30 20 DBED N#Cc1ccc(CNC[C@@H](O)CNC(=O)[C@@H]2CCC(=O)N2)cc1 1374669074 INHUZSLYJMJERA-KGLIPLIRSA-N 316.361 -0.596 30 20 DBED N#Cc1cc(C(=O)NC[C@H](O)CNC(=O)c2ccncc2)c[nH]1 1389052928 YOGZERSTZZOVEH-CYBMUJFWSA-N 313.317 -0.198 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)CNC(=O)N2CCCC2)C1 1389202799 LAKABCLZESSCLW-JTQLQIEISA-N 307.354 -0.722 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(Cc2cccc(C(N)=O)c2)C1 1402316870 JWHXETZXVHFUBR-LLVKDONJSA-N 316.361 -0.392 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@@H](CNC(=O)CS(C)(=O)=O)C1 1406558997 SVOBAFCGJMIXQN-BBBLOLIVSA-N 301.368 -0.798 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(CCNC(=O)C[C@H]2CCOC2)CC1 1407449801 SHYSCMXNHDEQJK-UONOGXRCSA-N 322.409 -0.167 30 20 DBED COCc1noc([C@@H](C)N2CC(O)(CNC(=O)[C@H](C)C#N)C2)n1 1421417305 JXXLYRGKNWQGLY-NXEZZACHSA-N 323.353 -0.400 30 20 DBED C[C@@H](NC[C@@H](O)CN(C)C(=O)c1cc(C#N)c[nH]1)C(=O)N(C)C 1423434045 OAOKMOLBEXKMJP-ZYHUDNBSSA-N 321.381 -0.614 30 20 DBED CC(=O)NCC(=O)N[C@H]1C[C@H](C)N(C(=O)c2cc(C#N)c[nH]2)C1 1425596042 SMCBAMNRVHSFDM-CABZTGNLSA-N 317.349 -0.258 30 20 DBED COCC(=O)NC[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCCO1 1445233580 DIUXHXKLCKDHII-GFCCVEGCSA-N 320.349 -0.120 30 20 DBED CC(C)C(=O)N1CCN(c2[nH]c(=O)n(C)c(=O)c2C#N)CC1 1458049273 LNWYFJGPGUXXII-UHFFFAOYSA-N 305.338 -0.750 30 20 DBED N#Cc1cn(CCNC(=O)CC2CCOCC2)c(=O)nc1O 1470359997 AGDJQLDZTMKUFJ-UHFFFAOYSA-N 306.322 -0.247 30 20 DBED C#CCNC(=O)CN1CCC[C@@H](NC(=O)c2ccc(O)nc2)C1 1481529614 LUYOBHVZWPEIRS-CYBMUJFWSA-N 316.361 -0.269 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(Cc2nc(C(F)F)no2)C1 1500806235 LFSXKUDVURNNEB-SSDOTTSWSA-N 315.280 -0.170 30 20 DBED C=C(C)Cn1c([C@@H](C)O)nnc1N1C[C@H]2C(=O)N(C)C(=O)[C@H]2C1 1515483527 SNPNMFGYSHVDFD-MXWKQRLJSA-N 319.365 -0.042 30 20 DBED CN1C(=O)CN(CC(=O)[C@@H](C#N)C(=O)c2nccn2C)C1=O 1524762240 YXUAEHMKCZOGOV-MRVPVSSYSA-N 303.278 -0.794 30 20 DBED CCn1nc(C)c(C(=O)NC[C@@H](O)CNC(=O)[C@H](C)C#N)c1C 1533296386 AUMBSKPWKKTQCJ-SKDRFNHKSA-N 321.381 -0.114 30 20 DBED C=CCN(CC=C)C(=O)CN1CCN(C(=O)CNC(=O)O)CC1 1573360828 YGHFJXUXVLSTJL-UHFFFAOYSA-N 324.381 -0.401 30 20 DBED C#CCNC(=O)CN(C)CCN(C(=O)[C@@H]1C[C@@H]1C(=O)O)C(C)C 1588484094 PVQGBCSCKDXDNO-OLZOCXBDSA-N 323.393 -0.375 30 20 DBED C=CCOCC(=O)N[C@H](C)CNc1cnc(-c2nn[nH]n2)cn1 1588676392 SIFSHJYSGCASBH-SECBINFHSA-N 318.341 -0.224 30 20 DBED CC(C)C#CC(=O)NCCOCCN(C)C(=O)[C@H]1C[C@H]1C(=O)O 1590928204 WOARPQOLHBWCTP-QWHCGFSZSA-N 324.377 -0.042 30 20 DBED CO[C@H](CS(=O)(=O)N(CC#N)CC(=O)O)C1CCOCC1 1599056634 DMVSZRUZOFSCGQ-LLVKDONJSA-N 320.367 -0.332 30 20 DBED C#CC[C@@H](COC)NC(=O)Nc1nn(C)cc1-c1nn[nH]n1 1602697457 NFWVWRFXUWDBHZ-QMMMGPOBSA-N 304.314 -0.240 30 20 DBED C[C@@]1(CCC(=O)O)NC(=O)N(CC(=O)NC2(C#N)CCC2)C1=O 1604570770 GCOPJOJCQMQDLX-ZDUSSCGKSA-N 322.321 -0.276 30 20 DBED C=CCO[C@H]1CCN(C(=O)C(=O)N2CCO[C@@H](C(=O)O)C2)C1 1609636832 JTHZPFYTGDWBCR-WDEREUQCSA-N 312.322 -0.898 30 20 DBED C#CCNC(=O)CN1CCC[C@H](NC(=O)Cc2cnn(C)c2)C1 1713787033 KWTWYODTRSBZHE-AWEZNQCLSA-N 317.393 -0.707 30 20 DBED C=CCOCC(=O)N1CC[C@H](NC(=O)CN(C)C(C)=O)[C@H]1C 1738918524 DVNBMEGOEKEGBV-YPMHNXCESA-N 311.382 -0.227 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H](CNC(=O)c1nc(C)c[nH]1)C1CC1 1752512959 JPSKEZUJMYLGKI-WCQYABFASA-N 317.393 -0.046 30 20 DBED COc1ncc(C(=O)NCC[C@@H](C)NCC(=O)NCC#N)cn1 1753016702 AARALJKCLVPQAQ-SNVBAGLBSA-N 320.353 -0.777 30 20 DBED CC(C)OCCC(=O)NC[C@H]1CCN(CC(=O)NCC#N)C1 1753120384 RUWHXMNNLXHGLH-CYBMUJFWSA-N 310.398 -0.121 30 20 DBED C#CCNC(=O)[C@H](C)NCC1(NC(=O)c2nc[nH]n2)CCCC1 1753508470 KOLXZMADVORUED-NSHDSACASA-N 318.381 -0.425 30 20 DBED CC[C@@H]1CCO[C@@H]1C(=O)NC[C@H](C)CNCC(=O)NCC#N 1753620008 IPCIQPZEERQDMF-BZPMIXESSA-N 310.398 -0.217 30 20 DBED C[C@@H](CNCC(=O)NCC#N)N(C)C(=O)Cc1cncs1 1753697921 SOCRJALOEHZXHG-JTQLQIEISA-N 309.395 -0.238 30 20 DBED CCc1ncncc1C(=O)NC[C@@H](O)CNCC#CCOC 1753936900 GQZIRVLFRIBKDS-LBPRGKRZSA-N 306.366 -0.631 30 20 DBED C#CCO[C@H](C)C(=O)N(C)CCCN[C@@H](C)c1nnnn1C 1754370479 CYWBRYOFMBPVRN-NWDGAFQWSA-N 308.386 -0.253 30 20 DBED CCc1ncoc1C(=O)N[C@@H](CNCC(=O)NCC#N)C1CC1 1754451574 LPPQMONKGGWSPA-LBPRGKRZSA-N 319.365 -0.025 30 20 DBED C#CCCN1CC(O)(CNC(=O)[C@H](C)OC[C@@H]2CCCO2)C1 1754779717 GTIJMNZFUILDIC-KBPBESRZSA-N 310.394 -0.243 30 20 DBED COCC#CCNC[C@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@H]1C 1754816911 IJXVMFILIJKYBP-OLZOCXBDSA-N 309.410 -0.168 30 20 DBED C#CCN1CCC[C@@](CO)(NC(=O)CS(=O)(=O)C(C)C)C1 1754860361 FGBGSEKMUVAKJT-CQSZACIVSA-N 316.423 -0.614 30 20 DBED CNC(=O)NCC(=O)N1CCC[C@H]2[C@H]1CCN2CC#CCOC 1754864274 ARXFDVZSCSDLNL-UONOGXRCSA-N 322.409 -0.370 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)[C@@H](C)CS(C)(=O)=O 1754973825 GUTVJXUGMXXWPA-RYUDHWBXSA-N 302.396 -0.883 30 20 DBED C=CCOCC(=O)N1CCC[C@@H]1CN(C)CC(=O)NCC#N 1755188190 AIKYEEXURCHFKU-CYBMUJFWSA-N 308.382 -0.248 30 20 DBED C=CCOCCN[C@H](C)[C@@H]1CN(C(=O)c2cn(C)nn2)CCO1 1755441404 FRCSEXCITUVFCN-OCCSQVGLSA-N 323.397 -0.163 30 20 DBED C#CCNC[C@H](C1CC1)N(C)C(=O)CCn1cc[nH]c(=O)c1=O 1755569157 IVJJDPCBVGMGIF-CYBMUJFWSA-N 318.377 -0.614 30 20 DBED C=C(C)CN[C@@H](CO)CNC(=O)c1ccc2nnc(O)n2c1 1755641801 JBKZBNBSHVUETQ-LLVKDONJSA-N 305.338 -0.309 30 20 DBED C#CCCNC[C@@H]1CC[C@H](NC(=O)CS(=O)(=O)N(C)C)C1 1755746180 GPKMTGVGIPZMRJ-OLZOCXBDSA-N 315.439 -0.224 30 20 DBED C=C[C@](C)(O)CC(=O)N(C)C[C@H](O)CN(C)Cc1cnon1 1755800161 FHZYHHQLCHYIIH-OCCSQVGLSA-N 312.370 -0.352 30 20 DBED C#Cc1ccc(C(=O)N[C@@H](C)CCCNC(=O)CC(N)=O)nc1 1756328405 SBJJZEFVLWYNDD-NSHDSACASA-N 316.361 -0.047 30 20 DBED C=CCCOCC(=O)N[C@@H](C)CN(C)C(=O)c1cn(C)nn1 1756447453 ANEXZQGEFKCHPG-NSHDSACASA-N 309.370 -0.016 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@H](O)[C@H](NC(=O)Cc2ccco2)C1 1757202156 IVGQBAMURFRCHE-BNOWGMLFSA-N 320.345 -0.452 30 20 DBED NS(=O)(=O)CCNN=Cc1ccn([C@H]2C[C@H](C(=O)O)C2)n1 1776047171 YIZNIZQBBOLQHQ-CZMCAQCFSA-N 315.355 -0.869 30 20 DBED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc(O)[nH]3)C[C@@H]21 1790792484 CHOCCCRSQBREGT-NHCYSSNCSA-N 318.333 -0.658 30 20 DBED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)C)C2 1802020188 VYGYQCPZVBOIDG-YWVIFJGQSA-N 307.394 -0.449 30 20 DBED N#CC1(C(=O)N2CC3(CCCN3C(=O)Cn3cncn3)C2)CC1 1843080083 MKFYUVNSHLRTSU-UHFFFAOYSA-N 314.349 -0.215 30 20 DBED C=CCNC(=O)[C@H](C)OC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O 26593241 MRSMMBDPLHTBMZ-BJOHPYRUSA-N 323.349 -0.059 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@@H](C)O[C@H](C)C2)C1=O 58638614 CTXQESWGLUEIBX-NXEZZACHSA-N 309.322 -0.401 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H](C)N(C)C2CC2)C1=O 69533837 ISHUYUBOEBPOLY-JTQLQIEISA-N 322.365 -0.438 30 20 DBED CCOC(=O)C[C@@H](C)CNc1c(C#N)c(=O)n(C)c(=O)n1C 89650351 BKIJHKSAOHOVPV-SECBINFHSA-N 308.338 -0.043 30 20 DBED N/C(=N\OCC(=O)N1CCN(C(=O)C2CC2)CC1)C(F)(F)F 90990668 FYRWSEGDRPDGDM-UHFFFAOYSA-N 322.287 -0.082 30 20 DBED C=CCN(CCN1C(=O)CCC1=O)[C@@H]1CCS(=O)(=O)C1 121176422 WXRDFIOZXYUNDB-LLVKDONJSA-N 300.380 -0.190 30 20 DBED CC(=O)c1cn(CC(=O)N[C@@](C)(C#N)C2CC2)c(=O)n(C)c1=O 134561743 GSYXDOHOBRBHRI-HNNXBMFYSA-N 318.333 -0.442 30 20 DBED CC(=O)NCCCNC(=O)CNC(=O)c1ccc(C#N)cc1 263791685 NPJRTWWFSSKZNW-UHFFFAOYSA-N 302.334 -0.070 30 20 DBED Cn1c(NC[C@H](O)Cc2ccccc2)c(C#N)c(=O)n(C)c1=O 264078689 HMPNZFRWJJSUJA-GFCCVEGCSA-N 314.345 -0.029 30 20 DBED N#Cc1ccc([N+](=O)[O-])c(N2CCN(S(N)(=O)=O)CC2)c1 274371574 YYBODUCBYYMKAJ-UHFFFAOYSA-N 311.323 -0.208 30 20 DBED CCOC(=O)CO/N=C(/C(=O)NCCCCO)c1cc[nH]n1 279282873 IQVHIYALENLKRU-SFQUDFHCSA-N 312.326 -0.418 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCCn2ccnc2)C1=O 283908652 LECPLJLJDBGXJZ-LBPRGKRZSA-N 319.365 -0.755 30 20 DBED COCCN1CCN(S(=O)(=O)c2cncc(C#N)c2)CC1=O 289471035 NCJLHMLGUAOQCB-UHFFFAOYSA-N 324.362 -0.567 30 20 DBED CS(=O)(=O)NC[C@H]1CCCN(/C(O)=N/[C@@H]2[C@H]3COC[C@H]32)C1 330003457 ZRORCRFWOQKKDS-WYUUTHIRSA-N 317.411 -0.194 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1CCC[C@](C)(O)C1 330376965 POONHYSWXKQZDA-LBPRGKRZSA-N 305.400 -0.060 30 20 DBED CC(C)C(=O)NCC/N=C(/O)NCC(=O)N1CCOCC1 330675158 HBUYDZAEYCSGPE-UHFFFAOYSA-N 300.359 -0.879 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CC[C@@H](NC(=O)NC)C1 336934117 DNYNMTSYDFATAW-WDEREUQCSA-N 317.415 -0.284 30 20 DBED CN(C[C@@H]1CCC[C@@H]1O)S(=O)(=O)N1CCO[C@H](C#N)C1 336955400 YLRSYZVZYQZGEU-TUAOUCFPSA-N 303.384 -0.452 30 20 DBED C[C@H](NS(=O)(=O)N1CCO[C@H](C#N)C1)C(=O)N1CCCC1 337255546 SWQNPUGTOXDWCN-WDEREUQCSA-N 316.383 -0.944 30 20 DBED C[C@H](O)C[C@@H]1COCCN1C(=O)C(=O)Nc1ccc(C#N)cn1 340346378 VRFLDJOOSZYRNX-CMPLNLGQSA-N 318.333 -0.110 30 20 DBED N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(CCO)CCO 341224300 ZKFUWCNXSZTNDW-UHFFFAOYSA-N 315.307 -0.558 30 20 DBED C=CCOCC(=O)N(CCN(C)C)[C@@H]1CCS(=O)(=O)C1 343719760 FPDNQPQUFRDUMW-GFCCVEGCSA-N 304.412 -0.234 30 20 DBED N#CCNC(=O)CNC(=O)NCCc1cn2ccccc2n1 343893022 HXDPQTONYQIQMT-UHFFFAOYSA-N 300.322 -0.184 30 20 DBED C=C[C@H](CO)NS(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O 349815278 XPCIUKVAZSEKKS-MRVPVSSYSA-N 310.331 -0.262 30 20 DBED COCCN(C)CCN1C[C@@H](NC(=O)C2(C#N)CCC2)CC1=O 354141432 LXSFYRXBBMDNEB-ZDUSSCGKSA-N 322.409 -0.024 30 20 DBED COCCC(=O)N1CCN([C@H](C)C(=O)N(C)CCC#N)CC1 355725814 GYKAVGKWKYLELT-CYBMUJFWSA-N 310.398 -0.072 30 20 DBED CN1CC[C@](O)(CNC(=O)C(=O)Nc2cccc(C#N)c2)C1 358132389 YBUWPWRDJDDDRH-HNNXBMFYSA-N 302.334 -0.320 30 20 DBED C[C@@H](C(=O)N(C)CCC#N)N1CCC[C@@H](CS(N)(=O)=O)C1 358181696 BAMCYLWYAQHHJW-NWDGAFQWSA-N 316.427 -0.253 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N1CCCNC(=O)[C@@H]1C 372690015 NDEUPFHKGCPTOV-JTQLQIEISA-N 303.384 -0.493 30 20 DBED CC(C)[C@@]1(CO)CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)C1 377962493 CRPVQDBEIHXGCN-HNNXBMFYSA-N 306.366 -0.200 30 20 DBED COC(=O)[C@H](CC1CC1)NS(=O)(=O)N1CCO[C@@H](C#N)C1 416598125 ZLBIDLUKCNQCRD-QWRGUYRKSA-N 317.367 -0.613 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N1C[C@H](CO)OC(C)(C)C1 420747168 JXRKWBBDABYVIN-GHMZBOCLSA-N 305.400 -0.063 30 20 DBED C=CCOC[C@@H](NC(=O)[C@H](C)N1CCN(C)CC1)C(=O)OC 435951319 WJZHZGJXGSICQR-QWHCGFSZSA-N 313.398 -0.517 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@]2(C)CCOC2)C1=O 522174089 FWWXNLRZKAXCRN-AWEZNQCLSA-N 309.322 -0.494 30 20 DBED COC(=O)CC[C@H](NS(=O)(=O)N(C)C[C@H](C)C#N)C(=O)O 569224481 AMNNVPIQZXJGLO-BDAKNGLRSA-N 321.355 -0.681 30 20 DBED COCCNC(=O)Cn1cc(N=c2nc[nH]cc2C#N)cn1 569452720 JBXCJWCZJWOZSC-UHFFFAOYSA-N 301.310 -0.527 30 20 DBED C[C@@H]1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)C[C@@H]1C(=O)O 572879569 NBAQWLDGKMPANL-SCZZXKLOSA-N 306.322 -0.497 30 20 DBED Cc1cc(C#N)cnc1C(=O)NCCCN1C(=O)CNC1=O 576296088 BLSWRBXCUALOOZ-UHFFFAOYSA-N 301.306 -0.067 30 20 DBED CCN(C[C@H](C)C#N)C(=O)[C@H]1CCCN(S(N)(=O)=O)C1 596824365 WCSXDTJNRCNDED-MNOVXSKESA-N 302.400 -0.090 30 20 DBED C[C@@H](N)[C@@H]1CCCN(C(=O)C(=O)N2CCN(CCC#N)CC2)C1 601580788 DHYFQXOZVCJBOI-ZIAGYGMSSA-N 321.425 -0.370 30 20 DBED CC#CC[C@H](CO)NC(=O)Cc1c(C)nc2nc(=N)[nH]n2c1C 649238674 GDGLBBVHKURGRE-LLVKDONJSA-N 316.365 -0.413 30 20 DBED C=CC[C@H](CO)CNC(=O)Nc1nc(CS(C)(=O)=O)no1 680910719 BWVLWISFHITOJY-QMMMGPOBSA-N 318.355 -0.080 30 20 DBED C=CCN(CCC(=O)NCC(=O)O)[C@@H]1CCS(=O)(=O)C1 736108775 RVDSITNWKOVLAX-SNVBAGLBSA-N 304.368 -0.748 30 20 DBED C[C@@H]1CN(c2nccnc2C#N)CCN1CC(=O)NCCC#N 756911407 RYGYNABQBRJUCS-GFCCVEGCSA-N 313.365 -0.111 30 20 DBED CN(CCC#N)S(=O)(=O)NC[C@@H]1COC2(CCOCC2)O1 776874998 KJHAEMGKJHNKPU-LLVKDONJSA-N 319.383 -0.412 30 20 DBED C#CCOCCNC(=O)N1CCC[C@H](S(=O)(=O)NC)C1 784552865 XSZPGDFUYPCOQR-NSHDSACASA-N 303.384 -0.641 30 20 DBED C#CCC[C@H](O)CNC(=O)NCCCN(C)S(C)(=O)=O 798366052 HSFVLGPFCKTZMR-NSHDSACASA-N 305.400 -0.659 30 20 DBED CC[C@@](C)(C#N)C(=O)OCc1nc2c(=O)n(C)c(=O)n(C)c2[nH]1 803784278 NSPGXAUWYDHURO-AWEZNQCLSA-N 319.321 -0.057 30 20 DBED C#C[C@H](NC(=O)C(=O)NC[C@H](C)N(C)C1CC1)[C@H]1CCCO1 804429160 FUZJRGXXIUWWRA-FPMFFAJLSA-N 307.394 -0.118 30 20 DBED CN(C)c1c(C=NOC[C@@H]2CCOC2)c(=O)n(C)c(=O)n1C 807984107 GPONIAZUCJMZIP-SNVBAGLBSA-N 310.354 -0.463 30 20 DBED C=CCN(CC(=O)OCC)C(=O)c1nc(N)nc(N(C)C)n1 816955823 NEIMWESAKMFEKB-UHFFFAOYSA-N 308.342 -0.289 30 20 DBED C#C[C@H](NC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1)[C@@H]1CCCO1 832419396 XXFHOABMZXXZPP-WOPDTQHZSA-N 315.395 -0.801 30 20 DBED C#CCN1CCN(C(=O)CN(C)[C@@H](COCC)C(=O)O)CC1 833365149 YHPNUSALDIRQDI-ZDUSSCGKSA-N 311.382 -0.815 30 20 DBED C[C@H](CN)CNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 834341190 OSFZLCDTNQFHKM-SNVBAGLBSA-N 324.406 -0.174 30 20 DBED N#C[C@H](C(=O)Cn1nc2n(c1=O)CCCC2)C(=O)N1CCCC1 845441261 XMWZMJSSPXRJBK-LLVKDONJSA-N 317.349 -0.288 30 20 DBED CC1=C(C(=O)N[C@@H]2CCCN(O)C2=O)S(=O)(=O)CCO1 848135916 JFSKOBHUIKEORU-MRVPVSSYSA-N 304.324 -0.841 30 20 DBED C#CC[C@@H](CO)NC(=O)c1ccc(OCC(=O)NC)c(OC)c1 854547507 WPFCWACINNGCKP-LBPRGKRZSA-N 320.345 -0.066 30 20 DBED Cn1nc(NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)ccc1=O 879897575 MUHFEAJGYVAVPM-NSHDSACASA-N 302.338 -0.016 30 20 DBED C#CCN1CCC[C@H](NS(=O)(=O)N(C)CCC(=O)OC)C1 885512174 SWKUTVVTGXBPMN-LBPRGKRZSA-N 317.411 -0.587 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2[C@@H]3CCC(=O)[C@H]32)CC1 906581300 WHSBKRFFDSEQRN-UHOFOFEASA-N 317.389 -0.505 30 20 DBED C=CCCOCCNC(=O)C(=O)NCC1CC2(C1)OCCO2 930296600 QRSWBIDIFJFKDW-UHFFFAOYSA-N 312.366 -0.035 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](NC(=O)c2cncc(C(N)=O)c2)C1 940578300 QUNAEZFSJKAXSS-JOYOIKCWSA-N 315.333 -0.329 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@H](C)OC)C1 941237877 LHCWFFBXEOWZRE-MJBXVCDLSA-N 307.394 -0.164 30 20 DBED O=C(N[C@@H]1CCN(C(=O)C#CC2CC2)C1)[C@@H]1CCS(=O)(=O)C1 941503496 LUMIXQLDMNPITA-CHWSQXEVSA-N 324.402 -0.448 30 20 DBED C#Cc1cncc(C(=O)NC[C@H]2CCCN2C(=O)C(N)=O)c1 944245820 FOTLGEDTYMPZAV-GFCCVEGCSA-N 300.318 -0.731 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)C(N)=O)[C@H](C)C2)cn1 945428958 LQXKWCXXZHFJBW-MFKMUULPSA-N 314.345 -0.485 30 20 DBED CO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1NC(=O)Cc1ncc[nH]1 946435739 ZIQFSHBYJQRMKT-HBNTYKKESA-N 305.338 -0.546 30 20 DBED C=CCN1CC(N(CC)C(=O)c2c[nH]nc2S(N)(=O)=O)C1 951722412 DARBFOYDJLFNOL-UHFFFAOYSA-N 313.383 -0.611 30 20 DBED C[C@H](C#N)C(=O)N1CC(N(C)C(=O)C[C@H]2CCC(=O)NC2)C1 954452803 ICTDPHBIFFPQHM-GHMZBOCLSA-N 306.366 -0.268 30 20 DBED C[C@H]1CCN(C(=O)C(=O)N(C)C2CN(C(=O)[C@@H](C)C#N)C2)C1 955382217 AVAIBZCNQIDGOE-QWRGUYRKSA-N 306.366 -0.316 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1(C)CCN(C(=O)CC(N)=O)CC1 956502557 YJVFXQGWRKEVAC-NEPJUHHUSA-N 323.393 -0.050 30 20 DBED CN1CCOC[C@@H]1C(=O)N[C@@]1(C)CCN(C(=O)C#CC2CC2)C1 956838462 FFJYFAXYOURWPV-PBHICJAKSA-N 319.405 -0.162 30 20 DBED C=CCCN1C[C@H](O)[C@H](CNC(=O)c2cccn3nnnc23)C1 958092767 XVYSEGSTTCAJBH-YPMHNXCESA-N 316.365 -0.277 30 20 DBED C#CCCN1C[C@H](CNC(=O)c2nnn(CC)c2CC)[C@@H](O)C1 958403484 GDUKBNIDFYZEFH-JSGCOSHPSA-N 319.409 -0.094 30 20 DBED Cc1cncn1CC(=O)N(C)[C@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1O 958894343 WWVZQNDJFXBDRF-WXHSDQCUSA-N 319.365 -0.619 30 20 DBED Cc1nnc(CC(=O)N2C[C@H]3CN(C(=O)[C@@H](C)C#N)C[C@H]3C2)o1 961508917 JMJVMEULQYTJAR-ZMLRMANQSA-N 317.349 -0.003 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)c2cccc(O)n2)C1 962073286 WFVDILLIBKYQGE-GDPRMGEGSA-N 304.306 -0.752 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H]2CCCN(C(=O)C(N)=O)CC2)c1 964825392 URENZWPZJCCWLC-JTQLQIEISA-N 303.322 -0.517 30 20 DBED CCN(C(=O)[C@H]1CCNC(=O)C1)C1CN(C(=O)C#CC2CC2)C1 967871523 SYJXEZPGIFOZES-ZDUSSCGKSA-N 317.389 -0.015 30 20 DBED C[C@@H](NC(=O)c1cc(C#N)c[nH]1)C1CN(CCS(C)(=O)=O)C1 969463654 RCXBWHYEINZEBR-SNVBAGLBSA-N 324.406 -0.019 30 20 DBED C[C@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)[C@H]1COCCO1)C2 969803798 CXIOIEJLXZYYGG-MROQNXINSA-N 307.350 -0.237 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@@]3(CN(CCO)CCO3)C2)[nH]1 972337756 AGYLITZTAACIGF-OAHLLOKOSA-N 304.350 -0.204 30 20 DBED CC#CCN1CCO[C@@]2(CCN(C(=O)C[C@@H]3CCC(=O)N3)C2)C1 972595589 CRWLOMKSTQJBFN-YOEHRIQHSA-N 319.405 -0.018 30 20 DBED C=CCn1cc(C(=O)N[C@H]2[C@@H]3CN(C(=O)COC)C[C@@H]32)nn1 976525213 RGUVOGFHYQUAEZ-IWIIMEHWSA-N 305.338 -0.703 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)c3cc(=O)n(C)cn3)[C@H]2C1 976746701 GIBHKXDEHYVPOZ-QISWUMQESA-N 315.333 -0.873 30 20 DBED N#Cc1ccc(C(=O)N2C[C@H]3[C@H](NC(=O)c4nc[nH]n4)[C@H]3C2)[nH]1 976981086 LRLNRRXOZWBFAC-JZYVYDRUSA-N 311.305 -0.495 30 20 DBED C#CCN1C[C@H]2C(CNC(=O)[C@@H]3Cc4cncn4C(=O)N3)[C@@H]2C1 978504500 AJFZYXUUCWFGTK-IHRRRGAJSA-N 313.361 -0.707 30 20 DBED C#CCN1C[C@H]2C[C@@H](NC(=O)CN3CC(=O)NC3=O)CC[C@H]2C1 980189201 AZASXWCFBUPANU-XQQFMLRXSA-N 318.377 -0.612 30 20 DBED C=CCN1CCCC2(C1)CN(C(=O)CN1CCN(C)C(=O)C1)C2 981857409 XDTOHPRCYZVWMB-UHFFFAOYSA-N 320.437 -0.129 30 20 DBED C#CCN1C[C@@]2(C)CN(C(=O)C[C@@H]3CC(=O)NC3=O)C[C@@]2(C)C1 982854631 NLJFRANDEJDRRC-AFAVFJNCSA-N 317.389 -0.157 30 20 DBED C#CCN1CC[C@@]2(NC(=O)c3cn(CC(N)=O)nn3)CCC[C@@H]12 992525270 KPZBXZOCIPODMC-DOMZBBRYSA-N 316.365 -0.877 30 20 DBED CC#CCN1CCC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)[C@H]1C 994491811 YNUMWEBGGPLQHX-VXGBXAGGSA-N 318.381 -0.631 30 20 DBED N#Cc1cc(C(=O)NCC2CN(C(=O)Cn3ccnc3)C2)c[nH]1 1001516325 WTMBKUMHWNUMLR-UHFFFAOYSA-N 312.333 -0.029 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H]2C[C@@H]3CN(C(=O)C(N)=O)C[C@]2(C1)O3 1001652030 NORGXCLSEMBNML-GLKRBJQHSA-N 321.377 -0.488 30 20 DBED C[C@H]1CCN(C(=O)C#CC2CC2)C[C@H]1NC(=O)c1nnn(C)n1 1005143318 HWFYVLSMIROTTM-CMPLNLGQSA-N 316.365 -0.410 30 20 DBED CC#CCN1CCC[C@H](NC(=O)[C@H]2CN(C(C)=O)CCO2)C1 1009381227 BMFDJLCDGMOLFB-LSDHHAIUSA-N 307.394 -0.162 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CCN([C@H]3CCCNC3=O)C2)c[nH]1 1010685862 AYGXYUSFODJJOC-YPMHNXCESA-N 301.350 -0.031 30 20 DBED O=C(C#CC1CC1)N1CCN(C(=O)Cn2cnnc2O)CC1 1011028564 FLDAGSWGUBYSOY-UHFFFAOYSA-N 303.322 -0.932 30 20 DBED N#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CCCS1(=O)=O 1017601879 NPKZWFNHAWYSLC-TXEJJXNPSA-N 312.395 -0.779 30 20 DBED NC(=O)CC(=O)N1CC[C@@H]2OCCN(C(=O)C#CC3CC3)[C@@H]2C1 1019864659 TXOJPUPOXZRNNZ-OLZOCXBDSA-N 319.361 -0.897 30 20 DBED C=CCN1CC[C@@H](N[C@H]2C[C@@H](NC(=O)[C@H]3COCCO3)C2)C1=O 1021854688 NAMTWPGJYDLNQD-XJFOESAGSA-N 323.393 -0.575 30 20 DBED C#CCN1CCC(C(=O)N[C@H]2C[C@@H](N[C@@H](CC)C(N)=O)C2)CC1 1023128169 SGLZDZXJUCQXEL-ZNMIVQPWSA-N 320.437 -0.168 30 20 DBED Cc1cc(CC(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2O)n[nH]1 1023359238 BFAHPMUDUSYDKZ-ZIAGYGMSSA-N 316.361 -0.638 30 20 DBED Cc1cc(C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2O)cnn1 1023524634 VMEFPDKIDSFVRC-ZIAGYGMSSA-N 314.345 -0.500 30 20 DBED C=CCN[C@@H]1CC[C@H]2CN(C(=O)CN3C(=O)CNC3=O)C[C@@H]21 1026415949 OHLMEQXRQJXQCT-SDDRHHMPSA-N 306.366 -0.449 30 20 DBED O=C1NC[C@H](C(=O)NCC2CN(CC#Cc3ccccc3)C2)N1 1031944771 DYXMRROKVSTDFF-OAHLLOKOSA-N 312.373 -0.233 30 20 DBED C=CCCn1cc(C(=O)NCC2CN([C@H](CC)C(N)=O)C2)nn1 1032042255 WILRSUDIJQEREF-CYBMUJFWSA-N 320.397 -0.220 30 20 DBED C#CCN1CC[C@@H](N(C)C(=O)c2cc(=O)n3[nH]cnc3n2)C1 1033584010 SEDXWUJSOOFLTD-SNVBAGLBSA-N 300.322 -0.803 30 20 DBED N#CCN1CCC2(CCN(C(=O)Cn3c(O)nnc3O)CC2)C1 1035250090 IKFZGVAFBXNFAZ-UHFFFAOYSA-N 320.353 -0.473 30 20 DBED C#CCCCC(=O)NC[C@@]1(O)CCN(C(=O)[C@H](C)NC(C)=O)C1 1039568130 ALVKAZNUYUNZPD-LRDDRELGSA-N 323.393 -0.606 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@]1(O)CCN(C(=O)c2ccc[nH]2)C1 1039722442 WHIIZADXFSRHIW-BLLLJJGKSA-N 319.361 -0.254 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1040609267 NVLBQRRFCYYVEK-RSPOJEKHSA-N 307.350 -0.882 30 20 DBED Cc1ncoc1C(=O)N1CC[C@@](O)(CNC(=O)[C@@H](C)C#N)C1 1040763158 NWOVLNJEILYZNV-LKFCYVNXSA-N 306.322 -0.164 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)CCSC)C1 1041374696 QVMIZVLLENMCMV-UHFFFAOYSA-N 314.407 -0.531 30 20 DBED Cc1nn(CC(=O)N2CC[C@@]3(CCN(CC#N)C3)C2)c(=O)n1C 1041812378 YWXYLYYFYIOTPY-OAHLLOKOSA-N 318.381 -0.662 30 20 DBED C#CCN1CC[C@]2(CCN(C(=O)CC[C@H]3NC(=O)NC3=O)C2)C1 1041824176 UAZWLUVIGUWFQA-WBMJQRKESA-N 318.377 -0.468 30 20 DBED C[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1NC(=O)c1cnnn1C 1041871082 GRVXSULYBQOETQ-MWLCHTKSSA-N 312.337 -0.269 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)CCc2cnn[nH]2)C1 1041963604 UZPFYKPZHJQAQQ-UHFFFAOYSA-N 307.354 -0.607 30 20 DBED O=C(C[C@@H]1COC(=O)C1)NCC1(O)CN(C(=O)C#CC2CC2)C1 1042555169 SYWYFXAFAOBRKI-LBPRGKRZSA-N 320.345 -0.958 30 20 DBED Cn1cc(C(=O)N[C@@H]2CN(c3ccc(C#N)nc3)C[C@@H]2O)cn1 1043852318 DGHDXAZMBWDSAS-KGLIPLIRSA-N 312.333 -0.334 30 20 DBED C#CCN1CCC(C(=O)N(C)C2CN([C@H](C)C(N)=O)C2)CC1 1044333397 PWCYVLSMDIGTFW-GFCCVEGCSA-N 306.410 -0.652 30 20 DBED N#CCN1CC[C@@]2(CCCCN(C(=O)[C@@H]3CNC(=O)N3)C2)C1 1045961705 AEGRKRSYXHSVIA-WFASDCNBSA-N 305.382 -0.104 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)[C@H]2CC23CC3)C1 1047148256 PANNICJOXYDJCT-VXGBXAGGSA-N 306.362 -0.486 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2c(OC)ccnc2O)C1 1047598940 XNQIDMLSAJRNPQ-RYUDHWBXSA-N 319.361 -0.064 30 20 DBED C=CCOCC(=O)N(C)[C@H]1CN(C(=O)c2n[nH]cc2C)C[C@@H]1O 1048554707 DODNKICLZGZBNZ-RYUDHWBXSA-N 322.365 -0.436 30 20 DBED C#CCCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cnon2)C1 1049289303 XANGSGPZANKNKA-STQMWFEESA-N 320.349 -0.093 30 20 DBED CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)CN1C(=O)CNC1=O 1049885431 NGILLZXFQOGFEN-QWHCGFSZSA-N 318.377 -0.373 30 20 DBED C#CCCN1CCOC[C@H]1CNC(=O)c1cnc(N(C)C)cn1 1050918830 ZQMWVJFAJAGQAH-CYBMUJFWSA-N 317.393 -0.004 30 20 DBED C[C@@H]1[C@@H](NC(=O)[C@H]2CNC(=O)N2)CCN1c1ncccc1C#N 1050952177 LWBBXVUGJJJTKY-ADEWGFFLSA-N 314.349 -0.282 30 20 DBED N#CCN1CCOC[C@@H]1CNC(=O)c1cccc2ncnn12 1051009994 OTDPODIJVGEGGG-NSHDSACASA-N 300.322 -0.317 30 20 DBED Cn1ncc2c1C[C@H](C(=O)NC[C@H]1COCCN1CC#N)CC2 1051085382 DZSVUWXBDLYACF-OCCSQVGLSA-N 317.393 -0.134 30 20 DBED N#Cc1c(F)cccc1N1CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C1 1051765597 BSKLOAMQJWREGE-PWSUYJOCSA-N 306.297 -0.762 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)CO[C@H]1CCOC1)CCO2 1053254912 VQHRUPHSRRRSQS-AWEZNQCLSA-N 308.378 -0.272 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)c3cnc(N(C)C)cn3)CO2)C1 1053801525 PVIQGRSGWXWZGE-GFCCVEGCSA-N 315.377 -0.251 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)c3cc(=O)n(C)cn3)CO2)C1 1053836917 VAMUZRXTBQGZMT-GFCCVEGCSA-N 316.361 -0.623 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)[C@@H]3CCCCN(C)C3=O)CO2)C1 1053980663 BGHXLZIOUCSGJP-KBPBESRZSA-N 319.405 -0.162 30 20 DBED N#Cc1cnc(N2CCN(C(=O)[C@@H]3COC(=O)N3)CC2)cn1 1055785196 BFMIUWHUDJTSIJ-JTQLQIEISA-N 302.294 -0.895 30 20 DBED C#CCOc1ncccc1C(=O)NCCN(CCO)C(C)=O 1056730008 SFEOSAGGMUBGCX-UHFFFAOYSA-N 305.334 -0.336 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)COC(C)(C)C 1057390267 VHMMQDHSDDJNCP-UHFFFAOYSA-N 316.398 -0.059 30 20 DBED COC[C@H](C)C(=O)NCCN(CCO)C(=O)c1c[nH]c(C#N)c1 1057391501 AHZHSZBUPKDGPG-NSHDSACASA-N 322.365 -0.280 30 20 DBED C=CC(C)(C)C(=O)NCCN(CCO)C(=O)c1ncn(C)n1 1057498830 MFKOMYBXQXKZCK-UHFFFAOYSA-N 309.370 -0.422 30 20 DBED Cc1cncn1CC(=O)N(CCO)CCNC(=O)C#CC(C)C 1058110962 DLCQMMGRZZSQSV-UHFFFAOYSA-N 320.393 -0.212 30 20 DBED N#Cc1nccc(N2CC[C@@H](NC(=O)[C@@H]3CCC(=O)N3)C2)n1 1058408486 JFZJUBYQIIYMQG-ZJUUUORDSA-N 300.322 -0.678 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)[C@H]1CCC(=O)N1C 1058483252 BALHEBQUQOTSIP-CYBMUJFWSA-N 323.393 -0.796 30 20 DBED N#Cc1cccnc1N1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1ncnn1 1058778369 XRZCQHDJTFWCOG-BETUJISGSA-N 324.348 -0.180 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)[C@@]1(C)CCNC1=O 1058838641 HKNYSHGAJGYYSK-INIZCTEOSA-N 323.393 -0.747 30 20 DBED C=CCOCC(=O)N1CC[C@@H](CCNC(=O)Cn2nccn2)C1 1059337451 IRLIUOVQLNOXII-CYBMUJFWSA-N 321.381 -0.165 30 20 DBED C[C@]1(C(=O)N[C@H]2C[C@H](Nc3ccc(C#N)nn3)C2)CNC(=O)C1 1059354937 AEEFNWXWCXTAJL-UEKVPHQBSA-N 314.349 -0.066 30 20 DBED N#Cc1ccc(NC[C@H]2CCN(C(=O)[C@H]3COC(=O)N3)C2)nn1 1060865989 ZKPZEWWOCCGSHZ-MWLCHTKSSA-N 316.321 -0.283 30 20 DBED N#Cc1nccnc1N1CC[C@@H](CNC(=O)[C@@H]2CCC(=O)N2)C1 1061625991 BHTIUDKVSZSDMZ-QWRGUYRKSA-N 314.349 -0.431 30 20 DBED Cn1nnc(C(=O)NC[C@H]2CCN(c3ccc(C#N)nc3)C2)n1 1061705942 LWSCULFRFMJZIH-SNVBAGLBSA-N 312.337 -0.267 30 20 DBED C#CCCCC(=O)N1CCOC[C@@H]1CNC(=O)[C@H]1CCNC1=O 1061747967 CSGDXIRBDZXVFS-STQMWFEESA-N 321.377 -0.730 30 20 DBED N#Cc1ccc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)Cn2ccnc2)nn1 1064269658 DSDDWXPLFRMCRT-GMXABZIVSA-N 309.333 -0.062 30 20 DBED Cc1ccc(C(=O)N2CCO[C@@H](CNC(=O)[C@@H](C)C#N)C2)nn1 1065138912 ZHJRNJNCZQAPFM-JQWIXIFHSA-N 317.349 -0.098 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)Cc2cnoc2)C1 1065561605 RKZWEDRWWMQIAF-PWSUYJOCSA-N 306.322 -0.280 30 20 DBED Cc1nn[nH]c1C(=O)N1C[C@H](C)[C@@H](N=c2cc[nH]c(C#N)n2)C1 1067181650 XXXNPKFLBDKYPS-WPRPVWTQSA-N 312.337 -0.231 30 20 DBED C#CCOCCC(=O)N(C)CCCN(C)C(=O)C1(C(N)=O)CC1 1067427792 PCWJYDRRMHKGFS-UHFFFAOYSA-N 323.393 -0.401 30 20 DBED N#Cc1nccnc1N1C[C@@H](O)[C@H](CNC(=O)c2cccnc2)C1 1067642811 LDAHNFQISRUABB-TZMCWYRMSA-N 324.344 -0.030 30 20 DBED N#Cc1nccnc1N1C[C@H](O)[C@H](CNC(=O)c2ccon2)C1 1067652313 BOIBHOFZOVLHJB-SKDRFNHKSA-N 314.305 -0.437 30 20 DBED N#Cc1cncc(N2C[C@@H](O)[C@@H](CNC(=O)c3cnco3)C2)n1 1067689164 RFCCIOZTFYBOIZ-GXSJLCMTSA-N 314.305 -0.437 30 20 DBED N#Cc1nc(=NCC2CC(NC(=O)[C@H]3CCNC3=O)C2)cc[nH]1 1067875580 GPPXEMYHWRSYHQ-ILDUYXDCSA-N 314.349 -0.787 30 20 DBED CCc1nc(C#N)cc(NCC2CC(NC(=O)C(N)=O)C2)n1 1067883136 GAHYBOFVYUQDFC-UHFFFAOYSA-N 302.338 -0.297 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCOC2(CN(C(=O)COC)C2)C1 1068395913 GIGDNRLEHLSYQY-LBPRGKRZSA-N 310.350 -0.889 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1COC2(C1)CN(C(=O)c1cncnc1)C2 1069003853 QEFGEHLOOWIKOC-ZYHUDNBSSA-N 315.333 -0.264 30 20 DBED C[C@@H](C#N)C(=O)N1Cc2ccccc2C[C@H]1CNC(=O)C(N)=O 1069684377 NYTIJTVJXXPGII-GWCFXTLKSA-N 314.345 -0.299 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@]2(CCCN(C(C)=O)C2)C1 1069693601 BIKCDNBBAYKLQB-INIZCTEOSA-N 305.378 -0.013 30 20 DBED C=CCN1C[C@H]2C[C@H]3CN(C(=O)[C@@H]4COCCO4)C[C@@]3(C1)O2 1070767431 YNBZBNDVPHNYFW-KNCOVGOOSA-N 308.378 -0.111 30 20 DBED Cn1cncc1C(=O)N1C[C@@H]2C[C@@H]3CN(CC#N)C[C@]2(C1)O3 1070821778 IZEUJOAIAXLXEJ-YWPYICTPSA-N 301.350 -0.141 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)CO[C@@H]2CCOC2)CC1 1070962376 QAULWOLCDMPBHC-CQSZACIVSA-N 323.393 -0.924 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)Cc2cncs2)CC1 1070971611 IOANIAILIVISBX-UHFFFAOYSA-N 320.418 -0.031 30 20 DBED CC(C)C#CC(=O)N1C[C@H](C)[C@@H](NC(=O)Cc2nc[nH]n2)C1 1072047206 AYXXUKXMRZWQFP-RYUDHWBXSA-N 303.366 -0.030 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)CS(C)(=O)=O 1072047915 HEIKYLWSZGGSRE-ZYHUDNBSSA-N 312.391 -0.593 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](C)[C@@H](NC(=O)c2nnn(C)n2)C1 1072051897 JSSDEJRIGZHOAA-MNOVXSKESA-N 304.354 -0.554 30 20 DBED C#CCOCCC(=O)N[C@H]1CN(C(=O)CCNC(N)=O)C[C@@H]1C 1072073849 GEITUELSZFKGCS-RYUDHWBXSA-N 324.381 -0.952 30 20 DBED C=C(C)CN1CCO[C@@H]2CCN(C(=O)Cn3ncnn3)C[C@H]21 1074241159 CWACDLSCVGFHON-CHWSQXEVSA-N 306.370 -0.449 30 20 DBED C=CCOCC(=O)N1CCC(O)(CNC(=O)c2cc[nH]n2)CC1 1074515866 QANGJDCQZWPKMM-UHFFFAOYSA-N 322.365 -0.304 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)C[C@@](C)(O)C=C 1076300922 YHZFBJGKJVHRJS-LRDDRELGSA-N 323.393 -0.536 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCCN2C(=O)CC)C1 1077044658 BZZPZGBWOHAIGJ-RBSFLKMASA-N 321.421 -0.038 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)c2cn3c(n2)COCC3)C1 1077230816 SYRHDJJSGWQLQX-DGCLKSJQSA-N 304.350 -0.789 30 20 DBED C=CCCC(=O)N[C@@H](C)CCNC(=O)CN1CC(=O)NC1=O 1077819279 OQMOGHQHWTZOQY-JTQLQIEISA-N 310.354 -0.485 30 20 DBED C#CCN[C@@H]1C[C@@H](NC(=O)Cn2ccc(O)nc2=O)C12CCC2 1078673525 ROPKQWRFIWFDNY-VXGBXAGGSA-N 316.361 -0.401 30 20 DBED C#CCN[C@H]1C[C@H]2CC[C@H]1N(C(=O)CN1CCN(C)C(=O)C1)C2 1078981390 QSSCGDCNJZYNSW-QLFBSQMISA-N 318.421 -0.637 30 20 DBED CCN(C(=O)C#CC1CC1)C1CN(C(=O)[C@H]2CN(C)CCO2)C1 1079737022 TYYTXJDQAKMJPT-OAHLLOKOSA-N 319.405 -0.210 30 20 DBED CC[C@@H](C(=O)NC1(CO)CCN(C(=O)[C@H](C)C#N)CC1)N(C)C 1080919569 HFSVVEGEISULJA-OLZOCXBDSA-N 324.425 -0.044 30 20 DBED C[C@H](C#N)C(=O)NC1(CO)CCN(C(=O)[C@@H]2CCOC2)CC1 1080979843 BZWWYLFIPDKBOE-VXGBXAGGSA-N 309.366 -0.348 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)COCCC)C[C@@H]1O 1081344877 WEGIQTTWXSTKLE-OLZOCXBDSA-N 314.382 -0.449 30 20 DBED C#CCCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2csnn2)C1 1081623051 GCAUHVOQUHCFDB-ZYHUDNBSSA-N 322.390 -0.109 30 20 DBED C#CCN1C[C@@H](NC(=O)c2nc(OC)cc(OC)n2)[C@H](OC)C1 1081855655 OBOSXCJPZKQOHQ-GHMZBOCLSA-N 320.349 -0.444 30 20 DBED C#CCN1CCC(C(=O)N2CCO[C@@H]3CN(CC#C)C[C@@H]32)CC1 1083283710 PCNVIFLXAGEITR-DLBZAZTESA-N 315.417 -0.124 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CN(Cc3nncs3)C[C@@H]2O)c[nH]1 1083418468 KYGAGINVEDSZDF-MNOVXSKESA-N 318.362 -0.287 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@H]2CCN(CCO)[C@H]2C1 1084961286 YZPLXFFKFRITCH-PMPSAXMXSA-N 305.422 -0.001 30 20 DBED C=C(C)CN1CC[C@H]1CN(C)C(=O)c1cn(CC(N)=O)nn1 1085986486 FKVJAEPKKHEZIP-NSHDSACASA-N 306.370 -0.514 30 20 DBED N#CCN1C[C@H]2CC[C@H]1[C@H]1CN(C(=O)Cn3cnnn3)C[C@@H]21 1087336332 ZWHVDXYTLCZDGV-VOAKCMCISA-N 301.354 -0.635 30 20 DBED Cn1nc(C2CC2)cc1C(=O)N[C@H]1CCN(CC#N)C[C@H]1O 1090294019 WNNMFISVGZRFSL-SMDDNHRTSA-N 303.366 -0.014 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2cn3c(n2)COCC3)[C@@H](O)C1 1090362384 WTWNJZUDSPHDRG-PWSUYJOCSA-N 305.338 -0.898 30 20 DBED C=CCN1CC[C@H](NC(=O)c2cc(C(N)=O)cn2C)[C@@H](O)C1 1090399125 LMTXWVDARYJZHQ-AAEUAGOBSA-N 306.366 -0.525 30 20 DBED N#CCN1CC[C@H](NC(=O)Cc2ccc(C(N)=O)cc2)[C@H](O)C1 1090840493 APHULRLPPLHWAA-UONOGXRCSA-N 316.361 -0.597 30 20 DBED CO[C@H](C)CCC(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@@H]1O 1091096634 WCAWXMSAHUZIRK-RTXFEEFZSA-N 319.365 -0.171 30 20 DBED N#Cc1nccc(N2C[C@@H]3CCC[C@]3(NC(=O)CC(N)=O)C2)n1 1093073934 YVVIBODAJFELJE-BONVTDFDSA-N 314.349 -0.301 30 20 DBED CCC(=O)NCC(=O)N1CCN(c2nc(C)cc(C#N)n2)CC1 1093150647 XFOLVVLNANVJIG-UHFFFAOYSA-N 316.365 -0.169 30 20 DBED N#Cc1nccnc1NCCNC(=O)c1cc(C(N)=O)ccn1 1093717511 NQYVCROJDCVNMI-UHFFFAOYSA-N 311.305 -0.316 30 20 DBED N#Cc1cncc(NCCNC(=O)COC[C@@H]2CCOC2)n1 1093866536 GHAIEMODICRKON-LLVKDONJSA-N 305.338 -0.071 30 20 DBED C[C@H]1C[C@H](C(=O)NCCNc2cncc(C#N)n2)CC(=O)N1 1093983377 YFXGFVOFRDIHRY-UWVGGRQHSA-N 302.338 -0.209 30 20 DBED CC#CCN1CC(n2cc(CNC(=O)c3n[nH]cc3F)nn2)C1 1094316128 HGHCHNVEEIAESW-UHFFFAOYSA-N 317.328 -0.050 30 20 DBED N#Cc1nc(=NCCCNC(=O)C(=O)NCC2CC2)cc[nH]1 1094544872 APECUSDFSWRXRW-UHFFFAOYSA-N 302.338 -0.785 30 20 DBED N#Cc1nc(=NCCCNC(=O)[C@H]2CCNC(=O)CC2)cc[nH]1 1094690216 YZCKXDIZCNNTJC-LLVKDONJSA-N 316.365 -0.395 30 20 DBED C#CCCN1CC(N2C[C@H](NC(=O)c3cn[nH]c3)CC2=O)C1 1094706844 GJOHIRFLOLNGMP-GFCCVEGCSA-N 301.350 -0.552 30 20 DBED CC#CCN1CC(N2C[C@H](NC(=O)c3cocn3)CC2=O)C1 1094715859 SGYVYIAVXCURDR-LLVKDONJSA-N 302.334 -0.287 30 20 DBED CC#CCN1CC(N2C[C@H](NC(=O)[C@@H]3CCN(C)C3)CC2=O)C1 1094815409 SBDKZMLPEWGGQB-ZIAGYGMSSA-N 318.421 -0.637 30 20 DBED C=CCCOCC(=O)N[C@H]1CCN(c2nccn3nnnc23)C1 1096393168 IFCYBELWCFTPLT-NSHDSACASA-N 317.353 -0.193 30 20 DBED C[C@H](CC(=O)N[C@H]1C[C@H](Nc2cncc(C#N)n2)C1)NC(N)=O 1097071765 PQLIPEIHRXQJFA-OPRDCNLKSA-N 317.353 -0.146 30 20 DBED CS(=O)(=O)CCC(=O)N[C@H]1C[C@@H](Nc2ccc(C#N)nn2)C1 1097265171 UZZOOQSDTXJSKU-PHIMTYICSA-N 323.378 -0.158 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H]1CCCN(c2ncccn2)C1 1097306310 SNXXCAATOFDGKE-CYBMUJFWSA-N 315.377 -0.051 30 20 DBED CCc1nc(C#N)cc(N[C@H](C)CNC(=O)CCNC(N)=O)n1 1097855158 HSDHECLAQZHSCP-SECBINFHSA-N 319.369 -0.114 30 20 DBED C#CCCN(CCO)C1CCN(C(=O)[C@H]2CC[C@H]2C(N)=O)CC1 1098447384 JNOSCBHXUVZRFK-CABCVRRESA-N 321.421 -0.194 30 20 DBED C#CCO[C@@H](C)C(=O)NCC[C@H](C)Nc1ccc2nnnn2n1 1099522655 UNFQIBXEXIBCPG-QWRGUYRKSA-N 317.353 -0.136 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)c2ccoc2C)[C@@H](O)C1 1099643818 BGWNJARAKZHPDW-KBPBESRZSA-N 319.361 -0.498 30 20 DBED C#CCCCCC(=O)N[C@H]1CCN(Cc2nc(O)n[nH]2)C[C@@H]1O 1099787720 ZOJBFMFGPYHRNZ-RYUDHWBXSA-N 321.381 -0.245 30 20 DBED CN(CCNC(=O)c1nnn(C)n1)c1ncc(C#N)cc1F 1100265556 JLEYKXVKQANFDJ-UHFFFAOYSA-N 304.289 -0.518 30 20 DBED CN(CCNC(=O)c1cc2n(n1)CCO2)c1ccnc(C#N)n1 1100382491 DPTAWCIUQLLLEC-UHFFFAOYSA-N 313.321 -0.197 30 20 DBED CCN(CCNC(=O)CCNC(N)=O)c1nc(C)cc(C#N)n1 1100529115 JOIARSBXNVBARR-UHFFFAOYSA-N 319.369 -0.342 30 20 DBED N#Cc1ccc(N2CCC[C@@H]2CNC(=O)Cn2ncnn2)cn1 1100867884 IGUVRYWYDCMZQY-GFCCVEGCSA-N 312.337 -0.275 30 20 DBED COC[C@H](OC)C(=O)NC[C@@H]1CCN(c2nccnc2C#N)C1 1101050591 LVZZWWQUXNQNIB-AAEUAGOBSA-N 319.365 -0.048 30 20 DBED Cc1nc(O)nc(O)c1CC(=O)NC[C@@H]1CN(CC#N)C[C@H]1C 1102479120 AKLUHDXHZZFICJ-MWLCHTKSSA-N 319.365 -0.054 30 20 DBED CC[C@H](CNC(=O)[C@H]1COC(=O)N1)Nc1ccc(C#N)nn1 1103053434 UNRMVZTXYYOJOH-PSASIEDQSA-N 304.310 -0.237 30 20 DBED CC[C@H](CNC(=O)[C@H]1CNC(=O)N1)Nc1cnc(C#N)cn1 1103277991 SGVBBEUEZCLSNX-PSASIEDQSA-N 303.326 -0.664 30 20 DBED C[C@H](CNC(=O)CS(C)(=O)=O)CNc1ccc(C#N)nn1 1103868752 TXSLNCSVCLTTNU-VIFPVBQESA-N 311.367 -0.443 30 20 DBED C[C@H](NC(N)=O)C(=O)NC[C@H](C)CNc1cncc(C#N)n1 1103935039 QNJYCBCGHILABR-BDAKNGLRSA-N 305.342 -0.431 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)[C@H]1CCC(=O)N1C 1104174265 WUDDGNOTOSPYPU-WDEREUQCSA-N 316.365 -0.445 30 20 DBED N#Cc1nc(=NC[C@@H](O)CNC(=O)C[C@@H]2CCOC2)cc[nH]1 1105760711 XLKIQCLUTAAMPI-WDEREUQCSA-N 305.338 -0.914 30 20 DBED CN1CCO[C@@H](C(=O)NC[C@H](O)CNc2ncccc2C#N)C1 1105770203 WMTKEWBKFNFVSO-CHWSQXEVSA-N 319.365 -0.827 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@H](O)CNc1nc[nH]c2ncnc1-2 1105806411 WNCXTQPNCVHLSZ-YMTOWFKASA-N 320.353 -0.479 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)Cn2cncn2)cn1 1105838739 CINSOGXDVXYIAG-GFCCVEGCSA-N 301.310 -0.866 30 20 DBED Cc1nsc(NC[C@H](O)CNC(=O)c2cnn(C)n2)c1C#N 1105897256 BFNCLTJCRILESS-MRVPVSSYSA-N 321.366 -0.346 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](O)CNC(=O)Cc2ncc[nH]2)n1 1105937092 DBQUPZNJYBCOJV-NSHDSACASA-N 315.337 -0.489 30 20 DBED C[C@@]1(C(=O)NC[C@@H](O)CNc2ccc(C#N)cn2)CNC(=O)C1 1106028806 YITKPNAIJPSPEM-NHYWBVRUSA-N 317.349 -0.632 30 20 DBED C[C@@H]1[C@H](C(=O)NC[C@@H](O)CNc2nccnc2C#N)CCN1C 1106153103 PZUFRPPNCDSJFK-GRYCIOLGSA-N 318.381 -0.423 30 20 DBED C[C@@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)[C@@H](C)n1cncn1 1106278461 VYMJOQAYPNICQH-WDEREUQCSA-N 314.353 -0.070 30 20 DBED N#Cc1nc(=NC/C=C\CNC(=O)Cc2cncnc2)cc[nH]1 1107171841 IFFHKPNBOMIJBZ-UPHRSURJSA-N 309.333 -0.113 30 20 DBED C=CCN1CC(n2cc(CNC(=O)[C@]3(C)CCNC3=O)nn2)C1 1107210866 GWAWBBNJWHPZRX-OAHLLOKOSA-N 318.381 -0.537 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)Cn2cccc(C)c2=O)C1 1107944317 QUTLIMBSCAKESL-QGZVFWFLSA-N 317.389 -0.003 30 20 DBED C[C@H](CNc1ccc(C#N)nn1)NC(=O)[C@@H]1CC(=O)N(C)C1 1108177534 ACHISOOFQXHMND-NXEZZACHSA-N 302.338 -0.257 30 20 DBED C[C@H](CNc1nccnc1C#N)NC(=O)c1cc(=O)n(C)cn1 1108185606 AEAXWONDTRHLRW-SECBINFHSA-N 313.321 -0.328 30 20 DBED CC#CCN1CCO[C@](C)(CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 1108210611 BTXCYWLMNNQFPM-WOSRLPQWSA-N 323.393 -0.750 30 20 DBED C=CCCN1CC(N2C[C@H](NC(=O)[C@H](O)C(C)C)CC2=O)C1 1108542712 LQZKSZGEJGDKLY-IUODEOHRSA-N 309.410 -0.019 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)C(=O)NCC(F)F 1108599881 ZKFOSGITVDBECS-ZETCQYMHSA-N 312.280 -0.932 30 20 DBED C[C@@H](CN(C)c1cnc(C#N)cn1)NC(=O)[C@@H]1CN(C)CCO1 1108905545 LZIBXSSNVJDWPT-AAEUAGOBSA-N 318.381 -0.380 30 20 DBED COC[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1109057678 RMCPQVINHBLCFP-RNJOBUHISA-N 308.382 -0.370 30 20 DBED CN(CCCN=c1cc[nH]cc1C#N)C(=O)c1nnn(C)n1 1109588074 MYNKFKFWYNZUOT-UHFFFAOYSA-N 300.326 -0.527 30 20 DBED C=CCNC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CNC(C)=O 1110244966 WOHBQOFGCDHUPD-ZRJCITRHSA-N 322.409 -0.465 30 20 DBED CN(C)CCC(=O)NC[C@]1(O)CCN(c2ccnc(C#N)n2)C1 1111124702 RVAOUKJPQUATMQ-OAHLLOKOSA-N 318.381 -0.643 30 20 DBED CCN(CC)CC(=O)N(CCO)CCN=c1cc[nH]c(C#N)n1 1111481135 ZYIOLYVMCLVYGD-UHFFFAOYSA-N 320.397 -0.655 30 20 DBED Cc1nsc(NCCN(CCO)C(=O)c2cnn[nH]2)c1C#N 1111585759 LFHHZPWFMZESQC-UHFFFAOYSA-N 321.366 -0.012 30 20 DBED CCCOCC(=O)NC[C@H]1CN(c2ccnc(C#N)n2)C[C@H]1O 1112709068 DWCJPAWTMKKBEL-NWDGAFQWSA-N 319.365 -0.312 30 20 DBED C#CCCCC(=O)N1CCN(CCN2C(=O)CNC2=O)CC1 1112809671 NQPHBNLHOIWVRD-UHFFFAOYSA-N 306.366 -0.514 30 20 DBED C#CCOCCC(=O)N1CCN(Cc2cn(CC)nn2)CC1 1112845181 XUNPFDYVFKAZBI-UHFFFAOYSA-N 305.382 -0.018 30 20 DBED C[C@@H](N=c1cc[nH]cc1C#N)[C@@H](C)NC(=O)Cn1cnnn1 1112904988 GRPAGWYYSPILKY-NXEZZACHSA-N 300.326 -0.633 30 20 DBED C[C@@H](NC(=O)Cn1nccn1)[C@@H](C)Nc1cnc(C#N)cn1 1113173048 IPXRTXGAGGWOGG-NXEZZACHSA-N 300.326 -0.055 30 20 DBED CCN1CC[C@H](N2C[C@H]3[C@H](NC(=O)CSCC#N)[C@H]3C2)C1=O 1113896710 HEZBHGUBLBFIBS-KZVDOYCCSA-N 322.434 -0.090 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)CCCC(=O)NC)[C@H]2C1 1114169107 ATNWFJJDJOHPGW-ATCWAGBWSA-N 322.409 -0.749 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H]1[C@@H]2CN(CC(=O)N3CCC3)C[C@@H]21 1114270667 JBDRIQDINMJWRM-CXTNEJHOSA-N 305.378 -0.697 30 20 DBED C=CCOCCN1C[C@H]2[C@H](NC(=O)[C@H]3CC(=O)N(C)C3)[C@H]2C1 1114357694 HSSSUDKQOXFTNE-RMRHIDDWSA-N 307.394 -0.286 30 20 DBED CCN(C)C(C)(C)C(=O)NC1[C@H]2CN(CC(=O)NCC#N)C[C@H]12 1114487915 CQZYSSJJDGLRPI-RYUDHWBXSA-N 321.425 -0.597 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)CCc3ccon3)[C@@H]2C1 1114570717 KJEQABSGTBHKID-CHWSQXEVSA-N 318.377 -0.044 30 20 DBED C=CCO[C@H](C)C(=O)NC1[C@H]2CN(Cc3cn(C)nn3)C[C@H]12 1115333263 VMJMNFYVZXZBEE-WXHSDQCUSA-N 305.382 -0.047 30 20 DBED CC(C)OCCCC(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1115344481 WXASHERELNXBCO-VIKVFOODSA-N 322.409 -0.122 30 20 DBED COC(=O)[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)CCO1 1118179682 CATPQEOZNYPHOZ-HBNTYKKESA-N 309.322 -0.805 30 20 DBED C=CCOCCNC(=O)C(=O)N1CCC[C@@H](CNC(N)=O)C1 1118624563 RICQKUNDJXSRCT-NSHDSACASA-N 312.370 -0.788 30 20 DBED COC[C@@H]1CCCN1C(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1118947484 HQQDFXVDCDBVJW-UONOGXRCSA-N 320.393 -0.177 30 20 DBED Cc1cc(C(=O)NC[C@H](CO)N=c2cc[nH]c(C#N)n2)co1 1121359699 KTQCHBJFHWVYIW-LLVKDONJSA-N 301.306 -0.126 30 20 DBED Cn1ccc(CC(=O)NC[C@H](CO)Nc2nccnc2C#N)n1 1121482397 XTNXWEFRAUSXLT-LLVKDONJSA-N 315.337 -0.787 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)C23CCN(CC2)C3)nc1 1121805240 AIZKKDZUWUBPCN-ZDUSSCGKSA-N 315.377 -0.062 30 20 DBED COC[C@H](OC)C(=O)NC[C@@H](CO)Nc1ccc(C#N)c(C)n1 1122464795 CDQVNONUQVXGJD-STQMWFEESA-N 322.365 -0.188 30 20 DBED COc1ccc(CNCCNC(=O)CNC(C)=O)cc1C#N 1122667770 KZOOKTAFBQUDIN-UHFFFAOYSA-N 304.350 -0.091 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)c1cccn1C 1123659829 RKFPQSMDEGNUCA-LLVKDONJSA-N 321.381 -0.255 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]cc1C#N)C(=O)c1n[nH]cc1F 1124721830 QZQQPNKYPXIVAU-JTQLQIEISA-N 318.312 -0.218 30 20 DBED C=C(C)CN(CC)C(=O)[C@@H](C)NCCNC(=O)CC(=O)NC 1126158602 GCLGTSDBXCOEMP-GFCCVEGCSA-N 312.414 -0.359 30 20 DBED C=C[C@](C)(O)CC(=O)NCCNCc1nnnn1C(C)(C)C 1126364761 BNAQKSVJCRJRJA-AWEZNQCLSA-N 310.402 -0.039 30 20 DBED CC(C)C#CC(=O)NCCNCCN1CCCS1(=O)=O 1126834163 LITUPGQSYLZNNP-UHFFFAOYSA-N 301.412 -0.613 30 20 DBED O=C(C#CC1CC1)NCCNC[C@@H](O)COC1CCOCC1 1126886555 WXXQMEYCUFHVKR-CQSZACIVSA-N 310.394 -0.338 30 20 DBED C=C(C)CCC(=O)NCCNC[C@H](O)CN1C(=O)CCC1=O 1128413597 HVWOWNUWOSSNQF-LBPRGKRZSA-N 311.382 -0.442 30 20 DBED CC#CCN1CCn2ncc(CNC(=O)[C@@H](C)CC(N)=O)c2C1 1128431926 OCQMDPBCLWZABR-LBPRGKRZSA-N 317.393 -0.150 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)c1cc2n(n1)CCC2 1128910425 ZLRTXOUXXDOGKO-LLVKDONJSA-N 305.382 -0.161 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@@H](c2n[nH]cc2CNC(C)=O)C1 1130331877 HRJHBQLSCFALNT-WCQYABFASA-N 317.393 -0.027 30 20 DBED C=CCCCN[C@@H]1CN(C(=O)C(N)=O)C[C@H]1c1cncn1C 1131064653 QEWKVETXPMHMGO-VXGBXAGGSA-N 305.382 -0.244 30 20 DBED C[C@@H]1CC[C@@H](NC(=O)c2cnn(C)c2)CN1CC(=O)NCC#N 1131776907 YDCVDFWGIVFYFI-DGCLKSJQSA-N 318.381 -0.357 30 20 DBED C[C@@H]1CC[C@@H](NC(=O)c2cn(C)cn2)CN1CC(=O)NCC#N 1131967539 FGUBCSNAENOERG-VXGBXAGGSA-N 318.381 -0.357 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)Cc1ccnc(OC)c1 1133877387 WPGCVVONFAZRII-LBPRGKRZSA-N 318.377 -0.524 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)c1cn(C)nc1C 1133937041 UISCFHAKKFWJLB-NWDGAFQWSA-N 319.409 -0.036 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1ccnc(C2CC2)n1 1134625409 ATKCXUDVBSBUCU-LLVKDONJSA-N 315.377 -0.189 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)CCOCCCOC 1147074902 CYDUNMDXRWMPQE-CYBMUJFWSA-N 315.414 -0.174 30 20 DBED C#CCC1(C(=O)N2CC3(CCN(CC(N)=O)C3)C2)CCOCC1 1147716558 HLLNEKOAFNXJJF-UHFFFAOYSA-N 319.405 -0.174 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)[C@H](CC)N(C)C)C2 1148291826 CYVGMEIMLPLTFR-AWEZNQCLSA-N 320.437 -0.390 30 20 DBED C#CCOCCC(=O)NCCCNCc1noc(CCOC)n1 1157845861 GAFJORVXCRWMLU-UHFFFAOYSA-N 324.381 -0.106 30 20 DBED C#CCN(C)C[C@H]1CCCCN1C(=O)CCS(=O)(=O)NC 1157982637 ZAFYFZFYQKNIJP-CYBMUJFWSA-N 315.439 -0.128 30 20 DBED COCC1(CNC(=O)[C@H]2CC[C@@H]2C(N)=O)CCN(CC#N)CC1 1162402031 ZPVDZQZYFKKVJM-STQMWFEESA-N 322.409 -0.134 30 20 DBED C#CCNC(=O)CNCCCNC(=O)C(=O)N1CCC[C@@H](C)C1 1167737333 VTMFGRHQRMIJRV-CYBMUJFWSA-N 322.409 -0.910 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)c1ccc(OC)nn1 1170171417 GPNKZRTZPAVCPZ-NSHDSACASA-N 321.381 -0.115 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)CCNC(=O)NC)C[C@@H]21 1176999588 GUWLMFGINRNVPT-STQMWFEESA-N 308.382 -0.760 30 20 DBED CO[C@@H]1CCCC[C@H]1C(=O)NCCCNCC(=O)NCC#N 1177255600 OUYAVYUAGJAJPU-CHWSQXEVSA-N 310.398 -0.073 30 20 DBED C=CCNC(=O)CNC[C@H]1C[C@H]2CC[C@H]1N(C(=O)CC(N)=O)C2 1177666320 WAHVJSLYKPDITO-JHJVBQTASA-N 322.409 -0.619 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)CC(=O)NCC2CC2)C1 1186941125 CIAXQGNRHMQBQX-CYBMUJFWSA-N 322.409 -0.605 30 20 DBED CCN(CCC#N)C(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H](C)C#N)C1 1191855184 YGOPMFXWBAFNHY-JHJVBQTASA-N 321.381 -0.930 30 20 DBED C=C(C)CCC(=O)N[C@@H]1CN(CCCS(C)(=O)=O)C[C@H]1O 1193370404 WBKHMTKWCXIXLG-CHWSQXEVSA-N 318.439 -0.061 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2cc(C)[nH]c2C)C1 1196437200 OJDCDCOCADWQFI-ZIAGYGMSSA-N 318.377 -0.844 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)c2cn(CC)nn2)C1 1197310926 LPOOJTRMFAPGPP-DGCLKSJQSA-N 309.370 -0.725 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)CS(=O)(=O)CCC)C1 1198754075 OFFZGQISAWFKPE-VXGBXAGGSA-N 304.412 -0.451 30 20 DBED C=CCNC[C@H]1CN(C(=O)CNS(=O)(=O)CC)CCCO1 1200648019 DUEJGTMKQGQEDD-LBPRGKRZSA-N 319.427 -0.681 30 20 DBED N#CCNC[C@@H]1CN(C(=O)C[C@@H]2CCC(=O)NC2)CCCO1 1200673297 NLBVUBGRQWBNIF-QWHCGFSZSA-N 308.382 -0.367 30 20 DBED C#Cc1cncc(C(=O)N2CCCO[C@H](CNCC(N)=O)C2)c1 1201382478 WHPKEGIPICRJSK-CQSZACIVSA-N 316.361 -0.631 30 20 DBED COCC#CCNC1CCN(C(=O)[C@@]2(C)CCNC2=O)CC1 1202479203 KRCAQTYKNOXPLC-INIZCTEOSA-N 307.394 -0.257 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)[C@@H]2CCN(C)C2)CC1 1203692504 GGWMTYVWTCLWAM-CYBMUJFWSA-N 306.410 -0.732 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)[C@@H]2CCCO2)CC1 1204385234 KULGTONRGABMFM-AWEZNQCLSA-N 307.394 -0.257 30 20 DBED COCC#CCN[C@@H]1CCCN(C(=O)[C@@H]2CCCNC2=O)C1 1208372953 FAKKAEKGOBLLBP-ZIAGYGMSSA-N 307.394 -0.257 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@@]2(C)CNC(=O)C2)C1 1208688836 XHAXUUIHSIEZKO-MLGOLLRUSA-N 322.409 -0.605 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)[C@H]2CCCO2)[C@H](OC)C1 1211797870 OZSFSPHOIVYYBR-JHJVBQTASA-N 311.382 -0.717 30 20 DBED COCC#CCN1C[C@@H](NC(=O)c2cc(OC)no2)[C@H](OC)C1 1212141223 JNCVKKQGZKYTQH-DGCLKSJQSA-N 323.349 -0.238 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(CC[C@H](C)F)C[C@H]1OC 1212150366 VLEQQMMMBRRSDM-YNEHKIRRSA-N 313.373 -0.311 30 20 DBED C=C(C)CN1C[C@@H](NC(=O)[C@H](C)NC(=O)COC)[C@H](OC)C1 1212308848 ITGIMIGOEJIONA-YNEHKIRRSA-N 313.398 -0.471 30 20 DBED C[C@@H]1CN(C(=O)c2ccncc2F)C[C@H]1NCC(=O)NCC#N 1214375753 VQGUJHCCRRSHJG-ZWNOBZJWSA-N 319.340 -0.089 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](NC[C@@H](CC)OC)[C@H](C)C1 1214473294 CSOQVFZVQARVDK-MGPQQGTHSA-N 309.410 -0.013 30 20 DBED C[C@@H]1CN(C(=O)C2=CCOCC2)C[C@H]1NCC(=O)NCC#N 1214491172 LIUCKDBRHSISLX-DGCLKSJQSA-N 306.366 -0.591 30 20 DBED C[C@@H]1CN(C(=O)C2(CN(C)C)CC2)C[C@H]1NCC(=O)NCC#N 1215414356 UYATZLWGYILJLI-CHWSQXEVSA-N 321.425 -0.596 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CNC(=O)C1CCC1 1219050432 CVENUXIFHOCCTQ-QWHCGFSZSA-N 306.366 -0.662 30 20 DBED C=C(C)CN(CC)C(=O)CN1C[C@H](O)[C@H](NC(=O)C(F)F)C1 1219078427 AHBHBPNSDMVEQE-MNOVXSKESA-N 319.352 -0.163 30 20 DBED C=CCCC(=O)N[C@@H]1CN(C[C@@H](O)Cn2cccn2)C[C@@H]1O 1219325765 CXRCDAFCOMOZAU-MCIONIFRSA-N 308.382 -0.629 30 20 DBED C#CCC1(C(=O)N[C@@H]2CN(Cc3nncn3C)C[C@@H]2O)CCC1 1219783983 NAJNGWNNVLNUMT-OLZOCXBDSA-N 317.393 -0.330 30 20 DBED N#CCNC(=O)CN1CCC(NC(=O)c2cccnn2)CC1 1229686223 STKQRJAAIWPSOI-UHFFFAOYSA-N 302.338 -0.689 30 20 DBED CNC(=O)NC(=O)[C@H](C)N1CC[C@@H](NC(=O)C#CC(C)C)C1 1267741183 MSYKRDXMYZROTL-NWDGAFQWSA-N 308.382 -0.320 30 20 DBED COc1ccc(C=NN2CC(=O)N(C)C2=O)cc1OCC(N)=O 1319687635 QJJPVKZVOCYOMN-UHFFFAOYSA-N 320.305 -0.213 30 20 DBED C=CC1CCN(C(=O)C(=O)NCCNS(C)(=O)=O)CC1 1323231192 GRVUYLIHPKNVKQ-UHFFFAOYSA-N 303.384 -0.924 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CC(=O)N[C@H]2CCCC[C@@H]21 1327249520 ZQCIUNHQCZPASR-WOPDTQHZSA-N 309.366 -0.427 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)NC[C@H]2CCN(C3CC3)C2)C1 1328253715 FIZXZUFSKITBDY-WBMJQRKESA-N 320.393 -0.536 30 20 DBED C#CC[C@H](CO)NC(=O)CC1CCN(S(C)(=O)=O)CC1 1328396380 XRVODRWZDVNONN-GFCCVEGCSA-N 302.396 -0.452 30 20 DBED CN1CCC[C@H](NC(=O)C(=O)Nc2cccc(C#N)n2)C1=O 1329009799 WAHYOKLJSOMJDD-JTQLQIEISA-N 301.306 -0.371 30 20 DBED C=CCOCCNC(=O)C(=O)N1CC[C@H](CN2CCCC2=O)C1 1330494088 LPYHVVPNOBQYHU-CYBMUJFWSA-N 323.393 -0.224 30 20 DBED C[C@@](C#N)(NC(=O)COC(=O)[C@@H]1CCS(=O)(=O)N1)C1CC1 1332586884 GYXLPDXERCSTJL-CABZTGNLSA-N 315.351 -0.970 30 20 DBED C#CCN(C(=O)C(=O)N1C[C@@H](C)S(=O)(=O)[C@H](C)C1)C(C)C 1335688836 IXCDCZOEMRICSS-VXGBXAGGSA-N 314.407 -0.109 30 20 DBED C#CCSCCn1nnnc1N1CCO[C@H](CNC(C)=O)C1 1335826429 IICQNQOTSICXFN-GFCCVEGCSA-N 324.410 -0.619 30 20 DBED C#CCN1CCN(c2nnc(-c3ccn(C)c(=O)c3)n2C)CC1 1339764657 KBNAFURUBARFNG-UHFFFAOYSA-N 312.377 -0.064 30 20 DBED C=CC[C@@H](CC)NC(=O)C(=O)NCCS(=O)(=O)NC(C)C 1345555971 XKGSWFNSCYBZFO-LLVKDONJSA-N 319.427 -0.099 30 20 DBED CNC(=O)[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1ccc(C#N)cn1 1347665957 GEKGFTPRHOWKSD-GHMZBOCLSA-N 315.333 -0.077 30 20 DBED C=C(C)Cn1c(CCOC)nnc1N1CCO[C@H](C(N)=O)C1 1357126842 OYGVPBFTBGMSLQ-NSHDSACASA-N 309.370 -0.266 30 20 DBED COC(=O)C1(C#N)CCN(C(=O)[C@H](O)c2cnn(C)c2)CC1 1362533459 DHVBJHBXFPEBMS-LLVKDONJSA-N 306.322 -0.241 30 20 DBED CC(C)(C#N)CS(=O)(=O)N1CCC[C@@H](S(N)(=O)=O)C1 1363834282 QGHTUXPQUCVOHP-SECBINFHSA-N 309.413 -0.381 30 20 DBED CC[C@@](C)(NS(=O)(=O)N(CCC#N)CCOC)C(N)=O 1364116061 ICBMNYDNEWBIPZ-LLVKDONJSA-N 306.388 -0.663 30 20 DBED Cc1cccnc1CCNS(=O)(=O)N1CCO[C@H](C#N)C1 1364868608 AALFGGONLTYZAU-GFCCVEGCSA-N 310.379 -0.009 30 20 DBED N#CC1(CNC(=O)N2CC[C@H](S(N)(=O)=O)C2)CCOCC1 1365675242 HEHIAXXAZOHTEL-JTQLQIEISA-N 316.383 -0.621 30 20 DBED CN(CCN(C)C(=O)[C@@H]1CCC(=O)N1)C(=O)c1cc(C#N)c[nH]1 1391802497 SUUUEQCFUNTNMH-NSHDSACASA-N 317.349 -0.305 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CCc3nncn3C2)C1 1407820145 GLTADWYZRPSMCV-DDHJBXDOSA-N 316.365 -0.236 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](C)CNC(=O)c1cnc2[nH]nnc2c1 1408205289 CNCWKENGHJPXTJ-JGVFFNPUSA-N 301.310 -0.253 30 20 DBED COc1nccc(C(=O)N(C)C[C@@H](O)CNC(=O)[C@H](C)C#N)n1 1413299816 KDZSTCUGKUOAMQ-ZJUUUORDSA-N 321.337 -0.806 30 20 DBED COCCN(CCNC(=O)CN(C)C(C)=O)C(=O)[C@H](C)C#N 1413495199 YTCTWRXJIXJKGB-LLVKDONJSA-N 312.370 -0.784 30 20 DBED C[C@H](CNC(=O)Cn1ncnn1)NCc1ccc(C#N)cc1F 1419748014 MJZXHGXJAYQDFZ-SNVBAGLBSA-N 317.328 -0.022 30 20 DBED N#Cc1ncn(CCNC(=O)c2cncc(N3CCCC3)n2)n1 1436181085 WDKUGWVXPVAPHO-UHFFFAOYSA-N 312.337 -0.030 30 20 DBED C[C@@H]1C[C@H](NC(=O)Cn2cc(C#N)c(O)nc2=O)CCN1C 1445061502 XZTXNICFPFPMLA-MWLCHTKSSA-N 305.338 -0.581 30 20 DBED C[C@H](C#N)C(=O)N(CCNC(=O)[C@@H]1CCC(=O)N1C)C1CC1 1449911626 IMRLBHVZJRHNLX-PWSUYJOCSA-N 306.366 -0.126 30 20 DBED C[C@@H](CNC(=O)c1ccc2nn[nH]c2n1)CNC(=O)[C@H](C)C#N 1451607838 OFGNNDATEGKQPN-RKDXNWHRSA-N 315.337 -0.005 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(CCNC(=O)C2CCOCC2)CC1 1453908607 UNTJKOGDBCAHQL-ZDUSSCGKSA-N 322.409 -0.167 30 20 DBED CC[C@H](C)[C@H](NC(=O)Cn1cc(C#N)c(O)nc1=O)C(=O)OC 1464517254 ZYWMNDGBGHBWLX-KWQFWETISA-N 322.321 -0.476 30 20 DBED C=C(Cl)CN[C@H]1C[C@H](NC(=O)CNC(=O)CNC(C)=O)C1 1480147331 OXYBYNLECHUQTH-XYPYZODXSA-N 316.789 -0.772 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@@H](CNC(=O)[C@H]2CC(=O)N(C)C2)C1 1514856750 CVGWOPQXJXWCRO-FIQHERPVSA-N 306.366 -0.365 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)CNC(=O)O)C[C@@H]1C 1573368040 GYZYAPPANOXLPY-WDEREUQCSA-N 312.370 -0.617 30 20 DBED COC(=O)[C@@H]1CC[C@H](S(=O)(=O)N[C@H]2CNC[C@@H]2C#N)C1 1578832338 KBXCXRUSZCMIEM-RCWTZXSCSA-N 301.368 -0.641 30 20 DBED C#CC[C@H](NS(=O)(=O)c1cnc(NC(C)=O)s1)C(=O)O 1588428663 WZAKIIJPKSIOTJ-ZETCQYMHSA-N 317.348 -0.144 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)NC[C@H](C)C(=O)O)CC1 1588465578 UQNLVUGUHNJOAL-NSHDSACASA-N 312.370 -0.664 30 20 DBED CC(=O)NCCN(C(=O)[C@H](C)n1cnc(C#N)n1)[C@H](C)C(=O)O 1588501790 KFJFEVNAHRIGMY-DTWKUNHWSA-N 322.325 -0.851 30 20 DBED C=CCCC(=O)NC[C@H](O)CNc1cncc(-c2nn[nH]n2)n1 1588569860 GLKFLFXVECPSKY-SECBINFHSA-N 318.341 -0.488 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@]1(C(=O)O)C[C@@H]1S(C)(=O)=O 1588916353 HRJUTOAWALGVRX-KEPMVKOISA-N 317.363 -0.418 30 20 DBED CCON(C)C(=O)CNc1cnc(-c2nn[nH]n2)c(C#N)n1 1590818226 VAZCFQIJBQWVJY-UHFFFAOYSA-N 303.286 -0.650 30 20 DBED CN(C)CC#CCNC(=O)N1CC(c2cc(C(=O)O)n[nH]2)C1 1598196829 LISGRNZXKBDBCG-UHFFFAOYSA-N 305.338 -0.218 30 20 DBED C=CCN1CC[C@@H](N(C)[C@@H]2CCN(CCC(=O)O)C2=O)C1=O 1602898513 VHUJSUXZMMNUHX-VXGBXAGGSA-N 309.366 -0.219 30 20 DBED CN(CCC#N)S(=O)(=O)N[C@H](Cc1cncs1)C(=O)O 1606106002 SZVGWGRGLGWCHT-SECBINFHSA-N 318.380 -0.181 30 20 DBED C#CCN(C)CCCNC(=O)[C@H](C)n1cnc(-c2nn[nH]n2)n1 1609020914 RYURQNMMLSLZNP-JTQLQIEISA-N 317.357 -0.910 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)N[C@@H]2CCCS(=O)(=O)C2)C1 1645862181 WAFFMJMKHHCPMX-ZYHUDNBSSA-N 301.368 -0.376 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@@H]1O 1739618814 IKCPJCGXQSXCKR-RDBSUJKOSA-N 309.410 -0.182 30 20 DBED C#CCNC(=O)CNC[C@H]1CCCN(C(=O)C2(COC)CC2)C1 1752802645 LOTJFGSAZSBQEB-CQSZACIVSA-N 321.421 -0.009 30 20 DBED C=CCNC(=O)CNCCN(C)C(=O)c1cccc2ncnn12 1753208246 OBKVZTDDLCEWAR-UHFFFAOYSA-N 316.365 -0.307 30 20 DBED C#CCNC(=O)[C@H](C)N1CC(NC(=O)[C@H]2CCN(C)[C@@H]2CC)C1 1753376798 BXPHMENFNDXEEM-AEGPPILISA-N 320.437 -0.345 30 20 DBED C#CCNC(=O)CN1CC(NC(=O)CCc2cc(C)on2)C1 1753386359 BQGCLPORNJQZQA-UHFFFAOYSA-N 304.350 -0.535 30 20 DBED C#CCNC(=O)CN1CC[C@@H](N(C)C(=O)c2c[nH]nc2CC)C1 1753440670 SVQFSSFFPMMVQH-GFCCVEGCSA-N 317.393 -0.132 30 20 DBED C#CCN[C@H](C)[C@H]1CCCN(C(=O)Cn2ccc(O)nc2=O)C1 1753796255 ITLZBZIROLZEBE-OLZOCXBDSA-N 318.377 -0.201 30 20 DBED C=C(Cl)CNCC[C@@H](C)NC(=O)Cn1c(O)nnc1O 1754017505 CAUICHPQFUHTMM-MRVPVSSYSA-N 303.750 -0.074 30 20 DBED C#CCNC(=O)[C@H](C)NCCN(CC)C(=O)c1cnn(C)c1C 1754033754 XKUMCNABRFAIRY-LBPRGKRZSA-N 319.409 -0.082 30 20 DBED C#CCCNC[C@@H](C)NC(=O)c1ccc(=O)n(CCOC)n1 1754234414 HMUOMWNEJMDEIL-GFCCVEGCSA-N 306.366 -0.379 30 20 DBED C#CCNC(=O)CNC1(CNC(=O)c2cn(CCC)nn2)CC1 1754530061 HLSDLDRZOPIIIL-UHFFFAOYSA-N 318.381 -0.711 30 20 DBED N#CCN1CC(O)(CNC(=O)c2cc(Br)n[nH]2)C1 1754768148 BYPQAMHZPUIRPS-UHFFFAOYSA-N 314.143 -0.528 30 20 DBED C[C@@H](CNC(=O)c1ccc(C#N)[nH]1)N(C)CC(=O)NCC#N 1755297537 YSHPWQBWPNOKLD-JTQLQIEISA-N 302.338 -0.424 30 20 DBED N#CCN1CC(CCO)(NC(=O)[C@H]2CCCc3n[nH]cc32)C1 1755334334 XBUUWPJTINMFIA-NSHDSACASA-N 303.366 -0.094 30 20 DBED CN(C)CCCC(=O)NCC1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]12 1755427360 DOUQWQOQDXVWHB-KBPBESRZSA-N 321.425 -0.738 30 20 DBED C#CCNC(=O)CNC[C@H](NC(=O)[C@H]1CCOC1)C(C)(C)C 1755819294 AMIDVHKUVVGMAC-STQMWFEESA-N 309.410 -0.107 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1CC(NC(=O)c2ncn(C)n2)C1 1755933635 AVUMGMMXGKIJAE-NWHVRFAMSA-N 321.381 -0.233 30 20 DBED CN(C[C@H](O)CNC(=O)C#CC1CC1)C(=O)[C@]1(C)CCC(=O)N1 1756677845 BYKDMQWHXZEWKP-WBMJQRKESA-N 321.377 -0.996 30 20 DBED N#Cc1ncn(CC(=O)N[C@H](C(N)=O)c2ccc(F)cc2)n1 1771656120 MNGXQQYFTSZNNZ-LBPRGKRZSA-N 302.269 -0.368 30 20 DBED Cn1c(=O)[nH]c(N2CC[S@@](=O)C(C)(C)CC2)c(C#N)c1=O 1772116660 DPCQSOBVTYKHHL-OAQYLSRUSA-N 310.379 -0.317 30 20 DBED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3C[C@@H](O)C3)C[C@@H]21 1790792327 JJDWHSXDTIJDAC-HPCHECBXSA-N 306.362 -0.630 30 20 DBED O=C(O)C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1CC(O)C1 1793015667 RAOARIXKYNOPED-UOARYYOJSA-N 320.345 -0.517 30 20 DBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@@H]1F)C2 1800773522 GWFPIXSDQYOSCH-AHMQBVQWSA-N 324.308 -0.978 30 20 DBED O=C(O)C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnc[nH]1)C2 1801986988 RGXJJXJGFXBRKN-JGPRNRPPSA-N 316.317 -0.251 30 20 DBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ncc[nH]3)C2)C1 1839807110 MRVVAIOBYZAQGA-OAHLLOKOSA-N 318.333 -0.887 30 20 DBED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@@H](C)NC=O)C2 1841601858 FXWHOEXWFOYYPD-CHWSQXEVSA-N 321.377 -0.637 30 20 DBED C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCO[C@H](C(N)=O)C1 51106460 VNJDWKNSTNYMBB-RYUDHWBXSA-N 308.382 -0.096 30 20 DBED CC(C)Cn1c(N)c(C(=O)CN(C)CC#N)c(=O)n(C)c1=O 103472802 ZHPCCEYUTWMTPS-UHFFFAOYSA-N 307.354 -0.577 30 20 DBED C=CCN(CC=C)C(=O)CN1CC[C@H](S(=O)(=O)NC)C1 155891303 FUBHRHLRVWIANO-LBPRGKRZSA-N 301.412 -0.190 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H]([C@@H](C)N)C2)C1=O 262568111 FLGQLEHGQFBKDR-MNOVXSKESA-N 322.365 -0.451 30 20 DBED C=CCN(CCC(=O)NCC(=O)OC)[C@H]1CCS(=O)(=O)C1 264746289 VDSNVKNOYXBYNZ-NSHDSACASA-N 318.395 -0.659 30 20 DBED COC(=O)[C@@H](NC(=O)COc1ccc(C#N)cc1OC)[C@@H](C)O 274508742 GRFCXDZGOUWQRC-OTYXRUKQSA-N 322.317 -0.016 30 20 DBED C[C@H](O)C(=O)N1CCN(S(=O)(=O)c2cccnc2C#N)CC1 277128775 JBRVOYHOZBGDJE-JTQLQIEISA-N 324.362 -0.833 30 20 DBED C[C@]1(C(N)=O)CCN(CC#CCN2CC[C@](C)(C(N)=O)C2)C1 284908493 VEXCMCUMWNGGNL-HOTGVXAUSA-N 306.410 -0.616 30 20 DBED C[C@@H](CS(C)(=O)=O)NS(=O)(=O)c1cncc(C#N)c1 289541689 SZNSEQIXEPRGRZ-QMMMGPOBSA-N 303.365 -0.335 30 20 DBED C=C[C@H](CO)NC(=O)c1cccc(C(=O)N[C@H](C=C)CO)n1 290628386 PBJWIGXLJUEWCU-GHMZBOCLSA-N 305.334 -0.365 30 20 DBED Cn1nnc2c1C[C@H](/C(O)=N/C[C@H]1CN3CCN1CC3)CC2 329440820 AGUXMVRQRAANRH-NEPJUHHUSA-N 304.398 -0.124 30 20 DBED O=S(=O)([C@H]1CCOC1)N1CCN(C/C(O)=N/C2CC2)CC1 329535995 ZVPNATYYMFVCOS-LBPRGKRZSA-N 317.411 -0.158 30 20 DBED C[C@H](C/N=C(/O)N[C@@H]1CC[S@](=O)C1)CN1CCOCC1 330027668 NITMTFHAZOJDDV-HTGLOVNISA-N 303.428 -0.021 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCO[C@@H](CN(C)C)C1 330393067 QDKFLIZRUGXYNE-STQMWFEESA-N 318.443 -0.025 30 20 DBED CC(=O)NCC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 330940051 XBFQDFKCAHIPFM-SNVBAGLBSA-N 302.338 -0.479 30 20 DBED CC1CCN(C[C@H](O)CNC(=O)[C@H](C)n2cnc(C#N)n2)CC1 336989883 KEUHIXOQQIYVFL-QWHCGFSZSA-N 320.397 -0.080 30 20 DBED CC#CCNC(=O)NC[C@@H]1CCCCN1S(=O)(=O)N(C)C 341494246 GVTFOJHZTMESAB-LBPRGKRZSA-N 316.427 -0.030 30 20 DBED COC(=O)CN(CC#N)C(=O)CCn1nc2ccccn2c1=O 348795006 BKXMFITUXMKCMV-UHFFFAOYSA-N 317.305 -0.589 30 20 DBED CC1(C)CC[C@H]1NS(=O)(=O)CCCS(=O)(=O)NCC#N 349539413 IAFVMJXAYPJRMR-SNVBAGLBSA-N 323.440 -0.073 30 20 DBED C=C[C@H](CO)NC(=O)Nc1cccc(C(=O)NCCC(N)=O)c1 350221411 HAPYZHBCAMJDKI-LLVKDONJSA-N 320.349 -0.040 30 20 DBED C=C[C@H](CO)NC(=O)Nc1cccc(C(=O)N(C)CC(N)=O)c1 350639525 PQHUDKSXIWLQQS-LLVKDONJSA-N 320.349 -0.088 30 20 DBED Cn1cnc(CNC(=O)C(=O)N2CCc3ccc(C#N)cc32)n1 352642216 GOAWVOSRJSXTGS-UHFFFAOYSA-N 310.317 -0.108 30 20 DBED C[C@H]1CN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C[C@@H]1O 355529212 KJFPZZNHWOAJHO-GWCFXTLKSA-N 323.374 -0.324 30 20 DBED N#CCNC(=O)CNC(=O)NCCC(=O)Nc1ccccc1 358270888 GFNXJMLHTAHCFO-UHFFFAOYSA-N 303.322 -0.046 30 20 DBED C=CCN(CCOC)S(=O)(=O)N1CCS(=O)(=O)CC1 360064212 SJBPRJSHHSJGBH-UHFFFAOYSA-N 312.413 -0.904 30 20 DBED COCCN(CC(=O)N(C)C)S(=O)(=O)CC1(C#N)CC1 361512967 WRDPRTSIIVGGAL-UHFFFAOYSA-N 303.384 -0.343 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@H]3CC[C@H]2NC3)CC1 394699275 UAWSAERXZPTALF-RBSFLKMASA-N 320.437 -0.179 30 20 DBED CC(C)(C)[C@@H](C#N)NC(=O)C1CCN(S(N)(=O)=O)CC1 408370957 RVJUCTVLQKSMMD-SNVBAGLBSA-N 302.400 -0.044 30 20 DBED CNCCNC(=O)C(=O)N1CC(Oc2ccc(C#N)cc2)C1 419883759 ZWJLHTXFTABTNR-UHFFFAOYSA-N 302.334 -0.517 30 20 DBED C=CCOC[C@@H](NC(=O)Cc1nnc(NC)s1)C(=O)OC 435952133 YYYDOIYXZGTUEW-MRVPVSSYSA-N 314.367 -0.017 30 20 DBED COC(=O)Cn1cc(S(=O)(=O)Nc2c(C#N)cnn2C)cn1 438238236 MORXJSPEUAAGHH-UHFFFAOYSA-N 324.322 -0.538 30 20 DBED C=C(C)CN(C)C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 459857081 LTWUYDJQRVSUBO-ZDUSSCGKSA-N 323.393 -0.129 30 20 DBED C#CCN1CCN(C(=O)CN(C)C2(CO)CCOCC2)CC1 491427822 MHXUTEHTDLMMJF-UHFFFAOYSA-N 309.410 -0.763 30 20 DBED C#CCN1CCN(C(=O)Cn2cnc(Br)n2)CC1 491634468 VIMHOEXMZVBWHG-UHFFFAOYSA-N 312.171 -0.182 30 20 DBED N#Cc1ccncc1N1CCN(CC(=O)N2CCNC2=O)CC1 562379304 CAJIEDYXPQSKDI-UHFFFAOYSA-N 314.349 -0.373 30 20 DBED CC[C@H](C#N)C(=O)N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 593443433 ICJYIMCVLNHXAT-GRYCIOLGSA-N 315.395 -0.850 30 20 DBED COC(=O)COCC(=O)N(C)CCCc1[nH]nc(N)c1C#N 597450652 ITWWWAJAUHQHRU-UHFFFAOYSA-N 309.326 -0.556 30 20 DBED C=CCOC[C@@H](NC(=O)CNC(=O)c1ccncc1)C(=O)OC 619511374 LLZWAGJSKOBVEU-GFCCVEGCSA-N 321.333 -0.328 30 20 DBED CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)N1CCOC[C@H]1C#N 619582644 SAXWEIJPQXRISD-GHMZBOCLSA-N 310.354 -0.856 30 20 DBED C=C[C@@H]1OCCC[C@H]1NC(=O)NCCCS(=O)(=O)NC 633475088 MXJRAYTUQLWYPZ-MNOVXSKESA-N 305.400 -0.042 30 20 DBED C#CCN(CC(=O)O)C(=O)NC[C@@H]1CCCCS1(=O)=O 694074829 KOJMDTJAOADUGG-JTQLQIEISA-N 302.352 -0.317 30 20 DBED N#Cc1cccc(OCC(=O)NCCCN2C(=O)CNC2=O)c1 731008005 BNRKCVVWTGWABX-UHFFFAOYSA-N 316.317 -0.005 30 20 DBED N#CCNC(=O)COC(=O)C[C@H](NC(N)=O)c1ccccc1 731237772 QATBXVZRVOUCFR-NSHDSACASA-N 304.306 -0.031 30 20 DBED C#CCNS(=O)(=O)c1ccc(C(=O)NCc2nn[nH]n2)cc1 731873592 XTEULLUFPPZVHQ-UHFFFAOYSA-N 320.334 -0.959 30 20 DBED CN(C)S(=O)(=O)CCCn1cc(C(=O)O)cc(C#N)c1=O 737370947 SVXFBPQYPWVDLS-UHFFFAOYSA-N 313.335 -0.300 30 20 DBED C#CCN1CCN(C(=O)CN2C[C@@H](C)[C@H](C(=O)OC)C2)CC1 756011622 IHHCKGKKJPHGQF-ZIAGYGMSSA-N 307.394 -0.495 30 20 DBED CN1CC[C@](O)(CNC(=O)NCCNc2ccc(C#N)cn2)C1 763005260 RPYHKBNSLVADSP-HNNXBMFYSA-N 318.381 -0.269 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@H](O)C(C)(C)C)CC1 764996886 NSINBAZTXMHFLV-AWEZNQCLSA-N 309.410 -0.323 30 20 DBED Cn1nncc1S(=O)(=O)NCCNc1ccc(C#N)cn1 795076055 AEVWBFUBJWYIJY-UHFFFAOYSA-N 307.339 -0.528 30 20 DBED C=CCOCCOC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C 797296678 KVAWJAXLIUIGEP-UHFFFAOYSA-N 319.317 -0.008 30 20 DBED C#CCNC(=O)CN1CCN(S(=O)(=O)CC(C)(C)C)CC1 799769234 ZPYQRDCSVWQFRQ-UHFFFAOYSA-N 315.439 -0.271 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)C(F)F)C1=O 800157422 FCXZUZLOUDBISX-UHFFFAOYSA-N 304.205 -0.659 30 20 DBED O=C(N[C@H]1CCCN(O)C1=O)c1cncc(-n2ccnn2)c1 820476124 IESQOFBSDRMMKO-NSHDSACASA-N 302.294 -0.228 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)NCCc1ccn(C)n1 829167476 IEKOWBZEDAZOBL-UHFFFAOYSA-N 306.366 -0.423 30 20 DBED C=CCNC(=O)[C@@H](C#N)C(=O)Cn1nc2n(c1=O)CCCC2 845442489 MRDKTLYQDKUSJU-JTQLQIEISA-N 303.322 -0.608 30 20 DBED C#CCN1CCN(C(=O)Cn2c(OC)c(C#N)ccc2=O)CC1 853703271 FQTYYGCSIZRRLJ-UHFFFAOYSA-N 314.345 -0.494 30 20 DBED C#CCCOC(=O)N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 858931644 XIHOVDVDWBEIMA-RYUDHWBXSA-N 316.379 -0.766 30 20 DBED COCC/N=C(/NCC(=O)N(C)C)NC[C@@H](O)C(F)(F)F 864236393 JFHVHCKFYLTWFK-MRVPVSSYSA-N 314.308 -0.821 30 20 DBED C#CC[C@H](CCOC)NC(=O)NCCC(=O)N1CCN(C)CC1 875067689 AIQMZMCVDIGEHU-CQSZACIVSA-N 324.425 -0.122 30 20 DBED C#CCN1CCC[C@H](NS(=O)(=O)CCS(C)(=O)=O)C1 885511887 NWIWQNYQTPNESI-NSHDSACASA-N 308.425 -0.952 30 20 DBED C=CCn1cc(C(=O)N2CCN(C(=O)C(OC)OC)CC2)nn1 912353638 SBSDIMHFVGCKOO-UHFFFAOYSA-N 323.353 -0.633 30 20 DBED COCCn1c(=C(C#N)C#N)sc(=Cc2ccncc2)c1=O 916199680 VTNNTWYNQGVYCE-UHFFFAOYSA-N 312.354 -0.022 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(C/C(C)=C\C(=O)OC)c1=O 916231849 YAQSLGKMJOBRNW-LUAWRHEFSA-N 321.333 -0.337 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@H](NC(=O)[C@@H]3CCC(=O)N3)C2)c1 938375090 XFRDOKTYZMJNMV-QWRGUYRKSA-N 315.333 -0.504 30 20 DBED C#Cc1cncc(C(=O)N[C@H]2CCN(C(=O)c3cnn[nH]3)C2)c1 938705197 BUTASPSKIRFPAW-LBPRGKRZSA-N 310.317 -0.175 30 20 DBED C#Cc1ccc(C(=O)N2C[C@H]3C[C@H]2[C@H]3NC(=O)c2cnn[nH]2)nc1 947490264 PZUZFPZATIMQPT-SWHYSGLUSA-N 322.328 -0.176 30 20 DBED C#Cc1ccccc1CC(=O)NC1CCN(C(=O)C(N)=O)CC1 948072590 YUXQKUJTUKPPGM-UHFFFAOYSA-N 313.357 -0.197 30 20 DBED CCN1CCOC[C@@H]1C(=O)NC[C@H]1CCN1C(=O)C#CC1CC1 950867659 IMOBDMKSOPOWRN-HUUCEWRRSA-N 319.405 -0.162 30 20 DBED C#CCN1C[C@H](CNC(=O)c2cnc3[nH]c(O)nc3c2)[C@@H](O)C1 958195854 LMLSUCRPUZEJJQ-JQWIXIFHSA-N 315.333 -0.681 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2ccc3ncn(C)c3n2)C1 958403763 JKFTYMAHWNMEGI-BXUZGUMPSA-N 313.361 -0.376 30 20 DBED Cc1c(C(=O)N(C)[C@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)cnn1C 958600470 DRXJIWDJHSRJGF-ICCXJUOJSA-N 319.365 -0.468 30 20 DBED C=C(Cl)CN1C[C@@H]2C(NC(=O)Cn3cnc(C(N)=O)n3)[C@H]2C1 959970440 BIPOMMYMCHCSBN-IUCAKERBSA-N 324.772 -0.824 30 20 DBED CC#CCN1C[C@H]2C(NC(=O)Cn3nnnc3C(C)C)[C@@H]2C1 961989772 YUNVPYMGGKUURV-VXGBXAGGSA-N 302.382 -0.134 30 20 DBED C=CCN1C[C@H]2[C@H](NC(=O)C3(n4cnnn4)CCOCC3)[C@H]2C1 962015067 GAHYNQXVFMZQIV-ITGUQSILSA-N 318.381 -0.589 30 20 DBED CN1C(=O)CN(CC(=O)NC2CC3(CC(NCC#N)C3)C2)C1=O 965848094 XJHKOGZJOFZPGK-UHFFFAOYSA-N 319.365 -0.579 30 20 DBED C=C(C)CN1CC[C@H](C)[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 966167234 MMNFYBLRFSKQBU-NWDGAFQWSA-N 320.397 -0.220 30 20 DBED CC#CCN1CC[C@@H](C)[C@H](NC(=O)Cn2ncn(C)c2=O)C1 967029152 FUABWTGWKLQIAC-CHWSQXEVSA-N 305.382 -0.568 30 20 DBED CNC(=O)CN1CCO[C@@]2(CCN(C(=O)C#CC3CC3)C2)C1 972378077 OWLUCCHQMCFHSN-INIZCTEOSA-N 305.378 -0.551 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)Cn3cncn3)C2)nc1 973485257 PJMRMGSBELGAJH-JOCQHMNTSA-N 324.344 -0.268 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1CN(CC(N)=O)CC1(C)C 974685005 ISUAHUUVIIHDFU-STQMWFEESA-N 306.410 -0.604 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2CN(CC(N)=O)CC2(C)C)cn1 977528840 VYQVXFBBAOKHBI-ZDUSSCGKSA-N 300.362 -0.012 30 20 DBED C#CCN1C[C@H]2[C@H](CNC(=O)[C@@H]3CCc4nnn(C)c4C3)[C@H]2C1 978663319 YFJRZOSKSRCQSY-SYQHCUMBSA-N 313.405 -0.153 30 20 DBED N#CCN1CC[C@]2(NC(=O)C[C@@H]3NC(=O)NC3=O)CCC[C@@H]12 991099537 IAARAYPPRXIDSP-IMSIIYSGSA-N 305.338 -0.779 30 20 DBED C#CCN1CC[C@]2(NC(=O)C3CC(=O)NC(=O)C3)CCC[C@H]12 992319316 APFCTBQKOCEGLM-BLLLJJGKSA-N 303.362 -0.214 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC(NC(=O)[C@]2(F)CCOC2)C1 998146864 CJIVAFIMYRRHKQ-BBRMVZONSA-N 323.368 -0.460 30 20 DBED C=C1CC(C)(C(=O)NC2CN(C(=O)Cn3cnnc3O)C2)C1 999231260 AXCQJIWHRHIWHC-UHFFFAOYSA-N 305.338 -0.333 30 20 DBED C#CCN1CC[C@@H](n2cc(CNC(=O)c3cnns3)nn2)C1 999956115 NUEILMOHZAUOIL-LLVKDONJSA-N 317.378 -0.060 30 20 DBED C#CCN1CC[C@H](n2cc(CNC(=O)[C@H]3CCC(=O)N3)nn2)C1 999962970 PIOXDIRICRVZRI-QWHCGFSZSA-N 316.365 -0.947 30 20 DBED N#CCN[C@@H]1CCCN(C(=O)Cn2nc3n(c2=O)CCCC3)C1 1000637098 KQVJZSPWBXYLGM-GFCCVEGCSA-N 318.381 -0.515 30 20 DBED C#CCN1CCC(C(=O)N2CCC[C@H](NCC(N)=O)C2)CC1 1000994687 WKPHDMHJZUVVDB-AWEZNQCLSA-N 306.410 -0.603 30 20 DBED O=C(C#CC1CC1)N1C[C@H]2CC[C@H]1CN2C(=O)Cc1nc[nH]n1 1007313651 FUGHIFWBYFSIQQ-QWHCGFSZSA-N 313.361 -0.038 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2C(CNC(=O)c3cnn(C)n3)[C@@H]2C1 1009253949 HRNHNAFNYKPZOH-MIMYLULJSA-N 302.338 -0.591 30 20 DBED Nc1nccnc1C(=O)NC1[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]12 1012878606 IADQWITZICBKCR-GHMZBOCLSA-N 311.345 -0.341 30 20 DBED C#CCCN1CC[C@@H](NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 1014422757 FKKABHMCESLYHU-QWHCGFSZSA-N 315.377 -0.024 30 20 DBED N#CCN1CC[C@H](NC(=O)Cn2nnc(-c3ccco3)n2)C1 1015057420 JMKCZVWFQVXQCH-JTQLQIEISA-N 301.310 -0.353 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2CCN(Cc3nnnn3C)C2)nc1 1016021769 AOPHHKYAUKVSLO-LBPRGKRZSA-N 311.349 -0.409 30 20 DBED C=CCN[C@H]1CCN(C(=O)Cn2ccc(O)nc2=O)C[C@H]1C 1036098819 IQEBZYKCMILNLB-NEPJUHHUSA-N 306.366 -0.039 30 20 DBED C#CCCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)CN1CCC(=O)NC1=O 1037659475 IGWCOJAJMGGLBW-UHIISALHSA-N 304.350 -0.860 30 20 DBED C#CCN[C@H]1CCN(C(=O)c2cn(C)c(=O)nc2O)C[C@@H]1CC 1037975766 VWRGENFJJLLRFF-AAEUAGOBSA-N 318.377 -0.051 30 20 DBED C#CCN1CCC(C(=O)NC[C@@H]2CCN2[C@H](C)C(N)=O)CC1 1039041847 HQYZMKPMVCLJAE-OCCSQVGLSA-N 306.410 -0.604 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@]1(O)CCN(C(=O)C(C)(F)F)C1 1039722806 YZPOLPBLIRFYJP-IINYFYTJSA-N 318.320 -0.241 30 20 DBED C=C(C)CCC(=O)NC[C@@]1(O)CCN(C(=O)c2cnnn2C)C1 1039986486 CCVLSYZKGBDLDE-HNNXBMFYSA-N 321.381 -0.135 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(c2cnc(F)cn2)C[C@H]1O 1041349706 IDNANQQRNKLCKL-KKOKHZNYSA-N 322.340 -0.128 30 20 DBED N#CCN1CC[C@@]2(CCN(C(=O)[C@H]3CCS(=O)(=O)C3)C2)C1 1041450280 CMBRLJGERWZURT-GXTWGEPZSA-N 311.407 -0.131 30 20 DBED CC#CCN1CC[C@@]2(CCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C2)C1 1041718722 ZKORSKHSYFIBAS-BLLLJJGKSA-N 318.377 -0.468 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(O)CN(C(=O)c2ncoc2C)C1 1042806403 GPRAKFPFRWEAEG-AWEZNQCLSA-N 323.349 -0.387 30 20 DBED C=C(Cl)CN1CC(N(C)C(=O)CN2C(=O)CNC2=O)C1 1044271618 KRBBDHYIDVRKJC-UHFFFAOYSA-N 300.746 -0.567 30 20 DBED C[C@@H]1C[C@H](NCC#N)CCN1C(=O)CN1CCC(=O)NC1=O 1044811980 AINHMAMGJRUOFT-GHMZBOCLSA-N 307.354 -0.579 30 20 DBED C=CCCCC(=O)NCC1(O)CN(C(=O)[C@H]2C[C@H]2C(=O)OC)C1 1045451469 RSRRZZSRHQFYAK-NWDGAFQWSA-N 324.377 -0.159 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)COCC(F)F)C1 1045559672 NTHUKOBHVXMXMN-QMMMGPOBSA-N 305.281 -0.883 30 20 DBED CN1CC[C@@H](C(=O)NC2(C)CCN(CC#N)CC2)S1(=O)=O 1045586751 SMFTUXVDUFQCMB-NSHDSACASA-N 314.411 -0.485 30 20 DBED C#CCCN1CC[C@@](C)(NC(=O)c2cnc(O)n(C)c2=O)C1 1046536670 WXRWCNRFYCTNHK-OAHLLOKOSA-N 304.350 -0.297 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CCC(=O)NC2)C1 1047406749 OPQIFRHNIDQBRB-IHRRRGAJSA-N 307.394 -0.571 30 20 DBED CC(=O)NCC(=O)N(C)[C@H]1CN(C(=O)C#CC(C)(C)C)C[C@@H]1O 1048083379 BCPZIVUALVDRCH-STQMWFEESA-N 323.393 -0.798 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC(=O)N(C)C2)C1 1048962211 BCHJPKZXQCBBFG-AGIUHOORSA-N 323.393 -0.539 30 20 DBED N#Cc1cnccc1N(CCO)[C@@H]1CCCN(C(=O)C(N)=O)C1 1049164686 SLHYFFAPCQQWSW-GFCCVEGCSA-N 317.349 -0.772 30 20 DBED Cc1cc(NC(=O)C(=O)N2C[C@@H]3CN(CC#N)C[C@@H]3C2)no1 1049210614 OSEMONPBVMNZIZ-PHIMTYICSA-N 303.322 -0.165 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCc2cnn[nH]2)C1 1049583326 HBGMRPKISPQACE-STQMWFEESA-N 321.381 -0.266 30 20 DBED C#CCOCCC(=O)N[C@@H](C)[C@@H]1CCN(C(=O)c2cnn[nH]2)C1 1051127395 BBUPLYCJSIFSJA-NWDGAFQWSA-N 319.365 -0.189 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H](CNCc2ncnn2CCF)C1 1051495660 WGWFGZCOKAQMAM-RYUDHWBXSA-N 324.360 -0.276 30 20 DBED C#CCN1CCN([C@@H]2CCN(C(=O)[C@@H]3CCC(=O)N3C)C2)CC1 1052060404 CVWCGPOHPAPUNB-CABCVRRESA-N 318.421 -0.541 30 20 DBED CC#CCN1CC2(CC[C@@H](CNC(=O)[C@@H]3CCN(C)C3=O)O2)C1 1053642826 LTWYIMZJYWOFJE-KBPBESRZSA-N 319.405 -0.162 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)[C@H]3CCCNC3=O)CO2)C1 1053836185 UGMGNELINNECOG-STQMWFEESA-N 305.378 -0.505 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@@H](N=c2cc[nH]c(C#N)n2)C1 1056811322 TXZPAPHRXLVPEW-KGLIPLIRSA-N 324.388 -0.119 30 20 DBED CN(c1ccc(C#N)nn1)[C@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 1056910289 PQMLQTDGNMMUNC-WDEREUQCSA-N 316.321 -0.506 30 20 DBED CN(c1cncc(C#N)n1)[C@H]1CCN(C(=O)Cn2nccn2)C1 1056974668 ZNLULYVQCCJFEH-LBPRGKRZSA-N 312.337 -0.323 30 20 DBED COCCCC(=O)NCCN(CCO)C(=O)c1ccc(C#N)[nH]1 1057366715 COQHLZMZYVXRII-UHFFFAOYSA-N 322.365 -0.136 30 20 DBED N#Cc1c[nH]ccc1=NC1CCN(C(=O)[C@@H]2CCNC2=O)CC1 1057399194 VIJGAXRXBJDGNN-CYBMUJFWSA-N 313.361 -0.086 30 20 DBED C[C@@]1(C(=O)N[C@@H]2CCN(c3ccc(C#N)nn3)C2)CNC(=O)C1 1058494170 LVLKKZOXWKLDMD-ABAIWWIYSA-N 314.349 -0.431 30 20 DBED Cc1cc(C#N)nc(N[C@H]2CCN(C(=O)[C@@H]3CCC(=O)N3)C2)n1 1058935342 HFXLEZWOFDRJPR-JQWIXIFHSA-N 314.349 -0.052 30 20 DBED C=CCOCC(=O)N1CCOC[C@@H]1CNC(=O)c1cnn(C)c1 1061273656 NNFFZZXQYDKSEN-ZDUSSCGKSA-N 322.365 -0.420 30 20 DBED CN(CC1CCN(C(=O)C(N)=O)CC1)c1cncc(C#N)n1 1062229124 ABHPFIWPMNQKSF-UHFFFAOYSA-N 302.338 -0.492 30 20 DBED N#Cc1cccnc1N1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1COC(=O)N1 1062480770 ADDKVKLVLAFARN-SRVKXCTJSA-N 313.317 -0.149 30 20 DBED CN(C(=O)[C@@H]1COC(=O)N1)[C@@H]1CCN(c2cncc(C#N)n2)C1 1062928634 NANXJSZBSGGKHL-MNOVXSKESA-N 316.321 -0.506 30 20 DBED N#Cc1ccc(N2CCC[C@@]3(CCN(C(=O)C(N)=O)C3)C2)nn1 1064567841 ZGEMPUPDSXIAKW-OAHLLOKOSA-N 314.349 -0.348 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CN(C(=O)CCn2cncn2)CCO1 1064862967 MOVGOUQZKTWEOX-RYUDHWBXSA-N 320.353 -0.829 30 20 DBED CN(C(=O)c1cnco1)[C@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1065612758 LRHGTORCZZWDDR-QWRGUYRKSA-N 314.305 -0.342 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CCCN(C(=O)C(F)F)CC1 1066075213 SCOWBJULMVXUBO-JTQLQIEISA-N 315.320 -0.112 30 20 DBED C=CCOCC(=O)N1CCC[C@@H](NC(=O)c2nnn(C)n2)CC1 1066410518 YUZMWSZYCXKPDL-LLVKDONJSA-N 322.369 -0.476 30 20 DBED C=C[C@H](CC)CC(=O)N[C@@H]1COC2(C1)CN(C(=O)CC(N)=O)C2 1068975731 MUQSPFGYZXPFAE-NEPJUHHUSA-N 323.393 -0.050 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCC[C@@H](NC(=O)C2(C(N)=O)CC2)C1 1070673018 VONOBIIFGSTJRJ-ABAIWWIYSA-N 323.393 -0.314 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)CO[C@H]4CCOC4)C[C@@]3(C1)O2 1070800253 WQCUGWHWYLVDHP-LJIGWXMPSA-N 320.389 -0.273 30 20 DBED N#CCN1C[C@H]2C[C@H]3CN(C(=O)[C@H]4CCC(=O)NC4)C[C@@]3(C1)O2 1070819151 WQSSGTPGKPYUEM-BCUIYNNISA-N 318.377 -0.662 30 20 DBED N#CCN1CCNC(=O)CCN(C(=O)[C@H]2C[C@]23CCOC3)CC1 1071014276 GWZBAHUYVTZLSQ-CJNGLKHVSA-N 320.393 -0.413 30 20 DBED C=CCC1(C(=O)N2CCC[C@@H](NC(=O)C(N)=O)C2)CCOCC1 1071086614 OHSZHSCAQYNFLE-GFCCVEGCSA-N 323.393 -0.048 30 20 DBED C=CCCN1CC[C@]2(C1)CN(C(=O)Cn1ncnn1)C[C@@H](C)O2 1071169859 XTIHJZVIDVDJTG-HIFRSBDPSA-N 320.397 -0.059 30 20 DBED C[C@H]1CN(C(=O)CNC(N)=O)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 1071574391 LUUVLPCWJUJZRE-GZMMTYOYSA-N 318.337 -0.869 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1C 1071581239 HIHVMROGWOIJRD-GHMZBOCLSA-N 312.370 -0.790 30 20 DBED C=CCCC(=O)N1C[C@H](C)[C@H](NC(=O)CN2CCOCC2=O)C1 1071777745 LNQQFDNDOOOEPT-QWHCGFSZSA-N 323.393 -0.226 30 20 DBED C=CCOCC(=O)N1C[C@@H](NC(=O)CCn2cnnn2)[C@H](C)C1 1071808210 FUJCGXUKHPPVKQ-VXGBXAGGSA-N 322.369 -0.771 30 20 DBED C[C@@H]1CN(C(=O)CCNC(N)=O)C[C@H]1NC(=O)C#CC1CC1 1072066254 MEFXNSFDIJOVHJ-ZYHUDNBSSA-N 306.366 -0.579 30 20 DBED C#CCOCCC(=O)N1C[C@H](C)[C@@H](NC(=O)CNC(C)=O)C1 1072096495 AHBLIUVRYSXBFZ-AAEUAGOBSA-N 309.366 -0.875 30 20 DBED C=CCCCC(=O)N1C[C@H](C)[C@@H](NC(=O)Cn2ncnn2)C1 1072637070 YCKKUBUUXQDHAS-RYUDHWBXSA-N 306.370 -0.008 30 20 DBED C=CCOCC(=O)N1CC[C@@H](NC(=O)CNC(C)=O)[C@@H](C)C1 1073657236 ZDKPLAHUTQTCRE-WCQYABFASA-N 311.382 -0.322 30 20 DBED C[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)CC[C@H]1NC(=O)CC(N)=O 1073840201 RGFIXWHUVUTNPN-GXSJLCMTSA-N 317.349 -0.271 30 20 DBED CC(C)C#CC(=O)N1CC[C@@H](NC(=O)Cn2cnnn2)C[C@@H]1C 1074808590 RISXJOYACQZJMC-QWHCGFSZSA-N 318.381 -0.172 30 20 DBED C=CCOCC(=O)NCC[C@H](C)NC(=O)C(=O)NCC(F)F 1075920229 VYGCLLFEZOECMP-VIFPVBQESA-N 321.324 -0.419 30 20 DBED C#CCOCCC(=O)NCC[C@H](C)NC(=O)CCc1nc[nH]n1 1076504423 ZLXLOAKYMHWWGN-LBPRGKRZSA-N 321.381 -0.212 30 20 DBED C#CCO[C@@H](C)C(=O)NCC[C@H](C)NC(=O)CCNC(N)=O 1076510196 GNERCSUEDLWLHF-QWRGUYRKSA-N 312.370 -0.906 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)c2ccc3nn[nH]c3n2)C1 1077098385 YFYOUDQRZKZZKF-VXGBXAGGSA-N 302.338 -0.296 30 20 DBED C[C@@H](CCNC(=O)[C@@H](C)C#N)NC(=O)c1cn(C)c(=O)n1C 1078135220 UISALYVKXFUBBC-UWVGGRQHSA-N 307.354 -0.492 30 20 DBED C#CCCCC(=O)N[C@@H](C)CCNC(=O)CN1C(=O)CNC1=O 1078582117 VSRLSVBEBCVDKG-NSHDSACASA-N 322.365 -0.647 30 20 DBED CC(=O)NCC(=O)NC[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1O 1081204161 FTSTWPSAVVSXRQ-CHWSQXEVSA-N 323.393 -0.893 30 20 DBED N#CCSCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2ccc[nH]2)C1 1081249358 XSUJNKCUQGKKSS-CMPLNLGQSA-N 322.390 -0.179 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2ccn(C)n2)C[C@H]1O 1081347227 SMHVDZLXVAESCV-DGCLKSJQSA-N 322.365 -0.828 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)c2cccnn2)C[C@@H]1O 1081440058 XLBIWDVWLGUHCK-OCCSQVGLSA-N 316.361 -0.171 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)c2cncnc2)C[C@H]1O 1081442528 VZIJDVDVQXIYBO-UONOGXRCSA-N 316.361 -0.171 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H]2CN(Cc3ccn(C)n3)C[C@@H]21 1083026143 POTAVDRBVDIFGX-KWCYVHTRSA-N 303.366 -0.009 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1coc(C(N)=O)c1 1083152565 MMRJODUULWBYAW-WCQYABFASA-N 303.318 -0.463 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2cc(-c3ccn(C)n3)on2)C1 1083489856 BEUOTBDRWWICCE-OLZOCXBDSA-N 315.333 -0.517 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2cnnn2-c2ccccc2)C1 1083822602 JEKRWJHEFCAOBX-OCCSQVGLSA-N 312.333 -0.434 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)c2nc3nccc(C)n3n2)C1 1084022839 ZMYHPORCTIOMKE-NEPJUHHUSA-N 314.349 -0.769 30 20 DBED Cn1cc([C@@H]2CN(C(=O)c3nc[nH]n3)C[C@H]2NCC#N)cn1 1087002753 OIPWSZPCXAZECL-WDEREUQCSA-N 300.326 -0.740 30 20 DBED Cn1nc(C(=O)N[C@@H]2CCN(CC#N)C[C@H]2O)cc1C1CC1 1090307583 BIMAQFIMKGVYFV-BXUZGUMPSA-N 303.366 -0.014 30 20 DBED COC[C@@H](C)C(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1O 1090386821 AVPGZTKMFVVUMB-RAIGVLPGSA-N 304.350 -0.099 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2ccnc3[nH]nnc23)[C@@H](O)C1 1090419024 CFSQDOVPYYVLDU-RYUDHWBXSA-N 314.349 -0.459 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1O 1090445196 FOOKXPMCMZQBIJ-IJLUTSLNSA-N 317.349 -0.395 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2cnn3cccnc23)[C@H](O)C1 1090478267 FCFJJPQLWVQLFO-UONOGXRCSA-N 313.361 -0.082 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(c2cc(C)ncn2)C[C@H]1O 1090488383 IJGBJWALWAEPGY-YNEHKIRRSA-N 304.350 -0.511 30 20 DBED C#CCN1CC[C@H](NC(=O)c2c(C)c[nH]c2CC(N)=O)[C@@H](O)C1 1090582494 BKOJBRUXZNQRCK-AAEUAGOBSA-N 318.377 -0.851 30 20 DBED C#CCN1CC[C@H](NC(=O)c2c(C)nn3cccnc23)[C@H](O)C1 1090821273 ZPYWWLGXXPVTOG-QWHCGFSZSA-N 313.361 -0.164 30 20 DBED CCN(C)CCC(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@@H]1O 1091137395 KDYGZLWZZUVFQT-KGLIPLIRSA-N 317.393 -0.039 30 20 DBED N#Cc1ccc(N[C@H]2C[C@@H](CNC(=O)C3(C(N)=O)CC3)C2)nn1 1091395050 GBHVMVZAOSIGAQ-JGZJWPJOSA-N 314.349 -0.080 30 20 DBED CN(C)C(=O)CC(=O)N[C@H]1[C@@H]2CN(c3ccncc3C#N)C[C@@H]21 1093354936 CPVWAOVGACGHAW-ATCWAGBWSA-N 313.361 -0.018 30 20 DBED N#Cc1cnc(NCCNC(=O)C[C@H]2CCS(=O)(=O)C2)cn1 1093991795 LKELZXJCYKHYIM-SNVBAGLBSA-N 323.378 -0.299 30 20 DBED CNC(=O)NCC(=O)NCCNc1ccc([N+](=O)[O-])cc1C#N 1094204695 VMGJFUNRHVMFNT-UHFFFAOYSA-N 320.309 -0.076 30 20 DBED C=CCN1CC(n2cc(CNC(=O)[C@H]3CC(=O)N(C)C3)nn2)C1 1094294608 MAOGUWZHFMKJOR-NSHDSACASA-N 318.381 -0.585 30 20 DBED C[C@H](CC(=O)NCCCN=c1cc[nH]c(C#N)n1)NC(N)=O 1094594094 XTVGRPXUGZNIIL-SECBINFHSA-N 305.342 -0.865 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)c3cc(OC)no3)CC2=O)C1 1094727886 QMFXAKATIYCLKP-JTQLQIEISA-N 320.349 -0.116 30 20 DBED CS(=O)(=O)CC(=O)N[C@@H]1CCCN(c2cnc(C#N)cn2)C1 1096154932 ATVNPWHSPLBJSJ-SNVBAGLBSA-N 323.378 -0.522 30 20 DBED CS(=O)(=O)CCC(=O)N[C@@H]1CCN(c2ccnc(C#N)n2)C1 1096502891 WYMYGAZANZZZQU-SNVBAGLBSA-N 323.378 -0.522 30 20 DBED CNC(=O)NCC(=O)N1CC[C@H](N=c2cc(C)[nH]cc2C#N)C1 1096979960 LUYVJXCHMQCUOM-LBPRGKRZSA-N 316.365 -0.375 30 20 DBED C[C@H](CNC(=O)C[C@@H]1CCC(=O)N1)Nc1ccc(C#N)nn1 1097950732 VBUAZQQTIKNYLO-ZJUUUORDSA-N 302.338 -0.066 30 20 DBED C[C@@H](CNC(=O)CN1CCNC(=O)C1)Nc1ccc(C#N)nc1 1098188294 GVCJTTFKFSGXJH-NSHDSACASA-N 316.365 -0.698 30 20 DBED C[C@@H](CNC(=O)[C@@]1(C)CCNC1=O)N=c1cc[nH]cc1C#N 1098261497 QRGCAGCNHFVHES-BONVTDFDSA-N 301.350 -0.182 30 20 DBED C=CCCN(CCO)C1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 1098463615 SJDXPIFIYCVAQY-ZDUSSCGKSA-N 310.398 -0.471 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)c2cscn2)[C@H](O)C1 1099716634 YJDYNSOIEMDBDJ-ZYHUDNBSSA-N 322.390 -0.943 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2nccc(C)n2)[C@H](O)C1 1099800036 WRPREMSSMMRODP-UONOGXRCSA-N 318.377 -0.400 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)Cc2nnc(C)o2)[C@@H](O)C1 1099802161 QABUBPOZQGYYDU-OLZOCXBDSA-N 322.365 -0.878 30 20 DBED Cn1cc(CCN2CC[C@H](NC(=O)C#CC3CC3)[C@@H](O)C2)cn1 1099827069 SXRQOOZUWHPWIR-HOTGVXAUSA-N 316.405 -0.073 30 20 DBED N#Cc1cnc(N2CCC[C@@H]2CCCNC(=O)C(N)=O)cn1 1099876075 UMUBXFMSODYFFN-NSHDSACASA-N 302.338 -0.301 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)CCC(F)F)[C@H](O)C1 1099922419 VUAYEPZGXXDFPB-GHMZBOCLSA-N 317.336 -0.668 30 20 DBED C=CCCN1CC[C@@H](NC(=O)CCCS(N)(=O)=O)[C@H](O)C1 1099981843 ULTVLXVPDRSNJS-VXGBXAGGSA-N 319.427 -0.817 30 20 DBED CN1C[C@@H](C(=O)NCCN(C)c2ccc(C#N)nc2)NC1=O 1100255190 CTDACCYNXJLOFB-LBPRGKRZSA-N 302.338 -0.471 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1CC(NCCN2CCNC2=O)C1 1100322863 WTQOKUFMDNHIJC-HSBZDZAISA-N 322.409 -0.466 30 20 DBED N#Cc1ccc(N2CCC[C@@H]2CNC(=O)CNC(N)=O)cn1 1100779167 BRSGGLJRNRTTMW-LLVKDONJSA-N 302.338 -0.293 30 20 DBED CNC(=O)CC(=O)NC[C@H]1CCN(c2ccc(C#N)nn2)C1 1100977748 WNRVIFWRCKNHRW-SNVBAGLBSA-N 302.338 -0.573 30 20 DBED CS(=O)(=O)CC(=O)NCCN(c1ccc(C#N)nn1)C1CC1 1101301656 HPWBKVNGTDAGBZ-UHFFFAOYSA-N 323.378 -0.522 30 20 DBED CN(CCNc1ccc(C#N)nn1)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 1101960662 VVCUCRBZNUBMLB-WDEREUQCSA-N 318.337 -0.749 30 20 DBED CNC(=O)NCC(=O)N(C)CCNc1ncc(C#N)cc1F 1102018123 LIFIJAHETPBQMM-UHFFFAOYSA-N 308.317 -0.108 30 20 DBED C=CCN1C[C@@H](C)[C@H](CNC(=O)Cn2ccc(O)nc2=O)C1 1102128528 MEEBVULMZMCTTQ-VXGBXAGGSA-N 306.366 -0.181 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1CCNC(=O)[C@@H](C)NS(C)(=O)=O 1103471039 SITQSSGQTHIEIN-IJLUTSLNSA-N 316.427 -0.478 30 20 DBED C[C@H](CNC(=O)[C@@H]1CN(C)CCO1)CNc1nccnc1C#N 1103890356 VRGBOLHBQFBPFI-AAEUAGOBSA-N 318.381 -0.157 30 20 DBED CNC(=O)NCC(=O)N(C)[C@@H](C)CNc1cnc(C#N)cn1 1104855706 ABXGBVSHMXWFGW-VIFPVBQESA-N 305.342 -0.464 30 20 DBED C[C@@H]1CN(C(=O)Cn2c(O)nnc2O)C[C@H]1CCNCC#N 1104954965 BEWKGOYTFZORQV-NXEZZACHSA-N 308.342 -0.713 30 20 DBED CC#CCNCc1cn(C2CN(C(=O)[C@H](COC)OC)C2)nn1 1105323980 MYTRWVJQFJBZOD-AWEZNQCLSA-N 321.381 -0.564 30 20 DBED C#CCN1CC(OC2CCN(C(=O)[C@@H](C)NC(C)=O)CC2)C1 1105684848 JGXPNRKBOJZGFF-GFCCVEGCSA-N 307.394 -0.164 30 20 DBED N#Cc1cnc(NC[C@@H](O)CNC(=O)C[C@@H]2CCOC2)cn1 1105760757 YHTQJAJWTQNFCO-CMPLNLGQSA-N 305.338 -0.336 30 20 DBED CN1CCO[C@H](C(=O)NC[C@@H](O)CNc2ccc(C#N)cn2)C1 1105769941 RJYVCBYLUZQOOP-STQMWFEESA-N 319.365 -0.827 30 20 DBED COCc1nc(C)cc(NC[C@@H](O)CNC(=O)[C@@H](C)C#N)n1 1105771983 VOWTWQQAZVEPGT-GXSJLCMTSA-N 307.354 -0.020 30 20 DBED C=CCO[C@H](C)C(=O)NC[C@@H](O)CNc1nc[nH]c2ncnc1-2 1105892340 VQSMNHNAXUJYBQ-ZJUUUORDSA-N 320.353 -0.215 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H](O)CNC(=O)Cc1cscn1 1106127199 VOILVGVCWYYYMB-GFCCVEGCSA-N 317.374 -0.037 30 20 DBED COCCN1C[C@H](C(=O)N2C[C@@H](C)[C@H](CNCC#N)C2)CC1=O 1106198931 SWTAEXWDCXAVJN-MGPQQGTHSA-N 322.409 -0.311 30 20 DBED Cc1nc(CC(=O)N[C@H](C)CCN=c2cc[nH]c(C#N)n2)n[nH]1 1106303493 VERIZJABIYQOHP-SECBINFHSA-N 314.353 -0.254 30 20 DBED C[C@H](CNc1cncc(C#N)n1)NC(=O)c1cc(=O)n(C)o1 1107697294 IVRAJVGPUNTZSW-MRVPVSSYSA-N 302.294 -0.130 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@]1(C)CN(Cc2cnon2)CCO1 1107940940 ZAXGGFUUFKYTII-IUODEOHRSA-N 322.365 -0.185 30 20 DBED CC(=O)N1CC(C(=O)N[C@@H](C)CN=c2cc[nH]cc2C#N)C1 1108330405 VUCNTBOIHZKXGF-JTQLQIEISA-N 301.350 -0.230 30 20 DBED C=CCN1CCO[C@](C)(CNC(=O)[C@@H]2CCCS2(=O)=O)C1 1108410488 REFYLBNFVBQZHX-GXTWGEPZSA-N 316.423 -0.043 30 20 DBED C=CCCCN1CC(N2C[C@@H](NC(=O)CNC(C)=O)CC2=O)C1 1108499251 XUEODQCVLCUGHA-ZDUSSCGKSA-N 322.409 -0.510 30 20 DBED N#CCN1CC(N2C[C@@H](NC(=O)CC[C@H]3CCCO3)CC2=O)C1 1108506735 YVHHACHULCRXFY-GXTWGEPZSA-N 320.393 -0.130 30 20 DBED C#CCCCCC(=O)N[C@H]1CC(=O)N(C2CN(CCO)C2)C1 1108537872 WZDFWYSXKFOAHL-ZDUSSCGKSA-N 307.394 -0.426 30 20 DBED C=C(C)CN1CC(N2C[C@@H](NC(=O)CC(=O)NCC)CC2=O)C1 1108538241 FOYJQRQPQBWRRH-LBPRGKRZSA-N 322.409 -0.510 30 20 DBED Cc1c(CC(=O)N[C@@H](C)CN=c2cc[nH]c(C#N)n2)cnn1C 1108571822 TZSKJWGXMBBVRY-JTQLQIEISA-N 313.365 -0.029 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H](NC(=O)[C@H]1CCNC1=O)C1CC1 1109946002 NFEHZRLJYSQQLJ-JSGCOSHPSA-N 313.361 -0.182 30 20 DBED C[C@]1(NC(=O)CCNC(N)=O)CCN(c2cnc(C#N)cn2)C1 1110760228 GLOHYCVLRVTWFX-AWEZNQCLSA-N 317.353 -0.508 30 20 DBED N#CCSCC(=O)N(CCO)CCNc1ccc(C#N)nn1 1111441785 GRKRZTVXZNVYDK-UHFFFAOYSA-N 320.378 -0.162 30 20 DBED CO[C@H](C(=O)N(CCO)CCN=c1cc[nH]c(C#N)n1)C1CC1 1111459264 VJYZKWPAETUBNZ-AWEZNQCLSA-N 319.365 -0.572 30 20 DBED N#Cc1c[nH]ccc1=NCC[C@@H]1CCN(C(=O)CNC(N)=O)C1 1111593954 OYVQNGYFKAAHEQ-LLVKDONJSA-N 316.365 -0.306 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(c2nccnc2C#N)C[C@H]1O 1112720510 LPIWCIBZFLBGPZ-GXTWGEPZSA-N 313.361 -0.079 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(c2nc(C)ns2)C[C@@H]1O 1112738522 PYDNSALENTXWEH-NEPJUHHUSA-N 324.406 -0.200 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)COC)[C@H]2C1 1113759085 YLFPDZRAMQQQHY-DCQANWLSSA-N 324.381 -0.921 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)c3cc(C)on3)[C@H]2C1 1113818742 IDSZBISICKLVBQ-CIQGVGRVSA-N 316.361 -0.219 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)c3cnn(C)c3C)[C@@H]2C1 1113857112 JEDTZDPOJOENNP-CHWSQXEVSA-N 317.393 -0.309 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3c(C)cnn3C)[C@H]2C1 1114707620 NROCBIRBQYXVEI-IMRBUKKESA-N 315.377 -0.862 30 20 DBED CN(C)CCCCC(=O)NC1[C@H]2CN(CC(=O)NCC#N)C[C@H]12 1115145441 HIEVPOQYWPJZOH-STQMWFEESA-N 321.425 -0.596 30 20 DBED C=CCC[C@H](C)N1C[C@@H]2C(NC(=O)CN3C(=O)CNC3=O)[C@H]2C1 1115210519 JCJNXLXCIZQGKH-SRVKXCTJSA-N 320.393 -0.061 30 20 DBED C=C(C)CCN1C[C@H]2C(NC(=O)CS(=O)(=O)NC)[C@@H]2C1 1115250401 WMMMBFQNBYBZDI-GHMZBOCLSA-N 301.412 -0.452 30 20 DBED COC[C@H](OC)C(=O)N(C)C[C@H](C)N=c1cc[nH]c(C#N)n1 1120627510 VFBSNZDKDVPZLL-QWRGUYRKSA-N 307.354 -0.310 30 20 DBED Cc1cc(C#N)nc(N[C@H](CO)CNC(=O)C2=COCCO2)n1 1121010836 RWOVCZGHPYXBJY-NSHDSACASA-N 319.321 -0.566 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)Cn2cncn2)cn1 1121535384 BRCCDZSPXFHPJR-LBPRGKRZSA-N 301.310 -0.866 30 20 DBED C=CCn1c([C@@H](O)COC)nnc1N1C[C@H](OC)[C@H](OC)C1 1121731667 BPINUPRNAOBTEF-SDDRHHMPSA-N 312.370 -0.006 30 20 DBED Cc1cc(C#N)nc(N[C@H](CO)CNC(=O)c2nonc2C)n1 1121733673 DJBQEVITIUQZQG-JTQLQIEISA-N 317.309 -0.449 30 20 DBED N#Cc1cnc(N[C@@H](CO)CNC(=O)[C@@H]2CCC(=O)N2)c(F)c1 1121819323 RCGKQFRJIORFNF-KOLCDFICSA-N 321.312 -0.740 30 20 DBED CC1(Cn2cc(C(=O)[C@@H](C#N)C(=O)NC3CC3)nn2)COC1 1122414445 DWRJLQIGOMEFGS-SNVBAGLBSA-N 303.322 -0.084 30 20 DBED C[C@@H](NCCNC(=O)CSCC#N)C(=O)Nc1ncccn1 1123792195 MGERDQWUTJRYBQ-SNVBAGLBSA-N 322.394 -0.234 30 20 DBED COCCC(=O)N(C)C[C@H](O)CN=c1cc(C)[nH]cc1C#N 1124018313 WPXILNOCQXAQOR-CYBMUJFWSA-N 306.366 -0.049 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]cc1C#N)C(=O)CN1CCCC1 1124351800 GOOGYYARBMJLCZ-AWEZNQCLSA-N 317.393 -0.298 30 20 DBED C[C@H](C#N)C(=O)NCCN[C@@H]1CCCN(c2cnn(C)c2)C1=O 1124903174 OXPDKJHQJRQEAD-DGCLKSJQSA-N 318.381 -0.219 30 20 DBED C#CCNCc1nnc2n1CC[C@H](NC(=O)CC(C)(C)O)CC2 1128006962 YUEAMGBAAYXXHB-GFCCVEGCSA-N 319.409 -0.017 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cccc2c1COCC2 1129223871 JBNAVQTZOJATSH-UHFFFAOYSA-N 315.373 -0.172 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)C[C@H]2CCC(=O)NC2)C1=O 1129256804 UTRUSMQDLDIGKG-CHWSQXEVSA-N 322.409 -0.605 30 20 DBED CCO[C@@H](C)C(=O)NCc1nc([C@@H]2COCCN2CC#N)n[nH]1 1130831866 PXRPFCJMPXCFFC-QWRGUYRKSA-N 322.369 -0.257 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)C1CN(C(C)=O)C1 1134240237 OEHHUEWPBPWATR-NWDGAFQWSA-N 322.409 -0.913 30 20 DBED C#CCN[C@@H](C)C[C@H](C)NC(=O)CN(C)CC(=O)NC(C)C 1134838967 GYOLSJHYUNAMOR-KBPBESRZSA-N 310.442 -0.051 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@@H](C)OCCOCC 1152201494 DRMAAJXAOOXLFU-QWHCGFSZSA-N 313.398 -0.728 30 20 DBED C=CCNC(=O)CN(CC)[C@H](C)CNC(=O)c1nnn(C)c1C 1152596970 KGBKYFYUQMCAAI-LLVKDONJSA-N 322.413 -0.134 30 20 DBED C=CCOCCN(CC)[C@H](C)CNC(=O)CNC(=O)NC 1153720588 LVYUYHGJMYTXMI-GFCCVEGCSA-N 300.403 -0.055 30 20 DBED C=CCNC(=O)NC(=O)CNCCCNC(=O)COC(C)C 1155389926 TZFXGKXEHKXYLG-UHFFFAOYSA-N 314.386 -0.481 30 20 DBED C=CCCO[C@H](C)C(=O)NCCCN[C@@H]1CCC(=O)NC1=O 1155446523 MCAPCWRMTUAKNI-VXGBXAGGSA-N 311.382 -0.131 30 20 DBED C#CCOCCC(=O)NCCCNCc1nnnn1C1CC1 1157859854 YCEMGNGYHXNUIN-UHFFFAOYSA-N 306.370 -0.356 30 20 DBED CN(CC#N)C[C@H]1CCCCN1C(=O)CN1CC(=O)NC1=O 1158611531 HPIZZTUPHXXYOV-LLVKDONJSA-N 307.354 -0.625 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCCNCc1cn(C)nn1 1160198126 SUPPGAPDKSTPIV-AWEZNQCLSA-N 304.398 -0.491 30 20 DBED C#CCN1CCC(CNC(=O)Cn2nccn2)(COC)CC1 1162288228 LAZWHVGZOWGQMM-UHFFFAOYSA-N 305.382 -0.244 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@@]1(C)CCN(C(C)=O)C1 1170440119 FUUXEZSAQPTMDE-INIZCTEOSA-N 322.409 -0.910 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)C(C)(C)c1cnc[nH]1 1171257745 ATMOMDUKPWYIPD-LBPRGKRZSA-N 319.409 -0.079 30 20 DBED C=CCN1CC[C@H](N[C@@H]2CCN(C(=O)CC(=O)NC)C2)C1=O 1182179780 SUMJKDIRMSXMKH-NEPJUHHUSA-N 308.382 -0.900 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)CCc2ccnn2C)C1 1182927274 KBXHPDLHHFCGCW-CYBMUJFWSA-N 319.409 -0.155 30 20 DBED C#Cc1cncc(C(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)c1 1185558325 WADYTZUXYWXKRQ-CQSZACIVSA-N 311.345 -0.493 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2cccnn2)C1 1186521188 XLROWWPRDMODNH-VXGBXAGGSA-N 301.350 -0.581 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)c2ccc(C(N)=O)cn2)C1 1188339526 PCHRAMPVDOQFNY-CYBMUJFWSA-N 316.361 -0.366 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)C2CN(C(C)=O)C2)C1 1189846665 GHXXUCNXNLFNGP-AWEZNQCLSA-N 322.409 -0.700 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](N(C)[C@H]2CCC(=O)NC2=O)C1 1190129223 RLLMECSOARKGBA-OLZOCXBDSA-N 321.377 -0.636 30 20 DBED C=CCCC(=O)N[C@@H]1CN(CCNC(=O)NC(C)C)C[C@H]1O 1191724440 FQDAZYXZSTXBQQ-CHWSQXEVSA-N 312.414 -0.179 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)CN(C)C(=O)COC)C1 1193483090 VENVEDZJSUXECQ-CHWSQXEVSA-N 313.398 -0.781 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2nonc2C)C1 1194470452 DMLDGNYBYDHYAW-NSHDSACASA-N 307.354 -0.173 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)Cc2occc2C)C1 1196031646 YLAUDJPXUKEEAL-ZIAGYGMSSA-N 306.362 -0.058 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)c2ccco2)C1 1196136606 BTMYIESRXFJXSD-YNEHKIRRSA-N 319.361 -0.706 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2nocc2C)C1 1197520072 TYRRNXGQYSDPPD-GHMZBOCLSA-N 308.338 -0.940 30 20 DBED N#CCNC(=O)CN1CCCN(C(=O)[C@H]2C[C@@]23CCOC3)CC1 1197722062 WCHOEUOKGURATI-CZUORRHYSA-N 320.393 -0.413 30 20 DBED COCC#CCNC[C@H]1CN(C(=O)c2cc[nH]n2)CCCO1 1199903864 KEOANSOJDWKELO-ZDUSSCGKSA-N 306.366 -0.120 30 20 DBED CC[C@H](NC[C@H]1CN(C(=O)C#CC2CC2)CCCO1)C(N)=O 1200453144 RHOHWADATYZTNY-KBPBESRZSA-N 307.394 -0.129 30 20 DBED C=CCNC[C@H]1CN(C(=O)[C@H](C)N2C(=O)CCC2=O)CCCO1 1200635147 RYBBZVHJPWKHKT-STQMWFEESA-N 323.393 -0.083 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)C(C)(C)COC)CC1 1201609474 GBAPBOCXQNXKRE-UHFFFAOYSA-N 309.410 -0.011 30 20 DBED CCC(=O)N1CC[C@@H](C(=O)N2CCCO[C@H](CNCC#N)C2)C1 1201800690 OGTFNRRKXLHFDG-ZIAGYGMSSA-N 322.409 -0.024 30 20 DBED C=CCNC[C@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)N2)CCCO1 1202078393 FMXUUKZVTWZZLK-RYUDHWBXSA-N 317.411 -0.929 30 20 DBED C#CCCN[C@H]1C[C@@H](NC(=O)CS(=O)(=O)NC)C12CCC2 1203744481 ZSULRMBVWULQKK-NWDGAFQWSA-N 313.423 -0.424 30 20 DBED C=CCNC(=O)CNCC1CCN(C(=O)[C@H]2CCNC2=O)CC1 1205866977 QHSNTSZPUHLQLA-ZDUSSCGKSA-N 322.409 -0.747 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(CCS(C)(=O)=O)C[C@H]1C 1206606500 DCISTPUZVYXTHR-VXGBXAGGSA-N 304.412 -0.330 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(Cc2nc(C)no2)C[C@H]1C 1206887241 CPBXRPHFENVRHN-ZYHUDNBSSA-N 319.365 -0.546 30 20 DBED C=CCOCC(=O)N1CCC[C@@H](N[C@H]2CCC(=O)NC2=O)C1 1207684478 OUISBZXFDCUUOC-NEPJUHHUSA-N 309.366 -0.425 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)[C@H]2OCCO[C@H]2C)C1 1208359645 YQOIUUJCMDLGMM-YDHLFZDLSA-N 323.393 -0.880 30 20 DBED CC#CCN1C[C@@H](NC(=O)CCn2cc[nH]c(=O)c2=O)[C@H](C)C1 1209555234 XXMHALYQYYJORZ-CHWSQXEVSA-N 318.377 -0.614 30 20 DBED C#CCN1C[C@@H](NC(=O)CNS(=O)(=O)CCCC)[C@H](C)C1 1210650748 AEJCBBMFFKDMSA-CHWSQXEVSA-N 315.439 -0.224 30 20 DBED C=C(Cl)CN1C[C@@H](NC(=O)CCS(C)(=O)=O)[C@H](OC)C1 1212474322 IQZZWIJOUILPBH-GHMZBOCLSA-N 324.830 -0.011 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](NCc2ccn(C)n2)[C@H](C)C1 1214472599 VBQVGLHMUVJFAM-TZMCWYRMSA-N 317.393 -0.504 30 20 DBED C#CCCN[C@@H]1CN(C(=O)CN2CCCS2(=O)=O)C[C@H]1C 1214789994 AIWLZKXNSFUCEH-CHWSQXEVSA-N 313.423 -0.518 30 20 DBED C=C(C)CN[C@@H]1CN(C(=O)[C@H](C)NS(C)(=O)=O)C[C@H]1C 1215685639 SXCWUQNCRHTKIV-GRYCIOLGSA-N 303.428 -0.063 30 20 DBED C#Cc1ccc(C(=O)N2C[C@@H](NCC(=O)NC)[C@H](C)C2)nc1 1216451770 FYYXRBZLJIZCEK-BXUZGUMPSA-N 300.362 -0.141 30 20 DBED C=CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CS(=O)(=O)CC 1219053459 FJRRTWHHKTWXPS-QWHCGFSZSA-N 316.423 -0.091 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)c2ccc(C)n2C)C1 1219177100 LHTOURIVMQQLGV-HIFRSBDPSA-N 305.378 -0.242 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(CC(=O)N[C@@H](C)CC)C[C@@H]1O 1219361799 FYBIRBQGUAUVHK-XQQFMLRXSA-N 313.398 -0.735 30 20 DBED CC(C)n1ncnc1CN1C[C@H](O)[C@H](NC(=O)[C@H](C)C#N)C1 1219379624 VRZJQOVCVBIROR-UTUOFQBUSA-N 306.370 -0.320 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(C[C@H](O)Cn2cccn2)C[C@@H]1O 1219523775 NTBUEIAYOBMNOZ-ZNMIVQPWSA-N 320.393 -0.791 30 20 DBED C=CCCCN1C[C@H](O)[C@H](NC(=O)[C@@H](C)NC(=O)COC)C1 1219675181 QDRWUZYWIJOGRZ-UPJWGTAASA-N 313.398 -0.735 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@H](C)NC(=O)CC(F)(F)F)C1 1219682504 IABYUQDFUFIQSX-AEJSXWLSSA-N 321.299 -0.762 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)COC2CCN(C)CC2)C1 1220638131 SXBOWOIDHAISHI-CABCVRRESA-N 311.426 -0.165 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)CCc2cn(C)nn2)C1 1221192832 MMETUIHNENNJQC-NEPJUHHUSA-N 313.789 -0.339 30 20 DBED CCOCCC(=O)NCC1CCN(CC(=O)NCC#N)CC1 1222604403 BMBFKCQAUPYPJE-UHFFFAOYSA-N 310.398 -0.119 30 20 DBED C#CCCN1CCC(CNC(=O)CCNC(=O)COC)CC1 1223374279 NTYCUQPCSFVCIA-UHFFFAOYSA-N 309.410 -0.009 30 20 DBED C#CCN1CCS(=O)(=O)[C@@H](CCNC(=O)CCOCC)C1 1230436426 ORJRAALFIHMXQU-ZDUSSCGKSA-N 316.423 -0.349 30 20 DBED C#CCO[C@@H](C)C(=O)NCC[C@H]1CN(CC)CCS1(=O)=O 1230461605 AGWXMYIERQAQDB-STQMWFEESA-N 316.423 -0.350 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)CCCNC(=O)c1cc(C)nn1C 1234602465 KKAQHPCIXJQMHO-CYBMUJFWSA-N 319.409 -0.082 30 20 DBED C=CCN1CC[C@@H]1CN(C)C(=O)Cn1ccc(=O)n(C)c1=O 1235007600 QJDQPTYZLANFCQ-GFCCVEGCSA-N 306.366 -0.734 30 20 DBED CN(C)C1(CNC(=O)C(=O)N2CC[C@](O)(CC#N)C2)CCCC1 1261461888 BEPULEGTMIORDN-MRXNPFEDSA-N 322.409 -0.146 30 20 DBED Cn1cc([C@@H](CO)NC(=O)NC2CCN(CC#N)CC2)cn1 1319516353 WTWILPCEVQDAFX-CYBMUJFWSA-N 306.370 -0.259 30 20 DBED C#CCOCCNC(=O)C(=O)NC[C@@H]1CCN(CC(C)C)C1 1323699232 QYFMAJCQQNLDBI-AWEZNQCLSA-N 309.410 -0.154 30 20 DBED C=CC[C@H](CC)NC(=O)C(=O)N1CC[C@H](S(N)(=O)=O)C1 1324711911 YJSNIMCKCPUUFM-UWVGGRQHSA-N 303.384 -0.653 30 20 DBED C=CCNC(=O)[C@H](C)S(=O)(=O)c1nnc(CO)n1CCC 1325860170 JJKGTLYTHBPPEB-VIFPVBQESA-N 316.383 -0.355 30 20 DBED C=CCN(C(=O)C(=O)NCC(C)(C)NS(C)(=O)=O)C(C)C 1328790191 AFSHEUSWMZCSCJ-UHFFFAOYSA-N 319.427 -0.147 30 20 DBED C=C(C)CN(C)C(=O)C(=O)N1CCN(S(C)(=O)=O)CC1 1328962006 HIEVBFDWRGNWER-UHFFFAOYSA-N 303.384 -0.875 30 20 DBED N#C[C@]1(F)CCN(C(=O)C(=O)N2CCO[C@@H](C(F)F)C2)C1 1329717939 CMRPUXWFTISZSS-PRHODGIISA-N 305.256 -0.057 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCC[C@@H]1COC 1330417017 IZXZZAYFALYFGP-LLVKDONJSA-N 318.395 -0.659 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N1CC(c2nc(C)no2)C1 1330877978 VNSVEFRQCNVUFP-LBPRGKRZSA-N 320.349 -0.152 30 20 DBED N#CC[C@H]1CCCN(C(=O)C(=O)N2CC[C@H](NC(N)=O)C2)C1 1333435154 CEZZXMIUFPPERX-MNOVXSKESA-N 307.354 -0.592 30 20 DBED N#CCC1(CNC(=O)C(=O)N2CCC3(CC2)CNC(=O)C3)CC1 1343810401 PUTIYAVNDGJABH-UHFFFAOYSA-N 318.377 -0.075 30 20 DBED CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)C[C@H](C)O1 1345965454 IIIYXFWXFHBXMJ-ZOWXZIJZSA-N 309.366 -0.111 30 20 DBED N#CCC1(CS(=O)(=O)N2CCC[C@H](S(N)(=O)=O)C2)CC1 1363832001 LQRZXEBEZQDKOR-JTQLQIEISA-N 321.424 -0.237 30 20 DBED COc1c(O)nc(O)nc1C(=O)N1CCN(CCC#N)CC1 1364497915 VVBBSWCNHNVMCA-UHFFFAOYSA-N 307.310 -0.432 30 20 DBED CC(=O)NC[C@H]1CN(C(=O)NCC2(C#N)CCOCC2)CCO1 1364754496 PHJSJZHOKTYIPN-ZDUSSCGKSA-N 324.381 -0.147 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)CCc2cccnc2)C1 1371470564 WXOILWQJDZAARN-IACUBPJLSA-N 316.361 -0.138 30 20 DBED C[C@@H](CN(C)C(=O)c1cc(C#N)c[nH]1)NC(=O)[C@@H](C)CC(N)=O 1381938612 JXOVTUXAONNPEN-UWVGGRQHSA-N 319.365 -0.025 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCNC(=O)[C@@H]1CCCCS1(=O)=O 1386941562 JGWCQXUEGZZNTK-QWRGUYRKSA-N 315.395 -0.312 30 20 DBED COCCN(CCNC(=O)[C@H](C)C#N)[C@H]1CCCN(C)C1=O 1394830276 RPYPFMUXQJOXAV-OLZOCXBDSA-N 310.398 -0.169 30 20 DBED C[C@H](C#N)C(=O)NCC1CN(CC(=O)NC[C@@H]2CCCO2)C1 1400472939 OBUGZSBWLMZFGB-YPMHNXCESA-N 308.382 -0.511 30 20 DBED COCCN(CCNC(=O)[C@H](C)C#N)C(=O)c1ccnnc1 1405758336 HIQAVGNUTYDWDQ-LLVKDONJSA-N 305.338 -0.159 30 20 DBED COCCN(CCOC)C(=O)CCn1cc(C#N)c(O)nc1=O 1411608273 AUAYHFHWVXBSFI-UHFFFAOYSA-N 324.337 -0.668 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCCN(C(=O)[C@H](C)NC(N)=O)C2)C1 1412175700 WIULLBUMIGCOCP-QWRGUYRKSA-N 321.381 -0.346 30 20 DBED C[C@H](C#N)C(=O)N(C)CCNC(=O)CCCS(C)(=O)=O 1429359946 QTBJPUBGXPPBBY-SNVBAGLBSA-N 303.384 -0.455 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C(=O)CS(C)(=O)=O)C1CC1 1429942075 BILWXIDONRSPCK-VIFPVBQESA-N 301.368 -0.702 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@](C)(CNC(=O)Cn2ncnn2)C1 1432744586 GRBGPWYQQPPOAO-RISCZKNCSA-N 319.369 -0.422 30 20 DBED N#Cc1ncn(CCNC(=O)N2CCC[C@@H]2C2OCCO2)n1 1434799169 IDCXSHLXZLOHDB-SNVBAGLBSA-N 306.326 -0.303 30 20 DBED CCS(=O)(=O)NCC(=O)NC[C@@H](C)N(C)C(=O)[C@@H](C)C#N 1442774913 AUNBWJTVPYRVIO-VHSXEESVSA-N 318.399 -0.952 30 20 DBED CCCn1c(C)nnc1CN1CC(O)(CNC(=O)[C@@H](C)C#N)C1 1446833366 UNPGAEOOUPVLKX-NSHDSACASA-N 320.397 -0.181 30 20 DBED CC(=O)NCC(=O)N1C[C@H](NC(=O)c2c[nH]c(C#N)c2)C[C@H]1C 1451639447 KPVPCCSYFYWWQP-NOZJJQNGSA-N 317.349 -0.258 30 20 DBED CS(=O)(=O)c1ccc(C(=O)N2CC[C@](O)(CC#N)C2)cn1 1452241918 DXXWCFMACFNXIF-CYBMUJFWSA-N 309.347 -0.024 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C(=O)COCc2nncn2C)CC1 1453517631 GGFQVNXCGGLVDN-LLVKDONJSA-N 320.353 -0.838 30 20 DBED Cc1n[nH]c(C)c1CC(=O)NC[C@H](O)CNC(=O)[C@H](C)C#N 1501520169 XXHWWOYAIPMHME-KCJUWKMLSA-N 307.354 -0.678 30 20 DBED C[C@H](CN(C)C(=O)CCn1cc(C#N)c(O)nc1=O)C(=O)O 1571097719 DAKXOWDDDFDMNI-MRVPVSSYSA-N 308.294 -0.610 30 20 DBED N#Cc1cnc(N2C[C@H]3[C@H](NC(=O)[C@H]4C[C@@H]4C(=O)O)[C@H]3C2)cn1 1571118991 PLTWZTLOLZQOIU-HKLXJQGRSA-N 313.317 -0.380 30 20 DBED C=C[C@](C)(O)CC(=O)NCCNc1ccc(-c2nn[nH]n2)nn1 1573309778 OHTFZSCWSIRIOT-ZDUSSCGKSA-N 318.341 -0.488 30 20 DBED C=C(CCC(=O)OC)C(=O)NCC[C@@H]1CNCCS1(=O)=O 1574849520 OKPWWCAMUAQSNJ-LLVKDONJSA-N 318.395 -0.611 30 20 DBED C=CCOC[C@@H](NC(=O)[C@H](N)Cc1ccccn1)C(=O)OC 1574943260 FPRJMABYCLZUAD-CHWSQXEVSA-N 307.350 -0.188 30 20 DBED CC#CC[C@@H](N)C(=O)NCC1CCN(S(=O)(=O)CC)CC1 1574971810 IYUWWVODWCRSTH-CYBMUJFWSA-N 315.439 -0.095 30 20 DBED CC1(C)NCC[C@@H]1NC(=O)CCn1cc(C#N)c(O)nc1=O 1576487295 ITJARIQACLYVRJ-JTQLQIEISA-N 305.338 -0.533 30 20 DBED N#Cc1c(-c2nn[nH]n2)nc(N)n1C[C@H]1CCCS(=O)(=O)C1 1581860713 PFVHPOHNFNBOBO-SSDOTTSWSA-N 322.354 -0.658 30 20 DBED C#CCN(CC(=O)O)CC(=O)NC(=O)c1ccc(OC)cc1 1588419753 DDBWELYSKWFUEO-UHFFFAOYSA-N 304.302 -0.029 30 20 DBED C=CCCO[C@@H](C)C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)O 1588459822 FXZSPUOXAXMJGV-VHSXEESVSA-N 305.352 -0.322 30 20 DBED C#CCN(C)CCCNS(=O)(=O)c1cc(C(=O)O)[nH]n1 1588463779 KPYLOBYLKQLDJP-UHFFFAOYSA-N 300.340 -0.659 30 20 DBED C[C@@]1(C(=O)O)CCCN(C(=O)Cn2cc(C#N)c(O)nc2=O)C1 1593766095 FWQMGYUUFRENKS-CQSZACIVSA-N 320.305 -0.466 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)O)CCO1 1601062698 ISPRVGPNQSCBST-OPRDCNLKSA-N 303.340 -0.702 30 20 DBED N#Cc1cccc(N2CCN(CCC(=O)NCC(=O)O)CC2)n1 1601122751 SSXXLAKDTRSAGF-UHFFFAOYSA-N 317.349 -0.334 30 20 DBED C#C[C@@H]1CCCCN1C(=O)C(=O)Nc1ccn(CC(=O)O)n1 1602672481 NEHKSCMDTLBHBE-SNVBAGLBSA-N 304.306 -0.080 30 20 DBED C[C@@H]1C[C@H](C(=O)N2CCN(C(=O)CC#N)CC2)O[C@H]1C(=O)O 1607441007 FIKZITOFDOVRGZ-CKYFFXLPSA-N 309.322 -0.551 30 20 DBED CCN(CCCNC(=O)[C@@H](C)C#N)CC(=O)NC(=O)NC1CC1 1752170643 MPVJGMDADPBKHU-NSHDSACASA-N 323.397 -0.038 30 20 DBED N#CCNC(=O)CN(CCCNC(=O)[C@@H]1[C@H]2COC[C@H]21)C1CC1 1752273088 CVKXIHNDIWMWNO-NHAGDIPZSA-N 320.393 -0.511 30 20 DBED C[C@@H](NC(=O)CCNS(C)(=O)=O)[C@@H]1CCCN(CC#N)C1 1752835434 FQECDZBFTBPCFH-VXGBXAGGSA-N 316.427 -0.334 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@H]1[C@@H]2CN([C@H](C)C(=O)N(C)C)C[C@@H]21 1752844033 YIOAGCJKGUXCIQ-APLFDDQLSA-N 309.410 -0.163 30 20 DBED C#CCNC(=O)CNC1CCC(NC(=O)c2cnn(C)c2)CC1 1752847681 ZWOGYOUVSKSDAN-UHFFFAOYSA-N 317.393 -0.200 30 20 DBED C#CCCN(C)[C@H]1CCCN(C(=O)C[C@@H]2CC(=O)NC2=O)C1 1753001036 RPEVQJCZJACWME-STQMWFEESA-N 305.378 -0.015 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@H]1CCCN1Cc1nc(=O)n(C)[nH]1 1753106352 WTTWKLUQLFUCSS-NHYWBVRUSA-N 323.397 -0.484 30 20 DBED C#CCNC[C@@H]1CCC[C@H]1NC(=O)CN1CCCS1(=O)=O 1753886419 ANAYSNFRBRRJLO-QWHCGFSZSA-N 313.423 -0.470 30 20 DBED CCn1cc(CC(=O)NC[C@H](O)CNCC#CCOC)cn1 1753933546 NBJHLAPUMWPYSX-CQSZACIVSA-N 308.382 -0.838 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)C[C@H](C)NC(=O)c1cn(C)nn1 1754307361 AKFGHLCNQXJGHC-WDEREUQCSA-N 306.370 -0.997 30 20 DBED C=CCNC(=O)CN1C[C@H]2C[C@H]1[C@H]2NC(=O)CNC(=O)C1CC1 1754420950 VDWDZIJUNPOTIP-XUJVJEKNSA-N 320.393 -0.996 30 20 DBED C#CCN(C(=O)[C@H](C)C#N)C1CCN(CC(=O)NC(N)=O)CC1 1754636577 ZUVWBBVAABXOBE-LLVKDONJSA-N 319.365 -0.733 30 20 DBED C=CCN1CC[C@](O)(CNC(=O)[C@@H]2CCCN(C(N)=O)C2)C1 1754752167 CHOYKSVHMVJGON-DOMZBBRYSA-N 310.398 -0.484 30 20 DBED COCC#CCN1CC(O)(CNC(=O)[C@@H](C)OCC2CC2)C1 1754765238 GINZXZKQGMBZQC-CYBMUJFWSA-N 310.394 -0.386 30 20 DBED C=C(C)CNCCN(CCO)C(=O)c1ccc2nn[nH]c2n1 1754884424 YESCZDLRKQBTSH-UHFFFAOYSA-N 304.354 -0.047 30 20 DBED C=CCNC(=O)[C@@H](C)NC[C@H]1CN(C(=O)COCC)CCO1 1754993950 AJISMDTYTGDEMS-OLZOCXBDSA-N 313.398 -0.469 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)[C@@H](C)CS(C)(=O)=O)CCO1 1755016688 DQWOBQMMBZIMSD-QWHCGFSZSA-N 316.423 -0.493 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H](C)N(C)Cc1ncnn1C 1755303533 NNHQTJGDGINOLX-KBPBESRZSA-N 318.425 -0.151 30 20 DBED Cn1nnc(C(=O)NC[C@@H](CO)NCC#N)c1C(F)(F)F 1755640721 PJLCEKWTNPRRHT-LURJTMIESA-N 306.248 -0.962 30 20 DBED CCC[C@H](C(=O)N1C[C@@H](NCC#N)C(C)(C)C1)S(N)(=O)=O 1755760713 SLHLKJNHODBVLP-GHMZBOCLSA-N 316.427 -0.206 30 20 DBED C#CCCN[C@H]1CN(C(=O)CN2CCC(=O)NC2=O)CC1(C)C 1755763070 ODRRNLQSTHHUIT-LBPRGKRZSA-N 320.393 -0.222 30 20 DBED C=CC(C)(C)C(=O)N[C@@H](CO)CNC(=O)c1coc(C(N)=O)c1 1756534797 ABTIZWXFNLJXMG-SNVBAGLBSA-N 323.349 -0.202 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CCN(C(=O)c2cc[nH]n2)[C@H]1C 1756555771 OZYZAUNMXNJLIM-QWRGUYRKSA-N 317.349 -0.732 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(C(=O)c2cscn2)C[C@H]1O 1756997248 KXTBNDRFQZTQDB-HOSYDEDBSA-N 323.374 -0.517 30 20 DBED CNC(=O)CNC(=S)NN=Cc1ccc(C(=O)O)c(O)c1 1776042365 IUHOTXXIOGJNPV-UHFFFAOYSA-N 310.335 -0.366 30 20 DBED Cn1ncc(C(=O)O)c1C=NN1C(=O)[C@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C1=O 1776102526 RQWKFJMXDJIQDH-ZNSHCXBVSA-N 316.273 -0.609 30 20 DBED C#CCN1CCN(C(=O)Cn2c(=O)oc3cccnc32)CC1 154597864 WFLUIIRBSXKFME-UHFFFAOYSA-N 300.318 -0.233 30 20 DBED CC(C)NC(=O)C(=O)N1CCN(c2nccnc2C#N)CC1 263730497 CJFQBMMZALQOLF-UHFFFAOYSA-N 302.338 -0.479 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)Nc1ccn(CC(=O)N(C)C)n1 265219140 SVAVJABVHUSOLZ-JTQLQIEISA-N 322.369 -0.217 30 20 DBED N#CCN1CCN(C(=O)CN2C(=O)NC3(CCCC3)C2=O)CC1 266673757 KFPOMHATSJJWFI-UHFFFAOYSA-N 319.365 -0.481 30 20 DBED N#Cc1cccc(NC(=O)C(=O)N2CCN3C(=O)NC[C@H]3C2)c1 267613042 CYEFMDCPGXFEOT-LBPRGKRZSA-N 313.317 -0.267 30 20 DBED C=CCN1CC[C@H](N2CCS(=O)(=O)C[C@H]2C(=O)OC)C1=O 281484970 WWGBECNMIJFTPC-QWRGUYRKSA-N 316.379 -0.955 30 20 DBED C#CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N(C)C 281495803 WIONIUVSQKQRBY-UHFFFAOYSA-N 307.397 -0.944 30 20 DBED COC(=O)CC[C@H](NS(=O)(=O)c1ccc(C#N)o1)C(=O)O 287317681 UVHAHQTWGFQHRZ-QMMMGPOBSA-N 316.291 -0.164 30 20 DBED N#Cc1ccc(N2CC[C@@H](C(=O)N[C@@H](CO)C(N)=O)C2)c(F)c1 287481164 SSOZKDUODQPLMD-PWSUYJOCSA-N 320.324 -0.514 30 20 DBED C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)NCC#CCO)C2=O 294377518 UQKMOPRMNDQTIG-NHYWBVRUSA-N 307.350 -0.401 30 20 DBED C#CCN(C)CCCNC(=O)NCCS(=O)(=O)CC=C 296853766 YYUBHMHXTMCDEO-UHFFFAOYSA-N 301.412 -0.159 30 20 DBED CN1C(=O)C[C@H](C(=O)N2CC(O)(CC#N)C2)[C@H]1c1ccnn1C 329064545 ONHUBRFZLTVPFH-GWCFXTLKSA-N 317.349 -0.574 30 20 DBED CCN1CCOC[C@@H]1/C(O)=N/C[C@H]1CCN(S(C)(=O)=O)C1 329370593 JUXPYCKYEYVBGE-VXGBXAGGSA-N 319.427 -0.055 30 20 DBED CN1C[C@H](/N=C(/O)N2CCN(C(=O)[C@H]3CCCO3)CC2)CC1=O 330152028 WLOLVUDKZMNTDG-VXGBXAGGSA-N 324.381 -0.546 30 20 DBED Cn1c(N)c(C(=O)CN[C@H]2CCC[C@@H]2C#N)c(=O)n(C)c1=O 330804289 BPFSWDNZDJTWEU-BDAKNGLRSA-N 305.338 -0.869 30 20 DBED COC(=O)c1cc(S(=O)(=O)N2CCOC[C@@H]2C#N)cn1C 330862410 SPCKGAPAZBGEJL-VIFPVBQESA-N 313.335 -0.275 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1CCN(C)C(=O)[C@H]1C 337191252 SHQPHSXKWCZLCM-LLVKDONJSA-N 318.399 -0.744 30 20 DBED C=CCNC(=O)NC(=O)CN1CCC[C@H](CS(C)(=O)=O)C1 339153364 PKTYGEFODSSAQG-NSHDSACASA-N 317.411 -0.245 30 20 DBED N#C[C@H]1CN(C(=O)CNC(=O)Cc2ccc(O)cc2)CCO1 357602693 HJZIHSXVRYXYAR-ZDUSSCGKSA-N 303.318 -0.198 30 20 DBED COC(=O)[C@@H]1CCN(C(=O)NCCn2cnc(C#N)n2)C[C@H]1C 357873603 DFIOQIHROPNHPJ-GHMZBOCLSA-N 320.353 -0.010 30 20 DBED CN(C)CCN(C[C@@H]1CCCO1)C(=O)NCC(=O)NCC#N 358275836 NVNNMWQWGAFXNS-LBPRGKRZSA-N 311.386 -0.622 30 20 DBED C[C@@](O)(CO)CNC(=O)C(=O)N1CCc2ccc(C#N)cc21 362209487 CFOXEYIKHALILS-HNNXBMFYSA-N 303.318 -0.693 30 20 DBED N#CCC(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 372485258 BKIZVPNRQDENNT-LLVKDONJSA-N 301.368 -0.447 30 20 DBED C=CC(C)(C)CNC(=O)C(=O)Nc1ncn(CC(=O)OCC)n1 425789129 XXZBSFIEAMXLTE-UHFFFAOYSA-N 323.353 0.108 30 20 DBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCn2ncnc2C1 430397225 AEALAXIPRKRKKA-AAEUAGOBSA-N 319.365 -0.282 30 20 DBED N#Cc1ccc(Cl)c(NC(=O)C(=O)NCCOCC(N)=O)c1 441865297 FEQRBKCAKXIZNJ-UHFFFAOYSA-N 324.724 -0.232 30 20 DBED C#CCNC(=O)CN1CCN([C@@H](C)C(=O)N(C)C(C)C)CC1 491802782 GWAXQELRGYPAOK-AWEZNQCLSA-N 308.426 -0.391 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)Cc2ccncc2C)CC1 491809648 YYKZAPFSXTWRCY-UHFFFAOYSA-N 314.389 -0.174 30 20 DBED C[C@@H](CC(=O)O)N(CCO)S(=O)(=O)N(C)C[C@@H](C)C#N 515487539 JUJSPPWFOQXNQP-UWVGGRQHSA-N 307.372 -0.520 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCC2CCNCC2)C1=O 577501694 CHKHVSHXDHLZJE-UHFFFAOYSA-N 308.338 -0.921 30 20 DBED CC1(C)CN(S(=O)(=O)N2CCO[C@H](C#N)C2)[C@@H]2COC[C@@H]21 580874921 YQLKIFXCFWBJRX-GRYCIOLGSA-N 315.395 -0.188 30 20 DBED CCN1CCC[C@@H]1CNC(=O)C(=O)NC1CCN(CC#N)CC1 588127336 CSRRXOYFVKJSJY-CQSZACIVSA-N 321.425 -0.309 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)Nc2n[nH]c(C)c2C)C1=O 590505037 NOZQXPBLFZFLNG-UHFFFAOYSA-N 305.294 -0.058 30 20 DBED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CC(C#N)C2)c1 590766095 CBLIHJSXPUSYLU-UHFFFAOYSA-N 304.331 -0.181 30 20 DBED CCOC(=O)CNC(=O)[C@@H]1COCCN1C(=O)[C@@H](C#N)CC 597631990 OUURODSKKWJGFB-MNOVXSKESA-N 311.338 -0.557 30 20 DBED CN(C)C(=O)[C@@H]1CC[C@H](C(=O)NC[C@H]2CCCN(CC#N)C2)O1 600817803 TUMYQFIAFLZDHV-MCIONIFRSA-N 322.409 -0.026 30 20 DBED N#Cc1cnn(-c2ccc(C(=O)NC(CO)CO)cc2)c1N 611288131 OOXCDRIADCKBSO-UHFFFAOYSA-N 301.306 -0.591 30 20 DBED C#Cc1cccc(NC(=O)C(=O)N2CCO[C@H](C(=O)O)C2)c1 736091445 TXCJOKKYGCJMFY-LBPRGKRZSA-N 302.286 -0.082 30 20 DBED C#C[C@H](NCC(=O)NCCCN1CCCC1=O)[C@H]1CCCO1 775793547 MFFGEOVTULOZQB-UONOGXRCSA-N 307.394 -0.115 30 20 DBED N#CCCCS(=O)(=O)NC(=O)[C@]12CCC(=O)N1CCS2 776123550 OSPDPEXWAZEDEZ-LLVKDONJSA-N 317.392 -0.198 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1 776557826 MNPCTTLVBDVODA-STQMWFEESA-N 313.423 -0.424 30 20 DBED CC(C)NS(=O)(=O)NCCN/C(O)=C1\N=CC=CC1=O 778623730 PJWNTWDWNKTCGM-ZHACJKMWSA-N 302.356 -0.655 30 20 DBED C#CCC[C@@H](O)CNC(=O)CNS(=O)(=O)c1cccs1 799078401 AIPVPZRLFIHYLU-SNVBAGLBSA-N 316.404 -0.083 30 20 DBED C#CCCS(=O)(=O)NC(=O)CCCN1C(=O)CCC1=O 810786008 XAEWGTLFSJHYJY-UHFFFAOYSA-N 300.336 -0.615 30 20 DBED C[C@]12CCC(=O)N1[C@H](C(=O)N[C@@H]1CCCN(O)C1=O)CS2 820482425 JPWXNNAVOONUBQ-ZDMBXUJBSA-N 313.379 -0.063 30 20 DBED CN1CCC(C#N)(NC(=O)c2cc(-c3nn[nH]n3)cn2C)CC1 821622009 OWVSYWYIVGTNBB-UHFFFAOYSA-N 314.353 -0.077 30 20 DBED N#Cc1ccc(O)c(NC(=O)Cn2cnc(-c3nn[nH]n3)n2)c1 822833243 MQAIMJFZWFYAFG-UHFFFAOYSA-N 311.265 -0.326 30 20 DBED C#CCNC(=O)COC(=O)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 823850036 ILOMYEXPURELBH-LBPRGKRZSA-N 315.289 -0.807 30 20 DBED CNS(=O)(=O)c1cc(C(=O)N[C@H]2CNC[C@H]2C#N)c(C)o1 834480197 MLPKXYYQFKBFGO-SCZZXKLOSA-N 312.351 -0.663 30 20 DBED C=C(C)C[C@H](NC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O)C(=O)O 864186956 ARJUIQDJFIKCTB-GZTOBOFZSA-N 321.333 -0.367 30 20 DBED C#CCNC(=O)CN1CCC(C(N)=O)(N2CCCCC2)CC1 880251677 QJOHRULGVYGBQA-UHFFFAOYSA-N 306.410 -0.458 30 20 DBED C#CC1(O)CN(C(=O)c2ccc3c(c2)[nH]c(=O)c(=O)n3CC)C1 890519250 IKPZBTBQOIJSJG-UHFFFAOYSA-N 313.313 -0.470 30 20 DBED O=C(NCC#CCO)NCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 923777395 PTSVJQSASGFKMY-CYDGBPFRSA-N 317.345 -0.912 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)c3cn(C)nn3)C2)nc1 940264520 GTHNAXWSYXOGSM-GFCCVEGCSA-N 324.344 -0.164 30 20 DBED COc1cc(C(=O)NC[C@H]2CN(C(=O)[C@@H](C)C#N)CCO2)on1 944557474 WTYGFHMASMBJHV-UWVGGRQHSA-N 322.321 -0.200 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)[C@H](C)C1 945182220 PFQRCEGNHFTCNV-VXGBXAGGSA-N 318.381 -0.773 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)C(N)=O)C[C@@H]2C)nc1 945485227 RIPOQQPFWGIUSN-JQWIXIFHSA-N 314.345 -0.485 30 20 DBED C#Cc1cncc(C(=O)NC2CCN(C(=O)CC(N)=O)CC2)c1 945584975 GIBGRKNGTFSSEJ-UHFFFAOYSA-N 314.345 -0.341 30 20 DBED O=C1CC[C@H](C(=O)NC[C@@H]2CCN2C(=O)C#CC2CC2)CN1 950964022 IVQYFEGUMNULEW-STQMWFEESA-N 303.362 -0.357 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@@H]2COCCO2)C1 953776989 DIVPWLQIMIXOBR-RDBSUJKOSA-N 324.377 -0.338 30 20 DBED C[C@H](C#N)C(=O)N1CCC(N(C)C(=O)Cn2cnnc2O)CC1 953883461 NFYVVBJUTJGAMB-SNVBAGLBSA-N 320.353 -0.407 30 20 DBED CN(C)Cc1ccoc1C(=O)NC[C@@H]1CN(CC#N)C[C@@H]1O 958345694 QJXAWTDJGZLYDH-OLZOCXBDSA-N 306.366 -0.113 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H]2[C@@H]3CN([C@@H]4CCCNC4=O)C[C@@H]32)c1 958501178 XELYJNWJAGJRRF-WVWOOGAGSA-N 313.361 -0.175 30 20 DBED C=C(Cl)CN1C[C@@H]2C(NC(=O)C[C@@H]3NC(=O)NC3=O)[C@H]2C1 960339318 VHDZBVXONNAGGP-CIUDSAMLSA-N 312.757 -0.617 30 20 DBED C=CCn1cc(C(=O)N2C[C@H](O)[C@H](NC(=O)CC3CC3)C2)nn1 961148965 HDRAQVYUEJHOFH-YPMHNXCESA-N 319.365 -0.434 30 20 DBED C#Cc1cncc(C(=O)NC2[C@@H]3CN([C@H]4CCNC4=O)C[C@@H]23)c1 961709958 DERXADXTMAGIBN-MCIONIFRSA-N 310.357 -0.389 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@H](NC(=O)[C@H](C)n2cncn2)C1 962359842 PHVSMKZZVZJZPK-TUAOUCFPSA-N 321.381 -0.261 30 20 DBED O=C(Cn1cncn1)N1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC1CC1 968995975 QEAYUCIUGUPGHG-OKILXGFUSA-N 313.361 -0.107 30 20 DBED C#CCCN1CCO[C@@]2(CCN(C(=O)c3cnnn3C)C2)C1 972364305 GDPMWRKKFRFOAI-HNNXBMFYSA-N 303.366 -0.245 30 20 DBED C=C1CC(C)(C(=O)N[C@H]2C[C@H](NC(=O)c3nnn(C)n3)C2)C1 973510315 RHBSKRJCVFCHKA-MGCOHNPYSA-N 304.354 -0.057 30 20 DBED NC(=O)C(=O)N1CCC[C@@H]2CN(C(=O)C#CC3CC3)CC[C@H]21 973749777 AZTHKOLPWZZYDD-CHWSQXEVSA-N 303.362 -0.275 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)[C@@H]3CCCNC3=O)[C@H]2C1 976674295 LGRMLGPQFWDPTH-JCIQBVFBSA-N 304.350 -0.755 30 20 DBED CO[C@H]1C[C@H](C(=O)NCC2[C@@H]3CN(CC#N)C[C@@H]23)N(C(C)=O)C1 978528219 UHWOFVGZWBXSCI-CYUUQNCZSA-N 320.393 -0.560 30 20 DBED Cc1[nH]nc(C(=O)N2CC(NC(=O)c3c[nH]c(C#N)c3)C2)c1O 990927207 DOPUENYAVDXNHG-UHFFFAOYSA-N 314.305 -0.122 30 20 DBED C=C(C)CN1CCC[C@@H](NC(=O)CN2CCNC(=O)C2)[C@H]1C 993700056 LAHWRFHHNOZVOQ-ZIAGYGMSSA-N 308.426 -0.037 30 20 DBED COCCn1nccc1C(=O)NC1CN(C(=O)[C@H](C)C#N)C1 994420865 RRCMNNJUKNTJPN-SNVBAGLBSA-N 305.338 -0.370 30 20 DBED C=CCN1CCC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)[C@@H]1C 994471771 BIMKICFYNCSXPL-WDEREUQCSA-N 306.370 -0.468 30 20 DBED C=CCN1CC[C@@H](n2cc(CNC(=O)[C@H]3CCNC3=O)nn2)C1 999999073 BZGMOXNUKMTYGY-OLZOCXBDSA-N 318.381 -0.537 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)C2CN(C(C)=O)C2)C1 1000005868 SGPYMHLNPXNFKF-KGLIPLIRSA-N 321.377 -0.617 30 20 DBED N#Cc1c[nH]c(C(=O)NCC2CN(C(=O)[C@@H]3CCC(=O)N3)C2)c1 1001343080 SHZANLHCJHDBDU-NSHDSACASA-N 315.333 -0.647 30 20 DBED N#Cc1cc(C(=O)NCC2CN(C(=O)C3(C(N)=O)CC3)C2)c[nH]1 1001509245 PDDNNGYRGIQCIZ-UHFFFAOYSA-N 315.333 -0.660 30 20 DBED CC(=O)N1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@H](C)C#N)C1 1003477773 QWRKJYBIVWVTIH-MFKMUULPSA-N 306.366 -0.268 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCCN([C@H](C)C(N)=O)C2)nn1 1008792676 GPXBFULSGUQHJU-MNOVXSKESA-N 306.370 -0.468 30 20 DBED C#CCCN1CCC[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)C1 1009199652 CJSFGKRZQFYTAJ-LLVKDONJSA-N 314.349 -0.365 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C(=O)[C@@]2(C)CCNC(=O)C2)CC1 1011322945 DZEMVHPUUFBWTI-ABAIWWIYSA-N 306.366 -0.267 30 20 DBED N#Cc1ccccc1CN[C@H]1C[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1 1022630065 LNBIPEKFMDEKSK-HZSPNIEDSA-N 313.361 -0.024 30 20 DBED C=C(C)CN[C@H]1C[C@@H](NC(=O)c2c[nH]nc2S(N)(=O)=O)C1 1022687597 KAOXVNDONDBPJT-DTORHVGOSA-N 313.383 -0.516 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H](NCc2nnn(C)n2)C1 1022737080 NTQYBESQYBBGQB-KXNHARMFSA-N 306.370 -0.462 30 20 DBED Cc1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2O)nn1C 1023148077 RSIQAPDJPZLRIT-XXILOJSOSA-N 305.338 -0.810 30 20 DBED C=CCn1cccc1C(=O)N[C@@H]1CN(C(=O)COC)C[C@H]1O 1024229037 JVHJOJBCQLJSMK-DGCLKSJQSA-N 307.350 -0.378 30 20 DBED Cn1nnnc1CN[C@@H]1CC[C@H]2CN(C(=O)C#CC3CC3)C[C@H]21 1026265207 GPALMEKOEDWXLD-BFHYXJOUSA-N 314.393 -0.050 30 20 DBED C=C(Cl)CN1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1NC(=O)NC1=O 1032451972 AJAMPAMJWHKZBX-GUBZILKMSA-N 312.757 -0.378 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)c2cnn(CCOC)c2C)C1 1035370316 MYYCKTMACYOYFZ-AWEZNQCLSA-N 320.393 -0.098 30 20 DBED CC#CCN1CCO[C@H](CNC(=O)c2cccn3nnnc23)C1 1035388741 ZSMXBBKEORGVCV-GFCCVEGCSA-N 314.349 -0.422 30 20 DBED C#Cc1cncc(C(=O)N2CC[C@H](NCC(N)=O)[C@@H](C)C2)c1 1036181273 PYXUGKJCLXKIEQ-FZMZJTMJSA-N 300.362 -0.012 30 20 DBED CC[C@@H]1CN(C(=O)CCn2ncn(C)c2=O)CC[C@H]1NCC#N 1037887750 RIYJOOQYARNWLP-CHWSQXEVSA-N 320.397 -0.288 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2CCN2[C@@H]2CCN(C)C2=O)nn1 1038784087 RJELAYBWLSGPIN-WCQYABFASA-N 318.381 -0.501 30 20 DBED C#CCOc1ncccc1C(=O)NC[C@H]1CCN1[C@@H](C)C(N)=O 1038928186 LENJGAQIGMSGTJ-NWDGAFQWSA-N 316.361 -0.229 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)CCc2ncc[nH]2)C1 1039590876 NSEOIMTYNGLNFG-NHYWBVRUSA-N 319.365 -0.418 30 20 DBED O=C(C#CC1CC1)NC[C@@]1(O)CCN(C(=O)C2=COCCO2)C1 1039684887 FQCVNJLKWSIDQX-INIZCTEOSA-N 320.345 -0.632 30 20 DBED C#CCOCCC(=O)NC[C@@]1(O)CCN(C(=O)c2ccon2)C1 1039719006 LLVAZTFCKMWYRM-HNNXBMFYSA-N 321.333 -0.592 30 20 DBED C#CCN1[C@H]2CCC[C@H]1CN(C(=O)[C@@H]1CCS(=O)(=O)N1)C2 1040009024 XHXIXNTUXZIADT-AVGNSLFASA-N 311.407 -0.623 30 20 DBED N#Cc1cnc(N2C[C@@H](O)[C@H](NC(=O)c3cncnc3)C2)cn1 1040995836 OODMHJDIWMNIMD-VXGBXAGGSA-N 311.305 -0.882 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)CNC(=O)OC)C1 1041702810 FVNSZEKMRXOGOV-UHFFFAOYSA-N 313.354 -0.756 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)[C@H]2CCCN2C(C)=O)C1 1041972674 HFUKUTJRRAYNMY-CYBMUJFWSA-N 323.393 -0.347 30 20 DBED C=C1CC(C)(C(=O)N2CC(O)(CNC(=O)[C@H]3CCC(=O)N3)C2)C1 1042071592 UJXWMKVCOXPHOK-LLVKDONJSA-N 321.377 -0.689 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)C2[C@@H]3CCC[C@@H]23)C1 1042398447 ZANCMVFXKOGYDJ-CHWSQXEVSA-N 320.389 -0.238 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)[C@H](C)n2cncn2)C1 1042643998 GCVHNLMQLRREQC-LBPRGKRZSA-N 319.365 -0.668 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CN([C@@H]2CCNC2=O)C1 1042742486 RIAFVIYYJLWBCX-MCIONIFRSA-N 307.394 -0.001 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)COCC2CC2)C1 1043036929 UQZJRFBARKUGGD-GFCCVEGCSA-N 324.377 -0.859 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)c2n[nH]cc2C)C1 1043039242 DPKNTJYURRVTNW-LLVKDONJSA-N 320.349 -0.940 30 20 DBED C=CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)[C@@]23COC[C@@H]2C3)C1 1043576169 OFZIGVFJGLFTQM-MKBNYLNASA-N 324.377 -0.697 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3[nH]c(O)nc3c2)C1 1047433985 OZQFTYBBBCIPAL-RYUDHWBXSA-N 315.333 -0.586 30 20 DBED COc1cc(C(=O)N(C)[C@H]2CN(CC#N)C[C@@H]2O)cc(OC)n1 1047443901 PDWHBOXUNKTXOD-RYUDHWBXSA-N 320.349 -0.261 30 20 DBED C=CCO[C@@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cc[nH]n2)C1 1048335303 CGABXROFOHZSMA-DRZSPHRISA-N 322.365 -0.356 30 20 DBED CC#CCN1CCOC[C@H]1CNC(=O)c1cc(OC)ncn1 1050922102 YOENZPQDAYJGCM-GFCCVEGCSA-N 304.350 -0.061 30 20 DBED N#Cc1cnc(N2CC[C@@H](NC(=O)c3cocn3)[C@H](O)C2)cn1 1051639642 RQZXZVZWVYEIJZ-ZYHUDNBSSA-N 314.305 -0.294 30 20 DBED CC(C)C#CC(=O)N1C[C@H](CNC(=O)Cn2cnnn2)[C@@H](C)C1 1052529046 HUTRQKQXAKMEHZ-STQMWFEESA-N 318.381 -0.457 30 20 DBED COc1cc(C(=O)N2CCOC3(CN(CC#N)C3)C2)ncn1 1053259413 WIEJCFYAHUDPJU-UHFFFAOYSA-N 303.322 -0.464 30 20 DBED C#CCN[C@H]1CN(C(=O)CN2C(=O)CC(C)(C)C2=O)C[C@@H]1C 1054654436 FCTFAJCSTWFAMR-RYUDHWBXSA-N 305.378 -0.159 30 20 DBED N#Cc1cccnc1N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cn1cnnn1 1054891469 XHGJCZZGYZCPFH-AGIUHOORSA-N 324.348 -0.134 30 20 DBED CN1CCO[C@@H](C(=O)N2CCN(c3ccncc3C#N)CC2)C1 1055751138 RCWCKRVMZPARQE-OAHLLOKOSA-N 315.377 -0.068 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@](CO)(NC(=O)CN2CCCC2)C1 1055953957 LXSMPECXQBOGRM-BBRMVZONSA-N 322.409 -0.288 30 20 DBED N#Cc1ccc(N2CCN(C(=O)C3(C(N)=O)CC3)CC2)nn1 1055998847 QDBWTANUNCHZSY-UHFFFAOYSA-N 300.322 -0.738 30 20 DBED N#Cc1nccc(N2C[C@H]3[C@H](NC(=O)[C@H]4CCC(=O)N4)[C@H]3C2)n1 1056146069 CTRHWQGZKBXRDJ-PUXPGTEJSA-N 312.333 -0.822 30 20 DBED Cn1nncc1C(=O)N[C@H]1[C@@H]2CN(c3ncccc3C#N)C[C@@H]21 1056194916 PXGRZWXLQDUEBR-PJXYFTJBSA-N 309.333 -0.054 30 20 DBED N#Cc1nccnc1N1C[C@@H]2C(NC(=O)Cn3cncn3)[C@H]2C1 1056219184 YLDQRPKDNCUYBZ-UWVGGRQHSA-N 310.321 -0.809 30 20 DBED COCCC(=O)N(CCO)CCNC(=O)c1cc(C#N)c[nH]1 1056730699 DLYTUZWOBHKLRF-UHFFFAOYSA-N 308.338 -0.526 30 20 DBED CN1C[C@H](C(=O)N2CC[C@@H](Nc3cncc(C#N)n3)C2)CC1=O 1056805363 RNOYOWYYMATSFV-GHMZBOCLSA-N 314.349 -0.161 30 20 DBED C#CCOCCC(=O)NCCN(CCO)C(=O)c1cc(C)[nH]n1 1057104072 IVBGKBWBVQMGDU-UHFFFAOYSA-N 322.365 -0.691 30 20 DBED CO[C@@H](C)C(=O)N(CCO)CCNC(=O)c1ccc(C#N)[nH]1 1057113305 ZABUJACYBMEKNB-JTQLQIEISA-N 308.338 -0.528 30 20 DBED C=CCCOCC(=O)NCCN(CCO)C(=O)COCC=C 1057196659 RGAZKHIGEKAGJR-UHFFFAOYSA-N 314.382 -0.281 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)Cc1ccn(C)n1 1057548982 QHUYWPYAAHETKZ-UHFFFAOYSA-N 320.393 -0.441 30 20 DBED C#CCO[C@H](C)C(=O)N(CCO)CCNC(=O)c1coc(C)n1 1057583697 XUEJHSMLMCUTTE-LLVKDONJSA-N 323.349 -0.428 30 20 DBED C#CCO[C@H](C)C(=O)N(CCO)CCNC(=O)c1cnco1 1057584157 GESXHSUWJAIJLF-LLVKDONJSA-N 309.322 -0.736 30 20 DBED N#Cc1ccc(N[C@H]2CCCN(C(=O)Cn3cnnn3)C2)nn1 1057585142 DJAQHCMETBPGPR-NSHDSACASA-N 313.325 -0.562 30 20 DBED C=C(C)CCC(=O)N(CCO)CCNC(=O)[C@@H](C)NC(C)=O 1057807939 WUSBRLQOMCLIOH-GFCCVEGCSA-N 313.398 -0.196 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)CCc1cnn(C)c1 1057859280 XHSDDAOYWCOYFK-GFCCVEGCSA-N 321.381 -0.551 30 20 DBED C=CCCCC(=O)NCCN(CCO)C(=O)C(C)(C)C(N)=O 1057879924 IQRGIQCLUMOGPJ-UHFFFAOYSA-N 313.398 -0.209 30 20 DBED Cc1nsc(N2CC[C@@H](NC(=O)[C@H]3CNC(=O)N3)C2)c1C#N 1058531461 QAMYUGPKVIRULA-PSASIEDQSA-N 320.378 -0.301 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H]1CCN(C(=O)COC)C1 1059020656 IRQJBPCJZGXNGS-LBPRGKRZSA-N 309.366 -0.873 30 20 DBED C[C@@H](C(=O)N1CC[C@H](Nc2cncc(C#N)n2)C1)S(C)(=O)=O 1059109551 PJHGQDQVSRLXEG-UWVGGRQHSA-N 323.378 -0.206 30 20 DBED C=CCCC(=O)N1CC[C@H](CCNC(=O)Cn2cnnn2)C1 1059313435 YZIXBPTUFGURSI-LBPRGKRZSA-N 306.370 -0.006 30 20 DBED Cn1nnc(C(=O)NC[C@H]2CCCN2c2ncccc2C#N)n1 1061427719 JZCHJNKUQMSINS-LLVKDONJSA-N 312.337 -0.124 30 20 DBED N#Cc1cccnc1N1CCC[C@@H]1CNC(=O)[C@@H]1CNC(=O)N1 1061440091 BCAKSANRGDVDPZ-NEPJUHHUSA-N 314.349 -0.280 30 20 DBED N#Cc1cncc(N2CCC[C@H]2CNC(=O)[C@H]2C[C@H]2C(N)=O)n1 1061445448 RUVPIXDFJHXFHZ-TUAOUCFPSA-N 314.349 -0.445 30 20 DBED CC(=O)NCC(=O)N1CCOC[C@H]1CNC(=O)C#CC(C)C 1061557799 CVQCEAPWJRAECH-CYBMUJFWSA-N 309.366 -0.875 30 20 DBED CN1CC[C@H](C(=O)N2CCOC[C@@H]2CNC(=O)C#CC2CC2)C1 1061572440 VSRQCRKYALOVNZ-GJZGRUSLSA-N 319.405 -0.305 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)Cn1ccnc1 1061850802 CFPBBSDKXBETCU-NWDGAFQWSA-N 305.338 -0.614 30 20 DBED N#Cc1nccnc1N1C[C@@H]2C[C@H]1CN2C(=O)CCc1nc[nH]n1 1062471856 KCZFJXVLCRMJAG-QWRGUYRKSA-N 324.348 -0.111 30 20 DBED N#Cc1ccc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)Cn2cncn2)nn1 1064256948 LVBGHTWEILQIOP-OLUVUFQESA-N 310.321 -0.667 30 20 DBED CC[C@H]1CN(C(=O)C(N)=O)CC[C@@H]1Nc1nccnc1C#N 1064413586 XPJFPJHIRWBHGY-UWVGGRQHSA-N 302.338 -0.127 30 20 DBED C=CCO[C@H](C)C(=O)NC[C@H]1CN(C(=O)COCC)CCO1 1064801371 QAPMLSSMLXRATK-OLZOCXBDSA-N 314.382 -0.042 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(C(=O)c2cc[nH]n2)CCO1 1064889793 BTRRXZPLILAGIH-GFCCVEGCSA-N 320.349 -0.593 30 20 DBED C[C@H]1CN(C(=O)Cn2cncn2)C[C@@H]1Nc1ccc(C#N)nn1 1067098622 NAUJVZAGXWEUJW-JQWIXIFHSA-N 312.337 -0.101 30 20 DBED N#Cc1nccc(N2C[C@H](CNC(=O)c3ccon3)[C@@H](O)C2)n1 1067654120 SSQTVQTWGWDIAG-ONGXEEELSA-N 314.305 -0.437 30 20 DBED C=CCC(C)(C)C(=O)N1CC2(C[C@@H](NC(=O)CC(N)=O)CO2)C1 1068785141 ZKTMDWJENDJQDV-LLVKDONJSA-N 323.393 -0.050 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2cc(CC)[nH]n2)C1 1069898212 CRDPDGZVCZCSQE-KGLIPLIRSA-N 313.365 -0.148 30 20 DBED CC(C)C#CC(=O)NCC1(NC(=O)c2cnn[nH]2)CCOCC1 1070163950 ZOWPGONGFAYCJN-UHFFFAOYSA-N 319.365 -0.141 30 20 DBED C#CCN1C[C@@H](F)C[C@@H]1c1n[nH]c(CNC(=O)c2cnon2)n1 1070734746 HNANARILKOWSOZ-WCBMZHEXSA-N 319.300 -0.164 30 20 DBED C#CCCN1CCN([C@@H]2CCCN(C(=O)COC)C2)C(=O)C1 1071252325 YDESBQLURPQYFT-CQSZACIVSA-N 307.394 -0.209 30 20 DBED C=CCOCC(=O)N1C[C@@H](C)[C@@H](NC(=O)Cc2nc[nH]n2)C1 1071810864 DXAKYUCTKCIELR-MNOVXSKESA-N 307.354 -0.487 30 20 DBED CNC(=O)NCC(=O)N1C[C@H](C)[C@@H](NC(=O)C#CC(C)C)C1 1072267551 COBBFEDMAJWBFY-RYUDHWBXSA-N 308.382 -0.462 30 20 DBED C[C@H]1CN(C(=O)Cn2cncn2)C[C@@H]1NC(=O)C#CC1CC1 1072773141 OWPPBLWJXDYDEV-AAEUAGOBSA-N 301.350 -0.345 30 20 DBED C#CCOCCC(=O)N[C@H]1CN(C(=O)Cc2cnc[nH]2)C[C@H]1C 1072801305 PQIULZVQAYROBE-OCCSQVGLSA-N 318.377 -0.045 30 20 DBED C=CCCO[C@H](C)C(=O)NCC[C@H](C)NC(=O)Cn1ncnn1 1075849421 NLFQCJSNPHBQND-NWDGAFQWSA-N 324.385 -0.335 30 20 DBED C#CCOCCC(=O)NCC[C@H](C)NC(=O)[C@@]1(C)CCNC1=O 1076506001 JJXSNWJTQGBNFR-LRDDRELGSA-N 323.393 -0.437 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2cccc3oc(O)nc23)C1 1077391702 SWGOOSVXHHNEQI-NXEZZACHSA-N 302.290 -0.168 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3nncn3CC2)C1 1077411877 DRSUOKUDINGVDT-BFHYXJOUSA-N 317.393 -0.585 30 20 DBED C[C@@H](CCNC(=O)[C@@]1(C)CNC(=O)C1)NC(=O)C#CC1CC1 1077451552 AFZBOAJDMNDEBQ-MEDUHNTESA-N 305.378 -0.063 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CN(Cc3ccon3)C[C@H]2O)nn1 1077801076 BFRHJXUSPVWFJN-DGCLKSJQSA-N 318.337 -0.573 30 20 DBED CCN(C(=O)CCNC(N)=O)C1CN(C(=O)C#CC(C)C)C1 1079750714 OHBXGEJZYJNSEU-UHFFFAOYSA-N 308.382 -0.237 30 20 DBED CNC(=O)CC(=O)NC1(CO)CCN(C(=O)C#CC(C)C)CC1 1080828967 FUUKYVQPHPRFMK-UHFFFAOYSA-N 323.393 -0.748 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)c2cnccn2)C[C@H]1O 1081441917 NTBULTYQWIUIQJ-TZMCWYRMSA-N 316.361 -0.171 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cn(C)nn2)C1 1081456382 YRQMMFMQIYYBTC-PWSUYJOCSA-N 307.354 -0.670 30 20 DBED Cc1nocc1C(=O)N1C[C@@H](O)[C@H](CNC(=O)C#CC2CC2)C1 1081472194 WKWROIDFXHSVAY-TZMCWYRMSA-N 317.345 -0.054 30 20 DBED C=C(C)CCC(=O)NC[C@H]1CN(C(=O)c2cnon2)C[C@@H]1O 1081530780 KFCWLROYPVXHMQ-JQWIXIFHSA-N 308.338 -0.025 30 20 DBED C#CCCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2cnn(C)n2)C1 1081600797 KBFQMZWQIRTRKW-DGCLKSJQSA-N 319.365 -0.832 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CCCC(=O)N1 1083114425 FPHYOPHHTSJMNW-HZSPNIEDSA-N 305.378 -0.410 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1c[nH]c(=O)cn1 1083177796 NSUGWEIPMRYBGA-QWHCGFSZSA-N 302.334 -0.682 30 20 DBED Cc1c(C(=O)N[C@@H]2CN(CC#N)C[C@@H]2O)nn2c1OCCC2 1083508032 MUNGEVOITCVFLE-MNOVXSKESA-N 305.338 -0.728 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2cccc(-n3ccnc3)n2)C1 1083590749 TVFMDVIXRMQLHW-KGLIPLIRSA-N 311.345 -0.325 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)c2ccc3nnc(O)n3c2)C1 1083857181 JUBTVEOVAHWPRN-NEPJUHHUSA-N 315.333 -0.767 30 20 DBED CC#CCN1CC[C@@H]1CN(C)C(=O)c1cnc(O)n(C)c1=O 1085759690 NMTXNTWWAASUJZ-LLVKDONJSA-N 304.350 -0.345 30 20 DBED C#Cc1ccc(C(=O)N2C[C@H]3CCN(CC(N)=O)C[C@H]3C2)nc1 1088174014 DBWYFRNMQQTGNS-KGLIPLIRSA-N 312.373 -0.058 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CC[C@H](C)N(c2ccnc(C#N)n2)C1 1089115688 JYQJFNKFJDQBLN-CMPLNLGQSA-N 316.365 -0.042 30 20 DBED CCN(c1cnc(C#N)cn1)[C@H](C)CNC(=O)CCNC(N)=O 1089650598 MNCYRACLXDLTLT-SNVBAGLBSA-N 319.369 -0.262 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(c2cccc(F)n2)C[C@H]1O 1090489136 WQNCJBDRHDMYIA-IJLUTSLNSA-N 307.325 -0.075 30 20 DBED CNC(=O)c1ccc(C(=O)N[C@H]2CCN(CC#N)C[C@H]2O)cn1 1090734888 RPKHYYINRQHKEP-WCQYABFASA-N 317.349 -0.870 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2c[nH]c(C(N)=O)c2)[C@H](O)C1 1090813789 WCOQUGISSOSLFK-DGCLKSJQSA-N 304.350 -0.698 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2cncc(C(N)=O)c2)[C@@H](O)C1 1090820644 UJHYWHDTGXNPBB-KBPBESRZSA-N 316.361 -0.631 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2noc3c2COCC3)[C@H](O)C1 1090825201 XAUIPOBTWZRCQH-QWHCGFSZSA-N 319.361 -0.064 30 20 DBED C=CCCN1CC[C@@H](NC(=O)c2ccc(C(N)=O)nc2)[C@H](O)C1 1090851653 HAAJDIAITQPREX-TZMCWYRMSA-N 318.377 -0.078 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(c2ncc(Cl)cn2)C[C@@H]1O 1091081848 NVSTXNCTDFAAAU-MNOVXSKESA-N 312.757 -0.002 30 20 DBED CO[C@@H](C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@@H]1O)C1CC1 1091099123 CDCATCGXQMFCHI-FRRDWIJNSA-N 317.349 -0.561 30 20 DBED N#Cc1nccnc1N[C@H]1C[C@@H](CNC(=O)Cn2cnnn2)C1 1091310570 FXWLFTDGOIEYKD-AOOOYVTPSA-N 313.325 -0.658 30 20 DBED C=CCN1C[C@@H]2CN(C(=O)CN3CCN(C)C(=O)C3)C[C@]2(C)C1 1091799494 DRWWNDOJTALLRR-PBHICJAKSA-N 320.437 -0.273 30 20 DBED C=CCN1CC2(C[C@@H](NC(=O)[C@@H]3COC(=O)N3)c3nccn32)C1 1092366906 XXUMMGAIIPJTST-MNOVXSKESA-N 317.349 -0.251 30 20 DBED C=CCn1cc(C(=O)N2CC(n3cc(CNCC)nn3)C2)nn1 1093338258 OFNCKORMPPXNJO-UHFFFAOYSA-N 316.369 -0.138 30 20 DBED N#Cc1cncc(NCCCNC(=O)Cn2cnnc2O)n1 1094373762 NVLCAYFETAHDRC-UHFFFAOYSA-N 302.298 -0.736 30 20 DBED CNS(=O)(=O)CC(=O)NCCCNc1ccc(C#N)nc1 1094440597 UYGHXSVJVFKBKC-UHFFFAOYSA-N 311.367 -0.579 30 20 DBED Cn1cnn(CC(=O)NCCCNc2ccc(C#N)cn2)c1=O 1094652299 YXHZPRVLIJZIRD-UHFFFAOYSA-N 315.337 -0.533 30 20 DBED C#CCN1CCN(C(=O)[C@H](F)CC)[C@@H]2CS(=O)(=O)C[C@@H]21 1094653095 BHOHTAOQCBNLAF-GRYCIOLGSA-N 302.371 -0.323 30 20 DBED C#CCCN1CC(N2C[C@@H](NC(=O)Cn3cccn3)CC2=O)C1 1094706256 XXIVRRCDUJRNHT-ZDUSSCGKSA-N 315.377 -0.692 30 20 DBED CC(=O)NCC(=O)N1CC[C@H](Nc2nc(C)cc(C#N)n2)C1 1096913214 PQTYYUNFWQBIEU-NSHDSACASA-N 302.338 -0.194 30 20 DBED CNC(=O)CC(=O)N1CC[C@H](CNc2cnc(C#N)cn2)C1 1098521386 CAVRTETUYIWZDB-SNVBAGLBSA-N 302.338 -0.255 30 20 DBED N#Cc1cnc(NC[C@@H]2CCN(C(=O)CCNC(N)=O)C2)cn1 1098530121 VUCWQNUSZYZRLZ-JTQLQIEISA-N 317.353 -0.333 30 20 DBED COC[C@H](OC)C(=O)N1CC[C@@H](CN=c2cc[nH]c(C#N)n2)C1 1098575690 AEQXYSRFOOAFHG-RYUDHWBXSA-N 319.365 -0.308 30 20 DBED C[C@@H](CCNC(=O)[C@H]1OCCO[C@H]1C)N=c1cc[nH]c(C#N)n1 1099767482 CECMECHBWOXGDF-MJVIPROJSA-N 319.365 -0.119 30 20 DBED C#CCOCCC(=O)N[C@H]1CCN(Cc2nncs2)C[C@@H]1O 1099835260 FNTAADHRMCXBOX-RYUDHWBXSA-N 324.406 -0.371 30 20 DBED C=C(C)CCC(=O)N[C@@H]1CCN(Cc2nnn(C)n2)C[C@H]1O 1099855963 PXIYBHRJCRBHNK-VXGBXAGGSA-N 308.386 -0.382 30 20 DBED CN(CCNC(=O)CCn1ccnn1)c1ccc(C#N)nn1 1100075330 FMOKUKTZLAVZEY-UHFFFAOYSA-N 300.326 -0.418 30 20 DBED C#CCCN1CC[C@H](NC(=O)CCCCC(=O)NC)[C@H](O)C1 1100139631 UTSTTXYRMUTZOM-UONOGXRCSA-N 309.410 -0.133 30 20 DBED CCOCCOCC(=O)NCCN(C)c1ccc(C#N)nn1 1100161950 QVSIEQKUVLJLFZ-UHFFFAOYSA-N 307.354 -0.046 30 20 DBED CCN(CCNC(=O)[C@H](C)NC(N)=O)c1cncc(C#N)n1 1100501091 UGHNCLPJYMIKJQ-VIFPVBQESA-N 305.342 -0.652 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H]1CCCN1c1nccnc1F 1100832047 PWADKCVYZVYBOW-NSHDSACASA-N 319.340 -0.160 30 20 DBED C[C@H](NS(C)(=O)=O)C(=O)NC[C@@H]1CN(CC#N)C[C@H]1C 1102401606 HXRDHLAPPKXJCI-OUAUKWLOSA-N 302.400 -0.868 30 20 DBED COCC#CCNCC[C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1C 1103867910 NTXFFVRQRJVRGL-ZIAGYGMSSA-N 320.397 -0.603 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)C(C)(C)C(N)=O 1104705154 NCZOHNVLAUHPOW-SECBINFHSA-N 304.354 -0.460 30 20 DBED C[C@@H](CN=c1cc[nH]cc1C#N)N(C)C(=O)[C@H]1C[C@H]1C(N)=O 1104826930 KTHHADYHMQGADR-WCQGTBRESA-N 301.350 -0.245 30 20 DBED C=CCNCc1cn(C2CN(C(=O)Cc3cc[nH]n3)C2)nn1 1105200092 XQKYWYITULELME-UHFFFAOYSA-N 301.354 -0.097 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNc1cc(-n2ccnc2)ncn1 1105773518 IYYPMIITUNADKO-WDEREUQCSA-N 315.337 -0.289 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@H](O)CNc1ccc(C#N)nn1 1105806563 ZUVLAVLMYMCGET-FZMZJTMJSA-N 305.338 -0.436 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)Cn2cncn2)nc1 1105839320 SFAVIINMJNAYFT-NSHDSACASA-N 301.310 -0.866 30 20 DBED C=CCO[C@@H](C)C(=O)NC[C@@H](O)CNc1ccc(C#N)nn1 1105892028 OPOZJPSVHZYTGR-JQWIXIFHSA-N 305.338 -0.172 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)[C@H]2CCC(=O)NC2)C[C@H]1C 1106356911 OICAQKHFWANDSY-QLFBSQMISA-N 321.421 -0.154 30 20 DBED CCN(CCNc1ccc(C#N)nn1)C(=O)Cn1cnnc1O 1106731802 HGFLJOQCUUROMQ-UHFFFAOYSA-N 316.325 -0.394 30 20 DBED CCNC(=O)CC(=O)NC/C=C/CN=c1cc[nH]c(C#N)n1 1107131302 MEEMHOCRISHQEW-ONEGZZNKSA-N 302.338 -0.619 30 20 DBED CCn1nncc1C(=O)NC/C=C/CN=c1cc[nH]c(C#N)n1 1107150985 CBNCBIORQOWNPZ-ONEGZZNKSA-N 312.337 -0.220 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)c2cccn(C)c2=O)C1 1108350525 XPRGINISFHUNAY-MRXNPFEDSA-N 303.362 -0.161 30 20 DBED Cc1nnc(CC(=O)N[C@@H](C)CN=c2cc[nH]c(C#N)n2)o1 1108361683 ZYAXXCRBSDGOEK-QMMMGPOBSA-N 301.310 -0.379 30 20 DBED CC#CCN1CC(N2C[C@H](NC(=O)[C@@H](CC)N(C)C)CC2=O)C1 1108553730 UVGHOGLZLCWQJU-UKRRQHHQSA-N 320.437 -0.249 30 20 DBED CN1C[C@H](C(=O)N(C)CCCNc2ccc(C#N)nn2)NC1=O 1109578676 LUTXXBQUHYKKED-LLVKDONJSA-N 317.353 -0.368 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1nc(C)c[nH]1 1109819554 RSMFGAXZJCFHEG-AGIUHOORSA-N 315.377 -0.197 30 20 DBED Cc1cc(C#N)nc(NC2(CNC(=O)[C@H](C)NC(N)=O)CC2)n1 1110104671 KGHKKUWDBJHHBH-VIFPVBQESA-N 317.353 -0.226 30 20 DBED CO[C@H](C)C(=O)NC[C@]1(O)CCN(c2cncc(C#N)n2)C1 1111026628 TXZGCQJUPRFJDM-QMTHXVAHSA-N 305.338 -0.559 30 20 DBED N#Cc1nccnc1NC1(CNC(=O)[C@H]2C[C@H]2C(N)=O)CCC1 1111904202 PARWZQHGNFRPHP-ZJUUUORDSA-N 314.349 -0.080 30 20 DBED CN(CCCN(C)c1cnc(C#N)cn1)C(=O)[C@H]1C[C@H]1C(N)=O 1112176608 ODUIKQYOOKSIMR-NEPJUHHUSA-N 316.365 -0.246 30 20 DBED COC(=O)NCC(=O)N1C[C@H](C)[C@@H](Nc2ccc(C#N)nn2)C1 1112298267 QYVLDAYNBNTCTK-ONGXEEELSA-N 318.337 -0.037 30 20 DBED C[C@@H]1CN(c2ccncc2C#N)CC[C@@H]1NC(=O)CNC(N)=O 1112392472 HGWIJJPZXRLERM-PWSUYJOCSA-N 316.365 -0.047 30 20 DBED C[C@@H]1C[C@H](NC(=O)CNC(N)=O)CCN1c1cnc(C#N)cn1 1112456645 ASGSIWJHBDISIF-NXEZZACHSA-N 317.353 -0.510 30 20 DBED CCc1c(C(=O)N2CCN(CC(=O)NCC#N)CC2)cnn1C 1113063415 GWBJCNPQGVUUDW-UHFFFAOYSA-N 318.381 -0.620 30 20 DBED CNC(=O)NCC(=O)N[C@@H](C)[C@@H](C)Nc1nccnc1C#N 1113349534 FWKGTRQESYFOOR-DTWKUNHWSA-N 305.342 -0.418 30 20 DBED C[C@@H](CNC(=O)[C@@H]1COCCO1)N(C)c1ccnc(C#N)n1 1113501972 REWXKNKYXZDKKZ-QWRGUYRKSA-N 305.338 -0.295 30 20 DBED C[C@@H](CNC(=O)C1CS(=O)(=O)C1)N(C)c1ncccc1C#N 1113734087 WJAVIIMZJCXBFB-JTQLQIEISA-N 322.390 -0.061 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)C[C@@H]3CCN(C)C3=O)[C@@H]2C1 1114445167 LILJSJIRQFYKLS-BFHYXJOUSA-N 319.405 -0.449 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)C(C)(C)N(C)CC)[C@@H]2C1 1114488362 LXJIMNXVYWXKCO-CHWSQXEVSA-N 320.437 -0.488 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3ncccc3F)[C@H]2C1 1115012839 AECNMYIZTNPHTM-QWRGUYRKSA-N 316.336 -0.370 30 20 DBED COc1ncc(NC(=O)C(=O)N(C)CCC#N)cc1C(N)=O 1116954510 VVELJRDUELLIRP-UHFFFAOYSA-N 305.294 -0.500 30 20 DBED C#CCNC(=O)CCNC(c1nccn1C)c1nccn1C 1118960564 YOJSSXOUQVMBMD-UHFFFAOYSA-N 300.366 -0.028 30 20 DBED C=CCCOCCNC(=O)C(=O)N1CCOC[C@H]1CCO 1119857210 YUGQQJYOVKFACU-GFCCVEGCSA-N 300.355 -0.695 30 20 DBED COC(=O)[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C#N)C2)C[C@H](C)O1 1120472621 AHPHKJZZMZBKJB-TUAOUCFPSA-N 323.349 -0.463 30 20 DBED COCc1nc(C)cc(N[C@H](CO)CNC(=O)[C@@H](C)C#N)n1 1121204505 HRTQHYIWENJHPN-ONGXEEELSA-N 307.354 -0.020 30 20 DBED Cc1cc(=N[C@H](CO)CNC(=O)c2cocn2)c(C#N)c[nH]1 1121332511 RJUWBVSOOPRZFZ-NSHDSACASA-N 301.306 -0.126 30 20 DBED Cc1cc(C(=O)NC[C@H](CO)Nc2cncc(C#N)n2)cnn1 1121359807 NGBKJLPITYRFNT-GFCCVEGCSA-N 313.321 -0.351 30 20 DBED CCn1nncc1C(=O)NC[C@H](CO)N=c1cc[nH]cc1C#N 1121473724 ZOEKLPUQVDLPIX-LLVKDONJSA-N 315.337 -0.811 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H](CO)CNC(=O)Cc1ncc[nH]1 1121978301 ZLKZHXYRUBJDMZ-LLVKDONJSA-N 300.322 -0.770 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)[C@H](C)OCC 1123974292 KLJSLWZJPNRZQK-QWRGUYRKSA-N 314.386 -0.483 30 20 DBED CC(=O)N[C@@H](C)C(=O)N(C)C[C@@H](O)CNc1ccc(C#N)nn1 1124059465 HVVFTNSMDCEKPB-CABZTGNLSA-N 320.353 -0.896 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)C[C@@H]1CCCO1 1124174298 LDCOWZDNJRZLCI-RYUDHWBXSA-N 319.365 -0.430 30 20 DBED CN(C[C@@H](O)CNc1ncc(C#N)cc1Cl)C(=O)C(N)=O 1124703639 CSQXSDWUGXIMDN-QMMMGPOBSA-N 311.729 -0.677 30 20 DBED CN(C[C@@H](O)CN(C)c1ccc(C#N)nn1)C(=O)c1nc[nH]n1 1125139382 JOQXFDUYNSWHGX-JTQLQIEISA-N 316.325 -0.964 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)c2cnn(C)c2N)C1=O 1126099115 GBKVYXMMFAQQRJ-LLVKDONJSA-N 306.370 -0.891 30 20 DBED C=C(Br)CNCCNC(=O)CN(C)C(=O)COC 1128619401 XHKFGJQTOGCOJS-UHFFFAOYSA-N 322.203 -0.294 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(CCF)C[C@@H]1n1ccnn1 1128980059 LVSNGSIFWNIVRC-UPJWGTAASA-N 309.345 -0.373 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(CC=C)C[C@@H]1n1ccnn1 1128999378 VUMBZVUZBMZGCC-KGLIPLIRSA-N 303.366 -0.155 30 20 DBED CCCN(C)CC(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1 1129403753 HTVOZGFPXJIQOG-OLZOCXBDSA-N 305.386 -0.515 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)CC[C@@H]1CCCN1C 1129845925 KTUVZELVZXXHNT-KBPBESRZSA-N 308.426 -0.296 30 20 DBED C=CCCN[C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@@H]1n1ccnn1 1129899856 PDFFNAYYYRLYGQ-NEPJUHHUSA-N 320.397 -0.293 30 20 DBED C#CCNC(=O)CNCCNC(=O)C(C)(C)n1cnc(C)c1 1130164593 BXSVMFONZNJEBZ-UHFFFAOYSA-N 305.382 -0.618 30 20 DBED C#CCCN1C[C@H]2C[C@H]3CN(C(=O)CC(=O)N(C)C)C[C@@]3(C1)O2 1131273176 FAWLVEWHIXEGON-JJRVBVJISA-N 319.405 -0.210 30 20 DBED C=CCCC(=O)N1CCC(=O)NCCN([C@H](C)C(=O)NC)CC1 1131336667 DMKPOWCCUKLBKJ-CYBMUJFWSA-N 324.425 -0.262 30 20 DBED COCC#CCN1CCN([C@H]2CCCN(C(C)=O)C2)C(=O)C1 1131701317 RYFBVEIYHXCTNR-HNNXBMFYSA-N 307.394 -0.209 30 20 DBED C[C@H]1CC[C@H](NC(=O)c2cnon2)CN1CC(=O)NCC#N 1132369519 YGKDXTQPIGJMRH-UWVGGRQHSA-N 306.326 -0.708 30 20 DBED Cc1ncncc1C(=O)N[C@@H](C)C[C@H](C)NCC(=O)NCC#N 1133813112 UZZJTOKVHAKERV-QWRGUYRKSA-N 318.381 -0.089 30 20 DBED Cc1cc(C(=O)N[C@@H](C)C[C@@H](C)NCC(=O)NCC#N)cnn1 1134206378 TUHJFEXQLWRCAZ-MNOVXSKESA-N 318.381 -0.089 30 20 DBED Cc1n[nH]c(C)c1[C@H](C)C(=O)NCCNCC(=O)NCC#N 1135428779 KULKUXGQXZLYJR-VIFPVBQESA-N 306.370 -0.524 30 20 DBED C=CCN[C@H](C)C[C@H](C)NC(=O)CNS(=O)(=O)N(C)C 1135568369 MQJZAFXCJBNRGL-MNOVXSKESA-N 306.432 -0.559 30 20 DBED C#CCO[C@H](C)C(=O)N1CC2(CCN(C[C@H](O)COC)C2)C1 1147530259 HVNSRIKOARSRAD-KGLIPLIRSA-N 310.394 -0.434 30 20 DBED CC#CCN1CCC(CCOC)(NC(=O)CNC(N)=O)CC1 1150930475 MMOXPDGVVBBAQK-UHFFFAOYSA-N 310.398 -0.335 30 20 DBED C#CCN1CCC(C(=O)NCCNCCOCCOC)CC1 1152324742 ZXERJDGBCVWZJQ-UHFFFAOYSA-N 311.426 -0.300 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)c1cc(C(N)=O)cs1 1152604179 WWOWEYJMWBFSFM-VIFPVBQESA-N 324.406 -0.143 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)C[C@H]1COC(=O)C1 1152764411 YDZWKNPSDBIJLQ-CHWSQXEVSA-N 323.393 -0.484 30 20 DBED C[C@H](C#N)C(=O)NCCC1=CCN(CC(=O)NC(N)=O)CC1 1159587125 IOALOILFDUXLNX-SNVBAGLBSA-N 307.354 -0.521 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 1160336965 PKWQALBOWMTACN-YNEHKIRRSA-N 317.393 -0.253 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1cn(C)nc1COC 1161263453 ZLIUZIVWAYFCMF-UHFFFAOYSA-N 321.381 -0.975 30 20 DBED N#CCNC(=O)CNCC1(CCNC(=O)Cc2cc[nH]n2)CC1 1163921502 UPJGXYGDPOSZIU-UHFFFAOYSA-N 318.381 -0.532 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@](C)(NC(C)=O)C1CC1 1170859269 LJGJZWMCDSAEGE-MRXNPFEDSA-N 322.409 -0.864 30 20 DBED C#CCNCCCC[C@@H](C)NC(=O)CNS(=O)(=O)N(C)C 1175503385 ORRFTOJUNHFYGX-GFCCVEGCSA-N 318.443 -0.720 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)c2ncn(C)n2)[C@H]1C 1178632215 JPUBINWJOGGBMQ-WOPDTQHZSA-N 320.397 -0.302 30 20 DBED C=C(C)CN[C@H]1CCN(C(=O)CNS(=O)(=O)N(C)C)[C@H]1C 1179626300 HJEAXEFLHBHKFT-RYUDHWBXSA-N 318.443 -0.463 30 20 DBED C[C@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)Cc1cscn1 1179671178 WYLUGKXTQYHKNM-JQWIXIFHSA-N 321.406 -0.096 30 20 DBED C=CCCO[C@H](C)C(=O)N1CC[C@@H](NCc2nnn(C)n2)C1 1181476385 PGBKLGIRKYGMEI-VXGBXAGGSA-N 308.386 -0.118 30 20 DBED CC#CCN[C@H]1CCO[C@@H](C2CCN(C(=O)C(N)=O)CC2)C1 1186086507 RFMCAWGCSYWICH-UONOGXRCSA-N 307.394 -0.129 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)C[C@H]2COC(=O)C2)C1 1189654181 YWYMDRWEFOGBBW-OLZOCXBDSA-N 323.393 -0.226 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2ccc(C)nn2)C1 1190055497 ZMJRCHZGWDDTRL-ZDUSSCGKSA-N 315.377 -0.319 30 20 DBED C=CCOCCN(C)[C@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 1191698014 XZALLOYDDXNLJL-AWEZNQCLSA-N 324.425 -0.847 30 20 DBED CCc1nnc(CN2C[C@@H](O)[C@H](NC(=O)C#CC3CC3)C2)n1C 1192770746 QGOITHLFEQDMAU-CHWSQXEVSA-N 317.393 -0.548 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)CNC(=O)c2ccncc2)C1 1193140967 JJNLQONALRYHFO-ZIAGYGMSSA-N 318.377 -0.451 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)[C@H](OC)C2CCC2)C1 1195072580 HOKYNSZAYNFQFC-RBSFLKMASA-N 310.394 -0.387 30 20 DBED COCC#CCN1CCCN(C(=O)c2cnn(C)c2N)CC1 1195550111 YACCQRRMXWYPSV-UHFFFAOYSA-N 305.382 -0.200 30 20 DBED N#CCNC(=O)CN1CCCN(C(=O)C2=CCOCC2)CC1 1195580183 GMKSMLHYIGTMDY-UHFFFAOYSA-N 306.366 -0.493 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)COC[C@@H](C)N2CCCC2)C1 1196306436 BVGOZDZRGHWJOJ-BZUAXINKSA-N 323.437 -0.328 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCCN(C(=O)CN(C)C(C)C)CC1 1198259908 UDSWVUVRLGGWJF-OAHLLOKOSA-N 322.453 -0.001 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2nonc2C)C[C@H]1O 1199312697 GXTLRNQGRDIZGF-CYZMBNFOSA-N 310.354 -0.370 30 20 DBED COCC#CCNC1CCN(C(=O)CCn2ccnn2)CC1 1200237232 KFZDLIUESKMLSC-UHFFFAOYSA-N 305.382 -0.101 30 20 DBED C=C(C)CNC[C@@H]1CN(C(=O)[C@@H]2CN(C)C(=O)N2)CCCO1 1201154051 BXXOOPDZGMVAFT-OLZOCXBDSA-N 310.398 -0.207 30 20 DBED COCC#CCN[C@H]1CCCN(C(=O)c2nnn(C)c2C)C1 1207731306 HSMDJRIDMJBYRO-ZDUSSCGKSA-N 305.382 -0.032 30 20 DBED CO[C@H](C(=O)N1CCC[C@@H](NCC(=O)NCC#N)C1)C1CC1 1207934844 JAIXOJNPQDNXFA-OCCSQVGLSA-N 308.382 -0.368 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)c2cnc(C)n2C)C1 1209250433 FQNLTSRICBTXJI-ZDUSSCGKSA-N 317.393 -0.328 30 20 DBED C=CCOCCCC(=O)N[C@@H]1CN([C@H](C)C(N)=O)C[C@H]1OC 1212085323 OUVFNGFICADSDX-JHJVBQTASA-N 313.398 -0.342 30 20 DBED CC#CCN1C[C@@H](NC(=O)CCS(C)(=O)=O)[C@H](OC)C1 1212477084 RSJYIHSIVZMSDR-VXGBXAGGSA-N 302.396 -0.740 30 20 DBED COCC#CCN1C[C@@H](NC(=O)c2coc(OC)n2)[C@H](OC)C1 1213221684 MYOQVTZYWBAUHI-DGCLKSJQSA-N 323.349 -0.238 30 20 DBED C[C@@H]1CN(C(=O)[C@@]2(F)CCOC2)C[C@H]1NCC(=O)NCC#N 1215393052 MHGTWRLQXFANOC-JTNHKYCSSA-N 312.345 -0.809 30 20 DBED CCN1CC[C@H](N2C[C@H](O)[C@H](NC(=O)C#CC3CC3)C2)C1=O 1219593272 JWMOPEAYHLVINV-RDBSUJKOSA-N 305.378 -0.818 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(CC#CCOC)C[C@@H]1O 1219656269 UBNIJXBGTCEBIJ-WCVJEAGWSA-N 322.405 -0.221 30 20 DBED CC(C)(NS(C)(=O)=O)C(=O)N1C[C@H]2CCN(CC#N)C[C@H]21 1221857180 QYMGYHYFWLDDCN-GHMZBOCLSA-N 314.411 -0.630 30 20 DBED C#CCN1CCC(CNC(=O)CN2CC(=O)N(C)C2=O)CC1 1225149949 UDFCUGRNYQXSIM-UHFFFAOYSA-N 306.366 -0.658 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)C[C@@](C)(O)C2CC2)CC1 1226935096 ZIXKQNDWMICZCO-QGZVFWFLSA-N 321.421 -0.133 30 20 DBED C#CCC1(C(=O)NC2CCN(CC(=O)NC(N)=O)CC2)CCC1 1227753979 FLIMOUWVCGHFTC-UHFFFAOYSA-N 320.393 -0.045 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)[C@@H]2CCC(=O)N2C)CC1 1228712209 LUXIVSPMFYDADQ-ZDUSSCGKSA-N 322.409 -0.510 30 20 DBED C=CCNC(=O)CN1CC[C@H]1CN(C)C(=O)CCCC(=O)NC 1233836785 IYJBJEOTRZJSQO-ZDUSSCGKSA-N 324.425 -0.262 30 20 DBED C=C[C@@](C)(O)CC(=O)N(C)C[C@@H]1CCN1CCOCCO 1233935525 CEMKGRIZXXIMQL-DZGCQCFKSA-N 300.399 -0.145 30 20 DBED C#CCCN1CC[C@@H]1CN(C)C(=O)CCNS(C)(=O)=O 1234922000 HYRLAFGZKRMWSB-GFCCVEGCSA-N 301.412 -0.518 30 20 DBED CC#CCN1CC[C@H]1CN(C)C(=O)CNS(=O)(=O)CC 1234924352 RDEKNQIAYIEGIT-LBPRGKRZSA-N 301.412 -0.518 30 20 DBED C=CCN(C(=O)[C@@H](C)S(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1251870969 YCTVINGEUKYDTJ-NXEZZACHSA-N 309.409 -0.379 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)C23CCN(CC2)C3)C1 1265454103 FBHIKCLHWOBCNM-KBPBESRZSA-N 318.421 -0.589 30 20 DBED C#CCOCCNC(=O)C(=O)Nc1ccc(CCC(N)=O)cc1 1323744246 UXIRDNNVTAALAY-UHFFFAOYSA-N 317.345 -0.191 30 20 DBED C#C[C@H](NC(=O)C(=O)NCc1nnc(C)n1C)[C@@H]1CCCO1 1325998567 DPOBSFHGKOQLRN-QWRGUYRKSA-N 305.338 -0.963 30 20 DBED CN1CCN(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1 1327833344 PZEYQGDQFSVBLL-OUKQBFOZSA-N 307.354 -0.530 30 20 DBED N#CCNC(=O)CNC(=O)CCc1nc(-c2ccccn2)no1 1329329854 LHVXRSPDZKQTGW-UHFFFAOYSA-N 314.305 -0.180 30 20 DBED CC1(O)CCN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CC1 1332006144 HGOFJOWYRYMQKO-ZDUSSCGKSA-N 320.393 -0.441 30 20 DBED CN(C[C@@H]1CCCOC1)C(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1332377942 WYNKHLFXJRUVMP-WFASDCNBSA-N 309.366 -0.252 30 20 DBED C=C(C)CN(C)C(=O)C(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 1335602970 XJEKQKIPVTUWEH-LLVKDONJSA-N 317.411 -0.439 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)Nc1nn(C)cc1C(=O)OC 1337253691 PAALQRUZUZJXKB-UHFFFAOYSA-N 316.317 -0.370 30 20 DBED C#CCNCC(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1 1340604404 HOPJWUFVHFNSKV-UHFFFAOYSA-N 309.391 -0.224 30 20 DBED C#CCN(C)c1nnnn1CC1CCN(S(C)(=O)=O)CC1 1344681813 BPUTXKPKCQCVEY-UHFFFAOYSA-N 312.399 -0.586 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)[C@@H]2CN3CCN2C[C@H]3C)C1=O 1349797005 BDENHVGTJAHJMS-RDBSUJKOSA-N 306.410 -0.380 30 20 DBED N#CCCN1CCN(CN2C(=O)c3nccnc3C2=O)CC1 1352116281 KNVGSFFNBSTHGJ-UHFFFAOYSA-N 300.322 -0.439 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[C@H](N)C2)CCN1C1CC1 1353047312 DKFRITLLLFOBTE-OUCADQQQSA-N 319.409 -0.429 30 20 DBED CN(C[C@H]1CCCC[C@@H]1O)C(=O)Cn1cc(C#N)c(O)nc1=O 1362292465 GRUUADGTRQHWBO-PWSUYJOCSA-N 320.349 -0.170 30 20 DBED N#Cc1cn(CC(=O)N[C@@H]2CCc3c[nH]nc3C2)c(=O)nc1O 1362572391 WUKAPOLYIQUWFV-SNVBAGLBSA-N 314.305 -0.783 30 20 DBED C[C@@H](C(=O)NC1CCCC1)N1CC(O)(CNC(=O)[C@H](C)C#N)C1 1376139502 DFVBIBMCJASDMD-NEPJUHHUSA-N 322.409 -0.244 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)c2cn(C)c(=O)n2C)CC1 1378886942 XOAFMOHYDVWKRA-VIFPVBQESA-N 305.338 -0.738 30 20 DBED C[C@H](CN(C)C(=O)c1cc(C#N)c[nH]1)NC(=O)[C@H](C)CC(N)=O 1381938608 JXOVTUXAONNPEN-NXEZZACHSA-N 319.365 -0.025 30 20 DBED Cc1nc(CC(=O)N[C@H](C)C2CN(C(=O)[C@H](C)C#N)C2)n[nH]1 1383274693 MAIHWUYXDYMQKR-RKDXNWHRSA-N 304.354 -0.222 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CN(C)C(=O)CCCn1cccn1 1384227796 WQTJWXBVFULRAG-CHWSQXEVSA-N 321.381 -0.242 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CCN(C(=O)c2ccc(=O)n(C)n2)C1 1385351783 SIPJIWCESDCDLD-NXEZZACHSA-N 303.322 -0.729 30 20 DBED CCc1cnc(O)c(C(=O)NC[C@@H](O)CNC(=O)[C@H](C)C#N)c1 1389131018 UFLWGRCPYPCEFI-KOLCDFICSA-N 320.349 -0.284 30 20 DBED C[C@@H](C#N)C(=O)NC1CC(N(C)C(=O)CCn2cncn2)C1 1396178056 VKBWYDHCMRWIRV-UNXYVOJBSA-N 304.354 -0.067 30 20 DBED CC(C)[C@H](CNC(=O)c1ccc(=O)n(C)n1)NC(=O)[C@@H](C)C#N 1399625664 NUWSNQPTLFJUBK-JQWIXIFHSA-N 319.365 -0.189 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CCN(C(=O)c2ccc3nnnn3c2)C1 1407769425 YSENKIQDPUGBLK-ONGXEEELSA-N 313.321 -0.385 30 20 DBED CN(CCNC(=O)[C@@H]1CCC(=O)N1)C(=O)c1cc(C#N)c[nH]1 1408642107 AELKYWUKQQRNDT-JTQLQIEISA-N 303.322 -0.647 30 20 DBED C[C@H](CNC(=O)c1cc(C#N)c[nH]1)N(C)C(=O)c1ncn(C)n1 1411520224 FXQTYPGZIIFJKE-SECBINFHSA-N 315.337 -0.095 30 20 DBED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCOCN2)cc1 1412644154 PYCKFGPCVHEINX-UHFFFAOYSA-N 310.335 -0.843 30 20 DBED Cn1c(=O)[nH]c(N2CCc3nnc(O)cc3C2)c(C#N)c1=O 1412885101 PNRYIQDKNBCGPV-UHFFFAOYSA-N 300.278 -0.996 30 20 DBED CC(C)[C@@H](CNC(=O)c1cn(C)c(=O)n1C)NC(=O)[C@@H](C)C#N 1416595132 OVOVLJRVSFQIGY-WDEREUQCSA-N 321.381 -0.246 30 20 DBED CCN(CCN[C@@H](C)C(=O)NC(=O)NC1CC1)C(=O)[C@@H](C)C#N 1422429547 SWZOUUFNECOUCH-QWRGUYRKSA-N 323.397 -0.039 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)C[C@@H]2CCN(C)C2=O)CC1 1432292547 FTUAOYHHPFAHMG-MNOVXSKESA-N 306.366 -0.221 30 20 DBED N#Cc1cn(CC(=O)NCc2ccccc2CO)c(=O)nc1O 1433811544 XHKRDXJOVDXNBI-UHFFFAOYSA-N 314.301 -0.371 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C)C(=O)[C@H]1CCc2nncn2C1 1455436943 XLLYOCXUWJSQJY-QWRGUYRKSA-N 304.354 -0.425 30 20 DBED C=C(Br)CNC[C@@H](O)CNC(=O)c1ncn(C)n1 1496977408 NGEOWPMUWRNIEN-MRVPVSSYSA-N 318.175 -0.596 30 20 DBED CC(C)c1nnnn1CC(=O)NC[C@@H](C)CNC(=O)[C@H](C)C#N 1500240309 JXWROXBXHSAELH-GHMZBOCLSA-N 321.385 -0.175 30 20 DBED N#Cc1nc(N2CCC(NC(N)=O)CC2)cnc1-c1nn[nH]n1 1570919551 WSXBVFSWCXSROY-UHFFFAOYSA-N 314.313 -0.835 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)Nc1n[nH]cc1-c1nn[nH]n1 1588404572 IJGJHVRCFSAQLK-VIFPVBQESA-N 304.314 -0.001 30 20 DBED Cn1cc([C@@H](O)CNc2cnc(-c3nn[nH]n3)c(C#N)n2)cn1 1592567680 MRLFXMNCNGOCBF-VIFPVBQESA-N 312.297 -0.593 30 20 DBED N#Cc1ncc(N2C[C@@H](O)CC(F)(F)C2)nc1-c1nn[nH]n1 1592708281 GCOLOHAQIDCORG-LURJTMIESA-N 308.252 -0.265 30 20 DBED Cn1cc([C@H]2C[C@H](C(=O)O)CN(CC(=O)NCC#N)C2)cn1 1594537968 JXNDOJBCIRVDTB-QWRGUYRKSA-N 305.338 -0.450 30 20 DBED CN(C(=O)c1c[nH]c(C#N)c1)C1CN(C(=O)[C@H]2C[C@@H]2C(=O)O)C1 1598071922 DNSXWUSVXFAQAI-RYUDHWBXSA-N 316.317 -0.110 30 20 DBED N#Cc1cccc(NC(=O)C(=O)N2CCC[C@@H](O)[C@@H]2C(=O)O)n1 1601123053 YNWKOUPEGORYHD-MWLCHTKSSA-N 318.289 -0.672 30 20 DBED C[C@](CO)(NS(=O)(=O)Cc1csc(C#N)c1)C(=O)O 1604199156 UKGQJJQNJUJUCG-SNVBAGLBSA-N 304.349 -0.125 30 20 DBED Cc1[nH]nc(S(=O)(=O)N2CCOC[C@@H]2C#N)c1C(=O)O 1607941182 ZBQGGTMWJYMCOT-ZETCQYMHSA-N 300.296 -0.671 30 20 DBED O=C(O)[C@H]1C[C@H](O)CN(C(=O)c2cccc(C#CCO)c2)C1 1608602689 VPVFFDMRHOPWCY-KBPBESRZSA-N 303.314 -0.062 30 20 DBED Cc1nnc(NCCn2cnc(C#N)n2)c(-c2nn[nH]n2)c1C 1609461428 ZMHXXBJGPBWCRQ-UHFFFAOYSA-N 311.313 -0.151 30 20 DBED N#Cc1ncn(CC(=O)Nc2cccc(Cc3nn[nH]n3)c2)n1 1642173755 VESQPWIPFHQTGT-UHFFFAOYSA-N 309.293 -0.108 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)[C@H]2CN(CC)CCO2)C1 1690111024 HXTKTKZDQHNIRF-UONOGXRCSA-N 324.425 -0.800 30 20 DBED C=CCOCC(=O)N[C@H]1C[C@H](NCC(=O)NC(=O)NC2CC2)C1 1752621789 JLMULHXBXAZWRX-HAQNSBGRSA-N 324.381 -0.586 30 20 DBED C#CCNC(=O)CN[C@H](C)CCNC(=O)CNC(=O)C(C)(C)C 1753019804 PFNBKKKESPQALB-GFCCVEGCSA-N 324.425 -0.618 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NCCN(C)[C@@H]1CCCNC1=O 1753066937 UOULWOKBSBNQQM-UONOGXRCSA-N 324.425 -0.216 30 20 DBED C#CCNC(=O)CN1CC[C@@H](CNC(=O)[C@@H](OC)C2CCC2)C1 1753130128 AAPCJFYTPGDZTI-BBRMVZONSA-N 321.421 -0.011 30 20 DBED C#CCNC(=O)[C@@H](C)NCc1ccc(CNC(=O)C(N)=O)cc1 1753590804 PASIETISBBGNRB-LLVKDONJSA-N 316.361 -0.984 30 20 DBED C=CCOCCN1CC[C@@H]2CN(C(=O)Cn3ncnn3)CC[C@H]21 1753872945 QATLCWGKDFJYKR-ZIAGYGMSSA-N 320.397 -0.202 30 20 DBED C#CCNC(=O)CNC[C@H](O)CNC(=O)[C@H]1CCC(C)(C)C1 1753927156 DZEGYOAARFYVPZ-STQMWFEESA-N 309.410 -0.371 30 20 DBED C=CCCn1cc(C(=O)NCC2(N[C@H]3CCNC3=O)CC2)nn1 1754528499 KKRPRHDFJDSQNT-NSHDSACASA-N 318.381 -0.405 30 20 DBED C=CCOCC(=O)N1CCO[C@H](CNCc2cn(CC)nn2)C1 1754997140 SKJDSIPTRQZGJS-CQSZACIVSA-N 323.397 -0.182 30 20 DBED N#CCNC[C@@H]1CN(C(=O)[C@@H]2CCn3ccnc3C2)CCO1 1755005612 RLAWYJDCLWIZQS-CHWSQXEVSA-N 303.366 -0.214 30 20 DBED C[C@H](CC(N)=O)C(=O)N[C@H]1CCCN(CC(=O)NCC#N)CC1 1755026212 KFCYACIUXYZDTH-NEPJUHHUSA-N 323.397 -0.892 30 20 DBED N#CCN1CC2(CC[C@@H](CNC(=O)CN3CCCNC3=O)O2)C1 1755054360 MTLQBPKKGAKQTN-LBPRGKRZSA-N 321.381 -0.725 30 20 DBED C#CCN1CC(CCO)(NC(=O)[C@@]23C[C@H]4C[C@@H](C(=O)N2)[C@H]3C4)C1 1755334214 WTIYTZDREBNBJE-ZBYUQBLASA-N 317.389 -0.913 30 20 DBED C=CCCN[C@H](CO)CNC(=O)c1ccc(S(N)(=O)=O)o1 1755644322 UHMIOCOACNWGPE-VIFPVBQESA-N 317.367 -0.817 30 20 DBED C[C@@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)c1ccns1 1755654662 PTDJRUGOIQQZLS-ZJUUUORDSA-N 307.379 -0.025 30 20 DBED C#CCN(C)C[C@@H](O)CN(C)C(=O)c1c(OC)ncnc1OC 1755807536 IEJFKEAMTFSITO-LLVKDONJSA-N 322.365 -0.508 30 20 DBED C[C@H](CNC(=O)CSCC#N)N(C)C(=O)CCNC(N)=O 1756006326 QCDQFGVRLYMRPK-SECBINFHSA-N 315.399 -0.735 30 20 DBED Cc1cncn1CC(=O)NCCOCCN(C)C(=O)[C@H](C)C#N 1756378686 UBACKSOAOHPZPB-GFCCVEGCSA-N 321.381 -0.058 30 20 DBED C=CCOCC(=O)N(C)C[C@@H](C)NC(=O)[C@@H]1CN(C)CCO1 1756439471 ZVWVBNNLQUGUHS-OLZOCXBDSA-N 313.398 -0.517 30 20 DBED C#CCOCCC(=O)N[C@H](C)CN(C)C(=O)[C@H]1COC(=O)N1 1756448550 VLOYRTVQSBRDIP-GHMZBOCLSA-N 311.338 -0.902 30 20 DBED C#CCC1(C(=O)N[C@H](CO)CNC(=O)[C@@]23COC[C@@H]2C3)CCC1 1756527174 CYNNYLUEDFRNFL-DCGLDWPTSA-N 320.389 -0.190 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H](CO)CNC(=O)c1cc(F)c[nH]1 1756536874 SAMCSLUVPARZSF-MWLCHTKSSA-N 313.329 -0.048 30 20 DBED C=CCOCC(=O)N1C[C@H](NC(=O)CN2CCCC2=O)C[C@H]1C 1756583805 QCMXTNWTYIYPGO-CHWSQXEVSA-N 323.393 -0.083 30 20 DBED CCn1nccc1C(=O)NC[C@@H](O)CN(C)C(=O)C#CC1CC1 1756662810 ORPXKPDUZWQXEB-CYBMUJFWSA-N 318.377 -0.135 30 20 DBED C=CCCC(=O)N[C@@H]1CN(C(=O)C(C)(C)NC(C)=O)C[C@H]1O 1756985115 RMSGISYNBRSXQY-VXGBXAGGSA-N 311.382 -0.445 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@H](NC(=O)CCc2cnn[nH]2)C1 1757212770 XJQDBXUMHRBROL-NEPJUHHUSA-N 307.354 -0.609 30 20 DBED C=CCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CNC(=O)C3)C2)C1 1783166595 LZLZCODUXPQYSU-WBMJQRKESA-N 321.377 -0.472 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)cco1)C2 1800450743 IWBZZDHKKUNYOE-QHBPRCKVSA-N 316.313 -0.524 30 20 DBED C#CCCC(=O)N1CCCC12CN(C(=O)[C@@H]1C[C@H](O)CN1)C2 1846998598 JTPRJEJDHOLRRE-STQMWFEESA-N 305.378 -0.674 30 20 DBED CC(C)(C#N)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 49313681 HHMBAURFZQVTHI-UHFFFAOYSA-N 302.400 -0.770 30 20 DBED C=CCN(CC(=O)O)S(=O)(=O)N1CCC[C@@H]1C(=O)OCC 92463851 JZJHHORAMJHONU-SNVBAGLBSA-N 320.367 -0.169 30 20 DBED C#CCNC(=O)[C@@H](C)Sc1nnc(-c2cc(C)n[nH]2)n1N 125762664 RIGYFBWNUDNCJA-MRVPVSSYSA-N 305.367 -0.080 30 20 DBED C[C@H]1[C@@H](C)N(c2c(C#N)c(=O)n(C)c(=O)n2C)CC[S@@]1=O 265669820 ZBBNXFSIVJVWAC-HORACTTISA-N 310.379 -0.699 30 20 DBED N#CCCCNC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 273629312 WWOKLDKYQIRIPI-UHFFFAOYSA-N 321.381 -0.234 30 20 DBED N#Cc1ccc(S(=O)(=O)NC[C@H](CO)[C@H]2CCOC2)cn1 281096103 WKNZMFHIZDEGPQ-WDEREUQCSA-N 311.363 -0.123 30 20 DBED CC(C)(C)N1C[C@H](NC(=O)NCCn2cnc(C#N)n2)CC1=O 288391817 AHMKVFNOLIZDEJ-SNVBAGLBSA-N 319.369 -0.152 30 20 DBED C/N=C(/O)N[C@@H]1CCN([C@H]2CCN(c3cnn(C)c3)C2=O)C1 329826283 IPSDPVVCOQIAHD-PWSUYJOCSA-N 306.370 -0.267 30 20 DBED C[C@H](C#N)NC(=O)CCC(=O)N1CCN(c2ncccn2)CC1 331113724 JWKSMRVCCMSAQC-GFCCVEGCSA-N 316.365 -0.066 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C(N)=O)CCO1 336950766 UANMNVDBMGQEKK-OUAUKWLOSA-N 316.383 -0.911 30 20 DBED CC[C@H](C)[C@](C)(O)CNS(=O)(=O)N1CCO[C@H](C#N)C1 337089178 IGBDNUQBIDTILG-QJPTWQEYSA-N 305.400 -0.158 30 20 DBED CC[C@@H]1CN(CCNC(=O)[C@H](C)n2cnc(C#N)n2)CCO1 337191762 XHAJBDSIGWVMRR-NWDGAFQWSA-N 306.370 -0.062 30 20 DBED CCOCCS(=O)(=O)NCC(=O)N(CC)C[C@@H](C)C#N 341377552 UAGCRVLYMCWZHA-NSHDSACASA-N 305.400 -0.050 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N1CCOC[C@]12CCOC2 367183269 BJQIAVALOIEFBJ-VXGBXAGGSA-N 303.384 -0.044 30 20 DBED COCCN(C)CCN1C[C@H](NC(=O)[C@]2(C#N)C[C@H]2C)CC1=O 425310359 DUOXYKPGWGQJDQ-IOASZLSFSA-N 322.409 -0.169 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)C2(C#N)CCCC2)CC1 491308867 WPTVWXVTLAZSNH-UHFFFAOYSA-N 302.378 -0.036 30 20 DBED C#CCN1CCN(C(=O)CN2C[C@@H](C)O[C@]3(CCOC3)C2)CC1 491504201 GRACAUWKTVLRCV-NVXWUHKLSA-N 321.421 -0.356 30 20 DBED C#CCNC(=O)CCN1CCC([C@]2(C)NC(=O)NC2=O)CC1 491635856 UDPPQVVWRFKRKW-HNNXBMFYSA-N 306.366 -0.564 30 20 DBED C=CCCn1cc(C(=O)N[C@H]2CCN(S(C)(=O)=O)C2)nn1 522005160 VSYMBUSXYASSBN-JTQLQIEISA-N 313.383 -0.382 30 20 DBED COc1cc(C#N)ccc1NC(=O)C(=O)NC[C@]1(O)CCOC1 546707775 MUURRBPVVGBZNB-OAHLLOKOSA-N 319.317 -0.227 30 20 DBED N#Cc1ncn(CCNC(=O)NCCCN2CCOCC2)n1 558345727 QQNQIJLWFYVSOE-UHFFFAOYSA-N 307.358 -0.829 30 20 DBED CNS(=O)(=O)CCNC[C@@H](O)COc1ccc(C#N)cc1 567346577 OLDGJUPOYVQJET-GFCCVEGCSA-N 313.379 -0.563 30 20 DBED CC(C)[C@](C)(C#N)NC(=O)CN1C(=O)NC2(CCNCC2)C1=O 569482035 XHHJQMGILRYPFI-AWEZNQCLSA-N 321.381 -0.285 30 20 DBED COC(=O)COCCNC(=O)C(=O)Nc1ccc(C#N)cc1 600046131 YMHWFMCFPISRKU-UHFFFAOYSA-N 305.290 -0.197 30 20 DBED N#CCCN1CCN(C(=O)NCCN2C(=O)CCC2=O)CC1 601573770 WGAGLCROMVBUCS-UHFFFAOYSA-N 307.354 -0.624 30 20 DBED C=C[C@](C)(O)C(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F 614693750 RDXOJOUGYWPWEV-APPZFPTMSA-N 318.317 -0.138 30 20 DBED N#C[C@]1(F)CCN(C(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)C1 615595145 ODOVPIXEEXTRRH-VGBWGTMZSA-N 321.308 -0.387 30 20 DBED CC(=O)NCc1ccc(S(=O)(=O)NCC#CCO)s1 632516315 AZEVRUVDZRNYQF-UHFFFAOYSA-N 302.377 -0.342 30 20 DBED CC#CCNCc1cn(CCN2C(=O)NC(C)(C)C2=O)nn1 640950976 AHOSLVGZOANWMC-UHFFFAOYSA-N 304.354 -0.279 30 20 DBED C#Cc1ccc(C(=O)OCC(=O)N[C@@H](C)C(=O)N(C)C)cn1 729031101 DEYGOWSLAMHLII-JTQLQIEISA-N 303.318 -0.187 30 20 DBED N#C[C@@H]1CN(C(=O)COc2ccc(-c3nn[nH]n3)cc2)CCO1 737678191 HGRINBQBTONDSS-GFCCVEGCSA-N 314.305 -0.004 30 20 DBED C#CCOCCNC(=O)Nc1ccn(CCS(C)(=O)=O)n1 752659703 MNYDWJGBZLNCSH-UHFFFAOYSA-N 314.367 -0.301 30 20 DBED CC#CCCCC(=O)NCCS(=O)(=O)N1CCOCC1 767072237 VDGKBLQMXBBHBY-UHFFFAOYSA-N 302.396 -0.042 30 20 DBED C#C[C@H](NC(=O)CN1C(=O)C(=O)N(CC=C)C1=O)[C@@H]1CCCO1 772886011 OKDWJOZARLGQKD-QWRGUYRKSA-N 319.317 -0.740 30 20 DBED N#CC1(CS(=O)(=O)NC(=O)[C@H]2CC(=O)N(C3CC3)C2)CC1 793197955 UNAOQXFXXKFBED-VIFPVBQESA-N 311.363 -0.253 30 20 DBED COC(=O)c1cn(CCOC(=O)[C@H](C)n2cnc(C#N)n2)nn1 798860965 CJKLUSKIOPRCRN-QMMMGPOBSA-N 319.281 -0.668 30 20 DBED CC#CCS(=O)(=O)NC(=O)[C@H](C)Sc1nncn1C 810779016 VIMMBZIOAVSSSM-QMMMGPOBSA-N 302.381 -0.235 30 20 DBED C=CCOC[C@@H](NS(=O)(=O)N(C)C1CCOCC1)C(=O)O 830148417 VMDYAULAYWDKHA-LLVKDONJSA-N 322.383 -0.413 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)CC(F)(F)F)CC1 831557007 ZBZUZKWCOSMBIC-UHFFFAOYSA-N 313.301 -0.449 30 20 DBED C=C[C@@H](C)ONC(=O)CNS(=O)(=O)c1cn(C)c(C)n1 846551757 XBORGGNYUNFDJZ-MRVPVSSYSA-N 302.356 -0.371 30 20 DBED C#CCN(C)CCCNC(=O)N[C@H]1CS(=O)(=O)C[C@H]1OC 852359779 NIFSBHUZSKABCI-NWDGAFQWSA-N 317.411 -0.947 30 20 DBED C#CC1(O)CN(C(=O)CN(C)S(=O)(=O)c2ccccc2)C1 890521271 YMHFDLZOVUEELU-UHFFFAOYSA-N 308.359 -0.486 30 20 DBED CN1CC[C@@H]2CC[C@H](C1)N2c1c(C#N)c(=O)n(C)c(=O)n1C 895193563 WNKHGQFJZAFTSV-WDEREUQCSA-N 303.366 -0.371 30 20 DBED C#CCNC(=O)C1CCN(C(=O)N[C@@H]2C[C@@H](C)OC2=O)CC1 896336189 LRVUMUXEEJAUNA-ZYHUDNBSSA-N 307.350 -0.139 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)CC1 900037995 NXZXOQCKBRFMGF-OLZOCXBDSA-N 322.409 -0.666 30 20 DBED Cc1cc(C(=O)NCC#CCN(C)C)ccc1S(N)(=O)=O 913518576 VNMOYMMXQYHDSF-UHFFFAOYSA-N 309.391 -0.063 30 20 DBED CN(C)CC#CCNC(=O)[C@H]1COCCN1CC(F)(F)F 913521935 UCUMVZAROIIMMP-LLVKDONJSA-N 307.316 -0.069 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](NC(=O)c2cc(=O)n(C)cn2)C1 938175008 GWWXNWCPTPLAHS-ZJUUUORDSA-N 303.322 -0.729 30 20 DBED CC#CCN1CC[C@H](NC(=O)Cn2ncn(C)c2=O)[C@@H](C)C1 942200783 PAKDSNKXUNKELL-STQMWFEESA-N 305.382 -0.568 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCC[C@@H](NC(=O)C(N)=O)C1 943488823 VVZNBNSYEDTNBN-AGIUHOORSA-N 323.393 -0.050 30 20 DBED C#CCCN1CC[C@H](NC(=O)CN2C(=O)CN(C)C2=O)[C@H](C)C1 944810558 IUCDDTVYMHYOJT-OLZOCXBDSA-N 320.393 -0.270 30 20 DBED C=CCCN1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)C[C@@H]1C 948070179 NDSQAFJPWKJPHQ-RYUDHWBXSA-N 320.397 -0.078 30 20 DBED C=CCN1CCOC2(CCN(C(=O)CCn3cnnn3)CC2)C1 949500561 JRDBHIJNVGEKBS-UHFFFAOYSA-N 320.397 -0.057 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(Cc2nnnn2C)CC1 950590281 IWXCLMNZOIXHHG-NEPJUHHUSA-N 306.370 -0.555 30 20 DBED C=C(C)CCN1CC(N(CC)C(=O)c2cn(CC(N)=O)nn2)C1 957424203 IZXHCXPSLTZSQP-UHFFFAOYSA-N 320.397 -0.124 30 20 DBED C#CCN1C[C@H](CNC(=O)c2ncc(OC)cc2F)[C@@H](O)C1 958127283 WHOKGGMXVWXXNS-GWCFXTLKSA-N 307.325 -0.115 30 20 DBED CN(C)c1cc(C(=O)NC[C@@H]2CN(CC#N)C[C@H]2O)ccn1 958453019 JXEBDOFCKHXPEW-CHWSQXEVSA-N 303.366 -0.306 30 20 DBED C#CCN1C[C@H](CNC(=O)c2cccc3nnn(C)c23)[C@@H](O)C1 958763813 WKFLBBJFHORTKB-FZMZJTMJSA-N 313.361 -0.376 30 20 DBED C#CCN1C[C@H]2C(NC(=O)Cn3nc4n(c3=O)CCCC4)[C@@H]2C1 962236689 FYGYYGZRSAQENU-VXGBXAGGSA-N 315.377 -0.939 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2[C@@H]3CN([C@@H](C)C(=O)NC)C[C@@H]32)cn1 962327481 SXHVMOZBOBKXBQ-BSLXNSKLSA-N 312.373 -0.143 30 20 DBED C#Cc1ccc(C(=O)NC2[C@@H]3CN([C@H](CC)C(N)=O)C[C@@H]23)cn1 962327700 VJZOWQSSDPKLKJ-MGPQQGTHSA-N 312.373 -0.013 30 20 DBED CC#CCN1C[C@H]2C(NC(=O)CN3C(=O)NC(C)(C)C3=O)[C@@H]2C1 962458058 WEPRULPSXGQDPF-GHMZBOCLSA-N 318.377 -0.614 30 20 DBED Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)nn1 962907340 FBXKDLHGAIOKAB-AXTRIDKLSA-N 303.322 -0.754 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CCCN(C(=O)c3nnn(C)n3)[C@@H]2C1 963804501 GBGBYSOJEXKQNJ-OUAUKWLOSA-N 317.353 -0.567 30 20 DBED C=CCCn1cc(C(=O)N2CC3(C[C@H](NC(C)=O)CO3)C2)nn1 965578236 BTKPOEXHACJMOQ-LBPRGKRZSA-N 319.365 -0.026 30 20 DBED CC#CCN1CC[C@H](C)[C@@H](NC(=O)Cn2ccc(O)nc2=O)C1 967268886 ONGDYRHEJKBRML-STQMWFEESA-N 318.377 -0.201 30 20 DBED CCN(C(=O)[C@H]1COCCN1CC)C1CN(C(=O)[C@H](C)C#N)C1 968114094 XWGSAYAEYTVILX-TZMCWYRMSA-N 322.409 -0.074 30 20 DBED N#Cc1cc(C(=O)N2C[C@@H]3CC[C@H](C2)N3C(=O)CC(N)=O)c[nH]1 968704732 RYJOSWRPUBAEER-TXEJJXNPSA-N 315.333 -0.423 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)c1cn(C)nn1 968958157 AFAUDWVCNQJGNN-GARJFASQSA-N 302.338 -0.210 30 20 DBED Cc1c(C(=O)N2C[C@H]3CCN(C(=O)[C@H](C)C#N)C[C@H]32)nnn1C 971640139 XHVRFRNNLJQEMA-YUSALJHKSA-N 316.365 -0.044 30 20 DBED N#CCN1CCO[C@]2(CCN(C(=O)c3ccc(O)nn3)C2)C1 972235306 TWEUSLIJSJSTFM-CQSZACIVSA-N 303.322 -0.377 30 20 DBED C=CCCN1CCO[C@]2(CCN(C(=O)[C@@H]3CN(C)C(=O)N3)C2)C1 972503576 GXQSEBJHUUODKL-XJKSGUPXSA-N 322.409 -0.111 30 20 DBED N#Cc1cc(C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3CCNC3=O)C2)c[nH]1 973191151 PVLRVCIFIDYYAZ-NHCYSSNCSA-N 315.333 -0.601 30 20 DBED Cc1nc(CC(=O)N2CC[C@@H]3CN(C(=O)[C@@H](C)C#N)[C@@H]3C2)n[nH]1 974976350 VGHAPOOKXBQQIK-MVWJERBFSA-N 316.365 -0.125 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)[C@H]3CCCC(=O)N3)[C@H]2C1 976694191 WZELNRDMHYOEHK-ZTVLKNOQSA-N 304.350 -0.612 30 20 DBED C#CCN1C[C@@H]2C(CNC(=O)c3nnn(C(C)(C)C)n3)[C@H]2C1 978227909 QMDNTZMGZKIVPY-VXGBXAGGSA-N 302.382 -0.031 30 20 DBED C[C@H](C#N)C(=O)N1CCCCC[C@H](NC(=O)Cn2ncnn2)C1 987128589 HHEOJKMQRKUWCA-NEPJUHHUSA-N 319.369 -0.280 30 20 DBED C#CCN1CCCN(C(=O)Cn2nc3n(c2=O)CCCC3)CC1 989431266 PMNLLEUQXIBMSU-UHFFFAOYSA-N 317.393 -0.451 30 20 DBED C#CCCN1CCC[C@@H](NC(=O)CN2CCN(C)C(=O)C2)[C@@H]1C 993527063 YCWNJMBBXOXDMR-LSDHHAIUSA-N 320.437 -0.247 30 20 DBED C#CCN1CCC(C(=O)NC2CN(C(=O)c3cnn[nH]3)C2)CC1 993854861 IUFVOFWIQZZMGS-UHFFFAOYSA-N 316.365 -0.910 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](C)[C@H](CNC(=O)c2c[nH]c(=O)cn2)C1 994514325 CGGWYUCSUMOJRO-HBNTYKKESA-N 317.349 -0.246 30 20 DBED C#Cc1cncc(C(=O)NC2CN(C(=O)c3nccnc3N)C2)c1 999301233 AEAFNVKQFUMUEQ-UHFFFAOYSA-N 322.328 -0.311 30 20 DBED C[C@@H](C#N)C(=O)N1CC([C@@H](C)NC(=O)c2cnnc(O)c2)C1 1006257248 LWTTUMJSJKKTAD-DTWKUNHWSA-N 303.322 -0.081 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1[C@H]2CN(C(=O)C(N)=O)C[C@H]12 1009109138 ZYGOWLSDBCHEJV-SQNXGDPESA-N 321.377 -0.727 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H]2CCN([C@@H]3CCC(=O)NC3=O)C2)c1 1010476602 HOVLOLKRPKAXAF-CMPLNLGQSA-N 315.333 -0.504 30 20 DBED C[C@H](C#N)C(=O)N1CCCC2(CN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)C1 1010865551 BWNBBESXYVYXOC-UTUOFQBUSA-N 318.377 -0.282 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H](C)C#N)CC1 1011314117 DELWRIYLMOIXDD-KBPBESRZSA-N 302.378 -0.086 30 20 DBED Cc1cc(CC(=O)NC2[C@@H]3CN(C(=O)[C@@H](C)C#N)C[C@@H]23)n[nH]1 1012933798 NFVVNIQXFUGQAM-XXILOJSOSA-N 301.350 -0.007 30 20 DBED O=C(CN1CCOCC1)NC1[C@H]2CN(C(=O)C#CC3CC3)C[C@H]12 1012972035 JFMAFNLVVZHMRH-KBPBESRZSA-N 317.389 -0.695 30 20 DBED C#CCCN1CC[C@@H](NC(=O)C2(n3cnnn3)CCOCC2)C1 1015823651 WDQUKWLZLVONPT-CYBMUJFWSA-N 318.381 -0.607 30 20 DBED CC(=O)N1CCN([C@@H]2CCCN(C(=O)[C@@H](C)C#N)C2)C(=O)C1 1017876586 XWQRWPJMDHFJRC-WCQYABFASA-N 306.366 -0.172 30 20 DBED N#Cc1cc(C(=O)N2CCC3(CN(C(=O)C(N)=O)C3)C2)c[nH]1 1019353773 APTMHQHBXOEDMH-UHFFFAOYSA-N 301.306 -0.954 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)CC2=CCOCC2)C1 1025492130 IZHGAZHPAKJSHJ-RAIGVLPGSA-N 307.350 -0.429 30 20 DBED O=C(N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O)[C@@H]1C[C@H]2CC[C@@H]1O2 1025760684 DJMYLXQDGKZZKY-RYPNDVFKSA-N 318.373 -0.345 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)c2cc3n(n2)CCCO3)C1 1035443215 YEROUWVFPNRWRD-LBPRGKRZSA-N 304.350 -0.271 30 20 DBED CC[C@@H]1CN(C(=O)CN2C(=O)CCC2=O)CC[C@@H]1NCC#N 1037988525 XJZQAOKXYBAYEQ-NEPJUHHUSA-N 306.366 -0.124 30 20 DBED C#CCCCC(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2CCCN2C)C1 1039574505 ULNHCWYLPWOUQX-WMLDXEAASA-N 321.421 -0.036 30 20 DBED C=C(C)CCC(=O)NC[C@]1(O)CCN(C(=O)c2nc[nH]n2)C1 1039987173 OAKGIOZUASAAEM-CQSZACIVSA-N 307.354 -0.146 30 20 DBED C[C@H]1CN(C(=O)C(N)=O)CC[C@H]1CNc1cnc(C#N)cn1 1040441688 KRAFOWGIXAEUHH-UWVGGRQHSA-N 302.338 -0.270 30 20 DBED CCn1nncc1C(=O)N1CC[C@](O)(CNC(=O)[C@H](C)C#N)C1 1040759664 CGQCUOXSQZAQRR-YGRLFVJLSA-N 320.353 -0.849 30 20 DBED C[C@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)c2n[nH]cc2F)C1 1040762154 ZPVQWSXDTSCDEO-OQPBUACISA-N 309.301 -0.598 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)c2cnn3cc[nH]c23)C1 1041956890 ZACVLTYIMGCLBH-UHFFFAOYSA-N 317.349 -0.068 30 20 DBED CN1CC(=O)N(CC(=O)N2CC[C@@H]3CCN(CC#N)[C@H]3C2)C1=O 1042346898 XWRFHHBQZMDQEF-RYUDHWBXSA-N 319.365 -0.673 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)c2ccc(F)cn2)C1 1042697934 QUTVOMOFOIXMCV-SECBINFHSA-N 306.297 -0.317 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)c2cnns2)C1 1042802491 KHKSFRQHQCARTP-UHFFFAOYSA-N 308.363 -0.355 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(O)CN(C(=O)/C=C/C2CC2)C1 1042807506 VAYVWJHQQYZFSS-LQYUOIDQSA-N 308.378 -0.031 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)[C@H]3CCOC3)C2)cn1 1043867564 PWLODDNWOVACND-GDLCADMTSA-N 302.334 -0.345 30 20 DBED Cc1ccc(N2C[C@H](O)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)nn1 1043878263 WIZDBPKQNOQSKT-OLZOCXBDSA-N 312.333 -0.036 30 20 DBED C#CCN1CC[C@@H](N2CCN(C(=O)c3cnnn3C)CC2)C1 1046027036 IOQDLXKVAGYVOC-CYBMUJFWSA-N 302.382 -0.720 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2ncc(OC)cn2)C1 1047452554 POKIBUUUNQFVKW-STQMWFEESA-N 304.350 -0.374 30 20 DBED CN(C(=O)c1c[nH]nc1[C@@H]1CCCO1)[C@H]1CN(CC#N)C[C@@H]1O 1047500830 KJEVMMPTFSXAMZ-AVGNSLFASA-N 319.365 -0.098 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1O 1049388272 IFGWKVLZXHSPRZ-XDTLVQLUSA-N 315.333 -0.310 30 20 DBED C=CCN1CCC2(CC1)CN(C(=O)Cn1ncn(C)c1=O)C2 1050571711 PLBFZPDRALTIOS-UHFFFAOYSA-N 305.382 -0.308 30 20 DBED C=CCN1CCOC[C@H]1CNC(=O)c1c(C)c[nH]c1CC(N)=O 1051126163 CKRVJLIMHSNQFW-GFCCVEGCSA-N 320.393 -0.032 30 20 DBED C[C@H](C#N)C(=O)N1CCOC2(CN(CCN3CCCC3=O)C2)C1 1053187957 UYPBAHJVALWJRV-CYBMUJFWSA-N 320.393 -0.318 30 20 DBED C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1CCNc1cncc(C#N)n1 1053500695 QUQUPHQELUKPEW-NXEZZACHSA-N 302.338 -0.270 30 20 DBED CC(=O)N1CCC[C@@H](C(=O)N[C@H]2COC3(C2)CN(CC#N)C3)C1 1053865255 UYOROUYAASCZQR-ZIAGYGMSSA-N 320.393 -0.272 30 20 DBED Cc1nsc(N2CCN(C(=O)[C@H]3CNC(=O)N3)CC2)c1C#N 1055998449 HHRFTPYIVCQULV-SNVBAGLBSA-N 320.378 -0.347 30 20 DBED N#Cc1cnccc1N1CCN(C(=O)[C@H]2CNC(=O)N2)CC1 1055998606 KFLUUNLKOBKTDT-LLVKDONJSA-N 300.322 -0.717 30 20 DBED CC(C)C#CC(=O)N1CCC[C@](CO)(NC(=O)c2nc[nH]n2)C1 1056045291 CZJOFRBUIMFDBZ-HNNXBMFYSA-N 319.365 -0.453 30 20 DBED Cc1c[nH]nc1C(=O)N1CCC[C@](CO)(NC(=O)[C@H](C)C#N)C1 1056094119 QHSAWQQLFYQSIL-BMIGLBTASA-N 319.365 -0.039 30 20 DBED Cn1cc(CC(=O)N[C@H]2[C@@H]3CN(c4cnc(C#N)cn4)C[C@@H]32)cn1 1056147245 MKPPQXJPYKIACK-VIKVFOODSA-N 323.360 -0.125 30 20 DBED N#Cc1ccc(N2C[C@@H]3C(NC(=O)CN4CCCC4)[C@H]3C2)nn1 1056226886 YRLYSSRQUXITRT-STQMWFEESA-N 312.377 -0.005 30 20 DBED C=C[C@](C)(O)CC(=O)NCCN(CCO)C(=O)c1n[nH]cc1C 1057529486 UZCOBIAKGGMZPK-HNNXBMFYSA-N 324.381 -0.404 30 20 DBED C=CCO[C@H](C)C(=O)N(CCO)CCNC(=O)c1cnon1 1057921424 HLDTYEISWMVDIG-SNVBAGLBSA-N 312.326 -0.789 30 20 DBED C=CCO[C@H](C)C(=O)N(CCO)CCNC(=O)c1ccn(C)n1 1057923158 NOGWPRAWJJLYCN-GFCCVEGCSA-N 324.381 -0.438 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)c1cncnc1O 1057926965 RSNSJXFUHVOHHI-UHFFFAOYSA-N 320.349 -0.608 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)Cn1cncc1C 1058111203 PGAKYHGPLZBGQS-UHFFFAOYSA-N 320.393 -0.068 30 20 DBED N#Cc1nc(=N[C@H]2CCN(C(=O)CCn3cncn3)C2)cc[nH]1 1058831413 UGOWLOUMDLUDSK-NSHDSACASA-N 312.337 -0.535 30 20 DBED N#Cc1cncc(N[C@H]2CCN(C(=O)[C@H]3CNC(=O)N3)C2)n1 1059049403 NMXMWLOTIWKCHA-WCBMZHEXSA-N 301.310 -0.958 30 20 DBED CNC(=O)NCC(=O)NCC[C@@H]1CCN(C(=O)[C@H](C)C#N)C1 1060294111 DIHXGZVUSLFARO-GHMZBOCLSA-N 309.370 -0.570 30 20 DBED CCc1nc(C#N)cc(N(C)[C@@H]2CCCN(C(=O)C(N)=O)C2)n1 1061259842 TVPMLQVMNPYBDH-LLVKDONJSA-N 316.365 -0.177 30 20 DBED Cn1nnc(C(=O)NC[C@H]2CCCN2c2cnc(C#N)cn2)n1 1061428150 OTXSLAKZPMLOOV-SNVBAGLBSA-N 313.325 -0.729 30 20 DBED N#Cc1cnc(N2CC[C@@H](CNC(=O)[C@@H]3CCNC3=O)C2)cn1 1061695657 UMQZZJXLMBRDHB-CMPLNLGQSA-N 314.349 -0.573 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)c1ccnn1C 1061846513 OOWWXNGHZYCQDL-QWRGUYRKSA-N 305.338 -0.463 30 20 DBED CC(=O)NCC(=O)NCC1(NC(=O)c2ccc(C#N)[nH]2)CCC1 1062410070 ARYDNRGHHXCHRS-UHFFFAOYSA-N 317.349 -0.209 30 20 DBED CN(C(=O)c1cnnn1C)[C@@H]1CCN(c2cnc(C#N)cn2)C1 1062928365 HTSOCKFKOXRFTI-LLVKDONJSA-N 312.337 -0.172 30 20 DBED N#Cc1nccc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)[C@@H]2[C@H]3COC[C@H]32)n1 1064323376 STHJTQPGTGFOOW-NCOQKDHUSA-N 311.345 -0.066 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CN(C(=O)Cc2cnn(C)c2)CCO1 1064949304 YQHWWNOBWNRZDH-YPMHNXCESA-N 319.365 -0.534 30 20 DBED CN1CCC[C@H]1C(=O)N1CCO[C@@H](CNC(=O)C#CC2CC2)C1 1064977231 CYQYEEOZXNKAPM-GJZGRUSLSA-N 319.405 -0.162 30 20 DBED C#CCOCCC(=O)N1CCO[C@H](CNC(=O)[C@H]2CCCO2)C1 1065149532 CILDXTHDOHWGQY-ZIAGYGMSSA-N 324.377 -0.451 30 20 DBED C=C[C@@](C)(O)CC(=O)N(C)CCCN(C)C(=O)Cn1cncn1 1067292478 OFXASUNEVBAJRR-OAHLLOKOSA-N 323.397 -0.088 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCCN(C)C(=O)[C@@H]1CCC(=O)NC1 1067748871 GTNPTGGUJHPPIZ-NWDGAFQWSA-N 308.382 -0.021 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC2(CN(C(=O)COC)CCO2)C1 1068275217 MPWNOQZWNHEUHI-LBPRGKRZSA-N 312.366 -0.336 30 20 DBED C=C[C@@H](CC)CC(=O)N1CC2(C1)CN(C(=O)C(N)=O)CCO2 1068448282 JIDCUFAQXXWZAY-NSHDSACASA-N 309.366 -0.486 30 20 DBED C#CCOCCC(=O)N1CC2(CC[C@H](CNC(=O)COC)O2)C1 1068493262 RXBUDYBSOFBJKY-CYBMUJFWSA-N 324.377 -0.451 30 20 DBED C=C(C)C(C)(C)C(=O)N[C@@H]1COC2(C1)CN(C(=O)CC(N)=O)C2 1068943421 IWWQSOPTTTYETI-NSHDSACASA-N 323.393 -0.050 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCCN(C(=O)[C@H](C)NC(N)=O)C1 1070660114 PKLHZKARASMAHZ-NWDGAFQWSA-N 324.381 -0.810 30 20 DBED CC(C)(C)C#CC(=O)N1CCC[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1 1070712224 LUMMZTAKVNXYCG-VXGBXAGGSA-N 320.393 -0.176 30 20 DBED Cc1nn[nH]c1C(=O)N1C[C@H]2C[C@@H]3CN(CC#N)C[C@]2(C1)O3 1070833636 MJVNIWCMHKWNGV-JTNHKYCSSA-N 302.338 -0.448 30 20 DBED CO[C@H](C)C(=O)N1CCC[C@H](N2CCN(CC#N)CC2=O)C1 1071257113 RHUWRMJKGSBQTD-OLZOCXBDSA-N 308.382 -0.320 30 20 DBED Cc1nn[nH]c1C(=O)N[C@H]1CN(C(=O)CSCC#N)C[C@@H]1C 1071657430 DJNJKWCLHHZTGU-WPRPVWTQSA-N 322.394 -0.053 30 20 DBED C=CCOCC(=O)N1C[C@H](C)[C@H](NC(=O)CCn2cncn2)C1 1071807689 BAEYQYLQOKBWHL-QWHCGFSZSA-N 321.381 -0.166 30 20 DBED C#CCN1C[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)CC[C@H]1C 1072054579 GKNZVXCHNKXVEB-NEPJUHHUSA-N 306.366 -0.517 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@H]1C 1072300912 XLILNSBDNDOFKP-VXGBXAGGSA-N 323.393 -0.499 30 20 DBED C[C@@H](c1nnnn1C)N1CCC2(CN(C(=O)[C@H](C)C#N)C2)C1 1072553025 VOGRWZTUNFVNGY-MNOVXSKESA-N 303.370 -0.035 30 20 DBED CC#CCN1CCCO[C@H](CNC(=O)c2cn(C)c(=O)cn2)C1 1073703345 LZHCNHGHYGYUAN-CYBMUJFWSA-N 318.377 -0.376 30 20 DBED C=C(C)CN1CCO[C@@H]2CCN(C(=O)Cn3cnnc3O)C[C@H]21 1074211859 GDWXARCRUNLORS-CHWSQXEVSA-N 321.381 -0.139 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCN(C(=O)COCC)[C@H](C)C1 1074942530 YFESBFPOWQQTDG-CHWSQXEVSA-N 323.393 -0.342 30 20 DBED C#CCOCCC(=O)N1CC[C@H](NC(=O)CC(=O)NC)C[C@@H]1C 1074952307 BHFQUQGQZIDCHP-STQMWFEESA-N 323.393 -0.342 30 20 DBED C[C@@H](CCNC(=O)CS(C)(=O)=O)NC(=O)C#CC1CC1 1075817533 ZUIJZQNRUNRITM-JTQLQIEISA-N 300.380 -0.545 30 20 DBED C[C@@H](CCNC(=O)[C@H](C)C#N)NC(=O)C1CC(=O)NC(=O)C1 1078130592 HHPSGMRSGHZKMJ-BDAKNGLRSA-N 308.338 -0.790 30 20 DBED C=CCOCC(=O)N1CC(N(CC)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1079744246 XZJGBKNBAFWMMB-VXGBXAGGSA-N 311.338 -0.087 30 20 DBED C=CCCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)CNC(C)=O)C1 1081204309 HRVAXKSOPHQHCI-CHWSQXEVSA-N 311.382 -0.586 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1O 1081462948 HZTWKUGLWNSFQN-DGCLKSJQSA-N 319.365 -0.976 30 20 DBED CO[C@@H]1CN(CC(=O)N(C)C)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 1081552328 DRONWNNHWQFOEI-CHWSQXEVSA-N 319.365 -0.596 30 20 DBED C=C(C)C(C)(C)C(=O)NC[C@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1O 1081643376 TYMZXBLIMGEUOD-QWRGUYRKSA-N 321.381 -0.044 30 20 DBED C=CCCCC(=O)NC[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1O 1081705814 VLCDHUQLWQUGNW-VXGBXAGGSA-N 323.393 -0.456 30 20 DBED CCN(C)CCC(=O)NC[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 1081774579 QUKDJLJTBFNZCT-CABCVRRESA-N 321.421 -0.323 30 20 DBED C[C@@H](C#N)C(=O)N1CCCC[C@H]1CNC(=O)Cn1cnnc1O 1082267072 GXFSGERAPGLVEJ-QWRGUYRKSA-N 320.353 -0.359 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H]2CN(Cc3nc(O)n[nH]3)C[C@@H]21 1083026849 PLZMMOJCIJGTPO-KXUCPTDWSA-N 306.326 -0.918 30 20 DBED C=CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H](C)S(C)(=O)=O 1083121195 YQAHPJRSUVASSC-FRRDWIJNSA-N 316.423 -0.093 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CNC(=O)c3ccccc32)C1 1083527102 ASFAAOFCHTWAEF-KFWWJZLASA-N 315.373 -0.139 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)CN2Cc3ccccc3C2=O)C1 1083968032 BJBPRLJYHOPHBG-CABCVRRESA-N 315.373 -0.010 30 20 DBED C#CCN1CC[C@@H]2CCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C[C@@H]21 1085045248 CMNYYLCJOZFEJG-WOPDTQHZSA-N 304.350 -0.860 30 20 DBED Cc1nn[nH]c1C(=O)N1C[C@@H](NCC#N)[C@H](c2cnn(C)c2)C1 1086990635 MZNHDQQKLVJTQM-NWDGAFQWSA-N 314.353 -0.432 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(CC(N)=O)[C@@H]1CC 1087607337 YHDJQEBUIILESO-MJBXVCDLSA-N 306.410 -0.462 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cnc(C)nc2OC)[C@@H](O)C1 1090311002 PDIGVLWLQMLOOY-STQMWFEESA-N 304.350 -0.408 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)c2cnc(O)n(C)c2=O)[C@@H](O)C1 1090487758 ZLDUNWWLCBQMRE-RYUDHWBXSA-N 322.365 -0.773 30 20 DBED N#CCN1CC[C@H](NC(=O)Cn2nnc3c2CCCC3)[C@H](O)C1 1090574719 WLEZVCAKISNRGS-GXTWGEPZSA-N 318.381 -0.768 30 20 DBED N#CCN1CC[C@@H](NC(=O)C2(N3CCOCC3)CCC2)[C@@H](O)C1 1090686835 QCMCZEDTBLKADJ-KGLIPLIRSA-N 322.409 -0.684 30 20 DBED CCO[C@H](C)C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1091066539 WUIABYIEMABJQE-JLLWLGSASA-N 305.338 -0.561 30 20 DBED CCC(=O)NCC(=O)N[C@H]1CCN(c2ccc(C#N)nn2)[C@@H]1C 1091944341 YJAMDNBKUYONSY-PWSUYJOCSA-N 316.365 -0.042 30 20 DBED COCCC(=O)N[C@@H]1CCN(c2ccnc(C#N)n2)C[C@@H]1O 1092132883 YWUSEQCLKAJLHC-MNOVXSKESA-N 305.338 -0.559 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(c2nccnc2F)C[C@H]1O 1092153255 FHCLHXUJKKXQDL-WDEREUQCSA-N 310.329 -0.126 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)C3=COCCO3)c3nccn32)C1 1092345600 OEWFFLSBXXQCDZ-GFCCVEGCSA-N 314.345 -0.024 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1[C@@H]2CN(c3ncnc4c3nnn4C)C[C@@H]21 1093234392 KXRBQHLFELPXRA-AXTSPUMRSA-N 312.337 -0.531 30 20 DBED CN1CC[C@@H](CC(=O)NCCN=c2cc[nH]c(C#N)n2)C1=O 1093961480 ZKVDWXBGDOCVCU-JTQLQIEISA-N 302.338 -0.833 30 20 DBED C[C@H]1C[C@H](C(=O)NCCN=c2cc[nH]c(C#N)n2)CC(=O)N1 1093982435 FPAXPRLRMKLRLS-UWVGGRQHSA-N 302.338 -0.787 30 20 DBED N#Cc1nccnc1NCCCNC(=O)[C@@H]1CCCN1C(N)=O 1094475296 SCBHXORTYAVNHB-NSHDSACASA-N 317.353 -0.190 30 20 DBED N#Cc1cncc(N2CC[C@@H](NC(=O)C(=O)NCC3CC3)C2)n1 1096417862 VXNIJWALPVZJFK-LLVKDONJSA-N 314.349 -0.431 30 20 DBED CNC(=O)NCC(=O)N[C@H]1C[C@@H](Nc2nc(C)cc(C#N)n2)C1 1097259348 SZMVKDYXVCQDMZ-AOOOYVTPSA-N 317.353 -0.355 30 20 DBED C[C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1)N=c1cc[nH]c(C#N)n1 1098269537 LXWBITXYEUKYAM-AXFHLTTASA-N 316.365 -0.412 30 20 DBED CC[C@H](NC(C)=O)C(=O)N1CCC(N(CC#N)CCO)CC1 1098485075 KPMMVMNOWCNTTJ-AWEZNQCLSA-N 310.398 -0.290 30 20 DBED C#CCNCc1cn([C@H]2CCN(C(=O)c3ncn(C)n3)C2)nn1 1098666618 BUTZPEDRXJTEDH-LBPRGKRZSA-N 314.353 -0.783 30 20 DBED C=C(Cl)CN1CC[C@H](NC(=O)CNC(=O)C2CC2)[C@H](O)C1 1099704067 FQVWNNMMRLTNEA-NWDGAFQWSA-N 315.801 -0.184 30 20 DBED C=C(Br)CN1CC[C@@H](NC(=O)CC(N)=O)[C@H](O)C1 1099743189 FXZZGOHMEQXGGE-RKDXNWHRSA-N 320.187 -0.678 30 20 DBED N#CCNC(=O)CN1CC[C@H](NC(=O)/C=C\C2CC2)[C@H](O)C1 1099768585 GFSXRVCOUDWGDF-RSNNXLNZSA-N 306.366 -0.856 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCN(Cc2cnn(C)c2)C[C@H]1O 1099832854 NOQSYGARQZHJHZ-HUUCEWRRSA-N 320.393 -0.489 30 20 DBED C#CCCN1CC[C@H](NC(=O)CCc2ccncn2)[C@@H](O)C1 1099856013 QMGLIXBKYMSODJ-GJZGRUSLSA-N 302.378 -0.016 30 20 DBED C#CCN1CC[C@@H](NC(=O)COCc2cc(C)on2)[C@H](O)C1 1099889711 FFDZLJQEIJVBTG-ZIAGYGMSSA-N 307.350 -0.316 30 20 DBED C#CCCN1CC[C@H](NC(=O)CCc2cncnc2)[C@H](O)C1 1099925901 MMGGASLEEHUYML-LSDHHAIUSA-N 302.378 -0.016 30 20 DBED C=CCCN1CC[C@@H](NC(=O)CCN2CCOCC2)[C@H](O)C1 1100037114 UEZFRXZVRLFJLQ-HUUCEWRRSA-N 311.426 -0.164 30 20 DBED C#CCCN1CC[C@H](NC(=O)CCCn2cncn2)[C@H](O)C1 1100064751 QTIKMWRQTQWEQY-UONOGXRCSA-N 305.382 -0.367 30 20 DBED CN(CCNC(=O)[C@@H]1CC[C@H]1C(N)=O)c1ccnc(C#N)n1 1100268739 HGPPMZRVQVSCKM-NXEZZACHSA-N 302.338 -0.588 30 20 DBED C=CCCNC1CC(CNC(=O)CN2C(=O)CN(C)C2=O)C1 1100954722 QBJIBZIMOCWCJH-UHFFFAOYSA-N 308.382 -0.059 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CN(C(=O)CCCOC)C[C@]2(C)C1 1101145133 JNVNDKIXUZECPK-PBHICJAKSA-N 321.421 -0.057 30 20 DBED CN(CCNc1nccnc1C#N)C(=O)c1c[nH]c(C(N)=O)c1 1101621221 ICEZYIYTESGANC-UHFFFAOYSA-N 313.321 -0.041 30 20 DBED CN(CCNc1cncc(C#N)n1)C(=O)[C@@H]1CCS(=O)(=O)C1 1101849025 RRBOLOVWHRMXOR-SNVBAGLBSA-N 323.378 -0.347 30 20 DBED CC(=O)NCC(=O)N1CC[C@@H](CN(C)c2cnc(C#N)cn2)C1 1102424803 AARNRYOSSGACOP-LBPRGKRZSA-N 316.365 -0.231 30 20 DBED CCc1nc(C#N)cc(N[C@H](CNC(=O)C(N)=O)C(C)C)n1 1105277662 JBURJANQPGJETG-SNVBAGLBSA-N 304.354 -0.051 30 20 DBED Cc1c(C(=O)NC[C@H](O)CNc2nccnc2C#N)cnn1C 1105751379 GVDQMXCVDUUOJA-SNVBAGLBSA-N 315.337 -0.407 30 20 DBED CN1CCO[C@H](C(=O)NC[C@@H](O)CNc2ccc(C#N)nc2)C1 1105768816 ASUAXAVKKMSVFU-KBPBESRZSA-N 319.365 -0.827 30 20 DBED COC[C@@H](C)CC(=O)NC[C@@H](O)CNc1nccnc1C#N 1105941171 RXJYFBUNLGPFHO-WDEREUQCSA-N 307.354 -0.090 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)CN(C)C(=O)COC)C[C@H]1C 1106205912 XPJGGQQAXDQGJK-ZIAGYGMSSA-N 309.410 -0.201 30 20 DBED Cc1cc(C#N)nc(NC/C=C/CNC(=O)Cn2cnnn2)n1 1107027201 KLWWYJLUUCMTOO-NSCUHMNNSA-N 313.325 -0.572 30 20 DBED C#CCN1CC(n2cc(CNC(=O)Cn3nccc3C)nn2)C1 1107215878 PXSJQMKICSYUKV-UHFFFAOYSA-N 313.365 -0.411 30 20 DBED CC#CCN1CCO[C@](C)(CNC(=O)[C@@H]2COCCN2C)C1 1107882744 BLDGKKIPJSCPLS-GOEBONIOSA-N 309.410 -0.453 30 20 DBED C[C@]1(CNC(=O)CNC(=O)N2CCCC2)CN(CC#N)CCO1 1107939675 IHPNPVMHJNBUOT-HNNXBMFYSA-N 323.397 -0.478 30 20 DBED Cn1nccc1COCC(=O)NC[C@@]1(C)CN(CC#N)CCO1 1108018202 CCWGANYJHOIXKS-HNNXBMFYSA-N 321.381 -0.333 30 20 DBED C=CCN1CCO[C@@](C)(CNC(=O)CCn2ncn(C)c2=O)C1 1108096230 NCTOXVIJEZBXMG-HNNXBMFYSA-N 323.397 -0.635 30 20 DBED C[C@H](CN(C)c1nccnc1C#N)NC(=O)[C@H]1CC(=O)N(C)C1 1109296230 UDJAPKVGWYQWRM-MNOVXSKESA-N 316.365 -0.233 30 20 DBED COC[C@H](OC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1109695703 FBFXRVHMIRRNSD-VOAKCMCISA-N 324.381 -0.991 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H](NC(=O)Cn1nccn1)C1CC1 1109912536 HLLTUFKNIJVTQY-AWEZNQCLSA-N 311.349 -0.026 30 20 DBED C#CCNC(=O)CC(=O)N(CCO)CCNc1ccnc(C)n1 1111454843 WWTMCWHLSWULDV-UHFFFAOYSA-N 319.365 -0.843 30 20 DBED N#CCNC(=O)CN1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCOC2)C1 1111634860 LZHZOWYQWNHAPG-XEZPLFJOSA-N 320.393 -0.367 30 20 DBED COCC#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCNC2=O)C1 1111829879 YKFPQHPQWMGOHE-VBQJREDUSA-N 319.405 -0.257 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CCCN(c2ccc(C#N)nn2)CC1 1111982786 AIJHICUZJYCUNT-LLVKDONJSA-N 316.365 -0.041 30 20 DBED CN(C)CCC(=O)NC[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1O 1112754938 JATJPFGFQVPTFZ-DGCLKSJQSA-N 318.381 -0.787 30 20 DBED C[C@H](NC(=O)CS(C)(=O)=O)[C@@H](C)Nc1nccnc1C#N 1112926270 QXMXNVUXNTYZQD-DTWKUNHWSA-N 311.367 -0.302 30 20 DBED Cc1ccoc1CC(=O)N1CCN(CC(=O)NCC#N)CC1 1113324353 HRXXBXQFXOFUPX-UHFFFAOYSA-N 304.350 -0.086 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)C3CCOCC3)[C@H]2C1 1113769725 LVNJQMAPHUAETN-UBHSHLNASA-N 319.405 -0.403 30 20 DBED C=CCOCCN1C[C@H]2C(NC(=O)CNC(=O)C3CC3)[C@@H]2C1 1113940615 VYNDTBBTQOJZFI-CHWSQXEVSA-N 307.394 -0.238 30 20 DBED C#CCOCCC(=O)N[C@H]1[C@@H]2CN([C@H](C)C(=O)N(C)C)C[C@@H]21 1114268587 OKMQORWSWUFPRD-CXTNEJHOSA-N 307.394 -0.451 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)Cc3cn(C)nc3C)[C@@H]2C1 1114414435 UFIYJJDEABKJNP-HUUCEWRRSA-N 316.405 -0.033 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)[C@H]2C1 1114859357 PHTJKALNVRCKPI-UNVMTRKTSA-N 317.389 -0.650 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)CCc3cn[nH]c3)[C@H]2C1 1114954776 WOIYHNUYXYRXPL-VIKVFOODSA-N 315.377 -0.862 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)Cc3ccco3)[C@H]2C1 1114994627 PRUCAEWDJLSMGQ-STQMWFEESA-N 301.346 -0.382 30 20 DBED C=CCCCN1C[C@H]2C(NC(=O)Cn3c(O)nnc3O)[C@@H]2C1 1115172006 KEIJGGZEJUBNFE-NXEZZACHSA-N 307.354 -0.298 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)CNC(=O)C(C)(C)C)[C@@H]2C1 1115231294 FYEDQVNDRKREJO-CHWSQXEVSA-N 321.421 -0.155 30 20 DBED O=C1C=CC=N/C1=C(\O)NCCNS(=O)(=O)CCCF 1116177877 WWTGQWNJJZDPMR-KHPPLWFESA-N 305.331 -0.208 30 20 DBED C[C@@H]1CCN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)[C@H]1CO 1118986316 ITVHGJVOUZTRDE-BNOWGMLFSA-N 320.393 -0.586 30 20 DBED COC[C@@H](C)CC(=O)NC[C@@H](CO)Nc1cncc(C#N)n1 1121985349 QTZABRFVOJNFSC-JQWIXIFHSA-N 307.354 -0.090 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H](CO)Nc1nccnc1F 1122769378 ITMWGORFINOWKX-NEPJUHHUSA-N 321.356 -0.398 30 20 DBED C[C@@H]1C[C@@H](Nc2cnc(C#N)cn2)CN1C(=O)CNC(N)=O 1123147078 PFQNSOCILAIOBJ-RKDXNWHRSA-N 303.326 -0.582 30 20 DBED C[C@@H]1[C@H](NC(=O)CC(N)=O)CCCN1c1cncc(C#N)n1 1123522698 MBKBNJJVXCMKIH-MWLCHTKSSA-N 302.338 -0.303 30 20 DBED N#Cc1cncc(NC[C@@H]2CC[C@H](NC(=O)CC(N)=O)C2)n1 1123754268 UOLATPGCXFDXLV-ZJUUUORDSA-N 302.338 -0.080 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]cc1C#N)C(=O)c1ncn(C)n1 1124295961 QPZFXLNJYPHZDK-LLVKDONJSA-N 315.337 -0.951 30 20 DBED CC[C@H](C(=O)N(C)C[C@@H](O)CNc1ccc(C#N)nn1)N(C)C 1124454386 KKJIMJZVBNEAOO-QWHCGFSZSA-N 320.397 -0.080 30 20 DBED COCC(=O)N(C)C[C@H](O)CN(C)c1nc(C)cc(C#N)n1 1124925160 LCWLZSGUWCTNJR-LBPRGKRZSA-N 307.354 -0.441 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)c1cc(C#N)c[nH]1 1125391053 PPNSTBJZCMYZHB-UHFFFAOYSA-N 318.337 -0.782 30 20 DBED C#CCO[C@H](C)C(=O)NCCNCC1CCS(=O)(=O)CC1 1127046322 PUTUNLPCOSINAK-GFCCVEGCSA-N 316.423 -0.445 30 20 DBED COCC(=O)N[C@H](C)C(=O)NCCNCc1ccccc1C#N 1127972709 CAIFIKMCQCVXDZ-GFCCVEGCSA-N 318.377 -0.085 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1ccnn1C(F)F 1128242011 IQADXUCYWMVUJN-SECBINFHSA-N 313.308 -0.265 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)CCCC(N)=O)C1 1129484941 QIDKSDIUYREEGM-NEPJUHHUSA-N 306.370 -0.539 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@@H](NCCO)[C@H](c2cn(C)cn2)C1 1130592821 GEBOIJBYGDNCSH-KCQAQPDRSA-N 320.393 -0.665 30 20 DBED C#CCNC(=O)CN1C[C@H](NC(=O)CC(C)(C)O)CC[C@@H]1C 1132009606 NOLCAVGCKZBKPB-QWHCGFSZSA-N 309.410 -0.134 30 20 DBED C#CCCN1C[C@H](NC(=O)CCn2ncn(C)c2=O)CC[C@@H]1C 1132199293 HHBJIOHZJQVEPW-UONOGXRCSA-N 319.409 -0.036 30 20 DBED C[C@H]1CC[C@@H](NC(=O)c2cccnn2)CN1CC(=O)NCC#N 1132369411 WZAFPYBSZZGDJE-NWDGAFQWSA-N 316.365 -0.301 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)Cc1cncnc1 1134218278 BJBGPWUGPKNVLM-STQMWFEESA-N 317.393 -0.359 30 20 DBED COc1nc(C)ccc1C(=O)NCCNCC(=O)NCC#N 1134878234 UEHBLZMSBJIBNG-UHFFFAOYSA-N 305.338 -0.642 30 20 DBED C=C(C)CN(CC)C(=O)CN[C@@H](C)C[C@H](C)NC(=O)C(N)=O 1135341093 YDZGCJFMCJUNIB-RYUDHWBXSA-N 312.414 -0.231 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)c2cn(CC)nn2)C1=O 1135994463 VMCHVQOMPKSGCD-LLVKDONJSA-N 306.370 -0.596 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)c1ccc(OC)nn1 1146678702 RAWPGBISOWSWOS-JTQLQIEISA-N 307.354 -0.505 30 20 DBED COCC#CCN1CCC2(C1)CN(C(=O)[C@H]1CCC(=O)N1C)C2 1148126249 UTBPSJYKKKDPJO-CQSZACIVSA-N 319.405 -0.209 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H](C)N(CC)C[C@@H](O)COC 1153306631 NIVHIDOTAYPPIQ-HZSPNIEDSA-N 300.399 -0.141 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)Cc1cccnc1 1156609461 VLPXBLSLRRDNBJ-ZDUSSCGKSA-N 302.378 -0.142 30 20 DBED CC1(C)NC(=O)N(CCNCCCNC(=O)C#CC2CC2)C1=O 1157711446 QBMVSKQZAHEPAC-UHFFFAOYSA-N 320.393 -0.174 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NCCCNCc1nnn(C)n1 1158313862 QSGGAFMODQFUDH-NEPJUHHUSA-N 308.386 -0.213 30 20 DBED N#CCNC(=O)CNCCCNC(=O)c1cncc2[nH]ccc12 1161825663 DNCWMZQPCAHGJX-UHFFFAOYSA-N 314.349 -0.088 30 20 DBED C#CCN1CC=C(CCNC(=O)[C@H]2CCS(=O)(=O)N2)CC1 1161889488 WSPGUVPTSAGDBT-CYBMUJFWSA-N 311.407 -0.550 30 20 DBED C=CCOCCNCCCNC(=O)Cn1ccc(O)nc1=O 1161968880 CZHZJFVWMUMIEM-UHFFFAOYSA-N 310.354 -0.753 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCC1(CN[C@H](C)C(N)=O)CC1 1165545853 RVPOQSCNEOTDCX-KGLIPLIRSA-N 320.437 -0.166 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)c1cc(COC)on1 1167751225 SVNKELLFAUDXBE-NSHDSACASA-N 322.365 -0.332 30 20 DBED C[C@@H](CCCCNCC#N)NC(=O)[C@@H]1CCN(C)S1(=O)=O 1175645958 WXIYTLHZRAMDKE-RYUDHWBXSA-N 316.427 -0.192 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)Cn2ccnc2)C1=O 1177405618 PYUPVZANCFZZEL-ZDUSSCGKSA-N 305.382 -0.234 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)C2CCOCC2)[C@H]1C 1178019229 IXCYBGPMOZZIRJ-JSGCOSHPSA-N 307.394 -0.259 30 20 DBED C[C@H]1[C@@H](NCC(=O)NC(N)=O)CCN1C(=O)c1cc(C#N)c[nH]1 1178422678 XOLPBOXAWOIUSX-WPRPVWTQSA-N 318.337 -0.726 30 20 DBED CNS(=O)(=O)CCC(=O)NCCCCCCNCC#N 1178471649 HCVHNBLGTACPSS-UHFFFAOYSA-N 304.416 -0.285 30 20 DBED CNC(=O)NCCC(=O)N1CC[C@H](NCC#CCOC)[C@@H]1C 1178632519 SGOXHKPYYWQCCF-STQMWFEESA-N 310.398 -0.466 30 20 DBED Cc1ncsc1C(=O)N1CC[C@@H](NCC(=O)NCC#N)C1 1181153806 IEWQRFFIVMJPKT-SNVBAGLBSA-N 307.379 -0.105 30 20 DBED C=CCNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)COCC=C)C1 1181644206 HWQLHQZUOUNSJM-GFCCVEGCSA-N 324.381 -0.609 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2[nH]nnc2C)C1 1184784823 NOGVHXGWDBCCQG-WDEREUQCSA-N 306.370 -0.392 30 20 DBED C#CCCNCc1cn([C@H]2CCCN(C(=O)CC(N)=O)C2)nn1 1185900638 WNJOSHPKBHOCGB-ZDUSSCGKSA-N 318.381 -0.570 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)C2(C(=O)NC)CCC2)C1 1187298968 UOULMCBPAJKCTP-GFCCVEGCSA-N 322.409 -0.605 30 20 DBED C=CCCCN(C)[C@H]1CCN(C(=O)CNC(=O)CNC(C)=O)C1 1190988830 JMANTQCQIKNIQG-AWEZNQCLSA-N 324.425 -0.262 30 20 DBED CC(C)c1n[nH]c(CN2C[C@@H](O)[C@H](NC(=O)[C@H](C)C#N)C2)n1 1191855117 WLCCTQGFENZWFY-GMTAPVOTSA-N 306.370 -0.251 30 20 DBED C=CCCCN1C[C@@H](O)[C@H](NC(=O)CCS(=O)(=O)NC)C1 1192931327 HVPMNLLMCBITAQ-VXGBXAGGSA-N 319.427 -0.947 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)C)C1 1195171812 CALQMFDSKMONAR-JHJVBQTASA-N 309.410 -0.278 30 20 DBED C#CCO[C@H](C)C(=O)N1CCCN([C@H]2CCC(=O)NC2=O)CC1 1195791360 ATAAVJWDHJUICY-OLZOCXBDSA-N 321.377 -0.636 30 20 DBED C[C@H](COCC(=O)N[C@@H]1CN(CC#N)C[C@H]1O)N1CCCC1 1196298752 BEMGIHWJGKAQID-MGPQQGTHSA-N 310.398 -0.828 30 20 DBED C[C@H]1CCN(CC(=O)N2CCCN(CC(=O)NCC#N)CC2)C1 1197150122 LQLFMKFRXAZQQJ-AWEZNQCLSA-N 321.425 -0.498 30 20 DBED N#CCNC(=O)CNC[C@H]1CN(C(=O)c2cnco2)CCCO1 1201097380 QBSBSGBRHVUWSE-NSHDSACASA-N 321.337 -0.865 30 20 DBED C#Cc1cncc(C(=O)N2CCCO[C@H](CNCCO)C2)c1 1201382916 YYFZOFUTALEZOI-OAHLLOKOSA-N 303.362 -0.124 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCC(NCC(=O)NCC#N)CC1 1204028995 SNCBJKVUZYDJLM-LBPRGKRZSA-N 308.382 -0.202 30 20 DBED N#CCN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)CCCS(N)(=O)=O)C2 1204677202 XKFOPUGDMQKVAK-IJLUTSLNSA-N 314.411 -0.452 30 20 DBED COCC#CCNCC1CCN(C(=O)[C@H]2CCNC(=O)C2)CC1 1204956222 KCNOOWYUESKMSA-HNNXBMFYSA-N 321.421 -0.009 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)c2nccnc2N)C1 1207705225 KUFRQFBVINHNFH-NSHDSACASA-N 318.381 -0.445 30 20 DBED C=CCN[C@@H]1CCCN(C(=O)[C@@H](CCC(N)=O)NC(C)=O)C1 1210155021 PYCZFEIAGGCGHV-CHWSQXEVSA-N 310.398 -0.477 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2cn(C)nn2)C[C@H]1OC 1212258749 ZMZCDAAWYXAQTJ-MRVWCRGKSA-N 321.381 -0.831 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)c2nccnc2N)C[C@H]1C 1214361184 IMRDKFGOBZCXSN-GHMZBOCLSA-N 318.381 -0.589 30 20 DBED C#CCOCCC(=O)N1C[C@@H](N[C@@H]2CCC(=O)NC2=O)[C@H](C)C1 1214608642 CVTUXKHGFNLHGP-JHJVBQTASA-N 321.377 -0.732 30 20 DBED C=CCCCN[C@@H]1CN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C[C@H]1C 1215693327 IJSAWDSYKLMFLO-GRYCIOLGSA-N 308.382 -0.013 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2[nH]cnc2C)C[C@H]1C 1217100403 ZDIROQJEGWRTBI-KGYLQXTDSA-N 317.393 -0.094 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCO[C@@H]2CN(CC#CCOC)C[C@@H]21 1217762118 AGBCEFKHHPXXNO-UXLLHSPISA-N 322.405 -0.125 30 20 DBED CCN(C)C(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)C#CC1CC1 1217834149 DTGMSUUICYKWEK-LSDHHAIUSA-N 319.405 -0.210 30 20 DBED C#CCOCCC(=O)N1CCO[C@@H]2CN(CC(=O)NCC)C[C@@H]21 1217875219 GSOJWPPVLSJFBP-UONOGXRCSA-N 323.393 -0.926 30 20 DBED N#CCSCC(=O)N[C@@H]1CN(Cc2ncccn2)C[C@@H]1O 1219219550 BLVHGMVUJVJLLS-MNOVXSKESA-N 307.379 -0.605 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)CCn2ccccc2=O)C1 1219744794 RMYPBQMCQWNLIN-KGLIPLIRSA-N 305.378 -0.024 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)CCn2c(C)csc2=O)C1 1219806596 DLEPSFHQNGVDJO-OLZOCXBDSA-N 323.418 -0.207 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)CCCC2CC2)C1 1220196477 SHLDDVYMPKJVOC-CFVMTHIKSA-N 321.421 -0.134 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C(C)(C)C2CC2)C1 1220198924 CVOVCUNRKJVSJG-OLZOCXBDSA-N 309.410 -0.114 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)C2(S(C)(=O)=O)CCC2)C1 1220654811 KGYIFYVIHHVPCJ-MNOVXSKESA-N 302.396 -0.699 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC[C@H]1CN(C)C(=O)CNC(C)=O 1230646446 OMABRBXVCYEEMV-YPMHNXCESA-N 310.398 -0.654 30 20 DBED Cc1cnn(CC(=O)N(C)C[C@H]2CCN2CC(=O)NCC#N)c1 1230975464 GTVPFSUZANMCRF-CYBMUJFWSA-N 318.381 -0.636 30 20 DBED C=CCNC(=O)[C@@H](C)N(C)CCCNC(=O)CCn1cncn1 1234035920 UNBCWRVTYGKOLL-CYBMUJFWSA-N 322.413 -0.203 30 20 DBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)c1cnn(C)c1 1254160564 SNDNFPOEWJXJEU-UHFFFAOYSA-N 315.337 -0.129 30 20 DBED C=C(C)CN1CCC(NC(=O)C(=O)N[C@@H]2CC(=O)N(C)C2)CC1 1258267068 PMTOAYZKLZXCBY-CYBMUJFWSA-N 322.409 -0.510 30 20 DBED N#C[C@H](C(=O)Cc1ccoc1)C(=O)N1CCS(=O)(=O)CC1 1263292320 BYOJCMYPDOIIJA-LLVKDONJSA-N 310.331 -0.212 30 20 DBED N#CC1(NC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 1321864301 NFIQREINXWVBQB-SECBINFHSA-N 324.362 -0.676 30 20 DBED C#CCC[C@@H](O)CNC(=O)NCC1CCS(=O)(=O)CC1 1322566193 YQXCCCPYQGZWRZ-GFCCVEGCSA-N 302.396 -0.115 30 20 DBED CC(C)(O)CN(C(=O)C(=O)NC1CCN(CC#N)CC1)C1CC1 1322825864 ZOBPTPGBSAEFCQ-UHFFFAOYSA-N 322.409 -0.148 30 20 DBED C#CCCCCNC(=O)C(=O)NCCC(=O)N1CCN(C)CC1 1325552684 RKYQFXXMLXFVTB-UHFFFAOYSA-N 322.409 -0.814 30 20 DBED C=CCn1cc(CNC(=O)NC[C@@H](O)c2cnn(C)c2)nn1 1325934583 XIYTVIWQOAKPSC-GFCCVEGCSA-N 305.342 -0.270 30 20 DBED C[C@@]1(C#N)CCCN(C(=O)C(=O)N2CCC(O)(CO)CC2)C1 1327360813 FPRKAWCUSCPBAO-AWEZNQCLSA-N 309.366 -0.516 30 20 DBED C=CC[C@@H]1CCCN(C(=O)C(=O)NCC(=O)N2CCOCC2)C1 1327976745 QNGBWMQTWNNVRL-CYBMUJFWSA-N 323.393 -0.224 30 20 DBED C#CC[C@H](CO)NC(=O)COCC(=O)NCc1cccnc1 1328394664 JFCURYXWWAITGW-CYBMUJFWSA-N 305.334 -0.785 30 20 DBED C[C@@H](CCO)N(C)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1328644466 ZQGHSTBTZVOWNE-ZFEMDRMUSA-N 310.354 -0.075 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@@H]1CCO[C@@H](C)C1 1329082996 TUOBUWWWKWQVAO-WDEREUQCSA-N 318.395 -0.613 30 20 DBED CCN1CCCN(C(=O)C(=O)N2CCC[C@H](C#N)C2)CC1=O 1335010073 WJWLPIGCJVFGJM-GFCCVEGCSA-N 306.366 -0.171 30 20 DBED C#CCCn1nnnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1335699103 FCMBKMLQKPYIKC-GFCCVEGCSA-N 304.354 -0.476 30 20 DBED CCN1CCN(C(=O)C(=O)N2CCC[C@@](C)(C#N)C2)CC1=O 1348287915 HNFHWRUQQUAMSN-HNNXBMFYSA-N 306.366 -0.171 30 20 DBED COC(=O)[C@]1(NC(=O)C#Cc2ccc3c(c2)OCO3)C[C@@H](O)C1 1349021057 KEDGXQCYYXUTOJ-AITUWYQGSA-N 317.297 -0.051 30 20 DBED C=CCN(C(=O)C(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1C)C(C)C 1353840267 QOODGJHONTXXCJ-WDEREUQCSA-N 302.396 -0.041 30 20 DBED CCN(C[C@@H](C)C#N)C(=O)CN1CC[C@H](CS(N)(=O)=O)C1 1363318070 ASJDIAUAPZOIPU-RYUDHWBXSA-N 316.427 -0.395 30 20 DBED N#CC1(CS(=O)(=O)N2CCCC[C@H]2CS(N)(=O)=O)CC1 1364021958 FHVARSFIUWLWKK-JTQLQIEISA-N 321.424 -0.237 30 20 DBED N#Cc1ncn(CCNC(=O)NC[C@H]2CC(=O)N(C3CC3)C2)n1 1364579615 VRPZRQOMYLCUFV-SNVBAGLBSA-N 317.353 -0.540 30 20 DBED CN(C)CC1(O)CCN(S(=O)(=O)N(C)CCC#N)CC1 1365740129 RPFOODIOHDAHKF-UHFFFAOYSA-N 304.416 -0.535 30 20 DBED C=C(Cl)CN[C@@H](C)CN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 1379239085 ZPCYUBJCLLGVLX-IUCAKERBSA-N 302.762 -0.227 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CCCN1C(=O)CCS(C)(=O)=O 1391088924 LYZSQBMKBJWPAG-WDEREUQCSA-N 315.395 -0.312 30 20 DBED CNC(=O)c1cccc(CNC[C@@H](O)CNC(=O)[C@@H](C)C#N)c1 1392368675 WJFSWJZCRVWTPH-SMDDNHRTSA-N 318.377 -0.227 30 20 DBED C[C@@H](CNC(=O)c1ccc(C(N)=O)nc1)NC(=O)[C@@H](C)C#N 1408220951 CHWDXOJYWQUOBY-IUCAKERBSA-N 303.322 -0.425 30 20 DBED C[C@H](CNC(=O)[C@H](C)C#N)NC(=O)Cn1cc(C2CC2)nn1 1408307863 LMDDZKYQMFYFCH-NXEZZACHSA-N 304.354 -0.064 30 20 DBED COCC(=O)N(C)CC(=O)N(C)C[C@@H](C)NC(=O)[C@@H](C)C#N 1412555713 FSKBYRVQTYORQD-WDEREUQCSA-N 312.370 -0.786 30 20 DBED N#Cc1cn(CCNC(=O)c2ccccc2O)c(=O)nc1O 1413310092 MQFWUOSAWZHACX-UHFFFAOYSA-N 300.274 -0.044 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H]1CNC(=O)CN1CCOCC1 1415748980 ORHXFAIJNDSRNY-QWHCGFSZSA-N 308.382 -0.415 30 20 DBED C[C@H]1CN(C)CC[C@H]1N(C)C(=O)Cn1cc(C#N)c(O)nc1=O 1417650661 QGXJTDUPDPMFSK-CMPLNLGQSA-N 319.365 -0.381 30 20 DBED Cc1nc(C#N)c(C#N)n1CC(=O)N[C@H]1CCS(=O)(=O)C1 1421366392 PTZWNYLJFVZXKG-VIFPVBQESA-N 307.335 -0.762 30 20 DBED C[C@H](C[C@@H]1CCOC1)NC(=O)Cn1cc(C#N)c(O)nc1=O 1433808453 QYWZNCPBVCBEQT-ZJUUUORDSA-N 306.322 -0.248 30 20 DBED CNC(=O)NCC(=O)NC[C@@]1(C)CCCN(C(=O)[C@@H](C)C#N)C1 1434311510 SPPAYLXVCKGMEI-XHDPSFHLSA-N 323.397 -0.180 30 20 DBED COC[C@H](O)CN[C@@H](CNC(=O)c1cc(C#N)c[nH]1)C1CC1 1436784845 VXTBSNWMGHBHIM-OCCSQVGLSA-N 306.366 -0.008 30 20 DBED CC(=O)N(C)CC(=O)N1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 1446510874 XTHVCOIINUVPBU-GFCCVEGCSA-N 317.349 -0.305 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CN(C)C(=O)c1ccc(=O)n(C)c1 1451892770 RSORSWKNSLGFQH-PWSUYJOCSA-N 320.349 -0.906 30 20 DBED CCN(CCNC(=O)[C@H](C)CS(C)(=O)=O)C(=O)[C@@H](C)C#N 1455599506 SDMWIAHVEIFRRR-WDEREUQCSA-N 317.411 -0.209 30 20 DBED CNC(=O)Cn1cc(NC(=O)[C@H](C)n2cnc(C#N)n2)cn1 1464312729 QMUCPPDWTVCWDX-QMMMGPOBSA-N 302.298 -0.708 30 20 DBED C[C@@H](CNC(=O)CN(C)S(C)(=O)=O)N(C)C(=O)[C@H](C)C#N 1486894294 JZQAEPOXZUNDMO-ZJUUUORDSA-N 318.399 -0.999 30 20 DBED C[C@H](NC[C@H](O)CNC(=O)c1cc(C#N)c[nH]1)c1nncn1C 1496963044 ZPRRWWCLVHRYIJ-ONGXEEELSA-N 317.353 -0.544 30 20 DBED C[C@H](C#N)C(=O)NCCN(C(=O)CNC(=O)C1CC1)C1CC1 1497541783 ARGATSBXAHPJFG-SNVBAGLBSA-N 306.366 -0.221 30 20 DBED CCCNC(=O)CN1CC(N2CCN(C(=O)[C@@H](C)C#N)CC2)C1 1502840721 VDZODAGTEKLPTP-ZDUSSCGKSA-N 321.425 -0.499 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CC[C@H](NC(=O)C2(NC(N)=O)CC2)CC1 1531893088 ANRAUQUDKNJFQL-DCAQKATOSA-N 321.381 -0.109 30 20 DBED CCn1ncc(C(=O)NC[C@@H](O)CNC(=O)[C@@H](C)C#N)c1C 1533312281 DZJOANMMHZTSLM-ONGXEEELSA-N 307.354 -0.422 30 20 DBED CN(CCC#N)C(=O)CCN1CCC[C@H](C(=O)NCCN)C1 1578461010 FHSOTCIOMXXLMP-ZDUSSCGKSA-N 309.414 -0.465 30 20 DBED N#Cc1ccnc(C(=O)NCC[C@H]2CNCCS2(=O)=O)c1 1580080076 LHZZZPSIYZHROC-NSHDSACASA-N 308.363 -0.540 30 20 DBED C#C[C@H](NC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O)[C@H]1CCCO1 1588374257 SFOGTCCNHYQPOJ-XWLWVQCSSA-N 311.338 -0.556 30 20 DBED C#CC[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)c[nH]1)C(=O)O 1588414585 WHQJUGFGRZKJPN-VIFPVBQESA-N 313.335 -0.529 30 20 DBED C=CC1(S(=O)(=O)NC(=O)c2cc(-c3nn[nH]n3)cn2C)CC1 1588527408 JEIJGMTVFFGNPO-UHFFFAOYSA-N 322.350 -0.017 30 20 DBED C=CCN(C(=O)C(=O)N1C[C@@H](C(=O)OC)[C@@H](C(=O)O)C1)C1CC1 1588820071 PEPVTIWZLLUFCV-WDEREUQCSA-N 324.333 -0.504 30 20 DBED CN1CCN(C(=O)Cn2cc(C(=O)O)cc(C#N)c2=O)CC1 1598607548 PRTLAYNNKQEGQZ-UHFFFAOYSA-N 304.306 -0.808 30 20 DBED C=CCN1CC[C@H](N2CCN([C@]3(C(=O)O)CCOC3)CC2)C1=O 1602898365 QCJUBKVYRFEAHN-XJKSGUPXSA-N 323.393 -0.365 30 20 DBED C[C@H](C#N)C(=O)NC/C=C/CNc1cnc(-c2nn[nH]n2)cn1 1602982964 CKBHHLWESVNEMS-GKQMSVHHSA-N 313.325 -0.099 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)[C@H]2C[C@@H]2C(=O)O)C1 1603700178 NRNMTZKDPVLBLN-QWRGUYRKSA-N 308.334 -0.944 30 20 DBED C[C@@H]1CN(S(=O)(=O)N2CCO[C@@H](C#N)C2)C[C@H]1CC(=O)O 1607438812 VXEGJYLDBYJXGV-MXWKQRLJSA-N 317.367 -0.502 30 20 DBED CN(CC(=O)NCC#N)[C@@H]1CCCN(C(=O)c2cn[nH]c2)C1 1752988176 ZPKZVKBFDQUJMD-GFCCVEGCSA-N 304.354 -0.414 30 20 DBED COCC#CCN1CCC[C@@H]1CNC(=O)CCn1ccnn1 1753106329 WKSIDDPXFLUDSA-CQSZACIVSA-N 305.382 -0.101 30 20 DBED COCC#CCNC[C@@H](C)CNC(=O)CS(=O)(=O)C(C)C 1753642296 AZFQVSWDFBKOJR-CYBMUJFWSA-N 318.439 -0.199 30 20 DBED C#CCNC(=O)CN1CCO[C@H](CNC(=O)/C=C(/C)CC)C1 1753650759 ZBNQXLICUHPADP-RNQWEJQRSA-N 307.394 -0.091 30 20 DBED C=CCn1cc(C(=O)N(C)CCN(C)Cc2cnnn2C)nn1 1753865606 XQWDGUKVOVTCNO-UHFFFAOYSA-N 318.385 -0.203 30 20 DBED COCC#CCNC[C@H](O)CNC(=O)[C@@H]1Cc2ccccc2O1 1753917345 DFDDARSGVGDSSI-HOCLYGCPSA-N 318.373 -0.293 30 20 DBED C#CCCNC[C@H](O)CNC(=O)c1cccc(NC(N)=O)c1 1753935330 IZRUTHBRUZLEQL-ZDUSSCGKSA-N 304.350 -0.119 30 20 DBED C#CCCNC[C@@H](O)CNC(=O)[C@H]1CCc2nnc(C)n2C1 1753937545 PIERRNRPYCJWIQ-QWHCGFSZSA-N 305.382 -0.761 30 20 DBED C#CCNC(=O)CNC/C=C\CNC(=O)c1cnn(C)c1C 1754106295 AUXZAFGWSDSCAN-WAYWQWQTSA-N 303.366 -0.646 30 20 DBED N#CCNC(=O)CNC/C=C/CNC(=O)C[C@H]1CCCOC1 1754207162 NQUJRDSOYPVIQO-ZIYVKSGCSA-N 308.382 -0.295 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H](C)CNCc1nnnn1C1CC1 1754267625 QLHBIBQLDNYZFX-QWRGUYRKSA-N 306.370 -0.359 30 20 DBED C=CCN1CC[C@H](N2CC[C@](O)(CNC(=O)C3CC3)C2)C1=O 1754745127 UNVPAAVFKIFZIX-BBRMVZONSA-N 307.394 -0.264 30 20 DBED C#CCNC1CCN(CCNC(=O)Cn2ccccc2=O)CC1 1754849759 FNIVSWKJLIIVLR-UHFFFAOYSA-N 316.405 -0.348 30 20 DBED C#CCNCCN(CCO)C(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1 1754884108 SXXKGIVBKHYDSR-CYBMUJFWSA-N 309.410 -0.323 30 20 DBED CC(C)(C)N1C[C@@H](C(=O)N2CCO[C@H](CNCC#N)C2)CC1=O 1754999913 FVSIUGLHWKSFHB-QWHCGFSZSA-N 322.409 -0.026 30 20 DBED C#CCNC(=O)CN1CCN(CCCCCNC(C)=O)CC1 1755173377 TYHWRKPLVDVASJ-UHFFFAOYSA-N 308.426 -0.340 30 20 DBED CCS(=O)(=O)NCCN[C@H](C)[C@H](C)NC(=O)C#CC1CC1 1755252213 IOCVQBIEAIATCG-NEPJUHHUSA-N 315.439 -0.178 30 20 DBED C=CCCN1C[C@H]2[C@H](CNC(=O)C[C@@H]3CC(=O)NC3=O)[C@H]2C1 1755439272 NCAPRMJBRGMARX-LPWJVIDDSA-N 305.378 -0.091 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H](CO)CNC(=O)C1CCC(=C)CC1 1755637748 GIBUSRYICYRFKF-HIFRSBDPSA-N 321.421 -0.063 30 20 DBED C#CCCN[C@@H](CO)CNC(=O)c1ccnc(-n2cncn2)c1 1755649273 RCDYHLGCUATFRF-CYBMUJFWSA-N 314.349 -0.634 30 20 DBED COCC#CCN(C)C[C@H](O)CN(C)C(=O)c1c(C)cnn1C 1755805663 YUIXUNQDKUYAOD-AWEZNQCLSA-N 322.409 -0.257 30 20 DBED C=CC(C)(C)C(=O)N[C@H](CO)CNC(=O)[C@H]1CCCC(=O)N1 1756528749 UMCKMSGGIPJVAO-WDEREUQCSA-N 311.382 -0.539 30 20 DBED C=C(C)CCC(=O)N[C@H](CO)CNC(=O)c1coc(C(N)=O)c1 1756534839 ATXRRHCEFKSUAF-NSHDSACASA-N 323.349 -0.058 30 20 DBED C=CCOCC(=O)NC[C@H](O)CN(C)C(=O)[C@@H]1CCN(C)C1 1756664081 YPMPAVYSWQNPEJ-OLZOCXBDSA-N 313.398 -0.924 30 20 DBED C=C(C)CCC(=O)N(C)C[C@H](O)CNC(=O)CC(=O)N(C)C 1756665592 LDUGVKGXNUHEEZ-GFCCVEGCSA-N 313.398 -0.244 30 20 DBED C#CCCCCC(=O)NC1CC(N(C)C(=O)[C@@H]2CNC(=O)N2)C1 1756747813 KJNQTBJBGDVXMV-BPCQOVAHSA-N 320.393 -0.033 30 20 DBED C=CCO[C@@H](C)C(=O)N1C[C@@H](NC(=O)c2cn(C)nn2)[C@H](C)C1 1757067106 KRZSIYUQRIPOMV-GRYCIOLGSA-N 321.381 -0.017 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)C[C@H]1C 1757093381 BZRGWWSJKQOFRS-OUAUKWLOSA-N 308.382 -0.157 30 20 DBED C#CCNC(=O)CNS(=O)(=O)c1ccc(C)c(C(=O)O)c1 1776135026 DNZVMGXPUDFZDL-UHFFFAOYSA-N 310.331 -0.279 30 20 DBED C=CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CNC(=O)O1)CCO2 1783915928 SVJGOQBOSCBABF-XHDPSFHLSA-N 323.349 -0.499 30 20 DBED N#CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3C[C@@H](O)C3)C[C@@H]21 1786367643 VFMGSUJVYBAHAX-HPCHECBXSA-N 321.377 -0.349 30 20 DBED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3C=CCN3)[C@H]2C1 1787403453 IGGOCFNSLXZISS-XUXIUFHCSA-N 303.362 -0.873 30 20 DBED C=CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(O)[nH]1)C2 1800999786 WIQXIUTYLQKWJW-DDFAGTSDSA-N 320.349 -0.105 30 20 DBED CCN(C[C@@H](C)C#N)C(=O)CN1CCN(C(=O)COC)CC1 77044393 HYKVZDUWOBDRIN-ZDUSSCGKSA-N 310.398 -0.215 30 20 DBED C[C@H](C(=O)NCCCC#N)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 273043403 POOMTXWVEGAPTK-OOCWMUITSA-N 305.334 -0.043 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)Cc2cncs2)CC1 275654620 DBZXBJAYQRXOBT-UHFFFAOYSA-N 320.418 -0.031 30 20 DBED C=C[C@](C)(O)CC(=O)NCCS(=O)(=O)N1CCSCC1 278869745 MXVWPPTXKLDIJN-LBPRGKRZSA-N 322.452 -0.192 30 20 DBED C#Cc1cc(F)c(NC(=O)C(=O)N2C[C@@H](O)C[C@H]2CO)c(F)c1 283283069 NVRUMCKYMQWHRI-UWVGGRQHSA-N 324.283 -0.161 30 20 DBED C#CCNc1nc(N(C)[C@H](C)CO)nc(N(C)[C@H](C)CO)n1 286494414 PWCMRGXIJQGNSA-GHMZBOCLSA-N 308.386 -0.449 30 20 DBED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](CC)C(N)=O)cc1 292937458 UJWWGGZAZIJGRO-GFCCVEGCSA-N 323.374 -0.408 30 20 DBED C#CCN(CC)C(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 299154823 VEYAQYSVZMSXGI-NWDGAFQWSA-N 312.391 -0.496 30 20 DBED C#CCN1CCC(C(=O)N(CC(N)=O)CC(=O)OCC)CC1 299669992 NHHCZMGSXARXDB-UHFFFAOYSA-N 309.366 -0.791 30 20 DBED C[C@@H]1CCCN(/C(N)=N/CCS(=O)(=O)N2CCOCC2)C1 303970776 CWKJVBKCSBGQMN-GFCCVEGCSA-N 318.443 -0.305 30 20 DBED O=C1C[C@H](/N=C(/O)N2CCS(=O)(=O)CC2)CN1C1CC1 328890949 SDAYCWFIVAYWJW-VIFPVBQESA-N 301.368 -0.606 30 20 DBED CC[C@H](C)NC(=O)CN1CCN(C(=O)CN/C(O)=N/C)CC1 330538061 WPQBJXUCCFXJIQ-NSHDSACASA-N 313.402 -0.821 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@]1(O)CCN(C)C1 336929500 AMJVAHPMCOCQNR-NWDGAFQWSA-N 304.416 -0.631 30 20 DBED C=CCCO[C@@H](C)C(=O)N1CCC[C@@H](CNS(N)(=O)=O)C1 352153171 DVGGKLDWJNUEOL-RYUDHWBXSA-N 319.427 -0.001 30 20 DBED CNC(=O)N[C@H]1CCN(S(=O)(=O)c2cncc(C#N)c2)C1 352201275 QSSKECYUYXBJPP-JTQLQIEISA-N 309.351 -0.355 30 20 DBED CN(C(=O)C(=O)Nc1ccc(C#N)c(F)c1)[C@H]1COC[C@H]1O 354366989 QRZSUHKRDHQDRO-NWDGAFQWSA-N 307.281 -0.146 30 20 DBED C=CCOC[C@H](NC(=O)[C@@H]1OC[C@H]2COCC[C@@H]21)C(=O)OC 356334721 CKSSPSCFPFBOGD-MROQNXINSA-N 313.350 -0.102 30 20 DBED CC[C@H]1C(=O)N(CC)CCN1C(=O)NCCn1cnc(C#N)n1 357862599 ALSSJGWBPMZPQK-NSHDSACASA-N 319.369 -0.198 30 20 DBED C=CC[C@H](CC)NC(=O)C(=O)Nc1ncn(CC(=O)OCC)n1 425780116 ZTVYPYNYMOYVBG-JTQLQIEISA-N 323.353 0.251 30 20 DBED C=CCNC(=O)NC(=O)CN1CCC(S(=O)(=O)CC)CC1 444805563 UIVYBCNMRLEOOX-UHFFFAOYSA-N 317.411 -0.103 30 20 DBED C#CCN1CCN(C(=O)CN[C@H](COC)[C@H]2CCCO2)CC1 491567400 KVTMFBSZVSJATA-HUUCEWRRSA-N 309.410 -0.453 30 20 DBED N#C[C@]1(NC(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)CCOC1 547490391 JNNKVPJARDZMSS-YNOLBEGSSA-N 315.329 -0.408 30 20 DBED CCC(CC)(C(=O)Cn1c(=O)[nH]cc(C#N)c1=O)C(=O)OC 568983484 JYDTTYRHNHELIW-UHFFFAOYSA-N 307.306 -0.043 30 20 DBED N#Cc1cccc(CCNC(=O)NCC(=O)N2CCNCC2)c1 581061594 IPYGVRLHOLUOBB-UHFFFAOYSA-N 315.377 -0.168 30 20 DBED CN(CCC#N)C[C@H](O)CN[C@@H]1CCCN(S(C)(=O)=O)C1 584405362 BPKJGIVBKAPGSK-CHWSQXEVSA-N 318.443 -0.794 30 20 DBED N#CCNC(=O)CNC(=O)Nc1ccn(CC(F)(F)F)n1 588266674 ZLODHABVXCXOMO-UHFFFAOYSA-N 304.232 0.207 30 20 DBED Cn1c(N2CCC(F)(F)[C@H](CO)C2)c(C#N)c(=O)n(C)c1=O 589695529 GZXWVRRHHJMQKP-QMMMGPOBSA-N 314.292 -0.590 30 20 DBED CCNC(=O)NCCNS(=O)(=O)N(CCC#N)CCOC 590587865 BPAPKNPXUDVIHP-UHFFFAOYSA-N 321.403 -0.998 30 20 DBED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCCCN2)cc1 593911091 SURAXCZDLKYXEF-UHFFFAOYSA-N 308.363 -0.036 30 20 DBED CCOC(=O)Cn1ccc(NC(=O)N2CCO[C@H](C#N)C2)n1 594187269 URCJOIXMUXOPDB-SNVBAGLBSA-N 307.310 0.202 30 20 DBED N#C[C@]1(C(=O)NCCOCCS(N)(=O)=O)CC12CCCC2 598734680 JTOOBSDHTVFQRN-ZDUSSCGKSA-N 315.395 -0.118 30 20 DBED N#CCCN1CCN(C(=O)C(=O)NCCc2ccoc2)CC1 601531871 DTMWZPJTGYKFTR-UHFFFAOYSA-N 304.350 -0.004 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H]2CCCCN2)C1=O 644081314 AYYKSKGNPIPIPF-SNVBAGLBSA-N 308.338 -0.779 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)C(=O)OCC)C1=O 726040556 WLTRRHMECPONQY-QMMMGPOBSA-N 312.278 -0.542 30 20 DBED N#Cc1ccc(NCCNC(=O)N2CCO[C@H](C(=O)O)C2)nc1 738431595 XYSACCUJDUHYNP-NSHDSACASA-N 319.321 -0.140 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)OC[C@H]2COC(=O)O2)C1=O 763957360 ZFDCYYHEUCBKLC-ZETCQYMHSA-N 312.234 -0.958 30 20 DBED C#C[C@H](NC(=O)NC[C@H]1CCS(=O)(=O)C1)[C@@H]1CCCO1 773166847 XRBXEOBWLSQGOM-WOPDTQHZSA-N 300.380 -0.099 30 20 DBED C#CCOCCNC(=O)C(=O)Nc1cnn(C[C@@H]2CCCO2)c1 785161960 YGUWZCMNDJHLDP-ZDUSSCGKSA-N 320.349 -0.233 30 20 DBED CCOCCONC(=O)C(=O)NCCNc1ncccc1C#N 787756578 BJRJKULBPXZLRH-UHFFFAOYSA-N 321.337 -0.434 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)c1ccc(C(=O)OC)[nH]1 796345912 OLFKZUOAHFLIJM-UHFFFAOYSA-N 309.278 -0.030 30 20 DBED N#Cc1ccc(NCCNC(=O)C(=O)N[C@@H]2CCOC2)nc1 804697942 WLRJWANIDDYXOR-LLVKDONJSA-N 303.322 -0.614 30 20 DBED C#C[C@@H](C)N(C)C(=O)NCCS(=O)(=O)N1CCOCC1 812017500 GVTFEIDKDHYNJK-LLVKDONJSA-N 303.384 -0.689 30 20 DBED C#CC[C@H](CO)NC(=O)c1ccc(=O)n(-c2cnn(C)c2)c1 816672701 HWLGDQSEFAJNCC-GFCCVEGCSA-N 300.318 -0.315 30 20 DBED Cn1cc(C#N)c(=O)n(Cc2ccnc(-c3nn[nH]n3)c2)c1=O 826358123 FXHSPOHSNYAZJA-UHFFFAOYSA-N 310.277 -0.958 30 20 DBED C#C[C@H](NC(=O)C(=O)N1C[C@@H](C)[C@H](C(=O)OC)C1)[C@@H]1CCCO1 834816946 CUDPROIDQIJGSH-NDBYEHHHSA-N 322.361 -0.449 30 20 DBED CN1CC[C@H](C(=O)NCCNc2ncccc2C#N)S1(=O)=O 843773242 COPWJZCYAVTNHF-LLVKDONJSA-N 323.378 -0.485 30 20 DBED C#CC[C@H](CO)NC(=O)COCCNC(=O)c1ccccc1 854544643 SYSCFERBVSTFPV-CQSZACIVSA-N 304.346 -0.067 30 20 DBED C#CCC[C@H](O)CNC(=O)c1ccc(NS(C)(=O)=O)nc1 861519425 MLMJBGSQTVWUNO-NSHDSACASA-N 311.363 -0.043 30 20 DBED C=CCOC[C@H](NC(=O)CNC(=O)N1CCCC1)C(=O)OC 907928873 XQNZCZMQHJOBPE-NSHDSACASA-N 313.354 -0.348 30 20 DBED CNS(=O)(=O)c1cccc(C(=O)NCC#CCN(C)C)c1 913514329 MPBHTFVTMDMYFM-UHFFFAOYSA-N 309.391 -0.111 30 20 DBED C#CC1(O)CN(C[C@H](O)Cn2c(-c3ccccc3)noc2=O)C1 934442971 BBZBTFVQBRQJPC-ZDUSSCGKSA-N 315.329 -0.456 30 20 DBED C#CC1(O)CN(CC(=O)NCC(=O)Nc2ccc(F)c(F)c2)C1 934446669 NLAHCYNUDBSLBX-UHFFFAOYSA-N 323.299 -0.301 30 20 DBED C#CC1(O)CN(CC(=O)Nc2nc(CC(=O)OCC)cs2)C1 934447228 DDQVDBNLMJLROC-UHFFFAOYSA-N 323.374 -0.133 30 20 DBED C#C[C@@H](NC(=O)Cn1cccc(C(=O)OC)c1=O)[C@H]1CCCO1 935460788 XVMZLLZAYVSPAG-CHWSQXEVSA-N 318.329 -0.068 30 20 DBED C=C(C)C(C)(C)C(=O)N1CC[C@H](NC(=O)Cn2ncnn2)C1 938003597 GPCHJXMJUQSPGC-NSHDSACASA-N 306.370 -0.008 30 20 DBED C#Cc1ccc(C(=O)N2CCCN(C(=O)C(N)=O)CC2)nc1 941775978 DUVTUARHUUDRAQ-UHFFFAOYSA-N 300.318 -0.777 30 20 DBED COc1c(O)nc(O)nc1C(=O)N[C@H]1CCN(CC#N)C[C@@H]1C 944136043 QVCRYHFQLJKLHE-IUCAKERBSA-N 321.337 -0.140 30 20 DBED C[C@@H]1CN(C(=O)CC(N)=O)CC[C@H]1NC(=O)c1c[nH]c(C#N)c1 945228351 ROEIUMJDONJEGI-BXKDBHETSA-N 317.349 -0.271 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2CN(C(=O)COC)C[C@H]2OC)c1 946641183 WYOVKJSZAKAJFU-ZIAGYGMSSA-N 317.345 -0.335 30 20 DBED C#CCCN1CCC[C@@H](N(C)C(=O)Cn2ncn(C)c2=O)CC1 948565384 DPWHIRZEMXYIKZ-CQSZACIVSA-N 319.409 -0.082 30 20 DBED CN1CC[C@H](C(=O)NC[C@H]2CCN2C(=O)C#CC2CC2)CC1=O 950952304 JCWGFTOIUKSWER-UONOGXRCSA-N 317.389 -0.015 30 20 DBED C=CC(C)(C)C(=O)N1CC(N(C)C(=O)CN2CC(=O)NC2=O)C1 955013805 ZPNSTSLOTAJSML-UHFFFAOYSA-N 322.365 -0.580 30 20 DBED C=C(C)CN1C[C@@H](O)[C@@H](CNC(=O)C2CS(=O)(=O)C2)C1 958097172 UMOXZWKYQZLPJQ-CMPLNLGQSA-N 302.396 -0.984 30 20 DBED C=CCCN1C[C@H](O)[C@H](CNC(=O)C2CCN(C(N)=O)CC2)C1 958658097 ULEJQOYEFGPYAV-KGLIPLIRSA-N 324.425 -0.238 30 20 DBED C#CCN1CCC(C(=O)NC[C@@H]2CN(CCF)C[C@@H]2O)CC1 958723895 JZJVQDLCGXQHQM-CABCVRRESA-N 311.401 -0.290 30 20 DBED C#CCCN1C[C@H](O)[C@H](CNC(=O)c2cc(C(N)=O)ccn2)C1 958769460 IXYKSVDASNWYOJ-OCCSQVGLSA-N 316.361 -0.774 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)CC(N)=O 960159534 WBPHYTOGEMBBND-WDEREUQCSA-N 309.366 -0.488 30 20 DBED O=C(C#CC1CC1)N1C[C@H]2CN(C(=O)Cn3nccn3)C[C@H]2C1 961541203 MSXQLOVYAUNXGJ-OKILXGFUSA-N 313.361 -0.392 30 20 DBED C#Cc1cncc(C(=O)NC2[C@@H]3CN([C@@H]4CCNC4=O)C[C@@H]23)c1 961709961 DERXADXTMAGIBN-MGPQQGTHSA-N 310.357 -0.389 30 20 DBED C#CCN1C[C@H]2C(NC(=O)c3ccc(S(C)(=O)=O)o3)[C@@H]2C1 961933724 RTLWREBHTMRXJC-NXEZZACHSA-N 308.359 -0.024 30 20 DBED C=C(C)CN1C[C@H]2C(NC(=O)CN3CCC(=O)NC3=O)[C@@H]2C1 962219194 RTENYRGDXBRXQD-GHMZBOCLSA-N 306.366 -0.449 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)c1cn(C)cn1 964151899 VHUAKVNIVIMUQM-GHMZBOCLSA-N 305.338 -0.463 30 20 DBED C=CCn1cc(C(=O)N2CC3(C[C@H](NC(=O)CC)CO3)C2)nn1 965591902 PKUFSLRQTOAPIM-NSHDSACASA-N 319.365 -0.026 30 20 DBED C[C@H](C#N)C(=O)N1CC2(C[C@@H](NC(=O)c3cnnn3C)CO2)C1 965684397 WUQMBHKHBKGQIS-NXEZZACHSA-N 318.337 -0.926 30 20 DBED C=CCCN1CC[C@@H](C)[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 966171049 ZPLVXHWHQJTUPB-NEPJUHHUSA-N 320.397 -0.220 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1NC(=O)c1cn(C)nn1 966401544 QULDVWIBRSPRBI-PWSUYJOCSA-N 301.350 -0.195 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C)C[C@@H]1O 968347965 HZNUNKFDJYQQGR-ZSAUSMIDSA-N 319.405 -0.572 30 20 DBED C=CCCN1CC[C@H](C)[C@@H](NC(=O)CN2C(=O)CNC2=O)C1 968628426 YIHFDGBOQBXYDB-RYUDHWBXSA-N 308.382 -0.059 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)c1nnn(C)n1 969640857 XZFSSJSVLOFAAH-BBBLOLIVSA-N 303.326 -0.815 30 20 DBED C=CCN1CC[C@@H](N2CC([C@H](C)NC(=O)c3cnn[nH]3)C2)C1=O 970025894 AGABJJDTQNQYRH-GXFFZTMASA-N 318.381 -0.358 30 20 DBED C=CCn1cc(C(=O)N[C@@H](C)C2CN([C@@H](C)C(=O)NC)C2)nn1 970544565 NYWBVFYKUFFIRW-QWRGUYRKSA-N 320.397 -0.351 30 20 DBED Cc1nnc(CC(=O)N2CC[C@]3(CN(CC#N)CCO3)C2)o1 972368660 ARJJPAWCHJOINO-AWEZNQCLSA-N 305.338 -0.253 30 20 DBED C#CCCN1CCO[C@]2(CCN(C(=O)[C@]3(C)CCNC3=O)C2)C1 972548481 JIZQHUPYQGZEHV-IAGOWNOFSA-N 319.405 -0.161 30 20 DBED C=CCOc1cccnc1C(=O)N[C@H]1C[C@@H](NC(=O)C(N)=O)C1 974392446 AYGXJJXXJMFLIU-AOOOYVTPSA-N 318.333 -0.491 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H]2[C@H](NC(=O)Cn3cnnn3)[C@H]2C1 976141383 KSDQATSDEIOCJN-IAZYJMLFSA-N 304.354 -0.542 30 20 DBED C#CCN1C[C@@H]2C(CNC(=O)c3cccn4c(O)nnc34)[C@H]2C1 978938699 DPWMGVOLKYMDCL-CHWSQXEVSA-N 311.345 -0.024 30 20 DBED NC(=O)C(=O)N1C[C@@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C#CC2CC2)C1 984278732 NYFVRFDRXRUKRK-FQUUOJAGSA-N 315.373 -0.420 30 20 DBED C#CCN(C)C1CCN(C(=O)c2cnc(O)n(C)c2=O)CC1 985567904 BMEJBMARLPOBLL-UHFFFAOYSA-N 304.350 -0.345 30 20 DBED C#CCN[C@H]1CCN(C(=O)c2nc(C)n(-c3nc[nH]n3)n2)[C@H]1C 986632372 HELRRANYKNOCFZ-ONGXEEELSA-N 314.353 -0.480 30 20 DBED CC(C)c1nnnn1CC(=O)NC1CN(C(=O)C#CC2CC2)C1 991954690 CIYGQMWZQSMUDU-UHFFFAOYSA-N 316.365 -0.463 30 20 DBED CN1CC(=O)N(CC(=O)N[C@]23CCC[C@@H]2N(CC#N)CC3)C1=O 992475100 NCGKNQQKEUTWJB-NHYWBVRUSA-N 319.365 -0.483 30 20 DBED CC1(C)CN(C(=O)C2CC3(C2)NC(=O)NC3=O)C[C@@H]1NCC#N 996408038 PTZXKFDADZZQJB-VOZQYIJBSA-N 319.365 -0.675 30 20 DBED C#CCN[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(CCOC)C2)C1 999298062 KQSLFASYTUULKY-ZIAGYGMSSA-N 307.394 -0.305 30 20 DBED C#CCN1CCC(N(C)C(=O)CN2CCN(C)C(=O)C2)CC1 1005628281 HYNUJMTWUXWTLK-UHFFFAOYSA-N 306.410 -0.684 30 20 DBED N#Cc1cc(C(=O)N[C@H]2CCN(CCN3CCNC3=O)C2)c[nH]1 1010689161 KSZPLVAUUHDXKO-LBPRGKRZSA-N 316.365 -0.284 30 20 DBED O=C(C#CC1CC1)N1CCN(C(=O)[C@H]2CCCS2(=O)=O)CC1 1011111539 ODJIKCXCHZOLGZ-CYBMUJFWSA-N 324.402 -0.352 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C(=O)c2coc(C(N)=O)c2)CC1 1011614075 VIKMNUNARYDKLH-VIFPVBQESA-N 304.306 -0.177 30 20 DBED O=C1CC[C@@H](C(=O)NC2[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]23)N1 1013508758 PGMRITBJZQQEBK-UTUOFQBUSA-N 301.346 -0.749 30 20 DBED C[C@@H]1[C@H](NC(=O)C(N)=O)CCCN1C(=O)c1c[nH]c(C#N)c1 1015179557 QECCURDZTNTTHO-LDYMZIIASA-N 303.322 -0.519 30 20 DBED C=CCN1CC[C@@H](N[C@H]2CCN(C(=O)Cc3nc[nH]n3)C2)C1=O 1019629469 MXOQHBFJFDHFRT-NWDGAFQWSA-N 318.381 -0.675 30 20 DBED C[C@H]1[C@@H](NC(=O)[C@H]2COCCN2C)CCN1C(=O)C#CC1CC1 1020249290 YFLFJICAWSELCM-AEGPPILISA-N 319.405 -0.164 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2O)cn1 1024927776 IFPCQBDOPCPEDS-ZLKJLUDKSA-N 312.329 -0.476 30 20 DBED C=C[C@](C)(CC)C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2nc[nH]n2)C1 1025740062 MAWCYOFKQZRSTK-UEKVPHQBSA-N 321.381 -0.363 30 20 DBED N#Cc1ccc(C(=O)NC2CN(CC(=O)N3CCOCC3)C2)[nH]1 1030223487 XQXKCZYACQZBLG-UHFFFAOYSA-N 317.349 -0.841 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)c3ccnnc3)C2)C1=O 1031004897 DIHKUHKDCKTCNS-CYBMUJFWSA-N 301.350 -0.323 30 20 DBED C=CCn1cc(C(=O)NC2CN(Cc3cnnn3C)C2)nn1 1031069937 HPMOLOAIWTYWEK-UHFFFAOYSA-N 302.342 -0.793 30 20 DBED CN(C(=O)Cn1nnc(-c2ccco2)n1)[C@@H]1CCN(CC#N)C1 1033218889 VIAYHNLPMGDHMQ-LLVKDONJSA-N 315.337 -0.011 30 20 DBED CN(C(=O)c1cn([C@@H]2CCOC2)nn1)[C@@H]1CCN(CC#N)C1 1033565379 FROFZKUSEZGQAY-VXGBXAGGSA-N 304.354 -0.091 30 20 DBED C=CCN1CC[C@H](N(CC)C(=O)c2cn(C)c(=O)n(C)c2=O)C1 1033978977 NEKQVWOIVTVTDW-LBPRGKRZSA-N 320.393 -0.194 30 20 DBED CC[C@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)CC[C@@H]1NCC#N 1037845193 NKXJHBSXZXERIH-QWRGUYRKSA-N 319.369 -0.883 30 20 DBED C=CCCC(=O)N1CC[C@](O)(CNC(=O)CC(=O)N(C)C)C1 1039752796 DYEPAQJVTQVJKY-HNNXBMFYSA-N 311.382 -0.490 30 20 DBED C=CCn1cc(C(=O)NC[C@]2(O)CCN(C(=O)CC)C2)nn1 1039753561 SYIWFXQVMIALJN-CQSZACIVSA-N 307.354 -0.433 30 20 DBED CCc1nc[nH]c1C(=O)NC[C@@]1(O)CCN(C(=O)[C@H](C)C#N)C1 1040536556 NHDOQJGGAUPZHO-BMIGLBTASA-N 319.365 -0.175 30 20 DBED Cc1ncoc1C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1O 1040983586 RNJVNQKVSIIQOR-GHMZBOCLSA-N 314.305 -0.376 30 20 DBED C#Cc1cncc(C(=O)N2CC(O)(CNC(=O)COCC)C2)c1 1041309498 NTIFRPYSTZJHHH-UHFFFAOYSA-N 317.345 -0.598 30 20 DBED C=CCCO[C@H](C)C(=O)N1CC(O)(CNC(=O)COCC)C1 1041314222 UCLWLNMOKLCENG-GFCCVEGCSA-N 314.382 -0.306 30 20 DBED C[C@@H]1CC[C@H](C(=O)N[C@@H]2CN(c3cnc(C#N)cn3)C[C@H]2O)O1 1041358972 DEAPHBWXWZSQIY-OJAKKHQRSA-N 317.349 -0.419 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)c2cc(C)nn2C)C1 1041746807 NZJFRLDDQIWITI-UHFFFAOYSA-N 322.365 -0.766 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)C[C@@H]2CCOC2)C1 1042258128 BLZDAOPEQDCXHC-STQMWFEESA-N 324.377 -0.859 30 20 DBED C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)C[C@H]1N=c1cc[nH]cc1C#N 1043261937 AVATUPSPKZENTF-DDTOSNHZSA-N 313.361 -0.087 30 20 DBED N#Cc1nccc(N2C[C@H](O)[C@H](NC(=O)c3cnsn3)C2)n1 1043863318 MEXOLLQWQFYJFT-BDAKNGLRSA-N 317.334 -0.821 30 20 DBED C=CCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCCNC2=O)C1 1045459166 WOHCOTDHRJBYQA-GFCCVEGCSA-N 323.393 -0.442 30 20 DBED C=CCCCC(=O)NCC1(O)CN(C(=O)[C@@H](C)CC(N)=O)C1 1045462280 CTVBDGTXHDECDB-NSHDSACASA-N 311.382 -0.456 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)c2cnn(CCF)c2)C1 1045555020 MWYSFVWFPYCXIZ-JTQLQIEISA-N 323.328 -0.685 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)CN2CC[C@@H](C)C2)C1 1046677031 NSUKBHQILUUELI-CYBMUJFWSA-N 309.410 -0.016 30 20 DBED C=C(C)CCC(=O)N1CC(O)(CNC(=O)CCc2cnn[nH]2)C1 1046803500 CEUJCRVLVRMOHT-UHFFFAOYSA-N 321.381 -0.217 30 20 DBED C#CCCN1C[C@H]2C[C@@H](NC(=O)CN3CCOCC3=O)C[C@H]1C2 1047089224 ORCIEWWWFALXMA-RRFJBIMHSA-N 319.405 -0.162 30 20 DBED CC(=O)N1CC[C@@](C)(C(=O)N(C)[C@H]2CN(CC#N)C[C@@H]2O)C1 1047590032 WMNDQYBRBGADPZ-KCQAQPDRSA-N 308.382 -0.728 30 20 DBED C#Cc1ccc(C(=O)N(C)[C@H]2CN(C[C@H](C)O)C[C@@H]2O)cn1 1047599120 IMMXJXTVYJTKBF-CQDKDKBSSA-N 303.362 -0.439 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)[C@H]1CN(C(=O)C2CCC2)C[C@@H]1O 1048852969 UWEGLJLBJDDYDJ-UBHSHLNASA-N 308.378 -0.145 30 20 DBED C#CCN1C[C@H]2CN(C(=O)[C@H](Cn3cccn3)N(C)C)C[C@H]2C1 1048862220 UFSJWTMBPAWQLS-XHSDSOJGSA-N 315.421 -0.163 30 20 DBED C#CCCN1C[C@H]2CN(C(=O)CCN3C(=O)CCC3=O)C[C@H]2C1 1048924340 APBKMJCRDKYSBP-OKILXGFUSA-N 317.389 -0.061 30 20 DBED C#CCN1C[C@H]2CN(C(=O)c3ccoc3CC(N)=O)C[C@H]2C1 1049010071 JYWNCHQHHKYTGO-TXEJJXNPSA-N 301.346 -0.056 30 20 DBED C#Cc1ccc(C(=O)N2C[C@@H]3CN([C@@H](C)C(N)=O)C[C@@H]3C2)cn1 1049177447 BKUHCTFDJZUDGF-FPMFFAJLSA-N 312.373 -0.060 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)c2cc[n+]([O-])cc2)C[C@@H]1O 1049388707 PAILCZSSRCQOES-WXHSDQCUSA-N 318.333 -0.877 30 20 DBED CC#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)CN1CCOCC1=O 1049519898 AYHFDZXRHDBDRH-GJZGRUSLSA-N 319.405 -0.066 30 20 DBED C#CCCN1CCOC[C@H]1CNC(=O)c1c[nH]c(C(N)=O)c1 1051244426 CBRYQAKGYQLLSQ-GFCCVEGCSA-N 304.350 -0.433 30 20 DBED C=C(C)CN1CCOC[C@H]1CNC(=O)c1cn(C)c(=O)n1C 1051263315 URCWMKVWXYQIML-GFCCVEGCSA-N 308.382 -0.270 30 20 DBED C[C@@H](NC(=O)C#CC1CC1)[C@H]1CCN(C(=O)c2nnn(C)n2)C1 1051342054 MOWYWMOFDRFPIV-PWSUYJOCSA-N 316.365 -0.410 30 20 DBED C#CCN1CCN([C@H]2CCN(C(=O)c3ccn(C)n3)C2)CC1 1052118736 WDBJCBVSSUVTQW-AWEZNQCLSA-N 301.394 -0.115 30 20 DBED C#CCN1CC2(C1)CN(C(=O)C[C@H]1CCOC[C@H]1OC)CCO2 1053285431 VTNPDNDVHJVNRX-HUUCEWRRSA-N 322.405 -0.026 30 20 DBED C=CCN1CC2(C[C@H](NC(=O)c3ccc(C(N)=O)[nH]3)CO2)C1 1053927292 XSWKQZNNBXMSMQ-JTQLQIEISA-N 304.350 -0.127 30 20 DBED COC(=O)NCC(=O)N1C[C@@H]2CN(C(=O)C#CC(C)C)C[C@@H]2C1 1055203742 QCWGERDZHJMQBX-BETUJISGSA-N 321.377 -0.081 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@](CO)(NC(=O)c2cn[nH]c2)C1 1055796799 RLHABJBAWCLYQR-YGRLFVJLSA-N 305.338 -0.347 30 20 DBED O=C(C#CC1CC1)N[C@@]1(CO)CCCN(C(=O)[C@H]2CCOC2)C1 1055936119 CEZVTKLVOZRFFE-YOEHRIQHSA-N 320.389 -0.094 30 20 DBED C[C@@H](C#N)C(=O)N[C@]1(CO)CCCN(C(=O)c2csnn2)C1 1056095461 BSSPQGMDHFPWOH-TVQRCGJNSA-N 323.378 -0.219 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)[C@@H]1CCCN1C 1057212786 WAZPJQIODSNRJL-AWEZNQCLSA-N 309.410 -0.323 30 20 DBED CSCC(=O)NCCN(CCO)C(=O)c1ccc(C#N)[nH]1 1057367282 UZOBXEGJNFSIDF-UHFFFAOYSA-N 310.379 -0.200 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)C[C@@H]1COC(=O)C1 1057517618 YSYBTHVVAGTDCT-ZDUSSCGKSA-N 324.377 -0.464 30 20 DBED C=C(C)C(C)(C)C(=O)N(CCO)CCNC(=O)CNC(C)=O 1058286554 SMQCYTDMCQPWII-UHFFFAOYSA-N 313.398 -0.338 30 20 DBED N#Cc1cncc(N2CC[C@@H](NC(=O)Cn3cnnc3O)C2)n1 1058321108 SDQRFYFTHVAMBT-SECBINFHSA-N 314.309 -0.960 30 20 DBED N#Cc1cncc(N[C@H]2C[C@@H](NC(=O)[C@H]3CCNC3=O)C2)n1 1059781546 CUXNRHZVUXGZPI-NGZCFLSTSA-N 300.322 -0.457 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](CCNC(=O)C2(NC(N)=O)CC2)C1 1060289518 ORKAVDRYFOFOIZ-MNOVXSKESA-N 321.381 -0.298 30 20 DBED C[C@H](C#N)C(=O)N1CCC2(CC1)CN(C(=O)CNC(N)=O)C2 1060893483 HFPASOYTUDAOAL-SNVBAGLBSA-N 307.354 -0.735 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)Cn1cccn1 1061284820 XCCURTKVGZOIGI-VXGBXAGGSA-N 305.338 -0.614 30 20 DBED O=C(Cc1cc[nH]n1)NC[C@@H]1COCCN1C(=O)C#CC1CC1 1061457374 DSXLPPYRPWJTTE-CQSZACIVSA-N 316.361 -0.291 30 20 DBED CCN(CC)CC(=O)N1CCOC[C@H]1CNC(=O)[C@@H](C)C#N 1061848885 WGNAZIIWANMNBB-QWHCGFSZSA-N 310.398 -0.169 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)CCCCC(N)=O 1061849022 YDVGIFXYEWMKRD-VXGBXAGGSA-N 324.381 -0.465 30 20 DBED C=CCOCC(=O)N1CCOC[C@H]1CNC(=O)Cc1cnc[nH]1 1061930622 SZIXIRNVZYMGIT-CYBMUJFWSA-N 322.365 -0.502 30 20 DBED Cn1cnc(C(=O)N2C[C@@H]3CC[C@H](C2)N3c2cnc(C#N)cn2)n1 1061958897 NDODNULGROLVRA-TXEJJXNPSA-N 324.348 -0.030 30 20 DBED N#Cc1cccnc1N1[C@H]2CC[C@H]1CN(C(=O)Cn1ncnn1)C2 1061990880 AMCUTFFEBJHVOV-STQMWFEESA-N 324.348 -0.180 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(NC(=O)[C@@H]2COCCO2)CCC1 1063041601 ADZAJUBKBQSRPQ-OLZOCXBDSA-N 324.377 -0.405 30 20 DBED N#Cc1ccc(N2CCO[C@H](CNC(=O)c3nc[nH]n3)C2)nc1 1063639570 RTFGUTIHQDBCNI-LLVKDONJSA-N 313.321 -0.293 30 20 DBED C#CCOCCC(=O)NC1(CNC(=O)[C@@H](C)CC(N)=O)CCC1 1063903182 MQKUNNMRMILINN-LBPRGKRZSA-N 323.393 -0.307 30 20 DBED N#Cc1cncc(N2CC[C@@H]3CN(C(=O)C(N)=O)CC[C@@H]32)n1 1064034559 XVUKETPIVRNCHM-KOLCDFICSA-N 300.322 -0.739 30 20 DBED CCn1ncc(C(=O)N[C@H]2[C@H]3C[C@H]2N(c2cncc(C#N)n2)C3)n1 1064246475 QCMYRYONQVTSMC-BHYNMZESSA-N 324.348 -0.033 30 20 DBED C=CCCC(=O)N1CCO[C@H](CNC(=O)[C@H]2CCNC(=O)C2)C1 1064956267 UZLWRNVGEREDJO-QWHCGFSZSA-N 323.393 -0.178 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)COCCOC)CCO1 1064985924 MOBSSICQSVHJII-ZDUSSCGKSA-N 314.382 -0.041 30 20 DBED C=C(C)CCC(=O)N1CCO[C@H](CNC(=O)c2nnn(C)n2)C1 1065226405 HREKTOXQXURZOB-LLVKDONJSA-N 322.369 -0.476 30 20 DBED C=CCCCC(=O)NC[C@H]1CN(C(=O)c2nnn(C)n2)CCO1 1065466792 DGOYGJMDFZHEHA-NSHDSACASA-N 322.369 -0.476 30 20 DBED N#Cc1ccc(N2CCOC[C@H]2CNC(=O)c2cnn[nH]2)cn1 1066530955 NGNFLAWKRCMDDS-GFCCVEGCSA-N 313.321 -0.293 30 20 DBED C[C@H]1CN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C[C@@H]1N=c1cc[nH]c(C#N)n1 1067179518 YGPMEMDDEVZODM-QKZHPOIUSA-N 313.361 -0.079 30 20 DBED CN(CCCN(C)C(=O)CCNC(N)=O)C(=O)C#CC1CC1 1067377913 MCLQQWZDVGMKSL-UHFFFAOYSA-N 308.382 -0.235 30 20 DBED C[C@H](Nc1ccc(C#N)nc1)[C@@H]1CN(C(=O)CC(N)=O)CCO1 1068226790 ANWRQNYDDDKBQL-GWCFXTLKSA-N 317.349 -0.144 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1COC2(C1)CN(C(=O)CC(=O)N(C)C)C2 1069002799 HSCUZVIKDMJVJX-WDEREUQCSA-N 322.365 -0.890 30 20 DBED C[C@@H]1C[C@H](Nc2nccnc2C#N)CN1C(=O)Cn1cnnn1 1069006593 UIDKHGYXTUXHFP-ZJUUUORDSA-N 313.325 -0.564 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@]2(C)CNC(=O)C2)C1 1069986963 LTUAYUHKGWIJAA-XUJVJEKNSA-N 318.381 -0.668 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)c2cncn2C)CCOCC1 1070161236 AYJCGTNDQIJCSH-NSHDSACASA-N 319.365 -0.025 30 20 DBED C=C(C)CN[C@@H]1CN(C(=O)Cn2nccn2)C[C@@H]1n1ccnn1 1070202707 KQRNZDSBZRAUKT-OLZOCXBDSA-N 316.369 -0.513 30 20 DBED C=CCOCC(=O)N[C@@H]1CCCN(C(=O)c2cnnn2C)C1 1070680268 IOQGENIWDPKLNS-LLVKDONJSA-N 307.354 -0.262 30 20 DBED Cn1cncc1[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1NCC#N 1070702339 YGFNUSBKUIFLBX-NXEZZACHSA-N 300.326 -0.740 30 20 DBED C=CCOCC(=O)N[C@@H]1CCCN(C(=O)[C@H](C)CC(N)=O)C1 1071069547 ULEBPUPGBLXLEO-VXGBXAGGSA-N 311.382 -0.192 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CCCN(C(=O)[C@H]2CN(C)C(=O)N2)C1 1071070807 RRHUDGAUABHRIL-CHWSQXEVSA-N 320.393 -0.223 30 20 DBED C[C@@H]1CN(C(=O)CCc2nc[nH]n2)C[C@@]2(CCN(CC#N)C2)O1 1071151644 LJEBGXBXCLJODF-DOMZBBRYSA-N 318.381 -0.047 30 20 DBED C#CCCCCC(=O)N[C@H]1CN(C(=O)CNC(N)=O)C[C@H]1C 1071573823 HWNRFCYJFWWXCG-NEPJUHHUSA-N 308.382 -0.189 30 20 DBED C#CCOCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)c2cn(C)nn2)C1 1072096627 BPRUIHVPOIWESK-NEPJUHHUSA-N 319.365 -0.568 30 20 DBED Cc1ccc(=O)n(CC(=O)N2CC3(CCN(CC#N)C3)C2)n1 1073141410 CSMGCHXWNLGOHV-UHFFFAOYSA-N 301.350 -0.390 30 20 DBED C=CCO[C@H](C)C(=O)N1CC[C@@H](NC(=O)C(N)=O)C(C)(C)C1 1073479236 JNUVPXFBHCHNJO-GHMZBOCLSA-N 311.382 -0.194 30 20 DBED CC(C)C#CC(=O)N[C@H]1CCN(C(=O)Cn2ncnn2)C[C@H]1C 1073941567 SXOYWDGQXTWOPA-OLZOCXBDSA-N 318.381 -0.314 30 20 DBED C#CCOCCC(=O)N[C@H]1CCN(C(=O)c2nc[nH]n2)C[C@@H]1C 1073959919 IZICZMRHOKFVAW-RYUDHWBXSA-N 319.365 -0.189 30 20 DBED C#CCCN1CCO[C@H]2CCN(C(=O)CCn3cncn3)C[C@@H]21 1074170326 MCWWZNNMIUKRLD-GJZGRUSLSA-N 317.393 -0.007 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H](C)CCNC(=O)C(C)(C)C(N)=O 1076964968 IIRXPHOWFMZREF-BONVTDFDSA-N 313.398 -0.164 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)c2cn(C)c(O)n2)C1 1077624360 GXGVOVOQSWFDJV-PSASIEDQSA-N 300.746 -0.347 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)Cn2nnc3c2CCCC3)C1 1077687300 JLBABBGDLKFFBU-UKRRQHHQSA-N 319.409 -0.106 30 20 DBED CC#CCCCC(=O)NCC[C@H](C)NC(=O)Cn1ncnn1 1077898824 DZKLCUABPYRBCO-LBPRGKRZSA-N 306.370 -0.122 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(N(CC)C(=O)C(N)=O)C1 1080406954 IIWDSTCHXHHAMW-NEPJUHHUSA-N 309.366 -0.488 30 20 DBED C#CCN1CCC(C(=O)NC2(CO)CCN(C(C)=O)CC2)CC1 1080890169 XGGQWAZGGWJUEZ-UHFFFAOYSA-N 321.421 -0.179 30 20 DBED C[C@@H](C#N)C(=O)NC1(CO)CCN(C(=O)CC(C)(C)O)CC1 1080979877 DEHMEKMHKODAIR-NSHDSACASA-N 311.382 -0.223 30 20 DBED CCOCC(=O)N1C[C@@H](O)[C@H](CNC(=O)CSCC#N)C1 1081287351 WQKMQOLYFQNJIX-GHMZBOCLSA-N 315.395 -0.785 30 20 DBED Cc1nc(C(=O)N2C[C@H](O)[C@H](CNC(=O)C#CC3CC3)C2)co1 1081470417 ACQNQKZTRZZBHS-OCCSQVGLSA-N 317.345 -0.054 30 20 DBED C=CCCCC(=O)NC[C@H]1CN(C(=O)CNC(C)=O)C[C@H]1O 1081700427 HUOSIRKQGFOQRQ-QWHCGFSZSA-N 311.382 -0.586 30 20 DBED C#CCCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)CCN(C)C)C1 1081729035 FGUJWUJKLSVCNA-ZIAGYGMSSA-N 309.410 -0.323 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@@H]2CCC(=O)N2C(C)C)[C@H](OC)C1 1082060695 GGDLMPIPTDOOHF-HZSPNIEDSA-N 307.394 -0.166 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CN(CCCO)C[C@H]2OC)nn1 1082214205 QAAUFUCBTGQKEK-DGCLKSJQSA-N 309.370 -0.725 30 20 DBED C=C(C)CCN1C[C@@H](NC(=O)C[C@@H]2CC(=O)NC2=O)[C@H](OC)C1 1082401325 KPZZJBPFMNRYSQ-JHJVBQTASA-N 323.393 -0.179 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1cccc2nnn(C)c12 1082401897 KEDBBNHVTWWYJB-CHWSQXEVSA-N 314.349 -0.079 30 20 DBED CN1CCC(OCC(=O)N2CCO[C@@H]3CN(CC#N)C[C@@H]32)CC1 1083235248 UJIYKERPZAJGML-LSDHHAIUSA-N 322.409 -0.468 30 20 DBED Cc1nnc2ccc(C(=O)N[C@@H]3CN(CC#N)C[C@@H]3O)cn12 1083590167 TWOVEPOZNYUUQD-NEPJUHHUSA-N 300.322 -0.664 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)[C@H]2COCCN2CC(F)F)C1 1083670654 IEKBUMYDKQKSLW-UTUOFQBUSA-N 319.352 -0.700 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)c2csc(-c3nc[nH]n3)n2)C1 1083855807 CGCANJJEOLTQLJ-SCZZXKLOSA-N 320.378 -0.111 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2cnn3cccc(OC)c23)C1 1083867602 WGHOARAHUBBYNJ-OLZOCXBDSA-N 314.345 -0.249 30 20 DBED C#CCCN1CC[C@@H]2CN(C(=O)[C@H]3CN(C)C(=O)N3)C[C@@H]2C1 1088066293 FEWNTPZWEVHWLS-HZSPNIEDSA-N 304.394 -0.186 30 20 DBED C[C@@H](C[C@H](C)NC(=O)Cn1nccn1)N=c1cc[nH]c(C#N)n1 1089393036 GOONABUQERCLIW-QWRGUYRKSA-N 314.353 -0.243 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2cc(OC)ncn2)[C@@H](O)C1 1090271345 HQJQOSCRFNTWNN-YPMHNXCESA-N 304.350 -0.327 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2cn(C)c(C)cc2=O)[C@H](O)C1 1090343017 UGONLECQMZDJPP-GDBMZVCRSA-N 317.389 -0.118 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CN(c2ncnc3c2CCC3)C[C@H]1O 1090391260 GSHHJVFLIPRZOE-ZWKOPEQDSA-N 301.350 -0.209 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)CN2CC(=O)N(C)C2=O)[C@H](O)C1 1090723491 XMXKGDPSNKVBGX-NWDGAFQWSA-N 324.381 -0.992 30 20 DBED C[C@H](NC(N)=O)C(=O)N1C[C@@H](N=c2cc[nH]c(C#N)n2)[C@H](C)C1 1090967698 HJDOIUHNMWUWPG-KXUCPTDWSA-N 317.353 -0.914 30 20 DBED CCc1nc(C#N)cc(N2CC[C@H](NC(=O)CC(N)=O)[C@H]2C)n1 1091953597 LDJBTIHRLROLGJ-KOLCDFICSA-N 316.365 -0.131 30 20 DBED C#CCCN1C[C@@H]2CC[C@H](C1)N2C1CCN(C(=O)C(N)=O)CC1 1093488393 ONLUSJNZJKTSOT-GASCZTMLSA-N 318.421 -0.365 30 20 DBED CC(C)S(=O)(=O)CC(=O)NCCNc1ccc(C#N)nn1 1093645772 XDADPIRTYAMFGI-UHFFFAOYSA-N 311.367 -0.300 30 20 DBED CN1CC[C@H](CC(=O)NCCNc2nccnc2C#N)C1=O 1093960838 NLYHHIKTZQZFLV-SNVBAGLBSA-N 302.338 -0.255 30 20 DBED N#Cc1nccnc1NCCNC(=O)C[C@H]1CCS(=O)(=O)C1 1093991968 PGHCFEXFMFRLEF-SNVBAGLBSA-N 323.378 -0.299 30 20 DBED CC[C@@]1(C(=O)NCCN=c2cc[nH]cc2C#N)CCNC1=O 1094219141 QZTCOJWCNNIONT-OAHLLOKOSA-N 301.350 -0.180 30 20 DBED Cn1nc(C(=O)NCCCNc2cnc(C#N)cn2)ccc1=O 1094422507 DNXDIIQTCSHUBI-UHFFFAOYSA-N 313.321 -0.326 30 20 DBED N#Cc1nccnc1NCCCNC(=O)CCN1CCOCC1 1094492454 LSIDVFBXKCXRQL-UHFFFAOYSA-N 318.381 -0.011 30 20 DBED C#CCN1CCN(C(=O)[C@H](C)C2CC2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094619134 FUYQVICBFUTDHW-KWCYVHTRSA-N 310.419 -0.025 30 20 DBED Cc1[nH]nc(C(=O)N[C@@H]2CC(=O)N(C3CN(CC#N)C3)C2)c1C 1094713416 AKKPXOLONHKUMP-LLVKDONJSA-N 316.365 -0.435 30 20 DBED CCc1nc(C(=O)N[C@H]2CC(=O)N(C3CN(CC#N)C3)C2)co1 1094727957 SIVBVEWDXVFLCX-JTQLQIEISA-N 317.349 -0.225 30 20 DBED CN1CCO[C@H](C(=O)NCCCN(C)c2nccnc2C#N)C1 1095521594 KTPIEIIKLNRLFB-ZDUSSCGKSA-N 318.381 -0.379 30 20 DBED CNC(=O)NCC(=O)N[C@@H]1CCCN(c2ccnc(C#N)n2)C1 1096239450 HPFHTGQJBDRYQY-SNVBAGLBSA-N 317.353 -0.638 30 20 DBED CCC(=O)N[C@H](C)C(=O)N[C@H]1CCN(c2cnc(C#N)cn2)C1 1096495816 STSHGYMJWVBYOP-MNOVXSKESA-N 316.365 -0.042 30 20 DBED C[C@@H](CNC(=O)CN1C(=O)CNC1=O)Nc1ncccc1C#N 1097837754 QEJYRBOPZIPMIQ-VIFPVBQESA-N 316.321 -0.578 30 20 DBED CNC(=O)NC(C)(C)C(=O)NC[C@@H](C)Nc1cnc(C#N)cn1 1097889430 JIWVDGNBPNEDOM-SECBINFHSA-N 319.369 -0.028 30 20 DBED C[C@H](CNC(=O)[C@H]1CC(=O)N(C)C1)N=c1cc[nH]c(C#N)n1 1098346450 PZLSLXMSDCHTFO-ZJUUUORDSA-N 302.338 -0.835 30 20 DBED N#CCNCc1cn([C@H]2CCN(C(=O)c3cc[nH]n3)C2)nn1 1098622155 BMTPKMRNRXNPNN-NSHDSACASA-N 300.326 -0.298 30 20 DBED C[C@H](CC(N)=O)C(=O)N1CC[C@@H](n2cc(CNCC#N)nn2)C1 1098697639 JYPWNUJQAXZJGU-ZYHUDNBSSA-N 319.369 -0.824 30 20 DBED C[C@@H](CCNC(=O)CCn1cncn1)N=c1cc[nH]c(C#N)n1 1098842867 FLPBFTHCOYEXJA-NSHDSACASA-N 314.353 -0.241 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)CCn2cncn2)[C@@H](O)C1 1099679191 WAZZEKBXRNULON-KBPBESRZSA-N 323.397 -0.578 30 20 DBED C/C(=C\C(=O)N[C@@H]1CCN(CC(=O)NCC#N)C[C@@H]1O)C1CC1 1099715900 MKHWOVWHFUJJHM-GELOPOQCSA-N 320.393 -0.466 30 20 DBED C#CCCCCC(=O)N[C@H]1CCN(CC(=O)NCC#C)C[C@H]1O 1099786989 SOLKIIJZWSOFGC-LSDHHAIUSA-N 319.405 -0.519 30 20 DBED O=C(C#CC1CC1)N[C@H]1CCN(CCn2cccn2)C[C@H]1O 1099827681 YHPPBTHMLHKMCS-LSDHHAIUSA-N 302.378 -0.152 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)c2cnnc(O)c2)[C@@H](O)C1 1099885327 LNTAWUNGDKGNMF-OLZOCXBDSA-N 322.365 -0.450 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)c2cncnc2O)[C@@H](O)C1 1099887819 LEHIXTXIKIDEPR-OLZOCXBDSA-N 322.365 -0.450 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)c2n[nH]cc2F)[C@H](O)C1 1099992323 XOFJXARRUMSJTC-VXGBXAGGSA-N 312.345 -0.084 30 20 DBED C#CCCN1CC[C@H](NC(=O)CCCC(=O)N(C)C)[C@H](O)C1 1100077946 BACPVKHCGFFCIH-UONOGXRCSA-N 309.410 -0.180 30 20 DBED CN(CCNC(=O)Cn1ccccc1=O)c1ccc(C#N)nn1 1100109130 YQPKZHSHFOGLSI-UHFFFAOYSA-N 312.333 -0.237 30 20 DBED CCC(=O)N[C@@H](C)C(=O)NCCN(C)c1cncc(C#N)n1 1100377249 RVLSXHUCOZOPGH-JTQLQIEISA-N 304.354 -0.185 30 20 DBED CC#CCNC1CC(CNC(=O)[C@@H]2CC(=O)N(CCOC)C2)C1 1100377482 BGAWGYWRGUVIMZ-SHARSMKWSA-N 321.421 -0.011 30 20 DBED CNC(=O)NCC(=O)NC[C@@H]1CCCN1c1ccc(C#N)cn1 1100915139 LPLROHRIXYXYOR-LBPRGKRZSA-N 316.365 -0.033 30 20 DBED CNC(=O)NCC(=O)NC[C@@H]1CCN(c2ncccc2C#N)C1 1101066257 QBJCNWILNYFDEA-NSHDSACASA-N 316.365 -0.175 30 20 DBED COCC#CCN1C[C@@H](C)[C@H](CNC(=O)Cn2ncnn2)C1 1101980598 ZSFUUQQMXIUUDY-CHWSQXEVSA-N 306.370 -0.993 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1CCNC(=O)CN1CCCNC1=O 1103184263 MDTDAUXAUUMPOT-CHWSQXEVSA-N 307.398 -0.001 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H]1CN(c2ncccn2)CCO1 1104329781 AIOBCPAGSMAVAS-OLZOCXBDSA-N 304.350 -0.164 30 20 DBED C[C@H](CNc1ccc(C#N)nn1)N(C)C(=O)CS(C)(=O)=O 1104497580 HTULKHQRUKCZEJ-SECBINFHSA-N 311.367 -0.348 30 20 DBED N#CCNCc1cn(C2CN(C(=O)c3cnns3)C2)nn1 1105174206 PCXPABNCRIWGHI-UHFFFAOYSA-N 304.339 -0.560 30 20 DBED N#CCNCc1cn(C2CN(C(=O)c3ccnc(O)c3)C2)nn1 1105211111 HOWNIDCEWLMWGU-UHFFFAOYSA-N 313.321 -0.311 30 20 DBED C[C@H]1CO[C@H](C(=O)N2CC(n3cc(CNCC#N)nn3)C2)C1 1105285427 NFZFHGOCQXYVDW-MFKMUULPSA-N 304.354 -0.300 30 20 DBED Cc1n[nH]cc1C(=O)N1CC(n2cc(CNCC#N)nn2)C1 1105294975 RRMTUSYLMWPGAB-UHFFFAOYSA-N 300.326 -0.380 30 20 DBED Cc1c(C(=O)N(C)CCN(C)c2ccc(C#N)nn2)nnn1C 1105355708 YCZVSFTYPBDWCU-UHFFFAOYSA-N 314.353 -0.006 30 20 DBED C=CCO[C@H](C)C(=O)N1CC(n2cc(CNCC#N)nn2)C1 1105380820 HBLQJDAWVCEXAF-LLVKDONJSA-N 304.354 -0.134 30 20 DBED C#CCCN[C@@H]1C[C@]2(C[C@H]1O)CN(C(=O)C(N)=O)[C@@H]2C(C)C 1105651920 JZTIUXLVPYAZJP-JXFSHQFZSA-N 307.394 -0.539 30 20 DBED N#Cc1cccnc1NC[C@@H](O)CNC(=O)[C@@H]1CCNC(=O)C1 1105789910 ANZCWNITPSMXPO-ZYHUDNBSSA-N 317.349 -0.632 30 20 DBED Cc1nscc1C(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1 1105828338 FOWFOGJGHQKBCB-VIFPVBQESA-N 318.362 -0.262 30 20 DBED N#Cc1cncc(NC[C@@H](O)CNC(=O)c2c[nH]c(C#N)c2)n1 1105830676 JUSAIZCZXFIGLQ-GFCCVEGCSA-N 311.305 -0.249 30 20 DBED Cc1cc[nH]c1C(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1 1105833955 SWBCABHRNOOCAW-JTQLQIEISA-N 300.322 -0.391 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)C23CCN(CC2)C3)nn1 1105917722 NTOIARYUQCTNKH-GFCCVEGCSA-N 316.365 -0.667 30 20 DBED CCOCC1(C(=O)NC[C@@H](O)CN=c2cc[nH]c(C#N)n2)CC1 1106010804 FYZQXODFQGJFEH-NSHDSACASA-N 319.365 -0.524 30 20 DBED C[C@@H](CCNc1ccc(C#N)nn1)NC(=O)Cn1cnnn1 1106194916 JGWWZYVKLNQFJW-VIFPVBQESA-N 301.314 -0.658 30 20 DBED N#Cc1cncc(NC/C=C/CNC(=O)C2CS(=O)(=O)C2)n1 1107358978 QLPWDERNLQYQEQ-OWOJBTEDSA-N 321.362 -0.523 30 20 DBED C=CCNC(=O)CN1CCO[C@@](C)(CNC(=O)C#CC2CC2)C1 1107931220 XANPNPYGDCSPEE-KRWDZBQOSA-N 319.405 -0.091 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)C[C@H]1CCC(=O)N1C 1108037139 MYJQMJNRIYRHGD-GHMZBOCLSA-N 316.365 -0.302 30 20 DBED C[C@@H](CNc1ccc(C#N)nn1)NC(=O)C(=O)NCC(F)F 1108599471 JLYLHPSTPYCSKV-ZETCQYMHSA-N 312.280 -0.354 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)C[C@H]1CCCC(=O)N1 1108788260 DYAUVJHYTKYPJY-WDEREUQCSA-N 316.365 -0.254 30 20 DBED C[C@@H](CNc1ccc(C#N)nn1)NC(=O)c1cn(C)c(=O)cn1 1108793060 SEUWXLYWPXIBIE-VIFPVBQESA-N 313.321 -0.328 30 20 DBED Cc1nc(CC(=O)N[C@@H](C)CN(C)c2ccnc(C#N)n2)n[nH]1 1108954527 AAJAQZVWWSKPCO-VIFPVBQESA-N 314.353 -0.042 30 20 DBED N#Cc1ccc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)CCCC(N)=O)nn1 1109711886 NZORJIONOFUMQY-VPJDZLOFSA-N 314.349 -0.303 30 20 DBED N#Cc1cnc(NC[C@H](NC(=O)[C@@H]2COC(=O)N2)C2CC2)cn1 1109832201 BBFMGCBKCBRXFG-QWRGUYRKSA-N 316.321 -0.237 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cn1ccnc1 1110195182 VRGXQQSAQNPGDV-RDBSUJKOSA-N 315.377 -0.646 30 20 DBED N#Cc1cnc(NC2(CNC(=O)C3(C(N)=O)CC3)CC2)cn1 1110323424 PPMZCGKSTGDZED-UHFFFAOYSA-N 300.322 -0.326 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1ccon1 1110331151 JYINOXOCJORLKT-RTXFEEFZSA-N 302.334 -0.241 30 20 DBED CNC(=O)NCC(=O)NCC1(Nc2ncccc2C#N)CC1 1110380934 MOSBOZJUXJUMBW-UHFFFAOYSA-N 302.338 -0.057 30 20 DBED C#CCNC(=O)CC(=O)N1CCN([C@H](C)c2noc(C)n2)CC1 1112777571 COPDOBLXVQXAME-LLVKDONJSA-N 319.365 -0.277 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)c2cnn3cc[nH]c23)CC1 1113578845 XPRQNURNRQWCCW-UHFFFAOYSA-N 315.337 -0.940 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)c3ccon3)[C@@H]2C1 1113950938 QISMBXHXXGULID-HBNTYKKESA-N 302.334 -0.528 30 20 DBED C=CCOCC(=O)NC1[C@@H]2CN(CCN3CCCC3=O)C[C@@H]12 1114034212 GFIQWCIZHXOBPH-CHWSQXEVSA-N 307.394 -0.142 30 20 DBED COC[C@@H](O)CN1C[C@H]2[C@H](NC(=O)c3c[nH]c(C#N)c3)[C@H]2C1 1114148575 ITHPZOCFMGIAHR-IGQOVBAYSA-N 304.350 -0.446 30 20 DBED C#CCOCCC(=O)N[C@H]1[C@@H]2CN(Cc3cn(C)nn3)C[C@@H]21 1114266742 VXLDSVIDUPZQPY-NHAGDIPZSA-N 303.366 -0.599 30 20 DBED C#CCC1(C(=O)NC2[C@H]3CN(Cc4nnnn4C)C[C@H]23)CCC1 1114394680 GULNDSBNJMPJNQ-RYUDHWBXSA-N 314.393 -0.050 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)c3cnc(O)n3C)[C@H]2C1 1114665715 MZCOEPKININOPE-PJXYFTJBSA-N 304.350 -0.565 30 20 DBED CC(=O)NCC(=O)N[C@H]1C[C@H](CNc2ccc(C#N)nn2)C1 1114733506 IXVKKHIILKTGAO-UMSPYCQHSA-N 302.338 -0.209 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)[C@H]3C[C@H]3C(=O)N(C)C)[C@H]2C1 1114835970 VDJOOSYNOCXHBM-XPABHHOTSA-N 319.405 -0.593 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)[C@H]3CC34CCC4)[C@@H]2C1 1114888987 RREYFMHHNAETMV-JHJVBQTASA-N 301.390 -0.028 30 20 DBED C=CCCOCC(=O)NC1[C@H]2CN(CC(=O)NC(=O)NC)C[C@H]12 1115326774 SSUKQSHCSHQREF-QWRGUYRKSA-N 324.381 -0.919 30 20 DBED CNC(=O)NCCC(=O)N(C)C[C@@H](C)N=c1cc[nH]c(C#N)n1 1115704551 QXHYOCVFNHIDSU-SNVBAGLBSA-N 319.369 -0.652 30 20 DBED C[C@@H](CN(C)C(=O)[C@@H]1CCC(=O)N1)Nc1cncc(C#N)n1 1115787947 NVPCERIKCWQPJY-ONGXEEELSA-N 302.338 -0.114 30 20 DBED O=C(NCCN/C(O)=C1\N=CC=CC1=O)N[C@@H](CO)CC1CC1 1116825565 ILSRHCVICPQMCQ-CLMBFONXSA-N 322.365 -0.027 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)NC[C@H]1CCSC1 1117583821 JDNTYWLGRHFKQA-SNVBAGLBSA-N 320.436 -0.427 30 20 DBED COCC#CC(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 1118759357 PTXVDEAAJBZQAT-UHFFFAOYSA-N 301.350 -0.101 30 20 DBED C[C@@H](CN(C)C(=O)[C@]1(C)CCNC1=O)N=c1cc[nH]c(C#N)n1 1120662450 VSBPCFQOINTXOD-ZUZCIYMTSA-N 316.365 -0.445 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@H](CO)Nc1cncc(C#N)n1 1121405410 NEZRELGWBNJSED-BXUZGUMPSA-N 305.338 -0.436 30 20 DBED CC(C)C#CC(=O)NC[C@@H](CO)Nc1nccn2nnnc12 1121528261 KQKAHGNIQFLTIS-JTQLQIEISA-N 303.326 -0.932 30 20 DBED CC[C@@H](C(=O)NC[C@@H](CO)Nc1cncc(C#N)n1)N(C)C 1121811844 HMQVVZFTZBHZGY-RYUDHWBXSA-N 306.370 -0.423 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)[C@@H]2CCCNC2=O)cn1 1122147248 KQFGIAOMXZQRME-QWHCGFSZSA-N 317.349 -0.632 30 20 DBED CN(C)[C@@H](C(=O)NC[C@@H](CO)Nc1cncc(C#N)n1)C1CC1 1122152036 CMZHTVYLTNLKBE-GXTWGEPZSA-N 318.381 -0.423 30 20 DBED Cc1cc(=N[C@@H](CO)CNC(=O)[C@]2(F)CCOC2)c(C#N)c[nH]1 1122412194 WOQGSYPPYIDDTA-DOMZBBRYSA-N 322.340 -0.299 30 20 DBED C#Cc1cncc(C(=O)NC[C@@H](CO)Nc2nccnc2C#N)c1 1122509019 WHMMKHIQWRHNPN-ZDUSSCGKSA-N 322.328 -0.073 30 20 DBED N#Cc1cccnc1N[C@@H](CO)CNC(=O)[C@@]12COC[C@@H]1C2 1122760167 HGLOAMOMRNHRNJ-ZOWXZIJZSA-N 302.334 -0.121 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)[C@@H](CC)OC 1124572416 CCMAYQHQQFJDLI-WDEREUQCSA-N 314.386 -0.483 30 20 DBED CN(C[C@H](O)CNc1cnc(C#N)cn1)C(=O)[C@@]1(F)CCOC1 1124665107 HNHIKNOESYPRBF-BXUZGUMPSA-N 323.328 -0.292 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)Cc1cc(C)on1 1124999136 HJQXDIKKWMFGKG-UHFFFAOYSA-N 323.353 -0.757 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)CCCC(=O)NC)C1=O 1126015324 FRTOEWKEKUBKGH-GFCCVEGCSA-N 310.398 -0.605 30 20 DBED COCC#CCNCCNC(=O)[C@@H]1CCc2ncncc2C1 1129218130 BJBQORSQZUJEPX-CYBMUJFWSA-N 302.378 -0.063 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1ccc2c(c1)nnn2C 1130275120 SBVYJEQERIQTNV-UHFFFAOYSA-N 314.349 -0.963 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2cncnc2)CC[C@H]1C 1131972712 USMVNKDTIHELCB-OCCSQVGLSA-N 315.377 -0.191 30 20 DBED C#CCN1C[C@H](NC(=O)CN(C)S(=O)(=O)CC)CC[C@@H]1C 1132392546 MESBYLKTKMDYDA-QWHCGFSZSA-N 315.439 -0.130 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@@H](CC1CCC1)NC(C)=O 1132834530 KZJGDLUJGIATRB-CQSZACIVSA-N 324.425 -0.311 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)C1(c2cc(C)no2)CC1 1132840794 OZJWVZGTISTHQS-LBPRGKRZSA-N 318.377 -0.142 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)Cc1cc[nH]n1 1133975449 ZQOXQNJCVNNSGK-RYUDHWBXSA-N 305.382 -0.426 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1cnc(O)cc1OC 1134021078 QSMMRVVRKCOWBE-SNVBAGLBSA-N 320.349 -0.747 30 20 DBED C[C@H](C[C@@H](C)NC(=O)Cc1ccnn1C)NCC(=O)NCC#N 1134223403 FVTHOKGCTYEFGD-VXGBXAGGSA-N 320.397 -0.525 30 20 DBED C=CCn1cc(C(=O)NCCNCc2nc(N(C)C)no2)nn1 1134980318 DJSNEZOEGRQBTB-UHFFFAOYSA-N 320.357 -0.567 30 20 DBED CC#CCN[C@@H](C)C[C@@H](C)NC(=O)CCn1ncn(C)c1=O 1135072009 XLGFHCAWZRNKOM-QWHCGFSZSA-N 307.398 -0.132 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@H]1CCC[C@H]2CCCN21 1135095655 MYEUARJKBYBGLE-UONOGXRCSA-N 306.410 -0.542 30 20 DBED C=CCN[C@@H](C)C[C@@H](C)NC(=O)CCn1cc[nH]c(=O)c1=O 1135688025 YSIOZJLXJCPVHK-NWDGAFQWSA-N 308.382 -0.014 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1cnn(CC(C)C)c1 1135808929 YDVUDMNVGVZWSU-ZDUSSCGKSA-N 319.409 -0.004 30 20 DBED C=CCCOCC(=O)N[C@@H](C)C[C@H](C)NCC(=O)NC(N)=O 1146692400 JNLJJCVUCZSCAN-QWRGUYRKSA-N 314.386 -0.353 30 20 DBED COCC#CCN1CCC2(C1)CN(C(=O)[C@H]1C[C@H]1C(N)=O)C2 1148297855 DNELZIKMIGONCO-OLZOCXBDSA-N 305.378 -0.708 30 20 DBED Cn1ncc(CCC(=O)NC[C@@H]2CN(CC#N)CCCO2)n1 1150324609 KSKGIIDTOQRHKC-CYBMUJFWSA-N 306.370 -0.522 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)CCCc1nc(C)no1 1150962799 GFIOYOLTRLSMSP-LLVKDONJSA-N 321.381 -0.456 30 20 DBED C=CCNC(=O)CN(CC)[C@H](C)CNC(=O)C(C)(C)C(N)=O 1153904603 RLODMCVHEADOPP-LLVKDONJSA-N 312.414 -0.373 30 20 DBED N#Cc1ccc(CNCCCNC(=O)CNC(N)=O)cc1F 1154457298 CZIXENVYQZSAJJ-UHFFFAOYSA-N 307.329 -0.038 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)c1n[nH]c2c1CCC2 1161701551 ZNDKPKIFDNDEKP-LLVKDONJSA-N 317.393 -0.254 30 20 DBED COCC1(CNC(=O)[C@@H]2CCN(C)C2=O)CCN(CC#N)CC1 1162419736 VAZHBFAABPQFAR-ZDUSSCGKSA-N 322.409 -0.167 30 20 DBED O=C1NC[C@H](C(=O)NCCCNCC#Cc2ccc(F)cc2)N1 1165467015 KRBZJCVIQJXDHU-CQSZACIVSA-N 318.352 -0.046 30 20 DBED N#CCNC(=O)CNCC1(CCNC(=O)Cc2cnoc2)CC1 1166787152 FWZGWPHUZDETLJ-UHFFFAOYSA-N 319.365 -0.267 30 20 DBED N#CCNC(=O)CNCCCNC(=O)c1coc(C2CC2)n1 1167742914 CVFNCXJZQPABHL-UHFFFAOYSA-N 305.338 -0.099 30 20 DBED COCC#CCNCCCNC(=O)[C@@H](C1CC1)N1CCOCC1 1176676628 WZIOPBCLDWDJSW-MRXNPFEDSA-N 323.437 -0.157 30 20 DBED O=C(C#CC1CC1)N1CC[C@H]2OCCN(CCOCCO)[C@@H]2C1 1177005691 JHHKKRCOFPVRKI-HZPDHXFCSA-N 322.405 -0.290 30 20 DBED Cn1nccc1C(=O)NCCCCCCNCC(=O)NCC#N 1177995771 BPSVBFYRVBCABE-UHFFFAOYSA-N 320.397 -0.060 30 20 DBED CC#CCN[C@H]1CCN(C(=O)[C@H]2CCN(C)S2(=O)=O)[C@H]1C 1179692491 RFHAAPWZGZBWOY-RWMBFGLXSA-N 313.423 -0.377 30 20 DBED C#CCNC(=O)CNC[C@H]1CCN(C(=O)CCOC)C[C@@H]1C 1183679121 QIXYXLUUKMRELY-UONOGXRCSA-N 309.410 -0.154 30 20 DBED C=CCNC(=O)CNC[C@@H]1CCN(C(=O)CC(=O)NC)C[C@@H]1C 1184242579 XVURALUMZMXMEQ-STQMWFEESA-N 324.425 -0.501 30 20 DBED COCC#CCNC[C@@H]1CCN(C(=O)CCNC(N)=O)C[C@@H]1C 1185661679 FWHGBPJGGZCVHF-KBPBESRZSA-N 324.425 -0.231 30 20 DBED C#CCNC[C@@H]1CN(C(=O)[C@H](C)NC(C)=O)CC12CCOCC2 1186235886 FKPWKRPVWPRLNV-DZGCQCFKSA-N 321.421 -0.011 30 20 DBED C#CCNC[C@@H]1CN(C(=O)Cn2cncn2)CC12CCOCC2 1186553238 OCWZGCHDUZUGAX-CQSZACIVSA-N 317.393 -0.244 30 20 DBED C#CCOCCC(=O)N1CC[C@H]2CN([C@H]3CCCNC3=O)C[C@H]21 1187874181 OFTDFESBIXWSGN-SOUVJXGZSA-N 319.405 -0.162 30 20 DBED CN(CC(=O)NCC#N)[C@H]1CCN(C(=O)C2CCOCC2)C1 1188579292 CNVHNVPXWHKRFZ-ZDUSSCGKSA-N 308.382 -0.415 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)Cc2n[nH]c(C)n2)C1 1190085268 WGPXKFPWFBLGBG-GFCCVEGCSA-N 320.397 -0.509 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC[C@H]2CN(CC(=O)NCC#N)C[C@H]21 1190441456 VBCSVKJMISKGLO-MELADBBJSA-N 320.393 -0.250 30 20 DBED C=CCCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCN(C)C(=O)C2)C1 1194159538 DUPINNBMGNQRPW-BFHYXJOUSA-N 309.410 -0.018 30 20 DBED COCCC1(C(=O)N2CCCN(CC(=O)NCC#N)CC2)CC1 1196100025 KVANJAHUDPDYEL-UHFFFAOYSA-N 322.409 -0.023 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1CN(CCCO)C[C@H]1O 1196692039 RJSVMVRLBDEAAK-MGPQQGTHSA-N 313.398 -0.999 30 20 DBED CCN(C)C(=O)CNC[C@H]1CN(C(=O)[C@@H](C)C#N)CCCO1 1200115596 NTDXMNATSWQLEX-STQMWFEESA-N 310.398 -0.169 30 20 DBED CNC(=O)CNC[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCCO1 1200201269 VTYWRSVIQRSKKW-LBPRGKRZSA-N 319.365 -0.547 30 20 DBED C[C@H](NC[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)CCCO1)C(N)=O 1200284664 YHBMVLPMXVNCBL-CMPLNLGQSA-N 319.365 -0.419 30 20 DBED CC[C@H](F)C(=O)N1CCCO[C@H](CNCC(=O)NCC#N)C1 1201146645 HZFFUHSXVJQWKS-NEPJUHHUSA-N 314.361 -0.419 30 20 DBED C=C(C)CN1C[C@@H](NC(=O)CC[C@@H]2NC(=O)NC2=O)[C@H](C)C1 1210883950 SRJZVHHNHXCPPZ-GRYCIOLGSA-N 308.382 -0.013 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)[C@H]2CCN(C)C2)C1 1211065586 XSHXLKHBAKDRRD-KBPBESRZSA-N 308.426 -0.179 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CN(CCn2cncn2)C[C@H]1OC 1213964215 RPFGMCFGCHXHDQ-BFHYXJOUSA-N 323.397 -0.315 30 20 DBED Cc1nc(O)[nH]c1C(=O)N1C[C@@H](NCC(=O)NCC#N)[C@H](C)C1 1214910984 JANPHGIXOZOVGI-PSASIEDQSA-N 320.353 -0.886 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CCCN(C)C)C[C@H]1C 1215423616 QKVKISQLDXZERF-RBSFLKMASA-N 322.453 -0.097 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@]2(C)CCCOC2)C[C@H]1C 1216090284 CTDLGXODNOLSRJ-CPUCHLNUSA-N 321.421 -0.011 30 20 DBED C#CCCN[C@@H]1CN(C(=O)COCc2nncn2C)C[C@H]1C 1216149477 MRZCXTMPSNPIBB-CHWSQXEVSA-N 305.382 -0.209 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CC12CC2 1218683401 RPTXTCOCNCEYBE-MELADBBJSA-N 317.389 -0.553 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)Cc2ccsc2)C1 1219122975 LMEFQFXNCZUHQC-OLZOCXBDSA-N 321.402 -0.799 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2cc(C)oc2C)C1 1219173590 NQRALCARNPYKIN-KGLIPLIRSA-N 319.361 -0.579 30 20 DBED CC(C)(C)/C=C\C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@@H]1O 1219377534 PCYHILOAHOOPBI-JYYSYOFASA-N 308.382 -0.610 30 20 DBED Cc1cc(NC(=O)CN2C[C@H](O)[C@H](NC(=O)[C@@H](C)C#N)C2)no1 1219379797 ZGERSUWLEVGPKB-GDPRMGEGSA-N 321.337 -0.758 30 20 DBED CCn1cc(CN2C[C@H](O)[C@H](NC(=O)C#CC3CC3)C2)nn1 1219593219 HYBINQSWSNZDIF-KGLIPLIRSA-N 303.366 -0.627 30 20 DBED CC1(C)CC[C@H](C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@@H]2O)C1 1220311575 WJPJMQLQKFTASM-XQQFMLRXSA-N 322.409 -0.386 30 20 DBED CCCCCS(=O)(=O)CC(=O)N[C@@H]1CN(CC#N)C[C@@H]1O 1220747055 XHTMYBKZMPVIJX-NEPJUHHUSA-N 317.411 -0.724 30 20 DBED N#CCNC(=O)CN1CC[C@@H]2CN(C(=O)[C@@]34COC[C@@H]3C4)[C@@H]2C1 1221561955 DBKABZIJRZSCBE-IATRGZMQSA-N 318.377 -0.805 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1CCN(Cc2nnn(C)n2)CC1 1223174175 AOKCLMDVWUQZFS-LBPRGKRZSA-N 320.397 -0.423 30 20 DBED C=CCNC(=O)CN1CCC(CNC(=O)[C@H](C)CC(N)=O)CC1 1224014014 PLSUGPUXFHJOOF-GFCCVEGCSA-N 324.425 -0.372 30 20 DBED C[C@@H](C#N)C(=O)NC1CCN(CC(=O)NC(=O)NC2CC2)CC1 1226626306 XZIPANKWFHIVSO-JTQLQIEISA-N 321.381 -0.285 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC(NC(=O)c2cnn[nH]2)CC1 1228133102 UAPFNFXSLJKKTR-JTQLQIEISA-N 304.354 -0.863 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)NC1CCN([C@H](C)C(N)=O)CC1 1229486463 SPNZBOKWVAYXLC-BXUZGUMPSA-N 324.425 -0.088 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)c1cc(C)ncn1 1233663958 QJYSIRAURUNVPX-CYBMUJFWSA-N 315.377 -0.319 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)c1c[nH]c(C#N)c1 1233741252 IBFQZDLSEKLFFI-CQSZACIVSA-N 313.361 -0.218 30 20 DBED CO[C@@H](C)CCC(=O)N(C)C[C@H]1CCN1CC(=O)NCC#N 1233827677 KETCSDRPRBEHLS-QWHCGFSZSA-N 310.398 -0.026 30 20 DBED C#C[C@@H](C)NC(=O)C(=O)Nc1cccnc1N1CCOCC1 1255507671 BDLLDLRCJUHTFF-LLVKDONJSA-N 302.334 -0.005 30 20 DBED CN1C(=O)CN(NC(=O)C(=O)Nc2ccc(F)cc2C#N)C1=O 1255530302 CHFQSFODOIEELX-UHFFFAOYSA-N 319.252 -0.439 30 20 DBED C=CCN(C(=O)C(=O)N1CCN(CC)C(=O)C1)[C@@H](C)COC 1261624237 PTNBQHFYWHYHJA-LBPRGKRZSA-N 311.382 -0.273 30 20 DBED C=CCOCC(=O)N(C)C[C@H](O)CNC(=O)[C@H]1CCCN1C 1288065983 DHRMNRNQYQLBPJ-CHWSQXEVSA-N 313.398 -0.781 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CCN(CC(=O)Nc2ccon2)C1 1318331490 QEHOIPRHKCUCEM-NWDGAFQWSA-N 320.349 -0.158 30 20 DBED C=CCNC(=O)CNC(=O)Cc1c(C)nc2nc(N)nn2c1C 1320685153 LJSZOWYFNMAGII-UHFFFAOYSA-N 317.353 -0.716 30 20 DBED C#CCC[C@H](O)CNC(=O)C(=O)Nc1ccc(F)c(C(N)=O)c1 1321340330 URUNMPKGZMJUKU-JTQLQIEISA-N 321.308 -0.246 30 20 DBED Cc1ncc2c(n1)CC[C@H](NC(=O)NCC(=O)NCC#N)C2 1323855667 YOUIKTZKIIMRJD-NSHDSACASA-N 302.338 -0.419 30 20 DBED N#CCOc1cccc(NC(=O)C(=O)N2CC[C@@H](C(N)=O)C2)c1 1326776657 NGNZQDKHJUCNGS-SNVBAGLBSA-N 316.317 -0.139 30 20 DBED CC(C)N1CCCN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)CC1 1327022655 FPIUXMZWUYJMFF-MRXNPFEDSA-N 322.409 -0.194 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCO[C@H](COC(C)C)C1 1329100583 UVOTZWBWPKIDOI-ZDUSSCGKSA-N 312.366 -0.595 30 20 DBED N#C[C@@]1(F)CCN(C(=O)C(=O)N2CCO[C@H](C(F)F)C2)C1 1329717944 CMRPUXWFTISZSS-UFBFGSQYSA-N 305.256 -0.057 30 20 DBED C=C(Br)CNC(=O)C(=O)NCC(=O)NOCC 1332840431 BRICTZUVBATGDC-UHFFFAOYSA-N 308.132 -0.805 30 20 DBED C=CCC1(O)CCN(C(=O)C(=O)NC[C@@]2(C)CCC(=O)N2)CC1 1333877499 CIYPFKXGMGRHSR-OAHLLOKOSA-N 323.393 -0.299 30 20 DBED N#C[C@]1(F)CCN(C(=O)C(=O)N2CC[C@H](C3OCCO3)C2)C1 1335045709 KGGSMBAMSCARRH-IINYFYTJSA-N 311.313 -0.328 30 20 DBED C#CC1CCN(c2nnnn2[C@H]2CCN(S(C)(=O)=O)C2)CC1 1337469762 JXPCWNNRJOBEFO-LBPRGKRZSA-N 324.410 -0.271 30 20 DBED CN(C(=O)CCN/C(O)=C1/N=CC=CC1=O)C1[C@@H]2CNC[C@H]12 1346347129 SMUVBNZOLFEVDW-UUUCBCKOSA-N 304.350 -0.421 30 20 DBED Cc1nc(NC(=O)C(=O)NCCn2cnc(C#N)n2)sc1C 1346611319 XIABFKOJLOKMMC-UHFFFAOYSA-N 319.350 -0.022 30 20 DBED C=CCCO[C@@H](C)C(=O)NCCc1nnc2n1CCNC2=O 1347318503 ZTVDTKQOQNMCDW-JTQLQIEISA-N 307.354 -0.339 30 20 DBED CC(C)N1CCCN(C(=O)Cn2cc(C#N)c(O)nc2=O)CC1 1361730765 HMRMCXCBGIZGRR-UHFFFAOYSA-N 319.365 -0.237 30 20 DBED CN(C[C@H]1CCCOC1)C(=O)Cn1cc(C#N)c(O)nc1=O 1361972043 ZYJSZJHHOIMPRY-SNVBAGLBSA-N 306.322 -0.294 30 20 DBED Cc1nn(C)cc1CC(=O)NCCn1cc(C#N)c(O)nc1=O 1363286776 KMUVKXGBMORBKC-UHFFFAOYSA-N 316.321 -0.779 30 20 DBED CS(=O)(=O)CC(=O)NC1CN(Cc2ccc(C#N)cc2)C1 1366916750 MZSKSQRVISFLQM-UHFFFAOYSA-N 307.375 -0.097 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CCCN1C(=O)CNC(=O)C1CC1 1374055577 REDFAMAFHVGSEZ-CMPLNLGQSA-N 306.366 -0.221 30 20 DBED C[C@@H](C#N)C(=O)NCCN1CCN(C(=O)c2cc[nH]n2)CC1 1385571890 OOJDWOOIESQIMI-NSHDSACASA-N 304.354 -0.557 30 20 DBED C[C@H](C#N)C(=O)NCC1CN(C(=O)[C@@H]2CCCN(C(N)=O)C2)C1 1387929130 MTWPPEXIRMOCNC-ZYHUDNBSSA-N 321.381 -0.489 30 20 DBED COCCn1nccc1C(=O)N1CC(CNC(=O)[C@H](C)C#N)C1 1398814769 NXZCWBCZDAVACG-LLVKDONJSA-N 319.365 -0.123 30 20 DBED COCCn1cc(C(=O)NC[C@@H](C)NC(=O)[C@@H](C)C#N)nn1 1408168174 VLVHSUNEPFQWSU-VHSXEESVSA-N 308.342 -0.681 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1snnc1C1CC1 1416769099 LJRGRRXXOCPJQQ-APPZFPTMSA-N 323.378 -0.218 30 20 DBED C[C@@H](C#N)C(=O)NC[C@]1(C)CCN(C(=O)c2cnnn2C)C1 1417365261 LWXGESHZPGRDCS-HZMBPMFUSA-N 304.354 -0.057 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](C1CC1)N(C)C(=O)C1(NC(N)=O)CC1 1424893352 UVPCWYCZUAPACX-GXSJLCMTSA-N 321.381 -0.300 30 20 DBED CO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1NC(=O)CCn1cccn1 1426635698 MUQMHQMNPUBRIM-JHJVBQTASA-N 319.365 -0.225 30 20 DBED CCNC(=O)NC(=O)CN1CCC(C)(NC(=O)[C@@H](C)C#N)CC1 1439798331 RMMNRCLUULLGQH-NSHDSACASA-N 323.397 -0.038 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]1CN(C)C(=O)CCn1ccnn1 1452850625 XMWRRNKUTKDAEF-VXGBXAGGSA-N 304.354 -0.113 30 20 DBED C[C@@H](CNC(=O)c1cnn(CCN(C)C)c1)NC(=O)[C@@H](C)C#N 1452968586 YBSHQWRMGFGWGQ-RYUDHWBXSA-N 320.397 -0.161 30 20 DBED C[C@@H](CN(C)C(=O)CCn1cc(C#N)c(O)nc1=O)C(=O)O 1571097721 DAKXOWDDDFDMNI-QMMMGPOBSA-N 308.294 -0.610 30 20 DBED C=CCCOCC(=O)N1C[C@H]2C[C@H]1[C@@H]2NC(=O)CNC(=O)O 1573360722 WNVAWXXIYCPIGE-GBIKHYSHSA-N 311.338 -0.438 30 20 DBED C=CCOC[C@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)C(=O)O 1573369192 PJCZFVPEGNSGAI-JTQLQIEISA-N 312.282 -0.047 30 20 DBED COC1(OC)CCN(C(=O)[C@](C)(C#N)CC(=O)O)C[C@@H]1O 1574120534 PRRWVMWHHWWCFG-CABZTGNLSA-N 300.311 -0.427 30 20 DBED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2C[C@@H](N)C2)c1 1574735994 SOFRTGGJXBFPAG-TXEJJXNPSA-N 307.375 -0.182 30 20 DBED C#C[C@@H](CO)NCCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 1602689458 RHQUHOLWDKHJOY-NSHDSACASA-N 321.362 -0.776 30 20 DBED C#CCNC(=O)C1CCN([C@H]2CCN(CCC(=O)O)C2=O)CC1 1602720514 WHWNVKSKRGLACV-ZDUSSCGKSA-N 321.377 -0.477 30 20 DBED C[C@H](C(=O)OCC1(C#N)COC1)n1cnc(-c2nn[nH]n2)n1 1603033391 YAIYFDVGICMVRC-SSDOTTSWSA-N 304.270 -0.897 30 20 DBED CON(C(=O)CCn1cc(C#N)c(O)nc1=O)[C@H](C)CC(=O)O 1606987618 UIQKXQRXUWCUNT-MRVPVSSYSA-N 324.293 -0.536 30 20 DBED N#Cc1ncn(CC(=O)N[C@H]2CS(=O)(=O)c3ccccc32)n1 1649727596 POGQPZOAPHPFPO-JTQLQIEISA-N 317.330 -0.205 30 20 DBED C=CCNC(=O)NC(=O)CNCCCN(C)C(=O)c1ccon1 1754360362 VWBFOCDQSGPZSC-UHFFFAOYSA-N 323.353 -0.262 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@H](NC(=O)Cc1ncc[nH]1)C1CC1 1754454476 HFFSYQHIKCWAQI-YPMHNXCESA-N 317.393 -0.426 30 20 DBED Cc1cn(C)nc1C(=O)N[C@]1(C)CCN(CC(=O)NCC#N)C1 1754670961 UAFGCEIKXQUNTL-OAHLLOKOSA-N 318.381 -0.438 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC(O)(CNC(=O)c2nccs2)C1 1754777597 UOFWJZGRLSRBSV-SNVBAGLBSA-N 322.390 -0.943 30 20 DBED C#CCNC(=O)CNCC[C@H]1CCN(C(=O)[C@@H](C)OCC#C)C1 1754914798 MYFQTFGXDJICEO-CABCVRRESA-N 319.405 -0.398 30 20 DBED C=CCNCC1(NC(=O)[C@@H](C)NS(C)(=O)=O)CCOCC1 1755098976 MJQCRWOFBNZTRF-LLVKDONJSA-N 319.427 -0.635 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(CNC(=O)Cc3ccc[nH]3)[C@@H]2C1 1755435761 KYPRWDNTASISFL-GJZGRUSLSA-N 314.389 -0.399 30 20 DBED COCC#CCNC[C@H]1C[C@H](NC(=O)C[C@@H](C)NC(N)=O)C1 1755471551 WRJSHJXHDVZIQQ-JHJVBQTASA-N 310.398 -0.433 30 20 DBED CC#CCNC[C@H](O)CN(C)C(=O)[C@@H]1CCc2c[nH]nc2C1 1755796449 QSVHJVYEZBJQJH-OCCSQVGLSA-N 304.394 -0.053 30 20 DBED C=C[C@@](C)(CC)C(=O)N(C)C[C@H](O)CNC(=O)c1cnnn1C 1756675342 CGVVGPBXQRFHKB-ABAIWWIYSA-N 323.397 -0.034 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn(C)c(O)n2)C1 1757031798 PDQOBIASVRBIEZ-MWLCHTKSSA-N 308.338 -0.607 30 20 DBED C=CCOCC(=O)N1CC[C@@H](NC(=O)c2cnccn2)[C@H](O)C1 1757560755 ZEWKVFQFZJHVOV-DGCLKSJQSA-N 320.349 -0.629 30 20 DBED CC[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)C#N 1792629472 FPPUFBMGZGCVOE-YVECIDJPSA-N 323.393 -0.103 30 20 DBED N#CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccn1)C2 1795078075 QARDHVDTCKBBPV-GNXNZQSNSA-N 315.333 -0.407 30 20 DBED N#CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NNC(=O)C1 1798370537 ROYJUMXKDLGWSN-ILWJIGKKSA-N 303.322 -0.586 30 20 DBED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)CN)C3)C2)C1 1829667034 QYHJXDPXGWNXEC-MRXNPFEDSA-N 323.393 -0.632 30 20 DBED C[C@@H](C(=O)N1CCCC12CN(C(=O)CC#N)C2)n1cnnn1 1846644606 IFPLQYFNQIWNEZ-JTQLQIEISA-N 303.326 -0.649 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CCC(N)=O 1847804288 GRITUIBKEHGWFL-AVGNSLFASA-N 321.377 -0.508 30 20 DBED CN(Cc1nc(N)nc(N)n1)S(=O)(=O)c1ccc(C#N)cc1 54235091 BDLYCSYOUCOQDF-UHFFFAOYSA-N 319.350 -0.272 30 20 DBED Cn1c(N)c(C(=O)CN2CCC(C#N)CC2)c(=O)n(C)c1=O 57908169 SYIBWRKQKUPHSV-UHFFFAOYSA-N 305.338 -0.916 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)NCCCC)c1=O 60891996 WXJPYFGJAMRHJW-UHFFFAOYSA-N 322.365 -0.540 30 20 DBED CC(C)[C@@H]1CN(C)CCN1c1c(C#N)c(=O)n(C)c(=O)n1C 78022671 PWNZDYQYQSEDOK-LBPRGKRZSA-N 305.382 -0.268 30 20 DBED CCS(=O)(=O)NCCN(CCC#N)CCN1CCOCC1 81515442 IWJQXFQFLVGYDJ-UHFFFAOYSA-N 318.443 -0.526 30 20 DBED CN(C)C[C@@](C)(O)CNC(=O)C(=O)Nc1cccc(C#N)c1 131984176 SRMNGUDFBXAFND-HNNXBMFYSA-N 304.350 -0.074 30 20 DBED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCO[C@@H](C#N)C2)CC1 246217271 ZFWWDKNBNDHPOK-GJZGRUSLSA-N 319.409 -0.097 30 20 DBED CO/N=C(/C(=O)N1CC[C@@]2(C1)NC(=O)N(C)C2=O)c1ccco1 266846236 PYBHQJFUJVFERH-KNGSKEOJSA-N 320.305 -0.217 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N[C@@H]1CCN(C(C)C)C1=O 272889110 XMICVALBVUSIII-LLVKDONJSA-N 317.411 -0.104 30 20 DBED CNC(=O)[C@H](NC(=O)CO/N=C(\N)CCO)c1ccccc1 275521993 OOJWAZXTLQCGBG-CYBMUJFWSA-N 308.338 -0.739 30 20 DBED COCC[C@H](CO)NC(=O)CNC(=O)c1ccc(C#N)cc1 281143203 AHUBGVUFVOGEQN-CYBMUJFWSA-N 305.334 -0.198 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCO[C@@H]3CCC[C@@H]32)C1=O 299709284 RYGGBKALSIARJU-WDEREUQCSA-N 321.333 -0.257 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@@H](N)CC(F)F)CC1 313833822 OMJVVNLMRGHQLY-JTQLQIEISA-N 304.341 -0.585 30 20 DBED Cn1c(=O)c2cc(/C(O)=N/[C@@H]3CN=C(O)C3)cnc2n(C)c1=O 329413261 DRPFSBYHSDGPSV-QMMMGPOBSA-N 317.305 -0.334 30 20 DBED COC(=O)C[C@H]1CN(S(=O)(=O)N(C)C[C@@H](C)C#N)CCO1 336937883 HBRNRQFMXUSWJD-QWRGUYRKSA-N 319.383 -0.413 30 20 DBED COC(=O)[C@@H]1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)[C@H]1C 337174197 HQWRVCKXMYVBHP-HBNTYKKESA-N 317.367 -0.661 30 20 DBED COc1ccc(C#N)cc1NC(=O)C(=O)NC[C@]1(O)CCOC1 339147556 FSCYYEYDWPILFR-OAHLLOKOSA-N 319.317 -0.227 30 20 DBED C=CC[C@@H](CO)CNC(=O)CN(C)[C@H]1CCS(=O)(=O)C1 342414029 SDVLFLQOZPHJMZ-NEPJUHHUSA-N 304.412 -0.594 30 20 DBED C=CCNC(=O)CNC(=O)NC[C@@H]1CCCCS1(=O)=O 343928267 NTYXVTFWZBUALF-JTQLQIEISA-N 303.384 -0.445 30 20 DBED CNC(=O)c1cccc(CCNC(=O)NCC(=O)NCC#N)c1 344846351 LRADXKZFDSAKIS-UHFFFAOYSA-N 317.349 -0.472 30 20 DBED C=C[C@](C)(O)CC(=O)N(CCOC)[C@H]1CCS(=O)(=O)C1 346351352 GIPHTZIMYITFQW-AAEUAGOBSA-N 305.396 -0.024 30 20 DBED C=CCNC(=O)Cc1noc(CN2CCN(CC)C(=O)C2=O)n1 350705600 ZQFXKRVMOJVUIZ-UHFFFAOYSA-N 321.337 -0.895 30 20 DBED N#CCNC(=O)CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] 352513138 VFKYBAKJHWHOIK-UHFFFAOYSA-N 316.270 -0.348 30 20 DBED C=CCNC(=O)CN1CC(C(=O)NC(CC)(CC)C(N)=O)C1 353205217 PFYPMJBINSFOLC-UHFFFAOYSA-N 310.398 -0.619 30 20 DBED CCOC(=O)[C@H](CO)NC(=O)CNC(=O)c1ccc(C#N)cc1 353782609 VAPJRPBJBLUNGR-LBPRGKRZSA-N 319.317 -0.672 30 20 DBED N#Cc1ccc(C(=O)CNC(=O)Cn2ccc(O)nc2=O)cc1 356177539 AZDHUIIHBNAMDK-UHFFFAOYSA-N 312.285 -0.180 30 20 DBED CN(CCC#N)S(=O)(=O)N1CCC[C@@]2(CNC(=O)C2)C1 360751208 RHJKQJFYDNSIBV-GFCCVEGCSA-N 300.384 -0.321 30 20 DBED COCCNCCNC(=O)C(=O)NCC#Cc1cccc(F)c1 419684621 YYUKDLSVIWDKMF-UHFFFAOYSA-N 321.352 -0.354 30 20 DBED C#CCNC(=O)CCN1CCC[C@H](CNS(C)(=O)=O)C1 491200533 AMIAPWSMVBHPBP-GFCCVEGCSA-N 301.412 -0.613 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CS[C@@H](C)C2)C1=O 516956822 SQANHJPGRQAEQZ-IUCAKERBSA-N 311.363 -0.027 30 20 DBED C[C@]1(C2CC2)NC(=O)N(CC(=O)N[C@@]2(C#N)CCOC2)C1=O 547490148 FKYOFNVDQVINGL-ZIAGYGMSSA-N 306.322 -0.494 30 20 DBED C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCC(=O)N1CCNCC1 559142909 RYTMHIBUHADBKK-GFCCVEGCSA-N 316.361 -0.126 30 20 DBED CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCC#CCO 561950761 IWHNECNJGBQHFC-GFCCVEGCSA-N 302.396 -0.307 30 20 DBED CC(=O)N1CCN(C(=O)C(=O)Nc2cccc(C#N)n2)[C@@H](C)C1 575921821 SYKZPQMJQACGKH-JTQLQIEISA-N 315.333 -0.029 30 20 DBED COCCN(CCOC)S(=O)(=O)N1CC[C@@](O)(CC#N)C1 592073436 NTGQTCOQWVXREX-LBPRGKRZSA-N 321.399 -0.824 30 20 DBED CO[C@@]1(C)C[C@H]1NC(=O)C(=O)Nc1cc(C)n(CCC#N)n1 595221505 FNGRFAUSPSJBRE-YGRLFVJLSA-N 305.338 0.337 30 20 DBED CCOC(=O)CNC(=O)[C@H]1COCCN1C(=O)[C@H](C#N)CC 597631992 OUURODSKKWJGFB-WDEREUQCSA-N 311.338 -0.557 30 20 DBED CC1(C)C[C@@]1(C#N)NC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1 597670244 OQMJIZOJOZEWIE-SKDRFNHKSA-N 300.384 -0.290 30 20 DBED CNS(=O)(=O)CCNC[C@@H](O)COc1ccccc1C#N 600736365 XZJOXHHXUGSIGH-GFCCVEGCSA-N 313.379 -0.563 30 20 DBED N#CC1(CNC(=O)N[C@H]2CCN(CCN3CCOCC3)C2)CC1 619529236 LTZLCSLMTZHTOY-AWEZNQCLSA-N 321.425 -0.004 30 20 DBED C=CCNC(=O)CNC(=O)c1c(C)oc(C)c1S(N)(=O)=O 679119262 DVGDWHOEKLINAC-UHFFFAOYSA-N 315.351 -0.424 30 20 DBED C#C[C@@H](NC(=O)C(=O)NCc1c(C)nn(C)c1C)[C@H]1CCCO1 788355293 LHNHUJPPSUBNAJ-ZIAGYGMSSA-N 318.377 -0.050 30 20 DBED C#CCNS(=O)(=O)N1CCN(C[C@H](O)CCC(C)C)CC1 796451883 ZGJPOGYHKRBPGW-CQSZACIVSA-N 317.455 -0.131 30 20 DBED C#CCC[C@@H](O)CNC(=O)CN1C(=O)NC(CC)(CC)C1=O 799080733 MNBWDUHSRKOZBD-LLVKDONJSA-N 309.366 -0.013 30 20 DBED Cc1ccc(NN=Cc2c(N(C)C)n(C)c(=O)n(C)c2=O)nn1 807969892 NTYOVKFFIUSTIY-UHFFFAOYSA-N 317.353 -0.306 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCN(C2CCC2)CC1)[C@@H]1CCCO1 809307493 DREQNDZDPHZGGC-GJZGRUSLSA-N 319.405 -0.020 30 20 DBED C#CCC[C@@H](O)CNC(=O)c1ccc2c(c1)NC(=O)CNC2=O 816566863 JMKDHIQHFAVOJT-LLVKDONJSA-N 315.329 -0.127 30 20 DBED NS(=O)(=O)c1ccc(NN=C2CCN(CCO)CC2)nc1 819806044 IUWMTJZAFHHNDX-UHFFFAOYSA-N 313.383 -0.415 30 20 DBED CC(C)[C@@](C)(C#N)NC(=O)Cn1cnc(-c2nn[nH]n2)c1C#N 824185396 YLLCNISZWNONNM-CYBMUJFWSA-N 313.325 -0.011 30 20 DBED C#C[C@@H](NC(=O)N1CC(S(=O)(=O)CC)C1)[C@@H]1CCCO1 854004506 SRDYFUMUPPVTBZ-NEPJUHHUSA-N 300.380 -0.004 30 20 DBED C#CCCN(CCOC)C(=O)c1cn(CC(=O)N(C)C)nn1 856387317 AEICMKYUFRLSSC-UHFFFAOYSA-N 307.354 -0.522 30 20 DBED COCCN(C)CCN1C[C@H](NC(=O)C#CC2CC2)CC1=O 868388413 UCSAWKFKEBNQMK-CQSZACIVSA-N 307.394 -0.305 30 20 DBED C#CC1(O)CN(C(=O)c2cn(CC(=O)OC(C)(C)C)nn2)C1 890527662 KBZYNGBMDZPLCV-UHFFFAOYSA-N 306.322 -0.560 30 20 DBED C[C@@H](NS(=O)(=O)c1ccc(C#N)nc1)[C@H]1CN(C)CCN1C 920010644 QHZQZWOZDAYUTI-BXUZGUMPSA-N 323.422 -0.134 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H]2COC[C@H]2C)C1=O 932090163 WMNAFNZYASPLKR-WOPDTQHZSA-N 309.366 -0.617 30 20 DBED C#CC1(O)CN(C[C@@H](O)CN2C(=O)c3ccccc3C2=O)C1 934442630 WWSFADIFGSKWBU-LLVKDONJSA-N 300.314 -0.677 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](N(C)C(=O)C(N)=O)C1 938597003 FCNMQIIEPNABQN-SRVKXCTJSA-N 309.366 -0.488 30 20 DBED O=C(NC[C@@H]1CN(C(=O)C#CC2CC2)CCO1)[C@H]1COCCO1 944490469 YEPRJTWVAUDUSR-ZIAGYGMSSA-N 322.361 -0.841 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@H](CNC(=O)c2cnns2)C1 944494786 GYNCJBLFYXQVMK-RKDXNWHRSA-N 309.351 -0.345 30 20 DBED C#CCN1CC[C@H](NC(=O)c2nccnc2C(N)=O)[C@@H](C)C1 944812007 ROPLSBALWZEHFQ-QWRGUYRKSA-N 301.350 -0.351 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@@H]3CN(C(=O)C(N)=O)CC[C@H]32)c1 946026644 ZSOWDECHRZONIW-ZYHUDNBSSA-N 315.333 -0.565 30 20 DBED C#CCCN1CC[C@H](NC(=O)CN2CCNC(=O)C2)C[C@@H]1C 947621905 XUEHIXPVFLJCSZ-KBPBESRZSA-N 306.410 -0.589 30 20 DBED CC#CCN1CC[C@H](NC(=O)CN2C(=O)CN(C)C2=O)C[C@@H]1C 948010311 AASZVLLXWZTAPC-STQMWFEESA-N 320.393 -0.127 30 20 DBED O=C(NC[C@H]1CCN1C(=O)C#CC1CC1)c1ccc(O)nn1 948849266 DEARFCWKZJVDNP-LLVKDONJSA-N 300.318 -0.074 30 20 DBED C=CCCn1cc(C(=O)N[C@H]2CCCN(C(=O)C(N)=O)C2)nn1 951858555 PLDYSIIAKROENP-JTQLQIEISA-N 320.353 -0.940 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@@H]2CNC(=O)[C@H]2C[C@H]2C(N)=O)c1 952161866 KORFNOFBEOIDTN-MXWKQRLJSA-N 315.333 -0.662 30 20 DBED C#CCN1CC(N(CC)C(=O)C2CC3(C2)NC(=O)NC3=O)C1 953833578 LOCVZYIZAGPHHK-UHFFFAOYSA-N 304.350 -0.860 30 20 DBED N#CCN1C[C@@H](O)[C@@H](CNC(=O)c2ccc3c(n2)OCCO3)C1 958214770 MFMBZHXATHJQRC-CMPLNLGQSA-N 318.333 -0.601 30 20 DBED C#CCCN1C[C@H](O)[C@H](CNC(=O)c2cnc3nccn3c2)C1 958254968 UABWEUWCGANNOB-OCCSQVGLSA-N 313.361 -0.225 30 20 DBED CCc1cc(C(=O)NC[C@@H]2CN(CC#N)C[C@H]2O)cc(O)n1 958267369 MXCMLNDCSHMQAW-DGCLKSJQSA-N 304.350 -0.104 30 20 DBED N#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cnc3n2CCCC3)C1 958345659 QDMLGKBQGZAEPT-WCQYABFASA-N 303.366 -0.235 30 20 DBED C#CCN1C[C@H](CNC(=O)c2ccc3nc(O)[nH]c3c2)[C@@H](O)C1 958447729 JCROBYZVZKMVAL-FZMZJTMJSA-N 314.345 -0.076 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)c2ccc(F)nc2)C1 961923670 MOPVXLQPEQHYQS-GDPRMGEGSA-N 306.297 -0.318 30 20 DBED O=C(Cc1cccnc1)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 962301707 PCTNFSRGNZSLEU-CABCVRRESA-N 313.357 -0.275 30 20 DBED C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2nnc(O)nc2O)C1 967258309 PKIPRUDOYZVYRM-NXEZZACHSA-N 305.338 -0.254 30 20 DBED C#CCCN1CC[C@H](C)[C@H](NC(=O)CN2C(=O)CCC2=O)C1 968631660 INBULUFZRKNTCJ-QWHCGFSZSA-N 305.378 -0.015 30 20 DBED C#CCN1C[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C(C)(C)C1 974657301 NRGOVPXXBIUKPA-LBPRGKRZSA-N 318.377 -0.993 30 20 DBED N#CCN1C[C@H]2[C@H](CNC(=O)[C@@H]3CCCN(C(N)=O)C3)[C@H]2C1 978430268 HBIWOZRCMIQUDM-LPWJVIDDSA-N 305.382 -0.405 30 20 DBED CCO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1CNC(=O)c1nc[nH]n1 983253591 QISLAMKHRBURND-GMTAPVOTSA-N 320.353 -0.442 30 20 DBED C#CCN(C)C1CCN(C(=O)[C@@H]2COCCN2C(C)=O)CC1 985800239 YQJWADSKIDHLBR-HNNXBMFYSA-N 307.394 -0.210 30 20 DBED C#Cc1ccc(C(=O)N2CC(NC(=O)c3ccc(O)nn3)C2)cn1 990151888 INFKMCILDZDJIB-UHFFFAOYSA-N 323.312 -0.187 30 20 DBED C=CCn1cc(C(=O)NC2CN(C(=O)[C@H]3C[C@H]3OCC)C2)nn1 991673300 LGVNRRQZGWVQCU-WCQYABFASA-N 319.365 -0.170 30 20 DBED C[C@H]1CC(=O)N[C@@H](C(=O)NC2CN(C(=O)C#CC3CC3)C2)C1 992056039 FFJUCASYAPDJTC-ZWNOBZJWSA-N 303.362 -0.359 30 20 DBED C#CCN[C@@H]1CCC[C@H]2CN(C(=O)CN3C(=O)CCC3=O)C[C@@H]21 992919047 UEJNWRICZGFNST-MELADBBJSA-N 317.389 -0.015 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC(NC(=O)[C@@H]3CCCNC3=O)C2)c1 994005833 XCBZNLNUDGXSTC-LLVKDONJSA-N 315.333 -0.647 30 20 DBED C[C@H](C#N)C(=O)N1CCOC2(CCC(NC(=O)C(N)=O)CC2)C1 994742356 GUQLNTHFOMKVNX-RWWNRMGGSA-N 322.365 -0.712 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC(NC(=O)C[C@H]3CCC(=O)N3)C2)c1 995386126 ZTHNWRXYHMAECA-SNVBAGLBSA-N 315.333 -0.504 30 20 DBED C#Cc1cncc(C(=O)NC2CN(C(=O)[C@@H]3CCN(C)C3)C2)c1 999319898 NXDNSJJICXDWOO-CYBMUJFWSA-N 312.373 -0.045 30 20 DBED C=CCN1CC=C(CNC(=O)[C@H]2CCN(C)S2(=O)=O)CC1 1001255263 WRBDMTBCRCVZPA-CYBMUJFWSA-N 313.423 -0.045 30 20 DBED C[C@@H](C#N)C(=O)N1CC(CNC(=O)[C@@H]2CCc3nn[nH]c3C2)C1 1003315960 ZMBNXMYBCQGWIE-GXSJLCMTSA-N 316.365 -0.356 30 20 DBED C=CCN1CCC(NC(=O)C2CC3(C2)NC(=O)NC3=O)CC1 1003780915 WVGUKKOPCLGQBX-UHFFFAOYSA-N 306.366 -0.259 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCC1CN(C(=O)c2ncn(C)n2)C1 1004521779 RIRJASHWPQTZQI-NEPJUHHUSA-N 319.365 -0.406 30 20 DBED N#Cc1cc(C(=O)NC[C@H]2[C@@H]3CN(C(=O)CC(N)=O)C[C@H]23)c[nH]1 1008961397 FYDIKXCHANOWOC-CNDDSTCGSA-N 315.333 -0.804 30 20 DBED C[C@H]1C[C@H](NC(=O)Cn2nccn2)CN1C(=O)C#CC1CC1 1012589286 WQSNXYNHEUXDLL-AAEUAGOBSA-N 301.350 -0.203 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2ccc(S(N)(=O)=O)o2)C1 1015082805 FBSAUXRCGVLJJR-JTQLQIEISA-N 311.363 -0.246 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCN([C@@H]3CCNC3=O)C2)nn1 1015811461 GWJIZEDSCHBSSE-ZYHUDNBSSA-N 304.354 -0.843 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2CN(C(C)=O)CCCO2)nn1 1019591294 ZVMNYOBPVJBCSG-GFCCVEGCSA-N 307.354 -0.169 30 20 DBED C[C@@H](C#N)C(=O)N1CCCO[C@@H](CNC(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1019646932 VQJLABBRVNWTBR-QSLWVIQJSA-N 321.377 -0.228 30 20 DBED COCCN1C[C@H](C(=O)NC[C@H]2CCCCN2CC#N)CC1=O 1024468335 MUMCDJGEYUSCFU-ZIAGYGMSSA-N 322.409 -0.024 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)c3cnnn3C)C2)C1=O 1030270001 MVTXECJOBKCTOJ-NSHDSACASA-N 304.354 -0.984 30 20 DBED C#CCN1CCC(C(=O)N2C[C@@H]3C[C@H]2CN3CC(=O)NC)CC1 1032800740 XNAVBXVRLBSYPE-GJZGRUSLSA-N 318.421 -0.637 30 20 DBED N#CCN1CCO[C@H](CNC(=O)[C@@H]2CCCN2C(=O)C2CC2)C1 1035544282 YWDYQPZJMSTZRS-KGLIPLIRSA-N 320.393 -0.272 30 20 DBED CC#CCN1CCO[C@H](CNC(=O)[C@@H]2CCCN2C(C)=O)C1 1035589339 PESKTWWYALQCMD-CABCVRRESA-N 307.394 -0.162 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2CCN2Cc2n[nH]c(C)n2)nn1 1038791441 POWNIRKFJHBCPV-NSHDSACASA-N 316.369 -0.105 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@]1(O)CCN(C(=O)C2CCC2)C1 1039720775 DVLAGAKOHJPGMG-WBMJQRKESA-N 308.378 -0.096 30 20 DBED C=C1CC(C)(C(=O)NC[C@@]2(O)CCN(C(=O)c3nc[nH]n3)C2)C1 1040850048 JDYNLHYWKUGVJK-HNNXBMFYSA-N 319.365 -0.146 30 20 DBED C=C1CC(C)(C(=O)NC[C@@]2(O)CCN(C(=O)c3cnn[nH]3)C2)C1 1040857952 VMBNIEMSZKGHNZ-HNNXBMFYSA-N 319.365 -0.146 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(O)(CNC(=O)c2cnccn2)C1 1041257570 FQBNVGWRZJRLDC-CQSZACIVSA-N 320.349 -0.893 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)c2cnn(C)c2)C1 1041415734 NJSVFFCMANQHOL-UHFFFAOYSA-N 306.366 -0.065 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2cccn2C)C1 1041508419 HYBSHRZCNBBSFY-LBPRGKRZSA-N 321.377 -0.081 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)c2ncc(OC)cn2)C1 1041956545 PJLXATSXCSNGOZ-UHFFFAOYSA-N 320.349 -0.246 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)C(=O)C(C)(C)C)C1 1042159028 MLIMKVGGNXSMJY-LLVKDONJSA-N 324.377 -0.671 30 20 DBED C=CCCOCC(=O)N1CC(O)(CNC(=O)c2ocnc2C)C1 1042368375 KVTKTFCYIQUYMR-UHFFFAOYSA-N 323.349 -0.121 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCC(=O)N2C)C1 1042806569 IABQQHGKVQOJJC-LBPRGKRZSA-N 321.377 -0.900 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(O)CN(C(=O)c2cnco2)C1 1042813431 XJNOWVPCFISOFD-CYBMUJFWSA-N 309.322 -0.695 30 20 DBED CCc1oncc1C(=O)NCC1(O)CN(C(=O)[C@@H](C)C#N)C1 1043088582 KXLXBDINHFBBBP-VIFPVBQESA-N 306.322 -0.300 30 20 DBED C=C[C@H](C)[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2cnn(C)n2)C1 1043891249 SALQOWPZXAEAIA-WDEREUQCSA-N 321.381 -0.424 30 20 DBED Cn1ccc(C(=O)N[C@@H]2CN(c3cnc(C#N)cn3)C[C@@H]2O)c1 1043909505 VZHXCWFRYJQAHX-OLZOCXBDSA-N 312.333 -0.334 30 20 DBED C=CCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1045010470 SWNIHLNFQXXMFO-IMRBUKKESA-N 308.378 -0.075 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)[C@@H]2CCCCN2C)C1 1045565453 XPVYKEYYMMRVBN-RYUDHWBXSA-N 308.382 -0.680 30 20 DBED C#CCN1CC[C@@H](N2CCN(C(=O)Cc3n[nH]c(C)n3)CC2)C1 1046029484 URSYMEYNDKKLIC-CQSZACIVSA-N 316.409 -0.493 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)CC(C)(F)F)C1 1046173297 LOPCNDCOAYACME-JTQLQIEISA-N 318.320 -0.241 30 20 DBED C#CCCN1CC[C@](C)(NC(=O)[C@@H]2CN(C(C)=O)CCO2)C1 1046815203 QAMFOZQUIGSHCZ-HOCLYGCPSA-N 307.394 -0.162 30 20 DBED C=CCn1cc(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)CCC)C2)nn1 1048064914 JYOHQKBWGKMBLU-STQMWFEESA-N 321.381 -0.092 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)COCC)C1 1048123952 SSVKPZBHECOGDV-RYUDHWBXSA-N 300.355 -0.744 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2COCCO2)C1 1048328295 YIWFVQXCAIZBJN-AVGNSLFASA-N 312.366 -0.602 30 20 DBED C=C[C@@](C)(O)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cocn2)C1 1048543921 RLEWJMZZUSEIGK-SLEUVZQESA-N 323.349 -0.355 30 20 DBED C#CCN1C[C@H]2CN(C(=O)[C@@H]3CCc4nnnn4CC3)C[C@H]2C1 1049073220 HGIXPWVTWQEXDZ-MCIONIFRSA-N 314.393 -0.351 30 20 DBED CNC(=O)CN1CCOC[C@H]1CNC(=O)c1cc(C#N)c[nH]1 1050864559 DLSOAFLBYVDTST-LLVKDONJSA-N 305.338 -0.937 30 20 DBED C=C(Cl)CN1CCOC[C@@H]1CNC(=O)C1CS(=O)(=O)C1 1050936603 KTBFUCUGFFSMKD-NSHDSACASA-N 322.814 -0.400 30 20 DBED C[C@@]1(C(=O)N2CCOC3(CN(CC#N)C3)C2)CCNC(=O)C1 1053305482 BCEPZGMVUQJBPB-CQSZACIVSA-N 306.366 -0.661 30 20 DBED N#CCN1CC2(CC[C@H](CNC(=O)[C@@H]3CCCN3C(N)=O)O2)C1 1053704864 QKLWKMDNTNYFDC-NEPJUHHUSA-N 321.381 -0.597 30 20 DBED Cn1cccc(C(=O)N[C@@H]2COC3(C2)CN(CC#N)C3)c1=O 1053986142 IXBRJEJTTUVUBR-NSHDSACASA-N 302.334 -0.518 30 20 DBED C#CCNC(=O)CC(=O)N[C@@]1(CO)CCCN(C(=O)CC)C1 1055895142 OLYZLVLKTZGNCJ-HNNXBMFYSA-N 309.366 -0.994 30 20 DBED Cc1nsc(N2CCN(C(=O)c3nnn(C)n3)CC2)c1C#N 1055979405 IMTGWYSECQVGNM-UHFFFAOYSA-N 318.366 -0.191 30 20 DBED Cc1cc(N2CCN(C(=O)[C@@H]3CNC(=O)N3)CC2)c(C#N)cn1 1055998304 BDHOQEPFHMHCPF-LBPRGKRZSA-N 314.349 -0.408 30 20 DBED CCn1cc(C(=O)N(CCO)CCNC(=O)[C@H](C)C#N)cn1 1057231704 HMICKOYBWCMGGJ-LLVKDONJSA-N 307.354 -0.387 30 20 DBED C#CCOCCC(=O)NCCN(CCO)C(=O)/C=C/C1CC1 1057271448 NJCMBNSDFMPMGC-AATRIKPKSA-N 308.378 -0.070 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)[C@@H]1CCCNC1=O 1057444991 BNLRPJIFJCPZDR-CYBMUJFWSA-N 323.393 -0.747 30 20 DBED N#Cc1c[nH]c(C(=O)NCCN(CCO)C(=O)c2ncc[nH]2)c1 1057518996 HRKHOPMJPMZGML-UHFFFAOYSA-N 316.321 -0.526 30 20 DBED C=C(Cl)C(C)(C)C(=O)N(CCO)CCNC(=O)C(N)=O 1057692329 BBAVHJSGKKBUKS-UHFFFAOYSA-N 305.762 -0.813 30 20 DBED Cc1ccc(C#N)c(N2CC[C@H](NC(=O)Cn3cnnn3)C2)n1 1058306990 VXVUCGAUFVAEOB-LBPRGKRZSA-N 312.337 -0.357 30 20 DBED C=C[C@@H](C)[C@@H](C)C(=O)N(CCO)CCNC(=O)c1nnn(C)n1 1058437350 BPZUKZBNYSDOPE-GHMZBOCLSA-N 324.385 -0.781 30 20 DBED CN1CCOC[C@H]1C(=O)N1CC[C@H](Nc2ccc(C#N)nn2)C1 1058855006 OQCOCZDDCRFQJD-STQMWFEESA-N 316.365 -0.308 30 20 DBED N#Cc1cncc(N[C@@H]2CC[C@H]3CN(C(=O)CC(N)=O)C[C@@H]32)n1 1060522554 AQUHRVQWZCPOGM-ZMLRMANQSA-N 314.349 -0.127 30 20 DBED C#CCOCCC(=O)N1CC2(CCN(C(=O)CC(N)=O)CC2)C1 1061008552 GUPANNLTTZWYSO-UHFFFAOYSA-N 321.377 -0.647 30 20 DBED C=CCO[C@H](C)C(=O)N1CCC2(CC1)CN(C(=O)C(N)=O)C2 1061109549 QRPXPQGJVJWXAM-LLVKDONJSA-N 309.366 -0.486 30 20 DBED C=CCOCC(=O)NC[C@H]1COCCN1C(=O)COCC=C 1061421080 IHVJEHGURDXFNO-ZDUSSCGKSA-N 312.366 -0.265 30 20 DBED C=CCOCC(=O)NC[C@@H]1COCCN1C(=O)c1ccn(C)n1 1061424444 UTEVBPGDLTXWGY-GFCCVEGCSA-N 322.365 -0.420 30 20 DBED COCCOCC(=O)NC[C@@H]1COCCN1C(=O)C#CC1CC1 1061437710 ZKYLGUQLHKIAHV-CQSZACIVSA-N 324.377 -0.594 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H]1COCCN1C(=O)/C(C)=C\C 1061514978 HDZCMYDKRAYLIE-XLVZXTRVSA-N 321.377 -0.564 30 20 DBED CC(=O)N(C)CC(=O)N1CCOC[C@H]1CNC(=O)C#CC1CC1 1061569380 DJTAYODUYDFAHK-CQSZACIVSA-N 321.377 -0.778 30 20 DBED CCc1nc(C#N)cc(N2C[C@@H]3C[C@H]2CN3C(=O)CC(N)=O)n1 1062462990 VSTPRPQDCNUGES-QWRGUYRKSA-N 314.349 -0.424 30 20 DBED N#Cc1cncc(N2C[C@@H]3C[C@H]2CN3C(=O)Cc2nc[nH]n2)n1 1062527834 KEMGWDMBPYXJOF-QWRGUYRKSA-N 310.321 -0.501 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H]1CCCC[C@@H]1NC(=O)C(N)=O 1064189763 TVLKKNOPRLJMKF-GWCFXTLKSA-N 301.350 -0.053 30 20 DBED N#Cc1nccc(N2CC[C@H]3CCN(C(=O)C(N)=O)C[C@H]32)n1 1064699383 UFORZZVWHRLEBS-NXEZZACHSA-N 300.322 -0.739 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)CN(C)C(C)=O)CCO1 1064882570 FOZMJOXRPBAZRZ-ZDUSSCGKSA-N 311.382 -0.226 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2)CCO1 1064974092 LIIIQKPYXJNYKP-CHWSQXEVSA-N 321.377 -0.588 30 20 DBED N#Cc1cnc(N2C[C@@H](O)[C@@H](CNC(=O)c3cccnc3)C2)cn1 1067642246 AEGXAPJCSVKVBP-GXTWGEPZSA-N 324.344 -0.030 30 20 DBED N#Cc1nccnc1NCC1CC(NC(=O)[C@H]2CCC(=O)N2)C1 1067835133 UPCYQAWEONFRPW-VQXHTEKXSA-N 314.349 -0.066 30 20 DBED C=CCCCC(=O)N1CC2(C[C@H](NC(=O)CNC(C)=O)CO2)C1 1068670862 VJCBMWSOKSNKOH-ZDUSSCGKSA-N 323.393 -0.035 30 20 DBED C=CCCC(=O)N[C@H]1COC2(C1)CN(C(=O)[C@H]1C[C@H]1C(N)=O)C2 1068757131 NLKNVFOZSNIYOE-UTUOFQBUSA-N 321.377 -0.440 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCC(CC)(NC(=O)C(N)=O)CC1 1069337217 CWMQHEPQCBXVGD-AWEZNQCLSA-N 311.382 -0.314 30 20 DBED N#CCN[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1n1ccnn1 1070172232 UESSOYJXBIIJOG-OLZOCXBDSA-N 310.321 -0.343 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CCCN(C(=O)CCNC(N)=O)C1 1070716558 PCTRCDXUDXQAFR-VXGBXAGGSA-N 324.381 -0.810 30 20 DBED C=CCN1C[C@@H]2OC(=O)N([C@H]3CCN(C(=O)CC(N)=O)C3)[C@@H]2C1 1070907055 LNUPNBSYJSYPPC-TUAOUCFPSA-N 322.365 -0.846 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)C2CC(OC)C2)CC1 1070972666 FMSUECFSSWYXGQ-UHFFFAOYSA-N 307.394 -0.305 30 20 DBED C[C@H]1CN(C(=O)CS(C)(=O)=O)C[C@@]2(CCN(CC#N)C2)O1 1071143542 ARUHCFORNJNQSN-AAEUAGOBSA-N 315.395 -0.754 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H](N2CCN(CC#N)CC2=O)C1 1071258813 RGECMMUOSOOYQK-QWHCGFSZSA-N 303.366 -0.195 30 20 DBED C=CCOCC(=O)N1C[C@H](C)[C@@H](NC(=O)CNC(=O)OC)C1 1071807897 CAASZQJNUYPWSR-QWRGUYRKSA-N 313.354 -0.492 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)CCn2ccnn2)C[C@H]1C 1071977796 FTNWATLZJBZPHQ-CHWSQXEVSA-N 321.381 -0.166 30 20 DBED C#CCN1CCC2(C1)CN(C(=O)c1cn(CCOC)nn1)C2 1072712298 MEDVQFOWILCCLY-UHFFFAOYSA-N 303.366 -0.294 30 20 DBED C[C@H]1CC(=O)N[C@@H](C(=O)NC[C@H]2CN(CC#N)CCCO2)C1 1073605799 VPSIFFIVZSCODQ-FRRDWIJNSA-N 308.382 -0.368 30 20 DBED C=CCN1CCCO[C@@H](CNC(=O)c2cn(C)c(=O)cn2)C1 1073703212 IWBGAOUTSGARMQ-LBPRGKRZSA-N 306.366 -0.213 30 20 DBED C=CCOCC(=O)N1CCC(O)(CNC(=O)c2cnco2)CC1 1074516617 CSDGOSICLYMKOU-UHFFFAOYSA-N 323.349 -0.040 30 20 DBED CC(=O)NCC(=O)NCC[C@H](C)NC(=O)c1c[nH]c(C#N)c1 1075418279 DKYVUQCEXARJAG-VIFPVBQESA-N 305.338 -0.353 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H](C)CCNC(=O)c1ncn(C)n1 1076374930 KASUDMXYQFTOEO-QWRGUYRKSA-N 307.354 -0.522 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)c2cccc(=O)n2C)C1 1077650916 HWWWTOUJIZCZIV-ZYHUDNBSSA-N 311.769 -0.087 30 20 DBED CCN(C(=O)CS(=O)(=O)CC)C1CN(C(=O)[C@@H](C)C#N)C1 1079928836 VPWFGMDOFVKPOG-JTQLQIEISA-N 315.395 -0.360 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(CC)C1CN(C(=O)CNC(C)=O)C1 1080575790 LIEFDAAOFRDHDI-KGLIPLIRSA-N 323.393 -0.227 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1NC(=O)Cn1nc2n(c1=O)CCCC2 1080736693 XATZLLSREBDZSE-VXGBXAGGSA-N 318.381 -0.659 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2cncnc2)C[C@@H]1O 1081345791 AFPYTGWCQCYLTO-OLZOCXBDSA-N 320.349 -0.772 30 20 DBED C=CCCOCC(=O)NC[C@@H]1CN(C(=O)COC)C[C@H]1O 1081566722 MAXLBEQNACQELI-VXGBXAGGSA-N 300.355 -0.839 30 20 DBED COC(=O)NCC(=O)NC[C@@H]1CCCCN1C(=O)[C@@H](C)C#N 1082267304 MGDCCBAHJGISHX-QWRGUYRKSA-N 310.354 -0.001 30 20 DBED CNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1ccc(C#N)[nH]1 1083054820 ZTRZKCWQVMTXGP-QWHCGFSZSA-N 317.349 -0.842 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)COC1CCOCC1 1083211508 CHZOKPHGWBBGOI-UONOGXRCSA-N 309.366 -0.383 30 20 DBED COCc1nc(C(=O)N2CCO[C@@H]3CN(CC#N)C[C@@H]32)co1 1083236431 BSVLKRPNSKMBSW-NWDGAFQWSA-N 306.322 -0.130 30 20 DBED C[C@@H](CN1CCOCC1)C(=O)N1CCO[C@@H]2CN(CC#N)C[C@@H]21 1083275973 GMPJGERFQJPQOE-SOUVJXGZSA-N 322.409 -0.610 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)c2cn(C)c(=O)n2C)C1 1084098610 NLHVDVPJNDORIP-KOLCDFICSA-N 314.773 -0.749 30 20 DBED N#CCN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1Cc2cncn2C(=O)N1 1085281664 FDXIZSOWBMJUNJ-UPJWGTAASA-N 316.365 -0.094 30 20 DBED CO[C@H]1C[C@H](C(=O)NC[C@H]2C[C@@H](NCC#N)C2)N(C(C)=O)C1 1086160234 FQRVZYIVENJHBS-RFQIPJPRSA-N 308.382 -0.370 30 20 DBED C[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1NC(=O)C(C)(C)C(N)=O 1090780496 IRJTWQWICXCLFJ-MWLCHTKSSA-N 316.365 -0.199 30 20 DBED Cc1csc(=O)n1CC(=O)N[C@@H]1CCN(CC#N)C[C@H]1O 1090793635 GSDYWZAOBLTQGM-GHMZBOCLSA-N 310.379 -0.707 30 20 DBED C=CCCN1CC[C@@H](NC(=O)c2c[nH]c(C(N)=O)c2)[C@H](O)C1 1090813929 YNLIYDHZMRRLLP-DGCLKSJQSA-N 306.366 -0.145 30 20 DBED COc1c(O)nc(O)nc1C(=O)NCC1CC(NCC#N)C1 1091324900 SGTCYALSEJXAET-UHFFFAOYSA-N 307.310 -0.482 30 20 DBED N#Cc1cncc(N[C@H]2C[C@H](CNC(=O)Cn3ncnn3)C2)n1 1091482126 DLAZZYNBTKMUHY-MGCOHNPYSA-N 313.325 -0.658 30 20 DBED CCOCC(=O)N[C@H]1CCN(c2cnc(C#N)cn2)C[C@@H]1O 1092130021 UGELNMOGBKHUEA-RYUDHWBXSA-N 305.338 -0.559 30 20 DBED CN(C)CCC(=O)N[C@H]1CCN(c2ccc(C#N)nn2)C[C@H]1O 1092172272 CWEVJGSNXGVEOV-QWHCGFSZSA-N 318.381 -0.644 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)Cn3cncn3)c3nccn32)C1 1092410703 NAURDSQDFYAGBG-LBPRGKRZSA-N 311.349 -0.620 30 20 DBED C[C@H](NC(N)=O)C(=O)N1CCN(c2cncc(C#N)n2)CC1 1093145259 NXMFKJFGWWLWPX-VIFPVBQESA-N 303.326 -0.946 30 20 DBED C[C@]1(C(=O)NCCNc2cncc(C#N)n2)CCNC(=O)C1 1094233819 VAFUCZIPWLHJEU-AWEZNQCLSA-N 302.338 -0.207 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)c3cnc(C)n3C)CC2=O)C1 1094776966 KQKJOPNKJVAZKH-GFCCVEGCSA-N 315.377 -0.623 30 20 DBED C[C@@H](CC(=O)N1CC[C@@H](Nc2cncc(C#N)n2)C1)NC(N)=O 1095062289 WMOVPRXRHGNBMG-VHSXEESVSA-N 317.353 -0.192 30 20 DBED CN(CCCNC(=O)[C@@H]1COCCO1)c1ccc(C#N)nn1 1095489882 LWHCXWPVHRGDFY-LBPRGKRZSA-N 305.338 -0.294 30 20 DBED CNC(=O)NCCC(=O)NCCCN(C)c1cnc(C#N)cn1 1095537618 ZLWRISZBQPBLCA-UHFFFAOYSA-N 319.369 -0.390 30 20 DBED CCS(=O)(=O)CC(=O)N[C@H]1C[C@@H](Nc2cnc(C#N)cn2)C1 1097191641 VTSUWIVAUFSBMY-AOOOYVTPSA-N 323.378 -0.158 30 20 DBED COC(=O)c1nc(=N[C@H](C)CNC(=O)CSCC#N)cc[nH]1 1097674637 BRVCLKFQBSVXCD-SECBINFHSA-N 323.378 -0.142 30 20 DBED CC[C@]1(C(=O)N2CCC(N(CC#N)CCO)CC2)CCNC1=O 1098397915 DHLWVLVJFMQDQV-INIZCTEOSA-N 322.409 -0.288 30 20 DBED N#CCN(CCO)C1CCN(C(=O)Cn2ccccc2=O)CC1 1098558649 PUBYEZNZMBYUOT-UHFFFAOYSA-N 318.377 -0.343 30 20 DBED CC#CCNCc1cn([C@H]2CCN(C(=O)CNC(C)=O)C2)nn1 1098600867 HPIFAYITTNIXQE-AWEZNQCLSA-N 318.381 -0.700 30 20 DBED C#CCCN1CC[C@@H](NC(=O)COc2cc(C)on2)[C@H](O)C1 1099884662 ARKGHZFLEYYJJT-CHWSQXEVSA-N 307.350 -0.063 30 20 DBED C#CCN1CC[C@@H](NC(=O)CNC(=O)CCC(C)C)[C@H](O)C1 1100036859 OILXZCAFGCFTIS-ZIAGYGMSSA-N 309.410 -0.277 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CCn2cnccc2=O)[C@H](O)C1 1100055447 CNHSJJDDMQAGJF-ZIAGYGMSSA-N 318.377 -0.792 30 20 DBED C#CCNC(=O)CC(=O)NCC1CC(NCCOCC=C)C1 1100262955 NXOBUTKPBYLWNE-UHFFFAOYSA-N 307.394 -0.187 30 20 DBED CN1CC[C@@H](C(=O)NCCN(C)c2ccncc2C#N)C1=O 1100273546 XWDUDOJCXJXVIR-LBPRGKRZSA-N 301.350 -0.016 30 20 DBED CN(CCNC(=O)c1ccc2nn[nH]c2n1)c1cnc(C#N)cn1 1100391129 WLOSNTNISKINON-UHFFFAOYSA-N 323.320 -0.119 30 20 DBED CO[C@@H](C(=O)NCC1CC(NCC(=O)NCC#N)C1)C(C)C 1100638802 DKPZDFMIESAZBM-ORHYLEIMSA-N 310.398 -0.218 30 20 DBED CCN(CCNC(=O)[C@H]1CCCC(=O)N1)c1nccnc1C#N 1100642269 QGXPMJAUHLGEND-LLVKDONJSA-N 316.365 -0.041 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)COCCC)C1 1101792602 HSJASUPJFPVSDX-ZIAGYGMSSA-N 309.410 -0.154 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@@H](C)[C@H](CNC(=O)CC(N)=O)C1 1101837626 GYCFSBMJLFRXJV-IJLUTSLNSA-N 310.398 -0.763 30 20 DBED CC[C@H](CNC(=O)Cn1cnnc1O)Nc1nccnc1C#N 1103065620 IEBSQJNWGZZRCN-SECBINFHSA-N 316.325 -0.348 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)[C@H]1CCNC(=O)C1 1103911301 SYYFOIZLGFNNPY-MNOVXSKESA-N 316.365 -0.539 30 20 DBED C[C@@H](CNc1cncc(C#N)n1)N(C)C(=O)[C@@H]1COCCN1C 1104526737 HDFDXBLEGDDYPA-AAEUAGOBSA-N 318.381 -0.062 30 20 DBED C#CCCNCc1cn(C2CN(C(=O)c3cnns3)C2)nn1 1105174117 JMHGAHFUUIUCEP-UHFFFAOYSA-N 317.378 -0.060 30 20 DBED CN1C[C@H](C(=O)N(C)CCN(C)c2ncccc2C#N)NC1=O 1105535815 YEVIWOWAOXHRKN-GFCCVEGCSA-N 316.365 -0.129 30 20 DBED C[C@@H]1CN(C(=O)c2ccnn2C)C[C@H]1CNCC(=O)NCC#N 1105911442 WJIAHDDYUWCCKH-VXGBXAGGSA-N 318.381 -0.642 30 20 DBED CCN(CCNc1cnc(C#N)cn1)C(=O)[C@@H]1COCCN1C 1106731970 PHDWXJQBRJXQAZ-ZDUSSCGKSA-N 318.381 -0.061 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)c2cn(C)c(=O)nc2O)C[C@H]1C 1106979374 HEZLQWRRWUVZCX-VXGBXAGGSA-N 318.377 -0.193 30 20 DBED N#Cc1cncc(NC/C=C/CNC(=O)[C@H]2COCCO2)n1 1107050855 MCRYILBRWAXLBY-YYRQZUAOSA-N 303.322 -0.152 30 20 DBED Cn1cncc1CC(=O)NCc1cn(C2CN(CC#N)C2)nn1 1107229267 FUSHUXVBBGRAKR-UHFFFAOYSA-N 314.353 -0.749 30 20 DBED C[C@]1(CNC(=O)c2cc(C#N)c[nH]2)CN(CC(N)=O)CCO1 1107851120 XSSUQCWIIZQRID-AWEZNQCLSA-N 305.338 -0.808 30 20 DBED C[C@H](CNc1cnc(C#N)cn1)NC(=O)[C@H]1CN(C)C(=O)N1 1108041569 WPYOQGXZCFNXLR-PSASIEDQSA-N 303.326 -0.712 30 20 DBED C[C@H](CNc1ccc(C#N)nn1)NC(=O)CCS(C)(=O)=O 1108197753 IDUSMUQGEYKUST-SECBINFHSA-N 311.367 -0.300 30 20 DBED Cc1cc(=NC[C@H](C)NC(=O)CCNC(N)=O)c(C#N)c[nH]1 1108377472 TWVHDRVGZDLHSD-JTQLQIEISA-N 304.354 -0.341 30 20 DBED CCS(=O)(=O)CC(=O)N[C@@H](C)CN=c1cc[nH]cc1C#N 1108410684 MTQOJWZFRFNXPH-JTQLQIEISA-N 310.379 -0.274 30 20 DBED C=C(C)CCN1CC(N2C[C@H](NC(=O)CNC(C)=O)CC2=O)C1 1108498181 BHSYPPLVBDWXLV-CYBMUJFWSA-N 322.409 -0.510 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)CCn3ccnc3)CC2=O)C1 1108558298 DVRVQMIKWYLEBN-CYBMUJFWSA-N 315.377 -0.692 30 20 DBED N#CCNC(=O)CN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cnn[nH]1)C2 1108719484 SMLDAZDWBVAXCL-AXFHLTTASA-N 317.353 -0.973 30 20 DBED CN(C)CCC(=O)N1C[C@H]2C[C@H](NCC(=O)NCC#N)C[C@H]1C2 1108756459 KQQLDWYQRUFYMA-MELADBBJSA-N 321.425 -0.453 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C1=CCOCC1 1109185560 DRTLGGGYFAEAFG-ILXRZTDVSA-N 317.389 -0.196 30 20 DBED CNC(=O)NCC(=O)N[C@@H](C)CN(C)c1ccc(C#N)cn1 1109287740 QHOXPXUVZASJEG-JTQLQIEISA-N 304.354 -0.177 30 20 DBED CCn1cc(C(=O)N(C)CCCN=c2cc[nH]c(C#N)n2)nn1 1109504087 HRCLAQVYTKFQQA-UHFFFAOYSA-N 314.353 -0.044 30 20 DBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C1(C(N)=O)CC1 1109658912 KCCQMCOQTQOSNW-WOPDTQHZSA-N 320.393 -0.724 30 20 DBED C[C@@H](CC(N)=O)C(=O)N(CCO)CCNc1ccc(C#N)cn1 1111535765 WSXJBYHEKMQIQI-NSHDSACASA-N 319.365 -0.302 30 20 DBED CCOCC(=O)NC[C@H]1CN(c2ccc(C#N)nn2)C[C@H]1O 1112691238 DHJBURSMASUTDN-CMPLNLGQSA-N 305.338 -0.702 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1O 1112701846 LDODLROZWUZLHZ-DGCLKSJQSA-N 317.349 -0.536 30 20 DBED CNC(=O)NC(=O)CN1CCN(C(=O)C#CC(C)(C)C)CC1 1112837133 TZROPPPJGNCOKK-UHFFFAOYSA-N 308.382 -0.364 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)[C@H](C)OCC#C)CC1 1112841839 OQOAXJCTSOPDPU-KGLIPLIRSA-N 305.378 -0.693 30 20 DBED C[C@H](NC(=O)c1cnc(O)n1C)[C@@H](C)N=c1cc[nH]c(C#N)n1 1113255624 KIVVMASFIAZBRI-BDAKNGLRSA-N 315.337 -0.172 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCN(CCN2C(=O)CCC2=O)CC1 1113714629 IIHVJWZBDYXQRM-ZDUSSCGKSA-N 323.393 -0.129 30 20 DBED Cc1cc(C(=O)NC2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]23)on1 1113853241 YPGMQAMUATVICY-NXEZZACHSA-N 303.322 -0.717 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)c3ncccc3C)[C@@H]2C1 1114103066 FGTRBSJJNNXJON-CHWSQXEVSA-N 312.373 -0.201 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1[C@@H]2CN(CCOCCO)C[C@@H]21 1114420627 IKEIATBAMNHZMA-XUWVNRHRSA-N 321.421 -0.861 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)C3CCN(C)CC3)[C@H]2C1 1114769270 DPTVEYSVDWEETO-FOLVSLTJSA-N 318.421 -0.876 30 20 DBED C=CCCOCC(=O)NC1[C@H]2CN(CC(=O)NC3CC3)C[C@H]12 1115324081 KVYRBQYOTBXJLK-STQMWFEESA-N 307.394 -0.096 30 20 DBED C[C@@H](CN(C)C(=O)[C@H]1CCC(=O)N1)N=c1cc[nH]c(C#N)n1 1115656089 AIOHIHWJCXGQMP-VHSXEESVSA-N 302.338 -0.692 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](N3CCCC3)C2)CCO1 1117844807 RAWPNXRUPQZVBQ-ZIAGYGMSSA-N 320.393 -0.176 30 20 DBED C[C@H](OC(=O)C1(S(N)(=O)=O)CC1)C(=O)NC1(C#N)CCC1 1118236838 UKGGZAHEMIHDNW-QMMMGPOBSA-N 315.351 -0.698 30 20 DBED C[C@@H](CN(C)C(=O)[C@H]1CCC(=O)N1C)N=c1cc[nH]c(C#N)n1 1120501052 AICIXGYTJYYCLS-WDEREUQCSA-N 316.365 -0.350 30 20 DBED C=CCOCCNC1CC2(C1)CC(NC(=O)Cn1cnnn1)C2 1120588094 VWSYTEATASSZPJ-UHFFFAOYSA-N 320.397 -0.107 30 20 DBED C[C@](O)(CC(=O)NC[C@@H](CO)Nc1cncc(C#N)n1)C1CC1 1121340425 XEMYDYZAUSVTND-WFASDCNBSA-N 319.365 -0.212 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)Cc2cncnc2)cn1 1121412177 KUJOILMVBVHTSW-CQSZACIVSA-N 312.333 -0.125 30 20 DBED CO[C@H](C(=O)NC[C@H](CO)Nc1nccnc1C#N)C1CC1 1121504308 CYLFWFAMUXTSLT-PWSUYJOCSA-N 305.338 -0.338 30 20 DBED Cc1nc(N[C@@H](CO)CNC(=O)C#CC(C)C)nc(N(C)C)n1 1121528993 SAZOIAOOAJJVTK-GFCCVEGCSA-N 320.397 -0.206 30 20 DBED N#Cc1cncc(N[C@@H](CO)CNC(=O)[C@@H]2[C@H]3COC[C@H]32)n1 1122371697 FXCOIGFRVBQSPM-DCQANWLSSA-N 303.322 -0.870 30 20 DBED CCC(=O)N[C@H](C)C(=O)NC[C@@H](CO)Nc1cnc(C#N)cn1 1122752756 RMJIQKZYQNLLAK-KOLCDFICSA-N 320.353 -0.848 30 20 DBED C=C(C)CN(CC)C(=O)CNCCNC(=O)CN(C)C(C)=O 1123810671 PQVPHALEONSUGP-UHFFFAOYSA-N 312.414 -0.405 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)c2ccnc(O)c2)C1=O 1125606246 XSCQITHTMQOMDH-GFCCVEGCSA-N 304.350 -0.107 30 20 DBED C#CCO[C@H](C)C(=O)NCCNCC(=O)NC[C@@H]1CCCO1 1127047135 YMSDJIJJOHKCOK-OLZOCXBDSA-N 311.382 -0.974 30 20 DBED C#CCNC(=O)CNCCNC(=O)Cn1ccc(C(F)F)n1 1129032184 BTSKVYJJCNJTDW-UHFFFAOYSA-N 313.308 -0.724 30 20 DBED C#CCCN[C@@H]1CN(C(=O)c2cocn2)C[C@@H]1n1ccnn1 1129671100 FVPZONILBZHCAG-YPMHNXCESA-N 300.322 -0.055 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCNCc1ncnn1CCC 1129763198 YQOIZPGJAVOIIN-AWEZNQCLSA-N 318.425 -0.009 30 20 DBED C=CCN[C@@H]1CN(C(=O)C[C@H](C)NC(N)=O)C[C@@H]1n1ccnn1 1129833963 JWJYJOBADQRICQ-TUAOUCFPSA-N 321.385 -0.748 30 20 DBED C#CCNC(=O)CN1CC[C@]2(C1)CN(C(=O)C1CC1)C[C@H](C)O2 1131612236 DISTWQPPSLEENZ-GUYCJALGSA-N 319.405 -0.162 30 20 DBED C#CCCN1C[C@@H](NC(=O)CNS(=O)(=O)NC)CC[C@H]1C 1132199303 HKLZQKFKEPYCOB-NEPJUHHUSA-N 316.427 -0.967 30 20 DBED C=CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)c1ncn(C)n1 1134303201 PIVVIEKETNDMBS-QWRGUYRKSA-N 308.386 -0.396 30 20 DBED COCCS(=O)(=O)CC(=O)N[C@@H](C)C[C@H](C)NCC#N 1134749325 SOAGVTDMHZFOGW-QWRGUYRKSA-N 305.400 -0.556 30 20 DBED COCC#CCN1CCC2(C1)CN(C(=O)CCc1cnn[nH]1)C2 1148304580 INROOHIXRCIJHS-UHFFFAOYSA-N 317.393 -0.079 30 20 DBED C=CCC[C@@H](C)NCCNC(=O)CN1CCS(=O)(=O)CC1 1151002917 CUHPRRUJYTWMBO-CYBMUJFWSA-N 317.455 -0.223 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)c1cn(CC)cn1 1156449320 RLMBUCKBICACBL-GFCCVEGCSA-N 320.397 -0.017 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)CO[C@@H]1CCOC1 1157953634 NYTMYRNRIBJFFZ-QWHCGFSZSA-N 311.382 -0.974 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)CN(C)C1CCC1 1160003553 URARYCUFVBVDNE-CYBMUJFWSA-N 308.426 -0.296 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCCNCc1cnn(C)n1 1160198267 YPPPKZNJALGWRZ-AWEZNQCLSA-N 304.398 -0.491 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCCN[C@@H](C)C(=O)N(C)C 1160209571 QYVXDPGVJFXQQL-KBPBESRZSA-N 308.426 -0.343 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)c1ccnc(OC)n1 1162316486 CKPMVALJKFSINV-LLVKDONJSA-N 319.365 -0.667 30 20 DBED N#CCNC(=O)CNCC1(CCNC(=O)COCC2CC2)CC1 1163558184 VRZOSCUNJPQROV-UHFFFAOYSA-N 322.409 -0.071 30 20 DBED C=CCNC(=O)[C@H](C)NCC1(CCNC(=O)CC(N)=O)CC1 1163899740 LBCZWIZYHDEDKK-NSHDSACASA-N 310.398 -0.571 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)[C@H](CC)NC(C)=O)C1=O 1167186351 VJXWNJCOPPWTAR-KBPBESRZSA-N 324.425 -0.216 30 20 DBED C=CCNC(=O)CNC[C@@H]1CCN(C(=O)c2cnn[nH]2)C[C@H]1C 1184711806 GWCTYDXDMZCJDH-NEPJUHHUSA-N 320.397 -0.205 30 20 DBED CN(CC(=O)NCC#N)[C@@H]1CCN(C(=O)C[C@@H]2CCOC2)C1 1189489278 HZZZQAPNQIQVDR-QWHCGFSZSA-N 308.382 -0.415 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](N(C)[C@H](C)C(=O)N(C)C)C1 1189768766 BQFTURSYKRRFGM-CHWSQXEVSA-N 322.409 -0.865 30 20 DBED C=CCNC(=O)[C@@H](C)N(C)[C@H]1CCN(C(=O)c2cn(C)nn2)C1 1189964729 VHZOJCMHSBXJBJ-NEPJUHHUSA-N 320.397 -0.348 30 20 DBED N#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)Cc2ccsc2)C1 1190758259 QFZLUYQTNUAIMW-VXGBXAGGSA-N 322.390 -0.908 30 20 DBED Cc1nc(C)n(CCN2C[C@@H](O)[C@H](NC(=O)[C@@H](C)C#N)C2)n1 1191865188 SHZLSEZYDOZTNA-ZWKOPEQDSA-N 306.370 -0.784 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(Cc2cc(C)no2)C[C@H]1O 1192524522 JXEVZDRIXJAAQN-UMVBOHGHSA-N 309.366 -0.029 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@@H]1CCN(C(=O)c2nc[nH]n2)C1 1192933451 IJCQIYFBLCDMPI-WDEREUQCSA-N 304.354 -0.911 30 20 DBED C=CCNC(=O)[C@H](C)N(C)[C@H]1CCN(C(=O)CCCC(N)=O)C1 1194482581 ADCSXVYGAWBACL-STQMWFEESA-N 324.425 -0.135 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)CCCCNC(N)=O)C1 1194492761 HDNNZEGHCQMFLA-GHMZBOCLSA-N 318.805 -0.261 30 20 DBED C=CCCCN1C[C@@H](O)[C@H](NC(=O)Cc2cn(CC)nn2)C1 1194881500 YXCARUBGPPDJJK-ZIAGYGMSSA-N 307.398 -0.032 30 20 DBED C[C@H](C(=O)N[C@@H]1CN(CC#N)C[C@H]1O)N(C)CC(F)(F)F 1195580256 AFFLWZHMQMWZHA-OPRDCNLKSA-N 308.304 -0.446 30 20 DBED C#CCNC(=O)[C@H](C)N1CCCN(C(=O)CC(C)(C)O)CC1 1195659225 CMNUQRIJKYWKMY-ZDUSSCGKSA-N 309.410 -0.180 30 20 DBED Cc1cnn(C)c1C(=O)N1CCCN(CC(=O)NCC#N)CC1 1196790231 JBDUXKKHPDKHAG-UHFFFAOYSA-N 318.381 -0.484 30 20 DBED N#CCNC(=O)CN1CCCN(C(=O)[C@@H]2[C@H]3COC[C@H]32)CC1 1196846930 RCJMKZRTNBACTI-IMRBUKKESA-N 306.366 -0.947 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C(C)(C)CC(C)C)C1 1197596304 GNSWOPDNTRCJLB-ZIAGYGMSSA-N 323.437 -0.031 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C(C)(CC)CC)C1 1198841856 NBVIZEVKOYMTJQ-CHWSQXEVSA-N 309.410 -0.277 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN([C@H]2CCCNC2=O)C[C@H]1O 1199292330 HSMKGMHTEPUVOW-FRRDWIJNSA-N 311.382 -0.981 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)c2cnn(CC)n2)CC1 1200382440 ZODYJMJIAKIFKD-UHFFFAOYSA-N 318.381 -0.758 30 20 DBED C#CCNC[C@H]1CN(C(=O)c2nnn(C(C)(C)C)n2)CCCO1 1200554967 NHNFLQWYZDNVJE-LBPRGKRZSA-N 320.397 -0.118 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)c2cc(C(N)=O)c[nH]2)CCCO1 1201718942 FSSDTDPSYLRCME-CYBMUJFWSA-N 318.377 -0.042 30 20 DBED C=CCNC[C@H]1CN(C(=O)c2nccnc2C(N)=O)CCCO1 1202022223 UCWVWQQLSKBFIA-NSHDSACASA-N 319.365 -0.418 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@H]2CC[C@H]1N(C(=O)c1cnn[nH]1)C2 1204519537 AGSGFEUKTBSGGK-NTZNESFSSA-N 316.365 -0.863 30 20 DBED CC#CCNCC1CCN(C(=O)CN(C)C(=O)COC)CC1 1205418339 KLFVAGYSPMBJQO-UHFFFAOYSA-N 309.410 -0.057 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)c2c(C)n[nH]c2C)C1 1210163524 CBBVYEAUZCTQJA-ZDUSSCGKSA-N 317.393 -0.030 30 20 DBED C#CCCN[C@@H]1CCCN(C(=O)CC[C@@H]2NC(=O)NC2=O)C1 1210982992 BOKULDCELWUKEW-NEPJUHHUSA-N 306.366 -0.422 30 20 DBED C=CCCN1C[C@@H](NC(=O)CN(C)C(=O)COC)[C@H](OC)C1 1212363759 JZVRPRNHSJZPJW-CHWSQXEVSA-N 313.398 -0.517 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)C[C@H](C)N1CCCC1=O 1213716851 JBNFGVXTYFPKQU-YNEHKIRRSA-N 308.382 -0.274 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)CCNC(=O)CC(C)C 1213990858 VQWXYRNYTIZBGA-CHWSQXEVSA-N 310.398 -0.122 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)c2cc(C)ncn2)C[C@H]1C 1214448095 RAKRLVYLUFXQIJ-BXUZGUMPSA-N 315.377 -0.415 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)C(C)(C)F 1217175220 AYGXFANLFANACY-NWDGAFQWSA-N 311.357 -0.605 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@H](F)C(C)C)C1 1220174586 LAUDGMZZEFUWJD-NTZNESFSSA-N 301.362 -0.556 30 20 DBED C=C[C@@H](CC)CC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[nH]2)C[C@@H]1O 1220203568 KJSIIRRJNFEFDY-TUAOUCFPSA-N 323.397 -0.628 30 20 DBED N#CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3cc(F)c[nH]3)[C@@H]2C1 1221695706 HOSKEMAJWWSCQX-ZWNOBZJWSA-N 319.340 -0.060 30 20 DBED C[C@@]1(C(=O)N2C[C@H]3CCN(CC(=O)NCC#N)C[C@H]32)CCOC1 1221891995 IQPLUXPIANPPLA-XJKCOSOUSA-N 320.393 -0.415 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCCC[C@H]1NC(=O)CC(=O)NC 1225860653 JHWJVXCFUDSGGS-YNEHKIRRSA-N 322.409 -0.723 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC(NC(=O)[C@@H]2CCCO2)CC1 1225938329 WHQLTKRKQVEKQE-JSGCOSHPSA-N 307.394 -0.116 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)CN2CCOCC2)CC1 1226926661 MWNQVFNKHLWCQZ-UHFFFAOYSA-N 324.425 -0.799 30 20 DBED C#CCCN1CCS(=O)(=O)[C@@H](CCNC(=O)c2cc[nH]n2)C1 1230422391 LBADVEXTCMOOJZ-LBPRGKRZSA-N 324.406 -0.348 30 20 DBED C#CCN1CCS(=O)(=O)[C@H](CCNC(=O)[C@@H]2CC2(F)F)C1 1230461046 XAEYFMQXQVXZIW-MNOVXSKESA-N 320.361 -0.120 30 20 DBED C#CCNC(=O)CC(=O)N(C)C[C@H]1CCN1CC(=O)NCCC 1233810961 SSFBFVMOQZJOCD-CYBMUJFWSA-N 322.409 -0.815 30 20 DBED C#CCNC(=O)CC(=O)N(C)C[C@@H]1CCN1Cc1cnn(C)c1 1233811181 VMBNRDTVACPXSL-AWEZNQCLSA-N 317.393 -0.408 30 20 DBED C=CCn1cc(C(=O)NC[C@H](CO)Cc2cnn(C)c2)nn1 1261546039 VMUBBRSXZGPDQA-GFCCVEGCSA-N 304.354 -0.221 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N(C)Cc2cnc[nH]2)C1=O 1261617677 QPIPHXCKMJNODL-LBPRGKRZSA-N 319.365 -0.387 30 20 DBED COCCN(C)CCNC(=O)C(=O)N1CCC[C@](C)(C#N)C1 1322241514 OXZABLUPUVIRGP-OAHLLOKOSA-N 310.398 -0.167 30 20 DBED N#CCNC(=O)CNC(=O)c1cnc(-c2ncccn2)s1 1324391136 DRFJBYCQKCEAGJ-UHFFFAOYSA-N 302.319 -0.030 30 20 DBED C#CCCCNC(=O)C(=O)NCc1nc(C(F)(F)F)n[nH]1 1326768807 BKHQLBGSYCPSHV-UHFFFAOYSA-N 303.244 -0.031 30 20 DBED C[C@H](CNC(=O)C(=O)N1CCO[C@H](C#N)C1)CN1CCCC1 1327695584 HOWOWTQHYYSRKC-CHWSQXEVSA-N 308.382 -0.415 30 20 DBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[C@H](NC(N)=O)C1 1327753384 UUSRATDVCDISST-SRVKXCTJSA-N 324.381 -0.647 30 20 DBED CC1(C)[C@H](NC(=O)C(=O)N2CC[C@](O)(CC#N)C2)[C@@H]2CCO[C@H]21 1329350416 YIYIHOKXGDTRLO-XSUJLISDSA-N 321.377 -0.207 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)NC[C@H]1CCCNC1=O 1331528537 NWSVWAHRTKPQLT-NEPJUHHUSA-N 309.366 -0.827 30 20 DBED C#CCNC(=O)C1CCN(C[C@H](O)C[C@]2(O)CCOC2)CC1 1333263433 FTTMUDDOPCUHCT-GDBMZVCRSA-N 310.394 -0.650 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@H]1CCCN(CC)C1=O)[C@@H]1CCCO1 1334244747 MUQDDCASQWNUKJ-AVGNSLFASA-N 321.377 -0.590 30 20 DBED CN(CC(=O)NCc1ccc(C(=O)NO)cc1)S(C)(=O)=O 1339549265 NLINZKQZAOHEKM-UHFFFAOYSA-N 315.351 -0.687 30 20 DBED Cn1cc(N2CC[C@@H](NC(=O)C(=O)NCCCCC#N)C2)cn1 1341848437 DTECDKDOJXOUQD-GFCCVEGCSA-N 318.381 -0.075 30 20 DBED C#CCn1cc(CNC(=O)c2ccc(=O)n(CCOC)n2)cn1 1344049611 QMTJPOIANSCEAZ-UHFFFAOYSA-N 315.333 -0.351 30 20 DBED CN(C)c1cc(NC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)ncn1 1345811196 ZRHCPIZLBAKBLY-AWEZNQCLSA-N 318.337 -0.642 30 20 DBED C=CCn1cc(CNC(=O)N[C@@H](C)[C@H]2CN(C)CCN2C)nn1 1348833322 ZFBLUMFEZFODMQ-GXTWGEPZSA-N 321.429 -0.102 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)N1CC(O)(c2nccn2C)C1 1349048046 VNBPVOFXGFLAOL-LBPRGKRZSA-N 306.366 -0.079 30 20 DBED N#Cc1ccc(NCC(=O)N2CCCN(CC(N)=O)CC2)nc1 1362058798 XRGAFLKWMFSUCD-UHFFFAOYSA-N 316.365 -0.615 30 20 DBED N#Cc1ccc([C@@H](C(N)=O)N2CC[C@H](CS(N)(=O)=O)C2)cc1 1364815876 UOWKBOUHWACOAE-AAEUAGOBSA-N 322.390 -0.305 30 20 DBED CCC(=O)NCC(=O)NC[C@@H](O)CNCc1ccc(C#N)s1 1367572436 AIRZBFPXMLDTLY-JTQLQIEISA-N 324.406 -0.287 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CCN(C(=O)c2ccn3nnnc3c2)C1 1385616370 WXGHDRTZOCHAFE-KOLCDFICSA-N 313.321 -0.385 30 20 DBED C[C@H](CNC(=O)c1ccc(C#N)[nH]1)NC(=O)CN1CCOCC1 1386224502 LQZNUGDJURYZBH-LLVKDONJSA-N 319.365 -0.547 30 20 DBED N#Cc1cn(CCC(=O)NCCc2ccon2)c(=O)nc1O 1411984941 HYLGXNXUZORNOL-UHFFFAOYSA-N 303.278 -0.442 30 20 DBED CN(C)C(=O)O[C@H]1CCN(c2[nH]c(=O)n(C)c(=O)c2C#N)C1 1413889089 QWZQFAWCAXNIEF-QMMMGPOBSA-N 307.310 -0.778 30 20 DBED CCN(C(=O)[C@@H](C)C#N)[C@H](C)CNC(=O)CCn1cnnn1 1426368882 YFIXOXDYKDQXKN-WDEREUQCSA-N 307.358 -0.424 30 20 DBED CN(CCNC(=O)[C@@H]1COCCO1)C(=O)c1cc(C#N)c[nH]1 1429179621 XRFPQUJVNYAYGI-LBPRGKRZSA-N 306.322 -0.510 30 20 DBED CC(C)[C@@H](CNC(=O)C1(NC(N)=O)CC1)NC(=O)[C@H](C)C#N 1431217719 BEMUHXVNJBWDSV-NXEZZACHSA-N 309.370 -0.396 30 20 DBED C[C@@H](C#N)C(=O)NC1CCN(C(=O)CN2CCOCC2)CC1 1453750407 GTQCIVQBWOAMOO-LBPRGKRZSA-N 308.382 -0.415 30 20 DBED CCC(=O)N[C@H](C)C(=O)NCCN(C)C(=O)c1ccc(C#N)[nH]1 1455283963 LEAUEXRPOMMLAQ-SNVBAGLBSA-N 319.365 -0.011 30 20 DBED C[C@@H]1COC[C@H]1NC(=O)CNS(=O)(=O)c1cccc(C#N)c1 1458021958 CFYJLOVKJSFWNC-ZWNOBZJWSA-N 323.374 -0.012 30 20 DBED Cn1c(=O)[nH]c(NC[C@H]2CCCN(C(N)=O)C2)c(C#N)c1=O 1472797422 BYAKVEWMNPFKKA-MRVPVSSYSA-N 306.326 -0.852 30 20 DBED Cn1cc(C#N)c(NC(=O)N2CC[C@H](CS(N)(=O)=O)C2)n1 1476220088 OKZNUBHOJOHBDH-QMMMGPOBSA-N 312.355 -0.566 30 20 DBED CCN(C(=O)[C@H](C)C#N)[C@H](C)CNC(=O)c1c[nH]c(=O)cn1 1512480233 RIXHQFWDEGIJFO-NXEZZACHSA-N 305.338 -0.104 30 20 DBED C=CCn1c(N2CCN(C)C(=O)[C@H]2C)nnc1[C@@](C)(O)COC 1520484252 QFKBRURSWSREJF-ABAIWWIYSA-N 323.397 -0.015 30 20 DBED C[C@H](C#N)C(=O)NCCN1CCN(C(=O)c2ccn(C)n2)CC1 1524093927 CWZWCVUQQIOQKK-GFCCVEGCSA-N 318.381 -0.546 30 20 DBED CCN1CCO[C@H](C(=O)NCCN(CC)C(=O)[C@@H](C)C#N)C1 1528882174 KHXAGTBDZYTREO-STQMWFEESA-N 310.398 -0.169 30 20 DBED C#CCCCn1c(N2CCNC(=O)C2)nnc1[C@H]1C[C@@H](N)C1 1574582812 QXHJGHFKFDDLCF-TXEJJXNPSA-N 302.382 -0.168 30 20 DBED N#CCNC1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 1581858064 ORUJJKRMFFQLDA-UHFFFAOYSA-N 300.326 -0.087 30 20 DBED C#CC[C@@H](CO)NC[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 1588330703 CSCXJXKGVMHHRH-STQMWFEESA-N 317.349 -0.420 30 20 DBED C#CC1CCN(C(=O)C(=O)N2CCC([C@H](O)C(=O)O)CC2)CC1 1588383073 NDUBBEIHCBWPDB-ZDUSSCGKSA-N 322.361 -0.458 30 20 DBED C=CCO[C@H]1CCN(C(=O)[C@@H](C)n2cnc(-c3nn[nH]n3)n2)C1 1588664958 AHGQFLVQFIRGRE-ZJUUUORDSA-N 318.341 -0.177 30 20 DBED C[C@@H](C(=O)NCC1(C(=O)O)CCOCC1)n1cnc(C#N)n1 1589407257 QDKSJBHHJIWFJZ-VIFPVBQESA-N 307.310 -0.292 30 20 DBED CC1(C#N)CN(Cc2cc(O)n3ncc(-c4nn[nH]n4)c3n2)C1 1590056338 HPRIGPHDWKLYGU-UHFFFAOYSA-N 311.309 -0.040 30 20 DBED CN(C)C[C@](C)(C#N)NC(=O)CN1CCC[C@H](C(=O)O)C1=O 1598199260 CZBOIPPMAZIIFH-HZMBPMFUSA-N 310.354 -0.730 30 20 DBED C=C(CCC(=O)OC)C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)O 1602787329 BILYIEFSSZEPBN-SECBINFHSA-N 319.335 -0.794 30 20 DBED C=CCN(CC=C)C(=O)Cn1c(N)nc(C#N)c1-c1nn[nH]n1 1602850766 UPJRNMSTIJTRDJ-UHFFFAOYSA-N 313.325 -0.282 30 20 DBED COCCN(C)CCCNc1cnc(C#N)c(-c2nn[nH]n2)n1 1605094069 SEHCWUNQOGBFCN-UHFFFAOYSA-N 317.357 -0.091 30 20 DBED N#CCNC(=O)CNC(=O)Nc1ccnc(-c2nn[nH]n2)c1 1606350180 RIXPBMVETCLPSS-UHFFFAOYSA-N 301.270 -0.977 30 20 DBED N#Cc1nc(N2CCN(c3ncc[nH]3)CC2)cnc1-c1nn[nH]n1 1606389656 RBYNYKIKAXBXCM-UHFFFAOYSA-N 323.324 -0.422 30 20 DBED N#Cc1nc(NCCCC(=O)NC2CC2)cnc1-c1nn[nH]n1 1606392638 ACJQAZYGLHLBAS-UHFFFAOYSA-N 313.325 -0.001 30 20 DBED C[C@H](C(=O)N1CC[C@@](F)(C#N)C1)n1cnc(-c2nn[nH]n2)n1 1609067842 AAJZQQYSIVOWMA-RDDDGLTNSA-N 305.277 -0.517 30 20 DBED C=C1CC(C)(C(=O)NCCCN2CCN(CC(N)=O)CC2)C1 1752352934 UEBXVOQHUITJRU-UHFFFAOYSA-N 308.426 -0.048 30 20 DBED CC#CCN[C@H]1C[C@@H](NC(=O)[C@@H]2CCc3nnc(O)n3C2)C1 1752737206 KAJMDICJDCDIGI-UTUOFQBUSA-N 303.366 -0.194 30 20 DBED C=CCNC(=O)CN1CCC[C@H]1CNC(=O)c1n[nH]c(C)c1O 1753100549 AEVHFASGSHJNBP-NSHDSACASA-N 321.381 -0.080 30 20 DBED C=CCNC(=O)[C@@H](C)NC[C@@H](C)CNC(=O)c1cnn(C)n1 1753635086 WFOGVYYLAWFRQU-GHMZBOCLSA-N 308.386 -0.539 30 20 DBED COCC#CCNC[C@H](C)N(C)C(=O)c1ccc(C(N)=O)[nH]1 1753713614 JSGLJAQSNDSZEC-NSHDSACASA-N 306.366 -0.187 30 20 DBED C=CCCNC[C@@H](O)CNC(=O)c1ccnc2c1CC(=O)N2 1753917248 KOOOHJWHKUGQDN-SNVBAGLBSA-N 304.350 -0.167 30 20 DBED C=C[C@@](C)(CC)C(=O)NC[C@H](O)CNCC(=O)NC(=O)NC 1753924842 CVDVBYVBOCBMMY-YGRLFVJLSA-N 314.386 -0.889 30 20 DBED CCN(CCNCC(=O)NCC#N)C(=O)c1ncc(OC)cn1 1754060555 PRETVXKSRXQHQE-UHFFFAOYSA-N 320.353 -0.823 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC/C=C\CNCc1cn(C)nn1 1754133531 LSABYHACMBBBMH-XVWMLYKFSA-N 316.409 -0.325 30 20 DBED C#CCNC(=O)CNC[C@@H](C)NC(=O)c1cn2c(n1)CCCC2 1754227876 RNYQPFICPYVMKJ-GFCCVEGCSA-N 317.393 -0.323 30 20 DBED C=CCNC(=O)NC(=O)CN1C[C@H]2C[C@H]1[C@H]2NC(=O)CC1CC1 1754419224 OTUWOFNUKJAZTD-XUJVJEKNSA-N 320.393 -0.013 30 20 DBED C=CCNC(=O)CN1CC[C@](O)(CNC(=O)[C@H]2CCCO2)C1 1754747043 DUOFTNWBYTXQED-DOMZBBRYSA-N 311.382 -0.979 30 20 DBED COCC#CCN1CC(O)(CNC(=O)Cc2c(C)noc2C)C1 1754776957 PHKLKRDLILDBIG-UHFFFAOYSA-N 321.377 -0.353 30 20 DBED C=C(C)CNCC[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 1754940984 BDGKMQWSVNHXCE-GFCCVEGCSA-N 308.382 -0.058 30 20 DBED CNC(=O)[C@H](C)NC[C@@H]1CN(C(=O)C#CC(C)(C)C)CCO1 1755002138 LOQAJICHJQYURB-QWHCGFSZSA-N 309.410 -0.013 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)CCc2nc[nH]n2)C[C@@H]1C 1755106779 BQMVZGUSZUOEKJ-QWHCGFSZSA-N 305.382 -0.176 30 20 DBED COCC#CCN[C@H]1CN(C(=O)C(=O)NCC(F)F)C[C@@H]1C 1755112294 UFEAPJSTXBEEJN-QWRGUYRKSA-N 317.336 -0.546 30 20 DBED C#CCCN1C[C@H]2CC[C@H]1CN2C(=O)[C@H](C)NS(C)(=O)=O 1755397510 IJYLYUNFVLEZBU-RWMBFGLXSA-N 313.423 -0.377 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H](CO)NCc1cnns1 1755630248 FINGMLJMBZCJJG-YPMHNXCESA-N 323.422 -0.798 30 20 DBED C#Cc1ccc(C(=O)N(C)C[C@H](O)CN(C)C[C@H](C)O)cn1 1755806471 GSRKAUWXZJRVKJ-SWLSCSKDSA-N 305.378 -0.192 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC([C@H](C)NC(=O)CNC(C)=O)C1 1756127853 ORJPTMCKTLAKRP-BONVTDFDSA-N 311.382 -0.587 30 20 DBED CC(C)C#CC(=O)N[C@@H](C)C1CN(C(=O)CN2CCOCC2)C1 1756149997 OGHOZEOLKBRCNJ-AWEZNQCLSA-N 321.421 -0.059 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@H](CO)NC(=O)c1ccncc1C 1756515846 QLMGOULGWQPARC-MLGOLLRUSA-N 321.377 -0.076 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@H](O)CN(C)C(=O)c1ccn(C)n1 1756663982 WWSADPMHYILRAF-ABAIWWIYSA-N 324.381 -0.704 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(C(=O)C[C@@H]2CCNC2=O)C[C@H]1O 1756992083 OTGBGWUTOJBGEG-YNEHKIRRSA-N 321.377 -0.996 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@H]1CCN(C(=O)CNC(N)=O)[C@@H]1C 1757508255 QARGYVNRDQKJMU-ISTVAULSSA-N 312.370 -0.913 30 20 DBED CC(=O)NCC(=O)NCC(=O)Nc1cc(C)nn1CCC#N 1771595406 IMBAPCIOZWWTOM-UHFFFAOYSA-N 306.326 -0.704 30 20 DBED Cn1cnnc1S(=O)(=O)CC(=O)NCc1ccc(C#N)cc1 1771595491 LMQBRBAXUZLLIL-UHFFFAOYSA-N 319.346 -0.223 30 20 DBED N#Cc1ccc(CNC(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)nc1 1771701483 CPILSVLLQXZKER-RYUDHWBXSA-N 303.322 -0.215 30 20 DBED C#CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CNC(=N)N)CC2 1825015166 AXBPLSVFMALNAN-ZETCQYMHSA-N 320.378 -0.829 30 20 DBED CC(C)(C#N)C(=O)N1CCCC12CN(C(=O)CNC(N)=O)C2 1841139263 PKMATYWIRZDUQX-UHFFFAOYSA-N 307.354 -0.592 30 20 DBED C[C@H](C(=O)N1CCCC12CN(C(=O)CC#N)C2)n1cnnn1 1846644607 IFPLQYFNQIWNEZ-SNVBAGLBSA-N 303.326 -0.649 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CC(=O)NC 1847767449 ZJGYXAKFPPNSRT-AGIUHOORSA-N 321.377 -0.637 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1CCN(C(=O)COC)CC1 47997357 VKCGAVUNJPYFRL-NSHDSACASA-N 312.370 -0.823 30 20 DBED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[C@@H](CO)C2)CC1 222120723 YNCZWEZSEQKQRX-CABCVRRESA-N 308.426 -0.007 30 20 DBED N#Cc1nccnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 263802112 LNHROGAMGVFDFP-UHFFFAOYSA-N 300.322 -0.725 30 20 DBED C[C@@H](C#N)CN(C)C(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 266310828 WQBYVUHRAKURPV-YQPPGCHHSA-N 305.334 -0.233 30 20 DBED CC[C@H](C#N)NC(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 266324967 XFVHDGNOMDDTOX-NPNZPCOPSA-N 305.334 -0.043 30 20 DBED Cc1nc2n(n1)C[C@H](NS(=O)(=O)N(C)[C@@H](C)CC#N)CC2 283071349 UUGYLMGAHQPKAG-GXSJLCMTSA-N 312.399 -0.030 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCCn2ccnc2)C1=O 283908647 LECPLJLJDBGXJZ-GFCCVEGCSA-N 319.365 -0.755 30 20 DBED COCCN(C)CCNC(=O)C(=O)NCc1cccc(C#N)c1 284167671 YNNRJKKHPSWPND-UHFFFAOYSA-N 318.377 -0.131 30 20 DBED C#CCNS(=O)(=O)c1ccc(C(=O)N(C)CCC(N)=O)cc1 286267452 RUYUQMCTGPZLDZ-UHFFFAOYSA-N 323.374 -0.455 30 20 DBED CC(C)[C@@H]1C(=O)NCCN1C(=O)NCCn1cnc(C#N)n1 287796896 IGUIDZOLHPYOJM-LLVKDONJSA-N 305.342 -0.684 30 20 DBED C#CCNS(=O)(=O)c1ccc(C(=O)NCC(=O)N(C)C)cc1 298126074 WFSRASMWHDUCTM-UHFFFAOYSA-N 323.374 -0.584 30 20 DBED CC[C@H](O)CN1CCN(/C(O)=N/CCN2CCOCC2)CC1 330711880 VKSJOEWOHYTPMF-AWEZNQCLSA-N 314.430 -0.379 30 20 DBED N#Cc1ccc(N2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)nc1 336859627 JINGMIQMKPEFPI-STQMWFEESA-N 322.390 -0.767 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)NCCNc1cnccn1 336918113 ODUYFEVDJCTLMJ-NSHDSACASA-N 312.399 0.204 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCO[C@@H](C(=O)OC)C1 337094799 PIGIALDFPBWDTQ-GHMZBOCLSA-N 319.383 -0.413 30 20 DBED COCC1(CNS(=O)(=O)N2CCO[C@@H](C#N)C2)CCC1 337218258 AVDYMAPHXBXTMN-NSHDSACASA-N 303.384 -0.138 30 20 DBED COCCN1CN([C@@H](C(N)=O)c2ccc(C#N)cc2)CC1=O 338341188 CACLIPFTOZJUEX-CQSZACIVSA-N 302.334 -0.167 30 20 DBED O=C(NCC#CCO)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 339391547 CPYWNEJOPWSKGS-UHFFFAOYSA-N 301.262 -0.099 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)C2CCN(C)CC2)CC1 344342044 BCVZBLYWJUNXAC-UHFFFAOYSA-N 308.426 -0.225 30 20 DBED CCNC(=O)CN1CCN([C@H](C)C(=O)NC2(C#N)CCC2)CC1 345873359 ZPBOMKKTNNLGPV-CYBMUJFWSA-N 321.425 -0.309 30 20 DBED C=C[C@@H](CO)NS(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1 349781280 DYQVCHFJKUSQNU-VIFPVBQESA-N 301.368 -0.448 30 20 DBED Cc1ccc(S(=O)(=O)NCC(=O)NCC#N)cc1[N+](=O)[O-] 352539292 WNSCKTGJOALJPR-UHFFFAOYSA-N 312.307 -0.179 30 20 DBED CN(C)S(=O)(=O)CCNC(=O)Nc1ccn(CCC#N)n1 353029499 RGBYNKJHHVAQTA-UHFFFAOYSA-N 314.371 -0.190 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](CO)C/C=C/C)C1=O 354187938 ISLRNKZAWBGEGI-GFAPAMAISA-N 309.322 -0.594 30 20 DBED CN(C)S(=O)(=O)CCNC(=O)C(=O)Nc1ccc(C#N)cc1 355132207 LSCQHQNXGJROHC-UHFFFAOYSA-N 324.362 -0.496 30 20 DBED CC(C)NS(=O)(=O)NCCNC(=O)NCC(C)(C)C#N 355481540 NBWXKRHAOSGTOH-UHFFFAOYSA-N 305.404 -0.332 30 20 DBED Cc1nc(C#N)c(N2CCC(C(=O)NC(C)(CO)CO)CC2)o1 356683557 AVJGPUARQIGIPL-UHFFFAOYSA-N 322.365 -0.069 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)NC[C@H]1CN2CCC[C@@H]2CO1 374547584 CCBPLUPHIYNURN-UPJWGTAASA-N 316.427 -0.082 30 20 DBED C[C@H](O)CN1CCN(S(=O)(=O)N(C)C[C@@H](C)C#N)[C@@H](C)C1 407955081 HFCRQIDBKDBWJB-AVGNSLFASA-N 318.443 -0.290 30 20 DBED COCCN(C)CCN1C[C@H](NC(=O)[C@@]2(C#N)C[C@@H]2C)CC1=O 425310361 DUOXYKPGWGQJDQ-WOSRLPQWSA-N 322.409 -0.169 30 20 DBED C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1cn(CCO)c(=O)nc1O 437529604 UJIVIWJQGLGPOW-CMPLNLGQSA-N 323.349 -0.348 30 20 DBED CC(C)(CC#N)CS(=O)(=O)NCCCN1CCNC(=O)C1 451362305 HRNFAFUXIRQEJY-UHFFFAOYSA-N 316.427 -0.332 30 20 DBED C=CCC[C@@H](CO)NC(=O)NCCC(=O)N1CCN(C)CC1 457672500 OYLXCWNHGXGERL-ZDUSSCGKSA-N 312.414 -0.223 30 20 DBED C=CCNC(=O)NC(=O)CN1CCC(CO)(NCC2CC2)CC1 567504977 IFFSUXXMSWLVAZ-UHFFFAOYSA-N 324.425 -0.175 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)NC[C@H](CC(=O)O)C(=O)O 568096172 RKYIIWDBGTYYEP-YUMQZZPRSA-N 307.328 -0.912 30 20 DBED COCCN(CC#N)C(=O)CNS(=O)(=O)c1ccccc1 568398039 LSIJQVJTJIGUDI-UHFFFAOYSA-N 311.363 -0.037 30 20 DBED CCS(=O)(=O)NCCS(=O)(=O)N(C1CC1)[C@@H](C)C#N 594835919 FHVLPVCDBPMINR-VIFPVBQESA-N 309.413 -0.368 30 20 DBED CC(C)NS(=O)(=O)N1CCN(c2cc(C#N)cnn2)CC1 596222791 XJQIUVNSUNOUAA-UHFFFAOYSA-N 310.383 -0.287 30 20 DBED CCC(C#N)(CC)C(=O)NCC(=O)NCCN1CCOCC1 599440626 XXYNQXBADXQSGR-UHFFFAOYSA-N 310.398 -0.119 30 20 DBED COC[C@@H]1CCCN1C(=O)C(=O)N1CCN(CCC#N)CC1 601519266 FMOLIDABGMYZFK-ZDUSSCGKSA-N 308.382 -0.318 30 20 DBED CCNC(=O)CNC(=O)CNS(=O)(=O)c1cccc(C#N)c1 608794135 NPRSYFSKRWMUTA-UHFFFAOYSA-N 324.362 -0.911 30 20 DBED CN1CCC[C@H](N2CCN(C(=O)Cn3cnc(C#N)n3)CC2)C1 610885076 IAGNGVMFMWTAEG-ZDUSSCGKSA-N 317.397 -0.612 30 20 DBED C=C[C@](C)(O)C(=O)NC[C@@H](CNC(=O)[C@](C)(O)C=C)OC 613427298 PBVYISNWVJEGTD-OJNYZHBWSA-N 300.355 -0.892 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@H](C)[C@H]2CCC(=O)N2)CC1 623603906 AAGSRGADRDAHPS-CHWSQXEVSA-N 322.409 -0.653 30 20 DBED C=CCOCCNC(=O)N1CCS(=O)(=O)[C@@H]2COCC[C@@H]21 662011285 BSMJYZRFZOOIKU-NWDGAFQWSA-N 318.395 -0.214 30 20 DBED CN(CCC#N)S(=O)(=O)NC[C@H]1CN2CCC[C@H]2CO1 726186633 FGFDUIDPXHAZNY-RYUDHWBXSA-N 302.400 -0.471 30 20 DBED N#CCCNC(=O)COC(=O)c1csc(S(N)(=O)=O)c1 760637062 YGCQCQVDTLGJJL-UHFFFAOYSA-N 317.348 -0.418 30 20 DBED C#CCCN1CCN(C(=O)CCC[C@@]2(C)NC(=O)NC2=O)CC1 771833623 RYXGEBOPPFCCBH-MRXNPFEDSA-N 320.393 -0.078 30 20 DBED CC(C)(C#N)CS(=O)(=O)N1CCCN(S(C)(=O)=O)CC1 798225227 RCNSYTUSRSKPPD-UHFFFAOYSA-N 323.440 -0.167 30 20 DBED C=CCOC[C@H]1NC(=O)N(CCS(=O)(=O)CC2CC2)C1=O 804180952 XARNOGRMUZIVSC-LLVKDONJSA-N 316.379 -0.066 30 20 DBED C#CCNC(=O)CN1C(=O)N[C@](C)(CCC(=O)OCC)C1=O 804924502 QSGNHELIUBAQQS-CQSZACIVSA-N 309.322 -0.610 30 20 DBED CS(=O)(=O)NN=Cc1ccc(S(N)(=O)=O)c(Cl)c1 807976333 JXXQBFPRAQTZHT-UHFFFAOYSA-N 311.772 -0.130 30 20 DBED COCC#CCN(C)CCCc1[nH]nc(N)c1-c1nn[nH]n1 826147254 RBWYXFYRNQPIAA-UHFFFAOYSA-N 304.358 -0.314 30 20 DBED C=CCn1cc(C(=O)OCCN2CCCS2(=O)=O)nn1 830124945 GHSIJHKTBUVCSY-UHFFFAOYSA-N 300.340 -0.344 30 20 DBED C[C@@H]1CN(C(=O)NCCNc2ncccc2C#N)CC(=O)N1 837859333 MOQUKUDCMZFDKK-SNVBAGLBSA-N 302.338 -0.105 30 20 DBED C=CCN(C(=O)C(=O)N1CCN(C(C)(C)C(N)=O)CC1)C(C)C 839245973 GCNNGBMOHJWHOC-UHFFFAOYSA-N 324.425 -0.183 30 20 DBED Cc1ccn(C[C@@](C)(O)C(=O)N[C@H]2CCCN(O)C2=O)c(=O)c1 848134722 YBBYHAVVNJCLKF-XHDPSFHLSA-N 323.349 -0.596 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)Nc1cncc(OC)n1 850726835 ZMUSARVPBAJLDQ-UHFFFAOYSA-N 306.322 -0.078 30 20 DBED C#C[C@H](NC(=O)C(=O)NC[C@H](C(=O)O)C1CCC1)[C@@H]1CCCO1 853345830 KRSONFIELRVELO-AVGNSLFASA-N 322.361 -0.100 30 20 DBED C#CC[C@@H](CO)NC(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 854545553 LLQWIPVLDRDQQU-QPKSUZNQSA-N 320.345 -0.961 30 20 DBED CC(C)(C)OC(=O)N[C@H](CO)C(=O)N[C@H]1CCCN(O)C1=O 861826861 AYUYKLQBLQRQDF-DTWKUNHWSA-N 317.342 -0.632 30 20 DBED C=CCn1nnnc1SCc1nnc2c(=O)n(C)ccn12 882111060 XVFQLTWKRLEHAX-UHFFFAOYSA-N 304.339 -0.107 30 20 DBED C#CC1(O)CN(S(=O)(=O)c2cnn(C3CCOCC3)c2)C1 908228817 RNIGTTORAURLGP-UHFFFAOYSA-N 311.363 -0.397 30 20 DBED COCCNC(=O)[C@H](C#N)C(=O)CCNC(=O)c1ccco1 916893130 WRAIPIGZUQYRBC-SNVBAGLBSA-N 307.306 -0.129 30 20 DBED CNC(=O)[C@H](C#N)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 917004914 DLDOJSGNHAWXCA-SECBINFHSA-N 321.314 -0.714 30 20 DBED CCn1nc(C(=O)N[C@H]2CCN(C(=O)[C@H](C)C#N)C2)ccc1=O 938445728 HFTWJNPSQMJTID-MNOVXSKESA-N 317.349 -0.246 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CN2CCOCC2=O)[C@@H](C)C1 942130072 LQYWJJGNHCADOM-UONOGXRCSA-N 307.394 -0.305 30 20 DBED C=CCN1CC[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)[C@H](C)C1 944136322 SJOCRUVOKZDWGA-VXGBXAGGSA-N 308.382 -0.107 30 20 DBED COc1cc(C(=O)NC[C@H]2CCN2C(=O)[C@@H](C)C#N)nn1C 951318058 GQBOTTIHWQFWFK-VHSXEESVSA-N 305.338 -0.081 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H](NC(=O)c2cc(=O)n(C)cn2)C1 951870415 RZKKEWFEHIYCEC-MNOVXSKESA-N 317.349 -0.339 30 20 DBED C[C@@H](C#N)C(=O)N1CCCC[C@]2(CCN(C(=O)C(N)=O)C2)C1 956566132 VEWSVAVZGFYDDP-NHYWBVRUSA-N 306.366 -0.137 30 20 DBED O=C(Cn1cnnn1)NC1[C@H]2CN(CC#Cc3ccccc3)C[C@H]12 958192968 LWWFTUIGOCSTJH-GJZGRUSLSA-N 322.372 -0.229 30 20 DBED C=CCN1C[C@H](CNC(=O)c2cnn3c(=O)cc[nH]c23)[C@@H](O)C1 958467230 GTUWWKLUHSNIDO-JQWIXIFHSA-N 317.349 -0.769 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2CN(CCCO)C[C@@H]2O)nc1 958602289 DULYMFQIDRKSTO-HIFRSBDPSA-N 303.362 -0.532 30 20 DBED N#Cc1cc(C(=O)NC2[C@@H]3CN([C@@H]4CCCNC4=O)C[C@@H]23)c[nH]1 958618531 SPSZUQHDVFZGBD-JHJVBQTASA-N 313.361 -0.175 30 20 DBED N#Cc1cc(C(=O)NC2[C@@H]3CN([C@H]4CCCNC4=O)C[C@@H]23)c[nH]1 958618534 SPSZUQHDVFZGBD-UPJWGTAASA-N 313.361 -0.175 30 20 DBED N#CCN1C[C@H](CNC(=O)c2ccc3nn[nH]c3c2)[C@@H](O)C1 958662684 XQDRPMPABRZSCS-GWCFXTLKSA-N 300.322 -0.496 30 20 DBED N#CCN1C[C@H](O)[C@H](CNC(=O)c2cc3c(nc2O)CCC3)C1 958668586 YLRZVSLIQQMOQK-RISCZKNCSA-N 316.361 -0.178 30 20 DBED C#CCN1C[C@H]2[C@H](NC(=O)Cn3nnc(-c4ccco4)n3)[C@H]2C1 960727794 HVYIDMVUZMJSGN-YABSGUDNSA-N 312.333 -0.387 30 20 DBED N#CCN1C[C@H]2C(NC(=O)[C@@H]3CCc4nncn4CC3)[C@@H]2C1 961270248 SQCMIEHPYUQBSN-IJLUTSLNSA-N 300.366 -0.199 30 20 DBED C#CCN1C[C@@H]2C(NC(=O)c3c(OC)ncnc3OC)[C@H]2C1 963063988 APARNMHEPVZTBN-UWVGGRQHSA-N 302.334 -0.213 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CN(C(=O)c3cccnn3)CCO2)C1 965457966 WZDHFHZMUDNJJF-NSHDSACASA-N 315.333 -0.310 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(C[C@H](NC(=O)c3cccnn3)CO2)C1 965791465 MRCGAUPGDIJKLH-QWRGUYRKSA-N 315.333 -0.264 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@@H](NCc3nc(O)n[nH]3)C2)c1 968341515 SCVRRNDKRKBJCT-SECBINFHSA-N 301.310 -0.286 30 20 DBED Cc1ncc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)c(C)n1 969724576 MDLQUECPCLUILL-CKLFPEKLSA-N 317.349 -0.445 30 20 DBED C=CCn1cc(C(=O)N2CC[C@@H](NCc3ncnn3C)C2)nn1 970206213 QXEJVOAPNGJLMU-LLVKDONJSA-N 316.369 -0.403 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)c3ccc(=O)n(C)c3)C2)C1 972448723 CLXDEIKQAJUSAY-KRWDZBQOSA-N 315.373 -0.065 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)c3cnn(C)n3)[C@@H]2C1 974526322 QPHUQTYBRCKTKP-CKYFFXLPSA-N 302.338 -0.352 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]2CCN(C(=O)Cn3cncn3)[C@H]2C1 975963770 NUCDYISKFCRCPZ-AGIUHOORSA-N 316.365 -0.113 30 20 DBED N#CCN1CCCC2(C1)CN(C(=O)C1CC(=O)NC(=O)C1)C2 982070070 KPWPIFHEYOMYQB-UHFFFAOYSA-N 304.350 -0.513 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2nc[nH]n2)C1 983320984 QZKGVOSVFMQKSX-UTUOFQBUSA-N 319.365 -0.026 30 20 DBED NC(=O)C(=O)N1C[C@H]2CC[C@H]1[C@@H]1CN(C(=O)C#CC3CC3)C[C@H]21 984252459 NVUQCOHXQUZILN-SYQHCUMBSA-N 315.373 -0.420 30 20 DBED C[C@@H]1[C@@H](NCCN2C(=O)CNC2=O)CCN1C(=O)C#CC1CC1 986288453 UVIGNBJEYSYOGG-YPMHNXCESA-N 318.377 -0.469 30 20 DBED COC(=O)[C@H]1C[C@H]1C(=O)NC1CN(C(=O)c2cc(C#N)c[nH]2)C1 990456687 MVFVHEZTYXLOJN-MNOVXSKESA-N 316.317 -0.364 30 20 DBED C#CCN[C@@H]1CN(C(=O)CN2C(=O)CN(C)C2=O)CC1(C)C 996583622 IBRKOORCXZAXOE-LLVKDONJSA-N 306.366 -0.660 30 20 DBED COCCN1C[C@H](C(=O)N(C)C2CC(NCC#N)C2)CC1=O 998863522 SDMDWGMAHLQCMJ-PNESKVBLSA-N 308.382 -0.416 30 20 DBED C#Cc1cncc(C(=O)NC2CN(C(=O)[C@H]3CCN(C)C3)C2)c1 999319899 NXDNSJJICXDWOO-ZDUSSCGKSA-N 312.373 -0.045 30 20 DBED N#CCN1CC[C@H](n2cc(CNC(=O)[C@@H]3COCCO3)nn2)C1 999955463 KWNZGJBOBZHAMA-STQMWFEESA-N 320.353 -0.920 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCC1CCN(CC(N)=O)CC1 1001492537 SHCUFMLDNNVKSM-AWEZNQCLSA-N 306.410 -0.603 30 20 DBED C#CCN1CCC(NC(=O)c2ccc(S(N)(=O)=O)o2)CC1 1003245305 YFMJBFGRLJOHHR-UHFFFAOYSA-N 311.363 -0.246 30 20 DBED C#CCN1CCC(C(=O)N[C@H](C)C2CN(C(=O)COC)C2)CC1 1006244709 PTIHCCMEEGXASR-CYBMUJFWSA-N 321.421 -0.059 30 20 DBED Cn1nnc(CN2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)n1 1010458463 RWWGXZWWWZZEBY-JTQLQIEISA-N 300.326 -0.586 30 20 DBED C[C@@H]1[C@H](NC(=O)c2ncn(C)n2)CCN1C(=O)C#CC1CC1 1011740317 ZVIKSGSGVUAEIY-ZYHUDNBSSA-N 301.350 -0.052 30 20 DBED C[C@H]1C[C@@H](NC(=O)Cn2cnnn2)CN1C(=O)C#CC1CC1 1012582657 SCZXSVXCSZQZBF-CMPLNLGQSA-N 302.338 -0.808 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2C(NC(=O)Cc3ccnn3C)[C@H]2C1 1013017622 MAKZGEIUPYFJRU-USWWRNFRSA-N 301.350 -0.305 30 20 DBED C#Cc1ccc(C(=O)NC2[C@H]3CN(C(=O)c4cnon4)C[C@H]23)nc1 1013508541 NKCGVLONXJQKQB-QWRGUYRKSA-N 323.312 -0.054 30 20 DBED C=CCN1CC[C@H](N2CC[C@@H](NC(=O)Cn3cncn3)C2)C1=O 1016193275 VUUDCKLJGPSWCD-OLZOCXBDSA-N 318.381 -0.745 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(CN(C(=O)C[C@@H]3CCC(=O)N3)C2)C1 1019183824 USJZWNLPBJRAKL-RYUDHWBXSA-N 318.377 -0.124 30 20 DBED C=CCn1cc(C(=O)N2CCO[C@@H]3CCN(C(C)=O)C[C@@H]32)nn1 1019819389 OWFKTPNYQSGEEL-UONOGXRCSA-N 319.365 -0.074 30 20 DBED N#Cc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cnco3)C2)c[nH]1 1024847714 RMUYMMCXRCMCFS-GHMZBOCLSA-N 315.289 -0.510 30 20 DBED C#Cc1ccc(C(=O)N2C[C@H]3[C@@H](NCC(N)=O)CC[C@H]3C2)cn1 1026402128 HNQDUERWAIXHEW-CFVMTHIKSA-N 312.373 -0.012 30 20 DBED COCCN1C[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3CC#N)CC1=O 1032432267 ZTVUOKCTSBTEEC-AVGNSLFASA-N 306.366 -0.710 30 20 DBED Cc1cc(C)n(CC(=O)N(C)[C@H]2CCN(CC#N)C2)c(=O)n1 1033529356 LODQQTHKMYXONL-ZDUSSCGKSA-N 303.366 -0.084 30 20 DBED N#CCN1CCO[C@H](CNC(=O)c2cncc3nc[nH]c23)C1 1035380748 YVSCVMYYCCKUQO-SNVBAGLBSA-N 300.322 -0.088 30 20 DBED C=CCCN1CCO[C@H](CNC(=O)c2ccc(=O)n(C)n2)C1 1035596499 CBDUHYHADONSQF-GFCCVEGCSA-N 306.366 -0.213 30 20 DBED N#CCN1CCO[C@H](CNC(=O)c2ccc(C(N)=O)cn2)C1 1035619772 BDKFXNGXIYWYQU-LLVKDONJSA-N 303.322 -0.865 30 20 DBED C#CCN[C@H]1CCN(C(=O)CN2C(=O)CN(C)C2=O)C[C@@H]1C 1036281029 BLHFHXDEQGARCW-RYUDHWBXSA-N 306.366 -0.660 30 20 DBED C=CCCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1cn(CC(N)=O)nn1 1037742844 IRXWVFYSLFWUCL-SUZMYJTESA-N 304.354 -0.858 30 20 DBED CC#CCN1CC[C@@H]1CNC(=O)c1ccc(-n2cnnn2)cn1 1038550616 OZRGBVUOBXHJGK-GFCCVEGCSA-N 311.349 -0.115 30 20 DBED C=C(C)CCN1CC[C@@H]1CNC(=O)c1cn(CC(N)=O)nn1 1039044161 VSLGJQYPFATMBI-LLVKDONJSA-N 306.370 -0.466 30 20 DBED CCNC(=O)CC(=O)N1CC[C@](O)(CNC(=O)C#CC(C)C)C1 1039663124 AOEDMVFPLALWEF-INIZCTEOSA-N 323.393 -0.748 30 20 DBED C[C@@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)c2ccncc2)C1 1040759681 CHSQFPKWEGNVJT-XHDPSFHLSA-N 302.334 -0.066 30 20 DBED C[C@@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)c2cc(C#N)c[nH]2)C1 1040760069 FGPMCVFEJDZCTO-ZUZCIYMTSA-N 315.333 -0.261 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)C(C)(C)F)C1 1041140278 WABBIHRMLUEIPX-UHFFFAOYSA-N 300.330 -0.536 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)[C@H](C)NC(=O)CC)C1 1042805924 VNVAGWYROKQXTL-LBPRGKRZSA-N 323.393 -0.606 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)c2cnc(O)n2C)C1 1042807525 VJFNMZVACLEXQJ-UHFFFAOYSA-N 320.349 -0.768 30 20 DBED C#CCC1(C(=O)N2CC(O)(CNC(=O)c3ncc[nH]3)C2)CCC1 1042935493 SFGOYWDYWAYMMS-UHFFFAOYSA-N 316.361 -0.094 30 20 DBED C=CCCCC(=O)N1CC(O)(CNC(=O)[C@H]2CCN(C)C2)C1 1043116814 QZXMTKZTSWFBBC-ZDUSSCGKSA-N 309.410 -0.016 30 20 DBED C=CCN1CC(N(C)C(=O)Cn2ncn3nccc3c2=O)C1 1043998507 SLCQBHWMWOUNPH-UHFFFAOYSA-N 302.338 -0.780 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)c2[nH]nnc2C)C1 1044374556 ADJGJDIMLFSZEQ-UHFFFAOYSA-N 307.354 -0.372 30 20 DBED C=C[C@@H](C)[C@@H](C)C(=O)NCC1(O)CN(C(=O)CNC(C)=O)C1 1044976347 UMVJIINVXJTGBE-GHMZBOCLSA-N 311.382 -0.730 30 20 DBED C=CCN1CCC2(CC1)CO[C@@H](CNC(=O)[C@H]1CNC(=O)N1)C2 1045677938 GCBODOQBODDFHM-CHWSQXEVSA-N 322.409 -0.159 30 20 DBED C#CCN1CCC2(CC1)CO[C@@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)C2 1045679312 IHARGYJQAPGFHM-MCIONIFRSA-N 319.405 -0.272 30 20 DBED C=CCN1CC[C@@H](N2CCN(C(=O)[C@]3(C)CCNC3=O)CC2)C1 1046062449 UYJFEARGNGBBJH-RHSMWYFYSA-N 320.437 -0.083 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC(=O)N2C(C)C)C1 1047500370 DXAWXFOWFBOFAU-KKUMJFAQSA-N 321.421 -0.087 30 20 DBED C=CCCC(=O)N(C)[C@H]1CN(C(=O)Cc2cncn2C)C[C@@H]1O 1048527914 RCEABSZLVHBPRY-KBPBESRZSA-N 320.393 -0.041 30 20 DBED C=CCCC(=O)N(C)[C@H]1CN(C(=O)CCc2cnn[nH]2)C[C@@H]1O 1048530281 BFFZTUXJELEGNM-STQMWFEESA-N 321.381 -0.266 30 20 DBED COCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C#N)c[nH]2)C1 1048637716 YXPJXXCANOLZJA-STQMWFEESA-N 320.349 -0.433 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCN(Cc3nnnn3C)CC2)C1 1050463058 HVFYLKUHNUENJW-LLVKDONJSA-N 303.370 -0.206 30 20 DBED C=C(C)CCN1CCOC[C@H]1CNC(=O)c1nnc(O)nc1O 1051010262 PXCTXCRNCOIUMC-SNVBAGLBSA-N 323.353 -0.320 30 20 DBED C#CCCN1CCOC[C@H]1CNC(=O)c1ccc(C(N)=O)o1 1051013105 KJERMRIKLDJARL-LLVKDONJSA-N 305.334 -0.168 30 20 DBED Cc1nn2cccnc2c1C(=O)NC[C@@H]1COCCN1CC#N 1051249324 NZJRRCRGXNTYRH-GFCCVEGCSA-N 314.349 -0.008 30 20 DBED C[C@]1(C(=O)N2CC[C@H](N3CCN(CC#N)CC3)C2)CNC(=O)C1 1052057314 MSWWVVAMLXTBAZ-XJKSGUPXSA-N 319.409 -0.745 30 20 DBED C#CCN1CCN([C@H]2CCN(C(=O)c3cnn(C)n3)C2)CC1 1052098138 DXXUQDKEVZUOQQ-ZDUSSCGKSA-N 302.382 -0.720 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)[C@H]3CC(=O)N(C(C)C)C3)CO2)C1 1053818745 VPNSWCUQSDQRPV-KBPBESRZSA-N 319.405 -0.164 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)c3cc4n(n3)CCO4)CO2)C1 1053831073 ULBSYSLAMGCNCM-NSHDSACASA-N 302.334 -0.518 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)c3nccn4ccnc34)CO2)C1 1053928527 CXKUAEICZNWQHN-NSHDSACASA-N 312.333 -0.174 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@](CO)(NC(=O)CSCC#N)C1 1055786228 SSGZNUKOMLARKU-FZMZJTMJSA-N 324.406 -0.127 30 20 DBED C=CCOCC(=O)N[C@@]1(CO)CCCN(C(=O)c2cc[nH]n2)C1 1055832392 WFIAQHBMXMSXMR-HNNXBMFYSA-N 322.365 -0.304 30 20 DBED C[C@H](C#N)C(=O)N[C@@]1(CO)CCCN(C(=O)c2ccnn2C)C1 1056093328 JXNPNDHSZXXTFX-ABAIWWIYSA-N 319.365 -0.337 30 20 DBED N#Cc1cccnc1N1C[C@H]2C(NC(=O)[C@H]3COC(=O)N3)[C@@H]2C1 1056193990 JSRWIWHQNWGACT-GMTAPVOTSA-N 313.317 -0.388 30 20 DBED CN(c1cncc(C#N)n1)[C@@H]1CCN(C(=O)[C@H]2COCCO2)C1 1056868422 DCMNGHDDZTVEOM-CHWSQXEVSA-N 317.349 -0.199 30 20 DBED CN(c1cnc(C#N)cn1)[C@@H]1CCN(C(=O)Cn2nccn2)C1 1056972716 QEEBRSJTDWMMHE-GFCCVEGCSA-N 312.337 -0.323 30 20 DBED N#Cc1cc(C(=O)NCCN(CCO)C(=O)[C@H]2CCOC2)c[nH]1 1057145737 IALBVKQCUIHPEL-NSHDSACASA-N 320.349 -0.526 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)[C@H](C1CC1)N(C)C 1057524976 ZAMRGPRYUPLSKJ-INIZCTEOSA-N 323.437 -0.077 30 20 DBED C#CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)c1cc(C)on1 1057583113 HKBZSBZKLSWVND-LBPRGKRZSA-N 323.349 -0.428 30 20 DBED C#CCO[C@H](C)C(=O)N(CCO)CCNC(=O)c1ccco1 1057583412 PHRFPKDTWRGMNN-GFCCVEGCSA-N 308.334 -0.131 30 20 DBED Cc1cc(C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N)nc(C)n1 1058092662 XACCIISNTUQERH-JTQLQIEISA-N 319.365 -0.196 30 20 DBED C=CC(C)(C)C(=O)N(CCO)CCNC(=O)[C@@H]1COC(=O)N1 1058302492 VERJUVRNZWYYLQ-JTQLQIEISA-N 313.354 -0.756 30 20 DBED Cn1oc(C(=O)N[C@H]2CCN(c3ccc(C#N)nn3)C2)cc1=O 1058336024 KYOLMFFGOQOVOQ-JTQLQIEISA-N 314.305 -0.351 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC[C@@H](CCNC(=O)CC(N)=O)C1 1059555191 OILOYMZIPRDUCC-IAQYHMDHSA-N 311.382 -0.456 30 20 DBED N#Cc1cnc(N2CCC[C@H]2CNC(=O)[C@@H]2CCNC2=O)cn1 1061422347 GPZQKYGRXHVVSX-NWDGAFQWSA-N 314.349 -0.431 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@H]1COCCN1C(=O)c1cocn1 1061542564 KZQZKNJNNRDFFT-IAQYHMDHSA-N 323.349 -0.041 30 20 DBED C[C@@H](CC(N)=O)C(=O)N1CCOC[C@@H]1CNC(=O)C#CC1CC1 1061573779 YBVCJJWRWLSKRM-AAEUAGOBSA-N 321.377 -0.745 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)c1ccn(C)n1 1061852467 IPORMCMUKPPTKJ-WDEREUQCSA-N 305.338 -0.463 30 20 DBED C=CCOCC(=O)N1CCCC[C@@H]1CNC(=O)[C@H]1CNC(=O)N1 1062070092 WZDHGXOLOSJQHI-VXGBXAGGSA-N 324.381 -0.632 30 20 DBED C#Cc1ccc(C(=O)N2CCCC[C@@H]2CNC(=O)C(N)=O)nc1 1062290167 VNBXCMUMISSURE-GFCCVEGCSA-N 314.345 -0.341 30 20 DBED C#CCO[C@@H](C)C(=O)NC1(CNC(=O)CN(C)C(C)=O)CCC1 1062582451 XELDQSBXNPFYDF-LBPRGKRZSA-N 323.393 -0.342 30 20 DBED CN(C(=O)[C@H]1CNC(=O)N1)[C@H]1CCN(c2ccc(C#N)cn2)C1 1063024919 KYLOLALGJRBKNL-NWDGAFQWSA-N 314.349 -0.328 30 20 DBED C#Cc1ccc(C(=O)NC2(CNC(=O)C(N)=O)CCC2)nc1 1064289591 BNGYTHFNSGYZLA-UHFFFAOYSA-N 300.318 -0.683 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@H]1CN(C(=O)c2cc[nH]n2)CCO1 1064887016 BHHGCTLGKBHCCI-IAQYHMDHSA-N 322.365 -0.306 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CN(C(=O)Cc2cncn2C)CCO1 1065373939 JVIGOEHJNIKEQB-WCQYABFASA-N 319.365 -0.534 30 20 DBED CC(C)C#CC(=O)N1CCC[C@H](NC(=O)[C@@H]2CNC(=O)N2)CC1 1066459411 ZZVQMOKGHFFSKS-STQMWFEESA-N 320.393 -0.176 30 20 DBED N#Cc1nc(=NCC2CC(NC(=O)[C@H]3COCCO3)C2)cc[nH]1 1067833549 NHSCZZMACXWITO-HTAVTVPLSA-N 317.349 -0.508 30 20 DBED CCOCC(=O)N1CCOC2(CN(C(=O)C#CC3CC3)C2)C1 1068285187 QZQOCDJLQTYQFB-UHFFFAOYSA-N 306.362 -0.124 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1COC2(C1)CN(C(=O)c1cnn(C)c1)C2 1069003142 KHSOHKQSSAMFJD-JQWIXIFHSA-N 317.349 -0.321 30 20 DBED CC#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)Cc2cnc[nH]2)C1 1070039344 ALMWJAVVVWVXFU-KGLIPLIRSA-N 313.365 -0.391 30 20 DBED C=CCN[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)C[C@H]1c1cn(C)cn1 1070555944 CXPKINBADYNYCO-SGMGOOAPSA-N 317.393 -0.231 30 20 DBED O=C1CCN(C(=O)C#CC2CC2)CCN(CCCO)CCN1 1070961289 RPOBYNQLOPIMRU-UHFFFAOYSA-N 307.394 -0.567 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1C 1071918265 MUHNOFRROCOQKN-TVQRCGJNSA-N 317.349 -0.401 30 20 DBED C[C@H](C#N)C(=O)NC1(C)CCN(C(=O)Cn2cncn2)CC1 1073265966 SQFFGJAIDKUOLQ-LLVKDONJSA-N 304.354 -0.065 30 20 DBED CCn1nnc(C)c1C(=O)NC[C@@H]1CN(CC#N)CCCO1 1073631270 PHUKJLVRASFBKA-GFCCVEGCSA-N 306.370 -0.049 30 20 DBED C#CCOCCC(=O)N1CCC(O)(CNC(=O)COC)CC1 1074586646 CAJLMIHKOVLOFQ-UHFFFAOYSA-N 312.366 -0.858 30 20 DBED C=CCCC(=O)NCC1(O)CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 1074698069 KAGROKOITKLSLW-NSHDSACASA-N 324.381 -0.896 30 20 DBED C#CCC1(C(=O)N[C@@H](C)CCNC(=O)Cn2cnnn2)CCC1 1075562591 RKYUQNCVAYIORM-LBPRGKRZSA-N 318.381 -0.122 30 20 DBED C#CCO[C@@H](C)C(=O)NCC[C@H](C)NC(=O)c1[nH]nnc1C 1076511852 HRMAINARCHJIBW-ONGXEEELSA-N 307.354 -0.224 30 20 DBED C=CCCOCC(=O)N[C@@H](C)CCNC(=O)[C@H]1CCNC1=O 1077729187 HFFPGQLHHNYIFH-NWDGAFQWSA-N 311.382 -0.274 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC[C@@H](N(C)C(=O)C(N)=O)CC1 1079051994 INWHRDPQFWIHDY-VXGBXAGGSA-N 309.366 -0.651 30 20 DBED C=CCOCC(=O)N1C[C@H](CNC(=O)c2cc(C)on2)[C@@H](O)C1 1081231639 OKHRYVYMAGBZIW-AAEUAGOBSA-N 323.349 -0.265 30 20 DBED CCOCCC(=O)NC[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1081342373 XZFVFCCQTYSOPW-ZIAGYGMSSA-N 308.378 -0.238 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cnc(C)[nH]2)C1 1081345821 AMDKHROJSNEKIQ-YPMHNXCESA-N 322.365 -0.530 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2nnn(C)c2C)C1 1081362206 GGOVDGIGNBCPNZ-VXGBXAGGSA-N 321.381 -0.361 30 20 DBED COCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 1081419252 JVLNCSLSOXHINI-DGCLKSJQSA-N 320.349 -0.528 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)c2ccn(C)n2)C[C@H]1O 1081445167 RSVYYMAJYQZFBG-GXTWGEPZSA-N 318.377 -0.227 30 20 DBED CC(C)N(C)CC(=O)N1C[C@H](O)[C@H](CNC(=O)C#CC2CC2)C1 1081474262 OYEVDBMBVQJVIY-CABCVRRESA-N 321.421 -0.325 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cnon2)C1 1081685526 TYYFUAKLSLWRBD-PWSUYJOCSA-N 306.322 -0.578 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@H]1CCCCN1C(=O)CC(N)=O 1081972386 VKUPXFSQINLKAK-NHYWBVRUSA-N 311.382 -0.314 30 20 DBED C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1N[C@@H]1CCNC1=O 1082464872 OFBSOUSCGSJNFF-IRUJWGPZSA-N 301.350 -0.175 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)c2ccn3nnnc3c2)C1 1083695563 HPLQLQOAOPFROT-MNOVXSKESA-N 322.756 -0.348 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)Cn2c(C)cc(C)nc2=O)C1 1083892393 YHCIUTHMGKPVIW-OLZOCXBDSA-N 306.366 -0.793 30 20 DBED CN(C[C@@H]1CCN1[C@@H]1CCNC1=O)C(=O)c1c[nH]c(C#N)c1 1085556684 XHVVBNAKMFEAPE-QWHCGFSZSA-N 301.350 -0.079 30 20 DBED C#CCN1CCC(C(=O)N(C)C[C@@H]2CCN2[C@@H](C)C(N)=O)CC1 1085987072 SYXMRYLYIHDSCP-ZFWWWQNUSA-N 320.437 -0.262 30 20 DBED CC(=O)N(C)CC(=O)N[C@@H](C)C[C@@H](C)N=c1cc[nH]c(C#N)n1 1089249969 XYJJJTLUTVVTFJ-MNOVXSKESA-N 318.381 -0.056 30 20 DBED COCC(=O)N[C@@H]1CN(c2ncc(C#N)cc2Cl)C[C@H]1O 1090365055 GXRREYDHJKUERG-GHMZBOCLSA-N 310.741 -0.081 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2ccn3nnnc3c2)[C@@H](O)C1 1090484548 BJJZTNJCXQSZLJ-OLZOCXBDSA-N 314.349 -0.687 30 20 DBED CNC(=O)c1cccc(C(=O)N[C@H]2CCN(CC#N)C[C@H]2O)n1 1090767383 JDKYQFDIBKHNSB-GXFFZTMASA-N 317.349 -0.870 30 20 DBED C#CCCN1CC[C@H](NC(=O)C2CCN(C(N)=O)CC2)[C@H](O)C1 1090795898 LYQUTBGIMMTIAY-UONOGXRCSA-N 322.409 -0.648 30 20 DBED CC(=O)N[C@H](C)C(=O)N[C@H]1CCN(c2ccc(C#N)nn2)[C@@H]1C 1091922606 KYPXRGQOWHRQBZ-BREBYQMCSA-N 316.365 -0.044 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)Cn3nccn3)c3nccn32)C1 1092371789 CIQQQBLRTCUAOD-GFCCVEGCSA-N 311.349 -0.620 30 20 DBED CCC(=O)NCC(=O)NC1[C@H]2CN(c3cnc(C#N)cn3)C[C@H]12 1093234203 ITGCONWQHNRWHE-QWRGUYRKSA-N 314.349 -0.575 30 20 DBED CNC(=O)CC(=O)N[C@H]1[C@@H]2CN(c3cncc(C#N)n3)C[C@@H]21 1093241850 MNHNGJMNWXIAEX-MSRIBSCDSA-N 300.322 -0.965 30 20 DBED N#Cc1nc(=NCCNC(=O)[C@@H]2CCC[C@H](C(N)=O)C2)cc[nH]1 1093861614 CJQYIURMCFESDK-WDEREUQCSA-N 316.365 -0.410 30 20 DBED CC#CCN1CC(N2C[C@H](NC(=O)[C@@H]3CCCO3)CC2=O)C1 1094702025 UIPMWEBBFPQRDE-OCCSQVGLSA-N 305.378 -0.410 30 20 DBED CN1CCC(C(=O)N[C@H]2CC(=O)N(C3CN(CC#N)C3)C2)CC1 1094777648 ZUVDJHWVBIFKDL-ZDUSSCGKSA-N 319.409 -0.747 30 20 DBED Cn1cc(C(=O)NCCCN=c2cc[nH]c(C#N)n2)ccc1=O 1094881046 QTMICZIULTXECD-UHFFFAOYSA-N 312.333 -0.299 30 20 DBED N#Cc1nccnc1N1CCC[C@@H](NC(=O)CNC(N)=O)C1 1096136469 JCJUIRFZKXTRJB-SECBINFHSA-N 303.326 -0.898 30 20 DBED CC(C)(C(N)=O)C(=O)N[C@@H]1CCCN(c2ccnc(C#N)n2)C1 1096211223 ASHZVRBYKXXMOD-SNVBAGLBSA-N 316.365 -0.055 30 20 DBED Cc1cc(C#N)nc(N2CC[C@@H](NC(=O)C3(C(N)=O)CC3)C2)n1 1096475986 MBBUZRJXPMZJMV-SNVBAGLBSA-N 314.349 -0.383 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](Nc1nccn2nnnc12)C1CC1 1096597566 DDXNSBANRRHDMC-SCZZXKLOSA-N 300.326 -0.014 30 20 DBED C#CCN(CCO)C1CCN(C(=O)c2cc(C(N)=O)c[nH]2)CC1 1098513759 AWWCNNHVKBRLLK-UHFFFAOYSA-N 318.377 -0.354 30 20 DBED C[C@@H](CCNC(=O)[C@H](C)NC(N)=O)Nc1cncc(C#N)n1 1099041687 WLXRXVKHNPJFHP-IUCAKERBSA-N 305.342 -0.288 30 20 DBED C#CCN1C[C@@H](NC(=O)CNC(=O)NC)CC2(CCOCC2)C1 1099583154 KPJKCQTXBWJLGL-ZDUSSCGKSA-N 322.409 -0.464 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(CC(=O)N(C)CC)C[C@@H]1O 1099741317 QTBWGHPPFKMSSG-STQMWFEESA-N 313.398 -0.781 30 20 DBED C[C@@H](CCNC(=O)[C@H]1CCC(=O)NC1)N=c1cc[nH]c(C#N)n1 1099775600 WHMPUTISVQLMOW-QWRGUYRKSA-N 316.365 -0.397 30 20 DBED CN1C[C@H](C(=O)NCCN(C)c2ncccc2C#N)NC1=O 1100255307 IXPOUOMTWLFGFZ-LLVKDONJSA-N 302.338 -0.471 30 20 DBED CN(CCNC(=O)c1ccnc2[nH]nnc12)c1cncc(C#N)n1 1100414788 FSNIQDSBMKZUIM-UHFFFAOYSA-N 323.320 -0.119 30 20 DBED CCN(CCNC(=O)Cn1cnnn1)c1ccc(C#N)cn1 1100439609 KRYWXWGUUWHKJV-UHFFFAOYSA-N 300.326 -0.418 30 20 DBED CCN(CCNC(=O)[C@@H]1COCCO1)c1ccc(C#N)nn1 1100479582 DPRMEMXWTRDPBL-LBPRGKRZSA-N 305.338 -0.294 30 20 DBED CCN(CCNC(=O)CCNC(N)=O)c1ccc(C#N)nn1 1100529322 WDVBUGBAPGOGRY-UHFFFAOYSA-N 305.342 -0.651 30 20 DBED CCN(CCNC(=O)Cn1ncnn1)c1nc(C)cc(C#N)n1 1100624919 IFEDVGJKOGUVTL-UHFFFAOYSA-N 315.341 -0.714 30 20 DBED CC(=O)N[C@H](C)C(=O)NC[C@@H]1CCN(c2cnc(C#N)cn2)C1 1100921863 OHNGZAAFZKYLOB-PWSUYJOCSA-N 316.365 -0.185 30 20 DBED CCCN(CCNC(=O)CCNC(N)=O)c1cncc(C#N)n1 1101144990 BNAZLJFCPSKFQD-UHFFFAOYSA-N 319.369 -0.261 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)Cn2ccnc2)C1 1102616368 XIBDCOOKKNDWKJ-ZIAGYGMSSA-N 317.393 -0.683 30 20 DBED CN(C(=O)CNC(N)=O)[C@@H]1CCN(c2cncc(C#N)n2)C1 1102668861 WANPFZZIQFQQCH-SNVBAGLBSA-N 303.326 -0.946 30 20 DBED CC[C@@H](CNC(=O)C[C@@H]1CCNC1=O)N=c1cc[nH]c(C#N)n1 1103214449 SEVHUWQVQADDFX-QWRGUYRKSA-N 316.365 -0.397 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)CCn1cnnn1 1104648579 XTQHKXJWXJZVBG-JTQLQIEISA-N 315.341 -0.894 30 20 DBED C[C@H](CNc1nccnc1C#N)N(C)C(=O)[C@@H]1CN(C)C(=O)N1 1104766013 BELQUQXJMUIFSM-KOLCDFICSA-N 317.353 -0.369 30 20 DBED C[C@H](CNc1ccc(C#N)nn1)N(C)C(=O)[C@H]1CN(C)C(=O)N1 1104766782 RKJXDENZSIAXEE-MWLCHTKSSA-N 317.353 -0.369 30 20 DBED C#CCCNCc1cn(C2CN(C(=O)[C@H]3CCCO3)C2)nn1 1105147483 WZXXQOFWFKQOBQ-CQSZACIVSA-N 303.366 -0.047 30 20 DBED C#CCCNCc1cn(C2CN(C(=O)c3ccncn3)C2)nn1 1105348129 WDRPRBMPFSEFIK-UHFFFAOYSA-N 311.349 -0.122 30 20 DBED CN(CCN(C)c1cncc(C#N)n1)C(=O)Cn1cnnc1O 1105387784 IUDAAZRXIJAHHR-UHFFFAOYSA-N 316.325 -0.760 30 20 DBED CN(CCN(C)c1ccnc(C#N)n1)C(=O)[C@]1(C)CNC(=O)C1 1105510876 UBTBVICEXLLALP-HNNXBMFYSA-N 316.365 -0.231 30 20 DBED CN(CCN(C)c1ncc(C#N)cc1F)C(=O)c1nnn(C)n1 1105535673 SBBIZAJIASBJCD-UHFFFAOYSA-N 318.316 -0.176 30 20 DBED Cc1cc(N(C)CCN(C)C(=O)[C@@H]2CNC(=O)N2)c(C#N)cn1 1105542353 JKSFNOZLTBSIPK-LBPRGKRZSA-N 316.365 -0.162 30 20 DBED COC[C@@H](OC)C(=O)N(C)CCN(C)c1cnc(C#N)cn1 1105562782 SIKPFRYJQKUDPW-GFCCVEGCSA-N 307.354 -0.096 30 20 DBED N#Cc1nc(=NC[C@@H](O)CNC(=O)C2CCOCC2)cc[nH]1 1105700383 FHMHWGBJYFVEFH-LLVKDONJSA-N 305.338 -0.914 30 20 DBED COC(=O)NCC(=O)NC[C@@H](O)CNc1ccc(C#N)nc1 1105723561 SDGTYDCUVFHQOU-NSHDSACASA-N 307.310 -0.802 30 20 DBED CCNC(=O)CCC(=O)NC[C@@H](O)CNc1ccc(C#N)nc1 1105746434 HTALBWJFPSXMJC-ZDUSSCGKSA-N 319.365 -0.241 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@H](O)CN=c1cc(C)[nH]cc1C#N 1105805725 HSFSIIWFHUQYPT-CJNGLKHVSA-N 318.377 -0.100 30 20 DBED Cc1nccc(C(=O)NC[C@H](O)CN=c2cc[nH]c(C#N)n2)n1 1105861405 GFNZIPNVHWMVMF-SNVBAGLBSA-N 313.321 -0.929 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)CO[C@@H]2CCOC2)cn1 1105973562 ZKOYXABFLMZWQZ-UONOGXRCSA-N 320.349 -0.352 30 20 DBED Cc1nc(O)[nH]c1C(=O)NC[C@H](O)CNc1ncccc1C#N 1106000563 HYYUYUOQHSNOSV-SNVBAGLBSA-N 316.321 -0.107 30 20 DBED N#Cc1cnc(NC[C@H](O)CNC(=O)c2csc(O)n2)cn1 1106066926 NIPRMWLGWADDDR-QMMMGPOBSA-N 320.334 -0.287 30 20 DBED C=C(C)CNC[C@@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@H]1C 1106151773 ZYDHHCCHFXESEU-VXGBXAGGSA-N 320.397 -0.363 30 20 DBED C[C@@H](C#N)C(=O)NCc1cn(C2CN(C[C@H]3CCOC3)C2)nn1 1107149551 INSVGXXXPNHUMX-NWDGAFQWSA-N 318.381 -0.053 30 20 DBED CC(C)[C@H](C(=O)NCc1cn(C2CN(CC#N)C2)nn1)N(C)C 1107207077 SZEIYCLDVNTETR-CQSZACIVSA-N 319.413 -0.139 30 20 DBED C[C@@]1(C(=O)NC/C=C/CNc2cncc(C#N)n2)CNC(=O)C1 1107421503 GQGZFCSBVDKVDF-FAAWYNLUSA-N 314.349 -0.041 30 20 DBED CN1C[C@@H](C(=O)NC/C=C\CNc2cnc(C#N)cn2)NC1=O 1107450271 CTRNAKZKZPKSSX-QUCGXOGASA-N 315.337 -0.544 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)COC[C@H]1CCCO1 1107826312 ASJREXCALVPWIX-VXGBXAGGSA-N 319.365 -0.118 30 20 DBED C#CCCN1CCO[C@@](C)(CNC(=O)[C@@H]2CN(C)CCO2)C1 1107839084 JTTHBLKUTLFOMA-HOCLYGCPSA-N 309.410 -0.453 30 20 DBED C[C@H](CN=c1cc[nH]cc1C#N)NC(=O)c1cc(=O)n(C)cn1 1108185998 IXLPZKLLVXUKDL-SNVBAGLBSA-N 312.333 -0.301 30 20 DBED C[C@@H](CNc1cncc(C#N)n1)NC(=O)[C@H]1CCC(=O)N1C 1108662894 SZVDNLBXBGJMBN-GXSJLCMTSA-N 302.338 -0.114 30 20 DBED C#CCN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCNC(=O)COC)C2 1108700046 SZXIJFHEGCTWLS-IHRRRGAJSA-N 307.394 -0.259 30 20 DBED COCC#CCN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1nnn(C)n1)C2 1108740000 CNWYDUXTQJFVDP-AVGNSLFASA-N 318.381 -0.557 30 20 DBED N#Cc1nccnc1NC[C@H](NC(=O)[C@H]1CCNC1=O)C1CC1 1109945492 HBIJPLFBEOGDAI-JQWIXIFHSA-N 314.349 -0.209 30 20 DBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)COCC1CC1 1110324145 ZJYZLYUDTPEGLT-MCIONIFRSA-N 320.393 -0.226 30 20 DBED CC(C)(O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1110501998 CUCQSYYFBNVPGI-UTUOFQBUSA-N 308.382 -0.491 30 20 DBED CCOCC(=O)NC[C@]1(O)CCN(c2nccnc2C#N)C1 1111022023 FXNTXDXAOVNUCV-CQSZACIVSA-N 305.338 -0.558 30 20 DBED COCCC(=O)N[C@]1(CO)CCCN(c2cncc(C#N)n2)C1 1111330279 YLQNJIHKLKNECB-OAHLLOKOSA-N 319.365 -0.168 30 20 DBED C[C@@H](C#N)C(=O)N[C@]1(CO)CCCN(c2ccc(C#N)nn2)C1 1111342501 AGYYGNLEVAZBBV-XHDPSFHLSA-N 314.349 -0.045 30 20 DBED C[C@@H]1CN(c2ncccc2C#N)CC[C@@H]1NC(=O)CNC(N)=O 1112393308 QUODZLSCAZUDLA-PWSUYJOCSA-N 316.365 -0.047 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(c2cc(F)ncn2)C[C@@H]1O 1112701443 GVNNDSSLZHWRKV-QWRGUYRKSA-N 310.329 -0.268 30 20 DBED CN(C)CCC(=O)NC[C@H]1CN(c2ncccc2C#N)C[C@H]1O 1112754779 GTPOVHNFRLMISL-UONOGXRCSA-N 317.393 -0.182 30 20 DBED Cc1cc(C#N)nc(N[C@H](C)[C@@H](C)NC(=O)CNC(N)=O)n1 1112893797 BBNJBZAVLCQLCT-RKDXNWHRSA-N 305.342 -0.370 30 20 DBED C[C@H](NC(=O)Cn1ncnn1)[C@H](C)Nc1cnc(C#N)cn1 1113193965 NKXCUXKAFBDZCD-IUCAKERBSA-N 301.314 -0.660 30 20 DBED C[C@H]1COCC[C@H]1C(=O)N1CCN(CC(=O)NCC#N)CC1 1113315942 ZGLHFOUJVNKXBX-QWHCGFSZSA-N 308.382 -0.557 30 20 DBED Cc1cc(N(C)[C@H](C)CNC(=O)[C@@H]2CNC(=O)N2)c(C#N)cn1 1113869719 RIHGQRWHATWQKA-PWSUYJOCSA-N 316.365 -0.116 30 20 DBED CC(C)COCCC(=O)NC1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]12 1113931336 BBPONEHBSKJGPG-CHWSQXEVSA-N 322.409 -0.265 30 20 DBED C#CCCCC(=O)NC1[C@H]2CN(CCN3C(=O)CCC3=O)C[C@H]12 1114202018 YUMJOYPDHUJBGJ-STQMWFEESA-N 317.389 -0.015 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)c3cnnn3C)[C@H]2C1 1114203870 KXUSHHYFQKZJSM-MEWQQHAOSA-N 318.381 -0.834 30 20 DBED Cc1ncc(CC(=O)NC2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]23)o1 1114400765 JVKSTJSLEKMEQW-VXGBXAGGSA-N 317.349 -0.788 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@H](CC)N(C)C)[C@H]2C1 1114846111 GYGGKULPTMPGOW-SFDCQRBFSA-N 308.426 -0.325 30 20 DBED C=CCCN1C[C@H]2[C@H](NC(=O)[C@H](C)NS(C)(=O)=O)[C@H]2C1 1114888659 LLOLZMPHRLIKGD-NNYUYHANSA-N 301.412 -0.453 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)Cc3[nH]cnc3C)[C@H]2C1 1115169128 AZHSOKRSSUGZNW-ATCWAGBWSA-N 315.377 -0.944 30 20 DBED CC[C@H](C)C(=O)NCC(=O)N[C@H]1[C@@H]2CN(CC#CCOC)C[C@@H]21 1115255123 XAVUUWODFQOQEM-TTZDDIAXSA-N 321.421 -0.155 30 20 DBED CN(CCOCCNC(=O)c1cnn[nH]1)c1ccnc(C#N)n1 1115268949 OUNMWHXJPMQSER-UHFFFAOYSA-N 316.325 -0.651 30 20 DBED C[C@@H](CN(C)C(=O)C1=COCCO1)N=c1cc[nH]c(C#N)n1 1115636512 RVNNLWRSFPJPRL-JTQLQIEISA-N 303.322 -0.083 30 20 DBED C#CCCN1CCN(Cc2nc(CS(C)(=O)=O)no2)CC1 1116404679 MHKZFIPKYSFCBM-UHFFFAOYSA-N 312.395 -0.245 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CCN(c2ncccn2)CC1 1117580728 GCCBOMKDXHOLNZ-GFCCVEGCSA-N 319.365 -0.558 30 20 DBED C=C(C)CN(CC)c1nnnn1CC1CN(S(C)(=O)=O)C1 1120180234 BMAWCGIAQKTXTC-UHFFFAOYSA-N 314.415 -0.033 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)c2cc[n+]([O-])cc2)nn1 1121009958 HHOIDBVSZAABMF-LBPRGKRZSA-N 314.305 -0.816 30 20 DBED Cc1c[nH]nc1C(=O)NC[C@H](CO)Nc1nccnc1C#N 1121529321 XSWAMYHQQYNXLK-SECBINFHSA-N 301.310 -0.417 30 20 DBED N#Cc1nc(=N[C@H](CO)CNC(=O)c2ncccc2F)cc[nH]1 1121893326 MXHMPIDANDZYTA-VIFPVBQESA-N 316.296 -0.493 30 20 DBED CNC(=O)NCC(=O)N1C[C@@H](Nc2cnc(C#N)cn2)C[C@H]1C 1123322438 ZEHLPEGMUFNCGC-ZJUUUORDSA-N 317.353 -0.321 30 20 DBED CN(C[C@H](O)CNc1ccc(C#N)cn1)C(=O)[C@H]1C[C@H]1C(N)=O 1124770514 YOCZELSPSFGHTB-UTUOFQBUSA-N 317.349 -0.694 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)[C@H](C)n2cncn2)C1=O 1125918181 LNBLQZJGXIBRNU-NWDGAFQWSA-N 306.370 -0.668 30 20 DBED Cc1cc(C#N)nc(NC2CC(N(C)C(=O)CNC(N)=O)C2)n1 1126847687 UQEIWMPXFVZTHA-UHFFFAOYSA-N 317.353 -0.274 30 20 DBED C#CCO[C@@H](C)C(=O)NCCNCc1cn(CC2CC2)nn1 1127045856 IUXDMGVEKBBSGQ-LBPRGKRZSA-N 305.382 -0.068 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(C[C@@H](C)O)C[C@@H]1n1ccnn1 1128939440 QVUKCERZZQZQOD-MCIONIFRSA-N 305.382 -0.196 30 20 DBED C#CCCN1CCOC[C@@H]1c1n[nH]c(CNC(=O)CCOC)n1 1130826459 ZQLQRKOMEOGSID-GFCCVEGCSA-N 321.381 -0.146 30 20 DBED C#CCOCCC(=O)N[C@H]1CC[C@@H](C)N(Cc2nnnn2C)C1 1132042088 PQKGDUMDBXWQCQ-OLZOCXBDSA-N 320.397 -0.281 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)Cc2cnoc2)CC[C@@H]1C 1132235317 LKZRSYUOWMGDFO-JSGCOSHPSA-N 318.377 -0.064 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)CC[C@H]1C 1133173402 DVXVCLSGISPQEK-CHWSQXEVSA-N 320.393 -0.364 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)c1nc(C)oc1C 1135672391 SZTADJBAUJJXFY-UHFFFAOYSA-N 323.353 -0.377 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC2(CN(C(=O)[C@H](C)C#N)C2)C1 1147256461 UUMNTEAZINEVBS-CHWSQXEVSA-N 302.378 -0.182 30 20 DBED C#CCNC(=O)CC(=O)N1CC2(CCN(CCCOC)C2)C1 1147368524 FNURKGCMUKTJRL-UHFFFAOYSA-N 307.394 -0.303 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(Cc2cnn(C)n2)CCCO1 1149383452 GFTVVDXBJPSVSL-CQSZACIVSA-N 323.397 -0.275 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)COCCOC 1155881533 RBBMLUKDBVGPRF-LBPRGKRZSA-N 301.387 -0.564 30 20 DBED C#CCNC(=O)CC(=O)NCCCNCCOCC(F)(F)F 1156857595 WZDJWTKPOAVNNY-UHFFFAOYSA-N 323.315 -0.199 30 20 DBED C#CCNC(=O)CC(=O)NCCCNCCCN1CCCC1=O 1156857603 XGPNKUFJSIAANY-UHFFFAOYSA-N 322.409 -0.766 30 20 DBED C=CCOCCN(CC)[C@H](C)CNC(=O)CS(=O)(=O)NC 1156966611 AJHGTGYJPBLQOE-GFCCVEGCSA-N 321.443 -0.435 30 20 DBED C#CCNC(=O)CNCCCNC(=O)Cc1ccncc1C 1158112008 YINLNHZSCIHWGK-UHFFFAOYSA-N 302.378 -0.222 30 20 DBED C#CCNC(=O)CNCCCNC(=O)Cn1cc(C2CC2)nn1 1159831045 IKCSDQOPROKKMH-UHFFFAOYSA-N 318.381 -0.999 30 20 DBED COCC1(CNC(=O)c2c[nH]c(=O)cn2)CCN(CC#N)CC1 1162435038 WPLDYJDQZNVTGJ-UHFFFAOYSA-N 319.365 -0.248 30 20 DBED C#CCN1CCC(CNC(=O)[C@H]2CNC(=O)N2)(COC)CC1 1162440810 AUEAVVOGFZKTPW-GFCCVEGCSA-N 308.382 -0.854 30 20 DBED CC#CCNCCCNC(=O)Cn1ncn2nccc2c1=O 1167542454 VNSNPBBJYCNHML-UHFFFAOYSA-N 302.338 -0.990 30 20 DBED C=CCCn1cc(C(=O)NCCCN[C@H]2CCN(C)C2=O)nn1 1167999457 YIZJVWLNWQICNK-LBPRGKRZSA-N 320.397 -0.206 30 20 DBED C=CCNC(=O)CNCCCNC(=O)C1(NC(C)=O)CCCC1 1168197274 HPXWIGICIKLPRA-UHFFFAOYSA-N 324.425 -0.167 30 20 DBED C=CCO[C@H](C)C(=O)NCCCNCC(=O)N1CCOCC1 1177269108 DYLREFAQWCVXMK-CYBMUJFWSA-N 313.398 -0.468 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H]2CCN(C(=O)COCC=C)[C@@H]2C1 1187279890 FOJPKXCZGKZMSB-SOUVJXGZSA-N 319.405 -0.140 30 20 DBED CN(C)CCCC(=O)N1CC[C@H]2CN(CC(=O)NCC#N)C[C@H]21 1188956978 QZRORVOMTZTAHQ-UONOGXRCSA-N 321.425 -0.499 30 20 DBED C=CCOCC(=O)N1CC[C@H](N(C)CCN2C(=O)CCC2=O)C1 1189370600 KUBZNCQXNFYWEP-ZDUSSCGKSA-N 323.393 -0.129 30 20 DBED C=CCOCC(=O)N1CC[C@H](N(C)CC(=O)NC(=O)NC)C1 1189380949 TWRRMOGYQYQYHP-NSHDSACASA-N 312.370 -0.823 30 20 DBED COCC#CCN(C)[C@@H]1CCN(C(=O)[C@@H]2COCCN2C)C1 1189704718 DQUFEQDZSKYNFI-CABCVRRESA-N 309.410 -0.501 30 20 DBED C=CCOCC(=O)N[C@@H]1CN([C@@H](CCCC)C(N)=O)C[C@H]1O 1191777798 PLWQRFRPHRJJAY-FRRDWIJNSA-N 313.398 -0.606 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@H]1CCN(C(=O)Cc2cnoc2)C1 1191929764 ARCITTXAQCLIMI-JSGCOSHPSA-N 318.377 -0.112 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C2C=CC=CC=C2)C1 1193345894 ZAPHYLAGTPZMCW-HUUCEWRRSA-N 315.373 -0.805 30 20 DBED C=C(C)C(C)(C)C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[nH]2)C[C@H]1O 1195254844 IUYWRZFFDURYCU-GHMZBOCLSA-N 323.397 -0.628 30 20 DBED C=C/C(C)=C/CC(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1O 1195401548 YMGGRARYJDADKJ-UDLQBDOPSA-N 306.366 -0.690 30 20 DBED C#CCNC(=O)[C@H](C)N1CCCN(C(=O)c2cn(C)cn2)CC1 1195486967 AOVYTTTZRXRUND-ZDUSSCGKSA-N 317.393 -0.294 30 20 DBED C=CCCCC(=O)N[C@@H]1CN(CCS(C)(=O)=O)C[C@H]1O 1195733085 YOJKQWOWHJLRJC-VXGBXAGGSA-N 304.412 -0.451 30 20 DBED C=CCNC[C@H]1CN(C(=O)[C@H]2CCS(=O)(=O)C2)CCCO1 1200911561 NGXCYSWGJCJMPB-STQMWFEESA-N 316.423 -0.186 30 20 DBED CC[C@@H]1C[C@H]1C(=O)N1CCCO[C@H](CNCC(=O)NCC#N)C1 1201448888 XISIUODYMPRAPO-MGPQQGTHSA-N 322.409 -0.121 30 20 DBED CC#CCNC[C@H]1CN(C(=O)C2CC(=O)NC(=O)C2)CCCO1 1201630344 WQOCZHDXKQTJSO-ZDUSSCGKSA-N 321.377 -0.730 30 20 DBED CC#CCCCC(=O)N1CCC(NCC(=O)NC(N)=O)CC1 1202076234 UYLOYELUDHETDC-UHFFFAOYSA-N 308.382 -0.045 30 20 DBED C#CCN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)CCNC(=O)COC)C2 1204417106 BAHGXNGOJUQDNP-MGPQQGTHSA-N 307.394 -0.259 30 20 DBED C=CCOCCN[C@@H]1CCCN(C(=O)Cn2cnnc2O)C1 1207860031 FNKBDMQBIPBMQG-GFCCVEGCSA-N 309.370 -0.233 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)CCCC(=O)NC)C1 1207877557 LCKIUAXEIKJTQU-CYBMUJFWSA-N 322.409 -0.767 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)Cc2cnc(C)o2)C1 1208329503 XEOGABLMTBFRNL-CYBMUJFWSA-N 318.377 -0.144 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)[C@H]2CCCC(=O)N2)C1 1208387191 OUCDXWILIAQYGT-QWHCGFSZSA-N 322.409 -0.462 30 20 DBED N#CCNC(=O)CN[C@H]1CCCN(C(=O)COCC(F)F)C1 1208703898 GAQHLAWRIUNHSP-JTQLQIEISA-N 318.324 -0.512 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)CCc2cn[nH]c2)[C@H](C)C1 1209318476 OHJCXQXLUUOYFE-TZMCWYRMSA-N 317.393 -0.472 30 20 DBED COCC#CCN1C[C@@H](NC(=O)c2cnc(O)n2C)[C@H](OC)C1 1213256921 PDAWBNYZFPESSO-DGCLKSJQSA-N 322.365 -0.796 30 20 DBED C=CCOCC(=O)N1CCO[C@@H]2CN([C@H]3CCN(C)C3=O)C[C@@H]21 1217538301 RDHFDIACSKNVHF-MELADBBJSA-N 323.393 -0.669 30 20 DBED C=CCCC(=O)N[C@@H]1CN(CC(=O)N(CC)CCC#N)C[C@@H]1O 1219332618 CAEQNHDBOSHBQF-KGLIPLIRSA-N 322.409 -0.124 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CN(Cc2nnnn2C(C)(C)C)C[C@@H]1O 1219378957 JTTPHPYDDVXWKV-MXWKQRLJSA-N 321.385 -0.751 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)c2ccc(C)nn2)C1 1219585485 KKRUEQMVSRFKGA-KGLIPLIRSA-N 306.366 -0.237 30 20 DBED COCCCn1cc(C(=O)N[C@@H]2CN(CC#N)C[C@@H]2O)cn1 1220708343 RKQTZHVPUGFSES-OLZOCXBDSA-N 307.354 -0.782 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)[C@@]23CCCN(CC2)C3)C1 1220860569 WCOSEOWARWFUCT-VYDXJSESSA-N 323.437 -0.164 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN([C@@H](C)c2nncn2C)C[C@@H]1O 1221139606 GEFFYBCPBHBPIS-XQQFMLRXSA-N 323.397 -0.370 30 20 DBED C=C[C@](C)(O)CC(=O)N1C[C@H]2CCN(CC(=O)NC(N)=O)C[C@H]21 1221518063 RXGLNDWIUHEBHP-HFAKWTLXSA-N 324.381 -0.959 30 20 DBED CSCC(=O)N1CC[C@H]2CCN(CC(=O)NCC#N)[C@H]2C1 1222214888 SZQHATHYBNIBES-NEPJUHHUSA-N 310.423 -0.088 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1CCN(CC(=O)NCC)CC1 1223182467 FEMPNYCDTBDHMU-ZDUSSCGKSA-N 309.410 -0.011 30 20 DBED C=C[C@@](C)(O)CC(=O)NC1CCN(CC(=O)NCC#N)CC1 1227113576 FCAHPIDXIUOXMC-OAHLLOKOSA-N 308.382 -0.466 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)C2CCN(C)CC2)CC1 1228962435 CWAZBROKZJNERU-UHFFFAOYSA-N 320.437 -0.342 30 20 DBED CCn1cnc(C(=O)NC2CCN(CC(=O)NCC#N)CC2)c1 1230048830 VPDQEBMXJOZBEQ-UHFFFAOYSA-N 318.381 -0.263 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@H]1CN(C)C(=O)c1cnsn1 1230856591 XRESMUWEYDZEJM-MNOVXSKESA-N 321.406 -0.178 30 20 DBED Cc1nn(C)cc1C(=O)N(C)C[C@H]1CCN1CC(=O)NCC#N 1231263790 PSCWQYJCTIHCJH-GFCCVEGCSA-N 318.381 -0.485 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)C[C@@](C)(O)C1CC1 1233778934 BIUCUMPXPZWQSU-RHSMWYFYSA-N 321.421 -0.180 30 20 DBED C[C@](C#N)(NC(=O)CN1CCC2(CC1)NC(=O)NC2=O)C1CC1 1253743391 DNEOUMSLGTUUMI-CQSZACIVSA-N 319.365 -0.531 30 20 DBED C#CCCCNC(=O)C(=O)N1CCC(S(=O)(=O)CC)CC1 1259926658 XBKXSOGJEAKOPW-UHFFFAOYSA-N 314.407 -0.058 30 20 DBED C[C@@H](CNC(=O)C(=O)NCC(C)(C)CC#N)S(C)(=O)=O 1261733872 IXYVQYUTRXDODQ-VIFPVBQESA-N 303.384 -0.408 30 20 DBED C=CCC1(O)CCN(c2nnc(C3=NNC(=O)C3)n2C)CC1 1262884424 OPMUJQMONNRJML-UHFFFAOYSA-N 304.354 -0.054 30 20 DBED C=CCn1cc(C(=O)O[C@H]2C(=O)NCC23CCOCC3)nn1 1263477868 IHYFCYRIJQENBX-NSHDSACASA-N 306.322 -0.084 30 20 DBED CN(C)[C@@H](CNC(=O)C(=O)N1CCO[C@@H](C#N)C1)c1ccco1 1322874264 ZIWUJZOZNXHTKS-RYUDHWBXSA-N 320.349 -0.251 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)NCC1(CC#N)CC1 1323998233 VWEKTXRFNQVQMS-UHFFFAOYSA-N 313.379 -0.487 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N(C)CCCN(C)C)nn1 1328107318 MKDTWRZTJCTUSI-UHFFFAOYSA-N 308.386 -0.510 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)NCC[C@@H]2C[C@H]3CC[C@H]2O3)C1 1328317078 OWBXMFOCSHPICX-JXFSHQFZSA-N 321.377 -0.063 30 20 DBED CC(C)NC(=O)CCNC(=O)CCN/C(O)=C1\N=CC=CC1=O 1328351228 PXUROXPFAIPYRP-CCEZHUSRSA-N 322.365 -0.066 30 20 DBED N#C[C@H]1CCCN(C(=O)C(=O)N2CCC3(CC2)CNC(=O)C3)C1 1336419218 OLBHTOMYEROMOV-GFCCVEGCSA-N 318.377 -0.123 30 20 DBED C#CCOCCNC(=O)C(=O)N[C@@H](C)CN1CCC[C@H](C)C1 1342425428 FVSDBJBXZXLPSF-KBPBESRZSA-N 309.410 -0.011 30 20 DBED CC[C@@H]1CN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)C[C@@H](C)O1 1345965451 IIIYXFWXFHBXMJ-LALPHHSUSA-N 309.366 -0.111 30 20 DBED C#Cc1cccc(CNC(=O)C(=O)N2C[C@H](O)C[C@@H]2COC)c1 1346397809 VKYVZMIJUBHFLU-HUUCEWRRSA-N 316.357 -0.108 30 20 DBED C=C[C@@H]1CCCCN1C(=O)C(=O)NCCCS(=O)(=O)NC 1349507452 CUDYPHIXRMZGKY-LLVKDONJSA-N 317.411 -0.391 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N[C@](C)(CO)C(=O)OC 1363937048 MCVZSELBHVIJSK-MWLCHTKSSA-N 307.372 -0.774 30 20 DBED CNC(=O)NCCC(=O)NC1CCN(C(=O)[C@H](C)C#N)CC1 1372138070 GKDGHOLODZCQDG-SNVBAGLBSA-N 309.370 -0.428 30 20 DBED C=C(Cl)CN1CC[C@H](NC(=O)CCn2ncn(C)c2=O)C1 1373599006 CRXMUHGKEWHSJJ-NSHDSACASA-N 313.789 -0.085 30 20 DBED CC(C)c1nnnn1CC(=O)NC[C@@H]1CCN1C(=O)[C@@H](C)C#N 1378381959 ZQZNLRSWPPECFG-QWRGUYRKSA-N 319.369 -0.327 30 20 DBED C[C@@H](CNC(=O)[C@H](C)C#N)NC(=O)CNC(=O)N1CCCC1 1389359401 YJABWOYURPJZPL-MNOVXSKESA-N 309.370 -0.428 30 20 DBED CCN(C(=O)c1c[nH]c(C#N)c1)[C@H](C)CNC(=O)CNC(C)=O 1396290386 YKYCRTDNKRUTMN-SNVBAGLBSA-N 319.365 -0.011 30 20 DBED C=C(Br)CNC[C@H](O)CNC(=O)c1[nH]nnc1C 1406250065 FCXBORSDENOCMA-QMMMGPOBSA-N 318.175 -0.298 30 20 DBED Cc1nccc(CNC(=O)Cn2cc(C#N)c(O)nc2=O)n1 1411672351 WXLWOHWIAIFFCF-UHFFFAOYSA-N 300.278 -0.765 30 20 DBED CC(=O)N[C@@H](C)C(=O)N[C@H]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 1428167091 YYJUYCPBEKQTSO-UWJYBYFXSA-N 317.349 -0.212 30 20 DBED CN(CCNC(=O)c1cnnn1C)C(=O)c1c[nH]c(C#N)c1 1429236910 QLGIAUYAYSZMPO-UHFFFAOYSA-N 301.310 -0.483 30 20 DBED CN1CCN(S(=O)(=O)NCC2(C#N)CCOCC2)CC1 1434658731 PSUBLRMQNDXROU-UHFFFAOYSA-N 302.400 -0.611 30 20 DBED CCOCC(=O)N1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@H](OC)C1 1452717092 QENCVBVWGUXHKA-CHWSQXEVSA-N 320.349 -0.122 30 20 DBED CN1CCC[C@H]1C(=O)NC[C@@H](O)CNC(=O)c1c[nH]c(C#N)c1 1501463021 KFGPYKHGHFSCLB-STQMWFEESA-N 319.365 -0.813 30 20 DBED C[C@@H](C#N)C(=O)NC1CCN(C(=O)CN2CCCNC2=O)CC1 1523232864 SJNWMFFVAIRPJC-NSHDSACASA-N 321.381 -0.331 30 20 DBED COCC#CCN1CCC[C@H](NC(=O)c2c[nH]c(=O)cn2)C1 1567777678 JCTMSYRZJYXMOF-LBPRGKRZSA-N 304.350 -0.386 30 20 DBED C#CC[C@@]1(C(=O)NCc2nnc3c(=O)n(C)ccn23)CCCN1 1574515980 CEGVAQIZGHUXRB-HNNXBMFYSA-N 314.349 -0.810 30 20 DBED C#CCOCCNC(=O)N1CCC[C@H](n2cc(CN)nn2)C1 1574735645 LRHBXVSDPJIXMX-ZDUSSCGKSA-N 306.370 -0.267 30 20 DBED C[C@H](Nc1cnc(C#N)c(-c2nn[nH]n2)n1)[C@H]1CN(C)CCO1 1575445351 QLQRPSGYPRYZFU-WCBMZHEXSA-N 315.341 -0.341 30 20 DBED C#CC1CCN(C(=O)NCCn2cnc(-c3nn[nH]n3)n2)CC1 1588330952 MIVGLIJVICHVNG-UHFFFAOYSA-N 315.341 -0.487 30 20 DBED C#CC[C@H](CO)NC(=O)NCc1nc(-c2nn[nH]n2)cs1 1588331657 QQKJWDPYUPRAPG-SSDOTTSWSA-N 307.339 -0.493 30 20 DBED C#CC[C@H](CCOC)NC(=O)CN1CCC[C@@H](C(=O)O)C1=O 1588393097 BGBRBUWZOAFSCD-VXGBXAGGSA-N 310.350 -0.146 30 20 DBED CCC(=O)N[C@H](C)C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[nH]1 1590363787 WWNDDJTVUKJJLJ-RXMQYKEDSA-N 303.286 -0.685 30 20 DBED N#CCNC[C@H]1CCCN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1 1592678686 JPOOHAGVJJOLCJ-SNVBAGLBSA-N 300.326 -0.087 30 20 DBED Cn1cc(C#N)c(NC(=O)NC2CCN(CC(=O)O)CC2)n1 1594525676 KIJPSGJGTITHES-UHFFFAOYSA-N 306.326 -0.038 30 20 DBED CN(CCNC(=O)CCN/C(O)=C1\N=CC=CC1=O)CC(=O)O 1598491369 XMZRQYCTZWEBLR-BUHFOSPRSA-N 324.337 -0.965 30 20 DBED N#CC1(CC(=O)N2CCS(=O)(=O)C[C@H]2CC(=O)O)CC1 1601055265 VNARFSNWJBTJEV-SECBINFHSA-N 300.336 -0.219 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC[C@H](N=c2cc[nH]c(C(=O)O)n2)C1 1602809307 FGLQDIVEDJXOJD-ZUZCIYMTSA-N 320.349 -0.063 30 20 DBED N#C[C@H]1CN(S(=O)(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)O)C2)CCO1 1608180427 ZFMJGLFMRYNQCR-WDCWCFNPSA-N 315.351 -0.702 30 20 DBED N#Cc1ccc([C@@H](O)C(=O)N2CCNC(=O)[C@H]2CC(=O)O)cc1 1608202966 ZEHROVDUMWATHP-DGCLKSJQSA-N 317.301 -0.607 30 20 DBED C#CCSCCNC(=O)[C@H](C)n1cnc(-c2nn[nH]n2)n1 1609021620 MZRPYQSIEVTJQE-QMMMGPOBSA-N 306.355 -0.498 30 20 DBED N#CCNC(=O)CN1CCC[C@@H](NC(=O)c2csc(O)n2)C1 1660837861 HRODWMLNWWNONM-SECBINFHSA-N 323.378 -0.317 30 20 DBED CC[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](NCC(=O)NCC#N)C1 1662520141 AIVZBUJWICICHM-XQQFMLRXSA-N 308.382 -0.368 30 20 DBED CC[C@H](C(=O)N[C@H]1CC[C@H](NCC(=O)NCC#N)CC1)N(C)C 1666318968 SRAOHNLMHZQUDO-MGPQQGTHSA-N 323.441 -0.017 30 20 DBED C#CCNC(=O)CN(C)CCCNC(=O)Cc1cccnc1 1751958285 JGFIKBMGUVNSQL-UHFFFAOYSA-N 302.378 -0.188 30 20 DBED CN(CC#N)C[C@@H]1CCCN(C(=O)CCn2ncn(C)c2=O)C1 1752513662 LEHSXEFNKQOPOT-ZDUSSCGKSA-N 320.397 -0.334 30 20 DBED C#CCOCCC(=O)NC1CCC(NCc2nnn(C)n2)CC1 1752848314 MSPAXRJZLBPRKN-UHFFFAOYSA-N 320.397 -0.233 30 20 DBED C=CCCN1CC[C@@H](CNC(=O)CNS(=O)(=O)N(C)C)C1 1753135097 JKAXCVMLVVFYOZ-LBPRGKRZSA-N 318.443 -0.603 30 20 DBED C=CCNC(=O)[C@@H](C)N(C)C[C@@H]1CCN(C(=O)CNC(C)=O)C1 1753346763 LRWDRPHOANQDPZ-OCCSQVGLSA-N 324.425 -0.407 30 20 DBED C=CCNC(=O)[C@H](C)N1CC(NC(=O)c2c(C)ncnc2O)C1 1753384967 DZRNBGROVRKRQY-JTQLQIEISA-N 319.365 -0.405 30 20 DBED C=CCNC(=O)NC(=O)CN1CC(CNC(=O)c2cnco2)C1 1753407807 XHIKMBHWROGLQN-UHFFFAOYSA-N 321.337 -0.652 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CC[C@H](NCCN2C(=O)CNC2=O)CC1 1753579162 LUKCPBSSUCEDHN-IJLUTSLNSA-N 321.381 -0.285 30 20 DBED C#CCN(C)CCN(C)C(=O)CN1CCCCS1(=O)=O 1753858327 XBDWUARVUNPKIV-UHFFFAOYSA-N 301.412 -0.565 30 20 DBED C#CCNC(=O)CNCC[C@H](C)NC(=O)C[C@@H]1CCCC(=O)N1 1753980314 FIAUCBORDYBKGE-STQMWFEESA-N 322.409 -0.721 30 20 DBED C=CCNC(=O)[C@H](C)NCCN(CC)C(=O)c1cn(C)nn1 1754043360 MJUWZYXJVDIVIK-NSHDSACASA-N 308.386 -0.443 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H](C)CNCc1nncn1C 1754243249 FIKQPSGKVYBTPX-DGCLKSJQSA-N 322.413 -0.120 30 20 DBED C#CCNC(=O)[C@H](C)N(C)C[C@@H](C)NC(=O)CCn1cncn1 1754302197 CJXFOSFKOUZKHN-OLZOCXBDSA-N 320.397 -0.757 30 20 DBED C#CCCNC[C@H]1CCCC[C@@H]1NC(=O)CN1CCNC(=O)C1 1754345287 IYYQBDOXCHIABP-CABCVRRESA-N 320.437 -0.294 30 20 DBED C#CCNC(=O)CN1C[C@H]2CN(C(=O)[C@H]3CO[C@H](C)C3)C[C@H]2C1 1754845486 HKEOAKBPMOOUKB-TUVASFSCSA-N 319.405 -0.449 30 20 DBED CC(C)C#CC(=O)N[C@H]1COC2(C1)CN(Cc1nnnn1C)C2 1755061015 DKCXXZUZFWWAQW-GFCCVEGCSA-N 318.381 -0.671 30 20 DBED C[C@@H](CN(C)C(=O)C(C)(C)N1CCCC1)NCC(=O)NCC#N 1755598826 AIPDKJPMTPBGSP-ZDUSSCGKSA-N 323.441 -0.063 30 20 DBED C[C@H](CN(C)C(=O)c1cn(C[C@H]2CCOC2)nn1)NCC#N 1755611268 NXPUXZYICGXUFC-VXGBXAGGSA-N 306.370 -0.112 30 20 DBED CCCN1CCC[C@@H]1C(=O)NC[C@H](CO)NCC#CCOC 1755630629 NQLLYAKFIDYUAK-HUUCEWRRSA-N 311.426 -0.423 30 20 DBED CC#CCN[C@H](CO)CNC(=O)c1cnc2c(c1)c(C)nn2C 1755634038 BVBAIWCNBMKBJQ-ZDUSSCGKSA-N 315.377 -0.020 30 20 DBED C#CCNC(=O)CN[C@H](CO)CNC(=O)[C@H]1CC12CCCC2 1755643351 JVIUKNHUCQQWKL-QWHCGFSZSA-N 307.394 -0.617 30 20 DBED Cc1cc(C(=O)N2C[C@H](NCC(=O)NCC#N)C[C@@H]2C)cnn1 1755676377 VBIRSVSOMRMQDC-WCQYABFASA-N 316.365 -0.383 30 20 DBED CNC(=O)C1(C(=O)N[C@H](C)[C@@H](C)NC(=O)C#CC2CC2)CC1 1755970421 NZEIDJPZBDKDPR-GHMZBOCLSA-N 305.378 -0.065 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](C)N(C)C(=O)c1cn(C)nn1 1756070671 MLWKYDTVDVROQM-LOWVWBTDSA-N 321.381 -0.017 30 20 DBED CCn1nccc1C(=O)NC[C@H](O)CN(C)C(=O)C#CC1CC1 1756662811 ORPXKPDUZWQXEB-ZDUSSCGKSA-N 318.377 -0.135 30 20 DBED C#CCOCCC(=O)N(CC)[C@H](C)CNC(=O)[C@@H]1CCNC1=O 1756859786 UEUUXLHOOKGTAN-CHWSQXEVSA-N 323.393 -0.484 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CN(C(=O)CCCC)C[C@H]2O)nn1 1756999135 KEOPVVWXIXJNEP-DGCLKSJQSA-N 321.381 -0.044 30 20 DBED C=C[C@](C)(O)CC(=O)N1C[C@H](O)[C@H](NC(=O)c2c[nH]nc2C)C1 1757198134 MHEWERQQKOTSMY-XUJVJEKNSA-N 322.365 -0.653 30 20 DBED C=CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CN1)CCO2 1783917054 DSSNCZVRZNXOCF-XEZPLFJOSA-N 323.393 -0.885 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(C)[nH]1 1793539268 ZOCGVPLDFOSTAM-GNXNZQSNSA-N 302.334 -0.445 30 20 DBED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)COC)CCO2 1834977647 RXDFBRJULPPNTO-MRXNPFEDSA-N 324.377 -0.497 30 20 DBED C[C@H](S)C(=O)N1CCCC12CN(C(=O)[C@H]1CCC(=O)N1)C2 1846367729 MPOUIPXSHMZWIC-VHSXEESVSA-N 311.407 -0.213 30 20 DBED N#Cc1ccc(CS(=O)(=O)N[C@@H](CC(N)=O)C(=O)O)cc1 21793927 YBFNFEVDPUXNSN-JTQLQIEISA-N 311.319 -0.694 30 20 DBED N#CCN(C1CC1)S(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1 65264801 WONOXOUYWNGNGE-UHFFFAOYSA-N 320.330 -0.107 30 20 DBED C/N=C(/NCc1nnc2n1CCC2)N1CCC[C@@H](CC(N)=O)C1 261740511 KPWQUUNGEBCNMM-NSHDSACASA-N 319.413 -0.113 30 20 DBED CC1=C(C(=O)N2CCN(CC#N)CC2)Cn2nnnc2N1C 281047632 XCOUOEZNNXBCIA-UHFFFAOYSA-N 302.342 -0.935 30 20 DBED C=CCSCCNC(=O)C(=O)N(C)CCN1CCOCC1 285536384 BNHTWFOZMUPOOL-UHFFFAOYSA-N 315.439 -0.188 30 20 DBED N#Cc1ncn(CCNC(=O)CNC(=O)C2CCCCC2)n1 286081041 DUBAWSCCNUHRNL-UHFFFAOYSA-N 304.354 -0.038 30 20 DBED C=CCCOCCNC(=O)C(=O)N[C@@H]1CCN(C(C)C)C1=O 286850601 AYZHBKUGFCBCOP-GFCCVEGCSA-N 311.382 -0.179 30 20 DBED N#Cc1ccccc1OC[C@H](O)CNCC(=O)N1CCOCC1 322342968 BQNJYYUEFSIOJD-CQSZACIVSA-N 319.361 -0.254 30 20 DBED CCN(CCC#N)S(=O)(=O)N[C@H](CO)c1cnn(C)c1 336934333 DRWXSTUTRIWDDX-LLVKDONJSA-N 301.372 -0.477 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N1CCCN([C@H](C)CO)CC1 337770909 OEHXZCYIAWQZSP-QWHCGFSZSA-N 318.443 -0.146 30 20 DBED COC(=O)CN(CC#N)CC(=O)N[C@H](C)C(=O)N1CCCCC1 348483000 HEYKIGXMZOKWLA-GFCCVEGCSA-N 324.381 -0.498 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)N2CCn3ncnc3C2)cc1 354496638 ILTZGJAUYFLPCB-UHFFFAOYSA-N 310.317 -0.078 30 20 DBED CN(C[C@@H](O)C(F)(F)F)C(=O)NCCn1cnc(C#N)n1 357854113 BTIKDFXMWQNHCC-SSDOTTSWSA-N 306.248 -0.286 30 20 DBED CO[C@@](C)(CNS(=O)(=O)N1CCO[C@@H](C#N)C1)C1CC1 360255279 ZDPYABYZKYIRKX-RYUDHWBXSA-N 303.384 -0.140 30 20 DBED CN(CCC#N)S(=O)(=O)NCCCNC(=O)C1CCC1 362109033 LAWVCWMEDMPQCV-UHFFFAOYSA-N 302.400 -0.027 30 20 DBED N#CC1(NC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)CCC1 369013483 LJWNYRUQXBHUIX-ZDUSSCGKSA-N 320.393 -0.270 30 20 DBED N#CCSCC(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 369343959 FQKVTXLHHSMZLR-CYBMUJFWSA-N 312.439 -0.234 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)OC 416508776 CAGCZLKAQSGYJJ-DCAQKATOSA-N 319.383 -0.679 30 20 DBED COC(=O)[C@@H]1CNC(=O)CN1Cc1c(C#N)cccc1[N+](=O)[O-] 459446013 SNMSMDBEVUFZEG-LBPRGKRZSA-N 318.289 -0.060 30 20 DBED CNS(=O)(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 487372594 ZJZUIXFDUXKMIW-UHFFFAOYSA-N 303.365 -0.213 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)C[C@H](C)n2cccn2)CC1 491783923 KGGFQTFOSBZIED-AWEZNQCLSA-N 317.393 -0.272 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2C[C@H](OC)C2(C)C)C1=O 531475742 JDCIVKMBEVDJRN-ZJUUUORDSA-N 323.349 -0.107 30 20 DBED CCN1CCC[C@@H]1CN1C[C@H](C(=O)NCC#CCO)CC1=O 577160205 LGDHYCKDUFTNRB-ZIAGYGMSSA-N 307.394 -0.569 30 20 DBED C[C@H](N)CNC(=O)C(=O)N1CCN(c2ccccc2C#N)CC1 591418541 GUISOWAHHJOOJM-LBPRGKRZSA-N 315.377 -0.330 30 20 DBED COCCN(CCC#N)S(=O)(=O)NCCN1CCCC1=O 593641869 UYGQUJQFPGLXIU-UHFFFAOYSA-N 318.399 -0.695 30 20 DBED COC(=O)[C@@](C)(CO)NC[C@H](O)COc1ccc(C#N)cc1 595529502 JJBJZGFMYYRAMP-SWLSCSKDSA-N 308.334 -0.188 30 20 DBED N#Cc1ccccc1OC[C@H](O)CNC[C@@H](O)Cn1ccnn1 600745044 CSTVAOOBAUODAE-ZIAGYGMSSA-N 317.349 -0.460 30 20 DBED CCN1CCN(C(=O)[C@@H](C)n2cc(CNCC#N)nn2)CC1 603184382 UIJOGVBWHMFRIZ-GFCCVEGCSA-N 305.386 -0.384 30 20 DBED C=CCN(C(=O)Cn1cc(S(N)(=O)=O)cn1)[C@H](C)COC 617578423 JFGAMDWWMLJQMS-SNVBAGLBSA-N 316.383 -0.420 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)NCC(C)(C)S(C)(=O)=O 619750522 GRDTVXWSUYOJHY-SECBINFHSA-N 311.429 -0.122 30 20 DBED C#CCCCNC(=O)NCCN1CCN(S(C)(=O)=O)CC1 743692091 OPQAIDOZWMUDEE-UHFFFAOYSA-N 316.427 -0.724 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)Cn1nnnc1C(C)C 747028003 KLUCIXGTPJKGCM-SECBINFHSA-N 324.341 -0.260 30 20 DBED C#CCNC(=O)CN1CCCN(S(=O)(=O)CC(C)C)CC1 747276434 BYWWYOJCFQMKRE-UHFFFAOYSA-N 315.439 -0.271 30 20 DBED C#CCCCC(=O)OCC(=O)c1c(N)n(C)c(=O)n(C)c1=O 759174497 ZERRZNXFPMDMSA-UHFFFAOYSA-N 307.306 -0.804 30 20 DBED C#C[C@H](CC)OC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 768041421 OMGSFLKSAYIWAF-SECBINFHSA-N 304.306 -0.611 30 20 DBED Cn1cc(S(=O)(=O)NN=Cc2ccccc2)c(=O)n(C)c1=O 771891353 NDXBGLFOGVHBDH-UHFFFAOYSA-N 322.346 -0.604 30 20 DBED C#CCOCCNC(=O)c1cc(S(N)(=O)=O)ccc1F 784765862 IUFYHMZUALFSRW-UHFFFAOYSA-N 300.311 -0.147 30 20 DBED N#CCOc1cccc(CC(=O)NC[C@H]2CC(C(N)=O)=NO2)c1 793896888 BGTNEMJQCJQBOA-GFCCVEGCSA-N 316.317 -0.122 30 20 DBED C#C[C@H](NC(=O)C(=O)NCCOC[C@H]1CCOC1)[C@@H]1CCCO1 804932134 CJBXSOSTWDPFRZ-IHRRRGAJSA-N 324.377 -0.547 30 20 DBED CC#CCS(=O)(=O)NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 810775032 WEAVVVVOMXKHME-UHFFFAOYSA-N 314.323 -0.004 30 20 DBED C#CCOCCC(=O)NS(=O)(=O)c1cnn2c1OCCC2 816206195 DJUGVQQMDNPYHR-UHFFFAOYSA-N 313.335 -0.490 30 20 DBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1COC(=O)C1 820074582 UBMZUROCFSYEPW-QMMMGPOBSA-N 323.330 -0.843 30 20 DBED C#CCNC(=O)c1ccc(N2C[C@@H](O)C[C@H](C(=O)OC)C2)nc1 826817218 SLYQAEIGACSKCV-STQMWFEESA-N 317.345 -0.195 30 20 DBED CS(=O)(=O)N1CCCC[C@@H]1C(=O)N[C@H]1CNC[C@H]1C#N 834495580 WLAJFQMLDNDKFM-OUAUKWLOSA-N 300.384 -0.972 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 844016080 RQUQHQWPTAXIJQ-IINYFYTJSA-N 303.322 -0.360 30 20 DBED C#CC[C@@H](CCOC)NC(=O)NCCS(=O)(=O)N(C)C 858474326 AMIRVUQXXABTQR-NSHDSACASA-N 305.400 -0.395 30 20 DBED C#CCOCCNC(=O)C[C@@H]1NC(=O)c2ccccc2NC1=O 867370171 QZMPLJLTTFXVJQ-ZDUSSCGKSA-N 315.329 -0.107 30 20 DBED C#CCSCC(=O)N(CCN(C)C)[C@H]1CCS(=O)(=O)C1 900967068 JERFFBXPYQVWNY-LBPRGKRZSA-N 318.464 -0.070 30 20 DBED CN(C(=O)COC(=O)CCNS(C)(=O)=O)C(C)(C)C#N 914650694 ZWYGJXZFKCQDMO-UHFFFAOYSA-N 305.356 -0.771 30 20 DBED C=C[C@@](C)(CC)C(=O)N1CC[C@H](NC(=O)Cn2ncnn2)C1 938000521 DKQFVKBDSOMWIB-FZMZJTMJSA-N 306.370 -0.008 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](N(C)C(=O)CN2CCOCC2)C1 939397473 OXOSQWGKLRNUIX-STQMWFEESA-N 308.382 -0.462 30 20 DBED CCN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CCN(C(=O)C(N)=O)C1 942745298 URNFKYAAODEPIZ-SNVBAGLBSA-N 303.322 -0.565 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H]1CNC(=O)[C@@H]1CCCN1C(N)=O 944253077 KOXJUSWZPMLGFU-UTUOFQBUSA-N 321.381 -0.204 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@H](CNC(=O)c2nccnc2N)C1 944522747 YPEOSELYPPFYRV-VHSXEESVSA-N 318.337 -0.824 30 20 DBED CO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1NC(=O)c1ncccn1 946245374 IJCRZGBCMRMMTR-HBNTYKKESA-N 303.322 -0.408 30 20 DBED N#CCN1CCC2(CC1)CN(C(=O)[C@@H]1CCNC1=O)CCO2 949154144 QHCRUIDWOPOFJD-GFCCVEGCSA-N 306.366 -0.661 30 20 DBED N#CCN1CCOC2(CCN(C(=O)C[C@@H]3CCC(=O)N3)CC2)C1 949490055 ZGNKQDUUYSKFMY-ZDUSSCGKSA-N 320.393 -0.128 30 20 DBED C=CCCn1cc(C(=O)N2CCN([C@@H](C)C(N)=O)CC2)nn1 951607311 NEEXKRDPSTVAFY-NSHDSACASA-N 306.370 -0.514 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H](NC(=O)c2nnc(O)nc2O)C1 951868297 RVTRIURZPZBRPG-YUMQZZPRSA-N 320.309 -0.837 30 20 DBED N#CCN1C[C@@H](O)[C@H](CNC(=O)c2n[nH]cc2C(F)(F)F)C1 958131665 YGDHTJFYCGMBEZ-VXNVDRBHSA-N 317.271 -0.025 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2ccc3nnc(C)n3c2)C1 958200647 SGINQBSTQWOZOU-UONOGXRCSA-N 313.361 -0.307 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2O)c1 962122446 PRAYUFPITPLFCG-KGLIPLIRSA-N 312.329 -0.399 30 20 DBED C=CCn1cc(C(=O)N2CCC[C@@H](NC(=O)C(N)=O)CC2)nn1 965147774 KVWZAAJTFLDXQN-SNVBAGLBSA-N 320.353 -0.940 30 20 DBED N#CCN[C@@H]1CCN(C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 969426375 YLWAJLBFZCGBHV-KFWWJZLASA-N 322.409 -0.420 30 20 DBED C=CCn1cccc1C(=O)NC[C@@H]1CCN(C(=O)C(N)=O)C1 983205434 DRIADKMEVOQTPN-NSHDSACASA-N 304.350 -0.262 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H]1CCN(C(=O)CC(N)=O)C1 987845227 CXADIDOZSNUXOV-XQQFMLRXSA-N 323.393 -0.240 30 20 DBED C[C@@H]1C[C@H](NCC(=O)N2CCOCC2)CN1C(=O)C#CC1CC1 988824614 IOAUSUQFQTYTJH-HIFRSBDPSA-N 319.405 -0.162 30 20 DBED CC(=O)N1CCC(C(=O)NC2CN(C(=O)[C@H](C)C#N)C2)CC1 991348083 MXKZIBOENBLHGD-SNVBAGLBSA-N 306.366 -0.268 30 20 DBED O=C(N[C@H]1CCN(C(=O)C#CC2CC2)C[C@H]1O)c1ncccn1 991718189 OHAZIODICDLGEF-QWHCGFSZSA-N 314.345 -0.418 30 20 DBED N#CCN1CC[C@@]2(NC(=O)CN3CC(=O)NC3=O)CCC[C@H]12 992339703 VDSWLDNKTISHQU-HZMBPMFUSA-N 305.338 -0.825 30 20 DBED N#CCN1CC[C@]2(NC(=O)CN3CC(=O)NC3=O)CCC[C@@H]12 992339707 VDSWLDNKTISHQU-QMTHXVAHSA-N 305.338 -0.825 30 20 DBED CC#CCN1CC[C@]2(NC(=O)CN3C(=O)CNC3=O)CCC[C@@H]12 992465676 DYOACZGPHDNMIZ-MLGOLLRUSA-N 318.377 -0.325 30 20 DBED C#Cc1ccccc1CC(=O)N1CC(NC(=O)c2cnn[nH]2)C1 995173258 LESWEEUUJLJDPY-UHFFFAOYSA-N 309.329 -0.031 30 20 DBED C=CCn1cc(C(=O)N2CC(NC(=O)[C@@H]3CCO[C@@H]3C)C2)nn1 998403508 IQISPVFQFPZJCE-ZYHUDNBSSA-N 319.365 -0.170 30 20 DBED C[C@]1(C(=O)NC2CN(C(=O)c3cc(C#N)c[nH]3)C2)CCNC1=O 999801635 YGGIQOYOHDXXGI-HNNXBMFYSA-N 315.333 -0.647 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC(CNC(=O)[C@H]3COCCO3)C2)c1 1000994013 CYZHJLKTHMWAGY-CYBMUJFWSA-N 318.333 -0.510 30 20 DBED C[C@@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1NC(=O)c1nnn(C)n1 1005143324 HWFYVLSMIROTTM-PWSUYJOCSA-N 316.365 -0.410 30 20 DBED C=C(Br)CN1CC[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 1015634081 KRQIDOKCZPYBRJ-IUCAKERBSA-N 317.187 -0.233 30 20 DBED C#CCN1CCC(C(=O)N[C@@H]2CCN([C@H](CC)C(N)=O)C2)CC1 1016335885 HAJCIDVXGGGNGA-HUUCEWRRSA-N 320.437 -0.214 30 20 DBED C#CCN1CCC(C(=O)N2CC[C@H](N[C@@H](C)C(N)=O)C2)CC1 1019814140 UJTMXRKMBXUSJF-JSGCOSHPSA-N 306.410 -0.604 30 20 DBED Cc1cc(C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2O)ncn1 1023422210 GFVPJAZXVRAYSP-ZIAGYGMSSA-N 314.345 -0.500 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)COC)C[C@H]1O 1023940150 ZAMJMZDVRISIAC-SFTQSGBHSA-N 312.366 -0.698 30 20 DBED C[C@@H](NC(=O)c1nnc(O)nc1O)[C@@H]1CCCN(CC#N)C1 1025473744 HFCCOHLKNQZDPM-RKDXNWHRSA-N 306.326 -0.363 30 20 DBED C=CCN1CC[C@@H](N2C[C@H]3[C@H](NC(=O)[C@@H]4CCOC4)[C@H]3C2)C1=O 1025701133 OYBRWEKVYHXVPG-QMIVOQANSA-N 319.405 -0.144 30 20 DBED C=CCCn1cc(C(=O)NC2CN([C@H](CC)C(N)=O)C2)nn1 1031080176 ZQWQWOBNYWUBIH-GFCCVEGCSA-N 306.370 -0.468 30 20 DBED CC(C)(C)n1cc(C(=O)NC[C@H]2CN(CC#N)CCO2)nn1 1035400370 XKMSEEFYYZLEOW-NSHDSACASA-N 306.370 -0.013 30 20 DBED C=CCCN1CCO[C@@H](CNC(=O)[C@@H]2CCS(=O)(=O)C2)C1 1035438771 MJYXOOFCCUFARG-OLZOCXBDSA-N 316.423 -0.186 30 20 DBED C=C(C)CN1CCO[C@H](CNC(=O)c2cn(C)c(=O)nc2O)C1 1035604246 JGSDUWZPKYYLQF-LLVKDONJSA-N 322.365 -0.507 30 20 DBED C=CCCn1cc(C(=O)NC[C@@H]2CCN2[C@H](C)C(N)=O)nn1 1038791362 XUUKCGLSAPDOCA-MNOVXSKESA-N 306.370 -0.468 30 20 DBED CC(C)C#CC(=O)NC[C@@]1(O)CCN(C(=O)c2cn(C)nn2)C1 1039664706 WBXRDZZMLNVOSI-HNNXBMFYSA-N 319.365 -0.832 30 20 DBED C=C(C)CCC(=O)NC[C@@]1(O)CCN(C(=O)Cc2nc[nH]n2)C1 1039987393 QKJUTIIHUJICMM-HNNXBMFYSA-N 321.381 -0.217 30 20 DBED C[C@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)C2CCOCC2)C1 1040762210 GWKUINDQDCFDHP-ABAIWWIYSA-N 309.366 -0.348 30 20 DBED Cc1nc(C(=O)N2CC[C@](O)(CNC(=O)[C@@H](C)C#N)C2)co1 1040764753 YOLNPACJQXLNPJ-XPTSAGLGSA-N 306.322 -0.164 30 20 DBED C[C@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)c2csc(O)n2)C1 1040769996 OWGYHXQENVJWJU-OQPBUACISA-N 324.362 -0.298 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)C(C)(C)F)C1 1041140015 SRJMKFVNXMGFEQ-SNVBAGLBSA-N 300.330 -0.538 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)c2c[nH]nc2C)C1 1042043706 REWKPLNIYFYPPE-UHFFFAOYSA-N 308.338 -0.776 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)c2cccc(O)n2)C1 1042351980 QRYICISZGLAQLQ-SECBINFHSA-N 304.306 -0.750 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(O)CN(C(=O)c2cncn2C)C1 1042811615 KNEAFSNCRUCRQP-AWEZNQCLSA-N 322.365 -0.950 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)CC2(O)CCC2)C1 1042949492 OSSOGMKAFRZOPZ-UHFFFAOYSA-N 324.377 -0.979 30 20 DBED C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1N=c1cc[nH]c(C#N)n1 1043521108 MKVUCSGHYAUWRE-CHWFTXMASA-N 314.349 -0.850 30 20 DBED C=CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)c2cocn2)C1 1043571736 RWDIFMWJIQWKOY-SNVBAGLBSA-N 309.322 -0.431 30 20 DBED CO[C@@H](C)C(=O)N1CCO[C@@H]2CN(c3cncc(C#N)n3)C[C@@H]21 1043670429 OTVJDCRNZMWFNT-WCFLWFBJSA-N 317.349 -0.201 30 20 DBED Cc1nsc(N2C[C@H](O)[C@H](NC(=O)c3nc[nH]n3)C2)c1C#N 1044109764 WGXJWEWKKGSVOP-BDAKNGLRSA-N 319.350 -0.579 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H](NCC(N)=O)C[C@H]2C)nn1 1044778192 YGGNXMXLBSJVLM-MNOVXSKESA-N 306.370 -0.468 30 20 DBED C=C[C@H](CC)CC(=O)N1CC(O)(CNC(=O)c2cnon2)C1 1045196859 FPBLQWRWUCPTCF-SNVBAGLBSA-N 308.338 -0.025 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)[C@@]2(C)CCCOC2)C1 1045546021 GUPSRFPDEJMLBO-FZMZJTMJSA-N 309.366 -0.348 30 20 DBED N#CCN1CC[C@@H](N2CCN(C(=O)c3csnn3)CC2)C1 1046046829 FRASSODAONYTEB-LLVKDONJSA-N 306.395 -0.106 30 20 DBED C[C@H](C(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1)[C@H]1CCCO1 1046249413 FIGVEOLLOVZUTM-GXTWGEPZSA-N 320.389 -0.096 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCN(C)C(=O)C2)C1 1047433820 QVPZAZWQQBAEQS-IHRRRGAJSA-N 307.394 -0.618 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCCN(C)C2=O)C1 1047593767 VENSXLFOYLFAIQ-KKUMJFAQSA-N 321.421 -0.228 30 20 DBED C[C@H](NCc1nnnn1C)[C@H]1CCN(C(=O)C#CC2CC2)C1 1047842702 BDUQDTXMBXMVGM-AAEUAGOBSA-N 302.382 -0.050 30 20 DBED C#CCOCCC(=O)N(C)[C@H]1CN(C(=O)C2CCC2)C[C@@H]1O 1048847859 NPECQPITUGEHMM-KBPBESRZSA-N 308.378 -0.144 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)CC(N)=O)C1 1049163825 PXRGZWHWRFAJCU-SRVKXCTJSA-N 311.382 -0.506 30 20 DBED C=CCCN1C[C@H]2CN(C(=O)CN3C(=O)CN(C)C3=O)C[C@H]2C1 1049205647 WTZNPZQXWKSLLX-BETUJISGSA-N 320.393 -0.153 30 20 DBED CC#CCN1CCOC[C@H]1CNC(=O)c1c(C)ncnc1O 1051080271 XYETYESCFSIKME-GFCCVEGCSA-N 304.350 -0.055 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)[C@@H]1CCCN1C(=O)C1CC1 1051156069 OAIUKFCUXIJOGL-CABCVRRESA-N 319.405 -0.162 30 20 DBED CN1CCC[C@@H]1C(=O)N1CC[C@@H](N2CCN(CC#N)CC2)C1 1051996320 MFLNLYBYMFAWHQ-HUUCEWRRSA-N 305.426 -0.177 30 20 DBED C=C(C)CN1CC2(C1)CN(C(=O)CS(C)(=O)=O)CCO2 1053178385 JWPIXLBVGYIUSP-UHFFFAOYSA-N 302.396 -0.480 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)Cc1ccn(C)n1)CCO2 1053248710 PDNIHAVQDRYEKF-UHFFFAOYSA-N 302.378 -0.101 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)[C@H]1CC(=O)N[C@@H](C)C1)CCO2 1053321704 OLNNFIIOLTXXFB-UONOGXRCSA-N 319.405 -0.162 30 20 DBED N#CCN1CC2(C1)CN(C(=O)CCN1CCCC1=O)CCO2 1053536191 JZBLHVCYGHZDDS-UHFFFAOYSA-N 306.366 -0.564 30 20 DBED C=C(C)CN1CC2(C[C@@H](NC(=O)c3c[nH]c(=O)cn3)CO2)C1 1053909173 JJYDONSXDCNYER-LLVKDONJSA-N 304.350 -0.081 30 20 DBED C=C(C)CCC(=O)N[C@]1(CO)CCCN(C(=O)CC(N)=O)C1 1055973056 RIOYFYQYWBPDPK-OAHLLOKOSA-N 311.382 -0.312 30 20 DBED Cc1nonc1C(=O)N1CCC[C@](CO)(NC(=O)[C@@H](C)C#N)C1 1056095502 CGKBZUBQHNLSKF-XPTSAGLGSA-N 321.337 -0.379 30 20 DBED C[C@H](C#N)C(=O)N[C@@]1(CO)CCCN(C(=O)c2cnco2)C1 1056096591 JBVZDVBAPXHSAO-YGRLFVJLSA-N 306.322 -0.082 30 20 DBED N#Cc1cnccc1N1C[C@H]2C(NC(=O)Cn3cncn3)[C@@H]2C1 1056215490 FHQHFTUQTBHTGB-VXGBXAGGSA-N 309.333 -0.204 30 20 DBED N#Cc1ccc(N2C[C@H]3[C@H](NC(=O)Cn4ccnc4)[C@H]3C2)nn1 1056245210 MNPFBUXTXUVKCC-JYAVWHMHSA-N 309.333 -0.204 30 20 DBED N#Cc1ccc(N[C@@H]2CCN(C(=O)[C@H]3CCC(=O)NC3)C2)nn1 1056818173 YXEVMAYCLFPEQT-CMPLNLGQSA-N 314.349 -0.113 30 20 DBED C#CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)[C@H](C)SC 1057056047 NVHWBSUAWHORNX-RYUDHWBXSA-N 316.423 -0.287 30 20 DBED C=CCO[C@H](C)C(=O)NCCN(CCO)C(=O)c1cn[nH]c1 1057076285 BSCXLECOIMIPNX-LLVKDONJSA-N 310.354 -0.449 30 20 DBED C=CCCO[C@H](C)C(=O)N(CCO)CCNC(=O)COC 1057144017 HRHQFFPILMHKRY-GFCCVEGCSA-N 302.371 -0.449 30 20 DBED C#CCO[C@H](C)C(=O)N(CCO)CCNC(=O)c1c[nH]nc1C 1057584223 HPVOLOGYXLGZOF-GFCCVEGCSA-N 322.365 -0.693 30 20 DBED N#Cc1cncc(N2CCC[C@@H](NC(=O)[C@H]3CNC(=O)N3)C2)n1 1058231317 DZEWFWUQAHVITB-MWLCHTKSSA-N 315.337 -0.885 30 20 DBED CCn1ncc(C(=O)N[C@H]2CCN(c3cncc(C#N)n3)C2)n1 1058353461 HJXMQTBBFHNKCX-JTQLQIEISA-N 312.337 -0.032 30 20 DBED O=C(C#CC1CC1)NCCN(CCO)C(=O)c1cccnn1 1058529776 UYLQGTADXSCMJT-UHFFFAOYSA-N 302.334 -0.559 30 20 DBED N#Cc1cnc(NC[C@@H]2CCN(C(=O)Cc3nc[nH]n3)C2)cn1 1060918849 RTVODMPEVKILOA-JTQLQIEISA-N 312.337 -0.031 30 20 DBED CC(C)(C)C#CC(=O)NC[C@H]1COCCN1C(=O)CNC(N)=O 1061573520 UQVFJAWQDHPFDC-NSHDSACASA-N 324.381 -0.952 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H]1COCCN1C(=O)c1cn[nH]c1 1061585490 XGKLWVSKYYLXRK-AAEUAGOBSA-N 320.349 -0.595 30 20 DBED C#CCCCCC(=O)N1CCOC[C@H]1CNC(=O)c1nc[nH]n1 1061766242 DHKMQGMDXDTCKI-GFCCVEGCSA-N 319.365 -0.045 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCOC[C@H]1CNC(=O)c1cnon1 1061806439 ODYJDYCWQJEMPA-YGRLFVJLSA-N 324.337 -0.646 30 20 DBED CNC(=O)CC(=O)NC1(CNC(=O)c2ccc(C#N)[nH]2)CCC1 1062813865 MPGPAEQXUXNUQY-UHFFFAOYSA-N 317.349 -0.209 30 20 DBED C#CCNC(=O)CC(=O)NCC1(NC(=O)[C@H](C)OCC)CCC1 1062829561 RONWFGXVALZNJL-LBPRGKRZSA-N 323.393 -0.294 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)CN2C(=O)CCC2=O)CCC1 1064309611 ZELPXKXCBVJLDM-JTQLQIEISA-N 320.349 -0.550 30 20 DBED N#Cc1cnc(N2CCC[C@]3(CCN(C(=O)C(N)=O)C3)C2)cn1 1064567798 XYOFNDPYACYFEF-HNNXBMFYSA-N 314.349 -0.348 30 20 DBED CC(=O)NCC(=O)N1CCO[C@@H](CNC(=O)C#CC(C)(C)C)C1 1064775355 MYWAWQWYOJSVAP-ZDUSSCGKSA-N 323.393 -0.484 30 20 DBED CCOCC(=O)N1CCO[C@@H](CNC(=O)CSCC#N)C1 1064802557 KVTLLPSGSXRLSK-NSHDSACASA-N 315.395 -0.377 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(C(=O)[C@H]2CCOC2)CCO1 1064935662 VVCVSFXRSVGVOA-UONOGXRCSA-N 306.362 -0.220 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)C[C@@H]2CCNC2=O)CCO1 1065235252 SXCWSAUIMXLOJE-STQMWFEESA-N 323.393 -0.178 30 20 DBED Cn1nnc(C(=O)N[C@@]2(C)CCN(c3ccc(C#N)nn3)C2)n1 1065316796 MVKLNWHDSDHJHV-ZDUSSCGKSA-N 313.325 -0.729 30 20 DBED C=CC(C)(C)C(=O)NC[C@@H]1CN(C(=O)c2nc[nH]n2)CCO1 1065450233 WIFBKCLNOFIAJA-SNVBAGLBSA-N 307.354 -0.026 30 20 DBED CC(C)C#CC(=O)N[C@H]1CCCN(C(=O)[C@H]2CNC(=O)N2)CC1 1066147256 HGZWITCPADWBIE-QWHCGFSZSA-N 320.393 -0.176 30 20 DBED N#Cc1cncc(N2C[C@H](CNC(=O)c3ccncc3)[C@@H](O)C2)n1 1067642340 BUMLWYRUNFIAMQ-JSGCOSHPSA-N 324.344 -0.030 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](CNC(=O)c3cc[nH]n3)C2)cn1 1067650707 BNWRFLMDNDVHHW-QMTHXVAHSA-N 312.333 -0.097 30 20 DBED CN(C[C@@H]1CCCN1C(=O)CC(N)=O)c1nccnc1C#N 1067744386 UUDOHESQEIUPBR-JTQLQIEISA-N 302.338 -0.349 30 20 DBED C=CCN1CCn2ncc(CNC(=O)[C@H]3CCNC3=O)c2C1 1069869765 BGGPEPVSRZFAEI-LBPRGKRZSA-N 303.366 -0.363 30 20 DBED C=CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H]2CCNC2=O)C1 1069997424 APEMLJUTBXWKTQ-UPJWGTAASA-N 318.381 -0.668 30 20 DBED Cn1cncc1CC(=O)N1C[C@H](n2ccnn2)[C@H](NCC#N)C1 1070310930 DADYHECSCIUJLC-OLZOCXBDSA-N 314.353 -0.881 30 20 DBED C#CCN1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CCC(=O)N2)C1 1070432489 HHZPWKQGQOTXML-YPMHNXCESA-N 315.377 -0.273 30 20 DBED C=CCN[C@@H]1CN(C(=O)Cc2nc[nH]n2)C[C@H]1c1cn(C)cn1 1070552964 SHEYCVPPABGDAI-WCQYABFASA-N 315.381 -0.149 30 20 DBED N#CCN1C[C@H]2C[C@H]3CN(C(=O)C[C@H]4COC(=O)C4)C[C@@]3(C1)O2 1070786602 JBOOLLKPPYUTSK-OQMKEHIESA-N 319.361 -0.235 30 20 DBED C#CCCN1CCNC(=O)CCN(C(=O)c2ncn(C)n2)CC1 1070961621 WUEFUHGYUVZBLR-UHFFFAOYSA-N 318.381 -0.898 30 20 DBED CC#CCN1CCN([C@@H]2CCCN(C(=O)COC)C2)C(=O)C1 1071252329 YETPZDKSLJCFPC-CQSZACIVSA-N 307.394 -0.209 30 20 DBED C[C@H]1CN(C(=O)CNC(=O)C2CC2)C[C@H]1NC(=O)C#CC1CC1 1071686854 AGXWMQKCSBVFBR-SMDDNHRTSA-N 317.389 -0.111 30 20 DBED C#Cc1cncc(C(=O)N2C[C@@H](C)[C@@H](NC(=O)CC(N)=O)C2)c1 1072706842 RAOHFQZXNYUSOG-MFKMUULPSA-N 314.345 -0.485 30 20 DBED CC#CCN1CCCO[C@@H](CNC(=O)[C@H]2COCCN2C)C1 1073578755 VKHZJZMTMQLZOT-LSDHHAIUSA-N 309.410 -0.453 30 20 DBED C=CCN1CCCO[C@@H](CNC(=O)c2cnc(O)n(C)c2=O)C1 1073723565 KNNGYCXYQHCTIC-NSHDSACASA-N 322.365 -0.507 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)Cc3cn(CC)nn3)C[C@H]21 1074302654 URJFWXRVCILPKV-CABCVRRESA-N 317.393 -0.225 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CCN(C(=O)CC(=O)N(C)C)CC1 1074592581 WLMKQLATHFDVDQ-LLVKDONJSA-N 324.381 -0.906 30 20 DBED CCn1nc(C(=O)N2CC[C@H]3CN(CC#N)C[C@H]32)ccc1=O 1076371222 MBCNGEVBGQWLEE-WCQYABFASA-N 301.350 -0.067 30 20 DBED C#CCO[C@@H](C)C(=O)NCC[C@H](C)NC(=O)C1=COCCO1 1076508911 ISUFHKKQLAJUOA-RYUDHWBXSA-N 310.350 -0.076 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CN(Cc3ccon3)C[C@H]2O)c1 1076855652 GNPUJYUHKWZEPV-CHWSQXEVSA-N 301.306 -0.151 30 20 DBED CN1C(=O)Cc2ccc(C(=O)N[C@@H]3CN(CC#N)C[C@H]3O)cc21 1077317210 GIBSPZXZASNTHO-TZMCWYRMSA-N 314.345 -0.496 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2CN(Cc3cnon3)C[C@H]2O)c1 1077648384 HULGHSMDBFHFCF-ZIAGYGMSSA-N 313.317 -0.579 30 20 DBED N#CCN[C@@H]1C[C@@H](NC(=O)CN2CCOCC2=O)C12CCC2 1078648390 ZBSGNHZZNCHGRQ-VXGBXAGGSA-N 306.366 -0.614 30 20 DBED N#CCN[C@@H]1C[C@H](NC(=O)Cn2ccc(O)nc2=O)C12CCC2 1078672751 FITBGXDZPHYNCC-MNOVXSKESA-N 317.349 -0.511 30 20 DBED C#CCOCCC(=O)N1CC(N(CC)C(=O)[C@H]2CCNC2=O)C1 1080214785 RCOAFLGHHSNWOK-ZDUSSCGKSA-N 321.377 -0.778 30 20 DBED C#CCC1(C(=O)N2CCC(CO)(NC(=O)C(N)=O)CC2)CCC1 1080976176 OFDDXBFBHOABOH-UHFFFAOYSA-N 321.377 -0.865 30 20 DBED CSCC(=O)NC[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1O 1081237777 TYNWWXYCKKWHLW-PWSUYJOCSA-N 322.390 -0.202 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2cc[nH]n2)C1 1081286816 PQUMFTQLTNJPCK-DGCLKSJQSA-N 304.350 -0.382 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)CSCC#N)C[C@H]1O 1081463299 LGCYLLSYOMFDRR-CHWSQXEVSA-N 323.418 -0.162 30 20 DBED C=C(C)CCC(=O)NC[C@H]1CN(C(=O)Cn2nccn2)C[C@H]1O 1081533407 KJXKVRUEULEWJF-QWHCGFSZSA-N 321.381 -0.430 30 20 DBED C=C(C)CCC(=O)NC[C@@H]1CN(C(=O)Cc2nc[nH]n2)C[C@@H]1O 1081534645 YIMVEJLOFOXQKQ-NEPJUHHUSA-N 321.381 -0.361 30 20 DBED C=CCCC(=O)N1C[C@H](CNC(=O)Cc2nc[nH]n2)[C@@H](O)C1 1081791827 XEFFBZPMGRWWNU-QWRGUYRKSA-N 307.354 -0.751 30 20 DBED COC(=O)NCC(=O)N1CCCC[C@H]1CNC(=O)[C@H](C)C#N 1081917815 WJCIURMXYVPSPN-MNOVXSKESA-N 310.354 -0.001 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)C1CN(C(C)=O)C1 1083063547 OYNUVWTUGGLPTD-LSDHHAIUSA-N 305.378 -0.600 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1C[C@@H](C)CC(=O)N1 1083084790 GVUXFPACOIXHHO-APIJFGDWSA-N 319.405 -0.164 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2c(C)oc3ncnc(O)c23)C1 1083521608 AOZYDCYPQKOWAG-ZJUUUORDSA-N 316.317 -0.355 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)C2CCC(C(N)=O)CC2)C1 1083591289 WGNJGVTUPPESIR-PQAZSJQKSA-N 307.394 -0.537 30 20 DBED CC#CCN1CC[C@@H]2CN(C(=O)CN3CCOCC3=O)C[C@@H]2C1 1087995461 NEKSDMPMFWXHKI-CABCVRRESA-N 319.405 -0.351 30 20 DBED N#Cc1cncc(NCC2(CCNC(=O)CC(N)=O)CC2)n1 1089923638 NWVBFXOHZGZQDE-UHFFFAOYSA-N 302.338 -0.078 30 20 DBED CC#CCN1CC[C@@H](NC(=O)Cc2cn(C)nc2C)[C@H](O)C1 1090331578 LOGBOGHXGPVYGO-HUUCEWRRSA-N 304.394 -0.154 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2cn(C)ccc2=O)[C@H](O)C1 1090421118 UEHPVFKITBVTQR-DZGCQCFKSA-N 303.362 -0.426 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(c2cncc(Cl)n2)C[C@@H]1O 1091082065 WGFBPZVCXVCHQS-ZJUUUORDSA-N 312.757 -0.002 30 20 DBED CC#CCN1C[C@@H]2CN(C(=O)[C@@H]3CN(C)C(=O)N3)C[C@]2(C)C1 1091916343 GSBPFMVAHBAXCR-WWGRRREGSA-N 304.394 -0.186 30 20 DBED COCCC(=O)N[C@H]1CCN(c2cnc(C#N)cn2)C[C@@H]1O 1092129752 CBEQPLRFLWKNBW-RYUDHWBXSA-N 305.338 -0.559 30 20 DBED N#Cc1cc([N+](=O)[O-])ccc1NCCNC(=O)Cn1ncnn1 1093889908 OVUFBMKWEKGAFD-UHFFFAOYSA-N 316.281 -0.319 30 20 DBED Cn1cc(C(N)=O)cc1C(=O)NCCNc1ccc(C#N)nn1 1094250722 IRPCMKCTDIZCGR-UHFFFAOYSA-N 313.321 -0.372 30 20 DBED CO[C@@H](C(=O)NCCCN=c1cc[nH]c(C#N)n1)[C@@H]1CCOC1 1094684329 SIOKRDKQOVSVOO-BXUZGUMPSA-N 319.365 -0.260 30 20 DBED Cc1nscc1C(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1 1094722751 XAPQRMBZWUHBSS-SNVBAGLBSA-N 319.390 -0.010 30 20 DBED C=CCCN1CC(N2C[C@H](NC(=O)c3cnon3)CC2=O)C1 1094799123 FOQJGTOYMDXEGK-SNVBAGLBSA-N 305.338 -0.339 30 20 DBED COCCn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC#N)nn1 1095404908 FRCOVQLLQVBKTL-MDZLAQPJSA-N 304.354 -0.217 30 20 DBED CN(CCCNC(=O)[C@H]1COCCO1)c1cncc(C#N)n1 1095490144 SLZMNSAEAOQEIO-GFCCVEGCSA-N 305.338 -0.294 30 20 DBED N#Cc1nc(=N[C@@H](CNC(=O)Cc2nc[nH]n2)C2CC2)cc[nH]1 1096731322 AGGKKDZTTHALFU-JTQLQIEISA-N 312.337 -0.562 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1C[C@H](NC(=O)C(=O)NCC2CC2)C1 1097056058 BNVVDVZCXWYKMO-JOCQHMNTSA-N 313.361 -0.040 30 20 DBED C[C@H](CNC(=O)CC1CS(=O)(=O)C1)N=c1cc[nH]c(C#N)n1 1098123430 BEHQBHRHCLBRFZ-SECBINFHSA-N 323.378 -0.879 30 20 DBED C[C@H](CNC(=O)c1nnc(O)nc1O)Nc1ncccc1C#N 1098435039 FLDMNEXWZYMOCA-SSDOTTSWSA-N 315.293 -0.220 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)C(C)(C)F)[C@H](O)C1 1099609648 DAYWOAKARAJVLW-GHMZBOCLSA-N 301.362 -0.412 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)c2cccn2C)[C@@H](O)C1 1099669639 VNMHLZJSEAWVIM-OCCSQVGLSA-N 320.393 -0.508 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(Cc2nc(C)no2)C[C@@H]1O 1099741052 NIYXSTVKXWIZIW-RYUDHWBXSA-N 310.354 -0.368 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)c2cnnn2C)[C@@H](O)C1 1099802684 ZRVYZRXDFUXBGZ-AAEUAGOBSA-N 309.370 -0.817 30 20 DBED CCN(CC)C(=O)CN1CC[C@H](NC(=O)C#CC2CC2)[C@H](O)C1 1099826019 FHAHBBGAVUSISQ-LSDHHAIUSA-N 321.421 -0.180 30 20 DBED Cn1ccc(CN2CC[C@@H](NC(=O)C#CC3CC3)[C@H](O)C2)n1 1099827638 YDJWQGRPMXEZJN-HUUCEWRRSA-N 302.378 -0.115 30 20 DBED C#CCCN1CC[C@H](NC(=O)CCNC(=O)C2CCC2)[C@@H](O)C1 1100032109 OZKTXLDRQMMTBF-GJZGRUSLSA-N 321.421 -0.133 30 20 DBED C=CCCOCC(=O)N[C@H]1CCN(CC#CCOC)C[C@H]1O 1100138468 IZRUOHQRQYRAIX-LSDHHAIUSA-N 310.394 -0.220 30 20 DBED CN(CCNC(=O)c1cn(C)c(=O)n1C)c1ncccc1C#N 1100153228 BRYKCBBNTBIZAT-UHFFFAOYSA-N 314.349 -0.143 30 20 DBED CCN(CCNC(=O)[C@@H](C)CC(N)=O)c1ccnc(C#N)n1 1100676475 KBEOORVETNTITB-JTQLQIEISA-N 304.354 -0.198 30 20 DBED N#Cc1cnc(N2CCC[C@H]2CNC(=O)CNC(N)=O)cn1 1100779308 GQDWUASQHKQFOV-JTQLQIEISA-N 303.326 -0.898 30 20 DBED N#Cc1nccnc1N1CCC[C@H]1CNC(=O)Cn1nccn1 1100871693 BZROXLSUJNYQOS-NSHDSACASA-N 312.337 -0.275 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)[C@H]1CC[C@@H]1C(N)=O 1101892895 LFKQHHAXOVHYRD-UWVGGRQHSA-N 302.338 -0.848 30 20 DBED CN(CCNc1ccc(C#N)nn1)C(=O)c1cc(=O)n(C)cn1 1102030292 DVLIFHHCNGIKIQ-UHFFFAOYSA-N 313.321 -0.374 30 20 DBED Cc1cc(C#N)nc(N2CC[C@@H](N(C)C(=O)CC(N)=O)C2)n1 1102680604 KJUOCACUIXKBIU-LLVKDONJSA-N 302.338 -0.431 30 20 DBED CN(C(=O)C(C)(C)C(N)=O)[C@@H]1CCN(c2nccnc2C#N)C1 1102740500 PYTRGQHSXGCOCV-SNVBAGLBSA-N 316.365 -0.103 30 20 DBED C[C@H](CNC(=O)[C@H]1CCNC1=O)CNc1nccnc1C#N 1104157142 GJGCJKRPSIHMKH-UWVGGRQHSA-N 302.338 -0.351 30 20 DBED CN(CCN(C)c1ccc(C#N)nn1)C(=O)[C@@H]1COCCO1 1105339628 RIOGDTKXCJQGGC-LBPRGKRZSA-N 305.338 -0.342 30 20 DBED Cn1nccc1C(=O)NC[C@@H](O)CN=c1cc[nH]cc1C#N 1105740294 WYCNQOWVOHHKKC-NSHDSACASA-N 300.322 -0.689 30 20 DBED CCn1cnc(C(=O)NC[C@@H](O)CNc2nccnc2C#N)c1 1105916409 MGSQKAKSNAMECG-JTQLQIEISA-N 315.337 -0.233 30 20 DBED CCn1ccc(C(=O)NC[C@@H](O)CNc2cncc(C#N)n2)n1 1105982153 KLSDZSGTAYOXPF-NSHDSACASA-N 315.337 -0.233 30 20 DBED C[C@@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)[C@H]1CCCNC1=O 1106471156 RXEDRMCDZXRHBO-QWRGUYRKSA-N 316.365 -0.397 30 20 DBED C=CCCN1CC(n2cc(CNC(=O)Cn3cnnn3)nn2)C1 1107126294 MBDXOVJQCRUFNN-UHFFFAOYSA-N 317.357 -0.986 30 20 DBED CNC(=O)NCCC(=O)NC/C=C\CNc1cnc(C#N)cn1 1107151098 GSMXLOWWDDVWLZ-IHWYPQMZSA-N 317.353 -0.248 30 20 DBED CNC(=O)CN1CCO[C@@](C)(CNC(=O)c2c[nH]c(C#N)c2)C1 1107883593 XQBVNMNDOAYWMY-HNNXBMFYSA-N 319.365 -0.547 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)c2ccc(=O)n(C)c2)C1 1108048623 ZDZBEHNOBPCDSF-MRXNPFEDSA-N 303.362 -0.161 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1108093910 IYBIDAFLRXFVTG-LJIGWXMPSA-N 322.405 -0.122 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)CNC(=O)C3CC3)CC2=O)C1 1108509321 HCENAYYXPPXWIP-GFCCVEGCSA-N 320.393 -0.900 30 20 DBED C[C@@H](CN(C)c1ccc(C#N)cn1)NC(=O)Cn1cnnc1O 1108945071 NOGYTYVQUPPDFP-JTQLQIEISA-N 315.337 -0.109 30 20 DBED N#Cc1nccnc1NC[C@@H](NC(=O)[C@H]1CCC(=O)N1)C1CC1 1109793825 LUQGJNZYUJPBIS-ZYHUDNBSSA-N 314.349 -0.066 30 20 DBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H]1[C@H]2COC[C@H]21 1110928783 FHDRGGIBONORGK-ULSDXFBPSA-N 319.405 -0.098 30 20 DBED C#CCOCCC(=O)NC[C@@]1(O)CCN(c2nc(C)ns2)C1 1111098977 XYDHTHLFMZJQLI-AWEZNQCLSA-N 324.406 -0.056 30 20 DBED C#CCO[C@@H](C)C(=O)N(CCO)CCNc1cncc(C#N)n1 1111510948 QVOADBFNFKPNAU-LBPRGKRZSA-N 317.349 -0.381 30 20 DBED N#Cc1cnc(NCCN(CCO)C(=O)c2cnco2)cn1 1111533944 PDCGOSOHXLELHT-UHFFFAOYSA-N 302.294 -0.117 30 20 DBED C[C@@H](CC(N)=O)C(=O)N(CCO)CCNc1ccc(C#N)nc1 1111534554 CNFWRKMTPJCDMU-NSHDSACASA-N 319.365 -0.302 30 20 DBED C#CCOCCC(=O)N1CCN(Cc2nnnn2C2CC2)CC1 1112843916 MOBDAQXKYHZULV-UHFFFAOYSA-N 318.381 -0.308 30 20 DBED C[C@@H](CNC(=O)[C@@H]1COCCN1C)N(C)c1nccnc1C#N 1113561335 YMUQIJNSQALAAG-AAEUAGOBSA-N 318.381 -0.380 30 20 DBED C[C@H](CNC(=O)CCn1cnnn1)N(C)c1ncccc1C#N 1113685825 JYGREHMHICCREZ-LLVKDONJSA-N 314.353 -0.029 30 20 DBED Cc1ccc(C(=O)NC2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]23)o1 1113809787 ORCFVSKRKKIRCN-GHMZBOCLSA-N 302.334 -0.112 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)c3cnn(C)c3)[C@H]2C1 1113842623 WQBFWNMDURNLLG-DRZSPHRISA-N 317.393 -0.229 30 20 DBED COCC#CCN1C[C@@H]2C(NC(=O)Cc3cnn(C)c3)[C@H]2C1 1113993456 YPRUAYGMRXVMHD-KBPBESRZSA-N 302.378 -0.341 30 20 DBED Cc1nc(C)c(C(=O)N[C@H]2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]32)o1 1114092748 BRNNMNFDNDRGNK-PJXYFTJBSA-N 317.349 -0.409 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@@H]2CN(Cc3cncs3)C[C@@H]12 1114159456 FQCTXPPPZQSZFM-VXGBXAGGSA-N 318.402 -0.171 30 20 DBED CC#CCCCC(=O)NC1[C@H]2CN(CC(=O)NC(N)=O)C[C@H]12 1114718655 SGXFHRPGGOODDG-QWRGUYRKSA-N 306.366 -0.579 30 20 DBED COCC#CCN1C[C@@H]2C(NC(=O)CCCC(=O)N(C)C)[C@H]2C1 1115138579 WLQADGSVLSBZJW-KBPBESRZSA-N 321.421 -0.059 30 20 DBED C#CCN1C[C@H]2C(NC(=O)CS(=O)(=O)NC(C)(C)C)[C@@H]2C1 1115254927 SJXCPSSMIWVCMZ-GHMZBOCLSA-N 313.423 -0.616 30 20 DBED Cc1cc(=N[C@@H](C)CN(C)C(=O)Cn2cnnn2)c(C#N)c[nH]1 1115605450 DEIYRUBIIZLSMI-NSHDSACASA-N 314.353 -0.371 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1C[C@H](C)OC[C@H]1C 1117586232 DEYDLKTXMBCBLQ-MNOVXSKESA-N 318.395 -0.661 30 20 DBED C[C@H](O)CN(C(=O)C(=O)Nc1ccc(C#N)cn1)[C@H](C)CO 1117751897 VNNJDXCXWWITNJ-ZJUUUORDSA-N 306.322 -0.518 30 20 DBED C[C@H](CN(C)C(=O)[C@@H]1CN(C)C(=O)N1)Nc1nccnc1C#N 1120408572 NVRQWKGCVVYTIG-KOLCDFICSA-N 317.353 -0.369 30 20 DBED Cc1cc(C#N)nc(N[C@@H](C)CN(C)C(=O)[C@H]2CNC(=O)N2)n1 1120634541 NPBQBGGWVQSCLH-GXSJLCMTSA-N 317.353 -0.403 30 20 DBED CC(=O)N1CC(C(=O)NC[C@@H](CO)Nc2ccc(C#N)nc2)C1 1121365951 PXNBYNCZJPZIHK-AWEZNQCLSA-N 317.349 -0.679 30 20 DBED Cc1cc(C#N)nc(N[C@@H](CO)CNC(=O)[C@H]2CCN(C)C2)n1 1121591829 WPMMFBOHNBIYJP-WCQYABFASA-N 318.381 -0.503 30 20 DBED C=CCn1c(CCO)nnc1N1CCO[C@@H](CC(=O)OC)C1 1121715182 SKQZFFMUOHJNJM-NSHDSACASA-N 310.354 -0.233 30 20 DBED CC(C)[C@@H](C(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1)N(C)C 1121839863 OEPPAULFQHPASB-RISCZKNCSA-N 320.397 -0.755 30 20 DBED Cc1cnn(C)c1C(=O)NC[C@H](CO)N=c1cc[nH]cc1C#N 1122342617 PYIDWTZMDMFWMZ-GFCCVEGCSA-N 314.349 -0.380 30 20 DBED CN(C[C@@H](O)CN(C)c1ccnc(C#N)n1)C(=O)c1ccon1 1124981987 MVZOCIWDUWGKEN-JTQLQIEISA-N 316.321 -0.094 30 20 DBED C#CCNC(=O)CC(=O)NCCNCc1c(CC)noc1C 1125978390 PZISXHBSQZDSKW-UHFFFAOYSA-N 306.366 -0.109 30 20 DBED C#CCNC(=O)CC(=O)NCCNCc1noc(C(C)(C)C)n1 1125978587 UNJGIQBJQSGKLO-UHFFFAOYSA-N 321.381 -0.288 30 20 DBED C=C[C@](C)(O)CC(=O)NCCNCC(=O)NC[C@@H]1CCOC1 1126377631 CMQBLEMGFRKZOX-WFASDCNBSA-N 313.398 -0.828 30 20 DBED C#CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H](O)C(C)C)C1 1128957705 DQNRDMOBZPJMLH-HZSPNIEDSA-N 305.382 -0.340 30 20 DBED C#CCNC(=O)CNCCNC(=O)C[C@@H]1CCCN1C(C)C 1129418964 YZFVRWISISJGOV-AWEZNQCLSA-N 308.426 -0.296 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)COCc1nccn1C 1130041445 MIIJWGGTWRKRGM-LBPRGKRZSA-N 323.397 -0.667 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@]1(C)CCNC(=O)C1 1130208600 PFLIHZSQWSEARC-IAQYHMDHSA-N 310.398 -0.701 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)c1cncn1C 1130901464 XQPZSWPVWHMGFG-UHFFFAOYSA-N 305.382 -0.060 30 20 DBED C#CCCN[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1c1cncn1C 1131093664 BYCZNKNLKUDWEU-VXGBXAGGSA-N 313.365 -0.241 30 20 DBED C=C(C)CN1CCNC(=O)CCN(C(=O)[C@H](C)NC(C)=O)CC1 1131325411 DWGFRMOBVQLBRR-ZDUSSCGKSA-N 324.425 -0.262 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)c1cnn(C)c1N 1134152448 OKVKJNPOPXDTLP-MNOVXSKESA-N 320.397 -0.762 30 20 DBED C=CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)C1CN(C(C)=O)C1 1134240618 TWICVRYAEBWWMN-RYUDHWBXSA-N 324.425 -0.360 30 20 DBED C[C@@H](NS(C)(=O)=O)C(=O)NCCNCc1ccc(C#N)cc1 1134352495 KXNFTMKZSWHNOD-LLVKDONJSA-N 324.406 -0.298 30 20 DBED C=CCC[C@@H](C)NCCNC(=O)CNS(=O)(=O)N(C)C 1134487671 XQEORWMMOMNZFA-LLVKDONJSA-N 306.432 -0.557 30 20 DBED C[C@@H](C[C@@H](C)NCC(=O)NCC#N)NC(=O)CCCN(C)C 1135317548 ZBEILTTZLMTHEY-OLZOCXBDSA-N 311.430 -0.159 30 20 DBED C#CCO[C@H](C)C(=O)N1CC2(CCN(CC(=O)NCC)C2)C1 1147530925 RRYRQYIDGWCPGB-CYBMUJFWSA-N 307.394 -0.305 30 20 DBED C#CCOc1ncccc1C(=O)NCCNCc1cnnn1C 1148302495 OTDCLMMAPFUMKF-UHFFFAOYSA-N 314.349 -0.258 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)N1CC2(CCN(CC(N)=O)C2)C1 1148390991 NCNJPPJKTOGDIH-ZDUSSCGKSA-N 322.409 -0.523 30 20 DBED C#CCNC(=O)CN1CCCO[C@H](CNC(=O)CCC=C)C1 1149341455 NLJUYDOYKBHLRY-CQSZACIVSA-N 307.394 -0.091 30 20 DBED C=CCO[C@@H](C)C(=O)NCCNCC(=O)Nc1cnccn1 1153135308 QAFLIUQNRJVTLM-NSHDSACASA-N 307.354 -0.288 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H](C)N(CC)Cc1nnnn1C 1153327340 NDRGXHRCTVDBBQ-NEPJUHHUSA-N 308.386 -0.425 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)[C@@H]1COCCN1C 1156815784 DXAKPYLNXOQPDN-OLZOCXBDSA-N 312.414 -0.896 30 20 DBED C#CCCN(C)C[C@H]1CCCCN1C(=O)CN1CC(=O)NC1=O 1158612294 ZZASWHZVMKKLAH-CYBMUJFWSA-N 320.393 -0.126 30 20 DBED N#CCN1CC=C(CCNC(=O)[C@H]2CCS(=O)(=O)N2)CC1 1161888642 JDBMYRPHUMJZGS-GFCCVEGCSA-N 312.395 -0.660 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NCCCNCC(=O)N1CCC1 1167684871 MYZLDDLJIIGQOM-AWEZNQCLSA-N 324.425 -0.215 30 20 DBED C#CCNC(=O)CNCCCCCCNC(=O)[C@@H]1CCNC1=O 1179231282 XOVYOMJPOWMSOL-ZDUSSCGKSA-N 322.409 -0.862 30 20 DBED C[C@@H]1CN(C(=O)CN2CCCNC2=O)C[C@@]1(C)CNCC#N 1182001750 VKDNXAYACSUHJZ-IUODEOHRSA-N 307.398 -0.001 30 20 DBED C#CCCNC[C@@H]1CCN(C(=O)Cn2c(O)nnc2O)C[C@H]1C 1185576305 ZVWUNHRMPLVCKH-NEPJUHHUSA-N 321.381 -0.213 30 20 DBED C#CCNC[C@@H]1CN(C(=O)[C@H](C)NC(N)=O)CC12CCOCC2 1186349619 KIASXESFTVSROB-QWHCGFSZSA-N 322.409 -0.479 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](N(C)CCOCC=C)C1 1189759931 FIOJAYQCUWWIEX-AWEZNQCLSA-N 307.394 -0.139 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)[C@H]3CCN(C)C3)[C@@H]2C1 1190147852 ACJLSSSQDGIALR-SOUVJXGZSA-N 318.421 -0.780 30 20 DBED C=CCNC(=O)[C@H](C)N(C)[C@H]1CCN(C(=O)Cn2nccn2)C1 1190382422 XYFDNSZJOHEDQG-STQMWFEESA-N 320.397 -0.499 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)/C=C(/C)C2CC2)C1 1191392045 FVGTUCHFAGPTAL-ADCRAKMSSA-N 319.405 -0.358 30 20 DBED Cc1n[nH]cc1C(=O)N1CC[C@@H](N(C)CC(=O)NCC#N)C1 1191639819 HEGZSYONVLRXFP-LLVKDONJSA-N 304.354 -0.496 30 20 DBED C=CCCC(=O)N[C@@H]1CN([C@@H]2CCN(CC=C)C2=O)C[C@H]1O 1191724545 KQGDPELCDICGDP-MGPQQGTHSA-N 307.394 -0.099 30 20 DBED C=CCN1CC[C@H](N2C[C@@H](O)[C@H](NC(=O)/C(C)=C/C)C2)C1=O 1192127782 OIKBVJDSRADPNC-ZYWIEADCSA-N 307.394 -0.099 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(CCN2CCCC2=O)C[C@H]1O 1192761834 OPNCQGHDHZBSTD-ZIAGYGMSSA-N 307.394 -0.571 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@@]2(CC(C)C)CCNC2=O)C1 1193912098 RRYBZRAZXATDTJ-CKEIUWERSA-N 321.421 -0.277 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC2(F)F)C1 1194023761 OWWMTZKJNHUCBD-HBNTYKKESA-N 317.336 -0.505 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCCN(C(=O)Cc2cnc[nH]2)CC1 1197269084 BSMUGZBLYHALIF-CYBMUJFWSA-N 317.393 -0.376 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC(NCC(=O)NC2CC2)CC1 1200532767 XZMWVCUTXGBYIR-LBPRGKRZSA-N 307.394 -0.116 30 20 DBED C#CCNC[C@H]1CN(C(=O)[C@H](C)CN2CCOCC2)CCCO1 1202071165 XPCYPYKWBGSYGA-CVEARBPZSA-N 323.437 -0.205 30 20 DBED C#CCN[C@H]1C[C@H]2CC[C@H]1N(C(=O)CCS(=O)(=O)NC)C2 1204343176 DOEZCLNIKZSYFG-FRRDWIJNSA-N 313.423 -0.472 30 20 DBED N#CCNC(=O)CNCC1CCN(C(=O)[C@H]2CCCO2)CC1 1204386141 RAYNEIPHAPSKGS-CYBMUJFWSA-N 308.382 -0.367 30 20 DBED C[C@@H]1CN(CCn2cncn2)C[C@H]1NC(=O)CSCC#N 1206096270 OXDNZKWOFPVVIK-VXGBXAGGSA-N 308.411 -0.029 30 20 DBED C#CCN1C[C@@H](NC(=O)CNC(=O)c2ccncc2)[C@H](C)C1 1207037434 JBDUASOLVBOYCF-TZMCWYRMSA-N 300.362 -0.119 30 20 DBED Cc1cnn(C)c1C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1208350857 RILGFAOLXXVBSA-VXGBXAGGSA-N 318.381 -0.582 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)CCN(C)CCC)[C@H](C)C1 1210485880 NJIUGOIPDSBEOM-HUUCEWRRSA-N 322.453 -0.096 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@H](NC(N)=O)C(C)(C)C)[C@H](OC)C1 1213721373 MCHBEJXYYCCLQA-UTUOFQBUSA-N 310.398 -0.482 30 20 DBED Cc1ccnc(C(=O)N2C[C@@H](NCC(=O)NCC#N)[C@H](C)C2)n1 1214535401 RGPNFYXXUHTQMH-ZYHUDNBSSA-N 316.365 -0.525 30 20 DBED CNC(=O)C1(C(=O)N2C[C@@H](NCC#CCOC)[C@H](C)C2)CC1 1215915449 AWDZTXVSWHSSRY-CHWSQXEVSA-N 307.394 -0.401 30 20 DBED CC(C)(C)C(=O)NCCC(=O)N1CCO[C@@H]2CN(CC#N)C[C@@H]21 1218415312 ZGUXHANXNLXSOO-QWHCGFSZSA-N 322.409 -0.026 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C2C(C)(C)C2(C)C)C1 1219415754 GASUPUQCDXQZQU-NEPJUHHUSA-N 321.421 -0.421 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)[C@H](C)n2cccc2)C1 1219469714 VYZLWTNJVWCUGH-ZNMIVQPWSA-N 305.378 -0.140 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)[C@H](C)c2ccnn2C)C1 1219652403 XZMGVJNFTMMJDF-NFAWXSAZSA-N 320.393 -0.665 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)CNC(=O)c2ccoc2)C1 1219681002 JUUQOLUVOJTGNU-OLZOCXBDSA-N 305.334 -0.806 30 20 DBED CCc1cc(C(=O)N[C@@H]2CN(CC#CCOC)C[C@@H]2O)n(C)n1 1220597902 QJERZTNSUSELBE-HIFRSBDPSA-N 320.393 -0.593 30 20 DBED C=CCCCN1C[C@H](O)[C@H](NC(=O)C(=O)N2CC[C@@H](C)C2)C1 1220722916 UYVFMHYEACBEQD-MCIONIFRSA-N 309.410 -0.018 30 20 DBED C=CCCCN1C[C@H](O)[C@H](NC(=O)[C@@H](C)CS(C)(=O)=O)C1 1221102213 MLWUGWZYIDZWFU-XQQFMLRXSA-N 318.439 -0.205 30 20 DBED CC(=O)NC(C)(C)C(=O)NC1CCN(CC(=O)NCC#N)CC1 1229634523 ZQZOOISVUGKZRU-UHFFFAOYSA-N 323.397 -0.879 30 20 DBED CN(C[C@H]1CCN1CC(=O)NCC#N)C(=O)c1cnns1 1230855850 SBDDJFZGKWSNLA-SECBINFHSA-N 308.367 -0.676 30 20 DBED N#CCN1CCC(NC(=O)C(=O)N2CCC(F)(F)C2)CC1 1258227866 KBCCNQDZECPMIQ-UHFFFAOYSA-N 300.309 -0.042 30 20 DBED C[S@](=O)C1(CNC(=O)C(=O)N2CCO[C@H](C#N)C2)CCC1 1261198624 QTJVFYYOWYOQJW-UZJPJQLHSA-N 313.379 -0.845 30 20 DBED C#CCNC(=O)CCN1CCN(C(=O)N2CCOCC2)CC1 1261236822 XZRRPLBKEIJYJB-UHFFFAOYSA-N 308.382 -0.804 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)COc2cccnc2)C1 1267021018 WORLTVCCCQGIQX-ZDUSSCGKSA-N 318.377 -0.047 30 20 DBED O=C1C=CC=N/C1=C(/O)NCCN1C(=O)N[C@@H](C2CC2)C1=O 1320763608 LXRHJWDBOFAISH-IUZMTQGWSA-N 304.306 -0.157 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCC(CCC(=O)OC)CC1 1322966273 DHUQVHMHOGJCFY-UHFFFAOYSA-N 324.377 -0.056 30 20 DBED CNC(=O)[C@H]1CCC[C@@H]1NC(=O)C(=O)NCC1(CC#N)CC1 1324829536 KARFEMMQOURECX-QWRGUYRKSA-N 306.366 -0.173 30 20 DBED CCCN1CCCN(C(=O)C(=O)N2CCO[C@H](C#N)C2)CC1=O 1325392998 AOLKTUJYYUGAGN-GFCCVEGCSA-N 322.365 -0.792 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)N2CCCN3CCC[C@@H]3C2)C1 1326249090 MOXVNSNRXWTNED-CJNGLKHVSA-N 320.393 -0.440 30 20 DBED C[C@H]1CS(=O)(=O)CCN1C(=O)C(=O)Nc1ccc(C#N)cn1 1327834437 NMDYWHFZEQEJRN-VIFPVBQESA-N 322.346 -0.463 30 20 DBED COCC#CC(=O)N1CCC(N2CCS(=O)(=O)CC2)CC1 1328662010 UIINMTWCRILCET-UHFFFAOYSA-N 314.407 -0.642 30 20 DBED C#CCNC(=O)C1CCN(C(=O)C(=O)N[C@H](C)COC)CC1 1329048186 PMYMNKMLLRRROO-LLVKDONJSA-N 309.366 -0.875 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N1C[C@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1 1329795685 ZHAHZTQANWFQBO-LXTVHRRPSA-N 318.373 -0.104 30 20 DBED C=CCC1(O)CCN(C(=O)C(=O)NCCOCCOC)CC1 1331636617 OLSLXTUSTIPVHN-UHFFFAOYSA-N 314.382 -0.305 30 20 DBED C=CCOCCNC(=O)N(CCN1CCOCC1)CC(=O)O 1332580431 UJUPEQWWENBJSK-UHFFFAOYSA-N 315.370 -0.383 30 20 DBED CCCN(CCCN(C)C)C(=O)C(=O)N1CCO[C@H](C#N)C1 1344926277 WOSBZXATDUFZFK-CYBMUJFWSA-N 310.398 -0.072 30 20 DBED C=CCOC[C@@H](NC(=O)[C@@H]1COCCN1CC(F)F)C(=O)O 1350770146 ZFHDIQYPLVHSTE-ZJUUUORDSA-N 322.308 -0.276 30 20 DBED C[C@@H]1CN(C(=O)CCn2cc(C#N)c(O)nc2=O)CCCO1 1362112142 RKRSLRJZUNXVRX-SNVBAGLBSA-N 306.322 -0.152 30 20 DBED CNS(=O)(=O)N1CCC(C(=O)NCC2(C#N)CCC2)CC1 1362577263 NVXPWRTUKOBUAO-UHFFFAOYSA-N 314.411 -0.027 30 20 DBED N#Cc1cn(CCNC(=O)[C@@H](O)c2ccccc2)c(=O)nc1O 1362687061 GNGPUVJANARLSP-LBPRGKRZSA-N 314.301 -0.330 30 20 DBED COC(=O)[C@](C)(CO)NS(=O)(=O)c1ccc(C#N)cc1F 1364008000 YXYPWSLLEBNSFT-LBPRGKRZSA-N 316.310 -0.100 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)NCc1nnc2n1CCOC2 1364855654 UIUKTNXMNVGAJH-VIFPVBQESA-N 314.371 -0.766 30 20 DBED CN(CCNS(C)(=O)=O)C(=O)NCC1(C#N)CCOCC1 1365447935 PXXNIGCATINBGX-UHFFFAOYSA-N 318.399 -0.503 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCN1CCN([C@@H](C)C(=O)N(C)C)CC1 1366853481 VMOXRLNQQIVQJT-KBPBESRZSA-N 323.441 -0.301 30 20 DBED CN(CCNC(=O)c1cc(C#N)c[nH]1)C(=O)C[C@@H]1CCC(=O)N1 1397894524 SIOVIOMLCRPECV-NSHDSACASA-N 317.349 -0.257 30 20 DBED CC[C@@H](CNC(=O)CCS(=O)(=O)NC)NC(=O)[C@@H](C)C#N 1409265726 BQROCECFZDNMMD-UWVGGRQHSA-N 318.399 -0.904 30 20 DBED C[C@H](CNC(=O)c1ccn2nnnc2c1)NC(=O)[C@H](C)C#N 1415230663 TWKUGAGTGHAYQV-RKDXNWHRSA-N 301.310 -0.482 30 20 DBED Cn1c(=O)ccn(CC(=O)NCc2ccc(C#N)c(F)c2)c1=O 1417556134 CTMWLZHQELRFLZ-UHFFFAOYSA-N 316.292 -0.126 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CN(C)C(=O)c1ncccc1F 1425867610 ZWJBAMWBHOJACB-ZJUUUORDSA-N 308.313 -0.071 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCN(C)C(=O)CCS(C)(=O)=O 1433182887 YFSHZLRMUIHODC-JTQLQIEISA-N 303.384 -0.502 30 20 DBED CCN(CCNC(=O)c1ccc2nnnn2c1)C(=O)[C@@H](C)C#N 1449450412 QLLKYUDNWSEQML-JTQLQIEISA-N 315.337 -0.138 30 20 DBED CC[C@@H](C)OCC(=O)NC[C@H](O)CNC(=O)c1c[nH]c(C#N)c1 1452331632 QDZNLBGHKZJZOW-MFKMUULPSA-N 322.365 -0.092 30 20 DBED CNC(=O)NCC(=O)NCCC1CCN(C(=O)[C@@H](C)C#N)CC1 1457152158 FUBCUJVCYKUJTJ-NSHDSACASA-N 323.397 -0.180 30 20 DBED Cc1ncc(C(=O)NC[C@H](O)CNC(=O)[C@@H](C)C#N)c(C)n1 1458028543 OUIWRVCCKBLSQT-GZMMTYOYSA-N 305.338 -0.540 30 20 DBED N#Cc1ccc(CNC[C@@H](O)CNC(=O)Cc2nc[nH]n2)s1 1497090256 CCKXDXGGNLIFBI-SECBINFHSA-N 320.378 -0.453 30 20 DBED N#Cc1nc(NC[C@H]2CCS(=O)(=O)C2)cnc1-c1nn[nH]n1 1570922474 JXWRNALLVQZSFW-SSDOTTSWSA-N 320.338 -0.625 30 20 DBED C=CCCOCC(=O)N1CC(N(C)C(=O)[C@H]2C[C@@H]2C(=O)O)C1 1573359909 AWYSFUYHVORYBH-RYUDHWBXSA-N 310.350 -0.031 30 20 DBED C=CCN(CC=C)C(=O)CN1CC(NC(=O)[C@@H]2C[C@H]2C(=O)O)C1 1573360365 MOTNMCNWVIQLOY-CHWSQXEVSA-N 321.377 -0.292 30 20 DBED C#Cc1cncc(C(=O)N2CCS(=O)(=O)C[C@H]2CC(=O)O)c1 1588529447 ZEBGVNBRIFLAHY-GFCCVEGCSA-N 322.342 -0.223 30 20 DBED N#Cc1cccc([C@@H](O)CN2CCS(=O)(=O)C[C@H]2C(=O)O)c1 1594626415 ZIBRJKNXXCYQGP-STQMWFEESA-N 324.358 -0.225 30 20 DBED CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)c1ccc(C#N)[nH]1)C(=O)O 1599764241 FETNAZTYQIZIOZ-JOYOIKCWSA-N 311.319 -0.496 30 20 DBED CN(CC(C)(C)C#N)c1[nH]c(=O)n(C)c(=O)c1-c1nn[nH]n1 1604712862 PIGGJDFJNFGKOX-UHFFFAOYSA-N 304.314 -0.760 30 20 DBED CN(C(=O)[C@H]1C[C@H]1C(=O)O)C1CN(C(=O)c2cc(C#N)c[nH]2)C1 1605956079 FVGYXQFFPZEQCO-WDEREUQCSA-N 316.317 -0.110 30 20 DBED N#Cc1csc(CNCCn2cnc(-c3nn[nH]n3)n2)n1 1609500938 LORWCHFLRCRJTM-UHFFFAOYSA-N 302.327 -0.424 30 20 DBED O=C1CCCN1C[C@@H](O)C/N=C1/NS(=O)(=O)c2ccccc21 1645535369 MZFHIYLRFBDMTJ-JTQLQIEISA-N 323.374 -0.292 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CCO[C@H]2CC)C1 1661330147 NGCFGSBCIYANAH-MJBXVCDLSA-N 307.394 -0.259 30 20 DBED C#CCN1CC[C@@](O)(CNC(=O)CNC(=O)CC(C)(C)C)C1 1754762262 MIGRHHSNXYZXGT-MRXNPFEDSA-N 309.410 -0.275 30 20 DBED C[C@@H](NCC#N)[C@H]1CCN(C(=O)COCc2nncn2C)C1 1754803134 KMKIOTHBJGAMHE-NEPJUHHUSA-N 306.370 -0.318 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)C(C)(C)CN1CCOCC1 1754968832 LZBGMOLURMPFBP-OAHLLOKOSA-N 323.437 -0.205 30 20 DBED CN1C(=O)CCC[C@H]1C(=O)NC1(CO)CCN(CC#N)CC1 1755181109 ONFXCHAVBKMIPU-LBPRGKRZSA-N 308.382 -0.536 30 20 DBED C=CCNC(=O)CN[C@@H](C)[C@@H](C)NC(=O)Cn1cc(C)cn1 1755226541 BUBXAQQCZFWDKX-QWHCGFSZSA-N 307.398 -0.023 30 20 DBED CC#CCN1CC([C@@H](C)NC(=O)CCS(=O)(=O)N(C)C)C1 1755392155 RUATZCKRWPAZID-GFCCVEGCSA-N 315.439 -0.272 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2cn(C)c(O)n2)[C@H]1C 1755659957 VUBSAGOWJJLEML-WDEREUQCSA-N 319.365 -0.932 30 20 DBED C=CCOCC(=O)N1CC(CCO)(NC(=O)c2ncccn2)C1 1756087882 RLRUDWDSFHQCDC-UHFFFAOYSA-N 320.349 -0.628 30 20 DBED C#CCNC(=O)CC(=O)N1CC([C@H](C)NC(=O)c2cc[nH]n2)C1 1756132926 VWLIGBSPIRMRSA-JTQLQIEISA-N 317.349 -0.874 30 20 DBED CC(C)C#CC(=O)N[C@H]1C[C@H](CNC(=O)Cn2ncnn2)C1 1756249137 IPZZNYYOCWCEOM-HAQNSBGRSA-N 304.354 -0.657 30 20 DBED C[C@H](C#N)C(=O)NCCOCCN(C)C(=O)c1cc(=O)n(C)o1 1756381956 UWCUCNOHBATLQV-SNVBAGLBSA-N 324.337 -0.657 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@H](C)CN(C)C(=O)CNC(=O)CC 1756439126 YCFRLUGNIGYVMO-ABAIWWIYSA-N 313.398 -0.197 30 20 DBED C#CCCCCC(=O)NC[C@@H](CO)NC(=O)c1cnn(C)n1 1756514107 RXKXJWIMGJETCS-NSHDSACASA-N 307.354 -0.784 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(C(=O)CCc2ncc[nH]2)C[C@@H]1O 1757171252 LQHFSDFSYVGKMT-OLZOCXBDSA-N 318.377 -0.310 30 20 DBED C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1ccncc1=O 1801259991 XOWLTGZUTNWMFI-CLLJXQQHSA-N 314.345 -0.485 30 20 DBED CN(CC(=O)N1CCCC1)c1c(C#N)c(=O)n(C)c(=O)n1C 22195481 HBTSTCHYHZXGKN-UHFFFAOYSA-N 305.338 -0.986 30 20 DBED CCNS(=O)(=O)[C@H]1CCN(CCC(=O)N(C)CCC#N)C1 92842739 GONIUULRKYKGGE-LBPRGKRZSA-N 316.427 -0.238 30 20 DBED C#CCOCCC(=O)N1CCN(CC(=O)N2CCCC2)CC1 159627191 PQVPKQMUVQLSKQ-UHFFFAOYSA-N 307.394 -0.207 30 20 DBED C=CCNC(=O)CNC(=O)CN1CCN(c2ccccn2)CC1 181708976 NHWPXBLRZNNTAC-UHFFFAOYSA-N 317.393 -0.378 30 20 DBED C=CCN1CC[C@@H](N(C)CCc2cn(CC(=O)OC)nn2)C1=O 281437226 SXKPOPMXSAIKHJ-CYBMUJFWSA-N 321.381 -0.288 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CCN(CC)CC2)C1=O 297958332 VAGYVRUNWRZTCF-ZDUSSCGKSA-N 322.409 -0.604 30 20 DBED CCN1CCC[C@@H]1CN/C(N)=N/CCN1CCN(C(C)=O)CC1 303878269 FWOYHBIQCLYUOV-OAHLLOKOSA-N 324.473 -0.461 30 20 DBED Cn1nncc1C/N=C(/O)N1CCN(C/C(O)=N/C2CC2)CC1 329280247 DNKQCAFKSRCUPF-UHFFFAOYSA-N 321.385 -0.034 30 20 DBED CC(C)N1CCN(/C(O)=N/[C@@H]2CS(=O)(=O)C[C@@H]2C)CC1=O 329653968 LMPQWNMZQYAMJS-WDEREUQCSA-N 317.411 -0.114 30 20 DBED CC1(C/N=C(/O)CN2CCN(S(C)(=O)=O)CC2)COC1 329907031 SQGNSLZFIYWNNG-UHFFFAOYSA-N 305.400 -0.443 30 20 DBED Cn1nnc(C/N=C(/O)N2CCN(C(=O)C(C)(C)C)CC2)n1 330324594 UEVOBWMBUBOAAP-UHFFFAOYSA-N 309.374 -0.186 30 20 DBED C[C@H](O)C(=O)N1CCN(C(=O)Nc2ccn(CCC#N)n2)CC1 330568723 NLPQZHSGYXCSQU-NSHDSACASA-N 320.353 -0.146 30 20 DBED CCC/N=C(/O)NC(=O)CN1CCN(Cc2ncc[nH]2)CC1 330769538 NAUSHRJIFIOOAY-UHFFFAOYSA-N 308.386 -0.033 30 20 DBED C[C@@H](O)CC/N=C(/O)NC1CCN(CC(=O)N(C)C)CC1 330778282 BJIAMPHQDNQLOL-LLVKDONJSA-N 300.403 -0.187 30 20 DBED C/N=C(/O)NC(=O)CCN1CCC[C@@H]1CS(=O)(=O)NC 331133854 CAOASRQVAHYGKF-SECBINFHSA-N 306.388 -0.950 30 20 DBED CC(C)OC(=O)[C@@H](C)CNS(=O)(=O)N1CCO[C@@H](C#N)C1 337106287 ZVNXSHZVBMKZMW-QWRGUYRKSA-N 319.383 -0.367 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CC[C@@](C)(C(N)=O)C1 337157660 QBWQWJFVHSASBG-CMPLNLGQSA-N 302.400 -0.090 30 20 DBED COC[C@H](NS(=O)(=O)N1CCO[C@H](C#N)C1)[C@@H]1CCCO1 337160091 SLQNVNGHCORSDG-WOPDTQHZSA-N 319.383 -0.761 30 20 DBED CCOc1ccc(C(=O)NCC(=O)NCC(=O)NCC#N)cc1 344144351 BOPGHPGYXKIHPF-UHFFFAOYSA-N 318.333 -0.429 30 20 DBED CN(C1CCC1)S(=O)(=O)CCCS(=O)(=O)NCC#N 349519064 HPPJCFAERVUADU-UHFFFAOYSA-N 309.413 -0.366 30 20 DBED COC(=O)c1cccc(CNC(=O)NCC(=O)NCC#N)c1 358277998 QINAJMRNVJVKEY-UHFFFAOYSA-N 304.306 -0.088 30 20 DBED N#C[C@@H]1COCCN1C(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O 408231404 HTYAKSDBFMJYFT-WOPDTQHZSA-N 305.334 -0.087 30 20 DBED N#Cc1ccc(S(=O)(=O)N2CCO[C@@H](C(N)=O)C2)s1 408402946 JURQMHNNUPEANZ-MRVPVSSYSA-N 301.349 -0.505 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N(C)CCC(=O)NC 430369110 IEXMSZFNHFCEOL-YPMHNXCESA-N 311.382 -0.322 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)c2cnc(C)[nH]2)CC1 490898076 HQVXPFJICOTDOQ-UHFFFAOYSA-N 303.366 -0.385 30 20 DBED CN(C)C[C@@](C)(C#N)NC(=O)Cn1nc2ccccn2c1=O 515575792 JCKRRGFKKDKVIV-CQSZACIVSA-N 302.338 -0.544 30 20 DBED Cc1cc(NC(=O)C(=O)N2CCNC(=O)[C@@H]2C)n(CCC#N)n1 525883072 RIKXKJNMSFKUPY-JTQLQIEISA-N 318.337 -0.609 30 20 DBED C[C@@H](C#N)CNC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cnn(C)c1 527452670 SJPIDPCLGQXWCU-TVYUQYBPSA-N 305.338 -0.406 30 20 DBED N#Cc1ccc(N2CCC[C@@H]2C(=O)N[C@@H](CO)C(N)=O)cc1 587313782 SRWFBEYIDBQMJD-QWHCGFSZSA-N 302.334 -0.511 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)NCc1nnn(C(C)(C)C)n1 594476333 MGSQUGUXKZVZNW-SECBINFHSA-N 315.403 -0.146 30 20 DBED CC(C)[C@@H](C#N)N1CCN(C(=O)C2=NN3CCCN=C3N2)CC1 597050330 VQKVESHGINRBKZ-GFCCVEGCSA-N 317.397 -0.343 30 20 DBED Cc1oc(C#N)cc1C(=O)NCCOCCS(N)(=O)=O 598736085 ZDDLQNOWNIASBC-UHFFFAOYSA-N 301.324 -0.505 30 20 DBED CC(C)C[C@H](C#N)NC(=O)C1CCN(S(N)(=O)=O)CC1 608825654 PXNDYVVUONUFGT-LLVKDONJSA-N 302.400 -0.044 30 20 DBED C#CCOCCC(=O)N1CCCC[C@H]1CNS(C)(=O)=O 755465979 WBXOSSADJHNIOG-LBPRGKRZSA-N 302.396 -0.043 30 20 DBED C#C[C@H](C)NC(=O)N(CC)CC(=O)N[C@@H]1CCS(=O)(=O)C1 812902003 CRZRTIAJXWMTJW-WDEREUQCSA-N 315.395 -0.657 30 20 DBED C=C[C@@H](O)C(=O)OCC(=O)N[C@@H](C(=O)NC)c1ccccc1 814545440 UCCKMKOUPZOPSP-DGCLKSJQSA-N 306.318 -0.320 30 20 DBED C=CCn1cc(CNC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)nn1 819607066 YIEYAXAJMKRELL-JTQLQIEISA-N 315.337 -0.144 30 20 DBED CN1C(=O)CC[C@H](NC(=O)NCc2ccc(C#N)cn2)C1=O 823623730 LYDOKWWIXAMRFN-NSHDSACASA-N 301.306 -0.100 30 20 DBED C#CCN1CCN(C(=O)c2oc(S(N)(=O)=O)cc2C)CC1 827519455 MXFSYARLFOQESH-UHFFFAOYSA-N 311.363 -0.374 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)CCCCOC)CC1 831560746 HCKCOOFBYBSROS-UHFFFAOYSA-N 317.411 -0.585 30 20 DBED C#C[C@@H](NC(=O)C(=O)Nc1cncc(OC)n1)[C@H]1CCCO1 845924001 ZJLQZDJJQKKJIU-NXEZZACHSA-N 304.306 -0.279 30 20 DBED CN(C(=O)COC(=O)[C@H]1CCCS1(=O)=O)C(C)(C)C#N 848857528 ANXREAIUJAESLL-SECBINFHSA-N 302.352 -0.133 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)Nc1cncc(OC)n1 862192581 GRWWTQCLCUGIGR-SNVBAGLBSA-N 306.322 -0.032 30 20 DBED C#CCN(C)CCCNC(=O)N1C[C@@](C)(CO)[C@@](C)(CO)C1 875623944 XXIVBFDJLGJISV-IYBDPMFKSA-N 311.426 -0.036 30 20 DBED C#CC1(O)CN(C(=O)C2CCN(S(=O)(=O)CC)CC2)C1 890520022 VYGFQNFSIGPKJA-UHFFFAOYSA-N 300.380 -0.745 30 20 DBED CN1CCOC[C@@H]1C(=O)N(C)[C@@H]1CCN(C(=O)C#CC2CC2)C1 937347556 NKAPSAIKZCKTSS-HUUCEWRRSA-N 319.405 -0.210 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)c3cnn(C)n3)C2)nc1 941556831 ZGXPMAAKHBNHNY-GFCCVEGCSA-N 324.344 -0.164 30 20 DBED C[C@@H](C#N)C(=O)N1CCCN(C(=O)[C@]2(C)CNC(=O)C2)CC1 941651445 SCLGGKBIUDMGCJ-NHYWBVRUSA-N 306.366 -0.267 30 20 DBED CN1C(=O)CC[C@@H]1C(=O)N[C@@H]1CCN(C(=O)C#CC2CC2)C1 942241503 SPKBKJJRCFKKJF-CHWSQXEVSA-N 303.362 -0.262 30 20 DBED CO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1NC(=O)c1c(C)cnn1C 945388464 WNGPIDRAEXIXMH-MVWJERBFSA-N 319.365 -0.156 30 20 DBED CC#CCN1CC[C@@H](NC(=O)Cn2c(O)nnc2O)C[C@@H]1C 947981502 WXNPTEYEJGIIHZ-WDEREUQCSA-N 307.354 -0.318 30 20 DBED C=CCCN1CC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C[C@@H]1C 948070178 NDSQAFJPWKJPHQ-NWDGAFQWSA-N 320.397 -0.078 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(NC(=O)[C@H]2CCCNC2=O)CC1 948099531 VCRPKXBYSNEILW-JQWIXIFHSA-N 306.366 -0.221 30 20 DBED CC#CCN1CCC2(CC1)CN(C(=O)c1nnn(C)n1)CCO2 949161917 GXDGJBPRTSXUTB-UHFFFAOYSA-N 318.381 -0.460 30 20 DBED Cc1nnc(O)c(C(=O)NC[C@@H]2CN(CC#N)C[C@H]2O)c1C 958313250 LVLMRHCWSUTMKN-GHMZBOCLSA-N 305.338 -0.655 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cnc3n2CCCC3)C1 958344144 GFVHDUNPIZJOKJ-GXTWGEPZSA-N 302.378 -0.125 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](NC(=O)c2c[nH]c(C(N)=O)c2)[C@H](C)C1 958380598 DSZOBRJTWYMBBD-KBVBSXBZSA-N 317.349 -0.150 30 20 DBED C=CCN1C[C@H](CNC(=O)c2c(C)nn(C)c2OC)[C@@H](O)C1 958450127 YJTSQEJADFOZHT-RYUDHWBXSA-N 308.382 -0.054 30 20 DBED CN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CN(C(=O)C(F)F)C[C@@H]1O 958799548 UVMVRFBZFNZUST-UWVGGRQHSA-N 312.276 -0.205 30 20 DBED Cc1cc(CC(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)n[nH]1 962206179 VDHKKNXPCZFKNB-FXAINCCUSA-N 305.338 -0.892 30 20 DBED Cc1ccc(=O)n(CC(=O)N[C@@H]2CN(CC#N)CC[C@H]2C)n1 968565402 FYYYHTJNXCABGV-DGCLKSJQSA-N 303.366 -0.098 30 20 DBED CC#CCN1CC[C@@H](C)[C@@H](NC(=O)CN2C(=O)CCC2=O)C1 968631980 LHDJPPCCBJTFSE-OLZOCXBDSA-N 305.378 -0.015 30 20 DBED C=C(C)CN1C[C@H]2CC[C@H]1CN2C(=O)CN1CCNC(=O)C1 971677478 HOZYCJYPQNHLSY-UONOGXRCSA-N 306.410 -0.331 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]1CN(C)C(=O)c1c[nH]c(C(N)=O)c1 977746610 XUZZZLWGBZKXFE-KOLCDFICSA-N 317.349 -0.054 30 20 DBED CNC(=O)c1cccc(C(=O)NCC2[C@@H]3CN(CC#N)C[C@@H]23)n1 979009395 TUXPDWKAAXPBQY-RYUDHWBXSA-N 313.361 -0.128 30 20 DBED C#CCN[C@@H]1CCC[C@@H](NC(=O)c2nccnc2C(N)=O)C1 981510267 OIFHKJPRVAYMJT-GHMZBOCLSA-N 301.350 -0.161 30 20 DBED C#CCN[C@H]1CCC[C@@H](NC(=O)c2cn(C)c(=O)nc2O)C1 981515736 AMKGKWSKYHGVLD-WDEREUQCSA-N 304.350 -0.250 30 20 DBED C=C(C)CN1CCCN(C(=O)[C@@H]2CCS(=O)(=O)N2)CC1 989689109 DQHXPLYYMGXQFQ-LBPRGKRZSA-N 301.412 -0.212 30 20 DBED C[C@H](C#N)C(=O)N1CC(N2C[C@@H](NC(=O)C3CCC3)CC2=O)C1 995477964 QGKVAGBOZIAZIS-PWSUYJOCSA-N 318.377 -0.126 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)[C@H]3CCNC3=O)C2)cc1 997336317 BWXUXSBCMXSTPN-AWEZNQCLSA-N 311.341 -0.255 30 20 DBED C#Cc1cncc(C(=O)NC2CN(C(=O)Cc3cc[nH]n3)C2)c1 999302102 HTEVIFGLWLPSIG-UHFFFAOYSA-N 309.329 -0.031 30 20 DBED C#CCN[C@H]1CCCN(C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1 1000175111 FKXCNJRVHOCFIQ-MELADBBJSA-N 307.394 -0.164 30 20 DBED COCCN1C[C@H](C(=O)N[C@@H]2CCCN(CC#N)C2)CC1=O 1007447518 HWUDLDOAENWVRL-CHWSQXEVSA-N 308.382 -0.415 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCN(C(=O)Cc3nc[nH]n3)C2)C1 1019365325 YVHWEXHZKZYPIU-JTQLQIEISA-N 302.338 -0.432 30 20 DBED O=C1N[C@H](C(=O)N2CC[C@H]3CN(C(=O)C#CC4CC4)C[C@H]32)CO1 1021518036 QJNLJLAAJOMESC-RWMBFGLXSA-N 317.345 -0.433 30 20 DBED C=CCN1CC[C@@H](N[C@H]2C[C@@H](NC(=O)c3cnnn3C)C2)C1=O 1022033616 ZGHSDENOYRGZBT-GRYCIOLGSA-N 318.381 -0.548 30 20 DBED C=CCN1CCC[C@@H]1CNC(=O)[C@H]1CCN(C)S1(=O)=O 1028196189 DNDIGYGUOQICRS-VXGBXAGGSA-N 301.412 -0.213 30 20 DBED C#CCN1CC[C@@H](CNC(=O)[C@H]2CN3CC4CC3(CO2)C4)C1 1028698613 OABKHMLPVIKUKS-UJEKJILKSA-N 303.406 -0.079 30 20 DBED C[C@H](c1nnnn1C)N1CC(CNC(=O)c2c[nH]c(C#N)c2)C1 1031623247 ZETCPBYNUZAROH-SECBINFHSA-N 314.353 -0.167 30 20 DBED C#CCN1CCO[C@H](CNC(=O)c2c(C)c[nH]c2CC(N)=O)C1 1035519984 LIZYUZIOVDBJEN-GFCCVEGCSA-N 318.377 -0.585 30 20 DBED C#CCN1CC[C@H]2CN(C(=O)CN3CC(=O)NC3=O)CC[C@H]21 1036843344 FDFIRIAEJXHIHO-NWDGAFQWSA-N 304.350 -0.906 30 20 DBED N#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CN1C(=O)CCC1=O 1039468077 SBJLFDJRDFLZKV-NEPJUHHUSA-N 304.350 -0.276 30 20 DBED O=C(C#CC1CC1)NC[C@]1(O)CCN(C(=O)C[C@H]2CCOC2)C1 1039680966 RAUYUXRKENGIQR-RHSMWYFYSA-N 320.389 -0.094 30 20 DBED C=C(C)CCC(=O)N1CC[C@](O)(CNC(=O)Cn2ncnn2)C1 1039798882 SJOHEKCMARTTNI-AWEZNQCLSA-N 322.369 -0.891 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)c2ccns2)C1 1040044507 HCTOEFFPMLRKBK-ZANVPECISA-N 308.363 -0.004 30 20 DBED C=CCO[C@H](C)C(=O)NC[C@@]1(O)CCN(C(=O)c2cn[nH]c2)C1 1040160080 ALPGRFIVWFFXOD-ABAIWWIYSA-N 322.365 -0.306 30 20 DBED C[C@@H]1CN(C(=O)C(N)=O)CC[C@@H]1CNc1cncc(C#N)n1 1040442283 OHCHDFTVMYDPSR-NXEZZACHSA-N 302.338 -0.270 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@](O)(CNC(=O)c2nnn(C)n2)C1 1040593463 GXKKWYSJKCLGNG-AWEZNQCLSA-N 322.369 -0.885 30 20 DBED C#CCCN1CC[C@]2(CCN(C(=O)C3CS(=O)(=O)C3)C2)C1 1041319319 BAGCCVOYKZAQSK-HNNXBMFYSA-N 310.419 -0.021 30 20 DBED C#CCN1CC[C@H]2CCN(C(=O)c3cnc(O)n(C)c3=O)C[C@H]21 1042181388 GOIUGBZQVCLAAT-WCQYABFASA-N 316.361 -0.345 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)c2ccoc2C)C1 1043032722 GZMWLXLFQNQMHM-UHFFFAOYSA-N 320.345 -0.069 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)c2ccoc2)C1 1043036651 QSTYSRFNQVAXKF-LLVKDONJSA-N 306.318 -0.379 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2ccoc2C)C1 1043042581 QVDRJARQBFNIDT-LBPRGKRZSA-N 320.345 -0.071 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)c3cncs3)C2)nn1 1043871443 CBFWGQTUIJXJMW-ZJUUUORDSA-N 316.346 -0.216 30 20 DBED COCC(C)(C)CC(=O)NCC1(O)CN(C(=O)[C@@H](C)C#N)C1 1043955472 LMVMTNOBZPXYMG-NSHDSACASA-N 311.382 -0.102 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)[C@H]2CCN(C)C2=O)C1 1045023085 XQEHHULUPMUWIQ-LLVKDONJSA-N 309.366 -0.880 30 20 DBED CCn1ccnc1C(=O)N1CC(O)(CNC(=O)[C@@H](C)C#N)C1 1045540546 ILHORIRCQLDPDX-JTQLQIEISA-N 305.338 -0.634 30 20 DBED N#Cc1c[nH]c(C(=O)N2C[C@@H]3CN([C@H]4CCNC4=O)C[C@@H]3C2)c1 1048749509 GYOWHBHWUYYWFO-SCRDCRAPSA-N 313.361 -0.221 30 20 DBED C#CCO[C@H](C)C(=O)N(C)[C@H]1CN(C(=O)C2(C)CC2)C[C@@H]1O 1048852613 QKIIYUVYDHTOQZ-AGIUHOORSA-N 308.378 -0.145 30 20 DBED Cc1nc(O)[nH]c1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)C#N)C1 1049402117 PIDSYYWGFKRIAN-JEZHCXPESA-N 321.337 -0.773 30 20 DBED CC#CCN1CC[C@H]2[C@H]1CCCN2C(=O)C[C@@H]1NC(=O)NC1=O 1049527457 QIXCVMCKBCLKQB-XQQFMLRXSA-N 318.377 -0.327 30 20 DBED CC#CCN1CCOC[C@@H]1CNC(=O)[C@H]1CCN(C)C(=O)C1 1050989906 YURGXQNZTAIFMW-KBPBESRZSA-N 307.394 -0.305 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)c1ccc(C(N)=O)nc1 1051268109 FZHIDOPQCAPQEX-LBPRGKRZSA-N 302.334 -0.756 30 20 DBED N#CCN1CCN([C@H]2CCN(C(=O)c3n[nH]cc3F)C2)CC1 1052079851 PBWPVOGBQWOEHZ-NSHDSACASA-N 306.345 -0.096 30 20 DBED C#CCCCC(=O)N1C[C@@H](C)[C@H](CNC(=O)c2nnn(C)n2)C1 1052483000 JSVCTRHLCVHFKA-VXGBXAGGSA-N 318.381 -0.162 30 20 DBED N#CCN1CC2(C1)CN(C(=O)c1cnc3n1CCOC3)CCO2 1053296132 COHSSTXZBWDMSY-UHFFFAOYSA-N 317.349 -0.536 30 20 DBED C=CCN1CC2(C1)CN(C(=O)Cn1ccccc1=O)CCO2 1053529328 VAPMNNZRXMXALL-UHFFFAOYSA-N 303.362 -0.053 30 20 DBED C#CCN1CC2(C1)CN(C(=O)[C@@H]1CN(CC)CCO1)CCO2 1053537775 MMAXNVYTZRVBNP-AWEZNQCLSA-N 307.394 -0.747 30 20 DBED N#Cc1cnc(N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)C(N)=O)c(F)c1 1055181192 JCSAYXJXWMSWDV-MIMYLULJSA-N 303.297 -0.196 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@](CO)(NC(=O)c2cn(C)nn2)C1 1055925075 QWLANZGRIZCPHF-IINYFYTJSA-N 320.353 -0.942 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@](CO)(NC(=O)c2ncccn2)C1 1056074908 PLZCWABAZMCIMS-ABAIWWIYSA-N 317.349 -0.280 30 20 DBED N#Cc1ccc(N2C[C@H]3[C@H](NC(=O)[C@H]4COCCO4)[C@H]3C2)nc1 1056135424 PIMBEYVPYUWWRN-COMQUAJESA-N 314.345 -0.081 30 20 DBED Cc1cc(C#N)nc(N2C[C@@H]3C(NC(=O)Cc4nc[nH]n4)[C@H]3C2)n1 1056298393 WKNHCOOYHOVHMQ-QWRGUYRKSA-N 324.348 -0.432 30 20 DBED N#Cc1cnccc1N1C[C@H]2[C@H](NC(=O)Cn3nccn3)[C@H]2C1 1056315967 NNXWTXNOLHMBIP-JYAVWHMHSA-N 309.333 -0.204 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)c1cc[n+]([O-])cc1 1057193524 IGPUDXOBYHMSLB-UHFFFAOYSA-N 323.349 -0.927 30 20 DBED CC(C)OCC(=O)NCCN(CCO)C(=O)c1c[nH]c(C#N)c1 1057391887 QTQQLUHBOXFHOT-UHFFFAOYSA-N 322.365 -0.138 30 20 DBED C=CCOCCCC(=O)NCCN(CCO)C(=O)c1ncc[nH]1 1057519247 NGMMIZGHKCFUKL-UHFFFAOYSA-N 324.381 -0.057 30 20 DBED C#CCO[C@H](C)C(=O)N(CCO)CCNC(=O)[C@@H]1CC1(F)F 1057582883 BPCHEFYEQZECAE-MNOVXSKESA-N 318.320 -0.383 30 20 DBED Cn1cc(C(=O)NC2CCN(c3ccc(C#N)nn3)CC2)nn1 1057865958 KJXRUODUOAFMPN-UHFFFAOYSA-N 312.337 -0.124 30 20 DBED N#Cc1cnc(N2CC[C@H](NC(=O)[C@@H]3CCCNC3=O)C2)cn1 1058467452 MIBCJRDXLGSTQL-CMPLNLGQSA-N 314.349 -0.431 30 20 DBED C#CCOCCC(=O)NCCN(CCO)C(=O)[C@H]1CC12CC2 1058943048 KLBXBFMZYALTQT-CYBMUJFWSA-N 308.378 -0.237 30 20 DBED N#Cc1nc(=N[C@@H]2CC[C@@H]3CN(C(=O)CC(N)=O)C[C@@H]32)cc[nH]1 1060524020 SZRGFFDQQGKTJK-OUAUKWLOSA-N 314.349 -0.706 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1COCCN1C(=O)[C@@]1(F)CCOC1 1061572741 CRDYCSBJNFPQMU-CZUORRHYSA-N 324.352 -0.128 30 20 DBED Cc1nn(C)cc1C(=O)N1CCOC[C@H]1CNC(=O)[C@H](C)C#N 1061845136 CWILFFXWFIRDQQ-ZYHUDNBSSA-N 319.365 -0.155 30 20 DBED C=CCCC(=O)N1CCOC[C@@H]1CNC(=O)[C@@]1(C)CCNC1=O 1061903701 IGEDLIJMWRYCJD-LRDDRELGSA-N 323.393 -0.178 30 20 DBED CN(C(=O)c1ncn(C)n1)[C@@H]1CCN(c2cncc(C#N)n2)C1 1062926709 KNHDOMIPEVRZBW-LLVKDONJSA-N 312.337 -0.172 30 20 DBED N#Cc1ccc(N2CCO[C@H](CNC(=O)c3cn[nH]c3)C2)nn1 1063609610 OKXIUKOSVYGXOS-GFCCVEGCSA-N 313.321 -0.293 30 20 DBED Cc1c(C(=O)N[C@@H]2[C@H]3C[C@H]2N(c2nccnc2C#N)C3)nnn1C 1064230393 ROWDWNSEXUGLMD-UFGOTCBOSA-N 324.348 -0.208 30 20 DBED COCCC(=O)N1CCO[C@@H](CNC(=O)c2ccc(C#N)[nH]2)C1 1064705316 HFWLTDUIGKNPSI-LBPRGKRZSA-N 320.349 -0.120 30 20 DBED C=CCO[C@H](C)C(=O)N1CCO[C@@H](CNC(=O)c2nc[nH]n2)C1 1065278480 KSECEHHUVOIJKV-MNOVXSKESA-N 323.353 -0.647 30 20 DBED N#Cc1nc(=NC[C@@H]2CN(C(=O)c3cc[nH]n3)CCO2)cc[nH]1 1066584306 ZXILBOLNAOFPPN-SNVBAGLBSA-N 313.321 -0.554 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)c2cn(C)nn2)CCOCC1 1070232342 HUXAQHTXBDNYDU-SNVBAGLBSA-N 320.353 -0.630 30 20 DBED C[C@@H](C#N)C(=O)N1Cc2ccc(CNC(=O)C(N)=O)cc2C1 1070327387 FKMNZXBKQMDACQ-VIFPVBQESA-N 300.318 -0.210 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)c2cc(C)[nH]n2)CC1 1070945170 ZTQASRYBEZXLRA-UHFFFAOYSA-N 303.366 -0.385 30 20 DBED N#CCN1CCNC(=O)CCN(C(=O)[C@@H]2C[C@]23CCOC3)CC1 1071014275 GWZBAHUYVTZLSQ-BBRMVZONSA-N 320.393 -0.413 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)c2cnc(O)n2C)C[C@@H]1C 1072502472 ZPTCBSWRSDGCHR-WDEREUQCSA-N 322.365 -0.095 30 20 DBED CCOCCC(=O)N1CCN(C2CN(C(=O)[C@H](C)C#N)C2)CC1 1073548939 DSLCLYFZKFZFCQ-CYBMUJFWSA-N 322.409 -0.072 30 20 DBED C[C@@H](CCNC(=O)[C@@H]1CCCN1C(N)=O)NC(=O)C#CC1CC1 1077195272 QJSFUWQWMYDQIC-AAEUAGOBSA-N 320.393 -0.046 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2cc(C(F)(F)F)n[nH]2)C1 1077838278 TYUKOHIIHJXERQ-HTQZYQBOSA-N 303.244 -0.273 30 20 DBED Cc1cc(C(=O)N[C@@H]2CN(CC#N)C[C@H]2O)c2cnn(C)c2n1 1077904343 WYUYCMZMTTVERH-CHWSQXEVSA-N 314.349 -0.425 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2cccc3nc(O)oc23)C1 1078296538 OEOIYKATXNNJCT-VXGBXAGGSA-N 301.302 -0.059 30 20 DBED C#CCN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)CCn1ncn(C)c1=O)C2 1079002189 HUOAQXBTSVKOBG-MGPQQGTHSA-N 317.393 -0.426 30 20 DBED C#CCN[C@H]1C[C@H]2CC[C@H]1N(C(=O)CN1C(=O)CN(C)C1=O)C2 1079102480 QGJIQCFEPAUPRA-FRRDWIJNSA-N 318.377 -0.517 30 20 DBED C=CCCOCC(=O)N1C[C@H](O)[C@H](CNC(=O)CSC)C1 1081231281 LHENURJZMPDTAX-NEPJUHHUSA-N 316.423 -0.122 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)c2cnsn2)C[C@@H]1O 1081441456 INPWKCPXTTWTDW-PWSUYJOCSA-N 322.390 -0.109 30 20 DBED C[C@@H]1CN(C(=O)[C@H]2CCc3nnnn3CC2)C[C@H]1NCC#N 1082754268 RNEZWNBDJUEELT-GRYCIOLGSA-N 303.370 -0.414 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CCCNC1=O 1083112267 UIAXECLEUGPZRZ-MELADBBJSA-N 305.378 -0.553 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)Cc2c(CC)nn(C)c2CC)C1 1083531779 HTSASTOXULYNOA-ZBFHGGJFSA-N 318.421 -0.118 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2Cc3ccccc3CO2)C1 1084012992 HYUYSANVJDPGCN-ILXRZTDVSA-N 301.346 -0.187 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H]1CCN1Cc1nnn(C)n1 1085823151 BDQGIYFDUOWJGA-XQQFMLRXSA-N 320.397 -0.166 30 20 DBED N#CCN[C@H]1CCCCCN(C(=O)Cn2c(O)nnc2O)C1 1088418501 QKNRUKCGZOGBQB-JTQLQIEISA-N 308.342 -0.426 30 20 DBED N#Cc1ccccc1CN1CC[C@H](NC(=O)C(N)=O)[C@@H](O)C1 1090534857 QQAYEFRUANQYOK-STQMWFEESA-N 302.334 -0.905 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(c2cccc(F)n2)C[C@@H]1O 1091150798 ZJMPOGLOERQXBH-NEPJUHHUSA-N 307.325 -0.074 30 20 DBED C[C@H](NC(N)=O)C(=O)N[C@H]1CCN(c2ccnc(C#N)n2)[C@@H]1C 1091963213 PAMFNBOPZSLBMH-AEJSXWLSSA-N 317.353 -0.512 30 20 DBED C#CCN1C[C@@H](C)[C@H](CNC(=O)c2cn(C)c(=O)n(C)c2=O)C1 1093017065 TYUNLBWUEIOSML-VXGBXAGGSA-N 318.377 -0.985 30 20 DBED N#Cc1cnc(N2C[C@H]3C(NC(=O)CCCC(N)=O)[C@@H]3C2)cn1 1093277936 HRLPTJIJLZKMEP-GHMZBOCLSA-N 314.349 -0.445 30 20 DBED N#Cc1cnc(NCCNC(=O)CN2C(=O)CCC2=O)cn1 1093625541 KRNZLONDFZVSGX-UHFFFAOYSA-N 302.294 -0.975 30 20 DBED Cc1cc(C#N)nc(NCCNC(=O)C(=O)NCC(F)F)n1 1093968627 ZGYBFCFPTYJUCJ-UHFFFAOYSA-N 312.280 -0.434 30 20 DBED CC(C)c1nnnn1CC(=O)NCCN=c1cc[nH]cc1C#N 1094170788 ZVPPFYCPXGNOJP-UHFFFAOYSA-N 314.353 -0.287 30 20 DBED COCC(=O)NCCC(=O)NCCNc1cnc(C#N)cn1 1094198084 JOLYMLZLXMIICZ-UHFFFAOYSA-N 306.326 -0.971 30 20 DBED N#Cc1ccc(NCCCNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)nc1 1094781257 TYQXZAKKANVWJN-NWDGAFQWSA-N 317.349 -0.096 30 20 DBED CC(=O)N(C)CC(=O)N1CC[C@H](N(C)c2nccnc2C#N)C1 1095108600 HCDLOMQVQCAUFQ-LBPRGKRZSA-N 316.365 -0.136 30 20 DBED CCc1nc(C#N)cc(N(C)CCCNC(=O)CNC(C)=O)n1 1095460509 PKRGLWGEBHQVIP-UHFFFAOYSA-N 318.381 -0.011 30 20 DBED C[C@@H](CC(=O)NCCCN(C)c1ccnc(C#N)n1)NC(N)=O 1095640402 OGJITBRVUKLFQL-JTQLQIEISA-N 319.369 -0.262 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCCN(c2ncc(F)cn2)C1 1096162275 GSMVZPBPPMJYND-GFCCVEGCSA-N 319.340 -0.160 30 20 DBED CC(=O)N(C)CC(=O)N[C@H]1CCN(c2cncc(C#N)n2)C1 1096329565 SFPSBCHXBLXOGB-NSHDSACASA-N 302.338 -0.479 30 20 DBED N#Cc1cncc(N2CC[C@H](NC(=O)CCc3nc[nH]n3)C2)n1 1096367852 UEPZYCDYYXUOPA-JTQLQIEISA-N 312.337 -0.206 30 20 DBED N#Cc1cncc(N[C@@H](CNC(=O)C2(C(N)=O)CC2)C2CC2)n1 1096795197 KUYKCKBMKDMSJB-NSHDSACASA-N 314.349 -0.080 30 20 DBED CC(=O)N[C@H](C)C(=O)N[C@H]1C[C@H](N=c2cc[nH]cc2C#N)C1 1096986646 GRKPLSSKBWIAFE-OASPWFOLSA-N 301.350 -0.041 30 20 DBED CC(=O)N[C@H](C)C(=O)N[C@H]1C[C@H](Nc2cnc(C#N)cn2)C1 1096987803 ZGFGYTOIJWEWGS-FBIMIBRVSA-N 302.338 -0.068 30 20 DBED C[C@@H](CCNC(=O)C[C@@H]1CCC(=O)N1)N=c1cc[nH]c(C#N)n1 1099299131 TXSIFCAZQMIDIJ-QWRGUYRKSA-N 316.365 -0.254 30 20 DBED N#CCNC(=O)CN1CC[C@H](NC(=O)CC2CCC2)[C@@H](O)C1 1099755767 RMZLXBZMKVBMIR-STQMWFEESA-N 308.382 -0.632 30 20 DBED C=CCCOCC(=O)N[C@H]1CCN(CC(=O)N(C)C)C[C@@H]1O 1100138351 HKSXCLVRTWHKCD-STQMWFEESA-N 313.398 -0.781 30 20 DBED N#CCNC(=O)CNC1CC(CNC(=O)Cc2cc[nH]n2)C1 1100215172 BKYOTHOYMJHASP-UHFFFAOYSA-N 304.354 -0.924 30 20 DBED C[C@H](C(=O)NCCN(C)c1ccnc(C#N)n1)[C@@H]1CCC(=O)N1 1100334264 WAAJHKBEFCKFQU-QWRGUYRKSA-N 316.365 -0.185 30 20 DBED N#Cc1cnc(N(CCNC(=O)CNC(N)=O)C2CC2)cn1 1101294024 MPKDRCHMBHAISN-UHFFFAOYSA-N 303.326 -0.898 30 20 DBED CN(CCNc1nccnc1C#N)C(=O)[C@H]1CCNC(=O)C1 1101548084 BYCBLOGXXCOKGO-JTQLQIEISA-N 302.338 -0.255 30 20 DBED CC(=O)N[C@@H](C)C(=O)N(C)[C@@H]1CCN(c2ccnc(C#N)n2)C1 1102668874 WGGYBYXUNXANHB-CMPLNLGQSA-N 316.365 -0.090 30 20 DBED C#CCNCC[C@@H]1CN(C(=O)c2nccnc2C(N)=O)C[C@H]1C 1104992142 STFGFHNZLMCCRE-VXGBXAGGSA-N 315.377 -0.104 30 20 DBED C#CCOCCC(=O)N1CC(n2cc(CNC[C@@H](C)O)nn2)C1 1105240271 GIOOIUOXPSPZCI-GFCCVEGCSA-N 321.381 -0.828 30 20 DBED Cc1nnccc1C(=O)N1CC(n2cc(CNCC#N)nn2)C1 1105276632 NANRVCCSMYIYMT-UHFFFAOYSA-N 312.337 -0.313 30 20 DBED C#CCNCc1cn(C2CN(C(=O)Cn3nccc3C)C2)nn1 1105334425 GYQGCZSBYRYUBB-UHFFFAOYSA-N 313.365 -0.411 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@H](O)CNc1cncc(C#N)n1 1105806295 UCAKHLLQXIZGIB-FZMZJTMJSA-N 305.338 -0.436 30 20 DBED Cc1[nH]nc(C(=O)NC[C@H](O)CN=c2cc[nH]cc2C#N)c1O 1105819719 JRKPUTSVEWRGLA-SNVBAGLBSA-N 316.321 -0.685 30 20 DBED C=CCCNC[C@@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@H]1C 1106517985 BPAJNHURQVTNCV-ZIAGYGMSSA-N 308.426 -0.322 30 20 DBED CNC(=O)C1(C(=O)NC/C=C\CNc2ccc(C#N)nn2)CC1 1107252950 TYEVFZIVDQODHC-IHWYPQMZSA-N 314.349 -0.041 30 20 DBED N#Cc1ccc(NC/C=C/CNC(=O)[C@H]2CNC(=O)N2)nn1 1107489372 DBTOYBSWUSROGF-TXXBHVLJSA-N 301.310 -0.886 30 20 DBED N#Cc1cnc(NC/C=C/CNC(=O)[C@H]2CNC(=O)N2)c(F)c1 1107493101 ZMRGXQKIZIRFPX-FMBMQGQPSA-N 318.312 -0.142 30 20 DBED C[C@@H](CNc1cncc(C#N)n1)NC(=O)[C@@H]1COCCN1C 1108320041 RQCDRZNRSDJRBR-JQWIXIFHSA-N 304.354 -0.405 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)[C@@H]2CN(C(C)=O)CCO2)C1 1108373249 SDYJRTBHOYPHAW-GOEBONIOSA-N 323.393 -0.926 30 20 DBED CNC(=O)NCCC(=O)N[C@H](C)CN(C)c1ccc(C#N)nn1 1108934962 NWEHKWDWFVQYMW-SNVBAGLBSA-N 319.369 -0.392 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cc1cc[nH]n1 1109102802 AVTMFKYSQBCCAI-RDBSUJKOSA-N 315.377 -0.577 30 20 DBED CN1C[C@H](C(=O)N(C)CCCNc2cnc(C#N)cn2)NC1=O 1109578779 PZYYULKLVWCYDM-LLVKDONJSA-N 317.353 -0.368 30 20 DBED N#Cc1c[nH]ccc1=NC1(CNC(=O)[C@@H]2CC[C@@H]2C(N)=O)CC1 1110299623 CICYBKYXNGTSRQ-NWDGAFQWSA-N 313.361 -0.053 30 20 DBED COCCC(=O)N1C[C@@H]2CCC[C@]2(CNCC(=O)NCC#N)C1 1112230451 BVXUKBAHGXYJQV-BBRMVZONSA-N 322.409 -0.119 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCN(c2ncccn2)C[C@H]1C 1112414879 NMRMXDSYWKVKQW-CHWSQXEVSA-N 315.377 -0.053 30 20 DBED C=CCOCC(=O)N1CCN(Cc2nnc3n2CCOC3)CC1 1112708352 BMOCDBURVFQDBX-UHFFFAOYSA-N 321.381 -0.345 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCN([C@@H](C)c2nnnn2C)CC1 1112814235 KUUNZUABVDOKPO-SMDDNHRTSA-N 308.386 -0.258 30 20 DBED C[C@H](N=c1cc[nH]c(C#N)n1)[C@H](C)NC(=O)CN1CCCC1=O 1112905970 UNEPNNQQGUIKNG-QWRGUYRKSA-N 316.365 -0.302 30 20 DBED CC[C@@H]1OCC[C@H]1C(=O)N1CCN(CC(=O)NCC#N)CC1 1113131630 HPDALPNNEHMMEJ-OLZOCXBDSA-N 308.382 -0.415 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)[C@@]2(F)CCOC2)CC1 1113257118 PSTJWUGGOZPVAL-SWLSCSKDSA-N 313.373 -0.050 30 20 DBED C=CCO[C@H](C)C(=O)N1CCN(Cc2nc(=O)n(C)[nH]2)CC1 1113710334 LDQXOFCQAJEECJ-LLVKDONJSA-N 309.370 -0.656 30 20 DBED Cc1[nH]nc(C(=O)NC2[C@H]3CN(CC(=O)NCC#N)C[C@H]23)c1C 1114061654 UWZKXYPIUCQBCA-QWRGUYRKSA-N 316.365 -0.674 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)c3nnn(C)c3C)[C@@H]2C1 1114090644 HUNLAALFFQHNGE-GHMZBOCLSA-N 318.381 -0.914 30 20 DBED Cc1cc(C(=O)N[C@H]2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]32)ncn1 1114143985 XZPSIVDFFMPVKV-YABSGUDNSA-N 314.349 -0.915 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3cc(OC)no3)[C@H]2C1 1114155405 LDNJNPYFUJSYSY-MSRIBSCDSA-N 320.349 -0.355 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)c3cncnc3)[C@H]2C1 1114163125 AXJBMPZMEJDPKM-DRZSPHRISA-N 315.377 -0.173 30 20 DBED C#CCCN1C[C@H]2[C@H](NC(=O)CCc3nnc(O)nc3O)[C@H]2C1 1114513756 ZINGHJKUTVVDKT-IWIIMEHWSA-N 317.349 -0.715 30 20 DBED CC#CCCCC(=O)NC1[C@@H]2CN(CC(=O)NC(=O)NC)C[C@@H]12 1114717963 FJNIHTDITHXJOQ-VXGBXAGGSA-N 320.393 -0.318 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)c3ccnnc3)[C@H]2C1 1114883276 VIZSFWPCRUHRPV-SCUASFONSA-N 313.361 -0.726 30 20 DBED CC#CCN1C[C@@H]2C(NC(=O)CNC(=O)c3ccccn3)[C@H]2C1 1115282161 JVGSMVKRFIBPFF-STQMWFEESA-N 312.373 -0.119 30 20 DBED C=C[C@H]1CCCCN1C(=O)C(=O)N1CCO[C@H](CNC(C)=O)C1 1117911725 FSASTXMYRPBMLE-UONOGXRCSA-N 323.393 -0.083 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N(C)C[C@H]2C[C@@H](O)C2)C1=O 1118826460 CAKBSOJAFFYLBU-FRRDWIJNSA-N 323.393 -0.539 30 20 DBED CC(C)(C)C(=O)C(=O)NC[C@@H](CO)N=c1cc[nH]cc1C#N 1121228489 INWRQRNXXQVWCR-NSHDSACASA-N 304.350 -0.121 30 20 DBED CC(C)(C)C(=O)C(=O)NC[C@H](CO)Nc1nccnc1C#N 1121229226 ULJJIYWXIAFTDT-SECBINFHSA-N 305.338 -0.148 30 20 DBED CS[C@@H](C)CC(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1 1121346119 LKRRXHGFWMIHKM-VHSXEESVSA-N 309.395 -0.199 30 20 DBED Cc1ncoc1C(=O)NC[C@H](CO)N=c1cc[nH]cc1C#N 1121432823 QEZQCSYQROHPIP-LLVKDONJSA-N 301.306 -0.126 30 20 DBED Cc1cc(=N[C@@H](CO)CNC(=O)c2cn(C)nn2)c(C#N)c[nH]1 1121433082 UIEWSQPSBDKOPU-LLVKDONJSA-N 315.337 -0.985 30 20 DBED C=CCn1c([C@H](C)CO)nnc1N1CCO[C@H](C(=O)NC)C1 1121682885 XICCVAOQPAMVTD-MNOVXSKESA-N 309.370 -0.489 30 20 DBED Cc1nc[nH]c1C(=O)NC[C@H](CO)Nc1ccc(C#N)nn1 1121723944 BEVPEYDCQUMZLH-SNVBAGLBSA-N 301.310 -0.417 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H](CO)Nc1cnc(C#N)cn1 1122034599 BSNPKRXQPMJSFV-JQWIXIFHSA-N 303.322 -0.724 30 20 DBED Cc1ncn(C)c1C(=O)NC[C@H](CO)N=c1cc[nH]cc1C#N 1122146391 BPOUFHKCGXWBTH-GFCCVEGCSA-N 314.349 -0.380 30 20 DBED COC1CC(C(=O)NC[C@@H](CO)N=c2cc(C)[nH]cc2C#N)C1 1122177375 SIPWDHMOVTVZEL-QRMWWUJWSA-N 318.377 -0.002 30 20 DBED N#Cc1c[nH]ccc1=N[C@H](CO)CNC(=O)[C@@]1(F)CCOC1 1122411503 QJTXBMYSLXPPQL-SMDDNHRTSA-N 308.313 -0.607 30 20 DBED C=C(C)Cn1c([C@H]2CC(=O)N(C)C2)nnc1N1CCNC(=O)C1 1122420962 IIZFWBGWTASJLW-NSHDSACASA-N 318.381 -0.264 30 20 DBED COC(=O)NCC(=O)N1CC[C@@H](N=c2cc[nH]c(C#N)n2)[C@H]1C 1122940073 BWAKIWHADUSXMM-NXEZZACHSA-N 318.337 -0.473 30 20 DBED CO[C@H](C)C(=O)N(C)C[C@H](O)CN(C)c1nc(C)cc(C#N)n1 1124958787 WQMVKLOKMNSIDH-YPMHNXCESA-N 321.381 -0.053 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCNCC(=O)NCCOCC 1126359873 FSNHWUULNVAQQH-CQSZACIVSA-N 301.387 -0.828 30 20 DBED C#CCO[C@@H](C)C(=O)NCCNC[C@@H](O)COCc1ccco1 1127052067 QQOAHAGKIQFBBQ-UONOGXRCSA-N 324.377 -0.099 30 20 DBED C#CCCNCc1cccc(N2CC[C@@H](NC(=O)C(N)=O)C2)n1 1128119405 VBKAMIMVMBVQJR-CYBMUJFWSA-N 315.377 -0.625 30 20 DBED C[C@@H](C(N)=O)N1CCn2ncc(CNC(=O)C#CC3CC3)c2C1 1128346639 AHHJWHCZTGSHAJ-NSHDSACASA-N 315.377 -0.398 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)CC(=O)N(C)C)C1 1129312730 MRSYMPAWHSWXNJ-NEPJUHHUSA-N 306.370 -0.716 30 20 DBED C=CCN[C@@H]1CN(C(=O)[C@H](C)NC(=O)CC)C[C@@H]1n1ccnn1 1129867675 WONGRUPHRNWKPH-XQQFMLRXSA-N 320.397 -0.280 30 20 DBED CC#CCN[C@@H]1CN(C(=O)CN(C)CCC)C[C@@H]1n1ccnn1 1130107167 HCRMVCFTRPYXSM-CABCVRRESA-N 318.425 -0.015 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)c1cnn(C)c1CC 1130775860 PMQJNXWICQQHCJ-LLVKDONJSA-N 307.398 -0.007 30 20 DBED COCCN1CCOC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](C)C#N)n1 1130835015 IPHBRIVMBTYESH-WDEREUQCSA-N 322.369 -0.400 30 20 DBED COC[C@@H](C)C(=O)N1CCC[C@@H](N2CCN(CC#N)CC2=O)C1 1131710548 WWMPYGJYYJOUMT-ZIAGYGMSSA-N 322.409 -0.072 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)CC(=O)NCC)CC[C@H]1C 1131985412 WTPJGNPJPQPLEC-OLZOCXBDSA-N 322.409 -0.769 30 20 DBED C#CCNC(=O)CN1C[C@H](NC(=O)Cc2cnc[nH]2)CC[C@@H]1C 1132322651 URWHCNBZOINURC-QWHCGFSZSA-N 317.393 -0.329 30 20 DBED C[C@@H]1CC[C@H](NC(=O)Cn2ccnc2)CN1CC(=O)NCC#N 1132533230 KKBKOGNTOPWQCN-OLZOCXBDSA-N 318.381 -0.508 30 20 DBED C=CCN(CC=C)C(=O)CN[C@@H](C)C[C@@H](C)NC(=O)CC(N)=O 1133985129 WMWHGPUFESTVFP-QWHCGFSZSA-N 324.425 -0.065 30 20 DBED COCC#CCN[C@@H](C)C[C@@H](C)NC(=O)C1CN(C(C)=O)C1 1134240134 MMRQLVORXDOVHJ-QWHCGFSZSA-N 309.410 -0.013 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1nccn2cc(C)nc12 1146995020 QFUVHCRZOHTILF-UHFFFAOYSA-N 316.365 -0.341 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1cncnc1C1CC1 1149531061 RDQHQMOERXDZEU-LLVKDONJSA-N 315.377 -0.189 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)c1ccc(O)nn1 1154394855 QIPOPYZJBIGKJY-JTQLQIEISA-N 307.354 -0.418 30 20 DBED C#CCO[C@@H](C)C(=O)NCCCNCc1nc(COC)no1 1157870166 XXSJOPKYJZXBQM-NSHDSACASA-N 310.354 -0.150 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@H]1CC(=O)N[C@@H](CC)C1 1163073638 NMCMLZXTGHTRRE-OLZOCXBDSA-N 324.425 -0.311 30 20 DBED C#CCNC(=O)CNCC1(CCNC(=O)Cn2cccn2)CC1 1163439893 ADCVFTLGFKYMSD-UHFFFAOYSA-N 317.393 -0.491 30 20 DBED CC#CCNCC1(CCNC(=O)[C@@H](C)NS(C)(=O)=O)CC1 1167328364 AUDBAJHMXJUPJB-GFCCVEGCSA-N 315.439 -0.177 30 20 DBED CC#CCNCCCC[C@@H](C)NC(=O)CNC(=O)CNC(C)=O 1171577337 QSWZJZWATOUWOH-CYBMUJFWSA-N 324.425 -0.473 30 20 DBED Cc1cc(C(=O)NCCCNCC(=O)NCC#N)c(C)n1C 1175659330 LGRPNWHSTAOBOJ-UHFFFAOYSA-N 305.382 -0.009 30 20 DBED N#CCNCCCCCCNC(=O)[C@H]1CCS(=O)(=O)N1 1180289995 UTGAEPLPWBTOIJ-LLVKDONJSA-N 302.400 -0.532 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@@H](NCC(=O)N2CCCC2)C1 1182473290 PBPVEGDFHVDDHN-UONOGXRCSA-N 307.394 -0.162 30 20 DBED CC#CCNCc1cn([C@@H]2CCCN(C(=O)CC(N)=O)C2)nn1 1185898791 GIGAXLYVXMZGFV-CYBMUJFWSA-N 318.381 -0.570 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2cncc(OC)n2)C1 1186097705 VWATXEFSJPRZHC-LLVKDONJSA-N 317.349 -0.961 30 20 DBED N#CCNC(=O)CN[C@@H]1CCN(C(=O)COc2cccnc2)C1 1186355548 GEIDMOLFDKAFDN-GFCCVEGCSA-N 317.349 -0.709 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H]2CCN(C(=O)CNC(C)=O)[C@@H]2C1 1186706193 WVBBKGOHEKSHST-FPMFFAJLSA-N 322.409 -0.654 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)c2nn(CC)nc2C)C1 1188438684 SHOGLEYXWMKTPH-GFCCVEGCSA-N 320.397 -0.287 30 20 DBED CC#CCN(C)[C@@H]1CCN(C(=O)CNS(=O)(=O)CC)C1 1190463235 QKISIOCBCUYLJX-GFCCVEGCSA-N 301.412 -0.518 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)c2ccco2)C1 1190676512 RBFCMGRPFBNSJA-QJPTWQEYSA-N 307.350 -0.255 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)c2cscn2)C1 1191688257 WDVVWMAGNMRJMY-HOSYDEDBSA-N 324.406 -0.391 30 20 DBED C#CCNC(=O)[C@H](C)N1CCCN(C(=O)c2cn[nH]c2)CC1 1194945328 KACZILHNHNZFFJ-LBPRGKRZSA-N 303.366 -0.305 30 20 DBED C=CCN1CC[C@H](N2C[C@@H](O)[C@H](NC(=O)CCCF)C2)C1=O 1195374087 OBABBRXTXURJQT-FRRDWIJNSA-N 313.373 -0.316 30 20 DBED C#CCCN1CCCN(C(=O)[C@H](C)NS(=O)(=O)CC)CC1 1195926179 LNEASBBQXAFXDS-ZDUSSCGKSA-N 315.439 -0.128 30 20 DBED COCC#CCN1CCCN(C(=O)C[C@H]2CCNC2=O)CC1 1196155006 IXFWOTLFJXLQHF-CQSZACIVSA-N 307.394 -0.303 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN([C@@H](C)c2nnnn2C)C[C@H]1O 1199292700 QRYLCWIWFBILSK-QJPTWQEYSA-N 324.385 -0.975 30 20 DBED C[C@H]1CC(=O)N[C@@H](C(=O)N2CCCO[C@H](CNCC#N)C2)C1 1200528437 KVCOQOFYBRJIAB-JHJVBQTASA-N 308.382 -0.368 30 20 DBED C=CCNC[C@H]1CN(C(=O)[C@@H](C)N2C(=O)CCC2=O)CCCO1 1200635144 RYBBZVHJPWKHKT-OLZOCXBDSA-N 323.393 -0.083 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)[C@H]2CCCNC2=O)CC1 1201149929 PFVQJFGAQPMNGU-ZDUSSCGKSA-N 322.409 -0.605 30 20 DBED CC#CCN[C@H]1C[C@H](NC(=O)CN2CCOCC2=O)C12CCC2 1203036003 IWFSXSPVRUUWSQ-KBPBESRZSA-N 319.405 -0.115 30 20 DBED C#CCCN1C[C@@H](NC(=O)[C@@H](C)NS(C)(=O)=O)[C@H](C)C1 1208914206 UAEAIMSOIDLZRN-IJLUTSLNSA-N 301.412 -0.616 30 20 DBED C=CCOCCN[C@H]1CCCN(C(=O)CN2C(=O)CNC2=O)C1 1210975444 OMPLJGLVBXAPFF-LBPRGKRZSA-N 324.381 -0.679 30 20 DBED CCN(C)C(=O)CN1C[C@@H](NC(=O)C#CC2CC2)[C@H](OC)C1 1212244072 CNMAYTXFBSFHBD-ZIAGYGMSSA-N 307.394 -0.307 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)CCOC(C)C)C[C@H]1C 1214171525 SMLLZDOTHCWAOA-ZIAGYGMSSA-N 309.410 -0.013 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1C 1215989956 PKJUUTMLTHTAQW-OUAUKWLOSA-N 306.370 -0.455 30 20 DBED CC(C)Cn1ncnc1CN1C[C@H](O)[C@H](NC(=O)[C@@H](C)C#N)C1 1219378818 GHGOCDGGOOJHNC-XQQFMLRXSA-N 320.397 -0.245 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)c2cnnc(C)c2)C1 1219512939 GUHXWDDIPAACCE-KGLIPLIRSA-N 306.366 -0.237 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C2(CC#C)CCC2)C1 1219784238 UOQWXCCRDWCEHQ-KGLIPLIRSA-N 317.389 -0.909 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)COCc2ccnn2C)C1 1219864024 GRAPSIZKELHRNC-KGLIPLIRSA-N 306.366 -0.879 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C2(CCF)CC2)C1 1220057084 SZIWAIGMZRFNMU-NEPJUHHUSA-N 311.357 -0.963 30 20 DBED C=C(C)C(C)(C)C(=O)N[C@@H]1CN([C@H]2CCC(=O)NC2=O)C[C@@H]1O 1220134022 WCCHXTBGUJPJOO-WOPDTQHZSA-N 323.393 -0.445 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)N[C@@H]1CN(CC2CC2)C[C@@H]1O 1221090056 XVHAUIUGVNQDEK-OLZOCXBDSA-N 324.425 -0.179 30 20 DBED N#CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3ccns3)[C@@H]2C1 1221582992 AMNLXWLWYWHZEF-GHMZBOCLSA-N 319.390 -0.071 30 20 DBED Cc1nnsc1C(=O)NC1CCN(CC(=O)NCC#N)CC1 1225980514 QNRNYEXHCWORSM-UHFFFAOYSA-N 322.394 -0.320 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC(NC(=O)[C@@H](C)CC(N)=O)CC1 1228589242 PMSLHNGIRMYXGV-NWDGAFQWSA-N 322.409 -0.784 30 20 DBED C=C(C)CCN1CCC(NC(=O)C[C@H](NC(C)=O)C(N)=O)CC1 1229493763 OQCORCNYSZSYDR-AWEZNQCLSA-N 324.425 -0.087 30 20 DBED COCC#CCN[C@@H]1CCCC[C@H]1NC(=O)Cn1cncn1 1230072140 ZVBOAGOIFAQTCC-ZIAGYGMSSA-N 305.382 -0.055 30 20 DBED C#CCN1CCS(=O)(=O)[C@@H](CCNC(=O)Cc2cc[nH]n2)C1 1230439314 OVFUSDNVVAHKSC-ZDUSSCGKSA-N 324.406 -0.809 30 20 DBED CC(C)(C)OC(=O)CCNC(=O)C(=O)N1CCO[C@@H](C#N)C1 1259061151 VTKQQQZZQABZPC-JTQLQIEISA-N 311.338 -0.415 30 20 DBED C#CCOCCNC(=O)C(=O)N1CC[C@@H](c2nccn2C)C1 1260309111 DQUCQILKMPGBDX-GFCCVEGCSA-N 304.350 -0.498 30 20 DBED C#CCC[C@H](O)CNS(=O)(=O)C[C@@H]1CCCS(=O)(=O)C1 1261580091 IWONKABGQDBKBZ-NEPJUHHUSA-N 323.436 -0.495 30 20 DBED C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)Nc1cnn(CC#N)c1 1319439338 NUYHCABYGIZVOR-MFKMUULPSA-N 316.365 -0.056 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)NCCOC[C@@H]2CCCO2)CCO1 1321976991 VWFPIMNDRVXFPS-NWDGAFQWSA-N 311.338 -0.951 30 20 DBED C=CCCOCCNC(=O)C(=O)N1CC[C@@H](N2CCCC2=O)C1 1323665607 ZFAXILNRCBCQJD-CYBMUJFWSA-N 323.393 -0.081 30 20 DBED C#C[C@@H](NC(=O)C(=O)N1CC(c2nc(C)no2)C1)[C@@H]1CCCO1 1323819227 HSKFEXSIXWDBGT-NEPJUHHUSA-N 318.333 -0.399 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)NCCCO[C@H]1CCOC1 1324211976 VHDMIMFVFFYBHJ-RYUDHWBXSA-N 300.355 -0.385 30 20 DBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(C)C(=O)[C@@H]1C 1324401825 AQMMHAXNNBPHFB-AVGNSLFASA-N 323.393 -0.227 30 20 DBED COC(=O)N(C)CCNC(=O)C(=O)N1CCC[C@@](C)(C#N)C1 1330200624 CTAXVSXOXLNBTO-AWEZNQCLSA-N 310.354 -0.047 30 20 DBED C#CCN1CCC[C@@H](NCC2(O)CCS(=O)(=O)CC2)C1 1334805103 DMSUUABXRZWVHJ-CYBMUJFWSA-N 300.424 -0.387 30 20 DBED C=CCn1c([C@@H]2CC(=O)N(C)C2)nnc1N1CCCNC(=O)C1 1338789367 PTWHIQVRGAOGSV-LLVKDONJSA-N 318.381 -0.264 30 20 DBED C=CCn1c(N2CC[C@H](NC(C)=O)C2)nnc1[C@@]1(O)CCOC1 1340623295 CTFMQFOTTGQWCG-SWLSCSKDSA-N 321.381 -0.213 30 20 DBED Cc1ccc(C(=O)NCC(=O)NCC#N)cc1NS(C)(=O)=O 1341883702 WZZJIHQFVRPGQD-UHFFFAOYSA-N 324.362 -0.264 30 20 DBED C=C[C@H]1CCCCN1C(=O)C(=O)NCCS(=O)(=O)NCC 1341955976 WDUMDMOTWSZCAM-NSHDSACASA-N 317.411 -0.391 30 20 DBED CNC(=O)[C@H]1CCC[C@@H]1NC(=O)C(=O)N1CCC(C#N)CC1 1343048709 DKULYRMQXXBDHK-RYUDHWBXSA-N 306.366 -0.221 30 20 DBED C#C[C@@H](NC(=O)C(=O)N1CC(OCCOC)C1)[C@H]1CCCO1 1343079243 HFNMJKLRSLCJJY-CHWSQXEVSA-N 310.350 -0.843 30 20 DBED C=C(C)Cn1c(CO)nnc1N1CCO[C@H](CNC(C)=O)C1 1343603846 USWKTMOZFMFJBP-GFCCVEGCSA-N 309.370 -0.312 30 20 DBED C#CCN(C)c1nnc(CC[C@]2(C)NC(=O)NC2=O)n1CC 1352245683 ARVBVLNHSXTEPO-AWEZNQCLSA-N 304.354 -0.102 30 20 DBED C#CCOCCn1nnnc1N1CCC[C@H](Cn2ccnn2)C1 1352528935 UDLJBAVHSHKPLL-ZDUSSCGKSA-N 316.369 -0.169 30 20 DBED CCC(=O)N1CCCN(c2[nH]c(=O)n(C)c(=O)c2C#N)CC1 1364538602 NRBVKDVLHVSKAE-UHFFFAOYSA-N 305.338 -0.606 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(C(N)=O)[nH]2)C1 1373200649 OCMOXIDUKXWCRJ-ZJUUUORDSA-N 317.349 -0.148 30 20 DBED C[C@@H](CNC(=O)[C@H](C)C#N)NC(=O)CCC(=O)N1CCOCC1 1387085082 KAFQQVNZERCXNS-NEPJUHHUSA-N 324.381 -0.594 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNCC(=O)N(C)CC(F)(F)F 1392362639 HUGFZWKQZDKBQK-BDAKNGLRSA-N 324.303 -0.767 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@@H](O)CNCC2CCOCC2)c1 1392364989 MBMALHQDDUKOPD-ZDUSSCGKSA-N 306.366 -0.007 30 20 DBED C[C@@H](CN(C)C(=O)c1cc(C#N)c[nH]1)NC(=O)c1ncn(C)n1 1395553475 LLQHVIKYHVSQCJ-VIFPVBQESA-N 315.337 -0.095 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)C1(NC(N)=O)CC1 1407717795 NBRHSEBKPKGPOL-MXWKQRLJSA-N 319.365 -0.451 30 20 DBED C[C@H](O)[C@@H]1CCCCN1C(=O)Cn1cc(C#N)c(O)nc1=O 1411968845 USOBKIRDOUOCIX-ONGXEEELSA-N 306.322 -0.418 30 20 DBED N#Cc1ncn(CC(=O)N2CCC(NC3CCOCC3)CC2)n1 1412500542 JGGVVRNPLZWFLS-UHFFFAOYSA-N 318.381 -0.091 30 20 DBED CC(C)(C#N)CS(=O)(=O)N1CCN(Cc2nc[nH]n2)CC1 1413391530 REGAHWPHMYVQOV-UHFFFAOYSA-N 312.399 -0.198 30 20 DBED Cc1ccn(CC(=O)N(C)CCNC(=O)[C@@H](C)C#N)c(=O)c1 1415598011 LGPRKOMNPHTCTA-LBPRGKRZSA-N 304.350 -0.109 30 20 DBED C=C(Cl)CN1CC[C@H](CNC(=O)CS(=O)(=O)NC)C1 1418700152 RASOZQBYDSNEPK-SNVBAGLBSA-N 309.819 -0.274 30 20 DBED C=C(Cl)CNC[C@@H]1CN(C(=O)Cn2cnnn2)CCO1 1421786952 OUDUODWDONCDFH-SNVBAGLBSA-N 300.750 -0.757 30 20 DBED C[C@@H](C#N)C(=O)NCCN1CCN(C(=O)c2cnsn2)CC1 1427705088 VSDVPRMTAQTQEU-JTQLQIEISA-N 322.394 -0.428 30 20 DBED CNC(=O)CCCC(=O)N1CC(NC(=O)c2cc(C#N)c[nH]2)C1 1430169211 NNGXOUYCFATZRT-UHFFFAOYSA-N 317.349 -0.257 30 20 DBED C[C@@H](C#N)C(=O)NC1CN(C(=O)[C@@H]2CCc3cncn3C2)C1 1430286842 DCMUJBRHDHEQKZ-WDEREUQCSA-N 301.350 -0.068 30 20 DBED N#Cc1ccc(OCC(=O)NC[C@H](O)Cn2ccnn2)cc1 1434053679 ANYDDAXESXJLRA-LBPRGKRZSA-N 301.306 -0.294 30 20 DBED N#CCCn1ccc(NC(=O)N2CC[C@@H](S(N)(=O)=O)C2)n1 1434704698 COUYQUCAUORWBB-SECBINFHSA-N 312.355 -0.309 30 20 DBED C[C@H](CN(C)C(=O)c1ncn(C)n1)NC(=O)c1c[nH]c(C#N)c1 1443789997 GZOSJHWNXNYIBY-SECBINFHSA-N 315.337 -0.095 30 20 DBED Cc1cc(=O)oc(C)c1C(=O)NC[C@@H](O)CNC(=O)[C@@H](C)C#N 1458016800 DJQIKQCVJQJINC-ONGXEEELSA-N 321.333 -0.377 30 20 DBED CS(=O)(=O)NCCN1CCC[C@@H](NC(=O)C#CC2CC2)C1 1479903156 KJWMDSJPDYGSDA-CYBMUJFWSA-N 313.423 -0.470 30 20 DBED CCOCC(=O)NC[C@]1(O)CCN(C(=O)c2ccc(C#N)[nH]2)C1 1506778905 TYRCJWZFCBFKNF-OAHLLOKOSA-N 320.349 -0.384 30 20 DBED C=CCn1c(N(C)Cc2cn(C)nn2)nnc1[C@]1(O)CCOC1 1520627980 PLBFDJTVSFWPIN-AWEZNQCLSA-N 319.369 -0.163 30 20 DBED CON=CC(=O)N[C@H]1CC(=O)N(C2CC2)[C@H]1c1ccnn1C 1548529996 HDLLMACROZRVBA-IINYFYTJSA-N 305.338 -0.027 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3C[C@H]3C(=O)O)C2)[nH]1 1571129074 WTMOFXUGQILSJX-XWLWVQCSSA-N 316.317 -0.016 30 20 DBED C#Cc1cncc(C(=O)N(C)C[C@H](C)NC(=O)CNC(=O)O)c1 1573313858 SBTYGCVLBUIDBB-JTQLQIEISA-N 318.333 -0.093 30 20 DBED C#CCN(Cc1cnn[nH]1)C(=O)CC[C@H]1CC[C@@H](C(N)=O)O1 1574928358 KKNVHGODPUPDHV-NEPJUHHUSA-N 305.338 -0.420 30 20 DBED C=CCCn1cc(C(=O)N[C@H](CC2OCCO2)C(=O)O)nn1 1588817286 GVXSNMIOOSBIJX-SECBINFHSA-N 310.310 -0.200 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCNc1nccnc1-c1nn[nH]n1 1588926695 QSAOBFNUXUXPKZ-QMMMGPOBSA-N 301.314 -0.313 30 20 DBED CCn1cc(CC(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[nH]2)cn1 1590954465 SDKKVABJGJPJIO-UHFFFAOYSA-N 312.297 -0.141 30 20 DBED CN(CCNC(=O)CCN/C(O)=C1/N=CC=CC1=O)CC(=O)O 1598491370 XMZRQYCTZWEBLR-YPKPFQOOSA-N 324.337 -0.965 30 20 DBED O=C(O)CN1CCN(C(=O)c2cccc(C#CCO)c2)CC1 1602062662 WWLRNYIZSUSNQD-UHFFFAOYSA-N 302.330 -0.127 30 20 DBED C=CCN(CC=C)C(=O)C(=O)N1C[C@@H](C(=O)O)[C@H](C(=O)OC)C1 1602887722 KYCCQTGHXXHDMQ-GHMZBOCLSA-N 324.333 -0.481 30 20 DBED N#C[C@]1(F)CCN(C(=O)C(=O)Nc2ccn(CC(=O)O)n2)C1 1605582775 FDSCKQYJLLJOJR-GFCCVEGCSA-N 309.257 -0.630 30 20 DBED Cn1c(N2C[C@@H]3CCC[C@H]3[C@H]2C(=O)O)c(C#N)c(=O)n(C)c1=O 1610598229 DWLRVEUIMCHAID-NGZCFLSTSA-N 318.333 -0.355 30 20 DBED Cn1ncc2cc(S(=O)(=O)N3CCOC[C@H]3C#N)cnc21 1645694852 NAHGNWIGXBKWSO-SNVBAGLBSA-N 307.335 -0.119 30 20 DBED CN(CCNC(=O)c1nc2ncccn2n1)c1nccnc1C#N 1654212771 ULUUWOPQTOONJN-UHFFFAOYSA-N 323.320 -0.348 30 20 DBED CC(C)[C@@H](C(=O)N(C)CCN(C)CC(=O)NCC#N)N(C)C 1715994961 HIFVZIOBVQCPHP-AWEZNQCLSA-N 311.430 -0.397 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C[C@H]1CN2C(=O)c1n[nH]cc1C 1753419688 FOLSLRLEQNETGN-RYUDHWBXSA-N 301.350 -0.634 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)N(C)[C@@H]1CCN(CC(N)=O)C1 1753445464 MPIXZKDRLBBWTC-CHWSQXEVSA-N 310.398 -0.525 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNCCN2C(=O)CNC2=O)CCCC1 1753500783 CQPANEZUGHEDJQ-NSHDSACASA-N 321.381 -0.284 30 20 DBED CC(=O)N[C@@H](CC(=O)N1CCC(CCNCC#N)CC1)C(N)=O 1753575787 NIMRLLBPAWSKDQ-ZDUSSCGKSA-N 323.397 -0.892 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)CCN(C)C(=O)CNC(=O)CC 1753850436 XNAIKHABUHHVRV-GFCCVEGCSA-N 310.398 -0.959 30 20 DBED C#CCNC(=O)[C@@H](C)NC/C=C\CNC(=O)Cc1cc(C)on1 1754102256 BMIIEGWEZDTJMN-CFHLNLSMSA-N 318.377 -0.075 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCCN[C@H](C)C(=O)NC(=O)NC1CC1 1754362804 GLZOPIJBBZNZOW-WDEREUQCSA-N 323.397 -0.039 30 20 DBED C#CCNC(=O)CN1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1ccn(C)c1C 1754428830 YZRHUDRBYMMWDC-IVMMDQJWSA-N 314.389 -0.115 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@@H]1CNC(=O)c1ccnn1CC 1754480491 IEPQGHUDIDWZSH-QWHCGFSZSA-N 317.393 -0.155 30 20 DBED N#CCNC(=O)CN1[C@H]2CCC[C@H]1CN(C(=O)[C@@H]1CCOC1)C2 1754550019 CSIKNUMXFJCTGG-RDBSUJKOSA-N 320.393 -0.272 30 20 DBED C=C(C)CCN1CC[C@](O)(CNC(=O)c2ccc(=O)n(C)n2)C1 1754759879 LWZNKYDVUDZZEI-INIZCTEOSA-N 320.393 -0.087 30 20 DBED Cc1ccc(NC(=O)C(=O)NCC2(O)CN(CC#N)C2)cc1 1754776512 CVBZWWGFPYTYOK-UHFFFAOYSA-N 302.334 -0.380 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)[C@H](CC)NC(C)=O)CO2)C1 1755063661 NCUCDFNUDHYPGW-KGLIPLIRSA-N 307.394 -0.116 30 20 DBED C#CCCN[C@@]1(CO)CCCN(C(=O)C(C)(C)NC(C)=O)C1 1755090167 GZOCGKIPVXTBOM-INIZCTEOSA-N 309.410 -0.133 30 20 DBED C=CCNC(=O)CNC1(C)CCN(C(=O)CN(C)C(C)=O)CC1 1755125708 DARQADRXHXFGFV-UHFFFAOYSA-N 324.425 -0.262 30 20 DBED CC1(NCC#N)CCN(C(=O)[C@H]2CCS(=O)(=O)N2)CC1 1755135150 ZLAWCRHFRQRXMC-SNVBAGLBSA-N 300.384 -0.828 30 20 DBED C#CCNC(=O)CN(C)C[C@@H]1CCCN1C(=O)CN(C)C(C)C 1755203110 QULWICOEXVGEFC-HNNXBMFYSA-N 322.453 -0.001 30 20 DBED CC#CCN1CC(CCO)(NC(=O)C[C@@H]2CCC(=O)NC2)C1 1755332666 HSJJBBFMAOLNPH-ZDUSSCGKSA-N 307.394 -0.521 30 20 DBED C#CCN1C[C@H]2CC[C@H]1CN2C(=O)COCc1nncn1C 1755397976 AXXRPGLVQRLYHE-QWHCGFSZSA-N 303.366 -0.360 30 20 DBED C=CCn1cc(C(=O)N[C@H]2C[C@H](CNCC(=O)N(C)C)C2)nn1 1755479492 PHYWPRXAJTVMAV-HAQNSBGRSA-N 320.397 -0.350 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H](CO)CNC(=O)c1cncc(F)c1 1755626171 AJCGOPXMXNKKNT-GWCFXTLKSA-N 322.340 -0.961 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C[C@@H](O)CNCc1cnsn1 1755779065 CHTUDBHIQIDBMF-PWSUYJOCSA-N 312.395 -0.515 30 20 DBED C#Cc1cncc(C(=O)N(C)C[C@H](O)CNCC(=O)N(C)C)c1 1755788154 MSWQOTOTPRUJFW-CQSZACIVSA-N 318.377 -0.826 30 20 DBED C[C@@H](OCC1CC1)C(=O)NC[C@@H](CO)NC(=O)C#CC1CC1 1756507760 ILVNTWBHYMKTAH-RISCZKNCSA-N 308.378 -0.192 30 20 DBED C#CCOCCC(=O)NC[C@H](CO)NC(=O)c1cnccc1C 1756521841 XEIWXYKVUBGUIS-CYBMUJFWSA-N 319.361 -0.363 30 20 DBED C=CCCOCC(=O)N(C)C1CC(NC(=O)[C@H]2CCC(=O)N2)C1 1756742456 FINHHVWJPNSCPV-WXRRBKDZSA-N 323.393 -0.037 30 20 DBED CCO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1CNC(=O)CC(=O)NC 1757392811 SGUGOBKJFAFPTH-IJLUTSLNSA-N 324.381 -0.738 30 20 DBED Cc1ccn(CN2CCC(OCC(N)=O)CC2)c(=O)c1C#N 1771651783 MICGBTBSDAPOCA-UHFFFAOYSA-N 304.350 -0.048 30 20 DBED C=CCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1781050300 VXSQJZNDMFFFEV-HEHGZKQESA-N 323.393 -0.885 30 20 DBED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C)[nH]n3)[C@H]2C1 1789307054 PVVOWVOIZSMLBF-OBJOEFQTSA-N 316.361 -0.055 30 20 DBED CC[C@H](C)[C@H](N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC#N 1795083495 NJWONKNEVWNFRL-QIRZIZBZSA-N 322.409 -0.137 30 20 DBED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CC)NC 1795727739 OSJGDQNBANYAJE-HLPPOEQASA-N 321.421 -0.013 30 20 DBED C=CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CC[C@@H](N)C(N)=O)C2 1802311839 AAFFYQUQEKSZEO-YVECIDJPSA-N 322.409 -0.207 30 20 DBED N#Cc1ccccc1CS(=O)(=O)N[C@@H](CC(N)=O)C(=O)O 21795616 BIRJJRSQSFCQGD-JTQLQIEISA-N 311.319 -0.694 30 20 DBED C#CCN1CCC(C(=O)N(C)CC(=O)N2CCOCC2)CC1 68012550 IHORIJUCOLTSOW-UHFFFAOYSA-N 307.394 -0.351 30 20 DBED C=CCN(CC(=O)O)S(=O)(=O)N1CCC[C@H]1C(=O)OCC 92463849 JZJHHORAMJHONU-JTQLQIEISA-N 320.367 -0.169 30 20 DBED CNC(=O)[C@H](NC(=O)CN1CCO[C@H](C#N)C1)c1ccccc1 107307100 SMJPVWKIOOAZRC-UKRRQHHQSA-N 316.361 -0.186 30 20 DBED Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(CCO)CC1 186280482 MUULXSCXJVXIEA-UHFFFAOYSA-N 316.361 -0.058 30 20 DBED C#CCN/C(=N/CC)NCC1CCN(S(C)(=O)=O)CC1 261701502 TYRIACQPZPTLHO-UHFFFAOYSA-N 300.428 -0.154 30 20 DBED N#Cc1ccnc(N2CCN(C(=O)C[C@@H]3COCCN3)CC2)c1 262023994 YXNYVHOVRGDDDS-CQSZACIVSA-N 315.377 -0.020 30 20 DBED CCC(=O)N1CC[C@H](N/C(=N/C2CC2)NCC(=O)N(C)C)C1 262262840 FDMLXWFJBDOVRN-LBPRGKRZSA-N 309.414 -0.217 30 20 DBED COC[C@@](C)(NS(=O)(=O)c1ccc(C#N)nc1)C(=O)OC 268257755 PYSMVKINMMAPKC-GFCCVEGCSA-N 313.335 -0.190 30 20 DBED C#CCN(C)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 282379857 CUMZZAZHCUZRLT-UHFFFAOYSA-N 305.338 -0.161 30 20 DBED C=CCCOCCNC(=O)C(=O)N1CCOC[C@@H]1C[C@@H](C)O 283762344 RSCDPFGGTVZYHT-OLZOCXBDSA-N 314.382 -0.306 30 20 DBED C=CCCOCCNC(=O)C(=O)N1CCOC[C@H]1C[C@H](C)O 283762346 RSCDPFGGTVZYHT-QWHCGFSZSA-N 314.382 -0.306 30 20 DBED CNC(=O)CCN(C)CCS(=O)(=O)c1ccc(C#N)cn1 290496630 YAWWAXZAILKOAW-UHFFFAOYSA-N 310.379 -0.205 30 20 DBED C=CCC[C@@H](CO)NS(=O)(=O)c1cc(C(N)=O)n(C)c1 321194305 FQRMNQHIPAVRQY-VIFPVBQESA-N 301.368 -0.271 30 20 DBED Cn1cc(N2CCN(/C(O)=N/Cc3nnn(C)n3)CC2)cn1 330216351 HRZSDZKGJQSLQF-UHFFFAOYSA-N 305.346 -0.820 30 20 DBED CCS(=O)(=O)NCCC/N=C(/O)N[C@@H]1CC(=O)N(C)C1 331145718 SGUYFCKIYNJUNL-SECBINFHSA-N 306.388 -0.950 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N[C@@H]1CC(=O)N(C2CC2)C1 331806467 WPDFIKKYOGZDHQ-VHSXEESVSA-N 300.384 -0.324 30 20 DBED N#C[C@H]1CN(S(=O)(=O)NCC2(O)CCCCC2)CCO1 337093465 NNCPGDLIOPBEOA-NSHDSACASA-N 303.384 -0.260 30 20 DBED CCN1CCN(S(=O)(=O)N(C)C[C@@H](C)C#N)[C@@H](C)C1=O 337150952 JKLVFCRGFNXWIA-QWRGUYRKSA-N 302.400 -0.125 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N(C)CC(=O)N1CCOCC1 337834663 XCVFMQVOKLAQPJ-LLVKDONJSA-N 318.399 -0.744 30 20 DBED CNC(=O)[C@H]1CN(C(=O)C(=O)Nc2sccc2C#N)CCO1 340171625 JAZBJKFMXBEKKV-SECBINFHSA-N 322.346 -0.468 30 20 DBED Cc1sc2ncc(C(=O)NCC(=O)NCC#N)c(=O)n2c1C 343508573 QGQHCLLPSATCKB-UHFFFAOYSA-N 319.346 -0.258 30 20 DBED COC(=O)CN(CC#N)C(=O)CN1C(=O)COc2ccccc21 348798210 KZGJZZOWEPPQEU-UHFFFAOYSA-N 317.301 -0.063 30 20 DBED Cc1cc(NC(=O)C(=O)N2CCC[C@@](C)(O)C2)nn1CCC#N 349181235 GUKFRLWPESIVTD-OAHLLOKOSA-N 319.365 0.417 30 20 DBED Cc1cc2c(cc1NC(=O)C(=O)NCC(=O)NCC#N)OCO2 357284818 FJFUVKIGXPNCSR-UHFFFAOYSA-N 318.289 -0.582 30 20 DBED N#CCNC(=O)CNC(=O)NCC(=O)NCCc1ccccc1 358279145 RVWFSRGJQGADCY-UHFFFAOYSA-N 317.349 -0.716 30 20 DBED C=CCOC[C@H](NC(=O)c1cnc(C(=O)OC)cn1)C(=O)OC 360749371 YTOVLYSMVFOJBO-NSHDSACASA-N 323.305 -0.263 30 20 DBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1nn[nH]n1 360992903 PRGRKHYZVQKHFI-ZETCQYMHSA-N 321.322 -0.623 30 20 DBED CC[C@@H](CC#N)NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1 408222330 BUHVNIITTRQNIU-JTQLQIEISA-N 324.428 -0.910 30 20 DBED CN1CCN(CCNS(=O)(=O)N(C)CCC#N)CC1(C)C 443074304 HYLXGHSHAFSETL-UHFFFAOYSA-N 317.459 -0.308 30 20 DBED C#CCN(C)CCCNC(=O)C(=O)Nc1cccn(C)c1=O 491166027 PANMZHCHRVXYCO-UHFFFAOYSA-N 304.350 -0.605 30 20 DBED N#CCCCS(=O)(=O)NCCNS(=O)(=O)CCCC#N 524654131 YKYLUTOMINFYTK-UHFFFAOYSA-N 322.412 -0.567 30 20 DBED CNS(=O)(=O)N1CCN(C(=O)c2ccc(C#N)n2C)CC1 572773071 ZKFRSYOBRDWZAE-UHFFFAOYSA-N 311.367 -0.881 30 20 DBED Cc1nsc(N2CCN([C@@H]3CC(=O)NC3=O)CC2)c1C#N 577527580 XXMXRIUCPQZSSW-SNVBAGLBSA-N 305.363 -0.140 30 20 DBED CN(C(=O)NCC1(C#N)CC1)[C@@H]1CCN(S(C)(=O)=O)C1 581241879 ADTOIGQRSYEUHY-SNVBAGLBSA-N 300.384 -0.035 30 20 DBED N#C[C@H]1CN(S(=O)(=O)NCc2ccc(CO)cc2)CCO1 592069475 QGGBCIODUMJVBY-ZDUSSCGKSA-N 311.363 -0.262 30 20 DBED C=C[C@](C)(O)C(=O)NCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 612182396 WCTDCGARGDDLDM-ZEMPRUGVSA-N 304.346 -0.153 30 20 DBED C=C(Br)CNC(=O)CN1C(=O)C(=O)N(C)C1=O 733139731 QEMLIYNLKFJRAZ-UHFFFAOYSA-N 304.100 -0.568 30 20 DBED C#CC(=O)NCc1ccccc1S(=O)(=O)N1CCN(C)CC1 754042187 XSCPNKXCOQRRRS-UHFFFAOYSA-N 321.402 -0.128 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@](C)(CO)C2CC2)C1=O 759517678 HLIKDGXPGWLZHV-CQSZACIVSA-N 309.322 -0.760 30 20 DBED C#CCNC(=O)COC(=O)CCCNC(=O)c1cccnc1 772393306 ZYEQHNFXUGMVEU-UHFFFAOYSA-N 303.318 -0.116 30 20 DBED C#C[C@H](C)NC(=O)N1CCN(C(=O)CN2CCOCC2)CC1 773591776 BBWQQCYSDORVLU-ZDUSSCGKSA-N 308.382 -0.806 30 20 DBED N#C[C@@H]1CN(C(=O)[C@H](O)[C@H](O)c2nc3ccccc3[nH]2)CCO1 779767920 JSUUHZXZVSJMEP-JIMOISOXSA-N 316.317 -0.292 30 20 DBED C#C[C@H](NC(=O)C(=O)NCC(C)(C)C(=O)NCC)[C@@H]1CCCO1 808793586 LWLNGCSYEAXGPE-RYUDHWBXSA-N 323.393 -0.438 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@@H]1CCC[C@@H]1C(=O)NC)[C@H]1CCCO1 809240604 ZXLOOAIOSWCTNB-WUHRBBMRSA-N 321.377 -0.686 30 20 DBED Cc1onc(N)c1S(=O)(=O)NC(=O)c1ccc(C#N)nc1 810829347 LYFWNXBOPPWZGW-UHFFFAOYSA-N 307.291 -0.049 30 20 DBED C=C[C@](C)(O)C(=O)N1CCN(S(=O)(=O)N(CC)CC)CC1 820103571 ARAFJVHBTJHZCO-ZDUSSCGKSA-N 319.427 -0.346 30 20 DBED C#CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 823850516 QCYPHXZNVDTMRT-UHFFFAOYSA-N 308.279 -0.314 30 20 DBED C=CCNC(=O)CNC(=O)C(=O)Nc1cc(C(=O)O)cs1 833376954 HGSZCDNBKHNLPT-UHFFFAOYSA-N 311.319 -0.197 30 20 DBED N#C[C@H]1CNC[C@H]1NC(=O)CNC(=O)c1ccc(F)cc1F 834516674 KOHVKCMBOKHAEU-QPUJVOFHSA-N 308.288 -0.078 30 20 DBED COC(=O)CN(CC#N)C(=O)CCN1C(=O)CCNC1=S 847510176 BUNWRVFFVHOWLW-UHFFFAOYSA-N 312.351 -0.992 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N1CCn2cnnc2[C@@H]1C 875596813 UGWAYDHOYKQDFE-RYUDHWBXSA-N 319.365 -0.274 30 20 DBED C[C@H](NC(=O)C(=O)N1CCN(CCC#N)CC1)[C@@H]1CCCNC1 884684009 UXZLFSKZUHEWPA-UONOGXRCSA-N 321.425 -0.451 30 20 DBED C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H]1CS(=O)(=O)C[C@H]1OC 912395537 KIMYGHDWXBLCOZ-WRWGMCAJSA-N 303.380 -0.104 30 20 DBED CN1C(=O)CC[C@@H]1C(=O)N[C@H]1CCN(C(=O)C#CC2CC2)C1 938489217 SPKBKJJRCFKKJF-QWHCGFSZSA-N 303.362 -0.262 30 20 DBED CO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1NC(=O)Cc1cnn(C)c1 941338146 OXWSBHVZLPODGJ-RAIGVLPGSA-N 319.365 -0.536 30 20 DBED C=CCCN1CC[C@H](NC(=O)CN2CC(=O)NC2=O)[C@H](C)C1 943674005 GLPSJSFWGCKCDS-NEPJUHHUSA-N 308.382 -0.059 30 20 DBED CO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1NC(=O)c1csnn1 943732607 HYNVILQLILISNZ-NQMVMOMDSA-N 309.351 -0.347 30 20 DBED CNC(=O)CN1CCOC2(CCN(C(=O)[C@@H](C)C#N)CC2)C1 949320472 NUBKKKSMPLKQQM-LBPRGKRZSA-N 308.382 -0.415 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CNC(=O)[C@@H]2CCN(C)C2=O)CC1 949393638 CZNMSIVORMKZCX-AAEUAGOBSA-N 320.393 -0.021 30 20 DBED C=C(Cl)CN1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 950891433 JFWVPYXMFZKZRZ-VIFPVBQESA-N 300.746 -0.519 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]1CNC(=O)c1ccc(=O)n(C)c1 951005720 SHCQPGKRUNTMPA-PWSUYJOCSA-N 302.334 -0.124 30 20 DBED C=CCn1cccc1C(=O)N[C@H]1CCCN(C(=O)C(N)=O)C1 951861037 UWUVZZZETLGXRS-NSHDSACASA-N 304.350 -0.120 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]1CNC(=O)c1ccc(C(N)=O)[nH]1 952154346 NWJQMBMIQXGPGC-IUCAKERBSA-N 303.322 -0.396 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CCC[C@H](C1)N2C(=O)[C@@H]1COC(=O)N1 952784496 LVXAOLJUSYUHPI-WYUUTHIRSA-N 320.349 -0.154 30 20 DBED N#Cc1cc(C(=O)N2CC[C@H]3CCN(C(=O)C(N)=O)[C@@H]3C2)c[nH]1 953304850 BDSCVYGRNPJIPP-JOYOIKCWSA-N 315.333 -0.565 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](CNC(=O)c2cnn(C)c2N)C1 958001119 ZBZGZNZETDRGDU-KOLCDFICSA-N 313.789 -0.223 30 20 DBED C=CCCN1C[C@H](O)[C@H](CNC(=O)c2coc(C(N)=O)c2)C1 958281834 QOULVJCZTWCVTG-NEPJUHHUSA-N 307.350 -0.023 30 20 DBED C=C1CC(C)(C(=O)N2C[C@H]3[C@@H](C2)OCCN3C(=O)C(N)=O)C1 960871898 GCSRPRBTXKMOQA-WDEREUQCSA-N 307.350 -0.734 30 20 DBED C=CCN1CC[C@@H](N2C[C@H]3[C@H](NC(=O)c4cnon4)[C@H]3C2)C1=O 962101804 QRDYIAKOXPHXMX-DNIRFERGSA-N 317.349 -0.484 30 20 DBED C=C(C)CN1C[C@H]2C(NC(=O)CN3C(=O)CN(C)C3=O)[C@@H]2C1 962483605 MUINUYDEDJBGHE-GHMZBOCLSA-N 306.366 -0.497 30 20 DBED O=C(NC[C@@H]1COCCN1C(=O)C#CC1CC1)c1ncc[nH]1 964174264 IUJLMSLTVMQARM-GFCCVEGCSA-N 302.334 -0.220 30 20 DBED C#CCCN1CC[C@@H](C)[C@H](NC(=O)Cn2nc(C)n(C)c2=O)C1 968603013 UVAFVLIFGDWSRB-TZMCWYRMSA-N 319.409 -0.260 30 20 DBED CC#CCN1CC[C@@H](C)[C@@H](NC(=O)CN2C(=O)CNC2=O)C1 968626595 BABIAFGCBLFYOF-NEPJUHHUSA-N 306.366 -0.612 30 20 DBED C#CCCN1CC([C@H](C)NC(=O)[C@H]2COCCN2C(C)=O)C1 970902260 SKBJLFFKUOKEMH-SWLSCSKDSA-N 307.394 -0.307 30 20 DBED C=CCN1C[C@H]2CC[C@H]1CN2C(=O)CN1CCC(=O)NC1=O 971994995 SFPRTYAGVUSSKE-NWDGAFQWSA-N 306.366 -0.211 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@]2(CN(Cc3nnnn3C)CCO2)C1 972296477 BQTBLMHIVDNKOZ-RISCZKNCSA-N 319.369 -0.827 30 20 DBED N#Cc1cc(C(=O)N2CC[C@]3(CN(CCO)CCO3)C2)c[nH]1 972352332 NDDNANPHPWSEPU-HNNXBMFYSA-N 304.350 -0.204 30 20 DBED CC#CCN1CCO[C@@]2(CCN(C(=O)[C@H]3CC(=O)N(C)C3)C2)C1 972409727 SPXYKJOUAHFKPF-YOEHRIQHSA-N 319.405 -0.209 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)C[C@@H]3CCCC(=O)N3)C2)C1 972458496 KPFQLYCDBLEVPD-WMLDXEAASA-N 319.405 -0.018 30 20 DBED N#CCN1CCO[C@]2(CCN(C(=O)[C@@H]3CCCCC(=O)N3)C2)C1 972545652 JHUUKEVOOCSHHK-XJKSGUPXSA-N 320.393 -0.128 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)[C@H](C)N3CCOCC3)C2)C1 972708601 SDZSMOQJCCSZGV-DOTOQJQBSA-N 321.421 -0.356 30 20 DBED O=C(N[C@H]1[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]21)c1ccc(O)nn1 976122488 STAJITNWXCTXEC-HBYGRHMLSA-N 312.329 -0.218 30 20 DBED Cc1nccn1CC(=O)N[C@H]1[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]21 976550357 WLFDBJBLTPDCHQ-PQFRYHKHSA-N 301.350 -0.076 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H]2[C@H](NC(=O)Cn3ncnn3)[C@H]2C1 976554224 CNYGSKDBGDHYLZ-IAZYJMLFSA-N 304.354 -0.542 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)c3cc(C(N)=O)co3)[C@H]2C1 977192018 QGGUWYKINALAEA-QAHWYCSRSA-N 316.317 -0.275 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCCN(Cc2nnnn2C)CC1 981992668 BBWRPLSMWQHPOC-OLZOCXBDSA-N 320.397 -0.165 30 20 DBED C#CCCN1CCCN(C(=O)[C@@H]2CCN(C)S2(=O)=O)CC1 982165906 USLXINUYMICXOR-ZDUSSCGKSA-N 313.423 -0.422 30 20 DBED O=C1N[C@H](C(=O)NC[C@@H]2CCN(C(=O)C#CC3CC3)C2)CO1 982741353 HACZILAKNFQGHM-RYUDHWBXSA-N 305.334 -0.527 30 20 DBED CCCN1C[C@@H](C(=O)NC2CN(C(=O)[C@@H](C)C#N)C2)CC1=O 991587681 WMTVVEWTHYMLDX-QWRGUYRKSA-N 306.366 -0.268 30 20 DBED N#Cc1ccc(C(=O)N2CC(NC(=O)[C@H]3CCCNC3=O)C2)[nH]1 993995823 BMPRRYRWTALMRD-NSHDSACASA-N 315.333 -0.647 30 20 DBED CC1(C)CN(C(=O)CCc2nnc(O)nc2O)C[C@H]1NCC#N 996002566 JMLMENLEAYXXKR-SNVBAGLBSA-N 320.353 -0.434 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2CCN(C)C2=O)C1 997950736 ZWENKYBUVBAXJF-UPJWGTAASA-N 321.377 -0.617 30 20 DBED Cn1nnnc1CN[C@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1 998962741 UPCVLDRNFHRFFF-NSHDSACASA-N 314.353 -0.196 30 20 DBED C#Cc1cncc(C(=O)NC2CN(C(=O)c3cnn(CC)n3)C2)c1 999305050 VKQREPXUJSECSG-UHFFFAOYSA-N 324.344 -0.071 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C(N)=O 1005669054 RSWDGNDEAFSJEO-KVSVUVNWSA-N 321.377 -0.299 30 20 DBED O=C(NC1[C@H]2CN(C(=O)C#CC3CC3)C[C@H]12)c1ccc(O)nn1 1012724459 STAJITNWXCTXEC-QWRGUYRKSA-N 312.329 -0.218 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1[C@H]2CN(C(=O)C(N)=O)C[C@H]12 1013175072 UXBBJHKAWGYVQN-GMOBBJLQSA-N 307.350 -0.974 30 20 DBED Cc1nc[nH]c1CC(=O)NC1[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]12 1013523867 WUCQLNWGMRLNQQ-JMJZKYOTSA-N 301.350 -0.007 30 20 DBED C=C(C)CN[C@H]1CCN(C(=O)C2(n3cnnn3)CCOCC2)C1 1019496562 YXFAFQRENZOHOV-ZDUSSCGKSA-N 320.397 -0.055 30 20 DBED C=CCN1CC[C@@H](N[C@H]2C[C@H](NC(=O)[C@H]3CCC(=O)N3)C2)C1=O 1020028008 KJTUOSZIZGGDOB-FDYHWXHSSA-N 320.393 -0.711 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)c3ccc(O)nc3)C2)C1=O 1031344768 YFICZEPQYLXZPM-ZDUSSCGKSA-N 316.361 -0.012 30 20 DBED COCCn1ccc(C(=O)NC[C@H]2CN(CC#N)CCO2)n1 1035442875 RGMHQKUDSCTVSR-LBPRGKRZSA-N 307.354 -0.516 30 20 DBED CC(C)C#CC(=O)NC[C@]1(O)CCN(C(=O)c2cncn2C)C1 1039667948 KOFIBUBWLVGKBJ-MRXNPFEDSA-N 318.377 -0.227 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@]1(O)CCN(C(=O)COCC=C)C1 1039721891 PEQGDBYRJNRHKZ-XJKSGUPXSA-N 324.377 -0.693 30 20 DBED C[C@H]1CCN(C(=O)C(N)=O)C[C@@H]1CNc1nccnc1C#N 1039886898 AEMJVSKAKIPZEK-UWVGGRQHSA-N 302.338 -0.270 30 20 DBED C=C(C)CCC(=O)NC[C@@]1(O)CCN(C(=O)c2cnn[nH]2)C1 1040046839 FIUSWEIOODZEAW-AWEZNQCLSA-N 307.354 -0.146 30 20 DBED C=CCOCC(=O)N1CC[C@@](O)(CNC(=O)Cn2ccnc2)C1 1040215904 YFEAHBGQGLUGRS-OAHLLOKOSA-N 322.365 -0.835 30 20 DBED Cc1nnccc1C(=O)NC[C@]1(O)CCN(C(=O)[C@@H](C)C#N)C1 1040397416 UDSAOQJKORUKLJ-ZUZCIYMTSA-N 317.349 -0.362 30 20 DBED C=CCCCC(=O)NC[C@]1(O)CCN(C(=O)CC(=O)NC)C1 1040729600 RCPISLKHHVSMNN-OAHLLOKOSA-N 311.382 -0.442 30 20 DBED N#Cc1ccc(NC[C@@H]2CN(C(=O)C(N)=O)CCCO2)cn1 1041526425 YGTGBASSNCFERA-GFCCVEGCSA-N 303.322 -0.532 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)CSCC#N)C1 1041568305 HEJYKFJQSKWGNB-UHFFFAOYSA-N 309.391 -0.408 30 20 DBED Cn1cc(C(=O)N2CC[C@]3(CCN(CC#N)C3)C2)c(O)nc1=O 1041828282 XHKRKBWTMXSOAC-HNNXBMFYSA-N 317.349 -0.453 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)[C@H]2C[C@H]2C(=O)OC)C1 1041952334 PYKGVUZYKCDYNN-WDEREUQCSA-N 310.350 -0.549 30 20 DBED Cn1cc(C(=O)N2CC[C@@H]3CCN(CC#N)[C@H]3C2)ncc1=O 1042160051 KLEJIZGYKKZWHK-AAEUAGOBSA-N 301.350 -0.160 30 20 DBED Cc1nn(CC(=O)N2CC[C@@H]3CCN(CC#N)[C@@H]3C2)c(=O)n1C 1042331409 BOSNASVEOZOIIF-QWHCGFSZSA-N 318.381 -0.663 30 20 DBED N#Cc1ccc(C(=O)NCC2(O)CN(C(=O)[C@H]3CC3(F)F)C2)[nH]1 1042609064 QEKJMHSTAOKVGP-SECBINFHSA-N 324.287 -0.155 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)NCC1(O)CN(C(=O)CC)C1 1043028417 MGOCNKUQXVNDAP-GFCCVEGCSA-N 311.382 -0.443 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2cc[nH]c2C)C1 1043040283 PZHGGMDLVXYWSN-LBPRGKRZSA-N 319.361 -0.335 30 20 DBED N#Cc1nccnc1N1C[C@H](O)[C@H](NC(=O)C[C@@H]2CCOC2)C1 1043888122 XTNMEVVIPBENJT-UHTWSYAYSA-N 317.349 -0.559 30 20 DBED Cc1nc(C)c(C(=O)N2CC(O)(CNC(=O)[C@@H](C)C#N)C2)o1 1045541408 WDTGNUKCKMPFQV-QMMMGPOBSA-N 306.322 -0.246 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)CCOCC2CC2)C1 1045552634 UMOIDSPCNLVIJT-LLVKDONJSA-N 309.366 -0.348 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)CC[C@@H]2CCCN2C)C1 1045565460 XUGFHMCAQPHSID-STQMWFEESA-N 322.409 -0.290 30 20 DBED Cc1cnoc1C(=O)NCC1(O)CN(C(=O)C#CC(C)C)C1 1045676302 RUNNUVOVFPYLAF-UHFFFAOYSA-N 305.334 -0.054 30 20 DBED C=CCN1CC[C@@H](N2CCN(C(=O)[C@H]3CCN(C)C3=O)CC2)C1 1046054239 JXNNLWWDHUYWHP-CABCVRRESA-N 320.437 -0.131 30 20 DBED CN(C(=O)C(N)=O)[C@H]1CN(Cc2cc(F)ccc2C#N)C[C@@H]1O 1047507137 PHNYNSZTRCALRA-STQMWFEESA-N 320.324 -0.814 30 20 DBED CN(C(=O)c1ncn(C(C)(C)C)n1)[C@H]1CN(CC#N)C[C@@H]1O 1047525511 NGVSTTQLKLDYLG-QWRGUYRKSA-N 306.370 -0.326 30 20 DBED CCO[C@@H]1CN(C(=O)C(N)=O)C[C@H]1CNc1ccc(C#N)cn1 1047925810 RXWMJXRTAYCTDW-VXGBXAGGSA-N 317.349 -0.286 30 20 DBED C=CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CNC(=O)N2)C1 1049349656 WIVIZCRESXGRIZ-SRVKXCTJSA-N 324.381 -0.946 30 20 DBED C=CCN1CCC2(CC1)CN(C(=O)C[C@@H]1NC(=O)NC1=O)C2 1050548170 WXSCVVQSKHXKAX-NSHDSACASA-N 306.366 -0.305 30 20 DBED C=CCN1CCOC[C@@H]1CNC(=O)[C@@H]1CCc2nnc(O)n2C1 1050989425 OYSZFGKIHMZPRZ-NEPJUHHUSA-N 321.381 -0.451 30 20 DBED Cc1nnc2ccc(C(=O)NC[C@@H]3COCCN3CC#N)cn12 1050990546 ICKVEKDETKZDFU-CYBMUJFWSA-N 314.349 -0.008 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](C)[C@@H](CNC(=O)C(F)F)C1 1052396587 HAKDPAMPQNOTAI-ZJUUUORDSA-N 315.320 -0.398 30 20 DBED CNC(=O)CC(=O)N1C[C@@H](C)[C@H](CNC(=O)C#CC(C)C)C1 1052434099 CIIPRPQQDLBUDX-CHWSQXEVSA-N 307.394 -0.007 30 20 DBED CC#CCN1CCC[C@H](NC(=O)CN2CC(=O)N(C)C2=O)CC1 1052863472 NVWMTPWLDYUXKS-ZDUSSCGKSA-N 320.393 -0.126 30 20 DBED CCN1CCOC[C@@H]1C(=O)N[C@@H]1COC2(C1)CN(CC#N)C2 1053854098 RYSQVSDCBHPOMS-QWHCGFSZSA-N 308.382 -0.810 30 20 DBED C#CCN1CC[C@]2(CCCN(C(=O)CN3C(=O)CNC3=O)C2)C1 1054236312 HSASOKLUNAQVGW-MRXNPFEDSA-N 318.377 -0.514 30 20 DBED Cc1nc[nH]c1C(=O)N[C@@]1(CO)CCCN(C(=O)[C@H](C)C#N)C1 1056007733 IUBSRNMBSGJVMU-BMIGLBTASA-N 319.365 -0.039 30 20 DBED N#Cc1cnc(N2C[C@@H]3C(NC(=O)c4c[nH]c(=O)cn4)[C@H]3C2)cn1 1056388839 HMNRPCNSWOKPIA-UWVGGRQHSA-N 323.316 -0.704 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)c1cc(OC)n(C)n1 1057167224 IAKADEFFESJPOO-UHFFFAOYSA-N 324.381 -0.054 30 20 DBED O=C(C#CC1CC1)NCCN(CCO)C(=O)c1csnn1 1058185796 IBUGCNRPAWPDEH-UHFFFAOYSA-N 308.363 -0.498 30 20 DBED N#Cc1nccnc1N1CC[C@@H](NC(=O)C2=COCCO2)C1 1058276571 KOVHUPJAZFORSL-SNVBAGLBSA-N 301.306 -0.069 30 20 DBED Cc1nonc1CC(=O)N[C@H]1C[C@H](N=c2cc[nH]c(C#N)n2)C1 1059287023 MMLFMRSCWNYTRW-MGCOHNPYSA-N 313.321 -0.237 30 20 DBED N#Cc1cncc(N[C@@H]2CC[C@H]3CN(C(=O)CC(N)=O)C[C@H]32)n1 1060522552 AQUHRVQWZCPOGM-MVWJERBFSA-N 314.349 -0.127 30 20 DBED N#Cc1ccc(N2CC[C@H](CNC(=O)c3nccnc3N)C2)nn1 1061551374 KGFHDHJFAQPCMU-SNVBAGLBSA-N 324.348 -0.023 30 20 DBED O=C(C#CC1CC1)NC[C@H]1COCCN1C(=O)c1cnccn1 1061569650 JDTGXYKHPZVFBU-ZDUSSCGKSA-N 314.345 -0.153 30 20 DBED CNC(=O)C1(C(=O)NC[C@H]2COCCN2C(=O)[C@H](C)C#N)CC1 1061700522 GFOPCQFFMOHNEE-MNOVXSKESA-N 322.365 -0.984 30 20 DBED C=CCCCC(=O)NC[C@@H]1COCCN1C(=O)CNC(C)=O 1061829740 XWZLMRNNUBZEOV-CYBMUJFWSA-N 311.382 -0.178 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(NC(=O)Cn2cncn2)CCC1 1062866482 NQQMIMRQLKHFOM-CQSZACIVSA-N 321.381 -0.240 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)CNC(C)=O)CCO1 1064775547 OYYBNKJZXDGHDL-CYBMUJFWSA-N 309.366 -0.730 30 20 DBED Cc1cnc(C(=O)N2CCO[C@@H](CNC(=O)[C@H](C)C#N)C2)cn1 1064795213 FFLWITIYDMKGNK-PWSUYJOCSA-N 317.349 -0.098 30 20 DBED Cc1cnn(CC(=O)N2CCO[C@@H](CNC(=O)[C@H](C)C#N)C2)c1 1064921877 KKOQZVOUVHCXDR-OLZOCXBDSA-N 319.365 -0.305 30 20 DBED C=CCCC(=O)N1CCO[C@H](CNC(=O)c2nccnc2N)C1 1064956213 TVPYFXZZZLHGKV-LLVKDONJSA-N 319.365 -0.018 30 20 DBED N#Cc1cncc(NC[C@@H]2CCCN2C(=O)[C@@H]2CCNC2=O)n1 1064984288 VSDVTIAPHQZCAX-NWDGAFQWSA-N 314.349 -0.113 30 20 DBED NC(=O)CCCC(=O)NC[C@@H]1CN(C(=O)C#CC2CC2)CCO1 1065136778 HMZRDUNQSDCFKI-CYBMUJFWSA-N 321.377 -0.601 30 20 DBED C[C@@H](N=c1cc[nH]cc1C#N)[C@@H]1CCN(C(=O)CC(N)=O)C1 1065685824 ZHHAANXGRZFQTJ-GHMZBOCLSA-N 301.350 -0.101 30 20 DBED N#Cc1c[nH]ccc1=N[C@]1(CO)CCCN(C(=O)CC(N)=O)C1 1066896984 RMTIOICZATUPHR-OAHLLOKOSA-N 317.349 -0.984 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCCN(C)C(=O)[C@H]1CN(C)C(=O)N1 1067899701 XQQIEDUTMPSHJL-WDEREUQCSA-N 309.370 -0.523 30 20 DBED Cn1ncc(C(=O)NCC2[C@H]3CN(c4ccnc(C#N)n4)C[C@H]23)n1 1068178272 UPOAECCNGXWUMI-GHMZBOCLSA-N 324.348 -0.411 30 20 DBED C=CCCC(=O)N1CCOC2(C1)CN(C(=O)[C@H](C)NC(C)=O)C2 1068344241 LCVUJLLFGKNFHG-LBPRGKRZSA-N 323.393 -0.083 30 20 DBED C=C[C@@](C)(CC)C(=O)N1CC2(C[C@@H](NC(=O)CC(N)=O)CO2)C1 1068785030 XPEZPSVBHGPYJT-ABAIWWIYSA-N 323.393 -0.050 30 20 DBED C[C@@H]1C[C@@H](Nc2ccc(C#N)nn2)CN1C(=O)Cn1cnnn1 1069005848 JHHOXNNAFHOFCV-MWLCHTKSSA-N 313.325 -0.564 30 20 DBED C#CCN1CCn2ncc(CNC(=O)C3=COCCO3)c2C1 1069851711 RECBWUCXAMXWKQ-UHFFFAOYSA-N 302.334 -0.164 30 20 DBED C=CCN1CCn2ncc(CNC(=O)[C@H]3COCCO3)c2C1 1069853489 UCTMWWWILGIGPG-CQSZACIVSA-N 306.366 -0.084 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CCCN(C(=O)Cn2cnnn2)C1 1070410816 SXUZXTDOTZKLFF-GFCCVEGCSA-N 304.354 -0.560 30 20 DBED C#CCN1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CNC(=O)N2)C1 1070422762 HZIRAISCETXRKD-PWSUYJOCSA-N 316.365 -0.870 30 20 DBED C=CCOCC(=O)N[C@@H]1CCCN(C(=O)CNC(=O)C2CC2)C1 1070475905 PSXVZHMYTDVXFG-CYBMUJFWSA-N 323.393 -0.178 30 20 DBED C=CCOCCCC(=O)N1CCC[C@@H](NC(=O)CC(N)=O)C1 1070593547 LAOXIDBMPIAIMX-GFCCVEGCSA-N 311.382 -0.048 30 20 DBED C=CCOCC(=O)N[C@@H]1CCCN(C(=O)c2cnn(C)n2)C1 1070984797 WLYMRBNUNHQVFK-LLVKDONJSA-N 307.354 -0.262 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CN(C(=O)CSC)C[C@H]1C 1071543162 UTRYOLBOFYDUML-MNOVXSKESA-N 311.407 -0.548 30 20 DBED C=CCOCC(=O)N[C@H]1CN(C(=O)CN2CCCC2=O)C[C@@H]1C 1071556466 JHVSXVOJBRYZCK-STQMWFEESA-N 323.393 -0.226 30 20 DBED C=CCCn1cc(C(=O)N[C@H]2CC[C@@H](C)N(CC(N)=O)C2)nn1 1071890835 SLCCHGUXPSHQEP-NEPJUHHUSA-N 320.397 -0.078 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 1073660575 JGEPDXKCTOLCGC-RBSFLKMASA-N 309.410 -0.454 30 20 DBED C#CCOCCC(=O)N1CC[C@H](NC(=O)CC(=O)NC)[C@@H](C)C1 1073910633 XALVNNBKDPHFQN-STQMWFEESA-N 323.393 -0.484 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CCN(C(=O)c2nc[nH]n2)CC1 1074670008 MDZZPCHBJYEVMQ-SECBINFHSA-N 306.326 -0.952 30 20 DBED C[C@@H](CCNC(=O)c1ccc(C#N)[nH]1)NC(=O)[C@@H]1CCNC1=O 1076183348 VXFZKLLBOKXOLZ-GXSJLCMTSA-N 317.349 -0.353 30 20 DBED CC(C)c1nnnn1CC(=O)NCC[C@H](C)NC(=O)[C@H](C)C#N 1076699468 LLJZVIMDXQXITD-MNOVXSKESA-N 321.385 -0.033 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2coc(S(C)(=O)=O)c2)C1 1077029150 VGBLNYUSBMFOCP-GHMZBOCLSA-N 312.347 -0.909 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2ccc(N3CCCC3)nn2)C1 1077977498 APSHPVFMLDNSHO-ZIAGYGMSSA-N 315.377 -0.515 30 20 DBED COc1ccc(CC(=O)N[C@@H]2CN(CC#N)C[C@H]2O)cc1OC 1078113661 YECOGHFBEWVBMH-CHWSQXEVSA-N 319.361 -0.069 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)c2ccc(=O)n(C)n2)C1 1078134121 IMEWXUXKMQPINP-GHMZBOCLSA-N 312.757 -0.692 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)c2noc3c2COCC3)C1 1078207332 WMAYEJZQSZSQTN-VXGBXAGGSA-N 305.334 -0.455 30 20 DBED C#CCN[C@H]1C[C@H](NC(=O)c2nnc(O)nc2O)C12CCC2 1078671219 SFKPFYZHCDKXQU-IUCAKERBSA-N 303.322 -0.453 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCC(CO)(NC(=O)COC)CC1 1080674000 OTANJEDXSPQNLZ-AWEZNQCLSA-N 314.382 -0.570 30 20 DBED Cc1nonc1C(=O)N1CCC(CO)(NC(=O)[C@@H](C)C#N)CC1 1080983876 YXCNCSQYTMFHFB-VIFPVBQESA-N 321.337 -0.379 30 20 DBED C=CCn1cc(C(=O)N2C[C@@H](O)[C@H](CNC(=O)C(C)C)C2)nn1 1081281753 OIXMVMXBVCSCTP-DGCLKSJQSA-N 321.381 -0.331 30 20 DBED COCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 1081377920 ZYKRSQVJCXDRST-WCQYABFASA-N 320.349 -0.528 30 20 DBED N#CCSCC(=O)N1C[C@H](CNC(=O)CCCF)[C@@H](O)C1 1081659843 CVBHQIFNUXOSDX-QWRGUYRKSA-N 317.386 -0.072 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1c[nH]c(C)cc1=O 1083238850 FKGOSYZEYCBTNY-DZGCQCFKSA-N 301.346 -0.158 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](NC(=O)c2cc(=O)n(C)cn2)C1 1083537679 JXTBTJHZXUFDQU-OLZOCXBDSA-N 306.366 -0.479 30 20 DBED C=CCOc1ccccc1C(=O)N[C@@H]1CN(CC(N)=O)C[C@@H]1O 1083578552 RDCCUEONSVKNPN-OLZOCXBDSA-N 319.361 -0.488 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)c2cc(C)c(C(N)=O)cn2)C1 1083792408 OKTUYQIYDYHWGS-KGLIPLIRSA-N 316.361 -0.713 30 20 DBED C=CCN1CC[C@@H]2CN(C(=O)[C@H]3CCS(=O)(=O)N3)C[C@@H]2C1 1088205038 ZHUBWRUKBADRTI-FRRDWIJNSA-N 313.423 -0.356 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CCN(Cc3cnon3)C[C@H]2O)c[nH]1 1090195463 VBNCFEQXEINOIG-CHWSQXEVSA-N 316.321 -0.365 30 20 DBED CCc1nc(C#N)cc(N2C[C@@H](O)[C@H](NC(=O)COC)C2)n1 1090367098 VGOQBGHGVMBHGR-GHMZBOCLSA-N 305.338 -0.777 30 20 DBED C=CCN1CC[C@@H](NC(=O)C(=O)N2CCC(C)CC2)[C@H](O)C1 1090630017 URMJRHTWAJRYAF-ZIAGYGMSSA-N 309.410 -0.018 30 20 DBED COCC[C@@H](C)C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@@H]1O 1091108435 DOFJLSVQSBBTBF-RTXFEEFZSA-N 319.365 -0.313 30 20 DBED C=CCN1C[C@@H]2CN(C(=O)C[C@@H]3NC(=O)NC3=O)C[C@]2(C)C1 1091748234 GZOQPVVOOUYCTA-ZETOZRRWSA-N 306.366 -0.449 30 20 DBED CNC(=O)CC(=O)N[C@H]1CCN(c2ccc(C#N)nn2)[C@@H]1C 1091958903 BDMSDOXALZTRAI-KOLCDFICSA-N 302.338 -0.432 30 20 DBED CC(=O)NCC(=O)N[C@H]1[C@@H]2CN(c3nccnc3C#N)C[C@@H]21 1093215325 LLYGGWUNJHIIFO-IWIIMEHWSA-N 300.322 -0.965 30 20 DBED Cc1cc(C#N)nc(NCCNC(=O)CCc2cnn[nH]2)n1 1094130455 XMAQKEXULRCSDN-UHFFFAOYSA-N 300.326 -0.064 30 20 DBED C[C@H](C#N)C(=O)NCCCN(C)c1ncnc2c1nnn2C 1095507526 WPXSRVIZJHSVNQ-SECBINFHSA-N 302.342 -0.140 30 20 DBED N#Cc1ccc(N[C@H]2CCN(C(=O)C(=O)NCC(F)F)C2)nn1 1096967179 LNIVTPOMCGPXEZ-VIFPVBQESA-N 324.291 -0.258 30 20 DBED C[C@H](NC(N)=O)C(=O)N[C@H]1C[C@@H](Nc2ccc(C#N)nn2)C1 1097176098 PTODFBIWMIHMJY-UJNFCWOMSA-N 303.326 -0.536 30 20 DBED Cc1cc(=N[C@H]2C[C@@H](NC(=O)CCNC(N)=O)C2)c(C#N)c[nH]1 1097183834 DOIMQBAIEQTTPH-TXEJJXNPSA-N 316.365 -0.199 30 20 DBED C[C@H](CNC(=O)Cn1cnnc1O)Nc1ncccc1C#N 1097788622 ZUJORVHTMWHFSI-SECBINFHSA-N 301.310 -0.133 30 20 DBED CC(=O)NCC(=O)N1CCC[C@H](N(C)c2cncc(C#N)n2)C1 1098668436 ZURVAUVUFAPMFH-ZDUSSCGKSA-N 316.365 -0.088 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)C(C)(C)F)[C@H](O)C1 1099609651 DAYWOAKARAJVLW-WDEREUQCSA-N 301.362 -0.412 30 20 DBED N#CCNC(=O)CN1CC[C@@H](NC(=O)c2cccs2)[C@@H](O)C1 1099630958 SMYCTZDPMKJTMJ-MNOVXSKESA-N 322.390 -0.447 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)c2ccsc2)[C@@H](O)C1 1099650575 HGJFYEBZIHKXAO-OLZOCXBDSA-N 321.402 -0.338 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(CC(=O)NC2CC2)C[C@@H]1O 1099740893 KRYRQAVSCTWSNS-STQMWFEESA-N 311.382 -0.981 30 20 DBED C#CCCCCC(=O)N[C@@H]1CCN(CC(=O)NCC#C)C[C@H]1O 1099786988 SOLKIIJZWSOFGC-HUUCEWRRSA-N 319.405 -0.519 30 20 DBED C=CCCN1CC[C@H](NC(=O)CCS(C)(=O)=O)[C@@H](O)C1 1099894538 LWFXVBOHIZOLPA-RYUDHWBXSA-N 304.412 -0.451 30 20 DBED C=CC(C)(C)C(=O)N[C@H]1CCN(CCS(C)(=O)=O)C[C@H]1O 1099944406 NIJUDLOQORKWBD-NWDGAFQWSA-N 318.439 -0.205 30 20 DBED C#CCN1CC[C@H](NC(=O)C2(S(C)(=O)=O)CCC2)[C@H](O)C1 1100057432 FWGVHZVXFXYABR-NWDGAFQWSA-N 314.407 -0.862 30 20 DBED C[C@H](C#N)C(=O)NCC1CC(NCC(=O)NC2CCOCC2)C1 1100189885 CPIHMURFUWTNAA-LKSINWNRSA-N 322.409 -0.074 30 20 DBED C=CCNC1CC(CNC(=O)Cn2ncn3nccc3c2=O)C1 1100723959 MAQFXAXLLBIOEN-UHFFFAOYSA-N 316.365 -0.439 30 20 DBED CNC(=O)NC(C)(C)C(=O)N1C[C@H]2CN(CC#N)C[C@@]2(C)C1 1101473075 FEZCJLPNIAYCOD-ABAIWWIYSA-N 307.398 -0.002 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)c1ccc2nncn2c1 1101682674 SVPSLXVRDFGDLY-UHFFFAOYSA-N 322.332 -0.003 30 20 DBED C[C@@H](CNC(=O)c1cn(C)nn1)CNc1ccc(C#N)nn1 1103927787 SLMCFVCTDBTYEW-SECBINFHSA-N 300.326 -0.045 30 20 DBED CNC(=O)NCCC(=O)NC[C@H](C)CNc1ccc(C#N)nn1 1103929127 PRAFCFHVTMFDTM-SNVBAGLBSA-N 319.369 -0.168 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)c1ncn(C)n1 1103929432 YLKSZZHDIVALIV-SECBINFHSA-N 300.326 -0.623 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)Cn1nccn1 1104701336 FWDNKFOTNCQWOI-SNVBAGLBSA-N 300.326 -0.679 30 20 DBED CCc1nc(C#N)cc(N(C)CCN(C)C(=O)CNC(N)=O)n1 1105321911 QDRSRSDOSJUVJB-UHFFFAOYSA-N 319.369 -0.526 30 20 DBED N#Cc1nccnc1NC[C@H](O)CNC(=O)C1=COCCC1 1105743017 WCKKOMFZNZCLGE-NSHDSACASA-N 303.322 -0.068 30 20 DBED CN(C)CCOCC(=O)NC[C@H](O)CNc1ccc(C#N)cn1 1105903670 JMVKLZFTOWXSKJ-CYBMUJFWSA-N 321.381 -0.580 30 20 DBED CC[C@@H](C(=O)NC[C@H](O)CN=c1cc(C)[nH]cc1C#N)N(C)C 1105925624 DJVSWRUDBDYGBE-HIFRSBDPSA-N 319.409 -0.087 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)CO[C@@H]2CCOC2)nc1 1105972404 IZCVGHNROCOOHO-CHWSQXEVSA-N 320.349 -0.352 30 20 DBED C[C@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)[C@H]1CCC(=O)N1 1106272373 XAMVPAXHDBYGHC-NXEZZACHSA-N 302.338 -0.645 30 20 DBED C=CCCN1CCO[C@](C)(CNC(=O)C2CS(=O)(=O)C2)C1 1107969898 XIBUAUZAFOUXKK-CQSZACIVSA-N 316.423 -0.186 30 20 DBED COCC#CCN1CCO[C@@](C)(CNC(=O)c2cnon2)C1 1108290721 CNYNDJPMUJEQLE-AWEZNQCLSA-N 308.338 -0.460 30 20 DBED CNC(=O)NCCC(=O)N[C@@H](C)CNc1nc(C)cc(C#N)n1 1108362243 GWPLCUXJCQJBKP-JTQLQIEISA-N 319.369 -0.108 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)[C@@H](CC)OCC)CC2=O)C1 1108513466 KRFMWLAABTXPIN-TZMCWYRMSA-N 307.394 -0.164 30 20 DBED CO[C@H](C(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1)C1CC1 1108540893 JRPDODSCAWJBNB-FZMZJTMJSA-N 306.366 -0.664 30 20 DBED C#CCCN1CC(N2C[C@@H](NC(=O)CCCN(C)C)CC2=O)C1 1108566151 FJJNGOWPPDKWML-AWEZNQCLSA-N 320.437 -0.247 30 20 DBED C[C@H](CC(=O)N[C@H](C)CN(C)c1ccnc(C#N)n1)NC(N)=O 1109098161 YRVWAXXXNDENJT-NXEZZACHSA-N 319.369 -0.264 30 20 DBED C[C@H](CN(C)c1ccnc(C#N)n1)NC(=O)c1c[nH]c(=O)cn1 1109231440 PFIMNPKPTBPLCK-SECBINFHSA-N 313.321 -0.314 30 20 DBED CNC(=O)CC(=O)N[C@@H]1[C@H]2C[C@H]1N(c1cnc(C#N)cn1)C2 1109699510 LICVHFORMUDWTP-LLHLLMPMSA-N 300.322 -0.822 30 20 DBED CSCC(=O)N(C)[C@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1111168999 YEEZXWPHBKHPGQ-UWVGGRQHSA-N 307.379 -0.281 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNc1nccn2nnnc12 1111471920 ZBURSKHLPKJOJP-UHFFFAOYSA-N 317.353 -0.589 30 20 DBED CC(=O)NCC(=O)N1C[C@H](C)OC2(CCN(CC#N)CC2)C1 1111533870 OWAYMWYQJGEQAU-LBPRGKRZSA-N 308.382 -0.272 30 20 DBED CNC(=O)CC(=O)NC[C@H]1COCCN1c1ncccc1C#N 1111675424 KRKZPXYBOZZOPU-LBPRGKRZSA-N 317.349 -0.589 30 20 DBED CNC(=O)CC(=O)N[C@H]1CCN(c2ccc(C#N)nn2)[C@H](C)C1 1112470713 YYQBPHMSVBXZJF-MNOVXSKESA-N 316.365 -0.042 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(c2ccc(C#N)nn2)C[C@H]1O 1112701847 LDODLROZWUZLHZ-WCQYABFASA-N 317.349 -0.536 30 20 DBED C#CCOCCC(=O)N1CCN(CC(=O)NCC(C)C)CC1 1112844954 NVLRJGOVZOQSNJ-UHFFFAOYSA-N 309.410 -0.057 30 20 DBED COCC#CCN1CCN(C(=O)[C@@H](C)N2C(=O)CCC2=O)CC1 1112919883 NWDQAPATDRBPMQ-CYBMUJFWSA-N 321.377 -0.682 30 20 DBED C[C@H](Nc1nccnc1C#N)[C@@H](C)NC(=O)CN1CCOCC1 1112970898 JLFPHZWYVIILMP-NEPJUHHUSA-N 318.381 -0.014 30 20 DBED Cc1cc(N(C)[C@H](C)CNC(=O)CNC(N)=O)c(C#N)cn1 1113509165 PKFJDGDOTGDQMZ-SNVBAGLBSA-N 304.354 -0.129 30 20 DBED C=CCOCC(=O)NC1[C@@H]2CN(C[C@@H](O)Cn3cccn3)C[C@@H]12 1114033603 ADQZSPVGGZKMCJ-MGPQQGTHSA-N 320.393 -0.507 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)c3n[nH]c(C)c3O)[C@@H]2C1 1114140790 LPLWQAOJZPVTKJ-NXEZZACHSA-N 319.365 -0.614 30 20 DBED N#CCNC(=O)CN1C[C@@H]2C(NC(=O)Cc3ccoc3)[C@H]2C1 1114166489 SQPDVFDIVLUMDH-RYUDHWBXSA-N 302.334 -0.492 30 20 DBED C#CCOCCC(=O)NC1[C@@H]2CN(Cc3cn(CC)nn3)C[C@@H]12 1114268226 HYYCBONOZQOYBI-ZIAGYGMSSA-N 317.393 -0.116 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@@H]3CCCCN3C)[C@H]2C1 1114466720 RVNSZROCLMOBNM-KNCOVGOOSA-N 318.421 -0.734 30 20 DBED CC#CCN1C[C@@H]2C(NC(=O)CCn3ncn(C)c3=O)[C@H]2C1 1114618696 JAHSTOHKTINPCB-RYUDHWBXSA-N 303.366 -0.958 30 20 DBED CNC(=O)NCC(=O)N[C@H]1C[C@H](CNc2cncc(C#N)n2)C1 1114821031 TXICLWMEZPMXOG-MGCOHNPYSA-N 317.353 -0.416 30 20 DBED C=CCn1cc(C(=O)NC2[C@@H]3CN(C[C@@H](O)COC)C[C@@H]23)nn1 1114942594 NRFOEHQUANLXNP-IJLUTSLNSA-N 321.381 -0.869 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)[C@@H]3C[C@H]3C3CC3)[C@@H]2C1 1114952661 ZAQLGTFACNJMKY-REWJHTLYSA-N 301.390 -0.172 30 20 DBED C[C@@H](CN(C)C(=O)CCn1cnnn1)Nc1ccc(C#N)nn1 1115808911 RXVVJMOOEWQHEH-JTQLQIEISA-N 315.341 -0.316 30 20 DBED Cc1cc(NC(=O)C(=O)NCC(=O)NCC#N)cnc1Cl 1117417161 VMOKIEYCXVENJS-UHFFFAOYSA-N 309.713 -0.262 30 20 DBED C#CC1CCN(C(=O)C(=O)NC[C@@H]2CC(=O)N(CC)C2)CC1 1118299900 OWKOPTJDIAQQON-ZDUSSCGKSA-N 305.378 -0.157 30 20 DBED C[C@H](C#N)C(=O)NC1CC2(CC(NCc3nnn(C)n3)C2)C1 1120835009 SNOZFZPLMMPOSW-NJQQVTKISA-N 303.370 -0.113 30 20 DBED Cn1cnc(C(=O)NC[C@H](CO)Nc2ccc(C#N)cn2)c1 1121302374 AEDNUVAJUNKDCC-LLVKDONJSA-N 300.322 -0.110 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)CCn2ccnn2)cn1 1121365958 PZBMOGMQTJYSDB-ZDUSSCGKSA-N 315.337 -0.476 30 20 DBED COC[C@H](OC)C(=O)N(C)C[C@@H](O)CNc1nccnc1C#N 1124722067 UAXOFIKZGOEBCU-JQWIXIFHSA-N 323.353 -0.759 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCNC[C@H](O)CN1CCCC1=O 1126366036 PSKCBZZRRSFXDH-SWLSCSKDSA-N 313.398 -0.997 30 20 DBED C#CCO[C@H](C)C(=O)NCCN[C@H](C)C(=O)NCC(F)(F)F 1127052043 QBILQONMUZUGCA-NXEZZACHSA-N 323.315 -0.203 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NCCN[C@@H](C)C(=O)NC(N)=O 1127612715 AXGZBPXMBJGROR-AXFHLTTASA-N 312.370 -0.743 30 20 DBED CC#CCN[C@@H]1CN(C(=O)CN(C)C(C)=O)C[C@@H]1n1ccnn1 1129613788 XKAZIADXCYBTSX-KGLIPLIRSA-N 318.381 -0.879 30 20 DBED CNC(=O)CN[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1c1cn(C)cn1 1130531763 FOEMPKZPLMURPB-GMXVVIOVSA-N 318.381 -0.790 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cc2cnccc2o1 1130871967 KRFLFGYDGGNVGW-UHFFFAOYSA-N 300.318 -0.103 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1ccn2ccnc2c1 1131268211 JSJRNKWNTVOXBX-GFCCVEGCSA-N 313.361 -0.208 30 20 DBED C#CCCNC[C@H]1CN(C(=O)Cn2c(O)nnc2O)CC[C@H]1C 1133271913 VLHSPGNPDHWRCU-NEPJUHHUSA-N 321.381 -0.213 30 20 DBED C[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C[C@H]1CNCC#N 1133305591 BUHBUWUMKUEOCT-GHMZBOCLSA-N 307.354 -0.864 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)c1nc2ncccn2n1 1135550426 IWHPZAAUVMLRAV-SNVBAGLBSA-N 317.353 -0.866 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC2(CN(C(=O)[C@@H](C)OC)C2)C1 1147080153 WTAMCFHHPQCSIR-QWHCGFSZSA-N 307.394 -0.307 30 20 DBED CCOCCOCCCC(=O)NCCNCC(=O)NCC#N 1147762208 UGMZSRIWOLPBLF-UHFFFAOYSA-N 314.386 -0.835 30 20 DBED CC(=O)N1CC[C@](C)(C(=O)NC[C@H]2CN(CC#N)CCCO2)C1 1150553542 LYLKTQIDQKMRIR-HOCLYGCPSA-N 322.409 -0.024 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)C2(C(=O)N(C)C)CC2)C1 1150562997 WDDVDTPHRVFQCO-ZDUSSCGKSA-N 307.394 -0.305 30 20 DBED C=C(C)CN1CCCO[C@@H](CNC(=O)CS(=O)(=O)NC)C1 1150731889 UDPSTALYBAECMY-LBPRGKRZSA-N 319.427 -0.681 30 20 DBED C[C@@H](C(=O)NC[C@H]1CN(CC#N)CCCO1)N1CCOCC1 1150841966 OXENCVRJOLXKOE-KBPBESRZSA-N 310.398 -0.562 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1cccnc1N(C)C 1151043629 IAWIHMWXSFAVGA-UHFFFAOYSA-N 305.382 -0.231 30 20 DBED N#CCNC(=O)CNCCNC(=O)CN1CCc2ccccc21 1151418649 BSRJYWLOINMGEU-UHFFFAOYSA-N 315.377 -0.605 30 20 DBED C#CCNC(=O)CC(=O)NCCCN[C@H](C)c1cnccn1 1156847695 FRORXUSQVBPTTQ-GFCCVEGCSA-N 303.366 -0.227 30 20 DBED C#CCNC(=O)CN(C)C[C@H]1CCCCN1C(=O)c1nc[nH]n1 1158611884 PWQGHORBDGJEPW-GFCCVEGCSA-N 318.381 -0.519 30 20 DBED N#CCNC(=O)CNCC1(CCNC(=O)c2ncc[nH]2)CC1 1164454012 GIOUOLVEGOMBRG-UHFFFAOYSA-N 304.354 -0.461 30 20 DBED COCC#CCNCC1(CCNC(=O)Cn2cncn2)CC1 1168014783 WXADIMUIZRHZOL-UHFFFAOYSA-N 305.382 -0.196 30 20 DBED C#CCNCCCC[C@H](C)NC(=O)CCNS(C)(=O)=O 1171075976 FKCYPCISQGGCIX-LBPRGKRZSA-N 303.428 -0.177 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)CCC(=O)NCC)C[C@@H]21 1176962575 KGGIQRZDLZKDKW-UONOGXRCSA-N 307.394 -0.162 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2ccc(F)nc2)C1 1181664058 YWHBILQMMCJGIQ-GFCCVEGCSA-N 304.325 -0.226 30 20 DBED NC(=O)CNC[C@@H]1CN(C(=O)C#CC2CC2)CC12CCOCC2 1186367580 AEMAXSUIVVNARL-CQSZACIVSA-N 319.405 -0.270 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 1186555810 XYWPGGHFTPCDCV-OAHLLOKOSA-N 320.437 -0.342 30 20 DBED CC#CCN1C[C@@H]2CCN(C(=O)[C@@H](C)NC(=O)COC)[C@@H]2C1 1187996151 BLRRXDBAGRLCOD-HZSPNIEDSA-N 307.394 -0.307 30 20 DBED C#CCN1CCC(C(=O)N2CC[C@@H](NC[C@@H](O)COC)C2)CC1 1188092289 VHPDYJVWJVZFPG-HZPDHXFCSA-N 323.437 -0.471 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2ccc(O)nn2)C1 1188727305 UOUBSMSDSPXIFU-LLVKDONJSA-N 317.349 -0.922 30 20 DBED C=CCOCC(=O)N1CC[C@H](N(C)C[C@H](O)Cn2cccn2)C1 1189372346 XFFQUQMTWDAWCS-GJZGRUSLSA-N 322.409 -0.021 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2cnn(C)c2N)C1 1189751947 LBANGXNVUJNCPZ-NSHDSACASA-N 320.397 -0.549 30 20 DBED C=C(Br)CN1C[C@@H](O)[C@H](NC(=O)CNC(C)=O)C1 1190676153 KJZZTUVYXZMPSN-NXEZZACHSA-N 320.187 -0.808 30 20 DBED N#CCSCC(=O)N[C@@H]1CN(CCOC2CCC2)C[C@H]1O 1191162364 SBMMWSWKUDOXEJ-CHWSQXEVSA-N 313.423 -0.026 30 20 DBED Cc1cc(C(=O)N2CCCN(CC(=O)NCC#N)CC2)no1 1194733513 SUUBJRRLYBKKCO-UHFFFAOYSA-N 305.338 -0.229 30 20 DBED N#CCNC(=O)CN1CCCN(C(=O)[C@H]2CC2(F)F)CC1 1195728018 RRUXIMYCNFMCTK-SNVBAGLBSA-N 300.309 -0.184 30 20 DBED C=CCN1CCCN(C(=O)CN(C)S(=O)(=O)N(C)C)CC1 1195798705 LORONAZYCWFKLK-UHFFFAOYSA-N 318.443 -0.555 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)C2(CCC)CC2)C1 1196012298 OJUNOGRWMXCCIQ-MGPQQGTHSA-N 321.421 -0.134 30 20 DBED C=C[C@@H](C(=O)N[C@@H]1CN(CC(N)=O)C[C@H]1O)c1ccccc1 1198955476 DTCISERWHRFYFS-MGPQQGTHSA-N 303.362 -0.397 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)c2nccnc2N)CC1 1199878443 SSMWBRIABIPMAH-UHFFFAOYSA-N 316.365 -0.998 30 20 DBED C#CCCNC1CCN(C(=O)Cn2ccc(O)nc2=O)CC1 1201479560 DRSOURGWURSFQB-UHFFFAOYSA-N 304.350 -0.447 30 20 DBED COc1cncc(C(=O)N2CCCO[C@@H](CNCC#N)C2)n1 1201569356 ONICZECPKCAQLC-NSHDSACASA-N 305.338 -0.171 30 20 DBED C#CCCNCC1CCN(C(=O)CN(C)S(C)(=O)=O)CC1 1205418286 IEKYDLXQCGAUSK-UHFFFAOYSA-N 315.439 -0.271 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2cnn(C)n2)C[C@H]1C 1206957543 CZYPBYQAVTZFDG-TZMCWYRMSA-N 305.382 -0.209 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCN(C(=O)c2cc[n+]([O-])cc2)C1 1207149971 ASUJUXGSUYUZCF-CYBMUJFWSA-N 317.349 -0.846 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)[C@H]2CCCCN2C)[C@H](C)C1 1207709583 ZDVOCBDIIITFRQ-RBSFLKMASA-N 320.437 -0.343 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@@H](NCc2nncn2C)C1 1207869044 CBFMVIDAUCTKGM-GFCCVEGCSA-N 318.381 -0.965 30 20 DBED C#CCCN1C[C@@H](NC(=O)CCN2C(=O)CCC2=O)[C@H](C)C1 1207902198 QKDQGNKAMXWANT-CHWSQXEVSA-N 305.378 -0.015 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)c2cnnn2CC)C1 1207983600 SDBAXOGDPQNPRM-GFCCVEGCSA-N 318.381 -0.758 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC[C@H](NCC(=O)NC(=O)NC)C1 1208018970 WXJRRTKTFPYMMQ-RYUDHWBXSA-N 324.381 -0.939 30 20 DBED CC(C)[C@@H](C(=O)N1CCC[C@@H](NCC(=O)NCC#N)C1)N(C)C 1208372712 AEPNTEWQKGSLPJ-HIFRSBDPSA-N 323.441 -0.207 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2nc(C)c[nH]2)[C@H](C)C1 1209298700 BSSSTXKVCLHKHJ-ZYHUDNBSSA-N 303.366 -0.482 30 20 DBED C=CCCN[C@@H]1CCCN(C(=O)[C@H](CCC(N)=O)NC(C)=O)C1 1210154160 HWOVBOOJJBREJU-KGLIPLIRSA-N 324.425 -0.087 30 20 DBED Cc1nccc(C(=O)N2CCC[C@H](NCC(=O)NCC#N)C2)n1 1211113330 SCZMWTJYNRVJLD-LBPRGKRZSA-N 316.365 -0.381 30 20 DBED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)CCSC 1211816771 FXWGTNFPZJYCIO-GHMZBOCLSA-N 314.411 -0.805 30 20 DBED C#CCN1C[C@@H](NC(=O)CNC(=O)c2ccncc2)[C@H](OC)C1 1212311535 RCCCQDOCURMGFD-ZIAGYGMSSA-N 316.361 -0.740 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@H](C(C)C)N1CCCC1=O 1213979648 CHNPUPSAKALTHT-NFAWXSAZSA-N 322.409 -0.028 30 20 DBED CC(C)C#CC(=O)N1CCO[C@@H]2CN(Cc3cn(C)nn3)C[C@@H]21 1217852308 JOMYFBFYQBYRFW-LSDHHAIUSA-N 317.393 -0.114 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)Cc2ccc(C)o2)C1 1219471092 QPFFZBDWNXWIPA-CABCVRRESA-N 306.362 -0.058 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(Cc2cnoc2C)C[C@@H]1O 1219536591 UVDPEGDCJNFBJM-VNHYZAJKSA-N 309.366 -0.029 30 20 DBED C=CCCCN1C[C@H](O)[C@H](NC(=O)[C@H](C)N2C(=O)CCC2=O)C1 1219746162 LUHFGCGROQIBQY-XQQFMLRXSA-N 323.393 -0.349 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)c2cc(OC)ccn2)C1 1220116693 DOGWRBSIEQYYRO-CABCVRRESA-N 319.361 -0.485 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)CNC(=O)c2ccc(F)cc2)C1 1220904501 NXICWBGRHIYMSW-KGLIPLIRSA-N 321.352 -0.097 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(CC(=O)N(C)CC)C[C@@H]1O 1221141761 YZANYOVVNSOIMO-UPJWGTAASA-N 313.398 -0.783 30 20 DBED CNC(=O)NCC(=O)N1CC[C@H]2CCN(CC#CCOC)[C@H]2C1 1222828428 SMCYBZXBJFZIDH-KGLIPLIRSA-N 322.409 -0.512 30 20 DBED C[C@@H]1CO[C@H](C(=O)NCC2CCN(CC(=O)NCC#N)CC2)C1 1223855287 VIRYYXQMABDFJE-JSGCOSHPSA-N 322.409 -0.121 30 20 DBED COCC#CCN1CCC(CNC(=O)[C@H]2CC[C@@H]2C(N)=O)CC1 1224013988 OXYXSIXDYPXTTK-GJZGRUSLSA-N 321.421 -0.024 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)NC1CCN(CCO)CC1 1230361792 YRHJEKGAUDXEQS-UHFFFAOYSA-N 312.414 -0.177 30 20 DBED C=C(C)CCN1CC[C@H](NC(=O)C[C@H](NC(C)=O)C(N)=O)C1 1269069408 NDWOTYBLPJZBBD-STQMWFEESA-N 310.398 -0.477 30 20 DBED C#CCCCNC(=O)C(=O)Nc1ccn(CC(=O)N(C)C)n1 1320792866 LLYOYBUXFHFFFB-UHFFFAOYSA-N 305.338 -0.561 30 20 DBED C[C@@H]1CCCN(CCNC(=O)C(=O)N2CCO[C@H](C#N)C2)C1 1321508982 NMJRBKZQNPFVKN-CHWSQXEVSA-N 308.382 -0.415 30 20 DBED CS(=O)(=O)CCNC(=O)C(=O)NCc1ccc(C#N)cc1 1321791181 KPQGBOICEQTTOY-UHFFFAOYSA-N 309.347 -0.665 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@H](CC)CSC 1323762386 KYLSHYVXABIWSQ-SNVBAGLBSA-N 322.452 -0.039 30 20 DBED CC#CCS(=O)(=O)NC(=O)C[C@H]1CCCS(=O)(=O)C1 1324266092 MSWWNJGEUQOUTI-SNVBAGLBSA-N 307.393 -0.329 30 20 DBED CN(CCN1CCOCC1)C(=O)C(=O)Nc1ccc(C#N)cn1 1324288329 JMTZEDFXTUKXAJ-UHFFFAOYSA-N 317.349 -0.318 30 20 DBED C#CCCCCNC(=O)C(=O)N1CCN(CC(=O)N(C)C)CC1 1324808318 HKDMEGSICOPDRF-UHFFFAOYSA-N 322.409 -0.862 30 20 DBED C#CCNC(=O)C1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 1325253636 QNZONDVLEPHVMZ-UHFFFAOYSA-N 319.321 -0.221 30 20 DBED Cc1cc(NC(=O)C(=O)N[C@@H]2CNC(=O)C2)n(CCC#N)n1 1326089368 BHCBPZVDSRTPHQ-VIFPVBQESA-N 304.310 -0.952 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2nc(C)cs2)CC1 1326827063 BIIUAJIMBHEOER-UHFFFAOYSA-N 306.391 -0.041 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CC[C@H](NC(=O)NC2CC2)C1 1327259701 UTPUPVUSEJBKMZ-PWSUYJOCSA-N 324.381 -0.634 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N1CCC(NC(C)=O)CC1 1331528730 ONRPGVTUDHOBJN-CYBMUJFWSA-N 323.393 -0.342 30 20 DBED CC#CCCNC(=O)C(=O)NCCCN1CCCS1(=O)=O 1332850359 NMZDQCVTFMVOBD-UHFFFAOYSA-N 315.395 -0.942 30 20 DBED C=CCOCCn1nnnc1N1CC[C@H](N2CCOC2=O)C1 1334173591 RFLLDKYCRGDZRA-NSHDSACASA-N 308.342 -0.093 30 20 DBED C=CCn1cc(Cn2nnnc2N(C)CCn2cccn2)nn1 1336153803 ASIINEGCCAIBQR-UHFFFAOYSA-N 314.357 -0.168 30 20 DBED C#CCNC(=O)CCNC[C@@H]1CCC[C@H]1NS(C)(=O)=O 1336810298 HFERJBLZZDGUNM-NWDGAFQWSA-N 301.412 -0.567 30 20 DBED C[C@H](OC(=O)CCCC#N)C(=O)N[C@H]1CCS(=O)(=O)C1 1347436062 ZCURZVVHDHTUMW-UWVGGRQHSA-N 302.352 -0.085 30 20 DBED C=CCn1cc(CN2C(=O)N[C@@H](Cc3cnc[nH]3)C2=O)nn1 1348958560 VHISDQKOYZRJOD-NSHDSACASA-N 301.310 -0.150 30 20 DBED CN1CC[C@H]1CNC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1354907193 WKMXINUGRKNNKE-QWHCGFSZSA-N 305.382 -0.995 30 20 DBED N#Cc1cn(CCC(=O)NCc2nccs2)c(=O)nc1O 1361842561 ACOPFPKVDDKSRX-UHFFFAOYSA-N 305.319 -0.016 30 20 DBED N#Cc1cn(CCC(=O)N[C@@H]2CCCC[C@H]2O)c(=O)nc1O 1362979700 TZAIKAWCYCGCJB-GHMZBOCLSA-N 306.322 -0.370 30 20 DBED N#CCc1ccnc(NC(=O)NC[C@@H](O)Cn2ccnn2)c1 1364410089 SJUXAUPJXBCDFG-LLVKDONJSA-N 301.310 -0.078 30 20 DBED CNS(=O)(=O)[C@H]1CCN(S(=O)(=O)CC(C)(C)CC#N)C1 1365382013 KKHVWKMMJGGZTR-JTQLQIEISA-N 323.440 -0.120 30 20 DBED C=C(Cl)CN1CC(O)(CNC(=O)[C@H]2COCCN2CC)C1 1368297057 AUFQFGLGSCBABW-GFCCVEGCSA-N 317.817 -0.378 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CCCN(C(=O)c2nccnc2N)C1 1387647963 KATDMRIPQYQAJE-ZJUUUORDSA-N 302.338 -0.061 30 20 DBED C[C@H](C#N)C(=O)N(C)CCN(C)C(=O)[C@H]1CCCCN1C(N)=O 1391879609 BSQJRFVGOCZJJS-VXGBXAGGSA-N 323.397 -0.004 30 20 DBED CCS(=O)(=O)CC(=O)N(C)C1CC(NC(=O)[C@@H](C)C#N)C1 1405834735 UOVVBHTVSJHHKQ-WHXUTIOJSA-N 315.395 -0.314 30 20 DBED Cn1c(N)c(C(=O)CN2CCC[C@@H](C#N)C2)c(=O)n(C)c1=O 1413063565 QLYBZEPFUQBVTQ-VIFPVBQESA-N 305.338 -0.916 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@H]1C[C@@H](C)OC1=O 1413355757 NDBSQCWANYHQFW-ZJUUUORDSA-N 305.356 -0.613 30 20 DBED CC(C)C[C@H](CNC(=O)[C@H](C)C#N)NC(=O)Cn1ncnn1 1416511130 NBQPTBWEXRIMJH-GHMZBOCLSA-N 307.358 -0.520 30 20 DBED COCCn1cc(C(=O)NCC2(NC(=O)[C@H](C)C#N)CC2)nn1 1417141137 OJZSEIFAGSJTCG-SNVBAGLBSA-N 320.353 -0.537 30 20 DBED N#Cc1cn(CCC(=O)N2CC[C@@H]3OCC[C@@H]3C2)c(=O)nc1O 1418178923 VADNFCWZZQPBSJ-PWSUYJOCSA-N 318.333 -0.152 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CN(C)CCO2)C1 1429072366 MULHZBRLEZJRQE-NDBYEHHHSA-N 308.382 -0.512 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CCN(C(=O)CCc2nc[nH]n2)C1 1430833573 YSZQSRLJWLMDKU-GHMZBOCLSA-N 304.354 -0.138 30 20 DBED C[C@H](C#N)C(=O)NCC(C)(C)CN(C)C(=O)CS(C)(=O)=O 1442582289 PMUOTKOIGDUDGF-SNVBAGLBSA-N 317.411 -0.209 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)N2C[C@H](O)[C@@H](CO)C2)cc1 1451188491 RHMFICVJNXGXEO-OLZOCXBDSA-N 303.318 -0.900 30 20 DBED N#Cc1ccsc1NC(=O)Cn1c(=O)[nH]cc(C#N)c1=O 1473047601 CHNXZJLLGIFNPN-UHFFFAOYSA-N 301.287 -0.020 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H](O)CNCc1cnn[nH]1 1575112572 VINZXYWHYLLDMM-UPJWGTAASA-N 309.370 -0.695 30 20 DBED C#CCN(CC(=O)O)C(=O)C1=C(C)N(C)c2nnnn2[C@H]1C 1588400387 WRBXQLROOQLIFD-VIFPVBQESA-N 304.310 -0.496 30 20 DBED CCN(CCC(=O)NC)c1cnc(-c2nn[nH]n2)c(C#N)n1 1590692081 UZOCPJGLRUYZCW-UHFFFAOYSA-N 301.314 -0.509 30 20 DBED N#Cc1c(-c2nn[nH]n2)nc(N)n1C[C@@H]1CC2(CC2)C(=O)O1 1592682149 QWTRQMOJWKVEBY-LURJTMIESA-N 300.282 -0.387 30 20 DBED CN(C)CCN1CCN(C(=O)[C@](C)(C#N)CC(=O)O)CC1=O 1593702058 QYBASFDFPYRDFD-AWEZNQCLSA-N 310.354 -0.777 30 20 DBED COC[C@]1(C(=O)O)CN(S(=O)(=O)CC(C)(C)C#N)CCO1 1593984613 RQXJDGOSVURIGZ-LBPRGKRZSA-N 320.367 -0.332 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)C(=O)Nc2cccc(C(=O)O)n2)C1 1601062642 LIHYNQBKFYXOMY-CQSZACIVSA-N 318.289 -0.405 30 20 DBED N#CC[C@H]1CCCN(C(=O)C(=O)N2CCO[C@H](CC(=O)O)C2)C1 1601063437 VLYJIJQDSQBVAA-VXGBXAGGSA-N 323.349 -0.159 30 20 DBED CC(=O)c1cn(C2CN(C(=O)[C@](C)(C#N)CC(=O)O)C2)nn1 1602778423 IKGNOOJUKGLKKY-ZDUSSCGKSA-N 305.294 -0.131 30 20 DBED N#Cc1cccc([C@H](C(=O)O)N2CCN(CC(N)=O)C(=O)C2)c1 1608214803 FIZQQSCNORARNX-CQSZACIVSA-N 316.317 -0.687 30 20 DBED C#C[C@@H](NS(=O)(=O)c1cnn(CC(=O)O)c1)[C@@H]1CCCO1 1609058355 XPQJMXAKGGKGHW-MNOVXSKESA-N 313.335 -0.573 30 20 DBED C=CC1CCN(C(=O)C(=O)N2C[C@@H](O)C[C@@H](C(=O)O)C2)CC1 1609287110 FOJXYBWLPJGZRD-NEPJUHHUSA-N 310.350 -0.295 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)Cn2nccc2C)C1 1690678648 KXZVSQPUNAJKNU-KGLIPLIRSA-N 317.393 -0.480 30 20 DBED C#CCNC(=O)CN[C@H](C)CNC(=O)c1cccnc1OCC 1752915894 DQWPTSUSAYNBAE-GFCCVEGCSA-N 318.377 -0.062 30 20 DBED C#CCCN(C)CCNC(=O)C[C@@]1(C)CCS(=O)(=O)N1 1753071731 ARRPAFJPQYINNA-CYBMUJFWSA-N 301.412 -0.470 30 20 DBED C#CCNC(=O)CN1CCO[C@H](CNC(=O)c2cc[nH]c2)C1 1753648424 GCZCSWFPRMKZOJ-CYBMUJFWSA-N 304.350 -0.805 30 20 DBED C#CCNC(=O)CNC[C@@H]1CCC[C@H]1NC(=O)c1csnn1 1753891372 KHCVASWIBKNOGP-WDEREUQCSA-N 321.406 -0.224 30 20 DBED C=CC(C)(C)C(=O)N1CCO[C@@H](CNCC(=O)NCC#N)C1 1755007629 YSKQBVYZGGUNCC-LBPRGKRZSA-N 308.382 -0.345 30 20 DBED CC1(C(=O)N[C@@H]2COC3(C2)CN(CC(=O)NCC#N)C3)CCC1 1755063143 KBYHRDMQSURVET-LBPRGKRZSA-N 320.393 -0.224 30 20 DBED CC(C)C[C@@H](C(N)=O)C(=O)N1CCC[C@@](CO)(NCC#N)C1 1755092554 MZJUZTPPPRGCDD-SWLSCSKDSA-N 310.398 -0.399 30 20 DBED C=CCOCC(=O)NC1(CNCc2cn(C)nn2)CCOCC1 1755093898 DSQPRPUDXPKYTQ-UHFFFAOYSA-N 323.397 -0.227 30 20 DBED C#CCCN1CC(N2CCN(C(=O)CC(=O)NCC)CC2)C1 1755144502 HQUCTUIMUKBYIJ-UHFFFAOYSA-N 306.410 -0.636 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@H]1C[C@H](NC(=O)c2ccn(C)n2)C1 1755483845 YIZMDUJHRDMNLK-AVGNSLFASA-N 317.393 -0.344 30 20 DBED CC#CCN(C)C1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 1755533062 HJSHYHGRWJCYSC-UONOGXRCSA-N 307.394 -0.035 30 20 DBED C#CCN(C)C[C@H](O)CN(C)C(=O)c1cnc2[nH]c(O)nc2c1 1755802502 WILRDRZWHQJIGU-NSHDSACASA-N 317.349 -0.339 30 20 DBED C[C@H](CN(C)C(=O)C#CC1CC1)NC(=O)[C@]1(C)CNC(=O)C1 1756450965 PAVSIZUZUMGATG-BZNIZROVSA-N 305.378 -0.111 30 20 DBED C=CCOCC(=O)NC[C@@H](O)CN(C)C(=O)c1n[nH]cc1C 1756662332 KDUYZWSZULZYAK-LLVKDONJSA-N 310.354 -0.530 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H]1CN(C)C(=O)C#CC1CC1 1757288988 FJGHPJGTHOYHGE-AWEZNQCLSA-N 315.373 -0.401 30 20 DBED CO[C@H](CS(=O)(=O)N[C@@H](CCC#N)C(=O)O)[C@H]1CCOC1 1777151764 KTHSZAYVCCAQAR-GARJFASQSA-N 320.367 -0.286 30 20 DBED N#CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCOC3)[C@H]2C1 1791752254 FIWKSWKWGYFPDG-XUXIUFHCSA-N 321.377 -0.084 30 20 DBED C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c[nH]c(=O)cn1 1799355791 AMGWOONZYAWTHI-JGPRNRPPSA-N 300.318 -0.345 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)n1cccn1)C2 1800456013 HCIQTZAISPTDSJ-XPCVCDNBSA-N 316.361 -0.333 30 20 DBED C#CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CNC(N)=O)CC1 1831329800 WVFUPOSWQDWOJH-CYBMUJFWSA-N 320.393 -0.092 30 20 DBED O=C1CC[C@H](C(=O)N2CC3(CCCN3C(=O)C#CC3CC3)C2)N1 1841540757 SUBCWRGTBORRRF-CYBMUJFWSA-N 315.373 -0.118 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N1CCN(C(=O)COC)CC1 47997358 VKCGAVUNJPYFRL-LLVKDONJSA-N 312.370 -0.823 30 20 DBED Cc1oc(NC(=O)CN2CCN(C(=O)CO)CC2)c(C#N)c1C 89423039 MMQCUEWCYIDSTF-UHFFFAOYSA-N 320.349 -0.157 30 20 DBED C/N=C(/NCC1(O)CCC1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 262785773 MKAYNMYURLBSRX-ZDUSSCGKSA-N 324.425 -0.200 30 20 DBED N#C[C@@H]1COCCN1C(=O)CNS(=O)(=O)c1cccs1 266038872 AHRZCGYPSRXVSY-SECBINFHSA-N 315.376 -0.223 30 20 DBED C#CCNC(=O)CN1CCN(c2cc(OCC)ncn2)CC1 274638996 CTDGDSWKOKNCGG-UHFFFAOYSA-N 303.366 -0.253 30 20 DBED C=CCCOCCNC(=O)C(=O)N(C)[C@H]1CCN(CC=C)C1=O 289373471 JWDYUJCGQTYAPU-ZDUSSCGKSA-N 323.393 -0.059 30 20 DBED COCCN1CN(/C(O)=N/[C@@H]2CCN(C(C)C)C2=O)CC1=O 328665771 CGIFSSCFHKWHGY-LLVKDONJSA-N 312.370 -0.342 30 20 DBED C[C@@H]1CS(=O)(=O)CCN1C/C(O)=N/CC(=O)N1CCCC1 329723462 BHIRUDNKXOLDHO-LLVKDONJSA-N 317.411 -0.316 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)NCCCS(C)(=O)=O 336909607 HRGYNBDQBIPXTQ-JTQLQIEISA-N 311.429 -0.263 30 20 DBED CCN(CCC#N)S(=O)(=O)NC[C@H]1CC[C@H](C(N)=O)O1 336947649 PPLWKSIBXGDEFB-NXEZZACHSA-N 304.372 -0.911 30 20 DBED C=CCOC[C@H](NC(=O)c1cc(O)nc(N(C)C)n1)C(=O)OC 338915180 NWDDEAMTXFBHIL-JTQLQIEISA-N 324.337 -0.278 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H]2CCC[C@@H]2OC)C1=O 341618339 XPAXCJTXUXSAJA-QWRGUYRKSA-N 323.349 -0.106 30 20 DBED C[C@@H](NC(=O)CNc1ccc(C#N)cn1)C(=O)N1CCCC1 343779392 JLYMILJFLBPDGZ-LLVKDONJSA-N 301.350 0.492 30 20 DBED C=CC[C@H](CO)NC(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1cnn(C)c1 343792278 GVPNFANAVKBQGP-BNOWGMLFSA-N 322.365 -0.628 30 20 DBED C=CCNC(=O)CNC(=O)NC[C@H]1CCCCS1(=O)=O 343928270 NTYXVTFWZBUALF-SNVBAGLBSA-N 303.384 -0.445 30 20 DBED N#CCNC(=O)CNC(=O)c1ccnc(O[C@@H]2CCOC2)c1 344167006 SPVUQXUBPPIMBA-LLVKDONJSA-N 304.306 -0.381 30 20 DBED N#CCCCCS(=O)(=O)NCCNC(=O)c1cnccn1 345128484 MPDNWRUDVMOADC-UHFFFAOYSA-N 311.367 -0.180 30 20 DBED N#CCC1(O)CN(C(=O)CNC(=O)Cc2cccc(F)c2)C1 352209692 DJSRYNIOBRVVEM-UHFFFAOYSA-N 305.309 -0.029 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)NC[C@@H]1CN(C2CC2)CCO1 353002537 VQTSKLLCJADXLD-DGCLKSJQSA-N 310.398 -0.161 30 20 DBED COCCN1C[C@@H](C(=O)NC[C@@H]2CCCN(CC#N)C2)CC1=O 359433070 VPZLAODTZRVDPR-KBPBESRZSA-N 322.409 -0.167 30 20 DBED CNC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(F)cc1C#N 360151565 WAKVWQLPKGVNEW-SECBINFHSA-N 301.299 -0.917 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H](CO)[C@@H]2C)C1=O 414089467 ZDQBKXKEBXVDGC-QWRGUYRKSA-N 323.349 -0.417 30 20 DBED CCCN(C)C(=O)[C@H]1CSCN1C(=O)Cn1cnc(C#N)n1 426421669 RJWOTXKCRBUMDG-SNVBAGLBSA-N 322.394 -0.080 30 20 DBED COC(=O)Cn1cnc(NS(=O)(=O)c2ccc(C#N)nc2)n1 437304564 MJLLDYINSYRUAO-UHFFFAOYSA-N 322.306 -0.481 30 20 DBED C#CCN1CCN(C(=O)CN2C(=O)CC3(CCC3)C2=O)CC1 491618609 ABBIJCNVXFTRRD-UHFFFAOYSA-N 303.362 -0.307 30 20 DBED C#CCN1CCN(C(=O)CSc2nncn2CCOC)CC1 491632701 SFHLXTIIFVXAID-UHFFFAOYSA-N 323.422 -0.206 30 20 DBED C=CCCn1cc(C(=O)N[C@@H]2CCc3nnnn3CC2)nn1 516175475 BKKIESDPMDWHRA-SNVBAGLBSA-N 302.342 -0.024 30 20 DBED COC(=O)C[C@H](N)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 516865628 SFKZXTPGNFTTHS-LBPRGKRZSA-N 317.349 -0.508 30 20 DBED COc1cc(C#N)ccc1NC(=O)C(=O)NCCn1cncn1 546708496 DUJJJDFNXZPIED-UHFFFAOYSA-N 314.305 -0.087 30 20 DBED C[C@@H](CC(=O)O)N(CCO)S(=O)(=O)c1cncc(C#N)c1 558593150 TUOBWFRAIJJAFP-VIFPVBQESA-N 313.335 -0.201 30 20 DBED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CC[C@H](CO)C2)c1 589464657 UQRAOLJXNVTUOR-LBPRGKRZSA-N 323.374 -0.323 30 20 DBED CC#CC[C@@H](CO)NS(=O)(=O)N1CCC[C@H]1C(=O)OCC 592110385 CGXUNSPBMPWLGF-RYUDHWBXSA-N 318.395 -0.377 30 20 DBED COC[C@H]1C[C@@H](O)CN1C(=O)C(=O)Nc1ccc(C#N)c(C)n1 593689126 VJXONISHYHEAGA-VXGBXAGGSA-N 318.333 -0.192 30 20 DBED N#CCNS(=O)(=O)CCCCS(=O)(=O)N1CC=CCC1 594637998 RDBDXQOMXCPDMT-UHFFFAOYSA-N 321.424 -0.199 30 20 DBED COCCN(CC#N)C(=O)CNS(=O)(=O)c1cccnc1 597755431 UHQQYOLDWBYENC-UHFFFAOYSA-N 312.351 -0.642 30 20 DBED N#Cc1ncn(CCNC(=O)[C@]2(C3CCCC3)CCNC2=O)n1 599931534 DJNAAMQDLSSPTE-HNNXBMFYSA-N 316.365 -0.038 30 20 DBED CN1CCN(S(=O)(=O)c2ccc(C#N)cc2F)[C@@H](CO)C1 601468890 HQNJCWUQGZPYRQ-LLVKDONJSA-N 313.354 -0.006 30 20 DBED C=CCOCC(=O)NS(=O)(=O)c1cccc(-n2cnnn2)c1 729887361 UAASLQJACMXBJH-UHFFFAOYSA-N 323.334 -0.330 30 20 DBED C#Cc1ccc(C(=O)NCC(=O)NCCN2CCOCC2)nc1 732157521 WCDQEKSYKFOPJH-UHFFFAOYSA-N 316.361 -0.759 30 20 DBED CN1C[C@H](NC(=O)NCCNc2ccc(C#N)cn2)CC1=O 750635584 SYHLSMIISNHQSO-LLVKDONJSA-N 302.338 -0.105 30 20 DBED O=S1(=O)CCC(=NNc2nccc(N3CCOCC3)n2)C1 762607275 MZVKXHFCPHLXGU-UHFFFAOYSA-N 311.367 -0.100 30 20 DBED CCC(C=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)CC 771896685 GKNKORJKDBNHTI-UHFFFAOYSA-N 316.383 -0.216 30 20 DBED CC(C)(C#N)CS(=O)(=O)NC(=O)[C@H]1CCCCS1(=O)=O 791866789 ORLKWPXXSSYRJC-SECBINFHSA-N 322.408 -0.051 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)O[C@@H]2CCC(=O)NC2=O)cc1 798609883 PCLXMQRDRAWKQR-LLVKDONJSA-N 315.285 -0.364 30 20 DBED C=CCN1CC[C@@H](N(C)CN2C(=O)C(=O)N(CCC)C2=O)C1=O 799144236 WSXFZMQCMGWHBM-LLVKDONJSA-N 322.365 -0.137 30 20 DBED C#C[C@H](NC(=O)C(=O)NCCC1(C)OCCO1)[C@@H]1CCCO1 806376597 XYMQHNYMWLHOPL-RYUDHWBXSA-N 310.350 -0.447 30 20 DBED COc1ncc(C(=O)NS(=O)(=O)c2cncc(C#N)c2)cn1 813985207 QVBCBRVCLLJUHX-UHFFFAOYSA-N 319.302 -0.129 30 20 DBED O=C1NC(=O)C(=NNc2nc(-c3ccccc3)no2)C(=O)N1 814221171 SCYBMEBAJHKUEN-UHFFFAOYSA-N 300.234 -0.130 30 20 DBED COCC(=O)N[C@H](C(=O)N[C@@H]1CCCN(O)C1=O)C(C)C 816756346 VSIYKHUTYGKWAO-KOLCDFICSA-N 301.343 -0.730 30 20 DBED CNS(=O)(=O)C[C@H]1CCCN1C(=O)[C@](C)(C#N)CC(=O)O 820641298 PHLBBHUWUOMIGC-SKDRFNHKSA-N 317.367 -0.469 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2C[C@H]2OCC)CC1 831556480 OVBQKDXQILACRA-NWDGAFQWSA-N 315.395 -0.977 30 20 DBED N#CCN(CC(=O)O)C(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1 833066467 ZRZAYWLTSRXLDV-LLVKDONJSA-N 324.318 -0.847 30 20 DBED C#CCNS(=O)(=O)N1CCN([C@H](CCCC)C(=O)O)CC1 833365888 VXMJMAGAIRQOPU-GFCCVEGCSA-N 317.411 -0.285 30 20 DBED C#C[C@@H](NC(=O)C(=O)N1C[C@@H](C)[C@H](C(=O)OC)C1)[C@H]1CCCO1 834816943 CUDPROIDQIJGSH-FDYHWXHSSA-N 322.361 -0.449 30 20 DBED N#Cc1cc(S(N)(=O)=O)ccc1NCCN1CC[C@@H](O)C1 858812735 RVKSAVYMJQGMEW-LLVKDONJSA-N 310.379 -0.316 30 20 DBED COC(=O)[C@@H]1CC[C@@H](C(=O)OC)CN1CC(=O)NCCC#N 859597029 LAOCVCQWNOVSTF-MNOVXSKESA-N 311.338 -0.557 30 20 DBED C=CCOC[C@H](NC(=O)/C=C/CN1CCOCC1)C(=O)OC 867968966 JETQGWNPNKLWNJ-IHVVCDCBSA-N 312.366 -0.265 30 20 DBED C#CCN1CCC[C@H](NC(=O)NC[C@@H]2CCS(=O)(=O)C2)C1 884048405 JWLYFKJAFBLZAQ-STQMWFEESA-N 313.423 -0.182 30 20 DBED N#C[C@@H]1CN(C(=O)NC[C@@H]2CNCCCO2)CCN1C1CC1 892167148 CCYXSCCXGKVEGK-KGLIPLIRSA-N 307.398 -0.253 30 20 DBED C=C1CN(C(=O)C2(C(=O)N3CC(=C)C3)C[C@@H]2S(C)(=O)=O)C1 912445617 AERCDXKQNFQBBG-NSHDSACASA-N 310.375 -0.414 30 20 DBED CS(=O)(=O)N1CCN(CC(=O)N2CCC[C@H](C#N)C2)CC1 928220249 GLCCUNLUXYINBQ-GFCCVEGCSA-N 314.411 -0.674 30 20 DBED C#Cc1cncc(C(=O)N[C@H]2CCN(C(=O)c3cnn(C)n3)C2)c1 938703665 MLYJJGUURRNFBF-ZDUSSCGKSA-N 324.344 -0.164 30 20 DBED O=C(C#CC1CC1)N1CCCN(C(=O)c2c[nH]c(=O)cn2)CC1 941001457 SZWCUZHIIOAPIM-UHFFFAOYSA-N 314.345 -0.142 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)Cn2ncn(C)c2=O)[C@H](C)C1 942201009 RUQRJCCODSLWKL-OLZOCXBDSA-N 307.398 -0.016 30 20 DBED C#Cc1cncc(C(=O)N[C@H]2CCCCN(C(=O)C(N)=O)C2)c1 943518264 HQCRKXKRUKPICL-ZDUSSCGKSA-N 314.345 -0.341 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](NC(=O)[C@@H]2CCNC2=O)[C@H](OC)C1 944415453 UCIXKCXLGPDOOS-IJLUTSLNSA-N 323.393 -0.323 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCN(C(=O)[C@@H]3CCNC3=O)CC2)C1 944997357 ZGEMVFMQXPSSRE-VXGBXAGGSA-N 318.377 -0.267 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H]2CNC(=O)c2ncc[nH]2)nn1 949825746 YDGKWPBTUABUSR-JTQLQIEISA-N 315.337 -0.168 30 20 DBED Cc1nc(CC(=O)N[C@H]2CCCN(C(=O)[C@@H](C)C#N)C2)n[nH]1 951868975 ZGNDZLDGLKJILG-ONGXEEELSA-N 304.354 -0.078 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@](C)(NC(=O)C2CC(=O)NC(=O)C2)C1 957202633 LJKHHTKAFJHTNP-PSLIRLAXSA-N 320.349 -0.694 30 20 DBED CC#CCN1C[C@H](O)[C@H](CNC(=O)c2ccn(C)c(=O)c2)C1 958183139 LNXCPDQHIGLVSF-KGLIPLIRSA-N 303.362 -0.569 30 20 DBED C#CCN1C[C@H](CNC(=O)c2c(OC)ccnc2OC)[C@@H](O)C1 958248499 JVYSAPHHVGAHAC-RYUDHWBXSA-N 319.361 -0.246 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](CNC(=O)c2ccn3nnnc3c2)C1 958318798 GYCFVEXTBMXYQB-CHWSQXEVSA-N 316.365 -0.277 30 20 DBED CS(=O)(=O)c1ccc(C(=O)NC2[C@@H]3CN(CC#N)C[C@@H]23)o1 961933042 QBXSEDFRRKIPKS-RKDXNWHRSA-N 309.347 -0.133 30 20 DBED O=C(NC[C@H]1COCCN1C(=O)C#CC1CC1)c1cn[nH]c1 964121684 TVURZEIUAMUJDE-ZDUSSCGKSA-N 302.334 -0.220 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@H](NC(=O)c2c[nH]c(=O)cn2)C1 970157493 SDLPZRFHZWWVKF-MNOVXSKESA-N 320.349 -0.716 30 20 DBED CC1(C)CC(=O)N(CC(=O)N2C[C@H]3CC[C@H]2CN3CC#N)C1=O 971381456 KPZXBBFKADTCDY-NEPJUHHUSA-N 318.377 -0.030 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)CS(C)(=O)=O)[C@@H]2C1 971480743 YZWWIKOOLAUZGH-GMTAPVOTSA-N 313.379 -0.750 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)c3cnn(C)c3N)[C@@H]2C1 971885674 DSSPGQRHEPSSTF-HOSYDEDBSA-N 316.365 -0.165 30 20 DBED CC#CCN1CCO[C@@]2(CCN(C(=O)c3cn(C)nn3)C2)C1 972371811 UPTMXGHXAZUPGF-HNNXBMFYSA-N 303.366 -0.245 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)C1 972555328 YARXJADBWLAJDO-KEYYUXOJSA-N 319.405 -0.176 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)c3cnn(C)n3)C2)nc1 974312914 FYBZUWBKLXEUQY-TXEJJXNPSA-N 324.344 -0.118 30 20 DBED C#Cc1cncc(C(=O)NC[C@H]2[C@@H]3CN([C@@H](C)C(N)=O)C[C@H]23)c1 978696032 HAOQGTMUOJMSES-FBUXBERBSA-N 312.373 -0.156 30 20 DBED C=C(C)CN(C)[C@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 980425694 DRDAHSJHPLZFNO-RYUDHWBXSA-N 301.412 -0.213 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](CNC(=O)c2cn(C)c(=O)cn2)C1 983213913 GPLKYZCRHMQLIY-MNOVXSKESA-N 317.349 -0.482 30 20 DBED C[C@@H]1C[C@H](NCC#N)CN1C(=O)c1ccc(-n2cnnn2)cn1 989225334 MVNROUGQFHXNNS-MNOVXSKESA-N 312.337 -0.227 30 20 DBED C#CCN1CC[C@]2(NC(=O)CN3C(=O)CN(C)C3=O)CCC[C@@H]12 992472997 JQMMQAFQJLMLKV-MLGOLLRUSA-N 318.377 -0.373 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CN(C(=O)c3nnn(C)n3)C[C@@]2(C)C1 993344068 AVZOVKKSTWGAQP-ISTVAULSSA-N 317.353 -0.710 30 20 DBED CC(C)(C)n1nnc(C(=O)NC2CN(C(=O)C#CC3CC3)C2)n1 993570805 QZCJQBGZQJFNND-UHFFFAOYSA-N 316.365 -0.218 30 20 DBED COCCN1C[C@H](C(=O)N2CCC[C@H](NCC#N)C2)CC1=O 999297496 HTWRWMOOZNVNMS-OLZOCXBDSA-N 308.382 -0.415 30 20 DBED C#CCN[C@H]1CCCN(C(=O)[C@H]2CCc3nnc(O)n3C2)C1 999552036 BULABIHWTPSFPN-RYUDHWBXSA-N 303.366 -0.240 30 20 DBED C=CCN[C@@H]1CCCN(C(=O)CCn2cc[nH]c(=O)c2=O)C1 1000463082 BTJUZEYKENLLSY-GFCCVEGCSA-N 306.366 -0.307 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)Cn2ncnn2)C1 1007496415 YKZPKCQUPVZDAH-SUNKGSAMSA-N 317.353 -0.670 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)C(N)=O)[C@H]2C)cn1 1011938150 PRXCBLLHNIXTKQ-BXKDBHETSA-N 300.318 -0.733 30 20 DBED CN1CCO[C@H](C(=O)NC2[C@H]3CN(C(=O)C#CC4CC4)C[C@H]23)C1 1012901068 AHJQIKOTAOURQP-IHRRRGAJSA-N 317.389 -0.697 30 20 DBED C#CCN1CCC(C(=O)N[C@@H]2CCN([C@@H](C)C(=O)NC)C2)CC1 1016336609 MQUMGTKHSKRQBL-DZGCQCFKSA-N 320.437 -0.343 30 20 DBED C=CCN[C@H]1C[C@@H](NC(=O)CN2CCCCS2(=O)=O)C1 1022437027 UKPXZYMFMWTTAY-TXEJJXNPSA-N 301.412 -0.165 30 20 DBED COCCn1nc(C(=O)NC[C@@H]2CCCN2CC#N)ccc1=O 1028013240 FXQPPEAGHUXNCX-LBPRGKRZSA-N 319.365 -0.393 30 20 DBED C#CCN1CC(CNC(=O)c2cn(C[C@H]3CCOC3)nn2)C1 1032083603 ZFVRJRMOHLEMKO-GFCCVEGCSA-N 303.366 -0.391 30 20 DBED CC(C)CN1C[C@H](C(=O)NC[C@@H]2CN(CC#N)CCO2)CC1=O 1035389450 CQDCFCWIJBEDKO-ZIAGYGMSSA-N 322.409 -0.169 30 20 DBED C[C@@H]1CN(C(=O)CCn2cnccc2=O)CC[C@@H]1NCC#N 1036232014 GPLBFTBICGBZCI-OLZOCXBDSA-N 303.366 -0.016 30 20 DBED C#CCCCC(=O)NC[C@]1(O)CCN(C(=O)Cc2cc[nH]n2)C1 1039574438 SKBSHUJLUREJIX-MRXNPFEDSA-N 318.377 -0.165 30 20 DBED CC(C)N(C)CC(=O)N1CC[C@](O)(CNC(=O)C#CC2CC2)C1 1039688220 CBHHMVBYIMRVPM-KRWDZBQOSA-N 321.421 -0.180 30 20 DBED N#Cc1cnc(N2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)cn1 1040956908 QRNMPYSDZANNEP-CHWSQXEVSA-N 323.316 -0.472 30 20 DBED N#Cc1nccnc1N1C[C@@H](O)[C@H](NC(=O)[C@@]2(F)CCOC2)C1 1041304430 MFOOVKIASZYOQW-JTNHKYCSSA-N 321.312 -0.857 30 20 DBED C=CCCOCC(=O)N1CC(O)(CNC(=O)Cn2cccn2)C1 1041465029 YRFYORPDPJBTKJ-UHFFFAOYSA-N 322.365 -0.835 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)COc2cnn(C)c2)C1 1041960336 NOVLBNMXIVAZOE-UHFFFAOYSA-N 322.365 -0.545 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)c2nccc(C)n2)C1 1042040001 NHUILHQTYNJOOP-UHFFFAOYSA-N 320.349 -0.709 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)CN(C)C2CCC2)C1 1042806866 LSXUQNMPRMRGHQ-UHFFFAOYSA-N 321.421 -0.036 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)C1CN([C@H]2CCNC2=O)C1 1042960684 RYQXADYEEGPGEI-KBPBESRZSA-N 304.394 -0.885 30 20 DBED C[C@@H]1CN(C)C[C@H]1C(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042963657 QXEWNHHREDRUAA-TZMCWYRMSA-N 319.405 -0.713 30 20 DBED C=CCCOCC(=O)NCC1(O)CN(C(=O)[C@@H](C)OCC)C1 1043566589 VZFKXFOYTNKLCW-GFCCVEGCSA-N 314.382 -0.306 30 20 DBED C=CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)c2nocc2C)C1 1043571104 MHJLOVFTOIJMFF-LLVKDONJSA-N 323.349 -0.123 30 20 DBED C=C(C)C[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2cnon2)C1 1045059237 OPRKJZGEQVYVOE-SNVBAGLBSA-N 308.338 -0.025 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)C2(C(F)F)CC2)C1 1045545726 AZJGYZFAQJNLTK-QMMMGPOBSA-N 301.293 -0.119 30 20 DBED C#CCN1CC[C@@H](N2CCN(C(=O)c3ncn(C)n3)CC2)C1 1046026211 PXHBJQCHGPIDFB-CYBMUJFWSA-N 302.382 -0.720 30 20 DBED C=CCN1CC[C@@H](N2CCN(C(=O)[C@@H]3CCN(C)C3=O)CC2)C1 1046054247 JXNNLWWDHUYWHP-HUUCEWRRSA-N 320.437 -0.131 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CCC(=O)NC2)C1 1047406750 OPQIFRHNIDQBRB-RDBSUJKOSA-N 307.394 -0.571 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)Cn2ccc(C)cc2=O)C1 1047549138 QCIQCJDVVSVBLG-GJZGRUSLSA-N 317.389 -0.316 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H]([C@@H](C)NC(=O)COC)C1 1050489407 CBOCLTNVVWXGHQ-NEPJUHHUSA-N 309.366 -0.875 30 20 DBED CC#CCN1CCOC[C@@H]1CNC(=O)[C@H]1CCCN1C(C)=O 1051263292 TVFRCGUBXFYCBA-LSDHHAIUSA-N 307.394 -0.162 30 20 DBED C#CCN1CCN([C@@H]2CCN(C(=O)c3cnnn3CC)C2)CC1 1052024502 FGLCAOIETVUJLO-CQSZACIVSA-N 316.409 -0.237 30 20 DBED C[C@]12CN(C(=O)CC(N)=O)C[C@H]1CN(c1ccc(C#N)nn1)C2 1052268373 KTQKUFAHCTXDKW-BMIGLBTASA-N 314.349 -0.492 30 20 DBED C[C@H]1CN(C(=O)Cn2ncnn2)C[C@H]1CNC(=O)C#CC1CC1 1052662404 TXWMPPPKTAEVCI-WCQYABFASA-N 316.365 -0.703 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)c3nnn(C)c3C)CO2)C1 1053768747 IBRYXMASPIBSOH-GFCCVEGCSA-N 303.366 -0.280 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)c3ccc4nn[nH]c4n3)CO2)C1 1053823024 AZOJYFLLASIRQC-SECBINFHSA-N 313.321 -0.550 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)[C@H]3CCN(C(C)=O)C3)CO2)C1 1053994903 OWLNWWDDTBCAIV-UONOGXRCSA-N 305.378 -0.553 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCC[C@](CO)(NC(=O)COC)C1 1055705039 FKZUDQWUZQWZME-GJZGRUSLSA-N 314.382 -0.570 30 20 DBED C#CCOCCC(=O)N1CCC[C@@](CO)(NC(=O)COC)C1 1055705049 FMIBNBOCXCGIID-OAHLLOKOSA-N 312.366 -0.858 30 20 DBED Cn1nncc1C(=O)NC1[C@H]2CN(c3nccnc3C#N)C[C@H]12 1056195264 SXHXMVDQHIKHBW-IUCAKERBSA-N 310.321 -0.659 30 20 DBED N#Cc1cncc(N2C[C@H]3C(NC(=O)Cc4cnc[nH]4)[C@@H]3C2)n1 1056429040 XIFNPAUAEUTGJO-VXGBXAGGSA-N 309.333 -0.135 30 20 DBED C=C(C)CCC(=O)NCCN(CCO)C(=O)[C@@H]1COCCO1 1057043658 JHEFIGSBKFOMCX-ZDUSSCGKSA-N 314.382 -0.305 30 20 DBED C=CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)c1cocn1 1057203286 WFJVWRKELZDYLQ-NSHDSACASA-N 311.338 -0.184 30 20 DBED C=C(C)CCC(=O)NCCN(CCO)C(=O)[C@H]1COC(=O)N1 1057477922 GGTAYZKGNAWROU-LLVKDONJSA-N 313.354 -0.612 30 20 DBED C#CCOCCC(=O)N(CCO)CCNC(=O)c1ncccn1 1057579775 SSNIGTZJRFRZGV-UHFFFAOYSA-N 320.349 -0.933 30 20 DBED C=CC(C)(C)C(=O)N(CCO)CCNC(=O)c1cnn(C)c1N 1058302083 DVCRMPCMJKTXHS-UHFFFAOYSA-N 323.397 -0.235 30 20 DBED C=C[C@@](C)(CC)C(=O)N(CCO)CCNC(=O)CC(=O)NC 1058728033 IKWMZJNXHPZWJQ-HNNXBMFYSA-N 313.398 -0.338 30 20 DBED Cc1nc(N[C@H]2CCN(C(=O)Cn3cnnn3)C2)ccc1C#N 1058836671 HEUOYTOKDAEWPW-LBPRGKRZSA-N 312.337 -0.039 30 20 DBED Cc1cc(=N[C@H]2C[C@H](NC(=O)c3nnn(C)n3)C2)c(C#N)c[nH]1 1059376539 GACZEHTVVDOFDI-XYPYZODXSA-N 312.337 -0.420 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCOC[C@@H]1CNC(=O)c1ncc[nH]1 1061557788 CLNFGRKYYOAXQA-XHDPSFHLSA-N 322.365 -0.306 30 20 DBED Cc1ccnn1CC(=O)NC[C@H]1COCCN1C(=O)[C@@H](C)C#N 1061592059 MMOLZBLHRKFCFV-AAEUAGOBSA-N 319.365 -0.305 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)c1ncccc1O 1061847258 JVHQIPAORIUHFV-MNOVXSKESA-N 318.333 -0.096 30 20 DBED O=C(Cc1nc[nH]n1)NC[C@H]1COCCN1C(=O)C#CC1CC1 1061919003 DBSVUNVKGJDJPT-LBPRGKRZSA-N 317.349 -0.896 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)[C@H]2CCN(C)C2=O)CCC1 1064310522 MPJNMIORWZLICO-GHMZBOCLSA-N 306.366 -0.221 30 20 DBED CSCC(=O)NC[C@@H]1CN(C(=O)CSCC#N)CCO1 1064881395 TUCZLJMFDANHPX-SNVBAGLBSA-N 317.436 -0.050 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H]1CN(C(=O)c2cn[nH]c2)CCO1 1064902887 VTFOKZCZWACTEK-DGCLKSJQSA-N 320.349 -0.595 30 20 DBED Cc1cc(C(=O)N2CCO[C@@H](CNC(=O)[C@@H](C)C#N)C2)n(C)n1 1064918036 VJRIDEBMAOYTNF-JQWIXIFHSA-N 319.365 -0.155 30 20 DBED C#CCC1(C(=O)NC[C@H]2CN(C(=O)CC(N)=O)CCO2)CCC1 1064999053 PYSHVLXSMKGWNF-LBPRGKRZSA-N 321.377 -0.601 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCO[C@H](CNC(=O)COCC)C1 1065095260 AOTBCBHHHFHRSP-IUODEOHRSA-N 314.382 -0.306 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCO[C@@H](CNC(=O)c2ncc[nH]2)C1 1065153781 CFRXZEIHCZEGKA-RYUDHWBXSA-N 320.349 -0.595 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@H]1CN(C(=O)c2cnn[nH]2)CCO1 1065326690 QSOBPERBKDGANX-IINYFYTJSA-N 323.353 -0.911 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CN(C(=O)C23CCN(CC2)C3)CCO1 1065374056 JYJGMPVTTXRWRY-STQMWFEESA-N 320.393 -0.415 30 20 DBED Cc1cc(=NC[C@H]2CN(C(=O)C(N)=O)C[C@H]2C)c(C#N)c[nH]1 1065901700 WUYBSYTZAWVUNZ-SKDRFNHKSA-N 301.350 -0.325 30 20 DBED C=CCOCC(=O)N1CCOC2(C1)CN(C(=O)c1cocn1)C2 1068355700 SBXWQWZJASMTGF-UHFFFAOYSA-N 321.333 -0.069 30 20 DBED C#CCO[C@H](C)C(=O)N1CCOC2(CN(C(=O)COC)C2)C1 1068395912 GIGDNRLEHLSYQY-GFCCVEGCSA-N 310.350 -0.889 30 20 DBED C=CC(C)(C)CC(=O)N1CC2(CC[C@@H](CNC(=O)C(N)=O)O2)C1 1068621079 WBUARIRODKWMJL-NSHDSACASA-N 323.393 -0.050 30 20 DBED Cc1c[nH]nc1C(=O)N1CC2(C[C@H](NC(=O)[C@@H](C)C#N)CO2)C1 1069004562 XBNGNXFIVBCQIQ-ONGXEEELSA-N 317.349 -0.023 30 20 DBED C[C@@H]1C[C@@H](N=c2cc[nH]c(C#N)n2)CN1C(=O)Cn1cncn1 1069099793 UEZQNDWZNUOPOC-GHMZBOCLSA-N 312.337 -0.537 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)CN2CCCC2=O)C1 1069894567 AFKDGWIYLQCAET-OLZOCXBDSA-N 318.381 -0.572 30 20 DBED C[C@H]1CCCN1CC(=O)N1C[C@H](n2ccnn2)[C@H](NCC#N)C1 1070274165 VLCJUYFVMAEFRJ-MJBXVCDLSA-N 317.397 -0.373 30 20 DBED C=CCOCC(=O)N1CCC[C@@H](NC(=O)C2(C(=O)NC)CC2)C1 1070553966 BJHPCGBBYDTVTQ-GFCCVEGCSA-N 323.393 -0.178 30 20 DBED N#CCN1CCNC(=O)CCN(C(=O)c2ccc(O)nc2)CC1 1071019380 IQXCEPUAGFNYOL-UHFFFAOYSA-N 317.349 -0.425 30 20 DBED C=C(C)CN1CC[C@@]2(C1)CN(C(=O)Cn1cnnn1)C[C@@H](C)O2 1071133397 ASTVEUZJWSYKJQ-UKRRQHHQSA-N 320.397 -0.059 30 20 DBED C=CCN1C[C@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)CC[C@H]1C 1071865447 JVSXNZWULGONFH-GHMZBOCLSA-N 322.365 -0.438 30 20 DBED CNC(=O)CC(=O)N1C[C@H](C)[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 1071968288 UVGHVMFHMHVUOR-CABZTGNLSA-N 317.349 -0.401 30 20 DBED C[C@H]1CN(C(=O)CC#Cc2ccccc2)C[C@H]1NC(=O)C(N)=O 1072206845 YGWPTGZRKUUZRA-GXTWGEPZSA-N 313.357 -0.123 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C[C@@H]1C 1072550959 HDZKZAZGVICQEX-ZHMBSYLPSA-N 320.389 -0.118 30 20 DBED C#CCCN1CCCO[C@H](CNC(=O)[C@H]2COCCN2CC)C1 1073665326 WUWNVJSPSFZBAS-HZPDHXFCSA-N 323.437 -0.063 30 20 DBED CC#CCN1CCO[C@H]2CCN(C(=O)CN3CCCC3=O)C[C@H]21 1074161001 YDHHTNPRFQFDPK-CABCVRRESA-N 319.405 -0.066 30 20 DBED CC(=O)N(C)CC(=O)NCC1(O)CCN(C(=O)[C@H](C)C#N)CC1 1074703392 DBLRVEOYOJLFSF-LLVKDONJSA-N 324.381 -0.906 30 20 DBED C[C@H]1C[C@@H](NC(=O)CC(N)=O)CCN1C(=O)c1c[nH]c(C#N)c1 1074909950 SCPSTQXDXWQXQY-ONGXEEELSA-N 317.349 -0.129 30 20 DBED C#CCCCC(=O)NCC[C@H](C)NC(=O)C1CC(=O)NC(=O)C1 1076307277 IFKOMWGLBBVYOZ-NSHDSACASA-N 321.377 -0.146 30 20 DBED C#CCO[C@@H](C)C(=O)NCC[C@H](C)NC(=O)CNC(=O)OC 1076510700 SBBQDKWPVINVAD-QWRGUYRKSA-N 313.354 -0.608 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CNC(=O)c3ccccc32)C1 1077147549 UTHDRXJSGLDQEK-BFHYXJOUSA-N 314.345 -0.802 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC(=O)Nc3ccccc32)C1 1077478579 IFZOGIJKDXQPAZ-IACUBPJLSA-N 314.345 -0.203 30 20 DBED C=CCN[C@@H]1C[C@H](NC(=O)CN2CC(=O)NC2=O)C12CCC2 1078749521 NNROGGHICDLRPN-MNOVXSKESA-N 306.366 -0.259 30 20 DBED CCN(C(=O)C#CC(C)C)C1CN(C(=O)CNC(=O)NC)C1 1079732844 NZXGEHBCUNFVHU-UHFFFAOYSA-N 308.382 -0.366 30 20 DBED C#Cc1ccccc1CC(=O)N1CC(N(CC)C(=O)C(N)=O)C1 1080401470 CWIPWYPHOAQZIA-UHFFFAOYSA-N 313.357 -0.245 30 20 DBED C#CCOCCC(=O)N1C[C@H](CNC(=O)C2CCC2)[C@@H](O)C1 1081133021 HPEURWCHQUOCRA-KBPBESRZSA-N 308.378 -0.238 30 20 DBED C#Cc1ccc(C(=O)N2C[C@H](CNC(=O)COC)[C@@H](O)C2)cc1 1081165812 DKFJZCBGEIVTRN-GJZGRUSLSA-N 316.357 -0.137 30 20 DBED N#CCSCC(=O)NC[C@@H]1CN(C(=O)c2cc[nH]n2)C[C@@H]1O 1081286316 JXFXPZSFDRHPMR-KOLCDFICSA-N 323.378 -0.784 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)Cn2cncn2)C[C@H]1O 1081337388 DWJMYHNSEZMLGI-NWDGAFQWSA-N 307.354 -0.820 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)C2=CCOCC2)C[C@@H]1O 1081346526 JFOCHBRVSFVQDR-KBPBESRZSA-N 324.377 -0.529 30 20 DBED C=CCCC(=O)N1C[C@H](CNC(=O)c2[nH]c(O)nc2C)[C@@H](O)C1 1081557158 YCLNWMSBRFDWBA-QWRGUYRKSA-N 322.365 -0.061 30 20 DBED C=CCCCC(=O)NC[C@H]1CN(C(=O)c2cnon2)C[C@@H]1O 1081704846 JDPJBYKZHVASQM-JQWIXIFHSA-N 308.338 -0.025 30 20 DBED C=C(C)CN1C[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)[C@H](OC)C1 1082374682 MGUSNKBYWBRGOF-QJPTWQEYSA-N 317.411 -0.930 30 20 DBED Cn1cnnc1CN1C[C@H]2[C@@H](C1)OCCN2C(=O)C#CC1CC1 1083077965 GKDHYXITRJFKQY-UONOGXRCSA-N 315.377 -0.360 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)c2cn(C)c(O)n2)C1 1083753202 GXGVOVOQSWFDJV-SCZZXKLOSA-N 300.746 -0.347 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)C2CCC(NC(C)=O)CC2)C1 1084121884 ZFWHCXDLRMCHGA-FJBKBRRZSA-N 321.421 -0.134 30 20 DBED CC#CCN1CC[C@@H]2CN(C(=O)C[C@@H]3NC(=O)NC3=O)[C@@H]2C1 1084418605 HWHNQBDPTODUGD-GRYCIOLGSA-N 304.350 -0.860 30 20 DBED CN(C[C@H]1CCN1[C@@H]1CCNC1=O)C(=O)c1c[nH]c(C#N)c1 1085556682 XHVVBNAKMFEAPE-CHWSQXEVSA-N 301.350 -0.079 30 20 DBED CSCCC(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1O 1090369047 QCMUROPWITZGMI-GHMZBOCLSA-N 307.379 -0.233 30 20 DBED CO[C@@H]1CN(c2ccc(C#N)c(C)n2)C[C@H]1NC(=O)CC(N)=O 1090876698 ALGNDZUXMAXODG-VXGBXAGGSA-N 317.349 -0.543 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(c2nccnc2C#N)C[C@@H]1O 1092153500 IOVQYDXHZHKEPR-AAEUAGOBSA-N 317.349 -0.393 30 20 DBED N#Cc1ccc(NCCNC(=O)CN2CCC(=O)NC2=O)cn1 1093858976 JCRUYZAFYVETGL-UHFFFAOYSA-N 316.321 -0.577 30 20 DBED C#CCO[C@H](C)C(=O)NCCNc1cncc(C(=O)N(C)C)n1 1093878218 IFXXUPABGKSKOA-LLVKDONJSA-N 319.365 -0.255 30 20 DBED Cc1cc(C#N)nc(NCCNC(=O)[C@]2(C)CCC(=O)N2)n1 1094103828 KWPRKTKMZMDPFQ-AWEZNQCLSA-N 302.338 -0.147 30 20 DBED N#Cc1cnc(NCCNC(=O)[C@H]2CN3CCC[C@@H]3CO2)cn1 1094203472 UDESZTSBHOLQHH-CHWSQXEVSA-N 316.365 -0.260 30 20 DBED C=CCN1CC(n2cc(CNC(=O)c3cnnc(O)c3)nn2)C1 1094298678 WTQWRQWRVPCSLZ-UHFFFAOYSA-N 315.337 -0.254 30 20 DBED C=C(C)CN1CC(n2cc(CNC(=O)c3cnn[nH]3)nn2)C1 1094304066 OJWNHTYIEACUAH-UHFFFAOYSA-N 302.342 -0.241 30 20 DBED Cc1cc(C#N)nc(NCCCNC(=O)CS(C)(=O)=O)n1 1094323503 PNYUYZDOXYKCNL-UHFFFAOYSA-N 311.367 -0.381 30 20 DBED C[C@@H](C(=O)NCCCNc1ccc(C#N)nn1)N1CCOCC1 1094485901 UZNFRLNFOIJLBX-LBPRGKRZSA-N 318.381 -0.013 30 20 DBED CN1C(=O)CC[C@H]1C(=O)NCCCN=c1cc[nH]c(C#N)n1 1094722270 HMEKYDHEJWRZEE-JTQLQIEISA-N 302.338 -0.691 30 20 DBED N#Cc1ccc(NCCCNC(=O)[C@@H]2CCC(=O)NC2)nn1 1094884685 UNMFWYNVXGOMPZ-SNVBAGLBSA-N 302.338 -0.207 30 20 DBED CC(=O)N(C)CC(=O)N1CCC[C@@H](N=c2cc[nH]c(C#N)n2)C1 1095287158 OMDOSTAGLGWQOC-GFCCVEGCSA-N 316.365 -0.349 30 20 DBED CN(CCCNC(=O)CCNC(N)=O)c1nccnc1C#N 1095556648 DPOISFCSKASPAN-UHFFFAOYSA-N 305.342 -0.651 30 20 DBED CCC(=O)NCC(=O)N[C@@H]1CCN(c2nccnc2C#N)C1 1096331887 TXEQKNQEWVYMEG-SNVBAGLBSA-N 302.338 -0.431 30 20 DBED CC(=O)N1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC#N)C1 1096462377 PQRXBDOJHLWJGP-RFGFWPKPSA-N 306.366 -0.521 30 20 DBED C[C@H](C(=O)N[C@H]1C[C@H](N=c2cc[nH]cc2C#N)C1)S(C)(=O)=O 1097113308 OSZZZCCNDLZVJC-YUSALJHKSA-N 322.390 -0.133 30 20 DBED CC(=O)NCC(=O)NC[C@H]1CCCN(c2cncc(C#N)n2)C1 1097269510 LFMLQYQYWUMGFB-GFCCVEGCSA-N 316.365 -0.183 30 20 DBED C[C@H](CNC(=O)COCCN(C)C)Nc1nccnc1C#N 1097954519 WRAIVPOOPVWEMZ-LLVKDONJSA-N 306.370 -0.157 30 20 DBED C[C@H](CNC(=O)Cn1c(O)nnc1O)Nc1ccc(C#N)nc1 1097976460 ISPXHARXIONDJX-MRVPVSSYSA-N 317.309 -0.427 30 20 DBED COCC#CCN(CCO)C1CCN(C(=O)[C@H]2CCOC2)CC1 1098384214 NUAOCANPQKDFKO-HNNXBMFYSA-N 324.421 -0.042 30 20 DBED C=CCN(CCO)C1CCN(C(=O)[C@H]2CC[C@@H]2C(N)=O)CC1 1098447451 LDKDAMGAQURTOT-KBPBESRZSA-N 309.410 -0.031 30 20 DBED C=CCn1cc(C(=O)N2CCC(N(CC#N)CCO)CC2)nn1 1098494120 WBHGXNYKCQFZGA-UHFFFAOYSA-N 318.381 -0.113 30 20 DBED C#CCNCc1cn([C@H]2CCN(C(=O)[C@H](C)CC(N)=O)C2)nn1 1098698691 XFFNHCRNNDFIFF-YPMHNXCESA-N 318.381 -0.714 30 20 DBED C=CCCC(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[nH]2)C[C@H]1O 1099728266 WFPMSOYWXOYUIV-WDEREUQCSA-N 309.370 -0.874 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CCN(Cc2cnnn2C)C[C@@H]1O 1099821943 YMVSWDIVOGKTEX-KGLIPLIRSA-N 305.382 -0.474 30 20 DBED C=CCN1CC[C@H](NC(=O)COCc2ccnn2C)[C@H](O)C1 1099890386 RNHJHLZSTFTUCG-UONOGXRCSA-N 308.382 -0.326 30 20 DBED C=CCN1CC[C@H](NC(=O)CNC(=O)c2ccccn2)[C@H](O)C1 1100124524 JHRCHOBAKOCYBI-GXTWGEPZSA-N 318.377 -0.451 30 20 DBED CC(C)(C)C(=O)C(=O)NCC1CC(NCC(=O)NCC#N)C1 1100195183 HRGQRJARWVKXIR-UHFFFAOYSA-N 308.382 -0.274 30 20 DBED Cc1nc(N(C)CCNC(=O)c2nnn(C)n2)ccc1C#N 1100264312 IKNBTIZTNZIBHB-UHFFFAOYSA-N 300.326 -0.349 30 20 DBED C[C@@H]1[C@H](C(=O)NCC2CC(NCC(=O)NCC#N)C2)CCN1C 1100343732 PJIKACVNFZDHPM-BLYZHGLHSA-N 321.425 -0.549 30 20 DBED CCN(CCNC(=O)CN1CCCC1=O)c1cncc(C#N)n1 1100440822 OMUHEEQRCHVYPO-UHFFFAOYSA-N 316.365 -0.087 30 20 DBED C[C@@]1(C(=O)NCC2CC(NCC(=O)NCC#N)C2)CCOC1 1100791630 OAAOATUDZRQYAR-KOHJWAIASA-N 308.382 -0.463 30 20 DBED C=CCNC1CC(CNC(=O)CNC(=O)Cn2cncn2)C1 1101026292 BGLGWVJBDAFYDY-UHFFFAOYSA-N 306.370 -0.935 30 20 DBED N#Cc1nccc(N2CC[C@@H](CCNC(=O)CC(N)=O)C2)n1 1102308479 ODJZINNUQOMSMI-SNVBAGLBSA-N 302.338 -0.444 30 20 DBED C#CCN1C[C@@H](C)[C@H](CNC(=O)CCC(=O)N2CCOCC2)C1 1102549564 ZPBJFBWRFDGNQL-HUUCEWRRSA-N 321.421 -0.057 30 20 DBED Cc1nn(CC(=O)NCC[C@@H]2CN(CC#N)C[C@H]2C)c(=O)n1C 1103688343 YJZHODQNDUZWDF-DGCLKSJQSA-N 320.397 -0.512 30 20 DBED N#Cc1nc(=NC[C@H](O)CNC(=O)CCc2ccoc2)cc[nH]1 1105786447 MCGALBYDNIIDQD-LBPRGKRZSA-N 315.333 -0.115 30 20 DBED COCCOCCC(=O)NC[C@@H](O)CNc1cnc(C#N)cn1 1105881224 UPVHPNXVNUMGHH-LBPRGKRZSA-N 323.353 -0.710 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)c1cnnc(O)c1 1106868721 QBQSYUOYXNNGQU-UHFFFAOYSA-N 313.321 -0.160 30 20 DBED C=CCCC(=O)NCc1cn(C2CN(CC(=O)NC)C2)nn1 1107142972 XQPWPWNETZWDFG-UHFFFAOYSA-N 306.370 -0.537 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)c2cc(OC)ncn2)C1 1107947024 AVPGXGFIXWKLNY-HNNXBMFYSA-N 304.350 -0.061 30 20 DBED C#CCCN1CC(N2C[C@H](NC(=O)COCC=C)CC2=O)C1 1108523567 MHYCNZSOVGROPV-CYBMUJFWSA-N 305.378 -0.386 30 20 DBED C[C@H](O)CN1CC(N2C[C@H](NC(=O)C#CC3CC3)CC2=O)C1 1108545301 RUNJMFQEDFWFFI-WCQYABFASA-N 305.378 -0.818 30 20 DBED C[C@@H](CN(C)c1ccc(C#N)cn1)NC(=O)CS(C)(=O)=O 1108836792 HIMLPRNLEQCRPJ-JTQLQIEISA-N 310.379 -0.061 30 20 DBED N#Cc1ccc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)C2(C(N)=O)CC2)nn1 1109739858 HHJOLROPGYIEKQ-UBHAPETDSA-N 312.333 -0.693 30 20 DBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cc[nH]n1 1110302681 NPZMQFSFZQHHGN-JLLWLGSASA-N 302.338 -0.615 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H]1CN(C)CCO1 1110417451 ZDEVJVWPXRDMJE-WCVJEAGWSA-N 321.421 -0.312 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cn1cnnc1O 1110462088 WXJVLMVZVWEBPB-UPJWGTAASA-N 319.365 -0.645 30 20 DBED C[C@@H]1C[C@@H](Nc2nccnc2C#N)CCN1C(=O)CNC(N)=O 1110507822 RPXFVVIPVCPEKB-ZJUUUORDSA-N 317.353 -0.192 30 20 DBED N#Cc1nc(=NC[C@@H]2CCCN2C(=O)CCCC(N)=O)cc[nH]1 1110549605 WISYENSWQBSGCK-NSHDSACASA-N 316.365 -0.171 30 20 DBED N#Cc1c[nH]ccc1=NCC[C@H]1CCN(C(=O)CNC(N)=O)C1 1111593956 OYVQNGYFKAAHEQ-NSHDSACASA-N 316.365 -0.306 30 20 DBED CS(=O)(=O)CC(=O)NCC1(N=c2cc[nH]cc2C#N)CCC1 1111759334 MPKBBOBPGKYZMS-UHFFFAOYSA-N 322.390 -0.129 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)[C@@H](C)Nc1ccc(C#N)nn1 1112977777 FVKDKKPNZRMQJP-MNOVXSKESA-N 314.349 -0.207 30 20 DBED COCCOCC(=O)NC[C@@H](C)N(C)c1cnc(C#N)cn1 1113539090 IMVKINKVYKFDMK-LLVKDONJSA-N 307.354 -0.048 30 20 DBED C#CCCCC(=O)NC1[C@H]2CN(CCNS(C)(=O)=O)C[C@H]12 1114201371 OCTBCBZJQHWDKS-RYUDHWBXSA-N 313.423 -0.615 30 20 DBED CC#CCN1C[C@H]2C(NC(=O)[C@@H](C)NS(=O)(=O)CC)[C@@H]2C1 1114311139 ILJLYRIIRKMCKG-IJLUTSLNSA-N 313.423 -0.616 30 20 DBED C#CCN1C[C@H]2[C@H](NC(=O)CCCN3C(=O)CCC3=O)[C@H]2C1 1114371885 MRNIMSZIAATAJO-ATCWAGBWSA-N 303.362 -0.405 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)c3cncn3C)[C@H]2C1 1114523799 IOORLDNUXXYAOH-CIQGVGRVSA-N 315.377 -0.782 30 20 DBED N#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)CCC(F)F)[C@H]2C1 1114579976 ZQOGFQJGBKYRQU-WOFXILAISA-N 300.309 -0.282 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3coc(OC)n3)[C@H]2C1 1114623551 AAIZKVULPTUAFG-IWIIMEHWSA-N 318.333 -0.907 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)c3ccc(C#C)cn3)[C@@H]2C1 1115139690 IGSLCLAJPZCLLY-ZIAGYGMSSA-N 322.368 -0.528 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)[C@H]3CCC(=O)N(C)C3)[C@H]2C1 1115300398 RDAMVAQIQQXUSV-TTZDDIAXSA-N 319.405 -0.449 30 20 DBED C[C@H](C(=O)N(C)C)S(=O)(=O)NC1CCN(CC#N)CC1 1116825097 JWYFZVGGVIZGBG-SNVBAGLBSA-N 302.400 -0.630 30 20 DBED C=CCOCCNC1CC2(C1)CC(NC(=O)Cn1ncnn1)C2 1121123764 YHRIYJFMWOBAES-UHFFFAOYSA-N 320.397 -0.107 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)c1cnns1 1124090234 FHZLEAHJTPPYNL-QMMMGPOBSA-N 319.350 -0.833 30 20 DBED C=CCOCC(=O)N(C)C[C@H](O)CN=c1cc[nH]c(C#N)n1 1124197261 WINDATLVEIOEFD-LLVKDONJSA-N 305.338 -0.796 30 20 DBED COCCN(CCNC(=O)[C@H]1CCOC1)c1cnc(C#N)cn1 1126247622 ZBAAEJURBMUSFC-LBPRGKRZSA-N 319.365 -0.046 30 20 DBED N#CCN1CC[C@H](c2n[nH]cc2CNC(=O)CCCC(N)=O)C1 1130450192 LVZJKPQTNNQCPB-NSHDSACASA-N 318.381 -0.006 30 20 DBED CCNC(=O)CCC(=O)N1CCC(=O)NCCN(CC#N)CC1 1131345094 MUTISABDRMIXTA-UHFFFAOYSA-N 323.397 -0.923 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)Cc1cnc[nH]1 1134397664 RSDLCJGEDOAGAB-UHFFFAOYSA-N 305.382 -0.141 30 20 DBED C=CCCN[C@@H](C)C[C@H](C)NC(=O)Cn1cnc(C(N)=O)n1 1134399096 KCLULXXDLNTZJG-QWRGUYRKSA-N 308.386 -0.174 30 20 DBED C=CCOCCNCCNC(=O)CN1C(=O)NC(=O)C1(C)C 1146661213 UAMHLOLKXYDQDU-UHFFFAOYSA-N 312.370 -0.775 30 20 DBED CC[C@@H](C)OCC(=O)N1CC2(CCN(CC(=O)NCC#N)C2)C1 1147345599 BRCCEWFDVWXKHP-CYBMUJFWSA-N 322.409 -0.024 30 20 DBED C=CCCN1CCCO[C@@H](CNC(=O)Cn2ncn(C)c2=O)C1 1149921507 PJEUHPSYSPEVTM-ZDUSSCGKSA-N 323.397 -0.635 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)Cc1cnn(C)c1 1152387157 XPVOFVPWRSFJHF-GFCCVEGCSA-N 320.397 -0.571 30 20 DBED Cc1cccc2c1O[C@@H](C(=O)NCCNCC(=O)NCC#N)C2 1153940337 ALQFOTUFFFMQFN-CYBMUJFWSA-N 316.361 -0.356 30 20 DBED Cn1nccc1CCC(=O)NCCCNCC(=O)NCC#N 1159081614 GPJNMGYAFZLMBB-UHFFFAOYSA-N 306.370 -0.912 30 20 DBED C#CCN1CCC(CNC(=O)[C@@H]2CC(=O)N(C)C2)(COC)CC1 1162296675 ZZJKPBKIJDFCLD-CQSZACIVSA-N 321.421 -0.057 30 20 DBED C#CCCNCCCNC(=O)CN1CCCCS1(=O)=O 1162652355 WNBBOTBZDCHWPJ-UHFFFAOYSA-N 301.412 -0.469 30 20 DBED COCC#CCN1CCO[C@@H]2CCN(C(=O)c3cc[nH]n3)C[C@H]21 1176918570 XFJHZOQONWUYBZ-HUUCEWRRSA-N 318.377 -0.025 30 20 DBED COCC#CCN[C@H]1CCN(C(=O)c2c[nH]c(=O)cn2)[C@H]1C 1179420872 PZUVIGHYVDBDIJ-RYUDHWBXSA-N 304.350 -0.388 30 20 DBED C#CCCN[C@H]1CCN(C(=O)CC[C@@H]2NC(=O)NC2=O)[C@H]1C 1180083324 CUQRTPRPNWZCHN-SRVKXCTJSA-N 306.366 -0.423 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2oc(C)nc2C)C1 1181821806 ITPHWKPYUSABNF-GFCCVEGCSA-N 304.350 -0.155 30 20 DBED CCCN1CCC[C@H]1C(=O)N1CC[C@@H](NCC(=O)NCC#N)C1 1183040608 UVIITGZDLVQYCL-KGLIPLIRSA-N 321.425 -0.309 30 20 DBED Cn1ncc(C(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)c1Cl 1183647429 HNZSCUPCJACHTO-SECBINFHSA-N 324.772 -0.483 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 1185685226 YUPZIASXAQBZML-MCIONIFRSA-N 307.394 -0.449 30 20 DBED O=C(C#CC1CC1)N1CCC[C@H](n2cc(CNCCO)nn2)C1 1185944074 XQPLKOJCNNLEPB-HNNXBMFYSA-N 317.393 -0.063 30 20 DBED C#CCOCCC(=O)N1CC[C@H]2CN(CCOCCO)C[C@H]21 1187873947 HWGTXIKZDSROQT-LSDHHAIUSA-N 310.394 -0.432 30 20 DBED C[C@H](OCC1CC1)C(=O)N1CC[C@@H](N(C)CC(=O)NCC#N)C1 1189231936 NQAFRWRZKGCHKV-GXTWGEPZSA-N 322.409 -0.026 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2cnns2)C[C@H]1O 1192891199 JEEBUAQORGNIDR-YUSALJHKSA-N 310.379 -0.762 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCCN(C(=O)Cn2nccn2)CC1 1195981665 CDUQASKDGZGAAH-CYBMUJFWSA-N 320.397 -0.497 30 20 DBED CC[C@H](CC(C)C)C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1O 1197574370 BDLVYAHEPJWOAO-MGPQQGTHSA-N 324.425 -0.140 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C[C@@H](C)C2CC2)C1 1199180741 FSYKLQCJKIXFRO-MRVWCRGKSA-N 309.410 -0.114 30 20 DBED C#CCNC[C@H]1CN(C(=O)[C@]2(CC)CCNC2=O)CCCO1 1200721060 FVOUXBUFAQOYGJ-XJKSGUPXSA-N 307.394 -0.257 30 20 DBED N#CCNC(=O)CNC1CCN(C(=O)c2ccns2)CC1 1200815160 CAXAIBWLOBDPSN-UHFFFAOYSA-N 307.379 -0.023 30 20 DBED C#CCNC[C@H]1CN(C(=O)c2cccnc2C(N)=O)CCCO1 1202124549 JWULIBVEKMYFBC-LBPRGKRZSA-N 316.361 -0.366 30 20 DBED C=CCOCC(=O)N1C[C@H]2CC[C@H]1[C@@H](NCc1nnn(C)n1)C2 1204134087 CJZIVVXYGKHQJP-AVGNSLFASA-N 320.397 -0.118 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)c2cnnn2C)[C@H](C)C1 1206919194 LNCVQIMDFCMCLA-GRYCIOLGSA-N 320.397 -0.444 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)Cc2cccnc2)C1 1207801025 NCQGLJKBMYDTOB-HNNXBMFYSA-N 314.389 -0.046 30 20 DBED Cc1nonc1CC(=O)N1CCC[C@@H](NCC(=O)NCC#N)C1 1210411034 CNUSTBMIPSAONP-LLVKDONJSA-N 320.353 -0.859 30 20 DBED CNC(=O)C1(C(=O)N[C@@H]2CN(CC#CCOC)C[C@H]2C)CCC1 1210521675 NQJUAOVPFXHZCB-ZIAGYGMSSA-N 321.421 -0.011 30 20 DBED COC[C@@H](O)CN1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@H](OC)C1 1212081745 UKIUJJDJXDXEOK-IACUBPJLSA-N 322.365 -0.677 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)CCNC(=O)C1CCC1 1213564887 JXFINJAQPSNDSH-CHWSQXEVSA-N 308.382 -0.368 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(Cc2cnon2)C[C@H]1OC 1213959394 HLTBLEQERXOYCX-CHWSQXEVSA-N 310.354 -0.022 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2ccnn2C)C[C@H]1C 1214280202 NNVNUIAPRGYZHD-FRRDWIJNSA-N 317.393 -0.392 30 20 DBED C#CCCN[C@@H]1CN(C(=O)CN2CC(=O)N(C)C2=O)C[C@H]1C 1216369845 CAIWXUNAUYTSNS-VXGBXAGGSA-N 306.366 -0.660 30 20 DBED C=CCOCCN[C@@H]1CN(C(=O)c2cn(C)c(=O)n2C)C[C@H]1C 1216863452 COKAMHRLTDPVDX-CHWSQXEVSA-N 322.409 -0.024 30 20 DBED N#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2ccccc2F)C1 1219118105 IMLLJYBEZPKNGR-OLZOCXBDSA-N 320.324 -0.760 30 20 DBED CCC[C@@H](CC)C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@@H]1O 1220631826 STQJWLAUSXALQX-UPJWGTAASA-N 310.398 -0.386 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2cncn2C)C[C@@H]1O 1221141688 WQNGEEGDJANTIX-YUTCNCBUSA-N 308.382 -0.328 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)C3(COC)CC3)[C@@H]2C1 1221690280 OJKZJJZWBLABHR-ZIAGYGMSSA-N 319.405 -0.305 30 20 DBED N#CCNC(=O)CN1CCC(NC(=O)c2ccncc2)CC1 1225796886 ZJCZJCMLVDERKV-UHFFFAOYSA-N 301.350 -0.084 30 20 DBED CC(C)NC(=O)CN(C)CC(=O)N[C@@H]1CCCC[C@H]1NCC#N 1227287021 MRGLWHNPFLZHIZ-ZIAGYGMSSA-N 323.441 -0.017 30 20 DBED CNC(=O)NC(=O)[C@@H](C)N1CC[C@H]1CN(C)C(=O)C#CC1CC1 1234195002 HKLBTDHDEOGYPN-YPMHNXCESA-N 320.393 -0.223 30 20 DBED N#CCNC(=O)CN1CC[C@H](NC(=O)c2cnn3c2CCC3)C1 1269033690 FVLFLGLPFVAJOC-NSHDSACASA-N 316.365 -0.727 30 20 DBED CC#CCCNC(=O)C(=O)NC[C@@H]1CN(CC(C)C)CCO1 1321593950 RCWDQBNSGUJECP-CQSZACIVSA-N 309.410 -0.011 30 20 DBED CS(=O)(=O)c1cc(N)cc(C(=O)OCC(=O)NCC#N)c1 1322286114 LBHBCLBBOWQIDQ-UHFFFAOYSA-N 311.319 -0.531 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CC[C@H](OCCOC)C1)[C@@H]1CCCO1 1323818901 BMVWXISKFRVVJX-IHRRRGAJSA-N 324.377 -0.453 30 20 DBED C#CCN(C(=O)C(=O)Nc1cnn(CC(=O)N(C)C)c1)C1CC1 1324860970 BZPYRDMMPRYZKF-UHFFFAOYSA-N 317.349 -0.466 30 20 DBED CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)NOCC(N)=O 1324886249 LVDJOPOKMMEDLZ-UHFFFAOYSA-N 307.310 -0.414 30 20 DBED CC#CCCNC(=O)C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 1325907308 SXNCLGPLOYPJLS-LLVKDONJSA-N 315.395 -0.944 30 20 DBED CC(C)NC(=O)CN(C)C(=O)C(=O)Nc1ccc(C#N)cn1 1327816373 LTDCKQUUNWSSLA-UHFFFAOYSA-N 303.322 -0.125 30 20 DBED C#CC1CCN(C(=O)C(=O)c2cc(S(N)(=O)=O)cn2C)CC1 1328356483 USNCIBFMARONIF-UHFFFAOYSA-N 323.374 -0.273 30 20 DBED CN1C(=O)CC[C@H](NC(=O)C(=O)Nc2ccc(C#N)cn2)C1=O 1332026627 GZRXFSIQJRJIBP-VIFPVBQESA-N 315.289 -0.845 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CCC2(CC1)CNC(=O)O2 1335675249 XQXPKXBPFPEGQD-SNVBAGLBSA-N 311.338 -0.595 30 20 DBED CNC(=O)c1ccc(NC(=O)C(=O)N2CCO[C@H](C#N)C2)cc1 1338670349 BUHQMTWIKQJPEO-GFCCVEGCSA-N 316.317 -0.264 30 20 DBED C#CCCCCNC(=O)C(=O)N1CC[C@@H](S(C)(=O)=O)C1 1342363997 KUKPDXYSGIQQIV-LLVKDONJSA-N 300.380 -0.448 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CCC(CN)CC2)nn1 1345595668 MRNPILQEBFPNGV-UHFFFAOYSA-N 306.370 -0.722 30 20 DBED Cn1ccnc1C(=O)[C@@H](C#N)C(=O)CCn1ncn(C)c1=O 1347203245 JAPDTLYIZYWLOO-VIFPVBQESA-N 302.294 -0.703 30 20 DBED C=CCN(C(=O)C(=O)NCCN(C)C(=O)OC)[C@H](C)COC 1350593049 FISIGTDDDZFHOU-LLVKDONJSA-N 315.370 -0.150 30 20 DBED C[C@H](C(=O)N[C@H]1CCc2c(nnn2C)C1)n1cnc(C#N)n1 1361883688 IRNYEOJXJOTFJN-BDAKNGLRSA-N 300.326 -0.487 30 20 DBED N#Cc1cn(CC(=O)N2CCn3nccc3C2)c(=O)nc1O 1364085245 CVXWOEBAOYOLDW-UHFFFAOYSA-N 300.278 -0.941 30 20 DBED COC(=O)[C@](C)(CO)NS(=O)(=O)c1ccc(F)cc1C#N 1365713748 XPQFAPOMKVEBLO-LBPRGKRZSA-N 316.310 -0.100 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CCCN(C(=O)c2ccc(C(N)=O)[nH]2)C1 1388996301 GNAYGDZBIXQGOU-ZJUUUORDSA-N 317.349 -0.006 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCN(C)C(=O)c1nccnc1C(N)=O 1389002635 XJIVTHOLSAAYJO-VIFPVBQESA-N 318.337 -0.734 30 20 DBED CC[C@H](C)C[C@H](CO)NC(=O)Cn1cc(C#N)c(O)nc1=O 1412275748 FRTWIDZUUCYDEG-GXSJLCMTSA-N 308.338 -0.266 30 20 DBED CC(=O)N1CC[C@@](C)(C(=O)NCCN(C)C(=O)[C@@H](C)C#N)C1 1415619719 QQAXJSXVGLBVSS-XHDPSFHLSA-N 308.382 -0.021 30 20 DBED C[C@H](C#N)C(=O)N(C)C[C@H]1CCN(C(=O)c2cnn(C)n2)C1 1415948145 QGPFBUFBRQMEIS-GHMZBOCLSA-N 304.354 -0.105 30 20 DBED CC(C)[C@@](C)(CO)NC(=O)CCn1cc(C#N)c(O)nc1=O 1417794806 SHBNZKIPJUPDPP-CQSZACIVSA-N 308.338 -0.266 30 20 DBED CC(C)NS(=O)(=O)N1CCN(C(=O)C(C)(C)C#N)CC1 1417949561 HTBRUINAFKBSEL-UHFFFAOYSA-N 302.400 -0.077 30 20 DBED C=C(Cl)CNC[C@H]1CN(C(=O)CCS(C)(=O)=O)CCO1 1421793662 WIGOQBGXUVNMMM-NSHDSACASA-N 324.830 -0.009 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(O)(CNCc2cnn(C)n2)CC1 1424546965 MRKPADSHLSJBGO-NSHDSACASA-N 306.370 -0.582 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CCN(C(=O)C3(NC(N)=O)CC3)[C@@H]2C1 1426483689 KDONVOCNGLHWAI-GARJFASQSA-N 319.365 -0.594 30 20 DBED C[C@@H](CNCC(=O)NC1CCOCC1)CNC(=O)[C@H](C)C#N 1438473413 CNPOZNDMPUCEDD-NWDGAFQWSA-N 310.398 -0.217 30 20 DBED CCn1nc(C(=O)N(C)C[C@@H](C)NC(=O)[C@@H](C)C#N)ccc1=O 1451194745 XQZVSTJIBZEJPX-WDEREUQCSA-N 319.365 0.000 30 20 DBED C[C@H](CNC(=O)c1ccc(C#N)[nH]1)CNC(=O)[C@H]1COCCO1 1451511583 WWYVGPWDXKIALK-ZWNOBZJWSA-N 320.349 -0.216 30 20 DBED C[C@H](C#N)C(=O)NCCN(C)C(=O)[C@H]1CCc2nnn(C)c2C1 1496502234 RXVJOCZEBUJINU-MNOVXSKESA-N 318.381 -0.346 30 20 DBED CC[C@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)CNC(=O)NC 1498996249 DQTZHQDMRHLZBR-SNVBAGLBSA-N 320.353 -0.560 30 20 DBED C#CCOc1ncccc1C(=O)NCCNC(=O)CNC(=O)O 1573311763 GIOAJGYGEMGNTC-UHFFFAOYSA-N 320.305 -0.793 30 20 DBED C[C@H](CNC(=O)[C@@H](C)C#N)CNc1ccc(-c2nn[nH]n2)nn1 1574834578 BZDGWPPKOKANQV-IUCAKERBSA-N 315.341 -0.019 30 20 DBED CN1CCC(C#N)(NC(=O)CN2CCC[C@@H](C(=O)O)C2=O)CC1 1598578916 QXCGAWWXSDZQIW-LLVKDONJSA-N 322.365 -0.586 30 20 DBED COC(=O)[C@H]1C[C@@H](C(=O)O)CCN1C(=O)Cn1cnc(C#N)n1 1598747124 WGBXQWJKJJMGHL-DTWKUNHWSA-N 321.293 -0.985 30 20 DBED COCC#CCN1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3C(=O)O)C[C@H]2C1 1599139313 UMQJDGZSNRYHLB-XJFOESAGSA-N 306.362 -0.253 30 20 DBED N#CC1(C(=O)O)CCN(C(=O)NCC[C@]2(O)CCOC2)CC1 1601051188 FPCIMGQHAZIMOH-AWEZNQCLSA-N 311.338 -0.072 30 20 DBED C=CCCn1cc(C(=O)NCCn2cc(C(=O)O)nn2)nn1 1602884576 JPWVDXYWQNDZBU-UHFFFAOYSA-N 305.298 -0.426 30 20 DBED COC(=O)CN(CC(=O)O)C(=O)[C@@H](O)c1ccc(C#N)cc1 1606464054 MYJOMYAOXQPNSQ-ZDUSSCGKSA-N 306.274 -0.322 30 20 DBED C=CCOCCCC(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)O 1609636958 ZSWYDKOTEZBIPD-SNVBAGLBSA-N 305.352 -0.321 30 20 DBED C#CCNC(=O)CNC[C@H](CC(C)C)NC(=O)[C@H]1CCCN1C 1714927232 NMAOGFHSHIYKMD-LSDHHAIUSA-N 322.453 -0.050 30 20 DBED C=CCN1CCN(CCNC(=O)c2cccnc2C(N)=O)CC1 1752375529 PSCBVYKVCYZSLG-UHFFFAOYSA-N 317.393 -0.286 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@@H](C)N(C)C(=O)c1cnnn1C 1753690859 XUWJTPHLKOCYIQ-MNOVXSKESA-N 306.370 -0.997 30 20 DBED C=CCN1CC[C@H](N[C@H](CNC(=O)CNC(C)=O)C(C)C)C1=O 1753822718 OVXPLNIDFNIEGJ-UONOGXRCSA-N 324.425 -0.360 30 20 DBED C[C@@H](CN(C)CC(=O)NCC#N)NC(=O)C(C)(C)N1CCCC1 1754319555 OTJJOMBBRVIDAT-ZDUSSCGKSA-N 323.441 -0.063 30 20 DBED C#CCOCCC(=O)N[C@H](CN[C@@H]1CCN(C)C1=O)C1CC1 1754438914 IKKFNSOJNXSULC-ZIAGYGMSSA-N 307.394 -0.259 30 20 DBED C#CCCN1CC[C@H](N2CCN(C(=O)CNC(C)=O)CC2)C1 1754662251 UIILMROCHJWIOR-HNNXBMFYSA-N 306.410 -0.636 30 20 DBED C[C@H]1CN(C(=O)CSCC#N)C[C@H]1CNCc1nnn(C)n1 1754814353 YPAZUSXHMJZHDB-WDEREUQCSA-N 323.426 -0.349 30 20 DBED C[C@H](NCC#N)[C@@H]1CN(C(=O)c2coc(C(N)=O)c2)CCO1 1755445247 QLUUEEPNMBGTQK-CABZTGNLSA-N 306.322 -0.279 30 20 DBED CC1(C)CN(C(=O)c2cnns2)C[C@H]1NCC(=O)NCC#N 1755752732 KHTSHSHBBFWUCL-SNVBAGLBSA-N 322.394 -0.382 30 20 DBED Cc1cc(C(=O)N(C)CCOCCNCC#N)ncc1C(N)=O 1755876847 UIJIXVPDIFBZCM-UHFFFAOYSA-N 319.365 -0.309 30 20 DBED C#CCCCC(=O)N[C@H](CO)CNC(=O)c1ccc(O)nc1 1756568226 NZSORADPMBZDBN-LBPRGKRZSA-N 305.334 -0.202 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(C(=O)c2ccc(C)nn2)C[C@@H]1O 1757168982 KSUNGUDGLCTKLK-KGLIPLIRSA-N 316.361 -0.110 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CCC(=O)N1C)CCO2 1783052857 PEHKZNUJDIYUEM-LRDDRELGSA-N 319.361 -0.930 30 20 DBED C=CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)CC(N)=O)CCO2 1783914841 DOSTUKVXFMLTAY-LRDDRELGSA-N 323.393 -0.096 30 20 DBED C[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C#N)CC3)C[C@@H]21 1791049213 DCPMJXKFWDNQTO-CYDGBPFRSA-N 321.377 -0.349 30 20 DBED C#CC(=O)NC[C@H]1CCN(C(=O)[C@@H](N)CN)[C@H]1c1cccnc1 1812527926 YELAWDYZWMTAML-IPYPFGDCSA-N 315.377 -0.993 30 20 DBED C#CC(=O)N1CCC([C@@H]2CCCCN2C(=O)CNC(N)=O)CC1 1832940457 NVDNJSZJJQLSDX-ZDUSSCGKSA-N 320.393 -0.092 30 20 DBED C#CC(=O)N1CC2(CCCN2C(=O)CNC(=O)C(F)(F)F)C1 1846400322 UBEBJYYTKMSISK-UHFFFAOYSA-N 317.267 -0.499 30 20 DBED CCOCCCN/C(N)=N/C[C@@H]1CCN(S(C)(=O)=O)C1 133858049 CUOCHSVFJZJIKX-NSHDSACASA-N 306.432 -0.401 30 20 DBED C=CCNC(=O)NC(=O)CN1CCN(c2cnn(C)c2)CC1 174937916 IMARMZYEMRVXPA-UHFFFAOYSA-N 306.370 -0.446 30 20 DBED CC[C@@H](CC#N)NC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 183960496 LBKAZLVUYPQPNQ-KGLIPLIRSA-N 322.409 -0.024 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(C2CC2)[C@@H](C)C(=O)O)C1=O 263544135 FSGSUIYPNDIASU-QMMMGPOBSA-N 323.305 -0.573 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)Cc2cc(C)on2)CC1 265844093 AORXHYIVGNZXOH-UHFFFAOYSA-N 318.377 -0.191 30 20 DBED COC(=O)[C@@H](NC(=O)COc1ccc(C#N)cc1OC)[C@H](C)O 274508745 GRFCXDZGOUWQRC-XPTSAGLGSA-N 322.317 -0.016 30 20 DBED COC(=O)[C@H](NC(=O)COc1ccc(C#N)cc1OC)[C@@H](C)O 274508749 GRFCXDZGOUWQRC-YMTOWFKASA-N 322.317 -0.016 30 20 DBED CCOC(=O)[C@@H](C)[C@@H](C)Nc1c(C#N)c(=O)n(C)c(=O)n1C 274655441 HYGJKJFEKTZFCV-DTWKUNHWSA-N 308.338 -0.045 30 20 DBED C#CCN(CC#N)S(=O)(=O)c1ccc(S(C)(=O)=O)nc1 281489369 VXHCFPWWSDCFKA-UHFFFAOYSA-N 313.360 -0.367 30 20 DBED C#CCNc1nc(N(C)C[C@H](C)O)nc(N(C)C[C@H](C)O)n1 292232508 FRVZGWACDFJCEQ-QWRGUYRKSA-N 308.386 -0.449 30 20 DBED C=CCN(CC=C)[C@@H](CNC(=O)[C@H](CO)NC(N)=O)C(C)C 295015150 YFBMZEYVFJQUFB-STQMWFEESA-N 312.414 -0.170 30 20 DBED COc1nccc(N/C(O)=N/C[C@H]2CCS(=O)(=O)C2)n1 328661423 ACXCRIWBATUSSD-MRVPVSSYSA-N 300.340 0.246 30 20 DBED CN1C[C@H](/C(O)=N/CCN2CCS(=O)(=O)CC2)CC1=O 328769379 IKDZHSPIAPHQBQ-SNVBAGLBSA-N 303.384 -0.848 30 20 DBED C[C@H](C/N=C(/O)Cn1ccc(=O)n(C)c1=O)N1CCCCC1=O 329898991 FDWBFXHECAKJQV-LLVKDONJSA-N 322.365 -0.096 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCN(C(C)=O)C2)CC1 331135012 VAOJXSYTVJZQMN-AWEZNQCLSA-N 322.409 -0.699 30 20 DBED CCN(CCC#N)S(=O)(=O)N[C@@H]1CC(=O)N(C2CC2)C1 337078433 VDROCBDNTQQDEH-SNVBAGLBSA-N 300.384 -0.180 30 20 DBED COCCN([C@H](C)C(N)=O)S(=O)(=O)N(C)C[C@@H](C)C#N 337103078 XSZANUUCUZGNOV-VHSXEESVSA-N 306.388 -0.855 30 20 DBED C=CCCOCCNC(=O)C(=O)N1CCC[C@H]2C(=O)NC[C@H]21 342029287 ZJRFFRWNEDQLQM-VXGBXAGGSA-N 309.366 -0.568 30 20 DBED CN(C)c1nccc(CNC(=O)CNc2ccc(C#N)cn2)n1 343043011 OWBBHZZJEMQCQN-UHFFFAOYSA-N 311.349 0.538 30 20 DBED N#CCNC(=O)CNC(=O)NCc1cccc(N2CCC2=O)c1 346504172 JUHQLGVQMNHWCZ-UHFFFAOYSA-N 315.333 -0.138 30 20 DBED C=C(C)COCCNC(=O)CNS(=O)(=O)c1cn(C)cn1 355451938 WWWBCSPVWRMMNS-UHFFFAOYSA-N 316.383 -0.593 30 20 DBED Cn1ncc(C(=O)N(CCC#N)CCN2CCOCC2)c1C#N 355456993 LUKKQBPBABLGPN-UHFFFAOYSA-N 316.365 -0.020 30 20 DBED N#Cc1ccccc1OCC(=O)N1CCCN(CC(N)=O)CC1 363060555 WTEGADATQGOILK-UHFFFAOYSA-N 316.361 -0.043 30 20 DBED N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@H](O)[C@H](O)C1 434774546 MJHYBBKGPBNRCM-AOOOYVTPSA-N 313.291 -0.807 30 20 DBED COC(=O)Cn1cc(S(=O)(=O)Nc2nn(C)cc2C#N)cn1 443416240 HSBYATCSZPXXSY-UHFFFAOYSA-N 324.322 -0.538 30 20 DBED C#CCNC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(C3CC3)C2)CC1 491642291 AWRQIZOESBFOSY-ZDUSSCGKSA-N 317.389 -0.015 30 20 DBED CCN(CCC#N)C(=O)CN1CCC[C@H]1CS(=O)(=O)NC 494691328 SVVUNSJBHPCXHV-LBPRGKRZSA-N 316.427 -0.238 30 20 DBED CN(C)C(=O)O[C@H]1CCN(S(=O)(=O)N(C)CCC#N)C1 496831027 VMVKFSCVJRSPOX-JTQLQIEISA-N 304.372 -0.151 30 20 DBED CN1C[C@@H]2CCCN(C(=O)NCCn3cnc(C#N)n3)[C@@H]2C1 517232269 IUNWNUWZTDEMJS-NWDGAFQWSA-N 303.370 -0.115 30 20 DBED C=C(C)COCCNC(=O)c1nc(N)nc(N2CCOCC2)n1 578017743 MLZGFANDDDISEN-UHFFFAOYSA-N 322.369 -0.387 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)Nc1ccn(CC(=O)OCC)n1 594553515 BBNNJCAVEYIAAN-JTQLQIEISA-N 323.353 0.258 30 20 DBED CC#CC[C@@H](CO)NC(=O)NC1CCN(S(C)(=O)=O)CC1 645142556 HPRQSUOMSNELMF-LBPRGKRZSA-N 317.411 -0.516 30 20 DBED C=CCOCC(=O)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 735437005 CAXGCHAICDWXIZ-UHFFFAOYSA-N 323.334 -0.126 30 20 DBED COc1cc(C(=O)N(CC#N)CC(=O)O)ccc1OCC(N)=O 737844256 IRQZPDCZOJYXOM-UHFFFAOYSA-N 321.289 -0.390 30 20 DBED COC[C@H](NS(=O)(=O)c1ccc(C#N)c(Cl)c1)C(N)=O 758484384 NIRZJYUQHGDXGB-JTQLQIEISA-N 317.754 -0.010 30 20 DBED C#CCOCCNC(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 784607476 UZNFLCBMZLTETE-HBJVGIJOSA-N 320.345 -0.695 30 20 DBED C#Cc1cccc(NC(=O)C(=O)NCCn2cnc(C#N)n2)c1 807366660 DREALKZXMQUGOB-UHFFFAOYSA-N 308.301 -0.114 30 20 DBED COC[C@@H](NS(=O)(=O)c1ccc(C#N)c(F)c1)C(N)=O 813686969 RLASOTKIQTYYTR-SNVBAGLBSA-N 301.299 -0.524 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)NC1COC(C)(C)OC1 828314902 LOWYLLSGCACMKD-UHFFFAOYSA-N 312.366 -0.248 30 20 DBED C#C[C@@H](NC(=O)C(=O)NCCN(C)C(=O)OC)[C@H]1CCCO1 829215581 WRYRCANFCRTELO-GHMZBOCLSA-N 311.338 -0.902 30 20 DBED N#C[C@@H]1CNC[C@@H]1NC(=O)CCN1C(=O)c2ccccc2C1=O 834506355 SGBLOOUSCYLLPD-MFKMUULPSA-N 312.329 -0.100 30 20 DBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H]1C[C@@H](O)C1 863179770 BXLMIQDINMPKNZ-AOOOYVTPSA-N 323.374 -0.388 30 20 DBED C#CCNS(=O)(=O)N1CCN(c2cc(C3CC3)ncn2)CC1 882713158 DDXVYBTYBLOVME-UHFFFAOYSA-N 321.406 -0.056 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)CCc2cn[nH]c2)CC1 900036540 DGHQXAPFXAEJKH-UHFFFAOYSA-N 305.382 -0.211 30 20 DBED CCCNC(=S)NN=Cc1nc2c(c(O)nc(=O)n2C)n1C 920370705 LPLGWTDNQDMPAN-UHFFFAOYSA-N 323.382 -0.419 30 20 DBED CN1CCOC[C@H]1C(=O)N[C@@H]1CCN(C(=O)C#CC2CC2)C1 940091163 OECFNIDQCLXQPT-KGLIPLIRSA-N 305.378 -0.553 30 20 DBED CO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1NC(=O)Cc1n[nH]c(C)n1 941737884 YJDWZBXAAAQLBO-FBIMIBRVSA-N 320.353 -0.843 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)C2=CCOCC2)C1 944561286 QCEOVKMPOQGTRX-YPMHNXCESA-N 307.350 -0.164 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2[C@H]3C[C@H]2N(C(=O)c2cnon2)C3)c[nH]1 946958896 MIQPGDYBGXSLBK-XXILOJSOSA-N 312.289 -0.088 30 20 DBED CC(=O)N1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@H](C)C#N)C1 954919134 JTXIIQNQIWELBP-MFKMUULPSA-N 306.366 -0.174 30 20 DBED C#CCCN1C[C@@H](O)[C@@H](CNC(=O)c2cccn3nnnc23)C1 958092170 NUUVBOFTWFWWCA-WCQYABFASA-N 314.349 -0.830 30 20 DBED C=CCN1C[C@H](O)[C@H](CNC(=O)c2cc(=O)c(OC)c[nH]2)C1 958264247 VMPCVXVBZIWXMS-MFKMUULPSA-N 307.350 -0.408 30 20 DBED C=CCCN1C[C@H](CNC(=O)c2cc(C(N)=O)c[nH]2)[C@@H](O)C1 958524654 BIIBCPBSMSMLHY-AAEUAGOBSA-N 306.366 -0.288 30 20 DBED CC#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cnc(OC)nc2)C1 958561734 APNXRIJXEIBWQE-QWHCGFSZSA-N 304.350 -0.469 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2c(OC)ncnc2OC)C1 958759142 VFGFHYWKOCXZBU-WDEREUQCSA-N 320.349 -0.851 30 20 DBED Cc1nn[nH]c1C(=O)N[C@H]1COC2(C1)CN(C(=O)[C@H](C)C#N)C2 965757754 OVJIUXHJSNAMCL-PSASIEDQSA-N 318.337 -0.628 30 20 DBED CC#CCN1CC[C@@H](C)[C@@H](NC(=O)c2cn(C)c(=O)nc2O)C1 968644017 VSHYZQHPFYLRQK-YPMHNXCESA-N 318.377 -0.051 30 20 DBED N#CCN[C@@H]1CCN(C(=O)[C@H]2COCCN2CC(F)F)C1 969464821 GJKIXLSTBFGAOD-GHMZBOCLSA-N 302.325 -0.334 30 20 DBED C=CCn1cc(C(=O)N2CC[C@@H](NCc3nc(O)n[nH]3)C2)nn1 970203457 AVSPNZCNXBDRRZ-SECBINFHSA-N 318.341 -0.708 30 20 DBED Cn1cc(C(=O)N2C[C@H]3CC[C@H]2CN3CC#N)c(O)nc1=O 972105940 BTUVVHFVQKTUIX-ZJUUUORDSA-N 303.322 -0.702 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CCN(C(=O)C(N)=O)[C@H]2C1 976045410 AYSKJVAEVBOANM-RNJOBUHISA-N 321.377 -0.488 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H]2CCN(C(=O)c3nc[nH]n3)C2)c1 983115690 PGWSPWUWJZJKKN-SECBINFHSA-N 313.321 -0.103 30 20 DBED CN1C[C@H](C(=O)N2CC(NC(=O)c3ccc(C#N)[nH]3)C2)CC1=O 990898201 BFIQJCXTBGIBEV-SECBINFHSA-N 315.333 -0.695 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@@H](NC(=O)Cc2nc[nH]n2)[C@H](O)C1 991807199 USMXHGUPDCPINO-GHMZBOCLSA-N 321.381 -0.363 30 20 DBED C#CCN1CC[C@]2(NC(=O)CN3CC(=O)N(C)C3=O)CCC[C@H]12 992396123 LCTQNMLYNFVTOU-BLLLJJGKSA-N 318.377 -0.373 30 20 DBED N#Cc1cc(C(=O)N2CC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c[nH]1 1001796906 UCIUFYLDNIVXOY-VXGBXAGGSA-N 317.305 -0.260 30 20 DBED C=CCn1cc(C(=O)NCC2CN(C(=O)[C@@H]3CCCO3)C2)nn1 1001959912 DONVHZCGGAJKGV-ZDUSSCGKSA-N 319.365 -0.169 30 20 DBED C#CCCN1CCC[C@@H](NC(=O)[C@H]2CN(C(C)=O)CCO2)C1 1009389933 VZZNKILNYKBQKR-HUUCEWRRSA-N 307.394 -0.162 30 20 DBED N#Cc1ccc(C(=O)NC2[C@@H]3CN(C(=O)Cn4cccn4)C[C@@H]23)[nH]1 1012970914 GHLWESSMBLQPBG-VXGBXAGGSA-N 324.344 -0.030 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)C1 1015992974 SZVDGAMURZJHKO-JTQLQIEISA-N 300.322 -0.755 30 20 DBED C#CCN[C@H]1CCN(C(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 1018838992 JVLRXDBAJHKYPS-RYUDHWBXSA-N 301.350 -0.414 30 20 DBED CS[C@@H](C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 1023455433 ZRWRGBIPAHESKY-XXILOJSOSA-N 322.390 -0.061 30 20 DBED C#CCN1CCC(C(=O)NC[C@@H]2CCCN2[C@H](C)C(N)=O)CC1 1028333869 RWYITXDRFZCWHW-HIFRSBDPSA-N 320.437 -0.214 30 20 DBED N#Cc1ccc(C(=O)NC[C@H]2CCN([C@@H]3CCNC3=O)C2)[nH]1 1028491168 STVANWJHWJPUQG-ZWNOBZJWSA-N 301.350 -0.173 30 20 DBED C#CCCN1CC[C@@H](N(C)C(=O)C2CC3(C2)NC(=O)NC3=O)C1 1033500160 VWMDVZCIHSBCLQ-BWBHSNQOSA-N 318.377 -0.469 30 20 DBED CCN(C(=O)[C@@H]1CCc2nnc(O)n2C1)[C@@H]1CCN(CC#N)C1 1033878936 VUPKYWVFFGIKLM-VXGBXAGGSA-N 318.381 -0.008 30 20 DBED CN1CCN(CC(=O)N[C@@H]2CCCCN(CC#N)C2)CC1=O 1034279255 QMYZMAOIOZZNQQ-CYBMUJFWSA-N 307.398 -0.745 30 20 DBED Cc1ccc(=O)n(CC(=O)N2CC[C@@H]3[C@H](CCN3CC#N)C2)n1 1036874542 KUHZDDBGHAFVTA-ZIAGYGMSSA-N 315.377 -0.002 30 20 DBED C#CCN[C@H]1CCN(C(=O)CN2CC(=O)NC2=O)C[C@@H]1CC 1037941802 RKGIGAICZNPNJM-RYUDHWBXSA-N 306.366 -0.612 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCN1Cc1nnnn1C 1038255998 AEZPXWUWMVNZDU-UPJWGTAASA-N 320.397 -0.118 30 20 DBED CCc1nc(C#N)cc(N2C[C@H](NC(=O)C(N)=O)CC[C@@H]2C)n1 1039800036 AQGZDZZTXBSFDV-VHSXEESVSA-N 316.365 -0.131 30 20 DBED CCn1ccnc1C(=O)N1CC[C@@](O)(CNC(=O)[C@@H](C)C#N)C1 1040759935 DXFODCYIQZRMKB-XHDPSFHLSA-N 319.365 -0.244 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)C2=COCCC2)C1 1041979816 HZCQNGQGIMEAIW-GFCCVEGCSA-N 322.361 -0.592 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)Cn2ccc(C)n2)C1 1042801377 LFYLRLPJBNEQQC-UHFFFAOYSA-N 318.377 -0.315 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)[C@H](F)C(C)C)C1 1043039260 DSJWVIYZAZXBFJ-CYBMUJFWSA-N 314.357 -0.290 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)c2cnn(C)c2OC)C1 1044331346 MBDNRRQACHNXDI-UHFFFAOYSA-N 322.365 -0.302 30 20 DBED CC(=O)N1CCC[C@H](C(=O)N(C)[C@H]2CN(CC#N)C[C@@H]2O)C1 1047450026 NRUZFJKOCPXZRR-IHRRRGAJSA-N 308.382 -0.728 30 20 DBED C=CCCn1cc(C(=O)N(C)[C@H]2CN(C[C@H](C)O)C[C@@H]2O)nn1 1047557692 IDXQWPZVJLQWHM-UBHSHLNASA-N 323.397 -0.648 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3nncn3C2)C1 1047638752 HFMXACNITCPVRL-RDBSUJKOSA-N 317.393 -0.633 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2ccnn2C)C1 1048500606 NVOCEVHFKRDWKD-KBPBESRZSA-N 318.377 -0.133 30 20 DBED C#CCN1C[C@H]2CN(C(=O)[C@H]3CCCS(=O)(=O)C3)C[C@H]2C1 1049092801 MZSFSROBMFZWQN-MELADBBJSA-N 310.419 -0.165 30 20 DBED C#CCN1C[C@H]2CN(C(=O)Cn3c(C)cc(C)nc3=O)C[C@H]2C1 1049134929 QAPKAUPXELOPFH-GASCZTMLSA-N 314.389 -0.116 30 20 DBED C=CC(C)(C)C(=O)N(C)[C@H]1CN(C(=O)Cn2cncn2)C[C@@H]1O 1049180821 OZCQEEARVKDLNS-RYUDHWBXSA-N 321.381 -0.480 30 20 DBED Cc1cc(CC(=O)N2C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)C#N)C2)n[nH]1 1049388726 PJURYTAVPCABHT-ICCXJUOJSA-N 319.365 -0.550 30 20 DBED CC#CCN1CCOC[C@@H]1CNC(=O)c1cncc(OC)n1 1051147826 QAIMYUKVYQALAO-LBPRGKRZSA-N 304.350 -0.061 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)CC(=O)NC)C[C@H]1C 1052426638 CZGYYUQSEQYIKS-NEPJUHHUSA-N 311.382 -0.464 30 20 DBED C#CCN1CCC[C@H](NC(=O)CN2CCCS2(=O)=O)CC1 1052430193 POQMJWSDEOBXGJ-ZDUSSCGKSA-N 313.423 -0.374 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCOC2(CN(CCCO)C2)C1 1053291576 YCNQCETYNLFZSY-HNNXBMFYSA-N 321.421 -0.620 30 20 DBED Cc1cc(NC(=O)C(=O)N2CCOC3(CN(CC#N)C3)C2)no1 1053530817 GPANUZGGMMTERW-UHFFFAOYSA-N 319.321 -0.642 30 20 DBED C#CCN[C@H]1CN(C(=O)C2CC3(C2)CS(=O)(=O)C3)C[C@H]1C 1054797410 GLINUSPGQZNMSL-YPMHNXCESA-N 310.419 -0.119 30 20 DBED C=CC(C)(C)C(=O)NC1CCN(CCNC(=O)CC(N)=O)CC1 1055548007 ARKSAKIBQDOAME-UHFFFAOYSA-N 324.425 -0.229 30 20 DBED C=C[C@H](CC)CC(=O)NCCN1CCC(NC(=O)C(N)=O)CC1 1055620940 ZIDYIBGHRUXDDM-GFCCVEGCSA-N 324.425 -0.229 30 20 DBED C#CCOCCC(=O)N[C@]1(CO)CCCN(C(=O)[C@H](C)C#N)C1 1055944630 AOLLDPSMKYEQJX-CZUORRHYSA-N 321.377 -0.344 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCN(CCO)C(=O)COCC 1056865120 ZOYFGSMQHOFJHZ-CQSZACIVSA-N 302.371 -0.713 30 20 DBED N#Cc1ccc(C(=O)NCCN(CCO)C(=O)c2cocn2)[nH]1 1057198168 QWMOKAFCDGYCNP-UHFFFAOYSA-N 317.305 -0.261 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)C[C@@H]1COC(=O)C1 1057348089 UIJQWRGISOCOLW-ZDUSSCGKSA-N 324.377 -0.320 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)c1cn(C)c(O)n1 1057442604 MVMFRAUPUHMRMG-UHFFFAOYSA-N 322.365 -0.520 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)c1cc[n+]([O-])cc1 1057517288 ONLBWAHXDCMOJW-UHFFFAOYSA-N 319.361 -0.470 30 20 DBED N#Cc1nccnc1N[C@H]1CCCN(C(=O)[C@H]2CCNC2=O)C1 1057725169 VEPHYWXUDAFCEW-QWRGUYRKSA-N 314.349 -0.113 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCCN(CCO)C(=O)c1cnco1 1058196380 PRDBGXPHEWNSPL-NEPJUHHUSA-N 323.349 -0.184 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)[C@H](CC)NC(C)=O 1058925849 BVILIDQNCRJRJW-ZDUSSCGKSA-N 313.398 -0.196 30 20 DBED Cc1c(C(=O)N[C@H]2C[C@H](N=c3cc[nH]c(C#N)n3)C2)nnn1C 1059189732 WRBYFOWLJBRZBX-MGCOHNPYSA-N 312.337 -0.420 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](CCNC(=O)c2cn(C)nn2)C1 1060290131 XEHQBTRPNXVGGM-QWRGUYRKSA-N 304.354 -0.057 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H]1COCCN1C(=O)C(F)F 1061584928 OYIGVQNRHWESHV-NXEZZACHSA-N 304.293 -0.367 30 20 DBED N#Cc1nccc(N2CCO[C@H](CNC(=O)c3nc[nH]n3)C2)n1 1063639411 QENGTCJFZFJPBB-SECBINFHSA-N 314.309 -0.898 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CN(C(=O)CCn2cccn2)CCO1 1064872966 OPHLAWDWSDFGKV-OLZOCXBDSA-N 319.365 -0.224 30 20 DBED N#Cc1nccnc1N1C[C@H]2C[C@@H](NC(=O)C(N)=O)C[C@H]1C2 1065553743 JSXMRXLFEQWIGX-IVZWLZJFSA-N 300.322 -0.693 30 20 DBED CN(C(=O)c1ccc[nH]1)[C@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1065569836 HTRNIEMIMQHNRW-STQMWFEESA-N 312.333 -0.002 30 20 DBED N#Cc1nccc(N2C[C@H]3CN(C(=O)Cn4cncn4)C[C@H]3C2)n1 1066007426 JLHIZTCSTSJPHU-TXEJJXNPSA-N 324.348 -0.465 30 20 DBED N#Cc1cncc(N2CCOC[C@H]2CNC(=O)c2cnn[nH]2)n1 1066532128 XCBRLRDMCKZKTQ-SNVBAGLBSA-N 314.309 -0.898 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCCN(C)C(=O)C[C@@H](C)NC(N)=O 1067434535 QCWDEXIYFVIELF-WDEREUQCSA-N 311.386 -0.100 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](CNC(=O)c3ccccn3)C2)nn1 1067642254 AGLWMSDPEOJYHH-BXUZGUMPSA-N 324.344 -0.030 30 20 DBED C=CCC1(C(=O)N[C@H]2COC3(C2)CN(C(=O)C(N)=O)C3)CCC1 1069018821 LQPFHZKTYYZTNE-LLVKDONJSA-N 321.377 -0.296 30 20 DBED C[C@@H]1C[C@@H](Nc2nccnc2C#N)CN1C(=O)c1nnn(C)n1 1069177821 GIVZXCPGWYUKBE-RKDXNWHRSA-N 313.325 -0.413 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@]23COC[C@@H]2C3)C1 1069931908 QGBDKDGBLYQOIL-XFMPKHEZSA-N 301.350 -0.711 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCCN(C(=O)[C@@H](CC)OC)C1 1070520077 GLAZFRWLINPYRQ-CHWSQXEVSA-N 323.393 -0.342 30 20 DBED C#CCCCC(=O)N[C@H]1CN(C(=O)C2(NC(N)=O)CC2)C[C@H]1C 1071925263 ITTVYNRUJKKVNX-NEPJUHHUSA-N 320.393 -0.046 30 20 DBED C=CCCC(=O)N[C@@H]1CN(C(=O)C2CC(=O)NC(=O)C2)C[C@H]1C 1072387515 JGTFAWVYDNYPNO-ZYHUDNBSSA-N 321.377 -0.032 30 20 DBED COc1ncc(C(=O)NC[C@H]2CN(CC#N)CCCO2)cn1 1073841230 FLWUIWYRKCTHDQ-LBPRGKRZSA-N 305.338 -0.171 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)[C@H]2CCCS2(=O)=O)C1 1073896042 JLJBUUAYXFBVIJ-CHWSQXEVSA-N 314.407 -0.596 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)[C@@H]2COCCN2C(C)=O)C1 1073896145 LUGYIECQAQYRGM-GJZGRUSLSA-N 323.393 -0.926 30 20 DBED CC(=O)N1CCC[C@@H]1C(=O)NC[C@H]1CN(CC#N)CCCO1 1073901776 FGHOKYLTQISQDL-UONOGXRCSA-N 308.382 -0.272 30 20 DBED CC(C)C#CC(=O)N[C@H]1CCN(C(=O)c2nnn(C)n2)C[C@H]1C 1073938574 OKZAHRAXVQZIGW-NEPJUHHUSA-N 318.381 -0.164 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)c3cnnn3CC)C[C@@H]21 1074236879 RTZAZHORDMNTHV-KBPBESRZSA-N 303.366 -0.154 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)c3cn(C)c(O)n3)C[C@@H]21 1074332511 YUMMDIQJPGTUIM-STQMWFEESA-N 304.350 -0.326 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@@H]3OCCN(CCO)[C@@H]3C2)nc1 1074385025 QBXRZQLVNPEULM-CVEARBPZSA-N 315.373 -0.030 30 20 DBED C=CCO[C@H](C)C(=O)N1CCC(O)(CNC(=O)COC)CC1 1074622339 GECTYBNIMBPZIL-GFCCVEGCSA-N 314.382 -0.306 30 20 DBED C=C[C@@H](CC)CC(=O)NCC1(O)CCN(C(=O)C(N)=O)CC1 1074703471 GRGHUPHMMLQLHL-NSHDSACASA-N 311.382 -0.456 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(O)(CNC(=O)[C@@H]2CCN(C)C2)CC1 1074706629 NPHQRKRLXKSOQI-QWHCGFSZSA-N 322.409 -0.433 30 20 DBED C=CCCOCC(=O)NCC[C@H](C)NC(=O)CNC(=O)NC 1077065360 ZRJJTIGWMQZJRP-NSHDSACASA-N 314.386 -0.481 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)c2cc3c(cn2)OCCO3)C1 1077149766 XBZXQRBNFUWGKA-CHWSQXEVSA-N 317.345 -0.349 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2c[nH]nc2[C@@H]2CCOC2)C1 1077456064 VTGPBDKLBOKHBO-RAIGVLPGSA-N 304.350 -0.678 30 20 DBED C[C@@H](C#N)C(=O)N1CCCO[C@@H](CNCc2nnn(C)n2)C1 1078358195 LHYZWKVSDOIXPQ-QWRGUYRKSA-N 307.358 -0.923 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)c2cn[nH]c2)C[C@H]1O 1081463950 UMSIRHYLIWMVLW-CHWSQXEVSA-N 304.350 -0.382 30 20 DBED C=CCCOCC(=O)NC[C@@H]1CN(C(=O)c2ncc[nH]2)C[C@H]1O 1081569108 KPQNXNIHHMAUPU-VXGBXAGGSA-N 322.365 -0.449 30 20 DBED C#CCCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)Cc2cnc[nH]2)C1 1081800352 NKSFUBNGFZPNRD-TZMCWYRMSA-N 318.377 -0.309 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCCN2c2ncccn2)C1 1083539201 KSDWJZNUFPUKFF-MCIONIFRSA-N 317.393 -0.207 30 20 DBED C[C@H]1CCn2cc(C(=O)N[C@@H]3CN(CC#N)C[C@@H]3O)nc2C1 1083568603 GXXFVAPGSLISFA-LOWVWBTDSA-N 303.366 -0.236 30 20 DBED N#CCN[C@H]1C[C@@H](CNC(=O)c2ccc(S(N)(=O)=O)o2)C1 1086137673 UAXITEVSENADPH-DTORHVGOSA-N 312.351 -0.451 30 20 DBED N#CCN[C@H]1C[C@H](CNC(=O)c2cn([C@H]3CCOC3)nn2)C1 1086529430 OUDHWPCMZSPZLR-SRVKXCTJSA-N 304.354 -0.139 30 20 DBED Cn1cc([C@@H]2CN(C(=O)c3cccnn3)C[C@H]2NCC#N)cn1 1087003193 JIZCPMJEWJCCLI-GXTWGEPZSA-N 311.349 -0.069 30 20 DBED C#CCCN1C[C@H]2CC[C@H]1[C@H]1CN(C(=O)Cn3cnnn3)C[C@H]21 1087335090 GBBSSVZOAPCZLJ-KBXIAJHMSA-N 314.393 -0.135 30 20 DBED CC(C)[C@@H](O)C(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1O 1090408090 KZKDTZHUAKZHSN-NQBHXWOUSA-N 305.338 -0.969 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(c2cncc(Cl)n2)C[C@H]1O 1090488983 VEWZMFNYMRYZBL-GMTAPVOTSA-N 324.768 -0.166 30 20 DBED C#CCNC(=O)CC(=O)N1CCN(c2cnc(F)cn2)CC1 1093149144 ZVCWIAPRMZMAND-UHFFFAOYSA-N 305.313 -0.596 30 20 DBED C=CCN1C[C@@H](C)[C@H](CNC(=O)[C@@H]2CCS(=O)(=O)N2)C1 1093203235 LWIPVOJNYHFPOF-UTUOFQBUSA-N 301.412 -0.452 30 20 DBED CC(=O)N(C)CC(=O)N[C@H]1[C@@H]2CN(c3ccncc3C#N)C[C@@H]21 1093218255 SCIFHEPLFPAEKR-VIKVFOODSA-N 313.361 -0.018 30 20 DBED N#Cc1cnc(N2C[C@H]3C(NC(=O)CCc4cnn[nH]4)[C@@H]3C2)cn1 1093361834 QYCKCFVTVTWGNZ-VXGBXAGGSA-N 324.348 -0.350 30 20 DBED N#Cc1cccnc1NCCNC(=O)CC[C@H]1NC(=O)NC1=O 1093624569 PZCBIPSDTHYMNJ-SNVBAGLBSA-N 316.321 -0.530 30 20 DBED COCC(=O)N[C@H](C)C(=O)NCCNc1nc(C)ccc1C#N 1094185246 MFFDYRCEUYHWRB-LLVKDONJSA-N 319.365 -0.059 30 20 DBED N#CCN1CC(n2cc(CNC(=O)[C@@H]3[C@H]4COC[C@H]43)nn2)C1 1094311031 FVQHRUAKLVCSJX-ITGUQSILSA-N 302.338 -0.833 30 20 DBED N#CCN1CC(N2C[C@@H](NC(=O)c3cc(F)c[nH]3)CC2=O)C1 1094759777 BJSADIWVFWPLFH-JTQLQIEISA-N 305.313 -0.308 30 20 DBED Cn1c(O)ncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC#N)c1=O 1095857609 FKZKPYXHNHGCFC-MIMYLULJSA-N 303.322 -0.655 30 20 DBED C[C@H](CNC(=O)C[C@@H](C)NC(N)=O)N=c1cc[nH]c(C#N)n1 1098076889 ZWDRATFOLZTJRH-RKDXNWHRSA-N 305.342 -0.866 30 20 DBED C[C@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)N=c1cc[nH]cc1C#N 1098213629 LZIDNMDTZUTECK-SKDRFNHKSA-N 302.338 -0.685 30 20 DBED CC#CCN(CCO)C1CCN(C(=O)c2cn(C)nn2)CC1 1098358619 OHCZHFVQXOEPRP-UHFFFAOYSA-N 305.382 -0.263 30 20 DBED CN1CCN(CC(=O)N[C@]23CCC[C@H]2CN(CC#N)C3)CC1=O 1098912432 IOPXPJQESYCXSK-BBRMVZONSA-N 319.409 -0.745 30 20 DBED CN1C[C@@H](C(=O)N2C[C@@H](NCC#N)[C@H](C(F)(F)F)C2)CC1=O 1099260098 SIISJNRWNRXTGG-IVZWLZJFSA-N 318.299 -0.033 30 20 DBED C[C@H](CCNC(=O)[C@H]1CCNC1=O)Nc1cncc(C#N)n1 1099617222 SELKXGLWQLKEPN-MWLCHTKSSA-N 302.338 -0.209 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)c2coc(C)n2)[C@@H](O)C1 1099792681 XYWYZROTGQWABO-YPMHNXCESA-N 322.365 -0.550 30 20 DBED CCn1ncnc1CN1CC[C@@H](NC(=O)C#CC2CC2)[C@@H](O)C1 1099824757 YQYQJQXYIBHFNT-KGLIPLIRSA-N 317.393 -0.237 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CCN(CC(=O)NCC#N)C[C@H]2O)C1 1099993447 ASKDBLNXNFRUGQ-CHWSQXEVSA-N 320.393 -0.466 30 20 DBED C#CCN1CC[C@H](NC(=O)C(C)(C)NC(=O)NCC)[C@@H](O)C1 1100024946 RIQXZUJZUDHIOS-RYUDHWBXSA-N 310.398 -0.731 30 20 DBED C#CCCN1CC[C@@H](NC(=O)C(C)(C)NC(=O)NCC)[C@@H](O)C1 1100024978 ROCVQRWRMZPMKZ-OLZOCXBDSA-N 324.425 -0.341 30 20 DBED C=CCCN1CC[C@H](NC(=O)CCc2cn(C)nn2)[C@@H](O)C1 1100147018 BDKYUWDAPOTGKN-KBPBESRZSA-N 307.398 -0.125 30 20 DBED Cc1ccc(C#N)c(N(C)CCNC(=O)[C@@H]2CCNC2=O)n1 1100268465 APESGWRPTMOKIO-GFCCVEGCSA-N 301.350 -0.050 30 20 DBED C[C@H](C(=O)NCCN(C)c1ccc(C#N)cn1)S(C)(=O)=O 1100394247 UKVROTIFPHKWIG-SNVBAGLBSA-N 310.379 -0.061 30 20 DBED C[C@@H]1CN(C)C[C@H](C(=O)NCCN(C)c2cncc(C#N)n2)O1 1100407267 JXDGGHBKUVGEBT-DGCLKSJQSA-N 318.381 -0.380 30 20 DBED CCC(=O)NCC(=O)NCCN(CC)c1cnc(C#N)cn1 1100469078 FOGIDLHJUINGMF-UHFFFAOYSA-N 304.354 -0.183 30 20 DBED C=CCNC(=O)CNC1CC(CNC(=O)c2ccn(C)n2)C1 1100982178 MEPJZMFFRYZIMI-UHFFFAOYSA-N 305.382 -0.180 30 20 DBED CNC(=O)C1(C(=O)NC[C@@H]2CN(CC#CCOC)C[C@H]2C)CC1 1102464818 CVGILFCRXIEEGC-ZIAGYGMSSA-N 321.421 -0.154 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)[C@H]1COC(=O)N1 1104546192 ZGOVEJLXLZGSDL-DTWKUNHWSA-N 304.310 -0.863 30 20 DBED CN(CCN(C)c1ccnc(C#N)n1)C(=O)C[C@@H]1CCC(=O)N1 1105430393 JLAWGVBKZCDBKM-NSHDSACASA-N 316.365 -0.088 30 20 DBED CC(=O)CCCC(=O)NC[C@H](O)CNc1ccc(C#N)nn1 1105719767 LYBVGZKXEWWGRG-GFCCVEGCSA-N 305.338 -0.003 30 20 DBED N#Cc1nccnc1NC[C@@H](O)CNC(=O)[C@@H]1CCCOC1 1105741407 FWURLJYMCUBJNQ-GHMZBOCLSA-N 305.338 -0.336 30 20 DBED CO[C@@H](C(=O)N1C[C@@H](C)[C@H](CNCC(=O)NCC#N)C1)C1CC1 1106071599 KKKDZMPOFXTFKA-UXIGCNINSA-N 322.409 -0.265 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)c2c[nH]c(=O)cn2)cn1 1106091478 VJKVJUCYLRHQLL-NSHDSACASA-N 314.305 -0.761 30 20 DBED CCN(CCNc1cnc(C#N)cn1)C(=O)Cn1nccn1 1106859136 OCHCPSDVWCTYSC-UHFFFAOYSA-N 300.326 -0.100 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)C[C@H]1C 1106958951 CSMFRCVHQNLXBM-VXGBXAGGSA-N 306.366 -0.754 30 20 DBED C[C@]1(C(=O)NC/C=C\CNc2cncc(C#N)n2)CNC(=O)C1 1107421505 GQGZFCSBVDKVDF-MPNWYJEXSA-N 314.349 -0.041 30 20 DBED C[C@@H](CC(N)=O)C(=O)NC/C=C\CNc1cnc(C#N)cn1 1107453492 ZALRSTYIJMGYEK-ZMWSMAPVSA-N 302.338 -0.056 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)[C@]2(C)CCNC(=O)C2)C1 1108024537 MIMXBGGMYPWOBS-CVEARBPZSA-N 307.394 -0.257 30 20 DBED C[C@@]1(CNC(=O)CCCS(C)(=O)=O)CN(CC#N)CCO1 1108274603 IVTXUBHUYFGPQQ-CYBMUJFWSA-N 317.411 -0.458 30 20 DBED Cc1nc(CC(=O)N[C@@H](C)CNc2cnc(C#N)cn2)n[nH]1 1108357637 YIHACOGGCBMKQU-QMMMGPOBSA-N 300.326 -0.066 30 20 DBED CN1C[C@H](C(=O)NC[C@]2(C)CN(CC#N)CCO2)CCC1=O 1108422204 KPXNKHPYUWPXTG-IUODEOHRSA-N 308.382 -0.415 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)[C@H](C)N1CCOCC1 1108434994 FLHVGVFIRTZNEK-RYUDHWBXSA-N 318.381 -0.593 30 20 DBED CC(C)C[C@@H](C(N)=O)C(=O)N[C@@H](C)CN=c1cc[nH]c(C#N)n1 1108440355 TVRCXWDVHLMCHX-QWRGUYRKSA-N 318.381 -0.166 30 20 DBED N#CCN1CC(N2C[C@H](NC(=O)/C=C/c3ccc[nH]3)CC2=O)C1 1108537164 NPPUARTTYCFEEA-ITDFMYJTSA-N 313.361 -0.047 30 20 DBED C[C@@H](CN=c1cc[nH]cc1C#N)NC(=O)[C@H]1CCCNC1=O 1108570334 HLAZNLLKZQSXKL-JQWIXIFHSA-N 301.350 -0.182 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)[C@H](C)OCC=C)CC2=O)C1 1108594771 ZPGIMAFBHCQGCD-QWHCGFSZSA-N 305.378 -0.388 30 20 DBED C[C@@H](CNc1cncc(C#N)n1)NC(=O)[C@]1(C)CNC(=O)C1 1108610685 LRHICBRYOLHWDQ-XPTSAGLGSA-N 302.338 -0.209 30 20 DBED CC(=O)N[C@H](C)C(=O)N[C@H](C)CN(C)c1cnc(C#N)cn1 1108818572 ORYSZHVFNQBTPW-NXEZZACHSA-N 304.354 -0.186 30 20 DBED C[C@H](CN(C)c1ccc(C#N)nn1)NC(=O)CS(C)(=O)=O 1108836789 HHHBXUMTPOKFEK-SECBINFHSA-N 311.367 -0.666 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H](C)CN(C)c1nccn2nnnc12 1109102169 MYHYGKCLXXISKF-QWRGUYRKSA-N 317.353 -0.502 30 20 DBED C[C@@H](CN(C)c1cnc(C#N)cn1)NC(=O)[C@@H]1CCNC1=O 1109206516 WWWBCALZUBMSJU-GXSJLCMTSA-N 302.338 -0.575 30 20 DBED CNC(=O)CC(=O)NC[C@]1(O)CCN(c2ccc(C#N)nc2)C1 1111062805 QMVIOUSDDJOMBM-OAHLLOKOSA-N 317.349 -0.853 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@]1(C)CCOC1 1111182914 HLTGTAHRPDOGTP-VWPFQQQWSA-N 319.405 -0.116 30 20 DBED CC[C@@H](C(=O)N(CCO)CCN=c1cc[nH]c(C#N)n1)N(C)C 1111492473 AHPMLSLGCTULGZ-LBPRGKRZSA-N 320.397 -0.657 30 20 DBED N#Cc1nccnc1NCC[C@@H]1CCN(C(=O)CNC(N)=O)C1 1111593160 DQNDJKQXPMOPGO-SNVBAGLBSA-N 317.353 -0.333 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1COCCN1c1ccnc(C#N)n1 1111662812 HKNYHYHHTHAEOY-QWRGUYRKSA-N 300.322 -0.171 30 20 DBED N#CCSCC(=O)N1C[C@@H](NCC(N)=O)[C@H](C(F)(F)F)C1 1112053162 WKQUJBRNWVQGGQ-HTQZYQBOSA-N 324.328 -0.293 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)c2conc2C)CC1 1113287660 PEWQHMAYGSRWGL-GFCCVEGCSA-N 304.350 -0.121 30 20 DBED C[C@H](CNC(=O)COCCN(C)C)N(C)c1cnc(C#N)cn1 1113659181 OSFZLVBMAZGPCN-GFCCVEGCSA-N 320.397 -0.133 30 20 DBED C[C@@H](CNC(=O)[C@H]1CN(C)C(=O)N1)N(C)c1cncc(C#N)n1 1113802714 SMVFGWWJVMHIGJ-GXSJLCMTSA-N 317.353 -0.687 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1[C@@H]2CN(Cc3nocc3C)C[C@@H]21 1114159299 CJBSUJASUKHICG-ATCWAGBWSA-N 316.361 -0.331 30 20 DBED N#CCNC(=O)CN1C[C@H]2C(NC(=O)Cc3ccoc3)[C@@H]2C1 1114166490 SQPDVFDIVLUMDH-VXGBXAGGSA-N 302.334 -0.492 30 20 DBED CC(C)C#CC(=O)NC1[C@@H]2CN(CCN3CCNC3=O)C[C@@H]12 1114247488 LOLNGTZSTDKNLK-CHWSQXEVSA-N 304.394 -0.283 30 20 DBED Cc1nsc(N2C[C@@H]3C(CNC(=O)C(N)=O)[C@H]3C2)c1C#N 1114620583 SRNZRDJZXYUUHN-NXEZZACHSA-N 305.363 -0.393 30 20 DBED CNC(=O)CC(=O)N1CCC(N(C)c2cnc(C#N)cn2)CC1 1115137149 NLNLPKPMDHLUBE-UHFFFAOYSA-N 316.365 -0.088 30 20 DBED C=CCN1C[C@H]2[C@H](NC(=O)CCNC(=O)c3cnccn3)[C@H]2C1 1115261673 VWPNJSDWYHDAIE-JYAVWHMHSA-N 315.377 -0.171 30 20 DBED C#CCN1CCC(C(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)CC1 1117532326 BUYAQCZQHYVLMU-HZPDHXFCSA-N 305.422 -0.001 30 20 DBED C#CC1CCN(C(=O)C(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)CC1 1118153896 XTZSXOOKSUDHMU-ZDUSSCGKSA-N 317.389 -0.015 30 20 DBED N#CCNC(=O)CNC(=O)N1CCC(N2CCOC2=O)CC1 1118603391 YPFVIGUDIHQJTD-UHFFFAOYSA-N 309.326 -0.748 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1Cn1nnnc1N1CCCNC(=O)C1 1120204627 ULEQWFXCDPVMFX-YPMHNXCESA-N 306.370 -0.019 30 20 DBED N#Cc1cnc(N[C@H](CO)CNC(=O)COCC2CC2)cn1 1121092673 PYDHZKOIFSVCQT-LBPRGKRZSA-N 305.338 -0.336 30 20 DBED CN1CCC[C@@H]1C(=O)NC[C@H](CO)Nc1ccc(C#N)cn1 1121240150 GBSLAKOXKHPJFF-CHWSQXEVSA-N 303.366 -0.064 30 20 DBED CC(C)C#CC(=O)NC[C@@H](CO)Nc1ncnc2c1nnn2C 1121519953 CHFJOHLALXQOED-JTQLQIEISA-N 317.353 -0.693 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)c2ccc(O)nc2)nn1 1121550646 WLSFQQDYDFMMLS-NSHDSACASA-N 314.305 -0.348 30 20 DBED Cc1nc(N[C@@H](CO)CNC(=O)C(C)(C)C(N)=O)ccc1C#N 1122198951 YCOPJEQNDGQPMZ-LLVKDONJSA-N 319.365 -0.338 30 20 DBED C=C(C)CN(CC)C(=O)[C@@H](C)NCCNC(=O)CNC(C)=O 1122711107 XAOUCRMMYPZLEM-GFCCVEGCSA-N 312.414 -0.359 30 20 DBED CC(=O)NCC(=O)N(C)C[C@@H](O)CN=c1cc(C)[nH]cc1C#N 1124085755 CJBVXFOAIXZYGW-ZDUSSCGKSA-N 319.365 -0.949 30 20 DBED CN1CC[C@H](C(=O)N(C)C[C@H](O)CNc2cnc(C#N)cn2)C1 1124351890 JBYZLUAGCISCJY-WCQYABFASA-N 318.381 -0.469 30 20 DBED CN(C)CCC(=O)N(C)C[C@@H](O)CNc1cncc(C#N)n1 1124708916 JZRLXJVUWYLVIB-LBPRGKRZSA-N 306.370 -0.469 30 20 DBED C#CCOCCC(=O)N(C)C[C@@H](O)CN(C)c1cnc(F)cn1 1125162785 UMZHGGYPONDFJQ-LBPRGKRZSA-N 324.356 -0.089 30 20 DBED C#CCNC(=O)CC(=O)NCCNCc1noc(C2CCC2)n1 1125998359 PDPWLMJPKDLLLI-UHFFFAOYSA-N 319.365 -0.318 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CCc2nnc(CNCCCO)n2CC1 1127963979 CSTPWSMJYPUKNK-VXGBXAGGSA-N 320.397 -0.269 30 20 DBED Cc1nnc(CC(=O)NCc2cnn3c2CN(CC#N)CC3)o1 1128337387 JVXWAKRDIAQQGS-UHFFFAOYSA-N 315.337 -0.227 30 20 DBED CC#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H](C)NC(C)=O)C1 1128652649 NZKYNEHKOQYBQG-BNOWGMLFSA-N 318.381 -0.833 30 20 DBED COCCCN[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1n1ccnn1 1129678134 WTCHITLEWWDSMJ-UPJWGTAASA-N 306.370 -0.184 30 20 DBED C=C(C)CN[C@@H]1CN(C(=O)CC(=O)NCC)C[C@@H]1n1ccnn1 1129798003 KRZUWLLDFUFWRJ-OLZOCXBDSA-N 320.397 -0.278 30 20 DBED C#CCCN[C@@H]1CN(C(=O)Cc2cnc[nH]2)C[C@@H]1n1ccnn1 1130024570 WXNRPNDINWSIPW-KGLIPLIRSA-N 313.365 -0.391 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1c(NC(C)=O)c[nH]c1C 1130604841 DXYSVKOPWXSEFF-UHFFFAOYSA-N 319.365 -0.650 30 20 DBED C#CCCCC(=O)NCc1nc([C@@H]2COCCN2CCO)n[nH]1 1130845658 MCBCALLJZBIWML-LBPRGKRZSA-N 321.381 -0.410 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cc(C(F)F)n(C)n1 1131355536 YGNFJLGYHZMJKY-UHFFFAOYSA-N 313.308 -0.574 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)C(C)(C)NC(C)=O)CC1 1131388527 PTQLWSJLDLDUDQ-UHFFFAOYSA-N 324.425 -0.262 30 20 DBED C=CCOCC(=O)N[C@H]1CC[C@@H](C)N(Cc2nc(=O)n(C)[nH]2)C1 1131946203 HSENFPMOEXOHGR-NEPJUHHUSA-N 323.397 -0.220 30 20 DBED C[C@@H]1CC[C@@H](NC(=O)CC(=O)N(C)C)CN1CC(=O)NCC#N 1132343559 JBSRCZJCTWUQPK-VXGBXAGGSA-N 323.397 -0.926 30 20 DBED CC#CCCCC(=O)NCCNC[C@H](O)CN1C(=O)CCC1=O 1132593005 LVUVGYVEEUHFTF-ZDUSSCGKSA-N 323.393 -0.604 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)c1nnn(CC)c1CC 1133762483 APHYSLQGAVDOTF-NSHDSACASA-N 322.413 -0.130 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)COCC(F)F 1135071448 TUVCWRNGLBNJLX-MNOVXSKESA-N 319.352 -0.110 30 20 DBED C=CCNC(=O)CNCCNC(=O)C[C@@H]1CCCCN1C(C)=O 1135202013 YTQMWHCZYOQZFP-AWEZNQCLSA-N 324.425 -0.215 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC2(CCN(CCOCCO)C2)C1 1147422525 POHKVTZFNKIQQP-OAHLLOKOSA-N 312.410 -0.143 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC2(CCN(CC(=O)N(C)C)C2)C1 1147440706 OVEAEPSRQOEPPD-HNNXBMFYSA-N 309.410 -0.064 30 20 DBED CO[C@@](C)(C(=O)NCCNCC(=O)NCC#N)c1ccccc1 1148204015 WYGSWDHEEZFADT-MRXNPFEDSA-N 318.377 -0.106 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)CCCN(C)C(C)=O 1149247979 NPVZCMQFLUSBHZ-LBPRGKRZSA-N 312.414 -0.359 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)C[C@@H]1CCOC1 1152500458 WXOOFZGRURIBFY-KGLIPLIRSA-N 309.410 -0.011 30 20 DBED COCc1nc(C(=O)NCCNCC(=O)NCC#N)cs1 1153366873 UVBXDFHPDSUVEI-UHFFFAOYSA-N 311.367 -0.751 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CC12CCOCC2 1153865575 KBRMJYUZTLCWND-CHWSQXEVSA-N 307.394 -0.353 30 20 DBED O=C(C#CC1CC1)NCCCNCC(=O)Nc1cnccn1 1157705052 JQFJAUNJVVLSDK-UHFFFAOYSA-N 301.350 -0.076 30 20 DBED C=C[C@@](C)(CCOC)C(=O)NCCCNCC(=O)NC(N)=O 1163344439 GXJRHCHIZRDASS-AWEZNQCLSA-N 314.386 -0.494 30 20 DBED C=CCNC(=O)CNCC1(CCNC(=O)CN(C)C(C)=O)CC1 1163490995 SMMBRPSYRDFGQZ-UHFFFAOYSA-N 324.425 -0.357 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)c1c(C)nn(C)c1C 1163575880 ZDWJOVGJJPIIBC-GFCCVEGCSA-N 319.409 -0.116 30 20 DBED C=C[C@](C)(O)CC(=O)NCCC1(CNCC(=O)NCC#N)CC1 1164303360 LUOVLGSWBJQMRX-HNNXBMFYSA-N 322.409 -0.171 30 20 DBED CC#CCNCCCC[C@H](C)NC(=O)CNC(=O)CNC(C)=O 1171577338 QSWZJZWATOUWOH-ZDUSSCGKSA-N 324.425 -0.473 30 20 DBED C[C@@H](CCCCNCC#N)NC(=O)c1cnc(O)n(C)c1=O 1174623725 OGWAZFVLXRSJRY-JTQLQIEISA-N 307.354 -0.112 30 20 DBED C#CCC1(C(=O)N2CC[C@H]3OCCN(CC(N)=O)[C@H]3C2)CCC1 1177031848 ZCOVTCFNFRCOHQ-UONOGXRCSA-N 319.405 -0.033 30 20 DBED CC[C@H](NC(C)=O)C(=O)N1CC[C@H](NCC(=O)NCC#N)[C@@H]1C 1179573648 GWYQUUJESLGPPH-DRZSPHRISA-N 323.397 -0.880 30 20 DBED CC#CCNCCCCCCNC(=O)[C@@H]1CCS(=O)(=O)N1 1180289966 TVLYJMRWYSEEOZ-ZDUSSCGKSA-N 315.439 -0.032 30 20 DBED C#CCNC(=O)CNC[C@H]1CCN(C(=O)COCC)C[C@H]1C 1183808266 IEBUFHSHMPTHMX-ZIAGYGMSSA-N 309.410 -0.154 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2[nH]nnc2C)C1 1184784821 NOGVHXGWDBCCQG-GHMZBOCLSA-N 306.370 -0.392 30 20 DBED CC(C)[C@H](C(=O)N1CC[C@@H](NCC(=O)NCC#N)C1)N(C)C 1185446399 LKXBXUXDOZDERV-TZMCWYRMSA-N 309.414 -0.597 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)Cc2nonc2C)C1 1186695425 VMPRZHVMYPPPMA-VXGBXAGGSA-N 319.365 -0.751 30 20 DBED COc1cccc(C(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)n1 1186739397 PUBAAFRATRAGNL-LLVKDONJSA-N 317.349 -0.466 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)Cc2cncn2C)C1 1187092601 YERWFDJOUPNLOG-CHWSQXEVSA-N 319.409 -0.156 30 20 DBED CCCC(=O)N[C@@H]1CN(CC(=O)N(CC)CCC#N)C[C@H]1O 1190685045 QUULJDKDRRDRLB-CHWSQXEVSA-N 310.398 -0.290 30 20 DBED C=CCCO[C@H](C)C(=O)N[C@@H]1CN(CC(=O)NCC)C[C@H]1O 1191615485 XVUPKHRIJLSSMD-JHJVBQTASA-N 313.398 -0.735 30 20 DBED C#CCCCCC(=O)N[C@@H]1CN([C@@H]2CCC(=O)NC2=O)C[C@H]1O 1192320924 OJRPRZOOUHNAMW-JHJVBQTASA-N 321.377 -0.854 30 20 DBED CCn1nncc1CN1C[C@@H](O)[C@H](NC(=O)C#CC2CC2)C1 1192769785 BRHZWCGWFLJGSY-ZIAGYGMSSA-N 303.366 -0.627 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CN(C[C@@H]2CCNC(=O)CC2)C[C@H]1O 1192822342 YYYOZSHWTULVKJ-RRFJBIMHSA-N 319.405 -0.523 30 20 DBED CCO[C@@H](C(=O)N[C@@H]1CN(CC#CCOC)C[C@H]1O)C1CC1 1193056767 JKHALRXCRFKBIA-RBSFLKMASA-N 310.394 -0.387 30 20 DBED C=CCCCN1C[C@@H](O)[C@H](NC(=O)c2cnc(O)n(C)c2=O)C1 1195205386 RMAYUMYOHOUNMF-VXGBXAGGSA-N 322.365 -0.773 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCCN(C(=O)[C@H](C)COC)CC1 1195267481 KFNPHTZHQRXOJU-ZIAGYGMSSA-N 309.410 -0.059 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCCN(C(=O)c2cn(C)cn2)CC1 1195486966 AOVYTTTZRXRUND-CYBMUJFWSA-N 317.393 -0.294 30 20 DBED C=C[C@@](C)(CC)C(=O)N[C@@H]1CN(CC(=O)N2CCC2)C[C@H]1O 1195932747 WQEYJMCFYCHQTR-IOASZLSFSA-N 309.410 -0.018 30 20 DBED CCC(CC)CC(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1O 1197215722 RYVMMFLUYTUXIP-CHWSQXEVSA-N 310.398 -0.386 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCCN(Cc2nnn(C)n2)CC1 1198344770 WVIUFOVEZMQTDW-LBPRGKRZSA-N 308.386 -0.165 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H](CCCC)NC(N)=O)C1 1199345782 PXZHGHCRLNNCIB-JHJVBQTASA-N 310.398 -0.602 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CCN(C(=O)c2ccnn2C)CC1 1199657964 GKGWBJZRWGFWPS-GFCCVEGCSA-N 317.393 -0.248 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)C2=COCCO2)CCCO1 1199744154 JRBYXRWOGGWCTJ-CQSZACIVSA-N 324.377 -0.269 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)Cn2cncn2)CC1 1203624918 SKDNKIYSDQTNCR-UHFFFAOYSA-N 306.370 -0.839 30 20 DBED COCC#CCN[C@H]1C[C@H]2CC[C@H]1N(C(=O)CNC(C)=O)C2 1203915891 AVXJWAHLZOBSII-QLFBSQMISA-N 307.394 -0.259 30 20 DBED C#CCOCCC(=O)N1CCC(CN[C@@H]2CCNC2=O)CC1 1205259153 ULLZUDMBVAMZEQ-CQSZACIVSA-N 307.394 -0.257 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)[C@H](CC)OCC)[C@H](C)C1 1206378204 JCYPZJYUWCAAOZ-MCIONIFRSA-N 309.410 -0.013 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)CCCN(C)C)[C@H](C)C1 1208441438 GFKYPKCKOGXGQO-RBSFLKMASA-N 322.453 -0.097 30 20 DBED CO[C@@H]1CN(CC(=O)N(C)C(C)C)C[C@H]1NC(=O)[C@H](C)C#N 1212038888 AEEYHGIUFNFCIG-JHJVBQTASA-N 310.398 -0.172 30 20 DBED C=CCN1C[C@@H](NC(=O)CCn2cnccc2=O)[C@H](OC)C1 1213646900 WUIREQWIIMXHNX-CHWSQXEVSA-N 306.366 -0.365 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CCCC(=O)N(C)C 1218984609 ZSWTTYNKPCXEMJ-UONOGXRCSA-N 307.394 -0.210 30 20 DBED CCc1nc(C(=O)N[C@@H]2CN(CC#CCOC)C[C@@H]2O)co1 1219494293 OFGZQPHXRWZHNB-YPMHNXCESA-N 307.350 -0.338 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2cscn2)C[C@@H]1O 1219612037 WGYCEBBPBQHVAE-OLZOCXBDSA-N 309.391 -0.156 30 20 DBED C=CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3cncn3C)[C@@H]2C1 1221672742 QEERKJMZYPUZJE-TZMCWYRMSA-N 317.393 -0.131 30 20 DBED C#CCN1CCS(=O)(=O)[C@H](CCNC(=O)CCSC)C1 1230416195 BCQWIAHHGKMEPF-GFCCVEGCSA-N 318.464 -0.022 30 20 DBED CNCCCc1[nH]nc(NC(=O)C2(C(=O)NC)CC2)c1C#N 1253730960 MKCHOTVPXXDAIW-UHFFFAOYSA-N 304.354 -0.102 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N[C@@H]1CCC[C@H]1C(=O)NC 1261150999 KKHWQTZUHOLERA-CHWSQXEVSA-N 303.362 -0.498 30 20 DBED C=C(C)CCNC(=O)C(=O)Nc1ccc(=O)n(CC(N)=O)c1 1261512822 AHVKQLXFPUULCX-UHFFFAOYSA-N 306.322 -0.646 30 20 DBED CC(C)N1C[C@@H](NC(=O)C(=O)N2CCC(C#N)CC2)CC1=O 1324005258 UHTCFHMMKOKKMI-LBPRGKRZSA-N 306.366 -0.126 30 20 DBED C#C[C@@H](C)N(C)C(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1 1324685942 JSIDARYXHPHFFM-SECBINFHSA-N 309.347 -0.247 30 20 DBED C#CCCCNC(=O)C(=O)NC[C@H]1CC[C@@H](C(=O)N(C)C)O1 1324826874 VJTBTDHZTKHQLY-NEPJUHHUSA-N 309.366 -0.732 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)NCCCCn2ccnc2)C1 1326116999 SIIFBWCTYXIRFE-HNNXBMFYSA-N 319.365 -0.343 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)NCCC(F)(F)F 1327388287 ORWCTJCLEDNCMW-UHFFFAOYSA-N 316.301 -0.228 30 20 DBED CN(C)CCCN(C)C(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1329271349 AHIRHJHCECLCGI-CQSZACIVSA-N 321.425 -0.405 30 20 DBED C=CCNC(=O)Cn1nnnc1N1C[C@H](C2CC2)O[C@H](C)C1 1334104217 VBBJFOPXQOQVMN-ZYHUDNBSSA-N 306.370 -0.021 30 20 DBED Cn1c(CCCC#N)nnc1N1CC[C@@H]2OCC(=O)N[C@H]2C1 1340023617 XQSLZKQWNNJHSN-QWRGUYRKSA-N 304.354 -0.245 30 20 DBED N#CCCC[C@@H](N)C(=O)NCc1cccc(S(N)(=O)=O)c1 1348860372 OMHUBMIWIJFBSP-GFCCVEGCSA-N 310.379 -0.029 30 20 DBED CC(C)C[C@@H](CN)NC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1349802245 JTPVGHMODOYMGY-GXTWGEPZSA-N 321.425 -0.325 30 20 DBED CN(CCNC(=O)Cn1cc(C#N)c(O)nc1=O)CC(F)F 1363170817 IBOZVCASWBODGF-UHFFFAOYSA-N 315.280 -0.866 30 20 DBED COCCN(CCNC(=O)[C@H]1CCCC(=O)N1)C(=O)[C@H](C)C#N 1371146172 ODUDQIGNEDURNH-VXGBXAGGSA-N 324.381 -0.594 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(CCNC(=O)c2cnccn2)CC1 1372202085 GYHZYUMTFWJRIZ-LBPRGKRZSA-N 316.365 -0.490 30 20 DBED COCCn1ccc(C(=O)N[C@@H](C)CNC(=O)[C@H](C)C#N)n1 1373060866 FIQPURCVYNYEBH-MNOVXSKESA-N 307.354 -0.076 30 20 DBED Cc1nc(CC(=O)N[C@@H](C)C2CN(C(=O)[C@H](C)C#N)C2)n[nH]1 1383274690 MAIHWUYXDYMQKR-BDAKNGLRSA-N 304.354 -0.222 30 20 DBED COCCN(CCNC(=O)c1cnn(C)c1)C(=O)[C@H](C)C#N 1383295323 RKAYXMYFEULHAZ-LLVKDONJSA-N 307.354 -0.215 30 20 DBED CC(C)S(=O)(=O)CC(=O)N[C@@H]1CCN(C(=O)[C@H](C)C#N)C1 1385205417 DSXUMHIXSUPBQL-GHMZBOCLSA-N 315.395 -0.314 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@@H]1CCN(C(=O)CCS(C)(=O)=O)C1 1385383893 ZBRTYRYXWRIHIM-WDEREUQCSA-N 315.395 -0.360 30 20 DBED C[C@@H](CNC(=O)c1ccc(C#N)[nH]1)NC(=O)c1ncn(C)n1 1386718826 FYDRELXZAKNGKX-QMMMGPOBSA-N 301.310 -0.437 30 20 DBED CC(C)NC(=O)NC(=O)[C@H](C)N(C)CCNC(=O)[C@@H](C)C#N 1390742661 PYLZYGJQEUVRMM-QWRGUYRKSA-N 311.386 -0.183 30 20 DBED CCNC(=O)NC(=O)[C@@H](C)NCCN(CC)C(=O)[C@H](C)C#N 1392443869 WHFCCBUFUCSUEO-GHMZBOCLSA-N 311.386 -0.182 30 20 DBED C[C@H](C#N)C(=O)N1CC(NC(=O)[C@H](NC(N)=O)C(C)(C)C)C1 1398651112 WYKVJRKNHKVSJZ-SCZZXKLOSA-N 309.370 -0.444 30 20 DBED CCS(=O)(=O)CC(=O)NCC[C@@H](C)NC(=O)[C@H](C)C#N 1408471841 WHSDRQFUDKQSSM-NXEZZACHSA-N 303.384 -0.408 30 20 DBED C[C@@H](C#N)C(=O)N(C)C[C@H]1CCN(C(=O)CS(C)(=O)=O)C1 1408987283 SUJGIRAMQQJSRB-WDEREUQCSA-N 315.395 -0.502 30 20 DBED C[C@H](C#N)C(=O)N1CC(CNC(=O)C[C@@H]2CCN(C)C2=O)C1 1409151196 QHLSZOYXRZBKJU-PWSUYJOCSA-N 306.366 -0.411 30 20 DBED CC[C@@H](CNC(=O)c1nc2ncccn2n1)NC(=O)[C@@H](C)C#N 1409412279 VHXIYCSPGNVUFN-UWVGGRQHSA-N 315.337 -0.091 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)C1(c2cccnc2)CC1 1410145235 BKJMRZWDQRLENV-DGCLKSJQSA-N 316.361 -0.134 30 20 DBED C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)[C@@H]1COC(=O)N1 1410356473 QLKCEHJAAVQTHK-XVKPBYJWSA-N 305.294 -0.771 30 20 DBED CCOCC(=O)NC[C@H](O)CN(C)C(=O)c1cc(C#N)c[nH]1 1425776369 PIHVAYALQPVHRH-NSHDSACASA-N 308.338 -0.528 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1C 1432920597 CITJJMFTSZEQBB-UTUOFQBUSA-N 306.366 -0.126 30 20 DBED CNC(=O)NC(=O)[C@H](C)N1CC(NC(=O)c2cc(C#N)c[nH]2)C1 1438045339 UQHQJPHWKWCWMD-QMMMGPOBSA-N 318.337 -0.856 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C[C@@H]2CCNC(=O)CC2)C1 1440036109 BSIVGPNNPXUHDH-NEPJUHHUSA-N 308.382 -0.775 30 20 DBED CO[C@@H]1C[C@H](NC(=O)Cn2cc(C#N)c(O)nc2=O)C1(C)C 1445267177 YXGDHFYQGDKFLG-VHSXEESVSA-N 306.322 -0.250 30 20 DBED C[C@@H](C(=O)NC1CC1)N1CCN(CCNC(=O)[C@H](C)C#N)CC1 1479928177 HNQNADXADLAIRZ-OLZOCXBDSA-N 321.425 -0.453 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)[C@H](C)S(C)(=O)=O)C1 1494071992 RRCBKIPSOPNOJO-XKNYDFJKSA-N 301.368 -0.657 30 20 DBED CCN1C[C@H](C(=O)N(CC)CCNC(=O)[C@H](C)C#N)CC1=O 1496937641 JOJDVGYGLYWFMQ-VXGBXAGGSA-N 308.382 -0.021 30 20 DBED C#CCN(CC(=O)O)C(=O)C[C@H](O)CNC(=O)OC(C)(C)C 1573318314 NKQYVDUUVCAQPT-JTQLQIEISA-N 314.338 -0.192 30 20 DBED C=CCS(=O)(=O)CCNC[C@H]1CCCN(C(=O)CN)C1 1574948190 XBAQLRHOQOSXJV-GFCCVEGCSA-N 303.428 -0.626 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CN(CCc3cnn[nH]3)C[C@H]2O)c[nH]1 1577712487 OLLCIRMFTJETLO-CHWSQXEVSA-N 315.337 -0.978 30 20 DBED COC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC#N 1578812105 JEYFHYXANCTSCH-QWRGUYRKSA-N 310.354 -0.712 30 20 DBED Cn1c(N[C@@H]2CC[C@H](C#N)C2)c(-c2nn[nH]n2)c(=O)n(C)c1=O 1581752914 DSEKHNCIYLSLEX-JGVFFNPUSA-N 316.325 -0.632 30 20 DBED C=C(CCC(=O)O)C(=O)NCc1nnc2n1CCN(C)C2=O 1588630571 RNJAKOWAJQAJDA-UHFFFAOYSA-N 307.310 -0.599 30 20 DBED CC(C)(CC(=O)O)NC(=O)CCn1cc(C#N)c(O)nc1=O 1588756312 LMKDFCPGOLIPTK-UHFFFAOYSA-N 308.294 -0.420 30 20 DBED CS(=O)(=O)C1(CNC(=O)NCCn2cnc(C#N)n2)CC1 1647187198 AJFXDOHBALJJFE-UHFFFAOYSA-N 312.355 -0.974 30 20 DBED C#CCNC(=O)CNC[C@@H]1CCCCN1C(=O)[C@H]1CCN(C)C1 1725031240 DZQUOABXEPMCCN-GJZGRUSLSA-N 320.437 -0.342 30 20 DBED CN1CC[C@H](CC(=O)N[C@H]2CCCN(CC(=O)NCC#N)C2)C1 1752330154 ZFSYYCWAWWYIHS-KGLIPLIRSA-N 321.425 -0.451 30 20 DBED C=C(Cl)CN[C@H]1C[C@@H](NC(=O)CC[C@@H]2NC(=O)NC2=O)C1 1752774905 PHNZMTKUMCSEEJ-AEJSXWLSSA-N 314.773 -0.036 30 20 DBED C#CCCN[C@H]1CCC[C@@H](NC(=O)CS(=O)(=O)N(C)C)C1 1752980175 JYCZGGXLSQCSDO-QWHCGFSZSA-N 315.439 -0.082 30 20 DBED CN(CCNC(=O)c1cnc2cc[nH]c2c1)CC(=O)NCC#N 1753053583 QAYUWKRILYPQQK-UHFFFAOYSA-N 314.349 -0.136 30 20 DBED C=CCNC(=O)CN1CC[C@H](CNC(=O)CCc2cnn[nH]2)C1 1753136814 XZNULKHTXYDEAS-GFCCVEGCSA-N 320.397 -0.522 30 20 DBED C#CCNC(=O)[C@H](C)N1CC(NC(=O)c2ccncc2F)C1 1753373676 COJFIVXLEOKRMP-JTQLQIEISA-N 304.325 -0.227 30 20 DBED C#CCNC(=O)[C@H](C)N1CC(NC(=O)c2ncccc2OC)C1 1753391965 HJLUQDFZUOIVHV-NSHDSACASA-N 316.361 -0.358 30 20 DBED CN(C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)[C@@H]1CCN(CC(=O)NCC#N)C1 1753443903 GPNNMHKQBKNLEO-SYQHCUMBSA-N 320.393 -0.274 30 20 DBED C#CCNC(=O)CNC[C@H](C)CNC(=O)[C@H]1CCN(C)[C@@H](C)C1 1753636779 AMJONGWETRYYJD-KKUMJFAQSA-N 322.453 -0.192 30 20 DBED C#CCOCCC(=O)N(C)[C@H](C)CN[C@H](C)C(=O)NC(N)=O 1753690282 VGOVIJVBDNESEA-GHMZBOCLSA-N 312.370 -0.954 30 20 DBED CC#CCNC[C@@H](C)N(C)C(=O)C[C@]1(C)CCS(=O)(=O)N1 1753723941 QQMDZFVRRZLXBV-OCCSQVGLSA-N 315.439 -0.082 30 20 DBED C=CCN1CC[C@@H](NC[C@@H](CC(C)C)NC(=O)C(N)=O)C1=O 1753738045 BNZMTSRWXKQOCF-VXGBXAGGSA-N 310.398 -0.621 30 20 DBED C=CCNC(=O)CN[C@@H](CNC(=O)c1nccnc1N)C(C)C 1753826138 PPGQBHWRBYZWGA-NSHDSACASA-N 320.397 -0.295 30 20 DBED C#CCNC(=O)CNC[C@H]1CCC[C@@H]1NC(=O)Cc1cc[nH]n1 1753882319 KOICASCSJDLWON-OCCSQVGLSA-N 317.393 -0.424 30 20 DBED N#CCNC(=O)CNC[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1[C@H]2COC[C@H]21 1753895210 MBENOAVYRUZJNY-DKBOKBLXSA-N 320.393 -0.607 30 20 DBED C=CCCNC[C@@H](O)CNC(=O)c1ccc2c(c1)C(=O)NC2=O 1753933173 FLTLVZWINJOBDU-LLVKDONJSA-N 317.345 -0.173 30 20 DBED C#CCNC(=O)[C@@H](C)NCCN(CC)C(=O)c1cn(C)nn1 1754043120 CWBQDMLCRWGPFW-LLVKDONJSA-N 306.370 -0.995 30 20 DBED N#CCNC[C@@H](NC(=O)c1ccc(-n2cnnn2)cn1)C1CC1 1754446355 GYQDEPRWWJKZDB-CYBMUJFWSA-N 312.337 -0.321 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CNC(=O)CCc1nccn1C 1754498947 FLBUKMJNTYCZQO-CYBMUJFWSA-N 317.393 -0.707 30 20 DBED C#CCNC(=O)CNC1(CNC(=O)c2cncnc2CC)CC1 1754534249 JMUKQIYUOHTFJJ-UHFFFAOYSA-N 315.377 -0.360 30 20 DBED C#CCNC(=O)CNC[C@@]1(C)CCN(C(=O)CN(C)C(C)=O)C1 1754686222 BCBBZVFWBCCNGX-MRXNPFEDSA-N 322.409 -0.958 30 20 DBED C=C(C)CNC[C@@H]1CN(C(=O)CN2C(=O)CN(C)C2=O)CCO1 1755016114 VUPYJSMGSAJFLP-GFCCVEGCSA-N 324.381 -0.727 30 20 DBED C[C@@H](CC(N)=O)C(=O)N[C@@H]1CCCN(CC(=O)NCC#N)CC1 1755026213 KFCYACIUXYZDTH-NWDGAFQWSA-N 323.397 -0.892 30 20 DBED N#CCNC(=O)CN1CCC[C@H](NC(=O)C2=COCCO2)CC1 1755027177 FOGFVROMUFHMSX-LBPRGKRZSA-N 322.365 -0.515 30 20 DBED CC#CCN(C)[C@H](C)CNC(=O)[C@@H](C)NS(=O)(=O)CC 1755302976 JMDVPBICRKHPFM-VXGBXAGGSA-N 303.428 -0.226 30 20 DBED C#CCNC(=O)CNC[C@H]1C[C@H](NC(=O)c2ccnc(C)n2)C1 1755483603 PYIFSOVRDQGMEZ-JOCQHMNTSA-N 315.377 -0.368 30 20 DBED C#CCN[C@H](CO)CNC(=O)c1ccc2c(c1)NC(=O)CO2 1755632806 XUMWGFNQBWYLON-NSHDSACASA-N 303.318 -0.669 30 20 DBED C=CCN(C)C[C@H](O)CN(C)C(=O)C(=O)Nc1cc(C)on1 1755808091 OGMOPTNJROZBLQ-NSHDSACASA-N 310.354 -0.141 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(CCO)(NC(=O)[C@H]2CC23CC3)C1 1756089154 YDPIOZIBWUSLGP-QWHCGFSZSA-N 320.389 -0.096 30 20 DBED C[C@@H](C#N)C(=O)NCCCOCCNC(=O)c1cc[n+]([O-])cc1 1756395459 VZLAQNKBPJASPD-LBPRGKRZSA-N 320.349 -0.268 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N(CCN(C)C)CC(=O)O 1776398528 AHBOJZHTZYQMMG-JTQLQIEISA-N 306.388 -0.587 30 20 DBED CCC(=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC#N)C[C@@H]21 1790813794 SSCZQGGGLMHAFY-GVXVVHGQSA-N 307.350 -0.141 30 20 DBED CO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CC1 1795412541 OGRFRUPWZLMTKV-FVCCEPFGSA-N 321.377 -0.085 30 20 DBED C#CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CSCC(=O)OC 1847818341 DOOYPADEGIZLSZ-QWRGUYRKSA-N 310.375 -0.272 30 20 DBED Cn1c(NCc2cccc(C(N)=O)c2)c(C#N)c(=O)n(C)c1=O 26721277 YZQBZOHOWPKVLU-UHFFFAOYSA-N 313.317 -0.333 30 20 DBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCN(C)C 132495150 QVEJXUAYSZRNNL-LLVKDONJSA-N 324.406 -0.097 30 20 DBED CC(C)NC(=O)C/N=C(/N)N1CCN(c2ncccn2)CC1 262353513 UULSDHJZUNUTFJ-UHFFFAOYSA-N 305.386 -0.562 30 20 DBED N#Cc1ccc(NC(=O)N2CCN3C(=O)C(=O)NC[C@H]3C2)cc1 268578872 NOGSSPMBYODFSB-LBPRGKRZSA-N 313.317 -0.267 30 20 DBED O=C(C#Cc1ccc2c(c1)OCO2)NCC(=O)N1CCOCC1 271921337 HWLXDXMMUBTHCV-UHFFFAOYSA-N 316.313 -0.258 30 20 DBED CO/N=C/C(=O)N1CCN(CC(=O)Nc2nncs2)CC1 289344864 IHIRUOCRDBVJIL-AWNIVKPZSA-N 312.355 -0.747 30 20 DBED CN1CN(/C(O)=N/C[C@@H](N2CCOCC2)C(F)(F)F)CC1=O 329442934 KMNUSMIYUAXWKN-SECBINFHSA-N 324.303 -0.105 30 20 DBED O=C1NC[C@@H]2CN(C/C(O)=N/Cc3cccnc3)CCN2C1=O 330121292 GVBGZCGNXATRJO-GFCCVEGCSA-N 317.349 -0.819 30 20 DBED CCN1CCC[C@@H](CNS(=O)(=O)N2CCO[C@@H](C#N)C2)C1 336948792 QXJBONUQLUCJNV-STQMWFEESA-N 316.427 -0.223 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC(C)(C)CCCN)C1=O 340130315 JKSQRILTPOHSPH-UHFFFAOYSA-N 310.354 -0.403 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCN(C3CC3)C2)C1=O 340975568 GCKBCJAKOGPDMT-JTQLQIEISA-N 320.349 -0.684 30 20 DBED N#CCNC(=O)CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 343516584 IZYFYHNVHPYSIG-UHFFFAOYSA-N 306.234 -0.307 30 20 DBED C[C@H](NS(=O)(=O)c1ccccc1)C(=O)NCC(=O)NCC#N 344147549 CVEOAJCALVEJDS-JTQLQIEISA-N 324.362 -0.891 30 20 DBED C=CCNC(=O)NC(=O)CN1C[C@H](CC)S(=O)(=O)[C@H](C)C1 347323477 VRSXCJYPUNQEIT-MNOVXSKESA-N 317.411 -0.104 30 20 DBED C=CCCC[C@H](C)NC(=O)C(=O)N1CCO[C@H](C(=O)NC)C1 352316473 UXHNKIOWPNHRJS-RYUDHWBXSA-N 311.382 -0.179 30 20 DBED Cn1cc(C(=O)NCC(=O)c2ccc(C#N)cc2)c(O)nc1=O 356168558 ULWXRNSFDKFSFL-UHFFFAOYSA-N 312.285 -0.030 30 20 DBED CC[C@@](C)(O)CNC(=O)C(=O)Nc1nn(C(C)C)cc1C#N 359137105 DUGJMZNAEMTSPI-CQSZACIVSA-N 307.354 0.551 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1CCNC(=O)C[C@@H]1C 376984041 ALKARPRYZGMMKN-NSHDSACASA-N 318.399 -0.696 30 20 DBED CC(C)(CCNS(=O)(=O)N1CCO[C@@H](C#N)C1)C(=O)O 424387688 GOHHIWUTNHQRDJ-VIFPVBQESA-N 305.356 -0.454 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2ccc(C)nc2)CC1 491125642 GAXLCEGVBCOZPC-UHFFFAOYSA-N 300.362 -0.103 30 20 DBED N#Cc1ccc(OC[C@@H](O)CN2C[C@@H](CO)[C@H](CO)C2)cc1 528604361 DCNQWXVZQMVQMJ-KKUMJFAQSA-N 306.362 -0.169 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCC(NS(=O)(=O)NC)CC1 565368625 PHVZLBWOJGCWET-LBPRGKRZSA-N 305.400 -0.642 30 20 DBED CN(CCC#N)C[C@@H](O)CNCCNC(=O)c1cccnc1 565476294 NELUFWAXXLMYLZ-AWEZNQCLSA-N 305.382 -0.393 30 20 DBED C=CCn1cc(CNS(=O)(=O)N2CCC[C@@H]2C(=O)O)nn1 569689632 OPWGQSOQXWSPOY-SNVBAGLBSA-N 315.355 -0.653 30 20 DBED C=CCN(CCOC)C(=O)c1nc(N)nc(N2CCOCC2)n1 575808597 UMEQMYGTSGOHLK-UHFFFAOYSA-N 322.369 -0.435 30 20 DBED CC#CC[C@H](CO)NS(=O)(=O)c1csnc1C(=O)OC 592110195 AKXDTPLZCDSVIX-MRVPVSSYSA-N 318.376 -0.018 30 20 DBED Cn1c(N2CCC(C)(C(=O)O)CC2)c(C#N)c(=O)n(C)c1=O 592420015 XABHNLQEVSQNAD-UHFFFAOYSA-N 306.322 -0.353 30 20 DBED C=CCCSCCNC(=O)C(=O)N1C[C@@H](CO)[C@@H](O)C1 595189242 QOCYHIHTOAIPAT-QWRGUYRKSA-N 302.396 -0.777 30 20 DBED CC(C)(C)OC(=O)[C@@H]1CCCN1S(=O)(=O)NCC#CCO 601456854 ZZFMVXCFXWPFQI-NSHDSACASA-N 318.395 -0.377 30 20 DBED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC(=O)NC2=O)CC1 609494203 QUKWAUSMQJXHIL-LBPRGKRZSA-N 321.381 -0.379 30 20 DBED C=C(C)CN(CC)C(=O)C(=O)N[C@H]1CS(=O)(=O)C[C@H]1OC 612195372 CZOMMJAOLNPKHE-WDEREUQCSA-N 318.395 -0.661 30 20 DBED C=CCn1cc(C(=O)N2CCN(CC(=O)NCC)CC2)nn1 648726446 PMWZUPVPJOPGIE-UHFFFAOYSA-N 306.370 -0.642 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1CCc2nc(COC)nn2C1 758200929 HAIOBGZPECPRIX-STQMWFEESA-N 317.393 -0.047 30 20 DBED C=CCS(=O)(=O)CCNC(=O)c1ccccc1-n1cnnn1 783546326 KHLLVNCUMRAYDR-UHFFFAOYSA-N 321.362 -0.007 30 20 DBED C#CCOCCNC(=O)NC1CCN(S(C)(=O)=O)CC1 784178826 ZUWGJHQDOFBHOY-UHFFFAOYSA-N 303.384 -0.641 30 20 DBED C#CCOCCNC(=O)N1CCN(C(=O)C(=O)NC(C)C)CC1 784544737 JDIJFGFSOVTPOC-UHFFFAOYSA-N 324.381 -0.985 30 20 DBED C[C@@H](OC(=O)CSCC#N)C(=O)NCCN1CCOCC1 788112544 ACTWVLNIURZLEC-LLVKDONJSA-N 315.395 -0.377 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@H](COC)[C@@H]1CCCO1)[C@H]1CCCO1 809305266 ANXVRXCIGKOXPJ-DGAVXFQQSA-N 324.377 -0.406 30 20 DBED Cn1cc(-c2nn[nH]n2)cc1C(=O)Nc1nc(C#N)c(C#N)[nH]1 822655565 NFHZWUHCKULASQ-UHFFFAOYSA-N 308.265 -0.076 30 20 DBED C#CCC[C@H](O)CNC(=O)c1cc(S(N)(=O)=O)cnc1C 848035492 WCGPGVVZYOQAJU-JTQLQIEISA-N 311.363 -0.458 30 20 DBED C#CCNC(=O)CCN1C[C@@H](C(=O)OC)CC[C@@H]1C(=O)OC 859600212 CCVJCCPMCQPUDQ-NWDGAFQWSA-N 310.350 -0.448 30 20 DBED C#CCSCC(=O)O[C@H](C)C(=O)N[C@H]1CCS(=O)(=O)C1 885889498 FEVCNWSQEQFZJA-ZJUUUORDSA-N 319.404 -0.412 30 20 DBED C#CC1(O)CN(C(=O)NCc2cccc(S(C)(=O)=O)c2)C1 895165644 KVBSRHLIMRHAPR-UHFFFAOYSA-N 308.359 -0.020 30 20 DBED C=C(C)CN[C@@H]1CN(C(=O)Cn2nc(C)n(C)c2=O)C[C@H]1C 939642939 NPUULLUREWVMTR-DGCLKSJQSA-N 307.398 -0.097 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2CCN(CC(N)=O)C[C@@H]2C)cn1 944216289 YFJMLUJBCWRHJR-FZMZJTMJSA-N 300.362 -0.012 30 20 DBED CC#CCN1CC[C@H](NC(=O)CN2C(=O)CN(C)C2=O)[C@H](C)C1 944809638 FMYCOLLAENXHRR-OLZOCXBDSA-N 320.393 -0.270 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)[C@@H]1CCCN(CC(N)=O)CC1 948449343 QSROKACXRLXMAK-CABCVRRESA-N 320.437 -0.118 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1ncnn1 952543350 ZDHTYUMOTGAIMJ-UTUOFQBUSA-N 317.353 -0.575 30 20 DBED C[C@@H](C#N)C(=O)N1[C@H]2CCC[C@H]1CN(C(=O)Cn1cnnn1)C2 952655347 XFHFQNWFLHQUEU-SRVKXCTJSA-N 317.353 -0.575 30 20 DBED CN(C(=O)c1cc(C#N)c[nH]1)C1CCN(C(=O)C(N)=O)CC1 953847020 NDBXMOVMCDWVKU-UHFFFAOYSA-N 303.322 -0.565 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CN(C(=O)CC(N)=O)C1 954403045 HLGHLXFXABOOHU-NEPJUHHUSA-N 309.366 -0.488 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2cnc3c(c2)nnn3C)C1 958268357 UNUODPAAYPBILV-DGCLKSJQSA-N 314.349 -0.981 30 20 DBED C=C(C)CN1C[C@H](CNC(=O)c2ccn3nnnc3c2)[C@@H](O)C1 958318801 GYCFVEXTBMXYQB-STQMWFEESA-N 316.365 -0.277 30 20 DBED CN(C)c1ncccc1C(=O)NC[C@@H]1CN(CC#N)C[C@H]1O 958677597 RMRNTEWOAHGTTP-DGCLKSJQSA-N 303.366 -0.306 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)C#CC1CC1 960360558 FTXOHEONPYDHGU-KWCYVHTRSA-N 301.346 -0.002 30 20 DBED CC#CCN1C[C@H]2[C@H](NC(=O)[C@H]3CN(C(C)=O)CCO3)[C@H]2C1 962440180 ZJJKVNADHYMHBU-BARDWOONSA-N 305.378 -0.697 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1ncnn1 963116805 YOALSIRIVLPFHF-IJLUTSLNSA-N 317.353 -0.575 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)C(N)=O 963543162 VHIRSAJBVFVOFU-XQHKEYJVSA-N 321.377 -0.345 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(C[C@H](NC(=O)c3ccon3)CO2)C1 965636157 ACSSHEBPSDOBKW-UWVGGRQHSA-N 304.306 -0.066 30 20 DBED C[C@H](NC(=O)c1cc(C#N)c[nH]1)C1CN(Cc2nnnn2C)C1 969463170 KPXOBJKKVHBFNX-VIFPVBQESA-N 314.353 -0.340 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2COC(=O)N2)C1 974086215 NPARQSROLGRTJA-LVEVGFFFSA-N 323.349 -0.551 30 20 DBED C=C(C)CN1C[C@@H](NC(=O)Cn2ncn(C)c2=O)C(C)(C)C1 974753695 FWXKZLUTZYSQKV-GFCCVEGCSA-N 307.398 -0.016 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](CN(C)C(=O)c2cnn(C)n2)C1 988284290 JNMYVRPQDLHACB-QWRGUYRKSA-N 304.354 -0.105 30 20 DBED C[C@H]1C[C@H](NCC#N)CN1C(=O)c1ccc(-n2cnnn2)cn1 989225337 MVNROUGQFHXNNS-QWRGUYRKSA-N 312.337 -0.227 30 20 DBED C#Cc1ccc(C(=O)N2CC(NC(=O)[C@@H]3CCNC3=O)C2)cc1 997428829 APYRLBMCSFNJIH-CQSZACIVSA-N 311.341 -0.255 30 20 DBED C=CCN[C@H]1CCCN(C(=O)CCc2nnc(O)nc2O)C1 999585090 HLZUJIDFUNOCEF-JTQLQIEISA-N 307.354 -0.018 30 20 DBED N#CCN1CC[C@H](n2cc(CNC(=O)c3ncccn3)nn2)C1 1000029991 PNVOJWNDCDNDHC-LBPRGKRZSA-N 312.337 -0.232 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCC1CN(C(=O)c2cnn[nH]2)C1 1002836795 VIGXTPRNCZGMSJ-ZDUSSCGKSA-N 316.365 -0.910 30 20 DBED CN(C(=O)c1cc(C#N)c[nH]1)C1CCC(NC(=O)C(N)=O)CC1 1004061072 SAKMMEQERBMONE-UHFFFAOYSA-N 317.349 -0.129 30 20 DBED C=CCN1CC[C@@H](N2CC[C@H](NC(=O)c3cnnn3C)C2)C1=O 1010831063 QUAPLDPZWHRAAO-NWDGAFQWSA-N 318.381 -0.594 30 20 DBED N#Cc1cc(C(=O)N[C@@]23CCC[C@@H]2N(C(=O)C(N)=O)CC3)c[nH]1 1014252899 ZDTPMRLAYPQTAV-XHDPSFHLSA-N 315.333 -0.375 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(C1)CN(C(=O)[C@H]1CCC(=O)N1)C2 1018874773 JDSPCBQSZRKPJT-WDEREUQCSA-N 304.350 -0.514 30 20 DBED N#Cc1ccc(CN[C@H]2C[C@@H](NC(=O)[C@H]3CNC(=O)N3)C2)cc1 1022631403 ZXKOUIAVHGGOFN-HZSPNIEDSA-N 313.361 -0.024 30 20 DBED CO[C@@H](C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 1023455087 IVJDIUBSVLXCRY-XXILOJSOSA-N 306.322 -0.777 30 20 DBED O=C(N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O)c1cncnc1 1023480800 GXXUUTVYCCIJML-CHWSQXEVSA-N 300.318 -0.809 30 20 DBED COCc1cc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2O)no1 1023757782 BRFRLJAUJIJWIO-GGZOMVNGSA-N 322.321 -0.718 30 20 DBED CC#CCN1CCCC[C@H]1CNC(=O)c1cn(CC(N)=O)nn1 1024813762 GKPLVTMWKLBRIZ-LBPRGKRZSA-N 318.381 -0.629 30 20 DBED CN1C(=O)C[C@H](C(=O)NC2CN(CC#N)C2)[C@H]1c1cccnc1 1031083756 RADTUVAWBYRRNO-DZGCQCFKSA-N 313.361 -0.075 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CN(CCN2CCNC2=O)C1 1031088330 SLHSRACWDHQMNC-KBPBESRZSA-N 322.409 -0.207 30 20 DBED C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)CCn1cnccc1=O 1032705330 OGXRERIOKKOKGT-KBPBESRZSA-N 300.362 -0.058 30 20 DBED C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)CN1C(=O)CN(C)C1=O 1032771147 OCXCFBGYAHSXCW-RYUDHWBXSA-N 304.350 -0.811 30 20 DBED CN1CCN(CC(=O)N2CCC3(CC2)CN(CC#N)C3)CC1=O 1035741119 LIJSGJFPAMMVJV-UHFFFAOYSA-N 319.409 -0.792 30 20 DBED Cn1cnn(CCC(=O)N2CC[C@H]3[C@@H](CCN3CC#N)C2)c1=O 1036777634 FZYNSHWIDBRZQG-STQMWFEESA-N 318.381 -0.582 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2CCN2Cc2ncnn2C)nn1 1038789025 DOACBWFEVNTZSJ-NSHDSACASA-N 316.369 -0.403 30 20 DBED CC(C)C#CC(=O)N1CC[C@@](O)(CNC(=O)c2cnnn2C)C1 1039609204 HBMZQZXUGRZBGP-OAHLLOKOSA-N 319.365 -0.832 30 20 DBED CC(C)C#CC(=O)NC[C@]1(O)CCN(C(=O)c2cnon2)C1 1039665233 HQTZFYKQMJCBCC-CQSZACIVSA-N 306.322 -0.578 30 20 DBED O=C(C#CC1CC1)NC[C@]1(O)CCN(C(=O)[C@@]23COC[C@@H]2C3)C1 1039688121 AIZCLRVHZXKTMD-XKQJLSEDSA-N 318.373 -0.484 30 20 DBED C#CCCCC(=O)N1CC[C@@](O)(CNC(=O)CCOCC#C)C1 1039718563 CKGIAONMDOWQFN-QGZVFWFLSA-N 320.389 -0.091 30 20 DBED C=CCCCC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2CCNC2=O)C1 1040486711 VYPLXKXTIBWOBL-WBMJQRKESA-N 323.393 -0.442 30 20 DBED N#Cc1cnccc1N1C[C@@H](O)[C@H](NC(=O)C2=COCCO2)C1 1040912782 WUEVKEZZMVUWSC-DGCLKSJQSA-N 316.317 -0.493 30 20 DBED Cc1cc(C(=O)N[C@@H]2CN(c3ccc(C#N)cn3)C[C@H]2O)n[nH]1 1040949911 ZNNUMQYLSXSBKM-CHWSQXEVSA-N 312.333 -0.036 30 20 DBED N#Cc1cccnc1N1C[C@@H](O)[C@H](NC(=O)c2cccnn2)C1 1041139417 PQCLXCLWIZSIGP-CHWSQXEVSA-N 310.317 -0.277 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)C[C@H]2CCCO2)C1 1041648928 SDSJNVNMQSYEAE-CYBMUJFWSA-N 308.378 -0.096 30 20 DBED C=CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)C2=COCCC2)C1 1041984812 PFIBLTITRVRJGG-GFCCVEGCSA-N 324.377 -0.039 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)CCCOCC)C1 1042040809 YXBZMFTUUSVOPU-UHFFFAOYSA-N 314.382 -0.305 30 20 DBED CC#CCN1CC[C@@H]2CCN(C(=O)CN3CCNC(=O)C3)C[C@@H]21 1042183815 NBWMBENHYCKEJC-CABCVRRESA-N 318.421 -0.636 30 20 DBED CN1C(=O)CN(CC(=O)N2CC[C@@H]3CCN(CC#N)[C@@H]3C2)C1=O 1042314285 ZMAXCPPFTOKZLD-NWDGAFQWSA-N 319.365 -0.673 30 20 DBED N#CCN1CC[C@H]2CCN(C(=O)Cn3c(O)nnc3O)C[C@H]21 1042327062 UOGBOBAFAJIWEH-VHSXEESVSA-N 306.326 -0.864 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(O)CN(C(=O)[C@H](C)SC)C1 1042806498 HFIDGPPANOAVLN-GWCFXTLKSA-N 316.423 -0.246 30 20 DBED CCO[C@@H]1C[C@H]1C(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042959030 UBDBGKARBSCBTC-CHWSQXEVSA-N 306.362 -0.486 30 20 DBED C#Cc1cncc(C(=O)N2CC(O)(CNC(=O)C#CC3CC3)C2)c1 1042960039 BTIWZPJOPWJUNY-UHFFFAOYSA-N 323.352 -0.221 30 20 DBED CCn1ccc(C(=O)N2CC(O)(CNC(=O)C#CC3CC3)C2)n1 1042963691 RXHLQPDJTZSVIJ-UHFFFAOYSA-N 316.361 -0.381 30 20 DBED CCn1cccc1C(=O)NCC1(O)CN(C(=O)[C@@H](C)C#N)C1 1043136096 FPOYKPANHKMOAE-NSHDSACASA-N 304.350 -0.029 30 20 DBED N#Cc1cnc(N2C[C@H](O)[C@H](NC(=O)c3cnccn3)C2)cn1 1043835609 XNPIWUZNUDIHPT-NEPJUHHUSA-N 311.305 -0.882 30 20 DBED N#Cc1cncc(N2C[C@H](O)[C@H](NC(=O)c3ccns3)C2)n1 1044230213 DTILKDZLWWLMII-ZJUUUORDSA-N 316.346 -0.216 30 20 DBED COc1ccc(C(=O)NCC2(O)CN(C(=O)[C@@H](C)C#N)C2)o1 1045247552 KDJOPWJRNHTNGV-VIFPVBQESA-N 307.306 -0.249 30 20 DBED CCn1nc(C)cc1C(=O)N1CC(O)(CNC(=O)[C@@H](C)C#N)C1 1045555283 PLQQMDHEUZKPJW-JTQLQIEISA-N 319.365 -0.326 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)COCCCOC)C1 1046597933 UWSVZZKBAHSOTJ-UHFFFAOYSA-N 314.382 -0.305 30 20 DBED CC#CCN1C[C@H]2C[C@@H](NC(=O)Cn3ncn(C)c3=O)C[C@H]1C2 1047096898 HHHCTAJRBUXRKA-BFHYXJOUSA-N 317.393 -0.426 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)COCC2CC2)C[C@@H]1O 1049389507 YIOOARHYAZOBNS-DRZSPHRISA-N 309.366 -0.397 30 20 DBED C[C@@H](NC(=O)Cn1ncnn1)[C@@H]1CCN(C(=O)C#CC2CC2)C1 1050671880 FTPQQTCOYHRICH-DGCLKSJQSA-N 316.365 -0.560 30 20 DBED N#CCN1CCC2(CC1)CN(C(=O)[C@@H]1CC(=O)NC(=O)N1)C2 1050683081 XFVLPRHKOXYVAO-JTQLQIEISA-N 305.338 -0.968 30 20 DBED CC(C)C#CC(=O)N[C@H](C)[C@@H]1CCN(C(=O)c2nnn(C)n2)C1 1051341259 GMKDVGKVZCKBCJ-VXGBXAGGSA-N 318.381 -0.164 30 20 DBED C#CCN1CCN([C@H]2CCN(C(=O)CO[C@@H]3CCOC3)C2)CC1 1052025553 GWFAHBDNFAPNFF-JKSUJKDBSA-N 321.421 -0.356 30 20 DBED C#CCN1CC2(CC[C@H](CNC(=O)c3cncnc3O)O2)C1 1053615223 FVGFINNPNOIOGW-LLVKDONJSA-N 302.334 -0.221 30 20 DBED CC#CCN1CC2(CC[C@@H](CNC(=O)[C@H]3CCN(C)C3=O)O2)C1 1053642828 LTWYIMZJYWOFJE-UONOGXRCSA-N 319.405 -0.162 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)[C@@H]3CCN(C)C3=O)CO2)C1 1053893134 KWVQRSBQYUKDJR-OLZOCXBDSA-N 305.378 -0.553 30 20 DBED C#CCN1CC[C@@]2(CCCN(C(=O)C[C@@H]3CC(=O)NC3=O)C2)C1 1054250561 WPBOWAUFDIAUSD-GUYCJALGSA-N 317.389 -0.013 30 20 DBED C#CCCCC(=O)N[C@@]1(CO)CCCN(C(=O)CNC(C)=O)C1 1055909658 WJGCIPLFBNHYRS-INIZCTEOSA-N 323.393 -0.604 30 20 DBED N#Cc1nccc(N2CCN(C(=O)[C@H]3CCCNC3=O)CC2)n1 1055928461 VJFDEFQZGNGZLG-NSHDSACASA-N 314.349 -0.477 30 20 DBED C[C@]1(C(=O)N2CCN(c3ccc(C#N)nn3)CC2)CCNC1=O 1056018505 AXRHQPVPKRBCDJ-HNNXBMFYSA-N 314.349 -0.477 30 20 DBED N#Cc1ccc(N2C[C@@H]3C(NC(=O)c4cc[n+]([O-])cc4)[C@H]3C2)nn1 1056100276 MQOJKQIRMOUKAZ-STQMWFEESA-N 322.328 -0.154 30 20 DBED C#CCOCCC(=O)NCCN(CCO)C(=O)C(C)(C)F 1056780089 MDCAUIOYSSROST-UHFFFAOYSA-N 302.346 -0.289 30 20 DBED C#CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)C#CC(C)C 1057524855 UFHFSSHQJPNOOU-AWEZNQCLSA-N 308.378 -0.379 30 20 DBED Cc1cnn(C)c1C(=O)N(CCO)CCNC(=O)[C@H](C)C#N 1058427410 NQBFOFBTMNNOMI-SNVBAGLBSA-N 307.354 -0.561 30 20 DBED C=C(C)C[C@H](C)C(=O)N(CCO)CCNC(=O)c1cn(C)nn1 1058463641 DNLOKDPVYHDXJX-LBPRGKRZSA-N 323.397 -0.032 30 20 DBED C=C1CC(C)(C(=O)N(CCO)CCNC(=O)CC(=O)NC)C1 1058770084 TWWZYZUIOJTQBA-UHFFFAOYSA-N 311.382 -0.584 30 20 DBED C=CCCC(=O)NC[C@@H]1COCCN1C(=O)[C@H](COC)OC 1061410884 VCAKNVRVVAMXEG-OLZOCXBDSA-N 314.382 -0.042 30 20 DBED C#CCOCCC(=O)NC[C@H]1COCCN1C(=O)c1cc[nH]n1 1061580826 GPTBLAXRYDGFJX-LBPRGKRZSA-N 320.349 -0.593 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H]1COCCN1C(=O)c1ccon1 1061584569 JQEMACZNWZERIN-VXGBXAGGSA-N 321.333 -0.330 30 20 DBED N#Cc1cnc(N2CC[C@@H](CNC(=O)[C@H]3CCNC3=O)C2)cn1 1061695659 UMQZZJXLMBRDHB-JQWIXIFHSA-N 314.349 -0.573 30 20 DBED C=CCOCC(=O)N1CCOC[C@H]1CNC(=O)c1cnco1 1061731264 ZSEMGYJINFTWFV-LLVKDONJSA-N 309.322 -0.166 30 20 DBED CC(C)C#CC(=O)N1CCOC[C@H]1CNC(=O)[C@H](C)CC(N)=O 1061748830 CAFLZRNTIOZNIX-CHWSQXEVSA-N 323.393 -0.499 30 20 DBED C=CC(C)(C)C(=O)NC[C@@H]1COCCN1C(=O)Cc1nc[nH]n1 1061755349 HIZXMKHYIBQCDH-LLVKDONJSA-N 321.381 -0.097 30 20 DBED CCN(C)CCC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H](C)C#N 1061848956 XKIUKHOQLYLLNL-STQMWFEESA-N 310.398 -0.169 30 20 DBED O=C(Cn1ncnn1)NC[C@H]1CCCCN1C(=O)C#CC1CC1 1062202281 ZBCDDUZVCPEPCH-CYBMUJFWSA-N 316.365 -0.416 30 20 DBED N#Cc1nccnc1N1[C@H]2CC[C@H]1CN(C(=O)CC(N)=O)CC2 1065140658 XCPSGTMARRVNDF-QWRGUYRKSA-N 314.349 -0.207 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@H](CNC(=O)CN2CCCC2=O)C1 1065557702 ULYRQBGDZQHLJX-VXGBXAGGSA-N 322.365 -0.888 30 20 DBED C=C[C@@](C)(CC)C(=O)N1CCO[C@H](CNC(=O)CC(N)=O)C1 1065578820 TYHQTRDVEUKGPK-ABAIWWIYSA-N 311.382 -0.192 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CN(C(=O)Cc2cnc[nH]2)CCO1 1065669986 AQJKUGYFYKLKSJ-CMPLNLGQSA-N 305.338 -0.545 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H](NC(=O)CCNC(N)=O)CC1 1066161747 NUZHOGDINDJYQN-QWRGUYRKSA-N 309.370 -0.298 30 20 DBED C[C@H](C#N)C(=O)N1CC2(C[C@@H](NC(=O)CCCC(N)=O)CO2)C1 1068915366 JCZDSBMSOAYXRA-GHMZBOCLSA-N 322.365 -0.712 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1COC2(C1)CN(C(=O)c1cnco1)C2 1069002889 IPARUMYYLVCFAX-NXEZZACHSA-N 304.306 -0.066 30 20 DBED C[C@@H]1C[C@@H](Nc2nccnc2C#N)CN1C(=O)CS(C)(=O)=O 1069040411 ILODZFXKBDXCCM-NXEZZACHSA-N 323.378 -0.206 30 20 DBED N#CCN1CCn2ncc(CNC(=O)c3cncnc3O)c2C1 1069864419 OPJUUNAJOSSTGP-UHFFFAOYSA-N 313.321 -0.352 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)Cc2cnc(C)o2)C1 1069945607 RINYRXUFALHLOX-KGLIPLIRSA-N 314.349 -0.208 30 20 DBED N#CCN[C@@H]1CN(C(=O)C[C@@H]2COC(=O)C2)C[C@@H]1n1ccnn1 1070176814 SKOUKYYFRGJGCL-TUAOUCFPSA-N 318.337 -0.904 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CCCN(C(=O)CS(C)(=O)=O)C1 1070495557 MHEZHRYPMIXJHC-NXEZZACHSA-N 301.368 -0.702 30 20 DBED Cn1cnc(C(=O)N2C[C@@H](NCC#N)[C@H](c3cncn3C)C2)c1 1070639193 ZCXXIRWHRPBRKL-VXGBXAGGSA-N 313.365 -0.125 30 20 DBED C#CCOCCC(=O)N1CCC[C@@H](NC(=O)c2cnnn2C)C1 1070728356 OZZGZUDOOOFJAT-GFCCVEGCSA-N 319.365 -0.424 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)C2=COCCO2)CC1 1070936201 GSWXGYADPAUMKY-UHFFFAOYSA-N 309.366 -0.289 30 20 DBED C[C@@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1NC(=O)C#CC1CC1 1071555483 BUEHSIBNBJJTJS-PWSUYJOCSA-N 302.338 -0.950 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)CC(=O)N(C)C)C[C@H]1C 1072124418 AFNLZIRLOQXVKW-VXGBXAGGSA-N 311.382 -0.370 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCN(CCN3CCNC3=O)C2)C1 1072551762 JENGAEXALCHQBU-LBPRGKRZSA-N 305.382 -0.294 30 20 DBED C[C@@H](C#N)C(=O)NC1(C)CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1 1073261244 IHWPYXDMEZMMNY-AXFHLTTASA-N 306.366 -0.235 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)c2cc(OC)n(C)n2)C1 1073689863 FEHAMYULMKVXFN-LBPRGKRZSA-N 306.366 -0.117 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CCN(C(=O)c2nnn(C)n2)[C@H](C)C1 1074974979 LKHRVIARSCCNLT-VXGBXAGGSA-N 318.381 -0.021 30 20 DBED CNC(=O)NCC(=O)N[C@@H]1CCN(C(=O)C#CC2CC2)[C@H](C)C1 1075026667 HMBQVFHHVNSPLP-DGCLKSJQSA-N 320.393 -0.176 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)[C@H](CC)OC 1076218891 KJROESXDSMVOAC-RYUDHWBXSA-N 311.382 -0.438 30 20 DBED C#CCO[C@H](C)C(=O)NCC[C@H](C)NC(=O)c1[nH]nnc1C 1076511851 HRMAINARCHJIBW-GXSJLCMTSA-N 307.354 -0.224 30 20 DBED C[C@@H](CCNC(=O)Cn1nccn1)NC(=O)c1c[nH]c(C#N)c1 1076694494 QNLXDOZAEFHQRY-JTQLQIEISA-N 315.337 -0.197 30 20 DBED C=CCO[C@H](C)C(=O)NCC[C@H](C)NC(=O)C1(C(N)=O)CC1 1077068367 ZVYXVMHFRUZXMM-WDEREUQCSA-N 311.382 -0.146 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2ccc(S(C)(=O)=O)o2)C1 1077767601 JWTNQDLTZQIQJC-NXEZZACHSA-N 312.347 -0.909 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)[C@@]2(C)CCCS2(=O)=O)C1 1077824166 PBZHARGQYFKBII-YRGRVCCFSA-N 316.423 -0.309 30 20 DBED CCN(C(=O)c1nc[nH]n1)C1CN(C(=O)CSCC#N)C1 1080250327 FNTKOZXKIHRUAL-UHFFFAOYSA-N 308.367 -0.266 30 20 DBED N#CCSCC(=O)N1C[C@H](CNC(=O)c2ccc[nH]2)[C@@H](O)C1 1081249359 XSUJNKCUQGKKSS-JQWIXIFHSA-N 322.390 -0.179 30 20 DBED N#CCSCC(=O)NC[C@@H]1CN(C(=O)c2cc[nH]c2)C[C@H]1O 1081288699 FSHGMZNDWDJQDY-VXGBXAGGSA-N 322.390 -0.179 30 20 DBED COCCCC(=O)NC[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1081303580 XZOJUEFKWSQKCP-UONOGXRCSA-N 308.378 -0.238 30 20 DBED C=CCOCC(=O)N1C[C@H](CNC(=O)c2cc(C)[nH]n2)[C@@H](O)C1 1081307304 IHDGJBRIMNDFAU-AAEUAGOBSA-N 322.365 -0.530 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)c2cn(C)cn2)C[C@@H]1O 1081336534 ZSYOTJDLEBMFPN-YPMHNXCESA-N 306.366 -0.065 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1O 1081439688 SRPCFIXVDBAJCK-GHMZBOCLSA-N 305.338 -0.843 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)CCCC(N)=O)C[C@@H]1O 1081464221 XEDQLKNATIQPNC-STQMWFEESA-N 323.393 -0.763 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(C(=O)CN2CCCC2)C[C@@H]1O 1081474550 RQZRWDONTFFRHA-CABCVRRESA-N 319.405 -0.569 30 20 DBED C=CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)Cn1nnnc1C(C)C 1083218345 ORTNFYSXYFOUGX-QWHCGFSZSA-N 320.397 -0.106 30 20 DBED Cn1cc2c(n1)CCC[C@H]2C(=O)N[C@@H]1CN(CC#N)C[C@@H]1O 1083729728 CIKZGQYGFIHTLA-HONMWMINSA-N 303.366 -0.475 30 20 DBED COCCn1cc(C(=O)N2C[C@H]3CCN(CC#N)C[C@H]32)nn1 1084336032 CUHLWTQEPOCYKO-DGCLKSJQSA-N 304.354 -0.406 30 20 DBED C#Cc1cncc(C(=O)N(C)C[C@@H]2CCN2CC(=O)NC)c1 1085809382 CEXFVTDTTRSBET-AWEZNQCLSA-N 300.362 -0.045 30 20 DBED N#CCN[C@H]1C[C@@H](CNC(=O)[C@H]2CN3CC4CC3(CO2)C4)C1 1086152915 PIUHVLSLSBZANA-BCWAKEQVSA-N 304.394 -0.142 30 20 DBED CC(=O)N1CCO[C@H](C(=O)NC[C@H]2CC[C@@H](NCC#N)C2)C1 1086867181 WIIKMGFPEIYQLS-MJBXVCDLSA-N 308.382 -0.368 30 20 DBED C=CCN1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)[C@H]1CC 1087840321 RLFCSTZGKCTJHF-CMPLNLGQSA-N 306.370 -0.468 30 20 DBED C=C(Cl)CN1CC[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)[C@H]1C 1088630485 JHUYVGJGKDSLSG-UTLUCORTSA-N 314.773 -0.084 30 20 DBED C=C(Cl)CN1CC[C@@H](NC(=O)c2c[nH]c(=O)cn2)[C@@H](O)C1 1090527560 ZKDBCCNRARKZKF-KOLCDFICSA-N 312.757 -0.313 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2ccc(C(N)=O)[nH]2)[C@@H](O)C1 1090572381 FVZLBAMDYJFKTK-MFKMUULPSA-N 304.350 -0.698 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCN(CC#CC)C[C@@H]2O)nn1 1090632062 BUAUKIRIHPWQRA-OCCSQVGLSA-N 303.366 -0.348 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)Cn2nnnc2C(C)C)[C@H](O)C1 1090632323 FHFUCHCARRWGGW-QWHCGFSZSA-N 322.413 -0.076 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2cccn(C)c2=O)[C@@H](O)C1 1090738052 VWLLLXIWENAMGR-KBPBESRZSA-N 303.362 -0.426 30 20 DBED C=CCCN1CC[C@@H](NC(=O)c2ccc(=O)n(C)n2)[C@@H](O)C1 1090789815 IXIKAKWOCUGERA-YPMHNXCESA-N 306.366 -0.479 30 20 DBED CC(=O)N[C@H](C)C(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@@H]1O 1091064267 FQORTJKNSGUSGP-IUPBHXKESA-N 317.349 -0.856 30 20 DBED CCC(=O)NCC(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@@H]1O 1091080716 JZEPZMFXZBTUFJ-NEPJUHHUSA-N 317.349 -0.855 30 20 DBED N#Cc1ccc([N+](=O)[O-])c(NCCNC(=O)Cn2ncnn2)c1 1093890024 SIUKYTSTSKCMCI-UHFFFAOYSA-N 316.281 -0.319 30 20 DBED Cc1cnc2nc(C(=O)NCCNc3ccc(C#N)nn3)nn2c1 1093942448 YCUMLFGPNAMWGZ-UHFFFAOYSA-N 323.320 -0.064 30 20 DBED Cc1cc(C(=O)NCc2cn(C3CN(CC#N)C3)nn2)cnn1 1094286692 MBISOKQXZLPMOP-UHFFFAOYSA-N 312.337 -0.313 30 20 DBED C#CCCN1CC(N2C[C@H](NC(=O)[C@@H]3CCOC3)CC2=O)C1 1094708750 FSCWSDZFGDISLA-CHWSQXEVSA-N 305.378 -0.553 30 20 DBED C=CCCN1CC(N2C[C@H](NC(=O)c3ncn(C)n3)CC2=O)C1 1094735525 QPUYEHRIQXAHSF-LLVKDONJSA-N 318.381 -0.594 30 20 DBED CC#CCN1CC(N2C[C@@H](NC(=O)C3CC(OC)C3)CC2=O)C1 1094747381 QXGGBNKOHGPGJE-OWYJLGKBSA-N 319.405 -0.164 30 20 DBED COCC(=O)N[C@@H](C)C(=O)NCCCN=c1cc[nH]cc1C#N 1094844904 ZOQBQFWZPYWNRZ-NSHDSACASA-N 319.365 -0.556 30 20 DBED N#Cc1cnc(N2CCC(NC(=O)CNC(N)=O)CC2)c(F)c1 1095389029 YXVJNXYNCXECCL-UHFFFAOYSA-N 320.328 -0.154 30 20 DBED N#Cc1nccnc1NC[C@H]1CCCCN1C(=O)CNC(N)=O 1097473350 MOTCNVFMKFTTRQ-SNVBAGLBSA-N 317.353 -0.190 30 20 DBED CNC(=O)NCCC(=O)NC[C@H](C)Nc1cnc(C#N)cn1 1097805165 BKJKOMMMUKDBDL-VIFPVBQESA-N 305.342 -0.416 30 20 DBED C[C@@H](CNC(=O)[C@H]1C[C@H]1C(=O)N(C)C)Nc1cncc(C#N)n1 1098269614 OAYUHHGSQUMRRC-ZMLRMANQSA-N 316.365 -0.011 30 20 DBED C#CCCCCC(=O)N[C@@H]1CCN(Cc2nnn(C)n2)C[C@H]1O 1099787119 UDHZRWXXHOWGIE-CHWSQXEVSA-N 320.397 -0.545 30 20 DBED C=CCCN1CC[C@H](NC(=O)CNS(=O)(=O)CC)[C@H](O)C1 1099860617 FKJNIKPHXHIJPD-NWDGAFQWSA-N 319.427 -0.947 30 20 DBED CC(C)=C(C)CC(=O)N[C@@H]1CCN(CC(=O)NCC#N)C[C@H]1O 1099949103 MATJTXLPEFPCHD-ZIAGYGMSSA-N 322.409 -0.076 30 20 DBED C=CCOCC(=O)NCCN(C)c1nc(O)c2cnn(C)c2n1 1099959690 YTOSLTMXTFSMAU-UHFFFAOYSA-N 320.353 -0.176 30 20 DBED C=CCN1CC[C@H](NC(=O)CNC(=O)c2cscn2)[C@H](O)C1 1100064753 QVMIPSWPJMECTR-CMPLNLGQSA-N 324.406 -0.390 30 20 DBED CO[C@H](C(=O)NCCN(C)c1cncc(C#N)n1)[C@H]1CCOC1 1100250523 GPZXHFADZSSNQT-FZMZJTMJSA-N 319.365 -0.048 30 20 DBED C#CCOCCC(=O)NCC1CC(N[C@@H](C)c2nnnn2C)C1 1100325948 DFKFTAFEFQVIBR-HIFPTAJRSA-N 320.397 -0.205 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)c2ccns2)C1 1100374205 WTDQUPLTBVKOMI-UHFFFAOYSA-N 306.391 -0.010 30 20 DBED CN(CCNC(=O)c1ccc(C(N)=O)o1)c1cnc(C#N)cn1 1100412227 QRRWJMYLDXXDNY-UHFFFAOYSA-N 314.305 -0.094 30 20 DBED N#CCNC(=O)CNC1CC(CNC(=O)c2cc(F)c[nH]2)C1 1100514727 JOIRFNRUGDASGT-UHFFFAOYSA-N 307.329 -0.108 30 20 DBED CN(C)CCCCC(=O)NCC1CC(NCC(=O)NCC#N)C1 1100890148 NUOGJSOOACETOX-UHFFFAOYSA-N 323.441 -0.158 30 20 DBED C=CCOCCN1C[C@@H]2CN(C(=O)CNC(N)=O)C[C@]2(C)C1 1101123080 LNZGBYDBBYJNOC-DOMZBBRYSA-N 310.398 -0.362 30 20 DBED C#CCCN1C[C@@H]2CN(C(=O)CC(=O)NCC#C)C[C@]2(C)C1 1101207916 YRJCYWQGDNAASF-PBHICJAKSA-N 301.390 -0.071 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1CNC(=O)c1ccon1 1101767943 QAHWHLVQISRBNN-GHMZBOCLSA-N 305.338 -0.388 30 20 DBED Cc1cc(=NCCN(C)C(=O)[C@H]2CN(C)C(=O)N2)c(C#N)c[nH]1 1101903066 OKWNHWHCZZZUKJ-CYBMUJFWSA-N 316.365 -0.423 30 20 DBED C[C@@H]1OCCO[C@@H]1C(=O)N(C)CCN=c1cc[nH]c(C#N)n1 1102029337 XIENZUJOVDOITG-GWCFXTLKSA-N 305.338 -0.556 30 20 DBED CC[C@H](CNC(=O)CCNC(=O)NC)Nc1cnc(C#N)cn1 1103064999 WUNNIVAXQAFFHY-SNVBAGLBSA-N 319.369 -0.026 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H](C)CNc1ccc(C#N)nn1 1103955800 ALWBZVLOAMBLCI-NSHDSACASA-N 314.349 -0.348 30 20 DBED C[C@H](CNC(=O)Cn1cnnc1O)CNc1ccc(C#N)nn1 1103958498 RDHNWLDTIHIBLL-VIFPVBQESA-N 316.325 -0.490 30 20 DBED CNC(=O)NCCC(=O)N(C)[C@H](C)CN=c1cc[nH]cc1C#N 1104547441 WUSCPEAPPQTAGF-LLVKDONJSA-N 318.381 -0.047 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(n2cc(CNCC#N)nn2)C1 1105227623 QWQRYZWVJBAEIJ-AWEZNQCLSA-N 304.354 -0.398 30 20 DBED C=CCNCc1cn(C2CN(C(=O)c3[nH]c(O)nc3C)C2)nn1 1105264939 VBNDBDRHTPJVLN-UHFFFAOYSA-N 317.353 -0.012 30 20 DBED N#Cc1cncc(NC[C@H](O)CNC(=O)C2=COCCO2)n1 1105714815 IIAVSSXRGKBUQR-JTQLQIEISA-N 305.294 -0.875 30 20 DBED N#Cc1nc(=NC[C@@H](O)CNC(=O)[C@@H]2[C@H]3CCC[C@H]32)cc[nH]1 1105807830 GOEWFGBTXMBEBR-PUHVVEEASA-N 301.350 -0.295 30 20 DBED COc1nc(C(=O)NC[C@H](O)CNc2nccnc2C#N)co1 1106049251 FCDIVHNMQLTGSS-MRVPVSSYSA-N 318.293 -0.452 30 20 DBED N#Cc1cnc(NC[C@H](O)CNC(=O)[C@@H]2[C@H]3COC[C@H]32)c(F)c1 1106062647 KRXUUYDUXSWJFJ-MEWQQHAOSA-N 320.324 -0.126 30 20 DBED C[C@H]1CCCN1CC(=O)NC[C@H](O)CNc1cncc(C#N)n1 1106108820 PYHDTABQKPVRBR-WCQYABFASA-N 318.381 -0.278 30 20 DBED C#CCOCCC(=O)N1C[C@@H](C)[C@H](CN[C@@H](CC)C(N)=O)C1 1106117448 QBTKFLMVOOJIGX-MCIONIFRSA-N 309.410 -0.026 30 20 DBED C#CCN1CC(n2cc(CNC(=O)CSCC#N)nn2)C1 1107129876 UEGICSYFHJGDLM-UHFFFAOYSA-N 304.379 -0.359 30 20 DBED C[C@H](NC(N)=O)C(=O)NC/C=C\CN=c1cc[nH]cc1C#N 1107168874 OKQQKWQTILMSNI-ZMWSMAPVSA-N 302.338 -0.484 30 20 DBED C[C@@H](CNc1nccnc1C#N)NC(=O)c1cn(C)c(=O)n1C 1108411877 JNZLWMBVCRWJEC-VIFPVBQESA-N 315.337 -0.384 30 20 DBED Cc1nsc(NC[C@H](C)NC(=O)[C@@H]2CNC(=O)N2)c1C#N 1108669061 LIFBUINEORWTOE-RCOVLWMOSA-N 308.367 -0.079 30 20 DBED C[C@@H](CN=c1cc[nH]cc1C#N)NC(=O)[C@H]1CCC(=O)NC1 1108776916 SURDOVXNBWZBNG-QWRGUYRKSA-N 301.350 -0.182 30 20 DBED CN(CCCNc1cncc(C#N)n1)C(=O)[C@H]1CCNC1=O 1109578962 WVKCZUMAXSYQNM-NSHDSACASA-N 302.338 -0.255 30 20 DBED CC1(NC(=O)CNC(N)=O)CCN(c2nccnc2C#N)CC1 1110570953 IUQUFGXEBIBEOA-UHFFFAOYSA-N 317.353 -0.508 30 20 DBED CC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCNS(C)(=O)=O 1110619491 WXEIBMHSZOYVES-UPJWGTAASA-N 313.423 -0.330 30 20 DBED CCC(=O)NCC(=O)N[C@@]1(C)CCN(c2ccnc(C#N)n2)C1 1110733062 CWTNAIFKIQARLG-HNNXBMFYSA-N 316.365 -0.041 30 20 DBED C=C[C@](C)(O)CC(=O)N(C)[C@H]1CN(c2nccnc2F)C[C@@H]1O 1111180256 RAYVJMDMXQECHI-PGUXBMHVSA-N 324.356 -0.049 30 20 DBED Cc1nc(NCCN(CCO)C(=O)CC(N)=O)ccc1C#N 1111440801 FYAVBAACTOJEJV-UHFFFAOYSA-N 305.338 -0.630 30 20 DBED CNC(=O)CC(=O)N(CCO)CCNc1ncc(C#N)cc1F 1111458250 OLVYVIMERXEPHQ-UHFFFAOYSA-N 323.328 -0.539 30 20 DBED N#Cc1c(Cl)nsc1NCCN(CCO)C(=O)C(N)=O 1111557329 QJCUHAZMKYWPMN-UHFFFAOYSA-N 317.758 -0.614 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCN(CC(=O)NCC=C)CC1 1112976956 DXMRYKWFAXAOAU-HNNXBMFYSA-N 318.421 -0.470 30 20 DBED CC#CCN1CCN(C(=O)CN(C)S(=O)(=O)CC)CC1 1113483062 QVFYYPLKVLTULS-UHFFFAOYSA-N 301.412 -0.565 30 20 DBED CC(=O)N1CC(C(=O)NC[C@H](C)N(C)c2ccc(C#N)nn2)C1 1113579276 JSASWGAHGXSKDS-JTQLQIEISA-N 316.365 -0.233 30 20 DBED Cc1nc(CC(=O)NC[C@H](C)N(C)c2cncc(C#N)n2)n[nH]1 1113586152 USRANBCZBPZGGN-VIFPVBQESA-N 314.353 -0.042 30 20 DBED C=C(Cl)CN1C[C@@H]2C(NC(=O)CCS(=O)(=O)NC)[C@H]2C1 1114270613 IOZGQLIVMZYKGQ-UWVGGRQHSA-N 321.830 -0.275 30 20 DBED C=CCOCCN1C[C@H]2C(NC(=O)C[C@H](C)NC(N)=O)[C@@H]2C1 1114277688 GVVQMGMWFLQVEC-QJPTWQEYSA-N 310.398 -0.318 30 20 DBED CC(=O)NCC(=O)N[C@@H](C)CCCN=c1cc[nH]c(C#N)n1 1114830376 VQMIDAMERYQYMV-JTQLQIEISA-N 304.354 -0.397 30 20 DBED C#CCCN1C[C@H]2[C@H](NC(=O)COCc3ncnn3C)[C@H]2C1 1115055798 NREBEXGJIYTNFZ-JYAVWHMHSA-N 303.366 -0.599 30 20 DBED CCn1nncc1C(=O)N(C)C[C@@H](C)N=c1cc[nH]c(C#N)n1 1115706060 QEHIQXWSRMDSEB-SNVBAGLBSA-N 314.353 -0.046 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@@H](C)c1ncnn1C)[C@H]1CCCO1 1117543085 CWXUEAWZSPKOMB-GARJFASQSA-N 305.338 -0.711 30 20 DBED C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)[C@@H]1CCO 1118472663 SGWSBTJFLFUVLA-IOASZLSFSA-N 323.393 -0.127 30 20 DBED C=C(C)CN(C)C(=O)C(=O)N1CC[C@@H](S(=O)(=O)NCC)C1 1118823247 DGGREXRAIMCXFY-LLVKDONJSA-N 317.411 -0.439 30 20 DBED N#Cc1cnc(N[C@H](CO)CNC(=O)C2CCOCC2)cn1 1120986999 ULOGSFWBPCQBFF-LBPRGKRZSA-N 305.338 -0.336 30 20 DBED N#Cc1cccnc1N[C@H](CO)CNC(=O)CCn1cncn1 1121067076 HFCCWAITOXAONR-LBPRGKRZSA-N 315.337 -0.476 30 20 DBED CCCC(=O)NCC(=O)NC[C@H](CO)Nc1ccc(C#N)cn1 1121160599 ZSVREAPBJKTNPU-GFCCVEGCSA-N 319.365 -0.241 30 20 DBED Cn1ncc(C(=O)NC[C@H](CO)Nc2ccc(C#N)nc2)n1 1121771712 XCGXTZFTXAGXFD-LLVKDONJSA-N 301.310 -0.715 30 20 DBED C#Cc1ccc(C(=O)NC[C@H](CO)Nc2ccc(C#N)nn2)nc1 1121846782 BMOAHASFQNCBMB-CYBMUJFWSA-N 322.328 -0.073 30 20 DBED N#Cc1cccnc1N[C@H](CO)CNC(=O)Cc1ncc[nH]1 1121977342 OCUZXTIEDNJALN-NSHDSACASA-N 300.322 -0.192 30 20 DBED COc1nc(C(=O)NC[C@@H](CO)Nc2cnc(C#N)cn2)co1 1122286660 UYMDVJXKWKIEQQ-VIFPVBQESA-N 318.293 -0.452 30 20 DBED CNC(=O)[C@H](C#N)C(=O)c1cnc2c(c1)c(O)nc(=O)n2C 1122415405 HOAWLYIYTGXJFW-MRVPVSSYSA-N 301.262 -0.897 30 20 DBED C=CCn1cc(C(=O)NC[C@H](CO)Nc2cc(C)ncn2)nn1 1122635027 GQOLLIDBEMGKMH-LLVKDONJSA-N 317.353 -0.235 30 20 DBED CN(C[C@@H](O)CNc1ncccc1C#N)C(=O)Cn1nccn1 1124568694 SADMJLOBMBBPDL-LBPRGKRZSA-N 315.337 -0.524 30 20 DBED C=CCOCC(=O)NCCN[C@@H](C)C(=O)NC[C@H]1CCCO1 1124772851 KKPBPQDYFMGLTD-QWHCGFSZSA-N 313.398 -0.422 30 20 DBED N#Cc1c[nH]c(C(=O)NCCNCC(=O)NC[C@H]2CCOC2)c1 1125370975 ZYLMQSDXKBXQKR-LLVKDONJSA-N 319.365 -0.642 30 20 DBED C#CCNC(=O)CC(=O)NCCNCC(=O)N(C(C)C)C(C)C 1125978774 XRDOKPCEZMCOIX-UHFFFAOYSA-N 324.425 -0.523 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)CCCC(=O)NC 1126021952 WESWNQYEROJXMD-UHFFFAOYSA-N 324.425 -0.191 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1ccnn1C1CCC1 1127534891 UPFGWIRYDYQRKH-UHFFFAOYSA-N 304.354 -0.433 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCn2ncc(CNC(=O)CC)c2C1 1128146204 YIFUZORTNKMBPG-GFCCVEGCSA-N 317.393 -0.137 30 20 DBED C#CCN1CCn2ncc(CNC(=O)[C@@H](C)OCCOC)c2C1 1128517377 JEJSQKDAVDMLPF-CYBMUJFWSA-N 320.393 0.000 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1cn(C)nc1C(F)F 1129615211 ZLASURQZHSWBIS-UHFFFAOYSA-N 315.324 -0.021 30 20 DBED C#CCN1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H](C)NC(N)=O)C1 1130380885 KRZHSMWRXLVAJP-WDEREUQCSA-N 318.381 -0.495 30 20 DBED C#CCN[C@@H]1CN(C(=O)CCN(C)C)C[C@H]1c1cn(C)cn1 1130659584 RWLUQMPJTZXYSX-DZGCQCFKSA-N 303.410 -0.111 30 20 DBED C=CCO[C@@H](C)C(=O)N1C[C@@H](NCCO)[C@H](c2cncn2C)C1 1131132970 VUYMCEIITWNVOG-BFHYXJOUSA-N 322.409 -0.113 30 20 DBED C=CCOCC(=O)N1C[C@@H]2C[C@@H]3CN(CCCO)C[C@]2(C1)O3 1131197992 VXYZWEJAWAVPOV-SQWLQELKSA-N 310.394 -0.127 30 20 DBED CCC(=O)NCC(=O)N1C[C@@H]2C[C@@H]3CN(CC#N)C[C@]2(C1)O3 1131209715 GYTKYCPMRBOMJQ-YWPYICTPSA-N 306.366 -0.662 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)c1cc(=O)c(OC)co1 1131360913 VCVBCFMMOZFWDB-JTQLQIEISA-N 323.349 -0.342 30 20 DBED C#CCN1CCN([C@@H]2CCCN(C(=O)COCC)C2)C(=O)C1 1131706359 CMAIXSIMQIRCFY-CQSZACIVSA-N 307.394 -0.209 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)CC(=O)NC)CC[C@@H]1C 1131973159 YRGUSQSLBHWXCI-RYUDHWBXSA-N 310.398 -0.606 30 20 DBED C[C@@H]1CC[C@H](NC(=O)C(C)(C)C(N)=O)CN1CC(=O)NCC#N 1132120424 ROSMZJBAVDANRQ-MNOVXSKESA-N 323.397 -0.893 30 20 DBED C#Cc1ccc(C(=O)NCCNCCN(C)S(C)(=O)=O)cc1 1132223520 ZHWYKCANZISIGT-UHFFFAOYSA-N 323.418 -0.121 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)c2cn[nH]c2)CC[C@@H]1C 1132658748 KJFRAVNVKWCRKK-GXTWGEPZSA-N 317.393 -0.153 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@@H]1CCCc2nn(C)cc21 1132926936 TWEQQKHINGDNQC-GFCCVEGCSA-N 317.393 -0.705 30 20 DBED C#Cc1cncc(C(=O)NCCNCc2nnnn2C2CC2)c1 1133593236 UVETYOIIPSHBIY-UHFFFAOYSA-N 311.349 -0.096 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)C[C@@H](C)n1ccnc1 1134517900 WFTGYHGLGDGRMC-OLZOCXBDSA-N 305.382 -0.322 30 20 DBED C=CCN[C@H](C)C[C@@H](C)NC(=O)c1c[nH]nc1S(N)(=O)=O 1135460626 PRHAQDIXOQEAGB-RKDXNWHRSA-N 315.399 -0.270 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)c1ccc(OC)o1 1135663735 JYNTUOGLFQDSRH-UHFFFAOYSA-N 324.337 -0.381 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)c1cn(CC)nn1 1135806895 LDUPBHVYNONBIE-NEPJUHHUSA-N 320.397 -0.466 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)C[C@H](OC)C(F)(F)F 1146924842 KJYOUYOZMWLUDA-UWVGGRQHSA-N 323.315 -0.203 30 20 DBED C#CCO[C@H](C)C(=O)N1CC2(CCN([C@H](C)C(=O)NC)C2)C1 1147534434 HHJWSSKQTTZRFA-CHWSQXEVSA-N 307.394 -0.307 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CCCN1C(C)=O 1148447596 ISBYZBZMNQHSDN-YPMHNXCESA-N 310.398 -0.606 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)[C@]2(CC)CCNC2=O)C1 1149875430 QUDYVKJQSXJSFO-CZUORRHYSA-N 307.394 -0.257 30 20 DBED C=CCO[C@@H](C)C(=O)NC[C@H]1CN(CC(=O)NC)CCCO1 1150810740 HTHJROCBTWXUNN-STQMWFEESA-N 313.398 -0.469 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)CNC(=O)[C@H](C)CC)C1=O 1151366603 PAVXMBMESJADMT-CHWSQXEVSA-N 324.425 -0.359 30 20 DBED CCN(CC#CCOC)[C@H](C)CNC(=O)CN1C(=O)CNC1=O 1156807424 DCPNRYCWUMEAKN-GFCCVEGCSA-N 324.381 -0.985 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)[C@H](C)NC(=O)CC 1158663757 RHVSWDHPMCVYSP-RYUDHWBXSA-N 312.414 -0.312 30 20 DBED C#CCN1CCC(CNC(=O)[C@@H]2CCC(=O)N2)(COC)CC1 1162585842 VSYUBCJSEMKBBQ-ZDUSSCGKSA-N 307.394 -0.257 30 20 DBED C#CCO[C@@H](C)C(=O)NCCC1(CNCC(=O)NCC#N)CC1 1164519907 WEUOCXKUYGNAHS-ZDUSSCGKSA-N 320.393 -0.459 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)c1[nH]c(C)nc1C 1166891278 ADAKOPIJUXFMJP-NSHDSACASA-N 305.382 -0.126 30 20 DBED C=CCNC(=O)CNCCCNC(=O)CCN1CCOCC1 1168441271 DZWNZIHJEYPYPZ-UHFFFAOYSA-N 312.414 -0.893 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCCCNCC(=O)N(C)C 1170310037 AICXRMRQTBLSBZ-ZDUSSCGKSA-N 324.425 -0.521 30 20 DBED CNS(=O)(=O)CC(=O)NCCCNCc1ccc(C#N)cc1 1176337024 XKBQXGSCCCJUON-UHFFFAOYSA-N 324.406 -0.297 30 20 DBED C#CCN1CCC(C(=O)NCCCNCc2cnn(C)n2)CC1 1176926690 UBLJAHIFALRXCY-UHFFFAOYSA-N 318.425 -0.244 30 20 DBED C=CCCC(=O)N1CC[C@@H]2OCCN(Cc3nnnn3C)[C@H]2C1 1176949021 IJJCDHZMBMUIOD-STQMWFEESA-N 320.397 -0.022 30 20 DBED C#CCCCC(=O)N1CC[C@H](NCC(=O)NC(=O)NC)[C@@H]1C 1178576942 HQZGAQKPNKSXMH-RYUDHWBXSA-N 308.382 -0.176 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2cnnn2CC)[C@H]1C 1178621564 IOPLBGZGAHGBIC-RYUDHWBXSA-N 318.381 -0.760 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2ccnnc2C)C1 1183985116 MDAYGWOLNZQKBB-QWHCGFSZSA-N 315.377 -0.273 30 20 DBED C[C@@H]1CN(C(=O)c2cc(=O)n(C)cn2)CC[C@H]1CNCC#N 1184596471 MASANHHNRIIYRQ-NEPJUHHUSA-N 303.366 -0.008 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)CCc2cnn[nH]2)C1 1185750315 VYJDFXSSKHLJEW-WCQYABFASA-N 320.397 -0.382 30 20 DBED N#CCN1C[C@@H]2CCN(C(=O)CCCn3c(O)nnc3O)[C@@H]2C1 1188413642 RRGXCQURQOXDNA-WDEREUQCSA-N 320.353 -0.474 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2cccs2)C1 1190751408 YUCIXBMXORCYGL-GHMZBOCLSA-N 307.375 -0.728 30 20 DBED COCCOCCN1C[C@@H](O)[C@H](NC(=O)CSCC#N)C1 1191161844 LWTVCOGHUPBFEN-VXGBXAGGSA-N 317.411 -0.933 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CN(CC(=O)Nc2nccs2)C[C@H]1O 1191853945 HYTCUTIGNLQVHS-OPRDCNLKSA-N 323.378 -0.597 30 20 DBED CC#CCCCC(=O)N[C@@H]1CN(CC(=O)NCC2CC2)C[C@H]1O 1195466662 DLEFKUSENSTERH-HUUCEWRRSA-N 321.421 -0.133 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(Cc2nonc2C)C[C@H]1O 1199284727 QGSAEIQXTLNIMR-CHWSQXEVSA-N 310.354 -0.368 30 20 DBED N#CCNC(=O)CNC[C@@H]1CN(C(=O)/C=C/C2CC2)CCCO1 1200207352 SLOSCZZEBGRDBO-ISZGNANSSA-N 320.393 -0.201 30 20 DBED CC[C@H](NC[C@@H]1CN(C(=O)C#CC2CC2)CCCO1)C(N)=O 1200453145 RHOHWADATYZTNY-KGLIPLIRSA-N 307.394 -0.129 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)Cc2nonc2C)CC1 1203143821 VOUOMVBIEXCPCV-UHFFFAOYSA-N 321.381 -0.197 30 20 DBED CC#CCN[C@@H]1C[C@H](NC(=O)Cn2c(O)nnc2O)C12CCC2 1203662281 ZKTRNOUIZSFJJL-MNOVXSKESA-N 319.365 -0.270 30 20 DBED C#CCCN[C@@H]1C[C@H](NC(=O)CN2C(=O)CNC2=O)C12CCC2 1203694390 FKCMXDRXTDCLAE-NEPJUHHUSA-N 318.377 -0.422 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)Cc1ccoc1 1206897310 SGRKTTMCAFJELB-DGCLKSJQSA-N 304.350 -0.102 30 20 DBED COCC#CCN1C[C@@H](NC(=O)C[C@@H]2CCC(=O)N2)[C@H](C)C1 1209379830 FTIUAVWCRWURIK-HZSPNIEDSA-N 307.394 -0.259 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)C[C@@H]1CCN(C)C1 1210298300 ODALNEJYQVAHJN-HZSPNIEDSA-N 321.425 -0.596 30 20 DBED C#CCN1C[C@@H](NC(=O)CCCN2C(=O)CNC2=O)[C@H](C)C1 1210910687 XLPDNTBRILFLLT-VXGBXAGGSA-N 306.366 -0.612 30 20 DBED COCC#CCN1C[C@@H](NC(=O)Cc2ccnn2C)[C@H](OC)C1 1212179991 FWBCXTUDJXIBEN-HUUCEWRRSA-N 320.393 -0.572 30 20 DBED CO[C@@H]1CN(CCS(C)(=O)=O)C[C@H]1NC(=O)C#CC1CC1 1212245935 GRKJQCFUNVEDGM-CHWSQXEVSA-N 314.407 -0.740 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2nncn2C)C[C@H]1OC 1212262316 LFEYWLHXEKTEQK-CHWSQXEVSA-N 321.381 -0.830 30 20 DBED C=CCOCCN1C[C@@H](NC(=O)CCn2cnnn2)[C@H](OC)C1 1213618259 SICCHLQDXYZRKK-CHWSQXEVSA-N 324.385 -0.919 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN([C@@H]2CCNC2=O)C[C@H]1OC 1213959700 XLEWNVVFZULUDT-JHJVBQTASA-N 311.382 -0.717 30 20 DBED Cc1nnsc1C(=O)N1C[C@@H](NCC(=O)NCC#N)[C@H](C)C1 1214111802 HELDYQKEQGHZHW-PSASIEDQSA-N 322.394 -0.464 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)C#CC1CC1 1217835506 VGOXAOFHYXZAEJ-LSDHHAIUSA-N 317.389 -0.386 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)c2cc(C)on2)C1 1219161154 UFDBQMZLGHDIAO-RTXFEEFZSA-N 322.365 -0.551 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2cc(C)on2)C[C@@H]1O 1219612103 YTKUFUYIAWWKQQ-KGLIPLIRSA-N 307.350 -0.316 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)c2cnnc(O)c2)C1 1219845194 DWBONDPTDHUJBD-NEPJUHHUSA-N 308.338 -0.840 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)CCCF)C1 1220164335 FLNHCQNLAZPAJT-UTUOFQBUSA-N 301.362 -0.412 30 20 DBED C=CCNC(=O)CN1CC[C@@H]2CN(C(=O)Cc3cc[nH]n3)[C@@H]2C1 1221458918 ZDWQDGUCWFXEBU-TZMCWYRMSA-N 317.393 -0.213 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCCN(C(=O)CCCC(N)=O)C1 1222117405 JDAMGUNRSSDYRI-STQMWFEESA-N 322.409 -0.640 30 20 DBED C#CCN1CC[C@@H]2CCN(C(=O)[C@@H](C)NS(C)(=O)=O)C[C@@H]21 1223572288 GBCZBMYYAOYJAQ-UPJWGTAASA-N 313.423 -0.520 30 20 DBED CC(=O)NCCOCCN1CCC(NC(=O)[C@@H](C)C#N)CC1 1226640969 SPYLJFDWGZCFJP-LBPRGKRZSA-N 310.398 -0.121 30 20 DBED C#CCNC(=O)CC(=O)NC1CCN(C[C@H]2CCOC2)CC1 1226993363 DGPAEWKLRKDVLW-CYBMUJFWSA-N 307.394 -0.257 30 20 DBED CO[C@@H](C(=O)NC1CCN(CC(=O)NCC#N)CC1)C1CC1 1227152204 UBMFOSQRDHDPKM-CQSZACIVSA-N 308.382 -0.368 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)c2cncn2C)CC1 1228168766 IXKWWMDKPKARHX-UHFFFAOYSA-N 303.366 -0.636 30 20 DBED C#CCN1CCS(=O)(=O)[C@H](CCNC(=O)[C@@H]2CCCO2)C1 1230416446 IXKTYPNLFUYNHB-OLZOCXBDSA-N 314.407 -0.596 30 20 DBED COC[C@@H](O)CN1CC[C@@H]1CN(C)C(=O)CSCC#N 1230815284 MXNUDNZRKDBIPS-NEPJUHHUSA-N 301.412 -0.217 30 20 DBED N#CCn1cc(NC(=O)C(=O)N2CC[C@](O)(C3CC3)C2)cn1 1320957873 CGGSKBXUXDBFAW-CQSZACIVSA-N 303.322 -0.281 30 20 DBED C#CCn1ccc(CN(CC)C(=O)c2nc(O)nc(O)c2N)n1 1320975944 PDMHSELUYOWYRY-UHFFFAOYSA-N 316.321 -0.038 30 20 DBED C[C@H](O)[C@H]1CCCN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)C1 1326215367 LRPQYRFCGJSLBP-HUBLWGQQSA-N 309.366 -0.517 30 20 DBED COC(=O)[C@@H]1CCN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)[C@@H]1C 1327039354 MTMCMLALQJXWNF-HFAKWTLXSA-N 323.349 -0.727 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCO[C@H](CC)C1 1329799308 CMWSJBYESWGFGU-LLVKDONJSA-N 318.395 -0.659 30 20 DBED N#CCCCNC(=O)C(=O)N[C@@H]1CCN(C2CCOCC2)C1=O 1331039091 AUELNWCOQFJENU-GFCCVEGCSA-N 322.365 -0.698 30 20 DBED C=CC[C@@H]1NC(=O)N(C[C@H]2CCN(S(C)(=O)=O)C2)C1=O 1339079933 SAHVNOZAYOXQNH-UWVGGRQHSA-N 301.368 -0.236 30 20 DBED COCCNC(=O)[C@@H](C#N)C(=O)[C@@H]1CCc2nnn(C)c2C1 1343476289 BVAAWZOHIWKQSZ-ZJUUUORDSA-N 305.338 -0.609 30 20 DBED N#Cc1ncc(OCC(=O)NCCCN2CCCC2=O)cn1 1345172811 DUEQXHDUZLNRRU-UHFFFAOYSA-N 303.322 -0.144 30 20 DBED N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)CO[C@@H]1CCOC1 1361323644 VGHIZMMATJQRJB-SNVBAGLBSA-N 321.337 -0.138 30 20 DBED CS(=O)(=O)[C@H]1CCN(Cc2cc(O)n3ncc(C#N)c3n2)C1 1363221380 AYKCKSZWEZXPNS-NSHDSACASA-N 321.362 -0.075 30 20 DBED COc1ccnc(CN2CC(O)(CNC(=O)[C@@H](C)C#N)C2)c1 1376139660 DTGFYQKKOMRTAO-NSHDSACASA-N 304.350 -0.087 30 20 DBED CN(CCN(C)C(=O)[C@H]1CCC(=O)N1)C(=O)c1c[nH]c(C#N)c1 1399687011 YPGYMRSZEMYEIN-GFCCVEGCSA-N 317.349 -0.305 30 20 DBED CCN(CCNC(=O)[C@@H](C)C#N)[C@H](C)C(=O)NC(=O)NC1CC1 1399695099 VXAXHRUFKYXWAX-WDEREUQCSA-N 323.397 -0.039 30 20 DBED CCN(CCC#N)C(=O)CNC1CC(N(C)C(=O)COC)C1 1403998509 LYNPEOOUUBCIKV-UHFFFAOYSA-N 310.398 -0.026 30 20 DBED CCNC(=O)NC(=O)[C@@H](C)N(C)CCN(C)C(=O)[C@H](C)C#N 1406082546 XEDKNWCXOULTDM-GHMZBOCLSA-N 311.386 -0.230 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H](O)CNC[C@@H]2CCCOC2)c1 1406223228 YOCPCWRZPZLUGT-WCQYABFASA-N 306.366 -0.007 30 20 DBED N#Cc1cn(CC(=O)N[C@H]2CCN(CC3CC3)C2)c(=O)nc1O 1412546309 SUINVWMRSUTWQG-LBPRGKRZSA-N 317.349 -0.579 30 20 DBED CNC(=O)c1cccc(C(=O)N[C@@H](C)CNC(=O)[C@H](C)C#N)n1 1428785620 BJPXSHAXSDUDAE-ZJUUUORDSA-N 317.349 -0.165 30 20 DBED C=C(Cl)CNC[C@@H](C)CNC(=O)[C@@H]1CC(=O)NC(=O)N1 1444375725 KLRVXUJQNYUMJA-APPZFPTMSA-N 302.762 -0.321 30 20 DBED Cc1nnc(CNC[C@H](O)CNC(=O)c2cc(C#N)c[nH]2)o1 1445152956 JXSCFSPNYPTQCZ-JTQLQIEISA-N 304.310 -0.542 30 20 DBED CO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1NC(=O)CCCN(C)C 1445614059 QMSXJAWJNOPBLW-YNEHKIRRSA-N 310.398 -0.170 30 20 DBED N#Cc1cn(CCNC(=O)C2(F)CCOCC2)c(=O)nc1O 1453846486 UZHAOYSIKCJLRJ-UHFFFAOYSA-N 310.285 -0.545 30 20 DBED N#Cc1cn(CC(=O)N2CC(OCC(F)F)C2)c(=O)nc1O 1465589256 PVBQPCMPAKTNIW-UHFFFAOYSA-N 314.248 -0.687 30 20 DBED C=C(Cl)CNC1(CNC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 1499365295 VUYLKUIFIVFHOE-QMMMGPOBSA-N 300.746 -0.425 30 20 DBED C=CCn1c(CO)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1520541701 RQVSPXBBCBFMBJ-SNVBAGLBSA-N 300.384 -0.030 30 20 DBED C#C[C@H]1COCCN1C(=O)c1nc(O)c(-c2nn[nH]n2)cc1C 1573278921 ADRVDQAKZATIJJ-VIFPVBQESA-N 314.305 -0.250 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](N=c2cc[nH]c(-c3nn[nH]n3)n2)C1 1573563588 AYYRJQLTKJLFNQ-RKDXNWHRSA-N 313.325 -0.749 30 20 DBED N#C[C@@H](c1ccccc1)N1CCN(C(=O)C2(O)CNC2)CC1 1574242347 UOLUZUWWELQTCN-AWEZNQCLSA-N 300.362 -0.270 30 20 DBED C#CC[C@@H](NS(=O)(=O)N1CCC(C(=O)O)CC1)C(=O)OC 1588388449 AJMOTIQNUBOPKU-SNVBAGLBSA-N 318.351 -0.818 30 20 DBED C#CC[C@H](NC(=O)[C@](C)(O)Cn1ccc(C)cc1=O)C(=O)O 1588399376 UKJHRDKPBRHLQJ-XHDPSFHLSA-N 306.318 -0.500 30 20 DBED C#CCN1CCN(C(=O)CN2CCC[C@@H](C(=O)O)C2=O)CC1 1588476903 IBHYIVKLXVFOQD-GFCCVEGCSA-N 307.350 -0.913 30 20 DBED C#CCOCCC(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@@H]2C(=O)O)C1 1588489503 BIZRUCANDWZJQR-KXNHARMFSA-N 308.334 -0.490 30 20 DBED C=C(CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)OCC 1588619120 LLCFSLBDTLHQHC-VHSXEESVSA-N 314.338 -0.020 30 20 DBED C=CCN1C(=O)C(=O)N(Cc2noc(CCC(=O)O)n2)C1=O 1588832625 SXUZWKOREHEKOD-UHFFFAOYSA-N 308.250 -0.436 30 20 DBED C=CCOC[C@@H](NS(=O)(=O)C[C@@H](C)C(=O)O)C(=O)OC 1588867193 VWJQBVNXGKJZMP-RKDXNWHRSA-N 309.340 -0.629 30 20 DBED C[S@](=O)C1(CNc2cnc(-c3nn[nH]n3)c(C#N)n2)CC1 1591683083 SGNAUDIKPXKFNZ-NRFANRHFSA-N 304.339 -0.149 30 20 DBED N#CCNC(=O)Cn1nnc(-c2ccccc2)c1-c1nn[nH]n1 1592678720 MHIBNEVTJZMDGQ-UHFFFAOYSA-N 309.293 -0.235 30 20 DBED N#Cc1nc(NC(=O)CCN2CCOC2=O)[nH]c1-c1nn[nH]n1 1592682786 CCIKYOZIXGZBEV-UHFFFAOYSA-N 317.269 -0.758 30 20 DBED CC1(NCC(=O)NCC#N)CCN(C(=O)[C@H]2C[C@@H]2C(=O)O)CC1 1594061170 SSVQCTXGDGPPFJ-QWRGUYRKSA-N 322.365 -0.682 30 20 DBED COC(=O)CCCS(=O)(=O)N1CCC(C#N)(C(=O)O)CC1 1598852468 RGHAGQNUYGAGKO-UHFFFAOYSA-N 318.351 -0.040 30 20 DBED Cc1[nH]nc(S(=O)(=O)N=c2cc[nH]c(C#N)c2)c1C(=O)O 1600673958 IQFAYZLVUHVCPT-UHFFFAOYSA-N 307.291 -0.094 30 20 DBED C#CC[C@@H](COC)NC(=O)C(=O)Nc1cnn(CC(=O)O)c1C 1602683531 RAKPMNYLEKBNTM-JTQLQIEISA-N 322.321 -0.631 30 20 DBED C[C@H](C#N)OCCN(C)CCCc1[nH]nc(N)c1-c1nn[nH]n1 1602989853 UXLPNEARQNIJEM-SECBINFHSA-N 319.373 -0.035 30 20 DBED C[C@]1(C(=O)O)CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)C1 1603308363 KXTQPADWJFLVOL-KOLCDFICSA-N 303.340 -0.748 30 20 DBED O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@H]1CC[C@H]1C(=O)O 1606556529 XHYJYKUFNPGVSG-SMEOSRJESA-N 307.306 -0.260 30 20 DBED Cn1ccnc1[C@@H](NC(=O)Cn1cnc(C#N)n1)C(C)(C)CO 1649901559 OLBITRVBHFZIBP-GFCCVEGCSA-N 317.353 -0.241 30 20 DBED COCC#CCN[C@@H](C)CCNC(=O)CCN1C(=O)CCC1=O 1690851981 OGVMWFBQKNGXGX-ZDUSSCGKSA-N 323.393 -0.340 30 20 DBED CN1CCC[C@@H]1C(=O)N[C@H]1C[C@H](CNCC(=O)NCC#N)C1 1700637609 RSDPUQMQDZXZMB-JHJVBQTASA-N 307.398 -0.795 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC[C@@H]1CNCCN1CCNC1=O 1715208889 OKIOJSCWPPNLNE-ZIAGYGMSSA-N 322.409 -0.370 30 20 DBED C=C(C)CN1CCN(CCNC(=O)c2cn(C)c(=O)n2C)CC1 1752381484 BJFIDPBADDZTAC-UHFFFAOYSA-N 321.425 -0.353 30 20 DBED C=CCNC(=O)[C@@H](C)NC[C@@H]1CCN(C(=O)c2cnon2)C1 1752953226 CTMXGUNPHVQNGV-MNOVXSKESA-N 307.354 -0.188 30 20 DBED COCC#CCNC[C@H]1CCN(C(=O)C(=O)NCC2CC2)C1 1752955848 HZVMJCOHDCBXGR-CQSZACIVSA-N 307.394 -0.400 30 20 DBED C#CCNC(=O)CN(CCC)CCNC(=O)c1cnsn1 1753142961 QJOTVBYCWNALLP-UHFFFAOYSA-N 309.395 -0.271 30 20 DBED C=CCNC(=O)CN1CC(NC(=O)[C@@H]2CCCc3n[nH]cc32)C1 1753377507 BTKPZRUOFQILBF-GFCCVEGCSA-N 317.393 -0.068 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1CN(CC(=O)Nc2ccon2)C1 1753401086 RXBZFVWLTGNXPS-HNNXBMFYSA-N 322.365 -0.012 30 20 DBED C=CCN1CC[C@@H](N2CC(CNC(=O)C3(C(N)=O)CC3)C2)C1=O 1753410172 AKSAQPOXNZGZBC-GFCCVEGCSA-N 320.393 -0.913 30 20 DBED C#CCNC(=O)CNC[C@H](C)CNC(=O)c1cnc(C)nc1C 1753634229 MRWDGXBCQNHTKJ-NSHDSACASA-N 317.393 -0.202 30 20 DBED C=CCNC(=O)[C@@H](C)N(C)CCN(C)C(=O)[C@@H]1COCCO1 1753847385 XVHOKLCVAWUDFT-OLZOCXBDSA-N 313.398 -0.517 30 20 DBED COCC#CCNC[C@H](O)CNC(=O)c1cnc2n1CCC2 1753913974 MUMOAHAKDUPAEQ-LBPRGKRZSA-N 306.366 -0.841 30 20 DBED C#CCNC(=O)CN(C)C[C@@H](C)NC(=O)C[C@@H]1CCCC(=O)N1 1754316580 WESZDQLXLCKYII-OLZOCXBDSA-N 322.409 -0.769 30 20 DBED C#CCCN1CC[C@H]1CNC(=O)Cn1nc2n(c1=O)CCCC2 1754496096 CECQHVGMANYGDZ-ZDUSSCGKSA-N 317.393 -0.405 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(NCCS(C)(=O)=O)CCC1 1754980779 QQIDTSVHIACWQT-GFCCVEGCSA-N 316.423 -0.302 30 20 DBED C#CCNC(=O)CN1CC([C@@H](C)NC(=O)c2cccn2C)C1 1755369668 CSJZIAYMBVUWPE-GFCCVEGCSA-N 302.378 -0.175 30 20 DBED CN(C(=O)c1ncccn1)C1CC(NCC(=O)NCC#N)C1 1755863530 YNZWCADVZQCBTI-UHFFFAOYSA-N 302.338 -0.691 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H](C1CC1)N(C)C(=O)c1cnn[nH]1 1756415073 BYEVKERLTPUYKL-GXFFZTMASA-N 319.365 -0.190 30 20 DBED C=C1CC(C)(C(=O)NC[C@H](CO)NC(=O)[C@H](COC)OC)C1 1756547562 CGQNKSJSAIPGDP-NEPJUHHUSA-N 314.382 -0.403 30 20 DBED CN(C[C@H](O)CNC(=O)C#CC1CC1)C(=O)c1csnn1 1756671011 RLHLICHVUNDFQF-SNVBAGLBSA-N 308.363 -0.499 30 20 DBED C=CCCOCC(=O)N1CC[C@H](CNC(=O)C(N)=O)[C@H](C)C1 1756943768 AUTIWKMFTADVEC-VXGBXAGGSA-N 311.382 -0.335 30 20 DBED C=C[C@](C)(O)CC(=O)N1C[C@@H](O)[C@H](NC(=O)C2=COCCC2)C1 1756984362 RFQNTLWLJRSTQG-IOASZLSFSA-N 324.377 -0.304 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1CN(C(=O)[C@@H]2CCC(=O)NC2)C[C@H]1O 1757022206 NFTFKOLUDOZGBZ-IJLUTSLNSA-N 323.393 -0.587 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)c1ccco1)CCO2 1783045919 GJBIRDZEGQKXOA-HOCLYGCPSA-N 318.329 -0.224 30 20 DBED N#CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1C[C@H](O)CN1)C2 1795464186 SYAFPBCCVIRJLG-PPCPHDFISA-N 306.366 -0.739 30 20 DBED CC[C@H](NC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC#N)C2 1795721932 WBJLHJUQCAHKHV-OPDFLTKYSA-N 308.382 -0.512 30 20 DBED N#CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CC[C@@H](N)C(N)=O 1796079258 JGBAIRZLGGRHHE-WRWGMCAJSA-N 321.381 -0.869 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)[C@H](C)CC)C2 1800450358 BLVUOKXHIKBKKJ-AMVBZWJASA-N 308.378 -0.384 30 20 DBED N#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(N)=O 1800515292 TWIFUMNRAPDBTM-QHBPRCKVSA-N 322.365 -0.855 30 20 DBED C[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)S 1800988973 DHHFLIOGKZIVKW-HWUMTFDVSA-N 302.396 -0.725 30 20 DBED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)COC)CCO2 1831633263 FFAJUMCNMZCRFU-XJKSGUPXSA-N 324.377 -0.642 30 20 DBED N#CCC(=O)N1CCCC12CN(C(=O)Cn1ccccc1=O)C2 1842622060 XNRYLKCTVKNKDF-UHFFFAOYSA-N 314.345 -0.035 30 20 DBED Cc1ccc(S(=O)(=O)NCCN(C)CC(=O)NCC#N)cc1 76047631 ULZFETGAVAVUFA-UHFFFAOYSA-N 324.406 -0.155 30 20 DBED CCN(C[C@H](C)C#N)C(=O)CN1CCN(CCOC)C(=O)C1 91830452 SEIFZWMOGIEACM-CYBMUJFWSA-N 310.398 -0.215 30 20 DBED CN(C)S(=O)(=O)c1cc(C(=O)n2ncc(C#N)c2N)n(C)c1 181362007 WMUYTRPSMZSKML-UHFFFAOYSA-N 322.350 -0.386 30 20 DBED CN1CC[C@H](N(C)C(=O)CNC(=O)c2ccc(C#N)cc2)C1=O 265804300 OBKUCSLDOKHXQI-ZDUSSCGKSA-N 314.345 -0.023 30 20 DBED C=CCCOCCNC(=O)C(=O)N[C@H]1CCN(C(=O)CC)C1 288307706 NWWJKYRSAJSAQO-LBPRGKRZSA-N 311.382 -0.178 30 20 DBED C=CCN(C)C(=O)C(=O)N1CCN(CCC(=O)OC)C[C@H]1C 297876853 PLHBFZUGJIBXNW-GFCCVEGCSA-N 311.382 -0.273 30 20 DBED Cn1cc(N2CC[C@H](/N=C(/O)N[C@@H]3[C@H]4COC[C@H]43)C2=O)cn1 329952511 IVWWSJWHTOYDNS-WHOHXGKFSA-N 305.338 -0.326 30 20 DBED CC(C)[C@H](/C(O)=N/Cc1nnn(C)n1)N1CCCS1(=O)=O 330208250 GQDJEDNZBNVXFU-SNVBAGLBSA-N 316.387 -0.273 30 20 DBED N#CCN1CCC[C@@H](CNC(=O)[C@@H]2CN3CCCN2CC3)C1 332768178 GZBVXDQWHMGZFD-GJZGRUSLSA-N 305.426 -0.272 30 20 DBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)CN1CCS(=O)(=O)CC1 333070659 OSLLOGVSWXYBRG-JSGCOSHPSA-N 316.423 -0.186 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[C@H](NC(=O)NC)C1 336934112 DNYNMTSYDFATAW-MNOVXSKESA-N 317.415 -0.284 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)NC[C@@H]2CCC[C@@H](O)C2)CCO1 337057232 CYENYKBVZXGMIP-IJLUTSLNSA-N 303.384 -0.404 30 20 DBED C=CCN1CCC(NS(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 337060766 GRISLDFVNRQMSV-ZDUSSCGKSA-N 314.411 -0.304 30 20 DBED COC(=O)[C@@H]1COCCN1S(=O)(=O)N(C)[C@H](C)CC#N 337989058 IGFRNFROKHKCTG-ZJUUUORDSA-N 305.356 -0.661 30 20 DBED COCC1(C#N)CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC1 343149501 OPOYIANXJMJPFR-UHFFFAOYSA-N 317.349 -0.288 30 20 DBED C[C@@H]1CS(=O)(=O)CCN1C(=O)CNc1ccc(C#N)cn1 346059294 DKHZCOXAIDLTOU-SNVBAGLBSA-N 308.363 0.011 30 20 DBED C=CCOC[C@H]1NC(=O)N(CCNS(=O)(=O)CC)C1=O 348435486 XAUMSIDZLJSTEC-SECBINFHSA-N 305.356 -0.951 30 20 DBED Cn1cnc2c1c(=O)n(CC(=O)NCCCCC#N)c(=O)n2C 349301149 NVBJRZBSOSASNZ-UHFFFAOYSA-N 318.337 -0.756 30 20 DBED CCC1(CC)NC(=O)N(CC(=O)N[C@]2(C#N)CCOC2)C1=O 358451334 ZQKHHADATDGBLW-ZDUSSCGKSA-N 308.338 -0.104 30 20 DBED COC(=O)[C@@](C)(O)CNC(=O)COc1ccc(C#N)cc1OC 358912154 YHQUTULIIILCEZ-HNNXBMFYSA-N 322.317 -0.014 30 20 DBED C#CC[C@@H](NC(=O)c1c(Br)nnn1C)C(=O)O 383904374 OACINMSZKQGILY-RXMQYKEDSA-N 301.100 -0.216 30 20 DBED C=CCn1cc(CNC(=O)[C@H]2CC(=O)N(CCOC)C2)nn1 424923605 KJPQGYBBEVBUGE-NSHDSACASA-N 307.354 -0.425 30 20 DBED C#CCNC(=O)C1CCN([C@@H](C)C(=O)NC(=O)NCC)CC1 491731110 AKVFMTGWXYHZNF-NSHDSACASA-N 308.382 -0.318 30 20 DBED CC[C@@](C)(C#N)NC(=O)CNS(=O)(=O)c1cn(C)c(C)n1 524269604 CIRAEFZXNLODQX-LBPRGKRZSA-N 313.383 -0.185 30 20 DBED C[C@H](C#N)CN(C)C(=O)C(=O)N(CCN(C)C)CCN(C)C 572819100 QAHNYGSSLFQIJZ-CYBMUJFWSA-N 311.430 -0.444 30 20 DBED CN(C)C(=O)Cn1cc(CN2CCOCC2)cc(C#N)c1=O 580689393 SNJVZSMXRZULQQ-UHFFFAOYSA-N 304.350 -0.360 30 20 DBED COC(=O)[C@@H]1C[C@H](O)CN(C(=O)CNc2ccc(C#N)cn2)C1 592934789 DKNZYSDMIHOCAE-NEPJUHHUSA-N 318.333 -0.252 30 20 DBED CCN1C[C@H](CNc2c(C#N)c(=O)n(C)c(=O)n2C)CC1=O 593499496 UEVZKOVZSIGJDA-VIFPVBQESA-N 305.338 -0.764 30 20 DBED N#Cc1ncn(CCNC(=O)NC[C@@H](C(=O)O)C2CCC2)n1 596654965 OGJFDFGYKQRLIA-SNVBAGLBSA-N 306.326 -0.050 30 20 DBED CCC[C@@H](C(=O)Nc1cc(C)n(CCC#N)n1)S(N)(=O)=O 597460453 QSKMRKOUVUGBOI-JTQLQIEISA-N 313.383 0.501 30 20 DBED CS(=O)(=O)NC1CN(S(=O)(=O)c2ccc(C#N)s2)C1 599422366 NZPOYMYVUYWTMS-UHFFFAOYSA-N 321.405 -0.458 30 20 DBED CN1C(=O)CC[C@H](NC(=O)N2CCN(CCC#N)CC2)C1=O 601617210 JLRMFVKILFZMAT-NSHDSACASA-N 307.354 -0.625 30 20 DBED CN1CCN(C[C@H](O)COc2ccccc2C#N)[C@@H](CO)C1 602905430 NZGLIEYTVAGHJJ-CABCVRRESA-N 305.378 -0.094 30 20 DBED C=CCN(CC=C)C(=O)C(=O)N[C@H]1CS(=O)(=O)C[C@H]1OC 612195196 CQKCXVUXZZADAI-WDEREUQCSA-N 316.379 -0.885 30 20 DBED Cc1nn(C)c(N2CCN(C(=O)c3cnnn3C)CC2)c1C#N 619599534 SJPNRJATOVFCHP-UHFFFAOYSA-N 314.353 -0.309 30 20 DBED C=CCNC(=O)CNC(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1 626379035 NUOGRMKVJYGAKG-JTQLQIEISA-N 305.338 -0.809 30 20 DBED C=CCCN(C)C(=O)C(=O)NCCCN1CCCS1(=O)=O 632587638 FYKLBZCZDQGUHF-UHFFFAOYSA-N 317.411 -0.437 30 20 DBED C=C[C@H](O)C(=O)N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 665825408 CSDKUNSTPLGPNK-UONOGXRCSA-N 303.362 -0.096 30 20 DBED CCS(=O)(=O)NCC(=O)O[C@H](C)C(=O)NC1(C#N)CCC1 787741657 AKLJAGUIOFZUMJ-SECBINFHSA-N 317.367 -0.580 30 20 DBED C#CCC[C@H](O)CNS(=O)(=O)N(CCOC)CCOC 798488604 URONSVJYTDVZBF-LBPRGKRZSA-N 308.400 -0.810 30 20 DBED CCS(=O)(=O)N1CCN(CC(=O)NCCC#N)[C@H](C)C1 805771760 YQAIBNSOJHXCQN-LLVKDONJSA-N 302.400 -0.628 30 20 DBED C#C[C@H](NC(=O)C(=O)N1C[C@H](C)O[C@H](COC)C1)[C@H]1CCCO1 809310741 RKRLLTBEZVYGML-XDQVBPFNSA-N 324.377 -0.454 30 20 DBED C#CC1CCN(C(=O)CNS(=O)(=O)c2cn(C)c(C)n2)CC1 814281410 SGGXJRVNUFPRQD-UHFFFAOYSA-N 324.406 -0.121 30 20 DBED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](CO)CC#C)cc1 816670533 YPOSGARPKPXXDT-ZDUSSCGKSA-N 320.370 -0.288 30 20 DBED C=CCS(=O)(=O)CCNC[C@H](O)Cn1cc([N+](=O)[O-])cn1 819221422 FMGGJMYQYPDUMK-NSHDSACASA-N 318.355 -0.657 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CC(C)=NO2)CC1 826550531 UCIHHOUTHWAIQV-CYBMUJFWSA-N 306.366 -0.565 30 20 DBED C#CC1CCN(C(=O)CCn2cc(S(N)(=O)=O)cn2)CC1 844045768 OLDQJWSOAUPFCR-UHFFFAOYSA-N 310.379 -0.208 30 20 DBED CC#CC[C@H](CO)NC(=O)CSc1nnc(CCC)n1N 844114774 KTDHHTGOBWNHFC-SNVBAGLBSA-N 311.411 -0.073 30 20 DBED N#CCN1CCC(OC(=O)Cn2nc3n(c2=O)CCCC3)CC1 845497696 KQOCMEQFQCXKPU-UHFFFAOYSA-N 319.365 -0.088 30 20 DBED C#CCN(C)CCCNS(=O)(=O)N1CCC(OC)CC1 849395576 XCVPZGSELMSRHG-UHFFFAOYSA-N 303.428 -0.113 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)NCc1ccnc(C)n1 875108833 WRTXKMKAOMUPRV-LBPRGKRZSA-N 304.350 -0.054 30 20 DBED CNC(=O)CNC(=S)NN=C1CCOC2(CCOCC2)C1 884429603 NMDPXGFRBJOCSW-UHFFFAOYSA-N 314.411 -0.088 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCCC(C)(C)N)C1=O 885205312 ZEYQGKPNOFDRCP-LLVKDONJSA-N 310.398 -0.525 30 20 DBED N#Cc1ccc(N2CCN3C(=O)C(=O)NC[C@H]3C2)c(CO)c1 892848442 SOLQPNRXXFLRMM-LBPRGKRZSA-N 300.318 -0.802 30 20 DBED C#CC1(O)CN(S(=O)(=O)c2ccc(C(=O)OC)c(F)c2)C1 908229271 BSHIVPXTBICPEB-UHFFFAOYSA-N 313.306 -0.019 30 20 DBED C#Cc1cccc(NC(=O)CNC(=O)CS(=O)(=O)NC)c1 918760289 MVLRREAFZHNEOC-UHFFFAOYSA-N 309.347 -0.728 30 20 DBED C#CCN1CCC[C@@H](NC(=O)Cn2nc3n(c2=O)CCCC3)C1 923552545 CVLTXBUKHPJPDF-CYBMUJFWSA-N 317.393 -0.405 30 20 DBED C#CC1(O)CN([C@@H](C)C(=O)N2CCN(c3ncccn3)CC2)C1 934448121 ZIUHWPMVNCIDEJ-ZDUSSCGKSA-N 315.377 -0.806 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(NC(=O)c2cnn(C)c2N)CC1 948098528 HQMZMILSKLAGCG-VIFPVBQESA-N 304.354 -0.117 30 20 DBED Cn1cc(C(=O)NC[C@H]2CCN2C(=O)c2ccc(C#N)[nH]2)nn1 949718462 NIOOCHBWESCJLV-SNVBAGLBSA-N 313.321 -0.341 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1ncc[nH]1 950754978 ARBLWXBGMMYXFK-STQMWFEESA-N 315.377 -0.162 30 20 DBED C[C@@H](C#N)C(=O)N1CC(N(C)C(=O)c2cn(C)c(=O)n2C)C1 954557592 PKTIMCQIXGLVNG-VIFPVBQESA-N 305.338 -0.834 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(C)(NC(=O)[C@H]2CN(C)C(=O)N2)CC1 956446057 PVZTWUNUWXCHRW-WDEREUQCSA-N 321.381 -0.333 30 20 DBED C[C@]1(NC(=O)[C@@H]2COCCO2)CCN(C(=O)C#CC2CC2)C1 956720260 ZCCIVDADXXJGFQ-BBRMVZONSA-N 306.362 -0.078 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2ncc(OC)cc2F)C1 958127286 WHOKGGMXVWXXNS-ZWNOBZJWSA-N 307.325 -0.115 30 20 DBED N#CCN1C[C@@H](O)[C@@H](CNC(=O)c2snnc2C2CC2)C1 958158575 SBXVWLHCLLDYJZ-VHSXEESVSA-N 307.379 -0.038 30 20 DBED C#CCN1C[C@H](CNC(=O)c2ccnn2CCOC)[C@@H](O)C1 958170866 ATMMFIVUYZCOPA-JSGCOSHPSA-N 306.366 -0.815 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2ccc3c(c2)nnn3C)C1 958182486 BDYBHFFXDJBIFL-DOMZBBRYSA-N 313.361 -0.376 30 20 DBED CC#CCN1C[C@H](CNC(=O)c2c(O)nnc(C)c2C)[C@@H](O)C1 958313105 JNJWINILSUBJED-STQMWFEESA-N 318.377 -0.155 30 20 DBED N#Cc1c[nH]c(C(=O)NC2[C@H]3CN(CCn4cncn4)C[C@H]23)c1 958505643 ZSTZICMYASNVDC-RYUDHWBXSA-N 311.349 -0.162 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2csc(COC)n2)C1 958744617 RFPWNHAEIGKIDJ-PWSUYJOCSA-N 309.391 -0.055 30 20 DBED Cc1c[nH]c(C(=O)N(C)[C@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)n1 958856915 XHKDZIBGEBVZGC-LSJOCFKGSA-N 305.338 -0.479 30 20 DBED Cc1cnn(CC(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)c1 961787116 GIZBHYYSBOZRQF-UTUOFQBUSA-N 305.338 -0.961 30 20 DBED O=C(NC[C@@H]1COCCN1C(=O)C#CC1CC1)c1cnsn1 964095533 WNVWEFAORQUCFF-LLVKDONJSA-N 320.374 -0.091 30 20 DBED C=CCn1cc(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@H]3C[C@@H]3C)C2)nn1 969767599 HNCRMZWEKHUFCB-KQXIARHKSA-N 319.365 -0.578 30 20 DBED CC#CCN1CC([C@@H](C)NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 970517540 DWOLRKUPRXMGOL-LLVKDONJSA-N 318.377 -0.843 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)C3CN(C(C)=O)C3)C2)C1 972356657 DULWEEHAUDTXGO-MRXNPFEDSA-N 305.378 -0.599 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)Cc3nc[nH]n3)[C@@H]2C1 975299815 OUVZRLLLKFLVRJ-HBNTYKKESA-N 302.338 -0.434 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]21 976742525 UKXNMNFJNPFOJM-MRLBHPIUSA-N 314.389 -0.183 30 20 DBED C[C@H]1C[C@@H](CNCc2nnnn2C)CN1C(=O)C#CC1CC1 980574116 GTCQSHHLXJXNDU-AAEUAGOBSA-N 302.382 -0.050 30 20 DBED COC(=O)[C@H]1C[C@H]1C(=O)N1CC(NC(=O)c2cc(C#N)c[nH]2)C1 990695528 KTLXXFCKTOYFSV-MNOVXSKESA-N 316.317 -0.364 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC(NC(=O)c2ccn(C)n2)C1 991737261 STHLYSOMHIXKKL-AWEZNQCLSA-N 315.377 -0.542 30 20 DBED N#CCN[C@@H]1CCC[C@H]2CN(C(=O)C3CS(=O)(=O)C3)C[C@H]21 992716788 WDGXZOGKEGWFED-CYZMBNFOSA-N 311.407 -0.229 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)[C@H](C)N2CCCCC2=O)C1 993811697 MGSOEDXWNOMJIH-QWRGUYRKSA-N 306.366 -0.126 30 20 DBED C=CCN[C@@H]1CCCN(C(=O)c2cc(=O)n3[nH]cnc3n2)C1 1000694234 KLNIYOSBEXZHKI-SNVBAGLBSA-N 302.338 -0.202 30 20 DBED N#CCN1CCC(CNC(=O)[C@H]2CCc3nnnn3CC2)CC1 1001872174 UXXAPRGSVANKSF-ZDUSSCGKSA-N 317.397 -0.023 30 20 DBED C=CC(C)(C)C(=O)N1CC(CNC(=O)c2nnc(O)nc2O)C1 1003391106 IFMRSAFXBBAFGV-UHFFFAOYSA-N 321.337 -0.317 30 20 DBED O=C1N[C@H](C(=O)NCC2[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]23)CO1 1009022561 XQIMZNJPBWFRSR-AVGNSLFASA-N 317.345 -0.671 30 20 DBED Cn1nnnc1CN1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 1010457454 LRFMUAJDNAVINC-JTQLQIEISA-N 300.326 -0.586 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CCCN(C(=O)C(N)=O)[C@@H]2C)cn1 1015108638 QMBUOLBQGZLAES-ZWNOBZJWSA-N 314.345 -0.343 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCN(C(=O)CCc3nc[nH]n3)C2)C1 1019361848 SSOAAHJONXJSBS-NSHDSACASA-N 316.365 -0.042 30 20 DBED C#Cc1cncc(C(=O)NC[C@@H]2CCCN(CC(N)=O)C2)c1 1023583737 NYWOKRPOZHJCOI-ZDUSSCGKSA-N 300.362 -0.010 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)C2(C)CCOCC2)C1 1024676347 QDRAGEBYLIDRJM-QJPTWQEYSA-N 309.366 -0.349 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnco2)C1 1024848912 FNPLCUIXRPDERC-KKOKHZNYSA-N 321.333 -0.433 30 20 DBED N#Cc1cc(C(=O)N[C@H]2C[C@@H](NC(=O)C(N)=O)C23CCC3)c[nH]1 1025903385 CPFDZFOSSRVMCF-WDEREUQCSA-N 315.333 -0.471 30 20 DBED C#CCN(C)[C@@H]1CCCN(C(=O)CCc2nnc(O)nc2O)C1 1027477584 JRPBMVMGBPCUTO-LLVKDONJSA-N 319.365 -0.229 30 20 DBED N#Cc1cc(C(=O)NC2CN(Cc3nnnn3C3CC3)C2)c[nH]1 1030235803 GSRIBQRYUMSTCG-UHFFFAOYSA-N 312.337 -0.178 30 20 DBED C#CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1 1032625067 DWVHUXZQCFXEIE-XDQVBPFNSA-N 305.378 -0.460 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)c2c[nH]nc2S(N)(=O)=O)C1 1033408896 DWDJNHUTQBABIL-SECBINFHSA-N 313.383 -0.611 30 20 DBED CN1CC(=O)N(CC(=O)N[C@H]2CC[C@H](NCC#N)CC2)C1=O 1034789447 XYGYZPGKKAFIAN-XYPYZODXSA-N 307.354 -0.579 30 20 DBED C#CCN1CCO[C@H](CNC(=O)[C@@H]2CC(=O)N(C(C)C)C2)C1 1035389727 GALFNYPOVOYXPS-ZIAGYGMSSA-N 307.394 -0.307 30 20 DBED C#CCCN1CCO[C@H](CNC(=O)c2cc(OC)n(C)n2)C1 1035437388 FCWAPQFZABKUKY-GFCCVEGCSA-N 306.366 -0.117 30 20 DBED N#CCN1CCO[C@@H](CNC(=O)c2ccc3nnnn3c2)C1 1035444295 PBJBUVXKGQCQCK-NSHDSACASA-N 301.310 -0.922 30 20 DBED CC#CCN1CCO[C@H](CNC(=O)c2cncc(C(N)=O)c2)C1 1035614214 OQRBUDDCRYWPBP-CQSZACIVSA-N 316.361 -0.366 30 20 DBED CC(C)C#CC(=O)NC[C@]1(O)CCN(C(=O)c2cnsn2)C1 1039664763 XDMRWBXOCCZAQJ-CQSZACIVSA-N 322.390 -0.109 30 20 DBED CC(C)(C)C#CC(=O)NC[C@@]1(O)CCN(C(=O)c2cnon2)C1 1039691888 KOYAFEXNFCIEOG-HNNXBMFYSA-N 320.349 -0.188 30 20 DBED C[C@H]1[C@@H](Nc2ccc(C#N)nn2)CCN1C(=O)[C@@H]1COC(=O)N1 1040112209 DDOQOFHTODNOMU-LSJOCFKGSA-N 316.321 -0.142 30 20 DBED C[C@H]1[C@@H](Nc2cnc(C#N)cn2)CCN1C(=O)[C@H]1CNC(=O)N1 1040234959 XWTAAAYMWZLQHB-INTQDDNPSA-N 315.337 -0.569 30 20 DBED C#CCN1CC[C@@]2(CCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C2)C1 1041718729 ZOFJBFFVRDXKFK-XHDPSFHLSA-N 304.350 -0.858 30 20 DBED C=CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)c2ncoc2C)C1 1041818624 RCIYXISTAGJZRH-LLVKDONJSA-N 323.349 -0.123 30 20 DBED C=CCCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2cnn[nH]2)C1 1041870216 RAWXGOLZQJCFSC-JTQLQIEISA-N 323.353 -0.911 30 20 DBED COc1cc(C(=O)NCC2(O)CN(C(=O)C#CC3CC3)C2)on1 1042687729 CXZKZQFRPYUGIL-UHFFFAOYSA-N 319.317 -0.600 30 20 DBED O=C(C#CC1CC1)NCC1(O)CN(C(=O)c2nccs2)C1 1042960025 BLKHQNKJWYZRQN-UHFFFAOYSA-N 305.359 -0.140 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)C2=CCCC2)C1 1043032408 AKWNVINDNUNXOB-UHFFFAOYSA-N 306.362 -0.174 30 20 DBED C=C(C)CCC(=O)NCC1(O)CN(C(=O)c2cn(C)nn2)C1 1043310491 INDJQZLSCIDOKZ-UHFFFAOYSA-N 307.354 -0.526 30 20 DBED C=CCn1cc(C(=O)N(C)C2CN([C@H](C)C(=O)NC)C2)nn1 1044022042 BNUBWLNWCKKVFO-SNVBAGLBSA-N 306.370 -0.645 30 20 DBED C=C(C)C(C)(C)C(=O)N1CC(O)(CNC(=O)c2cnon2)C1 1045196746 CQXRAKAZXDPJTB-UHFFFAOYSA-N 308.338 -0.025 30 20 DBED C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cn(C)c(=O)nc1O 1049883728 BSPDZPRRGRWBTR-QWHCGFSZSA-N 316.361 -0.202 30 20 DBED C#CCOCCC(=O)N1CC[C@@H]([C@@H](C)NC(=O)CNC(N)=O)C1 1050728012 IOQIXQJUJITSMI-VXGBXAGGSA-N 324.381 -0.952 30 20 DBED C=CCn1cccc1C(=O)NC[C@@H]1COCCN1CC(N)=O 1050957501 HXOCWLMCCPCOLS-GFCCVEGCSA-N 306.366 -0.410 30 20 DBED N#CCN1CCOC[C@@H]1CNC(=O)c1ccn2nnnc2c1 1051059797 HPLWZSQJLMDTER-NSHDSACASA-N 301.310 -0.922 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)c1ccn2nnnc2c1 1051062585 XDLUPZKLEXCPRN-LBPRGKRZSA-N 300.322 -0.812 30 20 DBED C#CCCN1CCOC[C@H]1CNC(=O)[C@H]1CCCC(=O)N1C 1051228982 STHRILGKJCYSDZ-ZIAGYGMSSA-N 307.394 -0.162 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)c1cccc(C(N)=O)n1 1051263556 FHIZJVPWIUTVFG-NSHDSACASA-N 302.334 -0.756 30 20 DBED N#CCN1CCN([C@H]2CCN(C(=O)Cn3nccn3)C2)CC1 1052033354 QEWQJOXOGRBEPM-ZDUSSCGKSA-N 303.370 -0.980 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1CCCN(CC(N)=O)CC1 1052456958 MDXPPRJDWJDWDF-KBPBESRZSA-N 306.410 -0.460 30 20 DBED C=C(C)CN1CC2(C1)CN(C(=O)CN1CCCNC1=O)CCO2 1053327532 MYUQGFIEHSYTNW-UHFFFAOYSA-N 322.409 -0.109 30 20 DBED C#CCCN1CC2(CC[C@H](CNC(=O)[C@@H]3CCNC(=O)C3)O2)C1 1053590827 QLXXUURRJMFRON-ZIAGYGMSSA-N 319.405 -0.115 30 20 DBED CC(C)N1CCO[C@H](C(=O)N[C@@H]2COC3(C2)CN(CC#N)C3)C1 1053904052 DTRHZEPXFXRNRT-KBPBESRZSA-N 322.409 -0.421 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2COC3(C2)CN(C[C@@H](C)O)C3)nn1 1053949388 GDTPOWGFVLBYEH-NEPJUHHUSA-N 321.381 -0.582 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)CSCC#N 1057194036 XOTUCLINGZDEET-UHFFFAOYSA-N 315.395 -0.617 30 20 DBED CC#CCCCC(=O)NCCN(CCO)C(=O)[C@H]1CCC(=O)N1 1057204374 WAVZSMQIECLAQL-CYBMUJFWSA-N 323.393 -0.604 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)[C@]1(C)CNC(=O)C1 1057447027 NMVYPCQBQMBFBK-INIZCTEOSA-N 323.393 -0.747 30 20 DBED CC(C)(C)C#CC(=O)N(CCO)CCNC(=O)Cc1cc[nH]n1 1057539217 RVMJXEGHAVGXJG-UHFFFAOYSA-N 320.393 -0.061 30 20 DBED C#CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)c1cnccn1 1057583125 HQLCSRPWNMFVRC-LBPRGKRZSA-N 320.349 -0.934 30 20 DBED CCc1ncncc1C(=O)N(CCO)CCNC(=O)[C@H](C)C#N 1057648874 MFLIHZBJKSABBQ-LLVKDONJSA-N 319.365 -0.251 30 20 DBED N#Cc1cncc(N[C@@H]2CCCN(C(=O)[C@@H]3CNC(=O)N3)C2)n1 1057748415 KDIHMNKUCIGSNQ-KOLCDFICSA-N 315.337 -0.567 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)CCCN1CCCC1 1057859215 VFIZHEIVTMGASF-CQSZACIVSA-N 324.425 -0.041 30 20 DBED N#Cc1ccc(N2CC[C@@H](NC(=O)C3CS(=O)(=O)C3)C2)nc1 1058456022 CUFLEEFFDCEDCJ-GFCCVEGCSA-N 320.374 -0.307 30 20 DBED Cc1cc(C#N)nc(N[C@H]2C[C@@H](NC(=O)[C@@H]3COC(=O)N3)C2)n1 1059625256 PFFJMAMGXFCHGO-NGZCFLSTSA-N 316.321 -0.176 30 20 DBED C#CCOCCC(=O)NCC[C@H]1CCN(C(=O)c2nc[nH]n2)C1 1060112614 ZTLDPZZXHGUUDI-LBPRGKRZSA-N 319.365 -0.187 30 20 DBED COCCC(=O)NC[C@H]1COCCN1C(=O)c1ccc(C#N)[nH]1 1061159824 AGQLNQNINSGCOK-LBPRGKRZSA-N 320.349 -0.120 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)CCCC(N)=O 1061852566 JWKKKMXIJLMXFO-GHMZBOCLSA-N 310.354 -0.855 30 20 DBED C#Cc1ccc(C(=O)NC2(CNC(=O)CC(N)=O)CCC2)cn1 1062733808 SPIUEYQRNYHSOL-UHFFFAOYSA-N 314.345 -0.293 30 20 DBED Cn1nnc(C(=O)N2CCC[C@@H]2CN=c2cc[nH]cc2C#N)n1 1063544538 TWVBOHHERSATQM-LLVKDONJSA-N 312.337 -0.385 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)[C@@H]2CN(C)C(=O)N2)CCC1 1064311124 XXLBJQBIPCIGOI-ZJUUUORDSA-N 307.354 -0.675 30 20 DBED C[C@@H]1CN(C(=O)Cn2cncn2)C[C@@H]1N=c1cc[nH]cc1C#N 1067098229 DSWRUTDVDLHXAM-RISCZKNCSA-N 311.349 -0.074 30 20 DBED C=CCCOCC(=O)N(C)CCCN(C)C(=O)Cn1ncnn1 1067486299 HLOGOEAUGVCSSF-UHFFFAOYSA-N 324.385 -0.427 30 20 DBED C[C@@H](C#N)C(=O)N1Cc2ccccc2C[C@@H]1CNC(=O)C(N)=O 1069684378 NYTIJTVJXXPGII-GXFFZTMASA-N 314.345 -0.299 30 20 DBED CC#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H]2CCCO2)C1 1069892979 ZLNNJMSITWRVPG-HZSPNIEDSA-N 303.366 -0.178 30 20 DBED C[C@]1(C(=O)N2C[C@H]3C[C@@H]4CN(CC#N)C[C@]3(C2)O4)CNC(=O)C1 1070828115 IRDHJYNTYVEFLY-CZPYZCIJSA-N 318.377 -0.662 30 20 DBED C#Cc1ccc(C(=O)N2C[C@H](C)[C@@H](NC(=O)CC(N)=O)C2)cn1 1072468352 SXGZMGOAXXXZBQ-GWCFXTLKSA-N 314.345 -0.485 30 20 DBED C#CCCN1CCO[C@@H]2CCN(C(=O)Cn3cncn3)C[C@H]21 1074400954 XKDLAZDFISOMPL-ZIAGYGMSSA-N 303.366 -0.397 30 20 DBED C[C@@H](CCNC(=O)c1c[nH]c(C#N)c1)NC(=O)[C@@H]1CCC(=O)N1 1076216958 WKEKSMQYBBCURF-CABZTGNLSA-N 317.349 -0.210 30 20 DBED C[C@@H](CCNC(=O)C#CC1CC1)NC(=O)C[C@@H](C)NC(N)=O 1076427945 VXTZVSGRSGOYSJ-WDEREUQCSA-N 308.382 -0.142 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC(=O)N(CC)C2)C1 1077086064 KPPGPQURUNZXSE-MGPQQGTHSA-N 309.410 -0.018 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)Cn2ncc3cccnc32)C1 1077409642 CPMVRPUTWFVGIA-ZIAGYGMSSA-N 313.361 -0.384 30 20 DBED Cc1noc2ncc(C(=O)N[C@@H]3CN(CC#N)C[C@H]3O)cc12 1077484074 LDVHCUUEOLVKTB-VXGBXAGGSA-N 301.306 -0.170 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2cc(-n3ccnc3)ccn2)C1 1077940350 WUQFXOQFZNMPDG-HUUCEWRRSA-N 311.345 -0.325 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(N(CC)C(=O)CC(N)=O)C1 1079531899 GAGFJYNWDXRIMC-WFASDCNBSA-N 323.393 -0.098 30 20 DBED CCN(C(=O)C#CC1CC1)C1CN(C(=O)C2(C(N)=O)CC2)C1 1079739309 OUYJPCGFZQQHOZ-UHFFFAOYSA-N 303.362 -0.275 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)CC(=O)NCC)C[C@@H]1O 1081335429 LEKPPUPEFBLBBL-RYUDHWBXSA-N 311.382 -0.586 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)Cc2cnc[nH]2)C[C@H]1O 1081347671 YVQYKJQBZUPPKJ-DGCLKSJQSA-N 322.365 -0.910 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)c2cnon2)C[C@@H]1O 1081439237 NRPKQYJLAYBTAI-JQWIXIFHSA-N 306.322 -0.578 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)CN2CCCC2)C[C@H]1O 1081465245 DHJVDVVTTGDMKN-HUUCEWRRSA-N 321.421 -0.323 30 20 DBED C=CCCOCC(=O)NC[C@H]1CN(C(=O)c2cnon2)C[C@@H]1O 1081569994 WNYUOZSSWYKQKR-JQWIXIFHSA-N 324.337 -0.789 30 20 DBED CN(C)CCCC(=O)NC[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 1081701675 YVUDDJRTZLGLAM-GJZGRUSLSA-N 321.421 -0.323 30 20 DBED C=CCCCC(=O)NC[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1O 1081704382 CHVLLVVIFHBCFZ-MNOVXSKESA-N 307.354 -0.290 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN(Cc3cnnn3C)C[C@@H]2O)C1 1083756355 PWJATHDQOJPVPT-OLZOCXBDSA-N 305.382 -0.167 30 20 DBED COC(=O)NCC(=O)N[C@H](C)C[C@H](C)N=c1cc[nH]c(C#N)n1 1089245005 UKAGFFPPBIFGQN-VHSXEESVSA-N 320.353 -0.179 30 20 DBED N#CCN1C[C@H]2[C@H]3CC[C@@H]([C@H]2C1)N(C(=O)C1(C(N)=O)CC1)C3 1089859648 RGITYFJZPQAGFZ-CYDGBPFRSA-N 302.378 -0.056 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2cnc(N(C)C)cn2)[C@H](O)C1 1090270000 VGQODGUPQHZDSQ-TZMCWYRMSA-N 317.393 -0.269 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2cnn3c2OCCC3)[C@H](O)C1 1090396272 IHPHYEMYBQNZTJ-CHWSQXEVSA-N 304.350 -0.536 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2cn(C)ccc2=O)[C@@H](O)C1 1090419067 DDGZZJRBNAKPNT-HIFRSBDPSA-N 303.362 -0.426 30 20 DBED CC#CCN1CC[C@H](NC(=O)Cc2cc(C)nn2C)[C@H](O)C1 1090427697 NVPDKUVZDHBSSE-LSDHHAIUSA-N 304.394 -0.154 30 20 DBED CC#CCN1CC[C@H](NC(=O)Cc2ccc(O)nc2)[C@H](O)C1 1090441047 IQDFTGCKKFLXER-UONOGXRCSA-N 303.362 -0.096 30 20 DBED C=CCCn1cc(C(=O)N[C@@H]2CCN(CCOC)C[C@@H]2O)nn1 1090638116 OCGUSVAKIZFHBN-OCCSQVGLSA-N 323.397 -0.334 30 20 DBED C=CCN1CC[C@H](NC(=O)c2nc3ncccn3n2)[C@H](O)C1 1090664133 PPCXKBLUELQVAW-WDEREUQCSA-N 302.338 -0.525 30 20 DBED C=C(C)CN1C[C@@H]2CN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C[C@]2(C)C1 1092055459 KVMBXUXVEWLTNM-WQGACYEGSA-N 320.393 -0.059 30 20 DBED C=CCN1C[C@@H]2CN(C(=O)CC[C@H]3NC(=O)NC3=O)C[C@]2(C)C1 1092259721 MIBNWVKIXZPVEK-HSMVNMDESA-N 320.393 -0.059 30 20 DBED CS(=O)(=O)CCC(=O)N1CCN(c2nccnc2C#N)CC1 1093206177 VMBFKGHVHDCEGA-UHFFFAOYSA-N 323.378 -0.568 30 20 DBED CCn1ccnc1C(=O)NCc1cn(C2CN(CC#N)C2)nn1 1094287934 WRHNJNFWMKASKT-UHFFFAOYSA-N 314.353 -0.195 30 20 DBED C#CCCN1CC(n2cc(CNC(=O)c3cnnn3C)nn2)C1 1094288082 FFHYXLVPVCDBRL-UHFFFAOYSA-N 314.353 -0.783 30 20 DBED C#CCCN1CC(N2C[C@@H](NC(=O)c3ccnnc3)CC2=O)C1 1094789277 YVXZPBMUFGWNLA-ZDUSSCGKSA-N 313.361 -0.485 30 20 DBED COC(=O)NCC(=O)N1CC[C@H](N(C)c2ccnc(C#N)n2)C1 1095092323 BGWMOOCLQHJETP-JTQLQIEISA-N 318.337 -0.259 30 20 DBED CN(CCCNC(=O)[C@@H]1CC[C@@H]1C(N)=O)c1cnc(C#N)cn1 1095697089 WKIANECSQSAXFM-NWDGAFQWSA-N 316.365 -0.198 30 20 DBED COCC(=O)N[C@H](C)C(=O)NC[C@@H](C)Nc1ccc(C#N)nn1 1098341858 HINSHFTXODAVIG-NXEZZACHSA-N 320.353 -0.584 30 20 DBED C#CCCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H]1COCCN1C(C)=O 1098441913 ZRCLTYUWPHSWST-WCVJEAGWSA-N 319.405 -0.022 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2cc(C)[nH]n2)[C@@H](O)C1 1099709010 AOWSYMACAIJSIG-JSGCOSHPSA-N 306.366 -0.467 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(Cc2nnc(CC)o2)C[C@H]1O 1099740401 CNGZYXVYMWCBFS-VXGBXAGGSA-N 324.381 -0.114 30 20 DBED C=CCCCC(=O)N[C@@H]1CCN(Cc2nnn(C)n2)C[C@@H]1O 1099975377 AVPKXSAHYSJTCH-NEPJUHHUSA-N 308.386 -0.382 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)c2nc(C)c[nH]2)[C@@H](O)C1 1100029534 POKHGLZZLKWIKA-NEPJUHHUSA-N 321.381 -0.815 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)C2(C(=O)N(C)C)CC2)[C@H](O)C1 1100072032 OCFYNTLIMMVBDH-CHWSQXEVSA-N 309.410 -0.018 30 20 DBED C#CCN1CC[C@@H](NC(=O)CNC(=O)C(CC)CC)[C@H](O)C1 1100148790 UMFZAWLEIZSJCG-ZIAGYGMSSA-N 309.410 -0.277 30 20 DBED C=CCNC(=O)CNC1CC(CNC(=O)[C@@H]2CC(=O)N(C)C2)C1 1100378300 VEVKAKURAADKMX-OTTFEQOBSA-N 322.409 -0.749 30 20 DBED COCC#CCNC1CC(CNC(=O)CN2CCCNC2=O)C1 1100478316 MMRFTBIEXHDHBR-UHFFFAOYSA-N 322.409 -0.464 30 20 DBED CCN(CCNC(=O)[C@H](COC)OC)c1cnc(C#N)cn1 1100712446 TZXQFGXEPWCOQM-LBPRGKRZSA-N 307.354 -0.048 30 20 DBED N#Cc1nccnc1N(CCNC(=O)[C@@H]1CNC(=O)N1)C1CC1 1101432494 BYPQIXOAPQQJAF-NSHDSACASA-N 315.337 -0.885 30 20 DBED CCc1nc(C#N)cc(N(CCNC(=O)C(N)=O)C2CC2)n1 1101443519 JCCKZBPIIGYZKS-UHFFFAOYSA-N 302.338 -0.519 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)CCCOC)C1 1101761985 XJMNZOXNHIRLGB-ZIAGYGMSSA-N 309.410 -0.154 30 20 DBED COCC#CCN1C[C@@H](C)[C@H](CNC(=O)[C@@H]2CC(=O)N(C)C2)C1 1102014224 RAZJGAMJGWRQGD-RBSFLKMASA-N 321.421 -0.201 30 20 DBED C=CCN1C[C@@H](C)[C@H](CNC(=O)CC[C@H]2NC(=O)NC2=O)C1 1102563161 MBKDJRZEDWKXRF-IJLUTSLNSA-N 308.382 -0.155 30 20 DBED C[C@H](CN=c1cc[nH]cc1C#N)CNC(=O)CS(C)(=O)=O 1103868282 IBQNDQNPWIRRCN-SNVBAGLBSA-N 310.379 -0.416 30 20 DBED C#CCNCC[C@@H]1CN(C(=O)c2cn(C)c(=O)nc2O)C[C@H]1C 1105007787 WLPQKZYZBWCNLO-VXGBXAGGSA-N 318.377 -0.193 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(n2cc(CNC[C@@H](C)O)nn2)C1 1105227780 YRIXDSRDHBXJDL-IAQYHMDHSA-N 323.397 -0.541 30 20 DBED CN(CCN(C)c1nccn2nnnc12)C(=O)CSCC#N 1105329351 AXSLPNURSWKYBS-UHFFFAOYSA-N 320.382 -0.329 30 20 DBED Cc1nccc(C(=O)N2CC(n3cc(CNCC#N)nn3)C2)n1 1105374019 BDSYYGFUZXNIPG-UHFFFAOYSA-N 312.337 -0.313 30 20 DBED C[C@@H](CC(N)=O)C(=O)N(C)CCN(C)c1ccnc(C#N)n1 1105521638 PBYGQFOOTPYGQS-JTQLQIEISA-N 304.354 -0.246 30 20 DBED N#Cc1cnc(NC[C@@H](O)CNC(=O)c2ccc(O)nn2)cn1 1105734930 HFTUCJYATJGGHP-SECBINFHSA-N 315.293 -0.953 30 20 DBED COC(=O)c1cnc(NC[C@H](O)CNC(=O)[C@@H](C)C#N)nc1 1105773729 MHIXQSRMEIXCAC-WCBMZHEXSA-N 307.310 -0.688 30 20 DBED N#Cc1nc(=NC[C@H](O)CNC(=O)c2ncccc2O)cc[nH]1 1105802463 NPYSJJUVVHFBPR-VIFPVBQESA-N 314.305 -0.926 30 20 DBED C#CCOCCC(=O)NC[C@@H](O)CNc1cc(OCC)ncn1 1105967341 ZQJJCIRXEMVRKZ-LBPRGKRZSA-N 322.365 -0.196 30 20 DBED C[C@@H](CCNc1ccc(C#N)nn1)NC(=O)Cn1cnnc1O 1106287292 IKBUJKDAHDDXFI-VIFPVBQESA-N 316.325 -0.348 30 20 DBED C=C(C)CN(CC)C(=O)CNC[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C 1106612738 LPFJKJYLZWSJPA-CHWSQXEVSA-N 324.425 -0.420 30 20 DBED CCN(CCNc1nccnc1C#N)C(=O)[C@H]1CNC(=O)N1 1106927952 CHTHQHOIBARRRK-SNVBAGLBSA-N 303.326 -0.710 30 20 DBED CC(=O)N1CC(C(=O)NC/C=C\CNc2cnc(C#N)cn2)C1 1107168119 BTELBJQEMQYPEL-IHWYPQMZSA-N 314.349 -0.089 30 20 DBED N#Cc1nc(=NC/C=C\CNC(=O)Cn2ccccc2=O)cc[nH]1 1107193207 KRNZOZLDGQNMCT-IHWYPQMZSA-N 324.344 -0.284 30 20 DBED C#CCN1CC(n2cc(CNC(=O)[C@@H](C)OCC=C)nn2)C1 1107241516 XMOARQLMGHICHS-GFCCVEGCSA-N 303.366 -0.025 30 20 DBED CN1C[C@H](C(=O)NC/C=C\CNc2cnc(C#N)cn2)CC1=O 1107569032 VDNRUIFZTKKXCF-OTDNITJGSA-N 314.349 -0.089 30 20 DBED C[C@@H](C(=O)NC[C@@]1(C)CN(CC#N)CCO1)N1C(=O)CCC1=O 1107982829 DEJFFHYONVQWGM-NHYWBVRUSA-N 322.365 -0.745 30 20 DBED C[C@H](CNc1nccnc1C#N)NC(=O)CC1CS(=O)(=O)C1 1107995642 KTYOLVUPIDFNOD-SECBINFHSA-N 323.378 -0.300 30 20 DBED CCS(=O)(=O)CC(=O)N[C@@H](C)CNc1cnc(C#N)cn1 1108411088 VXPSNCOUTZFRLM-VIFPVBQESA-N 311.367 -0.300 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)c2ccc(C(N)=O)nc2)C1 1108439170 CKWBWFGEEWJJQE-INIZCTEOSA-N 316.361 -0.366 30 20 DBED CCCC(=O)N[C@@H]1CC(=O)N(C2CN(CC#CCOC)C2)C1 1108498595 MGGKGUCMFQHKJV-CYBMUJFWSA-N 307.394 -0.162 30 20 DBED C[C@@H](CN(C)c1ncnc2c1nnn2C)NC(=O)[C@@H](C)C#N 1108880166 NYVZWEBMUGQNAD-IUCAKERBSA-N 302.342 -0.141 30 20 DBED CC(=O)N1CC(C(=O)N[C@H](C)CN(C)c2cnc(C#N)cn2)C1 1108917789 OELKIOMMSXGFNU-SNVBAGLBSA-N 316.365 -0.233 30 20 DBED C[C@@H](CN(C)c1ncccc1C#N)NC(=O)Cn1ncnn1 1109116639 KVVDJUBLRYAYAC-JTQLQIEISA-N 300.326 -0.419 30 20 DBED CN(CCCN=c1cc[nH]cc1C#N)C(=O)[C@@H]1CNC(=O)N1 1109599113 YJABLMFKHPJLLZ-LBPRGKRZSA-N 302.338 -0.683 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1[C@H]2C[C@H]1N(c1ccncc1C#N)C2 1109704089 LOBGKZDDXJPRTJ-FABXCBLPSA-N 323.356 -0.214 30 20 DBED CCS(=O)(=O)CC(=O)NCC1(Nc2ccnc(C#N)n2)CC1 1110157872 XZLVKENHGFYZFD-UHFFFAOYSA-N 323.378 -0.156 30 20 DBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCN(C)C 1110976388 KYQAJEFPKMTWDR-MCIONIFRSA-N 308.426 -0.038 30 20 DBED COCCCC(=O)N(C)[C@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1111172146 NDHCKEUCQZPNNW-STQMWFEESA-N 319.365 -0.217 30 20 DBED C=CCCC(=O)NC[C@H]1COCCN1c1nccn2nnnc12 1111673343 FEYRIFGPNBLXLZ-NSHDSACASA-N 317.353 -0.193 30 20 DBED CN(CCCN(C)c1ccc(C#N)nn1)C(=O)[C@@H]1COC(=O)N1 1112075153 NGRIOHSWQYNCTN-NSHDSACASA-N 318.337 -0.259 30 20 DBED CC(C)(O)CC(=O)NC[C@@H]1CN(c2nccnc2C#N)C[C@H]1O 1112717844 PNVLCAMEJYPCDR-ZYHUDNBSSA-N 319.365 -0.577 30 20 DBED N#Cc1nccc(N2C[C@@H](O)[C@H](CNC(=O)C#CC3CC3)C2)n1 1112720906 REXBXMHIMFCJES-CHWSQXEVSA-N 311.345 -0.325 30 20 DBED C#CCNC(=O)CC(=O)N1CCN(CC2CCOCC2)CC1 1112779231 PZIDEUVSFRAHGO-UHFFFAOYSA-N 307.394 -0.303 30 20 DBED CCC(=O)NCC(=O)NC[C@H](C)N(C)c1ccnc(C#N)n1 1113537346 LZNUSAACGSWWBB-JTQLQIEISA-N 304.354 -0.185 30 20 DBED C[C@@H](CNC(=O)C(=O)NCC1CC1)N(C)c1ccc(C#N)nn1 1113692088 LYZOEVCIFJIRGQ-JTQLQIEISA-N 316.365 -0.185 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@H]2CN(Cc3nncs3)C[C@H]12 1114159528 HCADFXLSYYOEGI-UWVGGRQHSA-N 319.390 -0.776 30 20 DBED Cc1cnn(C)c1C(=O)NC1[C@H]2CN(CC(=O)NCC#N)C[C@H]12 1114708021 SXSQBNXWXIUUGI-QWRGUYRKSA-N 316.365 -0.972 30 20 DBED C[C@H](CCCN=c1cc[nH]c(C#N)n1)NC(=O)Cn1nccn1 1115004469 NTLMGYAGEFHWQY-LLVKDONJSA-N 314.353 -0.241 30 20 DBED C=CCCOCC(=O)NC1[C@@H]2CN([C@@H](C)c3nnnn3C)C[C@@H]12 1115330775 SWMNIGFARKLLNP-QJPTWQEYSA-N 320.397 -0.090 30 20 DBED C[C@]1(C#N)CCCN(C(=O)C(=O)NC[C@H]2CC[C@H](C(N)=O)O2)C1 1117605074 GMBKHZHUJZEWDQ-UEKVPHQBSA-N 322.365 -0.712 30 20 DBED COC[C@H]1C[C@@H](O)CN1C(=O)C(=O)Nc1ccc(C#N)cn1 1118246112 NNCZNUNGGNLTNP-GHMZBOCLSA-N 304.306 -0.500 30 20 DBED N#Cc1nc(=N[C@@H](CO)CNC(=O)Cc2ccsc2)cc[nH]1 1121151054 UDXXZIDIPWBPPS-LLVKDONJSA-N 317.374 -0.037 30 20 DBED N#Cc1cnc(N[C@H](CO)CNC(=O)Cc2cc[nH]n2)c(F)c1 1121398293 GYGSMHFBKFJBLK-NSHDSACASA-N 318.312 -0.053 30 20 DBED Cc1nc[nH]c1C(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1 1121724627 RWYWAWMHPLBIMH-SECBINFHSA-N 301.310 -0.996 30 20 DBED Cc1ncn(C)c1C(=O)NC[C@@H](CO)Nc1cnc(C#N)cn1 1122148816 ZKPTYALYNFAZPR-NSHDSACASA-N 315.337 -0.407 30 20 DBED Cc1cc(=N[C@@H](CO)CNC(=O)c2n[nH]cc2F)c(C#N)c[nH]1 1122493839 JBAZVOXXJSGXAQ-SNVBAGLBSA-N 318.312 -0.251 30 20 DBED CC[C@@H](NC(C)=O)C(=O)NC[C@@H](CO)Nc1ncccc1C#N 1122644939 QXYCZFIYPQSVKK-QWHCGFSZSA-N 319.365 -0.243 30 20 DBED N#Cc1nccnc1N[C@@H](CO)CNC(=O)Cc1cscn1 1122653237 ZYKKCSMWJYSRIV-SNVBAGLBSA-N 318.362 -0.064 30 20 DBED COCC[C@H](C)C(=O)N(C)C[C@@H](O)CN=c1cc[nH]c(C#N)n1 1124363927 AJLAUYPORDHWQC-RYUDHWBXSA-N 321.381 -0.326 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1cc(OC)ns1 1127617490 ATRWJLDQEUVRHW-SECBINFHSA-N 310.379 -0.391 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@@H]1CCCCN1C(=O)CC 1128019365 OOBKVRVNTQMDNR-ZDUSSCGKSA-N 324.425 -0.215 30 20 DBED C=CCOCC(=O)NCc1c[nH]nc1[C@@H]1CCN(CC(N)=O)C1 1130368613 POAKEHYBTVHPHO-LLVKDONJSA-N 321.381 -0.497 30 20 DBED CNC(=O)CC(=O)NCc1c[nH]nc1[C@@H]1CCN(CC#N)C1 1130380845 KHMOCBNMNJNSHB-SNVBAGLBSA-N 304.354 -0.525 30 20 DBED C#CCN[C@@H]1CN(C(=O)CC(=O)NC)C[C@H]1c1cncn1C 1130967075 MRVPKEGZNGSOML-VXGBXAGGSA-N 303.366 -0.927 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)CCc1nccn1C 1131655782 BQFQSOOQWQBCPN-GFCCVEGCSA-N 305.382 -0.804 30 20 DBED C#CCNC(=O)CN1C[C@H](NC(=O)CCOCC#C)CC[C@@H]1C 1132029748 PETYHZODNDSLSI-LSDHHAIUSA-N 319.405 -0.255 30 20 DBED C=CCNC[C@@H]1CN(C(=O)CS(=O)(=O)NC)CC[C@H]1C 1133333449 HPMRYFHDJKJRKW-VXGBXAGGSA-N 303.428 -0.204 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)CNC(=O)CC 1133946037 QBGRWZDMXNUJBX-NEPJUHHUSA-N 310.398 -0.865 30 20 DBED C=CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)C1CN(C(C)=O)C1 1134240616 TWICVRYAEBWWMN-NEPJUHHUSA-N 324.425 -0.360 30 20 DBED CC#CCN[C@H](C)C[C@H](C)NC(=O)CN1CCN(C)C(=O)C1 1134787221 JAXIPTJBNYPHAM-KGLIPLIRSA-N 308.426 -0.343 30 20 DBED N#Cc1ccc(CNCCNC(=O)CN2CC(=O)NC2=O)s1 1135440219 IFGDNJGRKOUUMY-UHFFFAOYSA-N 321.362 -0.623 30 20 DBED C=CCNC(=O)CNCCNC(=O)COC1CCN(C)CC1 1135960120 ZJJMBOXJZCNJKS-UHFFFAOYSA-N 312.414 -0.895 30 20 DBED C#CCCN1CCC2(C1)CN(C(=O)COCc1ncnn1C)C2 1148524795 UYMDYCKTRHOLMX-UHFFFAOYSA-N 317.393 -0.111 30 20 DBED CC#CCN1CCCO[C@H](CNC(=O)CCc2cnn[nH]2)C1 1150351444 ZIUUJYCOBXGPLZ-CQSZACIVSA-N 305.382 -0.032 30 20 DBED C#CCCN(CC)[C@H](C)CNC(=O)Cn1cnc(C(N)=O)n1 1153445361 DNEDPAFETMBTRU-LLVKDONJSA-N 306.370 -0.773 30 20 DBED CC(C)(C)n1cc(C(=O)NCCCNCC(=O)NCC#N)nn1 1159493107 NQYYSPNCIBENOY-UHFFFAOYSA-N 321.385 -0.618 30 20 DBED N#CCN1CC=C(CCNC(=O)CN2CC(=O)NC2=O)CC1 1161485875 ZQMSBKVJUSLZRH-UHFFFAOYSA-N 305.338 -0.800 30 20 DBED COCC#CCNCCCNC(=O)[C@H]1CCc2nnc(C)n2C1 1176827563 WPLUOFLJIGUNEO-AWEZNQCLSA-N 319.409 -0.105 30 20 DBED C#CCCCC(=O)N1CC[C@@H]2OCCN(CC(=O)NC)[C@H]2C1 1177006172 MGCFTUDFKRRZGY-KBPBESRZSA-N 307.394 -0.162 30 20 DBED C=CCO[C@H](C)C(=O)NCCCN[C@@H](C)C(=O)NC(=O)NC 1177277104 MCTFNVHGTDSFHJ-WDEREUQCSA-N 314.386 -0.483 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2cccc(O)n2)[C@H]1C 1178428164 YTZWBWSJDIVWHM-RYUDHWBXSA-N 316.361 -0.271 30 20 DBED C#CCNCCCCCCNC(=O)CS(=O)(=O)CCOC 1178841034 NRMDIKPNFZSHLV-UHFFFAOYSA-N 318.439 -0.053 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](N[C@@H](C)C(=O)NC(=O)NC)C1 1182521969 FURXRNLXYXIXMV-NWDGAFQWSA-N 324.381 -0.939 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2cn(C)c(O)n2)C1 1185415629 BOEUYELRKGGTOO-WDEREUQCSA-N 319.365 -0.932 30 20 DBED C#CCCN[C@@H]1CCN(C(=O)CN(C)S(=O)(=O)CC)C1 1186695319 PGQQRHXUTZRGMY-GFCCVEGCSA-N 301.412 -0.518 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 1189564741 GGUVHBPDEIFIMY-CYBMUJFWSA-N 313.361 -0.218 30 20 DBED CNC(=O)NC(=O)[C@@H](C)N(C)[C@H]1CCN(C(=O)C#CC2CC2)C1 1190076298 OJTLWNQZHNJJDS-YPMHNXCESA-N 320.393 -0.223 30 20 DBED CCn1cc(CCN2C[C@@H](O)[C@H](NC(=O)[C@@H](C)C#N)C2)cn1 1191873006 PMUHQTIKNZLSBL-IACUBPJLSA-N 305.382 -0.234 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)CCNC(=O)c2ccsc2)C1 1193934694 JKOSHZMUOBLQTF-CHWSQXEVSA-N 321.402 -0.338 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@H]1CCN(C(=O)Cn2ccnc2)C1 1194461148 WDIZTAPOEAJXMF-KBPBESRZSA-N 317.393 -0.446 30 20 DBED C=CCC(C)(C)C(=O)N[C@@H]1CN(CC(=O)N2CCC2)C[C@H]1O 1196469712 ZVDCLYHBGTWXPI-CHWSQXEVSA-N 309.410 -0.018 30 20 DBED C[C@@H]1CC[C@H](C(=O)N2CCCN(CC(=O)NCC#N)CC2)O1 1197203339 PJWPVNPCVIAUBW-CHWSQXEVSA-N 308.382 -0.272 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(CCOCCOC)C[C@H]1O 1199292453 LAPGVSCFTPQOEI-ZIAGYGMSSA-N 316.398 -0.597 30 20 DBED CC#CCNC[C@H]1CN(C(=O)[C@H]2CN(C)C(=O)N2)CCCO1 1201156685 ZGTJLBLHFKTNRX-QWHCGFSZSA-N 308.382 -0.760 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)CS(=O)(=O)CC)CCCO1 1202164462 NKOSTQBDWWBGME-CYBMUJFWSA-N 316.423 -0.349 30 20 DBED C[C@@H](C(=O)N1CCCO[C@@H](CNCC#N)C1)N1CCOCC1 1202244017 RPFQOTBKCOMHKE-KBPBESRZSA-N 310.398 -0.562 30 20 DBED C=CCCNC[C@H]1CN(C(=O)C[C@@H]2CC(=O)NC2=O)CCCO1 1202252499 YYCHJWYZEVBTFL-STQMWFEESA-N 323.393 -0.178 30 20 DBED C=CCN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)CS(=O)(=O)NC)C2 1204988460 OMFJVXKOVRJELY-IJLUTSLNSA-N 301.412 -0.309 30 20 DBED COCC#CCNCC1CCN(C(=O)[C@H]2COC(=O)N2)CC1 1205152253 CFVOUZBBYGUXLW-CYBMUJFWSA-N 309.366 -0.427 30 20 DBED C#CCNCC1CCN(C(=O)COCc2ncnn2C)CC1 1206743699 YAVWXVLLKGZBLA-UHFFFAOYSA-N 305.382 -0.207 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(CCOCCO)C[C@H]1C 1206916033 SSFKMOKPRDDDPF-UMVBOHGHSA-N 300.399 -0.241 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)C[C@H]2CCCO2)C1 1207450961 KIJOPUJBCNANQW-ZIAGYGMSSA-N 307.394 -0.115 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H](NCC(=O)NC(=O)NC2CC2)C1 1207688776 SKWYSJBLHBYCRN-JQWIXIFHSA-N 321.381 -0.285 30 20 DBED CCn1nccc1C(=O)N1CCC[C@@H](NCC(=O)NCC#N)C1 1207884929 DMAXZOMVHNNRPE-GFCCVEGCSA-N 318.381 -0.263 30 20 DBED COCC#CCN[C@H]1CCCN(C(=O)[C@H](C)S(C)(=O)=O)C1 1208426916 OWWYSVXQPPEFAM-STQMWFEESA-N 316.423 -0.350 30 20 DBED CC#CCN[C@@H]1CCCN(C(=O)CS(=O)(=O)CCOC)C1 1208436133 XOCCBHHPLXFZDE-CYBMUJFWSA-N 316.423 -0.349 30 20 DBED COCC#CCN1C[C@@H](NC(=O)[C@@H](C)n2cncn2)[C@H](OC)C1 1212136919 RRAGTSKQQGGPJW-MGPQQGTHSA-N 321.381 -0.696 30 20 DBED CO[C@@H]1CN(Cc2nnnn2C)C[C@H]1NC(=O)C#CC(C)C 1212231299 UNALJIZWDMVIEX-VXGBXAGGSA-N 306.370 -0.815 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C(C)=C2CCCC2)C1 1219436734 MIKJMDLSNAATHY-CABCVRRESA-N 319.405 -0.212 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)CCc2ccc(O)nc2)C1 1220218304 PDAKFADCRPEPAQ-KGLIPLIRSA-N 303.362 -0.096 30 20 DBED C=CCO[C@H](C)C(=O)N1CCC[C@H](NCc2nnn(C)n2)C1 1222067871 MWNYBRRGYHBVND-NEPJUHHUSA-N 308.386 -0.118 30 20 DBED C[C@@H](C(=O)NC1CCN(CC(=O)NCC#N)CC1)n1cncn1 1226906409 NZUOHMDVEAQHMZ-NSHDSACASA-N 319.369 -0.941 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC(NC(=O)[C@@H](C)OCC#C)CC1 1227308503 XESRCOCRRQQXHC-ZIAGYGMSSA-N 319.405 -0.257 30 20 DBED C#CCN1CCS(=O)(=O)[C@H](CCNC(=O)c2[nH]cnc2C)C1 1230531999 BMVKIYSFJGTDPI-GFCCVEGCSA-N 324.406 -0.430 30 20 DBED C=CCNC(=O)[C@@H](C)N(C)CCCNC(=O)CN1CCCC1=O 1233783319 BCKOCPIZNHLJBR-CYBMUJFWSA-N 324.425 -0.262 30 20 DBED COC(=O)N1CC(NC(=O)C(=O)Nc2ccn(CCC#N)n2)C1 1255539815 QRGDTSGKFFBROO-UHFFFAOYSA-N 320.309 -0.698 30 20 DBED C=C[C@@H]1CCCCN1C(=O)C(=O)NCc1nc(O)cc(CN)n1 1261636252 DCDJMFZJROALPE-LLVKDONJSA-N 319.365 -0.176 30 20 DBED COC[C@H](O)CN1CC2(C1)CN(C(=O)C#CC(C)(C)C)CCO2 1280898425 FRTAJMPLLINWQS-CQSZACIVSA-N 324.421 -0.044 30 20 DBED CN(CCNC(=O)C(=O)N1CCO[C@H](C#N)C1)c1ccccc1 1321445859 NKAZFDCPEOFWPE-CQSZACIVSA-N 316.361 -0.010 30 20 DBED CNC(=O)CCCNC(=O)C(=O)NCc1cccc(C#N)c1 1321667241 ZVJMOOAMYGFTQV-UHFFFAOYSA-N 302.334 -0.183 30 20 DBED C=CC1CCN(C(=O)C(=O)NCCNC(=O)c2cc[nH]n2)CC1 1325698679 UVQHBHGJHWPWAJ-UHFFFAOYSA-N 319.365 -0.320 30 20 DBED CN(CC(C)(C)C#N)C(=O)C(=O)N1C[C@@H](CO)OC(C)(C)C1 1325808078 DHEFFIYDPMLAFI-NSHDSACASA-N 311.382 -0.007 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N1CC[C@H](OCCOC)C1 1325869002 WLEKBZYBMGFQQN-ZDUSSCGKSA-N 314.382 -0.089 30 20 DBED CN(C)[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)C1 1326128636 QPHAWVNLYPUHGP-IOASZLSFSA-N 322.409 -0.148 30 20 DBED C#C[C@@H](NC(=O)C(=O)N1CCC[C@@H](C(=O)O)C1)[C@H]1CCCO1 1331049177 PUDGHEURVKOSJA-IJLUTSLNSA-N 308.334 -0.393 30 20 DBED C#CC[C@H](CO)NC(=O)NC1CCN(C(=O)CCOC)CC1 1332335795 BGIFTIKSOVXHAF-CYBMUJFWSA-N 311.382 -0.303 30 20 DBED C=CCn1cc(Cn2nnnc2N(C)C[C@@H]2CCOC2)nn1 1335124420 VCUSESMIBCAAKC-NSHDSACASA-N 304.358 -0.028 30 20 DBED O=C(NCC#Cc1ccccc1)C(=O)N1CCOC[C@@H]1CCO 1340460785 QESJMMSNZFOHIK-HNNXBMFYSA-N 316.357 -0.236 30 20 DBED C=C(C)COCCNC(=O)C(=O)N[C@@H]1CCN(C(=O)CC)C1 1342802146 SMPIABMCAXEIEY-GFCCVEGCSA-N 311.382 -0.178 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N[C@@H]1C[C@H](OCC)[C@H]1OC 1343343784 ASCUNIAVXUKSGI-WYUUTHIRSA-N 300.355 -0.388 30 20 DBED C#CCN(C)c1nnc(CCc2nn[nH]n2)n1C[C@H]1CCOC1 1344079327 UOWGSTZOGGQUKH-LLVKDONJSA-N 316.369 -0.318 30 20 DBED COCC#CC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 1350877478 YQWOOTLWCJKHLX-UHFFFAOYSA-N 307.394 -0.031 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)NCCn1cnnc1CC 1352521175 KENYBASXUUMREP-LBPRGKRZSA-N 321.381 -0.499 30 20 DBED CN(C)C(C)(C)CNC(=O)CCn1cc(C#N)c(O)nc1=O 1361695430 LJCRXVZWYGSHSI-UHFFFAOYSA-N 307.354 -0.333 30 20 DBED CCN(C(=O)Cn1cc(C#N)c(O)nc1=O)C(C)(C)C(=O)OC 1363627500 XPQPEVMDJPSETN-UHFFFAOYSA-N 322.321 -0.379 30 20 DBED C[C@H](CNC(=O)c1nc2ncccn2n1)CNC(=O)[C@@H](C)C#N 1375755048 OJMIMAFNCMFKPH-UWVGGRQHSA-N 315.337 -0.234 30 20 DBED CC[C@H](C)C(=O)NCC1(O)CN(CC(=O)N(CC)CCC#N)C1 1376141304 QUNXJVUELPAEGE-ZDUSSCGKSA-N 324.425 -0.042 30 20 DBED C[C@H](CNC(=O)CO[C@H]1CCOC1)NC(=O)c1cc(C#N)c[nH]1 1376833529 OMCRDAXDBBXJIT-PWSUYJOCSA-N 320.349 -0.074 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](C)NC(=O)CCCS(C)(=O)=O 1377127394 CPIUABRBJMAWJM-VHSXEESVSA-N 303.384 -0.408 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H]1CNC(=O)CCn1cnnn1 1387377833 PNNSYFASFUVGPO-QWRGUYRKSA-N 305.342 -0.670 30 20 DBED C[C@H](C#N)C(=O)NCC1CN(C(=O)[C@@H]2CCCC(=O)N2C)C1 1387926565 TYQWDAKDKJWORW-PWSUYJOCSA-N 306.366 -0.268 30 20 DBED CC(C)OC(=O)[C@H](C)NC(=O)Cn1cc(C#N)c(O)nc1=O 1412142073 KMPCPMQHBXCALB-QMMMGPOBSA-N 308.294 -0.723 30 20 DBED Cn1c(=O)[nH]c(N(CCCO)Cc2ccccn2)c(C#N)c1=O 1412888986 YOCILDZMMDOBMR-UHFFFAOYSA-N 315.333 -0.271 30 20 DBED CC(=O)NCC(=O)NC1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](C)C#N 1414980924 VJRCQNMEQNDXHI-NSNUZPRRSA-N 306.366 -0.080 30 20 DBED C[C@@H](C#N)C(=O)NCC1CN(C(=O)CCCS(C)(=O)=O)C1 1416124745 ULGPVVQGCYNZCI-JTQLQIEISA-N 315.395 -0.455 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](C)CN(C)C(=O)c1cccc(C(N)=O)n1 1425125688 YABPJJBTNHYKLA-VHSXEESVSA-N 317.349 -0.083 30 20 DBED N#Cc1c(F)cccc1S(=O)(=O)N1C[C@@H](CO)[C@@H](CO)C1 1434615481 ZSDYYNDKEHFYRD-AOOOYVTPSA-N 314.338 -0.081 30 20 DBED CC(=O)NCC(=O)NC[C@@H](NC(=O)c1c[nH]c(C#N)c1)C1CC1 1454107243 PFYVPFRDMIFXRQ-CYBMUJFWSA-N 317.349 -0.353 30 20 DBED COC(=O)C1(C#N)CCN(C(=O)[C@@H]2CN3CCCN2CC3)CC1 1457825011 XXQXWXYGHVGFCW-ZDUSSCGKSA-N 320.393 -0.318 30 20 DBED C=C(Cl)CN1CC(CNC(=O)CN2CCCS2(=O)=O)C1 1481628323 RXNSMLWENLJEJF-UHFFFAOYSA-N 321.830 -0.178 30 20 DBED C[C@H](CN(C)C(=O)c1cnn(C)n1)NC(=O)c1cc(C#N)c[nH]1 1487835288 WBBHOSYBLYGTAN-SECBINFHSA-N 315.337 -0.095 30 20 DBED CNC(=O)NCC(=O)N1CCC[C@@H](N(C)C(=O)[C@@H](C)C#N)C1 1495381094 AIPLIGNGJZGWKK-WDEREUQCSA-N 309.370 -0.476 30 20 DBED N#Cc1cc(C(=O)N2CC(NC(=O)CCCC(N)=O)C2)c[nH]1 1498270584 XTUFNTCOKIFQJF-UHFFFAOYSA-N 303.322 -0.517 30 20 DBED CCN(CCNC(=O)CNC(=O)OC)C(=O)c1c[nH]c(C#N)c1 1528766474 NKIYKDSIGBPROT-UHFFFAOYSA-N 321.337 -0.179 30 20 DBED C#CC[C@H](C)NC(=O)[C@@H]1[C@H](O)C(=O)N(C)[C@H]1c1cnn(C)c1 1548660058 HROZWJNVZHMTIV-BQUFFADESA-N 304.350 -0.562 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@@H](N(C)C(=O)CNC(=O)O)C1 1573311380 NVIHRGYPAGJOOD-WDEREUQCSA-N 311.338 -0.648 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](NC(=O)CNC(=O)O)[C@H](OC)C1 1573347424 KOAOQUFZEFLMLL-NXEZZACHSA-N 313.354 -0.192 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(c2nccnc2-c2nn[nH]n2)CC1 1573570863 VUYITVVLEAOTOV-VIFPVBQESA-N 313.325 -0.535 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](C)N(C)c1ccnc(-c2nn[nH]n2)n1 1573575696 ALNDRIZZGKPFIQ-IUCAKERBSA-N 315.341 -0.243 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CCCN(CC(=O)NCc2cnn[nH]2)C1 1575177836 MLFRFSQHOYHSEE-WDEREUQCSA-N 319.369 -0.839 30 20 DBED COC(=O)[C@H]1C[C@H](Nc2cnc(-c3nn[nH]n3)c(C#N)n2)C1 1579475176 VYNFMFGYULIVGB-LJGSYFOKSA-N 300.282 -0.108 30 20 DBED C#CCN(CC(=O)O)C(=O)[C@@H](C)N1C(=O)NC2(CCCC2)C1=O 1588397961 ZSXWBMBWEOPDNX-SNVBAGLBSA-N 321.333 -0.214 30 20 DBED C#CC[C@@H](NC(=O)[C@H]1CC(c2cn(C)nc2C)=NO1)C(=O)O 1588406674 SBOWCAXGNCUPKF-ZYHUDNBSSA-N 304.306 -0.186 30 20 DBED C=C[C@@H](NCC(=O)NCC(=O)NCc1ccccc1)C(=O)O 1588698316 ZSAIDZRGVWMAED-GFCCVEGCSA-N 305.334 -0.352 30 20 DBED CC(C)(C)OC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C#N)CO 1590236311 BIOZWLRIGGSNON-YUMQZZPRSA-N 301.299 -0.645 30 20 DBED N#Cc1ncn(CCNC(=O)[C@H]2CO[C@H](CCC(=O)O)C2)n1 1594635783 VEQGDSKXBRYNNC-NXEZZACHSA-N 307.310 -0.464 30 20 DBED CN1C[C@@H](C(=O)O)N(C(=O)CNc2ccc(C#N)cc2)CC1=O 1598562157 IQXXSYRCJWUQCO-LBPRGKRZSA-N 316.317 -0.276 30 20 DBED C[C@H](CN1CCCC1=O)Nc1cnc(-c2nn[nH]n2)c(C#N)n1 1603518246 SRQGFYMSTYBLTR-MRVPVSSYSA-N 313.325 -0.049 30 20 DBED C[C@H](C#N)C(=O)N(C)C1CCN([C@H]2CCC(=O)NC2=O)CC1 1752295862 XQCSJBNNTJFCAV-PWSUYJOCSA-N 306.366 -0.126 30 20 DBED C#CCN1CCC[C@@H](CNC(=O)Cn2nc(C)n(C)c2=O)C1 1752789811 LOUIRYKCNYICCB-ZDUSSCGKSA-N 305.382 -0.648 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@H]1CCN(C(=O)CCOCC)C1 1752932328 JWRCXFZEFBBQFW-ZIAGYGMSSA-N 309.410 -0.011 30 20 DBED C=CCNC(=O)CN[C@H](C)CCNC(=O)[C@@]1(C)CCNC1=O 1753014728 PSYNATOFRWJYHO-IAQYHMDHSA-N 310.398 -0.701 30 20 DBED C#CCNC(=O)CN(C)CCNC(=O)Cc1cnccc1C 1753051649 MAHOTIIHMWGZQN-UHFFFAOYSA-N 302.378 -0.270 30 20 DBED C#CCO[C@H](C)C(=O)NC1CN([C@H]2CCN(C3CCC3)C2=O)C1 1753377601 FIBHZBLBUQNUGZ-DOMZBBRYSA-N 319.405 -0.022 30 20 DBED CC(C)C#CC(=O)NC[C@@H](C)CNC[C@H](O)CN1CCCC1=O 1753612843 LCJCLQAWMHVUAG-GJZGRUSLSA-N 323.437 -0.029 30 20 DBED C[C@H](CCNCc1nc(=O)n(C)[nH]1)NC(=O)c1ccc(C#N)[nH]1 1753960213 WCLRGGIIMZYXDB-SECBINFHSA-N 317.353 -0.394 30 20 DBED C#CCOCCC(=O)N1C[C@@H](C)[C@@H](NCc2nc(O)n[nH]2)C1 1755109468 VOQMPVRPDDZBJT-MNOVXSKESA-N 307.354 -0.513 30 20 DBED N#CCNC(=O)CNCC1CC(NC(=O)c2cncs2)C1 1755207552 KPYAYIYOEBIGSZ-UHFFFAOYSA-N 307.379 -0.119 30 20 DBED COCC#CCN[C@H](C)[C@@H](C)NC(=O)c1ccc(C(N)=O)cn1 1755271325 ZXDXYSAEMTWLBV-VXGBXAGGSA-N 318.377 -0.073 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@H](C)CNC(=O)c1cnnc(C)c1 1755297488 XTDYSBKLSBGJFP-OLZOCXBDSA-N 317.393 -0.027 30 20 DBED C#CCNC(=O)[C@@H](C)NCCC[C@H](C)NC(=O)c1cnn(C)n1 1755516660 QCWAPNKGMVHZNV-NWDGAFQWSA-N 320.397 -0.559 30 20 DBED CN(CC#N)CCOCCNC(=O)c1nccn2ccnc12 1755544346 SFNSKYOZEBKEII-UHFFFAOYSA-N 302.338 -0.069 30 20 DBED C#CCOCCC(=O)N(C)C[C@H](C)N[C@H](C)C(=O)NC(N)=O 1755587040 VBKZBGPRCYERGV-WDEREUQCSA-N 312.370 -0.954 30 20 DBED CNC(=O)NC(=O)CNC1CC(N(C)C(=O)C#CC(C)C)C1 1755855975 JHPBOQQRDSJGTR-UHFFFAOYSA-N 308.382 -0.320 30 20 DBED C=CCOCC(=O)NC[C@H](C)N(C)C(=O)c1ccc(C(N)=O)[nH]1 1756010450 HLTXUGRWPUCSCU-JTQLQIEISA-N 322.365 -0.107 30 20 DBED C=CCOCC(=O)NCC1[C@@H]2CN(C(=O)c3[nH]nnc3C)C[C@@H]12 1756194404 FFYYFWBMOQVBMH-RYUDHWBXSA-N 319.365 -0.250 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@H](CO)NC(=O)c1nc(C)c[nH]1 1756515418 LMVHNMHMVSBBID-QMTHXVAHSA-N 310.354 -0.748 30 20 DBED C=C(C)CCC(=O)N(C)C[C@H](O)CNC(=O)Cc1nc[nH]n1 1756666380 YBCWZZMSOYTEDB-LLVKDONJSA-N 309.370 -0.361 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)OCC=C 1793360526 RPOUKLDJILHDEP-GUIRCDHDSA-N 306.362 -0.200 30 20 DBED N#CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1CCNC1=N)C2 1795461588 NGSIYARPKJBQAB-ZSBIGDGJSA-N 318.381 -0.622 30 20 DBED C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CCCC1=O 1795892561 QDQODOSPWRQRPR-CLLJXQQHSA-N 303.362 -0.120 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cc(C)[nH]n1 1797856211 JKLYCIGSZIZYAB-DRXBFXEBSA-N 316.361 -0.517 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CCC1 1801985277 QAZXWCLUDPCYNR-DABQJJPHSA-N 301.346 -0.097 30 20 DBED C=CCC(=O)NC[C@H]1CCN(C(=O)C(O)O)[C@H]1c1cccnc1 1813052113 DYIUZCUXYADHCT-OCCSQVGLSA-N 319.361 -0.026 30 20 DBED CS(=O)(=O)CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C#CC1CC1 1847745392 LVYSRNXXENRIQO-STQMWFEESA-N 324.402 -0.354 30 20 DBED Cn1cc(S(=O)(=O)OCC(F)(F)F)c(=O)n(C)c1=O 48381714 RKZVWCCDFHLTLN-UHFFFAOYSA-N 302.230 -0.648 30 20 DBED CCN(CCC#N)C(=O)CN1CCN(CC(=O)N(C)C)CC1 79865889 VUOQHYJFFLADSL-UHFFFAOYSA-N 309.414 -0.546 30 20 DBED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC[C@@H]2C(N)=O)CC1 92618567 PQXMHKIWGYCKLI-ZIAGYGMSSA-N 321.425 -0.372 30 20 DBED C#CCN(C(=O)CSCC(=O)O)[C@H]1CCS(=O)(=O)C1 128189730 UJQGHBWEMYZONS-VIFPVBQESA-N 305.377 -0.547 30 20 DBED C#CC[C@H](NS(=O)(=O)N1CCC[C@@H]1C(=O)OCC)C(=O)O 159572858 CJVKDFLMMBKBMX-VHSXEESVSA-N 318.351 -0.675 30 20 DBED C=CCN(C(=O)[C@@H]1CC[C@H](C(=O)O)O1)[C@@H]1CCS(=O)(=O)C1 262278547 ILXUQYNABPXGJI-OUAUKWLOSA-N 317.363 -0.180 30 20 DBED COc1ncnc(N(C)C)c1NC(=O)C(=O)N[C@H](C)CC#N 276066722 RXCFJQYUHFJCLY-MRVPVSSYSA-N 306.326 -0.092 30 20 DBED C#CCNC(=O)CN1CCN(c2ncc([N+](=O)[O-])s2)CC1 281751343 BWJNTTSYHDWFED-UHFFFAOYSA-N 309.351 -0.077 30 20 DBED C[C@H](NS(=O)(=O)c1cccnc1C#N)C(=O)NCCF 282514419 ZXENYAYQEQHVHV-QMMMGPOBSA-N 300.315 -0.294 30 20 DBED COC(=O)[C@@H](NS(=O)(=O)c1ccc(C#N)c(F)c1)[C@H](C)O 291600752 AAIJYRHXDZLVNC-CPCISQLKSA-N 316.310 -0.102 30 20 DBED O=C1CN(/C(O)=N/[C@H]2CCc3ncnn3C2)CCN1C1CC1 328721413 RDQGHXHLVACKTD-JTQLQIEISA-N 304.354 -0.187 30 20 DBED C[C@@H]1OCC[C@H]1/N=C(/O)CN1CCN(S(C)(=O)=O)CC1 329056266 XVXMFZSUNPDMLV-WDEREUQCSA-N 305.400 -0.303 30 20 DBED CS(=O)(=O)N1CCN(C/C(O)=N/C[C@H]2CCCOC2)CC1 329910348 VTRWAYGGEQLQTD-GFCCVEGCSA-N 319.427 -0.053 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N[C@@H](CO)c1cnn(C)c1 330372206 JZIBEZZIMSFLTP-ONGXEEELSA-N 301.372 -0.621 30 20 DBED CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1CCN(C(=O)[C@H](C)O)CC1 330582740 RDQVVACJVFWXML-XEZPLFJOSA-N 324.425 -0.046 30 20 DBED CNC(=O)[C@@H]1CCCN1CC(=O)N/C(O)=N/[C@@H](C)COC 330645675 UDRGOOLGXMQNED-UWVGGRQHSA-N 300.359 -0.738 30 20 DBED CCN(CCC/N=C(/O)N[C@H]1CC(=O)N(C)C1)S(C)(=O)=O 331018299 MVDZUALCDNJUEI-JTQLQIEISA-N 320.415 -0.608 30 20 DBED Cn1cc(N2CC[C@H](NS(=O)(=O)CCCC#N)C2=O)cn1 332380428 OEXKGDCGRTYPDQ-NSHDSACASA-N 311.367 -0.251 30 20 DBED CCOC(=O)[C@](C)(O)CNS(=O)(=O)N(C)[C@@H](C)CC#N 337852277 YDPCRQFAUIJZOZ-GXSJLCMTSA-N 307.372 -0.631 30 20 DBED C=CCn1c(N)nnc1SCC(=O)N[C@@H](C)C(=O)N(C)C 339651877 OCCXLAZORPPHJM-QMMMGPOBSA-N 312.399 -0.269 30 20 DBED CN(C)C(=O)[C@H]1CC[C@H](CNS(=O)(=O)CCCC#N)O1 341208735 ZLUVNNFASREIME-GHMZBOCLSA-N 303.384 -0.155 30 20 DBED Cc1ccc(CCC(=O)NCC(=O)NCC(=O)NCC#N)cc1 343518534 MNLZGSKVWABRMK-UHFFFAOYSA-N 316.361 -0.200 30 20 DBED C=C[C@H](CO)NC(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 356852582 GMNSEQFPKZYKSX-JKKYPKHBSA-N 308.334 -0.798 30 20 DBED CC(C)C(=O)N[C@@H](CO)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 365864822 DGLIVLITHAPZTG-OLZOCXBDSA-N 308.382 -0.682 30 20 DBED CNC(=O)N[C@H]1CCN(S(=O)(=O)c2cccnc2C#N)C1 428389832 ACSHQAOKJAGQRS-VIFPVBQESA-N 309.351 -0.355 30 20 DBED CN(C(=O)C(=O)Nc1ccn(CCC#N)n1)[C@@H]1CCCC[C@H]1O 440528683 VXUATKTYXDXGNE-VXGBXAGGSA-N 319.365 0.497 30 20 DBED C=CCNC(=O)NC(=O)CN[C@@](C)(COC)CC(=O)OC 440564278 ZKFOXUVNRUVTIR-CYBMUJFWSA-N 301.343 -0.444 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)c2cnc(C)cn2)CC1 490618689 YQBUABDCYMUSKH-UHFFFAOYSA-N 315.377 -0.318 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CC[C@@H](CC)O2)CC1 491126272 MNHSAMWZAIDJSV-KGLIPLIRSA-N 307.394 -0.162 30 20 DBED C#C[C@H](C)N(C)C(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 491765499 DKAXADFIUVGONT-QJPTWQEYSA-N 312.391 -0.498 30 20 DBED CNC(=O)CN1CCN(c2ccc(C(=O)OC)nc2C#N)CC1 516511233 KVDZDGWBSQDSCS-UHFFFAOYSA-N 317.349 -0.392 30 20 DBED CC(=O)N1CC(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C1 517172825 MOAGTDFUEWPCFF-UHFFFAOYSA-N 324.318 -0.025 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H]([C@@H](C)O)C2)C1=O 532628121 ZSXJXIRZIHKFGX-GHMZBOCLSA-N 323.349 -0.417 30 20 DBED CNC(=O)[C@@]1(C)CCN(C(=O)C(=O)Nc2cccc(C#N)n2)C1 564948050 QLVJOMFWMKRYAO-HNNXBMFYSA-N 315.333 -0.124 30 20 DBED COc1cccc(OC)c1OC[C@@H](O)CNCC(=O)NCC#N 570325283 GCGIKIOOZYJTOY-NSHDSACASA-N 323.349 -0.327 30 20 DBED N#CC1CN(C(=O)CCC(=O)Nc2ccc3nc(O)[nH]c3n2)C1 590487703 TULVUHVUVNUMKL-UHFFFAOYSA-N 314.305 0.364 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N[C@H](C(=O)O)[C@H]1CCOC1 593255188 DGOJCGKNHDNDAL-UTLUCORTSA-N 305.356 -0.598 30 20 DBED CN(C)CCCN(CCC#N)C(=O)[C@@H]1CCS(=O)(=O)N1 593418434 GNSXPSRZSLVUOV-NSHDSACASA-N 302.400 -0.628 30 20 DBED CS(=O)(=O)C1CN(C(=O)NC2CCN(CC#N)CC2)C1 596275387 QGRNDKDXIJAPFM-UHFFFAOYSA-N 300.384 -0.587 30 20 DBED N#CCNC(=O)CNC(=O)N[C@@H]([C@@H]1CCCO1)C1(CO)CCC1 596599493 RAPOHWHXQVZIFN-AAEUAGOBSA-N 324.381 -0.364 30 20 DBED CN(C)[C@H]1CN(S(=O)(=O)Cc2ccc(C#N)cc2)C[C@@H]1O 601416283 UBPOPJHCOHLNQS-KBPBESRZSA-N 309.391 -0.005 30 20 DBED C[C@H]1CCN(C(=O)C(=O)N2CCN(CCC#N)CC2)C[C@H]1CN 601580196 BWDLQPPXDOBVTD-UONOGXRCSA-N 321.425 -0.512 30 20 DBED CN1CCN(Cc2cn(CC(=O)NC3(C#N)CCC3)nn2)CC1 603199635 CYLIIMZARUFJQY-UHFFFAOYSA-N 317.397 -0.412 30 20 DBED C=C[C@@H](Nc1cnn(CC(=O)N2CCOCC2)c1)C(=O)OC 619703651 QCLNDQKDTBNDCV-GFCCVEGCSA-N 308.338 -0.119 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)OCCCNC(C)=O)C1=O 726039664 TYBYQHUJIPINOB-UHFFFAOYSA-N 311.294 -0.967 30 20 DBED C[C@@H](OC(=O)CN1C(=O)CN(C)C1=O)C(=O)N(C)CCC#N 729566556 YSZFXDOOCPRBRM-SECBINFHSA-N 310.310 -0.816 30 20 DBED COc1cc(C(C)=NNC2=NC(=O)C(=O)N2)cc([N+](=O)[O-])c1O 765593037 AVHIUUDYPNEZNA-UHFFFAOYSA-N 321.249 -0.365 30 20 DBED C#C[C@@H](NC(=O)C(=O)NCCC1(C)OCCO1)[C@H]1CCCO1 806376598 XYMQHNYMWLHOPL-VXGBXAGGSA-N 310.350 -0.447 30 20 DBED C#CC[C@H](CO)NC(=O)c1cccc(CN2C(=O)CNC2=O)c1 820053905 HYBBOFVKWMEZEH-CYBMUJFWSA-N 315.329 -0.148 30 20 DBED C#CC[C@H](CO)NC(=O)CSc1nnnn1CC(F)(F)F 854547423 UWEPQFXDMKSNQS-SSDOTTSWSA-N 323.300 -0.172 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)CCc2cn[nH]c2)CC1 863866054 PNCJTNYKUIOAAX-UHFFFAOYSA-N 317.393 -0.374 30 20 DBED C=CCS(=O)(=O)CCNC(=O)/C=C/CN1CCOCC1 867334432 XXXIVZNERMHALD-ONEGZZNKSA-N 302.396 -0.408 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N1CCCC2(C1)OCCO2 875596715 RUQQGXKMEXMEQA-ZDUSSCGKSA-N 324.377 -0.104 30 20 DBED C#C[C@H](C)N(C)CC(=O)NC1CCN(S(C)(=O)=O)CC1 878517483 SAMVWOSXTLQARN-NSHDSACASA-N 301.412 -0.520 30 20 DBED C#CCN(C)C(=O)[C@@H](CC(N)=O)NC(=O)c1ccccc1F 907681287 DUAYUKRXBSZIQE-GFCCVEGCSA-N 305.309 -0.109 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CN1CCCC1=O 936340938 CJVOTAIWWDJDFX-WOPDTQHZSA-N 304.350 -0.420 30 20 DBED CN(C(=O)Cc1nc[nH]n1)[C@H]1CCN(C(=O)C#CC2CC2)C1 937354908 XKCHYKAAUGXOJN-LBPRGKRZSA-N 301.350 -0.180 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[C@H]3COCCO3)C2)[nH]1 937700098 VOKOEVILJWSTSV-WCQYABFASA-N 318.333 -0.368 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)[C@@H](C)C1 945182867 QOUPKCUPADPOLO-RYUDHWBXSA-N 320.397 -0.220 30 20 DBED C=CCn1cccc1C(=O)N1C[C@H]2C[C@H]1[C@@H]2NC(=O)C(N)=O 947917607 LJUUXKYORPSGHJ-ADEWGFFLSA-N 302.334 -0.512 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)[C@H]1COCCO1)CCO2 949037913 HCMUMHCWFQUSRD-CQSZACIVSA-N 308.378 -0.272 30 20 DBED N#CCN1CCC2(CC1)CN(C(=O)[C@H]1CCC(=O)N1)CCO2 949051253 BSXBLBQZGVAJPK-GFCCVEGCSA-N 306.366 -0.518 30 20 DBED C=CCN1C[C@@H](O)[C@H](CNC(=O)c2cc3ncccn3n2)C1 958507748 WEVAIEOTAIZHOR-DGCLKSJQSA-N 301.350 -0.062 30 20 DBED COCc1ncc(C(=O)NC[C@H]2CN(CC#N)C[C@H]2O)s1 958744361 LRTIUFHWYNREES-VHSXEESVSA-N 310.379 -0.164 30 20 DBED C=C(C)CN1C[C@@H](O)[C@@H](CNC(=O)c2cc(C(N)=O)ccn2)C1 958768958 CXQBAJTXJZGLKT-GXTWGEPZSA-N 318.377 -0.221 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CN(C(=O)[C@H]3CN(C)CCO3)C[C@H]2C1 961243440 CEWNHOWPWFIOMP-YIYPIFLZSA-N 320.393 -0.607 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)C(N)=O)CC1 965138569 LCYREQORWUIPLV-UPJWGTAASA-N 323.393 -0.050 30 20 DBED Cc1c[nH]c(C(=O)N[C@H]2COC3(C2)CN(C(=O)[C@H](C)C#N)C3)n1 965711887 UNFYPWGUKSRUFC-MWLCHTKSSA-N 317.349 -0.023 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@]2(CN(Cc3cn(C)nn3)CCO2)C1 972297967 OSUTXTWSUCRLBZ-DOMZBBRYSA-N 318.381 -0.222 30 20 DBED C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@]3(CN(CC#N)CCO3)C2)O1 972430429 FICVGQWYTKJCGF-FMKPAKJESA-N 322.409 -0.468 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)[C@@H](C)S(C)(=O)=O)C2)C1 972435037 LIJKTRRAAVUZPI-OCCSQVGLSA-N 314.407 -0.644 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)c3cc(C(N)=O)co3)C2)C1 972549663 PXJABOGSNIPOKC-MRXNPFEDSA-N 317.345 -0.071 30 20 DBED C#CCN(C)[C@H]1CCN(C(=O)Cn2nc3n(c2=O)CCCC3)C1 972683455 JSNPILYWNXGTLD-ZDUSSCGKSA-N 317.393 -0.453 30 20 DBED C[C@@H](C(=O)N1CC[C@]2(CN(CC#N)CCO2)C1)N1CCOCC1 972708005 NPKHNWCBGJEAQB-HOCLYGCPSA-N 322.409 -0.466 30 20 DBED C#Cc1ccc(C(=O)N2CC(NC(=O)[C@H]3COCCO3)C2)cn1 990283550 XVPALWDLMMOKNX-CQSZACIVSA-N 315.329 -0.581 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)[C@@H](C)N2CCCCC2=O)C1 993811700 MGSOEDXWNOMJIH-WDEREUQCSA-N 306.366 -0.126 30 20 DBED CC#CCN1CCC[C@H](NC(=O)CN2CC(=O)NC2=O)[C@H]1C 994025440 SGKLWAUMCKIZDO-NEPJUHHUSA-N 306.366 -0.469 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2nccnc2C(N)=O)CC1(C)C 996582595 BIVCSUPBLXBKJC-SNVBAGLBSA-N 301.350 -0.351 30 20 DBED C#CCN[C@H]1CN(C(=O)CC[C@@H]2NC(=O)NC2=O)CC1(C)C 996583000 FJHLWYJIXZATDY-QWRGUYRKSA-N 306.366 -0.566 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCC(N[C@@H](C)C(N)=O)CC1 996687407 WLQUGXKTKWNSNE-JSGCOSHPSA-N 306.410 -0.462 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2OCC[C@H]2C)C1 999996261 NVUQACNKCPANNL-SNPRPXQTSA-N 319.405 -0.164 30 20 DBED C=CCCn1cc(C(=O)N2CCC[C@@H](N[C@@H](C)C(N)=O)C2)nn1 1000430216 VWWZDHSOHPCBNT-NWDGAFQWSA-N 320.397 -0.078 30 20 DBED COC(=O)[C@H]1C[C@H]1C(=O)NCC1CN(C(=O)C#CC2CC2)C1 1001167016 CUKZQHUAKKAMKE-OLZOCXBDSA-N 304.346 -0.217 30 20 DBED N#Cc1ccc(C(=O)NCC2CN(C(=O)[C@H]3CCNC3=O)C2)[nH]1 1001464779 ZDNLNGPADRHYME-NSHDSACASA-N 315.333 -0.789 30 20 DBED CCN1C[C@@H](C(=O)NCC2CN(C(=O)[C@@H](C)C#N)C2)CC1=O 1002453323 VGCOMLMSEDUWBH-JQWIXIFHSA-N 306.366 -0.411 30 20 DBED CN1CC[C@H](C(=O)NCC2CN(C(=O)C#CC3CC3)C2)CC1=O 1003063024 LGTRRHHBYJCVDQ-AWEZNQCLSA-N 317.389 -0.157 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCN(Cc2nnn(C)n2)C1 1015829236 PCSXWIWIGJOJCU-OBJOEFQTSA-N 320.397 -0.118 30 20 DBED C=C(C)CCN1CC[C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C1 1016283548 LWDKAFJIQIPPDN-VXGBXAGGSA-N 301.412 -0.165 30 20 DBED CC(=O)N1CCN([C@H]2CCCN(C(=O)[C@@H](C)C#N)C2)C(=O)C1 1017876584 XWQRWPJMDHFJRC-AAEUAGOBSA-N 306.366 -0.172 30 20 DBED CC(C)(C(N)=O)C(=O)N1CC2(CCN(C(=O)C#CC3CC3)C2)C1 1019111161 VKQBNFUKMRUEQS-UHFFFAOYSA-N 317.389 -0.028 30 20 DBED C[C@H](C#N)C(=O)N1CCC2(C1)CN(C(=O)[C@@H]1CCN(C)C1=O)C2 1019301260 LGTFZEVLABKKDO-VXGBXAGGSA-N 318.377 -0.315 30 20 DBED C=CCN1CCC[C@@H]([C@@H](C)NC(=O)c2cn(CC(N)=O)nn2)C1 1025629950 NGAQCGWPDLVMBX-VXGBXAGGSA-N 320.397 -0.220 30 20 DBED C#CCN[C@@H]1CC[C@H]2CN(C(=O)CC3CS(=O)(=O)C3)C[C@H]21 1026297054 GTVORYSKMXJSLV-BFHYXJOUSA-N 310.419 -0.119 30 20 DBED N#CCN[C@@H]1CC[C@@H]2CN(C(=O)Cn3ccc(O)nc3=O)C[C@@H]21 1026307313 VYNNMVJWFUREPP-GRYCIOLGSA-N 317.349 -0.701 30 20 DBED CC#CCN1CCO[C@H](CNC(=O)[C@@H]2CC(=O)N(CC)C2)C1 1035389404 CGHAGAPNOKRSEV-ZIAGYGMSSA-N 307.394 -0.305 30 20 DBED CC#CCN1CCO[C@H](CNC(=O)c2cnc3n2CCOC3)C1 1035405588 YPULVLQHWSDMOP-CYBMUJFWSA-N 318.377 -0.133 30 20 DBED C#CCCN1CCO[C@H](CNC(=O)c2cn(CC=C)nn2)C1 1035536433 QJLZKRXMCIUSFU-CYBMUJFWSA-N 303.366 -0.082 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2[C@H]3C[C@H]2N(Cc2nnnn2C)C3)cn1 1037687544 RUVSODBIIBEONL-LNSITVRQSA-N 323.360 -0.411 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(O)(CNC(=O)CCOC)C1 1041051598 ZCLGPKMNMQCDIQ-CYBMUJFWSA-N 300.355 -0.961 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)C[C@@H]2CCCCO2)C1 1042478116 PCLYYVKLRUOJJB-RYUDHWBXSA-N 309.366 -0.205 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)/C=C\c2ccc[nH]2)C1 1042770257 OLUKNARNJQIQQX-WYGGZMRJSA-N 302.334 -0.123 30 20 DBED CN(C(=O)c1cccc(OCC(N)=O)c1)C1CN(CC#N)C1 1042844636 RFSDIIOFWQKZTK-UHFFFAOYSA-N 302.334 -0.170 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)[C@H]2CC2(F)F)C1 1042911868 XRBPJSMOISGXSG-SECBINFHSA-N 304.293 -0.466 30 20 DBED C=CCCn1cc(C(=O)NCC2(O)CN(C(=O)CC)C2)nn1 1043228723 RGBMZTRRWWUFCU-UHFFFAOYSA-N 307.354 -0.433 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)CCn2ccnc2)C1 1044138013 VEXXLWTWXPMLET-UHFFFAOYSA-N 306.366 -0.071 30 20 DBED CC[C@H](F)C(=O)NCC1(O)CN(C(=O)c2cc(C#N)c[nH]2)C1 1044790997 YAHLIGVPEPTGND-JTQLQIEISA-N 308.313 -0.062 30 20 DBED C=CCCCC(=O)NCC1(O)CN(C(=O)C[C@H]2CCC(=O)N2)C1 1045451569 WDXSTJJYNVMFJQ-GFCCVEGCSA-N 323.393 -0.299 30 20 DBED C[C@@H]1CCN(CC(=O)N2CC(O)(CNC(=O)[C@H](C)C#N)C2)C1 1045554313 CACYRTLZIBWVQJ-VXGBXAGGSA-N 308.382 -0.823 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)CCCn2ccnc2)C1 1045564307 FUEVSBBKRXEWMZ-GFCCVEGCSA-N 319.365 -0.488 30 20 DBED C=CCN1CC[C@@H](N2CCN(C(=O)[C@@H]3CCC(=O)NC3)CC2)C1 1046043033 RTZMZLCGFRHLFZ-HUUCEWRRSA-N 320.437 -0.083 30 20 DBED C#CCCN1CC[C@](C)(NC(=O)[C@@H]2CCN(C)S2(=O)=O)C1 1046688738 CYTSMBKMGKUCFL-JSGCOSHPSA-N 313.423 -0.376 30 20 DBED CC#CCN1CC[C@@](C)(NC(=O)c2cc(=O)n3[nH]cnc3n2)C1 1046769241 QEKMBVPBRAGPJW-OAHLLOKOSA-N 314.349 -0.365 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cn3c(n2)COCC3)C1 1047428649 GAWKFGXXLZKAGY-STQMWFEESA-N 304.350 -0.836 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2c(OC)ccnc2O)C1 1047598405 KUUPAGRVXQJXEM-QWRGUYRKSA-N 305.334 -0.454 30 20 DBED C#CCO[C@H](C)C(=O)N(C)[C@H]1CN(C(=O)CCOC)C[C@@H]1O 1048852330 KYTJXFWDNUJOSF-AGIUHOORSA-N 312.366 -0.909 30 20 DBED C=CCCN1C[C@H]2CN(C(=O)C[C@@H]3NC(=O)NC3=O)C[C@H]2C1 1048869368 VHGOYJOIYNKZEP-TUAOUCFPSA-N 306.366 -0.449 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)c2ccnnc2)C[C@@H]1O 1049402139 PYTRPWGZEDVSLP-USWWRNFRSA-N 303.322 -0.720 30 20 DBED C#CCCN1CCC2(CC1)CN(C(=O)CN1CCNC(=O)C1)C2 1050616414 AEQLNGLPRYLBIH-UHFFFAOYSA-N 318.421 -0.634 30 20 DBED C#CCN1CCN([C@@H]2CCN(C(=O)[C@H]3CC(=O)N(C)C3)C2)CC1 1052035457 JUFUEUQSUQGSHS-LSDHHAIUSA-N 318.421 -0.684 30 20 DBED C#CCN1CCN([C@H]2CCN(C(=O)[C@H]3CCC(=O)NC3)C2)CC1 1052048265 PORYRRXTIBZICO-GJZGRUSLSA-N 318.421 -0.636 30 20 DBED C#CCCN1CCC[C@H](NC(=O)Cn2ccc(O)nc2=O)CC1 1052537758 OTXYGEFPUDSVRP-ZDUSSCGKSA-N 318.377 -0.057 30 20 DBED CC#CCN1CCC(N2[C@H]3CC[C@H]2CN(C(=O)C(N)=O)C3)CC1 1052991178 XDIBFRNVIQLABJ-GJZGRUSLSA-N 318.421 -0.365 30 20 DBED C=C(C)CN1CC2(C1)CN(C(=O)C1CN(C(C)=O)C1)CCO2 1053233804 HNNYNAJBGMESLQ-UHFFFAOYSA-N 307.394 -0.046 30 20 DBED C[C@@H]1CCCN(C(=O)C(=O)N2CCOC3(CN(CC#N)C3)C2)C1 1053461010 MMROCMQVZXRCHE-CYBMUJFWSA-N 320.393 -0.318 30 20 DBED CC[C@H](C(=O)N1CCOC2(CN(CC#N)C2)C1)N1CCCC1=O 1053536012 GDCWXIAVDXAUOK-CYBMUJFWSA-N 320.393 -0.176 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)c3cnc(O)n3C)CO2)C1 1053891412 JDSJVSVCFKVPMD-NSHDSACASA-N 304.350 -0.278 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)c3cc(C(N)=O)c[nH]3)CO2)C1 1053968462 PCSSBKCIISWHRW-SNVBAGLBSA-N 303.322 -0.790 30 20 DBED C#CCN1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CNC(=O)N1 1054051979 LUJIADIVJZZVKC-GJZGRUSLSA-N 312.373 -0.156 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H]2CN(C(=O)C3(C)CC3)C[C@H]2C1 1055294667 OAKJTFSNTRVIIT-BETUJISGSA-N 317.389 -0.157 30 20 DBED CCNC(=O)CC(=O)N[C@]1(CO)CCCN(C(=O)[C@@H](C)C#N)C1 1055896650 LCCIOGOANUJQTL-XHDPSFHLSA-N 324.381 -0.858 30 20 DBED CN(c1nccnc1C#N)[C@@H]1CCN(C(=O)Cc2nc[nH]n2)C1 1056964539 QHECEWDVIPWPJR-SNVBAGLBSA-N 312.337 -0.254 30 20 DBED C=CCOCCCC(=O)NCCN(CCO)C(=O)c1cc[nH]n1 1057044966 MMBMQWGUHHQUCQ-UHFFFAOYSA-N 324.381 -0.057 30 20 DBED N#Cc1nccnc1N1CCCN(C(=O)Cn2cncn2)CC1 1057139503 FQYUZDQJODZUBU-UHFFFAOYSA-N 312.337 -0.321 30 20 DBED N#Cc1nccc(N2CCC(NC(=O)[C@H]3CCC(=O)N3)CC2)n1 1057846721 DBGGMBOYQRWNJN-LLVKDONJSA-N 314.349 -0.288 30 20 DBED N#Cc1ccc(N2CCC[C@H](NC(=O)[C@@H]3COCCO3)C2)nn1 1058120911 ZFKMGHZGOQMISF-STQMWFEESA-N 317.349 -0.151 30 20 DBED COC(=O)NCC(=O)N1CC[C@@H](CCNC(=O)[C@H](C)C#N)C1 1059241539 SOTUXZQYTKQJMR-GHMZBOCLSA-N 310.354 -0.143 30 20 DBED CC(=O)NC(C)(C)C(=O)NC[C@@H]1COCCN1C(=O)[C@H](C)C#N 1061709562 VFFVQIHYINBOGB-ZYHUDNBSSA-N 324.381 -0.596 30 20 DBED C#CCCCC(=O)N1CCOC[C@@H]1CNC(=O)c1cnon1 1061806863 XJPPKIMVDPVZLK-NSHDSACASA-N 306.322 -0.170 30 20 DBED N#Cc1cccnc1N1C[C@@H]2C[C@H]1CN2C(=O)CCn1cnnn1 1062520977 FGUADQVFQWNCCM-STQMWFEESA-N 324.348 -0.180 30 20 DBED C#CCOCCC(=O)NCC1(NC(=O)[C@@H]2COCCO2)CCC1 1063038695 PEDATPHENOXGFZ-ZDUSSCGKSA-N 324.377 -0.403 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)C[C@H]2CCC(=O)N2)CCC1 1064306284 GBIWWPXLHGZLSS-WDEREUQCSA-N 306.366 -0.030 30 20 DBED N#Cc1nccc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)c2cnnc(O)c2)n1 1064310725 ZLHGTAMIJWRIKI-BFVZDQMLSA-N 323.316 -0.149 30 20 DBED Cc1nn[nH]c1C(=O)NC[C@@H]1CN(C(=O)C#CC(C)C)CCO1 1065126155 KLLNBHZHTBSPJU-GFCCVEGCSA-N 319.365 -0.270 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CN(C(=O)CN(C)C2CCC2)CCO1 1065270995 IGWIUNAHIJXZGJ-TZMCWYRMSA-N 322.409 -0.026 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)Cc2cnc[nH]2)CCO1 1065674986 JXNXJGLKYLNOOG-CYBMUJFWSA-N 322.365 -0.502 30 20 DBED C=CCCn1cc(C(=O)N(C)CCCN(C)C(=O)C(N)=O)nn1 1067513110 RNVMCIUFOXSOBU-UHFFFAOYSA-N 322.369 -0.740 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCCN(C)C(=O)[C@@H]1CCN(C)C1=O 1067982470 UBASPCANUHGPLC-RYUDHWBXSA-N 308.382 -0.069 30 20 DBED N#Cc1ccc(N2CCO[C@@]3(CCN(C(=O)C(N)=O)C3)C2)nc1 1068083428 BZWURLIKSGVXMN-HNNXBMFYSA-N 315.333 -0.754 30 20 DBED C#CCO[C@H](C)C(=O)N1CC2(CN(C(=O)COC)CCO2)C1 1068273526 ARPNJJURWRZHLQ-GFCCVEGCSA-N 310.350 -0.889 30 20 DBED C=CCC(C)(C)C(=O)NC[C@H]1CCC2(CN(C(=O)C(N)=O)C2)O1 1068575764 ULCPVCGCIHXFIC-LLVKDONJSA-N 323.393 -0.050 30 20 DBED Cc1n[nH]cc1C(=O)N1CC2(C[C@H](NC(=O)[C@H](C)C#N)CO2)C1 1069007667 JJZPJTKWOYSTFW-KOLCDFICSA-N 317.349 -0.023 30 20 DBED N#Cc1cnc(N[C@@H]2CCC[C@H]3CN(C(=O)C(N)=O)C[C@@H]32)cn1 1069318512 HEWMIKKWTDLHJW-ZMLRMANQSA-N 314.349 -0.127 30 20 DBED C=CCN1CCn2ncc(CNC(=O)[C@H]3CN(C)CCO3)c2C1 1069857011 VWRZQYLDPBKCQH-OAHLLOKOSA-N 319.409 -0.169 30 20 DBED C#CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2cn(C)nn2)C1 1069920392 KJTRGWYAINCLTB-YPMHNXCESA-N 314.353 -0.915 30 20 DBED N#CCN[C@@H]1CN(C(=O)[C@@H]2CCCOC2)C[C@@H]1n1ccnn1 1070156903 AHZJXVOMQOLEBQ-UPJWGTAASA-N 304.354 -0.430 30 20 DBED N#CCSCC(=O)N[C@@H]1CCCN(C(=O)c2cnn[nH]2)C1 1070962910 TXECCOSYDUWVAD-SECBINFHSA-N 308.367 -0.218 30 20 DBED C[C@H]1CN(C)C[C@H]1C(=O)N1CCC(=O)NCCN(CC#N)CC1 1071000036 LBAMMHZFMQKOSQ-UONOGXRCSA-N 321.425 -0.642 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)Cc2cncn2C)CC1 1071015376 AVIYZOYOGOXMAA-UHFFFAOYSA-N 319.409 -0.201 30 20 DBED C#CCN1CC[C@]2(C1)CN(C(=O)CS(C)(=O)=O)C[C@H](C)O2 1071144970 XVPCNWXHGZXNLX-JSGCOSHPSA-N 314.407 -0.644 30 20 DBED C=CCCOCC(=O)N[C@H]1CN(C(=O)CC(=O)NC)C[C@H]1C 1071970800 OFRSHVDFHSRGAH-NEPJUHHUSA-N 311.382 -0.322 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)[C@@H]2CCN(C(C)=O)C2)C1 1073871348 HGAYPSBTXKNJAD-HUUCEWRRSA-N 307.394 -0.305 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)c2cn(C)c(=O)n2C)C1 1073904080 BJHZWHNINRZHDN-GFCCVEGCSA-N 306.366 -0.822 30 20 DBED C=CCCC(=O)NCC1(O)CCN(C(=O)c2cnnn2C)CC1 1074569729 QPVARLHSLLJBGA-UHFFFAOYSA-N 321.381 -0.135 30 20 DBED C[C@@H](CCNC(=O)c1cc(C#N)c[nH]1)NC(=O)c1cnn[nH]1 1076074100 MVCBNPQWBYKUJO-QMMMGPOBSA-N 301.310 -0.057 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)N2C(=O)CCC2=O)C1 1077087640 OHDNXIDASYUOGW-IJLUTSLNSA-N 309.366 -0.739 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2CN(C[C@@H]3CCOC3)C[C@H]2O)c1 1077649824 HFRBYQPCXYYCIV-NUEKZKHPSA-N 315.373 -0.126 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2ccc(CCC(N)=O)cc2)C1 1077651130 TWOARFNNWJNFTB-ZIAGYGMSSA-N 316.361 -0.597 30 20 DBED C[C@@H](CCNC(=O)[C@H](C)C#N)NC(=O)COCc1nncn1C 1078136093 DMPMPEGULCDULO-MNOVXSKESA-N 322.369 -0.498 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN2C(=O)CCC)C1 1078222534 GGEKBCULPQIFKP-QLFBSQMISA-N 321.421 -0.038 30 20 DBED C=CCn1cc(C(=O)N2C[C@H]3CC[C@H]2[C@@H](NCC(N)=O)C3)nn1 1079057464 CYOCSFOTFDELQE-GVXVVHGQSA-N 318.381 -0.468 30 20 DBED C=C[C@](C)(O)CC(=O)N(CC)C1CN(C(=O)Cn2cnnn2)C1 1079684559 KXKNFYCDFOKHAA-AWEZNQCLSA-N 322.369 -0.941 30 20 DBED CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)Cn2cnnc2O)C1 1080411787 UFCSWILXJUTBET-VIFPVBQESA-N 306.326 -0.797 30 20 DBED C=C(C)C[C@H](C)C(=O)NC1(CO)CCN(C(=O)C(N)=O)CC1 1080956154 MJPNMZIVFQRACA-NSHDSACASA-N 311.382 -0.456 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)c2cncnc2)C[C@@H]1O 1081335790 PKQGHYGKCUVXOH-STQMWFEESA-N 304.350 -0.008 30 20 DBED C=C1CCC(C(=O)N2C[C@H](CNC(=O)CC(N)=O)[C@@H](O)C2)CC1 1081367911 IHRWJYLVEFFABG-STQMWFEESA-N 323.393 -0.456 30 20 DBED CC(C)C#CC(=O)N1C[C@H](CNC(=O)Cc2ncc[nH]2)[C@@H](O)C1 1081693849 XUDYUFYDBFFCBJ-STQMWFEESA-N 318.377 -0.453 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccnn2C)[C@H](OC)C1 1081972801 OPNYSHKMPJLWSB-RGCMKSIDSA-N 302.378 -0.028 30 20 DBED C=CCOCC(=O)NC[C@@H]1CCCCN1C(=O)[C@@H]1CNC(=O)N1 1082260105 KGQHZSYZBGEDAJ-RYUDHWBXSA-N 324.381 -0.632 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1cn2nccc2nc1C 1082287042 ZGPJJWFVKWUREZ-CHWSQXEVSA-N 314.349 -0.010 30 20 DBED C=CCCN1C[C@@H](NC(=O)C[C@@H]2CC(=O)NC2=O)[C@H](OC)C1 1082401640 WGDPYXBWMYJIEG-IJLUTSLNSA-N 309.366 -0.569 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CC(=O)N(CC(C)C)C2)C1 1083503445 ROIQNMUZEJKBDD-MCIONIFRSA-N 307.394 -0.715 30 20 DBED Cn1ncc2c1C[C@H](C(=O)N[C@@H]1CN(CC#N)C[C@@H]1O)CC2 1083728100 FULLMNLOMIVCRI-QKCSRTOESA-N 303.366 -0.790 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)CN2C(=O)Cc3ccccc32)C1 1083813463 MBDBLMLVTOXONO-OCCSQVGLSA-N 314.345 -0.739 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)c2nnn(C)c2C(F)(F)F)C1 1083843692 ULBJZPIMMSRXER-SFYZADRCSA-N 319.287 -0.205 30 20 DBED N#Cc1ccccc1CN1C[C@H](O)[C@H](NC(=O)c2cnon2)C1 1083877965 VWPOAGOSYLZYHR-KGLIPLIRSA-N 313.317 -0.084 30 20 DBED C=CCn1cc(C(=O)N(C)C[C@H]2CCN2[C@H](C)C(=O)NC)nn1 1085861255 UJVOUQZPZZIDEE-VXGBXAGGSA-N 320.397 -0.255 30 20 DBED C#CCN1CC[C@H](NC(=O)[C@@H]2Cc3cncn3C(=O)N2)[C@H]1CC 1087667310 QVGLJCBUBHBSJX-MELADBBJSA-N 315.377 -0.032 30 20 DBED CC#CCN1C[C@H]2[C@@H]3CC[C@@H](CN3C(=O)Cn3cnnn3)[C@H]2C1 1089770575 SVIJDTMTJYEILZ-YJNKXOJESA-N 314.393 -0.135 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2cc(C(N)=O)ccn2)[C@@H](O)C1 1090858732 PMEWDYHGJNLGRG-JSGCOSHPSA-N 316.361 -0.631 30 20 DBED C#CCOCCC(=O)N[C@H]1CCN(c2cc(F)ncn2)C[C@@H]1O 1092164507 NCTNQXOLJFNCBU-RYUDHWBXSA-N 322.340 -0.289 30 20 DBED C=CCN1CC2(C[C@H](NC(=O)[C@@H]3CCNC3=O)c3nccn32)C1 1092384801 LZUNZXOVWOAGBF-NEPJUHHUSA-N 315.377 -0.223 30 20 DBED COC[C@@H](OC)C(=O)N1CCN(c2ccnc(C#N)n2)CC1 1093193209 FXIOGSIPXHGUSG-LLVKDONJSA-N 305.338 -0.342 30 20 DBED Cc1cc(NC(=O)C(=O)NCCNc2cnc(C#N)cn2)no1 1093650209 IEFMJZMXCXATGM-UHFFFAOYSA-N 315.293 -0.189 30 20 DBED C=CCO[C@@H](C)C(=O)NCCN=c1cc[nH]c(C(=O)OC)n1 1093693922 SKDDWJFSSYSRFR-JTQLQIEISA-N 308.338 -0.196 30 20 DBED N#Cc1ccc(NCCNC(=O)[C@@H]2CCCN2C(N)=O)nn1 1093708446 SNJIJGANTGQMNJ-JTQLQIEISA-N 303.326 -0.581 30 20 DBED CN(C)C(=O)C1(C(=O)NCCNc2cnc(C#N)cn2)CC1 1093852547 OGOLRJJHDKZJLS-UHFFFAOYSA-N 302.338 -0.255 30 20 DBED Cc1ccc(C#N)c(NCCNC(=O)CN2CCNC(=O)C2)n1 1094056936 GTHUJOUODOYPCP-UHFFFAOYSA-N 316.365 -0.778 30 20 DBED C#CCN1CC(n2cc(CNC(=O)[C@@H]3CCN(C)[C@@H]3C)nn2)C1 1094293652 YOKRVPIUTPZPLD-IUODEOHRSA-N 316.409 -0.276 30 20 DBED C#CCNC(=O)CC(=O)NCCCNc1ccc(C#N)nn1 1094372376 AXESIFULSVOMJQ-UHFFFAOYSA-N 300.322 -0.594 30 20 DBED C[C@@]1(C(=O)NCCCN=c2cc[nH]c(C#N)n2)CNC(=O)C1 1094670648 KEPDTYBOPIKDJO-AWEZNQCLSA-N 302.338 -0.785 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)c3cncnc3C)CC2=O)C1 1094705262 JJSGKHMJHDSJBI-GFCCVEGCSA-N 313.361 -0.567 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)c3cc(OC)no3)CC2=O)C1 1094726848 BDPWMZRUPPHQAM-JTQLQIEISA-N 318.333 -0.669 30 20 DBED C#CCCN1CC(N2C[C@@H](NC(=O)Cc3ncc[nH]3)CC2=O)C1 1094803489 MXGWMYPYNPFVSG-LBPRGKRZSA-N 315.377 -0.623 30 20 DBED CC(=O)N1CC(C(=O)NCCCN(C)c2ccnc(C#N)n2)C1 1095535225 CWZAVXOENJJCSN-UHFFFAOYSA-N 316.365 -0.231 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CCN(c2cncc(Cl)n2)C1 1096359924 JDHXJYJLAJPRFD-JTQLQIEISA-N 321.768 -0.036 30 20 DBED Cc1cc(=N[C@H](CNC(=O)CNC(N)=O)C2CC2)c(C#N)c[nH]1 1096565321 JDDRQAAYXZDCBD-CYBMUJFWSA-N 316.365 -0.341 30 20 DBED C#CCCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1CCN(C)C(=O)C1 1097373765 WHDRHBZRQUZRSN-KFWWJZLASA-N 318.421 -0.495 30 20 DBED C[C@@H](CNC(=O)[C@@H]1COCCN1C)Nc1cnc(C#N)cn1 1097765075 NDUFCOBSARWILE-JQWIXIFHSA-N 304.354 -0.405 30 20 DBED CCOCCOCC(=O)NC[C@@H](C)N=c1cc[nH]c(C#N)n1 1097906612 VJFJYDLIEDGYNH-LLVKDONJSA-N 307.354 -0.260 30 20 DBED C[C@H](CNC(=O)C1CS(=O)(=O)C1)Nc1cncc(C#N)n1 1098071038 LUJIZNJMPFPIEM-MRVPVSSYSA-N 309.351 -0.691 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)[C@@H]1CCNC1=O)C[C@H](C)O2 1098619274 AKQHUOMOJGSASI-UONOGXRCSA-N 319.405 -0.162 30 20 DBED N#CCNCc1cn([C@@H]2CCN(C(=O)[C@]3(F)CCOC3)C2)nn1 1098706314 XXTAULYTIPLDRL-OCCSQVGLSA-N 322.344 -0.207 30 20 DBED C[C@H](CCNC(=O)[C@@H]1COCCN1C)Nc1cnc(C#N)cn1 1099021176 NCFLXVBKWFKJCO-YPMHNXCESA-N 318.381 -0.014 30 20 DBED C=CCN1C[C@@H]2CCC[C@]2(NC(=O)Cn2c(O)nnc2O)C1 1099138410 IOPALQFPZKXAPC-HZMBPMFUSA-N 307.354 -0.154 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)Cc2ccnn2C)[C@@H](O)C1 1099794028 GTEPFANVQJHKOR-CABCVRRESA-N 322.409 -0.283 30 20 DBED CC(C)(C)C(=O)NCCC(=O)N[C@@H]1CCN(CC#N)C[C@@H]1O 1099942391 RBRMSEHVAOWZRX-NEPJUHHUSA-N 310.398 -0.386 30 20 DBED CC1(C(=O)N[C@H]2CCN(CC(=O)NCC#N)C[C@@H]2O)CCC1 1099944833 RLIFHCBFAGLCTF-RYUDHWBXSA-N 308.382 -0.632 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)Cn2nccc2C)[C@H](O)C1 1100022583 OGFBTMXKMQPJIZ-HUUCEWRRSA-N 320.393 -0.607 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2ccncn2)[C@H](O)C1 1100039789 VVSQSSFNVKNZJF-GXTWGEPZSA-N 304.350 -0.709 30 20 DBED CN(CCNC(=O)CN1CCCCC1=O)c1cnc(C#N)cn1 1100402296 YOOGBGCLQOVWOS-UHFFFAOYSA-N 316.365 -0.087 30 20 DBED C[C@@H]1CN(C)C[C@H](C(=O)NCCN(C)c2ccc(C#N)nn2)O1 1100407474 WKWCHTHJKNZGBD-DGCLKSJQSA-N 318.381 -0.380 30 20 DBED COC(=O)NCC(=O)NC[C@@H]1CCCN1c1ccc(C#N)nn1 1100802193 ISOYTQZVQNYAQK-NSHDSACASA-N 318.337 -0.211 30 20 DBED C#CCN1CCC(C(=O)NCC2CC(NCC(=O)NC)C2)CC1 1101025061 UAKUWLDFQUNSDD-UHFFFAOYSA-N 320.437 -0.438 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)[C@@H](C)OCC)C1 1101752138 NJWHPYMBRPGLEQ-MGPQQGTHSA-N 309.410 -0.155 30 20 DBED CO[C@H](C(=O)N(C)CCN=c1cc[nH]c(C#N)n1)[C@H]1CCOC1 1101881929 RRICTEDNDDURQK-FZMZJTMJSA-N 319.365 -0.308 30 20 DBED C#CCN1C[C@@H](C)[C@H](CNC(=O)CN(C)CC(=O)NC(C)C)C1 1102121618 HGCCGYUZOIIAMA-HUUCEWRRSA-N 322.453 -0.240 30 20 DBED CC(=O)N[C@H](C)C(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1C#N 1102538328 WFGLPPIHHPRAIX-USWWRNFRSA-N 314.349 -0.338 30 20 DBED C#CCN1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCS(=O)(=O)N2)C1 1103730343 MFZOVRDPFVFTFY-UPJWGTAASA-N 313.423 -0.615 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)[C@@H](C)n1cncn1 1103923061 QHXMWAOHKZCAMR-GHMZBOCLSA-N 314.353 -0.213 30 20 DBED C[C@H](CNC(=O)CCNC(N)=O)CNc1nccnc1C#N 1103967574 JAFIXXBUPVTRPD-SECBINFHSA-N 305.342 -0.429 30 20 DBED C[C@H](CNC(=O)[C@@H]1CCC(=O)N1)CNc1cncc(C#N)n1 1104034354 DJMRNGNSDWZNIA-ONGXEEELSA-N 302.338 -0.209 30 20 DBED C[C@H](CNc1cnc(C#N)cn1)N(C)C(=O)C1CS(=O)(=O)C1 1104698487 YJHXJWGKIXRKKN-SECBINFHSA-N 323.378 -0.348 30 20 DBED C=CCNCC[C@@H]1CN(C(=O)Cn2c(O)nnc2O)C[C@H]1C 1104955280 RCEKVPBRQCOXRX-GHMZBOCLSA-N 309.370 -0.051 30 20 DBED N#CCNCc1cn(C2CN(C(=O)c3c[nH]c(C#N)c3)C2)nn1 1105217855 OLRLYCQOMOWIAH-UHFFFAOYSA-N 310.321 -0.212 30 20 DBED C=CCNCc1cn(C2CN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C2)nn1 1105308265 LAXCSEYGDRUBBN-WDNDVIMCSA-N 303.366 -0.171 30 20 DBED Cc1ccc(C#N)c(NC[C@@H](O)CNC(=O)Cn2cncn2)n1 1105839084 MFTHAPVZPAZHHI-LBPRGKRZSA-N 315.337 -0.558 30 20 DBED COCCOCCC(=O)NC[C@H](O)CNc1ccc(C#N)nn1 1105880718 IYOBTXGQUKZLRM-GFCCVEGCSA-N 323.353 -0.710 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H](O)CNC(=O)Cc1cscn1 1106127200 VOILVGVCWYYYMB-LBPRGKRZSA-N 317.374 -0.037 30 20 DBED Cc1ccnn1CC(=O)NC[C@H](O)CNc1cnc(C#N)cn1 1106134206 RQMCJFXYUQZKAY-GFCCVEGCSA-N 315.337 -0.558 30 20 DBED C[C@H](CN=c1cc[nH]cc1C#N)NC(=O)CN1CCCC1=O 1107636234 HBFYKDYYDBMHKX-LLVKDONJSA-N 301.350 -0.086 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)CN1CCOCC1 1107711191 ZWJRVSAXGMLRQW-LLVKDONJSA-N 304.354 -0.981 30 20 DBED C[C@H](CNc1cnc(C#N)cn1)NC(=O)[C@H]1CCN(C)C1=O 1108071042 AVWOGDHSZBGJCY-MWLCHTKSSA-N 302.338 -0.257 30 20 DBED C=CCOCCN1CCO[C@@](C)(CNC(=O)c2nc[nH]n2)C1 1108287574 WIIHMIRZYHJZBH-AWEZNQCLSA-N 309.370 -0.172 30 20 DBED N#CCNC(=O)CN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cnon1)C2 1108780490 CRHKLYGWWYNSKM-DCAQKATOSA-N 318.337 -0.708 30 20 DBED CC#CCN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN1C(=O)CNC1=O)C2 1108813314 MUBLVOIUDYGTDU-AVGNSLFASA-N 318.377 -0.469 30 20 DBED CN(CCCNc1ccc(C#N)nn1)C(=O)[C@H]1CCC(=O)N1 1109392322 AIVHIKOAQMHGLJ-LLVKDONJSA-N 302.338 -0.113 30 20 DBED CC(C)C#CC(=O)N[C@H]1[C@H]2C[C@H]1N(c1ccc3nnnn3n1)C2 1109705849 ONSHFANLZXAKFE-RWSFTLGLSA-N 311.349 -0.128 30 20 DBED N#Cc1cncc(N2CCC(F)(F)[C@H](CNC(=O)C(N)=O)C2)n1 1111014474 UGSQUMQYANEYJB-MRVPVSSYSA-N 324.291 -0.589 30 20 DBED N#Cc1nccc(N2CC[C@@](O)(CNC(=O)[C@H]3CCCO3)C2)n1 1111031004 BDERSLMFSVDHPI-IAQYHMDHSA-N 317.349 -0.415 30 20 DBED N#Cc1nccnc1N1CC[C@](O)(CNC(=O)[C@H]2CCOC2)C1 1111044502 ZFBAYXDSKRCTNJ-NHYWBVRUSA-N 317.349 -0.558 30 20 DBED C#CCOCCC(=O)N(C)[C@H]1CN(c2ccc(C)nn2)C[C@@H]1O 1111190778 RMAZHSONWNSIQU-KBPBESRZSA-N 318.377 -0.167 30 20 DBED COc1ccnc(N2CCOC[C@H]2CNC(=O)[C@@H](C)C#N)n1 1111661893 YIFAKCNJVIINAZ-WDEREUQCSA-N 305.338 -0.034 30 20 DBED CN(CCCN(C)c1cnc(C#N)cn1)C(=O)[C@@H]1COC(=O)N1 1112074972 DVDBSWYQLHQAGK-NSHDSACASA-N 318.337 -0.259 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(c2nc(C)ns2)C[C@@H]1O 1112702018 NIVBXXLGNFNWDC-MNOVXSKESA-N 312.395 -0.038 30 20 DBED C[C@H](NC(=O)Cn1ncnn1)[C@@H](C)Nc1ccc(C#N)nn1 1113193899 MWMCFCYMQIUCQE-BDAKNGLRSA-N 301.314 -0.660 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)c2cnc(C)n2C)CC1 1113258058 WVKHBBQEWSSEPE-GFCCVEGCSA-N 317.393 -0.376 30 20 DBED CC(C)[C@H](C(=O)N1CCN(CC(=O)NCC#N)CC1)N(C)C 1113305151 CPJUEUQHFYJEGK-CQSZACIVSA-N 309.414 -0.643 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)CCCN(C)C(C)=O)CC1 1113590195 XBEPVUQHMCAELX-UHFFFAOYSA-N 322.409 -0.862 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)c3cc(C)no3)[C@@H]2C1 1113852770 QXNONHHRFOWSBX-GHMZBOCLSA-N 302.334 -0.608 30 20 DBED C[C@H](C(=O)NC1CC1)N1C[C@H]2[C@H](NC(=O)CSCC#N)[C@H]2C1 1113899846 VQXNOZDDZDBVNR-WUWHUORYSA-N 322.434 -0.043 30 20 DBED C=CCCO[C@H](C)C(=O)NC1[C@H]2CN(CC(=O)NCC#N)C[C@H]12 1113996757 ZOQGSAFYVFOFEN-AGIUHOORSA-N 320.393 -0.346 30 20 DBED C=C(C)CN1C[C@H]2[C@H](NC(=O)[C@@H](C)NS(=O)(=O)CC)[C@H]2C1 1114311744 SPRMMNIUAQFVCQ-NDBYEHHHSA-N 315.439 -0.063 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)[C@H]3CCCC(=O)N3)[C@@H]2C1 1114445274 NEJDWGJOHAKMFF-JHJVBQTASA-N 305.378 -0.649 30 20 DBED CC(=O)N[C@@H](C)C(=O)N[C@@H](C)CCCN=c1cc[nH]c(C#N)n1 1114855367 XCVGYKFWGNSWFQ-QWRGUYRKSA-N 318.381 -0.008 30 20 DBED C[C@H](CCCN=c1cc[nH]c(C#N)n1)NC(=O)[C@H]1CCNC1=O 1115050589 QQPLVOFUHHCISY-MNOVXSKESA-N 316.365 -0.397 30 20 DBED Cc1cc(=N[C@@H](CO)CNC(=O)c2cnccn2)c(C#N)c[nH]1 1121036799 PXRNIJDJXANKMN-GFCCVEGCSA-N 312.333 -0.324 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)[C@H]2COCCO2)nc1 1121142216 BFVBTRFMQMXIRR-NWDGAFQWSA-N 306.322 -0.742 30 20 DBED COc1ccnc(N[C@@H](CO)CNC(=O)c2c[nH]c(C#N)c2)n1 1121353728 WLHKEVLZLYBJFM-LLVKDONJSA-N 316.321 -0.112 30 20 DBED CCCN(C)CCC(=O)NC[C@@H](CO)Nc1ccc(C#N)nn1 1121841192 ZGVMQBVIBKSING-ZDUSSCGKSA-N 320.397 -0.031 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H](CO)Nc1cc(COC)ncn1 1122037131 UGFVKZJWOSOPTC-YPMHNXCESA-N 322.365 -0.450 30 20 DBED C[C@@H](NC(=O)NC1CCN(CC#N)CC1)[C@H]1CN(C)CCN1C 1123598628 DLELVWIJZUKJMB-UKRRQHHQSA-N 322.457 -0.092 30 20 DBED Cc1c[nH]c(C(=O)N(C)C[C@@H](O)CNc2nccnc2C#N)n1 1124828038 HKSGHTCPWROMLI-JTQLQIEISA-N 315.337 -0.075 30 20 DBED C=CCOCCCC(=O)NCCN[C@H](C)C(=O)NC(N)=O 1125261565 XCKGJFRCUCPCRM-SNVBAGLBSA-N 300.359 -0.742 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)Cc1ccoc1 1126154084 VXDNYLDUKSGJEE-NSHDSACASA-N 322.365 -0.072 30 20 DBED C#CCO[C@@H](C)C(=O)NCCNCC(=O)Nc1cc(C)nn1C 1127051344 GOTBKZOGDBLUOO-LBPRGKRZSA-N 321.381 -0.589 30 20 DBED CNC(=O)NCCC(=O)NCc1cnn2c1CN(CC#N)CC2 1128347560 YVNWTCFAQIFCQI-UHFFFAOYSA-N 319.369 -0.842 30 20 DBED C=C[C@@](C)(CC)C(=O)N[C@@H]1CN(CC(N)=O)C[C@@H]1n1ccnn1 1129239162 RAJUHZPTEZKITD-XUJVJEKNSA-N 320.397 -0.293 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1ccc(N(C)C)cc1F 1129386916 QSBOMEJUNITLSM-UHFFFAOYSA-N 320.368 -0.040 30 20 DBED C=CCCN[C@@H]1CN(C(=O)CNC(=O)OC)C[C@@H]1n1ccnn1 1129638484 ZZJCVVFSXJNBCS-NEPJUHHUSA-N 322.369 -0.448 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](NCC)[C@H](c2cncn2C)C1 1130975527 CGUKTCSSWSJXEW-CHWSQXEVSA-N 317.393 -0.537 30 20 DBED C[C@@H](OCC1CC1)C(=O)N1CCC(=O)NCCN(CC#N)CC1 1131344720 FQUZAYWEXZXBSF-CYBMUJFWSA-N 322.409 -0.024 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1cc(=O)c(OC)co1 1131360478 DZAGWHREZMKRQF-JTQLQIEISA-N 321.333 -0.894 30 20 DBED C#CCNC(=O)CN1C[C@H](NC(=O)c2cnn(C)c2)CC[C@H]1C 1131772929 VRWCFVDSDSLXIX-TZMCWYRMSA-N 317.393 -0.248 30 20 DBED C#CCNC(=O)CN1C[C@H](NC(=O)c2cnns2)CC[C@H]1C 1131835552 YREBDHHLTRLWIC-GHMZBOCLSA-N 321.406 -0.130 30 20 DBED C=CCNC(=O)CN1C[C@H](NC(=O)c2nc[nH]n2)CC[C@H]1C 1132369442 XGMYBAWINVSGOJ-GHMZBOCLSA-N 306.370 -0.310 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)[C@H](F)CC 1132447184 VXRPOBWYYNASPV-VHSXEESVSA-N 302.350 -0.159 30 20 DBED N#Cc1ccc(CNCCNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)s1 1133774340 VXIOVMKPCGSJKO-NWDGAFQWSA-N 322.390 -0.142 30 20 DBED C[C@@H](C[C@H](C)NC(=O)Cc1cnoc1)NCC(=O)NCC#N 1135261738 FAAJAYVLDLVSLF-QWRGUYRKSA-N 307.354 -0.270 30 20 DBED C[C@@H](C[C@H](C)NC(=O)c1cn(C)c(=O)n(C)c1=O)NCC#N 1135613693 HMUOCYZQVFEKRS-UWVGGRQHSA-N 307.354 -0.906 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)c1ncccn1 1135731069 WNWUVTZDCVQWLG-VXGBXAGGSA-N 303.366 -0.288 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1cnn(C(F)F)c1 1135790538 FWTWCVDJVHQRIJ-UHFFFAOYSA-N 301.297 -0.100 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1cn2nccc2nc1C 1136041908 YSRCUXPWPPRFQK-UHFFFAOYSA-N 316.365 -0.341 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC2(CCN(CCOCCO)C2)C1 1147422524 POHKVTZFNKIQQP-HNNXBMFYSA-N 312.410 -0.143 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@](C)(NC(C)=O)C1CC1 1147466371 JZZHRDFUKWAMGS-OAHLLOKOSA-N 310.398 -0.701 30 20 DBED C#CCO[C@H](C)C(=O)N1CC2(CCN([C@H]3CCNC3=O)C2)C1 1147529825 BMICVPYPHYAFKW-OLZOCXBDSA-N 305.378 -0.553 30 20 DBED C#CCN1CCC2(C1)CN(C(=O)CS(=O)(=O)CCOC)C2 1147793935 SQPHBMDFLJEZPF-UHFFFAOYSA-N 314.407 -0.785 30 20 DBED N#CCNC(=O)CNCCNC(=O)Cn1cc2ccccc2n1 1148264040 INVMHJCOHCJJAM-UHFFFAOYSA-N 314.349 -0.618 30 20 DBED C#Cc1ccc(C(=O)NCCN[C@H](C)C(=O)NC(=O)NC)cn1 1148389705 RJTSOKYWBIIZMC-SNVBAGLBSA-N 317.349 -0.774 30 20 DBED C=CCN1CCCO[C@H](CNC(=O)[C@@H](C)S(C)(=O)=O)C1 1149904062 QGDDLCWFHSANNF-VXGBXAGGSA-N 304.412 -0.187 30 20 DBED C#CCCN1CCCO[C@@H](CNC(=O)[C@]2(C)CCC(=O)N2)C1 1150276031 HFONSCPTMTVMCC-BBRMVZONSA-N 307.394 -0.115 30 20 DBED C=CCCC(=O)NC[C@@H](C)N(CC)CC(=O)N1CCNC(=O)C1 1152352961 QGPOYULXSFQBJP-CYBMUJFWSA-N 324.425 -0.262 30 20 DBED C=CCCOCC(=O)NCCNCC(=O)NCCOCC 1153081839 ZBRDHXLYPRQGGN-UHFFFAOYSA-N 301.387 -0.562 30 20 DBED C=CCO[C@@H](C)C(=O)NCCNCC(=O)NC(=O)NCCC 1153134514 DIFYSYAQTGQFPT-NSHDSACASA-N 314.386 -0.481 30 20 DBED C=CCO[C@@H](C)C(=O)NCCNCCOCCNC(C)=O 1153149013 QGOXHBWVHHEKIT-LBPRGKRZSA-N 301.387 -0.564 30 20 DBED C=CCO[C@H](C)C(=O)NCCN[C@@H](C)C(=O)NC(=O)NC 1153161693 ZXXXISKTZOAEIP-VHSXEESVSA-N 300.359 -0.873 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCCNCC(=O)NC(C)C 1160197724 DRTFAIVHDNXGHD-AWEZNQCLSA-N 308.426 -0.296 30 20 DBED C=CCNC(=O)CNCCCNC(=O)CN1CCCCC1=O 1161715556 OWZLGBLYKVGFCZ-UHFFFAOYSA-N 310.398 -0.603 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)C[C@@H]1CCC(=O)N1C 1163800585 DVBZKJIASYCWMG-OLZOCXBDSA-N 324.425 -0.216 30 20 DBED C=CCCn1cc(C(=O)NCCCN[C@H]2CCNC2=O)nn1 1167990789 BXNSXCZSKWHAPI-NSHDSACASA-N 306.370 -0.548 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)c2cc[nH]n2)[C@H]1C 1178160796 RTWOVRVCACBKBK-SRVKXCTJSA-N 303.366 -0.260 30 20 DBED CC#CCN[C@H]1CCN(C(=O)COCc2nncn2C)[C@H]1C 1179825297 JFKBFZBZMJYUFD-STQMWFEESA-N 305.382 -0.066 30 20 DBED C=CCCN[C@@H]1CCN(C(=O)[C@@H](CCC(N)=O)NC(C)=O)C1 1186377338 PRWDWWXANJZEMS-CHWSQXEVSA-N 310.398 -0.477 30 20 DBED CN(C)C(=O)CC(=O)N1C[C@@H](CNCC#N)C2(CCOCC2)C1 1186513255 PDZGSTDGHUJINX-CYBMUJFWSA-N 322.409 -0.167 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)C[C@@](C)(O)C2CC2)C1 1189696523 ZNAAJJAWYIGFEB-WMLDXEAASA-N 321.421 -0.180 30 20 DBED C#CCN1C[C@@H]2CCN(C(=O)CCS(=O)(=O)N(C)C)[C@@H]2C1 1190311360 BTLDNLFHRLVVPW-QWHCGFSZSA-N 313.423 -0.566 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(Cc2nc(C3CC3)no2)C[C@H]1O 1191771766 PYVATVVQFVZHQJ-VXGBXAGGSA-N 322.365 -0.189 30 20 DBED CC(C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1O)=C1CCC1 1192732191 XUWQJIKDJNMFLF-CHWSQXEVSA-N 306.366 -0.712 30 20 DBED C=CCCCN(C)[C@@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 1194256447 QRCJIQBWQDDLSL-GFCCVEGCSA-N 320.397 -0.124 30 20 DBED CCOCCCC(=O)N1CCCN(CC(=O)NCC#N)CC1 1194983730 OQLAGKUCOZZOLX-UHFFFAOYSA-N 310.398 -0.023 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)COCc2nncn2C)C1 1197382043 RBMYABBUYUOMPX-VXGBXAGGSA-N 309.370 -0.931 30 20 DBED C=CCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H](CCC)NC(N)=O)C1 1198179607 NSEUZSFEIZNUSR-JHJVBQTASA-N 312.414 -0.049 30 20 DBED COCC#CCNC[C@H]1CN(C(=O)[C@H]2CCCN2C)CCCO1 1200123020 KHZVGKSRHHXUOB-JKSUJKDBSA-N 323.437 -0.063 30 20 DBED C=CCOCCNC[C@@H]1CN(C(=O)Cn2ncnn2)CCCO1 1200520271 RQQAACBAKAWLOG-CYBMUJFWSA-N 324.385 -0.917 30 20 DBED C=C(C)CCNC[C@H]1CN(C(=O)c2nnn(C)n2)CCCO1 1201185621 CBHCGROWUAQMIL-LBPRGKRZSA-N 308.386 -0.003 30 20 DBED C[C@H]1CCCN(C(=O)C(=O)N2CCCO[C@@H](CNCC#N)C2)C1 1201576800 OSTCAZQYKOXTJX-KBPBESRZSA-N 322.409 -0.024 30 20 DBED CCn1cnc(C(=O)N2CCC(NCC(=O)NCC#N)CC2)c1 1203355095 MDIXTBOZVAZSAF-UHFFFAOYSA-N 318.381 -0.263 30 20 DBED CN1CC[C@H](C(=O)N2CCC(NCC(=O)NCC#N)CC2)C1 1203692078 DARCUGWDQPYGKD-LBPRGKRZSA-N 307.398 -0.842 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC(CNCc2nnn(C)n2)CC1 1205266209 ZCEHRMLGVWCKEP-LBPRGKRZSA-N 320.397 -0.423 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)c1cccnc1 1205749488 PUOHUGUSUHCXKR-DGCLKSJQSA-N 301.350 -0.229 30 20 DBED COCC#CCN[C@H]1CCCN(C(=O)[C@@H]2CCC(=O)N2C)C1 1209052155 MGTQQXAIEPCETF-KBPBESRZSA-N 307.394 -0.162 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)C2CC3(CC3)C2)[C@H](OC)C1 1213423007 FOTSHKWSTPMYQA-ZIAGYGMSSA-N 319.405 -0.259 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)c2nc(C)c[nH]2)[C@H](OC)C1 1213550747 AIRIECQOWDOOQM-VXGBXAGGSA-N 321.381 -0.551 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)c2ccc(O)nn2)C[C@H]1C 1214102841 SSBJXUXNRVODNB-ZYHUDNBSSA-N 319.365 -0.466 30 20 DBED C[C@H]1CCN(CC(=O)N2C[C@@H](NCC(=O)NCC#N)[C@H](C)C2)C1 1215544238 LZZXZZNSQUUBGQ-BFHYXJOUSA-N 321.425 -0.596 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)[C@@H]2CCN(C(C)=O)C2)C[C@H]1C 1216602498 OTBGRPORKCZTNQ-FVQBIDKESA-N 321.421 -0.059 30 20 DBED C#CCCCC(=O)N1CCO[C@@H]2CN(Cc3nnn(C)n3)C[C@@H]21 1217759004 XOEXNXZTYKBAOC-QWHCGFSZSA-N 318.381 -0.575 30 20 DBED N#CCSCC(=O)N[C@@H]1CN(CCn2cccn2)C[C@@H]1O 1219218456 SBKQLCSQTUJZGN-NEPJUHHUSA-N 309.395 -0.699 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)[C@@H](C)Cc2cnc[nH]2)C1 1220518927 SKARXGRFNHQVMH-CFVMTHIKSA-N 322.409 -0.048 30 20 DBED COC(=O)[C@@H]1C[C@@H]1C(=O)NC1CCN(CC(=O)NCC#N)CC1 1226471974 WROYVRGGFKXGJX-NWDGAFQWSA-N 322.365 -0.984 30 20 DBED CO[C@H]1CS(=O)(=O)C[C@@H]1NS(=O)(=O)CCCCC#N 1261580314 NXSQQCLHLFTVSC-UWVGGRQHSA-N 310.397 -0.588 30 20 DBED N#Cc1cn(CC(=O)Nc2ccnc3ccnn23)c(=O)nc1O 1293901186 ZVWWBDPAIGPOGC-UHFFFAOYSA-N 311.261 -0.498 30 20 DBED COC[C@](C)(C#N)NC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 1319730527 BNSYVBBJJNXPLW-HFWJBDJDSA-N 321.333 -0.806 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N[C@H](C)CO[C@@H]1CCOC1 1323413509 LOEPWDSOMAGNDA-ZIAGYGMSSA-N 306.362 -0.218 30 20 DBED C#C[C@@H](NC(=O)C(=O)N(C)CCCC(=O)NC)[C@@H]1CCCO1 1323528563 RCHSQWUZDLZYJH-NEPJUHHUSA-N 309.366 -0.732 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)NCCCN1CCCCC1=O 1323782913 WKGJSDGTJCYLNI-LBPRGKRZSA-N 311.382 -0.178 30 20 DBED N#CC1CCC(CNC(=O)C(=O)N2CC[C@@H](NC(N)=O)C2)CC1 1324189210 JEMNEVLTZYOELG-HTAVTVPLSA-N 321.381 -0.298 30 20 DBED N#Cc1cccc(NC(=O)C(=O)N2CCC[C@@H](C(N)=O)C2)n1 1326361056 FLERQFUKGJSZTO-SECBINFHSA-N 301.306 -0.384 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)COCc2nncn2C)C1=O 1326464453 DBINPIZNNGWFBJ-LLVKDONJSA-N 307.354 -0.423 30 20 DBED CN(CCNS(C)(=O)=O)CC(=O)NC1(C#N)CCCCC1 1328227058 WJMGLQIKTNSYEW-UHFFFAOYSA-N 316.427 -0.190 30 20 DBED C#CC1CCN(C(=O)C(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)CC1 1328315297 GWJJVFGIAXBLLK-RYUDHWBXSA-N 307.350 -0.993 30 20 DBED C=CCCC[C@@H](C)NC(=O)C(=O)N1C[C@H]2C(=O)N(C)C(=O)[C@H]2C1 1330164508 XSOOVAZAXHZUQX-UTUOFQBUSA-N 321.377 -0.079 30 20 DBED C#CCN(C(=O)C(=O)N1CCO[C@@H](CNC(C)=O)C1)C(C)C 1336496282 NSZTUGAXGUDHLA-ZDUSSCGKSA-N 309.366 -0.780 30 20 DBED C=CCNC(=O)Cn1nnnc1N1CCC(N(C)C(C)=O)CC1 1337172290 FEBSUQIOKCWVFR-UHFFFAOYSA-N 321.385 -0.578 30 20 DBED CNC(=O)c1ccc(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)cc1 1338670351 BUHQMTWIKQJPEO-LBPRGKRZSA-N 316.317 -0.264 30 20 DBED C[C@H](C#N)CNC(=O)C(=O)Nc1ccn(C(C)(C)C(=O)O)n1 1347045944 KAHQXRJFIUKPPI-MRVPVSSYSA-N 307.310 -0.083 30 20 DBED C=CCCN(C)C(=O)C(=O)NC[C@H]1CC[C@H](C(=O)N(C)C)O1 1347193749 IVJCGYPXRLFPIL-VXGBXAGGSA-N 311.382 -0.227 30 20 DBED N#CCCC[C@@H](N)C(=O)N1CCC[C@@H](N2CCNCC2=O)C1 1349170432 RWGFLOZIHPWQAK-CHWSQXEVSA-N 307.398 -0.570 30 20 DBED CCOCCN1CCN(C(=O)C(=O)N2CCC[C@H](C#N)C2)CC1 1352920654 SKQFKYBZSVJNPL-CQSZACIVSA-N 322.409 -0.071 30 20 DBED CN1CC[C@]2(CCN(C(=O)Cn3cc(C#N)c(O)nc3=O)C2)C1 1363109220 OPWNPZYGBXFYOD-HNNXBMFYSA-N 317.349 -0.625 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)CN2CCCCS2(=O)=O)C1 1363130988 XZRXDAKXXMNPJW-GFCCVEGCSA-N 301.368 -0.711 30 20 DBED CN1CCCC[C@H]1CNS(=O)(=O)N1CCO[C@H](C#N)C1 1364051096 BZUXFXPAQANIOJ-NWDGAFQWSA-N 302.400 -0.471 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](NC(=O)CCS(C)(=O)=O)C1 1372284632 ZGDKGKJZSRHJEN-NXEZZACHSA-N 301.368 -0.702 30 20 DBED C[C@H](C#N)C(=O)NCc1nc(O)cc(CNCC(=O)N(C)C)n1 1375608454 XRROYPUIYDIRDD-SECBINFHSA-N 320.353 -0.864 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCN(C)C(=O)C[C@@H]1CCC(=O)NC1 1376310501 SSRCBQVTSPGRKC-RYUDHWBXSA-N 308.382 -0.021 30 20 DBED CN(C)C(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)CCC#N)C1 1414279121 YTCGWHQWYGRPRL-LLVKDONJSA-N 317.415 -0.188 30 20 DBED N#Cc1ccc(S(=O)(=O)N[C@H]2CCc3nnnn3CC2)o1 1414291846 MCQJWKMOAAANHB-QMMMGPOBSA-N 308.323 -0.179 30 20 DBED C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)CNC(=O)[C@@H]1CCC(=O)N1 1416445136 MHWBDMNWIHHFNL-KOLCDFICSA-N 317.349 -0.353 30 20 DBED Cn1cc(C(=O)N2CC(O)(CC#N)C2)c(=O)c2cnn(C)c21 1417717670 DEVKGSJKZVSRIQ-UHFFFAOYSA-N 301.306 -0.627 30 20 DBED CNC(=O)NCC(=O)N1C[C@H]2CCN(C(=O)[C@@H](C)C#N)C[C@H]2C1 1429203908 ZCSCYJDFVQNFBS-TUAOUCFPSA-N 321.381 -0.618 30 20 DBED C=C(Cl)CN1CC([C@@H](C)NC(=O)Cn2ncn(C)c2=O)C1 1448319198 ZPWVKYFDNVWXIP-SNVBAGLBSA-N 313.789 -0.229 30 20 DBED C[C@H](C#N)C(=O)NC[C@](C)(NC(=O)c1ncn(C)n1)C1CC1 1451256600 HPCVPJNAULWJPS-OTYXRUKQSA-N 304.354 -0.011 30 20 DBED Cn1c(=O)[nH]c(NCC2(N3CCOCC3)CC2)c(C#N)c1=O 1472773823 KNPQSOATULHISX-UHFFFAOYSA-N 305.338 -0.778 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1cccnc1N(C)C 1501526085 NWAAKMDDFSAYDF-GHMZBOCLSA-N 319.365 -0.486 30 20 DBED CCCNC(=O)NC(C)(C)C(=O)NC1CN(C(=O)[C@@H](C)C#N)C1 1530491807 KAQFGMLLBZDRBF-JTQLQIEISA-N 323.397 -0.039 30 20 DBED N#Cc1cc(C(=O)NC[C@H](O)CNC(=O)[C@H]2CCOC2)c[nH]1 1533206776 XVYIPRPDXYYDIY-JOYOIKCWSA-N 306.322 -0.870 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@@H](NC(=O)c2cnn(C)c2C)C1 1566654809 JJPVTHDYHCHLLQ-CHWSQXEVSA-N 317.393 -0.329 30 20 DBED COCC#CCNC[C@H](C)N(C)C(=O)[C@@H](C)OCc1cnn[nH]1 1576954676 YMLLZDAQZDHEML-QWHCGFSZSA-N 323.397 -0.204 30 20 DBED N#CCC(=O)N1CCN(C(=O)c2c[nH]nc2[C@@H]2CCNC2)CC1 1580044506 CNCYDSYRTYVHEZ-LLVKDONJSA-N 316.365 -0.315 30 20 DBED N#Cc1cccc(CNC(=O)[C@@]23CNC[C@@H]2CS(=O)(=O)C3)c1 1580075799 IXSCQVOQMQVBFY-UKRRQHHQSA-N 319.386 -0.191 30 20 DBED N#Cc1ncc(N2CCC(OCCO)CC2)nc1-c1nn[nH]n1 1581882414 XWLWBLQTUYWXBA-UHFFFAOYSA-N 316.325 -0.494 30 20 DBED C#CC[C@H](NC(=O)c1cc(S(N)(=O)=O)c(Cl)o1)C(=O)O 1588413615 DBAGBLHQCZXZHT-YFKPBYRVSA-N 320.710 -0.213 30 20 DBED C#CCNC(=O)CN1CC=C(CNC(=O)[C@@H]2C[C@H]2C(=O)O)CC1 1588483638 GCOJWVNLAAHCJS-CHWSQXEVSA-N 319.361 -0.795 30 20 DBED C#CCSCCNC(=O)C(=O)NC[C@H]1CCO[C@H]1C(=O)O 1588506328 PWDNAFQHVQFWGY-NXEZZACHSA-N 314.363 -0.925 30 20 DBED C=CCCOCCNC(=O)C(=O)N1C[C@@H](C(=O)O)O[C@H](C)C1 1588810594 ZTPYRWVVOIWLAK-MNOVXSKESA-N 314.338 -0.604 30 20 DBED N#C[C@@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)Nn1ccnn1 1592669017 OLPJZQHAOVDTAF-LLVKDONJSA-N 309.293 -0.089 30 20 DBED Cn1nccc1[C@H](NS(=O)(=O)c1ccc(C#N)o1)C(=O)O 1601035731 ZOSJNZZKIAFXOI-JTQLQIEISA-N 310.291 -0.011 30 20 DBED C#CC[C@@H](NC(=O)c1ccc(-c2nn[nH]n2)c(O)c1)C(=O)OC 1602696384 AKWTUMCTJNCCKP-SNVBAGLBSA-N 315.289 -0.133 30 20 DBED C#CCSCC(=O)NC1(CC(=O)O)CCS(=O)(=O)CC1 1602733990 DYCURNLODWYTGN-UHFFFAOYSA-N 319.404 -0.109 30 20 DBED N#C[C@H]1CN(C(=O)NCCN2CCNC2=O)CCN1C1CC1 1647380211 BYWZRHQUGRISKU-LBPRGKRZSA-N 306.370 -0.607 30 20 DBED CN(C)CCCN(CCC#N)C(=O)c1nc(O)nc(O)c1N 1649709240 DGGSIRZAXOXYRT-UHFFFAOYSA-N 308.342 -0.222 30 20 DBED C=CCN1CC[C@H](N[C@@H](C)CCNC(=O)C2(C(N)=O)CC2)C1=O 1714486192 HCESQLHQQLQEPN-RYUDHWBXSA-N 322.409 -0.477 30 20 DBED CC(C)n1nccc1C(=O)N[C@H]1C[C@H](NCC(=O)NCC#N)C1 1752633167 PAQYPWGOSINZML-HAQNSBGRSA-N 318.381 -0.046 30 20 DBED C#CCNC(=O)CN(CC)CCNC(=O)[C@H]1C[C@]12CCOC2 1753093274 YCDYKZCPJFXAKA-CJNGLKHVSA-N 307.394 -0.400 30 20 DBED C#CCNC(=O)CN1CC(NC(=O)c2c[nH]nc2CCC)C1 1753380852 OBYSJQNMIHMNLC-UHFFFAOYSA-N 303.366 -0.474 30 20 DBED CO[C@H](C)C(=O)N1CCC(CCNCC(=O)NCC#N)CC1 1753564984 GPVALSOJJNVQGS-GFCCVEGCSA-N 310.398 -0.121 30 20 DBED C=CCNC(=O)NC(=O)CNC[C@H](C)N(C)C(=O)COC 1753675346 ALLHQWFPOJBIIC-JTQLQIEISA-N 300.359 -0.919 30 20 DBED C=C[C@](C)(O)CC(=O)N(C)[C@@H](C)CNCc1nc(=O)n(C)[nH]1 1753686830 XPVZVRTYCPZFQM-HZMBPMFUSA-N 311.386 -0.628 30 20 DBED CC#CCN[C@H](CNC(=O)CN1CCN(C)C(=O)C1)C(C)C 1753834405 LDHOYBFLSBHDAF-CQSZACIVSA-N 308.426 -0.486 30 20 DBED C[C@H](CNCC(=O)NCC#N)NC(=O)[C@@H]1CCn2ccnc2C1 1754232028 IVIPZFANMBDNDY-VXGBXAGGSA-N 318.381 -0.820 30 20 DBED C#CCNC(=O)CNC[C@H](C)NC(=O)[C@H]1CC12CCOCC2 1754297685 WQPNTWXXLDXJEH-QWHCGFSZSA-N 307.394 -0.353 30 20 DBED C#CCNC(=O)[C@H](C)NC1(CNC(=O)C2(COC)CC2)CC1 1754520088 DPEIOJFIOIMRLS-LBPRGKRZSA-N 307.394 -0.211 30 20 DBED C#CCCNC1(CNC(=O)c2ccc(=O)n(C)n2)CCOCC1 1754742691 QKGVBHDSLDAFGT-UHFFFAOYSA-N 318.377 -0.328 30 20 DBED CCC[C@H](C)C(=O)NC[C@@]1(O)CCN(CC(=O)NCC#N)C1 1754749084 AXWRKXCYDWFXKP-WFASDCNBSA-N 310.398 -0.385 30 20 DBED C=CCCOCC(=O)N1C[C@@H]2CN([C@@H]3CCNC3=O)C[C@@H]2C1 1754847378 CLIILGUVHBNSDK-HZSPNIEDSA-N 307.394 -0.142 30 20 DBED C=C(C)CNC[C@@H]1CN(C(=O)C[C@H]2CC(=O)NC2=O)CCO1 1755017365 MFQKUQFJBHDJHK-VXGBXAGGSA-N 309.366 -0.568 30 20 DBED N#CCNC(=O)CN1CCC[C@@H](NC(=O)c2ncccn2)CC1 1755030671 FZNPCZIVXPOUIC-GFCCVEGCSA-N 316.365 -0.299 30 20 DBED C[C@H](C(=O)N1CCOC2(CN(CC(=O)NCC#N)C2)C1)C1CC1 1755049007 BITDLXVQRYWZNL-LBPRGKRZSA-N 320.393 -0.415 30 20 DBED COCC#CCN1CC2(C[C@@H](NC(=O)[C@H]3COCCO3)CO2)C1 1755059696 UIKXMRBCOGAOJE-ZIAGYGMSSA-N 324.377 -0.989 30 20 DBED C=CCN1CC(N2CCN(C(=O)C3(C(=O)NC)CCC3)CC2)C1 1755146567 SMCOJZSTPKXNJD-UHFFFAOYSA-N 320.437 -0.083 30 20 DBED C#CCOCCC(=O)NC1CC(CNCc2cnnn2C)C1 1755211056 FYAWNZOKWCNCJK-UHFFFAOYSA-N 305.382 -0.161 30 20 DBED C#CCNC(=O)CN[C@@H](C)[C@@H](C)NC(=O)CN1CCC(C)CC1 1755259423 CONUCSHWSHAFGT-LSDHHAIUSA-N 322.453 -0.050 30 20 DBED C#CCN1CCCCC[C@H]1CNC(=O)CN(C)S(C)(=O)=O 1755364191 RXUXINNDFZNGJL-ZDUSSCGKSA-N 315.439 -0.128 30 20 DBED C#CCNC(=O)CN1CC([C@@H](C)NC(=O)c2cc(C)[nH]n2)C1 1755374498 MBQPKBAARKFUJS-LLVKDONJSA-N 303.366 -0.482 30 20 DBED C#CCN[C@@H](CO)CNC(=O)[C@H]1CCCN(C(=O)C2CC2)C1 1755629283 KHVDSUJHMBQMSV-UONOGXRCSA-N 307.394 -0.665 30 20 DBED C=CC(C)(C)C(=O)NC[C@H](CO)NCc1nnc2n1CCOC2 1755634573 MYSOBBAGMBTEMI-LLVKDONJSA-N 323.397 -0.413 30 20 DBED CC(C)C#CC(=O)NC[C@H](CO)NC(=O)Cc1cccnc1 1756517957 RDHNMFFHPNNOCH-CQSZACIVSA-N 303.362 -0.123 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)C#CC1CC1 1756550179 PJVBESXNOJRAKN-MJBXVCDLSA-N 306.362 -0.416 30 20 DBED C=C(C)CCC(=O)N[C@@H]1CN(C(=O)CNC(=O)C2CC2)C[C@@H]1O 1757179269 LJAVJJQYAZCQMN-OLZOCXBDSA-N 323.393 -0.443 30 20 DBED C[C@](O)(CNS(=O)(=O)c1cccc(C#N)c1F)C(=O)O 1776462717 TYXDISDNDZIHKJ-NSHDSACASA-N 302.283 -0.189 30 20 DBED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)C1CC1)CCO2 1783568368 VXUMBTDXDFYONK-OAHLLOKOSA-N 306.318 -0.686 30 20 DBED C#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1C=CCN1)CCO2 1785422736 MMFKLSBAWNPQNR-WMLDXEAASA-N 317.389 -0.242 30 20 DBED N=C(N)NCC(=O)N1CC2(CCCN2C(=O)C#CC2CC2)C1 1841540733 PODCHJKMJNDBCN-UHFFFAOYSA-N 303.366 -0.914 30 20 DBED C=CCNc1nc(C(=O)OCC(=O)N2CCNC(=O)C2)cs1 23442543 XGDSHWAQJHSONI-UHFFFAOYSA-N 324.362 -0.144 30 20 DBED CC#CCNC(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C 189761509 MVIXXQRGKJMVGL-UHFFFAOYSA-N 301.306 -0.223 30 20 DBED N#Cc1ccnc(N2CCN(S(N)(=O)=O)CC2)c1[N+](=O)[O-] 268478049 KTDUWRIJJSTGGF-UHFFFAOYSA-N 312.311 -0.813 30 20 DBED C[C@H]1C[C@H](C)CN(C(=O)Cn2c(=O)c(C#N)cn(C)c2=O)C1 294492090 YMWNFPWOEQQFMZ-QWRGUYRKSA-N 304.350 -0.077 30 20 DBED O=C(NCC#CCO)C(=O)N1CCN(c2ccccc2)CC1 299146325 YFXSOMFGNVGLKT-UHFFFAOYSA-N 301.346 -0.553 30 20 DBED CN1CCO[C@@H]2CCN(/C(O)=N/CC(=O)N3CCCC3)C[C@@H]21 328865659 GLFMJIKHIPRARU-QWHCGFSZSA-N 310.398 -0.072 30 20 DBED CS(=O)(=O)N1CCN(C/C(O)=N/[C@H]2CN=C(O)C2)CC1 329451143 OVKRFWFNDDLADJ-SECBINFHSA-N 304.372 -0.751 30 20 DBED CC(C)C(=O)NCC/N=C(/O)N1CC[C@@H](S(C)(=O)=O)C1 330421174 QBDZPLQSAZOFET-SNVBAGLBSA-N 305.400 -0.209 30 20 DBED C[C@H]1CN(CC(C)(C)O)CCN1/C(O)=N/CCn1cncn1 331230822 QHHYSAMRGMQEIO-LBPRGKRZSA-N 310.402 -0.031 30 20 DBED CCN(CCC#N)S(=O)(=O)NC[C@@H]1CCCS1(=O)=O 336932385 CIZJQNFJULJYHT-JTQLQIEISA-N 309.413 -0.366 30 20 DBED C=CCn1c(O)nnc1S(=O)(=O)[C@@H](C)C(=O)NC1CC1 341336725 ULQNXMUMAYGJBQ-ZETCQYMHSA-N 300.340 -0.390 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2cc(C)on2)C1=O 343747302 JIAIBMQEMJJSKT-JTQLQIEISA-N 306.322 0.167 30 20 DBED C[C@@H](C#N)C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 347110269 QVKVBIXLSKMLMZ-QWRGUYRKSA-N 303.384 -0.249 30 20 DBED CC(C)[C@H](C#N)NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 347488830 FMCRFVCOMJWCDG-VIFPVBQESA-N 318.337 -0.902 30 20 DBED CCN(CC)C(=O)CN1CCN(S(=O)(=O)[C@@H](C)C#N)CC1 352404508 BKOBEQLEDLTTPY-LBPRGKRZSA-N 316.427 -0.286 30 20 DBED N#C[C@@H]1CN(C(=O)CNS(=O)(=O)c2ccccc2)CCO1 354244144 NXKGKDHWEDKGLG-LLVKDONJSA-N 309.347 -0.284 30 20 DBED N#C[C@@H]1CN(C(=O)CSc2n[nH]c(O)n2)CCN1C1CC1 376733660 JQJUUELFPXVSRG-SECBINFHSA-N 308.367 -0.199 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N(C)CC[C@@H](N)C(C)C)nn1 424553101 YXGGMQCFFZAAJK-CYBMUJFWSA-N 322.413 -0.088 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCC[C@@H](O)C2)CC1 439252039 YQVWTKYPRXHYJI-ZIAGYGMSSA-N 309.410 -0.016 30 20 DBED C[C@@H]1CCN(C)CCN1C(=O)C(=O)Nc1ccn(CCC#N)n1 439347084 JJICRPZSVMQKSZ-GFCCVEGCSA-N 318.381 0.288 30 20 DBED C#CCNC(=O)CN1CCN([C@H](C)C(=O)N[C@H](C)CC)CC1 491128133 ZDDQPMVCSJTTAZ-ZIAGYGMSSA-N 308.426 -0.343 30 20 DBED C#CCN1CCN(C(=O)CN2CC[C@@H](C)[S@](=O)CC2)CC1 491675416 XGFLNJOVERRLNA-SPLOXXLWSA-N 311.451 -0.393 30 20 DBED C#CCN1CCN(C(=O)CN2CCOC[C@@H]2[C@@H]2CCCO2)CC1 491777912 XIKHIBLMRIJVKN-CVEARBPZSA-N 321.421 -0.356 30 20 DBED Cn1cc(N2CCN(CC(=O)NC3(C#N)CCC3)CC2=O)cn1 527384889 STBJMQGHXQKENH-UHFFFAOYSA-N 316.365 -0.369 30 20 DBED COc1cc(C#N)ccc1S(=O)(=O)NC[C@@H](OC)C(=O)O 548555889 RGHOPMMICFFDHF-SNVBAGLBSA-N 314.319 -0.055 30 20 DBED CN(C[C@@H](O)CNc1cc(C#N)ncn1)c1cc(C#N)ncn1 555724140 ITHAPYBCDZSNAJ-LBPRGKRZSA-N 310.321 -0.081 30 20 DBED COCC(=O)Cn1cc(CN2CCOCC2)cc(C#N)c1=O 578207291 RLDOKWIRHRBNMR-UHFFFAOYSA-N 305.334 -0.232 30 20 DBED N#CC[C@]1(O)CCN(C(=O)CN2C(=O)NC3(CCCC3)C2=O)C1 592840634 YMXCMFIQECVSML-AWEZNQCLSA-N 320.349 -0.272 30 20 DBED CN(CC(=O)N1CC[C@](O)(CC#N)C1)c1ncnc2[nH]cnc12 592841295 BSNYHSWECRHLTL-CQSZACIVSA-N 315.337 -0.334 30 20 DBED Cn1cc(C#N)c(NC(=O)N2CCc3nn(C)c(=O)cc3C2)n1 610562244 LRFMRTJABLBKHC-UHFFFAOYSA-N 313.321 -0.024 30 20 DBED COCCCS(=O)(=O)NCC(=O)N[C@]1(C#N)CCSC1 610912963 SQYNCEONYTZJFP-NSHDSACASA-N 321.424 -0.542 30 20 DBED N#CCNC(=O)COC(=O)c1ccc(F)c(S(N)(=O)=O)c1 731241347 GMZWDIKZHRKZRH-UHFFFAOYSA-N 315.282 -0.730 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CCN(CC(=O)N(C)C)CC1 731837186 KYTGHSDEXWZZAR-HNNXBMFYSA-N 320.437 -0.247 30 20 DBED C#CCOCCC(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 755508503 NMYXUUWCCVNUMC-LBPRGKRZSA-N 302.396 -0.186 30 20 DBED CC(=O)NCC(=O)NCC(=O)OCC(=O)c1cccc(C#N)c1 763671575 UQMODGKRTXCTCQ-UHFFFAOYSA-N 317.301 -0.464 30 20 DBED COC(=O)c1cc(C(=O)OC)n(CN2CCOC[C@@H]2C#N)n1 765699196 ADFLJGPMOBVUGH-VIFPVBQESA-N 308.294 -0.362 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)OCc2cc(C)n(C)n2)C1=O 768015308 GFPDLLJWQPYNDW-UHFFFAOYSA-N 320.305 -0.251 30 20 DBED C[C@@H](CC(=O)NCCO)/N=C1/NS(=O)(=O)c2ccccc21 768926670 WZDMXPDRVNTGMX-VIFPVBQESA-N 311.363 -0.388 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCOC[C@@H]1C[C@H](C)O)[C@H]1CCCO1 774247596 AJOKTYDGENAOOH-XDQVBPFNSA-N 324.377 -0.718 30 20 DBED C#CCCCS(=O)(=O)N1CCC([C@@H](O)C(=O)OC)CC1 805044523 VOXQTLAOXPMIKP-GFCCVEGCSA-N 303.380 -0.025 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)C[C@@H]1CCCC(=O)N1 808690037 IZCATAMXYUNPOZ-ZJUUUORDSA-N 311.338 -0.011 30 20 DBED C#CCO[C@H](C)C(=O)NCCS(=O)(=O)NCC1CCC1 823226792 FBLMZRJOCNQMQN-LLVKDONJSA-N 302.396 -0.140 30 20 DBED C#CCCN1CCN(S(=O)(=O)N(C)CCC(=O)O)CC1 825609237 YUWDPMVFWBXEGZ-UHFFFAOYSA-N 303.384 -0.721 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)C[C@@H]2CCCO2)CC1 831557036 ZZUBJAYWBBFBFU-LBPRGKRZSA-N 315.395 -0.833 30 20 DBED O=C(O)CCNC(=O)COC(=O)C#Cc1ccc2c(c1)OCO2 833237411 VURSJNRLFPTCFY-UHFFFAOYSA-N 319.269 -0.099 30 20 DBED C#CCOCCOn1nnc2ccc(S(=O)(=O)N(C)C)cc21 853643622 KSCVFOZUHPFKCF-UHFFFAOYSA-N 324.362 -0.240 30 20 DBED N#Cc1ccc(NCCNC(=O)NC[C@H]2COCCN2)nc1 861556914 SEDGGUFVBGPIGT-LBPRGKRZSA-N 304.354 -0.347 30 20 DBED C[C@@H]1CN(c2c(C#N)c(=O)n(C)c(=O)n2C)Cc2c[nH]nc21 894894530 MTZKUSIOEFLULF-MRVPVSSYSA-N 300.322 -0.198 30 20 DBED C#CCSCC(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 896400959 QMDGRVSZSQOKKV-CQSZACIVSA-N 311.451 -0.125 30 20 DBED CC(C)(C#N)CS(=O)(=O)N1CC[C@@H]2OCC(=O)N[C@H]2C1 916193218 XZRAPEOPCMPERX-UWVGGRQHSA-N 301.368 -0.545 30 20 DBED CN(C(=O)c1c[nH]c(C#N)c1)[C@@H]1CCN(C(=O)CC(N)=O)C1 936947129 JCGFMKRWLCVWAU-LLVKDONJSA-N 303.322 -0.565 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](N(C)C(=O)CN2CCCC2=O)C1 939392176 LDRURFFORJJAQA-NEPJUHHUSA-N 306.366 -0.172 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](NC(=O)c2cccc(C(N)=O)n2)C1 941132889 AVHKWVGKFJQNAD-VHSXEESVSA-N 315.333 -0.329 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2nnc(O)nc2O)[C@@H](C)C1 942306357 XGRHGKRJHAKVFS-UWVGGRQHSA-N 305.338 -0.254 30 20 DBED C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(C(=O)C#CC3CC3)C2)C1 942467058 KNVYJLJHVUILTB-GXTWGEPZSA-N 317.389 -0.015 30 20 DBED CO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1NC(=O)C12CCN(CC1)C2 943608818 SDVLWKVAMBITCN-JHJVBQTASA-N 320.393 -0.416 30 20 DBED C#CCCN1CC[C@H](NC(=O)CN2CCC(=O)NC2=O)[C@@H](C)C1 944034013 RWUSGQUYZOIVNQ-STQMWFEESA-N 320.393 -0.222 30 20 DBED C[C@H](C#N)C(=O)N1CCC2(CC1)CN(C(=O)C1(C(N)=O)CC1)C2 945031636 XWVDFNUBIXHZEH-LLVKDONJSA-N 318.377 -0.137 30 20 DBED N#Cc1cc(C(=O)NC2CCN(C(=O)CC(N)=O)CC2)c[nH]1 945603556 ROSWZSPCMJWCQH-UHFFFAOYSA-N 303.322 -0.517 30 20 DBED C[C@H](NC(=O)c1cc(C#N)c[nH]1)[C@H]1CCCN(C(=O)C(N)=O)C1 945666932 HKXDFHHUKFBFNE-ONGXEEELSA-N 317.349 -0.271 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2nnc(O)nc2O)C[C@H]1C 947505867 GEIDHJNXRCAECX-NXEZZACHSA-N 305.338 -0.111 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)[C@@H]1CN(C)C(=O)N1)CCO2 949156526 OUCVBDFHVBBCIQ-ZDUSSCGKSA-N 320.393 -0.663 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CNC(=O)[C@H]2CCC(=O)N2)CC1 949390961 NMTOXCPACBYNDI-ZYHUDNBSSA-N 306.366 -0.221 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)C(N)=O)C1 951857951 BZQFKNZEGOGXLN-UTUOFQBUSA-N 309.366 -0.440 30 20 DBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CCCN(C(=O)C(N)=O)C1 951859366 XOZILTOPNNRZIA-AGIUHOORSA-N 323.393 -0.050 30 20 DBED CN(C(=O)c1c[nH]c(C#N)c1)C1CN(C(=O)[C@H]2COC(=O)N2)C1 954106897 NLQLHWYDISGDCU-LLVKDONJSA-N 317.305 -0.722 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2nnn(CC)c2CC)C1 958403296 CLVVGRQRTJBHTO-DGCLKSJQSA-N 305.382 -0.484 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cnn(CC3CC3)c2)C1 958574314 NQXVXNRJKBBLLI-DZGCQCFKSA-N 302.378 -0.051 30 20 DBED Cc1nonc1CC(=O)N(C)[C@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1O 958947141 LFJCMFYYIPMVNU-ZHAHWJHGSA-N 321.337 -0.890 30 20 DBED C#CCN1CC[C@H]([C@H]2CCCN(C(=O)Cn3ncnn3)C2)C1 961160223 VTWYTAZVJDDXRR-KBPBESRZSA-N 302.382 -0.133 30 20 DBED Cn1c(O)ncc(C(=O)NC2CC3(CC(NCC#N)C3)C2)c1=O 964600751 SWQFVHPZJZOCGM-UHFFFAOYSA-N 317.349 -0.360 30 20 DBED O=C(C#CC1CC1)N1CC2(C1)CN(C(=O)c1cnn[nH]1)CCO2 965424010 SXWACSQXUMRDRS-UHFFFAOYSA-N 315.333 -0.729 30 20 DBED C#CCN1CCC(C(=O)N[C@@H]2CN(C(=O)CCC)C[C@@H]2O)CC1 966003965 BQCHBHYFXAAERR-CABCVRRESA-N 321.421 -0.180 30 20 DBED CCc1nc[nH]c1C(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1O 969682735 YRYLJAWHBVGERT-GDPRMGEGSA-N 305.338 -0.567 30 20 DBED C[C@@]1(C(=O)N2CC[C@@]3(CN(CC#N)CCO3)C2)CCC(=O)NC1 972512929 BKOHSGPKDJKJDQ-HZPDHXFCSA-N 320.393 -0.270 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1CN(CC(=O)NC)CC1(C)C 974684282 HPBHALHWSXKMRV-KBPBESRZSA-N 320.437 -0.343 30 20 DBED CC#CCN1C[C@H](NC(=O)C[C@H]2CC(=O)NC2=O)C(C)(C)C1 977677775 IANVFNXWCJUGRX-RYUDHWBXSA-N 305.378 -0.111 30 20 DBED C=CCN1CC[C@]2(NC(=O)[C@@H]3CCS(=O)(=O)N3)CCC[C@H]12 992501329 QSPFETAWTUUGGQ-SGMGOOAPSA-N 313.423 -0.023 30 20 DBED C#Cc1cncc(C(=O)N2C[C@@H](NCC(N)=O)C(C)(C)C2)c1 996271390 FAFJJHOKCAYQDX-CYBMUJFWSA-N 300.362 -0.012 30 20 DBED N#Cc1ccc(C(=O)NCC2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)[nH]1 1001478956 ZWIITFGJRIPPRA-ZYHUDNBSSA-N 317.305 -0.260 30 20 DBED C[C@@H](C#N)C(=O)N1CCNC(=O)CCN(C(=O)C(F)F)CC1 1001697386 OHUFNLDGNNZZEX-VIFPVBQESA-N 316.308 -0.412 30 20 DBED C[C@H](C#N)C(=O)N1CC(CNC(=O)[C@@H]2CCCc3nn[nH]c32)C1 1003911019 XVQCAFSYMPSFKI-MWLCHTKSSA-N 316.365 -0.041 30 20 DBED Cn1nnc(CN2CCC[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)n1 1007143466 MTIXKIOPEJMCNB-NSHDSACASA-N 314.353 -0.196 30 20 DBED C[C@H]1C[C@H](CNC(=O)c2c[nH]c(C#N)c2)CN1C(=O)CC(N)=O 1010078376 KFKOGPJPSYPPAE-VHSXEESVSA-N 317.349 -0.271 30 20 DBED N#Cc1cc(C(=O)N[C@H]2CCN([C@H]3CCCNC3=O)C2)c[nH]1 1010685855 AYGXYUSFODJJOC-AAEUAGOBSA-N 301.350 -0.031 30 20 DBED COc1cc(C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2O)on1 1023471810 QHQZDNBWNHYMFH-GHMZBOCLSA-N 319.317 -0.602 30 20 DBED C=CCN1CC[C@@H](N(CC)C(=O)c2cn(CC(N)=O)nn2)C1 1034049224 LXPATOQWKNLYQL-LLVKDONJSA-N 306.370 -0.514 30 20 DBED C#CCCN1CCO[C@H](CNC(=O)[C@H]2CCc3nncn3C2)C1 1035610659 ZNQHFDJJLRNHAM-UONOGXRCSA-N 317.393 -0.319 30 20 DBED Cn1cc(C(=O)N2CC[C@H]3[C@H](CCN3CC#N)C2)n(C)c1=O 1036905407 JQOILANSVUNSNI-NEPJUHHUSA-N 303.366 -0.216 30 20 DBED CC(=O)N1CCO[C@H](C(=O)N2C[C@@H]3CCC[C@H](C2)N3CC#N)C1 1039988722 CRAATYSAAWQDFP-ZNMIVQPWSA-N 320.393 -0.177 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)CCn2cccn2)C1 1040764838 ZKZDWOKGCMJUFW-WFASDCNBSA-N 319.365 -0.488 30 20 DBED C=CCC1(C(=O)NC[C@]2(O)CCN(C(=O)C(N)=O)C2)CCC1 1040815419 RQSWFIOOZIXWOV-OAHLLOKOSA-N 309.366 -0.702 30 20 DBED Cn1nccc1C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1O 1040943063 ONNRAJRYXADXHG-ZYHUDNBSSA-N 313.321 -0.939 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)C(C)(C)F)C1 1041140014 SRJMKFVNXMGFEQ-JTQLQIEISA-N 300.330 -0.538 30 20 DBED N#Cc1cc(C(=O)N2CC(O)(CNC(=O)c3ccc[nH]3)C2)c[nH]1 1041440722 URSFXROMACVPCL-UHFFFAOYSA-N 313.317 -0.169 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)CCn2cccn2)C1 1041540136 OHHWOBZOFLTOAH-UHFFFAOYSA-N 318.377 -0.378 30 20 DBED CCCC(=O)NCC(=O)NCC1(O)CN(C(=O)C#CC(C)C)C1 1041784345 SKZAIWCCCZZLKP-UHFFFAOYSA-N 323.393 -0.748 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)[C@H](C)[C@H]2CCC(=O)N2)C1 1041963200 JNHDUQJJBVLUQG-VXGBXAGGSA-N 323.393 -0.443 30 20 DBED CN(C(=O)Cn1ncnn1)C1CN(Cc2cccc(C#N)c2)C1 1042728948 QXJKUZULBIQAHX-UHFFFAOYSA-N 311.349 -0.112 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)c2cnc3n2CCC3)C1 1043645663 FZIPKOCMSBDULF-JTQLQIEISA-N 317.349 -0.708 30 20 DBED Cc1nn(CC(=O)N2CC[C@@H](NCC#N)C[C@H]2C)c(=O)n1C 1044835913 HSLFZIKDWQONOP-ZYHUDNBSSA-N 306.370 -0.617 30 20 DBED CCn1cc(CC(=O)N2CC(O)(CNC(=O)[C@@H](C)C#N)C2)cn1 1045550936 CHCVEXSBEDOUKO-NSHDSACASA-N 319.365 -0.705 30 20 DBED C#CCCN1CC[C@H](N2CCN(C(=O)c3cnn[nH]3)CC2)C1 1046042962 QDJSATLXPXWRGD-ZDUSSCGKSA-N 302.382 -0.340 30 20 DBED CN(C)C(=O)Cn1cc(C(=O)N[C@]2(C)CCN(CC#N)C2)nn1 1046854171 LLCMVXWIJMBPJN-CQSZACIVSA-N 319.369 -0.916 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@]2(C)CCN(C(C)=O)C2)C1 1047589346 FLJJARLMJGUPEU-OFQRWUPVSA-N 307.394 -0.618 30 20 DBED CN(C(=O)C#CC1CC1)[C@H]1CN(C(=O)C[C@H]2CCOC2)C[C@@H]1O 1048821446 NVRPVFMUICAPJL-ILXRZTDVSA-N 320.389 -0.144 30 20 DBED C#CCN1C[C@H]2CN(C(=O)C3CCN(C(N)=O)CC3)C[C@H]2C1 1049206721 ZEMRZQAOHLEDIT-OKILXGFUSA-N 304.394 -0.200 30 20 DBED Cc1nc(C)c(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)C#N)C2)[nH]1 1049401459 FNCIYYYZQZPHKS-UWJYBYFXSA-N 319.365 -0.170 30 20 DBED CC(C)[C@@H](C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)C#N)C1)N(C)C 1049402780 XWGRLTRXLDIFFN-RFGFWPKPSA-N 324.425 -0.238 30 20 DBED COCCn1ncc(C(=O)NC[C@H]2COCCN2CC#N)c1C 1050916209 AFSOOYYLLZFVSG-ZDUSSCGKSA-N 321.381 -0.208 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@H](CNCc2nc(N(C)C)no2)C1 1051494323 HRMQJONPSWTXMC-GHMZBOCLSA-N 322.369 -0.388 30 20 DBED C=CCOCC(=O)N1C[C@H](C)[C@H](CNC(=O)c2cnn[nH]2)C1 1052215690 RHJBSJZEMQGMIS-WDEREUQCSA-N 307.354 -0.168 30 20 DBED C[C@H]1C[C@H](C(=O)N2CCOC3(CN(CC#N)C3)C2)CC(=O)N1 1053322199 WBJFEZABCOZAST-RYUDHWBXSA-N 306.366 -0.662 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)c1cccc(=O)n1C)CCO2 1053421810 RYLJWONYBUYPHN-UHFFFAOYSA-N 315.373 -0.065 30 20 DBED C=C[C@](C)(O)CC(=O)N1C[C@H]2CN(C(=O)c3cnon3)C[C@H]2C1 1055313536 UUSZFFJOKKMQLA-RWSFTLGLSA-N 320.349 -0.073 30 20 DBED N#Cc1cnc(N2CCN(C(=O)c3cncnc3O)CC2)cn1 1055936032 KUYCLUSQZUDFMI-UHFFFAOYSA-N 311.305 -0.194 30 20 DBED N#Cc1nccnc1N1C[C@H]2C(NC(=O)c3ccc(O)nn3)[C@@H]2C1 1056111012 BQCNBCNTFGQMEA-RKDXNWHRSA-N 323.316 -0.292 30 20 DBED Cc1nc(CC(=O)NC2[C@H]3CN(c4ccnc(C#N)n4)C[C@H]23)n[nH]1 1056203953 QIHUVGDXXSCNCE-UWVGGRQHSA-N 324.348 -0.432 30 20 DBED CN1CC[C@H](C(=O)N[C@H]2[C@@H]3CN(c4ccc(C#N)nn4)C[C@@H]32)C1 1056228011 NNJYFCOGUFSSGY-MUYACECFSA-N 312.377 -0.149 30 20 DBED N#Cc1cnc(N[C@@H]2CCN(C(=O)[C@H]3CCCNC3=O)C2)cn1 1056721562 UXNUVQRRXPITAJ-PWSUYJOCSA-N 314.349 -0.113 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NCCN(CCO)C(=O)CC 1056746487 HYVDDYSLWFPILS-ZDUSSCGKSA-N 313.398 -0.196 30 20 DBED CCOCCC(=O)NCCN(CCO)C(=O)c1c[nH]c(C#N)c1 1057391654 HPWPDENZEBBFPW-UHFFFAOYSA-N 322.365 -0.136 30 20 DBED C=CCCCC(=O)NCCN(CCO)C(=O)[C@H](C)NC(N)=O 1057424274 WQUKSYPODLVARG-NSHDSACASA-N 314.386 -0.663 30 20 DBED C=C[C@@](C)(O)CC(=O)N(CCO)CCNC(=O)[C@@H](F)CC 1057451445 LIXSUMZLSHBFGH-SMDDNHRTSA-N 304.362 -0.001 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)CN1CCCC1 1057640399 IVEOPBHCLRJDLY-UHFFFAOYSA-N 313.398 -0.778 30 20 DBED N#Cc1ccc(N2CCC(NC(=O)[C@H]3CCC(=O)N3)CC2)nn1 1057846886 MJPLQEKMQXWACE-GFCCVEGCSA-N 314.349 -0.288 30 20 DBED C=CCCOCC(=O)N(CCO)CCNC(=O)C[C@@H](C)OC 1057919286 USCIDNKPPYMDPV-CYBMUJFWSA-N 316.398 -0.059 30 20 DBED CN1CC[C@H](C(=O)N[C@H]2CCN(c3ccnc(C#N)n3)C2)C1 1058373434 IHERBZAMLUXTIZ-RYUDHWBXSA-N 300.366 -0.005 30 20 DBED C=C[C@H](C)[C@H](C)C(=O)N(CCO)CCNC(=O)c1cnn(C)n1 1058434988 BRRMQTPDKIRQCN-RYUDHWBXSA-N 323.397 -0.176 30 20 DBED N#Cc1nc(=N[C@H]2CCN(C(=O)Cn3ccccc3=O)C2)cc[nH]1 1058900618 DRPJSXZYJUOAJT-LBPRGKRZSA-N 324.344 -0.355 30 20 DBED N#Cc1cnc(N[C@H]2C[C@@H](NC(=O)[C@@H]3COC(=O)N3)C2)cn1 1059625406 WPVOHKDOBKDQSR-XKSSXDPKSA-N 302.294 -0.484 30 20 DBED CN(c1cnc(C#N)cn1)[C@H]1CCCN(C(=O)CC(N)=O)C1 1061182707 PEOBTCANFKLWQS-NSHDSACASA-N 302.338 -0.349 30 20 DBED Cc1cc(C(=O)N2CCOC[C@@H]2CNC(=O)[C@@H](C)C#N)n[nH]1 1061848289 XVEIEQDTKACFEG-ONGXEEELSA-N 305.338 -0.165 30 20 DBED O=C(C#CC1CC1)NCC1(NC(=O)[C@@H]2COC(=O)N2)CCC1 1062974104 MLSXCKJGJXHLKJ-NSHDSACASA-N 305.334 -0.337 30 20 DBED Cc1cc(C#N)nc(NC[C@H]2CCC[C@@H]2NC(=O)C(N)=O)n1 1064132636 CVINTNYJKMQTDT-KOLCDFICSA-N 302.338 -0.161 30 20 DBED C#CCCCCCC(=O)NC[C@@H]1CN(C(=O)CC(N)=O)CCO1 1065001306 PTNQXSCALVZNEF-CYBMUJFWSA-N 323.393 -0.211 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(C(=O)[C@@H]2[C@H]3COC[C@H]32)CCO1 1065481297 VAPWGPXGVXASJU-TTZDDIAXSA-N 318.373 -0.364 30 20 DBED COCC(=O)N1CCC[C@](CO)(Nc2ccc(C#N)nn2)C1 1066879552 JERCPWFHBONKSM-AWEZNQCLSA-N 305.338 -0.240 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCCN(C)C(=O)Cn1cnnc1O 1067243785 ZNEKIILIKUJMOX-JTQLQIEISA-N 308.342 -0.550 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@@H](CNC(=O)c3nc[nH]n3)C2)nc1 1067675375 APYLZFCZOVPFGI-WDEREUQCSA-N 313.321 -0.702 30 20 DBED C[C@H]1C[C@@H](CN=c2cc[nH]cc2C#N)CN1C(=O)CC(N)=O 1068302927 LROCCKWCPCDMIK-QWRGUYRKSA-N 301.350 -0.101 30 20 DBED CCOC1CC(C(=O)N2C[C@H](n3ccnn3)[C@H](NCC#N)C2)C1 1070188596 ICNUUHLWRRPWAF-PQAZSJQKSA-N 318.381 -0.042 30 20 DBED C=CCOCC(=O)N[C@@H]1CCCN(C(=O)C2(NC(N)=O)CC2)C1 1070633058 TVUPJWRMPKWZAS-LLVKDONJSA-N 324.381 -0.503 30 20 DBED C#CCCN1CCNC(=O)CCN(C(=O)[C@H]2CCOC2)CC1 1070944875 OEIUGPSXCCPTHM-AWEZNQCLSA-N 307.394 -0.303 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CCCN(C(=O)CCn2cnnn2)C1 1071170384 QRRQUUKVIHGTNH-CYBMUJFWSA-N 318.381 -0.170 30 20 DBED CC#CCN1C[C@@H](NC(=O)c2nnc(O)nc2O)CC[C@@H]1C 1071651984 LACJJQHFVVNUFK-UWVGGRQHSA-N 305.338 -0.111 30 20 DBED C=CCOCC(=O)N1C[C@@H](C)[C@@H](NC(=O)C(C)(C)C(N)=O)C1 1071810668 CMYJBLCIBDBJRO-MNOVXSKESA-N 311.382 -0.336 30 20 DBED C=CCCOCC(=O)N[C@H]1CCN(C(=O)CC(N)=O)C[C@H]1C 1074029510 HIZRRQKZTLTEIO-NEPJUHHUSA-N 311.382 -0.192 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)Cc3nnc(C)o3)C[C@H]21 1074232799 GBOXCLSGLSVGMM-CHWSQXEVSA-N 304.350 -0.145 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(O)(CNC(=O)c2cn(C)cn2)CC1 1074704830 JCDAZUBIDUEDIM-NSHDSACASA-N 319.365 -0.337 30 20 DBED C=CCOCC(=O)NCC[C@H](C)NC(=O)CNC(=O)NC 1075920954 AVLROGFVRGSXNV-JTQLQIEISA-N 300.359 -0.871 30 20 DBED C=CCOCC(=O)N[C@@H](C)CCNC(=O)C(=O)NCC1CC1 1078056900 TZZRXGZIWCMSSW-NSHDSACASA-N 311.382 -0.274 30 20 DBED CCS(=O)(=O)CC(=O)N[C@@H](C)CCNC(=O)[C@H](C)C#N 1078134675 FYSMPOCPXVKYBK-ZJUUUORDSA-N 303.384 -0.408 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(N(CC)C(=O)c2cnn[nH]2)C1 1080067393 XWJJTSUVDUHLAP-AWEZNQCLSA-N 307.354 -0.195 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)[C@@H]2CNC(=O)N2)C1 1080386503 NWQVNIJUKMVCFT-JQWIXIFHSA-N 324.381 -0.682 30 20 DBED CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)[C@H]2CCCC(=O)N2)C1 1080417060 VGYSICVKIRLFGH-CMPLNLGQSA-N 306.366 -0.126 30 20 DBED COCC(=O)NC[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1O 1081178056 KSUXZBRMTBSQQH-PWSUYJOCSA-N 306.322 -0.918 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)c2cnccn2)C[C@@H]1O 1081333240 QDTMODKABLXIDY-YPMHNXCESA-N 304.350 -0.008 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(C(=O)C#CC(C)C)C[C@@H]1O 1081488408 HYRCPMHPTSOLQB-CABCVRRESA-N 320.389 -0.379 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)C[C@@H]1CCS(=O)(=O)C1 1081913219 OCLJZASUGSGMAN-QJPTWQEYSA-N 315.395 -0.850 30 20 DBED CC#CCN1C[C@@H](NC(=O)c2cnc(OC)nc2)[C@H](OC)C1 1082295070 BNMPELMUUXDHEX-CHWSQXEVSA-N 304.350 -0.063 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)C[C@H]2CCCS2(=O)=O)C1 1083671259 HKCJDDHVDIRXCG-UPJWGTAASA-N 314.407 -0.862 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2OCCc3ccccc32)C1 1083689449 UXMWXBMFCDJEAX-QLFBSQMISA-N 301.346 -0.015 30 20 DBED C=CCN1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@H]1CC 1087577707 FARMYDOJGJIZOW-WDEREUQCSA-N 306.370 -0.468 30 20 DBED N#CCN1CC[C@@H](NC(=O)Cc2cnn3c2CCCC3)[C@@H](O)C1 1090336761 KYJHFYQLAKGZKV-HIFRSBDPSA-N 317.393 -0.163 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2ccc3ncn(C)c3n2)[C@H](O)C1 1090571824 CJPYEOCMKLBYPK-BXUZGUMPSA-N 313.361 -0.234 30 20 DBED CCOc1cnc(C(=O)N[C@@H]2CCN(CC#N)C[C@H]2O)cn1 1090856027 VCPUHHBHLOSJSN-ZYHUDNBSSA-N 305.338 -0.436 30 20 DBED CO[C@@H]1CN(c2ncccc2C#N)C[C@H]1NC(=O)CC(N)=O 1090877919 XXFBIEOORRGUFB-GHMZBOCLSA-N 303.322 -0.852 30 20 DBED CC(C)(O)CC(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@@H]1O 1091099284 IDDWCKNZLOQPTG-NEPJUHHUSA-N 304.350 -0.220 30 20 DBED CNC(=O)CC(=O)N[C@H]1[C@@H]2CN(c3ccc(C#N)c(C)n3)C[C@@H]21 1093241216 BCJUVHSIQWJUPQ-ATCWAGBWSA-N 313.361 -0.051 30 20 DBED C=CCN1CC(n2cc(CNC(=O)[C@@H]3CN(C)CCO3)nn2)C1 1094282478 SBDZIFJYZTYYQC-AWEZNQCLSA-N 320.397 -0.732 30 20 DBED N#Cc1cccnc1NCCCNC(=O)Cn1c(O)nnc1O 1094527475 KOGFLJMGQMFUEE-UHFFFAOYSA-N 317.309 -0.426 30 20 DBED C[C@H](NC(N)=O)C(=O)NC1CCN(c2ccc(C#N)nn2)CC1 1095408592 BSYPVWMTZZWNFR-VIFPVBQESA-N 317.353 -0.510 30 20 DBED CNC(=O)CC(=O)N(C)C1CCN(c2ccc(C#N)nn2)CC1 1096108513 UBVPUWFOYQQVEI-UHFFFAOYSA-N 316.365 -0.088 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(c2nccn3nnnc23)C1 1096334357 ICIZIQRNPONYFO-JTQLQIEISA-N 303.326 -0.583 30 20 DBED Cc1cc(C#N)nc(N2CC[C@@H](NC(=O)CC(=O)N(C)C)C2)n1 1096488750 RVIVZTPGSMSRTB-LLVKDONJSA-N 316.365 -0.170 30 20 DBED C[C@H](CNC(=O)[C@H]1CN(C)C(=O)N1)Nc1ccc(C#N)cn1 1098214048 VIEAEXITJLZDMO-MWLCHTKSSA-N 302.338 -0.107 30 20 DBED C#CCN(CCO)C1CCN(C(=O)c2[nH]c(O)nc2C)CC1 1098399253 GDHYWGNLCHEQEQ-UHFFFAOYSA-N 306.366 -0.044 30 20 DBED C=CCCC(=O)N[C@@H]1CCN(CCNS(C)(=O)=O)C[C@@H]1O 1099723081 DGNIIVUIRZSWOH-NEPJUHHUSA-N 319.427 -0.947 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(Cc2cnsn2)C[C@@H]1O 1099738716 RQPBQBMUWMFAPT-RYUDHWBXSA-N 312.395 -0.208 30 20 DBED CCc1nc(C#N)cc(N(C)CCNC(=O)CNC(C)=O)n1 1099900386 AWYLLCFCYDOAAA-UHFFFAOYSA-N 304.354 -0.401 30 20 DBED C=CCCCC(=O)N[C@H]1CCN(CC(=O)NCC#N)C[C@H]1O 1099976647 PORUZGBBOGFTCC-QWHCGFSZSA-N 308.382 -0.466 30 20 DBED CC#CCN1CC[C@H](NC(=O)CCNC(=O)C2CCC2)[C@@H](O)C1 1100031817 KUIGEFQXKBXYTP-GJZGRUSLSA-N 321.421 -0.133 30 20 DBED C#CCNC(=O)CC(=O)NCCN(C)c1nccnc1C#N 1100037782 RYVHCTNJSAZHIK-UHFFFAOYSA-N 300.322 -0.960 30 20 DBED CN(CCNC(=O)C[C@H]1CCC(=O)NC1)c1ccc(C#N)nn1 1100182471 GOECDSYEIXRBKA-LLVKDONJSA-N 316.365 -0.183 30 20 DBED CC(C)C#CC(=O)NCC1CC(NCc2nc(=O)n(C)[nH]2)C1 1100308914 CHRQPTBRDHFXPZ-UHFFFAOYSA-N 305.382 -0.248 30 20 DBED CC(=O)N[C@@H](C)C(=O)NC[C@H]1CCN(c2ccc(C#N)nn2)C1 1100921667 KZMUDQGRSJBGDY-CMPLNLGQSA-N 316.365 -0.185 30 20 DBED N#Cc1nccc(N2CC[C@@H](CNC(=O)C3(C(N)=O)CC3)C2)n1 1101048730 OKELNUGFJWXOPZ-JTQLQIEISA-N 314.349 -0.444 30 20 DBED CCc1nc(C#N)cc(NCCN(C)C(=O)[C@H]2CCNC2=O)n1 1101902702 BKRAZNLESAJQOV-NSHDSACASA-N 316.365 -0.083 30 20 DBED COCC#CCN1C[C@@H](C)[C@H](CNC(=O)[C@H](C)CC(N)=O)C1 1102222651 BHSUOGHNPDRCJF-MGPQQGTHSA-N 309.410 -0.168 30 20 DBED CC[C@@H](CNC(=O)c1nnn(C)n1)Nc1nc(C)cc(C#N)n1 1103275346 IIIWDYJSQUXNBV-VIFPVBQESA-N 315.341 -0.199 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CCN(C)C1=O)CNc1cnc(C#N)cn1 1104158905 DYJKBFZRSVMTPB-PWSUYJOCSA-N 316.365 -0.009 30 20 DBED C#CCNCc1cn(C2CN(C(=O)[C@@H]3C[C@@H]3OCC)C2)nn1 1105171150 AVVQCGBSVQXPQN-KGLIPLIRSA-N 303.366 -0.191 30 20 DBED C#CCCNCc1cn(C2CN(C(=O)Cc3cc[nH]n3)C2)nn1 1105200047 VTUGCXKZBZODGG-UHFFFAOYSA-N 313.365 -0.260 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(n2cc(CNCC#N)nn2)C1 1105240743 ZQRPYWWNMRCQHU-LLVKDONJSA-N 302.338 -0.687 30 20 DBED N#Cc1cncc(NC[C@@H]2CCC[C@@H]2NC(=O)CNC(N)=O)n1 1105635508 MVRZZGUQAABJNQ-ONGXEEELSA-N 317.353 -0.287 30 20 DBED COCC[C@H](C)C(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1 1105860105 PHDLYUGVHZVLNL-WDEREUQCSA-N 307.354 -0.668 30 20 DBED C[C@H]1CCN(CC(=O)NC[C@@H](O)CNc2nccnc2C#N)C1 1106105675 WTGKGQOZTYXPMR-NWDGAFQWSA-N 318.381 -0.421 30 20 DBED C[C@H](CCNc1ccc(C#N)nn1)NC(=O)[C@H]1C[C@H]1C(N)=O 1106570315 SMMMYKLDLYLRQB-IEBDPFPHSA-N 302.338 -0.224 30 20 DBED N#Cc1nc(=NC/C=C/CNC(=O)C2=COCCO2)cc[nH]1 1107018676 SSSUNERIHZRIOX-OWOJBTEDSA-N 301.306 -0.257 30 20 DBED Cc1cc(=NC/C=C\CNC(=O)Cn2cnnn2)c(C#N)c[nH]1 1107027262 MIHWYTWPUINMGC-IHWYPQMZSA-N 312.337 -0.545 30 20 DBED CC#CCN1CCO[C@](C)(CNC(=O)CNC(=O)C2CC2)C1 1107767915 OMGYZFCGJJRZKY-MRXNPFEDSA-N 307.394 -0.257 30 20 DBED Cc1nc(NC[C@H](C)NC(=O)Cn2cnnn2)ccc1C#N 1108247157 JPAYDHQDFRGMSA-VIFPVBQESA-N 300.326 -0.135 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)CCCC(=O)NC)CC2=O)C1 1108538163 COQJFWPHHKYDEF-LBPRGKRZSA-N 322.409 -0.510 30 20 DBED C[C@@H](CN(C)c1cncc(C#N)n1)NC(=O)CCCC(N)=O 1109011804 DGLJKSBTHUWNBG-JTQLQIEISA-N 304.354 -0.055 30 20 DBED CN1CC[C@@H](C(=O)N(C)CCCN=c2cc[nH]c(C#N)n2)C1 1109457613 AWYZZPCDXIYWPX-GFCCVEGCSA-N 302.382 -0.018 30 20 DBED CN(CCCNc1cncc(C#N)n1)C(=O)C1CS(=O)(=O)C1 1109531741 UMLGRJKXNAAMBN-UHFFFAOYSA-N 323.378 -0.347 30 20 DBED N#Cc1cnc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)CNC(N)=O)c(F)c1 1109680080 VBDDPJQLOUKLQA-QRTLGDNMSA-N 318.312 -0.546 30 20 DBED CCNC(=O)CC(=O)N[C@@H]1[C@H]2C[C@H]1N(c1cnc(C#N)cn1)C2 1109704036 JZWYWNJLPGKNCI-ZVWUFJHRSA-N 314.349 -0.432 30 20 DBED C=CCOCCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCn1cnnn1 1109882665 KEQIRHNYNZDMFQ-RDBSUJKOSA-N 320.397 -0.013 30 20 DBED Cc1cc(=NC2(CNC(=O)CNC(N)=O)CC2)c(C#N)c[nH]1 1110043310 HVNUKRIXPWWADC-UHFFFAOYSA-N 302.338 -0.587 30 20 DBED C[C@@H]1CN(C(=O)CNC(N)=O)C[C@@H]1CNc1ccc(C#N)nn1 1111240834 JGCKSBLUVBDDQK-ZJUUUORDSA-N 317.353 -0.477 30 20 DBED Cc1ncc(C(=O)N(CCO)CCNc2nccnc2C#N)[nH]1 1111427968 JCRBHEVWLRLDHY-UHFFFAOYSA-N 315.337 -0.074 30 20 DBED Cc1c[nH]nc1C(=O)N(CCO)CCNc1nccnc1C#N 1111463819 RRPZECYJNVDMKO-UHFFFAOYSA-N 315.337 -0.074 30 20 DBED N#Cc1cncc(NCCN(CCO)C(=O)c2nc[nH]n2)n1 1111496363 AEHQJPHILVDSMV-UHFFFAOYSA-N 302.298 -0.987 30 20 DBED CC(=O)NCC(=O)N1CC[C@H](CCN=c2cc[nH]c(C#N)n2)C1 1111590155 WJRVZEFLLUNJCP-LBPRGKRZSA-N 316.365 -0.443 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CCN(c2ccc(C#N)nn2)[C@@H](C)C1 1112468160 YUCMQJFNXYMTKL-CMPLNLGQSA-N 316.365 -0.042 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)[C@H](C)NC(=O)CC)CC1 1112880055 LSXUYELWQJGNRW-QWHCGFSZSA-N 322.409 -0.817 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H](C)N(C)c1ccc2nnnn2n1 1113724593 DURGJGXLQJUUHU-WDEREUQCSA-N 317.353 -0.502 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)c3cnccn3)[C@H]2C1 1113790674 KIDKISIUAHRJFW-QWRGUYRKSA-N 301.350 -0.561 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)CCOC(C)C)[C@H]2C1 1113896542 DAHRCIXOAHFQSS-IHRRRGAJSA-N 321.421 -0.014 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3oc(C)nc3C)[C@H]2C1 1114093156 KADXTGFROKLFHM-RYUDHWBXSA-N 316.361 -0.299 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H]1[C@@H]2CN(CC(=O)NC(C)(C)C)C[C@@H]21 1114271185 QREHEDFXHDGXFY-RMRHIDDWSA-N 321.421 -0.014 30 20 DBED N#CCN1C[C@@H]2C(NC(=O)CCCN3C(=O)CCC3=O)[C@H]2C1 1114371733 JWAUDKLBFSLMQG-QWRGUYRKSA-N 304.350 -0.514 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)c3cncn3C)[C@@H]2C1 1114523509 CHMNAQMGTDXRET-GHMZBOCLSA-N 303.366 -0.618 30 20 DBED C[C@H](CC(F)F)C(=O)NC1[C@H]2CN(CC(=O)NCC#N)C[C@H]12 1114581822 MOYHUJZWUDZWPB-UTLUCORTSA-N 314.336 -0.036 30 20 DBED Cc1cnoc1C(=O)NC1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]12 1115064001 ZXCOYQDUPGSWGS-NXEZZACHSA-N 303.322 -0.717 30 20 DBED C#CCN1C[C@H]2C(NC(=O)COCc3nc(CC)no3)[C@@H]2C1 1115100903 LLXKMAUNYMEBRE-GHMZBOCLSA-N 304.350 -0.172 30 20 DBED Cc1cc(C#N)nc(NCCCOCCNC(=O)CC(N)=O)n1 1115395216 AIIPBVASLPCBQK-UHFFFAOYSA-N 320.353 -0.533 30 20 DBED CC#CCCNC(=O)C(=O)NC[C@H](C)CN1CCN(CC)CC1 1117086076 QNLARQXJZNWEKJ-HNNXBMFYSA-N 322.453 -0.094 30 20 DBED C=CCOCCNC(=O)C(=O)NCc1nc(C(N)=O)cs1 1118698394 UCAODEILBUOSPU-UHFFFAOYSA-N 312.351 -0.823 30 20 DBED C[C@H](CN(C)C(=O)C1CS(=O)(=O)C1)Nc1nccnc1C#N 1120124695 VVZYOBOPHYDHMF-SECBINFHSA-N 323.378 -0.348 30 20 DBED CCCNC(=O)[C@@H](C)NC(=O)CCN/C(O)=C1\N=CC=CC1=O 1120716120 IZFDBCIFNYYWJG-NIZNLAEJSA-N 322.365 -0.066 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)CCn2ccnn2)nc1 1121364911 HHRIHQTVUSKJQN-GFCCVEGCSA-N 315.337 -0.476 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H](CO)Nc1ccc(C#N)nn1 1122037652 YBRRCJFWGMMNFY-PWSUYJOCSA-N 303.322 -0.724 30 20 DBED N#Cc1cnc(N[C@@H](CO)CNC(=O)Cc2cscn2)cn1 1122628589 BREHZVBTGNWYSQ-LLVKDONJSA-N 318.362 -0.064 30 20 DBED CC[C@@H](NC(C)=O)C(=O)NC[C@@H](CO)Nc1ccc(C#N)cn1 1122643081 BJJXWENODIILMM-QWHCGFSZSA-N 319.365 -0.243 30 20 DBED C[C@H]1C[C@H](Nc2cncc(C#N)n2)CN1C(=O)CCNC(N)=O 1123230846 JTWOYZQPXXJDMA-UWVGGRQHSA-N 317.353 -0.192 30 20 DBED N#Cc1cnc(NC[C@@H]2CC[C@@H](NC(=O)CNC(N)=O)C2)cn1 1123719456 PALQJUIAPXUZAW-NXEZZACHSA-N 317.353 -0.287 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]cc1C#N)C(=O)Cc1ncc[nH]1 1124483445 KPOKRTNCQNFEND-GFCCVEGCSA-N 314.349 -0.428 30 20 DBED C=CCCC(=O)NCCN[C@H](C)C(=O)N1CCN(C(C)=O)CC1 1124651278 QYKJZAFFQITMNR-CYBMUJFWSA-N 324.425 -0.262 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]cc1C#N)C(=O)[C@]1(F)CCOC1 1124665273 LMSKTYWFZALGBL-DOMZBBRYSA-N 322.340 -0.265 30 20 DBED C=CCOCC(=O)NCCNC[C@H](O)CO[C@@H](C)COC 1124767919 OJQJDQQWVACRFM-STQMWFEESA-N 304.387 -0.693 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCNCC(=O)NC(=O)NC1CC1 1126366177 RTGGIUBLXGRIPW-CQSZACIVSA-N 312.370 -0.993 30 20 DBED CNC(=O)NCC(=O)N(C)C1CC(Nc2nccnc2C#N)C1 1127088969 ZPVLAICTEKNEHO-UHFFFAOYSA-N 317.353 -0.321 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)c1cnc(C)nc1OC 1128919146 XCLMYKCUHUZPKE-SNVBAGLBSA-N 321.381 -0.196 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H](OC)C2CC2)C1 1128944957 MCEVRFLSVLGKQV-HZSPNIEDSA-N 303.366 -0.322 30 20 DBED C#CCN[C@@H]1CN(C(=O)COCC2CC2)C[C@@H]1n1ccnn1 1129629279 FSSDVYHDGGCMNU-KGLIPLIRSA-N 303.366 -0.321 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCN[C@@H](C)C(=O)NC1CC1 1129791119 SUESZIHZRHMVPH-JSGCOSHPSA-N 306.410 -0.543 30 20 DBED Cc1nc(C)c(CC(=O)NCCNCC(=O)NCC#N)s1 1131548381 LWKIBJZKZQEDEO-UHFFFAOYSA-N 309.395 -0.352 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)C[C@H](C)NCC(=O)NCC=C 1134130408 HHPHBUKURWMBAV-QWHCGFSZSA-N 322.409 -0.699 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NCCNCc1n[nH]c(C)n1 1134816967 JVZWHAKVLHLIGO-LBPRGKRZSA-N 308.386 -0.210 30 20 DBED CC(C)(O)CC(=O)N1CC2(CCN(CC(=O)NCC#N)C2)C1 1147462054 MPNNFKNOZONPJX-UHFFFAOYSA-N 308.382 -0.679 30 20 DBED C#Cc1ccc(C(=O)NCCNCCOCCNC(C)=O)nc1 1148370094 INSOAEMLCXZPII-UHFFFAOYSA-N 318.377 -0.465 30 20 DBED CN1CCC(OCC(=O)NC[C@@H]2CN(CC#N)CCCO2)CC1 1150507501 HEWZWHHQEZPHEG-OAHLLOKOSA-N 324.425 -0.172 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1cc(-c2ccoc2)[nH]n1 1151107071 QHISMDMPNAPXIS-UHFFFAOYSA-N 316.321 -0.371 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1cnc(OCC)cn1 1153742277 WSQBFWNJKMJWFV-UHFFFAOYSA-N 307.354 -0.503 30 20 DBED C#CCO[C@H](C)C(=O)NCCCNCC(=O)Nc1cnccn1 1157869764 QWEUPNTZAHDCNB-GFCCVEGCSA-N 319.365 -0.451 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)c1cncnc1O 1160651203 VLMOWUGNCUHTNC-SNVBAGLBSA-N 305.338 -0.970 30 20 DBED COCC1(CNC(=O)[C@@H]2CN(C)C(=O)N2)CCN(CC#N)CC1 1162391867 HDFDWBFOORIMDF-LBPRGKRZSA-N 323.397 -0.622 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)[C@H](C)n2cncn2)[C@H]1C 1178511738 DBBUHSBMGVHTLA-AVGNSLFASA-N 318.381 -0.833 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)[C@@H]2CCCCN2C)C1 1184962492 ZLWIHCZRPBXAEV-ZNMIVQPWSA-N 320.437 -0.201 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)C[C@H]3CCOC3)[C@@H]2C1 1187407965 KYTYWVHJSHWZEC-QLFBSQMISA-N 319.405 -0.305 30 20 DBED CNC(=O)NCCC(=O)N1CC[C@H]2CN(CC#CCOC)C[C@H]21 1187794726 KJTKQUVHYGMLFG-UONOGXRCSA-N 322.409 -0.512 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)CN(C)CCC)[C@@H]2C1 1189898237 HFSAUYJXPVZQFK-LSDHHAIUSA-N 320.437 -0.390 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)c2ccsc2)C1 1190922905 PGMVJKKWRFXNNX-RAIGVLPGSA-N 321.402 -0.339 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2ncoc2C)C1 1191439775 JDPKJVQSCOUJMI-GHMZBOCLSA-N 308.338 -0.940 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCCN(C(=O)CC(C)(C)O)CC1 1195659224 CMNUQRIJKYWKMY-CYBMUJFWSA-N 309.410 -0.180 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCCN(Cc2cnnn2C)CC1 1195792213 RBDDCMUDIIWUOH-ZDUSSCGKSA-N 305.382 -0.112 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)C(C)(C)NC(C)=O)C1 1196970242 YJDDTQDEASXXRQ-GHMZBOCLSA-N 303.790 -0.185 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)c2ccc(O)nc2)C1 1198304473 GJBMIRKNTIDTMI-CHWSQXEVSA-N 307.350 -0.235 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)[C@H](C)CN2CCOCC2)C1 1198699841 YTONGANSSIVSBQ-RBSFLKMASA-N 311.426 -0.308 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)COc2cccc(C(N)=O)c2)C1 1199029349 HENBHGNZGBYCFJ-ZIAGYGMSSA-N 319.361 -0.488 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(CC(=O)NC2CC2)C[C@H]1O 1199292702 QUPILONPPGHGGO-CHWSQXEVSA-N 311.382 -0.981 30 20 DBED CC(C)(C)n1nnc(C(=O)N2CCCO[C@H](CNCC#N)C2)n1 1200555017 ONCQXTXYBPJNFD-LLVKDONJSA-N 321.385 -0.228 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)C2(C(N)=O)CC2)CCCO1 1201292532 HHEAXAGZMJKMOR-CYBMUJFWSA-N 323.393 -0.891 30 20 DBED C=CCNC(=O)[C@H](C)NCC1CCN(C(=O)CC(N)=O)CC1 1204851756 CFECRXSDCGSBKB-NSHDSACASA-N 310.398 -0.619 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC(CN[C@@H]2CCNC2=O)CC1 1205264876 JOZLQHIVFQIYHY-TZMCWYRMSA-N 307.394 -0.259 30 20 DBED CCO[C@@H](CC)C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1206379581 XPZGKKXWUVKVLP-UPJWGTAASA-N 310.398 -0.122 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@H]1CCCN(C(=O)CNC(C)=O)C1 1207124834 HZJXVZLDOBAYFW-YPMHNXCESA-N 310.398 -0.606 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)c2cnccn2)[C@H](OC)C1 1211776297 GJDRCRIVAQSBAY-CHWSQXEVSA-N 319.365 -0.792 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)c2ncc[nH]2)[C@H](OC)C1 1212231155 OENDNNDXPSQQAP-QJPTWQEYSA-N 321.381 -0.471 30 20 DBED C#CCN1C[C@@H](NC(=O)CCNC(=O)C(C)(C)C)[C@H](OC)C1 1213248909 ZZKJXFCTECDFCV-CHWSQXEVSA-N 309.410 -0.013 30 20 DBED COCC#CCN1C[C@@H](NC(=O)[C@H]2CCC(=O)N2C)[C@H](OC)C1 1213323595 DFALJCODRYGLGP-MGPQQGTHSA-N 323.393 -0.928 30 20 DBED C#CCCN1C[C@@H](NC(=O)COCc2ncnn2C)[C@H](OC)C1 1213653623 HIYFVDIAVBWKJY-CHWSQXEVSA-N 321.381 -0.830 30 20 DBED C#CCCCC(=O)N1C[C@@H](NCc2nc(=O)n(C)[nH]2)[C@H](C)C1 1214529350 UKZAQSFIUMGJEP-VXGBXAGGSA-N 305.382 -0.152 30 20 DBED C=CCCN[C@@H]1CN(C(=O)CCn2cc[nH]c(=O)c2=O)C[C@H]1C 1215944563 IGLUQUJFLAZSNF-CHWSQXEVSA-N 320.393 -0.061 30 20 DBED C[C@H](NC(=O)C1CCC1)C(=O)N1CCO[C@@H]2CN(CC#N)C[C@@H]21 1219075326 SNEHSPMITGPQBR-FPMFFAJLSA-N 320.393 -0.274 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)[C@@H](C)n2cncn2)C1 1219472132 FVEPBLZFMUEABN-UPJWGTAASA-N 309.370 -0.797 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(Cc2nncs2)C[C@@H]1O 1219536154 LXUFWOQMBWIMHA-NRUUGDAUSA-N 312.395 -0.474 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2ccsc2C)C1 1219574523 DBKFCFQTTBUNGY-OLZOCXBDSA-N 321.402 -0.419 30 20 DBED C=CCN1CCC(CNC(=O)CCn2ncn(C)c2=O)CC1 1223929389 SXOFQFZFAMNMGN-UHFFFAOYSA-N 307.398 -0.014 30 20 DBED COCC#CCN1CCC(NC(=O)c2nccnc2N)CC1 1226626204 VDLOFBCGIWHHAF-UHFFFAOYSA-N 303.366 -0.097 30 20 DBED N#CCN1CCS(=O)(=O)[C@H](CCNC(=O)c2cocn2)C1 1230436205 MSTZVNPSUPMGHZ-SNVBAGLBSA-N 312.351 -0.583 30 20 DBED C#CCNC(=O)CC(=O)N(C)C[C@H]1CCN1CCC[C@H](C)O 1233808918 FDLGZCPVQKYRBM-UONOGXRCSA-N 309.410 -0.180 30 20 DBED C#CCOCCNC(=O)CCc1nc2c(O)nc(=O)n(C)c2[nH]1 1254631373 VPUCWEVXHQKINC-UHFFFAOYSA-N 319.321 -0.939 30 20 DBED N#Cc1ncn(CCNC(=O)c2ccc(-n3cncn3)nc2)n1 1258123966 KPBXYWSDYYXVCD-UHFFFAOYSA-N 309.293 -0.445 30 20 DBED C#CC1CCN(C(=O)C(=O)N2CC(N3CCCC3=O)C2)CC1 1262539010 TYNOGCDVMKBESN-UHFFFAOYSA-N 303.362 -0.309 30 20 DBED COCCCNC(=O)[C@@H](C#N)C(=O)c1cccn2c(O)nnc12 1263292775 SBZAKBDCETXHOG-JTQLQIEISA-N 317.305 -0.090 30 20 DBED CC#CC[C@H](CO)NC(=O)NCCCN1C(=O)NC(C)(C)C1=O 1263761149 UCLMKFAUYDJENN-LLVKDONJSA-N 324.381 -0.220 30 20 DBED COCC#CCN1CCC[C@H](NC(=O)CN2CCOCC2)C1 1265209647 BPEHTADREJMGFV-HNNXBMFYSA-N 309.410 -0.451 30 20 DBED N#CCCn1ccc(NC(=O)CCn2cc[nH]c(=O)c2=O)n1 1322961963 OYDLXPSPXZWSGZ-UHFFFAOYSA-N 302.294 -0.324 30 20 DBED N#CCC1(CNC(=O)C(=O)N2CCN3CCOC[C@H]3C2)CC1 1324829811 LELFGDVILVDUOO-GFCCVEGCSA-N 306.366 -0.661 30 20 DBED Cc1nc(CCNC(=O)C(=O)N2CCO[C@H](C#N)C2)cs1 1325465323 NBPAPFGDLMBXJD-LLVKDONJSA-N 308.363 -0.139 30 20 DBED CN(CCOCC1CC1)C(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1326227149 KZYANJSLOFAETH-HNNXBMFYSA-N 309.366 -0.252 30 20 DBED C[C@H](NC(=O)CSCC#N)C(=O)N1CCS(=O)(=O)CC1 1327238109 KQDYGXOBIILHTL-VIFPVBQESA-N 319.408 -0.995 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H]2C2OCCO2)CCO1 1335144803 XOHFYWSKIROFDO-WDEREUQCSA-N 309.322 -0.899 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)NCc2ncccn2)CCN1C1CC1 1335859289 SQTQZLRRSWSKLL-GFCCVEGCSA-N 314.349 -0.708 30 20 DBED Cn1cc(C(=O)[C@H](C#N)C(=O)Nc2ccccn2)c(O)nc1=O 1343292398 LLFOKOZJFWFMIP-QMMMGPOBSA-N 313.273 -0.158 30 20 DBED C#CCN(C)c1nnnn1CCCN1C(=O)NC(C)(C)C1=O 1345414486 QHEGJTOKMMZRHP-UHFFFAOYSA-N 305.342 -0.537 30 20 DBED CNC[C@@H]1CCCN1C(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1348619460 XYJHOBHMDRAVCV-KBPBESRZSA-N 319.409 -0.604 30 20 DBED CN1C(=O)[C@@H]2CN(C(=O)NC3CCN(CC#N)CC3)C[C@@H]2C1=O 1351973634 XIECUVYLULKQOT-TXEJJXNPSA-N 319.365 -0.769 30 20 DBED C=CCOCCn1nnnc1N(C)[C@H]1CCS(=O)(=O)C1 1352361700 GNKUQOOWPXXDSS-JTQLQIEISA-N 301.372 -0.501 30 20 DBED COc1ccnc(NC(=O)Cn2cc(C#N)c(O)nc2=O)c1 1362278910 OOKJNSKASGPHKL-UHFFFAOYSA-N 301.262 -0.137 30 20 DBED N#Cc1ccc(C(=O)NC[C@]2(O)CCS(=O)(=O)C2)cc1O 1362959452 QUURPEAVKIMOJH-CYBMUJFWSA-N 310.331 -0.457 30 20 DBED Cc1cc(C(=O)NCCn2cc(C#N)c(O)nc2=O)n(C)n1 1364110468 YYVUMRJFZIYNNP-UHFFFAOYSA-N 302.294 -0.708 30 20 DBED C[C@H]1CN(c2[nH]c(=O)n(C)c(=O)c2C#N)CCN1CC(C)(C)O 1364186383 YUJZUUKKPKISOW-JTQLQIEISA-N 321.381 -0.773 30 20 DBED N#CC[C@]1(O)CCN(C(=O)NC[C@@H]2CCS(=O)(=O)C2)C1 1364212614 WHFQCIYBEUCFMO-JQWIXIFHSA-N 301.368 -0.519 30 20 DBED CNC(=O)NC(=O)CN[C@@H](C)CNC(=O)c1cc(C#N)c[nH]1 1366270034 NOPNMQDOAVYXNR-QMMMGPOBSA-N 306.326 -0.950 30 20 DBED CC(=O)N(C)CC(=O)NC[C@H](C)NC(=O)c1ccc(C#N)[nH]1 1377532867 MWQSAZCKXPRIQK-VIFPVBQESA-N 305.338 -0.401 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)C12CCCN1CCC2 1389123562 LYOVATCFMCTVOO-NEPJUHHUSA-N 308.382 -0.632 30 20 DBED C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)[C@H]1CCC(=O)N1C 1389470230 MRVZPGXRMYLDJR-JOYOIKCWSA-N 317.349 -0.258 30 20 DBED C[C@@H](C#N)C(=O)NC1CN(C(=O)c2cc(C(N)=O)cs2)C1 1398678108 CJRCHABKSVEIKR-ZETCQYMHSA-N 306.347 -0.053 30 20 DBED COCCn1cc(C(=O)N2CC[C@@H](NC(=O)[C@@H](C)C#N)C2)nn1 1407102531 JWDSCHCWMOUFBS-WDEREUQCSA-N 320.353 -0.585 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C[C@@H](O)Cc2ccccc2)C1 1407398456 NXEBYGAEDRZQOK-ZFWWWQNUSA-N 317.389 -0.087 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CCN(C(=O)c2ccc(=O)n(C)c2)C1 1407557801 PZBUMEDWMFCLKM-ZYHUDNBSSA-N 302.334 -0.124 30 20 DBED CN(C)C(=O)Cn1cnc(NC(=O)N2CC[C@](O)(CC#N)C2)n1 1413522218 DUTSVQNBTQTMJC-CYBMUJFWSA-N 321.341 -0.751 30 20 DBED C[C@H](C#N)C(=O)N(C)C[C@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1 1415940462 UQGVVYZDUZNGDS-GHMZBOCLSA-N 317.349 -0.150 30 20 DBED C[C@@H](C#N)C(=O)NC1CN(C(=O)CNC(=O)c2ccncc2)C1 1416048793 ZEQDJNHMKAATNU-JTQLQIEISA-N 315.333 -0.702 30 20 DBED CC[C@H](CNC(=O)c1cccc(C(N)=O)n1)NC(=O)[C@@H](C)C#N 1416242020 NDUNYBVCILVLQK-VHSXEESVSA-N 317.349 -0.035 30 20 DBED CCN(CCNC(=O)[C@@H](C)C#N)CCN1CCCS1(=O)=O 1420371663 VEGXBRHONNCBQW-LBPRGKRZSA-N 316.427 -0.380 30 20 DBED CCN(CCNC(=O)[C@H](C)C#N)C(=O)[C@@H](C)NS(C)(=O)=O 1429683147 LXQSDUUACMGELP-NXEZZACHSA-N 318.399 -0.952 30 20 DBED CCN(CCNC(=O)c1ccc(=O)n(C)n1)C(=O)[C@H](C)C#N 1431715042 IFEWDKBYXJAFTD-SNVBAGLBSA-N 305.338 -0.482 30 20 DBED CCN(C(=O)Cn1cncn1)[C@H]1CCN(C(=O)[C@@H](C)C#N)C1 1432565573 FEVJKGUYEXGMIS-RYUDHWBXSA-N 304.354 -0.113 30 20 DBED CSc1nc(O)c(C(=O)N2C[C@H](O)C[C@H]2CO)cc1C#N 1433927328 PRAIWOKJMJNPOO-DTWKUNHWSA-N 309.347 -0.052 30 20 DBED C[C@H](CNC(=O)[C@H](C)C#N)NC(=O)c1ccc2nnnn2c1 1448169858 GGIHBMAQZXPZTJ-RKDXNWHRSA-N 301.310 -0.482 30 20 DBED COC(=O)NCC(=O)NC[C@H]1CCN1C(=O)c1cc(C#N)c[nH]1 1453105793 XSZOCJNXCKQPNA-SNVBAGLBSA-N 319.321 -0.427 30 20 DBED C[C@H](C#N)C(=O)NC1CN(C(=O)C(C)(C)CN2CCOCC2)C1 1456399851 WPFOIJJTITZJFV-GFCCVEGCSA-N 322.409 -0.169 30 20 DBED CNC(=O)NCC(=O)NCC1CN(C(=O)c2ccc(C#N)[nH]2)C1 1456507637 GUGULXSAWUUOPS-UHFFFAOYSA-N 318.337 -0.996 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC(O)(CN(C)C)CC1 1464593418 ABBCYWIJQVBVOL-LBPRGKRZSA-N 318.443 -0.289 30 20 DBED CC(=O)N1CC(C(=O)N(C)[C@@H](CNC(=O)[C@H](C)C#N)C2CC2)C1 1487649426 CERKKOPDNYIGNZ-YGRLFVJLSA-N 320.393 -0.022 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@@H]1CCCN(C(=O)Cn2cnnn2)C1 1495340459 QSXGHRSXHJGZEM-WDEREUQCSA-N 305.342 -0.718 30 20 DBED C[C@H](CC(N)=O)C(=O)N(C)CCNC(=O)c1cc(C#N)c[nH]1 1495936973 SFRFLFVLCASWPN-SECBINFHSA-N 305.338 -0.414 30 20 DBED CC[C@@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)CNC(C)=O 1498997585 OCYFHIWYUKOCAU-NSHDSACASA-N 305.338 -0.353 30 20 DBED C=CCNC(=O)NC(=O)CN1CC[C@H](NC(=O)[C@H]2CC23CC3)C1 1566674266 KNQFYJNXHROMAK-NWDGAFQWSA-N 320.393 -0.011 30 20 DBED C=CCC(C)(C)C(=O)NC[C@@H](O)CN(C)C(=O)CNC(=O)O 1573350206 GBXJHVLMNRSIRH-SNVBAGLBSA-N 315.370 -0.208 30 20 DBED C#CCN1CCC(NC(=O)CCNC(=O)[C@@H]2CCCN2)CC1 1574673165 IJMTVYPLCFXPOC-AWEZNQCLSA-N 306.410 -0.542 30 20 DBED C#C[C@@H]1CCCN(C(=O)NCCn2cnc(-c3nn[nH]n3)n2)C1 1588331789 DCHRYMAPHAOMRJ-SNVBAGLBSA-N 315.341 -0.487 30 20 DBED C=C(C)CCN[C@@H](CO)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 1588424904 PWLLPIPYPQYBQL-LLVKDONJSA-N 319.369 -0.159 30 20 DBED C=CCC[C@H](CO)NC(=O)[C@@H](C)n1cnc(-c2nn[nH]n2)n1 1588578023 UKHYQJKPEJGNKD-RKDXNWHRSA-N 306.330 -0.538 30 20 DBED C=CCCC[C@H](NC(=O)Cn1ccc(=O)n(C)c1=O)C(=O)O 1588794174 NJNYCXFIQVWDHS-JTQLQIEISA-N 309.322 -0.527 30 20 DBED C=CCN1CC[C@@H](N2C(=O)N[C@](C)(CCC(=O)O)C2=O)C1=O 1588838434 DVSFAVAVASWTBI-YMTOWFKASA-N 309.322 -0.051 30 20 DBED COc1ccc(NC(=O)NCC#CCO)cc1-c1nn[nH]n1 1591614554 IFARLSUYNHDYSE-UHFFFAOYSA-N 302.294 -0.008 30 20 DBED Cc1cc(C#N)c(O)nc1C(=O)N[C@H](CC1OCCO1)C(=O)O 1600073554 RYVQIESYHUESDL-SECBINFHSA-N 321.289 -0.087 30 20 DBED N#CCN(CCC(=O)O)C(=O)c1ccccc1OCC(N)=O 1601072338 SHNMWOPCUJDIOZ-UHFFFAOYSA-N 305.290 -0.009 30 20 DBED N#CCn1cc(NC(=O)C(=O)N[C@H](CC(=O)O)C2CC2)cn1 1601079356 WMGZTYYRVICKEY-SNVBAGLBSA-N 305.294 -0.285 30 20 DBED C#CCCN1CCN(S(=O)(=O)CC2(C(=O)O)CC2)CC1 1602708542 URIFTMAQJCGLHZ-UHFFFAOYSA-N 300.380 -0.178 30 20 DBED C[C@]1(CCC(=O)O)NC(=O)N(CN2CCOC[C@H]2C#N)C1=O 1604573063 YYSGOEQZYDJNIN-NOZJJQNGSA-N 310.310 -0.656 30 20 DBED N#CCCN(CCC#N)C(=O)Cn1cnc(-c2nn[nH]n2)n1 1606349642 UEBNHMCBAMHAEH-UHFFFAOYSA-N 300.286 -0.886 30 20 DBED CC#CC(=O)N1CCN(c2nccnc2-c2nn[nH]n2)C[C@H]1C 1609060031 VBQGQRQASAOLLU-SNVBAGLBSA-N 312.337 -0.283 30 20 DBED COC(=O)CN(CC#N)S(=O)(=O)c1csnc1C(=O)O 1610182507 KLOXHHGAJFOQIH-UHFFFAOYSA-N 319.320 -0.471 30 20 DBED Cn1cc(-n2cc(C(=O)N(CC#N)CC(=O)O)ccc2=O)cn1 1610599712 PDUYOGDSIVLGPA-UHFFFAOYSA-N 315.289 -0.379 30 20 DBED Cn1nc2c(cc1=O)CN(S(=O)(=O)CC1(C#N)CC1)CC2 1647142367 JDUJWWJLFQHNDK-UHFFFAOYSA-N 308.363 -0.228 30 20 DBED C=CCNC(=O)CNC[C@H]1CCCN1C(=O)c1cnn(C)c1 1723878153 FIVNNFBEETUBJG-CYBMUJFWSA-N 305.382 -0.084 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)c2nccnc2N)C1 1731646054 PKZLBHLYOIJQCQ-MNOVXSKESA-N 318.381 -0.446 30 20 DBED CN1CCC[C@@H]1CCC(=O)N[C@H]1C[C@@H](NCC(=O)NCC#N)C1 1752740117 TWBXAZOHVALHMI-HZSPNIEDSA-N 321.425 -0.263 30 20 DBED C#CCN1CC[C@H](CCNC(=O)[C@@H](CCC)S(N)(=O)=O)C1 1753329470 BLUCLSVAPMMTOB-QWHCGFSZSA-N 315.439 -0.095 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1CN([C@H](C)C(=O)NCCC)C1 1753402657 AANSYRCPNQKOHS-OLZOCXBDSA-N 309.410 -0.013 30 20 DBED C[C@H](C(=O)N(C)[C@@H]1CCN(CC(=O)NCC#N)C1)n1cccn1 1753429388 GNZDVZZXQLDVNH-CHWSQXEVSA-N 318.381 -0.383 30 20 DBED CC#CCNC[C@](C)(NC(=O)[C@H](C)NS(C)(=O)=O)C1CC1 1753525265 VUKLBJHQXASMBQ-FZMZJTMJSA-N 315.439 -0.178 30 20 DBED C=CCNC(=O)[C@H](C)NC[C@H](C)CNC(=O)c1cnc(O)n1C 1753625578 JNWPZHQAYCBMPM-QWRGUYRKSA-N 323.397 -0.228 30 20 DBED C#CCNC(=O)CNC/C=C\CNC(=O)c1cnn(C)c1CC 1754143112 FYMIVPIRWGWSEC-SREVYHEPSA-N 317.393 -0.393 30 20 DBED C[C@@H](CN(C)CC(=O)NCC#N)NC(=O)c1ccc(C#N)[nH]1 1754305978 UWGAHDQVBNHEBQ-JTQLQIEISA-N 302.338 -0.424 30 20 DBED CC#CCNC[C@@H](NC(=O)C(C)(C)NS(C)(=O)=O)C1CC1 1754455885 VKRCTDNSGRYODH-GFCCVEGCSA-N 315.439 -0.178 30 20 DBED COc1cc(C(=O)NC[C@H]2CCN2CC(=O)NCC#N)sn1 1754482081 HPOIMDPQPGEXRU-SECBINFHSA-N 323.378 -0.404 30 20 DBED C[C@@H](NCC#N)[C@@H]1CCN(C(=O)CCN2C(=O)CCC2=O)C1 1754800365 HZOICUGOTIOBPJ-VXGBXAGGSA-N 306.366 -0.124 30 20 DBED CC#CCN1C[C@H]2[C@H](CNC(=O)[C@H](C)N3C(=O)CCC3=O)[C@H]2C1 1755423455 AGUBQGRVWZPTOZ-XDQVBPFNSA-N 317.389 -0.159 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](CNC(=O)c3[nH]cnc3C)[C@H]2C1 1755435149 AUULXXKZSPTCCQ-XYYAHUGASA-N 317.393 -0.072 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C[C@H](O)CNCc1cnsn1 1755779063 CHTUDBHIQIDBMF-CMPLNLGQSA-N 312.395 -0.515 30 20 DBED CC(C)C#CC(=O)N(C)CC(C)(C)CNC(=O)Cn1ncnn1 1755992163 VXKIKUWHAOXLGZ-UHFFFAOYSA-N 320.397 -0.067 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H](CO)CNC(=O)c1ccc(F)nc1 1756509648 TWPCIUNIUSVMLU-CMPLNLGQSA-N 323.324 -0.534 30 20 DBED C=CCC(=O)N1CC[C@@]2(C1)CN(C(=O)Cn1cncn1)CCO2 1783914053 HJUFDLJGTBSTNY-OAHLLOKOSA-N 319.365 -0.316 30 20 DBED C[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)O)C[C@@H]21 1791266034 XLMBJXWYXCSCFP-DGORSVRFSA-N 316.423 -0.335 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnoc1C 1794829816 MCQKQLUUVNCDDU-GNXNZQSNSA-N 303.318 -0.181 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](C)NC=O 1847806155 FHJPJNLCYROTQS-RFGFWPKPSA-N 321.377 -0.639 30 20 DBED C#CCN(C)CC(=O)N(CCOC)[C@H]1CCS(=O)(=O)C1 192235221 MPZPPTVAIHIASB-LBPRGKRZSA-N 302.396 -0.787 30 20 DBED C=CCN(CC=C)C(=O)CN1CCC[C@@]2(C1)NC(=O)NC2=O 192686674 NJTUTSRCBPCOPQ-HNNXBMFYSA-N 306.366 -0.139 30 20 DBED C=CC/N=C(\NCc1nnc(C)n1C)N1CCN(C(C)=O)CC1 261966128 LKHDHUDCNBGCGF-UHFFFAOYSA-N 319.413 -0.081 30 20 DBED COC[C@H](C)N/C(N)=N/CCc1ccc(S(N)(=O)=O)cc1 264072481 GOQIYJWNSPSOFW-JTQLQIEISA-N 314.411 -0.184 30 20 DBED C=CCN(C(=O)CN1CCOCC1=O)[C@H]1CCS(=O)(=O)C1 279792644 IUBBCANYKBFGMA-NSHDSACASA-N 316.379 -0.953 30 20 DBED C=CC[C@@H](CO)NC(=O)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1 288019300 CKLNWLOUPUZTQC-RWMBFGLXSA-N 312.366 -0.554 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@]2(C#N)CC2(C)C)C1=O 291367207 CKJSIOLOILPFSR-CQSZACIVSA-N 304.306 -0.228 30 20 DBED CCn1cc(C#N)c(=O)n(Cc2nnc(C3CC3)n2C)c1=O 328914516 IXMFSFZIASONCZ-UHFFFAOYSA-N 300.322 -0.044 30 20 DBED CN(/C(O)=N/CC1(C)COC1)[C@H]1CCN(S(C)(=O)=O)C1 330194431 OTAUPLCIKMTDTK-JTQLQIEISA-N 305.400 -0.097 30 20 DBED CCC[C@@H]1C(=O)NCCN1S(=O)(=O)N1CCO[C@@H](C#N)C1 336953116 WIIKWIQQTNNPRL-WDEREUQCSA-N 316.383 -0.944 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCN(C)C(=O)[C@@H]1C 337196040 WCYYVYCXHGTMLP-MNOVXSKESA-N 302.400 -0.125 30 20 DBED N#CCCCNC(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 342673173 ZUTDKVXAFOHTSA-AAXDQBDMSA-N 305.334 -0.041 30 20 DBED N#CCCCCNC(=O)C(=O)NCC1(N2CCOCC2)CC1 343146551 GBKWOQZXRILIHB-UHFFFAOYSA-N 308.382 -0.223 30 20 DBED CC(C)NS(=O)(=O)CCNS(=O)(=O)CCCCC#N 345120078 PPKQYBBTEIJPAH-UHFFFAOYSA-N 311.429 -0.073 30 20 DBED Cc1csc(N2CCN(C(=O)NCC(=O)NCC#N)CC2)n1 358315171 PZOPKUROMXMKBD-UHFFFAOYSA-N 322.394 -0.077 30 20 DBED C=CCCCC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 370065218 AWWPEXDIUFPOEX-OLZOCXBDSA-N 316.423 -0.043 30 20 DBED C[C@@H]1OCC[C@@]12CN(C(=O)NCC(=O)NCC#N)C[C@@H](C)O2 377047590 HFWOMQBOROZHHK-UHIISALHSA-N 310.354 -0.396 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N(C)[C@H]1CCS(=O)(=O)C1 407976818 VNZURPRXAKVCEF-ZJUUUORDSA-N 309.413 -0.416 30 20 DBED C=CCn1cc(CNC(=O)c2ncn([C@@H]3CCCNC3)n2)nn1 424208727 KNNABBVNTRYATD-GFCCVEGCSA-N 316.369 -0.090 30 20 DBED C=CCNC(=O)NC(=O)CN[C@@](CC)(COC)C(=O)OC 459580576 BJASJVLDSICOHA-ZDUSSCGKSA-N 301.343 -0.444 30 20 DBED Cc1ncc(S(=O)(=O)N(C)Cc2nnnn2C)cc1C#N 489574337 SKPZCFXIVLFUNT-UHFFFAOYSA-N 307.339 -0.394 30 20 DBED COC(=O)[C@H](NS(=O)(=O)c1ccc(C#N)cc1F)[C@@H](C)O 548700211 VYRIAOQVHQAGFG-RDDDGLTNSA-N 316.310 -0.102 30 20 DBED Cc1nn(C)c(N2CCN(CCN3CCNC3=O)CC2)c1C#N 564144320 WQFOGVCDYSFYHP-UHFFFAOYSA-N 317.397 -0.253 30 20 DBED N#Cc1cc(F)ccc1S(=O)(=O)N1C[C@@H](O)[C@H](CO)C1 569745698 ZVZAMUDOURONKS-GXSJLCMTSA-N 300.311 -0.329 30 20 DBED CN(C)[C@H]1CN(CC(=O)NCc2cccc(C#N)c2)C[C@@H]1O 577074240 ZTUJCJXANPGHKI-GJZGRUSLSA-N 302.378 -0.219 30 20 DBED N#Cc1ccc(S(=O)(=O)N[C@]2(C(N)=O)CCOC2)cc1F 579494263 IZJMWAAFZCUHTN-GFCCVEGCSA-N 313.310 -0.380 30 20 DBED CCS(=O)(=O)NCCCNC(=O)[C@H](N)CCCCC#N 594435121 ASAYZKALNZCTFR-LLVKDONJSA-N 304.416 -0.157 30 20 DBED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCOC[C@H]2CO)CC1 595715984 JRUBYRXEPTWJDT-CABCVRRESA-N 324.425 -0.628 30 20 DBED C=C[C@H](O)C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 613332394 VEVBNWZGYHZMRA-RYUDHWBXSA-N 318.395 -0.814 30 20 DBED CC#CC[C@H](CO)NC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O 649193194 ZFGLFHDAXDWJJD-IAQYHMDHSA-N 307.350 -0.403 30 20 DBED CC#CC[C@H](CO)NC(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 649193624 JUDYSMXYWIRZCA-QIRZIZBZSA-N 316.357 -0.316 30 20 DBED CCCCS(=O)(=O)NCC(=O)OCC(=O)NCCC#N 760686873 LNWMRSWXTBULNK-UHFFFAOYSA-N 305.356 -0.721 30 20 DBED C=CCCCOC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 762919714 YHKOQIXHIIWTQN-UHFFFAOYSA-N 315.351 -0.099 30 20 DBED N#Cc1cccnc1NCCNC(=O)C(=O)N(CCO)C1CC1 787758575 ZTGLPGIFPDXULJ-UHFFFAOYSA-N 317.349 -0.535 30 20 DBED C#CCCCNC(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1 790186991 VELHAZJYGDBQQL-AWEZNQCLSA-N 308.426 -0.484 30 20 DBED CN(CC(F)(F)F)C(=O)Cn1cnc(C#N)c1-c1nn[nH]n1 825901909 LQYQNBGOHLLNBY-UHFFFAOYSA-N 314.231 -0.044 30 20 DBED C=CCn1cc(C(=O)OCC(=O)NCC(=O)N2CCCC2)nn1 830135307 ARDCDYHGZIBYOG-UHFFFAOYSA-N 321.337 -0.641 30 20 DBED Cc1nn(CC(=O)NCCNc2ncccc2C#N)c(=O)n1C 847387218 LNUQJGFGWLOEBU-UHFFFAOYSA-N 315.337 -0.615 30 20 DBED C#CCOCCN1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 851914301 VXULPOFNATZJHR-AWEZNQCLSA-N 316.423 -0.237 30 20 DBED C#CCCN(CCOC)C(=O)NCC(C)(C)NS(C)(=O)=O 853709384 ICESWTBPPROSAV-UHFFFAOYSA-N 319.427 -0.005 30 20 DBED C#C[C@](C)(CC)NC(=O)CN1CCN(S(C)(=O)=O)CC1 854699071 OOVKCUCRWGTZSD-CYBMUJFWSA-N 301.412 -0.518 30 20 DBED N#Cc1ccc(C(=O)N2CCC[C@H](N3CCNCC3=O)C2)[nH]1 884253065 ZCGIPLNNJLTYHA-LBPRGKRZSA-N 301.350 -0.077 30 20 DBED C#Cc1cccc(NC(=O)CNC(=O)[C@@H]2OCCN(C)C2=O)c1 900281222 JJNXWIQZYVWMOG-AWEZNQCLSA-N 315.329 -0.420 30 20 DBED C#CCNCC(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1 912333103 LXDBKEUTAJPQII-UHFFFAOYSA-N 300.318 -0.100 30 20 DBED O=C(NCC#CCO)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 923765260 BQJPPGHZUDWVIW-QWHCGFSZSA-N 301.346 -0.027 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H]2CCN(C(=O)[C@H]3CCNC3=O)C2)c1 937795804 HMZVOKSGQDOQJX-QWRGUYRKSA-N 315.333 -0.647 30 20 DBED CO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1NC(=O)Cn1ccnc1C 941871756 WTNRWQGLKBHGII-RAIGVLPGSA-N 319.365 -0.307 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)[C@@H]1CCN(C(=O)C(N)=O)C1 942811863 SCMYVCGZVAOANX-UPJWGTAASA-N 323.393 -0.098 30 20 DBED C[C@@H]1CCCN(C(=O)C(N)=O)[C@H]1CNC(=O)c1cc(C#N)c[nH]1 945800720 NHAXQNMDFVGEEK-SKDRFNHKSA-N 317.349 -0.271 30 20 DBED C#CCCN1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C[C@H]1C 947323202 IGLGFXRYCSQTDD-NEPJUHHUSA-N 318.381 -0.631 30 20 DBED CC#CCN1CC[C@H](NC(=O)CN2CCOCC2=O)C[C@H]1C 947399800 KYBMSLFWWHHPDN-KGLIPLIRSA-N 307.394 -0.162 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H]2CCN2C(=O)c2cnon2)c1 949283860 SGIGQIAZRULELK-SECBINFHSA-N 300.278 -0.086 30 20 DBED N#CCN1CCOC2(CCN(C(=O)Cn3cnnc3O)CC2)C1 949343977 ZVJAQYFVVMVLFF-UHFFFAOYSA-N 320.353 -0.799 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]1CNC(=O)c1ccc(C(N)=O)nc1 950823746 HVDXWNMNZACPSX-MWLCHTKSSA-N 315.333 -0.329 30 20 DBED O=C(NC[C@@H]1CCN1C(=O)C#CC1CC1)[C@H]1CCS(=O)(=O)C1 951042185 DMAJMLQPZUSMAS-STQMWFEESA-N 324.402 -0.448 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1nnn(C)n1 951625408 WAIMCYWFWSYSSK-MXWKQRLJSA-N 320.353 -0.868 30 20 DBED CC#CCN1C[C@@H](O)[C@@H](CNC(=O)c2ccc3nnnn3c2)C1 958254229 NJDICMMEADAQQF-QWHCGFSZSA-N 314.349 -0.830 30 20 DBED C=CCCN1C[C@H](CNC(=O)C2CCN(C(N)=O)CC2)[C@@H](O)C1 958658096 ULEJQOYEFGPYAV-KBPBESRZSA-N 324.425 -0.238 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2cc(C(N)=O)cs2)C1 958729421 VIMZVERNGLKUKC-GHMZBOCLSA-N 307.375 -0.497 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cc(C(N)=O)cs2)C1 958729424 VIMZVERNGLKUKC-WDEREUQCSA-N 307.375 -0.497 30 20 DBED CC#CCN1C[C@@H]2C(NC(=O)c3cn(CCOC)nn3)[C@H]2C1 959848579 TTWJHQFODKRAEX-RYUDHWBXSA-N 303.366 -0.392 30 20 DBED COCCn1cc(C(=O)NC2[C@@H]3CN(CC#N)C[C@@H]23)ccc1=O 960769593 SDXVFNZUQAVKLI-CHWSQXEVSA-N 316.361 -0.322 30 20 DBED CC#CCN1C[C@@H]2C(NC(=O)CN3C(=O)NC(C)(C)C3=O)[C@H]2C1 962458065 WEPRULPSXGQDPF-QWRGUYRKSA-N 318.377 -0.614 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCC2(CN(C(C)=O)C2)O1 965548990 UMTWYQWYCXXFKY-CABCVRRESA-N 319.405 -0.020 30 20 DBED C[C@H](C#N)C(=O)N1CC2(C[C@H](NC(=O)c3nc[nH]n3)CO2)C1 965769110 FZNOTUXTCFATGH-BDAKNGLRSA-N 304.310 -0.936 30 20 DBED N#CCN[C@@H]1CCN(C(=O)CN2CCCCS2(=O)=O)C1 969352424 FKUROWAROMZASE-LLVKDONJSA-N 300.384 -0.874 30 20 DBED CC(=O)N1CCO[C@@H](C(=O)N[C@@H]2CN(CC#N)CC2(C)C)C1 977538329 FWCSTSJTOFCJJT-CHWSQXEVSA-N 308.382 -0.416 30 20 DBED C[C@@H](NCc1cccc(C#N)c1)[C@H]1CN(C(=O)C(N)=O)CCO1 979357598 KWZPROOGWJHZPV-BXUZGUMPSA-N 316.361 -0.251 30 20 DBED N#CCN1C[C@@H]2CC[C@@H](NC(=O)C3CS(=O)(=O)C3)C[C@H]2C1 979735719 XDZSDFKFBKOMCF-GMXVVIOVSA-N 311.407 -0.229 30 20 DBED C#CCN1C[C@@H]2CC[C@@H](NC(=O)C3CC(=O)NC(=O)C3)C[C@H]2C1 980183284 KKXBWXQRJQYWRN-FPMFFAJLSA-N 317.389 -0.111 30 20 DBED C#CCN(C)[C@H]1CCN(C(=O)C[C@]2(C)CCS(=O)(=O)N2)C1 980262116 DMBSDFOPIZRXLX-JSGCOSHPSA-N 313.423 -0.376 30 20 DBED C[C@H]1C[C@@H](CNCc2nnn(C)n2)CN1C(=O)C#CC1CC1 980575652 RHFSUAXFBKOZCP-AAEUAGOBSA-N 302.382 -0.050 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](CNC(=O)c2ccc(=O)n(C)n2)C1 983211421 JICCGHAWEXXKIH-QWRGUYRKSA-N 317.349 -0.482 30 20 DBED C#Cc1ccc(C(=O)N2CC(NC(=O)[C@@H]3CCN(C)C3)C2)nc1 991720254 YYSJAYKBKYLDSI-CYBMUJFWSA-N 312.373 -0.045 30 20 DBED CC#CCN1CCC[C@@H](NC(=O)Cn2c(O)nnc2O)[C@H]1C 994295483 LSMWVYYXYUQDTN-GHMZBOCLSA-N 307.354 -0.318 30 20 DBED C[C@H](C#N)C(=O)N1CC(NC(=O)[C@@H]2CCCN(C(N)=O)C2)C1 995436801 FOPUPZQTNWZZBC-NXEZZACHSA-N 307.354 -0.736 30 20 DBED Cn1[nH]c(CN[C@@H]2CN(C(=O)C#CC3CC3)CC2(C)C)nc1=O 995800499 YXESQFYGPUCVMP-GFCCVEGCSA-N 317.393 -0.152 30 20 DBED C=CCN1CC[C@H](N[C@@H]2CN(C(=O)C(N)=O)CC2(C)C)C1=O 996224405 BUPLUIKVMHEUDH-WDEREUQCSA-N 308.382 -0.915 30 20 DBED Cn1nnnc1CNCC1CCN(C(=O)C#CC2CC2)CC1 997764595 PHQBBSQQNNPDHR-UHFFFAOYSA-N 302.382 -0.048 30 20 DBED N#CCN1CC[C@@H](n2cc(CNC(=O)c3csnn3)nn2)C1 1000003168 VYMGASAVJYNWEV-SNVBAGLBSA-N 318.366 -0.170 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2COCCN2C)C1 1000005411 MEWZPPDZEISRPX-MCIONIFRSA-N 323.393 -0.765 30 20 DBED C#CCN1CC=C(CNC(=O)c2cc(=O)n3[nH]cnc3n2)CC1 1001367125 TZUCTLWNFPBCAX-UHFFFAOYSA-N 312.333 -0.587 30 20 DBED C[C@H](NC(=O)c1ccc(O)nn1)C1CN(C(=O)[C@H](C)C#N)C1 1005643490 VCCUVOCRJIMHON-BDAKNGLRSA-N 303.322 -0.081 30 20 DBED C#Cc1ccc(C(=O)N[C@@H](C)C2CN(C(=O)CC(N)=O)C2)cn1 1006527428 CNIWRFRZPJECRX-JTQLQIEISA-N 314.345 -0.485 30 20 DBED C#CCCN1CCC[C@@H](NC(=O)Cn2ccc(O)nc2=O)C1 1007831046 GGZZHBBHPGYMRF-GFCCVEGCSA-N 304.350 -0.447 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H]2C(CNC(=O)c3nnn(C)n3)[C@H]2C1 1009388916 BSHHNDHSPRXULJ-GHMZBOCLSA-N 318.381 -0.144 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCN(C(=O)c2cnn[nH]2)CC1 1011314698 FGIOGRWZRBWLSM-ZDUSSCGKSA-N 316.365 -0.813 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]2CN(C(=O)C(N)=O)C[C@H]21 1021798737 PMAGSSYZOQNOSH-LOWDOPEQSA-N 321.377 -0.488 30 20 DBED C=C(Br)CN[C@H]1C[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1 1022631221 WUEMTRXTICJOCA-HRDYMLBCSA-N 317.187 -0.187 30 20 DBED C=C(C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC(=O)N2)C1 1024932386 XGSJCWQWCPYUDV-QJPTWQEYSA-N 323.393 -0.445 30 20 DBED CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H]3CC[C@H](C2)N3CC#N)O1 1029472592 OTGRLRTULJNMIS-RFQIPJPRSA-N 320.393 -0.179 30 20 DBED C#CCN1[C@H]2CC[C@H]1CN(C(=O)CN1CCC(=O)NC1=O)C2 1029543859 JUNIKFCLMHSNTQ-RYUDHWBXSA-N 304.350 -0.763 30 20 DBED N#Cc1ccc(F)cc1CN1CC(NC(=O)Cn2ncnn2)C1 1030316135 XMFRAUHAOGHBBZ-UHFFFAOYSA-N 315.312 -0.316 30 20 DBED C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCN(C)S1(=O)=O 1032677252 YSARAHVZCMDIFA-AVGNSLFASA-N 311.407 -0.671 30 20 DBED N#CCN1CCC2(CCN(C(=O)Cn3cnnc3O)CC2)C1 1035179768 ZEUHTJSNCNUENX-UHFFFAOYSA-N 304.354 -0.178 30 20 DBED CC#CCN1CCO[C@H](CNC(=O)c2ccn(C)c(=O)c2)C1 1035418101 AFXGILFFRZXQDD-CQSZACIVSA-N 303.362 -0.161 30 20 DBED C=C(Cl)CN1CCO[C@@H](CNC(=O)[C@@H]2CCC(=O)N2)C1 1035587186 YAPIRWXMYRGKIY-QWRGUYRKSA-N 301.774 -0.166 30 20 DBED C#CCCN1CCO[C@@H](CNC(=O)C2CCN(C(N)=O)CC2)C1 1035601172 UYABVZISHPTVCV-AWEZNQCLSA-N 322.409 -0.383 30 20 DBED C#CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)c1c(C)c(C)nn(C)c1=O 1037523893 BRWDJZIWPDVFAI-DYEKYZERSA-N 300.362 -0.167 30 20 DBED C#CCN1CC[C@H]1CNC(=O)c1ccccc1OCC(N)=O 1038488438 KPCVLRZLLYKEAL-LBPRGKRZSA-N 301.346 -0.012 30 20 DBED C=CCCC(=O)N1CC[C@](O)(CNC(=O)Cn2nccn2)C1 1039825621 SRPMRXYIAIGARI-AWEZNQCLSA-N 307.354 -0.676 30 20 DBED CCCN(C)CCC(=O)N1CC[C@@](O)(CNC(=O)[C@H](C)C#N)C1 1040759108 DXEGAXYVGNIRPF-CZUORRHYSA-N 324.425 -0.042 30 20 DBED CCn1cc(C(=O)N2CC[C@@](O)(CNC(=O)[C@@H](C)C#N)C2)nn1 1040759216 GDOCHAWDIGOHDL-IINYFYTJSA-N 320.353 -0.849 30 20 DBED Cc1ncc(C(=O)N[C@@H]2CN(c3ccc(C#N)nc3)C[C@H]2O)[nH]1 1040951692 HTLXSQPPTMPVDA-ZIAGYGMSSA-N 312.333 -0.036 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)CCS(C)(=O)=O)C1 1041972866 KCFFEIYELBEEKS-UHFFFAOYSA-N 318.395 -0.923 30 20 DBED C#CCCN1CC[C@H]2CCN(C(=O)Cn3ncn(C)c3=O)C[C@@H]21 1042123235 QUDQUFDLTVDDDD-KBPBESRZSA-N 317.393 -0.472 30 20 DBED C#CCCN1CC[C@H]2CCN(C(=O)C3CC(=O)NC(=O)C3)C[C@H]21 1042267076 UQCWCOQVDBKRQK-GXTWGEPZSA-N 317.389 -0.015 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)c2cc[nH]c2C)C1 1042427802 PKNFNHOLUPQKJX-UHFFFAOYSA-N 319.361 -0.334 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)C2CC(OC)C2)C1 1043035711 BJLPZJUYSUHWJF-UHFFFAOYSA-N 324.377 -0.859 30 20 DBED C[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1Nc1ccc(C#N)nn1 1043339081 WYGOWPRCOVNDIL-MWLCHTKSSA-N 313.325 -0.706 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H]2CN(c3cncc(C#N)n3)C[C@@H]21 1043681805 RXLOZUXHJHDXSI-KGYLQXTDSA-N 312.333 -0.076 30 20 DBED Cc1cc(C(=O)N[C@@H]2CN(c3ccc(C#N)cn3)C[C@@H]2O)n[nH]1 1043870323 ZNNUMQYLSXSBKM-OLZOCXBDSA-N 312.333 -0.036 30 20 DBED CCCc1cc(C(=O)NCC2(O)CN(C(=O)[C@@H](C)C#N)C2)n[nH]1 1044353863 LSQOVOFNBPSIDA-JTQLQIEISA-N 319.365 -0.175 30 20 DBED CC#CCCCC(=O)NCC1(O)CN(C(=O)c2cnn(C)n2)C1 1044994766 YTKSAYRGFXMSIN-UHFFFAOYSA-N 319.365 -0.688 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)[C@@]2(C)CCOC2)C1 1045302160 GLKFAWLBQJESFA-WFASDCNBSA-N 324.377 -0.859 30 20 DBED C[C@H]1C[C@H](C(=O)NCC2(O)CN(C(=O)C#CC3CC3)C2)CCO1 1045311983 WZPYPZGVTBXUNF-GXTWGEPZSA-N 320.389 -0.096 30 20 DBED C=CCn1cc(C(=O)N[C@]2(C)CCN([C@@H](CC)C(N)=O)C2)nn1 1046680752 HSMVWDXBYNOEDZ-SWLSCSKDSA-N 320.397 -0.078 30 20 DBED C=C(C)CN1CC[C@@](C)(NC(=O)c2cn(CC(N)=O)nn2)C1 1046854288 NCADQCQCBNIDSO-CQSZACIVSA-N 306.370 -0.466 30 20 DBED C#CCN1C[C@H]2C[C@@H](NC(=O)CN3CC(=O)N(C)C3=O)C[C@H]1C2 1047181247 HVHPEULVOHPDAO-YNEHKIRRSA-N 318.377 -0.517 30 20 DBED Cc1cccn(CC(=O)N(C)[C@H]2CN(CC#N)C[C@@H]2O)c1=O 1047379801 OBLVGBXDCBOTQX-STQMWFEESA-N 304.350 -0.816 30 20 DBED CN(C(=O)c1cnc2n1CCOC2)[C@H]1CN(CC#N)C[C@@H]1O 1047415909 NXMKPKYRAICJMF-RYUDHWBXSA-N 305.338 -0.946 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cccnc2C(N)=O)C1 1047635431 FOAPFQLFUPXDPA-STQMWFEESA-N 316.361 -0.679 30 20 DBED CC(=O)N(C)CC(=O)N(C)[C@H]1CN(C(=O)C#CC(C)C)C[C@@H]1O 1048309788 NQWDVFFZLHJYLJ-KBPBESRZSA-N 323.393 -0.846 30 20 DBED CNC(=O)NCC(=O)N[C@@H](C)[C@H]1CCN(C(=O)C#CC2CC2)C1 1050677898 BLKSSEAZEBBFSF-AAEUAGOBSA-N 320.393 -0.318 30 20 DBED C=CCN1CCOC[C@@H]1CNC(=O)[C@@H]1CCc2nnn(C)c2C1 1051088100 TUYDPIXQTYOBTH-OLZOCXBDSA-N 319.409 -0.077 30 20 DBED N#Cc1cncc(N2CC[C@H](NC(=O)c3ccon3)[C@H](O)C2)n1 1051631838 LYVFTHATTVOCSC-CMPLNLGQSA-N 314.305 -0.294 30 20 DBED CNC(=O)NCC(=O)N1C[C@@H](C)[C@H](CNC(=O)C#CC(C)C)C1 1052776352 MSUQQNHLHJOFIB-CHWSQXEVSA-N 322.409 -0.215 30 20 DBED N#CCN1CC2(C1)CN(C(=O)c1cnc3[nH]nnc3c1)CCO2 1053289171 WGDPYGJZBLRZTG-UHFFFAOYSA-N 313.321 -0.597 30 20 DBED C#CCCN1CC2(CC[C@H](CNC(=O)c3nnn(C)n3)O2)C1 1053647178 OJAAFEUGVDDFJL-LLVKDONJSA-N 304.354 -0.803 30 20 DBED CN1C[C@@H](C(=O)N2CCC[C@@]3(CCN(CC#N)C3)C2)NC1=O 1054177374 KMMJLAUIHPISJJ-WFASDCNBSA-N 305.382 -0.152 30 20 DBED C[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1NCc1nc(O)n[nH]1 1054535802 YKOXZXKAQOFCLX-GZMMTYOYSA-N 315.337 -0.040 30 20 DBED N#Cc1ccc(N2CCN(C(=O)c3c[nH]c(=O)cn3)CC2)nn1 1055990067 PTHBFEYFVHQELG-UHFFFAOYSA-N 311.305 -0.606 30 20 DBED C=CCC(C)(C)C(=O)N1CCC[C@](CO)(NC(=O)C(N)=O)C1 1056088295 CBXZRJTWCZMBOJ-HNNXBMFYSA-N 311.382 -0.456 30 20 DBED C#CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)c1ccncc1 1057583074 GKPLHXXTJZVZCT-ZDUSSCGKSA-N 319.361 -0.329 30 20 DBED N#Cc1cncc(N2CC[C@H](NC(=O)[C@H]3CCCNC3=O)C2)n1 1058467279 IGNHQGOTEFJOGL-JQWIXIFHSA-N 314.349 -0.431 30 20 DBED C=C[C@@](C)(CC)C(=O)N(CCO)CCNC(=O)c1cnnn1C 1058728106 KHSWNQIJHXTUBM-HNNXBMFYSA-N 323.397 -0.032 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H]1CCN(C(=O)[C@H](C)OC)C1 1059260303 VVNVUGIVFCUXMX-STQMWFEESA-N 323.393 -0.484 30 20 DBED N#Cc1nc(=N[C@H]2C[C@H](NC(=O)[C@H]3CCCNC3=O)C2)cc[nH]1 1059325348 DZCSBNVJVNFQOP-DCAQKATOSA-N 314.349 -0.645 30 20 DBED C=CCOCC(=O)N1CC[C@@H](CCNC(=O)CC(=O)NC)C1 1059335621 YLZOVJSGESMSBG-GFCCVEGCSA-N 311.382 -0.320 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](CCNC(=O)CN2CCOCC2)C1 1060288827 GBEFWQGEZNTMMJ-KBPBESRZSA-N 322.409 -0.167 30 20 DBED C=CCOCC(=O)N1CCOC[C@@H]1CNC(=O)C[C@H](C)OC 1061405471 CTGKUHPOSTULSW-STQMWFEESA-N 314.382 -0.042 30 20 DBED CC(C)(C)C#CC(=O)N1CCOC[C@@H]1CNC(=O)CC(N)=O 1061447923 CCYIHZXZEFUDOB-NSHDSACASA-N 309.366 -0.745 30 20 DBED Cc1cc(CC(=O)NC[C@H]2COCCN2C(=O)[C@@H](C)C#N)n[nH]1 1061495409 ASUHJYRKORFZHX-GWCFXTLKSA-N 319.365 -0.236 30 20 DBED O=C(Cn1cnnn1)NC[C@H]1CCCCN1C(=O)C#CC1CC1 1062200975 BNDGIIAFZQTMNM-CYBMUJFWSA-N 316.365 -0.416 30 20 DBED N#Cc1ccc(C(=O)NCC2(NC(=O)CNC(N)=O)CCC2)[nH]1 1062813490 AWGMWWVHSLSBTJ-UHFFFAOYSA-N 318.337 -0.677 30 20 DBED CNC(=O)CCCC(=O)N1CCO[C@H](CNC(=O)[C@@H](C)C#N)C1 1065068541 KTBKJNFGAIKYAU-NWDGAFQWSA-N 324.381 -0.594 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CN(C(=O)Cc2ccn(C)n2)CCO1 1065138479 PJQINNDDFLUVHJ-AAEUAGOBSA-N 319.365 -0.534 30 20 DBED Cc1cnn(CC(=O)NC[C@H]2CN(C(=O)[C@@H](C)C#N)CCO2)c1 1065557790 VGXBDZFZOJMCGJ-STQMWFEESA-N 319.365 -0.305 30 20 DBED Cn1nnc(C(=O)NC[C@H]2[C@@H]3CN(c4ncccc4C#N)C[C@H]23)n1 1068192194 JEJZAGBZTODWQF-CNDDSTCGSA-N 324.348 -0.411 30 20 DBED Cc1cc(=N[C@@H](C)[C@@H]2CN(C(=O)C(N)=O)CCO2)c(C#N)c[nH]1 1068243221 GWPVTRLLDBXBKW-GWCFXTLKSA-N 317.349 -0.803 30 20 DBED CC(=O)N(C)CC(=O)N1CCOC2(C1)CN(C(=O)[C@H](C)C#N)C2 1068314199 HCKKJACFPXWFPF-LLVKDONJSA-N 322.365 -0.936 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1COC2(C1)CN(C(=O)c1cn(C)cn1)C2 1069003363 MACGMNQQOLLLQU-QWRGUYRKSA-N 317.349 -0.321 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1COC2(C1)CN(C(=O)C1=COCCO1)C2 1069004703 YOKYRMUKALJSNR-MNOVXSKESA-N 321.333 -0.480 30 20 DBED CC(C)[C@@H](O)C(=O)NC1(CNC(=O)[C@@H](C)C#N)CCOCC1 1070099392 PJQLQAWDJXJICC-NWDGAFQWSA-N 311.382 -0.055 30 20 DBED C#CCN1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CCNC2=O)C1 1070419912 LITSZLIVJRQZSU-WCQYABFASA-N 315.377 -0.416 30 20 DBED C#CCOCCC(=O)N1CCC[C@@H](NC(=O)c2cn(C)nn2)C1 1070728334 OHJZDHOZQRPVPY-GFCCVEGCSA-N 319.365 -0.424 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)[C@@]23COC[C@@H]2C3)CC1 1070965793 UIHFHGRVFCRULC-BBRMVZONSA-N 307.394 -0.141 30 20 DBED C[C@@H]1COCC[C@H]1C(=O)N1CCC(=O)NCCN(CC#N)CC1 1070996395 RGARRPDOBIWRIQ-ZIAGYGMSSA-N 322.409 -0.167 30 20 DBED C=CCOCC(=O)N[C@@H]1CCCN(C(=O)[C@@]2(C)CNC(=O)C2)C1 1071003526 HTNYGSRORHJNFW-MLGOLLRUSA-N 323.393 -0.178 30 20 DBED CNC(=O)CN1CC[C@]2(C1)CN(C(=O)C#CC1CC1)C[C@H](C)O2 1071164523 OXYHTFADAXQIFP-GUYCJALGSA-N 319.405 -0.162 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1C 1072636064 LFQZISLTCOZVPD-GHMZBOCLSA-N 309.366 -0.582 30 20 DBED C=CCN1CCC2(C1)CN(C(=O)CC[C@H]1NC(=O)NC1=O)C2 1073413141 RKGMQPIDHBWTLP-LLVKDONJSA-N 306.366 -0.305 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)[C@@H]2CC(=O)N(CC)C2)C1 1073630460 VULJESUNNXPLKJ-ZIAGYGMSSA-N 307.394 -0.305 30 20 DBED N#CCN1CCO[C@H]2CCN(C(=O)c3c[nH]c(=O)cn3)C[C@@H]21 1074325008 UAUGUPBUMAIUSI-RYUDHWBXSA-N 303.322 -0.791 30 20 DBED C=CCOCC(=O)NCC[C@H](C)NC(=O)[C@H](COC)OC 1075919115 UFERSOORIZORFC-RYUDHWBXSA-N 302.371 -0.139 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)C[C@@H](C)OC 1076218929 LYUDGEWOTSWYAW-NWDGAFQWSA-N 311.382 -0.438 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)c2cc3c(cn2)OCCO3)C1 1077149623 PVVBUJUHCHOGKC-VXGBXAGGSA-N 305.334 -0.186 30 20 DBED C[C@@H](CCNC(=O)CCCC(N)=O)NC(=O)CSCC#N 1077178067 RPAGJYQXEDPHCC-JTQLQIEISA-N 314.411 -0.090 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)c2ccc(C(N)=O)s2)C1 1077831488 PXWXXOBLNZABJG-NXEZZACHSA-N 307.375 -0.355 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3n[nH]cc3C2)C1 1077996607 AJEHSIYJJCIMJW-NILFDRSVSA-N 302.378 -0.301 30 20 DBED C#CCCCC(=O)N(CC)C1CN(C(=O)[C@@H]2CNC(=O)N2)C1 1079682964 CBJNOMKAAUHPNA-LBPRGKRZSA-N 306.366 -0.469 30 20 DBED C=CCOCC(=O)NC1(CO)CCN(C(=O)[C@@H](C)OC)CC1 1080773149 JEZSTZUSCZLANL-GFCCVEGCSA-N 314.382 -0.306 30 20 DBED C=CCCC(=O)N1C[C@H](CNC(=O)CNC(=O)CC)[C@@H](O)C1 1081349271 NZQWFCCRPZZASM-RYUDHWBXSA-N 311.382 -0.586 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)COCCOC)C1 1081352722 XITFHKFKXOQIRE-QWHCGFSZSA-N 314.382 -0.449 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(C(=O)/C=C\C2CC2)C[C@H]1O 1081488852 MPKXXRCEEGUMKB-JBZXTQMFSA-N 320.389 -0.072 30 20 DBED C=CCC1(C(=O)NC[C@@H]2CN(C(=O)C(N)=O)C[C@H]2O)CCCC1 1081593419 YOEMNMXKGVXGDG-VXGBXAGGSA-N 323.393 -0.456 30 20 DBED CN(C)CCC(=O)NC[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1081732055 BXYQEFFWPSQIRM-ZIAGYGMSSA-N 307.394 -0.713 30 20 DBED C#CCCN1C[C@@H](NC(=O)C[C@H]2CCC(=O)NC2)[C@H](OC)C1 1081791955 BMBXIMPYXLWTHA-MGPQQGTHSA-N 307.394 -0.259 30 20 DBED C=CCCN1C[C@@H](NC(=O)[C@H]2CCS(=O)(=O)C2)[C@H](OC)C1 1081914246 KIFZROPONLQOIO-YNEHKIRRSA-N 316.423 -0.187 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1c(O)nnc(C)c1C 1082010453 JBLQDJUVWZSYNI-GHMZBOCLSA-N 305.338 -0.248 30 20 DBED C[C@@H]1CCN(C(=O)C(=O)N2CCO[C@@H]3CN(CC#N)C[C@@H]32)C1 1083244149 KOZDMOHQDZZPJH-FRRDWIJNSA-N 306.366 -0.710 30 20 DBED C=CCN1CC[C@@H](N2C[C@H](O)[C@H](NC(=O)c3cc[nH]c3)C2)C1=O 1083482642 NDFLDRUEDUKMIM-MCIONIFRSA-N 318.377 -0.424 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)c2ccc3nnc(O)n3c2)C1 1083857499 YXMDKCLEKOXLAG-NEPJUHHUSA-N 317.349 -0.214 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(Cc3cnon3)C[C@@H]2O)nc1 1083969431 BHLJPDVUPVBKEF-KGLIPLIRSA-N 313.317 -0.579 30 20 DBED Cn1ncc(C(F)(F)F)c1C(=O)N[C@@H]1CN(CC#N)C[C@@H]1O 1084010242 WWWHDSXSXDZYLO-BDAKNGLRSA-N 317.271 -0.263 30 20 DBED CNC(=O)CN1CC[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)[C@@H]2C1 1084287985 CUVRSSSSIBOZDG-ZWNOBZJWSA-N 301.350 -0.221 30 20 DBED CCN(c1ccncc1C#N)[C@H](C)CNC(=O)[C@H]1CNC(=O)N1 1089728912 SLIJEBHNFHOOKB-ZYHUDNBSSA-N 316.365 -0.034 30 20 DBED C#CCN1C[C@H](NC(=O)[C@H]2CCC(=O)N2)CC2(CCOCC2)C1 1089931031 QWHJSMBZJFZGKI-ZIAGYGMSSA-N 319.405 -0.115 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2cc3n(n2)CCCO3)[C@@H](O)C1 1090419923 DFQWZIYSAVJXOZ-JSGCOSHPSA-N 318.377 -0.146 30 20 DBED N#CCN1CC[C@H](NC(=O)c2ccc3nonc3c2)[C@@H](O)C1 1090537691 BQRJPYSLOBQXQE-AAEUAGOBSA-N 301.306 -0.089 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2ccc3nncn3c2)[C@@H](O)C1 1090645196 BEEWGSWTOCULEW-KBPBESRZSA-N 313.361 -0.082 30 20 DBED C#CCN1CCC(C(=O)N[C@H]2CCN(CC#CC)C[C@@H]2O)CC1 1090830017 HSMYYVQIDHXPRF-IRXDYDNUSA-N 317.433 -0.094 30 20 DBED C#CCN1CCC(C(=O)N[C@H]2CCN(CCCO)C[C@H]2O)CC1 1090830022 HZPFPTMFTCNWMZ-JKSUJKDBSA-N 323.437 -0.735 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)c2cccc(C(N)=O)n2)[C@@H](O)C1 1090838183 BWZYATRYTCBBJB-FZMZJTMJSA-N 318.377 -0.078 30 20 DBED COCCOCC(=O)NC[C@H]1C[C@H](N=c2cc[nH]c(C#N)n2)C1 1091445857 DXVNAIVFVXPABG-HAQNSBGRSA-N 319.365 -0.260 30 20 DBED CC(=O)NCC(=O)N[C@H]1CCN(c2ccncc2C#N)C[C@H]1O 1092130854 XVDAGBAMSOCIEC-GXTWGEPZSA-N 317.349 -0.855 30 20 DBED N#Cc1nc(=NCCNC(=O)c2cc(C(N)=O)cs2)cc[nH]1 1093682847 JFKUKMXMUAROBH-UHFFFAOYSA-N 316.346 -0.228 30 20 DBED Cn1cc(C(=O)NCCNc2ccc(C#N)cn2)n(C)c1=O 1093684155 WCGHXLOPJNTHJC-UHFFFAOYSA-N 300.322 -0.168 30 20 DBED CN(C)C(=O)CCCC(=O)NCCN=c1cc[nH]c(C#N)n1 1093756605 DIBVBNMPAUMMBM-UHFFFAOYSA-N 304.354 -0.443 30 20 DBED CN1C[C@H](C(=O)NCCNc2ncc(C#N)cc2F)NC1=O 1094060309 BVIMSAURZMQDRV-SNVBAGLBSA-N 306.301 -0.356 30 20 DBED CN(CC(=O)NCCNc1ccc(C#N)nn1)C(=O)C1CC1 1094190333 GINSCSGXELSIOO-UHFFFAOYSA-N 302.338 -0.255 30 20 DBED Cc1nnc(CC(=O)NCCCN=c2cc[nH]c(C#N)n2)o1 1094392298 NGFUOQXOWDLPIO-UHFFFAOYSA-N 301.310 -0.378 30 20 DBED C=C(C)CN1CC(N2C[C@H](NC(=O)C3=COCCO3)CC2=O)C1 1094694066 WTRTXZDZYZHJHD-GFCCVEGCSA-N 321.377 -0.148 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)[C@H]3CC[C@@H](C)O3)CC2=O)C1 1094788300 PPDYUBQCQCBPMW-MBNYWOFBSA-N 305.378 -0.412 30 20 DBED C[C@@H](CC(N)=O)C(=O)N1CC[C@@H](N=c2cc[nH]c(C#N)n2)C1 1095077135 KJIHYFZNGJUULT-VHSXEESVSA-N 302.338 -0.706 30 20 DBED C[C@H](CC(N)=O)C(=O)N1CCCN(c2cncc(C#N)n2)CC1 1095201807 BVVIDMOQKRKOAY-LLVKDONJSA-N 316.365 -0.102 30 20 DBED C[C@H](NC(N)=O)C(=O)N1CCC[C@H](Nc2ccc(C#N)nn2)C1 1095290887 PFKBQMFJRWWCHE-ONGXEEELSA-N 317.353 -0.192 30 20 DBED CN(CCCNC(=O)c1ncn(C)n1)c1nccnc1C#N 1095537241 DBKWDCJJZQXDOE-UHFFFAOYSA-N 300.326 -0.267 30 20 DBED N#Cc1nccc(N2CC[C@@H](NC(=O)CNC(=O)C3CC3)C2)n1 1096321575 UJQNZHRUFOLOQM-LLVKDONJSA-N 314.349 -0.431 30 20 DBED COC[C@@H](OC)C(=O)N1CC[C@H](N=c2cc[nH]c(C#N)n2)C1 1096975207 ITKGEUMHFCEXMH-WDEREUQCSA-N 305.338 -0.556 30 20 DBED N#Cc1cnc(NC[C@H]2CCCCN2C(=O)CNC(N)=O)cn1 1097473227 JHQFJEAIDHEBRN-LLVKDONJSA-N 317.353 -0.190 30 20 DBED C[C@@H](CNC(=O)CCn1cncn1)Nc1ccc(C#N)nn1 1097655084 FGTDIDWNGROGIR-JTQLQIEISA-N 300.326 -0.053 30 20 DBED C[C@H](CNC(=O)[C@H]1CCCC(=O)N1)N=c1cc[nH]cc1C#N 1098118309 YANAEDCIVTYHQE-ZWNOBZJWSA-N 301.350 -0.040 30 20 DBED Cn1ncc(C(=O)N2CCC(N(CC#N)CCO)CC2)c1N 1098350964 DZJABPWIANHYPW-UHFFFAOYSA-N 306.370 -0.575 30 20 DBED N#Cc1ccc(NC[C@@H]2CCN(C(=O)CNC(N)=O)C2)nc1 1098500867 MGTAFVDUMVJPIA-NSHDSACASA-N 302.338 -0.118 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@H](n2cc(CNCCO)nn2)C1 1098673973 WTZCSACRVRRICC-OCCSQVGLSA-N 321.381 -0.828 30 20 DBED C[C@H](CCNC(=O)[C@@H]1CNC(=O)N1)Nc1nccnc1C#N 1099682609 MDWKXKHBMQMTEK-SCZZXKLOSA-N 303.326 -0.664 30 20 DBED CN(CCNC(=O)C[C@@H]1COC(=O)C1)c1cnc(C#N)cn1 1100012504 XPFMUZFVEOBPDO-JTQLQIEISA-N 303.322 -0.146 30 20 DBED C#CCN1CC[C@@H](NC(=O)CNC(=O)c2ccco2)[C@H](O)C1 1100097042 QULGRROJTRJLIQ-VXGBXAGGSA-N 305.334 -0.806 30 20 DBED CCN(CCNC(=O)[C@@H](COC)OC)c1cnc(C#N)cn1 1100712445 TZXQFGXEPWCOQM-GFCCVEGCSA-N 307.354 -0.048 30 20 DBED C=C(C)CNC1CC(CNC(=O)[C@@H](CCC(N)=O)NC(C)=O)C1 1100763001 BWVOAKRVVUGSFR-JXQTWKCFSA-N 324.425 -0.183 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H]2CN(CCCOC)C[C@@]2(C)C1 1101205322 JLCJOLOSBRBESZ-PBHICJAKSA-N 321.421 -0.057 30 20 DBED CN1C[C@@H](C(=O)N(C)CCN=c2cc[nH]c(C#N)n2)CCC1=O 1101659054 VRQDYHAVXRBASU-NSHDSACASA-N 316.365 -0.491 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)C(=O)NCC1CC1 1101739085 UWTHVVACEHJBKK-UHFFFAOYSA-N 302.338 -0.833 30 20 DBED Cc1cc(=O)c(C(=O)N(C)CCN=c2cc[nH]c(C#N)n2)c[nH]1 1101753713 RNKBGDNRWCOGDU-UHFFFAOYSA-N 312.333 -0.049 30 20 DBED C=CCN1C[C@@H](C)[C@H](CNC(=O)CNC(=O)CNC(C)=O)C1 1102098896 GRVPAMJOMJWERX-DGCLKSJQSA-N 310.398 -0.891 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1CCNC(=O)Cn1ccc(O)nc1=O 1103199404 PIDUQUNHAMERGW-VXGBXAGGSA-N 319.365 -0.453 30 20 DBED CC[C@H](CNC(=O)C1(C(N)=O)CC1)Nc1ccc(C#N)nn1 1103281735 QSKAAJFMELBHOM-SECBINFHSA-N 302.338 -0.080 30 20 DBED C=CCOCCN1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CNC(=O)N2)C1 1103383536 BKHXISSXACCHQZ-MCIONIFRSA-N 324.425 -0.055 30 20 DBED C[C@H](CNC(=O)CN1CCOCC1)CNc1nccnc1C#N 1103915994 XYUHRQXRVVRJCS-GFCCVEGCSA-N 318.381 -0.155 30 20 DBED N#Cc1ccc(N2CCO[C@H](CNC(=O)CC(N)=O)C2)cn1 1104305739 WHTIYFFKUCQAPI-GFCCVEGCSA-N 303.322 -0.850 30 20 DBED CN(CCN(C)c1ccc(C#N)cn1)C(=O)Cn1cnnc1O 1105387605 AJHUUFJFTHMTEP-UHFFFAOYSA-N 315.337 -0.155 30 20 DBED N#Cc1nc(=NC[C@H](O)CNC(=O)C[C@@H]2CCOC2)cc[nH]1 1105760710 XLKIQCLUTAAMPI-QWRGUYRKSA-N 305.338 -0.914 30 20 DBED COCCOCC(=O)NC[C@@H](O)CNc1ncccc1C#N 1105773959 ODSZABJJAFZRKV-GFCCVEGCSA-N 308.338 -0.495 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1C 1105805044 MZRKCTPZEBZEFF-CHWSQXEVSA-N 306.370 -0.993 30 20 DBED CN(C)CCCCC(=O)NC[C@@H](O)CNc1cncc(C#N)n1 1105908628 VKGJWHBGONPDET-ZDUSSCGKSA-N 320.397 -0.031 30 20 DBED Cc1cc(=NC[C@H](O)CNC(=O)c2ccncn2)c(C#N)c[nH]1 1105930817 GOEUUPASIIWBRB-LBPRGKRZSA-N 312.333 -0.324 30 20 DBED N#Cc1nc(=NC[C@H](O)CNC(=O)C2C=CC=CC=C2)cc[nH]1 1105986109 BTJXZFVEYIJIAK-ZDUSSCGKSA-N 311.345 -0.042 30 20 DBED CN1CC[C@H](C(=O)NC[C@H](O)CNc2ccc(C#N)nc2)C1=O 1106064403 TVXCDIMXNKNKSA-CHWSQXEVSA-N 317.349 -0.679 30 20 DBED C[C@H](CNc1ccc(C#N)nn1)NC(=O)[C@@H]1CN(C)C(=O)N1 1108041462 RTWGEEUNFYHGHO-SCZZXKLOSA-N 303.326 -0.712 30 20 DBED C[C@@H](CN=c1cc[nH]cc1C#N)NC(=O)[C@@H]1COCCN1C 1108319889 LLWZOZOQIINNFM-FZMZJTMJSA-N 303.366 -0.378 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)[C@H]1CCCS1(=O)=O 1108405722 OVWGCRZDUHUOLZ-VHSXEESVSA-N 323.378 -0.736 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)CC[C@H]3CCOC3)CC2=O)C1 1108533874 FCNAPLVSSRJWSP-UONOGXRCSA-N 319.405 -0.162 30 20 DBED C=C(C)CN1CC(N2C[C@H](NC(=O)CC(=O)NC)CC2=O)C1 1108534902 UMYYXTLFYQAQBD-LLVKDONJSA-N 308.382 -0.900 30 20 DBED C=CCN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CNC(=O)CNC(C)=O)C2 1108715305 YCLRXVZZAOFEPK-MJBXVCDLSA-N 322.409 -0.606 30 20 DBED C=CCOCCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cn1cnnc1O 1109168482 YOSTZYHFJNIARU-AGIUHOORSA-N 321.381 -0.092 30 20 DBED CCS(=O)(=O)N[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC#N 1109313424 FMUDFFWGSKNUMQ-USZNOCQGSA-N 314.411 -0.441 30 20 DBED C[C@@]1(CN=c2cc[nH]c(C#N)n2)CCN(C(=O)CNC(N)=O)C1 1110829334 WOZGZDRPQQUHEA-AWEZNQCLSA-N 317.353 -0.911 30 20 DBED CNC(=O)CC(=O)N1CC[C@@](C)(CN=c2cc[nH]c(C#N)n2)C1 1110836832 SMJROXZMHOGXIR-HNNXBMFYSA-N 316.365 -0.443 30 20 DBED CC(=O)NCC(=O)N(CCO)CCNc1ccc(C#N)cn1 1111421500 KTEGIRSJWMOUKA-UHFFFAOYSA-N 305.338 -0.678 30 20 DBED C#CCOCCC(=O)N1C[C@@H](NCC(N)=O)[C@H](C(F)(F)F)C1 1112101558 SELKXRHWVFFJRC-NXEZZACHSA-N 321.299 -0.510 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(c2ccc3nnnn3n2)C[C@@H]1O 1112715713 PZACWLLFBQLCNA-MNOVXSKESA-N 317.353 -0.601 30 20 DBED C[C@@H]1COCC[C@H]1C(=O)N1CCN(CC(=O)NCC#N)CC1 1113315940 ZGLHFOUJVNKXBX-CHWSQXEVSA-N 308.382 -0.557 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)[C@]2(C)CCNC2=O)CC1 1113340877 DGFVMEFBHMZWSA-MLGOLLRUSA-N 322.409 -0.653 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)C2(C(=O)NC)CC2)CC1 1113429162 MYQXKZHZDICWQW-LBPRGKRZSA-N 322.409 -0.653 30 20 DBED C[C@H](CNC(=O)c1ncn(C)n1)N(C)c1nccnc1C#N 1113582340 FCIHMZZBBUMCCX-SECBINFHSA-N 300.326 -0.269 30 20 DBED C[C@@H]1CCN(c2cncc(C#N)n2)C[C@@H]1NC(=O)CNC(N)=O 1113998508 YUWFRSHRGVGXSF-KOLCDFICSA-N 317.353 -0.652 30 20 DBED COC(=O)CN(CC#N)C(=O)Cc1csc(-c2nc[nH]n2)n1 1116105016 CBJBWLUUEQNFIM-UHFFFAOYSA-N 320.334 -0.004 30 20 DBED C#CCOCCNC(=O)C(=O)N1C[C@@H](C)OC2(CCOCC2)C1 1117391670 RJDXECGBRQPIHX-CYBMUJFWSA-N 324.377 -0.451 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CCOC[C@H]2C2CC2)nn1 1118178038 DFKGCQICAUTEHE-ZDUSSCGKSA-N 319.365 -0.282 30 20 DBED CC1(C#N)CCN(C(=O)C(=O)N2CCOC[C@@H]2CCO)CC1 1120507996 NTEWXJRMBIWPKY-LBPRGKRZSA-N 309.366 -0.252 30 20 DBED C[C@H](CN(C)C(=O)c1c[nH]c(=O)cn1)N=c1cc[nH]c(C#N)n1 1120620129 ZXGJEABLKKHURM-SECBINFHSA-N 313.321 -0.574 30 20 DBED N#Cc1cnc(N[C@@H](CO)CNC(=O)[C@H]2COCCO2)c(F)c1 1121142709 GTPBNXMZCKQLFX-ZYHUDNBSSA-N 324.312 -0.603 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H](CO)Nc1nc(C)cc(C)n1 1121353213 OBATWQFQWWDXCA-GFCCVEGCSA-N 319.365 -0.878 30 20 DBED COCCCOCC(=O)NC[C@@H](CO)Nc1cncc(C#N)n1 1122052315 IUSFMTTYWBLWES-LBPRGKRZSA-N 323.353 -0.710 30 20 DBED C=C(C)Cn1c([C@H](C)CO)nnc1N1CCO[C@@H](C(=O)NC)C1 1122437173 YXMPLDQWWDDKOV-VXGBXAGGSA-N 323.397 -0.099 30 20 DBED C[C@@H]1CCN(CC(=O)NC[C@@H](CO)N=c2cc[nH]c(C#N)n2)C1 1122528076 SBXQQGNDPOWBSJ-NEPJUHHUSA-N 318.381 -0.999 30 20 DBED COc1ccc(C#N)cc1CNCCNC(=O)CNC(C)=O 1122667592 HWVCZTSYAUEPPZ-UHFFFAOYSA-N 304.350 -0.091 30 20 DBED CN(CC(=O)NC[C@@H](CO)Nc1ccc(C#N)nn1)C1CCC1 1122740252 CWSHAHJYHWSKEH-LBPRGKRZSA-N 318.381 -0.278 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)c2cc(C#N)c[nH]2)C1=O 1125360940 OBWGTDGYBHVUTK-LBPRGKRZSA-N 301.350 -0.007 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1ccnc2[nH]cnc12 1128390023 QTNRZOLLVHDRIV-JTQLQIEISA-N 314.349 -0.585 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1cnc2ccccc2n1 1129479005 GCFTYDRTDWSUKO-UHFFFAOYSA-N 312.333 -0.411 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)C1CC(OC)C1 1130024478 MIAGYCBJDOLNMW-UHFFFAOYSA-N 312.370 -0.871 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1cc2n(n1)CCCC2 1130048494 YQHDUXRXSKNLDW-GFCCVEGCSA-N 317.393 -0.323 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1ccc2nc[nH]c2n1 1130128988 NOVYEVVMPJFYEM-SNVBAGLBSA-N 314.349 -0.585 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@H]1Cc2ccncc2C1 1133881040 YQBHEBMNIXQVKN-JSGCOSHPSA-N 314.389 -0.360 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cc(-c2ccco2)[nH]n1 1134226617 KMNJYQYNSRBQQP-UHFFFAOYSA-N 315.333 -0.262 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)C[C@H](C)COC)C2 1148531426 YXKCDIJLAYGCPQ-AWEZNQCLSA-N 321.421 -0.057 30 20 DBED Cc1cccn(CC(=O)NC[C@H]2CN(CC#N)CCCO2)c1=O 1149720476 AJOJIDZFXKKJFL-AWEZNQCLSA-N 318.377 -0.113 30 20 DBED C=CCO[C@@H](C)C(=O)NCCNCC(=O)Nc1nncs1 1153134745 IGMQKLAGUUEFEC-VIFPVBQESA-N 313.383 -0.227 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)CN(CC)CC 1155900466 UKQUVCDUKBHLCI-CQSZACIVSA-N 310.442 -0.096 30 20 DBED C#CCCCC(=O)NCCCNCCCN1C(=O)CNC1=O 1157176468 IFTNXHBSDAMZQO-UHFFFAOYSA-N 308.382 -0.172 30 20 DBED N#CCN1CC=C(CCNC(=O)[C@@H]2CCS(=O)(=O)N2)CC1 1161888648 JDBMYRPHUMJZGS-LBPRGKRZSA-N 312.395 -0.660 30 20 DBED CC#CCN1CCC(CNC(=O)[C@@H]2CNC(=O)N2)(COC)CC1 1162442028 ZMZBWAOXOLEUOQ-ZDUSSCGKSA-N 322.409 -0.464 30 20 DBED CCO[C@@H]1C[C@H]1C(=O)NCCC1(CNCC(=O)NCC#N)CC1 1163594873 VJSKTCKMBJODHR-CHWSQXEVSA-N 322.409 -0.073 30 20 DBED CCNC(=O)CC(=O)NCCC1(CNCC(=O)NCC#N)CC1 1164182330 GQUXKWMIYXYQHR-UHFFFAOYSA-N 323.397 -0.972 30 20 DBED C#CCO[C@@H](C)C(=O)NCCC1(CNC[C@H](O)COC)CC1 1164508917 OYNZYVYCCLABDY-KBPBESRZSA-N 312.410 -0.092 30 20 DBED N#CCN1CCO[C@H]2CCN(C(=O)CNC(=O)C3CC3)C[C@H]21 1176925210 WAERVBZLEZHYJI-OLZOCXBDSA-N 306.366 -0.662 30 20 DBED C=CCOCCN1CCO[C@H]2CCN(C(=O)c3nc[nH]n3)C[C@H]21 1177118553 KBFJOFQLBWTWGA-OLZOCXBDSA-N 321.381 -0.077 30 20 DBED C[C@H]1[C@@H](NCC#N)CCN1C(=O)CCC(=O)N1CCOCC1 1180075473 PDARIWKFPJRSGQ-STQMWFEESA-N 308.382 -0.272 30 20 DBED C=CCN1CC[C@H](N[C@@H]2CCN(C(=O)CNC(C)=O)C2)C1=O 1180722888 QTQBCRWQKUWGFS-OLZOCXBDSA-N 308.382 -0.900 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@@H](NCc2nnnn2CCC)C1 1182505455 ZBXLQHUKZJWUAJ-QWHCGFSZSA-N 320.397 -0.188 30 20 DBED CC#CCN[C@@H]1CCN(C(=O)[C@@H](C)NS(=O)(=O)CC)C1 1182755882 VZKRFYWVUSZTLP-VXGBXAGGSA-N 301.412 -0.472 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC[C@H]2CN(Cc3nc(O)n[nH]3)C[C@H]21 1187763734 UDKVQIXILDRADV-RWSFTLGLSA-N 321.381 -0.130 30 20 DBED N#CCNC(=O)CN[C@@H]1CCN(C(=O)C[C@H]2CCCOC2)C1 1187879620 MNESLMHZGPDESV-CHWSQXEVSA-N 308.382 -0.367 30 20 DBED C=CCC(CC=C)C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1O 1193232407 YZDHEUCCXNJGTG-ZIAGYGMSSA-N 320.393 -0.444 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@]2(C)C[C@@H]3C[C@@H]3C2)C1 1194893283 QAAHHEGUPRFAIL-QFRSUPTLSA-N 319.405 -0.667 30 20 DBED C#CCC1(C(=O)N[C@@H]2CN([C@H](C)C(N)=O)C[C@H]2O)CCCCC1 1199278212 SCFCKEXFUJLVAW-MGPQQGTHSA-N 321.421 -0.005 30 20 DBED N#CCNC[C@@H]1CN(C(=O)c2cc(C(N)=O)ccn2)CCCO1 1202252452 YKKDBYSYVOFKHE-GFCCVEGCSA-N 317.349 -0.475 30 20 DBED C#CCN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)CCCS(N)(=O)=O)C2 1204677091 VNLYHFUYUZJUTQ-JHJVBQTASA-N 313.423 -0.343 30 20 DBED C=CCNC(=O)CNCC1CCN(C(=O)CC(=O)NC)CC1 1205080541 BPHVZPHIEPHPEV-UHFFFAOYSA-N 310.398 -0.747 30 20 DBED CC[C@H](C(=O)N1CCC(CNCC(=O)NCC#N)CC1)N(C)C 1205516307 YLFSJPDMHHGWCU-CQSZACIVSA-N 323.441 -0.205 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)[C@@H](C)n2cccn2)[C@H](C)C1 1206083117 JHNSQPPPDRNXEA-MGPQQGTHSA-N 317.393 -0.370 30 20 DBED N#CCNCC1CCN(C(=O)CN2CCC(=O)NC2=O)CC1 1206794158 JOFJTXWTMNQGTJ-UHFFFAOYSA-N 307.354 -0.720 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1206963685 LNFDUVUSWSBKGA-JHJVBQTASA-N 306.366 -0.899 30 20 DBED Cn1nnc(CN[C@H]2CCCN(C(=O)CSCC#N)C2)n1 1207409765 JKAJAVVOAUQNHK-JTQLQIEISA-N 309.399 -0.453 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCC[C@@H](NCCS(C)(=O)=O)C1 1207949659 DQQZLEBDARDPTH-OCCSQVGLSA-N 318.439 -0.061 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)CCc2ccon2)[C@H](C)C1 1207999432 HINYNBDDAVFIBZ-TZMCWYRMSA-N 318.377 -0.207 30 20 DBED C=C(C)CCN[C@@H]1CCCN(C(=O)CNS(=O)(=O)NC)C1 1208759214 RVMIRDQULLGFRN-GFCCVEGCSA-N 318.443 -0.413 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)c2ccnnc2)C1 1209798679 WLVNIXPOLMUQKO-CYBMUJFWSA-N 301.350 -0.580 30 20 DBED CO[C@@H]1CN(CCn2cncn2)C[C@H]1NC(=O)C#CC(C)C 1212241755 YENDFQBMRJUZRI-ZIAGYGMSSA-N 305.382 -0.247 30 20 DBED C#CCNC(=O)CC(=O)N1CCO[C@@H]2CN(CCC3CC3)C[C@@H]21 1217684463 OQSYSUIAUXRTIL-LSDHHAIUSA-N 319.405 -0.162 30 20 DBED C=CCOCCCC(=O)N[C@@H]1CN([C@H]2CCNC2=O)C[C@@H]1O 1219426865 SDOMUZXPHKOBEO-AGIUHOORSA-N 311.382 -0.981 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)CC2(C)CC2)C1 1220035713 SIUPJUJEEPNKRF-UPJWGTAASA-N 307.394 -0.524 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@H](CC)N2CCCC2=O)C1 1221007397 IMVBNEAEPMZVMD-RDBSUJKOSA-N 307.394 -0.428 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)CCCN(C)C)[C@@H]2C1 1221774089 RXKIVZYQJHKVMS-HUUCEWRRSA-N 320.437 -0.390 30 20 DBED CC(=O)NCCOCCN1CC[C@H]1CN(C)C(=O)[C@@H](C)C#N 1231292138 BBXHWEOYCBUHPC-JSGCOSHPSA-N 310.398 -0.169 30 20 DBED C[C@H](C(=O)N(C)C[C@@H]1CCN1CC(=O)NCC#N)n1cncn1 1233750568 GPEDYXFSKPZYKZ-NEPJUHHUSA-N 319.369 -0.988 30 20 DBED C#CCOCCNC(=O)C(=O)N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1260309058 CWSMAOOLALKIIB-XEZPLFJOSA-N 324.377 -0.453 30 20 DBED C=CCn1cc(CNC(=O)C(=O)Nc2cc(C)nn2C)nn1 1261444167 OGYHEEJWTLLDHA-UHFFFAOYSA-N 303.326 -0.239 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@@H](NC(=O)C2(COC)CC2)C1 1269147472 YLJYFFOKVANZLO-CHWSQXEVSA-N 307.394 -0.259 30 20 DBED N#CCN1CCC[C@@H](NC(=O)CCc2nnc(O)nc2O)C1 1317936445 UGKXTTSPKRLREJ-SECBINFHSA-N 306.326 -0.680 30 20 DBED O=C(CNCC(F)(F)F)NCCN/C(O)=C1/N=CC=CC1=O 1318555274 PQHPPUGDGLGCEF-KHPPLWFESA-N 320.271 -0.219 30 20 DBED CN(C)C(=O)Cn1cc(NC(=O)C(=O)NCC(C)(C)C#N)cn1 1320254974 ONMPBQITMYNIDY-UHFFFAOYSA-N 320.353 -0.424 30 20 DBED C=CCN1CC[C@H](N(C)CC2(O)CCS(=O)(=O)CC2)C1=O 1321342230 ZZUBXFIOEGYUOR-LBPRGKRZSA-N 316.423 -0.355 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(C(N)=O)c(F)c2)CCO1 1321606167 HQVIHWMADVVAPM-VIFPVBQESA-N 320.280 -0.386 30 20 DBED C#CCNC(=O)CN(C)C[C@H](C)NC(=O)[C@H](C(C)C)N(C)C 1322182013 CXHKGTINBJLZPO-ZFWWWQNUSA-N 310.442 -0.242 30 20 DBED CC1(C#N)CCN(C(=O)C(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)CC1 1324294678 ZBEBMVFGLOSXQL-WDEREUQCSA-N 322.365 -0.712 30 20 DBED CC1(C)CN(C(=O)C(=O)N2CC[C@](F)(C#N)C2)C[C@H](CO)O1 1325808452 GHDBWMWKUZMQBK-YGRLFVJLSA-N 313.329 -0.551 30 20 DBED CN(Cc1cccc(C#N)c1)C(=O)C(=O)NCCn1cncn1 1328611408 ZLJZYWRIGVLXGO-UHFFFAOYSA-N 312.333 -0.075 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N[C@H]2C[C@@H](OCC)C2)nn1 1329211920 HNWYVKPYYCYDRB-KLPPZKSPSA-N 307.354 -0.236 30 20 DBED COCCC1(CNC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)CC1 1329350183 LMTGTWZFVXHWTE-HNNXBMFYSA-N 309.366 -0.204 30 20 DBED N#CCCCNC(=O)C(=O)NC[C@H]1CCCCS1(=O)=O 1329818843 WKWKQHWCUAQZHQ-SNVBAGLBSA-N 301.368 -0.510 30 20 DBED CN(C)C(=O)N1CCN(C(=O)C(=O)NCC(C)(C)CC#N)CC1 1332109214 RIHTVSWKBFKTJQ-UHFFFAOYSA-N 323.397 -0.132 30 20 DBED C#CC[C@H]1NC(=O)N([C@@H]2CCc3nc(COC)nn3C2)C1=O 1332447606 VDOSJYOZUNNIJR-NXEZZACHSA-N 303.322 -0.317 30 20 DBED C=CCN1CC[C@@H](n2cc(CCNS(C)(=O)=O)nn2)C1=O 1336896649 PGMWYUZZEBRDQZ-LLVKDONJSA-N 313.383 -0.671 30 20 DBED C#CCOCCN(C)CC(=O)N1CCN(c2cnccn2)CC1 1339343215 HLSBCTDFJBKXSW-UHFFFAOYSA-N 317.393 -0.293 30 20 DBED N#C[C@]1(F)CCN(C(=O)C(=O)NCCCC(=O)NC2CC2)C1 1345201225 QFGUMVOAHCUIKE-CQSZACIVSA-N 310.329 -0.374 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)NCCCC(=O)NC2CC2)C1 1345845042 IQXMXCYULHZBGK-HNNXBMFYSA-N 322.365 -0.962 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N[C@H]1C[C@@H](C(=O)OC)C1 1352636351 CJPRGVYTLFRQDX-SDDRHHMPSA-N 310.350 -0.401 30 20 DBED C[C@@]1(C#N)CCCN(C(=O)C(=O)N[C@@H]2CCS(=O)(=O)C2)C1 1352825568 QQYSHYVTFHMXDO-MFKMUULPSA-N 313.379 -0.558 30 20 DBED Cc1nn(C)cc1CNC(=O)CCn1cc(C#N)c(O)nc1=O 1362569400 KQRMUCHKDWPMRZ-UHFFFAOYSA-N 316.321 -0.431 30 20 DBED N#Cc1cn(CCC(=O)NC2(CO)CCCC2)c(=O)nc1O 1362809792 FDIGUZNFBXFJGE-UHFFFAOYSA-N 306.322 -0.368 30 20 DBED N#C[C@@H]1CN(C(=O)Nc2ccc(=O)n(CC(N)=O)c2)CCO1 1366093143 JSMHAJICCIBYTF-SNVBAGLBSA-N 305.294 -0.910 30 20 DBED C=C(Br)CNC[C@@H](O)CNC(=O)CNC(=O)CC 1367581318 NOAOSZGRCITKHI-SECBINFHSA-N 322.203 -0.512 30 20 DBED CS(=O)(=O)CCN[C@H]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 1376359217 NOQFABVBGNUANW-XYPYZODXSA-N 310.379 -0.219 30 20 DBED C[C@@H](CNC(=O)CCc1cnn[nH]1)NC(=O)c1cc(C#N)c[nH]1 1392752198 ZJOYPUOPNYHUAX-VIFPVBQESA-N 315.337 -0.128 30 20 DBED C[C@H](C#N)C(=O)NC1CN(C(=O)c2cc(C(N)=O)cs2)C1 1398678099 CJRCHABKSVEIKR-SSDOTTSWSA-N 306.347 -0.053 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(CCNC(=O)c2ccnnc2)CC1 1407469451 NNUROOZBGLSQCZ-LBPRGKRZSA-N 316.365 -0.490 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)CCc1ccn(C)n1 1410132967 OBZIBFBVLXRNOG-PWSUYJOCSA-N 307.354 -0.894 30 20 DBED CC(C)c1cc(C(=O)NC[C@@H](O)CNC(=O)[C@H](C)C#N)n(C)n1 1410164084 JGGXMGCEFFQZIB-MNOVXSKESA-N 321.381 -0.090 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CN(C)C(=O)CC1CCN(C)CC1 1413253866 GPHRKGMMPZHVRS-TZMCWYRMSA-N 324.425 -0.187 30 20 DBED COCCN1C[C@H](C(=O)NCCN(C)C(=O)[C@H](C)C#N)CC1=O 1415516583 KQPJOEDHWDZTPV-VXGBXAGGSA-N 324.381 -0.784 30 20 DBED CCOC(=O)[C@H](NC(=O)Cn1cc(C#N)c(O)nc1=O)C1CC1 1417638529 IQSXDCMDMHXSFC-LLVKDONJSA-N 320.305 -0.722 30 20 DBED C=C(Cl)CN[C@@H](CC)CNC(=O)[C@@H]1CC(=O)NC(=O)N1 1419255833 WYOQWQKODPPGEJ-IUCAKERBSA-N 302.762 -0.179 30 20 DBED C[C@H](C#N)C(=O)N(C)CCN(C)C(=O)c1cc(=O)n(C)cn1 1457811149 OHLPLTLKLVOQOE-SNVBAGLBSA-N 305.338 -0.530 30 20 DBED Cn1c(=O)[nH]c(N2CCC[C@H]2C(=O)NC2CC2)c(C#N)c1=O 1472657052 XFUKUCXWNHJFFH-JTQLQIEISA-N 303.322 -0.807 30 20 DBED CCN(CCC#N)C(=O)CN1CC[C@H](CS(N)(=O)=O)C1 1473850482 RKUJQCOSWUETBR-NSHDSACASA-N 302.400 -0.641 30 20 DBED CN1CCC[C@H](NC[C@@H](O)CNC(=O)c2cc(C#N)c[nH]2)C1=O 1482718930 RMTUXRHJLJFKKI-NEPJUHHUSA-N 319.365 -0.813 30 20 DBED CCCn1nccc1C(=O)NC[C@H](O)CNC(=O)[C@@H](C)C#N 1533276054 LINUGLYEXKQNQR-WDEREUQCSA-N 307.354 -0.340 30 20 DBED CC#CC[C@@H](N)C(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1 1574961993 CHYJNAQHTZGRTQ-CYBMUJFWSA-N 315.377 -0.430 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@@H](C)NC(=O)CCCc1cnn[nH]1 1575005069 UBBQMHOQPGMBEB-VXGBXAGGSA-N 320.397 -0.640 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](CNCC(=O)NCc2cnn[nH]2)C1 1575176058 DJQTVOKAWZNBFO-MNOVXSKESA-N 319.369 -0.981 30 20 DBED CCN(CCC(=O)OC)c1cnc(C#N)c(-c2nn[nH]n2)n1 1577909316 MAVHBEUMYISGGW-UHFFFAOYSA-N 302.298 -0.082 30 20 DBED CC(=O)NCCN(C(=O)[C@@H](C)n1cnc(C#N)n1)[C@H](C)C(=O)O 1588501793 KFJFEVNAHRIGMY-RKDXNWHRSA-N 322.325 -0.851 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)[C@H]3C[C@@H]3C(=O)O)C2)cn1 1588510903 OCQZCLHHLKPKSY-STQMWFEESA-N 313.313 -0.276 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(c2ccnc(C(=O)O)n2)C[C@@H]1O 1588850835 GZOROPHXIXQSCF-ZJUUUORDSA-N 322.321 -0.957 30 20 DBED C=CCOC[C@H](NC(=O)c1c(C)c(C)nn(C)c1=O)C(=O)O 1588856651 OGESQPDHTKTEBV-JTQLQIEISA-N 309.322 -0.217 30 20 DBED COCC#CCN[C@@H](C)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 1591361177 KOTZKUXBKXOZGI-JTQLQIEISA-N 317.353 -0.448 30 20 DBED C#CCOCCC(=O)N[C@H](C)[C@@H](C)N=c1cc[nH]c(C(=O)O)n1 1602727661 CRZRREGXWRYICU-GHMZBOCLSA-N 320.349 -0.058 30 20 DBED C[C@@](C#N)(CC(=O)O)C(=O)N1CC[C@H](CS(C)(=O)=O)C1 1602778806 NPLLZUZJUZNMLG-CABZTGNLSA-N 302.352 -0.116 30 20 DBED C[C@H](Nc1cnc(-c2nn[nH]n2)c(C#N)n1)C(=O)NCCF 1603686465 JMRWSJQMLGSYJW-LURJTMIESA-N 305.277 -0.586 30 20 DBED CCC[C@H](O)[C@@H](CO)Nc1cnc(-c2nn[nH]n2)c(C#N)n1 1604143909 DVVZHDCKMZJREN-BDAKNGLRSA-N 304.314 -0.538 30 20 DBED CNS(=O)(=O)[C@@H]1CCN(c2ccc(C(=O)O)nc2C#N)C1 1606298936 MVIPTJYNGIBPDN-MRVPVSSYSA-N 310.335 -0.221 30 20 DBED N#CCNC(=O)CN1CC[C@H](NC(=O)c2cc(Cl)no2)C1 1713835251 NHUCQANEAPZPGZ-QMMMGPOBSA-N 311.729 -0.228 30 20 DBED C=CCCOCC(=O)N[C@H]1CCCN([C@H]2CCC(=O)NC2=O)C1 1732092673 GUIPPVFAHSJRME-STQMWFEESA-N 323.393 -0.035 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)CCn2cccn2)C1 1752378157 PYCJTCROULAMHC-CYBMUJFWSA-N 303.366 -0.787 30 20 DBED N#CCNC(=O)CNC[C@H]1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 1752951928 OXZSUTGPASUTHB-SYQHCUMBSA-N 320.393 -0.368 30 20 DBED C=CCNC(=O)CNC[C@@H](C)N(C)C(=O)[C@H]1CN(C)CCO1 1753687238 JOZXYLSJKQOLPR-CHWSQXEVSA-N 312.414 -0.944 30 20 DBED COCC#CCNC[C@H](NC(=O)[C@@H]1CN(C)C(=O)N1)C1CC1 1754448356 XSEBROOPKBOUTR-STQMWFEESA-N 308.382 -0.856 30 20 DBED N#CCSCC(=O)NC[C@@H]1CCN1C[C@@H](O)Cn1cccn1 1754473765 PTXXHNMLKWTNOG-QWHCGFSZSA-N 323.422 -0.309 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@]1(C)CCN(Cc2nnn(C)n2)C1 1754669640 DOSMVDMKROUTPP-RISCZKNCSA-N 306.370 -0.671 30 20 DBED COCC#CCNCC[C@H]1CCN(C(=O)c2cnn(C)n2)C1 1754935311 KAYITWNLBUFFGS-ZDUSSCGKSA-N 305.382 -0.093 30 20 DBED COCC#CCN1CCC[C@@H](NC(=O)c2nnn(C)n2)CC1 1755028709 PIVOZBQBGFTUFT-GFCCVEGCSA-N 306.370 -0.556 30 20 DBED COCC#CCNC1(C)CCN(C(=O)CNC(=O)OC)CC1 1755128331 AYNDLIUWYFGHPH-UHFFFAOYSA-N 311.382 -0.037 30 20 DBED COCC#CCNCC1(O)CCN(C(=O)c2cc(C)[nH]n2)CC1 1755148342 SELUOXIZRVCCQA-UHFFFAOYSA-N 320.393 -0.075 30 20 DBED C=CCOCCN1C[C@H]2C(CNC(=O)Cn3cncn3)[C@@H]2C1 1755435347 FDIVFTBLXFZHHW-KBPBESRZSA-N 305.382 -0.225 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)C(=O)NCC2CC2)[C@H]1C 1755665525 XUMNZLLAFXIYBG-WCQYABFASA-N 322.409 -0.606 30 20 DBED N#CCN1CC[C@]2(NC(=O)CC[C@H]3NC(=O)NC3=O)CCC[C@H]12 1755704420 LLACOXVHRGJBNX-JRPNMDOOSA-N 319.365 -0.389 30 20 DBED C#CCNC(=O)CNC[C@@H]1CC[C@H](NC(=O)c2cn(C)cn2)C1 1755730186 XXDXYBTUWMDNFF-OLZOCXBDSA-N 317.393 -0.342 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(CCO)(NC(=O)[C@@H](F)CC)C1 1756087104 VXVCELDYCXEGOU-RYUDHWBXSA-N 314.357 -0.148 30 20 DBED CCNC(=O)CC(=O)N1C[C@@H]2C(CNC(=O)C#CC3CC3)[C@H]2C1 1756199444 WRRBJXYGSSYNGO-ZIAGYGMSSA-N 317.389 -0.253 30 20 DBED C=C(C)C(C)(C)C(=O)NC[C@H](CO)NC(=O)CCn1ccnn1 1756541224 WKULDJYOABUUCL-GFCCVEGCSA-N 323.397 -0.136 30 20 DBED C=CCOCC(=O)N[C@@H]1C[C@@H](C)N(C(=O)CS(C)(=O)=O)C1 1756579329 CLXKZJKLTAVXNB-GHMZBOCLSA-N 318.395 -0.661 30 20 DBED C=C(C)C(C)(C)C(=O)N[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2)C[C@H]1O 1757022821 VPUMIKKYQWBJFV-IJLUTSLNSA-N 323.393 -0.445 30 20 DBED C=CCCCC(=O)N[C@@H]1CN(C(=O)[C@H]2CC(=O)N(C)C2)C[C@H]1O 1757029110 XWNLJNLWCZKVAA-YNEHKIRRSA-N 323.393 -0.491 30 20 DBED CO[C@@H]1CN(C(=O)[C@H](O)C(C)C)C[C@H]1NC(=O)C#CC1CC1 1757127204 AXJICOZLHIIMFW-UMVBOHGHSA-N 308.378 -0.241 30 20 DBED C#CCOCCC(=O)N[C@H]1CCN(C(=O)CC(=O)N(C)C)[C@@H]1C 1757511406 VMXKGRODCNQEOC-OLZOCXBDSA-N 323.393 -0.390 30 20 DBED CCN1C[C@H](S(=O)(=O)N[C@H](CCC#N)C(=O)O)CC1=O 1776874891 RWLSQAHDZXJCIV-RKDXNWHRSA-N 303.340 -0.716 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnc(C)[nH]1)CCO2 1783046822 PTHZWZXRAHKLFV-OAHLLOKOSA-N 302.334 -0.205 30 20 DBED C=C1CC(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C(O)O)C[C@@H]32)C1 1783460150 CAJPENXXAMMIDI-DRZSPHRISA-N 324.377 -0.757 30 20 DBED COCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)S)[C@H]2C1 1791259469 BFZGGDMUPHGLEK-RHYQMDGZSA-N 316.423 -0.069 30 20 DBED N#CCC(=O)N1CC2(CCCN2C(=O)c2cc(O)ncn2)C1 1841692722 WUYNFYKAPJLFON-UHFFFAOYSA-N 301.306 -0.087 30 20 DBED C[C@@H](S)C(=O)N1CC2(CCCN2C(=O)CS(C)(=O)=O)C1 1842780469 LCMPTBUCDFDRMS-SECBINFHSA-N 320.436 -0.447 30 20 DBED CC(C)(C#N)C(=O)N1CC2(CCCN2C(=O)Cn2cnnn2)C1 1843082600 JBFSYBGRCYFSOF-UHFFFAOYSA-N 317.353 -0.574 30 20 DBED C#CCNC(=O)[C@@H](C)OC(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O 23422560 AIMVRPWTRLORLM-UTUOFQBUSA-N 320.345 -0.157 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2C[C@H]2OCC)CC1 171975968 IQOXRECSZUYQIB-UONOGXRCSA-N 307.394 -0.305 30 20 DBED CNC(=O)[C@@H]1CN(CC(=O)NC2(C#N)CCCCC2)CCO1 184044954 MHSPHSVIRJSMBN-LBPRGKRZSA-N 308.382 -0.224 30 20 DBED COCCNC(=O)CNS(=O)(=O)c1ccc(C#N)s1 230344961 KDUYQEUNIRVCHJ-UHFFFAOYSA-N 303.365 -0.339 30 20 DBED C/N=C(/NC[C@@H]1CN(C)CCN1C)N1CCO[C@@H](COC)C1 261755714 CNSJDZYDRMDCQC-ZIAGYGMSSA-N 313.446 -0.845 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCCN[C@@H]2C)C1=O 262691832 ABEGUOBACXTNLG-ZJUUUORDSA-N 308.338 -0.780 30 20 DBED CCN(CC#N)CC(=O)c1c(N)n(CCOC)c(O)nc1=O 264256179 ZBUYZWTWDZBDFO-UHFFFAOYSA-N 309.326 -0.794 30 20 DBED C#CCSCCNC(=O)NCCCN1CCC[C@H]1C(N)=O 265823341 YMLDGDXDGPNNBR-LBPRGKRZSA-N 312.439 -0.008 30 20 DBED CC[C@H](C#N)NC(=O)c1cc(S(=O)(=O)NCCOC)c[nH]1 266802336 FQMVIWHWOUIRFN-SECBINFHSA-N 314.367 -0.029 30 20 DBED CC#CC(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 283305445 UPWWLLPVJURAJH-UHFFFAOYSA-N 315.377 -0.015 30 20 DBED C=C[C@H](CO)NS(=O)(=O)c1cccc(S(C)(=O)=O)c1 290143607 IGNHXEDFOLSKDF-SECBINFHSA-N 305.377 -0.085 30 20 DBED COC(=O)[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1F)OC 294979445 NLFCCEOVGXCCRC-LLVKDONJSA-N 323.280 -0.060 30 20 DBED C/N=c1\scc(-c2cnnn2C)n1/N=C/c1cnn(C)n1 296571454 OSPBYAJSQQAZAC-CJQUCYTHSA-N 303.355 -0.114 30 20 DBED N#C[C@@H]1CC[C@@H](N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)C1 328710506 BRVYMFRGAQFYLL-CHWSQXEVSA-N 318.377 -0.028 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)NCCN1CCCS1(=O)=O 330420055 QVCTZJCPUORHPG-JTQLQIEISA-N 324.428 -0.910 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)NC[C@@H](O)COCC1CC1 337099979 UYPSNNPLGSUBCN-ZYHUDNBSSA-N 305.400 -0.300 30 20 DBED COCC[C@](C)(C#N)NC(=O)Cn1nc2ccccn2c1=O 344941895 MLBQVFKDNHNFII-CQSZACIVSA-N 303.322 -0.069 30 20 DBED CNC(=O)CN1CCC(NC(=O)c2cnccc2C#N)CC1 345203257 BHAJPBDPGVVQFS-UHFFFAOYSA-N 301.350 -0.107 30 20 DBED CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC(=O)NCC(=O)NCC#N 347693525 XBLKVNRCZWIKND-BXKDBHETSA-N 309.370 -0.381 30 20 DBED Cc1cc(NC(=O)C(=O)N2CCN(C)CC2)nn1CCC#N 349007567 OTPGWGJLARAFIP-UHFFFAOYSA-N 304.354 -0.182 30 20 DBED COCCC(=O)N1CCN(CCC(=O)N(C)CCC#N)CC1 355675841 FUCSXYKPOAQNQV-UHFFFAOYSA-N 310.398 -0.071 30 20 DBED C=C[C@H](CO)NC(=O)N[C@H]1CCC[C@@H]1CNS(C)(=O)=O 359099446 HBCBVEPWPGOGBB-MXWKQRLJSA-N 305.400 -0.450 30 20 DBED C=CCNC(=O)NC(=O)CN1CCC[C@H](S(=O)(=O)NC)C1 360539094 PVXJHPDUAHODSY-JTQLQIEISA-N 318.399 -0.988 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCCOC(C)(C)C2)C1=O 370666006 FMBQDXHNAQWMDN-UHFFFAOYSA-N 323.349 -0.009 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N(C)[C@H]1CCS(=O)(=O)C1 407956790 WUOVLHZCJQWQEO-MNOVXSKESA-N 323.440 -0.168 30 20 DBED C=C(C)CS(=O)(=O)N1Cc2nnc(O)n2C[C@H]1C(=O)O 424391413 MYSKQZDREINILS-ZETCQYMHSA-N 302.312 -0.842 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)CNC[C@@H]2CCCO2)CC1 430767119 ZANDQLPCMAPDNL-AWEZNQCLSA-N 324.425 -0.799 30 20 DBED C[C@H]1CN(S(=O)(=O)N(C)[C@H](C)CC#N)C[C@@H](C)N1CCO 451886176 CKSUPHTVWHTNGS-UPJWGTAASA-N 318.443 -0.148 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CCO[C@H]2C(C)C)CC1 491179289 DTXQEBFPWMSKKY-HOCLYGCPSA-N 321.421 -0.059 30 20 DBED C#CCNS(=O)(=O)c1cccc(C(=O)NCC#CCO)c1 491209147 CFELXSVPBBGSHI-UHFFFAOYSA-N 306.343 -0.676 30 20 DBED C#CCN1CCN(C(=O)CN2CC[S@@](=O)C[C@H](C)C2)CC1 491807279 SAJYCRHTXAYGDA-SPLOXXLWSA-N 311.451 -0.536 30 20 DBED CNS(=O)(=O)[C@H]1CCN(C(=O)Cc2noc(C)c2C#N)C1 542784814 QDXMDHWFWZALGO-VIFPVBQESA-N 312.351 -0.453 30 20 DBED C[C@]1(C2CC2)NC(=O)N(CC(=O)N[C@]2(C#N)CCOC2)C1=O 547490146 FKYOFNVDQVINGL-KGLIPLIRSA-N 306.322 -0.494 30 20 DBED C=CCOC[C@@H](NS(=O)(=O)c1cnn(CC)c1)C(=O)O 563082017 UNVFIKOOWANBKQ-SNVBAGLBSA-N 303.340 -0.163 30 20 DBED C[C@]1(c2cccc(C(=O)NCC#CCO)c2)NC(=O)NC1=O 581736032 JHTOSPHHZCLJLL-OAHLLOKOSA-N 301.302 -0.533 30 20 DBED CN(C)c1nc(N)nc(C(=O)NC[C@@H]2CCCN(CC#N)C2)n1 584298839 OTYAWANDWMCRRC-JTQLQIEISA-N 318.385 -0.515 30 20 DBED CC(C)C[C@H](C#N)NC(=O)[C@H]1CCCN(S(N)(=O)=O)C1 597073439 HUPLDKANNXZWNC-WDEREUQCSA-N 302.400 -0.044 30 20 DBED N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@H]2C[C@H](O)C2)c1 598781025 XIEWDBFOELOTMF-XYPYZODXSA-N 309.347 -0.524 30 20 DBED Cn1cc(S(N)(=O)=O)cc1C(=O)N[C@]1(C#N)CCSC1 603887930 OBALHGVCWSIWMY-NSHDSACASA-N 314.392 -0.198 30 20 DBED N#C[C@]1(F)CCN(S(=O)(=O)CCCN2CCOCC2)C1 615546897 YLNZGWQJYMUBAC-GFCCVEGCSA-N 305.375 -0.024 30 20 DBED CCN(C[C@@H]1CCOC1)S(=O)(=O)N1CCO[C@H](C#N)C1 619708657 XKGUHTCEZFCGSS-NWDGAFQWSA-N 303.384 -0.186 30 20 DBED CN1C(=O)C[C@@H](NC(=O)CNC(=O)c2ccc(C#N)cc2)C1=O 619873247 FAVLQKRSPVRSTQ-LLVKDONJSA-N 314.301 -0.838 30 20 DBED CC#CC[C@H](CO)NC(=O)Nc1cnn(CC(=O)N(C)C)c1 646290840 KIYNBDUGYDBEKN-LLVKDONJSA-N 307.354 -0.133 30 20 DBED CC#CC[C@H](CO)NC(=O)C(=O)Nc1cc(N(C)C)ncn1 646950641 DQABHWGXMKPRII-SNVBAGLBSA-N 305.338 -0.628 30 20 DBED C#CCNS(=O)(=O)N1CCN(C[C@H](O)CCC=C)CC1 761038589 WZHPIYHFJOKPBC-CYBMUJFWSA-N 301.412 -0.601 30 20 DBED C#CCC(C)(C)C(=O)N1CCN(S(=O)(=O)N(C)C)CC1 767046246 JSLJRHRONJISHJ-UHFFFAOYSA-N 301.412 -0.014 30 20 DBED C=C(C)CN(CC)C(=O)COC(=O)CNS(=O)(=O)CC 767393003 CWJNSBBUVFLYGF-UHFFFAOYSA-N 306.384 -0.107 30 20 DBED C#C[C@@H](NC(=O)c1ccnc2c(C(N)=O)cnn12)[C@H]1CCCO1 775346495 BYVFSJSOCGXOOR-ZYHUDNBSSA-N 313.317 -0.261 30 20 DBED CN1CC[C@H](C(=O)NS(=O)(=O)CC(C)(C)C#N)CC1=O 776143891 UVIILKFPDHEUSE-VIFPVBQESA-N 301.368 -0.149 30 20 DBED C=CCNC(=S)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 786081734 BEEDCISVBDHHCV-UHFFFAOYSA-N 324.410 -0.991 30 20 DBED CCS(=O)(=O)CC(=O)O[C@@H](C)C(=O)NC1(C#N)CCC1 787661528 FVWJPDFPWGWYOV-VIFPVBQESA-N 302.352 -0.085 30 20 DBED NC(=O)c1ccc(C(=O)N[C@@H]2CCCN(O)C2=O)nc1Cl 816759155 GRQZZRNTUHDABK-MRVPVSSYSA-N 312.713 -0.056 30 20 DBED CC(C)(CCN)NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 818021192 ULZFLBVXVVYKOY-UHFFFAOYSA-N 324.406 -0.031 30 20 DBED C#CC[C@@H](CO)NC(=O)C1=NN(c2ccccc2)C(=O)[C@@H](C)N1 820065167 VBCXWQRNVGJBSC-NEPJUHHUSA-N 314.345 -0.175 30 20 DBED CCNS(=O)(=O)[C@H]1CCN(C(=O)[C@@](C)(C#N)CC(=O)O)C1 820361255 XYRWJIPVAGCYIJ-JOYOIKCWSA-N 317.367 -0.469 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)C(C)(C)SC)CC1 831585670 XPFFFEQBUPHLMK-UHFFFAOYSA-N 319.452 -0.260 30 20 DBED COC(=O)c1ccc(NCC(=O)N2CCN(C)CC2)c(C#N)n1 848662176 KXKBIAWMDLOYPU-UHFFFAOYSA-N 317.349 -0.074 30 20 DBED CNC[C@H](C)NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 852920994 HTILCEVCBPSBBT-JTQLQIEISA-N 324.406 -0.161 30 20 DBED C#CC[C@H](CO)NC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2s1 854550316 VJANMQWEDITEHC-MRVPVSSYSA-N 321.358 -0.587 30 20 DBED C=C(Cl)C[C@@H](NS(=O)(=O)CCS(C)(=O)=O)C(=O)O 863420789 NBBGOHFONZZEGY-SSDOTTSWSA-N 319.788 -0.454 30 20 DBED N#C[C@H](C(=O)CN1C(=O)NC2(CCCC2)C1=O)C(=O)NC1CC1 916926716 TYHJBKSSPZIKBK-SNVBAGLBSA-N 318.333 -0.162 30 20 DBED C#CC1(O)CN([C@H](C)C(=O)N2CCN(C(=O)OCC)CC2)C1 934446854 JBXVQEMLYCZJEN-GFCCVEGCSA-N 309.366 -0.645 30 20 DBED CN(C(=O)Cn1cnnc1O)[C@H]1CCN(C(=O)C#CC2CC2)C1 937347717 QUHGFIFWXOQGOX-LBPRGKRZSA-N 317.349 -0.544 30 20 DBED CC(=O)N1CC(C(=O)N[C@H]2CCN(C(=O)C#CC3CC3)C2)C1 937873787 DNNDGAIVWSCXFY-AWEZNQCLSA-N 303.362 -0.405 30 20 DBED CCN(C(=O)[C@H]1C[C@H]1C(N)=O)[C@@H]1CCN(C(=O)C#CC2CC2)C1 942975497 COXPXJJHROHHCO-MCIONIFRSA-N 317.389 -0.029 30 20 DBED C=CC(C)(C)C(=O)N1CCC[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 951542616 BHIZVVGZTNFGER-QWRGUYRKSA-N 308.382 -0.013 30 20 DBED CN(C(=O)c1c[nH]c(C#N)c1)C1CN(C(=O)[C@@H]2COCCO2)C1 954103505 PGENTKWOMRHYQH-ZDUSSCGKSA-N 318.333 -0.415 30 20 DBED O=C1NC[C@@H](C(=O)NC[C@@H]2CCCN2C(=O)C#CC2CC2)N1 956003801 ACUZIZPPAAYKSS-RYUDHWBXSA-N 304.350 -0.812 30 20 DBED C#CCCN1C[C@@H](O)[C@@H](CNC(=O)c2cnn3c2OCCC3)C1 958220374 XIZGIZSCFFOCBP-GXTWGEPZSA-N 318.377 -0.289 30 20 DBED COc1ccnc(O)c1C(=O)NC[C@H]1CN(CC#N)C[C@H]1O 958593906 CUXFOAASVJLPEV-VHSXEESVSA-N 306.322 -0.658 30 20 DBED C#CCOc1ncccc1C(=O)NC[C@H]1CN(CC#C)C[C@@H]1O 958593963 DWRJHLVLLHQSLQ-ZFWWWQNUSA-N 313.357 -0.251 30 20 DBED Cc1ncc(CC(=O)N(C)[C@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)o1 958869320 DLBIXBLTRZWGOW-XDTLVQLUSA-N 320.349 -0.285 30 20 DBED Cn1nnc(C(=O)NC2[C@H]3CN(Cc4ccc(C#N)cc4)C[C@H]23)n1 961504627 KJRBHIPBLJIGSK-STQMWFEESA-N 323.360 -0.058 30 20 DBED Cn1nnc(C(=O)N[C@H]2[C@@H]3CN(CC#Cc4ccccc4)C[C@@H]32)n1 961506482 SBNGQCZFTYKPQT-FICVDOATSA-N 322.372 -0.078 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@H](NC(=O)Cc2cncnc2)C1 962566065 JRPLASWZNDHKLP-OLZOCXBDSA-N 318.377 -0.081 30 20 DBED Cc1c[nH]nc1C(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 962814404 HEWFZKQFZQPLTI-NEPJUHHUSA-N 302.334 -0.567 30 20 DBED C=CCCn1cc(C(=O)N2CCOC3(CN(C(C)=O)C3)C2)nn1 965392688 PMDLLSFTAUABJL-UHFFFAOYSA-N 319.365 -0.073 30 20 DBED Cc1c[nH]nc1C(=O)N1CC2(C1)CN(C(=O)[C@H](C)C#N)CCO2 965474942 SQBYLBAWTDQIFN-SNVBAGLBSA-N 317.349 -0.069 30 20 DBED C=C[C@@](C)(CC)C(=O)N1C[C@H](O)[C@H](NC(=O)c2nc[nH]n2)C1 969743106 MPEYJUILYAFTCW-BFVZDQMLSA-N 307.354 -0.292 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)c3ncn(C)n3)C2)cn1 973234269 RYXYMLABUHMQNP-JOCQHMNTSA-N 324.344 -0.118 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)[C@@H]3CCCC(=O)N3C)[C@H]2C1 976974755 NFDMLXWTISOWQM-BYNIDDHOSA-N 318.377 -0.270 30 20 DBED CC#CCN1C[C@@H](NC(=O)c2cn(C)c(=O)nc2O)C(C)(C)C1 977592678 VIZJBXQAVXGCCF-GFCCVEGCSA-N 318.377 -0.051 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H]2C[C@@H](NC(=O)c3cnn[nH]3)C2)c1 978695115 FREQGYPOBWVCKP-WAAGHKOSSA-N 313.321 -0.057 30 20 DBED CNC(=O)c1ccc(C(=O)NCC2[C@@H]3CN(CC#N)C[C@@H]23)cn1 978998108 XXCQWGDCIIHUKN-STQMWFEESA-N 313.361 -0.128 30 20 DBED C#CCN1CCC(C(=O)N2CC[C@H](N(C)[C@H](C)C(N)=O)C2)CC1 980479417 VVWIFEWUNOPCGH-HIFRSBDPSA-N 320.437 -0.262 30 20 DBED CN1C(=O)CC[C@@H]1C(=O)NC[C@H]1CCN(C(=O)C#CC2CC2)C1 982738155 DCFZHKRCOYQOJE-ZIAGYGMSSA-N 317.389 -0.015 30 20 DBED CN(C(=O)Cn1cnnn1)[C@H]1CCCN(C(=O)C#CC2CC2)C1 984174280 IIPZDKDLNSKXFQ-ZDUSSCGKSA-N 316.365 -0.464 30 20 DBED C=C(C)CN1CCCN(C(=O)CN2CC(=O)N(C)C2=O)CC1 989473523 YLXGVSVYBFMTRH-UHFFFAOYSA-N 308.382 -0.009 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2CCOC2)C1 990413339 FODVYGLDYMCIHC-JSGCOSHPSA-N 305.378 -0.553 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC(NC(=O)c2ncc[nH]2)C1 991240331 BHQJTPGHGQLMKT-LBPRGKRZSA-N 301.350 -0.552 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NC1CN(C(=O)c2nnn(C)n2)C1 992075312 XDJDIXDHKCXHBS-MNOVXSKESA-N 320.353 -0.868 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)[C@@H]2CCc3cncn3C2)C1 994616762 SENYGGJITZCWOR-WDEREUQCSA-N 301.350 -0.068 30 20 DBED CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N2CCC[C@H](NCC#N)C2)O1 1000176226 KLEQPGHXMBXRBV-RWMBFGLXSA-N 308.382 -0.274 30 20 DBED C=CC(C)(C)C(=O)N1CC(CNC(=O)C2CC(=O)NC(=O)C2)C1 1003228303 BKRXUUHAXYPEKY-UHFFFAOYSA-N 321.377 -0.174 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H]2C(CNC(=O)[C@@H]3CNC(=O)N3)[C@H]2C1 1009446830 SEFZPJXFBDDORV-UTUOFQBUSA-N 320.393 -0.299 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1[C@@H]2CN(C(=O)C(N)=O)C[C@@H]12 1013175073 UXBBJHKAWGYVQN-XNDJQWLSSA-N 307.350 -0.974 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2C(NC(=O)c3cncnc3O)[C@H]2C1 1013295511 LYHNAVKTKWUKJL-JEZHCXPESA-N 301.306 -0.472 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2nnn(C)c2C)C1 1023272065 NPMKZSDDFGFEKU-GHMZBOCLSA-N 321.381 -0.363 30 20 DBED Cn1nnnc1CNC[C@@H]1CCCN(C(=O)C#CC2CC2)C1 1023979823 UQPHLJSUHCPXES-ZDUSSCGKSA-N 302.382 -0.048 30 20 DBED N#Cc1cc(C(=O)N2C[C@H]3CC[C@H]2[C@@H](NC(=O)C(N)=O)C3)c[nH]1 1026001735 FWFUCEPFWHAARK-UWJYBYFXSA-N 315.333 -0.519 30 20 DBED C#CCN[C@@H]1CC[C@H]2CN(C(=O)C3CC(=O)NC(=O)C3)C[C@@H]21 1026374701 INCWHABUFAMJMS-WCFLWFBJSA-N 303.362 -0.501 30 20 DBED C#CCNC1CCC(NC(=O)CN2C(=O)NC(=O)C2(C)C)CC1 1026587751 HPIHOENHQIHSMG-UHFFFAOYSA-N 320.393 -0.033 30 20 DBED C#CCN1CC[C@H](CNC(=O)[C@@H]2CC(=O)N(CCOC)C2)C1 1028577897 HPFDXIIARSPMFY-ZIAGYGMSSA-N 307.394 -0.447 30 20 DBED N#CCN1[C@H]2CC[C@H]1CN(C(=O)[C@@H]1Cc3cncn3C(=O)N1)C2 1029403209 GQKPAYNIYKCIAC-GVXVVHGQSA-N 314.349 -0.436 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(CC(=O)N2CCOCC2)C1 1030977272 GVFXDVVLTCJGFB-KGLIPLIRSA-N 323.393 -0.763 30 20 DBED CC#CCN1CC(CNC(=O)[C@@H]2CCc3nnc(O)n3C2)C1 1031781243 LBVKXBUVROEHEI-GFCCVEGCSA-N 303.366 -0.383 30 20 DBED C=CCCn1cc(C(=O)NCC2CN(CC(=O)N(C)C)C2)nn1 1032041685 WUOBPLDAHASGKK-UHFFFAOYSA-N 320.397 -0.396 30 20 DBED C#CCN[C@H]1CC[C@H](NC(=O)CN2CCCS2(=O)=O)CC1 1034659384 RMRPZFORJJHYEK-JOCQHMNTSA-N 313.423 -0.328 30 20 DBED CC(C)CN1C[C@H](C(=O)NC[C@H]2CN(CC#N)CCO2)CC1=O 1035389448 CQDCFCWIJBEDKO-KGLIPLIRSA-N 322.409 -0.169 30 20 DBED CC#CCN1CCO[C@@H](CNC(=O)[C@@H]2CCCN(C(N)=O)C2)C1 1035434787 IULBIEHROCHHLZ-KGLIPLIRSA-N 322.409 -0.383 30 20 DBED CC#CCN1CCO[C@H](CNC(=O)c2cnn(C)c2OC)C1 1035592844 KDRAMWWPOCXKBT-GFCCVEGCSA-N 306.366 -0.117 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCN1Cc1nnn(C)n1 1038807816 NBMIZEGRSPPJPS-DYEKYZERSA-N 320.397 -0.118 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CCC[C@H](C1)N2Cc1nc(=O)n(C)[nH]1 1039531483 PUEREZCNMNJJCI-SDDRHHMPSA-N 318.381 -0.167 30 20 DBED CC(C)C#CC(=O)NC[C@]1(O)CCN(C(=O)Cc2cc[nH]n2)C1 1039664859 YRLPSBBCDFPNIG-MRXNPFEDSA-N 318.377 -0.309 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCO3)C2)nn1 1040898418 LBHXWRVKDLHJBN-IJLUTSLNSA-N 303.322 -0.807 30 20 DBED Cc1nc(C(=O)N2CC(O)(CNC(=O)CSCC#N)C2)co1 1041568228 FVFRINMCGIFZIH-UHFFFAOYSA-N 324.362 -0.457 30 20 DBED C#CCN1CC[C@@H]2CCN(C(=O)c3cn(C)c(=O)nc3O)C[C@@H]21 1042355407 YDVGSHRWTNDZML-YPMHNXCESA-N 316.361 -0.345 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)CCc2nc[nH]n2)C1 1042802212 GHUOILPHSDKYSU-UHFFFAOYSA-N 319.365 -0.770 30 20 DBED CO[C@H](C(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1)C1CCC1 1042965266 ZKPXYOCZTAMOGX-HNNXBMFYSA-N 320.389 -0.096 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)[C@]2(C)CCOC2)C1 1043040138 OIEUGWUAEKHFHP-IUODEOHRSA-N 324.377 -0.859 30 20 DBED Cc1cc(=N[C@@H]2CN(C(=O)CC(N)=O)C[C@H]2C)c(C#N)c[nH]1 1043106422 FCSVPDQKXSDUNO-NOZJJQNGSA-N 301.350 -0.182 30 20 DBED C=CCCOCC(=O)NCC1(O)CN(C(=O)Cn2cccn2)C1 1043564633 HQUXNYXQUHWLER-UHFFFAOYSA-N 322.365 -0.835 30 20 DBED Cc1cc(C(=O)N[C@@H]2CN(c3cncc(C#N)n3)C[C@@H]2O)n[nH]1 1043869264 MVMXWAKFYSGKHZ-NEPJUHHUSA-N 313.321 -0.641 30 20 DBED C=C(C)C(C)(C)C(=O)NCC1(O)CN(C(=O)[C@H]2CCNC2=O)C1 1044410370 RKQDTLOPFKKCBF-NSHDSACASA-N 323.393 -0.586 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)c2cc(=O)n(C)o2)C1 1044456724 ZBHGCLRTJPFKQG-UHFFFAOYSA-N 323.349 -0.506 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3nn[nH]c3n2)C1 1047405832 XJSLKUAEXHBJLT-STQMWFEESA-N 314.349 -0.507 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cc(O)nc(C3CC3)n2)C1 1047420122 ARIHCEGHCMECOM-STQMWFEESA-N 316.361 -0.190 30 20 DBED CN(C(=O)c1ccc2c(c1)nnn2C)[C@H]1CN(CC#N)C[C@@H]1O 1047428355 HKKAUOJSFLMWLQ-KBPBESRZSA-N 314.349 -0.391 30 20 DBED C=CCCOCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(N)=O)C2 1047580473 XSYFGYLGUKFQAN-TUAOUCFPSA-N 309.366 -0.440 30 20 DBED Cc1nc2ccnn2cc1C(=O)N(C)[C@H]1CN(CC#N)C[C@@H]1O 1047581510 BNEMCEXZIOXQMZ-STQMWFEESA-N 314.349 -0.322 30 20 DBED C=CC(C)(C)C(=O)N(C)[C@H]1CN(C(=O)c2cnnn2C)C[C@@H]1O 1049171219 AMDPFQCJSHGHNX-RYUDHWBXSA-N 321.381 -0.329 30 20 DBED C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1nccnc1C(N)=O 1049885854 PRWCPVGZAJJNMA-VXGBXAGGSA-N 313.361 -0.112 30 20 DBED CCc1nc(C#N)cc(N2CC[C@H](NC(=O)C(N)=O)[C@H]2C)n1 1050946971 VDJFYKYNGLSZNC-SCZZXKLOSA-N 302.338 -0.521 30 20 DBED C#CCCN1CCOC[C@H]1CNC(=O)[C@H]1CCCCN1C(N)=O 1051200935 FOOYKKIPSVDTAV-ZIAGYGMSSA-N 322.409 -0.240 30 20 DBED C#CCCN1CCOC[C@H]1CNC(=O)[C@@H]1CCCN1C(C)=O 1051214077 HFUJTDVRXPZSKY-CABCVRRESA-N 307.394 -0.162 30 20 DBED N#Cc1ccc(CNC[C@H]2CN(C(=O)C(N)=O)CCO2)s1 1051794750 RGQCXIWFSINVQD-VIFPVBQESA-N 308.363 -0.578 30 20 DBED C#CCN1CC2(C1)CN(C(=O)c1cn3c(n1)CCC3)CCO2 1053260755 JBIUNEXUIVINBK-UHFFFAOYSA-N 300.362 -0.011 30 20 DBED N#CCN1CC2(C1)CN(C(=O)c1cnc3nccn3c1)CCO2 1053340811 OSURBELZVVHUJF-UHFFFAOYSA-N 312.333 -0.220 30 20 DBED C=C(Cl)CN1CC2(C1)CN(C(=O)[C@H]1CCNC1=O)CCO2 1053373914 UBRVRZPFWBTCRU-NSHDSACASA-N 313.785 -0.212 30 20 DBED CNC(=O)CC(=O)N1CCC[C@](CO)(NC(=O)C#CC(C)C)C1 1055933881 XCNFZMKKMAUHRR-INIZCTEOSA-N 323.393 -0.748 30 20 DBED C[C@H](C#N)C(=O)N[C@]1(CO)CCCN(C(=O)c2n[nH]cc2F)C1 1056096619 JMMPMIDCNSCZGJ-YMTOWFKASA-N 323.328 -0.208 30 20 DBED CCn1nncc1C(=O)NC1[C@@H]2CN(c3nccnc3C#N)C[C@@H]12 1056204092 WYIMEFKJMGIEIX-NXEZZACHSA-N 324.348 -0.176 30 20 DBED Cc1nonc1C(=O)NC1[C@@H]2CN(c3cnc(C#N)cn3)C[C@@H]12 1056240882 BUOXZPKBRHILNX-NXEZZACHSA-N 311.305 -0.096 30 20 DBED Cn1ncc(C(=O)NC2[C@H]3CN(c4ccc(C#N)nc4)C[C@H]23)n1 1056257345 PVRMAICJNOXQFC-RYUDHWBXSA-N 309.333 -0.054 30 20 DBED CN1C[C@H](C(=O)N2CC[C@@H](N=c3cc[nH]cc3C#N)C2)NC1=O 1056745087 PEUGVKNATDQBJG-DGCLKSJQSA-N 314.349 -0.588 30 20 DBED N#Cc1cc(C(=O)NCCN(CCO)C(=O)[C@H]2CCCO2)c[nH]1 1056892437 ALZGLLTVIAIMTI-CYBMUJFWSA-N 320.349 -0.384 30 20 DBED CN(c1ccncc1C#N)[C@H]1CCN(C(=O)Cn2ncnn2)C1 1056968083 QVFPQOITJIMDOT-LBPRGKRZSA-N 312.337 -0.323 30 20 DBED C=CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)c1cc[nH]n1 1057048082 WSSBXQKUVBJKHD-NSHDSACASA-N 310.354 -0.449 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)c1cc[n+]([O-])cc1 1057169704 FUJAMCULAVVTCO-UHFFFAOYSA-N 307.350 -0.163 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)c1cnns1 1057193638 NAHFZWJYYOEIGH-UHFFFAOYSA-N 314.367 -0.709 30 20 DBED CO[C@@H](C)CC(=O)NCCN(CCO)C(=O)c1c[nH]c(C#N)c1 1057391925 SDNOJKNGDDYJHB-NSHDSACASA-N 322.365 -0.138 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)CC[C@@H](C)OC 1057400690 XIQCSXVEIRGPMO-CYBMUJFWSA-N 316.398 -0.059 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)c1cn(C)nn1 1057516780 AAZPCMJPDPTACD-UHFFFAOYSA-N 307.354 -0.975 30 20 DBED C=C(C)C(C)(C)C(=O)NCCN(CCO)C(=O)Cn1nccn1 1057702174 KOFQDUZQECKVCC-UHFFFAOYSA-N 323.397 -0.183 30 20 DBED N#Cc1cnccc1N1CCC(NC(=O)Cn2cnnn2)CC1 1057840437 CONNDLKMAIUKTB-UHFFFAOYSA-N 312.337 -0.275 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)C[C@@H]1CCCC(=O)N1 1058206580 NQCMDZYYFYOURD-RYUDHWBXSA-N 324.381 -0.858 30 20 DBED C#Cc1ccc(C(=O)N(CCO)CCNC(=O)[C@H](C)C#N)cn1 1058240392 PLQIPYGNOUOGQL-GFCCVEGCSA-N 314.345 -0.227 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)c1ccc(F)nc1 1058652639 BNASPFIOCVEUID-SNVBAGLBSA-N 308.313 -0.069 30 20 DBED COc1ncc(C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N)cn1 1058656360 BIGGFYZMSNOYJU-JTQLQIEISA-N 321.337 -0.804 30 20 DBED N#Cc1ccc(N[C@H]2C[C@H](NC(=O)[C@@H]3CNC(=O)N3)C2)nc1 1059392042 QCQGBEXSFKPQTH-DCAQKATOSA-N 300.322 -0.306 30 20 DBED C=CCOCC(=O)NCC[C@@H]1CCN(C(=O)c2nnn(C)n2)C1 1060147297 QCVWFZQDVSCBGH-LLVKDONJSA-N 322.369 -0.619 30 20 DBED N#Cc1ccc(NC[C@H]2CCN(C(=O)[C@@H]3CCNC3=O)C2)nn1 1060952823 JNFKNFDCLWFDNZ-ZYHUDNBSSA-N 314.349 -0.255 30 20 DBED CC(=O)NCC(=O)NC[C@H]1COCCN1C(=O)C#CC(C)(C)C 1061216127 FNJWDYPJWSZWTQ-ZDUSSCGKSA-N 323.393 -0.484 30 20 DBED N#Cc1nccc(N2CCC[C@@H]2CNC(=O)[C@H]2COC(=O)N2)n1 1061353787 QRSPWIHSDABHBG-NXEZZACHSA-N 316.321 -0.458 30 20 DBED N#Cc1nccc(N2CC[C@@H](CNC(=O)[C@H]3CCNC3=O)C2)n1 1061693955 BUDRVWQQBZYDFE-QWRGUYRKSA-N 314.349 -0.573 30 20 DBED C[C@@H](CC(N)=O)C(=O)NC[C@@H]1COCCN1C(=O)C#CC1CC1 1061749957 OLLGCWKSPHAHAW-WCQYABFASA-N 321.377 -0.745 30 20 DBED Cc1nc(CC(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(C#N)nn2)n[nH]1 1062488129 MMBSSJNQLGGCQS-RYUDHWBXSA-N 324.348 -0.193 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)Cc2cnoc2)C1 1065561603 RKZWEDRWWMQIAF-JQWIXIFHSA-N 306.322 -0.280 30 20 DBED N#Cc1cccnc1N[C@]1(CO)CCCN(C(=O)CC(N)=O)C1 1066893604 XYFUJOPVPJVZNY-OAHLLOKOSA-N 317.349 -0.406 30 20 DBED N#Cc1ccc(N[C@]2(CO)CCCN(C(=O)CC(N)=O)C2)nc1 1066896194 FGHSJOMJWVPSEH-OAHLLOKOSA-N 317.349 -0.406 30 20 DBED CNC(=O)CC(=O)N(C)CCCN(C)C(=O)c1c[nH]c(C#N)c1 1067237154 PKJLMQSVFRFHBY-UHFFFAOYSA-N 319.365 -0.057 30 20 DBED N#Cc1cncc(N2C[C@H]3CC[C@H]2CN3C(=O)Cc2nc[nH]n2)n1 1068050573 JCGORZFQFQNGCV-NWDGAFQWSA-N 324.348 -0.111 30 20 DBED C=CCCCC(=O)N1CC2(C[C@@H](NC(=O)CC(=O)NC)CO2)C1 1068830351 ATJGVUGNDDARAL-GFCCVEGCSA-N 323.393 -0.035 30 20 DBED CC#CCN1CCn2ncc(CNC(=O)[C@@H]3COC(=O)N3)c2C1 1069859199 JTOYHXALGBZYGZ-LBPRGKRZSA-N 317.349 -0.553 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H]2CN(C)CCO2)C1 1069905890 VJZGRNRAWRWDRJ-HZSPNIEDSA-N 320.397 -0.864 30 20 DBED C=CCOCC(=O)N[C@@H]1CCCN(C(=O)[C@H](C)NC(N)=O)C1 1070657180 MTTZSNKHTBCLGV-WDEREUQCSA-N 312.370 -0.647 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)[C@@H]2CCN(C)[C@@H]2C)CC1 1070964581 PYIXZQIPZVREMD-HUUCEWRRSA-N 320.437 -0.390 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 1070970414 DZJXNWUNMVFQLY-MRXNPFEDSA-N 320.437 -0.390 30 20 DBED C[C@@H]1CC[C@@H](NC(=O)CN2CCN(C)C(=O)C2)CN1CC#N 1071623243 TYOFECCCKIZJJK-CHWSQXEVSA-N 307.398 -0.747 30 20 DBED N#CCN1CCCO[C@H](CNC(=O)c2c[nH]c(C(N)=O)c2)C1 1073886208 JZFXGUXTHNPSPG-LLVKDONJSA-N 305.338 -0.542 30 20 DBED Cn1nccc1CC(=O)N1CC[C@H]2OCCN(CC#N)[C@@H]2C1 1074226722 VPKBRTJVLCXKQP-ZIAGYGMSSA-N 303.366 -0.212 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)CCc3cnn(C)n3)C[C@@H]21 1074339412 UAAMVTNPIMNFQL-GJZGRUSLSA-N 317.393 -0.317 30 20 DBED C=CCCC(=O)N1CCC(O)(CNC(=O)c2cn(C)nn2)CC1 1074510376 APVINYBJLYOSRU-UHFFFAOYSA-N 321.381 -0.135 30 20 DBED N#CCN1C[C@@H]2CCN(C(=O)Cc3ccc(C(N)=O)nc3)[C@@H]2C1 1075947130 MYPFIYBKWIJQAW-GXTWGEPZSA-N 313.361 -0.221 30 20 DBED C#CCO[C@H](C)C(=O)NCC[C@H](C)NC(=O)c1cnnn1C 1076510157 FKOKXHHJXSJXKL-WDEREUQCSA-N 307.354 -0.522 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)c2cc(=O)n(C)cn2)C1 1077162224 JXTBTJHZXUFDQU-CHWSQXEVSA-N 306.366 -0.479 30 20 DBED CC#CCCCC(=O)N[C@@H](C)CCNC(=O)[C@@H]1CNC(=O)N1 1078094646 ZGMVJKOKMCFLJO-RYUDHWBXSA-N 308.382 -0.128 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(N(CC)C(=O)[C@H](C)CC(N)=O)C1 1080217843 NOGGTDPUOXEZDN-VXGBXAGGSA-N 323.393 -0.405 30 20 DBED CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)[C@H]2CCCC(=O)N2)C1 1080417061 VGYSICVKIRLFGH-ZYHUDNBSSA-N 306.366 -0.126 30 20 DBED CC#CCN1C[C@@H](NC(=O)[C@H]2CN(C(C)=O)CCO2)[C@H](C)C1 1080873846 GTGYANPCJGPUMK-BPLDGKMQSA-N 307.394 -0.307 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)c2cncnc2)C[C@@H]1O 1081335788 PKQGHYGKCUVXOH-OLZOCXBDSA-N 304.350 -0.008 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)Cc2ccn(C)n2)C[C@H]1O 1081336238 VVZNAMWAHANKSO-TZMCWYRMSA-N 320.393 -0.136 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](O)[C@H](CNC(=O)Cc2cc[nH]n2)C1 1081369487 XVOUCZIYHFFNET-TZMCWYRMSA-N 318.377 -0.453 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)c2ccncn2)C[C@@H]1O 1081464239 XIKIZLDOVUMGDP-JSGCOSHPSA-N 316.361 -0.315 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@H](CNC(=O)CN2CCCC2)C1 1081501097 YINWCUUFHKHOAD-KGLIPLIRSA-N 309.410 -0.016 30 20 DBED C=C(C)CCC(=O)NC[C@@H]1CN(C(=O)c2cnon2)C[C@H]1O 1081530782 KFCWLROYPVXHMQ-ZYHUDNBSSA-N 308.338 -0.025 30 20 DBED C=CCCCC(=O)N1C[C@H](CNC(=O)c2nnn(C)n2)[C@@H](O)C1 1081655662 HUYZDFQYIRRYOX-QWRGUYRKSA-N 322.369 -0.885 30 20 DBED C#CCCN1C[C@@H](NC(=O)Cc2cn(CC)nn2)[C@H](OC)C1 1081972720 KXYCBUXFFHUAMM-ZIAGYGMSSA-N 305.382 -0.321 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2cnc3cc(OC)ccn23)C1 1083641673 XCUFVSPYCHWSCU-OCCSQVGLSA-N 314.345 -0.249 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)c2cccc(NC(N)=O)c2)C1 1084043053 BGMDTYIEVBZJMS-KGLIPLIRSA-N 316.361 -0.025 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)c2c(C)nn3cccnc23)C1 1084070292 GYKYUSMGJFPXFS-NEPJUHHUSA-N 301.350 -0.001 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CCN(Cc3nc(=O)n(C)[nH]3)C[C@H]21 1084236740 PJDZXBIVRMKQKV-GMTAPVOTSA-N 304.354 -0.699 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@@H]2CCNC2=O)C[C@H]1c1cnn(C)c1 1086991253 SCZNJLCSKMUVBD-HZSPNIEDSA-N 315.377 -0.927 30 20 DBED C#CCN[C@@H]1CN(C(=O)Cc2ncc[nH]2)C[C@H]1c1cnn(C)c1 1087003775 OUFITARVHFOQIQ-UONOGXRCSA-N 312.377 -0.097 30 20 DBED COC(=O)NCC(=O)N[C@@H](C)C[C@@H](C)N=c1cc[nH]c(C#N)n1 1089245006 UKAGFFPPBIFGQN-ZJUUUORDSA-N 320.353 -0.179 30 20 DBED CCN(c1ccc(C#N)nn1)[C@H](C)CNC(=O)[C@@H]1CNC(=O)N1 1089728234 GPBUQTNHMVTDMD-KOLCDFICSA-N 317.353 -0.639 30 20 DBED COCCCCC(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1O 1090374130 TYMPKYBTAOMTSC-CHWSQXEVSA-N 319.365 -0.169 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2ccnc3c2CC(=O)N3)[C@H](O)C1 1090393339 JEMSBBCLNITEIC-CHWSQXEVSA-N 314.345 -0.626 30 20 DBED N#CCSCC(=O)N[C@@H]1CCN(c2ncccn2)C[C@H]1O 1092137180 KINNOOBBFBKTOG-GHMZBOCLSA-N 307.379 -0.211 30 20 DBED Cc1ccc(C#N)c(N2CCN(C(=O)[C@H](C)NC(N)=O)CC2)n1 1093144773 CDMGQGWJZKMBMP-NSHDSACASA-N 316.365 -0.033 30 20 DBED C#CCCN1C[C@@H](C)[C@H](CNC(=O)c2cn(C)c(=O)nc2O)C1 1093190438 AMOPGNSNBJZGKB-VXGBXAGGSA-N 318.377 -0.193 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@@H]2CN(c3ccnc(C)n3)C[C@@H]12 1093266552 PIJGTWNMSPEJDI-VXGBXAGGSA-N 313.361 -0.525 30 20 DBED N#Cc1c[nH]c(C(=O)NCc2cn(C3CN(CCO)C3)nn2)c1 1094282403 QQOPPDPNNGFQTP-UHFFFAOYSA-N 315.337 -0.743 30 20 DBED CN(CCCNC(=O)CCNC(N)=O)c1ccncc1C#N 1095556758 KDEGPWQQXWIJKT-UHFFFAOYSA-N 304.354 -0.046 30 20 DBED C#CCCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H]1CN(C(C)=O)CCO1 1096460966 GNPYDSMTFXXATR-FXUDXRNXSA-N 319.405 -0.022 30 20 DBED CNC(=O)NCC(=O)N[C@@H]1CCN(c2cc(C)ncc2C#N)C1 1096493030 HSGJUAYHDUIQLH-GFCCVEGCSA-N 316.365 -0.114 30 20 DBED C=CCCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H]1CCS(=O)(=O)N1 1096565536 LZPKXVKYTKOATG-NDBYEHHHSA-N 313.423 -0.024 30 20 DBED C[C@H](CNC(=O)CCn1ccnn1)Nc1cncc(C#N)n1 1097779484 KPMPLYJFGGOZQF-SNVBAGLBSA-N 300.326 -0.053 30 20 DBED C#CCCN(CCO)C1CCN(C(=O)c2cc(=O)n(C)o2)CC1 1098353892 DTKUZORBANZAIU-UHFFFAOYSA-N 321.377 -0.100 30 20 DBED C=CCN(CCO)C1CCN(C(=O)CN2C(=O)CNC2=O)CC1 1098556051 DBBYFWVQXVFUCR-UHFFFAOYSA-N 324.381 -0.991 30 20 DBED CCC(=O)NCC(=O)NCC[C@H](C)N=c1cc[nH]c(C#N)n1 1098941952 JSBJQWUAEHAHRM-JTQLQIEISA-N 304.354 -0.397 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)Cn2cccn2)[C@@H](O)C1 1099662754 CWKYOQURGDMFNF-KGLIPLIRSA-N 306.366 -0.916 30 20 DBED CCCNC(=O)CN1CC[C@@H](NC(=O)C#CC2CC2)[C@H](O)C1 1099825867 BLGGOIKXWDAPKN-ZIAGYGMSSA-N 307.394 -0.523 30 20 DBED C=CCC(C)(C)C(=O)N[C@@H]1CCN(CC(=O)NCC#N)C[C@H]1O 1100021135 YPCQVSJVAQJTQU-CHWSQXEVSA-N 322.409 -0.220 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)CN2CCCC2)[C@@H](O)C1 1100109481 GEGLRCYVTOJMSH-GJZGRUSLSA-N 311.426 -0.164 30 20 DBED C#CCOCCC(=O)NCC1CC(NCC(=O)N2CCC2)C1 1100325260 ZIFYWTBROKUFLH-UHFFFAOYSA-N 307.394 -0.257 30 20 DBED Cc1ncn(C)c1C(=O)NCC1CC(NCC(=O)NCC#N)C1 1100423287 AYCJMOZFZSQXQM-UHFFFAOYSA-N 318.381 -0.534 30 20 DBED C=CCNC(=O)CNC1CC(CNC(=O)[C@@]2(F)CCOC2)C1 1100607585 IQWRDOZIDUQGFA-KOHJWAIASA-N 313.373 -0.098 30 20 DBED COCC#CCNC1CC(CNC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 1100677360 JREIDGKQYRXYCR-PFSRBDOWSA-N 321.421 -0.155 30 20 DBED N#Cc1cnc(N2CCC[C@H]2CNC(=O)CCNC(N)=O)cn1 1100833033 FXQOGDMRSATVBG-NSHDSACASA-N 317.353 -0.508 30 20 DBED C=C(C)CNC1CC(CNC(=O)Cn2nc(C)n(C)c2=O)C1 1100934591 RAYZSVNCJIHWNV-UHFFFAOYSA-N 307.398 -0.049 30 20 DBED CC(C)OCC(=O)NC[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1101789973 NYDYOIMTMYTGFM-CHWSQXEVSA-N 310.398 -0.265 30 20 DBED C#CCCN1C[C@@H](C)[C@H](CNC(=O)CS(=O)(=O)NC)C1 1102583326 GFXUAZYOPLCZIN-VXGBXAGGSA-N 301.412 -0.757 30 20 DBED CC[C@H](CNC(=O)CNC(N)=O)Nc1nc(C)cc(C#N)n1 1102966136 RQVHZPMZIWUGRJ-SECBINFHSA-N 305.342 -0.368 30 20 DBED CC[C@H](CNC(=O)[C@@H]1CNC(=O)N1)Nc1cnc(C#N)cn1 1103277992 SGVBBEUEZCLSNX-SCZZXKLOSA-N 303.326 -0.664 30 20 DBED CC(=O)N(C)CC(=O)NC[C@H](C)CNc1nccnc1C#N 1103876657 SKPQVKZIFLUOBL-JTQLQIEISA-N 304.354 -0.009 30 20 DBED COCC#CCNCC[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2)C[C@H]1C 1103994758 NVAKIZZPCWHHKP-RBSFLKMASA-N 321.421 -0.011 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)[C@H]1CCCC(=O)N1 1104720074 FJKCYFKMXPOSPF-WDEREUQCSA-N 316.365 -0.302 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](C)N(C)C(=O)[C@@H]2CNC(=O)N2)n1 1104784434 GMKBYHCMKXNNNP-KOLCDFICSA-N 317.353 -0.403 30 20 DBED CN(CCN(C)c1cncc(C#N)n1)C(=O)CCn1cncn1 1105329114 QDGKRFFKPWKUQO-UHFFFAOYSA-N 314.353 -0.075 30 20 DBED Cc1nsc(N(C)CCN(C)C(=O)[C@H]2CNC(=O)N2)c1C#N 1105540964 GPWQIVNYLWXIJC-SNVBAGLBSA-N 322.394 -0.101 30 20 DBED C#CCN1CC(OC2CCN(C(=O)C[C@H](C)NC(N)=O)CC2)C1 1105707160 OYEQXUZLGRGFEW-LBPRGKRZSA-N 322.409 -0.242 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)C[C@H]2CCCO2)C[C@H]1C 1105858937 QJKWWUYVHISBLY-RBSFLKMASA-N 321.421 -0.011 30 20 DBED C=CCCOCC(=O)NC[C@H](O)CNc1nccn2nnnc12 1105890044 LELQFGHZPQLYBL-JTQLQIEISA-N 321.341 -0.999 30 20 DBED COC[C@@H](OC)C(=O)NC[C@H](O)CNc1ccc(C#N)cn1 1106086459 GQVCQOIRPUQRQB-VXGBXAGGSA-N 308.338 -0.496 30 20 DBED C[C@H](C(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1)C(C)(F)F 1106118050 GZSKJBWDFBIHDU-BDAKNGLRSA-N 313.308 -0.050 30 20 DBED CCC(=O)N[C@@H](C)C(=O)NC[C@H](O)CNc1ncccc1C#N 1106140497 KQZQGQMLSWIJCM-CMPLNLGQSA-N 319.365 -0.243 30 20 DBED N#Cc1nc(=NC[C@H](O)CNC(=O)C2(F)CCOCC2)cc[nH]1 1106150526 WQLKQTMTYRCASB-JTQLQIEISA-N 323.328 -0.822 30 20 DBED C[C@@H](CCNc1nccnc1C#N)NC(=O)[C@@H]1COC(=O)N1 1106313768 QFQLSYPNOHAQJI-WPRPVWTQSA-N 304.310 -0.237 30 20 DBED CN1C[C@H](C(=O)NC/C=C/CNc2nccnc2C#N)CC1=O 1107568771 OUEWHRMBJZFGSS-KXMPLOMGSA-N 314.349 -0.089 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)CN=c1cc(C)[nH]cc1C#N 1107724608 JWGHAQBIOUUBCC-GFCCVEGCSA-N 313.361 -0.260 30 20 DBED C[C@H](C(N)=O)N1CCO[C@](C)(CNC(=O)c2c[nH]c(C#N)c2)C1 1107883301 QEEQXHFNOOQZSO-MEBBXXQBSA-N 319.365 -0.419 30 20 DBED C[C@]1(CNC(=O)c2cnco2)CN(CC(=O)NCC#N)CCO1 1108105235 YAYLAVYCNUENKS-AWEZNQCLSA-N 321.337 -0.865 30 20 DBED C=CCCCN1CCO[C@@](C)(CNC(=O)[C@@H]2CNC(=O)N2)C1 1108169778 XCGMROBYCZCRSM-WFASDCNBSA-N 310.398 -0.159 30 20 DBED CN1CCCC[C@@H](C(=O)NC[C@@]2(C)CN(CC#N)CCO2)C1=O 1108338472 ISYXDBMZQLHRRT-BBRMVZONSA-N 322.409 -0.024 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)[C@H](NC(C)=O)C(C)C)C1 1108353437 HZFXVAJKGGRTAL-ZBFHGGJFSA-N 309.410 -0.013 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1ccncn1 1109861262 FFZGMUGKVYYNLW-XBFCOCLRSA-N 313.361 -0.439 30 20 DBED N#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CC[C@@H]1NC(=O)NC1=O 1111376219 AMHBQJXEBSNMJV-YTWAJWBKSA-N 305.338 -0.780 30 20 DBED C[C@H](NC(=O)c1ncn(C)n1)[C@@H](C)N=c1cc[nH]c(C#N)n1 1113002459 XALALJGANDZDSR-BDAKNGLRSA-N 300.326 -0.482 30 20 DBED C[C@@H](CC(N)=O)C(=O)NC[C@H](C)N(C)c1ccc(C#N)nn1 1113799346 CPVJOHPIOYOGOC-UWVGGRQHSA-N 304.354 -0.199 30 20 DBED CC#CCN1C[C@@H]2C(NC(=O)CCN3C(=O)CCC3=O)[C@H]2C1 1114540304 MZHUOJLFBPSAEQ-RYUDHWBXSA-N 303.362 -0.405 30 20 DBED COCC#CCN1C[C@@H]2C(NC(=O)c3cn(C)ccc3=O)[C@H]2C1 1114546151 XEVMHKOYTCJZPK-STQMWFEESA-N 315.373 -0.305 30 20 DBED CCC[C@@H](NC(N)=O)C(=O)NC1[C@@H]2CN(CC#CCOC)C[C@@H]12 1115176384 OFSIZGQCXPUHDL-JHJVBQTASA-N 322.409 -0.480 30 20 DBED CN(CCOCCNC(=O)c1nc[nH]n1)c1ccnc(C#N)n1 1115226022 MADIYJXHALCNRE-UHFFFAOYSA-N 316.325 -0.651 30 20 DBED C=CCCOCC(=O)NC1[C@@H]2CN(Cc3cnnn3C)C[C@@H]12 1115324302 NZAJHJFVTGVJMJ-CHWSQXEVSA-N 305.382 -0.046 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)[C@@H]3CCCN3C(N)=O)[C@@H]2C1 1115346175 SLCRSNZATXFUON-UPJWGTAASA-N 320.393 -0.774 30 20 DBED C#CCSCCNC(=O)C(=O)N1CC[C@](C)(C(=O)OC)C1 1117461399 HDBPWBGCCDQZEE-AWEZNQCLSA-N 312.391 -0.119 30 20 DBED N#CC[C@H]1CCCN(C(=O)C(=O)N2CCN3CCOC[C@H]3C2)C1 1118450059 UBNWPMDNEAMZGU-ZIAGYGMSSA-N 320.393 -0.318 30 20 DBED CC#CCN(C)C(=O)C(=O)N1C[C@@H](C(=O)OCC)C2(COC2)C1 1119026484 WIGNCBQUWYPRRL-LBPRGKRZSA-N 322.361 -0.494 30 20 DBED Cc1nc2ncnn2c(N[C@H](CO)CNC(=O)[C@H](C)C#N)c1C 1121213921 VLKNZVJEWLZUJF-KCJUWKMLSA-N 317.353 -0.210 30 20 DBED COc1cc(C(=O)NC[C@@H](CO)Nc2cnc(C#N)cn2)on1 1121463872 IIZNPODLCVESQR-VIFPVBQESA-N 318.293 -0.452 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)CO[C@@H]2CCOC2)cn1 1122070822 OISZXGZUDOXMHA-ZIAGYGMSSA-N 320.349 -0.352 30 20 DBED C#CCNCC(=O)NCC(=O)Nc1ccc2c(c1)OCCO2 1122095143 ZIJBPGKPYXKFAF-UHFFFAOYSA-N 303.318 -0.265 30 20 DBED Cc1nc(N[C@H](CO)CNC(=O)[C@H]2CCNC2=O)ccc1C#N 1122354857 JVZSEYCWFJLXJU-RYUDHWBXSA-N 317.349 -0.713 30 20 DBED Cc1n[nH]cc1C(=O)N(C)C[C@H](O)CN=c1cc[nH]c(C#N)n1 1124628783 XNAZNGJTLANCNG-SNVBAGLBSA-N 315.337 -0.653 30 20 DBED N#Cc1ccc(C(=O)NCCNCC(=O)NC[C@@H]2CCCO2)[nH]1 1125776715 WCAFHFFXPIWCCE-LBPRGKRZSA-N 319.365 -0.499 30 20 DBED CN(CCOCCN=c1cc[nH]c(C#N)n1)C(=O)[C@H]1CCOC1 1127199414 TUVDNTLTAACCLG-LBPRGKRZSA-N 319.365 -0.306 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CCCc2n[nH]cc21 1127339302 WBDDXGNXSVIPRV-NWDGAFQWSA-N 317.393 -0.327 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@H]1CN2CCC1CC2 1127481262 QRTRPYRTWLHVJJ-JSGCOSHPSA-N 306.410 -0.828 30 20 DBED CC(=O)NCC(=O)NCC1=CCN(c2ccc(C#N)nn2)CC1 1127530837 AQZRYCXFUWUVHT-UHFFFAOYSA-N 314.349 -0.263 30 20 DBED C=C[C@](C)(O)CC(=O)N1C[C@H](n2ccnn2)[C@H](NCC#CC)C1 1129795721 NGSBZWKUHYUWTL-YCPHGPKFSA-N 317.393 -0.030 30 20 DBED C=CCCN[C@@H]1CN(C(=O)CC(=O)N(C)C)C[C@@H]1n1ccnn1 1130030614 IXGRFHXHQMIVBX-OLZOCXBDSA-N 320.397 -0.326 30 20 DBED C=CCO[C@@H](C)C(=O)N1C[C@H](n2ccnn2)[C@H](NCC#N)C1 1130151296 MQFZXOJFLKHFKF-XQQFMLRXSA-N 304.354 -0.266 30 20 DBED C=CCN[C@@H]1CN(C(=O)[C@H](C)NC(N)=O)C[C@H]1c1cncn1C 1130975598 HDEBTLXWMDKHKE-QJPTWQEYSA-N 320.397 -0.453 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@H]2C[C@@H]3CN(CCCO)C[C@]2(C1)O3 1131231402 ZPNZEHJYXSDILB-KLZNWCGWSA-N 322.405 -0.291 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@@H]1CCc2nc(C)nn2C1 1131636715 OEOKAQWDHFDJIL-GFCCVEGCSA-N 320.397 -0.843 30 20 DBED C[C@@H]1CN(C(=O)COCCN(C)C)C[C@@]2(CCN(CC#N)C2)O1 1131693539 QHBBULKQHGNWNH-ZBFHGGJFSA-N 324.425 -0.220 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)CC[C@@H]1C 1133306794 QHHBSEOCNCVFEV-QWHCGFSZSA-N 320.393 -0.364 30 20 DBED C#CCCNCCNC(=O)[C@@H]1CC[C@H](C(=O)N2CCCC2)O1 1133791282 CDINKAVGIGQDKB-UONOGXRCSA-N 307.394 -0.115 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)c1ccnn1C 1133872521 WBOFSGZKKLNFAX-VXGBXAGGSA-N 305.382 -0.344 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)CCc1nc[nH]n1 1134041381 FYARMEUUGBGLRS-NEPJUHHUSA-N 320.397 -0.640 30 20 DBED C[C@@H](C[C@@H](C)NCC(=O)NCC#N)NC(=O)CCc1cnc[nH]1 1134545940 UCPDYIOIUUVWPQ-NEPJUHHUSA-N 320.397 -0.145 30 20 DBED N#CCNC(=O)CN1CCC2(C1)CN(C(=O)Cc1cc[nH]n1)C2 1147274741 RJXKVVVCKWTBQG-UHFFFAOYSA-N 316.365 -0.874 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)CCCC(=O)N(C)C)C1=O 1148211623 QTOCABSPJYRDIL-CYBMUJFWSA-N 324.425 -0.262 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(CC(=O)NCC#N)CCCO1 1149672370 BASIZCIFZCVMED-AWEZNQCLSA-N 320.393 -0.507 30 20 DBED CCN(C[C@H](O)CN1CCCC1=O)[C@H](C)CNC(=O)[C@@H](C)C#N 1152412594 BXNHXBANVPJVCH-MJBXVCDLSA-N 324.425 -0.044 30 20 DBED CNS(=O)(=O)CCC(=O)N1CCCC[C@@H]1CN(C)CC#N 1157981204 ACACISJTAFGTSK-GFCCVEGCSA-N 316.427 -0.238 30 20 DBED N#CCNC(=O)CNCCCNC(=O)[C@H]1CCCc2n[nH]cc21 1158087164 WNWUFQJVZQGAJY-NSHDSACASA-N 318.381 -0.435 30 20 DBED COCC1(CNC(=O)[C@H](C)NC(N)=O)CCN(CC#N)CC1 1162229965 ITMRMZCGBBHDFI-NSHDSACASA-N 311.386 -0.588 30 20 DBED N#CCNC(=O)CNCCCNC(=O)[C@H]1COc2ccccc21 1177418933 IRCWXVPFENUORO-ZDUSSCGKSA-N 316.361 -0.102 30 20 DBED C#CCCN1CC(O)(CN(Cc2ccccc2)C(=O)C(N)=O)C1 1177547101 RMCUOVBYTCILMA-UHFFFAOYSA-N 315.373 -0.430 30 20 DBED Cc1[nH]nc(C(=O)N2CC[C@H](NCC(=O)NCC#N)[C@@H]2C)c1O 1178467373 HFPJICBWVULROG-UWVGGRQHSA-N 320.353 -0.744 30 20 DBED C#CCNC(=O)CNCCCCCCNC(=O)c1cnn(C)n1 1179820058 HWFWIDLDEVVYHU-UHFFFAOYSA-N 320.397 -0.556 30 20 DBED CC#CCNC[C@]1(C)CN(C(=O)c2nnc(O)nc2O)C[C@H]1C 1182037966 IGGCEVPXPMGZEX-MEBBXXQBSA-N 319.365 -0.006 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)COC[C@H]2CCOC2)C1 1186040823 HUXHEEOTNQTCKR-LSDHHAIUSA-N 310.394 -0.120 30 20 DBED C#CCOCCC(=O)N1CC[C@H]2CN(C[C@H](O)COC)C[C@H]21 1187873962 ITMUUFRYCJTJGZ-SOUVJXGZSA-N 310.394 -0.434 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)CCN2CCCCC2)C1 1188100453 SZSXRGDRJHNOOS-OAHLLOKOSA-N 320.437 -0.198 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@@H]1CCN(C(=O)c2ncc[nH]2)C1 1190045631 AFJWXNAAVCABJT-NWDGAFQWSA-N 303.366 -0.306 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)/C=C\c2ccco2)C1 1190702017 YUWSHEHIDQTKMH-HLMASZERSA-N 319.361 -0.244 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)C#CC2CC2)C1 1192862814 VXWMJNIAZDCCMI-IACUBPJLSA-N 305.378 -0.748 30 20 DBED CC#CCN(C)[C@@H]1CCN(C(=O)[C@@H](CCC(N)=O)NC(C)=O)C1 1192876825 IXGRXNIEDXJIRY-ZIAGYGMSSA-N 322.409 -0.687 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CN3CCC2CC3)C1 1193024440 XWXOUJRPIHDHGM-ARFHVFGLSA-N 323.437 -0.308 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2ccc(C#C)cn2)C1 1193543620 VZHBEDUXAUJGIM-OAHLLOKOSA-N 324.384 -0.041 30 20 DBED CC#CCCCC(=O)N[C@@H]1CN(Cc2ncnn2C)C[C@H]1O 1195467977 ZSRBERDWMZRFLS-CHWSQXEVSA-N 305.382 -0.330 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)c2ccco2)C1 1196136639 CJAUJWRDPNMUMP-YNEHKIRRSA-N 321.377 -0.153 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)c2cnn(CC)n2)CC1 1200381368 LMWXTSISBXGCAK-UHFFFAOYSA-N 320.397 -0.206 30 20 DBED C=CCNC[C@@H]1CN(C(=O)CN2CCN(C)C(=O)C2)CCCO1 1200840063 GLGUVECZGNKFOL-CQSZACIVSA-N 324.425 -0.847 30 20 DBED N#CCNC[C@H]1CN(C(=O)[C@H]2CCCCC(=O)N2)CCCO1 1201389855 NLAHDROKSCYVQX-QWHCGFSZSA-N 308.382 -0.224 30 20 DBED N#CCNC[C@@H]1CN(C(=O)COC[C@@H]2CCOC2)CCCO1 1201548410 WSMLZWHNORHWRB-ZIAGYGMSSA-N 311.382 -0.230 30 20 DBED C#Cc1ccc(C(=O)N2CCC(CNCC(N)=O)CC2)nc1 1206882758 ATDHGOWCZQHYQX-UHFFFAOYSA-N 300.362 -0.010 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)c2ncn(C)n2)[C@H](C)C1 1206928461 WBINOAQNGIDBOA-GHMZBOCLSA-N 306.370 -0.833 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCC[C@H](NCCS(C)(=O)=O)C1 1207949656 DQQZLEBDARDPTH-GXTWGEPZSA-N 318.439 -0.061 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(Cc2cnnn2CC)C[C@H]1OC 1212032066 IBIZLSHNQBQHHU-ZIAGYGMSSA-N 323.397 -0.184 30 20 DBED COCCCn1cc(C(=O)N[C@@H]2CN(CC#N)C[C@H]2OC)cn1 1213689248 BOPXOVXFIVYDOI-ZIAGYGMSSA-N 321.381 -0.128 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@H](C)CN1CCOCC1 1213863751 ROPLIRJXNUDAEV-MGPQQGTHSA-N 310.398 -0.706 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2cc(C)[nH]n2)C[C@H]1C 1214229439 ZKLHXTBKGCHWJC-MPKXVKKWSA-N 317.393 -0.094 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CCCOC2)C[C@H]1C 1214299734 SKIYBTWYMQJMOS-MGPQQGTHSA-N 307.394 -0.401 30 20 DBED CNC(=O)NC(=O)CN[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C 1214585116 AYDBYAVWRXBNOE-ZYHUDNBSSA-N 306.366 -0.708 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)CC2(COC)CC2)C[C@H]1C 1214594958 AQSXWMITUSEHAT-ZIAGYGMSSA-N 321.421 -0.011 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)CCOCC2CC2)C[C@H]1C 1214612558 KYUSTZGTNARVAA-UKRRQHHQSA-N 321.421 -0.011 30 20 DBED CC#CCN[C@@H]1CN(C(=O)C(C)(C)NS(C)(=O)=O)C[C@H]1C 1215835747 DCEDUMIRNNPMGW-VXGBXAGGSA-N 315.439 -0.226 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C 1216853423 AYEVGKLIOFXENC-QLFBSQMISA-N 322.453 -0.099 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(Cc2c(C)nnn2CC)C[C@@H]1O 1219361993 NIZUDRAKNLPBJS-OCCSQVGLSA-N 323.397 -0.530 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(Cc2ccn(C)c(=O)c2)C[C@@H]1O 1219531967 CKBONHCSWXQPGF-CABCVRRESA-N 317.389 -0.150 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2nc(C)no2)C[C@@H]1O 1219603142 UQNLOCACDYQRGL-JLLWLGSASA-N 308.338 -0.922 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)C/C=C(/C)C=C)C1 1220169663 PPWRLQRACWUCTA-BMGVKBPPSA-N 319.405 -0.192 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)C2(C(C)C)CC2)C1 1220323500 YIWUWLPEAHZHOP-MCIONIFRSA-N 321.421 -0.278 30 20 DBED COCC#CCN1CC[C@@H]2CN(C(=O)[C@@H](C)NC(C)=O)[C@@H]2C1 1221248572 BGERNIGGKALXMG-BPLDGKMQSA-N 307.394 -0.307 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCCN(C(=O)Cn2ccnc2)C1 1222098783 PUWRYIHMRWMQLY-KGLIPLIRSA-N 317.393 -0.398 30 20 DBED CC#CCN1CCC(NC(=O)CS(=O)(=O)CCOC)CC1 1228022924 AOAASLLMEQSAFB-UHFFFAOYSA-N 316.423 -0.349 30 20 DBED CS[C@@H](C)C(=O)NCC[C@H]1CN(CC#N)CCS1(=O)=O 1230422000 DKNKWTVIZGVHOP-QWRGUYRKSA-N 319.452 -0.133 30 20 DBED C=CCNC(=O)[C@H](C)N1CC[C@@H]1CN(C)C(=O)Cn1nccn1 1234583830 OZJMTASITZNZAP-QWHCGFSZSA-N 320.397 -0.499 30 20 DBED N#CCSCC(=O)OCC(=O)NCCCN1CCCC1=O 1321664615 AHAMDXQUXABXTK-UHFFFAOYSA-N 313.379 -0.085 30 20 DBED C=C(C)COCCNC(=O)C(=O)N[C@H](C)CS(=O)(=O)CC 1322763126 JDUQWYPOUKRYHJ-LLVKDONJSA-N 320.411 -0.365 30 20 DBED C#CCOCCNC(=O)C(=O)NCCC(=O)N1CCCCC1 1323562409 UXNVKOMORFXQAB-UHFFFAOYSA-N 309.366 -0.729 30 20 DBED COC(=O)N1CC(NC(=O)C(=O)NCc2ccc(C#N)cc2)C1 1323968723 NVYSMMPSZQVYIB-UHFFFAOYSA-N 316.317 -0.259 30 20 DBED C#CCOCCNC(=O)C(=O)NCCCN1CCCCC1=O 1324388869 PEXPCPWRYSEZMM-UHFFFAOYSA-N 309.366 -0.729 30 20 DBED N#CCN1CCC(NC(=O)C(=O)N[C@@H]2CCC[C@@H]2CCO)CC1 1324437374 ZFHQYZMXQCFRPD-TZMCWYRMSA-N 322.409 -0.242 30 20 DBED N#CCC1(CNC(=O)C(=O)NCCNC(=O)c2ccco2)CC1 1327742595 VHUULDRXOJEFGN-UHFFFAOYSA-N 318.333 -0.064 30 20 DBED COCCN(C)CCNC(=O)CCN/C(O)=C1\N=CC=CC1=O 1339064512 JWZDFGQPLJBOFW-CCEZHUSRSA-N 324.381 -0.403 30 20 DBED C#CCOCCNC(=O)C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 1342425429 FVSDBJBXZXLPSF-KGLIPLIRSA-N 309.410 -0.011 30 20 DBED C=CCNC(=O)CS(=O)(=O)c1nnc(CO)n1CCC 1345409294 AFDSQJGMUKGMOE-UHFFFAOYSA-N 302.356 -0.744 30 20 DBED C=CCN(C(=O)C(=O)N1C[C@H](C)O[C@H](CO)C1)[C@@H](C)COC 1347004558 SLTJXPNDPNKDIU-AVGNSLFASA-N 314.382 -0.356 30 20 DBED C[C@]1(O)CCN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1 1351857122 UNQRBYANTCUIPO-DOMZBBRYSA-N 306.366 -0.832 30 20 DBED N#Cc1cn(CC(=O)N[C@H](CO)c2ccccc2)c(=O)nc1O 1362602647 BCSUIYNAIADAHM-GFCCVEGCSA-N 314.301 -0.330 30 20 DBED COCCN1CCC(Nc2[nH]c(=O)n(C)c(=O)c2C#N)CC1 1364154562 VEKGXPISOVJSRP-UHFFFAOYSA-N 307.354 -0.532 30 20 DBED CNC(=O)c1nn[nH]c1NC(=O)N1CCN(C2CC2)[C@H](C#N)C1 1365082059 CDTWFMSRPUYPCK-SECBINFHSA-N 318.341 -0.632 30 20 DBED CNC(=O)NCCC(=O)NCCN(C)C(=O)c1c[nH]c(C#N)c1 1373456384 YWBCSLNWRRFQKD-UHFFFAOYSA-N 320.353 -0.606 30 20 DBED N#Cc1ccccc1CNC[C@@H](O)CNC(=O)Cn1cncn1 1374676121 BGLHXADZJCTEEA-CQSZACIVSA-N 314.349 -0.583 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CCCN1C(=O)CN1CCOCC1=O 1387394702 XPDHECXMQHWOIV-NWDGAFQWSA-N 322.365 -0.888 30 20 DBED N#Cc1ccc(C(=O)N2CC(CNC(=O)CCCC(N)=O)C2)[nH]1 1387895102 XKKCWUFWLRHGKL-UHFFFAOYSA-N 317.349 -0.270 30 20 DBED Cc1n[nH]cc1C(=O)N1CCN(CCNC(=O)[C@@H](C)C#N)CC1 1396890282 STXFLKOZDNAGSQ-NSHDSACASA-N 318.381 -0.248 30 20 DBED CC1(C)CN(C(=O)CCn2cc(C#N)c(O)nc2=O)CC[C@@H]1O 1412026418 DRSJMGCCPOXSLY-NSHDSACASA-N 320.349 -0.170 30 20 DBED C[C@H](C#N)C(=O)NCCN(C)C(=O)[C@H]1CCc2nnc(O)n2C1 1415595835 ACIYAFQRYSGKJW-ZJUUUORDSA-N 320.353 -0.720 30 20 DBED CNC(=O)NCCC(=O)N1CC[C@H](CN(C)C(=O)[C@H](C)C#N)C1 1415930276 DIYKRPKZFANXEW-VXGBXAGGSA-N 323.397 -0.228 30 20 DBED Cc1nc(C)c(C(=O)NCCn2cc(C#N)c(O)nc2=O)o1 1418536218 JIHUWHBQTAWIIV-UHFFFAOYSA-N 303.278 -0.145 30 20 DBED C[C@H](NC[C@H](O)CN(C)C(=O)c1cc(C#N)c[nH]1)C(=O)N(C)C 1423434038 OAOKMOLBEXKMJP-JQWIXIFHSA-N 321.381 -0.614 30 20 DBED CC(=O)NCC(=O)N(C)C[C@@H]1CCN1C(=O)c1c[nH]c(C#N)c1 1426713247 HGGXGKOYMXQRSW-ZDUSSCGKSA-N 317.349 -0.305 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)[C@@H]2CCN(C)C(=O)C2)CC1 1432215001 AYNMNCUTPLCKNY-GHMZBOCLSA-N 306.366 -0.221 30 20 DBED Cc1nn(C)c(=O)c(C(=O)N2CC(NC(=O)[C@H](C)C#N)C2)c1C 1456397680 SHJCCJOZYVRHRK-MRVPVSSYSA-N 317.349 -0.503 30 20 DBED Cn1ncc(NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1=O 1467417236 UKPSKKNDZGUYIR-LBPRGKRZSA-N 302.338 -0.016 30 20 DBED C=C(Cl)CNC[C@@H](O)CNC(=O)Cn1cc(C2CC2)nn1 1482737916 WCDBGOVXAIBZCY-LLVKDONJSA-N 313.789 -0.025 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)CN(C)C(=O)C3CC3)[C@H]2C1 1526199483 XFVCJTOTGHLFSJ-PQFRYHKHSA-N 318.377 -0.413 30 20 DBED C[C@H]1CC[C@@H](C(N)=O)CN1c1cnc(C#N)c(-c2nn[nH]n2)n1 1576101468 SJBLMAMDKVVMNM-JGVFFNPUSA-N 313.325 -0.381 30 20 DBED CCOC(=O)CCN(C)c1cnc(C#N)c(-c2nn[nH]n2)n1 1578245566 XAXGNTFRJOVCNY-UHFFFAOYSA-N 302.298 -0.082 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)[C@@H]2C1 1588353541 WKRUQFKGAMXINP-ZWNOBZJWSA-N 311.349 -0.026 30 20 DBED CN1CCN(C(=O)NCC2(C#N)CCOCC2)C[C@@H](C(=O)O)C1 1598605613 BQMUPDLSBOLNRX-LBPRGKRZSA-N 324.381 -0.035 30 20 DBED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1cccc(C(=O)O)n1 1602701280 DSSWMGFAIAEDSM-SECBINFHSA-N 305.290 -0.391 30 20 DBED C=C(CCC(=O)O)C(=O)N1CCC[C@@H](S(=O)(=O)NC)C1 1602776843 ZPLLHCQGIFQQCC-SNVBAGLBSA-N 304.368 -0.052 30 20 DBED C[C@H]1C[C@@H](C(=O)O)CN(C(=O)NCCn2cnc(C#N)n2)C1 1603362842 MMEMWKVKAHOFKH-VHSXEESVSA-N 306.326 -0.098 30 20 DBED C[C@@H](Nc1cnc(C#N)c(-c2nn[nH]n2)n1)C(=O)NCCF 1603685005 CTFOBEYEBUXMIE-ZCFIWIBFSA-N 305.277 -0.586 30 20 DBED N#Cc1nc(NCCN2CCNC2=S)cnc1-c1nn[nH]n1 1606393581 XTQHAOLXITWNAV-UHFFFAOYSA-N 316.354 -0.870 30 20 DBED N#Cc1ccc(N2C[C@@H](C(=O)NCc3nn[nH]n3)CC2=O)cc1 1645554342 JXOGNIOMKGPXDH-JTQLQIEISA-N 311.305 -0.259 30 20 DBED Cn1c(=O)[nH]c(N2CCN(C[C@H]3CCOC3)CC2)c(C#N)c1=O 1646631322 FPNMEEOXGJVYFO-LLVKDONJSA-N 319.365 -0.896 30 20 DBED C=CCN1CCN(CCNC(=O)[C@@H](C)[C@@H]2CCC(=O)N2)CC1 1752372951 MAUNSNUFSMZEJV-KBPBESRZSA-N 308.426 -0.179 30 20 DBED C=CCNC(=O)CN[C@H]1C[C@@H](NC(=O)c2nccc(C)n2)C1 1752723135 GQPCVLIYBDEFFV-TXEJJXNPSA-N 303.366 -0.062 30 20 DBED C#CCNC(=O)CN[C@@H](C)CNC(=O)C(C)(C)c1cnc[nH]1 1752914259 OSZFZTHXEZDPJI-NSHDSACASA-N 305.382 -0.469 30 20 DBED C[C@H](C(=O)NCCN(C)CC(=O)NCC#N)N1CCCCCC1 1753067181 ZOVJWNRIMQZOQT-CQSZACIVSA-N 323.441 -0.061 30 20 DBED C=CCNC(=O)[C@H](C)N1CC(CNC(=O)[C@@H]2CCC(=O)NC2)C1 1753406320 QKMRBEJHLZRLQN-WCQYABFASA-N 322.409 -0.749 30 20 DBED N#CCNC[C@H](O)CNC(=O)Cn1c(=O)oc2ccccc21 1753936429 WMORRGKVMASOER-JTQLQIEISA-N 304.306 -0.815 30 20 DBED C=CCNC(=O)CN(C)C[C@H](C)NC(=O)Cc1ccn(C)n1 1754309557 BRPOBYXEBWNUQM-LBPRGKRZSA-N 307.398 -0.299 30 20 DBED C#CCNC(=O)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCO1 1754547012 LSTUNILQXYRMIN-QLFBSQMISA-N 319.405 -0.020 30 20 DBED Cc1ncncc1C(=O)N[C@]1(C)CCN(CC(=O)NCC#N)C1 1754665827 UMHANYNVZCPCHJ-OAHLLOKOSA-N 316.365 -0.381 30 20 DBED C=CCNC(=O)CNC[C@]1(C)CCN(C(=O)CNC(=O)CC)C1 1754691387 ZIMDGAFNJIVZOV-INIZCTEOSA-N 324.425 -0.357 30 20 DBED COCC#CCN1CC(O)(CNC(=O)[C@@H](C)C(F)(F)F)C1 1754772067 VXTBCDPCALDCHV-SNVBAGLBSA-N 308.300 -0.003 30 20 DBED N#CCNC(=O)CNC[C@H]1CN(C(=O)[C@@H]2CC=CCC2)CCO1 1754996282 XISQGCOPKXAWBE-KGLIPLIRSA-N 320.393 -0.201 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)NC[C@@H]1CN(C(C)=O)CCO1 1754997126 WZGJUOCGYDIUGU-ZYHUDNBSSA-N 312.370 -0.776 30 20 DBED CCn1cc(C(=O)N(C)CCCN(C)CC(=O)NCC#N)nn1 1755044655 SGXJVGUUKQPAAN-UHFFFAOYSA-N 321.385 -0.668 30 20 DBED C=CCN1CC[C@H](N(C)[C@H](C)CNC(=O)c2nnn(C)n2)C1=O 1755312202 CNBAWMBSJAEBGG-MNOVXSKESA-N 321.385 -0.953 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@H]1C[C@H](NC(=O)[C@H]2CCCO2)C1 1755467862 DGAZBYRHRZUVHD-XDQVBPFNSA-N 307.394 -0.212 30 20 DBED C=CCN1CC[C@H](N[C@H](CCNC(=O)C(N)=O)C(C)C)C1=O 1755552171 WEMIFCDUICTWNZ-NEPJUHHUSA-N 310.398 -0.621 30 20 DBED C#CCNC(=O)CN[C@@H](C)CN(C)C(=O)COc1cccnc1 1755612080 ASDCKAPCXBNFAH-ZDUSSCGKSA-N 318.377 -0.354 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H](CO)NCC(=O)NC(C)(C)C 1755628169 QBQNEDJEESOIAQ-RYUDHWBXSA-N 313.398 -0.994 30 20 DBED C=CCNC[C@@H]1CC[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 1755742683 SYMFJJJTWJCJGL-NEPJUHHUSA-N 320.393 -0.242 30 20 DBED CC(C)(NS(C)(=O)=O)C(=O)N1C[C@H](NCC#N)C(C)(C)C1 1755763737 JDHNPFLZHQFWRO-JTQLQIEISA-N 316.427 -0.336 30 20 DBED CN(CC(=O)NCC#N)C[C@H](O)CN(C)C(=O)CC(C)(F)F 1755805773 QJMBQTIWIAXCGI-JTQLQIEISA-N 320.340 -0.577 30 20 DBED C=CCOCC(=O)NC1CC(CNC(=O)[C@H]2CCNC2=O)C1 1755931221 PHVLIFMPPJINRU-MCIGGMRASA-N 309.366 -0.664 30 20 DBED C=CCOCC(=O)N1CC(CCO)(NC(=O)c2[nH]cnc2C)C1 1756084882 NIPIHJOPRPKCPQ-UHFFFAOYSA-N 322.365 -0.386 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC([C@H](C)NC(=O)Cn2cncn2)C1 1756161930 YLPYRBUVPCLSPT-RYUDHWBXSA-N 319.365 -0.721 30 20 DBED C=C[C@](C)(O)CC(=O)N(C)[C@@H](CNC(=O)CC(N)=O)C1CC1 1756408674 DVSUFFAPTGNHOG-NHYWBVRUSA-N 311.382 -0.458 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@H](C)CN(C)C(=O)C1(C(N)=O)CC1 1756488927 QNARYVHHDGRHLV-YGRLFVJLSA-N 311.382 -0.458 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H](CNC(=O)CC(N)=O)C(C)(C)C 1756709212 IBGFSZBRUWEWHD-BONVTDFDSA-N 313.398 -0.164 30 20 DBED C#CCCCC(=O)N(C)C[C@@H]1CCN1C(=O)CCn1cnnn1 1757284587 KAANXVRDVSOBFQ-ZDUSSCGKSA-N 318.381 -0.074 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)CN1CCCC1)CCO2 1783046703 TUFBKTKJEMNOPU-INIZCTEOSA-N 305.378 -0.455 30 20 DBED C#CCN1CCN(C(=O)c2coc(S(=O)(=O)NC)c2)CC1 134172515 VYSQJURIRSGNMV-UHFFFAOYSA-N 311.363 -0.421 30 20 DBED C[C@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)C(=O)N(C)C 191818796 YWNUVEUBUPASSC-JTQLQIEISA-N 302.334 -0.119 30 20 DBED CN(C)C(=O)CN/C(=N\C1CC1)N[C@@H]1CCc2ncnn2C1 262339255 WQWXIHYZRCILIL-LLVKDONJSA-N 305.386 -0.621 30 20 DBED N#C[C@H]1CN(C(=O)C2=CC=CN3CCS(=O)(=O)N=C23)CCO1 264490440 NUTYDRKZKHITHD-JTQLQIEISA-N 322.346 -0.765 30 20 DBED C[C@H](CC#N)N(C)C(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 266374347 RZZGNEYNJPMMNU-AIPRNEOBSA-N 305.334 -0.091 30 20 DBED C#CCNS(=O)(=O)CCNS(=O)(=O)c1ccccc1 268641486 RMFZQEVQYGUZCD-UHFFFAOYSA-N 302.377 -0.483 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCc2ncoc2C)C1=O 270732694 FPEIXRFLAOFLLE-UHFFFAOYSA-N 306.278 -0.424 30 20 DBED C=CCN1CC[C@H](N(C)CC(=O)NCC(=O)N2CCCC2)C1=O 281384406 PKMHTPAASDBCIE-ZDUSSCGKSA-N 322.409 -0.556 30 20 DBED Cn1c(N2CCOC[C@@H]2CC(F)F)c(C#N)c(=O)n(C)c1=O 286274782 FXBBITDWEPZYEB-QMMMGPOBSA-N 314.292 -0.184 30 20 DBED C#CCOc1cccc(NC(=O)C(=O)N(C)[C@@H]2COC[C@H]2O)c1 288836085 DGFWPCSCFBKPOP-ZIAGYGMSSA-N 318.329 -0.145 30 20 DBED C[C@H]1CN(c2nccnc2C#N)CCN1CCN1CCNC1=O 290329745 OUANPBNPUVZENT-LBPRGKRZSA-N 315.381 -0.116 30 20 DBED C=C[C@@H](CO)NC(=O)[C@H]1C[C@H](C)C[C@H]1C(=O)N[C@H](C=C)CO 290713351 WYQCNNJHQDCJHK-KLLCGCCRSA-N 310.394 -0.025 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](CC)C(C)(C)O)C1=O 293886823 CAJCBJVSSZWCPI-VIFPVBQESA-N 311.338 -0.371 30 20 DBED COCc1nc2n(n1)C[C@@H](/N=C(/O)N[C@@H]1[C@H]3COC[C@H]31)CC2 329989279 HWIXGMXSXOGHBN-QISWUMQESA-N 307.354 -0.112 30 20 DBED CCn1cc([C@H]2CN(/C(O)=N/Cc3nnn(C)n3)CCO2)cn1 330221561 LTLGEWDASNHNDK-LLVKDONJSA-N 320.357 -0.086 30 20 DBED CN1C(O)=N[C@@H]2CN(CC(=O)N(CCC#N)CCC#N)CC[C@@H]21 330530954 BEIMIDZXYMEWRC-OLZOCXBDSA-N 318.381 -0.055 30 20 DBED C[C@@H]1CCCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)[C@H]1CO 336950730 TZEKDXFYYNQMIW-WOPDTQHZSA-N 303.384 -0.452 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CCOC[C@H]1C(=O)OC 337057619 DHDDAZKLLJXAEX-JTQLQIEISA-N 305.356 -0.659 30 20 DBED C=CC[C@H](CO)CNS(=O)(=O)N1CCC(C(=O)OC)CC1 341204483 UICBFYPLRRTCAL-NSHDSACASA-N 320.411 -0.110 30 20 DBED C=CCNC(=O)CNC(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccnn1C 345661739 WRFDPYGBDMVFML-IINYFYTJSA-N 319.365 -0.642 30 20 DBED COC(=O)[C@@H](O)CNC(=O)[C@H](C#N)Cc1ccc(C#N)cc1 350703335 UKPZPXJKJUMENX-STQMWFEESA-N 301.302 -0.109 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H](CCOC)C(=O)OC 352585274 CEJCPTNZKNWQCQ-GHMZBOCLSA-N 321.399 -0.120 30 20 DBED C=C[C@H](CO)NC(=O)C(=O)Nc1cc(C(=O)NC)ccc1C 354709615 NNPXNRSREVJLCP-LLVKDONJSA-N 305.334 -0.044 30 20 DBED COC[C@@H](C)NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 355516333 RTZFKZPCWNZYIH-SNVBAGLBSA-N 311.363 -0.012 30 20 DBED N#Cc1ccc([C@H](C(N)=O)N2CCN(CC(N)=O)CC2)cc1 360293081 PIPDBEIPPOULBL-CQSZACIVSA-N 301.350 -0.812 30 20 DBED CC(C)CN1N=C(C(=O)NCCn2cnc(C#N)n2)CCC1=O 375855461 ASFBLJCWFFXIAZ-UHFFFAOYSA-N 317.353 -0.100 30 20 DBED C#CCCCS(=O)(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O 376264650 HWCHHKRYGHFYBF-LBPRGKRZSA-N 310.379 -0.142 30 20 DBED C=CCN1CC[C@H](N2CCC[C@H](N3CCNCC3=O)C2)C1=O 420304879 JIKRFNQIMIAFQZ-KBPBESRZSA-N 306.410 -0.331 30 20 DBED C=CCOC[C@H](NC(=O)C(C)(C)NS(C)(=O)=O)C(=O)OC 435934682 IGRVIIOSDMQFRM-VIFPVBQESA-N 322.383 -0.825 30 20 DBED CC(C)N1CC[C@@H](N(C)S(=O)(=O)N2CCO[C@H](C#N)C2)C1 452098755 BJDULZMGBXRNGN-CHWSQXEVSA-N 316.427 -0.130 30 20 DBED COC(=O)[C@@H]1C[C@@H](O)CN([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 592199187 SMDGHOMBFLSEHW-MGPQQGTHSA-N 317.345 -0.060 30 20 DBED C[C@@H](C#N)CNC(=O)N1CCN(S(=O)(=O)C2CC2)CC1 602288219 SJGVOUWBFLKXLL-JTQLQIEISA-N 300.384 -0.035 30 20 DBED C=CCOC[C@H](NC(=O)C(=O)Nc1cc(C)on1)C(=O)OC 619544524 YIJKZGIFWPFJDV-VIFPVBQESA-N 311.294 -0.218 30 20 DBED O=C(C1CCCC1)N1CC(S(=O)(=O)NCC#CCO)C1 632516134 SNTHPIVWHFEWQO-UHFFFAOYSA-N 300.380 -0.698 30 20 DBED CC#CC[C@H](CO)NC(=O)[C@H]1CCCCN1S(C)(=O)=O 649192871 RLRIOKFTWNQGDM-VXGBXAGGSA-N 302.396 -0.309 30 20 DBED N#CCN(CC#N)C(=O)CCOc1ccc(S(N)(=O)=O)cc1 727756491 GCROXFSKWAADTL-UHFFFAOYSA-N 322.346 -0.021 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2cc(O)cs2)CC1 732285944 LAKDKQKCVFRWQV-UHFFFAOYSA-N 307.375 -0.039 30 20 DBED CN(C)[C@@H]1CCCN(C(=O)C(=O)Nc2cnn(CC#N)c2)C1 746431547 FHFCZSBWDQCALJ-GFCCVEGCSA-N 304.354 -0.102 30 20 DBED Cc1nn(C)c(N2CCN(C(=O)C3=NNC(=O)C3)CC2)c1C#N 788590621 DTMMLVDTELKGOO-UHFFFAOYSA-N 315.337 -0.875 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1CC(=O)N(C)C[C@H]1C 800122336 BZTKTVPHQWQJLU-LLVKDONJSA-N 318.399 -0.744 30 20 DBED C=CCOC[C@@H]1NC(=O)N(C[C@@H]2CN3CCC[C@H]3CO2)C1=O 804155592 YLGGJWQUKYGVMN-AVGNSLFASA-N 309.366 -0.027 30 20 DBED N#Cc1cc(O)cc(C(=O)NC2CCN(CC(N)=O)CC2)c1 809571026 GAFKJDLLTBJYOU-UHFFFAOYSA-N 302.334 -0.057 30 20 DBED CCOC(=O)C(=O)N1CCN(C(=O)[C@@H](N)CCCC#N)CC1 818217329 ODZLCKPDHTYDKY-NSHDSACASA-N 310.354 -0.759 30 20 DBED N#CCN(CC(=O)O)CC1=Nc2ccccc2S(=O)(=O)N1 833066917 LOLHJHATAGEXEL-UHFFFAOYSA-N 308.319 -0.081 30 20 DBED C#CCNC(=O)[C@H](C)N1[C@H]2CC[C@H]1[C@H](C(=O)OC)[C@H]2C(=O)O 833365933 XYBJJAOERZALSR-HTFCKZLJSA-N 308.334 -0.539 30 20 DBED C=C(C)CONC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C 846540170 VERGPKMSMQITDC-UHFFFAOYSA-N 306.322 -0.187 30 20 DBED C/N=C(/NCCC(=O)NC(C)(C)C)NCCN1CCOCC1 849003405 JYRSGUVBOXJMMW-UHFFFAOYSA-N 313.446 -0.212 30 20 DBED COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N[C@@H](C#N)CO 854872374 JGOURYBDJDYOGZ-VIFPVBQESA-N 323.261 -0.205 30 20 DBED COC(=O)[C@H](CCNC(=O)C#CC1CC1)NC(=O)C#CC1CC1 870862896 FICDCLMCGDAMGG-AWEZNQCLSA-N 316.357 -0.023 30 20 DBED C#CCSCC(=O)O[C@H](C)C(=O)N1CCN(C(C)=O)CC1 885894590 ZJZFBQSZPYXFOB-LLVKDONJSA-N 312.391 -0.025 30 20 DBED C#CCNC(=O)CN1CCN(c2c([N+](=O)[O-])cnn2C)CC1 892321650 CIPQDIVPTGNVSR-UHFFFAOYSA-N 306.326 -0.800 30 20 DBED CS(=O)(=O)c1ccc(C(=O)N2CCN(CC#N)CC2)cn1 933236168 FSPVZHGERPXPHG-UHFFFAOYSA-N 308.363 -0.234 30 20 DBED CN1CC[C@@H](C(=O)N[C@H]2CCN(C(=O)C#CC3CC3)C2)CC1=O 938231194 GIMKRFXQIFJNPX-KGLIPLIRSA-N 317.389 -0.015 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H]1CNC(=O)[C@H]1CCCC(=O)N1 944251735 YSVHDWSTGQYUMY-QJPTWQEYSA-N 306.366 -0.078 30 20 DBED C=CCN1CC[C@@H](N2CCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)CC2)C1=O 949757692 BCAQGMJJDWTOIX-BARDWOONSA-N 319.405 -0.190 30 20 DBED C#CCCN1C[C@@H](O)[C@@H](CNC(=O)c2c(C)ncnc2O)C1 958345351 NDIIOJXTEIWENV-NWDGAFQWSA-N 304.350 -0.464 30 20 DBED C#CCCN1C[C@@H](O)[C@H](CNC(=O)c2c[nH]c(C(N)=O)c2)C1 958673576 SYPCYAHVXNFDGU-DGCLKSJQSA-N 304.350 -0.841 30 20 DBED N#CCN1C[C@H](O)[C@H](CNC(=O)c2noc3c2COCC3)C1 958725028 UZWRTJMODSDJNI-KOLCDFICSA-N 306.322 -0.707 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CN2CCCC2)C1 958851114 CYIIEMHPSALHRZ-AGIUHOORSA-N 308.382 -0.728 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)[C@H]1CN(C(=O)C2CC2)C[C@@H]1O 958878284 MEEZEBIOHSKKBE-KKUMJFAQSA-N 319.405 -0.476 30 20 DBED CS(=O)(=O)c1cc(C(=O)NC2[C@@H]3CN(CC#N)C[C@@H]23)co1 960002586 NHVLELFVGHJNCL-NXEZZACHSA-N 309.347 -0.133 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H]2CN(C(=O)[C@@H]3CCC(=O)N3)C[C@H]21 963825758 AKTSQQNTVKYIBD-MROQNXINSA-N 318.377 -0.126 30 20 DBED O=C(NC[C@@H]1COCCN1C(=O)C#CC1CC1)c1ccncn1 964320176 LWVYULTTWVFWAZ-CYBMUJFWSA-N 314.345 -0.153 30 20 DBED C[C@H]1CCN(CC#N)C[C@@H]1NC(=O)CN1CCCS1(=O)=O 966521976 IIIUQXBZRJYCND-RYUDHWBXSA-N 314.411 -0.628 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)c1 970409519 RCGZLFGPLCLKRE-GDLCADMTSA-N 312.329 -0.476 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CCNC2=O)C1 973494221 ATTZCEVHXDMNHN-VEGXAWMVSA-N 321.377 -0.523 30 20 DBED C[C@@H](C#N)C(=O)N1[C@H]2CC[C@H]1CC(NC(=O)Cn1ncnn1)C2 973609027 AOXAJAXODJQZJP-DLOVCJGASA-N 317.353 -0.529 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H](CNC(=O)c2cnnn2C)C1 975235798 JCWHEJADKGLQKR-WDEREUQCSA-N 304.354 -0.057 30 20 DBED CC(=O)N1CCC[C@@H]1C(=O)N[C@H]1[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]21 976705543 KBSGHMVYOGVJAN-LPUQOGTASA-N 318.377 -0.270 30 20 DBED N#CCN[C@@H]1CCC[C@@H](NC(=O)c2nccnc2C(N)=O)C1 981510229 NXMKTMWEUVPABH-NXEZZACHSA-N 302.338 -0.270 30 20 DBED C#CCN1CCCN(C(=O)CN2C(=O)NC(C)(C)C2=O)CC1 989607632 UHCQNBTXZMPULD-UHFFFAOYSA-N 306.366 -0.516 30 20 DBED N#Cc1ccc(C(=O)N2CC(NC(=O)CN3CCOCC3)C2)[nH]1 990902639 FSNWQFRGLGDHGX-UHFFFAOYSA-N 317.349 -0.841 30 20 DBED O=C(N[C@H]1CCN(C(=O)C#CC2CC2)C[C@H]1O)c1cc[nH]n1 991310085 PYAHNOHUODWVCE-WCQYABFASA-N 302.334 -0.485 30 20 DBED C#CCN1CC[C@]2(NC(=O)c3nnc(O)nc3O)CCC[C@@H]12 991617033 APQDAJCIFCOCBB-YMTOWFKASA-N 303.322 -0.357 30 20 DBED C#CCN[C@@H]1CCC[C@H]2CN(C(=O)CN3CC(=O)NC3=O)C[C@@H]21 992865703 YYIAULGMZPFTCN-RWMBFGLXSA-N 318.377 -0.612 30 20 DBED CC(C)CN1C[C@@H](C(=O)NC2CN(C(=O)[C@H](C)C#N)C2)CC1=O 993778339 NLHPNNFRZZPKRY-NEPJUHHUSA-N 320.393 -0.022 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)c2cn([C@H]3CCOC3)nn2)C1 999711057 IUGMBBACURCGJF-ONGXEEELSA-N 318.337 -0.660 30 20 DBED C#CCCN1CC[C@H](n2cc(CNC(=O)c3nc[nH]n3)nn2)C1 1000030177 RJEDKVQHTRNMBC-LBPRGKRZSA-N 314.353 -0.404 30 20 DBED C#CCN1CC=C(CNC(=O)[C@H]2CCN(C)S2(=O)=O)CC1 1001254162 IOBJLNFZYRXGKS-CYBMUJFWSA-N 311.407 -0.598 30 20 DBED C#Cc1ccc(C(=O)NCC2CN(C(=O)c3cn(C)nn3)C2)nc1 1003467384 CJTFUVKZVCKQDB-UHFFFAOYSA-N 324.344 -0.307 30 20 DBED CC#CCN1CCC(N(C)C(=O)C[C@@H]2NC(=O)NC2=O)CC1 1005521452 KXAMPSQPBUNIAN-LBPRGKRZSA-N 306.366 -0.469 30 20 DBED C[C@@H](NC(=O)[C@H]1CCN(C)C1=O)C1CN(C(=O)C#CC2CC2)C1 1006639898 AXGNHWRJMBKHQX-BXUZGUMPSA-N 317.389 -0.159 30 20 DBED N#CCN1CCC[C@H](NC(=O)C2CC3(C2)CS(=O)(=O)C3)C1 1007631837 CCZLYFAIZSBYBL-LBPRGKRZSA-N 311.407 -0.085 30 20 DBED C#CCN1CCC[C@@H](NC(=O)Cc2c(C)nc(O)nc2O)C1 1008965384 JSWLKMUILVXPAU-LLVKDONJSA-N 304.350 -0.047 30 20 DBED CCn1nncc1C(=O)NCC1[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]12 1009041418 NZXOTEROFPAIDM-USWWRNFRSA-N 316.365 -0.108 30 20 DBED C#Cc1ccc(C(=O)N2C[C@@H](NC(=O)C(N)=O)C[C@H]2C)cn1 1013466940 CFQQZUZXHMKUQF-SKDRFNHKSA-N 300.318 -0.733 30 20 DBED C#CCCN1CC[C@H](NC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 1015368073 HIEVSLROLQJYQV-AAEUAGOBSA-N 301.350 -0.421 30 20 DBED C#CCCN1CC[C@@H](NC(=O)C2CC3(C2)NC(=O)NC3=O)C1 1015831017 JZGXJOYRMCIWJM-LOIXOFCESA-N 304.350 -0.812 30 20 DBED O=C1CC[C@H](C(=O)N2CC3(CCN(C(=O)C#CC4CC4)C3)C2)N1 1018875928 GTZWKMBCJKIKCW-CYBMUJFWSA-N 315.373 -0.261 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)c3csnn3)C2)C1=O 1030754572 AETWIUVVRBAYMD-LLVKDONJSA-N 307.379 -0.261 30 20 DBED CC#CCN1CC(CNC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 1031871083 MRBFKTMMXCMUIV-ZDUSSCGKSA-N 301.350 -0.563 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCC1CN([C@@H](C)c2nnnn2C)C1 1031987142 VELMQQANTXJLAK-UHTWSYAYSA-N 320.397 -0.090 30 20 DBED C[C@H]1CN(C(=O)C#CC2CC2)CC[C@H]1NCc1nc(=O)n(C)[nH]1 1036031067 UYHYXTKMXUCJRI-WCQYABFASA-N 317.393 -0.152 30 20 DBED C=CCN[C@H]1CCN(C(=O)CN2C(=O)CN(C)C2=O)C[C@@H]1C 1036287576 WPURGHBBPOYCMF-RYUDHWBXSA-N 308.382 -0.107 30 20 DBED C#CCCN1C[C@H]2C[C@H]1[C@H]2NC(=O)c1ccc(-n2cnnn2)cn1 1037523686 RBJZJGODGNQIHF-UGFHNGPFSA-N 323.360 -0.117 30 20 DBED Cn1nnc(CN2CC[C@@H]2CNC(=O)c2cc(C#N)c[nH]2)n1 1038150228 DFWVVODFWZJWSV-SNVBAGLBSA-N 300.326 -0.586 30 20 DBED C=CCN1[C@H]2CCC[C@H]1CN(C(=O)Cn1cnc(C(N)=O)n1)C2 1039592590 OJAJWOSWNOGAGC-RYUDHWBXSA-N 318.381 -0.372 30 20 DBED C[C@@H]1CCN(C(=O)C(N)=O)C[C@@H]1CNc1nccnc1C#N 1039886900 AEMJVSKAKIPZEK-ZJUUUORDSA-N 302.338 -0.270 30 20 DBED C[C@H]1[C@@H](Nc2ccc(C#N)nn2)CCN1C(=O)[C@@H]1CCNC1=O 1040213474 OWLGLXGYWQSZRT-WCQGTBRESA-N 314.349 -0.114 30 20 DBED N#Cc1nccnc1N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCO2)C1 1040924243 GYSNNFWNOIGZGO-IJLUTSLNSA-N 303.322 -0.807 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)[C@H]2CCCOC2)C1 1042003987 SGQNNCFDXZXZIS-OLZOCXBDSA-N 324.377 -0.859 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)CC2CCC2)C1 1042342147 LQGWJOUQBWNERH-UHFFFAOYSA-N 308.378 -0.094 30 20 DBED Cc1cc(C(=O)NCC2(O)CN(C(=O)C#CC(C)C)C2)ncn1 1042588393 DQONYCYRNFEFSQ-UHFFFAOYSA-N 316.361 -0.252 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)c2ccc(C#N)[nH]2)C1 1042608300 BGCQHIDUOACHFU-SECBINFHSA-N 301.306 -0.651 30 20 DBED C=C1CC(C)(C(=O)N2CC(O)(CNC(=O)[C@H](C)NC(N)=O)C2)C1 1042760580 SMTRRUKLEYMRQA-JTQLQIEISA-N 324.381 -0.911 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCN(C)C2)C1 1042801379 LHCQTEOUKOGIOT-CYBMUJFWSA-N 307.394 -0.569 30 20 DBED Cc1ccc(CC(=O)NCC2(O)CN(C(=O)[C@@H](C)C#N)C2)cn1 1043133499 QWROKPQNJBLMMW-NSHDSACASA-N 316.361 -0.218 30 20 DBED C=CCC(CC=C)C(=O)NCC1(O)CN(C(=O)c2nc[nH]n2)C1 1043187842 VSGVLVBYFHNIRP-UHFFFAOYSA-N 319.365 -0.124 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)C2(C3CC3)CC2)C1 1043492709 PHBLTRKSYCTQGH-UHFFFAOYSA-N 320.389 -0.094 30 20 DBED CC(C)[C@H](C(=O)NCC1(O)CN(C(=O)[C@H](C)C#N)C1)N(C)C 1044287637 NXUIKSWAJPBSBR-VXGBXAGGSA-N 310.398 -0.578 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)c2cnn3c2CCC3)C1 1045564030 BHECUWTZIBOGDT-JTQLQIEISA-N 317.349 -0.708 30 20 DBED C#CCN1CC[C@@H](N2CCN(C(=O)[C@H]3CCCC(=O)N3)CC2)C1 1046036834 GYQOYFWEPHKYSY-HUUCEWRRSA-N 318.421 -0.493 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccnc3c2nnn3C)C1 1047505075 ZRIFHHAHTXXXRA-RYUDHWBXSA-N 316.365 -0.334 30 20 DBED C=CCCN1C[C@H](O)[C@@H](N(C)C(=O)CN2C(=O)CCC2=O)C1 1047622831 OJOOXMMDEUVUFQ-RYUDHWBXSA-N 309.366 -0.785 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)[C@@H]1CCc2nccn2C1 1050988165 AZUVVHXAYOCGHP-ZIAGYGMSSA-N 302.378 -0.104 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)c1cccc(C(=O)NC)n1 1051228190 CGSOJQVICFZDBN-GFCCVEGCSA-N 316.361 -0.495 30 20 DBED C=CCN1CC[C@@H](NC[C@@H]2CN(C(=O)C(F)F)CCO2)C1=O 1051380947 PONTXEKXYAMYQC-GHMZBOCLSA-N 317.336 -0.145 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H]1CN(C(=O)C2CC2)C[C@H]1C 1051721631 TYZCCWWRZLUZHQ-YPMHNXCESA-N 305.378 -0.253 30 20 DBED CC(=O)NCC(=O)N1C[C@H](C)[C@H](CNC(=O)C#CC(C)C)C1 1051823771 DCJQEDQOMXNYJF-GXTWGEPZSA-N 307.394 -0.007 30 20 DBED Cn1c(O)ncc(C(=O)N[C@@H]2CCCN(CC#N)CC2)c1=O 1052617733 OIJGCDKNOROXDA-SNVBAGLBSA-N 305.338 -0.406 30 20 DBED CN1CC[C@@H](C(=O)N2CCOC3(CN(CC#N)C3)C2)CC1=O 1053314207 NXHNAOJXNUKKOW-GFCCVEGCSA-N 306.366 -0.708 30 20 DBED C=CCn1cc(C(=O)N2CCOC3(CN(C[C@@H](C)O)C3)C2)nn1 1053464065 XXGHWERNFRZGFX-GFCCVEGCSA-N 321.381 -0.628 30 20 DBED N#CCN1CC2(CC[C@@H](CNC(=O)c3cc4n(n3)CCO4)O2)C1 1053609833 FWZVWYAPHUXVFQ-NSHDSACASA-N 317.349 -0.238 30 20 DBED C[C@@H](O)CN1CC2(C[C@H](NC(=O)c3ccc(C#N)[nH]3)CO2)C1 1053781466 KURKMNIMOZCPID-PWSUYJOCSA-N 304.350 -0.160 30 20 DBED C=CCCN1CC2(C[C@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)CO2)C1 1053924142 LUHQWBZPPPHQEN-RWMBFGLXSA-N 323.393 -0.445 30 20 DBED C[C@H](C#N)C(=O)N[C@@]1(CO)CCCN(C(=O)c2cn(C)nn2)C1 1056094691 VVEXTZYKIVUYJP-YGRLFVJLSA-N 320.353 -0.942 30 20 DBED N#Cc1ccc(N2C[C@H]3C(NC(=O)[C@H]4COC(=O)N4)[C@@H]3C2)nn1 1056196013 XREMAJFVIKXQCS-OPRDCNLKSA-N 314.305 -0.993 30 20 DBED Cn1cncc1C(=O)NC1[C@H]2CN(c3ccnc(C#N)n3)C[C@H]12 1056335442 ITBLIFIBNBNCAE-UWVGGRQHSA-N 309.333 -0.054 30 20 DBED C=C[C@](C)(O)CC(=O)NCCN(CCO)C(=O)c1ccnn1C 1057152670 NAQODHSNPZLJRX-HNNXBMFYSA-N 324.381 -0.702 30 20 DBED N#Cc1cncc(NC2CCN(C(=O)Cn3cnnn3)CC2)n1 1057282636 ZRIWNQQAANOQPQ-UHFFFAOYSA-N 313.325 -0.562 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)CCCC(N)=O 1057445187 LCAMSXZQUNNCKG-UHFFFAOYSA-N 311.382 -0.617 30 20 DBED C=CCO[C@H](C)C(=O)N(CCO)CCNC(=O)c1cncnc1 1057921803 PSQXJCAOUAWCAE-GFCCVEGCSA-N 322.365 -0.382 30 20 DBED N#Cc1nccc(N2CCC[C@@H](NC(=O)Cc3nc[nH]n3)C2)n1 1058194207 QLYJRWPUQSJPBM-SNVBAGLBSA-N 312.337 -0.206 30 20 DBED C=C(C)C[C@@H](C)C(=O)N(CCO)CCNC(=O)CC(=O)NC 1058464150 PAIYLJBIEYJQBE-GFCCVEGCSA-N 313.398 -0.338 30 20 DBED CN1CCOC[C@@H]1C(=O)N1CC[C@H](N=c2cc[nH]c(C#N)n2)C1 1058855214 VCCCNEQQKBSAAX-NWDGAFQWSA-N 316.365 -0.886 30 20 DBED N#Cc1cnc(N[C@H]2CCN(C(=O)CCn3cnnn3)C2)cn1 1058947510 GKQMGMRXXOZLRL-JTQLQIEISA-N 313.325 -0.562 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](CCNC(=O)c2cnnn2C)C1 1060289126 JUDKILCSOMWFCF-WDEREUQCSA-N 304.354 -0.057 30 20 DBED C=CCOCC(=O)NC[C@@H]1COCCN1C(=O)Cc1ccon1 1061423392 JIUDJOVZLOZLBH-CYBMUJFWSA-N 323.349 -0.237 30 20 DBED N#Cc1nccnc1N1CCC[C@H]1CNC(=O)[C@H]1CNC(=O)N1 1061440244 CDCMYJAHWMGEKY-GXSJLCMTSA-N 315.337 -0.885 30 20 DBED CN1CC[C@@H](C(=O)N2CCOC[C@@H]2CNC(=O)C#CC2CC2)C1 1061572439 VSRQCRKYALOVNZ-CABCVRRESA-N 319.405 -0.305 30 20 DBED Cc1cc(CC(=O)N2CCOC[C@@H]2CNC(=O)[C@H](C)C#N)n[nH]1 1061845606 JWEPEBBEQVDFQB-MFKMUULPSA-N 319.365 -0.236 30 20 DBED C#CCO[C@H](C)C(=O)N1CCCC[C@@H]1CNC(=O)CNC(N)=O 1062211456 QHGNQIPRNNFXDZ-VXGBXAGGSA-N 324.381 -0.810 30 20 DBED Cc1cc(C#N)nc(N2C[C@@H]3C[C@H]2CN3C(=O)c2cnnn2C)n1 1062480872 CULYKGDJMJCMRU-RYUDHWBXSA-N 324.348 -0.112 30 20 DBED Cn1nncc1C(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(C#N)n1 1062481718 XSCKQIYHZPGTNL-QWRGUYRKSA-N 310.321 -0.420 30 20 DBED CN(C(=O)c1ncn(C)n1)[C@H]1CCN(c2ccc(C#N)nn2)C1 1062926432 BLLLSDZYIDNBCF-NSHDSACASA-N 312.337 -0.172 30 20 DBED C#CCOCCC(=O)NCC1(NC(=O)[C@H]2CCC(=O)N2)CCC1 1063038576 LQSIIOWVGXUSFH-GFCCVEGCSA-N 321.377 -0.540 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)C[C@H]2CC(=O)NC2=O)CCC1 1063596988 HZCZIMGIUHHYQE-ZJUUUORDSA-N 320.349 -0.646 30 20 DBED Cc1nc(CC(=O)N[C@@H]2[C@H]3C[C@H]2N(c2cncc(C#N)n2)C3)n[nH]1 1064249779 ILVCBSDRSYYRJN-ZVWUFJHRSA-N 324.348 -0.289 30 20 DBED C=CCO[C@H](C)C(=O)NC[C@H]1CN(C(=O)CCOC)CCO1 1064736271 RUAPUSMWWDEWQL-OLZOCXBDSA-N 314.382 -0.042 30 20 DBED CN(C)C(=O)CC(=O)NC[C@H]1CN(C(=O)C#CC2CC2)CCO1 1065137062 LPCZTFOMHQXWKU-ZDUSSCGKSA-N 321.377 -0.778 30 20 DBED C[C@]1(NC(=O)[C@@H]2CNC(=O)N2)CCN(c2cncc(C#N)n2)C1 1065325948 JWHNPIGNBWWKQE-HZMBPMFUSA-N 315.337 -0.885 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)Cc2ccon2)C1 1065555834 AIUKSMKLKMQPGC-PWSUYJOCSA-N 306.322 -0.280 30 20 DBED N#Cc1nccc(N2CCOC[C@H]2CNC(=O)[C@@H]2CCCO2)n1 1066457946 WOHHYVUUVBZKAI-NEPJUHHUSA-N 317.349 -0.151 30 20 DBED Cc1nsc(NC[C@@H]2CN(C(=O)C(N)=O)CCO2)c1C#N 1066669076 PUEGQEJMHWNRDP-MRVPVSSYSA-N 309.351 -0.552 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](CNC(=O)c3ccncc3)C2)nn1 1067642972 NUFWBGZHJBZQLA-TZMCWYRMSA-N 324.344 -0.030 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CCCN(C(=O)CS(C)(=O)=O)C1 1070495101 ATKUVGOGNPMIMR-GFCCVEGCSA-N 314.407 -0.202 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2cncn2C)C[C@H]1c1cn(C)cn1 1070509500 AWELREWFZQVGPN-GXTWGEPZSA-N 312.377 -0.015 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H](NC(=O)COCCN(C)C)C1 1071229554 SYMJCVZWTGEXFK-CHWSQXEVSA-N 310.398 -0.169 30 20 DBED C[C@H]1CN(C(=O)CSCC#N)C[C@@H]1NC(=O)c1ncn(C)n1 1071661560 LXANOZAGVMBPJP-UWVGGRQHSA-N 322.394 -0.351 30 20 DBED C#CCOCCC(=O)N1C[C@@H](NC(=O)Cn2nccn2)[C@H](C)C1 1072101631 QBOSLPHGCFYFKR-CHWSQXEVSA-N 319.365 -0.719 30 20 DBED C#CCOCCC(=O)N[C@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1C 1072389732 HBWKXNIRUJRKRQ-YPMHNXCESA-N 319.365 -0.568 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(C(=O)c2ncn(C)n2)C[C@@H]1C 1073819797 JPHPVBLAWOMLAA-RYUDHWBXSA-N 321.381 -0.016 30 20 DBED O=C(NCC1(O)CCN(C(=O)C#CC2CC2)CC1)c1cnon1 1074581338 UFFLFHVUQQQVQZ-UHFFFAOYSA-N 318.333 -0.434 30 20 DBED C=CCC(CC=C)C(=O)NCC1(O)CCN(C(=O)C(N)=O)CC1 1074701047 PXPWIIXUQPVKBW-UHFFFAOYSA-N 323.393 -0.290 30 20 DBED C#CCN1C[C@@H]2CCN(C(=O)CCn3cc[nH]c(=O)c3=O)[C@@H]2C1 1076366973 PFYXYSFYAKLSHB-QWHCGFSZSA-N 316.361 -0.907 30 20 DBED CC(C)C#CC(=O)NCC[C@H](C)NC(=O)c1nnc(O)nc1O 1076411761 XNKWLEAPAIGWTQ-VIFPVBQESA-N 321.337 -0.433 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)c2[nH]c(O)nc2C)C1 1077185388 ZGKPRYUJTSAMPU-RKDXNWHRSA-N 300.746 -0.049 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCS(=O)(=O)C2)C1 1077333812 POOADYOBTGSGLF-IJLUTSLNSA-N 302.396 -0.842 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2CN(C[C@H](C)OC)C[C@H]2O)c1 1077648854 VIRFSUULCOTDRN-NILFDRSVSA-N 303.362 -0.127 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2c[nH]nc2-c2cccnc2)C1 1077849864 RZRCRTLZEQOUOU-ZIAGYGMSSA-N 311.345 -0.120 30 20 DBED C=CCCn1cc(C(=O)N2C[C@H](CNC(=O)CC)[C@@H](O)C2)nn1 1081143670 DQNJUWREZVQFKK-AAEUAGOBSA-N 321.381 -0.187 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)Cc2ncc[nH]2)C[C@H]1O 1081336484 ZCAPVFSTPMWTJD-NWDGAFQWSA-N 306.366 -0.146 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCC(=O)N2C(C)C)C1 1083724182 VXHYMWASYUATEJ-RDBSUJKOSA-N 307.394 -0.430 30 20 DBED Cn1ncc2c1C[C@@H](C(=O)N[C@@H]1CN(CC#N)C[C@@H]1O)CC2 1083728101 FULLMNLOMIVCRI-SUHUHFCYSA-N 303.366 -0.790 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)Cn2nnc3c2CCCC3)C1 1083785726 PGOYLKPAMJZVSY-HIFRSBDPSA-N 317.393 -0.659 30 20 DBED CC#CCN1CC[C@@H]1CN(C)C(=O)[C@H]1COCCN1C(C)=O 1085979530 VGYXDKKOQQLWKA-HUUCEWRRSA-N 307.394 -0.210 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)[C@@H]3CCS(=O)(=O)C3)C[C@@H]2C1 1088032187 DKLCSPYLARTMIW-MCIONIFRSA-N 310.419 -0.165 30 20 DBED C#CCN1CC[C@H](NC(=O)c2nc(O)nc(O)c2OC)[C@H]1C 1088977567 GJADSZNYLDNAGC-BDAKNGLRSA-N 306.322 -0.278 30 20 DBED C=CCN1CC[C@H](N(C)C[C@@H]2CCCCN2C(=O)C(N)=O)C1=O 1089221920 UMEYEKFYUCMJKL-STQMWFEESA-N 322.409 -0.429 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2cccc(C(N)=O)c2)[C@@H](O)C1 1090364451 JLAZGRSKAIMLRH-GJZGRUSLSA-N 315.373 -0.026 30 20 DBED C=CCCN1CC[C@H](NC(=O)c2cn(C)c(=O)cn2)[C@@H](O)C1 1090446343 QXTUZNUPOLCMKT-AAEUAGOBSA-N 306.366 -0.479 30 20 DBED CNC(=O)c1cccc(C(=O)N[C@@H]2CCN(CC#N)C[C@H]2O)n1 1090767386 JDKYQFDIBKHNSB-ZWNOBZJWSA-N 317.349 -0.870 30 20 DBED C=CCN1C[C@@H](C)[C@H](CNC(=O)c2cn(C)c(=O)n(C)c2=O)C1 1093017328 ZGUUOOFJKABPBQ-VXGBXAGGSA-N 320.393 -0.432 30 20 DBED CC(C)(C(N)=O)C(=O)NC1[C@H]2CN(c3cnc(C#N)cn3)C[C@H]12 1093317157 WBIKXZRWTIOUMG-UWVGGRQHSA-N 314.349 -0.589 30 20 DBED C[C@@]1(C(=O)N2CCC(OC3CN(CC#N)C3)CC2)CCC(=O)N1 1093569260 ZKSUXAAIHQDHGI-INIZCTEOSA-N 320.393 -0.130 30 20 DBED CC(=O)N1CC[C@H](C(=O)NCCNc2cnc(C#N)cn2)C1 1093781848 WOLUCNCPSJKFEN-NSHDSACASA-N 302.338 -0.255 30 20 DBED N#Cc1nc(=NCCNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)cc[nH]1 1094203468 TYQODIMAHSOKJB-NEPJUHHUSA-N 316.365 -0.839 30 20 DBED C=CCN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN1CCNC(=O)C1)C2 1094978818 VRNOEHBDMCIOJE-IHRRRGAJSA-N 306.410 -0.427 30 20 DBED COC[C@@H](OC)C(=O)N[C@H]1CCN(c2cncc(C#N)n2)C1 1096482190 IONCRAPNTFDACT-CMPLNLGQSA-N 305.338 -0.295 30 20 DBED CNC(=O)NCCC(=O)N1CC[C@H](Nc2ccc(C#N)nn2)C1 1096931848 HRDUZMFINFAHQI-NSHDSACASA-N 317.353 -0.320 30 20 DBED C[C@@H](CNC(=O)[C@H]1COCCN1C)Nc1cnc(C#N)cn1 1097765074 NDUFCOBSARWILE-CMPLNLGQSA-N 304.354 -0.405 30 20 DBED Cc1cc(=N[C@@H](C)CNC(=O)c2nnn(C)n2)c(C#N)c[nH]1 1098200540 ZCHAHZRJFUHJCT-VIFPVBQESA-N 300.326 -0.563 30 20 DBED C[C@@H](CNC(=O)[C@H]1CC(=O)N(C)C1)N=c1cc[nH]c(C#N)n1 1098346448 PZLSLXMSDCHTFO-UWVGGRQHSA-N 302.338 -0.835 30 20 DBED C[C@H](CCNC(=O)Cn1cnnc1O)Nc1cncc(C#N)n1 1098989163 JNXMUQRNIZIQEP-SECBINFHSA-N 316.325 -0.348 30 20 DBED Cc1cc(C#N)nc(N[C@H](C)CCNC(=O)c2nnn(C)n2)n1 1099619147 NUIDDYSDJAMSDX-MRVPVSSYSA-N 315.341 -0.199 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2cnn(C)c2C)[C@H](O)C1 1099663958 WNQSSPORKHIHIB-LSDHHAIUSA-N 320.393 -0.457 30 20 DBED C[C@H](CCNC(=O)[C@@H]1CNC(=O)N1)Nc1ncccc1C#N 1099683243 YPMZKBHTCUTGOJ-KOLCDFICSA-N 302.338 -0.059 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)CC(F)(F)F)[C@@H](O)C1 1099713885 ZKQZEYVJAIGRRK-UWVGGRQHSA-N 323.315 -0.208 30 20 DBED Cc1cc[nH]c1C(=O)N[C@H]1CCN(CC(=O)NCC#N)C[C@H]1O 1099798707 AYYYYMPNFRSFQF-NWDGAFQWSA-N 319.365 -0.872 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)c2ccns2)[C@@H](O)C1 1099853999 ZQEBCCHELMLSJN-MNOVXSKESA-N 324.406 -0.390 30 20 DBED C=CC(C)(C)C(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[nH]2)C[C@@H]1O 1099944312 LTWAQAWNBMTFNB-QWRGUYRKSA-N 323.397 -0.628 30 20 DBED N#CCN1CC[C@H](NC(=O)CCc2ccc(O)nc2)[C@@H](O)C1 1099970411 XBTFCYXLXAJWSV-STQMWFEESA-N 304.350 -0.205 30 20 DBED Cc1ccc(C#N)c(N(C)CCNC(=O)[C@@H]2COC(=O)N2)n1 1100049313 AQDWWACGKHWBSI-NSHDSACASA-N 303.322 -0.078 30 20 DBED CN1C[C@@H](C(=O)NCCN(C)c2ncccc2C#N)NC1=O 1100255308 IXPOUOMTWLFGFZ-NSHDSACASA-N 302.338 -0.471 30 20 DBED CN(CCNC(=O)CN1CCOCC1=O)c1ncccc1C#N 1100382543 HDJAVCOIUAIQHL-UHFFFAOYSA-N 317.349 -0.636 30 20 DBED COCC#CCN1C[C@@H]2CN(C(=O)[C@@H]3CCC(=O)N3)C[C@]2(C)C1 1101435236 DXQMODWNPANAST-KEYYUXOJSA-N 319.405 -0.305 30 20 DBED CN(CCNc1cnc(C#N)cn1)C(=O)[C@@H]1CC[C@H]1C(N)=O 1101893105 QXAQTCBBENCLIY-GHMZBOCLSA-N 302.338 -0.270 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](CN(C)c2ncccn2)C1 1102439499 FVBOHYLGEIKDAJ-ZDUSSCGKSA-N 315.377 -0.099 30 20 DBED C#CCN1C[C@@H](C)[C@H](CNC(=O)[C@H](CCC(N)=O)NC(C)=O)C1 1102469343 BXRBVLQKVIJBNX-BNOWGMLFSA-N 322.409 -0.926 30 20 DBED C#CCN1C[C@@H](C)[C@H](CNC(=O)Cn2nc(C)n(C)c2=O)C1 1102540762 XDWXPKMZSFKKDL-DGCLKSJQSA-N 305.382 -0.792 30 20 DBED C#CCN1C[C@@H](C)[C@H](CCNC(=O)CN2CCN(C)C(=O)C2)C1 1103163915 WNEWFGIOAVALHV-HUUCEWRRSA-N 320.437 -0.532 30 20 DBED CC[C@H](CNC(=O)Cn1ncnn1)N=c1cc(C)[nH]cc1C#N 1103208250 XTOFJLHSAOOBSF-GFCCVEGCSA-N 314.353 -0.323 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)[C@@H]1CCC(=O)N1C 1104761827 BDQKWFIRJHDFFJ-QWRGUYRKSA-N 316.365 -0.350 30 20 DBED C=CCNCc1cn(C2CN(C(=O)c3cc[n+]([O-])cc3)C2)nn1 1105145565 ZYTGWPXOFRJJCK-UHFFFAOYSA-N 314.349 -0.116 30 20 DBED C=CCNCc1cn(C2CN(C(=O)[C@H]3COCCO3)C2)nn1 1105165179 OFRBMSWFHMZQMN-CYBMUJFWSA-N 307.354 -0.648 30 20 DBED COCC#CCNCc1cn(C2CN(C(=O)[C@H](C)C#N)C2)nn1 1105190470 YKZVEENTLUWVKM-GFCCVEGCSA-N 316.365 -0.440 30 20 DBED CN(C)CCOCC(=O)N1CCC(OC2CN(CC#N)C2)CC1 1105730913 CBVWVMFDFDRAPF-UHFFFAOYSA-N 324.425 -0.220 30 20 DBED N#Cc1nc(=NC[C@H](O)CNC(=O)c2cc(Cl)no2)cc[nH]1 1105818226 HEYGZHLMSFVETL-ZETCQYMHSA-N 322.712 -0.386 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)C[C@@H]2CCC(=O)N2)nc1 1105894484 POFKSKNHXGBWOZ-RYUDHWBXSA-N 317.349 -0.489 30 20 DBED Cc1nc(C)c(C(=O)NC[C@H](O)CNc2cncc(C#N)n2)[nH]1 1106109947 BHPMGHQFJFDSMK-LLVKDONJSA-N 315.337 -0.109 30 20 DBED N#Cc1cnc(NC[C@@H](O)CNC(=O)[C@H]2C[C@H]2C(N)=O)c(F)c1 1106120192 WTUWLFYXGKCVGB-BBBLOLIVSA-N 321.312 -0.897 30 20 DBED N#Cc1nc(=NC[C@H](O)CNC(=O)[C@@H]2C[C@H]2C2CC2)cc[nH]1 1106149004 USKNCRHSMRDSKR-SDDRHHMPSA-N 301.350 -0.295 30 20 DBED Cc1cc(C#N)nc(NCC[C@@H](C)NC(=O)c2nnn(C)n2)n1 1106523207 HZMLYLQDVLRVHP-MRVPVSSYSA-N 315.341 -0.199 30 20 DBED N#Cc1cnc(NC/C=C\CNC(=O)C2CS(=O)(=O)C2)cn1 1107358870 OOMPKVAQKXDOOS-UPHRSURJSA-N 321.362 -0.523 30 20 DBED N#Cc1nc(=NC/C=C/CNC(=O)[C@@H]2CC[C@@H]2C(N)=O)cc[nH]1 1107451291 KKZUYTPEJLMVIW-ATOIVCMTSA-N 314.349 -0.634 30 20 DBED C[C@H](CNc1cnc(C#N)cn1)NC(=O)CN1CCCC1=O 1107636115 ARZUETOMDROODP-SNVBAGLBSA-N 302.338 -0.113 30 20 DBED CCNC(=O)CCC(=O)N[C@H](C)CN=c1cc[nH]c(C#N)n1 1107682312 NMFAJTMUHDJEDX-SNVBAGLBSA-N 304.354 -0.397 30 20 DBED CC(C)C#CC(=O)NC[C@@]1(C)CN([C@@H]2CCNC2=O)CCO1 1107927426 WNGFXOJAUQOGNE-CJNGLKHVSA-N 307.394 -0.259 30 20 DBED CC(=O)N1CC(C(=O)N[C@@H](C)CN=c2cc[nH]c(C#N)n2)C1 1108330055 DDAQUXNPJTVVJS-VIFPVBQESA-N 302.338 -0.835 30 20 DBED C[C@@H](CNc1ccc(C#N)nn1)NC(=O)c1ccc(=O)n(C)n1 1108377620 BMNKNLMAKXUOLQ-VIFPVBQESA-N 313.321 -0.328 30 20 DBED C[C@@H](CNc1cnc(C#N)cn1)NC(=O)[C@@]1(C)CCNC1=O 1108694177 GMZRSXNQVHFRRS-XPTSAGLGSA-N 302.338 -0.209 30 20 DBED C[C@@H](CN=c1cc[nH]cc1C#N)NC(=O)[C@]1(C)CCNC1=O 1108694581 XZBBXWKXUANPMQ-ZUZCIYMTSA-N 301.350 -0.182 30 20 DBED Cc1nc(CC(=O)N[C@@H](C)CN(C)c2cnc(C#N)cn2)n[nH]1 1108955411 LUMVXXGJVFXIPL-VIFPVBQESA-N 314.353 -0.042 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCNS(C)(=O)=O 1109088984 WDCXKMFRGWQOQK-WYUUTHIRSA-N 314.411 -0.583 30 20 DBED C=CCOCCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1nnn(C)n1 1109609675 HCDIOIGVELQIDW-WOPDTQHZSA-N 306.370 -0.252 30 20 DBED CC(=O)N[C@H](C)C(=O)N[C@]1(C)CCN(c2ccc(C#N)nn2)C1 1110716826 KIXYFAHHKRROAZ-MEBBXXQBSA-N 316.365 -0.042 30 20 DBED N#Cc1nc(=NCCN(CCO)C(=O)COCC2CC2)cc[nH]1 1111432695 YLPBUUMYLWPJEV-UHFFFAOYSA-N 319.365 -0.570 30 20 DBED CNC(=O)CC(=O)N[C@]12CCC[C@H]1CN(CC#CCOC)C2 1111722325 HXLMGPUKMLJHPW-BBRMVZONSA-N 307.394 -0.257 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)c2cnccn2)CC1 1112598664 WOTUXVBZEIAMBB-GFCCVEGCSA-N 301.350 -0.628 30 20 DBED C[C@@H](C#N)C(=O)NC1(CO)CCN(c2nccnc2C#N)CC1 1112657300 ZXFUQLXUOQTZSW-NSHDSACASA-N 314.349 -0.045 30 20 DBED CSCC(=O)NC[C@H]1CN(c2nc(C)cc(C#N)n2)C[C@H]1O 1112699889 KTOGBPAEYUDKMC-CMPLNLGQSA-N 321.406 -0.067 30 20 DBED CC(C)(C(=O)N1CCN(CC(=O)NCC#N)CC1)N1CCCC1 1113183832 ZQHNIWGKEXYQET-UHFFFAOYSA-N 321.425 -0.355 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 1113365317 FCLYJPJDBAIBBI-UPJWGTAASA-N 306.366 -0.662 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CN(c2cnc(C#N)cn2)CC[C@@H]1C 1114012291 ZPVGFMUPHBQAHS-CMPLNLGQSA-N 316.365 -0.185 30 20 DBED C#CCOCCC(=O)NC1[C@H]2CN(Cc3nc(C)no3)C[C@H]12 1114265708 HNTQDILIPHAZNO-RYUDHWBXSA-N 304.350 -0.036 30 20 DBED C#CCCN1C[C@H]2[C@H](NC(=O)CNC(=O)N3CCCC3)[C@H]2C1 1114266904 ZSXRQBZNJUWARP-NHAGDIPZSA-N 304.394 -0.139 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)C[C@H]3CCN(C)C3=O)[C@H]2C1 1114445169 LILJSJIRQFYKLS-NYTXWWLZSA-N 319.405 -0.449 30 20 DBED C#CCCN1C[C@@H]2C(NC(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)[C@H]2C1 1114592842 MDRCYDZGPWLHQM-RFGFWPKPSA-N 319.405 -0.131 30 20 DBED Cc1cc(=NC[C@H]2C[C@H](NC(=O)CNC(N)=O)C2)c(C#N)c[nH]1 1114736099 YLCHBDBEZRYYHF-UMSPYCQHSA-N 316.365 -0.341 30 20 DBED CC#CCN1C[C@H]2[C@H](NC(=O)C(=O)NCC(F)(F)F)[C@H]2C1 1115026064 RZHZNKNUDHHEHS-MYJAWHEDSA-N 303.284 -0.265 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)c3[nH]cnc3C)[C@@H]2C1 1115356535 LPFDXEKPVFSIHR-QJPTWQEYSA-N 315.377 -0.484 30 20 DBED C=CC[C@@H](CC)NC(=O)C(=O)N1CCO[C@H](CNC(C)=O)C1 1117348464 JAKZWWGSTGLCHM-CHWSQXEVSA-N 311.382 -0.179 30 20 DBED N#Cc1nc(=N[C@@H](CO)CNC(=O)[C@H]2CCCOCC2)cc[nH]1 1121498656 XNBHVQICROBAER-NWDGAFQWSA-N 319.365 -0.524 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)CN2CCCC2)cn1 1121580343 JJOLTRDNZWVNSK-AWEZNQCLSA-N 303.366 -0.062 30 20 DBED Cn1c(C(=O)NC[C@@H](CO)Nc2ccc(C#N)cn2)cnc1O 1122303336 KTAZJDTXRQNDLH-JTQLQIEISA-N 316.321 -0.405 30 20 DBED Cc1nnccc1C(=O)NC[C@@H](CO)Nc1nccnc1C#N 1122850460 NFAUXRHRJQBVMI-JTQLQIEISA-N 313.321 -0.351 30 20 DBED C[C@H]1[C@H](N=c2cc[nH]c(C#N)n2)CCN1C(=O)CC(=O)N(C)C 1123107308 AQPPNNCNXDZOQV-WDEREUQCSA-N 316.365 -0.350 30 20 DBED C[C@@H]1C[C@H](Nc2ccc(C#N)nn2)CN1C(=O)CNC(N)=O 1123146179 IYIVDPPADOFNLH-SCZZXKLOSA-N 303.326 -0.582 30 20 DBED N#Cc1nc(=NC[C@@H]2CC[C@@H](NC(=O)CC(N)=O)C2)cc[nH]1 1123750639 DFDPKOPXPONADN-NXEZZACHSA-N 302.338 -0.658 30 20 DBED CN1CC[C@H](C(=O)N(C)C[C@@H](O)CN=c2cc[nH]cc2C#N)C1 1124352365 MPGFCUSCEZTFRE-JSGCOSHPSA-N 317.393 -0.442 30 20 DBED C#CCCCC(=O)N1C[C@H](n2ccnn2)[C@H](NC[C@@H](C)O)C1 1129834163 NUKZXNFKHSKPIG-MCIONIFRSA-N 305.382 -0.196 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@H]1CCc2cnc(C)n2C1 1133004938 PPNIUOCNQYLMIM-ZDUSSCGKSA-N 317.393 -0.791 30 20 DBED C[C@@H](C[C@@H](C)NCCN1C(=O)CNC1=O)NC(=O)C#CC1CC1 1134323124 YQNXAGVHUSXCFX-NEPJUHHUSA-N 320.393 -0.176 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1ccnc(C2CC2)n1 1134622145 DCBBMLAVUGMKRA-UHFFFAOYSA-N 302.338 -0.687 30 20 DBED COCC#CCN[C@@H](C)C[C@@H](C)NC(=O)C(=O)NCC(F)F 1134819957 FZQYIBUUPDVLDW-WDEREUQCSA-N 319.352 -0.110 30 20 DBED C=CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)c1cnn(C)n1 1135682331 HDQHZPVLPRLAHU-WDEREUQCSA-N 308.386 -0.396 30 20 DBED CC[C@@H](C(=O)N1CC2(CCN(CC(=O)NCC#N)C2)C1)N(C)C 1148292702 QNMKOIBJQQERJI-ZDUSSCGKSA-N 321.425 -0.499 30 20 DBED C#Cc1ccc(C(=O)NCCNCc2nnnn2C2CC2)nc1 1148370383 VJABZVLSNVMLQY-UHFFFAOYSA-N 311.349 -0.096 30 20 DBED C#CCNC(=O)CNCCNC(=O)CCCCN1CCCC1 1153314119 GCVBSROHVOXCDD-UHFFFAOYSA-N 308.426 -0.292 30 20 DBED C=CCNC(=O)NC(=O)CNCCCNC(=O)CCOCC 1155643866 KNPYRPVCJKHJAH-UHFFFAOYSA-N 314.386 -0.479 30 20 DBED C=CCN(C)C[C@H]1CCCCN1C(=O)Cn1cnc(C(N)=O)n1 1157973436 CCJAXLBURZFOOE-GFCCVEGCSA-N 320.397 -0.124 30 20 DBED N#CCN1CC=C(CCNC(=O)C[C@@H]2CC(=O)NC2=O)CC1 1162017052 UDFZOPSDAFKFTD-GFCCVEGCSA-N 304.350 -0.299 30 20 DBED N#CCNC(=O)CNCC1(CCNC(=O)CC2(O)CCC2)CC1 1164468766 UNXPULYKEVPROP-UHFFFAOYSA-N 322.409 -0.193 30 20 DBED Cc1c[nH]c(C(=O)NCCC2(CNCC(=O)NCC#N)CC2)n1 1167422749 ZZRKQJSWYSOQEY-UHFFFAOYSA-N 318.381 -0.152 30 20 DBED CCC1(C(=O)NCCCNCC(=O)NCC#N)CCOCC1 1169488878 HLJBNVHZHXSRMU-UHFFFAOYSA-N 310.398 -0.071 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@@H]1CCc2c[nH]nc2C1 1176618463 WGIMZJNLAOUVIG-GFCCVEGCSA-N 317.393 -0.640 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)NCCCNC[C@H](C)O 1176966882 PGKKIQFFALHSFJ-NSHDSACASA-N 300.403 -0.273 30 20 DBED Cn1cnn(CC(=O)N2C[C@H]3CC[C@H]2[C@H](CNCC#N)C3)c1=O 1177814652 MFSPBRLLYLVJTP-AVGNSLFASA-N 318.381 -0.678 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2cnc(C)cn2)C1 1180756285 FEHRSXUZEOBIDX-QWHCGFSZSA-N 315.377 -0.273 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)c2cnc3n2CCC3)C1 1183353938 HSEWFBIDGNNCAD-GFCCVEGCSA-N 317.393 -0.064 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 1185455781 RRUJGYDPXSLINI-RBSFLKMASA-N 322.453 -0.099 30 20 DBED C[C@H]1CCN(CC(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)C1 1185669200 QOWFZQWOBOVZDL-QWHCGFSZSA-N 307.398 -0.842 30 20 DBED CC(C)(C)NS(=O)(=O)CC(=O)N1CC[C@@H](NCC#N)C1 1187915266 IVBIOLZBCRPLBL-SNVBAGLBSA-N 302.400 -0.582 30 20 DBED COCC#CCN(C)[C@H]1CCN(C(=O)CCn2ccnn2)C1 1189836622 JRHJGTMEDVYVJA-AWEZNQCLSA-N 305.382 -0.149 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)Cc2cc(C)on2)C1 1191865265 UQHQMEDUBXZIEL-ZIAGYGMSSA-N 309.366 -0.111 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)[C@H](COC)OC)C1 1192267498 JGXBWXMJDALPRP-OLZOCXBDSA-N 313.398 -0.517 30 20 DBED COCc1noc(CN2C[C@@H](O)[C@H](NC(=O)C#CC3CC3)C2)n1 1192770748 QIVIFFHCRHRRLA-VXGBXAGGSA-N 320.349 -0.709 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)Cc2ccc[nH]2)C1 1194162444 DOJDITOCVHGMPL-AWEZNQCLSA-N 302.378 -0.161 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1194825480 VTIKDMNTWWYKEW-ZAJFYCSQSA-N 320.389 -0.779 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1CN([C@H]2CCN(CC)C2=O)C[C@H]1O 1195312597 SBYKYUCHPCYCNL-FRRDWIJNSA-N 309.410 -0.019 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)C[C@@H]2CCC(=O)N2)CC1 1197410387 FFANTOMKACFJDD-ZDUSSCGKSA-N 322.409 -0.508 30 20 DBED C=C(C)CNC[C@@H]1CN(C(=O)CS(C)(=O)=O)CCCO1 1199998681 LKARBUFMBJDNPA-GFCCVEGCSA-N 304.412 -0.186 30 20 DBED C=CCOCC(=O)N1CCCO[C@H](CNCC(=O)NCC)C1 1200109001 MSFNLABUYYGRCW-CYBMUJFWSA-N 313.398 -0.468 30 20 DBED N#CCNC(=O)CNC1CCN(C(=O)CCc2cnc[nH]2)CC1 1200943026 OVZAVRKQSYHEHE-UHFFFAOYSA-N 318.381 -0.437 30 20 DBED C#CCCN[C@@H]1C[C@H](NC(=O)CN2CCOCC2=O)C12CCC2 1203030473 ZBYMHMOLZBEOIW-KGLIPLIRSA-N 319.405 -0.115 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)[C@H](C)NC(C)=O)CC1 1204394563 YLWSIWKBDKZRAQ-LBPRGKRZSA-N 322.409 -0.911 30 20 DBED C#CCNCC1CCN(C(=O)[C@H]2CC(=O)N(CCOC)C2)CC1 1205413448 LICXRTMPVBZMBF-HNNXBMFYSA-N 321.421 -0.057 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCCN(C(=O)CSCC#N)C1 1207431474 QVPBTROGCCOTBR-STQMWFEESA-N 322.434 -0.038 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)[C@H](C2CC2)N(C)C)[C@H](C)C1 1207550955 OQZAJEUOXZEPGE-XPKDYRNWSA-N 320.437 -0.488 30 20 DBED CCOCCNC(=O)CN[C@@H]1CCCN(C(=O)[C@H](C)C#N)C1 1207689187 WQCDOWZUBRNHKO-CHWSQXEVSA-N 310.398 -0.121 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@@H](NCc2cn(C)nn2)[C@H](C)C1 1214604447 BXGBRRLEQFQVSB-YRGRVCCFSA-N 305.382 -0.210 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2cccnc2)C1 1219101125 AKIYTGZTTPRPEI-OLZOCXBDSA-N 304.350 -0.841 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2snnc2C)C[C@@H]1O 1219605122 JRJNMJWOLBUEOP-TUAOUCFPSA-N 324.406 -0.454 30 20 DBED CCCN1CCC[C@@H]1C(=O)N[C@@H]1CN(CC#CCOC)C[C@@H]1O 1219746335 ONIVDZWQVYEPAS-OAGGEKHMSA-N 323.437 -0.328 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)C2(CC)CCC2)C1 1220194347 MCHQXZYNACUVOX-MJBXVCDLSA-N 321.421 -0.134 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCC[C@H](NCC(=O)NCC#N)C1 1222067767 MMFFRYYTWGTATC-STQMWFEESA-N 308.382 -0.202 30 20 DBED C=C[C@@](C)(O)CC(=O)N(C)C[C@@H]1CCN1CC(=O)NC(N)=O 1233977223 MKHZCZQNCJYOLY-IINYFYTJSA-N 312.370 -0.959 30 20 DBED C=CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)c1cnnn1CC 1234099087 IQUKEDQJUXGTTF-GFCCVEGCSA-N 320.397 -0.254 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@@H](NC(=O)c2cn(CC)nn2)C1 1267750803 IKEGKMFXZMRHOQ-NWDGAFQWSA-N 318.381 -0.760 30 20 DBED Cn1ncc2c(=O)n(CC(=O)N[C@@](C)(C#N)C3CC3)nnc21 1319030786 YNAGYXKGVNHVQN-ZDUSSCGKSA-N 301.310 -0.667 30 20 DBED CCOC(=O)CNC(=O)C1CCN(CC(=O)NCC#N)CC1 1319397115 HPRXTMZXXVOWGT-UHFFFAOYSA-N 310.354 -0.983 30 20 DBED C=C(C)COCCNC(=O)C(=O)N[C@H]1CCC[C@@H]1C(=O)NC 1323587246 TUNWBQVTBSZRHQ-RYUDHWBXSA-N 311.382 -0.274 30 20 DBED Cc1[nH]c2ccnn2c(=O)c1CC(=O)N[C@H]1CCCN(O)C1=O 1326396022 BZFYGAGLKVSXPC-JTQLQIEISA-N 319.321 -0.630 30 20 DBED CCNC(=O)C(C)(C)CNC(=O)C(=O)N1CCO[C@H](C#N)C1 1327167269 PXIUJERWLRZKIP-SNVBAGLBSA-N 310.354 -0.984 30 20 DBED C=CCn1cc(CNC(=O)CCCN2C(=O)CN(C)C2=O)nn1 1327995633 APHDDUINUFVQPP-UHFFFAOYSA-N 320.353 -0.246 30 20 DBED C#CC1CCN(C(=O)C(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)CC1 1328315295 GWJJVFGIAXBLLK-NEPJUHHUSA-N 307.350 -0.993 30 20 DBED C=CCCN(C)C(=O)C(=O)Nc1ccc(=O)n(CC(N)=O)c1 1329660772 WUHLWRWTCHQACU-UHFFFAOYSA-N 306.322 -0.693 30 20 DBED C#CCOCCNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 1329999971 DROFWHBSJWTRBI-KGLIPLIRSA-N 307.394 -0.115 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)c2cncnc2C)CC1 1332507903 PRAJGVHYDCGSHR-UHFFFAOYSA-N 323.378 -0.990 30 20 DBED C=CCCSCCNC(=O)C(=O)NCCNS(C)(=O)=O 1333965808 LBOJRHFFPLWYEA-UHFFFAOYSA-N 323.440 -0.923 30 20 DBED C=CCCC[C@@H](N)C(=O)NCCC(=O)N1CCN(C(C)=O)CC1 1341543207 BFNWYBVHCZKZTF-CQSZACIVSA-N 324.425 -0.133 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CC[C@@](O)(CC)C1 1343311305 JQNCDAISNFIQOE-ZDUSSCGKSA-N 318.395 -0.923 30 20 DBED N#Cc1cccc(NC(=O)C(=O)N2CCC3(C2)OCCO3)n1 1345811381 HNPAOUUBSVPKFA-UHFFFAOYSA-N 302.290 -0.133 30 20 DBED COC[C@@H](NC(=O)Cn1cc(C#N)c(O)nc1=O)[C@@H]1CCCO1 1363093964 WCBQHYKNWWGLAV-MNOVXSKESA-N 322.321 -0.869 30 20 DBED CS(=O)(=O)CCCS(=O)(=O)NCC1(C#N)CCOCC1 1364160484 NHVZDVBBGBNERD-UHFFFAOYSA-N 324.424 -0.339 30 20 DBED N#CCC1(CS(=O)(=O)N[C@@H](CO)CN2CCOCC2)CC1 1364922839 JNGZPBZJTXCBKP-GFCCVEGCSA-N 317.411 -0.707 30 20 DBED C=C(Cl)CN1CC[C@@](O)(CNC(=O)CCNC(N)=O)C1 1368287796 PUKCBSIHXKYJEW-GFCCVEGCSA-N 304.778 -0.650 30 20 DBED CCN(CCC#N)C(=O)CNC[C@H](C)NC(=O)c1[nH]nnc1C 1379536060 OJJYMYKPTFMFRG-JTQLQIEISA-N 321.385 -0.417 30 20 DBED C=C(Cl)CNC[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)CCO1 1380909161 HZYBJRKQNKMHTG-MNOVXSKESA-N 301.774 -0.166 30 20 DBED CC(=O)N(C)CC(=O)N[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 1385596349 DURCSVDMGQHIFD-LBPRGKRZSA-N 317.349 -0.305 30 20 DBED CNC(=O)CCCC(=O)NC[C@]1(O)CCN(C(=O)[C@@H](C)C#N)C1 1390429756 TVUPNVCLJZRBNU-XHDPSFHLSA-N 324.381 -0.858 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)c2cn(C)c(=O)n2C)CC1 1393817414 LJKXZMNJXOBGSM-VIFPVBQESA-N 305.338 -0.738 30 20 DBED C[C@H](C#N)C(=O)NCCN(C(=O)c1nccnc1N)C1CC1 1398364055 HQDIFDWIOOLPHA-SECBINFHSA-N 302.338 -0.061 30 20 DBED CC(C)[C@H](CN(C)C)NC(=O)CCn1cc(C#N)c(O)nc1=O 1412299429 PXQJMCYYRSSPOH-LBPRGKRZSA-N 321.381 -0.087 30 20 DBED Cc1ccc(CC(=O)NCCn2cc(C#N)c(O)nc2=O)cn1 1412376256 VAECQXCTVAVKFJ-UHFFFAOYSA-N 313.317 -0.117 30 20 DBED Cn1nccc1[C@@H]1CN(C(=O)Cn2cnc(C#N)n2)CCO1 1413713789 KVJJNGHJVDXCDK-NSHDSACASA-N 301.310 -0.517 30 20 DBED COC(=O)C1(O)CCN(S(=O)(=O)CC(C)(C)C#N)CC1 1414232613 MZSYSTLVDFKWOL-UHFFFAOYSA-N 304.368 -0.134 30 20 DBED COCCn1cc(C(=O)N[C@H](C)CNC(=O)[C@H](C)C#N)nn1 1415260386 WMWVFZXSBADXHM-NXEZZACHSA-N 308.342 -0.681 30 20 DBED Cc1cc(C(=O)N(C)C[C@@H](O)CNC(=O)[C@@H](C)C#N)n(C)n1 1425772878 PMALJLMVLFIYIU-ONGXEEELSA-N 307.354 -0.563 30 20 DBED CO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1NC(=O)CCn1cccn1 1426635703 MUQMHQMNPUBRIM-YNEHKIRRSA-N 319.365 -0.225 30 20 DBED CCO[C@H](C)C(=O)N1CCN(CCNC(=O)[C@H](C)C#N)CC1 1427704669 SZKWJWSYUGUGSD-CHWSQXEVSA-N 310.398 -0.169 30 20 DBED C[C@H](C#N)C(=O)NC1CN(C(=O)CNC(=O)N2CCCC2)C1 1432340619 OFBMEYNNVKDVAL-SNVBAGLBSA-N 307.354 -0.722 30 20 DBED C[C@H](C#N)C(=O)N(C)CCN(C)C(=O)CCS(C)(=O)=O 1433182888 YFSHZLRMUIHODC-SNVBAGLBSA-N 303.384 -0.502 30 20 DBED CC(C)CS(=O)(=O)CC(=O)NC1CN(C(=O)[C@H](C)C#N)C1 1450402550 XADSITFTZWARBN-SNVBAGLBSA-N 315.395 -0.456 30 20 DBED CCN(CCNC(=O)[C@@H](C)C#N)C(=O)COCc1nncn1C 1455660777 XKBKRVMUNJISLQ-NSHDSACASA-N 322.369 -0.544 30 20 DBED C[C@H](CN(C)C(=O)c1ccc(=O)n(C)n1)NC(=O)[C@H](C)C#N 1487912418 JDNKYPLRRVFXSQ-NXEZZACHSA-N 305.338 -0.483 30 20 DBED C=CCOCc1nnc(N2CCNC(=O)C2)n1C[C@@H]1CCOC1 1515986276 RDNQRELGZNPPTI-LBPRGKRZSA-N 321.381 -0.047 30 20 DBED CC[C@H](CNC(=O)CCNS(C)(=O)=O)NC(=O)[C@@H](C)C#N 1531245813 ATHVVAOSWNBXBY-VHSXEESVSA-N 318.399 -0.904 30 20 DBED CNC(=O)NCC(=O)N1CCC(CCNC(=O)[C@@H](C)C#N)CC1 1531837876 OZEBCLNGWHDQQU-NSHDSACASA-N 323.397 -0.180 30 20 DBED C#C[C@@H]1CCCN(C(=O)C(=O)NCC2(C(=O)O)CCOCC2)C1 1588386624 SXOBTSQWZTYVLV-GFCCVEGCSA-N 322.361 -0.144 30 20 DBED C#CCN(CC(=O)O)C(=O)c1cc(S(N)(=O)=O)ccc1F 1588416034 FUKZVCUZTVQVGW-UHFFFAOYSA-N 314.294 -0.367 30 20 DBED C#CCN(CC(=O)O)c1nnnn1C[C@H]1CCOC[C@H]1OC 1588427178 PQMHIRSQYKHTOJ-GHMZBOCLSA-N 309.326 -0.751 30 20 DBED C#CCNC(=O)CCN1C[C@H](C(=O)O)C2(CC(C(=O)OC)C2)C1 1588430775 OKEQOGYPZOMWTJ-BWBHSNQOSA-N 322.361 -0.288 30 20 DBED C=C(C)COCCn1nnnc1N1CC[C@@](OC)(C(=O)O)C1 1588573696 SRXFAGCSPLLGFB-ZDUSSCGKSA-N 311.342 -0.054 30 20 DBED C[C@H]1CCN(CC(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[nH]2)C1 1590272484 SJXLTVGYIXHEHG-ZETCQYMHSA-N 301.314 -0.258 30 20 DBED C#CCC1(NC(=O)CN2CCC[C@@H](C(=O)O)C2=O)CCOCC1 1602698478 IIVZVTBNAOLKEY-GFCCVEGCSA-N 322.361 -0.002 30 20 DBED C#CCC[C@H](O)CNC(=O)Nc1nn(C)cc1-c1nn[nH]n1 1602702258 DMNIXLUNPHNKNO-QMMMGPOBSA-N 304.314 -0.504 30 20 DBED C#CCN(C)c1nnc(Cn2cnc(-c3nn[nH]n3)n2)n1CC 1602719830 IETPATARLUNSPH-UHFFFAOYSA-N 313.329 -0.813 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](CO)Nc1ccc(-c2nn[nH]n2)cn1 1602983961 PYLAPMBFULMOIJ-WCBMZHEXSA-N 316.325 -0.690 30 20 DBED COC(=O)[C@H](CNC(=O)[C@@](C)(C#N)CC(=O)O)[C@H]1CCOC1 1604268087 RAZPXYOXIVNJAN-IMSIIYSGSA-N 312.322 -0.067 30 20 DBED COC(=O)[C@]1(C)CCN(c2cnc(-c3nn[nH]n3)c(C#N)n2)C1 1604915862 VQEASQSHGZIIRG-CYBMUJFWSA-N 314.309 -0.082 30 20 DBED N#Cc1cn(CC(=O)O)c(=O)n(CCOCC(F)F)c1=O 1605622895 IEORWCBPMZZELP-UHFFFAOYSA-N 303.221 -0.752 30 20 DBED C[C@@H](CC#N)N(C)C(=O)C(=O)Nc1ccc(-c2nn[nH]n2)cn1 1609108425 NRZZQRREQSUAJT-QMMMGPOBSA-N 314.309 -0.039 30 20 DBED Cn1ncc(C#N)c1N1CCN(C(=O)N2CCOCC2)CC1 1647374768 WCLGAUJEKDZDAO-UHFFFAOYSA-N 304.354 -0.134 30 20 DBED CC(C)(C#N)C[C@H](O)CNCC(=O)NCCN1CCOCC1 1650156054 KJJPZCULISEYHD-ZDUSSCGKSA-N 312.414 -0.675 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)c2ncc(OC)cn2)C1 1690235356 LESXGEUFJNJESW-NSHDSACASA-N 319.365 -0.409 30 20 DBED C=CCOCCN1CCC[C@@H](NC(=O)c2nnc(O)nc2O)C1 1732090323 DFANFSRZCSXSCC-SNVBAGLBSA-N 323.353 -0.320 30 20 DBED CCN(CCCNC(=O)[C@H]1CCC(=O)N1C)CC(=O)NCC#N 1752205606 LCFQYWTVDWEVAQ-GFCCVEGCSA-N 323.397 -0.925 30 20 DBED C[C@@H]1CCN(CC(=O)N2CC[C@H](CNCC(=O)NCC#N)C2)C1 1752952344 WWMIQNXTUKLNTL-ZIAGYGMSSA-N 321.425 -0.594 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@@H]1CCN(C(=O)CN(C)CCC)C1 1752957979 IRQGZIGIHPRWJC-GJZGRUSLSA-N 322.453 -0.096 30 20 DBED C#CCNC(=O)CN1CC[C@@H](CNC(=O)CN2CC[C@H](C)C2)C1 1753136011 RLDTXZNVLCZKKQ-GJZGRUSLSA-N 320.437 -0.484 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CCN1C[C@H](O)Cn1cccn1 1754483885 QOPSPMGHEOKNBV-CABCVRRESA-N 302.378 -0.152 30 20 DBED CCn1nc(C(=O)NCC2(NCC#N)CCOCC2)ccc1=O 1754740508 CXKFLPRRVDMDLU-UHFFFAOYSA-N 319.365 -0.345 30 20 DBED C=CCOCCN1CC[C@@](O)(CNC(=O)Cn2ccnc2)C1 1754762548 SDBOUUPQKQTFFR-OAHLLOKOSA-N 308.382 -0.361 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@H]1COC2(C1)CN(CC#CCOC)C2 1755059185 OQJMUUJJVKIGEG-GDBMZVCRSA-N 322.405 -0.077 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)CCCC(=O)NC)CO2)C1 1755059606 SOTWDPOVJZUKLZ-ZDUSSCGKSA-N 307.394 -0.115 30 20 DBED CN(C(=O)[C@]1(C)CCOC1)[C@H](CNCC(=O)NCC#N)C1CC1 1755569324 UCZAKFHHIKMYRT-CZUORRHYSA-N 322.409 -0.121 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)[C@H](CNCc1nc(O)n[nH]1)C1CC1 1755571575 OJQVFLIFDQGGKL-CMPLNLGQSA-N 321.381 -0.125 30 20 DBED C=CCNC[C@H]1CC[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 1755742685 SYMFJJJTWJCJGL-RYUDHWBXSA-N 320.393 -0.242 30 20 DBED CC(C)Cn1[nH]c(CC(=O)N(C)C[C@@H](O)CNCC#N)cc1=O 1755783312 OUVDLZZIPPCPEE-ZDUSSCGKSA-N 323.397 -0.693 30 20 DBED C#CCN(C)C[C@H](O)CN(C)C(=O)Cn1ccc(C)cc1=O 1755804757 HWQPJAHHEQIUFO-AWEZNQCLSA-N 305.378 -0.459 30 20 DBED CC#CCCCC(=O)NCC1CC(NC(=O)[C@H]2CNC(=O)N2)C1 1755943013 SVDJDPZTSMRPOO-WXRRBKDZSA-N 320.393 -0.128 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(C(=O)c2cnn(C)c2N)[C@@H]1C 1756559742 DWUATAPSFXNGBU-ZYHUDNBSSA-N 321.381 -0.076 30 20 DBED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1C[C@@H]1F)CCO2 1783566214 RIKSJGIZHOMCSU-ZIBATOQPSA-N 324.308 -0.738 30 20 DBED N#CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cocn1)C2 1795077949 GBCRFVJDXLJYTR-DDFAGTSDSA-N 304.306 -0.209 30 20 DBED Cn1cncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC#N 1795078272 ZJVAPYSGAKOQBQ-GNXNZQSNSA-N 317.349 -0.463 30 20 DBED C=CCC(F)(F)C(=O)N1CCCC12CN(C(=O)C(O)O)C2 1846010555 NVKKEXQDXSRQSH-UHFFFAOYSA-N 304.293 -0.288 30 20 DBED O=C1CNC(/N=C(\O)c2cccc(S(=O)(=O)NC3CC3)c2)=N1 50222510 XWLJGXJNLIJBNN-UHFFFAOYSA-N 322.346 -0.082 30 20 DBED C[C@H](NC(=O)CN1CCO[C@@H](C#N)C1)C(=O)N1CCCCC1 246932884 AVFVPYIDSQAFGF-STQMWFEESA-N 308.382 -0.272 30 20 DBED N/C(=N/Cc1ccc(S(N)(=O)=O)cc1)NC[C@H]1CCCO1 261775119 NDUIESJCLSBHGR-LLVKDONJSA-N 312.395 -0.083 30 20 DBED CC#CCNC(=O)NCCS(=O)(=O)N1CCSCC1 270701239 IRHRWYIPJVHABW-UHFFFAOYSA-N 305.425 -0.313 30 20 DBED C#Cc1cccc(NC(=O)C(=O)N2CCO[C@@H](C(=O)NC)C2)c1 272738522 BXLSYSRLKSTGLE-CYBMUJFWSA-N 315.329 -0.420 30 20 DBED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCCN1C(=O)CNC1=O 280936918 IWWWJIRGZZCCNH-ZYHUDNBSSA-N 310.354 -0.181 30 20 DBED CN1CC[C@H]2CCN(C(=O)NCCn3cnc(C#N)n3)[C@H]2C1 287934215 SDXWCZSOKBYHSF-RYUDHWBXSA-N 303.370 -0.115 30 20 DBED C=CCCOCCNC(=O)C(=O)N(C)CCN1CCOCC1 289402110 NLBQDKMEQGZUSU-UHFFFAOYSA-N 313.398 -0.514 30 20 DBED C=C[C@H](CO)NC(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1 290729362 YLMGSPRISOPNBB-MFKMUULPSA-N 320.324 -0.091 30 20 DBED C=CCN(CC(=O)NCCCOC)CC(=O)NCCCOC 298432277 NRHDSUOJRNSXAL-UHFFFAOYSA-N 315.414 -0.220 30 20 DBED C[C@H]1[C@@H](/N=C(/O)[C@H]2CN3CCCN2CC3)CCS1(=O)=O 329238885 LNFZSCWREUUZJK-SDDRHHMPSA-N 301.412 -0.092 30 20 DBED CN(CCC#N)S(=O)(=O)N1CCO[C@@H](Cn2cccn2)C1 330700312 NICYVJSXQRTNCK-LBPRGKRZSA-N 313.383 -0.326 30 20 DBED CC(=O)NC[C@H]1CN(S(=O)(=O)CC2(C#N)CC2)CCO1 332033079 XQTSQJLFDFAPBW-NSHDSACASA-N 301.368 -0.543 30 20 DBED C=CCN1CC[C@@H](N2CC[C@H](S(=O)(=O)NCC)C2)C1=O 332373848 DMAVNDDYZVAIBX-NWDGAFQWSA-N 301.412 -0.213 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)NCc1cc(C(N)=O)no1 336905342 SXTNIKXLXITBLZ-MRVPVSSYSA-N 315.355 -0.411 30 20 DBED CCCCN(CCCO)S(=O)(=O)N1CCO[C@@H](C#N)C1 336951104 UJADTLLQWAGQMC-LBPRGKRZSA-N 305.400 -0.060 30 20 DBED COCCCN(C)CCNS(=O)(=O)N(C)C[C@H](C)C#N 337082811 ZYBKDRUHRFDPQV-GFCCVEGCSA-N 306.432 -0.119 30 20 DBED COCCOC[C@@H](C)NS(=O)(=O)N1CCO[C@@H](C#N)C1 337087323 FXMHZQZGAGWDFU-MNOVXSKESA-N 307.372 -0.903 30 20 DBED C[C@@H]1CN(C)CC[C@H]1N(C)S(=O)(=O)N1CCO[C@@H](C#N)C1 337103967 YHXIOWYNZVVFET-FRRDWIJNSA-N 316.427 -0.272 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@H](CO)[C@@H]1CCOC1 337166050 ZFEUOJYYUWWZMQ-JHJVBQTASA-N 319.427 -0.053 30 20 DBED COCCN1CCC[C@@H]1CNC(=O)C(=O)N1CCC(C#N)CC1 341541902 DVXFZEGZOFWZLW-CQSZACIVSA-N 322.409 -0.024 30 20 DBED COCCN1CC[C@@H](NC(=O)NCCn2cnc(C#N)n2)C1 345015598 HKKKZNBDGLYABJ-LLVKDONJSA-N 307.358 -0.830 30 20 DBED C[C@H](NC(=O)CNc1ccc(C#N)cn1)C(=O)N1CCOCC1 345425750 ITZIABNWMALQLZ-NSHDSACASA-N 317.349 -0.271 30 20 DBED C=CCNC(=O)CNC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccnn1C 345661738 WRFDPYGBDMVFML-HZMBPMFUSA-N 319.365 -0.642 30 20 DBED C=CCNC(=O)CNC(=O)c1ccc(S(=O)(=O)NC)o1 347894946 QFRZZHLGBNVYBU-UHFFFAOYSA-N 301.324 -0.780 30 20 DBED N#CCCNS(=O)(=O)CCCS(=O)(=O)Nc1ccon1 349594187 RWLHVADXGDNVER-UHFFFAOYSA-N 322.368 -0.361 30 20 DBED C=CCNC(=O)C(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 351967654 BMYGXRPQBFKCKC-UHFFFAOYSA-N 316.317 -0.021 30 20 DBED COC(=O)[C@H]1CNC(=O)CN1C(=O)Cc1c(F)cccc1C#N 355449853 BNGCFTUXVJLURI-GFCCVEGCSA-N 319.292 -0.260 30 20 DBED C=CCCC(=O)N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 376496729 YVJYHVKMWNJINC-NWDGAFQWSA-N 302.396 -0.433 30 20 DBED Cc1cc(N2CCN(CCS(N)(=O)=O)CC2)c(C#N)cn1 425225026 FNORVOTZIJEEIU-UHFFFAOYSA-N 309.395 -0.328 30 20 DBED COC[C@@](C)(C#N)NC(=O)CN(C)C(=O)[C@@H](C)n1cccn1 433958626 IBTXWRHASMBVIC-BXUZGUMPSA-N 307.354 -0.053 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2cccc(F)n2)CC1 491210712 XVEGNRLYNMVMES-UHFFFAOYSA-N 304.325 -0.272 30 20 DBED C#C[C@H](NC(=O)N1CCN(CC(=O)NCCOC)CC1)C(C)C 491819161 MVZJSABGPJLNQX-AWEZNQCLSA-N 324.425 -0.266 30 20 DBED N#CCC1(O)CN(C(=O)Cn2nnnc2-c2ccsc2)C1 517374453 HXFPPFQHJIILLS-UHFFFAOYSA-N 304.335 -0.111 30 20 DBED CNC(=O)NCC(=O)N1CCN(c2cnccc2C#N)CC1 561432806 NCTDLOLZLCEQPQ-UHFFFAOYSA-N 302.338 -0.469 30 20 DBED CN(C(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C1CC(N)C1 584114232 NMNMCHPSYQDYCT-UHFFFAOYSA-N 322.390 -0.215 30 20 DBED N#Cc1cc(Nc2ccn(CC(=O)N3CCOCC3)n2)ncn1 584507454 XDHGAARVXDQUBT-UHFFFAOYSA-N 313.321 0.147 30 20 DBED CC#CC[C@H](CO)NS(=O)(=O)c1cccnc1C(=O)OC 592113865 UBLWZCBEDQEUPX-SNVBAGLBSA-N 312.347 -0.079 30 20 DBED C[C@@H]1CCCN(c2c(C#N)c(=O)n(C)c(=O)n2C)[C@H]1CCO 596440765 GMKBQEMECVRHLN-PWSUYJOCSA-N 306.366 -0.057 30 20 DBED CCc1cc(NC(=O)C(=O)N2CCN(CCC#N)CC2)n(C)n1 602077595 FVXPQSVQSFHVHQ-UHFFFAOYSA-N 318.381 -0.021 30 20 DBED C[C@](C#N)(NC(=O)Cn1cc(CN2CCOCC2)nn1)C1CC1 603184441 VGEBHIDODLTAKD-OAHLLOKOSA-N 318.381 -0.081 30 20 DBED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N(C)CCOCCN 627290680 XQWZKGSPBGVHOT-CHWSQXEVSA-N 313.398 -0.483 30 20 DBED CC#CC[C@H](CO)NC(=O)N[C@@H](CC)C(=O)N1CCOCC1 645351994 IXGLACLUJNPIBH-OLZOCXBDSA-N 311.382 -0.303 30 20 DBED C=CC[C@H]1CCCN(C(=O)C(=O)N2CCO[C@H](C(N)=O)C2)C1 658523964 LZHDJEMSHXCXTM-RYUDHWBXSA-N 309.366 -0.486 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)C1(O)CCOCC1 744960182 LVDBULSRHPTWIZ-SECBINFHSA-N 300.311 -0.529 30 20 DBED Cc1nc(C#N)c(NN=Cc2c(N)n(C)c(=O)n(C)c2=O)o1 749815096 JKGOUCIECGWXDF-UHFFFAOYSA-N 303.282 -0.720 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)[C@H]1CCc2nnc(C)n2C1 750680053 UOFLXIQHMYALDN-JTQLQIEISA-N 321.337 -0.296 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N[C@@H]1CCC[C@H]1C(=O)NC 829183362 XLRPDDYPWZDQCN-CHWSQXEVSA-N 323.393 -0.484 30 20 DBED COCCCNC(=S)NN=C(C)c1cn(CC(=O)O)nn1 831696606 BVHZMNDVCVAXEI-UHFFFAOYSA-N 314.371 -0.413 30 20 DBED C#CCOc1cccc(NC(=O)C(=O)N2CCO[C@H](CN)C2)c1 841213888 RINHMYQOAMOSJK-CQSZACIVSA-N 317.345 -0.177 30 20 DBED C=C(C)CONC(=O)NCCC(=O)N1CCN(C(C)=O)CC1 845596187 QOGZTMNLSQHGON-UHFFFAOYSA-N 312.370 -0.126 30 20 DBED N#CC1(NC(=O)COC(=O)c2ccn3nnnc3c2)CCC1 850308239 VHXFUJMOGQKYAA-UHFFFAOYSA-N 300.278 -0.156 30 20 DBED C#CCN1CCN(C(=O)Cn2cnc(N)c(Cl)c2=O)CC1 853719471 OLWSFWSRHOHVLL-UHFFFAOYSA-N 309.757 -0.744 30 20 DBED C#C[C@H](CC)NC(=O)N1CCC(NS(=O)(=O)NC)CC1 854078151 ICWJMRKQSKGCBT-SNVBAGLBSA-N 302.400 -0.374 30 20 DBED COC[C@H](C#N)OC(=O)CN(C)S(=O)(=O)c1cccnc1 857064705 YWGGTDPXWGQGFI-JTQLQIEISA-N 313.335 -0.216 30 20 DBED C#CC[C@@H](CCOC)NC(=O)Nc1ncn(CC(=O)N(C)C)n1 860693835 KBGCZGUOEOJCLA-NSHDSACASA-N 322.369 -0.084 30 20 DBED N#Cc1cc(C(=O)N[C@H]2CCN(C(=O)C3(C(N)=O)CC3)C2)c[nH]1 937853818 UGAFDRYFFOSFDA-JTQLQIEISA-N 315.333 -0.517 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cn2cncn2)C1 938864527 TTWZNEJIQCPRMB-XQQFMLRXSA-N 319.365 -0.414 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)CN2CC(=O)NC2=O)[C@@H](C)C1 943673107 AXBBJDAQRYCMAC-NWDGAFQWSA-N 308.382 -0.059 30 20 DBED O=C1N[C@@H](C(=O)NCC2CCN(C(=O)C#CC3CC3)CC2)CO1 948924554 GGXQKJNHFQJJHI-CYBMUJFWSA-N 319.361 -0.137 30 20 DBED C=C(Cl)CN1CCN(C(=O)CN2CCN(C)C(=O)C2)CC1 948983446 CJRNCRITWMLAFH-UHFFFAOYSA-N 314.817 -0.343 30 20 DBED C=CC(C)(C)C(=O)N1CCC[C@@H](NC(=O)Cn2ncnn2)C1 951542944 IGJVFZOHDSWSHS-LLVKDONJSA-N 306.370 -0.008 30 20 DBED CN(C(=O)c1cnnn1C)C1CN(C(=O)c2c[nH]c(C#N)c2)C1 954184683 PBEJTAPOFRSFAT-UHFFFAOYSA-N 313.321 -0.389 30 20 DBED Cc1nc2c(C(=O)NC[C@H]3CN(CC#N)C[C@H]3O)ccnc2[nH]1 958273180 OUDYEMMCNKUOLF-CMPLNLGQSA-N 314.349 -0.188 30 20 DBED C=C(C)CCN1C[C@H]2[C@H](NC(=O)CN3CCN(C)C(=O)C3)[C@H]2C1 960661505 OYQIIPJZGXFFHA-HALDLXJZSA-N 320.437 -0.227 30 20 DBED C=CCn1cccc1C(=O)N1C[C@H]2CN(C(=O)C(N)=O)C[C@H]2C1 961786115 BMMRGNIFTKKWAT-TXEJJXNPSA-N 316.361 -0.310 30 20 DBED C#Cc1ccc(C(=O)N2C[C@H]3CN(C(=O)C(N)=O)C[C@H]3C2)cc1 962031553 WSLYETSWGBSNQA-OKILXGFUSA-N 311.341 -0.316 30 20 DBED C#CCN(C)[C@H]1CCN(C(=O)C2CC3(C2)NC(=O)NC3=O)C1 972534364 QPZMGOJGRFLUOG-VTWZXRTESA-N 304.350 -0.860 30 20 DBED C[C@@H](C(N)=O)N1C[C@H]2[C@H](CNC(=O)c3c[nH]c(C#N)c3)[C@H]2C1 978030542 VVHOHJAESRGQEA-ZBPZKIAKSA-N 301.350 -0.332 30 20 DBED C#CCN1C[C@@H]2C(CNC(=O)c3cn([C@H]4CCOC4)nn3)[C@H]2C1 978968655 LXGHVMDVIGRFKU-IACUBPJLSA-N 315.377 -0.220 30 20 DBED Cn1cc(C(=O)NC[C@@H]2CCN(C(=O)C#CC3CC3)C2)nn1 982743147 VYCXFLKRPCRFDC-LBPRGKRZSA-N 301.350 -0.193 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)C(N)=O)[C@H]2CC)nc1 985370694 XCUBFRFDJZHVIG-WCQYABFASA-N 314.345 -0.343 30 20 DBED C#CCN[C@@H]1CCN(C(=O)CN2CCCCS2(=O)=O)[C@@H]1C 986568930 ABHMEJFINCUWPP-CHWSQXEVSA-N 313.423 -0.376 30 20 DBED C#CCN1CC[C@@]2(NC(=O)Cn3ncn(C)c3=O)CCC[C@H]12 991467913 AJWUZCULBOFXKO-WFASDCNBSA-N 303.366 -0.672 30 20 DBED C=CCN1CC[C@H](N[C@H]2CCCN(C(=O)CC(N)=O)C2)C1=O 998782677 XLSQGGNFPAOJKK-RYUDHWBXSA-N 308.382 -0.771 30 20 DBED C=CCN1CC[C@@H](n2cc(CNC(=O)c3cnn(C)n3)nn2)C1 1000029417 NRRXDDNDVFZXBA-GFCCVEGCSA-N 316.369 -0.231 30 20 DBED C#CCN1CCC(C(=O)N2CCC[C@@H](NCC(N)=O)C2)CC1 1000994690 WKPHDMHJZUVVDB-CQSZACIVSA-N 306.410 -0.603 30 20 DBED CO[C@H]1C[C@H](C(=O)N[C@@H]2CCCN(CC#N)C2)N(C(C)=O)C1 1008060670 CZSSWRJIQXUXDL-HZSPNIEDSA-N 308.382 -0.274 30 20 DBED C[C@H](NC(=O)c1nc[nH]n1)[C@H]1CN(C(=O)C#CC2CC2)CCO1 1009697003 PIZLOPPCGDLUMS-CMPLNLGQSA-N 317.349 -0.436 30 20 DBED O=C(C#CC1CC1)N1CCN(C(=O)CO[C@H]2CCOC2)CC1 1011109775 YYLKNOUYUZJARY-AWEZNQCLSA-N 306.362 -0.124 30 20 DBED CCN1C[C@@H](C(=O)N2CCN(C(=O)[C@H](C)C#N)CC2)CC1=O 1011247927 CIVHEKUERPBYLG-NEPJUHHUSA-N 306.366 -0.315 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)C(N)=O)[C@@H]2C)nc1 1011938773 UGEZUFFPEJQLFB-GXSJLCMTSA-N 300.318 -0.733 30 20 DBED C=C[C@](C)(CC)C(=O)N1C[C@H]2C(NC(=O)Cn3ncnn3)[C@@H]2C1 1013151632 ZOJZELGQCPHWRZ-UEKVPHQBSA-N 318.381 -0.152 30 20 DBED COc1nccc(C(=O)NC2[C@@H]3CN(C(=O)[C@@H](C)C#N)C[C@@H]23)n1 1013494316 DADNRAUPGNCHBX-IVZWLZJFSA-N 315.333 -0.169 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2CCCN(C(=O)C(N)=O)[C@H]2C)c1 1015213247 LVLHXCRLGILSQC-GXFFZTMASA-N 314.345 -0.343 30 20 DBED C=CCCn1cc(C(=O)N[C@@H]2CCN([C@@H]3CCNC3=O)C2)nn1 1015821137 RGHTZGPVQQCWMZ-DGCLKSJQSA-N 318.381 -0.453 30 20 DBED N#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CCCN(C(N)=O)C1 1017718987 JNNGGAMYDDQZSC-RWMBFGLXSA-N 305.382 -0.024 30 20 DBED CC#CCN1CCC[C@H](CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 1023591265 VDZVUMCDHAJZQV-HZSPNIEDSA-N 307.394 -0.129 30 20 DBED CC#CCN1CCC[C@@H](CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 1023591266 VDZVUMCDHAJZQV-MELADBBJSA-N 307.394 -0.129 30 20 DBED C#CCN1CCCC[C@H]1CNC(=O)c1cnc(O)n(C)c1=O 1024593990 WQYGZJHQTGSSKK-NSHDSACASA-N 304.350 -0.297 30 20 DBED C[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1O 1025014525 WZBUKJUWKIYJFK-PIEOMLNGSA-N 302.334 -0.156 30 20 DBED C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2cn(CC(N)=O)nn2)C1 1025630474 UIKLJEBCGLBFHI-VXGBXAGGSA-N 318.381 -0.773 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc[nH]2)C[C@H]1O 1025709028 CFSYXKBYMLNWLF-ZRJCITRHSA-N 319.361 -0.093 30 20 DBED Cn1cc(C(=O)N2C[C@@H]3[C@@H](CC[C@H]3NCC#N)C2)ncc1=O 1026316729 HXDSQWAVLNIPDW-QJPTWQEYSA-N 301.350 -0.256 30 20 DBED N#Cc1cc(C(=O)N2CC[C@H](CN[C@@H]3CCNC3=O)C2)c[nH]1 1026794952 VMESLTOMCCBHTN-ZWNOBZJWSA-N 301.350 -0.173 30 20 DBED CCN1CC[C@@H](N2CC(NC(=O)c3cc(C#N)c[nH]3)C2)C1=O 1030196085 JVURGBCZTCKDKO-CYBMUJFWSA-N 301.350 -0.079 30 20 DBED C=CCN1CC[C@@H](N(CC)C(=O)[C@H]2CCS(=O)(=O)N2)C1 1034044071 JNYVBQIUASREBC-VXGBXAGGSA-N 301.412 -0.213 30 20 DBED C#Cc1cncc(C(=O)NC[C@@H]2CN(C[C@H](C)O)CCO2)c1 1035504178 CLIKRGLAOOOLAP-SWLSCSKDSA-N 303.362 -0.126 30 20 DBED C#CCCN1CCO[C@@H](CNC(=O)[C@@H]2CCCCC(=O)N2)C1 1035509759 DNTDKDYTQPGDLX-KBPBESRZSA-N 307.394 -0.115 30 20 DBED CC#CCN1CCO[C@H](CNC(=O)c2nc3ncccn3n2)C1 1035549185 IELBCBCTJUKIIJ-GFCCVEGCSA-N 314.349 -0.422 30 20 DBED Cn1cnn(CCC(=O)N2CC[C@H]3[C@H](CCN3CC#N)C2)c1=O 1036777632 FZYNSHWIDBRZQG-OLZOCXBDSA-N 318.381 -0.582 30 20 DBED N#Cc1ccc(F)c(CN2C[C@H]3C[C@H]2[C@@H]3NC(=O)C(N)=O)c1 1037564665 DKGJQGAAXAYLKX-KGYLQXTDSA-N 302.309 -0.128 30 20 DBED CC(C)C#CC(=O)NC[C@@]1(O)CCN(C(=O)c2cnnn2C)C1 1039664376 OZCPQQZNUCAQOF-HNNXBMFYSA-N 319.365 -0.832 30 20 DBED C#CCOCCC(=O)NC[C@]1(O)CCN(C(=O)[C@H]2CCOC2)C1 1039719637 YKNFQVYWHSZYQA-XJKSGUPXSA-N 324.377 -0.858 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H]1C[C@H]2CC[C@H]1N(C(=O)C(N)=O)C2 1040020291 HDWLFQBACRVMJD-JTNHKYCSSA-N 313.361 -0.101 30 20 DBED C=CCCC(=O)N1CC[C@@](O)(CNC(=O)C[C@H]2CCNC2=O)C1 1040063423 DDEGLOZRNZOZPG-MLGOLLRUSA-N 323.393 -0.442 30 20 DBED Cc1[nH]nc(C(=O)N2CC[C@@](O)(CNC(=O)[C@@H](C)C#N)C2)c1O 1040759969 FCSHGZPMLCWPRI-RMLUDKJBSA-N 321.337 -0.723 30 20 DBED C[C@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)COCC2CC2)C1 1040763612 QLEWPYYMQPVRFY-ABAIWWIYSA-N 309.366 -0.348 30 20 DBED C[C@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)c2csc(O)n2)C1 1040769988 OWGYHXQENVJWJU-AMIZOPFISA-N 324.362 -0.298 30 20 DBED C[C@@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)c2csc(O)n2)C1 1040769992 OWGYHXQENVJWJU-ISVAXAHUSA-N 324.362 -0.298 30 20 DBED N#Cc1cnccc1N1C[C@@H](O)[C@H](NC(=O)CN2CCCC2)C1 1041052817 GKRBVCXGTMCYCF-UKRRQHHQSA-N 315.377 -0.285 30 20 DBED C=C1CC(C)(C(=O)N2CC(O)(CNC(=O)[C@@H](C)NC(C)=O)C2)C1 1041337944 IARPANJRQWDVQA-LLVKDONJSA-N 323.393 -0.443 30 20 DBED N#Cc1ccc(N[C@H]2C[C@H](NC(=O)C(N)=O)C23CCC3)nn1 1041613603 WBPHVDMEZHCEKM-UWVGGRQHSA-N 300.322 -0.327 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)C1CN(Cc2cnnn2C)C1 1042959974 IQSRQTBURRHOSE-HNNXBMFYSA-N 316.409 -0.445 30 20 DBED COC1CC(C(=O)N[C@@H]2CN(c3ccc(C#N)nn3)C[C@@H]2O)C1 1044266844 FAAZRRWQDXODJH-BVIDSFGJSA-N 317.349 -0.561 30 20 DBED C=C[C@](C)(CC)C(=O)N1CC(O)(CNC(=O)[C@H]2CCNC2=O)C1 1044451142 DNBUDKULBZNJCM-XHDPSFHLSA-N 323.393 -0.586 30 20 DBED C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1044547598 PEGPMXZDAOKOLE-PUHVVEEASA-N 317.349 -0.561 30 20 DBED C=C(C)CN[C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)[C@@H](C)C1 1044606354 GKZZVMSRQIUPGR-NWDGAFQWSA-N 320.397 -0.078 30 20 DBED C=CCN[C@H]1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)[C@H](C)C1 1044763074 KOLLKTFSNYYXBZ-NEPJUHHUSA-N 320.393 -0.147 30 20 DBED C=C(C)C[C@H](C)C(=O)NCC1(O)CN(C(=O)c2cnnn2C)C1 1045055301 PLRGWVPFTXUAKS-NSHDSACASA-N 321.381 -0.280 30 20 DBED CCc1cc(C(=O)NCC2(O)CN(C(=O)[C@@H](C)C#N)C2)n(C)n1 1045258855 IOCSCBJDBHTAFU-JTQLQIEISA-N 319.365 -0.555 30 20 DBED CCOC1CC(C(=O)N2CC(O)(CNC(=O)[C@@H](C)C#N)C2)C1 1045541637 ZQZLJPGPWOZGLZ-UNXYVOJBSA-N 309.366 -0.349 30 20 DBED C=CCOCCCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(N)=O)C2 1047444817 WMAXXTBOOAFKLA-XQQFMLRXSA-N 323.393 -0.050 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)Cc2ccc(O)nc2)C1 1047461010 RXPZRGNFSHPQTF-KBPBESRZSA-N 303.362 -0.144 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2cn(CC=C)nn2)C1 1047554186 NQMAQWQZDVHZER-KBPBESRZSA-N 303.366 -0.396 30 20 DBED C=C[C@](C)(O)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2ncc[nH]2)C1 1048793829 JEGLXNRFAJMJEV-PGUXBMHVSA-N 322.365 -0.620 30 20 DBED C=CC(C)(C)C(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CCC(=O)N2)C[C@@H]1O 1049175945 FMVJDNSCALFEDC-SRVKXCTJSA-N 323.393 -0.493 30 20 DBED CC(C)N(C)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)C#N)C1 1049402532 UHOJCUHQHUCRCG-AGIUHOORSA-N 310.398 -0.484 30 20 DBED C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)CN1CC(=O)NC1=O 1049791469 VIUDBXVAWNWMHZ-RYUDHWBXSA-N 304.350 -0.763 30 20 DBED C#CCOCCC(=O)N1CC[C@H]([C@@H](C)NC(=O)CC(N)=O)C1 1050729224 PENBXKARIZSWLY-NEPJUHHUSA-N 309.366 -0.745 30 20 DBED Cc1nn(CC(=O)N2CC3(CCN(CC#N)CC3)C2)c(=O)n1C 1050745175 CCNUIZSQSOWVKL-UHFFFAOYSA-N 318.381 -0.662 30 20 DBED C=CCN1CCOC[C@@H]1CNC(=O)C1CCS(=O)(=O)CC1 1051143334 FOYOUTNVYSQGHZ-ZDUSSCGKSA-N 316.423 -0.186 30 20 DBED CC1(C)C[C@H](NC(=O)C(N)=O)CCN(c2ccc(C#N)nn2)C1 1051377095 OQRIWAFOLSTZPH-SNVBAGLBSA-N 316.365 -0.055 30 20 DBED C=CCN1CCN([C@@H]2CCN(C(=O)[C@H]3CC(=O)N(C)C3)C2)CC1 1052035434 IWNWYCGRWMGJFA-LSDHHAIUSA-N 320.437 -0.131 30 20 DBED Cn1c(C(=O)N2CC[C@@H](N3CCN(CC#N)CC3)C2)cnc1O 1052061312 WXAHVPBDLFAGFK-GFCCVEGCSA-N 318.381 -0.519 30 20 DBED C#CCN1CCN([C@H]2CCN(C(=O)CN3CCCC3)C2)CC1 1052118040 JMRBOMWNRMAJHM-INIZCTEOSA-N 304.438 -0.066 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC2(C1)CN([C@H]1CCCN(C)C1=O)C2 1053191406 QCGCZLSJAFSQQE-STQMWFEESA-N 320.393 -0.320 30 20 DBED C[C@@H](c1nncn1C)N1CC2(CN(C(=O)[C@H](C)C#N)CCO2)C1 1053192218 YKKASYGBOQCIJV-NEPJUHHUSA-N 318.381 -0.051 30 20 DBED C[C@@H](O)CN1CC2(C1)CN(C(=O)c1cc(C#N)c[nH]1)CCO2 1053210245 ZHPFYMLHHDQTKX-LLVKDONJSA-N 304.350 -0.206 30 20 DBED N#Cc1ccc(C(=O)NC[C@@H]2CCC3(CN(CC(N)=O)C3)O2)[nH]1 1053593869 XLIPLNXHTPEQTQ-NSHDSACASA-N 317.349 -0.665 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)c3cc4n(n3)CCC4)CO2)C1 1053825112 LYFYZFWYOMAHJV-LLVKDONJSA-N 301.350 -0.074 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)c3ccc4nnnn4c3)CO2)C1 1053870015 ZTBUMJOIOJJXDA-LBPRGKRZSA-N 312.333 -0.669 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)[C@H]3CCCC(=O)N3C)CO2)C1 1053997465 ORDLWRQTHRPPSC-QWHCGFSZSA-N 305.378 -0.410 30 20 DBED C[C@H]1CN(C(=O)Cn2nc3ccccn3c2=O)C[C@@H]1NCC#N 1054952292 RUOGAFYLKDJINS-RYUDHWBXSA-N 314.349 -0.544 30 20 DBED N#Cc1nccnc1N1CCN(C(=O)[C@H]2CCCNC2=O)CC1 1055928577 WEZAVSMWFRYQDT-NSHDSACASA-N 314.349 -0.477 30 20 DBED N#Cc1cncc(N2C[C@H]3C(NC(=O)Cc4cc[nH]n4)[C@@H]3C2)n1 1056164219 UQNRVFYTVDIKJB-VXGBXAGGSA-N 309.333 -0.135 30 20 DBED CNC(=O)CC(=O)N1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)C#N 1056541071 RRFYIIPMSJUNFQ-IJLUTSLNSA-N 306.366 -0.126 30 20 DBED N#Cc1cncc(N[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)C2)n1 1056764253 NMXMWLOTIWKCHA-SCZZXKLOSA-N 301.310 -0.958 30 20 DBED CC(C)[C@@H](O)C(=O)NCCN(CCO)C(=O)c1ccc(C#N)[nH]1 1057366728 DETOQQROPFKAJU-CYBMUJFWSA-N 322.365 -0.546 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)[C@@H](C)CC(N)=O 1057525358 PSAVMMBVRDKBBD-LBPRGKRZSA-N 311.382 -0.906 30 20 DBED C#CCOCCC(=O)N(CCO)CCNC(=O)c1cn[nH]c1 1057581147 MMGOJMMRBPKYPS-UHFFFAOYSA-N 308.338 -1.000 30 20 DBED N#Cc1nccc(N2CCC[C@@H](NC(=O)Cn3nccn3)C2)n1 1058199789 FRXWMTBKHIBTGB-LLVKDONJSA-N 312.337 -0.275 30 20 DBED Cn1nccc1CC(=O)N1CC[C@H](N=c2cc[nH]c(C#N)n2)C1 1058880248 MYDPOWTVASWWIA-NSHDSACASA-N 311.349 -0.241 30 20 DBED Cn1cc(C(=O)N[C@H]2C[C@@H](N=c3cc[nH]c(C#N)n3)C2)nc1O 1059807199 HCECWPBGNLXQBF-DTORHVGOSA-N 313.321 -0.418 30 20 DBED CCC(=O)NCC(=O)NC[C@@H]1COCCN1C(=O)C#CC(C)C 1061427587 CAPZIYRXBFPQOY-CYBMUJFWSA-N 323.393 -0.484 30 20 DBED C=CCC(CC=C)C(=O)N1CCOC[C@H]1CNC(=O)CC(N)=O 1061453155 ONHAQDJYTAWMJZ-CYBMUJFWSA-N 323.393 -0.026 30 20 DBED C=CCCC(=O)N1CCOC[C@@H]1CNC(=O)c1cnn(C)n1 1061704130 GQSKBGKXOGQHRK-NSHDSACASA-N 307.354 -0.262 30 20 DBED Cc1ccnn1CC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H](C)C#N 1061852522 JIJWZVHUFIVLNV-AAEUAGOBSA-N 319.365 -0.305 30 20 DBED C#CCOCCC(=O)NC1(CNC(=O)[C@H]2CCC(=O)N2)CCC1 1062707421 BOMMGBQWPMBTNW-GFCCVEGCSA-N 321.377 -0.540 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)[C@@H]2CCCN2C(N)=O)CCC1 1063523895 KUIQTNJFHUEANM-QWRGUYRKSA-N 321.381 -0.156 30 20 DBED C#CCO[C@H](C)C(=O)NC1(CNC(=O)[C@@H]2CCC(=O)N2)CCC1 1063837569 ZTKWIZVRSVHZNX-NEPJUHHUSA-N 321.377 -0.542 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)c2cc(=O)n(C)cn2)CCC1 1064311052 WFSRRRBTTAYQIC-SNVBAGLBSA-N 317.349 -0.291 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CN(C(=O)CN2CCCC2=O)CCO1 1064840375 KEESAPHIPDMHRV-NWDGAFQWSA-N 322.365 -0.888 30 20 DBED N#Cc1cncc(N2CC[C@H]3[C@@H]2CCCN3C(=O)C(N)=O)n1 1066182824 ISDGZOKIPVCLJN-QWRGUYRKSA-N 300.322 -0.597 30 20 DBED N#Cc1cncc(N2CCOC[C@H]2CNC(=O)c2cocn2)n1 1066469566 FAKFWZWBONPRBS-LLVKDONJSA-N 314.305 -0.029 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CCCN(C(=O)Cn2nccn2)CC1 1066479057 OZXXBWBNAWWIIN-VXGBXAGGSA-N 304.354 -0.065 30 20 DBED CC1(C)CN(c2ccnc(C#N)n2)CC[C@H]1NC(=O)C(N)=O 1067336213 HOMUNLUVXBDNSQ-SECBINFHSA-N 302.338 -0.445 30 20 DBED N#Cc1nccnc1N1C[C@H](O)[C@H](CNC(=O)c2ccc[nH]2)C1 1067657067 VXPVXTKBGYJLEM-MFKMUULPSA-N 312.333 -0.097 30 20 DBED C=CCOCC(=O)N1CCOC2(C1)CN(C(=O)COCC)C2 1068354832 CIKUNQZJMHJMTI-UHFFFAOYSA-N 312.366 -0.335 30 20 DBED C[C@@H](CC(N)=O)C(=O)N1CCOC2(C1)CN(C(=O)[C@H](C)C#N)C2 1068423767 UYKZGYPSRRQSFN-WDEREUQCSA-N 322.365 -0.903 30 20 DBED C=C[C@H](CC)CC(=O)NC[C@H]1CCC2(CN(C(=O)C(N)=O)C2)O1 1068609698 CNGJQTCVWPNTOW-VXGBXAGGSA-N 323.393 -0.050 30 20 DBED C=CCOCC(=O)N1CC2(C[C@@H](NC(=O)[C@@H]3CCCO3)CO2)C1 1068679841 RJSMOGVWSCSMLK-OLZOCXBDSA-N 324.377 -0.146 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@]2(C)CCC(=O)N2)C1 1070018511 KRNRVKFYPMYUPE-XUJVJEKNSA-N 318.381 -0.526 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)Cc2cncn2C)C1 1070076347 MJJTYFVCDJMKFT-KGLIPLIRSA-N 315.381 -0.218 30 20 DBED N#CCN1CCOC[C@@H]1c1n[nH]c(CNC(=O)c2cnco2)n1 1070587902 ITWVWBCTIKDJFQ-SECBINFHSA-N 317.309 -0.380 30 20 DBED C#CCCN1C[C@H]2C[C@H]3CN(C(=O)C(C)(C)C(N)=O)C[C@@]3(C1)O2 1070813223 KWPJIUWLFFWACJ-OGHNNQOOSA-N 319.405 -0.177 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCCN(C(=O)C(C)(C)C(N)=O)C1 1070875075 HCPQKTGVTLBAPU-GFCCVEGCSA-N 323.393 -0.355 30 20 DBED CC#CCN1CCNC(=O)CCN(C(=O)c2ccncn2)CC1 1071009148 CAWPTJZZSMHTJJ-UHFFFAOYSA-N 315.377 -0.236 30 20 DBED CC(C)(C)C#CC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CNC(=O)N2)C1 1071207488 DFVQHVJWNSJKBV-NEPJUHHUSA-N 320.393 -0.176 30 20 DBED C#CCN1CCN([C@H]2CCCN(C(=O)c3cnon3)C2)C(=O)C1 1071275671 MZIXEBFZWDZBET-LBPRGKRZSA-N 317.349 -0.548 30 20 DBED N#CCSCC(=O)N[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 1071348544 IAXXEUBQPARPOU-MXWKQRLJSA-N 324.406 -0.528 30 20 DBED C#CCN1C[C@@H](NC(=O)CN2CCN(C)C(=O)C2)CC[C@@H]1C 1071621679 BMNSGGYSOJBHGP-KBPBESRZSA-N 306.410 -0.637 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(C)(NC(=O)C(N)=O)CC1 1073060490 WRFSFWBXOKSCGW-RYUDHWBXSA-N 323.393 -0.050 30 20 DBED C=CCCOCC(=O)N[C@@H]1CCN(C(=O)C(N)=O)CC1(C)C 1073419237 PFKBRAMYRIDOHH-LLVKDONJSA-N 311.382 -0.192 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CCN(C(=O)C2CC2)C[C@@H]1C 1073890152 GBRISLDTURDXFX-AAEUAGOBSA-N 305.378 -0.111 30 20 DBED C=CCCN1CCO[C@H]2CCN(C(=O)Cn3cnnn3)C[C@@H]21 1074159760 JYUPXYDJBKMGJU-STQMWFEESA-N 306.370 -0.449 30 20 DBED C#CCN[C@H]1CCN(C(=O)[C@@H]2CCc3nnnn3CC2)[C@H]1C 1074901271 FKQFPHAIVVXUHM-XQQFMLRXSA-N 302.382 -0.162 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)Cc1ccoc1 1076218995 OSOGLVWEDMYIMM-LBPRGKRZSA-N 319.361 -0.027 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3nn[nH]c3C2)C1 1077999723 WYEYRBSMNSZVJR-LERXQTSPSA-N 303.366 -0.906 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)c2cccc3nnn(C)c23)C1 1078296907 XMPRWGSKJHCNSO-ZIAGYGMSSA-N 313.361 -0.234 30 20 DBED C#CCN[C@H]1C[C@H](NC(=O)Cn2ccc(O)nc2=O)C12CCC2 1078673524 ROPKQWRFIWFDNY-RYUDHWBXSA-N 316.361 -0.401 30 20 DBED C#CCN[C@H]1C[C@H]2CC[C@H]1N(C(=O)CN1CC(=O)N(C)C1=O)C2 1079087410 RZWSCRVURDCWLB-FRRDWIJNSA-N 318.377 -0.517 30 20 DBED C#CCCCCC(=O)N1CC(N(CC)C(=O)CNC(N)=O)C1 1079279978 UIDQIELGHYTDGQ-UHFFFAOYSA-N 308.382 -0.092 30 20 DBED C=CCC1(C(=O)N2CC(N(CC)C(=O)C(N)=O)C2)CCOCC1 1080401749 PADRAYRDDHRXAE-UHFFFAOYSA-N 323.393 -0.096 30 20 DBED C#CCN1C[C@@H](NC(=O)Cn2nc3n(c2=O)CCCC3)[C@H](C)C1 1080736218 ANFOEFPBLCNYJE-CHWSQXEVSA-N 317.393 -0.549 30 20 DBED C=CCCC(=O)NC1(CO)CCN(C(=O)[C@H]2CCNC2=O)CC1 1080769462 URMIRYPETKIQQX-LBPRGKRZSA-N 323.393 -0.442 30 20 DBED C#CCOCCC(=O)N1CCC(CN(CC)C(=O)C(N)=O)CC1 1081084779 GLFBGAMYOHOMSC-UHFFFAOYSA-N 323.393 -0.401 30 20 DBED N#Cc1cc(C(=O)N2C[C@@H](O)[C@H](CNC(=O)C(F)F)C2)c[nH]1 1081149320 HJHNPOLZMVROOK-PSASIEDQSA-N 312.276 -0.299 30 20 DBED N#CCSCC(=O)N1C[C@H](O)[C@H](CNC(=O)C(F)F)C1 1081149802 NDAQFOSIZICNNX-SFYZADRCSA-N 307.322 -0.556 30 20 DBED C=CCCC(=O)N1C[C@H](CNC(=O)Cc2cncnc2)[C@@H](O)C1 1081447845 RXPUSOZECCLOMB-KBPBESRZSA-N 318.377 -0.079 30 20 DBED C=CCCCC(=O)N1C[C@H](CNC(=O)c2ncn(C)n2)[C@@H](O)C1 1081453222 RQUAUUXOFXDDBO-RYUDHWBXSA-N 321.381 -0.280 30 20 DBED Cc1c[nH]c(C(=O)N2C[C@H](O)[C@H](CNC(=O)C#CC(C)C)C2)n1 1081464203 WYQBBVCZJOVVDZ-OLZOCXBDSA-N 318.377 -0.073 30 20 DBED CCCN(C)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C#CC2CC2)C1 1081472178 WCGHLCTUYCUQGJ-LSDHHAIUSA-N 321.421 -0.323 30 20 DBED C=C(C)CCC(=O)NC[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@@H]1O 1081531712 WHHMGTMXJGLCJW-MNOVXSKESA-N 322.369 -0.885 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)C1CCC(C(N)=O)CC1 1081883384 FUUOTSAPGCEVHF-FIYWTHMPSA-N 308.382 -0.383 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)c2cc(C)c(C(N)=O)cn2)C1 1083793133 CNSJLLBHCRQBHA-OLZOCXBDSA-N 304.350 -0.550 30 20 DBED CN(C[C@@H]1CCN1CC#N)C(=O)[C@@H]1CCc2nnnn2CC1 1085828834 GKKNZMJZLMPKJH-NEPJUHHUSA-N 303.370 -0.318 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2C[C@H](N[C@@H](C)C(N)=O)C2)nn1 1086499383 CTSRXEHRJAHBIL-DCAQKATOSA-N 306.370 -0.564 30 20 DBED C#CCCN1CC[C@@H](NC(=O)Cc2cn(C)nc2C)[C@@H](O)C1 1090332379 XCNVITJEOPVEGV-CABCVRRESA-N 304.394 -0.154 30 20 DBED CC(C)N(C)CC(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@H]1O 1090440063 RUBLVCPDAVPUSY-ZIAGYGMSSA-N 317.393 -0.041 30 20 DBED CC#CCN1CC[C@@H](NC(=O)Cn2c(C)csc2=O)[C@H](O)C1 1090795924 MKICYXKTVPMVPA-CHWSQXEVSA-N 323.418 -0.207 30 20 DBED Cc1nn2cccnc2c1C(=O)N[C@@H]1CCN(CC#N)C[C@@H]1O 1090819452 BGEYVSFWZQJVJA-NEPJUHHUSA-N 314.349 -0.274 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(c2ncnc3c2CCC3)C[C@@H]1O 1091081730 IAISSQNNDMDKQI-KGLIPLIRSA-N 318.377 -0.166 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1091118297 HFCFGBCEHRWZRB-UHTWSYAYSA-N 317.349 -0.395 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(c2nc(C)cc(C)n2)C[C@@H]1O 1091149944 IUDIURMILOSXCP-KGLIPLIRSA-N 318.377 -0.201 30 20 DBED Cc1ccc(C#N)c(N2C[C@@H](C)[C@H](CNC(=O)C(N)=O)C2)n1 1092442836 ZQDOBJCEUHQRDJ-BXKDBHETSA-N 301.350 -0.065 30 20 DBED Cn1cc(C(=O)NCCNc2ncccc2C#N)n(C)c1=O 1093683930 MMQJRKKRCWUNEU-UHFFFAOYSA-N 300.322 -0.168 30 20 DBED Cc1ccc(C#N)c(NCCNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)n1 1094136570 RKOIYCGFQBMGLX-NWDGAFQWSA-N 317.349 -0.177 30 20 DBED CC[C@@]1(C(=O)NCCNc2cnc(C#N)cn2)CCNC1=O 1094218688 KGLOSQYCZHFIRG-CQSZACIVSA-N 302.338 -0.207 30 20 DBED N#Cc1nccnc1NCCNC(=O)c1cnc2n1CCOC2 1094220313 RZZRLHGCHCINMM-UHFFFAOYSA-N 313.321 -0.083 30 20 DBED Cc1cc(C(=O)N[C@H]2CC(=O)N(C3CN(CC#N)C3)C2)no1 1094697094 HDXRFCCIVMDCOU-JTQLQIEISA-N 303.322 -0.479 30 20 DBED Cc1ccnc(C(=O)N[C@H]2CC(=O)N(C3CN(CC#N)C3)C2)n1 1094730795 IQWOUSAQSGDDNH-NSHDSACASA-N 314.349 -0.677 30 20 DBED CCNC(=O)CC(=O)N1CC[C@H](Nc2cncc(C#N)n2)C1 1096937010 DMUMJCHJYIYRSC-JTQLQIEISA-N 302.338 -0.113 30 20 DBED C[C@@H](CC(=O)N[C@H]1C[C@H](Nc2nccnc2C#N)C1)NC(N)=O 1097072168 ZWUJEGQYUGONEN-GUBZILKMSA-N 317.353 -0.146 30 20 DBED CN1C(=O)CN(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC#N)C1=O 1098208401 UYFGJTLVYRJFAN-MXWKQRLJSA-N 305.338 -0.875 30 20 DBED C=CCN(CCO)C1CCN(C(=O)[C@]2(C)CCNC2=O)CC1 1098477848 MAWOCVHYAFQAAK-MRXNPFEDSA-N 309.410 -0.016 30 20 DBED C=C(C)CN(CCO)C1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1 1098480247 WZOGXTUTZWUEMX-KGLIPLIRSA-N 309.410 -0.031 30 20 DBED C=CCNCc1cn([C@H]2CCN(C(=O)CN(C)C(C)=O)C2)nn1 1098618428 AXGDIBCQWLOBHY-AWEZNQCLSA-N 320.397 -0.195 30 20 DBED CCC(=O)N[C@H]1CCN(CC(=O)N(CC)CCC#N)C[C@H]1O 1099613889 OIZUBFUWIPVFBK-QWHCGFSZSA-N 310.398 -0.290 30 20 DBED CC(C)(C)CC(=O)N[C@H]1CCN(CC(=O)NCC#N)C[C@H]1O 1099681483 QTUJSXSXLWNRQP-NWDGAFQWSA-N 310.398 -0.386 30 20 DBED COCC#CCN1CC[C@H](NC(=O)CCc2ncc[nH]2)[C@H](O)C1 1099803758 CWEDEJHCQCUAGW-UONOGXRCSA-N 320.393 -0.457 30 20 DBED C=CC(C)(C)CC(=O)N[C@H]1CCN(Cc2nnnn2C)C[C@@H]1O 1099850844 RPHNPDXVCNXQDQ-RYUDHWBXSA-N 322.413 -0.136 30 20 DBED CN(CCNC(=O)CN1CCOCC1)c1ccncc1C#N 1100065381 DZJXCHMUMUSLEM-UHFFFAOYSA-N 303.366 -0.162 30 20 DBED C[C@H](C(=O)NCCN(C)c1ccc(C#N)nc1)S(C)(=O)=O 1100393915 BMTXIMKXQFGBFN-SNVBAGLBSA-N 310.379 -0.061 30 20 DBED CCNC(=O)CC(=O)NCCN(CC)c1cnc(C#N)cn1 1100496731 BGRXBDHCMZMSPK-UHFFFAOYSA-N 304.354 -0.183 30 20 DBED CCN(CCNC(=O)CN1CCOCC1)c1ccc(C#N)nn1 1100513343 QZMXIQGYYBXPEG-UHFFFAOYSA-N 318.381 -0.377 30 20 DBED CN(C)CC1(C(=O)NCC2CC(NCC(=O)NCC#N)C2)CC1 1100617487 XFSSSPGJZHFJEJ-UHFFFAOYSA-N 321.425 -0.548 30 20 DBED C[C@@H](CC(N)=O)C(=O)NC[C@H]1CCCN1c1cnc(C#N)cn1 1100886767 OTNDSIDKURFQRN-CMPLNLGQSA-N 316.365 -0.055 30 20 DBED C[C@H](CC(N)=O)C(=O)NC[C@H]1CCN(c2ccc(C#N)nn2)C1 1101036959 WOBGCYVALQPBBO-GHMZBOCLSA-N 316.365 -0.198 30 20 DBED CCCN(CCNC(=O)[C@H]1C[C@H]1C(N)=O)c1nccnc1C#N 1101240300 BNGYZQVWDHNULM-MNOVXSKESA-N 316.365 -0.198 30 20 DBED Cn1nncc1C(=O)NCCN(c1cnc(C#N)cn1)C1CC1 1101341753 OQARLHGJFUPTNB-UHFFFAOYSA-N 312.337 -0.124 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](C)[C@H](CNC(=O)CCOC)C1 1101666814 CAWCTHKDQOLQMF-HZSPNIEDSA-N 309.410 -0.155 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)CCOCC)C1 1101802099 UUUXLQVWBPTPAO-ZIAGYGMSSA-N 309.410 -0.154 30 20 DBED COCC#CCN1C[C@@H](C)[C@H](CNC(=O)COCCOC)C1 1101830047 JEVBGMXNYUKGBX-HUUCEWRRSA-N 312.410 -0.017 30 20 DBED CN(CCNc1ccc(C#N)nc1)C(=O)CN1CCNC(=O)C1 1101893257 VGMYNLKYDLECRC-UHFFFAOYSA-N 316.365 -0.745 30 20 DBED CCN(C(=O)CC(N)=O)[C@@H]1CCN(c2nccnc2C#N)C1 1102783988 IAPFSYRXCWRTOG-SNVBAGLBSA-N 302.338 -0.349 30 20 DBED C[C@H](CNC(=O)[C@@H]1COCCN1C)CNc1nccnc1C#N 1103923483 YXAIPXHXANGOIA-AAEUAGOBSA-N 318.381 -0.157 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)C[C@H]1CCC(=O)N1 1104012241 CYDWLSYJGZAPLO-WDEREUQCSA-N 316.365 -0.397 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)[C@@]12COC[C@@H]1C2 1104249224 KJSYAISQZCZBIW-ZETOZRRWSA-N 301.350 -0.029 30 20 DBED CN(CCN(C)c1ccc(C#N)nn1)C(=O)[C@H]1COC(=O)N1 1105393211 MZPPDJOMLIXBPU-SNVBAGLBSA-N 304.310 -0.649 30 20 DBED C#CCNC(=O)CC(=O)N1CCC(OC2CN(CC#C)C2)CC1 1105703597 FQPSOJBPEBDYGD-UHFFFAOYSA-N 317.389 -0.549 30 20 DBED N#Cc1nc(=NC[C@@H](O)CNC(=O)/C=C\c2ccco2)cc[nH]1 1105712380 ZZDCNJGIHUOAQG-DLRQAJBASA-N 313.317 -0.034 30 20 DBED Cc1cc(C(=O)NC[C@H](O)CNc2cncc(C#N)n2)n(C)n1 1105732923 CRTOWADZVQXSBC-LLVKDONJSA-N 315.337 -0.407 30 20 DBED N#Cc1nccnc1NC[C@H](O)CNC(=O)CC1(O)CCC1 1105810786 XTURKVOMWNHBGS-SNVBAGLBSA-N 305.338 -0.458 30 20 DBED C[C@@H]1CN(C(=O)[C@H]2CCCOC2)C[C@H]1CNCC(=O)NCC#N 1105924683 WAXWCRMXPBHUOU-HZSPNIEDSA-N 322.409 -0.263 30 20 DBED CC(=O)N(C)CC(=O)N[C@@H](C)CCN=c1cc[nH]c(C#N)n1 1106231230 VZPDDFLGSSLIMP-JTQLQIEISA-N 304.354 -0.445 30 20 DBED CCN(CCN=c1cc[nH]cc1C#N)C(=O)[C@@H]1CN(C)CCO1 1106709720 BRDRLRXWPZRNGD-HNNXBMFYSA-N 317.393 -0.034 30 20 DBED N#Cc1nc(=NC/C=C\CNC(=O)CCCCC(N)=O)cc[nH]1 1107331463 FKCJBOAKIINQEV-ARJAWSKDSA-N 316.365 -0.100 30 20 DBED C#CCOCCC(=O)NC[C@@]1(C)CN(CC#CCOC)CCO1 1107939485 CZWYSHYELRZRIJ-KRWDZBQOSA-N 322.405 -0.117 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)C[C@@H]1CCC(=O)NC1 1107969378 XTMLKVLUACMVSQ-MNOVXSKESA-N 316.365 -0.397 30 20 DBED C[C@H](CNc1ccc(C#N)nn1)NC(=O)[C@@]1(C)CCNC1=O 1108105351 BRCWQHSKJXVQBH-OTYXRUKQSA-N 302.338 -0.209 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)c1cc2n(n1)CCO2 1108179854 VROOQAXIZXNXSB-SECBINFHSA-N 313.321 -0.411 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)C(C)(C)NC(=O)NCC)C1 1108256661 BXQCQQSRIYTSAL-MRXNPFEDSA-N 324.425 -0.076 30 20 DBED CC#CCN1CCO[C@](C)(CNC(=O)c2cn(C)c(=O)n2C)C1 1108426234 LGMQEAKJTLNMSJ-MRXNPFEDSA-N 320.393 -0.432 30 20 DBED CSC[C@@H](C)C(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1 1108522082 MWJHWKCHRZUGHF-GHMZBOCLSA-N 310.423 -0.090 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)COCCCC)CC2=O)C1 1108525912 RNLJHEJYNWPTBC-CYBMUJFWSA-N 307.394 -0.162 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)C[C@@H](C)COC)CC2=O)C1 1108583338 LULBLWIRRAXHRT-CHWSQXEVSA-N 307.394 -0.307 30 20 DBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CC1(O)CCC1 1110536906 GLUCUWXTGHLUIP-UPJWGTAASA-N 320.393 -0.347 30 20 DBED CC(C)[C@@H](O)C(=O)NC[C@]1(O)CCN(c2cncc(C#N)n2)C1 1111075518 CFMYBUDRDLMLAR-UKRRQHHQSA-N 319.365 -0.577 30 20 DBED COCC(=O)N[C@]1(CO)CCCN(c2cnc(C#N)cn2)C1 1111336355 NRAJLJYKWKAGJG-CQSZACIVSA-N 305.338 -0.558 30 20 DBED CC[C@H](OC)C(=O)N(CCO)CCN=c1cc[nH]c(C#N)n1 1111432294 HDQYFYYUQJVNKD-NSHDSACASA-N 307.354 -0.572 30 20 DBED Cc1cc(NCCN(CCO)C(=O)[C@@H](C)C#N)nc(CO)n1 1111436121 SDMGFTSRKNBTKC-JTQLQIEISA-N 307.354 -0.330 30 20 DBED CCCOCC(=O)NC[C@H]1CN(c2nccnc2C#N)C[C@H]1O 1112710749 ZUSFCLHXHYTCHN-WCQYABFASA-N 319.365 -0.312 30 20 DBED C=CCN1CC[C@@H](N2CCN(C(=O)CNC(=O)CC)CC2)C1=O 1112719759 SFETZMAQOLDZQE-CYBMUJFWSA-N 322.409 -0.556 30 20 DBED C[C@H](N=c1cc[nH]c(C#N)n1)[C@@H](C)NC(=O)c1cn(C)c(O)n1 1113311887 QXEVITSWEDXOKT-DTWKUNHWSA-N 315.337 -0.172 30 20 DBED C[C@H]1C[C@H](C(=O)N2CCN(CC(=O)NCC#N)CC2)CCO1 1113459270 WVALQTJUUFKEOV-QWHCGFSZSA-N 308.382 -0.415 30 20 DBED C[C@@H](CC(N)=O)C(=O)NC[C@H](C)N(C)c1nccnc1C#N 1113800228 YFBIZTXIVFSFHG-UWVGGRQHSA-N 304.354 -0.199 30 20 DBED C[C@H](CNC(=O)CC(=O)N(C)C)N(C)c1cncc(C#N)n1 1113917046 OKUWBTFPHNIFQQ-SNVBAGLBSA-N 304.354 -0.233 30 20 DBED C#CCO[C@H](C)C(=O)NC1[C@H]2CN(CCOCCOC)C[C@H]12 1114270680 JEGHRBPXYGJPJV-RDBSUJKOSA-N 310.394 -0.266 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)c3c(C)ncn3C)[C@@H]2C1 1114432113 ZNCHBILDEIPGEM-VXGBXAGGSA-N 317.393 -0.309 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)CCCn3cncn3)[C@@H]2C1 1115076977 QMTMQVUTBPGLNO-ZIAGYGMSSA-N 317.393 -0.246 30 20 DBED C#CCNC(=O)COC(=O)Cc1ccccc1NS(C)(=O)=O 1116035340 OIPSHPFUNUWEMP-UHFFFAOYSA-N 324.358 -0.107 30 20 DBED C#C[C@@H](C)NC(=O)C(=O)Nc1ccc(CNS(C)(=O)=O)cc1 1116729999 SXLDMXMVACHQKI-SNVBAGLBSA-N 323.374 -0.188 30 20 DBED C=CCOC[C@H](NC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)OC 1116886454 SLUNZGIGEDRCCK-UWVGGRQHSA-N 305.352 -0.719 30 20 DBED N#Cc1ncn(CCNC(=O)NCCCOC[C@H]2CCOC2)n1 1117283332 MSCGEHSAQINVCX-GFCCVEGCSA-N 322.369 -0.108 30 20 DBED CC#CCCNC(=O)C(=O)N[C@@H]1CCC[C@@H](S(C)(=O)=O)C1 1117470767 SIRKUFLCFACWLL-VXGBXAGGSA-N 314.407 -0.012 30 20 DBED COCC1=CCN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)CC1 1118187415 PBNBPVSIBKHOQP-HNNXBMFYSA-N 307.350 -0.331 30 20 DBED C=CCCOCCNC(=O)C(=O)N1CCC(CO)(CO)CC1 1119216525 OHEPQFIEGTUOJO-UHFFFAOYSA-N 314.382 -0.711 30 20 DBED C#CCN(C(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1)C(C)C 1119685465 AYVHDSCRGMUUOP-KGLIPLIRSA-N 307.394 -0.164 30 20 DBED CCn1cc(C(=O)NC[C@H](CO)Nc2cncc(C#N)n2)cn1 1121228116 CJXNNJHBBKRBFX-GFCCVEGCSA-N 315.337 -0.233 30 20 DBED N#Cc1cccnc1N[C@H](CO)CNC(=O)Cc1cncnc1 1121412866 XAZLXTHCYNSMQJ-ZDUSSCGKSA-N 312.333 -0.125 30 20 DBED CC(C)(C)C#CC(=O)NC[C@@H](CO)Nc1nccn2nnnc12 1121439573 NTGSTOJWKVAAFK-JTQLQIEISA-N 317.353 -0.542 30 20 DBED CNC(=O)CCCC(=O)NC[C@@H](CO)Nc1ccc(C#N)nn1 1121463865 IHELJNSALFBKRC-NSHDSACASA-N 320.353 -0.846 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)Cc1ccon1 1124201981 YSVURJYVGCUUBF-LLVKDONJSA-N 316.321 -0.768 30 20 DBED C=CCCC(=O)NCCN[C@H](C)C(=O)N1CCC[C@@H](C(N)=O)C1 1124640937 VGVMXEZFWFPEJP-CHWSQXEVSA-N 324.425 -0.229 30 20 DBED CN(C)C(=O)CC(=O)N(C)C[C@H](O)CNc1nccnc1C#N 1124797989 MDXJLULFFHFLIP-SNVBAGLBSA-N 320.353 -0.942 30 20 DBED CN(C[C@H](O)CN(C)c1cnc(C#N)cn1)C(=O)CC(C)(C)O 1125099629 CMACAKBEUATSOF-GFCCVEGCSA-N 321.381 -0.235 30 20 DBED C#CCO[C@@H](C)C(=O)NCCNCc1nnc2n1CCCC2 1127039166 FCLUGNHOPKWJRQ-LBPRGKRZSA-N 305.382 -0.142 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(C(C)C)C[C@@H]1n1ccnn1 1128907884 KPDUOIJBQNIOHE-OLZOCXBDSA-N 318.381 -0.833 30 20 DBED C#CCCN[C@@H]1CN(C(=O)[C@H]2CCOC2)C[C@@H]1n1ccnn1 1129655840 HTJITVKEDYPYGT-MJBXVCDLSA-N 303.366 -0.321 30 20 DBED C=CCCN[C@@H]1CN(C(=O)COCCOC)C[C@@H]1n1ccnn1 1129712538 MASXLSOMJGYMLT-KGLIPLIRSA-N 323.397 -0.141 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)c1ccc2nc[nH]c2n1 1130122116 KVLJVEVKWVGEQF-SNVBAGLBSA-N 316.365 -0.032 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CCc2nccn2C1 1130481566 WILUWJRTUYDMNZ-CHWSQXEVSA-N 317.393 -0.711 30 20 DBED C#CCN1C[C@@H](NC(=O)CNS(=O)(=O)CC)CC[C@H]1C 1132085903 AQHDLHJCDASKJD-NEPJUHHUSA-N 301.412 -0.472 30 20 DBED C=CC(C)(C)C(=O)NCCNC[C@@H](O)CN1C(=O)CCC1=O 1132395466 BWXWORGGXBXVPJ-LLVKDONJSA-N 311.382 -0.586 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)c1cn(C)cn1 1134105196 RAKUKGGUPGYZJI-NWDGAFQWSA-N 305.382 -0.344 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cnc(C2CC2)nc1 1134853364 HOTQZHXSMMPVBK-UHFFFAOYSA-N 301.350 -0.577 30 20 DBED C#CCNC(=O)[C@H](C)N1CCCO[C@@H](CNC(=O)C(F)F)C1 1149038478 LZNWPMHZLRNHCD-QWRGUYRKSA-N 317.336 -0.404 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1ccc(C2CC2)cn1 1149512424 BGGHAZKVZNRHKG-UHFFFAOYSA-N 301.350 -0.082 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H](C)N(CC)C[C@@H]1CCOC1 1152861836 WKMVCLIYIIKRQF-KGLIPLIRSA-N 309.410 -0.011 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@@]1(C)C[C@H]2CC[C@H]1O2 1158138854 DZXNPOQOFLBVHS-IOASZLSFSA-N 307.394 -0.211 30 20 DBED COCC#CCNCCCNC(=O)[C@H]1CN2CC3CC2(CO1)C3 1162872422 RDJGKKKEWLPMSZ-ISXOHVOVSA-N 321.421 -0.405 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)[C@H]1CCN(C)[C@@H](C)C1 1164577793 SKSVTUZAUKTZBC-ZNMIVQPWSA-N 322.453 -0.050 30 20 DBED COCC#CCNCC1(CCNC(=O)[C@H]2C[C@H]2C(N)=O)CC1 1167244779 BLDMWZHZWQGPDS-OLZOCXBDSA-N 307.394 -0.366 30 20 DBED C#CCNC(=O)[C@H](C)NCCCC[C@H](C)NC(=O)c1nc[nH]n1 1175777109 OCJOWMUBJSDMMC-RYUDHWBXSA-N 320.397 -0.179 30 20 DBED CNC(=O)CN1CCO[C@H]2CCN(C(=O)C#CC(C)C)C[C@H]21 1176999753 ITELTHQTYYVRBC-KGLIPLIRSA-N 307.394 -0.307 30 20 DBED Cc1nnc(CC(=O)N2CC[C@H](NCC(=O)NCC#N)[C@@H]2C)o1 1178611821 QXDJHYVSRYRBDH-ONGXEEELSA-N 320.353 -0.861 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)C(F)F)C1 1180587680 PYISUBOLYUISEC-RKDXNWHRSA-N 318.324 -0.158 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)CC2OCCCO2)C1 1182172447 BZHAFZMUHGJPJF-CHWSQXEVSA-N 323.393 -0.532 30 20 DBED C[C@H]1CN(C(=O)c2nc[nH]n2)CC[C@@H]1CNCC(=O)NCC#N 1185358421 HBCMPQZIFOAROU-WDEREUQCSA-N 319.369 -0.868 30 20 DBED CC#CCN(C)[C@H]1CCN(C(=O)Cn2ccc(O)nc2=O)C1 1191189620 ZJGWLZLJUWREHF-LBPRGKRZSA-N 304.350 -0.495 30 20 DBED C=CC(C)(C)CC(=O)N[C@@H]1CN(C[C@@H](O)COC)C[C@H]1O 1193337140 JQBUSLTYVZLMOM-JHJVBQTASA-N 300.399 -0.243 30 20 DBED Cc1nc(O)nc(C)c1CCC(=O)N[C@@H]1CN(CC#N)C[C@H]1O 1193765945 KRWCNQVXPLUZQU-CHWSQXEVSA-N 319.365 -0.583 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)[C@]2(CC)CCNC2=O)C1 1193902566 UAUGXMRTWUYRTA-JTNHKYCSSA-N 315.801 -0.184 30 20 DBED CC#CCN(C)[C@H]1CCN(C(=O)CC[C@H]2NC(=O)NC2=O)C1 1193907374 YHQXNXBHIJQWOS-NWDGAFQWSA-N 306.366 -0.469 30 20 DBED COCC#CCN1CCCN(C(=O)c2cnnc(O)c2)CC1 1196223220 NAJZNWRIEIBVIM-UHFFFAOYSA-N 304.350 -0.020 30 20 DBED COC[C@@H](C)CC(=O)N1CCCN(CC(=O)NCC#N)CC1 1197647251 NXNZNXPNIBXMHO-ZDUSSCGKSA-N 310.398 -0.167 30 20 DBED COCC#CCN[C@@H](CNC(=O)C(N)=O)c1ccccc1OC 1198865843 NTDABVYUKSQMIJ-ZDUSSCGKSA-N 319.361 -0.423 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)CN(C(C)=O)c2ccccc2)C1 1198905229 ZMPQCZRAIAGRIH-HZPDHXFCSA-N 315.373 -0.166 30 20 DBED COCCOC[C@H](O)CNC1CCN(C(=O)[C@H](C)C#N)CC1 1199815382 AKCPHYGJVGQVHO-TZMCWYRMSA-N 313.398 -0.249 30 20 DBED CC#CCN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)c1nnc(O)nc1O)C2 1204529120 SKMGXENQJWANOK-GMTAPVOTSA-N 317.349 -0.111 30 20 DBED Cn1ncnc1COCC(=O)N1C[C@H]2CC[C@H]1[C@@H](NCC#N)C2 1204852995 PSQYKPRVWVJYJP-AVGNSLFASA-N 318.381 -0.176 30 20 DBED COCC#CCN1C[C@@H](NC(=O)Cc2ccn(C)n2)[C@H](OC)C1 1212244467 WCNQGCFPUNWNBN-HUUCEWRRSA-N 320.393 -0.572 30 20 DBED C[C@@H]1CN(C(=O)c2ccc(F)cn2)C[C@H]1NCC(=O)NCC#N 1214481942 AXXFFYOAFQVWOV-ZWNOBZJWSA-N 319.340 -0.089 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2ccnn2C)C[C@@H]1O 1219605638 YIKXEPHHBRCMEX-BNOWGMLFSA-N 306.366 -0.880 30 20 DBED C=C[C@@H](C(=O)N[C@@H]1CN(CC(N)=O)C[C@@H]1O)c1ccccc1 1221048076 DTCISERWHRFYFS-MCIONIFRSA-N 303.362 -0.397 30 20 DBED C#CCNC(=O)CC(=O)N(C)C[C@@H]1CCN1Cc1ccon1 1233810974 SUBMWXGBEPOARS-ZDUSSCGKSA-N 304.350 -0.153 30 20 DBED C#CCNC(=O)C1CCN(C(=O)CS(=O)(=O)C(C)C)CC1 1256685150 HRBLATYUENRUQE-UHFFFAOYSA-N 314.407 -0.202 30 20 DBED C#CCSCCNC(=O)C(=O)NCC1([S@](C)=O)CC1 1261092992 WNVGLSHFFNEDGI-IBGZPJMESA-N 302.421 -0.504 30 20 DBED CC(C)OC(=O)CNC(=O)CCN/C(O)=C1/N=CC=CC1=O 1318916356 MOTIEHXSSFEWDL-YPKPFQOOSA-N 309.322 -0.029 30 20 DBED N#CCN1CCC(NC(=O)N2CCN3C(=O)NC[C@@H]3C2)CC1 1319081482 ICBRHCFQSBXNMN-GFCCVEGCSA-N 306.370 -0.607 30 20 DBED C[C@H](O)[C@H]1CCCN(C(=O)C(=O)Nc2cnn(CC#N)c2)C1 1319461169 BWXBEKFXOSFJJM-QWRGUYRKSA-N 305.338 -0.035 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 1323587501 KPHDUYRLKQOXJI-SECBINFHSA-N 311.298 -0.775 30 20 DBED C[C@@H](NC(=O)C(=O)Nc1cccc(C#N)n1)C(=O)NCCF 1329297861 FVFGHNCXNNOEJK-MRVPVSSYSA-N 307.285 -0.518 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1329454361 PVUXRIMDJLIDFL-AWEZNQCLSA-N 320.393 -0.154 30 20 DBED CNC(=O)[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](CC#N)C2)CCO1 1330418418 MEVWHYLHNKPJOD-RYUDHWBXSA-N 322.365 -0.888 30 20 DBED C=CCN(C(=O)C(=O)NCCS(=O)(=O)CC)[C@H](C)COC 1330899331 FYABCJPAHKTFFE-LLVKDONJSA-N 320.411 -0.413 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCC[C@H](CCC(=O)OC)C1 1336367672 QKEMTTQEPJAOCU-CYBMUJFWSA-N 324.377 -0.056 30 20 DBED N#C[C@]1(F)CCN(C(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)C1 1345571033 MFRUXWZFMODXPV-SLEUVZQESA-N 324.356 -0.570 30 20 DBED C[C@H]1CC(=O)NN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1362057483 OAIDMXYRMHCWGO-QMMMGPOBSA-N 322.346 -0.623 30 20 DBED CN(C)[C@@H]1CCC[C@H]1NC(=O)CCn1cc(C#N)c(O)nc1=O 1362688936 OWGJKRJFZNTHEJ-VXGBXAGGSA-N 319.365 -0.190 30 20 DBED COC(=O)c1c[nH]nc1S(=O)(=O)N1CC[C@@](F)(C#N)C1 1364818788 CZEGDZQZISXCGR-SNVBAGLBSA-N 302.287 -0.177 30 20 DBED CO[C@H](C)CC(=O)NCCN1CCN(C(=O)[C@H](C)C#N)CC1 1385548014 LIHOUIWMHZOQHY-CHWSQXEVSA-N 310.398 -0.169 30 20 DBED C[C@@H](C#N)C(=O)NC1CN(C(=O)c2ccc(C(N)=O)s2)C1 1387801369 QDARZGLSSOXCQY-ZETCQYMHSA-N 306.347 -0.053 30 20 DBED Cc1nonc1CN1CCN(CCNC(=O)[C@@H](C)C#N)CC1 1389403983 BNNISSWDXDMHIS-NSHDSACASA-N 306.370 -0.229 30 20 DBED C[C@H](C#N)C(=O)NCCN1CCN(C(=O)Cn2cccn2)CC1 1407447600 LRGCIGRPRYBFBK-CYBMUJFWSA-N 318.381 -0.697 30 20 DBED COCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H](CO)NC(N)=O 1417632325 PZTMGMIJANSLNU-CYBMUJFWSA-N 320.349 -0.438 30 20 DBED C=C(Cl)CNC[C@H](O)CNC(=O)C(C)(C)N1CCOCC1 1422373831 PBPNJXLKTDEVSL-LBPRGKRZSA-N 319.833 -0.084 30 20 DBED Cc1cnn(CC(=O)NC[C@]2(O)CCN(C(=O)[C@@H](C)C#N)C2)c1 1434336947 LQLLMOXJUBTNQN-SWLSCSKDSA-N 319.365 -0.569 30 20 DBED C=C(Cl)CNC[C@@H](O)CNC(=O)[C@H]1CCN(C)C(=O)C1 1445218982 YEEXCZMWRPBGCY-WDEREUQCSA-N 303.790 -0.326 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)[C@H]2CCCS2(=O)=O)CC1 1453411890 XQWHMAPPQAZFDY-NXEZZACHSA-N 313.379 -0.512 30 20 DBED C[C@H](C#N)C(=O)N1CCCCC[C@H]1CNC(=O)Cn1cnnn1 1487124320 STXJYMUBVJKNBL-NEPJUHHUSA-N 319.369 -0.280 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 1490576873 NHMZHHXDGYYNEK-NEPJUHHUSA-N 317.411 -0.929 30 20 DBED C[C@H](C(=O)NCc1cncc(C#N)c1)n1cnc(-c2nn[nH]n2)n1 1573729122 HECYZCVPSQBGLR-MRVPVSSYSA-N 324.308 -0.398 30 20 DBED CN(CC1(O)CCOCC1)c1cnc(-c2nn[nH]n2)c(C#N)n1 1579063855 MYHQQGVGCGCYRS-UHFFFAOYSA-N 316.325 -0.494 30 20 DBED CC#CCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@@H]2C(=O)O)C1 1588924802 FLTOGISTTGUDHL-NEPJUHHUSA-N 322.361 -0.410 30 20 DBED CN(CC1CC1)C(=O)Cn1c(N)nc(C#N)c1-c1nn[nH]n1 1591053984 YZIJBIMVZKIQSX-UHFFFAOYSA-N 301.314 -0.615 30 20 DBED COC(=O)C(C)(C)C(=O)Cn1cnc(-c2nn[nH]n2)c1C#N 1591226344 VFEOTILUJQDBTL-UHFFFAOYSA-N 303.282 -0.297 30 20 DBED C=C[C@@H](COC)NC(=O)N1CCO[C@@](COC)(C(=O)O)C1 1602717684 XXGWWKPLXACJTL-GWCFXTLKSA-N 302.327 -0.301 30 20 DBED C[C@H]1CN(C(=O)Cn2cnc(C#N)c2-c2nn[nH]n2)CCO1 1603921584 PORBADCNJKVKTO-QMMMGPOBSA-N 302.298 -0.818 30 20 DBED COCCN1CN(c2c(C#N)cccc2-c2nn[nH]n2)CC1=O 1609326198 CTCZLGQMGFMZIY-UHFFFAOYSA-N 313.321 -0.009 30 20 DBED CS(=O)(=O)N1CCC[C@H](C(=O)N2CC[C@](O)(CC#N)C2)C1 1649926101 YMRWWEQWRIUZTR-WCQYABFASA-N 315.395 -0.465 30 20 DBED N#CCNC(=O)CNC[C@H]1CCCCN1C(=O)Cc1cnc[nH]1 1752830385 GIUIMJOTCSBDOZ-CYBMUJFWSA-N 318.381 -0.437 30 20 DBED C[C@H](NC(=O)C#CC1CC1)[C@@H]1CCCN(CC(=O)NC(N)=O)C1 1752835191 CEEORRYOZCQQMS-WCQYABFASA-N 320.393 -0.189 30 20 DBED CC(C)C#CC(=O)N1CCC[C@@H](N(C)CC(=O)NC(N)=O)C1 1752990826 JKRWQZIKUUMWTL-GFCCVEGCSA-N 308.382 -0.237 30 20 DBED C#CCCN(C)[C@@H]1CCCN(C(=O)Cn2ccc(O)nc2=O)C1 1752993982 RLBJKDXBRNDGFA-CYBMUJFWSA-N 318.377 -0.105 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCCN(C(=O)c2nc[nH]n2)C1 1752998387 FBKCWZWUKNBMMD-NSHDSACASA-N 306.370 -0.357 30 20 DBED C=CCNC(=O)CN1CC[C@@H](CNC(=O)[C@H](CC)NC(C)=O)C1 1753135162 KRMQJUGEYNFHPH-KBPBESRZSA-N 324.425 -0.359 30 20 DBED C#CCNC(=O)CN1CC(NC(=O)Cc2ncccc2F)C1 1753385142 KFLUZBQFYWGLNE-UHFFFAOYSA-N 304.325 -0.687 30 20 DBED C=C[C@@](C)(O)CC(=O)N1C[C@@H]2C[C@H]1CN2CCn1cncn1 1753419890 IKOHOHHYKTYAKD-KCQAQPDRSA-N 305.382 -0.110 30 20 DBED C#CCCN1CC[C@H](N(CC)C(=O)CN2CC(=O)N(C)C2=O)C1 1753460889 BJYBQUKPGCJPMT-ZDUSSCGKSA-N 320.393 -0.174 30 20 DBED CC[C@@H](CNC(=O)CC1CCOCC1)NCC(=O)NCC#N 1753468687 LKYIAKRIKLWJRW-ZDUSSCGKSA-N 310.398 -0.073 30 20 DBED C=CCn1cc(C(=O)NC[C@H](CC)N[C@@H]2CCCNC2=O)nn1 1753487549 IDVYCAMBJMCFDQ-NWDGAFQWSA-N 320.397 -0.159 30 20 DBED C#CCNC(=O)CNC[C@](C)(NC(=O)[C@@H](C)NC(C)=O)C1CC1 1753512819 DBSHYRRYTUPIRF-BZNIZROVSA-N 322.409 -0.865 30 20 DBED C#CCOCCC(=O)NCC1(NCc2nnnn2C)CCCC1 1753664049 NMDDXVWVAINQOE-UHFFFAOYSA-N 320.397 -0.231 30 20 DBED C=CCCNC[C@H](O)CNC(=O)Cc1nnn(C(C)(C)C)n1 1753922048 ZONXLWOYDUCNRW-NSHDSACASA-N 310.402 -0.387 30 20 DBED C#CCNC(=O)CNC[C@H](O)CNC(=O)[C@@H]1CCCC1(C)C 1753924250 YBIBIARKTXXTNI-STQMWFEESA-N 309.410 -0.371 30 20 DBED CCn1nccc1C(=O)N[C@H](C)CCNCC(=O)NCC#N 1753959641 SLBFZJQUDCGOCB-LLVKDONJSA-N 306.370 -0.359 30 20 DBED C#CCCNCC[C@H](C)NC(=O)C1(n2cnnn2)CCOCC1 1754016576 NJFAKCWABWVSAX-ZDUSSCGKSA-N 320.397 -0.314 30 20 DBED Cc1cc(=O)c(C(=O)NC/C=C/CNCC(=O)NCC#N)c[nH]1 1754191507 YFPJNIJABZRTDK-NSCUHMNNSA-N 317.349 -0.801 30 20 DBED Cn1ncc(C2CC2)c1C(=O)NC[C@]1(O)CCN(CC#N)C1 1754755376 VSAGQMCKWRSJAO-OAHLLOKOSA-N 303.366 -0.012 30 20 DBED CCCC[C@@H](C(N)=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1754767452 MHSJMNGUASYPPX-ZDUSSCGKSA-N 307.394 -0.393 30 20 DBED C#CCNC(=O)CN1CC(O)(CNC(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)C1 1754769515 CLQZKIKCMGMGSZ-MCIONIFRSA-N 319.405 -0.665 30 20 DBED C#CCNC(=O)CNCC[C@H]1CCN(C(=O)[C@H](C)OCC#C)C1 1754914799 MYFQTFGXDJICEO-GJZGRUSLSA-N 319.405 -0.398 30 20 DBED CC#CCN(C)CCCN(C)C(=O)CN1CC(=O)N(C)C1=O 1755044748 YFVOKJNAPNONDW-UHFFFAOYSA-N 308.382 -0.316 30 20 DBED CCS(=O)(=O)CC(=O)NC[C@H]1CCC2(CN(CC#N)C2)O1 1755056633 GKLVDWMVUXWKAI-LLVKDONJSA-N 315.395 -0.706 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H](C)C1CN(Cc2nc(O)n[nH]2)C1 1755376897 LXNQEUYGXKGXQR-ZJUUUORDSA-N 307.354 -0.515 30 20 DBED CC1(C)CN(CC(=O)NCC#N)C[C@@H]1NC(=O)Cn1cccn1 1755404151 BZAVRTWTXPKIER-LBPRGKRZSA-N 318.381 -0.651 30 20 DBED CN(C[C@@H](O)CNCCn1cncn1)C(=O)c1cc(C#N)c[nH]1 1755777998 PRSQXCYDXYKOHC-LBPRGKRZSA-N 317.353 -0.799 30 20 DBED C#CCO[C@H](C)C(=O)N(C)[C@H](C)CNC(=O)CC(=O)NCC 1756019755 DKIMFNZOWDVDBJ-VXGBXAGGSA-N 311.382 -0.486 30 20 DBED C#CCN1CCC(C(=O)NC[C@H](CO)NC(=O)[C@@H](C)CC)CC1 1756526921 BBSUCUSCQFYLBS-DZGCQCFKSA-N 323.437 -0.029 30 20 DBED C=CCOCC(=O)N1C[C@H](NC(=O)CNC(=O)C2CC2)C[C@H]1C 1756582463 HZRGGKYNHMBCIH-DGCLKSJQSA-N 323.393 -0.179 30 20 DBED C=CCCC(=O)NC[C@@H](O)CN(C)C(=O)[C@H]1CCC(=O)N1C 1756674391 LSGAHXBCMUJSLC-VXGBXAGGSA-N 311.382 -0.491 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)CN(C)C)C2 1841599230 LGEBGKYCCSLECQ-ZDUSSCGKSA-N 307.394 -0.210 30 20 DBED CC(C)(C#N)C(=O)N1CC2(CCCN2C(=O)[C@@H]2CNC(=O)O2)C1 1841647731 UPORTHFDFNXTBQ-JTQLQIEISA-N 320.349 -0.152 30 20 DBED C[C@H](S)C(=O)N1CC2(CCCN2C(=O)C2=NNC(=O)C2)C1 1844224967 VJWSXARUMDZSDX-QMMMGPOBSA-N 310.379 -0.616 30 20 DBED N#Cc1ccc(OC[C@H](O)CN2CCO[C@H](C(N)=O)C2)cc1 51106530 JNNTXURGPGILMX-OCCSQVGLSA-N 305.334 -0.516 30 20 DBED N/C(=N\C[C@@H](O)COc1ccc2c(c1)OCO2)N1CCOCC1 264073880 FDUYCBJSTMOSRN-LLVKDONJSA-N 323.349 -0.198 30 20 DBED N#Cc1c(Cl)nsc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 269057557 SNFDXYYSCWFWAH-ZCFIWIBFSA-N 311.754 -0.185 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCOC[C@@H]2C2CC2)C1=O 270506116 CDXBXHWGNZAMPG-LLVKDONJSA-N 321.333 -0.399 30 20 DBED C=C[C@@H](CO)NC(=O)C(=O)Nc1cc(C(=O)OCC)n(C)c1 290157231 WLYDGQUJOVOOQM-VIFPVBQESA-N 309.322 -0.197 30 20 DBED C=C[C@H](CO)NC(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1 290692212 VCICGWFCHMXQSK-ZWNOBZJWSA-N 302.334 -0.230 30 20 DBED Cn1c(N[C@@H]2CCc3[nH]ncc3C2)c(C#N)c(=O)n(C)c1=O 301292096 QPMAQXXYXNWKKM-SECBINFHSA-N 300.322 -0.352 30 20 DBED CS(=O)(=O)N1CCC[C@@H]1C/N=C(/O)N(CCO)C1CC1 328735891 KVFZHUXNILRXDX-LLVKDONJSA-N 305.400 -0.219 30 20 DBED C[C@@H](C/N=C(/O)N(C)[C@@H]1COC[C@H]1O)CN1CCN(C)CC1 329269246 GVKCMKWRTSJBKQ-BFHYXJOUSA-N 314.430 -0.525 30 20 DBED C[C@H](/N=C(/O)C1(C)COC1)C(=O)N1CCS(=O)(=O)CC1 329336588 PGZMQDVZEJEQHC-VIFPVBQESA-N 304.368 -0.375 30 20 DBED CC(C)N1CCN(/C(O)=N/C[C@H]2CN(C)CCN2C)CC1=O 329477578 BZAQSPCLOYCHHJ-ZDUSSCGKSA-N 311.430 -0.301 30 20 DBED CN(/C(O)=N/[C@@H]1CCCC[C@H]1S(C)(=O)=O)[C@@H]1COC[C@H]1O 330203110 AMIMZNKBIKRYAC-DDHJBXDOSA-N 320.411 -0.052 30 20 DBED CCN(CCC#N)S(=O)(=O)NCCC(=O)N1CCOCC1 336923692 UVUZKHWEXKMSMI-UHFFFAOYSA-N 318.399 -0.695 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@@H](C)C[S@](C)=O 336938321 HNPIMNCHNHVYRL-YPMLDQLKSA-N 311.429 -0.550 30 20 DBED N#C[C@H]1CN(S(=O)(=O)N[C@H](CO)c2ccccc2)CCO1 336949051 REZSQGMHBAXLSL-QWHCGFSZSA-N 311.363 -0.221 30 20 DBED C[C@@H]1CN(C2CC2)C[C@H]1NS(=O)(=O)N1CCO[C@H](C#N)C1 336949487 RSLGRFQIUJJSMZ-RAIGVLPGSA-N 314.411 -0.472 30 20 DBED CN(CC[C@H]1CCCO1)S(=O)(=O)N1CCO[C@@H](C#N)C1 337158345 QUFDGEXIEIUECX-NEPJUHHUSA-N 303.384 -0.044 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N1[C@H]2CC[C@H]1CC(=O)NC2 337778969 RRPYNGPOBVJHID-VWYCJHECSA-N 300.384 -0.182 30 20 DBED COC(=O)[C@H]1CN(S(=O)(=O)N(C)CCC#N)C[C@H](C)O1 337959433 ICJHQGOCUXGQRL-VHSXEESVSA-N 305.356 -0.661 30 20 DBED CN(C)C(=O)NCCNC(=O)C(=O)Nc1sccc1C#N 340318415 ARNJIYGGFYNIEM-UHFFFAOYSA-N 309.351 -0.054 30 20 DBED N#CCNC(=O)CNC(=O)NCc1cccnc1-n1cccn1 344290334 BXGHGBFUJNYGAC-UHFFFAOYSA-N 313.321 -0.294 30 20 DBED C=CCNC(=O)CN1CCC[C@H](CN(C)S(C)(=O)=O)C1 352544699 SKXZZHIUBRFQGM-GFCCVEGCSA-N 303.428 -0.108 30 20 DBED C[C@H](CN(C)C(=O)CNc1ccc(C#N)cn1)c1nn[nH]n1 357984138 FISUKBSAOKAWNY-SECBINFHSA-N 300.326 0.140 30 20 DBED COCCN([C@H](C)C(N)=O)S(=O)(=O)c1ccc(C#N)nc1 358189525 MYLJVHLJFVGDDU-SECBINFHSA-N 312.351 -0.536 30 20 DBED C=C(C)CN(C)C(=O)C(=O)NCCNC(=O)c1cnccn1 358368201 NZMFTGGHRPOTPV-UHFFFAOYSA-N 305.338 -0.643 30 20 DBED N#C[C@H]1N(CC(=O)N2CCNC(=O)C2)CCC[C@@]12CCCCO2 366073836 PWQISOOKPPPFIN-CJNGLKHVSA-N 320.393 -0.128 30 20 DBED CCn1cc(C#N)c(=O)n(CCN2C[C@@H]3CC[C@H](C2)O3)c1=O 367763326 KVXLUKDYBLRDPC-BETUJISGSA-N 304.350 -0.235 30 20 DBED CC1(C)CCC[C@]2(C1)NC(=O)N(CC(=O)NCC#CCO)C2=O 412323850 LKACFNNGNIPNKQ-MRXNPFEDSA-N 321.377 -0.011 30 20 DBED C=CCOC[C@@H](NC(=O)c1nc2nccc(C)n2n1)C(=O)OC 435141680 QKQZJPBPTNGPQC-SNVBAGLBSA-N 319.321 -0.093 30 20 DBED CCOC1CC(O)(CNC(=O)CNc2ccc(C#N)cn2)C1 444615395 LMJZXPNNCNQLMJ-UHFFFAOYSA-N 304.350 0.411 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C 491266843 QXQLVGYEHBXNJT-STQMWFEESA-N 305.378 -0.299 30 20 DBED C#CCN(C(=O)NCCCC(=O)O)[C@@H]1CCS(=O)(=O)C1 491474843 QJUFNXCWVTZSAF-SNVBAGLBSA-N 302.352 -0.317 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)OC(C)(C)C)CC1 491663093 OWQIJDBZGYWLAU-LBPRGKRZSA-N 323.393 -0.390 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)/C=C/C2CCOCC2)CC1 491678482 UIZWQQIWGWZTMT-ONEGZZNKSA-N 319.405 -0.137 30 20 DBED C#CCn1ccc(CN(CC)C(=O)CCNS(C)(=O)=O)n1 491680862 KFMOLRQKPHYPBS-UHFFFAOYSA-N 312.395 -0.196 30 20 DBED C#C[C@@H](C)N(C)Cn1c(=O)n(CC=C)c(=O)n(CC=C)c1=O 491786328 SVGTXYWZNQPQAC-GFCCVEGCSA-N 304.350 -0.545 30 20 DBED CNC(=O)OC[C@@H]1CCCCN1C(=O)NCC(=O)NCC#N 497063178 MFCXGTVLPYDMRR-JTQLQIEISA-N 311.342 -0.454 30 20 DBED N#Cc1cccc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1 514614973 NDILSCAGONWYMW-DGCLKSJQSA-N 320.374 -0.509 30 20 DBED Cn1c(N[C@@H]2CCN(C(C)(C)C)C2=O)c(C#N)c(=O)n(C)c1=O 579000433 IOGXDUPBQCCCKH-SNVBAGLBSA-N 319.365 -0.233 30 20 DBED C[C@H](O)[C@@H](NS(=O)(=O)Cc1ccc(F)cc1C#N)C(=O)O 593251394 MRDVLSPGDUSCOW-WRWORJQWSA-N 316.310 -0.049 30 20 DBED C[C@H]1CCC[C@@](C#N)(NC(=O)CNS(=O)(=O)N(C)C)C1 597258402 NILDQRDUORVUCH-CMPLNLGQSA-N 302.400 -0.029 30 20 DBED COC(=O)C[C@@H](O)CNS(=O)(=O)c1cccc(CC#N)c1 599460902 APIGKLSVOGFCKP-LLVKDONJSA-N 312.347 -0.045 30 20 DBED COc1cc(NC(=O)C(=O)N2C[C@H](O)[C@H](O)C2)c(F)cc1C#N 599969241 UKKLFKMYRGUGMQ-PHIMTYICSA-N 323.280 -0.792 30 20 DBED N#CC1(NC(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 609989891 AANDURPGBFLINU-CYBMUJFWSA-N 320.393 -0.128 30 20 DBED C=CCCNC(=O)N1CC(S(=O)(=O)N2CCNCC2)C1 659561245 HSYPRVLKVHFEFO-UHFFFAOYSA-N 302.400 -0.809 30 20 DBED C[C@@]1(c2ccccn2)NC(=O)N(CC(=O)NCCC#N)C1=O 728159296 DTEDKQDCGFIXGZ-AWEZNQCLSA-N 301.306 -0.122 30 20 DBED C#CCNC(=O)COC(=O)c1ccc(S(N)(=O)=O)c(C)c1 730891689 JPGHJGOEIBPSKP-UHFFFAOYSA-N 310.331 -0.451 30 20 DBED C=CCN(CC(=O)NCC(=O)N1CCCC1)CC(=O)OCC 742607523 RKOSOCUORCLTKT-UHFFFAOYSA-N 311.382 -0.224 30 20 DBED C#CCNC(=O)CN1CCN(S(=O)(=O)CCCF)CC1 750157347 VCFZQCMKWARRLB-UHFFFAOYSA-N 305.375 -0.957 30 20 DBED C#CCOCCNC(=O)CN(C)S(=O)(=O)c1cccnc1 784592175 VGCZUASXOBAXEG-UHFFFAOYSA-N 311.363 -0.532 30 20 DBED C#CCNC(=O)COC(=O)CN1CCc2ccccc2C1=O 789273886 GJMVPVMPWFBBND-UHFFFAOYSA-N 300.314 -0.023 30 20 DBED COC(=O)C[C@@H]1CCC(=NNC(=S)NCC(N)=O)[C@H]1C 794510635 VWARICDXIMYQAK-YUMQZZPRSA-N 300.384 -0.099 30 20 DBED C[C@@]1(C(N)=O)CCN(c2cccc(S(N)(=O)=O)c2C#N)C1 795289547 JUPDZSCTNXGNKK-CYBMUJFWSA-N 308.363 -0.093 30 20 DBED C#C[C@H](NC(=O)N1CCC(S(N)(=O)=O)CC1)[C@H]1CCCO1 799976495 YMWHQHQAEOORAZ-NWDGAFQWSA-N 315.395 -0.370 30 20 DBED C#CCNC(=O)CN1CCC(S(=O)(=O)N2CCCC2)CC1 800482309 QYPRXWSGQNZVBV-UHFFFAOYSA-N 313.423 -0.374 30 20 DBED C#CCCCNC(=O)C(=O)N1CCC[C@@H]1CS(=O)(=O)NC 806916976 XUIIRRXYYHNOKM-LLVKDONJSA-N 315.395 -0.944 30 20 DBED C#CC[C@@H]1NC(=O)N(Cc2cccc(OCC(N)=O)c2)C1=O 810002262 VPRJZFYDCYATRB-LBPRGKRZSA-N 301.302 -0.006 30 20 DBED N#Cc1cc(F)ccc1NC(=O)C(=O)N1CCO[C@@H](C(=O)O)C1 819096105 XWPVUYLUUUDAPK-LLVKDONJSA-N 321.264 -0.052 30 20 DBED C#CC[C@H](CO)NC(=O)C1=NN(c2ccccc2)C(=O)[C@H](C)N1 820065168 VBCXWQRNVGJBSC-NWDGAFQWSA-N 314.345 -0.175 30 20 DBED C=CCS(=O)(=O)CCNS(=O)(=O)c1ccc(C(=O)O)o1 833378348 MKFJRMQXCNIXKZ-UHFFFAOYSA-N 323.348 -0.143 30 20 DBED CC(C)(C)N1C[C@@H](C(=O)NS(=O)(=O)CCC#N)CC1=O 835411639 NBEGVOIXDBCPQF-VIFPVBQESA-N 301.368 -0.007 30 20 DBED C#CCO[C@@H](C)C(=O)OCC(=O)NC(=O)N[C@@H](C)COC 837853507 WFNINHDPTNWJDU-UWVGGRQHSA-N 300.311 -0.571 30 20 DBED C#C[C@H](NC(=O)N1CC[C@H](N2CCNCC2)C1)[C@H]1CCCO1 841881311 PZDSCMGHEKQGNV-SOUVJXGZSA-N 306.410 -0.144 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N1CCN2CCOC[C@H]2C1 850710048 QPQBAAHFOJHWSY-CQSZACIVSA-N 323.393 -0.972 30 20 DBED C#CCOc1cccc(NC(=O)C(=O)N[C@H]2COC[C@H]2O)c1 873978277 XMHFSZFPOWVBLJ-QWHCGFSZSA-N 304.302 -0.487 30 20 DBED COC[C@@H](CS(=O)(=O)N1CCN(C2CC2)[C@@H](C#N)C1)OC 881884038 AWKYDJXYOQRKKI-STQMWFEESA-N 317.411 -0.350 30 20 DBED C#CCN1CCC[C@@H](NC(=O)NCc2nnnn2CC2CC2)C1 884273195 LMSHJLOWUFHSLA-CYBMUJFWSA-N 317.397 -0.020 30 20 DBED C#CCN1CCC[C@H](NC(=O)NCC2(O)CCN(C)CC2)C1 890371365 UBRPUXNVDISBAS-AWEZNQCLSA-N 308.426 -0.160 30 20 DBED C=C(C)CN(CC)C(=O)COC(=O)CN(C)S(C)(=O)=O 914924049 UQTRTUYBNVOEEZ-UHFFFAOYSA-N 306.384 -0.154 30 20 DBED CO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1NC(=O)c1nc(C)c[nH]1 941953698 ZKJROGZNDBKHIX-JMJZKYOTSA-N 305.338 -0.167 30 20 DBED O=C1NCC[C@@H]1C(=O)NCC1CCN(C(=O)C#CC2CC2)CC1 948920822 MUMSAYIRKIBVCU-AWEZNQCLSA-N 317.389 -0.109 30 20 DBED Cn1nnc(C(=O)N2CC[C@@H]2CNC(=O)c2cc(C#N)c[nH]2)n1 949301715 IBJCFIJCSIHJLO-SECBINFHSA-N 314.309 -0.946 30 20 DBED CC(=O)N1CC[C@H](C(=O)NC[C@H]2CCN2C(=O)C#CC2CC2)C1 951527581 VPQUITKVUBYEOS-LSDHHAIUSA-N 317.389 -0.015 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](CNC(=O)c2cn(C)c(=O)nc2O)C1 958668142 WTAWYQSOSPKRPN-PWSUYJOCSA-N 322.365 -0.916 30 20 DBED C=CCCN1C[C@H](CNC(=O)c2cccnc2C(N)=O)[C@@H](O)C1 958715258 IEXGPEQGWWAWJI-AAEUAGOBSA-N 318.377 -0.221 30 20 DBED CN(C(=O)C[C@H]1CCOC1)[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 958769377 DNVADCQRELGRFN-ILXRZTDVSA-N 320.389 -0.144 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1ncccn1 960829147 ZYAMSFSYOMGFKR-SDDRHHMPSA-N 315.333 -0.312 30 20 DBED N#Cc1cc(C(=O)N2C[C@H](O)[C@H](NC(=O)c3cc[nH]n3)C2)c[nH]1 961658582 KXPGWIDAYPVGNK-NEPJUHHUSA-N 314.305 -0.775 30 20 DBED C=C[C@@](C)(CC)C(=O)N1C[C@H](O)[C@H](NC(=O)c2cnnn2C)C1 962625202 CMFIGHSRMDTSNM-GMXABZIVSA-N 321.381 -0.281 30 20 DBED COCc1cc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)no1 963262398 BRFRLJAUJIJWIO-FXAINCCUSA-N 322.321 -0.718 30 20 DBED C#CCN1CC[C@H](C)[C@H](NC(=O)c2cn(C)c(=O)nc2O)C1 968639179 FPHCDCIVGZECBP-CMPLNLGQSA-N 304.350 -0.441 30 20 DBED N#CCN1CCO[C@@]2(CCN(C(=O)C[C@H]3CCC(=O)NC3)C2)C1 972411424 ZRCYCQSZEYIEFU-CJNGLKHVSA-N 320.393 -0.270 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]1CN(C)C(=O)c1cc(=O)n(C)o1 977637901 JEIRCLDTUUJVTP-ZJUUUORDSA-N 306.322 -0.189 30 20 DBED C[C@H]1C[C@@H](NCC#N)CN1C(=O)Cc1ccc(C(N)=O)nc1 989034756 GNJQEQHLASFING-CMPLNLGQSA-N 301.350 -0.174 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H](NC(=O)C(C)C)[C@@H](O)C2)nn1 991290775 GGRPAJXAYPNKFM-AAEUAGOBSA-N 321.381 -0.188 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CCN(C)C2)C1 991725933 GORIHSLNLQMGTF-HIFRSBDPSA-N 318.421 -0.637 30 20 DBED C=C(C)CN[C@H]1CCCN(C(=O)Cn2ccc(=O)n(C)c2=O)C1 999308081 PDTPPTZPLLRPNV-ZDUSSCGKSA-N 320.393 -0.296 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCC1=CCN([C@H](C)C(N)=O)CC1 1000788667 XCYUBRVEHUBYKJ-HIFRSBDPSA-N 318.421 -0.294 30 20 DBED N#Cc1c[nH]c(C(=O)NCC2CN(C(=O)Cn3cncn3)C2)c1 1001357807 RRPMZVUPHVCXJY-UHFFFAOYSA-N 313.321 -0.634 30 20 DBED C#CCN1CCC[C@H](NC(=O)c2ccc(S(N)(=O)=O)o2)C1 1007777132 UJLLPAZMTRMCQY-JTQLQIEISA-N 311.363 -0.246 30 20 DBED N#Cc1cc(C(=O)N[C@]23CCC[C@@H]2N(C(=O)C(N)=O)CC3)c[nH]1 1014252898 ZDTPMRLAYPQTAV-NHYWBVRUSA-N 315.333 -0.375 30 20 DBED CC#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)C1CC(=O)NC(=O)C1 1018059428 DISWZBMGJZFWON-BETUJISGSA-N 303.362 -0.262 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(CN(C(=O)CCc3nc[nH]n3)C2)C1 1018917524 BXCXBYYTHYOXTE-NSHDSACASA-N 316.365 -0.042 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H](NCc3ncnn3C)C2)nn1 1019483480 QXEJVOAPNGJLMU-NSHDSACASA-N 316.369 -0.403 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2CCCN([C@H](C)C(N)=O)C2)nn1 1023638155 YNLOARQGHZIMKT-VXGBXAGGSA-N 320.397 -0.220 30 20 DBED N#CCN[C@@H]1CC[C@H]2CN(C(=O)c3nnc(O)nc3O)C[C@H]21 1026304083 JWHPCSLMYZJJQV-DJLDLDEBSA-N 304.310 -0.753 30 20 DBED N#CCN[C@@H]1CC[C@H]2CN(C(=O)CCn3cnccc3=O)C[C@@H]21 1026389842 IQKLXXMENVXUHC-MELADBBJSA-N 315.377 -0.016 30 20 DBED C=C(C)CN(C)[C@H]1CCCN(C(=O)c2cn(CC(N)=O)nn2)C1 1027692524 LGSLMBGSTNNRCX-LBPRGKRZSA-N 320.397 -0.124 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2CCCN2[C@H]2CCNC2=O)nn1 1028188072 SFCOJGZSVKZTMT-AAEUAGOBSA-N 318.381 -0.453 30 20 DBED C#CCOc1ncccc1C(=O)NCC1CN(CC(=O)NC)C1 1032137087 VRLNHTUVMWHMSL-UHFFFAOYSA-N 316.361 -0.499 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2[C@H]3C[C@H]2N(Cc2nc(O)n[nH]2)C3)[nH]1 1037364027 DWQYHKYLWKZOKU-HNBZJPLGSA-N 313.321 -0.287 30 20 DBED N#CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)c1cn(-c2cccnc2)nn1 1037436593 MQFGCVIDOLURME-SWHYSGLUSA-N 309.333 -0.012 30 20 DBED C#CCN1[C@H]2CCC[C@H]1CN(C(=O)CN1C(=O)CCC1=O)C2 1039997770 SNMOBUGCOIDVKE-STQMWFEESA-N 303.362 -0.166 30 20 DBED C=CCCC(=O)N1CC[C@@](O)(CNC(=O)c2cnnc(O)c2)C1 1040126513 ARELBQAGCCRAOI-OAHLLOKOSA-N 320.349 -0.158 30 20 DBED Cn1cnn(CC(=O)N2CC[C@@H]3CCN(CC#N)[C@@H]3C2)c1=O 1042122101 LRNUBMFQZUOBCF-NWDGAFQWSA-N 304.354 -0.972 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)[C@H](C)n2cccn2)C1 1042802891 OPYHCJAOLLWMNH-ZDUSSCGKSA-N 318.377 -0.063 30 20 DBED CCn1nncc1C(=O)NCC1(O)CN(C(=O)C#CC(C)C)C1 1042906696 QEZDFJVKVGPLIK-UHFFFAOYSA-N 319.365 -0.740 30 20 DBED COC(=O)[C@@H]1C[C@H]1C(=O)N1CC(O)(CNC(=O)C#CC(C)C)C1 1042936321 DQNMXQJVBDYWGC-VXGBXAGGSA-N 322.361 -0.856 30 20 DBED Cc1nnc(CC(=O)N2CC(O)(CNC(=O)C#CC3CC3)C2)o1 1042958374 MDBZWRVZRRFZIY-UHFFFAOYSA-N 318.333 -0.977 30 20 DBED N#Cc1nccnc1N1C[C@H](O)[C@H](NC(=O)Cc2ccon2)C1 1043885296 ZXMRNMLBDCAJBI-NEPJUHHUSA-N 314.305 -0.755 30 20 DBED Cc1c[nH]nc1C(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@@H]1O 1043928781 GWWLTCVTUVZHHS-OLZOCXBDSA-N 312.333 -0.036 30 20 DBED C[C@@H]1C[C@@H](NCC#N)CCN1C(=O)CN1C(=O)CN(C)C1=O 1044850598 VLDJHUHVADJWCO-MNOVXSKESA-N 307.354 -0.627 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)CCCn2ccnc2)C1 1045564309 FUEVSBBKRXEWMZ-LBPRGKRZSA-N 319.365 -0.488 30 20 DBED C#CCN1CC[C@H](N2CCN(C(=O)c3ccc(O)nn3)CC2)C1 1045998830 DMDHMKOGKTVRDO-ZDUSSCGKSA-N 315.377 -0.353 30 20 DBED N#CCN1CC[C@@H](N2CCN(C(=O)Cc3cnoc3)CC2)C1 1046057253 XSJBYHKMRBYXJZ-CQSZACIVSA-N 303.366 -0.041 30 20 DBED N#Cc1cncc(N[C@H]2C[C@@H](CNC(=O)[C@@H]3CCNC3=O)C2)n1 1046528894 DMPZACLUECLPLE-JFGNBEQYSA-N 314.349 -0.209 30 20 DBED CC#CCN1C[C@H]2C[C@@H](NC(=O)Cn3cnnc3O)C[C@H]1C2 1047054850 GIVDTHDLHGAKFT-YNEHKIRRSA-N 303.366 -0.024 30 20 DBED C=C(C)CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCNC(=O)C2)C1 1047344544 BQTNNMDDKCLKGF-RDBSUJKOSA-N 309.410 -0.018 30 20 DBED C=CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@]2(C)CCNC(=O)C2)C1 1047429113 YAYWKVZVNQCJOG-HEHGZKQESA-N 309.410 -0.018 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CCCC(=O)N2)C1 1047451055 QSQVLTCFPPYQPY-RDBSUJKOSA-N 307.394 -0.428 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2nnc3ccccc3n2)C1 1047457939 ANWHKVNRGALABZ-KBPBESRZSA-N 311.345 -0.225 30 20 DBED C#CCCCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CNC(N)=O)C2 1047491257 LJMDMWPKTVCJPB-AVGNSLFASA-N 320.393 -0.046 30 20 DBED CN(C(=O)c1cc(C(N)=O)cs1)[C@H]1CN(CC#N)C[C@@H]1O 1047639910 QYUZBNPJMCYKJC-UWVGGRQHSA-N 308.363 -0.512 30 20 DBED C#CCNC(=O)CC(=O)N(C)[C@H]1CN(C(=O)[C@@H](C)CC)C[C@@H]1O 1048709008 OZHYDUZHNAFACL-AVGNSLFASA-N 323.393 -0.798 30 20 DBED C[C@H](C(N)=O)N1C[C@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]2C1 1048763615 BHNQRANWGNZLNB-MXWKQRLJSA-N 301.350 -0.236 30 20 DBED C=C1CC(C)(C(=O)N(C)[C@H]2CN(C(=O)CC(=O)NC)C[C@@H]2O)C1 1049494803 ORCYWOLPKDUBMP-RYUDHWBXSA-N 323.393 -0.491 30 20 DBED CNC(=O)CC(=O)N[C@H](C)[C@H]1CCN(C(=O)C#CC2CC2)C1 1050666136 OHIFCKNQYHIILC-YPMHNXCESA-N 305.378 -0.111 30 20 DBED C[C@@H]1[C@@H](NC(=O)c2nnn(C)n2)CCN1c1ccc(C#N)cn1 1050896223 DUORCHHRAFCNKT-KOLCDFICSA-N 312.337 -0.126 30 20 DBED C=CCN1CCOC[C@@H]1CNC(=O)c1cc(=O)n2[nH]cnc2n1 1051209135 IFWRGCOMRBPZMH-JTQLQIEISA-N 318.337 -0.966 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](N2CCN(Cc3cnon3)CC2)C1 1051998389 SHMVJQCBFCDJFE-JSGCOSHPSA-N 318.381 -0.052 30 20 DBED Cc1nc(C(=O)N2CCOC3(CN(CC#N)C3)C2)c(=O)[nH]c1C 1053303069 GZSQJEWRPHAISC-UHFFFAOYSA-N 317.349 -0.563 30 20 DBED C#CCCN1CC2(CC[C@H](CNC(=O)[C@H]3CCCNC3=O)O2)C1 1053613347 BLAGYPCINLSRRS-KGLIPLIRSA-N 319.405 -0.115 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)Cc3ccc(O)nc3)CO2)C1 1053873482 ZSPKCEYAHWLUCA-CYBMUJFWSA-N 301.346 -0.078 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)[C@H]3CCCN3C(C)=O)CO2)C1 1054019277 RROBJEQVEYJCPQ-LSDHHAIUSA-N 319.405 -0.020 30 20 DBED C[C@H](C#N)C(=O)N[C@@]1(CO)CCCN(C(=O)c2cnns2)C1 1056092847 FFAXAGUSASFJCK-RNCFNFMXSA-N 323.378 -0.219 30 20 DBED CC(=O)N1CC(C(=O)N2CC[C@@H](N=c3cc[nH]c(C#N)n3)C2)C1 1056618116 NJODOGUMNGQZOP-GFCCVEGCSA-N 314.349 -0.739 30 20 DBED N#Cc1cnc(N2CCCN(C(=O)Cn3cnnn3)CC2)cn1 1057093148 RNDPUWFHNFIQTC-UHFFFAOYSA-N 313.325 -0.926 30 20 DBED N#Cc1cncc(N2CCCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)n1 1057235791 IILRRBSHQQXLAO-NEPJUHHUSA-N 314.349 -0.492 30 20 DBED N#Cc1ccc(N[C@H]2C[C@H](NC(=O)[C@H]3CNC(=O)N3)C2)nn1 1059391752 IUBDFBNLWWFKAJ-OPRDCNLKSA-N 301.310 -0.911 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](CCNC(=O)CCNC(N)=O)C1 1060292721 XCTSKJLRWRHXSL-GHMZBOCLSA-N 309.370 -0.441 30 20 DBED N#Cc1nc(=NC[C@H]2CCN(C(=O)[C@H]3COC(=O)N3)C2)cc[nH]1 1060865140 LKHVFXGAKFPVMX-NXEZZACHSA-N 316.321 -0.861 30 20 DBED COCCOCC(=O)NC[C@H]1COCCN1C(=O)[C@H](C)C#N 1061436598 HNLWFTWJKLICLE-NEPJUHHUSA-N 313.354 -0.847 30 20 DBED N#Cc1ccc(N2[C@H]3CC[C@H]2CN(C(=O)Cn2cncn2)C3)nn1 1061966261 WCVIXYTUYAIHKD-STQMWFEESA-N 324.348 -0.180 30 20 DBED C=CCCCC(=O)N1CCO[C@H](CNC(=O)Cn2cnnn2)C1 1065544210 NUBATGDMAZREHF-GFCCVEGCSA-N 322.369 -0.627 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)Cc2nc[nH]n2)CCO1 1065642584 VBDHJRGUHVNBQS-LBPRGKRZSA-N 319.365 -0.650 30 20 DBED Cn1nnc(C(=O)N2C[C@H]3CC[C@H]2CN3c2ccc(C#N)nc2)n1 1068059556 WNNWDFKXDSNSKH-OLZOCXBDSA-N 324.348 -0.030 30 20 DBED C[C@@H]1[C@@H](Nc2nccnc2C#N)CCN1C(=O)Cn1ncnn1 1068902113 VNPKFXDSIWXSJM-ZJUUUORDSA-N 313.325 -0.564 30 20 DBED C=CCOCC(=O)N1CC[C@]2(CCCN(C(=O)CC(N)=O)C2)C1 1069734985 PLBUHCLNEYWCDV-INIZCTEOSA-N 323.393 -0.095 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2ccc(C)nn2)C[C@@H]1n1ccnn1 1070193951 ZJWMTULCIMHIJA-KGLIPLIRSA-N 311.349 -0.335 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)[C@@H]4CCNC(=O)C4)C[C@@]3(C1)O2 1070785655 YYQVGTZKFBNESB-UMPJEAMMSA-N 317.389 -0.553 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)CO[C@H]2CCOC2)CC1 1070962375 QAULWOLCDMPBHC-AWEZNQCLSA-N 323.393 -0.924 30 20 DBED C#CCCN1CC[C@]2(C1)CN(C(=O)Cn1ncnn1)C[C@@H](C)O2 1071168391 AHFLPCNDGQYFOB-HIFRSBDPSA-N 318.381 -0.612 30 20 DBED C#CCCN1CCC2(C1)CN(C(=O)C[C@@H]1NC(=O)NC1=O)C2 1072822523 LFCPDESLNNJRHG-NSHDSACASA-N 304.350 -0.858 30 20 DBED C=CCN1CCC2(C1)CN(C(=O)c1nccnc1C(N)=O)C2 1073415090 RIYOTGCODZZWFB-UHFFFAOYSA-N 301.350 -0.091 30 20 DBED C=CCN1CCCO[C@H](CNC(=O)[C@@H]2CCS(=O)(=O)C2)C1 1073684025 GOUACBLXCKJDIF-CHWSQXEVSA-N 316.423 -0.186 30 20 DBED CC#CCN1CCCO[C@@H](CNC(=O)[C@H]2CN(C)C(=O)N2)C1 1073726382 KJFDDRJHIIVRNU-QWHCGFSZSA-N 308.382 -0.760 30 20 DBED CCC(=O)N1CC[C@H](C(=O)NC[C@@H]2CN(CC#N)CCCO2)C1 1073848556 WJZDTNKPACYDNU-UONOGXRCSA-N 322.409 -0.024 30 20 DBED Cn1ccc(C(=O)N2CC[C@@H]3OCCN(CC#N)[C@H]3C2)cc1=O 1074280093 XWNOMJGDURZMTO-KBPBESRZSA-N 316.361 -0.176 30 20 DBED C=CCOCC(=O)N1CCC(O)(CNC(=O)CCOC)CC1 1074515796 OANFGEHWIOMIOA-UHFFFAOYSA-N 314.382 -0.305 30 20 DBED C=CCOCCCC(=O)N[C@H]1CCN(C(=O)C(N)=O)[C@H](C)C1 1074920290 XQXAQGFSZPLKMA-NEPJUHHUSA-N 311.382 -0.050 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCN(C(=O)CCOC)[C@H](C)C1 1074940561 AJJRDCUMVVRNJM-CHWSQXEVSA-N 323.393 -0.342 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CN(Cc3cnon3)C[C@H]2O)c1 1076855994 VYOUACBMFGMZEY-VXGBXAGGSA-N 302.294 -0.756 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2COc3ccccc3O2)C1 1078123280 LJUFQALLRDOBJV-GYSYKLTISA-N 303.318 -0.489 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)CN2C(=O)CCC2=O)C1 1078151590 AYTPYZMKHQJPQF-NXEZZACHSA-N 315.757 -0.951 30 20 DBED C#CCN[C@H]1C[C@H](NC(=O)c2cnc(O)n(C)c2=O)C12CCC2 1078698543 REFTYZRYBBWKDG-RYUDHWBXSA-N 316.361 -0.250 30 20 DBED CCN(C(=O)C#CC(C)(C)C)C1CN(C(=O)[C@@H]2CNC(=O)N2)C1 1079744911 SEPCBEWNTZDOPA-LBPRGKRZSA-N 320.393 -0.223 30 20 DBED CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)C[C@@H]2CC(=O)NC2=O)C1 1080421741 OWGSHEXMFKKUMJ-UWVGGRQHSA-N 320.349 -0.742 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CO)(NC(=O)[C@H]2CCOC2)CC1 1080760440 FVGICNOQPHSUBT-NEPJUHHUSA-N 309.366 -0.348 30 20 DBED C[C@@H](C#N)C(=O)NC1(CO)CCN(C(=O)c2ccn(C)n2)CC1 1080982363 YZIGHBXUXQHXOT-NSHDSACASA-N 319.365 -0.337 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)Cn2ccnc2)C[C@H]1O 1081462981 IKTJSZBYKRBLPS-UONOGXRCSA-N 318.377 -0.522 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@H]2CCn3ccnc3C2)[C@H](OC)C1 1081870556 DFYYRTJSOTYVBM-BFHYXJOUSA-N 302.378 -0.106 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCCC[C@H]1CNC(=O)c1nc[nH]n1 1082076076 NYBSUBOFVYEZQE-RYUDHWBXSA-N 319.365 -0.046 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CN2CCC1CC2 1083083717 HYVNNFGSAQYHPD-OWCLPIDISA-N 303.406 -0.127 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)Cn1nc(C)ccc1=O 1083254578 APZYCHUIOVVZIR-UONOGXRCSA-N 316.361 -0.903 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2ccc(CNC(N)=O)cc2)C1 1084043172 IAEIQRMCOITRAE-KGLIPLIRSA-N 316.361 -0.737 30 20 DBED C=CCN[C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1c1cnn(C)c1 1086981715 ZPRRMAGJAACOPG-UONOGXRCSA-N 315.381 -0.218 30 20 DBED C[C@@H](C[C@@H](C)N=c1cc[nH]cc1C#N)NC(=O)c1nnn(C)n1 1089447065 CWFOTGGOEIQJPM-ZJUUUORDSA-N 314.353 -0.092 30 20 DBED N#Cc1c(F)cccc1N1CCCO[C@H](CNC(=O)C(N)=O)C1 1089555263 PPKJXPUYTSSAPU-SNVBAGLBSA-N 320.324 -0.106 30 20 DBED Cc1nnc2ccc(C(=O)N[C@@H]3CCN(CC#N)C[C@@H]3O)cn12 1090377160 HTSCCFGDMPTLQA-OLZOCXBDSA-N 314.349 -0.274 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CN(c2ncnc3c2nnn3C)C[C@H]1C 1090685884 JDEDWGBPDZWYPL-OPRDCNLKSA-N 314.353 -0.141 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2cccnc2C(N)=O)[C@H](O)C1 1090822764 CUIZMBCLLPFLDJ-CHWSQXEVSA-N 316.361 -0.631 30 20 DBED CCc1nc(C#N)cc(N2C[C@H]3[C@H](NC(=O)CC(N)=O)[C@H]3C2)n1 1093228421 JCXNEENACWAMNZ-RTUWITSCSA-N 314.349 -0.663 30 20 DBED N#Cc1cnc(NCCNC(=O)CNC(=O)c2ccco2)cn1 1093613657 WZRPRUPEOCHPAT-UHFFFAOYSA-N 314.305 -0.101 30 20 DBED CN(C)C(=O)CCCC(=O)NCCCN=c1cc[nH]c(C#N)n1 1094506086 RDWNYJMJDZZUAE-UHFFFAOYSA-N 318.381 -0.053 30 20 DBED Cn1cnc(C(=O)NCCCNc2cnc(C#N)cn2)cc1=O 1094865197 LWGLQXPIPXSGGA-UHFFFAOYSA-N 313.321 -0.326 30 20 DBED CNC(=O)NCCC(=O)N1CC[C@@H](N=c2cc[nH]cc2C#N)C1 1095032572 QWIWAYUMYHQZAJ-GFCCVEGCSA-N 316.365 -0.293 30 20 DBED C#CCCN(CCO)C1CCN(C(=O)CCn2ccnn2)CC1 1098354925 DQWBIRJIXVLJLZ-UHFFFAOYSA-N 319.409 -0.023 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2ccccn2)[C@H](O)C1 1099617980 MVFBDMUBXGMPHV-DZGCQCFKSA-N 303.362 -0.104 30 20 DBED C#CCN1CC[C@H](NC(=O)CNC(=O)c2ccoc2C)[C@@H](O)C1 1099846700 ACEIFQOHYPQRRR-KBPBESRZSA-N 319.361 -0.498 30 20 DBED C#CCC1(C(=O)N[C@H]2CCN(CC(=O)N(C)C)C[C@@H]2O)CCC1 1099873940 CLXZORMBJAOBBQ-KBPBESRZSA-N 321.421 -0.180 30 20 DBED CC(=O)N[C@@H](C)C(=O)NCCN(C)c1nc(C)cc(C#N)n1 1099909874 FZSLQNDMWSSWDF-JTQLQIEISA-N 304.354 -0.266 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2cnc(C)n2C)[C@@H](O)C1 1099964707 QQTDZCUFYSPWLQ-ZFWWWQNUSA-N 320.393 -0.457 30 20 DBED C#CCNC(=O)CC(=O)NCCN(C)c1cc(C)nc(OC)n1 1100037695 OEEJYLQPGJBKOF-UHFFFAOYSA-N 319.365 -0.514 30 20 DBED C=CCN1CC[C@H](NC(=O)CCS(=O)(=O)N(C)C)[C@@H](O)C1 1100122674 VFYRBDKDEBKGIR-RYUDHWBXSA-N 319.427 -0.995 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1CC(NCC(=O)NC2CC2)C1 1100322427 IUNACLDSEGRQLU-DCBWTQNWSA-N 307.394 -0.212 30 20 DBED CCN(CCNC(=O)c1ncn(C)n1)c1ccnc(C#N)n1 1100512381 XTDWMFOKQOLUPX-UHFFFAOYSA-N 300.326 -0.267 30 20 DBED Cc1ccn(CC(=O)NCC2CC(NCC(=O)NCC#N)C2)n1 1100687604 CEZDJEDRPLHQHF-UHFFFAOYSA-N 318.381 -0.684 30 20 DBED C#CCNC(=O)CN1CC2(C[C@H](NC(=O)CC)c3nccn32)C1 1101599441 KQDFXXHHSZIHTM-LBPRGKRZSA-N 315.377 -0.386 30 20 DBED CCO[C@@H](C)C(=O)NC[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1101751816 DPNAPKJAXXGGFG-FRRDWIJNSA-N 310.398 -0.265 30 20 DBED C[C@@H]1CN(C)C[C@H](C(=O)N(C)CCNc2nccnc2C#N)O1 1102020724 YRJRHCXSNLQBDA-DGCLKSJQSA-N 318.381 -0.062 30 20 DBED C#CCCN1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 1103476965 FJQZHDALHBAXIO-UPJWGTAASA-N 320.393 -0.318 30 20 DBED C[C@@H](CNC(=O)CCNC(N)=O)CNc1cncc(C#N)n1 1103967538 HWROFZBGLWIZPS-SECBINFHSA-N 305.342 -0.429 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H](C)CN=c1cc[nH]c(C#N)n1 1104089398 HGHUOAHUAVEIAP-VXGBXAGGSA-N 301.350 -0.027 30 20 DBED CC(C)[C@@H](O)C(=O)NC[C@@H]1CN(c2cnc(C#N)cn2)CCO1 1104305334 MGTLWOBJHBXAHL-TZMCWYRMSA-N 319.365 -0.313 30 20 DBED C#CCNCc1cn(C2CN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C2)nn1 1105307858 BELLXIDPGKFALO-WDNDVIMCSA-N 301.350 -0.723 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)Cc2cc[nH]n2)nn1 1105762825 VZHVVJMVJMIXDL-LLVKDONJSA-N 301.310 -0.797 30 20 DBED C[C@H](C(=O)NC[C@H](O)CNc1ccc(C#N)nn1)n1cccn1 1105766748 DXLUSHJQRRETFD-ZYHUDNBSSA-N 315.337 -0.305 30 20 DBED Cc1[nH]nc(C(=O)NC[C@@H](O)CNc2ccc(C#N)cn2)c1O 1105822788 VXDWWKJIFBDAHQ-JTQLQIEISA-N 316.321 -0.107 30 20 DBED C[C@@]1(C(=O)NC[C@@H](O)CNc2cncc(C#N)n2)CCOC1 1105939550 VJPXLFGXUBFGIN-SMDDNHRTSA-N 305.338 -0.336 30 20 DBED CCN(CCNc1cnc(C#N)cn1)C(=O)[C@H]1CN(C)CCO1 1106709687 ABIZTFNKSYDZIL-CYBMUJFWSA-N 318.381 -0.061 30 20 DBED N#CCN1CC(n2cc(CNC(=O)C[C@H]3COC(=O)C3)nn2)C1 1107157578 VCVOZXHBDAOKJS-SNVBAGLBSA-N 318.337 -0.772 30 20 DBED N#Cc1ccc(NC/C=C/CNC(=O)[C@@H]2CCC(=O)N2)nn1 1107280156 IHGKQEYPXPAGSH-GXFZAYBSSA-N 300.322 -0.289 30 20 DBED N#Cc1nc(=NC/C=C/CNC(=O)C[C@H]2CCNC2=O)cc[nH]1 1107375032 MNVWRZHKBOPKFA-FMBMQGQPSA-N 314.349 -0.619 30 20 DBED N#Cc1ccc(NC/C=C\CNC(=O)[C@@H]2CNC(=O)N2)cn1 1107490339 ZWAFOHCSCHNJTE-BIOMNHJASA-N 300.322 -0.281 30 20 DBED C[C@H](CNc1nccnc1C#N)NC(=O)Cn1cnnc1O 1107726430 PVXXSJUPGXJVFW-MRVPVSSYSA-N 302.298 -0.738 30 20 DBED C[C@H](CN=c1cc[nH]cc1C#N)NC(=O)C[C@@H]1CCC(=O)N1 1107839205 VYXCXRPIPCJDTO-PWSUYJOCSA-N 301.350 -0.040 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)[C@@H](OC)c2cnn(C)c2)C1 1108100018 QFTNLYMXTRGXMI-HOCLYGCPSA-N 320.393 -0.052 30 20 DBED C[C@H](CNc1cnc(C#N)cn1)NC(=O)[C@H]1CN(C)C[C@@H](C)O1 1108191202 XBSXSDOIQRNIDA-NQBHXWOUSA-N 318.381 -0.016 30 20 DBED COc1c(C(=O)NC[C@]2(C)CN(CC#N)CCO2)cnn1C 1108369090 JSPSDWMKMWCWDG-CQSZACIVSA-N 307.354 -0.227 30 20 DBED CC(C)C#CC(=O)N[C@H]1CC(=O)N(C2CN(C[C@H](C)O)C2)C1 1108543657 ZCDIZGTXKKGGLR-STQMWFEESA-N 307.394 -0.572 30 20 DBED C[C@H](CN(C)c1cnc(C#N)cn1)NC(=O)CC(=O)N(C)C 1109263903 OBTRZUVAJRBDLB-SNVBAGLBSA-N 304.354 -0.233 30 20 DBED C#CCOCCC(=O)N(C)[C@H]1CN(c2cc(F)ncn2)C[C@@H]1O 1111190549 HTKPOIPHOUUPBJ-RYUDHWBXSA-N 322.340 -0.337 30 20 DBED CC(=O)NCC(=O)N(CCO)CCNc1nc(C)ccc1C#N 1111421800 WGMRESHQFNWRNU-UHFFFAOYSA-N 319.365 -0.369 30 20 DBED Cc1nonc1C(=O)N(CCO)CCN=c1cc[nH]c(C#N)n1 1111487071 VROABMBCFNJYEN-UHFFFAOYSA-N 317.309 -0.992 30 20 DBED N#Cc1nccnc1N1Cc2ccc(CNC(=O)C(N)=O)cc2C1 1112275863 BMGFAWNKCRAZJX-UHFFFAOYSA-N 322.328 -0.030 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)Cn2nccc2C)CC1 1113390633 MAOIJDKTBLCWDO-AWEZNQCLSA-N 317.393 -0.526 30 20 DBED C[C@@H](CNC(=O)c1nccnc1N)N(C)c1ccnc(C#N)n1 1113526071 NKUKIGLVOZNIMC-VIFPVBQESA-N 312.337 -0.025 30 20 DBED C#CCCN1CCN(C(=O)CCNC(=O)c2cnccn2)CC1 1113653011 QBFWSSXLQHRGRE-UHFFFAOYSA-N 315.377 -0.236 30 20 DBED C[C@H](CC(=O)NC[C@@H](C)N(C)c1ccc(C#N)nn1)NC(N)=O 1113719385 COYPVQUUSNEPIP-NXEZZACHSA-N 319.369 -0.264 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@H]1[C@@H]2CN(CC(=O)N3CCC3)C[C@@H]21 1114193997 KDSHTYWSVSAQIQ-OJDYBEQGSA-N 307.394 -0.408 30 20 DBED N#Cc1nccnc1N1C[C@@H]2C(CNC(=O)CC(N)=O)[C@H]2C1 1114547311 TWAWDRICKYIGMK-NXEZZACHSA-N 300.322 -0.978 30 20 DBED C[C@H]1C[C@H](CNc2ccc(C#N)nn2)CN1C(=O)CNC(N)=O 1114663549 JNOMIVNPAAAZKP-VHSXEESVSA-N 317.353 -0.335 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@@H]3C[C@@H]4C[C@@H]4C3)[C@H]2C1 1114721393 OLODGKJDEOFZTI-BJEIHFDKSA-N 301.390 -0.172 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)COc3cnn(C)c3)[C@H]2C1 1114741103 IVWBITCUYHZIJB-FOLVSLTJSA-N 318.377 -0.505 30 20 DBED Cc1ccoc1CC(=O)NC1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]12 1114809955 JHQJULZQIIROGY-VXGBXAGGSA-N 316.361 -0.183 30 20 DBED C[C@H](CCCN=c1cc[nH]c(C#N)n1)NC(=O)[C@H]1CCC(=O)N1 1114881064 CPJWYCCDPXWVNK-GHMZBOCLSA-N 316.365 -0.254 30 20 DBED C=CCn1cc(C(=O)NC2[C@@H]3CN(C[C@H](O)COC)C[C@@H]23)nn1 1114942596 NRFOEHQUANLXNP-QJPTWQEYSA-N 321.381 -0.869 30 20 DBED CC(C)[C@@H](O)C(=O)NCCOCCN(C)c1ccnc(C#N)n1 1115206578 XJTNLAGAUTZZHT-CQSZACIVSA-N 321.381 -0.066 30 20 DBED CN(CCOCCNC(=O)c1cnon1)c1cnc(C#N)cn1 1115219879 ROFXMOUMIUEUGE-UHFFFAOYSA-N 317.309 -0.386 30 20 DBED C#CCN1C[C@H]2C(NC(=O)C(C)(C)NC(=O)NCC=C)[C@@H]2C1 1115296108 LRKMAMVLXNPIOC-VXGBXAGGSA-N 304.394 -0.070 30 20 DBED COCCNS(=O)(=O)c1c[nH]c(C(=O)N(C)CC#N)c1 1116139543 XJQWJRLWDMFNKJ-UHFFFAOYSA-N 300.340 -0.465 30 20 DBED CN(CCCO)C(=O)C(=O)N1CC(Oc2ccc(C#N)cc2)C1 1117977136 XOKHWRBWZZZJOH-UHFFFAOYSA-N 317.345 -0.011 30 20 DBED N#C[C@]1(F)CCN(C(=O)C(=O)N[C@@H]2C[C@H]3CCCCN3C2=O)C1 1118104226 VYCROPNBKZWOQH-UEKVPHQBSA-N 322.340 -0.280 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CCC3(CCO3)CC2)nn1 1118116286 RSOYTZILFCZXJA-UHFFFAOYSA-N 319.365 -0.138 30 20 DBED Cc1cc(C(=O)NC[C@@H](CO)Nc2ccc(C#N)nn2)ncn1 1121311742 VUAAXVHKHCRVHQ-NSHDSACASA-N 313.321 -0.351 30 20 DBED C#CCCCCC(=O)NC[C@H](CO)Nc1ccc2nnnn2n1 1121353102 MCYUAYZGXMQZGK-LLVKDONJSA-N 317.353 -0.398 30 20 DBED C#CCNC(=O)CNC1CC2(C1)CC(NC(=O)c1cnon1)C2 1121924175 PKRGWHXXCVVAQN-UHFFFAOYSA-N 317.349 -0.550 30 20 DBED CN(C)CCCC(=O)NC[C@@H](CO)Nc1ccc(C#N)nn1 1122416077 COTWSWIPLPSRSN-LBPRGKRZSA-N 306.370 -0.421 30 20 DBED CN(C[C@H](O)CNc1ncccc1C#N)C(=O)c1cnn(C)n1 1124415018 PRNOAWZDURYYDW-LLVKDONJSA-N 315.337 -0.373 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)C[C@H](C)OC 1124606622 IHBVWOBZELBKRA-WDEREUQCSA-N 314.386 -0.483 30 20 DBED C#CCNC(=O)CC(=O)NCCNCC(=C)Br 1125978086 LGRCLTGQSXLFKG-UHFFFAOYSA-N 302.172 -0.260 30 20 DBED C=C[C@](C)(O)CC(=O)NCCNCCCNS(=O)(=O)CC 1126366031 PQWHSHGDHMIQMH-ZDUSSCGKSA-N 321.443 -0.651 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)c1cnnc(O)c1 1129992871 ZXQJEVNAAZLGAS-UHFFFAOYSA-N 319.365 -0.298 30 20 DBED COCC(=O)NCc1nc([C@H]2CCO[C@H]2CNCC#N)n[nH]1 1130173305 KPFQPZPIMLTWNI-UWVGGRQHSA-N 308.342 -0.947 30 20 DBED C#CCN[C@@H]1CCO[C@H]1C1CCN(C(=O)CC(=O)NC)CC1 1131481008 YVANQENYTKPFAD-CJNGLKHVSA-N 307.394 -0.259 30 20 DBED C=CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)CNC(=O)CC 1133969605 NEULFELZFGLAPW-NEPJUHHUSA-N 312.414 -0.312 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)C2(C(=O)NC)CC2)C1=O 1135249980 HSZFAEPOTKVHLU-LLVKDONJSA-N 308.382 -0.995 30 20 DBED C=CCN[C@@H](C)C[C@@H](C)NC(=O)Cn1ncn2nccc2c1=O 1135614378 RWUMDOHUASQEML-NWDGAFQWSA-N 318.381 -0.050 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)Cn1[nH]cc2c(=O)ncnc1-2)NCC#N 1135695540 QLQZGJYILWBAOT-VHSXEESVSA-N 317.353 -0.532 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC2(CCN(CC(=O)N(C)C)C2)C1 1147530098 GGYSQHFCEWWWDG-ZDUSSCGKSA-N 307.394 -0.353 30 20 DBED COCC#CCN1CCC2(C1)CN(C(=O)CO[C@H]1CCOC1)C2 1147540902 AFJPWZCAFOIBHU-HNNXBMFYSA-N 322.405 -0.024 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)c1cnn(CC)c1 1155950386 FQOJZGBMJZBPMU-LBPRGKRZSA-N 305.382 -0.250 30 20 DBED CC1(C)CCN(CC(=O)NCCCNCC(=O)NCC#N)C1 1166758068 BSJCKZZFJOAUKZ-UHFFFAOYSA-N 309.414 -0.546 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)c1cncc(OC)n1 1167703653 CMWUJYOKNGWLFD-NSHDSACASA-N 319.365 -0.667 30 20 DBED C#CCNCCCC[C@H](C)NC(=O)CN1CCCS1(=O)=O 1171122140 XOLYXXNFIFXNEU-ZDUSSCGKSA-N 315.439 -0.080 30 20 DBED C[C@H]1[C@@H](NCCCN2C(=O)CNC2=O)CCN1C(=O)[C@H](C)C#N 1178351514 PEJRIAIYZAYJRV-WOPDTQHZSA-N 321.381 -0.333 30 20 DBED C[C@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)c1csc(O)n1 1179370422 SMMCDHPJNWYKLA-IUCAKERBSA-N 323.378 -0.319 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2ncccn2)[C@H]1C 1179751406 NAUOSWGCKAVCBU-RYUDHWBXSA-N 301.350 -0.581 30 20 DBED COCC(=O)NCCC(=O)N1CC[C@H](CNCC#N)[C@H](C)C1 1184525277 VTFZCYCJCBZWMY-CHWSQXEVSA-N 310.398 -0.263 30 20 DBED COCC#CCN1C[C@@H]2CCN(C(=O)[C@H]3CCC(=O)NC3)[C@@H]2C1 1188413205 GSSPLCNCYGOUDK-SOUVJXGZSA-N 319.405 -0.305 30 20 DBED N#CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3cnco3)[C@@H]2C1 1188707457 VHSTTYAUZNMJNF-WDEREUQCSA-N 303.322 -0.539 30 20 DBED COCCCNC(=O)CN(C)[C@H]1CCN(C(=O)[C@@H](C)C#N)C1 1189391138 VYBSFEISTDMOEP-STQMWFEESA-N 310.398 -0.169 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)[C@H]2CCCCO2)C1 1189651210 GCMREPJZAHSYHF-UONOGXRCSA-N 307.394 -0.162 30 20 DBED C=CCNC(=O)[C@H](C)N(C)[C@H]1CCN(C(=O)CC(=O)NC)C1 1189859132 XITPMDQZUMZLQQ-RYUDHWBXSA-N 310.398 -0.654 30 20 DBED C=CCCC(=O)N[C@@H]1CN(C[C@H](C)CS(C)(=O)=O)C[C@H]1O 1191645032 DEMPSXMIRDAODD-YNEHKIRRSA-N 318.439 -0.205 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CN(CC(=O)N(C)CC2CC2)C[C@H]1O 1191853195 CHGJWNZGXFRBGD-RAIGVLPGSA-N 308.382 -0.824 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(Cc2cnn(CC)n2)C[C@H]1O 1192530387 NOODGFKFGRVUDE-NFAWXSAZSA-N 323.397 -0.714 30 20 DBED COCC#CCN(C)[C@H]1CCN(C(=O)C[C@H]2CCC(=O)N2)C1 1192800120 AZHMFEBETQIMOO-KGLIPLIRSA-N 307.394 -0.162 30 20 DBED C=CCCN(C)[C@@H]1CCN(C(=O)CNC(=O)Cn2cncn2)C1 1194238055 HFQOMGYNRIOWAX-CYBMUJFWSA-N 320.397 -0.497 30 20 DBED C#CCOCCC(=O)N1CCCN(Cc2cn(C)nn2)CC1 1195824204 MAZODEXWRJFVPO-UHFFFAOYSA-N 305.382 -0.111 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)c2cn(CC)nn2)CC1 1197632180 ZJDUGYWUKTUSSG-UHFFFAOYSA-N 320.397 -0.252 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)[C@H]2CCCC(=O)N2)CCCO1 1200767668 UZAYRHFRZBTARK-ZIAGYGMSSA-N 307.394 -0.115 30 20 DBED C#CCCNC[C@H]1CN(C(=O)CCn2cnnn2)CCCO1 1201710424 BKSFLSNZTGJSCT-ZDUSSCGKSA-N 306.370 -0.706 30 20 DBED C=CCNC(=O)[C@H](C)NC1CCN(C(=O)c2cnon2)CC1 1203022480 NYWUFOYBQWFSAK-JTQLQIEISA-N 307.354 -0.046 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)c2cnccn2)[C@H](C)C1 1205770966 JAVOLTZVJWGUSJ-MBNYWOFBSA-N 315.377 -0.335 30 20 DBED C[C@@H]1CN([C@@H]2CCN(C)C2=O)C[C@H]1NC(=O)CSCC#N 1206095743 DNEXSJVVXKGZHL-IJLUTSLNSA-N 310.423 -0.090 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)Cc2cnoc2)[C@H](C)C1 1208398828 AISVIDCRESYARF-DGCLKSJQSA-N 306.366 -0.044 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)c2ccnnc2)C1 1209795796 HGONYUOWUDJLPP-ZDUSSCGKSA-N 303.366 -0.027 30 20 DBED CC#CCN[C@@H]1CCCN(C(=O)[C@H]2CCN(C)S2(=O)=O)C1 1210060850 KSXVPGPSXOEWSV-CHWSQXEVSA-N 313.423 -0.376 30 20 DBED C#CCCCC(=O)N[C@@H]1CN([C@H]2CCN(C)C2=O)C[C@H]1OC 1212184477 ABGUFSMKRSIFQG-HZSPNIEDSA-N 307.394 -0.164 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)c2cnnc(O)c2)C[C@H]1C 1214909614 UDHYVIGBYNEFES-ZYHUDNBSSA-N 319.365 -0.466 30 20 DBED C#CCCN[C@@H]1CN(C(=O)c2cn(C)c(=O)nc2O)C[C@H]1C 1216742928 XFJHZAIIWPIQQU-ZYHUDNBSSA-N 304.350 -0.441 30 20 DBED COCC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CSCC#N 1217326273 HONNXVKHYKAUQT-UONOGXRCSA-N 323.418 -0.195 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)c2cnc(C)s2)C1 1219312179 AUHRCUAEXCRDPH-NEPJUHHUSA-N 309.391 -0.124 30 20 DBED C#CCCCCC(=O)N[C@@H]1CN(CC(=O)N2CCCC2)C[C@@H]1O 1219481877 AYGOYNCKBVVRLC-CABCVRRESA-N 321.421 -0.036 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)[C@H](OC)c2cnn(C)c2)C1 1220081401 AIIWSPYKHIFVSH-HZSPNIEDSA-N 308.382 -0.155 30 20 DBED C=CCCCC(=O)N[C@@H]1CN(C[C@H](O)Cn2cccn2)C[C@@H]1O 1220239711 QHUONSQFCIRBEN-ZNMIVQPWSA-N 322.409 -0.238 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)c2conc2C)C1 1220260228 KEILTCNJIBBARH-UHTWSYAYSA-N 322.365 -0.551 30 20 DBED NC(=O)CN1C[C@H](O)[C@H](NC(=O)CC#Cc2ccccc2)C1 1221046657 YPCCJRKUSIRJIJ-KGLIPLIRSA-N 301.346 -0.925 30 20 DBED C#CCN1CCS(=O)(=O)[C@@H](CCNC(=O)c2cncn2C)C1 1230473699 JNHQMSUUHMODHW-LBPRGKRZSA-N 324.406 -0.728 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)c1nnn(C)c1C 1231351481 XKDLGWLVLPAZLR-LBPRGKRZSA-N 318.381 -0.981 30 20 DBED COCCOC[C@@H](O)CN1CC[C@@H]1CN(C)C(=O)C#CC1CC1 1234178693 NKRZOCSELMRXFW-CVEARBPZSA-N 324.421 -0.044 30 20 DBED O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1CCC[C@H]1CO 1251956165 OLXBIMFTIOCIIE-ZFEMDRMUSA-N 308.338 -0.321 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N1CCC(C2OCCO2)CC1 1261154916 VTGZQUBDERWTNJ-LBPRGKRZSA-N 312.366 -0.085 30 20 DBED C=C(C)COCCNC(=O)C(=O)N(C)[C@@H](C)CS(C)(=O)=O 1261164061 FMVVXWIJZOKACO-NSHDSACASA-N 320.411 -0.413 30 20 DBED C#CCSCCNC(=O)C(=O)N1C[C@@H](CO)OC(C)(C)C1 1261400283 NGZWTUXMFDIRIH-NSHDSACASA-N 314.407 -0.533 30 20 DBED COC(=O)N1CCN(C(=O)C(=O)N2CCC[C@@H](C#N)C2)CC1 1262509984 CCLTVLNMBPSRMQ-NSHDSACASA-N 308.338 -0.341 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)c2coc(OC)n2)C1 1267727042 HMRXISNPLJSXBQ-JTQLQIEISA-N 306.322 -0.763 30 20 DBED N#CCNC(=O)CN1CCN(CC(=O)N2CCCCC2)CC1 1318325717 DYNANQJFDIJRHF-UHFFFAOYSA-N 307.398 -0.744 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)NCCCOCC(F)(F)F)CCO1 1323379511 VZJRDWKWWDQIFV-SECBINFHSA-N 323.271 -0.177 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@@H]1CC(=O)N(C(C)C)C1)[C@H]1CCCO1 1323783544 ZUZHQNTZKVYNBT-FRRDWIJNSA-N 321.377 -0.591 30 20 DBED C=C[C@@H]1CCCCN1C(=O)C(=O)NCC(=O)N1CCOCC1 1324522974 UWXQJVJOVCWXJF-GFCCVEGCSA-N 309.366 -0.472 30 20 DBED C=C[C@@H](COC)NC(=O)N1CCC(S(=O)(=O)NC)CC1 1324951571 HABIZNKFKAPQEX-JTQLQIEISA-N 305.400 -0.089 30 20 DBED N#C[C@H]1CC[C@@H](NC(=O)C(=O)NCCN2C(=O)CCC2=O)C1 1325963629 KTWPZQABXFKLNB-VHSXEESVSA-N 306.322 -0.940 30 20 DBED C#C[C@@H](NC(=O)C(=O)NCCOCC(F)(F)F)[C@H]1CCCO1 1327417329 GITZKXYQRKRYBI-NXEZZACHSA-N 322.283 -0.022 30 20 DBED N#Cc1cccc(NC(=O)C(=O)NCCN2CC[C@@H](O)C2)n1 1329046113 PXVJQAOOOIFTHU-LLVKDONJSA-N 303.322 -0.925 30 20 DBED COC[C@@H]1CCCN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)C1 1329452569 KJWLHJLJSFIIDT-IUODEOHRSA-N 309.366 -0.252 30 20 DBED C#CCC[C@@H](O)CNC(=O)CNS(=O)(=O)c1ccccc1 1330015512 GFCCONRWISITBB-GFCCVEGCSA-N 310.375 -0.145 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N1C[C@@H](C)[C@](C)(C(=O)OC)C1 1330269735 MXEKNTFDVDBRBZ-JRPNMDOOSA-N 312.366 -0.039 30 20 DBED CC[C@@H]1CN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)[C@H](C)CO1 1332675038 HIYNYKABGAKQST-LALPHHSUSA-N 309.366 -0.111 30 20 DBED N#CCCN1CCN(C(=O)C(=O)NCCOCC(F)F)CC1 1332748695 PDRYSJZPICTUEP-UHFFFAOYSA-N 318.324 -0.558 30 20 DBED C[C@@H](CN1CCOCC1)N(C)C(=O)C(=O)N1CCC[C@H](C#N)C1 1336473420 MCDGNLNANMBFGR-UONOGXRCSA-N 322.409 -0.072 30 20 DBED C#CC1CCN(c2nnc(CCCS(N)(=O)=O)n2C)CC1 1338339004 GCXJNDIIQSHJKG-UHFFFAOYSA-N 311.411 -0.114 30 20 DBED C[C@H]1CC(=O)NCCN1C(=O)CCN/C(O)=C1/N=CC=CC1=O 1339789516 PFAMOXRKALXIQM-PQJBRBTKSA-N 320.349 -0.360 30 20 DBED C=CCn1c(CCO)nnc1N1CCN(S(C)(=O)=O)CC1 1339880764 XCCDOQJRUQMMLE-UHFFFAOYSA-N 315.399 -0.920 30 20 DBED CS(=O)(=O)C1(CNC(=O)C(=O)N2CC[C@](F)(C#N)C2)CC1 1343247427 QOAPEFQPLFFADR-NSHDSACASA-N 317.342 -0.856 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(C)c2ncccn2)C1=O 1344499215 KWRCUPSSMQUYGZ-UHFFFAOYSA-N 303.278 -0.584 30 20 DBED C=C(C)Cn1c(CO)nnc1N1CC[C@@H]2OCC(=O)N[C@H]2C1 1346259999 NALQZKFOXFDRFX-QWRGUYRKSA-N 307.354 -0.560 30 20 DBED N#C[C@@H](CCc1ccccc1)C(=O)N(CC(N)=O)CC(N)=O 1361754312 LHLWHNDXKNVJQW-GFCCVEGCSA-N 302.334 -0.442 30 20 DBED N#Cc1ccncc1C(=O)N1CCS(=O)(=O)[C@@H]2COCC[C@H]21 1363250104 PZMQWMLUVVWIDS-CHWSQXEVSA-N 321.358 -0.019 30 20 DBED C[C@H](C#N)C(=O)N1CCN(CCNC(=O)[C@@H]2CCCN2C)CC1 1372208470 JGUIWDYLOBHKLL-KGLIPLIRSA-N 321.425 -0.499 30 20 DBED CC(C)S(=O)(=O)CC(=O)NC[C@H](C)NC(=O)[C@H](C)C#N 1377975182 XTLHIOUNEOPKEQ-ZJUUUORDSA-N 303.384 -0.410 30 20 DBED COCC(=O)NCCC(=O)NC1(CNC(=O)[C@@H](C)C#N)CC1 1379078179 DBEAPJNRRNCSAL-JTQLQIEISA-N 310.354 -0.936 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CCN(C(=O)CCCS(C)(=O)=O)C1 1385617030 YBRPZJPKBMIJSK-WDEREUQCSA-N 315.395 -0.312 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCN(C)C(=O)CNC(=O)N1CCCC1 1391832979 OVAUODBHVZNVHU-LBPRGKRZSA-N 323.397 -0.132 30 20 DBED CC(C)OCC(=O)N[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1O 1396377992 VJIGFHHDTRAJTR-CHWSQXEVSA-N 320.349 -0.387 30 20 DBED CCc1ncncc1C(=O)NC[C@@H](O)CNC(=O)[C@@H](C)C#N 1410119205 ZFXGKCMTWREZMG-UWVGGRQHSA-N 305.338 -0.594 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)C1(c2cccnc2)CC1 1410145258 BKJMRZWDQRLENV-YPMHNXCESA-N 316.361 -0.134 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@@H](CNC(=O)[C@H]2CCNC(=O)C2)C1 1414186829 ZJUMXBFEBCUQMH-WYUUTHIRSA-N 306.366 -0.317 30 20 DBED CCn1nc(C(=O)NCC2(NC(=O)[C@H](C)C#N)CC2)ccc1=O 1417182302 GMDXYYSXRWYECL-SNVBAGLBSA-N 317.349 -0.199 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)CCCn2ccnc2)C1 1428796409 SYDLVFJDYVRBRO-YNEHKIRRSA-N 319.365 -0.489 30 20 DBED CCN(CCNC(=O)c1cc(C#N)c[nH]1)Cc1nc(=O)n(C)[nH]1 1437593456 WLTACFYVFAZGQK-UHFFFAOYSA-N 317.353 -0.440 30 20 DBED CCC(=O)NCC(=O)NC[C@H](O)CNCc1ccc(C#N)cc1 1438977499 CDGLZAOGMZJCGN-CQSZACIVSA-N 318.377 -0.349 30 20 DBED CN(C)c1ncccc1NC(=O)Cn1cc(C#N)c(O)nc1=O 1442611305 JWILTPMAQWAXRS-UHFFFAOYSA-N 314.305 -0.080 30 20 DBED C[C@](O)(CNC(=O)Cn1cc(C#N)c(O)nc1=O)C(F)(F)F 1466150614 JZGDQXPGRMCYIM-JTQLQIEISA-N 320.227 -0.750 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)c2ccc(OC)o2)C1 1494781765 KEBHEPIJENZETD-LLVKDONJSA-N 305.334 -0.158 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CN(C)C(=O)c1cnn2cc[nH]c12 1511587446 TXXWFIKPVWZBCY-VHSXEESVSA-N 318.337 -0.629 30 20 DBED O=C(C#Cc1cccs1)NCCc1nnc2n1CCNC2=O 1528895076 RWGIWXCOYQXPHR-UHFFFAOYSA-N 315.358 -0.207 30 20 DBED C#Cc1cncc(C(=O)N(C)CCNC(=O)[C@@H]2C[C@H]2C(=O)O)c1 1573313868 SKYCTJGWYITNHK-CHWSQXEVSA-N 315.329 -0.028 30 20 DBED C=CCCCN[C@@H](CO)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 1573335198 OFRZVSOGHNILPA-SNVBAGLBSA-N 319.369 -0.159 30 20 DBED C#CCN1CC[C@](O)(CNC(=O)CCCCc2cnn[nH]2)C1 1574985999 QEWITJZIULJGMI-HNNXBMFYSA-N 305.382 -0.296 30 20 DBED Cn1cc(/C=C\C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[nH]2)cn1 1581767478 XLJAKQAHBVGGHT-IHWYPQMZSA-N 310.281 -0.153 30 20 DBED C=CCCn1cc(C(=O)NS(=O)(=O)[C@H](C)C(=O)O)nn1 1588817163 BTJCNFRWCUCLTE-SSDOTTSWSA-N 302.312 -0.613 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@@H](C)[C@H](C(=O)O)C2)C1=O 1588832450 OMBVMZMTKFGKHC-RKDXNWHRSA-N 323.305 -0.858 30 20 DBED N#CC1(C(=O)O)CCN(C(=O)c2cn([C@@H]3CC[C@H]3O)nn2)CC1 1601053556 ZUQYLVBRKNDFOT-GHMZBOCLSA-N 319.321 -0.196 30 20 DBED C#CCNC(=O)CN(CC)CCCNC(=O)[C@]1(F)CCOC1 1752205841 QEWBTMFCDAOLLX-HNNXBMFYSA-N 313.373 -0.307 30 20 DBED C=CCN1CCN(CCNC(=O)[C@@H](C)[C@H]2CCC(=O)N2)CC1 1752372953 MAUNSNUFSMZEJV-UONOGXRCSA-N 308.426 -0.179 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1C[C@@H](NC(=O)C2CC(OC)C2)C1 1752739708 OLJJFNPORORCHZ-AQPKCQGTSA-N 307.394 -0.214 30 20 DBED CNC(=O)NC(=O)CNC[C@H]1CCN(C(=O)C#CC(C)C)C1 1752939327 RFNZUMIKRWEHEQ-GFCCVEGCSA-N 308.382 -0.461 30 20 DBED C=CCNC(=O)[C@H](C)NCCN(C)C(=O)[C@@H]1CCC(=O)N1C 1753220459 CWAWCWOVKFOZLH-RYUDHWBXSA-N 310.398 -0.654 30 20 DBED C#CCNC(=O)CN(C)C[C@@H]1CCN(C(=O)CCCOC)C1 1753357138 RLZVFBYDHJEMIB-AWEZNQCLSA-N 309.410 -0.057 30 20 DBED C=C[C@@](C)(O)CC(=O)NC1CN(CCCS(C)(=O)=O)C1 1753375912 ZOCISMDDGUWCRL-CYBMUJFWSA-N 304.412 -0.451 30 20 DBED C#CCNC(=O)CN1CC(CNC(=O)c2ncccc2F)C1 1753413224 VQBNXAGYPKDNFN-UHFFFAOYSA-N 304.325 -0.368 30 20 DBED COCC#CCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccn(C)n1 1753420756 JZOISMKUHSYVOM-GJZGRUSLSA-N 302.378 -0.103 30 20 DBED C=CCCOCC(=O)N(C)[C@@H]1CCN([C@@H]2CCC(=O)NC2=O)C1 1753449190 DPNFSXCWSYZXOY-CHWSQXEVSA-N 323.393 -0.083 30 20 DBED COc1ccc(CC(=O)NC[C@H]2CN(CC#N)CCO2)nc1 1753653152 WAIMKHIMBHMDEA-AWEZNQCLSA-N 304.350 -0.027 30 20 DBED Cc1ccnn1CC(=O)N(C)[C@@H](C)CNCC(=O)NCC#N 1753715026 NUNPPAOTOIUJOK-LBPRGKRZSA-N 306.370 -0.732 30 20 DBED C#CCNC(=O)CNC[C@@H](C)N(C)C(=O)COc1cccnc1 1753718653 OEQCXTTXHXIVNU-CYBMUJFWSA-N 318.377 -0.354 30 20 DBED CN(C)c1nc(CNC[C@@H](O)CNC(=O)C#CC2CC2)ns1 1753911633 VDQXAWCTFHOUNW-LLVKDONJSA-N 323.422 -0.416 30 20 DBED C[C@@H](CNCCCN1C(=O)NC(C)(C)C1=O)NC(=O)[C@@H](C)C#N 1754261430 OKTSWBKSYFGWIQ-QWRGUYRKSA-N 323.397 -0.039 30 20 DBED COCC#CCNCCCN(C)C(=O)C[C@H]1CCC(=O)NC1 1754375591 IIYGQFYVPYHOIP-CQSZACIVSA-N 309.410 -0.009 30 20 DBED C=CCNC(=O)NC(=O)CN1C[C@H]2C[C@H]1[C@@H]2NC(=O)CC1CC1 1754419223 OTUWOFNUKJAZTD-TYNCELHUSA-N 320.393 -0.013 30 20 DBED C#CCN1CC(O)(CNC(=O)c2cnn(-c3ccccc3)n2)C1 1754776534 DWPJTALVUCEQGV-UHFFFAOYSA-N 311.345 -0.323 30 20 DBED C#CCNC(=O)CNC[C@H]1CN(C(=O)c2coc(C)n2)CCO1 1754999715 KUOGZPNTSPTVHH-LBPRGKRZSA-N 320.349 -0.837 30 20 DBED C#CCCN[C@]1(CO)CCCN(C(=O)C[C@@H]2CCC(=O)NC2)C1 1755082859 FAYOIXYHSQHKMW-WMLDXEAASA-N 321.421 -0.131 30 20 DBED C#CCNC(=O)CN(C)[C@@H](C)CNC(=O)c1[nH]c(C)nc1C 1755316049 CCBAZPNWGSZZQR-JTQLQIEISA-N 305.382 -0.174 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H](C)CN(C)C(=O)c1[nH]cnc1C 1755619978 KWBVYGIYULFLGY-JQWIXIFHSA-N 305.382 -0.094 30 20 DBED C=CCNC(=O)CN[C@H](CO)CNC(=O)c1ccc(C)c(C)n1 1755632304 DQTQUOHEGMREIF-ZDUSSCGKSA-N 320.393 -0.319 30 20 DBED C=C(C)CCN[C@H](CO)CNC(=O)[C@@H]1CCS(=O)(=O)C1 1755633145 OORHXOGASSMFIC-NEPJUHHUSA-N 304.412 -0.546 30 20 DBED C#Cc1ccc(C(=O)NC[C@H](CO)NCc2cnon2)cc1 1755634106 HWWOYUWYEVOABC-CQSZACIVSA-N 300.318 -0.069 30 20 DBED CC#CCN1CCC[C@H](NC(=O)CCS(=O)(=O)NC)[C@H]1C 1755717320 FTKTVJKFZCVIPH-OLZOCXBDSA-N 315.439 -0.082 30 20 DBED CN(C[C@@H](O)CNCC#N)C(=O)c1cc(C(F)(F)F)n(C)n1 1755781658 YEFLOTYJVMCOHO-QMMMGPOBSA-N 319.287 -0.015 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H](CO)NC(=O)c1cccn1CC 1756521510 RLPDMUXKVGLRJE-OLZOCXBDSA-N 321.377 -0.247 30 20 DBED C=C[C@@](C)(O)CC(=O)N(C)C[C@@H](O)CN(C)C(=O)c1cn[nH]c1 1756682855 DUODKFGLRYUGGK-IUODEOHRSA-N 324.381 -0.372 30 20 DBED C#CCOCCC(=O)N[C@@H]1CC[C@H](C)N(C(=O)CNC(N)=O)C1 1756792944 IKVWKYHKBHRKIA-NWDGAFQWSA-N 324.381 -0.810 30 20 DBED C#CCC1(C(=O)N2CCCO[C@@H](CNC(=O)C(N)=O)C2)CCC1 1756843613 PDFOGHBJAZMRTR-LBPRGKRZSA-N 321.377 -0.601 30 20 DBED CN(C[C@@H]1CCCCN1C(=O)c1ccc(C#N)[nH]1)C(=O)C(N)=O 1757547443 JCRFSKHOEXLAIN-NSHDSACASA-N 317.349 -0.175 30 20 DBED N#CCOc1ccc(CC(=O)N2CCC(O)(C(N)=O)CC2)cc1 1771692794 RKNGWINBDFSBJX-UHFFFAOYSA-N 317.345 -0.030 30 20 DBED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)C[C@@H]21 1790790101 VCFNHJOJHVTYND-AJNGGQMLSA-N 319.405 -0.307 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)[C@H](C)CC 1793400258 VHNKYKMYZVMQQH-GGUBGCTKSA-N 308.378 -0.384 30 20 DBED N#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C=CCN1)C2 1795418297 AGAXDEFOIOUBCV-XFMPKHEZSA-N 318.377 -0.592 30 20 DBED CO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC#N 1795420795 HDLVVBJUXVTDJT-NRWUCQMLSA-N 309.366 -0.085 30 20 DBED C#CC(=O)N1CCC2(CCCN(C(=O)CNC(=N)N)C2)CC1 1809696564 HATLSVANOVWEEU-UHFFFAOYSA-N 305.382 -0.666 30 20 DBED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)[C@H]2CCCCO2)C1 1841105502 DKOHSSUJRRVFGY-GFCCVEGCSA-N 320.345 -0.153 30 20 DBED N#CC1(C(=O)N2CCCC23CN(C(=O)CNC(N)=O)C3)CC1 1842809955 PDVBRBOKIJUJKL-UHFFFAOYSA-N 305.338 -0.838 30 20 DBED N#CCCC(=O)N1CC2(CCCN2C(=O)[C@H]2CNC(=O)C2)C1 1845997616 ZFKZHYWXGYCXST-LLVKDONJSA-N 304.350 -0.370 30 20 DBED N#Cc1cc(NC(=O)C(=O)N2CC[C@H](C(N)=O)C2)ccc1F 77540251 GNDVHHDZKUDQDP-QMMMGPOBSA-N 304.281 -0.030 30 20 DBED CC[C@H](CC#N)NC(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1 183969913 GTNMCRDCZSSNSJ-NXEZZACHSA-N 313.383 -0.105 30 20 DBED C=CCNC(=O)CN(CCC)[C@@H](CC(=O)NCCC)C(N)=O 272753478 MRODUZJLWHIPCP-LBPRGKRZSA-N 312.414 -0.229 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)OCc2ccn(C)n2)C1=O 273253661 CPLWCVJXSUSMQW-UHFFFAOYSA-N 306.278 -0.560 30 20 DBED C=C[C@@H](CO)NS(=O)(=O)c1ccc(S(C)(=O)=O)nc1 290307833 XZKJFVRONNIMRG-QMMMGPOBSA-N 306.365 -0.690 30 20 DBED C=CCNC(=O)CNC(=O)[C@H](CNC(=O)OC(C)(C)C)OC 290344756 HBWBTWYONQONPJ-JTQLQIEISA-N 315.370 -0.056 30 20 DBED Cn1nnnc1SCC/C(O)=N/CC(=O)N1CCOCC1 329237280 OXXBPZYCOUOXSO-UHFFFAOYSA-N 314.371 -0.492 30 20 DBED C[C@H](CN1CCN(C)CC1)/N=C(/O)N[C@@H]1CCC(=O)N(C)C1 329651644 CWZHYBUCOXAFSO-CHWSQXEVSA-N 311.430 -0.253 30 20 DBED CN1CCO[C@@H]2CN(/C(O)=N/[C@H]3CCc4ncnn4C3)C[C@@H]21 329676105 UQAJMRCKRWQCAL-SDDRHHMPSA-N 306.370 -0.478 30 20 DBED CN1CCN(C(=O)CC/N=C(/O)N2CC[C@@H](CCO)C2)CC1 330941085 YFPPOFKOKKBXFF-ZDUSSCGKSA-N 312.414 -0.231 30 20 DBED COc1cc(C/N=C(/O)N2CC[C@H](S(N)(=O)=O)C2)ccn1 331054277 JTCFUQVZAOJMSJ-JTQLQIEISA-N 314.367 -0.133 30 20 DBED CNS(=O)(=O)NC1CCN(/C(O)=N/[C@H](C)CCOC)CC1 331234215 KKLWXHVTKPUPLH-SNVBAGLBSA-N 322.431 -0.156 30 20 DBED CN1CCC[C@H](N(C)S(=O)(=O)N2CCO[C@@H](C#N)C2)C1 337053426 AJYUFVGSPBDRAG-RYUDHWBXSA-N 302.400 -0.518 30 20 DBED CN([C@@H]1CCCC[C@H]1O)S(=O)(=O)N1CCO[C@@H](C#N)C1 337181865 MTPRLHTUBQSERM-QJPTWQEYSA-N 303.384 -0.309 30 20 DBED C=CCNC(=O)CNC(=O)COCCNC(=O)c1ccccc1 345267976 QSHLMKAULYCHLF-UHFFFAOYSA-N 319.361 -0.149 30 20 DBED C[C@@](O)(CNC(=O)c1cnccc1C#N)CN1CCOCC1 362869187 RSTQXCTYUFKPPU-OAHLLOKOSA-N 304.350 -0.234 30 20 DBED CCN1C(=O)[C@H]2CN(CCC(=O)N(C)CCC#N)CCN2C1=O 378420819 WZVRBGNQILDNHZ-GFCCVEGCSA-N 321.381 -0.283 30 20 DBED COC(=O)[C@@H]1CN(C)CCN(S(=O)(=O)CC2(C#N)CC2)C1 416581892 JUKVWCRTDXIZCT-LLVKDONJSA-N 315.395 -0.343 30 20 DBED C[C@@H](CN)NC(=O)C(=O)N1CC(Oc2ccc(C#N)cc2)C1 420011923 HKIBRABXVAARFX-JTQLQIEISA-N 302.334 -0.389 30 20 DBED C=CCn1cc(CNC(=O)C(C)(C)NS(C)(=O)=O)nn1 424907456 JMYNQQILTAVQKC-UHFFFAOYSA-N 301.372 -0.592 30 20 DBED C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@H]1[C@@H]3O 425902179 UTQXDJPLDLBFFW-UDSBVESLSA-N 320.389 -0.079 30 20 DBED C#CCN1CCN(C(=O)CN2CCC3(CC2)COC(=O)N3)CC1 490949016 HZEBAWKQXKEUHE-UHFFFAOYSA-N 320.393 -0.662 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)CCC(=O)NCCC)CC1 491179612 GOMYWEYOYVWAFS-UHFFFAOYSA-N 322.409 -0.814 30 20 DBED C#CCN(C)C(=O)C(=O)N1CCN(c2ccc(F)cn2)CC1 491730518 PEWYLLBSYBTYQH-UHFFFAOYSA-N 304.325 -0.039 30 20 DBED COC(=O)N1CCN(S(=O)(=O)N(C)C[C@@H](C)C#N)CC1 495709963 DEANLKTUQJGXFF-JTQLQIEISA-N 304.372 -0.293 30 20 DBED CCC[C@H](C#N)NC(=O)c1nc(N)nc(N2CCOCC2)n1 516974146 SFWGQHSHKWJSDA-SECBINFHSA-N 305.342 -0.288 30 20 DBED CC(C)(C)NS(=O)(=O)CCNC(=O)N1CCO[C@H](C#N)C1 519291766 DPXJFNFVOYPFNX-SNVBAGLBSA-N 318.399 -0.362 30 20 DBED CCS(=O)(=O)N1CCN(C(=O)NCC2(C#N)CC2)CC1 577689984 PRIMTEFSIPGLNP-UHFFFAOYSA-N 300.384 -0.033 30 20 DBED CO[C@H](C)CNC(=O)CNS(=O)(=O)c1cccc(C#N)c1 589492486 RDWKPKMYEDXVBO-SNVBAGLBSA-N 311.363 -0.012 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1C[C@@H](O)C[C@H](C(=O)OC)C1 592196919 CVEUXWDWUNNKPN-DCAQKATOSA-N 313.354 -0.758 30 20 DBED CCN1C[C@H](CNS(=O)(=O)N(C)[C@@H](C)CC#N)CC1=O 593642028 XDLRDRGJKMHWPJ-QWRGUYRKSA-N 302.400 -0.077 30 20 DBED CN(Cc1cccc(C#N)c1)C(=O)C(=O)NC[C@@H]1COCCN1 599961910 IXSQGZUBEARYFZ-CQSZACIVSA-N 316.361 -0.379 30 20 DBED N#CCc1ccccc1S(=O)(=O)NCCN1CCNCC1 601339061 SFRWEMMRDOTRNY-UHFFFAOYSA-N 308.407 -0.064 30 20 DBED C[C@H](O)[C@@H]1CCCN(C(=O)C(=O)N2CCN(CCC#N)CC2)C1 601436707 KBDIFRHKNHAVIB-UONOGXRCSA-N 322.409 -0.336 30 20 DBED N#CCCn1ccc(NC(=O)NCC(=O)N2CCOCC2)n1 611453382 RBVNRNYEBYCVTA-UHFFFAOYSA-N 306.326 -0.223 30 20 DBED N#C[C@@]1(F)CCN(C(=O)NCCN2CCCS2(=O)=O)C1 615536592 DYDOTHAOEIZQHF-NSHDSACASA-N 304.347 -0.331 30 20 DBED N#CCNC(=O)COC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 731240780 RNQAMQLWJUUTMQ-SSDOTTSWSA-N 307.228 -0.420 30 20 DBED COC(=O)CNC(=O)COC(=O)Cc1ccc(OCC#N)cc1 732366639 ICVHWKFETDBCJG-UHFFFAOYSA-N 320.301 -0.036 30 20 DBED NC(=O)CON=C1C(=O)Nc2cc(N3CCOCC3)ccc21 771571503 BXPSSZSJLRPBRZ-UHFFFAOYSA-N 304.306 -0.319 30 20 DBED C#C[C@@H](NC(=O)N1CCN(S(C)(=O)=O)CC1)[C@@H]1CCCO1 773563102 VOFCDANUYLYVQG-NEPJUHHUSA-N 315.395 -0.546 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N1CCS(=O)(=O)C[C@H]1C 783012138 RHPZFHFRSXNLMN-SNVBAGLBSA-N 324.424 -0.584 30 20 DBED COC[C@@H](C)NC(=O)NC(=O)COC(=O)c1c[nH]c(C#N)c1 786906716 PYZWWXOCEBTAAW-MRVPVSSYSA-N 308.294 -0.096 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)c1ccoc1CC(N)=O 803944517 VOAMWEKQHXPGNC-UHFFFAOYSA-N 309.278 -0.524 30 20 DBED C#CCOCCNC(=O)N1CCc2c(nnn2CCOC)C1 814380479 GXMWBEGKVCZGOQ-UHFFFAOYSA-N 307.354 -0.358 30 20 DBED Cc1nn(CC(=O)OCCNc2ncccc2C#N)c(=O)n1C 847639293 BJNZTISIPIMVLE-UHFFFAOYSA-N 316.321 -0.188 30 20 DBED C=CCC1(S(=O)(=O)NC(=O)Cn2nc(C)n(C)c2=O)CC1 847712356 WPUSUBMUUGJBRD-UHFFFAOYSA-N 314.367 -0.555 30 20 DBED C#CCOCCOC(=O)C(=O)c1cc(S(N)(=O)=O)cn1C 853916230 CQBBVPLSQJSYCT-UHFFFAOYSA-N 314.319 -0.952 30 20 DBED C#CCN1CCC(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2OC)CC1 855477135 VQHAQVBKOKYIQB-CHWSQXEVSA-N 314.407 -0.740 30 20 DBED Cn1cc(N2C[C@H](C(=O)N[C@H]3CCCN(O)C3=O)CC2=O)cn1 861827302 HSMLZIYPFLWKCE-KOLCDFICSA-N 321.337 -0.731 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)N=c2cc[nH]cc2)CC1 871739031 ZWNZEJWYQFHIRV-UHFFFAOYSA-N 323.378 -0.879 30 20 DBED CN(C)c1ncc(C=NN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C=C[C@H]3O2)n1C 872424057 CJHSTPUMLYAQTJ-DDHJBXDOSA-N 315.333 -0.242 30 20 DBED C#CCN1CCC[C@H](NC(=O)CCCN2C(=O)CNC2=O)C1 923592104 KHJIRYBZDKCVDB-LBPRGKRZSA-N 306.366 -0.468 30 20 DBED Cc1c(C(=O)N(C)[C@@H]2CCN(C(=O)[C@H](C)C#N)C2)nnn1C 939396557 JXVGXCBLNURUFC-MWLCHTKSSA-N 304.354 -0.044 30 20 DBED CO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1NC(=O)Cn1cncc1C 943268247 WOEBBYUICZRLEQ-CYZMBNFOSA-N 319.365 -0.307 30 20 DBED COc1nc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2OC)co1 943710373 GUHQXSAHGAUOHK-IQJOONFLSA-N 322.321 -0.202 30 20 DBED C[C@H]1CN(C(=O)CC(N)=O)CC[C@@H]1NC(=O)c1c[nH]c(C#N)c1 945228352 ROEIUMJDONJEGI-CABZTGNLSA-N 317.349 -0.271 30 20 DBED CCN1CCOC[C@H]1C(=O)NC1CCN(C(=O)[C@H](C)C#N)CC1 948102580 PDAOLQJVKORONR-OCCSQVGLSA-N 322.409 -0.026 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H]2CNC(=O)[C@H]2CCOC2)nn1 949041662 FYMSLZHGOCPRFL-RYUDHWBXSA-N 319.365 -0.169 30 20 DBED C#Cc1cncc(C(=O)NCC2CCN(C(=O)C(N)=O)CC2)c1 949377606 JOSJBHOQLXNYIF-UHFFFAOYSA-N 314.345 -0.483 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)[C@@H](C)OC 950752784 DLWXTIXEQHOGRL-MCIONIFRSA-N 307.394 -0.164 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]1CNC(=O)c1ccc(C(N)=O)cn1 950811787 YQZPAMXLTCBJOF-ONGXEEELSA-N 315.333 -0.329 30 20 DBED C[C@H](C#N)C(=O)N1CCC(C)(NC(=O)[C@@H]2CCNC2=O)CC1 956444883 PMYDMVBGXGXHGL-GHMZBOCLSA-N 306.366 -0.221 30 20 DBED C#CCCN1C[C@@H](O)[C@@H](CNC(=O)c2ccn(C)c(=O)c2)C1 958184197 WXRDRAGYQZCJAW-UONOGXRCSA-N 303.362 -0.569 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](CNC(=O)c2ccc(=O)n(CC)n2)C1 958494381 OZMYFWZPQHKBJR-OCCSQVGLSA-N 320.393 -0.138 30 20 DBED C=C(C)CN1C[C@H]2C(NC(=O)CN3CCCS3(=O)=O)[C@@H]2C1 960188532 ZRGKWSDNGCYPOU-VXGBXAGGSA-N 313.423 -0.356 30 20 DBED O=C(CC1CCOCC1)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 961975142 RZQRUWFKJJEWLW-CABCVRRESA-N 320.389 -0.096 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2COC3(C2)CN(C(C)=O)C3)nn1 965713695 VYKFSZMOIJVMBT-NSHDSACASA-N 305.338 -0.416 30 20 DBED C[C@@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)C[C@H]1CCNC1=O)C2 969812238 WFAMYMNFQRTUHS-RNJOBUHISA-N 318.377 -0.126 30 20 DBED C[C@H](NC(=O)c1cnc2c(c1)NC(=O)CO2)C1CN(CC#N)C1 970066139 GKESYEHKOJHMCT-VIFPVBQESA-N 315.333 -0.014 30 20 DBED Cn1cnc(C(=O)N2CC[C@@H]3CN(C(=O)C#CC4CC4)[C@@H]3C2)n1 972083880 MJYAOYCLVBTLJY-CHWSQXEVSA-N 313.361 -0.099 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](N(C)Cc2nnnn2C)C1 972375109 ZKVAQDSLRQLAQK-XQQFMLRXSA-N 320.397 -0.166 30 20 DBED C[C@@H](C(N)=O)N1CCO[C@@]2(CCN(C(=O)C#CC3CC3)C2)C1 972381512 NLNWWNVITYCHHI-LRDDRELGSA-N 305.378 -0.423 30 20 DBED Cn1cc(C(=O)N2CC[C@@]3(CN(CC#N)CCO3)C2)nc1O 972532117 OUTYYMCYLGIFNY-CQSZACIVSA-N 305.338 -0.434 30 20 DBED COc1c(C(=O)N2CC[C@]3(CN(CC#N)CCO3)C2)cnn1C 972654281 OEAMSSHHAGWMPJ-HNNXBMFYSA-N 319.365 -0.131 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)CC(N)=O 977810662 UDFLQUWQVNVNGR-XQQFMLRXSA-N 323.393 -0.098 30 20 DBED C#CCN1C[C@@H]2C(CNC(=O)[C@@H]3CCc4nnnn4CC3)[C@H]2C1 978740015 LCTUSBLWIXGQOL-MRVWCRGKSA-N 314.393 -0.447 30 20 DBED CC#CCN1C[C@H]2[C@H](CNC(=O)c3cn(C)c(=O)n3C)[C@H]2C1 979092784 VARFOLSVVWVPIA-XYYAHUGASA-N 302.378 -0.345 30 20 DBED C=CCCn1cc(C(=O)N2CCCN([C@H](C)C(N)=O)CC2)nn1 982143209 PUCSYXHCSZSZMK-GFCCVEGCSA-N 320.397 -0.124 30 20 DBED C=C(C)CN[C@@H]1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)[C@@H]1C 987104762 RYTURCWSCFVFGN-DGCLKSJQSA-N 320.393 -0.147 30 20 DBED N#Cc1ccc(C(=O)NC2CN(C(=O)C[C@H]3CCNC3=O)C2)[nH]1 990896732 RTVLJWBPDLXCDS-SECBINFHSA-N 315.333 -0.647 30 20 DBED C=CCn1cc(C(=O)NC2CN(C(=O)[C@]3(C)CCOC3)C2)nn1 991674604 ZWMWNQKVCVCNIU-OAHLLOKOSA-N 319.365 -0.169 30 20 DBED C#CCN[C@H]1CCCN(C(=O)c2ccc(S(N)(=O)=O)o2)C1 999597897 RNTOLEWLTYDYTA-JTQLQIEISA-N 311.363 -0.246 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)CN2CCCCCC2=O)C1 1000144384 MXMQJZHMXZGTSA-NSHDSACASA-N 306.366 -0.124 30 20 DBED N#CCN1CCC[C@@H]1C1CCN(C(=O)[C@H]2CNC(=O)N2)CC1 1004530217 PBRUMLJHNPQSDJ-CHWSQXEVSA-N 305.382 -0.106 30 20 DBED O=C1NCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C#CC1CC1 1004925880 CRCNZOXVXFMTRQ-SYQHCUMBSA-N 315.373 -0.216 30 20 DBED C[C@H](NC(=O)[C@H]1CCC(=O)NC1)C1CN(C(=O)C#CC2CC2)C1 1006375298 NWTVANAYEWIWBC-AAEUAGOBSA-N 317.389 -0.111 30 20 DBED N#Cc1cc(C(=O)N2CCN(C(=O)[C@H]3CCNC3=O)CC2)c[nH]1 1011026860 LVJLCBTUFYDTFP-LBPRGKRZSA-N 315.333 -0.693 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(C1)CN(C(=O)[C@H]1CCNC(=O)C1)C2 1018936688 VCRUDUUAXUKYBD-RYUDHWBXSA-N 318.377 -0.267 30 20 DBED C=C1CC(C)(C(=O)N2CC[C@@H]3OCCN(C(=O)C(N)=O)[C@H]3C2)C1 1019921632 IODFZEHJMXDDQN-RYUDHWBXSA-N 321.377 -0.344 30 20 DBED C[C@H]1[C@@H](NC(=O)c2cn(C)c(=O)cn2)CCN1C(=O)[C@H](C)C#N 1020535878 SZXMEAQDLATPJB-VWYCJHECSA-N 317.349 -0.341 30 20 DBED N#CCN1CCC[C@@H]1CNC(=O)c1ccc(S(N)(=O)=O)o1 1027994074 GRAZAORDJFDITJ-SECBINFHSA-N 312.351 -0.355 30 20 DBED Cn1nnc(C(=O)NCC2CN(Cc3ccccc3C#N)C2)n1 1031904636 IMTKURZOTKZZLF-UHFFFAOYSA-N 311.349 -0.056 30 20 DBED C=C(C)CN1CC[C@@H](N(C)C(=O)c2cn(C)c(=O)n(C)c2=O)C1 1033474403 RFAPATHYVGWRPL-GFCCVEGCSA-N 320.393 -0.194 30 20 DBED C=C(C)CN[C@H]1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)CC1 1034649696 PQWQCPCRUJQPCJ-HAQNSBGRSA-N 320.397 -0.030 30 20 DBED C=CCN1CCO[C@H](CNC(=O)[C@@H]2CCS(=O)(=O)C2)C1 1035437800 IOSFHZSYQOVCDQ-VXGBXAGGSA-N 302.396 -0.576 30 20 DBED N#CCN1CCO[C@H](CNC(=O)c2nc3ncccn3n2)C1 1035549550 PEJLHKXKIAGFIL-SNVBAGLBSA-N 301.310 -0.922 30 20 DBED C=C(C)CN1CCO[C@@H](CNC(=O)[C@H]2CCS(=O)(=O)N2)C1 1035614162 NSOYTCZVHXTRPA-NWDGAFQWSA-N 317.411 -0.929 30 20 DBED C=CCN[C@H]1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)C[C@H]1C 1036216669 DOUNJCBTOUSRCO-OLZOCXBDSA-N 320.393 -0.061 30 20 DBED N#Cc1cc(C(=O)NC[C@@H]2CCN2CCN2CCNC2=O)c[nH]1 1038173791 CFLJRWJJBZBRSJ-ZDUSSCGKSA-N 316.365 -0.284 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@]1(O)CCN(C(=O)C(F)F)C1 1039722203 SYUIDGNMGHHMAT-ZANVPECISA-N 304.293 -0.631 30 20 DBED C#CCCCC(=O)N1CC[C@](O)(CNC(=O)[C@H]2CCOC2)C1 1040049149 KLAUTECYAZAHAJ-BBRMVZONSA-N 308.378 -0.094 30 20 DBED C#CCOc1ncccc1C(=O)NC[C@]1(O)CCN(C(C)=O)C1 1040421682 ZFFSKVGSHZTEHN-MRXNPFEDSA-N 317.345 -0.193 30 20 DBED C=CCOCC(=O)N1CC[C@@](O)(CNC(=O)c2c[nH]nc2C)C1 1040460054 BTCBXVZNAQIGHA-OAHLLOKOSA-N 322.365 -0.386 30 20 DBED C=C(C)CCC(=O)N1CC[C@](O)(CNC(=O)c2nc[nH]n2)C1 1040548881 BDTYTQWBJGSPQT-AWEZNQCLSA-N 307.354 -0.146 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)c3ccncc3)C2)nn1 1040910035 QJWNBMMVHICFFO-CHWSQXEVSA-N 310.317 -0.277 30 20 DBED CC(C)(F)C(=O)N1CC(O)(CNC(=O)CSCC#N)C1 1041567964 CDWVCUGVTBUWOS-UHFFFAOYSA-N 303.359 -0.319 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)C[C@H]2CCCO2)C1 1041654586 GWMXTEOQOMHQHB-QWHCGFSZSA-N 324.377 -0.717 30 20 DBED N#Cc1cc(C(=O)NCC2(O)CN(C(=O)c3cnco3)C2)c[nH]1 1042672490 RXEDPMGGECNETH-UHFFFAOYSA-N 315.289 -0.509 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)C(C)(C)F)C1 1043032675 FFNZYONADIYKKI-UHFFFAOYSA-N 300.330 -0.536 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)C[C@H]2C[C@H]2C)C1 1043036173 LLUDQYJAQQYUNY-CHWSQXEVSA-N 308.378 -0.238 30 20 DBED N#Cc1cnccc1N1C[C@H](O)[C@H](NC(=O)c2cnccn2)C1 1043834925 MWUNMHKMQRGSHE-OCCSQVGLSA-N 310.317 -0.277 30 20 DBED C#Cc1ccc(C(=O)NCC2(O)CN(C(=O)[C@@H](C)OC)C2)cn1 1044255389 ZGELZPZXANUXAD-LLVKDONJSA-N 317.345 -0.599 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2c[nH]nc2C)C1 1044351214 RWISUSXNXYQWKQ-NSHDSACASA-N 322.365 -0.388 30 20 DBED COCCC(C)(C)C(=O)NCC1(O)CN(C(=O)[C@@H](C)C#N)C1 1045637689 QPHHZKIYTNUWGE-NSHDSACASA-N 311.382 -0.102 30 20 DBED N#CCN1CC[C@@H](N2CCN(C(=O)c3cnnc(O)c3)CC2)C1 1046036802 GIGHMGDSXMHJLV-CYBMUJFWSA-N 316.365 -0.462 30 20 DBED C#CCN1CC[C@H](N2CCN(C(=O)c3nonc3C)CC2)C1 1046089292 BEQFWLNIUIWVJS-ZDUSSCGKSA-N 303.366 -0.157 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3ncncc3C2)C1 1047407766 OXNWFTICSILOEF-KCXAZCMYSA-N 314.389 -0.282 30 20 DBED C=CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(=O)n(CC)n2)C1 1047569948 NWWZGSXJABYUHV-KBPBESRZSA-N 320.393 -0.044 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)Cn2c(C)cc(C)nc2=O)C1 1047577013 XBIHTNKOFKHDKM-KBPBESRZSA-N 320.393 -0.450 30 20 DBED C#CCO[C@H](C)C(=O)N(C)[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 1048853122 YONTUAKFWJJEMD-SNPRPXQTSA-N 318.373 -0.532 30 20 DBED C=CCCOCC(=O)N(C)[C@H]1CN(C(=O)c2cocn2)C[C@@H]1O 1049008056 XNMWKKMCGRNHPZ-STQMWFEESA-N 323.349 -0.089 30 20 DBED C=C(Cl)CN1CCOC[C@H]1CNC(=O)[C@H]1CN(C)CCO1 1050859549 SGFAJXCYOUKLKI-CHWSQXEVSA-N 317.817 -0.114 30 20 DBED C=C(C)CCN1CC2(C1)CN(C(=O)CS(C)(=O)=O)CCO2 1053178089 GTBUOJVUNQJMIO-UHFFFAOYSA-N 316.423 -0.090 30 20 DBED C#CCN1CC2(C1)CN(C(=O)C(=O)Nc1cc(C)on1)CCO2 1053531508 PXJWLGKYOPAJFM-UHFFFAOYSA-N 318.333 -0.532 30 20 DBED C=CCN1CC2(CC[C@@H](CNC(=O)[C@@H]3COCCN3C)O2)C1 1053592819 SAQZSMQUDQAJAN-KBPBESRZSA-N 309.410 -0.147 30 20 DBED C#CCCCC(=O)N1C[C@H]2CN(C(=O)[C@@H]3COC(=O)N3)C[C@H]2C1 1055306817 HDBKRLNPOUALCR-XQQFMLRXSA-N 319.361 -0.185 30 20 DBED C[C@@H](CC(N)=O)C(=O)N1C[C@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2C1 1055415874 KHZPUNIVNNLLDC-WHOHXGKFSA-N 306.366 -0.426 30 20 DBED C[C@H](C#N)C(=O)N[C@]1(CO)CCCN(C(=O)c2ccnn2C)C1 1056093329 JXNPNDHSZXXTFX-IAQYHMDHSA-N 319.365 -0.337 30 20 DBED C#CCNC(=O)CC(=O)N(CCO)CCNC(=O)C[C@H]1C[C@@H]1C 1057394843 BHVDUNSQAVVWBH-QWHCGFSZSA-N 323.393 -0.891 30 20 DBED Cc1cc(C#N)nc(N2CC[C@H](NC(=O)c3cnnn3C)C2)n1 1058350621 POXITISLJFMUCH-JTQLQIEISA-N 312.337 -0.206 30 20 DBED C=CCCCC(=O)N(CCO)CCNC(=O)CNC(=O)NC 1058626245 BCULDARTPPHFHZ-UHFFFAOYSA-N 314.386 -0.791 30 20 DBED COC(=O)NCC(=O)NC[C@@H]1COCCN1C(=O)C#CC1CC1 1061356075 BLSQVPROTZAIRZ-GFCCVEGCSA-N 323.349 -0.901 30 20 DBED C=CCCC(=O)NC[C@H]1COCCN1C(=O)[C@H]1CN(C)C(=O)N1 1061401630 KENDHGLLTCURBC-NWDGAFQWSA-N 324.381 -0.680 30 20 DBED C=CCCC(=O)NC[C@@H]1COCCN1C(=O)c1cnnn1C 1061407498 QKUBWJXJWLSVEE-LLVKDONJSA-N 307.354 -0.262 30 20 DBED N#Cc1nccc(N2CC[C@@H](CNC(=O)[C@H]3CCC(=O)N3)C2)n1 1061540022 VNNITINFHCKOAO-WDEREUQCSA-N 314.349 -0.431 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)Cc1ncc[nH]1 1061846058 BFFDMLMVUTYYTA-WDEREUQCSA-N 305.338 -0.545 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)CCc1cnn[nH]1 1061912002 MQUXBLBATMQZQU-ZYHUDNBSSA-N 320.353 -0.759 30 20 DBED CN(C(=O)[C@@H]1CCC(=O)N1)[C@H]1CCN(c2nccnc2C#N)C1 1062960505 WNZJNXMWJSGUJB-QWRGUYRKSA-N 314.349 -0.336 30 20 DBED C=CCO[C@H](C)C(=O)NCC1(NC(=O)Cn2cnnn2)CCC1 1063425309 DBEMDMSGACYFDS-LLVKDONJSA-N 322.369 -0.581 30 20 DBED N#Cc1nccnc1N1CCO[C@@H](CNC(=O)c2ccon2)C1 1063615883 GSYGFDHPDBCFSG-JTQLQIEISA-N 314.305 -0.029 30 20 DBED C#CCO[C@@H](C)C(=O)NC1(CNC(=O)c2[nH]nnc2C)CCC1 1063882744 AXZOQWCTPJYPMK-NSHDSACASA-N 319.365 -0.080 30 20 DBED C=CCO[C@@H](C)C(=O)NC[C@@H]1CN(C(=O)COC)CCO1 1064756340 IUOOPYSXCPZAEO-NWDGAFQWSA-N 300.355 -0.433 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)COCC2CC2)C1 1065557268 OOQQXOWAUREJLG-YPMHNXCESA-N 309.366 -0.084 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CCCN(C(=O)Cn2cnnc2O)CC1 1066474951 LROUCGFRAKWVMC-GHMZBOCLSA-N 320.353 -0.359 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@H](CNc2nccn3nnnc23)C1 1066601715 DOYPZAYNYNBUEV-VHSXEESVSA-N 316.325 -0.682 30 20 DBED N#Cc1nccnc1N1C[C@H](CNC(=O)c2ccncc2)[C@@H](O)C1 1067643175 RBIWOUYFVSXPRJ-JSGCOSHPSA-N 324.344 -0.030 30 20 DBED C[C@@H](Nc1cnc(C#N)cn1)[C@H]1CN(C(=O)CC(N)=O)CCO1 1068227640 NXDAJRRAKZDPMF-MWLCHTKSSA-N 318.337 -0.749 30 20 DBED C=CC(C)(C)C(=O)N1CC2(CN(C(=O)CNC(N)=O)CCO2)C1 1068292615 BJLPZXNZSXSEQK-UHFFFAOYSA-N 324.381 -0.693 30 20 DBED C=CCCC(=O)N1CC2(C[C@H](NC(=O)[C@@H](C)NC(C)=O)CO2)C1 1068682100 LIKVSWVIPQXMPN-YPMHNXCESA-N 323.393 -0.037 30 20 DBED CN(C(=O)[C@H]1CCC(=O)N1)C1CC(N=c2cc[nH]c(C#N)n2)C1 1069716174 PPOTUKQDQLKZEZ-VQXHTEKXSA-N 314.349 -0.550 30 20 DBED C#CCCN1CCn2ncc(CNC(=O)[C@@H]3CCC(=O)N3)c2C1 1069881613 NZQUGRXERGGWNP-ZDUSSCGKSA-N 315.377 -0.383 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2ccnnc2C)C1 1069970611 PLEXXBPHEWPDKE-KGLIPLIRSA-N 311.349 -0.335 30 20 DBED Cn1nccc1CC(=O)N1C[C@@H]2C[C@@H]3CN(CC#N)C[C@]2(C1)O3 1070791300 BKNKCVGOFHPQIR-JGGQBBKZSA-N 315.377 -0.212 30 20 DBED C=CCN1C[C@H]2C[C@H]3CN(C(=O)[C@@H]4CN(C)C(=O)N4)C[C@@]3(C1)O2 1070836545 ZJESVUOQUHUWSF-RSUWNVLCSA-N 320.393 -0.502 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H](NC(=O)CCn2cncn2)C1 1071226819 OMQYKMOALKAHOL-VXGBXAGGSA-N 304.354 -0.065 30 20 DBED C#CCNC(=O)CC(=O)N1CCC(C)(NC(=O)[C@@H](C)OC)CC1 1072962434 VTVJQNQSWCVNRT-GFCCVEGCSA-N 323.393 -0.342 30 20 DBED CNC(=O)NCC(=O)N1CC[C@H](NC(=O)C#CC(C)C)[C@H](C)C1 1073938475 NFYRHPIHSBKYQZ-OLZOCXBDSA-N 322.409 -0.072 30 20 DBED Cn1cc(C(=O)N2CC[C@H]3OCCN(CC#N)[C@H]3C2)nc1O 1074331825 NRHZRGUAXGLUAS-NWDGAFQWSA-N 305.338 -0.435 30 20 DBED C=CCCC(=O)NCC1(O)CCN(C(=O)CNC(C)=O)CC1 1074429555 AZLBYOIEGAUKCY-UHFFFAOYSA-N 311.382 -0.442 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)[C@H]1CCCOC1 1076218883 KBTGEXHUISJCMB-STQMWFEESA-N 323.393 -0.437 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)c1ccncn1 1076219157 WGOWMTDYSWFYKL-NSHDSACASA-N 317.349 -0.759 30 20 DBED CCN(C(=O)CSCC#N)C1CN(C(=O)[C@H]2CCC(=O)N2)C1 1079342541 RNTJPXPVGXKJFW-LLVKDONJSA-N 324.406 -0.419 30 20 DBED C[C@@H]1CN(Cc2nnnn2C)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 1079592528 KPEOTTXGCQCJAR-BXKDBHETSA-N 314.353 -0.340 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)c2cn[nH]c2)C[C@H]1O 1081442410 VAWKUINGTSUGGN-CHWSQXEVSA-N 304.350 -0.238 30 20 DBED CC(C)C#CC(=O)N1C[C@H](CNC(=O)CC(=O)N(C)C)[C@@H](O)C1 1081497618 YZKJGJVUHNIVRZ-STQMWFEESA-N 323.393 -0.940 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1c(C)c[nH]c1CC(N)=O 1082156446 JILLCOISFQMVLB-VXGBXAGGSA-N 319.365 -0.697 30 20 DBED C=CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1ccn2nnnc2c1 1083161530 HIZUEDNSGJBCNY-QWHCGFSZSA-N 314.349 -0.165 30 20 DBED C=CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CCCS1(=O)=O 1083280108 FPVWFYNSMCTDGZ-XQQFMLRXSA-N 314.407 -0.339 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)Cc2nc3ncccn3n2)C1 1084056762 MNNATXYZHUQYQF-MNOVXSKESA-N 302.338 -0.986 30 20 DBED CC(=O)N1CCO[C@@H](C(=O)N2CC[C@H]3CCN(CC#N)[C@H]3C2)C1 1085085205 DYZZKWWJRHNGFJ-QLFBSQMISA-N 320.393 -0.320 30 20 DBED Cn1nnnc1CN[C@H]1C[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 1086345231 CAUQAMQQIREIOF-HOMQSWHASA-N 314.353 -0.292 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)c3nccnc3C(N)=O)C[C@@H]2C1 1088194444 FIOKQYKTGIUBKM-NEPJUHHUSA-N 313.361 -0.397 30 20 DBED C[C@@H](C[C@@H](C)Nc1cnc(C#N)cn1)NC(=O)CNC(N)=O 1089214864 KYQQMPQGPLEILB-BDAKNGLRSA-N 305.342 -0.288 30 20 DBED COCC(=O)NC[C@H]1CN(c2cncc(C#N)n2)CCCO1 1089512271 HCCSSNGMUJIBJN-LBPRGKRZSA-N 305.338 -0.294 30 20 DBED CC(C)N(C)CC(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1O 1090439196 AIGWWWUSAKNOII-CHWSQXEVSA-N 318.381 -0.646 30 20 DBED CC(=O)NCC(=O)N1C[C@@H](Nc2cncc(C#N)n2)[C@H](C)C1 1090951539 LUIJMGGAZIDLNZ-BXKDBHETSA-N 302.338 -0.257 30 20 DBED CCN(C)CCC(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1091137994 ZQHWTVYUTPOZDK-OLZOCXBDSA-N 318.381 -0.644 30 20 DBED CC(=O)NCC(=O)NC[C@H]1C[C@@H](N=c2cc[nH]c(C#N)n2)C1 1091305679 XOZYVTMTCFKHBU-PHIMTYICSA-N 302.338 -0.787 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)Cc3nc[nH]n3)c3nccn32)C1 1092407895 WRBOIRIIQZOLSY-JTQLQIEISA-N 312.337 -0.661 30 20 DBED COC[C@H](OC)C(=O)N[C@H]1[C@@H]2CN(c3cnc(C#N)cn3)C[C@@H]21 1093344153 CPCNUVPSTDRHES-KZVDOYCCSA-N 317.349 -0.440 30 20 DBED CS(=O)(=O)CCCC(=O)NCCN=c1cc[nH]c(C#N)n1 1093723557 XCYSTNQFVFNAQU-UHFFFAOYSA-N 311.367 -0.877 30 20 DBED COCC(=O)N[C@H](C)C(=O)NCCCNc1cncc(C#N)n1 1094844844 XDXZENPGZMQNTM-SNVBAGLBSA-N 320.353 -0.582 30 20 DBED N#Cc1cnc(NCCCNC(=O)[C@@H]2CCC(=O)NC2)cn1 1094884233 PFDQRUXANXYVHA-SNVBAGLBSA-N 302.338 -0.207 30 20 DBED CCN(CCCNC(=O)[C@@H]1COC(=O)N1)c1ccnc(C#N)n1 1095871151 ZNNOKOILMRAEPY-JTQLQIEISA-N 318.337 -0.211 30 20 DBED COC[C@H](OC)C(=O)N[C@@H]1CCN(c2cnc(C#N)cn2)C1 1096482728 PKIRUMMGCWBRQU-PWSUYJOCSA-N 305.338 -0.295 30 20 DBED COc1c(C(=O)NC[C@@H](C)N=c2cc[nH]c(C#N)n2)cnn1C 1097981052 ALZBKTVZVRRFCX-SECBINFHSA-N 315.337 -0.257 30 20 DBED C[C@H](CNC(=O)CC(=O)NCC1CC1)N=c1cc[nH]c(C#N)n1 1098040733 FAQYWAFGISPKEJ-SNVBAGLBSA-N 316.365 -0.397 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H](C)Nc1ncnc2c1nnn2C 1098061702 SNCCTNSHRKMVGO-ZJUUUORDSA-N 317.353 -0.287 30 20 DBED C[C@@H](CNC(=O)C1CS(=O)(=O)C1)Nc1ccc(C#N)nn1 1098071043 LVEPFAFCVPKKJR-QMMMGPOBSA-N 309.351 -0.691 30 20 DBED C[C@H](CNC(=O)[C@H]1CC(=O)N(C)C1)Nc1nccnc1C#N 1098346618 SAWBUKHDYFTEPF-ZJUUUORDSA-N 302.338 -0.257 30 20 DBED C=CCNCc1cn([C@H]2CCN(C(=O)CNC(C)=O)C2)nn1 1098600673 FVKGZUWVBDHSLR-ZDUSSCGKSA-N 306.370 -0.537 30 20 DBED C#CCNCc1cn([C@@H]2CCN(C(=O)c3ccnn3C)C2)nn1 1098629272 IZTHPGXNGVTJRE-CYBMUJFWSA-N 313.365 -0.178 30 20 DBED C=C(C)CCC(=O)N[C@@H]1CCN(CC(=O)NC(N)=O)C[C@@H]1O 1099855769 MWSOCWQKAYMEBZ-MNOVXSKESA-N 312.370 -0.911 30 20 DBED C#CCN1CC[C@H](NC(=O)CCc2ccc(O)nc2)[C@@H](O)C1 1099970540 YVESTTAJKRVHGF-KBPBESRZSA-N 303.362 -0.096 30 20 DBED CC#CCN1CC[C@H](NC(=O)CCc2cncn2C)[C@H](O)C1 1100094940 VHQHLNBIKOXOIX-LSDHHAIUSA-N 304.394 -0.073 30 20 DBED C=CCCNC1CC(CNC(=O)CNS(=O)(=O)CC)C1 1100379559 PWTVIUBBLONSDZ-UHFFFAOYSA-N 303.428 -0.014 30 20 DBED CCCN(CCNC(=O)CNC(N)=O)c1ccc(C#N)nn1 1101083577 KMFZKWQYPOXSST-UHFFFAOYSA-N 305.342 -0.651 30 20 DBED CC(=O)N(C)CC(=O)NCCN(c1cncc(C#N)n1)C1CC1 1101299533 FSLXBQSBOWYKJP-UHFFFAOYSA-N 316.365 -0.088 30 20 DBED N#Cc1cncc(N(CCNC(=O)[C@H]2CNC(=O)N2)C2CC2)n1 1101432700 IMLHRNIUHKXQKY-LLVKDONJSA-N 315.337 -0.885 30 20 DBED C=C[C@](C)(O)CC(=O)N(C)CCNc1ccc2nnnn2n1 1101586038 QRVNQSAJLZTSDX-ZDUSSCGKSA-N 305.342 -0.283 30 20 DBED CCN1CCO[C@@H](C(=O)N(C)CCNc2ccc(C#N)nn2)C1 1101637761 DIXXZXYLTLBYRI-CYBMUJFWSA-N 318.381 -0.061 30 20 DBED C[C@H](CNC(=O)Cn1cnnn1)CNc1cnc(C#N)cn1 1103851743 MHMWNEHUDWDYED-VIFPVBQESA-N 301.314 -0.801 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)c1c[nH]c(=O)cn1 1104167452 WMJCGHALTCMJSQ-SECBINFHSA-N 313.321 -0.669 30 20 DBED C#CCNCc1cn(C2CN(C(=O)CO[C@@H]3CCOC3)C2)nn1 1105238400 YIOVPQKKFWLFSC-CQSZACIVSA-N 319.365 -0.810 30 20 DBED CN(CCN(C)c1nccnc1C#N)C(=O)[C@@H]1COC(=O)N1 1105393402 VEYLSLPBWZYWDF-JTQLQIEISA-N 304.310 -0.649 30 20 DBED CC(C)C(=O)N1CCC(OC2CN(CC(=O)NCC#N)C2)CC1 1105687476 HZFKJCFTTXAALV-UHFFFAOYSA-N 322.409 -0.026 30 20 DBED N#Cc1cccnc1NC[C@@H](O)CNC(=O)C1=COCCO1 1105715422 SYVOZDGRRICBNW-LLVKDONJSA-N 304.306 -0.270 30 20 DBED C#CCN1CC(OC2CCN(C(=O)[C@H](C)CC(N)=O)CC2)C1 1105717155 PSZKVNUDDXITKY-GFCCVEGCSA-N 307.394 -0.177 30 20 DBED CC[C@@H](C(=O)NC[C@@H](O)CNc1cnc(C#N)cn1)N(C)C 1105925870 INBQZEBPYKNKTM-RYUDHWBXSA-N 306.370 -0.423 30 20 DBED Cc1cc(=NC[C@H](O)CNC(=O)c2cccnn2)c(C#N)c[nH]1 1105935308 LSJOZJLQOOMQNE-LBPRGKRZSA-N 312.333 -0.324 30 20 DBED Cc1cc(=NC[C@H](O)CNC(=O)c2c[nH]nc2C)c(C#N)c[nH]1 1106062401 HDDTZMNMMFEMJQ-LBPRGKRZSA-N 314.349 -0.082 30 20 DBED C[C@H](CCN=c1cc[nH]cc1C#N)NC(=O)Cn1cnnn1 1106195546 ZYJIREFTMLLRTI-SNVBAGLBSA-N 300.326 -0.631 30 20 DBED C[C@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)CO[C@H]1CCOC1 1106447980 YECDBLNMUNZRMN-NEPJUHHUSA-N 319.365 -0.118 30 20 DBED N#Cc1nc(=NC/C=C\CNC(=O)c2nccnc2N)cc[nH]1 1107117200 QQAGCULQDDQXQV-UPHRSURJSA-N 310.321 -0.460 30 20 DBED CNC(=O)CCCCC(=O)N[C@@H](C)CN=c1cc[nH]c(C#N)n1 1108417081 PGUKPOLRDRKRIQ-NSHDSACASA-N 318.381 -0.007 30 20 DBED C[C@@H](CNc1ccc(C#N)nc1)NC(=O)c1nnc(O)nc1O 1108782198 PNXQYDZADUOYGT-ZETCQYMHSA-N 315.293 -0.220 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H]1CCCO1 1108887672 OHNCVANAUITVID-RFGFWPKPSA-N 305.378 -0.364 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cc(C)[nH]n1 1108991293 LYWLSJUYNXAILK-DYEKYZERSA-N 315.377 -0.197 30 20 DBED CN1CCO[C@@H](C(=O)N(C)CCCNc2nccnc2C#N)C1 1109419229 TXRGAGPHLYVQIM-CYBMUJFWSA-N 318.381 -0.061 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1[C@H]2C[C@H]1N(c1nccc(C)n1)C2 1109703853 FNBJDTJCEAMXPL-YWPYICTPSA-N 313.361 -0.382 30 20 DBED Cn1cnc(C(=O)N[C@@H](CN=c2cc[nH]c(C#N)n2)C2CC2)n1 1109836105 ITVBSWRGEXPVCD-JTQLQIEISA-N 312.337 -0.481 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H](COC)OC 1111000268 DGJJDZCVLVCZDZ-YIYPIFLZSA-N 323.393 -0.881 30 20 DBED CC(C)[C@@H](O)C(=O)NC[C@@H]1COCCN1c1ccnc(C#N)n1 1111682663 BZSHOJANMHLULA-BXUZGUMPSA-N 319.365 -0.313 30 20 DBED C[C@H]1CN(C(=O)CCN(C)C)C[C@@H]1N=c1cc[nH]c(C#N)n1 1112335250 ARBLCFFCFYTZNP-RYUDHWBXSA-N 302.382 -0.019 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)CNC(=O)OC)CC1 1112652324 GFFYEOOPFCFVCK-NSHDSACASA-N 312.370 -0.823 30 20 DBED C[C@H](C#N)C(=O)NC1(CO)CCN(c2cncc(C#N)n2)CC1 1112657029 MSTMKZHJTFYWAL-LLVKDONJSA-N 314.349 -0.045 30 20 DBED COCCC(=O)NC[C@@H]1CN(c2ccc(C#N)nc2)C[C@@H]1O 1112689166 JLKIFDQTXHYJEK-RISCZKNCSA-N 304.350 -0.097 30 20 DBED CC#CCN1CCN(C(=O)[C@H](C)NS(=O)(=O)CC)CC1 1112872518 SZADZBIVGOOWHM-LBPRGKRZSA-N 301.412 -0.518 30 20 DBED Cc1nnccc1C(=O)N1CCN(CC(=O)NCC#N)CC1 1113071261 NPBIQBMYVXGEHW-UHFFFAOYSA-N 302.338 -0.817 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)Cc2cncn2C)CC1 1113536524 UHTDMKJWUIMEFE-UHFFFAOYSA-N 305.382 -0.591 30 20 DBED C[C@H](CNC(=O)CCn1cnnn1)N(C)c1ccc(C#N)nc1 1113685829 JYLAXQONPZPXQZ-LLVKDONJSA-N 314.353 -0.029 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)c3cn[nH]c3)[C@H]2C1 1113917775 WVCGTLGCXLVALC-XEZLXBQYSA-N 301.350 -0.792 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)Cc3ccon3)[C@H]2C1 1114094078 YJTPIOHHOGCIPE-DRZSPHRISA-N 316.361 -0.599 30 20 DBED Cc1ccn(C)c1C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1114187604 YKAGFKXGYCMBKD-IMRBUKKESA-N 315.377 -0.367 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@H](OC)C3CC3)[C@H]2C1 1114203822 JWLQMOKRVAZGND-PAPYEOQZSA-N 305.378 -0.793 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)c3n[nH]cc3C)[C@H]2C1 1114234474 LSTBVTMOKLKUBG-SRVKXCTJSA-N 315.377 -0.484 30 20 DBED N#CCNC(=O)CN1C[C@H]2C(NC(=O)CCC(F)F)[C@@H]2C1 1114579975 ZQOGFQJGBKYRQU-RKDXNWHRSA-N 300.309 -0.282 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)CCN(C)C)[C@H]2C1 1114780402 IHWJECZCRXVBMP-RMRHIDDWSA-N 306.410 -0.878 30 20 DBED C=CCCCN1C[C@H]2[C@H](NC(=O)[C@@H]3CC(=O)NC(=O)N3)[C@H]2C1 1114891776 NURWVJNQURWAJX-SRRSOLGSSA-N 306.366 -0.403 30 20 DBED C=CCOCCN1C[C@@H]2C(NC(=O)[C@H](C)N3CCOCC3)[C@H]2C1 1115357249 YRKMUMLHTBHSBK-KKUMJFAQSA-N 323.437 -0.044 30 20 DBED COCCn1cc(NC(=O)C(=O)N[C@H](C)CC#N)ccc1=O 1116728884 BFBKILIXTZHRKY-SNVBAGLBSA-N 306.322 -0.148 30 20 DBED CN(CCNC(=O)C(=O)N1CCO[C@H](C#N)C1)C1CCCC1 1117312519 ULGWDSMYXGZYNZ-CYBMUJFWSA-N 308.382 -0.272 30 20 DBED CCOC[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](C#N)C2)CCO1 1118898470 MNRHWERUSWMDNE-NEPJUHHUSA-N 311.338 -0.999 30 20 DBED C#CCNC(=O)C1CCN(C(=O)C(=O)N(CC)OCC)CC1 1118964193 MXHLGIXCJHMVDM-UHFFFAOYSA-N 309.366 -0.226 30 20 DBED CC(=O)CCCC(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1 1121050409 OOEPFIWLGXYGPR-NSHDSACASA-N 305.338 -0.582 30 20 DBED C#CCO[C@H](C)C(=O)NC1CC2(C1)CC(N[C@H]1CCNC1=O)C2 1121103105 SBPOFSALLLSFQO-XQEWBXBTSA-N 319.405 -0.070 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H](CO)Nc1nc(C)cc(C#N)n1 1122035627 IXAAZJAHFPJTKQ-WCQYABFASA-N 317.349 -0.416 30 20 DBED C=C(C)Cn1c(CO)nnc1N1C[C@H]2C(=O)N(C)C(=O)[C@H]2C1 1122548521 RCLCUFQKCBKXTH-AOOOYVTPSA-N 305.338 -0.603 30 20 DBED CCc1n[nH]cc1C(=O)NC[C@H](CO)N=c1cc[nH]cc1C#N 1122830374 UMZCCCPSZJIQSW-LLVKDONJSA-N 314.349 -0.137 30 20 DBED C=C[C@](C)(O)CC(=O)NCCNCC(=O)Nc1c(C)n[nH]c1C 1126383226 GNNQVEJMQNNQBO-HNNXBMFYSA-N 323.397 -0.002 30 20 DBED CN(C(=O)CNC(N)=O)C1CC(Nc2cnc(C#N)cn2)C1 1126846911 JLZFZTCGLVTOPC-UHFFFAOYSA-N 303.326 -0.582 30 20 DBED C=C(C)CN1CCn2ncc(CNC(=O)[C@H](C)NC(N)=O)c2C1 1128316178 MQQFCEKAKMTMFG-NSHDSACASA-N 320.397 -0.052 30 20 DBED C=C(C)CCC(=O)NCCNCc1nc(CC(=O)NC)no1 1128413318 CDVYVTUDRCQYMQ-UHFFFAOYSA-N 309.370 -0.080 30 20 DBED C=CCNC(=O)CNCCNC(=O)CCN(C)c1ccncc1 1130553529 JMRLLTUYEDLOPW-UHFFFAOYSA-N 319.409 -0.084 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H]2C[C@@H]3CN(C(C)=O)C[C@@]3(C1)O2 1131164376 JRAPXHINNUHDAM-XKVFNRALSA-N 307.394 -0.001 30 20 DBED CC(C)C#CC(=O)N[C@H]1CC[C@H](C)N(CC(=O)NC(N)=O)C1 1132021217 LKXYKTKMTCSAHQ-RYUDHWBXSA-N 308.382 -0.190 30 20 DBED CC#CCN1C[C@@H](NC(=O)CS(=O)(=O)NC)CC[C@@H]1C 1132501475 XDXYUUYHBOWWSN-RYUDHWBXSA-N 301.412 -0.472 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cn(CCC(C)C)nn1 1133751241 YMDIGWUSPCQXNF-UHFFFAOYSA-N 320.397 -0.607 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H](C)OCCOC 1134673002 HRKHEJFCPGPIHT-VXGBXAGGSA-N 301.387 -0.566 30 20 DBED C=CCN(CC=C)C(=O)CN[C@@H](C)C[C@H](C)NC(=O)C(N)=O 1135353168 CTRUTTYOWHZEDP-RYUDHWBXSA-N 310.398 -0.455 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1cc(CC)cnc1O 1146183586 PVFXHEYCIGYGHA-UHFFFAOYSA-N 306.366 -0.029 30 20 DBED C#CCCN[C@H](C)C[C@@H](C)NC(=O)CNC(=O)Cn1cncn1 1146560692 CRKYDIQIZAOEIN-CHWSQXEVSA-N 320.397 -0.710 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)C1=COCCO1)C2 1146927276 BGBRFXHFTAKBPZ-UHFFFAOYSA-N 319.361 -0.842 30 20 DBED Cn1ccnc1COCC(=O)N1CC2(CCN(CC#N)C2)C1 1147761039 USPBRCAKNXWDEC-UHFFFAOYSA-N 303.366 -0.005 30 20 DBED N#Cc1ccc(CN2CCCO[C@H](CNC(=O)C(N)=O)C2)cc1 1150212977 UXJXFHMWIODDBW-CQSZACIVSA-N 316.361 -0.249 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CCc2nncn2C1 1152162516 XXUMFZMEEWUAAS-NEPJUHHUSA-N 320.397 -0.763 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)c1c[nH]nc1C 1154548771 GLGJUKGKPYYDLT-SNVBAGLBSA-N 306.370 -0.202 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)[C@@H](C)c1ccnn1C 1158288197 RFNFXYOIRHNLTQ-STQMWFEESA-N 319.409 -0.243 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1nccn2ccnc12 1166899175 JWNDJPVVBZFGCX-UHFFFAOYSA-N 314.349 -0.812 30 20 DBED C=CCOCCNCCCNC(=O)[C@H]1CCN(C)S1(=O)=O 1168061058 HSIZFHMAMVFPCM-GFCCVEGCSA-N 319.427 -0.681 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)CCc1ncccn1 1168882764 GSIGXMGXVBQMHU-CYBMUJFWSA-N 317.393 -0.357 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)CCc1cnccn1 1170259342 QHUKCRGNRJFOHW-CYBMUJFWSA-N 317.393 -0.357 30 20 DBED C=CCNC(=O)CNCCCNC(=O)c1ccc(C(N)=O)cc1 1175835974 OTQAOVOXGVUBCH-UHFFFAOYSA-N 318.377 -0.203 30 20 DBED N#CCNC(=O)CNCCCNC(=O)CCN1CCCCC1 1176930828 QWLDDSVYGVCUTR-UHFFFAOYSA-N 309.414 -0.402 30 20 DBED CCCC(=O)NCC(=O)N1CC[C@H]2OCCN(CC#N)[C@H]2C1 1176943370 JIJJDEWRFLZLLR-QWHCGFSZSA-N 308.382 -0.272 30 20 DBED CCOCCOCC(=O)N1CC[C@H]2OCCN(CC#N)[C@@H]2C1 1177157529 SJDUETDNPWJDGX-ZIAGYGMSSA-N 311.382 -0.135 30 20 DBED COCC#CCN[C@H]1CCN(C(=O)[C@H]2CCNC(=O)C2)[C@H]1C 1178456014 ODOGCVTVKSTZBK-IHRRRGAJSA-N 307.394 -0.259 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](N[C@@H](C)c2nc(C)no2)C1 1182145579 QVUMAQYHEWCYGX-CMPLNLGQSA-N 319.365 -0.231 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC[C@@H](NCCCS(C)(=O)=O)C1 1182203716 HDIQPTPAXASZHL-TZMCWYRMSA-N 318.439 -0.061 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)CN2CCC[C@@H]2C)C1 1185659567 KPNQURNKGFOIAV-UONOGXRCSA-N 308.426 -0.037 30 20 DBED C=CCn1cc(C(=O)N2CC[C@@H](NC[C@H](O)COC)C2)nn1 1186177597 OKJPUSIMWLLRRL-NEPJUHHUSA-N 309.370 -0.725 30 20 DBED C=C(C)CN1C[C@@H]2CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)[C@@H]2C1 1189325357 UWBPNNDNPQMAFQ-MELADBBJSA-N 322.409 -0.525 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@H]1CCN(C(=O)CC2(O)CCC2)C1 1190015818 SSLZJMVLYDWSLF-KGLIPLIRSA-N 321.421 -0.038 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](N(C)CCn2cncn2)C1 1190113369 IQHWNVOPDXUNKM-CQSZACIVSA-N 305.382 -0.149 30 20 DBED C=CCCO[C@H](C)C(=O)N[C@@H]1CN(Cc2nncn2C)C[C@H]1O 1191598360 LOIZSYNMWPPSKX-JHJVBQTASA-N 323.397 -0.542 30 20 DBED COc1cccc(CN2C[C@@H](O)[C@H](NC(=O)[C@H](C)C#N)C2)n1 1191854609 OVPZFVYPZOKFJB-RAIGVLPGSA-N 304.350 -0.089 30 20 DBED C#CCCN(C)[C@@H]1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)C1 1192876648 HJOKZFRCPBNHOS-CYBMUJFWSA-N 318.377 -0.517 30 20 DBED C#CCCN(C)[C@@H]1CCN(C(=O)COCc2nncn2C)C1 1193205322 ROVCCKLCGCJWAF-CYBMUJFWSA-N 305.382 -0.112 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)CCNS(C)(=O)=O)C1 1193465249 MSAYIVHBBWZYBJ-VXGBXAGGSA-N 319.427 -0.947 30 20 DBED CN(CC(=O)NCC#N)[C@@H]1CCN(C(=O)c2ccn(C)n2)C1 1194010223 IOXNKEQWSRKNEV-LLVKDONJSA-N 304.354 -0.794 30 20 DBED CC#CCCCC(=O)N[C@@H]1CN([C@@H]2CCCN(C)C2=O)C[C@H]1O 1195467263 MBXWMIGBTNAAJR-RBSFLKMASA-N 321.421 -0.038 30 20 DBED Cc1nonc1CC(=O)N1CCC(NCC(=O)NCC#N)CC1 1203143774 TZIBQNOGVGGUKV-UHFFFAOYSA-N 320.353 -0.859 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)c2ncc[nH]2)[C@H](C)C1 1206938131 IQJOBNBYYOBKOO-IJLUTSLNSA-N 303.366 -0.402 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)c2ncn(C)n2)C1 1207975381 PHAUJZIPYIJQPZ-LLVKDONJSA-N 306.370 -0.689 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)[C@H](C2CC2)N(C)C)C1 1208334138 FZWVMBGGXJLMMO-HOCLYGCPSA-N 320.437 -0.343 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)C2(C(=O)NC)CC2)C1 1210124331 ARRBUEQETPTUQL-GFCCVEGCSA-N 322.409 -0.605 30 20 DBED C=CCOCCN1C[C@@H](NC(=O)C[C@H]2CC(=O)NC2=O)[C@H](C)C1 1211497657 MUUPIUDDEXNWFK-FRRDWIJNSA-N 323.393 -0.322 30 20 DBED CNC(=O)NCCC(=O)N1C[C@@H](NCC#CCOC)[C@H](C)C1 1214564467 ZDKURRFKJLNZLQ-CHWSQXEVSA-N 310.398 -0.608 30 20 DBED C[C@@H]1CN(C(=O)CCNC(=O)c2cnccn2)C[C@H]1NCC#N 1216787545 CTKODZKDQYMXBG-DGCLKSJQSA-N 316.365 -0.443 30 20 DBED C[C@@H](c1cnccn1)N1C[C@H](O)[C@H](NC(=O)CSCC#N)C1 1219216533 OQOOFTYWJNKVIH-UHTWSYAYSA-N 321.406 -0.044 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)c2cncs2)C1 1219270593 DFTFIUMNADGNME-AXFHLTTASA-N 322.390 -0.944 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CN(Cc2cccc(C(N)=O)c2)C[C@@H]1O 1219378821 GIBBOEMCLACCRM-GDLCADMTSA-N 316.361 -0.394 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)[C@H](C)c2ccnn2C)C1 1219652233 JNJWHHAPVYJHRI-NFAWXSAZSA-N 322.409 -0.113 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@H](CC)CC(C)C)C1 1220707994 GWOGQWHHKAOTHV-KFWWJZLASA-N 323.437 -0.031 30 20 DBED N#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C2CCC=CCC2)C1 1220987019 GCPUDOLWLNONEU-KGLIPLIRSA-N 320.393 -0.466 30 20 DBED COCC#CCN1CC[C@@H]2CN(C(=O)c3cnc(O)n3C)[C@@H]2C1 1221731328 BLJKIPASWJOKNH-TZMCWYRMSA-N 318.377 -0.078 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)C(C)(C)C(N)=O)CC1 1223533771 PFVRHQXCVLFCRM-UHFFFAOYSA-N 322.409 -0.925 30 20 DBED COCC#CCN1CCC(CNC(=O)[C@@H]2CC[C@H]2C(N)=O)CC1 1224013989 OXYXSIXDYPXTTK-HUUCEWRRSA-N 321.421 -0.024 30 20 DBED N#CCNC(=O)CN1CCC(NC(=O)Cc2cncnc2)CC1 1227060377 JBFIMXUAYZQVEK-UHFFFAOYSA-N 316.365 -0.761 30 20 DBED N#CCNC(=O)CN1CCC(NC(=O)Cn2ccnc2)CC1 1230438303 IAIVXMZKZQXMSN-UHFFFAOYSA-N 304.354 -0.897 30 20 DBED C#CCNC(=O)CN(C)CCCNC(=O)CNC(=O)CCC 1234640572 JYVKADHKUWTOQR-UHFFFAOYSA-N 310.398 -0.910 30 20 DBED COCC[C@@H](NC(=O)C(=O)Nc1ccc(F)cc1C#N)C(N)=O 1255531530 OXCIHODNDOSGQQ-LLVKDONJSA-N 322.296 -0.358 30 20 DBED N#CCCOCCN[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 1261237190 KIZHJPGMIQNNLY-QWHCGFSZSA-N 317.411 -0.996 30 20 DBED N#Cc1cnn2cc(CN3CCN4C(=O)NC(=O)[C@H]4C3)cnc12 1261494151 HCVPFMLLSQPSNM-LLVKDONJSA-N 311.305 -0.663 30 20 DBED C#CCOCCNC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1N 1262543977 PPMIDZQKTPWORC-ZIAGYGMSSA-N 301.346 -0.507 30 20 DBED C=CCCOCC(=O)OCC(=O)N[C@H]1CCS(=O)(=O)C1 1317989945 IQPLRLCEVIETIX-JTQLQIEISA-N 305.352 -0.574 30 20 DBED CN1CC[C@H](OC(=O)CCN/C(O)=C2/N=CC=CC2=O)C1=O 1318679583 WPKXQIYVAHWIOT-AGKQBQDBSA-N 307.306 -0.323 30 20 DBED C[C@@H](CN1CCCC1=O)NC(=O)C(=O)N1CC[C@](F)(C#N)C1 1321874623 PYRLVZGAXSMHFR-HZMBPMFUSA-N 310.329 -0.422 30 20 DBED C[C@]1(C2CCN(CC(=O)NCCC#N)CC2)NC(=O)NC1=O 1322422675 OKVNTHBXKCODCN-CQSZACIVSA-N 307.354 -0.674 30 20 DBED N#Cc1cccc(NC(=O)C(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)c1 1323858278 OIFMVRQNCLTXDS-RYUDHWBXSA-N 316.317 -0.354 30 20 DBED C=C[C@H](COC)NC(=O)CNS(=O)(=O)c1cn(C)c(C)n1 1324036795 ALPBPMRSXFXWBW-SNVBAGLBSA-N 316.383 -0.676 30 20 DBED CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)C(=O)NCCCCC#N)O1 1329790658 DVMMXXNHTVKIFZ-NEPJUHHUSA-N 324.381 -0.452 30 20 DBED CO[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CC[C@](O)(CC#N)C1 1332832698 XSUCSOKOPCSCFM-LALPHHSUSA-N 309.366 -0.063 30 20 DBED C=CCN(CCOC)c1nnnn1CC(=O)N1CCOCC1 1335405067 MWERRXWIQIYYIX-UHFFFAOYSA-N 310.358 -0.829 30 20 DBED N#C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H]3NC(=O)CC[C@H]3C2)C1 1336528660 DRQOKKUYCRFOOJ-AVGNSLFASA-N 318.377 -0.124 30 20 DBED C#CCNC(=O)C1CCN(c2nnc([C@H](C)CO)n2C)CC1 1338058549 WJXMNPOSDQBMNR-LLVKDONJSA-N 305.382 -0.123 30 20 DBED C#CCC[C@H](O)CNC(=O)C(=O)Nc1ccc(C(N)=O)c(C)c1 1339864524 BTZZUWPHOBXLFU-LBPRGKRZSA-N 317.345 -0.077 30 20 DBED CN(CCC#N)C(=O)C(=O)Nc1cccc(S(N)(=O)=O)c1 1340068913 NILFOTHXSBPQFA-UHFFFAOYSA-N 310.335 -0.355 30 20 DBED COC[C@@H](CNC(=O)C(=O)NCc1cccc(C#N)c1)OC 1345006566 UNVIKVQEVGQAAK-CYBMUJFWSA-N 305.334 -0.048 30 20 DBED C#C[C@@H](CCC)NC(=O)C(=O)Nc1ncn(CC(=O)OCC)n1 1345677294 AFEKTSQHSNPVQO-JTQLQIEISA-N 321.337 -0.302 30 20 DBED N#CCSCC(=O)NS(=O)(=O)c1cnn2c1OCCC2 1347699572 XHXWYSWCUBLEFH-UHFFFAOYSA-N 316.364 -0.273 30 20 DBED Cc1nn(C)c(C)c1CNC(=O)Cn1cc(C#N)c(O)nc1=O 1362348452 NWNFVDCRKLZZRV-UHFFFAOYSA-N 316.321 -0.513 30 20 DBED Cn1c(=O)[nH]c(NCCc2cccc(C(N)=O)c2)c(C#N)c1=O 1363136103 MHHUOWFLSPGOLZ-UHFFFAOYSA-N 313.317 -0.301 30 20 DBED N#CC[C@H]1CCCN(C(=O)Cn2cc(C#N)c(O)nc2=O)C1 1363481199 OISZVCUTBIWTHA-SNVBAGLBSA-N 301.306 -0.027 30 20 DBED CN(CCCc1[nH]nc(N)c1C#N)C[C@@H](O)C[C@]1(O)CCOC1 1363796916 ZHUJWRQKAKUAMJ-XHDPSFHLSA-N 323.397 -0.370 30 20 DBED N#CC1CCC(CNC(=O)N2CCN(CC(N)=O)C(=O)C2)CC1 1364596001 FDAKVQSJYBIZTG-UHFFFAOYSA-N 321.381 -0.345 30 20 DBED CC(=O)N(C)CC(=O)NC[C@@H](C)NC(=O)c1cc(C#N)c[nH]1 1372787522 OZWLKPKIGJVVBU-SECBINFHSA-N 305.338 -0.401 30 20 DBED C=C(Cl)CNC[C@@H](C)NC(=O)Cn1ccc(O)nc1=O 1379388650 NBCKAEGSRIIJCX-SECBINFHSA-N 300.746 -0.204 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@]1(C)CCN(C(=O)c2cnn(C)n2)C1 1394443684 VKTSCABOSMQCPD-IINYFYTJSA-N 304.354 -0.057 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(N(C)C(=O)[C@H](C)NC(N)=O)CC1 1404877717 HPXWRNBZEHEFQQ-UWVGGRQHSA-N 309.370 -0.348 30 20 DBED CC[C@H](NS(=O)(=O)N1CCO[C@@H](C#N)C1)c1noc(C)n1 1413379903 PBNQGWUDRXRUON-UWVGGRQHSA-N 315.355 -0.112 30 20 DBED C[C@H]1CN(C(=O)CN2CCN(C(=O)[C@H](C)C#N)CC2)CCO1 1415821762 ZNWFZRPDKPRTQB-OLZOCXBDSA-N 308.382 -0.462 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1cc2cccn2cn1 1416772336 QWMWQCJPDPZFJK-ZYHUDNBSSA-N 315.333 -0.299 30 20 DBED Cc1cc(C)c(C(=O)NC[C@H](O)CNC(=O)[C@H](C)C#N)c(O)n1 1416774494 GSMUICGDZRWWLK-MWLCHTKSSA-N 320.349 -0.229 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)C2CCN(C(N)=O)CC2)CC1 1417196241 HIHFIYCUZWPDES-SNVBAGLBSA-N 321.381 -0.298 30 20 DBED CC(CO)(CO)CNS(=O)(=O)c1ccc(C#N)c(F)c1 1424114649 OYYZKXJDUVQXCP-UHFFFAOYSA-N 302.327 -0.033 30 20 DBED COCC1(CC(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)CC1 1428918203 MLWSKUNHNLJBOX-TUAOUCFPSA-N 309.366 -0.349 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)CCN2CCOCC2)CC1 1433938922 HKBIBUPZSPHBJJ-LBPRGKRZSA-N 308.382 -0.367 30 20 DBED Cn1c(=O)[nH]c(NC[C@H](CO)CC2CCOCC2)c(C#N)c1=O 1458347569 SAPJZRVDTDSGOR-LLVKDONJSA-N 322.365 -0.218 30 20 DBED CC(C)CN1CCN(c2[nH]c(=O)n(C)c(=O)c2C#N)[C@H](C)C1=O 1472764476 ZDTFUVUKWUBUQP-SNVBAGLBSA-N 319.365 -0.362 30 20 DBED C=C(Cl)CNC[C@H](C)NC(=O)c1cn(CC(N)=O)nn1 1483296338 DTALWUVLNYHAJB-QMMMGPOBSA-N 300.750 -0.776 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)[C@H]2COC(=O)N2)CCCC1 1499540368 GLNDKRAYVMJDIL-VHSXEESVSA-N 308.338 -0.200 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCN(C)CCc1cnn[nH]1 1574986258 XSQHRQCBRNZIKZ-AWEZNQCLSA-N 304.398 -0.507 30 20 DBED Cn1c(=O)[nH]c(N2CCC[C@@H]([C@@H]3CCNC3)C2)c(C#N)c1=O 1579940146 SCJKUHNJQXWPIM-GHMZBOCLSA-N 303.366 -0.229 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)Nc1cnn(CC(=O)O)c1C 1588692948 NMLMUQVYHVQTCA-VIFPVBQESA-N 310.310 -0.468 30 20 DBED C=C[C@H](CO)NCCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 1588728201 OGMUBHYNWYSQHT-LLVKDONJSA-N 323.378 -0.223 30 20 DBED N#CCNC(=O)[C@H]1CC(=O)N(c2ccc(-c3nn[nH]n3)cc2)C1 1592677798 JSEFJIKNIDXREE-JTQLQIEISA-N 311.305 -0.141 30 20 DBED C[C@H]1CN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CC[C@H]1C(=O)O 1599930808 BABOWQOZJLXGQI-GARJFASQSA-N 317.367 -0.502 30 20 DBED N#Cc1ccc(N2CCN(CC(=O)NCC(=O)O)CC2)cn1 1601106622 YUWANEHOBUTOCX-UHFFFAOYSA-N 303.322 -0.724 30 20 DBED CCN(CCC#N)S(=O)(=O)N[C@@H](CC(=O)O)C(=O)OC 1605438773 NYGJHIOZXZMBBC-QMMMGPOBSA-N 307.328 -0.927 30 20 DBED N#Cc1ncc(NCCN2CCNC2=S)nc1-c1nn[nH]n1 1606398213 QXPYZAKZAWYKKU-UHFFFAOYSA-N 316.354 -0.870 30 20 DBED COC(=O)CN(CC#N)S(=O)(=O)c1cc(C(=O)O)cn1C 1606464382 YBYAJNFYKRARSV-UHFFFAOYSA-N 315.307 -0.589 30 20 DBED N#Cc1cccc(S(=O)(=O)NCC(=O)NC[C@@H]2CCOC2)c1 1645787793 FEJHVXFSAHIQBH-LBPRGKRZSA-N 323.374 -0.011 30 20 DBED C=CCOCC(=O)NC[C@@H](N[C@H]1CCC(=O)NC1=O)C1CC1 1752447541 AWTOBGVOTWVZPR-NWDGAFQWSA-N 309.366 -0.521 30 20 DBED COCC#CCN[C@H]1C[C@H](NC(=O)c2cn(C)nc2OC)C1 1752652917 SBCAWOCAEVTDEY-HAQNSBGRSA-N 306.366 -0.071 30 20 DBED COCC#CCN[C@H]1C[C@@H](NC(=O)CCc2cn(C)nn2)C1 1752776433 UBOBBYXYNPZZEJ-OKILXGFUSA-N 305.382 -0.366 30 20 DBED C=CCN1CC[C@H](N[C@H](C)CNC(=O)c2nnn(C)c2C)C1=O 1752866837 UDIDNDRBZKXWLN-PWSUYJOCSA-N 320.397 -0.382 30 20 DBED C#CCN1CC[C@H](CNC(=O)[C@H](C)NS(=O)(=O)CC)C1 1753128945 KXXACJJVVMWXTN-NWDGAFQWSA-N 301.412 -0.615 30 20 DBED CN(CCNCc1cc(C#N)ccc1F)C(=O)Cn1ncnn1 1753189683 PRBBHIHZBWPLOE-UHFFFAOYSA-N 317.328 -0.068 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C[C@H]1CN2C(=O)C1(COCC)CC1 1753421937 CGUAZZIYEOMNCI-KBPBESRZSA-N 319.405 -0.162 30 20 DBED COCC#CCN1CC[C@@H](N(C)C(=O)c2cncnc2O)C1 1753439844 RDFGDKMAHPOGPK-GFCCVEGCSA-N 304.350 -0.022 30 20 DBED C=CCN1CC[C@H](NC[C@@H](C)N(C)C(=O)c2ncn(C)n2)C1=O 1753689856 NMBLOVAQLQUSSP-NEPJUHHUSA-N 320.397 -0.348 30 20 DBED C#CCNC(=O)CNC[C@H](O)CNC(=O)[C@@H](C)c1ccco1 1753927567 MMHLHOHRXRSBLH-RYUDHWBXSA-N 307.350 -0.801 30 20 DBED C#CCNC(=O)[C@@H](C)NCCN(CC)C(=O)C[C@H]1CCC(=O)N1 1754077357 PTYDWQLCESVKSN-CHWSQXEVSA-N 322.409 -0.769 30 20 DBED COc1cc(C(=O)N[C@@H]2[C@H]3C[C@H]2N(CC(=O)NCC#N)C3)on1 1754424167 RNQGNHIATITTSD-IGJMFERPSA-N 319.321 -0.875 30 20 DBED N#CCNC(=O)CN1CC[C@@H]1CNC(=O)c1csc(O)n1 1754491695 NNQLRVMHPAEKOY-MRVPVSSYSA-N 309.351 -0.707 30 20 DBED C#CCCNC1(CNC(=O)c2ccc(-n3cnnn3)cn2)CC1 1754525909 JQHCSTOFTGPNFV-UHFFFAOYSA-N 311.349 -0.067 30 20 DBED C#CCNC(=O)CNC1C[C@@H]2CCC[C@H](C1)N2C(=O)CC(N)=O 1754540318 SZCIXNBBEATZCX-YHWZYXNKSA-N 320.393 -0.887 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)[C@H](CCCC)NC(N)=O)CO2)C1 1755067904 MKERYUFMHRQRES-STQMWFEESA-N 322.409 -0.194 30 20 DBED CC#CCN[C@@]1(CO)CCCN(C(=O)CCc2nc[nH]n2)C1 1755084563 ODJZRGYDZSTIBP-HNNXBMFYSA-N 305.382 -0.296 30 20 DBED COCC1(C(=O)N2C[C@H](C)[C@@H](NCC(=O)NCC#N)C2)CC1 1755111220 BQELXEFSGUASCF-RYUDHWBXSA-N 308.382 -0.511 30 20 DBED C#CCNC(=O)CN[C@@H]1C[C@@H](C)N(C(=O)c2nn(C)cc2C)C1 1755678975 QTNNQARWRORQHN-CHWSQXEVSA-N 317.393 -0.329 30 20 DBED C=CCNC(=O)[C@@H](C)NC1CC(N(C)C(=O)c2cnn[nH]2)C1 1755858903 WPWPGGIBKRSUQH-KPPDAEKUSA-N 306.370 -0.312 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)c2ncn(C)n2)CC1(C)C 1756174652 KAZMMSPSLAVJHY-LLVKDONJSA-N 321.381 -0.016 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1C[C@H](NC(=O)[C@@]2(C)CCNC2=O)C1 1756263263 IJBRCSOJXNAUOL-VEABSNGSSA-N 306.366 -0.317 30 20 DBED C#CCO[C@H](C)C(=O)NCCC[C@H](C)NC(=O)c1nnn(C)n1 1756334377 LTSSJMCZYQCWET-WDEREUQCSA-N 322.369 -0.737 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H](CO)CNC(=O)c1ncccc1C 1756511325 YNWOJYOFDVLRIT-OLZOCXBDSA-N 319.361 -0.365 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C[C@H](O)CNC(=O)c1ccccn1 1756663414 PDMIRACGDJYOBM-QWHCGFSZSA-N 319.361 -0.331 30 20 DBED COC1CCN(S(=O)(=O)N[C@H](CCC#N)C(=O)O)CC1 1777167328 MNIANAQAHYVWFO-SNVBAGLBSA-N 305.356 -0.311 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(CC)[nH]n1 1795960067 DRCHFQMXLDJZHR-QHBPRCKVSA-N 316.361 -0.192 30 20 DBED C#CC(=O)N1CCCC12CN(C(=O)[C@@H](C)N1CCN(C)CC1)C2 1845959803 IDVSTKSKZOGTCA-CQSZACIVSA-N 318.421 -0.541 30 20 DBED O=C(C/N=C/c1ccco1)N1CC[C@H]2[C@@H]1CCN2C(=O)C(O)O 1847446559 HRVAIPLLQIBDQS-HELSFGJNSA-N 321.333 -0.789 30 20 DBED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCNC(=O)C2)c1 23421011 ZDJHMPVZRVCYDM-UHFFFAOYSA-N 323.374 -0.277 30 20 DBED N#CC1(NC(=O)CNC2=NS(=O)(=O)c3ccccc32)CC1 115153525 QSWDQBZXXDROBD-UHFFFAOYSA-N 304.331 -0.103 30 20 DBED CN(C)C[C@](C)(O)CNC(=O)C(=O)Nc1ccc(C#N)cc1 132127423 FYDBHYCGQICILR-OAHLLOKOSA-N 304.350 -0.074 30 20 DBED C#CCN1CCN(C(=O)c2ccc(S(=O)(=O)NC)nc2)CC1 185648859 SQEGOYIQLDUWMU-UHFFFAOYSA-N 322.390 -0.619 30 20 DBED C/N=C(/NCCN1CCSCC1)N1CCO[C@H](COC)C1 261770211 DOSJYBMXKOQPBR-ZDUSSCGKSA-N 316.471 -0.042 30 20 DBED COc1ccc(C#N)cc1NC(=O)C(=O)N1C[C@H](O)[C@@H](O)C1 277504050 KLVYBGOQTGXPHI-QWRGUYRKSA-N 305.290 -0.931 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC2CC(F)(F)C2)C1=O 277656582 VAVGJDIYGRJCNC-UHFFFAOYSA-N 301.249 -0.123 30 20 DBED COC(=O)C[C@@H](NS(=O)(=O)N(C)C[C@@H](C)C#N)C(=O)OC 282922214 SSKSXSZEWXQNRG-DTWKUNHWSA-N 321.355 -0.983 30 20 DBED COC(=O)c1cc(C#N)c(=O)n(CCS(=O)(=O)N(C)C)c1 285142346 LMJILSLZHNHELI-UHFFFAOYSA-N 313.335 -0.602 30 20 DBED C#CCN(Cc1ccccc1)C(=O)CNC(=O)CNC(C)=O 286300438 HIHMXASRBZEKLI-UHFFFAOYSA-N 301.346 -0.099 30 20 DBED CC(C)Nc1nc(NCCO)nc(N2CCO[C@H](C#N)C2)n1 287410602 PUKSCRDRJRLQEN-SNVBAGLBSA-N 307.358 -0.175 30 20 DBED C=CCNC(=O)CNC(=O)N1C[C@H](C)S(=O)(=O)[C@H](C)C1 292412050 NLXTUNMBCRSSBG-AOOOYVTPSA-N 303.384 -0.494 30 20 DBED COC(=O)c1cn(CC/N=C(/O)N2CCC[C@H](CO)C2)nn1 330752637 CLUUSCSEWVBCMQ-JTQLQIEISA-N 311.342 -0.317 30 20 DBED CNS(=O)(=O)CC/N=C(/O)N(C)C[C@@H]1CCCC[C@@H]1O 331278932 DONDXPJIUQSFQE-QWRGUYRKSA-N 307.416 -0.068 30 20 DBED C[C@@](O)(CNS(=O)(=O)N1CCO[C@H](C#N)C1)C(F)(F)F 336887930 LBOHJBYLTBPFML-HTQZYQBOSA-N 317.289 -0.642 30 20 DBED CCOC(=O)CCCNS(=O)(=O)N1CCO[C@@H](C#N)C1 336925486 WIZAAXPZGVWDES-JTQLQIEISA-N 305.356 -0.612 30 20 DBED COC(=O)CSCCNS(=O)(=O)N(C)C[C@@H](C)C#N 337103235 XUNLWTFBSGZXTR-VIFPVBQESA-N 309.413 -0.182 30 20 DBED C=CC[C@H](CO)CNC(=O)Nc1ccn(CC(=O)N(C)C)n1 341765625 VDMWBBLNMYBXAT-NSHDSACASA-N 309.370 0.277 30 20 DBED Cn1cc(N2CCN(C(=O)C(=O)NCCCCC#N)CC2)cn1 343341259 OUMHBRAJNWRYHC-UHFFFAOYSA-N 318.381 -0.121 30 20 DBED CCN(C[C@H](C)C#N)C(=O)CN1CCN(C(C)(C)C(N)=O)CC1 347524300 QGTPEEJQQYDHBD-CYBMUJFWSA-N 323.441 -0.124 30 20 DBED COC(=O)CN(CC#N)C(=O)CN(C)C(=O)[C@@H](C)n1cccn1 348795586 DVPSCOMPWSGCNZ-LLVKDONJSA-N 321.337 -0.572 30 20 DBED CCN1CCN(CC(=O)N2CCC(F)(C#N)CC2)C(=O)C1=O 359396851 WVXQMRPQPAPPLB-UHFFFAOYSA-N 310.329 -0.469 30 20 DBED CNC(=O)Cn1cc(NS(=O)(=O)c2ccc(C#N)o2)cn1 361118841 DDYLTEBCRCQKSD-UHFFFAOYSA-N 309.307 -0.105 30 20 DBED C=CCN1CC[C@H](N2CCC(O)(CN3CCOCC3)CC2)C1=O 375621421 SMVMRABUUCRHRI-HNNXBMFYSA-N 323.437 -0.068 30 20 DBED C=C(C)COCCNC(=O)NCCNS(=O)(=O)N(C)C 458551878 CMBABRRSYNRSEM-UHFFFAOYSA-N 308.404 -0.726 30 20 DBED C#CCN1CCC(C(=O)N2CCN(C(C)(C)C(N)=O)CC2)CC1 490763398 QWDZYERDDBLINZ-UHFFFAOYSA-N 320.437 -0.260 30 20 DBED C#CCNC(=O)C1CCN(CCS(=O)(=O)N(C)C)CC1 491181632 UZXQUOLPMMUCLG-UHFFFAOYSA-N 301.412 -0.661 30 20 DBED C=CCN1CCC(NC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CC1 582797816 ZOSHYZWMLLSLSS-UONOGXRCSA-N 321.425 -0.410 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1CC[C@H](C)[C@H]1C(=O)O 593270189 ZSTHVCRDLDFRCY-QWRGUYRKSA-N 319.383 -0.112 30 20 DBED CCN(CC#N)C(=O)CS(=O)(=O)CC(=O)N(CC)CC#N 594248091 KIIOMJUZMQDAFX-UHFFFAOYSA-N 314.367 -0.855 30 20 DBED CCC[C@@H](C#N)NC(=O)CNS(=O)(=O)c1cn(C)c(C)n1 608853722 WOELWQBHKFXTRW-JTQLQIEISA-N 313.383 -0.185 30 20 DBED C=C[C@](C)(O)C(=O)NC[C@@H](COC)NC(=O)[C@](C)(O)C=C 613787851 IAQRKAUBUNZDBJ-LEWSCRJBSA-N 300.355 -0.892 30 20 DBED N#CC1(C(=O)N2CCC(S(N)(=O)=O)CC2)CCOCC1 707178878 OUDSBIYPILPZQR-UHFFFAOYSA-N 301.368 -0.414 30 20 DBED C#CCNC(=O)CN1CCN(Cc2ccoc2C(=O)O)CC1 736077066 XQCWBXXGRAJXLG-UHFFFAOYSA-N 305.334 -0.155 30 20 DBED Cn1cc(S(=O)(=O)NCCOC(=O)c2cc(C#N)c[nH]2)cn1 748227341 NSIOJCJRMHTOSI-UHFFFAOYSA-N 323.334 -0.245 30 20 DBED C#CCNS(=O)(=O)N1CCN([C@@H](C)c2cnccn2)CC1 767331570 KXMYOCIBOKQUJL-LBPRGKRZSA-N 309.395 -0.377 30 20 DBED C#CCCN1CCC(NC(=O)[C@H](NC(=O)C2CC2)[C@@H](C)O)CC1 779522200 YHJAOMXWRNKGGY-IUODEOHRSA-N 321.421 -0.134 30 20 DBED N#Cc1cnn2c(O)cc(COC(=O)[C@H]3CCC(=O)NC3)nc12 783026358 DSMMWMSITWFWRV-QMMMGPOBSA-N 315.289 -0.124 30 20 DBED C#CCOCCNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 784597597 CBAROVRFFHOOAA-UHFFFAOYSA-N 321.358 -0.509 30 20 DBED C=CCNC(=O)NC(=O)CN1C(=O)c2cccnc2S1(=O)=O 794432717 JECBGEJIOOTNBD-UHFFFAOYSA-N 324.318 -0.762 30 20 DBED C=C(C)CN1CCC(NC(=O)C(=O)NCC[S@@](C)=O)CC1 804896839 YZXMAXGMTVBPQA-OAQYLSRUSA-N 315.439 -0.362 30 20 DBED C#C[C@H](NC(=O)C(=O)NCCc1ccnn1C)[C@H]1CCCO1 808018697 ODHJJXXUUSVXAQ-QWHCGFSZSA-N 304.350 -0.624 30 20 DBED C#CCCS(=O)(=O)Oc1ccc(C(=O)NCC(N)=O)cc1 808292599 DZLXGKBFYSSFDI-UHFFFAOYSA-N 310.331 -0.366 30 20 DBED C#CCCS(=O)(=O)N[C@H]1C[C@H](C)N(c2cnn(C)c2)C1=O 808298902 BJTPEEAOAKTNIE-JQWIXIFHSA-N 310.379 -0.143 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@@H]1CCC[C@@H]1CCO)[C@@H]1CCCO1 809306063 MUFFJFDOWPNSLX-RQJABVFESA-N 308.378 -0.049 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCN(CCOC)CC1)[C@H]1CCCO1 809307160 ZQQKJEOUTCAZMF-UONOGXRCSA-N 323.393 -0.926 30 20 DBED C#CCNC(=O)CN(CC)c1c(O)nc(=O)n(CCCC)c1N 822024862 KUBSUEBTXNEBRQ-UHFFFAOYSA-N 321.381 -0.093 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C=C[C@H]2O1 828650896 QCUDXWLAXJKWFO-RRZJSNMYSA-N 304.302 -0.453 30 20 DBED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(C(=O)O)cc1 833376826 DXAJEMGEZSIVRE-UHFFFAOYSA-N 305.290 -0.258 30 20 DBED C=CCn1cc(C(=O)NS(=O)(=O)c2cnn(CC)c2)nn1 842731073 VEUDRMNLVGEHOP-UHFFFAOYSA-N 310.339 -0.201 30 20 DBED COC(=O)COCCNC(=O)N1CCN(C2CC2)[C@H](C#N)C1 858833289 GRNHJNMCJWURLY-GFCCVEGCSA-N 310.354 -0.442 30 20 DBED C#CC[C@H](CO)NS(=O)(=O)c1cnn(C2CCOCC2)c1 882343191 QYWZPYJFJSZFBB-LLVKDONJSA-N 313.379 -0.103 30 20 DBED C#CCNS(=O)(=O)N1CCN(Cc2cnc(C)n2C)CC1 895919463 UZYUPIMJSOHONO-UHFFFAOYSA-N 311.411 -0.686 30 20 DBED C#CC[C@@H](CO)NC(=O)NCC(=O)N(C)CCc1ccccn1 916457044 ARMDUAHORQSMOF-AWEZNQCLSA-N 318.377 -0.234 30 20 DBED C#CCN1CCC[C@@H](NC(=O)CCC(=O)N2CCC(O)CC2)C1 923566274 JUJLVALDXWBGJK-CQSZACIVSA-N 321.421 -0.036 30 20 DBED CCS(=O)(=O)N1CCC(CNC(=O)NCC#CCO)CC1 923771952 JCFIZGFMXPPXRO-UHFFFAOYSA-N 317.411 -0.657 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C2CN([C@@H]3CCN(C)C3=O)C2)CC1 941348829 QSAIKALKUGMRGB-TZMCWYRMSA-N 319.409 -0.795 30 20 DBED C[C@H]1CN(CC#N)CC[C@@H]1NC(=O)CN1CCC(=O)NC1=O 944017081 SFXGQTHPAAKICF-QWRGUYRKSA-N 307.354 -0.722 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CN2C(=O)CNC2=O)C[C@H]1C 948012939 RRZHTKMIKDDJRW-VXGBXAGGSA-N 306.366 -0.469 30 20 DBED CN1CC[C@H](C(=O)N[C@@H]2CCCN(C(=O)C#CC3CC3)C2)C1=O 950761254 HIDLYHHNFCNJMY-ZIAGYGMSSA-N 317.389 -0.015 30 20 DBED CN1C(=O)CC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)C#CC1CC1 951602567 NRNDMFPHQALTSQ-STQMWFEESA-N 303.362 -0.262 30 20 DBED C#Cc1cncc(C(=O)NC[C@H]2CCN2C(=O)c2cnn[nH]2)c1 952014735 SVZRCGHGIYULIJ-GFCCVEGCSA-N 310.317 -0.175 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H]1C1CCN(C(=O)C(N)=O)CC1 953485426 IDDGVZPBTSWLNQ-ZYHUDNBSSA-N 306.366 -0.139 30 20 DBED Cc1nnc2ccc(C(=O)NC[C@H]3CN(CC#N)C[C@@H]3O)cn12 958199244 GAJXHRJYNYMHAE-STQMWFEESA-N 314.349 -0.416 30 20 DBED N#CCN1C[C@H](O)[C@H](CNC(=O)c2cnn3c2OCCC3)C1 958220096 SKTOBVBOFDBVSX-PWSUYJOCSA-N 305.338 -0.788 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](CNC(=O)c2cccc(=O)n2C)C1 958394669 HYIIDURTBHIVLF-TZMCWYRMSA-N 305.378 -0.016 30 20 DBED C#CCCN1C[C@@H](O)[C@@H](CNC(=O)c2nn(CC)nc2C)C1 958762016 CZDRDUWLZGSBIU-QWHCGFSZSA-N 305.382 -0.348 30 20 DBED C#CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)Cn1cnnc1O 960261334 RZWDSLCWKUATAR-UKRRQHHQSA-N 311.345 -0.011 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H]2CN(C(=O)Cc3ncc[nH]3)C[C@@H]21 960877930 QUZMMAMBKYGWCN-GRYCIOLGSA-N 317.349 -0.450 30 20 DBED Cc1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)ns1 962543754 YTFDVEQTKMVHKY-XROYCOCOSA-N 308.363 -0.087 30 20 DBED O=C(C#CC1CC1)N1CCOC2(C1)CN(C(=O)[C@@H]1CCOC1)C2 965374369 LXGZSFFTFARSGV-CQSZACIVSA-N 318.373 -0.124 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CN(C(=O)Cn3ccnc3)CCO2)C1 965409203 GTTWYPSMNMKYTF-GFCCVEGCSA-N 317.349 -0.517 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(C[C@@H](NC(=O)c3ccon3)CO2)C1 965636158 ACSSHEBPSDOBKW-VHSXEESVSA-N 304.306 -0.066 30 20 DBED C[C@H](NC(=O)c1ccc(C#N)[nH]1)C1CN(Cc2nnn(C)n2)C1 969513696 FGQQVXYTRBHPIY-VIFPVBQESA-N 314.353 -0.340 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCC(=O)N3)C[C@@H]2O)C1 970395227 UMXRKQDVGZQSAH-TUAOUCFPSA-N 321.377 -0.691 30 20 DBED CC#CCN1CC([C@H](C)NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 970517541 DWOLRKUPRXMGOL-NSHDSACASA-N 318.377 -0.843 30 20 DBED Cc1nnc(CC(=O)N[C@H]2[C@@H]3CN(C(=O)[C@@H](C)C#N)C[C@@H]32)o1 976454617 NAOGONMYZSJPHC-UFAOYGAJSA-N 303.322 -0.347 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)c3ccc(C(N)=O)[nH]3)[C@H]2C1 977213991 YIYSIPNXKDSZMJ-XBWDGYHZSA-N 315.333 -0.540 30 20 DBED C[C@H](NCc1cn(C)nn1)[C@@H]1CN(C(=O)C#CC2CC2)CCO1 979325640 CDHVJNVGYRCNTQ-WFASDCNBSA-N 317.393 -0.066 30 20 DBED CC#CCN1CCCN(C(=O)CCc2nnc(O)nc2O)CC1 981534576 DXBRXLQDLPNVRN-UHFFFAOYSA-N 319.365 -0.227 30 20 DBED C#CCCN1CCCN(C(=O)[C@@H]2Cc3cncn3C(=O)N2)CC1 981663319 NBNKFFZYBORKPZ-AWEZNQCLSA-N 315.377 -0.077 30 20 DBED C=CCCN1CCCC2(C1)CN(C(=O)CN1CCNC(=O)C1)C2 981933190 MVJACGGJTAZHSN-UHFFFAOYSA-N 320.437 -0.081 30 20 DBED CN1C[C@@H](C(=O)NC[C@@H]2CCN(C(=O)C#CC3CC3)C2)NC1=O 982740673 ZDTHAUHIHVCHBA-STQMWFEESA-N 318.377 -0.612 30 20 DBED CN(CC#N)C1CCN(C(=O)CC[C@@H]2NC(=O)NC2=O)CC1 985782063 PTVMYQIZAXXYNH-NSHDSACASA-N 307.354 -0.579 30 20 DBED CN(CC#N)C1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)CC1 985793948 WVFRXSRCYXHYIV-LLVKDONJSA-N 300.384 -0.876 30 20 DBED C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2ccc(=O)n(CCOC)n2)C1 989147111 XTEDWLBXOYTFCD-CHWSQXEVSA-N 318.377 -0.285 30 20 DBED N#Cc1ccc(C(=O)NC2CN(C(=O)C[C@@H]3COC(=O)C3)C2)[nH]1 990887761 GJRHUMVPHFNVKW-VIFPVBQESA-N 316.317 -0.220 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CN(C(=O)Cn3cncn3)C[C@@]2(C)C1 993353161 JIIVQTIVGXARAU-ZOWXZIJZSA-N 316.365 -0.255 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)c2cccc(C(N)=O)c2)C1 995118033 SZLZHYGBVFLXRL-VIFPVBQESA-N 300.318 -0.114 30 20 DBED C=CCn1cc(C(=O)N2CC(NC(=O)[C@@H]3[C@H]4COC[C@H]43)C2)nn1 997944502 CWGQWUDOULNLDU-PJXYFTJBSA-N 317.349 -0.703 30 20 DBED CN1C[C@H](C(=O)NCC2CN(C(=O)C#CC3CC3)C2)CCC1=O 1002490681 HMQMBCDVBVAWBP-CQSZACIVSA-N 317.389 -0.157 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@@H]2CCOC2)C1 1002826563 NGLWAVJZQGGENY-CABCVRRESA-N 319.405 -0.305 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCCN(C(=O)[C@H]3CCNC3=O)C2)C1 1010837403 QMQJXPVUSGJXNU-NEPJUHHUSA-N 318.377 -0.267 30 20 DBED C#CCN1CCC2(CC1)C[C@@H]2NC(=O)C[C@H]1CC(=O)NC1=O 1017003757 OGIPDYMDBPHRSN-RYUDHWBXSA-N 303.362 -0.357 30 20 DBED C=CCn1cc(C(=O)N2C[C@H](NC(=O)C(N)=O)CC[C@@H]2C)nn1 1018377592 DLMNIFRKUXRRQG-VHSXEESVSA-N 320.353 -0.941 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H](NCc2nnnn2C)C1 1020167970 OZFQIUOTBMOVAX-LPWJVIDDSA-N 320.397 -0.072 30 20 DBED C=C(Cl)CN[C@H]1C[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)C1 1022968867 WDGRICFRYKUXCP-AOOOYVTPSA-N 314.773 -0.130 30 20 DBED C#CCN[C@@H]1CC[C@@H]2CN(C(=O)CN3CCN(C)C(=O)C3)C[C@@H]21 1026298195 MVARUECACIBSKK-QLFBSQMISA-N 318.421 -0.780 30 20 DBED C=CCN[C@@H]1CC[C@@H]2CN(C(=O)CN3CC(=O)NC3=O)C[C@@H]21 1026378687 YBHVFEVDNATYGT-GRYCIOLGSA-N 306.366 -0.449 30 20 DBED CC(=O)N1CCOC[C@H]1C(=O)NC1CCC(NCC#N)CC1 1026608144 KWJFWMBOYURING-RUXDESIVSA-N 308.382 -0.226 30 20 DBED CC#CCN1CCC[C@@H]1CNC(=O)[C@H]1CCN(C)S1(=O)=O 1028196585 OCTGAGYPAXFLBQ-CHWSQXEVSA-N 313.423 -0.376 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CN(C)Cc2nc(=O)n(C)[nH]2)CC1 1029946735 VAMUVDSFNKWNAY-LLVKDONJSA-N 320.397 -0.062 30 20 DBED Cn1nnc(CN2CC(CNC(=O)c3ccc(C#N)[nH]3)C2)n1 1031620524 LJSLFPZDKCFJFE-UHFFFAOYSA-N 300.326 -0.728 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)CN3CCN(C)C(=O)C3)CC[C@@H]21 1036752671 CXLWESAHVFDQDY-CABCVRRESA-N 318.421 -0.684 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2CCN2Cc2ncnn2C)nn1 1038789024 DOACBWFEVNTZSJ-LLVKDONJSA-N 316.369 -0.403 30 20 DBED C=CCCOCC(=O)NC[C@]1(O)CCN(C(=O)c2cocn2)C1 1040162365 VNSNYJNCFRYQSQ-OAHLLOKOSA-N 323.349 -0.040 30 20 DBED N#Cc1nccc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCCO3)C2)n1 1040976470 UKCVEULSTOHWMX-IJLUTSLNSA-N 317.349 -0.417 30 20 DBED N#Cc1nccnc1N1C[C@@H](O)[C@H](NC(=O)[C@H]2CC2(F)F)C1 1041012924 XIIZRNHBLPUSLY-SZEHBUNVSA-N 309.276 -0.331 30 20 DBED C#CCN1CC[C@]2(CCN(C(=O)c3cc(=O)n(C)cn3)C2)C1 1041373952 ZUEBOKJIAGMNLC-INIZCTEOSA-N 300.362 -0.049 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)c2snnc2C)C1 1041419937 PXLCGRKFUWRRPX-UHFFFAOYSA-N 322.390 -0.047 30 20 DBED CCCC(=O)NCC(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1041783689 IYHBPYNAFLTTRT-UHFFFAOYSA-N 321.377 -0.994 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)Cn2ccnc2C)C1 1041963371 MRQJOUCUETYUKW-UHFFFAOYSA-N 306.366 -0.153 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)[C@@H]2CCCOC2)C1 1042003989 SGQNNCFDXZXZIS-QWHCGFSZSA-N 324.377 -0.859 30 20 DBED C=C(C)C(C)(C)C(=O)N1CC(O)(CNC(=O)[C@H]2CCC(=O)N2)C1 1042073579 BDBFLZDSZOTHAG-LLVKDONJSA-N 323.393 -0.443 30 20 DBED C[C@H]1C[C@H]1C(=O)N1CC(O)(CNC(=O)c2cc(C#N)c[nH]2)C1 1042400938 IFHQJUOSWSEBDT-GXSJLCMTSA-N 302.334 -0.155 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)[C@H]2CC23CCC3)C1 1043075174 TZUBTDMVEIFOMT-CHWSQXEVSA-N 320.389 -0.096 30 20 DBED C=CCn1cc(C(=O)NCC2(O)CN(C(=O)[C@H]3C[C@H]3C)C2)nn1 1043105957 LSMJLEYKHSCOIV-MNOVXSKESA-N 319.365 -0.577 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)C=C(C)C)C1 1043649018 JFLAEIJWDJUSRR-AWEZNQCLSA-N 319.405 -0.260 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)CCc2ccon2)C1 1043875834 KNOJISVWYNWRDP-JTQLQIEISA-N 306.322 -0.544 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)c2ccc(F)nc2)C1 1045541542 XENAMCUMJSTQRA-SECBINFHSA-N 306.297 -0.317 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)[C@H]2C[C@@H]2C(F)F)C1 1045541579 XXHMBPMCYVOVRS-CIUDSAMLSA-N 301.293 -0.263 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)c2cnn3cc[nH]c23)C1 1045547171 WLMFTNHKNMMQQR-SECBINFHSA-N 316.321 -0.875 30 20 DBED CCn1cc(C(=O)NCC2(O)CN(C(=O)C#CC(C)C)C2)nn1 1045578283 RWGHRCZTZXIFON-UHFFFAOYSA-N 319.365 -0.740 30 20 DBED C#CCN1C[C@H]2C[C@H](NC(=O)c3nccnc3C(N)=O)C[C@H]1C2 1047196185 VJEFFMUQBYPEPO-SDDRHHMPSA-N 313.361 -0.209 30 20 DBED Cc1c(C(=O)N(C)[C@H]2CN(CC#N)C[C@@H]2O)nn2c1OCCC2 1047405522 HYILWNWGOJGUMX-RYUDHWBXSA-N 319.365 -0.385 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C(N)=O)cn2C)C1 1047443639 KNAYQIPXXHIOKQ-STQMWFEESA-N 306.366 -0.573 30 20 DBED CCn1nc(C(=O)N2C[C@@H]3CN(CC#N)C[C@@H]3C2)ccc1=O 1049118458 XXFNFNPBWRZFNU-TXEJJXNPSA-N 301.350 -0.209 30 20 DBED C=CC(C)(C)C(=O)N(C)[C@H]1CN(C(=O)Cn2nccn2)C[C@@H]1O 1049175782 ASBINPMWKCMEKL-RYUDHWBXSA-N 321.381 -0.480 30 20 DBED C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H]1CC(=O)NC1=O 1049933821 NDPMVNARFPJKAX-RWMBFGLXSA-N 303.362 -0.262 30 20 DBED C=CCN1CCOC[C@H]1CNC(=O)c1cccn2nnnc12 1050933561 FISUAGZQWNPCIN-LLVKDONJSA-N 302.338 -0.259 30 20 DBED CC#CCN1CCC[C@H](NC(=O)CN2CCOCC2=O)CC1 1052447577 HZJWVJHSHPOXML-AWEZNQCLSA-N 307.394 -0.161 30 20 DBED C[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1CNC(=O)Cc1nc[nH]n1 1052554379 OYEALPVIDKVSEY-WCQYABFASA-N 315.377 -0.029 30 20 DBED C[C@H](O)CN1CC2(C1)CN(C(=O)c1ccc(C#N)[nH]1)CCO2 1053223621 BOGLZFPECFZEQP-NSHDSACASA-N 304.350 -0.206 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCOC2(CN(CCF)C2)C1 1053291261 GFPFAAPUVNXCFJ-AWEZNQCLSA-N 309.385 -0.033 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)c3ccc(C(N)=O)[nH]3)CO2)C1 1053926836 MLGFHTXEVBSGKC-NSHDSACASA-N 316.361 -0.290 30 20 DBED C#CCN[C@H]1CN(C(=O)Cn2nc3ccccn3c2=O)C[C@@H]1C 1054951354 LZZMUJHOXQQRJH-STQMWFEESA-N 313.361 -0.434 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@@H]2CN(C(=O)c3ncc[nH]3)C[C@@H]2C1 1055322320 AEEFBWGBHPGSOY-UPJWGTAASA-N 316.361 -0.022 30 20 DBED C#CCO[C@H](C)C(=O)NCCN(CCO)C(=O)c1ccoc1 1056965263 KCEUYJDFJJYQFF-GFCCVEGCSA-N 308.334 -0.131 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)Cc1ccon1 1057439226 CQSBXEFQFWWGMF-UHFFFAOYSA-N 307.350 -0.042 30 20 DBED C=CCO[C@H](C)C(=O)N(CCO)CCNC(=O)C#CC1CC1 1057922060 WEIZTXOOHNINEC-CYBMUJFWSA-N 308.378 -0.072 30 20 DBED Cc1nc[nH]c1C(=O)N(CCO)CCNC(=O)C#CC1CC1 1058063693 VTCBORBFYAMCDS-UHFFFAOYSA-N 304.350 -0.318 30 20 DBED CCn1nncc1C(=O)N[C@@H]1CCN(c2nccnc2C#N)C1 1058353972 UHTKBKPWRNARDR-SNVBAGLBSA-N 312.337 -0.032 30 20 DBED C=CC(C)(C)C(=O)NCCN(CCO)C(=O)c1cn(C)c(O)n1 1058717912 QUZWQCWNZKFQRF-UHFFFAOYSA-N 324.381 -0.111 30 20 DBED C[C@]1(C(=O)N[C@H]2C[C@H](N=c3cc[nH]cc3C#N)C2)CNC(=O)C1 1059355205 IHUXFZUEVQWLNL-XHBSWPGZSA-N 313.361 -0.040 30 20 DBED N#Cc1nc(=NC[C@H]2CCN(C(=O)Cc3ncc[nH]3)C2)cc[nH]1 1060914555 WNDGMSXARXQBMO-LLVKDONJSA-N 311.349 -0.004 30 20 DBED Cn1nnc(C(=O)N2CC[C@H](CNc3nccnc3C#N)C2)n1 1060962404 BJWODEXPSBXCNM-SECBINFHSA-N 313.325 -0.554 30 20 DBED N#Cc1cncc(N2CCC[C@H]2CNC(=O)[C@@H]2COCCO2)n1 1061298686 OMYALFNKILJQKS-STQMWFEESA-N 317.349 -0.151 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1CCN(C)C1 1061568223 DNIKJTJXJBHAMV-HUUCEWRRSA-N 321.421 -0.059 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCOC[C@H]1CNC(=O)c1cnn[nH]1 1061696769 CBGCWPRTMXNWTQ-QMTHXVAHSA-N 323.353 -0.911 30 20 DBED Cc1nn[nH]c1C(=O)NC[C@H]1COCCN1C(=O)C#CC(C)C 1061745041 ASLXRKLSYACCOO-LBPRGKRZSA-N 319.365 -0.270 30 20 DBED Cc1cc(C#N)nc(N[C@H]2CCN(C(=O)C(N)=O)[C@@H](C)C2)n1 1064821861 BZPDJPZTYIYGJJ-UWVGGRQHSA-N 302.338 -0.067 30 20 DBED N#Cc1cncc(NC[C@@H]2CCCN2C(=O)[C@@H]2COC(=O)N2)n1 1064902605 RMXJLKVTVAFHER-QWRGUYRKSA-N 316.321 -0.140 30 20 DBED C#CCNC(=O)CC(=O)N1CCO[C@@H](CNC(=O)C2(C)CC2)C1 1065067990 URMTYHCPIALJLO-LBPRGKRZSA-N 321.377 -0.730 30 20 DBED C=CCn1cc(C(=O)N2CCO[C@@H](CNC(=O)COC)C2)nn1 1065165114 GRRZYLAZYJZAME-NSHDSACASA-N 323.353 -0.932 30 20 DBED C[C@@]1(NC(=O)[C@@H]2COC(=O)N2)CCN(c2ccc(C#N)nn2)C1 1065250975 MMJGFTYGCMUTSZ-IINYFYTJSA-N 316.321 -0.458 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)[C@H](C)CC(N)=O)CCO1 1065420861 OFCINWLJITVOBR-CHWSQXEVSA-N 323.393 -0.355 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CCCN(C(=O)Cn2cnnc2O)CC1 1066474953 LROUCGFRAKWVMC-QWRGUYRKSA-N 320.353 -0.359 30 20 DBED N#Cc1cccnc1N1C[C@@H](O)[C@H](CNC(=O)c2cncnc2)C1 1067664650 FSLQZTXAAIKRBA-ZIAGYGMSSA-N 324.344 -0.030 30 20 DBED N#Cc1ccc(NCC2CC(NC(=O)[C@H]3CCNC3=O)C2)nn1 1067876751 XDHPSYVOXWNNER-NHNAUAITSA-N 314.349 -0.209 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@@]2(CCCN(C(=O)C(N)=O)C2)C1 1069776971 VZJDYTRXBVNTAW-MLGOLLRUSA-N 321.377 -0.649 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CCCN(C(=O)CC(=O)NC)C1 1070653671 DGBZLBBEXHPKII-VXGBXAGGSA-N 309.366 -0.732 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)c2[nH]nnc2C)C[C@H]1C 1072492866 IFJGBRYFGKZWGX-MWLCHTKSSA-N 307.354 -0.108 30 20 DBED C[C@@H]1CN(C(=O)c2nnn(C)n2)CC[C@H]1NC(=O)C#CC1CC1 1073955496 WRGWFEZZUONQEA-ZYHUDNBSSA-N 316.365 -0.410 30 20 DBED Cc1[nH]nc(C(=O)N2CC[C@@H]3OCCN(CC#N)[C@H]3C2)c1O 1074218937 HQTQZUZDHHBZCH-QWRGUYRKSA-N 305.338 -0.137 30 20 DBED Cn1ccc(CN2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)n1 1076907292 JGHLXJBRCGTPMS-ZIAGYGMSSA-N 314.349 -0.405 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)c2cc(=O)c(OC)co2)C1 1077389070 IURJZMSDINLBEL-ZYHUDNBSSA-N 308.334 -0.001 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3nncn3CC2)C1 1077411879 DRSUOKUDINGVDT-MGPQQGTHSA-N 317.393 -0.585 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)c2cn([C@H]3CCOC3)nn2)C1 1077965764 OCKCSYOZXKTGHE-OUCADQQQSA-N 319.365 -0.962 30 20 DBED N#CCN[C@H]1C[C@@H](NC(=O)C2CC(=O)NC(=O)C2)C12CCC2 1078748575 BIETUWGFIIYJKC-WDEREUQCSA-N 304.350 -0.420 30 20 DBED C=CCOCC(=O)N(CC)C1CN(C(=O)c2[nH]nnc2C)C1 1079493868 JVRLHFPJIKLLOW-UHFFFAOYSA-N 307.354 -0.011 30 20 DBED C=CCO[C@H](C)C(=O)N1CC(N(CC)C(=O)CC(=O)NC)C1 1079657300 CERMHYANSUUMCL-LLVKDONJSA-N 311.382 -0.227 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)C2(C(N)=O)CC2)C1 1080399674 XQWHUSKRUXNPQH-NSHDSACASA-N 321.377 -0.651 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@@H]1O 1081336256 WHCQYYUTDGFNCL-MNOVXSKESA-N 309.366 -0.846 30 20 DBED CCC(CC)N1C[C@@H](C(=O)N[C@@H]2CN(CC#N)C[C@@H]2O)CC1=O 1083503790 CGURMCIEFGWQCP-YUTCNCBUSA-N 322.409 -0.292 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)c2cc(C(N)=O)cn2C)C1 1083607637 IELNTBPONNBMCQ-YPMHNXCESA-N 306.366 -0.525 30 20 DBED COc1ccn2c(C(=O)N[C@@H]3CN(CC#N)C[C@@H]3O)cnc2c1 1083641560 RPIDFXYGJDMWLS-YPMHNXCESA-N 315.333 -0.359 30 20 DBED C=CCCn1cc(C(=O)N[C@H]2CCN(CC(N)=O)[C@@H]2C)nn1 1088910748 FCUWUJTUHCFUTE-MNOVXSKESA-N 306.370 -0.468 30 20 DBED C#CCN1CC[C@@H](NC(=O)CN2CCNC(=O)C2)CC(C)(C)C1 1089456367 HSFLLYBCPDWENT-CQSZACIVSA-N 320.437 -0.342 30 20 DBED COC[C@@H](C)CC(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1O 1090475527 IGBJDEGCWTZSRA-CYZMBNFOSA-N 319.365 -0.313 30 20 DBED CN(C)c1cc(C(=O)N[C@H]2CCN(CC#N)C[C@@H]2O)ccn1 1090614604 APOYZPZDMZWQMN-STQMWFEESA-N 303.366 -0.164 30 20 DBED CN(C)CCn1cc(C(=O)N[C@@H]2CCN(CC#N)C[C@H]2O)cn1 1090638981 UCDYNDNBQXUMTJ-ZIAGYGMSSA-N 320.397 -0.867 30 20 DBED N#Cc1ccc(N[C@H]2C[C@H](CNC(=O)Cn3ncnn3)C2)nc1 1091482108 CHOJREVFMRKKRH-HAQNSBGRSA-N 312.337 -0.053 30 20 DBED N#Cc1nccnc1N1CC[C@H](NC(=O)C#CC2CC2)[C@@H](O)C1 1092150147 BOYCDWUMNCBUHZ-JSGCOSHPSA-N 311.345 -0.183 30 20 DBED N#Cc1ccc(NCCNC(=O)CC[C@H]2NC(=O)NC2=O)cn1 1093624357 GGMJQPOYNRVIMB-LLVKDONJSA-N 316.321 -0.530 30 20 DBED N#Cc1nc(=NCCNC(=O)[C@H]2CCc3ncncc3C2)cc[nH]1 1093935462 WQMPDGOSULXMJC-NSHDSACASA-N 323.360 -0.107 30 20 DBED C#CCN1CC(n2cc(CNC(=O)c3cnnc(O)c3)nn2)C1 1094298721 YRDIMXNYVJUSSE-UHFFFAOYSA-N 313.321 -0.806 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)c3ccc(C)nn3)CC2=O)C1 1094735512 QIJZIOKHJKASDA-LBPRGKRZSA-N 313.361 -0.567 30 20 DBED C[C@H](NC(N)=O)C(=O)N1CC[C@H](N=c2cc[nH]cc2C#N)C1 1096930208 AOZORKISBCSHQB-ONGXEEELSA-N 302.338 -0.555 30 20 DBED CS(=O)(=O)CCC(=O)N1CC[C@H](N=c2cc[nH]c(C#N)n2)C1 1096982942 PZYVIPCNNBHJHX-JTQLQIEISA-N 323.378 -0.782 30 20 DBED N#CCN(CCO)C1CCN(C(=O)CO[C@@H]2CCOC2)CC1 1098369868 XCHLLBILAIBBNE-CQSZACIVSA-N 311.382 -0.399 30 20 DBED C[C@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)CC2(CCN(CC#N)CC2)O1 1098639451 XCKUKDGBUZNHSB-XQQFMLRXSA-N 320.393 -0.287 30 20 DBED CS(=O)(=O)CC(=O)N1C[C@@H](NCC#N)[C@H](C(F)(F)F)C1 1099221605 KZJKYZDGSMTZRW-HTQZYQBOSA-N 313.301 -0.467 30 20 DBED C=C(Cl)CN1CC[C@@H](NC(=O)CC(=O)NCC)[C@@H](O)C1 1099789871 UBEXNJSGXMIYLR-MNOVXSKESA-N 303.790 -0.184 30 20 DBED C#CCCCC(=O)N[C@@H]1CCN(CC(=O)NC2CC2)C[C@H]1O 1099808021 ZYEXZXSBBKUKAT-ZIAGYGMSSA-N 307.394 -0.380 30 20 DBED C#CCOCCC(=O)N[C@H]1CCN(Cc2cnon2)C[C@H]1O 1099836404 ZHIUFYHWQKLOHM-QWHCGFSZSA-N 308.338 -0.839 30 20 DBED CC#CCN1CC[C@@H](NC(=O)COc2cc(C)on2)[C@H](O)C1 1099884754 CBMNDICHBVPSQK-CHWSQXEVSA-N 307.350 -0.063 30 20 DBED C#CCNC(=O)CC(=O)NCCN(C)c1nc(C)cc(C#N)n1 1100037539 DXUIUBRNNVMKEF-UHFFFAOYSA-N 314.349 -0.651 30 20 DBED CCn1cc(C(=O)N[C@H]2CCN(CC#CCOC)C[C@H]2O)nn1 1100054148 UFUITHWSCFHSEZ-GXTWGEPZSA-N 321.381 -0.887 30 20 DBED C=CCN1CC[C@@H](NC(=O)CNC(=O)c2cscn2)[C@@H](O)C1 1100064755 QVMIPSWPJMECTR-PWSUYJOCSA-N 324.406 -0.390 30 20 DBED C=CCNC(=O)NC(=O)CNC1CC(CNC(=O)[C@H](C)C#N)C1 1100191686 UAJLUVYHFYNOJG-VOMCLLRMSA-N 321.381 -0.358 30 20 DBED C=CCn1cc(C(=O)NCCN(C)c2nccnc2C#N)nn1 1100360283 HERSQPFOJHBEOJ-UHFFFAOYSA-N 312.337 -0.008 30 20 DBED C[C@@H](C(=O)NCCN(C)c1ccc(C#N)nc1)S(C)(=O)=O 1100393914 BMTXIMKXQFGBFN-JTQLQIEISA-N 310.379 -0.061 30 20 DBED CCN(CCNC(=O)[C@@H]1CC[C@H]1C(N)=O)c1ccnc(C#N)n1 1100695320 TUSBPWANLPKAKJ-GHMZBOCLSA-N 316.365 -0.198 30 20 DBED C#CCNC1CC(CNC(=O)CS(=O)(=O)N(CC)CC)C1 1100722795 ZHGGORKQMHHMCH-UHFFFAOYSA-N 315.439 -0.224 30 20 DBED C#CCNC(=O)[C@H](C)NC1CC(CNC(=O)c2nc(C)c[nH]2)C1 1100744172 LRZIOJWTFWYJFS-HIFPTAJRSA-N 317.393 -0.046 30 20 DBED C=C(Cl)CNC1CC(CNC(=O)Cn2c(O)nnc2O)C1 1100919624 FPPNKJBXZQFWIC-UHFFFAOYSA-N 315.761 -0.074 30 20 DBED COC(=O)NCC(=O)N(C)[C@@H]1CCN(c2cnc(C#N)cn2)C1 1102671864 UOPSIGQZOHIBIF-LLVKDONJSA-N 318.337 -0.259 30 20 DBED C#CCNCc1cn(C2CN(C(=O)c3cnc(C)cn3)C2)nn1 1105142970 ZTOQFEVPFHCTPD-UHFFFAOYSA-N 311.349 -0.204 30 20 DBED C#CCCNCc1cn(C2CN(C(=O)CNC(=O)CC)C2)nn1 1105192699 VELUTAYUBCDCGA-UHFFFAOYSA-N 318.381 -0.700 30 20 DBED CCn1ncc(C(=O)NC[C@@H](O)CNc2ncccc2C#N)n1 1105822269 MRGIEYHHFXSXLK-NSHDSACASA-N 315.337 -0.233 30 20 DBED N#Cc1nc(=NC[C@@H](O)CNC(=O)C[C@@H]2CCCOC2)cc[nH]1 1105859164 YWCFRIKMICTPDZ-NWDGAFQWSA-N 319.365 -0.524 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)C[C@H]2CCC(=O)N2)nc1 1105894485 POFKSKNHXGBWOZ-VXGBXAGGSA-N 317.349 -0.489 30 20 DBED Cc1nsc(NC[C@H](O)CNC(=O)Cn2nccn2)c1C#N 1105985556 OHAHIFQSUVTKSJ-SECBINFHSA-N 321.366 -0.496 30 20 DBED C=C(C)CCC(=O)NC[C@H](O)CNc1ccc2nnnn2n1 1105986031 AHUGWGQKIDJZGL-SNVBAGLBSA-N 305.342 -0.235 30 20 DBED N#Cc1nc(=NC[C@@H](O)CNC(=O)[C@@H]2C[C@H]2C2CC2)cc[nH]1 1106149003 USKNCRHSMRDSKR-GRYCIOLGSA-N 301.350 -0.295 30 20 DBED C[C@@H]1OCCO[C@@H]1C(=O)NC[C@H](O)CNc1ccc(C#N)nn1 1106160730 FJSOOBHLQJGJAK-NDMJEZRESA-N 321.337 -0.959 30 20 DBED N#Cc1cncc(NC/C=C\CNC(=O)CCn2cnnn2)n1 1107299558 CHFUTWCFMMFPEP-UPHRSURJSA-N 313.325 -0.491 30 20 DBED N#Cc1c[nH]ccc1=NC/C=C/CNC(=O)[C@@H]1CC[C@@H]1C(N)=O 1107453471 YUEDAKXWYCKWSW-RPNDHJKISA-N 313.361 -0.029 30 20 DBED C=C[C@@H](CC)CC(=O)N[C@H]1CC(=O)N(C2CN(CC(N)=O)C2)C1 1108566843 OVHGCEOLDQQMOP-RYUDHWBXSA-N 322.409 -0.525 30 20 DBED C[C@]1(NC(=O)Cc2nc[nH]n2)CCN(c2ccnc(C#N)n2)C1 1110791154 ABZLUMPTKJSUKK-AWEZNQCLSA-N 312.337 -0.206 30 20 DBED C[C@H]1C[C@H](NC(=O)CC(N)=O)CCN1c1ccnc(C#N)n1 1112460654 XNXJOSGNHWVNFX-VHSXEESVSA-N 302.338 -0.303 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)CNC(=O)CCC)CC1 1112661544 BWZVXLDDAGFVHU-ZDUSSCGKSA-N 322.409 -0.815 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(c2ncccn2)C[C@@H]1O 1112738913 SVMHUCBYBVDUAS-OLZOCXBDSA-N 304.350 -0.570 30 20 DBED COCC#CCN1CCN(C(=O)[C@]2(C)CCC(=O)NC2)CC1 1113239671 LUDYYIHHGACYCQ-MRXNPFEDSA-N 307.394 -0.303 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3cnnn3CC)[C@H]2C1 1114225875 CDTYZGFJGMJHTN-YABSGUDNSA-N 318.381 -0.740 30 20 DBED C=CCCCN1C[C@H]2C(NC(=O)CCS(=O)(=O)NC)[C@@H]2C1 1114273427 MOTGNQJDIPADJO-VXGBXAGGSA-N 315.439 -0.062 30 20 DBED N#Cc1cnc(N2C[C@H]3[C@H](CNC(=O)C(N)=O)[C@H]3C2)c(F)c1 1114619861 FMTGWDHUEKQJMX-OWUUHHOZSA-N 303.297 -0.624 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)c3coc(OC)n3)[C@H]2C1 1114623626 BZGAYAGIJAWARM-UWVGGRQHSA-N 320.349 -0.355 30 20 DBED CN1CCC(C(=O)NC2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]23)CC1 1114775044 ZGGLWENMNFENML-CHWSQXEVSA-N 319.409 -0.986 30 20 DBED COC[C@@H](OC)C(=O)N[C@H]1C[C@H](CN=c2cc[nH]c(C#N)n2)C1 1114813946 YWEVGCKZCFRZFA-IJLUTSLNSA-N 319.365 -0.262 30 20 DBED C[C@@H](CN(C)C(=O)CS(C)(=O)=O)Nc1ccc(C#N)nn1 1115632922 XXKXLGPENFIZAJ-VIFPVBQESA-N 311.367 -0.348 30 20 DBED COCCN1CCN(C(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)CC1=O 1118119495 OAGWMZCBCSPSGM-NWDGAFQWSA-N 322.365 -0.888 30 20 DBED CC(=O)N1CCCN(C(=O)C(=O)Nc2cccc(C#N)n2)CC1 1118201495 XFWJIMRAXIKPEO-UHFFFAOYSA-N 315.333 -0.027 30 20 DBED C#CC1CCN(C(=O)C(=O)N[C@H]2CS(=O)(=O)C[C@H]2C)CC1 1119518299 RVIDLIDELBCVCK-PWSUYJOCSA-N 312.391 -0.593 30 20 DBED C[C@H](CN(C)C(=O)CCc1cnn[nH]1)N=c1cc[nH]c(C#N)n1 1120673386 ZDLXLILFVYDGQP-SNVBAGLBSA-N 314.353 -0.220 30 20 DBED COCCOCC(=O)NC[C@H](CO)Nc1ccc(C#N)cn1 1121214072 WGJUCWVHOHXPDD-GFCCVEGCSA-N 308.338 -0.495 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)C23CCN(CC2)C3)nc1 1121805239 AIZKKDZUWUBPCN-CYBMUJFWSA-N 315.377 -0.062 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@@H]3CCNC[C@@H]3C2)C1=O 1122302747 ZOYKZRGOZOGNBI-WDEREUQCSA-N 320.349 -0.969 30 20 DBED N#Cc1c[nH]ccc1=N[C@H](CO)CNC(=O)[C@@H]1[C@H]2COC[C@H]21 1122372223 NPTFNYCSOYZAMK-CIQGVGRVSA-N 302.334 -0.843 30 20 DBED Cc1nc(C)c(C(=O)NC[C@H](CO)N=c2cc[nH]c(C#N)n2)[nH]1 1122595166 ZAUKSWVGEBTTOD-SNVBAGLBSA-N 315.337 -0.687 30 20 DBED C[C@H]1[C@H](N=c2cc[nH]cc2C#N)CCN1C(=O)CNC(N)=O 1122929704 GUUQDXCCZNTODY-GXSJLCMTSA-N 302.338 -0.555 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)CSCC#N 1124111736 LSZDYHCVGWTKNI-JTQLQIEISA-N 320.378 -0.742 30 20 DBED CCN(CC)CC(=O)N(C)C[C@H](O)CNc1ccc(C#N)nn1 1124364189 FERJWQBPLFUHMH-CYBMUJFWSA-N 320.397 -0.079 30 20 DBED C[C@@H](C#N)C(=O)N(C)C[C@@H](O)CN(C)c1ccnc(C#N)n1 1124988579 LGNSQSMZKYLERX-QWRGUYRKSA-N 302.338 -0.237 30 20 DBED C[C@@H](C#N)C(=O)N(C)C[C@H](O)CN(C)c1ccnc(C#N)n1 1124988580 LGNSQSMZKYLERX-WDEREUQCSA-N 302.338 -0.237 30 20 DBED CC#CCN[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]1n1ccnn1 1130137117 JVUIOMSYICMHFQ-CABCVRRESA-N 318.425 -0.017 30 20 DBED C=C(C)CN[C@@H]1CN(C(=O)CCCC(N)=O)C[C@@H]1n1ccnn1 1130153506 WCPLFCQXCRUZID-OLZOCXBDSA-N 320.397 -0.149 30 20 DBED COCC#CCNCCNC(=O)c1cn2c(n1)C[C@@H](OC)CC2 1130162746 HHXUECLWCWYWTP-ZDUSSCGKSA-N 320.393 -0.187 30 20 DBED C=CCNC[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)COC)n1 1130173374 ODHTXJKGJDFMTB-QWRGUYRKSA-N 309.370 -0.285 30 20 DBED COCC#CCNCCNC(=O)c1ccnc2c1CC(=O)N2 1130819386 SKKPJJDXLHAJPY-UHFFFAOYSA-N 302.334 -0.455 30 20 DBED C#CCNC(=O)CN1C[C@H](NC(=O)CC(=O)N(C)C)CC[C@@H]1C 1132345685 RTKNUYZGUDGPDA-QWHCGFSZSA-N 322.409 -0.817 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)[C@@H]1CC[C@@H]1C(N)=O 1132362848 NTVADJDXFKKGSR-QWHCGFSZSA-N 322.409 -0.596 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)CCN(C)C 1133294777 TWQTYBHBQHLKKR-NSHDSACASA-N 313.402 -0.956 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)c1nc2ncccn2n1 1135550425 IWHPZAAUVMLRAV-JTQLQIEISA-N 317.353 -0.866 30 20 DBED C=CCNC(=O)CN1CCC2(C1)CN(C(=O)[C@@H]1CCCN1C)C2 1147212150 OPKUTLPCCCDQSM-AWEZNQCLSA-N 320.437 -0.083 30 20 DBED C#CCOc1ncccc1C(=O)NCCN[C@@H]1CCNC1=O 1148302296 KEXQOWLYMQSVOB-GFCCVEGCSA-N 302.334 -0.699 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@@]12CCCN(CC1)C2 1149239957 SONRZEBGMILQAD-CJNGLKHVSA-N 308.426 -0.131 30 20 DBED CCN(C)C(=O)CN1CCCO[C@@H](CNC(=O)[C@H](C)C#N)C1 1149397781 HCICYHXAPFXXPX-OLZOCXBDSA-N 310.398 -0.169 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CN(CC(=O)NCC2CC2)CCCO1 1149399849 UYQWPEYQSVWBIA-JSGCOSHPSA-N 322.409 -0.121 30 20 DBED Cn1nnc(CN2CCCO[C@H](CNC(=O)C#CC3CC3)C2)n1 1149694666 RINNHWYHPMPKGI-CYBMUJFWSA-N 318.381 -0.669 30 20 DBED CC[C@]1(C(=O)NC[C@@H]2CN(CC#N)CCCO2)CCNC1=O 1149876389 ZDRWVPLCDPVFEL-DOMZBBRYSA-N 308.382 -0.367 30 20 DBED C=CCN(CC)[C@H](C)CNC(=O)c1c[nH]nc1S(N)(=O)=O 1155160863 QWDHXKDHBLKYDR-SECBINFHSA-N 315.399 -0.317 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)[C@H]1CC(=O)N(C)C1 1159270010 DSMFZGKSIFOBOM-RYUDHWBXSA-N 310.398 -0.749 30 20 DBED C[C@H](C#N)C(=O)NCCC1=CCN(Cc2nc(=O)n(C)[nH]2)CC1 1159587604 UVCAPVPMQYBSNZ-LLVKDONJSA-N 318.381 -0.094 30 20 DBED Cc1nn(CC(=O)NCCC2=CCN(CC#N)CC2)c(=O)n1C 1161805624 LVEZQWUGXNEWHZ-UHFFFAOYSA-N 318.381 -0.448 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)[C@H]2CCC(=O)N2C)C1=O 1164480518 AWPGSOJULGKMJK-QWHCGFSZSA-N 322.409 -0.510 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)c1cccc(=O)n1C 1166354761 HMWJYHWNDMOHSX-LBPRGKRZSA-N 318.377 -0.767 30 20 DBED C[C@H](CC(=O)NCCCNCC(=O)NCC#N)N1CCCC1=O 1171012123 VSVSGIPTAXXLSB-GFCCVEGCSA-N 323.397 -0.877 30 20 DBED C=CCN1CCO[C@@H]2CCN(C(=O)CCS(C)(=O)=O)C[C@H]21 1177042605 QRNKGDRKCDCSPI-CHWSQXEVSA-N 316.423 -0.091 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)C(=O)NCC(F)F)C[C@@H]21 1177042701 RCWVUXHMSJZKGA-WDEREUQCSA-N 315.320 -0.697 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2c(C)ncn2C)C1 1183450734 XWRIUPLCIBTMPE-QWHCGFSZSA-N 317.393 -0.329 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)[C@@]2(COC)CCOC2)C1 1184637907 NKXJDRVAPKOUOC-GDBMZVCRSA-N 310.394 -0.120 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)CCOCC#C)[C@@H]2C1 1187874497 VJNNYEHYYOACDX-LSDHHAIUSA-N 317.389 -0.692 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2cccn2C)C1 1188898131 RLCFMDGAGIEJAL-CYBMUJFWSA-N 302.378 -0.079 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 1189564742 GGUVHBPDEIFIMY-ZDUSSCGKSA-N 313.361 -0.218 30 20 DBED C=CCN1CC[C@H](N2C[C@@H](O)[C@H](NC(=O)CC(C)C)C2)C1=O 1190795192 OMSAHKNLWLIGJW-HZSPNIEDSA-N 309.410 -0.019 30 20 DBED C#CCCN(C)[C@@H]1CCN(C(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 1191490734 MWHKVNQBOCXPLO-OCCSQVGLSA-N 315.377 -0.079 30 20 DBED C=CCNC(=O)[C@@H](C)N(C)[C@H]1CCN(C(=O)c2nnn(C)n2)C1 1191792026 YCXABNRVPGHAAK-MNOVXSKESA-N 321.385 -0.953 30 20 DBED COc1cc(CN2C[C@@H](O)[C@H](NC(=O)[C@@H](C)C#N)C2)sn1 1191853216 CNNULPLREJEATL-JMJZKYOTSA-N 310.379 -0.027 30 20 DBED CC(C)COC[C@H](O)CN1C[C@@H](O)[C@H](NC(=O)C#CC2CC2)C1 1192827102 PKHGICJUEOJPQT-BZUAXINKSA-N 324.421 -0.405 30 20 DBED N#CCNC(=O)CN1CCCN(C(=O)CCc2cnc[nH]2)CC1 1196086276 XOVLUQZNMCJOPC-UHFFFAOYSA-N 318.381 -0.484 30 20 DBED C=C[C@H](C(=O)N[C@@H]1CN(CC(=O)NC)C[C@H]1O)c1ccccc1 1198950235 MPRRUVGSUYUDLQ-RRFJBIMHSA-N 317.389 -0.137 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)[C@H](C)N2CCOCC2)CCCO1 1202243505 MBGOHOJEIBZGFH-JKSUJKDBSA-N 323.437 -0.063 30 20 DBED C#CCCN[C@H]1C[C@@H](NC(=O)CN2CCOCC2=O)C12CCC2 1203030475 ZBYMHMOLZBEOIW-UONOGXRCSA-N 319.405 -0.115 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)CCn2cccn2)C1 1207342107 BWQKDBJMOSOTEM-AWEZNQCLSA-N 317.393 -0.397 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@@H](C)n2cccn2)C1 1207422659 ZZEPXJPBKLUGSR-ZIAGYGMSSA-N 317.393 -0.226 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)c2nnn(C)c2C)C1 1207731126 GKZFTECBJBFYGT-LBPRGKRZSA-N 320.397 -0.380 30 20 DBED CC(C)[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1CN(CC#N)C[C@H]1C 1209247830 WLJSQJWMDBUVJU-UTUOFQBUSA-N 316.427 -0.480 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)C2(C3CC3)CC2)[C@H](OC)C1 1212442874 ZBYKYXVFUOGSNS-ZIAGYGMSSA-N 319.405 -0.259 30 20 DBED C[C@@H]1CN(C(=O)c2cnsn2)C[C@H]1NCC(=O)NCC#N 1214219787 XNEFDCWSYOUCKZ-PSASIEDQSA-N 308.367 -0.772 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@@H](NCc2cnnn2C)[C@H](C)C1 1214601727 ALDIDYYVVIXPNC-YRGRVCCFSA-N 305.382 -0.210 30 20 DBED CC(C)C#CC(=O)N1CCO[C@@H]2CN(Cc3ncnn3C)C[C@@H]21 1217844237 SPZYFYIMXFTALX-UONOGXRCSA-N 317.393 -0.114 30 20 DBED N#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C[C@H]2C=CCC2)C1 1219155407 FMEFMJVYYXDVOD-XQQFMLRXSA-N 306.366 -0.856 30 20 DBED Cc1noc(CN2C[C@H](O)[C@H](NC(=O)CSCC#N)C2)n1 1219219599 DTCKPNVBGFQYQH-ZJUUUORDSA-N 311.367 -0.704 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)CC(F)(F)F)C1 1219308401 QFSPQWKUXVSJND-BDAKNGLRSA-N 309.288 -0.598 30 20 DBED CC(C)COC[C@@H](O)CN1C[C@H](O)[C@H](NC(=O)C#CC2CC2)C1 1219594530 PKHGICJUEOJPQT-XHSDSOJGSA-N 324.421 -0.405 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2cc(C)n(C)n2)C[C@@H]1O 1221143650 LMHFNRFNHVHFDY-CFVMTHIKSA-N 322.409 -0.019 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)[C@@]3(C)CCOC3)[C@@H]2C1 1221892424 SXTQSFHJLUOMIJ-CPUCHLNUSA-N 319.405 -0.305 30 20 DBED C[C@H](C#N)C(=O)NCC1CCN(CC(=O)N2CCOCC2)CC1 1222641460 NNDFWVZBRPLHBS-CYBMUJFWSA-N 322.409 -0.167 30 20 DBED C#CCN1CC[C@@H]2CCN(C(=O)CCCS(N)(=O)=O)C[C@@H]21 1223401979 UPKKWHIMOBZJDZ-OLZOCXBDSA-N 313.423 -0.389 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)[C@@H]2C[C@@H](C)CO2)CC1 1223854292 GFXXKKOLKOCCTR-HIFRSBDPSA-N 321.421 -0.011 30 20 DBED C=CCNC(=O)[C@H](C)N1CCC(CNC(=O)c2nc[nH]n2)CC1 1224895075 ROGCMYQYCWTVRP-NSHDSACASA-N 320.397 -0.063 30 20 DBED N#CCN1CCC(NC(=O)CNC(=O)c2cscn2)CC1 1229925447 AWIKSGQWOBHZAC-UHFFFAOYSA-N 307.379 -0.023 30 20 DBED Cc1[nH]nc(C(=O)N(C)C[C@@H]2CCN2CC(=O)NCC#N)c1C 1231341822 JNXSFJHLNXYSCK-LBPRGKRZSA-N 318.381 -0.187 30 20 DBED CC#CCN1CC[C@H]1CN(C)C(=O)[C@H](C)NS(=O)(=O)CC 1234446032 MQJSNOMHJJMHJG-STQMWFEESA-N 315.439 -0.130 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1261859127 MANIZGKSVMDDFC-OAHLLOKOSA-N 312.373 -0.330 30 20 DBED CNC(=O)[C@H](C#N)C(=O)CSc1nnnn1CC(F)(F)F 1263289339 BMGAUIWYNLFHKI-RXMQYKEDSA-N 322.272 -0.218 30 20 DBED CN(CCNS(C)(=O)=O)CC(=O)N[C@@](C)(C#N)C1CC1 1318495437 RFBAHENBKJLACE-LBPRGKRZSA-N 302.400 -0.724 30 20 DBED C[C@@H](O)[C@H]1CCCN(C(=O)C(=O)Nc2cnn(CC#N)c2)C1 1319461166 BWXBEKFXOSFJJM-MNOVXSKESA-N 305.338 -0.035 30 20 DBED COC(=O)c1cnc(C(=O)NC2(C#N)CCN(C)CC2)cn1 1320041482 MOOQBAZIUZFJGC-UHFFFAOYSA-N 303.322 -0.019 30 20 DBED C=C[C@@H](COC)NS(=O)(=O)N1CCN(C(=O)OCC)CC1 1320583612 JDNRXQCSQYBEFJ-NSHDSACASA-N 321.399 -0.204 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)CCNC(=O)COC 1321659771 DTVLPJOSLZYQOA-VIFPVBQESA-N 315.326 -0.917 30 20 DBED C#CCOCCNC(=O)C(=O)NCc1ccc([S@@](C)=O)cc1 1323261865 WNURFEWYFAJVNU-JOCHJYFZSA-N 322.386 -0.194 30 20 DBED C[C@H](CO[C@@H]1CCOC1)NC(=O)C(=O)N1CC[C@](F)(C#N)C1 1323633213 PRVGUTAZUOPMEV-GYSYKLTISA-N 313.329 -0.239 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N[C@@H](CO)c1cnn(C)c1 1323682355 VQQABPCMKGENQC-NSHDSACASA-N 316.383 -0.647 30 20 DBED CC#CCCNC(=O)C(=O)NC1CCN(S(C)(=O)=O)CC1 1325612281 KDYZTCREKASXJD-UHFFFAOYSA-N 315.395 -0.944 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CC[C@H](C)[C@H]2CO)nn1 1325945673 AGLQIUSVSKIXLZ-CMPLNLGQSA-N 307.354 -0.690 30 20 DBED C=CCOCCNC(=O)C(=O)N1C[C@@](C)(CO)[C@@](C)(CO)C1 1328871186 ZUGYLKXDQUUUJF-GASCZTMLSA-N 314.382 -0.855 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)N(CCO)C2CCC2)CCN1C1CC1 1329831076 IIVNYZNYLCTWBK-AWEZNQCLSA-N 320.393 -0.441 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)NC1CN(C(=O)OC)C1 1332697660 UBVJZDCLCINKJV-JTQLQIEISA-N 311.338 -0.902 30 20 DBED COc1ccc(CN(C)C(=O)C(=O)N2CCO[C@H](C#N)C2)cn1 1333382299 QHTFMQRKDQBABJ-GFCCVEGCSA-N 318.333 -0.200 30 20 DBED CC1(C)CN(C(=O)C(=O)N2CCC[C@@H](C#N)C2)C[C@H](CO)O1 1335045377 IQQIOCBDYXKBPR-NWDGAFQWSA-N 309.366 -0.253 30 20 DBED N#CCNC(=O)[C@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1F 1335771897 IKYVKXTVKNHARJ-DGCLKSJQSA-N 305.309 -0.030 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)NCc2ccc3c(c2)OCO3)CCO1 1340149275 WADYXFDQOHNZQI-NSHDSACASA-N 317.301 -0.218 30 20 DBED N#Cc1ccc(NC(=O)C(=O)N2CC(CC(N)=O)C2)cc1F 1343518860 UKVISMHLXXQZSS-UHFFFAOYSA-N 304.281 -0.030 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)C(=O)N[C@H]2CCCc3c[nH]nc32)C1 1345867809 JHIAKULNXKACJT-XHDPSFHLSA-N 317.349 -0.220 30 20 DBED C[C@@H]1[C@@H](C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)C1(F)F 1347040225 WNLKDZBDHQNDST-HLTSFMKQSA-N 320.317 -0.147 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CC[C@H](N)[C@@H](CC)C2)nn1 1348950027 AMCYGTQNYHHTLV-AAEUAGOBSA-N 320.397 -0.334 30 20 DBED N#Cc1ccc(CNC(=O)N2CC[C@H]3OCC(=O)N[C@@H]3C2)nc1 1364283601 UQQAIORALIDKEA-CHWSQXEVSA-N 315.333 -0.248 30 20 DBED Cn1c(=O)[nH]c(N2CCC[C@H](c3nc[nH]n3)C2)c(C#N)c1=O 1364586420 GIGZGTNLTAGDEV-QMMMGPOBSA-N 301.310 -0.553 30 20 DBED COC(=O)[C@@](C)(CO)NS(=O)(=O)c1ccc(C#N)c(F)c1 1364884009 LHQJUQMWWNFLBJ-GFCCVEGCSA-N 316.310 -0.100 30 20 DBED Cn1cc(C[C@H](CO)NS(=O)(=O)c2cccnc2C#N)cn1 1364888030 NSYJLJHBFYHYKJ-LLVKDONJSA-N 321.362 -0.431 30 20 DBED C[C@H](C#N)C(=O)NCCN1CCN(Cc2cnnn2C)CC1 1365959406 TVKNQOJCGITPDE-GFCCVEGCSA-N 305.386 -0.791 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CCCN(C(=O)CCNC(N)=O)C1 1373214183 JYQQRINYOJLFDC-MNOVXSKESA-N 309.370 -0.346 30 20 DBED C[C@@H](CNCc1ccc(F)c(C#N)c1)NC(=O)Cn1ncnn1 1374890675 ULDFZDNUPYEAAK-JTQLQIEISA-N 317.328 -0.022 30 20 DBED C[C@@H](CN(C)C(=O)c1cc(C#N)c[nH]1)NC(=O)[C@H](C)CC(N)=O 1381938621 JXOVTUXAONNPEN-ZJUUUORDSA-N 319.365 -0.025 30 20 DBED C[C@@H](CN(C)C(=O)Cn1cnnn1)NC(=O)c1ccc(C#N)[nH]1 1383647038 FWSWKDSFTUHVSA-VIFPVBQESA-N 316.325 -0.850 30 20 DBED C[C@@H](C#N)C(=O)NC1CN(C(=O)Cc2nc(C3CC3)nn2C)C1 1389407322 QTDVDBHETZVPGW-VIFPVBQESA-N 316.365 -0.278 30 20 DBED C=C(Cl)CNC[C@H](O)CNC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1392396367 MQYSYARQUGWODE-ZDEQEGDKSA-N 318.801 -0.143 30 20 DBED C[C@@H](CNC(=O)c1cn(C)nn1)N(C)C(=O)c1cc(C#N)c[nH]1 1404348968 SKMGAIFPSAQVRS-VIFPVBQESA-N 315.337 -0.095 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C)C(=O)c1nc2ncccn2n1 1408674125 QOJJGBWSRQOOAH-VIFPVBQESA-N 301.310 -0.528 30 20 DBED CCN1CCCN(C(=O)Cn2cc(C#N)c(O)nc2=O)CC1 1411775060 ZBYKBIKFVWFONU-UHFFFAOYSA-N 305.338 -0.625 30 20 DBED CN(C[C@H](O)CNCc1nccn1C)C(=O)c1cc(C#N)c[nH]1 1423428238 BXJPYKJFEQACPU-GFCCVEGCSA-N 316.365 -0.157 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](NC(=O)COCc2ccnn2C)C1 1429551033 RFAWTJPXNVCKJK-NWDGAFQWSA-N 319.365 -0.187 30 20 DBED N#Cc1ccc(C(=O)NC[C@H](O)CNC(=O)c2ccccn2)[nH]1 1452230332 KZUBQUUPSCUTIQ-LLVKDONJSA-N 313.317 -0.198 30 20 DBED CN(C)C(=O)[C@H]1CCN(C(=O)NCCn2cnc(C#N)n2)C1 1478604070 SXWSWQNOCZHIEP-JTQLQIEISA-N 305.342 -0.731 30 20 DBED N#CCNC(=O)CN1CCC[C@@H](NC(=O)c2cc[n+]([O-])cc2)C1 1479897606 ZXSWTBYQGRSEOR-CYBMUJFWSA-N 317.349 -0.846 30 20 DBED C[C@@H](CN(C)C(=O)c1nc2ncccn2n1)NC(=O)[C@H](C)C#N 1487877793 UVWCMVLCYSVBCP-ZJUUUORDSA-N 315.337 -0.139 30 20 DBED C[C@@H](CCNC(=O)[C@H]1CC[C@@H](C(N)=O)C1)NCC(=O)NCC#N 1492085159 LOVOXQJRXCYMSK-TUAOUCFPSA-N 323.397 -0.988 30 20 DBED CCCN(CCNC(=O)[C@@H](C)C#N)C(=O)[C@@H]1CC(=O)N(C)C1 1529651165 OBOYIZKUTXWRHE-NWDGAFQWSA-N 308.382 -0.021 30 20 DBED C#CCN(CC(=O)O)C(=O)[C@H](NC(=O)C1CCCC1)[C@@H](C)O 1588397596 MZEZDIJRIAZLAN-ZWNOBZJWSA-N 310.350 -0.411 30 20 DBED C=CCN(CC=C)c1c(-c2nn[nH]n2)c(=O)n(C)c(=O)n1C 1588632324 VAYRAJDDOBMZMJ-UHFFFAOYSA-N 303.326 -0.558 30 20 DBED C=C[C@@H](NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)C(=O)O 1588700447 IEOUKTYDAGOXFW-CYBMUJFWSA-N 317.345 -0.013 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)NC2CCC(C(=O)O)CC2)CCO1 1594606242 SSFFCJCUVAGXOO-VQXHTEKXSA-N 317.367 -0.311 30 20 DBED CN(C)CC#CCNC(=O)N1CC[C@@H](n2cc(C(=O)O)nn2)C1 1598197101 UPJOTJAJRKOQAS-LLVKDONJSA-N 320.353 -0.502 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1602762844 KTNBSTMMHVRQTL-VXGBXAGGSA-N 317.353 -0.454 30 20 DBED COC(=O)c1cc(-c2nn[nH]n2)c(=O)n(C[C@H](O)CC#N)c1 1604964517 SOUYBGRJXHIRJW-MRVPVSSYSA-N 304.266 -0.910 30 20 DBED N#CC1(CNC(=O)N2CC(N3CC[C@@H](O)C3)C2)CCOCC1 1646959611 SFFBXOMVYWLYIV-CYBMUJFWSA-N 308.382 -0.233 30 20 DBED N#Cc1ncn(CCNC(=O)NC[C@H](O)COCC2CC2)n1 1647194429 OJQIKCSHXVJSQL-NSHDSACASA-N 308.342 -0.764 30 20 DBED CS(=O)(=O)N1CCC(NC(=O)N2CCO[C@H](C#N)C2)CC1 1649709873 HWRIWDMPWUUHQP-LLVKDONJSA-N 316.383 -0.656 30 20 DBED C#CCNC(=O)CN[C@@H](C)CCNC(=O)Cc1[nH]cnc1C 1663005677 XTNSJFZNGJBUBE-NSHDSACASA-N 305.382 -0.506 30 20 DBED C=CCNC(=O)CN[C@H](C)CCNC(=O)c1cc[n+]([O-])cc1 1753002098 WGCCPSFNWNVTKX-GFCCVEGCSA-N 306.366 -0.280 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)CCNC(=O)c1[nH]cnc1CC 1753073334 SEBVHUQKUXBOBD-LLVKDONJSA-N 305.382 -0.228 30 20 DBED CCN(CCNC(=O)[C@@H](C)c1cnn(C)c1)CC(=O)NCC#N 1753096223 SLWRKDUOOKAAGJ-LBPRGKRZSA-N 320.397 -0.399 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@H]1CCCN1Cc1nc(O)n[nH]1 1753106574 YOGNIECNRWLKMW-QMTHXVAHSA-N 309.370 -0.082 30 20 DBED C=C(Cl)CNCCN(C)C(=O)Cn1ccc(=O)n(C)c1=O 1753193936 DAXSHWMLSJVIEL-UHFFFAOYSA-N 314.773 -0.653 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1CN([C@H](C)c2nnnn2C)C1 1753400679 GECDQJPENUHDHT-YGRLFVJLSA-N 308.386 -0.354 30 20 DBED C#CCNC(=O)CNC[C@H]1CCCN1C(=O)c1ccc(C)nn1 1753600721 XLNDBENGKFVHAM-CYBMUJFWSA-N 315.377 -0.271 30 20 DBED C#CCNC(=O)[C@H](C)NCCN(CC)C(=O)[C@H]1CCN(C)C1=O 1754063036 YYKYBOTZOHNCIL-STQMWFEESA-N 322.409 -0.959 30 20 DBED C#CCNC(=O)CNC/C=C/CNC(=O)c1cncc(C#C)c1 1754169614 LESNINRZAFYCOA-AATRIKPKSA-N 310.357 -0.312 30 20 DBED C=CCCn1cc(C(=O)N[C@@H](C)CNCc2nc(O)n[nH]2)nn1 1754287024 KGQLXOLLRBAFJK-VIFPVBQESA-N 320.357 -0.414 30 20 DBED C=CCNC(=O)[C@H](C)N1CC[C@](C)(NC(=O)CNC(C)=O)C1 1754664063 CWGUNVOSBLILTJ-NHYWBVRUSA-N 310.398 -0.606 30 20 DBED COCC#CCN1CC[C@](O)(CNC(=O)c2snnc2C)C1 1754747083 FOUZABIXLSPLQM-AWEZNQCLSA-N 324.406 -0.337 30 20 DBED CC(C)C[C@]1(C(=O)NC[C@]2(O)CCN(CC#N)C2)CCNC1=O 1754754883 RGVAAVYSNSLFJI-HZPDHXFCSA-N 322.409 -0.385 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)CCc3ccnn3C)CO2)C1 1755061033 DOIXIKFQERDHAS-CYBMUJFWSA-N 302.378 -0.055 30 20 DBED C#CCNC1(C)CCN(C(=O)CN2CCCS2(=O)=O)CC1 1755129433 MNNQLUXZFLNKCB-UHFFFAOYSA-N 313.423 -0.374 30 20 DBED C[C@H](CN1CCOCC1)C(=O)NC1(CCO)CN(CC#N)C1 1755338461 WNVJXKDQOPRUBM-CYBMUJFWSA-N 310.398 -0.969 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@@H](C)N(C(=O)CCOCC#C)C1 1755679120 SDUWBTBYQNABOH-KGLIPLIRSA-N 305.378 -0.645 30 20 DBED CCOCC(=O)N[C@@]12CCC[C@H]1N(CC(=O)NCC#N)CC2 1755696040 WKXKTJVJGIACDG-IUODEOHRSA-N 308.382 -0.224 30 20 DBED C=CCCC(=O)NC1(CCO)CN(C(=O)[C@@H]2CC[C@H]2C(N)=O)C1 1756078448 RDINRRLGVOFKMA-VXGBXAGGSA-N 323.393 -0.456 30 20 DBED C#CCOCCC(=O)N(C)C[C@@H](C)NC(=O)c1cnc(O)n1C 1756453220 KKEYQVMVUNHEQJ-LLVKDONJSA-N 322.365 -0.258 30 20 DBED C#CCOc1ncccc1C(=O)N[C@H](CO)CNC(=O)C1CC1 1756501561 VCCSVZSLDXOEOX-LBPRGKRZSA-N 317.345 -0.290 30 20 DBED CC#CCCCC(=O)N(C)C[C@H](O)CNC(=O)c1cn(C)nn1 1756674802 SIZUVTMODDIOKV-GFCCVEGCSA-N 321.381 -0.442 30 20 DBED Cc1nonc1CC(=O)N(C)C[C@H](O)CNC(=O)C#CC(C)C 1756676432 QKJSUKZQDIGTSS-GFCCVEGCSA-N 322.365 -0.485 30 20 DBED CCN(C(=O)Cn1nccn1)[C@H](C)CNC(=O)CSCC#N 1756847185 LKQRMQBATIADJV-LLVKDONJSA-N 324.410 -0.112 30 20 DBED CC(C)C#CC(=O)N[C@H]1C[C@@H](CNC(=O)C2(NC(N)=O)CC2)C1 1757316195 DYJIOHLRTSWUFX-TXEJJXNPSA-N 320.393 -0.142 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](N)CN 1796778437 DJNDDHHZBKGZEP-RGDJUOJXSA-N 324.425 -0.498 30 20 DBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](CC)NC)CCO2 1835918004 OBWZEJGQNOMEJM-CJNGLKHVSA-N 323.393 -0.926 30 20 DBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)CCCNC)C2)C1 1839807218 WXHDQHCKKJRRDF-MRXNPFEDSA-N 323.393 -0.924 30 20 DBED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)[C@@H]1CCCCO1)C2 1846194525 MTFUQJAJRXIDSY-LBPRGKRZSA-N 320.345 -0.153 30 20 DBED C#CCCC(=O)N1CCCC12CN(C(=O)CS(C)(=O)=O)C2 1846995971 ZJZPOMMNYNKLFV-UHFFFAOYSA-N 312.391 -0.352 30 20 DBED C=CCN(C(=O)[C@@H]1CC(=O)N(C)C1)[C@H]1CCS(=O)(=O)C1 98100941 UGOPCJJMDSIJPT-MNOVXSKESA-N 300.380 -0.334 30 20 DBED NC(=O)CO/N=C(/N)CCN1CCN(Cc2ccccc2)CC1 108351953 NXDZSLDWHPLXGH-UHFFFAOYSA-N 319.409 -0.032 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)c2cccc(=O)n2C)CC1 156463318 SZJKSMRNRPOPBD-UHFFFAOYSA-N 318.377 -0.555 30 20 DBED CNC(=O)C1CN(C(=O)C(=O)Nc2ccc(F)cc2C#N)C1 184907409 PGBYYUHLEYNTJG-UHFFFAOYSA-N 304.281 -0.160 30 20 DBED C/N=C(/NCCN1C(=O)CNC1=O)N1CCSC(C)(C)C1 261976422 QVEOPCDEYAMVHY-UHFFFAOYSA-N 313.427 -0.059 30 20 DBED COC[C@H](C)N/C(N)=N/Cc1cccc(S(N)(=O)=O)c1 264110458 QQBNXWOTUKQEQK-VIFPVBQESA-N 300.384 -0.227 30 20 DBED CCN(CC#N)C(=O)[C@H](C)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 266706340 ZDXLJBSODNCTNS-KNZXXDILSA-N 305.334 -0.091 30 20 DBED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)C(=O)OC)c1 268407900 BJVWAWOZFWMBFX-SNVBAGLBSA-N 324.358 -0.111 30 20 DBED N#Cc1cc(F)ccc1S(=O)(=O)N(CCO)CC(=O)O 275395267 YLKPETHAHVOUJP-UHFFFAOYSA-N 302.283 -0.235 30 20 DBED N#CCN1CCN(C(=O)CNc2ccccc2C(N)=O)CC1 277652737 KZNBNMBQCDPHEM-UHFFFAOYSA-N 301.350 -0.135 30 20 DBED COCCN/C(N)=N/Cc1ccc(S(N)(=O)=O)c(C)c1 277957989 KJDRRBJNSCXPPU-UHFFFAOYSA-N 300.384 -0.307 30 20 DBED C=CCN1CC[C@H](N(C)CC(=O)N(C)CC(=O)NCCC)C1=O 281360928 NVCCBPVNZCHDID-ZDUSSCGKSA-N 324.425 -0.310 30 20 DBED C=CCN1CCC(NC(=O)C(=O)N2CC[C@@H](C)[C@H]2CO)CC1 286692404 PLRLFKMVUBFIIJ-TZMCWYRMSA-N 309.410 -0.018 30 20 DBED Cn1ccnc1[C@H]1CCN(/C(O)=N/CC(=O)N2CCOCC2)C1 329236221 OCWJCZVMGOZJOA-LBPRGKRZSA-N 321.381 -0.018 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)NCc1ccc(C(N)=O)nc1 336879535 ADNIRIWMNIVJNW-SECBINFHSA-N 311.367 -0.394 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)NCc2cccc(C(N)=O)c2)CCO1 336916028 MESSSDMDFDPIHB-GFCCVEGCSA-N 324.362 -0.656 30 20 DBED COCCN(CCC#N)S(=O)(=O)NCCN1CC=CCC1 337148041 GTPICTVGTIDUPK-UHFFFAOYSA-N 316.427 -0.055 30 20 DBED C[C@H]1C(=O)N(C)CCN1CC#CCN1CCN(C)C(=O)[C@H]1C 342136230 UHLCVVSFXPOLPI-OKILXGFUSA-N 306.410 -0.685 30 20 DBED CS(=O)(=O)c1nccn1Cc1cc(O)n2ncc(C#N)c2n1 344152820 DOCHNSWWTCDGPI-UHFFFAOYSA-N 318.318 -0.045 30 20 DBED COC[C@](C)(C#N)NC(=O)CNS(=O)(=O)CCOC(C)C 433975598 UXRYIBHMPRTSBB-LBPRGKRZSA-N 321.399 -0.624 30 20 DBED Cc1nn(C)c(N2CCN(C(=O)[C@H](C)NC(N)=O)CC2)c1C#N 471671212 LUMILGFEHNYNCC-JTQLQIEISA-N 319.369 -0.694 30 20 DBED C#CCN1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 490821238 RRQLYXCGOUXPTN-UHFFFAOYSA-N 304.306 -0.466 30 20 DBED C#CCNC(=O)CCN1CCCN(CCC(=O)NCC#C)CC1 491508250 ZGJFQHPZMQYHOJ-UHFFFAOYSA-N 318.421 -0.727 30 20 DBED C#CCN1CCC(C(=O)N2CCN(C)C[C@@H](C(=O)OC)C2)CC1 491811398 CUBYJHDIZOPERA-OAHLLOKOSA-N 321.421 -0.105 30 20 DBED CC#CCCNC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 541746225 GZBNIRDDEXMARP-RYUDHWBXSA-N 312.391 -0.448 30 20 DBED C[C@H]1CN(C(=O)NCC2(C#N)CC2)CCN1S(C)(=O)=O 570578821 WHFLBWZJGKTMCR-JTQLQIEISA-N 300.384 -0.035 30 20 DBED COc1cc(NC(=O)C(=O)NCCNC(C)=O)c(F)cc1C#N 599936512 WYWKVZBZSPBXAI-UHFFFAOYSA-N 322.296 -0.103 30 20 DBED CCN(C1CCN(C)CC1)S(=O)(=O)N1CCO[C@H](C#N)C1 601428005 JKAVGKREIDSEEI-CYBMUJFWSA-N 316.427 -0.128 30 20 DBED COc1cc(C#N)ccc1OCCCC(=O)NC[C@H](O)C(N)=O 618923385 IAMKNPWPXLAENQ-NSHDSACASA-N 321.333 -0.312 30 20 DBED C=CCN(C)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 681645749 DIQSHOWBHLLYTC-UHFFFAOYSA-N 304.416 -0.609 30 20 DBED C=CCN1CC[C@H](N2CCC[C@H](NS(C)(=O)=O)C2)C1=O 685000020 CAXOYYAAPWJJIX-RYUDHWBXSA-N 301.412 -0.213 30 20 DBED C=CCOCC(=O)OCC(=O)N1CCN(C(=O)C2CC2)CC1 729759339 WBILGZIHFUADBX-UHFFFAOYSA-N 310.350 -0.187 30 20 DBED Cc1nc(Cl)cc(NN=Cc2c(N)n(C)c(=O)n(C)c2=O)n1 749814022 HOQPLHMPKOXLEF-UHFFFAOYSA-N 323.744 -0.136 30 20 DBED N#C[C@@H]1COCCN1C(=O)c1ccc(F)c(S(N)(=O)=O)c1 756954879 ZRBRUFHCGIEQBT-SECBINFHSA-N 313.310 -0.162 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)c1ccc2nnc(O)n2c1 767732785 QRACYAVWOMXJHN-UHFFFAOYSA-N 319.277 -0.397 30 20 DBED C#CCOc1ccc(NC(=O)C(=O)N2C[C@H](O)[C@H](O)C2)cc1 784913071 ZIIOKZHGBLJOOT-BETUJISGSA-N 304.302 -0.799 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)N(C)C2CCOCC2)CC1 800910398 QGRGNBWBSZZLHH-UHFFFAOYSA-N 322.409 -0.416 30 20 DBED CC[C@@](C)(C#N)C(=O)OCC(=O)c1c(N)n(C)c(=O)n(C)c1=O 803787268 BWOOGBYPBATKQC-AWEZNQCLSA-N 322.321 -0.668 30 20 DBED C#CCCCNC(=O)C(=O)N1CCN(CC(=O)NC(C)C)CC1 806912624 PBIFGEKNYCOIPI-UHFFFAOYSA-N 322.409 -0.815 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CC[C@@](C)(C(=O)OC)C1)[C@@H]1CCCO1 809311002 FNJWJAHBOWNBKY-MQIPJXDCSA-N 322.361 -0.305 30 20 DBED C=C[C@H](O)C(=O)O[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)C(C)C 814546440 CJNDHIQBZKNMRB-GRYCIOLGSA-N 312.366 -0.175 30 20 DBED N#C[C@@H]1CNC[C@@H]1NC(=O)[C@H]1CC[C@@H](C(F)(F)F)NC1=O 843458867 ARJAIBVNHOXRJY-HXFLIBJXSA-N 304.272 -0.329 30 20 DBED C#CC[C@H](CCOC)NC(=O)NCCN1CCCS1(=O)=O 858164709 DTDQKTMOMICUGI-GFCCVEGCSA-N 317.411 -0.251 30 20 DBED CCn1cncc1/C=C/C(=O)c1c(O)n(C)c(=O)n(C)c1=O 901510341 BUBVLPFWMYWXLY-AATRIKPKSA-N 304.306 -0.098 30 20 DBED C#CC[C@H](CO)NC(=O)NCC1CCN(S(C)(=O)=O)CC1 915588134 MXHDTMBNJGSPBN-GFCCVEGCSA-N 317.411 -0.659 30 20 DBED C#CCNC(=O)COC(=O)[C@H]1CSCN1C(=O)OCC 924503525 AZGLGEYPDQRCSW-SECBINFHSA-N 300.336 -0.190 30 20 DBED O=C1C[C@@H](C(=O)N[C@H]2CCN(C(=O)C#CC3CC3)C2)CCN1 937822213 NIYPVAUVAZKCCE-STQMWFEESA-N 303.362 -0.357 30 20 DBED NC(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)C#CC2CC2)C1 941319590 ASVSAFKOAARHTN-OLZOCXBDSA-N 318.377 -0.340 30 20 DBED CN1C[C@@H](C(=O)NC[C@H]2CCCN2C(=O)C#CC2CC2)CC1=O 944009168 YBFDZKBHRRKIBG-UONOGXRCSA-N 317.389 -0.015 30 20 DBED CCn1ncc(C(=O)NC[C@H]2CN(C(=O)[C@@H](C)C#N)CCO2)n1 944577688 HGCIHSYKPHLASL-QWRGUYRKSA-N 320.353 -0.585 30 20 DBED CO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1NC(=O)Cc1nonc1C 946538274 UTRLAHPQYJGKQO-XXILOJSOSA-N 321.337 -0.578 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@H]2CNC(=O)c2cnnn2C)cn1 949699511 GNKCABSPMIRTAI-ZDUSSCGKSA-N 324.344 -0.164 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H](NC(=O)c2cn(C)c(=O)cn2)C1 951868851 XHMLCISQHGWXRZ-WDEREUQCSA-N 317.349 -0.339 30 20 DBED C#CCCN1C[C@@H](O)[C@H](CNC(=O)c2cnc(N(C)C)cn2)C1 958070199 YBIZAQZXZSNOTH-TZMCWYRMSA-N 317.393 -0.412 30 20 DBED C#CCCN1C[C@H](CNC(=O)c2cc(=O)c(OC)c[nH]2)[C@@H](O)C1 958264922 ZJFOHJWDUGKTPU-FZMZJTMJSA-N 319.361 -0.571 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2c(OC)ccnc2O)C1 958593763 BMDGVVXXQHJOAT-GHMZBOCLSA-N 305.334 -0.549 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cnsn2)C1 958660002 IHHYKLOYGSTDMA-HGNGGELXSA-N 309.351 -0.659 30 20 DBED CN(C(=O)[C@H]1CCCCO1)[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 958825216 XHXLZKDAFNTMDP-SOUVJXGZSA-N 320.389 -0.001 30 20 DBED CC#CCN1C[C@H]2C(NC(=O)[C@@H]3CCCS(=O)(=O)C3)[C@@H]2C1 961912585 SCZDVFWZJALWEE-JHJVBQTASA-N 310.419 -0.119 30 20 DBED C#CCCN1C[C@H]2C(NC(=O)c3cn([C@@H]4CCOC4)nn3)[C@@H]2C1 962232829 SNBVSWMUAHKGKQ-JHJVBQTASA-N 315.377 -0.077 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CN(C(=O)c3cocn3)C[C@@H]2O)c[nH]1 962388110 ONZYSXUIYOUFRD-PWSUYJOCSA-N 315.289 -0.510 30 20 DBED C[C@H](C#N)C(=O)N1CC2(C[C@@H](NC(=O)c3cnn(C)c3)CO2)C1 965620382 XAHMSYMESXAPOT-ZYHUDNBSSA-N 317.349 -0.321 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(C[C@H](NC(=O)CN3CCCC3)CO2)C1 965703261 VIFSIROPJQIRDB-STQMWFEESA-N 320.393 -0.272 30 20 DBED C#CCN1CCCCC[C@@H]1CNC(=O)c1nnc(O)nc1O 968936678 NORVQKCWDYOZTN-SNVBAGLBSA-N 305.338 -0.110 30 20 DBED CC#CCN1CCO[C@]2(CCN(C(=O)[C@H]3CN(C)C(=O)N3)C2)C1 972504565 OQYNTLCRABZROK-CZUORRHYSA-N 320.393 -0.663 30 20 DBED CN(C[C@@H]1CCN1C(=O)C#CC1CC1)C(=O)c1ncn(C)n1 977663887 NZEAHTZGHGKJKI-LBPRGKRZSA-N 301.350 -0.099 30 20 DBED CN(C)c1ccc(C(=O)NCC2[C@H]3CN(CC#N)C[C@H]23)nn1 978971441 IBERTOSEMLDGPM-VXGBXAGGSA-N 300.366 -0.026 30 20 DBED C#Cc1cncc(C(=O)NC2CCC(NC(=O)C(N)=O)CC2)c1 980534035 CVNQASDHBKAYOT-UHFFFAOYSA-N 314.345 -0.295 30 20 DBED C[C@@H](C#N)C(=O)N1CCCN(C[C@H](O)CN2CCCC2=O)CC1 980850465 UKZZRCNAABKPAK-KBPBESRZSA-N 322.409 -0.336 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](CN[C@H]2CCNC2=O)C1 984826455 UGCWDIJLSGHPDX-POQQGIQPSA-N 307.394 -0.050 30 20 DBED C#CCN1CCN(C(=O)N2CCN(C(=O)[C@@H](C)C#N)CC2)CC1 985824091 BUGACGKZASUOOB-AWEZNQCLSA-N 317.393 -0.339 30 20 DBED C[C@@H]1[C@@H](NC(=O)[C@H]2CNC(=O)N2)CCN1C(=O)C#CC1CC1 989572034 RCCMQHDIEPJCEE-ADEWGFFLSA-N 304.350 -0.813 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)[C@@H]2CCn3ccnc3C2)C1 994605421 XAYPOMYDBIRXST-WDEREUQCSA-N 301.350 -0.068 30 20 DBED Cn1nnc(CN[C@H]2CCCN(C(=O)c3ccc(C#N)[nH]3)C2)n1 998945689 AACLXFSIDNNOLK-NSHDSACASA-N 314.353 -0.196 30 20 DBED CN(C)[C@H](Cn1cccn1)C(=O)N1CCC[C@H](NCC#N)C1 999352062 ICLYDLHNTUDLGS-UONOGXRCSA-N 304.398 -0.083 30 20 DBED CCn1nnc(C)c1C(=O)NCC1CN(C(=O)[C@@H](C)C#N)C1 1002380982 YROYCQSTVYMPIM-VIFPVBQESA-N 304.354 -0.046 30 20 DBED C=CCN1CCC[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 1008893431 SMPAGIICMJQEEL-NSHDSACASA-N 316.365 -0.162 30 20 DBED C=C(Cl)CN1CCC[C@H](NC(=O)CN2C(=O)CNC2=O)C1 1009464124 XCMOFWOWKRNTCV-JTQLQIEISA-N 314.773 -0.129 30 20 DBED CN1CC[C@H](C(=O)NC2[C@H]3CN(C(=O)C#CC4CC4)C[C@H]23)C1 1013117670 LEFFYBKWPIQJBP-IHRRRGAJSA-N 301.390 -0.076 30 20 DBED C=C(C)C(C)(C)C(=O)N1C[C@@H]2C(NC(=O)Cn3ncnn3)[C@H]2C1 1013153760 QLBQKRPIATVRAN-QWRGUYRKSA-N 318.381 -0.152 30 20 DBED C#Cc1cncc(C(=O)N[C@H]2CCN(CCS(C)(=O)=O)C2)c1 1015679255 XCVPVFYUCBXYDI-AWEZNQCLSA-N 321.402 -0.088 30 20 DBED C=C(Cl)CN1CC[C@@H](NC(=O)[C@@H]2CCN(C)S2(=O)=O)C1 1015825519 LKTUMBKVTLINMO-MNOVXSKESA-N 321.830 -0.037 30 20 DBED Cc1cc(C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2O)n(C)n1 1023144111 GEERHVZGSKDNTH-TZMCWYRMSA-N 316.361 -0.557 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ncccc2F)C1 1025295850 RHIODYVVFLEHDP-FBIMIBRVSA-N 306.297 -0.318 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)c3ncccc3O)C2)C1=O 1030242399 RQDKRDUDIZUUTJ-LBPRGKRZSA-N 316.361 -0.012 30 20 DBED CNC(=O)[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C#N)c[nH]1 1032339306 LHVWUBWAOXSSIS-USWWRNFRSA-N 301.350 -0.080 30 20 DBED C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(=O)n2[nH]cnc2n1 1032731065 YLLVDKGREPFFAL-QWRGUYRKSA-N 314.349 -0.108 30 20 DBED Cc1nnc2ccc(C(=O)NC[C@@H]3CN(CC#N)CCO3)cn12 1035417485 ADNRXLGNBGDXCB-CYBMUJFWSA-N 314.349 -0.008 30 20 DBED CC#CCN1CCO[C@H](CNC(=O)c2cccc(C(N)=O)n2)C1 1035624006 GNRCXSSNNOMAKQ-GFCCVEGCSA-N 316.361 -0.366 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@H]3[C@H](CCN3CC(N)=O)C2)[nH]1 1036691189 LVLRKHZOMTYAJG-MFKMUULPSA-N 301.350 -0.092 30 20 DBED CC#CCN1CC[C@@H]2CN(C(=O)Cn3c(O)nnc3O)CC[C@@H]21 1036880023 XVZKBJNTCMHDNK-NEPJUHHUSA-N 319.365 -0.365 30 20 DBED N#Cc1ccc(C(=O)NC[C@@H]2CCN2[C@H]2CCCNC2=O)[nH]1 1038172255 GHIKHKOIIDVKTG-AAEUAGOBSA-N 301.350 -0.031 30 20 DBED O=C(C#CC1CC1)NC[C@]1(O)CCN(C(=O)Cc2ncc[nH]2)C1 1039680510 HTRMTMZTSFTOKJ-MRXNPFEDSA-N 316.361 -0.555 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)c2ncccn2)C1 1040672854 DOYHMUIHTOGVFB-IINYFYTJSA-N 303.322 -0.671 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCOC3)C2)nc1 1040939343 QMYUITGYUXTNNF-JHJVBQTASA-N 302.334 -0.345 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)[C@H](CC)OC)C1 1041914062 TWLIDNPDMLTFOM-RYUDHWBXSA-N 312.366 -0.861 30 20 DBED C=CCn1cc(C(=O)N2CC[C@@H]3CCN(CCO)[C@@H]3C2)nn1 1042262856 PZVDIPVMNCFRJS-GXTWGEPZSA-N 305.382 -0.007 30 20 DBED CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)c2c[nH]c(C#N)c2)C1 1042669750 WIPSRBYLCCVYHI-SNVBAGLBSA-N 320.349 -0.386 30 20 DBED C#CCN1CC(N(C)C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 1042719874 WKPJCUIIQCKLHD-LLVKDONJSA-N 301.350 -0.462 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)/C=C\c2ccc[nH]2)C1 1042770254 OLUKNARNJQIQQX-DOGVGXBMSA-N 302.334 -0.123 30 20 DBED CCC(=O)N[C@H](C)C(=O)N1CC(O)(CNC(=O)C#CC(C)C)C1 1042943098 JLWBPTKCOYGECJ-GFCCVEGCSA-N 323.393 -0.750 30 20 DBED C[C@H](CC(N)=O)C(=O)N1CC(O)(CNC(=O)C#CC(C)(C)C)C1 1042970585 QKHDWORENJYQSN-LLVKDONJSA-N 323.393 -0.763 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)CCOCC)C1 1043032973 NWDWLDVMLHZKLV-UHFFFAOYSA-N 312.366 -0.858 30 20 DBED Cc1ocnc1C(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1043844897 MQSRFHNAROLGEW-MNOVXSKESA-N 314.305 -0.376 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)[C@@H]2CCCOCC2)C1 1045541201 RGDUDLDFLMYZCB-VXGBXAGGSA-N 309.366 -0.348 30 20 DBED C=C[C@](C)(CC)C(=O)NCC1(O)CN(C(=O)c2cnnn2C)C1 1045777707 MTPOQDWFBYMRCB-CQSZACIVSA-N 321.381 -0.280 30 20 DBED CN1CC[C@H](C(=O)N2CCN([C@H]3CCN(CC#N)C3)CC2)C1=O 1046056095 UWAOYUODFUBOGZ-KBPBESRZSA-N 319.409 -0.793 30 20 DBED C#CCN1CC[C@H](N2CCN(C(=O)Cn3ccnc3)CC2)C1 1046088573 QBMJZYRXYOYDFR-HNNXBMFYSA-N 301.394 -0.265 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2csc(NC(C)=O)n2)C1 1047438319 GQOWHKQLYBEGSF-RYUDHWBXSA-N 322.390 -0.148 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2cn(C)nc2OC)C1 1047482971 RCAZPIXBWWNSLT-STQMWFEESA-N 306.366 -0.431 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H]2[C@H]1CCN2Cc1nnnn1C 1049382865 PIMUVWRFXORDDM-GRYCIOLGSA-N 303.370 -0.065 30 20 DBED CNC(=O)CC(=O)N1CC[C@H]([C@H](C)NC(=O)C#CC2CC2)C1 1050539339 XPKFSVYUGJXGTI-AAEUAGOBSA-N 305.378 -0.111 30 20 DBED CC#CCN1CCOC[C@H]1CNC(=O)[C@H]1CCCCN1C(N)=O 1051200684 BMDQUMZNHIPQGP-ZIAGYGMSSA-N 322.409 -0.240 30 20 DBED N#CCSCC(=O)NC[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(N)=O 1053621744 QOBHQGHHFIGTSE-JGPRNRPPSA-N 324.406 -0.386 30 20 DBED C#CCN1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CNC(=O)N1 1054051981 LUJIADIVJZZVKC-LSDHHAIUSA-N 312.373 -0.156 30 20 DBED C[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1NCc1nc(O)n[nH]1 1054535807 YKOXZXKAQOFCLX-KWQFWETISA-N 315.337 -0.040 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2CN(C(=O)[C@H]3CCOC3)C[C@@H]2C1 1055217348 DOPBLIHCJNAFLK-ZQDZILKHSA-N 320.389 -0.022 30 20 DBED C=CCOCC(=O)N1C[C@@H]2CN(C(=O)c3cnon3)C[C@@H]2C1 1055248483 NZRRUVCCVAETOA-PHIMTYICSA-N 306.322 -0.197 30 20 DBED CCC(=O)NCC(=O)N1C[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2C1 1055253618 LHMOHEMHQYHQEB-SDDRHHMPSA-N 306.366 -0.411 30 20 DBED C[C@@]1(C(=O)N2CCN(c3cnc(C#N)cn3)CC2)CCC(=O)N1 1056001239 DYLKWILKKOSSDU-HNNXBMFYSA-N 314.349 -0.334 30 20 DBED CCN(C)CCC(=O)N[C@]1(CO)CCCN(C(=O)[C@H](C)C#N)C1 1056124362 VYLUMTNHORZCGT-CZUORRHYSA-N 324.425 -0.042 30 20 DBED C=CCOCCCC(=O)NCCN(CCO)C(=O)CCOC 1056730770 HZWHAQLZVJZROB-UHFFFAOYSA-N 316.398 -0.057 30 20 DBED CN(c1ccnc(C#N)n1)[C@@H]1CCN(C(=O)[C@@H]2COCCO2)C1 1056868256 AESITZAOKCGLBM-NEPJUHHUSA-N 317.349 -0.199 30 20 DBED CN(c1nccnc1C#N)[C@@H]1CCN(C(=O)c2ncn(C)n2)C1 1056910515 WMILZUHJGWUIRN-SNVBAGLBSA-N 312.337 -0.172 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)Cn1ccc(C)n1 1057445535 YSRQOXICMZQIHM-UHFFFAOYSA-N 320.393 -0.068 30 20 DBED N#Cc1nccnc1N1CC[C@@H](NC(=O)C[C@H]2CCC(=O)N2)C1 1058396960 YNXWTBGJRUWHNQ-GHMZBOCLSA-N 314.349 -0.288 30 20 DBED CN1C[C@@H](C(=O)N[C@@H]2CCN(c3ccc(C#N)nc3)C2)NC1=O 1058504193 JEMLLAFZROKXNR-YPMHNXCESA-N 314.349 -0.328 30 20 DBED C=C[C@](C)(CC)C(=O)N(CCO)CCNC(=O)c1cnn[nH]1 1058729648 PMXDJWMQOLUTCY-CQSZACIVSA-N 309.370 -0.042 30 20 DBED C[C@@]1(C(=O)N2CC[C@H](N=c3cc[nH]cc3C#N)C2)CNC(=O)C1 1059008045 ZYXCZZSLIYUEKB-LRDDRELGSA-N 313.361 -0.086 30 20 DBED C[C@@H](C(=O)N1CC[C@H](Nc2nccnc2C#N)C1)S(C)(=O)=O 1059109508 OAPWGFJVYDEHSN-UWVGGRQHSA-N 323.378 -0.206 30 20 DBED CN1CC[C@@H](C(=O)N[C@H]2C[C@@H](N=c3cc[nH]c(C#N)n3)C2)C1=O 1059786326 MYPKGZBKZRKPGZ-AXFHLTTASA-N 314.349 -0.692 30 20 DBED C[C@H](C#N)C(=O)NCC[C@@H]1CCN(C(=O)CCn2cnnn2)C1 1060228348 LAZARMNHEOZFIJ-VXGBXAGGSA-N 319.369 -0.422 30 20 DBED C=CCCC(=O)NCC[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 1060258715 LSSKMNGVYIVJTL-NEPJUHHUSA-N 308.382 -0.011 30 20 DBED N#Cc1cnc(NC[C@@H]2CCN(C(=O)C3(C(N)=O)CC3)C2)cn1 1060968116 VODCSNSYQTWHDT-JTQLQIEISA-N 314.349 -0.126 30 20 DBED C=CCOCC(=O)NC[C@H]1COCCN1C(=O)c1ccncn1 1061425490 CPSQHXGTXQJQPZ-LBPRGKRZSA-N 320.349 -0.364 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)CC1(O)CCC1 1061846780 HIFQHFJDGXCVHT-NWDGAFQWSA-N 309.366 -0.205 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)c1ccncn1 1061847948 OAEGKZKNOAALRF-MNOVXSKESA-N 303.322 -0.407 30 20 DBED C=CCOCC(=O)NCC1(NC(=O)c2cnnn2C)CCC1 1062702940 KEEYPTWZPSEOQG-UHFFFAOYSA-N 307.354 -0.214 30 20 DBED C=CCOCC(=O)NC1(CNC(=O)CNC(=O)CC)CCC1 1062714024 DXPLUGRZTGQCNM-UHFFFAOYSA-N 311.382 -0.130 30 20 DBED CN(C(=O)[C@H]1COC(=O)N1)[C@H]1CCN(c2ccnc(C#N)n2)C1 1062928403 IHMLGSXRDOOHMO-VHSXEESVSA-N 316.321 -0.506 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H]1CCCN1C(=O)[C@H]1CNC(=O)N1 1063552449 IDPRWURKJJCRIL-DGCLKSJQSA-N 314.349 -0.541 30 20 DBED N#Cc1cncc(N2CCO[C@@H](CNC(=O)c3cocn3)C2)n1 1063620607 UZNKVQJGYBQWMF-NSHDSACASA-N 314.305 -0.029 30 20 DBED C=CCOCC(=O)N1CCO[C@@H](CNC(=O)c2cncnc2)C1 1064970836 RKVBBKMYLYTBKD-ZDUSSCGKSA-N 320.349 -0.364 30 20 DBED C#CCOCCC(=O)N1CCO[C@H](CNC(=O)c2ccon2)C1 1065150637 SIGJEJSQMLLFRG-GFCCVEGCSA-N 321.333 -0.328 30 20 DBED C=CCCOCC(=O)N1CCO[C@H](CNC(=O)c2cc[nH]n2)C1 1065279487 BHIKXASGXGYUMQ-GFCCVEGCSA-N 322.365 -0.040 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)C[C@@H]2CCC(=O)N2)CCO1 1065331165 ADEUYEBTYNQNQM-STQMWFEESA-N 323.393 -0.035 30 20 DBED C=CCCO[C@H](C)C(=O)N1CCC[C@H](NC(=O)C(N)=O)CC1 1066469452 BMRQTCFMNIKHDR-NEPJUHHUSA-N 311.382 -0.050 30 20 DBED C[C@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@@H]1N=c1cc[nH]c(C#N)n1 1067186034 BKOPYRGAXHQOBC-UWVGGRQHSA-N 314.349 -0.706 30 20 DBED C=CCCOCC(=O)N1CC2(CN(C(=O)COC)CCO2)C1 1068274364 AUFUDRSRINZFER-UHFFFAOYSA-N 312.366 -0.335 30 20 DBED C=C(C)C[C@@H](C)C(=O)N1CC2(CC[C@H](CNC(=O)C(N)=O)O2)C1 1068618183 NICXLBNLTLMEHF-VXGBXAGGSA-N 323.393 -0.050 30 20 DBED C[C@@H]1[C@H](N=c2cc[nH]c(C#N)n2)CCN1C(=O)Cn1cncn1 1068847134 WXHWQYMFCDVZAW-GHMZBOCLSA-N 312.337 -0.537 30 20 DBED CCC1(NC(=O)[C@H](C)C#N)CCN(C(=O)CNC(=O)NC)CC1 1069423828 KJPLMHSFGNRLJZ-LLVKDONJSA-N 323.397 -0.038 30 20 DBED C#CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H]2CCOC2)C1 1069901410 DRKSTWKXEBDXHF-MJBXVCDLSA-N 303.366 -0.321 30 20 DBED COC(=O)NCC(=O)N[C@@H]1CCCN(C(=O)C#CC2CC2)C1 1070706863 MAENTOLGOKYSRM-GFCCVEGCSA-N 307.350 -0.137 30 20 DBED Cn1c(C(=O)N2C[C@@H]3C[C@@H]4CN(CC#N)C[C@]3(C2)O4)cnc1O 1070835097 HPOIKYRIBMIIFB-FIXISWKDSA-N 317.349 -0.435 30 20 DBED CN1CCC[C@H]1C(=O)N1CCC(=O)NCCN(CC#N)CC1 1070946103 RYHOVWZROPLSRB-ZDUSSCGKSA-N 307.398 -0.745 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)[C@H]2OCCO[C@H]2C)CC1 1070970483 HOMJWTUMXMHELJ-ZFWWWQNUSA-N 323.393 -0.926 30 20 DBED CC[C@@H]1CCO[C@@H]1C(=O)N1CCC(=O)NCCN(CC#N)CC1 1070971646 KDHRVCGLAMTLGG-HIFRSBDPSA-N 322.409 -0.024 30 20 DBED C=C(C)CN1CCO[C@H]2CCN(C(=O)Cn3cnnn3)C[C@H]21 1074159250 BPHNIQACNNPTME-OLZOCXBDSA-N 306.370 -0.449 30 20 DBED CC#CCN1CCO[C@H]2CCN(C(=O)c3ncn(C)n3)C[C@@H]21 1074226574 SJZBICGFWDYSMO-STQMWFEESA-N 303.366 -0.246 30 20 DBED CCC(=O)N1CCCC[C@H]1C(=O)N[C@@H]1CN(CC#N)C[C@H]1O 1077045032 TXBGSZQWZWCHFN-FRRDWIJNSA-N 308.382 -0.538 30 20 DBED COc1ccn2c(C(=O)N[C@@H]3CN(CC#N)C[C@H]3O)cnc2c1 1077388200 RPIDFXYGJDMWLS-DGCLKSJQSA-N 315.333 -0.359 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)c2cc(C(N)=O)c[nH]2)C1 1077903011 HRIITTYDSVCWPW-CHWSQXEVSA-N 306.366 -0.145 30 20 DBED Cc1[nH]nc2ncc(C(=O)N[C@@H]3CN(CC#N)C[C@H]3O)cc12 1078178005 UFYIILFYZYDURJ-VXGBXAGGSA-N 300.322 -0.435 30 20 DBED C=C[C@](C)(O)CC(=O)N(CC)C1CN(C(=O)[C@@H]2CNC(=O)N2)C1 1079686851 KZSDGDGIIDZNGR-NHYWBVRUSA-N 324.381 -0.946 30 20 DBED CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)CCc2cn(C)nn2)C1 1080419939 KJHNHSLNZYCSFL-LLVKDONJSA-N 318.381 -0.033 30 20 DBED C=CCOCC(=O)N1C[C@H](CNC(=O)c2ccnn2C)[C@@H](O)C1 1081322261 SMQBSSLMUWUWRE-AAEUAGOBSA-N 322.365 -0.828 30 20 DBED C=CCN1C[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)C2)[C@H](OC)C1 1081912336 ZOOLNWNHOCAXNW-IJLUTSLNSA-N 302.396 -0.578 30 20 DBED CC#CCN1C[C@@H](NC(=O)c2ccc(N(C)C)nn2)[C@H](OC)C1 1082330166 FSEFMPOIDBGZNQ-ZIAGYGMSSA-N 317.393 -0.005 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CN1CCCC1=O 1082995437 FYTDDURNQPNMIL-UONOGXRCSA-N 305.378 -0.456 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)Cc2cn3c(n2)CCCC3)C1 1083478134 WNQWBBLQFQXIJB-KGLIPLIRSA-N 302.378 -0.444 30 20 DBED CC(=O)NCc1ccc(C(=O)N[C@@H]2CN(CC#N)C[C@@H]2O)cc1 1083612719 KBMQMEXOXFXXNN-CABCVRRESA-N 316.361 -0.379 30 20 DBED C#CCN[C@@H]1CCCC[C@H]1NC(=O)CN1CCCS1(=O)=O 1085217944 YTKSOWNHJCWMAJ-CHWSQXEVSA-N 313.423 -0.328 30 20 DBED C=CCN[C@H]1C[C@H](CNC(=O)[C@@H]2CCN(C)S2(=O)=O)C1 1086503351 OSGZUHZSSACJMR-SRVKXCTJSA-N 301.412 -0.309 30 20 DBED COc1ccnc(O)c1C(=O)N[C@@H]1CCN(CC#N)C[C@H]1O 1090731387 RESVJYMVRIPUMV-NXEZZACHSA-N 306.322 -0.516 30 20 DBED Cc1nn2cccnc2c1C(=O)NCCN=c1cc[nH]c(C#N)n1 1093648435 RJBXHLYXGWUKJW-UHFFFAOYSA-N 322.332 -0.037 30 20 DBED C[C@@]1(C(=O)NCCN=c2cc[nH]cc2C#N)CCC(=O)NC1 1094059638 ONNXDWUDCPTZFX-OAHLLOKOSA-N 301.350 -0.180 30 20 DBED CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NCCCNc1cncc(C#N)n1 1094784994 DZOSGSNQURYIBW-NWDGAFQWSA-N 316.365 -0.009 30 20 DBED CNC(=O)CC(=O)N1CC[C@H](N(C)c2cncc(C#N)n2)C1 1095114126 ZOTINXVOKPWAEN-NSHDSACASA-N 302.338 -0.479 30 20 DBED CN(CCCNC(=O)CCn1ccnn1)c1cnc(C#N)cn1 1095535594 NRDPVXBXPRPJSX-UHFFFAOYSA-N 314.353 -0.027 30 20 DBED Cc1cc(C#N)nc(N(C)CCCNC(=O)[C@H]2COC(=O)N2)n1 1095547085 OMAZKFXRASHEHK-LLVKDONJSA-N 318.337 -0.292 30 20 DBED CC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1nnc(O)nc1O 1095694010 FPFLFZURNKTNTG-UTLUCORTSA-N 303.322 -0.359 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C1CC2(C1)NC(=O)NC2=O 1096150253 MVZDPEFJHLYYHD-LLGOSHAHSA-N 316.361 -0.671 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CCCN(c2ccc(C#N)nn2)C1 1096159954 GKHGKSFDIAVTOE-LLVKDONJSA-N 302.338 -0.431 30 20 DBED COCC(=O)NCCN1CCN(c2ncc(C#N)cc2F)CC1 1096267660 GVSMCGNHNAQQJN-UHFFFAOYSA-N 321.356 -0.023 30 20 DBED CNC(=O)NCC(=O)N[C@@H]1CCN(c2nc(C)cc(C#N)n2)C1 1096493033 HTPUYCVNXDALRY-SNVBAGLBSA-N 317.353 -0.719 30 20 DBED CC(=O)N(C)CC(=O)N[C@H]1C[C@H](Nc2cncc(C#N)n2)C1 1096992381 HQYBQMIOIOVPPE-XYPYZODXSA-N 302.338 -0.114 30 20 DBED C[C@H](CNC(=O)[C@@H]1CCCN1C(N)=O)Nc1cncc(C#N)n1 1097918718 AJPYFAXBIVDUOG-KOLCDFICSA-N 317.353 -0.192 30 20 DBED C[C@H](CNC(=O)C1CC(=O)NC(=O)C1)Nc1cncc(C#N)n1 1097937542 YWZZBOOMQMFXAX-MRVPVSSYSA-N 316.321 -0.682 30 20 DBED C#CCN(CCO)C1CCN(C(=O)C(=O)NCC(F)F)CC1 1098414788 DVQCEMGDOFFOAT-UHFFFAOYSA-N 317.336 -0.714 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)c2ccccn2)[C@@H](O)C1 1099618666 XNXMKWCZLHJJJV-JSGCOSHPSA-N 318.377 -0.451 30 20 DBED COCCCN1CC[C@@H](NC(=O)CSCC#N)[C@@H](O)C1 1099686125 AXCQILDGADTBTJ-NEPJUHHUSA-N 301.412 -0.169 30 20 DBED C=C(Cl)CN1CC[C@@H](NC(=O)CCn2ccnn2)[C@H](O)C1 1099795211 ZICOUANPGYZYOW-VXGBXAGGSA-N 313.789 -0.028 30 20 DBED CN1CCO[C@H](C(=O)NCCN(C)c2ccnc(C#N)n2)C1 1099996841 RXYOVFLPQHLPJT-NSHDSACASA-N 304.354 -0.769 30 20 DBED CC(C)CCC(=O)NCC(=O)N[C@H]1CCN(CC#N)C[C@@H]1O 1100037171 VIYCZMGKLZBLKC-STQMWFEESA-N 310.398 -0.386 30 20 DBED C=CCCCN1CC[C@@H](NC(=O)CS(=O)(=O)CC)[C@H](O)C1 1100129772 RTFPYODQYAUIAW-CHWSQXEVSA-N 318.439 -0.061 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)[C@H]2OCCO[C@H]2C)C1 1100415175 BTQATSMWPWVPMN-CLTVBZQCSA-N 323.393 -0.976 30 20 DBED CC(=O)N(C)CC(=O)NC[C@@H]1CCN(c2nccnc2C#N)C1 1100960288 XKGXIERHJXVDSR-LBPRGKRZSA-N 316.365 -0.231 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)[C@H]2CCOC2)C1 1101788399 FCQVPTAFMGRLNZ-HZSPNIEDSA-N 307.394 -0.544 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1CNC(=O)CCn1cnccc1=O 1102489580 PRYLGADEGQLULW-CHWSQXEVSA-N 303.366 -0.159 30 20 DBED CCn1cc(C(=O)N(C)[C@H](C)CN=c2cc[nH]c(C#N)n2)nn1 1104652712 PPEZGGJCAKILHU-SNVBAGLBSA-N 314.353 -0.046 30 20 DBED C#CCNCc1cn(C2CN(C(=O)CCc3nc[nH]n3)C2)nn1 1105205271 OMMMZQVSENLVBE-UHFFFAOYSA-N 314.353 -0.865 30 20 DBED C#CCC1(C(=O)N2CC(n3cc(CNCCO)nn3)C2)CCC1 1105259932 SETAASCGBIOWTB-UHFFFAOYSA-N 317.393 -0.063 30 20 DBED C=CCCNCc1cn(C2CN(C(=O)[C@@H](C)CC(N)=O)C2)nn1 1105300711 BIIJPJBIPVBVCF-NSHDSACASA-N 320.397 -0.161 30 20 DBED CN(CCN(C)c1ncccc1C#N)C(=O)[C@@H]1CNC(=O)N1 1105540866 ALVUVAFKQSWYCK-NSHDSACASA-N 302.338 -0.471 30 20 DBED Cc1cc(C#N)nc(N(C)CCN(C)C(=O)[C@H]2C[C@H]2C(N)=O)n1 1105560170 DKFFERIWYKYGSK-NEPJUHHUSA-N 316.365 -0.327 30 20 DBED CC[C@@H]1CCO[C@@H]1C(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1 1106160023 RZFOSSWIDRGNAH-GYSYKLTISA-N 319.365 -0.526 30 20 DBED C[C@@H](CCNc1nccnc1C#N)NC(=O)[C@@H]1CN(C)CCO1 1106294129 OYVURBONKNSGEN-AAEUAGOBSA-N 318.381 -0.014 30 20 DBED C[C@H](CCNc1cnc(C#N)cn1)NC(=O)[C@H]1CN(C)C(=O)N1 1106518500 CKBDJRULTMMXDQ-MWLCHTKSSA-N 317.353 -0.321 30 20 DBED C[C@@H](CCN=c1cc[nH]cc1C#N)NC(=O)[C@H]1CN(C)C(=O)N1 1106519920 URNOPCCMMIPNDI-GXFFZTMASA-N 316.365 -0.295 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@H]1C 1106591085 MPZAKPRDQUYGKB-CHWSQXEVSA-N 318.377 -0.283 30 20 DBED COCC#CCN1CC(n2cc(CNC(=O)CCOC)nn2)C1 1107113895 WQFNEQZHKKGGOQ-UHFFFAOYSA-N 321.381 -0.563 30 20 DBED O=C(C#CC1CC1)NCc1cn(C2CN(CCCO)C2)nn1 1107171245 PNHMQIBPFKXVAO-UHFFFAOYSA-N 303.366 -0.453 30 20 DBED CC(C)C[C@@H](C(N)=O)C(=O)N[C@H](C)CN=c1cc[nH]c(C#N)n1 1107829950 TVRCXWDVHLMCHX-MNOVXSKESA-N 318.381 -0.166 30 20 DBED C#CCCN1CCO[C@@](C)(CNC(=O)[C@@H]2CCCNC2=O)C1 1108010029 LGXAYPODAZDCIY-CJNGLKHVSA-N 307.394 -0.257 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)CNC(=O)[C@H](C)CC)C1 1108405015 QKUNNEMWZNBFLY-CJNGLKHVSA-N 309.410 -0.011 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@H]1CC(=O)N(C2CN(CC#CC)C2)C1 1108538746 NGLAQOUVXXBAHO-GUYCJALGSA-N 319.405 -0.262 30 20 DBED C=CCOCC(=O)N1C[C@H]2C[C@H](NCC(=O)NCC#N)C[C@H]1C2 1108649494 LYLFXNGFNIWWTG-MELADBBJSA-N 320.393 -0.202 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCCN(C)C 1110959045 FCDAYLKJKKMCBS-KFWWJZLASA-N 320.437 -0.201 30 20 DBED CN(C)CCC(=O)N(C)[C@H]1CN(c2ncccc2C#N)C[C@@H]1O 1111197851 UUUPYSJPFDGVKR-KBPBESRZSA-N 317.393 -0.087 30 20 DBED N#Cc1c(F)cccc1N1CCC[C@@](CO)(NC(=O)C(N)=O)C1 1111364312 RZCAYMITINUTND-OAHLLOKOSA-N 320.324 -0.370 30 20 DBED CN1CCC[C@H]1C(=O)N(CCO)CCNc1nccnc1C#N 1111429521 ONBFWKMDNAQKRJ-ZDUSSCGKSA-N 318.381 -0.325 30 20 DBED C#CCNC(=O)CC(=O)N1CCN(Cc2cc(C)no2)CC1 1112773923 BOXMIVGGLYXIOB-UHFFFAOYSA-N 304.350 -0.233 30 20 DBED CNC(=O)NCC(=O)N[C@H](C)[C@@H](C)Nc1cncc(C#N)n1 1113349852 KPGUBZTUSCWEGL-RKDXNWHRSA-N 305.342 -0.418 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)c3cnccn3)[C@@H]2C1 1113790673 KIDKISIUAHRJFW-GHMZBOCLSA-N 301.350 -0.561 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H]2[C@@H]3CN(CCOCCO)C[C@@H]32)c1 1114103800 QBBIJKIZQJRHKK-IMRBUKKESA-N 304.350 -0.445 30 20 DBED CC#CCN1C[C@H]2C(NC(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)[C@@H]2C1 1114596257 RUIQNPXKGLFDFK-SYQHCUMBSA-N 319.405 -0.131 30 20 DBED C#CCC[C@H](O)CNC(=O)C(=O)Nc1cc(C)cn(C)c1=O 1116921976 LEOYUZNBCXDMAR-NSHDSACASA-N 305.334 -0.477 30 20 DBED CCSCCC(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1 1121092861 UAANKPCGZWTHKF-SNVBAGLBSA-N 309.395 -0.198 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)[C@H]2CCC(=O)N2)nc1 1121235430 ONMFZGKZVULCDU-WDEREUQCSA-N 303.322 -0.879 30 20 DBED N#Cc1ccc(C(=O)NC[C@H](CO)Nc2nccnc2C#N)[nH]1 1121317313 KDYADQPOVOYCLU-SNVBAGLBSA-N 311.305 -0.249 30 20 DBED Cc1nc(N[C@H](CO)CNC(=O)c2cnnn2C)ccc1C#N 1121387889 WSUNUBNBABEMGB-NSHDSACASA-N 315.337 -0.407 30 20 DBED Cc1cc(C#N)nc(N[C@H]2CCN(C(=O)CNC(N)=O)[C@@H]2C)n1 1122933600 YRKLPYZFJNNXNT-KOLCDFICSA-N 317.353 -0.274 30 20 DBED Cc1cc(NC[C@H](O)CN(C)C(=O)[C@H](C)C#N)nc(CO)n1 1124191033 KFZPZLBVTXSZEQ-KOLCDFICSA-N 307.354 -0.332 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)c1cscn1 1124736867 HLHFCMLMWJCUBC-UHFFFAOYSA-N 311.367 -0.526 30 20 DBED C=C(C)CN(CC)C(=O)[C@H](C)NCCNC(=O)[C@H]1CCC(=O)N1 1124810670 ZKOYSLKHGISPQS-QWHCGFSZSA-N 324.425 -0.216 30 20 DBED CN(C[C@@H](O)CN(C)c1nccnc1C#N)C(=O)[C@@H]1CCCO1 1124939235 HAEAKVFMCRXQGI-AAEUAGOBSA-N 319.365 -0.217 30 20 DBED C#CCNC(=O)CC(=O)NCCNCc1ncnn1C(C)(C)C 1125977965 IYDLMQDRCUULPO-UHFFFAOYSA-N 320.397 -0.622 30 20 DBED C#CCOCCC(=O)NCCNCC(=O)Nc1cc(C)no1 1127027572 UUPLXPXAMJEFPG-UHFFFAOYSA-N 308.338 -0.333 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@H](C)NC(=O)C1CCCC1 1127972732 CNFOZMIJKOLSRQ-LBPRGKRZSA-N 322.409 -0.864 30 20 DBED C#CCOCCC(=O)NCc1cnn2c1CN(CCO)CC2 1128362164 CJWPWDQDCGKUOZ-UHFFFAOYSA-N 306.366 -0.653 30 20 DBED C=CCOCCNCCNC(=O)CCCN1C(=O)CCC1=O 1128758227 IEBOQDDCQJEYNP-UHFFFAOYSA-N 311.382 -0.176 30 20 DBED CCOCC1(C(=O)N[C@@H]2CN(CC#N)C[C@@H]2n2ccnn2)CC1 1129084737 WAJCHMAFARFWBG-OLZOCXBDSA-N 318.381 -0.040 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1ccc(N(C)C)nc1 1130715682 FPQKIMZTQMSULI-UHFFFAOYSA-N 303.366 -0.784 30 20 DBED C#CCN1CCOC[C@H]1c1n[nH]c(CNC(=O)[C@H](C)OC)n1 1130835430 MOYSIHOQMKOQPK-QWRGUYRKSA-N 307.354 -0.538 30 20 DBED C#CCCN1CCNC(=O)CCN(C(=O)CCN(C)C)CC1 1131380891 BQPDIOWXYRWBBQ-UHFFFAOYSA-N 308.426 -0.388 30 20 DBED C#CCCN1CC[C@]2(C1)CN(C(=O)CNC(=O)NC)C[C@H](C)O2 1131665032 CIJWGGVSNWXHDI-BBRMVZONSA-N 322.409 -0.370 30 20 DBED CC#CCN1CC[C@@]2(C1)CN(C(=O)CNC(=O)NC)C[C@@H](C)O2 1131665880 KJHBTKVJRDVARP-CZUORRHYSA-N 322.409 -0.370 30 20 DBED COCC#CCN1C[C@H](NC(=O)CNC(=O)OC)CC[C@H]1C 1131843858 OLNNNHXLQCNRKE-CHWSQXEVSA-N 311.382 -0.039 30 20 DBED COCC#CCN1C[C@H](NC(=O)CCn2cnnn2)CC[C@H]1C 1132380265 HRAVXKGKWHFNLV-ZIAGYGMSSA-N 320.397 -0.318 30 20 DBED C=CCOCCN1CCC2(C1)CN(C(=O)Cn1cnnn1)C2 1146973963 LVZIGGATYAMJJV-UHFFFAOYSA-N 306.370 -0.590 30 20 DBED N#Cc1ccc(CNCCNC(=O)CN2C(=O)CCC2=O)s1 1150472925 MANRVTFPYNJYQE-UHFFFAOYSA-N 320.374 -0.025 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)[C@H](C)N2CCOCC2)C1 1150831327 LRZHDDIRLRBFMH-LSDHHAIUSA-N 309.410 -0.453 30 20 DBED C=CCCN1CCCO[C@@H](CNC(=O)C[C@H]2CC(=O)NC2=O)C1 1150833739 ZBGHHZQKMRZMOM-STQMWFEESA-N 323.393 -0.178 30 20 DBED C=CCNC(=O)CNCCNC(=O)CCCc1nc(C)no1 1150937531 MWCBCYNIPHMOBO-UHFFFAOYSA-N 309.370 -0.291 30 20 DBED C=CCO[C@H](C)C(=O)NCCNC[C@H](O)CN1CCCC1=O 1153135448 UCJYZAZBWLSFOE-OLZOCXBDSA-N 313.398 -0.733 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)Cc1nonc1C 1156116674 UJSLMCPTBUQVDS-SNVBAGLBSA-N 322.369 -0.613 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)C[C@H]1CCCC(=O)N1 1162183472 HZRHGSYWPZXWIW-QWHCGFSZSA-N 324.425 -0.168 30 20 DBED C#CCCN1CCC(CNC(=O)[C@@H]2COC(=O)N2)(COC)CC1 1162242297 QLIKCPUWVBAWCV-ZDUSSCGKSA-N 323.393 -0.037 30 20 DBED CCN(CCC#N)C(=O)CNCCCNC(=O)CCN(C)C 1165794578 XAMHGKHKBJCGHF-UHFFFAOYSA-N 311.430 -0.204 30 20 DBED C=CCNC(=O)CNCCCNC(=O)Cn1nnnc1C(C)C 1167864839 VMPHPSYLUYADCP-UHFFFAOYSA-N 323.401 -0.805 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)C2(C(=O)NC)CC2)C1=O 1168269365 MNBOWQSDSRTKOX-GFCCVEGCSA-N 322.409 -0.605 30 20 DBED COCC#CCNCCCC[C@@H](C)NC(=O)Cn1cnnc1O 1170319535 RGRCASPHZRMMCT-CYBMUJFWSA-N 323.397 -0.102 30 20 DBED CC#CCN1CCO[C@@H]2CCN(C(=O)CNC(=O)CC)C[C@@H]21 1176961492 AAPFAHSUVKJLRX-UONOGXRCSA-N 307.394 -0.162 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)CS(=O)(=O)CC)C[C@@H]21 1177150409 MEWMCUQNTFARJH-QWHCGFSZSA-N 314.407 -0.644 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@@H](CC(C)C)C(N)=O 1177528059 COSOCKHQVSXYHF-LBPRGKRZSA-N 312.414 -0.468 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)CCc2cn[nH]c2)[C@H]1C 1179686072 SEVVOZURVQPSEH-JSGCOSHPSA-N 317.393 -0.329 30 20 DBED CN1C(=O)CN(CC(=O)NCCCCCCNCC#N)C1=O 1180053101 WBVSOQDHEFOACZ-UHFFFAOYSA-N 309.370 -0.330 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](C)C2)C1 1186941720 OXSAKVGTAUJTFJ-UONOGXRCSA-N 307.394 -0.305 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC[C@@H](N(C)Cc2nnn(C)n2)C1 1189918433 QIMMLJQMGKSUQZ-BXUZGUMPSA-N 308.386 -0.430 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)Cc2cnc(C)o2)C1 1190634526 HSOWQLJJUONHLW-CYBMUJFWSA-N 318.377 -0.192 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CN(CC(=O)N2CCCCC2)C[C@H]1O 1191854754 REIOKFQTQRUBEU-YNEHKIRRSA-N 308.382 -0.680 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)CC(C)(C)C=C)C1 1193345733 VMSYHXGEDMAVDF-MGPQQGTHSA-N 321.421 -0.112 30 20 DBED CC#CCN(C)[C@@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)C1 1193450380 GCWJVNXOXLNRGB-LLVKDONJSA-N 314.349 -0.413 30 20 DBED COCC#CCN1CCCN(C(=O)[C@@H]2C[C@@H]2C(=O)OC)CC1 1195191930 RKWOBCASNNFBHG-KGLIPLIRSA-N 308.378 -0.020 30 20 DBED COCC#CCNC1CCN(C(=O)C2CS(=O)(=O)C2)CC1 1200731306 WAUMHWRKPWKRFZ-UHFFFAOYSA-N 314.407 -0.739 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)[C@@H]2CN(CC)CCO2)CCCO1 1202115570 JWDOHKPVMMLPES-CVEARBPZSA-N 323.437 -0.063 30 20 DBED CNC(=O)CC(=O)N[C@@H]1C[C@@H](NCC#CCOC)C12CCC2 1202805360 LGUHYWYLNAOIPT-CHWSQXEVSA-N 307.394 -0.211 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2nc(O)n[nH]2)C[C@H]1C 1206960245 ZVJJXHMSLRALFA-GHMZBOCLSA-N 307.354 -0.513 30 20 DBED C[C@@H](C(=O)N1CCC[C@H](NCC(=O)NCC#N)C1)n1cccn1 1207420993 SBFFFLYAZXMTGZ-STQMWFEESA-N 318.381 -0.336 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)c2cnn(C)c2)C[C@H]1C 1214105096 YJEXYKQTMNPECA-DGCLKSJQSA-N 305.382 -0.228 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CN(Cc2cccc(C(N)=O)c2)C[C@@H]1O 1219378822 GIBBOEMCLACCRM-HONMWMINSA-N 316.361 -0.394 30 20 DBED Cc1nc([C@@H](C)N2C[C@H](O)[C@H](NC(=O)C#CC(C)C)C2)n[nH]1 1219587788 VYZHQUASZAWUMD-RTXFEEFZSA-N 305.382 -0.005 30 20 DBED C=C(C)C(C)(C)C(=O)N[C@@H]1CN(CC(=O)N2CCC2)C[C@@H]1O 1220123868 ODDAHVIBOALTKJ-OLZOCXBDSA-N 309.410 -0.018 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)CNC(=O)c2ccccc2)C1 1220834662 GDFATYYTSBXRMF-KGLIPLIRSA-N 303.362 -0.236 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)Cc2c(C)noc2C)C1 1220951724 OQXVAHOIAXNXQT-CABCVRRESA-N 321.377 -0.355 30 20 DBED C=CCOCC(=O)N1C[C@H]2CCN(CC(=O)NCC#N)C[C@H]21 1221443221 RWQNYQYVMCBGQK-CHWSQXEVSA-N 306.366 -0.639 30 20 DBED C#CCNC(=O)CC(=O)NCC1CCN(CC(=O)NCC)CC1 1222907759 QDJZQMGNAFKHPJ-UHFFFAOYSA-N 322.409 -0.910 30 20 DBED CO[C@@H](C(=O)NCC1CCN(CC(=O)NCC#N)CC1)C1CC1 1223043833 VMSRLSUFVSZECW-OAHLLOKOSA-N 322.409 -0.121 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)c2cnon2)CC1 1224894589 MYKHDWIOBUBHBB-UHFFFAOYSA-N 305.338 -0.739 30 20 DBED COCC#CCN1CC[C@@H]1CN(C)C(=O)Cn1cnnc1O 1233848427 XPKUFOUIHUEJKH-GFCCVEGCSA-N 307.354 -0.834 30 20 DBED C=CCNC(=O)CN(C)CCCNC(=O)Cn1cc(C)cn1 1234622928 MZCDGLUJIKFOOS-UHFFFAOYSA-N 307.398 -0.068 30 20 DBED CN(C[C@@H]1CCN1CC(=O)NCC#N)C(=O)CCc1cnc[nH]1 1235122602 INIBYQONOCTIOW-ZDUSSCGKSA-N 318.381 -0.485 30 20 DBED CN(CC(=O)N1CCCC1)C(=O)C(=O)N1CCC[C@H](C#N)C1 1262527727 OIISLSXRMZNPDY-GFCCVEGCSA-N 306.366 -0.171 30 20 DBED C=CCn1c([C@H]2CCC(=O)N2)nnc1N(C)CCNC(C)=O 1262929071 BJFVISTYKHBNFO-LLVKDONJSA-N 306.370 -0.013 30 20 DBED CN1C[C@H]2CN(C(=O)C(=O)Nc3cnn(CC#N)c3)C[C@H]2C1 1322240983 BZKFJOVLFPYWKY-PHIMTYICSA-N 302.338 -0.635 30 20 DBED CN1CCC(C#N)(NC(=O)[C@H]2CCc3nnnn3CC2)CC1 1326496177 HJTPSERZGGKLTR-NSHDSACASA-N 303.370 -0.270 30 20 DBED C[C@H](OC(=O)[C@@H]1CC[C@H](C(N)=O)O1)C(=O)NC1(C#N)CCC1 1328917307 SQNPJHPYDOZEHN-AEJSXWLSSA-N 309.322 -0.487 30 20 DBED N#CCOc1ccc(NC(=O)C(=O)NCCOCCO)cc1 1328954167 BKXJMHUKAXFBIO-UHFFFAOYSA-N 307.306 -0.347 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N1CCCC[C@H]1CNC(C)=O 1330731577 NVPXYGFOXRPOOV-STQMWFEESA-N 311.382 -0.179 30 20 DBED C#CCN(C(=O)C(=O)NCc1cnc(N(C)C)n1C)C(C)C 1333871599 SWYYWUVOEAJXBZ-UHFFFAOYSA-N 305.382 -0.028 30 20 DBED N#C[C@H](C(=O)C[C@H]1CCCO1)C(=O)N1CCS(=O)(=O)CC1 1356016808 ITETZWLITONVAP-GHMZBOCLSA-N 314.363 -0.479 30 20 DBED C=CCOCCNC(=O)C(=O)N1C[C@@H](C(=O)O)[C@H](C2CC2)C1 1356423004 JJVPMFMWHQMFSF-NWDGAFQWSA-N 310.350 -0.126 30 20 DBED CN(C[C@H]1CCOC1)C(=O)CCn1cc(C#N)c(O)nc1=O 1362189895 RRKKLNULGLZCOT-SNVBAGLBSA-N 306.322 -0.294 30 20 DBED COCC(C)(C)CNC(=O)CCn1cc(C#N)c(O)nc1=O 1362508612 LARIKPCMHCSJPM-UHFFFAOYSA-N 308.338 -0.001 30 20 DBED COCCn1nc(C(=O)N2CC[C@@](O)(CC#N)C2)ccc1=O 1362594638 FUVMIPVUQSOBAJ-AWEZNQCLSA-N 306.322 -0.620 30 20 DBED CN(CCS(N)(=O)=O)[C@H]1CCN(c2ccc(C#N)cc2)C1=O 1364501114 OEQGLSZCZMWEGI-ZDUSSCGKSA-N 322.390 -0.116 30 20 DBED COC(=O)[C@H]1CCCN1C(=O)CCn1cc(C#N)c(O)nc1=O 1364918009 UOGCOWNAGWDIFC-SNVBAGLBSA-N 320.305 -0.625 30 20 DBED C=C(Cl)CN[C@H]1C[C@H](NC(=O)C[C@H](NC(C)=O)C(N)=O)C1 1366124345 OXFPHNXFOAYYTA-DCAQKATOSA-N 316.789 -0.644 30 20 DBED CCN(CCNC(=O)[C@@H](C)C#N)C(=O)c1ccc(C(N)=O)nc1 1373938047 JDKBIEHOQSPSHG-JTQLQIEISA-N 317.349 -0.082 30 20 DBED CCC(=O)NC[C@H]1CN(CC(=O)N(CC)CCC#N)CCO1 1374114017 HWFCQXBMMRDBKD-ZDUSSCGKSA-N 310.398 -0.024 30 20 DBED C[C@@H](C#N)C(=O)N(CCNC(=O)c1cc(C(N)=O)c[nH]1)C1CC1 1388677890 SKFIXVGULJOXST-VIFPVBQESA-N 317.349 -0.006 30 20 DBED C[C@H](C#N)C(=O)NCC(C)(C)CN(C)C(=O)CCNC(N)=O 1395009894 VUXOFQROIFHSBZ-SNVBAGLBSA-N 311.386 -0.195 30 20 DBED CNC(=O)NC(=O)CN[C@@H](C)CCNC(=O)c1cc(C#N)c[nH]1 1399304311 OFFNVFFIVUMWIV-VIFPVBQESA-N 320.353 -0.560 30 20 DBED C[C@@H](C#N)C(=O)NCCN1CCN([C@@H](C)c2nncn2C)CC1 1402101633 JYLNHBSPXRMQHO-STQMWFEESA-N 319.413 -0.230 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CCCN(C(=O)c2c[nH]c(=O)cn2)C1 1407408376 INCAKRUNYAIZKG-ZJUUUORDSA-N 303.322 -0.350 30 20 DBED N#Cc1cn(CCNS(=O)(=O)c2ccccn2)c(=O)nc1O 1413399129 MLUHXRCGAISHPW-UHFFFAOYSA-N 321.318 -0.806 30 20 DBED Cn1c(=O)[nH]c(N2CCC[C@H]2C(=O)NC(C)(C)C)c(C#N)c1=O 1421269246 OOBXEIIADFHAFR-JTQLQIEISA-N 319.365 -0.171 30 20 DBED C[C@H](C#N)C(=O)N1CCC(O)(CNCc2nncn2C)CC1 1422098827 PDOKYVLUKJBTMZ-LLVKDONJSA-N 306.370 -0.582 30 20 DBED COCCN(CCNC(=O)[C@@H](C)C#N)C(=O)[C@@H]1CCN(C)C1 1426072047 PUVGQMXBGYGIEI-QWHCGFSZSA-N 310.398 -0.311 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CCCN(C(=O)CCn2cnnn2)C1 1428940885 AAELCVKPNYTJQW-NEPJUHHUSA-N 319.369 -0.328 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)CCNC(N)=O 1430059973 VBXHMALEOOSJTI-MXWKQRLJSA-N 307.354 -0.594 30 20 DBED CCc1nn(C)cc1C(=O)NC[C@H](O)CNC(=O)[C@@H](C)C#N 1431554068 UJNGYVUBEIXRCM-VHSXEESVSA-N 307.354 -0.651 30 20 DBED CCCN(C(=O)Cn1ncnn1)[C@H]1CCN(C(=O)[C@@H](C)C#N)C1 1449993463 CLKFCZIKLSPPLJ-RYUDHWBXSA-N 319.369 -0.328 30 20 DBED CCS(=O)(=O)CC(=O)N(C)C[C@H]1CCN1C(=O)[C@H](C)C#N 1452866175 ZVQVLSJAAALLIV-GHMZBOCLSA-N 315.395 -0.360 30 20 DBED CCCc1n[nH]cc1C(=O)NC[C@@H](O)CNC(=O)[C@@H](C)C#N 1458025803 WGBYCXAJRUKAMH-UWVGGRQHSA-N 307.354 -0.271 30 20 DBED Cn1c(=O)[nH]c(NC2CN(C(=O)OC(C)(C)C)C2)c(C#N)c1=O 1458176861 BYOHKYABNGAAAF-UHFFFAOYSA-N 321.337 -0.024 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)c2ccc(=O)n(C)c2)C1 1494073473 MSCDEJAGBWRDGG-DLOVCJGASA-N 302.334 -0.078 30 20 DBED CC(C)OCC(=O)N(C)C[C@@H](O)CNC(=O)c1c[nH]c(C#N)c1 1511498239 OAPQQGJACHIKIQ-ZDUSSCGKSA-N 322.365 -0.140 30 20 DBED CCN(CCNC(=O)[C@H]1C[C@H]1C(N)=O)C(=O)c1cc(C#N)c[nH]1 1529121168 IKBRJHNMIVHMQV-MNOVXSKESA-N 317.349 -0.414 30 20 DBED C=CCN(CC=C)C(=O)CN1CC(NC(=O)[C@@H]2C[C@@H]2C(=O)O)C1 1573360366 MOTNMCNWVIQLOY-OLZOCXBDSA-N 321.377 -0.292 30 20 DBED CCCN(CC(=O)N(C)C)c1cnc(-c2nn[nH]n2)c(C#N)n1 1577575918 GZOJRSONFKBPEK-UHFFFAOYSA-N 315.341 -0.167 30 20 DBED N#Cc1ncc(N2CCc3c(O)ncnc3C2)nc1-c1nn[nH]n1 1581882813 IEBIRYFMGKUERC-UHFFFAOYSA-N 322.292 -0.413 30 20 DBED C#CC[C@H](NS(=O)(=O)c1n[nH]c(C)c1C(=O)OC)C(=O)O 1588423727 OUPNWWKNNSVVPV-ZETCQYMHSA-N 315.307 -0.740 30 20 DBED C#Cc1ccc(NC(=O)C(=O)N2C[C@@H](C(=O)O)C[C@@H](O)C2)cc1 1588516926 HWTGMDWXGHQBON-WCQYABFASA-N 316.313 -0.100 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N1C[C@H](C)O[C@H](C(=O)O)C1 1589330897 UISZLHGBAGBSNV-UTLUCORTSA-N 305.356 -0.503 30 20 DBED Cc1cc(NC(=O)C(=O)N2CCO[C@@H](C(=O)O)C2)ncc1C#N 1594313593 NDPAKQUXIVESAZ-SNVBAGLBSA-N 318.289 -0.488 30 20 DBED C=CC[C@@H](CO)CNC(=O)C(=O)Nc1c(C(=O)O)cnn1C 1602837462 WAIMBCYAZZNTNK-MRVPVSSYSA-N 310.310 -0.642 30 20 DBED N#C[C@]12CN(C(=O)[C@H](C(=O)O)C3CC3)C[C@H]1CS(=O)(=O)C2 1605590394 CVSJMMISRIKMAG-OPQQBVKSSA-N 312.347 -0.506 30 20 DBED CS(=O)(=O)c1ccccc1C(=O)NCCn1cnc(C#N)n1 1647189463 NYBKZKOQFDVGMP-UHFFFAOYSA-N 319.346 -0.017 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@@H](NC(=O)c2snnc2CC)C1 1752741154 OTVDHQSUXIKXDP-AOOOYVTPSA-N 321.406 -0.300 30 20 DBED C#CCCNC[C@H]1CCCN(C(=O)C[C@H](NC(C)=O)C(N)=O)C1 1752807879 PPDFLFSVBWVGGA-KGLIPLIRSA-N 322.409 -0.782 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H](C)NCC(=O)NC(=O)NC)nc1 1752912423 CCUFFACCXLWXNQ-SNVBAGLBSA-N 317.349 -0.774 30 20 DBED C#CCO[C@H](C)C(=O)NCC1CN([C@H](C)C(=O)NC2CC2)C1 1753403160 OLRSHAQSHMVQHB-VXGBXAGGSA-N 307.394 -0.260 30 20 DBED Cc1cc(=O)c(C(=O)N(C)[C@H](C)CNCC(=O)NCC#N)c[nH]1 1753720237 WEAGYMJJWLJTNR-LLVKDONJSA-N 319.365 -0.627 30 20 DBED COCC#CCN[C@H]1CCN(C(=O)CN2CCOCC2)C[C@@H]1C 1753753081 MAZIBKGDOACUAO-HOTGVXAUSA-N 323.437 -0.205 30 20 DBED C#CCNC(=O)CNC[C@H](O)CNC(=O)C(C)(C)C(C)(F)F 1753935026 OLZDXNVMRHOWQS-JTQLQIEISA-N 319.352 -0.516 30 20 DBED C#CCNC(=O)CNCC[C@@H](C)NC(=O)c1ncccc1O 1753960005 YDJPTEAAEDTCKJ-LLVKDONJSA-N 304.350 -0.365 30 20 DBED C#CCNC(=O)CNC/C=C/CNC(=O)c1cnn(C)c1CC 1754143113 FYMIVPIRWGWSEC-VOTSOKGWSA-N 317.393 -0.393 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CNCCN1C(=O)CNC1=O 1754283931 QUDKEVWWNRHRHX-TUAOUCFPSA-N 324.381 -0.776 30 20 DBED COCC#CCN(C)C[C@@H](C)NC(=O)CN1CCC(=O)NC1=O 1754330941 PUGQZTZHSIVTIU-GFCCVEGCSA-N 324.381 -0.985 30 20 DBED CCn1ccnc1C(=O)NC[C@]1(O)CCN(CC#CCOC)C1 1754749404 UYGAMWMXUFMDIF-MRXNPFEDSA-N 320.393 -0.281 30 20 DBED C[C@@H](NC1CCN(CCNC(=O)C#CC2CC2)CC1)C(N)=O 1754848477 HSVMSANSXBYWNW-GFCCVEGCSA-N 306.410 -0.556 30 20 DBED C[C@H](NC1CCN(CCNC(=O)C#CC2CC2)CC1)C(N)=O 1754848478 HSVMSANSXBYWNW-LBPRGKRZSA-N 306.410 -0.556 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)CNS(=O)(=O)NC)C[C@H]1C 1755159916 DSYQGJKPGCBDKZ-VXGBXAGGSA-N 318.443 -0.415 30 20 DBED C#CCN1CCN(CCCCCNC(=O)CNC(C)=O)CC1 1755173325 QOSFUHKZSWWWPP-UHFFFAOYSA-N 308.426 -0.340 30 20 DBED C#CCN(C)C[C@@H]1CCCN1C(=O)CCn1cc[nH]c(=O)c1=O 1755210002 MIRYTKRXBXGQEV-ZDUSSCGKSA-N 318.377 -0.517 30 20 DBED C#CCN1CCCCC[C@H]1CNC(=O)CN1CCNC(=O)C1 1755366117 LCCGHHZMZUIDIG-AWEZNQCLSA-N 306.410 -0.588 30 20 DBED CCC(=O)NCC(=O)N[C@@H]1CN(CC#CCOC)CC1(C)C 1755408602 UEOVLCFWHVMIGV-CYBMUJFWSA-N 309.410 -0.011 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H]1C[C@H](NC(=O)[C@H]2COCCO2)C1 1756245040 ZBQJLQWPRPYSNP-AAVRWANBSA-N 324.377 -0.549 30 20 DBED CN(C(=O)C#CC1CC1)[C@@H](CNC(=O)[C@@H]1COC(=O)N1)C1CC1 1756413033 JXUNOESCIRQCHP-STQMWFEESA-N 319.361 -0.139 30 20 DBED CNC(=O)CNC(=S)NN=Cc1ccc(C(=O)O)cc1OC 1776042530 XTUCPNPBCYDEOU-UHFFFAOYSA-N 324.362 -0.063 30 20 DBED NS(=O)(=O)CCNN=Cc1ccccc1OCC(=O)O 1776046737 FMWDKNASZDALGR-UHFFFAOYSA-N 301.324 -0.638 30 20 DBED C#CCCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)NC=O)C2)C1 1781253093 RAWJEPPLWZRPCJ-CJNGLKHVSA-N 321.377 -0.636 30 20 DBED COC(=O)NCC(=O)N1CCCC12CN(C(=O)[C@@H](C)S)C2 1846512824 AFCQTUBQVICRHL-SECBINFHSA-N 315.395 -0.136 30 20 DBED N#Cc1ccc(N2CCN(CCN3C(=O)CNC3=O)CC2)nc1 60480649 MTOIOJCBPHWHGO-UHFFFAOYSA-N 314.349 -0.373 30 20 DBED N#Cc1ccc(S(=O)(=O)CCS(=O)(=O)CC(=O)O)cc1 163195307 IKTUVLFGOKSBFL-UHFFFAOYSA-N 317.344 -0.169 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H](C(=O)O)C2)C1=O 262695841 XLUIPFLPCUSURQ-VIFPVBQESA-N 323.305 -0.714 30 20 DBED C=CCCO[C@H](C)C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)OC 273943628 DHRXDRUMYOIVHC-GHMZBOCLSA-N 319.379 -0.234 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@H](C)[C@@H]2CO)C1=O 275942535 CFEBRRDRXXVGKU-UWVGGRQHSA-N 309.322 -0.808 30 20 DBED C=CCN1CC[C@@H](N(C)CC(=O)NCC(=O)N2CCCC2)C1=O 281384399 PKMHTPAASDBCIE-CYBMUJFWSA-N 322.409 -0.556 30 20 DBED COC(=O)C[C@@H]1C(=O)NCCN1C(=O)Cc1ccc(C#N)cc1 299601840 NWCHANWYAFCWIU-CYBMUJFWSA-N 315.329 -0.009 30 20 DBED CN(/C(N)=N/CCS(=O)(=O)NC[C@@H]1CCCCO1)C1CC1 305836300 WYADTKWUILVTPC-LBPRGKRZSA-N 318.443 -0.116 30 20 DBED CC(C)N1C[C@@H](/N=C(/O)N[C@@H]2CS(=O)(=O)C[C@@H]2C)CC1=O 329557234 BXVHIHGJZXANNC-GARJFASQSA-N 317.411 -0.068 30 20 DBED Cc1cc(CN2CCN(/C(O)=N/Cc3nnn(C)n3)CC2)on1 330220098 KQKZEEKUMRXAGS-UHFFFAOYSA-N 320.357 -0.262 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1CC[C@H]([C@H](C)O)C1 330369367 BPYWUZSVDFTBLQ-RYUDHWBXSA-N 305.400 -0.204 30 20 DBED C=C(C)COCCNC(=O)C1CCN(S(N)(=O)=O)CC1 331056754 LMKANDDGYUBMPW-UHFFFAOYSA-N 305.400 -0.389 30 20 DBED CCNC(=O)[C@@H](C)NS(=O)(=O)N(CCC#N)CCOC 336915555 MLDBTBKDCMZVEZ-SNVBAGLBSA-N 306.388 -0.793 30 20 DBED CC(C)(C)C[C@@H](O)CNS(=O)(=O)N1CCO[C@@H](C#N)C1 337099651 UPHFNNLCAVBBMU-MNOVXSKESA-N 305.400 -0.158 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)NCC(=O)NCC(F)F 337161617 UTJRDCWFCYLLSK-MRVPVSSYSA-N 312.342 -0.316 30 20 DBED C[C@@H]1CN(CCCNC(=O)NCC(=O)NCC#N)C[C@@H](C)O1 343885214 AUEYMUWNGDOVBT-VXGBXAGGSA-N 311.386 -0.575 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N[C@H]1CCC[C@H]1C(=O)NC 345578534 DOQTZDIZBBRYEG-NEPJUHHUSA-N 311.382 -0.322 30 20 DBED CC1(C)C[C@]1(C#N)NS(=O)(=O)CCCCS(N)(=O)=O 349603982 PDTONHKCWOCVBH-SNVBAGLBSA-N 309.413 -0.333 30 20 DBED N#Cc1ccc(C(=O)CNC(=O)[C@H]2CC[C@H](C(N)=O)O2)cc1 356184310 IKQXRDHCRVMFJN-CHWSQXEVSA-N 301.302 -0.110 30 20 DBED C=CCN(CC=C)C(=O)[C@@H](C)N1CC[C@H](S(N)(=O)=O)C1 357387220 FPBIZFBCCXKJJQ-NEPJUHHUSA-N 301.412 -0.062 30 20 DBED C=CCNc1nnc(S(=O)(=O)[C@@H](C)C(=O)NC2CC2)s1 358745149 WRCCIGCWMUIEGG-ZETCQYMHSA-N 316.408 0.577 30 20 DBED N#CCc1ccc(S(=O)(=O)N2CC[C@@](O)(C(=O)O)C2)cc1 386481062 QKRAOIJEVPXVOF-ZDUSSCGKSA-N 310.331 -0.037 30 20 DBED N#Cc1ccccc1OC[C@@H](O)CN1CCN(CCO)CC1 386977956 YWQCAAQZLHBWID-HNNXBMFYSA-N 305.378 -0.092 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCCNCCC)C1=O 419912862 XPVNYRIGYBXMNX-LBPRGKRZSA-N 310.398 -0.653 30 20 DBED C=CCS(=O)(=O)N(C)CC(=O)N1CCC[C@H](C(N)=O)C1 435670941 IDWILZWBMFVSLK-JTQLQIEISA-N 303.384 -0.842 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(C)C2(CN)CCC2)C1=O 449677974 ORSPIJLYFFTTBZ-UHFFFAOYSA-N 308.338 -0.697 30 20 DBED C#CCNC(=O)CN1CCCN(S(=O)(=O)C2(C)CC2)CC1 491326257 LKNKYBRLNJSTKV-UHFFFAOYSA-N 313.423 -0.374 30 20 DBED N#Cc1ccc(S(=O)(=O)N[C@H](C(=O)O)[C@H]2CCOC2)cn1 548199194 KNVWESOVZSDDLP-KWQFWETISA-N 311.319 -0.279 30 20 DBED CN(C[C@H](O)CNc1cc(C#N)ncn1)c1cc(C#N)ncn1 555724139 ITHAPYBCDZSNAJ-GFCCVEGCSA-N 310.321 -0.081 30 20 DBED COC(=O)c1ccc(NCCN2C(=O)CNC2=O)c(C#N)n1 577004366 GXYMJUPUXCSXBH-UHFFFAOYSA-N 303.278 -0.296 30 20 DBED N#Cc1ncn(CCNC(=O)NC[C@@H](CO)Cc2ccco2)n1 581685983 WZTTXDDBUUIJNV-NSHDSACASA-N 318.337 -0.107 30 20 DBED N#Cc1ncn(CCNC(=O)[C@H]2CCCN2c2ncccn2)n1 588019633 FVIOOLDADAWQII-LLVKDONJSA-N 312.337 -0.275 30 20 DBED CCN(CCC#N)S(=O)(=O)N1C[C@@H]2COC[C@]2(C(=O)O)C1 594689074 BEKIZCNETKZDQU-ZYHUDNBSSA-N 317.367 -0.500 30 20 DBED C[C@@H](C#N)CN(C)C(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)O)C1 595990302 PQKVFRCYKULBJN-IMSIIYSGSA-N 309.322 -0.836 30 20 DBED Cc1cc(NC(=O)NCCN2CC[C@H](O)C2)nn1CCC#N 599764835 KJBLYUVCCLCALH-LBPRGKRZSA-N 306.370 0.293 30 20 DBED COC(=O)C[C@H]1CN(C(=O)NC2CCN(CC#N)CC2)CCO1 610642094 STCBRJGUYOHTAC-ZDUSSCGKSA-N 324.381 -0.052 30 20 DBED C=C[C@H](O)C(=O)N(CCCN(C)C)[C@H]1CCS(=O)(=O)C1 612055940 FCUBLSNEIJKRAC-RYUDHWBXSA-N 304.412 -0.499 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(C)C[C@H]2C[C@@H](O)C2)C1=O 629260425 ZLSKQJMEHNAWQE-AOOOYVTPSA-N 309.322 -0.808 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CC23CCNCC3)C1=O 644144325 PWJFYCPJYUHVOL-SNVBAGLBSA-N 320.349 -0.779 30 20 DBED N#Cc1cccc(OCC(=O)N2CC[C@H](S(N)(=O)=O)C2)c1 732664189 KBFPUOICTDAFQJ-LBPRGKRZSA-N 309.347 -0.174 30 20 DBED C#CCOc1ccc(NC(=O)C(=O)N[C@H](C)C(=O)NC)cc1 752139288 VUJKFLQWVVABBS-SNVBAGLBSA-N 303.318 -0.112 30 20 DBED C[C@@H]1CN(c2cccc(S(N)(=O)=O)c2C#N)C[C@H](CO)O1 755032101 QVGQIMZZKVXDJA-NXEZZACHSA-N 311.363 -0.208 30 20 DBED C#C[C@@H](NCC(=O)NCC(C)(C)N1CCOCC1)[C@@H]1CCCO1 775791773 WQVFYZPSAQCZCD-CABCVRRESA-N 323.437 -0.016 30 20 DBED C#C[C@@H](NC(=O)NCCC(=O)N1CCN(C)CC1)[C@@H]1CCCO1 776115340 OZLKRGXUIQTMTJ-KGLIPLIRSA-N 322.409 -0.370 30 20 DBED C#C[C@H](NC(=O)N1CCO[C@@H](CNC(C)=O)C1)[C@@H]1CCCO1 776231067 NOOKICZJPMJXTH-IHRRRGAJSA-N 309.366 -0.286 30 20 DBED CC(=NNC1=NC(=O)C(=O)N1)c1ccc(-c2nn[nH]n2)c(F)c1 823953768 POXIDKPOTGCTGO-UHFFFAOYSA-N 316.256 -0.668 30 20 DBED C#CC1CCN(C(=O)CN2CCN(S(C)(=O)=O)CC2)CC1 844045332 IHKLIOHIJVCWTR-UHFFFAOYSA-N 313.423 -0.565 30 20 DBED C#CC[C@@H](CCOC)NC(=O)N1CCN(CC(=O)N(C)C)CC1 875917202 BCXVIWMWBRMOOM-AWEZNQCLSA-N 324.425 -0.170 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NN1C(=O)[C@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C1=O 913768148 XEUZBFJWDNYOIL-QFHDERPTSA-N 318.329 -0.063 30 20 DBED C=C(C)CNC(=S)N1CCN(C(=O)Cn2cnnn2)CC1 916011196 WWZNWCSPJHRIQJ-UHFFFAOYSA-N 309.399 -0.732 30 20 DBED O=C(NCC#CCO)N1CCN(C(=O)c2ccccn2)CC1 923785292 SQQPNDOKJDCKFH-UHFFFAOYSA-N 302.334 -0.455 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](NC(=O)C2CCN(C(N)=O)CC2)C1 940367258 VSMMKNKYHISBPE-ZYHUDNBSSA-N 321.381 -0.346 30 20 DBED CN1C[C@H](C(=O)N[C@@H]2CCN(C(=O)C#CC3CC3)C2)CC1=O 940940776 QXLPCZYDYUIXJO-CHWSQXEVSA-N 303.362 -0.405 30 20 DBED CO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1NC(=O)c1cnc(C)n1C 945986424 MBDLCPQUAMOFSH-IRUJWGPZSA-N 319.365 -0.156 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@@H]3CCN(C(=O)C(N)=O)C[C@H]32)[nH]1 953450430 TUMKUQNJXVRSER-JOYOIKCWSA-N 315.333 -0.565 30 20 DBED C[C@H](C#N)C(=O)N1CC(N(C)C(=O)[C@@H]2CCCC(=O)N2C)C1 955009127 YDFWSCJEWKXRBB-PWSUYJOCSA-N 306.366 -0.174 30 20 DBED C=C[C@@](C)(CC)C(=O)N1CC(N(C)C(=O)[C@@H]2CNC(=O)N2)C1 955151099 HITXZUWKMZPCME-NHYWBVRUSA-N 308.382 -0.061 30 20 DBED C#CCCN1C[C@@H](O)[C@H](CNC(=O)c2cn(C)nc2OC)C1 958309310 JTUVSDTUMIQTSO-DGCLKSJQSA-N 306.366 -0.526 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](CNC(=O)c2c[nH]c(=O)cn2)C1 958350413 PWXANSWOHWYKPE-KOLCDFICSA-N 312.757 -0.455 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2cnn(CCN(C)C)c2)C1 958468063 RCODHJRXCYHGQN-UKRRQHHQSA-N 319.409 -0.900 30 20 DBED CC#CCN1C[C@H](CNC(=O)c2nn(CC)nc2C)[C@@H](O)C1 958744646 RVTYPRJEFOAEFJ-STQMWFEESA-N 305.382 -0.348 30 20 DBED O=C(NC[C@H]1COCCN1C(=O)C#CC1CC1)c1cccnn1 964313229 IISYHJSKAHEZLB-ZDUSSCGKSA-N 314.345 -0.153 30 20 DBED N#Cc1cc(C(=O)NC[C@H]2CCCCN2C(=O)CC(N)=O)c[nH]1 964451621 LPOHALOYAIDXQD-GFCCVEGCSA-N 317.349 -0.127 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CN(C(=O)[C@H]3CCOC3)CCO2)C1 965321671 RKWMHBMOMCAQEK-NEPJUHHUSA-N 307.350 -0.378 30 20 DBED C[C@H]1CN(C(=O)c2cnn[nH]2)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 966569380 FCCIWUPXOFPCFI-QPUJVOFHSA-N 313.321 -0.105 30 20 DBED C[C@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)[C@H]1CCN(C)C1=O)C2 969816602 DJHXFTBGKXGJSY-VOAKCMCISA-N 318.377 -0.174 30 20 DBED C#CCCN1C[C@H]2CC[C@H]1CN2C(=O)CN1C(=O)CNC1=O 972087538 AIESCHJZDXEPNU-NWDGAFQWSA-N 304.350 -0.763 30 20 DBED NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCCN2C(=O)C#CC2CC2)C1 973740337 RRSYJKUXHFBSRJ-QWHCGFSZSA-N 303.362 -0.275 30 20 DBED COCCn1ccc(C(=O)NC[C@H]2[C@@H]3CN(CC#N)C[C@H]23)n1 978489447 SGXYKRUWOXUWKX-XYYAHUGASA-N 303.366 -0.039 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCCN(CC(=O)NC)CC1 981361508 QMOLMDISCNDEKZ-AWEZNQCLSA-N 306.410 -0.636 30 20 DBED C=C(C)CN[C@@H]1CCN(C(=O)CN2CCN(C)C(=O)C2)[C@H]1C 986443157 YSVZSZDXZRZUMX-UONOGXRCSA-N 308.426 -0.085 30 20 DBED C[C@@H]1C[C@@H](NCC(=O)N2CCOCC2)CN1C(=O)C#CC1CC1 988824615 IOAUSUQFQTYTJH-UKRRQHHQSA-N 319.405 -0.162 30 20 DBED CN1CC[C@H](C(=O)N2CC(NC(=O)c3ccc(C#N)[nH]3)C2)C1 990893207 RHQGIYJXZKYFPL-JTQLQIEISA-N 301.350 -0.221 30 20 DBED Cn1oc(C(=O)NC2CN(C(=O)c3ccc(C#N)[nH]3)C2)cc1=O 991040083 QOLLDPZIAMPEEM-UHFFFAOYSA-N 315.289 -0.568 30 20 DBED N#CCN1CCC(NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)CC1 1002811498 OMWJFTDUMHNVHR-LLVKDONJSA-N 316.365 -0.133 30 20 DBED Cn1ncc(C(=O)N2CCN(C(=O)c3ccc(C#N)[nH]3)CC2)n1 1011017219 YXUHIOSDWYLOJJ-UHFFFAOYSA-N 313.321 -0.387 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C(=O)[C@]2(C)CCC(=O)NC2)CC1 1012108609 ZUVSUNJKROZNQF-IAQYHMDHSA-N 306.366 -0.267 30 20 DBED C#CCCN1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CCN(C)C(=O)C1 1017690084 KKBXAHSTNIJNKB-GASCZTMLSA-N 318.421 -0.541 30 20 DBED C[C@H]1[C@@H](NC(=O)c2c[nH]c(C(N)=O)c2)CCN1C(=O)[C@H](C)C#N 1020535164 AURIGHVHXHLBQD-YWVKMMECSA-N 317.349 -0.008 30 20 DBED N#CCN1CC[C@@H]2[C@H](CCCN2C(=O)CN2CC(=O)NC2=O)C1 1021687348 HSCZNKRCDIAGNQ-VXGBXAGGSA-N 319.365 -0.625 30 20 DBED CC(=O)N1CCOC[C@H]1C(=O)NC[C@@H]1CCCCN1CC#N 1024807845 XLKPTNRVMMRKEM-KBPBESRZSA-N 308.382 -0.272 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)[C@@H]1CCC(=O)N1 1026624236 UIOLENLRNKYRCL-KGYLQXTDSA-N 303.362 -0.359 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2C[C@H](O)CN1CCCC1=O 1032318156 HTSFIFNACFKLDY-XDQVBPFNSA-N 320.393 -0.586 30 20 DBED C#CCN[C@H]1CC[C@H](NC(=O)[C@@H]2COCCN2C(C)=O)CC1 1034796945 KSLVTNLBPTWDJO-KKUMJFAQSA-N 307.394 -0.116 30 20 DBED COc1cc(OC)nc(C(=O)NC[C@H]2CN(CC#N)CCO2)n1 1035414590 RVRBOYDZQPOWHM-JTQLQIEISA-N 321.337 -0.552 30 20 DBED CC#CCN1CCO[C@H](CNC(=O)[C@@H]2CCN(C)C(=O)C2)C1 1035421411 ZOCTWHIONHGURX-ZIAGYGMSSA-N 307.394 -0.305 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)c2cccn3c(O)nnc23)C1 1035571958 NCENRBGRFZXWOY-NSHDSACASA-N 315.333 -0.501 30 20 DBED C#CCN[C@@H]1CCN(C(=O)CN2C(=O)NC(C)(C)C2=O)C[C@@H]1C 1036282876 RXJWYXKJSRRUII-NWDGAFQWSA-N 320.393 -0.223 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)c3cscn3)C2)nn1 1040943424 ATFNOXMWYQAOEQ-MWLCHTKSSA-N 316.346 -0.216 30 20 DBED N#Cc1cccnc1N1C[C@@H](O)[C@H](NC(=O)Cn2ccnc2)C1 1041081286 ONPUXDJXNHGXGQ-CHWSQXEVSA-N 312.333 -0.484 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)c2c(C)cnn2C)C1 1042043331 LWGVWUNACOJHKC-UHFFFAOYSA-N 322.365 -0.766 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)[C@H]2OCC[C@H]2C)C1 1042052944 XFRWYNYZWSRJMV-YPMHNXCESA-N 312.366 -0.697 30 20 DBED C=CCN1CC[C@@H]2CCN(C(=O)CN3CCN(C)C(=O)C3)C[C@H]21 1042122912 PDLFOMOVNDQJNU-HUUCEWRRSA-N 320.437 -0.131 30 20 DBED C=C(C)CCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCNC(=O)C2)C1 1042521897 LXOKIIBFKDTWOE-GFCCVEGCSA-N 323.393 -0.442 30 20 DBED C#CCCCCC(=O)NCC1(O)CN(C(=O)Cn2cccn2)C1 1042658635 MPZPLFRWDBMVKN-UHFFFAOYSA-N 318.377 -0.234 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)c2cncnc2)C1 1042710331 SVOMWEUSSPWKBU-UHFFFAOYSA-N 302.334 -0.417 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)C2=COCCC2)C1 1043040613 VAWMGIFXJCMBER-LBPRGKRZSA-N 322.361 -0.592 30 20 DBED COCCn1cc(C(=O)N(C)C2CN(CC#N)C2)ccc1=O 1043210170 HUTMLUFZDBQMCV-UHFFFAOYSA-N 304.350 -0.226 30 20 DBED COCCn1nc(C(=O)N(C)C2CN(CC#N)C2)ccc1=O 1043274082 BXDLYCKRBAFOSS-UHFFFAOYSA-N 305.338 -0.831 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)[C@H](C)OCC=C)C1 1043574593 GMDIUTZFDGELBS-STQMWFEESA-N 324.377 -0.695 30 20 DBED CC#CCN1CC(N(C)C(=O)C2(n3cnnn3)CCOCC2)C1 1044030498 HAURKTPBCCBSNN-UHFFFAOYSA-N 318.381 -0.655 30 20 DBED CN(C(=O)[C@@H]1CCCc2nn[nH]c21)[C@H]1CN(CC#N)C[C@@H]1O 1047505813 XTYNEWBRSFTFHI-USWWRNFRSA-N 304.354 -0.748 30 20 DBED C=C[C@@](C)(O)CC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2C[C@H]2C)C[C@@H]1O 1048761893 JQGGKUPUQKIUJN-XRMRDTNMSA-N 310.394 0.000 30 20 DBED CC(C)C#CC(=O)N(C)[C@H]1CN(C(=O)Cc2nc[nH]n2)C[C@@H]1O 1048813683 IDGSEOWZRWOBTA-RYUDHWBXSA-N 319.365 -0.963 30 20 DBED CN(C(=O)C#CC1CC1)[C@H]1CN(C(=O)CC(C)(C)O)C[C@@H]1O 1048821462 OCSYBBWIIGZPHM-STQMWFEESA-N 308.378 -0.409 30 20 DBED C#CCOCCC(=O)N(C)[C@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1O 1048844133 DOEFZFGSRFEZPR-AVGNSLFASA-N 307.350 -0.784 30 20 DBED C=C(Cl)CN1CCOC[C@H]1CNC(=O)c1nnn(C)n1 1051071907 XDOWEBSOQUQDGB-SECBINFHSA-N 300.750 -0.607 30 20 DBED CN1CCCC[C@H](C(=O)NC[C@@H]2COCCN2CC#N)C1=O 1051209755 MQPCKDHSPIVZCQ-CHWSQXEVSA-N 308.382 -0.415 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H]1CN(C(=O)CCOC)C[C@H]1C 1051720478 HXYWXZLXPAOTQE-CHWSQXEVSA-N 323.393 -0.627 30 20 DBED N#Cc1ccc(N2CC[C@H](NC(=O)c3cnco3)[C@H](O)C2)nn1 1051755337 SJRPLGODCPUTAN-WDEREUQCSA-N 314.305 -0.294 30 20 DBED N#CCN1CCN([C@@H]2CCN(C(=O)CN3CCCC3)C2)CC1 1052118197 NWGOJCJFZGLEQF-OAHLLOKOSA-N 305.426 -0.176 30 20 DBED C#CCN1CCN([C@H]2CCN(C(=O)Cn3ccnc3)C2)CC1 1052123712 NPSPOPKOEJCJBY-HNNXBMFYSA-N 301.394 -0.265 30 20 DBED C=CCN1CC2(C1)CN(C(=O)[C@@H]1CC(=O)N(CC)C1)CCO2 1053279166 GQXRAIMWVLLAIL-CYBMUJFWSA-N 307.394 -0.046 30 20 DBED CC#CCN1CC2(CC[C@@H](CNC(=O)[C@@H]3CN(C)C(=O)N3)O2)C1 1053642957 QAWRRHLGNNKNLH-STQMWFEESA-N 320.393 -0.617 30 20 DBED C=CCN1CC2(C[C@H](NC(=O)CN3CCCNC3=O)CO2)C1 1053857285 ALEZRLXVCABPSN-LBPRGKRZSA-N 308.382 -0.453 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)[C@H]3CCCN(C(N)=O)C3)CO2)C1 1053864500 CFGMWNCXXCUDQV-QWHCGFSZSA-N 320.393 -0.630 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2CN(C(=O)[C@@H](C)OC)C[C@@H]2C1 1055205384 QWGFXGNEWWIARP-RQJABVFESA-N 308.378 -0.024 30 20 DBED C#CCOCCC(=O)N1C[C@H]2CN(C(=O)[C@H](O)C(C)C)C[C@H]2C1 1055317411 OCQPEOWWKRXCAS-IJEWVQPXSA-N 322.405 -0.040 30 20 DBED C[C@@H](C#N)C(=O)NCCN1CCC(NC(=O)c2cn[nH]c2)CC1 1055629663 GVHFUMHCZLPZSP-NSHDSACASA-N 318.381 -0.120 30 20 DBED C[C@H](C(=O)NC1[C@@H]2CN(c3ccc(C#N)nn3)C[C@@H]12)n1cncn1 1056167636 CWNIPUBQPDTPRP-YUSALJHKSA-N 324.348 -0.248 30 20 DBED N#Cc1nccnc1N1C[C@H]2[C@H](NC(=O)[C@@H]3COC(=O)N3)[C@H]2C1 1056196073 YUOWJTURXAUXHU-GISOBZBCSA-N 314.305 -0.993 30 20 DBED C=C[C@H](C)[C@H](C)C(=O)NCCN(CCO)C(=O)CNC(C)=O 1056817303 MOYKHMNLFYIWHL-RYUDHWBXSA-N 313.398 -0.482 30 20 DBED C=C(C)CCC(=O)NCCN(CCO)C(=O)CS(C)(=O)=O 1057125480 PHXSFLFAYVHBLN-UHFFFAOYSA-N 320.411 -0.676 30 20 DBED C=CCCCC(=O)NCCN(CCO)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1057544540 HAUHOJKTJQAGNS-VXGBXAGGSA-N 313.354 -0.055 30 20 DBED Cn1cnc(C(=O)NC2CCN(c3cncc(C#N)n3)CC2)n1 1057865830 CGPQNDCKDIEYQZ-UHFFFAOYSA-N 312.337 -0.124 30 20 DBED CCOc1cc(C(=O)N(CCO)CCNC(=O)[C@H](C)C#N)[nH]n1 1057932251 RDIVXSPEBBABNO-SNVBAGLBSA-N 323.353 -0.481 30 20 DBED Cn1nnc(C(=O)N[C@H]2CCCN(c3ccc(C#N)nn3)C2)n1 1058219490 VFAPTPVVUFUNKO-JTQLQIEISA-N 313.325 -0.729 30 20 DBED C[C@@]1(C(=O)N2CC[C@H](N=c3cc[nH]c(C#N)n3)C2)CNC(=O)C1 1059007935 VDROZHXDIRVODK-BONVTDFDSA-N 314.349 -0.691 30 20 DBED C=CCOCC(=O)NCC[C@H]1CCN(C(=O)Cc2nc[nH]n2)C1 1060428143 BRTBIMKXOFTFRH-LBPRGKRZSA-N 321.381 -0.095 30 20 DBED N#Cc1ccc(N2CCC[C@@H]2CNC(=O)[C@H]2CNC(=O)N2)nc1 1061441515 XHRSUMUZGFRQQJ-VXGBXAGGSA-N 314.349 -0.280 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1COCCN1C(=O)Cc1nc[nH]n1 1061572247 RJNZIBOKCYURTN-GFCCVEGCSA-N 317.349 -0.896 30 20 DBED Cc1c[nH]c(C(=O)N2CCOC[C@@H]2CNC(=O)[C@@H](C)C#N)n1 1061852639 KXSYZKBOHBQDEQ-ONGXEEELSA-N 305.338 -0.165 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(NC(=O)CNC(C)=O)CCC1 1063041878 HAKPNZBOEBNOFY-LLVKDONJSA-N 309.366 -0.684 30 20 DBED N#Cc1ccc(N2CC[C@H]3CCN(C(=O)C(N)=O)C[C@H]32)nn1 1064699184 OWDCCDWFPRZCKN-MWLCHTKSSA-N 300.322 -0.739 30 20 DBED N#Cc1ccc(NC[C@@H]2CCCN2C(=O)Cn2cnnn2)nn1 1064856096 PNFWFKDPLRPHAQ-NSHDSACASA-N 313.325 -0.562 30 20 DBED CCn1nncc1C(=O)N1CCO[C@H](CNC(=O)[C@H](C)C#N)C1 1065117411 NXBBUYDWPUZGSM-GHMZBOCLSA-N 320.353 -0.585 30 20 DBED C[C@@]1(NC(=O)[C@@H]2CNC(=O)N2)CCN(c2ccc(C#N)cn2)C1 1065327071 UCUMVPNTDSOXOC-XHDPSFHLSA-N 314.349 -0.280 30 20 DBED Cc1cc(=N[C@H](C)[C@@H]2CCN(C(=O)C(N)=O)C2)c(C#N)c[nH]1 1065766660 MKJAGQZOENBURD-GHMZBOCLSA-N 301.350 -0.182 30 20 DBED C[C@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1Nc1ccc(C#N)nn1 1067149764 WYGOWPRCOVNDIL-ONGXEEELSA-N 313.325 -0.706 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@@H](CNC(=O)c3ncccn3)C2)nc1 1067677528 GALMARIGFBFUQK-QWHCGFSZSA-N 324.344 -0.030 30 20 DBED Cc1ccc(C#N)c(N[C@H](C)[C@@H]2CN(C(=O)C(N)=O)CCO2)n1 1068243713 MXIXSQXPNYNUCY-PWSUYJOCSA-N 317.349 -0.225 30 20 DBED C#CCN1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CCC(=O)N2)C1 1070400976 HHZPWKQGQOTXML-DGCLKSJQSA-N 315.377 -0.273 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCCN(C(=O)c2cnn[nH]2)C1 1070962392 FKYFIORDUBLLRJ-LLVKDONJSA-N 305.338 -0.435 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(C(=O)CC2CC2)C[C@H]1C 1071450148 ZMSCLIJILCSZKM-DGCLKSJQSA-N 305.378 -0.111 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H](C)[C@@H](NC(=O)c2ccco2)C1 1071922073 OPVNTVNQDAZTSJ-RYUDHWBXSA-N 317.345 -0.004 30 20 DBED CC(C)C#CC(=O)N[C@H]1CN(C(=O)CCNC(N)=O)C[C@@H]1C 1072067142 RPUCOLHRZBUFKQ-RYUDHWBXSA-N 308.382 -0.333 30 20 DBED C#CCCN1C[C@@H](NC(=O)c2cn(CC(N)=O)nn2)CC[C@H]1C 1072099347 PRIWSTBXFJVXOQ-NEPJUHHUSA-N 318.381 -0.631 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(C(=O)CNC(=O)NC)C[C@H]1C 1072268740 RLOAUGRXPKLAQL-VXGBXAGGSA-N 308.382 -0.318 30 20 DBED C#CCN1CCC2(C1)CN(C(=O)c1cc(C(N)=O)cn1C)C2 1072896777 GYDVYFUVVYDRPZ-UHFFFAOYSA-N 300.362 -0.095 30 20 DBED C#CCCN1CCCO[C@H](CNC(=O)[C@H]2COCCN2C)C1 1073578232 HFQQQLJHOCMIIU-HUUCEWRRSA-N 309.410 -0.453 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H](N[C@H](CC)C(N)=O)[C@@H]2C)nn1 1074949521 DKEKUJQYCHPFID-TUAOUCFPSA-N 320.397 -0.079 30 20 DBED N#CCN[C@H]1CCCO[C@@H]1C1CCN(C(=O)CC(N)=O)CC1 1075407214 XPKUQPRBUBVLNQ-SWLSCSKDSA-N 308.382 -0.239 30 20 DBED CC(=O)N[C@H](C)C(=O)NCC[C@H](C)NC(=O)CSCC#N 1075506820 BBHWOGGDBGGPIX-VHSXEESVSA-N 314.411 -0.221 30 20 DBED C=CCOCC(=O)N[C@@H](C)CCNC(=O)[C@@H]1COCCO1 1075698392 YKTQMBUTVPJTGW-RYUDHWBXSA-N 300.355 -0.385 30 20 DBED C#CCN1C[C@@H]2CCN(C(=O)c3cn(CCOC)nn3)[C@@H]2C1 1075783677 INJCJQZATQPGFI-GXTWGEPZSA-N 303.366 -0.296 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC(=O)N(C(C)C)C2)C1 1077083998 LAKDDGPFUXZHCL-MGPQQGTHSA-N 307.394 -0.572 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCS(=O)(=O)C2)C1 1077330602 OULBTAMIHWUQMF-YNEHKIRRSA-N 316.423 -0.451 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2cn(CCC(C)C)nn2)C1 1077665978 WJSXEMYRJRXVAE-TZMCWYRMSA-N 305.382 -0.268 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)c2cn(C)c(=O)n2C)C1 1078240819 JMQWFCFRYQUNRV-DGCLKSJQSA-N 308.382 -0.535 30 20 DBED CN1CC[C@@H](NC[C@H]2CN(C(=O)C#CC3CC3)CCCO2)C1=O 1078398803 UFCNGCIWRBBHDF-LSDHHAIUSA-N 319.405 -0.162 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC[C@@H](N(C)C(=O)CC(N)=O)CC1 1078896920 WEGAGEUTMQCHFX-CHWSQXEVSA-N 323.393 -0.260 30 20 DBED C#CCOCCC(=O)N1CC(N(CC)C(=O)Cn2cccn2)C1 1079305771 OOEUWORCLQDUBO-UHFFFAOYSA-N 318.377 -0.018 30 20 DBED CCN(C(=O)Cn1cnnc1O)C1CN(C(=O)[C@H](C)C#N)C1 1079648961 QNTJDLVPKVKYDE-SECBINFHSA-N 306.326 -0.797 30 20 DBED C#CCNC(=O)CC(=O)N1CC(N(CC)C(=O)CC(C)(C)O)C1 1079696194 IDAHQAHJWNRSDP-UHFFFAOYSA-N 323.393 -0.654 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)c2cnnn2C)C[C@@H]1O 1081334633 AMHDZGFVNWZCDP-PWSUYJOCSA-N 307.354 -0.670 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)c2cc(=O)n(C)o2)C[C@@H]1O 1081336528 ZRJSODWBXMEEBR-MNOVXSKESA-N 323.349 -0.506 30 20 DBED C=CCCOCC(=O)NC[C@@H]1CN(C(=O)C(F)F)C[C@H]1O 1081570233 ZRPHUUSGYQQCMJ-NXEZZACHSA-N 306.309 -0.220 30 20 DBED C=C(C)CCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cnn(C)n2)C1 1081599192 ZGERZTLPTNSAQD-YPMHNXCESA-N 321.381 -0.280 30 20 DBED C[C@H]1CC(=O)N[C@@H](C(=O)N2CCO[C@@H]3CN(CC#N)C[C@@H]32)C1 1083084926 NGQCIIILKJGNQF-FVCCEPFGSA-N 306.366 -0.664 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1083663427 QWHKIZMBZUSTIO-SBJFKYEJSA-N 310.394 -0.225 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)C[C@@H]2CCCCN2C(C)=O)C1 1083854614 BJJDZEDYVUPILI-ZNMIVQPWSA-N 307.394 -0.428 30 20 DBED CC(=O)N(C)c1ccc(C(=O)N[C@@H]2CN(CC#N)C[C@@H]2O)cc1 1084104249 OWKJJVGXQOSLSJ-CABCVRRESA-N 316.361 -0.032 30 20 DBED C#CCN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCN(C)S1(=O)=O 1085360096 OIPVQCYKBRWODB-UPJWGTAASA-N 313.423 -0.330 30 20 DBED C#CCN1CC[C@H]1CN(C)C(=O)c1ccc(S(N)(=O)=O)o1 1085696737 RXNDYGQOQQDUBD-JTQLQIEISA-N 311.363 -0.294 30 20 DBED C=CCCn1cc(C(=O)N(C)C[C@H]2CCN2[C@H](C)C(N)=O)nn1 1085863765 JCCVXXFBGZQHSY-VXGBXAGGSA-N 320.397 -0.126 30 20 DBED CN(C[C@H]1CCN1CC#N)C(=O)[C@H]1CCN(C)S1(=O)=O 1085868550 STYFJXXGZMBVCQ-GHMZBOCLSA-N 300.384 -0.923 30 20 DBED CN(C[C@H]1CCN1CC#N)C(=O)C1CC2(C1)NC(=O)NC2=O 1085868560 SYKMJGDNIXBVOH-OPASDULOSA-N 305.338 -0.969 30 20 DBED Cn1cc([C@@H]2CN(C(=O)c3csnn3)C[C@H]2NCC#N)cn1 1086989582 IGZDXQJBGQEACE-WDEREUQCSA-N 317.378 -0.007 30 20 DBED COC(=O)NCC(=O)N1CC[C@H](N=c2cc[nH]c(C#N)n2)[C@@H]1C 1090206095 BWAKIWHADUSXMM-UWVGGRQHSA-N 318.337 -0.473 30 20 DBED N#CCN1CC[C@@H](NC(=O)CN2CCCCCCC2=O)[C@@H](O)C1 1090311741 XSYVGPBFMFAOLY-KGLIPLIRSA-N 322.409 -0.146 30 20 DBED C=CCN1CC[C@@H](NC(=O)Cc2ccc(C(N)=O)nc2)[C@H](O)C1 1090360166 JPXGYMLXZWRTIG-TZMCWYRMSA-N 318.377 -0.540 30 20 DBED Cc1cc(C#N)nc(N2C[C@@H](O)[C@H](NC(=O)COC(C)C)C2)n1 1090380107 ZKNBUTOFVKTUCX-CHWSQXEVSA-N 319.365 -0.253 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(c2nccc(OC)n2)C[C@H]1O 1090392108 PGDUCXRIRAAYLQ-GHMZBOCLSA-N 308.338 -0.647 30 20 DBED CC(=O)NCC(=O)NCC1CC(N=c2cc[nH]c(C#N)n2)C1 1092186665 XOZYVTMTCFKHBU-UHFFFAOYSA-N 302.338 -0.787 30 20 DBED CC#CCN1C[C@@H]2CN(C(=O)C[C@@H]3CC(=O)NC3=O)C[C@]2(C)C1 1092330553 IKAVMMCTLSJOPO-AHIWAGSCSA-N 317.389 -0.157 30 20 DBED C#CCCN1CCN(C(=O)C(C)(F)F)[C@@H]2CS(=O)(=O)C[C@@H]21 1094597967 AEJUKHMCGNCYGZ-WDEREUQCSA-N 320.361 -0.025 30 20 DBED CCN(CCCNC(=O)Cn1cncn1)c1cnc(C#N)cn1 1095883690 WLVLPGWYVXITGX-UHFFFAOYSA-N 314.353 -0.027 30 20 DBED C[C@H](CNC(=O)[C@@H]1CCS(=O)(=O)C1)Nc1cncc(C#N)n1 1098136521 IGZXOTKRSDJEQO-NXEZZACHSA-N 323.378 -0.300 30 20 DBED C[C@@H]1CN(C)C[C@@H]1C(=O)N1CCC(N(CC#N)CCO)CC1 1098479280 ZKEQWHYPKKXCDC-HIFRSBDPSA-N 308.426 -0.007 30 20 DBED C=CCN(CCO)C1CCN(C(=O)C[C@H]2CC(=O)NC2=O)CC1 1098588540 MLTAPYFVHHYYAM-GFCCVEGCSA-N 323.393 -0.490 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2cnns2)[C@@H](O)C1 1099696267 WGAYUXNIECTMMP-QWRGUYRKSA-N 310.379 -0.647 30 20 DBED C[C@@H](CCNC(=O)[C@@H]1CCC(=O)NC1)N=c1cc[nH]c(C#N)n1 1099775601 WHMPUTISVQLMOW-WDEREUQCSA-N 316.365 -0.397 30 20 DBED Cn1cnnc1CN1CC[C@@H](NC(=O)C#CC(C)(C)C)[C@H](O)C1 1099826784 QABXWZACBBOZRB-CHWSQXEVSA-N 319.409 -0.084 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)CCn2cnccc2=O)[C@H](O)C1 1100050472 ITBFEGJCESOCHJ-UONOGXRCSA-N 320.393 -0.239 30 20 DBED CCn1ncc(C(=O)NCCN(C)c2ccnc(C#N)n2)n1 1100061337 ZKSURZAFTNAILX-UHFFFAOYSA-N 300.326 -0.174 30 20 DBED C#CCCN1CC[C@H](NC(=O)CCc2cncn2C)[C@H](O)C1 1100094888 UNOFKKIPGSJDGH-LSDHHAIUSA-N 304.394 -0.073 30 20 DBED CN1CC[C@@H](CC(=O)NCCN(C)c2ccc(C#N)nn2)C1=O 1100194697 JAKKPUFYDVGQHW-NSHDSACASA-N 316.365 -0.231 30 20 DBED Cc1ncoc1C(=O)NCC1CC(NCC(=O)NCC#N)C1 1100221538 JBGXMNREWPKYTG-UHFFFAOYSA-N 305.338 -0.279 30 20 DBED CCN(CCNC(=O)Cn1nccn1)c1cnc(C#N)cn1 1100625887 CMPXWSUJZATLGR-UHFFFAOYSA-N 300.326 -0.418 30 20 DBED C=CCCNC1CC(CNC(=O)[C@@H](CCC(N)=O)NC(C)=O)C1 1100763078 GEWSUVPDNMGKEZ-JXQTWKCFSA-N 324.425 -0.183 30 20 DBED CS(=O)(=O)CC(=O)NCCN(c1nccnc1C#N)C1CC1 1101301978 SFOUXDTZADQYFU-UHFFFAOYSA-N 323.378 -0.522 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1CNC(=O)CC1(O)CCC1 1101947846 KHVHZJYDHSJXNL-CHWSQXEVSA-N 322.409 -0.385 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1CNC(=O)CCN1C(=O)CCC1=O 1102134116 UHNNFUKLGNVDFJ-VXGBXAGGSA-N 306.366 -0.267 30 20 DBED CC[C@@H](CNC(=O)c1ncn(C)n1)N=c1cc[nH]c(C#N)n1 1103063830 AWSSEWHKBXCQDK-VIFPVBQESA-N 300.326 -0.481 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)[C@@H]1CCC(=O)N1C 1104180547 WUDDGNOTOSPYPU-QWRGUYRKSA-N 316.365 -0.445 30 20 DBED COC(=O)NCC(=O)N(C)[C@H](C)CNc1ccc(C#N)nn1 1104475427 KLBZVBJBCZFGET-SECBINFHSA-N 306.326 -0.037 30 20 DBED COCCOCC(=O)N(C)CCN(C)c1ccc(C#N)nn1 1105346691 HJCGRFJLJSHYPG-UHFFFAOYSA-N 307.354 -0.094 30 20 DBED CCn1cc(C(=O)NC[C@H](O)CN=c2cc[nH]cc2C#N)cn1 1105765723 FEZAZTWFOVFXHM-CYBMUJFWSA-N 314.349 -0.206 30 20 DBED CC(C)[C@H](C(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1)N(C)C 1105917430 IDKBFZJLDXJKFO-SMDDNHRTSA-N 320.397 -0.755 30 20 DBED Cc1cc(=NC[C@@H](O)CNC(=O)c2cccnn2)c(C#N)c[nH]1 1105935307 LSJOZJLQOOMQNE-GFCCVEGCSA-N 312.333 -0.324 30 20 DBED CN1CC[C@@H](C(=O)NC[C@@H](O)CNc2ncccc2C#N)C1=O 1106064675 WKLCLNKXAXHHHJ-RYUDHWBXSA-N 317.349 -0.679 30 20 DBED C[C@H]1CCN(CC(=O)NC[C@@H](O)CN=c2cc[nH]c(C#N)n2)C1 1106103799 CPDDACYAZLMRJJ-RYUDHWBXSA-N 318.381 -0.999 30 20 DBED N#Cc1cncc(NC[C@@H](O)CNC(=O)CCc2cnc[nH]2)n1 1106149605 BZOVUKJAXIJJGX-GFCCVEGCSA-N 315.337 -0.407 30 20 DBED C[C@@H](CCNc1nccnc1C#N)NC(=O)Cn1cnnc1O 1106287738 SOYRZMIESKQUML-VIFPVBQESA-N 316.325 -0.348 30 20 DBED C[C@@H]1CN(C(=O)c2cnco2)C[C@H]1CNCC(=O)NCC#N 1106494104 FKPOMFHQALCKTG-GHMZBOCLSA-N 305.338 -0.388 30 20 DBED COCC(=O)N[C@H](C(=O)N1C[C@@H](C)[C@H](CNCC#N)C1)C(C)C 1106739067 PEWOVRPICCOWAH-NFAWXSAZSA-N 324.425 -0.019 30 20 DBED CCN(CCNc1nccnc1C#N)C(=O)[C@@H]1COC(=O)N1 1106754242 JAACKMPFVBHLQI-JTQLQIEISA-N 304.310 -0.283 30 20 DBED C=CCCCN1CC(n2cc(CNC(=O)CC(N)=O)nn2)C1 1107150372 KTHFIRDPCKWMIG-UHFFFAOYSA-N 306.370 -0.407 30 20 DBED C=C[C@](C)(O)CC(=O)NCc1cn(C2CN(C[C@@H](C)O)C2)nn1 1107163836 DGMXGZXXQRHLPY-ABAIWWIYSA-N 323.397 -0.541 30 20 DBED CC#CCN1CC(n2cc(CNC(=O)[C@H](COC)OC)nn2)C1 1107207680 BHUFZHUGAREIHQ-AWEZNQCLSA-N 321.381 -0.564 30 20 DBED C=CCN1CC(n2cc(CNC(=O)[C@@H](COC)OC)nn2)C1 1107207764 DQVMLACCXVILES-CYBMUJFWSA-N 309.370 -0.402 30 20 DBED C#CCNC(=O)CC(=O)NC[C@]12CCC[C@H]1N(CCO)CC2 1107374088 JMMYHSPPVPXUIS-CZUORRHYSA-N 307.394 -0.521 30 20 DBED C[C@H](CC(N)=O)C(=O)NC/C=C/CNc1nccnc1C#N 1107453026 WIDOUSSEWUMCGY-VMZHVLLKSA-N 302.338 -0.056 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](C)NC(=O)CCn2cnnn2)n1 1107891401 ZVBHKWBMRJFCQX-SNVBAGLBSA-N 315.341 -0.350 30 20 DBED C[C@]1(CNC(=O)Cn2cc(C3CC3)nn2)CN(CC#N)CCO1 1107993642 VMRNNUCMPUPUQP-HNNXBMFYSA-N 318.381 -0.114 30 20 DBED C[C@@H](CNc1cncc(C#N)n1)NC(=O)[C@]1(C)CCC(=O)N1 1108671775 WPARLJCCKXWVKN-XPTSAGLGSA-N 302.338 -0.066 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CN(C)c1cnc(C#N)cn1 1108945851 YCOPGVLUHVHMMY-NSHDSACASA-N 314.349 -0.571 30 20 DBED C[C@H](CN(C)c1ccc(C#N)nn1)NC(=O)C(=O)NCC1CC1 1109060313 ADWTYSFVYPAPAP-SNVBAGLBSA-N 316.365 -0.185 30 20 DBED N#Cc1ccc(NC[C@H](NC(=O)CNC(N)=O)C2CC2)nn1 1109753689 HBDWWIGASDQMBY-JTQLQIEISA-N 303.326 -0.677 30 20 DBED C#CCCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN(C)S(C)(=O)=O 1110619224 SUWIAZPXDFXAMG-UPJWGTAASA-N 313.423 -0.377 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1[nH]nnc1C 1110883790 PLSJHRROPOQIJH-UTUOFQBUSA-N 316.365 -0.802 30 20 DBED N#Cc1cnccc1N1CC[C@@](O)(CNC(=O)c2cnn[nH]2)C1 1111143176 IVHQHNNSIUYJTB-CQSZACIVSA-N 313.321 -0.557 30 20 DBED CNC(=O)CC(=O)N1CCO[C@@H](CN=c2cc[nH]cc2C#N)C1 1111940376 LJKRUASUPZOULJ-LBPRGKRZSA-N 317.349 -0.849 30 20 DBED C[C@@H]1C[C@H](NC(=O)CNC(N)=O)CCN1c1ccc(C#N)nn1 1112458224 YGDSDEHFYIJGDK-NXEZZACHSA-N 317.353 -0.510 30 20 DBED COCCCC(=O)NC[C@H]1CN(c2ccnc(C#N)n2)C[C@H]1O 1112704098 CBMVKDKEHTYFGP-NWDGAFQWSA-N 319.365 -0.312 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 1112772732 HWHNWXFJXZCEAW-UHFFFAOYSA-N 300.322 -0.716 30 20 DBED COCC#CCN1CCN(C(=O)c2ccc(=O)n(C)c2)CC1 1113063465 IJCOTNBFLZTKGV-UHFFFAOYSA-N 303.362 -0.207 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H](C)N(C)c1cc(F)ncn1 1113567264 NWYSHRMHSKHQTF-SNVBAGLBSA-N 307.329 -0.304 30 20 DBED CCS(=O)(=O)NCCN1C[C@H]2C(NC(=O)[C@H](C)C#N)[C@@H]2C1 1114067501 SPQBZVVXGOYKMX-GMTAPVOTSA-N 314.411 -0.868 30 20 DBED CC#CCN1C[C@H]2[C@H](NC(=O)CNC(=O)N3CCCC3)[C@H]2C1 1114266209 MKMGAVVYCIDMJS-NHAGDIPZSA-N 304.394 -0.139 30 20 DBED C=CCCN1C[C@H]2C(NC(=O)[C@H](C)NS(=O)(=O)CC)[C@@H]2C1 1114311927 WVWIIOXVTYXTCO-QJPTWQEYSA-N 315.439 -0.063 30 20 DBED Cc1ccc(C#N)c(N2C[C@H]3C(CNC(=O)CC(N)=O)[C@@H]3C2)n1 1114547025 OLATYFCBOOQFCH-STQMWFEESA-N 313.361 -0.065 30 20 DBED C=CCCCN1C[C@H]2C(NC(=O)CN3CC(=O)N(C)C3=O)[C@@H]2C1 1115113282 IIIQUKNQIHCCPJ-VXGBXAGGSA-N 320.393 -0.107 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)Cn3ccnc3C)[C@H]2C1 1115243501 OWRJXWBNTXUASK-FOLVSLTJSA-N 302.378 -0.112 30 20 DBED CNC(=O)C1(C(=O)N(C)C[C@@H](C)N=c2cc[nH]c(C#N)n2)CC1 1115784146 NIHOZOCPQMTNTH-SNVBAGLBSA-N 316.365 -0.445 30 20 DBED C=CCN(CC=C)C(=O)C(=O)NC[C@@H]1CC[C@H](C(=O)N(C)C)O1 1117632695 SGADYIMTZQWXNA-QWHCGFSZSA-N 323.393 -0.061 30 20 DBED C[C@@H](C(=O)NC[C@@H](CO)Nc1nccnc1C#N)n1cccn1 1121213993 WDJBSVQVUIHSRF-QWRGUYRKSA-N 315.337 -0.305 30 20 DBED C=CCOCC(=O)NC[C@@H](CO)N=c1ccc2ncc[nH]c-2n1 1121324551 ORBYVNWBCMRINU-NSHDSACASA-N 317.349 -0.510 30 20 DBED C=CCn1c(CNS(=O)(=O)CC)nnc1N1CCOCC1 1121717000 UGPMHUTUEZCMMN-UHFFFAOYSA-N 315.399 -0.260 30 20 DBED Cc1c(C(=O)NC[C@@H](CO)N=c2cc[nH]c(C#N)n2)ccn1C 1122495196 ZRBDTYVHNDNEHE-NSHDSACASA-N 314.349 -0.380 30 20 DBED C=C(C)Cn1c(Cc2nc[nH]n2)nnc1N1CCN(C)C(=O)C1 1122581497 WJBWODGOWIZPRW-UHFFFAOYSA-N 316.369 -0.159 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)CCSC 1123205915 HAVLCULESOUUEP-JTQLQIEISA-N 316.427 -0.154 30 20 DBED CN(C[C@H](O)CNc1ccc(C#N)nn1)C(=O)[C@@H]1CCCN1C 1124208497 XDLICZIZHHCMBU-OLZOCXBDSA-N 318.381 -0.326 30 20 DBED C=C[C@](C)(O)CC(=O)NCCNCc1nnn(C(C)(C)C)n1 1126377705 DOGFNOBSUXARAB-AWEZNQCLSA-N 310.402 -0.039 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1cnc(OC(C)C)cn1 1127288371 DYRBAHMPSRISJF-UHFFFAOYSA-N 321.381 -0.115 30 20 DBED Cn1cncc1CC(=O)NCc1cnn2c1CN(CC#N)CC2 1128560756 WUEMFGGUJOTMKH-UHFFFAOYSA-N 313.365 -0.185 30 20 DBED C=CCCN[C@@H]1CN(C(=O)Cc2nc[nH]n2)C[C@@H]1n1ccnn1 1130083497 AAVKSTASFCPCAT-NEPJUHHUSA-N 316.369 -0.444 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@@H]1CCCn2nccc21 1130438499 TXICMISDRVWALU-GFCCVEGCSA-N 303.366 -0.784 30 20 DBED Cc1c(C(=O)NCCNCC(=O)NCC#N)ccc2cncn12 1130656655 WDAJIZNYLUVYMQ-UHFFFAOYSA-N 314.349 -0.398 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)CCCCNC(N)=O 1130976884 NMAAJICTPSGOOV-LLVKDONJSA-N 313.402 -0.779 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)CNC(=O)CC)C[C@@]3(C1)O2 1131210871 XZSYLFDZQISFGF-WOSRLPQWSA-N 305.378 -0.553 30 20 DBED COCC#CCN1CCNC(=O)CCN(C(=O)[C@@H]2C[C@@H]2C)CC1 1131323175 SICMAPSJHNISJT-LSDHHAIUSA-N 321.421 -0.057 30 20 DBED C[C@H]1CC[C@H](NC(=O)c2ncn(C)n2)CN1CC(=O)NCC#N 1132001582 AZAUZSAJXLADJD-QWRGUYRKSA-N 319.369 -0.962 30 20 DBED C[C@H]1CCN(C(=O)c2nccnc2C(N)=O)C[C@H]1CNCC#N 1133298854 UDXDTIHOGCJXKD-WDEREUQCSA-N 316.365 -0.213 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)C[C@H](C)NCc1cn(C)nn1 1134130203 DSRPBMJRKQYNHQ-NWDGAFQWSA-N 320.397 -0.673 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)C[C@H](C)NCc1ccnn1C 1134131517 XPHCQVIFNBMPCY-STQMWFEESA-N 319.409 -0.068 30 20 DBED CC(C)NC(=O)CN(C)CC(=O)N[C@H](C)C[C@@H](C)NCC#N 1134839752 PAGVACVZFSLNSX-CHWSQXEVSA-N 311.430 -0.161 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC2(CN(C(=O)[C@@H]3CCOC3)C2)C1 1147104923 ASJBNCPWGKPXHN-UONOGXRCSA-N 319.405 -0.305 30 20 DBED CCNC(=O)NC(=O)CN1CCC2(C1)CN(C(=O)[C@@H](C)C#N)C2 1147224774 BDVAYDNDIWJREZ-NSHDSACASA-N 321.381 -0.474 30 20 DBED COCC#CCN1CCC2(C1)CN(C(=O)[C@H]1CC[C@@H]1C(N)=O)C2 1148046257 XBKCTYNMIAYHAJ-KBPBESRZSA-N 319.405 -0.318 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)COc1ccccc1 1148863327 QUJUFUIZYCFWAH-ZDUSSCGKSA-N 303.362 -0.091 30 20 DBED C#CCCN1CCCO[C@H](CNC(=O)[C@]2(C)CCNC2=O)C1 1150317050 GTZCYGTWMQMUNF-CZUORRHYSA-N 307.394 -0.257 30 20 DBED Cc1ccc(NC(=O)C(=O)NCCNCC(=O)NCC#N)cc1 1150789012 MSQWJLWCNIPHJL-UHFFFAOYSA-N 317.349 -0.721 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)NCCNCc1nccn1C 1152398557 CTVAINUWQLCGDF-UHFFFAOYSA-N 322.413 -0.110 30 20 DBED C=CCO[C@H](C)C(=O)NCCNCCN1CCCS1(=O)=O 1153135712 ZHQABEBIANYTCC-GFCCVEGCSA-N 319.427 -0.681 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)Cc1n[nH]c(C)n1 1153253195 RAGZVNYXVVMGNX-LLVKDONJSA-N 320.397 -0.768 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1cnn(C)c1C1CC1 1153544132 LGBOXHFEBWYFKI-LLVKDONJSA-N 317.393 -0.245 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)[C@H]2CCCN2C)C1=O 1155812512 NXBMYIKPWPUTJP-UONOGXRCSA-N 308.426 -0.037 30 20 DBED C#CCNC(=O)CC(=O)NCCCN[C@H]1CCN(C(C)C)C1=O 1156852967 SCGQYIQIFSMDMD-ZDUSSCGKSA-N 322.409 -0.769 30 20 DBED C#CCNC(=O)CC(=O)NCCCNCc1nnc(C)n1CC 1156857592 WVYWJLAMSDJCFP-UHFFFAOYSA-N 320.397 -0.658 30 20 DBED C=C[C@](C)(O)CC(=O)NCCCNCC(=O)Nc1cnccn1 1157190014 XTVLXZFWQOGWOJ-HNNXBMFYSA-N 321.381 -0.162 30 20 DBED N#CCNC(=O)CNCCCNC(=O)[C@H]1CCCn2nccc21 1161255967 GEBVOCAOHWWHBW-LBPRGKRZSA-N 318.381 -0.504 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)COCC(F)F 1163208758 XFTDZALWTVYHAM-SNVBAGLBSA-N 305.325 -0.498 30 20 DBED C#CCO[C@@H](C)C(=O)NCCC1(CNCC(=O)NC(N)=O)CC1 1164505284 WGEMQICVIANWOP-NSHDSACASA-N 324.381 -0.904 30 20 DBED N#CCNC(=O)CN1CCO[C@@H]2CCN(C(=O)CC3CC3)C[C@@H]21 1176883234 WQTAAINVTHEAIN-UONOGXRCSA-N 320.393 -0.272 30 20 DBED C#CCCN1CCO[C@H]2CCN(C(=O)C3(C(=O)NC)CC3)C[C@@H]21 1177112016 DIXXPFDYXKRBPJ-KBPBESRZSA-N 319.405 -0.162 30 20 DBED C#CCN[C@H]1CCN(C(=O)CS(=O)(=O)N(CC)CC)[C@H]1C 1179644900 ZDIYGKSQQSCXJX-STQMWFEESA-N 315.439 -0.130 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2cnn(C)c2)C1 1188803615 MAGOKUWQVYZWHA-CYBMUJFWSA-N 303.366 -0.684 30 20 DBED CCO[C@@H](CC)C(=O)N1CC[C@@H](N(C)CC(=O)NCC#N)C1 1189188083 GCXUPCYJUKJTDQ-OLZOCXBDSA-N 310.398 -0.026 30 20 DBED C=C(C)CN1C[C@@H]2CCN(C(=O)CS(=O)(=O)N(C)C)[C@@H]2C1 1189992283 GPWFDSHPSXAWJB-QWHCGFSZSA-N 315.439 -0.013 30 20 DBED C=CCCC1(C(=O)N[C@@H]2CN(CCOCCO)C[C@H]2O)CC1 1195905785 CLPSOFFSMOEYLO-ZIAGYGMSSA-N 312.410 -0.097 30 20 DBED COCC#CCN1CCCN(C(=O)C(=O)NCC2CC2)CC1 1197620295 KKYZAEHWKYLMIO-UHFFFAOYSA-N 307.394 -0.303 30 20 DBED Cc1nn(C)c(C)c1C[C@@H](C)C(=O)N[C@@H]1CN(CC#N)C[C@H]1O 1198881422 XEVNDIDEHZFWGV-VCTAVGKDSA-N 319.409 -0.100 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)c2cnsn2)CC1 1199478307 OUUREHMFUAPUER-UHFFFAOYSA-N 307.379 -0.518 30 20 DBED C=CCNC(=O)CNC[C@@H]1CN(C(=O)CCOC)CCCO1 1199653265 MYPIEUSRCDGCHZ-CYBMUJFWSA-N 313.398 -0.468 30 20 DBED C=CCCNC1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)CC1 1202738136 OKPVGGASIXUFRG-UHFFFAOYSA-N 320.393 -0.146 30 20 DBED CC#CCNC1CCN(C(=O)CCCN2C(=O)CNC2=O)CC1 1203649192 YIEOUSHKXGQBEA-UHFFFAOYSA-N 320.393 -0.078 30 20 DBED N#CCNC(=O)CNCC1CCN(C(=O)[C@@]23COC[C@@H]2C3)CC1 1205339469 GTBVPEPRXVJTDP-BBRMVZONSA-N 320.393 -0.509 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)CC(=O)NCC)[C@H](C)C1 1206894092 XPNWNXQDLUGZPJ-JHJVBQTASA-N 322.409 -0.913 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(CCN2CCNC2=O)C[C@H]1C 1206916202 ZAHWZKMNYBHKBL-IOASZLSFSA-N 324.425 -0.225 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)[C@H](C1CC1)N(C)C 1207546803 AEWGOEIMFHMPDM-KYOSRNDESA-N 321.425 -0.597 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC[C@H](NCc2cnn(C)n2)C1 1208017847 GJHUVCRJRBVYOH-STQMWFEESA-N 305.382 -0.066 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCN(C(=O)Cc2cnoc2)C1 1209214010 WSCZZINCKAKNHV-GFCCVEGCSA-N 305.338 -0.563 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCN(C(=O)c2ccnnc2)C1 1209797436 QPLOEUYQOKXBGP-GFCCVEGCSA-N 302.338 -0.689 30 20 DBED Cc1ccnn1CC(=O)N1CCC[C@@H](NCC(=O)NCC#N)C1 1209865295 FXNXJAZTIWSJJK-CYBMUJFWSA-N 318.381 -0.588 30 20 DBED Cn1cncc1CC(=O)N1CCC[C@@H](NCC(=O)NCC#N)C1 1210669544 YJGJAIABWOFQIB-GFCCVEGCSA-N 318.381 -0.817 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)[C@H](C)SC)[C@H](OC)C1 1211908860 KPIBFWKNIVNGKF-QJPTWQEYSA-N 315.439 -0.145 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(Cc2cnon2)C[C@H]1OC 1212194782 XAYHEOVPVFLELJ-YRGRVCCFSA-N 310.354 -0.288 30 20 DBED C=CCOCCN1C[C@@H](NC(=O)c2cnnn2CC)[C@H](OC)C1 1212219051 WKYLEFMNLGXZGV-TZMCWYRMSA-N 323.397 -0.070 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H](C)OCCOC 1218723505 QZYIMGTTWUUWSR-SOUVJXGZSA-N 310.394 -0.027 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)c2cc(C)[nH]n2)C1 1219269781 QFXFAGAKHOJJNR-RTXFEEFZSA-N 321.381 -0.816 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@H]2C[C@@H]2C(F)F)C1 1219558259 PINKXCXIKQKONG-MMWGEVLESA-N 317.336 -0.649 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)C2(CCC)CC2)C1 1220303454 OJUNOGRWMXCCIQ-MCIONIFRSA-N 321.421 -0.134 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)C2(C)CC(=C)C2)C1 1220320508 BENSRJCRIFDPMV-MCIONIFRSA-N 319.405 -0.358 30 20 DBED CCC[C@H](CC)C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@@H]1O 1220631827 STQJWLAUSXALQX-XQQFMLRXSA-N 310.398 -0.386 30 20 DBED C=CCN1CC[C@@H]2CN(C(=O)CS(=O)(=O)CCOC)[C@@H]2C1 1221650871 JVLZZCQMGWVNCP-CHWSQXEVSA-N 316.423 -0.234 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)CNC(=O)CCC)CC1 1226369798 QSVOMFXEWHYRSW-UHFFFAOYSA-N 322.409 -0.767 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)[C@@H](C)OCC=C)CC1 1230406930 HIAKOORTMBDEBI-CYBMUJFWSA-N 307.394 -0.093 30 20 DBED C#CCO[C@@H](C)C(=O)NCC[C@@H]1CN(CC)CCS1(=O)=O 1230461604 AGWXMYIERQAQDB-QWHCGFSZSA-N 316.423 -0.350 30 20 DBED CCc1cc(C(=O)N(C)C[C@@H]2CCN2CC(=O)NCC#N)n[nH]1 1230806355 KREIRDPNGCJCEN-LBPRGKRZSA-N 318.381 -0.242 30 20 DBED COCCCNC(=O)CN1CC[C@H]1CN(C)C(=O)[C@@H](C)C#N 1231245897 BTVZTHAJGYAAIK-STQMWFEESA-N 310.398 -0.169 30 20 DBED C#CCOCCC(=O)N(C)C[C@@H]1CCN1[C@H]1CCN(C)C1=O 1234246589 QUUFHHQXYHLQEH-KBPBESRZSA-N 307.394 -0.210 30 20 DBED C#C[C@@H](NC(=O)N(C)CCNS(C)(=O)=O)[C@@H]1CCCO1 1255218915 YHGOIORGYNONBA-MNOVXSKESA-N 303.384 -0.642 30 20 DBED O=C(NCC#Cc1ccccc1)C(=O)NCC(=O)N1CCCC1 1256944193 OARMSYNYVMBSBE-UHFFFAOYSA-N 313.357 -0.107 30 20 DBED Cn1c(C#N)ccc1C(=O)NCCc1nnc2c(=O)[nH]ccn12 1303588402 VOLQLVABLQLDAU-UHFFFAOYSA-N 311.305 -0.400 30 20 DBED C=CCNC(=O)C(=O)Nc1cnn(CCN2CCOCC2)c1 1319710410 MCKDNHNTHFXUQU-UHFFFAOYSA-N 307.354 -0.544 30 20 DBED C#CCOCCNC(=O)C(=O)N(C)[C@@H](C)C(=O)NC(C)(C)C 1322966066 BNSSPLUOOUHDBW-NSHDSACASA-N 311.382 -0.486 30 20 DBED CC#CCN(C)C(=O)C(=O)N1CCN(CC(C)(C)O)C[C@H]1C 1325115130 NKDXNXMHFUNLTN-CYBMUJFWSA-N 309.410 -0.228 30 20 DBED C=C[C@H](COC)NC(=O)[C@H](C)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 1325638015 CQPKVZUAVUJOQD-ZRFFIENRSA-N 322.361 -0.146 30 20 DBED COC[C@H]1C[C@@H](O)CN1C(=O)C(=O)NCc1ccc(C#N)cc1 1326667565 CPBZPXWVQZFZHO-ZIAGYGMSSA-N 317.345 -0.217 30 20 DBED N#CC[C@@H]1CCCN(C(=O)C(=O)NCC2(CC(N)=O)CC2)C1 1328200911 ZXTDGPRWXUYGPB-NSHDSACASA-N 306.366 -0.090 30 20 DBED CCNC(=O)CNC(=O)C(=O)Nc1cccc(OCC#N)c1 1330480131 UNVCDVVGFVOLBA-UHFFFAOYSA-N 304.306 -0.220 30 20 DBED C=CCC1(O)CCN(C(=O)C(=O)NCC[S@](=O)CC)CC1 1332118968 JKPWNLNPOAMIGH-OAQYLSRUSA-N 316.423 -0.199 30 20 DBED N#CC1CCN(C(=O)NCCOCCS(N)(=O)=O)CC1 1333766808 NUYCFXQTXKWEGF-UHFFFAOYSA-N 304.372 -0.763 30 20 DBED C#CCOCCn1nnnc1N1CCC(C(=O)N(C)OC)CC1 1336017745 KAPZZOWAKMQMPT-UHFFFAOYSA-N 322.369 -0.441 30 20 DBED C=CCn1c([C@@H]2CC(=O)N(C)C2)nnc1N(C)CCNC(C)=O 1338785074 APAAXDJXFFZXET-GFCCVEGCSA-N 320.397 -0.018 30 20 DBED C=C(C)Cn1c(-c2ncnn2C)nnc1N1CCCNC(=O)C1 1343360635 ZLBVNPYKECBMPN-UHFFFAOYSA-N 316.369 -0.024 30 20 DBED CCS(=O)(=O)CCN(C)C(=O)C(=O)Nc1cccc(C#N)n1 1345810561 DNWGNVZWRJSVDH-UHFFFAOYSA-N 324.362 -0.215 30 20 DBED C=CCCN(C)c1nnnn1[C@H]1CCN(S(C)(=O)=O)C1 1352538137 OUNSUWLWRSABRB-JTQLQIEISA-N 300.388 -0.108 30 20 DBED CN(C)[C@H]1CCC[C@@H](NC(=O)Cn2cc(C#N)c(O)nc2=O)C1 1362337517 RMNRYQQEDBXAMA-NEPJUHHUSA-N 319.365 -0.190 30 20 DBED C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)N2CC(C#N)C2)cc1 1363114023 XYBQPGKSLHWWEG-JTQLQIEISA-N 323.374 -0.059 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)NCc1nnc2n1CCOC2 1363878100 UJGDQQDSKAVYBV-VIFPVBQESA-N 314.371 -0.623 30 20 DBED C=C(Cl)CN1CC(CNC(=O)C[C@H](NC(C)=O)C(N)=O)C1 1378000199 ZTVRECCNMYPKKU-NSHDSACASA-N 316.789 -0.833 30 20 DBED C[C@@H](CC(N)=O)C(=O)N(C)[C@H](C)CNC(=O)c1cc(C#N)c[nH]1 1380676187 XDNNFADAKUXZNG-VHSXEESVSA-N 319.365 -0.025 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H]1CNC(=O)C1(NC(N)=O)CC1 1387353236 PDODQVZMQGHBBH-VHSXEESVSA-N 307.354 -0.546 30 20 DBED CCC(=O)N[C@@H](C)C(=O)N1CC(NC(=O)c2cc(C#N)c[nH]2)C1 1389163348 AMTBRXMZSJQURA-VIFPVBQESA-N 317.349 -0.258 30 20 DBED CC(C)Cn1cc(C(=O)NC[C@H](O)CNC(=O)[C@H](C)C#N)cn1 1399872723 PNHHNPOBKJMNPD-DGCLKSJQSA-N 321.381 -0.094 30 20 DBED C[C@H](C#N)C(=O)NCC1CN(C(=O)c2ccn(C)c(=O)c2)C1 1409176404 YTPUOCWZXSDUPG-SNVBAGLBSA-N 302.334 -0.267 30 20 DBED COC(=O)[C@H]1CN(C)CCN(C(=O)[C@@H](C)n2cnc(C#N)n2)C1 1412254115 XAQSBYLXVOVIEG-MNOVXSKESA-N 320.353 -0.726 30 20 DBED C[C@H](C#N)C(=O)N1CCCO[C@@H](CNC(=O)Cc2ncc[nH]2)C1 1426302224 OWEJGWSTMDVZFS-NEPJUHHUSA-N 319.365 -0.154 30 20 DBED C[C@H](C#N)C(=O)NCCN(C)C(=O)COCc1ccnn1C 1429456332 XPXJSYAYTFUNHG-LLVKDONJSA-N 307.354 -0.329 30 20 DBED C[C@@H](CC(N)=O)C(=O)NCC1CN(C(=O)c2c[nH]c(C#N)c2)C1 1432468552 LRAQGBYITCJFMR-VIFPVBQESA-N 317.349 -0.414 30 20 DBED Cn1c(C#N)ccc1C(=O)N1CCN(CC(=O)NC2CC2)CC1 1440646148 VUKXMRUCLWRLER-UHFFFAOYSA-N 315.377 -0.067 30 20 DBED Cc1n[nH]c(C)c1NC(=O)CN1CC(NC(=O)[C@H](C)C#N)C1 1443454557 BYUSNIPJNCQQCV-MRVPVSSYSA-N 304.354 -0.075 30 20 DBED CC(=O)N(C)CC(=O)N(C)C[C@H](C)NC(=O)c1ccc(C#N)[nH]1 1450958129 WOKJSXDDFXWLKB-JTQLQIEISA-N 319.365 -0.059 30 20 DBED C[C@@H](CNC(=O)CCS(C)(=O)=O)CNC(=O)[C@H](C)C#N 1451597972 IZWFRGWUCFDIBG-VHSXEESVSA-N 303.384 -0.551 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@@H](CNC(=O)CN2CCCC2=O)C1 1452897596 CPYCTZFAOUCKCT-SDDRHHMPSA-N 306.366 -0.221 30 20 DBED N#Cc1cn(CC(=O)N2CCCN3CCC[C@@H]3C2)c(=O)nc1O 1464576298 FLZVSPBBVRJNNH-GFCCVEGCSA-N 317.349 -0.483 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C(=O)CNC(=O)N2CCCC2)CC1 1491021115 GXGLTCZSGDWYPP-LBPRGKRZSA-N 321.381 -0.378 30 20 DBED C[C@@H](CNC(=O)c1cn(C)c(=O)nc1O)CNC(=O)[C@H](C)C#N 1532238591 ZWAZXBUVAULSGB-RKDXNWHRSA-N 321.337 -0.872 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CNC(=O)O)C1 1573311480 RJBXXJKGPPQOLW-RYUDHWBXSA-N 322.365 -0.931 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H](C)NC(=O)CCCc1cnn[nH]1 1575014196 XTHGPXNWCDBQNR-NEPJUHHUSA-N 321.381 -0.213 30 20 DBED COC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](N)CCCC#N 1578812104 JEYFHYXANCTSCH-MNOVXSKESA-N 310.354 -0.712 30 20 DBED N#Cc1nc(N[C@@H]2CCCS(=O)(=O)C2)cnc1-c1nn[nH]n1 1581880514 MTYAXBRNRVVBQD-SSDOTTSWSA-N 320.338 -0.483 30 20 DBED C#CC1(O)CN(C(=O)NCc2ccc(-c3nn[nH]n3)s2)C1 1588333294 KKDBNKCFTZBGMK-UHFFFAOYSA-N 304.335 -0.182 30 20 DBED CC#CCN(C)C(=O)C(=O)N1CC[C@@]2(CC(C(=O)O)=NO2)C1 1588931071 KIUWDSIFECTXAW-CQSZACIVSA-N 307.306 -0.700 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N1CCO[C@@H](CC(=O)O)C1 1589330845 RUYBJSXXOIGXKV-ZJUUUORDSA-N 305.356 -0.502 30 20 DBED CC(C)C#CC(=O)NCCOCCN(C)C(=O)[C@@H]1C[C@H]1C(=O)O 1590928202 WOARPQOLHBWCTP-CHWSQXEVSA-N 324.377 -0.042 30 20 DBED CSc1nc(O)c(C(=O)NC[C@H](O)CC(=O)O)cc1C#N 1599805518 ZONBWEGUBOVLSM-SSDOTTSWSA-N 311.319 -0.054 30 20 DBED N#Cc1cc(C(=O)N2CCN(C(=O)[C@H]3C[C@@H]3C(=O)O)CC2)c[nH]1 1601085213 WECDBNKFZUZPBD-RYUDHWBXSA-N 316.317 -0.109 30 20 DBED COC[C@@H](CCNc1cnc(C#N)c(-c2nn[nH]n2)n1)OC 1605053115 SDZJZXLAXTXOGE-MRVPVSSYSA-N 304.314 -0.008 30 20 DBED N#Cc1nc(NCCNc2ncccn2)cnc1-c1nn[nH]n1 1606397526 SCQBVTOZKGSFNO-UHFFFAOYSA-N 309.297 -0.158 30 20 DBED N#CCCNC(=O)COC(=O)c1cnccc1-c1nn[nH]n1 1609495417 LRUOGWXPFUQNPA-UHFFFAOYSA-N 301.266 -0.552 30 20 DBED C#CCNC(=O)CNC[C@@H](CC(C)C)NC(=O)[C@H]1CCCN1C 1714927230 NMAOGFHSHIYKMD-HUUCEWRRSA-N 322.453 -0.050 30 20 DBED C=CCNC(=O)[C@H](C)N1CC[C@H](NC(=O)CN(C)C(C)=O)C1 1752382635 XWFSMQJCXVAIKV-AAEUAGOBSA-N 310.398 -0.654 30 20 DBED C=CCN1CC[C@@H](N[C@@H](CNC(=O)CNC(C)=O)C2CC2)C1=O 1752445126 OASXUCMAGQAQFR-KGLIPLIRSA-N 322.409 -0.606 30 20 DBED C#CCNCCNC(=O)[C@H]1CCCN(C(=O)C#CC2CC2)C1 1752926752 YDHLLHCTGXQJOU-HNNXBMFYSA-N 301.390 -0.023 30 20 DBED C=CCNC(=O)[C@H](C)N1CC[C@H](N(C)C(=O)c2cnnn2C)C1 1753434765 HVIAMCYUUWHMQF-RYUDHWBXSA-N 320.397 -0.348 30 20 DBED C=CCN1CC[C@@H](NC[C@@H](O)CNC(=O)c2coc(C)n2)C1=O 1753908020 DJUPGAQPJYIMGG-VXGBXAGGSA-N 322.365 -0.550 30 20 DBED C=CCNC[C@H](O)CNC(=O)c1ccc(-n2ccnc2)nn1 1753931678 YJHNAOPDJPHZEQ-NSHDSACASA-N 302.338 -0.471 30 20 DBED C#CCNC(=O)CNC/C=C/CNC(=O)C(C)(C)N1CCCC1 1754155858 BQGYCDKSTJKBAW-AATRIKPKSA-N 320.437 -0.128 30 20 DBED Cn1nnc(CN2C[C@H]3C[C@H]2[C@H]3NC(=O)C#CC(C)(C)C)n1 1754423097 RMKDSVYTKLFWGD-SUNKGSAMSA-N 302.382 -0.052 30 20 DBED C=C(C)CCNC[C@@H](NC(=O)CN1C(=O)CNC1=O)C1CC1 1754460189 NBAAOAHDWUEKAS-GFCCVEGCSA-N 308.382 -0.011 30 20 DBED C=CCCN1CCOC[C@@H]1CNC(=O)C[C@H]1CC(=O)NC1=O 1754973680 DCJHPNBAJPECGG-RYUDHWBXSA-N 309.366 -0.568 30 20 DBED C#CCNC[C@H]1CN(C(=O)[C@H]2CCc3cncn3C2)CCO1 1755006053 WWYOMWMYAXRJLP-ZFWWWQNUSA-N 302.378 -0.104 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)CCCN(C)C(=O)Cn1cccn1 1755033076 IXUOEPGXHRZWAW-CQSZACIVSA-N 319.409 -0.199 30 20 DBED C[C@@H](C(=O)NC[C@H]1[C@@H]2CN(CC#N)C[C@H]12)N1C(=O)CCC1=O 1755424200 HBRHGFVFZRJOIF-FIQHERPVSA-N 304.350 -0.659 30 20 DBED C=CCOCCN[C@@H](C)[C@@H]1CN(C(=O)c2nnn(C)n2)CCO1 1755446888 XTMAENZIIKTCBP-RYUDHWBXSA-N 324.385 -0.768 30 20 DBED Cc1cncn1CC(=O)N1C[C@H](NCC(=O)NCC#N)C[C@@H]1C 1755684409 KFTDWMJFLZVVFX-WCQYABFASA-N 318.381 -0.590 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C[C@@H](O)CNCc1nnc(C)o1 1755779244 GOJRXXBNEXDNMC-JQWIXIFHSA-N 310.354 -0.675 30 20 DBED C=C[C@@](C)(CC)C(=O)N[C@H](CO)CNC(=O)c1ccc(O)nn1 1756506585 RIZDTMDUGKWLOQ-BONVTDFDSA-N 322.365 -0.009 30 20 DBED C=CCOCC(=O)N1CCC2(C1)CN(C(=O)c1cnn(C)n1)C2 1756833483 OSAFSDUCPRHPNT-UHFFFAOYSA-N 319.365 -0.308 30 20 DBED C=CCCCC(=O)N[C@@H]1CN(C(=O)[C@H](COC)OC)C[C@H]1O 1757030298 KSEFDSYXDDVWSP-UPJWGTAASA-N 314.382 -0.308 30 20 DBED CCCC(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783561118 FLDQOTFHKTUTAN-OAHLLOKOSA-N 308.334 -0.296 30 20 DBED C=CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc[nH]n3)[C@H]2C1 1787223651 QVZLKLWORCBEQQ-SRVKXCTJSA-N 319.365 -0.026 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)n1ccnc1 1793143507 PWHIZMXGEVILNI-XPCVCDNBSA-N 316.361 -0.333 30 20 DBED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(OC)OC)C2 1802017966 SHZFLMZETDEUAS-DABQJJPHSA-N 324.377 -0.392 30 20 DBED N#CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](N)CN)n[nH]1 1818012420 LDFAWJVNCKANHR-ONGXEEELSA-N 319.369 -0.399 30 20 DBED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1840841271 MLIDLKBFTPOOQB-INIZCTEOSA-N 319.361 -0.230 30 20 DBED C#CCNC(=O)CN1CCN(c2c([N+](=O)[O-])ncn2C)CC1 29822643 XLGOZMYMRUSPKV-UHFFFAOYSA-N 306.326 -0.800 30 20 DBED C=CCn1nnnc1SCC(=O)NCC(=O)NC(C)(C)C 52911384 PIQVUDMWOTWBOJ-UHFFFAOYSA-N 312.399 -0.018 30 20 DBED CS(=O)(=O)N1CCN(C(=O)C2(C#N)CCOCC2)CC1 62096468 HJJXVHQCTGZSFX-UHFFFAOYSA-N 301.368 -0.589 30 20 DBED Cn1c(NCC2(CO)CCOCC2)c(C#N)c(=O)n(C)c1=O 164037877 UONWRBNRVJRXDW-UHFFFAOYSA-N 308.338 -0.843 30 20 DBED N#C[C@H]1COCCN1CCC(=O)NC(=O)NCC(F)(F)F 177117055 VASTVZMXRNUKMZ-QMMMGPOBSA-N 308.260 -0.011 30 20 DBED N#Cc1ccc2c(c1)N(C(=O)C(=O)N1C[C@H](O)[C@H](O)C1)CC2 277549162 OCMIFJOIRPUCDG-BETUJISGSA-N 301.302 -0.989 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCCN2CC=CCC2)C1=O 279796896 DWPIUKJFYQOGCK-UHFFFAOYSA-N 320.349 -0.659 30 20 DBED CC(C)Cn1cnc(S(=O)(=O)NCCn2cnc(C#N)n2)c1 285542397 IEDZGIYQLZGOAK-UHFFFAOYSA-N 323.382 -0.019 30 20 DBED C=C[C@H](CO)NC(=O)CNS(=O)(=O)c1ccccc1F 290502708 GEUSZTWIVIUBHU-SECBINFHSA-N 302.327 -0.233 30 20 DBED CNS(=O)(=O)CC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 293890067 ZSZUQMGMLPAIHE-NSHDSACASA-N 324.362 -0.518 30 20 DBED C#CCN(C)CCCNC(=O)N1CCO[C@@H](CC(=O)OC)C1 297609390 WQPBIFSAMHQTBY-ZDUSSCGKSA-N 311.382 -0.085 30 20 DBED CN/C(=N\CCNS(=O)(=O)Cc1ccon1)NC1CC1 304791625 KTXKPWVHSJIXDM-UHFFFAOYSA-N 301.372 -0.579 30 20 DBED C[C@@H]1CN(/C(O)=N/CCn2ccccc2=O)CCS1(=O)=O 328797872 FPHUKKDGRUVKDY-LLVKDONJSA-N 313.379 -0.119 30 20 DBED CN1CCN(C)[C@@H](CN/C(O)=N/CCN2CCSCC2)C1 329470473 YVQGHEYUWFMIPA-ZDUSSCGKSA-N 315.487 -0.215 30 20 DBED CN1CCN(C)[C@H](C/N=C(/O)N2C[C@@H]3OCCN(C)[C@@H]3C2)C1 329967328 WCBGJDFYSASACA-MCIONIFRSA-N 311.430 -0.839 30 20 DBED CN1CCO[C@H](CN(CC2CC2)/C(O)=N/Cc2nnn(C)n2)C1 330221752 LXOXONLCIQKSAZ-LBPRGKRZSA-N 323.401 -0.333 30 20 DBED C=CCN1CC[C@@H](N2CCC(NS(=O)(=O)NC)CC2)C1=O 330903694 CMSQXYOPWIVWQF-GFCCVEGCSA-N 316.427 -0.709 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N1CCC[C@H](S(C)(=O)=O)C1 336933051 CWLNOBHRZPUFJR-MNOVXSKESA-N 323.440 -0.168 30 20 DBED CN(C)CCN(C)CCCN(C)S(=O)(=O)N(C)CCC#N 341906164 XFCBFVRWNDSGID-UHFFFAOYSA-N 319.475 -0.108 30 20 DBED N#CCNC(=O)CNC(=O)C[C@@H]1Oc2ccccc2NC1=O 344189173 YSXQVBPVQYFFHR-NSHDSACASA-N 302.290 -0.468 30 20 DBED C=CCNC(=O)CNC(=O)Cn1c(=O)nc(O)c2ccccc21 348090249 XCEAENCNXXHTIC-UHFFFAOYSA-N 316.317 -0.480 30 20 DBED C=CCNC(=O)CN1CCN(S(=O)(=O)CCCOC)CC1 348159008 VNNFVYRURDRFTK-UHFFFAOYSA-N 319.427 -0.728 30 20 DBED COCC[C@@H](NS(=O)(=O)N(C)C[C@@H](C)C#N)C(=O)OC 352560521 PSXPRRZPEQRJKE-VHSXEESVSA-N 307.372 -0.510 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)c2ncccc2O)CC1 357249186 WYWCAFJTKUKEDE-UHFFFAOYSA-N 304.350 -0.153 30 20 DBED CC#CCNC(=O)N(CC)CC(=O)N[C@@H]1CCS(=O)(=O)C1 361544533 FGSZCYQODYRNPS-LLVKDONJSA-N 315.395 -0.656 30 20 DBED C=C[C@@H](CO)NC(=O)NC[C@@H](N1CCNCC1)C(F)(F)F 418618295 OHMKLNRCFGQAAN-VHSXEESVSA-N 310.320 -0.331 30 20 DBED C[C@@H]1CCCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)[C@H]1C(=O)O 424367387 LVHOPJZAFGVUMU-OUAUKWLOSA-N 317.367 -0.359 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)Cc2ccon2)CC1 490679740 UUUDQDZQVMRTML-UHFFFAOYSA-N 304.350 -0.499 30 20 DBED C#CCN1CCN(C(=O)CN2CCN3C(=O)CC[C@H]3C2)CC1 490898586 LDHHGCNLVKNXOD-AWEZNQCLSA-N 304.394 -0.930 30 20 DBED C#CCN1CCN(C(=O)Cn2c(C)c([N+](=O)[O-])ccc2=O)CC1 491706658 NTHQOJNPVADVQR-UHFFFAOYSA-N 318.333 -0.158 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2csnc2C)CC1 491763732 AYVBNSXFJPYIKV-UHFFFAOYSA-N 306.391 -0.041 30 20 DBED CCOC(=O)NCC(=O)N(CCC#N)CCN1CCOCC1 493158229 PQLFHSMSUHNHGH-UHFFFAOYSA-N 312.370 -0.193 30 20 DBED C=CCCC[C@H](C)NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 579253773 JYXCWWLGTOYZKQ-XQQFMLRXSA-N 322.409 -0.382 30 20 DBED N#Cc1ncn(CCNC(=O)N2CCO[C@H]([C@H]3CCCO3)C2)n1 588215784 DVDDTWQBQRYBTP-NEPJUHHUSA-N 320.353 -0.261 30 20 DBED CN(C)C(=O)[C@@H]1CC[C@H](C(=O)NC[C@@H]2CCCN(CC#N)C2)O1 600817805 TUMYQFIAFLZDHV-MJBXVCDLSA-N 322.409 -0.026 30 20 DBED C[C@H]1[C@@H](C)OCCN1C(=O)C(=O)N1CCN(CCC#N)CC1 601458071 LKFJHSNOXZTUKI-QWHCGFSZSA-N 308.382 -0.320 30 20 DBED C=CCNC(=O)[C@@H](C)OC(=O)[C@@H]1CCCN1S(C)(=O)=O 729627264 KAUXKDAERDKKRW-ZJUUUORDSA-N 304.368 -0.356 30 20 DBED CNC(=O)[C@H](O)CNS(=O)(=O)Cc1cc(C#N)ccc1F 757725317 JKNXUQCGRMFBIM-LLVKDONJSA-N 315.326 -0.776 30 20 DBED C#CCNC(=S)N1CCN(S(=O)(=O)CCCOC)CC1 758250494 FGMPXPXIHKCXNI-UHFFFAOYSA-N 319.452 -0.522 30 20 DBED N#Cc1ccc(S(=O)(=O)NC(=O)[C@@H]2CCNC(=O)C2)cc1 761003766 KFCXPJRPKDCYHD-SNVBAGLBSA-N 307.331 -0.111 30 20 DBED C#CCNS(=O)(=O)c1ccc(C(=O)O[C@@H]2CNC(=O)C2)cc1 770834477 ZLZLEDLTLWIKKU-NSHDSACASA-N 322.342 -0.357 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N[C@H]1CCN(C(=O)CC)C1 783011553 LPWSAPZENUIROV-NSHDSACASA-N 317.411 -0.103 30 20 DBED C#CCNC(=S)N1CCC[C@@H](N2CCCS2(=O)=O)C1 788341286 PPXFJPPDPMBLBM-LLVKDONJSA-N 301.437 -0.006 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@H](C)CN1CCCC1=O)[C@@H]1CCCO1 803119443 AOPKNDZSPVCFLH-AGIUHOORSA-N 321.377 -0.590 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C)[C@@H]1CCCO1 809313541 VLFLGGVPUITNTQ-MHEUCROKSA-N 319.405 -0.118 30 20 DBED CN(C)CC#CCNC(=O)[C@@H]1CCCCN1S(C)(=O)=O 823675048 XHVAYCIQJRNIHU-LBPRGKRZSA-N 301.412 -0.518 30 20 DBED C#CCN1CCN(C(=O)CN2CCC3(CC2)C[C@H]3C(=O)O)CC1 825619314 KKPYHWVFNDJFGR-AWEZNQCLSA-N 319.405 -0.050 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@](C)(C#N)CC)CC1 831574653 LABRVFHQMYPWKD-ZDUSSCGKSA-N 312.395 -0.462 30 20 DBED C#CCC[C@@H](C)OC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 839033425 CZFVSAXMQKWGEE-SNVBAGLBSA-N 318.333 -0.221 30 20 DBED COCCNCCNC(=O)NCCNc1ncccc1C#N 841737337 HHVKGQPQEDIFCT-UHFFFAOYSA-N 306.370 -0.100 30 20 DBED C=CCONC(=O)C(=O)Nc1cnn(C(C)(C)C(=O)OC)c1 850466275 MTCBDRUWEKWOKR-UHFFFAOYSA-N 310.310 -0.037 30 20 DBED C#CCOCCN(CC)CC(=O)N[C@H]1CCS(=O)(=O)C1 851719071 UNRXUDSUHZMXHT-LBPRGKRZSA-N 302.396 -0.739 30 20 DBED COC(=O)Cn1cc(CN2CCN(C3CC3)[C@H](C#N)C2)nn1 877662350 POQSCANJEPAGBQ-CYBMUJFWSA-N 304.354 -0.377 30 20 DBED C#CCNC(=O)CN1CCC[C@H]1CNC(=O)c1cnn(C)c1 879190769 UDGZCUHDWNHCCB-ZDUSSCGKSA-N 303.366 -0.636 30 20 DBED C#CCN1CCC[C@H](NC(=O)NCCS(=O)(=O)CC=C)C1 884262622 PLMKTUMDCDUVPK-ZDUSSCGKSA-N 313.423 -0.016 30 20 DBED C#CC1(O)CN(C(=O)[C@H](O)[C@H](O)c2nc3ccccc3s2)C1 890524374 LPTLQQDXRGNIKM-NWDGAFQWSA-N 318.354 -0.103 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N(CCOC)CCC(=O)O 904935971 GCVGNPRQKMDJFL-UHFFFAOYSA-N 308.334 -0.579 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@H]3[C@H](CCN3C(=O)C(N)=O)C2)[nH]1 945933684 ZBHZBEKNMPFTAE-SKDRFNHKSA-N 315.333 -0.565 30 20 DBED N#CCN1CCOC2(CCN(C(=O)c3nccnc3N)CC2)C1 949323123 UYSUMVSLYQPRKT-UHFFFAOYSA-N 316.365 -0.111 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H]1CNC(=O)c1c[nH]c(=O)cn1 956191187 XFEPHMPPRFNWRR-UWVGGRQHSA-N 303.322 -0.350 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cn(C)nc2C2CC2)C1 958100753 GNSUPPGFXFNNBC-GXTWGEPZSA-N 302.378 -0.047 30 20 DBED N#CCN1C[C@H](O)[C@H](CNC(=O)c2cn3cccnc3n2)C1 958215224 URXHBZFMISSPFU-PWSUYJOCSA-N 300.322 -0.725 30 20 DBED Cn1cnnc1CN1C[C@H]2C(NC(=O)c3c[nH]c(C#N)c3)[C@@H]2C1 958586284 HLUCQGLSBPGZIU-VXGBXAGGSA-N 311.349 -0.125 30 20 DBED CS(=O)(=O)CCN1C[C@H]2[C@H](NC(=O)c3ccc(C#N)[nH]3)[C@H]2C1 958601789 LELWVTAXXDRRCP-PJXYFTJBSA-N 322.390 -0.409 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2c(C)nn3cccnc23)C1 958692427 AFLIGIKNWBQVTG-QWHCGFSZSA-N 313.361 -0.307 30 20 DBED C#CCCN1C[C@H]2C(NC(=O)[C@H]3CCc4nnnn4CC3)[C@@H]2C1 961851751 YOUOBGXLBIPALV-YNEHKIRRSA-N 314.393 -0.305 30 20 DBED C=CCn1cc(C(=O)N2CCOC3(CN(C(=O)CC)C3)C2)nn1 965380664 KCWJSDLAXDAZMG-UHFFFAOYSA-N 319.365 -0.073 30 20 DBED C=C1CC(C)(C(=O)N2CC3(CN(C(=O)C(N)=O)CCO3)C2)C1 965473135 QRQRQONTYKMBCN-UHFFFAOYSA-N 307.350 -0.732 30 20 DBED C=CCn1cc(C(=O)N2CC3(C[C@@H](NC(C)=O)CO3)C2)nn1 965583428 UZXYXSAXITXNQK-LLVKDONJSA-N 305.338 -0.416 30 20 DBED CC#CCN1CC[C@H](C)[C@H](NC(=O)Cn2nc(C)n(C)c2=O)C1 968602052 OUTOESVUVPNAOG-GXTWGEPZSA-N 319.409 -0.260 30 20 DBED C[C@@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)[C@@]1(C)CCNC1=O)C2 969812294 XKXPNSYCPZRVBI-YWDSYVAPSA-N 318.377 -0.126 30 20 DBED Cc1ncc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)n1C 969958393 UCWCUADDAIMALU-XRNSZHNASA-N 305.338 -0.810 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@]1(C)CCNC1=O 970002707 ZCSAHOOTSBYSDI-OVZMXSCWSA-N 318.377 -0.126 30 20 DBED N#CCN1CCO[C@@]2(CCN(C(=O)C[C@H]3CCNC3=O)C2)C1 972406792 COEOVPUYBXMWEF-DOMZBBRYSA-N 306.366 -0.661 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)Cn2cncn2)C1 974412034 WHHHXZXWSZISBE-XQHKEYJVSA-N 319.365 -0.367 30 20 DBED C#CCN1C[C@H]2[C@H](CNC(=O)[C@@H]3CCc4nnc(O)n4C3)[C@H]2C1 978410147 OBZJAJLXCLQOQG-LPWJVIDDSA-N 315.377 -0.527 30 20 DBED C#CCN1C[C@H]2[C@H](CNC(=O)c3cn([C@@H]4CCOC4)nn3)[C@H]2C1 978968657 LXGHVMDVIGRFKU-SYQHCUMBSA-N 315.377 -0.220 30 20 DBED C[C@@H](NCc1nncn1C)[C@H]1CN(C(=O)C#CC2CC2)CCO1 979332755 LPSBKMAOCVRJFN-TZMCWYRMSA-N 317.393 -0.066 30 20 DBED N#Cc1c[nH]c(C(=O)N2C[C@@H]3CC[C@H](NC(=O)C(N)=O)[C@H]3C2)c1 979768628 FLPSSEYUHPUSMT-DCAQKATOSA-N 315.333 -0.662 30 20 DBED N#CCN[C@@H]1CCC[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)C1 981457483 PDZKUKTXNHASNE-ZJUUUORDSA-N 315.337 -0.428 30 20 DBED C#CCN(C)C1CCN(C(=O)c2nccnc2C(N)=O)CC1 985784862 WRSFJXQHEVKDIX-UHFFFAOYSA-N 301.350 -0.255 30 20 DBED O=C(N[C@@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1O)C1=CCOCC1 991422845 IEQOTWODEGUKGE-CABCVRRESA-N 318.373 -0.176 30 20 DBED C[C@H](C#N)C(=O)N1CC(NC(=O)Cc2nc3ncccn3n2)C1 991727817 MBDCUQXZWKWFMJ-SECBINFHSA-N 313.321 -0.847 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NC1CN(C(=O)Cn2nccn2)C1 992066127 DTYXFPPUSQQLTB-OLZOCXBDSA-N 319.365 -0.414 30 20 DBED CN1CC[C@H](C(=O)NC2CN(C(=O)C#CC3CC3)C2)CC1=O 995121259 OJBZFLBCTUWFQE-LBPRGKRZSA-N 303.362 -0.405 30 20 DBED CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N(C)C2CC(NCC#N)C2)O1 999396468 DGFBJIOYFLRFJU-IFWUJCSASA-N 308.382 -0.275 30 20 DBED CN1C[C@@H](C(=O)NC2(C3CCN(CC#N)CC3)CC2)NC1=O 1000233041 UCIOIOYEHZYHQY-LBPRGKRZSA-N 305.382 -0.106 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](NC(=O)C(N)=O)C(C)(C)C1 1008525428 CUMIWYKRVIZFDQ-SRVKXCTJSA-N 323.393 -0.194 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](NC(=O)C(N)=O)C(C)(C)C1 1008525429 CUMIWYKRVIZFDQ-TUAOUCFPSA-N 323.393 -0.194 30 20 DBED C=CCN1CC[C@H](N2CC[C@@H](NC(=O)Cn3cccn3)C2)C1=O 1010210760 FAFPJERNQJZBLO-KGLIPLIRSA-N 317.393 -0.140 30 20 DBED CS(=O)(=O)CCN1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 1010644816 QMCVKDSISLFDCS-LLVKDONJSA-N 310.379 -0.265 30 20 DBED C#Cc1cncc(C(=O)N2C[C@H](NC(=O)C(N)=O)C[C@@H]2C)c1 1014047391 XSFQFDZNVWRSLO-JOYOIKCWSA-N 300.318 -0.733 30 20 DBED COCC(=O)N1CCO[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21 1019879635 MHGNTZJJJLYTPC-UONOGXRCSA-N 306.362 -0.126 30 20 DBED C=CCN1CC[C@@H](N[C@H]2C[C@H](NC(=O)[C@@H]3CCNC3=O)C2)C1=O 1020467508 BASQLRQNFZFZEJ-FDYHWXHSSA-N 320.393 -0.854 30 20 DBED C=C(C)CN[C@H]1C[C@@H](NC(=O)Cn2ncn3nccc3c2=O)C1 1022801629 HUZNOUDTAXGXLI-TXEJJXNPSA-N 316.365 -0.296 30 20 DBED C#CCN1CC[C@@H](CNC(=O)c2nc(O)nc(O)c2OC)C1 1028926146 JWFLRCZQGQIIFU-VIFPVBQESA-N 306.322 -0.419 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)C3CCN(C)CC3)C2)C1=O 1030891455 CTDLYDMIJSZETF-HNNXBMFYSA-N 320.437 -0.085 30 20 DBED N#Cc1cc(C(=O)NC[C@H]2CN(Cc3cnon3)CCO2)c[nH]1 1035338421 JOXMVLTUOVUFGV-ZDUSSCGKSA-N 316.321 -0.100 30 20 DBED CC#CCN1CCO[C@@H](CNC(=O)c2cccc(C(N)=O)n2)C1 1035624007 GNRCXSSNNOMAKQ-LBPRGKRZSA-N 316.361 -0.366 30 20 DBED CC(C)C#CC(=O)NC[C@]1(O)CCN(C(=O)c2cn[nH]c2)C1 1039664663 VIGNWPPKLHYGCA-OAHLLOKOSA-N 304.350 -0.238 30 20 DBED C#CCOCCC(=O)NC[C@@]1(O)CCN(C(=O)CCOC)C1 1039719018 LPKZKLDDAAXJLC-HNNXBMFYSA-N 312.366 -0.858 30 20 DBED C#CCOCCC(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2C[C@H]2C)C1 1039722523 WWQMMPRZQXGKKX-XJKCOSOUSA-N 308.378 -0.238 30 20 DBED C#CCN1[C@H]2CCC[C@H]1CN(C(=O)C1CC(=O)NC(=O)C1)C2 1039943961 PMRQSJWTAQHJTI-STQMWFEESA-N 303.362 -0.262 30 20 DBED Cc1ccnn1CC(=O)N1CC[C@](O)(CNC(=O)[C@H](C)C#N)C1 1040760850 AHSXADYRURLAPR-ABAIWWIYSA-N 319.365 -0.569 30 20 DBED Cc1ccnc(C(=O)N2CC[C@](O)(CNC(=O)[C@@H](C)C#N)C2)n1 1040763483 PCQLECXFLZZQIT-BONVTDFDSA-N 317.349 -0.362 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC(O)(CNC(=O)[C@H]3CCCO3)C2)c1 1041349627 JBWPNUYFLYIUTA-GFCCVEGCSA-N 318.333 -0.632 30 20 DBED CSCC(=O)NCC1(O)CN(C(=O)c2cc(C#N)c[nH]2)C1 1041359679 QIPSRZPQORYVKE-UHFFFAOYSA-N 308.363 -0.448 30 20 DBED CCc1cc(C(=O)NCC2(O)CN(C(=O)[C@@H](C)C#N)C2)n[nH]1 1041592993 FZYHDCBBGGTGHR-VIFPVBQESA-N 305.338 -0.565 30 20 DBED CC#CCCCC(=O)N1CC(O)(CNC(=O)c2ccnn2C)C1 1041920635 ZTYGAHAEZLQXGM-UHFFFAOYSA-N 318.377 -0.083 30 20 DBED C#CCN1CC[C@H]2CCN(C(=O)CN3CCN(C)C(=O)C3)C[C@H]21 1042121041 DEGOEZBQYLVBSN-LSDHHAIUSA-N 318.421 -0.684 30 20 DBED C[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1NC(=O)Cc1nc[nH]n1 1042190900 IFJYRTDMDPIRBU-MWLCHTKSSA-N 312.337 -0.350 30 20 DBED C#CCN1CC[C@H]2CCN(C(=O)C3CC(=O)NC(=O)C3)C[C@H]21 1042268399 CSYFOHSMRNWTRQ-WCQYABFASA-N 303.362 -0.405 30 20 DBED C#CCCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCOC2)C1 1042658368 FLLPJOZTCHNSGT-CYBMUJFWSA-N 308.378 -0.094 30 20 DBED CCc1n[nH]cc1C(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042965103 UXGSZIKXDIROGG-UHFFFAOYSA-N 316.361 -0.311 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)C[C@H]2CCCO2)C1 1043033211 UGEQTXYVHIWYDC-CYBMUJFWSA-N 324.377 -0.715 30 20 DBED COCC[C@@H](C)C(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1043166882 JXIIZAVLSPIHIS-GFCCVEGCSA-N 308.378 -0.238 30 20 DBED C=CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)c2[nH]nnc2C)C1 1043575328 JQQDFRGWNDFCMY-SNVBAGLBSA-N 323.353 -0.993 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCN(C)C(=O)C2)C1 1043789784 RHTJHDAUHBZNMM-GFCCVEGCSA-N 323.393 -0.490 30 20 DBED C#CCCN1CC(N(C)C(=O)C2CC3(C2)NC(=O)NC3=O)C1 1044039933 UVNRNVZDPRTJDO-UHFFFAOYSA-N 304.350 -0.860 30 20 DBED C#CCN1CC[C@@H](N2CCN(C(=O)C[C@H]3CCNC3=O)CC2)C1 1046035560 PBKRKKVTOSEYJB-HUUCEWRRSA-N 318.421 -0.636 30 20 DBED CN(C(=O)c1ccc2c(n1)OCCO2)[C@H]1CN(CC#N)C[C@@H]1O 1047442255 WIZADCMMVDDFNB-RYUDHWBXSA-N 318.333 -0.507 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCNC2=O)C1 1047482512 AQJSXSQJILMPEN-VWYCJHECSA-N 301.774 -0.622 30 20 DBED C#CCCCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CNC(N)=O)C2 1047491259 LJMDMWPKTVCJPB-XQQFMLRXSA-N 320.393 -0.046 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)C(=O)N2CCC[C@H](C)C2)C1 1047554824 LYDAZXAMJUHOCI-KKUMJFAQSA-N 321.421 -0.228 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C(N)=O)nc2)C1 1047648435 OGPPMPRCYKWZPW-KBPBESRZSA-N 316.361 -0.679 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2ncoc2C)C1 1048432925 OAEAGFCTAQIYFB-RYUDHWBXSA-N 323.349 -0.171 30 20 DBED C=CCOCC(=O)N(C)[C@H]1CN(C(=O)c2ccncc2)C[C@@H]1O 1048551709 OSBUCNKMNFAHOQ-KBPBESRZSA-N 319.361 -0.072 30 20 DBED CCN(CC)CC(=O)N(C)[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 1048880857 SROPXPMXIZWOLX-GJZGRUSLSA-N 321.421 -0.228 30 20 DBED C=C(C)CN1CCOC[C@H]1CNC(=O)c1cc(=O)n(C)cn1 1050962202 GDGGNNZULXDTKZ-GFCCVEGCSA-N 306.366 -0.213 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H]1CN(C(=O)C(F)F)C[C@H]1C 1051707657 SQAXGOLWNKDZMI-ZJUUUORDSA-N 315.320 -0.398 30 20 DBED C#CCN1CCN([C@@H]2CCN(C(=O)c3ncn(C)n3)C2)CC1 1052023561 UDGWWJPWDIJCEG-CYBMUJFWSA-N 302.382 -0.720 30 20 DBED C[C@@H]1CN(C(=O)CC(N)=O)C[C@@H]1CNC(=O)CSCC#N 1052259968 UKLYBHWLMOCGDC-ZJUUUORDSA-N 312.395 -0.671 30 20 DBED CC(=O)N1CCO[C@@H](C(=O)N[C@H]2CCCN(CC#N)CC2)C1 1052906162 SEBQIPGBPDNVHX-UONOGXRCSA-N 308.382 -0.272 30 20 DBED Cn1cncc1CC(=O)N1CCN(c2ccnc(C#N)n2)CC1 1055860372 YLHAOXRJNBVXRI-UHFFFAOYSA-N 311.349 -0.027 30 20 DBED C[C@@H](C#N)C(=O)N[C@]1(CO)CCCN(C(=O)c2cncnc2)C1 1056094074 PQTXYXNDPZDVSI-XHDPSFHLSA-N 317.349 -0.280 30 20 DBED CN1CCC[C@@H]1C(=O)NC1[C@@H]2CN(c3ccc(C#N)nn3)C[C@@H]12 1056150619 UNIFBWBIEPJKTO-JHJVBQTASA-N 312.377 -0.007 30 20 DBED N#Cc1cnc(N2C[C@H]3C(NC(=O)Cn4nccn4)[C@@H]3C2)cn1 1056315876 MAPDBZYCMLDQSW-GHMZBOCLSA-N 310.321 -0.809 30 20 DBED N#Cc1nccnc1N1C[C@@H]2C(NC(=O)[C@@H]3[C@H]4COC[C@H]43)[C@H]2C1 1056365197 IWZMJUPSXRMTDG-HKLXJQGRSA-N 311.345 -0.209 30 20 DBED CC[C@H](OC)C(=O)N(CCO)CCNC(=O)c1ccc(C#N)[nH]1 1057154111 QEVSOHCERVJASO-ZDUSSCGKSA-N 322.365 -0.138 30 20 DBED CC(C)(C)C#CC(=O)NCCN(CCO)C(=O)Cc1cnc[nH]1 1058948296 SHXSMBZEUXEZFM-UHFFFAOYSA-N 320.393 -0.061 30 20 DBED C[C@@]1(C(=O)N[C@H]2C[C@H](N=c3cc[nH]c(C#N)n3)C2)CCNC1=O 1059409847 CABXLROKBLKMLJ-IQMDTDKHSA-N 314.349 -0.645 30 20 DBED C[C@H](NC(N)=O)C(=O)N1CC[C@H](CCNC(=O)C#CC2CC2)C1 1059534767 QAULTPHVKSJSLT-AAEUAGOBSA-N 320.393 -0.189 30 20 DBED C#CCNC(=O)CC(=O)N1CCOC[C@H]1CNC(=O)CCC=C 1061408489 WCEGTEQVMRWOSW-CYBMUJFWSA-N 321.377 -0.564 30 20 DBED N#CCSCC(=O)N1CCOC[C@H]1CNC(=O)c1cocn1 1061419007 FNZWSZQRJHEKEX-SNVBAGLBSA-N 324.362 -0.111 30 20 DBED C=CCCC(=O)N1CCOC[C@@H]1CNC(=O)c1cn(C)nn1 1061556235 RVSNGQWBVRGJAU-NSHDSACASA-N 307.354 -0.262 30 20 DBED N#Cc1cnc(N2C[C@@H]3C[C@H]2CN3C(=O)CCn2cncn2)cn1 1062438069 FCFSHCZHYFZKAK-STQMWFEESA-N 324.348 -0.180 30 20 DBED CC(C)(C(N)=O)C(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(C#N)n1 1062539395 MAXAEFDQLVBQNP-UWVGGRQHSA-N 314.349 -0.351 30 20 DBED N#Cc1nccnc1N1CCO[C@@H](CNC(=O)c2cc[nH]n2)C1 1063610064 CEYWCDNONNRCJF-JTQLQIEISA-N 313.321 -0.293 30 20 DBED N#Cc1ccc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)Cc2nc[nH]n2)nn1 1064294235 LDAGXZXKCIDALZ-YACGNSKGSA-N 310.321 -0.598 30 20 DBED C=CCCOCC(=O)NC[C@H]1CN(C(=O)COC)CCO1 1064756626 MPYYIZLPFGAHNM-LBPRGKRZSA-N 300.355 -0.431 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(C(=O)Cn2cccn2)CCO1 1064854859 JTIQQIABLZJQIT-AWEZNQCLSA-N 316.361 -0.360 30 20 DBED C=CCCCC(=O)NC[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2)CCO1 1064973928 IFLUIZIMBKJSEK-CHWSQXEVSA-N 323.393 -0.035 30 20 DBED COc1cc(C(=O)N2CCO[C@@H](CNC(=O)[C@@H](C)C#N)C2)on1 1065067780 PEPYGQFBJUUSPQ-UWVGGRQHSA-N 322.321 -0.200 30 20 DBED Cc1cn(C)nc1C(=O)N1CCO[C@@H](CNC(=O)[C@H](C)C#N)C1 1065138015 HOYRDPYVVINERA-PWSUYJOCSA-N 319.365 -0.155 30 20 DBED C#CCOCCC(=O)N1CCO[C@H](CNC(=O)[C@H](C)C#N)C1 1065150107 LNVVDBUPFOKPNH-CHWSQXEVSA-N 307.350 -0.470 30 20 DBED NC(=O)NCC(=O)N1CCC[C@H](NC(=O)C#CC2CC2)CC1 1066150373 DMIMLXRENZLFQW-LBPRGKRZSA-N 306.366 -0.435 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)CCCN(C)C(=O)Cc1nc[nH]n1 1067431306 OWQMDQQYXNQHJE-LBPRGKRZSA-N 321.381 -0.308 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H]1CCC2(CN(C(=O)COC)C2)O1 1068574197 ZJZLZSFMLZUVPW-QWHCGFSZSA-N 324.377 -0.453 30 20 DBED CO[C@@H](C)C(=O)N[C@@H]1COC2(C1)CN(C(=O)C#CC1CC1)C2 1068732036 HLGCBHPSUBLYAH-AAEUAGOBSA-N 306.362 -0.079 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1COC2(C1)CN(C(=O)C1=COCCO1)C2 1069004701 YOKYRMUKALJSNR-GHMZBOCLSA-N 321.333 -0.480 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2cncnc2C)C[C@@H]1n1ccnn1 1070149080 MVHOLKYKIXIWSG-KGLIPLIRSA-N 311.349 -0.335 30 20 DBED C#CCN[C@@H]1CN(C(=O)Cn2ccc(C)n2)C[C@@H]1n1ccnn1 1070277230 IUTOGHKFPWIZSS-KGLIPLIRSA-N 313.365 -0.542 30 20 DBED CC(C)(C)C#CC(=O)N1CCC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1 1070712223 LUMMZTAKVNXYCG-NEPJUHHUSA-N 320.393 -0.176 30 20 DBED C=CCCN1CCNC(=O)CCN(C(=O)[C@H]2COC(=O)N2)CC1 1070958878 YAMHSLZIJSUMFI-GFCCVEGCSA-N 324.381 -0.679 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCC(=O)NCCN(CC)CC1 1070970406 DERRJCLGMSISIF-HNNXBMFYSA-N 320.437 -0.246 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)c2cnnc(O)c2)CC1 1070971792 RPYMTCVZQPWMGX-UHFFFAOYSA-N 319.365 -0.368 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)Cn2ccc(C)n2)CC1 1070999839 CHMPTVVIAYEVQF-UHFFFAOYSA-N 317.393 -0.525 30 20 DBED C[C@H]1CC[C@H](NC(=O)CN2CCN(C)C(=O)C2)CN1CC#N 1071623246 TYOFECCCKIZJJK-STQMWFEESA-N 307.398 -0.747 30 20 DBED C#CCCN1CCC2(C1)CN(C(=O)CN1CCN(C)C(=O)C1)C2 1072874854 GLUYAPGSAHZJRJ-UHFFFAOYSA-N 318.421 -0.682 30 20 DBED C#CCOCCC(=O)N1CC[C@H](NC(=O)CNC(N)=O)[C@H](C)C1 1073704523 JCFXMYYDHUHZGL-NEPJUHHUSA-N 324.381 -0.952 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)c1ocnc1C 1076057084 XIFVDSRQCFXNLD-JTQLQIEISA-N 320.349 -0.253 30 20 DBED C[C@@H](CCNC(=O)c1c[nH]c(C#N)c1)NC(=O)[C@@H]1COC(=O)N1 1076215697 REDRQLRPIMZKHU-KWQFWETISA-N 319.321 -0.381 30 20 DBED CC#CCN1C[C@@H]2CCN(C(=O)CN3CC(=O)NC3=O)[C@@H]2C1 1076369361 SUOPYFNMKDIODF-NWDGAFQWSA-N 304.350 -0.906 30 20 DBED C#CCOCCC(=O)NCC[C@H](C)NC(=O)[C@@H](C)n1cncn1 1076504165 OGUCMVUQAVGHEW-QWHCGFSZSA-N 321.381 -0.110 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCN(C(C)=O)C2)C1 1078088388 QATIJQWJXCMCKN-YNEHKIRRSA-N 315.801 -0.231 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2Cc3cccc(F)c3O2)C1 1078207460 ZETCKYRVLAUJQV-MCIONIFRSA-N 304.321 -0.076 30 20 DBED CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)[C@@H]2CC(=O)N(C)C2)C1 1080420065 MPQQMFNSHSTEBA-GHMZBOCLSA-N 306.366 -0.316 30 20 DBED CSCC(=O)NC[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1O 1081236275 AAFWWZZFQRIWHD-PWSUYJOCSA-N 322.390 -0.202 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)CCN(C)C)C[C@H]1O 1081466365 SFGSTJYUSRTZMS-UONOGXRCSA-N 309.410 -0.467 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(C(=O)c2cnns2)C[C@H]1O 1081468352 IQZZFGJUMZNSPM-WDEREUQCSA-N 320.374 -0.499 30 20 DBED Cn1ccc(C(=O)N2C[C@@H](O)[C@H](CNC(=O)C#CC3CC3)C2)n1 1081473737 KESMAKIEFDQDMU-TZMCWYRMSA-N 316.361 -0.617 30 20 DBED C#CCCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2ccn(C)n2)C1 1081495752 AKZGAZVESGTNFY-GXTWGEPZSA-N 318.377 -0.227 30 20 DBED C=C(C)CCN1C[C@@H](NC(=O)Cn2cnnc2O)[C@H](OC)C1 1081565870 RCJBBCLUFYMCBZ-VXGBXAGGSA-N 309.370 -0.235 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CN2CCC1CC2 1083083716 HYVNNFGSAQYHPD-HRCADAONSA-N 303.406 -0.127 30 20 DBED C=CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cc(=O)n(C)cn1 1083109966 DVCDXFFLWTXJAS-UONOGXRCSA-N 318.377 -0.118 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)c2ccc(CNC(N)=O)cc2)C1 1084043550 ZOBHXJHRQGOCSO-KGLIPLIRSA-N 318.377 -0.184 30 20 DBED C=C(C)CN1CC[C@H]1CN(C)C(=O)[C@@H]1CCS(=O)(=O)N1 1085977446 VPMUJAFYQYOBAD-RYUDHWBXSA-N 301.412 -0.213 30 20 DBED COCCn1ncc(C(=O)N[C@@H]2CCN(CC#N)C[C@H]2O)c1C 1090259326 TYJXSMYTVATHRA-ZIAGYGMSSA-N 321.381 -0.474 30 20 DBED N#CCN1CC[C@H](NC(=O)c2cnc3nccn3c2)[C@@H](O)C1 1090431455 YDYNOKHEPSABIR-RYUDHWBXSA-N 300.322 -0.582 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2cn(C)nc2OC)[C@H](O)C1 1090487524 WDHIYXAMOKWWSC-QWHCGFSZSA-N 306.366 -0.383 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@H]1O 1090490090 KVPDCBGYBKUWTO-UXIGCNINSA-N 314.345 -0.343 30 20 DBED COCC1(C(=O)N[C@@H]2CN(c3ccnc(C#N)n3)C[C@H]2O)CC1 1090506317 BIWMBAOACRCSSZ-GHMZBOCLSA-N 317.349 -0.559 30 20 DBED Cn1nnc2c1C[C@H](C(=O)NCC1CC(NCC#N)C1)CC2 1091203283 PCJHZXFAHYGQFR-MOENNCHZSA-N 302.382 -0.072 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCN(c2cc(C)ncn2)C[C@@H]1O 1092164747 OLFAYKYUXHIBAV-KGLIPLIRSA-N 318.377 -0.119 30 20 DBED N#Cc1cc([N+](=O)[O-])ccc1NCCNC(=O)Cn1cnnn1 1093505793 WRHRAJSZZQYSRU-UHFFFAOYSA-N 316.281 -0.319 30 20 DBED CNS(=O)(=O)CC(=O)NCCNc1nc(C)ccc1C#N 1093661152 MZHCBEPAZMLBSE-UHFFFAOYSA-N 311.367 -0.661 30 20 DBED C#CCOCCC(=O)NCCCNc1ccc2nnnn2n1 1094593512 ARIXWOFNRHSXCQ-UHFFFAOYSA-N 303.326 -0.523 30 20 DBED N#Cc1nc(=NCCCNC(=O)[C@@H]2CCCNC2=O)cc[nH]1 1094628341 SBYATWNXEQUDJC-SNVBAGLBSA-N 302.338 -0.785 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)c3ccc(C)n3C)CC2=O)C1 1094701444 PPROERBYCTXTKU-ZDUSSCGKSA-N 314.389 -0.018 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)c3cnc(C)n3C)CC2=O)C1 1094776967 KQKJOPNKJVAZKH-LBPRGKRZSA-N 315.377 -0.623 30 20 DBED CCc1nc[nH]c1C(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1 1094810980 HANTXGDLOUIUFD-SNVBAGLBSA-N 316.365 -0.489 30 20 DBED N#Cc1ccc(N[C@H](CNC(=O)[C@@H]2CCNC2=O)C2CC2)nn1 1096782595 FAOLCVRLUHGVQL-VXGBXAGGSA-N 314.349 -0.209 30 20 DBED N#Cc1cncc(N[C@H]2CCN(C(=O)C(=O)NCC(F)F)C2)n1 1096967203 MMSNPVFAJCLAPG-QMMMGPOBSA-N 324.291 -0.258 30 20 DBED CC(=O)N1CC(C(=O)NC[C@@H](C)Nc2cnc(C#N)cn2)C1 1097779497 KYBZYSNYHVESJN-SECBINFHSA-N 302.338 -0.257 30 20 DBED CCc1nc(C#N)cc(N[C@H](C)CNC(=O)[C@H]2CCNC2=O)n1 1098212328 ZTHSDCGDCOQVKB-KOLCDFICSA-N 316.365 -0.037 30 20 DBED COCC(=O)NCCC(=O)NC[C@@H](C)Nc1ccc(C#N)nn1 1098329653 KQKGGUSSIBGWJZ-SNVBAGLBSA-N 320.353 -0.582 30 20 DBED CNC(=O)NCC(=O)NC[C@H](C)Nc1ncc(C#N)cc1F 1098339260 XCVQKYDZISYHGR-QMMMGPOBSA-N 308.317 -0.062 30 20 DBED C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)Cn1c(O)nnc1O 1099325760 XLYGPMFTHQIQKK-LLVKDONJSA-N 321.381 -0.071 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)CN(C)S(C)(=O)=O)[C@H](O)C1 1099861393 RNJPLPZNPTZWNL-NWDGAFQWSA-N 319.427 -0.995 30 20 DBED COCC#CCN1CC[C@H](NC(=O)Cc2ccc[nH]2)[C@@H](O)C1 1100115030 XZXYQLBWQJGAOH-GJZGRUSLSA-N 305.378 -0.242 30 20 DBED C=CCCOCC(=O)N[C@@H]1CCN(Cc2n[nH]c(C)n2)C[C@H]1O 1100139513 RWKOZONRFGBULV-CHWSQXEVSA-N 323.397 -0.243 30 20 DBED C=CCNC(=O)CNC1CC(CNC(=O)Cn2cncc2C)C1 1100509572 NKRPECLLTVZYHK-UHFFFAOYSA-N 319.409 -0.022 30 20 DBED COC[C@@H](OC)C(=O)NC[C@@H]1CCN(c2cnc(C#N)cn2)C1 1101050511 JPYITJYSKJNTAF-WCQYABFASA-N 319.365 -0.048 30 20 DBED N#Cc1cncc(N2[C@H]3CC[C@H]2CN(C(=O)CNC(N)=O)C3)n1 1102183905 JLOFLCOYMMLPTL-QWRGUYRKSA-N 315.337 -0.804 30 20 DBED N#Cc1nccnc1N1CCC[C@H](CCNC(=O)C(N)=O)C1 1102941271 DKATVBFUVJSUPG-SNVBAGLBSA-N 302.338 -0.444 30 20 DBED Cc1cc(C#N)nc(NC[C@@](C)(NC(=O)C(N)=O)C2CC2)n1 1103565977 MOAFDUFYWJGEMG-CQSZACIVSA-N 302.338 -0.161 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)c1cnn(C)n1 1104019481 ZNGJYTDJBRUAEI-SECBINFHSA-N 300.326 -0.623 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)CO[C@@H]1CCOC1 1104099000 GMHJOXRQCHVUKA-VXGBXAGGSA-N 319.365 -0.260 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(c2nccnc2F)CCO1 1104330430 OZVHXWFTWPIRDJ-GFCCVEGCSA-N 322.340 -0.023 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)C2=COCCO2)nn1 1105715004 JVWMFIHNBFNLLO-JTQLQIEISA-N 305.294 -0.875 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)C[C@H]2COC(=O)C2)nc1 1105819152 BHNKGMLSZIMCIX-VXGBXAGGSA-N 318.333 -0.205 30 20 DBED Cc1ccc(C(=O)NC[C@@H](O)CN=c2cc[nH]c(C#N)n2)nn1 1105826676 JKFOSXYOOGWSAY-JTQLQIEISA-N 313.321 -0.929 30 20 DBED CCC(=O)N[C@H](C)C(=O)NC[C@@H](O)CNc1ccc(C#N)nn1 1106140576 MCSBEDILYTVTHX-KOLCDFICSA-N 320.353 -0.848 30 20 DBED CCN(CCNc1cncc(C#N)n1)C(=O)Cn1nccn1 1106859399 XNZPZHCHJQWMMA-UHFFFAOYSA-N 300.326 -0.100 30 20 DBED Cn1cccc(C(=O)NC/C=C\CN=c2cc[nH]c(C#N)n2)c1=O 1107270383 AQGJJYHCXHEVGZ-IHWYPQMZSA-N 324.344 -0.133 30 20 DBED N#Cc1nc(=NC/C=C/CNC(=O)c2cnnc(O)c2)cc[nH]1 1107385655 TZQMHFSQKINHEM-OWOJBTEDSA-N 311.305 -0.336 30 20 DBED C[C@H](C#N)C(=O)NC[C@@]1(C)CN(Cc2cn(C)nn2)CCO1 1107821445 PASKUJQNBZHKBW-RISCZKNCSA-N 306.370 -0.318 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)CCn2cnccc2=O)C1 1108312703 OHDRAAZWGYIJCQ-INIZCTEOSA-N 318.377 -0.526 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)C2(C(=O)N(C)C)CC2)C1 1108334541 MQIYHNAAKIDCTH-HNNXBMFYSA-N 307.394 -0.305 30 20 DBED CNC(=O)NC(C)(C)C(=O)N[C@@H](C)CNc1nccnc1C#N 1108405605 JXVWVLCWCUNPJR-VIFPVBQESA-N 319.369 -0.028 30 20 DBED CNC(=O)CC(=O)N1C[C@H]2C[C@@H](NCC#CCOC)C[C@H]1C2 1108668970 DTKZHRQMPSXWKO-BFHYXJOUSA-N 307.394 -0.259 30 20 DBED C#CCNC(=O)CN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cnon1)C2 1108781094 PMMVOTAOCSLPJU-TUAOUCFPSA-N 317.349 -0.598 30 20 DBED CC#CCN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1c(O)nnc1O)C2 1108810336 VXMWDXLGDNINIT-SRVKXCTJSA-N 319.365 -0.318 30 20 DBED CC(=O)N[C@@H](C)C(=O)N[C@H](C)CN(C)c1cnc(C#N)cn1 1108818575 ORYSZHVFNQBTPW-ZJUUUORDSA-N 304.354 -0.186 30 20 DBED C[C@H](CN(C)c1ccc(C#N)nn1)NC(=O)[C@@H]1CN(C)CCO1 1108904976 GBANAHLKFBANMM-YPMHNXCESA-N 318.381 -0.380 30 20 DBED C[C@H](CN(C)c1cncc(C#N)n1)NC(=O)Cn1cncn1 1108960800 TWEZRNNOLOUKEK-SNVBAGLBSA-N 300.326 -0.419 30 20 DBED N#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCn1cnccc1=O 1109905950 DNDQYUDCQLKWLG-AGIUHOORSA-N 301.350 -0.122 30 20 DBED O=C(C#CC1CC1)N[C@@H]1C[C@H]2CC[C@@H]1N2[C@H]1CCC(=O)NC1=O 1110539572 YTVQJAOTCBFPRX-MQYQWHSLSA-N 315.373 -0.074 30 20 DBED CC(C)OCC(=O)NC[C@@]1(O)CCN(c2cncc(C#N)n2)C1 1111037959 OJIUZDUOVOFINJ-HNNXBMFYSA-N 319.365 -0.169 30 20 DBED CO[C@@H](C)C(=O)N(C)[C@H]1CN(c2ncccc2C#N)C[C@@H]1O 1111171196 UGYIFMKICBBXJL-DRZSPHRISA-N 304.350 -0.004 30 20 DBED Cn1nccc1C(=O)N(CCO)CCNc1cnc(C#N)cn1 1111432725 ZTQQIRZMTGGVJA-UHFFFAOYSA-N 315.337 -0.372 30 20 DBED N#Cc1c[nH]ccc1=NCCN(CCO)C(=O)c1cncnc1 1111465545 ALCJDKUOHUWELE-UHFFFAOYSA-N 312.333 -0.288 30 20 DBED C#CCOCCC(=O)N(CCO)CCNc1nccc(OC)n1 1111510776 KMKZHKJOHDUPCZ-UHFFFAOYSA-N 322.365 -0.242 30 20 DBED N#Cc1nc(=NCCN(CCO)C(=O)[C@]2(F)CCOC2)cc[nH]1 1111546223 AJJVVILEURINJV-AWEZNQCLSA-N 323.328 -0.868 30 20 DBED C[C@H]1CN(c2cnc(C#N)cn2)CC[C@H]1NC(=O)CNC(N)=O 1112392426 GTWWEZAIKRMZFS-GXSJLCMTSA-N 317.353 -0.652 30 20 DBED Cc1cccc(C(=O)N2CCN(CC(=O)NCC#N)CC2)n1 1112619989 WLJLZXBUQVXBQM-UHFFFAOYSA-N 301.350 -0.212 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)Cc2cnn(C)c2)CC1 1112679027 NBGVAHSKMBEYLG-CYBMUJFWSA-N 317.393 -0.755 30 20 DBED C#CCOCCC(=O)NC[C@H]1CN(c2ccc(C)nn2)C[C@@H]1O 1112737860 JHHAGERLMCCNCF-KBPBESRZSA-N 318.377 -0.262 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)c2nocc2C)CC1 1113497509 ZXCXSIXJBIPLCF-GFCCVEGCSA-N 304.350 -0.121 30 20 DBED C[C@H](CNC(=O)[C@H]1CCCC(=O)N1)N(C)c1nccnc1C#N 1113748627 DZNIHHPBBRFBMD-GHMZBOCLSA-N 316.365 -0.042 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)c3cnn(C)c3)[C@@H]2C1 1113838549 FQBMNDPHBJZUAB-VXGBXAGGSA-N 303.366 -0.618 30 20 DBED N#Cc1ccccc1CN1C[C@@H]2C(NC(=O)CNC(N)=O)[C@H]2C1 1113848535 CPHRJBNTUKFWNW-STQMWFEESA-N 313.361 -0.227 30 20 DBED Cn1cnnc1CN1C[C@H]2C(NC(=O)CSCC#N)[C@@H]2C1 1113891900 ZPSZWDJTUIOTEC-NXEZZACHSA-N 306.395 -0.382 30 20 DBED C[C@H](OCC1CC1)C(=O)NC1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]12 1113992533 JAYAEDJBSKHYAN-CYZMBNFOSA-N 320.393 -0.512 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1[C@@H]2CN(Cc3nnnn3C3CC3)C[C@@H]21 1114067186 OJCVNCHKTXMNNB-GOONRYMUSA-N 301.354 -0.286 30 20 DBED C#CCCCC(=O)N[C@H]1[C@@H]2CN(CCOCCNC(C)=O)C[C@@H]21 1114198300 ADBUOMMPBOFRRC-QLPKVWCKSA-N 321.421 -0.011 30 20 DBED C[C@H](C(=O)NC(N)=O)N1C[C@H]2C(NC(=O)C#CC(C)(C)C)[C@@H]2C1 1114245380 KHRFADAUZMEFIJ-GMTAPVOTSA-N 320.393 -0.334 30 20 DBED C#CCO[C@H](C)C(=O)NC1[C@H]2CN(CC(=O)NCCCC)C[C@H]12 1114271698 ZRYCYRCXUICJBH-RDBSUJKOSA-N 321.421 -0.013 30 20 DBED CC(=O)NCC(=O)NC[C@H]1[C@@H]2CN(c3cncc(C#N)n3)C[C@H]12 1114503722 SRQFNDVVGJWQID-XYYAHUGASA-N 314.349 -0.717 30 20 DBED COCC1(C(=O)NC2[C@H]3CN(CC(=O)NCC#N)C[C@H]23)CC1 1114559840 IETCACDIRSQBOZ-QWRGUYRKSA-N 306.366 -0.901 30 20 DBED C#CCN1C[C@@H]2C(NC(=O)CCC(=O)NCCCOC)[C@H]2C1 1115103112 DSQPOBWUJJIJGE-STQMWFEESA-N 307.394 -0.401 30 20 DBED C=C(C)CN1C[C@H]2C(NC(=O)CC[C@H]3NC(=O)NC3=O)[C@@H]2C1 1115217624 YSABYQDVPJFWIG-GMTAPVOTSA-N 306.366 -0.403 30 20 DBED N#Cc1nc(=NCCCOCCNC(=O)[C@@H]2CCOC2)cc[nH]1 1115388207 CNWOGBNYAMEEFU-GFCCVEGCSA-N 319.365 -0.259 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCO[C@H](C3CC3)C2)CCO1 1117531110 FTOIQCBMSRBAPB-UPJWGTAASA-N 307.350 -0.189 30 20 DBED C#C[C@@H](NC(=O)C(=O)N1CCC(NC(C)=O)CC1)[C@H]1CCCO1 1117544967 SQHXKVHLQFITHA-ZIAGYGMSSA-N 321.377 -0.590 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCn3ccnc3C2)CCO1 1117556337 IMUCGWYFFBAPGX-GHMZBOCLSA-N 303.322 -0.935 30 20 DBED C[C@@H](CN1CCOCC1)NC(=O)C(=O)N1CCC[C@H](CC#N)C1 1118590269 FIWFXSGSISAZQJ-UONOGXRCSA-N 322.409 -0.024 30 20 DBED CN1CCOC[C@H]1C(=O)NC[C@H](CO)Nc1ccc(C#N)cn1 1121347178 XDLOYHAMTFELMP-OLZOCXBDSA-N 319.365 -0.827 30 20 DBED CN1CC[C@@H](C(=O)NC[C@@H](CO)Nc2cncc(C#N)n2)C1 1121591523 QBTKTDSOINCTAG-PWSUYJOCSA-N 304.354 -0.811 30 20 DBED CN1CC[C@@H](CC(=O)NC[C@H](CO)N=c2cc[nH]cc2C#N)C1 1121806677 MWSFBBLZUVTMJA-GXTWGEPZSA-N 317.393 -0.394 30 20 DBED Cc1nonc1CC(=O)NC[C@H](CO)Nc1ccc(C#N)cn1 1121956338 PVROLSHACPRLMU-LLVKDONJSA-N 316.321 -0.224 30 20 DBED N#Cc1nccnc1N[C@H](CO)CNC(=O)[C@@H]1[C@H]2COC[C@H]21 1122372462 PCTGFANTBLAHFO-UXCLJVHYSA-N 303.322 -0.870 30 20 DBED CNC(=O)CC(=O)N1C[C@H](Nc2ccc(C#N)nn2)C[C@H]1C 1123204835 WOZFBIJDFPHMJA-MWLCHTKSSA-N 302.338 -0.114 30 20 DBED COC(=O)c1cnc(NC[C@H](O)CN(C)C(=O)[C@H](C)C#N)nc1 1124190169 DQQDJUOASRBQDN-KOLCDFICSA-N 321.337 -0.346 30 20 DBED C#CCOCCC(=O)N(C)C[C@H](O)CNc1cncc(C#N)n1 1124518568 AJNVWLOJIKNGDS-CYBMUJFWSA-N 317.349 -0.381 30 20 DBED C[C@@H](CC(N)=O)C(=O)N(C)C[C@H](O)CNc1ccc(C#N)nc1 1124689783 ZAMVGKZEGUIJIA-GXFFZTMASA-N 319.365 -0.304 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]cc1C#N)C(=O)c1ccnnc1 1124754137 OILBMTKLSRWLOA-CYBMUJFWSA-N 312.333 -0.290 30 20 DBED Cc1cc(C#N)nc(NC[C@H](O)CN(C)C(=O)c2cnn[nH]2)n1 1124896492 OQFQCZWZJLQICE-JTQLQIEISA-N 316.325 -0.680 30 20 DBED COCCC(=O)N(C)C[C@@H](O)CN(C)c1nc(C)cc(C#N)n1 1124904470 YJSQFXIFWJQKFX-CYBMUJFWSA-N 321.381 -0.051 30 20 DBED C=C(C)CN(CC)C(=O)CNCCNC(=O)Cn1cnnc1O 1126027289 OBKRIYLOZPWLMH-UHFFFAOYSA-N 324.385 -0.886 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)c1nn(C)cc1C 1126949105 MGRJQJFGNLMLDO-UHFFFAOYSA-N 320.397 -0.190 30 20 DBED C[C@H](C#N)C(=O)NCc1cnn2c1CN(CCOCCO)CC2 1128265341 XRMIWMISZURSLJ-GFCCVEGCSA-N 321.381 -0.517 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1ncc(F)cc1F 1130320518 STJVZXALSYLDER-VIFPVBQESA-N 310.304 -0.183 30 20 DBED C#CCN1CCOC[C@H]1c1n[nH]c(CNC(=O)COCC)n1 1130828499 JSSDCHSCUCPIRB-NSHDSACASA-N 307.354 -0.536 30 20 DBED C#CCCN1CCOC[C@H]1c1n[nH]c(CNC(=O)COCC)n1 1130829547 ZSKXKNNTXFTYNV-LBPRGKRZSA-N 321.381 -0.146 30 20 DBED COCCO[C@H](C)C(=O)N1C[C@@H]2C[C@@H]3CN(CC#N)C[C@]2(C1)O3 1131274361 VLHFMNLXJGZJBU-HLPPOEQASA-N 323.393 -0.137 30 20 DBED C#CCNC(=O)CN1C[C@H](NC(=O)C2=COCCO2)CC[C@@H]1C 1131767544 BOFZTGMSYDKGLH-QWHCGFSZSA-N 321.377 -0.407 30 20 DBED C#CCNC(=O)CN1C[C@H](NC(=O)c2csnn2)CC[C@H]1C 1132206882 OXYSJYHARPWLMN-GHMZBOCLSA-N 321.406 -0.130 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@@H]1CCc2cnc(C)n2C1 1133004937 PPNIUOCNQYLMIM-CYBMUJFWSA-N 317.393 -0.791 30 20 DBED C#CCNC[C@@H]1CN(C(=O)c2cn(C)c(=O)nc2O)CC[C@H]1C 1133315599 VNQOVHFECRUZLI-VXGBXAGGSA-N 318.377 -0.193 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)CCn1cncn1 1133703637 VMKQOJRFNWQUQC-OLZOCXBDSA-N 320.397 -0.710 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@@H]1CCC[C@H]2CCCN21 1135095653 MYEUARJKBYBGLE-KBPBESRZSA-N 306.410 -0.542 30 20 DBED C#CCCN[C@@H](C)C[C@H](C)NC(=O)CN1C(=O)C(=O)N(C)C1=O 1135593622 SBYPXUKSMWOCAW-QWRGUYRKSA-N 322.365 -0.697 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)[C@@H](C)COC)C2 1147211825 HDVDPCBOXLGFGS-ZDUSSCGKSA-N 307.394 -0.447 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)C[C@H]2CCCC(=O)N2)C1 1149960126 NGYFPKLZXKRVTG-KGLIPLIRSA-N 307.394 -0.115 30 20 DBED COCC#CCNCCNC(=O)COc1cccc(C(N)=O)c1 1152254447 LMABQTSTOFKAPB-UHFFFAOYSA-N 319.361 -0.480 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)C1(N(C)C)CCC1 1153824109 LCJNMXQRCKQDLF-CYBMUJFWSA-N 323.441 -0.063 30 20 DBED CCN(CC#CCOC)[C@H](C)CNC(=O)C[C@H]1CC(=O)NC1=O 1157363912 ABUXPKNWSPJGQO-OLZOCXBDSA-N 323.393 -0.484 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)c1ccnc(OC)n1 1162316487 CKPMVALJKFSINV-NSHDSACASA-N 319.365 -0.667 30 20 DBED C#CCN1CCC(CNC(=O)CCNC(N)=O)(COC)CC1 1162599046 KWRJNUYHVLXFQB-UHFFFAOYSA-N 310.398 -0.477 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)[C@@H](CC)NC(C)=O 1167184757 DLVAPSCFQYFUME-DGCLKSJQSA-N 310.398 -0.865 30 20 DBED C[C@H](CCCCNCC(=O)NCC#N)NC(=O)[C@H]1CCOC1 1169610637 WWNPEJMHTKFQHD-OLZOCXBDSA-N 310.398 -0.073 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)c1ccc(OC)nn1 1170171415 GPNKZRTZPAVCPZ-LLVKDONJSA-N 321.381 -0.115 30 20 DBED C=CCNC(=O)CNCCCNC(=O)C(=O)N1CCC[C@H]1CC 1170477155 QHZXPJNJXDJKPX-CYBMUJFWSA-N 324.425 -0.215 30 20 DBED C=CCNC(=O)CNCCCNC(=O)C(=O)N1CCC[C@@H]1CC 1170477156 QHZXPJNJXDJKPX-ZDUSSCGKSA-N 324.425 -0.215 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)CNC(=O)[C@H](C)CC 1176318945 RAKOUINLCAXSQA-OLZOCXBDSA-N 324.425 -0.618 30 20 DBED C#CCN1CCC(C(=O)NCCCNCc2nnn(C)n2)CC1 1176925883 DBOHGHOUAKARNB-UHFFFAOYSA-N 319.413 -0.849 30 20 DBED CNC(=O)CC(=O)N1CC[C@@H]2OCCN(CC#CCOC)[C@@H]2C1 1176995281 UKIXKFFHEZAGHW-KGLIPLIRSA-N 323.393 -0.926 30 20 DBED C#CCNC(=O)CNC[C@@H]1C[C@H]2CC[C@H]1N(C(=O)COC)C2 1177555883 RULDVZQXLTVNAY-HZSPNIEDSA-N 307.394 -0.401 30 20 DBED COCC#CCN[C@H]1CCN(C(=O)C[C@H]2CCC(=O)N2)[C@H]1C 1179699337 SDUBTJMLUDEGHL-MJBXVCDLSA-N 307.394 -0.116 30 20 DBED C[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)N2)C[C@@]1(C)CNCC#N 1183433483 VSHBRDLWNWCIIS-NTZNESFSSA-N 314.411 -0.724 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2n[nH]c3c2CCC3)C1 1183884055 JEZPVJOMFXACBU-LLVKDONJSA-N 315.377 -0.548 30 20 DBED C#CCCN1C[C@@H]2CCN(C(=O)CCCS(N)(=O)=O)[C@@H]2C1 1189012575 PMIVRPCCIUZWBF-QWHCGFSZSA-N 313.423 -0.389 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@@H](N(C)CC(=O)NC(=O)NC)C1 1190095951 WSNJBPLSECDWBD-NWDGAFQWSA-N 324.381 -0.987 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2ccsc2)C1 1190905651 XSRSPRWFSZWECW-VXGBXAGGSA-N 309.391 -0.175 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCC(NC[C@H](O)COC)CC1 1200334704 SATSZJQPNMVXKS-DZGCQCFKSA-N 300.399 -0.099 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)C[C@@H](C)NC(N)=O)CCCO1 1200509887 IAWKCBXHADLAPG-CHWSQXEVSA-N 310.398 -0.336 30 20 DBED C#CCNC[C@H]1CN(C(=O)[C@H]2COCCN2CC)CCCO1 1200859190 LEMNGHIZMCVAPE-LSDHHAIUSA-N 309.410 -0.453 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)[C@@H]2CCCCN2C)CC1 1201267873 SILNHFBXDNYYFJ-HNNXBMFYSA-N 320.437 -0.199 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)COCCN(C)C)CCCO1 1201863190 IYVDOIUFEZDQNT-OAHLLOKOSA-N 311.426 -0.205 30 20 DBED C#Cc1ccc(C(=O)N2CCCO[C@H](CNCC(N)=O)C2)cn1 1201892482 XSXRHUJRDOTNAM-CQSZACIVSA-N 316.361 -0.631 30 20 DBED N#CCNC[C@@H]1CN(C(=O)c2cncc(C(N)=O)c2)CCCO1 1202078673 IHAPHHULIXRLKE-CYBMUJFWSA-N 317.349 -0.475 30 20 DBED COC[C@@H](C)CC(=O)N1CCC(NCC(=O)NCC#N)CC1 1203138817 RFURJWAGRNKNPU-LBPRGKRZSA-N 310.398 -0.121 30 20 DBED C=CCOCCNC1CCN(C(=O)C[C@@H]2CC(=O)NC2=O)CC1 1204157542 VSHOLIHLHPVACN-LBPRGKRZSA-N 323.393 -0.178 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)c2cnsn2)CC1 1204608976 YJGRLPRLMQTSSY-UHFFFAOYSA-N 321.406 -0.271 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)[C@H]2C[C@H]2OCC)CC1 1204613721 GKNXAXMGCDCHQO-LSDHHAIUSA-N 321.421 -0.011 30 20 DBED C#CCOCCC(=O)N1CCC(CNC[C@@H](O)COC)CC1 1205258629 HVOFSJGAEIQAPD-OAHLLOKOSA-N 312.410 -0.138 30 20 DBED Cc1cn(C)nc1C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1206943953 MLJIQRWLBYCJJB-ZYHUDNBSSA-N 318.381 -0.582 30 20 DBED C=CCNC(=O)NC(=O)CN[C@H]1CCCN(C(=O)C(F)F)C1 1206984605 VGMFPDFFCWMWGT-VIFPVBQESA-N 318.324 -0.156 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)CCn2cccn2)C1 1207342111 BWQKDBJMOSOTEM-CQSZACIVSA-N 317.393 -0.397 30 20 DBED C#CCCCCC(=O)N1CCC[C@H](NCC(=O)NC(N)=O)C1 1207859796 CZHBQGNARNGUBR-LBPRGKRZSA-N 308.382 -0.045 30 20 DBED CC(C)C#CC(=O)N1CCC[C@H](N[C@@H](C)C(=O)NC(N)=O)C1 1207989383 MEZSHBYHLFTRFE-RYUDHWBXSA-N 308.382 -0.190 30 20 DBED CO[C@@H]1CN([C@@H](C)C(=O)NC2CC2)C[C@H]1NC(=O)C#CC1CC1 1212251307 WKCBYFYVGCSTBC-NILFDRSVSA-N 319.405 -0.118 30 20 DBED C#CCC1(C(=O)N[C@@H]2CN(CC(=O)NC)C[C@H]2OC)CCC1 1212393669 STZSNZXFHAJAHD-CHWSQXEVSA-N 307.394 -0.259 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)[C@H](C)C(C)C)[C@H](OC)C1 1213514386 MBXRUSYCTNGFJX-MGPQQGTHSA-N 309.410 -0.157 30 20 DBED C[C@@H]1CN(C(=O)Cc2ccoc2)C[C@H]1NCC(=O)NCC#N 1214495941 QCPRLWJDVYZYSU-DGCLKSJQSA-N 304.350 -0.102 30 20 DBED C=C(C)CCN[C@@H]1CN(C(=O)CNC(=O)CNC(C)=O)C[C@H]1C 1214990133 ACFYZZIPUHKCNE-TZMCWYRMSA-N 324.425 -0.359 30 20 DBED C#CCCN[C@@H]1CN(C(=O)CNC(=O)C2CCOCC2)C[C@H]1C 1215982394 VKMKTONRDASEIM-UKRRQHHQSA-N 321.421 -0.011 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)CCNC(=O)c2ccsc2)C1 1219836354 PWBWYXRELLDXST-NEPJUHHUSA-N 322.390 -0.447 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)c2nocc2C)C1 1220689502 IYVTYAVBUMBVEN-TUAOUCFPSA-N 322.365 -0.551 30 20 DBED C=CCO[C@H](C)C(=O)N1CCC[C@H](NCC(=O)NCC#N)C1 1222067765 MMFFRYYTWGTATC-OLZOCXBDSA-N 308.382 -0.202 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC(NC(=O)Cc2ccon2)CC1 1226699895 VMCMBUOGIPDKFA-GFCCVEGCSA-N 318.377 -0.064 30 20 DBED C=CCN1CCS(=O)(=O)[C@@H](CCNC(=O)[C@@H]2CCCO2)C1 1230416342 GCJMTPXKTZUUKC-STQMWFEESA-N 316.423 -0.043 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@H]1CN(C)C(=O)CNC(=O)OC 1230925932 RGAGRILFYLNTCT-NEPJUHHUSA-N 324.381 -0.987 30 20 DBED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1ccn([C@H](C)COC)n1 1256560771 UGEDIYSMRNREOL-VXGBXAGGSA-N 322.365 -0.081 30 20 DBED N#CCN1CCN(C(=O)c2ccc(S(N)(=O)=O)nc2)CC1 1321135396 ANEJBWNNPZEDGN-UHFFFAOYSA-N 309.351 -0.990 30 20 DBED N#CC1(NC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 1321995436 OYOAWAXOSYCHGB-VHSXEESVSA-N 311.363 -0.806 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CC[C@@H](C)[C@H]2CO)nn1 1325945676 AGLQIUSVSKIXLZ-ZYHUDNBSSA-N 307.354 -0.690 30 20 DBED C=C(C)COCCNC(=O)C(=O)NC[C@@H]1CCS(=O)(=O)C1 1327620670 CEUSMPUNIAZTOL-NSHDSACASA-N 318.395 -0.754 30 20 DBED C[C@H]1CN[C@H](C)CN1C(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1329454881 RGQVLMXRSORJOV-DYEKYZERSA-N 319.409 -0.606 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N1CCC2(CCNC2=O)CC1 1331367607 QWAPPHAHYUPWOI-NSHDSACASA-N 309.366 -0.568 30 20 DBED CCN1CCC[C@@H](NC(=O)C(=O)N2CC[C@](F)(C#N)C2)C1=O 1333247024 VZFOGMRSULALAI-YGRLFVJLSA-N 310.329 -0.422 30 20 DBED C#CCNC(=O)C1CCN(c2nnnn2[C@@H]2COC[C@@H]2C)CC1 1335864627 PHXYSFJRFJLFCE-WCQYABFASA-N 318.381 -0.154 30 20 DBED C#CCCCCC(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 1341693210 VNHRXCKVZXZSLF-GFCCVEGCSA-N 314.407 -0.010 30 20 DBED C=CCCOCCNC(=O)C(=O)N[C@@H]1CCCS(=O)(=O)C1 1342117129 MDNWFFJUPGBERD-LLVKDONJSA-N 318.395 -0.611 30 20 DBED Cn1nnc2c1CC[C@@H](Nc1[nH]c(=O)n(C)c(=O)c1C#N)C2 1364211950 OTYYBNZAPWGWIK-SSDOTTSWSA-N 301.310 -0.957 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)CCc2ccccn2)C1 1371471176 YRPPIZIUMPYRDQ-IACUBPJLSA-N 316.361 -0.138 30 20 DBED CC(C)[C@@H](O)C(=O)N[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1O 1371533183 XBEIMAWRMHQQGQ-FRRDWIJNSA-N 320.349 -0.795 30 20 DBED N#Cc1cc(C(=O)N[C@@H](CNC(=O)c2cnn[nH]2)C2CC2)c[nH]1 1372401245 WIBDUCCHYISXCR-NSHDSACASA-N 313.321 -0.057 30 20 DBED COc1coc(CNC[C@H](O)CNC(=O)[C@@H](C)C#N)cc1=O 1406214902 LTOPMRQQCHOXOX-UWVGGRQHSA-N 309.322 -0.625 30 20 DBED N#Cc1cn(CC(=O)N2CC[C@]3(CCOC3)C2)c(=O)nc1O 1412703804 YFSYCGAPJPUFIA-AWEZNQCLSA-N 304.306 -0.540 30 20 DBED C[C@H](CCC#N)N1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 1412961582 PSPKEMHTPLJZDB-FRRDWIJNSA-N 301.412 -0.546 30 20 DBED C[C@H](CCNC(=O)c1cc(C#N)c[nH]1)NC(=O)[C@H]1COCCO1 1415378469 WZFXTKBPVNIDPS-ZWNOBZJWSA-N 320.349 -0.074 30 20 DBED CCN1CCN(CC(C)(C)NC(=O)Cn2cnc(C#N)n2)CC1 1418084644 LPMWAXITXKGUHC-UHFFFAOYSA-N 319.413 -0.318 30 20 DBED CCN(CCC#N)C(=O)CN[C@H](C)CNC(=O)c1cncn1C 1419784021 SHMNZDUYBHIWAI-GFCCVEGCSA-N 320.397 -0.110 30 20 DBED N#Cc1cc(CNC[C@H](O)CNC(=O)c2cnn[nH]2)ccc1F 1439003436 RKCPHVQTPBXNDG-NSHDSACASA-N 318.312 -0.304 30 20 DBED C[C@@H](C#N)C(=O)NCC1CN(Cc2cc(=O)n3nccc3[nH]2)C1 1443574258 WNGNILTYIXKDBV-JTQLQIEISA-N 314.349 -0.270 30 20 DBED C[C@@H](Cn1ccnc1)NC(=O)Cn1cc(C#N)c(O)nc1=O 1464157530 KDQIAROYTYUJAA-VIFPVBQESA-N 302.294 -0.778 30 20 DBED COC[C@@H](OC)C(=O)NC1CN(C(=O)c2cc(C#N)c[nH]2)C1 1498403701 QFYSZUUDKGUSKF-GFCCVEGCSA-N 306.322 -0.512 30 20 DBED C#CCOCCN(C)C(=O)c1cc(N2CCNC(=O)C2)ccn1 1529436378 VROLPAHVPNULDX-UHFFFAOYSA-N 316.361 -0.260 30 20 DBED C[C@@H](C#N)C(=O)NC1CN(C(=O)[C@@H](C)CN2CCOCC2)C1 1530618436 QONOOZWTQPGSRZ-RYUDHWBXSA-N 308.382 -0.559 30 20 DBED CC[C@@H](CNC(=O)CS(=O)(=O)C(C)C)NC(=O)[C@H](C)C#N 1531216014 CXNLLGMMVBCGGT-MNOVXSKESA-N 317.411 -0.020 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCCN(C(=O)CNC(=O)O)CC1 1573347484 KZMXHXNBFWLNJH-AWEZNQCLSA-N 313.354 -0.358 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](CO)Nc1ccc(-c2nn[nH]n2)nc1 1573577459 PSVWQPONTBNUEK-SCZZXKLOSA-N 316.325 -0.690 30 20 DBED CC(C)(C#N)CS(=O)(=O)N[C@H]1CC(=O)N(C2CNC2)C1 1575099644 OKXMRJQSIQZJRR-VIFPVBQESA-N 300.384 -0.972 30 20 DBED N#Cc1ccc(O[C@H]2CCN(S(=O)(=O)CC3CNC3)C2)nc1 1580071304 DCWQACAULGITTL-ZDUSSCGKSA-N 322.390 -0.044 30 20 DBED N#Cc1nc(NC[C@@H](CO)[C@@H]2CCOC2)cnc1-c1nn[nH]n1 1581880624 QIGIFTRXJGMOCX-BDAKNGLRSA-N 316.325 -0.415 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N1C[C@@H](C)[C@H](C(=O)O)C1 1588390355 SAASYYKMMWJPPI-IJLUTSLNSA-N 310.350 -0.290 30 20 DBED C=CCOC[C@H](NC(=O)[C@@]12C[C@H]3C[C@@H](C(=O)N1)[C@H]2C3)C(=O)O 1602909678 CMQSTLPZXPKVMT-GSURGFDJSA-N 308.334 -0.327 30 20 DBED C=CCOC[C@@H](NC(=O)[C@@]1(C)CCCS1(=O)=O)C(=O)O 1602910420 YQRZGXJRCVDYCC-BXKDBHETSA-N 305.352 -0.274 30 20 DBED CCN1CCN(CCC(=O)NCCn2cnc(C#N)n2)CC1 1647190431 VRHIGGUODRMNPM-UHFFFAOYSA-N 305.386 -0.706 30 20 DBED N#CCSCC(=O)N[C@@H]1CCN(CCNC(=O)C2CC2)C1 1713816563 GZMCVEHVSFIQPV-GFCCVEGCSA-N 310.423 -0.040 30 20 DBED CC#CCNC[C@H]1CCCN(C(=O)CN2CCN(C)C(=O)C2)C1 1752800899 AKGTWXHYPAMALL-OAHLLOKOSA-N 320.437 -0.388 30 20 DBED Cn1ncc(C(=O)N2CCCC[C@H]2CNCC(=O)NCC#N)n1 1752830719 VFDGDKCFBXOQLN-NSHDSACASA-N 319.369 -0.961 30 20 DBED C#CCNC(=O)[C@H](C)N(C)CCNC(=O)c1[nH]cnc1CC 1753073335 SEBVHUQKUXBOBD-NSHDSACASA-N 305.382 -0.228 30 20 DBED C=CC(C)(C)C(=O)NC[C@H](O)CNCC(=O)N1CCOCC1 1753923267 FVAVAINGJRNQBW-GFCCVEGCSA-N 313.398 -0.876 30 20 DBED CCN(CCNCC(=O)NCC#N)C(=O)Cc1cnn(C)c1C 1754048905 AMKOKXNYOHEYCD-UHFFFAOYSA-N 320.397 -0.651 30 20 DBED C[C@H](C(=O)NC/C=C/CNCC(=O)NCC#N)n1cccn1 1754097526 TZOJOADZYGNURL-QAVQXKDTSA-N 304.354 -0.654 30 20 DBED C=CCNC(=O)CNC[C@@H]1CCCN1C(=O)Cc1ccn(C)n1 1754610974 WNFLOEWKFVECJC-AWEZNQCLSA-N 319.409 -0.155 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCC[C@](C)(CNC(=O)CC(N)=O)C1 1754723609 LDBFFNCIFNLKFL-MLGOLLRUSA-N 324.425 -0.229 30 20 DBED C[C@H](NCC(=O)NCC#N)[C@H]1CCN(C(=O)CN2CCCC2)C1 1754808282 ZXLISYUZZICPCX-KBPBESRZSA-N 321.425 -0.451 30 20 DBED C#CCNCC[C@@H]1CCN(C(=O)CCN2C(=O)CCC2=O)C1 1754922274 NRGVSIRWDDLNSW-CYBMUJFWSA-N 305.378 -0.013 30 20 DBED C#CCNC(=O)CN1C[C@H]2CC[C@H]1CN2C(=O)[C@@H]1[C@H]2COC[C@H]21 1755396966 RAFIETJLICOLGG-OJKRMQCYSA-N 317.389 -0.697 30 20 DBED CC(C)C#CC(=O)N1CCO[C@@H]([C@@H](C)NCc2nnn(C)n2)C1 1755442350 QFQPNNQDQOCVHI-CHWSQXEVSA-N 320.397 -0.425 30 20 DBED C=CCNC(=O)NC(=O)CN[C@@H]1C[C@@H](C)N(C(=O)COC)C1 1755668585 DRMBIKMHMFUDSN-GHMZBOCLSA-N 312.370 -0.776 30 20 DBED C#Cc1ccc(C(=O)N[C@@H](C)[C@@H](C)NC(=O)CC(N)=O)cn1 1755957508 CPUQQFJJWWWIOR-ZJUUUORDSA-N 302.334 -0.439 30 20 DBED C=CCC1(C(=O)NC[C@@H](CO)NC(=O)Cn2nccn2)CCC1 1756549369 XUJCSJQAIMNFGE-LBPRGKRZSA-N 321.381 -0.382 30 20 DBED Cc1nonc1C(=O)N(C)C[C@@H](O)CNC(=O)C#CC(C)(C)C 1756670561 XXCMEPGGPHYKTD-NSHDSACASA-N 322.365 -0.023 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H]1CCN(C(=O)Cc2nc[nH]n2)[C@@H]1C 1757511597 CRKCVMWLYKJJSK-WOPDTQHZSA-N 319.365 -0.509 30 20 DBED CN(CC(N)=O)C(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1771596036 XWMUWZOLSNRRRY-NSHDSACASA-N 300.318 -0.145 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)C1(CC)COC1)CCO2 1783055020 LQEFHRTYOMSWKE-MRXNPFEDSA-N 306.362 -0.124 30 20 DBED C=CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](C)CC(N)=O)CCO2 1783914843 DOSTUKVXFMLTAY-MLGOLLRUSA-N 323.393 -0.096 30 20 DBED N#CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc[nH]n1 1793502783 BTVRBVGJFDTLNH-DDFAGTSDSA-N 303.322 -0.473 30 20 DBED Cn1cnc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CC#N)c1 1795078035 LCZMWPYQTBJNGW-GNXNZQSNSA-N 317.349 -0.463 30 20 DBED C=CCC(=O)N1CC2(CCCN2C(=O)CN(C)C(=O)C(=O)O)C1 1845810884 PAKONARVBBFUHE-UHFFFAOYSA-N 323.349 -0.691 30 20 DBED COCC1(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C#CC(=O)O)CC1 1847800344 RQXIZFCMDHKZLO-RYUDHWBXSA-N 320.345 -0.297 30 20 DBED N#CCCN(CCN1CCOCC1)S(=O)(=O)c1c[nH]cn1 70417079 LXUDGAJUUDLLFL-UHFFFAOYSA-N 313.383 -0.354 30 20 DBED C[C@@H](C(=O)N(C)CCC#N)N1CCN(CC(=O)N(C)C)CC1 72878585 MUYDIYNOQHNESW-ZDUSSCGKSA-N 309.414 -0.547 30 20 DBED CC#CCNC(=O)N1CCN([C@H](C)C(=O)NCCCOC)CC1 136015884 XFHWDHZOGDGOAF-CQSZACIVSA-N 324.425 -0.122 30 20 DBED N#Cc1ccc(N2CCN(CCCS(N)(=O)=O)CC2)nc1 170913795 DFAVGMHEJQLOKD-UHFFFAOYSA-N 309.395 -0.246 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H]2CCCNC2)C1=O 262509671 KWRCJTAAIYYCRP-JTQLQIEISA-N 308.338 -0.921 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CCCOC2)CC1 265073627 VXTUQRHWZONFEX-CQSZACIVSA-N 307.394 -0.303 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(C)C2CC(OCC)C2)C1=O 288456555 WMPBNFSJPBMSGW-UHFFFAOYSA-N 323.349 -0.011 30 20 DBED C#CCN(C)CCCNC(=O)c1cc(S(N)(=O)=O)oc1C 294036313 RWYBEMVJQAUHPF-UHFFFAOYSA-N 313.379 -0.080 30 20 DBED O=S(=O)(N1CCOCC1)N1CC[C@@H](N/C(O)=N/C2CC2)C1 329590590 TXGFUVIZSPMSOG-LLVKDONJSA-N 318.399 -0.696 30 20 DBED CN(/C(O)=N/CCNS(C)(=O)=O)C1CCC(CO)CC1 331215379 CPWHDGZQPJRSKT-UHFFFAOYSA-N 307.416 -0.068 30 20 DBED C[C@](O)(CNS(=O)(=O)N1CCO[C@H](C#N)C1)C(F)(F)F 336887938 LBOHJBYLTBPFML-SFYZADRCSA-N 317.289 -0.642 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N1CSC[C@@H]1C(=O)N(C)C 337079398 UORPXOKJYLSBKI-VHSXEESVSA-N 320.440 -0.214 30 20 DBED COCCN(CCC#N)S(=O)(=O)N(CCO)CC(F)F 337163286 WLEWGPHSQWEFBA-UHFFFAOYSA-N 315.342 -0.347 30 20 DBED Cc1c(C#N)cccc1NC(=O)C(=O)NCCC(=O)NC(N)=O 340758734 GZIWKNDQSDUQDR-UHFFFAOYSA-N 317.305 -0.494 30 20 DBED CN1C(=O)c2ccc(C(=O)NCC(=O)NCC#N)cc2C1=O 343508601 QMFCNDXMVPCWOI-UHFFFAOYSA-N 300.274 -0.718 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@H](CC)O[C@H](C)C2)C1=O 347841110 WTHSJJDPDYPQSF-MNOVXSKESA-N 323.349 -0.011 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H](C)[C@@H]2CO)C1=O 349487911 PAFLGHRBXBJLBJ-QWRGUYRKSA-N 323.349 -0.417 30 20 DBED C=CCCC[C@@H](C)NC(=O)C(=O)N1CC[C@H](S(N)(=O)=O)C1 352239434 VVEGKCKLMYVRBH-MNOVXSKESA-N 317.411 -0.263 30 20 DBED N#Cc1ccc(NCC(=O)N[C@@H](CO)Cc2ccncc2)nc1 357006145 VDUOZECFLGXOCW-CQSZACIVSA-N 311.345 0.480 30 20 DBED CN(C)C(=O)[C@H]1CC[C@@H](CNS(=O)(=O)CC2(C#N)CC2)O1 361812842 JACVPFIVYZXWJK-WDEREUQCSA-N 315.395 -0.155 30 20 DBED COc1cc(C#N)ccc1S(=O)(=O)NCCn1ncnn1 361959743 OLYFHPFRBOTKMK-UHFFFAOYSA-N 308.323 -0.468 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N1CCN([C@@H]2CCOC2)CC1 367400397 BWQDEHINAWEKSK-CHWSQXEVSA-N 310.398 -0.207 30 20 DBED N#CC1(CCCN2CCN3C(=O)C(=O)NC[C@H]3C2)CCOCC1 407954040 DKCCORHYFMVKBK-ZDUSSCGKSA-N 320.393 -0.270 30 20 DBED CC[C@H](NS(=O)(=O)N1CCO[C@H](C#N)C1)[C@H](O)C(C)C 416611424 CERQWSDGXSKEFU-GRYCIOLGSA-N 305.400 -0.159 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H]2CCO)C1=O 428587288 XBVXSFHXPJDXGD-JTQLQIEISA-N 309.322 -0.663 30 20 DBED CCN(C[C@@H](C)C#N)C(=O)CN1CCN(CC(=O)OC)CC1 429680533 TZXQZWBNEUUVKE-ZDUSSCGKSA-N 310.398 -0.215 30 20 DBED CCn1cccc(CNc2c(C#N)c(=O)n(C)c(=O)n2C)c1=O 432825540 UNPSSIQDGWNVBR-UHFFFAOYSA-N 315.333 -0.251 30 20 DBED C#CCN(C)CCCNC(=O)CCN/C(O)=C1/N=CC=CC1=O 491623523 PUPQAHYTMVFTEH-NXVVXOECSA-N 318.377 -0.026 30 20 DBED CN(CCC#N)S(=O)(=O)N1CCC[C@H](N2CCNC2=O)C1 523768731 AAPQONHMSMXVDH-NSHDSACASA-N 315.399 -0.434 30 20 DBED Cc1nn(C)c(N2CCN(CC(=O)N3CCC3)CC2)c1C#N 530361438 SDGMGEMCAHIOOL-UHFFFAOYSA-N 302.382 -0.046 30 20 DBED COc1cc(C#N)ccc1OCC(=O)NCCN1CCNCC1 570810582 UASXSWVKIRQDSO-UHFFFAOYSA-N 318.377 -0.033 30 20 DBED N#Cc1ccc(S(=O)(=O)N[C@H](CCC(=O)O)C(=O)O)o1 588316050 DOAHXLHFXJCZRV-SSDOTTSWSA-N 302.264 -0.252 30 20 DBED COC(=O)[C@H]1C[C@H](O)CN(S(=O)(=O)CC2(CC#N)CC2)C1 592120617 ZCAGZOUNIAYDNY-QWRGUYRKSA-N 316.379 -0.134 30 20 DBED N#Cc1nc(C2CC2)oc1N1CCN([C@H]2CC(=O)NC2=O)CC1 593919966 BSSMJILJLFGOBK-NSHDSACASA-N 315.333 -0.039 30 20 DBED Cn1ncc(C#N)c1N1CCC(O)(CN2CCOCC2)CC1 596190339 XKGPHQOCEWFTFB-UHFFFAOYSA-N 305.382 -0.045 30 20 DBED CC(C)(CC#N)CNC(=O)NCCOCCS(N)(=O)=O 596622435 FIEAQSLECWFAIK-UHFFFAOYSA-N 306.388 -0.469 30 20 DBED C[C@@H]1CN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC[C@H]1C(=O)O 600800460 LNDUAPSXEDYZRJ-RKDXNWHRSA-N 306.322 -0.497 30 20 DBED N#CCCN1CCN(C(=O)C(=O)NCCc2nccs2)CC1 602234794 BEIUZZAHJCSMDH-UHFFFAOYSA-N 321.406 -0.140 30 20 DBED CC#CC[C@@H](CO)NC(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 645385980 ADENZFVNZAGWSQ-NEPJUHHUSA-N 317.411 -0.659 30 20 DBED O=C(O)COc1ccc(C=NN2CC(=O)NC2=O)cc1[N+](=O)[O-] 731559334 XXCJFHUBJQPMIU-UHFFFAOYSA-N 322.233 -0.056 30 20 DBED N#Cc1ccc(C(=O)NCCS(=O)(=O)N2CCOCC2)[nH]1 751803214 GEZUDPPCPAVGBO-UHFFFAOYSA-N 312.351 -0.722 30 20 DBED C#CCOc1ccc(F)cc1NC(=O)C(=O)NOCC(N)=O 785387144 YIQFUFAITKFVJB-UHFFFAOYSA-N 309.253 -0.691 30 20 DBED Cn1nnc2c(C(=O)NS(=O)(=O)CCCC#N)ccnc21 802126320 JOIPESVZFLQHHW-UHFFFAOYSA-N 308.323 -0.273 30 20 DBED N#Cc1ccc(NC(=O)C(=O)N2CCCNC(=O)C2)cc1F 810359570 NQDZNHQJLDYZBW-UHFFFAOYSA-N 304.281 -0.016 30 20 DBED C#Cc1cnc(N2CCN(C(=O)CN3CCOCC3)CC2)nc1 827342215 FUQGERPDVRQKPB-UHFFFAOYSA-N 315.377 -0.561 30 20 DBED C#CCN(CC(=O)N[C@H](CO)COC)C(=O)OC(C)(C)C 834819373 MPHZSDSWOGFSCO-LLVKDONJSA-N 300.355 -0.020 30 20 DBED C#CC[C@@H](CCOC)NC(=S)NCCNS(C)(=O)=O 863251349 OMOXDXHKOWHTGZ-JTQLQIEISA-N 307.441 -0.572 30 20 DBED C=C(Br)CNC(=O)N(C)CCS(N)(=O)=O 872855547 SSCGRWCRSQVPOI-UHFFFAOYSA-N 300.178 -0.175 30 20 DBED CCC#CCOC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 893838859 RXYOIAYRMZQSPT-RYUDHWBXSA-N 313.375 -0.021 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N1CC(N2CCCC2=O)C1 907736596 IUZXCUURGCLYLZ-JTQLQIEISA-N 300.384 -0.371 30 20 DBED CC(C)[C@](C)(C#N)NC(=O)COC(=O)CN(C)S(C)(=O)=O 914923314 GAIAHTQTXNUYOG-LBPRGKRZSA-N 319.383 -0.525 30 20 DBED C#CCN1CCC[C@H](NC(=O)CCn2cc[nH]c(=O)c2=O)C1 923582625 JOAAWVMIJDANCR-LBPRGKRZSA-N 304.350 -0.860 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)[C@@H](C)C1 944135123 IQEXESZYUULIRY-WDEREUQCSA-N 314.349 -0.509 30 20 DBED C#CCN1CC(N(CC)C(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 950961149 OMTRNFWOZSHKJX-ZDUSSCGKSA-N 301.350 -0.469 30 20 DBED COCCn1nccc1C(=O)N(C)C1CN(C(=O)[C@H](C)C#N)C1 954578604 KOBHJCXZIKLJIE-LLVKDONJSA-N 319.365 -0.028 30 20 DBED C[C@@H](C#N)C(=O)N1CC(N(C)C(=O)[C@@H]2CCCN2C(N)=O)C1 954671821 OGDUDRCFWXFBDX-ONGXEEELSA-N 307.354 -0.642 30 20 DBED C=C(C)CN1CC(N(CC)C(=O)[C@@H]2CCS(=O)(=O)N2)C1 957401971 GVJASVADQARLBQ-LBPRGKRZSA-N 301.412 -0.213 30 20 DBED N#CCN1C[C@@H](O)[C@@H](CNC(=O)c2ccnn2CC(F)F)C1 958070120 WLAAIJNBAQUPOR-GXSJLCMTSA-N 313.308 -0.306 30 20 DBED C#CCCN1C[C@@H](O)[C@H](CNC(=O)c2cccc3ncnn23)C1 958224366 VHMWNWORLUNAIA-TZMCWYRMSA-N 313.361 -0.225 30 20 DBED C=CCN1C[C@H](O)[C@H](CNC(=O)c2ccc3nncn3c2)C1 958482111 VPVCYZKTEDCCDG-OLZOCXBDSA-N 301.350 -0.062 30 20 DBED C=CCCN1C[C@H](O)[C@H](CNC(=O)c2cccn(C)c2=O)C1 958595450 RJHDABKWLJVXEO-OCCSQVGLSA-N 305.378 -0.016 30 20 DBED CCn1ccc(C(=O)N(C)[C@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)n1 958845533 QDTVMZKIFXBXFI-WXHSDQCUSA-N 319.365 -0.294 30 20 DBED C=CCN1C[C@H]2C(NC(=O)[C@@H]3Cc4cncn4C(=O)N3)[C@@H]2C1 961314368 QECRNKFVPKOOJX-UTUOFQBUSA-N 301.350 -0.402 30 20 DBED Cn1nnc(CNCC2CC(NC(=O)c3cc(C#N)c[nH]3)C2)n1 961679141 MWIOILCVJIZGSA-UHFFFAOYSA-N 314.353 -0.292 30 20 DBED CC#CCN1C[C@@H]2C(NC(=O)CN3C(=O)NC(=O)C3(C)C)[C@H]2C1 962192208 MHZJYBAFKWCNQD-QWRGUYRKSA-N 318.377 -0.614 30 20 DBED Cc1nonc1C(=O)NC[C@@H]1COCCN1C(=O)C#CC1CC1 964237234 NKRCORFERQPIFS-GFCCVEGCSA-N 318.333 -0.251 30 20 DBED O=C(N[C@H]1COC2(C1)CN(C(=O)C#CC1CC1)C2)c1cc[nH]n1 965635371 GUALRNHTZYUKBP-GFCCVEGCSA-N 314.345 -0.077 30 20 DBED C=CCCn1cc(C(=O)N[C@H]2COC3(C2)CN(C(C)=O)C3)nn1 965711163 YKSHEWYWDBXQTG-GFCCVEGCSA-N 319.365 -0.026 30 20 DBED Cc1c[nH]c(C(=O)N[C@@H]2COC3(C2)CN(C(=O)[C@@H](C)C#N)C3)n1 965711889 UNFYPWGUKSRUFC-ONGXEEELSA-N 317.349 -0.023 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@@H](NCC(=O)N3CCC3)C2)c1 968341527 SLDJKAFTAJGUBA-GFCCVEGCSA-N 301.350 -0.077 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCNC(=O)C1 968821523 XCOOHLBBJFRJFM-LPWJVIDDSA-N 318.377 -0.126 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CN(C)C(=O)N1 969535694 FDJFHHUIGOSUDX-YFKTTZPYSA-N 319.365 -0.629 30 20 DBED C=CCn1cc(C(=O)N[C@@H](C)C2CN([C@H]3CCNC3=O)C2)nn1 970544623 PQASEVGEDGOOTF-GWCFXTLKSA-N 318.381 -0.597 30 20 DBED C=C(C)CN1C[C@H]2[C@H](CNC(=O)c3nnc(O)nc3O)[C@H]2C1 978414447 PKNKDYFZDITBBF-OWUUHHOZSA-N 305.338 -0.234 30 20 DBED C=C(C)CN(C)[C@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 980425693 DRDAHSJHPLZFNO-NWDGAFQWSA-N 301.412 -0.213 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)Cn3cncn3)C[C@@H]2C1 986710108 MRWHHTPUYSQSGW-UPJWGTAASA-N 316.365 -0.255 30 20 DBED C[C@@H]1C[C@@H](NCC#N)CN1C(=O)c1coc(S(N)(=O)=O)c1 989058743 WUUVXUVLJHGDID-PSASIEDQSA-N 312.351 -0.357 30 20 DBED C#Cc1ccc(C(=O)N2CC(NC(=O)c3nnn(C)c3C)C2)nc1 990606313 ZLBMCKIJOFAQTD-UHFFFAOYSA-N 324.344 -0.246 30 20 DBED CC(C)(C(N)=O)C(=O)N1CC(NC(=O)c2c[nH]c(C#N)c2)C1 990936593 WKTWAQPTOVBADN-UHFFFAOYSA-N 303.322 -0.662 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)COC)C[C@@H]2O)cn1 991635066 FSQATABRSSEIKE-KGLIPLIRSA-N 317.345 -0.599 30 20 DBED C#Cc1ccc(C(=O)NCC2CC(NC(=O)C(N)=O)C2)nc1 992262716 IRWQQSABZFUZLN-UHFFFAOYSA-N 300.318 -0.827 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(NC(=O)c2cnn[nH]2)C1 995177665 BJBIAVLCBLHLJD-PWSUYJOCSA-N 305.338 -0.274 30 20 DBED C#CCN[C@H]1CN(C(=O)CCN2C(=O)CCC2=O)CC1(C)C 996021372 PCGVPBNUPVPUMI-LBPRGKRZSA-N 305.378 -0.015 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC(NC(=O)[C@]2(C)CCOC2)C1 998427734 GKXTYUJIVFYWJA-WMLDXEAASA-N 319.405 -0.162 30 20 DBED C=C[C@](C)(CC)C(=O)N1CC(NC(=O)CN2C(=O)CNC2=O)C1 1000144138 XIFUZFLXCZXNCT-OAHLLOKOSA-N 322.365 -0.533 30 20 DBED N#CCN[C@H]1CCCN(C(=O)c2cc(=O)n3[nH]cnc3n2)C1 1000696746 URBHLJKCEDDVEN-VIFPVBQESA-N 301.310 -0.865 30 20 DBED CN(C(=O)c1ccc(C#N)[nH]1)C1CCC(NC(=O)C(N)=O)CC1 1004069924 SOQQDHCURXFLJR-UHFFFAOYSA-N 317.349 -0.129 30 20 DBED CN(C)C(=O)Cn1cc(C(=O)NC2CCN(CC#N)CC2)nn1 1004207417 LHRDYTLKZKKTPW-UHFFFAOYSA-N 319.369 -0.916 30 20 DBED NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]1[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]12 1009521395 YTTLTNZLODJIQT-ITGHMWBKSA-N 315.373 -0.658 30 20 DBED C[C@H]1C[C@H](CNC(=O)c2cc(C#N)c[nH]2)CN1C(=O)C(N)=O 1010287739 ZJCRVVBAGJYGGZ-WCBMZHEXSA-N 303.322 -0.662 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CCN(CCN3CCNC3=O)C2)c[nH]1 1010689156 KSZPLVAUUHDXKO-GFCCVEGCSA-N 316.365 -0.284 30 20 DBED O=C1CCC[C@H](C(=O)NC2[C@H]3CN(C(=O)C#CC4CC4)C[C@H]23)N1 1013267521 BMTOHPQCFRWUBN-RWMBFGLXSA-N 315.373 -0.359 30 20 DBED C[C@@H]1[C@@H](NC(=O)Cn2ncnn2)CCCN1C(=O)C#CC1CC1 1014962889 NQHFODMYNCYXEB-YPMHNXCESA-N 316.365 -0.418 30 20 DBED O=C1NCC[C@@H]1C(=O)N1CC2(CCN(C(=O)C#CC3CC3)C2)C1 1019251948 YLGYOVMCMBNABJ-ZDUSSCGKSA-N 315.373 -0.403 30 20 DBED N#Cc1cc(C(=O)N[C@H]2C[C@@H](N[C@@H]3CCC(=O)NC3=O)C2)c[nH]1 1021983710 CVGSMZRZAHIDIY-JFGNBEQYSA-N 315.333 -0.458 30 20 DBED O=C(C[C@@H]1CCCO1)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1023110506 CVDXKQVRIOIKSE-BFHYXJOUSA-N 306.362 -0.343 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)[C@@]1(C)CNC(=O)C1 1026622106 QMTWFQZEICWSAQ-CJBNDPTMSA-N 317.389 -0.111 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)C[C@@H]3CCC(=O)N3)C2)C1=O 1031094235 PZGHWSSVJCTJCK-WCQYABFASA-N 320.393 -0.758 30 20 DBED C=CCN1CC[C@H](N2CC(CNC(=O)c3cnn(C)c3)C2)C1=O 1031539285 CTKIHIUBEMGYGM-AWEZNQCLSA-N 317.393 -0.131 30 20 DBED C=CCN1CC[C@@H](N2CC(CNC(=O)c3nc[nH]n3)C2)C1=O 1032058158 HOAJBAQVRTYPRY-LLVKDONJSA-N 304.354 -0.747 30 20 DBED Cn1nnc(CN2C[C@@H]3C[C@H]2CN3C(=O)c2ccc(C#N)[nH]2)n1 1032362486 DMQPSMBBUSUPRB-QWRGUYRKSA-N 312.337 -0.491 30 20 DBED C=C(Cl)CN1CC[C@H](N(C)C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 1033463467 OGHZDUAFPUVCLE-UWVGGRQHSA-N 314.773 -0.130 30 20 DBED CCN(C(=O)c1cc(=O)n2[nH]cnc2n1)[C@@H]1CCN(CC#N)C1 1034018637 HAVLLBUZCUXPNW-SNVBAGLBSA-N 315.337 -0.522 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)CN3CCN(C)C(=O)C3)CC[C@H]21 1036752673 CXLWESAHVFDQDY-HUUCEWRRSA-N 318.421 -0.684 30 20 DBED C#CCN1CC[C@H]2CN(C(=O)CN3CCCNC3=O)CC[C@H]21 1036759641 OVSQNICMLKZKPY-UONOGXRCSA-N 304.394 -0.042 30 20 DBED C=CCOCC(=O)N1CC[C@@](O)(CNC(=O)C#CC(C)C)C1 1039663331 CWOAVOSFHNUZBU-MRXNPFEDSA-N 308.378 -0.072 30 20 DBED C#CCN1[C@H]2CCC[C@H]1CN(C(=O)CC[C@@H]1NC(=O)NC1=O)C2 1039995368 KOKWBMHXOXDCKV-AVGNSLFASA-N 318.377 -0.327 30 20 DBED C#CCOCCC(=O)N1CC[C@@](O)(CNC(=O)[C@H]2CCOC2)C1 1040054622 ZTNCNFVCHBPIHP-XJKSGUPXSA-N 324.377 -0.858 30 20 DBED C[C@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)CCc2cn[nH]c2)C1 1040761344 CLAZVZIPNYCMGD-ABAIWWIYSA-N 319.365 -0.418 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@]1(O)CCN(C(=O)COC)C1 1040950472 PKCUHPRHWMFXHJ-XUJVJEKNSA-N 312.366 -0.697 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@]2(CCN(Cc3nnn(C)n3)C2)C1 1041144878 BMCRKADGCUAXDU-RISCZKNCSA-N 303.370 -0.206 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)c2ccccn2)C1 1041176085 YJROEVKZPLSKFK-UHFFFAOYSA-N 317.345 -0.575 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)COCC2CC2)C1 1041645675 JZEJFLHDRAQXJL-UHFFFAOYSA-N 312.366 -0.695 30 20 DBED C[C@@H]1CN(c2ncccc2C#N)C[C@H]1NC(=O)Cn1cnnn1 1041760198 JVHVQECEVINYHR-ZYHUDNBSSA-N 312.337 -0.419 30 20 DBED CC(C)(C)C#CC(=O)N1CC(O)(CNC(=O)[C@H]2CCC(=O)N2)C1 1042071760 ZXFMEUFITJCRTL-LLVKDONJSA-N 321.377 -0.996 30 20 DBED C#CCCN1CC[C@@H]2CCN(C(=O)C3CS(=O)(=O)C3)C[C@@H]21 1042075555 DGCCTDUOUHXPLA-OCCSQVGLSA-N 310.419 -0.023 30 20 DBED Cn1cnc(C(=O)N2CC[C@H]3CCN(CC#N)[C@@H]3C2)cc1=O 1042099648 GUHROHWRFJTRHL-DGCLKSJQSA-N 301.350 -0.160 30 20 DBED C[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1NC(=O)Cn1nccn1 1042243116 XUVVZWOBLDMJBB-ZYHUDNBSSA-N 312.337 -0.419 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)C2(C)CCC2)C1 1043043511 MPBGKDOGFBNOBK-LBPRGKRZSA-N 308.378 -0.096 30 20 DBED C[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1Nc1nccnc1C#N 1043448282 SIVWDBBRQWCHSV-PSASIEDQSA-N 313.325 -0.556 30 20 DBED N#Cc1nccc(N2C[C@H](O)[C@H](NC(=O)Cc3ccco3)C2)n1 1044130243 ZMQFSQVPDAEDHB-NEPJUHHUSA-N 313.317 -0.150 30 20 DBED C[C@H]1C[C@@H](NCC#N)CCN1C(=O)CN1CC(=O)N(C)C1=O 1044816019 IPKPNKYSPOWQGA-QWRGUYRKSA-N 307.354 -0.627 30 20 DBED C=C[C@@H](C)[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2cnnn2C)C1 1044979986 JFXFEWBBAGKIHM-GHMZBOCLSA-N 321.381 -0.424 30 20 DBED C=CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)c2cccnn2)C1 1045236841 LVLVYOGIAOKQNJ-LLVKDONJSA-N 320.349 -0.629 30 20 DBED C#CCN1CC[C@@H](N2CCN(C(=O)[C@H]3CC(=O)N(C)C3)CC2)C1 1046033776 KQTNWGMXRPRKGM-LSDHHAIUSA-N 318.421 -0.684 30 20 DBED C=CCCC(=O)N(C)[C@H]1CN(C(=O)[C@H](COC)OC)C[C@@H]1O 1048528166 WCSZOYOAKFBESU-AVGNSLFASA-N 314.382 -0.356 30 20 DBED C=CCCC(=O)N(C)[C@H]1CN(C(=O)[C@@H](C)CC(N)=O)C[C@@H]1O 1048539098 BGSOFFQAYAXDHN-SRVKXCTJSA-N 311.382 -0.506 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCc2nc[nH]n2)C1 1048645987 YMQUMIHZHWZHTA-RYUDHWBXSA-N 321.381 -0.266 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cnnn2C)C1 1048765387 HOOAUNUSEZDPMW-STQMWFEESA-N 319.365 -0.738 30 20 DBED C=CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cn(C)nn2)C1 1048782172 MFAXCIYXRIAVPU-STQMWFEESA-N 321.381 -0.185 30 20 DBED Cc1cc(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)C#N)C2)nn1C 1049389007 QTWLXIAOUNIQMR-ICCXJUOJSA-N 319.365 -0.468 30 20 DBED CC#CCN1CC[C@H]2[C@H]1CCCN2C(=O)CN1C(=O)CNC1=O 1049885427 NGILLZXFQOGFEN-OLZOCXBDSA-N 318.377 -0.373 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)c1cccn2c(O)nnc12 1051204556 NZKYUNAJUKHNAC-NSHDSACASA-N 315.333 -0.501 30 20 DBED C#CCCN1CCOC[C@@H]1CNC(=O)[C@H]1CCc2nn[nH]c2C1 1051208903 FNGPJNMOTCGCII-STQMWFEESA-N 317.393 -0.250 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)c1cccnc1C(N)=O 1051255823 UCTJOBWFIVLYRN-NSHDSACASA-N 302.334 -0.756 30 20 DBED C=CCOCC(=O)N[C@H](C)[C@@H]1CCN(C(=O)c2nc[nH]n2)C1 1051337940 QRDWFNDHCHQXJB-GHMZBOCLSA-N 307.354 -0.026 30 20 DBED N#Cc1ccc(N(CCO)C2CCN(C(=O)C(N)=O)CC2)nc1 1051506817 WIUVWYGCAZAGHZ-UHFFFAOYSA-N 317.349 -0.772 30 20 DBED C#CCN1CCC(C(=O)N2CCOC3(CN(CC#N)C3)C2)CC1 1053540896 KNAYNPDTPXQBMH-UHFFFAOYSA-N 316.405 -0.232 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)c3cc(=O)n(C)o3)CO2)C1 1053786116 AZBXVFGLLGBMDX-LLVKDONJSA-N 305.334 -0.425 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)c3cn4c(n3)COCC4)CO2)C1 1053848192 TVZWKKJYSJYBSI-GFCCVEGCSA-N 316.361 -0.380 30 20 DBED Cn1nnc(C(=O)NC2[C@@H]3CN(c4ccncc4C#N)C[C@@H]23)n1 1056372129 IIYFKLSSOYILKQ-NXEZZACHSA-N 310.321 -0.659 30 20 DBED N#Cc1cncc(N[C@@H]2CCN(C(=O)[C@@H]3CCNC3=O)C2)n1 1056744916 LTFWSJSVJRSTJX-MWLCHTKSSA-N 300.322 -0.503 30 20 DBED C=CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)c1ccnn1C 1057153564 COJYGGOCPZJPNH-LBPRGKRZSA-N 324.381 -0.438 30 20 DBED C#Cc1ccc(C(=O)NCCN(CCO)C(=O)CC(N)=O)cc1 1057248143 ZEOTVFVACAHZMR-UHFFFAOYSA-N 317.345 -0.906 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)C[C@@H]1COC(=O)C1 1057346382 AEQYLUNSNSIZGQ-QWRGUYRKSA-N 311.338 -0.964 30 20 DBED C#CCO[C@H](C)C(=O)N(CCO)CCNC(=O)CSC 1057583550 SVYSRKCFIADBII-LLVKDONJSA-N 302.396 -0.675 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)c1[nH]c(O)nc1C 1057887645 HKFTXNVXABJKGU-UHFFFAOYSA-N 310.354 -0.059 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)c1cn(C)nc1OC 1058282755 OOIIQIGHSYDAEJ-UHFFFAOYSA-N 324.381 -0.054 30 20 DBED N#Cc1cnc(N2CC[C@@H](NC(=O)C3CS(=O)(=O)C3)C2)cn1 1058456295 KUZSTXAMILDJOM-SNVBAGLBSA-N 321.362 -0.912 30 20 DBED Cc1cc(C#N)nc(N2CCC3(CC2)C[C@H]3NC(=O)C(N)=O)n1 1058645290 BTQGVVGEQYOQML-LLVKDONJSA-N 314.349 -0.383 30 20 DBED C#CCO[C@H](C)C(=O)N1CCOC[C@H]1CNC(=O)COCC=C 1061423285 GZSXJSLMJUUZPP-ZIAGYGMSSA-N 324.377 -0.429 30 20 DBED C=CCCCC(=O)NC[C@@H]1COCCN1C(=O)Cn1cncn1 1061831761 YAHJKQCMCSFBDU-CYBMUJFWSA-N 321.381 -0.022 30 20 DBED C=CCCOCC(=O)NCC1(NC(=O)Cn2ncnn2)CCC1 1063422977 VWIJNGNFYSSDAG-UHFFFAOYSA-N 322.369 -0.579 30 20 DBED CS(=O)(=O)CC(=O)N1CCC[C@@H]1CNc1nccnc1C#N 1063447953 PJOBZBYUTKDQNZ-SNVBAGLBSA-N 323.378 -0.204 30 20 DBED N#Cc1ccc(N2CCO[C@@H](CNC(=O)c3nc[nH]n3)C2)nc1 1063639573 RTFGUTIHQDBCNI-NSHDSACASA-N 313.321 -0.293 30 20 DBED CC(=O)N[C@H](C)C(=O)NC[C@H]1CN(C(=O)C#CC(C)C)CCO1 1065125000 SDCLUGXUGRBXAK-OCCSQVGLSA-N 323.393 -0.486 30 20 DBED CCN(C)CCC(=O)N1CCO[C@@H](CNC(=O)[C@@H](C)C#N)C1 1065611628 HARLCKRNHAASFC-STQMWFEESA-N 310.398 -0.169 30 20 DBED Cc1cc(=N[C@@H](C)[C@@H]2CCN(C(=O)C(N)=O)C2)c(C#N)c[nH]1 1065766663 MKJAGQZOENBURD-WDEREUQCSA-N 301.350 -0.182 30 20 DBED C=CCOCC(=O)N[C@H]1CCCN(C(=O)[C@@H]2CCNC2=O)CC1 1065983256 ZUAHFTUAOLLPGR-QWHCGFSZSA-N 323.393 -0.178 30 20 DBED N#Cc1ccc(N2C[C@H](CNC(=O)c3nc[nH]n3)[C@@H](O)C2)cn1 1067675481 CEKHGOJTCDZSAJ-CABZTGNLSA-N 313.321 -0.702 30 20 DBED N#Cc1cnccc1N1C[C@H](CNC(=O)c2ncccn2)[C@@H](O)C1 1067677964 LSASGBRFODWTJK-JSGCOSHPSA-N 324.344 -0.030 30 20 DBED Cn1nnc(C(=O)NCC2[C@H]3CN(c4ccncc4C#N)C[C@H]23)n1 1068192173 IWUGXDDLMQVWGY-VXGBXAGGSA-N 324.348 -0.411 30 20 DBED C=CCCC(=O)N1CC2(C1)CN(C(=O)[C@H]1COC(=O)N1)CCO2 1068390354 GEPKFWCZNDNTHB-LLVKDONJSA-N 323.349 -0.499 30 20 DBED C=CCCC(=O)N1CC2(C1)CN(C(=O)c1ncn(C)n1)CCO2 1068390978 DEAVAGGCQSPABY-UHFFFAOYSA-N 319.365 -0.165 30 20 DBED N#Cc1nccnc1NC[C@H]1C[C@H](NC(=O)[C@@H]2COC(=O)N2)C1 1068481235 HRDNALWYIYOBMB-QXEWZRGKSA-N 316.321 -0.237 30 20 DBED C=CCOCC(=O)N[C@@H]1COC2(C1)CN(C(=O)c1cocn1)C2 1068763748 BCZBQYGKTKLFEP-NSHDSACASA-N 321.333 -0.023 30 20 DBED CN(C(=O)[C@@H]1CCNC1=O)C1CC(N=c2cc[nH]cc2C#N)C1 1069788045 QCTWMGMERZGYIR-WXRRBKDZSA-N 313.361 -0.087 30 20 DBED C=CCN[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)C[C@@H]1n1ccnn1 1070313297 FDRAGWKUHPSHEV-TUAOUCFPSA-N 304.354 -0.916 30 20 DBED Cn1cnc([C@@H]2CN(C(=O)[C@@]3(F)CCOC3)C[C@H]2NCC#N)c1 1070526118 RDVVKUOXDIKCSN-NJZAAPMLSA-N 321.356 -0.044 30 20 DBED C#CCOCCC(=O)N1CCC[C@@H](NC(=O)CCCC(N)=O)C1 1070730612 MNEBNXORSASQLB-CYBMUJFWSA-N 323.393 -0.211 30 20 DBED C[C@H]1CCN(CC(=O)N2CCC(=O)NCCN(CC#N)CC2)C1 1071000357 ZICGSORGPXDCOW-AWEZNQCLSA-N 321.425 -0.498 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(C(=O)COCCC)C[C@@H]1C 1071754617 BBXJPKIXWXKYNX-QWHCGFSZSA-N 323.393 -0.484 30 20 DBED C#CCCN1CCC2(C1)CN(C(=O)C1CC(=O)NC(=O)C1)C2 1073057129 JZTNQQRTHYPTRD-UHFFFAOYSA-N 303.362 -0.403 30 20 DBED C=C(C)CCC(=O)N1CCN(C2CN(C(=O)C(N)=O)C2)CC1 1073576757 YAYFGHQFAPCHSO-UHFFFAOYSA-N 308.382 -0.817 30 20 DBED C=CCN1CCO[C@@H]2CCN(C(=O)CN3CCOCC3)C[C@@H]21 1074219866 XDCWNMJTWAJQGD-LSDHHAIUSA-N 309.410 -0.194 30 20 DBED COc1cc(C(=O)N2CC[C@@H]3OCCN(CC#N)[C@H]3C2)ncn1 1074242114 SJGDAUHCXSYXJJ-STQMWFEESA-N 317.349 -0.076 30 20 DBED O=C(NCC1(O)CCN(C(=O)C#CC2CC2)CC1)c1cc[nH]n1 1074580896 AYBLHXCFUKUKSE-UHFFFAOYSA-N 316.361 -0.094 30 20 DBED C=CCN1CC[C@@H](NC[C@]2(C)CN(C(=O)C(N)=O)C[C@H]2C)C1=O 1075170475 VVOCQHAYDCYYLL-XHBSWPGZSA-N 322.409 -0.667 30 20 DBED C=CCOCC(=O)NCC[C@H](C)NC(=O)[C@H]1CCN(C)C1=O 1075922082 DBIWQZLEHBUIEC-NWDGAFQWSA-N 311.382 -0.322 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)[C@H]1CCCCO1 1076162227 SDQVXVHDDGWXMZ-QWHCGFSZSA-N 323.393 -0.294 30 20 DBED C#CCO[C@@H](C)C(=O)NCC[C@H](C)NC(=O)Cc1nnc(C)o1 1076507496 JATZDQBGNWENBS-QWRGUYRKSA-N 322.365 -0.030 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3cnn(C)c3C2)C1 1077573849 SYTLDMKNRARUGX-NJZAAPMLSA-N 302.378 -0.681 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@]2(C)CCN(C(C)=O)C2)C1 1077963780 GJRBMPAVAKPZII-IIAWOOMASA-N 307.394 -0.571 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)Cc2c(C)nc(C)nc2O)C1 1078168818 NUYVFAQVOBXVET-ZIAGYGMSSA-N 318.377 -0.474 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)N2CCCCC2=O)C1 1078224379 GWUINIIHSXGVCX-MGPQQGTHSA-N 307.394 -0.428 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)c2ccc(C(N)=O)cn2)C1 1078266738 BCUHVAFNGZPJFE-VXGBXAGGSA-N 324.768 -0.292 30 20 DBED Cn1cc(C(=O)N2C[C@H]3CC[C@H]2[C@H](NCC#N)C3)ncc1=O 1079000335 LDLMNGXOXJKROU-LOWVWBTDSA-N 301.350 -0.113 30 20 DBED CCN(C(=O)C#CC(C)C)C1CN(C(=O)Cn2cnnc2O)C1 1079724154 BRIVLRHRDVVTIV-UHFFFAOYSA-N 319.365 -0.298 30 20 DBED CC#CCN1C[C@@H](NC(=O)CN2CCC(=O)NC2=O)[C@H](C)C1 1080733527 YUZRRFIUBKJGLR-VXGBXAGGSA-N 306.366 -0.612 30 20 DBED C=C(C)C(C)(C)C(=O)NC[C@H]1CN(C(=O)CC(N)=O)C[C@H]1O 1081640912 SFBXGJYJKQPWEO-WDEREUQCSA-N 311.382 -0.600 30 20 DBED CC#CCN1C[C@@H](NC(=O)[C@@]2(C)CCNC(=O)C2)[C@H](OC)C1 1081849295 OQEQFANJIQHFDB-IOASZLSFSA-N 307.394 -0.259 30 20 DBED C=CCOCC(=O)N1CCCC[C@H]1CNC(=O)Cn1cncn1 1081959049 REDPKZLDXQZKLL-ZDUSSCGKSA-N 321.381 -0.022 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2cc(-c3ccoc3)[nH]n2)C1 1084059006 UVKWETXXCYGLHM-OLZOCXBDSA-N 301.306 -0.032 30 20 DBED Cc1cnc2nc(C(=O)N[C@H]3CCN(CC#N)C[C@@H]3O)nn2c1 1090350398 VUEFBBNHIHIKTM-QWRGUYRKSA-N 315.337 -0.879 30 20 DBED CCOCC(=O)N[C@@H]1CN(c2ncc(C#N)cc2F)C[C@H]1O 1090365152 LKDALITWRUMPHO-VXGBXAGGSA-N 308.313 -0.205 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2ccc(=O)n(C)c2)[C@H](O)C1 1090390541 ICJFNCTZFYQJDZ-UONOGXRCSA-N 303.362 -0.426 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)Cn2ccccc2=O)[C@@H](O)C1 1090797960 IZAMHGLZBJCJFX-KGLIPLIRSA-N 305.378 -0.024 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2cccnc2C(N)=O)[C@@H](O)C1 1090822770 CUIZMBCLLPFLDJ-STQMWFEESA-N 316.361 -0.631 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(c2nccnc2C#N)C[C@H]1O 1092153502 IOVQYDXHZHKEPR-WCQYABFASA-N 317.349 -0.393 30 20 DBED C=CCN1CC2(C[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)c3nccn32)C1 1092399037 QCNOCIFBAGCARS-GRYCIOLGSA-N 315.377 -0.238 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)Cc3nc[nH]n3)c3nccn32)C1 1092407530 NEJZJDDECRTDMG-LLVKDONJSA-N 311.349 -0.551 30 20 DBED Cn1nnc2c(NCCNC(=O)c3ccc(C#N)[nH]3)ncnc21 1093588321 WEILMUXADHHCEM-UHFFFAOYSA-N 311.309 -0.200 30 20 DBED N#Cc1ccc(NCCNC(=O)Cn2ccc(O)nc2=O)cn1 1093973657 IAFBVWQAVAGDQU-UHFFFAOYSA-N 314.305 -0.556 30 20 DBED C=CCN1CC(n2cc(CNC(=O)[C@@H]3C[C@@H]3C(=O)OC)nn2)C1 1094279370 JJMYEPHVEOQAHN-OLZOCXBDSA-N 319.365 -0.254 30 20 DBED C=CCCN1CC(n2cc(CNC(=O)[C@H]3C[C@H]3C(N)=O)nn2)C1 1094319089 OWCXOEWCUVWNFZ-OLZOCXBDSA-N 318.381 -0.552 30 20 DBED CC#CCN1CC(N2C[C@@H](NC(=O)C[C@H]3CCCO3)CC2=O)C1 1094710852 XQARZJXBVYPRMI-DZGCQCFKSA-N 319.405 -0.020 30 20 DBED Cn1ncc(CCC(=O)NCCCN=c2cc[nH]c(C#N)n2)n1 1094789791 MJKRHZVQAZBEQZ-UHFFFAOYSA-N 314.353 -0.550 30 20 DBED C=C(C)CN1CC(N2C[C@@H](NC(=O)[C@H]3CCN(C)C3)CC2=O)C1 1094815646 ZDDUZVAVQWETOK-KBPBESRZSA-N 320.437 -0.085 30 20 DBED CNC(=O)CC(=O)NCCCCCCN=c1cc[nH]c(C#N)n1 1094945328 ZLHHHZRAFSJHBZ-UHFFFAOYSA-N 318.381 -0.005 30 20 DBED CCCNC(=O)CCC(=O)NC[C@H](C)N=c1cc[nH]c(C#N)n1 1097965254 VOZFHWFBKTVSFI-NSHDSACASA-N 318.381 -0.007 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H](C)Nc1ncnc2c1nnn2C 1098061699 SNCCTNSHRKMVGO-NXEZZACHSA-N 317.353 -0.287 30 20 DBED C[C@@H](C(=O)NC[C@@H](C)Nc1nccnc1C#N)S(C)(=O)=O 1098392613 HIOZJIJNUHIEAZ-BDAKNGLRSA-N 311.367 -0.302 30 20 DBED Cn1ncnc1CN1CC[C@@H](NC(=O)CSCC#N)[C@H](O)C1 1099692807 HPTGZSNVPLGNTB-GHMZBOCLSA-N 324.410 -0.877 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H](O)C1 1099782738 GAZBWAZXQGNALT-CABCVRRESA-N 316.361 -0.299 30 20 DBED C#CCCCCC(=O)N[C@H]1CCN(CC(=O)N2CCC2)C[C@@H]1O 1099785151 BDSBCFHQLXRCJL-GJZGRUSLSA-N 321.421 -0.036 30 20 DBED CN1CCO[C@@H](C(=O)NCCN(C)c2nccnc2C#N)C1 1099996468 IWPJBHUCPKAPGL-GFCCVEGCSA-N 304.354 -0.769 30 20 DBED CCNC(=O)NC(C)(C)C(=O)N[C@H]1CCN(CC#N)C[C@@H]1O 1100025800 ZJNPNKPOQJOLGC-QWRGUYRKSA-N 311.386 -0.841 30 20 DBED C=CCCN1CC[C@H](NC(=O)COCc2nncn2C)[C@H](O)C1 1100057960 LDJGTUOQYQFKIG-QWHCGFSZSA-N 323.397 -0.541 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2oncc2C)[C@H](O)C1 1100061555 DIVUOOBFLGAGRU-QWHCGFSZSA-N 307.350 -0.202 30 20 DBED CCOCCOCCCC(=O)N[C@H]1CCN(CC#N)C[C@H]1O 1100076163 HKJQPJULQYOSPO-UONOGXRCSA-N 313.398 -0.105 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CCC(=O)NCCC)[C@@H](O)C1 1100078053 CKJYZVJXGWQGFG-KGLIPLIRSA-N 309.410 -0.133 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CCCC(=O)NCC)[C@@H](O)C1 1100078181 DXHXGGDRAZFWRQ-KGLIPLIRSA-N 309.410 -0.133 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)Cn2ccnc2C)[C@H](O)C1 1100110282 SSRDRAZHKADDRQ-HUUCEWRRSA-N 320.393 -0.607 30 20 DBED CN(CCNC(=O)c1cnc2[nH]nnc2c1)c1ccc(C#N)nn1 1100382803 VXNQHZFNOTWWIF-UHFFFAOYSA-N 323.320 -0.119 30 20 DBED C[C@H](NC(N)=O)C(=O)NC[C@@H]1CCCN1c1ccc(C#N)nn1 1100825584 SZAGSANMUXERCT-ONGXEEELSA-N 317.353 -0.510 30 20 DBED C=CCCNC1CC(CNC(=O)CNC(=O)Cn2cncn2)C1 1101030210 PUZNRFBIOJXRTK-UHFFFAOYSA-N 320.397 -0.545 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1CNC(=O)[C@H](C)N1C(=O)CCC1=O 1102020890 BZEAPRLRQGTSRH-GRYCIOLGSA-N 306.366 -0.268 30 20 DBED COc1cc(C(=O)N(C)CCN=c2cc[nH]c(C#N)n2)nn1C 1102051378 OGXYNBAFBUPPAH-UHFFFAOYSA-N 315.337 -0.304 30 20 DBED C[C@H](CN=c1cc[nH]cc1C#N)CNC(=O)[C@@H]1CN(C)CCO1 1103889726 GSUSTOIYPHWRPW-DOMZBBRYSA-N 317.393 -0.130 30 20 DBED N#Cc1c(F)cccc1N1CCO[C@@H](CNC(=O)C(N)=O)C1 1104344531 AXKLVDQKWYTQBV-VIFPVBQESA-N 306.297 -0.496 30 20 DBED C[C@H](CNc1nccnc1C#N)N(C)C(=O)[C@@H]1COC(=O)N1 1104545588 RLDQVAWWVPHXJL-SCZZXKLOSA-N 304.310 -0.285 30 20 DBED C=CCOCC(=O)N1CC(n2cc(CNCC#CC)nn2)C1 1105192121 LMQUCVJDYILHJC-UHFFFAOYSA-N 303.366 -0.023 30 20 DBED C[C@H]1CN(C)C[C@@H]1C(=O)N1CC(n2cc(CNCC#N)nn2)C1 1105326745 DWDDGJSCMZXZRK-FZMZJTMJSA-N 317.397 -0.528 30 20 DBED Cc1cnn(CC(=O)NC[C@@H](O)CNc2nccnc2C#N)c1 1105733038 GLHFDXGLVCTIEF-LLVKDONJSA-N 315.337 -0.558 30 20 DBED CCn1cnc(C(=O)NC[C@H](O)CN=c2cc[nH]c(C#N)n2)c1 1105916490 NXJMLCASPKWLJV-SNVBAGLBSA-N 315.337 -0.811 30 20 DBED C#CCOCCC(=O)N1C[C@@H](C)[C@H](CNCc2nc(O)n[nH]2)C1 1106115196 QVVRZDRQZPRJRZ-VXGBXAGGSA-N 321.381 -0.266 30 20 DBED C[C@@H]1CN(C(=O)[C@@H]2CCCN(C(N)=O)C2)C[C@H]1CNCC#N 1106394352 SRBYUIWQTDXTSG-JHJVBQTASA-N 307.398 -0.015 30 20 DBED C[C@H](CCNc1cncc(C#N)n1)NC(=O)c1nnn(C)n1 1106522791 BTQQHOGDHZHCTI-MRVPVSSYSA-N 301.314 -0.508 30 20 DBED CN1CCC[C@H]1C(=O)NC/C=C/CN=c1cc[nH]c(C#N)n1 1107117324 RERKUPBDCTXIBY-JDGPPOGSSA-N 300.366 -0.051 30 20 DBED C=CCOCCN1CCO[C@@](C)(CNC(=O)Cn2cnnn2)C1 1107728110 RSTIVZRZYHHEPO-AWEZNQCLSA-N 324.385 -0.917 30 20 DBED CN1CC[C@@H](CC(=O)NC[C@]2(C)CN(CC#N)CCO2)C1=O 1108015321 VAYREYQSUOCDGI-SWLSCSKDSA-N 308.382 -0.415 30 20 DBED CC(C)CO[C@@H](C)C(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1 1108514953 IQLHFLPQCNINGB-QWHCGFSZSA-N 322.409 -0.028 30 20 DBED CC#CCN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CS(=O)(=O)NC)C2 1108826255 DOBKSLIMUYMOIN-XQQFMLRXSA-N 313.423 -0.472 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cnc(C)[nH]1 1109061763 SZXIKBJTXRGBHP-DYEKYZERSA-N 315.377 -0.197 30 20 DBED CC(=O)N(C)CC(=O)N[C@H]1[C@H]2C[C@H]1N(c1cnc(C#N)cn1)C2 1109682927 TWTRKWGSFIIPQH-NVBFEUDRSA-N 314.349 -0.480 30 20 DBED N#Cc1nccc(N2CC[C@](O)(CNC(=O)[C@H]3CCCO3)C2)n1 1111031003 BDERSLMFSVDHPI-ABAIWWIYSA-N 317.349 -0.415 30 20 DBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cnon1 1111166527 CMFZXJWMIPAKAJ-KKZNHRDASA-N 304.310 -0.956 30 20 DBED C#CCOCCC(=O)N(CCO)CCNc1ncc(F)cn1 1111510802 LPJBWOHKQJRLGP-UHFFFAOYSA-N 310.329 -0.112 30 20 DBED C[C@@H]1CN(c2ccc(C#N)nc2)CC[C@H]1NC(=O)CNC(N)=O 1112394296 ZEFHSAXZEOSMCA-ZWNOBZJWSA-N 316.365 -0.047 30 20 DBED C=CCNC[C@]12CCC[C@H]1CN(C(=O)CS(=O)(=O)NC)C2 1112580777 FAONOUBRCKXSQP-JSGCOSHPSA-N 315.439 -0.060 30 20 DBED Cc1cc(C#N)nc(N[C@@H](C)[C@H](C)NC(=O)Cn2ncnn2)n1 1113192871 CJONHSOMEXJPPI-UWVGGRQHSA-N 315.341 -0.352 30 20 DBED C[C@H](CNC(=O)[C@H]1CCCC(=O)N1)N(C)c1cnc(C#N)cn1 1113748420 BRTSKKLGNWFQMH-ZYHUDNBSSA-N 316.365 -0.042 30 20 DBED N#CCSCC(=O)NC1[C@H]2CN(CC(=O)N3CCC3)C[C@H]12 1113891068 LQIREBNCJUVIPZ-QWRGUYRKSA-N 308.407 -0.478 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@@H](C)OCC3CC3)[C@H]2C1 1113988072 PHUOMKPYVMEMHC-UYHMYPTGSA-N 319.405 -0.403 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)COC(C)(C)C)[C@H]2C1 1114164120 QTWCYJCWGHKBAV-JYAVWHMHSA-N 307.394 -0.403 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)Cc3ccoc3)[C@H]2C1 1114166675 WPUQNNFXJIQLJV-STQMWFEESA-N 301.346 -0.382 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)Cc3ccnn3C)[C@H]2C1 1114185804 BODTXMHBQIJWBS-FOLVSLTJSA-N 302.378 -0.341 30 20 DBED COCC#CCN1C[C@@H]2C(NC(=O)c3ccn(C)c(=O)c3)[C@H]2C1 1114474993 RQVXLEYBUGDONH-KBPBESRZSA-N 315.373 -0.305 30 20 DBED N#Cc1ccc(N2C[C@H]3[C@H](CNC(=O)Cn4cnnn4)[C@H]3C2)cn1 1114509350 XHNNZYSZHPJLOX-ZSOGYDGISA-N 324.348 -0.562 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)CC(=O)N(C)C)[C@H]2C1 1114947791 QUIILHRAPONOSI-UUIJZJDISA-N 322.409 -0.798 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)CCCCC(N)=O)[C@H]2C1 1115085554 FCBAERSSTMEILO-ATCWAGBWSA-N 322.409 -0.619 30 20 DBED C=CCNC(=O)CNC(=O)Cc1ccc(S(N)(=O)=O)s1 1116486157 AMVBHARLFHQQIA-UHFFFAOYSA-N 317.392 -0.644 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCC(NC(C)=O)CC1)[C@@H]1CCCO1 1117544964 SQHXKVHLQFITHA-KBPBESRZSA-N 321.377 -0.590 30 20 DBED CC1(C)C[C@@H](NC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)CCO1 1118151942 RJVAOZFQKBBHGP-NHYWBVRUSA-N 309.366 -0.063 30 20 DBED C=CCN(C(=O)C(=O)NCCO[C@H]1CCOC1)[C@@H](C)COC 1119852230 RKOLTMPJYLDYGW-STQMWFEESA-N 314.382 -0.042 30 20 DBED C#CCOCCn1nnnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1120253358 YXQAVKWOMSPETN-JSGCOSHPSA-N 307.354 -0.293 30 20 DBED C[C@H](CN(C)C(=O)[C@H]1CCNC1=O)Nc1cnc(C#N)cn1 1120408104 LACKFNUXFAIREZ-KOLCDFICSA-N 302.338 -0.257 30 20 DBED CS(=O)(=O)[C@H]1CCN(C(=O)C(=O)N2CCC[C@@H](C#N)C2)C1 1120446792 QRLDSTLKKOOJPO-QWRGUYRKSA-N 313.379 -0.606 30 20 DBED CN(C[C@@H](O)CNc1nccnc1C#N)C(=O)[C@@]1(F)CCOC1 1124664942 CBROXNLJOWWNSO-IINYFYTJSA-N 323.328 -0.292 30 20 DBED CC(C)[C@@H](O)C(=O)N(C)C[C@H](O)CN(C)c1ccnc(C#N)n1 1125074395 DAMJTGRFCGKEEW-BXUZGUMPSA-N 321.381 -0.379 30 20 DBED C=CCOCCCC(=O)NCCNCCN1C(=O)CNC1=O 1125255325 ACHPNCCHHVSBRN-UHFFFAOYSA-N 312.370 -0.773 30 20 DBED C=CCCCNCc1nnc2n1CC[C@H](NC(=O)C(N)=O)CC2 1128048830 PWCLQIYVVMNKHD-LLVKDONJSA-N 320.397 -0.360 30 20 DBED CCC[C@@H](OC)C(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1 1129144643 PLTNQUZYMMWHOV-FRRDWIJNSA-N 306.370 -0.042 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1cccc2nc(O)[nH]c12 1129688051 TUSUCNZPEOMRSN-UHFFFAOYSA-N 317.349 -0.110 30 20 DBED C#CCN1CCOC[C@H]1c1n[nH]c(CNC(=O)[C@H](C)C#N)n1 1130835441 MSGQKMHDHYONJP-MNOVXSKESA-N 302.338 -0.413 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 1131506009 JKCDDXKFFFWFDL-ZOBORPQBSA-N 307.394 -0.355 30 20 DBED COCC#CCNC[C@H]1CN(C(=O)CNC(C)=O)CC[C@@H]1C 1132602329 DHHDTASXDRGHGI-ZFWWWQNUSA-N 309.410 -0.154 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)CCc1ccc(O)nc1 1132856158 OTBWSYFHQLZXIS-GFCCVEGCSA-N 318.377 -0.437 30 20 DBED C[C@@H]1CCN(C(=O)CN2CCN(C)C(=O)C2)C[C@H]1CNCC#N 1132934159 ZTZSLFXLCRLURI-ZIAGYGMSSA-N 321.425 -0.642 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)NCCN[C@H]1CCCN(C)C1=O 1134816654 GNVGFYGZVKVVHE-UONOGXRCSA-N 324.425 -0.216 30 20 DBED C[C@H](C[C@@H](C)NC(=O)CN1CCS(=O)(=O)CC1)NCC#N 1146313606 HWDACDKXKLSVOM-VXGBXAGGSA-N 316.427 -0.887 30 20 DBED C[C@@H](C[C@H](C)NC(=O)CCCC(N)=O)NCC(=O)NCC#N 1146798118 OKCLAKHZZVLKQJ-QWRGUYRKSA-N 311.386 -0.845 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)[C@H]1CCN(C(=O)CC)C1 1146912576 SCQLHDJTXRQJSG-STQMWFEESA-N 324.425 -0.359 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)Cc1nc[nH]n1 1147271547 IDBPZFBRWZVLSY-UHFFFAOYSA-N 306.370 -0.746 30 20 DBED Cn1ncc(C(=O)NCCNCC(=O)NCC#N)c1C(F)F 1147409626 GEWLAZRCHQZMOP-UHFFFAOYSA-N 314.296 -0.683 30 20 DBED COCC#CCN1CCC2(C1)CN(C(=O)C[C@H](C)NC(N)=O)C2 1147564271 AMQUCWYMMFRBSJ-ZDUSSCGKSA-N 322.409 -0.383 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)CCCC(=O)NC(C)C 1148256704 FDMJJLGZMKPJLJ-ZDUSSCGKSA-N 324.425 -0.475 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1ccc(NC(C)=O)cc1 1148808669 BGVOXOWHDBOVFF-UHFFFAOYSA-N 316.361 -0.286 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCCO[C@@H](CNC(=O)C(C)C)C1 1149193975 DKRSLKGVHSALTL-KGLIPLIRSA-N 309.410 -0.013 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)[C@H](C)N2C(=O)CCC2=O)C1 1149816512 BQFKGAMTSRSQKA-QWHCGFSZSA-N 321.377 -0.636 30 20 DBED C=C(Cl)CN1CCCO[C@H](CNC(=O)CNC(=O)NC)C1 1149816857 IJYBVOCRUMRLPV-LLVKDONJSA-N 318.805 -0.125 30 20 DBED C#CCCNCCCNC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 1158036636 DWKYAGJJRQUYKD-LBPRGKRZSA-N 303.366 -0.118 30 20 DBED N#CCN1CC=C(CCNC(=O)c2nnc(O)nc2O)CC1 1160617077 FQCJRYNRDQYQIM-UHFFFAOYSA-N 304.310 -0.442 30 20 DBED C=CCn1cc(C(=O)NCCCN[C@@H](C)C(=O)N(C)C)nn1 1167838343 DNCAOIKYSIHSBL-NSHDSACASA-N 308.386 -0.350 30 20 DBED C[C@H](CCCCNCC(=O)NCC#N)NC(=O)[C@H]1CCN(C)C1 1176563944 IJOVFDRBBSTLLT-KGLIPLIRSA-N 323.441 -0.158 30 20 DBED C#CCCN1CCO[C@@H]2CCN(C(=O)CC(=O)NCC)C[C@H]21 1176995954 ZHEXHWPHVOKOTO-ZIAGYGMSSA-N 307.394 -0.162 30 20 DBED Cc1ncoc1C(=O)N1CC[C@H](NCC(=O)NCC#N)[C@@H]1C 1178422532 QEISBJPJYYJRCV-QWRGUYRKSA-N 305.338 -0.185 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N[C@@H]1CCN(C(=O)COC)C1 1180547011 LADKWMTUPUZXBH-WDEREUQCSA-N 312.370 -0.776 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2snnc2CC)C1 1184032384 GADSHSXPVFUPED-SNVBAGLBSA-N 321.406 -0.346 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)CCc2cnn[nH]2)C1 1185750138 UEQMZNCEPWNKQP-DGCLKSJQSA-N 318.381 -0.934 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2cccnn2)C1 1186510996 BWFYTKRIZFXYLB-VXGBXAGGSA-N 303.366 -0.029 30 20 DBED N#CCNC[C@@H]1CN(C(=O)CCNC(N)=O)CC12CCOCC2 1186552596 IDSLZSVMEFHUBN-GFCCVEGCSA-N 323.397 -0.587 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)C[C@@H]2CCN(C)C2)C1 1187083793 QOMOITUMOSFRBG-UONOGXRCSA-N 306.410 -0.732 30 20 DBED C=CCOCC(=O)N1CC[C@H]2CN(Cc3nc(O)n[nH]3)C[C@H]21 1187320365 QNSKEAPKWMNGEB-WDEREUQCSA-N 307.354 -0.254 30 20 DBED C=CCCCN[C@@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 1188124938 GUXUFCKBPZFMDZ-LLVKDONJSA-N 306.370 -0.466 30 20 DBED C=CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3cncn3C)[C@@H]2C1 1188463996 FWHVWXPNBDNOTN-GXTWGEPZSA-N 317.393 -0.131 30 20 DBED CN(CC(=O)NCC#N)[C@H]1CCN(C(=O)Cc2ccoc2)C1 1189797367 MZXIMLLSYCLHKO-ZDUSSCGKSA-N 304.350 -0.005 30 20 DBED C=CCCCN1C[C@@H](O)[C@H](NC(=O)[C@H](C)NC(=O)COC)C1 1193166963 QDRWUZYWIJOGRZ-YNEHKIRRSA-N 313.398 -0.735 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(CCOCC=C)C[C@H]1O 1193849155 JJSPSOAJESACLU-OWCLPIDISA-N 321.421 -0.552 30 20 DBED COCCOC[C@@H](O)CN1CCCN(C(=O)[C@@H](C)C#N)CC1 1195314812 UJYMKSHJTXLJFF-KBPBESRZSA-N 313.398 -0.296 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H](C)CC(C)C)C1 1197243783 DNPYABMEKKNUFI-MGPQQGTHSA-N 309.410 -0.421 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)COCc2ncnn2C)C1 1197365210 AEKFNUANQUOSSJ-VXGBXAGGSA-N 309.370 -0.931 30 20 DBED C#CCN[C@H](CNC(=O)Cn1cnnn1)c1ccccc1OC 1198522742 PMEHOTAMXUGEJX-CYBMUJFWSA-N 314.349 -0.238 30 20 DBED C=CCCC(=O)N1CCCO[C@H](CNCc2nnn(C)n2)C1 1200083257 DYFVMGKTDREWEC-GFCCVEGCSA-N 308.386 -0.117 30 20 DBED C#CCOCCC(=O)N1CCC(NCC(=O)N2CCC2)CC1 1200513566 HFUJCQHKKNXUQE-UHFFFAOYSA-N 307.394 -0.161 30 20 DBED C#CCNC[C@H]1CN(C(=O)C(=O)Nc2cc(C)on2)CCCO1 1202069640 OAHWCDYWIZSSEA-LBPRGKRZSA-N 320.349 -0.238 30 20 DBED C=CCOCC(=O)N1CCC(CNCC(=O)NC(N)=O)CC1 1204793894 RBMRAIABXGIDGU-UHFFFAOYSA-N 312.370 -0.788 30 20 DBED C=CCOCC(=O)N1CCC[C@@H](NCCNS(C)(=O)=O)C1 1207679616 BYDZVIWVCDGQLM-GFCCVEGCSA-N 319.427 -0.681 30 20 DBED CCNC(=O)NC(=O)CN[C@@H]1CCCN(C(=O)[C@@H](C)C#N)C1 1207687480 FZIORISHSIBQRH-WDEREUQCSA-N 309.370 -0.428 30 20 DBED C[C@H](N[C@@H]1CCCN(C(=O)C#CC2CC2)C1)C(=O)NC(N)=O 1208008752 LAFUFGMNGRTAOF-CMPLNLGQSA-N 306.366 -0.436 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)[C@H](C)NC(=O)CC)C1 1208120612 ICHIMUCDNBKECB-STQMWFEESA-N 322.409 -0.769 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(C)C2)C1 1208265027 QZYAHPXXQMVJGB-STQMWFEESA-N 322.409 -0.653 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)c2cncn2C)C1 1208504294 IJLSMIUKGBHZAD-CHWSQXEVSA-N 317.393 -0.248 30 20 DBED C=C(C)CCN[C@H]1CCCN(C(=O)C[C@H](NC(C)=O)C(N)=O)C1 1209974464 XKHFKLHPYHDQAJ-KBPBESRZSA-N 324.425 -0.087 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(CC(=O)NCC)C[C@H]1OC 1212194842 YOBWXCVHZNGVAD-LALPHHSUSA-N 313.398 -0.735 30 20 DBED COCC#CCN1C[C@@H](NC(=O)c2c[nH]nc2C)[C@H](OC)C1 1213243944 RRIFSKVCCFTAKL-ZIAGYGMSSA-N 306.366 -0.203 30 20 DBED COCC#CCN1C[C@@H](NC(=O)c2ccn(C)n2)[C@H](OC)C1 1213857171 GYNZHLYWTSQYPN-ZIAGYGMSSA-N 306.366 -0.501 30 20 DBED C#CCCCC(=O)N[C@@H]1CN([C@H]2CCN(CC=C)C2=O)C[C@@H]1O 1219539425 KMKRTHWFZUEGFQ-ILXRZTDVSA-N 319.405 -0.262 30 20 DBED C=C(C)CCC(=O)N[C@@H]1CN([C@@H](C)c2nnnn2C)C[C@@H]1O 1219718851 RQQNPXBNRHUVRH-TUAOUCFPSA-N 308.386 -0.211 30 20 DBED CCNC(=O)NC(=O)CN1CC[C@@H]2CN(C(=O)[C@@H](C)C#N)[C@@H]2C1 1221446912 YRIZPIZKGRGJLN-QJPTWQEYSA-N 321.381 -0.476 30 20 DBED C#CCCCC(=O)N1CC[C@H]2CCN(CC(=O)NC(N)=O)[C@H]2C1 1222613823 MIHZISDJBUPWTI-OLZOCXBDSA-N 320.393 -0.092 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC(NC(=O)CN(C)C(C)=O)CC1 1226160996 BVINMZBFJBYDSZ-GFCCVEGCSA-N 322.409 -0.817 30 20 DBED CN(C[C@@H]1CCN1[C@@H]1CCC(=O)NC1=O)C(=O)CSCC#N 1230814347 BSLXXNXCODUCDV-WDEREUQCSA-N 324.406 -0.419 30 20 DBED CO[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)C12CCC2 1261473976 VIPCZVJBVHBTOD-ZOWXZIJZSA-N 321.377 -0.063 30 20 DBED C[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccn(CCC#N)n1 1321646062 VOVDNUKGQSQVGI-SECBINFHSA-N 304.310 -0.918 30 20 DBED C#C[C@H](NC(=O)C(=O)NCCCC(=O)NC1CC1)[C@H]1CCCO1 1322264512 NBBXAGNKBIQVKK-QWHCGFSZSA-N 321.377 -0.542 30 20 DBED Cc1nnc(CNC(=O)C(=O)NCc2ccc(C#N)cc2)n1C 1322560495 AUDXVJINVBKJII-UHFFFAOYSA-N 312.333 -0.072 30 20 DBED CCn1nc(C(=O)OCC(=O)NC2(C#N)CCC2)ccc1=O 1322646470 VEOUSMOKLSFPSQ-UHFFFAOYSA-N 304.306 -0.018 30 20 DBED C=C(C)COCCNC(=O)C(=O)N1C[C@@H](COC)O[C@H](C)C1 1323604291 URLUUNMVZZOPBS-OLZOCXBDSA-N 314.382 -0.042 30 20 DBED C[C@H](NC(=O)C(=O)N1CCC[C@@](C)(C#N)C1)[C@@H]1CN(C)CCO1 1324279560 CPQFUFFXJCOJAR-XEZPLFJOSA-N 322.409 -0.026 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)N[C@@H]2CCCc3c[nH]nc32)CCO1 1324667200 UKTVZAYKIHQZDT-WDEREUQCSA-N 303.322 -0.346 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N[C@H](C)[C@@H]2CCOC2)nn1 1328097180 IDUVEJNSWZCLRC-GHMZBOCLSA-N 307.354 -0.379 30 20 DBED C#CCOCCNC(=O)C(=O)NCc1ccc(C)n(C)c1=O 1329098809 KJDUSRBIXRBSFI-UHFFFAOYSA-N 305.334 -0.924 30 20 DBED N#Cc1ccc(CCNC(=O)C(=O)N2CCNC(=O)C2)cc1 1330335772 UEIRUSKTODCOKY-UHFFFAOYSA-N 300.318 -0.825 30 20 DBED C=CCC1(O)CCN(C(=O)C(=O)N[C@@H]2CC(=O)N(C)C2)CC1 1332109386 NEYJVEDPMOHMSV-LLVKDONJSA-N 309.366 -0.737 30 20 DBED C=CCn1c([C@H](O)COC)nnc1N1CCN(C)C(=O)[C@H]1C 1342472187 OMVLKSIKZKXDNJ-GHMZBOCLSA-N 309.370 -0.189 30 20 DBED C=CCN(C(=O)C(=O)N1CCN2C(=O)NC[C@H]2C1)[C@H](C)COC 1350278747 HNPZRBCSXVPWHT-NEPJUHHUSA-N 324.381 -0.728 30 20 DBED CCOC(=O)CN(CC)C(=O)Cn1cc(C#N)c(O)nc1=O 1362041223 QZYCLJUACOWUHJ-UHFFFAOYSA-N 308.294 -0.768 30 20 DBED C[C@@H](CN(C)C(=O)c1cc(C#N)c[nH]1)NC(=O)[C@@H]1COC(=O)N1 1370471790 FIOOMONIWAFNBQ-KWQFWETISA-N 319.321 -0.429 30 20 DBED COC(=O)NCC(=O)N(C)[C@H](CNC(=O)[C@H](C)C#N)C1CC1 1383600779 RWCRQQBCRRQHKG-MWLCHTKSSA-N 310.354 -0.145 30 20 DBED CNC(=O)CCCC(=O)NCCN(C)C(=O)c1cc(C#N)c[nH]1 1386849678 IUOMVLNFYHWLPL-UHFFFAOYSA-N 319.365 -0.009 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)Cn2ccccc2=O)CC1 1393632959 OONASCUNLFFUHP-NSHDSACASA-N 302.334 -0.227 30 20 DBED C[C@@H](O)CN(Cc1cc(O)n2ncc(C#N)c2n1)[C@H](C)CO 1412978291 JCDGPZGMMOXXTN-NXEZZACHSA-N 305.338 -0.130 30 20 DBED C=C(Cl)CN1CC(CNC(=O)CN2CCNC(=O)C2)C1 1419029157 ONGKCLAKVHYLCG-UHFFFAOYSA-N 300.790 -0.781 30 20 DBED Cc1ccnc2nc(C(=O)N(C)CCNC(=O)[C@@H](C)C#N)nn12 1429451118 HABJVJRIRDSBTF-VIFPVBQESA-N 315.337 -0.219 30 20 DBED C[C@@H](CNC(=O)CCCS(C)(=O)=O)CNC(=O)[C@H](C)C#N 1432984950 YDGPAILIULVWKV-WDEREUQCSA-N 317.411 -0.161 30 20 DBED COCC(=O)N(C)CC(=O)N(C)CCN(C)C(=O)[C@H](C)C#N 1433179760 HTYAEYIEDACFAP-LLVKDONJSA-N 312.370 -0.832 30 20 DBED CC(=O)N[C@@H](C)C(=O)NCC1(NC(=O)c2ccc(C#N)[nH]2)CC1 1433832624 YDKAYPOMYZBCNO-VIFPVBQESA-N 317.349 -0.210 30 20 DBED C[C@@H](C#N)CN(C(=O)Cn1cc(C#N)c(O)nc1=O)C1CC1 1433870169 PLOKNEAXVKQWEE-VIFPVBQESA-N 301.306 -0.029 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H]1CNC(=O)CN1CCCNC1=O 1449627720 YLQAKMCAHPPENI-NEPJUHHUSA-N 321.381 -0.331 30 20 DBED N#CCC1(CS(=O)(=O)NCc2nnc3c(=O)[nH]ccn23)CC1 1464561037 MTRHXRDCNYOGET-UHFFFAOYSA-N 322.350 -0.469 30 20 DBED C[C@@H](NC(=O)CCn1cc(C#N)c(O)nc1=O)C1(CO)CC1 1470004598 ARENTEVJFWBGHZ-SECBINFHSA-N 306.322 -0.512 30 20 DBED C[C@H](C#N)C(=O)NCCN1CCN(C(=O)C[C@@H]2CCCO2)CC1 1493184641 NDXPDCOBXADJDP-KGLIPLIRSA-N 322.409 -0.024 30 20 DBED CCC(=O)NCC(=O)NC[C@@H](C)NC(=O)c1cc(C#N)c[nH]1 1494645198 HYOHLYGNQONYPB-SECBINFHSA-N 305.338 -0.353 30 20 DBED C[C@H](C#N)C(=O)N(C)CCN(C)CCN1CCCS1(=O)=O 1496679340 KEBKDKURNPMZRW-GFCCVEGCSA-N 316.427 -0.428 30 20 DBED C=CCNC(=O)CN1CCC[C@H](NC(=O)c2cnn(C)n2)C1 1567778174 UFZQUPZXBRYBPL-NSHDSACASA-N 306.370 -0.689 30 20 DBED N#Cc1ccc(CNC(=O)NCCOCCOCC(=O)O)nc1 1574488129 LAZNMVMCPHPZCK-UHFFFAOYSA-N 322.321 -0.130 30 20 DBED CCOC(=O)[C@@H](CO)NC(=O)[C@H]1NCCc2cc(C#N)ccc21 1577914108 NFXNJRVGZQGCEB-KGLIPLIRSA-N 317.345 -0.215 30 20 DBED C#CC1CCN(C(=O)[C@H](C)n2cnc(-c3nn[nH]n3)n2)CC1 1588330502 FMISTAKECBGHBA-VIFPVBQESA-N 300.326 -0.109 30 20 DBED C#CCN(CC(=O)O)c1nnc(-c2ccn(C)c(=O)c2)n1C 1588426688 YAZPFDZVEDKFFN-UHFFFAOYSA-N 301.306 -0.295 30 20 DBED C=C(CCC(=O)O)C(=O)N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1588615367 RPSRGLHFSMUPQL-JTQLQIEISA-N 309.322 -0.098 30 20 DBED C[C@@H](C(=O)NCC1(C#N)CCC1)n1cnc(-c2nn[nH]n2)n1 1588979447 VVNKUYIWLUDOGO-QMMMGPOBSA-N 301.314 -0.171 30 20 DBED COC[C@H]1C[C@@H](O)CN1c1cnc(C#N)c(-c2nn[nH]n2)n1 1591453005 GIOWJIDCVSEMHK-HTQZYQBOSA-N 302.298 -0.886 30 20 DBED Cc1cc(C(=O)N2CCN(CC#N)CC2)ncc1-c1nn[nH]n1 1591915242 ACZBMXYWDCWGJX-UHFFFAOYSA-N 312.337 -0.149 30 20 DBED N#CCNC(=O)CNC(=O)c1cccc(F)c1-c1nn[nH]n1 1592677401 DLEHEUYTZCMBCJ-UHFFFAOYSA-N 303.257 -0.625 30 20 DBED O=S(=O)(CCNCC#CCO)c1ccc(-c2nn[nH]n2)cc1 1593422639 URPKVSZFISNQBY-UHFFFAOYSA-N 321.362 -0.774 30 20 DBED CCN(CCNC(=O)[C@H]1C[C@@H]1C(=O)O)C(=O)CSCC#N 1596333138 NIEUJJDTJDJZBN-UWVGGRQHSA-N 313.379 -0.071 30 20 DBED COC(=O)[C@H]1CN(S(=O)(=O)CCCCC#N)C[C@H]1C(=O)O 1598825462 KPMDARLFZXWWOC-ZJUUUORDSA-N 318.351 -0.184 30 20 DBED N#Cc1ccc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)O)nc1 1601091864 CFGCLMCHRRQUMP-JTQLQIEISA-N 309.303 -0.723 30 20 DBED N#Cc1nc(N2CCSC[C@H]2CO)cnc1-c1nn[nH]n1 1606390198 ZENYERSOKNWXIG-SSDOTTSWSA-N 304.339 -0.558 30 20 DBED C[C@@H]1CN(S(=O)(=O)N2CCO[C@H](C#N)C2)C[C@H]1CC(=O)O 1607438811 VXEGJYLDBYJXGV-GMTAPVOTSA-N 317.367 -0.502 30 20 DBED Cn1cc(-c2nn[nH]n2)cc1C(=O)NCCn1cnc(C#N)n1 1609477891 RQPMVFOIWWDHML-UHFFFAOYSA-N 312.297 -0.902 30 20 DBED CN(C)S(=O)(=O)N(CC#N)Cc1noc(CCC(=O)O)n1 1610102362 LAXWLJUWEHYIBS-UHFFFAOYSA-N 317.327 -0.781 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)c2ccnc(C)n2)C1 1662577876 DGYWMYATMCNCLM-YPMHNXCESA-N 315.377 -0.273 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCC[C@H](C)NCc1cnnn1C 1700324907 OKNLINFRBVLCLG-ZFWWWQNUSA-N 318.425 -0.103 30 20 DBED C#CCOCCC(=O)N1[C@H]2CC[C@H]1CN(CCOCCO)C2 1752533957 BSIYDGCLEJCXKU-GJZGRUSLSA-N 310.394 -0.290 30 20 DBED C[C@H](CNC(=O)[C@H]1CCc2cncn2C1)NCC(=O)NCC#N 1752882594 YPGUJZFYXBNLHS-NEPJUHHUSA-N 318.381 -0.820 30 20 DBED C=CCNC(=O)CN(C)CCNC(=O)c1ccc2nnnn2c1 1753056831 CFFFGXFYHUARAB-UHFFFAOYSA-N 317.353 -0.912 30 20 DBED C[C@@H](C(=O)NC(N)=O)N1[C@H]2CC[C@H]1CN(C(=O)C#CC1CC1)C2 1753305911 VTCXLYZJBHFWKH-DRZSPHRISA-N 318.377 -0.342 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](CN(C)CCN2C(=O)CNC2=O)C1 1753345227 GMFSHTNOKIKDQS-RYUDHWBXSA-N 321.381 -0.522 30 20 DBED C#CCNC(=O)CN1CC(NC(=O)CCNC(=O)C(C)(C)C)C1 1753383840 MEOGAPNVFHJHGL-UHFFFAOYSA-N 322.409 -0.911 30 20 DBED C#CCNC(=O)CN1CC(NC(=O)[C@@H](CC)N(CC)CC)C1 1753386738 KMQBVGFOGVLSQB-CQSZACIVSA-N 308.426 -0.343 30 20 DBED CC#CCN[C@H]1CC[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 1753584755 IAMSEJWVPQWJTP-SRVKXCTJSA-N 306.366 -0.375 30 20 DBED COCC#CCNC[C@H](O)CNC(=O)c1cnn2c1CCCC2 1753934130 SPCFZIABTGZMQO-ZDUSSCGKSA-N 320.393 -0.451 30 20 DBED COCC#CCNC[C@@]1(C)CCN(C(=O)C(C)(C)C(N)=O)C1 1754699012 XNMUYARITUVQLG-MRXNPFEDSA-N 309.410 -0.024 30 20 DBED C#CCNC(=O)CN1C[C@H]2CN(C(=O)c3cnns3)C[C@H]2C1 1754840537 DQHHYIOHDYWBIT-PHIMTYICSA-N 319.390 -0.709 30 20 DBED C=C(C)CNCC1(NC(=O)[C@H]2CN(C)C(=O)N2)CCOCC1 1755097757 UOAFAVLGUNNWKA-GFCCVEGCSA-N 310.398 -0.159 30 20 DBED COCC#CCNCC1CC(NC(=O)[C@@H]2CN(C)C(=O)N2)C1 1755214941 AOAZMEHVVPSIJL-BPCQOVAHSA-N 308.382 -0.856 30 20 DBED N#CCNCC1(NC(=O)C[C@@H]2NC(=O)NC2=O)CCCCC1 1755353019 VUIPRAAUMUODDN-JTQLQIEISA-N 307.354 -0.483 30 20 DBED CC#CCNC[C@H]1CC[C@@H](NC(=O)C2CC(=O)NC(=O)C2)C1 1755742173 QHNQFEVVRLQUKY-WCQYABFASA-N 305.378 -0.063 30 20 DBED C#CCN(C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCCCN(C)C1=O 1755806398 DRYMUNJVVOEEMH-ZIAGYGMSSA-N 309.410 -0.371 30 20 DBED C#CCCCC(=O)N(C)[C@H](CNC(=O)Cn1cnnn1)C1CC1 1756408502 ANHDNLCRARBXAQ-CYBMUJFWSA-N 318.381 -0.170 30 20 DBED CC#CCCCC(=O)NC[C@H](CO)NC(=O)c1cccnn1 1756543382 OZLJLTLJWTUHKU-GFCCVEGCSA-N 304.350 -0.123 30 20 DBED C=CCOCC(=O)N1CC[C@H](NC(=O)Cn2cnnn2)[C@H]1CC 1757431556 IURZGLQFZPEWQN-NWDGAFQWSA-N 322.369 -0.629 30 20 DBED CCN(CCC#N)S(=O)(=O)N1C[C@H]2COC[C@@]2(C(=O)O)C1 1776863601 BEKIZCNETKZDQU-JQWIXIFHSA-N 317.367 -0.500 30 20 DBED CN(C1CCOCC1)S(=O)(=O)N[C@H](CCC#N)C(=O)O 1777046243 YGCBAPPCUMYVKP-SNVBAGLBSA-N 305.356 -0.311 30 20 DBED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)n3cccn3)C2)C1 1784527438 XYIIQTCUMLTVQK-CJNGLKHVSA-N 316.361 -0.093 30 20 DBED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)CN)C2 1802020148 RVAUZAGENUUWAO-GUIRCDHDSA-N 307.394 -0.416 30 20 DBED CS(=O)(=O)CC(=O)N1CCCC12CN(C(=O)C#CC1CC1)C2 1842777913 OTTNWYDRKLNEGP-UHFFFAOYSA-N 324.402 -0.352 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)CNC(=N)N)C1 1842882442 LNMNFQJZTROXMH-NSHDSACASA-N 323.397 -0.736 30 20 DBED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(O)O 1847447569 WFGIBJYUYMYWAO-GARJFASQSA-N 312.366 -0.928 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1nc[nH]n1 1847803434 YOIAADZVECCMSJ-SRVKXCTJSA-N 317.349 -0.342 30 20 DBED C=CCNC(=O)NC(=O)CN1Cc2ccccc2C[C@H]1C(N)=O 15027545 TYQXGBHOFNYTKD-ZDUSSCGKSA-N 316.361 -0.090 30 20 DBED CCNC(=O)CN1CCN(S(=O)(=O)CC2(C#N)CC2)CC1 164486877 HVMWEHZAYKXCGI-UHFFFAOYSA-N 314.411 -0.626 30 20 DBED N#Cc1ccc(S(=O)(=O)NCCN2CCCOCC2)cn1 189102156 IEWRAWDRDOTKHM-UHFFFAOYSA-N 310.379 -0.046 30 20 DBED COC[C@@H]1CN(c2c(C#N)c(=O)n(C)c(=O)n2C)C[C@@H](C)O1 275795754 CRDBQVMCMQZESH-ZJUUUORDSA-N 308.338 -0.804 30 20 DBED CN(C)S(=O)(=O)N(CC#N)CC(=O)NCC(F)(F)F 283661775 ZEWOUFMYHZGDLI-UHFFFAOYSA-N 302.278 -0.703 30 20 DBED COc1cncc(S(=O)(=O)NCCn2cnc(C#N)n2)c1 285217252 AGEGTLBIICIFGA-UHFFFAOYSA-N 308.323 -0.468 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 295756237 HMCCMNFGVGZSOY-KBPBESRZSA-N 323.393 -0.926 30 20 DBED C[C@@H](C/N=C(/O)N1CCS(=O)(=O)CC1)N1CCOCC1 328810565 DXOGQZIHLQQFRM-NSHDSACASA-N 305.400 -0.649 30 20 DBED OCCN(CCN1CCOCC1)C(O)=Nc1cnns1 330273255 YXGCAONMNWMCMR-UHFFFAOYSA-N 301.372 -0.290 30 20 DBED C/N=C(/O)NC(=O)[C@H](C)N1CCO[C@@H](CN(C)CC(=N)O)C1 330392723 BHKGPZDXEFVHHU-UWVGGRQHSA-N 315.374 -0.797 30 20 DBED CC(C)NC(=O)CC/N=C(/O)N1CC[C@@H](S(C)(=O)=O)C1 330404939 HMDNQXHGRIHFDY-SNVBAGLBSA-N 305.400 -0.066 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N1CCC(N(C)CCO)CC1 330422610 QOARYRXKVLQNKF-GFCCVEGCSA-N 318.443 -0.146 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@@H](CO)CC(F)F 337170350 FCXLKAYVZCQYLK-SECBINFHSA-N 315.342 -0.301 30 20 DBED C=CCN1CC[C@@H](N(CCOC)[C@H]2CCS(=O)(=O)C2)C1=O 337191259 TUUQYFPGGAOQPJ-QWHCGFSZSA-N 316.423 -0.091 30 20 DBED CNS(=O)(=O)c1cc(C(=O)N[C@@](C)(C#N)COC)co1 339436301 ANPPMAVQLGLELL-NSHDSACASA-N 301.324 -0.154 30 20 DBED N#CCNC(=O)CNC(=O)NCCC(=O)NC1CCCCC1 344380062 OQJYJCPLWFYNNZ-UHFFFAOYSA-N 309.370 -0.236 30 20 DBED N#CCNC(=O)CNC(=O)NCCN1C(=O)Cc2ccccc21 344619029 JEZHIWNGNMIYAL-UHFFFAOYSA-N 315.333 -0.485 30 20 DBED N#Cc1ccc(S(=O)(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)o1 344674072 XSRRYUGCGAYKNN-QMMMGPOBSA-N 310.291 -0.924 30 20 DBED N#Cc1ncn(CCNC(=O)c2cncc(-n3ccnn3)c2)n1 356321781 NLGZOZVVQYJVAO-UHFFFAOYSA-N 309.293 -0.445 30 20 DBED N#CC1(CS(=O)(=O)N2CCC[C@H](S(N)(=O)=O)C2)CC1 361809654 RFPYIFINSFXRLP-VIFPVBQESA-N 307.397 -0.627 30 20 DBED C=C[C@H](C)NC(=O)CCS(=O)(=O)NCC(=O)NC(C)C 362614425 ONBUARCPUJTQTC-JTQLQIEISA-N 305.400 -0.489 30 20 DBED C=C[C@H](C)NC(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 362687369 BMZFETWIDQDLRH-NSHDSACASA-N 307.354 0.438 30 20 DBED C#CCNC(=O)N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 370140881 DAPGBUMRPALDJY-LBPRGKRZSA-N 317.411 -0.298 30 20 DBED CCN(C[C@@H](C)C#N)C(=O)CN1CC[C@@H](S(=O)(=O)NC)C1 372155705 GVSPGGMDXNDQOF-NWDGAFQWSA-N 316.427 -0.382 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CCOC(C)(C)C2)C1=O 410882597 JCDWZGWOMBZGKR-LBPRGKRZSA-N 323.393 -0.131 30 20 DBED C=CCN1CCC(NC(=O)C(=O)N2C[C@H](C)NC[C@@H]2C)CC1 419702822 CBPFTQDMJTZIHH-STQMWFEESA-N 308.426 -0.038 30 20 DBED C=CCn1cc(CNC(=O)NCC(=O)NCC(F)(F)F)nn1 425416305 LHHFEYDVLCTMOE-UHFFFAOYSA-N 320.275 -0.058 30 20 DBED CN1CC[C@H](CNc2c(C#N)c(=O)n(C)c(=O)n2C)CC1=O 515377390 WCGDPZNALDPECY-VIFPVBQESA-N 305.338 -0.764 30 20 DBED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC(N)CC2)cc1 567353069 YTJAETGVNCQJEY-UHFFFAOYSA-N 322.390 -0.214 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)NC[C@@H](CC(=O)O)C(=O)O 568096170 RKYIIWDBGTYYEP-JGVFFNPUSA-N 307.328 -0.912 30 20 DBED CC(C)(CO)NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 569343708 MWJIQPBJJKJDHP-UHFFFAOYSA-N 311.363 -0.276 30 20 DBED CN(C)[C@H]1CCCN(C(=O)C(=O)NC2CCN(CC#N)CC2)C1 588125773 LFDGXRMBUOGRLW-AWEZNQCLSA-N 321.425 -0.357 30 20 DBED N#CCCn1ccc(NC(=O)Cn2nc3n(c2=O)CCCC3)n1 593064546 PNHRIRLXBCORJV-UHFFFAOYSA-N 315.337 0.130 30 20 DBED N#Cc1sccc1S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)O 593254408 DEORKNKUBHGMAS-LURJTMIESA-N 317.348 -0.383 30 20 DBED CCN1C[C@H](CNC(=O)CNc2ccc(C#N)cn2)CC1=O 593825727 JOZAEIXYGZXKLZ-LBPRGKRZSA-N 301.350 0.350 30 20 DBED N#Cc1ccc(CNC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)cc1F 597753339 ACBROUPEOVKDBY-MGPQQGTHSA-N 306.293 -0.274 30 20 DBED COC(=O)[C@@](C)(CO)NC[C@@H](O)COc1ccccc1C#N 599438849 YXYOHGFYFZXQRE-IUODEOHRSA-N 308.334 -0.188 30 20 DBED N#CCCN1CCN(C(=O)CN2CCCS2(=O)=O)CC1 602209959 KFEHXPQDXZFSFK-UHFFFAOYSA-N 300.384 -0.920 30 20 DBED CN(CCCN[C@H](C(N)=O)c1ccc(C#N)cc1)S(C)(=O)=O 609675839 RDIFELNNNMIHSC-ZDUSSCGKSA-N 324.406 -0.044 30 20 DBED CCS(=O)(=O)NCCS(=O)(=O)N1CCC[C@@](C)(C#N)C1 612154659 BUGUJYNOLXINEI-NSHDSACASA-N 323.440 -0.119 30 20 DBED COC(=O)c1[nH]c(C)cc1NC(=O)C(=O)N1CCO[C@@H](C#N)C1 612718308 SORLTIDRPRKFQU-VIFPVBQESA-N 320.305 -0.201 30 20 DBED C=CCN1CC[C@@H](n2cc(CCN3CCNCC3)nn2)C1=O 641109739 UMYJUGHPFQAKOP-CQSZACIVSA-N 304.398 -0.315 30 20 DBED CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)NO)cc1 742824111 ORKRVOLKGBNTPK-UHFFFAOYSA-N 302.308 -0.353 30 20 DBED C#CCOCCNC(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1 753232772 RYCJUPKTVUNMEB-GFCCVEGCSA-N 309.347 -0.518 30 20 DBED N#Cc1c(N2CCN3C(=O)NC[C@@H]3C2)cccc1S(N)(=O)=O 755000921 CQYGKNPMIUOJNQ-SECBINFHSA-N 321.362 -0.581 30 20 DBED C#CCOCCC(=O)OCC(=O)N1CCC[C@@H](NC(C)=O)C1 756304438 AHDAJYWUPNAIAN-CYBMUJFWSA-N 310.350 -0.303 30 20 DBED C#CCNS(=O)(=O)N1CCN(CCN2CCCC2)CC1 761035679 BWUZTFYRWXWERO-UHFFFAOYSA-N 300.428 -0.833 30 20 DBED COC(=O)N[C@@H](C)C(=O)OCC(=O)N(CCC#N)CCC#N 761530504 SKIINNIWUAKQIB-JTQLQIEISA-N 310.310 -0.070 30 20 DBED CN(Cn1cccc(C#N)c1=O)[C@H]1CCN(S(C)(=O)=O)C1 793566838 JWNMRTWQQLKARG-LBPRGKRZSA-N 310.379 -0.357 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N(CCS(C)(=O)=O)C1CC1 800089937 DYKPTTFDZYBRLK-SNVBAGLBSA-N 323.440 -0.168 30 20 DBED C#C[C@H](NS(=O)(=O)N(CCC#N)CCOC)[C@@H]1CCCO1 800114045 XQWGHIQMKPPFAJ-STQMWFEESA-N 315.395 -0.136 30 20 DBED CS(=O)(=O)NC(=O)CCNC(=O)c1cccc(F)c1C#N 800551521 IQTRADPICKEKPB-UHFFFAOYSA-N 313.310 -0.107 30 20 DBED COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)C=NOC)C1 809797610 NFCWOQGPCIIOHV-NSHDSACASA-N 321.399 -0.482 30 20 DBED C#CCCS(=O)(=O)NC(=O)CN1C(=O)COc2ccccc21 810779773 AIAGOHCXKGHMPS-UHFFFAOYSA-N 322.342 -0.119 30 20 DBED C=C[C@H](O)C(=O)NC[C@@H](NC(=O)[C@@H](O)C=C)c1ccc(C)o1 831244011 VADROAVMKYUNRE-WOPDTQHZSA-N 308.334 -0.045 30 20 DBED C#CCOCCNC(=O)NC[C@H](N1CCNCC1)C(F)(F)F 841874902 KMXAZFPKGYHMHD-NSHDSACASA-N 322.331 -0.229 30 20 DBED C=CCn1cc(C(=O)NS(=O)(=O)[C@@H]2CCCOC2)nn1 842754174 KCHLPISICOOBNZ-SECBINFHSA-N 300.340 -0.297 30 20 DBED N#C[C@H]1CNC[C@H]1NC(=O)C(=O)NCCCc1ccccc1 843463027 UIJXETPBLAINCF-UONOGXRCSA-N 300.362 -0.037 30 20 DBED C#CC[C@@H](CO)NC(=O)c1ccc(C(=O)N[C@@H](CO)CC#C)o1 854545143 BFBCRAXVDZIAID-TXEJJXNPSA-N 318.329 -0.492 30 20 DBED C#Cc1cccc(CNC(=O)C(=O)NC[C@H]2COCCN2)c1 861733670 YUQHLZJNNVWKGT-AWEZNQCLSA-N 301.346 -0.611 30 20 DBED C#C[C@@H](NC(=O)C(=O)NCc1cnnn1CC)[C@H]1CCCO1 875324606 MDSJCLYGAOFWIM-VXGBXAGGSA-N 305.338 -0.789 30 20 DBED O=C(Cn1ccccc1=O)N[C@@H]1CCN(C(=O)C#CC2CC2)C1 940375599 CURDXGARYPNUOM-CQSZACIVSA-N 313.357 -0.021 30 20 DBED C=CCN1CC[C@H](NC(=O)Cn2nc(C)n(C)c2=O)[C@H](C)C1 944490948 IPCBNZKHHPXDGQ-YPMHNXCESA-N 307.398 -0.097 30 20 DBED CN1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)C#CC2CC2)CCO1 944512985 ITMANPUWQBIXLV-CABCVRRESA-N 319.405 -0.162 30 20 DBED Cc1cc(C(=O)NC[C@H]2CN(C(=O)[C@@H](C)C#N)CCO2)cnn1 944567137 MUQGHDZPACVWSN-GWCFXTLKSA-N 317.349 -0.098 30 20 DBED C[C@@H]1C[C@@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)CCN1CC#N 947895728 QXPPZERDDGRMOC-MNOVXSKESA-N 321.381 -0.191 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H]2CNC(=O)c2cn[nH]c2)nn1 948925597 MHGXKACSPMLONK-NSHDSACASA-N 315.337 -0.168 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CNC(=O)c2c[nH]c(=O)cn2)CC1 949394285 PAKSKRJCLJJNKE-SNVBAGLBSA-N 317.349 -0.102 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)[C@@H](C)OC 950752788 DLWXTIXEQHOGRL-RDBSUJKOSA-N 307.394 -0.164 30 20 DBED C[C@H](C#N)C(=O)N1CC(N(C)C(=O)c2cc(=O)n(C)cn2)C1 954631805 DOSHIOSDQHAMMC-SECBINFHSA-N 303.322 -0.777 30 20 DBED CN(C(=O)c1cnn(C)n1)C1CN(C(=O)c2cc(C#N)c[nH]2)C1 954776665 HKEBDYWBANYZDC-UHFFFAOYSA-N 313.321 -0.389 30 20 DBED Cc1nn[nH]c1C(=O)N(C)C1CN(C(=O)c2cc(C#N)c[nH]2)C1 954944613 FYMCARGBERECHL-UHFFFAOYSA-N 313.321 -0.091 30 20 DBED C=CCN1C[C@@H](O)[C@@H](CNC(=O)c2cnn3c(=O)cc[nH]c23)C1 958467229 GTUWWKLUHSNIDO-CMPLNLGQSA-N 317.349 -0.769 30 20 DBED Cn1cc(CN2C[C@H]3C(NC(=O)c4c[nH]c(C#N)c4)[C@@H]3C2)nn1 958618794 WIWHIQZULIKDBG-CHWSQXEVSA-N 311.349 -0.125 30 20 DBED C#CCCN1C[C@@H]2C(NC(=O)Cc3c(C)nc(O)nc3O)[C@H]2C1 962127963 HKAZIHJINZUOOZ-RYUDHWBXSA-N 316.361 -0.192 30 20 DBED COc1ncnc(OC)c1C(=O)N[C@H]1[C@@H]2CN(CC#N)C[C@@H]21 963072955 VDOVBLDMXWLIQA-JZYVYDRUSA-N 303.322 -0.323 30 20 DBED CN(CC#N)[C@@H]1CCN(C(=O)Cn2nnc(-c3ccco3)n2)C1 971842928 DPVMBSUDQHAKHR-LLVKDONJSA-N 315.337 -0.011 30 20 DBED C#CCN(C)[C@@H]1CCN(C(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 971994579 AXRIHXFRMPYINK-YPMHNXCESA-N 301.350 -0.469 30 20 DBED C=CCN1CCO[C@]2(CCN(C(=O)CN3CCCNC3=O)C2)C1 972449410 KCSZYYFUFCEGPU-MRXNPFEDSA-N 322.409 -0.109 30 20 DBED C=CCN(C)[C@H]1CCN(C(=O)C2(n3cnnn3)CCOCC2)C1 972521454 RINIGBPSILWYOS-ZDUSSCGKSA-N 320.397 -0.103 30 20 DBED CNC(=O)[C@H](C)N1C[C@H]2C(CNC(=O)c3cc(C#N)c[nH]3)[C@@H]2C1 977974524 ITSUDURWSVYCSF-XDTLVQLUSA-N 315.377 -0.072 30 20 DBED C#CCCN1C[C@@H]2C(CNC(=O)[C@H]3COCCN3C(C)=O)[C@H]2C1 979087697 GRTVDZKZKFYCNZ-BZUAXINKSA-N 319.405 -0.449 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(NC(=O)c2ncn(C)n2)C1 991184518 XTBABEVMBYGEIZ-RYUDHWBXSA-N 319.365 -0.263 30 20 DBED C=C1CC(C)(C(=O)N2CC(NC(=O)CN3C(=O)CCC3=O)C2)C1 991330488 FVAFVXSBHKNXCI-UHFFFAOYSA-N 319.361 -0.181 30 20 DBED Cc1nc(O)[nH]c1C(=O)NC1CN(C(=O)c2ccc(C#N)[nH]2)C1 994053233 LJWFKFNSYFHMLD-UHFFFAOYSA-N 314.305 -0.122 30 20 DBED Cc1nn(C)c(=O)c(C(=O)NC2CN(C(=O)[C@@H](C)C#N)C2)c1C 997312684 VNYBFQNOWVHFAS-QMMMGPOBSA-N 317.349 -0.503 30 20 DBED N#Cc1c[nH]c(C(=O)N2CCC[C@H](N[C@@H]3CCNC3=O)C2)c1 998850054 RNBSEVYINVOTRQ-NWDGAFQWSA-N 301.350 -0.031 30 20 DBED COCCn1nc(C(=O)N2CCC[C@@H](NCC#N)C2)ccc1=O 999651885 UUTSIYNNAWRRJZ-GFCCVEGCSA-N 319.365 -0.393 30 20 DBED C=CCN1CC[C@H](n2cc(CNC(=O)[C@@H]3COCCO3)nn2)C1 999957227 UOIFPLJRYYTUBO-KBPBESRZSA-N 321.381 -0.258 30 20 DBED C=CCCN1CCC(NC(=O)CN2CCN(C)C(=O)C2)CC1 1003205232 ZRHCCTHYBWVIAL-UHFFFAOYSA-N 308.426 -0.083 30 20 DBED C[C@@H](NC(=O)[C@@H]1CN(C)C(=O)N1)C1CN(C(=O)C#CC2CC2)C1 1006569900 MWYVPMBVQQBCPN-MFKMUULPSA-N 318.377 -0.614 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@]2(CN(C(=O)c3cnon3)CCO2)C1 1007714090 VFKQNVQDXDJAIG-YGRLFVJLSA-N 319.321 -0.327 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2CCN(CCN3CCNC3=O)C2)[nH]1 1010660163 YQLSCHLFKZAEQY-LBPRGKRZSA-N 316.365 -0.284 30 20 DBED N#Cc1cc(C(=O)N2CCN(C(=O)[C@H]3CCC(=O)N3)CC2)c[nH]1 1010696193 AWJVOLABQXSKJX-GFCCVEGCSA-N 315.333 -0.551 30 20 DBED C#Cc1ccc(C(=O)NC2[C@H]3CN(C(=O)CC(N)=O)C[C@H]23)cn1 1013512878 HFXHOVWCKOCIJA-RYUDHWBXSA-N 312.329 -0.875 30 20 DBED N#Cc1ccccc1CN1CC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1 1015634337 LPFDLOKBCGVIOK-KGLIPLIRSA-N 313.361 -0.070 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)C1 1015786056 GOESCXUBFRVSLC-JTQLQIEISA-N 308.338 -0.826 30 20 DBED C=CCCn1cc(C(=O)N[C@@H]2CCN([C@H](C)C(N)=O)C2)nn1 1015821030 PVNSQDNXIZCFRZ-GHMZBOCLSA-N 306.370 -0.468 30 20 DBED N#Cc1ccc(C(=O)N2CCC3(CN(C(=O)C(N)=O)C3)C2)[nH]1 1019354016 KLDPACWILYWSTO-UHFFFAOYSA-N 301.306 -0.954 30 20 DBED C[C@@H](C#N)C(=O)N1CCCO[C@H](CNC(=O)c2ccnnc2)C1 1019684965 OZXNDHAITQLADI-WCQYABFASA-N 317.349 -0.016 30 20 DBED C=CCN1CC[C@H](N[C@H]2C[C@H](NC(=O)c3[nH]nnc3C)C2)C1=O 1020457161 IVASFUXOPQYVCU-SRVKXCTJSA-N 318.381 -0.250 30 20 DBED N#CCOc1ccc(CN[C@H]2C[C@H](NC(=O)C(N)=O)C2)cc1 1020533145 IJVRBNXZVGTGOC-HAQNSBGRSA-N 302.334 -0.189 30 20 DBED N#CCN1CC[C@@H]2[C@H](CCCN2C(=O)CN2C(=O)CCC2=O)C1 1021729493 FNAAYBQBJYJUDV-CHWSQXEVSA-N 318.377 -0.028 30 20 DBED C#CCN[C@H]1C[C@@H](NC(=O)[C@H]2COCCN2CC(F)F)C1 1022495000 VFLZVYCYHGMGKC-GRYCIOLGSA-N 301.337 -0.178 30 20 DBED C=CCn1cc(C(=O)NC2CCC(N[C@@H](C)C(N)=O)CC2)nn1 1026573502 HOEWITSUZNADJJ-UNXYVOJBSA-N 320.397 -0.032 30 20 DBED COCCn1cc(C(=O)N2CCC[C@H](N(C)CC#N)C2)nn1 1027408372 NRHPKDFTHHRXCI-LBPRGKRZSA-N 306.370 -0.016 30 20 DBED CN(C)C(=O)[C@@H]1CC[C@H](C(=O)NC[C@H]2CCCN2CC#N)O1 1028136304 LNQPGCQFRNUELH-UPJWGTAASA-N 308.382 -0.274 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)[C@H]3CCCNC3=O)C2)C1=O 1030478270 DTHPPGYQIMYXFP-STQMWFEESA-N 320.393 -0.900 30 20 DBED C=C(C)CN1CC(NC(=O)c2ccc(=O)n(CCOC)n2)C1 1030641727 OYXHKNAKLFGFKQ-UHFFFAOYSA-N 306.366 -0.120 30 20 DBED C=C(C)CCN1CC(NC(=O)Cn2ncn3nccc3c2=O)C1 1031040184 ZVXZQLCXHMLMJT-UHFFFAOYSA-N 316.365 -0.342 30 20 DBED CNC(=O)[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C#N)[nH]1 1032361698 YATGTFOZKKTDCH-DLOVCJGASA-N 301.350 -0.080 30 20 DBED CC1(C)CC(=O)N(CC(=O)N2C[C@@H]3C[C@H]2CN3CC#N)C1=O 1032402463 CWKVESMPKVWCQY-QWRGUYRKSA-N 304.350 -0.420 30 20 DBED CCN(C(=O)c1cn(C)c(=O)n(C)c1=O)[C@H]1CCN(CC#N)C1 1033980736 ZAZVVIUETKKJIZ-NSHDSACASA-N 319.365 -0.856 30 20 DBED Cn1cnc2c(C(=O)NC[C@H]3CN(CC#N)CCO3)ccnc21 1035513153 SKHLZYIXDMBDKP-NSHDSACASA-N 314.349 -0.078 30 20 DBED C#CCN1CC2(CCN(C(=O)[C@H]3CN(C(C)=O)CCO3)CC2)C1 1035844412 GWCWCRJWMRUGBP-OAHLLOKOSA-N 319.405 -0.209 30 20 DBED CC[C@H]1CN(C(=O)CN2CCNC(=O)C2)CC[C@@H]1NCC#N 1037890982 LGKDLFSOMFFZNC-STQMWFEESA-N 307.398 -0.842 30 20 DBED C=CCOCC(=O)N1CC[C@](O)(CNC(=O)[C@@]23COC[C@@H]2C3)C1 1040065096 MSFMTXRQLIGCHJ-RCBQFDQVSA-N 324.377 -0.695 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(O)(CNC(=O)CC(F)(F)F)C1 1041828022 YIMCKEYYSDLMQW-NSHDSACASA-N 324.299 -0.045 30 20 DBED CO[C@H](C)CC(=O)NCC1(O)CN(C(=O)c2cc(C#N)c[nH]2)C1 1041938124 PVQWTNGVQFOCDF-SNVBAGLBSA-N 320.349 -0.386 30 20 DBED CN(C(=O)Cn1cnnn1)C1CN(Cc2ccc(C#N)s2)C1 1042460576 VULWHDZMDQXWLG-UHFFFAOYSA-N 317.378 -0.051 30 20 DBED C=CCN1CC[C@@H](N2CC(N(C)C(=O)[C@H]3CCC(=O)N3)C2)C1=O 1042542345 QZNKNCXRHCOWMP-CHWSQXEVSA-N 320.393 -0.806 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)C2=CCOCC2)C1 1042722110 DUNNLOABOMBWHB-GFCCVEGCSA-N 322.361 -0.939 30 20 DBED CCc1nc(C#N)cc(N[C@@H]2CN(C(=O)C(N)=O)C[C@H]2C)n1 1043472328 AUXORSSPIGKWIH-PSASIEDQSA-N 302.338 -0.345 30 20 DBED COCCOCCC(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1043695455 VOLOVOXNTATZCB-UHFFFAOYSA-N 324.377 -0.858 30 20 DBED C=CCCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2nc[nH]n2)C1 1044771215 SUXVPIBFVRZUTO-JTQLQIEISA-N 323.353 -0.911 30 20 DBED Cc1n[nH]c(C)c1C(=O)N1CC(O)(CNC(=O)[C@@H](C)C#N)C1 1045546093 IDOCESQINFOXRF-QMMMGPOBSA-N 305.338 -0.511 30 20 DBED N#CCN1[C@H]2CC[C@H]1CN(C(=O)CN1CC(=O)NC1=O)CC2 1045864792 HAAFIIPDYKTGMG-QWRGUYRKSA-N 305.338 -0.873 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)[C@H]2OCC[C@H]2C)C1 1046788648 UPBDWASTCGAJBY-AGIUHOORSA-N 324.377 -0.861 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCN2C(=O)CCC)C1 1047635154 BFVXTTOEHVRCNZ-ILXRZTDVSA-N 321.421 -0.086 30 20 DBED CNC(=O)NCC(=O)N[C@H](C)[C@@H]1CCN(C(=O)C#CC(C)C)C1 1050678981 ISBSUNWRXMISBT-CHWSQXEVSA-N 322.409 -0.072 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)[C@H]1CCc2cnn(C)c2C1 1051085966 ILBFQDGJPJUZTC-DZGCQCFKSA-N 316.405 -0.025 30 20 DBED CC#CCN1CCOC[C@H]1CNC(=O)[C@@H]1CCC(=O)N(C)C1 1051259317 VFMHDXNJECLSRY-ZIAGYGMSSA-N 307.394 -0.305 30 20 DBED N#CCN1CCN([C@@H]2CCN(C(=O)[C@@H]3CCNC(=O)C3)C2)CC1 1052011119 NBTVAZMUTZJUBB-ZIAGYGMSSA-N 319.409 -0.745 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)[C@H]3CN4CCC3CC4)CO2)C1 1053802461 BDPSKXPKQHWYOO-KBPBESRZSA-N 304.394 -0.189 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)[C@H]3OCCO[C@H]3C)CO2)C1 1053836893 ULMSPIHMJKSXSJ-IHRRRGAJSA-N 308.378 -0.227 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)c3cc(CN(C)C)on3)CO2)C1 1053853396 DYCSYXURZUCQCX-GFCCVEGCSA-N 318.377 -0.058 30 20 DBED C=C(Cl)CN1CC2(C[C@H](NC(=O)[C@@H]3CCNC3=O)CO2)C1 1053889768 QXWOAAMWDAWELR-WDEREUQCSA-N 313.785 -0.166 30 20 DBED O=C(N[C@]1(CO)CCCN(C(=O)C#CC2CC2)C1)c1nc[nH]n1 1056045628 MRCAGIKJCQXKCW-OAHLLOKOSA-N 317.349 -0.699 30 20 DBED C[C@@H](C#N)C(=O)N[C@@]1(CO)CCCN(C(=O)c2ccnnc2)C1 1056096537 ITOYWIBDPRATPR-NHYWBVRUSA-N 317.349 -0.280 30 20 DBED Cn1cncc1CC(=O)NC1[C@@H]2CN(c3ccc(C#N)nn3)C[C@@H]12 1056252186 APGXDDIZZMEIFP-CHWSQXEVSA-N 323.360 -0.125 30 20 DBED N#Cc1cccnc1N1C[C@H]2[C@H](NC(=O)Cn3nccn3)[C@H]2C1 1056316102 QCLDJLMXTGSWAK-IMRBUKKESA-N 309.333 -0.204 30 20 DBED CN(c1ccnc(C#N)n1)[C@H]1CCN(C(=O)c2cn(C)nn2)C1 1056917151 QXEDVXWPXDYTGF-JTQLQIEISA-N 312.337 -0.172 30 20 DBED CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)c1ccc(C#N)[nH]1 1057058300 OZXLHMQCCPSXKF-NSHDSACASA-N 322.365 -0.138 30 20 DBED N#Cc1nccnc1NC1CCN(C(=O)[C@@H]2COC(=O)N2)CC1 1057320473 HOXIQKCJUNVNPD-NSHDSACASA-N 316.321 -0.140 30 20 DBED C#CCOCCC(=O)N(CCO)CCNC(=O)C(C)(C)F 1057578831 BDMICQJGEDRBCH-UHFFFAOYSA-N 302.346 -0.289 30 20 DBED O=C(C#CC1CC1)NCCN(CCO)C(=O)[C@@]12COC[C@@H]1C2 1057830351 FFJHVWZHTVAUGR-BBRMVZONSA-N 306.362 -0.627 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)CCc1cncnc1 1058091418 RXRXCZBSMXXMSR-LBPRGKRZSA-N 319.365 -0.494 30 20 DBED C[C@]1(C(=O)N[C@H]2C[C@H](Nc3nccnc3C#N)C2)CNC(=O)C1 1059355072 DTJDEHFNQLVDFZ-IQMDTDKHSA-N 314.349 -0.066 30 20 DBED CCn1ncc(C(=O)N[C@H]2C[C@@H](N=c3cc[nH]c(C#N)n3)C2)n1 1059629014 WRELYDFPFSMXMW-AOOOYVTPSA-N 312.337 -0.246 30 20 DBED C=CCOCC(=O)NC[C@@H]1COCCN1C(=O)c1cocn1 1061424402 TVVAJKNMFGKFRE-LLVKDONJSA-N 309.322 -0.166 30 20 DBED N#Cc1cncc(N2CCC[C@@H]2CNC(=O)[C@H]2C[C@H]2C(N)=O)n1 1061445450 RUVPIXDFJHXFHZ-UTUOFQBUSA-N 314.349 -0.445 30 20 DBED CC(C)C#CC(=O)NC[C@H]1COCCN1C(=O)Cc1nc[nH]n1 1061566660 RDZILANYSUWPGD-LBPRGKRZSA-N 319.365 -0.650 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)c1cnn(C)c1 1061846083 MZTKOYQPEVYXIY-ZYHUDNBSSA-N 305.338 -0.463 30 20 DBED C[C@@H](C#N)C(=O)N1CCc2c(CNC(=O)C(N)=O)cccc2C1 1061947716 XFICXPBTPZZRCW-JTQLQIEISA-N 314.345 -0.168 30 20 DBED C=CCOCC(=O)NC1(CNC(=O)CNC(=O)OC)CCC1 1062631991 HFWPKWCBIYEABQ-UHFFFAOYSA-N 313.354 -0.300 30 20 DBED C=CCOCC(=O)NCC1(NC(=O)CNC(=O)NC)CCC1 1062704379 ITBZKDWTPDNKRP-UHFFFAOYSA-N 312.370 -0.727 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NC1(CNC(=O)C(N)=O)CCC1 1064295592 UHQFSFJNYLPYNK-MNOVXSKESA-N 309.366 -0.392 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)[C@@H]2CCCNC2=O)CCC1 1064304752 HYRMGASDQOOAFO-GHMZBOCLSA-N 306.366 -0.173 30 20 DBED N#Cc1nccc(N2CC[C@@]3(CCN(C(=O)CC(N)=O)C3)C2)n1 1064609171 GXXBKEPFEXZBRM-OAHLLOKOSA-N 314.349 -0.348 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)[C@H]2CCOC2)CCO1 1064935691 WITLKVPQCAAGLX-STQMWFEESA-N 312.366 -0.431 30 20 DBED C=CCCC(=O)N1CCO[C@H](CNC(=O)C[C@@H]2CCNC2=O)C1 1064957787 QDPMZQNHVQIPRQ-QWHCGFSZSA-N 323.393 -0.178 30 20 DBED C#CCO[C@H](C)C(=O)N1CCO[C@@H](CNC(=O)COCC=C)C1 1065152328 JTBMAMCQZHXCRP-KGLIPLIRSA-N 324.377 -0.429 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CN(C(=O)c2ccn(C)n2)CCO1 1065172341 XPIJHBSGIGDRKA-MNOVXSKESA-N 305.338 -0.463 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CN(C(=O)c2csnn2)CCO1 1065383250 ILYBHNBBTRADJE-DTWKUNHWSA-N 309.351 -0.345 30 20 DBED C[C@H]1CN(C(=O)c2cnon2)C[C@@H]1CN=c1cc[nH]c(C#N)n1 1065869341 ZDQSSLLLHVZNFM-UWVGGRQHSA-N 313.321 -0.027 30 20 DBED CN(CCCN(C)C(=O)CS(C)(=O)=O)C(=O)C#CC1CC1 1066959694 WHNYVNKAPZNYCP-UHFFFAOYSA-N 314.407 -0.249 30 20 DBED N#Cc1cnc(N2C[C@@H](O)[C@H](CNC(=O)c3ccncc3)C2)cn1 1067642755 JXVDWRAPNFFSJZ-TZMCWYRMSA-N 324.344 -0.030 30 20 DBED CC(C)C#CC(=O)N1CC2(CC[C@H](CNC(=O)C(N)=O)O2)C1 1068615936 DPEFROUDXGTSBP-LLVKDONJSA-N 307.350 -0.993 30 20 DBED CN(C(=O)[C@@H]1COC(=O)N1)C1CC(Nc2ccc(C#N)nn2)C1 1069736061 VLCPLFNCIANQHA-ILDUYXDCSA-N 316.321 -0.142 30 20 DBED C=CCOCC(=O)N[C@@H]1CCCN(C(=O)[C@@H](C)NC(C)=O)C1 1070391491 WBDMVWWTUMQTGJ-DGCLKSJQSA-N 311.382 -0.179 30 20 DBED Cc1cc(C(=O)N2CCC(=O)NCCN(CC#N)CC2)n(C)n1 1070944845 MWDROZJXFKDLLE-UHFFFAOYSA-N 318.381 -0.484 30 20 DBED N#CCN1CCNC(=O)CCN(C(=O)Cc2cscn2)CC1 1071006877 ACKCAUQOEKCESW-UHFFFAOYSA-N 321.406 -0.140 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H](NC(=O)COCCN(C)C)C1 1071229555 SYMJCVZWTGEXFK-QWHCGFSZSA-N 310.398 -0.169 30 20 DBED C#CCOCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2(C(N)=O)CC2)C1 1072102980 YZBWRHHFOGQINO-NEPJUHHUSA-N 321.377 -0.745 30 20 DBED C[C@@H](C(N)=O)N1CCCO[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 1073576177 ZBRAGDXHUPZSEO-GXFFZTMASA-N 319.365 -0.419 30 20 DBED C=CCCOCC(=O)N1CC[C@@H](NC(=O)CC(N)=O)[C@H](C)C1 1073845604 FGJPQJGIKOUSLU-VXGBXAGGSA-N 311.382 -0.192 30 20 DBED C#CCOCCC(=O)N[C@H]1CCN(C(=O)CC(=O)NC)C[C@@H]1C 1073959120 CHWSZEKCGXOMLZ-STQMWFEESA-N 323.393 -0.484 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CCN(C(=O)Cc2cnc[nH]2)CC1 1074759808 YHUAKGPSYFIGAW-NSHDSACASA-N 319.365 -0.418 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CCN(C(=O)C(F)F)[C@@H](C)C1 1074942367 WKLKUOHODJQCPZ-UWVGGRQHSA-N 315.320 -0.113 30 20 DBED O=C1CC[C@@H](N2C[C@@H]3CCN(C(=O)C#CC4CC4)[C@@H]3C2)C(=O)N1 1075780448 NHXKFAVNUJETHU-BFHYXJOUSA-N 315.373 -0.262 30 20 DBED N#CCN1C[C@@H]2CCN(C(=O)[C@@H]3CCc4nn[nH]c4C3)[C@@H]2C1 1076456504 PBIRVKSJVUJWPC-UHIISALHSA-N 300.366 -0.034 30 20 DBED C[C@@H](CCNC(=O)C1CS(=O)(=O)C1)NC(=O)[C@@H](C)C#N 1076670981 FPNNAXITBXBCLL-IUCAKERBSA-N 301.368 -0.798 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NCC[C@H](C)NC(=O)CC(N)=O 1076738321 YAKHOMNWZXOYOV-TUAOUCFPSA-N 311.382 -0.146 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1nc[nH]n1 1077125624 ZMSOLOKSJUYBLB-RYUDHWBXSA-N 318.381 -0.473 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)c2ccnc3c2nnn3C)C1 1077577421 GMIQVYIBAGYEDH-VXGBXAGGSA-N 314.349 -0.839 30 20 DBED N#CCSCC(=O)N1C[C@H](CNC(=O)c2ccon2)[C@@H](O)C1 1081305786 VCLSNPRAWMXCBO-ONGXEEELSA-N 324.362 -0.520 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)Cn2nccn2)C[C@@H]1O 1081335689 NYEFSXVPJMIQTC-RYUDHWBXSA-N 307.354 -0.820 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(C(=O)c2ncccn2)C[C@H]1O 1081471257 LFZDNLUYEUGEQJ-QWHCGFSZSA-N 314.345 -0.561 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2ccc3oc(O)nc3c2)C1 1083543939 YAUMDVKAWFHZGH-NEPJUHHUSA-N 301.302 -0.059 30 20 DBED CC#CCN1CC[C@@H]2CN(C(=O)CN3CCN(C)C(=O)C3)[C@@H]2C1 1084464421 CBRJHDVHPVBTKJ-HUUCEWRRSA-N 318.421 -0.684 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2nonc2C)C[C@H]1c1cnn(C)c1 1087012220 MDHUYJHDDZNQFS-QWHCGFSZSA-N 314.349 -0.057 30 20 DBED COc1ccncc1CC(=O)N[C@@H]1CCN(CC#N)C[C@@H]1O 1090357053 AYPFFDMMMGFXSQ-OLZOCXBDSA-N 304.350 -0.292 30 20 DBED Cc1cc(C#N)nc(N2C[C@@H](O)[C@H](NC(=O)C#CC3CC3)C2)n1 1090414582 LKBAHCQBSAWYFO-ZIAGYGMSSA-N 311.345 -0.264 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2cc3n(n2)CCCO3)[C@@H](O)C1 1090419925 DFQWZIYSAVJXOZ-OCCSQVGLSA-N 318.377 -0.146 30 20 DBED CCN(CC)CC(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1O 1090425793 AEPBGILVNMCSDW-HUUCEWRRSA-N 317.393 -0.039 30 20 DBED N#Cc1nc(=N[C@H]2C[C@@H](NC(=O)CC(N)=O)C23CCC3)cc[nH]1 1090593120 BMGIDRWGHJPBTQ-VHSXEESVSA-N 314.349 -0.515 30 20 DBED C#CCOc1ccc(C(=O)N[C@H]2CCN(CCO)C[C@H]2O)cc1 1090624144 MPXDXPILFUBSHR-JKSUJKDBSA-N 318.373 -0.144 30 20 DBED CC(=O)N(C)CC(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@@H]1O 1091075140 VAWIHSYQVDNQLX-KGLIPLIRSA-N 317.349 -0.903 30 20 DBED C#CCOCCC(=O)N[C@H]1CCN(c2cnc(F)cn2)C[C@H]1O 1092163613 DSJXKKFKKMRXTQ-NWDGAFQWSA-N 322.340 -0.289 30 20 DBED CC(=O)N[C@@H](C)C(=O)N[C@H]1[C@@H]2CN(c3ccnc(C#N)n3)C[C@@H]21 1093206911 ARBRSHFNYFVASC-HJUHTLPRSA-N 314.349 -0.576 30 20 DBED C#CCN1CC(OC2CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)C1 1093593555 JFXWWJQNFOOKEQ-AWEZNQCLSA-N 305.378 -0.410 30 20 DBED N#Cc1nc(=NCCNC(=O)c2cn3c(n2)COCC3)cc[nH]1 1094229336 IRKWSRZEIOUDPB-UHFFFAOYSA-N 313.321 -0.661 30 20 DBED Cc1c[nH]nc1C(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1 1094735913 WSPQNXWKADAGIQ-SNVBAGLBSA-N 302.338 -0.743 30 20 DBED CC#CCN1CC(N2C[C@@H](NC(=O)[C@]3(C)CCOC3)CC2=O)C1 1094801354 KXWKFBFLBAOQFQ-SUMWQHHRSA-N 319.405 -0.162 30 20 DBED CNC(=O)CC(=O)N1CCCN(c2ccc(C#N)nn2)CC1 1095177321 ONSMTEKJQRUJKP-UHFFFAOYSA-N 302.338 -0.477 30 20 DBED C[C@H](CC(N)=O)C(=O)N[C@H]1CCCN(c2ccnc(C#N)n2)C1 1096218248 FSXDEZNOICDAJB-MNOVXSKESA-N 316.365 -0.055 30 20 DBED N#Cc1nccc(N2CCN(CCNC(=O)C3CC3)CC2)n1 1096260624 ILKBWZJBOUZELP-UHFFFAOYSA-N 300.366 -0.004 30 20 DBED C[C@H](C#N)C(=O)NCCN1CCN(c2ccnc(C#N)n2)CC1 1096278172 MTPOGILUZXICQV-GFCCVEGCSA-N 313.365 -0.254 30 20 DBED C=CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN1C(=O)CN(C)C1=O 1096501324 AEBFSFFIPUWTGH-WOPDTQHZSA-N 306.366 -0.212 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cn(C)c(=O)n(C)c1=O 1097967907 IVKUZYRTWYRVCF-RTXFEEFZSA-N 316.361 -0.948 30 20 DBED C[C@H](NC(N)=O)C(=O)NCC[C@@H](C)N=c1cc[nH]c(C#N)n1 1099040316 CPUUAMQBTBOMHN-BDAKNGLRSA-N 305.342 -0.866 30 20 DBED Cc1nc(CN2CC[C@@H](NC(=O)C#CC3CC3)[C@H](O)C2)n[nH]1 1099827316 VOAKNENHBSXSPM-CHWSQXEVSA-N 303.366 -0.422 30 20 DBED C=CCCN1CC[C@H](NC(=O)CCn2cnccc2=O)[C@H](O)C1 1100051076 RSBQJPUKZDRMIG-UONOGXRCSA-N 320.393 -0.239 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)Cn2ccnc2C)[C@H](O)C1 1100110407 VIMAOGQLAIGPHK-LSDHHAIUSA-N 322.409 -0.054 30 20 DBED C#CCCNC1CC(CNC(=O)[C@H](CCC(N)=O)NC(C)=O)C1 1100763022 CMXBJRFBXCVJBH-RUXDESIVSA-N 322.409 -0.736 30 20 DBED CCN(CCNC(=O)[C@@H]1CCC(=O)NC1)c1ccc(C#N)nn1 1100765722 WMULSFRVJBQORY-LLVKDONJSA-N 316.365 -0.183 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)CCCC(N)=O)c3nccn32)C1 1101654378 QHLQCRFRXMIUDW-GFCCVEGCSA-N 315.377 -0.256 30 20 DBED CN(CCNc1ccc(C#N)nn1)C(=O)[C@H]1CCC(=O)N1C 1101914598 LTTTXGSKKYHEDM-LLVKDONJSA-N 302.338 -0.161 30 20 DBED CN(CCN=c1cc[nH]cc1C#N)C(=O)CCS(C)(=O)=O 1102039307 ZLGUGXVUOKYAJR-UHFFFAOYSA-N 310.379 -0.320 30 20 DBED C=CCN(CC=C)C(=O)CN1C[C@@H](C)[C@H](CNC(=O)C(N)=O)C1 1102306365 QSQDAGFKAGXBRM-CHWSQXEVSA-N 322.409 -0.644 30 20 DBED CNC(=O)CC(=O)N(C)[C@H]1CCN(c2cnc(C#N)cn2)C1 1102698187 XLJHOSWAYSTOHY-NSHDSACASA-N 302.338 -0.479 30 20 DBED CC[C@H](CNC(=O)CS(C)(=O)=O)N=c1cc[nH]c(C#N)n1 1102997552 NGGBTQDXIPJBTP-SECBINFHSA-N 311.367 -0.879 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1CCNC(=O)COCc1nncn1C 1103593850 QAYFDIILRQJYPU-CHWSQXEVSA-N 320.397 -0.071 30 20 DBED Cc1nsc(N2CCO[C@@H](CNC(=O)CC(N)=O)C2)c1C#N 1104305884 YZIPYCDUDNLNCK-VIFPVBQESA-N 323.378 -0.480 30 20 DBED CC(C)(C)C(=O)C(=O)N1CC(n2cc(CNCC#N)nn2)C1 1105197135 HUZDFQKMZHSAKO-UHFFFAOYSA-N 304.354 -0.110 30 20 DBED CC(C)[C@@H](CNC(=O)Cn1ncnn1)Nc1ccc(C#N)nn1 1105234832 MPBTYQKWMCTOIF-LLVKDONJSA-N 315.341 -0.412 30 20 DBED Cc1ncc(C(=O)NC[C@@H](O)CNc2cnc(C#N)cn2)[nH]1 1105749903 DOPAPYZPKMMWHX-JTQLQIEISA-N 301.310 -0.417 30 20 DBED Cn1ccc(C(=O)NC[C@@H](O)CNc2ccc(C#N)nn2)c1 1105793070 WISKCUFFVVIDQE-LBPRGKRZSA-N 300.322 -0.110 30 20 DBED CNC(=O)CC(=O)NC[C@H](O)CNc1ncc(C#N)cc1F 1105798762 KRPYGIHLEKSKKA-VIFPVBQESA-N 309.301 -0.883 30 20 DBED COCCCNC(=O)CNC[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1C 1105946711 ZKGJRBZSFNBYTH-MGPQQGTHSA-N 324.425 -0.017 30 20 DBED COCCC1(C(=O)NC[C@H](O)CN=c2cc[nH]c(C#N)n2)CC1 1105991546 JJEMDHGRFWSWHU-LLVKDONJSA-N 319.365 -0.524 30 20 DBED Cc1cc(C#N)nc(NC[C@H](O)CNC(=O)[C@@]2(F)CCOC2)n1 1106073834 ZAXGVXYVHXNLJN-BXUZGUMPSA-N 323.328 -0.326 30 20 DBED C#CCOCCC(=O)N[C@@H](C)CCNc1nccn2nnnc12 1106441496 ALWWYJHKCVMSMR-NSHDSACASA-N 317.353 -0.134 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@]1(C)CN(Cc2ncnn2C)CCO1 1107821740 UQZRKSXBLVCRQS-FZMZJTMJSA-N 306.370 -0.318 30 20 DBED C[C@]1(CNC(=O)CNC(=O)c2ccoc2)CN(CC#N)CCO1 1107963281 PKYKMABTTGCAIZ-HNNXBMFYSA-N 320.349 -0.260 30 20 DBED C#CCCN1CCO[C@@](C)(CNC(=O)CN2CCOCC2=O)C1 1107996726 GZKNOWZLQVSEEI-INIZCTEOSA-N 323.393 -0.924 30 20 DBED C[C@H](CNc1cnc(C#N)cn1)NC(=O)[C@@H]1CCC(=O)NC1 1108204103 QALSPFUQTRBSBM-NXEZZACHSA-N 302.338 -0.209 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)c2cn(CC=C)nn2)C1 1108266635 PFRSQUHWSZJUHA-OAHLLOKOSA-N 303.366 -0.082 30 20 DBED Cn1cccc(C(=O)NC[C@]2(C)CN(CC#N)CCO2)c1=O 1108349736 NFWPKECLJCTNSU-OAHLLOKOSA-N 304.350 -0.270 30 20 DBED C[C@@H](CNc1cncc(C#N)n1)NC(=O)COCCN(C)C 1108453727 KHXNRTSYTLNUBJ-NSHDSACASA-N 306.370 -0.157 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)CCn3ccnc3)CC2=O)C1 1108558299 DVRVQMIKWYLEBN-ZDUSSCGKSA-N 315.377 -0.692 30 20 DBED CS(=O)(=O)NCCC(=O)N1C[C@H]2C[C@H](NCC#N)C[C@H]1C2 1108699657 ITDWAXIAGIWXCI-SDDRHHMPSA-N 314.411 -0.582 30 20 DBED C[C@H](CN(C)c1ccc(C#N)nn1)NC(=O)CCCC(N)=O 1109013612 YEGMWFYOHNQRJE-SNVBAGLBSA-N 304.354 -0.055 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@]1(F)CCOC1 1110941135 QRCWOEIWCZXJNS-FOCJUVANSA-N 323.368 -0.414 30 20 DBED CC(=O)NCC(=O)N(CCO)CCNc1ncc(C#N)cc1F 1111421841 YLLDDDPTAUCSCP-UHFFFAOYSA-N 323.328 -0.539 30 20 DBED COCCOCC(=O)N(CCO)CCNc1cncc(C#N)n1 1111436009 NJHQYVAYQQRFFO-UHFFFAOYSA-N 323.353 -0.756 30 20 DBED CCO[C@@H](C)C(=O)N1CCO[C@H](CN=c2cc[nH]c(C#N)n2)C1 1111934728 IIBKITFLEREMGV-NWDGAFQWSA-N 319.365 -0.166 30 20 DBED CCc1[nH]ccc1C(=O)N1CCN(CC(=O)NCC#N)CC1 1112817682 ZEKAWKKDZSMDJH-UHFFFAOYSA-N 303.366 -0.025 30 20 DBED C[C@@H](NC(=O)CCNC(N)=O)[C@@H](C)Nc1cnc(C#N)cn1 1113038071 ABIIAMJDCTVDEP-RKDXNWHRSA-N 305.342 -0.288 30 20 DBED C[C@H](N=c1cc[nH]c(C#N)n1)[C@@H](C)NC(=O)C1CS(=O)(=O)C1 1113183447 PGKDTVVYAZZOEY-DTWKUNHWSA-N 323.378 -0.880 30 20 DBED C[C@H](NC(=O)C1(C(N)=O)CC1)[C@@H](C)Nc1cnc(C#N)cn1 1113274847 WHSYEFOWCSRAFK-BDAKNGLRSA-N 302.338 -0.081 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@H](C)N(C)c1ccc2nnnn2n1 1113582614 LNLMDXPVGFGAEU-QMTHXVAHSA-N 319.369 -0.213 30 20 DBED Cc1cc(C#N)nc(N(C)[C@H](C)CNC(=O)Cn2nccn2)n1 1113736741 KKQWKTQKUXFOGI-LLVKDONJSA-N 314.353 -0.111 30 20 DBED COC[C@H](OC)C(=O)NC[C@H](C)N(C)c1nccnc1C#N 1113858057 QQLWJYVRPNFMFE-JQWIXIFHSA-N 307.354 -0.049 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)c3ccns3)[C@@H]2C1 1114343034 GXVDTFJPSDWIHB-NXEZZACHSA-N 304.375 -0.448 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)[C@H]3CCCNC3=O)[C@@H]2C1 1114433527 LGHDXVGHQUOMBB-YNEHKIRRSA-N 305.378 -0.791 30 20 DBED N#Cc1nccnc1N1C[C@@H]2C(CNC(=O)Cn3cncn3)[C@H]2C1 1114552079 KURCJKLDTJSXDF-VXGBXAGGSA-N 324.348 -0.562 30 20 DBED C=C(C)CN1C[C@H]2[C@H](NC(=O)CCn3ncn(C)c3=O)[C@H]2C1 1114615895 FTDUCMKVRBQNNG-IMRBUKKESA-N 305.382 -0.406 30 20 DBED C=CCN1C[C@H]2[C@H](NC(=O)CS(=O)(=O)NC(C)(C)C)[C@H]2C1 1115254434 NPHICZVDAOUIGJ-PJXYFTJBSA-N 315.439 -0.063 30 20 DBED C=CCO[C@H](C)C(=O)NC1[C@@H]2CN(Cc3cnnn3C)C[C@@H]12 1115332602 PGIZJIXPTMXFAL-RAIGVLPGSA-N 305.382 -0.047 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCC(O[C@@H]2CCOC2)CC1 1118072187 MHIDNJYUFALKDM-CQSZACIVSA-N 324.377 -0.451 30 20 DBED CN1CCC[C@H]1C(=O)NC[C@H](CO)Nc1ccc(C#N)nn1 1121241288 LWNCHJQQRZESID-NEPJUHHUSA-N 304.354 -0.669 30 20 DBED CCNC(=O)CC(=O)NC[C@H](CO)Nc1nc(C)cc(C#N)n1 1121464254 JXYPVNJARLHUET-LLVKDONJSA-N 320.353 -0.928 30 20 DBED CN1CC[C@H](C(=O)NC[C@H](CO)N=c2cc[nH]cc2C#N)C1 1121588982 DSFOGWUALJWFSL-WCQYABFASA-N 303.366 -0.784 30 20 DBED COCC[C@@H](C)C(=O)NC[C@H](CO)N=c1cc[nH]cc1C#N 1121607483 PBXXTBOSMZVOMB-DGCLKSJQSA-N 306.366 -0.063 30 20 DBED Cn1cncc1C(=O)NC[C@@H](CO)Nc1ccc(C#N)nn1 1122219533 XTUSHKSLFQBTKB-JTQLQIEISA-N 301.310 -0.715 30 20 DBED Cc1cc(C(=O)N(C)C[C@H](O)CN=c2cc[nH]c(C#N)n2)no1 1124072136 JXJFUUUPSCSVKI-SNVBAGLBSA-N 316.321 -0.388 30 20 DBED CCC(=O)NCC(=O)N(C)C[C@H](O)CNc1cnc(C#N)cn1 1124185852 TXZJLGCDFQATMZ-LLVKDONJSA-N 320.353 -0.894 30 20 DBED C=CCCO[C@@H](C)C(=O)NCCN[C@@H](C)C(=O)NC(N)=O 1124495906 SUPPOSXMDCYNGB-UWVGGRQHSA-N 300.359 -0.743 30 20 DBED CN(C[C@@H](O)CNc1ccc(C#N)nn1)C(=O)[C@@H]1[C@H]2COC[C@H]21 1124654755 WHELXMCSPMXOQM-CIQGVGRVSA-N 317.349 -0.528 30 20 DBED CN(C[C@H](O)CN(C)c1cccc(F)c1C#N)C(=O)C(N)=O 1125247249 MABBSKHKQIJANU-SECBINFHSA-N 308.313 -0.562 30 20 DBED COc1ccc(CNCCNC(=O)[C@H]2COC(=O)N2)cc1C#N 1126548554 OMWUKMZPFLLVSD-GFCCVEGCSA-N 318.333 -0.119 30 20 DBED N#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)COCC(F)F)C1 1129133591 BKUUJSKDRTUONB-ZJUUUORDSA-N 314.296 -0.575 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)C2(C(=O)NC)CC2)C1 1129317242 SGCQNPUSRDNDNU-NEPJUHHUSA-N 318.381 -0.668 30 20 DBED CC(=O)N[C@@H](C)C(=O)NCc1c[nH]nc1[C@H]1CCN(CC#N)C1 1130342133 AZSIQFPBISWXEI-JQWIXIFHSA-N 318.381 -0.137 30 20 DBED CN1C[C@H](C(=O)NCCNCc2cc(C#N)ccc2F)NC1=O 1132386985 NNLYGVYOWMMOHH-CYBMUJFWSA-N 319.340 -0.073 30 20 DBED CCS(=O)(=O)NCC(=O)N1CC[C@H](C)[C@@H](CNCC#N)C1 1132865510 NVGBOKFWICPOLY-RYUDHWBXSA-N 316.427 -0.477 30 20 DBED Cn1cc2c(n1)CCC[C@H]2C(=O)NCCNCC(=O)NCC#N 1132927128 YUAZWMGYKOJDDT-LLVKDONJSA-N 318.381 -0.814 30 20 DBED C#CCNC(=O)CNC[C@H]1CN(C(=O)c2cnn[nH]2)CC[C@@H]1C 1132942084 WHIWEPLUMXYEGG-RYUDHWBXSA-N 318.381 -0.758 30 20 DBED CCCOc1cccnc1C(=O)NCCNCC(=O)NCC#N 1133297222 KDIQEMCZSHGOQT-UHFFFAOYSA-N 319.365 -0.170 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@@H](CC(=C)C)NC(C)=O 1134821382 PLKNTEACNRXYKV-GXTWGEPZSA-N 322.409 -0.699 30 20 DBED C[C@@H](C[C@@H](C)NCC(=O)NCC#N)NC(=O)Cc1cnc[nH]1 1135575641 JINAIUGDPVQIJN-MNOVXSKESA-N 306.370 -0.535 30 20 DBED C=CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)CCn1cnnn1 1135758999 FOTKHZXDSLXZOU-NWDGAFQWSA-N 323.401 -0.762 30 20 DBED C#CCN[C@@H](C)C[C@@H](C)NC(=O)CN1CCS(=O)(=O)CC1 1146314834 OGMDFHJSPZMXDU-QWHCGFSZSA-N 315.439 -0.777 30 20 DBED C[C@@H](C[C@@H](C)NCC(=O)NCC#N)NC(=O)CCCC(N)=O 1146798117 OKCLAKHZZVLKQJ-MNOVXSKESA-N 311.386 -0.845 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)[C@H](CC)OC)C2 1147116759 FLVGPYILCKAADB-ZDUSSCGKSA-N 307.394 -0.305 30 20 DBED C#CCNC(=O)CC(=O)N1CC2(CCN(CCC[C@H](C)O)C2)C1 1147369078 UNZWOXVEJNLNPM-AWEZNQCLSA-N 321.421 -0.179 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(Cc2nnnn2C)CCCO1 1149672335 AHQMXLTYZRTXPJ-ZDUSSCGKSA-N 320.397 -0.423 30 20 DBED COCC#CCN1CCCO[C@H](CNC(=O)c2cnn[nH]2)C1 1149936602 JGIXBBKUVROZPE-GFCCVEGCSA-N 307.354 -0.725 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)C1CCN(CC#C)CC1 1152330998 YQUXJBMBGOGUFL-CQSZACIVSA-N 318.421 -0.825 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)Cc1cc[nH]n1 1152521458 NDZOPUBKGUPBHS-GFCCVEGCSA-N 305.382 -0.472 30 20 DBED C#CCCN(CC)[C@H](C)CNC(=O)CN1C(=O)C(=O)N(C)C1=O 1155607345 MVVLZUATSPZOLT-LLVKDONJSA-N 322.365 -0.743 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCCNC[C@@H](O)COCCOC 1157201934 NNBATSKIIOHBRK-UKRRQHHQSA-N 318.414 -0.567 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)C[C@H]1CCCC(=O)N1 1162183470 HZRHGSYWPZXWIW-CHWSQXEVSA-N 324.425 -0.168 30 20 DBED C=CCNC(=O)CNCC1(CCNC(=O)CNC(=O)CC)CC1 1163824390 BNBRKLQKXNKVRN-UHFFFAOYSA-N 324.425 -0.309 30 20 DBED C=CCCn1cc(C(=O)NCCCNCC(=O)N2CCC2)nn1 1167992408 WFSUMJLEPQJOPG-UHFFFAOYSA-N 320.397 -0.204 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@@H]1CCc2nc[nH]c2C1 1170432527 USJPKBHTWHRNGW-GFCCVEGCSA-N 317.393 -0.640 30 20 DBED C#CCCN1CCO[C@@H]2CCN(C(=O)COCCOC)C[C@H]21 1176969430 LMKHDHIUUJACEU-HUUCEWRRSA-N 310.394 -0.026 30 20 DBED CC1(C(=O)N2CC[C@H]3OCCN(CC(=O)NCC#N)[C@H]3C2)CC1 1177012521 JTRUDWZJVHKKMJ-QWHCGFSZSA-N 320.393 -0.272 30 20 DBED C#CCCNC[C@]1(C)CN(C(=O)Cn2ncn(C)c2=O)C[C@H]1C 1181951893 MFTYLQICGRFQHI-CZUORRHYSA-N 319.409 -0.321 30 20 DBED CC#CCCCC(=O)N1CC[C@@H](NCC(=O)NC(=O)NC)C1 1185020639 ZHFFNCMKJPANOO-GFCCVEGCSA-N 308.382 -0.174 30 20 DBED C=CCCn1cc(C(=O)N2CC[C@@H](NCC(=O)NCC)C2)nn1 1186221774 OMTSUFYOTXVWSV-GFCCVEGCSA-N 320.397 -0.206 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2cc(CC)[nH]n2)C1 1191113970 KPAREXQGWVLGRQ-CHWSQXEVSA-N 321.381 -0.951 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)/C=C\C2CC2)C1 1192070655 OCBYAJGHPBBPOG-PATPMRNOSA-N 305.378 -0.748 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H](C)C(CC)CC)C1 1194308246 ITXCSDDROGQTGL-BPLDGKMQSA-N 323.437 -0.031 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@H](C)Cc2cnn(C)c2)C1 1197350499 WNMFLUZLXTYRIW-BPLDGKMQSA-N 304.394 -0.217 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CCN(C(=O)c2cnn(C)c2)CC1 1199257693 TYZJIROLTLYHOU-GFCCVEGCSA-N 317.393 -0.248 30 20 DBED CC(C)[C@@H](C(=O)N1CCC(NCC(=O)NCC#N)CC1)N(C)C 1201149893 OIYVUUGXGORSLA-HNNXBMFYSA-N 323.441 -0.207 30 20 DBED C#CCNCC1CCN(C(=O)CCCS(N)(=O)=O)CC1 1206100189 IGVYPUUJWRFSIQ-UHFFFAOYSA-N 301.412 -0.484 30 20 DBED CCN(CC)CC(=O)N1CCC(CNCC(=O)NCC#N)CC1 1206641750 AMULTRBPNGZMRR-UHFFFAOYSA-N 323.441 -0.204 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC[C@@H](NCc2nnnn2C)C1 1208017252 AYKURMAWQPFYQU-NWDGAFQWSA-N 306.370 -0.671 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](NCC(=O)NC(N)=O)C1 1209707256 DCROBLANKAGBKW-TUAOUCFPSA-N 324.381 -0.647 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@H](C)CN2CCOCC2)[C@H](OC)C1 1213863100 CTVKOEIBZFTFDE-RBSFLKMASA-N 309.410 -0.597 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(CC(=O)NC(C)(C)C)C[C@@H]1O 1219362397 ZMHZVGCLCXZPSM-NEPJUHHUSA-N 313.398 -0.735 30 20 DBED CN1CCC[C@H](N2C[C@H](O)[C@H](NC(=O)C#CC3CC3)C2)C1=O 1219591593 LRDUOYQKXRAEFA-RDBSUJKOSA-N 305.378 -0.818 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)CCCn2ccccc2=O)C1 1220139509 OFXHQVAMJYHZLH-OLZOCXBDSA-N 304.350 -0.687 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1CN([C@@H]2CCN(CC)C2=O)C[C@@H]1O 1220146838 SBYKYUCHPCYCNL-UPJWGTAASA-N 309.410 -0.019 30 20 DBED CCOCCn1cc(C(=O)N[C@@H]2CN(CC#N)C[C@@H]2O)cn1 1220618191 JEMXESRQBUYTLB-OLZOCXBDSA-N 307.354 -0.782 30 20 DBED C=CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3cnn(C)c3)[C@@H]2C1 1221253586 SETAMFLUMAXUFR-TZMCWYRMSA-N 317.393 -0.131 30 20 DBED N#CCNC(=O)CN1CCC(NC(=O)CSCC#N)CC1 1226144636 HXRODYAVPISZHO-UHFFFAOYSA-N 309.395 -0.536 30 20 DBED C#CCNC(=O)CC(=O)N(C)C[C@@H]1CCN1CCC[C@@H](C)O 1233808917 FDLGZCPVQKYRBM-KGLIPLIRSA-N 309.410 -0.180 30 20 DBED C#CCOCCC(=O)N(C)C[C@H]1CCN1[C@H](C)C(=O)NC(N)=O 1234246518 PKRPPTDQDGVBBK-VXGBXAGGSA-N 324.381 -0.858 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)CO[C@@H]1CCOC1 1234286357 MVDMPDGOVYBERA-ZIAGYGMSSA-N 323.393 -0.926 30 20 DBED C=CCCn1cc(C(=O)N2CC(N3CCN(C)CC3)C2)nn1 1262173059 RWJFYTFQOKUCGZ-UHFFFAOYSA-N 304.398 -0.074 30 20 DBED C=C(C)CNC[C@H]1CCCN1C(=O)C[C@H](NC(C)=O)C(N)=O 1270276119 VNPBLPQOBOIIMA-OLZOCXBDSA-N 310.398 -0.477 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)c1cccc(C(=O)NC)n1 1322591178 ZGVGFUFANORAQQ-UHFFFAOYSA-N 320.305 -0.390 30 20 DBED CN1C[C@@H](NC(=O)C(=O)N(C)Cc2ccc(C#N)cc2)CC1=O 1322595549 YSKBYAHCKCYTED-ZDUSSCGKSA-N 314.345 -0.136 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N[C@@H]1CC(=O)N(C(C)(C)C)C1 1323767867 UYJIXXCLYNAZEZ-GHMZBOCLSA-N 311.382 -0.181 30 20 DBED N#C[C@@]1(F)CCN(C(=O)C(=O)NCc2nnnn2C2CC2)C1 1324002676 ZJYYFMBPKNTVCQ-LBPRGKRZSA-N 307.289 -0.912 30 20 DBED C#C[C@@H](NC(=O)C(=O)N1CCC(C)(CO)CC1)[C@@H]1CCCO1 1324239793 ZGMSRGYJJJDCFL-OLZOCXBDSA-N 308.378 -0.096 30 20 DBED C=CC[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2CC[C@H](C(N)=O)O2)C1 1328147870 YXSQQLVNHLXSDD-JHJVBQTASA-N 323.393 -0.050 30 20 DBED Cn1c(S)nnc1CCNC(=O)NC1CCN(CC#N)CC1 1330670060 XIIHLXHTEKPBSI-UHFFFAOYSA-N 323.426 -0.067 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC(n2cc(C(N)=O)nn2)CC1 1331659534 QUYVAGHBGJVMBF-SNVBAGLBSA-N 304.354 -0.848 30 20 DBED C#CCN1CCC[C@@H](NC(=O)NC[C@H](O)c2cnn(C)c2)C1 1333678494 RXIWHUUWALPAQF-KGLIPLIRSA-N 305.382 -0.150 30 20 DBED CNC(=O)[C@H]1CCC[C@H]1NC(=O)C(=O)N[C@@H]1CC[C@H](C#N)C1 1349033117 ZAEGZPUKEZPKDQ-WHOHXGKFSA-N 306.366 -0.174 30 20 DBED O=C(NN1CCS(=O)(=O)CC1)c1cccc(C#CCO)c1 1350828498 HAPFGVUVXDHTOK-UHFFFAOYSA-N 308.359 -0.594 30 20 DBED COC(=O)C1(C#N)CCN(CC(=O)N[C@H](C)C(=O)N(C)C)CC1 1365293353 BUSODRZHGVNYNE-LLVKDONJSA-N 324.381 -0.642 30 20 DBED CCN(CCC#N)C(=O)CN[C@@H]1CCN(C(=O)COC)[C@H]1C 1369395348 YVOVLSANBBMDRF-QWHCGFSZSA-N 310.398 -0.026 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1C[C@@H](NC(=O)CCS(C)(=O)=O)C1 1371702132 DIFKHYYNHXALRO-MXWKQRLJSA-N 315.395 -0.408 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C)C(=O)c1ccc2nnc(O)n2c1 1387083523 VHBOTBNBQIKXBB-VIFPVBQESA-N 316.321 -0.217 30 20 DBED CCN(CCNC(=O)Cn1ccc(O)nc1=O)C(=O)[C@@H](C)C#N 1415690126 JZMIUSVXTONFRS-JTQLQIEISA-N 321.337 -0.927 30 20 DBED CC[C@@H]1C(=O)NCCCN1S(=O)(=O)N1CCO[C@@H](C#N)C1 1424719437 ZJRDVINEYVKYCU-WDEREUQCSA-N 316.383 -0.944 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1noc2c1COCC2 1431537807 ISDWYYZEDNEDIC-RKDXNWHRSA-N 322.321 -0.886 30 20 DBED N#Cc1ncn(CCNC(=O)N2CCC[C@H]2C2OCCO2)n1 1434799168 IDCXSHLXZLOHDB-JTQLQIEISA-N 306.326 -0.303 30 20 DBED CCn1nc(C)c(CN2CC(O)(CNC(=O)[C@@H](C)C#N)C2)n1 1440037571 HRWHTWRGDWUOTB-JTQLQIEISA-N 306.370 -0.571 30 20 DBED CCCN(CCNC(=O)[C@@H](C)C#N)C(=O)C1CN(C(C)=O)C1 1449782653 VIJSJUIIFWXLGF-NSHDSACASA-N 308.382 -0.021 30 20 DBED CN(CCNC(=O)[C@H]1CCNC(=O)C1)C(=O)c1cc(C#N)c[nH]1 1455200645 INFXVTSXRZJYIC-NSHDSACASA-N 317.349 -0.399 30 20 DBED C[C@H](C#N)C(=O)NCCN1CCN(C(=O)c2ncccn2)CC1 1493185518 UFWODXAKKJOPNF-GFCCVEGCSA-N 316.365 -0.490 30 20 DBED C#CCN1CC2(C1)CN(C(=O)[C@@H](C)OCc1cnn[nH]1)CCO2 1574966855 IWNAPVIKWQXAOK-GFCCVEGCSA-N 319.365 -0.744 30 20 DBED C[C@@H]1CC[C@@H](C(N)=O)CN1c1cnc(-c2nn[nH]n2)c(C#N)n1 1576100054 IXDLXDNJSIHSLA-HTQZYQBOSA-N 313.325 -0.381 30 20 DBED N#C[C@@]12CN(C(=O)C3=CCCNCC3)C[C@H]1CS(=O)(=O)C2 1580055981 DGJQZCOYUYZZOK-JSGCOSHPSA-N 309.391 -0.307 30 20 DBED C#CCN(CC(=O)O)C(=O)CCCn1ccc(C(=O)OC)n1 1588402057 KIXFPBQJXIFULF-UHFFFAOYSA-N 307.306 -0.004 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)OCC2(C(=O)O)CC2)C1=O 1588832151 CZITVULSIYIGTF-UHFFFAOYSA-N 310.262 -0.629 30 20 DBED C=CCNC(=O)CN1CCC(C)(NC(=O)[C@H]2C[C@@H]2C(=O)O)CC1 1588839822 WJHCPMYWXOLRQA-RYUDHWBXSA-N 323.393 -0.020 30 20 DBED COCCn1cc(C(=O)N2CCC(C#N)(C(=O)O)CC2)nn1 1599270180 YCIDWOUBAGHUEI-UHFFFAOYSA-N 307.310 -0.245 30 20 DBED Cc1c(NC(=O)C(=O)N2CC[C@@](C)(C#N)C2)cnn1CC(=O)O 1600027156 SVAAOVWCXVNTBG-AWEZNQCLSA-N 319.321 -0.023 30 20 DBED C#CCNC(=O)CN1CCN(Cc2nc(C(=O)O)cs2)CC1 1602724885 JVUGTCRDSDYWTQ-UHFFFAOYSA-N 322.390 -0.292 30 20 DBED C=C(CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)NCC(=O)OC 1602775712 IDYWAAFJCBLUSW-JTQLQIEISA-N 312.322 -0.312 30 20 DBED N#Cc1ncc(N2CCCn3nncc3C2)nc1-c1nn[nH]n1 1606397222 LJVFUYDODMDZPF-UHFFFAOYSA-N 309.297 -0.470 30 20 DBED C#C[C@@H](CO)NCCC(=O)Nc1cccc(-c2nn[nH]n2)c1 1609018761 FXDNAZRZHISVOT-NSHDSACASA-N 300.322 -0.221 30 20 DBED N#Cc1nc(NC(=O)CC2CCNCC2)[nH]c1-c1nn[nH]n1 1609496341 GCEKNEHHBWPOHA-UHFFFAOYSA-N 301.314 -0.210 30 20 DBED Cc1nc(C#N)c(N2CCC(C(=O)NC(CO)CO)CC2)o1 1645748029 RCBVEEBDFSYOIL-UHFFFAOYSA-N 308.338 -0.460 30 20 DBED CNS(=O)(=O)N1CCC(C(=O)N2CC[C@](F)(C#N)C2)CC1 1647193791 HBOORXUVAWLAPU-LBPRGKRZSA-N 318.374 -0.373 30 20 DBED C[C@H](NCC#N)[C@H]1CCCCN1C(=O)Cn1ncn(C)c1=O 1752141015 BTPNILYMGZCGDA-NWDGAFQWSA-N 306.370 -0.535 30 20 DBED C=CCN1CCN(CCNC(=O)[C@H]2CCCN(C(N)=O)C2)CC1 1752367619 RFGJONZHFMXDLS-AWEZNQCLSA-N 323.441 -0.303 30 20 DBED C[C@@H](NC(=O)c1cnn[nH]1)[C@H]1CCCN(CC(=O)NCC#N)C1 1752836355 MWRIUEXOMRUHKZ-MNOVXSKESA-N 319.369 -0.725 30 20 DBED C#CCNC(=O)CN[C@H]1CCC[C@@H](NC(=O)COCC=C)C1 1752965531 QQCJDAZIHXCXGW-UONOGXRCSA-N 307.394 -0.045 30 20 DBED C#CCN1CC[C@H](N(CCC)C(=O)[C@H](C)NS(C)(=O)=O)C1 1753329155 VVOKYSUONGXHAV-STQMWFEESA-N 315.439 -0.130 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1CN([C@H](C)c2nnnn2C)C1 1753400678 GECDQJPENUHDHT-QMTHXVAHSA-N 308.386 -0.354 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@@H](C)CNC(=O)c1cnn(CC)c1 1753606590 AQDQFODPQKHVAG-CHWSQXEVSA-N 319.409 -0.004 30 20 DBED Cc1nnsc1CNC[C@@H](O)CNC(=O)CSCC#N 1753905287 GMEJSSGYDDLVOO-SECBINFHSA-N 315.424 -0.330 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@H](C)NC(=O)c1ccc(C(N)=O)o1 1754275388 XFGMJBYSIWSULY-UWVGGRQHSA-N 320.349 -0.776 30 20 DBED C=CCNC(=O)CN1CC[C@@H]1CNC(=O)[C@H](C)n1cncn1 1754481010 PTKWBSACOLNXEI-NWDGAFQWSA-N 306.370 -0.668 30 20 DBED C#CCO[C@H](C)C(=O)N[C@]1(C)CCN(CC(=O)NCC=C)C1 1754669864 HJKWJHYCNKBIPP-CZUORRHYSA-N 307.394 -0.093 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(Cc2nocc2C)C1 1754767903 XEKOMAQGCSDHMD-UHFFFAOYSA-N 307.350 -0.314 30 20 DBED C[C@@H](C(N)=O)N1CCC[C@](CO)(NC(=O)C#CC(C)(C)C)C1 1754856459 LNCNNGMQXBVLPF-LRDDRELGSA-N 309.410 -0.147 30 20 DBED CC[C@H](F)C(=O)N[C@@]1(CO)CCCN(CC(=O)NCC#N)C1 1754858333 YQQMRXZVSKTXCU-FZMZJTMJSA-N 314.361 -0.683 30 20 DBED C#CCNC(=O)CN1CCC[C@H](NC(=O)Cc2cnc[nH]2)CC1 1755028692 HFBGWWZEUTUVBQ-ZDUSSCGKSA-N 317.393 -0.328 30 20 DBED C#CCNC(=O)CN(C)[C@@H](C)CNC(=O)c1ccnc(OC)n1 1755307728 MFCPULAFZYUXCK-NSHDSACASA-N 319.365 -0.715 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](CNC(=O)CCOCC#C)[C@H]2C1 1755422664 ICSYDRVYOBRWTH-QKDCVEJESA-N 317.389 -0.930 30 20 DBED O=C(C#CC1CC1)NC1CC(CNC(=O)Cn2cncn2)C1 1755935911 GFVDHAATHPQRQJ-UHFFFAOYSA-N 301.350 -0.298 30 20 DBED C#CCC1(C(=O)N[C@H](CO)CNC(=O)[C@H]2CCC(=O)N2)CCC1 1756520511 XWEPTZJRNGTYHV-NWDGAFQWSA-N 321.377 -0.948 30 20 DBED C#CCCCC(=O)N1C[C@@H](O)[C@H](NC(=O)COCC2CC2)C1 1756978624 BOJZZCCRDIIDTJ-ZIAGYGMSSA-N 308.378 -0.096 30 20 DBED C=C1CC(C)(C(=O)N2C[C@@H](O)[C@H](NC(=O)CCNC(N)=O)C2)C1 1756995772 KTAXEVGVQIQKFE-GHMZBOCLSA-N 324.381 -0.911 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC(=O)NC2)C1 1757020273 WVXZGHKLSZYBBN-IJLUTSLNSA-N 309.366 -0.833 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](NC(=O)[C@H]2C[C@@H]2C)[C@H](OC)C1 1757142242 VNUDSXVRRZQWOK-WUHRBBMRSA-N 321.377 -0.876 30 20 DBED CN(C)CCCCC(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 1757196955 UTRQYEILJGHTLS-CABCVRRESA-N 321.421 -0.180 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)Cc1cnc[nH]1)CCO2 1783048803 KFVMUCROXLNIDY-OAHLLOKOSA-N 302.334 -0.585 30 20 DBED CC(C)(C)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC#N 1795083720 VYZUGOAZVCDFST-JJLQDPRZSA-N 322.409 -0.122 30 20 DBED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1C[C@@H]1F)CCO2 1839771543 MECHYWLMIHWNNG-SLEUVZQESA-N 310.325 -0.566 30 20 DBED C#CCCC(=O)N1CC2(CCCN2C(=O)CNC(=O)N(C)C)C1 1841136002 AUSJTGPWVSSMLT-UHFFFAOYSA-N 320.393 -0.126 30 20 DBED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)c2ncon2)C1 1844591769 FVNAVQZCAPKFDK-LLVKDONJSA-N 318.333 -0.075 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)[C@@H](C)NC=O)C1 1845176821 ROROCDSBLMONRB-OLZOCXBDSA-N 323.393 -0.085 30 20 DBED CC(C)NC(=O)C(=O)N1CCN(C(=O)CSCC#N)CC1 41789567 OTDFLWGYJWXAJT-UHFFFAOYSA-N 312.395 -0.561 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1CCC2(CC1)CNC(=O)C2 75014248 PKOXPCRHMVKHED-NSHDSACASA-N 308.382 -0.011 30 20 DBED N#C[C@H]1CN(CC(=O)N2CCN(C(=O)C3CC3)CC2)CCO1 106307577 AIFXBMLWUAHHTE-ZDUSSCGKSA-N 306.366 -0.708 30 20 DBED NC(=O)[C@@H]1CN(C(=O)C#Cc2ccc3c(c2)OCO3)CCO1 268679560 ZSFHNDRCRYIANH-ZDUSSCGKSA-N 302.286 -0.521 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N[C@H](C)[C@@H](CO)SC 272861353 PUKCLDCXLHLGIH-NXEZZACHSA-N 310.441 -0.001 30 20 DBED CCOC(=O)[C@H](F)C1CN(c2c(C#N)c(=O)n(C)c(=O)n2C)C1 293275324 XTBSICNMLMGYHW-SNVBAGLBSA-N 324.312 -0.707 30 20 DBED CC#CCN(C)C(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 294587589 PAMHXMAXCAIOAA-VXGBXAGGSA-N 312.391 -0.496 30 20 DBED C#CCN(C)C(=O)C(=O)N1CCN(CCC(=O)OC)C[C@@H]1C 297954560 VDYWYQUHZPLRJM-LBPRGKRZSA-N 309.366 -0.826 30 20 DBED C[C@H](O)CN1CCN(/C(O)=N/CCN2CCN=C(O)C2)CC1 329586306 YJLULSHCDRUGAL-LBPRGKRZSA-N 313.402 -0.829 30 20 DBED COC(=O)[C@H]1[C@H](O)CCCN1C(=O)Cc1noc(C)c1C#N 331290735 PGXHQTHMYCWFHK-DGCLKSJQSA-N 307.306 -0.078 30 20 DBED COCCN1CCN(S(=O)(=O)N(C)C[C@H](C)C#N)CC1=O 336949984 SIVBGEBPBFJUGA-LLVKDONJSA-N 318.399 -0.887 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)NCC1(N2CCOCC2)CC1 337765923 MOBWVBDBKMZZTE-LBPRGKRZSA-N 316.427 -0.080 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H]2CCC[C@H]2OC)C1=O 341618340 XPAXCJTXUXSAJA-WDEREUQCSA-N 323.349 -0.106 30 20 DBED N#Cc1ncn(CCNC(=O)Cn2cc(Br)cn2)n1 342868820 JSUWHKJGTMDEBW-UHFFFAOYSA-N 324.142 -0.075 30 20 DBED COC(=O)CCN1CC[C@@H](NC(=O)N(C)C[C@@H](C)C#N)C1=O 347185335 CWAXEFKEVAODIM-WDEREUQCSA-N 310.354 -0.049 30 20 DBED C=CCOC[C@@H]1NC(=O)N(CCNC(=O)c2cc[nH]n2)C1=O 348594471 NHIFAWGLHDMLIO-JTQLQIEISA-N 307.310 -0.738 30 20 DBED N#Cc1ccc(NCC(=O)N2CCO[C@H](c3ncon3)C2)nc1 353569801 GFADBYRRNYWGDD-NSHDSACASA-N 314.305 0.348 30 20 DBED C=CC[C@H](CO)NC(=O)[C@H]1CC[C@H](C(=O)N2CCOCC2)O1 357646828 CKLNWLOUPUZTQC-JHJVBQTASA-N 312.366 -0.554 30 20 DBED CNC(=O)CC[C@@H]1CCCCN1C(=O)NCC(=O)NCC#N 358318335 WESUZHIIOBHUBB-NSHDSACASA-N 309.370 -0.284 30 20 DBED Cn1cnc2c1c(=O)n(CC(=O)NCC(C)(C)C#N)c(=O)n2C 359635126 LQYDCGKCDYHKKT-UHFFFAOYSA-N 318.337 -0.900 30 20 DBED CC(C)(C)OC(=O)N1CC2(C[C@@H]2C(=O)NCC(=O)NCC#N)C1 367733419 IGIMADDCNXUSTC-SNVBAGLBSA-N 322.365 -0.001 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2C[C@H](C)NC[C@@H]2C)nn1 424547068 OEVCHTQPTIVFFK-QWRGUYRKSA-N 306.370 -0.711 30 20 DBED C#CCN1CCN(C(=O)CSc2n[nH]c(COC)n2)CC1 490819845 KUPZRGNRZGJPEF-UHFFFAOYSA-N 309.395 -0.179 30 20 DBED C#CCNC(=O)CN1CCN([C@@H](C)C(=O)N[C@H](C)CC)CC1 491128131 ZDDQPMVCSJTTAZ-KGLIPLIRSA-N 308.426 -0.343 30 20 DBED C#CCN1CCN(C(=O)CN[C@H](c2nncn2C)C(C)C)CC1 491806413 QLMUGAVVZXHYIL-HNNXBMFYSA-N 318.425 -0.121 30 20 DBED N#Cc1cc(F)ccc1CS(=O)(=O)NC[C@@H](O)C(=O)O 518215995 DHPQVDHQATYLSE-SNVBAGLBSA-N 302.283 -0.438 30 20 DBED CC1(C#N)CN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)C1 558785298 YYJYNFSODGHYAB-UHFFFAOYSA-N 315.376 -0.132 30 20 DBED CCC(=O)N1CCN(C(=O)C(=O)Nc2cccc(C#N)n2)C1 571439281 BEBSUPIOTBFGTF-UHFFFAOYSA-N 301.306 -0.070 30 20 DBED COC[C@@]1(C(=O)O)CCN(S(=O)(=O)N(C)[C@@H](C)CC#N)C1 593271534 IEKKJHFFNRZNIL-CMPLNLGQSA-N 319.383 -0.112 30 20 DBED COCCN(C[C@@H](O)C(F)(F)F)C(=O)Cn1cnc(C#N)n1 594381902 QBIGODSZPMMYOV-MRVPVSSYSA-N 321.259 -0.452 30 20 DBED CCN([C@@H](C)C#N)S(=O)(=O)CCCS(=O)(=O)N(C)C 595358141 SGTXWEHRRWCYOB-JTQLQIEISA-N 311.429 -0.168 30 20 DBED COC(=O)c1ccc(S(=O)(=O)NCC#CCO)cc1F 601456246 GDCCUVQJPMJHNZ-UHFFFAOYSA-N 301.295 -0.114 30 20 DBED CO[C@H]1C[C@@H](NC(=O)C(=O)N2CCN(CCC#N)CC2)C1(C)C 602267913 YVERSXXIBADMGQ-OLZOCXBDSA-N 322.409 -0.026 30 20 DBED C[C@H](Sc1nnnn1C1CC1)C(=O)N1CC(O)(CC#N)C1 619443983 OOAGHEMRULGLGA-QMMMGPOBSA-N 308.367 -0.024 30 20 DBED C=CCCS(=O)(=O)NC[C@@H]1CCC[C@@]12NC(=O)NC2=O 675756585 XVIKJJDNLBXZBI-JOYOIKCWSA-N 301.368 -0.140 30 20 DBED Cc1ccc(F)c2c1NC(=O)C2=NNC(=S)NCC(N)=O 731928381 OKQGTIASZJEAPT-UHFFFAOYSA-N 309.326 -0.260 30 20 DBED C#CCN(C(=O)CCCNC(=O)O)[C@@H]1CCS(=O)(=O)C1 736076683 KKGBYPIYHDGWMX-SNVBAGLBSA-N 302.352 -0.317 30 20 DBED CC#CCCOC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 765487806 HRCFTAKMRPNUFC-UHFFFAOYSA-N 313.335 -0.652 30 20 DBED COCCN1C[C@@H](C(=O)[C@H](C#N)C(=O)c2nccn2C)CC1=O 770730446 NGXMUYLYISLWSM-QWRGUYRKSA-N 318.333 -0.193 30 20 DBED CCN(C[C@@H](C)C#N)C(=O)COC(=O)Cn1cc([C@@H](C)O)nn1 777109211 HDCZMRPWQIFQCI-WDEREUQCSA-N 323.353 -0.117 30 20 DBED COC(=O)c1cn(CC(=O)O[C@@H](C)C(=O)N(C)CCC#N)nn1 786545472 VQBWTZXMGMUAKS-VIFPVBQESA-N 323.309 -0.632 30 20 DBED CNS(=O)(=O)[C@@H]1CCN(S(=O)(=O)CC(C)(C)C#N)C1 790039758 VAQXCOAEGRZZJG-SECBINFHSA-N 309.413 -0.511 30 20 DBED Cn1c(=O)c2nc(COC(=O)CCCC#N)[nH]c2n(C)c1=O 812617385 CFPZAXFPNLAFBB-UHFFFAOYSA-N 305.294 -0.303 30 20 DBED C#CC[C@H](CO)NC(=O)CN(C)S(=O)(=O)c1ccccc1 816671503 ZJMHEGKCFFOSHL-GFCCVEGCSA-N 310.375 -0.193 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CCO[C@H]2C)CC1 831569012 WAKVGVBJRMCXPN-NWDGAFQWSA-N 315.395 -0.977 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CCO[C@H]2C)CC1 831569014 WAKVGVBJRMCXPN-RYUDHWBXSA-N 315.395 -0.977 30 20 DBED C=CCn1cc(C(=O)N2CCN(C(=O)C(=O)OCC)CC2)nn1 843801050 RBUVBYJHLSHVTL-UHFFFAOYSA-N 321.337 -0.688 30 20 DBED CS(=O)(=O)c1cc(C(=O)NCC#CCO)c(Cl)cn1 854357883 LKWPTUIDPHKSBB-UHFFFAOYSA-N 302.739 -0.136 30 20 DBED N#C[C@H](C(=O)CN1CCCCS1(=O)=O)C(=O)N1CCCC1 892457148 DLNYQQGTOOPAMA-LLVKDONJSA-N 313.379 -0.257 30 20 DBED C#CC[C@H](CO)NC(=O)N[C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O 920901843 QXUWIKMFJGMKOK-NQBHXWOUSA-N 319.365 -0.403 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2cn(CC(=O)N(C)C)nn2)C[C@H]1C 939818155 CHCUIBYRIZKUDQ-VXGBXAGGSA-N 318.381 -0.950 30 20 DBED Cn1nnc(C(=O)N2CC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)n1 940095215 NYVRSGGACXHMKG-SECBINFHSA-N 314.309 -0.946 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C2CN([C@@H]3CCN(C)C3=O)C2)CC1 941348823 QSAIKALKUGMRGB-GXTWGEPZSA-N 319.409 -0.795 30 20 DBED C=CCN1CC[C@@H](NC(=O)Cn2ccc(O)nc2=O)[C@@H](C)C1 942313607 KAOOGRZMAQFIMJ-NWDGAFQWSA-N 306.366 -0.039 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCC[C@H](NC(=O)C(N)=O)C1 943487005 KYSRFWJMJFMTOW-XQQFMLRXSA-N 323.393 -0.050 30 20 DBED N#Cc1ccc(C(=O)NC[C@@H]2CCN2C(=O)[C@@H]2CCNC2=O)[nH]1 949448372 BOHDBZUEVJCLLR-WDEREUQCSA-N 315.333 -0.647 30 20 DBED C=CCn1cc(C(=O)N2CCN(CC(=O)N3CCC3)CC2)nn1 951559685 IRONQCDDRPCJJK-UHFFFAOYSA-N 318.381 -0.546 30 20 DBED C#CCN1CC(N(CC)C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1 951746432 VWNJTHSGMBKSRF-UONOGXRCSA-N 307.394 -0.212 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cnc(N(C)C)cn2)C1 958070082 VYVJNBQMIZMGKT-WCQYABFASA-N 303.366 -0.802 30 20 DBED COCc1cncc(C(=O)NC[C@@H]2CN(CC#N)C[C@@H]2O)c1 958156614 JRDVKUOCSKXOFA-KGLIPLIRSA-N 304.350 -0.226 30 20 DBED CC#CCN1C[C@H](O)[C@H](CNC(=O)c2cn(CC3CC3)nn2)C1 958525802 KEIZMOVXKFGVJA-HIFRSBDPSA-N 317.393 -0.266 30 20 DBED N#CCN1C[C@H]2C(NC(=O)c3cnc4sccn4c3=O)[C@@H]2C1 960895423 WVRZAMNCVKKUMC-NXEZZACHSA-N 315.358 -0.060 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2COC3(C2)CN(C(=O)CC)C3)nn1 965714473 ZBLMAVRFMUJLSR-NSHDSACASA-N 319.365 -0.026 30 20 DBED C[C@H](NC(=O)[C@H]1CCc2nnnn2CC1)C1CN(CC#N)C1 970456610 FUTSMQXOVGXKLC-QWRGUYRKSA-N 303.370 -0.414 30 20 DBED CN(C)C(=O)CN1CCO[C@@]2(CCN(C(=O)C#CC3CC3)C2)C1 972377518 HOYLNQLMHIRRME-KRWDZBQOSA-N 319.405 -0.209 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)[C@@H]3CCNC(=O)C3)[C@H]2C1 976353366 VRPLWFCZTPDLFU-YFVNTRNASA-N 304.350 -0.755 30 20 DBED CCn1ncc(C(=O)N[C@H]2[C@@H]3CN(C(=O)[C@@H](C)C#N)C[C@@H]32)n1 976449656 IHFUPEBVJQUZDT-UXCLJVHYSA-N 302.338 -0.356 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)[C@H]3CCC(=O)N3C)[C@H]2C1 977022630 BKQSGCVBLSGLNL-ZTVLKNOQSA-N 304.350 -0.660 30 20 DBED C#CCCN1C[C@H](NC(=O)Cn2nc(C)n(C)c2=O)C(C)(C)C1 977538556 JMCLZPGRRRNSEI-ZDUSSCGKSA-N 319.409 -0.260 30 20 DBED CN1C[C@@H](C(=O)N(C)C[C@H]2CCN2C(=O)C#CC2CC2)CC1=O 977845882 PRTHLIPXFCLHDG-UONOGXRCSA-N 317.389 -0.063 30 20 DBED C#CCN1C[C@H]2C(CNC(=O)c3nc4nccc(C)n4n3)[C@@H]2C1 979032002 XRKHGXDVEFDVBQ-STQMWFEESA-N 310.361 -0.026 30 20 DBED C[C@H]1C[C@@H](CNCc2nc(=O)n(C)[nH]2)CN1C(=O)C#CC1CC1 980575632 QUKFZFFVEYETGD-AAEUAGOBSA-N 317.393 -0.152 30 20 DBED CN1C(=O)CC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)C#CC2CC2)C1 982738152 DCFZHKRCOYQOJE-KBPBESRZSA-N 317.389 -0.015 30 20 DBED C=CCN[C@H]1C[C@@H](C)N(C(=O)c2cn(C)c(=O)n(C)c2=O)C1 989511998 WJMJCTLUGOCHCM-MNOVXSKESA-N 306.366 -0.537 30 20 DBED C[C@H]1C[C@H](NCC#N)CN1C(=O)CN1C(=O)NC(C)(C)C1=O 989752180 KWAYRDWUCVIUGZ-UWVGGRQHSA-N 307.354 -0.581 30 20 DBED Cn1cc(CC(=O)N2CC(NC(=O)c3cc(C#N)c[nH]3)C2)cn1 990696041 PMCDJQLQMGQSKZ-UHFFFAOYSA-N 312.333 -0.197 30 20 DBED C[C@H](C(=O)N1CC(NC(=O)c2cc(C#N)c[nH]2)C1)S(C)(=O)=O 990724022 TXVLPAJFGPEWQW-MRVPVSSYSA-N 324.362 -0.740 30 20 DBED CN1CCC[C@@H]1C(=O)N1CC(NC(=O)c2c[nH]c(C#N)c2)C1 990920054 LATTVRPOOXGHKC-CYBMUJFWSA-N 301.350 -0.079 30 20 DBED Cn1cnn(CC(=O)N[C@]23CCC[C@H]2N(CC#N)CC3)c1=O 991477948 ZDDYTEXYIBVPCM-RISCZKNCSA-N 304.354 -0.781 30 20 DBED C=CCN1CCC[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)[C@@H]1C 993921264 WGMHKYYTBDZOCJ-AAEUAGOBSA-N 320.393 -0.147 30 20 DBED N#Cc1ccc(C(=O)N2CC(NC(=O)C[C@H]3CCC(=O)N3)C2)[nH]1 995386035 ZKBFBQUQOAAARO-SECBINFHSA-N 315.333 -0.504 30 20 DBED Cc1nc2nccc(C(=O)NC3CN(C(=O)[C@H](C)C#N)C3)n2n1 996388630 WWYDZPGZBVGJJX-MRVPVSSYSA-N 313.321 -0.467 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)[C@@H]3COCCO3)C2)nc1 997082045 KDGDMTNYJBFUIW-AWEZNQCLSA-N 315.329 -0.581 30 20 DBED C[C@H](C#N)C(=O)N1CC(CNC(=O)[C@@H]2CCS(=O)(=O)C2)C1 1003183660 WJMLRIWQOGEHDB-MWLCHTKSSA-N 313.379 -0.845 30 20 DBED C=C(Cl)CN1CCC(NC(=O)CN2CC(=O)NC2=O)CC1 1003806549 VGKBFYMPJUHCNJ-UHFFFAOYSA-N 314.773 -0.129 30 20 DBED C[C@@H](C#N)C(=O)N1CC([C@@H](C)NC(=O)c2cn(C)c(=O)cn2)C1 1006571012 VXCCIAGTOIXIGB-VHSXEESVSA-N 317.349 -0.483 30 20 DBED O=C1NCC[C@@H]1C(=O)NCC1[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]12 1009328486 CFMFQDHNHDACIN-UBHSHLNASA-N 315.373 -0.644 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C(=O)c2coc(C(N)=O)c2)CC1 1011614056 VIKMNUNARYDKLH-SECBINFHSA-N 304.306 -0.177 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CN2C(=O)CC(C)(C)C2=O)C1 1014442949 BIRXQJSRAHFYHQ-GFCCVEGCSA-N 305.378 -0.015 30 20 DBED C#CCN1CC[C@@H](NC(=O)[C@H]2COCCN2CC(F)F)C1 1015397566 KMRQKAFKNWAOIQ-VXGBXAGGSA-N 301.337 -0.224 30 20 DBED C#CCCN1CCC2(CC1)C[C@@H]2NC(=O)C[C@@H]1NC(=O)NC1=O 1016665119 WKUDLDJPIMKYTD-RYUDHWBXSA-N 318.377 -0.422 30 20 DBED C[C@H](C#N)C(=O)N1CC=C(CNC(=O)[C@H]2CC(=O)N(C)C2)CC1 1017507757 QQVVWCDDOAFEEW-YPMHNXCESA-N 318.377 -0.101 30 20 DBED C#Cc1ccc(C(=O)NCC2=CCN(C(=O)C(N)=O)CC2)cn1 1017606602 SHDURFLQKNJBCK-UHFFFAOYSA-N 312.329 -0.563 30 20 DBED C[C@@H]1CC[C@@H](NC(=O)Cn2cnnn2)CN1C(=O)C#CC1CC1 1017959426 AFOATMJGVAHWEN-DGCLKSJQSA-N 316.365 -0.418 30 20 DBED C[C@H](C#N)C(=O)N1CCC2(CN(C(=O)C[C@@H]3CCC(=O)N3)C2)C1 1019183822 USJZWNLPBJRAKL-NEPJUHHUSA-N 318.377 -0.124 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](NCc2nc(O)n[nH]2)C1 1019405671 OVFKMGVJPVGKTO-AXFHLTTASA-N 307.354 -0.208 30 20 DBED C=CCN1CC[C@H](N[C@H]2CCN(C(=O)Cc3ncc[nH]3)C2)C1=O 1019566171 VMDHVWQQBGIGFD-STQMWFEESA-N 317.393 -0.070 30 20 DBED N#CCN1[C@H]2CC[C@H]1CC(NC(=O)c1cn(CC(N)=O)nn1)C2 1021470000 QSRJNDDUYOQLOQ-QWRGUYRKSA-N 317.353 -0.988 30 20 DBED CCn1nccc1C(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1023502892 GJJNICJWYQMBJP-TZMCWYRMSA-N 316.361 -0.382 30 20 DBED C=C1CC(C)(C(=O)N2C[C@@H](O)[C@H](NC(=O)Cn3ccnc3)C2)C1 1024414893 UKYYZASURIYMEM-CHWSQXEVSA-N 318.377 -0.073 30 20 DBED C=C1CC(C)(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cnn[nH]3)C2)C1 1024549849 PIPMKFBGJYFFOM-GHMZBOCLSA-N 305.338 -0.538 30 20 DBED C#CCN[C@@H]1CC[C@H]2CN(C(=O)c3nnc(O)nc3O)C[C@H]21 1026304023 IWGAVCNPIPOPPO-IVZWLZJFSA-N 303.322 -0.644 30 20 DBED CN(C(=O)c1c[nH]c(C#N)c1)[C@@H]1CCN([C@H]2CCNC2=O)C1 1033022080 FXFZTTMHXLPNGP-OLZOCXBDSA-N 301.350 -0.079 30 20 DBED C#CCN1CC[C@@H](N(C)C(=O)C2CC3(C2)CS(=O)(=O)C3)C1 1033197878 SSABSDZDLSHIQM-CYBMUJFWSA-N 310.419 -0.023 30 20 DBED CC#CCN1CCCC[C@H](NC(=O)CN2CCC(=O)NC2=O)C1 1034474457 PBCKRVDNBQQNHD-ZDUSSCGKSA-N 320.393 -0.078 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)c2c[nH]nc2[C@H]2CCOC2)C1 1035462277 YAKLRUCHEDTVBC-STQMWFEESA-N 318.377 -0.023 30 20 DBED C#CCCN1CC[C@@H]2CN(C(=O)c3nnc(O)nc3O)CC[C@@H]21 1036762920 RTBHZQXSVOCIEZ-MNOVXSKESA-N 317.349 -0.158 30 20 DBED N#Cc1ccccc1CN1CC[C@@H]1CNC(=O)[C@H]1CNC(=O)N1 1038655250 VYNNTXIILSMHAV-ZIAGYGMSSA-N 313.361 -0.070 30 20 DBED C=C(Cl)CN1CC[C@@H]1CNC(=O)[C@H]1CCS(=O)(=O)N1 1039022929 GOQYVTWLOKXHKS-NXEZZACHSA-N 307.803 -0.379 30 20 DBED C#CCCCC(=O)NC[C@@]1(O)CCN(C(=O)c2ncc[nH]2)C1 1039572570 ABZFPKPXGMVUSR-HNNXBMFYSA-N 304.350 -0.094 30 20 DBED C#CCOCCC(=O)N1CC[C@@](O)(CNC(=O)[C@H]2CCCO2)C1 1040107894 PGJWPMHIKMKZLG-CZUORRHYSA-N 324.377 -0.715 30 20 DBED CC#CCN1CC[C@@]2(CCN(C(=O)c3nnc(O)nc3O)C2)C1 1041443837 XAOLVHHYYYEMJQ-OAHLLOKOSA-N 317.349 -0.156 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)COCC2CC2)C1 1041649683 XSWNQRHJXUAQPW-GFCCVEGCSA-N 324.377 -0.859 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)[C@]2(C)CCNC2=O)C1 1041963569 TYBGEWBORYBEOW-CQSZACIVSA-N 309.366 -0.832 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)C[C@H]2CCOC2)C1 1042236844 QBDRVWKOIJCNTI-GFCCVEGCSA-N 312.366 -0.695 30 20 DBED Cc1ncoc1C(=O)NCC1(O)CN(C(=O)C#CC(C)C)C1 1042364884 YYQGGLUOJCNABR-UHFFFAOYSA-N 305.334 -0.054 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)C2CC(C)C2)C1 1042468737 PDNCCLHABFDWOI-CPCZMJQVSA-N 308.378 -0.240 30 20 DBED C#CCCCCC(=O)NCC1(O)CN(C(=O)[C@H](C)CC(N)=O)C1 1042661195 OWVHSPWPFGXCLE-GFCCVEGCSA-N 323.393 -0.619 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)c2n[nH]cc2C)C1 1042802931 PEQIIEWLUNKUGM-UHFFFAOYSA-N 304.350 -0.175 30 20 DBED C=CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042964562 JLILPIRPZNIWHQ-GFCCVEGCSA-N 306.362 -0.320 30 20 DBED CN1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)C#CC(C)(C)C)C1 1042965612 DNUHYVKVPXWJRT-ZDUSSCGKSA-N 321.421 -0.180 30 20 DBED Cc1ncsc1C(=O)N1CC(O)(CNC(=O)[C@@H](C)C#N)C1 1045541296 SNDZWMXMRMFBEX-QMMMGPOBSA-N 308.363 -0.086 30 20 DBED C#CCN1CC[C@](C)(NC(=O)[C@H]2CCc3nnc(O)n3C2)C1 1046432850 WZVHHESGOWXWNQ-NHYWBVRUSA-N 303.366 -0.240 30 20 DBED C=CCn1cc(C(=O)N(C)[C@H]2CN(CCCF)C[C@@H]2O)nn1 1047553937 FHCIYGFNDQGXCB-STQMWFEESA-N 311.361 -0.059 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)C(C)(C)N2CCOCC2)C1 1047565574 LAQNEFUTRIGSLH-GJZGRUSLSA-N 323.437 -0.376 30 20 DBED C=C(C)CCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2ncn(C)n2)C1 1048785851 SJKZRMQSEVBDBH-RYUDHWBXSA-N 321.381 -0.185 30 20 DBED C#CCN1C[C@H]2CN(C(=O)C[C@@H]3CCS(=O)(=O)C3)C[C@H]2C1 1048923883 IPKFBBNHPIEBEN-MELADBBJSA-N 310.419 -0.165 30 20 DBED C=CCCOCC(=O)N(C)[C@H]1CN(C(=O)COC)C[C@@H]1O 1049007558 MDDHAWYILPAZLR-RYUDHWBXSA-N 300.355 -0.744 30 20 DBED C=C(C)CCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cnn[nH]2)C1 1049061023 HDXGNHDZIYSDTB-RYUDHWBXSA-N 307.354 -0.195 30 20 DBED C[C@@H]1[C@@H](NC(=O)c2cnn(C)n2)CCN1c1cnc(C#N)cn1 1050426612 LXAWDWMGDDZOOA-KOLCDFICSA-N 312.337 -0.126 30 20 DBED C=CCOCC(=O)N[C@@H](C)[C@@H]1CCN(C(=O)Cn2nccn2)C1 1050837673 YVOOFPVELDNDPS-QWHCGFSZSA-N 321.381 -0.166 30 20 DBED CC(=O)Nc1cccnc1C(=O)NC[C@@H]1COCCN1CC#N 1050950030 TYZPJHZLANGHNU-GFCCVEGCSA-N 317.349 -0.006 30 20 DBED N#CCN1CCOC[C@@H]1CNC(=O)[C@H]1CCCCS1(=O)=O 1050953631 IYQDXAVRLAAHMY-NWDGAFQWSA-N 315.395 -0.706 30 20 DBED C=C(C)CN1CCC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)CC1 1052393532 NTTHBOLAMVWRTI-GFCCVEGCSA-N 320.397 -0.076 30 20 DBED C#CCN1CC2(CC[C@@H](CNC(=O)c3cnnc(O)c3)O2)C1 1053613986 DNDXGUZHWORLNG-LBPRGKRZSA-N 302.334 -0.221 30 20 DBED C#CCCN1CC2(CC[C@@H](CNC(=O)[C@H]3CCN(C)C3=O)O2)C1 1053642974 QPMQODAUWVEYNF-UONOGXRCSA-N 319.405 -0.162 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)c3cn(CC4CC4)nn3)CO2)C1 1053969852 ZIANCLNXWCTGRN-ZDUSSCGKSA-N 315.377 -0.106 30 20 DBED COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCN(c2cncc(C#N)n2)CC1 1055734881 FTAKCVBNYQZVBI-NWDGAFQWSA-N 315.333 -0.194 30 20 DBED Cn1ccc(CC(=O)N2CCN(c3ccc(C#N)nn3)CC2)n1 1055800719 SBGYIXIJXSYCGN-UHFFFAOYSA-N 311.349 -0.027 30 20 DBED C=C(C)C(C)(C)C(=O)N1CCC[C@@](CO)(NC(=O)C(N)=O)C1 1056090230 ZHSPMVKSDUWRTE-OAHLLOKOSA-N 311.382 -0.456 30 20 DBED N#Cc1cncc(N2C[C@H]3C(NC(=O)Cc4ncc[nH]4)[C@@H]3C2)n1 1056275865 JVHVCRKCXFLZQL-GHMZBOCLSA-N 309.333 -0.135 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC[C@H]2[C@H]1CCN2C(=O)C(N)=O 1056401455 GTXQWLMMZQUJNH-GRYCIOLGSA-N 307.350 -0.898 30 20 DBED CN(c1nccnc1C#N)[C@@H]1CCN(C(=O)Cn2cncn2)C1 1056919584 ALYUNZNVMIQLCO-LLVKDONJSA-N 312.337 -0.323 30 20 DBED N#Cc1cncc(N2CCCN(C(=O)[C@H]3COC(=O)N3)CC2)n1 1057132502 OCMSPZVEPVYRFV-LLVKDONJSA-N 316.321 -0.505 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)Cc1ccnn1C 1057193656 NMQIYICVZPURCQ-UHFFFAOYSA-N 324.381 -0.898 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)c1cnccn1 1057199267 NARZZYCIHXTPNJ-UHFFFAOYSA-N 308.338 -0.770 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)c1cncnc1 1057406279 FJSGCYVZPVDZCE-UHFFFAOYSA-N 304.350 -0.169 30 20 DBED N#Cc1nc(=NCC2CCN(C(=O)c3cnn[nH]3)CC2)cc[nH]1 1057552983 UVWWPVQCTIGTNT-UHFFFAOYSA-N 312.337 -0.147 30 20 DBED C=CCCCC(=O)NCCN(CCO)C(=O)CNC(=O)NC 1057855843 QMRVCNNRNDFCOG-UHFFFAOYSA-N 314.386 -0.791 30 20 DBED CN(CC(=O)N(CCO)CCNC(=O)C#CC1CC1)C1CCC1 1057903420 JFAGKXYHUKVMPD-UHFFFAOYSA-N 321.421 -0.179 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)[C@@H]1CO[C@@H](C)C1 1057948492 HUMBGZBCNSFKGP-STQMWFEESA-N 314.382 -0.449 30 20 DBED N#Cc1nccc(N2CC[C@@H](NC(=O)C3CS(=O)(=O)C3)C2)n1 1058456541 QJJYCGZKDVDCMG-SNVBAGLBSA-N 321.362 -0.912 30 20 DBED C=C[C@@H](CC)CC(=O)N(CCO)CCNC(=O)Cc1nc[nH]n1 1058468613 MVWDOGPKBBWVMM-LBPRGKRZSA-N 323.397 -0.113 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)CCc1ncc[nH]1 1058653154 NUCHGUGXZNWBNE-NSHDSACASA-N 307.354 -0.561 30 20 DBED N#Cc1nccnc1N[C@H]1C[C@H](NC(=O)[C@@H]2CCNC2=O)C1 1059364858 NDPGDDBPZNWYDV-OPRDCNLKSA-N 300.322 -0.457 30 20 DBED C[C@@]1(C(=O)N[C@H]2C[C@@H](N=c3cc[nH]cc3C#N)C2)CNC(=O)C1 1059773297 IHUXFZUEVQWLNL-OZVIIMIRSA-N 313.361 -0.040 30 20 DBED N#Cc1nc(=NC[C@@H]2CCN(C(=O)c3nccnc3N)C2)cc[nH]1 1060831849 LGZVPHCQMHKUOM-JTQLQIEISA-N 324.348 -0.283 30 20 DBED Cc1nn[nH]c1C(=O)N1CC[C@H](CN=c2cc[nH]c(C#N)n2)C1 1060957197 JFZZUADTIVNAND-SNVBAGLBSA-N 312.337 -0.229 30 20 DBED N#Cc1cnccc1N1CCC[C@@H]1CNC(=O)[C@H]1CNC(=O)N1 1061440396 DVNKGRUHEMKSQM-VXGBXAGGSA-N 314.349 -0.280 30 20 DBED CC(C)C#CC(=O)N1CCOC[C@H]1CNC(=O)Cc1cc[nH]n1 1061457682 KCJYUHCEFKVQBT-CQSZACIVSA-N 318.377 -0.045 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)CCc1cnc[nH]1 1061852899 NUGZREBTQQJAPE-YPMHNXCESA-N 319.365 -0.154 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CCCCN1C(=O)CN1CCOCC1 1062135972 CNPJZOWRLOIKBV-UONOGXRCSA-N 322.409 -0.024 30 20 DBED C=CCOCC(=O)NCC1(NC(=O)CCn2cnnn2)CCC1 1062702713 AWXQMFOSAJUEJJ-UHFFFAOYSA-N 322.369 -0.579 30 20 DBED CN(C(=O)c1cnnn1C)[C@@H]1CCN(c2ccnc(C#N)n2)C1 1062929065 XMIYIBHBPAUQAZ-SNVBAGLBSA-N 312.337 -0.172 30 20 DBED N#Cc1cnc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)c2cc[n+]([O-])cc2)cn1 1064216328 LMAIZQFTOWDGJQ-OSAQELSMSA-N 322.328 -0.011 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H]1CN(C(=O)COCC=C)CCO1 1064972273 STSXEDIRKAROBX-UONOGXRCSA-N 324.377 -0.429 30 20 DBED C=CC(C)(C)C(=O)NC[C@H]1CN(C(=O)c2cnn(C)n2)CCO1 1065347514 QSHZONQUNBDIHM-NSHDSACASA-N 321.381 -0.016 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)[C@@H](C)CC(N)=O)CCO1 1065419531 BWFAEUVYUVURCD-RYUDHWBXSA-N 311.382 -0.192 30 20 DBED C[C@@H]1CN(C(=O)Cn2cncn2)C[C@@H]1N=c1cc[nH]c(C#N)n1 1067098852 QSADQUJEFDZSIM-MNOVXSKESA-N 312.337 -0.679 30 20 DBED N#Cc1cccnc1N1C[C@@H](O)[C@@H](CNC(=O)c2cnccn2)C1 1067645275 LBFKIJRVEDDKPH-GXTWGEPZSA-N 324.344 -0.030 30 20 DBED N#Cc1ccc(N2C[C@H](CNC(=O)c3cn[nH]c3)[C@@H](O)C2)nc1 1067652021 SYKRQFPHTASLEX-STQMWFEESA-N 312.333 -0.097 30 20 DBED C=CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2cnn[nH]2)C1 1069965709 BHGULQAPBGNTJN-NEPJUHHUSA-N 302.342 -0.372 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](n2ccnn2)[C@H](NCC#N)C1 1070277890 DANHTUKFCHGULE-MQYQWHSLSA-N 316.365 -0.266 30 20 DBED N#Cc1c[nH]c(C(=O)N2CCC[C@@H](NC(=O)CNC(N)=O)C2)c1 1070597700 WTRKBZOUBCYUQL-SNVBAGLBSA-N 318.337 -0.725 30 20 DBED C=CCOCC(=O)N[C@@H]1CCCN(C(=O)[C@H]2CCN(C)C2=O)C1 1071122716 BNZVRTATRCVZEM-OLZOCXBDSA-N 323.393 -0.226 30 20 DBED CC#CCN1CC[C@]2(C1)CN(C(=O)Cn1cncn1)C[C@H](C)O2 1071239306 ZWYFLZLZXPRIQO-HOCLYGCPSA-N 317.393 -0.007 30 20 DBED C=CCOCC(=O)N1C[C@@H](NC(=O)CC(=O)NCC)[C@H](C)C1 1071808694 KLLFKCYVMYOXJZ-VXGBXAGGSA-N 311.382 -0.322 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1C 1072542961 DXPFVDRPNRCSCQ-GHMZBOCLSA-N 304.354 -0.410 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(C(=O)CCn2cnnn2)C[C@@H]1C 1072600165 QXAUXZRCHRJVBG-QWHCGFSZSA-N 318.381 -0.314 30 20 DBED C#CCOCCC(=O)N1CC[C@H](NC(=O)c2nc[nH]n2)C[C@@H]1C 1075101945 OZTGONDZGBTIPC-RYUDHWBXSA-N 319.365 -0.046 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)[C@@]2(C)CCNC(=O)C2)C1 1077222454 MCZUNVIGHUSSDG-GYSYKLTISA-N 315.801 -0.184 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2c[nH]nc2-c2ccncc2)C1 1077297890 BTGIUYPZWBOEFR-ZIAGYGMSSA-N 311.345 -0.120 30 20 DBED COc1cc(C(=O)N[C@@H]2CN(CC#N)C[C@H]2O)cc(OC)n1 1077304407 GMOMNTASMIJXJA-GHMZBOCLSA-N 306.322 -0.603 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)Cn2nnnc2C(C)C)C1 1077804758 PQFKGNPFBKISLB-VXGBXAGGSA-N 308.386 -0.466 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCCCN2C(C)=O)C1 1077825276 MJUGWGFAOQWVBC-ARFHVFGLSA-N 321.421 -0.038 30 20 DBED C[C@@H](CCNC(=O)[C@@H](C)C#N)NC(=O)c1cc(C(N)=O)c[nH]1 1078136168 GDQJTJDUWNNEBX-IUCAKERBSA-N 305.338 -0.102 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)c2nccnc2C(N)=O)C1 1078150702 MIKXBVAKCSFVKK-GHMZBOCLSA-N 319.365 -0.683 30 20 DBED C=CCN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)CN1CCNC(=O)C1)C2 1079012992 RULXHDVUYQTTMA-MGPQQGTHSA-N 306.410 -0.427 30 20 DBED CC#CCN1C[C@@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)[C@H](C)C1 1080725091 BKQVGWVYDYAARU-VXGBXAGGSA-N 320.393 -0.223 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CO)(NC(=O)CC(C)(C)O)CC1 1080837127 MZQZIUVQJXHUBC-NSHDSACASA-N 311.382 -0.223 30 20 DBED C#CCCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cnn(C)c2)C1 1081247486 DPPLNPSPMPLDRO-GXTWGEPZSA-N 318.377 -0.227 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)c2cccnn2)C[C@H]1O 1081334769 CICMOUXBYPXEDP-WCQYABFASA-N 304.350 -0.008 30 20 DBED C=CC(C)(C)CC(=O)NC[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1O 1081516759 IXVAKOQXTBAWAT-GHMZBOCLSA-N 321.381 -0.044 30 20 DBED C#CCCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2ccncn2)C1 1081679075 FVNWCZKLXSUVRQ-GXTWGEPZSA-N 316.361 -0.171 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)C[C@H]1CCC(=O)N1C 1083161899 ZCXAAGFNZLQTAI-QLFBSQMISA-N 319.405 -0.068 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)c2cn3c(n2)COCC3)C1 1083569639 DFSWYVLBFZCYPD-YPMHNXCESA-N 304.350 -0.789 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCCc3nn[nH]c32)C1 1083734464 GYMTVEHAWZWOBL-UHTWSYAYSA-N 303.366 -0.591 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)c2cnn3c(=O)cc[nH]c23)C1 1083841486 YYMYBHRZNXFKRU-NEPJUHHUSA-N 317.349 -0.626 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)c2cn([C@H]3CCOC3)nn2)C1 1083929855 OCKCSYOZXKTGHE-SCRDCRAPSA-N 319.365 -0.962 30 20 DBED C#CCOc1ncccc1C(=O)N(C)C[C@H]1CCN1CC(N)=O 1085931662 FFLVULABDVFCQU-GFCCVEGCSA-N 316.361 -0.275 30 20 DBED C[C@H]1[C@@H](N=c2cc[nH]c(C#N)n2)CCN1C(=O)CCCC(N)=O 1090221792 GZDNBQVVIQBCPT-QWRGUYRKSA-N 316.365 -0.173 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2nnn(C(C)(C)C)n2)[C@@H](O)C1 1090278581 DVYARYBNNVCFRW-RYUDHWBXSA-N 320.397 -0.384 30 20 DBED C=CCN1CC[C@H](NC(=O)c2cc(C)c(C(N)=O)cn2)[C@@H](O)C1 1090574708 WIODEHXEXXUFHH-JSGCOSHPSA-N 318.377 -0.160 30 20 DBED N#CCN1CC[C@H](NC(=O)c2cc3c(nc2O)CCC3)[C@H](O)C1 1090811840 BAOWHUGVDNNXJA-UONOGXRCSA-N 316.361 -0.036 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2cc(C(N)=O)cs2)[C@@H](O)C1 1090834563 WZDDEAMIZIFFCW-ZJUUUORDSA-N 308.363 -0.464 30 20 DBED C[C@H](CC(N)=O)C(=O)NC[C@H]1C[C@@H](N=c2cc[nH]c(C#N)n2)C1 1091391776 MBNIEBBFYRBPOO-MXWKQRLJSA-N 316.365 -0.412 30 20 DBED C=CCN1C[C@@H]2CN(C(=O)CN3CC(=O)NC3=O)C[C@]2(C)C1 1092106579 HULHQDCKVQDOGP-ABAIWWIYSA-N 306.366 -0.496 30 20 DBED C#CCN1CC(n2cc(CNC(=O)c3cc(C)n(C)n3)nn2)C1 1094278373 DWSINJDLBWXOPE-UHFFFAOYSA-N 313.365 -0.260 30 20 DBED CN(C)CCOCC(=O)NCCCNc1nccnc1C#N 1094503124 QJSVHRCOQOIKRR-UHFFFAOYSA-N 306.370 -0.155 30 20 DBED C#CCN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN1CC(=O)NC1=O)C2 1095015785 VJIJMQCALHVQFC-SRVKXCTJSA-N 304.350 -0.860 30 20 DBED CS(=O)(=O)CC(=O)NC1CCN(c2cncc(C#N)n2)CC1 1095405528 PFCIHTWMKDLRHS-UHFFFAOYSA-N 323.378 -0.522 30 20 DBED N#Cc1ccc(N2CCN(CCNC(=O)C3CC3)CC2)nn1 1096260526 GDXGFBFWBAZEMB-UHFFFAOYSA-N 300.366 -0.004 30 20 DBED N#Cc1cnc(N2CCC3(CC2)C[C@@H]3NC(=O)CC(N)=O)cn1 1096507160 KHYZPBDKSNYDFX-NSHDSACASA-N 314.349 -0.301 30 20 DBED N#Cc1nc(=N[C@@H](CNC(=O)[C@H]2COC(=O)N2)C2CC2)cc[nH]1 1096660730 YYHRRRUTWIZAOM-VHSXEESVSA-N 316.321 -0.815 30 20 DBED COC(=O)NCC(=O)N[C@H]1C[C@@H](Nc2nccnc2C#N)C1 1097148536 YVUGCPDDPKZKIQ-DTORHVGOSA-N 304.310 -0.237 30 20 DBED C[C@H](CNC(=O)C[C@@H]1CC(=O)NC1=O)Nc1ccc(C#N)cn1 1097945572 QLALEPQNMANFNM-MWLCHTKSSA-N 315.333 -0.077 30 20 DBED C[C@H](CNC(=O)[C@@H]1CCN(C)C(=O)C1)N=c1cc[nH]c(C#N)n1 1098386008 SBIOHFCYRYWKDO-GHMZBOCLSA-N 316.365 -0.445 30 20 DBED C[C@H](CNC(=O)c1nnc(O)nc1O)Nc1ccc(C#N)nc1 1098435831 SMAJYMRRJLEHJC-SSDOTTSWSA-N 315.293 -0.220 30 20 DBED N#CCNC(=O)CN1CC[C@H](NC(=O)C2CCCC2)[C@@H](O)C1 1099611404 QISJNOHQBMVMKD-STQMWFEESA-N 308.382 -0.632 30 20 DBED C=CCN1CC[C@@H](NC(=O)CNC(=O)N2CCCC2)[C@@H](O)C1 1099828953 BDMYPYIAGPKNEU-OLZOCXBDSA-N 310.398 -0.471 30 20 DBED N#Cc1cnc(N2CCC[C@H]2CCCNC(=O)C(N)=O)cn1 1099876074 UMUBXFMSODYFFN-LLVKDONJSA-N 302.338 -0.301 30 20 DBED Cc1cn(C)nc1C(=O)NCC1CC(NCC(=O)NCC#N)C1 1100312283 IANKNEVKOKTORX-UHFFFAOYSA-N 318.381 -0.534 30 20 DBED CN(CCNC(=O)CN1CCCCC1=O)c1ccnc(C#N)n1 1100401498 BSUARJWLMJOYKG-UHFFFAOYSA-N 316.365 -0.087 30 20 DBED Cc1cnn(C)c1C(=O)NCC1CC(NCC(=O)NCC#N)C1 1100578009 CRJCCIYHJPAQRW-UHFFFAOYSA-N 318.381 -0.534 30 20 DBED CCN(CCNC(=O)[C@@H](COC)OC)c1ccnc(C#N)n1 1100712456 UFEMVFQAIIQGSN-LLVKDONJSA-N 307.354 -0.048 30 20 DBED N#Cc1nccc(N2CCC[C@@H]2CNC(=O)Cn2nccn2)n1 1100871940 JXYJBMXAAUEMRM-LLVKDONJSA-N 312.337 -0.275 30 20 DBED CC[C@@H](CNC(=O)[C@H](C)n1cncn1)N=c1cc[nH]c(C#N)n1 1103034733 NHMQKPDMKAOUGE-QWRGUYRKSA-N 314.353 -0.070 30 20 DBED CC[C@@H](CNC(=O)[C@]1(C)CCNC1=O)N=c1cc[nH]c(C#N)n1 1103322749 FGAHTJXNFGRALO-ZUZCIYMTSA-N 316.365 -0.397 30 20 DBED COCCC(=O)NC[C@@H]1CN(c2cncc(C#N)n2)CCO1 1104284770 NGYIEBLGDQMKCA-GFCCVEGCSA-N 305.338 -0.294 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)c1cncnc1O 1104717388 XKGBWSYWKRYMFF-SECBINFHSA-N 313.321 -0.162 30 20 DBED CC(=O)NCC(=O)N1CC[C@H](N=c2cc[nH]c(C#N)n2)[C@@H](C)C1 1105026827 XAPQENSDJDWSND-JQWIXIFHSA-N 316.365 -0.445 30 20 DBED C=CCNCc1cn(C2CN(C(=O)[C@H]3CN(C)CCO3)C2)nn1 1105199923 ONVDHZCPIQHJBC-CQSZACIVSA-N 320.397 -0.732 30 20 DBED CN(CCN(C)c1ccc(C#N)nc1)C(=O)Cn1cnnc1O 1105387712 FOZFLSUHXOZVHK-UHFFFAOYSA-N 315.337 -0.155 30 20 DBED Cc1ncc(C(=O)NC[C@@H](O)CN=c2cc[nH]c(C#N)n2)[nH]1 1105750157 HRTJGJYGGWHLSY-VIFPVBQESA-N 301.310 -0.996 30 20 DBED CCO[C@@H](C)C(=O)NC[C@@H](O)CNc1nc(C)cc(C#N)n1 1105768797 AAYDKEJQVQVWBZ-CMPLNLGQSA-N 307.354 -0.029 30 20 DBED CCn1ccnc1C(=O)NC[C@@H](O)CNc1cncc(C#N)n1 1105803388 ZHPXTWZGCVZMLW-NSHDSACASA-N 315.337 -0.233 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H](O)CNC(=O)CC1(O)CCC1 1105810396 SFFMTXDDRJBVGC-GFCCVEGCSA-N 304.350 -0.431 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H](O)CNC(=O)[C@H]1CCCCO1 1105819879 NFNWUPLTMZCDFK-TZMCWYRMSA-N 304.350 -0.167 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](O)CNC(=O)CCN(C)C)n1 1106085115 NYDMNJLRIWLGPL-LBPRGKRZSA-N 306.370 -0.503 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)CCc2cnn[nH]2)cn1 1106123789 RSEDIPMHRWZSHS-CYBMUJFWSA-N 315.337 -0.407 30 20 DBED CC(=O)N(C)CC(=O)N[C@H](C)CCN=c1cc[nH]c(C#N)n1 1106231233 VZPDDFLGSSLIMP-SNVBAGLBSA-N 304.354 -0.445 30 20 DBED C[C@@H]1CN(C(=O)Cc2cnoc2)C[C@H]1CNCC(=O)NCC#N 1106571689 QUFXWJFAQCEXIX-DGCLKSJQSA-N 319.365 -0.459 30 20 DBED C[C@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)[C@H]1CC(=O)N(C)C1 1106613541 JIQILMSBPGCNKC-MNOVXSKESA-N 316.365 -0.445 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)[C@]2(C)CCC(=O)N2)C[C@H]1C 1106635872 IKUNXRPSNDUNHZ-CPUCHLNUSA-N 321.421 -0.011 30 20 DBED N#Cc1c[nH]ccc1=NC/C=C/CNC(=O)Cn1cnnc1O 1107134128 RPFAAVGQYWGGQD-OWOJBTEDSA-N 313.321 -0.543 30 20 DBED CC#CCN1CC(n2cc(CNC(=O)CC(=O)NCC)nn2)C1 1107162528 NZGULSGXPGSQBV-UHFFFAOYSA-N 318.381 -0.700 30 20 DBED COCC#CCN1CCO[C@](C)(CNC(=O)c2cn(C)nn2)C1 1107918112 DXVPWMUAYYFNOO-OAHLLOKOSA-N 321.381 -0.714 30 20 DBED CCO[C@@H](C)C(=O)N1CCN(CC#N)[C@H]2CS(=O)(=O)C[C@H]21 1108460384 XHNGVCWCNUFRTH-SDDRHHMPSA-N 315.395 -0.755 30 20 DBED C=CCC[C@@H](C)N1CC(N2C[C@@H](NC(=O)CC(N)=O)CC2=O)C1 1108524792 CKFJSXKBYALYQM-NEPJUHHUSA-N 322.409 -0.382 30 20 DBED COCC#CCN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1cnnn1)C2 1108610136 FGCUBBKZPVGEQN-MJBXVCDLSA-N 318.381 -0.708 30 20 DBED C[C@@H](CN(C)c1ccc(C#N)nn1)NC(=O)[C@@H](C)CC(N)=O 1109205306 KMTXYTBZDDPBHX-UWVGGRQHSA-N 304.354 -0.199 30 20 DBED Cc1cc(C#N)nc(NC2(CNC(=O)CNC(N)=O)CC2)n1 1110043522 SMPKHVWSAXVFRZ-UHFFFAOYSA-N 303.326 -0.614 30 20 DBED N#Cc1nc(=NC[C@@H]2CCCN2C(=O)CCNC(N)=O)cc[nH]1 1110544627 XXAXYNLAYYJBMZ-JTQLQIEISA-N 317.353 -0.769 30 20 DBED CC(C)[C@@H](O)C(=O)N(C)[C@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1111181390 UCIRMRVLXAMHQO-SGMGOOAPSA-N 319.365 -0.627 30 20 DBED N#Cc1ccc(NCCN(CCO)C(=O)c2cn[nH]c2)nn1 1111444287 WUCUQSQLFZMMER-UHFFFAOYSA-N 301.310 -0.382 30 20 DBED N#Cc1nccnc1NCCN(CCO)C(=O)[C@@]12COC[C@@H]1C2 1111577436 CAGXUTVWVNKPHK-NHYWBVRUSA-N 317.349 -0.382 30 20 DBED C=CCOCC(=O)N1CCO[C@@H](CN=c2cc[nH]c(C#N)n2)C1 1111946596 DSPGWMNQYRLXFP-LBPRGKRZSA-N 317.349 -0.388 30 20 DBED CNC(=O)NCC(=O)N1C[C@H](C)[C@H](Nc2cncc(C#N)n2)C1 1112340612 OULBMPQTJUBREE-GXSJLCMTSA-N 317.353 -0.464 30 20 DBED CCS(=O)(=O)NCCCN1CCN(C(=O)[C@@H](C)C#N)CC1 1112710825 IXRQTAZFDRYRKT-LBPRGKRZSA-N 316.427 -0.380 30 20 DBED C[C@H](NC(=O)COCCN(C)C)[C@@H](C)N=c1cc[nH]c(C#N)n1 1113096259 IZPVXVXWTFPULB-NEPJUHHUSA-N 320.397 -0.347 30 20 DBED CC(=O)N[C@@H](C)C(=O)NC[C@H](C)N(C)c1ccnc(C#N)n1 1113508643 KZPXYWUANILAES-UWVGGRQHSA-N 304.354 -0.186 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CN(c2cncc(C#N)n2)CC[C@@H]1C 1113995162 YJPYILWSKPABLM-GXFFZTMASA-N 316.365 -0.185 30 20 DBED CCNC(=O)NC(=O)CN1C[C@H]2[C@H](NC(=O)[C@H](C)C#N)[C@H]2C1 1114066631 GBIZBSSOOBUNNU-SVDPJWKOSA-N 307.354 -0.962 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)C[C@H](C)SC)[C@H]2C1 1114149161 PULFRILKSMFKGA-UUIJZJDISA-N 309.435 -0.076 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)CO[C@H](C)CC)[C@@H]2C1 1114153093 IWSJFPGTYPTJHS-JHJVBQTASA-N 307.394 -0.403 30 20 DBED C#CCCCCC(=O)N[C@H]1[C@@H]2CN(Cc3nc(=O)n(C)[nH]3)C[C@@H]21 1114160475 YUCMTHVXMCREPA-JYAVWHMHSA-N 317.393 -0.152 30 20 DBED Cc1cc(=NC[C@H](C2CC2)N(C)C(=O)C(N)=O)c(C#N)c[nH]1 1115566207 INAXXARIVRUAHZ-CYBMUJFWSA-N 301.350 -0.182 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CCC(Cn2ccnn2)CC1 1117583110 XOBUWTWUHHJMRF-CYBMUJFWSA-N 321.381 -0.166 30 20 DBED C=CCC1(O)CCN(C(=O)C(=O)N[C@H]2C[C@H](C(=O)OC)C2)CC1 1119500427 HDFJXJYHMQEMKZ-HAQNSBGRSA-N 324.377 -0.016 30 20 DBED CN(C)CCCCC(=O)NC[C@@H](CO)Nc1ccc(C#N)nn1 1121848041 UGZQLTJMNMCOOI-ZDUSSCGKSA-N 320.397 -0.031 30 20 DBED CCn1cc(C(=O)NC[C@H](CO)Nc2ncccc2C#N)nn1 1121928061 LKSINENYEHKOTL-LLVKDONJSA-N 315.337 -0.233 30 20 DBED Cc1cncn1CC(=O)NC[C@H](CO)Nc1cncc(C#N)n1 1122240148 TUEVSARZISFIHM-GFCCVEGCSA-N 315.337 -0.558 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]cc1C#N)C(=O)CC(C)(C)O 1124290795 VEZLFSUFFNXLAP-LBPRGKRZSA-N 306.366 -0.233 30 20 DBED CN(C[C@@H](O)CNc1ccc(C#N)cn1)C(=O)[C@H]1CCNC1=O 1124693299 DDAYEVZWWITGNF-RYUDHWBXSA-N 317.349 -0.679 30 20 DBED C=CCNC(=O)CNCCNC(=O)C[C@@H](C)N1CCCCC1=O 1127163672 ZQBGUZZMSFCNCJ-CYBMUJFWSA-N 324.425 -0.215 30 20 DBED COCC#CCNCCNC(=O)c1cnn(CCOC)c1C 1127216812 IKAUUMXUZBPIQN-UHFFFAOYSA-N 308.382 -0.193 30 20 DBED CCc1nc(C#N)cc(N2CC=C(CNC(=O)C(N)=O)CC2)n1 1127769478 RBHYNUKPDCZAQA-UHFFFAOYSA-N 314.349 -0.351 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)CSCC#N)C1 1128724193 UNNQMHPNKJZVPL-NEPJUHHUSA-N 304.379 -0.490 30 20 DBED CN(C)CCCCC(=O)N1C[C@H](n2ccnn2)[C@H](NCC#N)C1 1130096287 CRQBEWOHJWPSJD-KGLIPLIRSA-N 319.413 -0.125 30 20 DBED C#CCN[C@@H]1CN(C(=O)CNC(C)=O)C[C@H]1c1cncn1C 1130895731 IZYMKFIPYGKCNZ-CHWSQXEVSA-N 303.366 -0.927 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)[C@@H]1CCC(=O)N1C 1132531925 VRIJHTWTVUOSCE-ZDUSSCGKSA-N 322.409 -0.486 30 20 DBED C[C@H]1CCN(C(=O)CN2CCCNC2=O)C[C@H]1CNCC#N 1132950789 QRCZSTDFPVVDQQ-QWHCGFSZSA-N 307.398 -0.001 30 20 DBED O=C1NC[C@@H](C(=O)NCCNCC#Cc2ccc(F)cc2)N1 1133129224 WODDVOVVKPKHTO-ZDUSSCGKSA-N 304.325 -0.436 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)C[C@@H](C)NCC(=O)NC(C)C 1134131382 VMSLIJONZACIGA-CHWSQXEVSA-N 324.425 -0.477 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)CCCS(C)(=O)=O 1135209525 QIBPLSXWZAXLHF-LLVKDONJSA-N 319.427 -0.792 30 20 DBED C=C(C)CN(CC)C(=O)CNCCNC(=O)C[C@@H]1CCC(=O)N1 1135219683 SNICJWPKYKIAKE-ZDUSSCGKSA-N 324.425 -0.215 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)c1ccc(=O)n(CC)n1 1135486135 YHZJHQJSRPVZQK-NSHDSACASA-N 321.381 -0.727 30 20 DBED CC#CCN[C@H](C)C[C@H](C)NC(=O)CNS(=O)(=O)N(C)C 1135568640 RCPGXDGEPKCCJO-NEPJUHHUSA-N 318.443 -0.721 30 20 DBED C=CCN[C@H](C)C[C@H](C)NC(=O)CN1CCS(=O)(=O)CC1 1146313300 FYLICTWZANDBSL-OLZOCXBDSA-N 317.455 -0.224 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)c1ccn(C)n1 1146322766 JZMOCERPUKXAQL-RYUDHWBXSA-N 305.382 -0.344 30 20 DBED Cn1ccc(C(=O)N2CC3(CCN(CC(=O)NCC#N)C3)C2)c1 1147329235 PBYBGSKDBYBPCK-UHFFFAOYSA-N 315.377 -0.187 30 20 DBED N#CCNC(=O)CN1CCCO[C@H](CNC(=O)C2=CCCC2)C1 1149512244 BHSMIDCASDXMPR-CQSZACIVSA-N 320.393 -0.056 30 20 DBED C=CCOCCNCCNC(=O)CCC(=O)N1CCOCC1 1150051535 FHEILPDTTRVZAU-UHFFFAOYSA-N 313.398 -0.466 30 20 DBED C#CCNC(=O)CN1CCCO[C@H](CNC(=O)[C@@H]2C[C@H]2CC)C1 1150333795 PQBMTBDJGMNXJU-RBSFLKMASA-N 321.421 -0.011 30 20 DBED C#CCN1CCC(CCOC)(NC(=O)CNC(=O)OC)CC1 1150970254 BAWFJIQZXHCCLT-UHFFFAOYSA-N 311.382 -0.037 30 20 DBED CC(C)[C@@H](C(=O)NCCNCC(=O)NCC#N)N1CCCCC1 1152479012 AHCJIQILGZCRDO-HNNXBMFYSA-N 323.441 -0.158 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@@H]1CN2CCC[C@H]2CO1 1158486569 OHYHHNPXWCCRIL-KBPBESRZSA-N 324.425 -0.752 30 20 DBED C=CCOCCNCCCNC(=O)CCNS(C)(=O)=O 1159195043 KKKGLEMPRGVBDE-UHFFFAOYSA-N 307.416 -0.776 30 20 DBED COCC1(CNC(=O)[C@H]2CCCNC2=O)CCN(CC#N)CC1 1162306645 RNBPFIQFQMKHGM-ZDUSSCGKSA-N 322.409 -0.119 30 20 DBED C#CCN1CCC(CNC(=O)c2cnn(C)n2)(COC)CC1 1162532902 FJNVJNNNIVQRHE-UHFFFAOYSA-N 305.382 -0.093 30 20 DBED CCN(CCC#N)C(=O)CNCCCNC(=O)[C@@H]1CCN(C)C1 1176072591 ZMRZCVRPEKVNQS-CQSZACIVSA-N 323.441 -0.204 30 20 DBED C#CCCN1CCO[C@H]2CCN(C(=O)CNC(=O)NC)C[C@@H]21 1177025793 UPDMIRWWPJWOHL-STQMWFEESA-N 308.382 -0.760 30 20 DBED C=CCCN[C@H]1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)[C@H]1C 1178829681 FDXOIFQZEFHEAS-STQMWFEESA-N 320.393 -0.298 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)CCc2ccon2)[C@H]1C 1179141941 VFXBKQBORGXUEY-JSGCOSHPSA-N 318.377 -0.064 30 20 DBED Cn1cc(C(=O)NCCCCCCNCC#N)c(O)nc1=O 1180256254 PFZWJJCDMLOCPX-UHFFFAOYSA-N 307.354 -0.111 30 20 DBED C#CCNC(=O)CNC[C@]1(C)CN(C(=O)[C@@H]2CCOC2)C[C@H]1C 1180813992 PCOJUMPMCYSXSK-CKEIUWERSA-N 321.421 -0.154 30 20 DBED C=CCN1CC[C@H](N[C@@H]2CCN(C(=O)CN(C)C(C)=O)C2)C1=O 1181130853 HZFSNXQKLQQPHP-KGLIPLIRSA-N 322.409 -0.558 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2ccncc2C)C1 1182351169 IUMLFRZUCBIMJX-CYBMUJFWSA-N 300.362 -0.056 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)CCCCNC(N)=O)C1 1184050052 VKRTVDHFHSDNJO-CYBMUJFWSA-N 310.398 -0.335 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@H]2CN(Cc3cnnn3C)C[C@H]21 1187881716 BWFJFHXXBJLBBE-VNHYZAJKSA-N 317.393 -0.114 30 20 DBED CCS(=O)(=O)CC(=O)N1CC[C@@H](NCC#CCOC)C1 1188132259 BYSSXDDPABNYSM-GFCCVEGCSA-N 302.396 -0.739 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)[C@@H](C)n2cccn2)C1 1188974503 QDFPQBGWFHJQIN-KGLIPLIRSA-N 317.393 -0.274 30 20 DBED CCCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 1192249266 OSNMKWNNWNKAOQ-CHWSQXEVSA-N 319.365 -0.813 30 20 DBED CN(CC#N)[C@H]1CCN(C(=O)CNC(=O)c2ccccn2)C1 1194216587 BVWYFTZRMQWUTO-LBPRGKRZSA-N 301.350 -0.132 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)CCc2nc(C(C)C)no2)C1 1195158096 PMKXADPAYYCXQT-VXGBXAGGSA-N 306.366 -0.080 30 20 DBED CC#CCCCC(=O)N[C@@H]1CN([C@@H]2CCN(CC)C2=O)C[C@H]1O 1195474838 XUGBVZOYZQFDDK-RBSFLKMASA-N 321.421 -0.038 30 20 DBED C#CCC1(C(=O)N2CCCN(CC(N)=O)CC2)CCOCC1 1196107266 KUVXVRCKAMKQGK-UHFFFAOYSA-N 307.394 -0.174 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2cn(C)nc2C)C[C@H]1O 1199314123 PGBZYQLQEHYYBW-NWANDNLSSA-N 322.409 -0.019 30 20 DBED CN1CCC[C@H]1C(=O)N1CCC(NCC(=O)NCC#N)CC1 1199826278 IVSVMBYVEWFDIG-ZDUSSCGKSA-N 307.398 -0.699 30 20 DBED C#CCNC(=O)CNC[C@H]1CN(C(=O)c2ccc[nH]2)CCCO1 1199833235 SYZVLBSFPDKOSN-ZDUSSCGKSA-N 318.377 -0.415 30 20 DBED C#CCNC[C@@H]1CN(C(=O)[C@@]2(CC)CCNC2=O)CCCO1 1200721058 FVOUXBUFAQOYGJ-CJNGLKHVSA-N 307.394 -0.257 30 20 DBED C#CCNC[C@H]1CN(C(=O)c2ccc(=O)n(C)c2)CCCO1 1200873110 DYZFGUCAPLFTGU-AWEZNQCLSA-N 303.362 -0.161 30 20 DBED C#CCNC(=O)CN[C@@H]1C[C@H](NC(=O)COCC)C12CCC2 1202373079 YBHLQFPKJGJGIQ-OLZOCXBDSA-N 307.394 -0.211 30 20 DBED C#CCOCCC(=O)N[C@@H]1C[C@H](NCC(=O)NC)C12CCC2 1202921864 ZDGRDHAJDMTEMC-QWHCGFSZSA-N 307.394 -0.211 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC(CNCC(=O)NCC)CC1 1205264409 FMQVCIMMUUHUIG-ZDUSSCGKSA-N 309.410 -0.011 30 20 DBED C#CCNC(=O)[C@@H](C)NCC1CCN(C(=O)c2cnn[nH]2)CC1 1205608934 OGDZEDBRESGLJK-LLVKDONJSA-N 318.381 -0.616 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2ccccn2)[C@H](C)C1 1205723275 KLDJPZHOZSEYDE-TZMCWYRMSA-N 300.362 -0.119 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)[C@@H](C)OCC2CC2)[C@H](C)C1 1206446495 BJFZNNZUDIEZAT-UMVBOHGHSA-N 321.421 -0.013 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)c2ccnn2C)C1 1207585905 PEDVNFFAUDWISR-GFCCVEGCSA-N 305.382 -0.084 30 20 DBED CCNC(=O)NC(=O)CN[C@H]1CCCN(C(=O)[C@@H](C)C#N)C1 1207687478 FZIORISHSIBQRH-QWRGUYRKSA-N 309.370 -0.428 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@H](NCc2cnn(C)n2)C1 1207870155 RBGADHLJTMVXOW-LBPRGKRZSA-N 318.381 -0.965 30 20 DBED C=CCCN1C[C@@H](NC(=O)CNS(=O)(=O)NC)[C@H](C)C1 1208138832 ODYWUQVFTSVMFU-GHMZBOCLSA-N 304.416 -0.947 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)CN2CC[C@@H](C)C2)[C@H](C)C1 1208591307 UHBFMKPPXRLIOM-RBSFLKMASA-N 320.437 -0.486 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCCN(C(=O)c2csnn2)C1 1208805677 FVNRESIGAOPXRA-MNOVXSKESA-N 321.406 -0.130 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)[C@H](C)CCOC)C1 1211159673 JXKYBFJVSFWJSJ-KGLIPLIRSA-N 309.410 -0.011 30 20 DBED CO[C@@H]1CN(CCOCCO)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 1212081101 HHEZTZHGEBVZGB-ZIAGYGMSSA-N 322.365 -0.676 30 20 DBED C=C(Cl)CN1C[C@@H](NC(=O)CNC(=O)NC)[C@H](OC)C1 1212368598 UDFOCWUAAVTLBA-NXEZZACHSA-N 304.778 -0.517 30 20 DBED COCC1(C(=O)N[C@@H]2CN(CC#N)C[C@H]2OC)CCOCC1 1212379873 UVSCLPQPSVPLPY-CHWSQXEVSA-N 311.382 -0.231 30 20 DBED COCC#CCN1C[C@@H](NC(=O)c2c(C)cnn2C)[C@H](OC)C1 1213292485 GNKICACMACJCQJ-ZIAGYGMSSA-N 320.393 -0.193 30 20 DBED C[C@@H]1CN(C(=O)c2ccnn2C)C[C@H]1NCC(=O)NCC#N 1214280504 VTTPAJBRBKODMG-GHMZBOCLSA-N 304.354 -0.890 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CN(Cc2ccc(C(N)=O)cc2)C[C@@H]1O 1219365602 BDUKFAVNLJCHOT-HONMWMINSA-N 316.361 -0.394 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C=C(CC)CC)C1 1219455565 PPRPLOIHTWXAFI-KGLIPLIRSA-N 307.394 -0.357 30 20 DBED C=C[C@@](C)(O)CC(=O)N1C[C@H]2CCN(Cc3nnnn3C)C[C@H]21 1221516181 GFUFYUXGTOXKMS-LALPHHSUSA-N 320.397 -0.430 30 20 DBED CC(=O)N[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCC#N 1224657992 IETFRXUSUZUOFN-RAIGVLPGSA-N 323.397 -0.832 30 20 DBED C#CCCCC(=O)NCC[C@H]1CN(CC#N)CCS1(=O)=O 1230454794 DZDFNXBVAJYKPF-ZDUSSCGKSA-N 311.407 -0.081 30 20 DBED C=CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)c1cc[n+]([O-])cc1 1230654687 SOCHTXPBBXRVEJ-CQSZACIVSA-N 318.377 -0.232 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)[C@@H]1CCCOC1 1231102989 MDABRWYXLZAVSZ-KGLIPLIRSA-N 307.394 -0.305 30 20 DBED C#CCNC(=O)CC(=O)N(C)C[C@H]1CCN1Cc1ccnn1C 1233808937 FWHPXKDSUVPKPD-CQSZACIVSA-N 317.393 -0.408 30 20 DBED Cc1nnsc1C(=O)NCCCN(C)CC(=O)NCC#N 1233819725 VLUVXRKIDTWIJQ-UHFFFAOYSA-N 310.383 -0.462 30 20 DBED C#CCCN[C@@H](C)CCNC(=O)c1cn(C)c(=O)n(C)c1=O 1274797710 JSJYZTKAXSENMP-NSHDSACASA-N 306.366 -0.795 30 20 DBED C=CCOC[C@@H](NC(=O)Cn1cc([C@@H](C)O)nn1)C(=O)OC 1321582938 KMXTUHVOSFTRIY-MWLCHTKSSA-N 312.326 -0.808 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCN(C2CCOCC2)CC1 1323028114 XFVCUJPKGRMCBQ-UHFFFAOYSA-N 323.393 -0.924 30 20 DBED Cc1cc(NC(=O)C(=O)NCC(=O)NC(C)C)nn1CCC#N 1323255239 GFPWRXKNTFZWLQ-UHFFFAOYSA-N 320.353 -0.316 30 20 DBED CC[C@@H](C#N)NC(=O)CCc1nc2c(O)nc(=O)n(C)c2[nH]1 1324135729 HFUDBYQBSFNLCD-ZETCQYMHSA-N 304.310 -0.287 30 20 DBED C=C[C@@H]1CCCCN1C(=O)C(=O)NCc1cc(C(N)=O)no1 1324693578 PVFQZYLSUCLEBL-SECBINFHSA-N 306.322 -0.043 30 20 DBED C#CCOCCNC(=O)C(=O)Nc1ccnn1C[C@H]1CCOC1 1325240562 RTLZCIBAABQBST-GFCCVEGCSA-N 320.349 -0.376 30 20 DBED C=C(C)COCCNC(=O)C(=O)N[C@@H](C)CN1CCCC1=O 1325904943 DGGDLAXCLFWWAC-LBPRGKRZSA-N 311.382 -0.178 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)N2CCn3cncc3C2)C1 1326265326 GEOZTBVZRHJTRV-AWEZNQCLSA-N 303.322 -0.898 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N1CC[C@H](NC(=O)NC2CC2)C1 1327259699 UTPUPVUSEJBKMZ-JQWIXIFHSA-N 324.381 -0.634 30 20 DBED C[C@H]1C[C@@H](NC(=O)C(=O)NCCNc2ccc(C#N)cn2)CO1 1329401164 SXQRNGBEQDAUMM-CMPLNLGQSA-N 317.349 -0.225 30 20 DBED C[C@H](NC(=O)C(=O)N1CC[C@@](F)(C#N)C1)[C@H]1CN(C)CCO1 1329664675 IFRHDKPSFGBPKP-MISXGVKJSA-N 312.345 -0.714 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N1CC(NC(=O)OC)C1 1332837295 KTROVJWWTUWCLU-SNVBAGLBSA-N 311.338 -0.902 30 20 DBED CC(C)(C)NC(=O)CCNC(=O)C(=O)Nc1cnn(CC#N)c1 1334474813 JZCYXCQITXVYOD-UHFFFAOYSA-N 320.353 -0.234 30 20 DBED C=CCCSCCn1nnnc1N1C[C@H]2C(=O)NC(=O)[C@H]2C1 1334532649 PNVBLSCJVCFGMT-AOOOYVTPSA-N 322.394 -0.309 30 20 DBED C#CCN(CC)c1nnnn1[C@H]1CCCN(S(C)(=O)=O)C1 1334856673 DHOOPTDYXZOUQX-NSHDSACASA-N 312.399 -0.271 30 20 DBED Cc1cc(NC(=O)C(=O)N[C@@H](C)c2nnnn2C)ncc1C#N 1336952525 KIHKKOGLKDMNKV-QMMMGPOBSA-N 314.309 -0.399 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N1CCO[C@H](CC(=O)OC)C1 1343078558 BRASPTBKVWEZEG-WDEREUQCSA-N 314.338 -0.906 30 20 DBED C[C@H](NC(=O)C(=O)N1CC[C@@](F)(C#N)C1)c1nnc2n1CCC2 1344916186 BVXIZPQZCJCVGC-LKFCYVNXSA-N 320.328 -0.134 30 20 DBED C=CCn1cc(CNC(=O)C(=O)NCCOCC(F)F)nn1 1345700147 RFLNGKLXCBWDHQ-UHFFFAOYSA-N 317.296 -0.522 30 20 DBED C#CCCN1CCC(NC(=O)c2cnn(C[C@H](O)CO)c2)CC1 1347539858 DGXHMXMOCLCZNA-HNNXBMFYSA-N 320.393 -0.546 30 20 DBED CC(C)(C)N1CC[C@@H](NC(=O)C(=O)N2CCO[C@@H](C#N)C2)C1=O 1349271895 MKUUHEVRRPUYEY-WDEREUQCSA-N 322.365 -0.747 30 20 DBED C[S@@](=O)C1(CNC(=O)Cn2cc(C#N)c(O)nc2=O)CCC1 1362740079 QCQRKTMCXVNGSM-JOCHJYFZSA-N 324.362 -0.762 30 20 DBED Cn1c(N[C@@H](CO)C[C@@H]2CCCO2)c(C#N)c(=O)n(C)c1=O 1364253929 UQYTWFCHOYIYAW-ZJUUUORDSA-N 308.338 -0.702 30 20 DBED C=C(Cl)CNC[C@@H](O)CN(C)C(=O)CNC(=O)C1CC1 1369442168 BJVOFNGIWAYUCC-LLVKDONJSA-N 303.790 -0.326 30 20 DBED C=C(Br)CN(C)CCN(C)C(=O)Cn1cnnn1 1374461708 AZGYDASXBSXUIE-UHFFFAOYSA-N 317.191 -0.028 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1cnn2ccccc12 1376678620 ZFCRKXMOCXADJR-MNOVXSKESA-N 315.333 -0.299 30 20 DBED C[C@H](C#N)C(=O)NC1CN(CC(=O)NC(=O)NC2CCCC2)C1 1391422137 TZBHOTAULXYGNQ-SNVBAGLBSA-N 321.381 -0.285 30 20 DBED C=C(Cl)CNC[C@@H](O)CNC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1392396362 MQYSYARQUGWODE-QNWHQSFQSA-N 318.801 -0.143 30 20 DBED C[C@@H](CN(C)C(=O)c1ccc(C(N)=O)cn1)NC(=O)[C@@H](C)C#N 1395601860 BFAYKGFVRZJADI-UWVGGRQHSA-N 317.349 -0.083 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@@H](CNC(=O)CCn2cncn2)C1 1396512342 OHUONOCATSWSMP-UTUOFQBUSA-N 304.354 -0.161 30 20 DBED C[C@H](C#N)C(=O)N1CCN(CCNC(=O)CCCN(C)C)CC1 1396887600 BKJKEIIXXURFNQ-CQSZACIVSA-N 323.441 -0.252 30 20 DBED COCC(=O)N(C)CC(=O)N[C@H](C)C1CN(C(=O)[C@H](C)C#N)C1 1404651347 HYWSUZZMEYKIBZ-GHMZBOCLSA-N 324.381 -0.786 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CN(C)C(=O)Cc1cncn1C 1405635230 ZJSIILOSYQOEJQ-ZYHUDNBSSA-N 307.354 -0.942 30 20 DBED N#Cc1cc(F)cc(NC(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)c1 1413612489 IMGPAIULKHQJLY-GHMZBOCLSA-N 313.310 -0.023 30 20 DBED COC(=O)NCC(=O)N[C@H](C)CNC(=O)c1cc(C#N)c[nH]1 1416790295 DSMDRLDDHPPFGU-MRVPVSSYSA-N 307.310 -0.523 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)c2ccc(CS(N)(=O)=O)cc2)C1 1418179648 SHHYGQFPYAJQCD-CQSZACIVSA-N 323.374 -0.034 30 20 DBED C[C@@H](C#N)C(=O)NCCN1CCN([C@@H](C)C(=O)N(C)C)CC1 1419131078 POLBTDVXHWIPOR-STQMWFEESA-N 309.414 -0.643 30 20 DBED CNC(=O)NC(=O)CN(C)[C@H](C)CNC(=O)c1cc(C#N)c[nH]1 1424930381 KTNRXSZRBNPFBN-SECBINFHSA-N 320.353 -0.608 30 20 DBED CCn1cc(C(=O)N(C)C[C@H](O)CNC(=O)[C@@H](C)C#N)cn1 1425774101 LVXZULUGYHEXOC-CMPLNLGQSA-N 307.354 -0.388 30 20 DBED C[C@@H](CC(N)=O)C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 1433807147 HSCFNKOVFXMINQ-QWRGUYRKSA-N 316.365 -0.103 30 20 DBED CN(CCC#N)S(=O)(=O)N(CC(N)=O)C1CCOCC1 1434608299 STZARFCBMZJJNY-UHFFFAOYSA-N 304.372 -0.957 30 20 DBED C[C@H]1CN(C(=O)CN[C@H]2C[C@@H](CNC(=O)[C@H](C)C#N)C2)CCO1 1440280078 XPXMKCGNJDUXRJ-RQJABVFESA-N 322.409 -0.122 30 20 DBED CNS(=O)(=O)CCC(=O)N(C)C[C@@H](C)NC(=O)[C@H](C)C#N 1451029638 SXMACCCRGIECOC-NXEZZACHSA-N 318.399 -0.952 30 20 DBED CN(CCC#N)S(=O)(=O)N[C@H]1C[C@H]2CCCCN2C1=O 1463829989 IGDHIHANSQZYRQ-MNOVXSKESA-N 300.384 -0.180 30 20 DBED C=C(Cl)CNC[C@H](C)NC(=O)CNS(=O)(=O)N(C)C 1498127824 OUIBXYDXUSRJTI-VIFPVBQESA-N 312.823 -0.771 30 20 DBED CC[C@H](CNC(=O)CNC(C)=O)NC(=O)c1cc(C#N)c[nH]1 1498870754 CEODJHAQSTXOJQ-LLVKDONJSA-N 305.338 -0.353 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1ccc2nncn2c1 1501576637 NVMRNIFNRSQMFG-KOLCDFICSA-N 316.321 -0.904 30 20 DBED CC#CCS(=O)(=O)c1cccc(C(=O)N(C)C[C@H](O)CN)c1 1574969726 LFCPVOWSJJTMLL-CYBMUJFWSA-N 324.402 -0.125 30 20 DBED CC#CCNC[C@@H](O)CN(C)C(=O)[C@@H](C)OCc1cnn[nH]1 1575123870 XRFSSHUMEUKCTP-DGCLKSJQSA-N 309.370 -0.858 30 20 DBED C[C@H](C#N)C(=O)NCCCNc1cncc(-c2nn[nH]n2)n1 1588929041 FSTDVCATSDQZEL-MRVPVSSYSA-N 301.314 -0.265 30 20 DBED N#CCNC(=O)CNC(=O)c1ccc(-c2nn[nH]n2)c(Cl)n1 1592678472 YDGPMWCFTGPVNU-UHFFFAOYSA-N 320.700 -0.715 30 20 DBED N#CCCNC(=O)CN1CCC(N2C[C@H](C(=O)O)CC2=O)CC1 1594609910 DQRXDJRUGBBUDE-LLVKDONJSA-N 322.365 -0.586 30 20 DBED CS(=O)(=O)c1ccc(C(=O)N(CC#N)CCC(=O)O)cn1 1599767541 SKKFKERAOHPFAB-UHFFFAOYSA-N 311.319 -0.074 30 20 DBED C#CC[C@H](NC(=O)c1ccc(CNS(C)(=O)=O)o1)C(=O)O 1602693304 OWEHRVGTGJAKBJ-VIFPVBQESA-N 314.319 -0.465 30 20 DBED C#CCOCCN(C)S(=O)(=O)c1ccc(-c2nn[nH]n2)o1 1602729293 NLAKJVZJJHLMCJ-UHFFFAOYSA-N 311.323 -0.270 30 20 DBED COC(=O)C1(C#N)CCN(c2c(-c3nn[nH]n3)cnn2C)CC1 1604916881 VEQQIBSRZPWXHQ-UHFFFAOYSA-N 316.325 -0.117 30 20 DBED COC(=O)C1=NO[C@H](Cn2cnc(C#N)c2-c2nn[nH]n2)C1 1604922220 VCYWCTCHBQKJPP-LURJTMIESA-N 302.254 -0.747 30 20 DBED COC(=O)CCN(CC#N)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 1604938271 PDULAZVDWAZSER-UHFFFAOYSA-N 303.282 -0.276 30 20 DBED Cn1c(N[C@H]2C[C@H]3C[C@H](C(=O)O)C[C@@H]23)c(C#N)c(=O)n(C)c1=O 1608092021 XEEWVUFMMAFSER-LOKLDPHHSA-N 318.333 -0.133 30 20 DBED C#CCSCCNS(=O)(=O)c1cccnc1-c1nn[nH]n1 1609021588 LCHWBUMMTDEUQF-UHFFFAOYSA-N 324.391 -0.094 30 20 DBED Cn1c(=O)nc(O)c2cc(C(=O)N3CCO[C@@H](C#N)C3)cnc21 1645548487 DMMHJYZFBWCRTC-VIFPVBQESA-N 315.289 -0.601 30 20 DBED C=CCCN[C@@H](C)CCNC(=O)c1c[nH]nc1S(N)(=O)=O 1713416508 XELLWQPFFZFIOX-VIFPVBQESA-N 315.399 -0.269 30 20 DBED C=C(Cl)CN(C)CCCNC(=O)c1cn(CC(N)=O)nn1 1752121632 LBAZQMYXNCNGQK-UHFFFAOYSA-N 314.777 -0.432 30 20 DBED CCN(CC)S(=O)(=O)CC(=O)N[C@H]1C[C@@H](NCC#N)C1 1752768683 KFOBYIOHGQPTDM-PHIMTYICSA-N 302.400 -0.582 30 20 DBED C=CCN1CC[C@@H](N[C@H](C)CCNC(=O)c2ncn(C)n2)C1=O 1753004755 MSJFEVWMZCZPJS-VXGBXAGGSA-N 320.397 -0.300 30 20 DBED COCC#CCN(C)C[C@H]1CCN(C(=O)[C@H]2CCC(=O)NC2)C1 1753350619 NCRRYQVSKIANOF-CABCVRRESA-N 321.421 -0.057 30 20 DBED N#CCNC(=O)CN1CC(NC(=O)c2cnc3ccccc3n2)C1 1753378802 WVRBTNOIUICIPB-UHFFFAOYSA-N 324.344 -0.316 30 20 DBED C=CCNC[C@H]1[C@@H](C)CCCN1C(=O)CN1CCNC(=O)C1 1753809830 RIPGBWJSJOMYHJ-KBPBESRZSA-N 308.426 -0.179 30 20 DBED C#CCNC[C@H](O)CNC(=O)c1sccc1-n1ccnn1 1753915225 QYUYYHHVJMGCHN-JTQLQIEISA-N 305.363 -0.358 30 20 DBED C=CCNC(=O)CNC[C@@H](NC(=O)c1cnn(C)c1)C1CC1 1754437881 YQALGMOHCPWCFW-CYBMUJFWSA-N 305.382 -0.180 30 20 DBED COC[C@H](C)CC(=O)N1CCC[C@H]1CNCC(=O)NCC#N 1754619477 ZVVHKTVRIMAFLB-OLZOCXBDSA-N 310.398 -0.121 30 20 DBED CCC[C@H](C(=O)N[C@H]1CCCN(CC#N)CC1)S(N)(=O)=O 1755026455 QABGKLZMOCXFKJ-NWDGAFQWSA-N 316.427 -0.062 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1COC2(C1)CN(CC#CCOC)C2 1755059186 OQJMUUJJVKIGEG-GOEBONIOSA-N 322.405 -0.077 30 20 DBED N#CCNC(=O)CN[C@]1(CO)CCCN(C(=O)c2ccc[nH]2)C1 1755080292 BVRVVPQAPSKROI-OAHLLOKOSA-N 319.365 -0.789 30 20 DBED N#CCNC[C@H]1C[C@H](NC(=O)CNC(=O)c2ccncc2)C1 1755470758 CQQZTRQKANNGMC-AULYBMBSSA-N 301.350 -0.181 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C[C@H](O)CN(C)Cc1n[nH]c(C)n1 1755800413 HXNCQLVILMWLRR-WCQYABFASA-N 323.397 -0.597 30 20 DBED CN(CC#N)C[C@@H](O)CN(C)C(=O)c1cnn2c1OCCC2 1755803131 NPFNCQDXYUYNJS-LLVKDONJSA-N 307.354 -0.446 30 20 DBED C#CCOCCC(=O)N[C@@H](C)C1CN(C(=O)c2nonc2C)C1 1756142267 RRWHQLIWLFSNBW-JTQLQIEISA-N 320.349 -0.005 30 20 DBED Cn1ncc(C(=O)NC[C@H](CO)NC(=O)C#CC(C)(C)C)n1 1756534835 APTYXCCHGKCPIY-SNVBAGLBSA-N 307.354 -0.929 30 20 DBED C=C[C@@](C)(CC)C(=O)N[C@@H](CO)CNC(=O)c1cnc(O)n1C 1756539326 BGZIGQYUXAFAAX-BMIGLBTASA-N 324.381 -0.065 30 20 DBED C#CCOCCC(=O)N1C[C@H](O)[C@H](NC(=O)CCC(F)F)C1 1757192898 NBLNJAXPGNZZGJ-MNOVXSKESA-N 318.320 -0.241 30 20 DBED N#CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cncnc1 1794820355 WOQFIFRUGILDFV-DABQJJPHSA-N 315.333 -0.407 30 20 DBED C=CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)n[nH]1)C2 1800997893 VEKUXHXIRXLCHD-WDAIWFPHSA-N 320.349 -0.105 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)[C@@H]1C=CCN1)C2 1841599743 KRQSROUCEFUVQJ-KBPBESRZSA-N 317.389 -0.244 30 20 DBED C#CCNC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 24674520 QAZAQIAWSFXSSI-UHFFFAOYSA-N 321.358 -0.830 30 20 DBED C=CCn1nnnc1Sc1c(C#N)c(=O)n(C)c(=O)n1C 53578498 PYRXKZDJJYDMQB-UHFFFAOYSA-N 305.323 -0.721 30 20 DBED N#Cc1cccc(C(=O)NCC(=O)NCCN2CCOCC2)c1 110027824 WMXRDSQQPLGREZ-UHFFFAOYSA-N 316.361 -0.264 30 20 DBED C[C@H]1CN(C)CC[C@H]1N(C)c1c(C#N)c(=O)n(C)c(=O)n1C 267550885 DGRZSFHFIDTAHL-CMPLNLGQSA-N 305.382 -0.268 30 20 DBED C#Cc1cccc(NC(=O)CN(C)C(=O)[C@H](CO)NC(N)=O)c1 270800233 ZLJJLJWEKRKRRI-LBPRGKRZSA-N 318.333 -0.906 30 20 DBED COC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)c1cccc(C#N)c1 274026247 MDGWKJXZFQXDLD-GFCCVEGCSA-N 322.342 -0.030 30 20 DBED Cc1ccc(C#N)cc1NC(=O)C(=O)N1C[C@@H](O)C[C@H]1CO 276198696 VHKKYIMBLHTEII-RYUDHWBXSA-N 303.318 -0.241 30 20 DBED Cn1cc(S(=O)(=O)NCCn2cnc(C#N)n2)nc1Cl 285476145 CIUKDBBTDUWLPS-UHFFFAOYSA-N 315.746 -0.485 30 20 DBED C[C@@H]1C[C@@H](C)CN(C(=O)Cn2c(=O)c(C#N)cn(C)c2=O)C1 294492086 YMWNFPWOEQQFMZ-GHMZBOCLSA-N 304.350 -0.077 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@H]1CC(C(N)=O)=NO1 298194095 FDPROMKKLKCQJS-FOGDFJRCSA-N 310.354 -0.103 30 20 DBED CN1C[C@H](/N=C(/O)N2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)CC1=O 328977954 DLPWFSWQIKUWMU-YVECIDJPSA-N 311.382 -0.007 30 20 DBED Cn1nnc2cc(/C(O)=N/CC(=O)N3CCOCC3)cnc21 329469611 XQPCXHLAUFSLJP-UHFFFAOYSA-N 304.310 -0.473 30 20 DBED CC(C)C(=O)NCCN(C)S(=O)(=O)N1CCO[C@H](C#N)C1 336889989 MJRCPIPPUIWXQW-LLVKDONJSA-N 318.399 -0.840 30 20 DBED Cc1noc([C@@H](C)NS(=O)(=O)N2CCO[C@H](C#N)C2)n1 336927630 WTTXFLZPPPQUCI-VXNVDRBHSA-N 301.328 -0.502 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CC[C@@H](C)S(=O)(=O)CC1 337147591 GLHZJWBSMONSEM-LLVKDONJSA-N 323.440 -0.024 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CCOC[C@@]12CCOC2 337204466 IVZIVLAIGBXOAA-LBPRGKRZSA-N 303.384 -0.042 30 20 DBED CC(C)n1cc(C#N)c(NC(=O)C(=O)N[C@H](C)C[C@@H](C)O)n1 340851810 IYHGQJITHLQLEV-NXEZZACHSA-N 307.354 0.550 30 20 DBED N#CCCC[C@H](N)C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 424073685 FXCZRLRXWMPTDG-STQMWFEESA-N 308.382 -0.143 30 20 DBED N#Cc1ncccc1S(=O)(=O)NCC1CCN(CCO)CC1 428251928 CEHCCLSOVQNUIG-UHFFFAOYSA-N 324.406 -0.064 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@H](N)[C@@H](C)C2)C1=O 429126762 IPIODLRZUBHXRQ-VHSXEESVSA-N 308.338 -0.841 30 20 DBED C=CCOC[C@H](NC(=O)[C@H]1COCCN1CC)C(=O)OC 435947473 FFWMINMMYRYGLL-NWDGAFQWSA-N 300.355 -0.433 30 20 DBED COC[C@](C)(CC(=O)OC)NS(=O)(=O)N(C)CCC#N 487100946 OVJDYTJKTDMQOF-NSHDSACASA-N 307.372 -0.366 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)C2(C#N)CC(C)C2)CC1 491275338 CYYSYJSODJJBCO-UHFFFAOYSA-N 302.378 -0.180 30 20 DBED Cc1cc(NC(=O)C(=O)N(C)CC(C)(CO)CO)ncc1C#N 567749191 CVELTBKJDUTDQT-UHFFFAOYSA-N 320.349 -0.351 30 20 DBED CC(C)[C@@H](N)CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 572644636 HWSWMOILLIRQRW-ZDUSSCGKSA-N 324.406 -0.064 30 20 DBED Cn1c(=O)c2cc(NC(=O)N3CC(C#N)C3)cnc2n(C)c1=O 590104854 NBDDPHIHVKHFGQ-UHFFFAOYSA-N 314.305 -0.381 30 20 DBED CC(C)NS(=O)(=O)N1CCN(C(=O)NC[C@H](C)C#N)CC1 596549728 KCOVZYQKZJDRFD-LLVKDONJSA-N 317.415 -0.284 30 20 DBED CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N1CC[C@](F)(C#N)C1 596747179 CJJCVPNAJWVBHV-NGZCFLSTSA-N 305.331 -0.554 30 20 DBED CCNC(=O)CCC(=O)N(CCC#N)CCN1CCOCC1 609516697 GBEMAMLJABJUKL-UHFFFAOYSA-N 310.398 -0.023 30 20 DBED Cn1c(N2CCO[C@@H](C(F)(F)F)C2)c(C#N)c(=O)n(C)c1=O 610077028 KPHITDXRXVODOU-MRVPVSSYSA-N 318.255 -0.277 30 20 DBED CC#CC[C@H](CO)NC(=O)C(=O)Nc1c2c(nn1C)CCC2 646951822 OJCXKGHWELRGAX-SNVBAGLBSA-N 304.350 -0.262 30 20 DBED C=CCNc1nnc(S(=O)(=O)Cc2nnn(C)n2)s1 663243410 HFXBKJAMDXHPTE-UHFFFAOYSA-N 301.357 -0.367 30 20 DBED C#Cc1ccc(C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)cn1 728807763 GGBNCYPGMTYQRF-UHFFFAOYSA-N 322.390 -0.373 30 20 DBED C=CCNC(=O)[C@@H](C)OC(=O)Cn1cc([N+](=O)[O-])ccc1=O 748917501 PFLXGOPPKAPJJO-SECBINFHSA-N 309.278 -0.010 30 20 DBED C#CCOCCC(=O)N1CCC(N(C)S(C)(=O)=O)CC1 755663691 DBASGGLKIYNGHB-UHFFFAOYSA-N 302.396 -0.091 30 20 DBED C#C[C@@H](NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C)[C@@H]1CCCO1 774249956 NUNKOKODBOXNSL-BARDWOONSA-N 319.405 -0.022 30 20 DBED C=CCC[C@H](NS(=O)(=O)N(C)CCC(=O)OC)C(=O)O 776586928 GHDRNKPJRNRJPH-VIFPVBQESA-N 308.356 -0.265 30 20 DBED COCCCNC(=O)[C@@H](C)N1CCN(C(=O)C=NOC)CC1 809666226 RMKQAHZUSVKXSU-GFCCVEGCSA-N 314.386 -0.696 30 20 DBED O=C(Cn1c(=O)cnc2ccccc21)N[C@H]1CCCN(O)C1=O 816755879 LAGYTFPTUOPDQO-NSHDSACASA-N 316.317 -0.107 30 20 DBED C#CCNC(=O)CCNCc1ccc(CS(=O)(=O)NC)cc1 818944571 MOOCFHZXARKPKV-UHFFFAOYSA-N 323.418 -0.035 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@@H](OC)C2CCC2)CC1 825967347 HTFDZDSCAYPXQU-HNNXBMFYSA-N 307.394 -0.305 30 20 DBED Cc1cccc2c(=O)n(CC(=O)N[C@H]3CNC[C@H]3C#N)cnc12 834512060 RJDNTCMNMQWQKE-YPMHNXCESA-N 311.345 -0.067 30 20 DBED N#C[C@@]1(C(=O)OCC(=O)N2CCNC(=O)C2)CC12CCCC2 837904729 BNSIIKUKLUZFPF-OAHLLOKOSA-N 305.334 -0.038 30 20 DBED C#CCCCS(=O)(=O)N1CCN(C)C[C@@H](C(=O)OC)C1 841555694 NYSGHTRCFQVEBT-GFCCVEGCSA-N 302.396 -0.234 30 20 DBED C[C@H](C#N)CN(C)C(=O)C(=O)N1CC[C@@H](N2CCOC2=O)C1 850692742 ROEUPZMFHAJPAS-GHMZBOCLSA-N 308.338 -0.342 30 20 DBED CCOC(=O)CON=C(C(=O)NC[C@H](C)OC)c1cc[nH]n1 855610050 UXMOAMSZXGPFKR-VIFPVBQESA-N 312.326 -0.155 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)N2CCCC2)CC1 871738371 JNXCLIJQJLECRQ-UHFFFAOYSA-N 300.384 -0.713 30 20 DBED C=CCS(=O)(=O)CCNS(=O)(=O)c1cn(C)nc1CC 882059560 OQIPFGHINOVMER-UHFFFAOYSA-N 321.424 -0.138 30 20 DBED CC(C)NC(=O)[C@@H](C#N)C(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O 916946941 QJFPHORVOCEOBG-BONVTDFDSA-N 320.349 -0.060 30 20 DBED C#CCN1CCC(NC(=O)CN(C)CC(=O)NC(C)C)CC1 928657551 NNGUCXRUFJICMO-UHFFFAOYSA-N 308.426 -0.343 30 20 DBED C=C(C)CN1CCC(NC(=O)C(=O)NC[C@H]2CCN2C)CC1 930010907 WNEHMCLKIIVARU-CQSZACIVSA-N 308.426 -0.037 30 20 DBED C=CCN[C@@H]1CN(C(=O)c2cc(=O)n3[nH]cnc3n2)C[C@H]1C 939523507 PELMQNRVHHHXGR-MWLCHTKSSA-N 302.338 -0.346 30 20 DBED Cc1[nH]nc(C(=O)NC[C@@H]2CN(C(=O)[C@H](C)C#N)CCO2)c1O 944551920 YWAQDSYKRQVJBZ-PSASIEDQSA-N 321.337 -0.459 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@H](CNC(=O)C23CCN(CC2)C3)C1 944683429 ZXQCDPKYRPITPL-QWHCGFSZSA-N 320.393 -0.415 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)[C@H]1CCC(=O)NC1)CCO2 949129802 WNHSPYTWWYZURS-AWEZNQCLSA-N 319.405 -0.161 30 20 DBED N#Cc1cc(C(=O)NC[C@@H]2CCN2C(=O)[C@H]2COCCO2)c[nH]1 949485954 QRFSKHZOFOAOBT-QWHCGFSZSA-N 318.333 -0.368 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@H]2CNC(=O)c2cnn[nH]2)nc1 950995515 SKSSBXPBVPNFDG-NSHDSACASA-N 310.317 -0.175 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@@H]1CNC(=O)[C@@H]1CN(C)C(=O)N1 951468954 XBAQBMYSGRDAPC-MNOVXSKESA-N 308.382 -0.061 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(CC)C1CN(Cc2nnn(C)n2)C1 951781966 SLUBJESDJJOCEU-OLZOCXBDSA-N 320.397 -0.166 30 20 DBED C[C@@H](C#N)C(=O)N1CC(N(C)C(=O)c2ccc3nnnn3c2)C1 954765502 YMFKXPVIWQYNBQ-VIFPVBQESA-N 313.321 -0.433 30 20 DBED COCCn1cc(C(=O)N(C)C2CN(C(=O)[C@@H](C)C#N)C2)cn1 954999610 DZTKYEVFTSNBOT-NSHDSACASA-N 319.365 -0.028 30 20 DBED C=CCN1CCN(C(=O)CN2CCS(=O)(=O)CC2)CC1 957642068 QLGMMNSJCGZGED-UHFFFAOYSA-N 301.412 -0.953 30 20 DBED Cc1ccn2ncc(C(=O)NC[C@@H]3CN(CC#N)C[C@H]3O)c2n1 958599607 SAANLYURZJQPKA-DGCLKSJQSA-N 314.349 -0.416 30 20 DBED C#CCCN1C[C@@H](O)[C@@H](CNC(=O)c2cnn(CCOC)c2)C1 958635652 NVKSLZVPTKBDFU-DZGCQCFKSA-N 320.393 -0.425 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cnnn1C 960315257 WKHVWVXVDOAGSN-ZMLRMANQSA-N 318.337 -0.973 30 20 DBED C=CCN1CC[C@@H](N[C@@H]2CCN(C(=O)Cn3cccn3)C2)C1=O 967011450 MYDGOIAMRAPDIT-ZIAGYGMSSA-N 317.393 -0.140 30 20 DBED COc1ccc(CN[C@@H]2CCN(C(=O)C(N)=O)C2)cc1C#N 969778327 WOKOLAASSSMKPN-GFCCVEGCSA-N 302.334 -0.257 30 20 DBED CN(CC#N)[C@H]1CCN(C(=O)C2CC3(C2)CS(=O)(=O)C3)C1 971784544 KPTJAAWLRXAKNL-LBPRGKRZSA-N 311.407 -0.133 30 20 DBED Cn1nncc1C(=O)N1C[C@H]2CCN(C(=O)C#CC3CC3)C[C@H]21 971989614 RMCLJBICCCDFLX-TZMCWYRMSA-N 313.361 -0.099 30 20 DBED N#CCN1C[C@H]2CC[C@H]1CN2C(=O)c1cc(=O)n2[nH]cnc2n1 972013316 MRRGXARTOBPTIE-VHSXEESVSA-N 313.321 -0.770 30 20 DBED O=C1NCC[C@H]1N1CCO[C@@]2(CCN(C(=O)C#CC3CC3)C2)C1 972379487 YQYRPLXMRDHYSA-PBHICJAKSA-N 317.389 -0.408 30 20 DBED C#CCN1C[C@H](NC(=O)[C@H]2CCN(C)S2(=O)=O)C(C)(C)C1 977315727 KFFGTAHJNAJTMD-NEPJUHHUSA-N 313.423 -0.520 30 20 DBED C=C(Cl)CN(C)[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 980346861 SJBYSONOQFNUFO-JTQLQIEISA-N 314.773 -0.177 30 20 DBED O=C(C#CC1CC1)N1CCC[C@@H](NCC(=O)N2CCOCC2)C1 999126041 DJBHWKJVXGRUFH-OAHLLOKOSA-N 319.405 -0.161 30 20 DBED C#CCN1CC[C@@H](n2cc(CNC(=O)c3ccncn3)nn2)C1 1000031355 YCLWQSGMNCSINI-CYBMUJFWSA-N 311.349 -0.122 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)C2CCS(=O)(=O)CC2)C1 1000282448 XCHKDVKLYDLOKY-VIFPVBQESA-N 313.379 -0.702 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC(CNC(=O)c2ccon2)C1 1001059072 HFQBWSKJCQDXLD-AWEZNQCLSA-N 316.361 -0.040 30 20 DBED Cc1c(C(=O)NCC2CN(C(=O)C#CC3CC3)C2)nnn1C 1001284801 XTJAJNHRYLRSRZ-UHFFFAOYSA-N 301.350 -0.275 30 20 DBED CN(C[C@H]1CCCN1C(=O)C#CC1CC1)C(=O)[C@@H]1COC(=O)N1 1002483742 BKAJHUFSDSCHMI-OLZOCXBDSA-N 319.361 -0.042 30 20 DBED C#Cc1ccc(C(=O)N2CCC3(CN(C(=O)C(N)=O)C3)C2)cc1 1019359352 UAXOZMODBFAEPR-UHFFFAOYSA-N 311.341 -0.172 30 20 DBED C[C@H](C#N)C(=O)N1CCCO[C@H](CNC(=O)c2cnccn2)C1 1019519082 ITQMNFGKVWDXCO-VXGBXAGGSA-N 317.349 -0.016 30 20 DBED C[C@@H](C#N)C(=O)N1CCCO[C@@H](CNC(=O)c2cn[nH]c2)C1 1019539792 UKGGQLDPDLUYRW-JQWIXIFHSA-N 305.338 -0.083 30 20 DBED C[C@H](C#N)C(=O)N1CCCO[C@H](CNC(=O)c2cn(C)cn2)C1 1019566442 CZEHLVHKVFFIRG-VXGBXAGGSA-N 319.365 -0.073 30 20 DBED O=C(NC[C@@H]1CN(C(=O)C#CC2CC2)CCCO1)c1cnon1 1019655417 LISZUWIIPVWVJR-GFCCVEGCSA-N 318.333 -0.170 30 20 DBED C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C1 1023125951 ANZQSLYPILWUEN-DTORHVGOSA-N 312.761 -0.634 30 20 DBED C=CCN[C@H]1C[C@@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)C1 1023130252 GJDYMEWRZOHYPY-PHIMTYICSA-N 306.370 -0.597 30 20 DBED Cc1nn(C)cc1C(=O)N[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1O 1023217948 ICGWAFAYEGDDOE-GGZOMVNGSA-N 305.338 -0.810 30 20 DBED COCCn1cc(C(=O)N2C[C@@H]3CC[C@H](NCC#N)[C@H]3C2)nn1 1026261879 BCKHFNHIRDVULH-AVGNSLFASA-N 318.381 -0.112 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C2CC3(C2)NC(=O)NC3=O)C1 1033493405 ADHNXMDECGLFGW-LOIXOFCESA-N 306.366 -0.307 30 20 DBED CC#CCN1CC[C@H](N(C)C(=O)c2cn(C)c(=O)nc2O)C1 1033660856 PYBSXDNPXZVYNF-NSHDSACASA-N 304.350 -0.345 30 20 DBED N#CCN1CCO[C@@H](CNC(=O)[C@H]2CCCc3nn[nH]c32)C1 1035491684 YLVHDAWOAFTNMF-QWRGUYRKSA-N 304.354 -0.435 30 20 DBED C#CCCN1CCO[C@@H](CNC(=O)c2cncc(OC)n2)C1 1035537103 LVMPGMAIHPKIKH-LBPRGKRZSA-N 304.350 -0.061 30 20 DBED C=C(Cl)CN1CCO[C@H](CNC(=O)[C@@H]2CCC(=O)N2)C1 1035587185 YAPIRWXMYRGKIY-MNOVXSKESA-N 301.774 -0.166 30 20 DBED N#CCN1CC[C@H]1CNC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 1038248850 ZGPDGPHLZZTMMN-MNOVXSKESA-N 302.338 -0.523 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2CCN2Cc2nnn(C)n2)nc1 1038942683 JPIRUMBBHNFMDX-LBPRGKRZSA-N 311.349 -0.409 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)Cn3ccnc3)C2)cn1 1041081856 ROPVBGDJFJMFDJ-ZIAGYGMSSA-N 312.333 -0.484 30 20 DBED CC(F)(F)C(=O)NCC1(O)CN(C(=O)c2c[nH]c(C#N)c2)C1 1041138272 SURIMHQFVZSQFQ-UHFFFAOYSA-N 312.276 -0.155 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)C[C@@H]2CCCO2)C1 1041647285 GLBAUAHVKNSFOM-LBPRGKRZSA-N 312.366 -0.552 30 20 DBED CC[C@H](OC)C(=O)NCC1(O)CN(C(=O)CSCC#N)C1 1041905324 UEVLPHLAEQLIKG-JTQLQIEISA-N 315.395 -0.642 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)[C@@H](C)n2cccc2)C1 1042040181 QAASYIGDKKQIDP-CYBMUJFWSA-N 321.377 -0.059 30 20 DBED C=CCN1CC[C@H](N2CC(N(C)C(=O)c3cn(C)cn3)C2)C1=O 1042614124 BMQQBDPWOZMQAG-AWEZNQCLSA-N 317.393 -0.037 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(O)CN(C(=O)[C@@H](CC)OC)C1 1042807729 YCRHVXOWZRXHDL-RISCZKNCSA-N 314.382 -0.572 30 20 DBED O=C(C#CC1CC1)NCC1(O)CN(C(=O)C2CCC(O)CC2)C1 1042958150 FXXNTLAPGPBFSI-UHFFFAOYSA-N 320.389 -0.360 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)c2c(C)ncn2C)C1 1043474408 ABLNSWCCLLMDNO-UHFFFAOYSA-N 318.377 -0.165 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)c2csnn2)C1 1044094593 VMYGNHKWDDRIRU-UHFFFAOYSA-N 308.363 -0.355 30 20 DBED CCO[C@@H](C(=O)N1CC(O)(CNC(=O)[C@@H](C)C#N)C1)C(C)C 1045551325 HKZFJXPFYKKZRK-NWDGAFQWSA-N 311.382 -0.103 30 20 DBED C=CCCn1cc(C(=O)N[C@]2(C)CCN([C@@H](C)C(N)=O)C2)nn1 1046689736 NQCYUADMNOREFG-XHDPSFHLSA-N 320.397 -0.078 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2COC(=O)N2)C1 1047370968 VAXBGNQFKXVWDQ-UTLUCORTSA-N 303.746 -0.649 30 20 DBED C=CCCn1cc(C(=O)N(C)[C@H]2CN(CC#CC)C[C@@H]2O)nn1 1047558075 UTEYARMASAOHFO-GJZGRUSLSA-N 317.393 -0.005 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3nn[nH]c3C2)C1 1047593791 WGLVDKVNJDSSSO-UGFHNGPFSA-N 317.393 -0.564 30 20 DBED CCO[C@@H]1CN(C(=O)C(N)=O)C[C@H]1CN=c1cc[nH]cc1C#N 1047925518 MWPYXNGVXURJTA-DGCLKSJQSA-N 317.349 -0.864 30 20 DBED C=CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CC(=O)NC)C1 1048733389 JWCZGECRLAQROB-RYUDHWBXSA-N 311.382 -0.491 30 20 DBED C#CCO[C@H](C)C(=O)N(C)[C@H]1CN(C(=O)C#CC(C)C)C[C@@H]1O 1048852328 KXPQJNCGNDJSKX-ILXRZTDVSA-N 320.389 -0.286 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)Cc2ncc[nH]2)C[C@@H]1O 1049394335 JDIHHDWBEZNXCL-VWYCJHECSA-N 305.338 -0.858 30 20 DBED N#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)CN1CCC(=O)NC1=O 1049830060 DQUUHCDMMNPHRH-VXGBXAGGSA-N 319.365 -0.483 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCN(Cc3nnn(C)n3)CC2)C1 1050463739 ZBZUZVWFJJWPTE-LLVKDONJSA-N 303.370 -0.206 30 20 DBED CC#CCN1CCOC[C@@H]1CNC(=O)[C@@H]1CCN(C)C(=O)C1 1050989907 YURGXQNZTAIFMW-KGLIPLIRSA-N 307.394 -0.305 30 20 DBED N#Cc1cnc(NC2CC(CNC(=O)[C@@H]3CCC(=O)N3)C2)cn1 1051971709 KBCLAUUIFJJEJA-CBINBANVSA-N 314.349 -0.066 30 20 DBED C=CCOCC(=O)N1C[C@H](C)[C@H](CNC(=O)c2nnn(C)n2)C1 1052214424 KUHBVLPPYZVZGT-WDEREUQCSA-N 322.369 -0.763 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)[C@H]3CCNC(=O)C3)CO2)C1 1053774717 INWFJAXBYBSPBO-QWHCGFSZSA-N 305.378 -0.505 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)c3cn4cccnc4n3)CO2)C1 1053854922 AIZSSESJSOZZRT-LLVKDONJSA-N 312.333 -0.174 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)c3cn4cccnc4n3)CO2)C1 1053855489 OEFFWTNWJFYHAQ-LBPRGKRZSA-N 311.345 -0.064 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)[C@@H]3CCCN(C(N)=O)C3)CO2)C1 1053865231 ULTMTECSXROFCS-VXGBXAGGSA-N 321.381 -0.740 30 20 DBED N#CCN1CC[C@@]2(CCCN(C(=O)CN3CC(=O)NC3=O)C2)C1 1054215551 XZZOTYNDZBZMPH-HNNXBMFYSA-N 319.365 -0.624 30 20 DBED N#Cc1cccnc1N1C[C@H]2[C@H](NC(=O)[C@@H]3COC(=O)N3)[C@H]2C1 1056193993 JSRWIWHQNWGACT-WHOHXGKFSA-N 313.317 -0.388 30 20 DBED CCn1nncc1C(=O)N[C@H]1[C@@H]2CN(c3ccnc(C#N)n3)C[C@@H]21 1056202499 PPPSHYQOQONLFD-MSRIBSCDSA-N 324.348 -0.176 30 20 DBED CN(C)CCC(=O)NCCN(CCO)C(=O)CSCC#N 1057030156 LMLDHTDBCIGUEZ-UHFFFAOYSA-N 316.427 -0.868 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCCN(CCO)C(=O)c1ccon1 1057095125 RCYHRHMFLAKIAG-YPMHNXCESA-N 323.349 -0.184 30 20 DBED C#CCO[C@H](C)C(=O)NCCN(CCO)C(=O)c1ccnn1C 1057152457 FFNGETMHIDLFMZ-GFCCVEGCSA-N 322.365 -0.991 30 20 DBED C#CCOCCC(=O)NCCN(CCO)C(=O)c1n[nH]cc1C 1057530280 NJEDIAZIKIOYAN-UHFFFAOYSA-N 322.365 -0.691 30 20 DBED N#Cc1ccc(N2CCC[C@@H](NC(=O)[C@@H]3CCC(=O)N3)C2)nn1 1058180576 PDFRBLTUWHYUNZ-NEPJUHHUSA-N 314.349 -0.288 30 20 DBED N#Cc1nccnc1N1CC[C@H](NC(=O)C[C@H]2CCC(=O)N2)C1 1058396961 YNXWTBGJRUWHNQ-MNOVXSKESA-N 314.349 -0.288 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)CCCn1cncn1 1058657264 UWKBRGWKDMUNGY-GFCCVEGCSA-N 322.369 -0.845 30 20 DBED Cc1nc(C)c(C(=O)N(CCO)CCNC(=O)[C@H](C)C#N)[nH]1 1058863374 QYTNKTKGKAABKX-SECBINFHSA-N 307.354 -0.263 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1C[C@H](NC(=O)[C@@H]2COCCO2)C1 1059161350 INMXCLDSVNUVSJ-OBJOEFQTSA-N 302.334 -0.150 30 20 DBED O=C1NC[C@H](C(=O)NCC[C@H]2CCN(C(=O)C#CC3CC3)C2)N1 1059622739 OQWNXATVLTVVSZ-QWHCGFSZSA-N 318.377 -0.564 30 20 DBED C=CCCC(=O)N1CCOC[C@H]1CNC(=O)CN(C)C(C)=O 1061322395 CTGKYWDEGYCJSS-CYBMUJFWSA-N 311.382 -0.226 30 20 DBED C=CCCC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1COCCO1 1061397809 ZPSSLPWEPSOWHT-OLZOCXBDSA-N 312.366 -0.288 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)CCn1ccnc1 1061852674 LEUOUAIGDSXEFP-QWHCGFSZSA-N 319.365 -0.224 30 20 DBED C=CCCCC(=O)NC[C@@H]1CN(C(=O)CNC(N)=O)CCO1 1064836517 SAWCARSKQKPDOJ-LLVKDONJSA-N 312.370 -0.645 30 20 DBED C#CCCCC(=O)N1CCO[C@H](CNC(=O)c2cnn(C)n2)C1 1065095519 JLDLUJUZKATKLZ-GFCCVEGCSA-N 319.365 -0.424 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)c2cnon2)CCO1 1065506568 FCEXKJXGSXKOCG-NSHDSACASA-N 306.322 -0.314 30 20 DBED Cn1ncc(C(=O)N2C[C@@H]3CN(c4ccnc(C#N)n4)C[C@@H]3C2)n1 1066013559 RVZKLIOEAXVJIS-PHIMTYICSA-N 324.348 -0.315 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](CNC(=O)c3cnn[nH]3)C2)nc1 1067697782 NWYLJZPLBHAYAF-PWSUYJOCSA-N 313.321 -0.702 30 20 DBED C#CCO[C@H](C)C(=O)N1CCOC2(CN(C(=O)[C@@H](C)OC)C2)C1 1068397061 XDJBHLNRDCGJER-CHWSQXEVSA-N 324.377 -0.501 30 20 DBED N#Cc1cccnc1NC[C@H]1C[C@H](NC(=O)Cn2ncnn2)C1 1068531111 RBRAKVUDLZMAOV-UMSPYCQHSA-N 312.337 -0.053 30 20 DBED CC#CCCCC(=O)N1CC2(CC[C@H](CNC(=O)C(N)=O)O2)C1 1068618308 PRGXVZRMZZUPKH-GFCCVEGCSA-N 321.377 -0.459 30 20 DBED CC(=O)N1CC(C(=O)NCc2cnn3c2CN(CC#N)CC3)C1 1069859399 STHXKZSWENQNIZ-UHFFFAOYSA-N 316.365 -0.683 30 20 DBED C#CCNC(=O)CC(=O)NC1(C)CCN(C(=O)[C@H](C)C#N)CC1 1073228928 MDQUFGXINXHNJC-GFCCVEGCSA-N 318.377 -0.217 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)CCNC(N)=O)C(C)(C)C1 1073392644 VPQHGCPIQQTWMF-QWRGUYRKSA-N 323.397 -0.052 30 20 DBED CC#CCN1CCC2(C1)CN(C(=O)c1cn(C)c(=O)nc1O)C2 1073425200 IFLBVXJSOGMVCK-UHFFFAOYSA-N 316.361 -0.343 30 20 DBED CCN1CCOC[C@@H]1C(=O)NC[C@H]1CN(CC#N)CCCO1 1073669875 ABTDBQHCGZEBGV-UONOGXRCSA-N 310.398 -0.562 30 20 DBED C=CCCC(=O)N1CC[C@H](NC(=O)Cn2cnnn2)[C@H](C)C1 1073692770 QTXHMQVFNUVLQN-NEPJUHHUSA-N 306.370 -0.008 30 20 DBED CC#CCN1CCCO[C@@H](CNC(=O)c2c[nH]c(=O)cn2)C1 1073748311 CYQKGCZUHBUBNC-LBPRGKRZSA-N 304.350 -0.386 30 20 DBED C=CCCN1CCO[C@H]2CCN(C(=O)Cn3cnnn3)C[C@H]21 1074159758 JYUPXYDJBKMGJU-OLZOCXBDSA-N 306.370 -0.449 30 20 DBED N#CCN1CCO[C@@H]2CCN(C(=O)CCc3nc[nH]n3)C[C@@H]21 1074212180 LFQZXRBFPGYYGM-NWDGAFQWSA-N 304.354 -0.437 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)c1ccncc1 1075373643 MMILEARERLTDNY-LBPRGKRZSA-N 316.361 -0.154 30 20 DBED C=CCN1CC[C@@H](N2C[C@@H]3CCN(C(=O)COC)[C@@H]3C2)C1=O 1075465048 FIHLDCJSEHZISA-BFHYXJOUSA-N 307.394 -0.048 30 20 DBED C=CCn1cccc1C(=O)N[C@@H](C)CCNC(=O)CNC(N)=O 1075548057 LYCMWMJLBQIHSJ-NSHDSACASA-N 321.381 -0.033 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H](C)CCNC(=O)CC(=O)NCC 1076222467 HMEGWQXHDJANQD-NWDGAFQWSA-N 311.382 -0.438 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CN(Cc3csnn3)C[C@H]2O)c1 1076855699 IKFIJKYNDJADPM-VXGBXAGGSA-N 318.362 -0.287 30 20 DBED C[C@@H](CCNC(=O)CCNS(C)(=O)=O)NC(=O)[C@@H](C)C#N 1076887723 PKSOPIFOAIHUMA-UWVGGRQHSA-N 318.399 -0.904 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CN3CC4CC3(CO2)C4)C1 1077418139 KNJKCFTWCYCTNK-QJNCVLDKSA-N 321.421 -0.413 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2cc(Cn3cccn3)on2)C1 1077972540 GDSWCGXMBMHPHI-CHWSQXEVSA-N 316.321 -0.782 30 20 DBED Cn1cc(C(=O)N[C@@H]2C[C@@H](NCC#N)C23CCC3)c(O)nc1=O 1078805225 DQRFIVDPDAQYFF-GHMZBOCLSA-N 317.349 -0.360 30 20 DBED N#CCN[C@H]1C[C@H]2CC[C@H]1N(C(=O)CN1C(=O)CCC1=O)C2 1079102374 NPDHOVUQBWEAON-GRYCIOLGSA-N 304.350 -0.372 30 20 DBED C#CCCCC(=O)N(CC)C1CN(C(=O)[C@@H]2CN(C)C(=O)N2)C1 1079682050 NPNXSTBMSIGLFI-ZDUSSCGKSA-N 320.393 -0.127 30 20 DBED C#CCOCCC(=O)NC[C@H]1CN(C(=O)C(C)(F)F)C[C@@H]1O 1081487033 ZZIXLFVKUMDOPP-QWRGUYRKSA-N 318.320 -0.383 30 20 DBED C=CCCOCC(=O)NC[C@H]1CN(C(=O)COCC)C[C@@H]1O 1081566142 BOXSIYSEXUEJKF-STQMWFEESA-N 314.382 -0.449 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)Cn2ccnc2)C1 1081577174 JZTOXYQSQWHHMM-QWHCGFSZSA-N 306.366 -0.215 30 20 DBED CC(C)(C)C#CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cnon2)C1 1081684308 DSPLYJHBUXWLJW-CMPLNLGQSA-N 320.349 -0.332 30 20 DBED C#CCCN1C[C@@H](NC(=O)C[C@H]2CCCC(=O)N2)[C@H](OC)C1 1081924912 VIFYXZBSZGDVLT-MGPQQGTHSA-N 307.394 -0.116 30 20 DBED C#CCCN1C[C@@H](NC(=O)[C@@H]2CCNC(=O)CC2)[C@H](OC)C1 1081986785 WNMWSLNMZKHLAJ-BFHYXJOUSA-N 307.394 -0.259 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@H]2CC(=O)N(CC(C)C)C2)C1 1083503941 IQCWBWSTXYMRJA-ZNMIVQPWSA-N 321.421 -0.325 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)c2ccn(CCOC)n2)C1 1083630069 ZRVGCFFHIVNWIX-KGLIPLIRSA-N 306.366 -0.672 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)C[C@@H]2CCCCC(=O)N2)C1 1083998617 FZDMYUOCKZCUAK-MJBXVCDLSA-N 307.394 -0.380 30 20 DBED COc1c(O)nc(O)nc1C(=O)N1C[C@H]2CCN(CC#N)C[C@H]21 1084773153 FMFCSVZVNAMTCZ-RKDXNWHRSA-N 319.321 -0.434 30 20 DBED C#CCN[C@H]1C[C@H](CNC(=O)c2cn([C@@H]3CCOC3)nn2)C1 1086529256 KUHCGZONFYUSHD-JHJVBQTASA-N 303.366 -0.029 30 20 DBED Cn1cc([C@@H]2CN(C(=O)Cn3cccn3)C[C@H]2NCC#N)cn1 1086967042 JGTNWPMLSGRTQL-UONOGXRCSA-N 313.365 -0.276 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2ccc3c(c2)NC(=O)C3)[C@H](O)C1 1090278137 BCOMKGUTOLRVLP-UKRRQHHQSA-N 313.357 -0.021 30 20 DBED C=C(C)CCN1CC[C@H](NC(=O)C2CS(=O)(=O)C2)[C@@H](O)C1 1090291828 JYDIJCYQZDULNP-STQMWFEESA-N 316.423 -0.451 30 20 DBED Cc1nccc(N2C[C@@H](O)[C@H](NC(=O)CSCC#N)C2)n1 1090373685 LZBCXVILGVMITI-GHMZBOCLSA-N 307.379 -0.293 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2cccc3ncnn23)[C@H](O)C1 1090402418 HQPUXAKVLLGFSR-TZMCWYRMSA-N 313.361 -0.082 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2ccnc3[nH]nnc23)[C@H](O)C1 1090419023 CFSQDOVPYYVLDU-NWDGAFQWSA-N 314.349 -0.459 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2c(C)ncnc2O)[C@@H](O)C1 1090515466 TVYLYJWCIOZJOR-NEPJUHHUSA-N 304.350 -0.321 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CCN(CC(=O)N(C)C)C[C@H]2O)C1 1090553620 PDNPSNCKTNYTAX-CHWSQXEVSA-N 309.410 -0.018 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCN(CCCO)C[C@H]2O)nn1 1090633092 LRFPTTBUTMOZAB-WCQYABFASA-N 309.370 -0.989 30 20 DBED CCC(=O)NCC(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1C 1090669667 XZCCDDVYFXBPPN-ZYHUDNBSSA-N 316.365 -0.185 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2ccc(C(N)=O)cc2)[C@H](O)C1 1090802509 OYJVOSRKFLSDQO-LSDHHAIUSA-N 315.373 -0.026 30 20 DBED C#CCNC1CC(CNC(=O)[C@H]2C[C@H](OC)CN2C(C)=O)C1 1091166472 LFDAGBLCLATMBV-PFSRBDOWSA-N 307.394 -0.260 30 20 DBED CCOCCC(=O)N[C@H]1CCN(c2ccnc(C#N)n2)C[C@H]1O 1092153809 MVDOXSUNNMMILD-NWDGAFQWSA-N 319.365 -0.169 30 20 DBED CC(=O)N[C@H](C)C(=O)NCC1CC(N=c2cc[nH]c(C#N)n2)C1 1092186518 QRULFYHZAPJUPZ-OIKLOGQESA-N 316.365 -0.399 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)[C@@H]3COCCO3)c3nccn32)C1 1092343864 LROLSKFSHRHFKU-NEPJUHHUSA-N 317.349 -0.606 30 20 DBED CC(=O)N[C@H](C)C(=O)NC1[C@H]2CN(c3ccnc(C#N)n3)C[C@H]12 1093206912 ARBRSHFNYFVASC-MIMYLULJSA-N 314.349 -0.576 30 20 DBED CS(=O)(=O)C1(C(=O)NCCNc2ccc(C#N)nn2)CCC1 1093826772 AESBLJHBGUJMNH-UHFFFAOYSA-N 323.378 -0.156 30 20 DBED N#Cc1nc(=NCCNC(=O)c2cnn(CCF)c2)cc[nH]1 1093980945 KBIPLTSCQUJCJS-UHFFFAOYSA-N 303.301 -0.222 30 20 DBED N#Cc1nccnc1NCCCNC(=O)C[C@H]1CCC(=O)N1 1094494488 OPYYPMBSMAEVGL-SNVBAGLBSA-N 302.338 -0.065 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)c3cncs3)CC2=O)C1 1094711684 LKCPOGNIQVLNNS-JTQLQIEISA-N 304.375 -0.209 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)[C@@H]3CCO[C@H]3C=C)CC2=O)C1 1094789063 WCBAXLSVHNRDFB-YUELXQCFSA-N 317.389 -0.388 30 20 DBED C[C@H](NC(N)=O)C(=O)N1CCC[C@@H](Nc2ccc(C#N)nn2)C1 1095290886 PFKBQMFJRWWCHE-GXSJLCMTSA-N 317.353 -0.192 30 20 DBED Cc1cc(C#N)nc(N(C)CCCNC(=O)Cn2ncnn2)n1 1095645263 JWJDZYHOPPVUAD-UHFFFAOYSA-N 315.341 -0.714 30 20 DBED CCS(=O)(=O)CC(=O)NC[C@@H](C)Nc1nccnc1C#N 1097900012 GRBYVPWBFPOTCA-SECBINFHSA-N 311.367 -0.300 30 20 DBED CCS(=O)(=O)CC(=O)NC[C@H](C)Nc1ccc(C#N)nn1 1097900335 MFQMPGXZAFFUHQ-VIFPVBQESA-N 311.367 -0.300 30 20 DBED C[C@@H](CNC(=O)c1ccc2nn[nH]c2n1)N=c1cc[nH]c(C#N)n1 1098341941 IQFZMGVHOXFYJR-QMMMGPOBSA-N 323.320 -0.333 30 20 DBED C#CCN(CCO)C1CCN(C(=O)C2(C(=O)NC)CCC2)CC1 1098540306 BZHZCOOILZBREA-UHFFFAOYSA-N 321.421 -0.179 30 20 DBED C[C@@H](CCNC(=O)[C@H]1CCC(=O)N1)N=c1cc[nH]cc1C#N 1098931133 ZILOTWIDTUQJAS-GXFFZTMASA-N 301.350 -0.040 30 20 DBED N#CCNC(=O)CN1CC[C@H](NC(=O)CC2CCCC2)[C@@H](O)C1 1099630693 QFSJOWUGXCLDNR-KBPBESRZSA-N 322.409 -0.242 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)CN(C)C(C)=O)[C@H](O)C1 1099689220 DUDNCHIGOBWBCG-UONOGXRCSA-N 313.398 -0.781 30 20 DBED C#CCOCCC(=O)N[C@H]1CCN(CC#CCOC)C[C@H]1O 1099832555 JCTHGPGZBHUAEK-LSDHHAIUSA-N 308.378 -0.773 30 20 DBED C=CCN1CC[C@H](NC(=O)CCn2ccccc2=O)[C@H](O)C1 1099858920 TYCSBDHATRLXCJ-UONOGXRCSA-N 305.378 -0.024 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)c2cn(CC)nn2)[C@@H](O)C1 1100053186 LKMMTGDFILZQOR-OCCSQVGLSA-N 323.397 -0.334 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CCc2cncn2C)[C@H](O)C1 1100094939 VHQHLNBIKOXOIX-HUUCEWRRSA-N 304.394 -0.073 30 20 DBED C=CCOCCNC1CC(CNC(=O)C2CS(=O)(=O)C2)C1 1100357517 ZEAPXPAJBZYKOI-UHFFFAOYSA-N 316.423 -0.282 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCN(C)c1ccnc(C#N)n1 1100388460 MFFXZBFVMDTOOJ-ZDUSSCGKSA-N 312.377 -0.002 30 20 DBED CCN(CCNC(=O)[C@H](C)NC(N)=O)c1ccc(C#N)nn1 1100501159 XSBYBAKKKUZATQ-VIFPVBQESA-N 305.342 -0.652 30 20 DBED CCN(CCNC(=O)[C@H]1CN(C)C(=O)N1)c1ccc(C#N)cn1 1100684792 XCDTYIHUSHERAJ-GFCCVEGCSA-N 316.365 -0.081 30 20 DBED CN(CCN=c1cc[nH]cc1C#N)C(=O)[C@@H]1COCCN1C 1101564044 CQQJKPKYHPMCRV-AWEZNQCLSA-N 303.366 -0.424 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)CNC(C)=O)c3nccn32)C1 1101604456 VPDOETXGJQZSAD-GFCCVEGCSA-N 301.350 -0.776 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)[C@@H]1CCNC(=O)C1 1103911300 SYYFOIZLGFNNPY-GHMZBOCLSA-N 316.365 -0.539 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CCN(C)C1=O)CNc1ccc(C#N)nn1 1104158797 CIMVDRDDAJVNBZ-PWSUYJOCSA-N 316.365 -0.009 30 20 DBED CC(C)[C@@H](CNC(=O)c1nnn(C)n1)N=c1cc[nH]cc1C#N 1105265913 HNAHDKVKCZPMAM-GFCCVEGCSA-N 314.353 -0.235 30 20 DBED C#CCNCc1cn(C2CN(C(=O)[C@H]3OCC[C@H]3C)C2)nn1 1105329912 DPXMASUPGXBRJT-RISCZKNCSA-N 303.366 -0.191 30 20 DBED CN(C)C(=O)CC(=O)N(C)CCN(C)c1cnc(C#N)cn1 1105575803 VHJSILMPRRGPPY-UHFFFAOYSA-N 304.354 -0.279 30 20 DBED COCC#CCN1CC(OC2CCN(C(=O)CC(N)=O)CC2)C1 1105698692 OPKXOBRRAHFPTH-UHFFFAOYSA-N 323.393 -0.797 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H](O)CNC(=O)c1cnsn1 1105723740 VMDPRKGMKGAQQU-SECBINFHSA-N 304.335 -0.571 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNc1cncc(C(=O)N(C)C)n1 1105773990 OOIRBTDGRPVHDS-UWVGGRQHSA-N 320.353 -0.773 30 20 DBED COc1cc(C(=O)NC[C@@H](O)CNc2nccnc2C#N)on1 1105794356 FKOHEYAYIPJEQA-QMMMGPOBSA-N 318.293 -0.452 30 20 DBED Cc1nc(NC[C@H](O)CNC(=O)[C@H](C)NC(N)=O)ccc1C#N 1105810176 PONQRXZZNVTIBL-ONGXEEELSA-N 320.353 -0.793 30 20 DBED C=CCCOCC(=O)NC[C@@H](O)CNc1cnc(C#N)cn1 1105889263 BEDCWVABLQRIHX-LBPRGKRZSA-N 305.338 -0.170 30 20 DBED C=CCO[C@H](C)C(=O)NC[C@H](O)CNc1cncc(C#N)n1 1105892222 SGIUGZNXJMSEKN-ZYHUDNBSSA-N 305.338 -0.172 30 20 DBED CCn1ccc(C(=O)NC[C@H](O)CNc2cncc(C#N)n2)n1 1105982151 KLSDZSGTAYOXPF-LLVKDONJSA-N 315.337 -0.233 30 20 DBED Cc1nc(NC[C@H](O)CNC(=O)C(C)(C)C(N)=O)ccc1C#N 1105997642 XXRDBKYLNFGSCH-NSHDSACASA-N 319.365 -0.338 30 20 DBED CO[C@@H](C(=O)NC[C@H](O)CN=c1cc[nH]cc1C#N)C(C)C 1106092833 NZAOEVFREJRDLK-TZMCWYRMSA-N 306.366 -0.065 30 20 DBED Cc1cc(C#N)nc(NC[C@H](O)CNC(=O)c2ccnnc2)n1 1106113301 AJZWBOQUGWDVRT-GFCCVEGCSA-N 313.321 -0.351 30 20 DBED C[C@H](CC(=O)N[C@H](C)CCN=c1cc[nH]c(C#N)n1)NC(N)=O 1106446492 ISMSKPZGJYTZOE-NXEZZACHSA-N 319.369 -0.476 30 20 DBED COC(=O)[C@@H]1C[C@@H]1C(=O)NC/C=C/CN=c1cc[nH]c(C#N)n1 1107080325 LXRXEBLRCFZAAG-ZROCKMJXSA-N 315.333 -0.336 30 20 DBED N#Cc1cnc(NC/C=C/CNC(=O)C[C@H]2CCNC2=O)cn1 1107375143 NALCNJFJKCBALN-FMBMQGQPSA-N 314.349 -0.041 30 20 DBED C[C@H](CNc1ccc(C#N)nn1)NC(=O)[C@@H]1COCCN1C 1107694286 LNBCSTYNVHDJJX-PWSUYJOCSA-N 304.354 -0.405 30 20 DBED C[C@]1(CNC(=O)c2cn3c(n2)COCC3)CN(CC#N)CCO1 1108027380 UFKDLYAQWVGVSI-HNNXBMFYSA-N 319.365 -0.242 30 20 DBED C#CCNC(=O)CN1CCO[C@](C)(CNC(=O)[C@@H]2CC23CC3)C1 1108241389 ZVDWVROUDOUQBO-XJKSGUPXSA-N 319.405 -0.257 30 20 DBED CC(=O)N1CCC(C(=O)NC[C@@]2(C)CN(CC#N)CCO2)CC1 1108388175 XVMMEKUHNGJVDJ-INIZCTEOSA-N 322.409 -0.024 30 20 DBED C#CCN1CCN(C(=O)[C@H](C)OCC)[C@@H]2CS(=O)(=O)C[C@@H]21 1108460253 QZTCEJGONWIEHE-RWMBFGLXSA-N 314.407 -0.646 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)C[C@](C)(O)C3CC3)CC2=O)C1 1108536994 LEQPWKYEARSLPJ-GUYCJALGSA-N 319.405 -0.428 30 20 DBED N#CCN1CC(N2C[C@@H](NC(=O)[C@H](F)C(F)(F)F)CC2=O)C1 1108548795 WTISSPVVWSHHQS-XVKPBYJWSA-N 322.262 -0.188 30 20 DBED CCS(=O)(=O)NCC(=O)N1C[C@H]2C[C@@H](NCC#N)C[C@H]1C2 1108699878 PBRRLJMZWHIMBP-QJPTWQEYSA-N 314.411 -0.582 30 20 DBED C#CCCN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CS(=O)(=O)NC)C2 1108823412 MISKIMIPSWLEJV-AVGNSLFASA-N 313.423 -0.472 30 20 DBED CC(C)[C@@H](O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1110521854 BLWDCDVTIDUCSE-NRWUCQMLSA-N 308.382 -0.635 30 20 DBED N#Cc1ccc(N2CC[C@@](O)(CNC(=O)C#CC3CC3)C2)nn1 1111071197 SHLPXSJKFHFDNY-MRXNPFEDSA-N 311.345 -0.181 30 20 DBED CO[C@@H](C)CC(=O)N(CCO)CCN=c1cc[nH]c(C#N)n1 1111433965 SIJHEHVCTIGTCU-NSHDSACASA-N 307.354 -0.572 30 20 DBED CN(CCCN(C)c1ccc(C#N)nn1)C(=O)CNC(N)=O 1112033938 ITGFHCISFCNEPU-UHFFFAOYSA-N 305.342 -0.699 30 20 DBED COC(=O)NCC(=O)N(C)CCCN(C)c1nccnc1C#N 1112035077 MZNAJYGBMRQAMZ-UHFFFAOYSA-N 320.353 -0.011 30 20 DBED C[C@H]1CN(C(=O)CCCC(N)=O)C[C@@H]1N=c1cc[nH]c(C#N)n1 1112318481 QSGDNGYSSQCSLJ-QWRGUYRKSA-N 316.365 -0.315 30 20 DBED Cc1cc(C#N)nc(N2CC[C@H](NC(=O)CC(N)=O)[C@H](C)C2)n1 1112396483 WDZAVTKIKMIBBS-SKDRFNHKSA-N 316.365 -0.137 30 20 DBED C=CCCCN1CCN(C(=O)CN(C)S(C)(=O)=O)CC1 1112915151 CCQVWYOQGBEILJ-UHFFFAOYSA-N 303.428 -0.012 30 20 DBED C[C@@H](N=c1cc[nH]c(C#N)n1)[C@@H](C)NC(=O)CS(C)(=O)=O 1112926960 WMAQRSCMQMIHMW-RKDXNWHRSA-N 311.367 -0.880 30 20 DBED C=CCOCCN1CCN(C(=O)CN2CCOCC2=O)CC1 1112969483 JKQYWRAVCMLNRG-UHFFFAOYSA-N 311.382 -0.808 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)c2c(C)cnn2C)CC1 1113218257 XCJJFDMGOCYTTD-CYBMUJFWSA-N 317.393 -0.376 30 20 DBED C=CCCCN1CCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)CC1 1113401762 QLQBKFVGGUUUGE-UHFFFAOYSA-N 322.365 -0.483 30 20 DBED C[C@@H](CNC(=O)CN1CCOCC1)N(C)c1ccc(C#N)nn1 1113557966 ADZFZYKUIGPPAJ-LBPRGKRZSA-N 318.381 -0.379 30 20 DBED C[C@H](CNC(=O)Cn1ncnn1)N(C)c1ccc(C#N)nc1 1113723917 YMPPPYJRGVPPAF-SNVBAGLBSA-N 300.326 -0.419 30 20 DBED C=CCOCCN1C[C@H]2[C@H](NC(=O)CS(C)(=O)=O)[C@H]2C1 1113974169 QMQWMTBBZIYBMG-PJXYFTJBSA-N 302.396 -0.720 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3cncnc3)[C@H]2C1 1114157221 AVRDGWHGIBREOB-IMRBUKKESA-N 301.350 -0.561 30 20 DBED C#CCOCCC(=O)NC1[C@@H]2CN([C@@H]3CCN(C)C3=O)C[C@@H]12 1114269031 VGMKHXJSENKUGB-JHJVBQTASA-N 305.378 -0.697 30 20 DBED C=CCN1C[C@@H]2C(NC(=O)CS(=O)(=O)CCOC)[C@H]2C1 1114477035 CHJBMJDVISGEJY-QWRGUYRKSA-N 302.396 -0.720 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)c3n[nH]cc3F)[C@@H]2C1 1114787827 YIEVTGXWFPHPPG-IVZWLZJFSA-N 321.356 -0.101 30 20 DBED COCCn1cc(NC(=O)C(=O)N[C@@H](C)CC#N)ccc1=O 1116728883 BFBKILIXTZHRKY-JTQLQIEISA-N 306.322 -0.148 30 20 DBED C=C(C)COCCNC(=O)C(=O)N1CCC[C@H](CC(N)=O)C1 1117558282 VRDHDSLPJRFPOJ-GFCCVEGCSA-N 311.382 -0.191 30 20 DBED C#CC1CCN(C(=O)C(=O)N2CCC(NC(=O)NC)CC2)CC1 1118188890 KCWVJYPLRVWFQV-UHFFFAOYSA-N 320.393 -0.222 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 1118280165 SKSUKJHMNOXWNI-CYBMUJFWSA-N 306.278 -0.366 30 20 DBED CNC(=O)NCC(=O)N(C)C[C@@H](C)N=c1cc(C)[nH]cc1C#N 1120817490 LILNMVPMTRWTGQ-LLVKDONJSA-N 318.381 -0.129 30 20 DBED Cc1cc(C(=O)NC[C@@H](CO)N=c2cc[nH]c(C#N)n2)n(C)n1 1121150061 GKIYTLPHUCPZLG-JTQLQIEISA-N 315.337 -0.985 30 20 DBED CCNC(=O)CC(=O)NC[C@H](CO)Nc1nc(C)ccc1C#N 1121465689 UBNLTZSFKVKWFI-GFCCVEGCSA-N 319.365 -0.323 30 20 DBED Cc1ccnc(C(=O)NC[C@H](CO)Nc2cnc(C#N)cn2)n1 1121506850 YZZGIHOFQNQUAT-LLVKDONJSA-N 313.321 -0.351 30 20 DBED C#CCN(CC)c1nnc(-c2cn(C)c(=O)n(C)c2=O)n1C 1121511390 OXBAUPUXZGJSLF-UHFFFAOYSA-N 302.338 -0.661 30 20 DBED Cc1c[nH]nc1C(=O)NC[C@H](CO)N=c1cc[nH]cc1C#N 1121528183 IUFRTXORNXSKDN-LLVKDONJSA-N 300.322 -0.391 30 20 DBED C=CCO[C@H](C)C(=O)NC[C@@H](CO)Nc1ncnc2[nH]cnc12 1121748518 BVULRTAIRSOLQV-ZJUUUORDSA-N 320.353 -0.167 30 20 DBED N#Cc1nccnc1N[C@H](CO)CNC(=O)Cc1cnoc1 1122391323 NYBXRHYIKXSIEL-JTQLQIEISA-N 302.294 -0.532 30 20 DBED CC(=O)NCC(=O)N[C@H]1CCCN(c2ccnc(C#N)n2)[C@@H]1C 1123514146 OLLXICGZZXVHJL-PWSUYJOCSA-N 316.365 -0.042 30 20 DBED C=CC(C)(C)C(=O)N(C)C[C@@H](O)CNc1ccc2nnnn2n1 1124684042 YDOSMBUQNPZMQB-JTQLQIEISA-N 319.369 -0.037 30 20 DBED C[C@@H](C#N)C(=O)NCCNCc1nc(O)c2cnn(C)c2n1 1124897108 RSKAGEJSVGCBHY-QMMMGPOBSA-N 303.326 -0.566 30 20 DBED C[C@H](C#N)C(=O)NCCN[C@H]1CCCN(c2ccn(C)n2)C1=O 1124902828 NHFAIYHALWXLGY-NEPJUHHUSA-N 318.381 -0.219 30 20 DBED COCc1noc(CNCCNC(=O)c2ccc(C#N)[nH]2)n1 1125776726 WTTNTXSRMORNRU-UHFFFAOYSA-N 304.310 -0.065 30 20 DBED C=CCNC(=O)CNCCNC(=O)Cc1cn2c(n1)CCCC2 1127797292 IGFLHAYNDPFSAA-UHFFFAOYSA-N 319.409 -0.230 30 20 DBED C=CCNCc1nnc2n1CC[C@@H](NC(=O)CC(N)=O)CC2 1127985397 WMFKSQLYKULYMT-JTQLQIEISA-N 306.370 -0.750 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)CCc1ccnn1C 1128486309 VXANXHGMWPXWJS-LBPRGKRZSA-N 307.398 -0.251 30 20 DBED C=CCC(C)(C)C(=O)N[C@@H]1CN(CC(N)=O)C[C@@H]1n1ccnn1 1129294991 ZBZBSQLTGSSWKB-NEPJUHHUSA-N 320.397 -0.293 30 20 DBED CC#CCN1C[C@H]2C[C@@H]3CN(C(=O)CC(=O)NCC)C[C@@]3(C1)O2 1131220744 QOVKYYUQHWPWBM-CKEIUWERSA-N 319.405 -0.162 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)[C@H]2CCC(=O)N2C)C1=O 1132764838 ZHMJLRPEHJGDQI-NWDGAFQWSA-N 308.382 -0.900 30 20 DBED COCC#CCN1CCC2(C1)CN(C(=O)c1cnnn1C)C2 1147455682 NVGPZFXZWZNSDU-UHFFFAOYSA-N 303.366 -0.387 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(Cc2cnon2)CCCO1 1149383529 HYQFSEAFURZOTH-CYBMUJFWSA-N 310.354 -0.021 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN([C@H](C)C(=O)NC)CCCO1 1149384747 WTZLDIUVPWNIBP-CHWSQXEVSA-N 313.398 -0.469 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)[C@H](NC(N)=O)C(C)(C)C)C1 1150607509 UWLFDDZYLNVOSP-OLZOCXBDSA-N 324.425 -0.090 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)C1CCOCC1 1151538319 JKRWZJZXHLEENT-GFCCVEGCSA-N 310.398 -0.121 30 20 DBED CCN(CCNS(C)(=O)=O)[C@H](C)CNC(=O)C#CC1CC1 1153281764 ZBLJUJCZNIVJPO-GFCCVEGCSA-N 315.439 -0.224 30 20 DBED C[C@@H](C#N)C(=O)NCCCNCc1nc(O)c2cnn(C)c2n1 1155836146 KLUHIFWPBLSRPF-VIFPVBQESA-N 317.353 -0.176 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)c1nnn(C)c1C 1156093757 JQHBOHCDDBEZTG-JTQLQIEISA-N 308.386 -0.476 30 20 DBED C=CCOCC(=O)NCCC1=CCN(CC(=O)NCC#N)CC1 1159601224 NPTGOAVFCKACFA-UHFFFAOYSA-N 320.393 -0.033 30 20 DBED C=CCNC(=O)NC(=O)CNCCCNC(=O)c1conc1C 1165676494 CFEQWRZVRNAANL-UHFFFAOYSA-N 323.353 -0.296 30 20 DBED CNC(=O)NC(=O)CNCCCC[C@H](C)NC(=O)[C@@H](C)C#N 1169848064 MWAKGMSJVTZYMM-QWRGUYRKSA-N 311.386 -0.134 30 20 DBED CC#CCNCCCC[C@H](C)NC(=O)[C@@H]1CCS(=O)(=O)N1 1176639398 UWFNWRJETJAOBE-STQMWFEESA-N 315.439 -0.034 30 20 DBED CC(C)=CC(=O)N1CC[C@H]2OCCN(CC(=O)NCC#N)[C@H]2C1 1176899486 AJGIZFNKQABVEX-UONOGXRCSA-N 320.393 -0.106 30 20 DBED C#CCNC(=O)CNC[C@H]1C[C@H]2CC[C@H]1N(C(=O)COCC)C2 1177614287 NVPFONZTZHVSMM-RBSFLKMASA-N 321.421 -0.011 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)c2cn(C)cn2)[C@H]1C 1178468240 YJTJYRIINQNWSA-AVGNSLFASA-N 317.393 -0.249 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](NCc2n[nH]c(C)n2)[C@@H]1C 1178508727 QNBUHZBEGDQMEY-JQWIXIFHSA-N 318.381 -0.668 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@H](NCC(=O)N2CCC2)[C@@H]1C 1178679065 XUYDOKLIRXEOHQ-IHRRRGAJSA-N 307.394 -0.164 30 20 DBED C=CCOCCN[C@@H]1CCN(C(=O)CNS(=O)(=O)CC)C1 1182992517 SQEVTYRZRCVKNW-GFCCVEGCSA-N 319.427 -0.681 30 20 DBED C#CCNC[C@@H]1CN(C(=O)CNC(N)=O)CC12CCOCC2 1186244774 AHJFWGFTFYTHCC-GFCCVEGCSA-N 308.382 -0.867 30 20 DBED CN(CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 1189687503 NUUWRSQQXXTRBT-SNVBAGLBSA-N 318.337 -0.772 30 20 DBED CCn1c(C)nnc1CN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)C#N)C1 1191855073 WBMZCMCVXKMOTF-MVWJERBFSA-N 306.370 -0.573 30 20 DBED C#CCCN(C)[C@H]1CCN(C(=O)[C@H]2CCN(C)S2(=O)=O)C1 1192794637 MTPBZDDCFZRQQK-QWHCGFSZSA-N 313.423 -0.424 30 20 DBED Cc1cnc(C(=O)N2CCCN(CC(=O)NCC#N)CC2)cn1 1194714103 MAWLDPCJOWXQIR-UHFFFAOYSA-N 316.365 -0.427 30 20 DBED COCC#CCN1CCCN(C(=O)[C@@H]2CN(C)CCO2)CC1 1195404229 NXRASBHSZHORJX-HNNXBMFYSA-N 309.410 -0.499 30 20 DBED C#CCNC(=O)CC(=O)N1CCCN(CCOCC=C)CC1 1195588438 HVLWDADAHTWAAF-UHFFFAOYSA-N 307.394 -0.137 30 20 DBED C#CCNC(=O)[C@H](C)N1CCCN(C(=O)CC(=O)NCC)CC1 1195588592 NXSDCBBHKQVSCN-ZDUSSCGKSA-N 322.409 -0.815 30 20 DBED C=CCNC(=O)[C@H](C)N1CCCN(C(=O)c2cnn[nH]2)CC1 1196401020 GSDUMUGYEUBYRX-NSHDSACASA-N 306.370 -0.357 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2cnn(CCCOC)c2)C1 1197644157 JJKMJPNKPOKFJU-ZIAGYGMSSA-N 306.366 -0.672 30 20 DBED Cc1ccc(C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@H]2O)cc1 1198080612 GADBZDGYGZXCGB-ZIAGYGMSSA-N 316.361 -0.590 30 20 DBED CC(C)N(C)CC(=O)N1CCCN(CC(=O)NCC#N)CC1 1198275026 XOBOIINCQIQLSD-UHFFFAOYSA-N 309.414 -0.499 30 20 DBED C#CCNC(=O)[C@H](C)NC1CCN(C(=O)C2=COCCO2)CC1 1199178160 TUIFEXMYTUBBFX-LBPRGKRZSA-N 321.377 -0.407 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(Cc2ncnn2C)C[C@H]1O 1199292391 IRLUVSDAZLLCSI-VXGBXAGGSA-N 309.370 -0.931 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CN(CCOCCOC)C[C@H]1O 1199315406 YOBBMLPEAYKQOS-BFHYXJOUSA-N 316.398 -0.598 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H](CCCC)NC(N)=O)C1 1199344746 HPWRECUKKHYEFG-JHJVBQTASA-N 310.398 -0.602 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC(NCc2cnnn2C)CC1 1200532616 VMOXXTJCUZHQHH-LBPRGKRZSA-N 305.382 -0.066 30 20 DBED C#CCNC(=O)[C@H](C)NC1CCN(C(=O)[C@@H](C)CC(N)=O)CC1 1201984320 FWLFMURDVWLVLI-RYUDHWBXSA-N 322.409 -0.784 30 20 DBED C=CCOCCN[C@@H]1C[C@H](NC(=O)Cn2ncnn2)C12CCC2 1202920517 MGEUGNPKVAEACG-OLZOCXBDSA-N 320.397 -0.107 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)[C@H]2CCCO2)CC1 1204385244 KULGTONRGABMFM-CQSZACIVSA-N 307.394 -0.257 30 20 DBED CN(CC(=O)N1C[C@H]2CC[C@H]1[C@H](NCC#N)C2)S(C)(=O)=O 1204399172 LTQBOQMWZBPLHX-TUAOUCFPSA-N 314.411 -0.630 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)Cn2cncc2C)[C@H](C)C1 1208004686 ADMMYWDVZYVCAD-TZMCWYRMSA-N 317.393 -0.623 30 20 DBED C=CCOCCN1C[C@@H](NC(=O)CNC(=O)CC)[C@H](OC)C1 1212043203 AZRLCZGYZPDCOW-CHWSQXEVSA-N 313.398 -0.469 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)CSCCC)C1 1219268162 ZSCOLZYQLKFESC-NEPJUHHUSA-N 315.439 -0.407 30 20 DBED CCc1ccc(C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@@H]2O)o1 1219884409 BOWTTYHCLRLPSS-NEPJUHHUSA-N 320.349 -0.743 30 20 DBED C=CCC[C@@H](C)N1C[C@H](O)[C@H](NC(=O)C(=O)NCC(F)F)C1 1219926035 ICHMEIPTIXNAMZ-MXWKQRLJSA-N 319.352 -0.116 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)Cc2cncn2C)C1 1220757364 BNLPRZQJBYCGCN-KGLIPLIRSA-N 308.382 -0.674 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)Cc2[nH]cnc2C)C1 1220852693 SQURFUHUABVMDL-KGLIPLIRSA-N 306.366 -0.928 30 20 DBED C#CCCN1CC[C@@H]2CN(C(=O)CN(C)C(=O)COC)[C@@H]2C1 1221591414 BZNHJIRKKAKOKQ-ZIAGYGMSSA-N 307.394 -0.353 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)c2nonc2C)C1 1222104942 NYKATSUCKHLCQO-VXGBXAGGSA-N 319.365 -0.290 30 20 DBED COCC#CCN1CCC(CNC(=O)[C@H]2CCCNC2=O)CC1 1223533448 JMZICUBNNDDHPK-HNNXBMFYSA-N 321.421 -0.009 30 20 DBED C#CCCN1CCC(CNC(=O)CC[C@@H]2NC(=O)NC2=O)CC1 1225377672 GQUOACARJRZNBH-ZDUSSCGKSA-N 320.393 -0.174 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)CC(N)=O 1227940057 FDTDAVIDPAFSSH-JHJVBQTASA-N 324.425 -0.183 30 20 DBED C=C(C)CN1CCC(NC(=O)C[C@H](NC(C)=O)C(N)=O)CC1 1229477365 ZCUYWQFIPZEDBF-ZDUSSCGKSA-N 310.398 -0.477 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCOC1 1231102992 MDABRWYXLZAVSZ-ZIAGYGMSSA-N 307.394 -0.305 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)C[C@@H]1COC(=O)C1 1233653444 LMSFCFSLFMBZNG-QWHCGFSZSA-N 321.377 -0.778 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(F)cn1 1256010340 VSUVBFCBHCNBOC-UHFFFAOYSA-N 315.326 -0.124 30 20 DBED C=CCn1cc(CNC(=O)C(=O)NCc2cnn(C)c2C)nn1 1261446748 HWDDLOZNVCCUDO-UHFFFAOYSA-N 317.353 -0.561 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N1CCC[C@@H](CC(N)=O)C1 1320868123 RXKUUVJBOFKDFH-NSHDSACASA-N 317.411 -0.116 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)Nc1ccc(-n2cnnn2)cc1 1321242429 XOXQKZDMZGNLCM-SNVBAGLBSA-N 316.321 -0.082 30 20 DBED C#CCNC(=O)C1CCN(C(=O)C(=O)NCCCCC#N)CC1 1323195403 YJLDBZFCESHKQX-UHFFFAOYSA-N 318.377 -0.216 30 20 DBED C#CCCCC(=O)N(C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 1324592344 BJXWOKIPUQWGRW-LLVKDONJSA-N 300.380 -0.448 30 20 DBED CC[C@]1(CO)CCCN1C(=O)C(=O)N1CC[C@](O)(CC#N)C1 1327024597 OGSXCETZSQEZHK-HUUCEWRRSA-N 309.366 -0.373 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)Nc2nc3c(s2)COCC3)CCO1 1327303673 NOCZUXTWFQPABL-MRVPVSSYSA-N 322.346 -0.095 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)NCCc2ccc(O)cc2)CCO1 1327591621 KERKGCLAAQSUQJ-ZDUSSCGKSA-N 303.318 -0.198 30 20 DBED N#Cc1cccc(NC(=O)C(=O)NC[C@@H]2CCCNC2=O)n1 1329297884 GDPVTSTZOYJLJX-VIFPVBQESA-N 301.306 -0.466 30 20 DBED CS(=O)(=O)c1ccc(C(=O)NCC#CCO)c([N+](=O)[O-])c1 1329906881 YJWJRLBFFKOADY-UHFFFAOYSA-N 312.303 -0.276 30 20 DBED C=CCOCc1nnc(N2CC[C@@H]3OCC(=O)N[C@H]3C2)n1C 1341543077 KFFQFMGKHROABO-QWRGUYRKSA-N 307.354 -0.389 30 20 DBED C=CCn1c([C@H](O)COC)nnc1N1CCO[C@@H](COC)C1 1342470844 DMONMWNSIAJDQG-VXGBXAGGSA-N 312.370 -0.005 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@H](C)[C@@H]1CCOC1 1347187142 WMRXMHBYDUWDIO-GHMZBOCLSA-N 318.395 -0.755 30 20 DBED C=C[C@H](CO)NC(=O)[C@H]1CCCCN1C(=O)c1ccc(O)nn1 1347877095 JCBSHKAWSZNTGF-ZYHUDNBSSA-N 320.349 -0.160 30 20 DBED C#CCSCCn1nnnc1N1CCCS(=O)(=O)CC1 1355605154 CZKYXPSOIQLTHV-UHFFFAOYSA-N 315.424 -0.336 30 20 DBED CNS(=O)(=O)N1CCC(C(=O)N[C@@H]2CC[C@H](C#N)C2)CC1 1362921289 WDWOZOZPZYOVOD-CMPLNLGQSA-N 314.411 -0.029 30 20 DBED N#Cc1cn(CCC(=O)N2CCC[C@@H](C#N)C2)c(=O)nc1O 1363550093 BQAMHAWDDKQMMA-JTQLQIEISA-N 301.306 -0.027 30 20 DBED Cn1c(=O)[nH]c(N2CCN(c3ncccn3)CC2)c(C#N)c1=O 1364531881 JDOJUJRCRMARBA-UHFFFAOYSA-N 313.321 -0.938 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)CN(C)C(=O)C2CC2)C1 1372520280 DHDIRXAEVKMGMS-JQWIXIFHSA-N 306.366 -0.268 30 20 DBED C=C(Cl)CNC[C@@H](NC(=O)CN1CCNC(=O)C1)C1CC1 1375239093 GPZOMFFLEIHBST-GFCCVEGCSA-N 314.817 -0.345 30 20 DBED CNC(=O)CCCC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H](C)C#N)C1 1390429753 TVUPNVCLJZRBNU-NHYWBVRUSA-N 324.381 -0.858 30 20 DBED Cc1nnc(N2CC[C@](F)(C#N)C2)n1CCNS(C)(=O)=O 1390905029 JITAJPWSZSWYDX-NSHDSACASA-N 316.362 -0.422 30 20 DBED COCCc1nc(CN2CC(CNC(=O)[C@H](C)C#N)C2)no1 1391474736 NKWBTVKZMXNKJB-SNVBAGLBSA-N 307.354 -0.034 30 20 DBED CNC(=O)NC(=O)CNCC(C)(C)CN(C)C(=O)[C@H](C)C#N 1403057555 PDTJMOLTHNUWPE-SNVBAGLBSA-N 311.386 -0.324 30 20 DBED CNC(=O)NCCC(=O)NC1CN(C(=O)c2ccc(C#N)[nH]2)C1 1409048453 ZICFUTXVYOIKFZ-UHFFFAOYSA-N 318.337 -0.854 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H](O)CNC(=O)[C@@H]2CC23CC3)c1 1410101527 VSPWVXAUIBIQKD-MNOVXSKESA-N 302.334 -0.107 30 20 DBED C[C@H](NC(N)=O)C(=O)NCC1(C)CCN(C(=O)[C@H](C)C#N)CC1 1411085357 IWLLDPSVHBJNRX-MNOVXSKESA-N 323.397 -0.052 30 20 DBED CO[C@@H]1CCC[C@@H]1C(=O)NCCn1cc(C#N)c(O)nc1=O 1413311994 ZIGSYCIBZREHSU-WDEREUQCSA-N 306.322 -0.248 30 20 DBED CCC(=O)NCC(=O)NC[C@@H](C)CNC(=O)c1ccc(C#N)[nH]1 1416450650 SCPPYXXMYWDTEW-SNVBAGLBSA-N 319.365 -0.105 30 20 DBED C=C(Cl)CNC[C@@H](O)CNC(=O)c1cc(OC)n(C)n1 1420149657 FRCSFVWOFLIHQN-SECBINFHSA-N 302.762 -0.139 30 20 DBED CC(=O)NCC(C)(C)C(=O)N1CCN(C(=O)[C@H](C)C#N)CC1 1427336659 LEJJHKKLFLDCMZ-LLVKDONJSA-N 308.382 -0.021 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CCN(C)C(=O)C2)C1 1430183659 RZHONUKVFNFFGG-WRWGMCAJSA-N 306.366 -0.222 30 20 DBED CC(C)OCCC(=O)NC[C@H](O)CNC(=O)c1c[nH]c(C#N)c1 1433344865 ZFVLTIUTVUNRHG-ZDUSSCGKSA-N 322.365 -0.092 30 20 DBED C[C@H](NC(=O)CCn1cc(C#N)c(O)nc1=O)[C@@H]1CCOC1 1433950440 RRJUMDYGJYCMEN-VHSXEESVSA-N 306.322 -0.248 30 20 DBED COCCN(CCNC(=O)c1cncn1C)C(=O)[C@@H](C)C#N 1452156957 BEDCBRSALWFCLQ-NSHDSACASA-N 307.354 -0.215 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@@H]1CCN(C(=O)CCn2cncn2)C1 1453610653 CFQAOISGOVXKBH-NWDGAFQWSA-N 304.354 -0.113 30 20 DBED C=C(Cl)CN1CC[C@](O)(CNC(=O)C2CN(C(C)=O)C2)C1 1484213459 LSPVQQPKNHTSGI-AWEZNQCLSA-N 315.801 -0.230 30 20 DBED C=CCn1c(CO)nnc1N1CCN(S(=O)(=O)CC)CC1 1520541213 LHDHRZSDCJYBAX-UHFFFAOYSA-N 315.399 -0.572 30 20 DBED CC(C)[C@@H](CNC(=O)CN1CCOCC1=O)NC(=O)[C@@H](C)C#N 1532767678 YBUJSUMMKXHEPA-NWDGAFQWSA-N 324.381 -0.738 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H](C)CCN=c1cc[nH]c(C(=O)O)n1 1573310933 FINAYIVRXAKBOV-QWRGUYRKSA-N 320.349 -0.058 30 20 DBED C=C[C@@](C)(O)CC(=O)NC1CC(CNC(=O)CNC(=O)O)C1 1573347918 QDUPMRLZMRQSSJ-RPFQZYLTSA-N 313.354 -0.408 30 20 DBED C=CCN1CC[C@@H](NC[C@@H](NC(=O)CNC(=O)O)C2CC2)C1=O 1573369302 XSMMUJYUSJOHPW-VXGBXAGGSA-N 324.381 -0.475 30 20 DBED CC(C)N1CC[C@H](Nc2cnc(C#N)c(-c3nn[nH]n3)n2)C1=O 1574284838 VZQRMWUGMWNFDG-QMMMGPOBSA-N 313.325 -0.050 30 20 DBED CCOC(=O)[C@H](COC)NC(=O)C1CC2(CNC[C@@H]2C#N)C1 1578026293 QMIUEJQPHPNXEY-WVIDZAQPSA-N 309.366 -0.180 30 20 DBED COC(=O)CNC(=O)[C@H]1CCCN1C(=O)[C@H](N)CCCC#N 1578812103 JEYFHYXANCTSCH-GHMZBOCLSA-N 310.354 -0.712 30 20 DBED C=C(CCC(=O)O)C(=O)N[C@@H](CC1OCCO1)C(=O)OC 1588622223 RQOHLYFHJFPSHK-VIFPVBQESA-N 301.295 -0.172 30 20 DBED C[C@H](C(=O)N1CCC(C#N)(C(=O)O)CC1)n1cnc(C#N)n1 1589345719 GDPMOYLOESPVGH-SECBINFHSA-N 302.294 -0.072 30 20 DBED COCC#CCN[C@@H](C)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 1591362779 XNGLMHMTKXAGFF-JTQLQIEISA-N 317.353 -0.448 30 20 DBED N#Cc1ncc(N2CCN3C[C@@H](F)C[C@H]3C2)nc1-c1nn[nH]n1 1592708541 YVSLQFLBQZCOLK-IUCAKERBSA-N 315.316 -0.239 30 20 DBED C=CCOC[C@H](NC(=O)[C@]12C[C@H]3C[C@@H](C(=O)N1)[C@H]2C3)C(=O)O 1602909680 CMQSTLPZXPKVMT-TVSZNTQPSA-N 308.334 -0.327 30 20 DBED CCN(CCC#N)S(=O)(=O)N(CCN(C)C)CC(=O)O 1603736398 CVBCMEDYSMSXOZ-UHFFFAOYSA-N 306.388 -0.585 30 20 DBED Cn1ccnc1[C@H](C#N)C(=O)Cn1nc2n(c1=O)CCCC2 1646841503 JHJXAAPCEFLUGS-SNVBAGLBSA-N 300.322 -0.009 30 20 DBED C[C@@H]1CN(C(=O)CN(C)CCCNC(=O)[C@H](C)C#N)CCO1 1751951899 ARLJBLOPCJTFBG-CHWSQXEVSA-N 310.398 -0.169 30 20 DBED N#CCNC(=O)CNC[C@H]1CCCN(C(=O)[C@H]2CCCOC2)C1 1752795349 YRUSCFICFVTSKU-KGLIPLIRSA-N 322.409 -0.119 30 20 DBED CC#CCN(C)[C@@H]1CCCN(C(=O)CN2CCOCC2=O)C1 1752992411 LNDINAZDOHUXAB-CQSZACIVSA-N 307.394 -0.209 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC(CNC(=O)c2ccc(C#N)[nH]2)C1 1753400093 XEYLIOWRYBMJCL-LLVKDONJSA-N 313.361 -0.314 30 20 DBED C#CCN[C@H](C)[C@@H]1CCCN(C(=O)Cn2ccc(O)nc2=O)C1 1753796254 ITLZBZIROLZEBE-CHWSQXEVSA-N 318.377 -0.201 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)CCN(C)C(=O)CN1CC[C@H](C)C1 1753863381 VRDORJSXUWPVFW-LSDHHAIUSA-N 322.453 -0.144 30 20 DBED Cc1cc2[nH]c(=O)c(C(=O)N(C)CCN(C)CC#N)cn2n1 1753865798 JJDJUCLXMHFJFM-UHFFFAOYSA-N 302.338 -0.142 30 20 DBED C=CCNC(=O)CNC[C@H]1CCC[C@H]1NC(=O)c1cnon1 1753900397 XQHTWUUGROFTNB-GHMZBOCLSA-N 307.354 -0.140 30 20 DBED C=CCNC(=O)CNC/C=C\CNC(=O)[C@@H]1CCN(C)[C@@H]1C 1754122114 WRTBISXLPQUOKC-HLMASZERSA-N 308.426 -0.109 30 20 DBED CC(C)(C(=O)NC/C=C\CNCC(=O)NCC#N)c1cnc[nH]1 1754195424 SWPKMQGWYNDXIU-ARJAWSKDSA-N 318.381 -0.411 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H](C)CNCc1cn(CC)nn1 1754229893 XSKMBNNCBSFJRH-HIFRSBDPSA-N 318.425 -0.010 30 20 DBED C#CCNC1(CNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)CCOCC1 1754738771 LLYUTCYRKSAQPY-SOUVJXGZSA-N 322.405 -0.074 30 20 DBED CC(C)C#CC(=O)N1C[C@@H]2CN(CC(=O)NCC#N)C[C@@H]2C1 1754842013 GCUDIZSURLZWJA-OKILXGFUSA-N 302.378 -0.324 30 20 DBED CC[C@]1(C(=O)NC[C@@H]2CCC3(CN(CC#N)C3)O2)CCNC1=O 1755054854 WOQKIOINNWVBIS-LRDDRELGSA-N 320.393 -0.224 30 20 DBED COCC#CCN[C@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@@H]1C 1755114742 VZMARXFXQULVAF-AAEUAGOBSA-N 304.350 -0.530 30 20 DBED CC(C)C#CC(=O)N[C@@H](C)[C@@H](C)NCC(=O)N1CCNC(=O)C1 1755253405 KLRBTDSYONYATL-OLZOCXBDSA-N 322.409 -0.913 30 20 DBED CN(CC(C)(C)CNCC(=O)NCC#N)C(=O)Cc1cnoc1 1755283921 AKJFVUHPVFDSNU-UHFFFAOYSA-N 321.381 -0.069 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H](C)N(C)Cc1nnnn1C 1755304414 YUOAYDLBSMYRGT-STQMWFEESA-N 319.413 -0.756 30 20 DBED C#CCNC(=O)CN(C)[C@@H](C)CNC(=O)c1cnn(C)c1CC 1755306900 UGAWPSINRGFPKX-LBPRGKRZSA-N 319.409 -0.218 30 20 DBED C#CCOCCC(=O)NC1(CCO)CN(Cc2n[nH]c(C)n2)C1 1755332133 ZSMPTKAANXXZKD-UHFFFAOYSA-N 321.381 -0.794 30 20 DBED C=C(C)CCNC[C@@H](O)CN(C)C(=O)[C@H]1CCS(=O)(=O)N1 1755795858 LAEDMIOUDLSSBX-VXGBXAGGSA-N 319.427 -0.947 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](C)C1CN(C(=O)C(=O)NCC2CC2)C1 1756156535 PXQPEGYYWBKKRB-VHSXEESVSA-N 306.366 -0.365 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H](CO)CNC(=O)c1cnnc(C)c1 1756515242 IGGKWIHYYUUZBH-WCQYABFASA-N 320.349 -0.970 30 20 DBED C=C[C@@H](CC)CC(=O)NC[C@@H](CO)NC(=O)c1nnn(C)c1C 1756544404 ZZLHVPGYZMUKRJ-RYUDHWBXSA-N 323.397 -0.067 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](CO)NC(=O)CCN(C)C 1756549806 GSDRIGDTHXFKDV-UPJWGTAASA-N 313.398 -0.878 30 20 DBED C=C[C@](C)(CC)C(=O)NC[C@@H](O)CN(C)C(=O)Cn1cncn1 1756680213 VPKIOYIUNPVBPC-IUODEOHRSA-N 323.397 -0.184 30 20 DBED C=CCCC(=O)N1CC2(CCN(C(=O)CNC(=O)NC)C2)C1 1756829394 VZCQZVAILXYSIR-UHFFFAOYSA-N 308.382 -0.058 30 20 DBED COC[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C#CC(=O)O)C2 1793673937 GLIRCDRKDYLLDN-FVCCEPFGSA-N 322.361 -0.005 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)CC(=O)NC)C1 1841560503 WASLSKDZFYXCLW-LBPRGKRZSA-N 321.377 -0.636 30 20 DBED N#CCCC(=O)N1CCCC12CN(C(=O)CN1CCOC1=O)C2 1842812129 QVCWNRVNFGRUGI-UHFFFAOYSA-N 320.349 -0.054 30 20 DBED C#CCNC(=O)COC(=O)c1cccc(S(=O)(=O)NC)c1 7182806 AYDPOYQRPYJVQH-UHFFFAOYSA-N 310.331 -0.499 30 20 DBED CC#CCNC(=O)[C@@H](C)NS(=O)(=O)c1c(C)nn(C)c1C 121469540 NAGJJHXDNAPXBV-SNVBAGLBSA-N 312.395 -0.157 30 20 DBED C=CCNC(=O)NC(=O)CN1CCC[C@@H](N2CCNC2=O)C1 138997214 OATJQPBLZOSSQI-LLVKDONJSA-N 309.370 -0.512 30 20 DBED C#CCOc1cccc(NC(=O)C(=O)NCCNC(C)=O)c1 264579541 XKZJUMBXFKRLGB-UHFFFAOYSA-N 303.318 -0.111 30 20 DBED C[C@H](O)CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 269385798 AIAJCROKPULLJL-VHSXEESVSA-N 311.363 -0.278 30 20 DBED CN1CCN/C1=N\C[C@@H](O)CS(=O)(=O)c1cccs1 285017312 IYRNXUYDUWSOFG-SECBINFHSA-N 303.409 -0.226 30 20 DBED CCc1nc2n(n1)C[C@H](N/C(O)=N/C[C@@]1(O)CCOC1)CC2 328853939 SRFOOCPXMZZFHA-YGRLFVJLSA-N 309.370 -0.190 30 20 DBED CN(C)C(=O)CN1CCC(/N=C(/O)[C@@H]2COCCN2C)CC1 328920047 AXPDEEGNQWRODN-ZDUSSCGKSA-N 312.414 -0.174 30 20 DBED C[C@@H](/C(O)=N/C1CC1)N1CCN(C(=O)Cn2cnnn2)CC1 328991051 DDFXROKHJHRHBH-JTQLQIEISA-N 307.358 -0.675 30 20 DBED C[C@H]1CN(/C(O)=N/C[C@@H]2CCCN2C)CCN1S(C)(=O)=O 329225215 GAJBNRYTXSDSDW-RYUDHWBXSA-N 318.443 -0.040 30 20 DBED C[C@H](N/C(O)=N/C[C@@H]1CC[C@H](C(=O)N(C)C)O1)C(=O)N(C)C 331096932 ATJPBNANYLTPTE-GARJFASQSA-N 314.386 -0.398 30 20 DBED CC(C)(C)NC(=O)[C@H]1CSCN1C(=O)Cn1cnc(C#N)n1 331157727 QEIYXCGKUCYQGF-SECBINFHSA-N 322.394 -0.034 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@H]1CC[C@@H](C(N)=O)O1 336942989 LADAVFNEYASYCV-MXWKQRLJSA-N 318.399 -0.665 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N[C@@H]2CCC[C@H]2CCO)CCO1 337192491 UCVNRCWMDUBIOW-QJPTWQEYSA-N 303.384 -0.404 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)COc2cnn(C)c2)CC1 337363897 JZDMUNNZNYCGJD-UHFFFAOYSA-N 321.381 -0.755 30 20 DBED Cc1cccc2c(=O)n(CC(=O)NCC(=O)NCC#N)cnc12 344154984 LWBFRBUBIKRAQZ-UHFFFAOYSA-N 313.317 -0.539 30 20 DBED COC(=O)c1cn(CC(=O)Nc2cc(C)n(CCC#N)n2)nn1 348932675 ZWAYRTRLKAPPAV-UHFFFAOYSA-N 317.309 0.122 30 20 DBED CC(C)COC[C@@H](O)CNC(=O)NCCn1cnc(C#N)n1 357885420 WSHJVFCXFZXOAY-NSHDSACASA-N 310.358 -0.518 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2C[C@@H]3OCCC[C@@H]32)C1=O 373677148 ULHSMVQDLYGNHD-MXWKQRLJSA-N 321.333 -0.353 30 20 DBED N#C[C@H]1N(C(=O)CN2CC(=O)NC2=O)CCC[C@]12CCCCO2 377280325 ZNKVPZSZNSOGKI-IAQYHMDHSA-N 320.349 -0.008 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@H](CN)CC(C)C)C1=O 419973803 HBGUTCWDFFYHFH-QWHCGFSZSA-N 324.425 -0.279 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@H](OC)C(C)C)CC1 490986022 PSZYQGKSRVXNPD-OAHLLOKOSA-N 309.410 -0.059 30 20 DBED COCCN(CCC#N)S(=O)(=O)NC1CN(C(=O)OC)C1 495643648 CHAVVNBKMXZIKS-UHFFFAOYSA-N 320.371 -0.867 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(C[C@H]2CCCOC2)c1=O 531875929 XTBWYTZUVIDYFT-GFCCVEGCSA-N 307.350 -0.030 30 20 DBED C[C@H](C(=O)N[C@@H]1CC(=O)N2CCCC[C@H]12)n1cnc(C#N)n1 554754286 PWBOSXOCLAEUKZ-GMTAPVOTSA-N 302.338 -0.020 30 20 DBED COCCN(CCC(=O)O)S(=O)(=O)N(C)[C@@H](C)CC#N 578898362 VSWHPWQLPNPIOW-JTQLQIEISA-N 307.372 -0.112 30 20 DBED COC(=O)[C@H]1C[C@H](O)CN(C(=O)NC2CCN(CC#N)CC2)C1 591952033 PGGAXJJGYJSDGB-AAEUAGOBSA-N 324.381 -0.460 30 20 DBED N#C[C@H]1CN(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)O)C2)CCO1 592457250 DLZFKPHEQXBWRK-UTLUCORTSA-N 303.340 -0.702 30 20 DBED CCCCS(=O)(=O)NCC(=O)N1CC[C@@](O)(CC#N)C1 592847217 JWYUMYPYFUQAJP-LBPRGKRZSA-N 303.384 -0.417 30 20 DBED Cc1cccc(=O)n1C[C@](C)(O)C(=O)N1CC[C@@](O)(CC#N)C1 592850711 YJOACVHASSDSSV-HOTGVXAUSA-N 319.361 -0.215 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)C1 592851661 DSCKZBLFTPYOCT-BFQNTYOBSA-N 317.345 -0.185 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 595262377 GEPFRXLNUZDLHN-RQJABVFESA-N 322.409 -0.079 30 20 DBED N#C[C@H]1CN(S(=O)(=O)N2CCO[C@@H]3CCC[C@@H]32)CCO1 599426046 VTXVIFBYMQQHKI-SDDRHHMPSA-N 301.368 -0.291 30 20 DBED N#Cc1ccc(OC[C@H](O)CNCCN2CC[C@@H](O)C2)cc1 600759452 QIGVQPSSANUNCD-HUUCEWRRSA-N 305.378 -0.046 30 20 DBED C[C@@H](CNC(=O)N1CCN(CCC#N)CC1)S(C)(=O)=O 601588754 MLFXUCIWOAWEDD-NSHDSACASA-N 302.400 -0.340 30 20 DBED CC(C)[C@H](C#N)N1CCN(C(=O)CCNS(C)(=O)=O)CC1 604560258 LKGWJWWITNJSQH-LBPRGKRZSA-N 316.427 -0.382 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)[C@@H](CCC)S(N)(=O)=O)C1=O 614393923 LIKXYUZTHFOAGB-WDEREUQCSA-N 317.411 -0.311 30 20 DBED CC#CC[C@H](CO)NC(=O)CN1C(=O)NC2(CCCC2)C1=O 649194327 ZQAUSTDQKCPING-LLVKDONJSA-N 307.350 -0.259 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@@H](NC(=O)O)C(C)C)CC1 736080296 SGAQMGCVVMGFNX-ZDUSSCGKSA-N 324.381 -0.828 30 20 DBED COc1cc(C#N)ccc1S(=O)(=O)NC(=O)CNC(C)=O 766981209 DOEAQONWNPNBRI-UHFFFAOYSA-N 311.319 -0.492 30 20 DBED CC(C)N1CCN(C(=O)C(=O)Nc2cnn(CC#N)c2)CC1=O 780276074 CDFKPTPVZOZDSF-UHFFFAOYSA-N 318.337 -0.576 30 20 DBED C#CCOCCNC(=O)C(=O)Nc1cccc(S(C)(=O)=O)c1 785160983 PXKQDPRKRTWASQ-UHFFFAOYSA-N 324.358 -0.205 30 20 DBED C#CCNS(=O)(=O)N1CCN(C[C@H]2CC[C@@H](C)O2)CC1 789355587 GHVNPLIZTLXJAJ-CHWSQXEVSA-N 301.412 -0.361 30 20 DBED C[C@](C#N)(CC(=O)O)C(=O)N1CCO[C@H](Cn2cncn2)C1 819824509 YQGQIEPQVDTSAX-GXFFZTMASA-N 307.310 -0.490 30 20 DBED C=C(C)CONC(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1 846536583 RAGIYSLRRWWECV-SECBINFHSA-N 302.356 -0.289 30 20 DBED COCCNC(=O)[C@@H](C#N)C(=O)C1CCN(C(=O)OC)CC1 850757217 HRTQJWWBWSJMCV-NSHDSACASA-N 311.338 -0.064 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccccn2)CC1 871738741 SZKJGDGJXZYXEG-UHFFFAOYSA-N 323.378 -0.301 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)NCCc1cnccn1 875100158 JPOCMXXWNIDJKW-LBPRGKRZSA-N 304.350 -0.320 30 20 DBED COC(=O)CN(CC#N)C(=O)[C@@H]1CC[C@H](C(F)(F)F)NC1=O 906748236 AYZOWZMVVDRWGO-HTQZYQBOSA-N 321.255 -0.031 30 20 DBED CCN(C[C@H](C)C#N)C(=O)COC(=O)CS(=O)(=O)CC 920596486 SVXJCZNNLXRSOF-SNVBAGLBSA-N 304.368 -0.028 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@H](N(C)C(=O)[C@@H]2CNC(=O)N2)C1 939009269 ZNKRXQQOUOYIGV-QWRGUYRKSA-N 308.382 -0.061 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](NC(=O)[C@H](C)N2CCOCC2)C1 941477956 UKUCKQMJHPSCNR-RWMBFGLXSA-N 308.382 -0.416 30 20 DBED CO[C@@H](C)C(=O)N1CCO[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 944535281 QRFHRRWEPOKFPX-JQWIXIFHSA-N 320.349 -0.122 30 20 DBED C=CCCN1CC[C@@H](NC(=O)CN2CCNC(=O)C2)C[C@H]1C 947619927 KVJQKJMFHGTDAS-ZIAGYGMSSA-N 308.426 -0.037 30 20 DBED Cn1cnc(C(=O)N2CC[C@@H]2CNC(=O)c2cc(C#N)c[nH]2)n1 949282947 CMYBTYXMXQKTHX-SNVBAGLBSA-N 313.321 -0.341 30 20 DBED Cn1cnc(C(=O)NC[C@@H]2CCN2C(=O)c2c[nH]c(C#N)c2)n1 949743543 MWMSWTNXSYXJAI-NSHDSACASA-N 313.321 -0.341 30 20 DBED CCN1C[C@H](C(=O)NC[C@H]2CCN2C(=O)C#CC2CC2)CC1=O 950403971 JXBDSBALGIXQTM-ZIAGYGMSSA-N 317.389 -0.015 30 20 DBED CN(C(=O)c1c[nH]c(C#N)c1)C1CN(C(=O)Cn2nccn2)C1 954106957 PJUBYALHPAIPPI-UHFFFAOYSA-N 313.321 -0.539 30 20 DBED C=CCN1C[C@@H](O)[C@@H](CNC(=O)c2c(C)c(C)nn(C)c2=O)C1 958309771 QPKPBPTZLFZWLN-QWHCGFSZSA-N 320.393 -0.394 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2c(C)nn(C)c2OC)C1 958447267 ASQLSSQNWVCWSC-VXGBXAGGSA-N 306.366 -0.607 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2ccnc(N(C)C)c2)C1 958453053 KCSKEFPTVLLGGG-UONOGXRCSA-N 302.378 -0.197 30 20 DBED C#CCCN1C[C@H](O)[C@H](CNC(=O)c2cn(CCC=C)nn2)C1 958467570 JLELKNUTKTZLNT-HIFRSBDPSA-N 317.393 -0.100 30 20 DBED C#CCCN1C[C@H](CNC(=O)c2cccn(C)c2=O)[C@@H](O)C1 958599387 PKQBYXUHSMYQJP-JSGCOSHPSA-N 303.362 -0.569 30 20 DBED CCc1cc(C(=O)N(C)[C@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)n[nH]1 958633808 ZLWRLUFCSPEKDQ-XDTLVQLUSA-N 319.365 -0.225 30 20 DBED C#CCCN1C[C@@H](O)[C@H](CNC(=O)c2cnn(CCOC)c2)C1 958635654 NVKSLZVPTKBDFU-UKRRQHHQSA-N 320.393 -0.425 30 20 DBED Cc1c[nH]nc1C(=O)N(C)[C@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1O 958842709 OAENNJWPWVIXAG-MIMYLULJSA-N 305.338 -0.479 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H]2CN(C(=O)Cc3ccon3)C[C@@H]21 960880078 IKYFHVUGXONIOB-KGYLQXTDSA-N 318.333 -0.185 30 20 DBED C#CCNC1CC2(C1)CC(NC(=O)c1nnc(O)nc1O)C2 964227814 ZAODILZGEYJFDW-UHFFFAOYSA-N 303.322 -0.453 30 20 DBED C=CCn1cccc1C(=O)N1C[C@H](C)[C@H](NC(=O)C(N)=O)C1 966520311 IFFNJRREXRSFDA-WDEREUQCSA-N 304.350 -0.264 30 20 DBED CC[C@@]1(C(=O)N2CC[C@]3(CN(CC#N)CCO3)C2)CCNC1=O 972420758 BRPBMNSBQYCNCT-JKSUJKDBSA-N 320.393 -0.270 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)[C@H]3CCCCC(=O)N3)[C@H]2C1 977163356 JJBBFNBFDANVOZ-YCGPCKTQSA-N 318.377 -0.222 30 20 DBED C#CCN1C[C@@H]2C(CNC(=O)[C@@H]3CN(C(C)=O)CCO3)[C@H]2C1 979014692 MKGLVAKUMNGHAP-KFWWJZLASA-N 305.378 -0.839 30 20 DBED C[C@@]12CN(CC#N)C[C@]1(C)CN(C(=O)CN1C(=O)CNC1=O)C2 982785131 UTOROUZHIUZEBL-GASCZTMLSA-N 319.365 -0.768 30 20 DBED C[C@@H]1[C@@H](NCC#N)CCN1C(=O)Cn1[nH]cc2c(=O)ncnc1-2 987192308 ZWZHIUHOMFURIC-KOLCDFICSA-N 315.337 -0.826 30 20 DBED C#CCN1CCC(C(=O)N2CC[C@H](NCC(N)=O)[C@@H]2C)CC1 987577609 VGDCUXDMVJDCDM-JSGCOSHPSA-N 306.410 -0.604 30 20 DBED C#Cc1cncc(C(=O)N2CC(NC(=O)c3ncn(C)n3)C2)c1 991180592 VOIBUGIQYIFLGH-UHFFFAOYSA-N 310.317 -0.554 30 20 DBED C=CCn1cc(C(=O)N2CC(NC(=O)Cc3ccc[nH]3)C2)nn1 992645267 ZFGNGGQYKQMYNF-UHFFFAOYSA-N 314.349 -0.025 30 20 DBED CN(C(=O)c1cc(C#N)c[nH]1)C1CC(N[C@@H]2CCNC2=O)C1 998605010 SUUBDHIGZPEJQF-HTAVTVPLSA-N 301.350 -0.033 30 20 DBED CC#CCN1CCC(CNC(=O)c2cnc(O)n(C)c2=O)CC1 1001713365 XIJXVDLDWUGWFI-UHFFFAOYSA-N 318.377 -0.049 30 20 DBED C[C@H](C#N)C(=O)N1CC(CNC(=O)[C@@H]2CCNC(=O)CC2)C1 1003344609 CSEDWKGBIWBPIR-PWSUYJOCSA-N 306.366 -0.363 30 20 DBED C[C@H](NC(=O)c1c[nH]c(=O)cn1)C1CN(C(=O)[C@H](C)C#N)C1 1006736474 FYJDIKBTIATINW-BDAKNGLRSA-N 303.322 -0.494 30 20 DBED C#CCCN1CCC[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C1 1007456915 HVDQUMZZNOFNOK-ZDUSSCGKSA-N 318.377 -0.849 30 20 DBED CC(C)(C(N)=O)C(=O)N1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 1010925238 LKGGCSVZHFWHCK-UHFFFAOYSA-N 317.349 -0.318 30 20 DBED C=C[C@](C)(CC)C(=O)N1C[C@@H]2C(NC(=O)Cn3cnnn3)[C@H]2C1 1012754190 JDOZDYHXVVCZBV-ZIBATOQPSA-N 318.381 -0.152 30 20 DBED N#Cc1c[nH]c(C(=O)N2C[C@@H]3C(NC(=O)c4nc[nH]n4)[C@H]3C2)c1 1013582703 DLYBGFVAWWIOFW-IUCAKERBSA-N 311.305 -0.495 30 20 DBED C#CCN1CCC2(CC1)C[C@@H]2NC(=O)c1cn(C)c(=O)cn1 1016741289 VHBPLQBDTMDSAG-ZDUSSCGKSA-N 300.362 -0.002 30 20 DBED C[C@H](C#N)C(=O)N1CC=C(CNC(=O)[C@H]2CN(C)CCO2)CC1 1017357523 YIFXGPKBJVYYCE-TZMCWYRMSA-N 320.393 -0.248 30 20 DBED Cc1cc2[nH]c(=O)c(C(=O)N[C@H]3C[C@H](NCC#N)C3)cn2n1 1020752223 QNCPIFPQTWQVPH-MGCOHNPYSA-N 300.322 -0.295 30 20 DBED C#CCN1[C@H]2CC[C@H]1CC(NC(=O)Cn1c(O)nnc1O)C2 1021447569 QRMXYZXJPFIKAR-QWRGUYRKSA-N 305.338 -0.566 30 20 DBED C=CCN1CC[C@@H](N[C@H]2C[C@@H](NC(=O)c3cn(C)nn3)C2)C1=O 1022042855 OCBXMOVMTQRIHE-GRYCIOLGSA-N 318.381 -0.548 30 20 DBED O=C(N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O)[C@@H]1CCCOCC1 1023546672 RFQYJVDQSRSIRO-RBSFLKMASA-N 320.389 -0.096 30 20 DBED C[C@H](NC(=O)C1CC(=O)NC(=O)C1)[C@@H]1CCCN(CC#N)C1 1025562943 WHZCQUACCOVOFP-WDEREUQCSA-N 306.366 -0.221 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)c3cc(C)[nH]n3)C2)C1=O 1030136806 OVJYDCYVRHGBFD-CYBMUJFWSA-N 303.366 -0.081 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)c3ncn(C)n3)C2)C1=O 1030278448 LOSOYYXVUHSRAQ-NSHDSACASA-N 304.354 -0.984 30 20 DBED N#Cc1ccc(CN2CC(NC(=O)[C@H]3CNC(=O)N3)C2)c(F)c1 1030878814 XLJINVJCLHLNSE-CYBMUJFWSA-N 317.324 -0.321 30 20 DBED CN1CC[C@@H](N2CC(CNC(=O)c3c[nH]c(C#N)c3)C2)C1=O 1031623501 HDFRXIVKAORBNP-CYBMUJFWSA-N 301.350 -0.221 30 20 DBED N#CCN1CC(CNC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1 1031771552 SFGSQSVMDRAZMJ-ZJUUUORDSA-N 307.272 -0.096 30 20 DBED CC#CCN1CC(CNC(=O)c2cc(=O)n3[nH]cnc3n2)C1 1032127670 BYAHYUAXCICUJP-UHFFFAOYSA-N 300.322 -0.898 30 20 DBED C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)CN1C(=O)C(=O)N(C)C1=O 1032661589 CCBYYDGFQUWSMO-QWRGUYRKSA-N 320.349 -0.732 30 20 DBED C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1nc(O)nc(O)c1OC 1032730044 RUDHNGGGVLWKTK-UWVGGRQHSA-N 318.333 -0.182 30 20 DBED CN(C(=O)[C@@H]1CCc2nnn(C)c2C1)[C@@H]1CCN(CC#N)C1 1033362326 LOBGNAXBHDVYKF-VXGBXAGGSA-N 302.382 -0.024 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCCCN([C@@H](C)C(N)=O)C2)nn1 1034433390 WHTFJQPPELJJSZ-NWDGAFQWSA-N 320.397 -0.078 30 20 DBED C=CCN1CCO[C@H](CNC(=O)c2cc(C(N)=O)cn2C)C1 1035436171 OMMSZONALBLQJA-GFCCVEGCSA-N 306.366 -0.259 30 20 DBED N#CCN1CC[C@@H]2CN(C(=O)CCN3C(=O)CCC3=O)CC[C@H]21 1036766307 WWCIJOHDHJMVBO-CHWSQXEVSA-N 318.377 -0.028 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@](O)(CNC(=O)c2cnco2)C1 1040392318 LLQCUHNPRXEAEQ-NHYWBVRUSA-N 321.333 -0.594 30 20 DBED Cn1cnc(C(=O)N2CC[C@H]3CN(c4ccc(C#N)nn4)C[C@H]32)n1 1040602752 CQMIXOQLHLHLFD-CMPLNLGQSA-N 324.348 -0.172 30 20 DBED Cn1nncc1C(=O)N1CC[C@H]2CN(c3cncc(C#N)n3)C[C@H]21 1040603370 NFWJIVRVNHTSRT-GXFFZTMASA-N 324.348 -0.172 30 20 DBED C#CCN1CCC2(CC1)CCN(C(=O)[C@H]1CN(C)C(=O)N1)C2 1040798469 QUUUIMCDWXPKPG-CYBMUJFWSA-N 304.394 -0.042 30 20 DBED N#Cc1nccnc1N1C[C@@H](O)[C@H](NC(=O)c2cccnc2)C1 1040911266 ULPRBPVHRUBUMI-CHWSQXEVSA-N 310.317 -0.277 30 20 DBED CN1CCC[C@H]1C(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1O 1040943564 CYHCVGUHJZHSGC-HZSPNIEDSA-N 315.377 -0.287 30 20 DBED CCO[C@H]1C[C@H]1C(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1041691991 VLFSQTDWDQMITN-OLZOCXBDSA-N 306.362 -0.486 30 20 DBED Cc1ocnc1C(=O)NCC1(O)CN(C(=O)C#CC(C)C)C1 1041815178 XOYNJKRDNIPQNI-UHFFFAOYSA-N 305.334 -0.054 30 20 DBED C[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1NC(=O)[C@@H]1CCNC1=O 1042400191 LJJPNYYQHYYEEX-YUSALJHKSA-N 314.349 -0.575 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)[C@]2(C)CNC(=O)C2)C1 1043943015 DPARWPREVHSQDJ-HNNXBMFYSA-N 321.377 -0.994 30 20 DBED C=C(Cl)CN1CC(N(C)C(=O)c2cn(CC(N)=O)nn2)C1 1044333958 BELYLOSKFTYTKK-UHFFFAOYSA-N 312.761 -0.728 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)[C@@]3(F)CCOC3)C2)nc1 1044427020 QNEYVZKKRIPYMO-TYNCELHUSA-N 320.324 -0.252 30 20 DBED C[C@H](OCC1CC1)C(=O)N1CC(O)(CNC(=O)[C@H](C)C#N)C1 1045540369 GSXUXTXIASLBMZ-MNOVXSKESA-N 309.366 -0.349 30 20 DBED COCc1nc(C(=O)N2CC(O)(CNC(=O)[C@H](C)C#N)C2)co1 1045546436 MCFCJSRJYIOZQT-SECBINFHSA-N 322.321 -0.716 30 20 DBED CC(C)C#CC(=O)N(C)[C@H]1CN(C(=O)[C@H](C)CC(N)=O)C[C@@H]1O 1048807362 MYQKEMJYIDUTKA-AGIUHOORSA-N 323.393 -0.813 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC(=O)N2)C1 1049139878 MPZKPTUIXZSAOW-AVGNSLFASA-N 321.377 -0.901 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)c2cncs2)C[C@@H]1O 1049388219 HDESVNGANSPSOD-UTLUCORTSA-N 308.363 -0.054 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)c2ccncc2)C[C@@H]1O 1049389247 VSKIMAOQRROXLP-WXHSDQCUSA-N 302.334 -0.115 30 20 DBED C#CCN1CCN([C@H]2CCN(C(=O)[C@H]3CCN(C)C3=O)C2)CC1 1052066699 XSIAFTJQLSFZTG-GJZGRUSLSA-N 318.421 -0.684 30 20 DBED C=CCN1CCC[C@@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)CC1 1052764638 PXDLQMDZCAKESO-LLVKDONJSA-N 322.365 -0.436 30 20 DBED C=CCCn1cc(C(=O)N2CCOC3(CN(CC#N)C3)C2)nn1 1053464873 AEEONJZDRBFGTL-UHFFFAOYSA-N 316.365 -0.095 30 20 DBED C=CCN1CC2(C[C@@H](NC(=O)Cn3nnnc3C(C)C)CO2)C1 1053949827 QVXMXWFKCAASMX-GFCCVEGCSA-N 320.397 -0.058 30 20 DBED CN1CCCC[C@@H](C(=O)N[C@@H]2COC3(C2)CN(CC#N)C3)C1=O 1053980674 BLDNWTCEMPKVJA-STQMWFEESA-N 320.393 -0.272 30 20 DBED C=C(C)CN[C@H]1CN(C(=O)CCn2ncn(C)c2=O)C[C@H]1C 1054930420 NGPPPHUYGCIPSY-OLZOCXBDSA-N 307.398 -0.016 30 20 DBED C=CCCC(=O)N1C[C@H]2CN(C(=O)[C@@H]3COC(=O)N3)C[C@H]2C1 1055233183 AADBAXDBYWMOSW-TUAOUCFPSA-N 307.350 -0.022 30 20 DBED C#CCCCC(=O)N1C[C@H]2CN(C(=O)[C@H]3CCC(=O)N3)C[C@H]2C1 1055247302 NOBBDQHARYIJQL-HZSPNIEDSA-N 317.389 -0.015 30 20 DBED C[C@H](C#N)C(=O)NC1CCN(CCNC(=O)c2cnon2)CC1 1055622534 OGCXYHJPTVNOMF-SNVBAGLBSA-N 320.353 -0.460 30 20 DBED O=C(N[C@@]1(CO)CCCN(C(=O)C#CC2CC2)C1)[C@H]1CCOC1 1055817958 UBMRYVDBCVSSNP-YOEHRIQHSA-N 320.389 -0.094 30 20 DBED C#CCCCC(=O)N[C@]1(CO)CCCN(C(=O)CC(=O)NC)C1 1055911193 WZLIIELAVQNQOS-MRXNPFEDSA-N 323.393 -0.604 30 20 DBED Cn1ccc(CC(=O)N2CC[C@@H](N=c3cc[nH]c(C#N)n3)C2)n1 1056625609 WOBMCGQQWOCCJO-GFCCVEGCSA-N 311.349 -0.241 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCN(CCO)C(=O)c1ccncc1 1056795609 FFJBVCCGTOIKDO-MRXNPFEDSA-N 321.377 -0.041 30 20 DBED C=CCCCC(=O)NCCN(CCO)C(=O)CN(C)C(C)=O 1057031110 KPOGZTOLESHZDP-UHFFFAOYSA-N 313.398 -0.242 30 20 DBED C=CCCO[C@@H](C)C(=O)NCCN(CCO)C(=O)c1cc[nH]n1 1057044750 HHQFNTLVMPQDQU-LBPRGKRZSA-N 324.381 -0.058 30 20 DBED C#Cc1cncc(C(=O)NCCN(CCO)C(=O)[C@H](C)OC)c1 1057110382 BEYYHCKQRVVAJX-LBPRGKRZSA-N 319.361 -0.352 30 20 DBED Cn1cc(C(=O)N(CCO)CCNC(=O)C#CC(C)(C)C)nn1 1057494117 NZVQSTJSVSWCED-UHFFFAOYSA-N 321.381 -0.585 30 20 DBED N#Cc1cncc(N2CC[C@H](NC(=O)C[C@H]3COC(=O)C3)C2)n1 1058325786 GBAWWNRFOUVBLN-MNOVXSKESA-N 315.333 -0.004 30 20 DBED COc1ncccc1C(=O)N(CCO)CCNC(=O)[C@H](C)C#N 1058705286 VMRLFUWOKWNLHR-LLVKDONJSA-N 320.349 -0.199 30 20 DBED N#Cc1nc(=N[C@H]2C[C@H](NC(=O)[C@@H]3CCC(=O)N3)C2)cc[nH]1 1059268078 WQAGIPGDQSDBJH-GUBZILKMSA-N 300.322 -0.892 30 20 DBED N#Cc1ccc(N[C@H]2C[C@@H](NC(=O)[C@@H]3COC(=O)N3)C2)nn1 1059625292 QXSWKLQPMBDHME-AEJSXWLSSA-N 302.294 -0.484 30 20 DBED C=CCCO[C@H](C)C(=O)NCC[C@H]1CCN(C(=O)C(N)=O)C1 1060271949 ZTUNDUVQEPUGBO-NEPJUHHUSA-N 311.382 -0.192 30 20 DBED C=CCOCC(=O)N1CCOC[C@H]1CNC(=O)c1cc(C)[nH]n1 1061359867 GUMVZYRKEBYWKB-GFCCVEGCSA-N 322.365 -0.122 30 20 DBED O=C(Cc1ccon1)NC[C@@H]1COCCN1C(=O)C#CC1CC1 1061452159 UXBOGNWODOUOMY-CQSZACIVSA-N 317.345 -0.026 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H]1COCCN1C(=O)[C@H]1C[C@@H]1C 1061517755 FIPKJRPCKMBXDA-AVGNSLFASA-N 321.377 -0.875 30 20 DBED C#CCCCC(=O)NC[C@@H]1COCCN1C(=O)[C@H]1C[C@H]1C(N)=O 1061540305 ISRVVGAXQMMVGL-UPJWGTAASA-N 321.377 -0.745 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H]1COCCN1C(=O)c1cc[nH]n1 1061584841 NJTZTKOCYKUORI-NWDGAFQWSA-N 320.349 -0.595 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H]1COCCN1C(=O)c1ncc[nH]1 1061585445 WVIPSUSQQSUEFR-NWDGAFQWSA-N 320.349 -0.595 30 20 DBED N#Cc1cnc(N2CC[C@H](CNC(=O)[C@H]3COC(=O)N3)C2)cn1 1061593622 ZIOSKUBNKHHKOR-MWLCHTKSSA-N 316.321 -0.601 30 20 DBED CC#CCCCC(=O)N1CCOC[C@@H]1CNC(=O)c1nc[nH]n1 1061768877 NOQMWPDYIMLMMA-LBPRGKRZSA-N 319.365 -0.045 30 20 DBED C=CCCC(=O)N1CCOC[C@@H]1CNC(=O)[C@]1(C)CCNC1=O 1061903700 IGEDLIJMWRYCJD-BLLLJJGKSA-N 323.393 -0.178 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)[C@@H]2CCC(=O)N2C)CCC1 1064041672 NLHMFUZEZWTDHA-QWRGUYRKSA-N 306.366 -0.078 30 20 DBED C=CCCC(=O)N1CCO[C@@H](CNC(=O)CC(=O)NCC)C1 1064956494 YSDLYGQSEXHFOV-LBPRGKRZSA-N 311.382 -0.178 30 20 DBED C=CCOCC(=O)N1CCO[C@@H](CNC(=O)C[C@H](C)OC)C1 1064975713 BNHUSKFIVFUDAW-STQMWFEESA-N 314.382 -0.042 30 20 DBED C=CCO[C@@H](C)C(=O)NC[C@@H]1CN(C(=O)c2ncc[nH]2)CCO1 1065124491 NZWUTMAXFACGRD-NWDGAFQWSA-N 322.365 -0.042 30 20 DBED C=CCO[C@H](C)C(=O)N1CCO[C@H](CNC(=O)c2cnn[nH]2)C1 1065284519 MPWLQYVXSMFMNX-GHMZBOCLSA-N 323.353 -0.647 30 20 DBED C=CCCCC(=O)N1CCO[C@H](CNC(=O)CC(=O)NC)C1 1065543886 HSTBGIXSLSNFIF-GFCCVEGCSA-N 311.382 -0.178 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)CCN(C)C)CCO1 1065570280 KHWGSNLSPIPZIQ-ZDUSSCGKSA-N 313.398 -0.516 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](CNC(=O)c3cnccn3)C2)nc1 1067644930 GKXRWYUDNFKRPA-TZMCWYRMSA-N 324.344 -0.030 30 20 DBED C=CCCC(=O)NC[C@@H]1CCC2(CN(C(=O)CC(=O)NC)C2)O1 1068536542 ZIBWTJWCECMRLF-LBPRGKRZSA-N 323.393 -0.035 30 20 DBED C=CC(C)(C)C(=O)N1CC2(C[C@@H](NC(=O)CC(=O)NC)CO2)C1 1068826403 HRYWKKMXIBNSIV-LLVKDONJSA-N 323.393 -0.179 30 20 DBED COc1cc(C(=O)N2C[C@H](n3ccnn3)[C@H](NCC#N)C2)on1 1070180952 OJSVYYSIKXCOQW-ZJUUUORDSA-N 317.309 -0.546 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2C[C@@H]3CN(CC(=O)N(C)C)C[C@]2(C1)O3 1070772281 GWRXRDQINMWHBS-BRXULGCHSA-N 320.393 -0.464 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(=O)NCCN(CC#N)CC1 1071001275 PMJQOUFWPINPLU-KGLIPLIRSA-N 320.393 -0.248 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)[C@H]2CCO[C@H]2C)CC1 1071010429 KUKLYYZDUCKPSN-KBPBESRZSA-N 307.394 -0.305 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CCCN(C(=O)Cc2nc[nH]n2)C1 1071378118 DVOHWSKSWOBCAU-GFCCVEGCSA-N 301.350 -0.132 30 20 DBED C=CCCOCC(=O)N[C@H]1CN(C(=O)c2cnnn2C)C[C@@H]1C 1072007549 SRUZYADXLXKCHV-RYUDHWBXSA-N 321.381 -0.016 30 20 DBED C[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1NC(=O)C(=O)NCC1CC1 1072038696 IMNNLVNEINABGB-FZMZJTMJSA-N 317.389 -0.111 30 20 DBED Cc1nn[nH]c1C(=O)N1C[C@@H](NC(=O)CSCC#N)[C@H](C)C1 1072493726 OYTPOFKOSVYROQ-PSASIEDQSA-N 322.394 -0.053 30 20 DBED C#CCCN1CCCO[C@@H](CNC(=O)c2nnn(C)c2C)C1 1073562100 KOHGISHRJJFHNL-ZDUSSCGKSA-N 305.382 -0.032 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](NC(=O)CC(N)=O)[C@H](C)C1 1073850160 XPSOLSKKVKPLCB-VXGBXAGGSA-N 309.366 -0.745 30 20 DBED CNC(=O)CC(=O)N1CCC(O)(CNC(=O)C#CC2CC2)CC1 1074559834 BBAYOAIYQGYUOQ-UHFFFAOYSA-N 321.377 -0.994 30 20 DBED C=CCCC(=O)NCC1(O)CCN(C(=O)Cc2nc[nH]n2)CC1 1074738273 PZEXKINPPGNPBO-UHFFFAOYSA-N 321.381 -0.217 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)Cn1cnnn1 1075562220 CKRQCPAEBNOUNN-TUAOUCFPSA-N 322.369 -0.725 30 20 DBED C[C@@H](CCNC(=O)CSCC#N)NC(=O)C(C)(C)C(N)=O 1075677860 AWCJJLRZKDIKBN-VIFPVBQESA-N 314.411 -0.234 30 20 DBED C#CCOCCC(=O)N[C@@H](C)CCNC(=O)[C@H]1CCNC(=O)C1 1076140387 PTQIFNMGWACFOK-STQMWFEESA-N 323.393 -0.437 30 20 DBED N#CCN1C[C@@H]2CCN(C(=O)c3cnn4c(=O)cc[nH]c34)[C@@H]2C1 1076334953 RKUSIHXBCPGFOE-CMPLNLGQSA-N 312.333 -0.308 30 20 DBED C#CCO[C@@H](C)C(=O)NCC[C@H](C)NC(=O)COCCOC 1076510573 PAMRRUSPISFYKQ-STQMWFEESA-N 314.382 -0.301 30 20 DBED C[C@@H](CCNC(=O)[C@@H](C)C#N)NC(=O)COCc1ncnn1C 1078136560 PHGWCYQJJSQXCX-QWRGUYRKSA-N 322.369 -0.498 30 20 DBED CN1CCN(CC(=O)N2C[C@H]3CC[C@H]2[C@H](NCC#N)C3)CC1=O 1078981087 HENHBGSSPBJOGG-MJBXVCDLSA-N 319.409 -0.747 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CCCN(C(=O)Cn2cnnn2)CC1 1079058864 JQCJIVPOGDHDSD-NEPJUHHUSA-N 319.369 -0.328 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@H](CNC(=O)CCSC)C1 1081231123 KSWWGWLWPUWBFG-NEPJUHHUSA-N 316.423 -0.122 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C#CC2CC2)C1 1081471149 JTJWCBFPNMDUOJ-UONOGXRCSA-N 306.362 -0.462 30 20 DBED C=CCOCC(=O)N1C[C@H](CNC(=O)Cc2ncc[nH]2)[C@@H](O)C1 1081692171 CHYVPEQJUXPIDW-RYUDHWBXSA-N 322.365 -0.910 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@H]2CC(=O)N(C(C)C)C2)[C@H](OC)C1 1081756440 HJHIVJIZAYGMDP-BFHYXJOUSA-N 307.394 -0.308 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2nocc2C)C1 1081773835 HAKOSCMSPFSQHF-NEPJUHHUSA-N 323.349 -0.265 30 20 DBED C=CCN1C[C@@H](NC(=O)[C@H]2CCCN(C(N)=O)C2)[C@H](OC)C1 1081915608 OEPYJNAVNBXTIV-YNEHKIRRSA-N 310.398 -0.222 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](NCCN2C(=O)CCC2=O)[C@H](C)C1 1082448527 UJCRGKXXOROMJL-QJPTWQEYSA-N 306.366 -0.268 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C[C@H]1C 1082508057 OIFALLWNEVXDEF-MBNYWOFBSA-N 315.377 -0.168 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H]2CN(Cc3cnn(C)n3)C[C@@H]21 1083026425 ZREFRDZMDNIYKM-WCFLWFBJSA-N 304.354 -0.614 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(CCn2cccn2)C[C@@H]1O 1083790135 QGBTULLKBBVIOI-KBXIAJHMSA-N 320.393 -0.365 30 20 DBED N#CCN1CC[C@@H]2CN(C(=O)[C@H]3CCCN(C(N)=O)C3)[C@@H]2C1 1084499078 SVXSBYQBZKWGMT-FRRDWIJNSA-N 305.382 -0.167 30 20 DBED CC#CCN1CC[C@@H]2CN(C(=O)CCn3ncn(C)c3=O)[C@@H]2C1 1084542281 UHLHRTDURZKIRA-ZIAGYGMSSA-N 317.393 -0.472 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1CC(=O)NC 1085647601 PDCLIVRIFUQPBV-KBPBESRZSA-N 306.410 -0.637 30 20 DBED C#CCCN1CC[C@@H]2CN(C(=O)CN3CCNC(=O)C3)C[C@@H]2C1 1088065199 MEANHVAXDWTPRA-CABCVRRESA-N 318.421 -0.778 30 20 DBED CCc1nc(C#N)cc(N2C[C@@H](O)[C@H](NC(=O)CSC)C2)n1 1090369370 YVZOIJJMJXNTTB-GHMZBOCLSA-N 321.406 -0.061 30 20 DBED CC(C)OCC(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1O 1090379654 PIHWDNQSNSFZLP-VXGBXAGGSA-N 305.338 -0.561 30 20 DBED Cc1cc(N2C[C@@H](O)[C@H](NC(=O)[C@@H](C)C#N)C2)n2ncnc2n1 1090404817 WEBQXJDLDANGMI-JMJZKYOTSA-N 315.337 -0.742 30 20 DBED COCC(C)(C)C(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1O 1090507213 UBVCNJFTZMRNSW-VXGBXAGGSA-N 319.365 -0.313 30 20 DBED Cc1nc2nccc(C(=O)N[C@@H]3CCN(CC#N)C[C@H]3O)n2n1 1090724441 JIDSBWRKCSCPOR-ZYHUDNBSSA-N 315.337 -0.879 30 20 DBED N#CCN1CC[C@H](NC(=O)c2cc(C(N)=O)cs2)[C@H](O)C1 1090834562 WZDDEAMIZIFFCW-VHSXEESVSA-N 308.363 -0.464 30 20 DBED N#Cc1cnc(N2C[C@H](O)[C@H](NC(=O)CC(F)(F)F)C2)cn1 1091078344 NSAIVRXRRXHFQC-BDAKNGLRSA-N 315.255 -0.034 30 20 DBED CNC(=O)CC(=O)N[C@H]1CCN(c2nccnc2C#N)[C@@H]1C 1091959330 MBSRISDQRYCOIL-ZJUUUORDSA-N 302.338 -0.432 30 20 DBED C#CCOCCC(=O)N[C@H]1CCN(c2cnc(F)cn2)C[C@@H]1O 1092163614 DSJXKKFKKMRXTQ-RYUDHWBXSA-N 322.340 -0.289 30 20 DBED CC(=O)NC(C)(C)C(=O)N1CCN(c2cncc(C#N)n2)CC1 1093163875 PMSNYSUXKGXFNH-UHFFFAOYSA-N 316.365 -0.088 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1CNC(=O)C1CCN(C(N)=O)CC1 1093185587 DHHXSHHHNPTHEF-DGCLKSJQSA-N 307.398 -0.015 30 20 DBED N#Cc1nccnc1N1C[C@@H]2C(NC(=O)C3(C(N)=O)CC3)[C@H]2C1 1093356581 OZCWLQKVYMYBKQ-IUCAKERBSA-N 312.333 -0.835 30 20 DBED C[C@H]1CCN(C(=O)C(=O)NCCNc2cnc(C#N)cn2)C1 1093870470 YZJZGDRIGRIELP-JTQLQIEISA-N 302.338 -0.255 30 20 DBED CCN1CCOC[C@@H]1C(=O)NCCNc1nc(C)cc(C#N)n1 1093976684 BTHRYVWBIGCEHQ-CYBMUJFWSA-N 318.381 -0.095 30 20 DBED Cc1cc(=NCCNC(=O)[C@@]2(C)CNC(=O)C2)c(C#N)c[nH]1 1094005664 RSHHZDALJVMTQB-OAHLLOKOSA-N 301.350 -0.262 30 20 DBED N#Cc1nc(=NCCNC(=O)C[C@@H]2CCCS2(=O)=O)cc[nH]1 1094011941 WAOPNXZMTZXRSX-JTQLQIEISA-N 323.378 -0.734 30 20 DBED C#CCN1CC(n2cc(CNC(=O)[C@@H]3C[C@H]3C(=O)OC)nn2)C1 1094279233 DFFUBQZSHALHPV-CHWSQXEVSA-N 317.349 -0.807 30 20 DBED N#Cc1ccc(NCCCNC(=O)CCn2cnnn2)cn1 1094541224 JTGJOHZQOCRYDD-UHFFFAOYSA-N 300.326 -0.052 30 20 DBED CC#CCN1CC(N2C[C@H](NC(=O)c3cnns3)CC2=O)C1 1094711828 OJHBHSJVOLRNJF-SNVBAGLBSA-N 319.390 -0.424 30 20 DBED N#Cc1cnc(N2CCCN(C(=O)CNC(N)=O)CC2)cn1 1095164348 QNSPIDHEKINXNR-UHFFFAOYSA-N 303.326 -0.945 30 20 DBED CN(CCCNC(=O)[C@H]1CC[C@H]1C(N)=O)c1ccnc(C#N)n1 1095696444 AXLPUTUFXOYXSD-MNOVXSKESA-N 316.365 -0.198 30 20 DBED CC(C)(C(N)=O)C(=O)N[C@H]1C[C@H](Nc2cnc(C#N)cn2)C1 1097074215 SLDWSDCHZPYTBZ-KYZUINATSA-N 302.338 -0.081 30 20 DBED N#Cc1cncc(N2CCC[C@@H](CNC(=O)CNC(N)=O)C2)n1 1097286821 SIKLDNPCZMSQJA-JTQLQIEISA-N 317.353 -0.651 30 20 DBED Cc1cc(=N[C@@H](C)CNC(=O)Cn2cnnn2)c(C#N)c[nH]1 1097696494 NQHWLXVEMJGEKL-JTQLQIEISA-N 300.326 -0.713 30 20 DBED C[C@H](CNC(=O)[C@@H]1CCNC(=O)C1)Nc1nccnc1C#N 1097774468 RHARKAARNYZJCH-NXEZZACHSA-N 302.338 -0.209 30 20 DBED C[C@H](CNC(=O)[C@H]1CCCS1(=O)=O)Nc1nccnc1C#N 1097884223 XYULGGYAWVINEU-MWLCHTKSSA-N 323.378 -0.158 30 20 DBED C[C@@H](CNC(=O)[C@@]1(C)CCNC(=O)C1)N=c1cc[nH]c(C#N)n1 1098395307 NBMXUXDUWGELQU-BONVTDFDSA-N 316.365 -0.397 30 20 DBED C=CCOCC(=O)N1CC[C@@H](CNc2ccc3nnnn3n2)C1 1098512891 JUADZWPRWLANJJ-NSHDSACASA-N 317.353 -0.018 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)C1(C(N)=O)CC1)C[C@@H](C)O2 1098631460 ZGDQLHHGDLKLFV-CYBMUJFWSA-N 319.405 -0.033 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)CCNC(=O)COC)[C@H](O)C1 1099864424 RPHKMCRKFHILGX-QWHCGFSZSA-N 313.398 -0.733 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)Cn2cncc2C)[C@H](O)C1 1099918352 KNWKPKLDLXOWFH-HUUCEWRRSA-N 320.393 -0.607 30 20 DBED COCC#CCN1CC[C@H](NC(=O)CCn2ccnc2)[C@@H](O)C1 1099939794 MEYZCWWRPDFNCX-GJZGRUSLSA-N 320.393 -0.526 30 20 DBED Cc1cc(N(C)CCNC(=O)[C@@H]2CNC(=O)N2)c(C#N)cn1 1100292520 DXAGGRPLSLEFAY-NSHDSACASA-N 302.338 -0.505 30 20 DBED Cc1nsc(N(C)CCNC(=O)[C@H]2C[C@H]2C(N)=O)c1C#N 1100327897 DMLRACUCOAMCON-BDAKNGLRSA-N 307.379 -0.003 30 20 DBED COCC#CCNC1CC(CNC(=O)C[C@@H]2CCNC2=O)C1 1100403503 OXFYHTXFNHBCBQ-MOKVOYLWSA-N 307.394 -0.353 30 20 DBED CCN(CCNC(=O)COCCOC)c1cnc(C#N)cn1 1100473014 UCLUDNSPZVTYDG-UHFFFAOYSA-N 307.354 -0.046 30 20 DBED C=CCCn1cc(C(=O)NCC2CC(NCC(=O)NC)C2)nn1 1100744265 PPTMKXCCIKGWDX-UHFFFAOYSA-N 320.397 -0.302 30 20 DBED CN(CCNc1cncc(C#N)n1)C(=O)[C@H]1CCCNC1=O 1101814895 FLNJVCJGAHRDES-NSHDSACASA-N 302.338 -0.255 30 20 DBED COCC(=O)N(C)CCN1CCN(c2cncc(C#N)n2)CC1 1102414119 LUYUPMRROSKECC-UHFFFAOYSA-N 318.381 -0.425 30 20 DBED COC[C@@H](OC)C(=O)N(C)[C@H](C)CN=c1cc[nH]c(C#N)n1 1104802070 FLZRNSXAHMVCSQ-GHMZBOCLSA-N 307.354 -0.310 30 20 DBED C#CCCNCc1cn(C2CN(C(=O)[C@H](C)OCC#C)C2)nn1 1105240715 YVSAXYFCZNLGEF-ZDUSSCGKSA-N 315.377 -0.187 30 20 DBED CN(CCN(C)c1cncc(C#N)n1)C(=O)C[C@H]1CCC(=O)N1 1105431058 XFVVEGPBBQBOFL-LLVKDONJSA-N 316.365 -0.088 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)c2ccnc(O)c2)nn1 1105818630 NMUYFUJKBSPFST-NSHDSACASA-N 314.305 -0.348 30 20 DBED Cn1cncc1CC(=O)NC[C@H](O)CNc1ccc(C#N)cn1 1105914269 SJNGXTSAYQCXLF-CYBMUJFWSA-N 314.349 -0.182 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@@H](C)[C@H](CNCCOCCO)C1 1106116430 CGTAEOBHTOIPMS-RBSFLKMASA-N 312.410 -0.282 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H](C)CCNc1nccn2nnnc12 1106441711 DOWSBUVKLHEVIY-GHMZBOCLSA-N 317.353 -0.136 30 20 DBED C[C@@H](CCNc1nccnc1C#N)NC(=O)Cn1nccn1 1106460733 UYRVWVGYONAIKH-JTQLQIEISA-N 300.326 -0.053 30 20 DBED C[C@H](CNc1ccc(C#N)nn1)NC(=O)c1ccc(=O)n(C)n1 1107752588 BMNKNLMAKXUOLQ-SECBINFHSA-N 313.321 -0.328 30 20 DBED C[C@H](CNc1ccc(C#N)nn1)NC(=O)[C@]1(C)CNC(=O)C1 1108016610 MOFGKSZKQYHDQA-OTYXRUKQSA-N 302.338 -0.209 30 20 DBED C[C@@]1(CNC(=O)[C@H]2CCCc3nn[nH]c32)CN(CC#N)CCO1 1108163606 MTLIPLUJAOWRRM-XHDPSFHLSA-N 318.381 -0.045 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(Nc2ccc3nnnn3n2)CC1 1110125723 QVQWPYUFRULMBN-ZDUSSCGKSA-N 317.353 -0.093 30 20 DBED Cn1cccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1110285893 GRKACHPSRSCZFU-UPJWGTAASA-N 315.377 0.000 30 20 DBED C[C@H](C(=O)NCC1(Nc2nccnc2C#N)CC1)S(C)(=O)=O 1110390854 HGRSCFLYZJZHSZ-SECBINFHSA-N 323.378 -0.158 30 20 DBED C#CCCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C[C@H](NC(C)=O)C(N)=O 1111108070 GRKTYCBFFXWGRG-MQYQWHSLSA-N 320.393 -0.889 30 20 DBED CO[C@H](C)C(=O)N[C@@]1(CO)CCCN(c2ccnc(C#N)n2)C1 1111336318 MXGVLQHNMKDILD-ABAIWWIYSA-N 319.365 -0.169 30 20 DBED CS[C@H](C)C(=O)N(CCO)CCN=c1cc[nH]c(C#N)n1 1111427000 STPWHZWMKDSSEE-SNVBAGLBSA-N 309.395 -0.246 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)[C@@H]2COCCN2C)CC1 1112770297 JTQKPGXEOYMXTQ-KBPBESRZSA-N 324.425 -0.848 30 20 DBED C=CCN1CC[C@H](N2CCN(C(=O)CC(=O)NC)CC2)C1=O 1112794117 ZPROWRKPLFQCMR-LBPRGKRZSA-N 308.382 -0.946 30 20 DBED Cc1cc(C#N)nc(NCC2CC(NC(=O)CNC(N)=O)C2)n1 1112816044 VCXMAMZUWMDMNV-UHFFFAOYSA-N 317.353 -0.368 30 20 DBED COCC#CCN1CCN(C(=O)C[C@H]2CCC(=O)NC2)CC1 1112958686 GOUSUHACBADJRL-CQSZACIVSA-N 307.394 -0.303 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)[C@@H](C)Nc1cncc(C#N)n1 1112978704 OKZZYQRVYGSINJ-GHMZBOCLSA-N 314.349 -0.207 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)CCSC)[C@H]2C1 1113844666 PQHMWLBNYFROET-CIQGVGRVSA-N 309.435 -0.076 30 20 DBED N#CCNC(=O)CN1C[C@H]2C(NC(=O)c3cc(Cl)c[nH]3)[C@@H]2C1 1113854110 BRLCYNUKDYUDCT-NXEZZACHSA-N 321.768 -0.032 30 20 DBED C=CCCO[C@@H](C)C(=O)N[C@H]1[C@@H]2CN(CC(=O)NC(N)=O)C[C@@H]21 1113999065 IOTDJMWPNZUHPA-MEWQQHAOSA-N 324.381 -0.791 30 20 DBED N#Cc1ccc(C(=O)NC2[C@@H]3CN(CCOCCO)C[C@@H]23)[nH]1 1114145580 RYWWQOZRYQECJZ-VXGBXAGGSA-N 304.350 -0.445 30 20 DBED CNC(=O)CC(=O)NCC1[C@@H]2CN(c3cncc(C#N)n3)C[C@@H]12 1114530668 OKQBSGFQHGMICN-RYUDHWBXSA-N 314.349 -0.717 30 20 DBED C=C[C@H](COC)NC(=O)N1CCN(S(=O)(=O)CC)CC1 1119599457 GGWPNSYDIPGCLV-LLVKDONJSA-N 305.400 -0.136 30 20 DBED N#Cc1nccnc1N[C@H](CO)CNC(=O)C[C@@H]1COC(=O)C1 1121302586 FGLDZIIMOPVXJC-UWVGGRQHSA-N 319.321 -0.810 30 20 DBED Cc1cc(C#N)nc(N[C@@H](CO)CNC(=O)c2cncnc2)n1 1121339532 LCKWXJWSJIKKNJ-GFCCVEGCSA-N 313.321 -0.351 30 20 DBED C#CCN1CCC[C@H]1c1nnc(N2CCC(O)(CO)CC2)n1C 1121406726 FWQQZPSHSRNVIJ-ZDUSSCGKSA-N 319.409 -0.091 30 20 DBED C=CCn1c(N2CCN(C)C(=O)C2)nnc1[C@@]1(O)CCOC1 1121625032 AKUSZICPYCDEHL-CQSZACIVSA-N 307.354 -0.650 30 20 DBED Cc1ncc(C(=O)NC[C@@H](CO)N=c2cc[nH]cc2C#N)n1C 1122404986 HGMKMBWYLNZSIW-LBPRGKRZSA-N 314.349 -0.380 30 20 DBED CCN(C)CCC(=O)N(C)C[C@H](O)CNc1cncc(C#N)n1 1124492977 IUBLSLSBTOGEHF-CYBMUJFWSA-N 320.397 -0.079 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCNC[C@@H]1CCCS(=O)(=O)C1 1126366755 ZJPNBNINOCIOLP-GXTWGEPZSA-N 318.439 -0.156 30 20 DBED Cc1ccn(C[C@@H](C)C(=O)NCCNCC(=O)NCC#N)n1 1128217218 MLEDUPQTKARLKM-LLVKDONJSA-N 306.370 -0.827 30 20 DBED C#CCN1CCn2ncc(CNC(=O)[C@]3(C)CNC(=O)C3)c2C1 1128416241 HRAGJJUUFPVZPT-INIZCTEOSA-N 315.377 -0.526 30 20 DBED CC(=O)NC(C)(C)C(=O)NCc1cnn2c1CN(CC#N)CC2 1128521132 KIABHDIQWINWNC-UHFFFAOYSA-N 318.381 -0.247 30 20 DBED CC#CCN1CCn2ncc(CNC(=O)CCCC(N)=O)c2C1 1128598310 COIQMXPMDGAGDB-UHFFFAOYSA-N 317.393 -0.006 30 20 DBED C=C[C@@](C)(O)CC(=O)N1C[C@H](n2ccnn2)[C@H](NCC#CC)C1 1129795720 NGSBZWKUHYUWTL-IJEWVQPXSA-N 317.393 -0.030 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1cc2cccn2cn1 1130141689 GJOCSYYXDYGYHJ-LBPRGKRZSA-N 313.361 -0.208 30 20 DBED CC(=O)N[C@@H](C)C(=O)NCc1c[nH]nc1[C@@H]1CCN(CC#N)C1 1130342132 AZSIQFPBISWXEI-CMPLNLGQSA-N 318.381 -0.137 30 20 DBED C#CCN1CC[C@H](c2n[nH]cc2CNC(=O)CCNC(N)=O)C1 1130449473 DHJOZBVQBDJOLX-NSHDSACASA-N 318.381 -0.493 30 20 DBED CCO[C@H](C)C(=O)NCc1nc([C@@H]2COCCN2CC#N)n[nH]1 1130831865 PXRPFCJMPXCFFC-MNOVXSKESA-N 322.369 -0.257 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)Cc1ccc(O)nc1 1131455629 CBWFDEBNWMBCGQ-NSHDSACASA-N 304.350 -0.827 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)c1c[nH]nc1C 1132143159 JGPAJCCZCAJKKP-UHFFFAOYSA-N 308.342 -0.951 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)Cc1cncn1C 1135943819 AMSKZGZELPKDCS-OLZOCXBDSA-N 319.409 -0.415 30 20 DBED C=CCOc1cccnc1C(=O)NCCNCc1nnnn1C 1147283562 VXOHAOHQPVMIDY-UHFFFAOYSA-N 317.353 -0.311 30 20 DBED C#CCOCCC(=O)N1CC2(CCN(CC(=O)NCC=C)C2)C1 1147530149 HAHKWRJLIPKHMY-UHFFFAOYSA-N 319.405 -0.137 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)c1c2c(nn1C)CCC2 1147634540 NDMHKPJUTTVNQF-LLVKDONJSA-N 319.409 -0.081 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)COc1ccsc1 1147940066 PFKXOLQYIVQEPW-LLVKDONJSA-N 309.391 -0.029 30 20 DBED C=CCNC(=O)CN1CCC2(C1)CN(C(=O)Cn1ccnc1)C2 1148905556 BOCUELJNVUPYCZ-UHFFFAOYSA-N 317.393 -0.280 30 20 DBED CC#CCN1CCCO[C@@H](CNC(=O)CCNC(=O)NC)C1 1149681131 HGPXDEIWRKBSSA-ZDUSSCGKSA-N 310.398 -0.464 30 20 DBED C=C(C)CN1CCCO[C@H](CNC(=O)C[C@@H]2NC(=O)NC2=O)C1 1149854508 LHOKDOYORONKKT-NEPJUHHUSA-N 324.381 -0.632 30 20 DBED COCC#CCNCCNC(=O)Cc1nc2ncccn2n1 1151056366 MDGPHWFBNCBJIA-UHFFFAOYSA-N 302.338 -0.978 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)[C@]1(F)CCOC1 1154826040 LLPNKIAUDLMRQL-DOMZBBRYSA-N 313.373 -0.309 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)CNC(=O)C2CC2)C1=O 1155050134 RGWSHVQTQVFOIJ-ZDUSSCGKSA-N 322.409 -0.605 30 20 DBED C#Cc1cccc(NC(=O)CNCCCNC(=O)CC(N)=O)c1 1156011924 IDKYDMNFBVUUAE-UHFFFAOYSA-N 316.361 -0.422 30 20 DBED CC(C)c1cc(C(=O)NCCCNCC(=O)NCC#N)nn1C 1157821460 XOVILRHSBPLIRM-UHFFFAOYSA-N 320.397 -0.107 30 20 DBED C#CCOCCC(=O)NCCCNC[C@@H](O)Cn1cccn1 1157870200 YMTOZRFUCFWXJT-CQSZACIVSA-N 308.382 -0.620 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)[C@H]1CCN(C)C(=O)C1 1161155914 LJQOLNVJUKRBTR-STQMWFEESA-N 322.409 -0.911 30 20 DBED CCC[C@H](C(=O)NCCC1(CNCC#N)CC1)S(N)(=O)=O 1166380922 RCACAYLOSSIJSM-LLVKDONJSA-N 316.427 -0.157 30 20 DBED C#CCNCC1(CCNC(=O)C(C)(C)NS(C)(=O)=O)CC1 1167408609 KVCXEVDKZPZCDB-UHFFFAOYSA-N 315.439 -0.177 30 20 DBED CNS(=O)(=O)CC(=O)NCCCNCC#Cc1ccccc1 1176336506 OFYOVBJKAYXWLL-UHFFFAOYSA-N 323.418 -0.317 30 20 DBED C#CCN1CCC(C(=O)NCCCNCC(=O)N(C)CC)CC1 1176926843 XJBCEYAUALMIJP-UHFFFAOYSA-N 322.453 -0.094 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2cc(OC)no2)[C@H]1C 1178508800 WFWKSPABCSVKBR-QWRGUYRKSA-N 320.349 -0.375 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)C[C@](C)(O)C=C)[C@H]1C 1178572574 LVUJYXWWVBPALY-HEHGZKQESA-N 307.394 -0.358 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CCCC(=O)N2)[C@H]1C 1178957167 PFAXKOFERVFVHU-RWMBFGLXSA-N 322.409 -0.464 30 20 DBED COCC(=O)N(C)CC(=O)N1CC[C@H](CNCC#N)[C@H](C)C1 1184534040 ISAOLTVSMVPJSY-CHWSQXEVSA-N 310.398 -0.311 30 20 DBED C=CCNC[C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C[C@H]1C 1184924760 WBEAAWWYLFWEHE-KGLIPLIRSA-N 308.426 -0.322 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)c2cncc(OC)n2)C1 1186096718 KOXMJHMENFXCDP-GFCCVEGCSA-N 304.350 -0.061 30 20 DBED C=CCn1cc(C(=O)N2CC[C@@H](NCC(=O)NC3CC3)C2)nn1 1186194028 SFMAKOWKJUVUOG-GFCCVEGCSA-N 318.381 -0.453 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](N(C)CCNS(C)(=O)=O)C1 1189401522 YARMWJBSMQBKCB-GHMZBOCLSA-N 302.400 -0.772 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)COC2CCCC2)C1 1191369730 UTGWXVMKOSPETQ-HUUCEWRRSA-N 310.394 -0.243 30 20 DBED CCc1nnc(CN2C[C@@H](O)[C@H](NC(=O)[C@H](C)C#N)C2)n1C 1191854631 PMJAACCSTLEWSA-GMTAPVOTSA-N 306.370 -0.802 30 20 DBED C#CCOCCC(=O)N1CCCN(CC(=O)N2CCC2)CC1 1195823834 CQRDNUPKACHWJI-UHFFFAOYSA-N 307.394 -0.207 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2cncc(OCCOC)c2)C1 1197349180 DGOGLYSYKIFAQP-HUUCEWRRSA-N 319.361 -0.485 30 20 DBED C#CCNC(=O)[C@H](C)N1CCCN(C(=O)c2ccncn2)CC1 1197492774 YBIYRMYTOACWGI-ZDUSSCGKSA-N 315.377 -0.238 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)CCCc2nc(CC)no2)C1 1198644861 HWBRMUAKZYLHCO-VXGBXAGGSA-N 306.366 -0.251 30 20 DBED C#CCCNC1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)CC1 1200887083 HKZWPTMBQLCYSB-UHFFFAOYSA-N 318.377 -0.849 30 20 DBED CC#CCNC[C@H]1CN(C(=O)CCc2cnn[nH]2)CCCO1 1201431564 ZYTMLXPTOKWGEY-AWEZNQCLSA-N 305.382 -0.032 30 20 DBED CC#CCNC1CCN(C(=O)CCCS(N)(=O)=O)CC1 1202251344 MMBRSKCPWMSCRJ-UHFFFAOYSA-N 301.412 -0.341 30 20 DBED COC[C@H](O)CN1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@H](C)C1 1206778690 GBYDNPZZEXNRIA-MPKXVKKWSA-N 306.366 -0.056 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)CC(=O)NC)[C@H](C)C1 1206900798 SMZYIHCGKRVUBP-GRYCIOLGSA-N 310.398 -0.750 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2coc(OC)n2)[C@H](C)C1 1208138052 IAOYILQRIGPVIM-GHMZBOCLSA-N 320.349 -0.517 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)c2[nH]c(O)nc2C)C1 1208381413 RYJXTFONACFMAF-LLVKDONJSA-N 321.381 -0.080 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)[C@H](C)SC)[C@H](OC)C1 1211911513 HFFKCFJRYZKSOX-QJPTWQEYSA-N 313.423 -0.697 30 20 DBED Cc1ccnc(CN2C[C@H](O)[C@H](NC(=O)C#CC3CC3)C2)n1 1219589686 DFGZENGIZVBQCH-KGLIPLIRSA-N 300.362 -0.140 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)CO[C@H]2CCOC2)C1 1219625515 QDKKOQLBGHKRJE-MJBXVCDLSA-N 314.382 -0.844 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)CCn2c(C)csc2=O)C1 1219806851 RBGHRAKIZUBQMX-OLZOCXBDSA-N 323.418 -0.207 30 20 DBED COCC#CCN1CCC(CNC(=O)c2c[nH]c(=O)cn2)CC1 1224254465 UJWOPEUMTQKDRE-UHFFFAOYSA-N 318.377 -0.139 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)c2cncnc2O)CC1 1227930411 VMILEKSDFRZREW-UHFFFAOYSA-N 319.365 -0.321 30 20 DBED C#CCN1CCS(=O)(=O)[C@H](CCNC(=O)C#CC2CC2)C1 1230461819 GWGNAJBPEBLQJY-CQSZACIVSA-N 308.403 -0.362 30 20 DBED C=C(C)CCN1CCS(=O)(=O)[C@@H](CCNC(=O)C(N)=O)C1 1230494509 MKEIJQNHQVYKOB-NSHDSACASA-N 317.411 -0.957 30 20 DBED Cc1cc(C(=O)NCCCN(C)CC(=O)NCC#N)nn1C 1234611914 DPLBAKUPVWADLC-UHFFFAOYSA-N 306.370 -0.580 30 20 DBED Cc1cc(C[C@@H](C)NC(=O)C(=O)N2CC[C@](O)(CC#N)C2)n[nH]1 1261468729 LIHIKEKPBLKACU-MEBBXXQBSA-N 319.365 -0.358 30 20 DBED C=CCOCCNC(=O)C(=O)NCc1nc2ncccn2n1 1261718805 PVIXUJAVFNAPME-UHFFFAOYSA-N 304.310 -0.941 30 20 DBED CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)NC1(C#N)CCOCC1 1321140487 MAFLHBULVVTDIL-NSHDSACASA-N 324.381 -0.418 30 20 DBED Cc1cc(NC(=O)C(=O)N2CC[C@@](F)(CO)C2)n(CCC#N)n1 1321275167 LBIRRLILOBOOQL-AWEZNQCLSA-N 323.328 -0.023 30 20 DBED CC(C)n1ccc(CNC(=O)C(=O)N2CC[C@](O)(CC#N)C2)n1 1326098084 IZSNMVSDLFJWAG-OAHLLOKOSA-N 319.365 -0.043 30 20 DBED CCONC(=O)CNC(=O)C(=O)Nc1cc(C)nn1CCC#N 1326535472 UIZLFUGOSNEGGQ-UHFFFAOYSA-N 322.325 -0.772 30 20 DBED C[C@@H](O)c1cn(CC(=O)OCC(=O)NC2(C#N)CCC2)nn1 1328701455 TYXBQGAVQGSXMR-SECBINFHSA-N 307.310 -0.563 30 20 DBED C#CCSCCNC(=O)C(=O)N[C@@H]1C[C@H](OCC)[C@@H]1OC 1329182539 KOBNCFSHXSPIDY-GRYCIOLGSA-N 314.407 -0.222 30 20 DBED CN1C[C@@H]2CCCN(C(=O)C(=O)N3CC[C@@](O)(CC#N)C3)[C@@H]2C1 1329466117 NYGPJJGXGWSNHH-ZENOOKHLSA-N 320.393 -0.584 30 20 DBED COC1(CO)CCN(C(=O)C(=O)N2CC[C@@](F)(C#N)C2)CC1 1329956683 HYQIGBLQGOPGDR-CYBMUJFWSA-N 313.329 -0.550 30 20 DBED CS(=O)(=O)[C@H]1CCN(C(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)C1 1332058205 NCCBNJBZGAFHNE-AXFHLTTASA-N 313.379 -0.560 30 20 DBED Cn1cc(CNC(=O)C(=O)NCc2cc(C#N)ccc2F)nn1 1332777087 QHTCINQZRCVHGM-UHFFFAOYSA-N 316.296 -0.242 30 20 DBED N#CCNC(=O)COC(=O)Cc1ccc(S(N)(=O)=O)s1 1338739220 QHOQOHSTFKEXPG-UHFFFAOYSA-N 317.348 -0.879 30 20 DBED C=CCn1c(O)nnc1SCc1cc(=O)n2nc(N)[nH]c2n1 1340325029 PAFRXUUBGIWYIJ-UHFFFAOYSA-N 320.338 -0.225 30 20 DBED C=CCn1c(-c2nc[nH]n2)nnc1N1CCN(C)C(=O)[C@H]1C 1340451505 WRQWUUUXWNILFG-SECBINFHSA-N 302.342 -0.084 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1c(C)noc1C 1342174744 OJMOWPKGDOWFPQ-UHFFFAOYSA-N 315.351 -0.053 30 20 DBED CS(=O)(=O)C1(CNC(=O)C(=O)N2CC[C@@](F)(C#N)C2)CC1 1343247426 QOAPEFQPLFFADR-LLVKDONJSA-N 317.342 -0.856 30 20 DBED C#CC1CCN(C(=O)C(=O)N[C@H](C)[C@@H]2CN(C)CCO2)CC1 1349247509 ABGFMYRSVOKYQF-OCCSQVGLSA-N 307.394 -0.307 30 20 DBED CC[C@]1(O)CCN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1 1351849552 UJOPMFDTCYYUGP-CJNGLKHVSA-N 320.393 -0.441 30 20 DBED COC(=O)NCC(=O)Nc1[nH]nc(N2CCOCC2)c1C#N 1362768771 JITSTXSFWBJSMD-UHFFFAOYSA-N 308.298 -0.588 30 20 DBED CCN(CCNC(=O)[C@@H]1COCCO1)C(=O)c1ccc(C#N)[nH]1 1373759833 KZTHEOLVQFNMGY-ZDUSSCGKSA-N 320.349 -0.120 30 20 DBED Cc1ccn(CC(=O)N[C@@H](C)CNC(=O)[C@H](C)C#N)c(=O)c1 1387088426 SWPOZPDSSWGAEB-NEPJUHHUSA-N 304.350 -0.063 30 20 DBED C[C@H](CNC(=O)CNC(=O)N1CCCC1)NC(=O)[C@H](C)C#N 1389267254 RBFSGCVWTLBLDN-GHMZBOCLSA-N 309.370 -0.428 30 20 DBED COCCN(CCNC(=O)[C@H](C)n1cncn1)C(=O)[C@@H](C)C#N 1396154884 BIRQXKHGZLDIHY-RYUDHWBXSA-N 322.369 -0.410 30 20 DBED C[C@H](NC(N)=O)C(=O)N(C)C1CCN(C(=O)[C@H](C)C#N)CC1 1404877724 HPXWRNBZEHEFQQ-ZJUUUORDSA-N 309.370 -0.348 30 20 DBED C[C@@H](C#N)C(=O)N(C)C[C@H]1CCN(C(=O)CNC(=O)C2CC2)C1 1408986887 MPWKPUJUURETHG-NWDGAFQWSA-N 320.393 -0.021 30 20 DBED C[C@H](C#N)C(=O)N(C)C[C@H]1CCN(C(=O)c2cn(C)nn2)C1 1408992400 KPSFREVJOKMKEV-GHMZBOCLSA-N 304.354 -0.105 30 20 DBED COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C1(C#N)CCOCC1 1411994756 RCJIIVMFGJICFT-NSHDSACASA-N 306.322 -0.070 30 20 DBED COC(=O)[C@@H]1CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)[C@H]1C 1412843659 LGGSOULHIZTCNI-WCBMZHEXSA-N 320.305 -0.769 30 20 DBED N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)[C@@H]1COCCO1 1414007587 SPMOIZMQEBBXMI-JTQLQIEISA-N 307.310 -0.528 30 20 DBED CO[C@H](CNC(=O)Cn1cc(C#N)c(O)nc1=O)C(C)(C)C 1417651460 RZBOXIQQMUYPTQ-SNVBAGLBSA-N 308.338 -0.002 30 20 DBED C=C(Cl)CNC[C@@H](O)CNC(=O)[C@H]1CCCCN1C(N)=O 1422393845 FEWXKJCFOIECHR-GHMZBOCLSA-N 318.805 -0.261 30 20 DBED CC1CCN(CC(=O)N(C)C[C@H](O)CNC(=O)[C@@H](C)C#N)CC1 1428249364 VLKIUTUXPMGAPD-UONOGXRCSA-N 324.425 -0.187 30 20 DBED COCCN(CCNC(=O)[C@@H](C)C#N)C(=O)[C@H]1CCCN1C 1428426099 SAADSIOHHPATEC-QWHCGFSZSA-N 310.398 -0.169 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](C)CNC(=O)c1cccn2nnnc12 1431727843 BDSIDPAQSGNUGB-DTWKUNHWSA-N 301.310 -0.482 30 20 DBED N#Cc1cccc(CN2CC(NC(=O)CCNC(N)=O)C2)c1 1438094981 AOZODLSBMDFDCQ-UHFFFAOYSA-N 301.350 -0.083 30 20 DBED N#Cc1cn(CC(=O)NCc2ccn3ccnc3c2)c(=O)nc1O 1445946154 BPBSPDMKLQITAK-UHFFFAOYSA-N 324.300 -0.215 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H](CNC(=O)CN1CCOCC1)C1CC1 1447144215 RPSNTZJOCMUIGY-AAEUAGOBSA-N 308.382 -0.511 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H](C)CNC(=O)CCNS(C)(=O)=O 1449988987 XIEWTPDMLWWMDN-NXEZZACHSA-N 318.399 -0.952 30 20 DBED C[C@H](C#N)C(=O)NC[C@@](C)(NC(=O)CS(C)(=O)=O)C1CC1 1451266534 TXXRNQNRWQNHKA-NOZJJQNGSA-N 315.395 -0.408 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)C[C@@H]2CCN(C)C2=O)C1 1454332805 WWROWDWRMKYXDA-WRWGMCAJSA-N 306.366 -0.222 30 20 DBED Cc1n[nH]c(C)c1CCC(=O)NC[C@@H](O)CNC(=O)[C@H](C)C#N 1457987520 RVPVAPOCKBLNMU-BXKDBHETSA-N 321.381 -0.288 30 20 DBED Cn1ccsc1=NC(=O)CCn1cc(C#N)c(O)nc1=O 1464582645 MVKAPNVQMQHMHZ-UHFFFAOYSA-N 305.319 -0.262 30 20 DBED C[C@H]1C[C@@H]1C(=O)N(C)CCN1CCN(CC(=O)NCC#N)CC1 1481465705 TVUZWEYBSFIHHS-KBPBESRZSA-N 321.425 -0.642 30 20 DBED CCCC[C@H](CNC(=O)[C@@H](C)C#N)NC(=O)Cn1cnnn1 1509294088 ZYRMTTDHDDOSFI-WDEREUQCSA-N 307.358 -0.376 30 20 DBED CCCN(CCNC(=O)CCNC(=O)NC)C(=O)[C@H](C)C#N 1529538584 MUDMXUKSJNXQHZ-LLVKDONJSA-N 311.386 -0.180 30 20 DBED C=C(Cl)C[C@H](NC(=O)CS(=O)(=O)CCOC)C(=O)O 1573307587 LWZWOPRHXRXFBU-QMMMGPOBSA-N 313.759 -0.240 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)[C@@H]2C[C@@H]2C(=O)O)CC1 1573310812 CWWQASWEIQLSMX-OLZOCXBDSA-N 321.377 -0.715 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N1CC[C@@](C)(C(=O)O)C1 1588448263 ZJHKDLOMHXFURK-OAHLLOKOSA-N 310.350 -0.192 30 20 DBED C=CCCS(=O)(=O)NC[C@]1(C(=O)O)C[C@@H]1S(C)(=O)=O 1588812896 FBQZXNRMXYVXJG-WCBMZHEXSA-N 311.381 -0.630 30 20 DBED C[C@](Cn1cccn1)(NCC(=O)NC1(C#N)CCC1)C(=O)O 1592923175 ILZXHOZSSOPSAL-CYBMUJFWSA-N 305.338 -0.122 30 20 DBED C#CC[C@H](NC(=O)[C@H](O)[C@H](O)c1nc2ccccc2[nH]1)C(=O)O 1602684956 KKBVRQHNFPFJHZ-SDDRHHMPSA-N 317.301 -0.450 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N1CCO[C@H](CC(=O)O)C1 1604059452 FSGMVQFZLDMNAT-VHSXEESVSA-N 305.356 -0.359 30 20 DBED CCN1CCC[C@H](Nc2cnc(-c3nn[nH]n3)c(C#N)n2)C1=O 1604340460 LBSIHJFPHIIFEO-QMMMGPOBSA-N 313.325 -0.049 30 20 DBED N#CCN1CC(OC2CCN(C(=O)[C@@H]3C[C@H]3C(=O)O)CC2)C1 1608188642 ZOJTYGYUDHGIRT-CHWSQXEVSA-N 307.350 -0.078 30 20 DBED N#Cc1ccc(C(=O)Nc2cnn(CC(=O)NCCO)c2)nc1 1647131175 AFDCAAAHDQKTNV-UHFFFAOYSA-N 314.305 -0.489 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC[C@H](C(=O)NCCNCC#N)C1 1752926619 VCOHNVAYNUPRGD-KGLIPLIRSA-N 320.393 -0.507 30 20 DBED N#CCNC(=O)CN1CCC[C@@H]1CNC(=O)C1=COCCC1 1753096952 AWLRVQZDSXVKHK-CYBMUJFWSA-N 306.366 -0.099 30 20 DBED CC#CCN1CCC(CCNC(=O)CS(=O)(=O)NC)CC1 1753599972 QMNCAUJAPOTCDE-UHFFFAOYSA-N 315.439 -0.223 30 20 DBED CC#CCN1CCO[C@H](CNC(=O)[C@]2(C)CCC(=O)NC2)C1 1753652222 CPFJFETXCOEQEP-CZUORRHYSA-N 307.394 -0.257 30 20 DBED C=CCNC[C@@H](O)CNC(=O)c1c[nH]nc1-c1cnn(C)c1 1753933163 FIIOPRHCHVIMRH-LLVKDONJSA-N 304.354 -0.324 30 20 DBED C#CCNC(=O)[C@H](C)N1CC(N(C)C(=O)c2n[nH]cc2C)C1 1754574753 CUXQINCTCUUWHI-NSHDSACASA-N 303.366 -0.388 30 20 DBED C#CCNC(=O)CN1CC[C@@](C)(NC(=O)c2cnns2)C1 1754666902 IAMUMCQYXPWSNK-CYBMUJFWSA-N 307.379 -0.518 30 20 DBED N#CCNC1(CNC(=O)C(=O)NCC(F)F)CCOCC1 1754738083 ZVJZJBWIBMVULE-UHFFFAOYSA-N 304.297 -0.854 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(CC[C@@H]2CCOC2)C1 1754767020 JGTSUGHWIYSZJU-UONOGXRCSA-N 310.394 -0.386 30 20 DBED C=CCN1CC([C@H](C)NC(=O)CN2CCCS2(=O)=O)C1 1755379527 PBRQYRDMYFMCEV-NSHDSACASA-N 301.412 -0.356 30 20 DBED Cc1cc(C(=O)N[C@H](C)CCCNCC(=O)NCC#N)ncn1 1755494419 SPVGQFGHKFLYJK-LLVKDONJSA-N 318.381 -0.087 30 20 DBED C#CCNC(=O)CNCCC[C@@H](C)NC(=O)[C@H]1CCCC(=O)N1 1755501970 PEHPYURIDZANEL-CHWSQXEVSA-N 322.409 -0.721 30 20 DBED C[C@@H](C#N)C(=O)NCCOCCN(C)[C@H]1CCC(=O)NC1=O 1755539976 WJXPNIHTAPJBOS-QWRGUYRKSA-N 310.354 -0.984 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H](CO)CNC(=O)c1ccc(C#N)[nH]1 1756513235 CRLVMNJVZDDTHZ-ZYHUDNBSSA-N 318.333 -0.868 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H](CO)CNC(=O)c1ccsn1 1756530158 AMRFEESOIWSYJY-NXEZZACHSA-N 311.363 -0.612 30 20 DBED Cc1c(C#N)c(=O)n(C[C@@H]2CN(C)C(=O)O2)c(=O)n1C1CC1 1771831697 VQSPOZJYRBTATG-JTQLQIEISA-N 304.306 -0.024 30 20 DBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCCO3)C2)C1 1839807754 KKAJRBBBOVWBPV-CZUORRHYSA-N 322.361 -0.745 30 20 DBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@@H]3F)C2)C1 1839810120 DXAFZHYHWVPXPJ-SLEUVZQESA-N 310.325 -0.566 30 20 DBED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)c2nc[nH]n2)C1 1843188628 ZVZHJHAHPPGAHR-LLVKDONJSA-N 317.349 -0.340 30 20 DBED C[C@H](C(=O)NC(=O)NCC(F)(F)F)N1CCO[C@H](C#N)C1 107307166 ZJAQIAFHVQAOHC-HTQZYQBOSA-N 308.260 -0.013 30 20 DBED N#Cc1ccc(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)O)s1 230322850 QNTJUPXGSQSNHW-LURJTMIESA-N 303.321 -0.773 30 20 DBED CC(C)[C@H](C#N)N1CCN(C(=O)CN2C[C@@H](O)C[C@@H]2CO)CC1 248397764 SIUZCACCXNBFQB-ILXRZTDVSA-N 324.425 -0.894 30 20 DBED CC/N=C(\N)N1CCN(S(=O)(=O)CCOC(C)C)CC1 261770627 NZGTWLCRFVJVHG-UHFFFAOYSA-N 306.432 -0.307 30 20 DBED CN(C)C(=O)C/N=C(/NCC(=O)N(C)C)N1CC[C@H](C2CC2)C1 262303132 OCLAJLXITOCYBC-ZDUSSCGKSA-N 323.441 -0.160 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC(C(=O)NCC(=O)OCC)CC1 269631962 IAMPSAYRKGCNLC-GFCCVEGCSA-N 323.393 -0.484 30 20 DBED C#CCSCCNC(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 269991591 UDIFSKOERAVHKR-LLVKDONJSA-N 319.452 -0.067 30 20 DBED CC#CCNC(=O)c1cc(C)c2c(=O)n(C)c(=O)n(C)c2n1 270607170 DTWSSPWQTRBGEY-UHFFFAOYSA-N 300.318 -0.306 30 20 DBED Cc1cccc(NC(=O)C(=O)N2C[C@@H](O)C[C@H]2CO)c1C#N 276100630 NNGDOMPYVLUCDY-QWRGUYRKSA-N 303.318 -0.241 30 20 DBED CC(C)N(CCS(=O)(=O)c1ccc(C#N)cn1)CC(N)=O 290361042 QTFMMUDXFAMVDT-UHFFFAOYSA-N 310.379 -0.077 30 20 DBED N#Cc1ccc(NC(=O)C(=O)N2CCN(CCO)CC2)cc1F 290847245 QXEPRUVKVSDJFA-UHFFFAOYSA-N 320.324 -0.228 30 20 DBED C#CCCN1CCN(C(=O)c2cc(S(N)(=O)=O)cn2C)CC1 299296681 DEAXKNFJDITOFQ-UHFFFAOYSA-N 324.406 -0.546 30 20 DBED CO[C@@H]1C[C@@H](c2nc[nH]n2)N(/C(O)=N/C[C@H]2COCCO2)C1 329011006 DODNLVZERIKQNF-VWYCJHECSA-N 311.342 -0.104 30 20 DBED Cc1nnc(CNc2c(C#N)c(=O)n(C)c(=O)n2C)n1C1CC1 329275178 JSSFRMCFNZVQEO-UHFFFAOYSA-N 315.337 -0.197 30 20 DBED O=C(CC/N=C(/O)N1[C@H]2CC[C@H]1[C@@H](CO)C2)N1CCOCC1 329607519 MVEQESWYXNQAGJ-AGIUHOORSA-N 311.382 -0.006 30 20 DBED O=c1c2ccccc2nnn1C/C(O)=N/[C@@]1(CO)CCOC1 329660878 ILEWPKKMBRVEGZ-CQSZACIVSA-N 304.306 -0.101 30 20 DBED CN(C[C@@H]1CCCC[C@@H]1O)/C(O)=N/CCNS(C)(=O)=O 330706362 LUIDKUXBPMSYMZ-QWRGUYRKSA-N 307.416 -0.068 30 20 DBED CC(C)N(C)C(=O)[C@H]1CSCN1C(=O)Cn1cnc(C#N)n1 331152576 OHFCFXABHLMSDT-SNVBAGLBSA-N 322.394 -0.082 30 20 DBED CC(C)CN1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 336909957 ICDIHLBRADPDJD-ZDUSSCGKSA-N 316.427 -0.271 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)NCC(=O)N1CCCCC1 336925709 VGFFFUBPFGTLGX-LLVKDONJSA-N 302.400 -0.075 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CC[C@H](NC(=O)NC)C1 336934115 DNYNMTSYDFATAW-QWRGUYRKSA-N 317.415 -0.284 30 20 DBED CC[C@H](C)N(C)CCNS(=O)(=O)N1CCO[C@H](C#N)C1 337094926 PKEPTSKJVSHBPC-NWDGAFQWSA-N 304.416 -0.225 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N1CCC[C@@H](S(C)(=O)=O)C1 337809391 LEJWUBIQDMBWFY-GHMZBOCLSA-N 323.440 -0.026 30 20 DBED C=CCOCCN1CCOC[C@H]1C(=O)NCC(=O)OCC 339078542 DXOAAMNPVQTEIT-LBPRGKRZSA-N 300.355 -0.431 30 20 DBED N#Cc1ccc(S(=O)(=O)N2CC[C@@H](S(N)(=O)=O)C2)cc1 340348510 BWHFHAIVJBESBB-LLVKDONJSA-N 315.376 -0.390 30 20 DBED COc1cc(C#N)ccc1S(=O)(=O)N(C)[C@H]1COC[C@H]1O 352310461 KJFUVKLLWPVYFL-WDEREUQCSA-N 312.347 -0.053 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N1C[C@H](C)S(=O)(=O)[C@@H](C)C1 352593786 WATCYDAHAQKJQZ-VWYCJHECSA-N 323.440 -0.170 30 20 DBED N#Cc1ccc(-n2ccc(NC(=O)C(=O)NCCO)n2)c(F)c1 360817530 QAHCGXYKOSSLTR-UHFFFAOYSA-N 317.280 -0.070 30 20 DBED C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCN(S(=O)(=O)NC)CC1 412322634 UGLFCQHHZPCPJR-VXGBXAGGSA-N 317.411 -0.424 30 20 DBED C#C[C@@H](C)N(C)CC(=O)N(CCOC)[C@H]1CCS(=O)(=O)C1 491497754 ZXLBKFVJAOVMEG-OLZOCXBDSA-N 316.423 -0.398 30 20 DBED N#Cc1ccc(OCC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1 519183679 UMJCSGWXFJPORU-OCCSQVGLSA-N 314.345 -0.293 30 20 DBED CC#CC[C@@H](NS(=O)(=O)N(C)CCC(=O)OC)C(=O)O 542862514 BTAKVHBUEHKRJE-SECBINFHSA-N 306.340 -0.818 30 20 DBED C[C@@H]1CN(CCNS(=O)(=O)c2cncc(C#N)c2)CCO1 569533408 HVQRBDYRWRJNLH-LLVKDONJSA-N 310.379 -0.048 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H](C(=O)O)c1ccnn1C 576636776 JPBXTLWHIDYFKH-PSASIEDQSA-N 315.355 -0.528 30 20 DBED Cn1nnc2cc(S(=O)(=O)N3CCN(CC#N)CC3)ccc21 592022899 OKLNOAUPTMLPLL-UHFFFAOYSA-N 320.378 -0.202 30 20 DBED Cc1cc(NC(=O)C(=O)N2CCNC(=O)C[C@@H]2C)ncc1C#N 594290953 FUSQKNYHZPRIHR-JTQLQIEISA-N 315.333 -0.063 30 20 DBED CC(=O)N1CCN(C(=O)[C@@H](C)n2ccc(C#N)cc2=O)CC1 596326952 BCQCZILORBKXHU-LLVKDONJSA-N 302.334 -0.028 30 20 DBED N#CCCN1CCN(C(=O)C(=O)NCCCn2cccn2)CC1 602234148 YTTSTYIPQZHUAA-UHFFFAOYSA-N 318.381 -0.553 30 20 DBED CC#CC[C@@H](CO)NC(=O)COCC(=O)NCc1cccnc1 649188695 PWACWTMGIAORQP-AWEZNQCLSA-N 319.361 -0.395 30 20 DBED CCC(=O)C[C@@H](NS(=O)(=O)N(C)C[C@H](C)C#N)C(=O)O 650412588 OSRSQNRBAJVVOC-PSASIEDQSA-N 305.356 -0.265 30 20 DBED CC[C@@H](CC#N)N[C@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O 653757460 VBIXYSKXXPVIIE-BDAKNGLRSA-N 307.354 -0.481 30 20 DBED Cn1c(SCCS(C)(=O)=O)c(C#N)c(=O)n(C)c1=O 730569218 JWOSECYBGPFTNH-UHFFFAOYSA-N 303.365 -0.908 30 20 DBED C#CCOc1ccc(NC(=O)C(=O)NCCC(=O)NC)cc1 731126384 UIPWAAHTWQUNDA-UHFFFAOYSA-N 303.318 -0.111 30 20 DBED COc1cc(C=NN[C@H](C)CO)cc(OC)c1OCC(N)=O 749814876 DGXTXJSNXSIKQP-SECBINFHSA-N 311.338 -0.128 30 20 DBED C#CCOCCNC(=O)N[C@@H]1CCc2nc(COC)nn2C1 753230348 UZHYVQNKMFYRPV-LLVKDONJSA-N 307.354 -0.312 30 20 DBED COC(=O)c1ccc(NN=Cc2cn(CC(=O)O)nn2)nc1 758119131 UQLHCMCHALBTPC-UHFFFAOYSA-N 304.266 -0.010 30 20 DBED C#CCOCCNC(=O)C(=O)Nc1ccn(CCCOC)n1 785163123 AQDJUPQNRVOIOK-UHFFFAOYSA-N 308.338 -0.376 30 20 DBED C#CCCCNC(=O)C(=O)NC[C@@H]1CN(CC(C)C)CCO1 785394535 BNZRYPFKBYOQBM-CQSZACIVSA-N 309.410 -0.011 30 20 DBED C#CCOCCC(=O)NS(=O)(=O)[C@H](C)[C@H](C)C(=O)OC 788039396 GZCJRQSJUAXAHJ-VHSXEESVSA-N 305.352 -0.330 30 20 DBED C#CCC[C@H](O)CNS(=O)(=O)c1cnn(CCOC)c1 798487729 XZQPDMOYTKHCRP-NSHDSACASA-N 301.368 -0.418 30 20 DBED C=CCN1CC[C@@H](OC(=O)CCN2CCCS2(=O)=O)C1=O 798599728 KZRLPBYDVDOABI-LLVKDONJSA-N 316.379 -0.258 30 20 DBED CCOC(=O)C(=O)c1cc(S(=O)(=O)N[C@@H](C)C#N)cn1C 808542449 KTAACRKVACDPCR-QMMMGPOBSA-N 313.335 -0.039 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)Cc2ccoc2)CC1 831568899 UINNCJXEEAMCET-UHFFFAOYSA-N 311.363 -0.566 30 20 DBED N#CCN(CC(=O)O)C[C@@H](O)CN1C(=O)c2ccccc2C1=O 833067825 YQDWUDAWRAFODR-SNVBAGLBSA-N 317.301 -0.446 30 20 DBED C/N=C(/NCCN1CCOCC1)NCc1nc(C2CC2)no1 848998225 HLVJHCYPMCPIQD-UHFFFAOYSA-N 308.386 -0.056 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N1CCCN(CC)C(=O)C1 875595429 BDHVKFGDXPCAOE-CYBMUJFWSA-N 323.393 -0.388 30 20 DBED C#CC1(O)CN(S(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)C1 908229697 RZIYGURYYAIMSQ-UHFFFAOYSA-N 323.374 -0.381 30 20 DBED C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)NCC#CCO)CC1 923776657 KBRCLTJZSUNVHR-AWEZNQCLSA-N 322.409 -0.680 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)CC2CS(=O)(=O)C2)C1 938204585 LUWNVSASFQSIDM-ONGXEEELSA-N 313.379 -0.702 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@@H]1CCN(C(=O)C(N)=O)C1 942987511 VIQKSPYTSQTIAP-UTUOFQBUSA-N 309.366 -0.488 30 20 DBED Cc1nccc(C(=O)NC[C@@H]2CN(C(=O)[C@H](C)C#N)CCO2)n1 944603404 ZXEMBXIYHOAQHN-ZYHUDNBSSA-N 317.349 -0.098 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H]1CN(C(=O)COC)CCO1 944647697 OZHHQCWEYBUGCB-KBPBESRZSA-N 323.393 -0.926 30 20 DBED C[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)CC[C@@H]1NC(=O)C(N)=O 945280898 ZDSVAZPKMBGZLN-WPRPVWTQSA-N 303.322 -0.662 30 20 DBED C=C1CCC(C(=O)N[C@@H]2CN(C(=O)CC(N)=O)C[C@H]2OC)CC1 946577361 DUVWTFCGMIDVBM-CHWSQXEVSA-N 323.393 -0.050 30 20 DBED C#CCN1CCOC2(CCN(C(=O)[C@H]3CCC(=O)NC3)CC2)C1 949405691 FOTISMRIJKRIEI-AWEZNQCLSA-N 319.405 -0.161 30 20 DBED Cc1nc(C(=O)N(C)C2CN(C(=O)[C@H](C)C#N)C2)c(=O)[nH]c1C 954588849 XONYMTBCAAVFFP-MRVPVSSYSA-N 317.349 -0.171 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)C(N)=O)[C@H](C)C2)cn1 955795626 LDJHWXMLCZVPPH-ZWNOBZJWSA-N 314.345 -0.343 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2cn(C)c(C)cc2=O)C1 958150839 ATTAUUIHWJIJCM-IUODEOHRSA-N 303.362 -0.651 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cnc3c(c2)nnn3C)C1 958268358 UNUODPAAYPBILV-WCQYABFASA-N 314.349 -0.981 30 20 DBED C=C(C)CN1C[C@H](CNC(=O)c2coc(C(N)=O)c2)[C@@H](O)C1 958277097 NDGFQIQOBQNCNU-RYUDHWBXSA-N 307.350 -0.023 30 20 DBED C#CCCN1C[C@H](CNC(=O)c2cc(C(N)=O)co2)[C@@H](O)C1 958389542 IGCXQOBIOHTPBE-RYUDHWBXSA-N 305.334 -0.576 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)c3cn[nH]c3)C[C@@H]2O)[nH]1 962329945 VDENZRFBQKCBQI-NEPJUHHUSA-N 314.305 -0.775 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CN(C(=O)C(F)F)C[C@@H]2O)nn1 963310339 POFYVJGPKNXYGN-APPZFPTMSA-N 315.280 -0.969 30 20 DBED C[C@H](C#N)C(=O)N1CCOC2(CN(C(=O)c3cccnn3)C2)C1 965468483 UFAXLZADUHUPOM-LLVKDONJSA-N 315.333 -0.310 30 20 DBED C=CCNC1CC2(C1)CC(NC(=O)[C@H]1CCS(=O)(=O)N1)C2 965925612 OABZNLPLWVAXPY-QBQCOZBMSA-N 313.423 -0.119 30 20 DBED CCN(C(=O)C1CC(=O)NC(=O)C1)C1CN(C(=O)[C@H](C)C#N)C1 968147040 VKAKHUPWEHSZCV-SECBINFHSA-N 320.349 -0.742 30 20 DBED C[C@H](NC(=O)c1ccc(C#N)[nH]1)C1CN(Cc2nc(O)n[nH]2)C1 969513450 DDKHPICCGGRDBM-QMMMGPOBSA-N 315.337 -0.040 30 20 DBED CN(Cc1nnnn1C)[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 971371041 BWGOWFIEHIHPIC-LBPRGKRZSA-N 314.353 -0.244 30 20 DBED CN(CC#N)[C@@H]1CCN(C(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 971995959 JRNMVNVJHOFPPL-PWSUYJOCSA-N 302.338 -0.578 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)C(N)=O)C[C@H]21 972410714 WHJYLPXYRSRXHR-LPWJVIDDSA-N 321.377 -0.488 30 20 DBED CN(C)C(=O)CN1C[C@H]2[C@H](CNC(=O)c3c[nH]c(C#N)c3)[C@H]2C1 978011333 AAMSIBODYHHVCJ-ZSOGYDGISA-N 315.377 -0.118 30 20 DBED C=C(C)CN1C[C@H]2C(CNC(=O)c3cn(C)c(=O)nc3O)[C@@H]2C1 979078695 YTTCGKSVXLANCF-RYUDHWBXSA-N 318.377 -0.030 30 20 DBED C#CCN[C@H]1CCC[C@@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)C1 981439172 AUJYQPMTUZPCNQ-NWDGAFQWSA-N 320.393 -0.033 30 20 DBED C#CCN[C@@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)[C@H]1C 987355894 SNZBYEDWUZONJS-VHSXEESVSA-N 300.322 -0.757 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CN(C)C(=O)[C@@H]2COC(=O)N2)CC1 988626190 WEIFIAHQBJJNHQ-JQWIXIFHSA-N 322.365 -0.049 30 20 DBED O=C(N[C@@H]1CCN(C(=O)C#CC2CC2)C[C@H]1O)C1=CCOCC1 991422849 IEQOTWODEGUKGE-HUUCEWRRSA-N 318.373 -0.176 30 20 DBED C#Cc1cncc(C(=O)NC2CN(C(=O)c3ncn(C)n3)C2)c1 999301261 AITAWUQWYVKNFT-UHFFFAOYSA-N 310.317 -0.554 30 20 DBED N#CCN1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCOC3)nn2)C1 999963460 QKQPFNXBNWEPJG-DGCLKSJQSA-N 304.354 -0.299 30 20 DBED CN(C[C@@H]1CCCN1C(=O)C#CC1CC1)C(=O)[C@@H]1COC(=O)N1 1002483744 BKAJHUFSDSCHMI-STQMWFEESA-N 319.361 -0.042 30 20 DBED C[C@H](C#N)C(=O)N1CC(CNC(=O)c2cn3c(n2)COCC3)C1 1002900808 JXQCUHCGEGRHRN-SNVBAGLBSA-N 317.349 -0.239 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](NC(=O)c2ncn(C)n2)C(C)(C)C1 1008112504 PBIDSXWLJXVNDD-UWVGGRQHSA-N 304.354 -0.058 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 1015456839 PCDNJLCNMBAGTQ-LLVKDONJSA-N 314.353 -0.479 30 20 DBED C=CCCN1CCC2(CC1)C[C@H]2NC(=O)CN1CCNC(=O)C1 1016761526 LYIYSNKDSAJKNP-CQSZACIVSA-N 320.437 -0.035 30 20 DBED N#CCN1CCC2(CC1)C[C@H]2NC(=O)c1nccnc1C(N)=O 1016966042 VCRRSAFPWKIZFZ-SNVBAGLBSA-N 314.349 -0.317 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC2(CN(C(=O)C(N)=O)C2)C1 1019357323 AJPRWIFOIBFNQK-RYUDHWBXSA-N 321.377 -0.486 30 20 DBED N#CCN[C@@H]1CC[C@H]2CN(C(=O)CN3CCC(=O)NC3=O)C[C@H]21 1026399361 UFQXUJTXINPJIX-QJPTWQEYSA-N 319.365 -0.722 30 20 DBED C#CCCN1CCC[C@H]1CNC(=O)[C@@H]1CN(C(C)=O)CCO1 1028295954 XABBZGFRJIUEAG-GJZGRUSLSA-N 307.394 -0.162 30 20 DBED N#CCN1[C@H]2CC[C@H]1CN(C(=O)CC[C@@H]1NC(=O)NC1=O)C2 1029577284 LHEXOKKSJFCQFO-DCAQKATOSA-N 305.338 -0.827 30 20 DBED C#CCN1CCC(C(=O)NC2CN([C@@H]3CCNC3=O)C2)CC1 1031436436 HLKYXPALZUTPCW-CQSZACIVSA-N 304.394 -0.980 30 20 DBED C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cn(C)c(=O)n(C)c1=O 1032661060 PEYTXZRALLWNJJ-RYUDHWBXSA-N 316.361 -0.994 30 20 DBED C=C(C)CCN1CC[C@@H](N(C)C(=O)Cn2cnc(C(N)=O)n2)C1 1033097054 UQHRSRHZBSNUKM-GFCCVEGCSA-N 320.397 -0.124 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CCN(Cc2nnnn2C)C1 1033432590 PLONEEQDDMSIIP-UPJWGTAASA-N 320.397 -0.166 30 20 DBED C#CCN1CCCC[C@@H](NC(=O)[C@@H]2CN(C(C)=O)CCO2)C1 1034506690 CNYMGDHIGXTXJS-CABCVRRESA-N 307.394 -0.162 30 20 DBED C=CCn1cccc1C(=O)NC[C@@H]1CN([C@@H](C)C(N)=O)CCO1 1035401933 OPRFRPXZQURTAE-QWHCGFSZSA-N 320.393 -0.022 30 20 DBED C=CCN1CCO[C@H](CNC(=O)[C@H]2CCCN(C(N)=O)C2)C1 1035435015 LLSGRMBOSBKSES-QWHCGFSZSA-N 310.398 -0.220 30 20 DBED N#CCN1CCO[C@@H](CNC(=O)[C@@H]2CN3CC4CC3(CO2)C4)C1 1035445224 AYTZMGNXOBKWNE-WJEHIRDRSA-N 320.393 -0.810 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CN(Cc2cnon2)CCO1 1035510515 LGKXNWPPIIOBNR-MCIONIFRSA-N 322.365 -0.022 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)[C@@H]2CCCS2(=O)=O)C1 1035611292 ROWAXXHZLCPITG-RYUDHWBXSA-N 300.380 -0.986 30 20 DBED C#CCN1CC2(CCN(C(=O)CC3CS(=O)(=O)C3)CC2)C1 1035737205 GUQBMPZYOKGYBY-UHFFFAOYSA-N 310.419 -0.021 30 20 DBED N#CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)c1ccc2c(c1)C(=O)NC2=O 1037682516 BGLVCDQFBJBGAT-ICCXJUOJSA-N 310.313 -0.104 30 20 DBED C=C(Cl)CN1C[C@H]2C[C@H]1[C@@H]2NC(=O)Cn1c(O)nnc1O 1037700241 QEODXKJKGSAHDO-KHQFGBGNSA-N 313.745 -0.369 30 20 DBED CC#CCN1CC[C@H]1CNC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 1038251528 BRMCYUYTTNFMSX-STQMWFEESA-N 315.377 -0.024 30 20 DBED CN1C(=O)CN(CC(=O)N2[C@H]3CC[C@H]2CN(CC#N)CC3)C1=O 1039458585 DGHOYFXHEXQWHR-RYUDHWBXSA-N 319.365 -0.531 30 20 DBED CC(=O)N[C@H](C)C(=O)N1CC[C@](O)(CNC(=O)C#CC(C)C)C1 1039664481 QTODKHZTPPKMOR-WBMJQRKESA-N 323.393 -0.750 30 20 DBED CC#CCCCC(=O)NC[C@]1(O)CCN(C(=O)c2cnon2)C1 1040607709 YLDZRGDKNGQYIS-OAHLLOKOSA-N 320.349 -0.044 30 20 DBED CC#CCCCC(=O)NC[C@@]1(O)CCN(C(=O)CC(=O)NC)C1 1040609240 NRUCMGHBYVNPMR-INIZCTEOSA-N 323.393 -0.604 30 20 DBED Cc1nc(O)[nH]c1C(=O)N1CC[C@@](O)(CNC(=O)[C@@H](C)C#N)C1 1040762015 YNOWZVAUVIDVNP-RMLUDKJBSA-N 321.337 -0.723 30 20 DBED N#Cc1nccnc1N1C[C@@H]2CCN(C(=O)c3cnn[nH]3)[C@@H]2C1 1040883702 FQLCKQRONZMHFM-JOYOIKCWSA-N 310.321 -0.183 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CN(c3ccc(C#N)nn3)C[C@H]2O)c1 1040962101 SPXRVJIPJGVRHK-CHWSQXEVSA-N 323.316 -0.472 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)C2CCOCC2)C1 1041127613 RZKXAGMORDXNFU-GFCCVEGCSA-N 324.377 -0.859 30 20 DBED C#CCN1CC[C@@]2(CCN(C(=O)CCn3ncn(C)c3=O)C2)C1 1041504900 DDRJJKOXLJDVMN-MRXNPFEDSA-N 317.393 -0.471 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)C[C@@H]2CCNC2=O)C1 1041960828 WRYKXCLIDFUDDP-NSHDSACASA-N 309.366 -0.832 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)CCCN(C)C)C1 1042047181 LESCFDCQAFSRQP-UHFFFAOYSA-N 313.398 -0.780 30 20 DBED Cc1ncc(C(=O)NCC2(O)CN(C(=O)CSCC#N)C2)[nH]1 1042078413 GAKMEJPPCXXIRD-UHFFFAOYSA-N 323.378 -0.722 30 20 DBED C=CCN1CC[C@@H](N2CC(N(C)C(=O)c3ncn(C)n3)C2)C1=O 1042688627 GSWAOMRRWJKAQU-GFCCVEGCSA-N 318.381 -0.642 30 20 DBED O=C(NCC1(O)CN(C(=O)C#CC2CC2)C1)c1ncccc1O 1042715839 CHHWQQAUHGDCCH-UHFFFAOYSA-N 315.329 -0.496 30 20 DBED CO[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1NC(=O)c1cocn1 1042777123 YYGHOPZILOMMBB-ZYHUDNBSSA-N 314.305 -0.030 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(O)CN(C(=O)CC(F)(F)F)C1 1042806012 BNKUSEOULJMINZ-LLVKDONJSA-N 324.299 -0.045 30 20 DBED C#CCCCCC(=O)N1CC(O)(CNC(=O)c2ncn(C)n2)C1 1042894176 XCKGVSVTWVZDIF-UHFFFAOYSA-N 319.365 -0.688 30 20 DBED Cc1c[nH]c(C(=O)N2CC(O)(CNC(=O)C#CC3CC3)C2)n1 1042963108 GTEQPJHMRPQUBL-UHFFFAOYSA-N 302.334 -0.565 30 20 DBED O=C(C#CC1CC1)NCC1(O)CN(C(=O)CCc2cnc[nH]2)C1 1042964521 HQDDCHKSWOHNCW-UHFFFAOYSA-N 316.361 -0.555 30 20 DBED C=CCn1cc(C(=O)NCC2(O)CN(C(=O)C(C)(C)C)C2)nn1 1043106529 RXYRMROXXGAZDS-UHFFFAOYSA-N 321.381 -0.187 30 20 DBED CC1(C(=O)NCC2(O)CN(C(=O)c3cc(C#N)c[nH]3)C2)CC1 1043374067 CATZMMZTDHKHDS-UHFFFAOYSA-N 302.334 -0.010 30 20 DBED C#CCN1CCC(C(=O)NCC2(O)CN(C(=O)C3CC3)C2)CC1 1043428298 YMNZOUULZOGMRF-UHFFFAOYSA-N 319.405 -0.569 30 20 DBED C=CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)[C@H]2CCOC2)C1 1043568697 BJPJYABPSRCOIV-NEPJUHHUSA-N 312.366 -0.697 30 20 DBED C[C@]1(C(=O)N[C@@H]2CN(c3nccnc3C#N)C[C@@H]2O)CCOC1 1044144309 GLFDZMFEORIHEJ-XUJVJEKNSA-N 317.349 -0.559 30 20 DBED C=CCN1CC[C@H](N2CC(N(C)C(=O)[C@@H]3CCN(C)C3)C2)C1=O 1044292088 IWPDIQYNUALLRQ-HIFRSBDPSA-N 320.437 -0.132 30 20 DBED CC#CCCCC(=O)NCC1(O)CN(C(=O)c2cncnc2)C1 1044994516 UQMNIOQQGJPPIZ-UHFFFAOYSA-N 316.361 -0.027 30 20 DBED C=CCN1CC[C@@H](N2CCN(C(=O)[C@H]3COC(=O)N3)CC2)C1 1046027426 MBYPEBRTMOKSCZ-CHWSQXEVSA-N 308.382 -0.501 30 20 DBED C=CCCN1CC[C@@H](N2CCN(C(=O)[C@@H]3CNC(=O)N3)CC2)C1 1046058974 WRFYDYBQHDPVLH-KGLIPLIRSA-N 321.425 -0.538 30 20 DBED CC#CCN1CC[C@H](N2CCN(C(=O)c3cnon3)CC2)C1 1046071928 BMQJKWZDPZDWRC-ZDUSSCGKSA-N 303.366 -0.075 30 20 DBED N#Cc1ccc(N[C@H]2C[C@H](CNC(=O)[C@@H]3COC(=O)N3)C2)nn1 1046808928 MLRMVWSXQXIOHC-LSJOCFKGSA-N 316.321 -0.237 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)Cc2cn3c(n2)CCCC3)C1 1047389079 RHYADYZIFGTGIK-GJZGRUSLSA-N 316.405 -0.101 30 20 DBED C=CCCN1C[C@H](O)[C@@H](N(C)C(=O)Cn2ccc(O)nc2=O)C1 1047446265 YCEMLIUWJOZBRH-RYUDHWBXSA-N 322.365 -0.972 30 20 DBED CN(C(=O)c1ccc2ncn(C)c2n1)[C@H]1CN(CC#N)C[C@@H]1O 1047525508 NCUFQTLQMMULQU-STQMWFEESA-N 314.349 -0.391 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(N(C)C)nn2)C1 1047599000 CYDHAGOIIOFTGO-STQMWFEESA-N 303.366 -0.707 30 20 DBED C#CCCN1CC[C@@H]2[C@@H]1CCCN2C(=O)CN1C(=O)CNC1=O 1049888109 XRWBPHZAHZBVSJ-QWHCGFSZSA-N 318.377 -0.373 30 20 DBED C#CCCN1CCOC[C@H]1CNC(=O)c1ccn(C)c(=O)c1 1050984766 BVTCUTZKFWEVJY-CQSZACIVSA-N 303.362 -0.161 30 20 DBED CCn1ncc(C(=O)N2CC[C@@H](N3CCN(CC#N)CC3)C2)n1 1052022023 SMMSFCNELVBZBY-CYBMUJFWSA-N 317.397 -0.346 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(C(=O)CC(N)=O)C[C@@H]1C 1052267165 WTIVTKCKPJGRDS-NWDGAFQWSA-N 309.366 -0.888 30 20 DBED CC#CCN1CCC[C@@H](NC(=O)CN2CCNC(=O)C2)CC1 1052621787 IOKWFLORBSDDMV-CQSZACIVSA-N 306.410 -0.588 30 20 DBED N#CCN1CC2(CC[C@H](CNC(=O)c3cnnc(O)c3)O2)C1 1053614726 OPJSZKGJZAIBIJ-LLVKDONJSA-N 303.322 -0.331 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)CO2)C1 1053880260 MOPSSFBTXVQJFA-ZQDZILKHSA-N 320.389 -0.369 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)c3cccc(=O)n3C)CO2)C1 1053921849 PWEKMFLMCLSTEA-LBPRGKRZSA-N 301.346 -0.408 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2COC3(C2)CN(CCO)C3)cn1 1053985757 YQWGJQGXRLGNDY-CQSZACIVSA-N 301.346 -0.372 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)c3ccc(C(N)=O)cn3)CO2)C1 1054023123 UJFCPWITVXGJHR-GFCCVEGCSA-N 314.345 -0.613 30 20 DBED C[C@H](C#N)C(=O)N[C@@]1(CO)CCCN(C(=O)c2csnn2)C1 1056095460 BSSPQGMDHFPWOH-RNCFNFMXSA-N 323.378 -0.219 30 20 DBED CC(C)C#CC(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)CNC(N)=O 1056390229 RNFPTWAZHDYWDK-CHWSQXEVSA-N 320.393 -0.094 30 20 DBED CS(=O)(=O)CC(=O)N1CC[C@@H](N=c2cc[nH]cc2C#N)C1 1056580987 YEEGWACCVTWKJX-LLVKDONJSA-N 308.363 -0.567 30 20 DBED CN(c1nccnc1C#N)[C@H]1CCN(C(=O)[C@@H]2COCCO2)C1 1056868732 HKBVLXHULZRRTJ-AAEUAGOBSA-N 317.349 -0.199 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)[C@H](C)S(C)(=O)=O 1057174849 KIAOVOIEMWIOJK-NSHDSACASA-N 320.411 -0.677 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)Cc1ccon1 1057193516 IAKUSNVUJFBMEY-UHFFFAOYSA-N 311.338 -0.643 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)[C@@H]1C[C@@H](C)CO1 1057193754 OZPQARPNQJDZKS-OLZOCXBDSA-N 314.382 -0.449 30 20 DBED CO[C@H](C)CC(=O)NCCN(CCO)C(=O)c1cc(C#N)c[nH]1 1057291765 PQVFESVSSYYOQL-LLVKDONJSA-N 322.365 -0.138 30 20 DBED Cn1nnc(C(=O)N[C@H]2CCCN(c3ccc(C#N)nc3)C2)n1 1058219327 QBDLRAZZJDPHNF-NSHDSACASA-N 312.337 -0.124 30 20 DBED N#Cc1ccc(N2CC[C@@H](NC(=O)[C@H]3CCCNC3=O)C2)nn1 1058467852 UUCMYNMUGQGHDR-NEPJUHHUSA-N 314.349 -0.431 30 20 DBED COCCOCCC(=O)NCCN(CCO)C(=O)[C@@H](C)C#N 1058660679 FTVCILWMRJEMEG-LBPRGKRZSA-N 315.370 -0.864 30 20 DBED Cn1cc(C(=O)N2[C@H]3CC[C@H]2CN(c2cnc(C#N)cn2)C3)nn1 1058753197 HJKOGCYSXSFOAR-RYUDHWBXSA-N 324.348 -0.030 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](CNc2nccn3nnnc23)C1 1060826458 YHUOJCAQQZLOLU-UWVGGRQHSA-N 300.326 -0.061 30 20 DBED C=CCOCC(=O)NC[C@@H]1COCCN1C(=O)c1cnn(C)c1 1061421982 YPYLBNYLTXKYOR-CYBMUJFWSA-N 322.365 -0.420 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H]1COCCN1C(=O)c1cnon1 1061587453 NNEQOPZNIGCONN-WDEREUQCSA-N 322.321 -0.935 30 20 DBED C=CCCCC(=O)N1CCOC[C@H]1CNC(=O)Cn1nccn1 1061620117 ZXRANQVHIJTLKN-CYBMUJFWSA-N 321.381 -0.022 30 20 DBED C#CCCCC(=O)NCC1(NC(=O)c2nnn(C)n2)CCC1 1062862577 ALNQXZLQRUVNNJ-UHFFFAOYSA-N 304.354 -0.218 30 20 DBED C=CCC(C)(C)C(=O)N1CCO[C@@H](CNC(=O)CC(N)=O)C1 1065159328 PEJYZFYBRRJIRG-NSHDSACASA-N 311.382 -0.192 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)CNC(=O)NC)CCO1 1065249481 MKHBMVGQRLACQA-GFCCVEGCSA-N 324.381 -0.938 30 20 DBED Cc1cc(C#N)nc(N2C[C@H]3CN(C(=O)c4nc[nH]n4)C[C@H]3C2)n1 1066017492 OLPZVJWPYMYJDY-PHIMTYICSA-N 324.348 -0.017 30 20 DBED C=CCOCC(=O)N(C)CCCN(C)C(=O)CNC(N)=O 1066768527 BOEKQBPYBVKTCN-UHFFFAOYSA-N 300.359 -0.836 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCOC2(C1)CN(C(=O)[C@H](C)C#N)C2 1068388971 SWHDCUFZJKERAM-DOMZBBRYSA-N 321.377 -0.087 30 20 DBED C=CCOCC(=O)N1CC2(C[C@H](NC(=O)[C@H]3CCOC3)CO2)C1 1068739721 QRILXORCKPYCMH-STQMWFEESA-N 324.377 -0.288 30 20 DBED CNC(=O)CC(=O)N[C@@H]1COC2(C1)CN(C(=O)C#CC1CC1)C2 1068831441 NLHLYIOKMCKFHZ-LBPRGKRZSA-N 319.361 -0.978 30 20 DBED Cn1ncc(C(=O)N2C[C@@H]3C[C@@H]4CN(CC#N)C[C@]3(C2)O4)c1N 1070790475 YGFHUHOMXFNVDB-FIXISWKDSA-N 316.365 -0.559 30 20 DBED CN1CC[C@@H](C(=O)N2C[C@@H]3C[C@@H]4CN(CC#N)C[C@]3(C2)O4)C1=O 1070839012 DSIQSIAAJOTCIF-VPWBDBDCSA-N 318.377 -0.710 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](NC(=O)CCCF)[C@H](C)C1 1071940350 VRLFLDZOYNPJOY-VXGBXAGGSA-N 311.357 -0.161 30 20 DBED CC(C)C#CC(=O)N1C[C@H](C)[C@@H](NC(=O)C2(NC(N)=O)CC2)C1 1072035857 QPIQMTRMZYBVJK-RYUDHWBXSA-N 320.393 -0.190 30 20 DBED COC(=O)NCC(=O)N[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1C 1072050249 ZVCGEMAMTNBXTE-PWSUYJOCSA-N 307.350 -0.281 30 20 DBED C=CCCCC(=O)N1C[C@H](C)[C@@H](NC(=O)Cn2cnnn2)C1 1072629450 IRVMLKYRIGOWQK-RYUDHWBXSA-N 306.370 -0.008 30 20 DBED CNC(=O)NCC(=O)NC1(C)CCN(C(=O)C#CC2CC2)CC1 1073012848 GUMHTSXDYNMLIF-UHFFFAOYSA-N 320.393 -0.174 30 20 DBED N#CCN1CCC2(C1)CN(C(=O)CCn1cnccc1=O)C2 1073087263 NQVLAHXBJRVKBA-UHFFFAOYSA-N 301.350 -0.309 30 20 DBED C#CCCN1CCO[C@@H]2CCN(C(=O)c3cnn(C)c3N)C[C@@H]21 1074222137 CFWIPOHLRQVLKH-UONOGXRCSA-N 317.393 -0.059 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)CC(C)(C)O 1076317289 RUIULEYUXKTVHR-NSHDSACASA-N 311.382 -0.702 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCn3c(cnc3C)C2)C1 1077683114 ZWBJLLLKRWULIJ-FVQBIDKESA-N 316.405 -0.061 30 20 DBED COCC(=O)NCCC(=O)N[C@@H](C)CCNC(=O)[C@H](C)C#N 1078134882 LHZXXVUATQPLQV-MNOVXSKESA-N 312.370 -0.690 30 20 DBED C#CCCCCC(=O)N(CC)C1CN(C(=O)[C@@H]2CNC(=O)N2)C1 1079640814 KJDIGJVVOVKWDX-ZDUSSCGKSA-N 320.393 -0.079 30 20 DBED C#CCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)c2nc[nH]n2)C1 1079776509 IFEVFLGDOLCUJI-JTQLQIEISA-N 305.338 -0.484 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@H]2CC(=O)N(CC(C)C)C2)[C@H](OC)C1 1081761791 NACDYECCNDBFQO-RRFJBIMHSA-N 321.421 -0.061 30 20 DBED C#CCCN1C[C@@H](NC(=O)c2cn(CC=C)nn2)[C@H](OC)C1 1082213254 SFFRGORDWCUZCB-TZMCWYRMSA-N 303.366 -0.084 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)Cc1ccnn1C 1083066915 BEJJVWULZFNGKD-LSDHHAIUSA-N 302.378 -0.103 30 20 DBED C=C(Cl)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)Cn1cncn1 1083266860 UTGWKZFEQBZTJP-NWDGAFQWSA-N 311.773 -0.058 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2c[nH]c3ccncc3c2=O)C1 1083495610 ISRDRDMKMQCNOP-OLZOCXBDSA-N 313.317 -0.778 30 20 DBED Cc1nc(N(C)C)sc1C(=O)N[C@@H]1CN(CC#N)C[C@@H]1O 1083837958 YBIWTGNQXFRJHY-ZJUUUORDSA-N 309.395 -0.184 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)c2ccc(=O)n(CC)n2)C1 1083869619 PTALIYOQKAZVAB-OLZOCXBDSA-N 306.366 -0.386 30 20 DBED CC#CCN1CC[C@H]1CN(C)C(=O)[C@H]1CN(C(C)=O)CCO1 1085952425 BOHSOBKMHDQQNA-LSDHHAIUSA-N 307.394 -0.210 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2C[C@H](N[C@H](C)C(N)=O)C2)nn1 1086499384 CTSRXEHRJAHBIL-GMTAPVOTSA-N 306.370 -0.564 30 20 DBED C[C@@H](C[C@H](C)NC(=O)c1cn(C)nn1)N=c1cc[nH]c(C#N)n1 1089291197 LUSXROSWPBGWTL-UWVGGRQHSA-N 314.353 -0.092 30 20 DBED COCC(=O)NC[C@H]1CN(c2ccnc(C#N)n2)CCCO1 1089513560 XHIKREZORYGLRA-NSHDSACASA-N 305.338 -0.294 30 20 DBED C=CCN1CC[C@@H](NC(=O)Cn2ccc(C)cc2=O)[C@H](O)C1 1090609042 JDYPTGXGXSBMOP-ZIAGYGMSSA-N 305.378 -0.106 30 20 DBED N#CCN1CC[C@H](NC(=O)c2cc(C(N)=O)cs2)[C@@H](O)C1 1090834561 WZDDEAMIZIFFCW-UWVGGRQHSA-N 308.363 -0.464 30 20 DBED COC(=O)c1cnc(N2C[C@H](O)[C@H](NC(=O)[C@@H](C)C#N)C2)nc1 1091078887 FVDOEPYQTCVDCX-GDPRMGEGSA-N 319.321 -0.911 30 20 DBED CCOc1cc(N2C[C@H](O)[C@H](NC(=O)[C@H](C)C#N)C2)ncn1 1091083170 RJJBXHMNIZUPOE-MXWKQRLJSA-N 305.338 -0.299 30 20 DBED CC(C)(O)CC(=O)N[C@@H]1CCN(c2cnc(C#N)cn2)C[C@H]1O 1092146949 YIKBJROOWMOHLO-VXGBXAGGSA-N 319.365 -0.435 30 20 DBED CC(=O)N1CC[C@@H](C(=O)NCCNc2ccc(C#N)nn2)C1 1093781435 MPGCPGNLJKHZFF-LLVKDONJSA-N 302.338 -0.255 30 20 DBED CN1CC[C@@H](CC(=O)NCCNc2ccc(C#N)nn2)C1=O 1093960845 NVUGMONZUFANCA-JTQLQIEISA-N 302.338 -0.255 30 20 DBED N#Cc1ccc(NCCNC(=O)CC2CS(=O)(=O)C2)cn1 1093963254 DFKKCCSVISHPDT-UHFFFAOYSA-N 308.363 -0.084 30 20 DBED C[C@]1(C(=O)NCCCNc2nccnc2C#N)CNC(=O)C1 1094670701 LFSQDWVTUXDOAD-CQSZACIVSA-N 302.338 -0.207 30 20 DBED CC#CCN1CC(N2C[C@@H](NC(=O)c3nc(C)c[nH]3)CC2=O)C1 1094794873 ACWYURMIMOSVFB-LBPRGKRZSA-N 315.377 -0.244 30 20 DBED COC(=O)NCC(=O)N1CC[C@@H](Nc2cncc(C#N)n2)C1 1095021574 QZCISYOZXXSEOK-SECBINFHSA-N 304.310 -0.283 30 20 DBED CCC(=O)N[C@@H](C)C(=O)N1CC[C@@H](N=c2cc[nH]c(C#N)n2)C1 1095087404 RXQUGBPWCITZHV-WDEREUQCSA-N 316.365 -0.302 30 20 DBED CNC(=O)CC(=O)N1CCC[C@H](N=c2cc[nH]cc2C#N)C1 1095289234 WCZGHFYXKJGCTN-LBPRGKRZSA-N 301.350 -0.086 30 20 DBED COC(=O)NCC(=O)N[C@H]1C[C@@H](N=c2cc[nH]c(C#N)n2)C1 1097148436 TVPACKZCSQPZSC-DTORHVGOSA-N 304.310 -0.815 30 20 DBED CNC(=O)NCC(=O)N[C@H]1C[C@@H](Nc2ncccc2C#N)C1 1097259130 NWBLEVIXTXHKNT-PHIMTYICSA-N 302.338 -0.059 30 20 DBED N#Cc1cncc(N2CCC[C@H](CNC(=O)CNC(N)=O)C2)n1 1097286822 SIKLDNPCZMSQJA-SNVBAGLBSA-N 317.353 -0.651 30 20 DBED COc1c(O)nc(O)nc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC#N 1098209427 YUCPFAITPVWQCQ-HLTSFMKQSA-N 319.321 -0.245 30 20 DBED C#CCN(CCO)C1CCN(C(=O)C[C@@H]2CCN(C)C2=O)CC1 1098401182 HBDHAMBIZWHERR-AWEZNQCLSA-N 321.421 -0.227 30 20 DBED CNC(=O)CCCC(=O)NCC[C@@H](C)N=c1cc[nH]c(C#N)n1 1098988871 HCCXRZWVWQZFLP-LLVKDONJSA-N 318.381 -0.007 30 20 DBED CC1(C)CC[C@H](CNC(=O)CN2CCOCC2=O)N(CC#N)C1 1099106979 ULRBMXVYYWLPSR-CYBMUJFWSA-N 322.409 -0.024 30 20 DBED COCC#CCN1CC[C@H](NC(=O)Cc2cc[nH]n2)[C@H](O)C1 1099749490 JSJHQGQBHVROER-UONOGXRCSA-N 306.366 -0.847 30 20 DBED C#CCOCCC(=O)N[C@H]1CCN(Cc2n[nH]c(C)n2)C[C@H]1O 1099832386 GXSBHUSKAOCWNB-QWHCGFSZSA-N 321.381 -0.796 30 20 DBED C=CCN1CC[C@@H](NC(=O)CCN2C(=O)CCC2=O)[C@@H](O)C1 1099908664 HOOAILZMVOAPCP-NEPJUHHUSA-N 309.366 -0.737 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)Cc2ncc[nH]2)[C@@H](O)C1 1100047909 CFBQGAFTMFVTMZ-OLZOCXBDSA-N 308.382 -0.294 30 20 DBED Cc1nc(N(C)CCNC(=O)[C@@H]2CCNC2=O)ccc1C#N 1100270212 KMJRSPLKVRZLPO-GFCCVEGCSA-N 301.350 -0.050 30 20 DBED CS(=O)(=O)CC(=O)NC[C@H]1CCCN1c1cncc(C#N)n1 1100800969 MLSJPOVDUUSUAH-LLVKDONJSA-N 323.378 -0.522 30 20 DBED N#Cc1cncc(N2CC[C@@H](CCNC(=O)CNC(N)=O)C2)n1 1102283010 LJHYORDXDFJUQU-SNVBAGLBSA-N 317.353 -0.651 30 20 DBED CC[C@@H](CNC(=O)[C@@H]1CCNC(=O)C1)N=c1cc[nH]c(C#N)n1 1103041075 NFOSMNDAANEYMA-MNOVXSKESA-N 316.365 -0.397 30 20 DBED C[C@H](CN=c1cc[nH]cc1C#N)N(C)C(=O)C1(C(N)=O)CC1 1104793200 QHWOLOWNJSTMGY-SNVBAGLBSA-N 301.350 -0.101 30 20 DBED C#CCNC(=O)CNCc1cn(C2CN(C(=O)C(C)C)C2)nn1 1105159674 UQSYVTYANOMYMA-UHFFFAOYSA-N 318.381 -0.844 30 20 DBED Cc1nc(CC(=O)N(C)CCN(C)c2cnc(C#N)cn2)n[nH]1 1105388289 FWWAWJWKVXZBOD-UHFFFAOYSA-N 314.353 -0.088 30 20 DBED Cc1cc(C(=O)NC[C@@H](O)CNc2cncc(C#N)n2)no1 1105708939 DPHBAVYFNPWVQX-JTQLQIEISA-N 302.294 -0.153 30 20 DBED CO[C@H](C)CC(=O)N1C[C@@H](C)[C@H](CNCC(=O)NCC#N)C1 1105919075 CGCLQPVYOGIOAG-JHJVBQTASA-N 310.398 -0.265 30 20 DBED Cc1cc(=NC[C@@H](O)CNC(=O)CCN(C)C)c(C#N)c[nH]1 1106084984 JYBXPNMTRDXMPE-CYBMUJFWSA-N 305.382 -0.476 30 20 DBED Cc1cc(=NC/C=C\CNC(=O)[C@H](C)NC(N)=O)c(C#N)c[nH]1 1107168508 HINRXUQLLXJAFK-BYCRGOAPSA-N 316.365 -0.175 30 20 DBED C[C@@H](CC(=O)N[C@H](C)CNc1nccnc1C#N)NC(N)=O 1107950704 SBUPTGVWPCBHOL-DTWKUNHWSA-N 305.342 -0.288 30 20 DBED CC#CCN1CCO[C@](C)(CNC(=O)CCN2CCOCC2)C1 1108280563 TZLKQOUAJSCZRU-QGZVFWFLSA-N 323.437 -0.061 30 20 DBED C[C@@H](CNc1ccc(C#N)nn1)NC(=O)CN1CCOCC1 1108318660 HEUDEUSOYONTKJ-NSHDSACASA-N 304.354 -0.403 30 20 DBED N#Cc1cnccc1N1C[C@H]2C[C@H]1[C@H]2NC(=O)CCn1cnnn1 1109718126 ORRFHMJTZAKLMU-DGFSRKRXSA-N 324.348 -0.277 30 20 DBED C#CCCCC(=O)N[C@]12CCC[C@H]1CN(CC(=O)NC(N)=O)C2 1111730192 ZSCZXMGOHNHQQK-LRDDRELGSA-N 320.393 -0.045 30 20 DBED CNC(=O)CC(=O)NCC1(Nc2ccnc(C#N)n2)CCC1 1111786186 CNTUPTJKMWYQAR-UHFFFAOYSA-N 302.338 -0.065 30 20 DBED CC(=O)NCC(=O)N[C@H]1CCN(c2ccc(C#N)nn2)[C@@H](C)C1 1112468161 YUCMQJFNXYMTKL-JQWIXIFHSA-N 316.365 -0.042 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(c2ccnc(C)n2)C[C@@H]1O 1112702612 SWJRJUSCVQCYOX-STQMWFEESA-N 306.366 -0.099 30 20 DBED Cc1ccnc(C(=O)N2CCN(CC(=O)NCC#N)CC2)n1 1112813129 KVTAKGJKQPWZQP-UHFFFAOYSA-N 302.338 -0.817 30 20 DBED C#CCOCCC(=O)N[C@@H](C)[C@@H](C)Nc1nccn2nnnc12 1113166495 VFQITCFJHLTKRF-WDEREUQCSA-N 317.353 -0.136 30 20 DBED CC(=O)N(C)CC(=O)NC[C@@H](C)N(C)c1ccnc(C#N)n1 1113498169 MVIDHLPNRSYERI-SNVBAGLBSA-N 304.354 -0.233 30 20 DBED C[C@H](CNC(=O)[C@H]1CN(C)CCO1)N(C)c1cncc(C#N)n1 1113534346 XZAPUSBMVTYTBA-DGCLKSJQSA-N 318.381 -0.380 30 20 DBED C=CCOCC(=O)N[C@H]1[C@@H]2CN(CC(=O)N3CCOCC3)C[C@@H]21 1114055043 RYYYLSHMPOUYGP-VIKVFOODSA-N 323.393 -0.906 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)c3oc(C)nc3C)[C@@H]2C1 1114093157 KADXTGFROKLFHM-VXGBXAGGSA-N 316.361 -0.299 30 20 DBED C#CCOCCC(=O)NC1[C@H]2CN(CC(=O)NCC3CC3)C[C@H]12 1114266044 LLPHDGUWMCEWOB-KBPBESRZSA-N 319.405 -0.401 30 20 DBED N#Cc1cncc(N2C[C@H]3C(CNC(=O)CC(N)=O)[C@@H]3C2)n1 1114547046 OYTWDGGEWTXWCK-QWRGUYRKSA-N 300.322 -0.978 30 20 DBED C=C(C)CN1C[C@H]2C(NC(=O)CCCS(N)(=O)=O)[C@@H]2C1 1114754498 CPAFUESWCXLVKO-GHMZBOCLSA-N 301.412 -0.322 30 20 DBED C=CCn1cc(C(=O)NC2[C@@H]3CN(CCOCCO)C[C@@H]23)nn1 1114941554 CNFPOKNRDHBDHM-VXGBXAGGSA-N 321.381 -0.867 30 20 DBED CC(C)[C@@H](CCNC(=O)CNC(N)=O)Nc1nccnc1C#N 1115277405 ZRHDVNFLPIJCTO-SNVBAGLBSA-N 319.369 -0.041 30 20 DBED C=CC[C@H](NC(=O)c1ccc(S(=O)(=O)NC)o1)C(=O)O 1116916560 CDWJNZYKQURBQH-ZETCQYMHSA-N 302.308 -0.053 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN3CCC[C@H]3C2)CCO1 1117039527 ATRAOFYCCNHRSS-FRRDWIJNSA-N 306.366 -0.520 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N(C)[C@@H](CO)COC(C)C 1117581863 OIBZGJXAIFQCRV-NEPJUHHUSA-N 302.371 -0.452 30 20 DBED C=CCn1cc(CNC(=O)C(=O)NC[C@H]2CCCNC2)nn1 1118149167 YSEMKESAEHOCNX-NSHDSACASA-N 306.370 -0.804 30 20 DBED COc1ncncc1NC(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1118205268 IWIMYYLYSDJGIV-ZDUSSCGKSA-N 305.294 -0.699 30 20 DBED C=C(CO)C(=O)NCc1csc(N(C)C(=O)C(=C)CO)n1 1118281313 XEABBHKKTJAZMN-UHFFFAOYSA-N 311.363 -0.181 30 20 DBED C[C@H](CN(C)C(=O)[C@@H]1CCNC1=O)Nc1cnc(C#N)cn1 1120408107 LACKFNUXFAIREZ-MWLCHTKSSA-N 302.338 -0.257 30 20 DBED Cc1cc(C#N)nc(N[C@H]2C[C@@H](C)N(C(=O)CNC(N)=O)C2)n1 1123145921 HWNOUIBJVPEHOE-KOLCDFICSA-N 317.353 -0.274 30 20 DBED CNC(=O)NCC(=O)N1C[C@@H](N=c2cc[nH]cc2C#N)C[C@@H]1C 1123318554 ICJZQWOVDJZUJR-JQWIXIFHSA-N 316.365 -0.295 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)c1cc(C)nn1C 1124256805 FRHBTZGFBMEZDM-UHFFFAOYSA-N 322.369 -0.940 30 20 DBED CNC(=O)NCC(=O)N(C)C[C@H](O)CNc1ncccc1C#N 1124845483 PSPKCTLRBJKJQE-LLVKDONJSA-N 320.353 -0.887 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)CCCC(=O)NC)C1=O 1126015325 FRTOEWKEKUBKGH-LBPRGKRZSA-N 310.398 -0.605 30 20 DBED C#CCO[C@@H](C)C(=O)NCCNCC(=O)NC[C@H]1CCCO1 1127047136 YMSDJIJJOHKCOK-QWHCGFSZSA-N 311.382 -0.974 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)[C@@H]2CCN(C)[C@@H]2C)C1=O 1127638181 GBLLEFCIWDJUPB-MGPQQGTHSA-N 308.426 -0.181 30 20 DBED N#Cc1cnc(N2CC=C(CNC(=O)Cn3cncn3)CC2)cn1 1127649034 DRKQLVQFZAVJDR-UHFFFAOYSA-N 324.348 -0.107 30 20 DBED C=CCn1cccc1C(=O)NCCNCC(=O)NC(=O)NCC 1129514413 SMKDCNBDAXMQKK-UHFFFAOYSA-N 321.381 -0.161 30 20 DBED CC(=O)NC(C)(C)C(=O)N1CCC(=O)NCCN(CC#N)CC1 1131387934 CGXNABIYDKILCO-UHFFFAOYSA-N 323.397 -0.925 30 20 DBED C#CCCN[C@@H](C)C[C@@H](C)NC(=O)Cn1cnc(C(N)=O)n1 1134401806 WWLBXNVDCBOBEM-WDEREUQCSA-N 306.370 -0.727 30 20 DBED COCC#CCNCCNC(=O)c1ccc(-n2ccnc2)nn1 1135260499 HCJLKBNAOBBOLZ-UHFFFAOYSA-N 314.349 -0.369 30 20 DBED N#Cc1cn(CCNC(=O)c2ncc3ccccn23)c(=O)nc1O 1148392644 CNRMTGWBKUMRKO-UHFFFAOYSA-N 324.300 -0.102 30 20 DBED C[C@H](Oc1ccccc1)C(=O)NCCNCC(=O)NCC#N 1149778929 QGXHIVMUXLTRAY-LBPRGKRZSA-N 304.350 -0.201 30 20 DBED COCCC1(NC(=O)CS(C)(=O)=O)CCN(CC#N)CC1 1151007138 IBPUUFPINNMSBS-UHFFFAOYSA-N 317.411 -0.458 30 20 DBED C#CCNC(=O)CC(=O)NC1(CCOC)CCN(CC#N)CC1 1151074857 IRJLKQXIAQKDFR-UHFFFAOYSA-N 320.393 -0.363 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)c1cccnc1C(N)=O 1151967236 MMXMISAVMGMLSV-JTQLQIEISA-N 319.365 -0.809 30 20 DBED C=CCO[C@@H](C)C(=O)NCCNCC(=O)NCc1cccnc1 1153135617 VWLPKZKQZUSYGD-ZDUSSCGKSA-N 320.393 -0.005 30 20 DBED C#CCCN(CC)[C@H](C)CNC(=O)CN(C)S(C)(=O)=O 1153710234 HIRWFTCSIZUSRZ-GFCCVEGCSA-N 303.428 -0.272 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)c1ccn(CC)n1 1155622409 WNIPKBWJVAYHOR-GFCCVEGCSA-N 320.397 -0.017 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)CC1OCCCO1 1157061078 VZHKRXIGXVACLE-LBPRGKRZSA-N 313.398 -0.074 30 20 DBED C=CCN(C)C[C@H]1CCCCN1C(=O)CNS(=O)(=O)NC 1158277497 ULOWYJYSIIQDNA-GFCCVEGCSA-N 318.443 -0.461 30 20 DBED N#CCNC(=O)CNCCCNC(=O)c1cnn2c1OCCC2 1161832318 QWVCVFNWFGWQRY-UHFFFAOYSA-N 320.353 -0.985 30 20 DBED COCC1(CNC(=O)c2cc(=O)n(C)o2)CCN(CC#N)CC1 1162236664 TUSROZQTHHTBMD-UHFFFAOYSA-N 322.365 -0.040 30 20 DBED C[C@H](CCCCNCC#N)NC(=O)CN1CCN(C)C(=O)C1 1171606794 YGTNBVYEVOLMSY-CYBMUJFWSA-N 309.414 -0.451 30 20 DBED C=CCNC(=O)CNCCCNC(=O)c1cc(CC)n(C)n1 1177501601 VPVBPNUAAMZAPY-UHFFFAOYSA-N 307.398 -0.006 30 20 DBED C=CCNC(=O)CNCCCCCCNC(=O)c1cnn(C)n1 1179816634 NKGTYNNDSVNCDB-UHFFFAOYSA-N 322.413 -0.003 30 20 DBED COCC#CCN[C@H]1CCN(C(=O)C[C@@H]2CC(=O)NC2=O)[C@H]1C 1180325438 VPDOJTPAPCZPBE-AVGNSLFASA-N 321.377 -0.732 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](NCC(=O)NC(=O)NC(C)(C)C)C1 1181663842 VTYRPPDSNXNPGX-GHMZBOCLSA-N 323.397 -0.039 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@@H](NCC(=O)Nc2ccon2)C1 1182473578 VNTYOTINPBXGJV-VXGBXAGGSA-N 320.349 -0.158 30 20 DBED C=CCNC[C@H]1CCN(C(=O)Cn2c(O)nnc2O)C[C@H]1C 1185575915 XTHABKQSNMRQGR-GHMZBOCLSA-N 309.370 -0.051 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 1189729090 UKIDJCLZFHTHKI-CQSZACIVSA-N 313.361 -0.218 30 20 DBED C#CCOCCC(=O)N1CC[C@H](N(C)[C@H]2CCN(C)C2=O)C1 1190115261 YNCPCUKQKMAFPR-KBPBESRZSA-N 307.394 -0.210 30 20 DBED C=CCO[C@H](C)C(=O)N1CC[C@H]2CN(Cc3nnnn3C)C[C@H]21 1190441241 QRCAEEBHMMSNHA-FRRDWIJNSA-N 320.397 -0.166 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)Cc2n[nH]c(C)n2)CC1 1195780556 FKDCERBYFNCFAJ-UHFFFAOYSA-N 320.397 -0.508 30 20 DBED N#CCNC(=O)CN1CCCN(C(=O)CCOCC2CC2)CC1 1195824603 XZJNROUBCHCKGH-UHFFFAOYSA-N 322.409 -0.023 30 20 DBED C=CCOCCN1CCCN(C(=O)Cn2ncn(C)c2=O)CC1 1196357952 JPUNSACCAJGQCC-UHFFFAOYSA-N 323.397 -0.681 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)Cc2ccnn2C)CC1 1200282338 BKGXODCWJSATSX-UHFFFAOYSA-N 319.409 -0.155 30 20 DBED N#CCNC(=O)CNC1CCN(C(=O)[C@H]2CC2(F)F)CC1 1200390320 VNVHYYNZWKKHNC-SNVBAGLBSA-N 300.309 -0.138 30 20 DBED C=CCOCCNC1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)CC1 1201093938 JWCNDNDTTGFXAX-LBPRGKRZSA-N 324.381 -0.632 30 20 DBED C#CCNC1CCN(C(=O)CS(=O)(=O)CCOC)CC1 1201293282 GJEMLKUHAQQMFO-UHFFFAOYSA-N 302.396 -0.739 30 20 DBED C#CCNC(=O)CN[C@@H]1C[C@H](NC(=O)c2nc[nH]n2)C12CCC2 1203499537 IBKMVHOYDNUJJN-MNOVXSKESA-N 316.365 -0.815 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)Cc2cnn(C)c2)[C@H](C)C1 1206478617 CQTQDVIMEUFZNF-TZMCWYRMSA-N 317.393 -0.852 30 20 DBED C[C@@H](C(=O)N1CCC[C@@H](NCC(=O)NCC#N)C1)n1cccn1 1207420989 SBFFFLYAZXMTGZ-QWHCGFSZSA-N 318.381 -0.336 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)c2nnn(C)c2C)C1 1207731125 GKZFTECBJBFYGT-GFCCVEGCSA-N 320.397 -0.380 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@@H](NCC(=O)NC(C)C)C1 1207870168 RMRQXLWXLXGMGV-CYBMUJFWSA-N 322.409 -0.769 30 20 DBED C=CCCCN[C@H]1CCCN(C(=O)Cn2cnc(C(N)=O)n2)C1 1208074414 YMKNMCVKSSCUGC-LBPRGKRZSA-N 320.397 -0.076 30 20 DBED COCC(C)(C)C(=O)N1CCC[C@H](NCC(=O)NCC#N)C1 1208566538 KIQJUXRPODRZAL-LBPRGKRZSA-N 310.398 -0.121 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)Cc2[nH]cnc2C)C1 1210847250 NCXPTMJMSSXRMO-ZDUSSCGKSA-N 317.393 -0.409 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C[C@H](O)COC)C[C@H]1OC 1212031984 DNUZUNLYMDTAAU-YNEHKIRRSA-N 302.371 -0.988 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2ccn(C)n2)C[C@H]1OC 1212257845 JNTGGCGTLRLKPU-BPLDGKMQSA-N 320.393 -0.226 30 20 DBED Cc1cnn(CC(=O)N2C[C@@H](NCC(=O)NCC#N)[C@H](C)C2)c1 1214237827 IOBMMYGMJIJHSU-CHWSQXEVSA-N 318.381 -0.732 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)Cc2ccnn2C)C[C@H]1C 1214518640 VVPKPMHTSFSIDH-TZMCWYRMSA-N 319.409 -0.299 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)c2ccc(C(N)=O)[nH]2)C[C@H]1C 1215568065 KVQQIWGDVTUDEH-BXUZGUMPSA-N 318.377 -0.187 30 20 DBED C=CCOCC(=O)N1CCO[C@@H]2CN(Cc3nc(C)no3)C[C@@H]21 1217533650 ZMYIDQNDXDWVCT-QWHCGFSZSA-N 322.365 -0.008 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1C[C@@H]1C 1218439617 PYRSDEXQOPNHKE-XDQVBPFNSA-N 307.394 -0.144 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)c2cnc(C)[nH]2)C1 1219365865 JWIVKPQLEGORIO-WQAKAFBOSA-N 321.381 -0.816 30 20 DBED C#CCCCCC(=O)N[C@@H]1CN(CC(=O)N(C)C2CC2)C[C@@H]1O 1219482284 UFSQLUBYLSHIOV-CABCVRRESA-N 321.421 -0.038 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)CNC(=O)CCC(C)C)C1 1220560043 OERXJNFZAFVDIW-KGLIPLIRSA-N 309.410 -0.277 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H](C)CC(C)C)C1 1220628534 DNPYABMEKKNUFI-MJBXVCDLSA-N 309.410 -0.421 30 20 DBED C#CCN1CCC(C(=O)N[C@@H]2CN(CCOCC)C[C@@H]2O)CC1 1221079015 DCBVSGJDWDCFHC-CVEARBPZSA-N 323.437 -0.471 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)[C@@H](C)COC)[C@@H]2C1 1221439547 ATJXWLOZKGOIKS-BFHYXJOUSA-N 307.394 -0.449 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@@H]2CN(C(=O)c3cnon3)[C@@H]2C1 1221883151 RSZKYTOUHQFHMG-DMDPSCGWSA-N 317.349 -0.646 30 20 DBED CC(C)N(C)CC(=O)N1C[C@H]2CCN(CC(=O)NCC#N)C[C@H]21 1222049888 MIHIAARCVDFFOW-ZIAGYGMSSA-N 321.425 -0.501 30 20 DBED COCC#CCN1CC[C@H]1CN(C)C(=O)c1nnn(C)c1C 1231349955 OKDPZUPTQZBBII-ZDUSSCGKSA-N 305.382 -0.080 30 20 DBED N#CCn1cc(NC(=O)C(=O)N2CC[C@@](O)(C3CC3)C2)cn1 1320957872 CGGSKBXUXDBFAW-AWEZNQCLSA-N 303.322 -0.281 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCCn1cncn1 1323174905 OUZSIQUJQBLCTM-NEPJUHHUSA-N 307.354 -0.508 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N[C@H](C)CCN(C)C)nn1 1325963985 MVPSVQIMEHWMGG-LLVKDONJSA-N 308.386 -0.463 30 20 DBED CN(CC(C)(C)C#N)C(=O)C(=O)N1[C@H]2CC[C@H]1CC(=O)NC2 1329329948 GIGCQLOLVCWHIE-QWRGUYRKSA-N 306.366 -0.126 30 20 DBED C[C@@H]1CN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)[C@H](C)CN1 1329454856 RGQVLMXRSORJOV-BZPMIXESSA-N 319.409 -0.606 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@@H]1CCCN(C)C1=O)[C@H]1CCCO1 1330398366 YHVIOMYPVYQIRK-QJPTWQEYSA-N 307.350 -0.980 30 20 DBED C=CCOCCNC(=O)C(=O)N1CC[C@@H](NC(=O)NC2CC2)C1 1330761954 SLXNVKVKJXLWSY-GFCCVEGCSA-N 324.381 -0.632 30 20 DBED C=CCN(CCOC)c1nnnn1CCS(=O)(=O)N(C)C 1334607845 RQCACQDGSUIORW-UHFFFAOYSA-N 318.403 -0.797 30 20 DBED CN(C[C@H]1CCC[C@H]1O)C(=O)Cn1cc(C#N)c(O)nc1=O 1362299468 KDKGWWWEUNMOPF-MWLCHTKSSA-N 306.322 -0.560 30 20 DBED CN(C[C@@H](O)CNC(=O)c1cc(C#N)c[nH]1)C(=O)c1cocn1 1370984339 MCCXDQSRJRGSHW-JTQLQIEISA-N 317.305 -0.263 30 20 DBED C[C@H](C#N)C(=O)N1CCN(CCNC(=O)c2cnccn2)CC1 1372202069 GYHZYUMTFWJRIZ-GFCCVEGCSA-N 316.365 -0.490 30 20 DBED CC[C@@H](CNC(=O)CNS(=O)(=O)CC)NC(=O)[C@@H](C)C#N 1375113301 FKLBJOPZIPPQAZ-UWVGGRQHSA-N 318.399 -0.904 30 20 DBED C=C(Cl)CN1CC(O)(CNC(=O)c2cnc3[nH]nnc3c2)C1 1376185215 IJJSSNYCQMIPDO-UHFFFAOYSA-N 322.756 -0.118 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H](C)CNC(=O)CCn1ncn(C)c1=O 1380833469 VGWYCYAHSKXAMT-WDEREUQCSA-N 322.369 -0.905 30 20 DBED C[C@H](C#N)C(=O)N(CCNC(=O)[C@@H]1CN(C)CCO1)C1CC1 1408905970 CEPXWQYYOFKAHD-YPMHNXCESA-N 308.382 -0.416 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)C[C@H]2CCC(=O)NC2)CC1 1410804306 KSNWYTUJCGPRTH-GHMZBOCLSA-N 306.366 -0.173 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(CCNC(=O)Cc2cnc[nH]2)CC1 1414763289 XDFPZWMNWLBTJJ-LBPRGKRZSA-N 318.381 -0.628 30 20 DBED CCN(CCNC(=O)c1cc(=O)n(C)cn1)C(=O)[C@@H](C)C#N 1415683477 DGWZERBPSFNKRQ-JTQLQIEISA-N 305.338 -0.482 30 20 DBED C=C(Cl)CN1CC[C@H]1CN(C)C(=O)CN1CCNC(=O)C1 1417737948 CWFCJSMIZMEOTO-LBPRGKRZSA-N 314.817 -0.297 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNCC(=O)Nc1nccs1 1422265628 NKKDROWNZHXWAL-RKDXNWHRSA-N 311.367 -0.692 30 20 DBED CCC(=O)NCC(=O)N[C@H](C)CN(C)C(=O)c1cc(C#N)c[nH]1 1443759587 GFQOREWYDYIYPL-SNVBAGLBSA-N 319.365 -0.011 30 20 DBED C[C@H](CNC(=O)c1cnn(C)n1)N(C)C(=O)c1ccc(C#N)[nH]1 1450024541 UYTBGCOIKQZAGY-SECBINFHSA-N 315.337 -0.095 30 20 DBED C[C@@H](CNC(=O)c1cc2n(n1)CCO2)CNC(=O)[C@H](C)C#N 1451614680 XVXWEZZMWBBCBL-NXEZZACHSA-N 305.338 -0.083 30 20 DBED Cc1ccn(C)c1C(=O)N[C@H]1CCN(CC(=O)NCC#N)C1 1481687655 QDTMGORFHYOVNO-LBPRGKRZSA-N 303.366 -0.223 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1cc(C2CC2)nn1C 1501547103 UHPTXOOABRCICX-GXSJLCMTSA-N 319.365 -0.336 30 20 DBED CO[C@]1(CO)CCCN(c2cnc(C#N)c(-c3nn[nH]n3)n2)C1 1570918426 PSDLDWOBAPTMAG-CYBMUJFWSA-N 316.325 -0.494 30 20 DBED C#CCN1CCN(c2nnc(C3CC3)n2CC2(N)COC2)CC1 1574706472 CWYOUZLGVLHGDW-UHFFFAOYSA-N 316.409 -0.362 30 20 DBED CNC[C@H](O)[C@H](C)C(=O)N1CCN(c2ccc(C#N)nc2)CC1 1578641710 XCWXRNJVVMVNNT-WFASDCNBSA-N 317.393 -0.182 30 20 DBED C#CCN(CC(=O)O)C(=O)C(=O)Nc1cc(C)cc(C(N)=O)c1 1588394378 BZCCKZVUFKMWMX-UHFFFAOYSA-N 317.301 -0.421 30 20 DBED C=CC[C@H]1NC(=O)N([C@H]2CCCCN(CC(=O)O)C2=O)C1=O 1588457168 NSZQUIPMBYGSIB-ZJUUUORDSA-N 309.322 -0.051 30 20 DBED C=C[C@@H](O)C(=O)N(C)C[C@@H](O)c1cccc(-c2nn[nH]n2)c1 1588525330 GCEAUHONPLALOE-VXGBXAGGSA-N 303.322 -0.095 30 20 DBED CC(C)C#CC(=O)N1C[C@H]2[C@H](NC(=O)[C@H]3C[C@H]3C(=O)O)[C@H]2C1 1590927187 VCVAPSADIDINOG-SVPLCASGSA-N 304.346 -0.061 30 20 DBED CO[C@H](Cn1c(N)nc(C#N)c1-c1nn[nH]n1)[C@@H]1CCOC1 1591334869 XAOACWITXNAQPS-VXNVDRBHSA-N 304.314 -0.431 30 20 DBED C#CCN1C[C@H]2C(CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)[C@@H]2C1 1602718646 ZBRXNWMVVUIXNO-RYUDHWBXSA-N 311.349 -0.264 30 20 DBED C=C[C@@H]1OCC[C@H]1NC(=O)NCCOCCOCC(=O)O 1602730917 KQXJWZUHSXIJPC-MNOVXSKESA-N 302.327 -0.253 30 20 DBED CC(C)[C@@H](C#N)N1CCN([C@H]2CCN(CC(=O)O)C2=O)CC1 1602961202 QZXFJGALRZXGAR-QWHCGFSZSA-N 308.382 -0.162 30 20 DBED N#CCNC(=O)CNC(=O)C(=O)Nc1ccc(C(=O)O)c(F)c1 1608188457 WEDBVLGQIBOEHX-UHFFFAOYSA-N 322.252 -0.782 30 20 DBED N#C[C@@H]1CN(C(=O)c2cc(N3CCNC(=O)C3)ccn2)CCO1 1649767325 TVLVGSKADMZJCO-GFCCVEGCSA-N 315.333 -0.618 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)CCc2ccn(C)n2)C1 1665549651 JXWHRBJSYOGLLN-CQSZACIVSA-N 319.409 -0.155 30 20 DBED C=CCNC(=O)CN1CCC[C@H](NC(=O)Cc2nnc(C)o2)C1 1713795819 GNNWBNXFULJHOY-LBPRGKRZSA-N 321.381 -0.197 30 20 DBED C#CCNC(=O)CN(CC)CCCNC(=O)c1ncccn1 1752218422 BSDBTHDBZGZKLJ-UHFFFAOYSA-N 303.366 -0.332 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC[C@H]1CNC(=O)c1cn(C)nn1 1753104739 IMLNPMYVAYKLQF-NEPJUHHUSA-N 318.381 -0.853 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CCN(CCN2C(=O)CNC2=O)C1 1753432788 VYTCYSOSQQFMQW-QWRGUYRKSA-N 307.354 -0.769 30 20 DBED C#CCCNC[C@](C)(NC(=O)CC[C@H]1NC(=O)NC1=O)C1CC1 1753527667 ONFZCWROACNBMI-WBMJQRKESA-N 320.393 -0.128 30 20 DBED Cc1cnccc1CC(=O)NC[C@@H](C)CNCC(=O)NCC#N 1753614989 XPWHEPAGMZBVMM-LBPRGKRZSA-N 317.393 -0.086 30 20 DBED C=CCNC(=O)CNC[C@@H](C)N(C)C(=O)c1ccc(=O)n(C)n1 1753725183 ZZTFWUBGULIBLE-LLVKDONJSA-N 321.381 -0.867 30 20 DBED C=CCN1CC[C@@H](NC[C@@H](O)CNC(=O)Cc2ccco2)C1=O 1753930500 ITLJQWPPUVQHTE-TZMCWYRMSA-N 321.377 -0.324 30 20 DBED C=CCN1CC[C@H](NC[C@H](C)NC(=O)c2cnnn2CC)C1=O 1754266156 JMJUNLDVQLPOIM-RYUDHWBXSA-N 320.397 -0.207 30 20 DBED CNC(=O)NC(=O)[C@@H](C)N1CC[C@@H]1CNC(=O)C#CC1CC1 1754483006 DTMOTSMSDNUGSG-ZYHUDNBSSA-N 306.366 -0.566 30 20 DBED C=CCN1CC[C@@H](N2CC[C@](O)(CNC(=O)C3CC3)C2)C1=O 1754745128 UNVPAAVFKIFZIX-CJNGLKHVSA-N 307.394 -0.264 30 20 DBED COCC#CCN1CCC(CO)(NC(=O)c2cnn(C)n2)CC1 1755181212 NPZZPFXYONQMMF-UHFFFAOYSA-N 321.381 -0.978 30 20 DBED CC(C)S(=O)(=O)CC(=O)N1CCO[C@H]([C@@H](C)NCC#N)C1 1755448282 QNGQVCYNDGQWRC-NEPJUHHUSA-N 317.411 -0.461 30 20 DBED C#CCNCCC[C@@H](C)NC(=O)C[C@@]1(C)CCS(=O)(=O)N1 1755522418 NKZNGUXECVCOPQ-TZMCWYRMSA-N 315.439 -0.034 30 20 DBED CNS(=O)(=O)CCC(=O)N[C@@]12CCC[C@H]1N(CC#N)CC2 1755703134 VAZSDESMTOZNHV-DGCLKSJQSA-N 314.411 -0.438 30 20 DBED COCC#CCN1CCC[C@H](NC(=O)CNC(=O)OC)[C@H]1C 1755713972 GGFWSHAIULIGDK-OLZOCXBDSA-N 311.382 -0.039 30 20 DBED C=C[C@](C)(O)CC(=O)N1C[C@H]2[C@H](CNC(=O)CNC(C)=O)[C@H]2C1 1756188853 VSCBBEOTMMNFEZ-JFILPPLUSA-N 323.393 -0.730 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H](C)CN(C)C(=O)C1=COCCO1 1756427504 LKMLZKWXKVLGSD-RYUDHWBXSA-N 310.350 -0.124 30 20 DBED C#CCOCCC(=O)N[C@H](C)CN(C)C(=O)[C@H](C)NC(N)=O 1756447410 ZPMMOJFMYJMNBD-MNOVXSKESA-N 312.370 -0.954 30 20 DBED C#Cc1cncc(C(=O)NC[C@@H](CO)NC(=O)[C@H]2CCCO2)c1 1756548202 JSECEXJYCOBAGN-UONOGXRCSA-N 317.345 -0.551 30 20 DBED O=C1CN=C(NN=Cc2cn(C3CCOCC3)nc2C(=O)O)N1 1776097543 MUCIATVHSDNESO-UHFFFAOYSA-N 320.309 -0.658 30 20 DBED C=CCO[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C(O)O)C2 1793579530 DMFVGIQIZSJETI-YFKTTZPYSA-N 312.366 -0.474 30 20 DBED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCC(C)=O)CCO2 1834872620 JWXZCWPRKVTXQZ-MRXNPFEDSA-N 322.361 -0.555 30 20 DBED C=CC[C@@H](C)C(=O)N1CCCC12CN(C(=O)CNC(=N)N)C2 1845978469 ASTDODMWEMPAMV-LLVKDONJSA-N 307.398 -0.115 30 20 DBED CC(C)[C@](C)(C#N)NC(=O)CN(C)CC(=O)N1CCOCC1 60941679 AMTDUPWUKWBMGP-HNNXBMFYSA-N 310.398 -0.169 30 20 DBED CN(CC#N)CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 120756503 LDEWOCPUESYJJF-UHFFFAOYSA-N 310.379 -0.552 30 20 DBED CCN(CCC#N)C(=O)CN1CCc2nn(C)c(=O)cc2C1 172798681 ANUPCFBUYZTLEY-UHFFFAOYSA-N 303.366 -0.099 30 20 DBED N#Cc1ccc(S(=O)(=O)NCCOCC(N)=O)cc1Cl 230202381 UJKQEBGITYSVGS-UHFFFAOYSA-N 317.754 -0.008 30 20 DBED C/N=C(/NCC1(O)CCC1)N[C@@H]1CCc2nc(COC)nn2C1 261948361 GPRDFVSRJBYZIW-LLVKDONJSA-N 322.413 -0.181 30 20 DBED C/N=C(/NCC(=O)N(C)C)N1CCN(Cc2cc(C)on2)CC1 262520087 DPFUZWLQOZLEEU-UHFFFAOYSA-N 322.413 -0.236 30 20 DBED Cn1c(N2CC(=O)N[C@H]3CCCC[C@@H]32)c(C#N)c(=O)n(C)c1=O 268236768 VZLJPHXWTDNWPO-QWRGUYRKSA-N 317.349 -0.797 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@@H](C(=O)OC)C[C@H]1C(=O)OC 295805581 SWSVHLNCHIDVSK-UTUOFQBUSA-N 311.334 -0.022 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(CC)C[C@H]2CCCO2)C1=O 299521033 OQPBNWSDXPOJSX-LLVKDONJSA-N 323.349 -0.009 30 20 DBED CS(=O)(=O)N1CCC[C@@H]1C/N=C(/O)N1CCC[C@@H]1CO 328764253 ZXHQQDMXBBHEHP-GHMZBOCLSA-N 305.400 -0.219 30 20 DBED CN1CCN(C)[C@@H](C/N=C(/O)N2C[C@H]3[C@@H](C2)OCCN3C)C1 329741649 WCBGJDFYSASACA-MELADBBJSA-N 311.430 -0.839 30 20 DBED CN1CCN(C(=O)CC/N=C(/O)N2CCn3ncnc3C2)CC1 329916159 DMQDXVUBZMNBDF-UHFFFAOYSA-N 321.385 -0.828 30 20 DBED COCCN1CCC[C@H]1C/N=C(/O)N1C[C@@H](O)C[C@H]1CO 330090884 XFQIBTKBXBXLDS-AVGNSLFASA-N 301.387 -0.561 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1CCSC[C@@H]1CO 330376206 OTBNVOIOEIAAFA-NSHDSACASA-N 323.440 -0.497 30 20 DBED CC(C)[C@](C)(C#N)NC(=O)CN1CCC[C@@H](S(N)(=O)=O)C1 330647446 JJOBUKNFDJOCBE-YPMHNXCESA-N 316.427 -0.206 30 20 DBED CC[C@@H](COC)/N=C(/O)N1CCC(NS(=O)(=O)NC)CC1 331229736 GOKNKOIEDBJUAN-JTQLQIEISA-N 322.431 -0.156 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@H](C(=O)OC)C(C)C 336890046 IUMQXHMUUZFIOX-NSHDSACASA-N 321.399 -0.120 30 20 DBED C=CCNC(=O)CNC(=O)c1ccc2c(c1)NC(=O)CNC2=O 345651955 ADNDCDUHKPBYDF-UHFFFAOYSA-N 316.317 -0.600 30 20 DBED C=CCNC(=O)CNC(=O)c1c(C)oc2ncn(C)c(=O)c12 347893040 MSZHGVFSIXXYPJ-UHFFFAOYSA-N 304.306 -0.133 30 20 DBED N#CCNC(=O)CNC(=O)N1CCCN(CC(F)F)CC1 377082374 WFXGDZJKXQFEAQ-UHFFFAOYSA-N 303.313 -0.391 30 20 DBED C#CCNC(=O)CN1CCN([C@H](C)C(=O)NCCCC)CC1 491125877 ICZKIDMVLXIRED-CQSZACIVSA-N 308.426 -0.342 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CCN2C(=O)OC[C@H]2C1 495643871 FQFLKLZLPGRAJF-SNVBAGLBSA-N 302.356 -0.397 30 20 DBED Cc1onc(N)c1S(=O)(=O)NCC1CCN(CC#N)CC1 561997319 UDWYGOFCWUAPSL-UHFFFAOYSA-N 313.383 0.079 30 20 DBED N#Cc1ccc(S(=O)(=O)CCNCCn2cncn2)nc1 564848411 MEGISIHXRIWLEL-UHFFFAOYSA-N 306.351 -0.392 30 20 DBED C=CCn1cc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)nn1 564857182 JPZNBLRUDMURRK-LBPRGKRZSA-N 307.314 -0.281 30 20 DBED CCN(CCC#N)S(=O)(=O)NCCN1CCC(O)CC1 565234537 GSVRSUZXMJBVBZ-UHFFFAOYSA-N 304.416 -0.487 30 20 DBED CC(C)OCCOC[C@@H](O)CN(C)S(=O)(=O)CCC#N 565842552 GPGRJWDCWRWQGN-LBPRGKRZSA-N 308.400 -0.036 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N2CCOC[C@@H]2C2CCC2)CCO1 572398856 GGPOURCQDNEJQE-CHWSQXEVSA-N 315.395 -0.044 30 20 DBED COC(=O)c1cc(S(=O)(=O)N2CC[C@@](O)(CC#N)C2)c[nH]1 592077007 AKUUWIWXLKMNMV-LBPRGKRZSA-N 313.335 -0.160 30 20 DBED Cc1cc(C(=O)NCC(=O)N[C@H](C#N)CO)ccc1[N+](=O)[O-] 597745231 HLBAXBFDLCMSAE-SNVBAGLBSA-N 306.278 -0.366 30 20 DBED N#CCCN1CCN(C(=O)C(=O)NCCc2ccccn2)CC1 602223590 SVILXQVPAIUGBA-UHFFFAOYSA-N 315.377 -0.202 30 20 DBED C=CCN(CC=C)C(=O)Cn1cc(CNS(C)(=O)=O)nn1 640791609 BDBABYQCHNMNNE-UHFFFAOYSA-N 313.383 -0.472 30 20 DBED COC(=O)CC[C@]1(C)NC(=O)N(CN2CCO[C@@H](C#N)C2)C1=O 811742984 MCUDOZHCPFCXFS-HZMBPMFUSA-N 324.337 -0.568 30 20 DBED Cc1oc(C(=O)N[C@@H]2CCCN(O)C2=O)cc1S(N)(=O)=O 820481934 BIQVYNZREHHLPQ-SSDOTTSWSA-N 317.323 -0.655 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)N1CCCN(CC(N)=O)CC1 826075346 TUZFEEMQIQFLQM-ZDUSSCGKSA-N 310.398 -0.523 30 20 DBED CCOC(=O)COCCNC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 836576647 ZCXDOGODHOVMLZ-ZDUSSCGKSA-N 324.381 -0.052 30 20 DBED C#C[C@H](NC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C)[C@@H]1CCCO1 842163523 MTNQVKUKLVAKRL-CYDGBPFRSA-N 323.393 -0.487 30 20 DBED C#CCN(CC(=O)O)S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 849219111 HVCYPCUKDYPMLT-UHFFFAOYSA-N 322.342 -0.319 30 20 DBED CN(CCOCCN)C(=O)NCCNc1ncccc1C#N 861565231 RRNASXDKNCAUDT-UHFFFAOYSA-N 306.370 -0.018 30 20 DBED C#CC[C@H](CCOC)NC(=O)[C@@H]1CCCN1C(=O)CNC(C)=O 876072914 CLPARYGXTYVACL-KGLIPLIRSA-N 323.393 -0.342 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N1C[C@H]2CC[C@H]1[C@@H](O)C2 898141373 ZYXZGQAOCGLIFG-CRWXNKLISA-N 308.378 -0.097 30 20 DBED C#CCN1CCC[C@@H](NC(=O)[C@H](CCSC)NC(N)=O)C1 923549962 SXZHNIFODVMZRU-NEPJUHHUSA-N 312.439 -0.010 30 20 DBED CN(C(=O)[C@@H]1COCCO1)[C@@H]1CCN(C(=O)C#CC2CC2)C1 937347436 LTMVWVHWIOTETE-KGLIPLIRSA-N 306.362 -0.126 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2[C@H]3C[C@H]2N(C(=O)Cn2cnnn2)C3)C1 947991420 DFRKMPYGENZVTB-DMDPSCGWSA-N 316.365 -0.255 30 20 DBED N#Cc1ccc(C(=O)NC[C@@H]2CCN2C(=O)[C@H]2COCCO2)[nH]1 949444528 MWEXCMKGCRPUML-WCQYABFASA-N 318.333 -0.368 30 20 DBED C#CCN1CCOC2(CCN(C(=O)[C@]3(C)CCNC3=O)CC2)C1 949471108 QLLJUHPQSOFQAF-MRXNPFEDSA-N 319.405 -0.161 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1cn(C)nn1 952172594 CKGUCWZOXNCPEU-LOWVWBTDSA-N 319.365 -0.263 30 20 DBED C#Cc1ccc(C(=O)N(C)C2CN(C(=O)Cn3ncnn3)C2)cc1 954942597 FGQIUHNPOKHTNG-UHFFFAOYSA-N 324.344 -0.363 30 20 DBED CN1CCOC[C@@H]1C(=O)N[C@]1(C)CCN(C(=O)C#CC2CC2)C1 956838464 FFJYFAXYOURWPV-RHSMWYFYSA-N 319.405 -0.162 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](CNC(=O)c2nnc(O)nc2O)C1 958224069 SJJCKYTUONTFOZ-ZJUUUORDSA-N 323.353 -0.729 30 20 DBED C=CCN1C[C@@H](O)[C@H](CNC(=O)C2CCS(=O)(=O)CC2)C1 958445249 VZHSSBLEQRUAEK-CHWSQXEVSA-N 316.423 -0.594 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2c(C)nn(C)c2OC)C1 958447265 ASQLSSQNWVCWSC-NWDGAFQWSA-N 306.366 -0.607 30 20 DBED C=C(C)CN1C[C@@H](O)[C@@H](CNC(=O)c2cn(C)c(=O)nc2O)C1 958668140 WTAWYQSOSPKRPN-CMPLNLGQSA-N 322.365 -0.916 30 20 DBED CC#CCN1C[C@@H](O)[C@H](CNC(=O)c2ccc(C(N)=O)nc2)C1 958748430 MOHQAXLJGXNSAA-TZMCWYRMSA-N 316.361 -0.774 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]21 960879345 BHFJLLCMAXDZTN-KWCYVHTRSA-N 301.346 -0.002 30 20 DBED C#Cc1ccc(C(=O)NC2[C@@H]3CN([C@@H](CC)C(N)=O)C[C@@H]23)cn1 962327697 VJZOWQSSDPKLKJ-MCIONIFRSA-N 312.373 -0.013 30 20 DBED C=C1CC(C)(C(=O)N2C[C@H](O)[C@H](NC(=O)c3ncn(C)n3)C2)C1 962716577 JBWPMZRIGZIKKH-MNOVXSKESA-N 319.365 -0.527 30 20 DBED C[C@H](C#N)C(=O)N1CCOC2(CN(C(=O)c3ccnn3C)C2)C1 965475088 UTGSUJVRWGZIIV-LLVKDONJSA-N 317.349 -0.367 30 20 DBED CC#CCN1CC([C@@H](C)NC(=O)c2nc(O)nc(O)c2OC)C1 970737191 KOUZTALXIKIZNS-SECBINFHSA-N 320.349 -0.030 30 20 DBED C#CCCN1C[C@H]2CC[C@H]1CN2C(=O)c1cn(C)c(=O)nc1O 972107176 WQFMFBPGJAWYLT-NWDGAFQWSA-N 316.361 -0.202 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)Cc3ccnn3C)C2)C1 972363322 XOBDEGIXSIUOPK-INIZCTEOSA-N 302.378 -0.101 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)CN3CCCNC3=O)C2)C1 972450416 UVGWAAIUILZSCX-MRXNPFEDSA-N 320.393 -0.662 30 20 DBED CC1(C)CN(CC#N)C[C@H]1NC(=O)Cn1ccc(O)nc1=O 974785753 VTGQKHAKPDFHTK-SNVBAGLBSA-N 305.338 -0.701 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)[C@H](C)n3cncn3)[C@H]2C1 976381569 XWANZABYEFRYOI-KKJSVHSVSA-N 302.338 -0.428 30 20 DBED CC#CCN1C[C@@H]2C(CNC(=O)c3nccnc3C(N)=O)[C@H]2C1 979054276 HLQNGRRXKKMVJS-VXGBXAGGSA-N 313.361 -0.494 30 20 DBED N#Cc1cc(C(=O)NC2CCC(NC(=O)C(N)=O)CC2)c[nH]1 980132971 VKVFMBGHKXOYKV-UHFFFAOYSA-N 303.322 -0.471 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](CNC(=O)c2cnc(O)n2C)C1 983219771 DSZDXIJWZOETNW-UWVGGRQHSA-N 305.338 -0.136 30 20 DBED N#Cc1cc(C(=O)N2CC(NC(=O)[C@H]3CCC(=O)N3)C2)c[nH]1 990486157 LNLSQWMDHIVSCO-LLVKDONJSA-N 301.306 -0.894 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@H](NC(=O)c2cnon2)[C@H](O)C1 991703921 JUYOGJYIAHBGDX-GXSJLCMTSA-N 308.338 -0.027 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@@H](NC(=O)Cc2nc[nH]n2)[C@@H](O)C1 991807202 USMXHGUPDCPINO-MNOVXSKESA-N 321.381 -0.363 30 20 DBED NC(=O)C(=O)N1CCC(OC2CN(C(=O)C#CC3CC3)C2)CC1 994816694 JKOSMYKDKXLOQV-UHFFFAOYSA-N 319.361 -0.897 30 20 DBED CC(=O)N1CCN(C(=O)C#CC2CC2)[C@@H]2CS(=O)(=O)C[C@@H]21 995445498 MJVDUJBJWUTCEF-QWHCGFSZSA-N 310.375 -0.744 30 20 DBED C#Cc1cncc(C(=O)NC2CN(C(=O)Cn3nccn3)C2)c1 999314519 GUGQFCBQPWCBRG-UHFFFAOYSA-N 310.317 -0.705 30 20 DBED N#CCN[C@H]1CCCN(C(=O)[C@H]2CCc3nnc(O)n3C2)C1 999551894 ASAAGSKNYDWDQD-QWRGUYRKSA-N 304.354 -0.350 30 20 DBED C#CCN1CC[C@H](n2cc(CNC(=O)c3cnsn3)nn2)C1 999956126 OBZREAXHPYMFFD-NSHDSACASA-N 317.378 -0.060 30 20 DBED CC1(C)NC(=O)N(CC(=O)N2CCC[C@@H](NCC#N)C2)C1=O 1000850159 SKQKPVWWDVTIGC-SNVBAGLBSA-N 307.354 -0.579 30 20 DBED C#CCN1CCC(C(=O)N2CCC[C@@H](N[C@@H](C)C(N)=O)C2)CC1 1000991107 GHWOAZDDGJBJAU-DZGCQCFKSA-N 320.437 -0.214 30 20 DBED C[C@H](C#N)C(=O)N1CC(CNC(=O)[C@H]2CCCC(=O)N2C)C1 1003656530 YODNQKGXZFBWSR-ZYHUDNBSSA-N 306.366 -0.268 30 20 DBED CCn1nncc1C(=O)NC[C@H]1[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]12 1009041416 NZXOTEROFPAIDM-KKOKHZNYSA-N 316.365 -0.108 30 20 DBED COCC(=O)N1CCO[C@H]([C@H](C)NC(=O)c2c[nH]c(C#N)c2)C1 1009606309 GHAITBCOHRXFJT-GWCFXTLKSA-N 320.349 -0.122 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C1 1014635726 XIAITBHOWHMECK-LBPRGKRZSA-N 306.366 -0.686 30 20 DBED N#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1Cc2cncn2C(=O)N1 1017758029 KNKAGHRRNBZLAJ-LOWVWBTDSA-N 314.349 -0.436 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCN(C(=O)C[C@@H]3CCNC3=O)C2)C1 1019364733 LAMZGUUPUSNTIC-RYUDHWBXSA-N 318.377 -0.267 30 20 DBED N#Cc1c[nH]c(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ncc[nH]3)C2)c1 1023628351 GPHOGEBWYJMLIU-GHMZBOCLSA-N 314.305 -0.775 30 20 DBED CCCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2O)nn1 1025406232 HKZSYVJHKUXLOH-CKYFFXLPSA-N 320.353 -0.851 30 20 DBED C=CCN1CC[C@H](NC[C@H]2CCN(C(=O)CC(N)=O)C2)C1=O 1026742624 CJYOSSKFFGDDIV-NEPJUHHUSA-N 308.382 -0.913 30 20 DBED Cn1nnnc1CNC[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 1026793469 CPLNOFROVLKGEX-JTQLQIEISA-N 314.353 -0.338 30 20 DBED C#CCN1CCC[C@@H]1CNC(=O)C1CC2(C1)NC(=O)NC2=O 1028196051 BBKBMJAKRHKBGL-LOIXOFCESA-N 304.350 -0.812 30 20 DBED C#CCN1[C@H]2CC[C@H]1CN(C(=O)CCc1nnc(O)nc1O)C2 1029377039 AHPHJYQVTFCYIE-QWRGUYRKSA-N 317.349 -0.476 30 20 DBED CN(C[C@H]1CCN(C(=O)C#CC2CC2)C1)[C@@H]1CCC(=O)NC1=O 1029735664 ROYXZWQTPLLSSA-ZIAGYGMSSA-N 317.389 -0.015 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)c3cnns3)C2)C1=O 1030133600 VMNSJYCEEPNSCX-SNVBAGLBSA-N 307.379 -0.261 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)[C@]3(C)CNC(=O)C3)C2)C1=O 1030729159 PGSKFXURPKZCGE-WBMJQRKESA-N 320.393 -0.900 30 20 DBED C=CCCn1cc(C(=O)NCC2CN([C@H](C)C(=O)NC)C2)nn1 1032041958 HTCQVBNOIMTUOM-LLVKDONJSA-N 320.397 -0.350 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2CCN1C(=O)CCC1=O 1032312663 UHLUNUSPDQEONP-WOPDTQHZSA-N 304.350 -0.420 30 20 DBED C=CCN1CC[C@@H](N2CC[C@@H](N(C)C(=O)c3cnn[nH]3)C2)C1=O 1033222827 SHRSGIRFMCQFGE-DGCLKSJQSA-N 318.381 -0.262 30 20 DBED C#CCN1CC[C@@H](N(C)C(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 1033315074 JBVLTKLINDMIDL-LLVKDONJSA-N 314.353 -0.527 30 20 DBED C=CCCn1cc(C(=O)N(CC)[C@H]2CCN(CC(N)=O)C2)nn1 1033980678 XHQLPUMTWMIXQP-LBPRGKRZSA-N 320.397 -0.124 30 20 DBED N#Cc1ccc(C(=O)NC[C@@H]2CN(Cc3cnon3)CCO2)[nH]1 1035331640 NFWREWKMKMSSFR-GFCCVEGCSA-N 316.321 -0.100 30 20 DBED CC[C@H](C(N)=O)N1CCO[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 1035338726 QXMUDLSDFZKEHS-CHWSQXEVSA-N 319.365 -0.419 30 20 DBED C=CCN1CC[C@H]2CN(C(=O)c3cn(CC(N)=O)nn3)CC[C@@H]21 1036904375 RCKBBSTZVGVNRJ-AAEUAGOBSA-N 318.381 -0.514 30 20 DBED COc1ncnc(OC)c1C(=O)N[C@@H]1[C@H]2C[C@H]1N(CC#N)C2 1037748766 NUZCVPUMNBPSPX-IQJOONFLSA-N 303.322 -0.180 30 20 DBED C#CCN[C@@H]1CCN(C(=O)Cn2c(O)nnc2O)C[C@H]1CC 1037970881 VMPDGGDXZVKYQV-GHMZBOCLSA-N 307.354 -0.461 30 20 DBED CC(C)C#CC(=O)N1CC[C@@](O)(CNC(=O)C(C)(C)C(N)=O)C1 1040121200 YPVRQKFCWQKUFQ-MRXNPFEDSA-N 323.393 -0.763 30 20 DBED C[C@H]1[C@@H](N=c2cc[nH]c(C#N)n2)CCN1C(=O)[C@@H]1CCNC1=O 1040213660 TTWJPGMTORVMAG-AXFHLTTASA-N 314.349 -0.692 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@@](O)(CNC(=O)c2cnn(C)n2)C1 1040305909 MRGVLTFXWRUZHA-OAHLLOKOSA-N 321.381 -0.280 30 20 DBED COC[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2c[nH]c(C#N)c2)C1 1042669107 GAYZMBXHNHJYOZ-SNVBAGLBSA-N 320.349 -0.528 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)CN2CCC[C@H]2C)C1 1042801361 KWIFVBBZJAOAAF-CQSZACIVSA-N 321.421 -0.036 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)C2=COCCO2)C1 1042936742 OSVSKTOMDUGGTO-UHFFFAOYSA-N 308.334 -0.777 30 20 DBED C=C(C)CCC(=O)NCC1(O)CN(C(=O)CN2CCCC2=O)C1 1043312344 RJTMWJOERIJWKL-UHFFFAOYSA-N 323.393 -0.345 30 20 DBED C#CCC1(C(=O)NCC2(O)CN(C(=O)COCC)C2)CCC1 1043347250 FCUZEXUYGRJMOX-UHFFFAOYSA-N 308.378 -0.094 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCCNC2=O)C1 1043478769 PVCSKVSNJCETGG-GFCCVEGCSA-N 321.377 -0.994 30 20 DBED CN1CC[C@@H](C(=O)N[C@@H]2CN(c3ccc(C#N)nc3)C[C@@H]2O)C1 1043965521 FFJRNUSFZXEAAQ-DFBGVHRSSA-N 315.377 -0.429 30 20 DBED C=CCn1cc(C(=O)N(C)C2CN([C@H]3CCCNC3=O)C2)nn1 1044021145 PPSXTZZSZSTESC-ZDUSSCGKSA-N 318.381 -0.501 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)c2cnn3cc[nH]c23)C1 1044311410 OMDJBXBWVGFXOI-SECBINFHSA-N 316.321 -0.875 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)COCCOC)C1 1044484544 NTDNCTAJLHJCBP-UHFFFAOYSA-N 314.382 -0.449 30 20 DBED C[C@@H]1C[C@@H](NCC#N)CCN1C(=O)CN1CC(=O)N(C)C1=O 1044816017 IPKPNKYSPOWQGA-MNOVXSKESA-N 307.354 -0.627 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)c2csc(O)n2)C1 1045050960 OMFNWYMWEHSRPE-SSDOTTSWSA-N 310.335 -0.689 30 20 DBED C=CCN1CC[C@@H](N2CCN(C(=O)Cn3cncn3)CC2)C1 1046083740 YRZINNHIQDRPDV-CQSZACIVSA-N 304.398 -0.317 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CN(C)C[C@H]2C)C1 1046686126 ZSPLFUYTAGBWDB-CHWSQXEVSA-N 309.410 -0.160 30 20 DBED C=C(C)CCN1C[C@H](O)[C@@H](N(C)C(=O)CN2CCOCC2)C1 1047349357 CTWYCKDJBJXEMD-GJZGRUSLSA-N 311.426 -0.212 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCCN2C(=O)CC)C1 1047392296 ALOOMJMLXHJEGB-KKUMJFAQSA-N 321.421 -0.086 30 20 DBED CC(C)N1C[C@H](C(=O)N(C)[C@H]2CN(CC#N)C[C@@H]2O)CC1=O 1047399819 OYDKBHSLWUYFFM-AGIUHOORSA-N 308.382 -0.730 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)c2ccns2)C[C@@H]1O 1049402040 NTTPJELXDXHITM-GUBZILKMSA-N 308.363 -0.054 30 20 DBED C[C@@H](NC(=O)CC(N)=O)[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 1050404023 MWGHVVKQAUAJHU-MWLCHTKSSA-N 317.349 -0.271 30 20 DBED C#CCCN1CCOC[C@@H]1CNC(=O)[C@H]1CC(=O)N(CC)C1 1050945003 HQTLOYBYCKUALH-KBPBESRZSA-N 307.394 -0.305 30 20 DBED C=CCN1CCOC[C@@H]1CNC(=O)c1nccnc1C(N)=O 1051237233 NPSHXYZOYARTOD-JTQLQIEISA-N 305.338 -0.808 30 20 DBED N#CCN1CCC(N2[C@H]3CC[C@H]2CN(C(=O)C(N)=O)C3)CC1 1052990448 DHYHAZHUUNVUGZ-STQMWFEESA-N 305.382 -0.865 30 20 DBED C=C(Cl)CN1CC2(C[C@H](NC(=O)Cn3ncnn3)CO2)C1 1053803340 QABIHCBJNNNQGQ-JTQLQIEISA-N 312.761 -0.615 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)[C@H]3CCN(C(C)=O)C3)CO2)C1 1053995526 ZAQZPGZTSWUYJF-GJZGRUSLSA-N 319.405 -0.162 30 20 DBED N#Cc1nccc(N2C[C@H]3[C@H](NC(=O)c4ccc(O)nn4)[C@H]3C2)n1 1056114151 NIVOXNMSWYVUGU-QRJZZWFUSA-N 323.316 -0.292 30 20 DBED N#Cc1nccnc1N1C[C@H]2C(NC(=O)[C@@H]3COC(=O)N3)[C@@H]2C1 1056196077 YUOWJTURXAUXHU-MRTMQBJTSA-N 314.305 -0.993 30 20 DBED CN1C[C@@H](C(=O)N2CC[C@@H](Nc3cncc(C#N)n3)C2)NC1=O 1056745185 RLAUITHGRFWPHM-KOLCDFICSA-N 315.337 -0.615 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)Cc1n[nH]c(C)n1 1057439386 KHYJDPSYBDEIRI-UHFFFAOYSA-N 321.381 -0.604 30 20 DBED C=C[C@@](C)(O)CC(=O)N(CCO)CCNC(=O)c1cnc(C)[nH]1 1057449670 FZDQPHAWIJKWJQ-OAHLLOKOSA-N 324.381 -0.404 30 20 DBED C=C(C)CCC(=O)N(CCO)CCNC(=O)CC(=O)N(C)C 1057806597 KRATUWAOXFBNFS-UHFFFAOYSA-N 313.398 -0.242 30 20 DBED C=C(C)CCC(=O)N(CCO)CCNC(=O)CNC(=O)NC 1057806782 QWHMUCCXISPBLJ-UHFFFAOYSA-N 314.386 -0.791 30 20 DBED C=C[C@H](C)[C@H](C)C(=O)N(CCO)CCNC(=O)Cn1cncn1 1058438408 WGISZXHAJHRHCN-STQMWFEESA-N 323.397 -0.327 30 20 DBED Cc1cc(C#N)nc(N(C)C[C@H]2CCCN(C(=O)C(N)=O)C2)n1 1058701977 DOZKWCHIOVTEEZ-LLVKDONJSA-N 316.365 -0.183 30 20 DBED N#Cc1ccc(N[C@H]2C[C@H](NC(=O)[C@@H]3CCNC(=O)C3)C2)nn1 1059184882 URTVIWPTUHDLGC-YUSALJHKSA-N 314.349 -0.066 30 20 DBED N#Cc1nc(=N[C@H]2C[C@H](NC(=O)Cn3ccccc3=O)C2)cc[nH]1 1059227874 WDDPLJJJVQELPB-HAQNSBGRSA-N 324.344 -0.309 30 20 DBED N#Cc1cncc(N[C@H]2C[C@@H](NC(=O)[C@@H]3CCNC3=O)C2)n1 1059781547 CUXNRHZVUXGZPI-WCABBAIRSA-N 300.322 -0.457 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](CCNC(=O)Cn2nccn2)C1 1060286051 ILVARXLIRAQHRE-NEPJUHHUSA-N 304.354 -0.207 30 20 DBED C#CCCCC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1COCCO1 1061536810 VBALLJZXADULQF-KGLIPLIRSA-N 324.377 -0.451 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@H]1COCCN1C(=O)c1cnco1 1061537902 FZZPENLHUGXWPP-IAQYHMDHSA-N 323.349 -0.041 30 20 DBED CN(C)C(=O)CC(=O)NC[C@@H]1COCCN1C(=O)C#CC1CC1 1061596477 CJAYPZYNNLOGEM-CYBMUJFWSA-N 321.377 -0.778 30 20 DBED N#Cc1cnc(N2[C@H]3CC[C@H]2CN(C(=O)C(N)=O)C3)c(F)c1 1062018897 QSEHRRFTHRETEC-UWVGGRQHSA-N 303.297 -0.243 30 20 DBED N#Cc1cnccc1N1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CNC(=O)N1 1062569777 QSRIVOCFPGMGDB-SRVKXCTJSA-N 312.333 -0.576 30 20 DBED C=CCOCC(=O)NCC1(NC(=O)c2cnn(C)c2N)CCC1 1062702404 PFQINFAOBXYNFP-UHFFFAOYSA-N 321.381 -0.026 30 20 DBED CN(C(=O)c1nnn(C)n1)[C@@H]1CCN(c2nccnc2C#N)C1 1063012118 AWGVDQDXLAMEFT-SECBINFHSA-N 313.325 -0.777 30 20 DBED C#CCCCC(=O)N1CCO[C@H](CNC(=O)C2(C(N)=O)CC2)C1 1065095677 MTMKQDZFCGNXLB-GFCCVEGCSA-N 321.377 -0.601 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@H](CNC(=O)CCn2ccnc2)C1 1065559800 GTGZTQLYIOLRDN-CHWSQXEVSA-N 319.365 -0.224 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)[C@]2(C)CCC(=O)N2)CCO1 1065589042 PPSSRXIMHAZSLD-WBMJQRKESA-N 323.393 -0.035 30 20 DBED N#Cc1cncc(N2C[C@@H](O)[C@H](CNC(=O)c3cn[nH]c3)C2)n1 1067651561 NGQVILKZWQSMBA-ZYHUDNBSSA-N 313.321 -0.702 30 20 DBED N#Cc1nccnc1N1C[C@H](CNC(=O)c2ccc[nH]2)[C@@H](O)C1 1067657065 VXPVXTKBGYJLEM-GWCFXTLKSA-N 312.333 -0.097 30 20 DBED C=CC(C)(C)CC(=O)N1CC2(CC[C@H](CNC(=O)C(N)=O)O2)C1 1068621078 WBUARIRODKWMJL-LLVKDONJSA-N 323.393 -0.050 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CCC2(CN(C(=O)c3nc[nH]n3)C2)O1 1068621217 XDGQRYPAXUPNDE-UWVGGRQHSA-N 318.337 -0.546 30 20 DBED C=CCOCC(=O)N[C@@H]1COC2(C1)CN(C(=O)COCC)C2 1068763698 AEYUPMVNCVFGQQ-LBPRGKRZSA-N 312.366 -0.288 30 20 DBED Cc1cc(C(=O)N[C@@H]2CN(CC#N)C[C@@H]2n2ccnn2)on1 1069893483 BBQBPEAHPQGOPW-MNOVXSKESA-N 301.310 -0.247 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](n2ccnn2)[C@H](N[C@@H](C)C(N)=O)C1 1070250852 WIKBQNQYWXGMHD-TUAOUCFPSA-N 320.397 -0.294 30 20 DBED N#CCN[C@@H]1CN(C(=O)c2n[nH]cc2F)C[C@@H]1n1ccnn1 1070269080 CKAFVWSILYZGDD-ZJUUUORDSA-N 304.289 -0.681 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2[nH]cnc2CC)C[C@@H]1n1ccnn1 1070318667 BVUFFXRLSYUQPI-OLZOCXBDSA-N 313.365 -0.148 30 20 DBED C=CCN[C@@H]1CN(C(=O)[C@@H]2CCNC2=O)C[C@H]1c1cn(C)cn1 1070520748 GLESVGHKXFPTKL-MBNYWOFBSA-N 317.393 -0.374 30 20 DBED C#CCOCCC(=O)N1CCC[C@@H](NC(=O)CC(=O)N(C)C)C1 1070730512 JMGURMVIBQNLPS-CYBMUJFWSA-N 323.393 -0.388 30 20 DBED Cn1nccc1C(=O)N1C[C@@H]2C[C@@H]3CN(CC#N)C[C@]2(C1)O3 1070772977 PRONRAFDSBCCMN-YWPYICTPSA-N 301.350 -0.141 30 20 DBED CC(C)C#CC(=O)N[C@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1C 1072636976 XMWYUOSPLAERKR-NEPJUHHUSA-N 305.378 -0.126 30 20 DBED C=C(C)CN1CCC2(C1)CN(C(=O)CN1C(=O)CNC1=O)C2 1073412102 AJANXYPWVQXNAH-UHFFFAOYSA-N 306.366 -0.351 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)[C@H]2CCN(C)C(=O)C2)C1 1073664308 CWWJKCIJWFQZQG-UONOGXRCSA-N 307.394 -0.305 30 20 DBED Cn1c(C(=O)N2CC[C@H]3OCCN(CC#N)[C@@H]3C2)cccc1=O 1074336556 RLKZZGLGFQVDDW-ZIAGYGMSSA-N 316.361 -0.176 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCC(O)(CNC(=O)[C@@H](C)C#N)CC1 1074566508 NGNVQXQRHLAKKY-WFASDCNBSA-N 323.393 -0.057 30 20 DBED C[C@@H](CCNC(=O)CSCC#N)NC(=O)[C@@H]1CCNC1=O 1075679039 DBNCEVWUEAWFBG-VHSXEESVSA-N 312.395 -0.610 30 20 DBED C#CCOCCC(=O)NCC[C@H](C)NC(=O)[C@@H]1[C@H]2COC[C@H]21 1076507632 OTWBTHYELCADCS-RMRHIDDWSA-N 308.378 -0.070 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2ccc(CNC(C)=O)s2)C1 1077742907 NKRIUYZAQCFDPH-CHWSQXEVSA-N 321.402 -0.208 30 20 DBED CCN(C(=O)C#CC1CC1)C1CN(C(=O)CCNC(=O)NC)C1 1079736964 REUWDPPIMXWYOB-UHFFFAOYSA-N 320.393 -0.222 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cc[nH]n2)C1 1081285912 FLNHHXQEJQXPCJ-YPMHNXCESA-N 304.350 -0.238 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)Cc2ccc[nH]2)C[C@@H]1O 1081347619 YEHSKOKXZQMRJL-JSGCOSHPSA-N 321.377 -0.305 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)c2ncc[nH]2)C[C@@H]1O 1081441400 IDYJMSLBSVLMHA-RYUDHWBXSA-N 304.350 -0.238 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)CC(=O)N(C)C)C[C@H]1O 1081445063 QPAYLQSXGDFSNW-CHWSQXEVSA-N 323.393 -0.796 30 20 DBED C#CCOCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)C#CC(C)C)C1 1081465405 GWBBGNIUBAAXCZ-HUUCEWRRSA-N 320.389 -0.379 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@@H]1O 1081466277 QWXICNBLSKVVSL-RYUDHWBXSA-N 323.393 -0.907 30 20 DBED C#CCOCCC(=O)N1C[C@H](CNC(=O)C#CC2CC2)[C@@H](O)C1 1081470476 AWWPBDADYJHSIM-GJZGRUSLSA-N 318.373 -0.625 30 20 DBED Cc1ncc(C(=O)N2C[C@@H](O)[C@H](CNC(=O)C#CC3CC3)C2)[nH]1 1081472290 XKQLPQWRORCFIA-TZMCWYRMSA-N 316.361 -0.319 30 20 DBED Cc1cnoc1C(=O)N1C[C@@H](O)[C@H](CNC(=O)C#CC2CC2)C1 1081472547 ZHBMLRBDPABRKJ-CHWSQXEVSA-N 317.345 -0.054 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(C(=O)c2ccncn2)C[C@H]1O 1081472555 ZJIOCQRLQFLZTL-GXTWGEPZSA-N 314.345 -0.561 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@@H]2CCCN(C(C)=O)C2)[C@H](OC)C1 1081914683 YTDMGMQPERUQGW-RBSFLKMASA-N 307.394 -0.307 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CCCCN1C(=O)Cn1cnnc1O 1082019430 XYPNTAFXNYQARC-MNOVXSKESA-N 320.353 -0.359 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H]2CN(CCn3cccn3)C[C@@H]21 1083024122 BLZLGUMEFSCBOD-MELADBBJSA-N 303.366 -0.046 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CCN(C)C(=O)C1 1083123733 PVTOSDUPEWSXKM-QLFBSQMISA-N 319.405 -0.210 30 20 DBED C=CCN1CC[C@H](N2C[C@H](O)[C@H](NC(=O)CC3CC3)C2)C1=O 1083307707 SECANZUJXVPKHK-RDBSUJKOSA-N 307.394 -0.265 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)c2cccc3nnn(C)c23)C1 1084130700 CAWMFANMQRDXRC-OLZOCXBDSA-N 301.350 -0.071 30 20 DBED Cc1cccc2c1O[C@@H](C(=O)N[C@@H]1CN(CC#N)C[C@@H]1O)C2 1084133639 MMTWPWUDQQQTKI-HZSPNIEDSA-N 301.346 -0.017 30 20 DBED C#CCCN1CC[C@H]1CN(C)C(=O)[C@@H]1COCCN1C(C)=O 1085978935 GAYQARQLZUXEIT-GJZGRUSLSA-N 307.394 -0.210 30 20 DBED C#CCN[C@H]1C[C@H](CNC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1 1086476981 NZLWOSSIGYPZKL-SYQHCUMBSA-N 307.394 -0.260 30 20 DBED C=CCCn1cc(C(=O)N[C@H]2CCN(CCOC)C[C@H]2O)nn1 1090638111 OCGUSVAKIZFHBN-GXTWGEPZSA-N 323.397 -0.334 30 20 DBED N#CCN1CC[C@H](NC(=O)c2cc3c(nc2O)CCC3)[C@@H](O)C1 1090811835 BAOWHUGVDNNXJA-KBPBESRZSA-N 316.361 -0.036 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(c2ccnc(C)n2)C[C@@H]1O 1091149672 CZUFIEIXFFRDFX-OLZOCXBDSA-N 304.350 -0.509 30 20 DBED C#CCN1C[C@@H]2CN(C(=O)c3cc(=O)n(C)cn3)C[C@]2(C)C1 1091751397 DQBGBSKPQSANEJ-WBMJQRKESA-N 300.362 -0.193 30 20 DBED C=CCN1CC2(C[C@H](NC(=O)[C@H]3CCC(=O)N3)c3nccn32)C1 1092356166 GZMDXTQHFNJIEH-NEPJUHHUSA-N 315.377 -0.080 30 20 DBED N#Cc1c[nH]ccc1=NCCNC(=O)[C@@H]1CCNC(=O)CC1 1094024125 PSIHOUNIZOFHAH-NSHDSACASA-N 301.350 -0.180 30 20 DBED C=C(C)CN1CC(N2C[C@@H](NC(=O)[C@@H]3CCNC3=O)CC2=O)C1 1094768131 POQRYAZMCFTDQA-WCQYABFASA-N 320.393 -0.900 30 20 DBED CNC(=O)NCC(=O)NCCCNc1nc(C)cc(C#N)n1 1094857288 NWBNNSIKJUQUJZ-UHFFFAOYSA-N 305.342 -0.496 30 20 DBED CN(CCCNC(=O)C[C@@H]1CCNC1=O)c1cncc(C#N)n1 1095654644 ANJDCFIQHIEMFD-NSHDSACASA-N 316.365 -0.183 30 20 DBED CCN(CCCNC(=O)[C@H]1CNC(=O)N1)c1ccnc(C#N)n1 1095960033 OFMLVUQJACACIH-SNVBAGLBSA-N 317.353 -0.638 30 20 DBED CCC(=O)NCC(=O)N[C@H]1CCN(c2cncc(C#N)n2)C1 1096331842 SOEQYMZLNJMBMU-JTQLQIEISA-N 302.338 -0.431 30 20 DBED N#Cc1nccnc1N[C@@H](CNC(=O)[C@@H]1CCC(=O)N1)C1CC1 1096696626 BUHKDGNWTXNZTN-JQWIXIFHSA-N 314.349 -0.066 30 20 DBED C[C@@H](C(=O)N[C@H]1C[C@@H](Nc2nccnc2C#N)C1)S(C)(=O)=O 1097264673 AQKLVSGYICGOTH-LPEHRKFASA-N 323.378 -0.160 30 20 DBED CC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 1097838710 CSSXAHOUYMHFML-PEBLQZBPSA-N 305.378 -0.236 30 20 DBED C#CCN(CCO)C1CCN(C(=O)C[C@H]2CCNC2=O)CC1 1098390800 YDGLLFZBIJHODN-CYBMUJFWSA-N 307.394 -0.569 30 20 DBED C[C@@H]1C[C@H]1C(=O)N1CCC(N(CCO)CC(=O)NCC#N)CC1 1098449764 LWENFZVSLFDCHJ-TZMCWYRMSA-N 322.409 -0.433 30 20 DBED C[C@@H](CCNC(=O)[C@@H]1CCC(=O)N1)N=c1cc[nH]c(C#N)n1 1099361694 JQNVMJYEYKSFEW-UWVGGRQHSA-N 302.338 -0.645 30 20 DBED COCC#CCN1CC[C@H](NC(=O)C2CCOCC2)[C@@H](O)C1 1099609517 AYMOBDCGGLIMEL-GJZGRUSLSA-N 310.394 -0.386 30 20 DBED C[C@H](CCNC(=O)C1(C(N)=O)CC1)Nc1nccnc1C#N 1099658591 SFZDAKMTXQGOHU-SECBINFHSA-N 302.338 -0.080 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCN(CCCCC)C[C@@H]1O 1099788003 ANISQBSSLHNYEU-KGLIPLIRSA-N 309.410 -0.133 30 20 DBED C=CCN1CC[C@@H](NC(=O)C(C)(C)NS(C)(=O)=O)[C@@H](O)C1 1100026686 GIFYGKNGCOUOTR-MNOVXSKESA-N 319.427 -0.948 30 20 DBED CNC(=O)NCCC(=O)NCCN(C)c1ccc(C#N)nc1 1100058831 AXWWWYFTIOTIFE-UHFFFAOYSA-N 304.354 -0.175 30 20 DBED CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CCCN1c1nccnc1C#N 1100776963 WDHGZWHXSRDENA-JQWIXIFHSA-N 316.365 -0.042 30 20 DBED CCC(=O)NCC(=O)NC[C@@H]1CCCN1c1cnc(C#N)cn1 1100810300 RVRVVZSXEVGVAA-LBPRGKRZSA-N 316.365 -0.041 30 20 DBED C=C(C)CNC1CC(CNC(=O)CN2CC(=O)N(C)C2=O)C1 1100864723 APBLPCHBAKWGEY-UHFFFAOYSA-N 308.382 -0.059 30 20 DBED N#Cc1ccc(N(CCNC(=O)[C@H]2CNC(=O)N2)C2CC2)nn1 1101432828 MPELUARZMVKPJG-LLVKDONJSA-N 315.337 -0.885 30 20 DBED Cc1cc(C#N)nc(NCCN(C)C(=O)c2ncn(C)n2)n1 1101574674 XZAPDZUJVHLJGX-UHFFFAOYSA-N 300.326 -0.031 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)[C@H](C)NC(N)=O)c3nccn32)C1 1101623489 DJOKYZHKEASOFH-QWRGUYRKSA-N 316.365 -0.855 30 20 DBED COCC#CCN1C[C@@H](C)[C@H](CCNC(=O)Cn2ncnn2)C1 1102991339 JVSXDBXDEBUDPV-ZIAGYGMSSA-N 320.397 -0.603 30 20 DBED C#CCN1C[C@@H](C)[C@H](CCNC(=O)CNS(=O)(=O)CC)C1 1103052761 MDSCYYQADOTAIL-CHWSQXEVSA-N 315.439 -0.367 30 20 DBED C=CCOCC(=O)N1C[C@@H](C)[C@H](CCNCc2nnnn2C)C1 1103991833 ZLJDOMZRMPFTFE-CHWSQXEVSA-N 322.413 -0.013 30 20 DBED CC(=O)CCCC(=O)NC[C@H](O)CNc1nccnc1C#N 1105720494 UJRWLKQIAYPBSR-NSHDSACASA-N 305.338 -0.003 30 20 DBED CC[C@@H](OC)C(=O)NC[C@H](O)CN=c1cc(C)[nH]cc1C#N 1105780381 RFGIHCLLMYOEKF-TZMCWYRMSA-N 306.366 -0.002 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@H](O)CNc1cncc(C#N)n1 1105806294 UCAKHLLQXIZGIB-BXUZGUMPSA-N 305.338 -0.436 30 20 DBED Cc1nc(NC[C@H](O)CNC(=O)C#CC(C)C)nc(N(C)C)n1 1105812040 PKGBZJNRORLOPE-GFCCVEGCSA-N 320.397 -0.206 30 20 DBED N#Cc1cncc(NC[C@H](O)CNC(=O)C[C@@H]2COC(=O)C2)n1 1105820241 UTQNQYREUJCFIR-ONGXEEELSA-N 319.321 -0.810 30 20 DBED CC[C@@H](C(=O)NC[C@H](O)CNc1ccc(C#N)nn1)N(C)C 1105926418 UVFVCHXIULFDTF-NEPJUHHUSA-N 306.370 -0.423 30 20 DBED CN(C)CCCC(=O)NC[C@H](O)CN=c1cc[nH]cc1C#N 1106075991 MXOSJVMMAHQHRK-CYBMUJFWSA-N 305.382 -0.394 30 20 DBED C#CCNC[C@@H]1CN(C(=O)CN2CCCS2(=O)=O)C[C@H]1C 1106210895 HMMGMRJOYHVPQV-CHWSQXEVSA-N 313.423 -0.661 30 20 DBED C[C@@H](CCNc1ccc(C#N)cn1)NC(=O)[C@@H]1CNC(=O)N1 1106542324 DMOVJKVUECQGLO-ONGXEEELSA-N 302.338 -0.059 30 20 DBED CCN(CCN=c1cc[nH]cc1C#N)C(=O)[C@@H]1CCNC1=O 1106909324 IBMJSKDGYSJZIS-GFCCVEGCSA-N 301.350 -0.228 30 20 DBED CN1CCOC[C@@H]1C(=O)NC/C=C/CNc1ccc(C#N)nn1 1107162041 PGMWSYMZIRTZOI-YWVDXFKGSA-N 316.365 -0.237 30 20 DBED C=CCCCCCN1CC(n2cc(CNC(=O)C(N)=O)nn2)C1 1107201919 IFHQRTRRUDLAPQ-UHFFFAOYSA-N 320.397 -0.017 30 20 DBED N#Cc1nccnc1NC/C=C/CNC(=O)[C@H]1CCC(=O)NC1 1107593322 VLVOXVBWGSSFHZ-GXFZAYBSSA-N 314.349 -0.041 30 20 DBED C[C@H](CS(C)(=O)=O)C(=O)N[C@H](C)CN=c1cc[nH]cc1C#N 1107805319 WDBGWPZAJNSVGV-GHMZBOCLSA-N 324.406 -0.028 30 20 DBED C[C@H](CNc1cncc(C#N)n1)NC(=O)C[C@H]1CCC(=O)N1 1107838726 IUYKVEFLIBJXCH-NXEZZACHSA-N 302.338 -0.066 30 20 DBED Cn1nnnc1CN1CCO[C@](C)(CNC(=O)C#CC2CC2)C1 1107929916 BYLUNPABIMAPGB-OAHLLOKOSA-N 318.381 -0.669 30 20 DBED Cn1cc(C(N)=O)cc1C(=O)NC[C@@]1(C)CN(CC#N)CCO1 1108055474 OLDZJYWURJJYRC-HNNXBMFYSA-N 319.365 -0.532 30 20 DBED C[C@H](CN=c1cc[nH]cc1C#N)NC(=O)[C@]1(C)CCC(=O)N1 1108091715 WXONACJHOSLTGX-BMIGLBTASA-N 301.350 -0.040 30 20 DBED CC#CCN1CCO[C@](C)(CNC(=O)CCc2cn(C)nn2)C1 1108443872 UGHHWXSNBMRVGM-MRXNPFEDSA-N 319.409 -0.022 30 20 DBED Cc1nsc(NC[C@H](C)NC(=O)Cn2ncnn2)c1C#N 1108540277 PNNAYGLZOUVUOK-ZETCQYMHSA-N 306.355 -0.074 30 20 DBED C[C@@H](CNc1nccnc1C#N)NC(=O)[C@H]1CCCC(=O)N1 1108571167 YRUDXZKZHTYANJ-VHSXEESVSA-N 302.338 -0.066 30 20 DBED C[C@@H](CN(C)c1nccnc1C#N)NC(=O)[C@@H]1CCNC1=O 1109204827 CCDFMRSPDFEPKV-VHSXEESVSA-N 302.338 -0.575 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](CNc1ncccn1)C1CC1 1109815073 QZFBJSNIOXBWMD-LBPRGKRZSA-N 301.350 -0.077 30 20 DBED N#Cc1ccc(N2CC[C@](O)(CNC(=O)[C@H]3CCOC3)C2)nn1 1111043526 GVJZLJJACCFXRF-NHYWBVRUSA-N 317.349 -0.558 30 20 DBED CO[C@@H](C)CC(=O)N(C)[C@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1111175831 WRFIRNWXMSFWSN-DRZSPHRISA-N 319.365 -0.219 30 20 DBED C#CCO[C@H](C)C(=O)N[C@]1(CO)CCCN(c2ncccn2)C1 1111361587 UAYADRLCLRXZBA-CZUORRHYSA-N 318.377 -0.038 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCN=c1ccc2ncc[nH]c-2n1 1111435862 HILGRDHTIAYWCE-NSHDSACASA-N 314.349 -0.209 30 20 DBED Cc1cc(C#N)nc(N[C@H]2CN(C(=O)CNC(N)=O)C[C@H]2C)n1 1112306189 AEFPFDYYPRGHDR-KCJUWKMLSA-N 317.353 -0.416 30 20 DBED C[C@H]1CN(c2ccc(C#N)nc2)CC[C@H]1NC(=O)CNC(N)=O 1112394294 ZEFHSAXZEOSMCA-GXFFZTMASA-N 316.365 -0.047 30 20 DBED C[C@@H]1CN(c2cncc(C#N)n2)CC[C@H]1NC(=O)CC(N)=O 1112396638 YTBGIXJEDKPKEG-MWLCHTKSSA-N 302.338 -0.445 30 20 DBED C#CCOCCC(=O)N1CCN(CC(=O)Nc2ccon2)CC1 1112844991 PRWTZZQOZACPPA-UHFFFAOYSA-N 320.349 -0.203 30 20 DBED Cc1nn[nH]c1C(=O)N[C@@H](C)[C@H](C)N=c1cc[nH]c(C#N)n1 1113249371 RMZDKGOVGREYLC-YUMQZZPRSA-N 300.326 -0.184 30 20 DBED Cc1nc(CC(=O)NC[C@H](C)N(C)c2cnc(C#N)cn2)n[nH]1 1113585818 OMJSOWRAYUOEKO-VIFPVBQESA-N 314.353 -0.042 30 20 DBED C[C@@H](CNC(=O)[C@@H]1COC(=O)N1)N(C)c1cncc(C#N)n1 1113591559 ZCBRLVJQCOMLCI-WPRPVWTQSA-N 304.310 -0.602 30 20 DBED C[C@H]1CCN(c2ccnc(C#N)n2)C[C@H]1NC(=O)CC(N)=O 1114007016 BXYASKKRFFLIJF-VHSXEESVSA-N 302.338 -0.445 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)c3coc(CC)n3)[C@@H]2C1 1114158177 RALPRGLGXPVJFB-GHMZBOCLSA-N 316.361 -0.354 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H]1[C@@H]2CN(Cc3nc(C)no3)C[C@@H]21 1114271526 WSRQHIMUYFLZRV-WUWHUORYSA-N 304.350 -0.037 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)CN3CCC[C@H]3C)[C@@H]2C1 1114832413 QZVDPUFZIABSBA-MGPQQGTHSA-N 320.437 -0.181 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)c3ncccn3)[C@@H]2C1 1115005680 PWFURFUJVLANGM-QJPTWQEYSA-N 315.377 -0.173 30 20 DBED CO[C@H](C)C(=O)NCCOCCN(C)c1cncc(C#N)n1 1115183579 RIHMRYDFDQJATP-LLVKDONJSA-N 307.354 -0.048 30 20 DBED C=CCCOCC(=O)NC1[C@H]2CN(Cc3nc(O)n[nH]3)C[C@H]12 1115329959 DKSJSWWPVHDOLG-UWVGGRQHSA-N 307.354 -0.351 30 20 DBED C[C@@H](NS(C)(=O)=O)C(=O)NCC1(NCC#N)CCCCC1 1115748674 CGGIGHWILAIHMF-LLVKDONJSA-N 316.427 -0.144 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H](C)[C@@H]2CCOC2)C1=O 1117724467 HGHCODKJACBOCH-UPJWGTAASA-N 323.393 -0.227 30 20 DBED Cc1cc(NC(=O)C(=O)N[C@@]2(C)CCNC2)nn1CCC#N 1118526677 YWUIKJSGLSOCEQ-AWEZNQCLSA-N 304.354 -0.088 30 20 DBED C=CCS(=O)(=O)CCN[C@@H]1C(=O)NCC12CCOCC2 1119700383 FVCIFHIRHYCTCQ-LLVKDONJSA-N 302.396 -0.528 30 20 DBED C=CCCOCCNC(=O)C(=O)N1CCOC[C@@H]1CCO 1119857211 YUGQQJYOVKFACU-LBPRGKRZSA-N 300.355 -0.695 30 20 DBED C#CC1CCN(c2nnnn2C[C@H]2CC[C@H](C(N)=O)O2)CC1 1120285832 REFCFZKPWCNWPQ-VXGBXAGGSA-N 304.354 -0.444 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)Cc2cncnc2)cn1 1121412176 KUJOILMVBVHTSW-AWEZNQCLSA-N 312.333 -0.125 30 20 DBED Cc1cc(=N[C@H](CO)CNC(=O)C(C)(C)C(N)=O)c(C#N)c[nH]1 1122198980 ZCXMJDSAUUCLOZ-NSHDSACASA-N 319.365 -0.916 30 20 DBED N#Cc1nccnc1N[C@H](CO)CNC(=O)[C@@]1(F)CCOC1 1122412204 WTPKSWPYXVOORY-TVQRCGJNSA-N 309.301 -0.634 30 20 DBED N#Cc1cnc(N2CC[C@@]3(NC(=O)CC(N)=O)CCC[C@@H]23)cn1 1123394574 QTOXQYDAXACZTD-ABAIWWIYSA-N 314.349 -0.159 30 20 DBED N#Cc1ccc(NC[C@@H]2CC[C@@H](NC(=O)CNC(N)=O)C2)nn1 1123719284 MXNPYVQVEHWTRC-NXEZZACHSA-N 317.353 -0.287 30 20 DBED N#Cc1cc(C(=O)NCCNCC(=O)NC2CCOCC2)c[nH]1 1125988206 PMFCJJRIJRVNAH-UHFFFAOYSA-N 319.365 -0.499 30 20 DBED C=C(C)CN(CC)C(=O)CNCCNC(=O)CCn1ccnn1 1126270670 YEMOBTOFSDXJOY-UHFFFAOYSA-N 322.413 -0.201 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@H]1CCCCN1C(=O)CC 1128019362 OOBKVRVNTQMDNR-CYBMUJFWSA-N 324.425 -0.215 30 20 DBED CNC(=O)CN1CCn2ncc(CNC(=O)[C@H](C)C#N)c2C1 1128264449 NBRNZAJYOIAKCJ-SNVBAGLBSA-N 304.354 -0.779 30 20 DBED Cn1nccc1CC(=O)NCc1cnn2c1CN(CC#N)CC2 1128327842 WYFAYZDLRRDMQN-UHFFFAOYSA-N 313.365 -0.185 30 20 DBED C#CCC1(C(=O)NCCNCc2nnnn2C)CCOCC1 1129116838 KDKODKZBXMKELG-UHFFFAOYSA-N 306.370 -0.764 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCN[C@H]1CCCN(C)C1=O 1129770644 KKCKQPFVOUQOPT-KBPBESRZSA-N 306.410 -0.589 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)COCc1cc(C)no1 1130120596 ILMFXAMDJQBJSY-GFCCVEGCSA-N 322.365 -0.657 30 20 DBED C#CCN1CCOC[C@@H]1c1n[nH]c(CNC(=O)COCC=C)n1 1130834548 BLNZNDCBHAGSMC-GFCCVEGCSA-N 319.365 -0.370 30 20 DBED C[C@H](C#N)C(=O)NCc1nc([C@H]2C[C@H](F)CN2CC(N)=O)n[nH]1 1131151546 IYSZIKOKKIQMMN-HRDYMLBCSA-N 323.332 -0.849 30 20 DBED C=CCN1C[C@H]2C[C@@H]3CN(C(=O)CNC(=O)NC)C[C@@]3(C1)O2 1131238087 QWGNFEGXJBXTBP-LALPHHSUSA-N 308.382 -0.597 30 20 DBED Cc1ccc2ncc(C(=O)NCCNCC(=O)NCC#N)n2c1 1131292082 HRTURCGHXXBFPB-UHFFFAOYSA-N 314.349 -0.398 30 20 DBED C=CCOCCN1CC[C@]2(C1)CN(C(=O)C(N)=O)C[C@H](C)O2 1131676444 AGMWPXOKZXVKGV-WFASDCNBSA-N 311.382 -0.634 30 20 DBED C#CCNC(=O)CN1C[C@H](NC(=O)c2cnccn2)CC[C@@H]1C 1131751137 FWHDCMGVWNDZDM-QWHCGFSZSA-N 315.377 -0.191 30 20 DBED C#CCNC(=O)CNCCNC(=O)CCc1c(C)nn(C)c1C 1132032645 GUWWSCYHWMNDPD-UHFFFAOYSA-N 319.409 -0.575 30 20 DBED C[C@H]1CC[C@@H](NC(=O)CCS(=O)(=O)N(C)C)CN1CC#N 1132505340 RCWLRVSFCAUTHT-NWDGAFQWSA-N 316.427 -0.239 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)CCCn1ccnc1C 1135305418 VCFCNZUOAYZONX-ZDUSSCGKSA-N 319.409 -0.185 30 20 DBED N#Cc1ncn(CC(=O)NCc2nc(-c3ccncc3)n[nH]2)n1 1142373152 JKAJOEAAQLJZOG-UHFFFAOYSA-N 309.293 -0.354 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@@H]1CCO[C@H](C(C)C)C1 1146769832 NVRJEANGGJKUTQ-KGLIPLIRSA-N 309.410 -0.107 30 20 DBED CC#CCN1CCCO[C@H](CNC(=O)[C@]2(C)CCC(=O)N2)C1 1150276972 OLZAXTPUEUFANZ-CJNGLKHVSA-N 307.394 -0.115 30 20 DBED CC#CCN1CCCO[C@H](CNC(=O)C(=O)NCC2CC2)C1 1150519554 XRPYILVXOPXUBJ-CQSZACIVSA-N 307.394 -0.257 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)c1n[nH]cc1F 1155077515 RPFPMLRUUVUSKY-SNVBAGLBSA-N 309.345 -0.262 30 20 DBED C=CCNC(=O)CN(CC)[C@H](C)CNC(=O)CCCC(N)=O 1157274238 QGJXGEBGFMDBPV-GFCCVEGCSA-N 312.414 -0.229 30 20 DBED CNC(=O)NCCC(=O)N1CC[C@H]2OCCN(CC#N)[C@H]2C1 1177001750 WKDJRAGNKVSKIS-NWDGAFQWSA-N 309.370 -0.869 30 20 DBED CNC(=O)NC(C)(C)C(=O)N1CC[C@H]2OCCN(CC#N)[C@H]2C1 1177156525 JTDBICDGZOVSCB-NWDGAFQWSA-N 323.397 -0.481 30 20 DBED C#CCNC(=O)CNC[C@@H]1C[C@H]2CC[C@H]1N(C(=O)CCOC)C2 1177559909 QYYWVOFBYDITCK-QLFBSQMISA-N 321.421 -0.011 30 20 DBED C=CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)c2ncn(C)n2)[C@H]1C 1178632214 JPUBINWJOGGBMQ-SRVKXCTJSA-N 320.397 -0.302 30 20 DBED C[C@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)CO[C@H]1CCOC1 1178671985 UXXKEXYFXVJYKQ-AVGNSLFASA-N 324.381 -0.989 30 20 DBED C#CCNC[C@H]1CN(C(=O)CNC(=O)NC)CC12CCOCC2 1186402480 PBWZLTWCTVENIB-ZDUSSCGKSA-N 322.409 -0.607 30 20 DBED CN([C@H]1CCC(=O)NC1=O)[C@@H]1CCN(C(=O)CSCC#N)C1 1188958050 CNWXEDBEDRPSFL-MNOVXSKESA-N 324.406 -0.419 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)[C@H]2CCCOC2)C1 1189301123 QLZKUTJHBCGZAW-UONOGXRCSA-N 307.394 -0.305 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)CCCC(=O)NC)C1 1189786797 JOQPIOSCRCHUHO-ZDUSSCGKSA-N 324.425 -0.262 30 20 DBED C[C@@H](C(=O)NC(N)=O)N(C)[C@@H]1CCN(C(=O)C#CC2CC2)C1 1190076781 VQABOZIOBJZCHO-CMPLNLGQSA-N 306.366 -0.484 30 20 DBED C#CCN1C[C@@H]2CCN(C(=O)CCNC(=O)[C@@H]3CCCO3)[C@@H]2C1 1190495990 WIYMULQZVHSSPZ-ZNMIVQPWSA-N 319.405 -0.162 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(CCc2cnn(C)c2)C[C@H]1O 1192530282 MJQDACBDEVEKFJ-FMKPAKJESA-N 322.409 -0.549 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(CCCOCC)C[C@H]1O 1192547789 SXAVMGHJESEDAS-NFAWXSAZSA-N 300.399 -0.099 30 20 DBED CC1(C)CC[C@@H]1C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1O 1195517981 JGINQLVQESVQLE-IJLUTSLNSA-N 308.382 -0.776 30 20 DBED C#CCO[C@H](C)C(=O)N1CCCN([C@H]2CCCNC2=O)CC1 1195791565 FGFUKSRKYHVLSR-KGLIPLIRSA-N 307.394 -0.162 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)OC)CC1 1199666794 BPMBUFVSRYAZGR-OLZOCXBDSA-N 321.377 -0.875 30 20 DBED COC(=O)[C@H]1C[C@@H]1C(=O)N1CCC(NCC(=O)NCC#N)CC1 1199667286 IETLRFZLVTYBPP-RYUDHWBXSA-N 322.365 -0.984 30 20 DBED C#CCN[C@H]1C[C@@H](NC(=O)CN(C)C(=O)COC)C12CCC2 1203007236 WTRJYJKMFKQYRX-QWHCGFSZSA-N 307.394 -0.259 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC(CNC[C@@H](O)COC)CC1 1205264155 AKPKQRUPYVBFKW-DZGCQCFKSA-N 312.410 -0.140 30 20 DBED C=CCNC(=O)[C@@H](C)NCC1CCN(C(=O)c2cnn[nH]2)CC1 1205609291 WKRGVNYXEYWNOC-LLVKDONJSA-N 320.397 -0.063 30 20 DBED COCC#CCNCC1CCN(C(=O)[C@]2(C)CCNC2=O)CC1 1206260387 CGKVKJQXWUIRST-QGZVFWFLSA-N 321.421 -0.009 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(CC(=O)NC(C)C)C[C@H]1C 1206959733 ASIQJVVQXDUVLW-ZIAGYGMSSA-N 309.410 -0.013 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2nc(O)n[nH]2)C[C@H]1C 1206964045 VBRGSHGCVGZXBB-GMTAPVOTSA-N 307.354 -0.515 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCCN(C(=O)c2cnnn2C)C1 1207957218 FLRCZRQOUGXOET-NWDGAFQWSA-N 318.381 -0.853 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC[C@@H](NCc2nncn2C)C1 1208018656 SBDBRLVLXLQVFW-QWHCGFSZSA-N 305.382 -0.066 30 20 DBED COCC#CCN[C@@H]1CCCN(C(=O)[C@H]2CCCNC2=O)C1 1208372951 FAKKAEKGOBLLBP-KGLIPLIRSA-N 307.394 -0.257 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)[C@]2(F)CCOC2)C1 1209243039 SUXHGHSOLUKHES-WFASDCNBSA-N 311.357 -0.555 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(Cc2nnnn2C)C[C@H]1C 1211420322 DJQZGRXXUACWRO-VXGBXAGGSA-N 308.386 -0.261 30 20 DBED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)c1ccccc1 1211768925 XPRQMSWUNAWUJG-ZIAGYGMSSA-N 316.361 -0.245 30 20 DBED CO[C@@H]1CN(CC(=O)N2CCCCC2)C[C@H]1NC(=O)[C@@H](C)C#N 1212039018 DHZAVXMXCUQBFX-BFHYXJOUSA-N 322.409 -0.026 30 20 DBED C#CCOCCC(=O)N1C[C@@H](NCC(=O)NCCC)[C@H](C)C1 1214608960 RSEZYLXOTRTIPW-ZIAGYGMSSA-N 309.410 -0.011 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@H]1C 1215410476 VZMARXFXQULVAF-DGCLKSJQSA-N 304.350 -0.530 30 20 DBED CC#CCN[C@@H]1CN(C(=O)CN2C(=O)NC(=O)C2(C)C)C[C@H]1C 1216205178 NMAAXMFTHWTDAW-VXGBXAGGSA-N 320.393 -0.223 30 20 DBED COc1cncc(CCC(=O)N[C@@H]2CN(CC#N)C[C@@H]2O)c1 1219978677 IRLVKWBNZBOZLZ-KGLIPLIRSA-N 304.350 -0.292 30 20 DBED CS(=O)(=O)C1(C(=O)N[C@@H]2CN(CC#N)C[C@@H]2O)CCCC1 1220542825 RLCTVYVZIMHUFW-MNOVXSKESA-N 315.395 -0.971 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H]2CCN(CC#CCOC)C[C@H]21 1221491572 PIKBJKVUNISBAE-HUUCEWRRSA-N 317.389 -0.692 30 20 DBED CC(C)[C@@H](O)C(=O)NCC1CCN(CC(=O)NCC#N)CC1 1223057787 ZIQWBZHYRGSNHM-CQSZACIVSA-N 310.398 -0.529 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)[C@@H]2COCCO2)CC1 1226176848 KIXVBKSYUUCPKK-ZDUSSCGKSA-N 311.382 -0.715 30 20 DBED CCn1ccnc1C(=O)NC1CCN(CC(=O)NCC#N)CC1 1227061659 ZZDGIOPAZCVYNB-UHFFFAOYSA-N 318.381 -0.263 30 20 DBED C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CCN2CC(=O)NCC#N)CCN1C 1234392562 MVGNXVGRXUOIAA-MGPQQGTHSA-N 321.425 -0.501 30 20 DBED C#CCC[C@@H](O)CNC(=O)c1ccnc2c(C(N)=O)cnn12 1321197507 IBOLOQSJCLQUSG-SECBINFHSA-N 301.306 -0.668 30 20 DBED C#CCC[C@H](O)CNC(=O)C(=O)Nc1ccc(C(N)=O)c(F)c1 1321663628 WNEIHFVHLKHPAU-JTQLQIEISA-N 321.308 -0.246 30 20 DBED O=C(NCCN/C(O)=C1\N=CC=CC1=O)NC[C@@H]1CCCO1 1321746352 OVSLPXJGRRMQDH-ZFEMDRMUSA-N 308.338 -0.009 30 20 DBED CC1CCN([C@@H](C)CNC(=O)C(=O)N2CCO[C@@H](C#N)C2)CC1 1322519386 FDWYFUWDRXFVGG-KBPBESRZSA-N 322.409 -0.026 30 20 DBED C#CCCCCNC(=O)C(=O)N1CCN(CC(C)(C)O)CC1 1322907070 JITFJHCJJHRFHF-UHFFFAOYSA-N 309.410 -0.179 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N[C@@H]1CCN(C(=O)OCC)C1 1323529445 ZKLXOHORZXBHOF-WDEREUQCSA-N 313.354 -0.349 30 20 DBED C[C@]1(C#N)CCCN(C(=O)C(=O)NCc2nnnn2C2CC2)C1 1323563509 SRVUJFWDYLCFHR-CQSZACIVSA-N 317.353 -0.224 30 20 DBED C[C@H](O)C[C@H]1COCCN1C(=O)C(=O)N1CC[C@@](F)(C#N)C1 1325161932 IDCGNQWQDMEZHX-COPLHBTASA-N 313.329 -0.551 30 20 DBED N#Cc1ccc(CCNC(=O)C(=O)NC[C@H]2COCCO2)cc1 1327907623 LCYYMLLVHJCDLL-AWEZNQCLSA-N 317.345 -0.251 30 20 DBED CCC(N)(CC)CNC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1330851508 WQLWLYMTCJQEMC-ZDUSSCGKSA-N 321.425 -0.181 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCN(C)C[C@H]1CC(C)C 1332869789 WQMQAPMBGRDWOT-CQSZACIVSA-N 309.410 -0.059 30 20 DBED C#CCCn1nnnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1334408887 DPNDTMNQXAIMKI-GFCCVEGCSA-N 324.410 -0.299 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N1CCOC[C@@H]1CCO 1341709210 UPYOMPXAEFPLHX-STQMWFEESA-N 312.366 -0.859 30 20 DBED COC[C@@H](C)NC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N 1342383221 RWZRHVHFFYVHOH-SECBINFHSA-N 322.369 -0.594 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N1CCC[C@H](OCCO)C1 1343080709 PKQFIYSLCKCXCQ-RYUDHWBXSA-N 300.355 -0.697 30 20 DBED C#CCCCn1nnnc1N1CCC[C@H](S(=O)(=O)NC)C1 1343889916 ZPTBPSAWSMRFNA-NSHDSACASA-N 312.399 -0.396 30 20 DBED CC(C)N1C[C@@H](NC(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)CC1=O 1349026621 VHTWTYLDSMHJMM-TUAOUCFPSA-N 306.366 -0.080 30 20 DBED N#Cc1cn(CC(=O)NC[C@H](O)c2ccccc2)c(=O)nc1O 1362124909 GTDMVQDKHPARKX-LBPRGKRZSA-N 314.301 -0.330 30 20 DBED C[C@H]1CN(C(=O)[C@H](C)n2cnc(C#N)n2)C[C@@H](C)N1CCO 1362576815 YMCZAMISENMMOD-TUAOUCFPSA-N 306.370 -0.376 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H](C)c1nnnn1C 1364992012 UCHZZDUXEBSFAO-RKDXNWHRSA-N 301.376 -0.413 30 20 DBED C=C(Cl)CN1CCN(CCNC(=O)[C@@H](C)NC(C)=O)CC1 1369878476 SCVUSCOTSHYJFE-GFCCVEGCSA-N 316.833 -0.003 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1C[C@@H](NC(=O)CN2CCCNC2=O)C1 1371703406 HQYJVRSFJZLIHP-UTUOFQBUSA-N 321.381 -0.428 30 20 DBED COCCn1ccc(C(=O)N[C@@H](C)CNC(=O)[C@@H](C)C#N)n1 1373060871 FIQPURCVYNYEBH-QWRGUYRKSA-N 307.354 -0.076 30 20 DBED COCCN(CCNC(=O)Cc1cnc[nH]1)C(=O)[C@H](C)C#N 1383342309 XWHFAEVEMANHLH-LLVKDONJSA-N 307.354 -0.297 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CN(C)C(=O)C1(C)CCOCC1 1384250431 ZVIMTSGETXWFNU-VXGBXAGGSA-N 311.382 -0.102 30 20 DBED C[C@H](C#N)C(=O)N(CCO)C1CCN(C(=O)c2cnn[nH]2)CC1 1384771071 RXGXPTLISZLZON-SNVBAGLBSA-N 320.353 -0.610 30 20 DBED C[C@H](C#N)C(=O)N(C)CCN1CCN(Cc2nc(O)n[nH]2)CC1 1391329144 CQQTYXXIGLEAOZ-LLVKDONJSA-N 321.385 -0.754 30 20 DBED CCN(CCC#N)C(=O)CN1CC(NC(=O)[C@H]2CCN(C)C2)C1 1404835049 HNIMKABBFHEDAY-ZDUSSCGKSA-N 321.425 -0.499 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1c[nH]c2nccc-2c1 1410129704 NIVDSBKTHBSQIA-CABZTGNLSA-N 315.333 -0.119 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]1CN(C)C(=O)CN1CCOCC1 1414109906 HKWDHWLEWSSACM-CHWSQXEVSA-N 308.382 -0.462 30 20 DBED C[C@@H]1C[C@H](C(=O)NCCn2cc(C#N)c(O)nc2=O)CCC1=O 1434205674 BWGHFUPAPMGANX-NXEZZACHSA-N 318.333 -0.058 30 20 DBED C=C(Cl)CN[C@H]1C[C@H](NC(=O)CCS(=O)(=O)NC)C1 1436892799 NSWKGZLDGYWHFR-MGCOHNPYSA-N 309.819 -0.085 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1C[C@@H](NC(=O)CCn2ccnn2)C1 1445962594 WRDHWHJGDNYSCK-SDDRHHMPSA-N 304.354 -0.161 30 20 DBED CNC(=O)CCCC(=O)N[C@H]1[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]21 1447685258 YCBSIYCPIGHQJW-PUHVVEEASA-N 306.366 -0.365 30 20 DBED CCO[C@@H]1C[C@H](NC(=O)Cn2cc(C#N)c(O)nc2=O)[C@@H]1OC 1448122452 SLLBKSKWNYXHAK-UMNHJUIQSA-N 322.321 -0.871 30 20 DBED C[C@H](C#N)C(=O)NC1CN(C(=O)c2ccc(C(N)=O)nc2)C1 1450483458 URTKKSJIUNKZFV-MRVPVSSYSA-N 301.306 -0.719 30 20 DBED C[C@@H](C(=O)N(CC(N)=O)C1CCOCC1)n1cnc(C#N)n1 1455256712 GDUGQPDJXPDAPD-VIFPVBQESA-N 306.326 -0.796 30 20 DBED Cn1c(N[C@@H](CO)[C@@H]2CCCOC2)c(C#N)c(=O)n(C)c1=O 1458431929 SUGVROKGNZESKL-KOLCDFICSA-N 308.338 -0.845 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)C[C@@H]2CCN(C)C2=O)C1 1490548746 HFGOASXCWDXFAV-STQMWFEESA-N 322.409 -0.653 30 20 DBED Cc1noc(CCC(=O)N2CC[C@H](NCC(=O)NCC#N)C2)n1 1490835388 ITXWBRIAQPPFRZ-NSHDSACASA-N 320.353 -0.859 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCN(C)c1cncc(-c2nn[nH]n2)n1 1573562436 UFOFIXMMAIRSPR-VIFPVBQESA-N 315.341 -0.289 30 20 DBED C[C@H](CNC(=O)CCOCc1cnn[nH]1)CNC(=O)[C@H](C)C#N 1575589323 TVWKMTOBHKDEDL-GHMZBOCLSA-N 322.369 -0.260 30 20 DBED COc1cc(CS(=O)(=O)N[C@H]2CNC[C@@H]2C#N)sn1 1579153895 OJYRTSZEIHSFLC-CBAPKCEASA-N 302.381 -0.317 30 20 DBED Cn1cc(-c2nn[nH]n2)c(=O)n(Cc2nc(C#N)cs2)c1=O 1581753472 GFIUFDGIEFAXOK-UHFFFAOYSA-N 316.306 -0.896 30 20 DBED C#CCN1CCC(C(=O)N2C[C@@H](C(=O)O)[C@H](C(=O)OC)C2)CC1 1588471148 BANQNQSXSVCKCA-CHWSQXEVSA-N 322.361 -0.336 30 20 DBED C=CCOC[C@@H](NC(=O)[C@]12CCC(=O)N1CCS2)C(=O)O 1588855405 FWHQFWMIGAWVPJ-NOZJJQNGSA-N 314.363 -0.176 30 20 DBED C[C@@H](C(=O)[C@@H](C#N)C(=O)NC1CC1)n1cnc(-c2nn[nH]n2)n1 1588935983 CAVQMNVUXBGXHB-POYBYMJQSA-N 315.297 -0.993 30 20 DBED N#Cc1c(-c2nn[nH]n2)nc(N)n1COC(=O)N1CCCC1 1592684163 PYEKEHLBOABZGM-UHFFFAOYSA-N 303.286 -0.293 30 20 DBED CS(=O)(=O)N1CCC(CC(=O)N(CC#N)CC(=O)O)CC1 1599754469 WZJQBNBXTIJGSL-UHFFFAOYSA-N 317.367 -0.515 30 20 DBED C[C@H]1CCN(c2cnc(C#N)c(-c3nn[nH]n3)n2)C[C@@H]1CO 1603908566 DUMOWEHBTXJDTC-DTWKUNHWSA-N 300.326 -0.017 30 20 DBED CCC(=O)N1CC[C@H](Nc2cnc(C#N)c(-c3nn[nH]n3)n2)C1 1603969435 SNOXWDDXILCMOO-QMMMGPOBSA-N 313.325 -0.049 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)NCCC(=O)NCCC(=O)O 1604061967 YBWSOVSJSUQNAC-VIFPVBQESA-N 320.371 -0.964 30 20 DBED N#Cc1cn(C2CN(C(=O)NCCCC(=O)O)C2)c(=O)nc1O 1608222608 FKKFCMCSRAVEQU-UHFFFAOYSA-N 321.293 -0.748 30 20 DBED Cn1c(N2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)O)c(C#N)c(=O)n(C)c1=O 1610598230 DWLRVEUIMCHAID-QXEWZRGKSA-N 318.333 -0.355 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)NCC1CCS(=O)(=O)CC1 1645764686 TZYHYHCQLGOJTP-JTQLQIEISA-N 323.440 -0.120 30 20 DBED C=CCNC(=O)[C@H](C)N1CCC(N(C)C(=O)CNC(C)=O)CC1 1752290365 MRUNHUWHTLOSMT-LBPRGKRZSA-N 324.425 -0.264 30 20 DBED CC#CCN1CCN(CCNC(=O)[C@H](CC)NC(C)=O)CC1 1752374257 BOZWLKARJZLCSF-HNNXBMFYSA-N 308.426 -0.342 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)[C@H](CC)NC(C)=O)C1 1752594087 ZAPLGVULKKRLBT-STQMWFEESA-N 310.398 -0.606 30 20 DBED C=CCNC(=O)CN[C@H]1C[C@H](NC(=O)C[C@H]2CCN(C)C2=O)C1 1752641152 DFUVDVVDZJDUNQ-JHJVBQTASA-N 322.409 -0.606 30 20 DBED Cc1cc(C)n(CC(=O)N2CC[C@H](CNCC#N)C2)c(=O)n1 1752957337 XFGNPMPFGRYSHL-CYBMUJFWSA-N 303.366 -0.178 30 20 DBED C#Cc1ccc(C(=O)NCCN(CC)CC(=O)NC(N)=O)cc1 1753086311 MHKOFNGUWZDJFP-UHFFFAOYSA-N 316.361 -0.086 30 20 DBED C#CCNC(=O)[C@H](C)NCCN(CC)C(=O)[C@H](C)n1cncn1 1754041245 IAMQYLCGENBSTQ-STQMWFEESA-N 320.397 -0.585 30 20 DBED COCC#CCN1CC[C@@H]1CNC(=O)c1cc(C(N)=O)ccn1 1754503778 BOXWRKPMLDFRQA-CYBMUJFWSA-N 316.361 -0.366 30 20 DBED C#CCNC(=O)CN1CC(O)(CNC(=O)C2(C)CC=CC2)C1 1754773398 NIMCYKUHDFEAHS-UHFFFAOYSA-N 305.378 -0.745 30 20 DBED C#CCCNCCN(CCO)C(=O)c1c(C)c(C)nn(C)c1=O 1754887966 BEXDKTJALYXICC-UHFFFAOYSA-N 320.393 -0.555 30 20 DBED N#CCNC(=O)CN1CC2(C[C@@H](NC(=O)[C@@H]3CC34CC4)CO2)C1 1755064390 SQJBRFRENGSBFT-NEPJUHHUSA-N 318.377 -0.614 30 20 DBED C=CCOCC(=O)N1CCN(C2CN(CC(=O)NCC)C2)CC1 1755144424 FIAXANHIFGDADB-UHFFFAOYSA-N 324.425 -0.847 30 20 DBED C#CCN1CC(N2CCN(C(=O)CCCCNC(N)=O)CC2)C1 1755145328 JWLBFEJDNWGTNM-UHFFFAOYSA-N 321.425 -0.713 30 20 DBED C#CCNC(=O)CN(C)[C@H](C)CNC(=O)c1[nH]c(C)nc1C 1755316050 CCBAZPNWGSZZQR-SNVBAGLBSA-N 305.382 -0.174 30 20 DBED C#CCNC(=O)CN[C@H](C)CN(C)C(=O)[C@]1(C)CCCOC1 1755610713 IWHCMDYKAOBHEG-CZUORRHYSA-N 309.410 -0.011 30 20 DBED C=CCN[C@H](C)CN(C)C(=O)c1cn(CC(=O)N(C)C)nn1 1755618691 NKVCTBKWSLLSNU-LLVKDONJSA-N 308.386 -0.398 30 20 DBED CCOc1cc(C(=O)NC[C@@H](CO)NCC#CCOC)on1 1755633166 ORBCWYZVLVETAC-NSHDSACASA-N 311.338 -0.597 30 20 DBED COCC#CCNC[C@H](O)CN(C)C(=O)[C@@H](F)C(F)(F)F 1755779647 NQAAGERTXUNYRN-VHSXEESVSA-N 314.279 -0.055 30 20 DBED C=CCCC(=O)N[C@@H](C)C1CN(C(=O)CN2CCNC(=O)C2)C1 1756130951 XHKIMSOEYSQMPC-LBPRGKRZSA-N 322.409 -0.653 30 20 DBED C=CCCOCC(=O)N[C@H](C)C1CN(C(=O)c2cnn(C)n2)C1 1756147757 VIROYKNHMBCOEN-LLVKDONJSA-N 321.381 -0.016 30 20 DBED C[C@@H]1C[C@@H](NC(=O)C2(C(N)=O)CC2)CN1C(=O)C#CC1CC1 1756588912 XNYBQCKLSLQCAE-ZYHUDNBSSA-N 303.362 -0.229 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@H](NC(=O)C(=O)NCC2CC2)C1 1757027449 DZRXTHYVSFCFDN-VXGBXAGGSA-N 309.366 -0.833 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1[nH]nnc1C)CCO2 1783049232 TXCGOKBRWIJOND-AWEZNQCLSA-N 303.322 -0.810 30 20 DBED C#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN(C)C)[C@H]2C1 1786480135 MZIGYPULPUSCIS-KKUMJFAQSA-N 321.421 -0.059 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(O)cn1 1794993318 NSYTUJCTROBYHM-QHBPRCKVSA-N 315.329 -0.376 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CCC1)C2 1800455932 AWUNMVRPIZKPLJ-DABQJJPHSA-N 301.346 -0.097 30 20 DBED C#CC(=O)N1CC2(CCCN2C(=O)c2cc(OC)nn2C)C1 1842204296 HAAYOHAYFNRPTJ-UHFFFAOYSA-N 302.334 -0.121 30 20 DBED N#CCCC(=O)N1CCCC12CN(C(=O)CC[C@H](N)C(N)=O)C2 1842812643 ATWLXQWURUQBET-NSHDSACASA-N 321.381 -0.914 30 20 DBED C=CCNC(=O)NC(=O)CN1CCC(N2CCNC2=O)CC1 52214706 ZDBBWPPNNOMYCS-UHFFFAOYSA-N 309.370 -0.512 30 20 DBED C#CCNC(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 79264222 XUKSVGTZNSBFCR-UHFFFAOYSA-N 314.345 -0.309 30 20 DBED COCCNC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 135090520 OPMODOHVTRDENF-JTQLQIEISA-N 311.363 -0.012 30 20 DBED C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@H](C)CO)c1 268930316 XUPABYAUBKPLCD-NSHDSACASA-N 310.375 -0.044 30 20 DBED N#Cc1ccccc1S(=O)(=O)NCCCN1C(=O)CNC1=O 269661054 LQRUGPBXPHCQKC-UHFFFAOYSA-N 322.346 -0.222 30 20 DBED CCOC(=O)CO/N=C(/C(=O)N1CC[C@@H](O)C1)c1cc[nH]n1 276536838 FRXISEADAOCFMA-NGPRFVETSA-N 310.310 -0.713 30 20 DBED N#Cc1ncccc1S(=O)(=O)NCCCN1C(=O)CNC1=O 277091834 VRSMUHYVBCGGLW-UHFFFAOYSA-N 323.334 -0.827 30 20 DBED C[C@H]1CS(=O)(=O)C[C@H]1NS(=O)(=O)c1ccc(C#N)nc1 288361905 ITOJVXLEZXGJCA-GZMMTYOYSA-N 315.376 -0.335 30 20 DBED CNS(=O)(=O)CC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 293890065 ZSZUQMGMLPAIHE-LLVKDONJSA-N 324.362 -0.518 30 20 DBED N#Cc1ccc(S(=O)(=O)NCc2cn(CC(=O)O)nn2)cn1 318287179 JCQMQJKYIYGGSU-UHFFFAOYSA-N 322.306 -0.892 30 20 DBED C[C@H](CNS(=O)(=O)CC1(C#N)CC1)N1CCN(C)CC1 329276685 CDJVXQYEXXRRMR-GFCCVEGCSA-N 300.428 -0.155 30 20 DBED Cn1nnc(C/N=C(/O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)n1 330187052 SPPMGLAHCCXFGI-RKDXNWHRSA-N 306.326 -0.158 30 20 DBED COCCN1CN(/C(O)=N/[C@@H]2CC[C@H](C(=O)OC)C2)CC1=O 330403346 VXIHZMDUKBWLAY-WDEREUQCSA-N 313.354 -0.010 30 20 DBED CN(C)C(=O)COc1cccc(N=C(O)N2C[C@H](O)[C@H](O)C2)c1 331222861 WCHXWLNJLJYCAI-BETUJISGSA-N 323.349 -0.264 30 20 DBED CCS(=O)(=O)C[C@H](C)NS(=O)(=O)N(C)C[C@H](C)C#N 332501260 IWNAXAHRNJXHDA-ZJUUUORDSA-N 311.429 -0.265 30 20 DBED N#Cc1cccc(NC(=O)CN2CCN3C(=O)NC(=O)[C@@H]3C2)c1 332565943 AVLLMUPJPGQSJK-LBPRGKRZSA-N 313.317 -0.267 30 20 DBED CCN(CCC#N)S(=O)(=O)N1C[C@@H](C)O[C@@H](C(=O)OC)C1 337960265 NIZUBGIQMQTCGT-GHMZBOCLSA-N 319.383 -0.271 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(CCC)CCN(C)C)C1=O 344872037 LWOBPFOSRMRLLW-UHFFFAOYSA-N 324.381 -0.237 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccnnc2OC)C1=O 346516425 VZQKCUNMSYVSBY-UHFFFAOYSA-N 319.277 -0.600 30 20 DBED CC[C@H](C#N)NC(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1cnn(C)c1 348454652 MWNCVSWCKMWNOQ-RTXFEEFZSA-N 305.338 -0.263 30 20 DBED N#Cc1ccnc(N2CCN(C(=O)[C@H]3C[C@@H](O)CN3)CC2)c1 357901333 CSZHTOFOSWLTBX-CHWSQXEVSA-N 301.350 -0.675 30 20 DBED CCNC(=O)CN1CCN(C(=O)c2cnccc2C#N)CC1 358388516 VKVHPHLQLHKDLZ-UHFFFAOYSA-N 301.350 -0.153 30 20 DBED C=CCOC[C@H](NC(=O)[C@@H]1CN2CCCN1CC2)C(=O)OC 360722945 QPHBYLKKTOMJFF-STQMWFEESA-N 311.382 -0.763 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC[C@@H](N2CCCS2(=O)=O)C1 365517083 RQOCWJMGNGQPAW-CHWSQXEVSA-N 313.423 -0.376 30 20 DBED CNC(=O)[C@H]1CCCN(S(=O)(=O)N(C)C[C@H](C)C#N)C1 407957684 PBEWFJPTUZFLHY-MNOVXSKESA-N 302.400 -0.219 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CCC[C@@H](CCN)C2)nn1 424545981 MHJJJINLGLOCSS-LBPRGKRZSA-N 320.397 -0.332 30 20 DBED Cn1cc(S(=O)(=O)NCC(=O)N[C@]2(C#N)CC2(C)C)cn1 427887941 ROLDUUDKAISYNE-LBPRGKRZSA-N 311.367 -0.493 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CCO[C@@H](C)C2)CC1 491095462 LAPMEZMJGJPOOR-UONOGXRCSA-N 307.394 -0.305 30 20 DBED CN(CCCC(=O)NC(N)=O)CCCc1[nH]nc(N)c1C#N 534098816 BBPWZHYPGQPYBP-UHFFFAOYSA-N 307.358 -0.297 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCc2cc(C)on2)C1=O 557330998 UFYNKYCCWHQLRE-LBPRGKRZSA-N 320.349 -0.155 30 20 DBED CC[C@@]1(C)NC(=O)N(CC(=O)N[C@@](C)(C#N)CN(C)C)C1=O 564088850 DPGKBWAKBZBJRK-UONOGXRCSA-N 309.370 -0.333 30 20 DBED N#CCCC1CCN(C(=O)C(=O)NC[C@H]2CNCCO2)CC1 565363681 OQBCTMXYELZOCD-CYBMUJFWSA-N 308.382 -0.367 30 20 DBED N#Cc1ccccc1OCC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1O 565843985 SCBBUBWMYKRSAY-GHMZBOCLSA-N 310.331 -0.789 30 20 DBED C=CCOC[C@@H](NS(=O)(=O)c1c(C)nn(C)c1C)C(=O)O 573087684 PGFXUVYGZZNNRP-SNVBAGLBSA-N 317.367 -0.029 30 20 DBED Cc1nn(C)c(N2CCN(C(=O)N[C@H]3CCNC3)CC2)c1C#N 582133865 PYPLUEIJEPCHMR-LBPRGKRZSA-N 317.397 -0.206 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)Cn2nc3n(c2=O)CCCC3)C1 593749072 PDPGYFIFUGJAPX-CQSZACIVSA-N 305.338 -0.742 30 20 DBED CC(=O)NCCN[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1=O 593920001 DPNUFGPLHVOHCA-CYBMUJFWSA-N 300.318 -0.084 30 20 DBED CC(C)(C)n1nnc(CNC(=O)N2CC[C@](O)(CC#N)C2)n1 594260818 HGMZEHASANFLOZ-CYBMUJFWSA-N 307.358 -0.012 30 20 DBED CCN(CCC#N)S(=O)(=O)N[C@@H](CO)[C@@H]1CCCOC1 594784254 QWTFQWQFJZSOCC-NEPJUHHUSA-N 305.400 -0.156 30 20 DBED CN(CC(N)=O)C[C@H]1CN(C[C@H](O)CC(C)(C)C#N)CCO1 598621111 UTIOBIVQNBZZOM-OLZOCXBDSA-N 312.414 -0.595 30 20 DBED N#Cc1c(F)cccc1C(=O)NCCOCCS(N)(=O)=O 598734758 MNUHOCJPKSDVIC-UHFFFAOYSA-N 315.326 -0.268 30 20 DBED N#CCCN1CCN(C(=O)C(=O)N2CCC[C@@H](CO)C2)CC1 601416338 OQIRGEKRSRGUOZ-CYBMUJFWSA-N 308.382 -0.725 30 20 DBED CS(=O)(=O)N[C@@H]1CCCN(CC(=O)NC2(C#N)CCC2)C1 615224189 XFSVLKCCRZORJV-LLVKDONJSA-N 314.411 -0.438 30 20 DBED C=C[C@@](C)(O)C(=O)N(CC)CC(=O)N[C@@H]1CCS(=O)(=O)C1 665919419 KYOKFBSFEMADNQ-ZWNOBZJWSA-N 318.395 -0.925 30 20 DBED C=CCN(CC=C)C(=O)COC(=O)CN1CCC(=O)NC1=O 733560801 PVOCLVNZRYPBFB-UHFFFAOYSA-N 309.322 -0.328 30 20 DBED C=CCS(=O)(=O)CCNC(=O)NC[C@]1(OC)CCOC1 763682017 UPYQHSLNAPFDPU-GFCCVEGCSA-N 306.384 -0.308 30 20 DBED CS(=O)(=O)NCC(=NNS(C)(=O)=O)c1ccccc1 766713760 TXNDHFNPIZGMGH-UHFFFAOYSA-N 305.381 -0.511 30 20 DBED C#C[C@H](NC(=O)N1CCN(C(C)(C)C(N)=O)CC1)[C@@H]1CCCO1 776225611 QFMHKAOVUVJRQR-STQMWFEESA-N 322.409 -0.242 30 20 DBED C=CCS(=O)(=O)CCNC(=O)NCCNc1cnccn1 783015832 XSAWWODFRJCNEZ-UHFFFAOYSA-N 313.383 -0.212 30 20 DBED C#CCOCCNC(=O)N1CCN(CC(=O)N[C@@H](C)CC)CC1 784546041 UEDUTIADCDNXBS-AWEZNQCLSA-N 324.425 -0.122 30 20 DBED C#C[C@H](NC(=O)C(=O)NCc1c(C)nn(C)c1C)[C@H]1CCCO1 788355289 LHNHUJPPSUBNAJ-UONOGXRCSA-N 318.377 -0.050 30 20 DBED COC(=O)CNC(=O)CNC(=O)C#Cc1ccc2c(c1)OCO2 798255740 YECXCPQFXIKJHW-UHFFFAOYSA-N 318.285 -0.828 30 20 DBED C=CCN1CC[C@H](OC(=O)CCS(=O)(=O)N(C)C)C1=O 798648057 JTJYWWNFUBMKJE-JTQLQIEISA-N 304.368 -0.402 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@H]1CCN(C2CC2)C1)[C@H]1CCCO1 803179070 GGGYTTUNYFIADX-FPMFFAJLSA-N 305.378 -0.364 30 20 DBED NC[C@H]1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 832544845 QKRHFLMUVSRFKL-SNVBAGLBSA-N 322.390 -0.468 30 20 DBED C#CCOc1ccc(C(=O)NCC(=O)N2CCNCC2)cc1 863584760 IWRLMAKBXASFGX-UHFFFAOYSA-N 301.346 -0.140 30 20 DBED C#CCNC(=O)C1CCN(S(=O)(=O)CCCN(C)C)CC1 866676965 RXIFYDYTHDWAHU-UHFFFAOYSA-N 315.439 -0.271 30 20 DBED COCCn1cc(C=NN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C=C[C@H]3O2)cn1 872426130 YFOOELIZOKKVAU-FDYHWXHSSA-N 316.317 -0.198 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCO[C@H](COCC)C1)[C@@H]1CCCO1 875324691 MUFIKHUHKRGHCQ-IHRRRGAJSA-N 324.377 -0.453 30 20 DBED N#C[C@H]1CNC[C@@H]1NC(=O)c1ccc(CN2CCOCC2)o1 884250383 CYGBSZVMKBYZMK-AAEUAGOBSA-N 304.350 -0.047 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)NCC2CC2)CC1 891727968 HQKWXTWOHWQZNI-UHFFFAOYSA-N 300.384 -0.809 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H](C)[C@H]1CN(C)CCN1C 919991772 XWXLQFCJFUOYHZ-FRRDWIJNSA-N 317.459 -0.453 30 20 DBED CN(C(=O)c1nc[nH]n1)[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 937063407 SUTIIGHYVJMERH-SNVBAGLBSA-N 313.321 -0.009 30 20 DBED C=C[C@@](C)(CC)C(=O)N1CC[C@@H](NC(=O)Cn2ncnn2)C1 940610543 DKQFVKBDSOMWIB-RISCZKNCSA-N 306.370 -0.008 30 20 DBED NC(=O)c1cc(C(=O)NC[C@@H]2CCN2C(=O)C#CC2CC2)c[nH]1 950096686 ZGPBWZUVYYGDSY-LBPRGKRZSA-N 314.345 -0.142 30 20 DBED COc1cc(C(=O)NC[C@H]2CCN2C(=O)[C@@H](C)C#N)ncn1 950141666 CXZDCRZAZRKQGO-VHSXEESVSA-N 303.322 -0.024 30 20 DBED Cn1c(C(=O)N2CCN(CC#N)CC2)c2n(c1=O)CCCC2 950519099 TVHFOVJVFRLYKP-UHFFFAOYSA-N 303.366 -0.196 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]1CNC(=O)c1cnc2n1CCOC2 950776628 CMCLLSQZWXJYJO-WDEREUQCSA-N 317.349 -0.096 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]1CNC(=O)c1ccc(=O)n(C)c1 951005721 SHCQPGKRUNTMPA-ZYHUDNBSSA-N 302.334 -0.124 30 20 DBED C#Cc1ccc(C(=O)N(C)C2CCN(C(=O)C(N)=O)CC2)cn1 954119703 DNUDPPCFOYACLS-UHFFFAOYSA-N 314.345 -0.389 30 20 DBED COCC(=O)N1CC[C@@H](N2CCN(C(=O)[C@H](C)C#N)CC2)C1 956605563 LDVNPTFVONLOMH-CHWSQXEVSA-N 308.382 -0.462 30 20 DBED C=CCN1CC(N(CC)C(=O)c2cn(CC(=O)N(C)C)nn2)C1 957425864 IHFRYSIMINFHRJ-UHFFFAOYSA-N 320.397 -0.301 30 20 DBED C=CCN1C[C@@H](O)[C@H](CNC(=O)c2cnn3cccnc23)C1 958309394 LAODFJPYUOYMFW-DGCLKSJQSA-N 301.350 -0.062 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2c(C)c(C)nn(C)c2=O)C1 958309633 OPAAOEQBGQOMTF-CHWSQXEVSA-N 318.377 -0.947 30 20 DBED CC[C@@H](C(N)=O)N1C[C@H]2[C@H](NC(=O)c3ccc(C#N)[nH]3)[C@H]2C1 958590067 KJNNJTUCRLISAU-JULQROHOSA-N 301.350 -0.190 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1[C@H]2CN(Cc3ncnn3C)C[C@H]12 961815915 OUVUYWRXUOVMTE-VOAKCMCISA-N 317.393 -0.047 30 20 DBED CN1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 961927183 FWDJTERBZWAHLD-MCIONIFRSA-N 305.378 -0.818 30 20 DBED COCC(=O)N1CCOC2(C1)CN(C(=O)c1c[nH]c(C#N)c1)C2 965268694 CFPLUWDJFABJOU-UHFFFAOYSA-N 318.333 -0.414 30 20 DBED Cc1noc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)c1C 967704343 VASRSWFZIDYMBF-ONOSFVFSSA-N 306.322 -0.247 30 20 DBED C#CCN1CC[C@@H](C)[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)C1 968596592 KGTZCJKCRBZQSK-YPMHNXCESA-N 305.382 -0.650 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@H]1CCNC1=O 969164494 UHJOINXGUXFQIF-LPWJVIDDSA-N 318.377 -0.126 30 20 DBED C[C@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1O 969761163 ZCMQEDDDMIFYFH-KNDHEWATSA-N 302.334 -0.156 30 20 DBED C[C@@H](NC(=O)[C@@H]1CCc2nnnn2CC1)C1CN(CC#N)C1 970456608 FUTSMQXOVGXKLC-GHMZBOCLSA-N 303.370 -0.414 30 20 DBED C#CCN1CC([C@@H](C)NC(=O)c2cn(C[C@H]3CCOC3)nn2)C1 970662788 MMDDJAMZOZOLOJ-CHWSQXEVSA-N 317.393 -0.002 30 20 DBED CC[C@@H]1[C@@H](NC(=O)Cn2cncn2)CCN1C(=O)[C@H](C)C#N 985525534 UNHKENTWOXWBBC-GRYCIOLGSA-N 304.354 -0.067 30 20 DBED C#CCN[C@@H]1C[C@@H](C)N(C(=O)CN2C(=O)NC(C)(C)C2=O)C1 989751274 DGXAMBYLKOUAGV-GHMZBOCLSA-N 306.366 -0.471 30 20 DBED O=C(N[C@@H]1CCN(C(=O)C#CC2CC2)C[C@H]1O)c1cn[nH]c1 991304501 YWBFYGNCSUZABC-CHWSQXEVSA-N 302.334 -0.485 30 20 DBED C#CCN1CC[C@H](n2cc(CNC(=O)[C@H]3COCCO3)nn2)C1 999957669 WRYCXIBNVFZMCL-UONOGXRCSA-N 319.365 -0.810 30 20 DBED N#Cc1cc(C(=O)NCC2CN(C(=O)[C@H]3CCNC3=O)C2)c[nH]1 1001502621 MZJUIGCKWGRVFD-LBPRGKRZSA-N 315.333 -0.789 30 20 DBED C#CCN1CCC(NC(=O)CN2C(=O)NC(C)(C)C2=O)CC1 1004094379 MKTCVWJWACXTFN-UHFFFAOYSA-N 306.366 -0.469 30 20 DBED C[C@H](NC(=O)c1cc(C#N)c[nH]1)C1CN(C(=O)c2nc[nH]n2)C1 1005863052 QQVZFBIZTXNTEX-QMMMGPOBSA-N 313.321 -0.105 30 20 DBED C=C(C)CN1CCC[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C1 1009567011 WKEGEFPSZGLOAM-NWDGAFQWSA-N 301.412 -0.165 30 20 DBED C[C@H](C#N)C(=O)N1CCCC2(C1)CN(C(=O)[C@H]1CCC(=O)N1)C2 1010584197 NBDCOARZDCFJHS-VXGBXAGGSA-N 318.377 -0.124 30 20 DBED O=C1C[C@@H](C(=O)N2CCN(C(=O)C#CC3CC3)CC2)CCN1 1010987405 URFAGYUHJUCBSY-ZDUSSCGKSA-N 303.362 -0.403 30 20 DBED O=C(C[C@H]1CCC(=O)N1)NC1[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]12 1013398997 PLMVCPLVNVSTLZ-JHJVBQTASA-N 315.373 -0.359 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCN([C@@H](C)C(=O)N(C)C)C2)nn1 1015810966 WEDFFOBMBRRLHI-NWDGAFQWSA-N 320.397 -0.255 30 20 DBED C=C(Cl)CN1CC[C@@H](NC(=O)[C@H]2CCN(C)S2(=O)=O)C1 1015825518 LKTUMBKVTLINMO-GHMZBOCLSA-N 321.830 -0.037 30 20 DBED C#CCN1CCCC[C@H]1CNC(=O)c1nccnc1C(N)=O 1024791417 ZFURQXHQRWMWHQ-NSHDSACASA-N 301.350 -0.207 30 20 DBED Cc1ccoc1CC(=O)N[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1O 1025526154 JWONIVHMCIVQHN-IJLUTSLNSA-N 305.334 -0.022 30 20 DBED N#CCN1CC[C@@H](CNC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 1028536200 NZVOLYRBFJQVKL-NWDGAFQWSA-N 316.365 -0.276 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN(Cc2nonc2C)C1 1030461960 DYFLDUOSGLEUBA-AWEZNQCLSA-N 303.366 -0.224 30 20 DBED CC#CCN1CC(CNC(=O)[C@H]2CCc3nnnn3CC2)C1 1031992604 HLFSEYWPVIHYCH-ZDUSSCGKSA-N 302.382 -0.303 30 20 DBED C#CCCN1CC(CNC(=O)[C@H]2CCc3nnnn3CC2)C1 1031993147 YJRHFWWKORUPRK-ZDUSSCGKSA-N 302.382 -0.303 30 20 DBED C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)CC[C@H]1NC(=O)NC1=O 1032772529 SPNZIUSTCPHELC-SDDRHHMPSA-N 304.350 -0.717 30 20 DBED N#CCN1CCO[C@H](CNC(=O)[C@@H]2CCc3nccn3C2)C1 1035421018 SUAHAHBIOYBWBS-CHWSQXEVSA-N 303.366 -0.214 30 20 DBED C#CCCN1CCO[C@@H](CNC(=O)c2coc(C(N)=O)c2)C1 1035454257 JYFXLFDYOZBEGG-LBPRGKRZSA-N 305.334 -0.168 30 20 DBED C#CCN1CCO[C@H](CNC(=O)c2ccn3nnnc3c2)C1 1035473975 YUPRZNUBCFNGEF-GFCCVEGCSA-N 300.322 -0.812 30 20 DBED C=C(C)CN1CCO[C@H](CNC(=O)[C@@H]2CCCS2(=O)=O)C1 1035611306 RRYGRZUNOVTSLT-OLZOCXBDSA-N 316.423 -0.043 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)CN3CCC(=O)NC3=O)CC[C@@H]21 1036865864 URUIYFMTKAUDJI-OLZOCXBDSA-N 318.377 -0.516 30 20 DBED C=CCN1CC[C@@H]2CN(C(=O)Cn3c(O)nnc3O)CC[C@H]21 1036879395 MUKYJYLRQVPCEH-GHMZBOCLSA-N 307.354 -0.202 30 20 DBED C#CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)C1CC2(C1)CS(=O)(=O)C2 1037460756 JIOITERULCCZMG-WXHSDQCUSA-N 308.403 -0.367 30 20 DBED CCn1nncc1C(=O)NC[C@@]1(O)CCN(C(=O)[C@H](C)C#N)C1 1039642861 NFAUVPMFWCYBTR-YGRLFVJLSA-N 320.353 -0.849 30 20 DBED N#Cc1nccnc1N1C[C@@H](O)[C@H](NC(=O)c2ccon2)C1 1040942483 ADGNHOVDGMXFKM-GHMZBOCLSA-N 300.278 -0.684 30 20 DBED C#CCN1CC[C@H]2CCN(C(=O)c3nccnc3C(N)=O)C[C@@H]21 1042350263 XLMHQKDJTYCOSZ-RYUDHWBXSA-N 313.361 -0.255 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)[C@@H](C)n2cncn2)C1 1042648270 PKGXNFBLGXBTMP-LLVKDONJSA-N 321.381 -0.259 30 20 DBED C=C[C@@H](C)[C@@H](C)C(=O)N1CC(O)(CNC(=O)Cn2nccn2)C1 1043214051 WPXQITHAUGHENB-VXGBXAGGSA-N 321.381 -0.574 30 20 DBED C#CCCN1CC(N(C)C(=O)c2ccc(-n3cnnn3)cn2)C1 1043463367 WZHFUIVWHBHYRW-UHFFFAOYSA-N 311.349 -0.163 30 20 DBED C=CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)c2cccnn2)C1 1043570389 HRQXLAPCOGWBBC-LLVKDONJSA-N 320.349 -0.629 30 20 DBED N#Cc1cnccc1N1C[C@H](O)[C@H](NC(=O)c2cnsn2)C1 1043864738 XGFRLHXBIOOAQR-PWSUYJOCSA-N 316.346 -0.216 30 20 DBED C=C[C@H](CC)CC(=O)NCC1(O)CN(C(=O)Cn2cncn2)C1 1045069359 UCLJEAMVSJHICL-GFCCVEGCSA-N 321.381 -0.430 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)CCc2nccn2C)C1 1045546027 GVLSBKHUUWFLAE-NSHDSACASA-N 319.365 -0.798 30 20 DBED CCCc1n[nH]cc1C(=O)N1CC(O)(CNC(=O)[C@H](C)C#N)C1 1045565478 YENNNBOLYGULKK-SNVBAGLBSA-N 319.365 -0.175 30 20 DBED C=C[C@](C)(CC)C(=O)NCC1(O)CN(C(=O)[C@@H]2CCC(=O)N2)C1 1045778520 ZMCLBEBNWHGNOS-XHDPSFHLSA-N 323.393 -0.443 30 20 DBED N#CCN1[C@H]2CC[C@H]1CN(C(=O)[C@@H]1CC(=O)NC(=O)N1)CC2 1045856279 FXIPKFRAOSVLAD-DCAQKATOSA-N 305.338 -0.827 30 20 DBED C=CCn1cc(C(=O)N[C@@]2(C)CCN(CC(=O)N(C)C)C2)nn1 1046681877 UQSPWCGQLCAHCW-HNNXBMFYSA-N 320.397 -0.254 30 20 DBED C#CCCN1CC[C@@](C)(NC(=O)C2CC3(C2)NC(=O)NC3=O)C1 1046697291 FQNYIBFMGILLMC-YWCUFVOSSA-N 318.377 -0.422 30 20 DBED C#CCN1C[C@H]2C[C@@H](NC(=O)c3cn(C)c(=O)cn3)C[C@H]1C2 1047116560 ORBBXMBZYOZTHD-YNEHKIRRSA-N 300.362 -0.004 30 20 DBED C#Cc1ccc(C(=O)N(C)[C@H]2CN(C[C@@H](C)O)C[C@@H]2O)cn1 1047599121 IMMXJXTVYJTKBF-UGFHNGPFSA-N 303.362 -0.439 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCC(=O)N2)C1 1048995856 KKIDKMUUIHEEFE-AGIUHOORSA-N 323.393 -0.349 30 20 DBED Cn1cc(C(=O)N2CCC[C@@H]3[C@@H]2CCN3CC#N)ncc1=O 1049605580 PLTYLCONDQXDNC-OLZOCXBDSA-N 301.350 -0.017 30 20 DBED CC#CCN1C[C@@H]2CCCN(C(=O)C[C@@H]3CC(=O)NC3=O)[C@@H]2C1 1050220053 IVIWCYUUOOJNCD-MELADBBJSA-N 317.389 -0.015 30 20 DBED CC#CCN1CCOC[C@H]1CNC(=O)c1nc2ncccn2n1 1051169974 HJMZDONJBADCRN-GFCCVEGCSA-N 314.349 -0.422 30 20 DBED N#CCN1CCN([C@@H]2CCN(C(=O)C[C@@H]3CCNC3=O)C2)CC1 1052036535 OKQPERWFDPJSAH-UONOGXRCSA-N 319.409 -0.745 30 20 DBED Cn1nnc(C(=O)NCC2CC(Nc3nccnc3C#N)C2)n1 1052054646 XZHYYSQCZPRMFC-UHFFFAOYSA-N 313.325 -0.508 30 20 DBED C[C@H](C#N)C(=O)N1CCOC2(CN(CCN3CCNC3=O)C2)C1 1053191689 SVIOQNKKPWJVIR-GFCCVEGCSA-N 321.381 -0.916 30 20 DBED C#CCN1CC2(CC[C@H](CNC(=O)[C@H]3CC[C@@H](C(N)=O)C3)O2)C1 1053663680 YJQSYECDSYOKPT-HZSPNIEDSA-N 319.405 -0.129 30 20 DBED C[C@H](C(N)=O)N1CC2(C[C@H](NC(=O)c3ccc(C#N)[nH]3)CO2)C1 1053774288 WWZFPASEUOJPPH-KOLCDFICSA-N 317.349 -0.667 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)c3cccn4nnnc34)CO2)C1 1053814024 GAVHBWPZZQVFLJ-JTQLQIEISA-N 313.321 -0.779 30 20 DBED C=CCN1CC2(C[C@H](NC(=O)[C@H]3CCc4nncn4C3)CO2)C1 1054016817 KYTADLLWULRERF-STQMWFEESA-N 317.393 -0.014 30 20 DBED C[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1NCc1nc(=O)n(C)[nH]1 1054640224 XUQPGUWWVUSALC-JQWIXIFHSA-N 303.366 -0.542 30 20 DBED Cn1nccc1CC(=O)N1CCN(c2ccnc(C#N)n2)CC1 1055790063 ZIHDQQUOQGBTPI-UHFFFAOYSA-N 311.349 -0.027 30 20 DBED CC#CCCCC(=O)N1CCC[C@](CO)(NC(=O)CC(N)=O)C1 1055848454 ILEMYNKVALYYPX-INIZCTEOSA-N 323.393 -0.475 30 20 DBED C=CCCC(=O)N1CCC[C@@](CO)(NC(=O)[C@H]2C[C@H]2C(N)=O)C1 1056128402 PDUUVNWBPCFJBG-BFQNTYOBSA-N 323.393 -0.456 30 20 DBED Cc1ccc(C#N)c(N2C[C@H]3C(NC(=O)Cn4cnnn4)[C@@H]3C2)n1 1056128807 NVRMZVIBBIHXGN-VXGBXAGGSA-N 324.348 -0.501 30 20 DBED Cc1nnsc1C(=O)N(CCO)CCNC(=O)C#CC1CC1 1056939152 QWBDICDBCAHNHY-UHFFFAOYSA-N 322.390 -0.189 30 20 DBED C=CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)c1cncnc1 1057408038 QXNHGWSIWTUTOE-LBPRGKRZSA-N 322.365 -0.382 30 20 DBED C#CCCCCC(=O)NCCN(CCO)C(=O)Cn1nccn1 1057698569 GBLQBJBRFVBWGG-UHFFFAOYSA-N 321.381 -0.591 30 20 DBED N#Cc1cccnc1N1CCC[C@@H]1CNC(=O)[C@H]1CNC(=O)N1 1061440094 BCAKSANRGDVDPZ-VXGBXAGGSA-N 314.349 -0.280 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)CCc1cnc[nH]1 1061663577 OUMCWHHHCMTCHC-AAEUAGOBSA-N 319.365 -0.154 30 20 DBED C=C[C@@](C)(CC)C(=O)NC[C@H]1COCCN1C(=O)CC(N)=O 1061866859 AYKLYZBCABJZAY-NHYWBVRUSA-N 311.382 -0.192 30 20 DBED Cc1nsc(N2C[C@@H]3C[C@H]2CN3C(=O)CC(N)=O)c1C#N 1062462799 ONMSCLXQFMGNKY-IUCAKERBSA-N 305.363 -0.012 30 20 DBED CCn1nncc1C(=O)N[C@@H]1[C@H]2C[C@H]1N(c1nccnc1C#N)C2 1064246782 USERZRUIGXCILR-UFGOTCBOSA-N 324.348 -0.033 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CN(C(=O)Cn2cccn2)CCO1 1064855315 QNJFCWZSIJHXNK-NEPJUHHUSA-N 305.338 -0.614 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)CC(=O)NCC)CCO1 1065067930 TUUQLYDYAYXXAF-LBPRGKRZSA-N 311.382 -0.178 30 20 DBED C=CC(C)(C)C(=O)N1CCO[C@H](CNC(=O)CC(=O)NC)C1 1065419293 ACHWFDSWWUILOO-LLVKDONJSA-N 311.382 -0.322 30 20 DBED C=CCC1(C(=O)N2CCO[C@H](CNC(=O)CC(N)=O)C2)CCC1 1065581230 BVHQKUQBDSULFM-GFCCVEGCSA-N 323.393 -0.048 30 20 DBED N#Cc1ccc(NCC2CC(NC(=O)[C@H]3C[C@H]3C(N)=O)C2)nn1 1067886643 VYDKEOCQCKEZFB-PPUYLDTBSA-N 314.349 -0.224 30 20 DBED CC#CCCCC(=O)NC[C@@H]1CCC2(CN(C(=O)C(N)=O)C2)O1 1068608588 IZIUWSDEQLTFMA-LBPRGKRZSA-N 321.377 -0.459 30 20 DBED C=C(C)C(C)(C)C(=O)N1CC2(CC[C@@H](CNC(=O)C(N)=O)O2)C1 1068618421 QQLSDMWCUJBAKC-NSHDSACASA-N 323.393 -0.050 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CCCN(C(=O)CNC(C)=O)C1 1070371609 YVDBKNVSLFQJPC-WCQYABFASA-N 309.366 -0.732 30 20 DBED Cn1cncc1[C@@H]1CN(C(=O)c2cccnn2)C[C@H]1NCC#N 1070704712 HJKCONQQSOFWLG-DGCLKSJQSA-N 311.349 -0.069 30 20 DBED Cn1cc(CC(=O)N2CCC(=O)NCCN(CC#N)CC2)cn1 1070944562 CPFWBPBNEWQQFP-UHFFFAOYSA-N 318.381 -0.863 30 20 DBED C#CCN[C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2COC(=O)N2)CC1 1071053219 ITRVWNJKUZKNKQ-RDBSUJKOSA-N 321.377 -0.286 30 20 DBED C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1NC(=O)C1(C(N)=O)CC1 1071662979 ZAYDMFIMMZMDMY-NXEZZACHSA-N 324.406 -0.528 30 20 DBED C=CCOCC(=O)N1C[C@H](C)[C@@H](NC(=O)CCn2cnnn2)C1 1071808209 FUJCGXUKHPPVKQ-RYUDHWBXSA-N 322.369 -0.771 30 20 DBED C[C@@H]1CC[C@@H](NC(=O)CN2CCC(=O)NC2=O)CN1CC#N 1071968099 RIBJGZHUMOLSCQ-GHMZBOCLSA-N 307.354 -0.579 30 20 DBED CC(=O)N1CC(C(=O)N2C[C@H](C)[C@@H](NC(=O)C#CC3CC3)C2)C1 1071977834 GBMMSUDHGUNIAZ-NHYWBVRUSA-N 317.389 -0.159 30 20 DBED CNC(=O)NCCC(=O)N1C[C@H](C)[C@H](NC(=O)C#CC(C)C)C1 1072022409 ZTXPOUNGNJXZEB-QWHCGFSZSA-N 322.409 -0.072 30 20 DBED C#CCOCCC(=O)N1C[C@@H](NC(=O)Cn2ccnc2)[C@H](C)C1 1072094608 UXWVCGYBIBGRAP-ZIAGYGMSSA-N 318.377 -0.114 30 20 DBED C#CCOCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)Cn2cncn2)C1 1072097332 LUEOKBWOCIJUBY-OLZOCXBDSA-N 319.365 -0.719 30 20 DBED CC(C)C#CC(=O)N[C@H]1CN(C(=O)Cc2nc[nH]n2)C[C@@H]1C 1072779080 ZAIVSVKPRJRFQO-RYUDHWBXSA-N 303.366 -0.030 30 20 DBED C#CCN1CCC2(C1)CN(C(=O)CCN1C(=O)CCC1=O)C2 1072902866 FGXUGGKWHSZCML-UHFFFAOYSA-N 303.362 -0.307 30 20 DBED C[C@H](C#N)C(=O)NC1(C)CCN(C(=O)[C@@H]2COC(=O)N2)CC1 1072993564 JPUOGSSORSXMHD-ZJUUUORDSA-N 308.338 -0.248 30 20 DBED CCOCCC(=O)N1CC(N2CCN(C(=O)[C@@H](C)C#N)CC2)C1 1073597284 UZXUHYPYJQZPFE-ZDUSSCGKSA-N 322.409 -0.072 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)CCc3nc[nH]n3)C[C@@H]21 1074212794 WEBNQMBAJILWTL-STQMWFEESA-N 303.366 -0.328 30 20 DBED C=CCCC(=O)N1CCC(O)(CNC(=O)[C@H]2CNC(=O)N2)CC1 1074511438 IQOMFJHZYGRBNJ-LLVKDONJSA-N 324.381 -0.896 30 20 DBED COCCN1C[C@H](C(=O)N2CC[C@H]3CN(CC#N)C[C@H]32)CC1=O 1075855579 KQJRYMLGRFEKQW-BFHYXJOUSA-N 320.393 -0.462 30 20 DBED C[C@@H](CCNC(=O)[C@@H]1CCNC(=O)C1)NC(=O)C#CC1CC1 1076136725 JDWURCGMRCXULF-WCQYABFASA-N 305.378 -0.063 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H]3CN(CC(=O)NC)C[C@H]32)nn1 1076334687 DMLRGLIZVOKHRE-WCQYABFASA-N 318.381 -0.644 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC(=O)N(C(C)C)C2)C1 1077084019 MBNCEQUWWFZAAQ-BFHYXJOUSA-N 307.394 -0.572 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)c1nonc1C 1077192532 JKMKRBLQIQZJAJ-VIFPVBQESA-N 321.337 -0.858 30 20 DBED Cc1nc2c(C(=O)N[C@@H]3CN(CC#N)C[C@H]3O)ccnc2[nH]1 1077425007 VMZGIPXTCOLIHQ-GHMZBOCLSA-N 300.322 -0.435 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)c2c[nH]nc2[C@H]2CCOC2)C1 1077457624 WDLUBEKQAJGUNC-IACUBPJLSA-N 318.377 -0.288 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3nnn(C)c3C2)C1 1077576335 KAWHVZYSLLBQCA-UXIGCNINSA-N 319.409 -0.343 30 20 DBED Cc1nc(N(C)C)sc1C(=O)N[C@@H]1CN(CC#N)C[C@H]1O 1077787882 YBIWTGNQXFRJHY-NXEZZACHSA-N 309.395 -0.184 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CO)(NC(=O)c2nc[nH]n2)CC1 1080941790 UGKWOGJNEIXYAT-VIFPVBQESA-N 306.326 -0.952 30 20 DBED COCCC(=O)NC[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1O 1081149638 LASLYWXIMQZPBY-MFKMUULPSA-N 320.349 -0.528 30 20 DBED N#CCSCC(=O)NC[C@H]1CN(C(=O)c2cn[nH]c2)C[C@H]1O 1081286890 QNCWFDHDDBNNAN-WDEREUQCSA-N 323.378 -0.784 30 20 DBED CNC(=O)[C@H](C)N1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@H](OC)C1 1081507431 VQFIJFDHXMEZTH-ZWKOPEQDSA-N 319.365 -0.550 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)Cc2cnc[nH]2)C1 1081800655 SWXFLSMEMXWFOT-GXTWGEPZSA-N 318.377 -0.453 30 20 DBED CC#CCN1C[C@@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)[C@H](OC)C1 1081847949 CEVGJIRIDRDQCR-KBUPBQIOSA-N 309.410 -0.456 30 20 DBED C=CCCO[C@@H](C)C(=O)N1CCCC[C@H]1CNC(=O)C(N)=O 1081938323 RLLDVTSUYMPHMG-RYUDHWBXSA-N 311.382 -0.050 30 20 DBED C#CCCN1C[C@@H](NC(=O)[C@@]2(C)CCC(=O)NC2)[C@H](OC)C1 1082050899 AEKBKCPANXYZPX-IOASZLSFSA-N 307.394 -0.259 30 20 DBED C=C(C)CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)Cn1cnnc1O 1083056776 BQIKHOSBKWBPIY-QWHCGFSZSA-N 321.381 -0.139 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H](C)N1CCOCC1 1083293579 LTKDVDINIWRCKB-HRCADAONSA-N 321.421 -0.358 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2cc(-n3cccn3)ccn2)C1 1083770392 GWUMHDHHJRINMF-CABCVRRESA-N 311.345 -0.325 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)c2cccc(C(=O)NC)n2)C1 1084008513 JOULVQVFEXPOAA-KGLIPLIRSA-N 316.361 -0.761 30 20 DBED N#CCN1CC[C@H](NC(=O)c2cn3c(n2)CCCC3)[C@H](O)C1 1090308844 YJXGDSLENHZVLX-WCQYABFASA-N 303.366 -0.092 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cnc3nccnc3c2)[C@H](O)C1 1090331976 PJYKSSYTHBATGT-GXTWGEPZSA-N 311.345 -0.177 30 20 DBED CC(C)(C)n1cnc(C(=O)N[C@@H]2CCN(CC#N)C[C@H]2O)n1 1090568291 DUPCXYJJROADEC-GHMZBOCLSA-N 306.370 -0.278 30 20 DBED C=CCCN1CC[C@@H](NC(=O)CN2CCC(=O)NC2=O)[C@@H](O)C1 1090710439 VCDHJKOEYCFSRV-NEPJUHHUSA-N 324.381 -0.944 30 20 DBED C=CCN1CC[C@@H](NC(=O)C2CCN(C(N)=O)CC2)[C@H](O)C1 1090797250 WHIDLAIUPPVHEF-CHWSQXEVSA-N 310.398 -0.486 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2ccc(C(N)=O)nc2)[C@H](O)C1 1090852226 OQJPAQVVOABSTH-TZMCWYRMSA-N 316.361 -0.631 30 20 DBED CO[C@H](C)C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1OC 1090864118 GERDOVKUCDEYSA-YUSALJHKSA-N 305.338 -0.297 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(c2ncc(F)cn2)C[C@H]1O 1092154113 ROIBEBSARKXZNO-NWDGAFQWSA-N 310.329 -0.126 30 20 DBED C#CCN1C[C@@H]2CN(C(=O)c3cn(C)c(=O)n3C)C[C@]2(C)C1 1092307933 AANFFXGTPMGVQU-WBMJQRKESA-N 302.378 -0.249 30 20 DBED N#CCN1CC(N2C[C@H](NC(=O)[C@]3(F)CCOC3)CC2=O)C1 1094778450 NGICCLKCRQEDOU-YGRLFVJLSA-N 310.329 -0.960 30 20 DBED N#Cc1nc(=N[C@H]2C[C@@H](NC(=O)CCn3cncn3)C2)cc[nH]1 1097148644 BZYJDKXCOLAXPK-PHIMTYICSA-N 312.337 -0.489 30 20 DBED N#Cc1cnc(NC[C@@H]2CCCN(C(=O)CNC(N)=O)C2)cn1 1097355859 YMDUJCPGAWHKGB-JTQLQIEISA-N 317.353 -0.333 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@@H]2COC(=O)N2)C[C@H]1C(F)(F)F 1099244657 MPIADLZWNPQOBX-HLTSFMKQSA-N 305.256 -0.293 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H]2CC[C@H]1[C@H]1CN(CCO)C[C@@H]21 1099468237 LCYVMXDNSWMQLA-QPSCCSFWSA-N 319.405 -0.713 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)Cc2cnn(C)c2)[C@H](O)C1 1099713410 WEPYESGHFNDAOX-LSDHHAIUSA-N 322.409 -0.283 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2cc(OC)no2)[C@@H](O)C1 1099782956 JBBDUJRMDOCCCF-RYUDHWBXSA-N 323.349 -0.502 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CCN(CCN2CCCC2=O)C[C@@H]1O 1099827324 VRECKVVZYUSBNS-CABCVRRESA-N 319.405 -0.426 30 20 DBED C#CCN1CC[C@H](NC(=O)CCn2ccccc2=O)[C@@H](O)C1 1099858870 SLFXETACCRONPO-KBPBESRZSA-N 303.362 -0.577 30 20 DBED CC#CCCCC(=O)N[C@@H]1CCN(CC(=O)N(C)C)C[C@H]1O 1099962481 PCFOLEJKOXKLPZ-ZIAGYGMSSA-N 309.410 -0.180 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)c2c[nH]c(=O)cn2)[C@H](O)C1 1099966832 DBEGUXFNINNUEL-DGCLKSJQSA-N 322.365 -0.863 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)Cn2ccc(C)n2)[C@@H](O)C1 1100005859 JAAHDKMSSFBMLE-CABCVRRESA-N 322.409 -0.054 30 20 DBED CCNC(=O)NC(C)(C)C(=O)N[C@@H]1CCN(CC#N)C[C@H]1O 1100025798 ZJNPNKPOQJOLGC-GHMZBOCLSA-N 311.386 -0.841 30 20 DBED C#CCN1CC[C@@H](NC(=O)C2(NC(C)=O)CCCC2)[C@H](O)C1 1100031343 DDVSPBTWSOARBR-ZIAGYGMSSA-N 307.394 -0.380 30 20 DBED CN(CCNC(=O)[C@@H]1CCCCC(=O)N1)c1cnc(C#N)cn1 1100319773 BQFCRXUAZKGBSC-LBPRGKRZSA-N 316.365 -0.041 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1CC(NCc2nncn2C)C1 1100322385 HWDHZHBEFMAEIW-HIFPTAJRSA-N 305.382 -0.162 30 20 DBED CCN(CC)S(=O)(=O)CC(=O)NCC1CC(NCC#N)C1 1100722448 KGEULFMANDWPPY-UHFFFAOYSA-N 316.427 -0.334 30 20 DBED CCN1CCO[C@H](C(=O)N(C)CCNc2cncc(C#N)n2)C1 1101637901 GPCGPDKJBJIKSV-ZDUSSCGKSA-N 318.381 -0.061 30 20 DBED CN(CCNc1cnc(C#N)cn1)C(=O)[C@@H]1CCCN1C(N)=O 1101673888 JJXTYOLDBINXDN-NSHDSACASA-N 317.353 -0.238 30 20 DBED C[C@H](C(=O)N(C)CCNc1nccnc1C#N)S(C)(=O)=O 1102032293 AKHAIUOJESUYMO-SECBINFHSA-N 311.367 -0.348 30 20 DBED C#CCNC(=O)CC(=O)N(C)[C@@H]1CCN(c2cc(F)ncn2)C1 1102693996 SDXYSHPGYXEQPP-LLVKDONJSA-N 319.340 -0.208 30 20 DBED C[C@H](CNC(=O)[C@@H]1COCCN1C)CNc1cnc(C#N)cn1 1103922591 GJNKIYQJGBFCHA-AAEUAGOBSA-N 318.381 -0.157 30 20 DBED CNS(=O)(=O)CCC(=O)N1C[C@@H](C)[C@H](CCNCC#N)C1 1104187211 PXSMQIXWZMZEAY-VXGBXAGGSA-N 316.427 -0.477 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H]1CN(c2cnc(F)cn2)CCO1 1104330702 VEWHPGPJGCHHTC-RYUDHWBXSA-N 322.340 -0.025 30 20 DBED C#CCNCc1cn(C2CN(C(=O)CN3CCC[C@H]3C)C2)nn1 1105326734 DKMARHMGBZRQQY-CYBMUJFWSA-N 316.409 -0.132 30 20 DBED CN(CCN(C)c1cnc(C#N)cn1)C(=O)[C@@]1(C)CCNC1=O 1105557603 VABNCBIIYKKVRY-HNNXBMFYSA-N 316.365 -0.231 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)Cc2cncs2)nn1 1105993705 RGXPCMOJKYTNCF-SNVBAGLBSA-N 318.362 -0.064 30 20 DBED CN(C)C1(C(=O)NC[C@@H](O)CN=c2cc[nH]cc2C#N)CCC1 1106004139 MPYSYVOEGNNYGM-ZDUSSCGKSA-N 317.393 -0.252 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@H](O)CNc1nccnc1F 1106155044 SMMKFQONSYGCGQ-RYUDHWBXSA-N 321.356 -0.398 30 20 DBED C[C@@H](CCNc1cnc(C#N)cn1)NC(=O)C1CS(=O)(=O)C1 1106458448 DKRLLYGVELIWEB-VIFPVBQESA-N 323.378 -0.300 30 20 DBED CNC(=O)NCC(=O)N[C@H](C)CCNc1nc(C)cc(C#N)n1 1106616380 YGVWPPJSWNDGLE-SECBINFHSA-N 319.369 -0.108 30 20 DBED C=CCNC[C@@H]1CN(C(=O)[C@@H](CCC(N)=O)NC(C)=O)C[C@H]1C 1106770259 ZJUIWKIOZNAIIK-MRVWCRGKSA-N 324.425 -0.373 30 20 DBED C[C@H](CNc1nccnc1C#N)NC(=O)CNC(=O)C1CC1 1107658347 QERNRQCDQPJDTN-SECBINFHSA-N 302.338 -0.209 30 20 DBED C#CCCCCC(=O)N[C@H]1CC(=O)N(C2CN(C[C@@H](C)O)C2)C1 1108538039 ZNLXYMJZRWCEHM-KGLIPLIRSA-N 321.421 -0.038 30 20 DBED C[C@H](CN(C)c1ccc(C#N)nn1)NC(=O)CCn1cncn1 1108826347 XADFAPZTLMVRKN-LLVKDONJSA-N 314.353 -0.029 30 20 DBED CN(C)C(=O)CC(=O)N[C@@H]1[C@H]2C[C@H]1N(c1nccnc1C#N)C2 1109743665 YMCLYSAUHNDPEJ-DRCTWCGVSA-N 314.349 -0.480 30 20 DBED CS(=O)(=O)CC(=O)N[C@H](CNc1nccnc1C#N)C1CC1 1109769344 YPKAFMNHMBBQEX-LLVKDONJSA-N 323.378 -0.300 30 20 DBED CO[C@H](C)C(=O)N(C)[C@H]1CN(c2nccnc2C#N)C[C@@H]1O 1111170862 GVOCFKLXBUSXFK-USWWRNFRSA-N 305.338 -0.609 30 20 DBED CO[C@@H](C)C(=O)N(C)[C@H]1CN(c2ccc(C#N)nc2)C[C@@H]1O 1111171323 YNZKKFRNHZMBGT-BPNCWPANSA-N 304.350 -0.004 30 20 DBED N#Cc1cncc(NCCN(CCO)C(=O)Cc2cnoc2)n1 1111542676 JLFGUWYGLUJENQ-UHFFFAOYSA-N 316.321 -0.188 30 20 DBED N#Cc1cnc(NCCN(CCO)C(=O)[C@@]23COC[C@@H]2C3)cn1 1111577442 CMISPWZHYXREND-NHYWBVRUSA-N 317.349 -0.382 30 20 DBED Cn1cnn(CCC(=O)N[C@]23CCC[C@H]2CN(CC#N)C3)c1=O 1111819922 CMQJLDPFABWMNT-WFASDCNBSA-N 318.381 -0.534 30 20 DBED CC(=O)NCC(=O)NC1CC(CNc2nccnc2C#N)C1 1112812807 WVAOJTJSXYMPKH-UHFFFAOYSA-N 302.338 -0.209 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)[C@H]2OCCO[C@H]2C)CC1 1112978648 PPHJZSUHTDIMFI-IHRRRGAJSA-N 323.393 -0.928 30 20 DBED C[C@H](CNC(=O)[C@H]1CN(C)C(=O)N1)N(C)c1cncc(C#N)n1 1113802716 SMVFGWWJVMHIGJ-MWLCHTKSSA-N 317.353 -0.687 30 20 DBED N#Cc1cccc(CN2C[C@@H]3C(NC(=O)CNC(N)=O)[C@H]3C2)c1 1113849107 HOMBASMRYSGSDU-STQMWFEESA-N 313.361 -0.227 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1[C@@H]2CN(CCOCCO)C[C@@H]12 1114420624 IKEIATBAMNHZMA-KFWWJZLASA-N 321.421 -0.861 30 20 DBED C#CCN1C[C@@H]2C(NC(=O)CNC(=O)c3cscn3)[C@H]2C1 1115083728 QGGDLOYASDMTNR-UWVGGRQHSA-N 304.375 -0.448 30 20 DBED C[C@@H](CN(C)C(=O)[C@@H]1COCCN1C)Nc1cnc(C#N)cn1 1115682579 RSZSSZQNKNDDIV-AAEUAGOBSA-N 318.381 -0.062 30 20 DBED C[C@H](CN(C)C(=O)Cn1cnnc1O)Nc1cnc(C#N)cn1 1115687302 NBDUFCOXSWBKRB-SECBINFHSA-N 316.325 -0.396 30 20 DBED COC(=O)CN(CC#N)C(=O)c1cnc2n(c1=O)CCS2 1116105898 NNJJVKZLNSGRCR-UHFFFAOYSA-N 308.319 -0.512 30 20 DBED C[C@H](CS(C)(=O)=O)NC(=O)C(=O)N1CCC[C@](C)(C#N)C1 1117378936 GITHCEWQMXGZLU-ZWNOBZJWSA-N 315.395 -0.312 30 20 DBED CN(CCN1CCOCC1)C(=O)C(=O)N1CC[C@](F)(C#N)C1 1117950600 MQUQPQUYWUYZGV-AWEZNQCLSA-N 312.345 -0.759 30 20 DBED Cc1c(C(=O)NC[C@H](CO)Nc2cncc(C#N)n2)cnn1C 1121044833 ULAJLOTVQGOQTJ-LLVKDONJSA-N 315.337 -0.407 30 20 DBED Cn1cc(CC(=O)NC[C@H](CO)Nc2ccc(C#N)nn2)cn1 1121190557 LWQPSPGPNCSJRK-GFCCVEGCSA-N 315.337 -0.787 30 20 DBED N#Cc1nc(=N[C@@H](CO)CNC(=O)/C=C\c2ccc[nH]2)cc[nH]1 1121359998 PFJXTUCDFOWXSX-VSQXVHSFSA-N 312.333 -0.299 30 20 DBED CO[C@@H](C)CCC(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1 1121473408 XTTQHFPJURVHSQ-QWRGUYRKSA-N 307.354 -0.526 30 20 DBED C=CCn1c(C[C@@H](C)O)nnc1N1C[C@H]2C(=O)N(C)C(=O)[C@H]2C1 1121631307 YBUSTZJVXPJDQC-MXWKQRLJSA-N 319.365 -0.562 30 20 DBED COCCCOCC(=O)NC[C@H](CO)Nc1cncc(C#N)n1 1122052314 IUSFMTTYWBLWES-GFCCVEGCSA-N 323.353 -0.710 30 20 DBED CC(C)(C(N)=O)C(=O)NC[C@@H](CO)Nc1ccc(C#N)nc1 1122199002 ZSOFGBKMMVDDBU-NSHDSACASA-N 305.338 -0.646 30 20 DBED N#Cc1cncc(N[C@@H](CO)CNC(=O)CCc2cnc[nH]2)n1 1122748437 SGCQDDGBCXHAGO-GFCCVEGCSA-N 315.337 -0.407 30 20 DBED CNC(=O)NCC(=O)N1C[C@H](N=c2cc[nH]c(C#N)n2)C[C@H]1C 1123317966 CYMGAEGIRWXVAK-NXEZZACHSA-N 317.353 -0.900 30 20 DBED C=C(C)CN(CC)C(=O)CNCCNC(=O)[C@@H]1COCCO1 1123870135 NDXCIHILRZIXNE-ZDUSSCGKSA-N 313.398 -0.468 30 20 DBED CN(C[C@@H](O)CNc1cncc(C#N)n1)C(=O)c1ccnnc1 1124751713 AMLIKWXXVQYEQS-LBPRGKRZSA-N 313.321 -0.317 30 20 DBED CC(=O)NCC(=O)N(C)C[C@H](O)CN(C)c1ccc(C#N)nc1 1124938914 FAPRKJDZAUOKIO-CQSZACIVSA-N 319.365 -0.655 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)[C@H]1CCNC(=O)C1 1125625134 OSAWDKMLOVGAKN-ZDUSSCGKSA-N 322.409 -0.581 30 20 DBED C#CCO[C@@H](C)C(=O)NCCNCc1nnn(C(C)(C)C)n1 1127046108 LPKVETGNBKKKOP-NSHDSACASA-N 308.386 -0.328 30 20 DBED C#CCO[C@H](C)C(=O)NCCN[C@H](C)C(=O)NC(=O)NC1CC1 1127051810 NEEOXKGZFOIARR-GHMZBOCLSA-N 324.381 -0.893 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CCc2nnc(CNCCO)n2CC1 1127997086 JHUHSVRWINCTQZ-CYBMUJFWSA-N 319.409 -0.160 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1cc2n(n1)CCC2 1128910372 YXEIBLJROBNYLX-NSHDSACASA-N 303.366 -0.713 30 20 DBED C=CCCCC(=O)N[C@@H]1CN([C@H](C)C(N)=O)C[C@@H]1n1ccnn1 1129210712 UUVFGPSQMSZIQB-UPJWGTAASA-N 320.397 -0.150 30 20 DBED C=C[C@](C)(O)CC(=O)N1C[C@H](n2ccnn2)[C@H](NCCCO)C1 1129795080 AQDQYRAQPVGUQV-IPYPFGDCSA-N 323.397 -0.671 30 20 DBED C#CCN[C@@H]1CN(C(=O)CCCN(C)C)C[C@@H]1n1ccnn1 1129985065 NTONXZNSOJUOGS-KGLIPLIRSA-N 304.398 -0.405 30 20 DBED COCCC(=O)NCc1nc([C@H]2CCO[C@H]2CNCC#N)n[nH]1 1130175545 OIIHAPXVKYZFBA-QWRGUYRKSA-N 322.369 -0.557 30 20 DBED C#CCN1CC[C@H](c2n[nH]cc2CNC(=O)[C@H](C)CC(N)=O)C1 1130416092 XAMVIOWMWODZSJ-NEPJUHHUSA-N 317.393 -0.040 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1cnoc1-c1ccco1 1130425186 MRMFCXBBXIKWMS-UHFFFAOYSA-N 317.305 -0.106 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1cnn(CCF)c1 1130666105 GDMVGXSFHUJDFG-LLVKDONJSA-N 309.345 -0.690 30 20 DBED C=CCN1C[C@H]2C[C@H]3CN(C(=O)C[C@@H](C)NC(N)=O)C[C@@]3(C1)O2 1131230072 DKMSCNZHAYFPJM-OQMKEHIESA-N 322.409 -0.079 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1cc(C(F)F)nn1C 1131285032 VJJBXCGBPGLXBE-UHFFFAOYSA-N 315.324 -0.021 30 20 DBED C[C@@H]1CC[C@@H](NC(=O)c2ncc[nH]2)CN1CC(=O)NCC#N 1132005626 ALNURGHUHYDULT-GHMZBOCLSA-N 304.354 -0.368 30 20 DBED C[C@H]1CC[C@H](NC(=O)CCS(=O)(=O)N(C)C)CN1CC#N 1132505341 RCWLRVSFCAUTHT-RYUDHWBXSA-N 316.427 -0.239 30 20 DBED C[C@@H]1CCN(C(=O)c2cc(=O)n(C)cn2)C[C@@H]1CNCC#N 1132900823 IIKRYZHUKFAJRV-NEPJUHHUSA-N 303.366 -0.008 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1cccnc1OC 1133273747 ORYYGXLVGXXGGW-NSHDSACASA-N 304.350 -0.453 30 20 DBED C[C@@H](C[C@@H](C)NCC(=O)NCC#N)NC(=O)c1cc(=O)n(C)o1 1134219569 OUWQVAALSLSQCL-ZJUUUORDSA-N 323.353 -0.895 30 20 DBED C=CCn1cc(C(=O)NCCNCC(=O)NCC(C)(C)C)nn1 1134973313 MOOARPNBBSOVNX-UHFFFAOYSA-N 322.413 -0.054 30 20 DBED COCC#CCN1CCC2(C1)CN(C(=O)CCn1cncn1)C2 1147009543 LHBSZWFLZHGNGX-UHFFFAOYSA-N 317.393 -0.148 30 20 DBED CNC(=O)NC(=O)CN1CCC2(C1)CN(C(=O)C#CC1CC1)C2 1147514866 YPWFGWPXRDYZHS-UHFFFAOYSA-N 318.377 -0.610 30 20 DBED CN1CC[C@@H](CC(=O)NC[C@H]2CN(CC#N)CCCO2)C1=O 1149890831 VQLOXRMXNBWCJR-STQMWFEESA-N 308.382 -0.415 30 20 DBED CN(CC(=O)NCCNCC(=O)NCC#N)c1ccccc1 1153309880 URPDGRZTRNWHAG-UHFFFAOYSA-N 303.366 -0.532 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cnn(C)c1C1CC1 1153538967 KFQPWIBAPDWTAV-UHFFFAOYSA-N 303.366 -0.634 30 20 DBED CNC(=O)NC(=O)[C@@H](C)NCCCNC(=O)c1ccc(C#N)[nH]1 1156698151 TVELAFMTMPILOL-SECBINFHSA-N 320.353 -0.560 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)C(C)(C)CNC(C)=O 1168157560 ULJXDNKWJBDONL-GFCCVEGCSA-N 324.425 -0.618 30 20 DBED CCN(CCC#N)C(=O)CNCCCNC(=O)c1cnn(C)n1 1168319831 GEVUVCVZFWOKKX-UHFFFAOYSA-N 321.385 -0.713 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)CCCCN(C)C 1171585488 WJVIJXZAHKMECR-CQSZACIVSA-N 310.442 -0.048 30 20 DBED Cc1cc(C(=O)N2CC[C@H](NCC(=O)NCC#N)[C@@H]2C)n[nH]1 1178221213 IWPBFKIXNCXCEK-QWRGUYRKSA-N 304.354 -0.450 30 20 DBED COCC#CCNCCCCCCNC(=O)Cn1cnnc1O 1178267115 XZMNKQQGPQTXDF-UHFFFAOYSA-N 323.397 -0.100 30 20 DBED CNC(=O)NC(=O)CNC[C@]1(C)CN(C(=O)[C@H](C)C#N)C[C@H]1C 1180914537 STVUPWOYZSYDFC-UEKVPHQBSA-N 323.397 -0.324 30 20 DBED Cc1cc(C(=O)N2CC[C@H]3CN(CC(=O)NCC#N)C[C@H]32)n[nH]1 1187046644 FBNNBORYOFSTNZ-WCQYABFASA-N 316.365 -0.496 30 20 DBED CCOCCNC(=O)CN1C[C@@H]2CCN(C(=O)[C@@H](C)C#N)[C@@H]2C1 1187311979 PJFCRHGNPDZCMZ-MELADBBJSA-N 322.409 -0.169 30 20 DBED COCC#CCN(C)[C@@H]1CCN(C(=O)c2cc(C(N)=O)c[nH]2)C1 1193056422 IBAZKMHKTOEDFE-CYBMUJFWSA-N 318.377 -0.090 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@H](C)NC(=O)CC(F)(F)F)C1 1193174015 IABYUQDFUFIQSX-IVZWLZJFSA-N 321.299 -0.762 30 20 DBED C#CCNC(=O)[C@H](C)N1CCCN(C(=O)[C@@H]2COCCO2)CC1 1194889064 FJHZGHCXDRTYSZ-KBPBESRZSA-N 323.393 -0.926 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)c2cn(C)nc2OC)C1 1195215247 RPGUMJLGKYIVIR-CHWSQXEVSA-N 324.381 -0.594 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)c2cnn3cc[nH]c23)C1 1198127925 UVXFSJBEOLKANS-CHWSQXEVSA-N 317.349 -0.913 30 20 DBED C=CCO[C@H](C)C(=O)N1CCCN([C@H]2CCC(=O)NC2=O)CC1 1198343467 KTPDMNNTVJVSQV-OLZOCXBDSA-N 323.393 -0.083 30 20 DBED C=CCOCCNC[C@H]1CN(C(=O)Cn2ncnn2)CCCO1 1200520272 RQQAACBAKAWLOG-ZDUSSCGKSA-N 324.385 -0.917 30 20 DBED COC[C@]1(C(=O)N2CCCO[C@H](CNCC#N)C2)CCOC1 1201089702 QPGUBBUOPJNIKS-UKRRQHHQSA-N 311.382 -0.230 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)COCCCC)[C@H](C)C1 1206733366 PBUUYDZHUWCTFI-ZIAGYGMSSA-N 309.410 -0.011 30 20 DBED COCCS(=O)(=O)CC(=O)N1CCC[C@@H](NCC#N)C1 1208435905 QVNZILBHNGSRMG-LLVKDONJSA-N 303.384 -0.848 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)[C@]2(F)CCOC2)C1 1209242921 QVHGTSFWVPVVAJ-WFASDCNBSA-N 313.373 -0.002 30 20 DBED CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H](NCC#N)C1 1209421105 ZQCGDMKVOCOEIE-JSGCOSHPSA-N 318.381 -0.439 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 1209737326 RPQLJAOTIASETE-YJNKXOJESA-N 319.405 -0.116 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)CN2CCCC2)[C@H](C)C1 1211038420 JNRDYCGCZKQCLO-RBSFLKMASA-N 320.437 -0.343 30 20 DBED CC#CCN1C[C@@H](NC(=O)CN(C)C(=O)C(C)C)[C@H](OC)C1 1212357826 YEZKODYVKGCJGM-ZIAGYGMSSA-N 309.410 -0.061 30 20 DBED C#CCN1C[C@@H](NC(=O)CCC(=O)N2CCOCC2)[C@H](OC)C1 1213817933 HUAYUFKCJWJNEV-ZIAGYGMSSA-N 323.393 -0.926 30 20 DBED C[C@@H]1CN(C(=O)c2ccsn2)C[C@H]1NCC(=O)NCC#N 1214933898 VFDGYXSJPDKJJW-MWLCHTKSSA-N 307.379 -0.167 30 20 DBED C=CCCN[C@@H]1CN(C(=O)CN2CCC(=O)NC2=O)C[C@H]1C 1216251933 HMOWFXCDMLPPTG-VXGBXAGGSA-N 308.382 -0.059 30 20 DBED CCN(C(=O)CN1C[C@H](O)[C@H](NC(=O)C#CC2CC2)C1)C1CC1 1219594417 KWAFCXHGCXPBJT-CABCVRRESA-N 319.405 -0.428 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2c(C)noc2C)C[C@@H]1O 1219603112 SRHDTQOSEVIVIS-CFVMTHIKSA-N 321.377 -0.009 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN([C@@H](C)c2noc(C)n2)C[C@@H]1O 1219609403 OYUCRPXHHXQHHO-UHTWSYAYSA-N 322.365 -0.360 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)CCCCc2cnn[nH]2)C1 1220063108 KZMGLYYIZUQBQZ-KGLIPLIRSA-N 305.382 -0.298 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)CNC(=O)Nc2ccccc2)C1 1220103845 LKBDJJRBLJNUCE-KGLIPLIRSA-N 316.361 -0.397 30 20 DBED CC#CCCCC(=O)N[C@@H]1CN(CC(=O)NC(C)C)C[C@@H]1O 1220184889 VTLDNNGAIILUCJ-KGLIPLIRSA-N 309.410 -0.134 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)c2conc2C2CC2)C1 1220336469 WVMHBBVWZYRMAM-KGLIPLIRSA-N 319.361 -0.023 30 20 DBED COCC#CCN1CC[C@@H]2CN(C(=O)C[C@H]3CCNC3=O)[C@@H]2C1 1221615387 GJHCFVZMZSRSPR-RBSFLKMASA-N 319.405 -0.305 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)CCOCC#C)CC1 1223155912 DWOXXJKVGIKPED-UHFFFAOYSA-N 319.405 -0.396 30 20 DBED C[C@@H](C#N)C(=O)NC1CCN(C[C@H](O)Cn2cccn2)CC1 1226647626 CIPRENSDKKNMDY-JSGCOSHPSA-N 305.382 -0.016 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)c2cnnn2CC)CC1 1227183676 WNXCPEPOMNFKDD-UHFFFAOYSA-N 318.381 -0.758 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)c1snnc1C 1230714835 KYOXCWTZYLTLIU-LLVKDONJSA-N 321.406 -0.258 30 20 DBED COc1cc(C(=O)N(C)C[C@H]2CCN2CC(=O)NCC#N)on1 1233740218 DYNVVISJJPLPKF-SNVBAGLBSA-N 321.337 -0.531 30 20 DBED CC(C)(CNN=Cc1cn(CC(=O)O)nn1)S(C)(=O)=O 1321367419 VSXGMYBXLVMRDV-UHFFFAOYSA-N 303.344 -0.891 30 20 DBED COCCONC(=O)C(=O)NCc1ccc(OCC#N)cc1 1322464604 ATTPALYFWSLPPU-UHFFFAOYSA-N 307.306 -0.101 30 20 DBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCCn1cncn1 1323174908 OUZSIQUJQBLCTM-RYUDHWBXSA-N 307.354 -0.508 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCC=C(F)C1 1323710522 CQBCUALQFJGCPR-UHFFFAOYSA-N 304.343 -0.211 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CC[C@H]1C(C)C 1323710552 CWBBUMXSDWZZAO-NSHDSACASA-N 302.396 -0.040 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N(C)[C@H](C)CS(C)(=O)=O 1324237152 VZEXKYAODVNRIO-ZJUUUORDSA-N 306.384 -0.805 30 20 DBED C=C[C@@H]1CCCCN1C(=O)C(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1 1324292035 BTJYJNHKECMPTA-WOPDTQHZSA-N 309.366 -0.297 30 20 DBED CC#CC[C@H](CO)NC(=O)C(=O)Nc1cc(C)n(CCC#N)n1 1326088866 ZGLWXKVZGSDESZ-GFCCVEGCSA-N 317.349 -0.066 30 20 DBED CN1CC(=O)N(CCCC(=O)N2CC[C@@](O)(CC#N)C2)C1=O 1326384472 YVNFBTPSYACDNK-AWEZNQCLSA-N 308.338 -0.462 30 20 DBED Cc1cc(NC(=O)C(=O)N2CCO[C@H](C#N)C2)ccc1C(N)=O 1326814032 XBWMOXSOYPXXFI-LLVKDONJSA-N 316.317 -0.217 30 20 DBED C[C@H]1CN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)CC(C)(C)O1 1327023738 KCSJOZMIIAMULT-XHDPSFHLSA-N 309.366 -0.111 30 20 DBED C=CCOCCNC(=O)C(=O)N(CC)[C@H]1CCS(=O)(=O)C1 1327053229 RETLAZBGICFEQL-NSHDSACASA-N 318.395 -0.659 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)c2ccoc2C)CC1 1330302720 YSIVQZAVVDHOCS-UHFFFAOYSA-N 311.363 -0.187 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N1CC[C@](O)(C2CC2)C1 1330430848 RFCOAIDTKOEAHU-CZUORRHYSA-N 308.378 -0.096 30 20 DBED Cc1cc(NC(=O)C(=O)N2CCCNC(=O)C2)nn1CCC#N 1332331913 GJJJBWKDJPHSSL-UHFFFAOYSA-N 318.337 -0.608 30 20 DBED C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CNOC2)n1 1335662545 QMJWEPOXRDINOF-CYBMUJFWSA-N 307.354 -0.422 30 20 DBED C=CCOCc1nnc(N2CCN(C)C(=O)C2)n1CCOC 1341375798 HBIHEEPQAGUQFV-UHFFFAOYSA-N 309.370 -0.095 30 20 DBED CC(C)OC(=O)[C@H](C)N(C)C(=O)Cn1cc(C#N)c(O)nc1=O 1362473861 UOADZFGHUBNJBU-VIFPVBQESA-N 322.321 -0.381 30 20 DBED CC(C)(C#N)CS(=O)(=O)NC1CCN(CC(N)=O)CC1 1365726366 ZGVSGQRYMSMLGG-UHFFFAOYSA-N 302.400 -0.595 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CN(C(=O)CCCF)C[C@H]2O)c1 1371457824 OEFTVPOIISMASG-VXGBXAGGSA-N 308.313 -0.062 30 20 DBED COCC(=O)N(C)CC(=O)NCC[C@@H](C)NC(=O)[C@H](C)C#N 1373291905 ZIAXGJNWDWJPFF-GHMZBOCLSA-N 312.370 -0.738 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CN(C)C(=O)CCc1cnccn1 1383075984 JCKXEVPIUXMMSI-YPMHNXCESA-N 319.365 -0.496 30 20 DBED COC(=O)NCC(=O)N1C[C@H]2CCN(C(=O)[C@H](C)C#N)C[C@H]21 1384268517 KFZIJSXPRASAOF-GMTAPVOTSA-N 308.338 -0.439 30 20 DBED C[C@@H](C#N)C(=O)NC1CCN(C(=O)C2(NC(N)=O)CC2)CC1 1385429039 BLWOERPXXACPKE-VIFPVBQESA-N 307.354 -0.546 30 20 DBED C[C@H](CNC(=O)[C@@H]1CCC(=O)N1)NC(=O)c1c[nH]c(C#N)c1 1392289232 OPMZASIZKURBSC-KCJUWKMLSA-N 303.322 -0.601 30 20 DBED CNC(=O)NCCC(=O)N[C@H](C)CNC(=O)c1ccc(C#N)[nH]1 1408131568 JEJCERQAVUAGRX-SECBINFHSA-N 320.353 -0.560 30 20 DBED CCN1CCOC[C@@H]1C(=O)NCCN(C(=O)[C@H](C)C#N)C1CC1 1408925429 RQCZXHHHLYZEEK-TZMCWYRMSA-N 322.409 -0.026 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](C)CNC(=O)c1ccnc2c1nnn2C 1415262197 NQJFGBWXXHGTOR-DTWKUNHWSA-N 315.337 -0.243 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](C)CNC(=O)c1cccc(C(N)=O)n1 1428675878 NHLJNXSPEGXHHC-DTWKUNHWSA-N 303.322 -0.425 30 20 DBED COC(=O)NCC(=O)N1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 1429509587 QJYOVMOTNZOZML-SNVBAGLBSA-N 319.321 -0.427 30 20 DBED C=C(Cl)CN1CC(CNC(=O)CN2CCN(C)C(=O)C2)C1 1438127171 KKYDXUYFVOYKSS-UHFFFAOYSA-N 314.817 -0.439 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1cnc2cc[nH]c2c1 1452394763 OXCYKFNSUGHVEA-GXSJLCMTSA-N 315.333 -0.071 30 20 DBED C[C@H](CNC(=O)COCc1ccnn1C)NC(=O)[C@H](C)C#N 1454654602 MDIFUROSKXCURZ-GHMZBOCLSA-N 307.354 -0.283 30 20 DBED CCn1nc(C)c(C(=O)N2CC(CNC(=O)[C@@H](C)C#N)C2)n1 1456581456 FNZFTCLVISGSEX-VIFPVBQESA-N 304.354 -0.046 30 20 DBED C[C@@H](CN(C)C(=O)c1cc(C#N)c[nH]1)NCCS(C)(=O)=O 1485861393 JBNYDWVPHONZOM-JTQLQIEISA-N 312.395 -0.019 30 20 DBED C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)N(C)C(=O)[C@H]1COCCO1 1486835231 NUFJTWUUOFJTBH-GXFFZTMASA-N 320.349 -0.122 30 20 DBED C[C@H](C#N)C(=O)NCCN1CCN(C(=O)[C@@H]2CCN(C)C2)CC1 1493185783 VIZAQNNNOLOKGR-ZIAGYGMSSA-N 321.425 -0.642 30 20 DBED COc1c[nH]c(C(=O)NCCN(C)C(=O)[C@@H](C)C#N)cc1=O 1528406634 NLROTUZHNKQRLZ-VIFPVBQESA-N 306.322 -0.269 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCCOCCN(C)Cc1cnn[nH]1 1575111608 IETCFHGQOHWBLB-KGLIPLIRSA-N 323.397 -0.040 30 20 DBED C=CCOCC(=O)NC[C@H](C)Nc1cnc(-c2nn[nH]n2)cn1 1588674565 PUJNNPMGNOLABP-VIFPVBQESA-N 318.341 -0.224 30 20 DBED C=CCOC[C@@H](NC(=O)COc1ccc(C(N)=O)cc1)C(=O)O 1588853622 CREDHIYTQJMXBD-GFCCVEGCSA-N 322.317 -0.064 30 20 DBED N#Cc1cc(O)cc(C(=O)NCCC(=O)NCCC(=O)O)c1 1601089732 WEWKVVSPPQVLDR-UHFFFAOYSA-N 305.290 -0.025 30 20 DBED C[C@@H](C(=O)N(CC(=O)O)C1CCOCC1)n1cnc(C#N)n1 1602786230 GGGMNXSMOWJOSG-VIFPVBQESA-N 307.310 -0.197 30 20 DBED N#Cc1ncn(CC(=O)N2CCC[C@@H](N3CCOCC3)CC2)n1 1647195162 UZJQZLJIFNVLNC-CYBMUJFWSA-N 318.381 -0.137 30 20 DBED CNC(=O)C1CCC(NC(=O)NCCn2cnc(C#N)n2)CC1 1649799378 KGMDFIQAVRGLOH-UHFFFAOYSA-N 319.369 -0.246 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)c2cnn(CC)n2)C1 1713146998 FGJMPKDFJPEDEX-NEPJUHHUSA-N 318.381 -0.760 30 20 DBED C#CCO[C@H](C)C(=O)N1[C@H]2CC[C@H]1CN(CC(=O)N1CCC1)C2 1752534009 CVDMMABXGDITTC-ILXRZTDVSA-N 319.405 -0.068 30 20 DBED C=CCNCCNC(=O)[C@@H]1CCCN(C(=O)c2cnnn2C)C1 1752926580 UHSQNHKKHWSZFN-GFCCVEGCSA-N 320.397 -0.441 30 20 DBED N#CCNCCNC(=O)[C@@H]1CCCN(C(=O)c2cccnn2)C1 1752927132 NKUZIRIWDVBPRX-GFCCVEGCSA-N 316.365 -0.442 30 20 DBED COCC#CCNC[C@@H]1CCN(C(=O)CCc2cnn[nH]2)C1 1752952490 ZTHJLULZRFXYFE-ZDUSSCGKSA-N 305.382 -0.175 30 20 DBED C=C(C)CNC[C@H]1CCN(C(=O)CS(=O)(=O)N(C)C)C1 1752957974 IPNFVGZMOWMSLX-GFCCVEGCSA-N 303.428 -0.108 30 20 DBED C=CCN[C@H](C)CCNC(=O)c1nc(C)n(-c2nc[nH]n2)n1 1753011238 TYQPCSNRXFYLGL-SECBINFHSA-N 304.358 -0.022 30 20 DBED C#CCNC(=O)[C@H](C)N1CC(CNC(=O)CCC(=O)NCC)C1 1753397945 WCHQWZVBDSZZPP-LBPRGKRZSA-N 322.409 -0.911 30 20 DBED C=CCOCC(=O)N(C)[C@H](C)CNCc1nnc2n1CCOC2 1753682938 WKSOTROPVLPLIH-GFCCVEGCSA-N 323.397 -0.053 30 20 DBED C=CCNC(=O)CNC[C@H](C)N(C)C(=O)[C@H]1CN(C)CCO1 1753687240 JOZXYLSJKQOLPR-QWHCGFSZSA-N 312.414 -0.944 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)CCN(C)Cc1nnnn1C 1753854868 AXUCEFWKPRWSKN-ZDUSSCGKSA-N 319.413 -0.802 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)Cc1cccs1 1753903574 UFSFHRQAAPKHKJ-NWDGAFQWSA-N 323.418 -0.505 30 20 DBED Cc1csc(C(=O)NC[C@@H](O)CNCC(=O)NCC#N)c1 1753909937 MYEIRWNNLLGHNS-JTQLQIEISA-N 310.379 -0.623 30 20 DBED C=CCCn1cc(C(=O)N[C@H](C)CCN[C@@H]2CCNC2=O)nn1 1754017208 RMVXVMKKDFNCQX-VXGBXAGGSA-N 320.397 -0.159 30 20 DBED C=C(C)CN(CC)C(=O)CNC[C@@H](C)NC(=O)c1cnnn1C 1754224692 UPQWTDTYPICOFB-GFCCVEGCSA-N 322.413 -0.052 30 20 DBED C[C@H](CNCC(=O)NCC#N)NC(=O)[C@H]1CCn2cncc2C1 1754232034 VQARLHSTBKBLIX-NEPJUHHUSA-N 318.381 -0.820 30 20 DBED Cc1cnn(C)c1C(=O)N[C@H](CNCC(=O)NCC#N)C1CC1 1754448855 GZHCMGAQMSNXDM-GFCCVEGCSA-N 318.381 -0.534 30 20 DBED CC(C)CN1C[C@H](C(=O)NC[C@@]2(O)CCN(CC#N)C2)CC1=O 1754753316 DECKYOUKIKEABE-CJNGLKHVSA-N 322.409 -0.433 30 20 DBED N#CCNC(=O)CN1C[C@H]2CN(C(=O)c3cocn3)C[C@H]2C1 1754840409 YWDXDCMALSNCFH-PHIMTYICSA-N 303.322 -0.682 30 20 DBED C#CCN1C[C@H]2CN(C(=O)CCCn3c(O)nnc3O)C[C@H]2C1 1754846197 XVPHNTFJUMXZDZ-TXEJJXNPSA-N 319.365 -0.507 30 20 DBED NC(=O)C(=O)N(CCO)CCNCC#Cc1ccc(Cl)cc1 1754892528 OWGUKQJQMVOFPC-UHFFFAOYSA-N 323.780 -0.413 30 20 DBED C[C@@H](C(=O)NC(N)=O)N(C)C[C@H]1CCCN1C(=O)C#CC1CC1 1755193216 UMIASEOZUQNPHZ-WCQYABFASA-N 320.393 -0.094 30 20 DBED C=CCN[C@@H](C)[C@@H]1CN(C(=O)CN2CCCNC2=O)CCO1 1755445273 QUALIEOJZGLBHG-STQMWFEESA-N 310.398 -0.207 30 20 DBED C=CCNC(=O)CN[C@@H](C)CN(C)C(=O)c1cn(CC)nn1 1755611444 PNVXCSHGSVZQCX-NSHDSACASA-N 308.386 -0.350 30 20 DBED CC(C)(C)C#CC(=O)NC[C@@H](CO)NCC(=O)Nc1ccon1 1755628166 QANKIUARSNTTKY-NSHDSACASA-N 322.365 -0.271 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)Cc2cnn(C)c2)[C@H]1C 1755652486 WLXBCPVFBORFCR-GXTWGEPZSA-N 319.409 -0.156 30 20 DBED C[C@@H]1[C@H](NC(=O)Cn2ccnc2)CCCN1CC(=O)NCC#N 1755722726 LBITWDZSKCABET-CHWSQXEVSA-N 318.381 -0.508 30 20 DBED C=CCCC(=O)N[C@@H]1CN(C(=O)CNC(=O)C2CCC2)C[C@@H]1O 1757160706 BFXQCQPMCPFGRK-OLZOCXBDSA-N 323.393 -0.443 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(C(=O)C[C@](C)(O)C=C)C[C@@H]1O 1757173698 GLYKGWNNLHAHPT-DVOMOZLQSA-N 324.377 -0.959 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)NC(=O)C=C)CCO2 1783051803 PLWVXDAPCIKNCO-LRDDRELGSA-N 319.361 -0.860 30 20 DBED C[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)S)C[C@@H]21 1791056466 RVJYRSNRQJXSHC-GCHJQGSQSA-N 316.423 -0.335 30 20 DBED C#CCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)CN 1795517326 RQFYJTRZGWDMQK-HGTKMLMNSA-N 321.421 -0.026 30 20 DBED C#CC(=O)N1CC2(CCCN2C(=O)C(=O)Nc2cccnc2)C1 1844342621 VSYHYRFMQVXFPN-UHFFFAOYSA-N 312.329 -0.143 30 20 DBED CCN(C[C@@H](C)C#N)C(=O)CNS(=O)(=O)c1cnn(C)c1 56411652 CNPATMIWZKMOFS-JTQLQIEISA-N 313.383 -0.293 30 20 DBED C#CCNC(=O)CN[C@@H](c1nc(-c2nnc[nH]2)no1)C(C)C 120762301 OAJJZPMYERJUNZ-SNVBAGLBSA-N 303.326 -0.109 30 20 DBED C/N=C(/NCCNC(C)=O)N1CCO[C@@H](c2cnn(C)c2)C1 261824716 UYEZTHHQCHRRCB-CYBMUJFWSA-N 308.386 -0.495 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2C[C@H]2C(=O)OC)CC1 264874799 HFABKYNBQCXXBX-CHWSQXEVSA-N 321.377 -0.921 30 20 DBED C=CCNC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 265037057 LLEZUAYETAYYGW-SNVBAGLBSA-N 323.374 -0.011 30 20 DBED CNC(=O)[C@@H]1CN(S(=O)(=O)c2cccc(C#N)c2)CCO1 272719222 BOKHCOYIHZWTCB-LBPRGKRZSA-N 309.347 -0.306 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N[C@@H](C(N)=O)C(C)(C)C 272887056 VVOCZFHBONRRMV-VIFPVBQESA-N 305.400 -0.214 30 20 DBED C=CCSCCN1C(=O)[C@@H]2CS(=O)(=O)CCN2C1=O 281102738 UETWYHBZIMXDPR-VIFPVBQESA-N 304.393 -0.033 30 20 DBED C=C[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C 290504707 GHTYPHKSFAEZCM-BDAKNGLRSA-N 301.343 -0.582 30 20 DBED CC1(C)C[C@]1(C#N)NC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 291423460 KVIUSLGFRXGCDQ-HNLFMTLOSA-N 317.345 -0.043 30 20 DBED CCCN([C@H]1CC(=O)N(C)C1=O)S(=O)(=O)N(C)CCC#N 330406286 FMZFKVMTFOOLJD-JTQLQIEISA-N 316.383 -0.454 30 20 DBED CC(C)[C@H](O)CN/C(O)=N/CCC(=O)N1CCN(C)CC1 330854801 HKMKYYRUYQWBHN-GFCCVEGCSA-N 300.403 -0.329 30 20 DBED COC(=O)[C@@](C)(O)CNC(=O)[C@@H]1CCCN1/C(O)=N/C(C)C 330882100 ALRZFUIIHJAZLC-HZMBPMFUSA-N 315.370 -0.187 30 20 DBED C=CCCC(=O)N1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 331042619 DELYOSRDWZZBBS-NWDGAFQWSA-N 302.396 -0.745 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N2CCN(CC3CC3)CC2)CCO1 336910200 IFICXRSPGXLFCT-CYBMUJFWSA-N 314.411 -0.517 30 20 DBED COCCN(CCC#N)S(=O)(=O)NCCC(=O)N(C)C 336926036 WVFLPUOCCKODBI-UHFFFAOYSA-N 306.388 -0.839 30 20 DBED Cc1cc(NC(=O)CN2CCN(C(=O)[C@@H](C)C#N)CC2)no1 345598790 YKYOSYGCLRWFRR-JTQLQIEISA-N 305.338 0.225 30 20 DBED C=CCOCC(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 346278811 KXTXSLFNCOWYEJ-CYBMUJFWSA-N 311.382 -0.762 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)NCCC1(O)CCOCC1 352303118 PYPRCRPGHFJXSH-NSHDSACASA-N 305.400 -0.156 30 20 DBED C=CC[C@@H](CO)CNC(=O)C(=O)Nc1cc2n(n1)CCCC2 354384965 IMFKYUFNBGQGDL-LLVKDONJSA-N 306.366 0.459 30 20 DBED CNC(=O)CC(=O)N1C[C@@H](C#N)[C@]2(C1)C(=O)Nc1ccccc12 356992644 YTWZVOXACWDMRH-HWPZZCPQSA-N 312.329 -0.005 30 20 DBED COc1ccc(C#N)cc1NC(=O)C(=O)NCCn1ncnn1 359384272 SUTCSLRLWXIREY-UHFFFAOYSA-N 315.293 -0.692 30 20 DBED CN(CC(C)(C)C#N)S(=O)(=O)N1CCS(=O)(=O)CC1 432279302 CTLXUJULVAHSIL-UHFFFAOYSA-N 309.413 -0.557 30 20 DBED C#CCNC(=O)CN1CCN([C@@H](C)C(=O)NCC(C)C)CC1 491625062 KCFBVIHNUGFLSL-AWEZNQCLSA-N 308.426 -0.486 30 20 DBED C[C@H](C#N)CN(C)C(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C 516843953 QQNFLKLETMUICR-SECBINFHSA-N 317.349 -0.193 30 20 DBED Cc1cc(C#N)cnc1C(=O)N1CCN(C(=O)[C@H](C)O)CC1 560346365 WXPBSMPAPZEABW-NSHDSACASA-N 302.334 -0.073 30 20 DBED CC[C@H](CNS(C)(=O)=O)NC[C@@H](O)CN(C)CCC#N 571634000 GKFWNSGWTMCSAY-VXGBXAGGSA-N 306.432 -0.890 30 20 DBED COC(=O)[C@@H]1C[C@H](O)CN(Cc2cnc3c(C#N)cnn3c2)C1 592528752 BAKGGZKAOPEFOR-YPMHNXCESA-N 315.333 -0.043 30 20 DBED COc1c(C#N)ccc(=O)n1CC(=O)N[C@@H](C)C(=O)N(C)C 596283235 VYMLIGCKWPLUDV-VIFPVBQESA-N 306.322 -0.679 30 20 DBED C=C[C@H](O)C(=O)N1CCN(CC(=O)Nc2nncs2)CC1 668604706 ZZBULXAJRDIDKO-VIFPVBQESA-N 311.367 -0.832 30 20 DBED C[C@@H]1CN(C(=O)CN(C)CCCc2[nH]nc(N)c2C#N)CCO1 760890091 RQBLGYJNQOLMOB-LLVKDONJSA-N 320.397 -0.025 30 20 DBED C#CCNC(=O)CN[C@@H](C(=O)OC)c1ccc(OC)c(O)c1 770688609 NNHQCQGQGGXWBV-CQSZACIVSA-N 306.318 -0.046 30 20 DBED N#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@H]1CNC(=O)C1 784867650 HEISKKPMXKPLDP-SECBINFHSA-N 320.280 -0.329 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N[C@H](C)c1nnnn1C1CC1 800127334 LOXDEWHLIPRXBB-RKDXNWHRSA-N 313.387 -0.005 30 20 DBED C#CCCCS(=O)(=O)N1CCC[C@@H](CS(N)(=O)=O)C1 805010242 YMPVYECLROPAGI-LLVKDONJSA-N 308.425 -0.270 30 20 DBED C#CCOc1ccc(NC(=O)C(=O)NC2(C(N)=O)CC2)cc1 807053099 JUFRRVMBHDWALX-UHFFFAOYSA-N 301.302 -0.229 30 20 DBED C#C[C@@H](NC(=O)C(=O)N1CCCN(C(C)=O)CC1)[C@@H]1CCCO1 809307322 CJDASTWVZNIVTD-KGLIPLIRSA-N 321.377 -0.636 30 20 DBED C#CC[C@@H](CO)NC(=O)CNC(=O)c1ccc(OC)c(OC)c1 816670594 ZXIWEESOUYFPBA-LBPRGKRZSA-N 320.345 -0.066 30 20 DBED C=CCNC(=O)CN1CCS(=O)(=NS(C)(=O)=O)CC1 821305846 ONADWWAKFRHTDN-UHFFFAOYSA-N 309.413 -0.968 30 20 DBED C#CCO[C@H](C)C(=O)N1CCN(S(=O)(=O)CC)C[C@H]1C 832007712 PFIJNELEJIJNCY-VXGBXAGGSA-N 302.396 -0.093 30 20 DBED CC(C)(C)C(=O)Cn1cc(C(=O)N[C@H]2CNC[C@H]2C#N)nn1 834479640 HEJQVKHKRGBOEE-ZJUUUORDSA-N 304.354 -0.265 30 20 DBED C=C[C@@H](C)ONC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C 846542625 AYTBOYPROQRCRS-MRVPVSSYSA-N 304.306 -0.132 30 20 DBED C#C[C@H](C)NS(=O)(=O)CCCS(=O)(=O)Nc1cn[nH]c1 848964818 DTCVRYJHHAHQNG-VIFPVBQESA-N 320.396 -0.517 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N(C)C[C@H]1COCCO1 875598180 RWHBQNKJDRUOCT-STQMWFEESA-N 312.366 -0.595 30 20 DBED C#CCn1cc(CNS(=O)(=O)C[C@@H](COC)OC)cn1 882349273 MBIHTWWQPYRBRP-GFCCVEGCSA-N 301.368 -0.403 30 20 DBED C#CC[C@H](CO)NC(=O)NCCCN(C)S(=O)(=O)CC 914174305 PBUYMCFTPBEZBE-LLVKDONJSA-N 305.400 -0.659 30 20 DBED O=C1C[C@H](C(=O)N[C@H]2CCN(C(=O)C#CC3CC3)C2)CCN1 937822212 NIYPVAUVAZKCCE-OLZOCXBDSA-N 303.362 -0.357 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@H](NC(=O)CN2C(=O)CNC2=O)C1 938888809 TZOAOVGAIRBKCF-JTQLQIEISA-N 322.365 -0.533 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@H](CNC(=O)c2cncn2C)C1 944658372 RHYOCTMXOATJQV-GHMZBOCLSA-N 305.338 -0.463 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)C(N)=O)[C@H](C)C2)cn1 945428964 LQXKWCXXZHFJBW-ZWNOBZJWSA-N 314.345 -0.485 30 20 DBED C=CCn1cc(C(=O)N[C@H]2[C@H]3C[C@H]2N(C(=O)COC)C3)nn1 947165742 RKYCPZOEJFIAGJ-NDMJEZRESA-N 305.338 -0.560 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(NC(=O)CN2C(=O)CCC2=O)CC1 948102828 VPIZXSCFPVQSAI-JTQLQIEISA-N 320.349 -0.598 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2CCN2C(=O)c2ncn(C)n2)cn1 951376880 LAMWWFHGKHDFNK-CYBMUJFWSA-N 324.344 -0.164 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2CCN2C(=O)CC(N)=O)nc1 951378277 RIYNCMWBOCDVPQ-NSHDSACASA-N 300.318 -0.731 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H](NC(=O)c2ccc(C(N)=O)[nH]2)C1 951872059 GFRSUDUSZIUNPJ-ZJUUUORDSA-N 317.349 -0.006 30 20 DBED CN(C(=O)c1cnn(C)c1N)C1CN(C(=O)C#CC2CC2)C1 954117336 JIYJAIYSHRVBKE-UHFFFAOYSA-N 301.350 -0.302 30 20 DBED Cn1cnc2ccc(C(=O)NC[C@@H]3CN(CC#N)C[C@@H]3O)nc21 958403437 FJOVZRRKILCXCG-MFKMUULPSA-N 314.349 -0.486 30 20 DBED C#CCN1C[C@H](CNC(=O)c2c(C)c[nH]c2CC(N)=O)[C@@H](O)C1 958409262 QDRAQRYOUUCJGU-AAEUAGOBSA-N 318.377 -0.993 30 20 DBED Cc1cc(O)nc(C)c1C(=O)NC[C@H]1CN(CC#N)C[C@@H]1O 958713563 DWPMCFDCUMUDGB-RYUDHWBXSA-N 304.350 -0.050 30 20 DBED C#CCN1CC[C@H]([C@@H]2CCCN(C(=O)Cn3cnnn3)C2)C1 961104563 OYZULOPWQVHXHY-KGLIPLIRSA-N 302.382 -0.133 30 20 DBED N#Cc1cc(C(=O)NC2CC(CN[C@H]3CCNC3=O)C2)c[nH]1 961739228 DNUAPGPATPTJJV-OCTTZUBCSA-N 301.350 -0.127 30 20 DBED N#CCN1C[C@H]2[C@H](NC(=O)[C@@H]3OCC[C@@H]3Cn3cccn3)[C@H]2C1 962020618 YVRUBQNTAVQJPJ-NIFZNCRKSA-N 315.377 -0.142 30 20 DBED C#CCCN1C[C@H]2C(NC(=O)CN3C(=O)NC(=O)C3(C)C)[C@@H]2C1 962192003 KNNKESNKBPFHSH-GHMZBOCLSA-N 318.377 -0.614 30 20 DBED C#CCN1C[C@H]2C(NC(=O)c3cn([C@H]4CCOC4)nn3)[C@@H]2C1 962221347 IOIFNASQKNUQER-QJPTWQEYSA-N 301.350 -0.467 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@@H]2C1 962261253 VDZRKRRUULHRDX-ZIQFBCGOSA-N 304.350 -0.816 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)C1CCC(NCC(N)=O)CC1 963471672 NGBYCQHNCIXDEJ-NRXISQOPSA-N 320.437 -0.072 30 20 DBED CC(C)n1nccc1C(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1O 963999947 MRTQFOOPTXZXEC-LOWVWBTDSA-N 319.365 -0.075 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)c1nccnc1N 964137751 SAUQQHUJXSEBIZ-NXEZZACHSA-N 318.337 -0.824 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCCCN1C(=O)C(N)=O 964569492 TZMPATJELZKWRX-AGIUHOORSA-N 323.393 -0.050 30 20 DBED COCC(=O)N1CC2(C[C@H](NC(=O)c3cc(C#N)c[nH]3)CO2)C1 965664371 HDHDGDAYPUCDAK-NSHDSACASA-N 318.333 -0.368 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@@H](NCC(=O)N3CCC3)C2)[nH]1 968442053 MNBAWTFKNOIIKC-GFCCVEGCSA-N 301.350 -0.077 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)c2cnn3cc[nH]c23)C1 969404065 MFVFMAHOEBZCJL-IEBDPFPHSA-N 316.321 -0.876 30 20 DBED C=CCn1cc(C(=O)N[C@H](C)C2CN([C@H](CC)C(N)=O)C2)nn1 970545474 ZRKQRJAENKNGFQ-ZWNOBZJWSA-N 320.397 -0.222 30 20 DBED C#CCCN1CCO[C@]2(CCN(C(=O)[C@H]3COCCO3)C2)C1 972275411 NSLCDZROEFNAGU-GDBMZVCRSA-N 308.378 -0.272 30 20 DBED C=C(Cl)CN1CCO[C@@]2(CCN(C(=O)CC(N)=O)C2)C1 972302756 BCZMFOJELIWCSP-ZDUSSCGKSA-N 301.774 -0.082 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)Cc3ccn(C)n3)C2)C1 972382457 PWMAKTWIZDPYJM-INIZCTEOSA-N 302.378 -0.101 30 20 DBED C=CCn1cc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CCOC3)C2)nn1 973934601 BFHANJWYVJADDB-UTUOFQBUSA-N 319.365 -0.122 30 20 DBED O=C(N[C@H]1[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]21)[C@@H]1[C@H]2COC[C@H]21 977002837 ZXWDEVJDTYCVMK-WNZRACMBSA-N 300.358 -0.135 30 20 DBED C=CCN1C[C@H](NC(=O)C2CC3(C2)NC(=O)NC3=O)C(C)(C)C1 977307036 BYJUWGBBIZUIOM-CSJGVYOVSA-N 320.393 -0.013 30 20 DBED CC(C)N1CCO[C@@H](C(=O)NC[C@H]2[C@@H]3CN(CC#N)C[C@H]23)C1 978642262 ULIBYVSZDYNBPS-APIJFGDWSA-N 306.410 -0.087 30 20 DBED CC#CCN1CCCN(C(=O)[C@@H]2CCN(C)S2(=O)=O)CC1 982165397 DNRDHWCHNYWVGO-ZDUSSCGKSA-N 313.423 -0.422 30 20 DBED C#CCN[C@@H]1C[C@@H](C)N(C(=O)CCn2cc[nH]c(=O)c2=O)C1 989561493 DZHJPKQGBCNMAV-VXGBXAGGSA-N 304.350 -0.861 30 20 DBED C[C@H](C#N)C(=O)N1CC(NC(=O)c2ccc(C(N)=O)cc2)C1 991371978 CJXVEKWYKUUWNH-SECBINFHSA-N 300.318 -0.114 30 20 DBED N#CCN[C@@H]1CCC[C@@H]2CN(C(=O)C3CS(=O)(=O)C3)C[C@@H]21 992716789 WDGXZOGKEGWFED-KGYLQXTDSA-N 311.407 -0.229 30 20 DBED C=C(C)CN1CCC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)[C@H]1C 994484723 JBUJIUIWADHTGH-VXGBXAGGSA-N 320.397 -0.078 30 20 DBED CN1CC[C@H](C(=O)NC2CN(C(=O)c3ccc(C#N)[nH]3)C2)C1=O 997917281 PURMDHWWDVKQGL-LLVKDONJSA-N 315.333 -0.695 30 20 DBED N#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)C(N)=O)[nH]1 999867234 UXQFXTRMPLCXNK-MIMYLULJSA-N 301.306 -0.767 30 20 DBED C[C@@H](C#N)C(=O)N1CC(CNC(=O)c2cnc3[nH]nnc3c2)C1 1002618339 XHLXSYXLTYIKMZ-QMMMGPOBSA-N 313.321 -0.299 30 20 DBED COc1ncc(C(=O)NCC2CN(C(=O)[C@@H](C)C#N)C2)cn1 1004079196 YXMQNTMXFSIJEB-VIFPVBQESA-N 303.322 -0.167 30 20 DBED C[C@@H](NC(=O)[C@@H]1CNC(=O)N1)C1CN(C(=O)C#CC2CC2)C1 1006750674 VURCNMOSLXPHJA-SKDRFNHKSA-N 304.350 -0.956 30 20 DBED C=C(C)CN1CCC[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 1008730183 OQQPKYYHLOCRHH-GFCCVEGCSA-N 320.393 -0.146 30 20 DBED C=CC(C)(C)C(=O)N1CCN(C(=O)C2CS(=O)(=O)C2)CC1 1011180993 NEMNTGCELABAEE-UHFFFAOYSA-N 314.407 -0.086 30 20 DBED CCn1nnc(C)c1C(=O)NC1[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]12 1013227018 RNKDPLPRMOVMGU-JMJZKYOTSA-N 316.365 -0.047 30 20 DBED N#CCN[C@H]1C[C@@H](NC(=O)c2ccccc2OCC(N)=O)C1 1022393102 BRPLXMZQODDJHC-PHIMTYICSA-N 302.334 -0.075 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CCN(C(=O)CCc3cnn[nH]3)[C@@H]2C1 1022745099 MBKXWERTURLBFY-GMXVVIOVSA-N 316.365 -0.044 30 20 DBED CCc1cc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2O)n[nH]1 1023092012 ZWMQMFAEGSHAJQ-GGZOMVNGSA-N 305.338 -0.567 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@@H](CN[C@H]3CCNC3=O)C2)[nH]1 1026788720 MFRDRTJVNUKDSE-JQWIXIFHSA-N 301.350 -0.173 30 20 DBED CN(CC#N)[C@@H]1CCCN(C(=O)CN2C(=O)NC(=O)C2(C)C)C1 1027641813 NWLSVKFAFOYXCO-LLVKDONJSA-N 321.381 -0.237 30 20 DBED N#CCN1CC[C@@H](CNC(=O)c2ccc(S(N)(=O)=O)o2)C1 1028659509 UICZAZSABSXTEH-VIFPVBQESA-N 312.351 -0.498 30 20 DBED C=CCn1cc(C(=O)NC2CN([C@@H]3CCN(C)C3=O)C2)nn1 1031069799 ZWDPRFGKGLYJCZ-GFCCVEGCSA-N 304.354 -0.891 30 20 DBED C=C(Cl)CN1CC[C@H](N(C)C(=O)CN2CCNC(=O)C2)C1 1033327012 FXNJFYBMSABTGL-LBPRGKRZSA-N 314.817 -0.297 30 20 DBED C#CCCN1CCO[C@H](CNC(=O)c2cn(C)ccc2=O)C1 1035440730 RYVFTIJVHAMTKD-CYBMUJFWSA-N 303.362 -0.161 30 20 DBED C#CCN[C@@H]1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)C[C@H]1C 1036203022 MPBFPOQVQSRQIL-DGCLKSJQSA-N 318.377 -0.843 30 20 DBED Cn1nnc(CN2C[C@H]3C[C@H]2[C@@H]3NC(=O)c2c[nH]c(C#N)c2)n1 1037370948 JMFBNMHXJOEFLB-SUZMYJTESA-N 312.337 -0.587 30 20 DBED CC#CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)c1ccc(S(N)(=O)=O)o1 1037490746 QWROVMQOJCZPPW-NRUUGDAUSA-N 323.374 -0.247 30 20 DBED C=CCN1[C@H]2CCC[C@H]1CN(C(=O)Cn1ncn(C)c1=O)C2 1039706478 AURLXEHPSGBCRI-STQMWFEESA-N 305.382 -0.167 30 20 DBED Cn1cc(C(=O)N[C@@H]2CN(c3ncccc3C#N)C[C@H]2O)cn1 1040939539 UJTXOMZYODVECT-CHWSQXEVSA-N 312.333 -0.334 30 20 DBED C#Cc1ccc(C(=O)N2CC(O)(CNC(=O)COC)C2)cn1 1041153876 BFWZJWWFOWGKBJ-UHFFFAOYSA-N 303.318 -0.988 30 20 DBED COCCn1cc(C(=O)N2CC[C@]3(CCN(CC#N)C3)C2)nn1 1041273666 ORXPNUVRVSFNJZ-HNNXBMFYSA-N 318.381 -0.014 30 20 DBED Cc1cc(=NC[C@@H]2CN(C(=O)C(N)=O)CCCO2)c(C#N)c[nH]1 1041525901 RTPNAEGRMIKNGF-GFCCVEGCSA-N 317.349 -0.802 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(O)(CNC(=O)[C@H](C)COC)C1 1042022976 IBCANQFZWWCOBD-RISCZKNCSA-N 314.382 -0.715 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)c2ocnc2CC)C1 1042053084 ZQKIRMSMYIZJRO-UHFFFAOYSA-N 323.349 -0.257 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2ncc[nH]2)C1 1042941012 SVIFFYDEYCRYLN-JTQLQIEISA-N 308.338 -0.696 30 20 DBED N#Cc1nccnc1N1C[C@H](O)[C@H](NC(=O)CN2CCCC2)C1 1043971904 QALQBINTUXFXNR-OLZOCXBDSA-N 316.365 -0.890 30 20 DBED C#CCCCCCC(=O)NCC1(O)CN(C(=O)c2cnn[nH]2)C1 1044484869 RRCOPMAXKPMDDU-UHFFFAOYSA-N 319.365 -0.309 30 20 DBED C=C(C)C[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2cnon2)C1 1045196959 IDCJMCUGQCHAGT-SNVBAGLBSA-N 308.338 -0.025 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)C2(C(F)F)CC2)C1 1045545725 AZJGYZFAQJNLTK-MRVPVSSYSA-N 301.293 -0.119 30 20 DBED Cc1noc(C(=O)N2CC(O)(CNC(=O)[C@H](C)C#N)C2)c1C 1045554619 HAFDKNRJUCDSIK-MRVPVSSYSA-N 306.322 -0.246 30 20 DBED COCCC[C@@H](C)C(=O)NCC1(O)CN(C(=O)[C@H](C)C#N)C1 1046585549 UUTDEKULNAEVSS-VXGBXAGGSA-N 311.382 -0.102 30 20 DBED C=CCN1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 1046968515 IHJYIWGSOXMHRO-ZJUUUORDSA-N 302.325 -0.073 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3nn[nH]c3n2)C1 1047402424 UKZAJJGWTXZYMI-RYUDHWBXSA-N 300.322 -0.897 30 20 DBED COCCn1ccc(C(=O)N(C)[C@H]2CN(CC#N)C[C@@H]2O)n1 1047452915 HVGBDYVHIVKDNO-STQMWFEESA-N 307.354 -0.830 30 20 DBED C[C@@H]1CCN(C(=O)CC(N)=O)[C@H](CN=c2cc[nH]c(C#N)n2)C1 1048101018 FHJONDSWDIAJQH-MNOVXSKESA-N 316.365 -0.315 30 20 DBED N#CCN1CCOC[C@H]1CNC(=O)c1cncc2nc[nH]c12 1050928166 AWDNYIIEFLJMEV-SNVBAGLBSA-N 300.322 -0.088 30 20 DBED C#Cc1cncc(C(=O)NC[C@H]2COCCN2CCCO)c1 1051108071 YOHWWNKVGBADJK-HNNXBMFYSA-N 303.362 -0.124 30 20 DBED N#CCN1CCN([C@H]2CCN(C(=O)[C@@H]3CCNC(=O)C3)C2)CC1 1052011117 NBTVAZMUTZJUBB-KGLIPLIRSA-N 319.409 -0.745 30 20 DBED C#CCN1CCN([C@@H]2CCN(C(=O)[C@H]3CCC(=O)NC3)C2)CC1 1052048267 PORYRRXTIBZICO-LSDHHAIUSA-N 318.421 -0.636 30 20 DBED CC(=O)N1CCOC[C@@H]1C(=O)N[C@@H]1CCCN(CC#N)CC1 1052946744 COJIPGPORBDFKY-ZIAGYGMSSA-N 308.382 -0.272 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)[C@H]3CCCNC3=O)CO2)C1 1053836327 VOPOMVFVOPMDQC-OLZOCXBDSA-N 305.378 -0.505 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@](CO)(NC(=O)c2cocn2)C1 1055834693 ZAEWDBHPOSAETM-YGRLFVJLSA-N 306.322 -0.082 30 20 DBED CN1CC[C@@H](C(=O)N2CCN(c3cncc(C#N)n3)CC2)C1=O 1055973569 OFTQYELOKIQCKL-GFCCVEGCSA-N 314.349 -0.525 30 20 DBED N#Cc1ccc(N2C[C@H]3[C@H](NC(=O)[C@@]45COC[C@@H]4C5)[C@H]3C2)nn1 1056450979 JOOPBLFYBSTJFN-VTTVJMOASA-N 311.345 -0.064 30 20 DBED C=CCCOCC(=O)NCCN(CCO)C(=O)CCCOC 1057081149 HGSLDLVDLSSRSR-UHFFFAOYSA-N 316.398 -0.057 30 20 DBED Cc1ncc(C(=O)N(CCO)CCNC(=O)C#CC(C)C)[nH]1 1057206168 HIXPMLMMZGRITF-UHFFFAOYSA-N 306.366 -0.072 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)[C@H]1CCCC(=O)N1 1057524853 UECNMLNJCZTVGS-CYBMUJFWSA-N 323.393 -0.748 30 20 DBED O=C(NCCN(CCO)C(=O)C#CC1CC1)C1=CCOCC1 1057531504 QZPLRFMEQKOXKX-UHFFFAOYSA-N 306.362 -0.316 30 20 DBED N#Cc1cnc(N2CCC(NC(=O)[C@H]3C[C@H]3C(N)=O)CC2)cn1 1057944182 IKJCHHJEVYRQMP-NEPJUHHUSA-N 314.349 -0.445 30 20 DBED N#Cc1cncc(N[C@H]2CCN(C(=O)[C@@H]3CCCNC3=O)C2)n1 1058984947 CQVABPGKFGLAJL-CMPLNLGQSA-N 314.349 -0.113 30 20 DBED C[C@]1(C(=O)N2CC[C@H](Nc3nccnc3C#N)C2)CCNC1=O 1059063328 WKLUBHWDIUGYBU-BONVTDFDSA-N 314.349 -0.113 30 20 DBED C#CCO[C@H](C)C(=O)N1CCOC[C@@H]1CNC(=O)C(F)F 1061177529 GYCMGAQGVIZDRS-ZJUUUORDSA-N 304.293 -0.367 30 20 DBED N#Cc1ccc(N2C[C@@H]3C[C@H]2CN3C(=O)Cn2cnnn2)nc1 1062447615 IXFGDCKVPAUKGN-RYUDHWBXSA-N 310.321 -0.571 30 20 DBED Cc1cc(C#N)nc(N2C[C@@H]3C[C@H]2CN3C(=O)c2ncn(C)n2)n1 1062486719 WLLLRHLPKGEWKZ-RYUDHWBXSA-N 324.348 -0.112 30 20 DBED CN(C(=O)Cn1ncnn1)[C@H]1CCN(c2ccc(C#N)cn2)C1 1062980360 KQKSCRCZIFSABJ-LBPRGKRZSA-N 312.337 -0.323 30 20 DBED C=CCCC(=O)N1CCO[C@@H](CNC(=O)[C@@H]2CCC(=O)N2C)C1 1064959080 GNDOVQYTSROPAL-STQMWFEESA-N 323.393 -0.083 30 20 DBED C=CCOCC(=O)N1CCO[C@H](CNC(=O)C2=CCOCC2)C1 1064970036 JHJFKLFSQKEHTF-CQSZACIVSA-N 324.377 -0.121 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)c2ncn(C)n2)CCO1 1065116497 WFQDUVUOUZEPHY-GFCCVEGCSA-N 319.365 -0.568 30 20 DBED CC(C)C#CC(=O)N1CCO[C@H](CNC(=O)c2cn(C)nn2)C1 1065128575 FKAXTULOFYFEEZ-GFCCVEGCSA-N 319.365 -0.568 30 20 DBED CC(C)C#CC(=O)N1CCO[C@@H](CNC(=O)Cc2nc[nH]n2)C1 1065128885 KHJVNOFUXJCLAL-LBPRGKRZSA-N 319.365 -0.650 30 20 DBED N#Cc1cnc(N2C[C@H]3CN(C(=O)CC(N)=O)C[C@H]3C2)c(F)c1 1065979794 KQFQJFWBKSUUFD-PHIMTYICSA-N 317.324 -0.138 30 20 DBED Cc1cc(C#N)nc(N[C@H]2CN(C(=O)CC(N)=O)C[C@H]2C)n1 1067063316 VWTWRILFERDYHA-KCJUWKMLSA-N 302.338 -0.209 30 20 DBED C[C@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1N=c1cc[nH]cc1C#N 1067177294 ZACUOHOMDFBZRH-JOYOIKCWSA-N 312.337 -0.529 30 20 DBED N#Cc1cncc(N2C[C@@H](O)[C@@H](CNC(=O)c3cc[nH]c3)C2)n1 1067696586 WBTOPPKMGRVWDZ-WCQYABFASA-N 312.333 -0.097 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CCC2(CN(C(=O)c3nc[nH]n3)C2)O1 1068621216 XDGQRYPAXUPNDE-NXEZZACHSA-N 318.337 -0.546 30 20 DBED C#CCOCCC(=O)N[C@@H]1COC2(C1)CN(C(=O)[C@@H](C)C#N)C2 1068868379 NGFVZRFHVYKZSK-STQMWFEESA-N 319.361 -0.328 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1COC2(C1)CN(C(=O)c1cnsn1)C2 1069002907 IRDCQQZVDMICSQ-RKDXNWHRSA-N 321.362 -0.203 30 20 DBED CCC1(NC(=O)CNC(N)=O)CCN(C(=O)[C@H](C)C#N)CC1 1069582431 FXJXRHZRHBRMJR-SNVBAGLBSA-N 309.370 -0.298 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2ncn(C)n2)C1 1069920209 ATHLGRBADCMFQZ-MNOVXSKESA-N 302.342 -0.752 30 20 DBED N#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2cc(F)c[nH]2)C1 1069981464 FHPKEJZIEYZFPC-NEPJUHHUSA-N 303.301 -0.076 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)c2cc[nH]n2)CCOCC1 1070002032 AIWLTLPIOZJSNN-JTQLQIEISA-N 305.338 -0.035 30 20 DBED C=CCN[C@@H]1CN(C(=O)[C@H]2CC(=O)N(C)C2)C[C@@H]1n1ccnn1 1070204502 AAAQMJWLHGYWOJ-XQQFMLRXSA-N 318.381 -0.716 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@H]2COC(=O)N2)C[C@H]1c1cncn1C 1070643340 XHUWDWFNOXPPGT-IJLUTSLNSA-N 317.349 -0.954 30 20 DBED C#CCN1CCN([C@@H]2CCCN(C(=O)c3cn[nH]c3)C2)C(=O)C1 1071253528 NKGBWVWEBHHPHF-CQSZACIVSA-N 315.377 -0.208 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(C(=O)CSC)C[C@H]1C 1071543161 UTRYOLBOFYDUML-GHMZBOCLSA-N 311.407 -0.548 30 20 DBED CC#CCCCC(=O)N[C@@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1C 1071555298 BDFHTVIBDJGONC-QWHCGFSZSA-N 318.381 -0.170 30 20 DBED C[C@H]1CN(C(=O)CSCC#N)C[C@@H]1NC(=O)c1cn(C)nn1 1071662425 VEFSBUICTXBZFA-UWVGGRQHSA-N 322.394 -0.351 30 20 DBED C#CCCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)CCNC(N)=O)C1 1071991269 ICBNCFQRCPQVHV-NEPJUHHUSA-N 308.382 -0.189 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(C(=O)Cn2ncnn2)C[C@H]1C 1073817013 IZTRYSQJPUUJEK-NEPJUHHUSA-N 322.369 -0.771 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)c2nc3ncccn3n2)C1 1073824742 WKEQNVPBKSOBEH-LBPRGKRZSA-N 314.349 -0.422 30 20 DBED CC(=O)NCC(=O)NCC1(O)CCN(C(=O)C#CC2CC2)CC1 1074581308 SCGGSBLKSOWNRZ-UHFFFAOYSA-N 321.377 -0.994 30 20 DBED C=CCOCC(=O)N1CC[C@@H](NC(=O)Cn2cncn2)C[C@@H]1C 1075203446 FPAZEPUDCVAARH-QWHCGFSZSA-N 321.381 -0.024 30 20 DBED C[C@@H](CCNC(=O)CSCC#N)NC(=O)C1(C(N)=O)CC1 1075678200 PXZXOAIDWPOUGV-VIFPVBQESA-N 312.395 -0.480 30 20 DBED Cc1nnc(CN2C[C@@H](O)[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)o1 1076855689 HXMPZEXONPOGNK-VXGBXAGGSA-N 316.321 -0.447 30 20 DBED C=CCO[C@H](C)C(=O)NCC[C@H](C)NC(=O)Cn1cncn1 1077067982 PTDLWAWYAGZUEQ-NWDGAFQWSA-N 309.370 -0.120 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2cc(Br)n[nH]2)C1 1077081729 HPZYADHOJAIBTG-HTQZYQBOSA-N 314.143 -0.529 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN([C@H]3CCCNC3=O)C[C@H]2O)C1 1077641914 NSAXLYJAISVMLV-FRRDWIJNSA-N 307.394 -0.217 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2c[nH]nc2-c2cnn(C)c2)C1 1077981348 JSNKJGAFRPRJPW-CHWSQXEVSA-N 314.349 -0.782 30 20 DBED C#CCN[C@H]1C[C@H](NC(=O)CN2CCOCC2=O)C12CCC2 1078648438 ZRDMIDRSVLLJDX-STQMWFEESA-N 305.378 -0.505 30 20 DBED C#CCN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)Cn1ccc(O)nc1=O)C2 1078991356 XURKEEDURLJECC-JHJVBQTASA-N 316.361 -0.449 30 20 DBED CCN(C(=O)C#CC1CC1)C1CN(C(=O)Cn2cnnc2O)C1 1079737033 UJIYVBSSYZYQRP-UHFFFAOYSA-N 317.349 -0.544 30 20 DBED CCN(C(=O)C#CC1CC1)C1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 1079739286 NYZCTJXCQJPBKD-OLZOCXBDSA-N 303.362 -0.420 30 20 DBED C#CCOCCC(=O)N(CC)C1CN(C(=O)Cn2nccn2)C1 1079773604 RJMNAQUPQJTQMU-UHFFFAOYSA-N 319.365 -0.623 30 20 DBED CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)CCNC(=O)NC)C1 1080413357 WVVHIVOYFODFBE-JTQLQIEISA-N 309.370 -0.476 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)Cn2cncn2)C1 1080585254 MCPMXUMWILWVFX-LBPRGKRZSA-N 319.365 -0.624 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1O 1081464327 YDMJJTDSXYXPNG-DGCLKSJQSA-N 319.365 -0.976 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)c2ccnnc2)C[C@@H]1O 1081465100 BIDYKKHDQPVQSU-KGLIPLIRSA-N 316.361 -0.315 30 20 DBED Cc1nocc1C(=O)N1C[C@H](O)[C@H](CNC(=O)C#CC2CC2)C1 1081472193 WKWROIDFXHSVAY-OCCSQVGLSA-N 317.345 -0.054 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CCCCN1C(=O)[C@@H]1CCC(=O)N1 1082193385 BTZYJSHXTPKSHB-SRVKXCTJSA-N 306.366 -0.078 30 20 DBED CO[C@H]1C[C@H](C(=O)N2C[C@@H](NCC#N)[C@H](C)C2)N(C(C)=O)C1 1082666881 QTNRMBNGYITAIV-YXCITZCRSA-N 308.382 -0.418 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cnn(CCOC)c1 1083261709 IQVHQUVMCICENR-LSDHHAIUSA-N 318.377 -0.312 30 20 DBED CC#CCN1CC[C@@H]2CN(C(=O)c3cnc(O)n(C)c3=O)[C@@H]2C1 1084570316 FBIDGNLWLZNPHF-DGCLKSJQSA-N 316.361 -0.345 30 20 DBED C=CCCn1cc(C(=O)NC[C@H]2C[C@H](NCC(N)=O)C2)nn1 1086501838 WHCCJMJSOWUTJA-XYPYZODXSA-N 306.370 -0.563 30 20 DBED C#CCCN1CC[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)[C@H]1CC 1087606517 BMCUXQZFZRNEIN-SDDRHHMPSA-N 306.366 -0.423 30 20 DBED COc1cnc(C(=O)N[C@H]2CCN(CC#N)C[C@H]2O)c(F)c1 1090312762 LHZOUXHRDBDKBI-NWDGAFQWSA-N 308.313 -0.082 30 20 DBED N#CCN1CC[C@H](NC(=O)c2cn(CC3CC3)nn2)[C@H](O)C1 1090682282 JYRCJTCWVWIKDY-WCQYABFASA-N 304.354 -0.623 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2cn(CC3CC3)nn2)[C@H](O)C1 1090684220 WHMIWRUZIMVGTD-DZGCQCFKSA-N 317.393 -0.124 30 20 DBED COC(=O)NCC(=O)N1C[C@@H](N=c2cc[nH]c(C#N)n2)[C@H](C)C1 1090961427 CIOXEIJAXBCTFY-NXEZZACHSA-N 318.337 -0.615 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCN(c2ncc(F)cn2)C[C@@H]1O 1092163713 GANRNLANZDEZEY-OLZOCXBDSA-N 322.340 -0.289 30 20 DBED CC(=O)NCC(=O)NCC1CC(N=c2cc[nH]cc2C#N)C1 1092185774 ALKFVVKDQZRICQ-UHFFFAOYSA-N 301.350 -0.182 30 20 DBED N#CCNC1CCC2(CC1)CN(C(=O)Cn1cnnn1)CCO2 1093390539 QTJFMRGVTAVSGY-UHFFFAOYSA-N 319.369 -0.674 30 20 DBED N#CCN1CC[C@@]2(CNC(=O)c3nnc(O)nc3O)CCC[C@@H]12 1094461061 KRHCOVCHCCKKTB-YMTOWFKASA-N 318.337 -0.219 30 20 DBED N#Cc1ccc(NCCCNC(=O)[C@H]2CC[C@H]2C(N)=O)nn1 1094704004 UEQHESXEOKQYHW-MNOVXSKESA-N 302.338 -0.222 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)[C@]3(C)CCC(=O)N3)CC2=O)C1 1094777433 UODUPCXWLQFFQF-BZNIZROVSA-N 320.393 -0.758 30 20 DBED N#Cc1ccc(N2CCC(NC(=O)CNC(N)=O)CC2)nn1 1095388346 DHXVQJTZEZPRDE-UHFFFAOYSA-N 303.326 -0.898 30 20 DBED CN(CCCNC(=O)C[C@H]1CCNC1=O)c1cnc(C#N)cn1 1095654844 IYQMGTAISZGIIQ-LLVKDONJSA-N 316.365 -0.183 30 20 DBED C=CCCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN1CC(=O)NC1=O 1096187272 GSICOXILXOSYDA-WOPDTQHZSA-N 306.366 -0.164 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H]1CN(C(C)=O)CCO1 1096462477 VBLIFCRZDSLULV-QPSCCSFWSA-N 305.378 -0.412 30 20 DBED Cn1cc(C(=O)NC[C@@H](N=c2cc[nH]c(C#N)n2)C2CC2)nn1 1096640152 YWXGZPGXPFGSDM-SNVBAGLBSA-N 312.337 -0.481 30 20 DBED C[C@H](NC(N)=O)C(=O)N[C@H]1C[C@H](N=c2cc[nH]cc2C#N)C1 1097013582 FHTFKQYUMNZNFY-LSJOCFKGSA-N 302.338 -0.509 30 20 DBED CNS(=O)(=O)CC(=O)N[C@H]1C[C@H](Nc2ncccc2C#N)C1 1097032822 RAOWRGVDYDXDPJ-XYPYZODXSA-N 323.378 -0.438 30 20 DBED N#Cc1cncc(N2CCC[C@@H](CNC(=O)CC(N)=O)C2)n1 1097289258 IVCOUFTYSRKTMH-JTQLQIEISA-N 302.338 -0.444 30 20 DBED C[C@H](CNC(=O)c1cn(C)c(=O)cn1)N=c1cc[nH]c(C#N)n1 1098428434 BNUPDTGEHOFIFN-SECBINFHSA-N 313.321 -0.906 30 20 DBED C#CCNCc1cn([C@@H]2CCN(C(=O)[C@H]3CCOC3)C2)nn1 1098633966 NTOZIWJAKCJXAL-GXTWGEPZSA-N 303.366 -0.189 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)Cn2cccn2)[C@H](O)C1 1099662756 CWKYOQURGDMFNF-ZIAGYGMSSA-N 306.366 -0.916 30 20 DBED CCCCCC(=O)N[C@@H]1CCN(CC(=O)NCC#N)C[C@H]1O 1099675626 OZLZFHRLXCYXNI-CHWSQXEVSA-N 310.398 -0.242 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)CCC2CCC2)[C@@H](O)C1 1099776473 SNRADBRVPBTICM-GJZGRUSLSA-N 321.421 -0.133 30 20 DBED CC(C)C#CC(=O)N[C@H]1CCN(Cc2cnn(C)n2)C[C@H]1O 1099820664 JBFCSXJROMKPRT-UONOGXRCSA-N 305.382 -0.474 30 20 DBED CC(C)(C)CC(=O)NCC(=O)N[C@@H]1CCN(CC#N)C[C@@H]1O 1100119183 GEEDQGMBQCKMCR-NEPJUHHUSA-N 310.398 -0.386 30 20 DBED CCN(CCNC(=O)Cc1n[nH]c(C)n1)c1nccnc1C#N 1100524416 XWQZNZOTMINBGH-UHFFFAOYSA-N 314.353 -0.040 30 20 DBED CCN(CCNC(=O)C[C@H]1CCNC1=O)c1cnc(C#N)cn1 1100635144 CNKKHMWFTQJJKQ-LLVKDONJSA-N 316.365 -0.183 30 20 DBED N#CCNC(=O)CNC1CC(CNC(=O)Cc2ccco2)C1 1100776077 VVZVSVBZXOMIEP-UHFFFAOYSA-N 304.350 -0.054 30 20 DBED CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CCCN1c1ccc(C#N)nn1 1100776665 NVNGFGHPQTYYNK-GWCFXTLKSA-N 316.365 -0.042 30 20 DBED C#CCCNC1CC(CNC(=O)[C@H]2CN(C(C)=O)CCO2)C1 1100928592 PRGIVYPTNLEWNR-YMAMQOFZSA-N 307.394 -0.259 30 20 DBED C=CCCOCC(=O)NCC1CC(NCc2nnn(C)n2)C1 1101053123 JGOZELVGQBSANF-UHFFFAOYSA-N 308.386 -0.213 30 20 DBED CCCN(CCNC(=O)[C@@H]1CNC(=O)N1)c1ccncc1C#N 1101235631 ASQLVWOHMWEAHM-LBPRGKRZSA-N 316.365 -0.033 30 20 DBED CC(C)N(CCCNC(=O)CNC(N)=O)c1ccc(C#N)nn1 1102077034 AMGCMUHUSDCMAG-UHFFFAOYSA-N 319.369 -0.262 30 20 DBED CNC(=O)NCC(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(C#N)nc1 1102575457 ZQFZWKFAEWJORH-STQMWFEESA-N 314.349 -0.328 30 20 DBED N#Cc1nccc(N2CCC[C@@H](CCNC(=O)CC(N)=O)C2)n1 1102905488 CMSCISNVEMNFHP-NSHDSACASA-N 316.365 -0.054 30 20 DBED CC[C@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)Nc1ccc(C#N)nn1 1103305572 HAHVARVWRHXOQU-IEBDPFPHSA-N 302.338 -0.224 30 20 DBED C[C@@H]1CCCC[C@]1(CN=c1cc[nH]c(C#N)n1)NC(=O)C(N)=O 1103606842 CGJLACIBJJKNMH-MEBBXXQBSA-N 316.365 -0.268 30 20 DBED C[C@H](CNC(=O)[C@H]1COC(=O)N1)CNc1ccc(C#N)nn1 1103945238 NEQVKIANRHEFAI-WCBMZHEXSA-N 304.310 -0.379 30 20 DBED COC[C@@H](C)C(=O)N1C[C@@H](C)[C@H](CCNCC(=O)NCC#N)C1 1103986899 JHXXEYAKXQOGKH-MGPQQGTHSA-N 324.425 -0.017 30 20 DBED CO[C@@H](C)C(=O)NC[C@H]1CN(c2ccc(C#N)nn2)CCO1 1104293549 XBMCLVGKDQRJSE-JQWIXIFHSA-N 305.338 -0.295 30 20 DBED C[C@@H](CNc1nccnc1C#N)N(C)C(=O)[C@@H]1COCCN1C 1104527105 LDASWCWBCPQGNG-AAEUAGOBSA-N 318.381 -0.062 30 20 DBED C[C@H](CNc1nccnc1C#N)N(C)C(=O)C1CS(=O)(=O)C1 1104698022 MSQVTXFPCCDIDD-SECBINFHSA-N 323.378 -0.348 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)CCc1cnn[nH]1 1104817560 LNWUXBRZWWVDBN-JTQLQIEISA-N 314.353 -0.220 30 20 DBED C[C@@H]1CN(C(=O)CNC(N)=O)CC[C@H]1N=c1cc[nH]cc1C#N 1105029540 DGZOPGUUKMUENQ-ZYHUDNBSSA-N 316.365 -0.308 30 20 DBED C#CCNCc1cn(C2CN(C(=O)[C@@]3(C)CCOC3)C2)nn1 1105350212 YOBVXVPKSZFMCQ-HNNXBMFYSA-N 303.366 -0.189 30 20 DBED CN(CCN(C)c1ncccc1C#N)C(=O)[C@H]1COC(=O)N1 1105393000 GCXZJVQLCQQZDS-LLVKDONJSA-N 303.322 -0.044 30 20 DBED N#Cc1nc(=NC[C@@H](O)CNC(=O)[C@H]2CCCOC2)cc[nH]1 1105741392 FKHAHLYWWMLCGC-WDEREUQCSA-N 305.338 -0.914 30 20 DBED N#CCSCC(=O)NC[C@@H](O)CN=c1cc[nH]cc1C#N 1105753866 CIWSPZTVOJFRGG-NSHDSACASA-N 305.363 -0.479 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H](O)CNC(=O)[C@@H]1CCCCO1 1105819877 NFNWUPLTMZCDFK-JSGCOSHPSA-N 304.350 -0.167 30 20 DBED Cc1nn[nH]c1C(=O)NC[C@H](O)CNc1ccc(C#N)nc1 1106035236 GITRKOAWHRTHHT-LLVKDONJSA-N 301.310 -0.417 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](O)CNc1cnc(C#N)cn1 1106124760 ARUOTNGULGRKFD-UPJWGTAASA-N 317.349 -0.172 30 20 DBED CN(CC(=O)NC[C@@H](O)CN=c1cc[nH]cc1C#N)C1CCC1 1106154983 QUVYUNJKWCWSBI-AWEZNQCLSA-N 317.393 -0.252 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)[C@H]1CCNC1=O 1106910290 XUDZJRCADAXGSE-JTQLQIEISA-N 302.338 -0.833 30 20 DBED CC#CCN1CC(n2cc(CNC(=O)[C@@H](C)NC(C)=O)nn2)C1 1107119935 PHUANBMILONVFL-LLVKDONJSA-N 318.381 -0.701 30 20 DBED Cc1nonc1CC(=O)N[C@H](C)CN=c1cc[nH]c(C#N)n1 1107907003 PMSBCMAGNXFJTI-MRVPVSSYSA-N 301.310 -0.379 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)C[C@H]1CCC(=O)NC1 1107969377 XTMLKVLUACMVSQ-GHMZBOCLSA-N 316.365 -0.397 30 20 DBED C[C@H](CNc1ncccc1C#N)NC(=O)CN1CCNC(=O)C1 1108062013 FLVQXABQKJYUOM-LLVKDONJSA-N 316.365 -0.698 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)[C@]1(C)CCNC(=O)C1 1108188981 LOBADQUCIDYMRG-MEBBXXQBSA-N 316.365 -0.397 30 20 DBED CC#CCN1CCO[C@](C)(CNC(=O)C[C@H]2CCC(=O)N2)C1 1108276777 SWVSRRZMQMXINX-CZUORRHYSA-N 307.394 -0.115 30 20 DBED C[C@@H](CNc1ccc(C#N)nn1)NC(=O)c1cn(C)c(=O)n1C 1108412713 WQWZWGTYUNSXLG-VIFPVBQESA-N 315.337 -0.384 30 20 DBED N#CCN1CC(N2C[C@@H](NC(=O)CCC(F)F)CC2=O)C1 1108557093 RFTUNFLDZWSTHW-VIFPVBQESA-N 300.309 -0.043 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)c1ccn2nnnc2c1 1108652813 PNYLCLZNZCZWPL-VIFPVBQESA-N 323.320 -0.562 30 20 DBED C[C@@H](CN(C)c1cncc(C#N)n1)NC(=O)C1(C(N)=O)CC1 1109217900 UHRNSVFBYFEYSF-VIFPVBQESA-N 302.338 -0.445 30 20 DBED N#Cc1nccc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)CCCC(N)=O)n1 1109711336 DJYOHKBGEYXEDO-HFBDOXOYSA-N 314.349 -0.303 30 20 DBED N#Cc1cncc(NC[C@@H](NC(=O)CCNC(N)=O)C2CC2)n1 1109849960 JHZKGLQBDUXZOQ-LLVKDONJSA-N 317.353 -0.287 30 20 DBED C[C@@]1(C(=O)NCC2(Nc3nccnc3C#N)CC2)CNC(=O)C1 1110287419 CCLIJEOPGIISQE-AWEZNQCLSA-N 314.349 -0.065 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1nnn(C)n1 1110500604 GTRGTOBLWCYVNR-FJJYHAOUSA-N 320.397 -0.241 30 20 DBED N#Cc1cncc(NC[C@@H](NC(=O)C(N)=O)C2CCCC2)n1 1110679469 RHRQAXUUMZJGRM-LLVKDONJSA-N 302.338 -0.080 30 20 DBED N#Cc1nccnc1NCCN(CCO)C(=O)c1cnns1 1111425201 ABKFIGNEZBUMBV-UHFFFAOYSA-N 319.350 -0.254 30 20 DBED CCN(C)CCC(=O)N(CCO)CCNc1cncc(C#N)n1 1111506835 FFTBQZWMRGOSHM-UHFFFAOYSA-N 320.397 -0.077 30 20 DBED CCN(CCC#N)C(=O)CN1CCN(C(=O)CNC(C)=O)CC1 1112598546 PMLGNFPAEUWPAZ-UHFFFAOYSA-N 323.397 -0.971 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)[C@@H]2COCCO2)CC1 1112620737 MUTULYVZBBLIMY-OLZOCXBDSA-N 311.382 -0.763 30 20 DBED Cc1nsc(N2C[C@@H](O)[C@@H](CNC(=O)CC(N)=O)C2)c1C#N 1112724834 FKLIMCAZOGFTTF-WCBMZHEXSA-N 323.378 -0.888 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN([C@H](C)C(N)=O)CC1 1113410041 KYZSPKXMNCWCKW-DGCLKSJQSA-N 310.398 -0.525 30 20 DBED C[C@H](CNC(=O)[C@H]1CCC(=O)N1)N(C)c1nccnc1C#N 1113543001 MFQQHFWSBGXJOF-NXEZZACHSA-N 302.338 -0.432 30 20 DBED C[C@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)N(C)c1cnc(C#N)cn1 1113802215 JVWWPLGCCASIAW-KOLCDFICSA-N 317.353 -0.687 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)CCn3cncn3)[C@@H]2C1 1113870299 FNOQOICDFSDTOQ-VXGBXAGGSA-N 318.381 -0.983 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)c3coc(C)n3)[C@H]2C1 1114174379 RWDJPLREPDYLIA-WUWHUORYSA-N 316.361 -0.219 30 20 DBED O=C(C#CC1CC1)N[C@H]1[C@@H]2CN(CC(=O)N3CCOCC3)C[C@@H]21 1114252823 CQSWLCWUFIADMA-HALDLXJZSA-N 317.389 -0.695 30 20 DBED C#CCO[C@H](C)C(=O)NC1[C@@H]2CN(Cc3nc(O)n[nH]3)C[C@@H]12 1114271617 YHWPBIKQZWCWSA-OPRDCNLKSA-N 305.338 -0.905 30 20 DBED C=CCOCCN1C[C@H]2[C@H](NC(=O)C(=O)NCC3CC3)[C@H]2C1 1115036271 QDPZPPUMQAFRTN-WDNDVIMCSA-N 307.394 -0.238 30 20 DBED N#CCN1C[C@H]2[C@H](NC(=O)CCNC(=O)c3cnccn3)[C@H]2C1 1115261591 UCZGAMLGFNUZFF-YABSGUDNSA-N 314.349 -0.834 30 20 DBED C=CCN(C)C(=O)C(=O)NC1CCN(S(=O)(=O)CC)CC1 1117125539 YULZZCDVAPMLLH-UHFFFAOYSA-N 317.411 -0.439 30 20 DBED C[C@@H](CN(C)C(=O)[C@H]1CNC(=O)N1)Nc1ccc(C#N)nn1 1120633915 IYMWIRKTPWPCTQ-WCBMZHEXSA-N 303.326 -0.712 30 20 DBED CNC(=O)NC(=O)CNC1CC2(C1)CC(NC(=O)[C@H](C)C#N)C2 1120840392 AUPBFZMZFNEDBJ-RURBXUPXSA-N 321.381 -0.381 30 20 DBED Cc1cc(C#N)nc(N[C@H](CO)CNC(=O)CSCC#N)n1 1121080080 ZRHFOFZUPPOKRU-NSHDSACASA-N 320.378 -0.198 30 20 DBED Cc1cc(C#N)nc(N[C@H](CO)CNC(=O)C[C@@H]2CCOC2)n1 1121398826 JLOKXQVEOLSZCH-AAEUAGOBSA-N 319.365 -0.028 30 20 DBED Cc1cc(C#N)nc(N[C@@H](CO)CNC(=O)[C@@H]2CCN(C)C2)n1 1121591826 WPMMFBOHNBIYJP-DGCLKSJQSA-N 318.381 -0.503 30 20 DBED CCn1ccc(C(=O)NC[C@@H](CO)Nc2nccnc2C#N)n1 1122053503 YVXZVGWHGUJKDS-JTQLQIEISA-N 315.337 -0.233 30 20 DBED C[C@H]1CCCN1CC(=O)NC[C@H](CO)Nc1cnc(C#N)cn1 1122525915 GOLJRLPHHVBGNI-WCQYABFASA-N 318.381 -0.278 30 20 DBED C[C@@H]1[C@@H](NC(=O)CC(N)=O)CCCN1c1ccnc(C#N)n1 1123522763 MZYROGIMCOWJPS-ZJUUUORDSA-N 302.338 -0.303 30 20 DBED COC(=O)NCC(=O)N(C)C[C@H](O)CNc1ncccc1C#N 1124091819 TVLOAOUITGFTFK-LLVKDONJSA-N 321.337 -0.460 30 20 DBED Cc1ncc(C(=O)N(C)C[C@H](O)CNc2cnc(C#N)cn2)[nH]1 1124207443 NZGDYFPPWWFEJO-LLVKDONJSA-N 315.337 -0.075 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)Cc1cnn(C)c1 1124626818 NQWCAMQXVOAAAJ-UHFFFAOYSA-N 319.409 -0.131 30 20 DBED C=CCOCC(=O)N(C)CCOCCN=c1cc[nH]c(C#N)n1 1127217942 SVMVQNMHOOQIIT-UHFFFAOYSA-N 319.365 -0.140 30 20 DBED COCC1(C(=O)NCCNCC(=O)NCC#N)CCCCC1 1128846063 FQDXQNIFNLMJOP-UHFFFAOYSA-N 310.398 -0.071 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1cc(O)nc(C2CC2)c1 1129206638 SEGCATXDACQNAG-UHFFFAOYSA-N 317.349 -0.376 30 20 DBED CC#CCN[C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@@H]1n1ccnn1 1129686095 WSAQCTSYUDFEEU-ILXRZTDVSA-N 316.409 -0.263 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)C(C)(C)n1cnc(C)c1 1130167614 YJMCKVQGZYPQDS-ZDUSSCGKSA-N 319.409 -0.230 30 20 DBED C#CCNC[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)COC)n2)O1 1130749405 GPMIFBOEFMKMJF-WDEREUQCSA-N 307.354 -0.490 30 20 DBED C#CCCN1C[C@H]2C[C@@H]3CN(C(=O)[C@H](C)CC(N)=O)C[C@@]3(C1)O2 1131252521 TZTGXMQOPNDYBO-VMUDFCTBSA-N 319.405 -0.177 30 20 DBED C=CCOCC(=O)N[C@H]1CC[C@H](C)N(Cc2nnn(C)n2)C1 1131947859 YINRMXWHMVHFMP-RYUDHWBXSA-N 308.386 -0.118 30 20 DBED C#CCN1C[C@@H](NC(=O)CS(=O)(=O)CCOC)CC[C@@H]1C 1132141741 UFTKQLKRJVUAIE-STQMWFEESA-N 316.423 -0.350 30 20 DBED COCC#CCN1C[C@@H](NC(=O)CCn2cnnn2)CC[C@@H]1C 1132380262 HRAVXKGKWHFNLV-KBPBESRZSA-N 320.397 -0.318 30 20 DBED C[C@@H]1CCN(C(=O)Cn2ncn(C)c2=O)C[C@H]1CNCC#N 1132928666 SZGYNFDIUDEPBN-VXGBXAGGSA-N 306.370 -0.820 30 20 DBED C=CCNC[C@H]1CN(C(=O)Cn2c(O)nnc2O)CC[C@H]1C 1133269654 ASOWKAGMYHROIN-MNOVXSKESA-N 309.370 -0.051 30 20 DBED C=CCOCCNCCNC(=O)[C@@H]1CCc2nnnn2CC1 1134098710 HEKIIWOWFCOIAA-GFCCVEGCSA-N 308.386 -0.466 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1nn(C)c2c1CCCC2 1134114697 XDQYQAZSYURZBI-UHFFFAOYSA-N 317.393 -0.632 30 20 DBED C[C@H](NS(C)(=O)=O)C(=O)NCCNCc1ccccc1C#N 1134352759 NQUOMKYULWKAJR-NSHDSACASA-N 324.406 -0.298 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)NCCNC[C@@H](O)COC 1134816660 GRBDVFWIVORTPD-CHWSQXEVSA-N 301.387 -0.830 30 20 DBED C=CCn1cc(C(=O)NCCN[C@H]2CCN(C(C)C)C2=O)nn1 1134973198 HXPLXNUPHNFHJQ-LBPRGKRZSA-N 320.397 -0.207 30 20 DBED COCC#CCN1CCC2(C1)CN(C(=O)[C@H]1CN(C)CCO1)C2 1147297137 ILNAXKWDFXOMPN-OAHLLOKOSA-N 321.421 -0.499 30 20 DBED C=CCOCCN1CCCO[C@@H](CNC(=O)Cn2ncnn2)C1 1149739806 OYHJLTUBPNIVLT-ZDUSSCGKSA-N 324.385 -0.917 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1ccc2nc(O)oc2c1 1152536182 PWKMUUVAWMQYHJ-UHFFFAOYSA-N 317.305 -0.507 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1ncccc1OCC 1153916684 WBRQKVNOTVGGJG-UHFFFAOYSA-N 304.350 -0.451 30 20 DBED CN(CC#N)C[C@H]1CCCCN1C(=O)CN1C(=O)CN(C)C1=O 1158838450 ZSJMGNFEJFJXTE-GFCCVEGCSA-N 321.381 -0.283 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)NCCCNCc1nnnn1C 1167685780 WMSUVVVBAHHCFU-GFCCVEGCSA-N 323.401 -0.723 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](NCc2cnn(C)c2)[C@@H]1C 1178508638 MVBKTVGJSKEVEJ-JSGCOSHPSA-N 317.393 -0.361 30 20 DBED C[C@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)[C@H](C)n1cncn1 1178512233 LONYHVMXMJBAST-SRVKXCTJSA-N 319.369 -0.942 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)CCn2ccnc2)[C@H]1C 1179258380 PXGDMWYMHJYXEM-KBPBESRZSA-N 317.393 -0.398 30 20 DBED CN1CC[C@H](C(=O)NCCCCCCNCC#N)S1(=O)=O 1179792434 NBASHJJBHKLDPV-GFCCVEGCSA-N 316.427 -0.190 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 1183240491 HXJOOOUXKVBQPQ-ZIAGYGMSSA-N 320.437 -0.201 30 20 DBED N#CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 1184398077 ZFHOJCPUCBUMKW-SFDCQRBFSA-N 320.393 -0.368 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@@H]1CCN(C(=O)c2ccon2)C1 1189097204 YKQKNEDXNNTYTR-VXGBXAGGSA-N 304.350 -0.041 30 20 DBED C=CCOCCN(C)[C@H]1CCN(C(=O)Cn2cnnc2O)C1 1189734879 KQEOTYSBFOISCH-LBPRGKRZSA-N 309.370 -0.281 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@H](N(C)CC(=O)NCC#N)C1 1190094753 MYAGMJWKRPOOGE-STQMWFEESA-N 306.366 -0.803 30 20 DBED C#CCN(C)[C@@H]1CCN(C(=O)CS(=O)(=O)CCOC)C1 1190973284 MDFVNGYGTDQNRO-GFCCVEGCSA-N 302.396 -0.787 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)CCc2ccco2)C1 1191011364 HKJSXEHJBCMGRX-ZIAGYGMSSA-N 321.377 -0.324 30 20 DBED C#CCCN(C)[C@H]1CCN(C(=O)CN2CCN(C)C(=O)C2)C1 1191028470 AYXRTEZOTOQSAN-AWEZNQCLSA-N 306.410 -0.684 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)/C(C)=C/CC)C1 1191474805 QJZAXXYXGFSKRQ-WGAXFZFBSA-N 307.394 -0.358 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)COCCC)C1 1191589562 SVOLPVYWZPSUNH-YNEHKIRRSA-N 313.398 -0.735 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(CCOCCOC)C[C@H]1O 1191772294 YNCAXPZBKWRGAJ-CHWSQXEVSA-N 302.371 -0.987 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(CCN2C(=O)CCC2=O)C[C@H]1O 1192523971 CIFFMWRBIBROAS-CHWSQXEVSA-N 321.377 -0.900 30 20 DBED C=C[C@](C)(CCOC)C(=O)N[C@@H]1CN(CCCO)C[C@H]1O 1195020559 MLXOZRSMPNCZBO-UMVBOHGHSA-N 300.399 -0.241 30 20 DBED C[C@@H](C(=O)N1CCCN(CC(=O)NCC#N)CC1)n1cncn1 1195513921 CCEWOWGJJOCTHM-LBPRGKRZSA-N 319.369 -0.987 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)c2coc(C3CC3)n2)C1 1196710188 UMRMVHGWKAFJEL-TZMCWYRMSA-N 319.361 -0.023 30 20 DBED C#CCNC(=O)[C@H](C)NC1CCN(C(=O)[C@H]2CCOC2)CC1 1199620774 AUGIVJFMEFRIKJ-STQMWFEESA-N 307.394 -0.259 30 20 DBED C#CCNC[C@H]1CN(C(=O)[C@H]2CCc3nn[nH]c3C2)CCCO1 1201849920 ZYAKHVQDCKRJNC-STQMWFEESA-N 317.393 -0.250 30 20 DBED N#CCNC(=O)CN[C@@H]1C[C@H](NC(=O)c2nc[nH]n2)C12CCC2 1203500511 QQKDMUFKKSRTJI-ZJUUUORDSA-N 317.353 -0.925 30 20 DBED C=CCO[C@H](C)C(=O)N1CCC(N[C@H]2CCC(=O)NC2=O)CC1 1204028914 RNDHITDWNUNOAY-YPMHNXCESA-N 323.393 -0.037 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(CC#CCOC)C[C@H]1C 1206887286 FGAMJUGEEUDJSR-ZIAGYGMSSA-N 305.378 -0.788 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2nnn(C)n2)C[C@H]1C 1206959816 FXZCMADOSFZIIT-VXGBXAGGSA-N 306.370 -0.814 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)Cc2cc(C)[nH]n2)C1 1207777373 OTERLJPVLMTLIY-CYBMUJFWSA-N 317.393 -0.409 30 20 DBED C=CCOCCN[C@H]1CCCN(C(=O)C2CS(=O)(=O)C2)C1 1208179306 FKBOBVXJMBQJAG-ZDUSSCGKSA-N 316.423 -0.186 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCCN(C(=O)CCN(C)C)C1 1209444115 DFKDJZVQASBSIW-UONOGXRCSA-N 308.426 -0.343 30 20 DBED C=CCn1cc(C(=O)N2CCC[C@@H](NCC(=O)N(C)C)C2)nn1 1210008937 CBAAQGBFXCFMKL-GFCCVEGCSA-N 320.397 -0.254 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCCN(C(=O)CN2CCCC2)C1 1211090279 JGJQGHCYFJMFIS-CABCVRRESA-N 320.437 -0.199 30 20 DBED CO[C@@H]1CN(CC(=O)N2CCCC2)C[C@H]1NC(=O)[C@@H](C)C#N 1212038930 BAATUNGQKDBPOR-YNEHKIRRSA-N 308.382 -0.416 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)C[C@H]2CCNC2=O)C[C@H]1C 1214842897 CIVGQMXDCAYYDQ-JHJVBQTASA-N 322.409 -0.749 30 20 DBED C#CCCN[C@@H]1CN(C(=O)CS(=O)(=O)N(C)C)C[C@H]1C 1216622507 DJDCCWSPRUFFEC-VXGBXAGGSA-N 301.412 -0.662 30 20 DBED CC[C@@H](C(N)=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)C#CC(C)C 1217840115 VRXCNFWCKHNNBF-MELADBBJSA-N 307.394 -0.179 30 20 DBED C=CCCC(=O)N[C@@H]1CN(CC(=O)NCCCOC)C[C@@H]1O 1219332620 CBDTZCBRSPUUQR-OLZOCXBDSA-N 313.398 -0.733 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(CCc2cnn(C)c2)C[C@@H]1O 1219536194 MJQDACBDEVEKFJ-IJEWVQPXSA-N 322.409 -0.549 30 20 DBED CC(C)N1CC[C@@H](N2C[C@H](O)[C@H](NC(=O)C#CC3CC3)C2)C1=O 1219594839 YMDKWOVRIXXBDT-KFWWJZLASA-N 319.405 -0.430 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@H](C)NC(=O)c2ccoc2)C1 1219684696 RWQOKYHOXIQEIF-UHTWSYAYSA-N 305.334 -0.808 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)C2(CC)CC2)C1 1220300592 QFGUHXGTKTYWGO-XQQFMLRXSA-N 307.394 -0.524 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)C(C)(C)NS(C)(=O)=O)C1 1220509755 NXWMHVDXNGTXKR-MNOVXSKESA-N 319.427 -0.948 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@H](C)Cc2cnn(C)c2)C1 1220646639 GTNLZIOAYNUTOB-YUELXQCFSA-N 304.394 -0.217 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@H](c2cccnc2)N(C)C)C1 1221105281 AOPWGOCPZNLLDD-PMPSAXMXSA-N 316.405 -0.131 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2cnns2)C[C@@H]1O 1221145409 ANFQAECMUFKOMC-WCQGTBRESA-N 312.395 -0.210 30 20 DBED N#CCNC(=O)CN1CCC(NC(=O)C2=COCCO2)CC1 1225890350 QMBCUHFJTXHNRW-UHFFFAOYSA-N 308.338 -0.905 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC(NC(=O)CC(=O)NCC)CC1 1227006721 SQSRXUOZDHJBDR-LBPRGKRZSA-N 322.409 -0.769 30 20 DBED COCC#CCN1CCC(NC(=O)[C@H]2CN(C)C(=O)N2)CC1 1228596895 MJAIREVBSOGVRZ-CYBMUJFWSA-N 308.382 -0.760 30 20 DBED C#CCN1CCS(=O)(=O)[C@H](CCNC(=O)[C@@H](C)COC)C1 1230435934 KHCIBLOSEORAIZ-QWHCGFSZSA-N 316.423 -0.493 30 20 DBED C=CCN1CCS(=O)(=O)[C@H](CCNC(=O)c2cncnc2)C1 1230449345 AKBODWRAJOYQBD-CYBMUJFWSA-N 324.406 -0.119 30 20 DBED Cc1nn(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c(=O)c(C#N)c1C 1319152569 MNSPXVJLSHDXEP-NSHDSACASA-N 318.293 -0.102 30 20 DBED C#CCNC(=O)C1CCN(C(=O)NCCn2cncn2)CC1 1324222723 VPILKWIAYXQZQC-UHFFFAOYSA-N 304.354 -0.551 30 20 DBED CCN(CCOCCO)C(=O)C(=O)N1CCC[C@@H](CC#N)C1 1330415987 AMIXECMXZSXZKS-ZDUSSCGKSA-N 311.382 -0.004 30 20 DBED CN[C@H]1CCN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1 1330568426 TVQNICJQNPXYQU-AAEUAGOBSA-N 305.382 -0.995 30 20 DBED C=CC[S@@](=O)CC(=O)NC1CCN(S(C)(=O)=O)CC1 1333218492 JDUPSODZRDQWGJ-GOSISDBHSA-N 308.425 -0.539 30 20 DBED C#CCSCCNC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1336141374 WSNSORDLQYWPOQ-ZDUSSCGKSA-N 320.418 -0.332 30 20 DBED C#CCNCC(=O)N(C)CCNS(=O)(=O)c1ccc(C)cc1 1341598692 FGLSUFMJZVLZKX-UHFFFAOYSA-N 323.418 -0.045 30 20 DBED N#Cc1ccc(NCC(=O)NCCCn2cc(CO)nn2)nc1 1343770252 QSEHWVCUDLAXDH-UHFFFAOYSA-N 315.337 -0.345 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N[C@@H](CC)CN1CCOCC1 1351435775 GGLYOGXUKYMDPT-QWHCGFSZSA-N 313.398 -0.469 30 20 DBED C[C@H](Cn1cccn1)NC(=O)CCn1cc(C#N)c(O)nc1=O 1362045285 SYHWUANOEGXUBO-SNVBAGLBSA-N 316.321 -0.388 30 20 DBED Cc1nn(C)c(N2CCN(C(=O)Cc3nc[nH]n3)CC2)c1C#N 1362361882 JMUIJQRNXKVGIM-UHFFFAOYSA-N 314.353 -0.390 30 20 DBED Cn1c(N[C@@H](CO)c2ccccn2)c(C#N)c(=O)n(C)c1=O 1363164304 ZMFLWXJQJWARKT-NSHDSACASA-N 301.306 -0.504 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N1CC[C@H](c2nncn2C)C1 1365730550 QANLQQIBMIFMPH-MNOVXSKESA-N 312.399 -0.059 30 20 DBED C=C(Cl)CNC[C@@H](O)CNC(=O)[C@H]1COCCN1CC 1367595831 AOTYJSGQUNGCMB-VXGBXAGGSA-N 305.806 -0.474 30 20 DBED C=C(Cl)CNC[C@@H]1CN(C(=O)CS(=O)(=O)CC)CCO1 1376861035 JZLXKEBOZQNIEF-LLVKDONJSA-N 324.830 -0.009 30 20 DBED CC(=O)NCC(=O)N1[C@H]2CC[C@H]1CN(C(=O)[C@@H](C)C#N)CC2 1379186354 VJPCTEHMYITRNA-DRZSPHRISA-N 306.366 -0.126 30 20 DBED CCc1nn(C)cc1C(=O)N(C)C[C@@H](O)CNC(=O)[C@H](C)C#N 1384229898 UNHRRZSQGSAUJW-MNOVXSKESA-N 321.381 -0.309 30 20 DBED COc1ncc(C(=O)N2CC[C@H](NC(=O)[C@@H](C)C#N)C2)cn1 1386106015 NYXMVPHIZIFWMW-ONGXEEELSA-N 303.322 -0.024 30 20 DBED C[C@H](CNC(=O)[C@H](C)C#N)NC(=O)C(C)(C)NS(C)(=O)=O 1386456488 KLBRZEPZDNQNQG-RKDXNWHRSA-N 318.399 -0.905 30 20 DBED C[C@@H](CNC(=O)[C@@H](C)C#N)NC(=O)c1cnc(N(C)C)cn1 1386458166 RJZWUPRXVCCKNT-UWVGGRQHSA-N 304.354 -0.063 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)CCNC(N)=O 1393878226 VCLBZUGHRXQACJ-TUAOUCFPSA-N 321.381 -0.204 30 20 DBED CC(=O)N(C)CC(=O)N[C@H](C)CNC(=O)c1c[nH]c(C#N)c1 1408122380 YQXFFDSEAVHVLC-SECBINFHSA-N 305.338 -0.401 30 20 DBED N#Cc1cccc(CS(=O)(=O)N2C[C@@H](CO)[C@@H](CO)C2)c1 1414328562 WFWLYTYDRHHQIM-OKILXGFUSA-N 310.375 -0.079 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)[C@@H](C)S(C)(=O)=O)CC1 1417198723 XSTCRLGXDGGKHI-DTWKUNHWSA-N 301.368 -0.656 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CCCC(=O)N2C)C1 1428233430 IXGLLPFFDBCCFN-BJDJZHNGSA-N 306.366 -0.080 30 20 DBED C[C@H](CNC(=O)CCCS(C)(=O)=O)NC(=O)[C@H](C)C#N 1431727818 AVJLHPLEKBPZAQ-NXEZZACHSA-N 303.384 -0.408 30 20 DBED Cc1[nH]c(C#N)cc1C(=O)NCCc1nnc2n1CCNC2=O 1434361969 QNYLILHIQIGXPQ-UHFFFAOYSA-N 313.321 -0.498 30 20 DBED Cc1cc(NC(=O)C2CN(S(C)(=O)=O)C2)n(CCC#N)n1 1442014646 XEOPMWHGEAHYBO-UHFFFAOYSA-N 311.367 -0.065 30 20 DBED CC(C)c1nnnn1CC(=O)N(C)C[C@@H](C)NC(=O)[C@H](C)C#N 1443827002 AWBPLWUFWWIGQF-GHMZBOCLSA-N 321.385 -0.081 30 20 DBED CC(C)C[C@H]1C(=O)NCCN1c1[nH]c(=O)n(C)c(=O)c1C#N 1472761432 AJCVQNLWJJSNNQ-JTQLQIEISA-N 305.338 -0.704 30 20 DBED COc1cc(CN2CC(O)(CNC(=O)[C@@H](C)C#N)C2)sn1 1484263850 FYVWSHNIQLGRAH-VIFPVBQESA-N 310.379 -0.026 30 20 DBED C=C(Cl)CN1CCN(CCNC(=O)[C@@H]2COCCO2)CC1 1490482325 PAHFUFGNSKJJSE-ZDUSSCGKSA-N 317.817 -0.112 30 20 DBED CO[C@@H](CNc1cnc(C#N)c(-c2nn[nH]n2)n1)[C@H]1CCOC1 1579593625 CCRMVQRFIAYYBX-WPRPVWTQSA-N 316.325 -0.008 30 20 DBED C#CCNCC(=O)N[C@H]1CCN(c2sccc2C(=O)O)C1=O 1588485536 WAYGELHLMBHAIA-JTQLQIEISA-N 321.358 -0.109 30 20 DBED C=C(CNC(=O)C1(C(=O)O)CC1)CNC(=O)C1(C(=O)OC)CC1 1588636718 ROOSZRCUTOUSAS-UHFFFAOYSA-N 324.333 -0.407 30 20 DBED CC#CCS(=O)(=O)NC(=O)c1cc(-c2nn[nH]n2)cn1C 1588752894 WTWOHWXWEPPEDH-UHFFFAOYSA-N 308.323 -0.712 30 20 DBED COCC#CCN1C[C@H](C(=O)O)N(CC#CCOC)C[C@H]1C 1599138197 KMPCWWHAWGHACL-HUUCEWRRSA-N 308.378 -0.255 30 20 DBED N#CCCCC(=O)NS(=O)(=O)N1CCC(C(=O)O)CC1 1601066942 SDOBCBDFFQCSRP-UHFFFAOYSA-N 303.340 -0.162 30 20 DBED N#Cc1c(CN2CCN(C(=O)CO)CC2)cccc1C(=O)O 1601080892 BHMJMENKWIYFJF-UHFFFAOYSA-N 303.318 -0.107 30 20 DBED C=CC[C@H](CO)NC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)cc1 1609053898 UGLDHYRKSKQGJO-LLVKDONJSA-N 316.321 -0.142 30 20 DBED C#CCOCCNC(=O)C(=O)NCc1cc(C(=O)O)c(C)o1 1609167695 TUPQUGLJERGOSR-UHFFFAOYSA-N 308.290 -0.332 30 20 DBED COC(=O)CN(CC#N)C(=O)c1cccc(-c2nn[nH]n2)n1 1609299452 SFWOBDBRTXAODX-UHFFFAOYSA-N 301.266 -0.600 30 20 DBED COCC#CCN[C@H]1CCN(C(=O)c2ccn3nnnc3c2)C1 1690239761 CWMRNBQWJHWECC-ZDUSSCGKSA-N 314.349 -0.422 30 20 DBED C#CCN[C@H](C)[C@@H]1CCCCN1C(=O)CN1CCOCC1=O 1752146510 MQDXXXDMALDQLV-KGLIPLIRSA-N 307.394 -0.162 30 20 DBED CN(C(=O)C1CCOCC1)C1CCN(CC(=O)NCC#N)CC1 1752290729 SWJZYIHPHMBQPT-UHFFFAOYSA-N 322.409 -0.024 30 20 DBED C#CCN1CCN(CCCNC(=O)[C@@H]2C[C@@H]2C(=O)OC)CC1 1752339016 FOFQOLRGCBFCFP-KGLIPLIRSA-N 307.394 -0.447 30 20 DBED C=CCNC(=O)CNCCN(C)C(=O)c1c[nH]c(C(N)=O)c1 1753261897 JVDOKVJNIJYPDN-UHFFFAOYSA-N 307.354 -0.923 30 20 DBED Cc1nnc(CC(=O)N(C)CCN2CCN(CC#N)CC2)o1 1753341781 GZEXBNGLSIOHMG-UHFFFAOYSA-N 306.370 -0.480 30 20 DBED C#CCCN1CCN(CCN(C)C(=O)c2ncn(C)n2)CC1 1753341941 IUEJDTLMVHVCIT-UHFFFAOYSA-N 304.398 -0.472 30 20 DBED CCc1nn(C)cc1C(=O)NC[C@@H](CC)NCC(=O)NCC#N 1753480244 WQHGGJUHDURFGA-LLVKDONJSA-N 320.397 -0.280 30 20 DBED C[C@H](CNCC(=O)NCC#N)CNC(=O)c1cccc(O)n1 1753608749 PSIHFZQGWHZFKJ-SNVBAGLBSA-N 305.338 -0.618 30 20 DBED C#CCN(C(=O)[C@H]1CN(C)CCO1)C1CCN(CC#N)CC1 1754636052 GBSSUSRCSIERPK-OAHLLOKOSA-N 304.394 -0.233 30 20 DBED COCC#CCN1[C@H]2CC[C@H]1CN(C(=O)CNC(C)=O)CC2 1754657373 PTUQDKZDATXRHB-GJZGRUSLSA-N 307.394 -0.162 30 20 DBED Cc1cc(=O)oc(C)c1C(=O)NC[C@@]1(O)CCN(CC#N)C1 1754752689 NTBFQASXCNOWLW-HNNXBMFYSA-N 305.334 -0.053 30 20 DBED COCC#CCN1CC(O)(CNC(=O)CC[C@@H]2CCCN2C)C1 1754768910 GFOBXVJCSJQSGI-HNNXBMFYSA-N 323.437 -0.327 30 20 DBED CCCOCC(=O)N1C[C@H](C)[C@H](CNCC(=O)NCC#N)C1 1754811542 IBFAKPIJABDNSM-QWHCGFSZSA-N 310.398 -0.263 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H]2CN(C(=O)C[C@H](C)OC)C[C@H]2C1 1754839825 FXWXYUIOSINKEO-LJISPDSOSA-N 321.421 -0.061 30 20 DBED C=CCCN1CCC[C@@](CO)(NC(=O)CS(C)(=O)=O)C1 1754853034 SEXONOVYQNUDIW-CYBMUJFWSA-N 304.412 -0.450 30 20 DBED C#CCNC[C@H]1CN(C(=O)Cc2nc3ncccn3n2)CCO1 1755016205 XISKCIVUXUDCCC-LBPRGKRZSA-N 314.349 -0.883 30 20 DBED C#CCNC[C@@H]1CN(C(=O)CS(=O)(=O)CCCC)CCO1 1755017078 IGTXIBLXZACETG-CYBMUJFWSA-N 316.423 -0.349 30 20 DBED C#CCCCC(=O)N1CCC(O)(CN[C@H]2CCN(C)C2=O)CC1 1755149200 YHJSSVUFIGQLFE-AWEZNQCLSA-N 321.421 -0.036 30 20 DBED C#CCNCC1(O)CCN(C(=O)c2cc3ncccn3n2)CC1 1755154852 LWJLLLXNUPQBNO-UHFFFAOYSA-N 313.361 -0.081 30 20 DBED C[C@H](NCC(=O)NCC#N)[C@H](C)NC(=O)c1ncccc1O 1755234997 WZWUEHRHZGYZCJ-UWVGGRQHSA-N 305.338 -0.477 30 20 DBED Cc1noc(CCC(=O)N[C@H](C)[C@H](C)NCC(=O)NCC#N)n1 1755246330 NRFPVHDYVXABDE-VHSXEESVSA-N 322.369 -0.567 30 20 DBED COCC#CCN[C@@H](C)[C@@H](C)NC(=O)c1cn(C)c(=O)n1C 1755268435 GCFVXSKHSJUIFM-NWDGAFQWSA-N 308.382 -0.530 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)Cn2cccn2)C(C)(C)C1 1755405274 JYIXLKAFCQVOLB-CYBMUJFWSA-N 317.393 -0.541 30 20 DBED C#CCCNC[C@H]1C[C@H](NC(=O)CCc2nnc(O)nc2O)C1 1755475079 WHSHMGKFTLKBNC-XYPYZODXSA-N 319.365 -0.277 30 20 DBED COCC(=O)N(C)CC(=O)N1C[C@H]2[C@@H](NCC#N)CCC[C@H]2C1 1755708287 WRAYFUQXIPPYFT-MJBXVCDLSA-N 322.409 -0.169 30 20 DBED C#CCN(C)C[C@@H](O)CN(C)C(=O)CN1CCCCCC1=O 1755807111 CDCIFDGWMIMODA-CQSZACIVSA-N 309.410 -0.227 30 20 DBED C#CCOCCC(=O)N[C@H](C)C1CN(C(=O)[C@H]2CCN(C)C2)C1 1756141664 GULXTXJQZBYUPT-KGLIPLIRSA-N 321.421 -0.059 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H](CO)CNC(=O)c1ncoc1C 1756508687 ZWEOAFAWUYPOFO-WDEREUQCSA-N 311.338 -0.219 30 20 DBED C#CCOCCC(=O)N[C@H]1C[C@@H](C)N(C(=O)CCCC(N)=O)C1 1756591746 HMCZHUYSDUTCOV-OLZOCXBDSA-N 323.393 -0.213 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H](O)CN(C)C(=O)c1cnco1 1756671019 RNHQCKSJONHAKF-WDEREUQCSA-N 309.322 -0.738 30 20 DBED CCN(C(=O)Cn1cnnc1O)[C@H](C)CNC(=O)C#CC(C)C 1756852634 AHKPPCFCUFPLJE-GFCCVEGCSA-N 321.381 -0.004 30 20 DBED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3CC3)[C@H]2C1 1791881785 LCJYMXSTVMBJRQ-AVGNSLFASA-N 320.345 -0.536 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(CO)on1 1798735134 XTNXDBFYFVBBSZ-WDAIWFPHSA-N 319.317 -0.997 30 20 DBED C=CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCC(=O)N1)C2 1800997867 QOSDVFCCEREYHQ-OXIQGZBJSA-N 321.377 -0.569 30 20 DBED C#CC(=O)N1CCCC12CN(C(=O)C[C@](C)(O)CC(=O)O)C2 1845960804 OUHKFZGQWJUACJ-AWEZNQCLSA-N 308.334 -0.561 30 20 DBED CC[C@H](C#N)OC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 84697552 BEBNDKWWAZRBOB-MRVPVSSYSA-N 305.294 -0.721 30 20 DBED C#CCN1CCN(C(=O)CN2CCCC3(C2)OCCO3)CC1 90563363 UDILZPWEAJVZBO-UHFFFAOYSA-N 307.394 -0.397 30 20 DBED N#CC1(C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)CCC1 134536816 LZOISPRSVVBGCA-UHFFFAOYSA-N 320.393 -0.317 30 20 DBED N#Cc1ccc(C(=O)NCCNS(=O)(=O)c2cccnc2)[nH]1 152271389 ZWQFIVFVIXRQLD-UHFFFAOYSA-N 319.346 -0.010 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@@H]2C)c1=O 173529666 MYXHJYCXOVETRC-LBPRGKRZSA-N 306.366 -0.015 30 20 DBED COC(=O)C[C@@H]1CCCN1c1c(C#N)c(=O)n(C)c(=O)n1C 178851336 WQAXKWODDGQNMB-VIFPVBQESA-N 306.322 -0.512 30 20 DBED N/C(=N/C[C@]1(O)CCSC1)N1CCN(c2ncccn2)CC1 262485211 IMHMAORZZRMLQT-CQSZACIVSA-N 322.438 -0.219 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N[C@@H]1CC(=O)N(C2CC2)C1 272788538 ARYWZBLTLXTERX-SNVBAGLBSA-N 315.395 -0.350 30 20 DBED CCN(CC#CCN(CC)[C@H]1CCNC1=O)[C@H]1CCNC1=O 284795733 OFMCGWCXOIEPLM-KBPBESRZSA-N 306.410 -0.589 30 20 DBED COCC1(CNc2c(C#N)c(=O)n(C)c(=O)n2C)CCOCC1 291879581 OGMPGOWMKGLMMR-UHFFFAOYSA-N 322.365 -0.189 30 20 DBED COC[C@H](C)N/C(N)=N/C[C@@H]1CCC[C@H]1NS(C)(=O)=O 305020174 NPIHESJDHHXHTJ-GARJFASQSA-N 306.432 -0.357 30 20 DBED CO[C@H]1C[C@@H](CN(C)/C(O)=N/[C@H]2CCS(=O)(=O)C2)N(C)C1 328909661 DVCMECWSRLRVHQ-SRVKXCTJSA-N 319.427 -0.262 30 20 DBED CCS(=O)(=O)N(C)CCC/N=C(/O)N1CCNC(=O)[C@@H]1C 330663920 XWSTVFNVEIZIJK-JTQLQIEISA-N 320.415 -0.608 30 20 DBED CNC(=O)[C@@H]1CN([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CCO1 330803293 IFSOSTPXIFYTOW-SLEUVZQESA-N 310.398 -0.124 30 20 DBED COC(=O)[C@@H](O)C(C)(C)NS(=O)(=O)N(C)[C@H](C)CC#N 332518480 QJZFABDSDGYISE-RKDXNWHRSA-N 307.372 -0.633 30 20 DBED CCN(CCC#N)S(=O)(=O)N[C@@H](C)C(=O)N1CCOCC1 336917541 NMTJORLGQYQNQP-NSHDSACASA-N 318.399 -0.696 30 20 DBED C[C@@H]1CS(=O)(=O)C[C@@H]1NS(=O)(=O)c1ccc(C#N)o1 341981973 TVNVCGNYRWJMKU-APPZFPTMSA-N 304.349 -0.137 30 20 DBED N#C[C@H]1COCCN1CC(=O)Nc1cccc(S(N)(=O)=O)c1 348700219 OLUPMJYZUCYXGV-NSHDSACASA-N 324.362 -0.503 30 20 DBED CC#CCCNC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 353941986 WXWBYGPJFNUMLO-UHFFFAOYSA-N 300.318 -0.225 30 20 DBED N#Cc1ccc(CNC(=O)CN2CCO[C@H](C(N)=O)C2)cc1 371474547 DBHPMEJVBSFAFU-ZDUSSCGKSA-N 302.334 -0.639 30 20 DBED N#CCNC(=O)CNC(=O)[C@H]1CSCN1C(=O)C1CCC1 376173138 ITIJHXLFOIDVEY-SNVBAGLBSA-N 310.379 -0.556 30 20 DBED N#Cc1cccc([N+](=O)[O-])c1N1CCN2C(=O)C(=O)NC[C@@H]2C1 425235697 PFWUAANDMAMVMD-SNVBAGLBSA-N 315.289 -0.387 30 20 DBED CO[C@H](CNC(=O)C(=O)Nc1ccn(CCC#N)n1)C(C)C 444517100 WNLGLUVJBCYLKX-LLVKDONJSA-N 307.354 0.522 30 20 DBED CC[C@@H](C)N1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)CC1 451970952 MINMTNBDFFCJHI-CHWSQXEVSA-N 316.427 -0.128 30 20 DBED C[C@H](N)CCNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 566238137 FVUWXNSKWWAVMV-JTQLQIEISA-N 310.379 -0.310 30 20 DBED Cc1oc(NC(=O)CN[C@]2(C(N)=O)CCOC2)c(C#N)c1C 566628737 SZGAPHSJDAZYFX-CQSZACIVSA-N 306.322 -0.059 30 20 DBED N#CCNC(=O)CNC(=O)N1CCN(C[C@@H]2CCCO2)CC1 588746485 CFJWLIDMZUBCFY-LBPRGKRZSA-N 309.370 -0.868 30 20 DBED N#C[C@@]1(NC(=O)[C@@H]2CCCN(S(N)(=O)=O)C2)CCSC1 597036383 QSYOMIYHGMKWSI-KOLCDFICSA-N 318.424 -0.583 30 20 DBED C=CCCSCCNC(=O)C(=O)NC[C@H](C)S(C)(=O)=O 597282754 RIPQRJGMNQHLDH-JTQLQIEISA-N 322.452 -0.039 30 20 DBED C[C@H](C#N)N(C(=O)CNS(=O)(=O)c1cn(C)cn1)C1CC1 598132528 TYODTJGHUGQGBH-SECBINFHSA-N 311.367 -0.399 30 20 DBED C[C@@H](CNS(=O)(=O)c1ccc(C#N)nc1)S(C)(=O)=O 611083951 UJCCYFWEFPEAMT-QMMMGPOBSA-N 303.365 -0.335 30 20 DBED CCN(C[C@@H](C)C#N)C(=O)COC(=O)Cn1ccc(O)nc1=O 728319753 FQADWABTFUTBMK-JTQLQIEISA-N 322.321 -0.500 30 20 DBED CN1C(=O)c2ccc(C(=O)OCC(=O)NCC#N)cc2C1=O 731238029 UBYIOQCXXHLUCP-UHFFFAOYSA-N 301.258 -0.291 30 20 DBED CN(C)c1nccc(NN=Cc2cn(C)c(=O)n(C)c2=O)n1 739417661 AWSAOMUSNXXQMK-UHFFFAOYSA-N 303.326 -0.614 30 20 DBED C#CCOCCOC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C 762725946 SSWIYUXRYODSNG-UHFFFAOYSA-N 317.301 -0.561 30 20 DBED N#Cc1cnn(CCOC(=O)c2cccn3c(O)nnc23)c1N 766277226 QXTRFYZPJAZQMA-UHFFFAOYSA-N 313.277 -0.058 30 20 DBED CCN(CCC#N)C(=O)COC(=O)Cn1cc(C(=O)OC)nn1 786555857 KQXQZIMAVZYUKT-UHFFFAOYSA-N 323.309 -0.630 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)OCCO[C@@H](C)C#N)C1=O 801834013 OYYAIAVPDVYKPZ-VIFPVBQESA-N 309.278 -0.565 30 20 DBED C#C[C@H](NC(=O)C(=O)N(CC)CCOCCO)[C@@H]1CCCO1 809310833 UTOXGOPMOXMPKD-STQMWFEESA-N 312.366 -0.859 30 20 DBED C#CCN(c1nnc(C)n1CCOC)[C@@H]1CCS(=O)(=O)C1 812161494 OEFDRPKABXHBDG-GFCCVEGCSA-N 312.395 -0.140 30 20 DBED C#CC[C@H](CO)NC(=O)c1cc(S(N)(=O)=O)ccc1OC 816671308 SXASQBINEYJYEY-SECBINFHSA-N 312.347 -0.543 30 20 DBED N#C[C@@H]1CNC[C@H]1NC(=O)CCN1C(=O)c2ccccc2C1=O 834506356 SGBLOOUSCYLLPD-ZWNOBZJWSA-N 312.329 -0.100 30 20 DBED N#Cc1c(N2CC(N3CC[C@@H](O)C3)C2)cccc1S(N)(=O)=O 845721619 WWRJWBLBBXNFFU-LLVKDONJSA-N 322.390 -0.539 30 20 DBED CC(C)[C@H](NS(C)(=O)=O)C(=O)N[C@H]1CCCN(O)C1=O 848135799 QOVQCRDQASDOKM-IUCAKERBSA-N 307.372 -0.943 30 20 DBED C#C[C@@H](NC(=O)N(CCN(C)C)CC(=O)N(C)C)[C@H]1CCCO1 854003256 GQUPPHZIGVMKIP-ZIAGYGMSSA-N 324.425 -0.171 30 20 DBED C#CC1(O)CN(C(=O)[C@@H]2CCCN(S(=O)(=O)CC)C2)C1 890521395 CTCSZLTWJUQUHY-LLVKDONJSA-N 300.380 -0.745 30 20 DBED CN(C)CC#CCNC(=O)CN1CCN(c2ccccn2)CC1 913519217 SDEJVADMYZTIBM-UHFFFAOYSA-N 315.421 -0.115 30 20 DBED CN(C(=O)[C@@H]1CNC(=O)N1)[C@@H]1CCN(C(=O)C#CC2CC2)C1 937352236 GUHXZSKPRHAEHR-NEPJUHHUSA-N 304.350 -0.860 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CN2CCOCC2=O)[C@H](C)C1 942128882 HTFASSRJJCMDEW-ZIAGYGMSSA-N 307.394 -0.305 30 20 DBED C[C@H](C#N)C(=O)N1CCC(N(C)C(=O)c2nnn(C)n2)CC1 954171390 DWNUKHPUUJNLMB-SECBINFHSA-N 305.342 -0.567 30 20 DBED Cc1ccc(=O)n(CC(=O)N(C)C2CN(C(=O)[C@@H](C)C#N)C2)n1 954925704 VKLMAHBNCDYLMF-JTQLQIEISA-N 317.349 -0.619 30 20 DBED Cn1cnc(C(=O)N[C@@]2(C)CCN(C(=O)C#CC3CC3)C2)n1 956888256 FLQCXNSKESGHSR-HNNXBMFYSA-N 301.350 -0.051 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(C)=O 959859130 YNDGUMZDZAJJDI-SOUVJXGZSA-N 305.378 -0.458 30 20 DBED C#Cc1ccc(C(=O)N2C[C@H](O)[C@H](NC(=O)C(F)F)C2)cn1 961078176 YUXZYVWBENMXNY-MNOVXSKESA-N 309.272 -0.371 30 20 DBED C#Cc1cncc(C(=O)NC2[C@H]3CN(CC(=O)N4CCC4)C[C@H]23)c1 961723964 UKPJNQTWKSPTQR-GJZGRUSLSA-N 324.384 -0.045 30 20 DBED COCC(=O)N1CC2(C[C@@H](NC(=O)c3cc(C#N)c[nH]3)CO2)C1 965664368 HDHDGDAYPUCDAK-LLVKDONJSA-N 318.333 -0.368 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)CCn1cnnn1 969737112 XHZSRFMKVFRPDO-SDDRHHMPSA-N 317.353 -0.575 30 20 DBED C#CCN1CC([C@H](C)NC(=O)[C@@H]2CCc3nnn(C)c3C2)C1 970334146 ITSOZJTWRYNEAX-NWDGAFQWSA-N 301.394 -0.010 30 20 DBED C=CCN[C@@H]1CCN(C(=O)CN2CCS(=O)(=O)CC2)C1 970703432 ZWOVVAFIWYWDBL-GFCCVEGCSA-N 301.412 -0.907 30 20 DBED CC#CCN1CCO[C@]2(CCN(C(=O)c3cnn(C)c3N)C2)C1 972354945 HVRKHZOODFYEJL-MRXNPFEDSA-N 317.393 -0.058 30 20 DBED N#CCN1CCO[C@]2(CCN(C(=O)c3ccc(C(N)=O)o3)C2)C1 972459016 PZKCBUNCULUFPU-OAHLLOKOSA-N 318.333 -0.181 30 20 DBED COCCN1C[C@H](C(=O)N2CCCN(CC#N)CC2)CC1=O 981276975 UXXDTESMTNIJSE-CYBMUJFWSA-N 308.382 -0.461 30 20 DBED C=CCCn1cc(C(=O)N2CCCN([C@@H](C)C(N)=O)CC2)nn1 982143210 PUCSYXHCSZSZMK-LBPRGKRZSA-N 320.397 -0.124 30 20 DBED C[C@@H]1[C@H](NCC#N)CCN1C(=O)CN1CCCS1(=O)=O 986328703 CMTYRKMWDXGTIC-GHMZBOCLSA-N 300.384 -0.876 30 20 DBED Cc1n[nH]cc1C(=O)N[C@@H]1CCN(C(=O)C#CC2CC2)C[C@H]1O 991652837 ZLAAYZZZYBHOBY-ZIAGYGMSSA-N 316.361 -0.177 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 992071409 PNHCFGAKVGZSDL-NDBYEHHHSA-N 321.377 -0.584 30 20 DBED CC(=O)N1CC(N2C[C@@H](NC(=O)c3ccc(C#N)[nH]3)CC2=O)C1 995504124 YEPGJQCTRBIGPI-NSHDSACASA-N 315.333 -0.552 30 20 DBED N#Cc1cc(C(=O)N2CC(NC(=O)[C@H]3CC[C@@H]3C(N)=O)C2)c[nH]1 997403757 GKKNFIKPVGKMFX-RYUDHWBXSA-N 315.333 -0.662 30 20 DBED C#CCN[C@@H]1CCCN(C(=O)CN2C(=O)NC(=O)C2(C)C)C1 1000619557 AFWYTPOJYQYBBM-LLVKDONJSA-N 306.366 -0.469 30 20 DBED CO[C@H]1C[C@H](C(=O)N[C@H]2CCCN(CC#N)C2)N(C(C)=O)C1 1008060674 CZSSWRJIQXUXDL-MELADBBJSA-N 308.382 -0.274 30 20 DBED C#CCN1CCC(C(=O)N[C@@H]2CCN([C@@H](CC)C(N)=O)C2)CC1 1016335883 HAJCIDVXGGGNGA-CABCVRRESA-N 320.437 -0.214 30 20 DBED C#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)CC[C@@H]1NC(=O)NC1=O 1018249346 NPRWOJBEQZSACO-TUAOUCFPSA-N 304.350 -0.717 30 20 DBED C=CCN1CC[C@H](N[C@H]2CCN(C(=O)c3cn(C)nn3)C2)C1=O 1018808431 KWPTVIXQIXDCIU-RYUDHWBXSA-N 318.381 -0.594 30 20 DBED Cn1cc(C(=O)N2CC3(CCN(C(=O)C#CC4CC4)C3)C2)nn1 1018993705 NFTJEYBOIDSYSB-UHFFFAOYSA-N 313.361 -0.097 30 20 DBED C[C@H](C#N)C(=O)N1CCC2(C1)CN(C(=O)[C@@]1(C)CNC(=O)C1)C2 1019199692 CVJFEXDHUNBGJK-IAQYHMDHSA-N 318.377 -0.267 30 20 DBED C=C(C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn(C)nn2)C1 1023587577 MTPSNRYJCYVBKY-ZYHUDNBSSA-N 321.381 -0.281 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2CCCN(CC(N)=O)C2)cn1 1023710565 NIHSWXVRERIGFD-GFCCVEGCSA-N 300.362 -0.010 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)C(C)(C)C(N)=O)C[C@H]2O)C1 1025541910 HITPFQMMZDUOMO-GHMZBOCLSA-N 323.393 -0.458 30 20 DBED C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2cn(C)c(=O)nc2O)C1 1025619856 ZWQAYQYUWXWMNR-VXGBXAGGSA-N 318.377 -0.051 30 20 DBED CC#CCN1C[C@H]2[C@H](NC(=O)[C@]34C[C@H]5C[C@@H](C(=O)N3)[C@H]4C5)[C@H]2C1 1025824954 SEIJQEJODHUBPI-UVEIOOHHSA-N 313.401 -0.029 30 20 DBED C=C(C)CN[C@@H]1CC[C@@H]2CN(C(=O)CN3CCNC(=O)C3)C[C@@H]21 1026330567 JNXQYEVMSSIMQL-QLFBSQMISA-N 320.437 -0.179 30 20 DBED CC#CCN1CC[C@H](CNC(=O)[C@@H]2CCN(C)S2(=O)=O)C1 1028861736 BHFZSAISLUKFAY-OLZOCXBDSA-N 313.423 -0.518 30 20 DBED C=CCCN1[C@H]2CC[C@H]1CN(C(=O)Cn1cnc(C(N)=O)n1)C2 1029314210 IWQMMTJHEZSIIH-RYUDHWBXSA-N 318.381 -0.372 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCC1CN(CC(=O)NC2CC2)C1 1031740416 BPZMNLQOAILXCR-HNNXBMFYSA-N 318.421 -0.589 30 20 DBED C=CCN1CC(CNC(=O)c2cn(CC(=O)N(C)C)nn2)C1 1032206560 DEWLZWCFHZEKEV-UHFFFAOYSA-N 306.370 -0.786 30 20 DBED C#CCCN1CCO[C@H](CNC(=O)c2cnc(N(C)C)cn2)C1 1035369497 DILUIKZUAIFOQZ-CYBMUJFWSA-N 317.393 -0.004 30 20 DBED Cc1nn(C)c(=O)c(C(=O)NC[C@@H]2CN(CC#N)CCO2)c1C 1035468327 ZJTTYLUUDURMTM-GFCCVEGCSA-N 319.365 -0.649 30 20 DBED C[C@H]1CN(C(=O)CN2CCN(C)C(=O)C2)CC[C@H]1NCC#N 1036083566 YOYXQDMVPOJTPR-QWHCGFSZSA-N 307.398 -0.889 30 20 DBED C[C@H]1CN(C(=O)c2cnn3c(=O)cc[nH]c23)CC[C@@H]1NCC#N 1036218232 KEAXBXXHABCQCR-JQWIXIFHSA-N 314.349 -0.014 30 20 DBED C=C(C)CN[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C[C@@H]1C 1036283236 FJIFUJQXURXLLW-NWDGAFQWSA-N 308.382 -0.059 30 20 DBED C#CCCN1CC[C@@H]2CN(C(=O)CN3CCOCC3=O)CC[C@@H]21 1036739059 SCDKGZAHYHESCC-CABCVRRESA-N 319.405 -0.209 30 20 DBED C#CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)c1c(C)c[nH]c1CC(N)=O 1037592570 UJZBIDAPOQWVKM-GMXABZIVSA-N 300.362 -0.213 30 20 DBED CC[C@H]1CN(C(=O)CN2CC(=O)N(C)C2=O)CC[C@@H]1NCC#N 1037969295 WLVNNJWBFVQEFH-RYUDHWBXSA-N 321.381 -0.379 30 20 DBED C=CCOCC(=O)N1CC[C@@](O)(CNC(=O)[C@H]2CCOC2)C1 1040049419 LUCOJHSCSVMCIR-SWLSCSKDSA-N 312.366 -0.695 30 20 DBED C[C@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)c2cncn2C)C1 1040767039 VWDANXPURKSEGN-YGRLFVJLSA-N 305.338 -0.727 30 20 DBED Cc1c[nH]c(C(=O)N[C@@H]2CN(c3ccc(C#N)nn3)C[C@H]2O)n1 1041377134 GJOPMMRDTJBOAP-GHMZBOCLSA-N 313.321 -0.641 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)Cc2cc(C)nn2C)C1 1041966661 QVIWRKBJWRLRSW-UHFFFAOYSA-N 320.393 -0.073 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)CN(C)C(=O)C2CC2)C1 1041969131 FHIJWKSETYHHTI-UHFFFAOYSA-N 323.393 -0.490 30 20 DBED N#Cc1ccc(C(=O)NCC2(O)CN(C(=O)[C@@H]3CC34CC4)C2)[nH]1 1042616642 XCKJMFKJRDLJMF-NSHDSACASA-N 314.345 -0.010 30 20 DBED C#CCCCCC(=O)NCC1(O)CN(C(=O)[C@H](O)C(C)C)C1 1042655522 PSSZLIUUSZVQKI-CQSZACIVSA-N 310.394 -0.114 30 20 DBED Cc1nc(O)[nH]c1C(=O)N1CC(O)(CNC(=O)C#CC(C)C)C1 1042940937 HIRIDBUNTRRTDL-UHFFFAOYSA-N 320.349 -0.614 30 20 DBED C=C(C)CCC(=O)NCC1(O)CN(C(=O)Cn2ccnc2)C1 1043314251 CRSOJACDDOOUNT-UHFFFAOYSA-N 306.366 -0.071 30 20 DBED C=C(C)C(C)(C)C(=O)N1CC(O)(CNC(=O)c2cnn[nH]2)C1 1043812073 DGJYDCKVKKVHCE-UHFFFAOYSA-N 307.354 -0.290 30 20 DBED N#Cc1cnc(N2C[C@H](O)[C@H](NC(=O)[C@@H]3CCCO3)C2)c(F)c1 1043825619 JTGMNCVPNQTAOI-AGIUHOORSA-N 320.324 -0.063 30 20 DBED CO[C@@H](C(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1)C1CCC1 1044089674 VIJMWKFXODRIME-OAHLLOKOSA-N 320.389 -0.096 30 20 DBED C=C(C)CN[C@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)[C@@H](C)C1 1044606355 GKZZVMSRQIUPGR-RYUDHWBXSA-N 320.397 -0.078 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)C2(F)CCOCC2)C1 1045565522 ZFGRMLIPMKMQSI-JTQLQIEISA-N 313.329 -0.646 30 20 DBED N#CCN1CCC2(CC1)CO[C@H](CNC(=O)[C@H]1CCNC1=O)C2 1045676663 HQZUZAATBPUIOX-STQMWFEESA-N 320.393 -0.367 30 20 DBED N#CCN1CC[C@H](N2CCN(C(=O)CN3CCCC3)CC2)C1 1046082255 PPXPLGCCIVSJDK-HNNXBMFYSA-N 305.426 -0.176 30 20 DBED Cc1cc(=O)oc(C)c1C(=O)N(C)[C@H]1CN(CC#N)C[C@@H]1O 1047450564 HCIDRSOPQRAXHL-RYUDHWBXSA-N 305.334 -0.103 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2c(OC)ccnc2O)C1 1047598911 XDRQHGKZQCOCNN-RYUDHWBXSA-N 319.361 -0.064 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C2(CN(C)C)CC2)C1 1049345151 QWFILCFWUROGMZ-AVGNSLFASA-N 322.409 -0.482 30 20 DBED C#CCCN1CCOC[C@H]1CNC(=O)c1ccnc(OC)n1 1051019092 BBYGGGVMECVCCD-GFCCVEGCSA-N 304.350 -0.061 30 20 DBED C=CCN1CCOC[C@H]1CNC(=O)[C@@H]1CCCCN1C(N)=O 1051200897 DNMYLEAUOISKFE-OLZOCXBDSA-N 310.398 -0.077 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](N2CCN(Cc3cnon3)CC2)C1 1051998388 SHMVJQCBFCDJFE-GXTWGEPZSA-N 318.381 -0.052 30 20 DBED C#CCCN1CCN([C@@H]2CCN(C(=O)c3cnn(C)n3)C2)CC1 1052098208 FLTAPJFOOSWIKX-CQSZACIVSA-N 316.409 -0.330 30 20 DBED CC[C@H](C(N)=O)N1CC2(CN(C(=O)C#CC3CC3)CCO2)C1 1053250664 QTKXBUHVUBRLPB-CYBMUJFWSA-N 305.378 -0.423 30 20 DBED CC[C@@]1(C(=O)N2CCOC3(CN(CC#N)C3)C2)CCNC1=O 1053292215 VUXHTLDQKBPSKY-OAHLLOKOSA-N 306.366 -0.661 30 20 DBED C#CCN1CC2(C1)CN(C(=O)[C@]1(C)CCNC(=O)C1)CCO2 1053305598 CWMAHHNRCNRPBH-OAHLLOKOSA-N 305.378 -0.551 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)[C@@H]1CCC(=O)NC1)CCO2 1053324453 DRMGDPFPEGLQTO-CYBMUJFWSA-N 305.378 -0.551 30 20 DBED C#CCN1CC2(CC[C@@H](CNC(=O)c3cnn(CC)n3)O2)C1 1053596320 QFCLLBZGVCPOKV-LBPRGKRZSA-N 303.366 -0.106 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)c3ccn(C)c(=O)c3)CO2)C1 1053849321 HIMSMWZIKAOABU-CQSZACIVSA-N 315.373 -0.018 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)c3cccc4ncnn34)CO2)C1 1053859174 CFLAYZZDLXUJMS-NSHDSACASA-N 312.333 -0.174 30 20 DBED C[C@H]1CN(C(=O)Cc2nnn(C(C)(C)C)n2)C[C@@H]1NCC#N 1054682931 YKZQZLJXBIXIJT-QWRGUYRKSA-N 305.386 -0.069 30 20 DBED COCCn1nc(C(=O)N2C[C@@H](C)[C@@H](NCC#N)C2)ccc1=O 1054878302 AQAHAHZPJFZHAH-YPMHNXCESA-N 319.365 -0.537 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2CN(C(=O)CNC(C)=O)C[C@@H]2C1 1055137228 OREVVJFMEGMRLQ-FPMFFAJLSA-N 321.377 -0.922 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H]2CN(C(=O)[C@H](F)CC)C[C@H]2C1 1055294873 XQCHBKBMMNCAEA-FRRDWIJNSA-N 323.368 -0.209 30 20 DBED N#Cc1ccc(N2CCN(C(=O)CCn3cnnn3)CC2)nc1 1055882850 NGPLJUQVDADMKL-UHFFFAOYSA-N 312.337 -0.321 30 20 DBED N#Cc1nccnc1N1CCN(C(=O)[C@H]2CC[C@H]2C(N)=O)CC1 1055974156 YAYAOAZLFCLYDC-MNOVXSKESA-N 314.349 -0.492 30 20 DBED C[C@]1(C(=O)N2CCN(c3nccnc3C#N)CC2)CCNC1=O 1056018950 YVYSCOBQMSQLDH-HNNXBMFYSA-N 314.349 -0.477 30 20 DBED Cn1ncc(C(=O)NC2[C@@H]3CN(c4ccc(C#N)nc4)C[C@@H]23)n1 1056257346 PVRMAICJNOXQFC-VXGBXAGGSA-N 309.333 -0.054 30 20 DBED N#Cc1ccc(N[C@@H]2CCN(C(=O)[C@@H]3COC(=O)N3)C2)nn1 1056617754 DUVMMOKWKNWBIB-ZJUUUORDSA-N 302.294 -0.531 30 20 DBED CN(c1cncc(C#N)n1)[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 1057013135 XVRWUCRRMAAHSC-MNOVXSKESA-N 315.337 -0.933 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)COCC=C 1057193750 OZIOWVZHMUOTAZ-UHFFFAOYSA-N 300.355 -0.671 30 20 DBED CCCOCC(=O)NCCN(CCO)C(=O)c1cc(C#N)c[nH]1 1057291332 ANGYUMPKPAUHKG-UHFFFAOYSA-N 322.365 -0.136 30 20 DBED C=CCO[C@H](C)C(=O)NCCN(CCO)C(=O)c1ncc[nH]1 1057521256 AXTNBPVSKQTAFZ-LLVKDONJSA-N 310.354 -0.449 30 20 DBED NC(=O)CCCCC(=O)NCCN(CCO)C(=O)C#CC1CC1 1057535089 JBHZHHWLCUAFNW-UHFFFAOYSA-N 323.393 -0.617 30 20 DBED C=C[C@@H](C(=O)N(CCO)CCNC(=O)C(N)=O)c1ccccc1 1057798142 QOCQHTFOXBERKX-CYBMUJFWSA-N 319.361 -0.621 30 20 DBED Cc1ccc(C#N)c(N2CC[C@@H](NC(=O)c3nnn(C)n3)C2)n1 1058516585 OWVINNQLZGVXNL-LLVKDONJSA-N 312.337 -0.206 30 20 DBED Cn1cc(C(=O)N2[C@H]3CC[C@H]2CN(c2nccnc2C#N)C3)nn1 1058753399 RANSBDVHPCYFAD-QWRGUYRKSA-N 324.348 -0.030 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H]1CC[C@H]2CN(C(=O)CC(N)=O)C[C@@H]21 1060522666 BWNDKLUAEQYZBW-VHRBIJSZSA-N 313.361 -0.101 30 20 DBED N#Cc1nccnc1NC[C@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 1060955483 SXPDTLJGLPGRRM-GHMZBOCLSA-N 314.349 -0.255 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 1060972280 HGVFNYOHTFSXKE-MFKMUULPSA-N 314.349 -0.683 30 20 DBED C=CCOCC(=O)N1CCOC[C@@H]1CNC(=O)[C@H](C)COC 1061416967 SCPBNMIPUVWRRI-OLZOCXBDSA-N 314.382 -0.185 30 20 DBED C=CCCC(=O)N1CCOC[C@@H]1CNC(=O)c1cnnn1C 1061546695 VWESHLDASYPIGL-NSHDSACASA-N 307.354 -0.262 30 20 DBED C#CCOCCC(=O)NC[C@@H]1COCCN1C(=O)c1ncc[nH]1 1061581245 NORAVPBOHXOHMZ-GFCCVEGCSA-N 320.349 -0.593 30 20 DBED C#CCNC(=O)CC(=O)NCC1(NC(=O)c2ccon2)CCC1 1062829724 XTWGFPADSVXORX-UHFFFAOYSA-N 318.333 -0.417 30 20 DBED O=C(C#CC1CC1)NCC1(NC(=O)Cn2nccn2)CCC1 1062977139 DYTSNOMCTMSJEQ-UHFFFAOYSA-N 301.350 -0.153 30 20 DBED Cc1cc(C#N)nc(N[C@@H]2CCN(C(=O)C(N)=O)[C@@H](C)C2)n1 1064821862 BZPDJPZTYIYGJJ-VHSXEESVSA-N 302.338 -0.067 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(C(=O)Cc2ncc[nH]2)CCO1 1065522664 XRVFBUIVNWBBPD-CYBMUJFWSA-N 316.361 -0.291 30 20 DBED COCCC(=O)N1CCN([C@H]2CCN(C(=O)[C@H](C)C#N)C2)CC1 1065711190 JESQXVPMEJEPPI-KGLIPLIRSA-N 322.409 -0.072 30 20 DBED N#Cc1nc(=NCC2CC(NC(=O)Cn3ccnc3)C2)cc[nH]1 1067854838 AUKOLOYCGPKUPS-UHFFFAOYSA-N 311.349 -0.026 30 20 DBED C=CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H]2COCCO2)C1 1069898382 KWACUXXRTLUXHV-RDBSUJKOSA-N 321.381 -0.389 30 20 DBED Cc1cc(C(=O)N[C@@H]2CN(CC#N)C[C@@H]2n2ccnn2)ncn1 1069910440 USLHOMVMWXRPNR-OLZOCXBDSA-N 312.337 -0.445 30 20 DBED CN1CCCC[C@@H]1C(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1 1069959456 WLLOSSSOFUTXON-MCIONIFRSA-N 317.397 -0.373 30 20 DBED C#CCOCCC(=O)N1CCC[C@@H](NC(=O)c2cnon2)C1 1070728565 WZBIUTUOYQAKDN-LLVKDONJSA-N 306.322 -0.170 30 20 DBED C=CCCN1CC[C@@]2(C1)CN(C(=O)Cn1ncnn1)C[C@@H](C)O2 1071169860 XTIHJZVIDVDJTG-UKRRQHHQSA-N 320.397 -0.059 30 20 DBED C#CCN1C[C@@H](NC(=O)CN2CCC(=O)NC2=O)CC[C@@H]1C 1071968200 RVXNMLFQWHZQBJ-RYUDHWBXSA-N 306.366 -0.469 30 20 DBED CC#CCCCC(=O)N[C@H]1CN(C(=O)Cn2ncnn2)C[C@H]1C 1072162114 VGNDQLPENLLVFW-OLZOCXBDSA-N 318.381 -0.170 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)c2cc(OC)n(C)n2)C1 1073689862 FEHAMYULMKVXFN-GFCCVEGCSA-N 306.366 -0.117 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)c2cccn(C)c2=O)C1 1073859631 PIXBTAFQHLVFFH-ZDUSSCGKSA-N 303.362 -0.161 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)c2cncc(C(N)=O)c2)C1 1073893087 JLHWAQGJLXFVGT-CQSZACIVSA-N 316.361 -0.366 30 20 DBED C#CCCN1CCCO[C@@H](CNC(=O)c2cn(C)c(=O)n2C)C1 1073904927 QJRSFNNBKWRYLZ-ZDUSSCGKSA-N 320.393 -0.432 30 20 DBED CC(C)C#CC(=O)N1C[C@H]2CCN(C(=O)C(N)=O)CC[C@H]2C1 1074359782 GHFLKIXORRLXLZ-BETUJISGSA-N 305.378 -0.172 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)CCOCC 1075900654 VVCQZBVTWAWYMV-LBPRGKRZSA-N 311.382 -0.437 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)c2ccc(N(C)C)nc2)C1 1077282029 HCIAVVLDMQXMFK-ZIAGYGMSSA-N 302.378 -0.054 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)C(C)(C)N2CCOCC2)C1 1077843801 IUWAWERGWUHYNO-ZIAGYGMSSA-N 311.426 -0.165 30 20 DBED C=CCCCC(=O)NCC[C@H](C)NC(=O)CN1C(=O)CNC1=O 1078098435 OTUBWAVRBCRNRM-NSHDSACASA-N 324.381 -0.095 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3nncn3C2)C1 1078223613 IORRFPWTGJOFPP-MGPQQGTHSA-N 319.409 -0.032 30 20 DBED C#CCN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)CN1CC(=O)NC1=O)C2 1079064580 QMFAMOVHHGVZHC-IJLUTSLNSA-N 304.350 -0.860 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(N(CC)C(=O)[C@@H]2COCCO2)C1 1079349991 UTBGIMDTDMPXSM-OCCSQVGLSA-N 324.377 -0.501 30 20 DBED C#CCOCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C(C)(C)F)C1 1081176060 TXKKSYFSSIQSIX-NWDGAFQWSA-N 314.357 -0.290 30 20 DBED C#CCOCCC(=O)N1C[C@H](CNC(=O)C(C)(C)F)[C@@H](O)C1 1081176061 TXKKSYFSSIQSIX-RYUDHWBXSA-N 314.357 -0.290 30 20 DBED CSCC(=O)NC[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1O 1081238239 ZYKGYCJCYUPQQP-BXKDBHETSA-N 322.390 -0.202 30 20 DBED C=CCOCC(=O)N1C[C@H](CNC(=O)c2ccc[nH]2)[C@@H](O)C1 1081247714 GSUPQBBLNAOLME-AAEUAGOBSA-N 307.350 -0.234 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)c2ccncn2)C[C@@H]1O 1081335715 ORGVNUSWNXEYAH-AAEUAGOBSA-N 304.350 -0.008 30 20 DBED CCOCCC(=O)NC[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 1081342369 XZFVFCCQTYSOPW-KBPBESRZSA-N 308.378 -0.238 30 20 DBED CC#CCCCC(=O)NC[C@H]1CN(C(=O)CC(=O)NC)C[C@H]1O 1081669710 WPYVEZNIRGCYOV-QWHCGFSZSA-N 323.393 -0.748 30 20 DBED CCn1nncc1CN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H](C)C#N 1083026012 KXMHZWMNOQRLKE-FPMFFAJLSA-N 318.381 -0.131 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)C[C@@H]1CCC(=O)NC1 1083103912 LDMHHLVNKGOLDH-SOUVJXGZSA-N 319.405 -0.162 30 20 DBED C=C(C)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1c[nH]c(=O)cn1 1083177783 MYUBRQGGMYJXMN-QWHCGFSZSA-N 304.350 -0.129 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)c2ccnc3c2CC(=O)N3)C1 1083604367 TVCKGSPFJNWURB-OLZOCXBDSA-N 314.345 -0.626 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN(CCN3CCNC3=O)C[C@@H]2O)C1 1083763503 NPWOJUSSDRRXMD-OLZOCXBDSA-N 322.409 -0.471 30 20 DBED N#CCN1CC[C@@H]2CN(C(=O)[C@H]3CCc4nncn4C3)[C@@H]2C1 1084848995 IWHTWVNMNRSSFV-FRRDWIJNSA-N 300.366 -0.103 30 20 DBED Cc1cc(N2CCCO[C@H](CNC(=O)C(N)=O)C2)c(C#N)cn1 1089557571 ZSVQDQLNGJZJDQ-GFCCVEGCSA-N 317.349 -0.542 30 20 DBED N#CCN1CC[C@H](NC(=O)Cc2cnn3ccccc23)[C@@H](O)C1 1090330431 WDRZSZZLWDYVON-ZFWWWQNUSA-N 313.361 -0.048 30 20 DBED C=CCCN1CC[C@@H](NC(=O)CN2CCCNC2=O)[C@H](O)C1 1090387734 ARKYUKRGHVDANN-CHWSQXEVSA-N 310.398 -0.471 30 20 DBED CC1CCN(C(=O)C(=O)N[C@H]2CCN(CC#N)C[C@H]2O)CC1 1090629077 FEPQRVRLRNVTGZ-QWHCGFSZSA-N 308.382 -0.680 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2ccc(C(N)=O)cn2)[C@@H](O)C1 1090843781 LFXICKLTCDSJJK-OCCSQVGLSA-N 316.361 -0.631 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1C[C@H](CNC(=O)Cn2cncn2)C1 1091457688 RJVKBOSPWGNYHS-AULYBMBSSA-N 311.349 -0.026 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCN(c2ccc3nnnn3n2)CC1 1093148506 LLNMNZYEAARYIK-CQSZACIVSA-N 317.353 -0.505 30 20 DBED COC[C@@H](OC)C(=O)N1CCN(c2nc(C)cc(C#N)n2)CC1 1093193186 DPRTWXRLVPEZRJ-CYBMUJFWSA-N 319.365 -0.033 30 20 DBED CC(C)(C(=O)NCCNc1ccc(C#N)nn1)N1CCOCC1 1093732833 AGZYBNZYPYZBLW-UHFFFAOYSA-N 318.381 -0.013 30 20 DBED Cn1cnn(CCC(=O)NCCNc2ccc(C#N)nc2)c1=O 1094001397 ZFCMNJKUBRKBEC-UHFFFAOYSA-N 315.337 -0.533 30 20 DBED N#Cc1cncc(NCCNC(=O)[C@@H]2CCCCC(=O)N2)n1 1094113444 ULGNPVZAWXEMHW-NSHDSACASA-N 302.338 -0.065 30 20 DBED N#CCN1CC(N2C[C@H](NC(=O)c3ccnnc3)CC2=O)C1 1094790030 BKDJSOFQLMTKJX-LLVKDONJSA-N 300.322 -0.985 30 20 DBED C#CCNC(=O)CC(=O)N1CCCN(c2cc(F)ncn2)CC1 1095177400 QKQYLTYTGGSCOI-UHFFFAOYSA-N 319.340 -0.206 30 20 DBED N#Cc1cnc(N[C@@H]2CCCN(C(=O)CNC(N)=O)C2)cn1 1095274653 QCNNFCSRCCVHDF-SECBINFHSA-N 303.326 -0.581 30 20 DBED C[C@H](CC(N)=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)nn2)C1 1096218145 CGTVDSCIBHLCHV-PWSUYJOCSA-N 316.365 -0.055 30 20 DBED N#Cc1cnc(N2CC[C@H](NC(=O)CNC(N)=O)C2)c(F)c1 1096322576 LBLDOUUEVMZSOY-VIFPVBQESA-N 306.301 -0.544 30 20 DBED CNC(=O)NCCC(=O)NC[C@H](C)Nc1nc(C)cc(C#N)n1 1097806713 SNVLUKLORBOAGH-JTQLQIEISA-N 319.369 -0.108 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCS(=O)(=O)N1)Nc1ccc(C#N)nc1 1097875456 UOWYJURANXRBIY-JOYOIKCWSA-N 323.378 -0.438 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCC(=O)NC1)Nc1cnc(C#N)cn1 1098396919 CZRFVBHVCSDEEL-UWVGGRQHSA-N 302.338 -0.209 30 20 DBED COC(=O)NCC(=O)N1CC[C@H](CNc2nccnc2C#N)C1 1098502458 AJAVDHAPFHVMRE-SNVBAGLBSA-N 318.337 -0.035 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)C(C)(F)F)[C@H](O)C1 1099614671 XLALZMFJEZYYEZ-NXEZZACHSA-N 305.325 -0.505 30 20 DBED C[C@H](CCNC(=O)[C@]1(C)CCC(=O)N1)N=c1cc[nH]c(C#N)n1 1099671919 CGAFLNDIALWLJN-BMIGLBTASA-N 316.365 -0.254 30 20 DBED CCn1ncc(C(=O)NCCN(C)c2cncc(C#N)n2)n1 1100061305 XKPKVOLSRGBDSO-UHFFFAOYSA-N 300.326 -0.174 30 20 DBED C#CCN1CC[C@@H](NC(=O)C(=O)Nc2cc(C)on2)[C@@H](O)C1 1100111485 FILFWWKJHVTSKC-MNOVXSKESA-N 306.322 -0.894 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)CN(C)C2CCC2)C1 1100410636 GJVLTEYSUKCQPH-UHFFFAOYSA-N 320.437 -0.296 30 20 DBED N#Cc1ccc(N2CCC[C@H]2CNC(=O)CNC(N)=O)nc1 1100779855 WNSUNBNQFLYHFI-NSHDSACASA-N 302.338 -0.293 30 20 DBED C=CCOCC(=O)N1C[C@H]2CN(CC(=O)NC(N)=O)C[C@@]2(C)C1 1101173009 GFKAAMVOHONAEF-ABAIWWIYSA-N 324.381 -0.836 30 20 DBED CN(CCN=c1cc[nH]cc1C#N)C(=O)CN1C(=O)CCC1=O 1101609833 YITTZVUSWYCHPV-UHFFFAOYSA-N 315.333 -0.606 30 20 DBED CNS(=O)(=O)CC(=O)N(C)CCNc1ncccc1C#N 1101627095 PTQBZCSIZPMNHC-UHFFFAOYSA-N 311.367 -0.627 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN([C@H]2CCN(C)C2=O)C[C@H]1C 1101960709 JQPTWLVWFGXWNU-KFWWJZLASA-N 321.421 -0.059 30 20 DBED C=CCOCCN1C[C@@H](C)[C@H](CNC(=O)[C@H]2CN(C)C(=O)N2)C1 1102226204 GMQXPUIPAYTHLK-MGPQQGTHSA-N 324.425 -0.103 30 20 DBED CC(=O)NCC(=O)N1CCC[C@@H]1CNc1cncc(C#N)n1 1103788008 NOTKRBWTAPURDQ-GFCCVEGCSA-N 302.338 -0.113 30 20 DBED Cc1conc1C(=O)N1CC(n2cc(CNCC#N)nn2)C1 1105356326 IXRWWEVUXVOQEL-UHFFFAOYSA-N 301.310 -0.115 30 20 DBED Cc1ocnc1C(=O)NC[C@@H](O)CN=c1cc[nH]cc1C#N 1105729505 OSLXSFPSCBOLOO-NSHDSACASA-N 301.306 -0.126 30 20 DBED C=CCOCC(=O)NC[C@@H](O)CNc1cc(C)nc(CO)n1 1105747520 HQUYHTGWIYDVBI-NSHDSACASA-N 310.354 -0.631 30 20 DBED Cc1cc(C(=O)NC[C@@H](O)CN=c2cc[nH]c(C#N)n2)ncn1 1105788498 LCPPKVLQPLMMGA-JTQLQIEISA-N 313.321 -0.929 30 20 DBED Cn1ccc(C(=O)NC[C@@H](O)CN=c2cc[nH]c(C#N)n2)c1 1105792581 PUPCNVYVNAMVNZ-NSHDSACASA-N 300.322 -0.689 30 20 DBED CN1CC[C@H](C(=O)NC[C@H](O)CNc2ccc(C#N)nn2)C1 1105853078 GRBNFFCSPYOUDG-CMPLNLGQSA-N 304.354 -0.811 30 20 DBED CCCN(C)CCC(=O)NC[C@H](O)CNc1cnc(C#N)cn1 1105917475 JNJWZVFEPFUKCO-CYBMUJFWSA-N 320.397 -0.031 30 20 DBED C[C@]1(C(=O)NC[C@@H](O)CNc2nccnc2C#N)CCOC1 1105939289 NRFUDJLVLHOMDF-HZMBPMFUSA-N 305.338 -0.336 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H](O)CNC(=O)CCCCC(N)=O 1105957985 QVCPIEPFCFGTMG-LBPRGKRZSA-N 319.365 -0.690 30 20 DBED C[C@@H]1OCCO[C@@H]1C(=O)NC[C@@H](O)CNc1ccc(C#N)cn1 1106162277 XJGZEHGUWQFBEE-JKOKRWQUSA-N 320.349 -0.354 30 20 DBED C[C@H](CCNc1nccnc1C#N)NC(=O)[C@@H]1CN(C)CCO1 1106294132 OYVURBONKNSGEN-YPMHNXCESA-N 318.381 -0.014 30 20 DBED C[C@@H]1CN(C(=O)CC[C@@H]2NC(=O)NC2=O)C[C@H]1CNCC#N 1106962818 XBXARVBBFPVWCL-MXWKQRLJSA-N 307.354 -0.818 30 20 DBED C[C@@]1(C(=O)NC/C=C/CN=c2cc[nH]c(C#N)n2)CCNC1=O 1107508669 NIXHUSWJCNBZAM-FAAWYNLUSA-N 314.349 -0.619 30 20 DBED N#Cc1nccnc1NC/C=C/CNC(=O)[C@@H]1CCC(=O)NC1 1107593321 VLVOXVBWGSSFHZ-FMBMQGQPSA-N 314.349 -0.041 30 20 DBED C#CCNC(=O)CN1CCO[C@@](C)(CNC(=O)c2ccon2)C1 1107773708 QEWURSNDQJYCKL-HNNXBMFYSA-N 320.349 -0.755 30 20 DBED CC#CCN1CC(N2C[C@@H](NC(=O)COC(C)C)CC2=O)C1 1108522949 ZMZWVUBEINCCQK-ZDUSSCGKSA-N 307.394 -0.164 30 20 DBED CCOCCN1CC(N2C[C@@H](NC(=O)[C@H](C)C#N)CC2=O)C1 1108528116 UBYUCRAHBRZZTP-NEPJUHHUSA-N 308.382 -0.416 30 20 DBED CN(CCCNc1cnc(C#N)cn1)C(=O)c1nnn(C)n1 1109588019 KNNCNJAYHKJEMZ-UHFFFAOYSA-N 301.314 -0.554 30 20 DBED N#Cc1cncc(NC[C@H](NC(=O)[C@H]2CCC(=O)N2)C2CC2)n1 1109793786 LCBQDZYABZDVQY-NEPJUHHUSA-N 314.349 -0.066 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1nc(O)n[nH]1 1110547121 BXSMOBMZENSMPG-QCNOEVLYSA-N 319.365 -0.230 30 20 DBED CNC(=O)CC(=O)N[C@]1(C)CCN(c2nc(C)cc(C#N)n2)C1 1110745193 FBNQOPBRPMBXEN-OAHLLOKOSA-N 316.365 -0.122 30 20 DBED C[C@@]1(NC(=O)CCNC(N)=O)CCN(c2ccnc(C#N)n2)C1 1110760541 OYXMQOHORRTITB-CQSZACIVSA-N 317.353 -0.508 30 20 DBED CO[C@H](C)C(=O)NC[C@]1(O)CCN(c2nccnc2C#N)C1 1111027028 ZCTULCVCXWUNRH-QMTHXVAHSA-N 305.338 -0.559 30 20 DBED CSCC(=O)NC[C@]1(O)CCN(c2cnc(C#N)cn2)C1 1111031752 LEXLVWGIPMTYHY-CYBMUJFWSA-N 307.379 -0.231 30 20 DBED N#Cc1nccnc1NCCN(CCO)C(=O)C1=CCOCC1 1111457376 VVUVIVMAUOMLRO-UHFFFAOYSA-N 317.349 -0.072 30 20 DBED CC(C)[C@@H](O)C(=O)NC[C@H]1COCCN1c1ccc(C#N)nn1 1111682733 DQMHOEOGLQRJAE-GXTWGEPZSA-N 319.365 -0.313 30 20 DBED N#Cc1cncc(NCC2CC(NC(=O)CNC(N)=O)C2)n1 1112817162 YBWIKUTVCTVAPN-UHFFFAOYSA-N 303.326 -0.677 30 20 DBED C[C@H](N=c1cc[nH]c(C#N)n1)[C@@H](C)NC(=O)CCc1nc[nH]n1 1112966336 OXKJYJGVYLYKTQ-VHSXEESVSA-N 314.353 -0.174 30 20 DBED C=CCOCCN1CCN(C(=O)Cn2ccc(O)nc2=O)CC1 1113075995 KNLXMNAEQLSYQJ-UHFFFAOYSA-N 322.365 -0.704 30 20 DBED CNC(=O)C1(C(=O)N[C@H](C)[C@H](C)N=c2cc[nH]c(C#N)n2)CC1 1113086527 FXUDWXBGFVTVMV-VHSXEESVSA-N 316.365 -0.399 30 20 DBED Cc1nsc(N(C)[C@@H](C)CNC(=O)Cn2cnnn2)c1C#N 1113486700 FHTCETCQPMXUOM-QMMMGPOBSA-N 320.382 -0.049 30 20 DBED CNC(=O)NCCC(=O)NC[C@@H](C)N(C)c1ccc(C#N)nn1 1113597354 SQTLMZAKKGABGN-SNVBAGLBSA-N 319.369 -0.392 30 20 DBED C[C@H](CNC(=O)C[C@@H]1CCC(=O)N1)N(C)c1nccnc1C#N 1113652459 XONXCECCGULMIA-MNOVXSKESA-N 316.365 -0.042 30 20 DBED C=CCCOCC(=O)N1CCN(C[C@H](O)Cn2cccn2)CC1 1113710892 YHNPAZQDHGBQFU-HNNXBMFYSA-N 322.409 -0.019 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CCN(C)C1=O)N(C)c1cnc(C#N)cn1 1113826806 MPWLMDAQRJKTFZ-JQWIXIFHSA-N 316.365 -0.233 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)COC(C)(C)C)[C@H]2C1 1114164121 QTWCYJCWGHKBAV-RYUDHWBXSA-N 307.394 -0.403 30 20 DBED Cc1cnccc1C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1114240607 YSEVESUQVBJURU-NHAGDIPZSA-N 313.361 -0.310 30 20 DBED C#CCO[C@H](C)C(=O)NC1[C@H]2CN(CC(=O)N(C)C(C)C)C[C@H]12 1114271191 QSQCGLCOAMKHEU-RDBSUJKOSA-N 321.421 -0.062 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)c3cnn[nH]3)[C@@H]2C1 1114515524 FVQXYFUEOIZWDM-IVZWLZJFSA-N 304.354 -0.845 30 20 DBED C=CC(C)(C)C(=O)NC1[C@H]2CN(CC(=O)NC(=O)NC)C[C@H]12 1114683981 YKFVOUMYTUOUAQ-UWVGGRQHSA-N 308.382 -0.299 30 20 DBED CC#CCCCC(=O)NC1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]12 1114710437 CXGPRRAKXNVMJH-CHWSQXEVSA-N 302.378 -0.134 30 20 DBED N#CCN1C[C@H]2[C@H](NC(=O)COc3ccc(C(N)=O)cc3)[C@H]2C1 1115261275 NMQBTPJBZNCLBS-NHAGDIPZSA-N 314.345 -0.266 30 20 DBED CCNC(=O)C1(CNC(=O)C(=O)N2CC[C@@](F)(C#N)C2)CCC1 1117640133 VWNOBMUMTHKEFV-OAHLLOKOSA-N 324.356 -0.127 30 20 DBED C#CCSCCNC(=O)C(=O)N1CCO[C@@H](C(F)F)C1 1119074908 XYAMBEQZBPCSBE-SECBINFHSA-N 306.334 -0.039 30 20 DBED C#CCSCC(=O)NC1(C(=O)OC)CCS(=O)(=O)CC1 1119454105 RADNIMILTAZTNR-UHFFFAOYSA-N 319.404 -0.411 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)c2ccc(O)nn2)nc1 1121177254 IGPURIZCNPDKKS-JTQLQIEISA-N 314.305 -0.348 30 20 DBED C[C@H](C(=O)NC[C@H](CO)Nc1nccnc1C#N)n1cncn1 1121345943 JFDIVOCSHXCAGQ-NXEZZACHSA-N 316.325 -0.910 30 20 DBED Cc1cc(=N[C@H](CO)CNC(=O)[C@H](O)C(C)C)c(C#N)c[nH]1 1121393321 QKADVUXVLXQOIM-GXTWGEPZSA-N 306.366 -0.411 30 20 DBED Cn1cnc(C(=O)NC[C@H](CO)Nc2ncccc2C#N)n1 1121433069 TZPKYGICHSPOND-SNVBAGLBSA-N 301.310 -0.715 30 20 DBED Cc1nc[nH]c1CC(=O)NC[C@@H](CO)N=c1cc[nH]cc1C#N 1121855028 RRKANAQTRIIAQF-LBPRGKRZSA-N 314.349 -0.462 30 20 DBED C#CCCNC1CC2(C1)CC(NC(=O)CN1CC(=O)NC1=O)C2 1121918956 KIELJQZLSXZJBX-UHFFFAOYSA-N 318.377 -0.422 30 20 DBED COCCOCC(=O)N1CC[C@H](N=c2cc[nH]c(C#N)n2)[C@H]1C 1122951921 ZEMIZTKAKKOMFP-NEPJUHHUSA-N 319.365 -0.166 30 20 DBED C[C@@H]1C[C@@H](Nc2cncc(C#N)n2)CN1C(=O)CCNC(N)=O 1123230845 JTWOYZQPXXJDMA-NXEZZACHSA-N 317.353 -0.192 30 20 DBED C[C@@H](C#N)C(=O)N(C)C[C@H](O)CNc1ncnc2c1nnn2C 1124191474 MWHNAYBGSVCDBU-DTWKUNHWSA-N 318.341 -0.851 30 20 DBED CN(C[C@@H](O)CNc1cnc(C#N)cn1)C(=O)c1ccn(C)n1 1124353322 VQJNFOGCZCDVLW-NSHDSACASA-N 315.337 -0.373 30 20 DBED COCCN(CCNC(=O)[C@H](C)OC)c1nccnc1C#N 1126238205 LYRDAIDYHUXBHB-NSHDSACASA-N 307.354 -0.048 30 20 DBED CN(C(=O)CCNC(N)=O)C1CC(Nc2nccnc2C#N)C1 1126946160 QVHRHODTARGLHJ-UHFFFAOYSA-N 317.353 -0.192 30 20 DBED CN(CCOCCNc1ccc(C#N)cn1)C(=O)CNC(N)=O 1127167622 AEMGDTOPJLYMOL-UHFFFAOYSA-N 320.353 -0.492 30 20 DBED N#CCN1CCn2ncc(CNC(=O)CN3CCOCC3)c2C1 1128307364 WICVDTCVIBXLML-UHFFFAOYSA-N 318.381 -0.829 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)CCc2ccncn2)C1=O 1128428899 ZFYYSFIBYRPEMJ-CQSZACIVSA-N 317.393 -0.098 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(CC#CC)C[C@@H]1n1ccnn1 1128929111 BWFDWQMFHIRDSS-IJEWVQPXSA-N 317.393 -0.030 30 20 DBED C=CCCCC(=O)N[C@@H]1CN([C@@H](C)C(N)=O)C[C@@H]1n1ccnn1 1129210713 UUVFGPSQMSZIQB-XQQFMLRXSA-N 320.397 -0.150 30 20 DBED C=C(C)CN[C@@H]1CN(C(=O)CNC(=O)OC)C[C@@H]1n1ccnn1 1129633971 WGVSFFRDBSBQSL-NEPJUHHUSA-N 322.369 -0.448 30 20 DBED CC(C)C#CC(=O)N1C[C@H]2C[C@@H]3CN(CC(N)=O)C[C@]2(C1)O3 1131231232 WXYOMFXDCAUTNU-XJKCOSOUSA-N 305.378 -0.567 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)CCOCCOC)C[C@@]3(C1)O2 1131293919 BKOAZHVQDLQETA-ZMSDIMECSA-N 322.405 -0.026 30 20 DBED C[C@@H]1CCc2n[nH]cc2[C@H]1C(=O)NCCNCC(=O)NCC#N 1131513527 HBTYZNACQHJNMK-YGRLFVJLSA-N 318.381 -0.579 30 20 DBED CC#CCN1CC[C@@]2(C1)CN(C(=O)CNC(C)=O)C[C@H](C)O2 1131623758 AOCIVEMQSOPSEL-XJKSGUPXSA-N 307.394 -0.162 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)c1c(O)nnc(C)c1C 1132191637 PJQZGVMFDUZWRO-NSHDSACASA-N 321.381 -0.191 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)CN2CCCC2)CC[C@@H]1C 1132489431 JJSGUPWIRABXKD-GJZGRUSLSA-N 320.437 -0.199 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)Cc1ccco1 1135597455 LOLWEPUEVRVXQK-LLVKDONJSA-N 322.365 -0.072 30 20 DBED C#CCO[C@H](C)C(=O)N1CC2(CCN(CCn3cncn3)C2)C1 1147541363 NRQYBWHFSOVGMS-CQSZACIVSA-N 317.393 -0.149 30 20 DBED C#CCOc1ncccc1C(=O)NCCNCCn1cncn1 1148302088 BKQXQAYHHGTTBR-UHFFFAOYSA-N 314.349 -0.295 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H]1CN(CCCF)CCCO1 1149589975 WKGDXJQPJPSAAW-ZDUSSCGKSA-N 313.373 -0.307 30 20 DBED CC(C)c1nnnn1CC(=O)NC[C@H]1CN(CC#N)CCCO1 1150425428 IVGKNWPQJXXMOZ-LBPRGKRZSA-N 321.385 -0.473 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)CN2CCOCC2)C1=O 1156759421 FZSHZZKNKSFEOD-AWEZNQCLSA-N 324.425 -0.799 30 20 DBED N#CCNC(=O)CNCCCNC(=O)c1cccc2ncnn12 1161907167 JOQQTXWWOONIGP-UHFFFAOYSA-N 315.337 -0.921 30 20 DBED C#CCNC[C@@H]1CCN(C(=O)CS(=O)(=O)N(C)C)C[C@H]1C 1185604676 NZTJBUSFSSHDIG-OLZOCXBDSA-N 315.439 -0.415 30 20 DBED C#CCNC[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C[C@H]1C 1185641839 ROBAIPRVFPPYDP-NEPJUHHUSA-N 306.366 -0.754 30 20 DBED N#CCNC(=O)CN[C@@H]1CCN(C(=O)c2cnoc2C2CC2)C1 1186738980 KOOOTQDVMIBOOX-LLVKDONJSA-N 317.349 -0.004 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)CNC(=O)[C@@H](C)CC)C1 1187901621 HGXCFEFSQHGXMF-QWHCGFSZSA-N 322.409 -0.911 30 20 DBED CCN(CC)CC(=O)N1CC[C@H]2CN(CC(=O)NCC#N)C[C@H]21 1189471520 VFVGEOSTMRBJRR-UONOGXRCSA-N 321.425 -0.499 30 20 DBED CN(CC(=O)NCC#N)[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 1189564864 HYSVOSSNAWCDQY-GFCCVEGCSA-N 314.349 -0.328 30 20 DBED CN(CC(=O)NCC#N)[C@H]1CCN(C(=O)CC2(O)CCC2)C1 1190013625 GGSGSPXOCMXLPN-LBPRGKRZSA-N 308.382 -0.536 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@H](N(C)Cc2nnnn2C)C1 1190094926 OOIMYHGHXIKRBQ-NEPJUHHUSA-N 306.370 -0.719 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 1190674991 FSKSCGAZYOYROH-HNNXBMFYSA-N 320.437 -0.247 30 20 DBED CCS(=O)(=O)NCCN1CCCN(C(=O)[C@@H](C)C#N)CC1 1195322105 UAOXJDAXEZNFHC-LBPRGKRZSA-N 316.427 -0.380 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC2(C)C)C1 1195444061 MEBKLEPLPHJQGF-JHJVBQTASA-N 307.394 -0.667 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)c2csnn2)CC1 1196673458 FYRNFOKZCWOCGM-UHFFFAOYSA-N 307.379 -0.565 30 20 DBED COCC#CCN1CCCN(C(=O)CCn2cnnn2)CC1 1197536371 CCSNGYCJWNLAAI-UHFFFAOYSA-N 306.370 -0.753 30 20 DBED C=CCNC(=O)[C@@H](C)NC1CCN(C(=O)[C@@H](C)NC(C)=O)CC1 1199225854 UVKMNRTVUGGOFS-VXGBXAGGSA-N 324.425 -0.218 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)CCn2cncn2)CCCO1 1199853423 NJJVYGCYXVUTNJ-CQSZACIVSA-N 305.382 -0.101 30 20 DBED C[C@H](C#N)C(=O)N1CCCO[C@@H](CNCC(=O)NC2CC2)C1 1200114081 ALAOXPUDFSFYAK-YPMHNXCESA-N 308.382 -0.368 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)C2=CCOCC2)CC1 1200207509 ISFJVIFGHOVIAA-UHFFFAOYSA-N 305.378 -0.337 30 20 DBED CC#CCNC[C@H]1CN(C(=O)[C@@H]2COCCN2C)CCCO1 1200313508 YSJCIWFNERNBSM-GJZGRUSLSA-N 309.410 -0.453 30 20 DBED COCc1nn(C)cc1C(=O)N1CCCO[C@H](CNCC#N)C1 1200830925 GZCBPTWQAOCNNU-GFCCVEGCSA-N 321.381 -0.089 30 20 DBED C#CCN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)CN(C)S(C)(=O)=O)C2 1204399144 LBRTWXJLTMEGLF-JHJVBQTASA-N 313.423 -0.520 30 20 DBED C#CCCN1C[C@@H](NC(=O)CC[C@H]2NC(=O)NC2=O)[C@H](C)C1 1210884735 ZKRGFBBNSJFTSF-IJLUTSLNSA-N 306.366 -0.566 30 20 DBED C[C@@H]1CN(C(=O)C[C@H]2CCCOC2)C[C@H]1NCC(=O)NCC#N 1216764549 CECIVHDBKVPFDT-MGPQQGTHSA-N 322.409 -0.121 30 20 DBED CNC(=O)NC(=O)[C@@H](C)N1CCC(CNC(=O)[C@@H](C)C#N)CC1 1222664515 VTHXARZPDYMXPB-WDEREUQCSA-N 323.397 -0.182 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)CC(C)(C)O)CC1 1223052012 PMWZPGLDWFFXFS-UHFFFAOYSA-N 309.410 -0.275 30 20 DBED CC#CCN1CCC(NC(=O)CN(C)S(=O)(=O)CC)CC1 1229839317 IAXMJLMLQUANGC-UHFFFAOYSA-N 315.439 -0.128 30 20 DBED CSCCC(=O)NCC[C@@H]1CN(CC#N)CCS1(=O)=O 1230416511 LBBASONRJFMQRQ-LLVKDONJSA-N 319.452 -0.132 30 20 DBED COCCOC[C@@H](O)CN1CC[C@H]1CN(C)C(=O)C#CC1CC1 1234178694 NKRZOCSELMRXFW-HOTGVXAUSA-N 324.421 -0.044 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)c1c(C)ncn1C 1235566976 DYQVMKUWJFISHI-ZDUSSCGKSA-N 317.393 -0.376 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 1257597010 YLINGHIOGCTPET-LSDHHAIUSA-N 317.389 -0.549 30 20 DBED CCOCCONC(=O)NCCN/C(O)=C1\N=CC=CC1=O 1320544640 RRZWERFCXQHNIE-VAWYXSNFSA-N 312.326 -0.220 30 20 DBED CC(=O)OC[C@H](CO)NC(=O)C#Cc1ccc2c(c1)OCO2 1320905038 GDUVQDINNXIOGX-LBPRGKRZSA-N 305.286 -0.193 30 20 DBED CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)NCC#N)cc1 1321844140 CJJPRHRYCCJJET-UHFFFAOYSA-N 324.362 -0.759 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCC[C@@H](N2CCCC2=O)C1 1323698402 JZBYRCVRKAXDCT-CYBMUJFWSA-N 321.377 -0.634 30 20 DBED N#CCCC[C@@H](N)C(=O)N1CCCC[C@H]1CNC(=O)CCN 1326312786 GINGFXITACQWKC-QWHCGFSZSA-N 309.414 -0.146 30 20 DBED COc1cc(CNC(=O)C(=O)N2CCO[C@@H](C#N)C2)ccn1 1327410276 TWDIEOLJCNFCAL-NSHDSACASA-N 304.306 -0.543 30 20 DBED COCC#CC(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 1328094225 RELVFLBPRJNKLX-UHFFFAOYSA-N 307.354 -0.851 30 20 DBED C=C[C@H](CO)NC(=O)C(=O)Nc1cccc2c1CCNC2=O 1328317497 RIKZBFXRISXVOX-SECBINFHSA-N 303.318 -0.426 30 20 DBED C=CCOCCNC(=O)C(=O)N1CC[C@](CO)(COC)C1 1333450086 CQVQYORWNQJKEH-AWEZNQCLSA-N 300.355 -0.837 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 1342361729 HILYGENKJXRZNL-GFCCVEGCSA-N 301.346 -0.649 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CCOC[C@@H](C)C2)nn1 1351219797 BPDVASWKMZGZEX-NSHDSACASA-N 307.354 -0.425 30 20 DBED Cn1c(O)nc(N2CC[C@@H](NC(=O)C3(C#N)CCC3)C2)cc1=O 1363015133 YWUYEPYUSPOPLR-SNVBAGLBSA-N 317.349 -0.125 30 20 DBED N#Cc1cnn2c(O)cc(CN3CCN4C(=O)OC[C@H]4C3)nc12 1365274128 GOOSJSBHFCTEAB-LLVKDONJSA-N 314.305 -0.057 30 20 DBED COc1nccc(C(=O)N2CC[C@@H](NC(=O)[C@H](C)C#N)C2)n1 1372044882 WPWJVOQJTXUNGN-NXEZZACHSA-N 303.322 -0.024 30 20 DBED CC(=O)N[C@H](C)C(=O)NCCN(C)C(=O)c1cc(C#N)c[nH]1 1386791126 QRPFDVFUHIAGFA-SECBINFHSA-N 305.338 -0.401 30 20 DBED C[C@@H](C#N)C(=O)NC[C@](C)(NC(=O)CN1CCOCC1)C1CC1 1388260961 HPMSQYPOXPLTED-LRDDRELGSA-N 322.409 -0.121 30 20 DBED CC(C)[C@H](CNC(=O)c1c[nH]c(=O)cn1)NC(=O)[C@@H](C)C#N 1388945736 YSOXKQUDUNFFRI-UWVGGRQHSA-N 305.338 -0.200 30 20 DBED CCCN(CCNC(=O)[C@H](C)C#N)CC(=O)N1CCOCC1 1391124692 XJJYWOLFPNGIFO-CYBMUJFWSA-N 310.398 -0.167 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1cnc2n1CCCC2 1410151839 GYTRKQHFWIQKEA-WDEREUQCSA-N 319.365 -0.414 30 20 DBED Cn1cncc1CNC(=O)CCn1cc(C#N)c(O)nc1=O 1412471697 XAKQSSPFOCQAHC-UHFFFAOYSA-N 302.294 -0.739 30 20 DBED CC[C@H](C)NC(=O)CN1CCN(CCNC(=O)[C@@H](C)C#N)CC1 1419136448 XSWVBWQMQQITOM-KBPBESRZSA-N 323.441 -0.205 30 20 DBED C[C@H](C#N)C(=O)N1CCCO[C@@H](CNC(=O)CCCC(N)=O)C1 1426311742 NHCNAQGLZOTNMK-NEPJUHHUSA-N 324.381 -0.465 30 20 DBED C[C@H](CC(N)=O)C(=O)NCC1CN(C(=O)c2c[nH]c(C#N)c2)C1 1432468548 LRAQGBYITCJFMR-SECBINFHSA-N 317.349 -0.414 30 20 DBED COc1ncc(NC(=O)Cn2ccc(O)nc2=O)cc1C#N 1455605699 JRADSHGSQWDLKG-UHFFFAOYSA-N 301.262 -0.137 30 20 DBED Cc1nc[nH]c1CC(=O)NCCn1cc(C#N)c(O)nc1=O 1470361469 RBAUKZKHXZKRPH-UHFFFAOYSA-N 302.294 -0.789 30 20 DBED CNC(=O)NC(=O)CNC1(CNC(=O)[C@H](C)C#N)CCCC1 1482213388 MHZZJAZHSFZVOP-SNVBAGLBSA-N 309.370 -0.380 30 20 DBED Cc1nnc2n1C[C@@H](C(=O)N(C)CCNC(=O)[C@@H](C)C#N)CC2 1496500472 IUORISCEWNHMCR-JQWIXIFHSA-N 318.381 -0.117 30 20 DBED C=CCn1c(-c2ncnn2C)nnc1N1CC[C@@H](NC(C)=O)C1 1520621778 BUWVLZIVGHMNAJ-LLVKDONJSA-N 316.369 -0.026 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CCN(c2ccc(-c3nn[nH]n3)nn2)C1 1573585844 XPFDQUNOOGEZMW-RKDXNWHRSA-N 313.325 -0.489 30 20 DBED C[C@H](CNC(=O)[C@H](C)C#N)CNc1ccc(-c2nn[nH]n2)nn1 1574834575 BZDGWPPKOKANQV-DTWKUNHWSA-N 315.341 -0.019 30 20 DBED CS(=O)(=O)N1CC[C@H](CNC(=O)[C@H](N)CCCCC#N)C1 1579342174 IQMOOCRNXDMGES-VXGBXAGGSA-N 316.427 -0.205 30 20 DBED Cc1cc(NC(=O)[C@@H](C)N2CCNCC2=O)nn1CCC#N 1579623526 GZLFVMDORBXBDJ-LLVKDONJSA-N 304.354 -0.136 30 20 DBED N#C[C@@]12CN(C(=O)[C@@H]3CSCN3)C[C@H]1CS(=O)(=O)C2 1580056135 LYVNWXIDTPIHES-QXEWZRGKSA-N 301.393 -0.954 30 20 DBED N#Cc1cccnc1NCCNC(=O)NC1(CCO)CNC1 1580079931 IZSBVAPCSBLNKL-UHFFFAOYSA-N 304.354 -0.611 30 20 DBED C=CCNC(=O)CN1CCC(C)(NC(=O)[C@H]2C[C@H]2C(=O)O)CC1 1588839821 WJHCPMYWXOLRQA-NWDGAFQWSA-N 323.393 -0.020 30 20 DBED C=CCOC[C@H](NC(=O)[C@@H](NS(C)(=O)=O)C(C)C)C(=O)O 1588855882 QRMMSCBHECCPSI-UWVGGRQHSA-N 322.383 -0.668 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CCN(c2cncc(-c3nn[nH]n3)n2)C1 1592767911 REWMEDYLTIDYQV-LLVKDONJSA-N 324.348 -0.235 30 20 DBED N#Cc1ccc(N2CCN(C(=O)COCC(=O)O)CC2)nc1 1608205943 OIJZYFNLKBBRJM-UHFFFAOYSA-N 304.306 -0.297 30 20 DBED CN1CCN(S(=O)(=O)CC2(C#N)CC2)C[C@H](C(=O)O)C1 1610137676 HHYIPWWUGSLWRR-SNVBAGLBSA-N 301.368 -0.432 30 20 DBED Cc1nc(C(=O)NCCc2nnc3c(=O)[nH]ccn23)ccc1C#N 1645336215 AWLXUMGZDHGRIS-UHFFFAOYSA-N 323.316 -0.035 30 20 DBED N#C[C@H]1CN(C(=O)c2cc(N3CCNC(=O)C3)ccn2)CCO1 1649767332 TVLVGSKADMZJCO-LBPRGKRZSA-N 315.333 -0.618 30 20 DBED C#CCNC(=O)CN[C@H](C)CNC(=O)c1cnc2ccccn12 1752881918 KPJCGNUUDLTGME-GFCCVEGCSA-N 313.361 -0.208 30 20 DBED COCC#CCN(C)CCNC(=O)c1cn(CCOC)nn1 1753048918 KNWBRYIMFNFFLW-UHFFFAOYSA-N 309.370 -0.764 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)CCNC(=O)CCc1cnc[nH]1 1753053836 WFFYSHPYFCHVMP-GFCCVEGCSA-N 305.382 -0.472 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@H](C)CNC(=O)c1cccc(O)n1 1753608927 SYBYCGJKKSORPI-NWDGAFQWSA-N 318.377 -0.119 30 20 DBED C=C[C@](C)(O)CC(=O)N(C)[C@H](C)CNCc1nc(=O)n(C)[nH]1 1753686833 XPVZVRTYCPZFQM-YGRLFVJLSA-N 311.386 -0.628 30 20 DBED C=CCN1CC[C@H](NC[C@H](C)NC(=O)c2nccnc2N)C1=O 1754261534 PUUHNAAHNCPMEX-QWRGUYRKSA-N 318.381 -0.446 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@@H]1CNC(=O)Cc1cc[nH]n1 1754476738 BPDAUKXHUHSLGW-DGCLKSJQSA-N 303.366 -0.719 30 20 DBED N#CCNCCN(CCO)C(=O)[C@H]1CNC(=O)c2ccccc21 1754884030 RKDFHARSOSQGSP-AWEZNQCLSA-N 316.361 -0.552 30 20 DBED C#CCCNC[C@H]1CN(C(=O)[C@H](C)CS(C)(=O)=O)CCO1 1755016687 DQWOBQMMBZIMSD-OLZOCXBDSA-N 316.423 -0.493 30 20 DBED C=CCNC(=O)CN1CC([C@H](C)NC(=O)C[C@@H]2COC(=O)C2)C1 1755372704 GPWHHBOWOQWJGW-RYUDHWBXSA-N 323.393 -0.322 30 20 DBED COCC#CCN[C@H](CO)CNC(=O)c1cc(C(C)C)n(C)n1 1755627926 MZNFEKBVQLXSIF-ZDUSSCGKSA-N 322.409 -0.126 30 20 DBED C=CCC[C@H](C)N[C@H](CO)CNC(=O)c1nnc(O)nc1O 1755640418 DGLCWTJEJOKNBF-IUCAKERBSA-N 311.342 -0.682 30 20 DBED CC#CCN[C@H]1C[C@H](C)N(C(=O)c2cn(C)c(=O)n(C)c2=O)C1 1755687093 SMGKYAPUGFXXNM-RYUDHWBXSA-N 318.377 -0.700 30 20 DBED C#CCCNC[C@@H](O)CN(C)C(=O)[C@H]1CCCc2nn[nH]c21 1755787437 VVTAGQKZYLYNFY-NEPJUHHUSA-N 305.382 -0.343 30 20 DBED C#CCCCC(=O)NC[C@@H](CO)NC(=O)c1cnn2c1CCC2 1756515345 KAMIHUWQGGFSLZ-LBPRGKRZSA-N 318.377 -0.160 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C[C@H](O)CNC(=O)c1cnn(C)c1 1756662422 GCLMIIMTJASTDL-WCQYABFASA-N 322.365 -0.993 30 20 DBED CN(C(=O)C1CS(=O)(=O)C1)C1CC(NC(=O)C#CC2CC2)C1 1756740748 SCQYUNDJKPDTQK-UHFFFAOYSA-N 324.402 -0.450 30 20 DBED C#CCCCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cccnn2)C1 1757026763 FRWAEMBCJRVJGU-CHWSQXEVSA-N 302.334 -0.418 30 20 DBED C#CCNC(=O)CNS(=O)(=O)c1cc(C(=O)O)oc1C 1776134797 WMQQVIHEPKGBDK-UHFFFAOYSA-N 300.292 -0.686 30 20 DBED C[C@H](NS(=O)(=O)N(C)CCC#N)C(=O)NCc1ccco1 68348157 OSOJROCKFUMVIE-JTQLQIEISA-N 314.367 -0.036 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 112904311 OWOIEBXSXHKXLQ-MRXNPFEDSA-N 322.453 -0.144 30 20 DBED CC(C)c1nnc(CNc2c(C#N)c(=O)n(C)c(=O)n2C)n1C 179994926 NDJUXMLMPOMQTE-UHFFFAOYSA-N 317.353 -0.180 30 20 DBED C/N=C(/NC[C@H](O)C(F)(F)F)N[C@H]1CCc2nc(C)nn2C1 262753990 ALQIJLSDGRTNFL-IUCAKERBSA-N 320.319 -0.010 30 20 DBED COc1ccc(N/C(N)=N/CCNS(C)(=O)=O)cc1OC 264072067 GIUIGQDKTCSIFD-UHFFFAOYSA-N 316.383 -0.020 30 20 DBED CCN(CC#N)C(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 266236678 DGLXHHRJPLRFLO-AAXDQBDMSA-N 305.334 -0.089 30 20 DBED COCCNC(=O)CNC(=O)C(=O)Nc1cccc(C)c1C#N 266557726 MENSWVHCGPEMLH-UHFFFAOYSA-N 318.333 -0.316 30 20 DBED C[C@@H](CO)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 269318290 BWOYBVQVVMSDDW-UWVGGRQHSA-N 311.363 -0.278 30 20 DBED Cc1ccc(C#N)cc1S(=O)(=O)NCCN1CCNC(=O)C1 272684724 NXRBLBMGHVHSFK-UHFFFAOYSA-N 322.390 -0.423 30 20 DBED C=C[C@](C)(O)CC(=O)Nc1cnn(CC(=O)NCCOC)c1 279492553 RUVPNTFFHPDJLT-AWEZNQCLSA-N 310.354 -0.089 30 20 DBED CN1CCOC[C@@H]1/C(O)=N/CC1CCN(S(C)(=O)=O)CC1 328980104 XRNQYCHHBMPWSP-GFCCVEGCSA-N 319.427 -0.055 30 20 DBED C=C1CCN(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 329394363 SXJSPAYAYYXNLW-UHFFFAOYSA-N 317.349 -0.388 30 20 DBED CC(C)n1cc(C#N)c(NC(=O)C(=O)N[C@H](C)C[C@H](C)O)n1 340851830 IYHGQJITHLQLEV-ZJUUUORDSA-N 307.354 0.550 30 20 DBED COc1cc(C#N)ccc1S(=O)(=O)N(C)[C@@H]1COC[C@H]1O 352310458 KJFUVKLLWPVYFL-GHMZBOCLSA-N 312.347 -0.053 30 20 DBED N#CCNC(=O)CNC(=O)N1CCC[C@@H](CN2CCOCC2)C1 358276967 OTHISZDHTPRIJW-ZDUSSCGKSA-N 323.397 -0.620 30 20 DBED C=CCOC[C@H](NS(=O)(=O)N1CC[C@@H](C)C1)C(=O)OC 360605201 QOZXOVMMWVLPQX-MNOVXSKESA-N 306.384 -0.093 30 20 DBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCCOCC1 363100215 ZDQXUGNLCZPDOT-UHFFFAOYSA-N 323.374 -0.026 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N1C[C@H](O)C[C@H]1C(=O)OC 376984292 CAGCZLKAQSGYJJ-AXFHLTTASA-N 319.383 -0.679 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@H]2CC[C@H]2C(=O)O)CC1 397028337 KOZIHSUZOWNDKF-NWDGAFQWSA-N 309.366 -0.456 30 20 DBED C#CCNC(=O)C1CCN(C(=O)N[C@H](C)C(=O)N(C)C)CC1 491099413 BBBHFBHPXCTMFY-LLVKDONJSA-N 308.382 -0.366 30 20 DBED C#CCNC(=O)CN1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 491316885 YIMWYQBYLNCOJW-UHFFFAOYSA-N 320.353 -0.842 30 20 DBED C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C 491726997 KPHQVSMVLJQLIW-NSHDSACASA-N 309.395 -0.112 30 20 DBED Cc1nn(C)c(N2CCN(C(=O)c3cnn[nH]3)CC2)c1C#N 530521880 OHZDSACXSCUYLD-UHFFFAOYSA-N 300.326 -0.319 30 20 DBED N#C[C@H]1CN(S(=O)(=O)NC[C@@H](C(=O)O)C2CCC2)CCO1 596025786 ZNWGUFZJVBWQRU-WDEREUQCSA-N 317.367 -0.454 30 20 DBED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)[C@@H]2CC(=O)N2)CC1 596782951 JZPLSZNEBAOSMJ-JTQLQIEISA-N 315.333 -0.039 30 20 DBED C=CCOCC(=O)N1CCOC[C@@H]1C(=O)NCC(=O)OCC 597647362 XYZMTYHFGQOTLV-LLVKDONJSA-N 314.338 -0.904 30 20 DBED C[C@@H](N)[C@H]1CCCCN1C(=O)C(=O)N1CCN(CCC#N)CC1 601583343 PABOTDMUKLHHFR-ZIAGYGMSSA-N 321.425 -0.227 30 20 DBED CC(C)(C)NS(=O)(=O)CC(=O)NC1CCN(CC#N)CC1 609332589 MIGOQDDZIVLSNZ-UHFFFAOYSA-N 316.427 -0.192 30 20 DBED CN1CCN(CC(=O)N(CCC#N)CCN2CCOCC2)CC1 610257707 CVWRSAOEAVATRY-UHFFFAOYSA-N 323.441 -0.692 30 20 DBED COCCN1CN(C(=O)NC2CCN(CC#N)CC2)CC1=O 619757228 COYRBUVVSPRGIG-UHFFFAOYSA-N 309.370 -0.568 30 20 DBED C#CCCOC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 727041762 ZOXFDXVGJULNEE-JTQLQIEISA-N 312.347 -0.282 30 20 DBED C#CCN1CCN(C(=O)Cc2ccc(S(N)(=O)=O)cc2)CC1 733160866 FCMCYDLRLALTPT-UHFFFAOYSA-N 321.402 -0.346 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)[C@@](C)(O)Cn1ccc(C)cc1=O 790694372 XCOXDZKEMFYRSN-LRDDRELGSA-N 320.345 -0.411 30 20 DBED C#CCCS(=O)(=O)NC(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 791111647 VZICDIWVENJKQK-SKDRFNHKSA-N 316.404 -0.090 30 20 DBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC(=O)N(C)C[C@H]1C 814180288 FQFWNPDFXLMPTH-DYEKYZERSA-N 323.393 -0.227 30 20 DBED C=C[C@H](O)C(=O)O[C@@H](C)C(=O)N1CCN(C(=O)OCC)CC1 814550791 WGZBZVXMIFMIKM-QWRGUYRKSA-N 314.338 -0.234 30 20 DBED C[C@H](NC(=O)COC(=O)[C@](C)(C#N)CC(=O)O)C(=O)N(C)C 820122572 TZUNGQILVAEZLQ-SDBXPKJASA-N 313.310 -0.873 30 20 DBED C#C[C@@H](C)NC(=O)N1CCN(S(=O)(=O)NC(C)C)CC1 820400824 RRDKSRXKUOKZNQ-LLVKDONJSA-N 302.400 -0.422 30 20 DBED Cn1cc(-c2nn[nH]n2)cc1C(=O)NC1CCN(CC#N)CC1 822637010 MNVNNCUATUIQNU-UHFFFAOYSA-N 314.353 -0.077 30 20 DBED C#CCC[C@H](O)CNC(=O)Nc1ncn(CC(=O)OCC)n1 824448353 FFMQXJWHRFAOAO-JTQLQIEISA-N 309.326 -0.263 30 20 DBED C[C@H](CS(=O)(=O)NCC1CCN(CC#N)CC1)C(=O)O 827558453 MUWYHRNIGIBTAV-SNVBAGLBSA-N 303.384 -0.138 30 20 DBED Cc1nn(C)cc1C1=NO[C@H](C(=O)NCC#CCN(C)C)C1 827972235 WRNLWYRDWGOEHO-AWEZNQCLSA-N 303.366 -0.097 30 20 DBED N#Cc1ccc([C@@H](O)CN2CCNC(=O)[C@H]2CC(=O)O)cc1 833072915 SNHYXPBBOBLPRA-OLZOCXBDSA-N 303.318 -0.133 30 20 DBED C=C[C@@H]1OCC[C@H]1NC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 834166656 KBYYPTGDEHMYJN-NEPJUHHUSA-N 323.374 -0.056 30 20 DBED CC1(C)OCC(CO)(NC(=O)CNc2ccc(C#N)cn2)CO1 834488907 MNXRCTOCRLFIBZ-UHFFFAOYSA-N 320.349 -0.005 30 20 DBED COC(=O)Cn1cc(C=NNc2ccnc(N(C)C)n2)nn1 834958731 CNMSFQGFUPONLM-UHFFFAOYSA-N 304.314 -0.247 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N(C)Cc1nccn1C 850710628 IKFAGLQEWFDCPD-UHFFFAOYSA-N 306.366 -0.123 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)COCC(F)F)CC1 859225619 RGNQUYGBMPMXMN-UHFFFAOYSA-N 317.336 -0.448 30 20 DBED C=CCC1(O)CCN(C(=S)NCCNS(C)(=O)=O)CC1 905591578 OPICBTCTTZLUFK-UHFFFAOYSA-N 321.468 -0.187 30 20 DBED C#CCn1ccc(CN(CC)C(=O)C2CN(S(C)(=O)=O)C2)n1 907839511 NJKAFMQABNCZKR-UHFFFAOYSA-N 324.406 -0.244 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)CN1CCCNC1=O 915433804 MIGSBQOWIOOIEI-VIFPVBQESA-N 312.326 -0.655 30 20 DBED C#CCN1CCC[C@H](NC(=O)c2cc(S(N)(=O)=O)cn2C)C1 923589253 PPNASSQFPPDLAC-NSHDSACASA-N 324.406 -0.500 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2nc[nH]n2)C1 941237769 JCJJUVPKAGEWQF-NEPJUHHUSA-N 316.365 -0.767 30 20 DBED C[C@@H](C#N)C(=O)N1CCCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 942153449 ZWXWYMSKCSIBAN-SDDRHHMPSA-N 322.365 -0.760 30 20 DBED O=C(Cn1cnnc1O)N[C@H]1[C@H]2C[C@H]1N(C(=O)C#CC1CC1)C2 946958394 GVGSRPUNRWKLFR-WDMOLILDSA-N 315.333 -0.887 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]1CNC(=O)c1ccn(C)c(=O)c1 950953039 UPJWELPKALGSBW-ZYHUDNBSSA-N 302.334 -0.124 30 20 DBED C[C@H](C#N)C(=O)N1CCC([C@H]2CCN(C(=O)C(N)=O)C2)CC1 952307715 NSHPZHRYDJAGDR-PWSUYJOCSA-N 306.366 -0.282 30 20 DBED C[C@H](C#N)C(=O)N1CCC(N(C)C(=O)[C@@H]2CN(C)CCO2)CC1 953831208 MALJKQGALFKJPE-OCCSQVGLSA-N 322.409 -0.074 30 20 DBED C=CCn1cc(C(=O)N2CC(N(C)C(=O)c3cnon3)C2)nn1 955091740 PZOMXSBWBSMOTL-UHFFFAOYSA-N 317.309 -0.556 30 20 DBED C=CCN1CCN(C(=O)Cn2nc3n(c2=O)CCCC3)CC1 957098857 FNXNYHFHLNPENO-UHFFFAOYSA-N 305.382 -0.289 30 20 DBED C=CCN1C[C@@H](O)[C@@H](CNC(=O)c2ccn(CCOC)n2)C1 958255234 WYQGCVCVFMTWAK-GXTWGEPZSA-N 308.382 -0.262 30 20 DBED C=CCN1C[C@@H](O)[C@H](CNC(=O)c2ccoc2CC(N)=O)C1 958350971 WMUDKHWDJIAFMT-ZYHUDNBSSA-N 307.350 -0.484 30 20 DBED C#CCN1C[C@H](CNC(=O)c2ncc3n2CCCC3)[C@@H](O)C1 958716645 NOCGMUXJRROUIX-JSGCOSHPSA-N 302.378 -0.125 30 20 DBED Cc1ncoc1C(=O)N(C)[C@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1O 958789518 QCBGEARKIAKZFA-LSJOCFKGSA-N 306.322 -0.214 30 20 DBED C=C(C)CCN1C[C@H]2C(NC(=O)[C@@H]3CC(=O)NC(=O)N3)[C@@H]2C1 961915287 NAOXTTRSUJOZTF-MXWKQRLJSA-N 306.366 -0.403 30 20 DBED Cn1ccc(C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2O)n1 963514098 XVQCIFZROACVSG-OLZOCXBDSA-N 302.334 -0.865 30 20 DBED COc1cc(C(=O)NC[C@@H]2COCCN2C(=O)[C@H](C)C#N)on1 964161719 CXSPOVMOEFFLKK-NXEZZACHSA-N 322.321 -0.200 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C2CN(C(=O)CC(C)(C)O)C2)CC1 967245489 STKBYOOWFNPJHZ-LBPRGKRZSA-N 322.409 -0.338 30 20 DBED CCN(C(=O)c1cc(C#N)c[nH]1)C1CN(C(=O)c2cnn[nH]2)C1 967868102 OXAAPRAOXWPTPO-UHFFFAOYSA-N 313.321 -0.009 30 20 DBED O=C([C@H]1COCCO1)N1CC[C@@H]2CN(C(=O)C#CC3CC3)[C@@H]2C1 972075175 GLOPVTGABKSIDU-RBSFLKMASA-N 318.373 -0.126 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)c3nc[nH]n3)C2)nc1 973484980 AWRFOVCXDIIXNB-XYPYZODXSA-N 310.317 -0.128 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)C[C@H]21 974726479 ZICOGZQFXGNGNC-GRYCIOLGSA-N 320.393 -0.061 30 20 DBED C#CCN1C[C@H]2[C@H](CNC(=O)[C@H]3CCCN(C(N)=O)C3)[C@H]2C1 978443430 XKPSCBDXGKXMHI-XDQVBPFNSA-N 304.394 -0.296 30 20 DBED C#CCN1C[C@H]2[C@H](CNC(=O)C3CCN(C(N)=O)CC3)[C@H]2C1 979050297 TWYSQIFXMSJUNJ-ZSOGYDGISA-N 304.394 -0.296 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCN(C(=O)C(N)=O)CC2)C[C@@H]1C 982263848 KLIUDNHFPLKZAW-QWRGUYRKSA-N 306.366 -0.139 30 20 DBED C[C@@H]1CCN(C(=O)[C@H](C)C#N)[C@H](CNC(=O)c2nnn(C)n2)C1 984039729 HZTHNUKQGIVCHI-MXWKQRLJSA-N 319.369 -0.273 30 20 DBED C[C@@H]1[C@@H](NCC#N)CCN1C(=O)CN1CCCS1(=O)=O 986328705 CMTYRKMWDXGTIC-MNOVXSKESA-N 300.384 -0.876 30 20 DBED C[C@@H](NC(=O)c1c[nH]c(C#N)c1)C1CCN(C(=O)C(N)=O)CC1 986976679 BOVOHVYLVMOHCK-SECBINFHSA-N 317.349 -0.271 30 20 DBED C=CCn1cc(C(=O)N2CC(NC(=O)c3cncnc3)C2)nn1 990965386 MTNKIZNYDBQTKL-UHFFFAOYSA-N 313.321 -0.492 30 20 DBED CCC(=O)N[C@@H]1CC(=O)N(C2CN(C(=O)C#CC3CC3)C2)C1 995460383 ITMPIWVLDLOIIN-GFCCVEGCSA-N 303.362 -0.262 30 20 DBED C#Cc1ccccc1CC(=O)NC1CN(C(=O)c2cnn[nH]2)C1 997247001 VLTBKWMCOKVRTN-UHFFFAOYSA-N 309.329 -0.031 30 20 DBED C=CCN1CC[C@H](n2cc(CNC(=O)[C@H]3CCNC3=O)nn2)C1 999999078 BZGMOXNUKMTYGY-STQMWFEESA-N 318.381 -0.537 30 20 DBED C#Cc1cncc(C(=O)N2CC[C@@H](C)[C@@H](NC(=O)C(N)=O)C2)c1 1005224029 NWYHPOPPZGYROH-MFKMUULPSA-N 314.345 -0.485 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)C1CN(C(=O)C(N)=O)C1 1006164037 DHDKIFZNFPNMMH-USWWRNFRSA-N 309.366 -0.584 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C(=O)[C@@H]2CCN(C)C(=O)C2)CC1 1011421349 VTXHJFQEXNFTSY-VXGBXAGGSA-N 306.366 -0.315 30 20 DBED C#Cc1ccccc1CC(=O)N[C@@H]1CCN(C(=O)C(N)=O)[C@@H]1C 1012018270 ZMAOAWRVCKKICO-BXUZGUMPSA-N 313.357 -0.199 30 20 DBED C[C@@H]1C[C@H](NC(=O)CN2CCOCC2)CN1C(=O)C#CC1CC1 1012580702 GNNJJZULIMMVRZ-HIFRSBDPSA-N 319.405 -0.162 30 20 DBED C=CCn1cc(C(=O)NC2[C@@H]3CN(C(=O)[C@H](C)C#N)C[C@@H]23)nn1 1013113259 IKZUOXFVROFRPA-GMTAPVOTSA-N 314.349 -0.190 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)c2c[nH]nc2S(N)(=O)=O)C1 1015682319 RVAGVASFNUYDPO-SECBINFHSA-N 313.383 -0.563 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@]2(CN(C(=O)C(N)=O)C[C@@H](C)O2)C1 1017850026 WAAZBXIGBAKLGN-BDJLRTHQSA-N 323.393 -0.098 30 20 DBED CC(=O)N1CCOC[C@@H]1C(=O)NC1C[C@@H]2CC[C@H](C1)N2CC#N 1021464836 MVUAFXACDLOINX-JALIKCBVSA-N 320.393 -0.131 30 20 DBED N#CCN1CC[C@H](CNC(=O)c2cnc3c(c2)NC(=O)CO3)C1 1028664625 PEVNJGCEMWXHPU-SNVBAGLBSA-N 315.333 -0.012 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2Cc1nnn(C)n1 1032637964 BEDBWAAQAFHIIX-RVMXOQNASA-N 318.381 -0.414 30 20 DBED Cn1nnc(CNC[C@H]2CCCN2C(=O)c2cc(C#N)c[nH]2)n1 1034894750 JAPLGIRFOUTYCY-LLVKDONJSA-N 314.353 -0.196 30 20 DBED C#CCN1CCO[C@H](CNC(=O)c2ccc(N(C)C)nn2)C1 1035581840 PIGZQQBJKNUJFM-GFCCVEGCSA-N 303.366 -0.394 30 20 DBED C#CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)CN1CCCCS1(=O)=O 1037509112 NOLAXCWRWMYYPM-MBNYWOFBSA-N 311.407 -0.766 30 20 DBED C#CCN[C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)C[C@H]1CC 1037941806 RKGIGAICZNPNJM-VXGBXAGGSA-N 306.366 -0.612 30 20 DBED CN(C)CCC(=O)N1CC[C@@](O)(CNC(=O)C#CC2CC2)C1 1039680272 BVNKMBHXWSYANH-MRXNPFEDSA-N 307.394 -0.569 30 20 DBED COCC1(C(=O)N2CC[C@](O)(CNC(=O)C#CC3CC3)C2)CC1 1039688446 IHAVIEMUMZFXPU-KRWDZBQOSA-N 320.389 -0.094 30 20 DBED C#CCCCC(=O)N1CC[C@](O)(CNC(=O)Cn2ccnc2)C1 1040214235 KBQQJUZMKZEVRP-INIZCTEOSA-N 318.377 -0.234 30 20 DBED N#Cc1nccc(N2C[C@@H]3CCN(C(=O)Cc4nc[nH]n4)[C@@H]3C2)n1 1040711054 GKBRFEJTHZTRTP-WDEREUQCSA-N 324.348 -0.254 30 20 DBED Cc1nonc1CC(=O)N1CC[C@](O)(CNC(=O)[C@H](C)C#N)C1 1040759144 FGLDXCDCNRVPPP-OTYXRUKQSA-N 321.337 -0.840 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)c3n[nH]cc3F)C2)cn1 1041328057 TYJFNLBZUOGQII-VXGBXAGGSA-N 316.296 -0.205 30 20 DBED C=CCC1(C(=O)N2CC(O)(CNC(=O)CNC(N)=O)C2)CCC1 1041385363 XSNAZBPMAVNVIW-UHFFFAOYSA-N 324.381 -0.909 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)c2cccc(O)n2)C1 1042351380 LBGGDAOQZIPHOH-UHFFFAOYSA-N 317.345 -0.106 30 20 DBED CO[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1NC(=O)[C@@H]1CCOC1 1042779211 IZOLMYLREZANJD-RAIGVLPGSA-N 317.349 -0.295 30 20 DBED CC(C)(C)C#CC(=O)NCC1(O)CN(C(=O)c2cnsn2)C1 1042965582 CZPWUQWEFCTRFC-UHFFFAOYSA-N 322.390 -0.109 30 20 DBED C#CCC1(C(=O)NCC2(O)CN(C(=O)CCN(C)C)C2)CCC1 1043349065 FGUREIFELFZGJO-UHFFFAOYSA-N 321.421 -0.179 30 20 DBED CO[C@H]1CCC[C@@H]1C(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1043628294 VXBYYZACGDOVGD-KBPBESRZSA-N 320.389 -0.096 30 20 DBED CC#CCCCC(=O)N1CC(O)(CNC(=O)CCCC(N)=O)C1 1043709784 UFFQNYWQOCOBEX-UHFFFAOYSA-N 323.393 -0.475 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)c2cc(F)c[nH]2)C1 1043929460 KKXAQXZFIBMZBH-UHFFFAOYSA-N 311.313 -0.341 30 20 DBED C[C@H]1C[C@H](NCC#N)CCN1C(=O)c1cn(C)c(=O)n(C)c1=O 1044765777 XRPZMMVGZCTNIC-WDEREUQCSA-N 319.365 -0.810 30 20 DBED C=CCC(C)(C)C(=O)N1CC(O)(CNC(=O)c2nc[nH]n2)C1 1044777391 VPCHPRAMFGCLHJ-UHFFFAOYSA-N 307.354 -0.290 30 20 DBED C=CCN1CCC2(CC1)CO[C@H](CNC(=O)[C@@H]1CNC(=O)N1)C2 1045677941 GCBODOQBODDFHM-STQMWFEESA-N 322.409 -0.159 30 20 DBED CC(=O)N1CCOC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)N2CC#N 1045894492 XJCRJRDWHICEGB-QLFBSQMISA-N 320.393 -0.177 30 20 DBED C#CCN1CC[C@@H](N2CCN(C(=O)[C@@H]3CCCNC3=O)CC2)C1 1046037702 WOUMGJAQQYESEO-HUUCEWRRSA-N 318.421 -0.636 30 20 DBED CC#CCCCC(=O)N1CC(O)(CNC(=O)Cc2nc[nH]n2)C1 1046909331 JHKJPEMQUQQQJC-UHFFFAOYSA-N 319.365 -0.770 30 20 DBED C=C(C)CN1C[C@H](O)[C@@H](N(C)C(=O)C(=O)N2CC[C@@H](C)C2)C1 1047592718 FBGCLQFIOWUIBC-RDBSUJKOSA-N 309.410 -0.066 30 20 DBED C#CCO[C@H](C)C(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CCCO2)C[C@@H]1O 1048852043 CSYUYWPJNGOMKA-RFGFWPKPSA-N 324.377 -0.766 30 20 DBED Cc1ncc(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)C#N)C2)n1C 1049407503 HERNVOBNORRNML-XDTLVQLUSA-N 319.365 -0.468 30 20 DBED N#CCN1CCOC[C@H]1CNC(=O)[C@@H]1CCc2cncn2C1 1050991105 UTLNAZNAKFOKLQ-TZMCWYRMSA-N 303.366 -0.214 30 20 DBED CC#CCN1CCOC[C@@H]1CNC(=O)[C@@H]1CCS(=O)(=O)C1 1051011651 MFYQGFCYPKZTCS-OLZOCXBDSA-N 314.407 -0.739 30 20 DBED CC#CCN1CCOC[C@H]1CNC(=O)[C@H]1CCNC(=O)CC1 1051046532 PSZQYIBJSOGLGL-ZIAGYGMSSA-N 307.394 -0.257 30 20 DBED N#CCN1CCOC[C@@H]1CNC(=O)c1ccc(C(N)=O)cc1 1051238239 IMXPJDVBBHGBFE-ZDUSSCGKSA-N 302.334 -0.260 30 20 DBED C=C(C)CCN1CC2(C1)CN(C(=O)Cn1ncnn1)CCO2 1053258183 XRIGIYNXHZCXOA-UHFFFAOYSA-N 306.370 -0.448 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)[C@H]1CC(=O)N(C)C1)CCO2 1053279052 FFQSPFKUNMFUMB-ZDUSSCGKSA-N 305.378 -0.599 30 20 DBED CC[C@@H]1C[C@H](C(=O)N2CCOC3(CN(CC#N)C3)C2)CC(=O)N1 1053355872 HAQJFXVJENJUSU-QWHCGFSZSA-N 320.393 -0.272 30 20 DBED CC#CCN1CC2(CC[C@@H](CNC(=O)C3CN(C(C)=O)C3)O2)C1 1053595088 YQKSZAVKKNTEBN-HNNXBMFYSA-N 319.405 -0.162 30 20 DBED N#CCN1CC2(CC[C@@H](CNC(=O)[C@H]3CCC(=O)NC3)O2)C1 1053620480 MYGCWDPGNCLIKP-RYUDHWBXSA-N 306.366 -0.614 30 20 DBED C=C(Cl)CN1CC2(C[C@@H](NC(=O)[C@H]3COC(=O)N3)CO2)C1 1053790768 BNWNMRHUMXURAI-NXEZZACHSA-N 315.757 -0.193 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)c3ccc(C(N)=O)[nH]3)CO2)C1 1053927344 ZEMYFCVWUJDWIX-SECBINFHSA-N 303.322 -0.790 30 20 DBED C=C(C)CN1CC2(C[C@H](NC(=O)c3ccc(=O)n(C)n3)CO2)C1 1054000726 ICZJPMCWTCXCSO-LBPRGKRZSA-N 318.377 -0.071 30 20 DBED C=CCN1CC2(C[C@@H](NC(=O)[C@@H]3COCCN3C(C)=O)CO2)C1 1054013199 QDWLBSRHKZYMQM-KGLIPLIRSA-N 323.393 -0.621 30 20 DBED C=CCCC(=O)N1CCC[C@](CO)(NC(=O)Cc2nc[nH]n2)C1 1056137781 IHVDPDJBIOTHDC-HNNXBMFYSA-N 321.381 -0.217 30 20 DBED Cc1cc(C#N)nc(N[C@@H]2CCN(C(=O)c3nnn(C)n3)C2)n1 1056747258 NXAMCJWODIXRAJ-SECBINFHSA-N 313.325 -0.493 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)Cn1cc(C)cn1 1057439373 JWFWHZISTYMQPJ-UHFFFAOYSA-N 320.393 -0.068 30 20 DBED C#CCO[C@H](C)C(=O)N(CCO)CCNC(=O)C(C)(C)F 1057583673 WTKHQRLWSUGNND-LLVKDONJSA-N 302.346 -0.290 30 20 DBED N#Cc1nc(=N[C@@H]2CCCN(C(=O)[C@@H]3COC(=O)N3)C2)cc[nH]1 1057630926 GWQYXEZKVIDGOH-ZJUUUORDSA-N 316.321 -0.719 30 20 DBED N#Cc1nccnc1N1CCC[C@H](NC(=O)[C@@H]2CCNC2=O)C1 1058220912 PFYZRRLRYVYCOP-WDEREUQCSA-N 314.349 -0.431 30 20 DBED C=CCCCC(=O)N(CCO)CCNC(=O)[C@@H](C)NC(C)=O 1058621748 PRJNJLWZEBUOJG-GFCCVEGCSA-N 313.398 -0.196 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)C12CCN(CC1)C2 1058655452 YZYFWIRZWCBFGW-GFCCVEGCSA-N 308.382 -0.821 30 20 DBED CN1CCO[C@@H](C(=O)N2CC[C@H](Nc3cncc(C#N)n3)C2)C1 1058857626 USJRUHKOIBOOPV-WCQYABFASA-N 316.365 -0.308 30 20 DBED C[C@@H]1CCO[C@@H]1C(=O)N(CCO)CCNC(=O)C#CC1CC1 1058866211 DTQVADNYGHCBNJ-DOMZBBRYSA-N 308.378 -0.238 30 20 DBED Cn1ncc(C(=O)N2CC[C@H](Nc3cnc(C#N)cn3)C2)c1N 1058877946 MXRHCYQRGWQRKI-VIFPVBQESA-N 312.337 -0.009 30 20 DBED C[C@@]1(C(=O)N[C@H]2C[C@H](Nc3cnc(C#N)cn3)C2)CNC(=O)C1 1059355428 PHVARDWYZAAEQN-YHAQOWFVSA-N 314.349 -0.066 30 20 DBED N#Cc1nccnc1N[C@H]1C[C@H](NC(=O)[C@@H]2CCC(=O)NC2)C1 1059457777 RGJJLXLGYHCEED-GMTAPVOTSA-N 314.349 -0.066 30 20 DBED N#Cc1ccc(N2CC[C@H]3[C@@H](CCCN3C(=O)C(N)=O)C2)nn1 1059540285 NJFGVMYPAJAQNS-JQWIXIFHSA-N 314.349 -0.349 30 20 DBED C=CCOCC(=O)N1CCOC[C@@H]1CNC(=O)[C@H]1CCOC1 1061387061 XXNRZSQVNQBDPU-STQMWFEESA-N 312.366 -0.431 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1COCCN1C(=O)Cc1ncc[nH]1 1061571597 DFCMYDKOHOPIGL-CYBMUJFWSA-N 316.361 -0.291 30 20 DBED C=CCOCC(=O)NC[C@H]1CCCCN1C(=O)CC(=O)NC 1062152332 RQKYQEGSSUUVPZ-GFCCVEGCSA-N 311.382 -0.178 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CCCCN1C(=O)Cn1ncnn1 1062230869 IZKRMIIYEFWJQK-CYBMUJFWSA-N 318.381 -0.170 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)c2cc(=O)n(C)cn2)CCC1 1063483406 LOPFTXSDHDKVIB-JTQLQIEISA-N 317.349 -0.291 30 20 DBED N#Cc1cncc(N2CCO[C@H](CNC(=O)[C@@H]3CCOC3)C2)n1 1063619664 YEEWZBWRUMSCLH-DGCLKSJQSA-N 317.349 -0.294 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CN(C(=O)c2ncccc2O)CCO1 1065074323 VBSQTNSRZFKQDV-MNOVXSKESA-N 318.333 -0.096 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CN(C(=O)C23CCN(CC2)C3)CCO1 1065374055 JYJGMPVTTXRWRY-QWHCGFSZSA-N 320.393 -0.415 30 20 DBED CN(C(=O)[C@H]1CCOC1)[C@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1065572968 BTBDYSUHYRWKCC-SRVKXCTJSA-N 317.349 -0.607 30 20 DBED C=CCCC(=O)N1CCN([C@@H]2CCN(C(=O)C(N)=O)C2)CC1 1065711493 NCUFKLUKMFTFIH-GFCCVEGCSA-N 308.382 -0.817 30 20 DBED Cn1cc(C(=O)N2C[C@@H]3CN(c4cnc(C#N)cn4)C[C@@H]3C2)nn1 1065999035 GKJIWHAVFNUSKC-PHIMTYICSA-N 324.348 -0.315 30 20 DBED C=CCOCCCC(=O)N[C@H]1CCCN(C(=O)C(N)=O)CC1 1066026120 QRZBWOCGMHYDCO-LBPRGKRZSA-N 311.382 -0.048 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CCCN(C(=O)c2cnn[nH]2)CC1 1066170846 YRBJMJZEGIUCPZ-NWDGAFQWSA-N 319.365 -0.046 30 20 DBED N#Cc1cccnc1N1C[C@H](O)[C@H](CNC(=O)c2cnon2)C1 1067677375 CNIFKMYNTPJRNQ-PWSUYJOCSA-N 314.305 -0.437 30 20 DBED N#Cc1cnc(NCC2CC(NC(=O)Cn3cnnn3)C2)cn1 1067829469 YDFUADMAOFGILK-UHFFFAOYSA-N 313.325 -0.658 30 20 DBED C=CCOCC(=O)N1CC2(C[C@H](NC(=O)COCC)CO2)C1 1068674332 LRZCGXZFOSPZMT-LBPRGKRZSA-N 312.366 -0.288 30 20 DBED Cc1cc(C#N)nc(N2CCC[C@@H](NC(=O)C(N)=O)[C@H]2C)n1 1069404228 IFVLSWYAEQIJPT-MWLCHTKSSA-N 302.338 -0.385 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H]2OCCO[C@H]2C)C1 1069949162 GUEPTRBHAVAQFV-CRWXNKLISA-N 321.381 -0.391 30 20 DBED C=CCOCC(=O)N1CCC[C@@H](NC(=O)c2c[nH]c(=O)cn2)C1 1070552363 OYDIGZQFZZECQJ-LLVKDONJSA-N 320.349 -0.307 30 20 DBED CC#CCN1C[C@@H](NC(=O)CN2CCN(C)C(=O)C2)CC[C@H]1C 1071619735 UAYSRNHAYUUJPX-CABCVRRESA-N 320.437 -0.247 30 20 DBED CC#CCN1CCCO[C@H](CNC(=O)c2c[nH]c(=O)cn2)C1 1073748309 CYQKGCZUHBUBNC-GFCCVEGCSA-N 304.350 -0.386 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)Cc3n[nH]c(C)n3)C[C@@H]21 1074238546 PWUCCWKRVDQRFU-STQMWFEESA-N 303.366 -0.409 30 20 DBED C#CCCN1CCO[C@H]2CCN(C(=O)c3cnn(C)n3)C[C@@H]21 1074361053 VVPDUJYCFUTUPU-KBPBESRZSA-N 303.366 -0.246 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(O)(CNC(=O)Cc2ccon2)CC1 1074705778 ZBBXMODLEHEWNI-NSHDSACASA-N 320.349 -0.154 30 20 DBED C[C@@H](CCNC(=O)C#CC1CC1)NC(=O)C(=O)NCC1CC1 1076427810 QGVJLKFLYBJIBK-NSHDSACASA-N 305.378 -0.063 30 20 DBED C#CCO[C@H](C)C(=O)NCC[C@H](C)NC(=O)c1nccnc1N 1076510097 COEYRHLFSKLLPN-WDEREUQCSA-N 319.365 -0.278 30 20 DBED C=CCN1CC[C@@H](N2C[C@@H](O)[C@H](NC(=O)c3ccc[nH]3)C2)C1=O 1076737491 MOAJIBABDPEASM-MGPQQGTHSA-N 318.377 -0.424 30 20 DBED C=CCCOCC(=O)N[C@@H](C)CCNC(=O)[C@@H]1CCC(=O)N1 1077641401 NQXPVYMIAGGWKK-RYUDHWBXSA-N 311.382 -0.131 30 20 DBED CNC(=O)NC(C)(C)C(=O)N[C@@H](C)CCNC(=O)[C@H](C)C#N 1078135351 XRCHLXCJDHYMTO-ZJUUUORDSA-N 311.386 -0.135 30 20 DBED C=CCOCC(=O)N1C[C@H](CNC(=O)c2ccncc2)[C@@H](O)C1 1081160751 HZDYDMUMTQSHQN-KBPBESRZSA-N 319.361 -0.167 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)c2ncn(C)n2)C[C@@H]1O 1081336081 SYOPRXVCUKUUJC-QWRGUYRKSA-N 307.354 -0.670 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@H](CNC(=O)Cc2cncnc2)C1 1081447846 RXPUSOZECCLOMB-KGLIPLIRSA-N 318.377 -0.079 30 20 DBED CC(C)N(C)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C#CC2CC2)C1 1081474265 OYEVDBMBVQJVIY-LSDHHAIUSA-N 321.421 -0.325 30 20 DBED CNC(=O)CN1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@H](OC)C1 1081563400 MVOABKYYDVCUMK-VXGBXAGGSA-N 305.338 -0.939 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2[nH]cnc2C)C1 1081591716 BZKTYBORNABZIK-NEPJUHHUSA-N 322.365 -0.530 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C(=O)NCC2CC2)C1 1081697619 FTEUWALTHGQMGA-QWHCGFSZSA-N 323.393 -0.586 30 20 DBED CO[C@@H]1CN(CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)C(N)=O 1082086741 NJOZXUNDDJVPFZ-ZIAGYGMSSA-N 319.336 -0.522 30 20 DBED CCc1c(C(=O)N[C@@H]2CN(CC#N)C[C@@H]2O)[nH]c(C)c1C(N)=O 1083521797 IEOJPDZOMNTNDU-MNOVXSKESA-N 319.365 -0.717 30 20 DBED N#Cc1ccc(CN2C[C@H](O)[C@H](NC(=O)c3cnn[nH]3)C2)s1 1083597987 YQQPUEDKQRLKRA-NEPJUHHUSA-N 318.362 -0.287 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCCN2C(=O)C(C)C)C1 1084070169 BNVLVHFETZMGGU-RDBSUJKOSA-N 307.394 -0.572 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2ccc3nn[nH]c3n2)[C@H](O)C1 1090312621 KQPQLZVDKJWLNP-GXFFZTMASA-N 314.349 -0.459 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2cnc(C3CC3)nc2O)[C@H](O)C1 1090631835 WXKBNJNZCDKCHM-VXGBXAGGSA-N 317.349 -0.252 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(c2cnc(F)cn2)C[C@@H]1O 1091152634 FCXDCMWTPFKQNN-MXWKQRLJSA-N 308.313 -0.680 30 20 DBED C[C@H](CC(N)=O)C(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@@H]1O 1091174430 IGGGQUBBIZASTK-XWIASGKRSA-N 317.349 -0.870 30 20 DBED C#CCCN1C[C@@H]2CN(C(=O)[C@@H]3CN(C)C(=O)N3)C[C@]2(C)C1 1091917455 YFZIMSIDTPNUDA-WWGRRREGSA-N 304.394 -0.186 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(c2cncc(C#N)n2)C[C@H]1O 1092153258 FITVYYGKDISBHU-QWHCGFSZSA-N 317.349 -0.393 30 20 DBED N#Cc1cncc(N2CCN(C(=O)CNC(=O)C3CC3)CC2)n1 1093138059 RJOJWCULMNPENA-UHFFFAOYSA-N 314.349 -0.477 30 20 DBED C#CCNC(=O)CC(=O)N1CCN(c2ccc(C)nn2)CC1 1093149043 UALFVDDUDSWHSJ-UHFFFAOYSA-N 301.350 -0.427 30 20 DBED CC(=O)N(C)CC(=O)NC1[C@H]2CN(c3cnc(C#N)cn3)C[C@H]12 1093218579 VZEPXPXHGVXEKR-RYUDHWBXSA-N 314.349 -0.623 30 20 DBED N#Cc1ccc(NCCNC(=O)C[C@@H]2CC(=O)NC2=O)cn1 1093717551 NWHCRSDDUAZZRM-SECBINFHSA-N 301.306 -0.466 30 20 DBED Cc1cc(C#N)nc(NCCNC(=O)[C@H]2CCN(C)C2=O)n1 1094047267 NKQWRDCOERRHIV-LLVKDONJSA-N 302.338 -0.337 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)c3n[nH]cc3C)CC2=O)C1 1094735244 IDPZEKZCCKBVRY-NSHDSACASA-N 301.350 -0.634 30 20 DBED CC[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1 1094759968 CUAGZHPZBZTAHJ-YUTCNCBUSA-N 320.393 -0.274 30 20 DBED CC#CCN1CC(N2C[C@@H](NC(=O)c3[nH]cnc3C)CC2=O)C1 1094826837 NRAQOWBTMGDEAE-LBPRGKRZSA-N 315.377 -0.244 30 20 DBED N#Cc1c[nH]ccc1=NC1CCN(C(=O)CCNC(N)=O)CC1 1095228605 MPHLQNFXSGDLHC-UHFFFAOYSA-N 316.365 -0.164 30 20 DBED C[C@H](NC(N)=O)C(=O)N1CCC[C@@H](Nc2cncc(C#N)n2)C1 1095290799 NDPPIKVLJLWFON-VHSXEESVSA-N 317.353 -0.192 30 20 DBED CCNC(=O)CC(=O)N[C@H]1CCCN(c2ccc(C#N)nn2)C1 1096160877 MSGDYOBZTLCJDT-LBPRGKRZSA-N 316.365 -0.041 30 20 DBED CNC(=O)CC(=O)NC[C@@H](N=c1cc[nH]c(C#N)n1)C1CC1 1096651056 DMLUZHVJIBRPOA-SNVBAGLBSA-N 302.338 -0.787 30 20 DBED C=CCOCC(=O)NC[C@H](C)N=c1cc[nH]c(C(=O)OC)n1 1097719288 INVWEPQXAXADPI-JTQLQIEISA-N 308.338 -0.196 30 20 DBED C[C@H](CNC(=O)CCn1cnnn1)Nc1ccc(C#N)cn1 1098010513 ACEZIUPDVRMMOW-SNVBAGLBSA-N 300.326 -0.053 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCN(C)C1=O)Nc1cnc(C#N)cn1 1098193439 DDKFASFYVXTXQO-GXSJLCMTSA-N 302.338 -0.257 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC(N(CCO)C[C@@H](C)O)CC1 1098368766 HFOWZSBXFSUHSH-KGLIPLIRSA-N 312.410 -0.309 30 20 DBED C#CCNCc1cn([C@H]2CCN(C(=O)[C@H](C)NC(C)=O)C2)nn1 1098607887 IFOYLRLPJUXZGI-FZMZJTMJSA-N 318.381 -0.701 30 20 DBED C[C@@H](CCNC(=O)CNC(=O)C1CC1)N=c1cc[nH]c(C#N)n1 1098921209 RBYUULZFYPZTGV-JTQLQIEISA-N 316.365 -0.397 30 20 DBED C=CCCCN1CC[C@@H](NC(=O)Cn2cnnc2O)[C@H](O)C1 1099789389 NACUROYLEDPDKS-VXGBXAGGSA-N 309.370 -0.499 30 20 DBED Cn1ncnc1CN1CC[C@H](NC(=O)C#CC(C)(C)C)[C@@H](O)C1 1099830103 MUOMPJVPHMQWCA-STQMWFEESA-N 319.409 -0.084 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)CCS(=O)(=O)NC)[C@@H](O)C1 1099832780 MKLCWCICNFLZJE-NEPJUHHUSA-N 319.427 -0.947 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)c2cc(C)co2)[C@@H](O)C1 1099949977 XCJURPOZODOOTQ-OLZOCXBDSA-N 319.361 -0.498 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)CC(C)(F)F)[C@H](O)C1 1099992307 XJPPWHFXGLZXDU-WDEREUQCSA-N 319.352 -0.115 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)c2ccn(C)c2)C1 1100241338 OQNPDTQPQXBAEA-UHFFFAOYSA-N 302.378 -0.128 30 20 DBED C[C@H](C(=O)NCCN(C)c1cncc(C#N)n1)S(C)(=O)=O 1100393893 ANVZHRYKYSGXMY-SECBINFHSA-N 311.367 -0.666 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)[C@@]2(C)CCOC2)C1 1100791361 KQXZJIXWGKVEES-ZUEPYMLJSA-N 307.394 -0.353 30 20 DBED C#CCNC1CC(CNC(=O)Cn2c(C)cc(C)nc2=O)C1 1100794227 LTRNHODZMBKOQC-UHFFFAOYSA-N 302.378 -0.022 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)c2cn(CC)cn2)C1 1100875918 BGVRZMCYQZMPKC-UHFFFAOYSA-N 317.393 -0.250 30 20 DBED C#CCNC1CC(CNC(=O)CCCN2C(=O)CNC2=O)C1 1100964279 UKLJCQOHEOHFOG-UHFFFAOYSA-N 306.366 -0.564 30 20 DBED CNS(=O)(=O)CCC(=O)NCC[C@@H]1CN(CC#N)C[C@H]1C 1102977370 XQOJWFGIJZYHNJ-VXGBXAGGSA-N 316.427 -0.477 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1CCNC(=O)c1nnc(O)nc1O 1103192366 OLCSLIRLEQTGAN-RKDXNWHRSA-N 306.326 -0.506 30 20 DBED CC[C@H](CNC(=O)C1(C(N)=O)CC1)Nc1cnc(C#N)cn1 1103281681 OYKLSPNXRLECPE-SECBINFHSA-N 302.338 -0.080 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)[C@H]1CCNC1=O 1104157454 NBPGMEBPSQUWNH-UWVGGRQHSA-N 302.338 -0.930 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)CCc1cnn[nH]1 1104206510 MCARVPMSBMRCIH-SNVBAGLBSA-N 314.353 -0.315 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)[C@H]1CCCNC1=O 1104715191 ZTUIAQIKADVYNH-QWRGUYRKSA-N 316.365 -0.445 30 20 DBED CN(CCN(C)c1nccnc1C#N)C(=O)[C@@H]1CC[C@@H]1C(N)=O 1105521082 AVSYXRSRCAGKAL-WDEREUQCSA-N 316.365 -0.246 30 20 DBED CN1C[C@H](C(=O)N(C)CCN(C)c2cnc(C#N)cn2)CC1=O 1105584852 OZWBRFZNXWDHQU-LLVKDONJSA-N 316.365 -0.279 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)c2cncnc2O)nc1 1106006655 BJVLCPZZXUDIFT-SNVBAGLBSA-N 314.305 -0.348 30 20 DBED C[C@@H](CC(N)=O)C(=O)NC[C@H](O)CNc1ncccc1C#N 1106060521 WQKCKQRYZGJWBU-GXSJLCMTSA-N 305.338 -0.646 30 20 DBED Cc1c(C(=O)NC[C@@H](O)CN=c2cc[nH]c(C#N)n2)ccn1C 1106085355 RRORJZZYNDCVRZ-NSHDSACASA-N 314.349 -0.380 30 20 DBED CC(=O)N[C@H](C)C(=O)N[C@@H](C)CCN=c1cc[nH]c(C#N)n1 1106209453 YFERPKOBBOELCK-VHSXEESVSA-N 304.354 -0.399 30 20 DBED C#CCO[C@H](C)C(=O)N(CC)CCNc1nccn2nnnc12 1106854093 PJYCRHUSIHTQDA-LLVKDONJSA-N 317.353 -0.182 30 20 DBED C#CCNC(=O)[C@H](C)N1CC(n2cc(CNC(=O)CC)nn2)C1 1107113399 KJVCQUBVKXEQAR-NSHDSACASA-N 318.381 -0.701 30 20 DBED C=CC(C)(C)C(=O)NCc1cn(C2CN(CC(=O)NC)C2)nn1 1107192463 MNYYUFWUPNZQNK-UHFFFAOYSA-N 320.397 -0.291 30 20 DBED C#CCNC(=O)CN1CCO[C@](C)(CNC(=O)c2ccoc2)C1 1107736256 SLGRJKNLLYVZKQ-MRXNPFEDSA-N 319.361 -0.150 30 20 DBED CCS(=O)(=O)CC(=O)N[C@H](C)CNc1nccnc1C#N 1107791639 HBQZSGBVEISDLI-SECBINFHSA-N 311.367 -0.300 30 20 DBED COC[C@H](O)CN1CCO[C@@](C)(CNC(=O)C#CC(C)C)C1 1107926594 KPADOUQCBQHCTE-ZBFHGGJFSA-N 312.410 -0.140 30 20 DBED C[C@@]1(CNC(=O)C#CC2CC2)CN([C@H]2CCNC2=O)CCO1 1107933021 WUIWMIUWRLGCGV-XJKSGUPXSA-N 305.378 -0.505 30 20 DBED C=CCCC(=O)N[C@@H]1CC(=O)N(C2CN(Cc3cnon3)C2)C1 1108519637 HUUKKIMPQKOLCZ-LLVKDONJSA-N 319.365 -0.063 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)C3(CCOC)CC3)CC2=O)C1 1108550063 VTKGSTNGVSOIDP-CYBMUJFWSA-N 319.405 -0.162 30 20 DBED C=CCCN1CC(N2C[C@H](NC(=O)CCCC(N)=O)CC2=O)C1 1108595103 FZGYTMOLBWITQO-GFCCVEGCSA-N 322.409 -0.381 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)CN(C)c1cc(C)ncn1 1108940529 CJHPCXFRVWDJNE-GFCCVEGCSA-N 303.366 -0.135 30 20 DBED Cc1cc(=NC[C@@H](NC(=O)CNC(N)=O)C2CC2)c(C#N)c[nH]1 1109753973 ONGVKRDLNUEQTF-CYBMUJFWSA-N 316.365 -0.341 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cn1cncn1 1110073192 KJSNGVPYNUMCMC-RDBSUJKOSA-N 303.366 -0.351 30 20 DBED N#Cc1c[nH]ccc1=NC1(CNC(=O)[C@H]2CCC(=O)NC2)CC1 1110402701 ZIVFMICFIHRQDL-NSHDSACASA-N 313.361 -0.038 30 20 DBED C[C@@]1(NC(=O)Cn2nccn2)CCN(c2cncc(C#N)n2)C1 1110789753 IKTGMPYHJNXTTK-CQSZACIVSA-N 312.337 -0.275 30 20 DBED CNC(=O)CC(=O)N1C[C@H](CN=c2cc[nH]c(C#N)n2)[C@@H](C)C1 1111240800 ITBNGLUJSRANSI-QWRGUYRKSA-N 316.365 -0.587 30 20 DBED N#Cc1nc(=NCCN(CCO)C(=O)Cc2ccoc2)cc[nH]1 1111457250 PUHNATPRIBTAFK-UHFFFAOYSA-N 315.333 -0.161 30 20 DBED N#Cc1ccc(NCC2(NC(=O)CC(N)=O)CCOCC2)nc1 1112245280 LLMUWRDBEVCJIL-UHFFFAOYSA-N 317.349 -0.094 30 20 DBED CC1(C)CN(c2ccc(C#N)nn2)CC[C@H]1NC(=O)CC(N)=O 1112371021 DFYPKXOYMIVLBE-LLVKDONJSA-N 316.365 -0.055 30 20 DBED C#CCNC(=O)CC(=O)N1CCN(Cc2ncc(C)cn2)CC1 1112777507 AFWODYODUPVJOA-UHFFFAOYSA-N 315.377 -0.431 30 20 DBED C[C@@H](NC(=O)CN1CCOCC1)[C@@H](C)Nc1cncc(C#N)n1 1112971169 MXNKOVRPAJLULF-VXGBXAGGSA-N 318.381 -0.014 30 20 DBED C[C@@H](NC(=O)CCNC(N)=O)[C@@H](C)Nc1ccc(C#N)nn1 1113039775 VDPZBZSWRRLYMY-RKDXNWHRSA-N 305.342 -0.288 30 20 DBED C[C@@H](C(=O)N1CCN(CC(=O)NCC#N)CC1)C(F)(F)F 1113211384 KSDJQDXKIHHJST-VIFPVBQESA-N 306.288 -0.031 30 20 DBED C[C@@H](CNC(=O)CS(C)(=O)=O)N(C)c1nccnc1C#N 1113521474 WMZWPXZRMMRPMD-VIFPVBQESA-N 311.367 -0.666 30 20 DBED Cc1cc(C#N)nc(N(C)[C@H](C)CNC(=O)C2(C(N)=O)CC2)n1 1113845948 VNLSIJXYUGYAQT-SNVBAGLBSA-N 316.365 -0.137 30 20 DBED C[C@@H](CNC(=O)[C@H]1CNC(=O)N1)N(C)c1ncc(C#N)cc1F 1113869427 MTKDDKZJQJACID-GZMMTYOYSA-N 320.328 -0.285 30 20 DBED Cc1cc(N(C)[C@@H](C)CNC(=O)[C@H]2CNC(=O)N2)c(C#N)cn1 1113869717 RIHGQRWHATWQKA-CMPLNLGQSA-N 316.365 -0.116 30 20 DBED C=CCCC(=O)NC1[C@@H]2CN(CCN3C(=O)CNC3=O)C[C@@H]12 1114024970 HCIKSPQISZQLOP-GHMZBOCLSA-N 306.366 -0.449 30 20 DBED Cc1[nH]ccc1C(=O)NC1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]12 1114105762 KIOAHDSBDYFZSA-VXGBXAGGSA-N 301.350 -0.377 30 20 DBED N#CCOc1cccc(NC(=O)C(=O)N2C[C@@H](O)C[C@H]2CO)c1 1116717305 QJVAQXYTRJBVFV-RYUDHWBXSA-N 319.317 -0.518 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)NCCOc2ccccc2)CCO1 1116984388 RXXYFZKQOLKCHP-CYBMUJFWSA-N 303.318 -0.067 30 20 DBED CCN1CCN(C[C@H](C)CNC(=O)C(=O)NCCCC#N)CC1 1117085608 IOLZUZZYQUBWLD-CQSZACIVSA-N 323.441 -0.204 30 20 DBED CC(C)CN1CCN(C(=O)C(=O)N2CC[C@@](F)(C#N)C2)CC1=O 1117954424 HYQFYZXXZQOJPJ-OAHLLOKOSA-N 324.356 -0.223 30 20 DBED C[C@@H](CN(C)C(=O)CC(=O)N(C)C)N=c1cc[nH]c(C#N)n1 1120752421 NFBHMLBNHPWSHH-JTQLQIEISA-N 304.354 -0.493 30 20 DBED Cc1cc(C(=O)NC[C@H](CO)N=c2cc[nH]cc2C#N)n(C)n1 1121150339 JRHQSSOVMHAOTP-GFCCVEGCSA-N 314.349 -0.380 30 20 DBED CC[C@@H](C)OCC(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1 1121316947 FPLGLRYPQUAABZ-MNOVXSKESA-N 307.354 -0.526 30 20 DBED C#CCCNC1CC2(C1)CC(NC(=O)c1nnc(O)nc1O)C2 1121367864 HDOBPIWDISTXJW-UHFFFAOYSA-N 317.349 -0.063 30 20 DBED N#Cc1cnc(N[C@H](CO)CNC(=O)Cn2ccnc2)cn1 1121716883 BNBJLGFEGHAPMY-NSHDSACASA-N 301.310 -0.866 30 20 DBED CN1CC[C@@H](CC(=O)NC[C@@H](CO)Nc2cncc(C#N)n2)C1 1121806361 KIODAHNWUPZTQE-AAEUAGOBSA-N 318.381 -0.421 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)[C@H]2CCCNC2=O)nc1 1122148033 QCAXGBOSWOZHPB-RYUDHWBXSA-N 317.349 -0.632 30 20 DBED Cc1nc(C)c(C(=O)NC[C@H](CO)N=c2cc[nH]cc2C#N)[nH]1 1122592886 HJVJQRDPFCXCFB-GFCCVEGCSA-N 314.349 -0.082 30 20 DBED Cc1nc(C)c(C(=O)NC[C@@H](CO)Nc2ccc(C#N)nn2)[nH]1 1122594574 UDUPQSUAZNXAQY-NSHDSACASA-N 315.337 -0.109 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)c1cccnc1 1122634014 MMYIGKNUCNWCPJ-UHFFFAOYSA-N 305.338 -0.587 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H](CO)CNC(=O)Cc1cscn1 1122652270 MFUOTYBDLKZHFK-GFCCVEGCSA-N 317.374 -0.037 30 20 DBED CC(=O)NCC(=O)N1C[C@@H](N=c2cc[nH]c(C#N)n2)C[C@H]1C 1123121747 OPYHIDQIALXGHI-KOLCDFICSA-N 302.338 -0.692 30 20 DBED CC(=O)NCC(=O)N(C)C[C@H](O)CNc1ccc(C#N)cn1 1124085948 GNQKZNBWDAIADH-GFCCVEGCSA-N 305.338 -0.679 30 20 DBED Cc1cc(NC[C@H](O)CN(C)C(=O)[C@H](C)C#N)n2ncnc2n1 1124191669 OLIMIZYZRXVYRO-KOLCDFICSA-N 317.353 -0.176 30 20 DBED COCCOCC(=O)N(C)C[C@H](O)CNc1nccnc1C#N 1124191940 RLXJUHUEUNMARG-LLVKDONJSA-N 323.353 -0.758 30 20 DBED CN(C[C@@H](O)CNc1nccnc1C#N)C(=O)c1ncccn1 1124456474 WHPREFBQRUXWLN-JTQLQIEISA-N 313.321 -0.317 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)CCC(=O)NCC 1124732097 CGWUSBKVIALYLD-UHFFFAOYSA-N 324.425 -0.191 30 20 DBED C=CCOCC(=O)NCCNCCCNC(=O)C(F)(F)F 1124768197 WEJBHFLBTNEPPF-UHFFFAOYSA-N 311.304 -0.037 30 20 DBED C=CCOCC(=O)NCCNCC(=O)NCCCOC(C)C 1124773148 NLQMXWIIYXXKCA-UHFFFAOYSA-N 315.414 -0.174 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)[C@@H](C)n1cncn1 1125926127 YXNVIWPSBPDSAA-GFCCVEGCSA-N 321.385 -0.693 30 20 DBED C=C[C@](C)(O)CC(=O)NCCNCC(=O)NCC(F)(F)F 1126359761 AWMWUKLPOYNKKN-NSHDSACASA-N 311.304 -0.302 30 20 DBED C=C[C@](C)(O)CC(=O)NCCNCC1CCS(=O)(=O)CC1 1126365069 FOFHRYXPIFDJOI-AWEZNQCLSA-N 318.439 -0.156 30 20 DBED C#CCCCC(=O)N[C@@H]1CCc2nnc(CNCCO)n2CC1 1127991085 OOCLWFHCVQKWDX-CYBMUJFWSA-N 319.409 -0.015 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H](C2CC2)N(C)C)C1 1129043089 GPCJBQKLAMQXSE-QLFBSQMISA-N 316.409 -0.407 30 20 DBED CCc1c(C(=O)NCCNCC#CCOC)[nH]c(C)c1C(N)=O 1129381366 UIHWWAWIVIXAHE-UHFFFAOYSA-N 320.393 -0.046 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)Cc2cn(C)nc2C)C1=O 1129597362 SFAWVOQGHOPEDK-CQSZACIVSA-N 319.409 -0.236 30 20 DBED CC#CCN[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@@H]1n1ccnn1 1129803311 FQBXWROHENXBHX-YPMHNXCESA-N 314.353 -0.915 30 20 DBED C#CCNC(=O)CN1C[C@H](NC(=O)c2cnsn2)CC[C@@H]1C 1131840068 ZHVDXQVCOHZAPD-WDEREUQCSA-N 321.406 -0.130 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@]1(C)CCC(=O)NC1 1132717521 BAMFMWZJYVIZLX-IAQYHMDHSA-N 310.398 -0.701 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)CCc1nc[nH]n1 1134041384 FYARMEUUGBGLRS-VXGBXAGGSA-N 320.397 -0.640 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)c1nn(C)cc1C 1134333371 NNBRTMAUUTYUHZ-CHWSQXEVSA-N 319.409 -0.036 30 20 DBED C=CCNC(=O)CN1CCC2(C1)CN(C(=O)c1ncc[nH]1)C2 1147482693 DXEBXCKQYAQWQC-UHFFFAOYSA-N 303.366 -0.140 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@H]1Cc2cccnc2C1 1149180090 ACBXOHJTEHJCIQ-ZDUSSCGKSA-N 302.378 -0.196 30 20 DBED Cn1ncnc1COCC(=O)NC[C@@H]1CN(CC#N)CCCO1 1150541736 QXSAETKGBQFTOA-GFCCVEGCSA-N 322.369 -0.938 30 20 DBED C#CCN1CC=C(CCNC(=O)CN2CCOCC2=O)CC1 1160392785 RWESJEMIDIOAHV-UHFFFAOYSA-N 305.378 -0.383 30 20 DBED C=CCNC(=O)CNCCCNC(=O)c1n[nH]c2c1CCC2 1161681752 NNOGJLQRBBNRDB-UHFFFAOYSA-N 305.382 -0.090 30 20 DBED CC#CCNCC1(CCNC(=O)[C@H](C)NS(C)(=O)=O)CC1 1167328365 AUDBAJHMXJUPJB-LBPRGKRZSA-N 315.439 -0.177 30 20 DBED C=CCNC(=O)CNCCCNC(=O)Cc1cnn(CC)c1 1170810598 HZZBTIUMJQQHTP-UHFFFAOYSA-N 307.398 -0.156 30 20 DBED C[C@H](CCCCNCC(=O)NCC#N)NC(=O)c1cncn1C 1171691166 KMQOJYLTIYZEGP-GFCCVEGCSA-N 320.397 -0.062 30 20 DBED COCC#CCN1CCO[C@H]2CCN(C(=O)c3cc[nH]n3)C[C@@H]21 1176918569 XFJHZOQONWUYBZ-GJZGRUSLSA-N 318.377 -0.025 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)Cc2cncn2C)[C@H]1C 1179929242 IUBDXIGHLAIAFH-JSGCOSHPSA-N 317.393 -0.709 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2n[nH]cc2C)C1 1182388088 AEDVKCBSXPARGQ-NWDGAFQWSA-N 303.366 -0.340 30 20 DBED C[C@@H]1CN(C(=O)CN2C(=O)CCC2=O)C[C@@]1(C)CNCC#N 1183357156 XUOFTUTWDOVKHM-IAQYHMDHSA-N 306.366 -0.267 30 20 DBED C=CCNC[C@H]1CCN(C(=O)CN2CC(=O)NC2=O)C[C@@H]1C 1185327570 RHXTXHOIFKPKLM-NWDGAFQWSA-N 308.382 -0.202 30 20 DBED C=CCNCc1cn([C@H]2CCCN(C(=O)CNC(N)=O)C2)nn1 1185872409 HRUFBDCHTVOMJA-LBPRGKRZSA-N 321.385 -0.615 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)CCCCC(N)=O)C1 1186948358 CHNYHXIOKCCBBN-CHWSQXEVSA-N 322.409 -0.640 30 20 DBED C=CCC[C@@H](C)N[C@@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 1188126209 TUSKJKDKIUGCPQ-VXGBXAGGSA-N 320.397 -0.078 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](N(C)CC(=O)NC(=O)NC2CC2)C1 1189388089 BUJWOAXCKKKHFR-ZYHUDNBSSA-N 321.381 -0.333 30 20 DBED COCC#CCN(C)[C@H]1CCN(C(=O)c2nccnc2N)C1 1189437796 IJUQTTNHWUMVFN-LBPRGKRZSA-N 303.366 -0.145 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)c2occc2C)C1 1191011401 ICFKXAYTHDQCBK-YNEHKIRRSA-N 319.361 -0.499 30 20 DBED C=C(C)CCC(=O)N[C@@H]1CN(CCN2C(=O)CCC2=O)C[C@H]1O 1193377054 NQIISMVZMGZZOJ-CHWSQXEVSA-N 323.393 -0.347 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)[C@@H](Cn2cccn2)N(C)C)C1 1193738059 LPWVEGIUQKBCAH-RBSFLKMASA-N 321.425 -0.449 30 20 DBED COc1ccc(CCC(=O)N[C@@H]2CN(CC#N)C[C@H]2O)cn1 1194631268 AJGSODIWNAUXIE-CHWSQXEVSA-N 304.350 -0.292 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)[C@@H](CCC)S(N)(=O)=O)C1 1194976068 QQJVCJHRCRZOLA-IJLUTSLNSA-N 319.427 -0.819 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C2CCC(=C)CC2)C1 1195876192 JFEMLBIFYCGIMM-HUUCEWRRSA-N 319.405 -0.357 30 20 DBED C#CCNC(=O)[C@H](C)N1CCCN(C(=O)c2cnco2)CC1 1196690149 OSOCZHKQDYVSNR-LBPRGKRZSA-N 304.350 -0.040 30 20 DBED C[C@@H](C(N)=O)N1C[C@@H](O)[C@H](NC(=O)CC#Cc2ccccc2)C1 1198939636 BLQYJINFABFZEQ-NWANDNLSSA-N 315.373 -0.537 30 20 DBED C#CCNC(=O)CNC[C@H]1CN(C(=O)C#CC2CC2)CCCO1 1200452976 PMTNOFRCVOSFSE-HNNXBMFYSA-N 317.389 -0.644 30 20 DBED C#Cc1ccc(C(=O)N2CCCO[C@@H](CNCC(N)=O)C2)cc1 1201120221 MFKALVJCRWYEPO-HNNXBMFYSA-N 315.373 -0.026 30 20 DBED CC(C)(C(=O)N1CCCO[C@H](CNCC#N)C1)S(C)(=O)=O 1201558281 NIORIXSVFISQRD-LLVKDONJSA-N 317.411 -0.460 30 20 DBED N#CCNC(=O)CNC1CCN(C(=O)[C@@H]2[C@H]3COC[C@H]32)CC1 1202067889 JKXNJWZBUZOQNT-IMRBUKKESA-N 306.366 -0.901 30 20 DBED N#CCNC(=O)CN[C@H]1C[C@@H](NC(=O)c2nc[nH]n2)C12CCC2 1203500510 QQKDMUFKKSRTJI-VHSXEESVSA-N 317.353 -0.925 30 20 DBED C=CCOCC(=O)N1C[C@H]2CC[C@H]1[C@H](NCc1nnn(C)n1)C2 1204134088 CJZIVVXYGKHQJP-XQQFMLRXSA-N 320.397 -0.118 30 20 DBED C#CCNC(=O)CN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)c1ncc[nH]1)C2 1204295699 NRHBWJWGBZLXMA-JHJVBQTASA-N 315.377 -0.258 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)CCN(C)C)CC1 1206138280 KQENUMFNSFPECP-UHFFFAOYSA-N 308.426 -0.484 30 20 DBED C#CCNCC1CCN(C(=O)CN2C(=O)NC(C)(C)C2=O)CC1 1206913059 SRIOVIMZHRQNJE-UHFFFAOYSA-N 320.393 -0.222 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)[C@H]2CCN(C)C2)CC1 1206927822 SBYJUWIOAHGDFI-HNNXBMFYSA-N 320.437 -0.484 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCCN(C(=O)c2cc[nH]n2)C1 1207418280 BNVRMPRHPVISRW-NWDGAFQWSA-N 303.366 -0.258 30 20 DBED COC1CC(C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@H]2C)C1 1207659067 GRMVBWUAZOBCPL-IKWCTNDRSA-N 308.382 -0.512 30 20 DBED N#CCNC(=O)CN[C@H]1CCCN(C(=O)CC2OCCCO2)C1 1207886383 WXIQRTILLNHRKP-LBPRGKRZSA-N 324.381 -0.640 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)C2(CN(C)C)CC2)C1 1209287876 OWGXSRLLETYMQV-AWEZNQCLSA-N 320.437 -0.342 30 20 DBED COCC#CCN1C[C@@H](NC(=O)c2cnn(C)c2C)[C@H](OC)C1 1211847308 DXTJUYGZEOISIG-HUUCEWRRSA-N 320.393 -0.193 30 20 DBED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)C1=CCCC1 1212116964 KILCYZFTHQSGEA-CHWSQXEVSA-N 306.366 -0.448 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)c2cncnc2O)C[C@H]1C 1214927648 CQOKJVRQDDXEES-ZYHUDNBSSA-N 319.365 -0.466 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)/C=C(\C)C2CC2)C1 1219283921 FVGTUCHFAGPTAL-PRWSJVRLSA-N 319.405 -0.358 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 1220389388 HEMHUYQFJKRABN-ZSAUSMIDSA-N 310.394 -0.082 30 20 DBED C=CCCn1cc(C(=O)N[C@@H]2CN(CCCOC)C[C@@H]2O)nn1 1220514762 DPALFDXDAJBOPT-OCCSQVGLSA-N 323.397 -0.334 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@H](C)Cc2c(C)n[nH]c2C)C1 1221010098 YCCQIYNJQZTDMQ-KMUNFCNLSA-N 304.394 0.000 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(Cc2cnnn2C)C[C@@H]1O 1221139656 HZOQPQBLPSSJAA-OLZOCXBDSA-N 309.370 -0.931 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)CNC(=O)C(CC)CC)C1 1221211522 RZBMDKVLVXPFGZ-KGLIPLIRSA-N 309.410 -0.277 30 20 DBED CS[C@@H](C)C(=O)N1C[C@H]2CCN(CC(=O)NCC#N)C[C@H]21 1221302567 NZYZSDLKYQWURO-QJPTWQEYSA-N 310.423 -0.090 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CCCC[C@H]1NCc1nc(=O)n(C)[nH]1 1225396152 ZVJNMYOUBQELHQ-GMTAPVOTSA-N 306.370 -0.215 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC(NC(=O)[C@@H]2[C@H]3COC[C@H]32)CC1 1228736690 KGCCVPIWTPBMJM-SPWCGHHHSA-N 319.405 -0.403 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N[C@H]1CCC[C@H]1C(=O)NC 1261151000 KKHWQTZUHOLERA-OLZOCXBDSA-N 303.362 -0.498 30 20 DBED CCNC(=O)[C@@H](C)NC(=O)C(=O)Nc1cc(C)n(CCC#N)n1 1319670438 AJFBJOYWQTUFCP-SNVBAGLBSA-N 320.353 -0.316 30 20 DBED C[C@]1(C(N)=O)CCN(C(=O)C(=O)Nc2cnn(CC#N)c2)C1 1322498478 VXEUTPHVYSPFQD-ZDUSSCGKSA-N 304.310 -0.931 30 20 DBED C[C@@H](C(=O)N(C)CCC#N)N1CCC2(CC1)NC(=O)NC2=O 1323084428 BYUFQUBFNPMICW-JTQLQIEISA-N 307.354 -0.579 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@@H]1CC[C@@H](OC)C1 1323587263 UCWQPPMINGLZPB-GHMZBOCLSA-N 318.395 -0.613 30 20 DBED Cn1cnnc1COCC(=O)OCC(=O)N[C@@](C)(C#N)C1CC1 1324278799 OVDMAXULTGIIJL-AWEZNQCLSA-N 321.337 -0.317 30 20 DBED CCN(CC)[C@@H]1CCN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)C1 1326513842 XITDGFIJDZTZAG-CJNGLKHVSA-N 322.409 -0.194 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1C[C@H]2[C@@H](C1)C2(C)C 1327403096 KCEOZVIDOPQNKH-PHIMTYICSA-N 314.407 -0.182 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N[C@@H](C)c1ncn(C)n1 1330306251 PJPAWFYWMQGGHE-WDEREUQCSA-N 307.354 -0.463 30 20 DBED N#CC[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](NC(N)=O)C2)C1 1333435156 CEZZXMIUFPPERX-WDEREUQCSA-N 307.354 -0.592 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)NC[C@@H]2CCCN2)CCN1C1CC1 1333613493 DOMWTULABGXDKU-AAEUAGOBSA-N 305.382 -0.947 30 20 DBED CN1C(=O)[C@@H]2CN(c3nnc(CCCC#N)n3C)C[C@@H]2C1=O 1340023579 XBUOYYJRWRQJDA-AOOOYVTPSA-N 302.338 -0.288 30 20 DBED C=CCN1CC[C@@H](N(C)c2nnnn2Cc2ccon2)C1=O 1351056910 CHWAGWBPSFJXDD-LLVKDONJSA-N 303.326 -0.068 30 20 DBED N#Cc1cn(CC(=O)N[C@H]2CCc3c[nH]nc3C2)c(=O)nc1O 1362572387 WUKAPOLYIQUWFV-JTQLQIEISA-N 314.305 -0.783 30 20 DBED CNC(=O)[C@@H]1CN(S(=O)(=O)CC(C)(C)CC#N)CCO1 1363963678 JJSMTOXEIYZFJU-JTQLQIEISA-N 303.384 -0.297 30 20 DBED C=C(Cl)CN[C@@H](C)CN(C)C(=O)CN1CCN(C)C(=O)C1 1369263552 QWZBRTDEBFDLND-LBPRGKRZSA-N 316.833 -0.051 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@@H](CNC(=O)C[C@H]2CCC(=O)N2)C1 1371678897 SZNQLBXVIJFSQN-KKOKHZNYSA-N 306.366 -0.174 30 20 DBED N#Cc1cc(C(=O)NC[C@@H](O)CNC(=O)c2cccnc2)c[nH]1 1399770638 TYRRJUFFVNYCBI-ZDUSSCGKSA-N 313.317 -0.198 30 20 DBED N#Cc1cc(C(=O)NC[C@@H](O)CNC(=O)COCC2CC2)c[nH]1 1399810532 YRBWFRQRVSJSIT-ZDUSSCGKSA-N 320.349 -0.480 30 20 DBED C[C@@H](Nc1[nH]c(=O)n(C)c(=O)c1C#N)C(=O)NCc1ccco1 1412873565 KGUNLGKOSZMAHP-MRVPVSSYSA-N 317.305 -0.345 30 20 DBED CN(C[C@@H](O)CNC(=O)[C@@H]1CCOC1)C(=O)c1cc(C#N)c[nH]1 1413262002 XVTVPMLDNGYNAY-NEPJUHHUSA-N 320.349 -0.528 30 20 DBED COCC(=O)NC[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)CCCO1 1413743453 GQKMBXJYUSVGDB-LBPRGKRZSA-N 320.349 -0.120 30 20 DBED CCC[C@@H](NC(N)=O)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)C#N 1416143008 KOIFBOREWDXSRJ-NOOOWODRSA-N 321.381 -0.205 30 20 DBED Cc1onc(CC(=O)NC[C@]2(O)CCS(=O)(=O)C2)c1C#N 1417868824 RGDYMBPEUDVEHR-GFCCVEGCSA-N 313.335 -0.937 30 20 DBED C=C(Cl)CN[C@H](C)CNC(=O)CNC(=O)CNC(C)=O 1419784600 CCXRWIZFBHSVJC-SECBINFHSA-N 304.778 -0.915 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](C)CNC(=O)CN(C)C(=O)C1CC1 1432984268 ZBESANSAXGFUGS-QWRGUYRKSA-N 308.382 -0.117 30 20 DBED N#CCC1(CS(=O)(=O)N2CCSC[C@H]2C(N)=O)CC1 1434565603 KNASVEADMQUKBL-VIFPVBQESA-N 303.409 -0.087 30 20 DBED C=C(Cl)CN[C@H](C)[C@@H]1CN(C(=O)CS(C)(=O)=O)CCO1 1448470024 RMFYRGPDDGOWMP-MNOVXSKESA-N 324.830 -0.011 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]1CNC(=O)CN1CCCNC1=O 1453186158 BVBSVHNNKGAXEI-WDEREUQCSA-N 307.354 -0.722 30 20 DBED CCN(CCNC(=O)Cn1ccccc1=O)C(=O)[C@@H](C)C#N 1455566585 GJGQQJQNSOEDFD-LBPRGKRZSA-N 304.350 -0.027 30 20 DBED CCN(CCC#N)C(=O)CN1CC(O)(CNC(=O)C(C)C)C1 1484259562 GCKDOMZVSNRDIW-UHFFFAOYSA-N 310.398 -0.433 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H](C)CNC(=O)c1cn(C)c(=O)nc1O 1486876017 ONESGDSTYNORDR-DTWKUNHWSA-N 321.337 -0.778 30 20 DBED C[C@H](C#N)C(=O)N1CC([C@@H](C)NC(=O)CCc2cnn[nH]2)C1 1509513702 KUCKDQLKGSENTQ-NXEZZACHSA-N 304.354 -0.140 30 20 DBED C[C@H](CN(C)C(=O)CCS(C)(=O)=O)NC(=O)[C@H](C)C#N 1510649565 XUJIKMCNQSITBP-NXEZZACHSA-N 303.384 -0.456 30 20 DBED CC(=O)N(C)CC(=O)N1CC(CNC(=O)c2cc(C#N)c[nH]2)C1 1530727511 IIGIDFZTLGECIS-UHFFFAOYSA-N 317.349 -0.447 30 20 DBED CN1C(=O)COc2ccc(C(=O)N3CCNC[C@H]3C#N)cc21 1578514424 HTSGXSPDQQSQBB-LLVKDONJSA-N 300.318 -0.021 30 20 DBED CN1CCO[C@H](CSc2cnc(-c3nn[nH]n3)c(C#N)n2)C1 1579378792 OEGPUHORCBXFOO-QMMMGPOBSA-N 318.366 -0.049 30 20 DBED C#CC[C@@H](NC(=O)[C@H](C)n1cnc2c(N)ncnc21)C(=O)O 1588399667 WYNWLSUAKLIHKR-JGVFFNPUSA-N 302.294 -0.438 30 20 DBED C#CC[C@@H](NC(=O)[C@@H]1CCC(=O)N(c2cnn(C)c2)C1)C(=O)O 1588405540 HFZGTJZWRZPXIM-ZYHUDNBSSA-N 318.333 -0.244 30 20 DBED C=CCCC(=O)NC[C@@H](CO)Nc1cncc(-c2nn[nH]n2)n1 1588570589 OSPLXOBJBBDESS-VIFPVBQESA-N 318.341 -0.488 30 20 DBED C=CCOC[C@@H](NS(=O)(=O)N(C)[C@H](C)CC#N)C(=O)O 1588866352 MQFOTNAPHAOMII-NXEZZACHSA-N 305.356 -0.289 30 20 DBED CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1ccn(CC(=O)O)n1 1589719764 ITGJOOQGSWZZDD-SECBINFHSA-N 307.310 -0.086 30 20 DBED CO[C@@H](Cn1c(N)nc(-c2nn[nH]n2)c1C#N)[C@H]1CCOC1 1591333145 JEXXZQWFEOLQBZ-CBAPKCEASA-N 304.314 -0.431 30 20 DBED O=C(O)C[C@H]1C(=O)NCCN1C(=O)c1cccc(C#CCO)c1 1601939981 FTLMMFLSBOBJEN-ZDUSSCGKSA-N 316.313 -0.554 30 20 DBED C#CCN(C)CCCNC(=O)C(=O)Nc1cc(C(=O)O)n(C)c1 1609137350 OKWVYHXHIAARSI-UHFFFAOYSA-N 320.349 -0.267 30 20 DBED N#Cc1ccc(S(=O)(=O)N2CCC[C@@H](O)[C@@H]2C(=O)O)o1 1610630398 YNKIKPNHGFGMCJ-PSASIEDQSA-N 300.292 -0.250 30 20 DBED CN(C)S(=O)(=O)c1c[nH]c(C(=O)N2CC(O)(CC#N)C2)c1 1645748106 UIDOEZRHJDEFAN-UHFFFAOYSA-N 312.351 -0.634 30 20 DBED COCC#CCN1CCN(CCCNC(=O)[C@H]2CCOC2)CC1 1752340012 UXVGUYVEPNTLDH-INIZCTEOSA-N 323.437 -0.203 30 20 DBED C#CCNC(=O)CN[C@@H](CNC(=O)Cc1cnc[nH]1)C1CC1 1752484733 RHDUZWOBFNYKKV-ZDUSSCGKSA-N 303.366 -0.814 30 20 DBED C#CCN1CCCC[C@@H]1CNC(=O)CCS(=O)(=O)NC 1752818452 CFQZRUZRJZYFFF-GFCCVEGCSA-N 301.412 -0.470 30 20 DBED C=CCNC(=O)CN(CC)CCNC(=O)[C@@H]1CCN(C)C(=O)C1 1753084920 IHQDNAJDVUKZAS-CYBMUJFWSA-N 324.425 -0.405 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C)n1C 1753417242 NMUNTKIZXGRKDL-KBPBESRZSA-N 314.389 -0.018 30 20 DBED C=CCNC(=O)CNC[C@@H](C)CNC(=O)[C@H]1CCNC(=O)C1 1753610505 UAEZCSVCRVOAFP-NEPJUHHUSA-N 310.398 -0.843 30 20 DBED COCC#CCNC[C@H](C)CNC(=O)CCc1cnn(C)n1 1753631467 VZKVBVSKGBHGPE-ZDUSSCGKSA-N 307.398 -0.261 30 20 DBED C=CCNC(=O)[C@H](C)NCC[C@H](C)NC(=O)c1cn(C)c(O)n1 1753997461 YWPZIWLSOYEZFE-QWRGUYRKSA-N 323.397 -0.086 30 20 DBED N#CCNC(=O)CNC[C@H](NC(=O)c1ccncn1)C1CC1 1754454146 BSEVDJGTWFYHGQ-LBPRGKRZSA-N 302.338 -0.786 30 20 DBED C#CCNC(=O)[C@H](C)NC1(CNC(=O)c2snnc2C)CC1 1754508194 QVGXMKVJHHFXSF-JTQLQIEISA-N 321.406 -0.164 30 20 DBED C=CCOCCN1CC[C@](O)(CNC(=O)Cn2ccnc2)C1 1754762547 SDBOUUPQKQTFFR-HNNXBMFYSA-N 308.382 -0.361 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC(O)(CNC(=O)c2ccc(C)o2)C1 1754763649 ZSZZHBAQIODRIV-GFCCVEGCSA-N 319.361 -0.498 30 20 DBED C#CCNC[C@H]1CN(C(=O)c2cn(CCOC)nn2)C[C@H]1C 1754815793 XRSQATUIXFVCBT-OLZOCXBDSA-N 305.382 -0.145 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCO[C@H](CNCc2cnnn2C)C1 1754999363 HAGMFKSYONIBQS-HIFRSBDPSA-N 323.397 -0.541 30 20 DBED C=CCNC[C@H]1CN(C(=O)C[C@@H]2CCS(=O)(=O)C2)CCO1 1755004865 KGHNJKWLSYCFJY-STQMWFEESA-N 316.423 -0.186 30 20 DBED C=C(C)CN1CC2(C[C@@H](NC(=O)C[C@@H](C)NC(N)=O)CO2)C1 1755061421 KDPYZZPNCKHQAG-VXGBXAGGSA-N 310.398 -0.031 30 20 DBED CCC(=O)N1CCCC[C@@H]1C(=O)NC1(CCO)CN(CC#N)C1 1755333273 DFYAWIOMKVFBLV-CYBMUJFWSA-N 322.409 -0.146 30 20 DBED CN1C(=O)CN(CC(=O)NC[C@H]2CCCCCN2CC#N)C1=O 1755367931 LNNQYBINTYVRQZ-GFCCVEGCSA-N 321.381 -0.235 30 20 DBED CC1(C)CN(CC(=O)NCC#N)C[C@H]1NC(=O)c1cncnc1 1755404954 IDHBSUBWCHABEP-GFCCVEGCSA-N 316.365 -0.443 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H](CO)CNC(=O)c1c(C)ccn1C 1755625345 JHHSVKFWGMNMGO-CHWSQXEVSA-N 322.409 -0.295 30 20 DBED CC#CCN[C@@H](CO)CNC(=O)C1(S(C)(=O)=O)CCC1 1755644075 WPYLMRBFTOREFX-LLVKDONJSA-N 302.396 -0.956 30 20 DBED CN(C[C@@H](O)CNCC#N)C(=O)c1ccc2c(c1)nnn2C 1755793066 MRPXHUZPTVYDTL-NSHDSACASA-N 302.338 -0.486 30 20 DBED CCn1ccc(C(=O)N(C)C[C@@H](O)CN(C)CC#CCOC)n1 1755804715 HCILQLACPQOHSI-AWEZNQCLSA-N 322.409 -0.083 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H](CO)CNC(=O)c1ccccc1O 1756503542 JWQBTDDGRSDALG-BDJLRTHQSA-N 322.361 -0.074 30 20 DBED CC(C)(C)C#CC(=O)NC[C@H](CO)NC(=O)[C@@H]1[C@H]2COC[C@H]21 1756519027 AJEBRVPJBLNARJ-NMKXLXIOSA-N 308.378 -0.478 30 20 DBED Cc1nonc1C(=O)N(C)C[C@H](O)CNC(=O)C#CC(C)(C)C 1756670560 XXCMEPGGPHYKTD-LLVKDONJSA-N 322.365 -0.023 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](NC(=O)[C@@H](C)OC)[C@H](C)C1 1757059555 VQACVELXKOJJLQ-IJLUTSLNSA-N 309.366 -0.876 30 20 DBED C#CCOCCC(=O)N1C[C@H](O)[C@H](NC(=O)C2(COC)CC2)C1 1757191603 SSMZBXKBGFAZHQ-OLZOCXBDSA-N 324.377 -0.859 30 20 DBED C#CCCCC(=O)N1CCCC12CN(C(=O)Cn1cnnn1)C2 1846373126 NWXGTXPKQVJJMX-UHFFFAOYSA-N 316.365 -0.320 30 20 DBED C[C@H](C#N)CN(C)C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 80028023 MGXOTTOFTCSYQJ-SECBINFHSA-N 315.333 -0.136 30 20 DBED C[C@@H](C#N)CN(C)C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 80028026 MGXOTTOFTCSYQJ-VIFPVBQESA-N 315.333 -0.136 30 20 DBED N#Cc1cc(F)ccc1S(=O)(=O)NC[C@@H]1CN2CCN1CC2 178878591 JNVHAJDQZXJMPY-CYBMUJFWSA-N 324.381 -0.025 30 20 DBED Cc1cccc(S(=O)(=O)NCCN2C(=O)CNC2=O)c1C#N 269673014 PTOPUHHZAMJQOR-UHFFFAOYSA-N 322.346 -0.303 30 20 DBED CN(C[C@H]1CCCC[C@@H]1O)c1c(C#N)c(=O)n(C)c(=O)n1C 272243124 RHESSUGVYJKIGC-PWSUYJOCSA-N 306.366 -0.057 30 20 DBED Cc1ccc(C#N)cc1S(=O)(=O)NN1CC(=O)N(C)C1=O 272828366 GHTDELDIZOYCNX-UHFFFAOYSA-N 308.319 -0.046 30 20 DBED CCS(=O)(=O)NCCCNS(=O)(=O)c1ccc(C#N)o1 286969509 RSZBBDLAEJMYFF-UHFFFAOYSA-N 321.380 -0.241 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@H]2CCSC2)C1=O 287043895 SLWDDAMQDDJTQN-WDEREUQCSA-N 311.407 -0.147 30 20 DBED CN(C)C(=O)CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 299247210 TXYXXVJWBDUCPL-UHFFFAOYSA-N 324.362 -0.959 30 20 DBED COCCN1CN(/C(O)=N/[C@H]2CCCn3ncnc32)CC1=O 328761424 YAWSHGYGOFZBKZ-JTQLQIEISA-N 308.342 -0.225 30 20 DBED CN(C)C(=O)Cn1cnc(N/C(O)=N/[C@@]2(C)CCCOC2)n1 329157786 WLRVTVNVOXFSHJ-ZDUSSCGKSA-N 310.358 0.261 30 20 DBED C[C@H](CN1CCOCC1)/N=C(/O)N1CCN2CCOC[C@@H]2C1 329863912 ZMMRUESUZZJOKC-KGLIPLIRSA-N 312.414 -0.363 30 20 DBED CC(=O)N1CC(/N=C(/O)c2csc(S(N)(=O)=O)c2)C1 329880684 NUJZRBWCKWUZFA-UHFFFAOYSA-N 303.365 -0.069 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)NCC1(CS(C)(=O)=O)CC1 331804455 UAYZVUCPFUSSGA-JTQLQIEISA-N 323.440 -0.263 30 20 DBED Cc1c([C@H](C)NS(=O)(=O)N2CCO[C@@H](C#N)C2)cnn1C 336903149 CQKAVPRTTVTQQG-ONGXEEELSA-N 313.383 -0.152 30 20 DBED CCN(CCC#N)S(=O)(=O)NC[C@@H](CO)[C@@H]1CCOC1 337145170 DPWVXUGMOQLVBM-NEPJUHHUSA-N 305.400 -0.299 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CC(=O)N(CCOC)C1 337990269 KBJWLEXBZJKJCY-UHFFFAOYSA-N 304.372 -0.785 30 20 DBED C[C@H](CNC(=O)CNc1ccc(C#N)cn1)CN1CCOCC1 345336588 PVVUOVMIVYBKIO-CYBMUJFWSA-N 317.393 0.450 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)c2cccn(C)c2=O)CC1 354067571 CRFVDOMDEWSJLG-UHFFFAOYSA-N 318.377 -0.555 30 20 DBED C=CCNC(=O)NC(=O)CN1C[C@H](N2CCOCC2)C[C@H]1C 367575572 NBFFWDHXGGNQGK-CHWSQXEVSA-N 310.398 -0.207 30 20 DBED N#Cc1cc(F)ccc1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)O 370420535 JRRDKXHKYUKLAV-UWVGGRQHSA-N 314.294 -0.094 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2CCN[C@@H](C)C2)C1=O 423491908 KSBLQFMSWPTTRO-NWDGAFQWSA-N 308.382 -0.948 30 20 DBED C=C[C@@H]1CCCCN1C(=O)C(=O)Nc1cnn(CC(N)=O)c1 427722912 WEAZHVGXEJNGQQ-LLVKDONJSA-N 305.338 -0.126 30 20 DBED C=C(C)CS(=O)(=O)N[C@@H]1CCN(CCC(=O)OC)C1=O 435448523 XIHZVGDAUNPJLN-SNVBAGLBSA-N 304.368 -0.354 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)Cc2cc(C)[nH]n2)CC1 491230203 LCTBVSLIQFCBPC-UHFFFAOYSA-N 303.366 -0.846 30 20 DBED C#CCNS(=O)(=O)c1ccc(C(=O)NCC#CCO)cc1 491819024 RVYMLGGOXYVYIJ-UHFFFAOYSA-N 306.343 -0.676 30 20 DBED COC(=O)[C@@H]1CNC(=O)CN1Cc1cnc2c(C#N)cnn2c1 573802634 QZYLIQWTXYKWHY-NSHDSACASA-N 314.305 -0.926 30 20 DBED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCCNCC2)cc1 582606630 SYODBDNHOMWTPJ-UHFFFAOYSA-N 322.390 -0.342 30 20 DBED C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)N1CCN(CCC#N)CC1 602204629 SHKQRSGDVYSSQG-WCQYABFASA-N 308.382 -0.680 30 20 DBED C=C[C@@H]1OCC[C@H]1NC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1 615847689 HDEJEJDKRGBNCG-MXWKQRLJSA-N 303.384 -0.638 30 20 DBED N#CCc1cccc(S(=O)(=O)N2CCO[C@H](C(N)=O)C2)c1 619480283 ZBNYTWFWOIXQAX-LBPRGKRZSA-N 309.347 -0.373 30 20 DBED CNC(=O)[C@@H](C#N)C(=O)[C@@H](C)N1C(=O)NC2(CCCC2)C1=O 726731895 PJFKJKTTWSJMLJ-BDAKNGLRSA-N 306.322 -0.306 30 20 DBED C#CCN1CCN(C(=O)c2ccc(OCC(N)=O)cc2)CC1 733162091 RGUOBRHPXZMSIA-UHFFFAOYSA-N 301.346 -0.058 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC2CCC(C)(O)CC2)C1=O 749455111 KMUBWNKBEIBGSZ-UHFFFAOYSA-N 323.349 -0.227 30 20 DBED Cc1nonc1C(=O)NCC#CCNC(=O)c1nonc1C 753970371 DNKHWPNHGOGQGE-UHFFFAOYSA-N 304.266 -0.767 30 20 DBED Cc1c(C#N)cccc1NC(=O)C(=O)NCCS(C)(=O)=O 770275792 WZCTWCCAORKSFQ-UHFFFAOYSA-N 309.347 -0.034 30 20 DBED CC(=O)N1CC[C@@](C)(C(=O)NS(=O)(=O)CCCC#N)C1 776122618 SILVSDJTIHLXHH-GFCCVEGCSA-N 301.368 -0.005 30 20 DBED C#C[C@@H](NC(=O)N1CCCS(=O)(=O)CC1)[C@H]1CCCO1 776226672 HDHZRGIKPCJSFI-VXGBXAGGSA-N 300.380 -0.003 30 20 DBED CCC[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1cnn(CC#N)c1 785082242 YCPPWPVKUGRIBP-NSHDSACASA-N 318.337 -0.528 30 20 DBED CC(C)(C#N)CS(=O)(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 790041851 JTRBUIZSWHOOQE-JTQLQIEISA-N 323.440 -0.263 30 20 DBED C#CCC[C@H](O)CNS(=O)(=O)c1cccc(-n2cnnn2)c1 798486068 MTUSTWBCNLQWOM-LBPRGKRZSA-N 321.362 -0.285 30 20 DBED CC#CC(=O)NCC(=O)Nc1cccc(S(=O)(=O)NC)c1 801151238 NJBPHIAGTFAORM-UHFFFAOYSA-N 309.347 -0.327 30 20 DBED C#C[C@@H](NC(=O)C(=O)N1CCn2nc(C)nc2C1)[C@@H]1CCCO1 809308363 KRFAFGYTEGWRFM-NEPJUHHUSA-N 317.349 -0.774 30 20 DBED CC#CCS(=O)(=O)NC(=O)c1ccc(=O)n(CCOC)c1 810778668 IPPUQLKCIZVOCL-UHFFFAOYSA-N 312.347 -0.422 30 20 DBED Cn1cnn(CCC(=O)OCC(=O)N[C@@](C)(C#N)C2CC2)c1=O 815269110 QSIUFALGILIKET-AWEZNQCLSA-N 321.337 -0.676 30 20 DBED CC[C@@H]1CN(C)CCN1C(=O)C(=O)Nc1cnn(CC#N)c1 815871863 WZIBNEQJXCLCHX-GFCCVEGCSA-N 304.354 -0.102 30 20 DBED C[C@H](OC(=O)[C@@](C)(C#N)CC(=O)O)C(=O)NC(=O)NC1CC1 820161046 LTZHLMKXAXZJCZ-WPPNPWJKSA-N 311.294 -0.089 30 20 DBED C=CCNC(=O)NC(=O)Cn1nc(C(=O)OC)cc1C(=O)O 833376873 SRRPINHGDGBDBG-UHFFFAOYSA-N 310.266 -0.620 30 20 DBED C=CCNC(=O)NC(=O)CN1CCC(N2CCOC2=O)CC1 852724233 RCJBDKRHPYEGRH-UHFFFAOYSA-N 310.354 -0.085 30 20 DBED C#CCCS(=O)(=O)NC(=O)C1(CC(=O)O)CCOCC1 863960572 VHIVGIYDASKXPM-UHFFFAOYSA-N 303.336 -0.273 30 20 DBED N#CCOC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 914979543 SYMBXXVCZRTYOT-UHFFFAOYSA-N 300.292 -0.019 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)c1cc(S(=O)(=O)NC)c[nH]1 915242612 PSZSTONLYNLDDD-QMMMGPOBSA-N 313.335 -0.783 30 20 DBED Cn1cc(C(=O)NCCNc2ccc(C#N)cn2)c(O)nc1=O 917099309 RSMLGBQMEDVLHP-UHFFFAOYSA-N 314.305 -0.406 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)CCCn2cncn2)CC1 918690623 ZWUWKTHMPMVQIY-UHFFFAOYSA-N 320.397 -0.495 30 20 DBED CC1(C)CNC(=O)[C@H]1NCC#CCN[C@H]1C(=O)NCC1(C)C 931657648 VPVHTRZIXINGRC-TXEJJXNPSA-N 306.410 -0.782 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)c2ccnc3[nH]nnc23)C1 938358017 HECXUSVNTCLBOG-IUCAKERBSA-N 313.321 -0.157 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@@H](N(C)C(=O)Cn2ncnn2)C1 939008989 SMLUCKOOMMRZTG-LLVKDONJSA-N 306.370 -0.055 30 20 DBED COc1c(C(=O)N[C@@H]2CCN(C(=O)[C@H](C)C#N)C2)cnn1C 941942254 MMDWIKFRWUKPSU-NXEZZACHSA-N 305.338 -0.081 30 20 DBED CC#CCN1CC[C@@H](NC(=O)C2CC(=O)NC(=O)C2)[C@H](C)C1 943547457 HVTQXHKYQZKWKD-DGCLKSJQSA-N 305.378 -0.111 30 20 DBED C#CCN1CC[C@@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)[C@@H](C)C1 944651078 CVRFYXSVQSPWDT-NWDGAFQWSA-N 320.393 -0.223 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]1CNC(=O)c1cn(C)c(=O)cn1 951487170 AWORVGSOXJTETH-UWVGGRQHSA-N 303.322 -0.729 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(C)(NC(=O)[C@H]2C[C@H]2C(N)=O)CC1 956499400 JIWPRTXXGDESPW-AXFHLTTASA-N 306.366 -0.235 30 20 DBED C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1CNC(=O)c1c[nH]c(C#N)c1 959575102 FWVYEPKMAJSCBR-PSASIEDQSA-N 303.322 -0.804 30 20 DBED O=C(N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O)c1cncnc1 962419846 GXXUUTVYCCIJML-OLZOCXBDSA-N 300.318 -0.809 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(C[C@H](NC(=O)Cc3ncc[nH]3)CO2)C1 965785482 LVYLDRQPPCYAGZ-QWRGUYRKSA-N 317.349 -0.402 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)CC(N)=O 968714821 RHQXGZRPSMUSEB-XQHKEYJVSA-N 321.377 -0.345 30 20 DBED C[C@@H](C(=O)N1C[C@H]2CC[C@H]1CN2CC#N)N1C(=O)CCC1=O 971449360 YKDOWBJHVRFZDC-TUAOUCFPSA-N 304.350 -0.277 30 20 DBED C#CCCN1CCO[C@]2(CCN(C(=O)CCn3cncn3)C2)C1 972260501 AJNJTJNATNFWMR-MRXNPFEDSA-N 317.393 -0.005 30 20 DBED C=C(C)CN1CCO[C@@]2(CCN(C(=O)[C@H]3COC(=O)N3)C2)C1 972358854 UJOIMVWWZHSACH-DOMZBBRYSA-N 309.366 -0.026 30 20 DBED C=CCN1CCO[C@@]2(CCN(C(=O)CCn3cnnn3)C2)C1 972610978 BVBOBYVKSTXXKK-AWEZNQCLSA-N 306.370 -0.448 30 20 DBED C=CCN1C[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)C(C)(C)C1 977566587 LNZNDPAYYLLNRM-LLVKDONJSA-N 308.382 -0.107 30 20 DBED CC#CCN1C[C@H](NC(=O)C[C@@H]2CC(=O)NC2=O)C(C)(C)C1 977677762 IANVFNXWCJUGRX-NEPJUHHUSA-N 305.378 -0.111 30 20 DBED C[C@H]1[C@H](NCc2nnnn2C)CCN1C(=O)c1ccc(C#N)[nH]1 986189625 XEYDPYGRXCWMRC-GXSJLCMTSA-N 314.353 -0.197 30 20 DBED C[C@@H]1[C@@H](NC(=O)CN2CCOCC2)CCN1C(=O)C#CC1CC1 987632226 RPQNGUODIZONCX-HIFRSBDPSA-N 319.405 -0.162 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC(NC(=O)[C@@H]3CCNC(=O)C3)C2)c1 990800498 ZQHLMRGYWQUYTK-SNVBAGLBSA-N 315.333 -0.647 30 20 DBED C=CCn1cc(C(=O)NC2CN(C(=O)Cn3ccnc3)C2)nn1 991688233 NIHGWGXODPQFJU-UHFFFAOYSA-N 315.337 -0.699 30 20 DBED C=CCN[C@H]1CCCN(C(=O)CN2CCCS2(=O)=O)C1 999309568 UUURWHJOXVWOEK-LBPRGKRZSA-N 301.412 -0.212 30 20 DBED C[C@@H](C(=O)N(C)C1CCN(CC#N)CC1)N1C(=O)CCC1=O 1005475099 KYKGBWFMRKZXRA-NSHDSACASA-N 306.366 -0.030 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C(=O)CCc2cn(C)nn2)CC1 1011345078 DWUKSQGKUXZWCK-LLVKDONJSA-N 304.354 -0.422 30 20 DBED C#CCN1CC[C@H](NC(=O)c2ccc(=O)n(CCOC)n2)C1 1015178473 RCVZGEJTMWITJB-LBPRGKRZSA-N 304.350 -0.673 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCN(C(=O)[C@@H]3COCCN3C)C2)C1 1019363086 MAPDOUHWNSLERD-OLZOCXBDSA-N 320.393 -0.462 30 20 DBED Cc1ccncc1C(=O)N[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1O 1023273444 KXCRQULQVRZCEQ-RAIGVLPGSA-N 302.334 -0.149 30 20 DBED C=C[C@@](C)(CC)C(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2nccn2)C1 1023898795 ZYIGADZQBPLELI-JMSVASOKSA-N 321.381 -0.432 30 20 DBED N#Cc1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC34CC4)C2)[nH]1 1025788642 RQNCNSYIULNWDD-CYZMBNFOSA-N 314.345 -0.012 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[C@H](NCC(N)=O)CC1 1034663733 KDQADYLBRZEURS-IHRRRGAJSA-N 306.410 -0.414 30 20 DBED C#CCCN1CCO[C@H](CNC(=O)c2cnc3[nH]nnc3c2)C1 1035399782 WNKASLFWJJGOKU-GFCCVEGCSA-N 314.349 -0.193 30 20 DBED C#CCCN1CCO[C@H](CNC(=O)[C@H]2CN(C(C)C)CCO2)C1 1035484066 WSCWGZGGTQKJNS-HZPDHXFCSA-N 323.437 -0.064 30 20 DBED C=CCN1CC2(CCN(C(=O)Cn3c(O)nnc3O)CC2)C1 1035844376 RBJIPKWHIWXVSP-UHFFFAOYSA-N 307.354 -0.200 30 20 DBED C=CCCn1cc(C(=O)NC[C@H]2CCN2CC(=O)N(C)C)nn1 1038790185 OTVILVMPJQKSHF-GFCCVEGCSA-N 320.397 -0.254 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@@](O)(CNC(=O)c2ncc[nH]2)C1 1039662125 MJHFRJVNKQDUCI-XHDPSFHLSA-N 320.349 -0.859 30 20 DBED CC(C)N(C)CC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H](C)C#N)C1 1040098686 CUEQUUKSGMHJGS-WFASDCNBSA-N 310.398 -0.434 30 20 DBED C[C@H]1[C@@H](Nc2nccnc2C#N)CCN1C(=O)c1nnn(C)n1 1040218566 QIICXQOCCGIFCZ-IUCAKERBSA-N 313.325 -0.413 30 20 DBED CC(C)C#CC(=O)N1CC[C@@](O)(CNC(=O)[C@H](C)CC(N)=O)C1 1040474953 DEJSYLVVEGFKLQ-MLGOLLRUSA-N 323.393 -0.763 30 20 DBED C=CCCCC(=O)NC[C@@]1(O)CCN(C(=O)Cn2cncn2)C1 1040726553 GKXCJHVJEKHHGT-HNNXBMFYSA-N 321.381 -0.286 30 20 DBED C#CCCN1CC[C@]2(CCN(C(=O)Cn3cnnc3O)C2)C1 1041226457 AKPBVJJXBJTEGU-HNNXBMFYSA-N 303.366 -0.069 30 20 DBED CS[C@H](C)C(=O)N1CC(O)(CNC(=O)CSCC#N)C1 1041567958 CBJJRVNCFUQHMN-SECBINFHSA-N 317.436 -0.316 30 20 DBED N#Cc1c[nH]c(C(=O)NCC2(O)CN(C(=O)[C@H]3CCOC3)C2)c1 1042397484 NYAVLBUGTDGTNT-NSHDSACASA-N 318.333 -0.774 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)[C@H]2CCO[C@H]2C)C1 1042800029 ZKIGYACRRUCZPY-STQMWFEESA-N 308.378 -0.096 30 20 DBED C[C@@H]1CN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C[C@H]1N=c1cc[nH]c(C#N)n1 1043442832 YGPMEMDDEVZODM-OVKLUEDNSA-N 313.361 -0.079 30 20 DBED C=C(C)CN[C@H]1CCN(C(=O)CN2CCNC(=O)C2)[C@H](C)C1 1044703488 VEWUCCOMMGCMRL-KGLIPLIRSA-N 308.426 -0.037 30 20 DBED C#CCN[C@H]1CCN(C(=O)CN2C(=O)NC(=O)C2(C)C)[C@@H](C)C1 1044809155 OFVHTBOKBKMBDS-RYUDHWBXSA-N 320.393 -0.081 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(O)(CNC(=O)CCCF)C1 1044842505 UEMHMDAKKBONNK-CYBMUJFWSA-N 302.346 -0.247 30 20 DBED C=C[C@H](C(=O)N1CC(O)(CNC(=O)C(N)=O)C1)c1ccccc1 1045500502 UIJJHKQGHATGIW-LBPRGKRZSA-N 317.345 -0.869 30 20 DBED C=CCN1CC[C@@H](N2CCN(C(=O)[C@@H]3COCCO3)CC2)C1 1046005973 CPDZEFGFIPAKPP-CABCVRRESA-N 309.410 -0.194 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCNC2=O)C1 1047417064 MAKPBEREESQBOR-SRVKXCTJSA-N 315.801 -0.231 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cn(C)c(C)cc2=O)C1 1047419076 NWDUKZDZZPCGDY-HOCLYGCPSA-N 317.389 -0.166 30 20 DBED CC(C)OCCC(=O)N(C)[C@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1O 1048327955 SRNRWRXPWQINDR-AVGNSLFASA-N 311.382 -0.009 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cncnc2)C1 1048718628 VUPMARZGDMLCJE-KBPBESRZSA-N 316.361 -0.220 30 20 DBED C=CCCN1C[C@H]2CN(C(=O)CN3CC(=O)N(C)C3=O)C[C@H]2C1 1049169788 UUUQDFABSQSMQU-BETUJISGSA-N 320.393 -0.153 30 20 DBED C[C@H](NC(=O)CSCC#N)[C@H]1CCN(C(=O)CC(N)=O)C1 1050358032 ONVWLOFONRVMCW-UWVGGRQHSA-N 312.395 -0.528 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)c1cnn(CCN(C)C)c1 1051159893 NRSOIJRPIALKCW-OAHLLOKOSA-N 319.409 -0.492 30 20 DBED N#CCN1CCOC[C@H]1CNC(=O)c1cccc(C(N)=O)n1 1051262463 AJWYEXHNNNVHNX-SNVBAGLBSA-N 303.322 -0.865 30 20 DBED CN1CC[C@H](NC[C@@H]2CN(C(=O)C#CC3CC3)CCO2)C1=O 1051609292 QVAPLVHRTOOAGC-KGLIPLIRSA-N 305.378 -0.553 30 20 DBED C#CCN1CC2(CC[C@@H](CNC(=O)[C@H]3CN(C)C[C@@H](C)O3)O2)C1 1053617592 BQQOJMCOIRDEMM-QLFBSQMISA-N 321.421 -0.312 30 20 DBED CN1CC[C@@H](C(=O)NC[C@H]2CCC3(CN(CC#N)C3)O2)C1=O 1053642750 JJPAHFYAFQLCRK-NEPJUHHUSA-N 306.366 -0.662 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)c3ccc4nncn4c3)CO2)C1 1053954470 BATXZEHJMZQWQX-LBPRGKRZSA-N 312.333 -0.174 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)c3cc(C(N)=O)c[nH]3)CO2)C1 1053965998 CPRSKGGUBBAFMO-GFCCVEGCSA-N 316.361 -0.290 30 20 DBED C[C@@H](C#N)C(=O)N[C@@]1(CO)CCCN(C(=O)c2nc[nH]n2)C1 1056097982 YAPZPFDCEVGFOW-ZANVPECISA-N 306.326 -0.952 30 20 DBED Cn1ncc(C(=O)N[C@H]2[C@@H]3CN(c4ccnc(C#N)n4)C[C@@H]32)n1 1056256744 NMTYCTKXSFVFPT-WOFXILAISA-N 310.321 -0.659 30 20 DBED Cc1nn[nH]c1C(=O)NC1[C@H]2CN(c3cnc(C#N)cn3)C[C@H]12 1056362020 KEAGPFIRYSSLFW-UWVGGRQHSA-N 310.321 -0.361 30 20 DBED CN(c1ccc(C#N)nn1)[C@H]1CCN(C(=O)Cc2nc[nH]n2)C1 1056964755 UURIMZPLPSUHJB-NSHDSACASA-N 312.337 -0.254 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)CCCOCC 1057063934 OCYLGAADJLNNIV-UHFFFAOYSA-N 316.398 -0.057 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)c1cnn(C)n1 1057439559 RREXDBUMWILVFJ-UHFFFAOYSA-N 307.354 -0.831 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)[C@H]1CN(C)C[C@H]1C 1057524909 WKBHBLVJVBUNTQ-CABCVRRESA-N 323.437 -0.219 30 20 DBED Cc1[nH]nc(C(=O)NCCN(CCO)C(=O)C#CC2CC2)c1C 1057531538 SQUGIRPMKLAXNH-UHFFFAOYSA-N 318.377 -0.009 30 20 DBED C=CC(C)(C)CC(=O)N(CCO)CCNC(=O)Cn1nccn1 1057695170 YIOBSFAEMXSKEY-UHFFFAOYSA-N 323.397 -0.183 30 20 DBED CCN1CCCC[C@@H]1C(=O)N(CCO)CCNC(=O)[C@H](C)C#N 1057864270 JUHGFKPNYMYAOS-ZIAGYGMSSA-N 324.425 -0.042 30 20 DBED C[C@@H]1C[C@@H](C(=O)N(CCO)CCNC(=O)C#CC2CC2)CO1 1057949698 YJWCZGIJSKFIET-TZMCWYRMSA-N 308.378 -0.238 30 20 DBED N#Cc1ccc(N2CCC[C@H](NC(=O)[C@H]3CCC(=O)N3)C2)nn1 1058127312 PDFRBLTUWHYUNZ-NWDGAFQWSA-N 314.349 -0.288 30 20 DBED Cn1nncc1C(=O)N[C@@H]1CCCN(c2ccnc(C#N)n2)C1 1058151947 HHLOMKWLQLBMSP-SNVBAGLBSA-N 312.337 -0.124 30 20 DBED CC#CCCCC(=O)N(CCO)CCNC(=O)c1cnn(C)n1 1058445969 JXPHONJGLJLKMT-UHFFFAOYSA-N 321.381 -0.441 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)[C@@H](C1CC1)N(C)C 1058659423 YUOLQAQCLDCKGJ-DGCLKSJQSA-N 310.398 -0.577 30 20 DBED C=C[C@](C)(CC)C(=O)N(CCO)CCNC(=O)CNC(C)=O 1058728400 SLDWMUSCAOYWPD-OAHLLOKOSA-N 313.398 -0.338 30 20 DBED N#Cc1cc(C(=O)NC2(CNC(=O)CNC(N)=O)CCC2)c[nH]1 1062489534 HDZAQUUDNCLEKS-UHFFFAOYSA-N 318.337 -0.677 30 20 DBED CN(C(=O)Cn1cnnn1)[C@@H]1CCN(c2cncc(C#N)n2)C1 1062882642 ATWFGLOWXPGOTB-LLVKDONJSA-N 313.325 -0.928 30 20 DBED C=CCOCC(=O)N1CCC[C@@H](NC(=O)[C@@H]2CCC(=O)N2)CC1 1066352751 YZUNDEBPVAJAQJ-OLZOCXBDSA-N 323.393 -0.035 30 20 DBED CN(C(=O)C(N)=O)[C@@H]1CCCN(c2cncc(C#N)n2)CC1 1067607852 IGIOLWLWGJRGLG-LLVKDONJSA-N 302.338 -0.349 30 20 DBED N#Cc1nccnc1NCC1CC(NC(=O)Cn2nccn2)C1 1067868560 MUPVKDVGEWRJBJ-UHFFFAOYSA-N 312.337 -0.053 30 20 DBED N#Cc1nc(=NC[C@H]2C[C@H](NC(=O)Cn3ccnc3)C2)cc[nH]1 1068500449 AUKOLOYCGPKUPS-HAQNSBGRSA-N 311.349 -0.026 30 20 DBED C=CCOCC(=O)N[C@H]1COC2(C1)CN(C(=O)CCOC)C2 1068764339 OKPKSIATTJWBEW-GFCCVEGCSA-N 312.366 -0.288 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1COC2(C1)CN(C(=O)c1cnn[nH]1)C2 1069009193 XTRYCGNQHHNJRQ-DTWKUNHWSA-N 304.310 -0.936 30 20 DBED CCn1ccnc1C(=O)N1CCC(=O)NCCN(CC#N)CC1 1070958788 STIISZIMOPHUGF-UHFFFAOYSA-N 318.381 -0.309 30 20 DBED C[C@@H]1CN(C(=O)CCn2ccnn2)C[C@@]2(CCN(CC#N)C2)O1 1071159674 PMBVQXSPHOJELN-HIFRSBDPSA-N 318.381 -0.116 30 20 DBED C#CCOCCC(=O)N[C@H]1CN(C(=O)CC(=O)N(C)C)C[C@H]1C 1072128961 KORKNGTYKVHOPZ-OLZOCXBDSA-N 323.393 -0.532 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC2(CCN(C[C@H](C)O)C2)C1 1072822401 FKAXJSQESZUCFW-GJZGRUSLSA-N 305.422 -0.001 30 20 DBED C=CCOCC(=O)N1CC[C@@H](NC(=O)Cn2nccn2)[C@@H](C)C1 1073983014 LODGYPBAZFUCDW-QWHCGFSZSA-N 321.381 -0.166 30 20 DBED Cn1cc(C(=O)N2CC[C@H]3OCCN(CC#N)[C@@H]3C2)n(C)c1=O 1074415277 NXXTXZKAWJXFIF-DGCLKSJQSA-N 319.365 -0.837 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]2CN(CCN3CCNC3=O)C[C@H]21 1075616412 SDNPWLWOTJZYBZ-FRRDWIJNSA-N 305.382 -0.296 30 20 DBED C[C@@H](CCNC(=O)c1c[nH]c(C#N)c1)NC(=O)[C@H](C)NC(N)=O 1076215441 HFZNSIOFJXFMSJ-IUCAKERBSA-N 320.353 -0.432 30 20 DBED C[C@@H](CCNC(=O)C#CC1CC1)NC(=O)[C@H]1CCN(C)C1=O 1076432439 QEMKMFGGTMIYNV-WCQYABFASA-N 305.378 -0.111 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H](C)CCNC(=O)CCNC(N)=O 1076450034 JTTKKEXBEFKZDJ-IINYFYTJSA-N 314.386 -0.617 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)c2cn(C)nc2COC)C1 1077255585 HTGXRCRNKMKVJJ-TZMCWYRMSA-N 308.382 -0.083 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2c[nH]nc2[C@H]2CCCO2)C1 1077560690 CAZPWIMFFKNCAQ-IJLUTSLNSA-N 305.338 -0.440 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 1077680525 LGYSYFKEDQTGEF-XJKCOSOUSA-N 311.401 -0.007 30 20 DBED C[C@@H](CCNC(=O)[C@@H]1CCN(C)C1=O)NC(=O)C#CC1CC1 1077907538 ATZSMWSBXJTATD-AAEUAGOBSA-N 305.378 -0.111 30 20 DBED CCN(C(=O)C(C)(C)NC(=O)NC)C1CN(C(=O)[C@H](C)C#N)C1 1079925722 QFIIAAKNICFWEW-SNVBAGLBSA-N 323.397 -0.087 30 20 DBED C=CCOCC(=O)N1CCC(CO)(NC(=O)c2cnco2)CC1 1080921941 IDEVCKSRDLNXBH-UHFFFAOYSA-N 323.349 -0.040 30 20 DBED N#CCSCC(=O)NC[C@H]1CN(C(=O)CCCF)C[C@H]1O 1081289313 KNQQYHUYRWLHHM-WDEREUQCSA-N 317.386 -0.072 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)COCC)C[C@@H]1O 1081343942 JVEDHOYWNNVDMA-RYUDHWBXSA-N 300.355 -0.839 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)c2ncccn2)C[C@@H]1O 1081463170 KCJKBHQDVNABQE-STQMWFEESA-N 316.361 -0.315 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1O 1081463360 MCSACYLIILFZKX-NWDGAFQWSA-N 319.365 -0.976 30 20 DBED C=CCC1(C(=O)NC[C@@H]2CN(C(=O)CC(N)=O)C[C@H]2O)CCC1 1081742282 RRJVYJHVIUFUGO-VXGBXAGGSA-N 323.393 -0.456 30 20 DBED C=CCN1C[C@@H](NC(=O)[C@H]2CCc3nncn3C2)[C@H](OC)C1 1082382370 APFWVUPQGVRCIF-YNEHKIRRSA-N 305.382 -0.158 30 20 DBED CC(C)Oc1cnc(C(=O)N[C@@H]2CN(CC#N)C[C@@H]2O)cn1 1083460583 NOKAFOXSQHQYDJ-NEPJUHHUSA-N 305.338 -0.438 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCCN(C(=O)CC)C2)C1 1083483604 AODBWWNZTLGBMM-ZNMIVQPWSA-N 321.421 -0.180 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCCN2c2ncccn2)C1 1083539334 RLMCMPCTBIRXPV-AGIUHOORSA-N 316.365 -0.870 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN([C@@H](C)C(N)=O)C[C@@H]2O)cc1 1083691297 INPSSMGEVMSABX-GDLCADMTSA-N 301.346 -0.683 30 20 DBED CCn1nnc2cc(C(=O)N[C@@H]3CN(CC#N)C[C@@H]3O)ccc21 1084047421 CGCDEKWAGSYAHI-OCCSQVGLSA-N 314.349 -0.250 30 20 DBED CS(=O)(=O)CCN1CC[C@@H]2CN(C(=O)C#CC3CC3)[C@@H]2C1 1084333945 IHFMCYGPEDKGMO-ZIAGYGMSSA-N 310.419 -0.023 30 20 DBED CCN(c1cncc(C#N)n1)[C@H](C)CNC(=O)[C@H]1CCC(=O)N1 1089619830 DOFBVLXSZKUIOI-ZYHUDNBSSA-N 316.365 -0.042 30 20 DBED CN(C)c1ncccc1C(=O)N[C@@H]1CCN(CC#N)C[C@@H]1O 1090804160 GDARFJHOJHNQOG-OLZOCXBDSA-N 303.366 -0.164 30 20 DBED N#CCNC1CC(CNC(=O)c2ccc(S(N)(=O)=O)o2)C1 1091119228 UAXITEVSENADPH-UHFFFAOYSA-N 312.351 -0.451 30 20 DBED CNC(=O)CC(=O)NC[C@H]1C[C@@H](N=c2cc[nH]cc2C#N)C1 1091340540 SMQQIMJEQNXKNM-KLPPZKSPSA-N 301.350 -0.182 30 20 DBED Cn1cc(C(=O)N2C[C@H]3CN(CC#N)C[C@@]3(C)C2)ncc1=O 1091867801 ADJWBYDEKJDZSB-ABAIWWIYSA-N 301.350 -0.302 30 20 DBED C[C@H](CC(N)=O)C(=O)N[C@H]1CCN(c2cncc(C#N)n2)[C@@H]1C 1092033836 PKJSUHOQHIWVLH-FOGDFJRCSA-N 316.365 -0.057 30 20 DBED C[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1CCNC(=O)C(N)=O 1092575588 DEKUCKPVQCJGKJ-NXEZZACHSA-N 302.338 -0.588 30 20 DBED CN1C[C@H](C(=O)NCCNc2cnc(C#N)cn2)CCC1=O 1093680156 QHUOABKVJJSAJE-SNVBAGLBSA-N 302.338 -0.255 30 20 DBED CS(=O)(=O)C1(C(=O)NCCNc2cncc(C#N)n2)CCC1 1093827073 NKIZSQMBASOXST-UHFFFAOYSA-N 323.378 -0.156 30 20 DBED Cn1ccnc1COCC(=O)NCCNc1nccnc1C#N 1093961410 YPTZNZBKXQBILJ-UHFFFAOYSA-N 315.337 -0.173 30 20 DBED CC(C)N1CCO[C@@H](C(=O)NCCNc2nccnc2C#N)C1 1094082882 IKPFSUQKHIWUSN-CYBMUJFWSA-N 318.381 -0.014 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)C3=COCCC3)CC2=O)C1 1094712381 WQZCXGKVMHUEER-CYBMUJFWSA-N 303.362 -0.285 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)C[C@@H]3COC(=O)C3)CC2=O)C1 1094721587 GKYYGCTUKHVFHF-NWDGAFQWSA-N 321.377 -0.473 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)c3nccc(C)n3)CC2=O)C1 1094731536 NRKWYTAKABBHQQ-LBPRGKRZSA-N 313.361 -0.567 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CC(=O)N(C3CN(CC)C3)C2)nn1 1094791466 DYMUDLCKQRYSGR-NSHDSACASA-N 318.381 -0.501 30 20 DBED Cc1nc(CC(=O)NCCCN(C)c2nccnc2C#N)n[nH]1 1095549441 IZMGEWCXWRBOBG-UHFFFAOYSA-N 314.353 -0.040 30 20 DBED CC(=O)N[C@@H](C)C(=O)N[C@H]1CCN(c2ccc(C#N)nn2)C1 1096317732 YPKVLIOXPWOFCG-CABZTGNLSA-N 302.338 -0.432 30 20 DBED C[C@H](C(=O)N[C@@H]1CCN(c2ccc(C#N)nn2)C1)S(C)(=O)=O 1096502932 XWGHBRZUALRFSI-MWLCHTKSSA-N 323.378 -0.524 30 20 DBED C[C@H](CNC(=O)CCn1cncn1)Nc1cnc(C#N)cn1 1097655899 YMTKPDNFFGLBIZ-SNVBAGLBSA-N 300.326 -0.053 30 20 DBED CC[C@@]1(C(=O)NC[C@H](C)N=c2cc[nH]c(C#N)n2)CCNC1=O 1098369822 JIGGNJVEHWSWJG-ZUZCIYMTSA-N 316.365 -0.397 30 20 DBED C[C@H](CNC(=O)[C@@H](C)S(C)(=O)=O)N=c1cc[nH]c(C#N)n1 1098393215 SCQNTKFMNWVOFC-RKDXNWHRSA-N 311.367 -0.880 30 20 DBED Cc1nc(O)[nH]c1C(=O)N1CCC(N(CC#N)CCO)CC1 1098399234 FGLPEKGZNRWHFH-UHFFFAOYSA-N 307.354 -0.154 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](CNc2ncccn2)C1 1098524331 SIYFXFKPWWUXOC-LBPRGKRZSA-N 301.350 -0.124 30 20 DBED C=CCNCc1cn([C@@H]2CCN(C(=O)CC(=O)NC)C2)nn1 1098664446 OAILBAAQKKNFBM-GFCCVEGCSA-N 306.370 -0.537 30 20 DBED C#CCN1C[C@@H](NC(=O)CCNC(N)=O)CC2(CCOCC2)C1 1099597022 QPROMHJNNQDSCV-ZDUSSCGKSA-N 322.409 -0.335 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)C2=COCCC2)[C@H](O)C1 1099726931 LGHWGYRXPSZYOP-HUUCEWRRSA-N 308.378 -0.118 30 20 DBED CO[C@@H](C(=O)NCCN(C)c1nccnc1C#N)[C@@H]1CCOC1 1100250926 UKTIBBHVQTYFGV-DGCLKSJQSA-N 319.365 -0.048 30 20 DBED CN(CCNC(=O)[C@H]1CC[C@H]1C(N)=O)c1nccnc1C#N 1100268636 DWJMSATYTTVDSW-ZJUUUORDSA-N 302.338 -0.588 30 20 DBED C[C@@H](C(=O)NCCN(C)c1ccncc1C#N)S(C)(=O)=O 1100394006 GYCJENFZCPRWED-JTQLQIEISA-N 310.379 -0.061 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCC1CC(NCC(=O)NCC)C1 1100415155 AUVJKEQPVZYPQQ-NRXISQOPSA-N 320.437 -0.296 30 20 DBED C=CCNC(=O)CNC1CC(CNC(=O)[C@@H]2CCCNC2=O)C1 1100427938 PMUQVHSQMJWQGL-WXRRBKDZSA-N 322.409 -0.701 30 20 DBED CCN(CCNC(=O)CN1CCCC1=O)c1ccnc(C#N)n1 1100440738 KAMDWAKIVHBZAW-UHFFFAOYSA-N 316.365 -0.087 30 20 DBED C=CCNC(=O)[C@@H](C)NC1CC(CNC(=O)c2nc[nH]n2)C1 1100767821 FOBLQTAPSGYUIL-KPPDAEKUSA-N 306.370 -0.407 30 20 DBED C[C@H](NC(N)=O)C(=O)N1C[C@@H]2C[C@H]1CN2c1ncccc1C#N 1102548001 YYLROFQCCLPKFO-DLOVCJGASA-N 314.349 -0.200 30 20 DBED C#CCNC(=O)CC(=O)N(C)[C@@H]1CCN(c2ccnc(C)n2)C1 1102693820 NPGAYLSTGOOQMD-CYBMUJFWSA-N 315.377 -0.038 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(c2cnc(F)cn2)CCO1 1104330778 XINCSEWXBINTMA-GFCCVEGCSA-N 322.340 -0.023 30 20 DBED C[C@H](CN=c1cc[nH]cc1C#N)N(C)C(=O)[C@@H]1COC(=O)N1 1104546202 ZLRRUOWSSNOTLL-SKDRFNHKSA-N 303.322 -0.258 30 20 DBED C#CCNCc1cn(C2CN(C(=O)C3(F)CCOCC3)C2)nn1 1105253823 GMCGPAGKUFWDPN-UHFFFAOYSA-N 321.356 -0.097 30 20 DBED CC(=O)N[C@H](C)C(=O)N(C)CCN(C)c1nccnc1C#N 1105319591 RTEPBAAPNHXWDD-SNVBAGLBSA-N 304.354 -0.233 30 20 DBED COC(=O)NCC(=O)N(C)CCN(C)c1nccnc1C#N 1105355297 JAOWEVDLKRFVNA-UHFFFAOYSA-N 306.326 -0.401 30 20 DBED CN(CCN(C)c1cncc(C#N)n1)C(=O)c1cn(C)c(O)n1 1105555844 NUOCJNKCASFXIZ-UHFFFAOYSA-N 315.337 -0.004 30 20 DBED Cc1cc(C(=O)NC[C@H](O)CNc2nccnc2C#N)no1 1105710290 ZETNQCVQBLZPCN-SECBINFHSA-N 302.294 -0.153 30 20 DBED C=CCOCC(=O)NC[C@H](O)CNc1ncnc2c1ncn2C 1105747961 OLTLSXVYIPPJBU-JTQLQIEISA-N 320.353 -0.545 30 20 DBED Cc1nn(C)cc1C(=O)NC[C@@H](O)CNc1cnc(C#N)cn1 1105763722 MSQKKVOEGFLCFJ-NSHDSACASA-N 315.337 -0.407 30 20 DBED COC1CC(C(=O)NC[C@H](O)CNc2nccnc2C#N)C1 1105997354 POTDBLPXJXDJJO-HSOILSAZSA-N 305.338 -0.338 30 20 DBED CC[C@@H](NC(C)=O)C(=O)NC[C@H](O)CNc1cnc(C#N)cn1 1106124138 XEYYOTUMZYGSDR-VXGBXAGGSA-N 320.353 -0.848 30 20 DBED C[C@@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)c1cncnc1O 1106473006 VMLDBEIOHJDCEF-VIFPVBQESA-N 313.321 -0.114 30 20 DBED N#Cc1nc(=NC/C=C\CNC(=O)C[C@H]2COC(=O)C2)cc[nH]1 1107123506 AJCLEMKCGMSGMJ-RFMOXSJOSA-N 315.333 -0.192 30 20 DBED C[C@@H](CC(N)=O)C(=O)NC/C=C\CNc1cncc(C#N)n1 1107450196 BZZTYNXSNZESLS-ZMWSMAPVSA-N 302.338 -0.056 30 20 DBED C[C@H](CNc1ccc(C#N)cn1)NC(=O)C1CC(=O)NC(=O)C1 1107831391 YUQSJXCCXNGAQV-SECBINFHSA-N 315.333 -0.077 30 20 DBED COCC#CCN1CCO[C@](C)(CNC(=O)c2ncc[nH]2)C1 1107928164 AGEQXCHPCLLCHQ-OAHLLOKOSA-N 306.366 -0.120 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)[C@H](C)N2C(=O)CCC2=O)C1 1107983040 FVXYQTRBZCJCMJ-BLLLJJGKSA-N 321.377 -0.636 30 20 DBED CC(=O)N1CCC[C@H]1C(=O)NC[C@@]1(C)CN(CC#N)CCO1 1108354090 YASHHWHJXYRGRM-ZFWWWQNUSA-N 308.382 -0.272 30 20 DBED C=CCCO[C@@H](C)C(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1 1108518026 RCOARLQLLCCDFB-QWHCGFSZSA-N 320.393 -0.108 30 20 DBED CN(C)CCCC(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1 1108566017 CLIWQRFAGGGUBN-GFCCVEGCSA-N 307.398 -0.747 30 20 DBED CO[C@@H](CC(C)C)C(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1 1108572075 LSPHYEWKMWQXOJ-OCCSQVGLSA-N 322.409 -0.028 30 20 DBED C[C@H](CN(C)c1ccc(C#N)nc1)NC(=O)CCNC(N)=O 1108961994 SPRBQNVHHGTCAM-SNVBAGLBSA-N 304.354 -0.047 30 20 DBED CCn1nncc1C(=O)N(C)CCCN=c1cc[nH]c(C#N)n1 1109428522 IVJIDGLTJWOTNP-UHFFFAOYSA-N 314.353 -0.044 30 20 DBED Cn1ncc(C(=O)N[C@@H](CN=c2cc[nH]c(C#N)n2)C2CC2)n1 1109872087 YHHACXFXGJQJAL-JTQLQIEISA-N 312.337 -0.481 30 20 DBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cn1ccnc1 1110196000 NWNWCMBKQZOCON-RDBSUJKOSA-N 317.393 -0.093 30 20 DBED C[C@@H](CC(N)=O)C(=O)NCC1(Nc2cncc(C#N)n2)CC1 1110298319 NPAAYECLXQPNAX-VIFPVBQESA-N 302.338 -0.080 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C1=CCOCC1 1110474436 DRTLGGGYFAEAFG-KFWWJZLASA-N 317.389 -0.196 30 20 DBED C#CCN(C(=O)C(N)=O)C1CCN(c2cncc(C#N)n2)CC1 1110628674 MDKRKAKMFJOREK-UHFFFAOYSA-N 312.333 -0.736 30 20 DBED Cc1nc(NCCN(CCO)C(=O)[C@@H](C)C#N)nc(N(C)C)n1 1111436233 XEYYHZZAQBCGCH-JTQLQIEISA-N 321.385 -0.362 30 20 DBED N#Cc1nc(=NCCN(CCO)C(=O)[C@H]2CCCOC2)cc[nH]1 1111437276 SFLCJECYEGSJDF-LBPRGKRZSA-N 319.365 -0.570 30 20 DBED N#Cc1nccnc1NCCN(CCO)C(=O)[C@@H]1CCOC1 1111445568 IGCZVOABPWCMGZ-LLVKDONJSA-N 305.338 -0.382 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(c2ncc(F)cn2)C[C@@H]1O 1112702412 RHBQOSOOEZPHGH-PWSUYJOCSA-N 310.329 -0.268 30 20 DBED C[C@H](Nc1ncccc1C#N)[C@@H](C)NC(=O)Cn1cnnn1 1112905763 QYZFVFFMDCBKSV-ZJUUUORDSA-N 300.326 -0.055 30 20 DBED C=CCN1CCN(C(=O)CCNC(=O)c2cnccn2)CC1 1113653150 VMWRKXALKSUTDP-UHFFFAOYSA-N 303.366 -0.073 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)COCCC)[C@@H]2C1 1113996106 OINFWSVSSQCFCP-YNEHKIRRSA-N 307.394 -0.403 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)C3=COCCC3)[C@H]2C1 1114002155 JJINXJROFOUFNF-NHAGDIPZSA-N 303.362 -0.524 30 20 DBED CCCNC(=O)NC(=O)CN1C[C@H]2C(NC(=O)[C@H](C)C#N)[C@@H]2C1 1114066754 HUQOHNWUSJMIHU-GMTAPVOTSA-N 321.381 -0.572 30 20 DBED C#CCCCC(=O)NC1[C@@H]2CN(CCN3C(=O)CCC3=O)C[C@@H]12 1114202016 YUMJOYPDHUJBGJ-CHWSQXEVSA-N 317.389 -0.015 30 20 DBED CC(C)(C)C#CC(=O)NC1[C@@H]2CN([C@H]3CCC(=O)NC3=O)C[C@@H]12 1114255322 GTXWWNFSZQWQML-UTUOFQBUSA-N 317.389 -0.113 30 20 DBED C=C(Cl)CN1C[C@H]2[C@H](NC(=O)CCNC(=O)COC)[C@H]2C1 1114368404 LGTJEYNGCBDXEQ-YABSGUDNSA-N 315.801 -0.062 30 20 DBED CN(C)[C@H](C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21)C1CC1 1114409072 GACBARPYRMGEIK-MXYBEHONSA-N 319.409 -0.987 30 20 DBED CCc1nc(C#N)cc(N2C[C@H]3[C@H](CNC(=O)C(N)=O)[C@H]3C2)n1 1114619846 DYZUMDWDGZWFHD-RTCCRHLQSA-N 314.349 -0.806 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H]1C[C@H](NC(=O)CNC(N)=O)C1 1114735755 FJHUECXHIJUMIK-HOMQSWHASA-N 302.338 -0.650 30 20 DBED Cc1nc(C)c(C(=O)NC2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]23)[nH]1 1114840283 JRXFBPUHQKUPPY-GHMZBOCLSA-N 316.365 -0.674 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@]3(C)CCOC3)[C@H]2C1 1115015553 GVDSCOGIVSRHHZ-TWJWRFFLSA-N 307.394 -0.238 30 20 DBED C[C@H](CN(C)C(=O)[C@H]1COCCN1C)N=c1cc[nH]cc1C#N 1115682532 QSWMDQSQZKVBGI-IUODEOHRSA-N 317.393 -0.035 30 20 DBED C=C[C@@H](COC)NC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 1116618858 FOTBKVTZQYCTLA-YQPPGCHHSA-N 308.334 -0.534 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1C[C@@H](C)[C@@H](C)C1 1117633629 FRYYXAININBHAH-PHIMTYICSA-N 302.396 -0.182 30 20 DBED C[C@H](O)[C@H]1CCN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1 1118949829 BVLOMULBSXCPGO-SGMGOOAPSA-N 320.393 -0.586 30 20 DBED C#CCN1CCC[C@H](NC(=O)N2CC[C@@H]3OCC(=O)N[C@H]3C2)C1 1119367367 SNYKCYDCFQEIMX-IHRRRGAJSA-N 320.393 -0.617 30 20 DBED N#Cc1c[nH]ccc1=N[C@H](CO)CNC(=O)Cn1cccn1 1121055666 OSWKSHGMWRMBRV-LBPRGKRZSA-N 300.322 -0.839 30 20 DBED C#CCOCCC(=O)NC1CC2(C1)CC(N[C@H]1CCNC1=O)C2 1121102240 AUTHSEZDPLEWLS-XJIRZWNVSA-N 319.405 -0.068 30 20 DBED CCC(=O)NCC(=O)NC[C@H](CO)Nc1nc(C)cc(C#N)n1 1121239858 DXYJMILKTWAKLC-LLVKDONJSA-N 320.353 -0.928 30 20 DBED C=CCO[C@H](C)C(=O)NC[C@@H](CO)Nc1cc(C)nc(CO)n1 1121749837 TVPSYHIIZUIAEU-NEPJUHHUSA-N 324.381 -0.243 30 20 DBED N#Cc1nc(=N[C@H](CO)CNC(=O)C2(C(F)F)CC2)cc[nH]1 1122059955 DPTKBKMNFOVWEH-QMMMGPOBSA-N 311.292 -0.296 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H](CO)CNC(=O)Cc1cnoc1 1122391094 MBFVWAUDLKARFU-GFCCVEGCSA-N 301.306 -0.505 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)c1ccoc1 1123509641 XARCAEMKONFXBT-JTQLQIEISA-N 308.338 -0.001 30 20 DBED COC[C@H](C)OC[C@H](O)CNCCNC(=O)CSCC#N 1123792556 ZDFORSXIRNFVSJ-NWDGAFQWSA-N 319.427 -0.639 30 20 DBED CN(C[C@H](O)CNc1snc(Cl)c1C#N)C(=O)C(N)=O 1124703953 JVZLECJEBDDWOO-RXMQYKEDSA-N 317.758 -0.615 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)[C@@]12COC[C@@H]1C2 1124822467 QRCMZNOTHQFANR-RWSFTLGLSA-N 317.349 -0.962 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)CCc2ncc[nH]2)C1=O 1126436451 AETNDLIUKNBJLW-LBPRGKRZSA-N 305.382 -0.165 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)c1cnnn1CC 1126726774 FZCBXZDTDZYKKD-UHFFFAOYSA-N 321.385 -0.620 30 20 DBED C[C@H](C#N)C(=O)N(C)CCOCCNc1nccn2nnnc12 1127258770 IKNRRKOFRIHLAY-SNVBAGLBSA-N 318.341 -0.434 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)CN(C)C1CCC1 1129526946 UHHPXHTZYJQKSW-UHFFFAOYSA-N 323.441 -0.061 30 20 DBED C=CCCC(=O)N1C[C@H](n2ccnn2)[C@H](NCCOCCO)C1 1129667229 RVIKWODMFDQLDU-KGLIPLIRSA-N 323.397 -0.405 30 20 DBED C=CCO[C@@H](C)C(=O)N1C[C@H](n2ccnn2)[C@H](NCCOC)C1 1130151452 RJWQSVHEFHYSCB-MJBXVCDLSA-N 323.397 -0.143 30 20 DBED C[C@H](CC(=O)N1C[C@@H]2C[C@@H]3CN(CC#N)C[C@]2(C1)O3)NC(N)=O 1131229915 CFGKARAZILWPPG-NWJSVONSSA-N 321.381 -0.741 30 20 DBED C[C@@H]1CC[C@@H](NC(=O)c2ccon2)CN1CC(=O)NCC#N 1131843060 DPSXWDXDLRJCAN-GHMZBOCLSA-N 305.338 -0.103 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)[C@@H](CCC)OC 1132289944 HHRMMFKTZFEYSY-LLVKDONJSA-N 314.386 -0.481 30 20 DBED C[C@H]1CCN(C(=O)c2cn[nH]c2)C[C@@H]1CNCC(=O)NCC#N 1132658512 GZQSXUZCRWVHMH-AAEUAGOBSA-N 318.381 -0.263 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)[C@H]1CC12CCC2 1134445391 XQIOHEGOALEMFW-LLVKDONJSA-N 308.382 -0.106 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)CCc1cnc[nH]1 1134546055 VKYZEEKUBFBLNQ-STQMWFEESA-N 319.409 -0.035 30 20 DBED C#CCCN[C@H](C)C[C@H](C)NC(=O)CNC(=O)CNC(C)=O 1134769038 IGXUIQQOLYJSQS-NEPJUHHUSA-N 310.398 -0.865 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)CCN1CCOCC1 1135341419 VSJHQMBOFBADNW-CYBMUJFWSA-N 312.414 -0.895 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)Cn1ccc(C)n1 1135493641 XBUMZLPHMXHYOR-KBPBESRZSA-N 319.409 -0.186 30 20 DBED C[C@@H](C[C@H](C)NC(=O)CCCN1C(=O)CNC1=O)NCC#N 1146216179 ISVDBZJYEVDPOJ-QWRGUYRKSA-N 309.370 -0.285 30 20 DBED C=CCOCCNCCNC(=O)CNC(=O)c1cscn1 1146918670 SOHAERIGPOGPJE-UHFFFAOYSA-N 312.395 -0.219 30 20 DBED COCC#CCN1CCC2(C1)CN(C(=O)[C@@H]1CC[C@H]1C(N)=O)C2 1148046260 XBKCTYNMIAYHAJ-ZIAGYGMSSA-N 319.405 -0.318 30 20 DBED CC#CCN1CCC2(C1)CN(C(=O)COCc1nncn1C)C2 1148524227 ATVCKIQWGDCSTB-UHFFFAOYSA-N 317.393 -0.111 30 20 DBED O=C(Cn1c(O)nnc1O)NCCNCC#Cc1ccccc1 1149141920 UVXVJJLVNQSAHM-UHFFFAOYSA-N 315.333 -0.553 30 20 DBED COCCC1(NC(=O)c2cn(C)nn2)CCN(CC#N)CC1 1151115407 TVGORZDQOVLQEZ-UHFFFAOYSA-N 306.370 -0.060 30 20 DBED CC#CCN1CCC(CCOC)(NC(=O)c2nnn(C)n2)CC1 1151241980 IGRSFECJBCVRGF-UHFFFAOYSA-N 320.397 -0.166 30 20 DBED N#CCNC(=O)CNCCNC(=O)[C@@H](F)Cc1ccccc1 1152048157 UMQMOEYHBLRZBC-ZDUSSCGKSA-N 306.341 -0.087 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)[C@@H]1[C@H]2COC[C@H]21 1154751020 JCXGVDIJXQGTKH-NMKXLXIOSA-N 308.382 -0.655 30 20 DBED C=CCNC(=O)NC(=O)CNCCCNC(=O)[C@H](C)COC 1155689147 GLCORRNMRVYWBD-LLVKDONJSA-N 314.386 -0.623 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)[C@H]2CN(C)CCO2)C1=O 1156146006 RSNAXHIRKNRBAD-UONOGXRCSA-N 324.425 -0.800 30 20 DBED C=CCNC(=O)CNCCCC[C@H](C)NC(=O)Cn1cncn1 1176475459 CUAXVSXEJJMOIK-ZDUSSCGKSA-N 322.413 -0.155 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)CCOCC#C)C1 1182522536 LMKWPSBKYFYSHM-ZIAGYGMSSA-N 305.378 -0.645 30 20 DBED C=CCCCN[C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 1182693570 XBYQSEPZCYLQJN-LLVKDONJSA-N 306.370 -0.466 30 20 DBED CCC(=O)NCC(=O)N1C[C@@H](CNCC#N)C2(CCOCC2)C1 1186309286 FNJZYVGCRHSFBD-CYBMUJFWSA-N 322.409 -0.119 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2cn(C)nc2Cl)C1 1187017799 BCZOLJYEWJLUJE-SNVBAGLBSA-N 323.784 -0.373 30 20 DBED C=CCCC(=O)N[C@@H]1CN(Cc2noc(CCOC)n2)C[C@H]1O 1191725020 ZRRHVJJYRKWIBH-VXGBXAGGSA-N 324.381 -0.114 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(Cc2nnnn2C(C)C)C[C@H]1O 1191807304 OGHCKALZOJSZPD-VXGBXAGGSA-N 324.385 -0.882 30 20 DBED CCN(C)CCC(=O)N1CC[C@@H](N(C)CC(=O)NCC#N)C1 1193291200 FWJGETVPFJGEJL-CYBMUJFWSA-N 309.414 -0.499 30 20 DBED COCC#CCN1CCCN(C(=O)[C@@H]2CCNC(=O)C2)CC1 1195472312 BOSIWQURWIFBHZ-CQSZACIVSA-N 307.394 -0.303 30 20 DBED Cn1nnnc1CNC1CCN(C(=O)CSCC#N)CC1 1199386376 AMTXRDQRYNMQBI-UHFFFAOYSA-N 309.399 -0.453 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CCN(C(=O)CNC(=O)OC)CC1 1199503491 FCCMBALIPPYXFP-LLVKDONJSA-N 324.381 -0.939 30 20 DBED N#CCNC1CCN(C(=O)CCCn2c(O)nnc2O)CC1 1201378929 RKFSEZWXRJGJBU-UHFFFAOYSA-N 308.342 -0.426 30 20 DBED C=CCNC[C@H]1CN(C(=O)CN2CC(=O)N(C)C2=O)CCCO1 1201848522 OBSJXNBNRUCZPE-LBPRGKRZSA-N 324.381 -0.727 30 20 DBED N#CCNC(=O)CN[C@@H]1C[C@@H](NC(=O)c2nc[nH]n2)C12CCC2 1203500508 QQKDMUFKKSRTJI-NXEZZACHSA-N 317.353 -0.925 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CCN(C(=O)CN2CCCC2)CC1 1203714100 FTAHFXGKZKGCCT-CQSZACIVSA-N 320.437 -0.199 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2cncnc2C)[C@H](C)C1 1206210472 XDEVGNNNEYTGFX-BXUZGUMPSA-N 315.377 -0.415 30 20 DBED C#CCNCC1CCN(C(=O)c2nc(O)nc(O)c2OC)CC1 1206870373 UXYWTWKCGOEAER-UHFFFAOYSA-N 320.349 -0.029 30 20 DBED C#CCN[C@@H]1CCCN(C(=O)CS(=O)(=O)N(CC)CC)C1 1209907727 IRIUIZCDOYPBKQ-CYBMUJFWSA-N 315.439 -0.128 30 20 DBED COCC#CCN1C[C@@H](NC(=O)CCc2nc[nH]n2)[C@H](OC)C1 1212111561 GUERRSRQMHKZNR-CHWSQXEVSA-N 321.381 -0.798 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CCCOC2)C[C@H]1C 1214299733 SKIYBTWYMQJMOS-HZSPNIEDSA-N 307.394 -0.401 30 20 DBED CCN(C)C(C)(C)C(=O)N1C[C@@H](NCC(=O)NCC#N)[C@H](C)C1 1215001269 BOAOYEBSSPYHCT-CHWSQXEVSA-N 323.441 -0.207 30 20 DBED C#CCO[C@H](C)C(=O)N1CCO[C@@H]2CN(CC(=O)N(C)C)C[C@@H]21 1217869175 SCXGGZPJPFTMJG-HZSPNIEDSA-N 323.393 -0.976 30 20 DBED CCn1cc(CN2C[C@H](O)[C@H](NC(=O)CSCC#N)C2)nn1 1219218587 SZJDTDGBWISWGQ-NEPJUHHUSA-N 324.410 -0.784 30 20 DBED C=CCCO[C@H](C)C(=O)N[C@@H]1CN(CC#CCOC)C[C@@H]1O 1219324411 PJVHNFCDNWZXGH-KFWWJZLASA-N 310.394 -0.221 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)CC2CCOCC2)C1 1219394741 RPNZJZRFFMRZLT-CABCVRRESA-N 310.394 -0.386 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2ccns2)C[C@@H]1O 1219612016 VEHRFAZFZLUGIE-OLZOCXBDSA-N 309.391 -0.156 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](NC(=O)CN(C)S(C)(=O)=O)C1 1219736630 YQKVYIPQZSFVBU-NEPJUHHUSA-N 319.427 -0.995 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C2CC3(CCC3)C2)C1 1220176678 SREZWHJZKRORHI-KGLIPLIRSA-N 319.405 -0.523 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@@H](NC(N)=O)C(C)(C)C)C1 1220759636 HLGWOXDIWOIWCR-GRYCIOLGSA-N 310.398 -0.746 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H]2CCN(C[C@H](C)OC)C[C@H]21 1221491260 BZCWQGOUGPBSBP-BFHYXJOUSA-N 307.394 -0.307 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)c2ncoc2C)CC1 1226310500 WRRMARUXKGUPMA-UHFFFAOYSA-N 304.350 -0.073 30 20 DBED N#CCN1CCS(=O)(=O)[C@@H](CCNC(=O)c2cnccn2)C1 1230413586 RPUQJFMRVJLYQJ-NSHDSACASA-N 323.378 -0.781 30 20 DBED C=CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)C[C@H]1COC(=O)C1 1233610371 HZEOWCLZCUDNMM-CHWSQXEVSA-N 323.393 -0.226 30 20 DBED COCC#CCN1CC[C@@H]1CN(C)C(=O)CO[C@@H]1CCOC1 1234295564 GMCNZSPYXQODNR-HUUCEWRRSA-N 310.394 -0.026 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)[C@H](C(C)C)N(C)C 1235589605 TZDFWIAWLFTUAT-HOCLYGCPSA-N 322.453 -0.145 30 20 DBED CN1C[C@H](NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1=O 1319336252 RDRSNAAZXSAWNX-TWLKNAOBSA-N 321.337 -0.957 30 20 DBED Cc1cc(C)n(N=Cc2cn(CC(=O)O)nn2)c(=O)c1C#N 1319807595 FVDTZLIFDMVTMB-UHFFFAOYSA-N 300.278 -0.105 30 20 DBED C=C[C@H](COC)NC(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1 1320295016 TYQQSXALGZKMSE-WDEREUQCSA-N 305.400 -0.137 30 20 DBED CO[C@H](CNC(=O)C(=O)N1CCO[C@H](C#N)C1)C(F)(F)F 1323043999 NDJPFHPWRDQSTP-HTQZYQBOSA-N 309.244 -0.569 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CC[C@@H](N2CCCC2=O)C1 1323527333 FFVKBNSUIWURSB-VXGBXAGGSA-N 309.366 -0.473 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N1CCSC[C@H]1CCO 1324234849 KLLDEZFYVYFFNQ-WDEREUQCSA-N 302.396 -0.370 30 20 DBED CCOCCOCCN(C)C(=O)C(=O)N1CC[C@@](F)(C#N)C1 1325044792 BNFBZUGSPVVNBR-CQSZACIVSA-N 315.345 -0.038 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N1CCN(CCO)C(C)(C)C1 1325273878 HGGHGVXEYMOTSA-UHFFFAOYSA-N 319.405 -0.613 30 20 DBED N#C[C@H]1CC[C@@H](NC(=O)C(=O)N2CCC3(CC2)CNC(=O)C3)C1 1328106052 CHGPDUPHFWJMCQ-NWDGAFQWSA-N 318.377 -0.076 30 20 DBED N#Cc1ccc(NC(=O)C(=O)NCC[C@]2(O)CCCOC2)nc1 1328730728 QIVWSPSSOGBWRU-OAHLLOKOSA-N 318.333 -0.060 30 20 DBED CC[C@H]1CN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)CCO1 1332038050 SBYVSWOVLRQBRK-KGLIPLIRSA-N 320.393 -0.177 30 20 DBED C=CCn1c(N2CCNC(=O)[C@H]2CC)nnc1[C@@]1(O)CCOC1 1342442810 LLSWRTMMEQDLCP-IAQYHMDHSA-N 321.381 -0.213 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CC[C@H]([C@@H](C)O)C2)nn1 1345711282 RRQODGFVJHVUAL-MNOVXSKESA-N 307.354 -0.690 30 20 DBED N#CCCCCNC(=O)C(=O)N1CC[C@H]2NC(=O)CC[C@@H]2C1 1347497856 GMAYMXTYDGYNDH-VXGBXAGGSA-N 306.366 -0.076 30 20 DBED N#Cc1cn(CC(=O)N[C@@H]2CN3CCC2CC3)c(=O)nc1O 1363255488 KKTZMYBJYSMBGV-LLVKDONJSA-N 303.322 -0.969 30 20 DBED N#Cc1cn(CC(=O)N[C@H]2CN3CCC2CC3)c(=O)nc1O 1363255490 KKTZMYBJYSMBGV-NSHDSACASA-N 303.322 -0.969 30 20 DBED Cn1cnc(S(=O)(=O)NCC(=O)NCC2(C#N)CCC2)c1 1363455387 YREZFXCBNHSZQW-UHFFFAOYSA-N 311.367 -0.492 30 20 DBED Cn1cnnc1[C@@H]1CCCN1C(=O)NCCn1cnc(C#N)n1 1364275164 QLDQAWYISVNIJR-JTQLQIEISA-N 315.341 -0.175 30 20 DBED CC(=O)NCC(=O)N1C[C@H](NC(=O)c2ccc(C#N)[nH]2)C[C@@H]1C 1370860304 RTFNRPKCMSVLQL-JOYOIKCWSA-N 317.349 -0.258 30 20 DBED C[C@H](C#N)C(=O)NC1CN(C(=O)c2cc(CN(C)C)on2)C1 1374751503 RXQMJNIKBLSCNO-SECBINFHSA-N 305.338 -0.164 30 20 DBED CO[C@H](C)CC(=O)NCCN1CCN(C(=O)[C@@H](C)C#N)CC1 1385548040 LIHOUIWMHZOQHY-QWHCGFSZSA-N 310.398 -0.169 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)Cn2ccccc2=O)CC1 1389957422 HCAFHISZIYBSSZ-LLVKDONJSA-N 302.334 -0.227 30 20 DBED CCN(C(=O)CCNC(=O)NC)[C@@H]1CCN(C(=O)[C@@H](C)C#N)C1 1390110961 NYLFFNKWYMSYAT-NWDGAFQWSA-N 323.397 -0.085 30 20 DBED CNS(=O)(=O)CCNS(=O)(=O)c1ccccc1CC#N 1423937858 CUDMXZHPPFSQRH-UHFFFAOYSA-N 317.392 -0.420 30 20 DBED Cc1cc(C(=O)N(C)C[C@H](O)CNC(=O)[C@@H](C)C#N)n(C)n1 1425772070 PMALJLMVLFIYIU-GXSJLCMTSA-N 307.354 -0.563 30 20 DBED CNC(=O)NC(=O)[C@@H](C)NC[C@@H](C)NC(=O)c1cc(C#N)c[nH]1 1445375265 SFRJFXKYWNHKPR-RKDXNWHRSA-N 320.353 -0.562 30 20 DBED C[C@H](C#N)C(=O)NCC1(C)CCN(Cc2nc(=O)n(C)[nH]2)CC1 1446616454 QENLTJQSJIMLGL-LLVKDONJSA-N 320.397 -0.014 30 20 DBED CC[C@@H](CNC(=O)c1ccc(C(N)=O)nc1)NC(=O)[C@H](C)C#N 1450991846 LSROUXZYAPUSOV-KOLCDFICSA-N 317.349 -0.035 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@@H](O)CNC(=O)[C@@]2(F)CCOC2)c1 1452329016 KOLWGVFONIOPBW-QMTHXVAHSA-N 324.312 -0.778 30 20 DBED Cc1nn(C)c(C)c1C(=O)NC[C@H](O)CNC(=O)[C@@H](C)C#N 1452406306 WKLKOBSLNQFSCA-GZMMTYOYSA-N 307.354 -0.596 30 20 DBED CC[S@](=O)CCNC(=O)CCn1cc(C#N)c(O)nc1=O 1465144703 GOPWBIGJULMIFW-NRFANRHFSA-N 312.351 -0.905 30 20 DBED CNS(=O)(=O)CCn1c(C)nnc1N(C)C[C@H](C)C#N 1517621338 WJIPRSAWVUBKBX-SECBINFHSA-N 300.388 -0.268 30 20 DBED C=CC(C)(C)C(=O)NC1(CCO)CN(C(=O)[C@@H]2C[C@H]2C(=O)O)C1 1573347902 QAAHPZSJVYJVDH-GHMZBOCLSA-N 324.377 -0.001 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CCN(c2cncc(-c3nn[nH]n3)n2)C1 1573578168 ZGGBIXPCKXDNPF-IUCAKERBSA-N 313.325 -0.489 30 20 DBED C[C@H]1CC[C@@H](C(N)=O)CN1c1cnc(-c2nn[nH]n2)c(C#N)n1 1576100057 IXDLXDNJSIHSLA-JGVFFNPUSA-N 313.325 -0.381 30 20 DBED CO[C@H]1COCC[C@@H]1N(C)c1cnc(-c2nn[nH]n2)c(C#N)n1 1579618411 JXLQKEVUEYTRIK-UWVGGRQHSA-N 316.325 -0.232 30 20 DBED C#CC[C@@H](NC(=O)c1coc(S(=O)(=O)NC)c1)C(=O)O 1588422190 SVJOIGOHELREMI-MRVPVSSYSA-N 300.292 -0.606 30 20 DBED C=CCOC[C@H](NC(=O)C1CC2(C1)CS(=O)(=O)C2)C(=O)O 1588855193 BOYZIJTWBNSJKY-JTQLQIEISA-N 317.363 -0.417 30 20 DBED Cc1cc(C#N)cc(NC(=O)C(=O)NC[C@](C)(O)C(=O)O)c1 1594274292 XLOQXNWSYCMJNM-AWEZNQCLSA-N 305.290 -0.243 30 20 DBED COCC#CCN1CCN(CCNC(=O)[C@H]2C[C@H]2C(=O)O)CC1 1599139104 TWAVRNCKKRRFKG-UONOGXRCSA-N 323.393 -0.909 30 20 DBED N#CCC1(CNC(=O)C(=O)N2C[C@@H](O)C[C@H](C(=O)O)C2)CC1 1601062316 NIKRWHINJWCIBI-UWVGGRQHSA-N 309.322 -0.910 30 20 DBED CN(CCC#N)C[C@@H](O)CN[C@H]1CCN(c2cnn(C)c2)C1 1645853554 OUSYUHGSYSQPIY-ZFWWWQNUSA-N 306.414 -0.205 30 20 DBED C#CCN1CCN(CCNC(=O)[C@@H](OC)[C@@H]2CCOC2)CC1 1752371102 QAQMWHKSODJBKA-CABCVRRESA-N 309.410 -0.595 30 20 DBED COCC#CCN[C@@H](C)CNC(=O)C1CCS(=O)(=O)CC1 1752906926 SSOIBVDQUAOXJJ-LBPRGKRZSA-N 316.423 -0.445 30 20 DBED C#CCNC(=O)CNC[C@@H]1CCN(C(=O)[C@@H]2CCCOC2)C1 1752933228 ZOZDAWZRMXTVLL-UONOGXRCSA-N 307.394 -0.400 30 20 DBED C#CCNC(=O)CN(CCC)CCNC(=O)c1c(C)ncn1C 1753144774 IPPUKEAITWESNR-UHFFFAOYSA-N 319.409 -0.080 30 20 DBED C#CCNC(=O)CN(CCC)CCNC(=O)c1c[nH]nc1C 1753146530 YOMSGWVKSIOEKD-UHFFFAOYSA-N 305.382 -0.091 30 20 DBED Cc1cc(NC(=O)CN2CC(NC(=O)C#CC3CC3)C2)n(C)n1 1753377996 SKNBDZKAHAXHDB-UHFFFAOYSA-N 315.377 -0.119 30 20 DBED CCN(C(=O)C[C@H](C)OC)[C@H]1CCN(CC(=O)NCC#N)C1 1753453181 MMCNFKLUNVOTPL-STQMWFEESA-N 310.398 -0.026 30 20 DBED C#CCNC(=O)CNC[C@@H](C)CNC(=O)[C@H]1CCN(C)[C@@H](C)C1 1753636778 AMJONGWETRYYJD-ILXRZTDVSA-N 322.453 -0.192 30 20 DBED C=CCNC[C@@H](O)CNC(=O)c1ccnc(N2CCCC2)n1 1753916747 DPZSDGAQAYBLSB-GFCCVEGCSA-N 305.382 -0.057 30 20 DBED C#CCNC(=O)[C@H](C)NCC[C@@H](C)NC(=O)c1ccc(O)nn1 1753942958 JSGAVLQXWROROQ-MNOVXSKESA-N 319.365 -0.582 30 20 DBED C#CCNC(=O)[C@@H](C)NC/C=C/CNC(=O)c1ccc(C#N)[nH]1 1754113385 XSLBKYNRDWJGCH-ZYOFXKKJSA-N 313.361 -0.100 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NC/C=C/CN[C@H]1CCNC1=O 1754179320 FNVAGMKSTSXSDM-CTXXGXLOSA-N 322.409 -0.392 30 20 DBED C=CCNC(=O)CNC[C@@H](C)NC(=O)c1cn2cccnc2n1 1754232728 GWLWYFQGAYQZEX-LLVKDONJSA-N 316.365 -0.261 30 20 DBED COc1cccc(C(=O)N(C)CCCNCC(=O)NCC#N)n1 1754406863 BEERPRHDQKBRMD-UHFFFAOYSA-N 319.365 -0.218 30 20 DBED CCOCC1(C(=O)N[C@@H]2[C@H]3C[C@H]2N(CC(=O)NCC#N)C3)CC1 1754425255 NPOIWVYMASEXEA-OUCADQQQSA-N 320.393 -0.368 30 20 DBED C=CCCn1cc(C(=O)NC[C@]2(O)CCN(CCOC)C2)nn1 1754761028 YARLNCTWSVVWQU-OAHLLOKOSA-N 323.397 -0.333 30 20 DBED C=CCN1CC[C@@](O)(CNC(=O)Cc2nc3ncccn3n2)C1 1754762032 HVKNOUVJUWVEDX-OAHLLOKOSA-N 316.365 -0.594 30 20 DBED CNC(=O)NCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(CC#CCOC)C2 1754785542 NVKLACZINQRRMM-IHRRRGAJSA-N 322.409 -0.466 30 20 DBED C[C@H](NCC#N)[C@@H]1CCN(C(=O)CCN2C(=O)CCC2=O)C1 1754800363 HZOICUGOTIOBPJ-NWDGAFQWSA-N 306.366 -0.124 30 20 DBED C#CCOCCC(=O)N1C[C@@H]2CN(CC(=O)NCC#N)C[C@@H]2C1 1754842131 LBTPDKLIIGDMMK-OKILXGFUSA-N 318.377 -0.944 30 20 DBED C=CCN1CCC(CO)(NC(=O)[C@@H]2CN(CC)CCO2)CC1 1755183094 ZHRIROZDUCTGBP-AWEZNQCLSA-N 311.426 -0.164 30 20 DBED Cc1cc(C)n(CCC(=O)NC2(CCO)CN(CC#N)C2)n1 1755335442 HWIYFGCJTOFGNL-UHFFFAOYSA-N 305.382 -0.033 30 20 DBED C#CCCN1CC(CCO)(NC(=O)CN2CCCCCC2=O)C1 1755338010 CXZAWYPBVOBKHC-UHFFFAOYSA-N 321.421 -0.035 30 20 DBED CC#CCN1C[C@@H]2C(CNC(=O)[C@@H](C)N3C(=O)CCC3=O)[C@H]2C1 1755423452 AGUBQGRVWZPTOZ-MRVWCRGKSA-N 317.389 -0.159 30 20 DBED COCC#CCN[C@H](C)[C@@H]1CN(C(=O)Cn2cccn2)CCO1 1755437525 DYPMZNSRFBFKLH-CABCVRRESA-N 320.393 -0.262 30 20 DBED C=C[C@@](C)(O)CC(=O)N(C)C[C@H](O)CNCc1nncs1 1755778422 VVSYDEUSTCDPTG-ZWNOBZJWSA-N 314.411 -0.226 30 20 DBED C#CCN(C)C[C@H](O)CN(C)C(=O)c1cnn(CCOC)c1C 1755800489 IOGFQZFJSZJBAZ-AWEZNQCLSA-N 322.409 -0.164 30 20 DBED O=C(C#CC1CC1)NC[C@@H](CO)NC(=O)[C@@H]1CCCOCC1 1756519536 KBFXZJUBXSWPQP-KGLIPLIRSA-N 308.378 -0.190 30 20 DBED C=CCCC(=O)N[C@@H]1CN(C(=O)CCc2nc(C)no2)C[C@@H]1O 1757161733 CHAIXTZIACJYQY-NEPJUHHUSA-N 322.365 -0.035 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H]1C[C@@H](CNC(=O)CNC(=O)CC)C1 1757313882 JXLDBJKYELDKNR-UPJWGTAASA-N 323.393 -0.438 30 20 DBED COc1cc(C=NNC(=S)NCC(N)=O)ccc1C(=O)O 1776042465 QKQWKJFBRDOJBA-UHFFFAOYSA-N 310.335 -0.323 30 20 DBED Cc1ccc(C#N)cc1S(=O)(=O)NCCNS(C)(=O)=O 70431986 YOOOVFDOTNXNNY-UHFFFAOYSA-N 317.392 -0.306 30 20 DBED N#Cc1cccn(CC(=O)N2CCN(C(=O)C3CC3)CC2)c1=O 105394485 GJWOFIFWSKHBGK-UHFFFAOYSA-N 314.345 -0.199 30 20 DBED N#CCN1CCN(C(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)CC1 152668557 HDLBLXPCNYSTPJ-STQMWFEESA-N 318.377 -0.171 30 20 DBED C=CCNC(=O)CNC(=O)N1CCN(C2CCOCC2)CC1 181215149 NPRQORYPIRESMW-UHFFFAOYSA-N 310.398 -0.205 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@H](C)C[C@@H]2CN)C1=O 261848789 QGCOZLUPBSBSJW-WDEREUQCSA-N 322.365 -0.451 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)c2cc(C#N)c[nH]2)CC1 267235376 WXYDTINJYIHTBS-UHFFFAOYSA-N 313.361 -0.216 30 20 DBED COC(=O)[C@H]1CN(CC(=O)N(CCC#N)CCC#N)C[C@@H](C)O1 282546000 WNPNXANHOVZRIB-CHWSQXEVSA-N 322.365 -0.095 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCC2(COC)CCC2)C1=O 282620261 JYFWCGTUJCKDRN-UHFFFAOYSA-N 323.349 -0.104 30 20 DBED Cn1cnc(S(=O)(=O)NCC(=O)N[C@]2(C#N)CC2(C)C)c1 291924379 BMYMNRUXNZWFGS-LBPRGKRZSA-N 311.367 -0.493 30 20 DBED C#CCNC(=O)c1ccc(NCCCc2nc(=O)[nH][nH]2)nc1 301556239 SIAHTHCMSGQFNK-UHFFFAOYSA-N 300.322 -0.099 30 20 DBED CC(=O)N1CC(/C(O)=N/CCN2CCS(=O)(=O)CC2)C1 328652954 KGUNGXMNASLUSK-UHFFFAOYSA-N 303.384 -0.848 30 20 DBED C[C@@H](CN1CCOCC1)/C(O)=N/CCN1CCCS1(=O)=O 328969119 AOLYWAYHGSAQMX-LBPRGKRZSA-N 319.427 -0.053 30 20 DBED C[C@@H]1CN(/C(O)=N/CCN2CCOCC2)C[C@@H](C)S1(=O)=O 329707157 KJBNUKCBXLDZBW-VXGBXAGGSA-N 319.427 -0.260 30 20 DBED COCCN1CC[C@H](/N=C(/O)N2C[C@@H]3OCCN(C)[C@@H]3C2)C1 329963533 TZZDBRXPQWVSIM-MJBXVCDLSA-N 312.414 -0.364 30 20 DBED CN(C)C[C@@H](O)CNC(=O)C(=O)N1CCc2ccc(C#N)cc21 339793068 VOYRSBXUIZBCQS-ZDUSSCGKSA-N 316.361 -0.514 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCO[C@H](CCC)C2)C1=O 340452103 SVSWRGZJZXQBNT-LLVKDONJSA-N 323.349 -0.009 30 20 DBED Cc1ccc(C(=O)N[C@H](C)C(N)=O)cc1S(=O)(=O)NCC#N 342775943 GBNGEJJLGKFOKY-SECBINFHSA-N 324.362 -0.600 30 20 DBED C[C@@H]1CCC[C@@H]1NS(=O)(=O)CCCS(=O)(=O)NCC#N 349611861 IBFDWDFIFPEMCR-MNOVXSKESA-N 323.440 -0.073 30 20 DBED CC(C)NC(=O)CN(C)CC(=O)NC[C@@H]1CCCN(CC#N)C1 354086515 QOFVREVGQJHRHM-AWEZNQCLSA-N 323.441 -0.205 30 20 DBED C[C@@H]1CN(C(=O)NCC(=O)NCC#N)CCN1CC(C)(C)O 358282270 WIIYIIOLOIXUOH-LLVKDONJSA-N 311.386 -0.887 30 20 DBED Cn1ncnc1S(=O)(=O)CC(=O)NCc1ccc(C#N)cc1 358559496 HDCQXCZAQJBZSV-UHFFFAOYSA-N 319.346 -0.223 30 20 DBED C=CCN(CC(=O)O)C(=O)NC1CCN(S(C)(=O)=O)CC1 400192909 NBWVMTSITHOLEQ-UHFFFAOYSA-N 319.383 -0.307 30 20 DBED CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)N1CC(O)(CC#N)C1 408157835 GYJSTBFOVCRCNY-SECBINFHSA-N 303.384 -0.563 30 20 DBED CN(CCC#N)S(=O)(=O)NCCCCN1CCC[C@H]1CO 443297515 FUPKMNRHDRCFRC-ZDUSSCGKSA-N 318.443 -0.097 30 20 DBED N#CCCN(CCN1CCOCC1)C(=O)CCN1CCOC1=O 490959352 MZWCYIXJNHHRAX-UHFFFAOYSA-N 324.381 -0.097 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)CCc2cncs2)CC1 491209706 KPFKJIFPZVTRIY-UHFFFAOYSA-N 320.418 -0.031 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)CCc2ncccn2)CC1 491428175 NLLNJHYGGLEKJK-UHFFFAOYSA-N 315.377 -0.697 30 20 DBED C=CCSCCNC(=O)C(=O)NC[C@@H](C)S(C)(=O)=O 557015483 WPRWJHLFTLCVPI-SECBINFHSA-N 308.425 -0.429 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H](C(=O)O)[C@@H]1CCOC1 565836704 FPXRSFIMBLVMJX-MXWKQRLJSA-N 319.383 -0.208 30 20 DBED N#CC[C@]1(O)CCN(S(=O)(=O)CCCN2CCOCC2)C1 592077461 FUKWSOSHBDMKQD-ZDUSSCGKSA-N 317.411 -0.611 30 20 DBED CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)NCC1(C#N)CCC1 596633068 VQVDMUBWBXHTHE-VHSXEESVSA-N 301.368 -0.209 30 20 DBED CC(C)NC(=O)C(=O)N1CCN(C[C@H](O)CC(C)(C)C#N)CC1 598584286 GAIGZSBEULPNJD-CYBMUJFWSA-N 324.425 -0.044 30 20 DBED C[C@H]1CN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC[C@H]1C(=O)O 600800457 LNDUAPSXEDYZRJ-DTWKUNHWSA-N 306.322 -0.497 30 20 DBED CN(C(=O)N1CCN(CCC#N)CC1)[C@H]1CCS(=O)(=O)C1 601535876 FVQYKAQYXVCOAB-LBPRGKRZSA-N 314.411 -0.243 30 20 DBED CN(CC(=O)N1CC[C@@](F)(C#N)C1)[C@H]1CCS(=O)(=O)C1 615932869 SQIXUZCUIBPUMZ-CMPLNLGQSA-N 303.359 -0.431 30 20 DBED C#CCCN1CCC(NC(=O)[C@H](C)NS(C)(=O)=O)CC1 743493482 VQUOJWMTYQAGIC-NSHDSACASA-N 301.412 -0.472 30 20 DBED C#CCOc1ccc(F)cc1NC(=O)C(=O)N[C@H]1CNC(=O)C1 784869143 QYLZXPXHSIGUJL-SNVBAGLBSA-N 319.292 -0.219 30 20 DBED CN(C)CCN(C)C(=O)C(=O)NCCNc1ncccc1C#N 787757351 DFCWGNALVXXGFP-UHFFFAOYSA-N 318.381 -0.499 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)C1(S(C)(=O)=O)CC1 795882185 OTWYKXDGVYIENS-UHFFFAOYSA-N 304.324 -0.881 30 20 DBED C#CCCN1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)CC1 800020061 SYJUYDQHUFJBNB-CYBMUJFWSA-N 312.395 -0.904 30 20 DBED CN1CCN(c2ncc(C=Nn3c(O)nnc3O)cn2)CC1 814233615 YTYUFNUTJXSMFE-UHFFFAOYSA-N 304.314 -0.887 30 20 DBED N#Cc1nc(NC(=O)[C@H]2CCc3c[nH]nc3C2)[nH]c1-c1nn[nH]n1 822814181 BXIANOMVMVRILS-LURJTMIESA-N 324.308 -0.072 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@@](C)(C#N)CC)CC1 831574652 LABRVFHQMYPWKD-CYBMUJFWSA-N 312.395 -0.462 30 20 DBED CC(C)[C@H](C#N)N1CCN(C(=O)Cn2cnc(C(=O)O)n2)CC1 833467468 VSVBFVYICNYGIE-NSHDSACASA-N 320.353 -0.331 30 20 DBED C#CCn1cc(CNC(=O)[C@@H]2CCCN2S(C)(=O)=O)cn1 834606773 TZVLLDKQLMEEMB-LBPRGKRZSA-N 310.379 -0.444 30 20 DBED C[C@H](N)C[C@@H](C)NC(=O)C(=O)NCCNc1ccc(C#N)cn1 843264769 OSBUCJFWJHJDEQ-WDEREUQCSA-N 318.381 -0.277 30 20 DBED CC(C)[C@](C)(C#N)NC(=O)COC(=O)C1(S(N)(=O)=O)CC1 845203009 CRAIQWLGZHOFMX-NSHDSACASA-N 317.367 -0.595 30 20 DBED Cc1ccn(C[C@](C)(O)C(=O)N[C@@H]2CCCN(O)C2=O)c(=O)c1 848134717 YBBYHAVVNJCLKF-ABAIWWIYSA-N 323.349 -0.596 30 20 DBED C/N=C(/NCCN1CCOCC1)NC[C@@](C)(O)C(F)(F)F 849001607 HZGZNIPGMCUKKO-LLVKDONJSA-N 312.336 -0.203 30 20 DBED C#CCNS(=O)(=O)N1CCN(C[C@@H]2COC(C)(C)O2)CC1 851873562 DSASPNDPGSBWSR-GFCCVEGCSA-N 317.411 -0.777 30 20 DBED C#CC[C@H](CCOC)NC(=O)Cn1nc2n(c1=O)CCCC2 863779012 IINKTDLMJFLWGI-GFCCVEGCSA-N 306.366 -0.074 30 20 DBED CC(=O)c1cn(CC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)nn1 863946945 UQYYQOSEOCONKP-LBPRGKRZSA-N 302.338 -0.321 30 20 DBED CN(CCO)CCNS(=O)(=O)c1cccc(F)c1C#N 885805347 JUMLDJGFXDXBRI-UHFFFAOYSA-N 301.343 -0.100 30 20 DBED O=C1CN(CCNC(=O)c2cccc(C#CCO)c2)CCN1 907288078 YIBSNPSVLOTEMN-UHFFFAOYSA-N 301.346 -0.808 30 20 DBED COc1ccc(C(=O)NCC#CCN(C)C)cc1-n1cnnn1 913521262 RFFQTIPYPBYDPV-UHFFFAOYSA-N 314.349 -0.034 30 20 DBED C#CC1(O)CN(C[C@H](O)COc2ccc3c(c2)CCC(=O)N3)C1 934449588 FFEQORCXQIJNIB-ZDUSSCGKSA-N 316.357 -0.009 30 20 DBED CN(C(=O)Cn1cnnn1)[C@@H]1CCN(C(=O)C#CC2CC2)C1 937347784 SRDGAEGRHWXWRF-GFCCVEGCSA-N 302.338 -0.854 30 20 DBED C=C(Cl)CN1CC(N2CCN(C(=O)Cc3nc[nH]n3)CC2)C1 941634879 MBVKWMDONZVGDU-UHFFFAOYSA-N 324.816 -0.072 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)Cc3nc[nH]n3)C2)cn1 942470471 ARGBLEKGNCPRSL-CYBMUJFWSA-N 324.344 -0.246 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCCCN(C(=O)C(N)=O)C2)nn1 943258043 DZFOVQAIZWDRGQ-JTQLQIEISA-N 320.353 -0.940 30 20 DBED N#Cc1ccc(C(=O)NC[C@H]2CCCN2C(=O)CC(N)=O)[nH]1 943919708 LXOGJZDBPFNJOY-SNVBAGLBSA-N 303.322 -0.517 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)c2ncccn2)C1 944739338 DEWIKNCGEOZDPN-QWRGUYRKSA-N 303.322 -0.407 30 20 DBED C#CCCN1CCC2(CC1)CN(C(=O)[C@H]1CCNC1=O)CCO2 949153977 LZSTZPQXZXGIOS-AWEZNQCLSA-N 319.405 -0.161 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]1CNC(=O)c1ccc2nn[nH]c2n1 950552581 GYGXZXYFBWLJEE-DTWKUNHWSA-N 313.321 -0.157 30 20 DBED O=C(NC[C@@H]1CCN1C(=O)C#CC1CC1)c1ccn2nnnc2c1 951455929 YOAGKCGHMJIANN-ZDUSSCGKSA-N 324.344 -0.132 30 20 DBED C[C@H](C#N)C(=O)N1CCC([C@@H]2CCN(C(=O)C(N)=O)C2)CC1 952307716 NSHPZHRYDJAGDR-ZYHUDNBSSA-N 306.366 -0.282 30 20 DBED C=CC(C)(C)C(=O)N1CC(N(C)C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 954285862 MWULOVMTNBJXQO-JTQLQIEISA-N 322.365 -0.534 30 20 DBED CCN1C[C@@H](C(=O)N(C)C2CN(C(=O)[C@H](C)C#N)C2)CC1=O 954485703 FTEFDSWDROAJRG-MNOVXSKESA-N 306.366 -0.316 30 20 DBED C#Cc1cncc(C(=O)N2CC[C@H](NC(=O)C(N)=O)C[C@@H]2C)c1 955813438 CHPKIYSPEWEVAC-GWCFXTLKSA-N 314.345 -0.343 30 20 DBED C#CCCN1C[C@@H](O)[C@H](CNC(=O)c2ccnc3ccnn23)C1 958135056 KBKKDVUJJWVOAA-TZMCWYRMSA-N 313.361 -0.225 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2ccc3nc(O)[nH]c3c2)C1 958447731 JCROBYZVZKMVAL-SMDDNHRTSA-N 314.345 -0.076 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2cn(CCC=C)nn2)C1 958477110 UPOFFYDDJHMTQN-TZMCWYRMSA-N 303.366 -0.490 30 20 DBED CN(C(=O)c1cn(C)cn1)[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 958823084 VSWUJUWHXIBZMO-KBPBESRZSA-N 316.361 -0.523 30 20 DBED C=C(C)CN1C[C@@H]2C(NC(=O)Cn3ccc(=O)n(C)c3=O)[C@H]2C1 960178243 XMEBGESFHKQUKH-RYUDHWBXSA-N 318.377 -0.831 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CN(C(=O)CO[C@@H]3CCOC3)C[C@H]2C1 961572884 WSRAWHMULHQYSY-IGQOVBAYSA-N 321.377 -0.132 30 20 DBED Cc1cnccc1C(=O)N[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1O 962758246 WFXIXABQCNQVLS-WQAKAFBOSA-N 302.334 -0.149 30 20 DBED N#Cc1ccc(C(=O)N2CCC[C@@H]3[C@@H]2CCN3C(=O)C(N)=O)[nH]1 962931833 MSFZMZXWCNNUKO-NEPJUHHUSA-N 315.333 -0.423 30 20 DBED C#CCNC1CC2(C1)CC(NC(=O)C[C@H]1CC(=O)NC1=O)C2 965954819 QNBLQHJHVBPRBV-MJMQAPBISA-N 303.362 -0.311 30 20 DBED C#CCN1CCC(C(=O)N[C@@H]2CN(C(=O)CC)C[C@@H]2O)CC1 966004015 DSJKCUZIHGUCNW-KGLIPLIRSA-N 307.394 -0.571 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(CC)C1CN(C(=O)C(N)=O)C1 968001679 TTZOHZPMJLLAFE-RYUDHWBXSA-N 309.366 -0.488 30 20 DBED CN(CC#N)[C@H]1CCN(C(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 971995958 JRNMVNVJHOFPPL-JQWIXIFHSA-N 302.338 -0.578 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)c3[nH]c(O)nc3C)C2)C1 972419896 KONXKXKBDUESBL-OAHLLOKOSA-N 304.350 -0.026 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2ncn(C)n2)C1 974093922 BGBFUUNJECHTER-KXNHARMFSA-N 319.365 -0.217 30 20 DBED CC#CCN1C[C@@H](NC(=O)C2CC(=O)NC(=O)C2)C(C)(C)C1 977325380 GUMYTLBDIDUWHK-GFCCVEGCSA-N 305.378 -0.111 30 20 DBED CC#CCN1C[C@@H]2C(CNC(=O)[C@H]3COCCN3C(C)=O)[C@H]2C1 979086450 FHJBXWIDDWJJFG-BZUAXINKSA-N 319.405 -0.449 30 20 DBED C#CCN[C@H]1CCC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 981099160 UVYIIEPOJSKKGK-QWRGUYRKSA-N 304.354 -0.973 30 20 DBED Cn1cc(C(=O)N[C@H]2CCC[C@@H](NCC#N)C2)c(O)nc1=O 981519294 ZQEIVCCUUGKNOG-ZJUUUORDSA-N 305.338 -0.360 30 20 DBED CC(=O)N1CCOC[C@H]1C(=O)N1CC2(CCCN(CC#N)C2)C1 982158625 PWUPACYNDQPPGD-AWEZNQCLSA-N 320.393 -0.318 30 20 DBED N#CCN1CCCC2(C1)CN(C(=O)C[C@@H]1CC(=O)NC1=O)C2 982176894 VDGKDCSWFOCIES-NSHDSACASA-N 304.350 -0.513 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C(N)=O)[C@@H]1CC 985048298 FUGRLMRTDROHKM-XQQFMLRXSA-N 320.393 -0.935 30 20 DBED C=CCn1cccc1C(=O)N1CC(NC(=O)[C@H]2CCC(=O)N2)C1 990499568 LNNMEHMSGHLBIJ-GFCCVEGCSA-N 316.361 -0.107 30 20 DBED CC#CCN1CCC[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)[C@H]1C 994332055 UBZFWQKAOSUKQQ-TZMCWYRMSA-N 319.409 -0.117 30 20 DBED O=C(NC1CN(C(=O)C#CC2CC2)C1)[C@@H]1CCc2nn[nH]c2C1 996390641 HUMJIDFKWKZFPZ-LLVKDONJSA-N 313.361 -0.350 30 20 DBED C=CCN[C@H]1CN(C(=O)c2cn(CC(N)=O)nn2)CC1(C)C 996665304 AZCHKAWXRHCBBS-NSHDSACASA-N 306.370 -0.610 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2COCCO2)CC1 1010420439 YPRZRQXLRSRHHQ-HZSPNIEDSA-N 324.377 -0.336 30 20 DBED C#Cc1ccc(C(=O)N2CCN(C(=O)c3cnn(C)n3)CC2)nc1 1011538271 ODQZTANLFOVRRH-UHFFFAOYSA-N 324.344 -0.210 30 20 DBED Cn1cc(CC(=O)NC2[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]23)cn1 1012854279 CPHMCUUKTDWVPP-ZIAGYGMSSA-N 312.373 -0.051 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H]2C(NC(=O)[C@@H]3CCNC3=O)[C@@H]2C1 1013543977 NYKHNHQORVWLGK-GMTAPVOTSA-N 305.378 -0.092 30 20 DBED C=C(Cl)CN1CC[C@H](NC(=O)CN2CCCS2(=O)=O)C1 1014642464 CIRNZMSHHSLATG-NSHDSACASA-N 321.830 -0.035 30 20 DBED C#CCCN1CC[C@@H](NC(=O)[C@H]2CCc3nnc(O)n3C2)C1 1014995588 KQEKEUPPPAGWBB-NWDGAFQWSA-N 303.366 -0.240 30 20 DBED Cn1cnc(C(=O)N2CC3(CCN(C(=O)C#CC4CC4)C3)C2)n1 1018996265 KYRLSPJQIHZJQO-UHFFFAOYSA-N 313.361 -0.097 30 20 DBED C=C(Cl)CN[C@H]1CCN(C(=O)Cn2ccc(O)nc2=O)C1 1019103696 BSEAFVGCSKIMGZ-JTQLQIEISA-N 312.757 -0.108 30 20 DBED O=C(N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O)[C@@H]1CCCCO1 1023415420 CFLRPLHWDBFVDA-MCIONIFRSA-N 306.362 -0.343 30 20 DBED C=C[C@](C)(CC)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2nnn(C)n2)C1 1025129659 PEEHMWLXXWFZFU-GPCCPHFNSA-N 322.369 -0.886 30 20 DBED C[C@H](c1nnnn1C)N1CC(CNC(=O)c2ccc(C#N)[nH]2)C1 1031620790 PAHFHLIBZBCNEN-SECBINFHSA-N 314.353 -0.167 30 20 DBED C#CCN1CCCC[C@H](NC(=O)CN2CCCS2(=O)=O)C1 1034239085 HQZPMLRGVAWCOI-ZDUSSCGKSA-N 313.423 -0.374 30 20 DBED N#CCN1CCC2(CCN(C(=O)CN3C(=O)CNC3=O)CC2)C1 1035253688 VIADUXOBTAHMDE-UHFFFAOYSA-N 319.365 -0.624 30 20 DBED N#CCN1CCC2(CCN(C(=O)C[C@@H]3CC(=O)NC3=O)CC2)C1 1035261197 YBEJSOXVXQJCRX-LBPRGKRZSA-N 318.377 -0.123 30 20 DBED C#CCN1CCO[C@H](CNC(=O)[C@@H]2CN(C(C)C)CCO2)C1 1035482838 KBPCXSCODNKPHY-CABCVRRESA-N 309.410 -0.454 30 20 DBED C#CCCN1CCO[C@@H](CNC(=O)[C@@H]2CCCS2(=O)=O)C1 1035608451 DCBNBOUVAHAHEY-STQMWFEESA-N 314.407 -0.596 30 20 DBED C=CCN[C@H]1CCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)C[C@H]1C 1036205828 YBZMPZNNZBFGCM-MNOVXSKESA-N 322.365 -0.580 30 20 DBED C[C@@H]1CN(C(=O)c2cnn3c(=O)cc[nH]c23)CC[C@H]1NCC#N 1036218240 KEAXBXXHABCQCR-ZYHUDNBSSA-N 314.349 -0.014 30 20 DBED C=CCCC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2COC(=O)N2)C1 1039603036 SPUBVZBVZTYCDP-HZMBPMFUSA-N 311.338 -0.859 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@](O)(CNC(=O)C#CC(C)C)C1 1039667580 FQUMDEUVEZCGSM-YOEHRIQHSA-N 320.389 -0.236 30 20 DBED Cc1c[nH]c(C(=O)NC[C@]2(O)CCN(C(=O)[C@@H](C)C#N)C2)n1 1039832932 UWBOOQSVJJACAN-LKFCYVNXSA-N 305.338 -0.429 30 20 DBED C=CCO[C@H](C)C(=O)NC[C@]1(O)CCN(C(=O)c2ncc[nH]2)C1 1040161980 RRHYKEZZZRJTDJ-IAQYHMDHSA-N 322.365 -0.306 30 20 DBED C#CCN1CCC[C@@]2(CCN(C(=O)Cn3cnnc3O)C2)C1 1040171265 UVMUZVAITTUPPA-OAHLLOKOSA-N 303.366 -0.069 30 20 DBED C=CCCC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2CN(C)C(=O)N2)C1 1040485816 OAZKHBCXRONXBU-XHDPSFHLSA-N 324.381 -0.944 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)c2csc(O)n2)C1 1040630214 RDUWYGSBCFWHDM-AMIZOPFISA-N 324.362 -0.298 30 20 DBED Cn1cc(C(=O)N[C@@H]2CN(c3ccc(C#N)nc3)C[C@H]2O)nn1 1041011653 HRKYLCHQFPHXJC-DGCLKSJQSA-N 313.321 -0.939 30 20 DBED C#CCN1CC[C@@]2(CCN(C(=O)c3nccnc3C(N)=O)C2)C1 1041821046 CREMLARQAOAMDC-MRXNPFEDSA-N 313.361 -0.253 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)c2cnn(CC)n2)C1 1042900348 QFMQMSGXBHZNAY-UHFFFAOYSA-N 307.354 -0.433 30 20 DBED N#Cc1cncc(N2C[C@H](O)[C@H](NC(=O)C3=COCCC3)C2)n1 1043874183 GIDJTXUHXMCTRW-OLZOCXBDSA-N 315.333 -0.292 30 20 DBED C=C(C)CCC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[C@H]2C(N)=O)C1 1044442771 JJFWIAAQWHYQJY-VXGBXAGGSA-N 323.393 -0.456 30 20 DBED CC#CCCCC(=O)NCC1(O)CN(C(=O)c2cncn2C)C1 1045003564 WYPIVIDJTGRVNP-UHFFFAOYSA-N 318.377 -0.083 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)[C@H]2CCC2(F)F)C1 1045556102 WVHLQUATUNSHMS-DTWKUNHWSA-N 301.293 -0.119 30 20 DBED CC#CCN1[C@H]2CC[C@H]1CN(C(=O)Cn1ncn(C)c1=O)CC2 1045804744 HMHOAKJAPRGIHT-KBPBESRZSA-N 317.393 -0.330 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)Cc2ccn(CC)n2)C1 1047388156 HNBFYFOEBLKBHZ-GJZGRUSLSA-N 304.394 -0.028 30 20 DBED C=CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2cn(C)c(=O)n2C)C1 1047641463 ZRWDIBFFDXUVOZ-AAEUAGOBSA-N 308.382 -0.583 30 20 DBED CC(=O)N[C@@H](C)C(=O)N(C)[C@H]1CN(C(=O)C#CC(C)C)C[C@@H]1O 1048136325 SASMIINRPHVCFM-UBHSHLNASA-N 323.393 -0.800 30 20 DBED C=CCCC(=O)N(C)[C@H]1CN(C(=O)c2cc(=O)n(C)o2)C[C@@H]1O 1048510029 FVMBKXNMBRRBLS-QWRGUYRKSA-N 323.349 -0.412 30 20 DBED C=CCCC(=O)N(C)[C@H]1CN(C(=O)Cn2cncn2)C[C@@H]1O 1048530395 FLBGJFPDDHWICK-RYUDHWBXSA-N 307.354 -0.726 30 20 DBED C=CCOCC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CCOC2)C[C@@H]1O 1048554614 BFUUNWMMKIZUBS-AGIUHOORSA-N 312.366 -0.744 30 20 DBED C=CCCCC(=O)N(C)[C@H]1CN(C(=O)Cc2nc[nH]n2)C[C@@H]1O 1049361160 QYNXRXZBWGZPHO-RYUDHWBXSA-N 321.381 -0.266 30 20 DBED C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1COCCN1C(C)=O 1049905839 BJKPUSBERZWPEI-BZUAXINKSA-N 319.405 -0.068 30 20 DBED Cn1ncc2cc(C(=O)NC[C@H]3COCCN3CC#N)cnc21 1051179145 AONZQIDIGMCJIQ-ZDUSSCGKSA-N 314.349 -0.078 30 20 DBED COCC(=O)N1CCC(N(CCO)c2ccc(C#N)nn2)CC1 1051483737 IAUDWPIULFDSMP-UHFFFAOYSA-N 319.365 -0.216 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)CCn1ccnn1)CCO2 1053234302 SLRDTJSUILZRBZ-UHFFFAOYSA-N 303.366 -0.395 30 20 DBED CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1CCC2(CN(CC#N)C2)O1 1053701506 WYALOLHXWQCVSV-UONOGXRCSA-N 320.393 -0.130 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)Cc3nnc(C)o3)CO2)C1 1053794887 ZWCUKTIVDZRWEH-LBPRGKRZSA-N 304.350 -0.097 30 20 DBED C=CCOCC(=O)N1C[C@@H]2CN(C(=O)CN(C)C(C)=O)C[C@@H]2C1 1055182661 BZXFIONGAKFTGE-OKILXGFUSA-N 323.393 -0.416 30 20 DBED C=CCOCC(=O)N[C@]1(CO)CCCN(C(=O)COCC)C1 1055830633 ACXJIPDDUNJSCJ-OAHLLOKOSA-N 314.382 -0.305 30 20 DBED CC(C)N(C)CC(=O)N[C@@]1(CO)CCCN(C(=O)[C@H](C)C#N)C1 1055980833 RGRDAJHHHFRESS-CJNGLKHVSA-N 324.425 -0.044 30 20 DBED CC(C)C#CC(=O)N1CCC[C@](CO)(NC(=O)c2cnon2)C1 1056070672 KXUPCSVJQWRPOM-HNNXBMFYSA-N 320.349 -0.188 30 20 DBED CN(c1cnc(C#N)cn1)[C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 1057033274 OCMQGSVMFMPEMU-UTUOFQBUSA-N 314.349 -0.493 30 20 DBED CC(C)(C(N)=O)C(=O)N1CCCN(c2nccnc2C#N)CC1 1057189813 IGHNFGXGSCGERY-UHFFFAOYSA-N 316.365 -0.102 30 20 DBED C=C[C@@H](CC)CC(=O)NCCN(CCO)C(=O)c1cnnn1C 1057474153 CGGYXJGXZIBIMG-LBPRGKRZSA-N 323.397 -0.032 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)CC1CCN(C)CC1 1058659481 ZVFQIXKTBFLJEG-ZDUSSCGKSA-N 324.425 -0.185 30 20 DBED N#Cc1cnc(N[C@H]2C[C@H](NC(=O)C[C@@H]3CCNC3=O)C2)cn1 1059324848 WKQQLHRRTYNDIX-DCAQKATOSA-N 314.349 -0.066 30 20 DBED N#Cc1nc(=NC[C@H]2CCCN(C(=O)c3cnn[nH]3)C2)cc[nH]1 1060106128 RSUOFRFFBJNRAJ-SNVBAGLBSA-N 312.337 -0.147 30 20 DBED C#CCCCC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H](C)NC(C)=O 1061253697 WQMVKTVBFBPKNJ-OCCSQVGLSA-N 323.393 -0.342 30 20 DBED C=CCOCC(=O)N1CCOC[C@H]1CNC(=O)[C@@H](CC)OC 1061397624 WWVKDXIPDHVNPU-CHWSQXEVSA-N 314.382 -0.042 30 20 DBED Cc1c(C(=O)N2CCOC[C@@H]2CNC(=O)[C@H](C)C#N)nnn1C 1061847532 TTZVPCOGWFJJNZ-KOLCDFICSA-N 320.353 -0.760 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2c1ncnc2c1nnn2C 1062457459 XBGZKWMESYGVCL-UTLUCORTSA-N 312.337 -0.293 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)CS(C)(=O)=O)CCC1 1062655693 PMGAZJODRSQICX-VIFPVBQESA-N 301.368 -0.654 30 20 DBED CN(C(=O)[C@@H]1COCCO1)[C@H]1CCN(c2cncc(C#N)n2)C1 1062890078 KJRLOHQDHDSBLA-STQMWFEESA-N 317.349 -0.199 30 20 DBED N#Cc1cnc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)c2nccnc2N)cn1 1064225202 APUAHIZRCMJTLU-UBHAPETDSA-N 322.332 -0.272 30 20 DBED N#CCSCC(=O)NC1(CNC(=O)Cc2nc[nH]n2)CCC1 1064605206 MXSOHKBHLAGJNA-UHFFFAOYSA-N 322.394 -0.241 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)CNC(=O)C2CC2)CCO1 1064904113 RMXDQMJPGWHHNK-CYBMUJFWSA-N 323.393 -0.178 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)C[C@@H](C)OC)CCO1 1064954479 WKQGDDPTZBANPM-CHWSQXEVSA-N 314.382 -0.042 30 20 DBED N#Cc1cnc(NC[C@@H]2CN(C(=O)c3nc[nH]n3)CCO2)cn1 1066638046 OCNLMKCNDRAZIS-SNVBAGLBSA-N 314.309 -0.581 30 20 DBED C[C@@H]1CN(C(=O)Cc2nc[nH]n2)C[C@@H]1N=c1cc[nH]c(C#N)n1 1067144076 IFZKGRFPIYAWIV-ZJUUUORDSA-N 312.337 -0.610 30 20 DBED C[C@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1Nc1cnc(C#N)cn1 1067148027 CDXMUTAPEIOHFX-ONGXEEELSA-N 313.325 -0.706 30 20 DBED C[C@@H]1[C@H](N=c2cc[nH]c(C#N)n2)CCN1C(=O)c1cnn(C)n1 1068871343 QVSJTLWVGPVIHO-NXEZZACHSA-N 312.337 -0.386 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 1069911717 KUCUQSWIHLHSHK-KGLIPLIRSA-N 309.333 -0.234 30 20 DBED N#CCN[C@@H]1CN(C(=O)c2cncc(F)c2)C[C@@H]1n1ccnn1 1070174529 SYMUCWPQOXMYFL-OLZOCXBDSA-N 315.312 -0.009 30 20 DBED C#CCOCCC(=O)N1CCC[C@@H](NC(=O)CC(=O)NCC)C1 1070727995 CBAYEHKDTWISCS-CYBMUJFWSA-N 323.393 -0.340 30 20 DBED CN1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@@H]3CN(CC#N)C[C@]2(C1)O3 1070775247 YNKNPTXHSQMDIA-DSJMHWKBSA-N 304.394 -0.094 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](NC(=O)C(C)(F)F)[C@H](C)C1 1071921939 MVRGQTWYWAJNHR-NXEZZACHSA-N 315.320 -0.256 30 20 DBED C=CCOCC(=O)N1CC[C@@H](NC(=O)c2nnn(C)n2)[C@@H](C)C1 1074110780 WAGZZFLMLOAZDU-WDEREUQCSA-N 322.369 -0.621 30 20 DBED CC#CCN1C[C@@H]2CCN(C(=O)CN3CCCNC3=O)[C@@H]2C1 1075985774 QJHOZXFMVFOCPK-UONOGXRCSA-N 304.394 -0.042 30 20 DBED C#CCCCC(=O)NCC[C@H](C)NC(=O)c1nnc(O)nc1O 1076307117 BOCQEEOOVCIXGV-VIFPVBQESA-N 321.337 -0.289 30 20 DBED C#CCO[C@@H](C)C(=O)NCC[C@H](C)NC(=O)CC(=O)NCC 1076510929 YBWFROAFGLJXDZ-RYUDHWBXSA-N 311.382 -0.438 30 20 DBED C[C@@H](CCNC(=O)CN1CCCNC1=O)NC(=O)[C@@H](C)C#N 1077306073 JLAFIVKIMQULMS-QWRGUYRKSA-N 309.370 -0.428 30 20 DBED CCN(C(=O)CN(C)C(C)=O)C1CN(C(=O)C#CC2CC2)C1 1079343315 CDCITXCUVOQMNY-UHFFFAOYSA-N 305.378 -0.063 30 20 DBED N#CCSCC(=O)NC[C@H]1CN(C(=O)c2cocn2)C[C@H]1O 1081286751 OPVBWOROURPATQ-GXSJLCMTSA-N 324.362 -0.520 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)CNC(=O)C2CC2)C[C@@H]1O 1081333340 RRFCSKNYMJZZPO-STQMWFEESA-N 323.393 -0.586 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@H](CNC(=O)Cc2cnc[nH]2)C1 1081799972 FQTSTHGSDMRPDR-YPMHNXCESA-N 306.366 -0.146 30 20 DBED C=CCCN1C[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)[C@H](OC)C1 1082374571 IIXIDNIUESXBFC-QJPTWQEYSA-N 317.411 -0.930 30 20 DBED C=CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cn(C)c(=O)cn1 1083148704 BDYADUOJOIRKMB-UONOGXRCSA-N 318.377 -0.118 30 20 DBED C=C(C)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CC[C@@H](C(N)=O)O1 1083191776 QONNTCBSRKWNGM-IGQOVBAYSA-N 323.393 -0.493 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)[C@H]2CC(=O)N(CCC)C2)C1 1083821166 XDNYUIRESRJFTL-MJBXVCDLSA-N 309.410 -0.018 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)c2cn([C@@H]3CCOC3)nn2)C1 1083929854 OCKCSYOZXKTGHE-BZPMIXESSA-N 319.365 -0.962 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2COc3ccccc3O2)C1 1084022524 LJUFQALLRDOBJV-SUNKGSAMSA-N 303.318 -0.489 30 20 DBED N#CCN[C@@H]1CCCCCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 1088328373 RKKGCMSFHJMOIZ-MNOVXSKESA-N 307.354 -0.531 30 20 DBED C=CCN1CC[C@H](NC(=O)c2nnn(C(C)(C)C)n2)[C@@H](O)C1 1090278441 DPLXLJOIEFISDJ-QWRGUYRKSA-N 308.386 -0.221 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cnn(CCN(C)C)c2)[C@H](O)C1 1090637269 JGGJIMUQBPVFPE-LSDHHAIUSA-N 319.409 -0.757 30 20 DBED Cc1nc(N2CC[C@@H](NC(=O)CC(N)=O)[C@H](O)C2)ccc1C#N 1092134803 RJUGIUHXTXZTRR-VXGBXAGGSA-N 317.349 -0.807 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)Cn3nccn3)c3nccn32)C1 1092371790 CIQQQBLRTCUAOD-LBPRGKRZSA-N 311.349 -0.620 30 20 DBED CCNC(=O)CCC(=O)N1CCN(c2cncc(C#N)n2)CC1 1093139009 JFLGQPGGMFTCOB-UHFFFAOYSA-N 316.365 -0.087 30 20 DBED CS(=O)(=O)CCC(=O)N1CCN(c2cncc(C#N)n2)CC1 1093204444 BDMGXJSDKCFSJN-UHFFFAOYSA-N 323.378 -0.568 30 20 DBED CC(=O)NCC(=O)NC1[C@H]2CN(c3cncc(C#N)n3)C[C@H]12 1093216124 WIYLDEHXYSRSFS-QWRGUYRKSA-N 300.322 -0.965 30 20 DBED N#Cc1nc(=NCCCNC(=O)CCn2ccnn2)cc[nH]1 1094409051 HQXZWFCFDSDYLT-UHFFFAOYSA-N 300.326 -0.630 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](Nc2nccnc2C#N)C1 1096937710 WNRXZBACYMHCLE-NSHDSACASA-N 312.333 -0.499 30 20 DBED C[C@@H](CC(=O)N[C@H]1C[C@@H](Nc2cnc(C#N)cn2)C1)NC(N)=O 1097225360 SWHGPUJRMIKACV-LPEHRKFASA-N 317.353 -0.146 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1ccc(S(N)(=O)=O)o1 1097428238 RFKLLDVGRPNFQR-MXWKQRLJSA-N 323.374 -0.105 30 20 DBED C[C@H](CNC(=O)CCS(C)(=O)=O)N=c1cc[nH]cc1C#N 1098392437 FSFVLGLSCDHOTN-SNVBAGLBSA-N 310.379 -0.274 30 20 DBED C#CCN(CCO)C1CCN(C(=O)[C@H]2CC(=O)N[C@@H](C)C2)CC1 1098415064 NWFGIJFZCDVHOG-UONOGXRCSA-N 321.421 -0.180 30 20 DBED C[C@H](CNC(=O)CN1CCCNC1=O)N=c1cc[nH]cc1C#N 1098420178 IEHXJBLMVLZTQV-LLVKDONJSA-N 316.365 -0.293 30 20 DBED CC#CCN(CCO)C1CCN(C(=O)[C@@H]2CN(C)C(=O)N2)CC1 1098447780 WYMVCOKQHLAGDR-AWEZNQCLSA-N 322.409 -0.681 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)C2=COCCO2)[C@@H](O)C1 1099642809 WTEGKAAACVPVGP-STQMWFEESA-N 312.366 -0.371 30 20 DBED C[C@@H](CCNC(=O)[C@H]1C[C@H]1C(N)=O)Nc1cncc(C#N)n1 1099692133 VMAUOGRCXUAGFZ-GDPRMGEGSA-N 302.338 -0.224 30 20 DBED CC#CCN1CC[C@H](NC(=O)CCc2ccncn2)[C@H](O)C1 1099855307 GATALMHPPMFZNT-LSDHHAIUSA-N 302.378 -0.016 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)c2[nH]c(O)nc2C)[C@@H](O)C1 1099884692 BGUCSGNEFMVTFX-RYUDHWBXSA-N 324.381 -0.209 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)C(C)(C)C(N)=O)[C@H](O)C1 1099887615 ICMWTPPEQOIGJQ-NWDGAFQWSA-N 313.398 -0.748 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)CCS(C)(=O)=O)[C@@H](O)C1 1099894596 MZCGVYXJVVODAP-NEPJUHHUSA-N 304.412 -0.451 30 20 DBED C=CCCCN1CC[C@H](NC(=O)C2CC(=O)NC(=O)C2)[C@H](O)C1 1100029196 KLJWIJVYOJNTMI-QWHCGFSZSA-N 323.393 -0.443 30 20 DBED C[C@@H](C(=O)NCCN(C)c1ccc(C#N)nn1)S(C)(=O)=O 1100394104 MLNHWXYOSGFWAF-VIFPVBQESA-N 311.367 -0.666 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H]2CN(C(=O)COCC)C[C@]2(C)C1 1101116743 DGQQHJWLWPPDOK-CPUCHLNUSA-N 321.421 -0.059 30 20 DBED CC(=O)N[C@@H](C)C(=O)NCCN(c1cncc(C#N)n1)C1CC1 1101275161 OVLPYYAASBLROA-JTQLQIEISA-N 316.365 -0.042 30 20 DBED CN(CCNc1nccnc1C#N)C(=O)CN1CCCNC1=O 1102036706 ZYUQGFVXJZRZDO-UHFFFAOYSA-N 317.353 -0.366 30 20 DBED N#Cc1nccnc1N[C@H]1CC[C@H](NC(=O)CNC(N)=O)CC1 1103634689 DZGJDWVKCVSNDQ-MGCOHNPYSA-N 317.353 -0.144 30 20 DBED Cc1c(C(=O)NC[C@H](O)CNc2ccc(C#N)nn2)cnn1C 1105751945 LQTRCCZWMFSMHR-LLVKDONJSA-N 315.337 -0.407 30 20 DBED COCCOCC(=O)NC[C@@H](O)CNc1nc(C)ccc1C#N 1105773549 JLKSIFTXIVYBHD-CYBMUJFWSA-N 322.365 -0.186 30 20 DBED N#Cc1cncc(NC[C@@H](O)CNC(=O)CO[C@H]2CCOC2)n1 1105972620 OBUVYHILDHOVFQ-NEPJUHHUSA-N 321.337 -0.957 30 20 DBED Cc1ncc(CC(=O)NC[C@@H](O)CNc2nccnc2C#N)o1 1106004363 QHZHRBNBBPTTBZ-SNVBAGLBSA-N 316.321 -0.224 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)[C@@]2(F)CCOC2)nc1 1106073710 XYVLAZZIUBBRKF-SMDDNHRTSA-N 308.313 -0.029 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)[C@@H]1CCCNC1=O 1106867746 FAQVROYQXVWRSM-LLVKDONJSA-N 316.365 -0.443 30 20 DBED COCCOCC(=O)NC/C=C\CN=c1cc[nH]c(C#N)n1 1107080850 UKYZUMHFEYXOMZ-IHWYPQMZSA-N 305.338 -0.483 30 20 DBED CC(C)(C)C#CC(=O)NCc1cn(C2CN(CC(N)=O)C2)nn1 1107170957 FRVBIYSKRSNTEN-UHFFFAOYSA-N 318.381 -0.714 30 20 DBED C[C@H](CC(=O)NC/C=C/CNc1cncc(C#N)n1)NC(N)=O 1107350023 CAZQSSYSVSHIQT-VMZHVLLKSA-N 317.353 -0.121 30 20 DBED C[C@@H]1C[C@H]1C(=O)NC[C@@]1(C)CN(CC(=O)NCC#N)CCO1 1108125250 BJQNKOIKMKYMBT-JMSVASOKSA-N 308.382 -0.511 30 20 DBED C[C@@]1(CNC(=O)c2ccc(C(N)=O)cn2)CN(CC#N)CCO1 1108435828 DVUQHQOWVDVRNX-OAHLLOKOSA-N 317.349 -0.475 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)COC[C@@H]1CCOC1 1108521528 ZKDMMCRZMVIPJE-NWDGAFQWSA-N 319.365 -0.260 30 20 DBED C[C@@H](CN(C)c1cnc(C#N)cn1)NC(=O)[C@H]1COCCN1C 1108942800 DTMUUBOUNBJZTC-WCQYABFASA-N 318.381 -0.380 30 20 DBED C[C@H](CN(C)c1cncc(C#N)n1)NC(=O)[C@H]1COCCN1C 1108943157 LVBLPUMKCAMHAV-DGCLKSJQSA-N 318.381 -0.380 30 20 DBED C[C@@H](CN(C)c1ccc(C#N)nn1)NC(=O)[C@H]1COCCN1C 1108943234 OFKACKXQIKHGDH-WCQYABFASA-N 318.381 -0.380 30 20 DBED C[C@@H](CN(C)c1ccnc(C#N)n1)NC(=O)C(=O)NCC1CC1 1109060940 RLPCHOJYESJGKO-JTQLQIEISA-N 316.365 -0.185 30 20 DBED C[C@H](CN(C)c1ccc(C#N)nn1)NC(=O)c1c[nH]c(=O)cn1 1109231054 LPLSBTIJFJGYGP-SECBINFHSA-N 313.321 -0.314 30 20 DBED CN1C[C@H](C(=O)N(C)CCCN=c2cc[nH]c(C#N)n2)CC1=O 1109651685 LWPRLAKUJCTXTK-LLVKDONJSA-N 316.365 -0.491 30 20 DBED Cn1nnc2c(N3C[C@H]4C[C@H]3[C@H]4NC(=O)C#CC3CC3)ncnc21 1109701080 JOSMMKDUIYOTNH-MDZLAQPJSA-N 323.360 -0.135 30 20 DBED Cc1nc[nH]c1C(=O)N(CCO)CCNc1ccc(C#N)nn1 1111488054 VZVCUTMDGYRVMT-UHFFFAOYSA-N 315.337 -0.074 30 20 DBED N#Cc1cc([N+](=O)[O-])ccc1NCCN(CCO)C(=O)C(N)=O 1111556927 ANFGTXWDUXWKIR-UHFFFAOYSA-N 321.293 -0.815 30 20 DBED C=CCOCC(=O)NC[C@@H]1COCCN1c1ccnc(C#N)n1 1111672341 WOUPIGPBHXZJHZ-GFCCVEGCSA-N 317.349 -0.128 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@]12CCC[C@H]1CN(C(=O)COC)C2 1112220715 JRPYBBQUHFTUHY-KEYYUXOJSA-N 321.421 -0.011 30 20 DBED CCCOCC(=O)NC[C@@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1112708838 AEPXZRSKNFVFCG-YPMHNXCESA-N 319.365 -0.312 30 20 DBED C#CCOCCC(=O)N1CCN(CCN2C(=O)CCC2=O)CC1 1112844847 IYJFDBFYWITCAC-UHFFFAOYSA-N 321.377 -0.681 30 20 DBED N#Cc1nc(=NCC2CC(NC(=O)C3(C(N)=O)CC3)C2)cc[nH]1 1112869346 ZUGRYVYOSBFBPT-UHFFFAOYSA-N 314.349 -0.658 30 20 DBED C[C@H]1CC[C@H](CC(=O)N2CCN(CC(=O)NCC#N)CC2)O1 1113294547 BXQALVAPVFHRLN-QWHCGFSZSA-N 308.382 -0.272 30 20 DBED CCOCC(=O)N[C@H]1[C@@H]2CN(CC(=O)N(CC)CCC#N)C[C@@H]21 1113818427 BQJAELQUHDLYHC-VIKVFOODSA-N 322.409 -0.169 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)c3cnsn3)[C@@H]2C1 1113931731 JGJIYUYSYKUYJJ-RKDXNWHRSA-N 307.379 -0.500 30 20 DBED Cc1nc(C)c(C(=O)NC2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]23)o1 1114092747 BRNNMNFDNDRGNK-GHMZBOCLSA-N 317.349 -0.409 30 20 DBED O=C(C#CC1CC1)N[C@H]1[C@@H]2CN(C[C@@H](O)Cn3cccn3)C[C@@H]21 1114257597 CDPWFIOJJAOUAU-AIANPOQGSA-N 314.389 -0.296 30 20 DBED N#Cc1ccc(N2C[C@@H]3C(CNC(=O)Cc4nc[nH]n4)[C@H]3C2)nn1 1114571835 IKRZHTSYCGNZQZ-VXGBXAGGSA-N 324.348 -0.493 30 20 DBED CCC[C@H](C(=O)N[C@H]1[C@@H]2CN(CC#N)C[C@@H]21)S(N)(=O)=O 1114621352 IHMDOMRIRWFOFO-YTWAJWBKSA-N 300.384 -0.986 30 20 DBED C#CCCN1C[C@H]2C(NC(=O)CNC(=O)c3ccccn3)[C@@H]2C1 1115282344 MYOXHUVEGITJSN-CHWSQXEVSA-N 312.373 -0.119 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)c3[nH]cnc3C)[C@H]2C1 1115356481 KMKXLLZCMAYDQV-QWRGUYRKSA-N 303.366 -0.320 30 20 DBED CC(=O)N[C@@H](CC(=O)NCC1(NCC#N)CCCCC1)C(N)=O 1115761091 IMCZNUSLAVHBBG-LBPRGKRZSA-N 323.397 -0.701 30 20 DBED N#CCCCS(=O)(=O)NC(=O)CCCN1C(=O)CNC1=O 1116475894 HINNGKOERZWJGN-UHFFFAOYSA-N 316.339 -0.932 30 20 DBED Cc1noc([C@H]2CCCN(C(=O)NCC(=O)NCC#N)C2)n1 1117478416 WONOTRORHORGEQ-JTQLQIEISA-N 306.326 -0.093 30 20 DBED N#Cc1cncc(N[C@H](CO)CNC(=O)Cc2cncnc2)n1 1121411358 DFAXRVTWHAAELR-LBPRGKRZSA-N 313.321 -0.730 30 20 DBED Cn1ncc(C(=O)NC[C@H](CO)Nc2ccc(C#N)cn2)n1 1121770573 LXBFGBFUGOJHQZ-SNVBAGLBSA-N 301.310 -0.715 30 20 DBED N#Cc1cnc(N[C@H](CO)CNC(=O)c2nc[nH]n2)c(F)c1 1121893938 WLUJSYMFVYBLQT-QMMMGPOBSA-N 305.273 -0.587 30 20 DBED C[C@@H](CC(=O)NC[C@H](CO)Nc1ccc(C#N)nc1)NC(N)=O 1122071711 SRLFZYZQXMKRIH-JOYOIKCWSA-N 320.353 -0.711 30 20 DBED COCCC1(C(=O)NC[C@@H](CO)N=c2cc[nH]c(C#N)n2)CC1 1122132951 DCIKBVIDGWSHGX-NSHDSACASA-N 319.365 -0.524 30 20 DBED C=C(C)CN(CC)C(=O)[C@H](C)NCCNC(=O)CNC(C)=O 1122711108 XAOUCRMMYPZLEM-LBPRGKRZSA-N 312.414 -0.359 30 20 DBED CN(CC(=O)NC[C@@H](CO)N=c1cc[nH]cc1C#N)C1CCC1 1122740723 KXHURMRWRKTWPR-ZDUSSCGKSA-N 317.393 -0.252 30 20 DBED CN(C[C@H](O)CN(C)c1ccc(C#N)cn1)C(=O)c1nc[nH]n1 1125139330 IWFFRXOANOPTBU-LLVKDONJSA-N 315.337 -0.359 30 20 DBED C#CCNC(=O)CC(=O)NCCNCc1ncc(C2CC2)o1 1125978634 VUFIOPFOMQGMMU-UHFFFAOYSA-N 304.350 -0.103 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)CCc1ncc[nH]1 1126437345 ZOHNVXKQZKNLPB-UHFFFAOYSA-N 320.397 -0.190 30 20 DBED CS(=O)(=O)N1CC[C@H](CNCCNC(=O)C#CC2CC2)C1 1126881501 VNPYDXZJOIIBTD-CYBMUJFWSA-N 313.423 -0.613 30 20 DBED C=CCOCCNCCNC(=O)c1ccn(CCN(C)C)n1 1127558864 UKJRDIZTIUWWTH-UHFFFAOYSA-N 309.414 -0.033 30 20 DBED C#CCNC(=O)[C@H](C)N1CCn2ncc(CNC(=O)CC)c2C1 1128146205 YIFUZORTNKMBPG-LBPRGKRZSA-N 317.393 -0.137 30 20 DBED Cc1c(C(=O)NCCNCC(=O)NCC#N)cnn1C(C)(C)C 1128799698 FBRKIUVHQAIMFV-UHFFFAOYSA-N 320.397 -0.094 30 20 DBED CC[C@H](C)OCC(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1 1128897645 LQLXASUAKFNNIK-XQQFMLRXSA-N 306.370 -0.042 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)c1cnn2ccncc12 1129570305 RIFXBKKPDXKYQD-LLVKDONJSA-N 316.365 -0.261 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)Cc1ccc(F)cn1 1130398218 IMINYUFOJWGXBJ-LLVKDONJSA-N 306.341 -0.393 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1c(C)noc1C1CC1 1131438853 JZLHJZIAADDWLU-UHFFFAOYSA-N 304.350 -0.071 30 20 DBED C#CCCCC(=O)N1C[C@H](C)O[C@]2(CCN(CC(N)=O)C2)C1 1131658481 UIKHJXOANKQPHJ-BBRMVZONSA-N 307.394 -0.033 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2cnnn2C)CC[C@H]1C 1132003455 VSBYNONUGHCKNA-NEPJUHHUSA-N 318.381 -0.853 30 20 DBED COCC#CCN[C@H](C)C[C@@H](C)NC(=O)CCn1cnnn1 1135763721 APVPLLXKIZPWNJ-CHWSQXEVSA-N 308.386 -0.414 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)c1ccn(C)n1 1146322764 JZMOCERPUKXAQL-NEPJUHHUSA-N 305.382 -0.344 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)C[C@H]1CCCCC(=O)N1 1149113287 QRRNDDNSLKMBAV-CHWSQXEVSA-N 324.425 -0.168 30 20 DBED N#Cc1ccc(CNCCNC(=O)CCNC(N)=O)c(F)c1 1150424656 XYTYGOLHYILRGK-UHFFFAOYSA-N 307.329 -0.038 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)[C@@H](NC(N)=O)C(C)(C)C)C1 1150607508 UWLFDDZYLNVOSP-CHWSQXEVSA-N 324.425 -0.090 30 20 DBED CC#CCN1CCCO[C@H](CNC(=O)CS(=O)(=O)CC)C1 1150770512 HFPPERNTBZZDPN-CYBMUJFWSA-N 316.423 -0.349 30 20 DBED CC(C)C[C@H](C(N)=O)C(=O)NC[C@@H]1CN(CC#N)CCCO1 1150832001 OZBDOFWVXBABQJ-CHWSQXEVSA-N 310.398 -0.135 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)CC(=O)N(C)C)C1=O 1167788710 LPXDLRKFUXNREQ-LBPRGKRZSA-N 310.398 -0.653 30 20 DBED C[C@H](CCCCNCC(=O)NCC#N)NC(=O)c1cc[nH]n1 1169307782 BCFFOJVTSVOPLK-LLVKDONJSA-N 306.370 -0.072 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H]2OCCN(CC=C)[C@@H]2C1 1176983730 YNUITZRMLNUVTK-KGLIPLIRSA-N 305.378 -0.386 30 20 DBED N#Cc1ccc(C(=O)NCCc2nnc3c(=O)[nH]ccn23)nc1 1177847503 LXBGRLNKWSBIPK-UHFFFAOYSA-N 309.289 -0.343 30 20 DBED Cc1[nH]nc(C(=O)N2CC[C@H](NCC(=O)NCC#N)[C@@H]2C)c1C 1178395344 FVPAQECNHLTYQV-RYUDHWBXSA-N 318.381 -0.141 30 20 DBED C#CCOCCC(=O)N1CC[C@H](NCc2nncn2C)[C@@H]1C 1178681500 ICXBFXKVRXJHDT-STQMWFEESA-N 305.382 -0.066 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)C[C@H](C)COC)[C@H]1C 1179828828 QGYKZEZNZAGJQB-IHRRRGAJSA-N 309.410 -0.013 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)Cn2ccnc2C)[C@H]1C 1180136276 VKOZJDQZEXFHHJ-JSGCOSHPSA-N 317.393 -0.480 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@@H](NCCNC(=O)C2CC2)C1 1182505272 UXIPTZXUCFBVIJ-GXTWGEPZSA-N 307.394 -0.259 30 20 DBED C#CCNC[C@]1(C)CN(C(=O)CN2CC(=O)N(C)C2=O)C[C@H]1C 1183143130 KRNQUTLLWSTKJT-MLGOLLRUSA-N 320.393 -0.412 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)Cc2cncs2)C1 1183456707 DAMPSTJIDFMGEH-LLVKDONJSA-N 306.391 -0.375 30 20 DBED C[C@H]1CN(C(=O)CN(C)S(C)(=O)=O)CC[C@@H]1CNCC#N 1184523710 NMTVTQGEBMPEQT-NWDGAFQWSA-N 316.427 -0.524 30 20 DBED C[C@H]1CN(C(=O)CN2CCOCC2=O)CC[C@H]1CNCC#N 1184586779 LGDVCYCRKUKYSW-STQMWFEESA-N 308.382 -0.557 30 20 DBED CCC(=O)NCC(=O)N1CC[C@H]2CN(CC#CCOC)C[C@H]21 1187417891 CMBCGSGVUWUKFX-UONOGXRCSA-N 307.394 -0.305 30 20 DBED COCC#CCN(C)[C@H]1CCN(C(=O)CCS(C)(=O)=O)C1 1190981292 LMPYNHPHFUEQMM-ZDUSSCGKSA-N 316.423 -0.396 30 20 DBED C[C@@H](c1nncn1C)N1C[C@@H](O)[C@H](NC(=O)CSCC#N)C1 1191162394 UKSHANNCLUTPBW-HBNTYKKESA-N 324.410 -0.706 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(CC(=O)NCCC)C[C@H]1O 1192531629 YVQDNRKELRAMRQ-LALPHHSUSA-N 313.398 -0.999 30 20 DBED C=CCCCN1C[C@@H](O)[C@H](NC(=O)C(=O)N2CC[C@@H](C)C2)C1 1197627805 UYVFMHYEACBEQD-MGPQQGTHSA-N 309.410 -0.018 30 20 DBED Cc1ncnc(O)c1C(=O)N1CCCO[C@@H](CNCC#N)C1 1201225951 RPKVEGOKZYVRQL-NSHDSACASA-N 305.338 -0.165 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)c2c[nH]nc2C)CC1 1201907559 RXUYBTDMGSODDM-UHFFFAOYSA-N 303.366 -0.338 30 20 DBED COCC#CCN[C@@H]1C[C@@H](NC(=O)Cn2ncnn2)C12CCC2 1202930499 WBGNJRRANZYSSL-CHWSQXEVSA-N 318.381 -0.660 30 20 DBED COCC#CCN[C@H]1C[C@H]2CC[C@H]1N(C(=O)Cn1ncnn1)C2 1204343693 HZTYVPXUCUNOCN-HZSPNIEDSA-N 318.381 -0.708 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)CC)[C@H](C)C1 1207037967 YGKMDVBIJXUQFQ-GRYCIOLGSA-N 301.412 -0.616 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC[C@@H](NCc2nc(=O)n(C)[nH]2)C1 1208018913 WEBHKAIEEXZPME-VXGBXAGGSA-N 321.381 -0.773 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)C[C@H]1CCCOC1 1211059511 DZPXNUXMSUDBDA-MGPQQGTHSA-N 322.409 -0.121 30 20 DBED CO[C@@H]1CN(CCn2nc(C)nc2C)C[C@H]1NC(=O)[C@@H](C)C#N 1212041242 JOPDIHQRYUHGDH-ZLKJLUDKSA-N 320.397 -0.130 30 20 DBED C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1NCC(=O)NCC#N 1214855890 QTCYKJGGCWRCHN-KYOSRNDESA-N 321.425 -0.597 30 20 DBED C=CCO[C@@H](C)C(=O)N1C[C@@H](NCC(=O)NCC#N)[C@H](C)C1 1216930637 PFNPLWCNNKNVIE-FRRDWIJNSA-N 308.382 -0.346 30 20 DBED COCC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)C[C@@H](C)OC 1217503308 CTFGPYRVSIEVCM-QLFBSQMISA-N 310.394 -0.027 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(Cc2nnc(C3CC3)o2)C[C@@H]1O 1219362316 VLRBSVVRBVKJEL-NEPJUHHUSA-N 322.365 -0.189 30 20 DBED C=C(Cl)C(C)(C)C(=O)N[C@@H]1CN(C[C@H](O)COC)C[C@@H]1O 1219703238 XZSQIUPSHMGJEP-TUAOUCFPSA-N 320.817 -0.066 30 20 DBED C=CCCCN1C[C@H](O)[C@H](NC(=O)CCNC(=O)COC)C1 1219744945 WTSCJHGXHVHTIK-OLZOCXBDSA-N 313.398 -0.733 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)C(=O)NCc2ccc(F)cc2)C1 1220511768 NNYPQXZZJWXVJW-OLZOCXBDSA-N 320.324 -0.873 30 20 DBED C=CCC[C@H](C)N1C[C@H](O)[C@H](NC(=O)CN2C(=O)CNC2=O)C1 1220927278 YGCMEJRBTYXAPI-TUAOUCFPSA-N 324.381 -0.946 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCCC[C@H]1N[C@@H](C)C(N)=O 1225779137 JVAKSKIBWNGDSY-QJPTWQEYSA-N 308.382 -0.983 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCCC[C@H]1N[C@@H]1CCNC1=O 1226178031 DCOXIAZMJDZUML-MGPQQGTHSA-N 307.394 -0.068 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)c2conc2C)CC1 1228927465 BPAIDOYGTAWFNA-UHFFFAOYSA-N 304.350 -0.073 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)Cn1ccnc1 1230347495 BIZYAABDKNKUNU-CHWSQXEVSA-N 318.381 -0.460 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)CSCC#N 1230814234 AQNFWDKDXGNRSQ-GFCCVEGCSA-N 308.407 -0.475 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@H]1CN(C)C(=O)c1ccon1 1230888478 BNPPOMNLRPWREW-NEPJUHHUSA-N 304.350 -0.041 30 20 DBED COC(=O)[C@]1(C)CCCN(C(=O)C(=O)N2CCO[C@@H](C#N)C2)C1 1261367827 NABLNGRLODZPMW-XHDPSFHLSA-N 323.349 -0.461 30 20 DBED C#CCCCC(=O)N[C@@]1(CO)CCCN(C[C@H](O)COC)C1 1271958783 OJMOUOVJUFQRIT-HOCLYGCPSA-N 312.410 -0.260 30 20 DBED CC(=O)NC[C@@H]1CN(C(=O)NC2CCN(CC#N)CC2)CCO1 1318672396 NCPIZCQUPFJOCK-CQSZACIVSA-N 323.397 -0.479 30 20 DBED C#CCN1CCC(C(=O)Nc2ncn(CC(=O)NC)n2)CC1 1318829594 BLVXFJIGCWGODH-UHFFFAOYSA-N 304.354 -0.692 30 20 DBED COCC(=O)NCCC(=O)O[C@@H](C)C(=O)NC1(C#N)CCC1 1320762842 WJHPIWCROHNJKM-JTQLQIEISA-N 311.338 -0.367 30 20 DBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCCNC(=O)C1CC1 1321925360 XEQFWAMSJCHFDL-STQMWFEESA-N 323.393 -0.274 30 20 DBED CN1C(=O)NC2(CCN(CC(=O)NC3(C#N)CCC3)CC2)C1=O 1322683725 PVWYQJRAZBZUKX-UHFFFAOYSA-N 319.365 -0.435 30 20 DBED C#CC[C@@H](CO)NC(=O)c1cnn2c1C[C@@H](CNC(C)=O)CC2 1325084174 JPCDXXYQMGRWJH-STQMWFEESA-N 318.377 -0.304 30 20 DBED C=CC1CCN(C(=O)C(=O)N2CCN3CCOC[C@@H]3C2)CC1 1325229589 PMQTUHIXVRCKKN-AWEZNQCLSA-N 307.394 -0.046 30 20 DBED COC[C@H](CNC(=O)C(=O)NCCc1ccc(C#N)cc1)OC 1328162502 QAMYLPOUYCVQDB-AWEZNQCLSA-N 319.361 -0.005 30 20 DBED C[C@@H]1CN(C)C(=O)CN1C(=O)C(=O)N1CCC[C@@H](CC#N)C1 1328203999 NGJLCIVWLJUVMA-NEPJUHHUSA-N 306.366 -0.172 30 20 DBED C#CCOCCNC(=O)C(=O)N(CCCO)Cc1ccccn1 1329098958 LXKGGBSGZQSHNE-UHFFFAOYSA-N 319.361 -0.441 30 20 DBED C[C@H](NC(=O)C(=O)N1CC[C@](O)(CC#N)C1)c1ccn(C)n1 1329372034 RWUMHOHPRMUYTB-IINYFYTJSA-N 305.338 -0.526 30 20 DBED C#CCN1CCN(C(=O)CN2CCC3(CCNC3=O)CC2)CC1 1331171925 DINPXTVLZBOUPA-UHFFFAOYSA-N 318.421 -0.634 30 20 DBED C=C(C)COCCNC(=O)C(=O)N1CCOC[C@@H]1COC 1334922806 NCDQCHJQAOKJDI-LBPRGKRZSA-N 300.355 -0.431 30 20 DBED C#CCCCCNC(=O)C(=O)N1CC[C@](COC)(C(=O)O)C1 1337188259 GDNNWKZIRZQBEU-HNNXBMFYSA-N 310.350 -0.144 30 20 DBED N#CCn1cc(NC(=O)C(=O)NCCCN2CCOCC2)cn1 1340823985 GGGHOFSHGSGPAK-UHFFFAOYSA-N 320.353 -0.816 30 20 DBED C#CCOCCNC(=O)C(=O)N1CC[S@](=O)[C@@H](C)[C@H]1C 1346543675 NCSZQEYVZWQFGL-NLQQUQSOSA-N 300.380 -0.880 30 20 DBED C[C@@H](CNC(=O)Cn1cc(C#N)c(O)nc1=O)N1CCCCC1 1363705801 VCLWXKMRVKJGOV-NSHDSACASA-N 319.365 -0.189 30 20 DBED N#Cc1ccc(N2CC[C@H](N3C[C@@H](O)[C@H](CO)C3)C2=O)cc1 1364725880 YMFBTKRBHXVKDO-AEGPPILISA-N 301.346 -0.051 30 20 DBED CCN(CCC#N)C(=O)CN[C@@H](C)CNC(=O)c1ccncn1 1366339166 UTBONMHXNRSUDL-LBPRGKRZSA-N 318.381 -0.053 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CN(C)C(=O)Cc1ccc(F)cn1 1370998628 ILXPYBSSPMGOBS-ZWNOBZJWSA-N 322.340 -0.142 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)CCn2cnnn2)CCCC1 1375316208 TUUJRDGGQIUFRC-LLVKDONJSA-N 319.369 -0.232 30 20 DBED C=C(Cl)CN[C@H]1CCN(C(=O)CS(=O)(=O)NC)[C@@H]1C 1379574267 UKFNRDZNEDZSOI-ZJUUUORDSA-N 309.819 -0.133 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@@H]1CCCN(C(=O)Cn2cncn2)C1 1386625034 PSYUPYDXKJHPDX-NWDGAFQWSA-N 304.354 -0.113 30 20 DBED CCC[C@@H](NC(N)=O)C(=O)N1CC(CNC(=O)[C@H](C)C#N)C1 1387924107 BFSUTAYMKDBNNE-MWLCHTKSSA-N 309.370 -0.442 30 20 DBED C=C(Cl)CNC[C@@H](O)CNC(=O)C(C)(C)CNC(C)=O 1392408533 LDEJSDSMAWPHFS-LLVKDONJSA-N 305.806 -0.032 30 20 DBED C[C@H](C#N)C(=O)N1CCCO[C@@H](CNC(=O)Cn2cncn2)C1 1396288766 OWRNYMSCAMWAMI-NEPJUHHUSA-N 320.353 -0.829 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)C[C@H]2CCCC(=O)N2)C1 1397225405 FTXUEJQLYPAECH-USZNOCQGSA-N 306.366 -0.032 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CN(C)C(=O)Cc1cnn(C)c1 1405590195 NXJNNSIRXURTNR-PWSUYJOCSA-N 307.354 -0.942 30 20 DBED C=C(Cl)CNC[C@H](C)N(C)C(=O)Cn1ncn(C)c1=O 1405841357 KVZIJZSMAIPMSY-JTQLQIEISA-N 301.778 -0.229 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)COCc2nncn2C)C1 1407837125 YTLAEMPZJOSISJ-DCAQKATOSA-N 320.353 -0.745 30 20 DBED CC(=O)N(C)CC(=O)NCC1CN(C(=O)c2cc(C#N)c[nH]2)C1 1409124011 NVDBEMYVEOBWDA-UHFFFAOYSA-N 317.349 -0.447 30 20 DBED CON1CCC(N(C)S(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 1414283450 WLQLUNQFICVHQW-LBPRGKRZSA-N 318.399 -0.587 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)c2cnc3n(c2=O)CCS3)C1 1434123377 HLQVOYHOTIZUAP-CYBMUJFWSA-N 306.347 -0.160 30 20 DBED N#Cc1ccccc1CNC[C@@H](O)CNC(=O)[C@@H]1COCCO1 1445164071 SHQAIFMJJRCNDQ-CABCVRRESA-N 319.361 -0.460 30 20 DBED C[C@@H]1CN=C(NC(=O)CCn2cc(C#N)c(O)nc2=O)S1 1451873846 BNIRTIMQRGOCJE-SSDOTTSWSA-N 307.335 -0.182 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1cn2cccnc2n1 1458032535 VLQIIJIBCKEOBT-UWVGGRQHSA-N 316.321 -0.904 30 20 DBED N#Cc1ccc2c(c1)N(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)CC(=O)N2 1460698673 NAKLQYJWDFLWQN-NWDGAFQWSA-N 314.301 -0.124 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1C[C@@H](NC(=O)[C@H]2CCCN2C)C1 1480196270 IDNCULMUOOGTBF-IGQOVBAYSA-N 306.410 -0.545 30 20 DBED C=C(Cl)CN1CC(O)(CNC(=O)[C@@H]2CCC(=O)N2C)C1 1484289717 QLBNKAKBOBJYQY-JTQLQIEISA-N 301.774 -0.477 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)[C@H](C)n2cccn2)C1 1490523071 NKSHIPJPPNWRML-STQMWFEESA-N 305.382 -0.063 30 20 DBED COCCC[C@@H](C)C(=O)N1CC[C@H](NCC(=O)NCC#N)C1 1490849467 ZGJOYDDAJVDUMR-OLZOCXBDSA-N 310.398 -0.121 30 20 DBED CN(CCNC(=O)[C@H]1CCCC(=O)N1)C(=O)c1cc(C#N)c[nH]1 1528294353 UMZJFXQXTQDUHK-LLVKDONJSA-N 317.349 -0.257 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H]1CNCCN1C(=O)CNC1=O 1569535067 WDIXSRLJPUJGKH-GHMZBOCLSA-N 307.354 -0.722 30 20 DBED C=C(C)Cn1c([C@@H]2COCCN2)nnc1N1CCNC(=O)C1 1574843701 HHAJHLBBPQAXGL-NSHDSACASA-N 306.370 -0.549 30 20 DBED NC[C@H]1CN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)CCCO1 1580268960 PZECWWKQHQQRMQ-AKCBPTIMSA-N 322.365 -0.521 30 20 DBED C#CC1(O)CN(C[C@H](O)COc2ccccc2-c2nn[nH]n2)C1 1588333048 BIBRJRLBZSPLDB-NSHDSACASA-N 315.333 -0.714 30 20 DBED C#CC[C@@H]1CCN(C(=O)NCCn2cnc(-c3nn[nH]n3)n2)C1 1588337465 PZRXARGBCIRKGT-SNVBAGLBSA-N 315.341 -0.487 30 20 DBED C#C[C@@H]1COCCN1CN1C(=O)N[C@@](C)(CCC(=O)O)C1=O 1588383820 LRHHNHPGFLJBQC-YGRLFVJLSA-N 309.322 -0.547 30 20 DBED C#CCSCCNC(=O)C(=O)N1CCO[C@H](CC(=O)O)C1 1588506545 WDACHHNUPBTZRJ-SNVBAGLBSA-N 314.363 -0.829 30 20 DBED C[C@@](C#N)(CC(=O)O)C(=O)N1CCO[C@@H](CS(C)(=O)=O)C1 1588538952 RMJGLIRWGCFFPT-SKDRFNHKSA-N 318.351 -0.737 30 20 DBED CC#CCN1CCN(CCCNC(=O)[C@H]2C[C@H]2C(=O)O)CC1 1588931127 LPHVKZJNSXPNAD-UONOGXRCSA-N 307.394 -0.146 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)NC[C@]1(C(=O)O)CCOC1 1589330788 QNZSUSMHPYMXKD-GXSJLCMTSA-N 305.356 -0.596 30 20 DBED C[C@@H](C(=O)O)S(=O)(=O)NC(=O)COc1ccc(C#N)cc1 1589492047 QGJNTLHPLHLMGW-QMMMGPOBSA-N 312.303 -0.144 30 20 DBED C=C(C)C[C@H](NC(=O)Cn1cc(S(N)(=O)=O)cn1)C(=O)O 1602749824 ZCVLYRLGQNPDKI-VIFPVBQESA-N 316.339 -0.934 30 20 DBED N#C[C@H]1COCCN1S(=O)(=O)c1ccc(-c2nn[nH]n2)o1 1609494590 HOBXDPFAOVYBLC-ZETCQYMHSA-N 310.295 -0.627 30 20 DBED C#CCNC(=O)CNC[C@H]1CCCN1C(=O)c1snnc1C 1732326698 HRRUSFDFCDNCFF-LLVKDONJSA-N 321.406 -0.210 30 20 DBED Cc1cnn(CC(=O)NC[C@H](NCC(=O)NCC#N)C2CC2)c1 1752451951 QJAYTMOFJLXANS-ZDUSSCGKSA-N 318.381 -0.684 30 20 DBED C#CCNC[C@H]1CCN(C(=O)C[C@]2(C)CCS(=O)(=O)N2)C1 1752957751 GBQLBZYDURWDSD-OCCSQVGLSA-N 313.423 -0.470 30 20 DBED CN(CCNC(=O)[C@H]1CCc2cncn2C1)CC(=O)NCC#N 1753054977 CQVZQPPFPFRUGC-LBPRGKRZSA-N 318.381 -0.867 30 20 DBED C#CCNC(=O)CN1CC[C@H](CCNC(=O)Cc2cc[nH]n2)C1 1753325293 SVSREIAZVMXHTC-ZDUSSCGKSA-N 317.393 -0.470 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H](CC)CNC(=O)c1cnn(C)c1N 1753473106 PWDCALBLELPQAW-QWRGUYRKSA-N 322.413 -0.209 30 20 DBED C#CCNC(=O)CNC[C@H]1[C@H](C)CCCN1C(=O)CCN(C)C 1753809178 KMVDKJDBXJYVHK-CABCVRRESA-N 322.453 -0.096 30 20 DBED C#CCNC(=O)CN(C)CCN(C)C(=O)c1ncccc1F 1753866474 JGMGFZONJLZNLE-UHFFFAOYSA-N 306.341 -0.026 30 20 DBED C=CCCC(=O)NC[C@@H](O)CNCC1CCS(=O)(=O)CC1 1753907862 VPRMDNVXNIWFBA-ZDUSSCGKSA-N 318.439 -0.156 30 20 DBED CCn1ncc(C(=O)N[C@H](C)CCNCC(=O)NCC#N)c1C 1754009095 WWDINZRZUGYNJJ-LLVKDONJSA-N 320.397 -0.051 30 20 DBED COCC#CCNC[C@H](C)NC(=O)c1c(C)c[nH]c1CC(N)=O 1754285490 ZIITXTMXUIVAFM-LBPRGKRZSA-N 320.393 -0.291 30 20 DBED C#CCN(C(=O)CNC(=O)CNC(C)=O)C1CCN(CC)CC1 1754638656 HDRFPFGKKBDUOJ-UHFFFAOYSA-N 322.409 -0.815 30 20 DBED C=CCNC(=O)[C@@H](C)NC[C@]1(C)CCN(C(=O)CC(N)=O)C1 1754690711 RCUOMSBZWNEWHS-ABAIWWIYSA-N 310.398 -0.619 30 20 DBED C#CCCCC(=O)NC[C@]1(O)CCN(Cc2nncn2C)C1 1754748794 MVGUTRXPKQQOKD-OAHLLOKOSA-N 305.382 -0.328 30 20 DBED C#CCN1CCC[C@](CO)(NC(=O)CS(=O)(=O)C(C)C)C1 1754860360 FGBGSEKMUVAKJT-AWEZNQCLSA-N 316.423 -0.614 30 20 DBED C#CCNC[C@@H]1CN(C(=O)C2CCS(=O)(=O)CC2)CCO1 1755009580 NQRMBRUJOCODEA-CYBMUJFWSA-N 314.407 -0.739 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)CCc3ccncn3)CO2)C1 1755062349 XTHQHXRRZPPPIQ-ZDUSSCGKSA-N 301.350 -0.108 30 20 DBED C=CCNC(=O)[C@H](C)N[C@H](CO)CNC(=O)C1CCOCC1 1755621445 OHGGLGISSAFRKJ-AAEUAGOBSA-N 313.398 -0.830 30 20 DBED C=CCCC(=O)N[C@@H](C)[C@@H](C)NC(=O)Cn1ncn(C)c1=O 1755954544 MPXFKCVNLLCIOW-WDEREUQCSA-N 309.370 -0.443 30 20 DBED C=CCOCC(=O)N[C@@H](C)C1CN(C(=O)[C@H]2CCC(=O)NC2)C1 1756134750 LAPVCKVFTVWDKY-RYUDHWBXSA-N 323.393 -0.322 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@@H](NC(=O)CNC(=O)CC)[C@H](C)C1 1757061507 XTUITXGQLHWGQO-JHJVBQTASA-N 323.393 -0.486 30 20 DBED CN1CCN(C(=O)CNC(=O)Cc2cccc(C#N)c2)CC1 1772476704 QDLPAUIDXKGEJY-UHFFFAOYSA-N 300.362 -0.009 30 20 DBED NS(=O)(=O)CCNN=Cc1cc(Cl)ncc1C(=O)O 1776047099 VAUKFQWYEQQEML-UHFFFAOYSA-N 306.731 -0.355 30 20 DBED C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2nc[nH]n2)C1 1777774655 FACGVLLGXJRSAQ-IAQYHMDHSA-N 317.349 -0.435 30 20 DBED C=CCC(=O)N1CC[C@]2(C1)CN(C(=O)CCC(N)=O)CCO2 1783920919 AQQNOSMGNQIROA-HNNXBMFYSA-N 309.366 -0.342 30 20 DBED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C[C@@H]21 1790794375 GADXQEDROGXMQD-SFYOKDCNSA-N 318.373 -0.508 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccn1 1794645439 XOMQCAULGQPIEH-GNXNZQSNSA-N 300.318 -0.687 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)CNC(=O)c1ccccc1 6115919 GWWBODJXBKRURM-UHFFFAOYSA-N 319.317 -0.029 30 20 DBED COC(=O)c1cc(C#N)c(=O)n(CC(=O)N2CCNC2=O)c1 42726441 FRJXIFNYEDKIBN-UHFFFAOYSA-N 304.262 -0.942 30 20 DBED N#CCCN1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 51352042 CUKJNPQKBHPATH-UHFFFAOYSA-N 312.351 -0.402 30 20 DBED C[C@@H](C(=O)N(C)CCC#N)N1CCN(C(=O)CN(C)C)CC1 51762850 ATQXBPSJPZQVPR-ZDUSSCGKSA-N 309.414 -0.547 30 20 DBED Cn1c(NCCOC[C@H]2CCOC2)c(C#N)c(=O)n(C)c1=O 68771188 DOURKXHUEFAMHJ-JTQLQIEISA-N 308.338 -0.579 30 20 DBED CCN(C[C@@H](C)C#N)C(=O)CN1CCN(C(=O)CN(C)C)CC1 128713722 MBZAFJIRFBLEOO-AWEZNQCLSA-N 323.441 -0.300 30 20 DBED COC[C@@](C)(C#N)NC(=O)CN(C)c1ncnc2nc[nH]c12 269515708 DHFQPZBVSNEEPZ-CYBMUJFWSA-N 303.326 -0.166 30 20 DBED C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CCNC(=O)C1 282952001 NKMCGRKLDKRZJR-UHFFFAOYSA-N 306.370 -0.071 30 20 DBED C=C[C@H](CO)NC(=O)N[C@H]1CCCN(c2nccn(C)c2=O)C1 291599910 QNDWZMYCZKONGW-NEPJUHHUSA-N 321.381 -0.405 30 20 DBED C#Cc1ccccc1CC(=O)N1CCN(S(=O)(=O)NC)CC1 298926248 MNVGKYKPRVLYBO-UHFFFAOYSA-N 321.402 -0.181 30 20 DBED CN1C(=O)CC[C@H](NC(=O)c2cccc(C#CCO)c2)C1=O 316282127 HOZNHXBIIWGAJA-ZDUSSCGKSA-N 300.314 -0.092 30 20 DBED O=C(C/N=C(/O)Nc1ccn(CC(F)F)n1)N1CCOCC1 330674724 GMTGOOYIFCTSPZ-UHFFFAOYSA-N 317.296 0.333 30 20 DBED Cc1nc(S(=O)(=O)NCC(=O)N(CC#N)C2CC2)cn1C 331405872 AEZFXRQVSSDEQV-UHFFFAOYSA-N 311.367 -0.479 30 20 DBED CCN(CCC#N)S(=O)(=O)N[C@@H](C)CS(=O)(=O)CC 336939748 INHXWZWRSDHOOJ-JTQLQIEISA-N 311.429 -0.120 30 20 DBED CCN1CCCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 337054487 AJQKHBROIQHESO-LBPRGKRZSA-N 302.400 -0.517 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CCC[C@H](C(=O)NC)C1 337054703 AONMPAQXGADQNC-NSHDSACASA-N 302.400 -0.075 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCS(=O)(=O)C[C@@H]1C 337081426 YKLFOWKBJHPMGI-MNOVXSKESA-N 323.440 -0.168 30 20 DBED Cc1nc(NC(=O)C(=O)NCC#Cc2cccc(F)c2)nn1C 340425986 ARCUGSZMIHHOHA-UHFFFAOYSA-N 315.308 0.369 30 20 DBED C[C@@H]1CCNC(=O)[C@H]1NCCS(=O)(=O)c1ccc(C#N)cn1 343938898 LPPDNWJNFXMBCI-MFKMUULPSA-N 322.390 -0.159 30 20 DBED C[C@H]1C(=O)Nc2cc(C(=O)NCC(=O)NCC#N)ccc2N1C 344117328 OQFYRKRHJFZAPB-VIFPVBQESA-N 315.333 -0.167 30 20 DBED COC(=O)[C@@]1(NCC(=O)N(CCC#N)CCC#N)CCOC1 348066026 AWKFXJBQRPKRRE-CQSZACIVSA-N 308.338 -0.436 30 20 DBED COC(=O)CN(CC#N)CC(=O)N1CCC(C(=O)OC)CC1 348482064 BVZJXJWJGYJJPJ-UHFFFAOYSA-N 311.338 -0.603 30 20 DBED C=C[C@@H](CO)NC(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 350173529 CGLAIWCYVWWKJA-NSHDSACASA-N 323.353 -0.590 30 20 DBED COC(=O)c1cc(C(C)(C)NC(=O)NCC(=O)NCC#N)no1 359571484 OGMGNHPCBVLISN-UHFFFAOYSA-N 323.309 -0.365 30 20 DBED CC#CCCNC(=O)C(=O)Nc1cnn(CC(=O)OC)c1C 361939073 WAALENISZYVEOC-UHFFFAOYSA-N 306.322 -0.167 30 20 DBED C=C(C)CN1CCC(NC(=O)C(=O)N2CCNC[C@@H]2C)CC1 419702745 BXBACASOFCVCGU-ZDUSSCGKSA-N 308.426 -0.037 30 20 DBED CC(C)(CC#N)CS(=O)(=O)NC[C@@H]1CN2CCN1CC2 451342816 OJILDBXVVKMFPP-GFCCVEGCSA-N 300.428 -0.155 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@@H](O)c2ccccc2)CC1 491071857 NUXNLRJKKBOKDQ-INIZCTEOSA-N 315.373 -0.386 30 20 DBED C#CCNC(=O)CCN1CCC[C@H](CN(C)S(C)(=O)=O)C1 491203035 RTEQUPSBUKVRJP-CYBMUJFWSA-N 315.439 -0.271 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@H](C)c2cncnc2)CC1 491506003 OABZLOVHJBFLGA-CYBMUJFWSA-N 315.377 -0.526 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@H]3CC(=O)[C@@H]2C3)CC1 491538543 ZSNPKMIJHMFQGZ-BFHYXJOUSA-N 317.389 -0.505 30 20 DBED CC(C)(C(N)=O)N1CCN(C(=O)c2ccc(C#N)cn2)CC1 531354075 JSRRKURVKLKUFT-UHFFFAOYSA-N 301.350 -0.025 30 20 DBED CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCC(=O)NCC#N 553307852 MVCWZEZFHMPHJP-AWEZNQCLSA-N 314.345 -0.284 30 20 DBED CC(C)(C#N)CCS(=O)(=O)N[C@H]1CCN(S(C)(=O)=O)C1 563256913 DVOYUFYRMWWOFL-JTQLQIEISA-N 323.440 -0.120 30 20 DBED CC(C)[C@@](C)(C#N)NC(=O)Cn1cnc2c(c1=O)CCNCC2 581820616 NRHZHNPLVJHQRX-MRXNPFEDSA-N 317.393 -0.014 30 20 DBED N#Cc1cc(F)ccc1S(=O)(=O)N[C@]1(C(N)=O)CCOC1 582132754 XIVAHZYMABWFKJ-GFCCVEGCSA-N 313.310 -0.380 30 20 DBED COCCN(CCC#N)S(=O)(=O)NC(C)(C)CC(=O)O 583087494 ABFUBQUDERRASM-UHFFFAOYSA-N 307.372 -0.064 30 20 DBED C=C[C@](C)(O)C(=O)N1CCC(n2cnc(C(N)=O)c2N)CC1 614497649 SFHJRYQYCMYQNL-AWEZNQCLSA-N 307.354 -0.335 30 20 DBED C=C[C@](C)(O)C(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F 614693751 RDXOJOUGYWPWEV-CBAPKCEASA-N 318.317 -0.138 30 20 DBED CO[C@@H]1CCCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 619713014 LFTRQKIWWOPWDO-NEPJUHHUSA-N 303.384 -0.044 30 20 DBED CC#CC[C@@H](CO)NC(=O)C(=O)N=c1ccn(CCCOC)[nH]1 646952521 AGBZSVXWMRSZAV-LBPRGKRZSA-N 322.365 -0.830 30 20 DBED CC(CO)(CO)C(=O)OCC(=O)NCc1ccc(C#N)cc1 767099816 UZUIQNZCXHYJNG-UHFFFAOYSA-N 306.318 -0.291 30 20 DBED CCNS(=O)(=O)CCNC(=O)NCc1ccc(C#N)cn1 780433081 ZHKKOWIFBPNVKY-UHFFFAOYSA-N 311.367 -0.308 30 20 DBED C#CCOCCNC(=O)C(=O)Nc1ccc(CC(=O)NC)cc1 785163940 GSMZIVAWRHRZAB-UHFFFAOYSA-N 317.345 -0.320 30 20 DBED CS(=O)(=O)CCn1cccc(NC(=O)NCCC#N)c1=O 785891095 ZOQQPTPUERIORN-UHFFFAOYSA-N 312.351 -0.072 30 20 DBED Cc1nn(C)c(N2CCN(C(=O)c3cnn(C)n3)CC2)c1C#N 791001581 XIYRJTOQFVGKPS-UHFFFAOYSA-N 314.353 -0.309 30 20 DBED C#C[C@H](NC(=O)NC1CC(NS(C)(=O)=O)C1)[C@@H]1CCCO1 801052217 YDMFEILWKXTJSP-QQFIATSDSA-N 315.395 -0.453 30 20 DBED C[C@H](C#N)OCCOC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 801844962 OYNIYNYISBQNHD-JKKYPKHBSA-N 322.317 -0.379 30 20 DBED COC(=O)CCCS(=O)(=O)NC(=O)c1cccc(C#N)n1 810583554 BVFLPZZOTCIANL-UHFFFAOYSA-N 311.319 -0.034 30 20 DBED N#Cc1cncc(S(=O)(=O)NC(=O)CN2CCCCC2=O)c1 816095095 PKWYAAYATBMDIF-UHFFFAOYSA-N 322.346 -0.229 30 20 DBED CON(C)C(=O)CSc1nc(N)c(C#N)cc1-c1nn[nH]n1 821696666 LPMQPXUELUUITI-UHFFFAOYSA-N 320.338 -0.173 30 20 DBED C=CCN1CC[C@@H](OC(=O)Cn2nc3n(c2=O)CCCC3)C1=O 845234885 PLPDTWXVKAEWJK-LLVKDONJSA-N 320.349 -0.289 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1CC[C@H](N2CCOC2=O)C1 852432975 RKJNRRHPWZKGSO-QWRGUYRKSA-N 310.354 -0.087 30 20 DBED COC(=O)CNC(=O)COC(=O)COc1cccc(C#N)c1 919416187 ZNUYKVPAJUHFJT-UHFFFAOYSA-N 306.274 -0.231 30 20 DBED C#CC[C@@H](CO)NC(=O)NC[C@@H](N1CCOCC1)C(F)(F)F 922462040 JFEWLOKMVQVBLI-WDEREUQCSA-N 323.315 -0.067 30 20 DBED N#CCc1ccccc1C(=O)OCC(=O)N1CCNC(=O)C1 922969068 QSRRSZHXARFAKT-UHFFFAOYSA-N 301.302 -0.132 30 20 DBED C#Cc1cncc(C(=O)N2CC[C@H](NC(=O)c3cnnn3C)C2)c1 937892210 BYTOSSZDBMMWFZ-ZDUSSCGKSA-N 324.344 -0.164 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CC[C@H](NC(=O)C(N)=O)CC2)nn1 943704597 TUTGYMZZDYBKBN-MGCOHNPYSA-N 320.353 -0.893 30 20 DBED O=C(NC1CCN(C(=O)C#CC2CC2)CC1)c1c[nH]c(=O)cn1 946693205 SUPKWHUAXPPGKL-UHFFFAOYSA-N 314.345 -0.096 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CN2CC(=O)NC2=O)C[C@H]1C 947818710 APMAVZIDJBPEKQ-VXGBXAGGSA-N 306.366 -0.469 30 20 DBED N#CCN1CCOC2(CCN(C(=O)[C@H]3CCNC3=O)CC2)C1 949430556 XQNXXDMARIQKRI-LBPRGKRZSA-N 306.366 -0.661 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2nn3c(c2C)OCCC3)C1 958122117 QENCLGQYBNDBCE-CHWSQXEVSA-N 318.377 -0.370 30 20 DBED C#CCCN1C[C@H](O)[C@H](CNC(=O)c2cnc3n2CCOC3)C1 958151560 JZEYIZCXMZQWMS-OCCSQVGLSA-N 318.377 -0.541 30 20 DBED COCc1cncc(C(=O)NC[C@H]2CN(CC#N)C[C@H]2O)c1 958156615 JRDVKUOCSKXOFA-UONOGXRCSA-N 304.350 -0.226 30 20 DBED C#CCCN1C[C@H](O)[C@H](CNC(=O)c2ccc(C(N)=O)[nH]2)C1 958410118 YJWOHMXXDBBYSU-MFKMUULPSA-N 304.350 -0.841 30 20 DBED N#Cc1cc(C(=O)N[C@H]2[C@@H]3CN(CCn4cncn4)C[C@@H]32)c[nH]1 958617699 IYOJKJZJHRQVSD-WDNDVIMCSA-N 311.349 -0.162 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cc2cscn2)C1 958848950 WLRMVDBWJMMFPM-USWWRNFRSA-N 322.390 -0.125 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H]2CN(C(=O)c3cnn[nH]3)C[C@@H]21 960878341 MQXLBSNGPHSAOP-DVVUODLYSA-N 304.310 -0.984 30 20 DBED C=CCN1C[C@H]2[C@H](NC(=O)[C@@H]3CCc4nnnn4CC3)[C@H]2C1 961843847 CGMAMOMGFHMGML-NMKXLXIOSA-N 302.382 -0.142 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCCO3)C[C@@H]2O)c1 962119993 BRYARZLFMWZCRR-AGIUHOORSA-N 318.333 -0.633 30 20 DBED CO[C@@H](C)C(=O)N1CCOC[C@H]1CNC(=O)c1c[nH]c(C#N)c1 964148064 WGFRWBNFLTVPRS-GXFFZTMASA-N 320.349 -0.122 30 20 DBED C#CCCN1CC[C@@H](C)[C@@H](NC(=O)CN2CCOCC2=O)C1 966751723 LKYLTHZTSQYTQD-KGLIPLIRSA-N 307.394 -0.305 30 20 DBED CC#CCN1CC[C@@H](C)[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1 968417556 GDGREYCVBGTDOP-DGCLKSJQSA-N 305.378 -0.111 30 20 DBED Cc1nnccc1C(=O)N[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1O 969223365 GMYPNOJBGUPYIM-FXAINCCUSA-N 303.322 -0.754 30 20 DBED C#CCOc1ccc(C(=O)N2CC[C@@H](NCC(N)=O)C2)cc1 970199107 RFYDPZNTOGYIDQ-CYBMUJFWSA-N 301.346 -0.012 30 20 DBED N#CCN1CCO[C@]2(CCN(C(=O)[C@@H]3CCNC(=O)CC3)C2)C1 972480696 QLURLLRJJSMUQK-XJKSGUPXSA-N 320.393 -0.270 30 20 DBED Cc1nc(O)[nH]c1C(=O)N[C@H]1[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]21 976680131 HRGHNFNRWMYNCS-WGNDUZGJSA-N 303.322 -0.230 30 20 DBED C=C1CC(C)(C(=O)N2C[C@H]3[C@H](NC(=O)[C@H]4CNC(=O)N4)[C@H]3C2)C1 977086765 ZFBNOCXTVAVPIB-KXNHARMFSA-N 318.377 -0.403 30 20 DBED CC(C)N1CCO[C@H](C(=O)NCC2[C@H]3CN(CC#N)C[C@H]23)C1 978642270 ULIBYVSZDYNBPS-KFWWJZLASA-N 306.410 -0.087 30 20 DBED N#CCN[C@H]1CCC[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)C1 981457481 PDZKUKTXNHASNE-UWVGGRQHSA-N 315.337 -0.428 30 20 DBED C#CCN(C)C1CCN(C(=O)[C@@H]2CCN(C)S2(=O)=O)CC1 985697822 VFXKBNZCPIXWHH-ZDUSSCGKSA-N 313.423 -0.424 30 20 DBED C#CCN[C@@H]1CCN(C(=O)CCc2nnc(O)nc2O)[C@@H]1C 986462458 MCLNOVCFTTYUNF-NXEZZACHSA-N 305.338 -0.572 30 20 DBED C[C@@H]1C[C@@H](NCC#N)CN1C(=O)c1cc(=O)n2[nH]cnc2n1 989672509 LPEMHROSPGPTDR-RKDXNWHRSA-N 301.310 -0.866 30 20 DBED N#CCN[C@@H]1CCC[C@H]2CN(C(=O)CN3CC(=O)NC3=O)C[C@H]21 992865815 ZRAJIEWYIITHJI-QJPTWQEYSA-N 319.365 -0.722 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CN(C(=O)c3cnn(C)n3)C[C@@]2(C)C1 993342530 DUSHZIJSJGABSH-ZIBATOQPSA-N 316.365 -0.105 30 20 DBED C=CCNC1CCN(C(=O)Cn2ncn3nccc3c2=O)CC1 997055481 XRBQNWGHCCNHHQ-UHFFFAOYSA-N 316.365 -0.342 30 20 DBED C#CCNC1CCN(C(=O)C2CC3(C2)NC(=O)NC3=O)CC1 997096296 UPNWDKUNPGNPOT-UHFFFAOYSA-N 304.350 -0.812 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)c2cnn(C)c2N)C1 1000003732 BMVUOHBZUZPFNG-PWSUYJOCSA-N 319.365 -0.466 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)C2(C(N)=O)CC2)C1 1000031798 BRKNXGNUDHEUCV-MNOVXSKESA-N 307.350 -0.830 30 20 DBED C=CCCn1cc(C(=O)NC2[C@H]3CN(C(=O)COC)C[C@H]23)nn1 1013160151 CXUSCYYLCUMJCD-QWRGUYRKSA-N 319.365 -0.313 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCN(CC(=O)N(C)C)C2)nn1 1015810238 CTTDYZVDVDVXRT-NSHDSACASA-N 306.370 -0.644 30 20 DBED N#Cc1ccc(C(=O)NCC2CN(CC(=O)NC3CC3)C2)[nH]1 1031621209 VHEHKMFEESDFOM-UHFFFAOYSA-N 301.350 -0.173 30 20 DBED C#CCN1CCCC[C@H](NC(=O)Cn2ccc(O)nc2=O)C1 1034292545 GJZPYNYHRSIPAL-LBPRGKRZSA-N 304.350 -0.447 30 20 DBED C#CCCN1CCO[C@H](CNC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 1035514191 KJRYLNMARUJXBH-HZSPNIEDSA-N 307.394 -0.272 30 20 DBED C=C(C)CN1CCO[C@H](CNC(=O)c2cn(C)c(=O)n2C)C1 1035615959 CEOLWKBBRJMCLH-GFCCVEGCSA-N 308.382 -0.270 30 20 DBED C[C@@H]1CN(C(=O)CN2C(=O)NC(=O)C2(C)C)CC[C@@H]1NCC#N 1036247976 QOFAEHLHNGEWPB-MNOVXSKESA-N 321.381 -0.333 30 20 DBED C#CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)CN1C(=O)NC(=O)C1(C)C 1037653872 SDEUWSYORJOSNL-JFGNBEQYSA-N 304.350 -0.861 30 20 DBED CC[C@H]1CN(C(=O)C2CC(=O)NC(=O)C2)CC[C@H]1NCC#N 1037944095 DTLHPMDOAUMRHK-CMPLNLGQSA-N 306.366 -0.221 30 20 DBED O=C(C#CC1CC1)NC[C@@]1(O)CCN(C(=O)[C@@H]2CCOC2)C1 1039677417 HRUACUDHYNNUES-CJNGLKHVSA-N 306.362 -0.484 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)c2n[nH]cc2F)C1 1040762155 ZPVQWSXDTSCDEO-SDBXPKJASA-N 309.301 -0.598 30 20 DBED C[C@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)Cn2ccnc2)C1 1040771310 XQWFNPHRAOTWGO-RISCZKNCSA-N 305.338 -0.878 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)c2cc(C)[nH]n2)C1 1041726706 DLKVKNVAULYMNW-UHFFFAOYSA-N 304.350 -0.175 30 20 DBED Cc1cc(C(=O)NCC2(O)CN(C(=O)[C@@H](C)C#N)C2)n(C)n1 1041746771 MYBJEEYFXVITRP-VIFPVBQESA-N 305.338 -0.809 30 20 DBED CN(C(=O)c1cc(C#N)c[nH]1)C1CN([C@H]2CCCNC2=O)C1 1042589700 MJXMMJJHESTSQQ-ZDUSSCGKSA-N 301.350 -0.079 30 20 DBED C[C@@H]1CN(C(=O)c2cc[n+]([O-])cc2)C[C@H]1N=c1cc[nH]c(C#N)n1 1043056845 KJRUEOYZNJPPHU-DGCLKSJQSA-N 324.344 -0.024 30 20 DBED N#Cc1nccnc1N1C[C@H](O)[C@H](NC(=O)c2ccccn2)C1 1043823541 MTYFBFSVZWMUHL-OLZOCXBDSA-N 310.317 -0.277 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)CN2CCCC2=O)C1 1044478870 NWCNFFNJRXNXLE-UHFFFAOYSA-N 323.393 -0.490 30 20 DBED C=CCCCC(=O)NCC1(O)CN(C(=O)Cn2cncn2)C1 1045459209 YTILBEVGULIMJL-UHFFFAOYSA-N 307.354 -0.676 30 20 DBED CCn1ccc(CC(=O)N2CC(O)(CNC(=O)[C@@H](C)C#N)C2)n1 1045560371 VPDZIPOZUHIUEE-NSHDSACASA-N 319.365 -0.705 30 20 DBED O=C(NCC1(O)CN(C(=O)C#CC2CC2)C1)[C@@H]1C[C@]12CCOC2 1046583566 GCJMQPRZUZLKSI-BBRMVZONSA-N 318.373 -0.484 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2cc(OC)n(C)n2)C1 1047452270 GJVRVPONVWTPJN-STQMWFEESA-N 306.366 -0.431 30 20 DBED N#CCN1C[C@H]2CN(C(=O)c3cccn4c(O)nnc34)C[C@H]2C1 1049167988 DNSYZQQWKPMBFK-PHIMTYICSA-N 312.333 -0.038 30 20 DBED C[C@@H](NC(=O)C#CC1CC1)[C@@H]1CCN(C(=O)CNC(N)=O)C1 1049984667 VTICWJCBOAYSKA-ZYHUDNBSSA-N 306.366 -0.579 30 20 DBED CC#CCN1C[C@@H]2CCCN(C(=O)CN3CC(=O)NC3=O)[C@@H]2C1 1050165446 BFYMXLQHLXKVGQ-QWHCGFSZSA-N 318.377 -0.516 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)[C@H]1CC(=O)N(CC(C)C)C1 1050945265 KCJDEXSAHGFDIK-LSDHHAIUSA-N 321.421 -0.059 30 20 DBED N#CCN1CCOC[C@H]1CNC(=O)[C@H]1CCc2cncn2C1 1050991102 UTLNAZNAKFOKLQ-GXTWGEPZSA-N 303.366 -0.214 30 20 DBED C=C(C)CN1CCOC[C@H]1CNC(=O)C1CC(=O)NC(=O)C1 1051163871 KAUNFKOUGUCQLH-GFCCVEGCSA-N 309.366 -0.568 30 20 DBED CCn1nc(C(=O)NC[C@@H]2COCCN2CC#N)ccc1=O 1051172402 ITOKFJJVLAMRND-LLVKDONJSA-N 305.338 -0.783 30 20 DBED N#CCN1CCOC[C@@H]1CNC(=O)c1ccc2oc(O)nc2n1 1051207691 UUGKOSVPBTWHJI-VIFPVBQESA-N 317.305 -0.117 30 20 DBED N#CCN1CCN([C@@H]2CCN(C(=O)c3ccc(O)nn3)C2)CC1 1051977273 SADNDDOUNLBTPN-GFCCVEGCSA-N 316.365 -0.462 30 20 DBED CNC(=O)NCC(=O)NC[C@H]1CN(C(=O)C#CC(C)C)C[C@@H]1C 1052547563 HECUYDPGCFFGCX-STQMWFEESA-N 322.409 -0.215 30 20 DBED C=CCCN1CC2(C1)CN(C(=O)c1cn(C)c(=O)cn1)CCO2 1053352690 PQBABWMLRQHIHQ-UHFFFAOYSA-N 318.377 -0.117 30 20 DBED C=CCN1CC2(C1)CN(C(=O)[C@H]1CN(C(C)=O)CCO1)CCO2 1053521793 HEJFBYOMMUUDMQ-CQSZACIVSA-N 323.393 -0.667 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)c3cn(CC)nn3)CO2)C1 1053969464 OJIRLNZDQINODC-GFCCVEGCSA-N 303.366 -0.106 30 20 DBED N#Cc1nccc(N2CCN(C(=O)CO[C@H]3CCOC3)CC2)n1 1055910578 DQENFOCJHUFKFL-LBPRGKRZSA-N 317.349 -0.198 30 20 DBED N#Cc1cnc(N2CCN(C(=O)[C@H]3CCNC3=O)CC2)cn1 1055974032 RGMASNHYEAUJNP-NSHDSACASA-N 300.322 -0.867 30 20 DBED C[C@@H](C#N)C(=O)N[C@@]1(CO)CCCN(C(=O)Cn2cccn2)C1 1056093836 OCXAHFDXDJVHLQ-WFASDCNBSA-N 319.365 -0.488 30 20 DBED N#Cc1nccc(N2C[C@H]3[C@H](NC(=O)Cc4cc[nH]n4)[C@H]3C2)n1 1056164454 VOSCNFIOQNDQIA-HBYGRHMLSA-N 309.333 -0.135 30 20 DBED NC(=O)NCC(=O)N1CC[C@@H]2[C@H]1CCCN2C(=O)C#CC1CC1 1056389367 KOSLJKOJDNTBCB-CHWSQXEVSA-N 318.377 -0.340 30 20 DBED CC(C)(C(N)=O)C(=O)N1CC[C@@H](Nc2ccc(C#N)nn2)C1 1056720524 UMUSBSVXGIYIFX-SNVBAGLBSA-N 302.338 -0.127 30 20 DBED Cc1cc(C#N)nc(N[C@@H]2CCN(C(=O)[C@H]3CCNC3=O)C2)n1 1056744768 HKZOARBCFWKVPT-PWSUYJOCSA-N 314.349 -0.194 30 20 DBED CN(c1cncc(C#N)n1)[C@@H]1CCN(C(=O)c2cn(C)nn2)C1 1056917009 MINATLQLVPNCPW-LLVKDONJSA-N 312.337 -0.172 30 20 DBED Cc1nn(C)cc1CC(=O)N(CCO)CCNC(=O)[C@@H](C)C#N 1057905752 QSTDTHDVWKCZKK-NSHDSACASA-N 321.381 -0.632 30 20 DBED Cn1cc(C(=O)N[C@H]2CCCN(c3cnc(C#N)cn3)C2)nn1 1058153665 HQLSVWCAECGNOZ-JTQLQIEISA-N 312.337 -0.124 30 20 DBED C=CC(C)(C)C(=O)N(CCO)CCNC(=O)c1[nH]nnc1C 1058305968 OYACWOVFWDIQSS-UHFFFAOYSA-N 309.370 -0.124 30 20 DBED Cc1cc(N2CC[C@H](NC(=O)c3nnn(C)n3)C2)c(C#N)cn1 1058516686 QISVCBMLTSGFHG-NSHDSACASA-N 312.337 -0.206 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 1058916757 NDHQOMOMFROVCA-LOWDOPEQSA-N 309.366 -0.349 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CC[C@H](CNC(=O)COC)CC1 1060713397 NJNBCWQDPMLBHS-JOCQHMNTSA-N 323.393 -0.437 30 20 DBED C=CCCC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1CCCNC1=O 1061409980 IAHIKNQGWGVSCD-QWHCGFSZSA-N 323.393 -0.178 30 20 DBED CC(C)C#CC(=O)N1CCOC[C@@H]1CNC(=O)[C@H]1CCC(=O)N1 1061416561 MFLCGFBVFCNPIO-QWHCGFSZSA-N 321.377 -0.732 30 20 DBED C=CCCC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1CCC(=O)N1 1061737420 IWPSZDTZMOOHML-RYUDHWBXSA-N 309.366 -0.425 30 20 DBED CS(=O)(=O)CC(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(C#N)nn1 1062447915 NJKWTMRDZXGYPB-QWRGUYRKSA-N 321.362 -0.818 30 20 DBED N#Cc1c[nH]c(C(=O)NCC2(NC(=O)CNC(N)=O)CCC2)c1 1062767489 ASEPGWYTSJKOOU-UHFFFAOYSA-N 318.337 -0.677 30 20 DBED N#Cc1cncc(NCC[C@@H]2CCCN(C(=O)C(N)=O)C2)n1 1063292910 JTXZWRXRMAMSJG-JTQLQIEISA-N 302.338 -0.126 30 20 DBED COCC(=O)NCCC(=O)NC1(CNC(=O)[C@@H](C)C#N)CCC1 1064310188 GGXQGYLEQCKNJX-NSHDSACASA-N 324.381 -0.546 30 20 DBED C[C@H]1C[C@H](N=c2cc[nH]c(C#N)n2)CCN1C(=O)c1nc[nH]n1 1064793936 ZIKQLPSLXBFHBI-VHSXEESVSA-N 312.337 -0.007 30 20 DBED C=C(C)CCC(=O)N1CCO[C@H](CNC(=O)[C@@H]2CCC(=O)N2)C1 1065224234 NBJDVSGMFDLNTL-OLZOCXBDSA-N 323.393 -0.035 30 20 DBED C=CC(C)(C)C(=O)NC[C@@H]1CN(C(=O)c2cnn(C)n2)CCO1 1065347513 QSHZONQUNBDIHM-LLVKDONJSA-N 321.381 -0.016 30 20 DBED CN(C(=O)[C@H]1CCCO1)[C@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1065565859 BFOPRHSBEXOKAA-RWMBFGLXSA-N 317.349 -0.465 30 20 DBED CN(C(=O)c1cnn[nH]1)[C@H]1CN(c2ncccc2C#N)C[C@@H]1O 1065635364 LTEYNDHSKXEYHL-RYUDHWBXSA-N 313.321 -0.607 30 20 DBED C[C@@H](Nc1nccnc1C#N)[C@H]1CCN(C(=O)CC(N)=O)C1 1065684530 QWMZJSAGNBXIPK-ZJUUUORDSA-N 302.338 -0.127 30 20 DBED COCC(=O)N1CCO[C@H](CNc2nc(C)cc(C#N)n2)C1 1066592280 RCSVABPVNIMKRK-GFCCVEGCSA-N 305.338 -0.058 30 20 DBED C=CCCC(=O)N1CCOC2(C1)CN(C(=O)[C@H]1CCC(=O)N1)C2 1068346171 JHCITTRGRFOTEQ-GFCCVEGCSA-N 321.377 -0.329 30 20 DBED CC(C)(C)C#CC(=O)N[C@@H]1COC2(C1)CN(C(=O)C(N)=O)C2 1068865707 ZXBAWJRSLILGPD-JTQLQIEISA-N 307.350 -0.993 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1COC2(C1)CN(C(=O)Cc1cc[nH]n1)C2 1069001874 AGZXOWOKXZZWQV-PWSUYJOCSA-N 317.349 -0.402 30 20 DBED C=CCN[C@@H]1CN(C(=O)[C@@H]2COCCO2)C[C@H]1c1cn(C)cn1 1070472618 PPKKOUDOOVWGIT-CFVMTHIKSA-N 320.393 -0.095 30 20 DBED CN1CCC[C@@H]1C(=O)N1C[C@@H](NCC#N)[C@H](c2cn(C)cn2)C1 1070475104 DLZWADCSIKELRM-NWANDNLSSA-N 316.409 -0.078 30 20 DBED Cn1cnc([C@@H]2CN(C(=O)c3cnn(C)n3)C[C@H]2NCC#N)c1 1070546548 CBUZTYLUEUMALI-GXFFZTMASA-N 314.353 -0.730 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)Cc4nnc(C)o4)C[C@@]3(C1)O2 1070796717 MCGCRUFASBTPLE-WOSRLPQWSA-N 316.361 -0.145 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CCC(=O)N2C)C1 1071112899 IAKKHMFENWGCMW-UTUOFQBUSA-N 306.366 -0.126 30 20 DBED C=C(C)CN1CC[C@]2(C1)CN(C(=O)Cn1cnnn1)C[C@@H](C)O2 1071133396 ASTVEUZJWSYKJQ-HIFRSBDPSA-N 320.397 -0.059 30 20 DBED C[C@H]1CN(C(=O)CCc2cnn[nH]2)C[C@@]2(CCN(CC#N)C2)O1 1071211586 KIHZVMNBHCQVFV-WFASDCNBSA-N 318.381 -0.047 30 20 DBED C#CCN1C[C@@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)CC[C@H]1C 1071966463 FJGQVUNLBCZJOC-NEPJUHHUSA-N 320.393 -0.081 30 20 DBED C#CCOCCC(=O)N1C[C@H](C)[C@H](NC(=O)CCCC(N)=O)C1 1072094421 UDLKYVHSKTXUOT-QWHCGFSZSA-N 323.393 -0.355 30 20 DBED C#CCCCC(=O)N[C@H]1CN(C(=O)CCn2cnnn2)C[C@@H]1C 1072599038 FATWVXXBBMNBJW-STQMWFEESA-N 318.381 -0.170 30 20 DBED C=C(C)C[C@@H](C)C(=O)NCC1(O)CCN(C(=O)C(N)=O)CC1 1074703790 SCBOTFVGLRKZEX-LLVKDONJSA-N 311.382 -0.456 30 20 DBED C#Cc1cncc(C(=O)N[C@@H](C)CCNC(=O)CNC(N)=O)c1 1075546645 BOLCZCXDUKNDKN-JTQLQIEISA-N 317.349 -0.644 30 20 DBED C[C@@H](CCNC(=O)CN1CCOCC1=O)NC(=O)[C@@H](C)C#N 1077024172 LWCGAAAFPRUHHP-QWRGUYRKSA-N 310.354 -0.984 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CN(CC)CCO2)C1 1078209704 KWDWBZPESZGPOP-UPJWGTAASA-N 317.817 -0.379 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)c2ccc(N(C)C)cn2)C1 1078246172 OVNMSRDINOKPDH-HUUCEWRRSA-N 302.378 -0.054 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)Cc2ccc(C(N)=O)cc2)C1 1078254851 SCZBXFRVINGJAZ-HUUCEWRRSA-N 315.373 -0.487 30 20 DBED C=CCOCC(=O)N(CC)C1CN(C(=O)[C@@H]2CC[C@@H]2C(N)=O)C1 1079493823 IJJFKZGEIIBETI-QWHCGFSZSA-N 323.393 -0.240 30 20 DBED C=C[C@](C)(O)CC(=O)N(CC)C1CN(C(=O)c2cnnn2C)C1 1079684918 UVRRIEOQOUFNRU-HNNXBMFYSA-N 321.381 -0.185 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)C2CN(C(C)=O)C2)C[C@@H]1O 1081335232 JCVJORRSVJKGIQ-JSGCOSHPSA-N 323.393 -0.634 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)Cc2cncnc2)C[C@@H]1O 1081335340 KFVKLIUNHYGLGT-KGLIPLIRSA-N 318.377 -0.079 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2c[nH]nc2C)C[C@H]1O 1081340439 CNOOVXSCTAKPEC-DGCLKSJQSA-N 322.365 -0.530 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)CCCF)C[C@@H]1O 1081340666 GMSFWUYIJRYKIS-NEPJUHHUSA-N 302.346 -0.126 30 20 DBED CC(C)C#CC(=O)N1C[C@H](CNC(=O)c2cnon2)[C@@H](O)C1 1081684649 IVPJAKSNIZCQIX-JQWIXIFHSA-N 306.322 -0.722 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CCCCN1C(=O)[C@@H]1CCC(=O)N1 1082193386 BTZYJSHXTPKSHB-WOPDTQHZSA-N 306.366 -0.078 30 20 DBED Cc1cc(CC(=O)N2CCO[C@@H]3CN(CC#N)C[C@@H]32)n(C)n1 1083141873 GKOURMDGYPSQEU-UONOGXRCSA-N 303.366 -0.294 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CCN(C(=O)CC)C1 1083242529 MBPPALJWRXDAQN-SOUVJXGZSA-N 319.405 -0.210 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)c2ccc3nnc(O)n3c2)C1 1083857211 LJVLTNBGDWDALJ-NEPJUHHUSA-N 315.333 -0.767 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)c2nccn3cc(C)nc23)C1 1083929787 LVYFONRFXINAJR-OLZOCXBDSA-N 313.361 -0.164 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCc3nnc(C)n3C2)C1 1084084452 VKFCELURYKFVBN-UPJWGTAASA-N 305.382 -0.504 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)c2cc(C(N)=O)ccn2)C1 1084131992 CFDVVJFPVWMVQK-NEPJUHHUSA-N 324.768 -0.292 30 20 DBED C=CCN1CC[C@@H]2CN(C(=O)[C@H]3CCN(C)S3(=O)=O)[C@@H]2C1 1084715053 LVJYKKBYJHRPHF-JHJVBQTASA-N 313.423 -0.261 30 20 DBED CN(C[C@H]1CCN1Cc1nnnn1C)C(=O)c1cc(C#N)c[nH]1 1085534408 JQDVBTUGKWSSLR-LLVKDONJSA-N 314.353 -0.244 30 20 DBED CC(=O)NCC(=O)N[C@H]1CC[C@H](C)N(c2ccc(C#N)nn2)C1 1089115516 HWDFJFSUYNDSHE-GWCFXTLKSA-N 316.365 -0.042 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2cc(=O)c(OC)co2)[C@@H](O)C1 1090432531 LIBKQBKEAGUZJR-YPMHNXCESA-N 320.345 -0.163 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2cc(C(N)=O)co2)[C@H](O)C1 1090567382 UMDZWIOTUVWHMT-VXGBXAGGSA-N 305.334 -0.433 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2cc3ncccn3n2)[C@H](O)C1 1090661029 XVPAPLQXNHMCDH-GXTWGEPZSA-N 313.361 -0.082 30 20 DBED CC(=O)N1CCC(C(=O)N[C@@H]2CCN(CC#N)C[C@@H]2O)CC1 1090796911 RWLCNAFEUVREAF-KGLIPLIRSA-N 308.382 -0.680 30 20 DBED C[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1NC(=O)C1(C(N)=O)CC1 1090827612 BZRWPYIDVTUBTF-NXEZZACHSA-N 314.349 -0.445 30 20 DBED CO[C@H](C)C(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1OC 1090865000 PQQIYNDHYLKQPL-YUSALJHKSA-N 305.338 -0.297 30 20 DBED C#CCN1CCC(C(=O)NCC2CC(N[C@@H](C)C(N)=O)C2)CC1 1091377250 DSZYNXJDBWTGFI-OPFPJEHXSA-N 320.437 -0.310 30 20 DBED CN(C)CCC(=O)N[C@@H]1CCN(c2ccnc(C#N)n2)C[C@@H]1O 1092173488 LJEPAKYEEWSNGL-NEPJUHHUSA-N 318.381 -0.644 30 20 DBED Cn1cc(C(=O)N2C[C@H]3CN(CC#N)C[C@@]3(C)C2)n(C)c1=O 1092308069 DFDRGSZCTHDXSW-ABAIWWIYSA-N 303.366 -0.359 30 20 DBED Cc1nsc(NCCNC(=O)C2CS(=O)(=O)C2)c1C#N 1093909536 ANYJYOSSDLKCKJ-UHFFFAOYSA-N 314.392 -0.104 30 20 DBED C#CCN1CC(n2cc(CNC(=O)c3oncc3C)nn2)C1 1094332182 NCHSNRCVKNQOCY-UHFFFAOYSA-N 300.322 -0.006 30 20 DBED Cn1cccc(C(=O)NCCCN=c2cc[nH]c(C#N)n2)c1=O 1094520788 LWYHIQXLPIBFME-UHFFFAOYSA-N 312.333 -0.299 30 20 DBED Cc1cc(C(=O)N2CCN(CC#N)[C@H]3CS(=O)(=O)C[C@H]32)no1 1094603179 GUOIXZSVVPSQFC-NWDGAFQWSA-N 324.362 -0.570 30 20 DBED CN1C[C@H](C(=O)NCCCNc2cncc(C#N)n2)NC1=O 1094709406 PMYIQFITCJBSOQ-SNVBAGLBSA-N 303.326 -0.710 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)c3cncn3C)CC2=O)C1 1094753895 VYQBFHMCUIDJOP-NSHDSACASA-N 301.350 -0.932 30 20 DBED N#CCN1CC(N2C[C@@H](NC(=O)c3ccc(O)nc3)CC2=O)C1 1094813372 HGYRRUUARNFJKW-NSHDSACASA-N 315.333 -0.674 30 20 DBED CNC(=O)NCC(=O)N1CC[C@@H](Nc2cnc(C#N)cn2)C1 1095084744 AGLHREKOJPGKOG-SECBINFHSA-N 303.326 -0.710 30 20 DBED C#CCNC(=O)CC(=O)NCCCN(C)c1ccc(C)nn1 1095541042 BHHNMNYQYQJYOG-UHFFFAOYSA-N 303.366 -0.133 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cn(C)c(=O)n(C)c1=O 1096097654 IVKUZYRTWYRVCF-WXHSDQCUSA-N 316.361 -0.948 30 20 DBED N#Cc1nccc(N2CCC[C@@H](NC(=O)CNC(N)=O)C2)n1 1096135805 ALFFXUOUOJVBTM-SECBINFHSA-N 303.326 -0.898 30 20 DBED N#Cc1nccnc1N[C@@H](CNC(=O)[C@H]1CCC(=O)N1)C1CC1 1096597113 BUHKDGNWTXNZTN-PWSUYJOCSA-N 314.349 -0.066 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](Nc2nccc(C)n2)C1 1096934252 GJHSWFUKRAFZKF-LBPRGKRZSA-N 301.350 -0.063 30 20 DBED C[C@H](CNC(=O)CNC(=O)C1CC1)Nc1ccc(C#N)nn1 1097687302 VYNLUGJJLOFMEG-SECBINFHSA-N 302.338 -0.209 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCCC(=O)N1)N=c1cc[nH]c(C#N)n1 1098118117 VDHMEXZZQJNKFG-VHSXEESVSA-N 302.338 -0.645 30 20 DBED C[C@@H](CNC(=O)[C@]1(C)CNC(=O)C1)N=c1cc[nH]c(C#N)n1 1098153586 UYQSGHFQYVQPIW-XPTSAGLGSA-N 302.338 -0.787 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(N(CCO)CCO)CC1 1098482431 GBAMSTRISVUXRG-CABCVRRESA-N 312.410 -0.145 30 20 DBED C[C@H](CCNC(=O)[C@@H]1CCNC1=O)N=c1cc[nH]cc1C#N 1099617299 SUFDEMVHPBSZDP-PWSUYJOCSA-N 301.350 -0.182 30 20 DBED C=CCCCCCN1CC[C@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 1099837900 FGKSBYJWLQPUDV-KBPBESRZSA-N 322.413 -0.029 30 20 DBED N#CCN1CC[C@H](NC(=O)C(=O)Nc2ccccc2)[C@H](O)C1 1099904139 QZEINJHKLRCTIX-QWHCGFSZSA-N 302.334 -0.300 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)CC2(C)CC2)[C@H](O)C1 1099929119 TUZCBZMMMXXPSD-QWHCGFSZSA-N 307.394 -0.523 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2coc(OC)n2)[C@H](O)C1 1099930201 BXTSVODQMCGHQT-WCQYABFASA-N 323.349 -0.502 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CCc2nc(C)no2)[C@H](O)C1 1099942859 YAVDZJBIHSIEBK-CHWSQXEVSA-N 306.366 -0.115 30 20 DBED N#CCNC(=O)CNC1CC(CNC(=O)CC2(O)CCC2)C1 1100311451 QFMLPVMOKLUXFS-UHFFFAOYSA-N 308.382 -0.584 30 20 DBED CCN(CCNC(=O)C1CS(=O)(=O)C1)c1cnc(C#N)cn1 1100624217 ZOEQTBLPLMCTLZ-UHFFFAOYSA-N 323.378 -0.665 30 20 DBED N#Cc1cncc(N2CCC[C@H]2CNC(=O)Cn2cncn2)n1 1100832921 BQWFKDPPSOJJPF-LBPRGKRZSA-N 312.337 -0.275 30 20 DBED C#CCCNC1CC(CNC(=O)CS(=O)(=O)N(C)C)C1 1100930332 YTLUDQZJDGEEIZ-UHFFFAOYSA-N 301.412 -0.615 30 20 DBED N#Cc1cncc(N2CC[C@@H](CNC(=O)Cc3nc[nH]n3)C2)n1 1101011890 MTCNYBXIVJTRKM-JTQLQIEISA-N 312.337 -0.348 30 20 DBED C#CCCN1C[C@@H](C)[C@H](CNC(=O)[C@H](C)NS(C)(=O)=O)C1 1102404788 MPGYGLMRJBTRBO-FRRDWIJNSA-N 315.439 -0.369 30 20 DBED CC(=O)N(C)CC(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1C#N 1102537744 UNYMUMHWQIBYST-RYUDHWBXSA-N 314.349 -0.384 30 20 DBED CC[C@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)Nc1cnc(C#N)cn1 1103261299 MLVCAELIFIKCFV-KOLCDFICSA-N 317.353 -0.321 30 20 DBED CCc1nc(C#N)cc(NC[C@H](C)CNC(=O)CNC(N)=O)n1 1103869642 HIDKXMCLUDONPF-VIFPVBQESA-N 319.369 -0.257 30 20 DBED CNC(=O)NCCC(=O)NC[C@H](C)CN=c1cc[nH]cc1C#N 1103929070 OCLDYMHKPPMGMV-LLVKDONJSA-N 318.381 -0.142 30 20 DBED C[C@H](CNC(=O)[C@@H]1CCNC1=O)CNc1cncc(C#N)n1 1104157201 HSLFFAASGSGPOD-GXSJLCMTSA-N 302.338 -0.351 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)c1c[nH]c(=O)cn1 1104167453 WMJCGHALTCMJSQ-VIFPVBQESA-N 313.321 -0.669 30 20 DBED C[C@@H](CNC(=O)c1nnn(C)n1)CNc1cncc(C#N)n1 1104182353 YAYXFASDBDQPFZ-MRVPVSSYSA-N 301.314 -0.650 30 20 DBED CCn1nccc1C(=O)NC[C@H](O)CNc1nccnc1C#N 1105800746 ZEXTVOJCZFBPJS-SNVBAGLBSA-N 315.337 -0.233 30 20 DBED C[C@H](C(=O)NC[C@H](O)CN=c1cc[nH]cc1C#N)n1cncn1 1105828216 AWMHOGMAIWHJDU-ZYHUDNBSSA-N 315.337 -0.883 30 20 DBED N#Cc1c(F)cccc1NC[C@@H](O)CNC(=O)[C@@H]1COC(=O)N1 1105835662 RSDTTWSHKFMWHX-PELKAZGASA-N 322.296 -0.305 30 20 DBED Cc1n[nH]c(C)c1C(=O)NC[C@H](O)CN=c1cc[nH]cc1C#N 1105932875 ZLRYAJHCUKCDDD-GFCCVEGCSA-N 314.349 -0.082 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H](O)CNC(=O)c1cncnc1O 1106006832 FCOLBCSKNQBNAT-JTQLQIEISA-N 314.305 -0.926 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](C)[C@H](CN[C@@H](CC)C(N)=O)C1 1106035829 YUCRZUNYTJCERU-UPJWGTAASA-N 322.409 -0.926 30 20 DBED Cc1c[nH]c(C(=O)N2C[C@@H](C)[C@H](CNCC(=O)NCC#N)C2)n1 1106748772 OOVYJCDJYBHMLS-ZYHUDNBSSA-N 318.381 -0.344 30 20 DBED C#CCN1CC(n2cc(CNC(=O)CCn3ccnn3)nn2)C1 1107162949 VVCVEPBDLDSHJI-UHFFFAOYSA-N 314.353 -0.934 30 20 DBED CC(C)CC(=O)NC[C@@]1(C)CN(CC(=O)NCC#N)CCO1 1107700668 OUTOPSLIEBHWNL-HNNXBMFYSA-N 310.398 -0.121 30 20 DBED C[C@H](C(N)=O)N1CCO[C@@](C)(CNC(=O)c2cc(C#N)c[nH]2)C1 1107850532 LPQICPYNVSDGPL-BMIGLBTASA-N 319.365 -0.419 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@]1(C)CN(CC#CCOC)CCO1 1107940115 OFPYUGVSAHCXEG-WBVHZDCISA-N 322.405 -0.118 30 20 DBED CN1CC[C@H](C(=O)NC[C@]2(C)CN(CC#N)CCO2)CC1=O 1108031827 HOCPHQVIUZMJKG-SWLSCSKDSA-N 308.382 -0.415 30 20 DBED C#CCCN1CCO[C@@](C)(CNC(=O)c2cn(C)c(=O)cn2)C1 1108085268 VUGFLTUFTQKXCX-INIZCTEOSA-N 318.377 -0.376 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)[C@@H]2CCCCN2C(N)=O)C1 1108334519 MJMMVIXSIZGDQA-BBRMVZONSA-N 322.409 -0.240 30 20 DBED C[C@@H](CNc1cnc(C#N)cn1)NC(=O)[C@@H](C)S(C)(=O)=O 1108773673 KAOSYCPGPINZMK-DTWKUNHWSA-N 311.367 -0.302 30 20 DBED C[C@H](CN(C)c1ccnc(C#N)n1)NC(=O)C1CS(=O)(=O)C1 1109117150 UTSGMNDTFKFHNP-SECBINFHSA-N 323.378 -0.666 30 20 DBED N#Cc1cncc(NC[C@H](NC(=O)Cn2cnnn2)C2CC2)n1 1109775629 OUTXMDVNAZYDOW-NSHDSACASA-N 313.325 -0.658 30 20 DBED N#Cc1cncc(NC2(CNC(=O)[C@H]3CCC(=O)N3)CC2)n1 1110081919 JDQYEXVPFRBBLN-SNVBAGLBSA-N 300.322 -0.312 30 20 DBED C=CCN(CC=C)C(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C(N)=O 1110964496 NNZZDLYWTVPJPY-UPJWGTAASA-N 320.393 -0.606 30 20 DBED C=CCCC(=O)N(CCO)CCNc1ncnc2c1nnn2C 1111426981 SDBVTOKUZIPYCJ-UHFFFAOYSA-N 319.369 -0.043 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H]1COCCN1c1nccnc1F 1111700191 KKXODTCVDJFUPW-NEPJUHHUSA-N 322.340 -0.025 30 20 DBED C#CCOCCC(=O)NC[C@H](C)N(C)c1ccc2nnnn2n1 1113722710 DNYFKRFLOCKLOJ-NSHDSACASA-N 317.353 -0.500 30 20 DBED C[C@@H](CNC(=O)[C@H]1CC(=O)N(C)C1)N(C)c1nccnc1C#N 1113942957 DOMZCCBTUYWBIM-QWRGUYRKSA-N 316.365 -0.233 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)c3cocn3)[C@H]2C1 1114028631 SFBISBKGJLGEOY-DCAQKATOSA-N 302.334 -0.528 30 20 DBED N#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@H]3CCCCO3)[C@H]2C1 1114140229 BMZQEMMSEAMOCY-CZXHOFHRSA-N 306.366 -0.758 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@H]2CN(Cc3ccns3)C[C@H]12 1114159969 OOTMNADMFHEUFH-RYUDHWBXSA-N 318.402 -0.171 30 20 DBED C#CCOCCC(=O)N[C@H]1[C@@H]2CN([C@H]3CCN(CC)C3=O)C[C@@H]21 1114268059 FECNSGUZTBJUHH-KNCOVGOOSA-N 319.405 -0.307 30 20 DBED Cc1occc1C(=O)NCC(=O)NC1[C@H]2CN(CC#N)C[C@H]12 1114316323 DQNSMJPSFXSZSY-RYUDHWBXSA-N 302.334 -0.112 30 20 DBED CC#CCN1C[C@H]2[C@H](NC(=O)[C@H](Cn3cccn3)N(C)C)[C@H]2C1 1114405600 WDUDHYBCPXQRDW-XUWVNRHRSA-N 315.421 -0.117 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)c3ccncn3)[C@H]2C1 1114991756 IYTQYOXJOBJANJ-CIQGVGRVSA-N 315.377 -0.173 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)[C@]3(C)CCOC3)[C@@H]2C1 1115015554 GVDSCOGIVSRHHZ-XHBSWPGZSA-N 307.394 -0.238 30 20 DBED C[C@H](O)[C@H]1CCCN(C(=O)C(=O)NC2CCN(CC#N)CC2)C1 1117327061 USBCFFRGXSPHDE-STQMWFEESA-N 322.409 -0.290 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N1CCC2(CCNC2=O)CC1 1119322390 LNISLWKUUFHUGO-LLVKDONJSA-N 308.382 -0.011 30 20 DBED CN1CCO[C@H](C(=O)NC[C@H](CO)Nc2ccc(C#N)nc2)C1 1121251731 VHDCFSOFBXEAAV-KGLIPLIRSA-N 319.365 -0.827 30 20 DBED CC(=O)N1CC(C(=O)NC[C@H](CO)Nc2ncccc2C#N)C1 1121366710 WYCBEMHYTZLXKV-CYBMUJFWSA-N 317.349 -0.679 30 20 DBED N#Cc1nccnc1N[C@H](CO)CNC(=O)CC1=CCOCC1 1122480583 OQZZKVPQFUIJGJ-LBPRGKRZSA-N 317.349 -0.026 30 20 DBED CN(C[C@@H](O)CNc1cnc(C#N)cn1)C(=O)CN1CCCC1 1124352973 RZEYRFGIYQIYQZ-ZDUSSCGKSA-N 318.381 -0.325 30 20 DBED CN1CC[C@@H](C(=O)N(C)C[C@@H](O)CNc2nccnc2C#N)C1 1124353311 VIVIJABPGNABKH-NEPJUHHUSA-N 318.381 -0.469 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]cc1C#N)C(=O)[C@@]1(F)CCOC1 1124665274 LMSKTYWFZALGBL-IUODEOHRSA-N 322.340 -0.265 30 20 DBED COCCN(CCNC(=O)c1cnon1)c1ccc(C#N)nn1 1126403619 KGSYEOUNSOPOQT-UHFFFAOYSA-N 317.309 -0.386 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1c(C2CC2)cnn1C 1129191201 GCPCDDCRUDNQEF-LLVKDONJSA-N 317.393 -0.245 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cn(C)nc1C(F)F 1129606471 GJFAVVMTHDXNHT-UHFFFAOYSA-N 313.308 -0.574 30 20 DBED C=CCN1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)CC(N)=O)n1 1130870970 BVQBJRIKQKMZJE-RYUDHWBXSA-N 321.381 -0.028 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@H]2C[C@@H]3CN(CC#C)C[C@]2(C1)O3 1131231391 ZLXJILTUQLQJQI-KCYZZUKISA-N 302.374 -0.040 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC(=O)NCCN(CCF)CC1 1131364813 YENIDXCQHIBICP-CYBMUJFWSA-N 313.373 -0.355 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)Cn1cncc1C 1131377687 XXJYYTDTMPGCSY-UHFFFAOYSA-N 320.397 -0.341 30 20 DBED CNC(=O)C1(C(=O)N2C[C@@H](C)O[C@]3(CCN(CC#N)C3)C2)CC1 1131688813 RWBJNVYOAZQDDY-DOMZBBRYSA-N 320.393 -0.272 30 20 DBED CC#CCN1C[C@@H](NC(=O)CCNS(C)(=O)=O)CC[C@@H]1C 1132079152 UMADZPNADXSYNT-STQMWFEESA-N 315.439 -0.082 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@@H]1CCCN(CCC)C1 1132737224 JMOWRPLCLBZZTA-CQSZACIVSA-N 308.426 -0.436 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)CCc2cnn(C)n2)C1=O 1133918385 SOZKHBPGGREJHL-CYBMUJFWSA-N 320.397 -0.760 30 20 DBED Cc1nnc(CC(=O)N[C@@H](C)C[C@@H](C)NCC(=O)NCC#N)o1 1134269073 CYFSBRSRNQVIQY-ZJUUUORDSA-N 322.369 -0.567 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1cnc(C2CC2)nc1 1134863182 PTPWIXHBMIIPAM-UHFFFAOYSA-N 303.366 -0.024 30 20 DBED COCC#CCN[C@H](C)C[C@@H](C)NC(=O)c1cn(C)c(=O)cn1 1135044764 ZUQVYFPITIMGNX-CHWSQXEVSA-N 320.393 -0.083 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)CCCN(C)C 1135317353 YBQRDCDSWMIQOQ-UONOGXRCSA-N 310.442 -0.050 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)c1ccncn1 1135716790 XJZTVAVMSLAJES-NEPJUHHUSA-N 303.366 -0.288 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)c1ccc(N(C)C)nn1 1148142041 CMYOFZWODWBWFO-LLVKDONJSA-N 320.397 -0.447 30 20 DBED COCC#CCN1CCC2(C1)CN(C(=O)CCn1cnnn1)C2 1148480463 COTMWESSLPDFNK-UHFFFAOYSA-N 318.381 -0.753 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)[C@H](OC)C1CC1 1153040873 FJERQGWBPNTBND-IUODEOHRSA-N 309.410 -0.013 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)COC[C@H]1CCCO1 1153684069 FXLFUXDQAINOFX-CHWSQXEVSA-N 311.382 -0.974 30 20 DBED C=CCNC(=O)CN(CC)[C@H](C)CNC(=O)C1(C(N)=O)CC1 1154937740 CNFFYZBMBTXGDN-LLVKDONJSA-N 310.398 -0.619 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)[C@@H]2[C@H]3COC[C@H]32)C1=O 1164273544 MBCXIFGJJQUCEX-RQJABVFESA-N 307.394 -0.238 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)c1c[nH]c(=O)cn1 1165318391 KWULVFYIXMVKIT-SNVBAGLBSA-N 307.354 -0.830 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@H]1CCC[C@H]2CCCN21 1168030387 NVHZCMTVHCTIBJ-LSDHHAIUSA-N 320.437 -0.151 30 20 DBED CC#CCNCCCC[C@@H](C)NC(=O)CN1C(=O)CNC1=O 1176485576 HBASRTLMTQYHSM-GFCCVEGCSA-N 308.382 -0.174 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H]2OCCN(CCF)[C@H]2C1 1176983064 MTDIUBWGACHGRQ-STQMWFEESA-N 311.357 -0.603 30 20 DBED C[C@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)Cc1ccn(C)n1 1178663151 PMWJEOQTVVPYGW-AAEUAGOBSA-N 318.381 -0.819 30 20 DBED C#CCOCCC(=O)N1CC[C@H](NCC(=O)N2CCC2)[C@@H]1C 1178682251 ZRLFUGKLUUCINF-KBPBESRZSA-N 307.394 -0.162 30 20 DBED CN(CC(=O)NCC#N)[C@H]1CCN(C(=O)c2ccnc(O)c2)C1 1189621189 LYLNLIXSVKVDDV-LBPRGKRZSA-N 317.349 -0.427 30 20 DBED CC#CCN(C)[C@H]1CCN(C(=O)CN2CCCS2(=O)=O)C1 1190502625 ZEEYBAHLKAUIKN-ZDUSSCGKSA-N 313.423 -0.422 30 20 DBED C=C(C)CCN(C)[C@@H]1CCN(C(=O)CNC(=O)CNC(C)=O)C1 1190988347 AIROTXXWPQYOMO-CQSZACIVSA-N 324.425 -0.262 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@H]1CCN(C(=O)Cc2ncc[nH]2)C1 1193066087 GQOAJXRNIXQBNN-STQMWFEESA-N 317.393 -0.377 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)c2ccsn2)C1 1194023758 OWGPHOJDIRASKF-MVWJERBFSA-N 324.406 -0.391 30 20 DBED C=C(C)C(C)(C)C(=O)N[C@@H]1CN(C[C@@H](O)COC)C[C@H]1O 1195255685 XYIKRBMQSXOMOD-JHJVBQTASA-N 300.399 -0.243 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)CCc2ncc[nH]2)CC1 1200290443 BEMXGIKSCVQPNS-UHFFFAOYSA-N 317.393 -0.328 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)C[C@@H]2CC(=O)NC2=O)CCCO1 1202251681 UAHOENIMHUKKBU-QWHCGFSZSA-N 321.377 -0.730 30 20 DBED C[C@@H]1OCC[C@H]1C(=O)N1CCC(NCC(=O)NCC#N)CC1 1203059447 SHXJBQMIFNQSHJ-WCQYABFASA-N 308.382 -0.368 30 20 DBED C=CCNC(=O)NC(=O)CN[C@H]1C[C@H]2CC[C@H]1N(C(C)=O)C2 1203885535 YRALSZNMAASFNM-FRRDWIJNSA-N 308.382 -0.013 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CNCC(=O)N2CCOCC2)CC1 1204799505 YXDFRXQSUDODCA-ZDUSSCGKSA-N 322.409 -0.167 30 20 DBED CC#CCNCC1CCN(C(=O)Cn2cnc(C(N)=O)n2)CC1 1205334784 QZFMPJFOABBEHL-UHFFFAOYSA-N 318.381 -0.772 30 20 DBED COCC#CCN[C@@H]1CCCN(C(=O)C[C@H]2CCNC2=O)C1 1208325601 SYRSUFDSPSDCAY-ZIAGYGMSSA-N 307.394 -0.257 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)c2cn(CC)nn2)C1 1210389533 SSICFAICQCMXIV-LBPRGKRZSA-N 320.397 -0.206 30 20 DBED CO[C@@H]1CN([C@@H](C)c2nnnn2C)C[C@H]1NC(=O)C#CC1CC1 1212245909 FRPFKWRCTXGMDN-CYZMBNFOSA-N 318.381 -0.500 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@@H](C)NC(=O)C1CCC1 1213992577 DZRDVYFASRHVBG-RAIGVLPGSA-N 308.382 -0.370 30 20 DBED CCS(=O)(=O)NCCN[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1C 1214338747 YUJAXRADOLFXBS-QJPTWQEYSA-N 316.427 -0.478 30 20 DBED C=CCOCC(=O)N1CCO[C@@H]2CN([C@@H]3CCCNC3=O)C[C@@H]21 1217533089 RFIYQDOUQCCBNX-HZSPNIEDSA-N 323.393 -0.621 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)CCSC)C1 1219167098 HTZGSSFKXQWKAV-TUAOUCFPSA-N 313.423 -0.961 30 20 DBED Cc1conc1CN1C[C@H](O)[C@H](NC(=O)CSCC#N)C1 1219218813 YLEPCJBXPSIQNI-NEPJUHHUSA-N 310.379 -0.099 30 20 DBED C=C(C)C[C@@H](C)C(=O)N[C@@H]1CN(Cc2nnnn2C)C[C@@H]1O 1220190673 ULPUPWPRQTUYMQ-UTUOFQBUSA-N 308.386 -0.526 30 20 DBED C=CCC[C@@H](C)N1C[C@H](O)[C@H](NC(=O)CN2CC(=O)NC2=O)C1 1220561971 OGOGPRHLDSTPST-UTUOFQBUSA-N 324.381 -0.946 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)C2(C(=O)N(C)C(C)C)CC2)C1 1220647067 XGOGFGLETSJMHI-KGLIPLIRSA-N 321.421 -0.182 30 20 DBED COCC#CCN1CC[C@@H]2CN(C(=O)CS(C)(=O)=O)[C@@H]2C1 1221353551 AMOLUMRBTWKMIC-CHWSQXEVSA-N 314.407 -0.787 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H]2CCN(CCCO)[C@H]2C1 1222562947 YTWLVDDZSMNHCR-KGLIPLIRSA-N 307.394 -0.569 30 20 DBED C=CCN1CCS(=O)(=O)[C@H](CCNC(=O)[C@H]2CCCO2)C1 1230416339 GCJMTPXKTZUUKC-CHWSQXEVSA-N 316.423 -0.043 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)c1cc(C)on1 1230681738 MZTZCXNAWZTOFS-GFCCVEGCSA-N 304.350 -0.121 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1261927904 VFXXUVOKBNENEN-YPMHNXCESA-N 306.366 -0.498 30 20 DBED CC[C@H](C(=O)N1CCC[C@@H]1CNCC(=O)NCC#N)N(C)C 1267958483 NMBQRQHPLKAUNK-CHWSQXEVSA-N 309.414 -0.453 30 20 DBED N#CCNC(=O)COC(=O)c1ccc(CS(N)(=O)=O)cc1 1318364195 UAWURFXGRWKSJE-UHFFFAOYSA-N 311.319 -0.728 30 20 DBED C=CC[C@@H](NC(=O)CCS(=O)(=O)N(C)C)C(=O)OCC 1321037611 PHNTVFUTLALAKQ-SNVBAGLBSA-N 306.384 -0.108 30 20 DBED C=C[C@@H](COC)NC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 1321267926 NBABGVOFBITZGA-NSHDSACASA-N 311.363 -0.199 30 20 DBED C[C@@H](CO)CCCNC(=O)C(=O)NC1CCN(CC#N)CC1 1322561272 BDIFWYJJQMGHNM-GFCCVEGCSA-N 310.398 -0.385 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](C(F)(F)F)C2)CCO1 1325775287 HWQKNKGDXUWFDR-RKDXNWHRSA-N 321.255 -0.473 30 20 DBED C=CCN1C(=O)C(=O)N(Cc2nc(C3(N)CCC3)no2)C1=O 1326172265 KNSDWEUICILHPP-UHFFFAOYSA-N 305.294 -0.116 30 20 DBED N#CCCC[C@@H](N)C(=O)N1CCCC[C@@H]1CNC(=O)CCN 1326312783 GINGFXITACQWKC-CHWSQXEVSA-N 309.414 -0.146 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N(C)CC(=O)N1CCCC1 1327353153 MGSWPWNYTKFAOF-UHFFFAOYSA-N 311.382 -0.272 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)NCCc2cccnc2)C1 1328260374 ZQZFBLIJGCGZIL-HNNXBMFYSA-N 302.334 -0.383 30 20 DBED C#CC[C@@H](CO)NC(=O)CC1CCN(S(C)(=O)=O)CC1 1328396381 XRVODRWZDVNONN-LBPRGKRZSA-N 302.396 -0.452 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N(C)CCN2CCCC2)nn1 1329223261 RWRUJYONNZTBIA-UHFFFAOYSA-N 320.397 -0.366 30 20 DBED C=CC1CCN(C(=O)C(=O)N2C[C@H]3C(=O)N(C)C(=O)[C@H]3C2)CC1 1329798030 PHTASLXSRQXDDL-TXEJJXNPSA-N 319.361 -0.516 30 20 DBED COCC#CC(=O)NC1CCN(CCS(C)(=O)=O)CC1 1333995406 PKUQMLNXWDWZMT-UHFFFAOYSA-N 302.396 -0.739 30 20 DBED C=CCOCCn1nnnc1N1CC[C@@H](CS(C)(=O)=O)C1 1334713512 QZZRFKJZNCOJNQ-LLVKDONJSA-N 315.399 -0.253 30 20 DBED C=CCn1c([C@@H](C)CO)nnc1N1CCN2C(=O)NC[C@@H]2C1 1338992795 MNFBJPRNALMKRX-WDEREUQCSA-N 306.370 -0.226 30 20 DBED C#CCN(C(=O)C(=O)NC[C@H](C)CN1CCOCC1)C(C)C 1340617638 YWPWVGHSECDJMW-AWEZNQCLSA-N 309.410 -0.059 30 20 DBED C=CCn1c(N2CC[C@H](NC(C)=O)C2)nnc1[C@]1(O)CCOC1 1340623296 CTFMQFOTTGQWCG-WFASDCNBSA-N 321.381 -0.213 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N1CC[C@H](C(=O)OCC)C1 1341710141 YTMVOLSYXGZYES-QWHCGFSZSA-N 324.377 -0.057 30 20 DBED Cn1cccc1C(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1343710375 ZLOJPAAYZNIVTL-WYMLVPIESA-N 316.317 -0.150 30 20 DBED CNS(=O)(=O)CCC(=O)NC[C@@H](C)N(C)C(=O)[C@H](C)C#N 1369843668 LMDGRQIKTMJBDK-NXEZZACHSA-N 318.399 -0.952 30 20 DBED C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)N(C)Cc1nnnn1C 1381504851 GLSNLJJIPIBIMR-VIFPVBQESA-N 302.342 -0.340 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@@H](CNC(=O)c2cn(C)c(=O)n2C)C1 1384507328 YMJMBOUQTXJLMZ-MXWKQRLJSA-N 319.365 -0.492 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CCN(C(=O)CCS(C)(=O)=O)C1 1385321429 PLQDWHAQINLGSQ-VHSXEESVSA-N 301.368 -0.702 30 20 DBED CCN(CCNC(=O)[C@@H](C)C#N)C(=O)COc1cnn(C)c1 1388409551 VPZULUQVLQFVCB-NSHDSACASA-N 307.354 -0.077 30 20 DBED CN1CC[C@@H](C(=O)NC[C@H](O)CNC(=O)c2cc(C#N)c[nH]2)C1 1389087921 STBRKZFHJHVQHV-NEPJUHHUSA-N 319.365 -0.955 30 20 DBED C[C@@H](C#N)C(=O)NC1CN(C(=O)[C@H]2CCCS(=O)(=O)C2)C1 1389402346 LBDMVZXVJYLLSW-UWVGGRQHSA-N 313.379 -0.702 30 20 DBED C=C(Br)CN(C)CCNC(=O)Cn1ncnn1 1390754592 IPUUMZQNTSMSTH-UHFFFAOYSA-N 303.164 -0.370 30 20 DBED C=C(Cl)CNC[C@@H](C)NC(=O)CNS(=O)(=O)N(C)C 1392511784 OUIBXYDXUSRJTI-SECBINFHSA-N 312.823 -0.771 30 20 DBED CC(=O)NCC(=O)N[C@]1(C)CCN(C(=O)c2cc(C#N)c[nH]2)C1 1394228911 WXLOSRYHZPBLAY-OAHLLOKOSA-N 317.349 -0.257 30 20 DBED COc1ccc(CC(=O)NC[C@H](O)CNC(=O)[C@@H](C)C#N)cc1 1399871220 OHDKIVTZIWDLQJ-AAEUAGOBSA-N 319.361 -0.009 30 20 DBED C[C@@]1(NC(=O)Cn2cc(C#N)c(O)nc2=O)CCO[C@@H]1C1CC1 1412016182 DNBANLFDPBOGQR-IUODEOHRSA-N 318.333 -0.106 30 20 DBED CN(Cc1ncccn1)C(=O)Cn1cc(C#N)c(O)nc1=O 1412486054 FXWOHYHHSOYDSV-UHFFFAOYSA-N 300.278 -0.731 30 20 DBED COC(=O)C(C)(C)CNC(=O)Cn1cc(C#N)c(O)nc1=O 1412699151 ULLPNMOCRIYEOS-UHFFFAOYSA-N 308.294 -0.864 30 20 DBED Cc1cc(C)n(CC(=O)N(C)C[C@H](O)CNC(=O)[C@H](C)C#N)n1 1413300755 SPIKVQYFAJGTKX-ZWNOBZJWSA-N 321.381 -0.405 30 20 DBED C[C@H](C#N)C(=O)NC1CN(C(=O)[C@H]2CCCCN2C(N)=O)C1 1416047180 PERQNQDXBIUBHE-MWLCHTKSSA-N 307.354 -0.594 30 20 DBED C[C@@H](C#N)C(=O)N(C)CC(C)(C)CNC(=O)CS(C)(=O)=O 1442615492 WGSPKGOYIVPANE-JTQLQIEISA-N 317.411 -0.209 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CN(C)C(=O)c1ccncc1F 1451839456 ZNUDIZIKRWAKJV-ZJUUUORDSA-N 308.313 -0.071 30 20 DBED COc1cc(CN2CC(O)(CNC(=O)[C@H](C)C#N)C2)sn1 1484263848 FYVWSHNIQLGRAH-SECBINFHSA-N 310.379 -0.026 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@@H]1CCN(C(=O)c2cnc(O)n2C)C1 1523140569 YRTSTVOULKFKED-VHSXEESVSA-N 305.338 -0.042 30 20 DBED CN(C)C(=O)Cn1cc(C(=O)OC2CCN(CC#N)CC2)nn1 1524706302 ZDYNFVBQYCDZOF-UHFFFAOYSA-N 320.353 -0.489 30 20 DBED CCS(=O)(=O)CCN(C)c1cnc(C#N)c(-c2nn[nH]n2)n1 1570932359 RUCLZPPXCMZWKW-UHFFFAOYSA-N 322.354 -0.601 30 20 DBED CS(=O)(=O)CC[C@H](N)C(=O)NCCc1ccc(C#N)cc1 1574057386 LOXHCOASPWTRQV-ZDUSSCGKSA-N 309.391 -0.021 30 20 DBED C=CCN(C(=O)[C@@H]1CC(C(=O)O)=NO1)[C@@H]1CCS(=O)(=O)C1 1588460515 MNOKMSJVBHYZIT-SCZZXKLOSA-N 316.335 -0.582 30 20 DBED C=CCOC[C@H](NC(=O)Cc1nc2ncccn2n1)C(=O)O 1588856684 OPVGLXLXFICCKX-VIFPVBQESA-N 305.294 -0.561 30 20 DBED CN(CC(=O)NCC#N)C[C@H](O)c1cccc(-c2nn[nH]n2)c1 1591038695 LODPWHOPJRQNLS-LBPRGKRZSA-N 315.337 -0.528 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N1C[C@@H](O)C[C@@H](C(=O)O)C1 1592222114 RHXHBMWAGYGHQO-BBBLOLIVSA-N 305.356 -0.767 30 20 DBED N#Cc1ncc(NC2CC(CO)(CO)C2)nc1-c1nn[nH]n1 1592710342 MOLXUPWYDSBDCK-UHFFFAOYSA-N 302.298 -0.926 30 20 DBED C#CCN(CC(=O)O)CC(=O)N1CCN(c2cnccn2)CC1 1602695483 HKDYKOFSMAWZQI-UHFFFAOYSA-N 317.349 -0.855 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N1CCN(C)C[C@H](C(=O)O)C1 1602901964 IKVNGVHRMLUQIJ-MNOVXSKESA-N 312.370 -0.665 30 20 DBED C[C@@H]1CN(C(=O)Cn2cc(C#N)c(O)nc2=O)CC[C@H]1C(=O)O 1603443676 YTKGJCPTIFSNGY-PSASIEDQSA-N 320.305 -0.610 30 20 DBED N#CC1(C[C@@H](O)CN2CCN([C@]3(C(=O)O)CCOC3)CC2)CC1 1608175911 KIUBHIXLZNXYGM-CZUORRHYSA-N 323.393 -0.098 30 20 DBED O=C1C=CC=N/C1=C(/O)NCCNC(=O)C12CC(C(=O)O)(C1)C2 1610883982 KITYNQYCTIQKMP-ZHACJKMWSA-N 319.317 -0.116 30 20 DBED C[C@@H](CCNC(=O)[C@H]1CCN(C)[C@@H](C)C1)NCC(=O)NCC#N 1674224598 VXNOBNIQVPKEOS-IHRRRGAJSA-N 323.441 -0.159 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC[C@H]1CNC(=O)c1cnsn1 1753096921 ADIXTKVPLLWAGC-MNOVXSKESA-N 321.406 -0.130 30 20 DBED C#CCNC(=O)[C@@H](C)NCCN(C)C(=O)Cc1nnc(C)o1 1753185749 YEVPPDHOJHAJSF-SNVBAGLBSA-N 307.354 -0.894 30 20 DBED N#CCNC(=O)CN1CC(NC(=O)c2cccc3c[nH]nc23)C1 1753383894 NZLIHMKMLDJFIN-UHFFFAOYSA-N 312.333 -0.383 30 20 DBED C#CCNC(=O)CN1CCO[C@@H](CNC(=O)[C@@H]2C[C@H]2CCC)C1 1753653200 XCXJHJYDVGEBCD-QLFBSQMISA-N 321.421 -0.011 30 20 DBED C=C(C)CCN1CCO[C@H](CNC(=O)C[C@@H]2NC(=O)NC2=O)C1 1753654998 HSFDTBFYIWXTSJ-NEPJUHHUSA-N 324.381 -0.632 30 20 DBED COCC#CCNC[C@@H](C)N(C)C(=O)CN(C)C(=O)C1CC1 1753694837 HSIVIHCOTNCUIV-CYBMUJFWSA-N 309.410 -0.059 30 20 DBED COCC#CCNC[C@@H](O)CNC(=O)C(C)(C)N1CCCC1 1753924266 YIEFNCGDCPAICZ-CQSZACIVSA-N 311.426 -0.423 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)CNC(=O)OC)[C@H](C)C1 1754590037 JWDWSIPBFBMUCJ-NEPJUHHUSA-N 324.381 -0.939 30 20 DBED C=CCCNC[C@]1(C)CCN(C(=O)CS(=O)(=O)NC)C1 1754711980 FOMHDAWCMRKSBN-ZDUSSCGKSA-N 303.428 -0.060 30 20 DBED C#CCN1CCC(C)(CNC(=O)CN2C(=O)CNC2=O)CC1 1754721423 NIVYARVWKPBIGF-UHFFFAOYSA-N 306.366 -0.610 30 20 DBED C=CCCCN1CC[C@@](O)(CNC(=O)C[C@@H]2CC(=O)NC2=O)C1 1754763871 HTQGOQNBXWJSTR-MLGOLLRUSA-N 323.393 -0.442 30 20 DBED CC#CCN[C@H](C)[C@H]1CCN(C(=O)CN2C(=O)CCC2=O)C1 1754808279 ZWKINJOTIMRYEC-OLZOCXBDSA-N 305.378 -0.015 30 20 DBED C=CCCN(C)C1CCN(C(=O)CNC(=O)CNC(C)=O)CC1 1755531016 YRRICUNIVZVRJH-UHFFFAOYSA-N 324.425 -0.262 30 20 DBED CN(C(=O)CS(=O)(=O)N(C)C)[C@@H](CNCC#N)C1CC1 1755571680 LGTWLFTYPKJYOK-NSHDSACASA-N 302.400 -0.772 30 20 DBED CC#CCNC[C@H]1CC[C@@H](NC(=O)CS(=O)(=O)NC)C1 1755750182 SKEHBPNPNUUYNY-NWDGAFQWSA-N 301.412 -0.567 30 20 DBED CC#CCN(C)C[C@H](O)CN(C)C(=O)CCN1CCOCC1 1755807958 YJXRCABHNDXFLA-HNNXBMFYSA-N 311.426 -0.517 30 20 DBED C=C[C@](C)(O)CC(=O)N(C)C[C@@H](O)CNC(=O)Cc1ccc[nH]1 1756660638 KHVIBGKMVFQWEK-BBRMVZONSA-N 323.393 -0.180 30 20 DBED C=CCCC(=O)N[C@@H]1CN(C(=O)c2c[nH]c(C)cc2=O)C[C@@H]1O 1757161137 QVFZHPMSLXVEMR-OCCSQVGLSA-N 319.361 -0.049 30 20 DBED COCCn1cc(S(=O)(=O)N[C@H](CCC#N)C(=O)O)cn1 1777228099 NKCDTKDHEAVQRQ-SNVBAGLBSA-N 316.339 -0.435 30 20 DBED C[C@H](CN)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC#N)[C@H]2C1 1786703364 MFHCQVFVYHDXBJ-RFGFWPKPSA-N 322.409 -0.135 30 20 DBED CC[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)S)C2 1792866279 OHJHMTJVIDOHCJ-RMPHRYRLSA-N 316.423 -0.335 30 20 DBED C=CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C=CCN1 1796314694 BSJNZBMLQOSMAI-XFMPKHEZSA-N 305.378 -0.320 30 20 DBED N#CCC(=O)N1CC[C@H](CNC(=O)C(O)O)[C@H]1c1cccnc1 1802917281 OGLBOSGXPKHMPK-DGCLKSJQSA-N 318.333 -0.688 30 20 DBED CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C#CC1CC1)CCO2 1831213269 NPKIVHLPGUWKMI-INIZCTEOSA-N 306.362 -0.124 30 20 DBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)OC)C2)C1 1839810931 YHHUJDSNNVNWNH-WFASDCNBSA-N 310.350 -0.889 30 20 DBED Cc1cc(C(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)on1 1842462055 BPJVVKLJAZIOIW-UHFFFAOYSA-N 317.301 -0.112 30 20 DBED C=C1[C@@H](n2c(OC)nc3c(O)nc(=N)[nH]c32)C[C@H](O)[C@H]1CO 2048529322 STXDLYSFRKKGPP-FXQIFTODSA-N 307.310 -0.577 30 20 DBED N#Cc1cc([N+](=O)[O-])ccc1N1CCN(S(N)(=O)=O)CC1 42632788 PFAQHPOJULBARR-UHFFFAOYSA-N 311.323 -0.208 30 20 DBED CC[C@H](C)NC(=O)CCNc1c(C#N)c(=O)n(C)c(=O)n1C 52448242 CMDRLTGHJXBDKX-VIFPVBQESA-N 307.354 -0.328 30 20 DBED C=CCCO[C@@H](C)C(=O)NCCN1CCS(=O)(=O)CC1 119603802 KGPRIFZMTNTYPX-LBPRGKRZSA-N 304.412 -0.186 30 20 DBED Cn1cnc2c1c(=O)n(CC(=O)O[C@@H](C#N)C1CC1)c(=O)n2C 176066174 WGABCVREFHRWJE-VIFPVBQESA-N 317.305 -0.721 30 20 DBED NC(=O)CN1CCN(C(=O)C#Cc2ccc3c(c2)OCO3)CC1 268583548 SJZHMAJAQVURJK-UHFFFAOYSA-N 315.329 -0.604 30 20 DBED CCN1CCN(CC(=O)N2CCSC[C@@H]2C#N)C(=O)C1=O 271718806 KMDVCUGPRQCTJD-JTQLQIEISA-N 310.379 -0.855 30 20 DBED CCOC(=O)c1cnn(CCNS(=O)(=O)CC)c1C#N 272416498 MLQOBTSXEKLRLL-UHFFFAOYSA-N 300.340 -0.129 30 20 DBED C#CCN(CC(=O)c1c(O)nc(=O)n(CCOC)c1N)C1CC1 274211394 TWJWBKQWRNGGKA-UHFFFAOYSA-N 320.349 -0.542 30 20 DBED CN1CCN(c2cc(N3CCO[C@H](C#N)C3)ncn2)CC1=O 274832600 SXQQNUNAKMYKFE-LLVKDONJSA-N 302.338 -0.516 30 20 DBED CC(C)(CNC(=O)NCCn1cnc(C#N)n1)N1CCOCC1 286588644 YWCGRONGLKSKQM-UHFFFAOYSA-N 321.385 -0.440 30 20 DBED CN/C(=N\CCCOCCOC)NCCN1CCOCC1 303774791 GCZYECXJSOZJJM-UHFFFAOYSA-N 302.419 -0.463 30 20 DBED CCc1nc2n(n1)C[C@H](/N=C(/O)N[C@H]1CC(=O)N(C)C1)CC2 329943123 DHIFXTKUOUCZSO-ZJUUUORDSA-N 306.370 -0.110 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@@H]1CCN(C(C)=O)C1 330381261 VTKGKFQGAXJHHE-GFCCVEGCSA-N 318.399 -0.696 30 20 DBED CCn1cc(S(=O)(=O)NCC/N=C(/O)N(C)C)nc1C 330814244 QBHMPXZUYNEQMN-UHFFFAOYSA-N 303.388 -0.035 30 20 DBED CCCS(=O)(=O)CC(=O)N[C@@H]1CCN(/C(O)=N/CC)C1 330994944 LRFBDZJIXGYQRK-SNVBAGLBSA-N 305.400 -0.064 30 20 DBED C[C@@H]1[C@H](NS(=O)(=O)N2CCO[C@@H](C#N)C2)CCCN1C 336896522 NTEHYHYOYKPGPC-GRYCIOLGSA-N 302.400 -0.472 30 20 DBED CCC(CC)(NS(=O)(=O)N1CCO[C@@H](C#N)C1)C(N)=O 336920349 PXUDJBDQUYSJAU-VIFPVBQESA-N 304.372 -0.911 30 20 DBED C=CCN1CC[C@H](N(C)CC(=O)NCC(=O)NC(C)(C)C)C1=O 337233780 WOEITTIJGHYCET-LBPRGKRZSA-N 324.425 -0.264 30 20 DBED C=CC[C@H](CO)CNS(=O)(=O)c1cnn(CCOC)c1 341194642 PWOZSFRHYSJEHA-NSHDSACASA-N 303.384 -0.008 30 20 DBED N#Cc1ccc(S(=O)(=O)CCN2C[C@H](O)C[C@H]2CO)nc1 343682930 HLGGQTQOHOEZIV-NWDGAFQWSA-N 311.363 -0.846 30 20 DBED COC(=O)[C@H]1CCC[C@H]1S(=O)(=O)N1CC(O)(CC#N)C1 358912066 ZMZNKFIVHSVVMM-VHSXEESVSA-N 302.352 -0.382 30 20 DBED Cc1cc(NC(=O)C(=O)N[C@@H]2C[C@H](O)C2(C)C)nn1CCC#N 426851272 OMAYEUUSTHQJHK-MNOVXSKESA-N 319.365 0.319 30 20 DBED C=CC[C@H](CO)CNC(=O)C(=O)Nc1ccn([C@H](C)COC)n1 426957704 UVTPUBGNTAVMNJ-NEPJUHHUSA-N 324.381 0.330 30 20 DBED CCN1CCN(C(=O)CNc2ccc(C#N)cn2)[C@H](C)C1=O 428737632 YSSGDFDKDBHZDH-LLVKDONJSA-N 301.350 0.444 30 20 DBED Cc1nccnc1N1CCN(C(=O)Cn2cnc(C#N)n2)CC1 442973062 NAZYZZLWMSJUQA-UHFFFAOYSA-N 312.337 -0.403 30 20 DBED C#CCN1CCN(C(=O)CN2CCC[C@H](C3OCCO3)C2)CC1 490762016 ZGVRNNRMXQZBRK-HNNXBMFYSA-N 321.421 -0.151 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)CN2CC[C@H](C)C2)CC1 491742357 GPDNBXKXDLZCAY-AWEZNQCLSA-N 306.410 -0.778 30 20 DBED COC[C@@](C)(O)C(=O)N1CCN(c2cnccc2C#N)CC1 553356966 GIURFIGEUYRCPE-OAHLLOKOSA-N 304.350 -0.001 30 20 DBED CNC(=O)c1ccc(CS(=O)(=O)N2CC(O)(CC#N)C2)cc1 581737447 IFAAPYYQBRMWPP-UHFFFAOYSA-N 323.374 -0.164 30 20 DBED CC[C@H](C#N)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 593419550 GRDUQEFBDRANRA-LLVKDONJSA-N 302.400 -0.770 30 20 DBED C=C[C@H](CO)NCC(=O)N1CCN(c2oc(C)nc2C#N)CC1 595864342 YXYFVCFNUWQWMU-GFCCVEGCSA-N 319.365 -0.360 30 20 DBED CN1CCN(CC(=O)NCCc2ccc(C#N)cc2)CC1=O 597890165 PFXHXYQZFKTECW-UHFFFAOYSA-N 300.362 -0.009 30 20 DBED C[C@H](C#N)N(C(=O)CN1CCN(S(C)(=O)=O)CC1)C1CC1 598130252 DEFWSVNBICZXAB-LLVKDONJSA-N 314.411 -0.533 30 20 DBED C[C@H]1COCCN1CCNc1c(C#N)c(=O)n(C)c(=O)n1C 609150169 SFAHBGBBTHOHDE-JTQLQIEISA-N 307.354 -0.912 30 20 DBED Cc1cc(NC(=O)N2CCO[C@@H](C(N)=O)C2)nn1CCC#N 611266744 GLNUQBRUAVVMNU-SNVBAGLBSA-N 306.326 -0.177 30 20 DBED C=CCN(CCOC)C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1OC 666103970 ZCUQFIQDVLZOMO-GHMZBOCLSA-N 306.384 -0.358 30 20 DBED C=C[C@H](O)C(=O)NC[C@@H](Cc1ccccc1)NC(=O)[C@H](O)C=C 667260748 CXHUMILTFAISOA-QLFBSQMISA-N 318.373 -0.076 30 20 DBED C#Cc1ccc(C(=O)N2CCN(CCS(N)(=O)=O)CC2)nc1 748369910 HEBNQCWVSNRVDX-UHFFFAOYSA-N 322.390 -0.891 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](CC)C(=O)OC)C1=O 762806232 JUWPSFXOFMQZRQ-MRVPVSSYSA-N 312.278 -0.542 30 20 DBED C#C[C@H](NC(=O)N1CCN(CC(=O)NCC)CC1)[C@H]1CCCO1 773561716 TVCPIHPKQOQEOL-UONOGXRCSA-N 322.409 -0.370 30 20 DBED CN1C(=O)CCc2cc(C=NNC(=S)NCC(N)=O)ccc21 774384567 IHEQFPHNMOHFDB-UHFFFAOYSA-N 319.390 -0.121 30 20 DBED C#CCN(C)CCCNS(=O)(=O)N(C)C1CCOCC1 815082276 IPJDZVHWAUPNLO-UHFFFAOYSA-N 303.428 -0.113 30 20 DBED C[C@H](C#N)OCCOC(=O)[C@H]1CCCN(S(N)(=O)=O)C1 815261272 AGWKRCXEXUXKPG-ZJUUUORDSA-N 305.356 -0.626 30 20 DBED CCOCCCNC(=O)[C@@H](C#N)C(=O)c1ccn2nnnc2c1 850751815 GUTOVGILXBECOH-NSHDSACASA-N 316.321 -0.010 30 20 DBED C#CC[C@@H](CO)NC(=O)c1ccc(C(=O)N[C@H](CO)CC#C)o1 854545142 BFBCRAXVDZIAID-RYUDHWBXSA-N 318.329 -0.492 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCCN(C(=O)CNC(C)=O)CC1 862961062 OOFWQOZUBQIEJC-LBPRGKRZSA-N 309.366 -0.778 30 20 DBED CCN(C[C@@H](C)C#N)C(=O)COC(=O)[C@@H]1CSCC(=O)N1 923933625 OBZWYDCRNCVWGD-UWVGGRQHSA-N 313.379 -0.231 30 20 DBED COC(=O)c1cccn(CC(=O)N2CCN(CC#N)CC2)c1=O 933237438 VTMXIANHWRVTSI-UHFFFAOYSA-N 318.333 -0.697 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)c2cc(=O)n(C)cn2)C1 938175004 GWWXNWCPTPLAHS-UWVGGRQHSA-N 303.322 -0.729 30 20 DBED COc1c[nH]c(C(=O)NC[C@@H]2CCN2C(=O)[C@@H](C)C#N)cc1=O 951079571 APFYKEAKUCZQRQ-UWVGGRQHSA-N 318.333 -0.126 30 20 DBED COc1c(C(=O)NC[C@H]2CCN2C(=O)[C@@H](C)C#N)cnn1C 951418546 YHIAYHSKEZBNEY-VHSXEESVSA-N 305.338 -0.081 30 20 DBED COc1ncc(C(=O)NC[C@H]2CCN2C(=O)[C@@H](C)C#N)cn1 951941469 NRFGYSFHKHWHSJ-GXSJLCMTSA-N 303.322 -0.024 30 20 DBED COc1nccc(C(=O)N(C)C2CN(C(=O)[C@@H](C)C#N)C2)n1 954893448 YDXHCQYOAGJWPA-VIFPVBQESA-N 303.322 -0.072 30 20 DBED C[C@@H](C#N)C(=O)N1CC(N(C)C(=O)c2ccc(C(N)=O)[nH]2)C1 955355372 MTXQIWIHYKHKPK-QMMMGPOBSA-N 303.322 -0.444 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCCN1C(=O)C(N)=O 956188584 NTTJPCHKGJFJDR-SRVKXCTJSA-N 309.366 -0.440 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C 958337575 UTDRPXHXEODMMR-KKOKHZNYSA-N 309.366 -0.584 30 20 DBED CN(C(=O)c1ncccn1)[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 958937687 DBPJQWBVHFCMHO-STQMWFEESA-N 314.345 -0.466 30 20 DBED C=CCn1cc(C(=O)N[C@H]2[C@@H]3CN([C@H]4CCNC4=O)C[C@@H]32)nn1 961993587 LXJPLECKMDFACZ-JULQROHOSA-N 316.365 -0.987 30 20 DBED Cc1ncc(C(=O)NC[C@H]2COCCN2C(=O)[C@H](C)C#N)[nH]1 964124080 UWWZSZICCNUMBM-KOLCDFICSA-N 305.338 -0.165 30 20 DBED O=C1NC[C@@H](C(=O)N[C@@H]2CCCN(C(=O)C#CC3CC3)CC2)N1 965142143 LYERTCXQRPEPTH-OLZOCXBDSA-N 318.377 -0.422 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CN(C(=O)Cc3ccon3)CCO2)C1 965332205 GPHGOQCLTFKRTA-NSHDSACASA-N 318.333 -0.183 30 20 DBED C[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)Cn1nccn1 966414688 SBOBCAQNICTFNR-WCQYABFASA-N 301.350 -0.345 30 20 DBED C=C[C@](C)(CC)C(=O)N1CC(N2CCN(C(=O)C(N)=O)CC2)C1 967251298 DBYJLFBCTBZXFO-MRXNPFEDSA-N 322.409 -0.571 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCCCCN1CC(N)=O 968896345 NPIPWPZGTOQXKA-GJZGRUSLSA-N 320.437 -0.070 30 20 DBED N#CCN[C@@H]1CCN(C(=O)[C@@H]2COCCN2CC(F)F)C1 969464822 GJKIXLSTBFGAOD-MNOVXSKESA-N 302.325 -0.334 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@]2(CN(CCn3cncn3)CCO2)C1 972298189 RBNMBUMAHFMRRT-DZGCQCFKSA-N 318.381 -0.259 30 20 DBED C=C(C)CN1CCO[C@]2(CCN(C(=O)[C@@H]3CN(C)C(=O)N3)C2)C1 972503822 JFFXTDFFWIEPOP-XJKSGUPXSA-N 322.409 -0.111 30 20 DBED C#CCCN1CCO[C@@]2(CCN(C(=O)[C@H]3CCC(=O)N3C)C2)C1 972513670 JELOGPOUJZTOND-PBHICJAKSA-N 319.405 -0.066 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@]3(CN(CCO)CCO3)C2)cn1 972644173 WAAYXTJEEPUBFC-KRWDZBQOSA-N 315.373 -0.028 30 20 DBED C=CCn1cc(C(=O)N[C@H]2C[C@@H](NC(=O)c3cnn[nH]3)C2)nn1 974143435 SREFSIRLBPKFCC-DTORHVGOSA-N 316.325 -0.727 30 20 DBED N#CCN1CCCC2(C1)CN(C(=O)[C@@H]1CCS(=O)(=O)C1)C2 981878149 NNGBMGNIMUPLIW-GFCCVEGCSA-N 311.407 -0.131 30 20 DBED Cn1cc(C(=O)N[C@@H]2CCN(C(=O)C#CC3CC3)C[C@H]2O)cn1 991257412 NQWPUGHNHFECBM-ZIAGYGMSSA-N 316.361 -0.475 30 20 DBED CC#CCN1CC[C@]2(NC(=O)Cn3ncn(C)c3=O)CCC[C@@H]12 991475065 RYIWTXPSNAFTKF-CZUORRHYSA-N 317.393 -0.282 30 20 DBED C=C1CC(C)(C(=O)N2CC[C@@H](NC(=O)c3cnn[nH]3)[C@@H](O)C2)C1 991589851 PULCZZGFDTXHFK-PWSUYJOCSA-N 319.365 -0.147 30 20 DBED C=CCn1cc(C(=O)NC2CN(C(=O)c3ccncn3)C2)nn1 991674365 VNNHSXFPUGGNLC-UHFFFAOYSA-N 313.321 -0.492 30 20 DBED C#Cc1cncc(C(=O)N2CC(NC(=O)c3cncnc3O)C2)c1 994430713 IGMLRRDLWJQHQO-UHFFFAOYSA-N 323.312 -0.187 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](NCC(=O)N2CCOCC2)C(C)(C)C1 995580648 LHGIOCBGZONYPE-QWHCGFSZSA-N 322.409 -0.169 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CNCc2nc(=O)n(C)[nH]2)CC1 997617312 IJLGXBTYTNDIOF-JTQLQIEISA-N 306.370 -0.404 30 20 DBED COCC(=O)N1CCC(=O)NCCN(C(=O)C#CC2CC2)CC1 1001709710 BRBRWRJNSNPONQ-UHFFFAOYSA-N 321.377 -0.777 30 20 DBED C[C@@H](C#N)C(=O)N1CC(CNC(=O)[C@H]2CCCCC(=O)N2)C1 1004226423 HKLHYJJITHVIBQ-CMPLNLGQSA-N 306.366 -0.221 30 20 DBED C#Cc1ccccc1CC(=O)N1C[C@H]2C(NC(=O)C(N)=O)[C@@H]2C1 1013688783 ZRBKDQWYPRCMAZ-CHWSQXEVSA-N 311.341 -0.731 30 20 DBED C=CCN1CC[C@H](N2CC[C@@H](NC(=O)c3cnon3)C2)C1=O 1015877519 WHFQHDYSCULQRP-PWSUYJOCSA-N 305.338 -0.339 30 20 DBED N#CCN1CCC2(CC1)C[C@H]2NC(=O)[C@@H]1CC(=O)NC(=O)N1 1016859124 LHQBJZCWMADKNB-VHSXEESVSA-N 305.338 -0.921 30 20 DBED N#CCN1CCC2(CC1)C[C@@H]2NC(=O)CN1C(=O)CNC1=O 1016964918 NYFATSOPINIIDE-JTQLQIEISA-N 305.338 -0.968 30 20 DBED C=C(C)CN[C@H]1CCN(C(=O)c2c[nH]nc2S(N)(=O)=O)C1 1019358678 LTSMCZVTMQOUBC-VIFPVBQESA-N 313.383 -0.563 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NCC(=O)N2CCC2)C1 1022220923 UMHQCCQHFKHJNK-ZNMIVQPWSA-N 318.421 -0.447 30 20 DBED CC#CCN1CCCC[C@@H]1CNC(=O)[C@@H]1CC(=O)NC(=O)N1 1024685766 MWJJUUNINJDSEG-NEPJUHHUSA-N 306.366 -0.422 30 20 DBED N#Cc1cc(C(=O)N2C[C@@H]3CC[C@H](NCC(N)=O)[C@H]3C2)c[nH]1 1026244522 POFRMXNJJSZWQG-XDTLVQLUSA-N 301.350 -0.188 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@@H](CN[C@H]3CCNC3=O)C2)c1 1026759464 IKCFSNWTUMGHKY-JQWIXIFHSA-N 301.350 -0.173 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2Cc1nnnn1C 1032638012 FFKXQQQIWRNMPJ-RVMXOQNASA-N 318.381 -0.414 30 20 DBED Cn1cc(C(=O)N[C@H]2CCCCN(CC#N)C2)c(=O)n(C)c1=O 1034423366 HEHMKFFEDIRYLX-NSHDSACASA-N 319.365 -0.808 30 20 DBED C#CCN1CCCC[C@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)C1 1034429130 QZQAZDPQUMWEOY-NSHDSACASA-N 320.349 -0.989 30 20 DBED CN1CC[C@@H](C(=O)N[C@@H]2CCCCN(CC#N)C2)S1(=O)=O 1034441052 AADVXOQYTNOFPH-NEPJUHHUSA-N 314.411 -0.485 30 20 DBED C#CCN[C@H]1CCN(C(=O)CCn2ncn(C)c2=O)C[C@H]1CC 1037887834 RTMAKAIUFGEHBK-KGLIPLIRSA-N 319.409 -0.178 30 20 DBED C=CCN1[C@H]2CCC[C@H]1CN(C(=O)CN1CCNC(=O)C1)C2 1039822623 GRXJJBFDYATGCC-KBPBESRZSA-N 306.410 -0.331 30 20 DBED Cc1cc(N2C[C@@H](O)[C@H](NC(=O)c3cn[nH]c3)C2)c(C#N)cn1 1040923007 AIXPHJHAVOCBJL-TZMCWYRMSA-N 312.333 -0.036 30 20 DBED N#Cc1cnccc1N1C[C@@H](O)[C@H](NC(=O)Cc2ccon2)C1 1040959105 RPEUDSCYCSBHLU-TZMCWYRMSA-N 313.317 -0.150 30 20 DBED C=C(C)CCC(=O)N1CC(O)(CNC(=O)CCn2cncn2)C1 1041524601 SYJJVIHKWRRHRC-UHFFFAOYSA-N 321.381 -0.286 30 20 DBED Cn1cccc1C(=O)N1CC(O)(CNC(=O)CSCC#N)C1 1041569444 XUEXLADLVDYTIA-UHFFFAOYSA-N 322.390 -0.415 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)c2ccncc2C)C1 1042040168 POFXFNGKFOUKEU-UHFFFAOYSA-N 319.361 -0.104 30 20 DBED C=C[C@H](C)[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2cn(C)nn2)C1 1042885809 SOPOSRUHJDTDSA-WDEREUQCSA-N 321.381 -0.424 30 20 DBED Cc1nc(CC(=O)NCC2(O)CN(C(=O)C#CC(C)C)C2)n[nH]1 1042968416 KXEZGPPRGKFPDW-UHFFFAOYSA-N 319.365 -0.995 30 20 DBED C[C@H]1C[C@H](NCC#N)CCN1C(=O)CN1CCCS1(=O)=O 1044621927 CRZIRMPIOZLOOT-NWDGAFQWSA-N 314.411 -0.485 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)C2CCC(O)CC2)C1 1045540555 IMIORMQBVQUTBU-VOMCLLRMSA-N 309.366 -0.613 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCNC(=O)CC2)C1 1047470531 TUEMGKFBBDPSLL-IHRRRGAJSA-N 307.394 -0.571 30 20 DBED CN(C(=O)c1ccc2nnn(C)c2c1)[C@H]1CN(CC#N)C[C@@H]1O 1047609229 BSXXIKPTOUUBBX-KBPBESRZSA-N 314.349 -0.391 30 20 DBED N#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC(=O)NC(=O)N1 1049757114 ZECSGKSUJUEKSP-DCAQKATOSA-N 305.338 -0.827 30 20 DBED C=CCCC(=O)N1CC[C@@H]([C@@H](C)NC(=O)Cn2ncnn2)C1 1050267275 AQLZCYSTEQNNIC-VXGBXAGGSA-N 306.370 -0.008 30 20 DBED C=CCOCC(=O)N1CC[C@H]([C@H](C)NC(=O)c2cnn[nH]2)C1 1050303013 GGZQWPYJVMEAFN-QWRGUYRKSA-N 307.354 -0.026 30 20 DBED N#CCN1CCOC[C@@H]1CNC(=O)[C@@H]1CCc2ncncc2C1 1050952627 RPYLQHFLGYYHAZ-OCCSQVGLSA-N 315.377 -0.078 30 20 DBED CN(C[C@@H]1CCCCN1C(=O)C(N)=O)c1nccnc1C#N 1051345432 HVJAEODSXVDKQH-JTQLQIEISA-N 302.338 -0.349 30 20 DBED N#Cc1ccc(NC2CC(CNC(=O)[C@@H]3COC(=O)N3)C2)nn1 1051926342 MLRMVWSXQXIOHC-RFBVYIQQSA-N 316.321 -0.237 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)[C@H]1CN(CC)CCO1)CCO2 1053537347 BUZMXTHCBZQUHS-OAHLLOKOSA-N 321.421 -0.356 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)[C@H]3CCc4cncn4C3)CO2)C1 1053852761 PYQMZFZYRDSLPG-QWHCGFSZSA-N 315.377 -0.071 30 20 DBED C[C@@H](C#N)C(=O)N[C@]1(CO)CCCN(C(=O)c2ncn(C)n2)C1 1056094258 RIYYBHHHHYHPIB-IINYFYTJSA-N 320.353 -0.942 30 20 DBED C[C@@H](C#N)C(=O)N[C@@]1(CO)CCCN(C(=O)c2cnco2)C1 1056096587 JBVZDVBAPXHSAO-HZMBPMFUSA-N 306.322 -0.082 30 20 DBED Cn1nncc1C(=O)N[C@H]1[C@@H]2CN(c3cnc(C#N)cn3)C[C@@H]21 1056194710 OHVQWUWPXWERSJ-IWIIMEHWSA-N 310.321 -0.659 30 20 DBED N#Cc1nccnc1N1C[C@H]2C(NC(=O)Cn3cncn3)[C@@H]2C1 1056219183 YLDQRPKDNCUYBZ-NXEZZACHSA-N 310.321 -0.809 30 20 DBED N#Cc1cccnc1N1C[C@H]2[C@H](NC(=O)[C@@H]3CCC(=O)N3)[C@H]2C1 1056261605 FSRHUTHFUQBCLS-KZVDOYCCSA-N 311.345 -0.217 30 20 DBED CNC(=O)NCC(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@H](C)C#N 1056439904 NXGHGYBELYONTP-UTUOFQBUSA-N 321.381 -0.333 30 20 DBED C=CCO[C@@H](C)C(=O)N1C[C@@H]2CCCN(C(=O)C(N)=O)[C@@H]2C1 1056711429 ONAAOTPTQTXSEB-SDDRHHMPSA-N 309.366 -0.488 30 20 DBED C=C[C@](C)(O)CC(=O)NCCN(CCO)C(=O)Cn1cccn1 1056965037 AHKNUTAPJCLSFA-HNNXBMFYSA-N 324.381 -0.853 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)[C@H]1C[C@@H]1OCC 1057193219 BIMICHASFGLRPJ-STQMWFEESA-N 314.382 -0.449 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)CCCn1cccn1 1057661366 QDMBNQJMUYSSNL-CYBMUJFWSA-N 321.381 -0.240 30 20 DBED C=C(C)C[C@@H](C)C(=O)NCCN(CCO)C(=O)Cn1ncnn1 1057675389 RUMQXEFXAIUFQJ-GFCCVEGCSA-N 324.385 -0.788 30 20 DBED C[C@@]1(C(=O)N[C@H]2C[C@H](Nc3cncc(C#N)n3)C2)CNC(=O)C1 1059355527 SDGSODSEPFFSFP-YHAQOWFVSA-N 314.349 -0.066 30 20 DBED C=CCOCCCC(=O)N1CCOC[C@H]1CNC(=O)COC 1061193869 XSKAMJITQNUCNA-CYBMUJFWSA-N 314.382 -0.041 30 20 DBED CC(C)C#CC(=O)N1CCOC[C@H]1CNC(=O)c1ncn(C)n1 1061553243 XZHZEQWDDPBNPE-GFCCVEGCSA-N 319.365 -0.568 30 20 DBED CC(C)C#CC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1COCCO1 1061566565 PLFNZTJFEAIOAG-KBPBESRZSA-N 324.377 -0.595 30 20 DBED Cc1ccc(C#N)c(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)c2nnn(C)n2)n1 1064325007 ROHDLEXENVQAOB-GRYCIOLGSA-N 324.348 -0.208 30 20 DBED CCCC(=O)NCC(=O)NC[C@H]1CN(C(=O)[C@@H](C)C#N)CCO1 1065557201 ODMURGSTZIYDCU-RYUDHWBXSA-N 324.381 -0.594 30 20 DBED N#Cc1nc(=NCC[C@H]2CCN(C(=O)c3cnn[nH]3)C2)cc[nH]1 1066400328 OYFRIKMAJKXXSK-JTQLQIEISA-N 312.337 -0.147 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](CNC(=O)c3cccnc3)C2)nn1 1067642355 BYECPSJKRDPBJZ-TZMCWYRMSA-N 324.344 -0.030 30 20 DBED C#CCOCCC(=O)N1CCOC2(C1)CN(C(=O)COCC)C2 1068397686 RHVMFHFCIVPSBA-UHFFFAOYSA-N 324.377 -0.497 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1COC2(C1)CN(C(=O)c1ncccn1)C2 1069001937 ALCKTBVBRFSJQR-WDEREUQCSA-N 315.333 -0.264 30 20 DBED CCCN(C)CC(=O)N1CC2(C[C@@H](NC(=O)[C@@H](C)C#N)CO2)C1 1069002837 HXIXBTCHMNSKFH-QWHCGFSZSA-N 322.409 -0.026 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1Cc2ccccc2CN1C(=O)C(N)=O 1069686240 HFFLASPPYYMDMD-ZWNOBZJWSA-N 314.345 -0.299 30 20 DBED C#CCO[C@@H](C)C(=O)NC1(CNC(=O)[C@H](C)C#N)CCOCC1 1070118723 ZOFDPMBNEYEJIP-OLZOCXBDSA-N 321.377 -0.034 30 20 DBED CC#CCN1CCNC(=O)CCN(C(=O)Cc2ncc[nH]2)CC1 1071010478 MWGRDLMVYPWNON-UHFFFAOYSA-N 317.393 -0.374 30 20 DBED C=CCOCC(=O)N[C@@H]1CCCN(C(=O)[C@H]2CN(C)C(=O)N2)C1 1071070189 DURIHSHROZWHNW-VXGBXAGGSA-N 324.381 -0.680 30 20 DBED N#CCN1CCN([C@H]2CCCN(C(=O)c3cc[nH]n3)C2)C(=O)C1 1071255010 CCKOKVSIBZNZAN-LBPRGKRZSA-N 316.365 -0.318 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](C)[C@@H](NC(=O)Cn2ncnn2)C1 1072049991 XNTYPWJHELWWCK-NEPJUHHUSA-N 304.354 -0.704 30 20 DBED C=CCCOCC(=O)N[C@H]1CN(C(=O)Cc2nc[nH]n2)C[C@H]1C 1072776366 WXMALHAAEKYKOV-NEPJUHHUSA-N 321.381 -0.097 30 20 DBED C#CCCN1CCC2(C1)CN(C(=O)CN1CCOCC1=O)C2 1072818125 LUHWBBJCNWVWTH-UHFFFAOYSA-N 305.378 -0.597 30 20 DBED Cc1nc(O)nc(O)c1CC(=O)N1CC2(CCN(CC#N)C2)C1 1073073819 PIIBTKWGGPVYBZ-UHFFFAOYSA-N 317.349 -0.203 30 20 DBED N#CCN1CCC2(C1)CN(C(=O)[C@H]1CCc3nncn3C1)C2 1073454285 JGJXBXCFAZQCRB-LBPRGKRZSA-N 300.366 -0.102 30 20 DBED C#CCCN1CCCO[C@H](CNC(=O)C2CN(C(C)=O)C2)C1 1073582191 FPTGKKOBLRHJEP-OAHLLOKOSA-N 307.394 -0.305 30 20 DBED COCCCC(=O)N1CC(N2CCN(C(=O)[C@H](C)C#N)CC2)C1 1073597075 PUUYCSXNXYIIRI-CYBMUJFWSA-N 322.409 -0.072 30 20 DBED Cc1c(C(=O)N2CC[C@H]3OCCN(CC#N)[C@@H]3C2)nnn1C 1074196062 FXVYIQWQFSYLDM-VXGBXAGGSA-N 304.354 -0.438 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CCN(C(=O)c2cncn2C)CC1 1074634205 WXOGVMCEAAVEOG-LLVKDONJSA-N 319.365 -0.337 30 20 DBED C[C@@H](CCNC(=O)CSCC#N)NC(=O)[C@H](C)CC(N)=O 1075679093 GDRMFYLBOWWPSW-ZJUUUORDSA-N 314.411 -0.234 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)C2CCC(C(=O)N(C)C)CC2)C1 1077992433 XROOYRWNXKKDKF-NEXFUWMNSA-N 321.421 -0.325 30 20 DBED C#CCNC(=O)CC(=O)N1CC(N(CC)C(=O)[C@@H](C)OCC)C1 1079362277 NRLALDZLGHRGOX-GFCCVEGCSA-N 323.393 -0.390 30 20 DBED C=CCOCC(=O)N(CC)C1CN(C(=O)[C@H]2CC(=O)N(C)C2)C1 1079494115 RTDMNYIPCNMKQZ-LBPRGKRZSA-N 323.393 -0.273 30 20 DBED C=CCOCC(=O)N1CC(N(CC)C(=O)CCc2cnn[nH]2)C1 1080574959 XMYVNMSBKQHBCW-UHFFFAOYSA-N 321.381 -0.001 30 20 DBED C=CCCC(=O)NC1(CO)CCN(C(=O)Cn2cnnn2)CC1 1080769319 OUVNKUAQLXWBJD-UHFFFAOYSA-N 322.369 -0.891 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CO)(NC(=O)c2cn(C)nn2)CC1 1080842920 JRJVKXJEJNFDIQ-JTQLQIEISA-N 320.353 -0.942 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H]1CN(C(=O)/C(C)=C\C)C[C@H]1O 1081418762 CHRFBASARYPJJN-WNIKWDQDSA-N 321.377 -0.972 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)c2csnn2)C[C@H]1O 1081463830 SHBAIFXDLWGASW-ZYHUDNBSSA-N 322.390 -0.253 30 20 DBED C#CCOCCC(=O)NC[C@H]1CN(C(=O)C=C(C)C)C[C@@H]1O 1081486715 WEBRKFXTXNEYBG-KBPBESRZSA-N 308.378 -0.072 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cc2n(n1)CCC2 1083100302 DVLMLNLSSLJYIW-UONOGXRCSA-N 301.350 -0.122 30 20 DBED C=CCn1cc(C(=O)N(C)C[C@@H]2CCN2[C@H](C)C(N)=O)nn1 1085860839 JMNNYJRJSRSPKT-MNOVXSKESA-N 306.370 -0.516 30 20 DBED C=CCN1CC[C@H](NC(=O)c2cn(CCOC)nn2)[C@@H](O)C1 1090257859 KUYRFIIAIOTXEX-AAEUAGOBSA-N 309.370 -0.725 30 20 DBED CC[C@H](OC)C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1O 1090373663 KYTVAFIZFOYHCX-MXWKQRLJSA-N 305.338 -0.561 30 20 DBED COCCN1C[C@H](C(=O)NCC2CC(NCC#N)C2)CC1=O 1091057612 VCRZRZWRCAVOFK-OTTFEQOBSA-N 308.382 -0.511 30 20 DBED N#Cc1nc(=N[C@H]2C[C@H](CNC(=O)CCCC(N)=O)C2)cc[nH]1 1091464358 RGPNBVQFNLQUJR-XYPYZODXSA-N 316.365 -0.268 30 20 DBED N#Cc1nc(=N[C@H]2C[C@H](CNC(=O)Cn3nccn3)C2)cc[nH]1 1091482595 PYJAHFZRSAKXIY-XYPYZODXSA-N 312.337 -0.631 30 20 DBED CCOCCC(=O)N[C@H]1CCN(c2nccnc2C#N)C[C@H]1O 1092154466 WZWUHGLQVLEZBH-WCQYABFASA-N 319.365 -0.169 30 20 DBED CC#CCN1C[C@@H](C)[C@H](CNC(=O)c2nnc(O)nc2O)C1 1092784070 PWLYHOFXNBZPOE-NXEZZACHSA-N 305.338 -0.396 30 20 DBED CC(C)(C(N)=O)C(=O)N[C@H]1[C@@H]2CN(c3ccc(C#N)nn3)C[C@@H]21 1093316352 MYRYNFVGECFVOF-IAZYJMLFSA-N 314.349 -0.589 30 20 DBED N#Cc1c[nH]ccc1=NCCNC(=O)[C@@H]1CCCN1C(N)=O 1093708286 NBODLYCRJRJGIS-LBPRGKRZSA-N 302.338 -0.554 30 20 DBED CO[C@H](C(=O)NCCNc1cnc(C#N)cn1)[C@@H]1CCOC1 1094011220 BXNJLFAWYKSOKK-MFKMUULPSA-N 305.338 -0.072 30 20 DBED C=CCCN1CC(N2C[C@H](NC(=O)Cc3nc[nH]n3)CC2=O)C1 1094803609 HUPPUJOMCLJBSQ-LLVKDONJSA-N 318.381 -0.675 30 20 DBED Cn1cnc(C(=O)NCCCNc2cncc(C#N)n2)cc1=O 1094864039 FRVLXQQZONEJKA-UHFFFAOYSA-N 313.321 -0.326 30 20 DBED C#CCN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cn(C)c(=O)nc1O)C2 1095054413 KMOSIYBMOCUQOP-SRVKXCTJSA-N 316.361 -0.298 30 20 DBED C[C@H](CC(N)=O)C(=O)N1CC[C@@H](N=c2cc[nH]cc2C#N)C1 1095077621 RNKMJDVKUYFLMD-ZYHUDNBSSA-N 301.350 -0.101 30 20 DBED C[C@@H](CC(=O)NCCCN(C)c1ccc(C#N)nn1)NC(N)=O 1095640149 FNJFIWFWQIYRAR-JTQLQIEISA-N 319.369 -0.262 30 20 DBED N#Cc1nccnc1N1CC[C@H](NC(=O)C2(C(N)=O)CC2)C1 1096477394 YFZBXICVRJZIOY-VIFPVBQESA-N 300.322 -0.691 30 20 DBED COC(=O)NCC(=O)N1CC[C@H](CNc2cncc(C#N)n2)C1 1098502770 IFQVTXYKDWMVOW-SNVBAGLBSA-N 318.337 -0.035 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)CC2(CCN(CC(N)=O)CC2)O1 1098600196 VLLWVDJKZMTYTD-CYBMUJFWSA-N 319.405 -0.033 30 20 DBED C[C@H](CCNC(=O)Cn1ncnn1)Nc1ncccc1C#N 1099553761 RAOUITBBWHZHQT-SNVBAGLBSA-N 300.326 -0.053 30 20 DBED Cn1ncc(CN2CC[C@@H](NC(=O)CSCC#N)[C@H](O)C2)n1 1099693542 UCLPMPQMZNQQPH-VXGBXAGGSA-N 324.410 -0.877 30 20 DBED N#Cc1nccc(N2CCC[C@@H]2CCCNC(=O)C(N)=O)n1 1099876046 TXBBKMQHACIQLZ-JTQLQIEISA-N 302.338 -0.301 30 20 DBED C=CCCCC(=O)N[C@H]1CCN(Cc2nnn(C)n2)C[C@H]1O 1099975378 AVPKXSAHYSJTCH-NWDGAFQWSA-N 308.386 -0.382 30 20 DBED CN(CCNC(=O)c1cc2n(n1)CCO2)c1cncc(C#N)n1 1100382750 SIXDVWNQTQPSBC-UHFFFAOYSA-N 313.321 -0.197 30 20 DBED CN(CCN=c1cc[nH]cc1C#N)C(=O)[C@@H]1CCC(=O)N1C 1101895313 KKSANZJLRKJTGG-ZDUSSCGKSA-N 301.350 -0.134 30 20 DBED C[C@@H]1CN(C)C[C@@H]1C(=O)N(C)CCN=c1cc[nH]c(C#N)n1 1101970824 KXFLLKCYRLLCFW-NEPJUHHUSA-N 302.382 -0.162 30 20 DBED CC(C)N(CCCNC(=O)CC(N)=O)c1nccnc1C#N 1102086817 ZVYIGIRHMBGZCR-UHFFFAOYSA-N 304.354 -0.055 30 20 DBED CCCN(C(=O)C(N)=O)[C@@H]1CCN(c2ccc(C#N)nn2)C1 1102261844 JVHJOLZQEQTRHJ-LLVKDONJSA-N 302.338 -0.349 30 20 DBED N#Cc1ccc(N2CC[C@@H](CCNC(=O)CNC(N)=O)C2)cn1 1102282711 DYSHZIQNLLZDIZ-LLVKDONJSA-N 316.365 -0.046 30 20 DBED CC[C@@H](CNC(=O)c1cnnn1C)N=c1cc[nH]c(C#N)n1 1103053201 OZOZQMJUEHVQBS-VIFPVBQESA-N 300.326 -0.481 30 20 DBED C#CCN1C[C@@H](C)[C@H](CCNC(=O)c2nccnc2C(N)=O)C1 1103706813 MVAGDBSKAFSFNH-VXGBXAGGSA-N 315.377 -0.104 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)Cc1ccn(C)n1 1103953066 PJJIJQUGZFMMKH-LLVKDONJSA-N 313.365 -0.089 30 20 DBED C[C@H](CNC(=O)Cc1nc[nH]n1)CNc1cncc(C#N)n1 1104077422 PIORDVPUEGWPTO-VIFPVBQESA-N 300.326 -0.127 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CN(c2cnc(C#N)cn2)CCO1 1104301761 KLBBQHHVMAVDGY-CMPLNLGQSA-N 300.322 -0.171 30 20 DBED C[C@@H](CNc1cncc(C#N)n1)N(C)C(=O)[C@H]1CCC(=O)N1 1104496304 NZQQTRYIGPXYHJ-GXSJLCMTSA-N 302.338 -0.114 30 20 DBED CC#CCNCc1cn(C2CN(C(=O)c3cncnc3)C2)nn1 1105218073 VRHLOEWAQIFVEA-UHFFFAOYSA-N 311.349 -0.122 30 20 DBED C#CCNCc1cn(C2CN(C(=O)Cn3cncc3C)C2)nn1 1105283476 PPMQTBQUKZVHRD-UHFFFAOYSA-N 313.365 -0.411 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC(OC2CCN(C(C)=O)CC2)C1 1105680582 FIRRPOTXAZLTTB-GFCCVEGCSA-N 307.394 -0.164 30 20 DBED N#Cc1cnc(NC[C@H](O)CNC(=O)C2=COCCO2)c(F)c1 1105715394 RZFKEEIIQZKVIB-JTQLQIEISA-N 322.296 -0.130 30 20 DBED Cc1cnn(CC(=O)NC[C@H](O)CNc2nccnc2C#N)c1 1105733039 GLHFDXGLVCTIEF-NSHDSACASA-N 315.337 -0.558 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H](O)CNC(=O)c1ccc(O)nn1 1105735351 PMGJJRDMBXRRMC-SNVBAGLBSA-N 314.305 -0.926 30 20 DBED CC(=O)N(C)CC(=O)NC[C@@H](O)CNc1ncccc1C#N 1105755842 XSAQTKDIZQXKED-GFCCVEGCSA-N 305.338 -0.679 30 20 DBED N#Cc1nccnc1NC[C@@H](O)CNC(=O)Cc1cc[nH]n1 1105761313 ATHXILHHZFSGAB-JTQLQIEISA-N 301.310 -0.797 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)CC2OCCCO2)nn1 1105810349 RERMXXAVDIWRIO-NSHDSACASA-N 321.337 -0.610 30 20 DBED CCc1nc(C#N)cc(NC[C@@H](O)CNC(=O)c2cnon2)n1 1105927782 DKXCKZBTDICKAB-SECBINFHSA-N 317.309 -0.504 30 20 DBED C[C@]1(C(=O)NC[C@@H](O)CNc2cncc(C#N)n2)CCOC1 1105939548 VJPXLFGXUBFGIN-FZMZJTMJSA-N 305.338 -0.336 30 20 DBED COCCO[C@H](C)C(=O)NC[C@H](O)CNc1cnc(C#N)cn1 1105963449 QINCCXFDLPCJFG-ZYHUDNBSSA-N 323.353 -0.711 30 20 DBED Cc1nsc(NC[C@H](O)CNC(=O)[C@H]2CCNC2=O)c1C#N 1106051893 OFUPQOGCYKOOIP-BDAKNGLRSA-N 323.378 -0.652 30 20 DBED C#CCO[C@@H](C)C(=O)NCc1cn(C2CN(CC#C)C2)nn1 1107169297 AXHGIXDCSHKKSH-LBPRGKRZSA-N 301.350 -0.578 30 20 DBED C=CCOCC(=O)NC[C@@]1(C)CN(Cc2cn(C)nn2)CCO1 1107811871 ULMFFUZKKBGICW-HNNXBMFYSA-N 323.397 -0.275 30 20 DBED CC(C)OCCN1CC(N2C[C@@H](NC(=O)[C@@H](C)C#N)CC2=O)C1 1108527835 PJIFJTSAZBCLKJ-STQMWFEESA-N 322.409 -0.028 30 20 DBED Cc1nsc(N(C)C[C@@H](C)NC(=O)[C@@H]2CNC(=O)N2)c1C#N 1109210996 NODASXWTYGVVOF-XCBNKYQSSA-N 322.394 -0.055 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H]1CCC(=O)NC1 1109473958 LNONDKJCFMXNPN-KBXIAJHMSA-N 319.405 -0.116 30 20 DBED CC(=O)NCC(=O)N[C@@H]1[C@H]2C[C@H]1N(c1ccnc(C#N)n1)C2 1109671171 VMVLXFNSFLIILV-IMSIIYSGSA-N 300.322 -0.822 30 20 DBED N#Cc1nccc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)CCn2cncn2)n1 1109681579 ZRPRLPDTMANECD-ZETOZRRWSA-N 324.348 -0.277 30 20 DBED N#Cc1ccc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)CCNC(N)=O)nn1 1109708672 LCINDWZAAUHSMC-DFAYQTQMSA-N 315.337 -0.900 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CNC(=O)C1CC1 1110327756 JPYWAGXZCFRGJY-KFWWJZLASA-N 319.405 -0.116 30 20 DBED C[C@H](C#N)C(=O)N[C@]1(CO)CCCN(c2ccnc(C#N)n2)C1 1111343143 NLEPTJBSOJXIGY-IAQYHMDHSA-N 314.349 -0.045 30 20 DBED N#Cc1ccc(NCCN(CCO)C(=O)[C@@H]2CCC(=O)N2)cn1 1111490646 RPVNYJSZKXRDSQ-ZDUSSCGKSA-N 317.349 -0.535 30 20 DBED C#CCOCCC(=O)NC[C@@H]1COCCN1c1cc(F)ncn1 1111700801 XJTMJAXOUIAWSI-GFCCVEGCSA-N 322.340 -0.023 30 20 DBED CC(=O)NCC(=O)N1C[C@@H](C)[C@@H](N=c2cc[nH]c(C#N)n2)C1 1112296572 ZZAIXFXTUFIPRY-KOLCDFICSA-N 302.338 -0.835 30 20 DBED COC(=O)NCC(=O)N1C[C@H](C)[C@H](N=c2cc[nH]cc2C#N)C1 1112298704 ZUQISTQJQNUSGB-GXFFZTMASA-N 317.349 -0.010 30 20 DBED C=CCCO[C@@H](C)C(=O)N1CCN(Cc2nc(=O)n(C)[nH]2)CC1 1112676242 GXBKZXAGALMFQY-LBPRGKRZSA-N 323.397 -0.266 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)c2cc(C)ncn2)CC1 1112769760 WOFICDJXDWVCJW-ZDUSSCGKSA-N 315.377 -0.319 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)[C@H]2CCCOCC2)CC1 1112806711 UPGODLKTQDTTHF-ZDUSSCGKSA-N 308.382 -0.413 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)[C@H]2CC(=O)N(C)C2)CC1 1112908684 CSPRGAXBHZKPNE-STQMWFEESA-N 322.409 -0.700 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)[C@@H]2CCN(C)C2)CC1 1113631778 KTNPPOTXTNWILB-ZIAGYGMSSA-N 308.426 -0.227 30 20 DBED C=C[C@](C)(O)CC(=O)NC1[C@@H]2CN(CC(=O)NCC3CC3)C[C@@H]12 1114193798 HPZISCXLTSDGFR-XNJGSVPQSA-N 321.421 -0.114 30 20 DBED CCn1ncc(C(=O)NC2[C@H]3CN(CC#CCOC)C[C@H]23)n1 1114217139 KMMAMTPFRSMNBH-RYUDHWBXSA-N 303.366 -0.392 30 20 DBED C=C(C)CN1C[C@H]2C(NC(=O)C(C)(C)NS(C)(=O)=O)[C@@H]2C1 1114942300 KDFPWWPYDZHIHQ-GHMZBOCLSA-N 315.439 -0.063 30 20 DBED N#CCNC(=O)CN1C[C@H]2C(NC(=O)CCc3cn[nH]c3)[C@@H]2C1 1114948848 GGDDGLMOPUWYPL-VXGBXAGGSA-N 316.365 -0.972 30 20 DBED Cc1cnoc1C(=O)NC1[C@H]2CN(CC(=O)NCC#N)C[C@H]12 1115064002 ZXCOYQDUPGSWGS-UWVGGRQHSA-N 303.322 -0.717 30 20 DBED C[C@@H](CS(C)(=O)=O)N(C)C(=O)C(=O)N[C@@H]1CC[C@H](C#N)C1 1118179677 CADPXHRHWVUQOG-GARJFASQSA-N 315.395 -0.314 30 20 DBED C=CC[C@@H]1NC(=O)N([C@H]2CCCN(S(C)(=O)=O)C2)C1=O 1119697520 QBRQEBZMDIMUMO-UWVGGRQHSA-N 301.368 -0.093 30 20 DBED CCC(=O)N[C@H](C)C(=O)N(C)C[C@@H](C)N=c1cc[nH]c(C#N)n1 1120799683 GPGOTJCDDWFGBH-GHMZBOCLSA-N 318.381 -0.056 30 20 DBED Cc1cc(C#N)nc(N[C@H](CO)CNC(=O)c2ccon2)n1 1121113469 UGXJRHBRSJWHBI-JTQLQIEISA-N 302.294 -0.153 30 20 DBED Cc1cc(=N[C@H](CO)CNC(=O)c2cn(C)cn2)c(C#N)c[nH]1 1121302391 AUGMFXATVOGXSP-LBPRGKRZSA-N 314.349 -0.380 30 20 DBED C=CCO[C@H](C)C(=O)NC[C@@H](CO)Nc1cncc(C#N)n1 1121757317 RRSXQYOUHSQOIJ-PWSUYJOCSA-N 305.338 -0.172 30 20 DBED Cn1cncc1C(=O)NC[C@@H](CO)N=c1cc[nH]cc1C#N 1122218623 KALUUNWPXWWYTO-NSHDSACASA-N 300.322 -0.689 30 20 DBED CN1CC[C@H](C(=O)NC[C@@H](CO)Nc2ncccc2C#N)C1=O 1122430497 OQGWGFLXNRSYJK-NWDGAFQWSA-N 317.349 -0.679 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)CC2=CCOCC2)nn1 1122480941 WFHRHQSISTYOHS-ZDUSSCGKSA-N 317.349 -0.026 30 20 DBED C[C@H]1CN(C(=O)CNCCNC(=O)CSCC#N)CCO1 1123799441 RYCSTQPFSUAVAE-NSHDSACASA-N 314.411 -0.804 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C[C@H](O)CNc1nccc(OC)n1 1124518781 CXVNBGKKNWAXLP-VXGBXAGGSA-N 322.365 -0.245 30 20 DBED C#CCCNCc1nnc2n1CC[C@H](NC(=O)CC(N)=O)CC2 1127984273 LUSYTJLAYWKLOD-LLVKDONJSA-N 318.381 -0.913 30 20 DBED CC#CCN1CCn2ncc(CNC(=O)[C@@H](C)NC(C)=O)c2C1 1128173071 ZDWCPGVAFGEOBE-GFCCVEGCSA-N 317.393 -0.137 30 20 DBED C=CCNC(=O)CNCCNC(=O)CCNC(=O)[C@H]1C[C@@H]1C 1128634609 UCIATHXIXNVMTF-RYUDHWBXSA-N 310.398 -0.843 30 20 DBED C#CCC1(C(=O)NCCN[C@H](C)C(=O)NC(=O)NC)CCC1 1129141960 ADIUKTVSVOKNLU-LLVKDONJSA-N 308.382 -0.270 30 20 DBED CNC(=O)CN1CC[C@H](c2n[nH]cc2CNC(=O)[C@H](C)C#N)C1 1130361208 ITAAVGSDSHAUAX-MNOVXSKESA-N 318.381 -0.279 30 20 DBED C=CCN[C@@H]1CN(C(=O)CC(=O)NC)C[C@H]1c1cn(C)cn1 1130572152 WDVFKPOSRNKUOE-WCQYABFASA-N 305.382 -0.374 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1n[nH]c2c1CCCC2 1130741033 HFLQILLTGLKKMT-UHFFFAOYSA-N 304.354 -0.752 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@H]1c2c[nH]nc2CC[C@H]1C 1131513890 NPXUARKPBKQULN-IAQYHMDHSA-N 317.393 -0.469 30 20 DBED C#CCNC(=O)CN1CC[C@@]2(C1)CN(C(=O)COC)C[C@H](C)O2 1131614846 BPOWNNVMVFWIBW-XJKSGUPXSA-N 323.393 -0.926 30 20 DBED C#CCOCCC(=O)N1C[C@H](C)O[C@@]2(CCN(CCO)C2)C1 1131662902 ZEZVWFXQUXTKLM-GOEBONIOSA-N 310.394 -0.290 30 20 DBED C#CCN1C[C@H](NC(=O)CNS(=O)(=O)CC)CC[C@@H]1C 1132085904 AQHDLHJCDASKJD-NWDGAFQWSA-N 301.412 -0.472 30 20 DBED C[C@H]1CC[C@H](NC(=O)CCN(C)C)CN1CC(=O)NCC#N 1132274629 XKMVBYOCOHXUMA-STQMWFEESA-N 309.414 -0.453 30 20 DBED C[C@@H](C[C@H](C)NC(=O)c1ccnn1C)NCC(=O)NCC#N 1133870373 CMYZBMQNMSKGNY-QWRGUYRKSA-N 306.370 -0.454 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1ccc2nc(O)[nH]c2c1 1134458331 BCSOSUCOJAFUCV-UHFFFAOYSA-N 315.333 -0.663 30 20 DBED C#CCN1CCC2(C1)CN(C(=O)CCCn1c(O)nnc1O)C2 1147829279 HPHPKKKNFXAASP-UHFFFAOYSA-N 319.365 -0.363 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@@H]1Cc2cccnc2C1 1149187319 AZBGSEOKZHXJEU-CYBMUJFWSA-N 300.362 -0.748 30 20 DBED C=CCCN1CCCO[C@@H](CNC(=O)CS(C)(=O)=O)C1 1149375809 STUMIWZRMSRMAW-LBPRGKRZSA-N 304.412 -0.186 30 20 DBED C[C@]1(C(=O)NC[C@@H]2CN(CC#N)CCCO2)CCNC(=O)C1 1149889341 NMCSRWJYZFTYEC-DOMZBBRYSA-N 308.382 -0.367 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)[C@@H]1CCN(C)C1 1151065850 NRIBDXUZOJPNLZ-CQSZACIVSA-N 308.426 -0.156 30 20 DBED CN(C)[C@@H](C(=O)NCCNCC(=O)NCC#N)c1cccnc1 1152604387 YCLHYGNQCOYXHA-CQSZACIVSA-N 318.381 -0.970 30 20 DBED C=CCO[C@H](C)C(=O)NCCNC[C@H]1CCS(=O)(=O)C1 1153148841 MXFAEBPQUMDNNC-VXGBXAGGSA-N 304.412 -0.282 30 20 DBED CCc1cncc(C(=O)NCCCNCC(=O)NCC#N)c1 1162622199 IIDHMFXABZNUHQ-UHFFFAOYSA-N 303.366 -0.007 30 20 DBED C=CCOCCNCCCNC(=O)[C@@H](CCC)S(N)(=O)=O 1163213473 QXTSYRFDQIEHJY-GFCCVEGCSA-N 321.443 -0.258 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCCCNCC(=O)NC 1170310785 NBTDXSJEJLODDT-LBPRGKRZSA-N 310.398 -0.864 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC[C@@H](NCCN2C(=O)CCC2=O)C1 1182203476 BKGFOIKRFCUWCO-MLGOLLRUSA-N 323.393 -0.347 30 20 DBED C#CCOCCC(=O)N1CC[C@H](CNCC(=O)NC)[C@H](C)C1 1184388296 WFDLPTDXJPTPFZ-ZIAGYGMSSA-N 309.410 -0.154 30 20 DBED C[C@H]1CN(C(=O)Cn2c(O)nnc2O)CC[C@H]1CNCC#N 1185576246 ZQPRVAXNUOBBQQ-UWVGGRQHSA-N 308.342 -0.713 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)C(=O)C(C)(C)C)[C@@H]2C1 1187325937 FHYQMYKEIOOJFL-QWHCGFSZSA-N 319.405 -0.116 30 20 DBED C[C@@H]1CCCN1CC(=O)N1CC[C@H](N(C)CC(=O)NCC#N)C1 1192342571 HAQJSNBXQVIEKR-KGLIPLIRSA-N 321.425 -0.357 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@@H]1CCN(C(=O)CCCC(N)=O)C1 1194485979 YNTXYKOCKPFASW-CHWSQXEVSA-N 322.409 -0.687 30 20 DBED C=C(C)CCN1CCCN(C(=O)CNS(=O)(=O)NC)CC1 1196655878 LGFWJWWUEZZBCE-UHFFFAOYSA-N 318.443 -0.459 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)C(=O)NCC2CC2)C1 1197289009 NRMLHOHBQRVGGG-GHMZBOCLSA-N 301.774 -0.574 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CCN(C(=O)C2=COCCO2)CC1 1199178159 TUIFEXMYTUBBFX-GFCCVEGCSA-N 321.377 -0.407 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC(NCc2nnnn2C)CC1 1200495268 NZUCFORZLLWVPJ-LLVKDONJSA-N 306.370 -0.671 30 20 DBED Cn1ccc(C(=O)N2CCCO[C@@H](CNCC#N)C2)cc1=O 1200823059 BWACCIDJMVXUDK-ZDUSSCGKSA-N 304.350 -0.270 30 20 DBED CN1CCC(OCC(=O)N2CCCO[C@H](CNCC#N)C2)CC1 1201726230 JSGGUHADAYDPPA-OAHLLOKOSA-N 324.425 -0.172 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)c2csc(O)n2)CC1 1202092742 QZUQQHNPXJLDJF-UHFFFAOYSA-N 322.390 -0.208 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2cccnc2)[C@H](C)C1 1205740111 BHDBLSILJNOBAB-TZMCWYRMSA-N 300.362 -0.119 30 20 DBED C=CCNC(=O)CNCC1CCN(C(=O)c2nc[nH]n2)CC1 1206635078 GXNMWPVKMZCUEY-UHFFFAOYSA-N 306.370 -0.451 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(CC(=O)N2CCC2)C[C@H]1C 1206963932 ROPNKJGZWCREOR-MGPQQGTHSA-N 307.394 -0.307 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCCN(C(=O)Cc2cc[nH]n2)C1 1207731450 KRFDESDQIQTRTA-JSGCOSHPSA-N 317.393 -0.329 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC[C@@H](NCCN2CCNC2=O)C1 1208025998 VYLGIWDSDNOUHL-UONOGXRCSA-N 322.409 -0.370 30 20 DBED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)C=C1CCC1 1212104369 MNBJSGCKKXTOHR-CHWSQXEVSA-N 306.366 -0.448 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2conc2C)[C@H](OC)C1 1213365008 QKPXNRLVEVLZHP-CHWSQXEVSA-N 320.349 -0.839 30 20 DBED C[C@H](OCC1CC1)C(=O)N1C[C@@H](NCC(=O)NCC#N)[C@H](C)C1 1214276279 YFGYPEGEWGUHRI-MBNYWOFBSA-N 322.409 -0.122 30 20 DBED C=C(C)CN(CC)C(=O)[C@@H](C)N[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C 1215439211 RMTZMCFAASDBDP-JHJVBQTASA-N 324.425 -0.279 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)Cc2nonc2C)C[C@H]1C 1216139640 BJKSFXLQAFHGQJ-ZWNOBZJWSA-N 319.365 -0.894 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CN(CC(=O)NCc2ccco2)C[C@@H]1O 1219379338 RMRVEHKMBYRCMX-UHTWSYAYSA-N 320.349 -0.783 30 20 DBED C=CCN1CC[C@H](N2C[C@H](O)[C@H](NC(=O)/C(C)=C/C)C2)C1=O 1219443341 OIKBVJDSRADPNC-XMASSBRRSA-N 307.394 -0.099 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)CCCS(C)(=O)=O)C1 1220528197 CTUDQFOKSMEBDW-MNOVXSKESA-N 324.830 -0.275 30 20 DBED C=CCCCN1C[C@H](O)[C@H](NC(=O)C[C@H]2CC(=O)NC2=O)C1 1221200137 HQWCCIXTVFVLNA-TUAOUCFPSA-N 309.366 -0.833 30 20 DBED Cc1cc(C(=O)N2C[C@H]3CCN(CC(=O)NCC#N)C[C@H]32)no1 1221243796 QRDDDUUEKYNZAC-DGCLKSJQSA-N 317.349 -0.231 30 20 DBED CNC(=O)NC(=O)CN1CC[C@@H]2CN(C(=O)C#CC3CC3)[C@@H]2C1 1221531905 IHLPEZWADMZDEB-CHWSQXEVSA-N 318.377 -0.612 30 20 DBED C=CCNC(=O)CN1CCC(CNC(=O)[C@@H](C)NC(C)=O)CC1 1222310042 QLJOQJQRMLOFHE-GFCCVEGCSA-N 324.425 -0.359 30 20 DBED CCO[C@@H]1C[C@H]1C(=O)NCC1CCN(CC(=O)NCC#N)CC1 1222477321 RQBOXRBKAXVAKW-ZIAGYGMSSA-N 322.409 -0.121 30 20 DBED C#CCCN1CCC(NC(=O)CC[C@@H]2NC(=O)NC2=O)CC1 1230226353 JLFRPRRVCQUKEX-LBPRGKRZSA-N 306.366 -0.422 30 20 DBED C=C(Cl)CN1CCS(=O)(=O)[C@H](CCNC(=O)COC)C1 1230396863 UOVGDUAJBHEKLD-LLVKDONJSA-N 324.830 -0.009 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)[C@@H](C)n1cccn1 1230848388 FQELZZGIKYSCRP-ZIAGYGMSSA-N 317.393 -0.274 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@@H]1CN(C)C(=O)c1cnnn1C 1233990169 HFRRENITENMZDS-NWDGAFQWSA-N 318.381 -0.901 30 20 DBED C=CCOCCN1CC[C@H]1CN(C)C(=O)C1CS(=O)(=O)C1 1234500523 UWTRFYXIJSJMQU-ZDUSSCGKSA-N 316.423 -0.234 30 20 DBED C#CCNC(=O)C1CCN(C(=O)C(=O)NCCOCC=C)CC1 1261670160 DVWXTOUNCHWJBG-UHFFFAOYSA-N 321.377 -0.707 30 20 DBED C#CC[C@@H](CO)NC(=O)Cc1ccc(S(=O)(=O)NC)cc1 1261742421 UNRWYBMCVQJMGH-LBPRGKRZSA-N 310.375 -0.362 30 20 DBED Cc1ccc2nc(Cn3c(=O)[nH]cc(C#N)c3=O)cc(=O)n2c1 1307359321 DPWLAFOFKYFWOM-UHFFFAOYSA-N 309.285 -0.227 30 20 DBED CN(CCC#N)C(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1 1319859643 BLDDFMSEVAIPQP-UHFFFAOYSA-N 310.335 -0.355 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)Nc1ccn(CC(=O)N(C)C)n1 1320306125 MNPBOTVSUBBROG-SNVBAGLBSA-N 323.353 -0.773 30 20 DBED Cc1ccc(NC(=O)C(=O)N(C)CCC#N)cc1S(N)(=O)=O 1321465569 LIUVKZJJTRERPA-UHFFFAOYSA-N 324.362 -0.047 30 20 DBED C#CCOCCNC(=O)C(=O)N(CC)Cc1ccn(CC#C)n1 1323262925 VPPBEYFFNUAVOG-UHFFFAOYSA-N 316.361 -0.369 30 20 DBED CCCN(C(=O)C(=O)N1CCO[C@@H](C#N)C1)[C@H]1CCN(C)C1 1326264520 BXZUBXSALNRGFE-STQMWFEESA-N 308.382 -0.320 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@H]2C[C@@H](OCC)C2)C1=O 1326413867 AAPPWSOMPNWCOV-FRRDWIJNSA-N 323.393 -0.085 30 20 DBED C=CCOCCNC(=O)C(=O)N(C)CCS(=O)(=O)CC 1327052026 APCWSIHJIVVEGA-UHFFFAOYSA-N 306.384 -0.802 30 20 DBED C#CCN(CC1CC1)C(=O)NCCOCCS(N)(=O)=O 1327745392 OCCDWTJPRNQXAP-UHFFFAOYSA-N 303.384 -0.654 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CCC[C@H](C(=O)NC2CC2)C1 1329626044 IRZYPHIMULOSDA-NWDGAFQWSA-N 323.393 -0.179 30 20 DBED C[C@@H](CC(N)=O)NC(=O)C(=O)Nc1ccc(OCC#N)cc1 1330722483 YUIFTRFSCHPCHN-VIFPVBQESA-N 304.306 -0.092 30 20 DBED C#CC1CCN(C(=O)C(=O)NCc2nc3ncccn3n2)CC1 1332265911 HHNULJVZXTWXNQ-UHFFFAOYSA-N 312.333 -0.388 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCC2(CC1)NC(=O)NC2=O 1333073045 FLHMFSDBKRFLKM-NSHDSACASA-N 304.350 -0.715 30 20 DBED C=CCNC(=O)CNC(=O)C(=O)Nc1cc(C)cn(C)c1=O 1341855025 HHLMLQPSCLLGMF-UHFFFAOYSA-N 306.322 -0.949 30 20 DBED C=CCn1c(C[C@H](C)O)nnc1N1CCO[C@H](C(=O)OC)C1 1342132468 YMRXVOARVSFYIQ-QWRGUYRKSA-N 310.354 -0.234 30 20 DBED N#Cc1cn(CCNC(=O)C2(O)CCSCC2)c(=O)nc1O 1363285501 GHHOPNZGVFJJNO-UHFFFAOYSA-N 324.362 -0.805 30 20 DBED C[C@@H](C(=O)N1CC(CN2CCN(C)CC2)C1)n1cnc(C#N)n1 1363336747 KAAALEDWBYFVSH-LBPRGKRZSA-N 317.397 -0.583 30 20 DBED N#Cc1cn(CC(=O)N[C@@H](CCO)C(F)(F)F)c(=O)nc1O 1363501024 OHUFBNPRUKKDMT-ZETCQYMHSA-N 320.227 -0.750 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1cccc2nccn12 1376657477 UKOFKEAIULDJKR-WDEREUQCSA-N 315.333 -0.299 30 20 DBED C[C@H](C#N)C(=O)NCCN1CCN(C(=O)c2ccnnc2)CC1 1385569624 BNHXJZLUSLBJTH-GFCCVEGCSA-N 316.365 -0.490 30 20 DBED C[C@H](C#N)C(=O)N(C)CCN(C)C(=O)c1c[nH]c(C(N)=O)c1 1388996911 JNNIQYGAVBGDRW-SECBINFHSA-N 305.338 -0.196 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)CCc2cnn(C)c2)C1 1396379966 WKWOBPMRWITYQU-RAIGVLPGSA-N 319.365 -0.800 30 20 DBED CN(C[C@H](O)Cc1ccccc1)c1[nH]c(=O)n(C)c(=O)c1C#N 1413886769 BKMSYKSFCDRHKV-GFCCVEGCSA-N 314.345 -0.015 30 20 DBED C[C@@H](CNC(=O)Cn1ccc(O)nc1=O)N(C)C(=O)[C@H](C)C#N 1426695855 HKVBQCQCKHGZLB-ZJUUUORDSA-N 321.337 -0.928 30 20 DBED Cc1cncc(CC(=O)NC[C@@H](O)CNC(=O)[C@H](C)C#N)c1 1431559141 FGGKIJMJGBXVNX-DGCLKSJQSA-N 304.350 -0.315 30 20 DBED C=C(Cl)CN1CC[C@H]1CNC(=O)CN1CCC(=O)NC1=O 1439561828 OFGUBVAENRRYSC-JTQLQIEISA-N 314.773 -0.129 30 20 DBED CNC(=O)NCC(=O)NC[C@@H](O)CNCc1cccc(C#N)c1 1445190081 FGCFQLYHNJNDMG-ZDUSSCGKSA-N 319.365 -0.946 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](C)CCNC(=O)CCNS(C)(=O)=O 1455041335 PKSOPIFOAIHUMA-VHSXEESVSA-N 318.399 -0.904 30 20 DBED C=CCCN1CCC[C@H](NC(=O)CNC(=O)CNC(C)=O)C1 1479906196 RCGHHRBJFIUUNZ-ZDUSSCGKSA-N 310.398 -0.605 30 20 DBED C#CCNC(=O)CN1CCC[C@@H](NC(=O)CN(C)C2CCC2)C1 1566626022 YGKLHTGZTYHSGK-CQSZACIVSA-N 320.437 -0.199 30 20 DBED C=CCN1CC[C@H](N2CC[C@@H](CNC(=O)CNC(=O)O)C2)C1=O 1573368798 RTVXBPYTGPSZPP-RYUDHWBXSA-N 324.381 -0.521 30 20 DBED C#CC[C@H](NC(=O)COCC(=O)NCc1cccnc1)C(=O)O 1588404717 HBBVLYCICYCFQM-LBPRGKRZSA-N 319.317 -0.693 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H](Cn1cncn1)C(=O)O 1588547996 PIZFRAGDZGGUJG-MNOVXSKESA-N 309.326 -0.682 30 20 DBED C[C@H](C(=O)N[C@H](Cc1ccncc1)C(=O)O)n1cnc(C#N)n1 1588552646 YATMDVIVTLWYKE-MWLCHTKSSA-N 314.305 -0.082 30 20 DBED N#CCNC(=O)CNC(=O)c1ccc(-c2nn[nH]n2)c(Cl)c1 1592677585 GNBPMECQPGRWES-UHFFFAOYSA-N 319.712 -0.110 30 20 DBED N#Cc1cc(C(=O)N2CCN(C(=O)[C@@H]3C[C@@H]3C(=O)O)CC2)c[nH]1 1601085211 WECDBNKFZUZPBD-NEPJUHHUSA-N 316.317 -0.109 30 20 DBED COCCc1nc(Cn2cnc(-c3nn[nH]n3)c2C#N)no1 1605123376 OWAPPOVDWAKYGT-UHFFFAOYSA-N 301.270 -0.445 30 20 DBED N#Cc1nc(NCCN2CCOCC2)cnc1-c1nn[nH]n1 1606393644 ZZLYZPLJERXOGD-UHFFFAOYSA-N 301.314 -0.728 30 20 DBED C[C@@H](C(=O)N1CC[C@@](F)(C#N)C1)n1cnc(-c2nn[nH]n2)n1 1609067843 AAJZQQYSIVOWMA-WRWORJQWSA-N 305.277 -0.517 30 20 DBED N#Cc1ccc(S(=O)(=O)N2CCC[C@H](O)[C@@H]2C(=O)O)o1 1610630402 YNKIKPNHGFGMCJ-WCBMZHEXSA-N 300.292 -0.250 30 20 DBED Cn1c(=O)[nH]c(N2CCN3CC(F)(F)C[C@H]3C2)c(C#N)c1=O 1646636672 YNJXZLXURUZMNP-QMMMGPOBSA-N 311.292 -0.525 30 20 DBED CC(=O)N1CCN(C(=O)CN2CCN(CCC#N)CC2)CC1 1649966099 BAXOIXSSRGCOAV-UHFFFAOYSA-N 307.398 -0.792 30 20 DBED CN1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1O 1702164365 JVKLZXFHPTXRCN-MGPQQGTHSA-N 321.421 -0.182 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@H]1CCOC1 1713904061 PFSUQAYNUUMVKC-KFWWJZLASA-N 319.405 -0.162 30 20 DBED CC(C)(C)n1cnc(C(=O)NCCN2CCN(CC#N)CC2)n1 1752372938 LPVZSKCZHZCGCU-UHFFFAOYSA-N 319.413 -0.096 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1C[C@@H](NC(=O)Cc2cc(C)on2)C1 1752719639 HFYRJDOCBXIAEJ-UPJWGTAASA-N 318.377 -0.100 30 20 DBED COCCC(C)(C)C(=O)N[C@H]1C[C@@H](NCC(=O)NCC#N)C1 1752771919 HAXWQACBUUDQEM-TXEJJXNPSA-N 310.398 -0.074 30 20 DBED C#CCO[C@@H](C)C(=O)NC1CN([C@H]2CCN(CC=C)C2=O)C1 1753377765 LAUYJIASHIUEBG-JSGCOSHPSA-N 305.378 -0.388 30 20 DBED N#CCNCC[C@@H]1CCCCN1C(=O)CCCS(N)(=O)=O 1753786351 YEQGIPYLLCBXKP-LBPRGKRZSA-N 316.427 -0.061 30 20 DBED C#CCNC(=O)CN(C)CCN(C)C(=O)c1ncccc1O 1753851416 DIGYWCAFTITOLN-UHFFFAOYSA-N 304.350 -0.460 30 20 DBED C#CCNC(=O)CNC[C@@H]1CCC[C@@H]1NC(=O)Cc1cc[nH]n1 1753882318 KOICASCSJDLWON-JSGCOSHPSA-N 317.393 -0.424 30 20 DBED C#Cc1cncc(C(=O)NC[C@@H](O)CNCc2cnnn2C)c1 1753927037 BMEDQPKFYGTJPG-AWEZNQCLSA-N 314.349 -0.928 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@@H](C)NC(=O)Cc1ccn(C)n1 1754225461 XTBKRDOFAJICTQ-VXGBXAGGSA-N 305.382 -0.805 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC[C@@H]1CNC(=O)c1cnn(CC)n1 1754483864 PZZDTHPKNWUPRA-VXGBXAGGSA-N 320.397 -0.207 30 20 DBED C=CCCCN1CC[C@@H]1CNC(=O)CN1CCN(C)C(=O)C1 1754488306 ZZPSDEWLBLXKBR-CQSZACIVSA-N 308.426 -0.083 30 20 DBED C#CCNC(=O)CN1CC[C@](C)(NC(=O)c2ccnnc2C)C1 1754676843 UDNCMPHFWOSVDM-INIZCTEOSA-N 315.377 -0.271 30 20 DBED C=C(C)CCN1CC[C@@](O)(CNC(=O)CCNC(=O)NC)C1 1754749366 UKWAYSYXQJCCGB-OAHLLOKOSA-N 312.414 -0.175 30 20 DBED C#CCN1CC[C@](O)(CNC(=O)[C@H](NC(C)=O)C2CCCC2)C1 1754753313 YNGKULPBLZWFFV-WBVHZDCISA-N 321.421 -0.133 30 20 DBED C[C@H](NCC(=O)NCC#N)[C@@H]1CN(C(=O)C#CC2CC2)CCO1 1755441507 GSESBLBNEMWSAZ-JSGCOSHPSA-N 318.377 -0.755 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H](C)N(C)C(=O)CCn1ccnn1 1756026144 AMVKAMWKRBPHMF-QWHCGFSZSA-N 321.381 -0.330 30 20 DBED C#CCOCCC(=O)N1CC([C@@H](C)NC(=O)[C@H]2CCNC2=O)C1 1756152572 SWNUXCGFDFBLLO-YPMHNXCESA-N 321.377 -0.875 30 20 DBED C[C@@H]1C[C@@H](NC(=O)CC(=O)N(C)C)CN1C(=O)C#CC1CC1 1756588126 NSUUJWPHZBOKQX-DGCLKSJQSA-N 305.378 -0.016 30 20 DBED C=CCO[C@@H](C)C(=O)NC[C@H](O)CN(C)C(=O)c1ccncn1 1756676524 IYMBJXFWCCIIGR-RYUDHWBXSA-N 322.365 -0.383 30 20 DBED C#CCNC(=O)CNS(=O)(=O)c1ccc(CC(=O)O)cc1 1776135057 SVJXFBJTMDKBJV-UHFFFAOYSA-N 310.331 -0.659 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cnc(N)s1)CCO2 1783049770 QURROTGMDYXJSG-AWEZNQCLSA-N 320.374 -0.198 30 20 DBED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)NC=O)CCO2 1785427600 GCUFQGVPOIQIMP-BBRMVZONSA-N 321.377 -0.636 30 20 DBED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CC 1792865371 QEJQWMMSQFFWTF-XFMPKHEZSA-N 308.378 -0.240 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nccs1)C2 1800451363 YEQBSTQWLQKCSO-PEGIJTEDSA-N 305.359 -0.021 30 20 DBED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)C1=COCC1)C2 1846197195 FISQHOOUHHJAKG-UHFFFAOYSA-N 304.302 -0.418 30 20 DBED N#Cc1cccc(CS(=O)(=O)N2CCN(CCO)CC2)c1 35233819 LADOYQWVNYLRHW-UHFFFAOYSA-N 309.391 -0.002 30 20 DBED C=CCNC(=O)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 92631654 ZFFHUBREOMYUGV-UHFFFAOYSA-N 301.306 -0.188 30 20 DBED C=CCNC(=O)NC(=O)CN1CCC(N(C)CCCO)CC1 115547143 VTLFSXZXAOBXJH-UHFFFAOYSA-N 312.414 -0.223 30 20 DBED CS(=O)(=O)NCCCNS(=O)(=O)c1ccc(C#N)nc1 227429824 ZVHRACJLTCHHBL-UHFFFAOYSA-N 318.380 -0.829 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@](C)(CN)CC(C)C)C1=O 262577842 KJDXVMFNKUWHLR-OAHLLOKOSA-N 324.381 -0.157 30 20 DBED Cn1c(N[C@@H](CO)Cc2ccccc2)c(C#N)c(=O)n(C)c1=O 264155596 RFRZXBHCYISFKI-GFCCVEGCSA-N 314.345 -0.029 30 20 DBED C#CCN(CC)C(=O)C(=O)Nc1c(OC)ncnc1N(C)C 271707697 VHNLWWZECNYQDN-UHFFFAOYSA-N 305.338 -0.029 30 20 DBED C[C@H](NS(=O)(=O)c1cccs1)C(=O)NCC#CCO 282860803 HMSNLEKADATESB-VIFPVBQESA-N 302.377 -0.473 30 20 DBED CNC(=O)NC(=O)CN1CC[C@@H](Oc2ccc(C#N)cn2)C1 292360311 XZHQSTRPSVDJTH-LLVKDONJSA-N 303.322 -0.138 30 20 DBED C[C@@H](CCS(C)(=O)=O)NS(=O)(=O)N(C)[C@@H](C)CC#N 332496362 GYNOINBONZHUHL-UWVGGRQHSA-N 311.429 -0.122 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 332685596 OMBOROFRTURIFA-QMMMGPOBSA-N 322.346 -0.003 30 20 DBED COC1(C)CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)CC1 336933844 DIYSZOOOESWEFE-LLVKDONJSA-N 303.384 -0.044 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)NCC1(O)CCOCC1 336943995 LYLCBXWIENSXNI-LLVKDONJSA-N 305.400 -0.156 30 20 DBED C=C[C@H](CO)NC(=O)CCNS(=O)(=O)c1cn(C)c(C)n1 356863245 RBSBYDLCYYUZNJ-SNVBAGLBSA-N 316.383 -0.940 30 20 DBED Cc1cc(NC(=O)C(=O)N2CC[C@@H](C)[C@H](O)C2)nn1CCC#N 357725625 BDSVKZWJLZOCEF-ZYHUDNBSSA-N 319.365 0.273 30 20 DBED N#CCNC(=O)CNC(=O)N1CCN(Cc2ccon2)CC1 358273736 KOTJDUTUBFXYFA-UHFFFAOYSA-N 306.326 -0.858 30 20 DBED C=CCOC[C@@H](NC(=O)CNC(=O)c1ccco1)C(=O)OC 360737603 MTRXEOHUHNTYOZ-SNVBAGLBSA-N 310.306 -0.130 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1CC[C@@H]2COC(=O)N[C@H]2C1 366873444 ZJAIRBSCUSGMKG-AXFHLTTASA-N 310.354 -0.183 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N1CCNC(=O)C[C@@H]1C 374713230 DYHCXSRMKIUUBL-JTQLQIEISA-N 303.384 -0.493 30 20 DBED N#CCC1(O)CN(C(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)C1 408282487 XJVGCCAHPOTWLD-XRRVDJEJSA-N 315.329 -0.720 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2CCNC(C)(C)C2)C1=O 423486760 CDWBWKSNXRKNIN-GFCCVEGCSA-N 322.409 -0.558 30 20 DBED CN(C)S(=O)(=O)NCCNc1nccc(C#N)c1Cl 450527127 XQBZNQWJBFRPOF-UHFFFAOYSA-N 303.775 0.415 30 20 DBED N#CCN(C1CC1)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 520134587 GEBFHCMKBNSSLB-UHFFFAOYSA-N 320.330 -0.107 30 20 DBED N#Cc1ccc(F)c(CS(=O)(=O)N[C@H](CO)C(=O)O)c1 548206193 NGTNBMDMTQIKSD-SNVBAGLBSA-N 302.283 -0.438 30 20 DBED N#C[C@H]1CN(S(=O)(=O)NC[C@H]2CCC[C@@H](CO)C2)CCO1 557863039 IIOIHBKUGLJEIH-XQQFMLRXSA-N 317.411 -0.156 30 20 DBED C[C@@H]1CCN(C(=O)C(=O)N2CCO[C@@H](C#N)C2)C[C@@H]1C(=O)O 577394443 ARRLGZCKUWKYPU-VWYCJHECSA-N 309.322 -0.693 30 20 DBED CC(C)(C)CN(CC(=O)O)S(=O)(=O)N1CCO[C@@H](C#N)C1 596026219 FEUBAZNJHKDYGS-JTQLQIEISA-N 319.383 -0.112 30 20 DBED C[C@@H]1CN(C(=O)C(=O)N2CCN(CCC#N)CC2)[C@H](C)CO1 601431959 UUYXFLCWPSLDMP-CHWSQXEVSA-N 308.382 -0.320 30 20 DBED COc1cnccc1CNc1c(C#N)c(=O)n(C)c(=O)n1C 619570150 NPFRILWWPWUYJN-UHFFFAOYSA-N 301.306 -0.029 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N1CCN(CCO)C(C)(C)C1 619751466 IELVDHKLVOMMRX-GFCCVEGCSA-N 318.443 -0.146 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCC(=O)OC(C)C)C1=O 729383752 SOSROUVYTHAUCD-UHFFFAOYSA-N 311.294 -0.969 30 20 DBED C#C[C@H](N[C@H](C)C(=O)N1CCC(C(N)=O)CC1)[C@@H]1CCCO1 775796422 YIIOCXPVTZCOEU-XBFCOCLRSA-N 307.394 -0.131 30 20 DBED N#CCN1CCC(NC(=O)C(=O)NCCOC2CCC2)CC1 805060809 JSSRLEBLXXKXID-UHFFFAOYSA-N 308.382 -0.224 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)Cc1nc(C2CC2)nn1C 829929587 YGWGVCKGEQPROK-UHFFFAOYSA-N 321.337 -0.210 30 20 DBED CS(=O)(=O)Nc1cccc(CC(=O)N[C@H]2CNC[C@@H]2C#N)c1 834485359 VPPZXMHCBBFQCN-AAEUAGOBSA-N 322.390 -0.172 30 20 DBED C#C[C@H](NC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1OC)[C@@H]1CCCO1 852259138 DSQZEILXZXBGCM-USZNOCQGSA-N 316.379 -0.722 30 20 DBED C#CC[C@@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CC(C)C 854542364 PZBYMSAGTAXPHC-JSGCOSHPSA-N 320.393 -0.017 30 20 DBED C#CCOCCC(=O)N1CCS(=O)(=NS(C)(=O)=O)CC1 854591675 WDDJZLSVPIGYLF-UHFFFAOYSA-N 322.408 -0.704 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)NCCn1ccnc1C 875153378 DCJYGALPDVKOEX-ZDUSSCGKSA-N 306.366 -0.148 30 20 DBED C#C[C@H](NC(=O)N1CCC(C(=O)NCCO)CC1)[C@H]1CCCO1 875506093 CDMLBLBKEYPBIA-UONOGXRCSA-N 323.393 -0.303 30 20 DBED CN(C(=O)COC(=O)CN1CCCS1(=O)=O)C(C)(C)C#N 919358262 DETBPEFFGYSPEW-UHFFFAOYSA-N 317.367 -0.674 30 20 DBED CC[C@@H]1C(=O)NCCCN1S(=O)(=O)N(C)C[C@@H](C)C#N 922015579 RSSIWENBSRAOSH-WDEREUQCSA-N 302.400 -0.077 30 20 DBED C#Cc1cncc(C(=O)N[C@H]2CCN(C(=O)c3cn(C)nn3)C2)c1 938703300 XCKTVWCJTCKFHY-ZDUSSCGKSA-N 324.344 -0.164 30 20 DBED C=CCn1cc(C(=O)N2CC[C@@H](NC(=O)[C@@H]3CCCO3)C2)nn1 939295670 UEFZEMRYFIWXIK-YPMHNXCESA-N 319.365 -0.026 30 20 DBED C#CCCN1CC[C@@H](NC(=O)C2CC(=O)NC(=O)C2)[C@@H](C)C1 943546811 DZYBGJQSHMFDKL-WCQYABFASA-N 305.378 -0.111 30 20 DBED CS(=O)(=O)CC(=O)N1CC[C@@H]1CNC(=O)c1cc(C#N)c[nH]1 949284223 YMTSLDUGGKNFLS-SNVBAGLBSA-N 324.362 -0.738 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@@H]2CNC(=O)c2nc[nH]n2)cn1 951586588 IFLQWDIWEIQRTG-GFCCVEGCSA-N 310.317 -0.175 30 20 DBED COc1cc(C(=O)NC[C@H]2CN(CC#N)C[C@H]2O)cc(C)n1 958334769 QBUBFJNGIAZYBT-QWHCGFSZSA-N 304.350 -0.055 30 20 DBED C#CCCN1C[C@H](CNC(=O)c2cc3ncccn3n2)[C@@H](O)C1 958493053 CSLCHYXSGLLHJI-JSGCOSHPSA-N 313.361 -0.225 30 20 DBED C#CCCN1C[C@@H](O)[C@@H](CNC(=O)c2cncc(C(N)=O)c2)C1 958695002 LAZZPHWHDZYOPW-UONOGXRCSA-N 316.361 -0.774 30 20 DBED CN(C(=O)C[C@@H]1CCOC1)[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 958769378 DNVADCQRELGRFN-KKUMJFAQSA-N 320.389 -0.144 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]2[C@@H]1CCN2C(=O)C(N)=O 963584744 ZQPVOBIZGSWTTN-VOAKCMCISA-N 321.377 -0.345 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)c1cnc(O)n1C 964288684 HSLHXJZSFLSXIT-ZJUUUORDSA-N 321.337 -0.757 30 20 DBED C[C@@H](C(=O)N[C@@H]1CCCN(C(=O)[C@H](C)C#N)C1)N1CCOCC1 965988750 CHJRNVQERQMMLK-HZSPNIEDSA-N 322.409 -0.026 30 20 DBED CN([C@H]1CCNC1=O)[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 971289259 QSQWJFMYFAGVNT-YPMHNXCESA-N 301.350 -0.079 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)Cn3cncn3)C2)cn1 973485324 UCTSODOURPNPGV-HDJSIYSDSA-N 324.344 -0.268 30 20 DBED CC#CCN1C[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C(C)(C)C1 974598858 KBLLMFRAJOCQGU-LLVKDONJSA-N 318.381 -0.773 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]1CN(C)C(=O)C1CC(=O)NC(=O)C1 978015489 OMOVRDRLHFRONM-GXSJLCMTSA-N 320.349 -0.742 30 20 DBED C[C@H](C(N)=O)N1C[C@H]2[C@H](CNC(=O)c3ccc(C#N)[nH]3)[C@H]2C1 978024451 UTYBXCDLJOFSRY-HKWIRBFKSA-N 301.350 -0.332 30 20 DBED C#CCN[C@@H]1CCC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 981099158 UVYIIEPOJSKKGK-GHMZBOCLSA-N 304.354 -0.973 30 20 DBED C=CCN[C@@H]1C[C@@H](C)N(C(=O)CN2CCS(=O)(=O)CC2)C1 989788340 FCJVVGFAXGVTSQ-CHWSQXEVSA-N 315.439 -0.518 30 20 DBED Cn1cnn(CC(=O)N[C@@]23CCC[C@@H]2N(CC#N)CC3)c1=O 991477954 ZDDYTEXYIBVPCM-SMDDNHRTSA-N 304.354 -0.781 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CCCNC2=O)C1 994011263 LAAKMLQWJIMICS-UPJWGTAASA-N 321.377 -0.569 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)COC 997770332 VNXOCWLXYKDWKQ-QPSCCSFWSA-N 319.405 -0.022 30 20 DBED CC#CCN1CCC[C@@H](NC(=O)C2CC3(C2)NC(=O)NC3=O)C1 1008845393 JMOVQAPVRNGNGZ-BWBHSNQOSA-N 318.377 -0.422 30 20 DBED CCn1nncc1C(=O)NCC1[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]12 1009041410 NZXOTEROFPAIDM-DLOVCJGASA-N 316.365 -0.108 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCCN(C(=O)Cn3cncn3)C2)C1 1010836165 KXLCZHDCIRTFQP-GFCCVEGCSA-N 316.365 -0.111 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](C)O[C@@]2(CCN(C(=O)C(N)=O)C2)C1 1017842939 MACYEROHXAZOAQ-MEDUHNTESA-N 323.393 -0.098 30 20 DBED C[C@H](C#N)C(=O)N1CCC2(CN(C(=O)Cn3cncn3)C2)C1 1019460915 YHOMWDKMGZUMLL-LLVKDONJSA-N 302.338 -0.501 30 20 DBED C[C@@H](C#N)C(=O)N1CCCO[C@H](CNC(=O)c2nc[nH]n2)C1 1019644867 MRRARBWIKCVGHP-VHSXEESVSA-N 306.326 -0.688 30 20 DBED C[C@H](C#N)C(=O)N1CCCO[C@@H](CNC(=O)c2cccnn2)C1 1019657832 YLGDXBXSMOPKCY-NEPJUHHUSA-N 317.349 -0.016 30 20 DBED C=CCN1[C@H]2CC[C@H]1CC(NC(=O)[C@H]1CCS(=O)(=O)N1)C2 1021462350 CICALSJVYYBQID-RWMBFGLXSA-N 313.423 -0.024 30 20 DBED O=C(C#CC1CC1)N1C[C@@H]2CCN(C(=O)Cn3ncnn3)[C@@H]2C1 1021745986 SCPYKAZLPUIAMC-QWHCGFSZSA-N 314.349 -0.854 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)C[C@H]3CCN(C)C3)C2)C1=O 1031260157 MLXBXUQEUQTXHD-UKRRQHHQSA-N 320.437 -0.085 30 20 DBED C=CCN1CC[C@H](N2CC(CNC(=O)c3csnn3)C2)C1=O 1031880430 MCOSPBSOECLRBQ-LBPRGKRZSA-N 321.406 -0.013 30 20 DBED CN(C(=O)C1CC2(C1)CS(=O)(=O)C2)[C@H]1CCN(CC#N)C1 1033197777 SDGCIQPVNVUFHV-LBPRGKRZSA-N 311.407 -0.133 30 20 DBED C=CCn1cc(C(=O)N(C)[C@H]2CCN(CC(=O)N(C)C)C2)nn1 1033484727 SWBUNUMMJRTZQS-LBPRGKRZSA-N 320.397 -0.301 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)CN2CCS(=O)(=O)CC2)C1 1033660217 OHJJFNCPPNWFTR-ZDUSSCGKSA-N 315.439 -0.565 30 20 DBED Cc1nc2n(n1)C[C@H](C(=O)NC[C@H]1CN(CC#N)CCO1)CC2 1035453972 HCZAFGWYPXZSJB-OLZOCXBDSA-N 318.381 -0.511 30 20 DBED C#CCN[C@@H]1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)C[C@H]1C 1036057568 NBLPJTQWTUPASX-CHWSQXEVSA-N 318.377 -0.993 30 20 DBED Cc1ccc(=O)n(CC(=O)N2CC[C@H](NCC#N)[C@H](C)C2)n1 1036264838 LNMLUSSYFQEFEE-YPMHNXCESA-N 303.366 -0.098 30 20 DBED CC#CCN1CC[C@@H]2CN(C(=O)CN3CCOCC3=O)CC[C@@H]21 1036738731 MMSBGQNVBVOWCR-CABCVRRESA-N 319.405 -0.209 30 20 DBED C=CCOCC(=O)N1CC[C@](O)(CNC(=O)[C@H](O)C(C)C)C1 1039627356 RFQKDMWEQVIWGX-HIFRSBDPSA-N 314.382 -0.715 30 20 DBED Cc1n[nH]cc1C(=O)N1CC[C@](O)(CNC(=O)C#CC2CC2)C1 1039685055 JCTHDKVZEFEFLX-INIZCTEOSA-N 316.361 -0.175 30 20 DBED Cc1ncc(C(=O)N2CC[C@@](O)(CNC(=O)[C@H](C)C#N)C2)[nH]1 1040760186 GCSJBXCIQSFDME-YMTOWFKASA-N 305.338 -0.429 30 20 DBED Cc1nccn1CC(=O)N1CC[C@@](O)(CNC(=O)[C@H](C)C#N)C1 1040765385 IFOBZUXYSMKFOP-IAQYHMDHSA-N 319.365 -0.569 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CN(c3nccnc3C#N)C[C@H]2O)[nH]1 1040965963 ZBXZGWZOVRBDIS-CHWSQXEVSA-N 323.316 -0.472 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)c3cnco3)C2)nn1 1041266808 DFRCLTQAVBAPHX-NXEZZACHSA-N 300.278 -0.684 30 20 DBED Cc1ccc(C(=O)NCC2(O)CN(C(=O)[C@@H](C)C#N)C2)n1C 1041454534 YFEBAISMUZUPJH-JTQLQIEISA-N 304.350 -0.204 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)Cn2cc(C)cn2)C1 1041776359 RNTIPGSHWLSMIT-UHFFFAOYSA-N 306.366 -0.153 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)c2ccnn2C)C1 1042803423 YUZKBNRFKQCPEQ-UHFFFAOYSA-N 304.350 -0.473 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)c2nn(CC)nc2C)C1 1043724163 QKKARILUBFJWNW-UHFFFAOYSA-N 321.381 -0.124 30 20 DBED N#Cc1nccc(N2C[C@H](O)[C@H](NC(=O)c3ccncc3)C2)n1 1043822253 BHDGJCFFKVGGMT-NEPJUHHUSA-N 310.317 -0.277 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)CN(C)CCC)C1 1044303057 SIQGBNRQAMJSBV-UHFFFAOYSA-N 313.398 -0.780 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H](C)CO2)C1 1044557804 PVYNZLPEFPHTAQ-STQMWFEESA-N 308.378 -0.096 30 20 DBED C#CCN1CCC(C(=O)N2CC[C@H](NCC(N)=O)C[C@@H]2C)CC1 1044871802 LXSQDNHDNITSSU-ZFWWWQNUSA-N 320.437 -0.214 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)c2ccc(OC)nn2)C1 1046519634 IADWKLJPBNJXBS-UHFFFAOYSA-N 320.349 -0.246 30 20 DBED C=CCCCC(=O)N(C)[C@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1O 1049360582 FCNMTUMPLCOCNB-RYUDHWBXSA-N 322.369 -0.941 30 20 DBED N#CCN1CCOC[C@H]1CNC(=O)[C@H]1CCn2cncc2C1 1050980310 QTPJRZUCPWTHJN-GXTWGEPZSA-N 303.366 -0.214 30 20 DBED CC#CCN1CCOC[C@@H]1CNC(=O)c1cn(C)ccc1=O 1051016143 IZQDFCXSZMNBAP-ZDUSSCGKSA-N 303.362 -0.161 30 20 DBED Cn1oc(C(=O)N2CC[C@@H](N3CCN(CC#N)CC3)C2)cc1=O 1052018026 AHRAQJNJTRPIQC-GFCCVEGCSA-N 319.365 -0.666 30 20 DBED C#CCN1CCN([C@@H]2CCN(C(=O)[C@H]3CCCC(=O)N3)C2)CC1 1052041071 RDBYWKABZCUMJL-HUUCEWRRSA-N 318.421 -0.493 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)Cc1n[nH]c(C)n1)CCO2 1053252369 SDUJGHZECJWPLF-UHFFFAOYSA-N 303.366 -0.408 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCOC2(CN(CCCO)C2)C1 1053437551 XGGKQCABPGDVJB-KGLIPLIRSA-N 310.394 -0.127 30 20 DBED C=CCOCC(=O)N1C[C@H]2CN(C(=O)[C@H]3COCCO3)C[C@H]2C1 1055184840 MEECJQFEFFRDCX-HZSPNIEDSA-N 324.377 -0.479 30 20 DBED C=CCOCC(=O)N[C@]1(CO)CCCN(C(=O)c2ccon2)C1 1055830731 BWQCLJRHJWRCCT-OAHLLOKOSA-N 323.349 -0.040 30 20 DBED N#Cc1cncc(N2CCN(C(=O)c3cncnc3O)CC2)n1 1055935835 HWIJQUNASVWYBY-UHFFFAOYSA-N 311.305 -0.194 30 20 DBED C=CCCC(=O)N1CCC[C@](CO)(NC(=O)[C@@H]2CCNC2=O)C1 1056037228 YRVNCMHEAJUPIU-WBMJQRKESA-N 323.393 -0.442 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@H]2CN(C(=O)C3CC3)C[C@H]21 1056645665 GCCLBGXIZFIXMA-UONOGXRCSA-N 317.389 -0.015 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)[C@H](CC)NC(C)=O 1057172476 FWFBGCRIBLAHKH-ZDUSSCGKSA-N 313.398 -0.196 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)CCCN(C)C 1057194942 UFENOEZTNJCCMQ-UHFFFAOYSA-N 315.414 -0.532 30 20 DBED C#CCNC(=O)CC(=O)N(CCO)CCNC(=O)CC1CCC1 1057390661 KEWORDVUANQQFR-UHFFFAOYSA-N 323.393 -0.747 30 20 DBED CC#CCCCC(=O)N(CCO)CCNC(=O)[C@@H]1CCNC1=O 1058444074 BGRRWDYLIMHINC-CYBMUJFWSA-N 323.393 -0.747 30 20 DBED CN1C[C@H](C(=O)N[C@H]2CCN(c3ccc(C#N)cn3)C2)NC1=O 1058504223 JVYCNQWSZGUVML-NWDGAFQWSA-N 314.349 -0.328 30 20 DBED N#Cc1nccnc1N1C[C@@H]2CC[C@H](C1)N2C(=O)CC(N)=O 1058739854 DBPCLEGCLQMKMD-AOOOYVTPSA-N 300.322 -0.597 30 20 DBED N#Cc1nc(=N[C@H]2CCN(C(=O)c3cnsn3)C2)cc[nH]1 1058842159 UDCSYCYIOMMNOE-QMMMGPOBSA-N 301.335 -0.052 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1C[C@H](NC(=O)[C@H]2COCCO2)C1 1059161351 INMXCLDSVNUVSJ-YRGRVCCFSA-N 302.334 -0.150 30 20 DBED C=CCOCC(=O)NC[C@@H]1COCCN1C(=O)c1cncn1C 1061426109 KTHWLHCNBAXKFU-GFCCVEGCSA-N 322.365 -0.420 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)c1cncnc1 1061846206 BVBICAWEQUAPHA-JQWIXIFHSA-N 303.322 -0.407 30 20 DBED C[C@H](C#N)C(=O)N1CCCC[C@@H]1CNC(=O)CCNC(N)=O 1062333830 DZAGSEKTIPWSAD-GHMZBOCLSA-N 309.370 -0.298 30 20 DBED C=CCCOCC(=O)NC1(CNC(=O)Cn2cnnn2)CCC1 1062499909 AXGVWMTUSTVNJA-UHFFFAOYSA-N 322.369 -0.579 30 20 DBED C=CCOCC(=O)NC1(CNC(=O)C2(NC(N)=O)CC2)CCC1 1062823397 KSLSVQSMUDPBPU-UHFFFAOYSA-N 324.381 -0.455 30 20 DBED N#CCSCC(=O)N1CCO[C@@H](CNC(=O)c2cnco2)C1 1064882671 HFSZPCLMXRGUER-JTQLQIEISA-N 324.362 -0.111 30 20 DBED C[C@]1(NC(=O)[C@H]2COCCO2)CCN(c2ccc(C#N)nn2)C1 1065210065 KCWPNVKLOVAWSN-DOMZBBRYSA-N 317.349 -0.151 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)[C@@H](C)CC(N)=O)CCO1 1065420863 OFCINWLJITVOBR-QWHCGFSZSA-N 323.393 -0.355 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CCCN(C(=O)CS(C)(=O)=O)CC1 1066476336 YQEWRCVGHRQPLU-MNOVXSKESA-N 315.395 -0.312 30 20 DBED N#Cc1cncc(N2C[C@@H](O)[C@@H](CNC(=O)c3cc[nH]n3)C2)n1 1067651020 FIFDVXFZDCXLGD-JOYOIKCWSA-N 313.321 -0.702 30 20 DBED N#Cc1cnccc1N1C[C@@H](O)[C@@H](CNC(=O)c2ccncn2)C1 1067676433 PQAFJQQEIBFEDJ-SWLSCSKDSA-N 324.344 -0.030 30 20 DBED C#CCOCCC(=O)N1CC2(C[C@H](NC(=O)C3CC3)CO2)C1 1068641685 GGJQCPLYAFKWCT-ZDUSSCGKSA-N 306.362 -0.078 30 20 DBED CC(=O)N(C)CC(=O)N1CC2(C[C@H](NC(=O)[C@@H](C)C#N)CO2)C1 1069002633 GWAYQCZZRGMUIZ-JQWIXIFHSA-N 322.365 -0.890 30 20 DBED C#CCN1CCn2ncc(CNC(=O)c3cnn(C)c3N)c2C1 1069858817 PKEXWDVWUPVNLL-UHFFFAOYSA-N 313.365 -0.422 30 20 DBED N#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 1069911803 USRZCTULWHBMLH-OLZOCXBDSA-N 310.321 -0.343 30 20 DBED C=CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H]2CCNC2=O)C1 1069997425 APEMLJUTBXWKTQ-XQQFMLRXSA-N 318.381 -0.668 30 20 DBED C#CCCN1CCNC(=O)CCN(C(=O)c2ncc[nH]2)CC1 1070960946 DEDGEOJZDVIYIF-UHFFFAOYSA-N 303.366 -0.303 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)CCN(C)C)C1 1071936708 SFOAJSXOKYGVHE-OLZOCXBDSA-N 322.409 -0.959 30 20 DBED CC(C)C#CC(=O)N[C@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1C 1072543078 GYQKYDYQBSINPS-MNOVXSKESA-N 304.354 -0.554 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CCN(C(=O)Cn2cnnn2)C[C@H]1C 1073933827 YKEIPHNVYQVCNB-CHWSQXEVSA-N 318.381 -0.314 30 20 DBED C#CCCN1C[C@@H]2CCN(C(=O)[C@@H]3CCS(=O)(=O)C3)[C@@H]2C1 1076008859 KUXPGAKNMFVGBG-BFHYXJOUSA-N 310.419 -0.023 30 20 DBED CNC(=O)NCC(=O)NCC[C@H](C)NC(=O)CSCC#N 1076901148 UDAOPKZPEUKBBP-VIFPVBQESA-N 315.399 -0.817 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)Cn2nnc(-c3ccco3)n2)C1 1077279619 QTANNLCNUOJCIY-GHMZBOCLSA-N 318.337 -0.720 30 20 DBED C=C(C)CCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cn(C)nn2)C1 1081453118 PYSBQXQVFXKSSM-WCQYABFASA-N 321.381 -0.280 30 20 DBED C=CCCC(=O)N1C[C@H](CNC(=O)c2cnnc(O)c2)[C@@H](O)C1 1081556069 JRUWAHRYDPDFRU-RYUDHWBXSA-N 320.349 -0.303 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)Cn1nnc2c1CCCC2 1082141529 SRSSQNJLEPNJRH-TZMCWYRMSA-N 318.381 -0.504 30 20 DBED C=CCOCC(=O)NC[C@@H]1CCCCN1C(=O)[C@H]1CNC(=O)N1 1082260104 KGQHZSYZBGEDAJ-NWDGAFQWSA-N 324.381 -0.632 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)Cn1ccccc1=O 1083270487 IWWBLPNCBFLSNN-QWHCGFSZSA-N 302.334 -0.717 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)c2cnc3[nH]c(O)nc3c2)C1 1083587144 FPFXOSQRXSYQOD-NEPJUHHUSA-N 315.333 -0.538 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)c2cn(C)nc2[C@@H]2CCOC2)C1 1083675045 JNFFCAIOTQGQSG-BNOWGMLFSA-N 320.393 -0.115 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCCN2C(C)=O)C1 1083972137 KCUUDRRVWWWBTD-AGIUHOORSA-N 315.801 -0.089 30 20 DBED C=CCN1CC[C@@H]1CN(C)C(=O)C1CC2(C1)NC(=O)NC2=O 1085868584 UGVOIHYCDLJIIG-LOIXOFCESA-N 306.366 -0.307 30 20 DBED C#CCCN1CC[C@H]1CN(C)C(=O)c1nccnc1C(N)=O 1085963661 NBGHKYJKCKVUCQ-NSHDSACASA-N 301.350 -0.255 30 20 DBED C#CCN1CC[C@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)[C@H]1CC 1087818147 DGZCPVJDIFBRSK-NWDGAFQWSA-N 320.393 -0.081 30 20 DBED CC#CCN1CC[C@H](NC(=O)Cc2cnn(C)c2C)[C@H](O)C1 1090315327 IFLOWPPMIXFUPG-LSDHHAIUSA-N 304.394 -0.154 30 20 DBED CC#CCN1CC[C@@H](NC(=O)Cc2cn(CC)nn2)[C@H](O)C1 1090441000 IGAJWXNBIRCIKI-ZIAGYGMSSA-N 305.382 -0.585 30 20 DBED C=CCN1CC[C@H](NC(=O)c2ccn3nnnc3c2)[C@H](O)C1 1090485021 FFYYBTGAJPBNNV-NWDGAFQWSA-N 302.338 -0.525 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2cc3ncccn3n2)[C@@H](O)C1 1090661030 XVPAPLQXNHMCDH-JSGCOSHPSA-N 313.361 -0.082 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2cccnc2N(C)C)[C@H](O)C1 1090805520 NRWXSNDIGXGHKT-ZIAGYGMSSA-N 302.378 -0.054 30 20 DBED CCCOCC(=O)N[C@H]1CCN(c2ccnc(C#N)n2)C[C@@H]1O 1092143354 SFAYTVICSPRNCO-RYUDHWBXSA-N 319.365 -0.169 30 20 DBED N#Cc1ccc(NC2CC(CNC(=O)CNC(N)=O)C2)nn1 1092186600 UXSQAXPNPZFEEA-UHFFFAOYSA-N 303.326 -0.677 30 20 DBED N#Cc1c[nH]ccc1=NC1CC(CNC(=O)Cn2cncn2)C1 1092219470 RJVKBOSPWGNYHS-UHFFFAOYSA-N 311.349 -0.026 30 20 DBED COCC(=O)NC[C@@]1(C)CN(c2cnc(C#N)cn2)CCO1 1092719352 NDEOUJFBHNATGG-AWEZNQCLSA-N 305.338 -0.294 30 20 DBED N#Cc1ccc(N2C[C@H]3C(NC(=O)CCNC(N)=O)[C@@H]3C2)nc1 1093266578 AZWNAHVHTMUPGC-GHMZBOCLSA-N 314.349 -0.438 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H]1[C@@H]2CN(c3cnc(C#N)cn3)C[C@@H]21 1093311375 QLCBFLRTKLKHFS-PBOSXPJTSA-N 311.345 -0.063 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCCN=c1cc[nH]c(C(=O)OC)n1 1094131811 BNSFIFFCDSJQGJ-MNOVXSKESA-N 320.349 -0.196 30 20 DBED CNC(=O)NCC(=O)NCCNc1cc(C#N)ccc1[N+](=O)[O-] 1094204763 ZHWHYPPGMKNTEG-UHFFFAOYSA-N 320.309 -0.076 30 20 DBED N#Cc1c[nH]ccc1=NCCCNC(=O)C[C@H]1CCNC1=O 1094617323 DJKNPISUWXRIQY-LLVKDONJSA-N 301.350 -0.180 30 20 DBED N#CCN1CCN(C(=O)[C@@H]2CC23CC3)[C@@H]2CS(=O)(=O)C[C@@H]21 1094663776 VZZASFOHJADQAP-SDDRHHMPSA-N 309.391 -0.380 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)C[C@H]3CCNC3=O)CC2=O)C1 1094743756 KOWZISDYNFTKGV-VXGBXAGGSA-N 320.393 -0.900 30 20 DBED N#Cc1cncc(N2CC[C@@H](NC(=O)CO[C@H]3CCOC3)C2)n1 1096439081 CAYGEBSYCZXOII-YPMHNXCESA-N 317.349 -0.151 30 20 DBED CCc1nc(C#N)cc(N[C@@H](C)CNC(=O)[C@H](C)NC(N)=O)n1 1097774962 WPAUTEMUDCIHDC-IUCAKERBSA-N 319.369 -0.116 30 20 DBED C[C@H](CNC(=O)[C@@H]1CCCS1(=O)=O)N=c1cc[nH]cc1C#N 1097882470 CYMYLJFSHXSCQS-MFKMUULPSA-N 322.390 -0.131 30 20 DBED CCN1CCOC[C@H]1C(=O)NC[C@@H](C)Nc1cncc(C#N)n1 1098129127 VYNULMCSUGOJIU-YPMHNXCESA-N 318.381 -0.014 30 20 DBED C[C@H](CCNC(=O)c1cc(=O)n(C)o1)N=c1cc[nH]c(C#N)n1 1099010852 LOYYHPJITQWHMT-SECBINFHSA-N 316.321 -0.318 30 20 DBED C[C@@H](CCNC(=O)C[C@@H](C)NC(N)=O)N=c1cc[nH]c(C#N)n1 1099545450 GAGHCURLDPRMFL-VHSXEESVSA-N 319.369 -0.476 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(Cc2nc(CC)no2)C[C@H]1O 1099738121 JADMTOXJVYGYCT-VXGBXAGGSA-N 324.381 -0.114 30 20 DBED Cn1cc(CCN2CC[C@@H](NC(=O)C#CC3CC3)[C@H](O)C2)cn1 1099827070 SXRQOOZUWHPWIR-HZPDHXFCSA-N 316.405 -0.073 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)c2ccsn2)[C@H](O)C1 1099887969 MZDTXLQLGOIESO-ZYHUDNBSSA-N 322.390 -0.943 30 20 DBED N#CCN1CC[C@H](NC(=O)CCCCN2CCOCC2)[C@@H](O)C1 1100035213 YSVDJOZHXUNBGE-GJZGRUSLSA-N 324.425 -0.436 30 20 DBED Cc1nsc(N(C)CCNC(=O)[C@H]2COC(=O)N2)c1C#N 1100049706 PYGGZIMXOARPAU-SECBINFHSA-N 309.351 -0.016 30 20 DBED C#CCCN1CC[C@H](NC(=O)C2(C(=O)NC)CCC2)[C@@H](O)C1 1100086320 ZOINKMPRZVHXNZ-STQMWFEESA-N 307.394 -0.523 30 20 DBED C#CCN1CC[C@@H](NC(=O)CCNC(=O)c2ccco2)[C@H](O)C1 1100101435 MFDAGIOIRSMMSF-CHWSQXEVSA-N 319.361 -0.416 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)Cc2ccc[nH]2)[C@@H](O)C1 1100113599 COXAEOAIIUEGOI-KGLIPLIRSA-N 320.393 -0.589 30 20 DBED C#CCOCCC(=O)NCC1CC(NCCn2cncn2)C1 1100322508 KRWPTUIWAVJHPH-UHFFFAOYSA-N 305.382 -0.198 30 20 DBED CCN(CCNC(=O)C(=O)NCC1CC1)c1ccnc(C#N)n1 1100595588 BKCZWGRABIBDIA-UHFFFAOYSA-N 316.365 -0.183 30 20 DBED CC#CCNC1CC(CNC(=O)CN2C(=O)NC(=O)C2(C)C)C1 1100827499 IASLJAJDUAVYOB-UHFFFAOYSA-N 320.393 -0.176 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)Cc2[nH]cnc2C)C1 1100918289 MYCAETVHSNVTRS-UHFFFAOYSA-N 317.393 -0.506 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CN(C(=O)COCC)C[C@]2(C)C1 1101115118 RFSHSHHZSWHEGV-CJNGLKHVSA-N 307.394 -0.447 30 20 DBED C[C@H](C(=O)N(C)CCNc1cnc(C#N)cn1)S(C)(=O)=O 1102032712 WBHRWQCTZGUDOA-SECBINFHSA-N 311.367 -0.348 30 20 DBED CN(C[C@@H]1CCN(C(=O)CNC(N)=O)C1)c1cncc(C#N)n1 1102427723 GMHJVDNVUJWYJE-JTQLQIEISA-N 317.353 -0.699 30 20 DBED C#CCNC(=O)CC(=O)N(C)[C@@H](C)CNc1nccnc1C#N 1104531907 ZTHFKZCTFIBWLW-NSHDSACASA-N 314.349 -0.253 30 20 DBED CN(CCN(C)c1nccnc1C#N)C(=O)C[C@@H]1CCNC1=O 1105483356 KWVIROVGMZTNCK-NSHDSACASA-N 316.365 -0.231 30 20 DBED C#CCNC(=O)CN1CC(OC2CCN(C(=O)CC)CC2)C1 1105680260 ZOTLADLIBNGLEY-UHFFFAOYSA-N 307.394 -0.162 30 20 DBED CCOCCC(=O)NC[C@@H](O)CN=c1cc(C)[nH]cc1C#N 1105743853 GPKCFBUJMBYNGM-ZDUSSCGKSA-N 306.366 -0.001 30 20 DBED Cc1nonc1C(=O)NC[C@H](O)CNc1ccc(C#N)nn1 1105884679 ODULEQPMEGSBOI-SECBINFHSA-N 303.282 -0.758 30 20 DBED N#Cc1cncc(NC[C@H](O)CNC(=O)[C@]2(F)CCOC2)n1 1106072476 IPGNIDTUMRNVEH-GWCFXTLKSA-N 309.301 -0.634 30 20 DBED N#Cc1nc(=NC[C@@H](O)CNC(=O)c2ccc(Cl)[nH]2)cc[nH]1 1106087884 WCOJWYIYTLUKLE-MRVPVSSYSA-N 320.740 -0.046 30 20 DBED C#CCCN1CC(n2cc(CNC(=O)Cn3nccn3)nn2)C1 1107175291 HVFWXIDXBDRPBX-UHFFFAOYSA-N 314.353 -0.934 30 20 DBED C[C@@H](C(N)=O)N1CCO[C@](C)(CNC(=O)c2cc(C#N)c[nH]2)C1 1107850535 LPQICPYNVSDGPL-ZUZCIYMTSA-N 319.365 -0.419 30 20 DBED C#Cc1ccc(C(=O)NC[C@@]2(C)CN(CC(N)=O)CCO2)cc1 1108113319 JLJIUXYBBAKQJA-KRWDZBQOSA-N 315.373 -0.026 30 20 DBED C[C@@H]1C[C@H]1C(=O)NC[C@]1(C)CN(CC(=O)NCC#N)CCO1 1108125251 BJQNKOIKMKYMBT-LALPHHSUSA-N 308.382 -0.511 30 20 DBED C[C@H](CNc1cnc(C#N)cn1)NC(=O)[C@@H](C)S(C)(=O)=O 1108195010 KAOSYCPGPINZMK-RKDXNWHRSA-N 311.367 -0.302 30 20 DBED C#CCCN1CCO[C@](C)(CNC(=O)[C@]2(C)CCNC2=O)C1 1108210581 BDNBQPBNOZAKFU-HZPDHXFCSA-N 307.394 -0.257 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)Cn2nc(C)ccc2=O)C1 1108355211 XEOOBXBIQWJVNK-MRXNPFEDSA-N 318.377 -0.608 30 20 DBED COCCN1CC(N2C[C@@H](NC(=O)C#CC3CC3)CC2=O)C1 1108545027 MQFDHYOVFRPGEE-ZDUSSCGKSA-N 305.378 -0.553 30 20 DBED C[C@H](CN(C)c1ccncc1C#N)NC(=O)CS(C)(=O)=O 1108837655 ZNIKUZUCZBUXCH-SNVBAGLBSA-N 310.379 -0.061 30 20 DBED CC(C)OCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1109026754 HRVZJYIBRDBDQI-AGIUHOORSA-N 308.382 -0.227 30 20 DBED CC(C)C#CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NC(N)=O 1109246160 QQGWERASHZSLQH-WOPDTQHZSA-N 306.366 -0.438 30 20 DBED CNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C#CC1CC1 1109255883 ZSEJZSWCAAEOQP-AGIUHOORSA-N 318.377 -0.423 30 20 DBED CN(CCCN=c1cc[nH]c(C#N)n1)C(=O)c1cnn(C)c1N 1109436940 QBONNAJDNNCBDI-UHFFFAOYSA-N 314.353 -0.340 30 20 DBED N#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCc1nnc(O)nc1O 1109482287 WPCRXWYHIMJMHR-MIMYLULJSA-N 318.337 -0.540 30 20 DBED N#Cc1nccnc1NC[C@H](NC(=O)Cn1cnnn1)C1CC1 1109775095 AGBXSHHGYLGSGH-NSHDSACASA-N 313.325 -0.658 30 20 DBED N#Cc1nc(=NC[C@H](NC(=O)[C@H]2CCNC2=O)C2CC2)cc[nH]1 1109946607 WTIFIWZBYDCGLA-QWRGUYRKSA-N 314.349 -0.787 30 20 DBED N#Cc1cnc(NC[C@H](NC(=O)[C@H]2CNC(=O)N2)C2CC2)cn1 1109963336 BKRCHITTYORESC-WDEREUQCSA-N 315.337 -0.664 30 20 DBED CC(=O)N[C@H](C)C(=O)N[C@]1(C)CCN(c2ccnc(C#N)n2)C1 1110717474 XFCFMBYQASLUPO-MEBBXXQBSA-N 316.365 -0.042 30 20 DBED N#Cc1cncc(N2C[C@H]3C[C@H](NC(=O)CC(N)=O)C[C@H]2C3)n1 1111154290 XMOGCYIZYXPHGY-JBLDHEPKSA-N 314.349 -0.303 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCC(=O)N1CCOCC1 1111362031 KBVIPGQYCZZGPQ-KFWWJZLASA-N 319.405 -0.020 30 20 DBED N#Cc1nc(=NCCN(CCO)C(=O)C[C@@H]2CCOC2)cc[nH]1 1111443096 XKHIJPDUGUJTCA-LBPRGKRZSA-N 319.365 -0.570 30 20 DBED Cn1cnc(C(=O)N(CCO)CCNc2cnc(C#N)cn2)n1 1111460695 IEIOMWXFBZOEOE-UHFFFAOYSA-N 316.325 -0.977 30 20 DBED CN1CC[C@@H](C(=O)N(CCO)CCNc2cnc(C#N)cn2)C1 1111475560 UXDQSUUWUIVLSI-GFCCVEGCSA-N 318.381 -0.467 30 20 DBED C[C@H]1C[C@@H](NC(=O)CC(N)=O)CCN1c1cnc(C#N)cn1 1112459273 GZLRLDWOFBBCHE-UWVGGRQHSA-N 302.338 -0.303 30 20 DBED CN(C)CCC(=O)NC[C@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1112755617 PVYDMMBZSVTBHH-AAEUAGOBSA-N 318.381 -0.787 30 20 DBED CCc1nc(C(=O)N2CCN(CC(=O)NCC#N)CC2)co1 1112785471 APKHBUITTIWHPV-UHFFFAOYSA-N 305.338 -0.365 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)c2ccc(C)nn2)CC1 1112832060 DOHDFCOLVXSZEQ-UHFFFAOYSA-N 303.366 -0.155 30 20 DBED C[C@@H](CC(N)=O)C(=O)NC1CC(CN=c2cc[nH]c(C#N)n2)C1 1112865755 YPNKYPLJKHONII-WHXUTIOJSA-N 316.365 -0.412 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)[C@H](C)N=c1cc[nH]c(C#N)n1 1112979093 RNBKQRMMAUNKAP-QWRGUYRKSA-N 314.349 -0.785 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)CCc2cnn[nH]2)CC1 1113357745 RPIPWBUAEHWPLK-GFCCVEGCSA-N 320.397 -0.428 30 20 DBED CNC(=O)CC(=O)N(C)CC(C)(C)CN=c1cc[nH]c(C#N)n1 1113416889 AQHUUBJMBBLSLL-UHFFFAOYSA-N 318.381 -0.197 30 20 DBED CNC(=O)C1(C(=O)NC[C@@H](C)N(C)c2cncc(C#N)n2)CC1 1113660808 SCNZGGSJFWBHAQ-SNVBAGLBSA-N 316.365 -0.185 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@H](C)n3cccn3)[C@H]2C1 1113894122 RGVOQXZVJRGYNB-RMRHIDDWSA-N 317.393 -0.207 30 20 DBED CC(=O)NCC(=O)N[C@H]1CN(c2nccnc2C#N)CC[C@H]1C 1113995055 WQSIAYQSJQZQDT-MFKMUULPSA-N 316.365 -0.185 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)COCCC)[C@H]2C1 1113996105 OINFWSVSSQCFCP-RMRHIDDWSA-N 307.394 -0.403 30 20 DBED C[C@H]1CCN(c2nccnc2C#N)C[C@H]1NC(=O)CNC(N)=O 1113996851 BBAYMCROKZLMLJ-GXSJLCMTSA-N 317.353 -0.652 30 20 DBED C=CCOCCCC(=O)NC1[C@@H]2CN(Cc3nnnn3C)C[C@@H]12 1114109340 UAPSDDQLAJXTBN-VXGBXAGGSA-N 320.397 -0.261 30 20 DBED CCNC(=O)CN1C[C@@H]2C(NC(=O)c3ccc(C#N)[nH]3)[C@H]2C1 1114143438 OKBPWHJIXAGJOU-QWRGUYRKSA-N 301.350 -0.318 30 20 DBED Cc1cc(C(=O)NC2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]23)ncn1 1114143983 XZPSIVDFFMPVKV-GHMZBOCLSA-N 314.349 -0.915 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)C3=CCOCC3)[C@@H]2C1 1114165190 DABMSGDKIPTFGV-IACUBPJLSA-N 317.389 -0.483 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)c3nccc(C)n3)[C@@H]2C1 1114189922 YGPFCPONLGUHHY-VXGBXAGGSA-N 315.377 -0.253 30 20 DBED C#CCOCCC(=O)NC1[C@@H]2CN([C@H](C)c3nnnn3C)C[C@@H]12 1114268228 IDACWYPGCFAEDN-IJLUTSLNSA-N 318.381 -0.643 30 20 DBED C=CC(C)(C)C(=O)N[C@H]1[C@@H]2CN([C@@H](C)C(=O)NC(N)=O)C[C@@H]21 1114692226 CTWMRJBTXAPTEM-UKKRHICBSA-N 308.382 -0.172 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)c3cc(C(N)=O)c[nH]3)[C@@H]2C1 1115018447 SHNRGZVGUNZHNB-VXGBXAGGSA-N 316.361 -0.577 30 20 DBED N#Cc1c[nH]ccc1=NCCCOCCNC(=O)c1cnn[nH]1 1115456854 LFVKFQRTWQMJKD-UHFFFAOYSA-N 315.337 -0.258 30 20 DBED Cc1nnc(CC(=O)N(C)C[C@@H](C)N=c2cc[nH]c(C#N)n2)o1 1115704200 HAJKGBZAFKIIMM-SECBINFHSA-N 315.337 -0.037 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2cnns2)C1=O 1116908629 RRJJPGMHUROALQ-QMMMGPOBSA-N 309.351 -0.278 30 20 DBED C[C@@H](CS(C)(=O)=O)C(=O)OCC(=O)NC1(C#N)CCC1 1117285725 CBQMHRXLJXDDFL-VIFPVBQESA-N 302.352 -0.227 30 20 DBED C[C@H](CS(C)(=O)=O)N(C)C(=O)C(=O)N[C@@H]1CC[C@H](C#N)C1 1118179678 CADPXHRHWVUQOG-OUAUKWLOSA-N 315.395 -0.314 30 20 DBED C#CC[C@H](CO)NC(=O)NC1CCN(S(C)(=O)=O)CC1 1119669237 HEVOITXVABAQQI-LLVKDONJSA-N 303.384 -0.906 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)c1ccccn1 1122590466 OIEZTPFIWPUDDD-LLVKDONJSA-N 319.365 -0.199 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)nn1 1122637918 ZAYZNYOPCAILKD-LPWJVIDDSA-N 317.349 -0.195 30 20 DBED C[C@H]1C[C@H](Nc2cncc(C#N)n2)CN1C(=O)CNC(N)=O 1123148552 YHEGNDUIWRKWFG-IUCAKERBSA-N 303.326 -0.582 30 20 DBED C=C(C)CN(CC)C(=O)CNCCNC(=O)CN1CCCC1=O 1123341298 CXSGIJUWKWWNME-UHFFFAOYSA-N 324.425 -0.261 30 20 DBED C[C@H]1[C@@H](NC(=O)CC(N)=O)CCCN1c1cnc(C#N)cn1 1123522691 LYCIDFXTUGZNCX-ONGXEEELSA-N 302.338 -0.303 30 20 DBED CNS(=O)(=O)CCC(=O)NCCNCc1cccc(C#N)c1 1127088165 QMTCETREYNHCHH-UHFFFAOYSA-N 324.406 -0.297 30 20 DBED C=CCOCC(=O)N[C@@H]1CN([C@@H](C)COC)C[C@@H]1n1ccnn1 1128812374 XRIGYQYAXPNJQH-MJBXVCDLSA-N 323.397 -0.143 30 20 DBED C=CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)CC(=O)N(C)C)C1 1129312456 DTSHTRVRACLBEK-OLZOCXBDSA-N 320.397 -0.326 30 20 DBED C=C(Br)CNCCNC(=O)CN1CCOCC1=O 1129547010 VBRIOJIFBBBSMW-UHFFFAOYSA-N 320.187 -0.540 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cnn(C)c1CCC 1130777930 WYOLNNSDXMQFNZ-UHFFFAOYSA-N 305.382 -0.559 30 20 DBED COCC(C)(C)C(=O)N1CCC(=O)NCCN(CC#N)CC1 1131372096 ZJAWDWDVVMTVCL-UHFFFAOYSA-N 310.398 -0.167 30 20 DBED C=C[C@H](C)[C@H](C)C(=O)N1CCC(=O)NCCN(CC(N)=O)CC1 1131378966 NVQBKOPIAGNPFR-STQMWFEESA-N 324.425 -0.420 30 20 DBED COCC#CCN1C[C@@H](NC(=O)Cn2cncn2)CC[C@H]1C 1132464331 QZWXGMDXZFJHRF-KGLIPLIRSA-N 305.382 -0.103 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)CCn1cncn1)NCC(=O)NCC#N 1133759318 ROKCJUGWDGEDKQ-NWDGAFQWSA-N 321.385 -0.819 30 20 DBED C[C@@H](NS(C)(=O)=O)C(=O)NCCNCc1cccc(C#N)c1 1134354048 ZMAGZHCQTKXBQD-LLVKDONJSA-N 324.406 -0.298 30 20 DBED COCC#CCN1CCC2(C1)CN(C(=O)[C@@]1(C)CCNC1=O)C2 1148278198 UJFBQGXRHQYLQV-INIZCTEOSA-N 319.405 -0.303 30 20 DBED COCC#CCN1CCCO[C@@H](CNC(=O)c2cn(C)cn2)C1 1149522341 VGYUXPDDNQULJH-AWEZNQCLSA-N 320.393 -0.109 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)c1cnc(C)cn1 1154304867 VHWKUBPVTBVNTD-GFCCVEGCSA-N 303.366 -0.368 30 20 DBED CN(CC#N)C[C@H]1CCCCN1C(=O)[C@@H]1CC(=O)NC(=O)N1 1158529673 OMDQFWXWRSDVLJ-MNOVXSKESA-N 307.354 -0.579 30 20 DBED C#CCC1(C(=O)NCCCNCc2nc(O)n[nH]2)CCOCC1 1159644671 SHQAMAOXONSYOO-UHFFFAOYSA-N 321.381 -0.074 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)[C@H]2CCCC(=O)N2)C1=O 1160571446 SBUQVTNPWHHTIL-CHWSQXEVSA-N 322.409 -0.462 30 20 DBED C#CCCNCCCNC(=O)Cn1[nH]cc2c(=O)ncnc1-2 1168652923 FTFUFBILKBWAOF-UHFFFAOYSA-N 302.338 -0.810 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)CCCCC(N)=O)C[C@@H]21 1177130592 DGRMPVAETPOYHI-KBPBESRZSA-N 307.394 -0.033 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)[C@@H](C)n2cncn2)[C@H]1C 1178513046 XYBKTDBOPPRLOU-XQQFMLRXSA-N 320.397 -0.280 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CCN(C)C2)[C@H]1C 1180124750 QIXUOGYZSPDSED-IHRRRGAJSA-N 308.426 -0.181 30 20 DBED N#Cc1ccccc1CN[C@@H]1CCN(C(=O)CNC(N)=O)C1 1180907029 PEYDWRVFLQQMFB-CYBMUJFWSA-N 301.350 -0.083 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)CCc2cnc[nH]2)C1 1183127012 ZABHGJZBYBRCRW-GXTWGEPZSA-N 317.393 -0.329 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)Cn2cncn2)C1 1187656093 KKSGHAYUBGCBTA-NWDGAFQWSA-N 306.370 -0.841 30 20 DBED COCC#CCN1C[C@@H]2CCN(C(=O)C[C@@H](C)NC(N)=O)[C@@H]2C1 1187912287 VOTBTWMAECOSOH-HZSPNIEDSA-N 322.409 -0.384 30 20 DBED COCC#CCN1C[C@@H]2CCN(C(=O)[C@@H](C)CC(N)=O)[C@@H]2C1 1188801137 IYFROYJBGWJHCH-MELADBBJSA-N 307.394 -0.320 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2cnnn2CC)C1 1189985334 ZLLAGXFHAGCRCX-GFCCVEGCSA-N 318.381 -0.806 30 20 DBED CC1(C)C(C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@H]2O)C1(C)C 1192037219 HKWBAHZVZQRUIC-GHMZBOCLSA-N 322.409 -0.530 30 20 DBED C/C=C(/C)C(=O)N[C@@H]1CN(CC(=O)N(CC)CCC#N)C[C@H]1O 1192119844 PGMRZLRBFQTJHN-RHHBVARJSA-N 322.409 -0.124 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(CC2CCOCC2)C[C@H]1O 1192539361 GNNPIJDVMAJPDS-IIAWOOMASA-N 312.410 -0.099 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)[C@@H]2COCCO2)CC1 1194882576 DFKRHHMDMNJASL-ZDUSSCGKSA-N 311.382 -0.762 30 20 DBED C#CCCN1CCCN(C(=O)[C@@H](CCC(N)=O)NC(C)=O)CC1 1197461154 NLMMGYTYBRTCSJ-CQSZACIVSA-N 322.409 -0.686 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)c2ncccn2)CC1 1197518879 AUTPLOOMXPFPEW-UHFFFAOYSA-N 301.350 -0.626 30 20 DBED C#CCNC(=O)CNC[C@H]1CN(C(=O)C(C)(F)F)CCCO1 1199683034 LBVQOQPJCKVXGK-NSHDSACASA-N 317.336 -0.402 30 20 DBED C#CCNC[C@@H]1CN(C(=O)c2cnc(OC)nc2)CCCO1 1201775138 SOPMVJDCVJCHFE-CYBMUJFWSA-N 304.350 -0.061 30 20 DBED COCCC(=O)N[C@@H]1C[C@@H](NCC(=O)NCC#N)C12CCC2 1202271095 UJZKGEQJOFDROA-VXGBXAGGSA-N 308.382 -0.320 30 20 DBED COCC#CCN[C@@H]1CCCN(C(=O)c2nnn(C)c2C)C1 1207731305 HSMDJRIDMJBYRO-CYBMUJFWSA-N 305.382 -0.032 30 20 DBED C=CCOCCN[C@@H]1CCCN(C(=O)CN2CC(=O)NC2=O)C1 1210183141 MHXYCOSKUBIPMD-GFCCVEGCSA-N 324.381 -0.679 30 20 DBED C#CCCN1C[C@@H](NC(=O)CC[C@@H]2NC(=O)NC2=O)[C@H](C)C1 1210884734 ZKRGFBBNSJFTSF-GRYCIOLGSA-N 306.366 -0.566 30 20 DBED CO[C@@H]1CN(Cc2ccnn2C)C[C@H]1NC(=O)CSCC#N 1211889025 ZSETXHHQHAKNPY-CHWSQXEVSA-N 323.422 -0.008 30 20 DBED CCn1cc(CN2C[C@@H](NC(=O)[C@H](C)C#N)[C@H](OC)C2)nn1 1212045709 VMLFLXUABWRNNH-RAIGVLPGSA-N 306.370 -0.227 30 20 DBED C#CCCN1C[C@@H](NC(=O)CN(C)C(=O)C(C)C)[C@H](OC)C1 1212357559 LOFONLMNDADMLV-ZIAGYGMSSA-N 309.410 -0.061 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)CO[C@@H]2CCOC2)C1 1219618280 BLTQFMXHIQRBFW-UTUOFQBUSA-N 304.774 -0.294 30 20 DBED C=CC(C)(C)CC(=O)N[C@@H]1CN(C[C@H](O)COC)C[C@@H]1O 1219706666 JQBUSLTYVZLMOM-XQQFMLRXSA-N 300.399 -0.243 30 20 DBED C=CCCCN1C[C@H](O)[C@H](NC(=O)CCn2ncn(C)c2=O)C1 1220066660 QODHJLZZAABWBM-OLZOCXBDSA-N 323.397 -0.901 30 20 DBED N#CCNC(=O)CN1CCC(CNC(=O)c2ccnnc2)CC1 1224644170 PNHAJJBFNTWGOY-UHFFFAOYSA-N 316.365 -0.442 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC(NC(=O)CNC(=O)OC)CC1 1226291531 KGNUNQDGRWBBKT-LLVKDONJSA-N 324.381 -0.939 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCC(NC(=O)CNC(=O)CC)CC1 1226626304 XZIKYVGTTHHZGP-GFCCVEGCSA-N 324.425 -0.216 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)C[C@H]2CCOC2)CC1 1226689043 AAZGPTIIXSMFOQ-CYBMUJFWSA-N 307.394 -0.257 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)Cn2nccn2)CC1 1227547485 YQNDHPYHUCAIRA-UHFFFAOYSA-N 306.370 -0.839 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)C[C@@](C)(O)C=C 1233979080 YEIUGQUANYRYEF-BBRMVZONSA-N 307.394 -0.404 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C[C@@H]1CCN1CC(=O)NC(=O)NC 1234264418 AOAXEHHVKFAIDU-RYUDHWBXSA-N 324.381 -0.987 30 20 DBED C=C[C@H](COC)NC(=O)N1CCC(CS(N)(=O)=O)CC1 1256594094 CPAJIWILZIVULF-LLVKDONJSA-N 305.400 -0.103 30 20 DBED C[C@@H]1c2nncn2CCN1C(=O)C(=O)N1CC[C@](O)(CC#N)C1 1261487059 MQMAHPDJDICFFG-QMTHXVAHSA-N 318.337 -0.942 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)[C@@]2(C)CCNC(=O)C2)C1 1316983649 ZZUAMVPWVZQKKH-WBMJQRKESA-N 322.409 -0.605 30 20 DBED CCn1cc([C@@H]2C[S@](=O)CCN2CC(=O)NCC#N)cn1 1320719170 RAIACKWUCJSVBF-LAJNKCICSA-N 309.395 -0.352 30 20 DBED C#C[C@H](C)N(C)C(=O)C(=O)Nc1ccc(S(C)(=O)=O)nc1 1321008948 NMPUMQTYKXRFIF-VIFPVBQESA-N 309.347 -0.096 30 20 DBED C#CCC[C@H](O)CNC(=O)C(=O)Nc1cccc(C(=O)NC)c1 1321177872 DGQHQUKGGDYHTF-ZDUSSCGKSA-N 317.345 -0.125 30 20 DBED CCCCn1nccc1NC(=O)C(=O)NCC(=O)NCC#N 1323809349 OBLZSOYICWGTPL-UHFFFAOYSA-N 306.326 -0.622 30 20 DBED N#Cc1ncn(CCNC(=O)C(=O)Nc2sccc2C#N)n1 1324245194 MZSZNFMQTVNNDD-UHFFFAOYSA-N 315.318 -0.162 30 20 DBED CN(C)[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CC[C@](O)(CC#N)C2)C1 1326128638 QPHAWVNLYPUHGP-XJKCOSOUSA-N 322.409 -0.148 30 20 DBED C#CCSCCNC(=O)C(=O)N[C@H]1CCc2c[nH]nc2C1 1326850918 PGGFXBBKUFVWTJ-NSHDSACASA-N 306.391 -0.134 30 20 DBED N#CCCC[C@@H](N)C(=O)N[C@H]1CCN(CCN2CCOCC2)C1 1327181589 SMMHXCRCDGLNOY-LSDHHAIUSA-N 323.441 -0.470 30 20 DBED N#Cc1ccc(CCNC(=O)C(=O)NC[C@@H]2COCCN2)cc1 1331753972 MSJKNHIHIAYIHW-CQSZACIVSA-N 316.361 -0.678 30 20 DBED C#CCO[C@H](C)C(=O)NS(=O)(=O)C1CCN(C(C)=O)CC1 1333525242 WWWZSUOTXGYHHH-SNVBAGLBSA-N 316.379 -0.518 30 20 DBED CCN1CC[C@H](NC(=O)C(=O)Nc2ccc(C#N)cn2)C1=O 1335852330 LLVDDVWLCNXDRB-JTQLQIEISA-N 301.306 -0.371 30 20 DBED COC1([C@@H](C)NC(=O)C(=O)N2CC[C@](O)(CC#N)C2)CCC1 1345891562 AMTITZSTVXCCAA-BXUZGUMPSA-N 309.366 -0.063 30 20 DBED C=CCN1CCC(NC(=O)C(=O)NCC[S@@](C)=O)CC1 1346143876 SEGCSRLOCXAFKM-HXUWFJFHSA-N 301.412 -0.752 30 20 DBED C=CCOC[C@@H](NC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21)C(=O)OC 1347059135 CKSSPSCFPFBOGD-WUHRBBMRSA-N 313.350 -0.102 30 20 DBED C#CCSCCNC(=O)C(=O)N1CCC2(CCNC2=O)CC1 1352519443 AVDXTKZVKHZHQS-UHFFFAOYSA-N 323.418 -0.402 30 20 DBED C=C(Br)CNC(=O)NC[C@@H](O)Cn1ccnn1 1364518512 ICAWRHGPSJFHSO-MRVPVSSYSA-N 304.148 -0.153 30 20 DBED N#Cc1cn(CCNC(=O)NCc2ccco2)c(=O)nc1O 1367337016 NMTOCXXZUPFNRZ-UHFFFAOYSA-N 303.278 -0.087 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1occ2c1CCOC2 1376652248 BRZHVJKRPKPVSZ-KOLCDFICSA-N 321.333 -0.281 30 20 DBED COC[C@@H](O)CN1C[C@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2C1 1380699781 BIWJOGOAXOOYBB-MJBXVCDLSA-N 318.377 -0.103 30 20 DBED C[C@@H](C#N)C(=O)N(C)C1CCN([C@H](C)C(=O)NC(N)=O)CC1 1389326949 DEEBJZBXZXGWDL-VHSXEESVSA-N 309.370 -0.348 30 20 DBED CC[C@H](CNC(=O)Cn1nc(C)n(C)c1=O)NC(=O)[C@@H](C)C#N 1390602566 RCXCKFSKAWZENQ-GXSJLCMTSA-N 322.369 -0.939 30 20 DBED C=C(Br)CNC[C@@H](O)CNC(=O)[C@H](C)CC(N)=O 1406246554 AXCUGCNFPSPOIB-VXNVDRBHSA-N 322.203 -0.527 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)c2ccc3nn[nH]c3n2)CC1 1410746412 COLVQJVMNQGXNO-QMMMGPOBSA-N 313.321 -0.109 30 20 DBED C[C@H](CNC(=O)[C@@H]1CCC(=O)NC1)NC(=O)c1cc(C#N)c[nH]1 1415206982 YTBDGQKSGWYWQB-MWLCHTKSSA-N 317.349 -0.353 30 20 DBED CCCN(CCNC(=O)[C@@H](C)C#N)C(=O)c1c[nH]c(=O)cn1 1415820868 IRHUPDMZPNYBFC-JTQLQIEISA-N 305.338 -0.102 30 20 DBED Cn1cnc(C(=O)NC[C@@H](O)CNCc2ccc(C#N)s2)n1 1422306888 LSFUUMKIYOGUHG-VIFPVBQESA-N 320.378 -0.371 30 20 DBED CCN1CCO[C@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@H](C)C#N)C2)C1 1430148143 BGNRXHPRSADZOQ-LPWJVIDDSA-N 308.382 -0.370 30 20 DBED CO[C@@H](C)CC(=O)NC[C@H](O)CNC(=O)c1cc(C#N)c[nH]1 1431488649 FGUJJAXTXFKFDH-ONGXEEELSA-N 308.338 -0.482 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H](CNC(=O)C2(NC(N)=O)CC2)C1 1447600313 UVFUNTHNIFSZFC-MNOVXSKESA-N 321.381 -0.298 30 20 DBED CCCN(CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)C(=O)[C@@H](C)C#N 1449777193 SHOJWTSNAIEBQA-SDDRHHMPSA-N 324.381 -0.466 30 20 DBED C[C@H](C#N)C(=O)NC1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1450494579 KPDOUEMJKVCCNM-RSLMWUCJSA-N 307.350 -0.475 30 20 DBED C[C@H](Cn1ccnc1)NC(=O)Cn1cc(C#N)c(O)nc1=O 1464157489 KDQIAROYTYUJAA-SECBINFHSA-N 302.294 -0.778 30 20 DBED CC(C)(C#N)CS(=O)(=O)N1CC[C@@H](CS(N)(=O)=O)C1 1464701789 YAVWONHEITVUQQ-SECBINFHSA-N 309.413 -0.524 30 20 DBED N#Cc1cn(CCC(=O)N2[C@H]3CC[C@H]2CC(=O)C3)c(=O)nc1O 1467370944 YJXRRVDQUQQGJU-QWRGUYRKSA-N 316.317 -0.067 30 20 DBED C[C@@H](CN(C)C(=O)Cn1ccccc1=O)NC(=O)[C@H](C)C#N 1487775322 UYSJQLFUWGPPRD-NEPJUHHUSA-N 304.350 -0.029 30 20 DBED CCOC1CC(O)(CNc2cnc(-c3nn[nH]n3)c(C#N)n2)C1 1570918085 KSBNODPOOORIIT-UHFFFAOYSA-N 316.325 -0.130 30 20 DBED CC(C)(C#N)CS(=O)(=O)N[C@@H]1CN(C(=O)O)C[C@@H]1CO 1573408175 UXQJDMPGDWNDHX-RKDXNWHRSA-N 305.356 -0.574 30 20 DBED C[C@H](CN(C)c1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@H](C)C#N 1574801550 MJFPZRNHTQUWOH-RKDXNWHRSA-N 315.341 -0.243 30 20 DBED C=CCCC[C@H](N)C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)OC 1574902612 DEMBFRQGTQMQHH-WDEREUQCSA-N 318.395 -0.531 30 20 DBED CCO[C@@H]1CN(S(=O)(=O)N(CC)CCC#N)C[C@H]1CN 1578157386 BCUINPOVAAJPCW-VXGBXAGGSA-N 304.416 -0.238 30 20 DBED COC(=O)C1(Cn2cnc(C#N)c2-c2nn[nH]n2)CCOCC1 1579438708 NOMQLQCFGRJIBO-UHFFFAOYSA-N 317.309 -0.095 30 20 DBED N#CCNC[C@H](NC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C1CC1 1581857996 NHEIHMDXZHCDRO-NSHDSACASA-N 300.326 -0.184 30 20 DBED C#CCN1CCC[C@H](NC(=O)N2C[C@@H](C(=O)O)O[C@H](C)C2)C1 1588476668 PRMDFGPIJWBXBF-AGIUHOORSA-N 309.366 -0.033 30 20 DBED O=C(N[C@H]1CCN(O)C1=O)c1cc(-c2nn[nH]n2)ccc1F 1592988998 SEVYEBKGJYLHMB-VIFPVBQESA-N 306.257 -0.274 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CC[C@](O)(C(=O)O)C1 1596231512 OWEZOWMBHIAFCO-GXSJLCMTSA-N 305.356 -0.766 30 20 DBED C#CC[C@@H](NC(=O)[C@H](C)S(=O)(=O)C1CCOCC1)C(=O)O 1602685346 RUXQTJNTPITEAW-GXSJLCMTSA-N 317.363 -0.439 30 20 DBED C=CC[C@@H](CO)NC(=O)CNc1ccc(-c2nn[nH]n2)cn1 1602817101 ZADAOJAZXZNHAJ-JTQLQIEISA-N 303.326 -0.273 30 20 DBED CO[C@]1(CNC(=O)[C@@](C)(C#N)CC(=O)O)CCS(=O)(=O)C1 1604487641 SAZXTLGDNHHDPI-NEPJUHHUSA-N 318.351 -0.689 30 20 DBED N#Cc1ncn(CCNS(=O)(=O)CC2(CC(=O)O)CC2)n1 1610636951 POJQJZAOGPVODW-UHFFFAOYSA-N 313.339 -0.676 30 20 DBED COC1(CO)CCN(S(=O)(=O)N(C)C[C@H](C)C#N)CC1 1649873050 TVPUJKUJVJZZNT-LLVKDONJSA-N 305.400 -0.204 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@@H](NC(=O)c2snnc2C)C1 1752713129 NMPUBYMUQPAZDR-AOOOYVTPSA-N 307.379 -0.554 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@@H](CNCC(=O)NC)C2)nc1 1752958554 JRMOVQCMISLCKY-ZDUSSCGKSA-N 300.362 -0.139 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C[C@H]1CN2C(=O)Cn1nccc1C 1753424642 FTJFINFFTNXBDI-KBPBESRZSA-N 315.377 -0.774 30 20 DBED C#CCNC(=O)CN1CC[C@@H](N(C)C(=O)c2coc(OC)n2)C1 1753443402 VJNIVWBRHFQIHU-LLVKDONJSA-N 320.349 -0.421 30 20 DBED C=CCN1CC[C@H](N2CC[C@H](N(CC)C(=O)CC(N)=O)C2)C1=O 1753455911 XMJTZYSEAWNLSI-STQMWFEESA-N 322.409 -0.429 30 20 DBED C#CCNC(=O)CN[C@@H](C)[C@@H]1CCCN(C(=O)c2ncc[nH]2)C1 1753794132 KMDOFPVPVRUELU-QWHCGFSZSA-N 317.393 -0.011 30 20 DBED CC(C)C#CC(=O)NC[C@@H](O)CNCC(=O)N(C)CC1CC1 1753909009 DLUYGALNAKUCHA-AWEZNQCLSA-N 309.410 -0.419 30 20 DBED COCC#CCNCCCN(C)C(=O)C1CC(=O)NC(=O)C1 1754402720 CVFYDYCHEJHZNS-UHFFFAOYSA-N 309.366 -0.873 30 20 DBED COCC#CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)CN1CCCC1=O 1754418509 FGUXBZAPTJJMQQ-WWGRRREGSA-N 305.378 -0.553 30 20 DBED C#CCCCC(=O)NC[C@@]1(O)CCN([C@@H]2CCN(CC)C2=O)C1 1754748693 LHRNJEMBDOWWRL-PBHICJAKSA-N 321.421 -0.036 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(Cc2cc(OC)no2)C1 1754767879 WPGFVYWQFGHUCV-LLVKDONJSA-N 323.349 -0.616 30 20 DBED CN(CC(=O)N[C@H]1CC[C@H](CNCC#N)CC1)S(C)(=O)=O 1754952903 KDSBHUVTXWHSMS-HAQNSBGRSA-N 316.427 -0.334 30 20 DBED C#CCNC(=O)CN(C)CCCN(C)C(=O)c1csnn1 1755041333 QBNUBVRGGLFRAC-UHFFFAOYSA-N 309.395 -0.319 30 20 DBED C[C@@H](CN(C)C(=O)[C@@H]1CCN(C)[C@@H]1C)NCC(=O)NCC#N 1755587896 MWILHHNHMHZOSU-YNEHKIRRSA-N 309.414 -0.597 30 20 DBED COCC#CCNC[C@@H]1CC[C@@H](NC(=O)c2c[nH]c(=O)cn2)C1 1755743795 NKOIYIRBJFHLQH-CHWSQXEVSA-N 318.377 -0.092 30 20 DBED CC#CCN(C)C[C@@H](O)CN(C)C(=O)c1ccc(OC)nn1 1755807082 PZCXLEYFBLPJEA-GFCCVEGCSA-N 306.366 -0.127 30 20 DBED CC(=O)N1CC(C(=O)N[C@@H](C)[C@H](C)NC(=O)C#CC2CC2)C1 1755963555 AYMOHWRWZSUXOF-QWRGUYRKSA-N 305.378 -0.113 30 20 DBED C=CCOCC(=O)N(C)[C@@H](C)CNC(=O)c1cnnc(O)c1 1756040426 PVFPGYLNEBMRPM-JTQLQIEISA-N 308.338 -0.039 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC([C@H](C)NC(=O)Cc2nc[nH]n2)C1 1756161838 XEIGDTJZBWRMLE-QWRGUYRKSA-N 321.381 -0.099 30 20 DBED C=CCCC(=O)N[C@@H](C)CN(C)C(=O)CN1CCN(C)C(=O)C1 1756471811 BJBZVWQWICNQJF-ZDUSSCGKSA-N 324.425 -0.310 30 20 DBED Cc1nc[nH]c1C(=O)N1C[C@H](O)[C@H](NC(=O)C#CC2CC2)C1 1757171910 MVTFWZKDKATREQ-NEPJUHHUSA-N 302.334 -0.567 30 20 DBED CCN(CCC#N)S(=O)(=O)N1C[C@@H](OC)C[C@H](C(=O)O)C1 1776863612 FZXQQAFWFBPAEI-QWRGUYRKSA-N 319.383 -0.112 30 20 DBED CS(=O)(=O)CCCS(=O)(=O)N[C@H](CCC#N)C(=O)O 1777396025 GNAGXQGTORFSDL-MRVPVSSYSA-N 312.369 -0.903 30 20 DBED COc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@@H](C(N)=O)C1 50170947 PTUQTUTUQUZZAT-SNVBAGLBSA-N 316.317 -0.161 30 20 DBED CN1C(=O)C[C@H](NS(=O)(=O)c2cccc(F)c2C#N)C1=O 116074690 QKAMFMMSSZAHDT-VIFPVBQESA-N 311.294 -0.267 30 20 DBED C=CCNC(=O)CNC(=O)c1cn(CC(=O)C(C)(C)C)nn1 181717850 LRQWZGCXTORIEY-UHFFFAOYSA-N 307.354 -0.075 30 20 DBED CCS(=O)(=O)C[C@H](C)Nc1c(C#N)c(=O)n(C)c(=O)n1C 264901284 BRKBNHVMGLZDAQ-QMMMGPOBSA-N 314.367 -0.809 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N1CCO[C@H](CNC(C)=O)C1 265506080 YTPDGDQFDDWNJS-ZYHUDNBSSA-N 312.370 -0.776 30 20 DBED C=CCNC(=O)CNC(=O)C(=O)Nc1cccnc1OCC 271977556 GVYVXPMMXHHQGP-UHFFFAOYSA-N 306.322 -0.163 30 20 DBED C=CCS(=O)(=O)CCNS(=O)(=O)c1cnn(C)c1C 292701476 STZDXJZCFPROLM-UHFFFAOYSA-N 307.397 -0.392 30 20 DBED C[C@H](CN1CCN(C)CC1)N/C(O)=N/C[C@H]1COCCO1 329139440 FGSODUXYZKLRAH-OLZOCXBDSA-N 300.403 -0.459 30 20 DBED CC[C@H](COC)/N=C(/O)N1CCC(NS(=O)(=O)NC)CC1 331229738 GOKNKOIEDBJUAN-SNVBAGLBSA-N 322.431 -0.156 30 20 DBED CCNS(=O)(=O)[C@H]1CCN(S(=O)(=O)CC2(C#N)CC2)C1 331558982 WVYQYLAJANAWGY-JTQLQIEISA-N 321.424 -0.366 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@@H](C)CS(C)(=O)=O 332450606 GMRPKNVWVTVKDF-UWVGGRQHSA-N 311.429 -0.265 30 20 DBED C=CCCOCCNC(=O)C(=O)N1C[C@@H](C)O[C@@H](CO)C1 342006525 PTSZSCRGTICXES-VXGBXAGGSA-N 300.355 -0.697 30 20 DBED CC[C@H](C#N)NC(=O)CCS(=O)(=O)NCC(=O)NC(C)C 344788773 ROLBYHVXTYKYDO-SNVBAGLBSA-N 318.399 -0.761 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N[C@@H](COC)[C@@H]1CCCO1 346925340 BAIRXVUMJUQNFG-STQMWFEESA-N 314.382 -0.042 30 20 DBED N#Cc1ccc([C@@H](C(N)=O)N2CCC[C@@H](S(N)(=O)=O)C2)cc1 347525563 CJQCRARQRPYXRN-OLZOCXBDSA-N 322.390 -0.162 30 20 DBED N#CCCCS(=O)(=O)NCCS(=O)(=O)NCC1CCC1 348118676 YKGCNOFTYULPAW-UHFFFAOYSA-N 323.440 -0.071 30 20 DBED COC(=O)CN(CC#N)CC(=O)N1CCC[C@H](NC(C)=O)C1 356673042 MEOJYFADZJIFFS-LBPRGKRZSA-N 310.354 -0.888 30 20 DBED COCCCOCCN(C)C(=O)NCCn1cnc(C#N)n1 357873637 DIYUQVXFFRDMSQ-UHFFFAOYSA-N 310.358 -0.156 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@H](C)[C@H](O)C2)C1=O 357884926 ZOJMNTANAYSXKM-NXEZZACHSA-N 309.322 -0.808 30 20 DBED C=CCNc1nnc(S(=O)(=O)CC(=O)NCCC)s1 358735213 MJRCQMNPUBHBRJ-UHFFFAOYSA-N 304.397 0.436 30 20 DBED C=CCCN(C)C(=O)C(=O)N1C[C@@H](N)[C@H](c2cnn(C)c2)C1 424491321 DAAAAWJETMNQIJ-QWHCGFSZSA-N 305.382 -0.292 30 20 DBED C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@@H]3O 425902176 UTQXDJPLDLBFFW-KQBRZWLDSA-N 320.389 -0.079 30 20 DBED C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC1(C#N)CCC1 445910654 UNGMCFHUTIREEB-VIFPVBQESA-N 311.367 -0.351 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1CC[C@@H](C(=O)O)[C@H]1C 514864791 CCVSPNMNTYYCQQ-GHMZBOCLSA-N 319.383 -0.112 30 20 DBED N#Cc1cncnc1N1CCN(C(=O)CN2CCOCC2)CC1 516601618 JLFJXJCZJZENBC-UHFFFAOYSA-N 316.365 -0.671 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N(C)CCN1CCCC1=O 563391948 FIWPDKVAUXPEOE-LLVKDONJSA-N 302.400 -0.123 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N(C)CCN1CCCC1=O 563391950 FIWPDKVAUXPEOE-NSHDSACASA-N 302.400 -0.123 30 20 DBED CN(CCC#N)C[C@@H](O)CNCCNC(=O)c1cnccn1 566110557 MBZWGVZHKFZHHN-LBPRGKRZSA-N 306.370 -0.998 30 20 DBED COCCN([C@@H](C)C(=O)O)S(=O)(=O)N(C)C[C@H](C)C#N 573254857 AWFILQWUHXAVTA-ZJUUUORDSA-N 307.372 -0.256 30 20 DBED C[C@H](NC(=O)NCCn1cnc(C#N)n1)[C@@H]1CN(C)CCO1 588167408 KWOUACMZXPSGRN-QWRGUYRKSA-N 307.358 -0.832 30 20 DBED CCN(CC(=O)N(C)C)C(=O)C(=O)Nc1cccc(C#N)n1 592285417 RMMSJWZGIDTGNB-UHFFFAOYSA-N 303.322 -0.172 30 20 DBED N#Cc1sccc1N1CCN(C(=O)CNC(=O)CN)CC1 595938667 PHKAOFUERIJKCY-UHFFFAOYSA-N 307.379 -0.657 30 20 DBED N#Cc1cnnc(NCCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c1 596163271 ILHIOGMYTXLTMT-IMIFBBOLSA-N 309.329 0.567 30 20 DBED CN(C(=O)[C@H]1CCCN(S(N)(=O)=O)C1)C1(C#N)CCC1 596910437 FSQIZFHJAJSWRO-JTQLQIEISA-N 300.384 -0.193 30 20 DBED N#Cc1ccc(CN2CC[C@@H](NC(=O)[C@H]3CC(=O)N3)C2=O)cc1 597563174 RBVRUMPUVFBHDY-CHWSQXEVSA-N 312.329 -0.336 30 20 DBED C[C@H](NC(=O)C(=O)N1CCN(CCC#N)CC1)C1CCOCC1 602251966 OHDNLTUKIAOBNI-ZDUSSCGKSA-N 322.409 -0.024 30 20 DBED COCCN(CCC#N)C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 610987698 SCALJVUVNHBWHR-CYBMUJFWSA-N 310.398 -0.215 30 20 DBED CC#CC[C@H](CO)NS(=O)(=O)c1ccc2[nH]c(=O)cnc2c1 645884935 XAQAJYIICNFMCI-SNVBAGLBSA-N 321.358 -0.024 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)c2cnc(OC)nc2)CC1 733949656 GOWALIRDCLUVNB-UHFFFAOYSA-N 319.365 -0.455 30 20 DBED C[C@@]1(C2CC2)NC(=O)N(CC(=O)N(CC#N)CC(=O)O)C1=O 736738680 UTSPBNFUXHDGID-ZDUSSCGKSA-N 308.294 -0.856 30 20 DBED CN(Cc1cnn(C)c1)C(=O)Cn1ccc(C=NO)nc1=O 747836643 YDOZDDXYFMFQBZ-UHFFFAOYSA-N 304.310 -0.557 30 20 DBED COCCONC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 810478919 DWWSAEBOFXRVNU-UHFFFAOYSA-N 313.335 -0.469 30 20 DBED C#CCCS(=O)(=O)NC(=O)[C@@H](C)Sc1nncn1C 810786845 ZNWBNAKGUHPDOE-MRVPVSSYSA-N 302.381 -0.235 30 20 DBED O=C(N[C@H]1CCCN(O)C1=O)c1cnc2sccn2c1=O 816753521 JUMZZFVDYRBKPC-QMMMGPOBSA-N 308.319 -0.134 30 20 DBED CN(C)C(=O)CN1CCN(C(=O)[C@](C)(C#N)CC(=O)O)CC1 820530357 FCMZKYCKKFXEHE-AWEZNQCLSA-N 310.354 -0.777 30 20 DBED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(F)c(C(=O)O)c1 833377159 OLNZFNRMXHTWLI-UHFFFAOYSA-N 323.280 -0.119 30 20 DBED C#CCNS(=O)(=O)N1CCN(CCOCC2CCC2)CC1 842154930 YZDGQJNRDBCMJK-UHFFFAOYSA-N 315.439 -0.112 30 20 DBED C=CCn1cc(C(=O)N2CCN(S(=O)(=O)CC)CC2)nn1 843781138 YQPMHUHRBWPJIL-UHFFFAOYSA-N 313.383 -0.428 30 20 DBED C#CC1CCN(C(=O)[C@H](C)NS(=O)(=O)c2cnn(C)c2)CC1 844045843 RIZSFMYTLRRNKA-NSHDSACASA-N 324.406 -0.041 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N(C)Cc1cnn(C)c1 875601731 RCLDSAQHEPMNKT-ZDUSSCGKSA-N 306.366 -0.077 30 20 DBED C#CCN1CCC[C@H](NC(=O)NCCCN2C(=O)CCC2=O)C1 884131478 MEBJLIUUXZJOGO-ZDUSSCGKSA-N 320.393 -0.078 30 20 DBED C#CCSCC(=O)NCCN1CCN(S(C)(=O)=O)CC1 895856953 YMQGPNMZFGZYGI-UHFFFAOYSA-N 319.452 -0.954 30 20 DBED CS(=O)(=O)CCOCCNC(=O)N1CCC[C@@H](C#N)C1 920388795 AQBYCOCKQLREHN-NSHDSACASA-N 303.384 -0.007 30 20 DBED C#CC1(O)CN([C@H](C)C(=O)N2CCC[C@@H](C(=O)OCC)C2)C1 934447060 LHBZAFDOHXPJOW-CHWSQXEVSA-N 308.378 -0.144 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@@H]2CCOC2)C1 937734361 RJMSKOPNIKCVAS-ILXRZTDVSA-N 319.405 -0.162 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cnon2)C1 938861564 SCNXASXCMYZVHM-UMNHJUIQSA-N 306.322 -0.009 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](NC(=O)CN2CCCNC2=O)C1 941466887 SBMDOEQYHNEARI-WDEREUQCSA-N 307.354 -0.722 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 948096289 JFNXKJHBVOSTPC-ZMLRMANQSA-N 322.365 -0.714 30 20 DBED C=CCN1CC[C@H](N2CCN(C(=O)[C@H]3CCNC3=O)CC2)C1=O 949641815 AEXQNTAUQDPTFA-STQMWFEESA-N 320.393 -0.946 30 20 DBED CN1CCO[C@H](C(=O)N[C@@H]2CCCN(C(=O)C#CC3CC3)C2)C1 950758382 HZEZBCIRJUXFCX-CABCVRRESA-N 319.405 -0.162 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@H]2CCNC2=O)C1 954964989 PRIDIMQRJQXMAS-AGIUHOORSA-N 321.377 -0.617 30 20 DBED COCC(=O)N1CC[C@@H](N2CCN(C(=O)[C@@H](C)C#N)CC2)C1 956605566 LDVNPTFVONLOMH-QWHCGFSZSA-N 308.382 -0.462 30 20 DBED CC#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cnn3c2OCCC3)C1 958220278 WFMFQDRPEZJEIX-GXTWGEPZSA-N 318.377 -0.289 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cc2cnn(C)c2)C1 958725744 NKSFKGFDUBDQPA-DRZSPHRISA-N 319.365 -0.848 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)C1=COCCO1 959970432 LCMQBBPYOSVIFW-SDDRHHMPSA-N 321.333 -0.528 30 20 DBED C#CCCN1C[C@H]2C(NC(=O)[C@@H](C)N3C(=O)CCC3=O)[C@@H]2C1 960169268 VBMDJJKPAPEXDK-IJLUTSLNSA-N 303.362 -0.406 30 20 DBED Cc1ocnc1C(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 961803056 OYMGULZMBIESSA-NEPJUHHUSA-N 303.318 -0.302 30 20 DBED N#Cc1ccc(C(=O)N2C[C@H](O)[C@H](NC(=O)c3cocn3)C2)[nH]1 961878331 XGFKXHPVXWAIRV-PWSUYJOCSA-N 315.289 -0.510 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@H](NC(=O)[C@@H](C)n2cncn2)C1 962359843 PHVSMKZZVZJZPK-UTUOFQBUSA-N 321.381 -0.261 30 20 DBED C=C1CC(C)(C(=O)N[C@H]2CN(C(=O)Cn3cnnn3)C[C@@H]2C)C1 966139353 RYFPRNMJGNUGNH-RYUDHWBXSA-N 318.381 -0.008 30 20 DBED CC1(C)CN(C(=O)c2c[nH]c(C#N)c2)CC[C@@H]1NC(=O)C(N)=O 967120087 WYUYDISEWDUKGL-NSHDSACASA-N 317.349 -0.271 30 20 DBED CCN(C(=O)[C@@H]1COC(=O)N1)C1CN(C(=O)C#CC2CC2)C1 967928102 GWDQBSBLQONJLT-LBPRGKRZSA-N 305.334 -0.433 30 20 DBED CCN(C(=O)[C@@H]1CN(C)C(=O)N1)C1CN(C(=O)[C@H](C)C#N)C1 968214101 QDZCTZZPWICQDH-KOLCDFICSA-N 307.354 -0.771 30 20 DBED C[C@]1(C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2O)CCOC1 970098498 BFGIUOOJEDLCBM-WWGRRREGSA-N 306.362 -0.486 30 20 DBED C=C1CCC(C(=O)N[C@@H]2CN(C(=O)c3nc[nH]n3)C[C@@H]2O)CC1 970333817 OTFSNKSQQQBFGE-NEPJUHHUSA-N 319.365 -0.147 30 20 DBED C#CCN(C)[C@@H]1CCN(C(=O)c2coc(S(N)(=O)=O)c2)C1 971815252 ZVCOQKGNSPWMAC-LLVKDONJSA-N 311.363 -0.294 30 20 DBED N#CCN1CCO[C@@]2(CCN(C(=O)CCc3cnn[nH]3)C2)C1 972561997 YNKHXRCEMALYMI-AWEZNQCLSA-N 304.354 -0.436 30 20 DBED C=CCN(C)[C@@H]1CCN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 972567437 HMZVBPVDLDMMOF-LLVKDONJSA-N 316.365 -0.210 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H](CNC(=O)c2cnn(C)n2)C1 975378467 BQWLYRQOYVFJNM-QWRGUYRKSA-N 304.354 -0.057 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H]2[C@H](NC(=O)[C@@H]3CNC(=O)N3)[C@H]2C1 977083142 JOQHXLHCBCXOML-ZRUFSTJUSA-N 306.366 -0.547 30 20 DBED N#CCN1C[C@@H]2C(CNC(=O)c3cn4c(n3)COCC4)[C@H]2C1 978329863 CUXIUWYVOOOWQC-VXGBXAGGSA-N 301.350 -0.156 30 20 DBED C=CCN1C[C@@H]2C(CNC(=O)c3cn(C)c(=O)nc3O)[C@H]2C1 979077920 YAVRWXSVJBAMTH-GHMZBOCLSA-N 304.350 -0.421 30 20 DBED C[C@@H]1[C@@H](NC(=O)[C@@H]2CC(=O)N(C)C2)CCN1C(=O)C#CC1CC1 988496024 IHLROLBPEITRRP-BNOWGMLFSA-N 317.389 -0.016 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2CCCN2C)C1 990521869 GWMFMWLILRSJSX-MCIONIFRSA-N 307.394 -0.001 30 20 DBED N#CCN1CC[C@@]2(NC(=O)CN3C(=O)CNC3=O)CCC[C@@H]12 992473227 KGWVMSFNZBRJCS-YGRLFVJLSA-N 305.338 -0.825 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(NCc2nnnn2C)CC1 997012462 UECGZYMKQCNCAF-OLZOCXBDSA-N 320.397 -0.118 30 20 DBED C#CCN1CCC(C(=O)N(C)C2CC(N[C@@H](C)C(N)=O)C2)CC1 999870703 PIVXANANVXZHHL-GRTSSRMGSA-N 320.437 -0.216 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H]1CN(C)C(=O)c1c[nH]c(=O)cn1 1002918462 ALAWRZFRFMEFJC-WDEREUQCSA-N 317.349 -0.007 30 20 DBED N#Cc1ccc(C(=O)N2CC(CNC(=O)[C@@H]3CCC(=O)N3)C2)[nH]1 1003475987 YSOBQYNKGDPAKX-NSHDSACASA-N 315.333 -0.647 30 20 DBED N#Cc1ccc(C(=O)NC[C@@H]2CCCCCN2C(=O)C(N)=O)[nH]1 1005399372 OFTYEQBEUIMNNS-NSHDSACASA-N 317.349 -0.127 30 20 DBED C[C@H]1[C@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)CC(N)=O 1011591560 PDGGVHJNNRTSFE-WCBMZHEXSA-N 303.322 -0.519 30 20 DBED C[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCCN1C(=O)CC(N)=O 1014887324 YTVKPEYTTVSVAN-SKDRFNHKSA-N 317.349 -0.129 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)[C@@H]2CCN(C)S2(=O)=O)C1 1015825817 SEEWKBRFFGKRJK-NEPJUHHUSA-N 301.412 -0.213 30 20 DBED C=CCN1CC[C@H](N2CC[C@H](NC(=O)c3cnon3)C2)C1=O 1015877518 WHFQHDYSCULQRP-JQWIXIFHSA-N 305.338 -0.339 30 20 DBED C[C@H](C#N)C(=O)N1CCCO[C@H](CNC(=O)C2=COCCO2)C1 1019519290 NSGMJTQUBHQEMR-VXGBXAGGSA-N 323.349 -0.232 30 20 DBED C=CCN1CC[C@@H](NC[C@H]2CCN(C(=O)c3nc[nH]n3)C2)C1=O 1027128516 XAVINFCULJFRQI-VXGBXAGGSA-N 318.381 -0.357 30 20 DBED C=CCN1CC[C@@H](N(C)[C@@H]2CCCN(C(=O)C(N)=O)C2)C1=O 1027551867 DHPMSHHGRLNVQC-VXGBXAGGSA-N 308.382 -0.819 30 20 DBED C#CCN1CCC[C@H]1CNC(=O)c1ccc(-n2cnnn2)cn1 1028047130 PUUGQFYDEVGSMK-LBPRGKRZSA-N 311.349 -0.115 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)c3cnc(O)n3C)C2)C1=O 1030794991 GTGBQYITCFSQEM-LLVKDONJSA-N 319.365 -0.673 30 20 DBED C=CCN1CC[C@@H](N2CC(CNC(=O)c3[nH]nnc3C)C2)C1=O 1031894934 YVOMZDCBBVXEGP-GFCCVEGCSA-N 318.381 -0.438 30 20 DBED C#CCN1CC2(CCN(C(=O)c3cn(C)c(=O)nc3O)CC2)C1 1035849967 SVAOLLFWOXTYHW-UHFFFAOYSA-N 316.361 -0.343 30 20 DBED C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1c(O)nnc1O 1039464403 ILLGMJWYMYHEFQ-MNOVXSKESA-N 305.338 -0.612 30 20 DBED CC[C@H](OC)C(=O)N1CC[C@](O)(CNC(=O)C#CC2CC2)C1 1039677680 KYEZINVWKXAMBC-BBRMVZONSA-N 308.378 -0.096 30 20 DBED C#CCCCC(=O)N1CC[C@@](O)(CNC(=O)c2cnn(C)n2)C1 1040303613 XCXSKAUNUUSFOI-OAHLLOKOSA-N 319.365 -0.688 30 20 DBED Cc1n[nH]cc1C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1O 1041270733 PJICOBJAWJVLDI-VXGBXAGGSA-N 313.321 -0.641 30 20 DBED N#Cc1cnc(N2C[C@@H](O)[C@H](NC(=O)c3n[nH]cc3F)C2)cn1 1041327093 HLTVIIJVZNLQEA-NXEZZACHSA-N 317.284 -0.810 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)[C@H](C)SC)C1 1041624459 NXQBEWWTQJUNLC-NSHDSACASA-N 314.407 -0.533 30 20 DBED C=CCCCC(=O)N1CC(O)(CNC(=O)[C@@H](C)n2cncn2)C1 1042643993 FUIKUIWVWFTOCV-GFCCVEGCSA-N 321.381 -0.115 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)[C@@H](OC)C2CC2)C1 1042836519 CMAJOMLFJSAAPZ-AWEZNQCLSA-N 308.378 -0.096 30 20 DBED Cc1cn(C)nc1C(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042958293 IVKHMOPTGBJGEN-UHFFFAOYSA-N 316.361 -0.555 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)c2ocnc2C)C1 1043032446 BCPYNGUUIXHTNV-UHFFFAOYSA-N 321.333 -0.674 30 20 DBED C=C(C)CCC(=O)N1CC(O)(CNC(=O)CC(=O)N(C)C)C1 1043102506 SVPFBRQZMFFHLV-UHFFFAOYSA-N 311.382 -0.490 30 20 DBED C=C(C)CCC(=O)NCC1(O)CN(C(=O)[C@@H]2CC(=O)N(C)C2)C1 1043319146 AARKEAMHQDAVDR-GFCCVEGCSA-N 323.393 -0.490 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)C2(COC)CC2)C1 1043866839 ZEICZVVNNUGJMB-GFCCVEGCSA-N 324.377 -0.859 30 20 DBED O=C(C#CC1CC1)N1CC(O)(CNC(=O)C23CCN(CC2)C3)C1 1044023310 JACOTRPEIXVJHR-UHFFFAOYSA-N 317.389 -0.815 30 20 DBED C=CCN1CC(N(C)C(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 1044061480 IMAVNYHCDVWKFR-UHFFFAOYSA-N 302.338 -0.600 30 20 DBED N#CCN1CC[C@]2(CCCCN(C(=O)[C@H]3CNC(=O)N3)C2)C1 1045961701 AEGRKRSYXHSVIA-IUODEOHRSA-N 305.382 -0.104 30 20 DBED N#CCN1CC[C@H](N2CCN(C(=O)c3cnccn3)CC2)C1 1045996945 KTAFREDDYXCVOM-ZDUSSCGKSA-N 300.366 -0.168 30 20 DBED Cc1cnn(CC(=O)N2CCN([C@@H]3CCN(CC#N)C3)CC2)c1 1046008814 AAMITUPXZQUMIP-OAHLLOKOSA-N 316.409 -0.066 30 20 DBED C#CCN1CC[C@H](N2CCN(C(=O)CCc3nc[nH]n3)CC2)C1 1046017815 QZYXMNSFEIAVPW-AWEZNQCLSA-N 316.409 -0.411 30 20 DBED C=CCCN1CC[C@H](N2CCN(C(=O)[C@H]3COC(=O)N3)CC2)C1 1046023986 AZASLOJPQBZYDQ-UONOGXRCSA-N 322.409 -0.111 30 20 DBED N#Cc1ccc(N[C@H]2C[C@H](CNC(=O)[C@@H]3CCC(=O)N3)C2)nn1 1046861936 KMHWPTXVJIFBOI-DLOVCJGASA-N 314.349 -0.066 30 20 DBED CN1CC(=O)N(CC(=O)N[C@@H]2C[C@H]3C[C@@H](C2)N(CC#N)C3)C1=O 1047197964 QGHWCEUBPOWVJN-TUAOUCFPSA-N 319.365 -0.627 30 20 DBED CN(C(=O)c1cn(C)nc1C1CC1)[C@H]1CN(CC#N)C[C@@H]1O 1047397078 LZAYGKSGTBYKTK-STQMWFEESA-N 303.366 -0.062 30 20 DBED C#CCCCC(=O)N(C)[C@H]1CN(C(=O)c2cnn[nH]2)C[C@@H]1O 1048740952 PNUUVQZBNFVYFZ-RYUDHWBXSA-N 305.338 -0.748 30 20 DBED C#CCOCCC(=O)N(C)[C@H]1CN(C(=O)[C@@H](F)CC)C[C@@H]1O 1048847239 DXORTHIGBAGBCK-AVGNSLFASA-N 314.357 -0.196 30 20 DBED C#CCN1C[C@H]2CN(C(=O)[C@@H]3CCN(C)S3(=O)=O)C[C@H]2C1 1049109536 UHNZDAOWJWLDEH-XQQFMLRXSA-N 311.407 -0.956 30 20 DBED C[C@@H](NC(=O)C#CC1CC1)[C@H]1CCN(C(=O)CNC(N)=O)C1 1049984666 VTICWJCBOAYSKA-PWSUYJOCSA-N 306.366 -0.579 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)c1c(C)nn(C)c1OC 1051145727 LDNVQIRBILCZFD-LBPRGKRZSA-N 306.366 -0.199 30 20 DBED N#CCN1CCOC[C@@H]1CNC(=O)c1ccc(C(N)=O)nc1 1051268509 KWLPANPPKGJORI-NSHDSACASA-N 303.322 -0.865 30 20 DBED C#CCCN1CCOC[C@@H]1CNC(=O)c1cc(C(N)=O)ccn1 1051274320 WFWHAGTZDQZALA-ZDUSSCGKSA-N 316.361 -0.366 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1C 1051923398 XHUYBUCHCRUPAZ-NWDGAFQWSA-N 306.370 -0.150 30 20 DBED N#CCN1CCN([C@H]2CCN(C(=O)[C@@]3(F)CCOC3)C2)CC1 1052070646 KPMNJNPEIPNUTQ-DZGCQCFKSA-N 310.373 -0.143 30 20 DBED N#Cc1cccnc1NC1CC(CNC(=O)[C@@H]2CNC(=O)N2)C1 1052072596 MACFNUBFZUUJAL-NHNAUAITSA-N 314.349 -0.059 30 20 DBED N#CCN1CC2(C1)CN(C(=O)c1cnn3c1OCCC3)CCO2 1053329026 MJPVVPPVGPAEJR-UHFFFAOYSA-N 317.349 -0.284 30 20 DBED C#CCN1CC2(C1)CN(C(=O)c1c[nH]c(C(N)=O)c1)CCO2 1053534456 WBGAKDVGZYUEAY-UHFFFAOYSA-N 302.334 -0.726 30 20 DBED C[C@H](C#N)C(=O)N[C@@]1(CO)CCCN(C(=O)Cc2cc[nH]n2)C1 1056092564 BLRIBEJNBABZSU-ABAIWWIYSA-N 319.365 -0.418 30 20 DBED N#Cc1ccc(N2C[C@H]3C(NC(=O)Cc4cc[nH]n4)[C@@H]3C2)nn1 1056161084 CXJBYRRNIQMMCT-VXGBXAGGSA-N 309.333 -0.135 30 20 DBED N#Cc1ccc(N[C@@H]2CCN(C(=O)[C@H]3COC(=O)N3)C2)nn1 1056617689 DUVMMOKWKNWBIB-NXEZZACHSA-N 302.294 -0.531 30 20 DBED C=CCCO[C@H](C)C(=O)N1CCC[C@H]2CN(C(=O)C(N)=O)C[C@H]21 1056621162 PCKFCBRALANZHU-FRRDWIJNSA-N 323.393 -0.098 30 20 DBED CN(c1ccc(C#N)nc1)[C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 1057017668 IPGXZPHWEBYQSP-CHWSQXEVSA-N 314.349 -0.328 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)c1ccnc(F)c1 1057149203 TWKVMVYDPDJNDF-SNVBAGLBSA-N 308.313 -0.069 30 20 DBED C#CCCCCC(=O)N(CCO)CCNC(=O)Cc1nc[nH]n1 1057388388 PDNTZXATPSTBAE-UHFFFAOYSA-N 321.381 -0.522 30 20 DBED C=C[C@](C)(O)CC(=O)N(CCO)CCNC(=O)c1cnc(C)[nH]1 1057449669 FZDQPHAWIJKWJQ-HNNXBMFYSA-N 324.381 -0.404 30 20 DBED C=C[C@@](C)(O)CC(=O)N(CCO)CCNC(=O)c1cccnc1 1057450349 OZGRYRKEQISIEJ-MRXNPFEDSA-N 321.377 -0.041 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)[C@H]1C[C@H]2C=C[C@H]1O2 1057524679 MVUVABAESYMZQB-QLFBSQMISA-N 320.389 -0.074 30 20 DBED N#Cc1ccc(N2CC[C@@H](NC(=O)[C@@H]3CCC(=O)N3)C2)nn1 1058408225 BFYTXWUSACYPIR-MNOVXSKESA-N 300.322 -0.678 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)[C@@H]1CCO[C@@H]1C 1058553055 UMWJYDAXLVSPID-CHWSQXEVSA-N 314.382 -0.449 30 20 DBED CN1C(=O)CC[C@@H]1C(=O)N1CC[C@H](Nc2ccc(C#N)nn2)C1 1059037740 BBZYJALPFDXALF-NWDGAFQWSA-N 314.349 -0.018 30 20 DBED Cc1cc(C#N)nc(N[C@H]2C[C@H](NC(=O)Cn3cnnn3)C2)n1 1059150815 YBPAIDCSBGYWPA-MGCOHNPYSA-N 313.325 -0.598 30 20 DBED N#Cc1cncc(N2CC[C@@H]3[C@H](CCCN3C(=O)C(N)=O)C2)n1 1059540850 ZOOUKWMSCRWNFF-ZYHUDNBSSA-N 314.349 -0.349 30 20 DBED N#Cc1cncc(N[C@H]2C[C@@H](NC(=O)[C@H]3COC(=O)N3)C2)n1 1059626959 RIUJZLJIHAIUDX-KHQFGBGNSA-N 302.294 -0.484 30 20 DBED N#Cc1cncc(N2CCC[C@@H]2CNC(=O)[C@@H]2CCC(=O)N2)n1 1061378908 ASWKRGFBVDNJGQ-NEPJUHHUSA-N 314.349 -0.288 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)CCc1cnn[nH]1 1061911999 MQUXBLBATMQZQU-CMPLNLGQSA-N 320.353 -0.759 30 20 DBED C#CCOCCC(=O)N1CCCC[C@@H]1CNC(=O)CNC(N)=O 1062209812 FHEJBUXPZFBBOB-GFCCVEGCSA-N 324.381 -0.808 30 20 DBED C#CCOCCC(=O)NCC1(NC(=O)c2cn(C)nn2)CCC1 1063039094 ZAYLXQIPBNRQDN-UHFFFAOYSA-N 319.365 -0.376 30 20 DBED C[C@@H]1CCCN(C(=O)C(N)=O)[C@H]1CN=c1cc[nH]cc1C#N 1063955266 ARKBKFAQVCCTHK-MFKMUULPSA-N 301.350 -0.101 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@H]1CN(C(=O)c2cn[nH]c2)CCO1 1064895834 LCUJESSFUKBKSP-IUODEOHRSA-N 322.365 -0.306 30 20 DBED CC#CCCCC(=O)N1CCO[C@@H](CNC(=O)CC(=O)NC)C1 1065484442 VYDPMJBRGDADQI-ZDUSSCGKSA-N 323.393 -0.340 30 20 DBED C=CCCO[C@H](C)C(=O)N[C@H]1CCCN(C(=O)C(N)=O)CC1 1065956873 SQFNPACYNHXHIZ-NEPJUHHUSA-N 311.382 -0.050 30 20 DBED C=CCCC(=O)N1CC2(C[C@H](NC(=O)CNC(=O)NC)CO2)C1 1068897429 YFJHXKXQGAVAQP-NSHDSACASA-N 324.381 -0.632 30 20 DBED C#CCCN1CCn2ncc(CNC(=O)[C@H]3COC(=O)N3)c2C1 1069859128 GOTZDTRQSUSNBX-GFCCVEGCSA-N 317.349 -0.553 30 20 DBED C#CCN[C@@H]1CN(C(=O)Cc2cccnc2)C[C@@H]1n1ccnn1 1070177585 CAXQNYQSBRXCPQ-CABCVRRESA-N 310.361 -0.110 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)[C@H]2COC(=O)N2)CCOCC1 1070231281 ROSZHCKELOUIPC-NXEZZACHSA-N 324.337 -0.964 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)[C@@H]2[C@H]3COC[C@H]32)CCOCC1 1070233798 FINQZHNNBADLCE-NDBYEHHHSA-N 321.377 -0.180 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@]2(F)CCOC2)C[C@@H]1n1ccnn1 1070259378 MDJSXEJUUWAGFV-DYEKYZERSA-N 307.329 -0.619 30 20 DBED Cc1nc(CC(=O)N2CCC[C@@H](NC(=O)[C@H](C)C#N)C2)n[nH]1 1070709104 RJXHTHBIZGDWRL-MWLCHTKSSA-N 304.354 -0.078 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)CCc2cnn[nH]2)CC1 1071001470 ZXVMQVZTXSGUSP-UHFFFAOYSA-N 320.397 -0.426 30 20 DBED CC#CCN1C[C@H](NC(=O)CN2CCNC(=O)C2)CC[C@H]1C 1071739802 YLSJRHZEHROBEP-ZIAGYGMSSA-N 306.410 -0.589 30 20 DBED C[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1NC(=O)C#CC1CC1 1072015090 YKHZIPKYKYGMCN-ZYHUDNBSSA-N 301.350 -0.195 30 20 DBED C[C@H]1CN(C(=O)Cc2nc[nH]n2)C[C@@H]1NC(=O)CSCC#N 1072777951 KIUUOMCSTRTJOB-UWVGGRQHSA-N 322.394 -0.433 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)[C@@H]2CCNC(=O)CC2)C1 1073714365 QWTYCYYSIKVRHD-KBPBESRZSA-N 307.394 -0.257 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCN(C(=O)CNC(C)=O)C[C@@H]1C 1073960427 NTVMMGBUKZJOLU-GXTWGEPZSA-N 323.393 -0.484 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)Cc3cnn(C)c3)C[C@@H]21 1074195082 OTLSUBJNTQCTSG-LSDHHAIUSA-N 302.378 -0.103 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CCN(C(=O)c2ncccn2)CC1 1074689520 DMYKWAXPAKEVJZ-LLVKDONJSA-N 317.349 -0.280 30 20 DBED C=CCOCC(=O)N1CC[C@H](NC(=O)CC(=O)NC)C[C@@H]1C 1074951501 RIOWXUDRTNLCSU-RYUDHWBXSA-N 311.382 -0.179 30 20 DBED C[C@@H](CCNC(=O)Cn1cnnn1)NC(=O)c1cc(C#N)c[nH]1 1075560684 DOYQHWPJICJQPJ-VIFPVBQESA-N 316.325 -0.802 30 20 DBED C=CCO[C@@H](C)C(=O)NCC[C@H](C)NC(=O)Cn1cnnn1 1077065912 BJFJGKODIJTGKY-QWRGUYRKSA-N 310.358 -0.725 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC(=O)N(CC(C)C)C2)C1 1077087217 AEKYMKTZNVFXAZ-RRFJBIMHSA-N 321.421 -0.325 30 20 DBED C=CCCOCC(=O)N[C@@H](C)CCNC(=O)C1(C(N)=O)CC1 1078113927 JFTDSHJJGDHPRL-NSHDSACASA-N 311.382 -0.144 30 20 DBED C#CCNC(=O)CC(=O)N1CC(N(CC)C(=O)C2(C)CC2)C1 1079902475 BHTWTAKKMLIQCK-UHFFFAOYSA-N 305.378 -0.015 30 20 DBED C#CCN1C[C@@H](NC(=O)Cc2c(C)nc(O)nc2O)[C@H](OC)C1 1082268043 MMDKUBPYOXJAIE-VXGBXAGGSA-N 320.349 -0.813 30 20 DBED Cn1nccc1CN1C[C@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 1083392611 QZPWDLPURIDOOF-KGLIPLIRSA-N 314.349 -0.405 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)C(=O)N2CCC(C)CC2)C1 1083837605 JNNDVEDKCLTBJG-KGLIPLIRSA-N 309.410 -0.018 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CO[C@@H]2CCN(CC(N)=O)C2)CC1 1088230787 ZCWOUXXGVHHFBN-TZMCWYRMSA-N 322.409 -0.039 30 20 DBED CC(=O)N[C@@H](C)C(=O)N1CC[C@H](N=c2cc[nH]c(C#N)n2)[C@@H]1C 1090196528 MFLTZUGVMAIVIV-NHCYSSNCSA-N 316.365 -0.304 30 20 DBED C=C(Cl)CN1CC[C@@H](NC(=O)CN2CCOCC2)[C@H](O)C1 1090203488 HIOUNCOPKPSAOJ-CHWSQXEVSA-N 317.817 -0.378 30 20 DBED C=CCN1CC[C@@H](NC(=O)Cc2ccc(C(N)=O)nc2)[C@@H](O)C1 1090360165 JPXGYMLXZWRTIG-OCCSQVGLSA-N 318.377 -0.540 30 20 DBED CN(C)Cc1cc(C(=O)N[C@@H]2CCN(CC#N)C[C@H]2O)no1 1090378996 UUWIWJGIKPDGKQ-DGCLKSJQSA-N 307.354 -0.575 30 20 DBED N#CCSCC(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@H]1O 1090393982 AJLYTMNZYMVDBB-DGCLKSJQSA-N 317.374 -0.124 30 20 DBED COC[C@@H](C)CC(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1O 1090476034 SMPXGGQJUBTWEN-CYZMBNFOSA-N 319.365 -0.313 30 20 DBED N#Cc1cncc(N2C[C@H](O)[C@H](NC(=O)CC(F)(F)F)C2)n1 1091078342 NOUQCXWLPKICRG-BDAKNGLRSA-N 315.255 -0.034 30 20 DBED COC[C@H](C)C(=O)N[C@@H]1CN(c2nc(C)cc(C#N)n2)C[C@@H]1O 1091089314 YQBCBBBYCYRLFP-BIMULSAOSA-N 319.365 -0.395 30 20 DBED CNC(=O)NCC(=O)NC[C@H]1C[C@@H](N=c2cc[nH]c(C#N)n2)C1 1091411206 UNBCJLRTFZNLPW-AOOOYVTPSA-N 317.353 -0.994 30 20 DBED CC(=O)N[C@H](C)C(=O)N[C@H]1CCN(c2nccnc2C#N)[C@@H]1C 1091923135 SSKGCYJIRMAIHQ-FOGDFJRCSA-N 316.365 -0.044 30 20 DBED COCCC(=O)N[C@@H]1CCN(c2cncc(C#N)n2)C[C@@H]1O 1092129412 AANVCEZUUINPEJ-NEPJUHHUSA-N 305.338 -0.559 30 20 DBED C#CCOCCC(=O)NC1[C@H]2CN(c3ccc(C#N)nn3)C[C@H]12 1093310418 IHIFARORGSHAFH-STQMWFEESA-N 311.345 -0.061 30 20 DBED C#CCN[C@@H]1C[C@@]2(C[C@H]1O)CN(C(=O)CC(N)=O)[C@H]2C(C)C 1093437738 WKIXGVVZLIROOP-AVRGHOLYSA-N 307.394 -0.539 30 20 DBED C#CCNC(=O)CC(=O)NCCNc1nccc(C)c1[N+](=O)[O-] 1093558369 QDKLRMGGEJCWOV-UHFFFAOYSA-N 319.321 -0.034 30 20 DBED CCc1nc(C#N)cc(NCCNC(=O)[C@H]2CCN(C)C2=O)n1 1094046661 BGOJIPQGDCXQHF-LLVKDONJSA-N 316.365 -0.083 30 20 DBED C[C@H]1CCN(C(=O)C(=O)NCCCN=c2cc[nH]c(C#N)n2)C1 1094582441 ZQWRRVXZJJTBRP-NSHDSACASA-N 316.365 -0.443 30 20 DBED CCN1CCOC[C@@H]1C(=O)NCCCNc1nccnc1C#N 1094653971 AYDJATFAVQPYEC-CYBMUJFWSA-N 318.381 -0.013 30 20 DBED N#Cc1cncc(N[C@H]2CCCN(C(=O)CNC(N)=O)C2)n1 1095274438 JLBPATJOGBDIMY-VIFPVBQESA-N 303.326 -0.581 30 20 DBED CC(=O)N(C)CC(=O)NC1CCN(c2nccnc2C#N)CC1 1095405117 BBIXWBCDPLUSJI-UHFFFAOYSA-N 316.365 -0.088 30 20 DBED CN(CCCNC(=O)[C@H]1COCCN1C)c1cnc(C#N)cn1 1095522306 MGIHAHUWYFRFAV-CYBMUJFWSA-N 318.381 -0.379 30 20 DBED C[C@@H](CC(N)=O)C(=O)NCCCN(C)c1cncc(C#N)n1 1095705027 RSNWRKXULJVHHH-JTQLQIEISA-N 304.354 -0.198 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H](Nc1ncccn1)C1CC1 1096650498 UCRUBUSFKMGYON-LBPRGKRZSA-N 301.350 -0.077 30 20 DBED C[C@H](NC(N)=O)C(=O)N[C@H]1C[C@@H](Nc2nccnc2C#N)C1 1097176101 PWFQIGRTCLVBIL-XHNCKOQMSA-N 303.326 -0.536 30 20 DBED C=CCCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H]1CCS(=O)(=O)N1 1098428419 LZPKXVKYTKOATG-LPWJVIDDSA-N 313.423 -0.024 30 20 DBED C#CCCCC(=O)N[C@@H]1CCN(Cc2cn(C)nn2)C[C@H]1O 1099804959 VCRCWPKUPYAHFD-ZIAGYGMSSA-N 305.382 -0.330 30 20 DBED C#CCCCC(=O)N[C@@H]1CCN(Cc2cnn(C)n2)C[C@H]1O 1099805071 WOJQGXAOKJIWCM-ZIAGYGMSSA-N 305.382 -0.330 30 20 DBED CCN(CC)C(=O)CN1CC[C@@H](NC(=O)C#CC2CC2)[C@@H](O)C1 1099826016 FHAHBBGAVUSISQ-CABCVRRESA-N 321.421 -0.180 30 20 DBED CN(CCNC(=O)c1cccc(=O)n1C)c1nccnc1C#N 1100319087 WSIZLVULQWYYEF-UHFFFAOYSA-N 312.333 -0.087 30 20 DBED C[C@@H](C(=O)NCCN(C)c1cnc(C#N)cn1)[C@@H]1CCC(=O)N1 1100333753 MJXNXGHNUDDIHS-PWSUYJOCSA-N 316.365 -0.185 30 20 DBED CCN(CCNC(=O)[C@H]1CCNC(=O)C1)c1ccnc(C#N)n1 1100499057 TWIWQIWANXFKEF-NSHDSACASA-N 316.365 -0.183 30 20 DBED N#Cc1nccc(N2CC[C@H](CNC(=O)Cc3nc[nH]n3)C2)n1 1101011247 AKCRVXJHLUCIFR-SNVBAGLBSA-N 312.337 -0.348 30 20 DBED CCCN(CCNC(=O)[C@@H]1COC(=O)N1)c1ccnc(C#N)n1 1101132652 SWBOYUKFGHPBBH-JTQLQIEISA-N 318.337 -0.211 30 20 DBED C[C@@H](CC(N)=O)C(=O)NCCN(c1ccnc(C#N)n1)C1CC1 1101430348 AFNFJRSMNRCFFX-JTQLQIEISA-N 316.365 -0.055 30 20 DBED CCc1nc(C#N)cc(NCCN(C)C(=O)CC(=O)NC)n1 1101556726 ZWKVNFJISPNPDD-UHFFFAOYSA-N 304.354 -0.083 30 20 DBED CCS(=O)(=O)CC(=O)N(C)CCNc1ccc(C#N)nn1 1101647397 ZRULLQPHRBLPQH-UHFFFAOYSA-N 311.367 -0.347 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)c1cccn(C)c1=O 1101700477 XGQWFKHZNMESOM-UHFFFAOYSA-N 312.333 -0.347 30 20 DBED C[C@@H](CNC(=O)C[C@@H](C)NC(N)=O)CNc1cncc(C#N)n1 1104098865 FNVWUUXPODJUIU-NXEZZACHSA-N 319.369 -0.041 30 20 DBED C[C@@H](CNC(=O)[C@H]1CC(=O)N(C)C1)CNc1ccc(C#N)nn1 1104254917 QZVQPBIPOACLQW-MNOVXSKESA-N 316.365 -0.009 30 20 DBED C=CCOCC(=O)NC[C@@H](O)CNc1cc(C)nc2ncnn12 1105747376 GOEJFPQTIYAQOF-NSHDSACASA-N 320.353 -0.476 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNc1cncc(C(=O)N(C)C)n1 1105773992 OOIRBTDGRPVHDS-ZJUUUORDSA-N 320.353 -0.773 30 20 DBED N#Cc1nccnc1NC[C@H](O)CNC(=O)c1ncccc1O 1105801856 DJVHXTORBSDYTP-VIFPVBQESA-N 314.305 -0.348 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)C23CCN(CC2)C3)nc1 1105918194 ZHXAYIDFMKHDDE-CYBMUJFWSA-N 315.377 -0.062 30 20 DBED CC#CCN1CC(n2cc(CNC(=O)COCCOC)nn2)C1 1107149644 MCYUNNFMNGQKTM-UHFFFAOYSA-N 321.381 -0.563 30 20 DBED N#CCN1CC(n2cc(CNC(=O)C[C@@H]3CCOC3)nn2)C1 1107150636 SEINKBHDQBZHDO-NSHDSACASA-N 304.354 -0.299 30 20 DBED COc1cc(C(=O)N[C@H](C)CN=c2cc[nH]c(C#N)n2)on1 1107725966 IHGDLBSOWFSACY-MRVPVSSYSA-N 302.294 -0.003 30 20 DBED C[C@]1(CNC(=O)CCn2ccccc2=O)CN(CC#N)CCO1 1107983468 LZHZHZPTEHYIMV-INIZCTEOSA-N 318.377 -0.031 30 20 DBED C#CCCN1CCO[C@](C)(CNC(=O)CCc2cnn(C)n2)C1 1108220092 LMQFOTXJDTWBLU-MRXNPFEDSA-N 319.409 -0.022 30 20 DBED C=C(C)C(C)(C)C(=O)N[C@H]1CC(=O)N(C2CN(CC(N)=O)C2)C1 1108561185 UAEDYXMQAZBWAC-NSHDSACASA-N 322.409 -0.525 30 20 DBED COCCC[C@H](C)C(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1 1108584161 BBZLPHRYYNCDBA-STQMWFEESA-N 322.409 -0.026 30 20 DBED CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1108970202 QKWKCLQNFDNBLL-NDBYEHHHSA-N 308.382 -0.227 30 20 DBED CC(=O)NCC(=O)N[C@H](CNc1nccnc1C#N)C1CC1 1109781650 ZTAUEVUNNOEYNM-GFCCVEGCSA-N 302.338 -0.209 30 20 DBED CC(=O)N(C)CC(=O)NCC1(Nc2nccnc2C#N)CC1 1110065517 PGBWHLHXQSTPQO-UHFFFAOYSA-N 302.338 -0.113 30 20 DBED COC[C@H](C)C(=O)NC[C@]1(O)CCN(c2cncc(C#N)n2)C1 1111043507 GPZVMTDCNJXIPF-XHDPSFHLSA-N 319.365 -0.312 30 20 DBED C[C@@H]1CN(C(=O)CNC(N)=O)C[C@@H]1CNc1nccnc1C#N 1111241041 NOCSPWZZLIPKMX-ZJUUUORDSA-N 317.353 -0.477 30 20 DBED C#CCOCCC(=O)N1CCN(Cc2ncnn2CCF)CC1 1112842815 DHZWPGIIMAXHDN-UHFFFAOYSA-N 323.372 -0.068 30 20 DBED CCC1(C(=O)N2CCN(CC(=O)NCC#N)CC2)CCOCC1 1113460464 RZZSTOSYHOSWCY-UHFFFAOYSA-N 322.409 -0.023 30 20 DBED COCCOCC(=O)NC[C@@H](C)N(C)c1ccnc(C#N)n1 1113539132 JDZLHCPNCMREOG-LLVKDONJSA-N 307.354 -0.048 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)CCOC(C)C)[C@H]2C1 1113897712 ZGSGRTYGFMIGIR-STQMWFEESA-N 307.394 -0.403 30 20 DBED Cc1ncncc1C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1113941957 DWGOELRBDZBAAB-IMRBUKKESA-N 314.349 -0.915 30 20 DBED CCCCOCC(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1114082323 JLYHYQRTIYLIMH-JYAVWHMHSA-N 308.382 -0.511 30 20 DBED CC#CCN1C[C@H]2C(NC(=O)[C@H](Cn3cccn3)N(C)C)[C@@H]2C1 1114405597 WDUDHYBCPXQRDW-KFWWJZLASA-N 315.421 -0.117 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@H](C3CC3)N(C)C)[C@H]2C1 1114410377 UVWNMMYPWCDINH-XNISGKROSA-N 318.421 -0.878 30 20 DBED CCN(C)C(C)(C)C(=O)NC1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]12 1114487916 CQZYSSJJDGLRPI-VXGBXAGGSA-N 321.425 -0.597 30 20 DBED N#Cc1ccc(N2C[C@H]3C(CNC(=O)Cn4ncnn4)[C@@H]3C2)cn1 1114573786 BZOKSSRJUJHGQZ-KBPBESRZSA-N 324.348 -0.562 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)Cc3cncn3C)[C@H]2C1 1115118900 NWYBAARGTBZLKA-STQMWFEESA-N 317.393 -0.689 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3cn(CC)cn3)[C@H]2C1 1115128818 SZHCANUYKGLHAA-JYAVWHMHSA-N 317.393 -0.135 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)CN3CCCC3)[C@@H]2C1 1115243516 PHBFJUIMUNKQNJ-BFHYXJOUSA-N 318.421 -0.734 30 20 DBED C[C@H](CN(C)C(=O)[C@@H]1COC(=O)N1)N=c1cc[nH]cc1C#N 1115702967 PLDIGBORLGHSRW-SKDRFNHKSA-N 303.322 -0.258 30 20 DBED C#C[C@H](C)NC(=O)C(=O)Nc1ccc(OC)c(OCC(N)=O)c1 1116712061 NLCMOPFXOQVRME-VIFPVBQESA-N 319.317 -0.364 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N1CCO[C@@H](C(=O)OC)C1 1117964508 WLLYRQBRJCTFOO-LLVKDONJSA-N 314.338 -0.952 30 20 DBED Cc1cc(C#N)nc(N[C@H](CO)CNC(=O)[C@H]2CCCO2)n1 1121183116 JFDDJGNBYNTGFW-NWDGAFQWSA-N 305.338 -0.275 30 20 DBED N#Cc1c[nH]ccc1=N[C@H](CO)CNC(=O)c1ccc(O)nc1 1121550370 QJYGEYXYZJECIG-LBPRGKRZSA-N 313.317 -0.321 30 20 DBED N#Cc1c(F)cccc1N[C@H](CO)CNC(=O)Cc1nc[nH]n1 1121995601 XGXZLBDMSQPYDG-VIFPVBQESA-N 318.312 -0.053 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H](CO)Nc1nc(C)cc(C#N)n1 1122035626 IXAAZJAHFPJTKQ-DGCLKSJQSA-N 317.349 -0.416 30 20 DBED COCC(=O)NCCNCC(=O)NCC#Cc1ccccc1 1122322975 KJCDFIQPPBSZQW-UHFFFAOYSA-N 303.362 -0.494 30 20 DBED Cc1ncc(C(=O)NC[C@H](CO)N=c2cc[nH]cc2C#N)n1C 1122404984 HGMKMBWYLNZSIW-GFCCVEGCSA-N 314.349 -0.380 30 20 DBED C[C@@]1(C(=O)NC[C@H](CO)Nc2ccc(C#N)nc2)CCC(=O)N1 1122486948 CPUROQYOVSNKJM-DOMZBBRYSA-N 317.349 -0.489 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CCCN(c2cncc(C#N)n2)[C@@H]1C 1123520506 AVNMAPQYILVLOG-ZWNOBZJWSA-N 316.365 -0.042 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C[C@@H](O)CNc1cncc(C#N)n1 1124518581 AKSJRQYSYHRBRN-YPMHNXCESA-N 317.349 -0.382 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1nc[nH]c1C(C)(C)C 1127659554 FSPZWXMXIBUFAC-UHFFFAOYSA-N 305.382 -0.224 30 20 DBED COCC#CCNCCNC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 1128019582 RFKZLEDNODSDER-OAHLLOKOSA-N 321.421 -0.009 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)COCc1cc(C)on1 1130116796 PQVARCIXVWTBQJ-GFCCVEGCSA-N 322.365 -0.657 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1cccc2c1CCOC2 1131201386 ROYMRUHITCDKHB-UHFFFAOYSA-N 316.361 -0.282 30 20 DBED CCCC(=O)N1CCC(=O)NCCN(CC(=O)NCC#N)CC1 1131318946 YUCFUIMMOIJLMQ-UHFFFAOYSA-N 323.397 -0.923 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@@H](C1CC1)N1CCCC1 1131786289 LWYQVWZIQZYYHK-OAHLLOKOSA-N 308.426 -0.131 30 20 DBED C=CCC[C@H](C)NCCNC(=O)CNS(=O)(=O)N(C)C 1134487672 XQEORWMMOMNZFA-NSHDSACASA-N 306.432 -0.557 30 20 DBED C#CCN[C@H](C)C[C@@H](C)NC(=O)CS(=O)(=O)CCOC 1134749830 ZRJDGQQNBPSMIJ-VXGBXAGGSA-N 304.412 -0.446 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1ccc2cccnn12 1134930549 FMDLIZBZYVLHQL-UHFFFAOYSA-N 300.322 -0.707 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)c2cnc(OC)nc2)C1=O 1146509020 KYPUCCFBSOFNFL-GFCCVEGCSA-N 319.365 -0.409 30 20 DBED C#CCN1CCC(C(=O)N[C@@H](C)C[C@H](C)NCC(=O)NC)CC1 1146569640 BORHIYDACDQXFR-KBPBESRZSA-N 322.453 -0.050 30 20 DBED CNC(=O)NC(=O)[C@H](C)N1CCC2(CN(C(=O)[C@@H](C)C#N)C2)C1 1147256240 QFHFKYVFNBWNBG-QWRGUYRKSA-N 321.381 -0.476 30 20 DBED C#CCNC(=O)CN1CCCO[C@@H](CNC(=O)CC2CC2)C1 1149037915 FLQGEQYXBKFAKH-AWEZNQCLSA-N 307.394 -0.257 30 20 DBED Cc1nc(CN2CCCO[C@H](CNC(=O)[C@@H](C)C#N)C2)n[nH]1 1149406629 JMNSZKDSQNQGHB-CMPLNLGQSA-N 306.370 -0.020 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@H](C)OCCOCC 1152201695 DRMAAJXAOOXLFU-STQMWFEESA-N 313.398 -0.728 30 20 DBED C=CCN(CC=C)C(=O)CNCCCNC(=O)c1cnnn1C 1157353478 APRTZGBTTVCPBO-UHFFFAOYSA-N 320.397 -0.275 30 20 DBED C=CCNC(=O)CNCCCNC(=O)c1cc(=O)c(OC)c[nH]1 1162632921 GSXWTZZSMWXAOM-UHFFFAOYSA-N 322.365 -0.605 30 20 DBED C=C(C)CCNCCCNC(=O)Cn1ncn2nccc2c1=O 1167541895 GYPPUBOUZORDLM-UHFFFAOYSA-N 318.381 -0.047 30 20 DBED C#CCCNCC1(CCNC(=O)CS(=O)(=O)N(C)C)CC1 1167923321 VLMPHWDYPGPKQB-UHFFFAOYSA-N 315.439 -0.223 30 20 DBED C[C@@H](CCCCNCC(=O)NCC#N)NC(=O)Cn1cncn1 1176476761 SHHMPTNOICBLLV-LBPRGKRZSA-N 321.385 -0.818 30 20 DBED COCCOCCC(=O)N1CC[C@@H]2OCCN(CC#N)[C@H]2C1 1177161306 CAPZVHCWMYZODU-KBPBESRZSA-N 311.382 -0.135 30 20 DBED C=C(Cl)CN[C@H]1CCN(C(=O)CNS(=O)(=O)NC)[C@H]1C 1179239101 QUIYMHHXFIOBFJ-UWVGGRQHSA-N 324.834 -0.628 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CC[C@@H](C)O2)[C@H]1C 1179565594 IRKXKSLCGVCAAJ-ZOBORPQBSA-N 307.394 -0.118 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)Cn2nccn2)C1 1182887060 AMWDIXSUCBYJGK-NWDGAFQWSA-N 306.370 -0.841 30 20 DBED C=CCOCCN[C@@H]1CCN(C(=O)CN(C)C(=O)COC)C1 1183014754 BBBDDMFFEGMDCL-CYBMUJFWSA-N 313.398 -0.516 30 20 DBED C=CCOCCN[C@@H]1CCN(C(=O)[C@H](C)S(C)(=O)=O)C1 1183657135 JYFRKVBIBOSNRL-NWDGAFQWSA-N 304.412 -0.187 30 20 DBED C[C@@H]1CN(C(=O)COCc2nncn2C)CC[C@@H]1CNCC#N 1185423694 OAPVOSXNKQBYFB-CHWSQXEVSA-N 320.397 -0.071 30 20 DBED C#CCOCCC(=O)N1CC[C@H]2CN(Cc3cn(C)nn3)C[C@H]21 1187873706 DDWGJAWOYRIOAE-DZGCQCFKSA-N 317.393 -0.112 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2cnn(C)c2C)C1 1188861444 DAZPEITZTNECGF-CYBMUJFWSA-N 317.393 -0.376 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)Cc2cnn(C)c2)C1 1189286852 AROVLMFPIGDQDZ-CQSZACIVSA-N 319.409 -0.203 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)[C@H]2CCN(C)C2=O)C1 1191840092 SXBDHIIREGPYNA-STQMWFEESA-N 322.409 -0.700 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CN(CC(=O)NCCC(C)(C)C)C[C@H]1O 1191863110 CPRSSCVEOSGRNL-YNEHKIRRSA-N 324.425 -0.140 30 20 DBED CO[C@@H]1CCC[C@@H]1C(=O)N1CCCN(CC(=O)NCC#N)CC1 1196339988 CXPFXNIOKYSJDD-UONOGXRCSA-N 322.409 -0.024 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)Cn2nccc2C)C1 1196469458 VPYGOCQSDIAVHK-ZIAGYGMSSA-N 306.366 -0.997 30 20 DBED C=CCNC(=O)CNC[C@H]1CN(C(=O)CSC)CCCO1 1199763923 VSFAAGBXPFLLSO-LBPRGKRZSA-N 315.439 -0.141 30 20 DBED C#CCNC[C@H]1CN(C(=O)CNC(=O)c2ccoc2)CCCO1 1200582818 MMUABHDSUWHLLN-AWEZNQCLSA-N 319.361 -0.150 30 20 DBED C#CCNC[C@@H]1CN(C(=O)c2cnc3n2CCOC3)CCCO1 1200730353 UQJGHRGSCNMBIZ-CYBMUJFWSA-N 318.377 -0.133 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)C(C)(C)NC(C)=O)CC1 1202967094 HKQZGVKJEZEQKU-UHFFFAOYSA-N 324.425 -0.216 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)[C@H]2CCOC2)CC1 1204691840 DUBFDLSBCKRREZ-AWEZNQCLSA-N 307.394 -0.400 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@H](NCC(=O)NCCC)C1 1207870159 RBMVTHKGEXLFEZ-ZDUSSCGKSA-N 322.409 -0.767 30 20 DBED N#CCNC(=O)CN[C@H]1CCCN(C(=O)CCc2ccon2)C1 1208560908 CVTDIENZAVZENG-ZDUSSCGKSA-N 319.365 -0.172 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2cnn(C)n2)C[C@H]1OC 1213961434 CRTIWILRBAEIFY-MRVWCRGKSA-N 323.397 -0.278 30 20 DBED Cc1ccc(C(=O)N2C[C@@H](NCC(=O)NCC#N)[C@H](C)C2)nn1 1214586375 XOAVJUQSKABHKK-ZWNOBZJWSA-N 316.365 -0.525 30 20 DBED COCC[C@@H](C)C(=O)N1C[C@@H](NCC(=O)NCC#N)[C@H](C)C1 1216795257 LDLGBKJHEPYNBT-JHJVBQTASA-N 310.398 -0.265 30 20 DBED COCC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1ccnn1C 1217436144 SGFWOKJPNZCWEV-LSDHHAIUSA-N 318.377 -0.405 30 20 DBED CC#CCCCC(=O)N1CCO[C@@H]2CN([C@H](C)C(N)=O)C[C@@H]21 1218504366 UPWROTDQRVJBKV-HZSPNIEDSA-N 307.394 -0.035 30 20 DBED C=CCCCC(=O)N1CCO[C@@H]2CN(Cc3nnn(C)n3)C[C@@H]21 1218566978 YWZQFDRKLVLFIL-QWHCGFSZSA-N 320.397 -0.022 30 20 DBED COc1ccc(CN2C[C@H](O)[C@H](NC(=O)C#CC(C)C)C2)nn1 1219581925 WOTITRMPLMIQCM-KGLIPLIRSA-N 318.377 -0.194 30 20 DBED N#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C[C@@H]2C[C@H]2C2CC2)C1 1220034109 OAQHOGILGFLNRB-FQUUOJAGSA-N 320.393 -0.776 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN([C@@H]2CCCNC2=O)C[C@@H]1O 1221139646 HSMKGMHTEPUVOW-UPJWGTAASA-N 311.382 -0.981 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2cnn(C)n2)C[C@@H]1O 1221143816 RXDZIAKYBZECQJ-RTXFEEFZSA-N 309.370 -0.933 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H]2CCN(Cc3cnon3)C[C@H]21 1221491353 GDYMABMYODTISW-DGCLKSJQSA-N 317.349 -0.758 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC(CNC(=O)c2nc[nH]n2)CC1 1224895438 VWAJJXDENIASEM-LLVKDONJSA-N 318.381 -0.616 30 20 DBED C#CCN[C@@H]1CCCC[C@H]1NC(=O)CCNS(C)(=O)=O 1226580014 QOJZEUZRDKDTIR-VXGBXAGGSA-N 301.412 -0.424 30 20 DBED C#CCOCCC(=O)N(C)C[C@H]1CCN1[C@H](C)c1nnnn1C 1234247227 YQWSZQQKPKCIMF-CHWSQXEVSA-N 320.397 -0.156 30 20 DBED C#C[C@@H](C)NC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 1320521542 LHOAOIGJEAGXLX-ZJUUUORDSA-N 311.363 -0.710 30 20 DBED C=C(C)COCCNC(=O)C(=O)N1C[C@H](C)O[C@@H](COC)C1 1323604292 URLUUNMVZZOPBS-QWHCGFSZSA-N 314.382 -0.042 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)NCCCNC(=O)C(C)C 1323679534 XBGYQKYDBRWGIG-UHFFFAOYSA-N 305.378 -0.250 30 20 DBED C=CC1CCN(C(=O)C(=O)NC[C@@H](C)S(C)(=O)=O)CC1 1323689271 YFCWOJVZGNCVTQ-SNVBAGLBSA-N 302.396 -0.040 30 20 DBED C=C(C)CN(CC)C(=O)C(=O)NCCNC(=O)c1cc[nH]n1 1323997977 RJWKESOJBNALHQ-UHFFFAOYSA-N 307.354 -0.320 30 20 DBED C=CCN1CCC(NC(=O)C(=O)N2CC(NC(=O)OC)C2)CC1 1324404928 ACOIOHLOCYUKDT-UHFFFAOYSA-N 324.381 -0.680 30 20 DBED C=CCOC[C@@H]1NC(=O)N(CCCCS(C)(=O)=O)C1=O 1325878997 MGCFRTYVZAXKAT-JTQLQIEISA-N 304.368 -0.066 30 20 DBED CC(C)(O)[C@H]1CCCN1C(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1326534176 UIWOITMWAXBEKG-ABAIWWIYSA-N 309.366 -0.375 30 20 DBED C=CCNC(=O)CNC(=O)C(=O)Nc1ncc(COC)s1 1326790572 YKLPOGXDNJUJAC-UHFFFAOYSA-N 312.351 -0.354 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CCC[C@@H]2[C@@H](C)O)nn1 1328526172 NYDSKVFMTHDYDN-ZYHUDNBSSA-N 307.354 -0.548 30 20 DBED COCCOCCCNC(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1329315747 SMSMDLJDPBAGRH-AWEZNQCLSA-N 313.354 -0.967 30 20 DBED C#CCCCn1nnnc1N1CCC[C@@H]1CS(=O)(=O)NC 1334117246 UTERBJLEKRJQSE-LLVKDONJSA-N 312.399 -0.396 30 20 DBED C=CCN(C)c1nnnn1C[C@H]1CCCN1S(C)(=O)=O 1334125506 IIBPRJTVBUSEPZ-SNVBAGLBSA-N 300.388 -0.281 30 20 DBED C#CCSCCn1nnnc1N1CCN(CCOC)C(=O)C1 1334195839 ILVBSDFSKRBGCU-UHFFFAOYSA-N 324.410 -0.666 30 20 DBED C=CCN(CCOC)c1nnnn1C[C@H]1CCCS1(=O)=O 1334549611 XCYPTEISGNKIKF-LLVKDONJSA-N 315.399 -0.111 30 20 DBED C=CCC1(O)CCN(C(=O)C(=O)N(C)CCC(=O)NC)CC1 1335505239 HMKLZYRDGHJQLT-UHFFFAOYSA-N 311.382 -0.490 30 20 DBED CCOC(=O)[C@H]1CCN(C(=O)C(=O)N2CCO[C@H](C#N)C2)C1 1338032084 YXCRXCQTDCXADI-WDEREUQCSA-N 309.322 -0.851 30 20 DBED CNC(=O)CN(C)C(=O)C(=O)Nc1ccc(F)cc1OCC#N 1340394635 BFGIXCZFONAVER-UHFFFAOYSA-N 322.296 -0.129 30 20 DBED N#C[C@H]1COCCN1C(=O)c1nc2ncc(CCO)cn2n1 1361969492 JSQPJRFKFHATIN-JTQLQIEISA-N 302.294 -0.976 30 20 DBED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)Cn2ncnn2)[C@H](C#N)C1 1362321807 ZRZOIPRJJXFLJM-NXEZZACHSA-N 321.341 -0.452 30 20 DBED N#Cc1cn(CCNC(=O)[C@@H](O)C2CCCCC2)c(=O)nc1O 1362690523 UUYIDMMJICSEJC-LBPRGKRZSA-N 320.349 -0.122 30 20 DBED C[C@H]1CN(C(=O)Cn2cc(C#N)c(O)nc2=O)CC2(CCC2)O1 1363203738 USKQFUBGRQJWJF-JTQLQIEISA-N 318.333 -0.009 30 20 DBED CN(C)CCn1cc(Nc2[nH]c(=O)n(C)c(=O)c2C#N)cn1 1364559707 KYDMMWCBSQYZQJ-UHFFFAOYSA-N 303.326 -0.553 30 20 DBED C[C@H]1CC[C@H](CNC(=O)NCCn2cc(C#N)c(O)nc2=O)O1 1365396979 HINOMVWOTWXNOC-GXSJLCMTSA-N 321.337 -0.313 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H](CNC(=O)Cn2cnnn2)C1 1372647021 LOGXNMKFVNWRBB-WDEREUQCSA-N 305.342 -0.812 30 20 DBED COc1ncnc(OC)c1C(=O)NC[C@@H](C)NC(=O)[C@@H](C)C#N 1377274732 JIOXEKVZUMCASA-DTWKUNHWSA-N 321.337 -0.112 30 20 DBED C[C@H](C#N)C(=O)NCCN(C)C(=O)CCC(=O)N1CCOCC1 1387079754 GPULCMAPPLTMOY-GFCCVEGCSA-N 324.381 -0.640 30 20 DBED COCCn1ccc(C(=O)N2CC(NC(=O)[C@@H](C)C#N)C2)n1 1387801195 PCFNVBGOMXAXSA-JTQLQIEISA-N 305.338 -0.370 30 20 DBED Cc1nc(CC(=O)NC[C@@H](C)NC(=O)c2c[nH]c(C#N)c2)n[nH]1 1389159678 KEEPSLRKOCXVRJ-MRVPVSSYSA-N 315.337 -0.210 30 20 DBED CCC[C@@H](NC(N)=O)C(=O)N(C)CCN(C)C(=O)[C@H](C)C#N 1391872246 FXODCQJXIFYYQQ-GHMZBOCLSA-N 311.386 -0.100 30 20 DBED CNC(=O)NCCC(=O)NCC1CCN(C(=O)[C@H](C)C#N)CC1 1396858534 FCRDXEGZFZFSNW-LLVKDONJSA-N 323.397 -0.180 30 20 DBED C[C@H](NC(N)=O)C(=O)NC1(CNC(=O)[C@H](C)C#N)CCCC1 1399134641 PNHRYBXSRZXZAC-ZJUUUORDSA-N 309.370 -0.252 30 20 DBED CN(CCNC(=O)CCn1cnnn1)C(=O)c1c[nH]c(C#N)c1 1408664896 UQLLMDXABUNTGC-UHFFFAOYSA-N 316.325 -0.849 30 20 DBED C[C@@H](CNC(=O)c1cnc(N(C)C)cn1)NC(=O)[C@H](C)C#N 1416938998 CUNXCSPTBGIUBZ-ZJUUUORDSA-N 304.354 -0.063 30 20 DBED CN(C)S(=O)(=O)CCS(=O)(=O)NCC(C)(C)CC#N 1424199762 VGLXXGAYYANOHM-UHFFFAOYSA-N 311.429 -0.263 30 20 DBED COc1cc(C(=O)N(C)C[C@@H](O)CNC(=O)[C@@H](C)C#N)nn1C 1425838627 QWPAIBHXMBVWGG-UWVGGRQHSA-N 323.353 -0.863 30 20 DBED C[C@@H](C#N)C(=O)NC[C@](C)(NC(=O)c1ncn(C)n1)C1CC1 1451256606 HPCVPJNAULWJPS-XPTSAGLGSA-N 304.354 -0.011 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1ccnc2ccnn12 1457993968 HRSWHBQNNWBLIE-NXEZZACHSA-N 316.321 -0.904 30 20 DBED N#Cc1ccc(NCC(=O)N2CCOC[C@H]2CC(N)=O)nc1 1469098234 XQDUWKIHNHKZFH-LLVKDONJSA-N 303.322 -0.532 30 20 DBED C=C(Cl)CN(C)C[C@@H](C)NC(=O)[C@@H]1CC(=O)NC(=O)N1 1483391604 PPYUIPCONYSJEW-BDAKNGLRSA-N 302.762 -0.227 30 20 DBED CNC(=O)[C@H](C#N)C(=O)c1ccc(OCC(N)=O)c(OC)c1 1516657873 KJTWIWQYDBDLCJ-SECBINFHSA-N 305.290 -0.372 30 20 DBED COCc1nnc2n1CCN(C(=O)C#CC1CCNCC1)C2 1579107584 SMZWVBZGVMODQV-UHFFFAOYSA-N 303.366 -0.230 30 20 DBED COc1cc(CS(=O)(=O)N[C@@H]2CNC[C@H]2C#N)sn1 1579153897 OJYRTSZEIHSFLC-VXNVDRBHSA-N 302.381 -0.317 30 20 DBED N#CCC1(CS(=O)(=O)N2CC[C@H](N3CCNCC3)C2)CC1 1580047610 MLZRRRXROWNLRD-ZDUSSCGKSA-N 312.439 -0.010 30 20 DBED C#CC1(O)CN(C(=O)[C@@H](C)Oc2ccccc2-c2nn[nH]n2)C1 1588333588 XXSXJBLBFKVWPI-SNVBAGLBSA-N 313.317 -0.160 30 20 DBED C#CCN(CC(=O)O)C(=O)CCCN1C(=O)NC(C)(C)C1=O 1588402211 OUTBKEORRHZLQV-UHFFFAOYSA-N 309.322 -0.357 30 20 DBED C#CCN(CC(=O)O)c1nnc([C@H]2CCC(=O)NC2)n1CC=C 1588426737 ANHJPOPARKYZEA-NSHDSACASA-N 317.349 -0.018 30 20 DBED C=CCCC(=O)NCCn1cc(-c2nn[nH]n2)c(O)nc1=O 1588572471 KPIYSIWGKDEPBD-UHFFFAOYSA-N 305.298 -0.789 30 20 DBED C=CCN(C(=O)C(=O)N1C[C@@H](C(=O)O)[C@H](C(=O)OC)C1)C1CC1 1588820068 PEPVTIWZLLUFCV-GHMZBOCLSA-N 324.333 -0.504 30 20 DBED COc1cc(-c2nn[nH]n2)ccc1OCC(=O)N[C@H](C#N)CO 1591497529 CNUPGTAMSQNQIH-SECBINFHSA-N 318.293 -0.745 30 20 DBED N#CCNC(=O)COC(=O)c1cc(O)cc(-c2nn[nH]n2)c1 1592678458 XNAMLSMANYBRHX-UHFFFAOYSA-N 302.250 -0.631 30 20 DBED N#Cc1ncc(N2C[C@H](O)CC(F)(F)C2)nc1-c1nn[nH]n1 1592708282 GCOLOHAQIDCORG-ZCFIWIBFSA-N 308.252 -0.265 30 20 DBED N#CCCN1CCN(C(=O)Cn2cccc(C(=O)O)c2=O)CC1 1601067946 WHUUUBKGVOOXBK-UHFFFAOYSA-N 318.333 -0.396 30 20 DBED C[C@H](NC(=O)N1CC[C@](O)(CC#N)C1)[C@H]1CN(C)CCN1C 1649312387 OWEOBVGUIPMGHH-GZBFAFLISA-N 309.414 -0.319 30 20 DBED C=CCN1CC[C@@H](N(C)CCNC(=O)Cc2cnn(C)c2)C1=O 1753045632 YJFXICMUFHPJSM-CQSZACIVSA-N 319.409 -0.203 30 20 DBED C=CCN(C)C[C@@H]1CCN(C(=O)CNC(=O)CNC(C)=O)C1 1753350704 PGNOARDVOFJQIU-ZDUSSCGKSA-N 310.398 -0.795 30 20 DBED COCC#CCN(C)C[C@@H]1CCN(C(=O)[C@H]2CN(C)C(=O)N2)C1 1753352185 KDYKEECWJDMRTH-UONOGXRCSA-N 322.409 -0.560 30 20 DBED CC(C)(C)n1cnc(C(=O)NC2CN(CC(=O)NCC#N)C2)n1 1753387420 WAXDAVMDKXSPRU-UHFFFAOYSA-N 319.369 -0.913 30 20 DBED Cc1nc(O)nc(O)c1CC(=O)NC[C@@H]1CN(CC#N)CCO1 1753653425 BBLLNKHHNBCWFI-SNVBAGLBSA-N 321.337 -0.921 30 20 DBED C=CCn1cc(C(=O)NC[C@H](O)CNCc2cc(C)no2)nn1 1753929443 CHCHISMNKZAUAI-LLVKDONJSA-N 320.353 -0.359 30 20 DBED C=CCn1cc(C(=O)NC[C@@H](O)CNCc2cc(C)no2)nn1 1753929444 CHCHISMNKZAUAI-NSHDSACASA-N 320.353 -0.359 30 20 DBED C=CCNC(=O)CNC/C=C/CNC(=O)c1ccc(C)nn1 1754119153 IFMVZRPTSQNKKU-SNAWJCMRSA-N 303.366 -0.037 30 20 DBED C#CCNC(=O)CN1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1nc(C)c[nH]1 1754428994 CEMSRSBMIVLVCI-NTZNESFSSA-N 301.350 -0.730 30 20 DBED C#CCN[C@@H](C)[C@@H]1CCN(C(=O)c2cn(CCOC)nn2)C1 1754789668 BVTFPZINTLXBHJ-QWHCGFSZSA-N 305.382 -0.002 30 20 DBED N#CCNC1(CNC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)CCC1 1754980965 YCCQYFRQGFAOAB-LLVKDONJSA-N 316.365 -0.085 30 20 DBED C#CCNC(=O)CN1CC2(C1)CN(C(=O)[C@@H](C)OCC)CCO2 1755048688 FQCKRKZLJYILFA-CYBMUJFWSA-N 323.393 -0.926 30 20 DBED COCC#CCNCC1(O)CCN(C(=O)Cn2ccnc2)CC1 1755155487 BPSWETRYLUWFLH-UHFFFAOYSA-N 320.393 -0.524 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)C[C@@H](C)NCc1cnnn1C 1755591697 OYTFAEJHAHJVSM-HIFRSBDPSA-N 318.425 -0.151 30 20 DBED CCS(=O)(=O)NCC(=O)N[C@@]12CCC[C@H]1N(CC#N)CC2 1755700859 HINLTWPCHPFRAZ-DGCLKSJQSA-N 314.411 -0.438 30 20 DBED C#CCCN[C@@H]1CN(C(=O)CN2CCC(=O)NC2=O)CC1(C)C 1755763069 ODRRNLQSTHHUIT-GFCCVEGCSA-N 320.393 -0.222 30 20 DBED CN(CCOCCNCCn1cncn1)C(=O)C#CC1CC1 1755873199 PESDQDHEYJTVGV-UHFFFAOYSA-N 305.382 -0.244 30 20 DBED C#CCOCCC(=O)N[C@H](C)[C@H](C)NC(=O)Cn1nccn1 1755969765 KYKXRJKOTGDUMM-NEPJUHHUSA-N 307.354 -0.673 30 20 DBED C#CCNC(=O)CC(=O)N(C)[C@H](C)CNC(=O)[C@@H](OC)C1CC1 1756020654 LMVNFRCKSPETFA-ABAIWWIYSA-N 323.393 -0.486 30 20 DBED CC(C)C#CC(=O)NC[C@H]1C[C@H](NC(=O)CN2CCOCC2)C1 1756247246 OLSXRJPFNPVSMC-SHTZXODSSA-N 321.421 -0.011 30 20 DBED C[C@H](CCCNC(=O)Cn1cnnn1)NC(=O)C#CC1CC1 1756304850 YTEQEZYOSRUNIQ-LLVKDONJSA-N 304.354 -0.512 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](CO)CNC(=O)C1(CC)CCC1 1756543091 LQRYSXILLMSBOZ-LBPRGKRZSA-N 323.393 -0.701 30 20 DBED CC(C)C#CC(=O)N1CC[C@H](NC(=O)CCNC(N)=O)[C@@H]1C 1756561413 GKMKZVFLYXXDIB-RYUDHWBXSA-N 308.382 -0.190 30 20 DBED C=CCOCC(=O)NC[C@H](O)CN(C)C(=O)c1ccsn1 1756670290 WAIWWBTYTFMQQV-JTQLQIEISA-N 313.379 -0.105 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)CN(C)CCC)C[C@@H]1O 1757162784 WOAXHQDTXFQXFZ-OLZOCXBDSA-N 313.398 -0.781 30 20 DBED C=CCOCC(=O)N1CC[C@H](NC(=O)[C@@H](COC)OC)[C@H]1C 1757540889 FMJXRDHBRCKTTN-FRRDWIJNSA-N 314.382 -0.044 30 20 DBED N#CCSCC(=O)N[C@H]1CCN(C(=O)c2cc[nH]c2)C[C@H]1O 1757563110 SSNOIFFMQPPNIV-NWDGAFQWSA-N 322.390 -0.037 30 20 DBED C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)COCCO)C1 1780768534 FACLRPYKFAOKMH-CZUORRHYSA-N 324.377 -0.858 30 20 DBED N#CCC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](N)CN)CC1 1827582272 JFBYDMNPSXZSOH-UONOGXRCSA-N 321.425 -0.194 30 20 DBED C[C@@H](S)C(=O)N1CC2(CCCN2C(=O)c2ncn(C)n2)C1 1842355295 GJBUFTUQRDEQOC-SECBINFHSA-N 309.395 -0.050 30 20 DBED C#CC(=O)N1CCCC12CN(C(=O)[C@H](C)NC(=O)NCC)C2 1845959439 QAKYCXXVOTXJJR-NSHDSACASA-N 306.366 -0.469 30 20 DBED C#CCCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CNC(=O)N(C)C 1847343829 BVHNCHGZMPOTGZ-STQMWFEESA-N 320.393 -0.127 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1CC[C@@](C)(C(=O)O)C1 263503000 UMEWJNIXBNRNFX-GFCCVEGCSA-N 319.383 -0.110 30 20 DBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@@H](O)C1 268919885 QAFSCMKHGVJXGX-CMPLNLGQSA-N 323.374 -0.182 30 20 DBED C=CCS(=O)(=O)CCNC(=O)[C@@H](NC(=O)COC)C(C)C 272827787 HCYXCIMTZPYSLS-LBPRGKRZSA-N 320.411 -0.509 30 20 DBED CC(C)(C#N)CC(=O)N1CCN(C(=O)Cn2cnnn2)CC1 283665077 DTTXSFFTOMNHIK-UHFFFAOYSA-N 305.342 -0.716 30 20 DBED C=CCCOCCNC(=O)NCCn1cc(C(=O)OC)nn1 285235341 CRXBWZCHPVNMOM-UHFFFAOYSA-N 311.342 -0.043 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)C1=O 287333158 DVQBBKXDDCOZRH-LPWJVIDDSA-N 321.377 -0.332 30 20 DBED C#CCN(C)CCCNC(=O)c1cc(S(N)(=O)=O)cn1C 293861686 BGYZVDGBZZFNSY-UHFFFAOYSA-N 312.395 -0.643 30 20 DBED C=CCN(C)C(=O)C(=O)N1CCN(CC(=O)N2CCCC2)CC1 297924805 UGNCHEKURXKCER-UHFFFAOYSA-N 322.409 -0.603 30 20 DBED COC(=O)C[C@@H]1C(=O)NCCN1CC(=O)N[C@](C)(C#N)C(C)C 299269251 IAUCUGKVTBCLCS-IAQYHMDHSA-N 324.381 -0.596 30 20 DBED CC[C@@H](O)CN1CCN(S(=O)(=O)N(C)C[C@@H](C)C#N)CC1 330370338 FCZWHJWTBNEROG-QWHCGFSZSA-N 318.443 -0.289 30 20 DBED O=C(CNC(=O)c1c[nH]c2ccccc2c1=O)NCC#CCO 339186115 ORAUIOZPFQZQHA-UHFFFAOYSA-N 313.313 -0.630 30 20 DBED Cc1c(C(=O)NCCCC#N)cnc2c1c(=O)n(C)c(=O)n2C 342645707 URWJJDKUGIELTI-UHFFFAOYSA-N 315.333 -0.026 30 20 DBED CC(C)(C(=O)NCCn1cnc(C#N)n1)n1cc([N+](=O)[O-])cn1 342888189 PZNVRUCKIHRSBZ-UHFFFAOYSA-N 318.297 -0.194 30 20 DBED CN1C(=O)C(=O)N(CC(=O)N[C@H](C#N)c2ccccc2F)C1=O 349477882 SPTZEGOHXOXECU-SNVBAGLBSA-N 318.264 -0.073 30 20 DBED N#CCc1cccc(C(=O)NCCOCCS(N)(=O)=O)c1 353323593 ZRINBFKUSFHNSK-UHFFFAOYSA-N 311.363 -0.212 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CCO[C@H]2C)CC1 362362448 MSUZWMNIBDWMMK-UONOGXRCSA-N 307.394 -0.305 30 20 DBED C=CCN1CC[C@@H](N2CCC[C@H](C(=O)N3CCNCC3)C2)C1=O 420282588 BRMNYCTUUXHJCC-LSDHHAIUSA-N 320.437 -0.083 30 20 DBED N#C[C@H]1CC[C@@H](NC(=O)C(=O)NCCCN2CCNCC2)C1 424534208 ZDYBSQOXEVSQAE-QWHCGFSZSA-N 307.398 -0.794 30 20 DBED CCN(C[C@@H](C)C#N)C(=O)CNS(=O)(=O)CCCOC 431921050 AULCQMBLWWUVPQ-NSHDSACASA-N 305.400 -0.050 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)C[C@@H](C)COC)CC1 490800050 MOTBBSICXHFHQO-CQSZACIVSA-N 309.410 -0.057 30 20 DBED C#CCN1CCN(C(=O)CN2CC[S@](=O)CC2(C)C)CC1 491164589 CPEQFQQFTAMYFJ-NRFANRHFSA-N 311.451 -0.393 30 20 DBED C#CCN(CC#CC)S(=O)(=O)CCCS(=O)(=O)N(C)C 491816309 RWPRTPZRLQYHIH-UHFFFAOYSA-N 320.436 -0.444 30 20 DBED N#Cc1ncn(CC(=O)N[C@@]2(CO)COc3ccccc3C2)n1 529822584 SQFVKQYYJJYVBJ-HNNXBMFYSA-N 313.317 -0.368 30 20 DBED Cc1cc(NC(=O)C(=O)N2CCN(C)CC2)n(CCC#N)n1 533456462 WUDATBGMTIKJKM-UHFFFAOYSA-N 304.354 -0.182 30 20 DBED CCc1nncn1CCNS(=O)(=O)N(C)C[C@@H](C)C#N 558561607 HETMDLWANASYHP-JTQLQIEISA-N 300.388 -0.234 30 20 DBED CC[C@@H](C(=O)Nc1n[nH]c(CCCNC)c1C#N)C(=O)OC 558937892 QZMAJJDPOCSMHJ-VIFPVBQESA-N 307.354 0.571 30 20 DBED CC[C@@](C)(C#N)NC(=O)c1nc(N)nc(N2CCOCC2)n1 566072546 DKBNKMNPMOUCAH-ZDUSSCGKSA-N 305.342 -0.288 30 20 DBED C=C(C)CS(=O)(=O)NC[C@H]1CCC[C@]12NC(=O)NC2=O 577830123 YUVFYRGCJGWZRD-SKDRFNHKSA-N 301.368 -0.140 30 20 DBED N#CCCN(CCC#N)C(=O)CN1C(=O)[C@H]2CSCN2C1=O 584423412 HPDZYWBJCOOKCO-SNVBAGLBSA-N 321.362 -0.021 30 20 DBED N#CCN1CCC(NC(=O)C(=O)NC[C@@H]2CCCCO2)CC1 585774454 WHKUSPKMOXIMEM-ZDUSSCGKSA-N 308.382 -0.224 30 20 DBED CC(C)NS(=O)(=O)N1CCN(C(=O)NCCCC#N)CC1 596555315 QWOTVXRANLZKCI-UHFFFAOYSA-N 317.415 -0.140 30 20 DBED COc1ncnc(N)c1C=NN=c1nc2[nH][nH]cc-2c(O)n1 747631120 ASCYHFUKIOZHFZ-UHFFFAOYSA-N 301.270 -0.741 30 20 DBED C#CCNS(=O)(=O)N1CCN(C[C@H]2CCCCO2)CC1 761035734 CPIMIIOAFXFABG-CYBMUJFWSA-N 301.412 -0.359 30 20 DBED CCN(CCC#N)C(=O)COC(=O)C1(S(C)(=O)=O)CC1 795873983 YUVFETSVRPPLFH-UHFFFAOYSA-N 302.352 -0.131 30 20 DBED C=C(C)COCCNC(=O)C(=O)N=c1ccnc2n(C)[nH]cc1-2 806941825 JYSJZDBBMSZFCP-UHFFFAOYSA-N 317.349 -0.011 30 20 DBED C#CCn1cc(CNC(=O)c2cc(S(N)(=O)=O)cn2C)cn1 807942051 FVTVUDRBMYKTAY-UHFFFAOYSA-N 321.362 -0.568 30 20 DBED C[C@@](C#N)(CC(=O)O)C(=O)N1CCN(c2nc(N)ns2)CC1 819824641 ZMNNGEWPCOBRKA-LBPRGKRZSA-N 324.366 -0.227 30 20 DBED C#CCNC(=O)CN1CCN(CC[C@@H]2COC(C)(C)O2)CC1 851751375 QXRHWSXCLROZKX-CQSZACIVSA-N 309.410 -0.105 30 20 DBED CN1CCN(C)CC(C(=O)NCCNc2ncccc2C#N)C1 906405216 YNYMVJXYANJQBZ-UHFFFAOYSA-N 316.409 -0.025 30 20 DBED C#CC1(O)CN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)C1 908228693 ICFQDZVLQKPQNF-UHFFFAOYSA-N 308.315 -0.500 30 20 DBED COCCNC(=O)[C@@H](C#N)C(=O)c1cccc(OCC(N)=O)c1 916890450 HPUHOUQSKBJCBJ-LBPRGKRZSA-N 319.317 -0.364 30 20 DBED C#CC[C@H](CO)NC(=O)NCc1cc(=O)n2ccccc2n1 923089974 NIKRWHVYVBBLFV-LLVKDONJSA-N 300.318 -0.122 30 20 DBED C#CC[C@H]1NC(=O)N(CCS(=O)(=O)NC(C)(C)C)C1=O 927364209 NPKMTQQTTQPRRU-SECBINFHSA-N 301.368 -0.352 30 20 DBED CCn1ncc(C(=O)NC[C@H]2CN(C(=O)[C@H](C)C#N)CCO2)n1 944577685 HGCIHSYKPHLASL-MNOVXSKESA-N 320.353 -0.585 30 20 DBED NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H]2CCN2C(=O)C#CC2CC2)O1 952143136 HRPSJFVVBPRFCE-FRRDWIJNSA-N 319.361 -0.850 30 20 DBED CN1CC[C@H](CC(=O)N(C)C2CN(C(=O)C#CC3CC3)C2)C1=O 954537336 ADXBEDZESDSBHE-CYBMUJFWSA-N 317.389 -0.063 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](CNC(=O)c2nccnc2N)C1 957940618 UJUGGECEMUHYPT-NXEZZACHSA-N 311.773 -0.166 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2cc3c([nH]2)CCOC3)C1 958130662 HQYGZSDOFUUHIK-DOMZBBRYSA-N 303.362 -0.257 30 20 DBED N#CCN1C[C@@H](O)[C@H](CNC(=O)c2ccnc(C3CC3)n2)C1 958449389 UTOYLCMWLFMRMC-DGCLKSJQSA-N 301.350 -0.100 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cc[n+]([O-])cc2)C1 958466424 QSCPWCIELPBFRG-WXHSDQCUSA-N 318.333 -0.877 30 20 DBED C#CCN1C[C@H](CNC(=O)c2cccc(C(=O)NC)n2)[C@@H](O)C1 958630644 JZQOJDHSXSNBCS-FZMZJTMJSA-N 316.361 -0.903 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](CNC(=O)c2ccc(C(N)=O)cn2)C1 958744117 GLWJXVNTWHGTNW-OCCSQVGLSA-N 318.377 -0.221 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)c2ccnc(F)c2)C1 961817359 HKKJDBWSHBMENM-IEBDPFPHSA-N 306.297 -0.318 30 20 DBED C=C[C@@](C)(CC)C(=O)N1C[C@H](O)[C@H](NC(=O)c2ncn(C)n2)C1 962719829 XCALVNBKHFJRJF-ZETOZRRWSA-N 321.381 -0.281 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1cnnn1 962792873 YDASWCPBGWBTBT-GRYCIOLGSA-N 317.353 -0.575 30 20 DBED C#CCNC1CC2(C1)CC(NC(=O)c1cn(C)c(=O)n1C)C2 965937592 HSRLYAZXDIQQQE-UHFFFAOYSA-N 302.378 -0.012 30 20 DBED Cc1cc(CC(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)n(C)n1 968839040 WZRUEUXVMGCWFY-BIMULSAOSA-N 319.365 -0.881 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)OC)C[C@@H]2O)nc1 969346532 BUMNDYMCTOOMAV-GDLCADMTSA-N 317.345 -0.601 30 20 DBED C#CCN1CCC(C(=O)N[C@H](C)C2CN([C@@H](C)C(N)=O)C2)CC1 970921033 OMQVAMNSDUUOKG-OLZOCXBDSA-N 320.437 -0.358 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@]2(CN(Cc3nnn(C)n3)CCO2)C1 972298108 QHCZCCOAKJKSPI-FZMZJTMJSA-N 319.369 -0.827 30 20 DBED CC#CCN1C[C@H]2[C@H](CNC(=O)[C@H]3CC[C@@H](C(N)=O)O3)[C@H]2C1 978701923 DDAIUXVLLBQRKU-PDWCTOEPSA-N 305.378 -0.663 30 20 DBED C=CCn1cc(C(=O)NCC2[C@@H]3CN(C[C@H](C)O)C[C@@H]23)nn1 978816065 KWRVCKOFPORVMK-DRZSPHRISA-N 305.382 -0.248 30 20 DBED N#CCN1C[C@H]2C[C@H](NC(=O)CN3CCNC(=O)C3)CC[C@H]2C1 980160272 NUQPDGCKOBSPEI-BFHYXJOUSA-N 319.409 -0.842 30 20 DBED C=CCN1CCCN(C(=O)c2cn(C)c(=O)n(C)c2=O)CC1 982070676 UFYSUDYJIHCUGS-UHFFFAOYSA-N 306.366 -0.582 30 20 DBED O=C1NCCC[C@@H]1C(=O)NC[C@H]1CCN(C(=O)C#CC2CC2)C1 982738777 HBTAJXISKVNEIW-KGLIPLIRSA-N 317.389 -0.109 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)[C@@H](C)n2cncn2)C1 990924214 ZZHVLYAGMYADRZ-RTXFEEFZSA-N 319.365 -0.243 30 20 DBED C#CCCN1CCC[C@@H](NC(=O)CN2CCOCC2=O)[C@H]1C 993422020 LHXGZVBRZASNGP-ZIAGYGMSSA-N 307.394 -0.162 30 20 DBED O=C(CC1CS(=O)(=O)C1)NC1CN(C(=O)C#CC2CC2)C1 994974101 WXCKTBYTHOOOND-UHFFFAOYSA-N 310.375 -0.839 30 20 DBED CN1CC[C@H](C(=O)N2CCC[C@@H](NCC#N)C2)S1(=O)=O 1000427774 PVGJOMZGHVKRJD-GHMZBOCLSA-N 300.384 -0.876 30 20 DBED Cn1nnc(CN2CCC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)n1 1007045894 OAFAWBKVANPZMW-LLVKDONJSA-N 314.353 -0.196 30 20 DBED C#Cc1ccc(C(=O)N2C[C@H](NC(=O)C(N)=O)C[C@@H]2C)cn1 1013466939 CFQQZUZXHMKUQF-JOYOIKCWSA-N 300.318 -0.733 30 20 DBED C[C@H]1CC[C@@H](NC(=O)C(N)=O)CN1C(=O)c1c[nH]c(C#N)c1 1018373060 RSHINGPUVUZTOQ-WCBMZHEXSA-N 303.322 -0.519 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 1019363280 QHHQYBKMQUUQMN-QWRGUYRKSA-N 304.350 -0.514 30 20 DBED C#CCN[C@H]1C[C@H](NC(=O)c2cn(C[C@@H]3CCOC3)nn2)C1 1020841460 JXGCAIITDUDDRG-AVGNSLFASA-N 303.366 -0.202 30 20 DBED C#CCN1CCC(C(=O)N[C@H]2C[C@H](N[C@@H](CC)C(N)=O)C2)CC1 1021090297 SGLZDZXJUCQXEL-KKUMJFAQSA-N 320.437 -0.168 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H]2C[C@@H](NCCN3CCNC3=O)C2)c1 1021946987 ZCOIHZDTJJLXEY-TXEJJXNPSA-N 316.365 -0.238 30 20 DBED C=C(C)CN[C@H]1C[C@@H](NC(=O)[C@@H]2CCN(C)S2(=O)=O)C1 1022839518 IWYHRNRJUXXYIA-TUAOUCFPSA-N 301.412 -0.167 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CN(C(=O)c3cnco3)C[C@H]2O)c[nH]1 1023467340 FRJXYDDKDXJJDR-GHMZBOCLSA-N 315.289 -0.510 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCC1CN(Cc2cn(C)nn2)C1 1031740528 FGQNVOLSXSUPAV-HNNXBMFYSA-N 316.409 -0.539 30 20 DBED CC#CCN1C[C@@H]2C[C@H]1CN2C(=O)CCn1ncn(C)c1=O 1032538017 LBYIJUDQGJQOHB-STQMWFEESA-N 303.366 -0.720 30 20 DBED C=CCn1cc(C(=O)N(CC)[C@H]2CCN([C@@H](C)C(N)=O)C2)nn1 1033980165 QBQZJDAMZQFNIZ-RYUDHWBXSA-N 320.397 -0.126 30 20 DBED C=CCN1CC[C@@H](NCCC2CCN(C(=O)C(N)=O)CC2)C1=O 1034566452 GFVPILVDEQLNCC-CYBMUJFWSA-N 322.409 -0.523 30 20 DBED C#CCN[C@H]1CCN(C(=O)Cn2ccc(O)nc2=O)C[C@H]1C 1036097790 DDFPJYSHLDWCNN-NEPJUHHUSA-N 304.350 -0.591 30 20 DBED CC[C@@H]1CN(C(=O)Cn2ccc(O)nc2=O)CC[C@@H]1NCC#N 1037877431 QFEGYXTUOMGVRO-NEPJUHHUSA-N 319.365 -0.311 30 20 DBED N#CCN1CC[C@@H]1CNC(=O)c1cn(C[C@H]2CCOC2)nn1 1038870817 XWNOMDAGJVCGKI-VXGBXAGGSA-N 304.354 -0.358 30 20 DBED Cc1cc(C(=O)NC[C@@]2(O)CCN(C(=O)[C@H](C)C#N)C2)cnn1 1039562586 XFUNYYMSGFCARI-BMIGLBTASA-N 317.349 -0.362 30 20 DBED C=CCCC(=O)N1CC[C@@](O)(CNC(=O)c2cnnn2CC)C1 1039642361 JBQSCLGLERNIEX-OAHLLOKOSA-N 321.381 -0.043 30 20 DBED Cc1nc[nH]c1C(=O)NC[C@]1(O)CCN(C(=O)[C@@H](C)C#N)C1 1040276547 YMTPLRJXBFCYCW-LKFCYVNXSA-N 305.338 -0.429 30 20 DBED N#Cc1nccc(N2C[C@@H](O)[C@H](NC(=O)c3cncnc3)C2)n1 1040995906 RFTWXQQHCPABAB-GHMZBOCLSA-N 311.305 -0.882 30 20 DBED Cc1c[nH]nc1C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1O 1041004532 NVCCHTANJMEMFX-GHMZBOCLSA-N 313.321 -0.641 30 20 DBED N#Cc1nccnc1N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC2(F)F)C1 1041012919 XIIZRNHBLPUSLY-FXBDTBDDSA-N 309.276 -0.331 30 20 DBED C#CCN1CC[C@H]2CCN(C(=O)CN3CCCNC3=O)C[C@H]21 1042137026 YIXKAAMTNGPMCC-UONOGXRCSA-N 304.394 -0.042 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)Cc2cncn2C)C1 1042937341 CYOKBKGDXVFZLY-UHFFFAOYSA-N 318.377 -0.689 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2ccc[nH]2)C1 1043035690 BAUAGDGLXMLKAH-NSHDSACASA-N 305.334 -0.644 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)CCOCC)C1 1043040187 PBMZMZOMMCKURA-GFCCVEGCSA-N 312.366 -0.859 30 20 DBED CO[C@H]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1043628295 VXBYYZACGDOVGD-KGLIPLIRSA-N 320.389 -0.096 30 20 DBED C=CCCCC(=O)N1CC(O)(CNC(=O)[C@@H](C)CC(N)=O)C1 1044418005 HQFIJICXPGYUSW-NSHDSACASA-N 311.382 -0.456 30 20 DBED N#CCN1CC[C@@H](N2CCN(C(=O)Cc3ccon3)CC2)C1 1046012258 MMPLKVNNHRSQGP-CQSZACIVSA-N 303.366 -0.041 30 20 DBED C=C1CC(C)(C(=O)NCC2(O)CN(C(=O)c3ncn(C)n3)C2)C1 1046306370 GBPWITJTDPLQST-UHFFFAOYSA-N 319.365 -0.526 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(C(N)=O)n2)C1 1047643984 XZTMJOPQTDSPIU-KBPBESRZSA-N 316.361 -0.679 30 20 DBED C#CCO[C@H](C)C(=O)N(C)[C@H]1CN(C(=O)CSC)C[C@@H]1O 1048844016 CIPQJEMTAVNCJS-WOPDTQHZSA-N 314.407 -0.582 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[C@@H]2C)C1 1049219709 AVDYJDFUCXUIDD-NDKCEZKHSA-N 308.378 -0.289 30 20 DBED CC#CCN1CCOC[C@H]1CNC(=O)c1coc(C(N)=O)c1 1051040965 RUWKMAFEZFXJPJ-GFCCVEGCSA-N 305.334 -0.168 30 20 DBED N#CCN1CCOC[C@H]1CNC(=O)[C@H]1CCCCN1C(N)=O 1051201784 UTKAUICOPGKXMR-VXGBXAGGSA-N 309.370 -0.740 30 20 DBED C#CCN1CCC(C(=O)NC[C@H]2COCCN2CC#N)CC1 1051254591 KGTIHZGPLXJKMO-HNNXBMFYSA-N 304.394 -0.328 30 20 DBED Cn1cc(CC(=O)N2CC[C@H](N3CCN(CC#N)CC3)C2)cn1 1051992645 DXDPKBHASFDNOR-HNNXBMFYSA-N 316.409 -0.295 30 20 DBED CN1C(=O)CC[C@H]1C(=O)N1CC[C@H](N2CCN(CC#N)CC2)C1 1052067033 CTDDNWVKDCHSSA-KBPBESRZSA-N 319.409 -0.651 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2cnnn2C)C[C@@H]1C 1052487971 FAIAGBBGICOMDA-RYUDHWBXSA-N 321.381 -0.158 30 20 DBED CC1(C)NC(=O)N(CC(=O)N[C@@H]2CCCN(CC#N)CC2)C1=O 1052914885 WVZOLEZLNGODOV-LLVKDONJSA-N 321.381 -0.189 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)[C@@H](C)n3cncn3)CO2)C1 1053782095 DZNVSJWKWUYDIS-OLZOCXBDSA-N 303.366 -0.178 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)c3cc(C(N)=O)co3)CO2)C1 1053923202 PZXLZMCSVBDTBT-LBPRGKRZSA-N 317.345 -0.025 30 20 DBED C=CCOCC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C[C@@H]2C1 1055250966 QUTPBDIGSVVOFD-LRDNVRMFSA-N 320.389 -0.002 30 20 DBED N#Cc1cnc(N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)Cc2nc[nH]n2)cn1 1055384915 CLIKMWLMRUQPAX-UTUOFQBUSA-N 324.348 -0.065 30 20 DBED C=CCCC(=O)N[C@]1(CO)CCCN(C(=O)c2cn(C)nn2)C1 1055824597 XOADPHRPVRGZFI-OAHLLOKOSA-N 321.381 -0.135 30 20 DBED CC(C)C#CC(=O)N1CCC[C@@](CO)(NC(=O)c2nc[nH]n2)C1 1056045292 CZJOFRBUIMFDBZ-OAHLLOKOSA-N 319.365 -0.453 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)C1=COCCO1 1056877471 VWEYMYHJGWSDEF-UHFFFAOYSA-N 314.338 -0.986 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)[C@@H](C)n1cccn1 1057193121 AHOVCOZOLUWXHV-CYBMUJFWSA-N 324.381 -0.416 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)c1cnnc(C)c1 1057433360 NIQJOIJISWTQER-UHFFFAOYSA-N 322.365 -0.462 30 20 DBED COc1nc(C(=O)NCCN(CCO)C(=O)C#CC(C)C)co1 1057525317 OYTCIVOODRLYTI-UHFFFAOYSA-N 323.349 -0.107 30 20 DBED N#Cc1nc(=N[C@H]2CCCN(C(=O)[C@H]3COC(=O)N3)C2)cc[nH]1 1057630925 GWQYXEZKVIDGOH-VHSXEESVSA-N 316.321 -0.719 30 20 DBED C=CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)c1cncn1C 1057922770 FFNHJNWVMKXRQY-LBPRGKRZSA-N 324.381 -0.438 30 20 DBED Cc1cc(C#N)nc(N2CC[C@@H](NC(=O)c3nnn(C)n3)C2)n1 1058516475 MPFAEBADHOZWJO-SECBINFHSA-N 313.325 -0.811 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)c1cnn2c1CCC2 1058660822 JAUKFVZQIFYHEO-LLVKDONJSA-N 319.365 -0.460 30 20 DBED C=C[C@](C)(CC)C(=O)N(CCO)CCNC(=O)Cc1nc[nH]n1 1058731204 VNLRPSGQOOLSFF-OAHLLOKOSA-N 323.397 -0.113 30 20 DBED NC(=O)NCC(=O)N1CC[C@H](CCNC(=O)C#CC2CC2)C1 1059117032 JRSKHKQOUQYPSE-LBPRGKRZSA-N 306.366 -0.577 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](CCNC(=O)Cn2cnnc2O)C1 1060288489 AFOAQAXMPVDNDF-GHMZBOCLSA-N 320.353 -0.502 30 20 DBED N#Cc1cncc(NC[C@@H]2CCN(C(=O)[C@H]3CNC(=O)N3)C2)n1 1060972074 CJIMZOUABXCPFF-GXSJLCMTSA-N 315.337 -0.710 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)CCn1cccn1 1061313943 PRRMGGNGPZYPIM-QWHCGFSZSA-N 319.365 -0.224 30 20 DBED C=CCCO[C@@H](C)C(=O)NC[C@H]1COCCN1C(=O)COC 1061393619 KMHCQDOJFHXXDZ-STQMWFEESA-N 314.382 -0.042 30 20 DBED C#CCCCC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1CCNC1=O 1061533920 FZNLTHMPKITSIK-CHWSQXEVSA-N 321.377 -0.730 30 20 DBED CN(C(=O)[C@@H]1CNC(=O)N1)[C@@H]1CCN(c2ncccc2C#N)C1 1063025406 VTGOAJGQQJOSLA-NEPJUHHUSA-N 314.349 -0.328 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)CN2CCCNC2=O)CCC1 1063589937 NLWAMSJNZDJHAX-LLVKDONJSA-N 321.381 -0.284 30 20 DBED C=CCCOCC(=O)NC1(CNC(=O)[C@H]2CCNC2=O)CCC1 1063912230 CPUWFLORONUHOK-LBPRGKRZSA-N 323.393 -0.130 30 20 DBED N#Cc1ccc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)Cn2cncn2)nc1 1064256643 AYWHBQVEYLWIMG-XUJVJEKNSA-N 309.333 -0.062 30 20 DBED CCNC(=O)CC(=O)NC[C@H]1CN(C(=O)C#CC(C)C)CCO1 1065129893 WMLQPEXFVQXRDE-ZDUSSCGKSA-N 323.393 -0.484 30 20 DBED CC(C)N(C)CC(=O)NC[C@H]1CN(C(=O)[C@@H](C)C#N)CCO1 1065559375 CCJZIEJXCFYQID-STQMWFEESA-N 310.398 -0.170 30 20 DBED Cn1ncc(C(=O)N2C[C@@H]3CN(c4ccc(C#N)nn4)C[C@@H]3C2)n1 1066013091 BOTKABVCWUOTHO-PHIMTYICSA-N 324.348 -0.315 30 20 DBED N#Cc1ccc(N2CCOC[C@@H]2CNC(=O)c2nc[nH]n2)cn1 1066494193 DQFTVKAPEBEKJE-LBPRGKRZSA-N 313.321 -0.293 30 20 DBED CN(C[C@H]1CCCN1C(=O)CC(N)=O)c1ccc(C#N)nn1 1067743753 KARQGGNUEQGREN-LLVKDONJSA-N 302.338 -0.349 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CC[C@H](CNC(=O)CCN(C)C)O2)C1 1068624710 RCTTWZHFVXGOHG-QWHCGFSZSA-N 322.409 -0.026 30 20 DBED O=C(C#CC1CC1)N[C@H]1COC2(C1)CN(C(=O)[C@@H]1CCOC1)C2 1068860642 OTLPINFRBBKWIY-ZIAGYGMSSA-N 318.373 -0.078 30 20 DBED C#CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2ccnnc2)C1 1070037348 SKLOPDBYKHUBFY-KGLIPLIRSA-N 311.349 -0.253 30 20 DBED C=CCOCC(=O)N1CCC[C@@H](NC(=O)c2cc(=O)n(C)o2)C1 1070554603 YJBBAIBCXSRKSU-LLVKDONJSA-N 323.349 -0.098 30 20 DBED C[C@@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1NC(=O)C#CC(C)(C)C 1071556775 MFGINVPELUYQPG-NEPJUHHUSA-N 318.381 -0.314 30 20 DBED C=CCOCC(=O)N1C[C@H](C)[C@H](NC(=O)C2(C(N)=O)CC2)C1 1071812794 WBIMCZRZJDQSTH-WDEREUQCSA-N 309.366 -0.582 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)[C@H]2CC(=O)N(CC)C2)C1 1073630459 VULJESUNNXPLKJ-UONOGXRCSA-N 307.394 -0.305 30 20 DBED C#CCCN1CCCO[C@@H](CNC(=O)c2cn(C)c(O)n2)C1 1073755813 KAKXECWESCJXSO-LBPRGKRZSA-N 306.366 -0.030 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)[C@H]2CN(CC)CCO2)C1 1073896290 OTPOWJLYEWGSTQ-HUUCEWRRSA-N 309.410 -0.453 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)CCc3cn(C)nn3)C[C@@H]21 1074418934 BXHMCNOETMPWCQ-GJZGRUSLSA-N 317.393 -0.317 30 20 DBED Cn1cc(CCC(=O)N2CC[C@H]3OCCN(CC#N)[C@@H]3C2)nn1 1074418984 CUTDLPIPXXVVEH-ZIAGYGMSSA-N 318.381 -0.427 30 20 DBED C=C[C@@H](C)[C@@H](C)C(=O)NCC1(O)CCN(C(=O)C(N)=O)CC1 1074703917 WOLCLEZEFGSJRP-GHMZBOCLSA-N 311.382 -0.600 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](NCc2nnn(C)n2)[C@@H]1C 1074899507 DMEGPAPTBMYLHA-RNJOBUHISA-N 320.397 -0.120 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H](C)CCNC(=O)c1cc[n+]([O-])cc1 1075509994 UEMBRMYDIYTNKL-STQMWFEESA-N 319.361 -0.017 30 20 DBED CC(=O)N(C)CC(=O)NCC[C@H](C)NC(=O)CSCC#N 1075680394 PPYGMESULSGJIR-JTQLQIEISA-N 314.411 -0.268 30 20 DBED C[C@@H](CCNC(=O)c1c[nH]c(C(N)=O)c1)NC(=O)[C@H](C)C#N 1076603835 YQOHGYQBVNILAC-BDAKNGLRSA-N 305.338 -0.102 30 20 DBED C=CCCOCC(=O)NCC[C@H](C)NC(=O)[C@@H]1CCNC1=O 1077064827 GMUJFFBOTAXKRK-NWDGAFQWSA-N 311.382 -0.274 30 20 DBED C=CCCC(=O)N[C@@H](C)CCNC(=O)CN1C(=O)CN(C)C1=O 1078583008 SERCTAMEZOOJEN-NSHDSACASA-N 324.381 -0.142 30 20 DBED Cn1cc(C(=O)N[C@@H]2C[C@H](NCC#N)C23CCC3)ncc1=O 1078685167 HUWUZVDZFHKMLY-NWDGAFQWSA-N 301.350 -0.066 30 20 DBED C#CCO[C@H](C)C(=O)N(C)[C@H]1CCCN(C(=O)C(N)=O)CC1 1078962370 ORYPTWOTVGAJLM-NEPJUHHUSA-N 309.366 -0.651 30 20 DBED CCN(C(=O)CNC(=O)C1CC1)C1CN(C(=O)[C@H](C)C#N)C1 1079380731 AHYUSQFYTVGANW-SNVBAGLBSA-N 306.366 -0.268 30 20 DBED C=CCCOCC(=O)N(CC)C1CN(C(=O)CNC(N)=O)C1 1079976491 KGWGMZVKSZIESZ-UHFFFAOYSA-N 312.370 -0.693 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)c2ccc(O)nn2)C[C@H]1O 1081332960 NCHNYRHCNSXNQA-ZYHUDNBSSA-N 320.349 -0.303 30 20 DBED C=CCOCC(=O)N1C[C@H](CNC(=O)c2ocnc2C)[C@@H](O)C1 1081373261 FSEILSQDSVWVFI-RYUDHWBXSA-N 323.349 -0.265 30 20 DBED C=CCN1C[C@@H](NC(=O)C[C@@H]2CCS(=O)(=O)C2)[C@H](OC)C1 1081913387 XUPUIHGYXCSMLP-YNEHKIRRSA-N 316.423 -0.187 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cnc(O)cc1OC 1083195784 NTJZHYMYQAGPTN-GXTWGEPZSA-N 317.345 -0.046 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)c2cc3c(cn2)OCCO3)C1 1083532935 PVVBUJUHCHOGKC-NEPJUHHUSA-N 305.334 -0.186 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)[C@H]2CCc3nncn3CC2)C1 1083653130 WIHKAWSWIWDNMP-MJBXVCDLSA-N 319.409 -0.032 30 20 DBED N#CCN1CC[C@@H]2CN(C(=O)c3cc(=O)n4[nH]cnc4n3)[C@@H]2C1 1084773067 BGCQTGJNYNNNKS-MWLCHTKSSA-N 313.321 -0.913 30 20 DBED C=CCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCN(C)S1(=O)=O 1085868404 OUOZSKNDPNTYAF-NEPJUHHUSA-N 301.412 -0.261 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)CC2CS(=O)(=O)C2)[C@@H](O)C1 1090372047 PFIHVGCZOZTVIW-STQMWFEESA-N 316.423 -0.451 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2cnn3cccnc23)[C@@H](O)C1 1090483443 SFVSLSDPMKHTGB-KGLIPLIRSA-N 313.361 -0.082 30 20 DBED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(N)=O)[C@H](O)C2)c(F)c1 1090533842 KWCOGONNLALGLV-CHWSQXEVSA-N 320.324 -0.766 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2ccc(=O)n(CC)n2)[C@@H](O)C1 1090650750 CWTIACCACGLVSD-YPMHNXCESA-N 304.350 -0.939 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2ccc(N(C)C)nn2)[C@@H](O)C1 1090733937 IJGGBZIUAQOJHT-OCCSQVGLSA-N 317.393 -0.269 30 20 DBED CO[C@@H](C)CC(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1091072710 APYMUKCNIZRBKS-AXFHLTTASA-N 305.338 -0.561 30 20 DBED C[C@@H]1[C@@H](NC(=O)C2(C(N)=O)CC2)CCN1c1cnc(C#N)cn1 1092041731 DEHADJUNDDYFGZ-KOLCDFICSA-N 314.349 -0.303 30 20 DBED CCOCC(=O)N[C@H]1CCN(c2nccnc2C#N)C[C@@H]1O 1092128628 JPDJDVSGAPVKFK-JQWIXIFHSA-N 305.338 -0.559 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)[C@@H]3CCNC3=O)c3nccn32)C1 1092385772 XWKBBFYHWBZJBW-NEPJUHHUSA-N 313.361 -0.776 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)[C@@H]3CCC(=O)N3)c3nccn32)C1 1092409358 OJEWHHRLMLAXMR-WDEREUQCSA-N 314.349 -0.743 30 20 DBED N#Cc1nccnc1N1CCN(C(=O)CCCC(N)=O)CC1 1093161950 HIUYJUFMNGUDOL-UHFFFAOYSA-N 302.338 -0.348 30 20 DBED CC(C)C#CC(=O)NC1[C@H]2CN(c3nccn4nnnc34)C[C@H]12 1093256255 PTBWSTRGZGJPQI-QWRGUYRKSA-N 311.349 -0.271 30 20 DBED CC(C)(C)[C@H](NC(N)=O)C(=O)NCCNc1cnc(C#N)cn1 1093744813 HLKQWYKDNIMFOR-LLVKDONJSA-N 319.369 -0.041 30 20 DBED N#Cc1nccnc1NCCNC(=O)c1cccn2nnnc12 1093897547 ZVCONGDSCCWUAH-UHFFFAOYSA-N 309.293 -0.372 30 20 DBED Cn1ccnc1COCC(=O)NCCN=c1cc[nH]cc1C#N 1093961260 WHOLJLYVJNLYPH-UHFFFAOYSA-N 314.349 -0.146 30 20 DBED N#Cc1c[nH]ccc1=NCCNC(=O)CCCCNC(N)=O 1093988972 FATJCKYGNPCNKN-UHFFFAOYSA-N 304.354 -0.258 30 20 DBED C#CCN1CC(n2cc(CNC(=O)[C@@H]3C[C@H]4C=C[C@H]3O4)nn2)C1 1094301837 GNUQJUJWSYVECK-RBSFLKMASA-N 313.361 -0.272 30 20 DBED C#CCN1CCN(C(=O)c2ccc[nH]2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094606233 MTNKTISQURLOKT-QWHCGFSZSA-N 307.375 -0.429 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)[C@@]3(C)CCCOC3)CC2=O)C1 1094803835 PLPWGVRIDGKSAX-DYVFJYSZSA-N 319.405 -0.162 30 20 DBED N#Cc1ccc(N2CC[C@H](NC(=O)CO[C@H]3CCOC3)C2)nn1 1096439390 GVRRSPDIYDRTBD-STQMWFEESA-N 317.349 -0.151 30 20 DBED C[C@@H](CNC(=O)[C@H]1CN(C)C(=O)N1)Nc1ccc(C#N)cn1 1098214046 VIEAEXITJLZDMO-GXSJLCMTSA-N 302.338 -0.107 30 20 DBED C[C@H](CCNC(=O)C1CS(=O)(=O)C1)Nc1cncc(C#N)n1 1099521249 LZQUPJOMJDKUIM-SECBINFHSA-N 323.378 -0.300 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2ccnc(O)c2)[C@H](O)C1 1099765713 AKQNYYSCBBEUNW-ZIAGYGMSSA-N 319.361 -0.398 30 20 DBED CC1(C(=O)N[C@H]2CCN(CC(=O)NCC#N)C[C@H]2O)CC=CC1 1099979444 UVMAMSRMLWFZCL-QWHCGFSZSA-N 320.393 -0.466 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)N[C@@H]1CCN(CC#N)C[C@H]1O 1100130079 XTEVHCFHBRKBIB-VXGBXAGGSA-N 323.397 -0.675 30 20 DBED CCN(CCNC(=O)[C@@H]1CCN(C)C1=O)c1cnc(C#N)cn1 1100682075 SGAXVDYPUTYBPT-LBPRGKRZSA-N 316.365 -0.231 30 20 DBED CC#CCNC1CC(CNC(=O)COCc2ncnn2C)C1 1100811096 RIOHTYZYFPMESJ-UHFFFAOYSA-N 305.382 -0.161 30 20 DBED CC#CCNC1CC(CNC(=O)[C@H]2COCCN2C(C)=O)C1 1101005037 SCUAJSNEXZNIEL-YMAMQOFZSA-N 307.394 -0.259 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)CC(N)=O)c3nccn32)C1 1101619425 WFJNWNPIFHAKJM-NSHDSACASA-N 301.350 -0.646 30 20 DBED CN(CCNc1ccc(C#N)cn1)C(=O)C[C@H]1CC(=O)NC1=O 1101680581 SXROLKZNNMSPAK-LLVKDONJSA-N 315.333 -0.124 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1CNC(=O)[C@H]1CCOC1 1101794903 FNLBHZIUVVXDCH-FRRDWIJNSA-N 308.382 -0.653 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1CNC(=O)c1cn(C)cn1 1101875870 ODBNOAJOLWCCLD-VXGBXAGGSA-N 318.381 -0.642 30 20 DBED C#CCCN1C[C@@H](C)[C@H](CNC(=O)CCNS(C)(=O)=O)C1 1102017663 MCHPDTPJIRUVFT-CHWSQXEVSA-N 315.439 -0.367 30 20 DBED C=CCN1C[C@@H](C)[C@H](CCNC(=O)CN2CC(=O)NC2=O)C1 1103543953 BLSAYJONQJPCIW-VXGBXAGGSA-N 308.382 -0.202 30 20 DBED Cc1cc(C#N)nc(N2CCC(CCNC(=O)C(N)=O)CC2)n1 1103699416 LNTHMAOMZKRKFD-UHFFFAOYSA-N 316.365 -0.135 30 20 DBED N#Cc1nccnc1N1CCC[C@@H]1CCNC(=O)CNC(N)=O 1103725850 OCSMPGQGIOXYIV-SNVBAGLBSA-N 317.353 -0.508 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)COCCN(C)C 1104039271 NIOGXGBHVUFORY-LBPRGKRZSA-N 320.397 -0.487 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)[C@@]1(C)CCNC1=O 1104199843 IAUJPRWXQGXMRS-BONVTDFDSA-N 316.365 -0.539 30 20 DBED COCC(C)(C)C(=O)N1CC(n2cc(CNCC#N)nn2)C1 1105283674 SHZYCDADXLQWEN-UHFFFAOYSA-N 306.370 -0.053 30 20 DBED C=C(C)CNCc1cn(C2CN(C(=O)[C@H](C)CC(N)=O)C2)nn1 1105300714 BPUFYJTWGPJSRJ-LLVKDONJSA-N 320.397 -0.161 30 20 DBED CNC(=O)CC(=O)N(C)CCN(C)c1nc(C)cc(C#N)n1 1105374693 MNNKFVVZCIXDIA-UHFFFAOYSA-N 304.354 -0.313 30 20 DBED CN(CCN(C)c1nccnc1C#N)C(=O)CCn1ccnn1 1105382130 XWEADNCYQYCSKA-UHFFFAOYSA-N 314.353 -0.075 30 20 DBED CN1C[C@H](C(=O)N(C)CCN(C)c2ccc(C#N)cn2)NC1=O 1105536265 UIPCTRKANKJSGS-GFCCVEGCSA-N 316.365 -0.129 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H](O)CNC(=O)C1CCOCC1 1105700386 FHPYGTQVSJOIDI-ZDUSSCGKSA-N 304.350 -0.309 30 20 DBED CC(=O)N[C@H](C)C(=O)NC[C@H](O)CNc1ncccc1C#N 1105735194 MFURMZOMVPVVBU-BXKDBHETSA-N 305.338 -0.633 30 20 DBED CNC(=O)CCCC(=O)NC[C@@H](O)CNc1cnc(C#N)cn1 1105794625 IFYXYXPOBGHVGT-NSHDSACASA-N 320.353 -0.846 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H](O)CNC(=O)CCc1ncc[nH]1 1105802596 BFNLOJKJPYGCQV-GFCCVEGCSA-N 314.349 -0.380 30 20 DBED Cn1nccc1CC(=O)NC[C@@H](O)CNc1nccnc1C#N 1105806002 OFTARVFMVHPNBH-LLVKDONJSA-N 315.337 -0.787 30 20 DBED Cc1ccc(C(=O)NC[C@H](O)CNc2cncc(C#N)n2)nn1 1105827832 YTOSTPPQUXOECW-LLVKDONJSA-N 313.321 -0.351 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)CCNS(C)(=O)=O)C[C@H]1C 1106204172 IKRDRFPXDVVEHS-CHWSQXEVSA-N 315.439 -0.367 30 20 DBED C[C@@H]1CN(C(=O)c2csnn2)C[C@H]1CNCC(=O)NCC#N 1106491496 NOGIFOKSMGBELV-NXEZZACHSA-N 322.394 -0.524 30 20 DBED N#Cc1ccc(NC/C=C/CNC(=O)[C@@H]2COCCO2)nn1 1107050133 DEKPSGIUECZTNE-ISUDXETCSA-N 303.322 -0.152 30 20 DBED C=CCN1CC(n2cc(CNC(=O)[C@@H](C)CC(N)=O)nn2)C1 1107190862 FWKCPFXBHXWRPY-JTQLQIEISA-N 306.370 -0.552 30 20 DBED N#Cc1cnc(NC/C=C\CNC(=O)C[C@H]2CCNC2=O)cn1 1107375145 NALCNJFJKCBALN-RFMOXSJOSA-N 314.349 -0.041 30 20 DBED C[C@H](CC(N)=O)C(=O)NC/C=C\CN=c1cc[nH]c(C#N)n1 1107449999 BADSXCOVHCSGIP-MXQLGCADSA-N 302.338 -0.634 30 20 DBED CN1CC[C@H](C(=O)NC/C=C/CNc2cnc(C#N)cn2)C1=O 1107460663 YYSHCIYPTQUJAC-QAVQXKDTSA-N 314.349 -0.089 30 20 DBED COC[C@@H](O)CN1CCO[C@@](C)(CNC(=O)C#CC2CC2)C1 1107932333 KHUHFPXCVDFJSG-HOCLYGCPSA-N 310.394 -0.386 30 20 DBED C[C@H](CNc1ncc(C#N)cc1F)NC(=O)Cn1ncnn1 1107943567 TVBGFQJDNWEEQV-MRVPVSSYSA-N 304.289 -0.304 30 20 DBED C[C@H](C(=O)NC[C@]1(C)CN(CC#N)CCO1)N1C(=O)CCC1=O 1107982828 DEJFFHYONVQWGM-IAQYHMDHSA-N 322.365 -0.745 30 20 DBED C=CCOCC(=O)N[C@H]1CC(=O)N(C2CN(CCCF)C2)C1 1108521918 KDMLSIURDYQUBB-LBPRGKRZSA-N 313.373 -0.050 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)CCCCC(N)=O)CC2=O)C1 1108584340 FSGVOBIFPVHEIX-LBPRGKRZSA-N 322.409 -0.381 30 20 DBED CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H](C)C#N 1109080419 UFJAAYFCAQBZOC-WYUUTHIRSA-N 321.381 -0.287 30 20 DBED C[C@@H](CN(C)c1cnc(C#N)cn1)NC(=O)c1nnn(C)n1 1109179203 NIJNXOVAVOIFEQ-QMMMGPOBSA-N 301.314 -0.874 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC 1109268275 YRDPCQJVPQYQHR-CRWXNKLISA-N 307.394 -0.118 30 20 DBED N#Cc1cccnc1NC1(CNC(=O)[C@H]2CNC(=O)N2)CC1 1110324248 FWLFQZRWNQTGAF-SNVBAGLBSA-N 300.322 -0.305 30 20 DBED Cc1nc(N2CC[C@](O)(CNC(=O)CC(N)=O)C2)ccc1C#N 1111053736 KXMVGEWYRYAHFA-HNNXBMFYSA-N 317.349 -0.806 30 20 DBED N#Cc1cccnc1N1CCC[C@@](CO)(NC(=O)CC(N)=O)C1 1111346514 MQJCMZSQYSEWJL-OAHLLOKOSA-N 317.349 -0.724 30 20 DBED CC(=O)CCCC(=O)N(CCO)CCN=c1cc[nH]c(C#N)n1 1111417398 JFBYOWXQQYYEKG-UHFFFAOYSA-N 319.365 -0.238 30 20 DBED CN(C)CCC(=O)N1CCO[C@@H](CN=c2cc[nH]cc2C#N)C1 1111962378 WFUIITNXKFJICE-AWEZNQCLSA-N 317.393 -0.034 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)Cc2cscn2)CC1 1113408999 OSCUQJHBSZGFCF-LBPRGKRZSA-N 320.418 -0.032 30 20 DBED C[C@H](CNC(=O)c1nccnc1N)N(C)c1cncc(C#N)n1 1113525820 GQMGCDBRQWGYRQ-SECBINFHSA-N 312.337 -0.025 30 20 DBED CCC(=O)NCC(=O)NC[C@@H](C)N(C)c1nccnc1C#N 1113536979 FIMAHRMZRJHFPH-SNVBAGLBSA-N 304.354 -0.185 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)Cc2cncn2C)CC1 1113538556 UWEHCOOXCDPASG-ZDUSSCGKSA-N 317.393 -0.755 30 20 DBED C[C@H](CNC(=O)[C@@H]1CCC(=O)NC1)N(C)c1ccnc(C#N)n1 1113961235 ISRMSFIDYVXBNW-GHMZBOCLSA-N 316.365 -0.185 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)CCc3ncc[nH]3)[C@H]2C1 1114206616 NFRMBWFLZYMBFI-ATCWAGBWSA-N 317.393 -0.309 30 20 DBED CNC(=O)CC(=O)N1C[C@H]2CC[C@H]1CN2c1ccnc(C#N)n1 1114388411 VUTOKYPEMAUTIR-MNOVXSKESA-N 314.349 -0.336 30 20 DBED N#CCNC(=O)CN1C[C@@H]2C(NC(=O)C3CC4(CC4)C3)[C@H]2C1 1114819978 YDIZGZRVDWFXOV-RYUDHWBXSA-N 302.378 -0.137 30 20 DBED CS(=O)(=O)C1(C(=O)NC2[C@@H]3CN(CC#N)C[C@@H]23)CCCC1 1114969629 ZKKVTHDZYCKIOZ-GHMZBOCLSA-N 311.407 -0.086 30 20 DBED N#Cc1cnc(NCCCOCCNC(=O)c2nc[nH]n2)cn1 1115417591 SLCVZVSORBQLPK-UHFFFAOYSA-N 316.325 -0.285 30 20 DBED N#CC1(NC(=O)COC(=O)[C@@H]2CCCN(C(N)=O)C2)CCC1 1117286936 WNNYEESJCIWAAS-SNVBAGLBSA-N 308.338 -0.117 30 20 DBED C#CCNC(=O)C1CCN(C(=O)C(=O)NCC2(C)CC2)CC1 1117482494 FSCJNSZQCPQUSC-UHFFFAOYSA-N 305.378 -0.109 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@H](C)c1ncn(C)n1)[C@H]1CCCO1 1117580734 GGNHVWDTVXYQMU-OUAUKWLOSA-N 305.338 -0.711 30 20 DBED CCCNC(=O)CCNC(=O)C(=O)Nc1ccc(C#N)cn1 1117708518 IAZAYMXTEHASEG-UHFFFAOYSA-N 303.322 -0.076 30 20 DBED CC(C)(CNC(=O)C(=O)Nc1ccc(C#N)cn1)S(C)(=O)=O 1117711758 KVODGJGOPKRIKZ-UHFFFAOYSA-N 324.362 -0.169 30 20 DBED C=C[C@H]1CCCCN1C(=O)C(=O)N[C@@H]1CCC(=O)N(C)C1=O 1118181744 GYTRWYPLLJTTJL-WDEREUQCSA-N 307.350 -0.183 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)c2occc2C)CC1 1119113458 QOFFCEQLZBIOCW-UHFFFAOYSA-N 311.363 -0.187 30 20 DBED C[C@@H](CN(C)C(=O)CO[C@H]1CCOC1)N=c1cc[nH]c(C#N)n1 1120111753 YGYQRMOLOXLJOT-RYUDHWBXSA-N 319.365 -0.166 30 20 DBED C#CCCN(CCOC)c1nnc(-c2cn(CCO)nn2)n1C 1121235042 AMCVQBYQRWSDKH-UHFFFAOYSA-N 319.369 -0.458 30 20 DBED N#Cc1cnc(N[C@@H](CO)CNC(=O)C2=CCOCC2)cn1 1121338745 BUZHIRMFFXECEX-GFCCVEGCSA-N 303.322 -0.416 30 20 DBED Cc1nc(N[C@@H](CO)CNC(=O)[C@@H]2CCC(=O)N2)ccc1C#N 1121818815 NLVBSOYKAHDDOW-NEPJUHHUSA-N 317.349 -0.571 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H](CO)N=c1cc[nH]cc1C#N 1122037514 XJEBROIZDCEGRZ-YPMHNXCESA-N 302.334 -0.698 30 20 DBED C=C(C)Cn1c([C@@H]2CC(=O)N(C)C2)nnc1N1CCNC(=O)C1 1122420961 IIZFWBGWTASJLW-LLVKDONJSA-N 318.381 -0.264 30 20 DBED N#Cc1cccnc1N[C@@H](CO)CNC(=O)[C@@H]1CCC(=O)NC1 1122827624 DERIJOALWNWNKF-VXGBXAGGSA-N 317.349 -0.632 30 20 DBED C=CCCC(=O)N(C)C[C@@H](O)CNc1ccc2nnnn2n1 1124163941 NDIHJRLIRLTKNU-JTQLQIEISA-N 305.342 -0.283 30 20 DBED CNC(=O)CC(=O)N(C)C[C@H](O)CNc1nc(C)ccc1C#N 1124257039 PEKCKJAXWJQMGG-GFCCVEGCSA-N 319.365 -0.371 30 20 DBED C[C@H](CC(N)=O)C(=O)N(C)C[C@@H](O)CNc1ccc(C#N)nn1 1124688024 AYZSSDRWXVRASS-KOLCDFICSA-N 320.353 -0.909 30 20 DBED COCCN(CCNC(=O)c1cnon1)c1ccnc(C#N)n1 1126403706 PCEIFEWSWCTWDD-UHFFFAOYSA-N 317.309 -0.386 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)c1ccnc2ccnn12 1129263281 XGDVGCVYWODFKJ-LLVKDONJSA-N 316.365 -0.261 30 20 DBED C=CCOCC(=O)N1C[C@@H](NCCO)[C@H](c2cn(C)cn2)C1 1130542775 JZEGHVZXOZUFMI-GXTWGEPZSA-N 308.382 -0.501 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@@H]2C[C@@H]3CN(CCOC)C[C@]2(C1)O3 1131230150 GJCVKXSKRXYQMA-JYYAWHABSA-N 322.405 -0.027 30 20 DBED C#CCNC(=O)CN1CC[C@@]2(C1)CN(C(=O)C1CC1)C[C@H](C)O2 1131612237 DISTWQPPSLEENZ-SUMWQHHRSA-N 319.405 -0.162 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2cnccn2)CC[C@@H]1C 1131751138 FWHDCMGVWNDZDM-STQMWFEESA-N 315.377 -0.191 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)CSCC#N)CC[C@H]1C 1131826674 RTHWMIYJNHXHRL-OLZOCXBDSA-N 322.434 -0.038 30 20 DBED C#CCNC[C@H]1CN(C(=O)CN2C(=O)CN(C)C2=O)CC[C@H]1C 1133305816 GGJVKPJTCQIDGQ-OLZOCXBDSA-N 320.393 -0.412 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)CNC(=O)CC 1133946040 QBGRWZDMXNUJBX-VXGBXAGGSA-N 310.398 -0.865 30 20 DBED C#Cc1ccc(C(=O)NCCNCC(=O)NC(=O)NCC)nc1 1148370249 PNBNBMJGLHBWBP-UHFFFAOYSA-N 317.349 -0.772 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)c2c(C)nn(C)c2F)C1=O 1149358625 SVMVMAYIOPRBRZ-NSHDSACASA-N 323.372 -0.026 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)C1CCN(C(C)=O)CC1 1150532835 IQDMOWGVFXGQMT-LBPRGKRZSA-N 322.409 -0.911 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)CCN1CCCC1=O 1151385781 HKCHIKFACIDWRM-GFCCVEGCSA-N 310.398 -0.605 30 20 DBED CN(CC#N)C[C@H]1CCCCN1C(=O)CN1C(=O)CNC1=O 1158838134 SOUBGAWQPKNXJA-LLVKDONJSA-N 307.354 -0.625 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1cn(C)c(C)cc1=O 1160473218 NVUSCEDCZUJGAT-UHFFFAOYSA-N 318.377 -0.847 30 20 DBED C#CCN1CC=C(CCNC(=O)c2nnc(O)nc2O)CC1 1160617073 FFTZJUKKOVNIKP-UHFFFAOYSA-N 303.322 -0.332 30 20 DBED COCC1(CNC(=O)[C@@H]2CCNC(=O)C2)CCN(CC#N)CC1 1162203690 MMRWOLQEDFIISE-CYBMUJFWSA-N 322.409 -0.119 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)NCCCNCc1nncn1C 1167685845 YCDZJSXIQNJHCF-CYBMUJFWSA-N 322.413 -0.118 30 20 DBED COCC#CCNCCCNC(=O)Cn1nnnc1C(C)C 1167865213 ZRRXQWAKQSSAKA-UHFFFAOYSA-N 308.386 -0.458 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)NCCCNC(=O)c1cnon1 1168901214 HVNOUJKZBDZBLP-VIFPVBQESA-N 324.341 -0.821 30 20 DBED C=C(Cl)CNCCCNC(=O)c1cc(=O)n2[nH]cnc2n1 1171080328 TYZHVTBQQVRBKN-UHFFFAOYSA-N 310.745 -0.120 30 20 DBED CC#CCN1CCO[C@H]2CCN(C(=O)CC(=O)N(C)C)C[C@H]21 1177106997 LGRKRVLJKGKGTG-KGLIPLIRSA-N 307.394 -0.210 30 20 DBED COCC#CCN[C@H]1CCN(C(=O)[C@H]2CCCC(=O)N2)[C@H]1C 1178957005 HROZYLFFKKHPSG-MELADBBJSA-N 307.394 -0.116 30 20 DBED C=CCCN[C@H]1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)[C@H]1C 1179644437 HIFDMECAOJQJKH-AAEUAGOBSA-N 320.393 -0.147 30 20 DBED O=C(CN[C@@H]1CCN(C(=O)C#CC2CC2)C1)NC1CCOCC1 1182389619 UDXBEKIHOQPPMU-OAHLLOKOSA-N 319.405 -0.115 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@@H](NCCCS(C)(=O)=O)C1 1182472546 DCKPITLTMRUZLT-QWHCGFSZSA-N 316.423 -0.350 30 20 DBED C#CCCNC[C@]1(C)CN(C(=O)CS(=O)(=O)NC)C[C@H]1C 1183448762 JDEWPBVWHJPBLF-TZMCWYRMSA-N 315.439 -0.367 30 20 DBED C#CCNC(=O)CNC[C@H]1CCN(C(=O)c2cn[nH]c2)C[C@H]1C 1183914060 UZZLFNPWXMXTPR-CHWSQXEVSA-N 317.393 -0.153 30 20 DBED C[C@@H]1CN(C(=O)Cn2ccc(O)nc2=O)CC[C@H]1CNCC#N 1184748699 VEMIJXRBYZWUJT-NEPJUHHUSA-N 319.365 -0.453 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2cnc(O)n2C)C1 1184850178 VLFJWZRFQUBESP-WDEREUQCSA-N 321.381 -0.380 30 20 DBED C=CCN1CC[C@H](N[C@@H]2CCN(C(=O)CCN(C)C)C2)C1=O 1185407796 CDKBEFWFOOGPIU-KGLIPLIRSA-N 308.426 -0.085 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2ncccc2OC)C1 1187385320 UYZCLCQNLGRQDG-GFCCVEGCSA-N 316.361 -0.356 30 20 DBED C#CCCN(C)[C@@H]1CCN(C(=O)CN(C)S(C)(=O)=O)C1 1190472282 IDXWANNYDLHWAG-GFCCVEGCSA-N 301.412 -0.566 30 20 DBED N#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2cccc(F)c2)C1 1190810928 AJZHFXNNMILRTM-CHWSQXEVSA-N 320.324 -0.760 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)c2ncoc2C)C1 1191448284 DDEUQZSDWQXBOZ-MVWJERBFSA-N 322.365 -0.551 30 20 DBED C=CCCC(=O)N[C@@H]1CN(CCNS(=O)(=O)CC)C[C@H]1O 1191734961 ZUYPYRLBCYNJQU-VXGBXAGGSA-N 319.427 -0.947 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2cn(CC)nn2)C1 1193121682 GFDPXXICTVDQBI-GFCCVEGCSA-N 320.397 -0.254 30 20 DBED CC#CCN(C)[C@H]1CCN(C(=O)[C@H]2COCCN2C(C)=O)C1 1194126327 YQGGAUPZJUOKPR-LSDHHAIUSA-N 307.394 -0.210 30 20 DBED CCN(C)C(C)(C)C(=O)N[C@@H]1CN(CC#CCOC)C[C@H]1O 1194243654 BKYGPLOYMPMOLE-ZIAGYGMSSA-N 311.426 -0.472 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(NCC(=O)NC[C@@H]2CCOC2)CC1 1199816232 HMCHPPXWDQXFMB-STQMWFEESA-N 322.409 -0.121 30 20 DBED N#Cc1ccc(C(=O)N2CCC(NCC(=O)NC(N)=O)CC2)[nH]1 1200094249 CIHYMWZYNLYCRR-UHFFFAOYSA-N 318.337 -0.725 30 20 DBED C=CCOCC(=O)N1CCCO[C@@H](CNCc2nncn2C)C1 1200108625 FWGVUFCNGSFXDH-ZDUSSCGKSA-N 323.397 -0.275 30 20 DBED CCC(=O)N1CC[C@@H](C(=O)N2CCCO[C@@H](CNCC#N)C2)C1 1201800688 OGTFNRRKXLHFDG-KGLIPLIRSA-N 322.409 -0.024 30 20 DBED C#CCNC(=O)[C@H](C)NC1CCN(C(=O)c2[nH]nnc2C)CC1 1201931873 VVTOAQRGMVQWQD-NSHDSACASA-N 318.381 -0.555 30 20 DBED C#CCNCC1CCN(C(=O)CN(C)CC(=O)NC(C)C)CC1 1205616338 CZMOLMSYRBKXSC-UHFFFAOYSA-N 322.453 -0.096 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C[C@@H](O)Cn2cccn2)C[C@H]1C 1206586238 SKCLDJOMBQCECM-RBSFLKMASA-N 322.409 -0.117 30 20 DBED CC#CCNCC1CCN(C(=O)CS(=O)(=O)N(C)C)CC1 1206903597 KRVMGNXHOSZAPT-UHFFFAOYSA-N 315.439 -0.271 30 20 DBED C=C(C)CNCC1CCN(C(=O)CN2C(=O)CNC2=O)CC1 1206916501 OLWKMEPAMXNEOR-UHFFFAOYSA-N 308.382 -0.058 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN([C@@H](C)C(=O)NC(N)=O)C[C@H]1C 1206939350 AUFYKJJNWZKIOH-GRYCIOLGSA-N 308.382 -0.334 30 20 DBED C=CCNC(=O)NC(=O)CN[C@H]1CCCN(C(=O)C2CC2)C1 1206990169 SDTIWPXKZUOCLJ-LBPRGKRZSA-N 308.382 -0.011 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)[C@@H](C)NC(C)=O)C1 1207178893 SPDGJXYVGLSJQK-YPMHNXCESA-N 310.398 -0.606 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@@H](CC)NC(C)=O)C1 1209745779 VDTLLVJNTGUQTE-ZIAGYGMSSA-N 324.425 -0.216 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)[C@@H]2CC2(C)C)[C@H](OC)C1 1212127689 VPXMBGOBSQLLMR-YNEHKIRRSA-N 307.394 -0.403 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)/C=C(\C)CC)[C@H](OC)C1 1212223079 GGRLBSOSCJXFKH-DXIMFJFMSA-N 307.394 -0.093 30 20 DBED CNC(=O)NC(=O)CN[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1C 1214589781 RHYWBOZXCRKFEM-VXGBXAGGSA-N 322.409 -0.072 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)C(=O)NCC1CC1 1218872363 NVMZGZGTFUMZNK-UONOGXRCSA-N 305.378 -0.553 30 20 DBED CCCc1nc(CN2C[C@H](O)[C@H](NC(=O)[C@@H](C)C#N)C2)no1 1219378866 HDUFWODWQKUNAH-AXFHLTTASA-N 307.354 -0.157 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(C[C@@H]2CCNC(=O)CC2)C[C@@H]1O 1219539266 CQEGJUZDSAEMPV-ZNMIVQPWSA-N 321.421 -0.133 30 20 DBED C=C(C)CCC(=O)N[C@@H]1CN(C[C@@H](O)Cn2cccn2)C[C@@H]1O 1219710750 GZASFKCMNYGXPI-KFWWJZLASA-N 322.409 -0.238 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)CCc2ccncn2)C1 1219722020 NRSAAOWBMYRKKY-CABCVRRESA-N 320.393 -0.227 30 20 DBED C[C@H](NC(N)=O)C(=O)NCCCN(CC#N)Cc1cccnc1 1230741504 RBIODBSIJBPWKU-LBPRGKRZSA-N 318.381 -0.030 30 20 DBED C=CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)c1nccnc1N 1231263682 OTIYCICGCOBUMT-LLVKDONJSA-N 318.381 -0.493 30 20 DBED C#CCC[C@H](O)CNC(=O)C(=O)Nc1ccc(CC(N)=O)cc1 1256561190 ZYQKLKNTPKDADW-ZDUSSCGKSA-N 317.345 -0.457 30 20 DBED C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CCO[C@H](C#N)C1 1257058657 BWCJBRCHUADURH-CHWSQXEVSA-N 308.382 -0.272 30 20 DBED CC(C)CN1CCN(C(=O)C(=O)N2CCO[C@H](C#N)C2)CC1 1261302674 QHGFNYTYIHTEDX-CYBMUJFWSA-N 308.382 -0.462 30 20 DBED C[C@@H](CCNC(=O)C1(N(C)C)CCC1)NCC(=O)NCC#N 1274732036 PBJPDUMEZPTTPW-LBPRGKRZSA-N 309.414 -0.405 30 20 DBED C[C@H](NC(=O)C(=O)Nc1cnn(CC#N)c1)[C@H]1CN(C)CCO1 1319439782 TVSDMOISTGZBMO-CMPLNLGQSA-N 320.353 -0.820 30 20 DBED Cc1cc(Cl)cnc1NC(=O)C(=O)NCC(=O)NCC#N 1324047963 MMDUIORANBYEKI-UHFFFAOYSA-N 309.713 -0.262 30 20 DBED COCC[C@H](NC(=O)C(=O)Nc1ccc(F)c(C#N)c1)C(N)=O 1324383181 RJBDUHQEIJBQSN-NSHDSACASA-N 322.296 -0.358 30 20 DBED C[C@H]1[C@@H](C)N(C(=O)C(=O)N2CC[C@](F)(C#N)C2)CC[S@@]1=O 1325834134 YERXTQYTDSFXHD-WHYFLKSNSA-N 315.370 -0.182 30 20 DBED COCC[C@H](NC(=O)C(=O)Nc1ccc(C#N)cc1F)C(N)=O 1326114007 OCHBXWMVYFONHT-NSHDSACASA-N 322.296 -0.358 30 20 DBED C[C@]1(CCCC(=O)N[C@@H]2CCCN(O)C2=O)NC(=O)NC1=O 1326407579 UACURZBPCMBJRV-AMIZOPFISA-N 312.326 -0.749 30 20 DBED N#C[C@H]1CCCN(C(=O)C(=O)N2CC[C@H](N3CCOC3=O)C2)C1 1335641772 MZBZIDQTQOJPLB-NEPJUHHUSA-N 320.349 -0.198 30 20 DBED C#CCCCCNC(=O)C(=O)N1CCO[C@H](CNC(C)=O)C1 1342364348 NHTCNMBGGFNKCL-CYBMUJFWSA-N 309.366 -0.730 30 20 DBED C#CCNC(=O)CCNC1CCN([C@@H]2CCN(C)C2=O)CC1 1346339389 LPKRHFZMOHNSPK-CQSZACIVSA-N 306.410 -0.589 30 20 DBED C#CC1CCN(C(=O)C(=O)N[C@H](C)CS(=O)(=O)CC)CC1 1349213699 BNLNVTIEADQDNL-LLVKDONJSA-N 314.407 -0.202 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)c2ccccc2)CC1 1352261656 QBIPJMNLFVESCO-UHFFFAOYSA-N 307.375 -0.088 30 20 DBED N#Cc1ccc(C(=O)N2CCOC[C@@H]2c2nn[nH]n2)cc1O 1363205804 ZMGKDVGPHJSELQ-SNVBAGLBSA-N 300.278 -0.009 30 20 DBED C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)NCC1(C#N)CCOCC1 1363698725 VANVOASTJJBTTA-ZYHUDNBSSA-N 309.366 -0.301 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(CC(=O)NC2CCCC2)C1 1368292141 XCSOHZYXQCANIE-NSHDSACASA-N 308.382 -0.632 30 20 DBED COC(=O)NCC(=O)N1CCC[C@H]1CN(C)C(=O)[C@@H](C)C#N 1404040030 KYTAXQJOIIIQRU-QWRGUYRKSA-N 310.354 -0.049 30 20 DBED CC[C@@H]1CO[C@@H](C)CN1C(=O)Cn1cc(C#N)c(O)nc1=O 1411829385 JGUXQBIMTYNKFX-GXSJLCMTSA-N 306.322 -0.154 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](C)NC(=O)Cc1nc2ncccn2n1 1415256731 KTUDHYMZHYBFDG-VHSXEESVSA-N 315.337 -0.553 30 20 DBED C[C@H](CNC(=O)CCN1CCOCC1)CNC(=O)[C@H](C)C#N 1416482422 OXJRKHDSUIMOGC-CHWSQXEVSA-N 310.398 -0.263 30 20 DBED C[C@@H](C#N)C(=O)NCC1CCN(C(=O)[C@H]2COC(=O)N2)CC1 1427596800 ZSMNATOGWLYCAO-GXSJLCMTSA-N 308.338 -0.391 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)CCc1ncccn1 1433330995 KQWIAPXBFVBQGO-WDEREUQCSA-N 305.338 -0.838 30 20 DBED N#Cc1ccc(C(=O)NCCc2nnc3n2CCNC3=O)nc1 1471862481 PECFCZQFIYRKPI-UHFFFAOYSA-N 311.305 -0.739 30 20 DBED C#CCNC(=O)CNC1(CNC(=O)[C@H]2CCCN2C)CCCC1 1482226824 WKMMQIKYLIKTHV-CQSZACIVSA-N 320.437 -0.151 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C1CCN(C[C@H](O)COC)CC1 1490408084 YTVZHOKRDNQDRL-ZFWWWQNUSA-N 312.410 -0.045 30 20 DBED C[C@@H](CN(C)C(=O)CN(C)S(C)(=O)=O)NC(=O)[C@@H](C)C#N 1510605931 FMBQOELRJYPITJ-UWVGGRQHSA-N 318.399 -0.999 30 20 DBED C#CCCN(CCOC)c1nnc(C(N)=O)n1C[C@@H]1CCOC1 1515897654 PUYUZOYCQVDREH-LBPRGKRZSA-N 321.381 -0.110 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CCN(C(=O)CCn2cnnn2)C1 1527257505 MFZKXRKXSUZKCS-GHMZBOCLSA-N 305.342 -0.812 30 20 DBED CCN(CCNC(=O)Cn1cncn1)C(=O)c1ccc(C#N)[nH]1 1529127947 CWFBOKHOIJCPEV-UHFFFAOYSA-N 315.337 -0.244 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)CC2(COC)CC2)C1 1566662370 LLJCPTYKXOJNKF-ZDUSSCGKSA-N 307.394 -0.257 30 20 DBED C=CCNC(=O)CN1CCC[C@@H](NC(=O)CNC(=O)O)[C@H]1C 1573368018 GTIRHJXCEHILOT-GHMZBOCLSA-N 312.370 -0.475 30 20 DBED N#Cc1nc(N2CCO[C@@]3(CCOC3)C2)cnc1-c1nn[nH]n1 1581879572 PXESXTNYTXXCKL-ZDUSSCGKSA-N 314.309 -0.476 30 20 DBED C#CC[C@@H](COC)NC(=O)C(=O)NC1CCC(C(=O)O)CC1 1588393735 JMVRMIHNMSZWGA-MCIGGMRASA-N 310.350 -0.100 30 20 DBED C=CC[C@H](CO)NC(=O)C1(C(=O)O)CCS(=O)(=O)CC1 1588453349 VYPBQHUVEISDGZ-SECBINFHSA-N 305.352 -0.681 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H](CN=c2cc[nH]c(C(=O)O)n2)C1 1589329831 UBHMXIBOPCMGOP-ZJUUUORDSA-N 319.321 -0.604 30 20 DBED C[C@H](CS(=O)(=O)N1CCC(C#CC(=O)O)CC1)C(=O)O 1592789028 AVYHDWASEZNXSA-SECBINFHSA-N 303.336 -0.163 30 20 DBED CCN(CCC#N)S(=O)(=O)NC[C@]1(C(=O)O)CCOC1 1596299897 HVZSDQYXPLPRGW-LLVKDONJSA-N 305.356 -0.452 30 20 DBED Cn1c(N[C@H]2C[C@@H]3C[C@]3(C(=O)O)C2)c(C#N)c(=O)n(C)c1=O 1600921738 JHIUMGLPJDOFAR-KXEKKFMESA-N 304.306 -0.379 30 20 DBED Cn1cc(C(=O)N(CC#N)CCC(=O)O)c(=O)c2cnn(C)c21 1600928808 ILITVJVHPWMRGP-UHFFFAOYSA-N 317.305 -0.288 30 20 DBED C[C@H](C(=O)N1CCC(C#N)CC1)n1cnc(-c2nn[nH]n2)n1 1602994692 CCVMLDYSEJNALR-MRVPVSSYSA-N 301.314 -0.219 30 20 DBED N#Cc1nc(N2CC[C@@H](N3CC=CC3)C2)cnc1-c1nn[nH]n1 1606389131 JULBCBGCUJKHDD-SNVBAGLBSA-N 309.337 -0.021 30 20 DBED CS(=O)(=O)c1ccc(N)c(C(=O)N(CC#N)CC(=O)O)c1 1607381742 VOSGZXPBXZCTRP-UHFFFAOYSA-N 311.319 -0.277 30 20 DBED C=CCNC(=O)C(=O)Nc1ccc(CC(=O)NCC(=O)O)cc1 1609398803 JRXAUCROPZCZKD-UHFFFAOYSA-N 319.317 -0.329 30 20 DBED CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ncncc1C#N 1647235499 JDBGTTDYMBADII-SNVBAGLBSA-N 309.351 -0.912 30 20 DBED C=CCNC(=O)CN[C@H]1C[C@@H](NC(=O)CN2CC[C@H](C)C2)C1 1752767149 XKLCWTSAYZQZDG-MELADBBJSA-N 308.426 -0.133 30 20 DBED C#CCNC(=O)CN[C@@H](C)CNC(=O)[C@H]1CCCCN(C)C1=O 1752913211 IOJVCYJCJHVQJL-QWHCGFSZSA-N 322.409 -0.911 30 20 DBED C=CCNC(=O)CN(CCNC(=O)c1cnccn1)C1CC1 1753151684 JWCYSGSSCWYYOS-UHFFFAOYSA-N 303.366 -0.027 30 20 DBED COCC#CCN1CC(CNC(=O)[C@H](OC)[C@H]2CCOC2)C1 1753407412 IKBAOXPBDAHJQC-LSDHHAIUSA-N 310.394 -0.264 30 20 DBED C=CCNC(=O)[C@@H](C)NC[C@@H](C)CNC(=O)c1cnc(O)n1C 1753625576 JNWPZHQAYCBMPM-GHMZBOCLSA-N 323.397 -0.228 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)C2CCOCC2)C[C@@H]1C 1753751034 LCTLXEXHPUZYLJ-DZGCQCFKSA-N 321.421 -0.011 30 20 DBED C#CCNC(=O)CNC[C@H](O)CNC(=O)C[C@H]1CC=CCC1 1753923249 FRGZVCDIERUDCQ-KBPBESRZSA-N 307.394 -0.451 30 20 DBED C=CCNC(=O)CN1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1cnns1 1754420528 LWQZCCOSBOWUHX-VDDIYKPWSA-N 307.379 -0.357 30 20 DBED C#CCN1CC[C@@H]1CNC(=O)CCCCCS(N)(=O)=O 1754504766 LXGGXGHGYSLYDI-GFCCVEGCSA-N 301.412 -0.341 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(N[C@H]2CCN(CC)C2=O)CC1 1754513479 ACWLMWWBVMIAMM-OLZOCXBDSA-N 307.394 -0.116 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC(N(C)C(=O)CN2CCCC2)C1 1754586173 GLNNISPRTFYUBF-CYBMUJFWSA-N 306.410 -0.637 30 20 DBED C#CCCNC1(CNC(=O)[C@H]2CCNC(=O)C2)CCOCC1 1754738274 QMGCFTDHNCFNLE-ZDUSSCGKSA-N 307.394 -0.209 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@]1(O)CCN(CCn2cncn2)C1 1754748474 JQFNRECESQKWAI-LSDHHAIUSA-N 323.397 -0.842 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC(O)(CNC(=O)/C=C/C(C)(C)C)C1 1754764493 FBVXCCOOMFZXTB-SBDDDAINSA-N 321.421 -0.111 30 20 DBED C#CCNCCN(CCO)C(=O)c1cc(C)c(C(N)=O)cn1 1754891296 GAWUJJGXLRXDJK-UHFFFAOYSA-N 304.350 -0.854 30 20 DBED N#CCNC[C@H]1CN(C(=O)[C@@H]2CCc3ncncc3C2)CCO1 1754999743 DJJBSHDZJNRURH-OCCSQVGLSA-N 315.377 -0.078 30 20 DBED C=CCCCNCC1(O)CCN(C(=O)Cn2cnnn2)CC1 1755147575 PCBFQMOASDZKAG-UHFFFAOYSA-N 308.386 -0.418 30 20 DBED C#CCCNCC1(O)CCN(C(=O)[C@H](C)[C@H]2CCC(=O)N2)CC1 1755153335 XZBPYJTVDQNMHQ-ZIAGYGMSSA-N 321.421 -0.133 30 20 DBED CC(C)C#CC(=O)N[C@H](C)[C@H](C)NCC(=O)N1CCNC(=O)C1 1755253406 KLRBTDSYONYATL-QWHCGFSZSA-N 322.409 -0.913 30 20 DBED C#CCN[C@@H](C)[C@@H]1CN(C(=O)c2nc(C)c(C)[nH]c2=O)CCO1 1755445105 PTHUEFIUGHRIQN-STQMWFEESA-N 318.377 -0.161 30 20 DBED C=CCOCCN[C@@H](C)[C@H]1CN(C(=O)c2nnn(C)n2)CCO1 1755446887 XTMAENZIIKTCBP-NWDGAFQWSA-N 324.385 -0.768 30 20 DBED C#CCNC(=O)CN[C@@H](CO)CNC(=O)c1cccc(CC)n1 1755630365 HYHHVAREHGFCFE-CYBMUJFWSA-N 318.377 -0.926 30 20 DBED CSCC(=O)N1C[C@@H](O)[C@H](NC(=O)CSCC#N)C1 1756980038 ZYVXYKFFSNBUSE-RKDXNWHRSA-N 303.409 -0.706 30 20 DBED N#CCSCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cncnc2)C1 1756998010 PFYSSAYLRGVDBF-GHMZBOCLSA-N 321.362 -0.965 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCNC2=O)C[C@H]1C 1757063754 CACDQPOHLFVBBF-IJLUTSLNSA-N 309.366 -0.712 30 20 DBED CC(C)[C@@H](S)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C(O)O)C2 1793606412 MRSZFSHBTLXPPX-LMLFDSFASA-N 316.423 -0.110 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nccn1C)C2 1800450721 HIPPQQBNIHKLIW-PTEHBNRSSA-N 302.334 -0.744 30 20 DBED N#CCC(=O)N1CCCC12CN(C(=O)CN1C(=O)C=CC1=O)C2 1842623791 DDBGBUNNOANRJF-UHFFFAOYSA-N 316.317 -0.972 30 20 DBED C#CCCCCNC(=O)N1CCN(CC(=O)NCCOC)CC1 154962531 GREUHACBNMOWCT-UHFFFAOYSA-N 324.425 -0.120 30 20 DBED C=CCNC(=O)CNC(=O)[C@H](C)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 271990726 QHPSJFJDTDIHPZ-QJPTWQEYSA-N 321.377 -0.032 30 20 DBED C=CCS(=O)(=O)CCNC(=O)NCC(C)(C)C(=O)NC 272959450 LHOCWHUTTKRVOE-UHFFFAOYSA-N 305.400 -0.341 30 20 DBED N#Cc1ncn(CCNC(=O)N2CCOCC(F)(F)C2)n1 292379624 YIYWKOATYAZTTH-UHFFFAOYSA-N 300.269 -0.173 30 20 DBED C#CCOc1ccccc1NC(=O)C(=O)N1CCOC[C@@H](O)C1 296246229 FLRSRVSPRWRUKR-LBPRGKRZSA-N 318.329 -0.143 30 20 DBED CN1CCO[C@H]2CN(C(=O)Nc3ccn(CCC#N)n3)C[C@@H]21 329970199 UWDSOEGKZFSSRR-RYUDHWBXSA-N 304.354 0.343 30 20 DBED C[C@@H](NS(=O)(=O)N1CCO[C@@H](C#N)C1)C(=O)NC(C)(C)C 336904535 DHKSAKVWRJWHJF-ZJUUUORDSA-N 318.399 -0.652 30 20 DBED CCC(CC)(NS(=O)(=O)N(CCC#N)CCOC)C(N)=O 336926727 WDQKXPNOWICDKR-UHFFFAOYSA-N 320.415 -0.273 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)N[C@H](CO)[C@H]2CCCO2)cc1 344944455 PDFRPRVRFRCYDP-ZIAGYGMSSA-N 317.345 -0.056 30 20 DBED COC(=O)C[C@H](NS(=O)(=O)CCCCC#N)C(=O)OC 344965650 MWMXVEKXUSTHJC-VIFPVBQESA-N 306.340 -0.296 30 20 DBED COC(=O)CN(CC#N)C(=O)c1cnc2ccccn2c1=O 348782640 GZMPIBYULSTNPC-UHFFFAOYSA-N 300.274 -0.167 30 20 DBED C=C(C)COCCNC(=O)N(C)C[C@H](O)CN1CCOCC1 355419604 MXXDMQBDOPDGIM-AWEZNQCLSA-N 315.414 -0.086 30 20 DBED CC(C)(C#N)CNC(=O)N1CCN(C(=O)Cn2cnnn2)CC1 358631305 ZTTQSJLOHRHHCZ-UHFFFAOYSA-N 320.357 -0.923 30 20 DBED N#CCNC(=O)CNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 367813842 IKEHLRAYSLIWMQ-CYBMUJFWSA-N 314.345 -0.209 30 20 DBED COCC(=O)N1CCN(S(=O)(=O)N(C)[C@H](C)CC#N)CC1 407976685 OSLLUAQMONGCGY-LLVKDONJSA-N 318.399 -0.744 30 20 DBED CN1CC[C@@H](CNC(=O)CNc2ccc(C#N)cn2)CC1=O 424949923 DXJHNMPQHQBULG-LLVKDONJSA-N 301.350 0.350 30 20 DBED COCCN(CCC#N)S(=O)(=O)NC[C@H](O)C1CCC1 452040370 AIHAGNOZYWVHAD-LBPRGKRZSA-N 305.400 -0.156 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCC[C@H]2OC)C1=O 452987796 KDUKAGJPTLKVOK-NXEZZACHSA-N 309.322 -0.353 30 20 DBED C#CCNC(=O)C1CCN(C(=O)N[C@@H]2C(=O)NCC[C@H]2C)CC1 491626911 JGMSIERLQPSYOD-YPMHNXCESA-N 320.393 -0.318 30 20 DBED CC(CO)(CO)NC(=O)C(=O)N1CCc2ccc(C#N)cc21 580272511 JNZXXLZJGOITFD-UHFFFAOYSA-N 303.318 -0.693 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N[C@@H](CO)CC2CCC2)CCO1 584845364 UJQPTYKMFZDVSH-VXGBXAGGSA-N 303.384 -0.404 30 20 DBED COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)NC2CCN(CC#N)CC2)C1 591952034 PGGAXJJGYJSDGB-DGCLKSJQSA-N 324.381 -0.460 30 20 DBED Cc1onc(CC(=O)N2CCN(Cc3nc[nH]n3)CC2)c1C#N 593858322 CXJPBEMMRDMPGZ-UHFFFAOYSA-N 315.337 -0.140 30 20 DBED CCCN1CC[C@H](NS(=O)(=O)N2CCO[C@H](C#N)C2)C1 595353327 FKHHTBHYACMZPG-NWDGAFQWSA-N 302.400 -0.471 30 20 DBED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC(=O)NC2=O)CC1 609494202 QUKWAUSMQJXHIL-GFCCVEGCSA-N 321.381 -0.379 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)C2(CN(C)C)CC2)CC1 635156624 MJKRRBDVRZMEGT-UHFFFAOYSA-N 308.426 -0.225 30 20 DBED C=CCn1cc(C(=O)N2CCN(CC(=O)NC(C)C)CC2)nn1 648222745 KYYFCVSDGOKHOV-UHFFFAOYSA-N 320.397 -0.254 30 20 DBED C=C[C@@H]1OCCC[C@H]1NC(=O)NCCOCCS(N)(=O)=O 665107040 IPWWUHWVJBDXMC-MNOVXSKESA-N 321.399 -0.676 30 20 DBED CN(CCNS(C)(=O)=O)S(=O)(=O)c1ccc(C#N)cc1 690927138 PFYFMOZQWXVKDV-UHFFFAOYSA-N 317.392 -0.272 30 20 DBED C#CC[C@H](CO)NS(=O)(=O)N1CCC(C(=O)OC)CC1 717814567 WXOMSSBTGLMSER-LLVKDONJSA-N 304.368 -0.910 30 20 DBED N#CCN(CC(=O)O)C(=O)Cc1ccc(S(N)(=O)=O)cc1 739078336 FJTZCSVUAPNJGB-UHFFFAOYSA-N 311.319 -0.687 30 20 DBED C#CCSCCNC(=O)Nc1ncn(CC(=O)N(C)C)n1 747543978 FRSAVPSCHCSSEM-UHFFFAOYSA-N 310.383 -0.146 30 20 DBED C#CCNC(=O)COC(=O)c1cccc(CS(N)(=O)=O)c1 748968476 JNCIXFOGFUQASM-UHFFFAOYSA-N 310.331 -0.619 30 20 DBED C=CCNC(=O)COC(=O)c1coc(S(=O)(=O)N(C)C)c1 756288112 LZPWMZYUYULADS-UHFFFAOYSA-N 316.335 -0.011 30 20 DBED N#CCCCS(=O)(=O)NC(=O)Cn1ccc([N+](=O)[O-])n1 776118422 NLMJSNAPCIXCNY-UHFFFAOYSA-N 301.284 -0.459 30 20 DBED C=CCS(=O)(=O)CCNC(=O)NCCn1cnnc1CC 783005450 XFVWHKYUCORGED-UHFFFAOYSA-N 315.399 -0.260 30 20 DBED C[C@@H](OC(=O)CN(C)S(C)(=O)=O)C(=O)NC1(C#N)CCC1 787632875 CMPUMQMDKRMRMI-SECBINFHSA-N 317.367 -0.628 30 20 DBED C#CC[C@H](CO)NC(=O)[C@H](C)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 820059922 PSWDNYDTCCBREQ-ZSIRSIGDSA-N 320.345 -0.962 30 20 DBED C[C@@H](OC(=O)[C@@](C)(C#N)CC(=O)O)C(=O)NC(=O)NC1CC1 820161043 LTZHLMKXAXZJCZ-FUXBKTLASA-N 311.294 -0.089 30 20 DBED C#CCNS(=O)(=O)N1CCN(Cc2cccc(C)n2)CC1 828529730 VTUJXOCBOALSBQ-UHFFFAOYSA-N 308.407 -0.025 30 20 DBED CC(C)[C@@H](C#N)N1CCN(C(=O)CN(CC#N)CC(=O)O)CC1 833467500 WRPLXWQTLWDUBD-CYBMUJFWSA-N 321.381 -0.411 30 20 DBED C=CC(C)(C)C(=O)NS(=O)(=O)N1CCN(C(C)=O)CC1 835464240 NSRKOPSEAXBDGQ-UHFFFAOYSA-N 303.384 -0.276 30 20 DBED C=CCC[C@@H](NC(=O)CCn1cc[nH]c(=O)c1=O)C(=O)OCC 837026772 UZPMNGIWYFUXSR-LLVKDONJSA-N 323.349 -0.059 30 20 DBED Cc1cc(C(=O)N[C@@H]2CNC[C@@H]2C#N)c2c(O)nn(C)c2n1 844194959 OGVCBWPDYWENMF-WCBMZHEXSA-N 300.322 -0.176 30 20 DBED C#CCN(C(=O)NC[C@@H](C)C(=O)O)[C@H]1CCS(=O)(=O)C1 848584651 DOUZXTYGFXZOKW-ZJUUUORDSA-N 302.352 -0.461 30 20 DBED C=CCN(CC(=O)OCC)C(=O)C1CN(S(C)(=O)=O)C1 901213685 OOFWFELCIWMOPT-UHFFFAOYSA-N 304.368 -0.545 30 20 DBED C#CCNCC(=O)Nc1ccc(CC(=O)NCC(=O)OC)cc1 912302872 WKTYVZVATXDOQF-UHFFFAOYSA-N 317.345 -0.320 30 20 DBED NC(=O)CCCNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 915288381 LKPWTSZPOYNIBO-UHFFFAOYSA-N 324.362 -0.893 30 20 DBED C#CCN1CCC[C@@H](NC(=O)[C@@H](NC(=O)COC)C(C)C)C1 923576449 IXIZJKBZBHJIOF-HIFRSBDPSA-N 309.410 -0.013 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2COC[C@@H]2C)C1=O 932090160 WMNAFNZYASPLKR-TUAOUCFPSA-N 309.366 -0.617 30 20 DBED C[C@@H](C#N)C(=O)N1CCCN(C(=O)[C@@H]2COCCN2C)CC1 940806193 BGGYHRGWSZYKSZ-STQMWFEESA-N 308.382 -0.462 30 20 DBED N#Cc1ccc(C(=O)NC[C@H]2CCCC[C@H]2NC(=O)C(N)=O)[nH]1 946427796 IXZGYNNVPNEPNP-MWLCHTKSSA-N 317.349 -0.224 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(NC(=O)c2nccnc2N)CC1 948096163 GKDPTTOHXPRRTA-VIFPVBQESA-N 302.338 -0.061 30 20 DBED N#CCN1CCC2(CC1)CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CCO2 949092396 YARVNRLERMXIHX-VXGBXAGGSA-N 308.338 -0.131 30 20 DBED CN(C(=O)c1c[nH]c(C#N)c1)C1CN(C(=O)c2cnn(C)n2)C1 954107000 RDCMXBRQHUMFTD-UHFFFAOYSA-N 313.321 -0.389 30 20 DBED C[C@@H](C#N)C(=O)N1CC(N(C)C(=O)[C@]2(C)CCC(=O)NC2)C1 955060230 DQHXAILINSMAGX-ZUZCIYMTSA-N 306.366 -0.268 30 20 DBED CC#CCN1C[C@H](CNC(=O)c2cccc(C(N)=O)c2)[C@@H](O)C1 958190831 NYFZBBJFHMMQPP-GJZGRUSLSA-N 315.373 -0.169 30 20 DBED C=C(C)CCN1C[C@H]2C(NC(=O)Cn3ncn(C)c3=O)[C@@H]2C1 960650281 SHYYZXZLLUZKIQ-VXGBXAGGSA-N 305.382 -0.406 30 20 DBED C#CCN1C[C@H]2C(NC(=O)C[C@@H]3CCCS(=O)(=O)C3)[C@@H]2C1 962227311 JLLVTLNAXWOJCN-YNEHKIRRSA-N 310.419 -0.119 30 20 DBED C#CCCN1C[C@H]2C(NC(=O)[C@@H]3CN(C(C)=O)CCO3)[C@@H]2C1 962438662 PQGKFCAQBQTOGO-MCIONIFRSA-N 305.378 -0.697 30 20 DBED C=C(Cl)CN1CC([C@@H](C)NC(=O)[C@H]2CCS(=O)(=O)N2)C1 970897666 GFEAEEVPLWXUKJ-MWLCHTKSSA-N 321.830 -0.133 30 20 DBED C#Cc1cncc(C(=O)N[C@H]2C[C@H](NC(=O)c3cnn(C)n3)C2)c1 973452662 BUTLGALZKQIWTN-JOCQHMNTSA-N 324.344 -0.118 30 20 DBED CCn1nnc(C)c1C(=O)N[C@H]1[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]21 976629043 RNKDPLPRMOVMGU-YJQGPUDQSA-N 316.365 -0.047 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]1CN(C)C(=O)c1cnc(O)n1C 978153384 ODFPEZUXIKCYTN-NXEZZACHSA-N 305.338 -0.042 30 20 DBED C[C@@H]1[C@@H](NCC#N)CCN1C(=O)Cn1nc2ccccn2c1=O 986626664 YIXADGNZXIMIJM-NEPJUHHUSA-N 314.349 -0.401 30 20 DBED Cn1c(C(=O)N2CC(NC(=O)c3c[nH]c(C#N)c3)C2)cnc1O 990927685 GBZFYXVDEKQRRM-UHFFFAOYSA-N 314.305 -0.420 30 20 DBED C#Cc1ccc(C(=O)N2CC(NC(=O)[C@@H]3COC(=O)N3)C2)nc1 991115268 GRQRESXKUVLSKW-LBPRGKRZSA-N 314.301 -0.888 30 20 DBED C=CCn1cc(C(=O)NC2CN(C(=O)c3ccn(C)n3)C2)nn1 991677893 ULFODYFBXZZPPO-UHFFFAOYSA-N 315.337 -0.548 30 20 DBED C=CCN1CC[C@@]2(NC(=O)CN3CCNC(=O)C3)CCC[C@@H]12 992083055 DJWCMMUDILKGIT-CJNGLKHVSA-N 306.410 -0.283 30 20 DBED Cc1cc(=O)c(C(=O)NC2CN(C(=O)[C@H](C)C#N)C2)cn1C 994044196 VHSJARQNBCHBAH-SECBINFHSA-N 302.334 -0.206 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)nc1 997086260 AQWQYZTUWXXLSF-DGCLKSJQSA-N 314.301 -0.331 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)C2=COCCO2)C1 999989310 ZLBGUGKNSMIBJJ-NEPJUHHUSA-N 308.334 -0.207 30 20 DBED C[C@H](C#N)C(=O)N1CC(CNC(=O)[C@@H]2CCCCC(=O)N2)C1 1004226425 HKLHYJJITHVIBQ-PWSUYJOCSA-N 306.366 -0.221 30 20 DBED C[C@H](NC(=O)c1cc(=O)n(C)o1)C1CN(C(=O)[C@H](C)C#N)C1 1005986791 GYROITKHTYJSTK-BDAKNGLRSA-N 306.322 -0.285 30 20 DBED C[C@H](NC(=O)c1cn(C)nn1)C1CN(C(=O)C#CC2CC2)C1 1006017777 OAKGQXIYLBVERZ-JTQLQIEISA-N 301.350 -0.195 30 20 DBED N#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCc2nnc(O)n2C1 1017675912 LHRSMDMUWNVHMU-UTUOFQBUSA-N 316.365 -0.255 30 20 DBED C#CCN1[C@H]2CC[C@H]1CN(C(=O)c1coc(S(N)(=O)=O)c1)C2 1029365011 TWEOKLNJDZEICD-RYUDHWBXSA-N 323.374 -0.151 30 20 DBED C=C(C)CN1[C@H]2CC[C@H]1CN(C(=O)[C@H]1CCS(=O)(=O)N1)C2 1029588460 WZDCMXHREGIZCW-RWMBFGLXSA-N 313.423 -0.071 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)c3cncnc3C)C2)C1=O 1030131742 OXSVGUJKRWNBOO-AWEZNQCLSA-N 315.377 -0.014 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)[C@@H]2CCc3cnn(C)c3C2)C1 1035491505 QPADTHWRFVPACE-HIFRSBDPSA-N 316.405 -0.025 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)c2cnn(CCN(C)C)c2)C1 1035539432 JVJMHQDCBMNCSG-HNNXBMFYSA-N 319.409 -0.492 30 20 DBED C#CCN1CCC(C(=O)NC[C@H]2CN(CCO)CCO2)CC1 1035614537 PYXAAZQAXGQYKT-HNNXBMFYSA-N 309.410 -0.859 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)CN3CCOCC3=O)CC[C@@H]21 1036738232 DDPJHSOMFQMESJ-KGLIPLIRSA-N 305.378 -0.599 30 20 DBED CC#CCN1CC[C@H]2CN(C(=O)CN3C(=O)CNC3=O)CC[C@H]21 1036888009 BFPIUTBVKXBSNK-QWHCGFSZSA-N 318.377 -0.516 30 20 DBED Cc1cnn(C)c1C(=O)NC[C@@]1(O)CCN(C(=O)[C@H](C)C#N)C1 1040597127 KRBZQTYFYYMIRS-BMIGLBTASA-N 319.365 -0.419 30 20 DBED Cn1ccc(C(=O)N[C@@H]2CN(c3ccc(C#N)nn3)C[C@H]2O)c1 1040986775 AGEHWTFDVUSWOT-CHWSQXEVSA-N 312.333 -0.334 30 20 DBED C#CCCCCC(=O)N1CC(O)(CNC(=O)c2cc[nH]n2)C1 1041602566 SINQNTZJZWLPNV-UHFFFAOYSA-N 304.350 -0.094 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)C[C@@H]2COC(=O)C2)C1 1041956448 MDJXMHDUIFZURY-NSHDSACASA-N 310.350 -0.405 30 20 DBED Cn1cnn(CC(=O)N2CC[C@@H]3CCN(CC#N)[C@H]3C2)c1=O 1042122102 LRNUBMFQZUOBCF-RYUDHWBXSA-N 304.354 -0.972 30 20 DBED O=C(CC1CCOCC1)NCC1(O)CN(C(=O)C#CC2CC2)C1 1042201136 KMPNJLDUFMYMIN-UHFFFAOYSA-N 320.389 -0.094 30 20 DBED C=CCN1CC[C@@H]2CCN(C(=O)CN3CC(=O)NC3=O)C[C@@H]21 1042271620 DACKZGFQRVCFRD-NEPJUHHUSA-N 306.366 -0.353 30 20 DBED C=CCOCCCC(=O)NCC1(O)CN(C(=O)[C@@H](C)C#N)C1 1042307594 XDEWWEIIQJRILP-LBPRGKRZSA-N 309.366 -0.182 30 20 DBED C[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1NC(=O)c1nnn(C)n1 1042422969 QMTPJJKMYOMJMU-MWLCHTKSSA-N 312.337 -0.269 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)C=C2CCC2)C1 1042493292 ISLLPJQOEGWAGO-UHFFFAOYSA-N 306.362 -0.174 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)c2ccc(C)o2)C1 1043033152 RTXUXNUSSOREOV-UHFFFAOYSA-N 320.345 -0.069 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)[C@@H]2CC23CCC3)C1 1043039443 CMTNZXIFHBVEQH-STQMWFEESA-N 320.389 -0.096 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)[C@@H](F)CC)C1 1043043356 IZIVRRCLDMKBTP-QWRGUYRKSA-N 300.330 -0.538 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2c[nH]cc2C)C1 1043109165 ISGHGXDWCSVVNI-LBPRGKRZSA-N 319.361 -0.335 30 20 DBED C=CCC(CC=C)C(=O)NCC1(O)CN(C(=O)CNC(C)=O)C1 1043187851 WDUIWJIATXEJEQ-UHFFFAOYSA-N 323.393 -0.420 30 20 DBED Cc1cc(C#N)nc(N2C[C@H](O)[C@H](NC(=O)c3ccon3)C2)n1 1043867533 PRTZQNGRCLRUFN-NEPJUHHUSA-N 314.305 -0.376 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)[C@@H]3CCOC3)C2)cn1 1043867569 PWLODDNWOVACND-HONMWMINSA-N 302.334 -0.345 30 20 DBED C#Cc1ccc(C(=O)N(C)C2CN([C@@H](C)C(=O)NC)C2)cn1 1044205550 WXTPQYACQWYDRM-NSHDSACASA-N 300.362 -0.046 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)Cn2cc(C3CC3)nn2)C1 1047406582 HYEROBSBICQREU-GJZGRUSLSA-N 317.393 -0.318 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2cccnc2C(N)=O)C1 1047635524 GNONGGROJVPKHV-STQMWFEESA-N 316.361 -0.679 30 20 DBED CC#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CC(N)=O)C1 1048613238 SMYQIRNPCADMEG-RYUDHWBXSA-N 309.366 -0.915 30 20 DBED C=CCCN1C[C@H]2CN(C(=O)Cn3cnc(C(N)=O)n3)C[C@H]2C1 1048827907 MGRBSORVSHLDCI-TXEJJXNPSA-N 318.381 -0.657 30 20 DBED C#CCN1C[C@H]2CN(C(=O)c3ccc(-n4cnnn4)cn3)C[C@H]2C1 1048957616 KXPHHXIGYZZIBO-BETUJISGSA-N 323.360 -0.306 30 20 DBED C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)CN1CCNC(=O)C1 1049633429 BSEZNMODOZHNKB-KBPBESRZSA-N 306.410 -0.331 30 20 DBED CCC(=O)N1CC[C@@H](C(=O)NC[C@@H]2COCCN2CC#N)C1 1051196419 CDBJRWGRVVCSSO-CHWSQXEVSA-N 308.382 -0.415 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)c1c(OC)ccnc1O 1051210162 CVALGXCMXJBIJV-NSHDSACASA-N 305.334 -0.140 30 20 DBED COCc1noc(CNC[C@@H]2CN(C(=O)[C@H](C)C#N)CCO2)n1 1051494247 GKVKTHNCNZXQOF-GHMZBOCLSA-N 323.353 -0.307 30 20 DBED C[C@H]1CN(C(=O)CNC(N)=O)C[C@H]1CNC(=O)C#CC(C)(C)C 1051933587 GLVBPSAKRLUDPI-NWDGAFQWSA-N 322.409 -0.085 30 20 DBED N#CCN1CCN([C@@H]2CCN(C(=O)C[C@H]3CCNC3=O)C2)CC1 1052036536 OKQPERWFDPJSAH-ZIAGYGMSSA-N 319.409 -0.745 30 20 DBED CC1(C)NC(=O)N(CC(=O)N[C@H]2CCCN(CC#N)CC2)C1=O 1052914886 WVZOLEZLNGODOV-NSHDSACASA-N 321.381 -0.189 30 20 DBED CC(=O)N1CCOC[C@@H]1C(=O)N[C@H]1CCCN(CC#N)CC1 1052946743 COJIPGPORBDFKY-UONOGXRCSA-N 308.382 -0.272 30 20 DBED Cc1nnc(CN2CC3(C2)CN(C(=O)[C@H](C)C#N)CCO3)o1 1053191509 QRNPNYAAYWEYDO-SNVBAGLBSA-N 305.338 -0.049 30 20 DBED Cn1ccnc1CCC(=O)N1CCOC2(CN(CC#N)C2)C1 1053354041 LBKNNJZBZIIWIZ-UHFFFAOYSA-N 303.366 -0.211 30 20 DBED CC#CCN1CC2(CC[C@@H](CNC(=O)[C@@H]3CCCNC3=O)O2)C1 1053614194 SYPVWKHLDUMVJB-UONOGXRCSA-N 319.405 -0.115 30 20 DBED CN1CC[C@H](C(=O)NC[C@H]2CCC3(CN(CC#N)C3)O2)C1=O 1053642753 JJPAHFYAFQLCRK-VXGBXAGGSA-N 306.366 -0.662 30 20 DBED C#CCN1CC2(CC[C@H](CNC(=O)[C@@H]3CCCN3C(C)=O)O2)C1 1053692767 SJTHDGJFZDZEFL-CABCVRRESA-N 319.405 -0.020 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)c3cn(C)c(=O)n3C)CO2)C1 1054018519 DJSYWBIZJHDAFT-LBPRGKRZSA-N 318.377 -0.680 30 20 DBED C#CCCCC(=O)N[C@@]1(CO)CCCN(C(=O)CC(N)=O)C1 1055909995 DZXMQFIEKGWIGD-HNNXBMFYSA-N 309.366 -0.865 30 20 DBED C=CCCCC(=O)NCCN(CCO)C(=O)c1cnnn1C 1057474787 UWMFLZMGVGZJJG-UHFFFAOYSA-N 309.370 -0.278 30 20 DBED C#CCO[C@H](C)C(=O)N(CCO)CCNC(=O)c1cn(C)cn1 1057583582 UJAAMFDNUCFBCU-GFCCVEGCSA-N 322.365 -0.991 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)[C@H]1CO[C@H](C)C1 1057948489 HUMBGZBCNSFKGP-CHWSQXEVSA-N 314.382 -0.449 30 20 DBED COc1nn(C)cc1C(=O)N(CCO)CCNC(=O)[C@H](C)C#N 1058282721 NGIAJIKCMRXBFL-SNVBAGLBSA-N 323.353 -0.861 30 20 DBED CCn1ncc(C(=O)N[C@@H]2CCN(c3cncc(C#N)n3)C2)n1 1058353462 HJXMQTBBFHNKCX-SNVBAGLBSA-N 312.337 -0.032 30 20 DBED N#Cc1nccc(N2CC[C@H]3[C@@H](CCCN3C(=O)C(N)=O)C2)n1 1059540742 XWIAUVLLYWKTOP-QWRGUYRKSA-N 314.349 -0.349 30 20 DBED C=C(C)CCC(=O)NC[C@H]1COCCN1C(=O)Cn1cnnn1 1061628781 FIOPUJRRQCRQSE-LBPRGKRZSA-N 322.369 -0.627 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)Cc1ccon1 1061845888 LVRLWCHZNRSFFN-PWSUYJOCSA-N 306.322 -0.280 30 20 DBED C=CCCOCC(=O)NC1(CNC(=O)c2nnn(C)n2)CCC1 1064050848 MQDQAIQTRMQYSY-UHFFFAOYSA-N 322.369 -0.429 30 20 DBED C=C1CC(C)(C(=O)NC[C@H]2CN(C(=O)CNC(N)=O)CCO2)C1 1064838864 MFIWQFOBCAVKKF-NSHDSACASA-N 324.381 -0.645 30 20 DBED C#CCNC(=O)CC(=O)N1CCO[C@@H](CNC(=O)/C(C)=C\C)C1 1065065628 SVQADICGSGDLNC-XLVZXTRVSA-N 321.377 -0.564 30 20 DBED CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CN(C(=O)C#CC2CC2)CCO1 1065134654 KPDIHFVWJAPACQ-SMDDNHRTSA-N 321.377 -0.732 30 20 DBED Cc1cncn1CC(=O)N1CCO[C@H](CNC(=O)[C@@H](C)C#N)C1 1065350562 HLIHTDKIGFSEIR-WCQYABFASA-N 319.365 -0.305 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CN(C(=O)C23CCN(CC2)C3)CCO1 1065374054 JYJGMPVTTXRWRY-OLZOCXBDSA-N 320.393 -0.415 30 20 DBED CCn1cc(C(=O)N2CCO[C@@H](CNC(=O)[C@H](C)C#N)C2)nn1 1065559673 ALOLYIPDGLWDNW-MNOVXSKESA-N 320.353 -0.585 30 20 DBED C=CCCC(=O)N1CCN([C@H]2CCN(C(=O)C(N)=O)C2)CC1 1065711494 NCUFKLUKMFTFIH-LBPRGKRZSA-N 308.382 -0.817 30 20 DBED CCc1nc(C#N)cc(N2CCC[C@H](NC(=O)C(N)=O)CC2)n1 1066782551 KFNCDPNUIDJNFY-JTQLQIEISA-N 316.365 -0.129 30 20 DBED N#Cc1ccc(N[C@@]2(CO)CCCN(C(=O)C(N)=O)C2)nc1 1066920653 XEHXQYSIUUVUFD-AWEZNQCLSA-N 303.322 -0.796 30 20 DBED N#Cc1ccc(NCC2CC(NC(=O)[C@@H]3CCNC3=O)C2)nn1 1067876752 XDHPSYVOXWNNER-QEWOUOOISA-N 314.349 -0.209 30 20 DBED Cn1nnc(C(=O)NC2CC(CNc3cncc(C#N)n3)C2)n1 1067879163 XAQCWCJKZOUORH-UHFFFAOYSA-N 313.325 -0.508 30 20 DBED C=CCOCC(=O)N1CC2(C[C@@H](NC(=O)c3cc[nH]n3)CO2)C1 1068709845 UKRFFOJLSKOUOZ-LLVKDONJSA-N 320.349 -0.288 30 20 DBED C=CCCC(=O)N[C@@H]1COC2(C1)CN(C(=O)[C@H]1CCC(=O)N1)C2 1068747499 KJBLFYZUCDDDCP-NWDGAFQWSA-N 321.377 -0.283 30 20 DBED CC#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H]2COCCO2)C1 1069898627 SNMMZSRRQCTAKV-HZSPNIEDSA-N 319.365 -0.942 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H]2CCN(C)C2=O)C1 1069997775 VYASYUHQVDCURL-UPJWGTAASA-N 318.381 -0.716 30 20 DBED N#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2ncccc2F)C1 1070062821 FOIZZOFQTBNNPP-NEPJUHHUSA-N 315.312 -0.009 30 20 DBED C#CCN[C@@H]1CN(C(=O)Cc2cc[nH]n2)C[C@H]1c1cncn1C 1070631996 ACOSEOIMWKPHRZ-ZIAGYGMSSA-N 312.377 -0.097 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2COC(=O)N2)C1 1070680252 IJPKNFPALQHVSW-NEPJUHHUSA-N 307.350 -0.139 30 20 DBED C#CCOCCC(=O)N1CCC[C@@H](NC(=O)c2cnn[nH]2)C1 1070725235 AHHOZCQFUABHEH-LLVKDONJSA-N 305.338 -0.435 30 20 DBED CNC(=O)CN1CC[C@@]2(C1)CN(C(=O)C#CC1CC1)C[C@@H](C)O2 1071164521 OXYHTFADAXQIFP-CXAGYDPISA-N 319.405 -0.162 30 20 DBED C[C@H]1CN(C(=O)CN2CCOCC2)C[C@H]1NC(=O)C#CC1CC1 1071919167 XSNFJCVTZFNJQG-DZGCQCFKSA-N 319.405 -0.305 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)Cn2cncn2)C[C@@H]1C 1072773670 UNOUXVGULSRUOV-NWDGAFQWSA-N 307.354 -0.556 30 20 DBED CC(C)C#CC(=O)N1CC[C@@H](NC(=O)CNC(N)=O)[C@@H](C)C1 1073704024 CNSFAOQABLXOKC-NWDGAFQWSA-N 308.382 -0.333 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@@H]3OCCN(CCO)[C@H]3C2)[nH]1 1074219795 WJFVUFKHQHPGMX-KBPBESRZSA-N 304.350 -0.206 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@H]3OCCN(CCO)[C@H]3C2)nc1 1074385032 QBXRZQLVNPEULM-JKSUJKDBSA-N 315.373 -0.030 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(O)(CNC(=O)CSCC#N)CC1 1074703968 YBALXSNUVSSHQW-NSHDSACASA-N 324.406 -0.127 30 20 DBED C#CCOCCC(=O)N1CC[C@H](NC(=O)c2cnn[nH]2)C[C@@H]1C 1075055182 FQMBTZYBVAFDGC-RYUDHWBXSA-N 319.365 -0.046 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)[C@H](C)n2nnnc2C(C)(C)C)C1 1077110460 SKAZAFJHVXEXJU-QJPTWQEYSA-N 322.413 -0.121 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)c2nc3ncc(C)cn3n2)C1 1077200304 JCUKCLPYFHNIHJ-VXGBXAGGSA-N 314.349 -0.769 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3nc(C)[nH]c3C2)C1 1077260698 RNDLJTQIYLSILA-NILFDRSVSA-N 302.378 -0.382 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)Cn2c(C)c(C)sc2=O)C1 1078229802 ZEOXKQGDIMNZPD-VXGBXAGGSA-N 309.391 -0.679 30 20 DBED C=CCOCC(=O)N1CC(N(CC)C(=O)[C@@H](C)NC(C)=O)C1 1079264812 PSLMCIHLWOBEMB-LLVKDONJSA-N 311.382 -0.227 30 20 DBED N#CCSCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cc[nH]n2)C1 1081286331 KDDAVTDYNNCLIU-GXSJLCMTSA-N 323.378 -0.784 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)COC(C)C)C[C@@H]1O 1081344321 ONEGAWIGHHAGIJ-OLZOCXBDSA-N 314.382 -0.451 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)c2nonc2C)C[C@H]1O 1081445150 RLHNPDNPTJJKTK-VXGBXAGGSA-N 320.349 -0.269 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)c2cnccn2)C[C@H]1O 1081460311 FVHFTWKJIUHNLY-GXTWGEPZSA-N 316.361 -0.315 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)c2cocn2)C[C@H]1O 1081464136 WCBLUMKZKLHWIZ-WCQYABFASA-N 305.334 -0.117 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(C(=O)Cc2cnc[nH]2)C[C@@H]1O 1081474888 VLKRKMAUDRTOFX-OCCSQVGLSA-N 316.361 -0.699 30 20 DBED C=CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cc2n(n1)CCO2 1083107212 SWMBSFGURYGLNE-QWHCGFSZSA-N 304.350 -0.013 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cn3c(n2)COCC3)[C@@H](O)C1 1090360021 IOFLNBLHUPUURA-AAEUAGOBSA-N 304.350 -0.789 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2ccnc3[nH]nnc23)[C@@H](O)C1 1090426860 YETFETCGWPDIGD-RYUDHWBXSA-N 314.349 -0.459 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2c(OC)ccnc2O)[C@@H](O)C1 1090731875 XLZIZRRAKHUOCS-NEPJUHHUSA-N 319.361 -0.016 30 20 DBED C#CCCN1CC[C@@H](NC(=O)Cn2nc(C)ccc2=O)[C@H](O)C1 1090745544 BJAJZCOVBNMYKJ-ZIAGYGMSSA-N 318.377 -0.874 30 20 DBED CCc1nc(C#N)cc(NCCNC(=O)[C@H]2CCC(=O)NC2)n1 1094257684 XPVZBDAKQMGQFW-JTQLQIEISA-N 316.365 -0.035 30 20 DBED C=CCN1CC(n2cc(CNC(=O)[C@H]3C[C@@H]3C(=O)OC)nn2)C1 1094279372 JJMYEPHVEOQAHN-STQMWFEESA-N 319.365 -0.254 30 20 DBED N#CCN1CC(N2C[C@@H](NC(=O)Cc3ccoc3)CC2=O)C1 1094732138 XSRSVVUQDDTDCG-LBPRGKRZSA-N 302.334 -0.253 30 20 DBED C#CCN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN1CC(=O)N(C)C1=O)C2 1095038186 ZPLVFTZLDKNUOC-XQQFMLRXSA-N 318.377 -0.517 30 20 DBED Cc1nc(N(C)CCCNC(=O)Cn2ncnn2)ccc1C#N 1095645389 QNHBQTYGNMIAEL-UHFFFAOYSA-N 314.353 -0.109 30 20 DBED N#Cc1cncc(N2CCN(CCNC(=O)C3CC3)CC2)n1 1096261099 ZNHZBOQANZCIFL-UHFFFAOYSA-N 300.366 -0.004 30 20 DBED C=CCCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cn1c(O)nnc1O 1096437595 GXZCCQZOUXKULH-VWYCJHECSA-N 307.354 -0.013 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H]1CCCN(C(=O)CNC(N)=O)C1 1097352601 USARSPXLLDQWND-NSHDSACASA-N 316.365 -0.306 30 20 DBED C[C@@H](CNC(=O)[C@H]1CN(C)C(=O)N1)Nc1ncccc1C#N 1098213810 PZHCCGXVNWTQCZ-GXSJLCMTSA-N 302.338 -0.107 30 20 DBED C[C@@H](CNC(=O)CCc1cnn[nH]1)N=c1cc[nH]c(C#N)n1 1098294728 ZRRKWQFDZBPSAZ-VIFPVBQESA-N 300.326 -0.562 30 20 DBED C#CCN(CCO)C1CCN(C(=O)c2cccn(C)c2=O)CC1 1098536634 QBTHUDHTSKSCAN-UHFFFAOYSA-N 317.389 -0.083 30 20 DBED N#CCN1C[C@H]2[C@@H]3CC[C@@H](CN3C(=O)CCNC(N)=O)[C@H]2C1 1099553851 WBIWMLHLCJCNLL-LOWDOPEQSA-N 305.382 -0.263 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCN(C/C=C/Cl)C[C@H]1O 1099788773 IMKDOJUAQBITEO-WEPHUFDCSA-N 313.785 -0.570 30 20 DBED CN(CCNC(=O)c1ccc2nn[nH]c2n1)c1nccnc1C#N 1100390991 PFMXYCAWGJPYJW-UHFFFAOYSA-N 323.320 -0.119 30 20 DBED CN(CCNC(=O)C[C@@H]1CCCC(=O)N1)c1ccnc(C#N)n1 1100412244 RCQOETRKUULHJK-NSHDSACASA-N 316.365 -0.041 30 20 DBED C=CCNC(=O)[C@@H](C)NC1CC(CNC(=O)c2cnon2)C1 1100773727 QOBUVQWHWWJFIO-KPPDAEKUSA-N 307.354 -0.142 30 20 DBED COCC#CCN1C[C@@H](C)[C@H](CNC(=O)[C@H]2COCCN2C)C1 1101885287 SLARLKMRUZJAIF-BZUAXINKSA-N 323.437 -0.349 30 20 DBED CC#CCN1C[C@@H](C)[C@H](CNC(=O)CN2CCNC(=O)C2)C1 1102218069 RRQHJTKCDJJDDD-ZIAGYGMSSA-N 306.410 -0.874 30 20 DBED CCc1nc(C#N)cc(N[C@@H](CC)CNC(=O)CNC(N)=O)n1 1102965895 MJQGRRUZSHKSJU-VIFPVBQESA-N 319.369 -0.114 30 20 DBED C#CCO[C@@H](C)C(=O)NCC[C@@H]1CN(CC(=O)NC)C[C@H]1C 1102974310 WPJUVLNYMJOPMW-HZSPNIEDSA-N 309.410 -0.155 30 20 DBED CCn1nncc1C(=O)NC[C@@H](C)CN=c1cc[nH]c(C#N)n1 1103931192 NJNHIZFTQNWUGZ-JTQLQIEISA-N 314.353 -0.140 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)C[C@@H]1COC(=O)C1 1103947069 KDXOQMONHCGTSX-QWRGUYRKSA-N 317.349 -0.112 30 20 DBED C#CCNCc1cn(C2CN(C(=O)c3cc(C)nn3C)C2)nn1 1105176204 BZLKWVWOWVEGEE-UHFFFAOYSA-N 313.365 -0.260 30 20 DBED CNC(=O)NCC(=O)NC[C@@H](Nc1nccnc1C#N)C(C)C 1105298471 IXLCLQGNAOQOSZ-LLVKDONJSA-N 319.369 -0.170 30 20 DBED COC[C@H](OC)C(=O)N(C)CCN(C)c1nccnc1C#N 1105562761 RNEZBXGYDPRWPM-LBPRGKRZSA-N 307.354 -0.096 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)C2=COCCO2)cn1 1105715412 SKPHJGIOTWIOML-GFCCVEGCSA-N 304.306 -0.270 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)CCc2ncc[nH]2)nn1 1105802475 ABCBKDSWRFIWDL-NSHDSACASA-N 315.337 -0.407 30 20 DBED CN(C)CC1(C(=O)NC[C@@H](O)CN=c2cc[nH]cc2C#N)CC1 1106100868 ZCGHEOXEYYHPHN-ZDUSSCGKSA-N 317.393 -0.394 30 20 DBED C[C@@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)C[C@H]1CCNC1=O 1106464902 IQFKMGSHOUNHMX-WDEREUQCSA-N 316.365 -0.397 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)C(C)(C)C(N)=O 1106867627 WYLNVZZLHHOQNV-UHFFFAOYSA-N 304.354 -0.458 30 20 DBED N#Cc1nc(=NC/C=C\CNC(=O)[C@H]2CCNC(=O)C2)cc[nH]1 1107122313 RZMKSEHFRVAWKQ-BVBSBALXSA-N 314.349 -0.619 30 20 DBED N#Cc1nc(=NC/C=C\CNC(=O)C[C@@H]2CCC(=O)N2)cc[nH]1 1107246485 JRJGAMKELZIZLC-BVBSBALXSA-N 314.349 -0.477 30 20 DBED COc1cc(C(=O)N[C@H](C)CN=c2cc[nH]c(C#N)n2)nn1C 1108222053 KCXRQVKNECMMKQ-SECBINFHSA-N 315.337 -0.257 30 20 DBED CCn1nnc(C)c1C(=O)N[C@@H](C)CN=c1cc[nH]c(C#N)n1 1108574233 ZZIAOOHLGZQFNH-VIFPVBQESA-N 314.353 -0.080 30 20 DBED CCC(=O)N[C@@H](C)C(=O)N[C@@H](C)CN=c1cc[nH]c(C#N)n1 1108745297 BIWCPLSDIWHOJY-UWVGGRQHSA-N 304.354 -0.399 30 20 DBED Cc1c[nH]nc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1109241350 HSXZSRLVBUYQON-WOPDTQHZSA-N 316.365 -0.307 30 20 DBED C[C@H](CN(C)c1ccc(C#N)nn1)NC(=O)[C@@H]1CC(=O)N(C)C1 1109295623 LMLOBBOIVIZFMD-GHMZBOCLSA-N 316.365 -0.233 30 20 DBED C[C@@]1(NC(=O)Cn2cncn2)CCN(c2cnc(C#N)cn2)C1 1110760579 PXJWKDGBTAQWGQ-CQSZACIVSA-N 312.337 -0.275 30 20 DBED N#Cc1ccc(N2CC[C@](O)(CNC(=O)c3cocn3)C2)nn1 1111039709 NQGOVSPPSXRJEG-AWEZNQCLSA-N 314.305 -0.293 30 20 DBED N#Cc1cnc(N2CC[C@](O)(CNC(=O)C#CC3CC3)C2)cn1 1111070942 NBIMSTHJCMHYLD-INIZCTEOSA-N 311.345 -0.181 30 20 DBED CCOCCC(=O)N1CCO[C@H](CN=c2cc[nH]c(C#N)n2)C1 1111946781 KTHDGJUSKFHYGB-GFCCVEGCSA-N 319.365 -0.164 30 20 DBED C=CCOCC(=O)N1C[C@@H](C)[C@@H](Nc2nccn3nnnc23)C1 1112310130 GVRJOIYQKSZOME-MNOVXSKESA-N 317.353 -0.019 30 20 DBED CC1(C)CN(c2nccnc2C#N)CC[C@H]1NC(=O)CC(N)=O 1112371659 QWEREJRCVVUCQT-LLVKDONJSA-N 316.365 -0.055 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)[C@@H]2CCCOC2)CC1 1112680996 GXOFZRHNNVGJGO-UONOGXRCSA-N 307.394 -0.305 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1O 1112720112 GGVLNWDNIUWVFM-TZMCWYRMSA-N 313.361 -0.079 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)c2n[nH]cc2F)CC1 1113315258 XRLPCBBZVNGKLU-SNVBAGLBSA-N 307.329 -0.556 30 20 DBED C[C@@H](CC(=O)NC[C@@H](C)N(C)c1cnc(C#N)cn1)NC(N)=O 1113719653 IMZMPMZQSSAOLD-VHSXEESVSA-N 319.369 -0.264 30 20 DBED C=CCOCC(=O)NC1[C@@H]2CN([C@@H](C)C(=O)NC(=O)NC)C[C@@H]12 1114050723 HXRDEHMILHKJJK-HBNTYKKESA-N 324.381 -0.921 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@H]2CN(Cc3cscn3)C[C@H]12 1114169881 KUUDNWRFKIWIOY-RYUDHWBXSA-N 318.402 -0.171 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)c3n[nH]cc3C)[C@@H]2C1 1114232135 PKMOURHRQXDDST-GHMZBOCLSA-N 301.350 -0.872 30 20 DBED C=CCCCN1C[C@H]2C(NC(=O)CNS(=O)(=O)CC)[C@@H]2C1 1114363500 DYBJGOIXAKLWPU-VXGBXAGGSA-N 315.439 -0.062 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)Cc3cncs3)[C@@H]2C1 1114432835 FDQAFLLJNSRSQK-VXGBXAGGSA-N 318.402 -0.519 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)[C@@H]3CCN(C)C(=O)C3)[C@H]2C1 1114471315 DHSNJLXJFSUBQO-NYTXWWLZSA-N 319.405 -0.449 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1[C@@H]2CN(CC(=O)NCC)C[C@@H]12 1114859272 OOZMUICUOZUMSO-LPWJVIDDSA-N 307.394 -0.240 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3ccc(OC)o3)[C@H]2C1 1115007093 FCJRCENELFLKRW-HBYGRHMLSA-N 317.345 -0.302 30 20 DBED C=CCCN1C[C@H]2C(NC(=O)CS(=O)(=O)N(C)C)[C@@H]2C1 1115187470 ABJJECBTHOGAHV-GHMZBOCLSA-N 301.412 -0.500 30 20 DBED C#CCCN1C[C@H]2C(NC(=O)CCNC(=O)[C@H]3CCCO3)[C@@H]2C1 1115349531 BLCYEAOFCLAQCS-MGPQQGTHSA-N 319.405 -0.259 30 20 DBED C=C(C)COCCNC(=O)C(=O)N1CC(=O)N[C@@H]2CCCC[C@H]21 1117605969 XONRDJLESPYOIT-CHWSQXEVSA-N 323.393 -0.035 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)NCCOC(C)C 1119136011 XZEDKOUNZOUCKS-UHFFFAOYSA-N 306.384 -0.755 30 20 DBED CC(=O)N[C@@H](C)C(=O)NC[C@H](CO)Nc1ccc(C#N)cn1 1121176888 AJKSQMDOQYFRPT-JOYOIKCWSA-N 305.338 -0.633 30 20 DBED N#Cc1cnc(N[C@@H](CO)CNC(=O)C[C@H]2CCOC2)cn1 1121400174 VHOQAQIUROLXCU-ZYHUDNBSSA-N 305.338 -0.336 30 20 DBED CO[C@H](C(=O)NC[C@H](CO)Nc1nc(C)cc(C#N)n1)C1CC1 1121504808 HMHGBPZNAGDFEQ-OLZOCXBDSA-N 319.365 -0.029 30 20 DBED CCN(CC)CC(=O)NC[C@H](CO)Nc1cnc(C#N)cn1 1121660567 YIXPTAJVYBWEOF-GFCCVEGCSA-N 306.370 -0.421 30 20 DBED C#CCNCC(=O)NCCNS(=O)(=O)Cc1ccccc1 1122110210 AFJGEXKXQHMEOU-UHFFFAOYSA-N 309.391 -0.555 30 20 DBED COCC(C)(C)C(=O)NC[C@H](CO)N=c1cc[nH]cc1C#N 1122230068 PCUHEAKNBXJAAL-GFCCVEGCSA-N 306.366 -0.063 30 20 DBED N#Cc1c(F)cccc1N[C@@H](CO)CNC(=O)[C@@H]1CNC(=O)N1 1122435732 BGEBDSPFCSQYPE-PELKAZGASA-N 321.312 -0.732 30 20 DBED N#Cc1cncc(N[C@H](CO)CNC(=O)c2csc(O)n2)n1 1122435850 CJLMBZPUMUUWEJ-QMMMGPOBSA-N 320.334 -0.287 30 20 DBED CN(C[C@H](O)CNc1nccnc1C#N)C(=O)CN1CCCC1 1124351792 GLCFAZNZSRIXFB-GFCCVEGCSA-N 318.381 -0.325 30 20 DBED N#CCNCc1nnc2n1CC[C@@H](NC(=O)[C@@H]1CCCO1)CC2 1127951301 WCDYNWNUUDKRLZ-RYUDHWBXSA-N 318.381 -0.109 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@@H](NCC#N)[C@H](c2cn(C)cn2)C1 1130593151 SCFRHDKOMHWHAJ-KCQAQPDRSA-N 315.377 -0.134 30 20 DBED CC#CCNC[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)COC)n2)O1 1130744277 BPCYYTNBUVORPG-NWDGAFQWSA-N 321.381 -0.100 30 20 DBED COCC#CCNC[C@@H]1CC[C@H](c2n[nH]c(CNC(C)=O)n2)O1 1130746324 BPZPODZTMPFZLT-QWHCGFSZSA-N 321.381 -0.100 30 20 DBED C[C@H](C#N)C(=O)NCc1nc([C@H]2COCCN2CC#N)n[nH]1 1130836226 YXVYGRIHNJVXLH-NXEZZACHSA-N 303.326 -0.523 30 20 DBED COCC#CCN1C[C@@H](NC(=O)Cn2cnnc2O)CC[C@H]1C 1131977290 UZKNIZLZCSUKHK-OLZOCXBDSA-N 321.381 -0.397 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@@H]1CCc2cnc(C)n2C1 1133000749 JMKJXLFJBAVEEZ-CYBMUJFWSA-N 319.409 -0.238 30 20 DBED C=C(C)CCNCCNC(=O)Cn1ncn2nccc2c1=O 1134672785 AXRIWDKYJXLEHE-UHFFFAOYSA-N 304.354 -0.437 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CCO[C@H]2C=C)CC1 1136632770 LJSXQCXJBSZOBC-CABCVRRESA-N 319.405 -0.139 30 20 DBED C#CCO[C@H](C)C(=O)N1CC2(CCN([C@@H]3CCCNC3=O)C2)C1 1147530765 QQMSEJKMFDTDJR-ZIAGYGMSSA-N 319.405 -0.162 30 20 DBED C=CCNC(=O)CN1CCCO[C@@H](CNC(=O)C(F)F)C1 1148986935 RBYMKEMLAQWIIU-JTQLQIEISA-N 305.325 -0.239 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)CN(C)C(=O)C2CC2)C1 1149816708 DFMXZEPRBAOSEQ-CQSZACIVSA-N 307.394 -0.305 30 20 DBED COCCC1(NC(=O)Cc2nc[nH]n2)CCN(CC#N)CC1 1151399297 YXRWGVSWICVOBK-UHFFFAOYSA-N 306.370 -0.142 30 20 DBED C=CCNC(=O)CNCCNC(=O)CNC(=O)CC(C)(C)C 1151465738 JZNOQKUFTSESFE-UHFFFAOYSA-N 312.414 -0.453 30 20 DBED C=CCNC(=O)CNCCNC(=O)Cc1nc(C2CC2)nn1C 1151723753 UQIJHNPNUFKWET-UHFFFAOYSA-N 320.397 -0.757 30 20 DBED C=CCCOCC(=O)NCCNCCCNS(=O)(=O)CC 1153085653 GAEOMHGXQONWJV-UHFFFAOYSA-N 321.443 -0.386 30 20 DBED C#CCN(CC)[C@H](C)CNC(=O)Cn1nc2n(c1=O)CCCC2 1156240727 MFUWNXTUAWQKGL-CYBMUJFWSA-N 319.409 -0.159 30 20 DBED CNC(=O)NC(=O)[C@H](C)NCCCNC(=O)c1cc(C#N)c[nH]1 1156296748 UQWBOSIHSSCEGT-VIFPVBQESA-N 320.353 -0.560 30 20 DBED C#CCNC(=O)CC(=O)NCCCNCCc1ccns1 1156852915 QKIGRTYKSLIJBE-UHFFFAOYSA-N 308.407 -0.079 30 20 DBED COCC#CCN1CC=C(CCNC(=O)[C@@H]2CCNC2=O)CC1 1160875228 GTEKVZKOECLSMM-HNNXBMFYSA-N 319.405 -0.089 30 20 DBED Cc1nc[nH]c1C(=O)NCCC1(CNCC(=O)NCC#N)CC1 1168573015 OUAADMDABJYNHE-UHFFFAOYSA-N 318.381 -0.152 30 20 DBED C#CCNC(=O)CNCCCNC(=O)C[C@H](OC)C(F)(F)F 1170352287 DAHGFQDERQKTBM-JTQLQIEISA-N 323.315 -0.201 30 20 DBED C#CCNC[C@@H]1C[C@H]2CC[C@H]1N(C(=O)CN1CC(=O)NC1=O)C2 1177914696 ZHOYEUPZSYMADU-FRRDWIJNSA-N 318.377 -0.612 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](NCc2ccccn2)C1 1182134802 XYZOAYOOGNCHPP-CQSZACIVSA-N 300.362 -0.088 30 20 DBED C[C@@H]1CN(C(=O)CCCS(N)(=O)=O)CC[C@@H]1CNCC#N 1185041683 VACJDMCQMSKBLI-VXGBXAGGSA-N 316.427 -0.347 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CCN(C)[C@@H](C)C2)C1 1185156763 BAEMEUUWLKWPMV-SOUVJXGZSA-N 320.437 -0.343 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)C2(C(=O)NC)CC2)C1 1186321314 KIHCBAWXEDQQRG-LLVKDONJSA-N 308.382 -0.995 30 20 DBED CC(C)n1cc(C(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)nn1 1186622788 QMKMRJRHOSCIOV-LLVKDONJSA-N 319.369 -0.697 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)c2c[nH]c(C)cc2=O)C1 1186762381 OHTGBMWKVXSYSL-GFCCVEGCSA-N 318.377 -0.210 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CCN(C(C)=O)C2)C1 1187491355 OSQMDHDLKHHYDA-UONOGXRCSA-N 322.409 -0.653 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2cncs2)C1 1191362203 XFFZLRNOLMVXGG-NXEZZACHSA-N 310.379 -0.780 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2ccc(O)nc2)C1 1193825343 ORAVHDPQGHZHDM-ZDUSSCGKSA-N 316.361 -0.317 30 20 DBED N#CCN1CCCN(C(=O)CCNC(=O)[C@@H]2CCCO2)CC1 1198386313 SQSCXQRXEJRMSX-ZDUSSCGKSA-N 308.382 -0.270 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2cnnn2CC)C[C@H]1O 1199313365 KBHXSLUBCPHXNG-IACUBPJLSA-N 323.397 -0.450 30 20 DBED C#CCNC(=O)CNC[C@H]1CN(C(=O)COCC=C)CCCO1 1200108755 JHPYSFLQUPHTHQ-AWEZNQCLSA-N 323.393 -0.855 30 20 DBED COCC#CCNC[C@H]1CN(C(=O)c2cncn2C)CCCO1 1200886847 DNWDKAJDWAELAR-AWEZNQCLSA-N 320.393 -0.109 30 20 DBED CC#CCNC1CCN(C(=O)CN2CCCS2(=O)=O)CC1 1200893628 GCZCAFIVJURPCW-UHFFFAOYSA-N 313.423 -0.374 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)CCc2cnc[nH]2)CC1 1200942736 BUXUXXLZQYRPQB-UHFFFAOYSA-N 317.393 -0.328 30 20 DBED C=CCN[C@@H]1C[C@H](NC(=O)CNS(=O)(=O)NC)C12CCC2 1203232505 WNEIFQQDCHNZHE-MNOVXSKESA-N 316.427 -0.757 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(C[C@H](O)COC)C[C@H]1C 1207583168 NYUFUEKIONAOBY-QXSJWSMHSA-N 323.437 -0.472 30 20 DBED CC(=O)CCCC(=O)N1C[C@@H](NCC(=O)NCC#N)[C@H](C)C1 1214133604 FYRSUSWQJOLEHR-DGCLKSJQSA-N 308.382 -0.178 30 20 DBED C[C@H](C(=O)N1CCO[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21)C1CC1 1217601396 SZGIAZUGBMPNRA-FPMFFAJLSA-N 320.393 -0.416 30 20 DBED C=CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)C(=O)NCC(F)(F)F 1218872211 KMSALPCIMOBFCI-VHSXEESVSA-N 321.299 -0.238 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(Cc2nccnc2C)C[C@@H]1O 1219535976 INESKJJZEWVLLC-IJEWVQPXSA-N 320.393 -0.227 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2ncc(CC)o2)C[C@@H]1O 1219605338 OZLZKSLHAJHOOL-BNOWGMLFSA-N 321.377 -0.063 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)COC[C@H](C)N2CCCC2)C1 1220388079 ZNAZSBKXUWEHPT-XHSDSOJGSA-N 323.437 -0.328 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)CCn2cc(C)cn2)C1 1221083254 IJZJDWOCIDNTDL-CABCVRRESA-N 322.409 -0.054 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC(CNC(=O)COCC)CC1 1222302959 QTTPYAQBDURELQ-CYBMUJFWSA-N 309.410 -0.011 30 20 DBED C#CCNC(=O)CC(=O)NCC1CCN([C@@H](C)COC)CC1 1222921452 SEXWSAWQQOJZDM-ZDUSSCGKSA-N 309.410 -0.011 30 20 DBED C#CCCN1CCC(CNC(=O)CNC(=O)CNC(C)=O)CC1 1223638516 URWWKNHDXPONGO-UHFFFAOYSA-N 322.409 -0.910 30 20 DBED CCc1cc(C(=O)NC2CCN(CC(=O)NCC#N)CC2)n[nH]1 1226112806 NWYJEEIDVGGJIP-UHFFFAOYSA-N 318.381 -0.194 30 20 DBED COC(=O)[C@H]1C[C@@H]1C(=O)NC1CCN(CC(=O)NCC#N)CC1 1226471975 WROYVRGGFKXGJX-RYUDHWBXSA-N 322.365 -0.984 30 20 DBED C[C@@H](C#N)C(=O)NC1CCN(C[C@@H](O)Cn2cccn2)CC1 1226647622 CIPRENSDKKNMDY-GXTWGEPZSA-N 305.382 -0.016 30 20 DBED CCNC(=O)NC(=O)CN1CC[C@@H]1CN(C)C(=O)C#CC1CC1 1234178829 OXELDKWCDXGEAO-CYBMUJFWSA-N 320.393 -0.222 30 20 DBED C#CCN(CC#N)C(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1 1321647876 CJIPKUXRQWCIHZ-UHFFFAOYSA-N 319.342 -0.455 30 20 DBED C=CC[C@@H]1NC(=O)N(c2ccn(CCS(C)(=O)=O)n2)C1=O 1322800730 ZQEDOTYBTDUJGY-VIFPVBQESA-N 312.351 -0.071 30 20 DBED N#CCNC(=O)CNC(=O)N1CC[C@@H](C(=O)N2CCCC2)C1 1323414644 ZPQLNQROCDZUNP-LLVKDONJSA-N 307.354 -0.720 30 20 DBED COC[C@@H](O)CN1CC[C@](C)(NC(=O)CSCC#N)C1 1324574112 QCVMOPZQSXOUBF-AAEUAGOBSA-N 301.412 -0.169 30 20 DBED C=C[C@@H]1CCCCN1C(=O)C(=O)NCc1nnc2n1CCOC2 1327452505 ZAYWKJVPDZRDKX-LLVKDONJSA-N 319.365 -0.008 30 20 DBED COCC#CC(=O)Nc1cccc(C(=O)NCCC(N)=O)c1 1327881849 UKXSSMJMSWEQGS-UHFFFAOYSA-N 303.318 -0.120 30 20 DBED CO[C@H](C)CNC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N 1329607194 CVYNBNKMIXVBLX-SECBINFHSA-N 322.369 -0.594 30 20 DBED C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1CCO[C@H](C#N)C1 1329644184 LAKJDRDVGRRAOT-RTXFEEFZSA-N 306.366 -0.664 30 20 DBED C[S@@](=O)CCN1CCN(CC(=O)NC2(C#N)CCC2)CC1 1342005961 YNSAOROKBLLZEA-OAQYLSRUSA-N 312.439 -0.455 30 20 DBED CNS(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H](C)CC#N)cc1 1343338073 XMJGBZWDHZIHCX-SECBINFHSA-N 324.362 -0.048 30 20 DBED CS(=O)(=O)c1ccccc1NN=C1C(=O)NC(=O)NC1=O 1343846833 GKDUYPCGEDHDDH-UHFFFAOYSA-N 310.291 -0.776 30 20 DBED C=CCNC(=O)Cn1nnnc1N1CC[C@@H](C)[S@](=O)CC1 1355581664 IXGWYGVITPLMJW-LADRHHBVSA-N 312.399 -0.677 30 20 DBED C[C@H](NC(=O)Cn1cc(C#N)c(O)nc1=O)C1CCOCC1 1362239306 QRLWJIIKYKPEKK-VIFPVBQESA-N 306.322 -0.248 30 20 DBED CN(CCC#N)S(=O)(=O)N1CCCC[C@@H]1CS(N)(=O)=O 1364037514 XHMOHJDZUUNIAV-SNVBAGLBSA-N 324.428 -0.780 30 20 DBED CNC(=O)Cc1nc(Cn2c(=O)[nH]cc(C#N)c2=O)cs1 1364274001 AABUPAWDODNVBQ-UHFFFAOYSA-N 305.319 -0.798 30 20 DBED CN1CCN(C2CCN(C(=O)Cn3cnc(C#N)n3)CC2)CC1 1364496920 LJSNHLQJTYVWLR-UHFFFAOYSA-N 317.397 -0.612 30 20 DBED N#CCCn1ccc(NC(=O)NC[C@@H](O)Cn2ccnn2)n1 1365767351 FERUKTSXFOVJBV-SNVBAGLBSA-N 304.314 -0.429 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CNC(=O)Cn2ncnn2)CC1 1372165194 GRDKDMNUZHSYSM-JTQLQIEISA-N 305.342 -0.812 30 20 DBED CNC(=O)NC(=O)[C@@H](C)N1C[C@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2C1 1393414926 LQXUBJGFGMBSSP-WHOHXGKFSA-N 321.381 -0.620 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CCCN(C(=O)[C@H]2CCC(=O)N2C)C1 1398538764 IAKKHMFENWGCMW-SDDRHHMPSA-N 306.366 -0.126 30 20 DBED CC(=O)N[C@H](C)C(=O)N1CC(CNC(=O)c2cc(C#N)c[nH]2)C1 1409133326 ZYPCNJNUDADLGE-SECBINFHSA-N 317.349 -0.401 30 20 DBED Cn1ncc(C(=O)N2CC[C@](O)(CC#N)C2)c1-n1cnnc1 1413180714 NJLRPDQPLMBTJR-CYBMUJFWSA-N 301.310 -0.509 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CN(C)C(=O)CN1CCCCC1=O 1413305431 ZAGCJUCOEAWZGJ-NWDGAFQWSA-N 324.381 -0.906 30 20 DBED C[C@@H](C#N)C(=O)NC1CN(C(=O)[C@@H]2CCn3ccnc3C2)C1 1416045256 DUYIKAVZLNIHJT-WDEREUQCSA-N 301.350 -0.068 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNCC(=O)NCCC(C)(C)C 1422263426 IFINZQUTWNLHNI-NWDGAFQWSA-N 312.414 -0.235 30 20 DBED CCCN(C(=O)Cn1ncnn1)[C@@H]1CCN(C(=O)[C@@H](C)C#N)C1 1449993461 CLKFCZIKLSPPLJ-NWDGAFQWSA-N 319.369 -0.328 30 20 DBED C[C@H](C#N)C(=O)NCCN(C)C(=O)[C@@H]1Cc2cncn2C(=O)N1 1455433643 MBKBLYSYMNCVNQ-KOLCDFICSA-N 318.337 -0.900 30 20 DBED CN1CCCC[C@@H]1CNC(=O)Cn1cc(C#N)c(O)nc1=O 1472246087 RISAAERGMVNELI-LLVKDONJSA-N 305.338 -0.579 30 20 DBED CC(=O)N(C)CC(=O)NCCN(C)C(=O)c1cc(C#N)c[nH]1 1495862520 VZQXVQNMAWCINE-UHFFFAOYSA-N 305.338 -0.447 30 20 DBED Cc1nnc(CC(=O)N(C)C[C@@H](O)CNC(=O)[C@H](C)C#N)o1 1511532292 MBYVWFNXSDJUAZ-SCZZXKLOSA-N 309.326 -0.984 30 20 DBED Cc1nnc(N2CCO[C@H](C#N)C2)n1C[C@]1(O)CCO[C@@H]1C 1543339100 FUFBYQKUYKIBDI-MPKXVKKWSA-N 307.354 -0.145 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)C2(N(C)C)CCC2)C1 1566665409 UHBZSPLVPOMOFZ-ZDUSSCGKSA-N 308.426 -0.037 30 20 DBED C#CC[C@H](CO)NC(=O)NC[C@H](N1CCNCC1)C(F)(F)F 1574505486 WLWATFBQKLFKMN-MNOVXSKESA-N 322.331 -0.494 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CCCc2cnn[nH]2)[C@H](O)C1 1574883465 XLECXAXLUJPHKJ-ZIAGYGMSSA-N 305.382 -0.298 30 20 DBED CCN(CCC(=O)OC)c1cnc(-c2nn[nH]n2)c(C#N)n1 1577909471 SRVGFYSMFDWUQZ-UHFFFAOYSA-N 302.298 -0.082 30 20 DBED Cc1cc(-c2nn[nH]n2)c(O)nc1C(=O)N1CC(O)(CC#N)C1 1580597545 IRKLNVPNZCUHLD-UHFFFAOYSA-N 315.293 -0.624 30 20 DBED C#CCN1CCC(OC(=O)CN2CCC[C@@H](C(=O)O)C2=O)CC1 1588477314 YBZZQMARUMWQKA-CYBMUJFWSA-N 322.361 -0.050 30 20 DBED N#Cc1cccc(-c2nn[nH]n2)c1NCCN1C(=O)CNC1=O 1592700043 YIHKQWZLJLUDHW-UHFFFAOYSA-N 312.293 -0.298 30 20 DBED N#Cc1nc(N2CCC[C@H](CC(N)=O)C2)cnc1-c1nn[nH]n1 1592704674 LZGKGHMTGJGNLT-MRVPVSSYSA-N 313.325 -0.380 30 20 DBED CCc1nc(C)c(Cn2c(=O)c(C#N)cn(CC(=O)O)c2=O)o1 1593648436 IAYSOBNCPVAMFN-UHFFFAOYSA-N 318.289 -0.127 30 20 DBED N#Cc1cccc(CNC(=O)C(=O)N2CCO[C@@H](C(=O)O)C2)c1 1594625766 OQDKFCJDKSQSKJ-GFCCVEGCSA-N 317.301 -0.514 30 20 DBED COCC#CCN1CCN(CCNC(=O)[C@@H]2C[C@H]2C(=O)O)CC1 1599139105 TWAVRNCKKRRFKG-ZIAGYGMSSA-N 323.393 -0.909 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C(=O)O)C2)CCN1C1CC1 1601060561 CLKAABFAKACIFI-CMPLNLGQSA-N 320.349 -0.882 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C(=O)O)C2)CCN1C1CC1 1601060564 CLKAABFAKACIFI-ZYHUDNBSSA-N 320.349 -0.882 30 20 DBED C[C@](C#N)(NC(=O)Cn1cncc(-c2nn[nH]n2)c1=O)C1CC1 1602981552 HYVLBSCJJCNCOP-CYBMUJFWSA-N 314.309 -0.768 30 20 DBED N#Cc1nc(N)n(CCCN2CCCC2=O)c1-c1nn[nH]n1 1606388953 ILZGHKAYEJNWFV-UHFFFAOYSA-N 301.314 -0.470 30 20 DBED CO[C@@]1(C(=O)O)CCN(C(=O)C(=O)N2CCC[C@@H](C#N)C2)C1 1606691194 KINMGYBYGYZQTA-HZMBPMFUSA-N 309.322 -0.549 30 20 DBED N#CCCCCNC(=O)C(=O)N1CCC([C@H](O)C(=O)O)CC1 1608180495 PVIAEMOJTPXQQC-NSHDSACASA-N 311.338 -0.519 30 20 DBED N#CCN(CC(=O)O)C(=O)c1ccnc(N2CCOCC2)n1 1608184664 ZGCFOSMNMUJKPL-UHFFFAOYSA-N 305.294 -0.636 30 20 DBED N#Cc1ccc(CNC(=O)c2cnn(C[C@@H](O)CO)c2)nc1 1645987212 AWPGKDVMSCWVJE-CYBMUJFWSA-N 301.306 -0.567 30 20 DBED COCC#CCN(C)CCCNC(=O)[C@@H](C)NS(C)(=O)=O 1752067880 FXGDOEMEGPETAQ-GFCCVEGCSA-N 319.427 -0.988 30 20 DBED CC(C)C#CC(=O)NC1C[C@@H]2CC[C@H](C1)N2CC(=O)NC(N)=O 1752693934 JBACMEIHFUJTOZ-YHWZYXNKSA-N 320.393 -0.048 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@@H](NC(=O)[C@H]2CCC[C@H]2OC)C1 1752737257 KUWXONPLWIKBOC-RFQIPJPRSA-N 307.394 -0.212 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCCN(C(=O)c2nc[nH]n2)C1 1752998386 FBKCWZWUKNBMMD-LLVKDONJSA-N 306.370 -0.357 30 20 DBED C#CCNC(=O)CN(C)CCNC(=O)Cc1ccn(CC)n1 1753049583 IVDACUHDMQUJPV-UHFFFAOYSA-N 305.382 -0.757 30 20 DBED C[C@H](C#N)C(=O)N(C)CCNCC(=O)NC(=O)NC(C)(C)C 1753176848 CXTCERCQBYZHCY-SNVBAGLBSA-N 311.386 -0.182 30 20 DBED CC[C@H](CNC(=O)c1cn(C)nc1C)NCC(=O)NCC#N 1753469078 SVTAJPXNWZJKGB-LLVKDONJSA-N 306.370 -0.534 30 20 DBED C#CCNC(=O)CNC[C@H](NC(=O)C12CCN(CC1)C2)C1CC1 1754457801 RMSQSBHRXSEGQX-AWEZNQCLSA-N 318.421 -0.684 30 20 DBED Cc1nnsc1C(=O)NCC1(NCC(=O)NCC#N)CC1 1754507347 HOGDWEOXLAYQJP-UHFFFAOYSA-N 308.367 -0.662 30 20 DBED C[C@]1(CNCC(=O)NCC#N)CCN(C(=O)[C@@H]2CCCO2)C1 1754686599 GOEYDHKQGCELPT-SWLSCSKDSA-N 308.382 -0.367 30 20 DBED CC(C)CN1C[C@@H](C(=O)NC[C@@]2(O)CCN(CC#N)C2)CC1=O 1754753315 DECKYOUKIKEABE-BBRMVZONSA-N 322.409 -0.433 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C[C@@H](O)Cn2cccn2)C1 1754768059 YXOBLIJVODIHDN-CQSZACIVSA-N 320.393 -0.934 30 20 DBED C[C@H](C(=O)NCC1(O)CN(CC#N)C1)N(C)CC(F)(F)F 1754772206 BODGFRMVTJAJTO-SECBINFHSA-N 308.304 -0.445 30 20 DBED CC#CCN1CC(O)(CNC(=O)[C@@H](CCCC)NC(N)=O)C1 1754779205 BVWWXOLIBMYTEV-GFCCVEGCSA-N 310.398 -0.600 30 20 DBED C#CCNC(=O)CN[C@H](C)[C@H]1CCN(C(=O)c2[nH]cnc2C)C1 1754809582 VNWJJRWKNDZDGM-YPMHNXCESA-N 317.393 -0.092 30 20 DBED C=CCOCCN1CCOC[C@@H]1CNC(=O)C1=COCCO1 1754964102 URPQFGUENXAVPD-ZDUSSCGKSA-N 312.366 -0.106 30 20 DBED N#CCNC[C@@H]1CN(C(=O)[C@H]2CCn3ccnc3C2)CCO1 1755005614 RLAWYJDCLWIZQS-QWHCGFSZSA-N 303.366 -0.214 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)c2cnnn2C)C[C@H]1C 1755160819 RPMIFWZNKOYMGS-NEPJUHHUSA-N 320.397 -0.300 30 20 DBED COCC#CCNC[C@H](C1CC1)N(C)C(=O)[C@H]1CCC(=O)N1 1755556390 QFTCBPXNSYAIRO-ZIAGYGMSSA-N 307.394 -0.259 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)c2cnc(O)n2C)[C@@H]1C 1755659423 RYWXTDLFJFIDBN-MNOVXSKESA-N 321.381 -0.380 30 20 DBED CC(C)N(CCN(C)CC(=O)NCC#N)C(=O)Cc1nc[nH]n1 1755817413 KYSFBYOBFKOPMJ-UHFFFAOYSA-N 321.385 -0.844 30 20 DBED CC#CCN(CCNC(=O)CN1C(=O)CCC1=O)CCOC 1755841801 ZETQLYXEPCCAOU-UHFFFAOYSA-N 309.366 -0.777 30 20 DBED C#CCN1CC=C(CNC(=O)[C@H](C)NS(=O)(=O)CC)CC1 1755888268 SINFEWPTUMSKIE-LBPRGKRZSA-N 313.423 -0.304 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](C)N(C)C(=O)C(=O)NCC(F)F 1756063258 HZSOYWWDBOQSCB-HTQZYQBOSA-N 304.297 -0.510 30 20 DBED CN(C[C@@H](O)CNC(=O)C#CC1CC1)C(=O)C(=O)C(C)(C)C 1756655950 LFCJHNDQMPYMRP-LBPRGKRZSA-N 308.378 -0.050 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@H](O)[C@H](NC(=O)c2c[nH]cc2C)C1 1757175546 SSVWHDUIRNXLPH-BNOWGMLFSA-N 319.361 -0.337 30 20 DBED C#CC(=O)N1CCO[C@]2(CCN(C(=O)CCN3CCCC3)C2)C1 1785676828 XYKPZUZWVLVEHH-KRWDZBQOSA-N 319.405 -0.065 30 20 DBED CC[C@H](C)[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC#N)C2 1793395972 GWUDTASNCMSYAV-QIRZIZBZSA-N 323.393 -0.103 30 20 DBED CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1795150156 NCFKGIDQIRUMNP-QHBPRCKVSA-N 308.334 -0.536 30 20 DBED C#CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)CNC(N)=O)CC2 1825029510 QJYYDRUUKXFOCT-SSDOTTSWSA-N 321.362 -0.643 30 20 DBED C#CC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](N)CN)CC1 1831321259 PTWLPYXGEGTSBX-KBPBESRZSA-N 306.410 -0.475 30 20 DBED C#CC(=O)N1CCCC12CN(C(=O)c1cccc(=O)n1O)C2 1845958521 RVTHIGIRPZFVCO-UHFFFAOYSA-N 301.302 -0.464 30 20 DBED C#CC(=O)N1CC2(CCCN2C(=O)CN2CCCCC2=O)C1 1846292071 IIBIDOPUTBRVEE-UHFFFAOYSA-N 303.362 -0.165 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN([C@H](C)C(=O)NC2CC2)CC1 25319540 KAZYDNMJBKQKHN-CHWSQXEVSA-N 308.426 -0.038 30 20 DBED C#CCOCCC(=O)NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 155901657 ICOXUOUWWDEQGT-NZBPQXDJSA-N 316.357 -0.050 30 20 DBED C=CCn1nnn(CN2CCN(CCOC)C(=O)C2)c1=S 160780708 GCGIFXDMWKHDKV-UHFFFAOYSA-N 312.399 -0.257 30 20 DBED CC#CCNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)cc1 190533090 UQGWNVFOPXCXDY-UHFFFAOYSA-N 314.345 -0.299 30 20 DBED C=CCN1CC[C@@H](N(C)CC(=O)N(C)CC(=O)NCCC)C1=O 281360923 NVCCBPVNZCHDID-CYBMUJFWSA-N 324.425 -0.310 30 20 DBED C#CCN(CC#N)C(=O)[C@@H]1CC[C@H](C(=O)N(CC#C)CC#N)O1 281936379 INLDLIALWFWKPI-OKILXGFUSA-N 312.329 -0.495 30 20 DBED CCCC(=O)N1CSC[C@@H]1C(=O)NCCn1cnc(C#N)n1 286692535 CSLSGSHNNOCOBK-SNVBAGLBSA-N 322.394 -0.032 30 20 DBED C#CCNC(=O)CCN(C)Cc1ccccc1S(N)(=O)=O 293503565 HPKKUAMXKWWAKE-UHFFFAOYSA-N 309.391 -0.095 30 20 DBED Cc1ncc(S(=O)(=O)NC[C@@H]2CN(C)CCO2)cc1C#N 314453767 GLQSCVHEEALARV-GFCCVEGCSA-N 310.379 -0.129 30 20 DBED C#CCN(C)CCCNS(=O)(=O)c1cc(C(=O)O)no1 315312104 AGYJSFOMANOGQT-UHFFFAOYSA-N 301.324 -0.394 30 20 DBED C[C@H](O)CN1CCN(/C(O)=N/[C@@H]2CC[S@](=O)C2)C[C@@H]1C 329794670 WDJHBUAAJWOKMG-UWBFWJQTSA-N 303.428 -0.192 30 20 DBED CCNC(=O)[C@H](C)/N=C(/O)N[C@H]1CCc2nc(COC)nn2C1 330967309 DRISSCYCSQMBNE-UWVGGRQHSA-N 324.385 -0.233 30 20 DBED N#C[C@H]1CN(S(=O)(=O)NCCN2CCCCC2)CCO1 336917837 NSOLTOGRXCVSCA-LBPRGKRZSA-N 302.400 -0.469 30 20 DBED Cc1nccn1CCCNS(=O)(=O)N1CCO[C@@H](C#N)C1 336931357 ZXCWZDQRCWOZOR-LBPRGKRZSA-N 313.383 -0.360 30 20 DBED COCCN(CCC#N)S(=O)(=O)NC[C@H](O)C(F)F 336942652 KSXMUZMUSRGGEV-QMMMGPOBSA-N 301.315 -0.691 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCc2cncc(C)c2)C1=O 340715887 XNFMTOFPQHJOHS-UHFFFAOYSA-N 316.317 -0.017 30 20 DBED C=CCNC(=O)CNC(=O)Nc1cnn(CC(=O)NC2CC2)c1 348213365 IXTSLMHEQUVFLN-UHFFFAOYSA-N 320.353 -0.415 30 20 DBED C=C[C@@H](CO)NS(=O)(=O)c1cccc(-c2nnnn2C)c1 349779607 VTVCYVKPIYKNMS-JTQLQIEISA-N 309.351 -0.298 30 20 DBED N#Cc1cccc(N2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)n1 351875804 JHXDKMJXVJCFNJ-QWHCGFSZSA-N 322.390 -0.767 30 20 DBED CCOC(=O)c1cnn(CC(=O)NC(=O)NC2CC2)c1C#N 353429655 USSWCUNTHYQEMB-UHFFFAOYSA-N 305.294 -0.080 30 20 DBED C=C[C@@H](CO)NC(=O)C(=O)Nc1ccc(-n2ccnn2)cc1 354575896 VMEAOUMPOBPMRH-JTQLQIEISA-N 301.306 -0.131 30 20 DBED CN(C(=O)C(=O)Nc1ccc(F)cc1C#N)[C@@H]1COC[C@@H]1O 356928196 VSTYTHYZYAXSTA-NEPJUHHUSA-N 307.281 -0.146 30 20 DBED C[C@H]1CN(CCN(C)C(=O)NCC(=O)NCC#N)C[C@@H](C)O1 358273793 KUMQGIXRQKKVTG-TXEJJXNPSA-N 311.386 -0.623 30 20 DBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1nn[nH]n1 360981545 MLWLJTDUSYSKHW-ZETCQYMHSA-N 321.322 -0.623 30 20 DBED C[C@]1(C(=O)NCC(=O)NCC#N)Cc2ccccc2C(=O)O1 367732878 DVDRBXBYYIXGEZ-OAHLLOKOSA-N 301.302 -0.086 30 20 DBED C=CCNC(=O)NC(=O)CN1CC[C@H](OC)C[C@@H]1C(=O)OC 370349456 QORLXGPMRSFIMH-WDEREUQCSA-N 313.354 -0.349 30 20 DBED N#CCNC(=O)CNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 376184816 OZIVQNAXLVJFGE-SNVBAGLBSA-N 304.306 -0.616 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C(=O)[C@H](C)C#N)[C@@H](C(=O)N(C)C)C1 434261766 RRUDGWJUCSXYKL-IJLUTSLNSA-N 319.365 -0.567 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N2CCO[C@@H]3CCC[C@H]32)CCO1 554520793 VTXVIFBYMQQHKI-IJLUTSLNSA-N 301.368 -0.291 30 20 DBED COC(=O)[C@H]1CNC(=O)CN1CC(=O)NC1(C#N)CCCCC1 567609158 NEMOIFPLWDFXTC-LLVKDONJSA-N 322.365 -0.698 30 20 DBED N#Cc1ccc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)o1 569140783 NTPZHIZQVJHJBB-SCZZXKLOSA-N 310.335 -0.916 30 20 DBED O=C(CSc1nnnn1CC(F)(F)F)NCC#CCO 579257472 XWTIFGCCCOMONV-UHFFFAOYSA-N 309.273 -0.561 30 20 DBED CC(C)N=c1[nH]c(N2CC[C@@](F)(C#N)C2)nc(=NCCO)[nH]1 588028520 PPHQWJPAEILSJW-CYBMUJFWSA-N 309.349 -0.618 30 20 DBED C=CCN([C@H](C)COC)S(=O)(=O)N1CCO[C@@H](C#N)C1 594807102 FPKGAHQALIHZLX-NEPJUHHUSA-N 303.384 -0.022 30 20 DBED Cc1cc(C#N)cc(NC(=O)C(=O)NCCN2CC[C@H](O)C2)c1 600096749 AEFVIBFGCCKVLN-AWEZNQCLSA-N 316.361 -0.012 30 20 DBED Cc1c(C#N)c(=O)n(CC(=O)N(C)CC(F)(F)F)c(=O)n1C 603360011 TYLQWDXWHHCLJC-UHFFFAOYSA-N 318.255 -0.252 30 20 DBED COC(=O)CCNC(=O)CN1CCN([C@@H](C#N)C(C)C)CC1 609485997 BJPPWKPMTPYSQF-ZDUSSCGKSA-N 310.398 -0.169 30 20 DBED C=C(CNC(=O)c1ccnn1C)CNC(=O)c1ccnn1C 620748173 MKERPHYEWYGHGH-UHFFFAOYSA-N 302.338 -0.130 30 20 DBED C=CCn1cc(C(=O)N2CCN(c3cnn(C)c3)C(=O)C2)nn1 648315403 PPSCPGDWMOURJZ-UHFFFAOYSA-N 315.337 -0.313 30 20 DBED C=CC[C@H](CO)CNC(=O)C(=O)Nc1ccnc(OCCO)c1 657774781 DVZMRCPKGSBONC-NSHDSACASA-N 323.349 -0.308 30 20 DBED CCN(CC#CCOC)CC(=O)N[C@H]1CCS(=O)(=O)C1 677818115 ZMNVXSYOJBJAOA-LBPRGKRZSA-N 302.396 -0.739 30 20 DBED C[C@H](CC#N)OC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 733711027 QZSLDLIAQWTJSS-SECBINFHSA-N 319.321 -0.331 30 20 DBED N#Cc1ccc(CC(=O)OCC(=O)N2CCNC(=O)C2)cc1 750242547 PYCIGHHXPFLTGA-UHFFFAOYSA-N 301.302 -0.398 30 20 DBED CC[C@H](C)C=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 755805119 RGZVSOAOSZAVKA-QMMMGPOBSA-N 302.356 -0.606 30 20 DBED COc1cccc(NN=Cc2c(N)n(C)c(=O)n(C)c2=O)n1 779819017 GACKSHDIJUUMIV-UHFFFAOYSA-N 304.310 -0.484 30 20 DBED N#CCNC(=O)CNC(=O)CN1C(=O)CCOc2ccccc21 804819998 VTMVVWMIFFVESH-UHFFFAOYSA-N 316.317 -0.442 30 20 DBED C#CCn1cc(CNC(=O)Cn2cc(C(=O)OC)nn2)cn1 807942242 MYUARHITCGUTST-UHFFFAOYSA-N 302.294 -0.789 30 20 DBED NS(=O)(=O)c1cc(C=NN2CC(=O)NC2=O)ccc1F 807960164 NVDZRVKDFOZBEE-UHFFFAOYSA-N 300.271 -0.641 30 20 DBED Cn1cc(S(=O)(=O)NCCOC(=O)CCCC#N)cn1 812615038 ZIDLXIXRVROUJG-UHFFFAOYSA-N 300.340 -0.065 30 20 DBED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2COC(=O)C2)c1 816680781 VCDXGOLQPWCRQR-NSHDSACASA-N 322.342 -0.357 30 20 DBED O=C(Cn1nnc2ccccc2c1=O)N[C@H]1CCCN(O)C1=O 816753679 NFWXCQXCEZDNGV-NSHDSACASA-N 317.305 -0.712 30 20 DBED C#CCN(C)CCCNC(=O)[C@@H]1CCCN1C(=O)CNC(C)=O 818606280 IXLHTHLTYAPWFA-AWEZNQCLSA-N 322.409 -0.815 30 20 DBED C#CCO[C@H](C)C(=O)N1CCN(c2ncccc2C(N)=O)CC1 822868101 UIATUHUQCJGQGA-GFCCVEGCSA-N 316.361 -0.133 30 20 DBED C[C@H](OC(=O)C#Cc1ccc2c(c1)OCO2)C(=O)NCC(=O)O 827802076 BWFVETLMBUPQGT-VIFPVBQESA-N 319.269 -0.101 30 20 DBED C=CC[C@@H](CO)CNC(=O)C(=O)Nc1cc(C(=O)O)n(C)c1 833369658 CLUWUSDGELUPBO-SECBINFHSA-N 309.322 -0.037 30 20 DBED CC(=O)c1cn(CC(=O)N2CCN(C3CC3)[C@H](C#N)C2)nn1 863946944 UQYYQOSEOCONKP-GFCCVEGCSA-N 302.338 -0.321 30 20 DBED COC(=O)c1cc(S(=O)(=O)NCC#CCO)ccc1F 867467436 OAKHDZLHBLFDNQ-UHFFFAOYSA-N 301.295 -0.114 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N1CC[C@](C)(C(=O)OC)C1 875597503 DPGNTRDCVSFNEJ-WBMJQRKESA-N 324.377 -0.057 30 20 DBED C#CCN1CCC[C@@H](NC(=O)N2CCC(NC(N)=O)CC2)C1 890369509 XGJPDHHMFYPKMB-CYBMUJFWSA-N 307.398 -0.074 30 20 DBED C#CCCN1CCC(NC(=O)C2CN(S(C)(=O)=O)C2)CC1 900796992 ACYGVQVTFYJDKW-UHFFFAOYSA-N 313.423 -0.518 30 20 DBED CNC(=O)COc1cccc(CNC(=O)NCC#CCO)c1 923770330 VQIBCQGAILKZKH-UHFFFAOYSA-N 305.334 -0.394 30 20 DBED C=C(CN(C)C)C(=O)Nc1ccn(CCN2CCNC2=O)n1 928630035 IJPRIZRBZODXKA-UHFFFAOYSA-N 306.370 -0.035 30 20 DBED C#C[C@@H](NC(=O)C(=O)NCC1CC2(C1)OCCO2)[C@H]1CCCO1 930471980 ZUEIAKZYOQGCGR-CHWSQXEVSA-N 322.361 -0.447 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](NC(=O)Cn2nccn2)C1 938016844 KTIRSZZLUSJUOA-XQQFMLRXSA-N 319.365 -0.414 30 20 DBED C#Cc1ccc(C(=O)N(CC)[C@@H]2CCN(C(=O)C(N)=O)C2)cn1 942892970 LJBMIJPINAYADZ-CYBMUJFWSA-N 314.345 -0.389 30 20 DBED C#CCN1CC[C@H](NC(=O)CN2CCCS2(=O)=O)C[C@@H]1C 947365867 VBZVYPBKRIXLBM-STQMWFEESA-N 313.423 -0.376 30 20 DBED O=C1NC[C@@H](C(=O)NCC2CCN(C(=O)C#CC3CC3)CC2)N1 948924385 CPUBHWIVXMNWLC-ZDUSSCGKSA-N 318.377 -0.564 30 20 DBED C#CCN1CCOC2(CCN(C(=O)[C@H]3COCCN3C)CC2)C1 949343726 ONFLBXLTDKSRFK-OAHLLOKOSA-N 321.421 -0.356 30 20 DBED N#Cc1cc(C(=O)N2CC[C@@H]2CNC(=O)c2cnon2)c[nH]1 951753600 UMQMFQBFQRTTOU-SNVBAGLBSA-N 300.278 -0.086 30 20 DBED CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]1CCN1C(=O)C#CC1CC1 952156983 WDBIESQZIJHBOV-HZSPNIEDSA-N 317.389 -0.159 30 20 DBED C=CC(C)(C)C(=O)N1CC(N(C)C(=O)CN2CCNC(=O)C2)C1 954953832 BNZNECZRAAMLRO-UHFFFAOYSA-N 322.409 -0.700 30 20 DBED CC(=O)N1CCO[C@@H](C(=O)N(C)C2CN(C(=O)[C@H](C)C#N)C2)C1 955010236 VANWCHNEIADNMX-ZWNOBZJWSA-N 322.365 -0.937 30 20 DBED C#CCCN1C[C@H](O)[C@H](CNC(=O)c2c(O)nnc(C)c2C)C1 958313055 IWBKXJZARKZNMP-OLZOCXBDSA-N 318.377 -0.155 30 20 DBED Cn1ncc(C(=O)NC[C@H]2CN(CC#N)C[C@H]2O)c1C(F)F 958581940 VVSOBGMLRCRIGQ-WCBMZHEXSA-N 313.308 -0.096 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2CN(CCCO)C[C@H]2O)nc1 958602290 DULYMFQIDRKSTO-UKRRQHHQSA-N 303.362 -0.532 30 20 DBED C#CCN1CCC(C(=O)NC[C@H]2CN(CC=C)C[C@@H]2O)CC1 958723696 IXGCXNLDQASRCV-HOTGVXAUSA-N 305.422 -0.074 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CN(C(=O)C3(CF)CC3)C[C@@H]2O)c[nH]1 962388725 DMRNUOBQLNDOLZ-NEPJUHHUSA-N 320.324 -0.062 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@H](NC(=O)c2cnn(CC)n2)C1 962717102 NZBVPYWEQUNNOB-NEPJUHHUSA-N 321.381 -0.188 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cnnc1O 968875988 YLHBFMHTMKIIBH-MXWKQRLJSA-N 318.337 -0.655 30 20 DBED CCN1CCOC[C@H]1C(=O)N[C@H]1[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]21 976779663 DIAKGMNPWXLDRO-PDWCTOEPSA-N 320.393 -0.560 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)C34CCN(CC3)C4)[C@H]2C1 976864110 MQBPISAJBXJIND-WUHRBBMRSA-N 302.378 -0.185 30 20 DBED C=CCCN1C[C@H](NC(=O)c2cn(CC(N)=O)nn2)C(C)(C)C1 977621090 HYOQYFWSJDJMNF-LBPRGKRZSA-N 320.397 -0.220 30 20 DBED CN(C[C@@H]1CCN1C(=O)C#CC1CC1)C(=O)c1c[nH]c(=O)cn1 978283467 VWPZZTLGEZWTTQ-LBPRGKRZSA-N 314.345 -0.144 30 20 DBED C#CCN1C[C@H]2[C@H](CNC(=O)c3cccn4c(O)nnc34)[C@H]2C1 978938704 DPWMGVOLKYMDCL-XYYAHUGASA-N 311.345 -0.024 30 20 DBED CC(=O)N1CC(C(=O)N[C@H]2CCN(C(=O)C#CC3CC3)[C@@H]2C)C1 987740000 WCOUSODBZCBXNW-ABAIWWIYSA-N 317.389 -0.016 30 20 DBED C=CCn1cc(C(=O)N2CC(NC(=O)[C@@H]3CCCOC3)C2)nn1 990473955 NJNOEVQSWVAFRS-LLVKDONJSA-N 319.365 -0.169 30 20 DBED CN1C[C@@H](C(=O)N2CC(NC(=O)c3c[nH]c(C#N)c3)C2)CC1=O 990933324 WICBKDFMFKIBEA-JTQLQIEISA-N 315.333 -0.695 30 20 DBED O=C(N[C@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1O)c1csnn1 991619526 BXAZWEOBFSYPCN-JQWIXIFHSA-N 320.374 -0.357 30 20 DBED CS(=O)(=O)CCN1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 1010686460 CMRMOMNGWXZDNZ-LLVKDONJSA-N 310.379 -0.265 30 20 DBED C[C@@H]1[C@H](NC(=O)Cn2nccn2)CCN1C(=O)C#CC1CC1 1011748571 WAFIPLQHSWVCBI-DGCLKSJQSA-N 301.350 -0.203 30 20 DBED C=C(C)C(C)(C)C(=O)N1C[C@@H]2C(NC(=O)Cn3cnnn3)[C@H]2C1 1012748676 BQSKBKKTXYCYJH-QWRGUYRKSA-N 318.381 -0.152 30 20 DBED C=C(C)CCN1CC[C@H](NC(=O)CN2CCN(C)C(=O)C2)C1 1015002229 ZDMTVOXDMWSCDK-AWEZNQCLSA-N 308.426 -0.083 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2cn(C3CCOCC3)nn2)C1 1015958065 HKXBHCUKWRSFBY-LLVKDONJSA-N 304.354 -0.043 30 20 DBED C=CCCn1cc(C(=O)N2CC[C@H](N[C@H](C)C(N)=O)C2)nn1 1019493933 RXJSDEOESIDXPM-MNOVXSKESA-N 306.370 -0.468 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@@H]3COC(=O)N3)C[C@H]2O)C1 1025524287 MWSMYJCQFSAQNR-OUAUKWLOSA-N 323.349 -0.861 30 20 DBED Cn1nnc(CN2CCC[C@@H]2CNC(=O)c2cc(C#N)c[nH]2)n1 1027812401 FKFMSNVOXGOBOE-LLVKDONJSA-N 314.353 -0.196 30 20 DBED C[C@@H](C#N)C(=O)N1CCC([C@H](C)NCc2nc(=O)n(C)[nH]2)CC1 1029068633 JHLWFMKZIGBMIS-QWRGUYRKSA-N 320.397 -0.015 30 20 DBED C#CCCN1[C@H]2CC[C@H]1CN(C(=O)c1cnc(O)n(C)c1=O)C2 1029417838 LRNZHOWFGKXSPU-RYUDHWBXSA-N 316.361 -0.202 30 20 DBED CN1CC[C@@H](C(=O)N2C[C@@H]3CC[C@H](C2)N3CC#N)S1(=O)=O 1029510927 RRCIGZZLCCWPJM-TUAOUCFPSA-N 312.395 -0.781 30 20 DBED C=CCCn1cc(C(=O)NC2CN(CC(=O)N3CCC3)C2)nn1 1031075051 DFBSWXSBEMNZNU-UHFFFAOYSA-N 318.381 -0.500 30 20 DBED C=C(Cl)CN1C[C@@H]2C[C@H]1CN2C(=O)CN1CC(=O)NC1=O 1032689285 WKRRBQZSGHHUEZ-UWVGGRQHSA-N 312.757 -0.424 30 20 DBED Cn1c(=O)ccn(CC(=O)N[C@H]2CCCCN(CC#N)C2)c1=O 1034231248 LFTLRDVCULHOSK-LBPRGKRZSA-N 319.365 -0.959 30 20 DBED CC#CCN1CCO[C@@H](CNC(=O)c2ccc(C(N)=O)cn2)C1 1035619400 JTUKJENWXUOFCG-ZDUSSCGKSA-N 316.361 -0.366 30 20 DBED C=CCCn1cc(C(=O)NC[C@@H]2CCN2[C@H](CC)C(N)=O)nn1 1038790175 OQSKQEJFLGJRAO-WCQYABFASA-N 320.397 -0.078 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@]1(O)CCN(C(=O)C#CC2CC2)C1 1039720471 ALYHTKILHVAZTQ-DYVFJYSZSA-N 318.373 -0.482 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)Cc3cnoc3)C2)cn1 1041294473 MVRGFOJMXRYKFF-ZIAGYGMSSA-N 313.317 -0.150 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)c2cnn(C)c2OC)C1 1041956334 GJYZOFQVPTYZKD-UHFFFAOYSA-N 322.365 -0.302 30 20 DBED CCOCCC(=O)NCC1(O)CN(C(=O)CSCC#N)C1 1042003513 KPKSDCWKYKUELN-UHFFFAOYSA-N 315.395 -0.641 30 20 DBED C#CCCCCC(=O)NCC1(O)CN(C(=O)CN2CCCC2)C1 1042664053 MMBMXUKGGOIFQM-UHFFFAOYSA-N 321.421 -0.035 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)[C@H]2CO[C@H](C)C2)C1 1043037011 XAEQBHLWXVCTRU-CHWSQXEVSA-N 324.377 -0.859 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)[C@H](C)CCOC)C1 1043167505 WRIJFUFUJSUKIN-GFCCVEGCSA-N 314.382 -0.449 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)C[C@@H]2CCN(C)C2)C1 1044000383 GUXNAJYZPSCULH-RYUDHWBXSA-N 308.382 -0.823 30 20 DBED N#Cc1nccc(N2C[C@H](O)[C@H](NC(=O)c3ncccn3)C2)n1 1044129475 BRNXAGXDOIHUEO-ZJUUUORDSA-N 311.305 -0.882 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)[C@H](C)c2cncnc2)C1 1045125689 AGSQBDMRLPHEKN-WDEREUQCSA-N 317.349 -0.571 30 20 DBED C=CCCCC(=O)NCC1(O)CN(C(=O)c2cnn(C)c2N)C1 1045450805 CZPUQEUQBCOVHB-UHFFFAOYSA-N 321.381 -0.338 30 20 DBED C[C@H]1COCC[C@H]1C(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1046225172 QXSYRVOAHDWRRK-GXTWGEPZSA-N 320.389 -0.238 30 20 DBED N#Cc1nc(=N[C@H]2C[C@H](CNC(=O)[C@@H]3COC(=O)N3)C2)cc[nH]1 1046808925 MKUYEHQWKSIPST-GUBZILKMSA-N 316.321 -0.815 30 20 DBED N#Cc1nccnc1N[C@H]1C[C@H](CNC(=O)[C@@H]2CCNC2=O)C1 1046982385 LAHJTAOCXJFWKN-GMTAPVOTSA-N 314.349 -0.209 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCn3c(cnc3C)C2)C1 1047527354 DEKHCZLWDRMTJO-BPUTZDHNSA-N 316.405 -0.109 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(C)c2)C1 1048214843 TUDHGHSPGNNRGV-STQMWFEESA-N 322.365 -0.734 30 20 DBED CC(C)C#CC(=O)N(C)[C@H]1CN(C(=O)CSCC#N)C[C@@H]1O 1048799241 WXRJPUMOKHCOPV-STQMWFEESA-N 323.418 -0.067 30 20 DBED C=CCC(C)(C)C(=O)N(C)[C@H]1CN(C(=O)CC(N)=O)C[C@@H]1O 1048862260 WKYWMABTDVDRTD-QWRGUYRKSA-N 311.382 -0.506 30 20 DBED N#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)CN1CCOCC1=O 1049521083 FSAUSBHMMIOZJN-STQMWFEESA-N 306.366 -0.566 30 20 DBED N#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC(=O)NC(=O)N1 1049757117 ZECSGKSUJUEKSP-GARJFASQSA-N 305.338 -0.827 30 20 DBED CC(C)C#CC(=O)N[C@@H](C)[C@@H]1CCN(C(=O)Cn2ncnn2)C1 1050809960 WNTLCNJKCNBDKM-QWHCGFSZSA-N 318.381 -0.314 30 20 DBED N#CCN1CCOC[C@H]1CNC(=O)c1cccc2nn[nH]c12 1050934268 MUCYLEIRZVOVKY-SNVBAGLBSA-N 300.322 -0.088 30 20 DBED N#CCN1CCOC[C@@H]1CNC(=O)[C@H]1CCc2cncn2C1 1050991103 UTLNAZNAKFOKLQ-JSGCOSHPSA-N 303.366 -0.214 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H](C)[C@H](CNC(=O)C(C)C)C1 1052391304 LCHQKOKFJUJOLI-QWHCGFSZSA-N 307.394 -0.007 30 20 DBED C[C@@H]1CN(c2nccnc2C#N)C[C@H]1CNC(=O)c1nc[nH]n1 1052981686 SXGACIIESIRAOM-NXEZZACHSA-N 312.337 -0.031 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)[C@H]1C[C@@H]1C(=O)OC)CCO2 1053186420 YXLORQUPLXCBDS-STQMWFEESA-N 306.362 -0.268 30 20 DBED C=CCCN1CC2(C1)CN(C(=O)[C@H]1CN(C)CCO1)CCO2 1053202167 JLBCFIFQUUQPSI-CQSZACIVSA-N 309.410 -0.194 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)C3CC(=O)NC(=O)C3)CO2)C1 1053955940 VVNPUUMTLSUCRI-GFCCVEGCSA-N 319.361 -0.978 30 20 DBED C#CCN1CC[C@@]2(CCCN(C(=O)C[C@H]3CC(=O)NC3=O)C2)C1 1054250560 WPBOWAUFDIAUSD-DYVFJYSZSA-N 317.389 -0.013 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@](CO)(NC(=O)c2cocn2)C1 1055834692 ZAEWDBHPOSAETM-QMTHXVAHSA-N 306.322 -0.082 30 20 DBED N#Cc1nccnc1N1CCN(C(=O)c2cncnc2O)CC1 1055936173 RXVGDWMPYXCMER-UHFFFAOYSA-N 311.305 -0.194 30 20 DBED CN1C(=O)CC[C@H]1C(=O)N1CCN(c2cncc(C#N)n2)CC1 1055978591 GPZACCXCNWGCFD-LBPRGKRZSA-N 314.349 -0.382 30 20 DBED CN(c1cnc(C#N)cn1)[C@H]1CCN(C(=O)Cc2nc[nH]n2)C1 1056964383 NSHVNCHBTYYPEE-NSHDSACASA-N 312.337 -0.254 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCN(CCO)C(=O)Cn1cccn1 1056965038 AHKNUTAPJCLSFA-OAHLLOKOSA-N 324.381 -0.853 30 20 DBED N#Cc1cnc(N2CCCN(C(=O)[C@H]3COCCO3)CC2)cn1 1057091967 QFTODGCAPYVAQK-CYBMUJFWSA-N 317.349 -0.198 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)c1nccnc1N 1057170854 DEMGJRXPPJUUCX-UHFFFAOYSA-N 307.354 -0.424 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)[C@H]1C[C@@H]1C(=O)OC 1057170882 FLPZESHNWUADMQ-RYUDHWBXSA-N 312.366 -0.301 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)c1cncnc1O 1057524992 ZOCRCKPXXMQMDX-UHFFFAOYSA-N 320.349 -0.608 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)c1cnn2c1CCC2 1057897791 UQVDDYBDZUEMTE-LLVKDONJSA-N 319.365 -0.460 30 20 DBED Cc1cc(C#N)nc(N[C@H]2CCC[C@@H](NC(=O)C(N)=O)C2)n1 1061125178 OJHKXBRZYFOSIQ-ZJUUUORDSA-N 302.338 -0.019 30 20 DBED CCOCC(=O)NC[C@H]1COCCN1C(=O)c1cc(C#N)c[nH]1 1061236249 LKWNWKLRINYYEP-LBPRGKRZSA-N 320.349 -0.120 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H]1COCCN1C(=O)CCCC 1061516166 TUEFYPDCWNMGFT-CYBMUJFWSA-N 323.393 -0.340 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)C(C)(C)C(N)=O 1061659584 ZNHAAAXINLSQLV-VHSXEESVSA-N 310.354 -0.999 30 20 DBED CC(C)C#CC(=O)N1CCOC[C@H]1CNC(=O)c1nc[nH]n1 1061766192 BUBXFPFXNICLHM-LLVKDONJSA-N 305.338 -0.579 30 20 DBED C=CCCC1(C(=O)NC[C@H]2COCCN2C(=O)C(N)=O)CC1 1061869372 MCAVCVCOXRBOME-NSHDSACASA-N 309.366 -0.438 30 20 DBED N#Cc1ccc(N2[C@H]3CC[C@H]2CN(C(=O)Cn2nccn2)C3)nn1 1061995224 XOQGJSLJXLGEAC-STQMWFEESA-N 324.348 -0.180 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)C[C@@H]2CCNC2=O)CCC1 1063298213 YQBIJLDTOHNNGB-QWRGUYRKSA-N 306.366 -0.173 30 20 DBED CO[C@H](C)C(=O)N1CCO[C@H](CNC(=O)CSCC#N)C1 1064921584 ZWBHOOOCFFOFCP-GHMZBOCLSA-N 315.395 -0.378 30 20 DBED N#Cc1cncc(NC[C@@H]2CCCN2C(=O)[C@H]2CCNC2=O)n1 1064984289 VSDVTIAPHQZCAX-RYUDHWBXSA-N 314.349 -0.113 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)CCCN(C)C)C1 1065556296 GGZWVMACQAZOOM-OLZOCXBDSA-N 310.398 -0.169 30 20 DBED CN(C(=O)C(N)=O)[C@@H]1CCCN(c2ccc(C#N)nn2)CC1 1067607632 FLJAAJXTNSUDKO-LLVKDONJSA-N 302.338 -0.349 30 20 DBED C=CCCC(=O)N1CCOC2(C1)CN(C(=O)Cn1nccn1)C2 1068346403 OJQOJWHRRGUHIH-UHFFFAOYSA-N 319.365 -0.316 30 20 DBED C=CCCC(=O)N[C@H]1COC2(C1)CN(C(=O)c1nc[nH]n1)C2 1068751904 DQJGDNPXWZHBIR-SNVBAGLBSA-N 305.338 -0.129 30 20 DBED C=CCCC1(C(=O)N2CC3(C[C@H](NC(=O)C(N)=O)CO3)C2)CC1 1068992728 NQVAEWVAGJAQHM-NSHDSACASA-N 321.377 -0.296 30 20 DBED CC1(C)CN(C(=O)CC(N)=O)C[C@@H]1Nc1cncc(C#N)n1 1069547841 LADLFPHHXXPTBT-JTQLQIEISA-N 302.338 -0.127 30 20 DBED C=C(C)CN[C@@H]1CN(C(=O)c2cnn[nH]2)C[C@@H]1n1ccnn1 1070224339 AECNGAGLLFDQHM-NEPJUHHUSA-N 302.342 -0.372 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2conc2C)C[C@@H]1n1ccnn1 1070264210 CGKABMQGCZOGCW-OLZOCXBDSA-N 300.322 -0.137 30 20 DBED C=C(C)CN[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1c1cncn1C 1070631647 JETMHYBLYXZFTB-VXGBXAGGSA-N 305.382 -0.244 30 20 DBED CN1CC[C@@H](C(=O)N2C[C@H]3C[C@@H]4CN(CC#N)C[C@]3(C2)O4)C1 1070888918 HPPZTXNCFZXDMK-IXYNUQLISA-N 304.394 -0.237 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1C 1071555812 FCRIXZFCBMKRIQ-NWDGAFQWSA-N 322.369 -0.771 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)COCC)C1 1071922519 UYEZUKYBUJVVFY-NEPJUHHUSA-N 309.366 -0.875 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(CCN([C@@H](C)C(N)=O)C2)C1 1072994719 OPAICEKRVIOZCX-XQQFMLRXSA-N 307.394 -0.014 30 20 DBED C=C(C)CN1CCC2(C1)CN(C(=O)CN1C(=O)CN(C)C1=O)C2 1073412224 GXSPAFAFLUNXRV-UHFFFAOYSA-N 320.393 -0.009 30 20 DBED C=CCN1CCO[C@@H]2CCN(C(=O)CS(C)(=O)=O)C[C@H]21 1074176816 APJSINQRFHXZJY-VXGBXAGGSA-N 302.396 -0.481 30 20 DBED C=CCOCC(=O)N1CCC(O)(CNC(=O)c2ccon2)CC1 1074515574 HTJVDRMUANJUSN-UHFFFAOYSA-N 323.349 -0.040 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(O)(CNC(=O)[C@@H]2CCCN2C)CC1 1074705114 NCFIFBMQEQDKEX-STQMWFEESA-N 322.409 -0.290 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2ccc3c(c2)N(C)C(=O)C3)C1 1077317420 PXWLDAKVZORQPX-UKRRQHHQSA-N 313.357 -0.386 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2ccn(-c3ccncc3)n2)C1 1077366424 HBYJEGKTLFCNTG-HUUCEWRRSA-N 311.345 -0.325 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCCCC(=O)N2)C1 1078082475 NPQNUQNNFKYOEQ-MGPQQGTHSA-N 307.394 -0.380 30 20 DBED CCN(C(=O)C#CC(C)C)C1CN(C(=O)[C@H]2CNC(=O)N2)C1 1079730477 YCNBTHVABFFEMT-GFCCVEGCSA-N 306.366 -0.614 30 20 DBED CCN(C(=O)C#CC1CC1)C1CN(C(=O)[C@H]2COCCN2C)C1 1079737056 VDDOTVXIQXJNCA-OAHLLOKOSA-N 319.405 -0.210 30 20 DBED C#CCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)[C@H]2CCC(=O)N2)C1 1079774569 GMOULCZIJHUULY-WCQYABFASA-N 321.377 -0.637 30 20 DBED CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)C[C@@H]2CCC(=O)N2)C1 1080412588 BVRBEQPFACDFFV-QWRGUYRKSA-N 306.366 -0.126 30 20 DBED CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)[C@]2(C)CCC(=O)N2)C1 1080416491 OHVNHSADPFKMDV-BMIGLBTASA-N 306.366 -0.126 30 20 DBED C[C@@H](C#N)C(=O)NC1(CO)CCN(C(=O)[C@H]2CCOC2)CC1 1080979842 BZWWYLFIPDKBOE-RYUDHWBXSA-N 309.366 -0.348 30 20 DBED CC(=O)N[C@@H](C)C(=O)N1CCC(CO)(NC(=O)[C@@H](C)C#N)CC1 1080982221 WHLQLEAJMDNCOM-QWRGUYRKSA-N 324.381 -0.860 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2n[nH]c(C)c2O)C1 1081413367 GMIBCOIKBNREID-GHMZBOCLSA-N 322.365 -0.061 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)c2cnn(C)n2)C[C@@H]1O 1081464027 VCYUSQWUESCMGY-AAEUAGOBSA-N 319.365 -0.976 30 20 DBED Cc1nonc1C(=O)N1C[C@@H](O)[C@H](CNC(=O)C#CC2CC2)C1 1081474648 SIGOMJNEYXTTOG-VXGBXAGGSA-N 318.333 -0.659 30 20 DBED CCn1cc(CC(=O)N2CCO[C@@H]3CN(CC#N)C[C@@H]32)cn1 1083243021 ITWUMTSADQVPNL-UONOGXRCSA-N 303.366 -0.119 30 20 DBED Cn1cc(C(=O)N[C@@H]2CN(CC#N)C[C@@H]2O)c([C@@H]2CCOC2)n1 1083675137 NIYOLJTZANAXNV-RTXFEEFZSA-N 319.365 -0.778 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2ccc(C(=O)N(C)C)cc2)C1 1083963897 MGBKLSFTDPFEKX-CABCVRRESA-N 315.373 -0.204 30 20 DBED C#CCN1CC[C@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)[C@H]1C 1088782729 IIFKXVZVAUCMBG-KOLCDFICSA-N 314.353 -0.480 30 20 DBED CNC(=O)CC(=O)N[C@H]1CC[C@@H](C)N(c2cnc(C#N)cn2)C1 1089128757 GJDSXBCXMYCJDF-MNOVXSKESA-N 316.365 -0.042 30 20 DBED N#CCN1CC[C@@H](NC(=O)Cc2cn3c(n2)CCCC3)[C@@H](O)C1 1090279753 OWTKHWJHFNXVPI-KGLIPLIRSA-N 317.393 -0.163 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1O 1090494406 CXKKQDHHOJBVEO-ZIAGYGMSSA-N 314.345 -0.341 30 20 DBED C#CCN1CC[C@H](NC(=O)c2c(OC)ccnc2O)[C@H](O)C1 1090731790 WJCKQBGZHMINBB-WDEREUQCSA-N 305.334 -0.406 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2cnn3cc[nH]c23)[C@H](O)C1 1090764087 QGSVXLMASOGSMF-QWHCGFSZSA-N 301.350 -0.149 30 20 DBED C[C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1Nc1ccc(C#N)cn1 1090955658 ZLFZMNIJTRCRNE-MWLCHTKSSA-N 302.338 -0.120 30 20 DBED CC(=O)N1CC(C(=O)N2CCC(OC3CN(CC#N)C3)CC2)C1 1093530474 BWYVKIQCNJRVKE-UHFFFAOYSA-N 320.393 -0.320 30 20 DBED Cn1ncnc1COCC(=O)NCCN=c1cc[nH]cc1C#N 1093828792 DOUAYGUJAVYPFW-UHFFFAOYSA-N 315.337 -0.751 30 20 DBED CCN1CCOC[C@H]1C(=O)NCCCNc1ccc(C#N)nn1 1094654481 NQMBXKMRURGZLY-ZDUSSCGKSA-N 318.381 -0.013 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)Cn3ccnc3C)CC2=O)C1 1094817242 KWFFXIMPHLIGNE-CYBMUJFWSA-N 317.393 -0.221 30 20 DBED CCN(CCCNC(=O)[C@H]1C[C@H]1C(N)=O)c1cncc(C#N)n1 1095971657 VWUVEPQRAWWBIK-NEPJUHHUSA-N 316.365 -0.198 30 20 DBED N#Cc1nc(=N[C@H]2C[C@H](NC(=O)CO[C@H]3CCOC3)C2)cc[nH]1 1097071151 FNXMAUNZAJTNBV-SRVKXCTJSA-N 317.349 -0.365 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CN(C)CCO1)N=c1cc[nH]cc1C#N 1097769021 XUFAAWSYQGUOPJ-FZMZJTMJSA-N 303.366 -0.378 30 20 DBED C[C@H](CNC(=O)CCn1ccnn1)Nc1cnc(C#N)cn1 1097779889 QMYIAKSAKFBPAW-SNVBAGLBSA-N 300.326 -0.053 30 20 DBED C[C@H](CNC(=O)CC1CS(=O)(=O)C1)Nc1cncc(C#N)n1 1098124220 RPLZFFHTYZQEGB-SECBINFHSA-N 323.378 -0.300 30 20 DBED Cc1cc(C#N)nc(N[C@@H](C)CNC(=O)[C@@H]2CN(C)C(=O)N2)n1 1098213499 JKFGGVOSPJMDEB-ONGXEEELSA-N 317.353 -0.403 30 20 DBED COC[C@H](OC)C(=O)NCC[C@H](C)N=c1cc[nH]c(C#N)n1 1099677172 PVRXWASCFPNFBA-QWRGUYRKSA-N 307.354 -0.262 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)C2=CCOCC2)[C@@H](O)C1 1099783022 KIDZSHLJJGMCMV-KBPBESRZSA-N 323.393 -0.813 30 20 DBED C#CCCCCC(=O)N[C@H]1CCN(CC(=O)NCC)C[C@@H]1O 1099785198 BTPZSMKSDZPNMM-KBPBESRZSA-N 309.410 -0.133 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)CCNS(C)(=O)=O)[C@H](O)C1 1099860949 KJWMBRCFNFZRFX-NWDGAFQWSA-N 319.427 -0.947 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)CCS(C)(=O)=O)[C@H](O)C1 1099894599 MZCGVYXJVVODAP-VXGBXAGGSA-N 304.412 -0.451 30 20 DBED C#CCN1CC[C@H](NC(=O)CCNC(=O)C(C)(C)C)[C@H](O)C1 1099942169 NJUUJAKBCJKDKX-QWHCGFSZSA-N 309.410 -0.277 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)Cc2nonc2C)[C@@H](O)C1 1100055589 FYKQRNJATPKPJK-JSGCOSHPSA-N 324.381 -0.325 30 20 DBED C[C@H](CC(N)=O)C(=O)NC[C@H]1CCCN1c1cnc(C#N)cn1 1100886770 OTNDSIDKURFQRN-ZYHUDNBSSA-N 316.365 -0.055 30 20 DBED CN(CCNc1nccnc1C#N)C(=O)c1nc2ncccn2n1 1101723421 BTFGKJKBPHUJLJ-UHFFFAOYSA-N 323.320 -0.030 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)c1cn(C)c(O)n1 1101939841 IHQRJMFKGIUOSL-UHFFFAOYSA-N 301.310 -0.607 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN([C@H](C)C(=O)NC)C[C@H]1C 1101960795 MHVPDGBAFHNRKH-MGPQQGTHSA-N 309.410 -0.155 30 20 DBED CN(CCNc1cncc(C#N)n1)C(=O)c1ccc(C(N)=O)[nH]1 1101969644 FURVIGAOAGXWHO-UHFFFAOYSA-N 313.321 -0.041 30 20 DBED N#Cc1nccnc1N1CC[C@H](CCNC(=O)CC(N)=O)C1 1102308250 IEUGOIPQVGWYDI-JTQLQIEISA-N 302.338 -0.444 30 20 DBED C[C@H](NC(N)=O)C(=O)NC[C@H](C)CNc1cnc(C#N)cn1 1103934415 BNESHVYQLAPPFG-BDAKNGLRSA-N 305.342 -0.431 30 20 DBED C[C@H](NC(N)=O)C(=O)NC[C@H](C)CNc1ccc(C#N)nn1 1103935027 PYZITQZUVHJOBT-BDAKNGLRSA-N 305.342 -0.431 30 20 DBED CCc1nc(C#N)cc(N2CCO[C@H](CNC(=O)COC)C2)n1 1104281851 KEXPSGYRIQRGLJ-GFCCVEGCSA-N 319.365 -0.122 30 20 DBED C#CCNC(=O)CNCC[C@@H]1CN(C(=O)c2cnon2)C[C@H]1C 1104818307 KSNQVYKTLUKQSP-VXGBXAGGSA-N 319.365 -0.493 30 20 DBED C=CCC(C)(C)C(=O)N1CC(n2cc(CNCC(N)=O)nn2)C1 1105335367 YEKUOEBQPUKHGG-UHFFFAOYSA-N 320.397 -0.161 30 20 DBED CNC(=O)C1(C(=O)N(C)CCN(C)c2ccnc(C#N)n2)CC1 1105431420 AARVUSORMIGGSP-UHFFFAOYSA-N 316.365 -0.231 30 20 DBED Cc1ncoc1C(=O)NC[C@@H](O)CNc1ccc(C#N)nn1 1105807172 BLTIQJRNEGINAF-JTQLQIEISA-N 302.294 -0.153 30 20 DBED Cc1cc(=NC[C@H](O)CNC(=O)Cc2ncc[nH]2)c(C#N)c[nH]1 1105938472 XISSTLPHUHTZDW-LBPRGKRZSA-N 314.349 -0.462 30 20 DBED Cc1n[nH]cc1C(=O)NC[C@@H](O)CNc1nccnc1C#N 1106062049 AVBJVWKCMLGVEI-VIFPVBQESA-N 301.310 -0.417 30 20 DBED C=CCCNC[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@H]1C 1106346588 JDSYXVZOZPMDNT-CHWSQXEVSA-N 307.398 -0.158 30 20 DBED C[C@H](NC(N)=O)C(=O)NC/C=C\CNc1nccnc1C#N 1107168315 DPTGBIGVLFTXEP-XADBCAIWSA-N 303.326 -0.511 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC/C=C/CN=c1cc[nH]c(C#N)n1 1107573179 IBYUVULGOBEIAO-XGACYXMMSA-N 324.388 -0.048 30 20 DBED COCCn1cc(C(=O)NC[C@@]2(C)CN(CC#N)CCO2)nn1 1107940270 RIVQHYHUNHNOAD-AWEZNQCLSA-N 322.369 -0.731 30 20 DBED C=CCN1CCO[C@](C)(CNC(=O)[C@@H]2CCS(=O)(=O)N2)C1 1108402415 DCDWZCXXNMHOLT-WCQYABFASA-N 317.411 -0.929 30 20 DBED C[C@@H](CNc1nccnc1C#N)NC(=O)C[C@H]1CCNC1=O 1108573717 FFXPLPJEHAZCAZ-VHSXEESVSA-N 302.338 -0.209 30 20 DBED C[C@@H](CNc1cncc(C#N)n1)NC(=O)CN1CCCNC1=O 1108788231 CWUGVEBQGMFAHS-JTQLQIEISA-N 317.353 -0.320 30 20 DBED N#Cc1cnc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)CCNC(N)=O)cn1 1109709167 WIPIWPHCQNDTLM-DVYJOKAKSA-N 315.337 -0.900 30 20 DBED CN(C)CCC(=O)N[C@@H]1[C@H]2C[C@H]1N(c1ccnc(C#N)n1)C2 1109739587 CUVQQFOVTMWJCI-FIXISWKDSA-N 300.366 -0.007 30 20 DBED CN1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCC#N)C1 1110101458 PPSQLEZJRSUHRD-CRWXNKLISA-N 319.409 -0.701 30 20 DBED Cn1nnc(CN2[C@H]3CC[C@@H]2C[C@H]3NC(=O)CSCC#N)n1 1110305215 KARLNOFBJHVXCR-MXWKQRLJSA-N 321.410 -0.312 30 20 DBED CC(=O)NCC(=O)N1C[C@H](CN=c2cc[nH]c(C#N)n2)[C@@H](C)C1 1111233224 PTTPQPROSXIAMK-JQWIXIFHSA-N 316.365 -0.587 30 20 DBED N#Cc1c[nH]ccc1=NCCN(CCO)C(=O)[C@@]1(F)CCOC1 1111546425 JXSMINNJCFRELQ-OAHLLOKOSA-N 322.340 -0.263 30 20 DBED COCC(=O)NC[C@@H]1COCCN1c1nc(C)cc(C#N)n1 1111655319 PHXFHGSEZZOIRP-GFCCVEGCSA-N 305.338 -0.376 30 20 DBED CN(C[C@H]1CCCN1C(=O)CNC(N)=O)c1cnc(C#N)cn1 1112780033 PFLWHIVNYFNDBI-LLVKDONJSA-N 317.353 -0.556 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)CCc2ncc[nH]2)CC1 1112812206 PBCCEGPUMUUDJL-ZDUSSCGKSA-N 317.393 -0.376 30 20 DBED CC(C)C#CC(=O)N1CCN(CCN(C)S(C)(=O)=O)CC1 1112833079 FVDNQAUYRPUTFU-UHFFFAOYSA-N 315.439 -0.319 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCN([C@H]2CCN(CC)C2=O)CC1 1112846765 XLGPTGMLKOIVPU-KBPBESRZSA-N 307.394 -0.210 30 20 DBED C[C@@H](NC(=O)CCn1cnnn1)[C@@H](C)Nc1cncc(C#N)n1 1113123885 FVHDCOZMGRDLMC-NXEZZACHSA-N 315.341 -0.270 30 20 DBED C=CCN1CC[C@@H](N2C[C@H]3[C@H](NC(=O)COCC)[C@H]3C2)C1=O 1113823523 XHAGVSMTMGTPCX-COMQUAJESA-N 307.394 -0.144 30 20 DBED C=C[C@](C)(O)CC(=O)NC1[C@@H]2CN(Cc3nnnn3C)C[C@@H]12 1114194298 NUQCEPDAYLOMDM-RULNRJAQSA-N 306.370 -0.916 30 20 DBED CO[C@H](C(=O)NC1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]12)C1CC1 1114209055 KGIDHIGBBSJTKO-GYSYKLTISA-N 306.366 -0.902 30 20 DBED C#CCOCCC(=O)N[C@H]1[C@@H]2CN([C@H]3CCCN(C)C3=O)C[C@@H]21 1114268933 SUKNSGKNVAIDCF-KNCOVGOOSA-N 319.405 -0.307 30 20 DBED C=C(C)CN1C[C@H]2[C@H](NC(=O)CNS(=O)(=O)CC)[C@H]2C1 1114364154 RGUGSQFTYHQRGN-PJXYFTJBSA-N 301.412 -0.452 30 20 DBED C#CCN1C[C@@H]2C(NC(=O)CCNC(=O)c3ccncc3)[C@H]2C1 1114366089 KJUIHEHMXFNMSY-KBPBESRZSA-N 312.373 -0.119 30 20 DBED CC(=O)NCC(=O)NCC1[C@@H]2CN(c3nccnc3C#N)C[C@@H]12 1114503578 PZTRQLNIMYHTPH-RYUDHWBXSA-N 314.349 -0.717 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)Cc3cscn3)[C@@H]2C1 1114933180 QSAOKHJSGPGUDN-VXGBXAGGSA-N 318.402 -0.519 30 20 DBED CCn1cc(C(=O)NC2[C@@H]3CN(CC#CCOC)C[C@@H]23)nn1 1115031457 XYOSQLJIUDDCGH-VXGBXAGGSA-N 303.366 -0.392 30 20 DBED C=CCOC[C@H](NC(=O)C[C@@H]1C=CS(=O)(=O)C1)C(=O)OC 1116895195 ZKPBCESSPXVQAY-QWRGUYRKSA-N 317.363 -0.205 30 20 DBED C#CCSCCNC(=O)C(=O)N[C@@H]1CC[C@@H]2CNC[C@@H]2C1 1117978614 MPWMHPZJOZYELR-FRRDWIJNSA-N 309.435 -0.027 30 20 DBED CON(C)C(=O)[C@H](C)NC(=O)C(=O)Nc1ccc(C#N)cn1 1118879164 SMPRMPZHPSVEDP-QMMMGPOBSA-N 305.294 -0.584 30 20 DBED Cn1cnc(CNC(=O)C(=O)NCc2cc(C#N)ccc2F)n1 1119785128 MZRBHPUFXHHUFV-UHFFFAOYSA-N 316.296 -0.242 30 20 DBED C[C@@H](C#N)C(=O)NC1CC2(C1)CC(N[C@H]1CCC(=O)NC1=O)C2 1120855167 XGAOPVSRHFJACD-NBVNCLANSA-N 318.377 -0.032 30 20 DBED N#Cc1nccnc1N[C@@H](CO)CNC(=O)C1CCOCC1 1120985579 DLVCSXVALQEZIS-LLVKDONJSA-N 305.338 -0.336 30 20 DBED N#Cc1nc(N[C@@H](CO)CNC(=O)CC(N)=O)sc1Cl 1121258435 RIPWKICIOXJNLQ-RXMQYKEDSA-N 317.758 -0.567 30 20 DBED C[C@](O)(CC(=O)NC[C@@H](CO)Nc1ccc(C#N)nn1)C1CC1 1121338703 AZZKKMXXYNCMBI-WFASDCNBSA-N 319.365 -0.212 30 20 DBED CC(C)(C(N)=O)C(=O)NC[C@H](CO)Nc1ncccc1C#N 1122197733 JHJAJWSGDRSPEC-SNVBAGLBSA-N 305.338 -0.646 30 20 DBED CC(=O)NCC(=O)N1CC[C@H](Nc2cncc(C#N)n2)[C@H]1C 1122903449 MSXXYNDKKMYQOB-SKDRFNHKSA-N 302.338 -0.114 30 20 DBED N#Cc1cncc(NC[C@H]2CC[C@H](NC(=O)CNC(N)=O)C2)n1 1123718908 JOQQRDSIRFTQFN-UWVGGRQHSA-N 317.353 -0.287 30 20 DBED N#CCSCC(=O)NCCNCc1nnc2n1CCOC2 1123792093 HTJYLYWTTLOBQU-UHFFFAOYSA-N 310.383 -0.729 30 20 DBED CSCCC(=O)N(C)C[C@H](O)CN=c1cc[nH]c(C#N)n1 1124076461 JIIQCOXZRRCWNA-SNVBAGLBSA-N 309.395 -0.246 30 20 DBED C[C@H](O)CN1CCn2ncc(CNC(=O)CSCC#N)c2C1 1128214563 YDTYUJIEIUDYQH-NSHDSACASA-N 323.422 -0.048 30 20 DBED C#CCNC(=O)CNCCNC(=O)CCc1cncc(C)c1 1131135736 CZBKALGZJWJLPA-UHFFFAOYSA-N 302.378 -0.222 30 20 DBED C[C@@H](C[C@@H](C)NCC(=O)NCC#N)NC(=O)Cc1cc[nH]n1 1133974552 NHNKTEYDZFXXDI-MNOVXSKESA-N 306.370 -0.535 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1cc(C)c(C(N)=O)cn1 1134090329 KHFODDJBVGYYDB-UHFFFAOYSA-N 319.365 -0.889 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)C[C@@H](C)NCc1ncccn1 1134131318 UTONFCIJGOXETD-CHWSQXEVSA-N 317.393 -0.011 30 20 DBED C=CCN[C@@H](C)C[C@@H](C)NC(=O)Cn1ccc(=O)n(C)c1=O 1134539793 FEZQUYUKZVHAOH-NWDGAFQWSA-N 308.382 -0.394 30 20 DBED Cc1ncc(C(=O)N[C@@H](C)C[C@H](C)NCC(=O)NCC#N)n1C 1135301852 BACFRGQNTJKQDV-QWRGUYRKSA-N 320.397 -0.145 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)CN(CC)CC 1135705859 KHQSQQJYBBHVLZ-KBPBESRZSA-N 310.442 -0.050 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)C(=O)N1CCC[C@H]1CC 1147028037 NTUJHEMKWFDNAV-QWHCGFSZSA-N 324.425 -0.216 30 20 DBED C=CCOCCNCCNC(=O)c1cccn2c(O)nnc12 1147665261 WSGUJDJVHYTWFV-UHFFFAOYSA-N 305.338 -0.043 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CN(CC(=O)N2CCC2)CCCO1 1149398165 JAWDZSRANBDYIG-CHWSQXEVSA-N 308.382 -0.415 30 20 DBED C=CCOCCN1CCCO[C@H](CNC(=O)c2cnn[nH]2)C1 1149936783 NVAFJIMZLUKMBM-GFCCVEGCSA-N 309.370 -0.172 30 20 DBED C#CCNC(=O)CNCCNC(=O)CCOc1ccccc1 1150923103 NWBAUFYAISFIGE-UHFFFAOYSA-N 303.362 -0.089 30 20 DBED C#CCNC(=O)CC(=O)NCCCNCc1nc(C(C)C)no1 1156857146 FLEOWBFDRDSPQY-UHFFFAOYSA-N 321.381 -0.072 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)[C@@H]2CCN(C)C2=O)C1=O 1164296430 YTUBVIFYHAQADY-STQMWFEESA-N 322.409 -0.653 30 20 DBED C[C@@H](C(=O)NCCCNCC(=O)NCC#N)c1cccnc1 1171493512 LXPLESOUXHUUKG-GFCCVEGCSA-N 303.366 -0.079 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CC(=O)N(C)C2)[C@H]1C 1178817345 AOSSHYNPSBWNFS-AVGNSLFASA-N 322.409 -0.654 30 20 DBED Cc1noc(C(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)c1C 1183516444 KMRAMHOEUDWHPU-LLVKDONJSA-N 305.338 -0.265 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3cocn3)[C@@H]2C1 1187246599 NZECIEGARODOEM-WCQYABFASA-N 302.334 -0.430 30 20 DBED COCC#CCN1C[C@@H]2CCN(C(=O)c3cncnc3O)[C@@H]2C1 1188293004 GPLUGWGQROGFEG-GXTWGEPZSA-N 316.361 -0.022 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@H]1CCN(C(=O)c2cn(C)cn2)C1 1189650432 DAVDRSMTXQBFHU-OLZOCXBDSA-N 317.393 -0.296 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@@H]1CCN(C(=O)c2[nH]nnc2C)C1 1191675292 VGACRNYSILRVKX-NWDGAFQWSA-N 318.381 -0.603 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)CCOCC)C1 1191734455 ROXZOKPDVSSPMI-YNEHKIRRSA-N 313.398 -0.735 30 20 DBED CN(CC#N)[C@H]1CCN(C(=O)CNC(=O)C2CCOCC2)C1 1192917088 JDMKSXIFHRPQBL-ZDUSSCGKSA-N 308.382 -0.415 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)CNC(=O)c2ccoc2)C1 1193165068 BNIKTOWCCIQYTH-CHWSQXEVSA-N 307.350 -0.253 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)C2(N(C)C)CCC2)C1 1193754769 ASCXFUCJRJICSZ-ZIAGYGMSSA-N 309.410 -0.718 30 20 DBED C=CCn1cccc1C(=O)N[C@@H]1CN(CCOCCO)C[C@H]1O 1193782465 ZJFZGSLOOXSSPP-UKRRQHHQSA-N 323.393 -0.542 30 20 DBED N#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2C2CCC2)C1 1196804463 ZPCKVPACHUYIDJ-REWJHTLYSA-N 320.393 -0.776 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCC(NC[C@@H](O)COC)CC1 1200334705 SATSZJQPNMVXKS-HIFRSBDPSA-N 300.399 -0.099 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)[C@@H]2CCCN2C(N)=O)CCCO1 1202234639 GXAXVGRGQHEDEW-KGLIPLIRSA-N 322.409 -0.240 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)CN(C)C(C)C)CC1 1203925308 MKUMZZVUJDJFMS-UHFFFAOYSA-N 308.426 -0.343 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CCN(C(=O)CCCC(N)=O)CC1 1204075633 BMXUJAAMVNSURM-GFCCVEGCSA-N 322.409 -0.640 30 20 DBED COCC#CCN[C@H]1C[C@H]2CC[C@H]1N(C(=O)c1nnn(C)n1)C2 1204645391 JMTUKPJFQPQCEL-FRRDWIJNSA-N 318.381 -0.557 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)[C@@H]2CCCCN2C)[C@H](C)C1 1207709582 ZDVOCBDIIITFRQ-KFWWJZLASA-N 320.437 -0.343 30 20 DBED Cc1n[nH]cc1C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1208266333 OSJORKQACHZJQH-BXKDBHETSA-N 304.354 -0.592 30 20 DBED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)[C@@H]1CC=CCC1 1211833862 QMCRLUUSGZLFGA-MGPQQGTHSA-N 320.393 -0.202 30 20 DBED COCC#CCN1C[C@@H](NC(=O)[C@H](C)n2cccn2)[C@H](OC)C1 1211891930 UZZIKCKHENJDRQ-RRFJBIMHSA-N 320.393 -0.091 30 20 DBED COCC#CCN1C[C@@H](NC(=O)COCC2CC2)[C@H](OC)C1 1211927174 CVVMIENTTVXMIP-HUUCEWRRSA-N 310.394 -0.122 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)/C(C)=C\C)[C@H](OC)C1 1212106706 FIIQODHPCKMRKP-HBDHAEIGSA-N 307.394 -0.094 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)C#CC(C)C)[C@H](OC)C1 1212241436 QVASDWVQQHPDDR-RRFJBIMHSA-N 319.405 -0.401 30 20 DBED C=CCN1C[C@@H](NC(=O)[C@H](C)CS(C)(=O)=O)[C@H](OC)C1 1213934450 UKJVFBXMLIOYJO-IJLUTSLNSA-N 304.412 -0.332 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1C 1214555834 XBYPTUURGHDZTL-GHMZBOCLSA-N 306.370 -0.833 30 20 DBED CC#CCN[C@@H]1CN(C(=O)CC[C@@H]2NC(=O)NC2=O)C[C@H]1C 1216715875 XCVBMJHMWZQWSK-GRYCIOLGSA-N 306.366 -0.566 30 20 DBED C/C=C(\C)C(=O)N1CCO[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1217621304 ZHPMMFUKGPBZBM-RRDLLQCMSA-N 306.366 -0.496 30 20 DBED CCSCCC(=O)N[C@@H]1CN(CC#CCOC)C[C@@H]1O 1219263642 XTJSWTKCVAAAHR-OLZOCXBDSA-N 300.424 -0.059 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)c2ccc(F)cn2)C1 1219487318 LEXRHKIZCZSLIS-KGLIPLIRSA-N 307.325 -0.355 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)CCc2ncc[nH]2)C1 1219551089 QSIUZARMGVTPTC-OLZOCXBDSA-N 308.382 -0.294 30 20 DBED C=CCCCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCS(=O)(=O)C2)C1 1219964826 NHSVISPJWWNFNF-XQQFMLRXSA-N 316.423 -0.451 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)COC[C@H](C)N2CCCC2)C1 1220377550 CMLKBRHFZPEEJP-ZNMIVQPWSA-N 311.426 -0.165 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CN(CCOC(C)C)C[C@@H]2O)nn1 1220506561 QXBMUPWRPSJCJZ-OCCSQVGLSA-N 323.397 -0.336 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@H](C)NC(=O)c2ccco2)C1 1221022621 GJTAPIIUFRRSCB-TUAOUCFPSA-N 305.334 -0.808 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)Cn2ccnc2)C1 1222098787 PUWRYIHMRWMQLY-ZIAGYGMSSA-N 317.393 -0.398 30 20 DBED N#CCN1CCS(=O)(=O)[C@H](CCNC(=O)c2ccncc2)C1 1230410544 KDXXNVYFZZAXNO-CYBMUJFWSA-N 322.390 -0.176 30 20 DBED C#CCN1CCS(=O)(=O)[C@H](CCNC(=O)[C@@H](C)SC)C1 1230422137 HCVDFZAECIDFID-VXGBXAGGSA-N 318.464 -0.024 30 20 DBED C=CCCCN1CC[C@H]1CN(C)C(=O)Cn1cnc(C(N)=O)n1 1234415990 WVCSQVLJQMGNRB-LBPRGKRZSA-N 320.397 -0.124 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCC[C@@H]1CC(=O)OC)[C@H]1CCCO1 1261154487 MHGZBKFDIOVJGA-FRRDWIJNSA-N 322.361 -0.163 30 20 DBED COCC1(O)CCN(C(=O)C(=O)NCC2(CC#N)CC2)CC1 1261227560 YOCMPCOYEUVASR-UHFFFAOYSA-N 309.366 -0.204 30 20 DBED NC(=O)COc1ccc(C=NN[C@H]2CCS(=O)(=O)C2)cc1 1317719946 DNAXIWNJSXKKPW-NSHDSACASA-N 311.363 -0.339 30 20 DBED CC(C)CNC(=O)CNC(=O)CCN/C(O)=C1/N=CC=CC1=O 1318860621 PHNPGHSTYXFVSJ-PFONDFGASA-N 322.365 -0.209 30 20 DBED N#CCn1cc(NC(=O)C(=O)NCCN2CC=CCC2)cn1 1321134216 ZZKSBKLXAKYZQE-UHFFFAOYSA-N 302.338 -0.277 30 20 DBED C=CCN1CC[C@@H](N2CCN(C(=O)N3CCOCC3)CC2)C1=O 1321164650 KMKWWTWEKPACEI-CQSZACIVSA-N 322.409 -0.157 30 20 DBED C[C@H]1CN(C(=O)C(=O)NC2CCN(CC#N)CC2)CCCO1 1324435790 ZXJYOSKTXBIJMV-LBPRGKRZSA-N 308.382 -0.272 30 20 DBED N#C[C@]1(F)CCN(C(=O)C(=O)N2CC(=O)N[C@@H]3CCCC[C@@H]32)C1 1325190395 YDRSOGOSDMYXKS-JRPNMDOOSA-N 322.340 -0.280 30 20 DBED C[C@@H](N)CNC(=O)C(=O)N1CC(Oc2ccc(C#N)cc2)C1 1325422093 FOFVYXVJGOYCOB-SNVBAGLBSA-N 302.334 -0.389 30 20 DBED CN(C)[C@H]1CCCN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)C1 1326529106 GFCFNWJHIGQGDE-SWLSCSKDSA-N 308.382 -0.584 30 20 DBED COC1(CO)CCN(C(=O)C(=O)Nc2ccc(C#N)cn2)CC1 1326728633 GNQVQSYKXIPLKU-UHFFFAOYSA-N 318.333 -0.108 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](N)C2)CCN1C1CC1 1331966581 WYIRLHFGLGZWOX-WCQYABFASA-N 305.382 -0.865 30 20 DBED N#C[C@H]1CCCN(C(=O)C(=O)NCCCN2CCOCC2)C1 1334534352 FWFOEMMYFDYSMV-CYBMUJFWSA-N 308.382 -0.413 30 20 DBED N#Cc1cccc(NC(=O)C(=O)N2CC[C@H](n3cncn3)C2)n1 1345811376 HKWADMPEHPWMOV-NSHDSACASA-N 311.305 -0.043 30 20 DBED COCC#CC(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1 1350990215 IKMHUWSRLQNJME-LBPRGKRZSA-N 300.380 -0.337 30 20 DBED C[C@@H](Cn1cccn1)NC(=O)CCn1cc(C#N)c(O)nc1=O 1362045283 SYHWUANOEGXUBO-JTQLQIEISA-N 316.321 -0.388 30 20 DBED CC(=O)NCC(=O)N1CCCN(C(=O)NC[C@@H](C)C#N)CC1 1365135078 PRLAVRZKHOUTRH-NSHDSACASA-N 309.370 -0.474 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 1371708528 WBLMVPBABZOZCU-HHHUOAJASA-N 322.365 -0.810 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CCN(C(=O)c2cnn(C)c2N)C1 1372076327 KTKPKZZSRZCPSU-ZJUUUORDSA-N 304.354 -0.165 30 20 DBED C[C@H](NC(=O)CCN1CCOCC1)C1CN(C(=O)[C@H](C)C#N)C1 1383296639 OBXXHMRRCNRCPL-OLZOCXBDSA-N 322.409 -0.169 30 20 DBED COc1nn(C)cc1C(=O)N1CC[C@H](NC(=O)[C@@H](C)C#N)C1 1385870003 LOTLXKIQHJZAMR-UWVGGRQHSA-N 305.338 -0.081 30 20 DBED CCCS(=O)(=O)CC(=O)NC[C@H]1CCN1C(=O)[C@@H](C)C#N 1389638841 DDVCUPGTBQFWSG-WDEREUQCSA-N 315.395 -0.312 30 20 DBED CCOc1nc(C(=O)NC[C@H](O)CNC(=O)[C@H](C)C#N)co1 1392142299 HGYPBEBZKPMSJK-RKDXNWHRSA-N 310.310 -0.560 30 20 DBED Cc1nc(CC(=O)NC[C@@H](O)CNC(=O)[C@@H](C)C#N)cs1 1399859941 FHDVIROLVQHLRP-GZMMTYOYSA-N 310.379 -0.253 30 20 DBED CC(=O)NCC(=O)NC[C@H]1CCN1C(=O)c1cc(C#N)c[nH]1 1400382998 YXAWURTVUDXCJQ-LLVKDONJSA-N 303.322 -0.647 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)CCn3ccnn3)[C@H]2C1 1408021383 UXYVRUWLZBPKMJ-DCQANWLSSA-N 302.338 -0.599 30 20 DBED Cc1cc(C)n(CC(=O)NC[C@@H](C)NC(=O)[C@@H](C)C#N)c(=O)n1 1408308751 VMJDWPANOWACFN-GXSJLCMTSA-N 319.365 -0.359 30 20 DBED C[C@@H](CC(N)=O)C(=O)N1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 1414560918 VXEQKUMZIMZUJE-GXSJLCMTSA-N 317.349 -0.271 30 20 DBED C[C@H](CNC(=O)[C@H](C)C#N)NC(=O)c1cnc2[nH]nnc2c1 1416824279 WRPXRULSJFGDDJ-HTQZYQBOSA-N 301.310 -0.253 30 20 DBED C[C@H](CNC(=O)c1cc(C#N)c[nH]1)NCc1nc(=O)n(C)[nH]1 1419715355 RQYCOOJCMDTIEY-MRVPVSSYSA-N 303.326 -0.784 30 20 DBED C[C@@H](C#N)C(=O)N(C)C[C@@H]1CCCN1C(=O)CCn1cnnn1 1423742782 VWGSXGMUGCBDQY-RYUDHWBXSA-N 319.369 -0.328 30 20 DBED Cc1c(C(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H](C)C#N)C2)nnn1C 1429111234 KFKAWXZVBZSZRL-INTQDDNPSA-N 304.354 -0.092 30 20 DBED CCN1CCOC[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H](C)C#N)C1 1430179985 IFXFZOGANAPXCR-ZDEQEGDKSA-N 308.382 -0.370 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)[C@@H]2CCN(C)C(=O)C2)CC1 1432215011 AYNMNCUTPLCKNY-WDEREUQCSA-N 306.366 -0.221 30 20 DBED C=C(Cl)CNC[C@H](O)CNC(=O)c1cn(C)c(=O)n1C 1439059928 UALZIJXRQNJADR-VIFPVBQESA-N 302.762 -0.843 30 20 DBED C=C(Cl)CNC[C@H](C)CNC(=O)[C@@H]1CC(=O)NC(=O)N1 1444375728 KLRVXUJQNYUMJA-CBAPKCEASA-N 302.762 -0.321 30 20 DBED CC(C)[C@@H](CNC(=O)CN1CCOCC1)NC(=O)[C@@H](C)C#N 1451935976 DQHASPPQVZBOFP-QWHCGFSZSA-N 310.398 -0.265 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)CCn2cccn2)C1 1452627674 ZIIOYUYAJSWYLA-IJLUTSLNSA-N 305.338 -0.879 30 20 DBED CC(C)S(=O)(=O)CC(=O)N1CC[C@@H](NC(=O)[C@H](C)C#N)C1 1454048720 RBIGWXIJAFUXFX-GHMZBOCLSA-N 315.395 -0.314 30 20 DBED CC(F)(F)C(=O)NC[C@H](O)CNC(=O)c1ccc(C#N)[nH]1 1457987156 WLURMOIQHNYFHU-MRVPVSSYSA-N 300.265 -0.252 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NCCN2CCCS2(=O)=O)CC1 1483723628 SZOJWSQAJJFAGH-NSHDSACASA-N 314.411 -0.580 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CCN(C(=O)c2cc(C(N)=O)c[nH]2)C1 1495286272 TUDNSMXXDGCENC-ZJUUUORDSA-N 317.349 -0.148 30 20 DBED C=C(Cl)CN1CC(O)(CNC(=O)C2CN(C(C)=O)C2)C1 1500823521 HNDHXCRAJVUCEQ-UHFFFAOYSA-N 301.774 -0.620 30 20 DBED CCOCC(=O)NC[C@]1(O)CCN(C(=O)c2c[nH]c(C#N)c2)C1 1537292341 JSGFFSVLOQCQCD-OAHLLOKOSA-N 320.349 -0.384 30 20 DBED COC(=O)[C@H]1CN(C(=O)c2ccc(C#N)n2C)C[C@H]1C(=O)O 1571085275 YKQBYKFJDOAINK-ZJUUUORDSA-N 305.290 -0.157 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C)/C=C/C(=O)O)C1=O 1588832430 NOKMSRGBAGXIKM-WTSVBCDHSA-N 309.278 -0.891 30 20 DBED COC[C@@]1(C(=O)O)CN(C(=O)[C@@]2(C#N)CCCOC2)CCO1 1593974454 MLPJOKYEAWEXAL-ZIAGYGMSSA-N 312.322 -0.365 30 20 DBED COC[C@@]1(C(=O)O)CN(S(=O)(=O)CC(C)(C)C#N)CCO1 1593984606 RQXJDGOSVURIGZ-GFCCVEGCSA-N 320.367 -0.332 30 20 DBED COCCN(CCC(=O)O)C(=O)C(=O)N1CC[C@@](F)(C#N)C1 1594001102 KTJVNFQYGGJKRP-CYBMUJFWSA-N 315.301 -0.600 30 20 DBED N#CCN(CCC(=O)O)C(=O)Cn1nc2n(c1=O)CCCCC2 1601070879 YPIHKPLITIXUQN-UHFFFAOYSA-N 321.337 -0.402 30 20 DBED N#CCN(CCC(=O)O)C(=O)C1CC2(C1)CS(=O)(=O)C2 1601071024 PEAWSHMHWPTIIF-UHFFFAOYSA-N 300.336 -0.362 30 20 DBED C#CC[C@@H](NC(=O)c1ccc(-n2[nH]c(O)nc2=O)cc1)C(=O)O 1602691841 BLRDXGXCTJBGQC-SNVBAGLBSA-N 316.273 -0.528 30 20 DBED C=C(CCC(=O)OC)C(=O)N1CCC[C@H]1C(=O)NCC(=O)O 1602787623 NQPLJVRIFAKVFX-JTQLQIEISA-N 312.322 -0.312 30 20 DBED NC(=O)CON=C1CCCc2c1cnc(O)c2-c1nn[nH]n1 1609503800 RCIQTTQQNJNOTQ-UHFFFAOYSA-N 303.282 -0.490 30 20 DBED COc1ccc(C(=O)N(CC#N)CC(=O)O)cc1-n1cnnn1 1610313446 CXKDYIFMCARDFR-UHFFFAOYSA-N 316.277 -0.279 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)[C@@H]2CCCS2(=O)=O)C1 1713837819 HQKHDZVHFBVIFD-OLZOCXBDSA-N 316.423 -0.043 30 20 DBED C#CCNC(=O)CN1CCN(CCNC(=O)CCC2CC2)CC1 1752362112 CJTJUZXYGAIAKX-UHFFFAOYSA-N 320.437 -0.340 30 20 DBED N#CCNC(=O)CN1CCC2(CC1)C[C@H]2NC(=O)c1nc[nH]n1 1752434615 HXTHWWAPZUZQPA-SNVBAGLBSA-N 317.353 -0.971 30 20 DBED N#CCNC(=O)CN1CCCC[C@@H]1CNC(=O)[C@@H]1CCCO1 1752813323 BIQBEKVNAKCVBV-OLZOCXBDSA-N 308.382 -0.224 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)NC[C@H](C)NC[C@@H](C)O 1752920265 AICMWYLAKXVVDZ-WDEREUQCSA-N 300.403 -0.275 30 20 DBED C=CCNC(=O)CN1CC(NC(=O)Cc2cnn(CC)c2)C1 1753391226 LCKBJNACLVQDGQ-UHFFFAOYSA-N 305.382 -0.452 30 20 DBED CCO[C@H](C(=O)N(C)[C@@H]1CCN(CC(=O)NCC#N)C1)C1CC1 1753438093 RVRIAXVJVSLFPX-HIFRSBDPSA-N 322.409 -0.026 30 20 DBED C=CCN1CCO[C@H](CNC(=O)C2(S(C)(=O)=O)CCC2)C1 1753656918 WCUZBSFHFAFQMD-GFCCVEGCSA-N 316.423 -0.043 30 20 DBED COc1cc(C(=O)N[C@H](C)CN(C)CC(=O)NCC#N)ncn1 1754310816 UFRNOYOEAYNLDV-SNVBAGLBSA-N 320.353 -0.825 30 20 DBED C=CCCn1cc(C(=O)NCC2(N[C@H](C)C(N)=O)CC2)nn1 1754528511 KXKZRBDVAMFDKY-SNVBAGLBSA-N 306.370 -0.420 30 20 DBED C#CCN1CC[C@](O)(CNC(=O)c2csc(NC(C)=O)n2)C1 1754753449 ZODWBPIUAPHFSF-AWEZNQCLSA-N 322.390 -0.099 30 20 DBED C=C(C)CCNC1CCN(CCNC(=O)c2nnn(C)n2)CC1 1754850921 ZHJCKTLQXXVHLK-UHFFFAOYSA-N 321.429 -0.040 30 20 DBED C#CCCN1CCC[C@](CO)(NC(=O)CCn2cnnn2)C1 1754859154 QNRLFVLTTRDESL-AWEZNQCLSA-N 306.370 -0.970 30 20 DBED C#CCN1CC(CCO)(NC(=O)[C@H]2CCn3c(cnc3C)C2)C1 1755336180 JTLZHZCFUMWHRX-AWEZNQCLSA-N 316.405 -0.060 30 20 DBED CSC[C@H](C)C(=O)NCC1[C@H]2CN(CC(=O)NCC#N)C[C@H]12 1755421297 SGIGAGIXZJLVDG-CYZMBNFOSA-N 324.450 -0.081 30 20 DBED C#CCN(C)C1CCN(C(=O)CCS(=O)(=O)NC)CC1 1755529900 LRUHATXJDUEJCY-UHFFFAOYSA-N 301.412 -0.518 30 20 DBED COCC#CCN[C@@H](C)CN(C)C(=O)[C@H]1CCS(=O)(=O)C1 1755597232 KVTFONHIALDQIB-STQMWFEESA-N 316.423 -0.493 30 20 DBED C=CCN[C@H](CO)CNC(=O)c1ccnc(-n2cncn2)c1 1755647586 NAEXNSHLZNHWHA-LBPRGKRZSA-N 302.338 -0.471 30 20 DBED CC(=O)N1C[C@@H](CNCC(=O)NCC#N)[C@@H](C(F)(F)F)C1 1755767302 CWBMHBLMGQJJNG-ZJUUUORDSA-N 306.288 -0.127 30 20 DBED CC(=O)N[C@H](C)C(=O)NCC1[C@H]2CN(C(=O)C#CC3CC3)C[C@H]12 1756189587 HZSRTVOIIAZZTD-VCTAVGKDSA-N 317.389 -0.255 30 20 DBED CC(C)C#CC(=O)N(C)C[C@@H](O)CNC(=O)[C@]1(C)CNC(=O)C1 1756661987 HIVABMQHLIXDHT-LRDDRELGSA-N 323.393 -0.893 30 20 DBED C=CCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)NC=O)C2)C1 1781254836 MIVUVBPEUBLUFE-DOMZBBRYSA-N 309.366 -0.473 30 20 DBED C[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)CN 1795517392 UONGATNVJXCMNE-PZWNZHSQSA-N 315.439 -0.511 30 20 DBED C=CC[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](N)CN)C2 1800490907 WFLKOANDTNEJEI-PEBLQZBPSA-N 324.425 -0.926 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)COCCO)C1 1845210857 DYQGSPVBSVGOHU-ZDUSSCGKSA-N 324.377 -0.763 30 20 DBED C#CCCC(=O)N1CC2(CCCN2C(=O)[C@@H](C)n2cnnn2)C1 1846648924 DPRLWLTWKKHTNS-GFCCVEGCSA-N 316.365 -0.149 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1C=CCN1 1847801715 SQKACICQKBONOP-AJNGGQMLSA-N 317.389 -0.246 30 20 DBED C=CCNC(=O)COC(=O)C1CCN(S(C)(=O)=O)CC1 9984748 NNEBJCPFYALDSH-UHFFFAOYSA-N 304.368 -0.497 30 20 DBED Cn1c(Oc2ccc(C(N)=O)cc2)c(C#N)c(=O)n(C)c1=O 14218367 JAPAFVIFKKJQTP-UHFFFAOYSA-N 300.274 -0.153 30 20 DBED C#CCN1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1 45944140 IMOHSDKQCBQGOE-BETUJISGSA-N 301.412 -0.409 30 20 DBED CC(C)[C@@](C)(C#N)NC(=O)CN1CCN(C(=O)[C@H](C)O)CC1 152942509 YWGGXWFOPKQCPM-SWLSCSKDSA-N 310.398 -0.434 30 20 DBED C=CC[C@H](NC(=O)[C@H]1CCCCN1S(C)(=O)=O)C(=O)O 159552857 MUHYJBHIDGPBCA-VHSXEESVSA-N 304.368 -0.054 30 20 DBED CCN(CCC#N)C(=O)CN1CCN(S(C)(=O)=O)[C@@H](C)C1 181592799 PONZTLUXUBYMRK-LBPRGKRZSA-N 316.427 -0.286 30 20 DBED N#Cc1ccc(S(=O)(=O)CCN2C[C@H](O)C[C@H]2CO)cc1 245714640 PXPSACUZKKMRSQ-QWHCGFSZSA-N 310.375 -0.241 30 20 DBED C#CC[C@@H](NS(=O)(=O)N1CCC2(CC1)OCCO2)C(=O)O 274919626 AOUCACPIQNESPK-SNVBAGLBSA-N 318.351 -0.864 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(CC)C[C@H](C)OC)C1=O 291020398 AFRNZOOEKJOUEF-JTQLQIEISA-N 311.338 -0.153 30 20 DBED C=C[C@H](CO)NC(=O)NC1C[C@@H]2CC[C@H](C1)N2CC(=O)N(C)C 292174155 IUDGOCONMJLRTH-RLAWYHOSSA-N 324.425 -0.084 30 20 DBED C#CCN(C)CCCNC(=O)CCC[C@]1(C)NC(=O)NC1=O 294013436 PYLJHFRACHQEDW-HNNXBMFYSA-N 308.382 -0.174 30 20 DBED C#CCN(C)CCCNC(=O)CCC[C@@]1(C)NC(=O)NC1=O 294013439 PYLJHFRACHQEDW-OAHLLOKOSA-N 308.382 -0.174 30 20 DBED CN1CC[C@H](N/C(O)=N/C[C@@H]2CCCCS2(=O)=O)C1=O 329626713 GTLJTECNNXBVGA-UWVGGRQHSA-N 303.384 -0.312 30 20 DBED CCN1CCN(C/C(O)=N/C[C@@]2(OC)CCOC2)C(=O)C1=O 329668912 RFJGIQFNSLQRDP-AWEZNQCLSA-N 313.354 -0.561 30 20 DBED CC(=O)N1CCC[C@@H](C/N=C(/O)CN2CCN(C)C(=O)C2)C1 330087838 NNKTUNPCNCVPOV-ZDUSSCGKSA-N 310.398 -0.025 30 20 DBED CCN1CCN(CCNS(=O)(=O)N(C)[C@@H](C)CC#N)CC1 330404288 HBMXPQPLSJAIPY-ZDUSSCGKSA-N 317.459 -0.308 30 20 DBED CN(CC(=O)N/C(O)=N/CC(F)(F)F)[C@@]1(CO)CCOC1 330824407 VPAXPRDYJGNFOH-SNVBAGLBSA-N 313.276 -0.338 30 20 DBED CC/N=C(/O)N1CCN(C(=O)c2cc(O)nc(N(C)C)n2)CC1 330903667 CKSKCROAROIRRW-UHFFFAOYSA-N 322.369 -0.060 30 20 DBED CN(C)[C@@H]1CCC[C@@H](NS(=O)(=O)N2CCO[C@@H](C#N)C2)C1 336885168 FJARVYRCURYAOE-UPJWGTAASA-N 316.427 -0.082 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[C@@H](S(C)(=O)=O)C1 337070914 YPGFZHCPUIHJKF-GHMZBOCLSA-N 323.440 -0.168 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)NCC1(O)CCN(C)CC1 337093532 NQVALGSPFLPTQL-NSHDSACASA-N 304.416 -0.631 30 20 DBED COC(=O)C[C@@]1(NS(=O)(=O)N(C)[C@@H](C)CC#N)CCOC1 337753875 AOBXWNSJVZWQRJ-JQWIXIFHSA-N 319.383 -0.223 30 20 DBED N#Cc1cccc(S(=O)(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)c1 352956696 ZWUXBRJYYOQSIA-LLVKDONJSA-N 320.330 -0.517 30 20 DBED Cn1c(N2CCCN3CCC[C@H]3C2)c(C#N)c(=O)n(C)c1=O 364062123 PSHKJIQQOFGSMR-NSHDSACASA-N 303.366 -0.370 30 20 DBED COC(=O)[C@@H](CC1CC1)NS(=O)(=O)N1CCO[C@@H](C#N)C1 416598128 ZLBIDLUKCNQCRD-WDEREUQCSA-N 317.367 -0.613 30 20 DBED CNC(=O)[C@]1(C)CCN(C(=O)CNc2ccc(C#N)cn2)C1 435972915 MMRJCWYLZLVVAD-OAHLLOKOSA-N 301.350 0.350 30 20 DBED C#CCN(C)CCCNC(=O)c1ccc(S(N)(=O)=O)nc1 491546707 WWUVPPFUBBJMOQ-UHFFFAOYSA-N 310.379 -0.586 30 20 DBED C#CCNC(=O)CCN(C)C1CCN(S(C)(=O)=O)CC1 491556061 VUQNSIUHXJVQKB-UHFFFAOYSA-N 301.412 -0.518 30 20 DBED N#Cc1ccc(S(=O)(=O)CCNCCCOCCO)nc1 564086349 XDHBIPQYVJRWOZ-UHFFFAOYSA-N 313.379 -0.284 30 20 DBED COC[C@@H](C)NC(=O)NC(=O)Cn1cc(C)cc(C#N)c1=O 580325959 FUXIDFHMYYVLPO-SNVBAGLBSA-N 306.322 -0.111 30 20 DBED CS(=O)(=O)N1CCC[C@H]1C(=O)N1CC[C@@](O)(CC#N)C1 592838106 IXMAQRGMBIRDLR-JQWIXIFHSA-N 301.368 -0.713 30 20 DBED COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)CNc2ccc(C#N)cn2)C1 592934792 DKNZYSDMIHOCAE-VXGBXAGGSA-N 318.333 -0.252 30 20 DBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC/C=C\CO 597992781 NRZHZCHMNGGRAJ-OTDNITJGSA-N 323.374 -0.110 30 20 DBED N#Cc1cc(NC(=O)C(=O)NC[C@@H]2COCCN2)ccc1F 599899041 KNOWVHRZRPGGAV-LLVKDONJSA-N 306.297 -0.260 30 20 DBED C=CCOCC(=O)N1CCN(C(=O)COCC=C)[C@H](C#N)C1 602357362 GQXMFEMISRIAOC-CYBMUJFWSA-N 307.350 -0.045 30 20 DBED CN(C)C(=O)Cn1ccc(NC(=O)N2CCO[C@@H](C#N)C2)n1 609282227 ODZARMBLINJLBP-JTQLQIEISA-N 306.326 -0.272 30 20 DBED CC#CC[C@H](CO)NC(=O)NC[C@@H]1CC[C@@H](C(=O)N(C)C)O1 645413545 AVQGYZCJNLVELC-AGIUHOORSA-N 311.382 -0.304 30 20 DBED C=C[C@@H](C)NC(=O)NCCN1CCN(S(C)(=O)=O)CC1 674933970 NQZAOQWZIGHPEF-LLVKDONJSA-N 304.416 -0.563 30 20 DBED Cc1cc(C(=O)OCC(=O)NCC#N)ccc1S(N)(=O)=O 731249937 LDQJYVCOSQRMSZ-UHFFFAOYSA-N 311.319 -0.561 30 20 DBED N#Cc1ccc(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[nH]2)nc1 737713616 ZSVQDUPQXYMRLT-UHFFFAOYSA-N 306.249 -0.020 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCC[C@]12NC(=O)NC2=O 744627761 ZDAJRLAEAKGTGQ-WQGACYEGSA-N 318.377 -0.422 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)C[C@H](O)CCC)CC1 750301839 OTGXYBCDCMMHPK-CQSZACIVSA-N 309.410 -0.179 30 20 DBED N#CC1(COC(=O)C2=NC=CN3CCS(=O)(=O)N=C23)CC1 775827735 IIOMNIOHEWDGHF-UHFFFAOYSA-N 308.319 -0.197 30 20 DBED COCC(=O)N1CCN(C(=O)NCc2ccc(C#N)cn2)CC1 780646117 HCHFFZDVRKBDCF-UHFFFAOYSA-N 317.349 -0.047 30 20 DBED COCCN(CCO)C(=O)C(=O)Nc1cccc(OCC#N)c1 784346435 IIFSJCIJOWJYGG-UHFFFAOYSA-N 321.333 -0.005 30 20 DBED CN1C(=O)CN(NS(=O)(=O)c2cccc(CC#N)c2)C1=O 795161349 YOQDAAQSFIHKKG-UHFFFAOYSA-N 308.319 -0.160 30 20 DBED C#Cc1cccc(NC(=O)CN(C)CC(=O)NCC(=O)O)c1 819706324 WQEVTFKRRNVTDA-UHFFFAOYSA-N 303.318 -0.261 30 20 DBED O=C(Cn1nnc(-c2ccccc2)n1)N[C@@H]1CCCN(O)C1=O 820476265 JWVPBOJTVOUEQT-LLVKDONJSA-N 316.321 -0.164 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N[C@H](C#C)[C@@H]1CCCO1 829213979 DMJJYSVDRBYSRV-KGLIPLIRSA-N 306.362 -0.218 30 20 DBED C=CC[C@@H](CO)CNS(=O)(=O)c1cnn(CC(=O)O)c1 833370578 LWXWRWJIQHMDCL-SECBINFHSA-N 303.340 -0.569 30 20 DBED O=C1[C@H](NC(=O)C2(n3cnnn3)CCCCC2)CCCN1O 848130540 LQEQOPMUBIABOC-SNVBAGLBSA-N 308.342 -0.171 30 20 DBED C=C(CN(C)C)C(=O)N1CCCC[C@@H]1CNS(N)(=O)=O 854841588 ZUYRPFBGNPLXFS-LLVKDONJSA-N 304.416 -0.722 30 20 DBED CN1CCC(C#N)(NC(=O)CN2CCCCS2(=O)=O)CC1 878224180 XRQPMMIAPRYWAX-UHFFFAOYSA-N 314.411 -0.484 30 20 DBED Cc1ccn(C[C@@](C)(O)C(=O)NCC#CCN(C)C)c(=O)c1 913521828 ONXRZPOCGGYWKS-MRXNPFEDSA-N 305.378 -0.411 30 20 DBED COCCNC(=O)[C@H](C#N)C(=O)c1cccc(-n2cnnn2)c1 916892946 UDWIYEUHKSWFIE-GFCCVEGCSA-N 314.305 -0.253 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(CN(CC)CCOC)c1=O 921047245 UQGQOAOBUCAUTA-UHFFFAOYSA-N 324.381 -0.531 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](NC(=O)C(C)(C)N2CCOCC2)C1 938281047 QUUIKOQNQQFSJZ-OLZOCXBDSA-N 322.409 -0.026 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C2CN(Cc3cncn3C)C2)CC1 941345147 OURCUSLLYDGOTH-ZDUSSCGKSA-N 316.409 -0.092 30 20 DBED C[C@@H](C#N)C(=O)N1CCCC[C@H](NC(=O)Cn2cnnc2O)C1 943201648 UHMUFFRMGKRSMF-QWRGUYRKSA-N 320.353 -0.359 30 20 DBED C[C@H](C#N)C(=O)N1CC(N(C)C(=O)c2cc(C(N)=O)cn2C)C1 954882480 QBLGIQFBKLZXTH-SECBINFHSA-N 317.349 -0.434 30 20 DBED C[C@H]1C[C@H](NC(=O)Cn2ncnn2)CCN1C(=O)C#CC1CC1 955675804 QNFUDSNQFXQSAM-WCQYABFASA-N 316.365 -0.418 30 20 DBED Cn1cnc(C(=O)NC[C@@H]2CCCN2C(=O)C#CC2CC2)n1 956004779 OCEOGCHHNLLWNG-LBPRGKRZSA-N 301.350 -0.051 30 20 DBED C=CCN1C[C@@H](O)[C@H](CNC(=O)c2cn3c(n2)COCC3)C1 958179215 JZNRJQSNGYPQQA-DGCLKSJQSA-N 306.366 -0.378 30 20 DBED C#CCCN1C[C@H](CNC(=O)c2cn(C)nc2OC)[C@@H](O)C1 958309309 JTUVSDTUMIQTSO-AAEUAGOBSA-N 306.366 -0.526 30 20 DBED C#CCCN1C[C@@H](O)[C@@H](CNC(=O)c2ccc(C(N)=O)nc2)C1 958747931 DXGBHHANQNDJAR-GXTWGEPZSA-N 316.361 -0.774 30 20 DBED CCn1cnc(C(=O)N(C)[C@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)c1 958898027 NOPPLANETLYRCT-DRZSPHRISA-N 319.365 -0.294 30 20 DBED CC(C)Cn1[nH]c(CC(=O)N[C@H]2[C@@H]3CN(CC#N)C[C@@H]32)cc1=O 960864115 JPHATCNJUMPWCU-VIKVFOODSA-N 317.393 -0.055 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)Cc1cnc[nH]1 961051734 YRFSSDCFGIUWSW-KGYLQXTDSA-N 317.349 -0.450 30 20 DBED Cc1cc(C(=O)NC[C@@H]2COCCN2C(=O)[C@H](C)C#N)nn1C 964114118 NPWQPHSQYDPCSL-ZYHUDNBSSA-N 319.365 -0.155 30 20 DBED O=C(N[C@H]1COC2(C1)CN(C(=O)C#CC1CC1)C2)c1cn[nH]c1 965638225 BAWYLGLVDIYCGK-CYBMUJFWSA-N 314.345 -0.077 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)c2cnn3c2CCC3)C1 967037105 YVOOBKJVCURGSM-XWIASGKRSA-N 317.349 -0.710 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H](CN(C)C(=O)c2nnn(C)n2)C1 967406550 CZAMDSGUOGNGLE-MNOVXSKESA-N 319.369 -0.320 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)C[C@H]3CCNC3=O)C2)C1 972411349 YTFYZWKTKUEPGL-CJNGLKHVSA-N 305.378 -0.551 30 20 DBED CC#CCN1CCO[C@@]2(CCN(C(=O)[C@]3(C)CCNC3=O)C2)C1 972547456 AZTQNCPYPJYORV-SJORKVTESA-N 319.405 -0.161 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)c3ccc(=O)n(C)n3)C2)C1 972663711 ASZWLMISWLAXAM-MRXNPFEDSA-N 316.361 -0.670 30 20 DBED N#CCN1CCO[C@]2(CCN(C(=O)Cn3ccccc3=O)C2)C1 972669023 HBGVMCXCZVUAEF-MRXNPFEDSA-N 316.361 -0.325 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)Cn3nccn3)C2)cn1 974169115 PKWNPGRMRUURME-OKILXGFUSA-N 324.344 -0.268 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1[C@@H]2CN(C(=O)c3cnon3)C[C@@H]21 977215705 OTVJZIHEWCIAMN-CULRXLKQSA-N 318.333 -0.153 30 20 DBED Cn1nnc2c1C[C@H](C(=O)N1CCCN(CC#N)CC1)CC2 981828412 NUXLEEAPXPJEQP-GFCCVEGCSA-N 302.382 -0.022 30 20 DBED Cc1nc(C(=O)N2C[C@@H](NCC#N)C[C@H]2C)nn1-c1nc[nH]n1 989275426 VEVBPSASARRVSI-SCZZXKLOSA-N 315.341 -0.590 30 20 DBED C=CCN1CC[C@H](N2CC[C@@]3(NC(=O)C(N)=O)CCC[C@@H]23)C1=O 992139671 CHHYAORPGHJFII-OZVIIMIRSA-N 320.393 -0.628 30 20 DBED C#CCN1CC[C@@]2(NC(=O)CN3C(=O)CNC3=O)CCC[C@H]12 992471337 GXZYZKDNFIGEIC-NHYWBVRUSA-N 304.350 -0.715 30 20 DBED C[C@]12CN(C(=O)C(N)=O)C[C@H]1CN(C(=O)c1ccc(C#N)[nH]1)C2 993335356 WQBPLQBQOBJJLA-PSLIRLAXSA-N 315.333 -0.708 30 20 DBED CC#CCN1CCC[C@@H](NC(=O)CN2CCNC(=O)C2)[C@@H]1C 993695628 BDOOFKTXCYEYDM-UONOGXRCSA-N 306.410 -0.589 30 20 DBED C#CCN[C@H]1CCCN(C(=O)[C@@H]2CCc3nnnn3CC2)C1 1000250147 LSEPGDFMTQIXKI-OLZOCXBDSA-N 302.382 -0.161 30 20 DBED CC(C)C(=O)N1CCC(=O)NCCN(C(=O)[C@H](C)C#N)CC1 1001725450 VSWQXQLXKMAJSK-GFCCVEGCSA-N 308.382 -0.021 30 20 DBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1CN(C(=O)CC(N)=O)C1 1002138697 SNDDPIVEWUPWJE-WFASDCNBSA-N 323.393 -0.192 30 20 DBED CC#CCN1CCC(NC(=O)CN2C(=O)C(=O)N(C)C2=O)CC1 1003726076 LLDFFOHUDVLRJK-UHFFFAOYSA-N 320.349 -0.989 30 20 DBED CC1(C)CN(C(=O)C#CC2CC2)C[C@@H]1NC(=O)Cn1ncnn1 1008175943 LXGZVBRWUDLSNK-LBPRGKRZSA-N 316.365 -0.560 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2C(CNC(=O)c3cc(=O)n(C)o3)[C@H]2C1 1009004081 RHPDZYZYUSPJMX-FBIMIBRVSA-N 318.333 -0.428 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2CCN([C@H]3CCC(=O)NC3=O)C2)[nH]1 1010643347 MIJHFPAWPIMJIN-JQWIXIFHSA-N 315.333 -0.504 30 20 DBED C#Cc1ccc(C(=O)N2CCN(C(=O)c3nc[nH]n3)CC2)nc1 1011804581 GPXPWXSOOBYEEY-UHFFFAOYSA-N 310.317 -0.221 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CCN(C(=O)c3c[nH]c(=O)cn3)[C@@H]2C1 1022535266 KEQLRBUSMIYGLD-JBLDHEPKSA-N 315.333 -0.398 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)CC2CCOCC2)C1 1023238498 UEVQAHLGBZFABP-RAIGVLPGSA-N 309.366 -0.349 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1025139143 CJYXGHFBJFJRNU-MLGHIDQZSA-N 308.378 -0.221 30 20 DBED C=C1CC(C)(C(=O)N2C[C@@H](O)[C@H](NC(=O)Cc3nc[nH]n3)C2)C1 1025739870 HHCJMRXQXAIURX-GHMZBOCLSA-N 319.365 -0.609 30 20 DBED C=C(C)CN[C@@H]1CC[C@H]2CN(C(=O)CN3C(=O)CNC3=O)C[C@@H]21 1026415376 GGXOWHQCBLPMFN-RWMBFGLXSA-N 320.393 -0.059 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2CCN([C@@H](C)C(N)=O)C2)nc1 1028936400 WVPTYTXTTYPEPU-AAEUAGOBSA-N 300.362 -0.012 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)[C@@]3(C)CNC(=O)C3)C2)C1=O 1030729158 PGSKFXURPKZCGE-MLGOLLRUSA-N 320.393 -0.900 30 20 DBED C=CCn1cc(C(=O)NC2CN([C@H]3CCCNC3=O)C2)nn1 1031069809 AKTUJEHZWZJEDL-LBPRGKRZSA-N 304.354 -0.843 30 20 DBED Cc1nc(C(=O)N(C)[C@@H]2CCN(CC#N)C2)nn1-c1nc[nH]n1 1033311187 BNIZVRIRUBISEP-SNVBAGLBSA-N 315.341 -0.636 30 20 DBED C#CCCCC(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2CCNC2=O)C1 1039580563 WPJPZDFZVJVBII-MLGOLLRUSA-N 321.377 -0.994 30 20 DBED C[C@@H]1CCN(C(=O)C(N)=O)C[C@H]1CNc1ccc(C#N)nn1 1039889668 UNTISMBPKVMJKJ-NXEZZACHSA-N 302.338 -0.270 30 20 DBED C[C@@H]1C[C@H]1C(=O)NC[C@@]1(O)CCN(C(=O)CSCC#N)C1 1040496375 WDWHRCICDZVZOQ-GYSYKLTISA-N 311.407 -0.021 30 20 DBED CCNC(=O)CCC(=O)N1CC[C@@](O)(CNC(=O)[C@H](C)C#N)C1 1040759896 DVYSTTNBSUUMOY-IAQYHMDHSA-N 324.381 -0.858 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)Cc3ccon3)C2)cn1 1040959084 QRBSGBHZBQBKGG-ZIAGYGMSSA-N 313.317 -0.150 30 20 DBED Cc1nonc1C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1O 1041078555 DAOMOHCXDQCCFW-NXEZZACHSA-N 315.293 -0.981 30 20 DBED CC(F)(F)C(=O)NCC1(O)CN(C(=O)CSCC#N)C1 1041131927 CFWPPWDLLPRVKO-UHFFFAOYSA-N 307.322 -0.412 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)Cn2cncc2C)C1 1041966754 VCFLOBLCVUKLMK-UHFFFAOYSA-N 306.366 -0.153 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCCOC2)C1 1042000338 PJTZALVNXTUSBR-CYBMUJFWSA-N 324.377 -0.858 30 20 DBED C[C@@H]1CN(c2nccnc2C#N)C[C@H]1NC(=O)Cc1nc[nH]n1 1042191228 MCMQKJDVXMVBIR-MWLCHTKSSA-N 312.337 -0.350 30 20 DBED N#CCN1CC[C@H]2CCN(C(=O)CN3C(=O)CCC3=O)C[C@H]21 1042346005 OOCCCYCKANPVGJ-NWDGAFQWSA-N 304.350 -0.418 30 20 DBED C=CCN1CC[C@H](N2CC(N(C)C(=O)C3=COCCO3)C2)C1=O 1042439185 MOWGIZBSZYUXQT-ZDUSSCGKSA-N 321.377 -0.196 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(O)CN(C(=O)c2ccnn2C)C1 1042807065 NSULNSAAHLZZFH-AWEZNQCLSA-N 322.365 -0.950 30 20 DBED CCn1nccc1C(=O)N1CC(O)(CNC(=O)C#CC(C)C)C1 1042936248 CJYNBSDAVYGJEQ-UHFFFAOYSA-N 318.377 -0.135 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)C[C@@H]2COC(=O)C2)C1 1042936927 VDXKOSGTRYZHRV-LBPRGKRZSA-N 322.361 -0.712 30 20 DBED C[C@@H]1CN(C(=O)C2=COCCO2)C[C@H]1N=c1cc[nH]c(C#N)n1 1043057715 DVRLHUNTKATFJZ-GHMZBOCLSA-N 315.333 -0.083 30 20 DBED C=C(C)CN[C@@H]1CCN(C(=O)CN2CCNC(=O)C2)[C@@H](C)C1 1044703489 VEWUCCOMMGCMRL-UONOGXRCSA-N 308.426 -0.037 30 20 DBED C#CCN1CC[C@@](C)(NC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1 1046618765 JPSPKDBDQQVZOG-DVOMOZLQSA-N 307.394 -0.164 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)N2C(=O)CCC2=O)C1 1047400926 PEEOBOGKSLQDMP-WOPDTQHZSA-N 309.366 -0.787 30 20 DBED C=CCCC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2COC(=O)N2)C[C@@H]1O 1048523458 OTQRAHDZIXQZNA-DCAQKATOSA-N 311.338 -0.909 30 20 DBED C=CCCC(=O)N(C)[C@H]1CN(C(=O)c2[nH]nnc2C)C[C@@H]1O 1048539671 JATXLWBETFQBAP-QWRGUYRKSA-N 307.354 -0.277 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CN([C@H]3CCC(=O)NC3=O)C[C@@H]2C1 1048728053 SLRPRPQFORHKCJ-WYUUTHIRSA-N 304.350 -0.659 30 20 DBED CC(C)C#CC(=O)N(C)[C@H]1CN(C(=O)[C@H]2CCCO2)C[C@@H]1O 1048797506 AABSSVBYQYZSSF-MELADBBJSA-N 308.378 -0.145 30 20 DBED C=CCN1CC[C@@H](NC[C@H]2CC[C@H](NC(=O)C(N)=O)CC2)C1=O 1050360636 SCQINGZIOUZZLT-JHJVBQTASA-N 322.409 -0.477 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)c1cnc(O)cc1OC 1051113979 CNOQHVQYKUYMTL-NSHDSACASA-N 305.334 -0.140 30 20 DBED C=CCOCC(=O)N1C[C@H](CNC(=O)c2cn(C)nn2)[C@@H](C)C1 1052221946 VYPILRLFCSSMFE-RYUDHWBXSA-N 321.381 -0.158 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)[C@H]1CC(=O)N(CC)C1)CCO2 1053279608 SSOYNEVKXCANOG-AWEZNQCLSA-N 319.405 -0.209 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)[C@H]1CC[C@H]1C(N)=O)CCO2 1053373855 SBSYYHMAYMPPIS-OLZOCXBDSA-N 305.378 -0.566 30 20 DBED Cn1cc(CCC(=O)N2CCOC3(CN(CC#N)C3)C2)cn1 1053539932 ABQIZCAFJHXEFL-UHFFFAOYSA-N 303.366 -0.211 30 20 DBED C#CCN1CC2(C1)CN(C(=O)[C@H]1CCC(=O)N(C)C1)CCO2 1053542325 DFNSJKYTIHPPFB-ZDUSSCGKSA-N 305.378 -0.599 30 20 DBED C#CCN1CC2(CC[C@@H](CNC(=O)c3cncnc3O)O2)C1 1053615224 FVGFINNPNOIOGW-NSHDSACASA-N 302.334 -0.221 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)c3cnn4c3CCC4)CO2)C1 1053823838 RDCVKSIAIWZIMH-LLVKDONJSA-N 301.350 -0.074 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)C[C@H]3CCC(=O)NC3)CO2)C1 1053828400 STKWBTZXUJBVHD-CHWSQXEVSA-N 305.378 -0.505 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)c3cccc4ncnn34)CO2)C1 1053859403 IKAYUGSKYCZKLU-LBPRGKRZSA-N 311.345 -0.064 30 20 DBED Cc1c(C(=O)N[C@H]2[C@@H]3CN(c4ccnc(C#N)n4)C[C@@H]32)nnn1C 1056176918 YJAAEBQYPOPXKC-MSRIBSCDSA-N 324.348 -0.350 30 20 DBED Cn1ccc(C(=O)N[C@H]2[C@@H]3CN(c4ccnc(C#N)n4)C[C@@H]32)n1 1056226233 UFDLOUUAIGDTNK-MSRIBSCDSA-N 309.333 -0.054 30 20 DBED CN(c1ccc(C#N)nn1)[C@@H]1CCN(C(=O)CS(C)(=O)=O)C1 1056856201 ZKQMFHUNAUNTNI-LLVKDONJSA-N 323.378 -0.570 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)[C@@]1(C)CCNC1=O 1057170871 FBYRXZQDOMUMAQ-HNNXBMFYSA-N 311.382 -0.584 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)[C@H]1CCCN1C 1057212787 WAZPJQIODSNRJL-CQSZACIVSA-N 309.410 -0.323 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)c1cncnc1 1057406100 BHBYKNVXMUYTRO-UHFFFAOYSA-N 308.338 -0.770 30 20 DBED N#Cc1ccc(NC2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)nn1 1057426760 GVYXMLZXZJKABT-NEPJUHHUSA-N 314.349 -0.127 30 20 DBED C=C[C@@](C)(O)CC(=O)N(CCO)CCNC(=O)c1cnco1 1057451480 LXNXXSGTKAWICG-CQSZACIVSA-N 311.338 -0.448 30 20 DBED C#CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)c1n[nH]cc1C 1057530362 QQCFOXHUSPGQBZ-LBPRGKRZSA-N 322.365 -0.693 30 20 DBED C=CC(C)(C)CC(=O)N(CCO)CCNC(=O)CNC(C)=O 1057696623 UMHBYXLRYNLIQM-UHFFFAOYSA-N 313.398 -0.338 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)CN(C)CCC 1058255499 RWMOVUFIGJDKKK-UHFFFAOYSA-N 315.414 -0.532 30 20 DBED C=C[C@@H](C)[C@H](C)C(=O)N(CCO)CCNC(=O)Cn1nccn1 1058437553 GTZKVWQLJBTXFD-OLZOCXBDSA-N 323.397 -0.327 30 20 DBED C[C@@]1(C(=O)N[C@H]2CCN(c3cnc(C#N)cn3)C2)CNC(=O)C1 1058493785 CNPDBVADXBQRHP-BONVTDFDSA-N 314.349 -0.431 30 20 DBED N#Cc1cnc(N2C[C@@H]3CC[C@H](C2)N3C(=O)CC(N)=O)cn1 1058739117 HIUQVTNFVSYHKA-PHIMTYICSA-N 300.322 -0.597 30 20 DBED CN1CCOC[C@H]1C(=O)N1CC[C@H](Nc2cncc(C#N)n2)C1 1058855064 SIWQSJWINUKYDF-AAEUAGOBSA-N 316.365 -0.308 30 20 DBED N#Cc1nc(=N[C@H]2CCN(C(=O)C[C@H]3CCC(=O)N3)C2)cc[nH]1 1058924365 JNUXLZJNJLGANK-MNOVXSKESA-N 314.349 -0.548 30 20 DBED CN1CC[C@@H](C(=O)N[C@H]2C[C@H](Nc3cncc(C#N)n3)C2)C1=O 1059377563 ZLHYFINDGYZALV-NHCYSSNCSA-N 314.349 -0.114 30 20 DBED C#CCOCCC(=O)N[C@H]1CC[C@H](CNC(=O)CC(N)=O)CC1 1060732781 UOXSZLHSNTUZAX-JOCQHMNTSA-N 323.393 -0.307 30 20 DBED Cc1cc(C#N)nc(N(C)[C@@H]2CCCN(C(=O)CC(N)=O)C2)n1 1061182710 PFHFLLFHXAXEEX-GFCCVEGCSA-N 316.365 -0.041 30 20 DBED C=CCCC(=O)N1CCOC[C@H]1CNC(=O)[C@H]1CC(=O)N(C)C1 1061645302 UKVHWYSVRIABIH-QWHCGFSZSA-N 323.393 -0.226 30 20 DBED CC(C)C#CC(=O)N1CCOC[C@@H]1CNC(=O)Cc1ncc[nH]1 1061819250 YERHQEQCKAEROE-ZDUSSCGKSA-N 318.377 -0.045 30 20 DBED C=CCCCC(=O)NC[C@@H]1COCCN1C(=O)[C@H]1CCNC1=O 1061829399 PXLAFHXJKIMTRT-OLZOCXBDSA-N 323.393 -0.178 30 20 DBED Cc1ccnn1CC(=O)N1CCOC[C@H]1CNC(=O)[C@H](C)C#N 1061852523 JIJWZVHUFIVLNV-DGCLKSJQSA-N 319.365 -0.305 30 20 DBED C=CCCOCC(=O)NCC1(NC(=O)CC(=O)NC)CCC1 1063422191 DZBMMKRKRVYDPV-UHFFFAOYSA-N 311.382 -0.130 30 20 DBED N#Cc1nccnc1NC[C@H]1CCCN1C(=O)[C@H]1C[C@H]1C(N)=O 1063559267 KGZCWCPLHUJJOO-MXWKQRLJSA-N 314.349 -0.127 30 20 DBED CC(C)C#CC(=O)N1CCO[C@@H](CNC(=O)Cn2ccnc2)C1 1065126789 SYBDCOBSACGSCK-AWEZNQCLSA-N 318.377 -0.114 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CN(C(=O)Cc2ccn(C)n2)CCO1 1065138482 PJQINNDDFLUVHJ-YPMHNXCESA-N 319.365 -0.534 30 20 DBED C[C@@]1(NC(=O)[C@H]2COCCO2)CCN(c2cnc(C#N)cn2)C1 1065210006 IWRHASHXGKCNFA-IUODEOHRSA-N 317.349 -0.151 30 20 DBED C=CCCCC(=O)N1CCO[C@@H](CNC(=O)Cn2cnnn2)C1 1065544211 NUBATGDMAZREHF-LBPRGKRZSA-N 322.369 -0.627 30 20 DBED CC(C)[C@@H](O)C(=O)N1CCO[C@H](CN=c2cc[nH]c(C#N)n2)C1 1066625512 QEKKFUYVYPNCAS-BXUZGUMPSA-N 319.365 -0.574 30 20 DBED N#Cc1cnc(N2C[C@H](CNC(=O)c3cc[nH]c3)[C@@H](O)C2)cn1 1067695609 MZAJKXDRMKTNLI-AAEUAGOBSA-N 312.333 -0.097 30 20 DBED N#Cc1cnc(N2C[C@H]3[C@H](CNC(=O)c4cnn[nH]4)[C@H]3C2)cn1 1068209941 PFWKSQZRIKMNDT-RTCCRHLQSA-N 310.321 -0.421 30 20 DBED C=C[C@H](C)[C@@H](C)C(=O)N1CCOC2(CN(C(=O)C(N)=O)C2)C1 1068436693 PHGSHNRRTPNAMZ-WDEREUQCSA-N 309.366 -0.630 30 20 DBED N#Cc1cncc(NC[C@H]2C[C@H](NC(=O)[C@H]3CCC(=O)N3)C2)n1 1068460682 ODGDONXOWABXSE-CKYFFXLPSA-N 314.349 -0.066 30 20 DBED C#CCCCC(=O)N[C@H]1COC2(C1)CN(C(=O)CC(=O)NC)C2 1068836647 KSWPHIJIKOSNIB-GFCCVEGCSA-N 321.377 -0.588 30 20 DBED O=C(C#CC1CC1)N[C@@H]1COC2(C1)CN(C(=O)c1ncc[nH]1)C2 1068861169 ZLWWGPUEMHPACW-LBPRGKRZSA-N 314.345 -0.077 30 20 DBED C#CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)Cn2cccn2)C1 1069896611 YOMKUVYFVRKERE-KGLIPLIRSA-N 313.365 -0.460 30 20 DBED C=C(C)CN[C@@H]1CN(C(=O)[C@@H]2COCCO2)C[C@@H]1n1ccnn1 1070147182 WUUWCBHUAMQZAR-RDBSUJKOSA-N 321.381 -0.389 30 20 DBED C[C@@]1(C(=O)N2C[C@H]3C[C@@H]4CN(CC#N)C[C@]3(C2)O4)CCC(=O)N1 1070848171 OBPALCJOVWGECK-AVRGHOLYSA-N 318.377 -0.520 30 20 DBED C[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@@H]1NC(=O)CSCC#N 1072543193 JFACCHIQBHCVNG-BDAKNGLRSA-N 323.382 -0.956 30 20 DBED C=C(C)CN1CCC2(C1)CN(C(=O)[C@H]1CCS(=O)(=O)N1)C2 1073439305 TYMKYPZXSXTBHT-GFCCVEGCSA-N 313.423 -0.212 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)[C@H]2CCS(=O)(=O)C2)C1 1073684694 XZAQERYAGRQNLO-STQMWFEESA-N 314.407 -0.739 30 20 DBED CC#CCN1CCO[C@H]2CCN(C(=O)CCn3cncn3)C[C@@H]21 1074171482 VKWSDTNURDSUNE-GJZGRUSLSA-N 317.393 -0.007 30 20 DBED C#CCCN1CCO[C@@H]2CCN(C(=O)C(C)(C)C(N)=O)C[C@@H]21 1074271500 NJZAWNBZQMSYPA-QWHCGFSZSA-N 307.394 -0.177 30 20 DBED C=CCOCC(=O)N[C@@H](C)CCNC(=O)CCNC(N)=O 1076450159 OMZBFYBOZMHADZ-JTQLQIEISA-N 300.359 -0.742 30 20 DBED C=C(C)CCC(=O)N[C@@H](C)CCNC(=O)CN1CCNC(=O)C1 1077723130 OYWRSUNGBZCLRO-ZDUSSCGKSA-N 324.425 -0.215 30 20 DBED C=CCOCC(=O)N(CC)C1CN(C(=O)[C@@]2(C)CCNC2=O)C1 1079492920 RCKJXCOJRSDIAN-INIZCTEOSA-N 323.393 -0.226 30 20 DBED C=C[C@](C)(O)CC(=O)N(CC)C1CN(C(=O)c2ncn(C)n2)C1 1079684866 TXOHEPCOLHUMSU-HNNXBMFYSA-N 321.381 -0.185 30 20 DBED CCN(C(=O)C[C@@H]1CCNC1=O)C1CN(C(=O)[C@H](C)C#N)C1 1079897382 VIJSJDOILCXVLP-MNOVXSKESA-N 306.366 -0.268 30 20 DBED C=CCCCC(=O)N1C[C@H](CNC(=O)c2cnn(C)n2)[C@@H](O)C1 1081598027 MLMYWYLUOBULKE-AAEUAGOBSA-N 321.381 -0.280 30 20 DBED CC#CCN1C[C@@H](NC(=O)[C@H]2CC(=O)N(CC)C2)[C@H](OC)C1 1081761482 CIDUYCWUGWOPSN-BFHYXJOUSA-N 307.394 -0.307 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@@H]1CCc2cnn(C)c2C1 1082067487 NWZDVROOPGZVHU-UXIGCNINSA-N 317.393 -0.136 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1cn(CC2CC2)nn1 1082279333 WGUGCWOYFQBBIT-DGCLKSJQSA-N 304.354 -0.359 30 20 DBED O=C(C#CC1CC1)N1CCO[C@@H]2CN(CCn3cncn3)C[C@@H]21 1083077378 FIYLTELTZADWRQ-LSDHHAIUSA-N 315.377 -0.397 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1nc[nH]c2nccc1-2 1083131059 XHPROAIFJVHTNH-NWDGAFQWSA-N 312.333 -0.042 30 20 DBED C=CCn1cccc1C(=O)N[C@@H]1CN([C@@H](C)C(N)=O)C[C@@H]1O 1083525587 ADLCDXGSSIRISO-LOWVWBTDSA-N 306.366 -0.677 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2CN(Cc3ncccn3)C[C@@H]2O)c1 1083765349 ZLLBKRVISYPCJA-CABCVRRESA-N 323.356 -0.172 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)c2ccnc(N(C)C)c2)C1 1083828005 WDFGUMNAWJKIRH-KGLIPLIRSA-N 302.378 -0.054 30 20 DBED C#CCN1C[C@H]2CC[C@H]1[C@H]1CN(C(=O)Cn3cnnn3)C[C@H]21 1087336338 ZYKWRRUTEPKKMT-MQYQWHSLSA-N 300.366 -0.525 30 20 DBED CC[C@@H]1[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)CCN1CC#N 1087795410 CBEAETSPKLYPFA-GXSJLCMTSA-N 315.337 -0.476 30 20 DBED C[C@H](CCCCN=c1cc[nH]c(C#N)n1)NC(=O)CC(N)=O 1090066981 XQCJRVGAMCGHRN-SNVBAGLBSA-N 304.354 -0.268 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2cc(C(N)=O)cn2C)[C@H](O)C1 1090398602 FPXIHTAAGAFMJD-TZMCWYRMSA-N 318.377 -0.688 30 20 DBED COC[C@H](C)CC(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1O 1090476121 VETBVBRQRICAQO-IJLUTSLNSA-N 319.365 -0.313 30 20 DBED CC#CCN1CC[C@H](NC(=O)Cn2ccccc2=O)[C@H](O)C1 1090799104 SHMRDTUARZOKDZ-UONOGXRCSA-N 303.362 -0.577 30 20 DBED COc1ccnc(N2C[C@H](O)[C@H](NC(=O)C#CC(C)C)C2)n1 1091095911 ARAHNKRGZRGZHU-NEPJUHHUSA-N 304.350 -0.190 30 20 DBED C[C@H](NC(N)=O)C(=O)N[C@H]1[C@@H]2CN(c3ccc(C#N)cn3)C[C@@H]21 1093258397 LEWMXUASZPWYAK-MVVXRAEJSA-N 314.349 -0.439 30 20 DBED C=CCN1CC(OC2CCN(C(=O)Cn3cnnn3)CC2)C1 1093505812 RMAQUBFGNDPCGS-UHFFFAOYSA-N 306.370 -0.449 30 20 DBED CNC(=O)C1(C(=O)NCCNc2nccnc2C#N)CCC1 1093769748 SCLMKSUPBQXPFD-UHFFFAOYSA-N 302.338 -0.207 30 20 DBED N#Cc1cncc(NCCNC(=O)C2CCS(=O)(=O)CC2)n1 1093865839 RSTZEYLBAGYCCD-UHFFFAOYSA-N 323.378 -0.299 30 20 DBED COCC(=O)N(C)CC(=O)NCCNc1ccc(C#N)c(C)n1 1094194042 WKXWGAJHNCRMEW-UHFFFAOYSA-N 319.365 -0.105 30 20 DBED CN1CCO[C@@H](C(=O)NCCCNc2cncc(C#N)n2)C1 1094349361 SASFNVDBJQXBCY-GFCCVEGCSA-N 304.354 -0.403 30 20 DBED Cc1nc(CC(=O)NCCCN=c2cc[nH]c(C#N)n2)n[nH]1 1094401572 CYQGURNSWSMLTO-UHFFFAOYSA-N 300.326 -0.642 30 20 DBED CCN1CCO[C@@H](C(=O)NCCCNc2cncc(C#N)n2)C1 1094446860 NLTYTJVKUUYJJR-CYBMUJFWSA-N 318.381 -0.013 30 20 DBED N#CCN1CC(N2C[C@H](NC(=O)c3cnccn3)CC2=O)C1 1094698117 VOXAWJGWJWFLNO-SNVBAGLBSA-N 300.322 -0.985 30 20 DBED CCN1CC(N2C[C@H](NC(=O)c3ccc(C#N)[nH]3)CC2=O)C1 1094728541 YODIQTNDWSGFSW-LLVKDONJSA-N 301.350 -0.079 30 20 DBED C[C@@]1(C(=O)NCCCNc2cncc(C#N)n2)CCC(=O)N1 1094765668 WQHBQCUVHGNISM-AWEZNQCLSA-N 302.338 -0.065 30 20 DBED CC(C)C(=O)N(C)CC(=O)NCCCN=c1cc[nH]c(C#N)n1 1094841846 LPZSWCYWGXDYNY-UHFFFAOYSA-N 318.381 -0.197 30 20 DBED COc1cnc(C(=O)NCCCN=c2cc[nH]c(C#N)n2)nc1 1094893534 MRRYXWPTDXBAPS-UHFFFAOYSA-N 313.321 -0.199 30 20 DBED CCNC(=O)CC(=O)N1CC[C@@H](N(C)c2cnc(C#N)cn2)C1 1095111651 XRXJZGPGRRQKTA-GFCCVEGCSA-N 316.365 -0.088 30 20 DBED Cc1nc(CC(=O)NCCCN(C)c2ccc(C#N)nn2)n[nH]1 1095549713 XXWWZNNBMSIRSK-UHFFFAOYSA-N 314.353 -0.040 30 20 DBED CN(CCCNC(=O)[C@H]1CCCNC1=O)c1cnc(C#N)cn1 1095665720 VQMWJKCYRZAQFQ-LBPRGKRZSA-N 316.365 -0.183 30 20 DBED CN1CC[C@@H](C(=O)NCCCN(C)c2ccc(C#N)nn2)C1=O 1095701586 OLOZKPBRCBGVEG-LBPRGKRZSA-N 316.365 -0.231 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCN(c2cnc(F)cn2)C1 1096359635 FKACMUBEGHJHTL-SNVBAGLBSA-N 305.313 -0.550 30 20 DBED CNC(=O)CC(=O)N1CCC[C@@H](N(C)c2ccnc(C#N)n2)C1 1098683875 KWWMTOZLWNWTDM-LLVKDONJSA-N 316.365 -0.088 30 20 DBED C#CCNC(=O)CN1CC(C)(C)CC[C@@H]1CNC(=O)CC(N)=O 1098992624 DBWPJQVQAFXRPS-GFCCVEGCSA-N 322.409 -0.782 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)CN(C)C(C)=O)[C@@H](O)C1 1099689218 DUDNCHIGOBWBCG-KGLIPLIRSA-N 313.398 -0.781 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)CCNC(=O)COC)[C@H](O)C1 1099864420 RPHKMCRKFHILGX-CHWSQXEVSA-N 313.398 -0.733 30 20 DBED C=C(C)CN(CC)C(=O)CNC1CC(CNC(=O)CC(N)=O)C1 1100208937 LLFRSOJUIOCFPK-UHFFFAOYSA-N 324.425 -0.229 30 20 DBED CO[C@H](C(=O)NCC1CC(NCC(=O)NCC#N)C1)C1CC1 1100295324 KJMACUUQMKCUMW-OVGLSYRBSA-N 308.382 -0.464 30 20 DBED O=C(C#CC1CC1)NCC1CC(N[C@@H]2CCC(=O)NC2=O)C1 1100315214 YOIAXDXDNXMBDZ-WXRRBKDZSA-N 303.362 -0.311 30 20 DBED CN(CCNC(=O)[C@H]1CC[C@@H](C(N)=O)C1)c1nccnc1C#N 1100328043 LPXJNELCUITTHK-MNOVXSKESA-N 316.365 -0.198 30 20 DBED CN(CCNC(=O)c1cc(=O)n(C)cn1)c1ccncc1C#N 1100389775 DMCMCXGFPZATBH-UHFFFAOYSA-N 312.333 -0.087 30 20 DBED CCN(CCNC(=O)[C@]1(C)CCNC1=O)c1cnc(C#N)cn1 1100716071 MXRSLBJOKFBGEK-OAHLLOKOSA-N 316.365 -0.183 30 20 DBED CNC(=O)C1(C(=O)N(C)CCN=c2cc[nH]c(C#N)n2)CC1 1101682659 SBOCHCANGQITED-UHFFFAOYSA-N 302.338 -0.833 30 20 DBED COCC#CCN1C[C@@H](C)[C@H](CNC(=O)Cn2cnnc2O)C1 1101902333 JXMQTRNDJRJYNV-CHWSQXEVSA-N 321.381 -0.682 30 20 DBED C=CCN1C[C@@H](C)[C@H](CNC(=O)CCS(=O)(=O)NC)C1 1101968080 PUOQDZVHNZLTDD-VXGBXAGGSA-N 303.428 -0.204 30 20 DBED C[C@H](C(=O)N(C)CCN=c1cc[nH]c(C#N)n1)S(C)(=O)=O 1102032571 OUMKGAHFRUXRLL-SECBINFHSA-N 311.367 -0.926 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)c2nc(C)c[nH]2)C1 1102449177 NCAHDCKLNXBLRY-DGCLKSJQSA-N 317.393 -0.235 30 20 DBED CCNC(=O)CC(=O)N(C)[C@H]1CCN(c2ccnc(C#N)n2)C1 1102695439 GLTIMZMSGWRTEQ-NSHDSACASA-N 316.365 -0.088 30 20 DBED N#Cc1nccc(N2CCC[C@H](CCNC(=O)C(N)=O)C2)n1 1102942060 RPJJTLBXLCJIBZ-SNVBAGLBSA-N 302.338 -0.444 30 20 DBED CC[C@H](CNC(=O)[C@@H]1CN(C)CCO1)Nc1ccc(C#N)nn1 1103032557 LOOWDOMRSQXUNE-YPMHNXCESA-N 318.381 -0.014 30 20 DBED CC[C@H](CNC(=O)Cn1cncn1)N=c1cc[nH]c(C#N)n1 1103086247 WMHZXCAGIPGYHB-SNVBAGLBSA-N 300.326 -0.631 30 20 DBED CC[C@@H](CNC(=O)[C@H]1CNC(=O)N1)Nc1nccnc1C#N 1103277601 LLLWJJYZQNCVRL-WCBMZHEXSA-N 303.326 -0.664 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)C[C@H]1CCC(=O)N1 1104012238 CYDWLSYJGZAPLO-GHMZBOCLSA-N 316.365 -0.397 30 20 DBED C[C@@H](CC(=O)NC[C@@H](C)CN=c1cc[nH]cc1C#N)NC(N)=O 1104099978 VGLDTUWIAIFEEG-QWRGUYRKSA-N 318.381 -0.014 30 20 DBED C#CCOCCC(=O)N(C)[C@H](C)CNc1nccn2nnnc12 1104677186 GXZSVKKCFYRQMH-LLVKDONJSA-N 317.353 -0.182 30 20 DBED C[C@@H]1CN(C(=O)CNC(N)=O)CC[C@@H]1Nc1ccc(C#N)nn1 1105030697 XQBLOHAGMLOAIH-KOLCDFICSA-N 317.353 -0.335 30 20 DBED CC(C)[C@@H](CNC(=O)Cn1cnnn1)Nc1ccc(C#N)nn1 1105106598 ZAYNRPSKRKOISG-LLVKDONJSA-N 315.341 -0.412 30 20 DBED CN(CCN(C)c1ccnc(C#N)n1)C(=O)[C@]1(C)CCC(=O)N1 1105552770 FTMAGXCNLNZUCV-HNNXBMFYSA-N 316.365 -0.088 30 20 DBED N#Cc1cccnc1NC[C@@H](O)CNC(=O)[C@@H]1COCCO1 1105780730 UQZRMIMPEYVBHX-NEPJUHHUSA-N 306.322 -0.742 30 20 DBED C#CCCCC(=O)NC[C@H](O)CNc1ccc2nnnn2n1 1105798580 GTXSMWZZOVYANE-SNVBAGLBSA-N 303.326 -0.788 30 20 DBED N#Cc1cncc(NC[C@@H](O)CNC(=O)c2ncccc2O)n1 1105802860 SSVVSKNOVGXGTA-SNVBAGLBSA-N 314.305 -0.348 30 20 DBED Cc1nn[nH]c1C(=O)NC[C@@H](O)CNc1ccc(C#N)nc1 1106035238 GITRKOAWHRTHHT-NSHDSACASA-N 301.310 -0.417 30 20 DBED Cc1c[nH]c(C(=O)NC[C@H](O)CN=c2cc[nH]cc2C#N)n1 1106135082 LEDNHNHXSYFCGZ-LLVKDONJSA-N 300.322 -0.391 30 20 DBED C[C@@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)[C@H](C)CC(N)=O 1106515966 OWUJNEGYRFHHRI-ZJUUUORDSA-N 304.354 -0.412 30 20 DBED Cn1ccc(C(=O)NC/C=C/CN=c2cc[nH]c(C#N)n2)cc1=O 1107581202 JHPYZADTTDTFDA-NSCUHMNNSA-N 324.344 -0.133 30 20 DBED C#CCNC(=O)CN1CCO[C@](C)(CNC(=O)[C@@H](F)CC)C1 1108124878 UIWGSBQFODRZAU-SWLSCSKDSA-N 313.373 -0.309 30 20 DBED CC#CCCCC(=O)N[C@@H]1CC(=O)N(C2CN(CCO)C2)C1 1108563369 LXDRVZORLBCARW-CYBMUJFWSA-N 307.394 -0.426 30 20 DBED C=CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN(C)S(C)(=O)=O 1109365230 IENOFIKUCCOTHQ-WOPDTQHZSA-N 301.412 -0.215 30 20 DBED CN1C[C@@H](C(=O)N(C)CCCNc2ccc(C#N)nn2)NC1=O 1109578677 LUTXXBQUHYKKED-NSHDSACASA-N 317.353 -0.368 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H](NC(=O)[C@H]1COC(=O)N1)C1CC1 1109832383 FRFKPMMLFILLLM-CHWSQXEVSA-N 315.333 -0.210 30 20 DBED CCS(=O)(=O)CC(=O)NCC1(N=c2cc[nH]cc2C#N)CC1 1110157634 QROUWIAFEOVRDW-UHFFFAOYSA-N 322.390 -0.129 30 20 DBED N#Cc1ccc(NC[C@@H]2CCCN2C(=O)CNC(N)=O)nn1 1110530047 LCSMNURSHSNGGA-JTQLQIEISA-N 303.326 -0.581 30 20 DBED CC(C)[C@@H](O)C(=O)N(C)[C@H]1CN(c2nccnc2C#N)C[C@@H]1O 1111181278 NQYXYAVSBNMOHQ-RWMBFGLXSA-N 319.365 -0.627 30 20 DBED N#Cc1cnc(NCCN(CCO)C(=O)c2ccncn2)cn1 1111499824 ANRAZWUKJFVPEO-UHFFFAOYSA-N 313.321 -0.315 30 20 DBED CCOCCC(=O)NC[C@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1112703161 YJLWZJJWPRNALJ-AAEUAGOBSA-N 319.365 -0.312 30 20 DBED CNC(=O)CC(=O)NC[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1O 1112710102 SSBSWSSTWWBCLS-VXGBXAGGSA-N 317.349 -0.997 30 20 DBED C[C@@H](C(=O)NC(=O)NC1CC1)N1CCN(C(=O)[C@H](C)C#N)CC1 1112718213 FUKQHFIDLPRMGR-MNOVXSKESA-N 321.381 -0.333 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(c2cc(F)ncn2)C[C@H]1O 1112720687 OLWFSXSQFQUXRO-NWDGAFQWSA-N 304.325 -0.058 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(c2nccc(C)n2)C[C@@H]1O 1112738797 RSORSYHKVSPAQY-KGLIPLIRSA-N 318.377 -0.262 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)C2=CCOCC2)CC1 1112786111 YUKCGMPWLLLHJE-CYBMUJFWSA-N 305.378 -0.385 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCN(Cc2nnnn2C2CC2)CC1 1112801023 BTIYLQGPQOVTSB-OAHLLOKOSA-N 320.397 -0.021 30 20 DBED C=CCC[C@H](C)N1CCN(C(=O)CNC(=O)CNC(C)=O)CC1 1113029989 FPBLILBHVYFUOU-ZDUSSCGKSA-N 324.425 -0.262 30 20 DBED C[C@@H]1CCN(c2ccc(C#N)cn2)C[C@H]1NC(=O)CNC(N)=O 1113997774 OALAESDSPDQBDO-ZYHUDNBSSA-N 316.365 -0.047 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3cn(C)nc3C)[C@H]2C1 1114054656 OZHLFRLSTFQPOP-NHAGDIPZSA-N 315.377 -0.862 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)[C@H]3CCC3(F)F)[C@@H]2C1 1114447682 SYVOKPMTLLQMLV-GMTAPVOTSA-N 311.332 -0.173 30 20 DBED C=CCNC(=O)NC(=O)CN1C[C@H]2[C@H](NC(=O)[C@@H]3C[C@H]3C)[C@H]2C1 1114677621 FIAPYFMSCUKWOC-SSKLVLDBSA-N 320.393 -0.299 30 20 DBED CCc1oncc1C(=O)NC1[C@H]2CN(CC(=O)NCC#N)C[C@H]12 1114899304 PPWIRISEEGDPBA-QWRGUYRKSA-N 317.349 -0.463 30 20 DBED C[C@@H](CCCNc1cncc(C#N)n1)NC(=O)c1nnn(C)n1 1115053366 ZPCBORKMSUQUMM-VIFPVBQESA-N 315.341 -0.118 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3c[nH]cc3C)[C@H]2C1 1115235759 NDFAWYIFNGPULQ-NHAGDIPZSA-N 300.362 -0.267 30 20 DBED C=CCO[C@H](C)C(=O)N[C@H]1[C@@H]2CN(Cc3nnn(C)n3)C[C@@H]21 1115333305 WDVILKPKCBRCOZ-DCQANWLSSA-N 306.370 -0.652 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCN(C3CC3)C2)CCO1 1117046096 LBSAGERMYFXGOZ-WCQYABFASA-N 306.366 -0.662 30 20 DBED C#C[C@H](NC(=O)C(=O)NCCCC(=O)N(C)C)[C@H]1CCCO1 1117117277 HNGUKNBGBXCEAG-NWDGAFQWSA-N 309.366 -0.732 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N[C@@H]1CCN(C(C)(C)C)C1=O 1118158384 OKDJQCVGLCKJIL-WDEREUQCSA-N 311.382 -0.181 30 20 DBED COC1(CO)CCN(C(=O)C(=O)N(C)CC(C)(C)C#N)CC1 1118330896 CZYJPXQRJLLOJT-UHFFFAOYSA-N 311.382 -0.006 30 20 DBED CC#CCN(C)C(=O)C(=O)N1C[C@H](C(=O)OCC)C2(COC2)C1 1119026483 WIGNCBQUWYPRRL-GFCCVEGCSA-N 322.361 -0.494 30 20 DBED CC(=O)N[C@@H](C)C(=O)NC[C@H](CO)Nc1nc(C)ccc1C#N 1121010126 LHJFSTUOJHXYLB-GXFFZTMASA-N 319.365 -0.325 30 20 DBED CCSCCC(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1 1121092858 UAANKPCGZWTHKF-JTQLQIEISA-N 309.395 -0.198 30 20 DBED Cc1cc(=N[C@H](CO)CNC(=O)COCC2CC2)c(C#N)c[nH]1 1121093180 YPUDMFPYWSPAMN-AWEZNQCLSA-N 318.377 -0.001 30 20 DBED CCc1nc(C#N)cc(N[C@@H](CO)CNC(=O)[C@H]2CCOC2)n1 1121171397 HKOJPGWGDMYPQU-CMPLNLGQSA-N 319.365 -0.164 30 20 DBED Cc1[nH]nc(C(=O)NC[C@@H](CO)Nc2cnc(C#N)cn2)c1C 1121248447 BPMRJYZXOHALNH-NSHDSACASA-N 315.337 -0.109 30 20 DBED Cc1cc(=N[C@H](CO)CNC(=O)c2cnon2)c(C#N)c[nH]1 1121882011 MEVDIKZJEBNLFL-JTQLQIEISA-N 302.294 -0.731 30 20 DBED Cc1ccc(C#N)c(N[C@@H](CO)CNC(=O)c2nc[nH]n2)n1 1121892988 JAXUKIQCJRZUST-SNVBAGLBSA-N 301.310 -0.417 30 20 DBED CN1CCCC[C@@H]1C(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1 1122860069 BBFISXSAAFZTGB-VXGBXAGGSA-N 318.381 -0.857 30 20 DBED CNC(=O)NCC(=O)N1C[C@@H](Nc2cnc(C#N)cn2)C[C@@H]1C 1123322435 ZEHLPEGMUFNCGC-UWVGGRQHSA-N 317.353 -0.321 30 20 DBED C[C@H]1[C@@H](NC(=O)CC(N)=O)CCCN1c1cncc(C#N)n1 1123522699 MBKBNJJVXCMKIH-ONGXEEELSA-N 302.338 -0.303 30 20 DBED CC1(C)CN(C(=O)CNC(N)=O)C[C@@H]1N=c1cc[nH]c(C#N)n1 1123902732 WUTDMDXCJXLTKV-VIFPVBQESA-N 317.353 -0.913 30 20 DBED Cc1cc(C(=O)N(C)C[C@H](O)CN=c2cc[nH]c(C#N)n2)on1 1124174349 MMMNGBJTBUNTLU-SNVBAGLBSA-N 316.321 -0.388 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)CNC(=O)CCC)C1=O 1124311661 XLBPEOCJMKBWQQ-LBPRGKRZSA-N 310.398 -0.605 30 20 DBED C#CCNC(=O)CC(=O)NCCNC[C@@H](O)C1CCCCC1 1125981989 NZUCMOJQXVTTFV-CQSZACIVSA-N 309.410 -0.227 30 20 DBED CN(C(=O)CCNC(N)=O)C1CC(Nc2cncc(C#N)n2)C1 1126945473 CSCNTCRKFZJTMF-UHFFFAOYSA-N 317.353 -0.192 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1ccnn1CC1CCC1 1127396726 NEWVCPBJVPAAKL-UHFFFAOYSA-N 318.381 -0.358 30 20 DBED CC(C)C#CC(=O)NCc1cnn2c1CN([C@H](C)C(N)=O)CC2 1128346709 DWOBUYMQEDJUTQ-GFCCVEGCSA-N 317.393 -0.152 30 20 DBED CC(C)(C)OCC(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1 1128908433 YABFCGDREZOXGC-NEPJUHHUSA-N 306.370 -0.042 30 20 DBED C=C[C@@H](CC)CC(=O)N1C[C@H](n2ccnn2)[C@H](NCC(N)=O)C1 1129977760 FAZUPKWPAGEAPI-XQQFMLRXSA-N 320.397 -0.293 30 20 DBED C#CCN1CC[C@@H](c2n[nH]cc2CNC(=O)CCNC(N)=O)C1 1130449472 DHJOZBVQBDJOLX-LLVKDONJSA-N 318.381 -0.493 30 20 DBED N#CCNC(=O)CNCCNC(=O)[C@H]1COc2ccccc2C1 1131050947 XNPWZZHIAPCLCS-CYBMUJFWSA-N 316.361 -0.417 30 20 DBED C=CCOCCNCCNC(=O)[C@@H]1Cc2cncn2C(=O)N1 1131676514 KEULABOKMDPWLY-LBPRGKRZSA-N 307.354 -0.726 30 20 DBED COCC#CCN1C[C@H](NC(=O)Cn2cnnc2O)CC[C@@H]1C 1131977291 UZKNIZLZCSUKHK-QWHCGFSZSA-N 321.381 -0.397 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)[C@@]2(C)CCC(=O)NC2)C1=O 1132719688 WXXISZMUGZQZJH-WBMJQRKESA-N 322.409 -0.605 30 20 DBED C=C(C)CN(CC)C(=O)CNCCNC(=O)[C@]1(C)CCC(=O)N1 1133468204 WQIINLMVRUWAAG-INIZCTEOSA-N 324.425 -0.215 30 20 DBED COCC#CCN[C@H](C)C[C@H](C)NC(=O)c1cc(=O)n(C)cn1 1134667102 XYSZTPXOFWNONR-OLZOCXBDSA-N 320.393 -0.083 30 20 DBED C[C@@H](C[C@H](C)NC(=O)COCC(F)F)NCC(=O)NCC#N 1135069848 GOPWOTFTSXTVOR-UWVGGRQHSA-N 320.340 -0.219 30 20 DBED C=CCOCC(=O)N1CC2(CCN(CC(=O)NCC#N)C2)C1 1147260693 FGKREEXAUCBIQZ-UHFFFAOYSA-N 306.366 -0.637 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC2(CCN(Cc3cn(C)nn3)C2)C1 1147530747 QLJYAQUPOTTYSB-ZDUSSCGKSA-N 317.393 -0.112 30 20 DBED C=CCNC(=O)CN1CCC2(C1)CN(C(=O)[C@@H]1CCN(C)C1)C2 1148748856 ZCSCDVVHOGEWOK-CQSZACIVSA-N 320.437 -0.225 30 20 DBED C=CCNC(=O)CN1CCCO[C@@H](CNC(=O)[C@H](C)C#N)C1 1149398835 PECXKLZGQFCEGG-OLZOCXBDSA-N 308.382 -0.345 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H](C)N(CC)Cc1nnnn1C 1153327344 NDRGXHRCTVDBBQ-VXGBXAGGSA-N 308.386 -0.425 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)c1c[nH]c(C#N)c1 1156852670 JWZAIHMYXBPSBI-LLVKDONJSA-N 301.350 -0.266 30 20 DBED C=CCOCCNCCCNC(=O)CN(C)C(=O)COC 1159223572 DIOZFQZLYYSGDN-UHFFFAOYSA-N 301.387 -0.610 30 20 DBED C#CCC1(C(=O)NCCCNCC(=O)N(C)C)CCOCC1 1159644072 GMDZZBQKYZTMBF-UHFFFAOYSA-N 309.410 -0.009 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCCN[C@H]1CCN(CC)C1=O 1160209279 GLCGGXRSFYPURY-GJZGRUSLSA-N 320.437 -0.199 30 20 DBED N#CCNC(=O)CNCCCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1162833001 DTVXVFFVVHDKKC-MOWSAHLDSA-N 306.366 -0.855 30 20 DBED C[C@@H](C#N)C(=O)NCCC1(CN[C@H]2CCC(=O)NC2=O)CC1 1163859574 FVNXOGRZQUEXFQ-QWRGUYRKSA-N 306.366 -0.173 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)Cc2cncn2C)C1=O 1171236773 BNUQTOJUJRHMJT-CQSZACIVSA-N 319.409 -0.155 30 20 DBED C[C@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)COCC1CC1 1178201038 XHQRXJRTZSUJIZ-AAEUAGOBSA-N 308.382 -0.368 30 20 DBED Cn1ccc(C(=O)NCCCCCCNCC(=O)NCC#N)n1 1180265285 PXZSGNYHOKEOQK-UHFFFAOYSA-N 320.397 -0.060 30 20 DBED CNS(=O)(=O)CCC(=O)N1C[C@@H](C)[C@](C)(CNCC#N)C1 1181448326 NJWVNEITNXTALW-DGCLKSJQSA-N 316.427 -0.477 30 20 DBED CC(=O)NCC(=O)N1C[C@H](CNCC#N)C2(CCOCC2)C1 1186237246 TUQWRDXPTFKTSV-ZDUSSCGKSA-N 308.382 -0.509 30 20 DBED N#CCNC(=O)CN[C@@H]1CCN(C(=O)c2cc(Cl)no2)C1 1187276411 IVFXCFKZGASQQQ-MRVPVSSYSA-N 311.729 -0.228 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@H]1CCN(C(=O)c2cn[nH]c2)C1 1189031966 OUMKDEWACXWQKF-YPMHNXCESA-N 303.366 -0.306 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2ncccc2O)C1 1189770282 QPUXPQJROBSQBB-GFCCVEGCSA-N 316.361 -0.317 30 20 DBED Cn1nccc1CCN1C[C@@H](O)[C@H](NC(=O)CSCC#N)C1 1191149109 DMYQAJJUAHQIBL-CHWSQXEVSA-N 323.422 -0.619 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)/C=C\c2ccc[nH]2)C1 1192485165 WLCXXPZBJMGVRW-YOVCOIKASA-N 303.362 -0.161 30 20 DBED C[C@H](c1nnnn1C)N1C[C@@H](O)[C@H](NC(=O)C#CC(C)(C)C)C1 1192871586 UNBLMGGEYJJNDL-IJLUTSLNSA-N 320.397 -0.518 30 20 DBED CC#CCN(C)[C@@H]1CCN(C(=O)CN2CCC(=O)NC2=O)C1 1193312135 WGMQSMFRSSQTQC-GFCCVEGCSA-N 306.366 -0.516 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)[C@@]2(CC(C)C)CCNC2=O)C1 1193911492 MUUNDJNGNNJDKP-XJKCOSOUSA-N 309.410 -0.114 30 20 DBED CCCc1n[nH]cc1C(=O)N[C@@H]1CN(CC#CCOC)C[C@H]1O 1194374992 FJZRRACMCHHLKK-HUUCEWRRSA-N 320.393 -0.213 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)c2[nH]nnc2C)CC1 1196710427 FYPFQRUBLGZZBL-UHFFFAOYSA-N 304.354 -0.990 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)CNC(=O)c2ccccc2)C1 1198061916 HORKDEUSYGUXQT-CHWSQXEVSA-N 302.334 -0.899 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)c2ccc(O)nc2)C1 1198298446 KXWMQFCYCIMPQE-CHWSQXEVSA-N 305.334 -0.788 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)CS(=O)(=O)CCC)C1 1198761462 GYSUWEIHUCXQKZ-GHMZBOCLSA-N 324.830 -0.275 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H](CCC(C)C)NC(C)=O)C1 1199560121 ORJNGMUBLOUHKP-RBSFLKMASA-N 309.410 -0.278 30 20 DBED COCC#CCNC1CCN(C(=O)[C@@H]2CCN(C)C2=O)CC1 1202069229 WRLRMMYBIOWUJT-CQSZACIVSA-N 307.394 -0.305 30 20 DBED N#CCNC(=O)CNCC1CCN(C(=O)c2cccnn2)CC1 1206661949 QZEQDAYOYUAHOE-UHFFFAOYSA-N 316.365 -0.442 30 20 DBED C[C@@H]1CN([C@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)C#CC1CC1 1206948567 RJFVWIYYESMRIB-RTXFEEFZSA-N 303.362 -0.359 30 20 DBED C#CCN1C[C@@H](NC(=O)COC[C@H](C)N2CCCC2)[C@H](OC)C1 1213455697 JQZXHWKNMYCCEU-ARFHVFGLSA-N 323.437 -0.064 30 20 DBED C[C@@H]1CN(C(=O)[C@@H]2CCN(C)[C@@H]2C)C[C@H]1NCC(=O)NCC#N 1214662184 XJGKGDMMHVVMHH-AAVRWANBSA-N 321.425 -0.597 30 20 DBED C=C(Cl)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)CC(=O)NC 1217719818 DRTYHOQOLSIGLE-WDEREUQCSA-N 301.774 -0.213 30 20 DBED CC/C(C)=C\C(=O)N1CCO[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1217805653 AVBWTFWBUBZKRR-MIWOTCCTSA-N 320.393 -0.106 30 20 DBED C=CCCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CNC(=O)N1 1218541952 DROSPCCSVKARQO-RWMBFGLXSA-N 308.382 -0.454 30 20 DBED C=C(Cl)C(C)(C)C(=O)N[C@@H]1CN([C@@H](C)C(N)=O)C[C@@H]1O 1219702610 VYYYYKPLLVXTGB-SFGNSQDASA-N 303.790 -0.200 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)CNC(=O)c2ccccn2)C1 1221056871 LRTCJRAPXAVYJM-KGLIPLIRSA-N 318.377 -0.451 30 20 DBED CCN1CCCC[C@@H]1C(=O)N[C@@H]1CN(CC#CCOC)C[C@@H]1O 1221083016 BFEPLKHJHFPFDI-OAGGEKHMSA-N 323.437 -0.328 30 20 DBED C=CCOCCN1CC[C@@H]2CN(C(=O)CCn3cnnn3)[C@@H]2C1 1221889491 FWROGDJDEWGEFQ-ZIAGYGMSSA-N 320.397 -0.202 30 20 DBED C[C@H](C(=O)NC(N)=O)N1CCC(NC(=O)C#CC2CC2)CC1 1227272630 JKEOFNNUTUFFEO-SNVBAGLBSA-N 306.366 -0.436 30 20 DBED C#CCCN[C@@H]1CCCC[C@H]1NC(=O)c1nnc(O)nc1O 1227294448 KTZDNPHWBVNBTM-NXEZZACHSA-N 305.338 -0.063 30 20 DBED CC#CCN1CCC(NC(=O)[C@@H](C)NS(C)(=O)=O)CC1 1229364095 UJRZTHIIGONGPD-LLVKDONJSA-N 301.412 -0.472 30 20 DBED C#CCNC(=O)CN1CCC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 1267926051 VSMKDTBNBONPAS-CYBMUJFWSA-N 313.361 -0.170 30 20 DBED CC[C@H](C(=O)N[C@H]1C[C@H](CNCC(=O)NCC#N)C1)N(C)C 1277002059 UHRBGTXLDSLJEU-JHJVBQTASA-N 309.414 -0.549 30 20 DBED N#CCNC(=O)CN[C@H]1CCN(C(=O)c2ccnc(F)c2)C1 1317056780 YKPGMFXYCGCVQA-NSHDSACASA-N 305.313 -0.335 30 20 DBED Cc1nc(C(=O)NCC#N)nn1-c1n[nH]c(C(F)(F)F)n1 1319321931 VNMWUYVBHRWJGT-UHFFFAOYSA-N 300.204 -0.034 30 20 DBED CNC(=O)CNC(=S)NN=C(C)C1CCS(=O)(=O)CC1 1324209603 HVTCHNDMCQLDAP-UHFFFAOYSA-N 320.440 -0.603 30 20 DBED CCS(=O)(=O)CCNC(=O)C(=O)N[C@@H]1CC[C@H](C#N)C1 1325927189 YHGUMLCSNHMGCU-VHSXEESVSA-N 301.368 -0.654 30 20 DBED O=C1NC(=O)C(=NNc2nnc(-c3ccccn3)s2)C(=O)N1 1326192267 FXQQWAFQWWRGOQ-UHFFFAOYSA-N 317.290 -0.266 30 20 DBED CO[C@]1(C)CCCN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)C1 1326228217 VMEQVFNSVZPGMJ-HUUCEWRRSA-N 309.366 -0.109 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CC[C@H]2C[C@@H]2C1 1328475552 JGNYZQPXPVWWBX-WDEREUQCSA-N 300.380 -0.428 30 20 DBED C=CCn1c(C[C@@H](C)O)nnc1N1CCO[C@H](C(=O)OC)C1 1342132467 YMRXVOARVSFYIQ-MNOVXSKESA-N 310.354 -0.234 30 20 DBED C#CCSCCn1nnnc1N1CC[C@@H](C(=O)N(C)C)C1 1352339155 FCHJIJGGRIOCQK-LLVKDONJSA-N 308.411 -0.046 30 20 DBED Cc1c(C#N)c(=O)n(CC(=O)N2CCNC2=O)c(=O)n1C1CC1 1363766681 VUNKJLLMZKETTF-UHFFFAOYSA-N 317.305 -0.923 30 20 DBED N#Cc1ccc(CNC(=O)NC[C@]2(O)CCS(=O)(=O)C2)nc1 1364631958 GHRAXWXAOYFUAV-CYBMUJFWSA-N 324.362 -0.698 30 20 DBED C[C@@H](CN(C)C(=O)c1c[nH]c(C(N)=O)c1)NC(=O)[C@@H](C)C#N 1370522700 ZTORKTKXBYDCIF-IUCAKERBSA-N 305.338 -0.150 30 20 DBED C=C(Br)CNC[C@@H](O)CNC(=O)Cc1cnc[nH]1 1379248200 NVZRTNCKJBWIRX-SNVBAGLBSA-N 317.187 -0.073 30 20 DBED COCCN(CCNC(=O)Cc1cnc[nH]1)C(=O)[C@@H](C)C#N 1383342311 XWHFAEVEMANHLH-NSHDSACASA-N 307.354 -0.297 30 20 DBED C[C@@H](CNC(=O)CS(C)(=O)=O)NC(=O)c1ccc(C#N)[nH]1 1392756073 VXWLCAWEGVCEQI-QMMMGPOBSA-N 312.351 -0.835 30 20 DBED COCCN(CCNC(=O)[C@H](C)C#N)C(=O)Cc1cnc[nH]1 1396175932 WXPCJQUEEDZSGI-LLVKDONJSA-N 307.354 -0.297 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CCCN(C(=O)c2cc(C(N)=O)c[nH]2)C1 1398531470 HEPKRJWNTLZVNW-KOLCDFICSA-N 317.349 -0.006 30 20 DBED CCS(=O)(=O)CC(=O)N(C)CCN(C)C(=O)[C@H](C)C#N 1399717876 QJROJVQVOQNNPA-SNVBAGLBSA-N 303.384 -0.502 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CCc3nncn3C2)C1 1407820157 GLTADWYZRPSMCV-USZNOCQGSA-N 316.365 -0.236 30 20 DBED CCS(=O)(=O)CC(=O)N1CC(CNC(=O)[C@H](C)C#N)C1 1409175681 HEDRTVVEQZMCSI-SECBINFHSA-N 301.368 -0.845 30 20 DBED Cc1c(C#N)c(=O)n(CCC(=O)NC(N)=O)c(=O)n1C1CC1 1412930821 YEBURZLJUZSAOO-UHFFFAOYSA-N 305.294 -0.890 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2CCNC(=O)C2)C1 1414214091 ADMAYXDHEVVXCU-KKOKHZNYSA-N 306.366 -0.317 30 20 DBED CNC(=O)NCCC(=O)N[C@H]1C[C@@H](CNC(=O)[C@H](C)C#N)C1 1414218903 NWSIVRFIQPYKSD-MXWKQRLJSA-N 309.370 -0.524 30 20 DBED Cc1nc(N(C)CCNC(=O)CCn2cnnn2)ccc1C#N 1417680407 YBZWHDNLUUUFBQ-UHFFFAOYSA-N 314.353 -0.109 30 20 DBED CCn1cc(C(=O)N(C)C[C@@H](O)CNC(=O)[C@@H](C)C#N)cn1 1425774105 LVXZULUGYHEXOC-JQWIXIFHSA-N 307.354 -0.388 30 20 DBED CC(=O)N1CC(C(=O)N2CC[C@@H](CN(C)C(=O)[C@@H](C)C#N)C2)C1 1432058039 FZHPMDDLPFADQQ-AAEUAGOBSA-N 320.393 -0.069 30 20 DBED CC(C)CNC(=O)[C@H](C)N1CC(O)(CNC(=O)[C@H](C)C#N)C1 1440038347 KSQAYKQQEQFNOS-NEPJUHHUSA-N 310.398 -0.530 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CN(C)C(=O)c1c[nH]nc1C1CC1 1444741447 OBHPFLMNEJQZMO-MWLCHTKSSA-N 319.365 -0.004 30 20 DBED COCCN(CCNC(=O)[C@H](C)C#N)C(=O)c1ccncn1 1444964503 MSBYZFNYKHJLKS-LLVKDONJSA-N 305.338 -0.159 30 20 DBED COC(=O)CNC(=O)[C@@H]1CCCN1C(=O)c1ccc(C#N)[nH]1 1451810761 PLCMVKLIOFMSLX-NSHDSACASA-N 304.306 -0.220 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(C)(CNC(=O)Cn2cnnn2)CC1 1453983044 FPDDHAREOUSXFK-NSHDSACASA-N 319.369 -0.422 30 20 DBED N#Cc1cn(CCC(=O)NCc2ncccn2)c(=O)nc1O 1455440501 KSOLNEOUJSISJL-UHFFFAOYSA-N 300.278 -0.683 30 20 DBED COC[C@@H]1COCCN1C(=O)CCn1cc(C#N)c(O)nc1=O 1456128614 RPYOHCUASGDSIT-LLVKDONJSA-N 322.321 -0.916 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C1CCN(C[C@H](O)COC)CC1 1490408083 YTVZHOKRDNQDRL-HIFRSBDPSA-N 312.410 -0.045 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C)C(=O)COCc1nncn1C 1496500713 QXRSRHXDLYQVQJ-JTQLQIEISA-N 308.342 -0.934 30 20 DBED CNC(=O)NCCC(=O)N(C)[C@@H](CNC(=O)[C@@H](C)C#N)C1CC1 1510352046 IGXWKEDONIXHOA-JQWIXIFHSA-N 323.397 -0.182 30 20 DBED CNC(=O)NCC(=O)N1CCCC[C@@H]1CCNC(=O)[C@H](C)C#N 1532583662 VHARNHAMBCICFP-VXGBXAGGSA-N 323.397 -0.038 30 20 DBED C=CCCOCC(=O)N1CC[C@H](NC(=O)CNC(=O)O)[C@H]1C 1573360278 LFQTZLSQBKZWRZ-MNOVXSKESA-N 313.354 -0.048 30 20 DBED CC(C)C#CC(=O)N[C@@]1(CO)CCCN(CCc2cnn[nH]2)C1 1575318178 HRTJIYZCOFMLDQ-INIZCTEOSA-N 319.409 -0.050 30 20 DBED CSCC[C@H](Nc1cnc(-c2nn[nH]n2)c(C#N)n1)C(N)=O 1580225663 LHRWXKCGPUDRTI-LURJTMIESA-N 319.354 -0.453 30 20 DBED Cn1cc(-c2nn[nH]n2)c(=O)n(Cc2ccc(C#N)s2)c1=O 1581753720 PPIMGYCJTAJDFK-UHFFFAOYSA-N 315.318 -0.291 30 20 DBED CC(C)(C)OC(=O)CN1CC[C@H](N(CC#N)CC(=O)O)C1=O 1589890260 BIJZOBUZINPSQM-JTQLQIEISA-N 311.338 -0.161 30 20 DBED CN1CC[C@H](C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[nH]2)CC1=O 1591178255 IANQJSGCRBMADH-LURJTMIESA-N 315.297 -0.732 30 20 DBED Cn1cccc1C(=O)Cn1c(=O)c(C#N)cn(CC(=O)O)c1=O 1594553086 QNQPEJLVNVLQMH-UHFFFAOYSA-N 316.273 -0.812 30 20 DBED C[C@H]1CN(c2nccnc2C#N)CCN1C[C@](C)(O)C(=O)O 1609875836 RINJFGMEDYLQIG-HZMBPMFUSA-N 305.338 -0.306 30 20 DBED COc1ccc(C#N)cc1NC(=O)C[C@H](NC(C)=O)C(N)=O 1649709215 CBSWPTSYVPWKIS-NSHDSACASA-N 304.306 -0.115 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)Cc2[nH]cnc2C)C1 1661369367 FOHWCCMBDIUQFQ-LBPRGKRZSA-N 303.366 -0.799 30 20 DBED C[C@@H]1CN(C(=O)CN2CC[C@H](NC(=O)C#CC3CC3)C2)CCO1 1665459240 LXPOWKXCWQRZQA-HIFRSBDPSA-N 319.405 -0.162 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)c2ccnc(C)n2)C1 1732153287 NOVXYALGYQQFSR-LBPRGKRZSA-N 303.366 -0.109 30 20 DBED C#CCCCC(=O)N[C@]1(CO)CCCN(C[C@@H](O)COC)C1 1733590088 OJMOUOVJUFQRIT-GDBMZVCRSA-N 312.410 -0.260 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@H](C)CNC(=O)Cn1cncc1C 1752887831 GZWUBNMLSIDSSJ-DGCLKSJQSA-N 307.398 -0.023 30 20 DBED C#CCNC(=O)CN1CC(NC(=O)[C@]23CCC[C@H]2OCC3)C1 1753383040 OYYDVKXNZHUYNV-CJNGLKHVSA-N 305.378 -0.505 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC(NC(=O)Cc2c(C)noc2C)C1 1753393527 SWJJCMDQEKAPRK-LLVKDONJSA-N 318.377 -0.228 30 20 DBED C#CCNC(=O)[C@H](C)N1CC(NC(=O)Cc2c(C)noc2C)C1 1753393528 SWJJCMDQEKAPRK-NSHDSACASA-N 318.377 -0.228 30 20 DBED C#CCCN[C@H]1CC[C@H](NC(=O)CN2CCOCC2=O)CC1 1753582234 KQNLMAQLPJBWIG-HDJSIYSDSA-N 307.394 -0.115 30 20 DBED C#CCOCCC(=O)N[C@H]1CCC[C@H]1CNCc1nnn(C)n1 1753884384 HRUUBKPMKQYJHT-STQMWFEESA-N 320.397 -0.376 30 20 DBED CC(C)C#CC(=O)N[C@@H](C)CNCC(=O)N[C@H](C)C(=O)N(C)C 1754266588 ZCDGHGVIIRFTPU-QWHCGFSZSA-N 324.425 -0.667 30 20 DBED C[C@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1CNCC(=O)NC(N)=O 1754814503 BMTGAQNITIIIIQ-NWDGAFQWSA-N 322.409 -0.085 30 20 DBED COCCn1cc(C(=O)N[C@@]2(CO)CCCN(CC#N)C2)nn1 1754856166 FTELWEZUMIMJHE-AWEZNQCLSA-N 322.369 -0.995 30 20 DBED C=CCNCCN(CCO)C(=O)[C@@H]1CCc2nnc(C)n2C1 1754898070 PEEFKDLOTFKVCM-CYBMUJFWSA-N 307.398 -0.255 30 20 DBED C=CCOCCN1CCOC[C@@H]1CNC(=O)[C@@H]1COCCO1 1754964045 TXKQSRIDXCXDLT-KBPBESRZSA-N 314.382 -0.579 30 20 DBED C=CCNC(=O)CN(C)C[C@H]1CCCN1C(=O)CNC(=O)CC 1755190068 WJEQMRXYMNIJLB-CYBMUJFWSA-N 324.425 -0.262 30 20 DBED COCC#CCNCC1CC(NC(=O)[C@H]2CN(C)C(=O)N2)C1 1755214942 AOAZMEHVVPSIJL-WXRRBKDZSA-N 308.382 -0.856 30 20 DBED CCc1cc(C(=O)N[C@H](C)[C@@H](C)NCC(=O)NCC#N)n[nH]1 1755226944 FJZIKMQMEZBOPQ-NXEZZACHSA-N 306.370 -0.292 30 20 DBED C#CCN[C@H](CCN(C)C(=O)CN1C(=O)CN(C)C1=O)C(C)C 1755342469 GGHFDPGGKPARCC-CYBMUJFWSA-N 322.409 -0.024 30 20 DBED C#Cc1ccc(C(=O)N2CCO[C@H]([C@@H](C)NCC(N)=O)C2)cn1 1755462716 YNESKJZKQAEWBO-RISCZKNCSA-N 316.361 -0.633 30 20 DBED CC#CCNC[C@@H](O)CN(C)C(=O)c1cnn(CCOC)c1 1755794426 YADSBBFNVGDCTL-CQSZACIVSA-N 308.382 -0.425 30 20 DBED C#CCCN(C)C[C@H](O)CN(C)C(=O)c1nc2ncccn2n1 1755806254 ATRRRWAHJIKYNU-LBPRGKRZSA-N 316.365 -0.488 30 20 DBED CC(C)C#CC(=O)N1CC[C@@H](NC(=O)CS(C)(=O)=O)[C@@H]1C 1756562615 ZTXUCBUDTYPHBL-NWDGAFQWSA-N 314.407 -0.204 30 20 DBED C[C@H]1CCN(C(=O)CSCC#N)C[C@H]1CNC(=O)C(N)=O 1756801269 KLJRQUBEQFIMJH-VHSXEESVSA-N 312.395 -0.671 30 20 DBED CN(C)CCN(CC(=O)O)S(=O)(=O)c1occc1C#N 1777032113 XKQSNXYMNRUBGX-UHFFFAOYSA-N 301.324 -0.212 30 20 DBED C=CC[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](N)CN)CCO2)C1 1783112533 RCONFRRSNKIVNP-WWGRRREGSA-N 324.425 -0.686 30 20 DBED C[C@@H](S)C(=O)N1CC[C@@]2(CN(C(=O)CN(C)C)CCO2)C1 1783889949 NKKZBYNKOHHPRT-BXUZGUMPSA-N 315.439 -0.304 30 20 DBED O=C(O)C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1CC(=O)C1)C2 1801992279 WWHBVEWWYZRPPZ-ZSBIGDGJSA-N 318.329 -0.308 30 20 DBED CC(=O)NCC(=O)NCC(=O)N(C)Cc1cccc(C#N)c1 58834222 QNUXVDIUVGDRAO-UHFFFAOYSA-N 302.334 -0.231 30 20 DBED C=CCN(C)C(=O)Cn1cc(Br)c(=O)[nH]c1=O 152920225 VEKNZTKGBWIYCZ-UHFFFAOYSA-N 302.128 -0.057 30 20 DBED C#CCSCCNC(=O)NCCC(=O)N1CCN(C)CC1 172473450 KGVJPWZIBIHZIZ-UHFFFAOYSA-N 312.439 -0.184 30 20 DBED CC(C)NS(=O)(=O)NCC/N=C(\N)N1CCC[C@@H](C)C1 263274654 QBJDHYJCWZPYKI-LLVKDONJSA-N 305.448 -0.135 30 20 DBED CCOC(=O)c1cnn(CCCN2C(=O)CNC2=O)c1C#N 272404741 JUQWTAQONKFOKO-UHFFFAOYSA-N 305.294 -0.127 30 20 DBED N#Cc1cc(F)ccc1NC(=O)C(=O)N(CCO)CCCO 275952628 QCDBLIFTGCRZIU-UHFFFAOYSA-N 309.297 -0.161 30 20 DBED C=CCn1c(C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 282234994 JRASOAVCSCCGKZ-UHFFFAOYSA-N 320.397 -0.054 30 20 DBED C=CCCOCCNC(=O)C(=O)N1CCC(O)(COC)CC1 289382015 KOIDBBXKNGJPLB-UHFFFAOYSA-N 314.382 -0.305 30 20 DBED C=CCC(C)(C)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 293171703 PDUXUQSSBPMHPB-UHFFFAOYSA-N 306.370 -0.054 30 20 DBED C#CCn1ccc(CN(CC)C(=O)CCn2ncn(C)c2=O)n1 294423747 XAGTYBLKFNIBFE-UHFFFAOYSA-N 316.365 -0.150 30 20 DBED CCN1CCC[C@@H]1CN/C(N)=N/CCCNS(C)(=O)=O 303900151 SBZKTFOEBLOAJC-LLVKDONJSA-N 305.448 -0.686 30 20 DBED CN1CCO[C@H]2CN(C(O)=Nc3cccc(C(N)=O)n3)C[C@H]21 328916201 REFRLQKLFVJXFR-MNOVXSKESA-N 305.338 -0.259 30 20 DBED COC(=O)c1cc(C#N)c(=O)n(CC(=O)N2CCN(C)CC2)c1 330499639 KCMSJYRVPOJHIY-UHFFFAOYSA-N 318.333 -0.719 30 20 DBED CCS(=O)(=O)NCC(=O)NCC1CCN(CC#N)CC1 330518024 GCNHGWOTAORVNQ-UHFFFAOYSA-N 302.400 -0.723 30 20 DBED CCS(=O)(=O)N(C)CCC/N=C(/O)N[C@@H]1CCN(C)C1=O 330889715 OKXGJYXOUKOCMP-SNVBAGLBSA-N 320.415 -0.608 30 20 DBED CNS(=O)(=O)CCNC(=O)[C@@H]1CCCN1/C(O)=N/C(C)C 331310981 VAZMXNBZGCMKPC-JTQLQIEISA-N 320.415 -0.561 30 20 DBED N#Cc1ncn(CC(=O)N2CCN(CC3CCOCC3)CC2)n1 332320896 OWMXGAMRFUVKHA-UHFFFAOYSA-N 318.381 -0.279 30 20 DBED COC(=O)[C@@H]1C[C@H]1C(=O)N(CCC#N)CCN1CCOCC1 336995457 ZSAPBAJPLYHMQG-CHWSQXEVSA-N 309.366 -0.130 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N1[C@H](CO)CC[C@@H]1CO 344925577 XNOKRDHKGAYGNT-UTUOFQBUSA-N 305.400 -0.470 30 20 DBED CNC(=O)NCC(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 351804220 GYKFREJMPDWSMG-UHFFFAOYSA-N 319.369 -0.822 30 20 DBED CC1(C)NC(=O)N(CC(=O)NCC2CCN(CC#N)CC2)C1=O 362412060 XQCIALZOENBBEX-UHFFFAOYSA-N 321.381 -0.331 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)NCCc2nc(=O)o[nH]2)cc1 447635469 CREVMGVNNOXMSK-UHFFFAOYSA-N 315.289 -0.677 30 20 DBED COc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CCC(=O)NC1 490302456 UPUFIECTLPQEJS-SNVBAGLBSA-N 316.317 -0.100 30 20 DBED C#CCn1ccc(CN(CC)C(=O)Cn2ccc(O)nc2=O)n1 491315308 MOJDMIYEUYJJGM-UHFFFAOYSA-N 315.333 -0.173 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)Cn2ccnc2C)CC1 491729483 CPYDKAYPPPNCRR-UHFFFAOYSA-N 303.366 -0.915 30 20 DBED N#Cc1c(Cl)cccc1S(=O)(=O)N[C@@H](CO)C(=O)O 548535938 ALWFDXUABFNEAV-QMMMGPOBSA-N 304.711 -0.065 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N(CCO)[C@H](C)CC(=O)O 566312110 LAVQGNYFELAJQG-GHMZBOCLSA-N 321.399 -0.130 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)N[C@]2(C(N)=O)CCOC2)cc1 569117821 OVYKTKNBJDCJII-OAHLLOKOSA-N 316.317 -0.951 30 20 DBED CN(C)S(=O)(=O)N(C)CC(=O)NCc1ccc(C#N)s1 577759805 YJFZATSHZYXVEH-UHFFFAOYSA-N 316.408 -0.026 30 20 DBED CNC[C@H](C)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N 595245460 RJULELIBDPKXRL-VIFPVBQESA-N 306.370 0.172 30 20 DBED N#C[C@@]1(F)CCN(C(=O)[C@H]2CCCN(S(N)(=O)=O)C2)C1 597555092 YWNMHJJFDZJJIT-ONGXEEELSA-N 304.347 -0.634 30 20 DBED CN(C)[C@H]1CN(S(=O)(=O)c2ccsc2C#N)C[C@@H]1O 601416301 UPAWLNIHGGOVAU-IUCAKERBSA-N 301.393 -0.085 30 20 DBED CC#CC[C@@H](CO)NC(=O)c1ccc(S(=O)(=O)NC)nc1 649183763 ZTRDKVHFXFDDQP-NSHDSACASA-N 311.363 -0.506 30 20 DBED CC#CC[C@@H](CO)NC(=O)c1ccc(CNS(C)(=O)=O)o1 649185968 OQMVIUVZKZOKOT-JTQLQIEISA-N 314.363 -0.167 30 20 DBED N#Cc1ccnc(N2CCN(C(=S)NCC(N)=O)CC2)c1 727071286 UKSMXPSJSRIVCC-UHFFFAOYSA-N 304.379 -0.565 30 20 DBED C=C(Br)CNC(=S)NCCNS(C)(=O)=O 727085746 SUASSZHVNMOUND-UHFFFAOYSA-N 316.246 -0.092 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CCN(S(C)(=O)=O)CC1 730096210 JSMVJPXDQSFINB-ZDUSSCGKSA-N 313.423 -0.376 30 20 DBED C[C@H](CC(=O)NCC(N)=O)/N=C1/NS(=O)(=O)c2ccccc21 742518379 MRBJUUHSXJIERK-MRVPVSSYSA-N 324.362 -0.895 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)CC[C@@]1(C)CCC(=O)N1 751506084 ONTZBXPMAGNVET-CQSZACIVSA-N 311.338 -0.010 30 20 DBED C#CCOCCNC(=O)N(C)C1CCN(S(C)(=O)=O)CC1 753384217 QRHOEKDHMGBPFG-UHFFFAOYSA-N 317.411 -0.298 30 20 DBED CCN(C[C@H](C)C#N)C(=O)COC(=O)CNS(=O)(=O)CC 767389884 PDECTHKINDJPSF-SNVBAGLBSA-N 319.383 -0.523 30 20 DBED N#CCCNC(=O)CNc1ccc(S(=O)(=O)CCO)cc1 771762904 OUTOYRDZVURHAW-UHFFFAOYSA-N 311.363 -0.106 30 20 DBED C#CCCN1CCN(S(=O)(=O)[C@H](C)C(=O)N(C)C)CC1 774873162 GIMFVDWIYPFTLV-GFCCVEGCSA-N 301.412 -0.566 30 20 DBED C#C[C@H](NC(=O)N1CC[C@@H](S(N)(=O)=O)C1)[C@H]1CCCO1 774976660 IUJMFABDOANOTE-OUAUKWLOSA-N 301.368 -0.760 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@@H]1COCCN1CC 775010758 BYYFBBBMMFHOMX-MNOVXSKESA-N 313.354 -0.349 30 20 DBED C[C@@H]1CN=C(NN=C(CNS(C)(=O)=O)c2ccccc2)N1 779793693 XPLIJUBQQBRGLK-SNVBAGLBSA-N 309.395 -0.123 30 20 DBED N#Cc1c(N2CCC[C@@H](C(N)=O)C2)cccc1S(N)(=O)=O 784553456 CADXYOKMFANWKK-SECBINFHSA-N 308.363 -0.093 30 20 DBED C=CCn1c(O)nnc1S(=O)(=O)CCN1CCOC1=O 790615663 WLBILGNOFZVHMD-UHFFFAOYSA-N 302.312 -0.604 30 20 DBED CS(=O)(=O)NN=C1CCCc2ccc(S(N)(=O)=O)cc21 811644630 DAHDWLPEEBEXDE-UHFFFAOYSA-N 317.392 -0.076 30 20 DBED C[C@@H](C(=O)N(C)CC(=O)[C@H](C#N)C(=O)NC1CC1)n1cccn1 815908767 IOZMRMOIQMKZJW-JQWIXIFHSA-N 317.349 -0.110 30 20 DBED C=CCCn1cc(C(=O)NS(=O)(=O)N(C)CCOC)nn1 820247272 RHCQLZOOSPALQO-UHFFFAOYSA-N 317.371 -0.593 30 20 DBED C#CCn1ccc(CN(CC)c2cc(=O)n(C)c(=O)n2C)n1 853550133 CPJAWRAKJJBEKN-UHFFFAOYSA-N 301.350 -0.060 30 20 DBED C#CC[C@@H](CO)NC(=O)c1cccn1CCN1CCOCC1 908314351 JHFAAFREYPLZRB-AWEZNQCLSA-N 305.378 -0.066 30 20 DBED C#CCSCCNC(=O)N1CC[C@H](CS(N)(=O)=O)C1 919879175 UOZLTPAKKLSAJQ-JTQLQIEISA-N 305.425 -0.327 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2CN(C(=O)CC)CCO2)nn1 944601096 XHUBKHVDFRWROH-LLVKDONJSA-N 307.354 -0.169 30 20 DBED C[C@H](C#N)C(=O)N1CCC(NC(=O)CN2CCOCC2=O)CC1 948106532 RIPJMYPWNLKRLN-LLVKDONJSA-N 322.365 -0.888 30 20 DBED C#CCCN1CCC[C@@H](N(C)C(=O)CN2CCNC(=O)C2)CC1 948674457 YAPLNIQHIXVUAU-OAHLLOKOSA-N 320.437 -0.246 30 20 DBED C#CCCN1CCC2(CC1)CN(C(=O)[C@@H]1COC(=O)N1)CCO2 949083966 URXYOJWAOYAMNK-ZDUSSCGKSA-N 321.377 -0.189 30 20 DBED CC#CCN1CCC2(CC1)CN(C(=O)[C@H]1CCNC1=O)CCO2 949154028 MOXOTDKNTRDBSK-AWEZNQCLSA-N 319.405 -0.161 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]1CNC(=O)c1cccn(C)c1=O 951354967 ZDEOEWPTSNKBEF-QWRGUYRKSA-N 302.334 -0.124 30 20 DBED CCN(C(=O)[C@H]1CCc2nnn(C)c2C1)C1CN(CC#N)C1 951383113 NBXRPPWTVLFBOA-NSHDSACASA-N 302.382 -0.024 30 20 DBED C#CCN1C[C@H](CNC(=O)c2cnc(OC(C)C)cn2)[C@@H](O)C1 958070261 ZCARLAQLWYLAGW-JSGCOSHPSA-N 318.377 -0.081 30 20 DBED C#CCCN1C[C@@H](O)[C@H](CNC(=O)c2cc(OCC)n[nH]2)C1 958176671 XIBXDHSLVNNMBB-DGCLKSJQSA-N 306.366 -0.146 30 20 DBED C#CCCN1C[C@H](CNC(=O)c2c(O)nnc(C)c2C)[C@@H](O)C1 958313057 IWBKXJZARKZNMP-STQMWFEESA-N 318.377 -0.155 30 20 DBED CCc1c(C(=O)NC[C@@H]2CN(CC#N)C[C@@H]2O)nnn1CC 958404707 PNMNQMMLOFSOSJ-PWSUYJOCSA-N 306.370 -0.594 30 20 DBED C#CCCN1C[C@H](CNC(=O)c2c(OC)ccnc2O)[C@@H](O)C1 958595678 UFJIXKNMRHJYTP-RYUDHWBXSA-N 319.361 -0.158 30 20 DBED C=CCCN1C[C@@H](O)[C@H](CNC(=O)c2cn(C)c(=O)nc2O)C1 958665918 DWDIIVPNRCDURT-ZYHUDNBSSA-N 322.365 -0.916 30 20 DBED CN(C(=O)c1cccnn1)[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 958936504 QLPQSSGNQDKULN-KBPBESRZSA-N 314.345 -0.466 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H]2CN(C(=O)Cn3ncnn3)C[C@H]2C1 961615867 LDEXDMSCKRHEPU-TXEJJXNPSA-N 318.381 -0.198 30 20 DBED C[C@H](C#N)C(=O)N1CC2(C[C@H](NC(=O)c3cncn3C)CO2)C1 965732629 LJCPTJCBCOYKMG-MNOVXSKESA-N 317.349 -0.321 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1NC(=O)Cn1cncn1 966407220 HQJAOMRIHXSAPY-YPMHNXCESA-N 301.350 -0.345 30 20 DBED C#CCN1C[C@H]2CC[C@H]1CN2C(=O)CCN1C(=O)CCC1=O 971578251 PXGXRZKUCFQVAR-QWHCGFSZSA-N 303.362 -0.166 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)[C@@H]3CCCCC(=O)N3)[C@H]2C1 977163354 JJBBFNBFDANVOZ-JLDUMIBSSA-N 318.377 -0.222 30 20 DBED CN(C[C@@H]1CCN1C(=O)C#CC1CC1)C(=O)[C@@H]1CCNC1=O 978157120 VIXIOTIFZCDCRN-QWHCGFSZSA-N 303.362 -0.405 30 20 DBED Cc1ccnc2nc(C(=O)NCC3[C@H]4CN(CC#N)C[C@H]34)nn12 979026951 LCNKXCZITOSAAG-VXGBXAGGSA-N 311.349 -0.136 30 20 DBED C#CCN[C@H]1CCC[C@H](NC(=O)c2nccnc2C(N)=O)C1 981510269 OIFHKJPRVAYMJT-QWRGUYRKSA-N 301.350 -0.161 30 20 DBED C=CCN[C@H]1CCC[C@H](NC(=O)c2cn(CC(N)=O)nn2)C1 981541818 NKIKBJKUCPOESD-QWRGUYRKSA-N 306.370 -0.420 30 20 DBED CC#CCN1CCCC2(C1)CN(C(=O)Cn1cnnc1O)C2 981724988 AIGDPHCWWPUFNR-UHFFFAOYSA-N 303.366 -0.069 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CCCN(C(=O)CC(N)=O)C1 984017534 ZWSWKBLOJYJHHW-UPJWGTAASA-N 323.393 -0.098 30 20 DBED C[C@@H]1[C@H](NCc2nnnn2C)CCN1C(=O)c1cc(C#N)c[nH]1 986133565 NIPAYKOLRPRLFD-MWLCHTKSSA-N 314.353 -0.197 30 20 DBED C#CCN[C@@H]1C[C@H](C)N(C(=O)Cn2nc3ccccn3c2=O)C1 989258222 GSHQXKSYFVYLNH-QWHCGFSZSA-N 313.361 -0.292 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H]2CCN(C(=O)C3CC3)C[C@@H]2O)c1 991377659 CUFZFDYZMZMIEE-AAEUAGOBSA-N 302.334 -0.012 30 20 DBED O=C(N[C@@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1O)c1n[nH]cc1F 991759209 SSAHJCBBCPVDQT-NEPJUHHUSA-N 320.324 -0.346 30 20 DBED Cc1nc(C(=O)NC2CN(C(=O)C#CC3CC3)C2)c(=O)[nH]c1C 994499454 IHFCPEDGHCWMCP-UHFFFAOYSA-N 314.345 -0.259 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CCOC)C2)CC1(C)C 995868954 FPVQISBCMGYYOC-UONOGXRCSA-N 321.421 -0.059 30 20 DBED C=CCN[C@H]1CN(C(=O)c2cn(C)c(=O)n(C)c2=O)CC1(C)C 996372041 AVQVEBXSYLUGKN-LBPRGKRZSA-N 320.393 -0.290 30 20 DBED C#CCN[C@@H]1CN(C(=O)Cn2cnnn2)CC[C@H]1C(F)(F)F 998230738 HBEZIIUVTMEOKY-NXEZZACHSA-N 316.287 -0.325 30 20 DBED N#CCN1CC[C@@H](n2cc(CNC(=O)c3cocn3)nn2)C1 999953377 CECUBASLXJTRSU-LLVKDONJSA-N 301.310 -0.034 30 20 DBED CC#CCN1CCC(CNC(=O)c2cn(CC(N)=O)nn2)CC1 1002157614 KUXGVXSLLVCSIS-UHFFFAOYSA-N 318.381 -0.772 30 20 DBED C[C@H](C#N)C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cnnn1C 1002340721 XHPSAYCPWXUCGO-DBIOUOCHSA-N 302.338 -0.164 30 20 DBED C[C@H](NC(=O)[C@H]1CCCNC1=O)C1CN(C(=O)C#CC2CC2)C1 1006255488 HJTZXHIVMZFTRZ-FZMZJTMJSA-N 317.389 -0.111 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C(=O)CCN2CCCC2=O)CC1 1011171376 AEWQXBHZXXCUKW-LBPRGKRZSA-N 306.366 -0.171 30 20 DBED C[C@H]1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)CN1C(=O)C(N)=O 1018068400 DZNDNDSLTUTYBB-WCBMZHEXSA-N 303.322 -0.519 30 20 DBED N#Cc1ccc(CN[C@H]2CCN(C(=O)Cn3ncnn3)C2)cc1 1018851235 OROODGDZXZGKNC-AWEZNQCLSA-N 311.349 -0.065 30 20 DBED C[C@@H](C#N)C(=O)N1CCCO[C@@H](CNC(=O)c2ccnnc2)C1 1019684963 OZXNDHAITQLADI-AAEUAGOBSA-N 317.349 -0.016 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H](NCc2cnnn2C)C1 1020250313 AZERLXWBQBDRJD-YDHLFZDLSA-N 316.409 -0.351 30 20 DBED C#CCN1CCC(C(=O)N[C@H]2C[C@@H](N[C@@H]3CCNC3=O)C2)CC1 1023128574 KMGCASJSIUSTIZ-QLFBSQMISA-N 318.421 -0.543 30 20 DBED C=CCN[C@@H]1CC[C@@H]2CN(C(=O)CN3CCC(=O)NC3=O)C[C@@H]21 1026399758 YCGRNYCEMNCNSK-FRRDWIJNSA-N 320.393 -0.059 30 20 DBED CC#CCN1CCCC[C@H](NC(=O)Cn2ccc(O)nc2=O)C1 1034302150 PPTMKUXYWJFMID-ZDUSSCGKSA-N 318.377 -0.057 30 20 DBED C#CCN[C@H]1CC[C@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)CC1 1034788175 PNLCBBUUFFXYQG-HAQNSBGRSA-N 320.393 -0.033 30 20 DBED C=CCN1CCO[C@@H](CNC(=O)c2cc(C(N)=O)cn2C)C1 1035436179 OMMSZONALBLQJA-LBPRGKRZSA-N 306.366 -0.259 30 20 DBED C=CCN1CC[C@@H](N2CC[C@H]2CNC(=O)c2cnn[nH]2)C1=O 1038446667 CCKTWFGPBHBPAG-CMPLNLGQSA-N 304.354 -0.604 30 20 DBED CC(C)C#CC(=O)NC[C@@]1(O)CCN(C(=O)c2ccnnc2)C1 1039667985 LJHYFRNEXQOWPE-INIZCTEOSA-N 316.361 -0.171 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@]1(O)CCN(C(=O)c2ccc[nH]2)C1 1039722445 WHIIZADXFSRHIW-WBMJQRKESA-N 319.361 -0.254 30 20 DBED C[C@H]1[C@@H](Nc2ccc(C#N)nn2)CCN1C(=O)[C@H]1CCNC1=O 1040213473 OWLGLXGYWQSZRT-DLOVCJGASA-N 314.349 -0.114 30 20 DBED N#Cc1nccc(N2C[C@@H](O)[C@H](NC(=O)c3cccnc3)C2)n1 1040911540 ZPWOKPFZQNLSSP-VXGBXAGGSA-N 310.317 -0.277 30 20 DBED C=CCN1CC[C@@H](N2CC(N(C)C(=O)[C@H]3COC(=O)N3)C2)C1=O 1042675850 AOMHPCQZMAYTND-VXGBXAGGSA-N 322.365 -0.976 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)C=C2CCC2)C1 1043040854 YGZAKEYALQYZAQ-LBPRGKRZSA-N 306.362 -0.176 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)C[C@@H]2CCNC2=O)C1 1043363325 PXNNBNGHBROCLK-NSHDSACASA-N 309.366 -0.832 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)c3cocn3)C2)nn1 1043875516 ZXSRCUDIVHLXSD-KOLCDFICSA-N 300.278 -0.684 30 20 DBED C=C(C)CCC(=O)N1CC(O)(CNC(=O)[C@@]2(C)CNC(=O)C2)C1 1043947177 ZGOZLILMYWQSKU-OAHLLOKOSA-N 323.393 -0.442 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)Cc2nonc2C)C1 1045648501 SIGWEXXMGNNIBD-UHFFFAOYSA-N 322.365 -0.178 30 20 DBED Cn1ccc(CC(=O)N2CCN([C@@H]3CCN(CC#N)C3)CC2)n1 1046026910 HASNSMBINPFNFK-OAHLLOKOSA-N 316.409 -0.295 30 20 DBED C=CCN1CC[C@@](C)(NC(=O)C2CC3(C2)NC(=O)NC3=O)C1 1046697523 MJKJYCFIKMRTIJ-CIQACWJJSA-N 306.366 -0.259 30 20 DBED C#CCN1CCC(C(=O)N[C@@]2(C)CCN(CC(N)=O)C2)CC1 1046849757 IOLAGDVZKXXUBE-INIZCTEOSA-N 306.410 -0.603 30 20 DBED C=C(C)CCN1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2NC(=O)NC2=O)C1 1047414817 VWRWLPKXUUMWGZ-SRVKXCTJSA-N 324.381 -0.946 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2cn(CCC)nn2)C1 1047580842 YEERVGDBJQJJBA-KBPBESRZSA-N 305.382 -0.172 30 20 DBED C#CCCCC(=O)N(C)[C@H]1CN(C(=O)c2ccn(C)n2)C[C@@H]1O 1048754263 OMWGSZZOTMDHPM-KBPBESRZSA-N 318.377 -0.133 30 20 DBED C#CCN1C[C@H]2CN(C(=O)[C@H]3CCCCN3C(N)=O)C[C@H]2C1 1049165182 IPJCFOSREAXMKH-HZSPNIEDSA-N 304.394 -0.057 30 20 DBED C#CCCN1C[C@H]2CN(C(=O)[C@H]3CCS(=O)(=O)N3)C[C@H]2C1 1049219369 ODRCOXQRVUKUQX-FRRDWIJNSA-N 311.407 -0.908 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)[C@@H]1CCN(C(=O)COC)C1 1049766297 RYCXXOWJUPWXOA-VXGBXAGGSA-N 309.366 -0.875 30 20 DBED C=CCN1CCOC[C@@H]1CNC(=O)c1ccc(C(N)=O)cn1 1051269754 WYSJZCVUMDPVEN-LBPRGKRZSA-N 304.350 -0.203 30 20 DBED C#CCCN1CCN([C@H]2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)CC1 1052086588 VPRBFHXMLFSPRL-ZNMIVQPWSA-N 318.421 -0.650 30 20 DBED C=CCOCC(=O)N1C[C@@H](C)[C@H](CNC(=O)c2ncn(C)n2)C1 1052222080 WQTNPCZWOPXLKY-VXGBXAGGSA-N 321.381 -0.158 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)c3cc4n(n3)CCO4)CO2)C1 1053830433 ANQOSSXNCDADCJ-LBPRGKRZSA-N 316.361 -0.128 30 20 DBED C=CCN1CC2(C[C@H](NC(=O)c3cnc(O)n(C)c3=O)CO2)C1 1053890312 GQWPIESNMOLIOF-JTQLQIEISA-N 320.349 -0.755 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)c3cnc4cccnn34)CO2)C1 1053947399 BCYNDLKTNLFYLM-GFCCVEGCSA-N 311.345 -0.064 30 20 DBED C=CCN[C@@H]1CN(C(=O)CN2CCCS2(=O)=O)C[C@H]1C 1054715328 XWBBQFLSPYBDAG-VXGBXAGGSA-N 301.412 -0.356 30 20 DBED C=CCCC(=O)N[C@@]1(CO)CCCN(C(=O)CNC(C)=O)C1 1055826165 XZIGYPFRKGDRJV-HNNXBMFYSA-N 311.382 -0.442 30 20 DBED C=CCCC(=O)N1CCC[C@](CO)(NC(=O)[C@H]2CCC(=O)N2)C1 1055834949 CSRASPJKNUAVDY-WBMJQRKESA-N 323.393 -0.299 30 20 DBED Cc1nc(N2CCN(C(=O)Cn3ncnn3)CC2)ccc1C#N 1055912762 ROWMBQHYCFFHLC-UHFFFAOYSA-N 312.337 -0.403 30 20 DBED N#Cc1nccc(N2C[C@H]3C(NC(=O)[C@@H]4CCC(=O)N4)[C@@H]3C2)n1 1056261389 CTRHWQGZKBXRDJ-BBBLOLIVSA-N 312.333 -0.822 30 20 DBED CN(c1cnc(C#N)cn1)[C@@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 1057011177 KBQAOBTYLXKYRT-LLVKDONJSA-N 314.349 -0.349 30 20 DBED N#Cc1cnc(N2CCCN(C(=O)[C@H]3CCNC3=O)CC2)cn1 1057204918 RWLXZSGUMLHWRO-LBPRGKRZSA-N 314.349 -0.477 30 20 DBED Cc1nn[nH]c1C(=O)NCCN(CCO)C(=O)C#CC(C)(C)C 1057540183 KEXFBSBORFSNAE-UHFFFAOYSA-N 321.381 -0.287 30 20 DBED C#CCO[C@H](C)C(=O)N(CCO)CCNC(=O)[C@@H]1CC12CC2 1057584544 NMOKMTCHAGWSSW-OLZOCXBDSA-N 308.378 -0.238 30 20 DBED C=CCC(C)(C)C(=O)N(CCO)CCNC(=O)CNC(N)=O 1057598599 DZPMDDIZDIRYLJ-UHFFFAOYSA-N 314.386 -0.806 30 20 DBED C#Cc1ccc(C(=O)N(CCO)CCNC(=O)[C@H](C)OC)cn1 1058240309 MWPABRIUVOTCSS-LBPRGKRZSA-N 319.361 -0.352 30 20 DBED N#Cc1nccc(N2CC[C@H](NC(=O)C[C@@H]3CCC(=O)N3)C2)n1 1058396102 FCMRBRXKQYPYSD-QWRGUYRKSA-N 314.349 -0.288 30 20 DBED C#CCOCCC(=O)NCCN(CCO)C(=O)Cc1cnoc1 1058483479 KSWHHHNRCFBXJH-UHFFFAOYSA-N 323.349 -0.806 30 20 DBED Cc1cc(C#N)nc(N[C@H]2CCN(C(=O)Cn3cncn3)C2)n1 1058897088 JQUCPCSQYJXGEY-NSHDSACASA-N 312.337 -0.039 30 20 DBED Cn1ccc(=O)c(C(=O)N2CC[C@H](N=c3cc[nH]c(C#N)n3)C2)c1 1059120310 IKRJXZSEHYVPNM-NSHDSACASA-N 324.344 -0.205 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](CCNC(=O)Cc2nc[nH]n2)C1 1060289524 OUJMEPHOXXWWJU-WDEREUQCSA-N 304.354 -0.138 30 20 DBED CNC(=O)NCC(=O)N[C@H]1CC[C@H](CNC(=O)[C@@H](C)C#N)CC1 1060746111 OZHQMFCEWKMJNG-SRVKXCTJSA-N 323.397 -0.134 30 20 DBED N#Cc1nccnc1NC[C@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1 1060899341 DTTZDOHBXRFZJP-MNOVXSKESA-N 314.349 -0.113 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1COCCN1C(=O)[C@H]1CCC(=O)N1 1061569460 FMABZVYSZIQHFA-CHWSQXEVSA-N 319.361 -0.978 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1COCCN1C(=O)Cc1cc[nH]n1 1061569804 MGTCTSLOIWQPQA-CQSZACIVSA-N 316.361 -0.291 30 20 DBED Cn1nnc(C(=O)NC[C@H]2CCN(c3ccncc3C#N)C2)n1 1061706501 RGTYPNDAGCKPGU-SNVBAGLBSA-N 312.337 -0.267 30 20 DBED CC(C)(C)C#CC(=O)N1CCO[C@H](CNC(=O)CNC(N)=O)C1 1065139750 DSLBPXMXSGPJMB-LLVKDONJSA-N 324.381 -0.952 30 20 DBED N#Cc1nc(=NCC[C@H]2CCN(C(=O)CC(N)=O)C2)cc[nH]1 1066289970 KWOSWVXBUWLRFN-JTQLQIEISA-N 302.338 -0.704 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H](CN=c2cc[nH]c(C#N)n2)C1 1066601917 IEHUFCGWOXQYMM-QWRGUYRKSA-N 300.322 -0.431 30 20 DBED C#CCNC(=O)CC(=O)N(C)CCCN(C)C(=O)[C@H]1CCCO1 1066748389 SAFIOSQNUZLMTG-CYBMUJFWSA-N 323.393 -0.388 30 20 DBED C=CCCC(=O)N(C)CCCN(C)C(=O)Cn1ncn(C)c1=O 1066987428 SVDYKMWZGSDIGB-UHFFFAOYSA-N 323.397 -0.145 30 20 DBED N#Cc1cnccc1N1C[C@@H](O)[C@H](CNC(=O)c2cnccn2)C1 1067645751 QZUZULGZRLMMSJ-IUODEOHRSA-N 324.344 -0.030 30 20 DBED C=C[C@@H](CC)CC(=O)N1CC2(CC[C@@H](CNC(=O)C(N)=O)O2)C1 1068617610 CLSTXSKINWPLBM-RYUDHWBXSA-N 323.393 -0.050 30 20 DBED C=CCCC(=O)N[C@H]1COC2(C1)CN(C(=O)c1cnn(C)n1)C2 1068754246 YWOIXJGSZFKFPZ-LLVKDONJSA-N 319.365 -0.119 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2ccn(C)n2)C1 1070097337 NBMMNBKWFGXMSX-OLZOCXBDSA-N 301.354 -0.147 30 20 DBED Cc1ccnc(C(=O)N2C[C@H](n3ccnn3)[C@H](NCC#N)C2)n1 1070185063 BMWDPCPJNXUWGL-NEPJUHHUSA-N 312.337 -0.445 30 20 DBED C=CCOCC(=O)N[C@@H]1CCCN(C(=O)[C@H]2CCNC(=O)C2)C1 1070611254 JQJFYRIUMWRWSE-QWHCGFSZSA-N 323.393 -0.178 30 20 DBED C#CCCN1C[C@H]2C[C@H]3CN(C(=O)c4nc[nH]n4)C[C@@]3(C1)O2 1070869438 OTPFJYBZURXOQD-YWPYICTPSA-N 301.350 -0.257 30 20 DBED CC#CCN1C[C@H]2C[C@@H]3CN(C(=O)c4nc[nH]n4)C[C@@]3(C1)O2 1070869743 YAILZJBHVHOSNT-LALPHHSUSA-N 301.350 -0.257 30 20 DBED C[C@@H]1C[C@@H](C(=O)N2CCC(=O)NCCN(CC#N)CC2)CCO1 1071010378 IYDAMRHOPOCGJN-KGLIPLIRSA-N 322.409 -0.024 30 20 DBED N#CCN[C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 1071082256 QYSFJAGHGZDGAZ-AGIUHOORSA-N 321.381 -0.823 30 20 DBED C#CCOCCC(=O)N1C[C@@H](NC(=O)Cc2nc[nH]n2)[C@H](C)C1 1072100502 HXABAWPVNBYCPV-VXGBXAGGSA-N 319.365 -0.650 30 20 DBED C=CCCC(=O)N[C@H]1CN(C(=O)c2nnc(O)nc2O)C[C@H]1C 1072453922 QMGVOMOMJBFUDB-BDAKNGLRSA-N 321.337 -0.174 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](NC(=O)CCOC)[C@@H](C)C1 1073622413 QDOYWMXUSMGFJI-QWHCGFSZSA-N 323.393 -0.484 30 20 DBED N#CCN1CCCO[C@H](CNC(=O)[C@@H]2CCCCC(=O)N2)C1 1073763041 UEVRLGJJMMJFRT-OLZOCXBDSA-N 308.382 -0.224 30 20 DBED O=C1CC[C@H](N2C[C@@H]3CCN(C(=O)C#CC4CC4)[C@@H]3C2)C(=O)N1 1075780450 NHXKFAVNUJETHU-MELADBBJSA-N 315.373 -0.262 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CN(C)CCO2)C1 1076833986 AYRIJOXUWGQRDZ-UTUOFQBUSA-N 303.790 -0.769 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2cc(CN3CCCC3)on2)C1 1077684269 OUPLSHABDZWTTO-ZIAGYGMSSA-N 319.365 -0.431 30 20 DBED N#CCSCC(=O)NC1(CO)CCN(C(=O)C(F)F)CC1 1080733839 MRNYUJKKTMSNEV-UHFFFAOYSA-N 321.349 -0.022 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H](CNC(=O)C=C(C)C)[C@@H](O)C1 1081224918 BVRKECYSVUWVKU-STQMWFEESA-N 321.377 -0.972 30 20 DBED C#CCCCC(=O)N1C[C@H](CNC(=O)c2cnnn2C)[C@@H](O)C1 1081445107 QZWPFLTUWWJVMF-AAEUAGOBSA-N 319.365 -0.832 30 20 DBED CCN(CC)CC(=O)N1C[C@@H](O)[C@H](CNC(=O)C#CC2CC2)C1 1081470545 BNATYQDALYCDDY-HUUCEWRRSA-N 321.421 -0.323 30 20 DBED C=C(C)CCN1C[C@@H](NC(=O)C2CS(=O)(=O)C2)[C@H](OC)C1 1081731867 YMNSOFNSTKLCMJ-CHWSQXEVSA-N 316.423 -0.187 30 20 DBED CN(C)CCC(=O)NC[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 1081732053 BXYQEFFWPSQIRM-KGLIPLIRSA-N 307.394 -0.713 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)[C@H](C)N2CCOCC2)C1 1084127646 QMZDNHGWGRAXER-XQQFMLRXSA-N 317.817 -0.379 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CCN(CCN3C(=O)CNC3=O)C[C@H]21 1084232880 LJJUTNMJZSUPBS-QJPTWQEYSA-N 319.365 -0.769 30 20 DBED CC(=O)Nc1ccc(C(=O)N[C@H]2CCN(CC#N)C[C@@H]2O)nc1 1090314361 ZXMKSJUYNHKCSK-JSGCOSHPSA-N 317.349 -0.271 30 20 DBED CO[C@@H](C)CC(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1O 1090396114 WPRWEFYJKSTRAZ-MVWJERBFSA-N 305.338 -0.561 30 20 DBED NC(=O)C(=O)N[C@H]1CCN(CC#Cc2ccc(F)cc2)C[C@H]1O 1090531053 IBCAAGOZZGHGBE-UONOGXRCSA-N 319.336 -0.786 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2cnc(O)cc2OC)[C@H](O)C1 1090578608 WZQOVVABMFLOHL-CHWSQXEVSA-N 319.361 -0.016 30 20 DBED C#CCCN1CC[C@H](NC(=O)Cn2c(C)csc2=O)[C@@H](O)C1 1090797501 ZWKFGKADWFPSHE-STQMWFEESA-N 323.418 -0.207 30 20 DBED COCCC(=O)N[C@@H]1CN(c2nc(C)ccc2C#N)C[C@@H]1O 1091062367 MYGJGJZOTBWFFH-OLZOCXBDSA-N 304.350 -0.036 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1C[C@@H](CNC(=O)Cn2cnnn2)C1 1091310538 CZVOTKBPMRTIIW-KLPPZKSPSA-N 312.337 -0.631 30 20 DBED N#CCNC1CCC2(CC1)CN(C(=O)[C@H]1CCC(=O)N1)CCO2 1093390837 BRPZCZHPJLZRSE-MFOWVQHXSA-N 320.393 -0.082 30 20 DBED N#Cc1c[nH]ccc1=NCCNC(=O)c1nccnc1C(N)=O 1093624929 DVRRZLIKYHQLKP-UHFFFAOYSA-N 311.305 -0.894 30 20 DBED CO[C@@H](C(=O)NCCNc1nccnc1C#N)[C@@H]1CCOC1 1094011727 PYVGBMSQZNTLLC-ZYHUDNBSSA-N 305.338 -0.072 30 20 DBED Cc1cc(C#N)nc(NCCNC(=O)[C@@H]2CCC(=O)N2C)n1 1094042810 KXRVBMWPTGKKKI-NSHDSACASA-N 302.338 -0.194 30 20 DBED CN1C(=O)CC[C@@H]1CC(=O)NCCN=c1cc[nH]c(C#N)n1 1094055945 QTZHFHHHDVUNRI-SNVBAGLBSA-N 302.338 -0.691 30 20 DBED C#CCN1CCN(C(=O)[C@@H]2CC2(C)C)[C@@H]2CS(=O)(=O)C[C@@H]21 1094627123 ONGMQUIATJAFOX-RWMBFGLXSA-N 310.419 -0.025 30 20 DBED N#Cc1cccnc1N[C@H](CNC(=O)Cn1cnnn1)C1CC1 1096568486 YJCWKFJVANMQIU-GFCCVEGCSA-N 312.337 -0.053 30 20 DBED C[C@H](CC(=O)N1CC[C@H](Nc2cnc(C#N)cn2)C1)NC(N)=O 1096961000 NVIXKWHKTVNZNG-ZJUUUORDSA-N 317.353 -0.192 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCCC(=O)N1)Nc1cncc(C#N)n1 1098117776 PVWLMRYUVLNHKO-GXSJLCMTSA-N 302.338 -0.066 30 20 DBED C#CCNC(=O)[C@@H](C)NCc1cn([C@H]2CCN(C(C)=O)C2)nn1 1098592865 ZAIJXYXSDKSXDW-RISCZKNCSA-N 318.381 -0.701 30 20 DBED CCCNC(=O)CN1CC[C@H](NC(=O)C#CC2CC2)[C@@H](O)C1 1099825864 BLGGOIKXWDAPKN-KBPBESRZSA-N 307.394 -0.523 30 20 DBED C=CCN1CC[C@H](NC(=O)CC(=O)NCC(F)(F)F)[C@H](O)C1 1100055778 IRYSKBTZOWZCCE-VHSXEESVSA-N 323.315 -0.208 30 20 DBED Cc1nc(O)[nH]c1C(=O)NCCN(C)c1ccc(C#N)nn1 1100189508 NEHWVBKHHRUGNW-UHFFFAOYSA-N 301.310 -0.048 30 20 DBED C[C@@H](C#N)C(=O)NCC1CC(NCCCN2C(=O)CNC2=O)C1 1100197818 DVOPUEOOXDSBTN-UNXYVOJBSA-N 321.381 -0.428 30 20 DBED Cc1nc(N(C)CCNC(=O)[C@@H]2CNC(=O)N2)ccc1C#N 1100308683 NDIIVBOGJZDCOV-NSHDSACASA-N 302.338 -0.505 30 20 DBED CN(CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)c1ncccc1C#N 1100324533 STFWWOVUCMFTMB-NWDGAFQWSA-N 317.349 -0.461 30 20 DBED CN(CCNC(=O)CN1CCCCC1=O)c1ccc(C#N)nn1 1100401786 JVONZBCODUVCMM-UHFFFAOYSA-N 316.365 -0.087 30 20 DBED CCN(CCNC(=O)[C@H]1CNC(=O)N1)c1ncccc1C#N 1100699036 WQHQPDVHZZMEPA-LLVKDONJSA-N 302.338 -0.423 30 20 DBED C=CCOCCN1CC2(C[C@H](NC(=O)C(N)=O)c3nccn32)C1 1101640886 GEXDWQLWLKJNIF-NSHDSACASA-N 319.365 -0.857 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)[C@@H]1CCCCC(=O)N1 1101957327 YVJCYKBWZYWIIN-NSHDSACASA-N 316.365 -0.301 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H]1CN(CC(=O)N2CCC2)C[C@H]1C 1101958380 CLSBMYQUEVCWCT-RBSFLKMASA-N 321.421 -0.059 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H]1CN(Cc2nnnn2C)C[C@H]1C 1101958524 IVQSZESJKFNPAH-JHJVBQTASA-N 320.397 -0.568 30 20 DBED C#CCCN1C[C@@H](C)[C@H](CNC(=O)C[C@H]2CC(=O)NC2=O)C1 1102623124 SNFRRRHROMLDNN-FRRDWIJNSA-N 305.378 -0.253 30 20 DBED CC[C@H](CNC(=O)c1cnn(C)c1N)N=c1cc[nH]c(C#N)n1 1103066672 BTZCILGAHPORIE-SECBINFHSA-N 314.353 -0.294 30 20 DBED COC[C@H](OC)C(=O)N(C)CCN(C)c1ccnc(C#N)n1 1105562795 SUEUQWQWZQQDGN-NSHDSACASA-N 307.354 -0.096 30 20 DBED Cc1ocnc1C(=O)NC[C@@H](O)CNc1ccc(C#N)nn1 1105728946 DWGYJHZMHWAHRM-JTQLQIEISA-N 302.294 -0.153 30 20 DBED Cc1cc(C(=O)NC[C@@H](O)CNc2cnc(C#N)cn2)n(C)n1 1105733047 GVUPIMISEGZJSF-NSHDSACASA-N 315.337 -0.407 30 20 DBED Cc1cc(CC(=O)NC[C@H](O)CNc2cnc(C#N)cn2)no1 1105765919 KQDUOTWUDBCGHB-GFCCVEGCSA-N 316.321 -0.224 30 20 DBED Cc1conc1C(=O)NC[C@H](O)CNc1cncc(C#N)n1 1105955006 KOEHSQLCCQVLFG-SNVBAGLBSA-N 302.294 -0.153 30 20 DBED CO[C@@H](C(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1)C1CCC1 1106037658 FDZWBSOKAHYRMD-BXUZGUMPSA-N 319.365 -0.526 30 20 DBED Cc1cnn(C)c1C(=O)NC[C@@H](O)CN=c1cc[nH]cc1C#N 1106059729 HXZMZMQUAQNBSC-LBPRGKRZSA-N 314.349 -0.380 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)c2csc(O)n2)nn1 1106066871 MBLTXMHHXWZZMY-MRVPVSSYSA-N 320.334 -0.287 30 20 DBED C#CCCN1CC(n2cc(CNC(=O)Cc3nc[nH]n3)nn2)C1 1107227949 UYSMTMAVHRGDLS-UHFFFAOYSA-N 314.353 -0.865 30 20 DBED C[C@H](CNc1cncc(C#N)n1)NC(=O)CN1CCCC1=O 1107636815 YLRZPXHEICFDMS-SNVBAGLBSA-N 302.338 -0.113 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@]1(C)CN(CCS(C)(=O)=O)CCO1 1107820699 BGRKVSMZXMXUAK-AAEUAGOBSA-N 317.411 -0.602 30 20 DBED C#CCNC(=O)CN1CCO[C@@](C)(CNC(=O)C2CC(C)C2)C1 1107859221 RGNCPQHEHJAFNH-KVULBXGLSA-N 321.421 -0.011 30 20 DBED CC1(C)C[C@H]1C(=O)NC[C@]1(C)CN(CC(=O)NCC#N)CCO1 1107874148 KVNYGFKJAUHECC-BLLLJJGKSA-N 322.409 -0.121 30 20 DBED C[C@H](CNc1ncccc1C#N)NC(=O)CN1CC(=O)NC1=O 1107878471 YNSQEFGDVWIVOA-SECBINFHSA-N 316.321 -0.578 30 20 DBED C=CCN1CCO[C@@](C)(CNC(=O)CN2CC(=O)N(C)C2=O)C1 1108337675 AIEUBNKDSIEXNP-HNNXBMFYSA-N 324.381 -0.727 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)CCc2cn(C)nn2)C1 1108443866 UDGXZGDBPBVIPJ-HNNXBMFYSA-N 305.382 -0.412 30 20 DBED COCC#CCN1CC(N2C[C@@H](NC(=O)[C@H](C)C#N)CC2=O)C1 1108527451 JHHUNYKTMYYKEZ-OLZOCXBDSA-N 318.377 -0.803 30 20 DBED CC#CCN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN1CCOCC1=O)C2 1108705110 XYDTYQINFRFXPR-ZNMIVQPWSA-N 319.405 -0.162 30 20 DBED C[C@H](CN(C)c1cncc(C#N)n1)NC(=O)[C@H]1CCNC(=O)C1 1108894048 ADELYDJDXSAVLE-MNOVXSKESA-N 316.365 -0.185 30 20 DBED C[C@H](CN(C)c1ccc(C#N)cn1)NC(=O)CCn1cnnn1 1109054056 QQDDQOPAHPIDIG-LLVKDONJSA-N 314.353 -0.029 30 20 DBED C[C@H](CN(C)c1ccnc(C#N)n1)NC(=O)[C@H](C)CC(N)=O 1109205899 PWXSFVVXSZVZAM-NXEZZACHSA-N 304.354 -0.199 30 20 DBED CN(CCCNc1nccnc1C#N)C(=O)Cn1cnnc1O 1109416879 CCRYYCJNGATHGZ-UHFFFAOYSA-N 316.325 -0.394 30 20 DBED N#CCSCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1nc(O)n[nH]1 1110300719 KROGDLOGRRNSMD-BBBLOLIVSA-N 322.394 -0.011 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCN(C)C 1110980945 BVMFAHDWSPTMCR-MCIONIFRSA-N 306.410 -0.591 30 20 DBED N#Cc1ccc(NCCN(CCO)C(=O)c2cc[nH]n2)nn1 1111426510 ATPQAQJMADPSPT-UHFFFAOYSA-N 301.310 -0.382 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)C#N)C1 1111667244 YBJZIJHYUUACEN-XEZPLFJOSA-N 302.378 -0.134 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)c2cc[n+]([O-])cc2)CC1 1112601407 RIHJMWZGVBAVQV-ZDUSSCGKSA-N 318.377 -0.232 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)CO[C@@H]2CCOC2)CC1 1112845243 ZQYHYCOVCISSDN-CYBMUJFWSA-N 311.382 -0.762 30 20 DBED Cn1cc(Cl)c(C(=O)N2CCN(CC(=O)NCC#N)CC2)n1 1112880620 LTTXCELJCQNYSG-UHFFFAOYSA-N 324.772 -0.529 30 20 DBED C[C@H](NC(=O)C1(C(N)=O)CC1)[C@@H](C)Nc1nccnc1C#N 1113274727 VEJULWKWRPKYTR-BDAKNGLRSA-N 302.338 -0.081 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@@H]2CN(Cc3cc(C)no3)C[C@@H]12 1114158473 XVBXKNBRUXIAOM-CHWSQXEVSA-N 316.361 -0.331 30 20 DBED C=C[C@](C)(O)CC(=O)NC1[C@@H]2CN(CC(=O)N3CCC3)C[C@@H]12 1114193995 KDSHTYWSVSAQIQ-HSMVNMDESA-N 307.394 -0.408 30 20 DBED COCC#CCN1C[C@@H]2C(NC(=O)COCC(F)F)[C@H]2C1 1114619060 PQEPBJUTVDLONU-QWRGUYRKSA-N 302.321 -0.036 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)CCN(C)C)[C@@H]2C1 1114780182 GGJGRDRENIBWJH-YNEHKIRRSA-N 308.426 -0.325 30 20 DBED C#CCN(CC)C(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1 1116782853 IKQZOYIRBHPBDW-UHFFFAOYSA-N 309.347 -0.246 30 20 DBED N#C[C@H]1CC[C@@H](NC(=O)C(=O)NCCOC[C@H]2CCOC2)C1 1118110376 BQYBVCHAVTYEJQ-RWMBFGLXSA-N 309.366 -0.036 30 20 DBED C[C@H](CN1CCOCC1)NC(=O)C(=O)N1CCC[C@H](CC#N)C1 1118590270 FIWFXSGSISAZQJ-ZIAGYGMSSA-N 322.409 -0.024 30 20 DBED C=CCC1(O)CCN(C(=O)C(=O)NCc2nccn2C)CC1 1119536536 ZOHYDTHORLHSID-UHFFFAOYSA-N 306.366 -0.034 30 20 DBED CCn1ncc(C(=O)NC[C@H](CO)N=c2cc[nH]cc2C#N)n1 1121471302 BBTOCSPRTMUSQL-LLVKDONJSA-N 315.337 -0.811 30 20 DBED COCCCOCC(=O)NC[C@@H](CO)Nc1ccc(C#N)nc1 1122052044 DFDZBXYHNGLPQN-AWEZNQCLSA-N 322.365 -0.105 30 20 DBED N#Cc1nccnc1N[C@@H](CO)CNC(=O)c1cncnc1O 1122170923 VHLJPZXDFJLYJT-MRVPVSSYSA-N 315.293 -0.953 30 20 DBED Cc1c[nH]c(C(=O)NC[C@H](CO)N=c2cc[nH]c(C#N)n2)n1 1122688030 NKTRDEIOCZATMI-SECBINFHSA-N 301.310 -0.996 30 20 DBED CC(=O)NCC(=O)N(C)C[C@@H](O)CNc1ccc(C#N)c(C)n1 1124086694 PTKUFNMBNMAWKZ-ZDUSSCGKSA-N 319.365 -0.371 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)/C=C/c1ccc[nH]1 1126238605 NUVDZRXIYYKALN-AATRIKPKSA-N 319.365 -0.255 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)[C@@H](C)c1ccnn1C 1127588542 DVRVDHNGAFWZTK-RYUDHWBXSA-N 307.398 -0.080 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)CCCNC(=O)C1CC1 1128702093 ZPKFZQWHYQANDZ-LBPRGKRZSA-N 324.425 -0.311 30 20 DBED N#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)CC2(O)CCC2)C1 1128989609 QSFNLORGBALGIE-NEPJUHHUSA-N 304.354 -0.552 30 20 DBED C#CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)CCCC(N)=O)C1 1129484955 QZUXEPKWUIDRKG-OLZOCXBDSA-N 318.381 -0.702 30 20 DBED C#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)COC)CC1 1130266963 ZVOCQBJLIILTMS-CJNGLKHVSA-N 307.394 -0.259 30 20 DBED C=C(C)CN1CCNC(=O)CCN(C(=O)[C@H](C)CC(N)=O)CC1 1131371951 TUXQQURLKLENGH-CYBMUJFWSA-N 324.425 -0.276 30 20 DBED C=C(C)CN1C[C@H](NC(=O)CNC(=O)CNC(C)=O)CC[C@@H]1C 1132131771 JIVRQORIJRITRX-GXTWGEPZSA-N 324.425 -0.216 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)c2nc[nH]n2)CC[C@@H]1C 1132369444 XGMYBAWINVSGOJ-QWRGUYRKSA-N 306.370 -0.310 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](C)[C@@H](CNCC(=O)NC)C1 1132827086 COQAGKYUGXLBLL-KGLIPLIRSA-N 309.410 -0.154 30 20 DBED C=CCCCC(=O)NCCNCC(=O)N1CCC[C@@H](C(N)=O)C1 1133154710 RBEKPCMOSVBLKG-CYBMUJFWSA-N 324.425 -0.228 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)[C@H](C)C(C)(F)F 1133968340 VMVGLFNGFIZOBK-VIFPVBQESA-N 320.340 -0.005 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)c1cnn(C)n1 1135671816 XTROKSNHNJZMRM-GHMZBOCLSA-N 306.370 -0.949 30 20 DBED C=CCC1(C(=O)NCCNCc2nnn(C)n2)CCOCC1 1149318734 YUJGLKKPVQYEGO-UHFFFAOYSA-N 308.386 -0.211 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)NCCN[C@@H](C)C(=O)NC 1152404837 MZMXCIRXANGKCZ-JTQLQIEISA-N 313.402 -0.910 30 20 DBED C=CCCOCC(=O)NCCNC[C@@H](O)CO[C@H](C)COC 1153086068 QJLUKFAGHVAJAM-ZIAGYGMSSA-N 318.414 -0.303 30 20 DBED C[C@@H](C#N)C(=O)NCCCNC[C@H](O)COC1CCOCC1 1155848793 PAJSOMDAUBROJT-STQMWFEESA-N 313.398 -0.202 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)CCc2nc[nH]n2)C1=O 1156336817 TWTGNUXEPVEYEZ-GFCCVEGCSA-N 320.397 -0.380 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)CCc1ccnn1C 1159128871 DWKMHZSPBDYGNU-CYBMUJFWSA-N 319.409 -0.414 30 20 DBED COCC#CCNCCCNC(=O)COCc1nccn1C 1160583940 DPZPPNJNLUHEMW-UHFFFAOYSA-N 308.382 -0.318 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)COc1cnn(C)c1 1164684809 KKWPSGCECRBLBL-GFCCVEGCSA-N 321.381 -0.967 30 20 DBED CC[C@@H](C(=O)NCCCNCC(=O)NCC#N)N(CC)CC 1166424370 FJGZLRUZCZUTJP-ZDUSSCGKSA-N 311.430 -0.158 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)[C@@H](CC)NC(C)=O)C1=O 1167186352 VJXWNJCOPPWTAR-KGLIPLIRSA-N 324.425 -0.216 30 20 DBED C#CCCNCCCC[C@H](C)NC(=O)CN1C(=O)CNC1=O 1176487681 UVJGFSLCLZGXSV-LBPRGKRZSA-N 308.382 -0.174 30 20 DBED CC#CCN1CCO[C@H]2CCN(C(=O)CNC(=O)OC)C[C@H]21 1176937942 QDBGYPRTMSWKFN-OLZOCXBDSA-N 309.366 -0.333 30 20 DBED C#CCCN1CCO[C@@H]2CCN(C(=O)CNC(=O)CC)C[C@@H]21 1176961945 CVKHFZZXGGWJBJ-UONOGXRCSA-N 307.394 -0.162 30 20 DBED C=CCOCC(=O)N1C[C@@H](C)[C@](C)(CNCc2nnnn2C)C1 1180892564 GNZUPCOTTUVQEJ-IUODEOHRSA-N 322.413 -0.013 30 20 DBED CC#CCN[C@@H]1CCN(C(=O)Cn2nc3ccccn3c2=O)C1 1184763479 YQMBSBNRXYHJKW-CYBMUJFWSA-N 313.361 -0.290 30 20 DBED N#CCNCc1cn([C@H]2CCCN(C(=O)c3cnon3)C2)nn1 1186011216 ICWFUIJMBFFGKL-NSHDSACASA-N 316.325 -0.248 30 20 DBED CC#CCN[C@@H]1CCCO[C@H]1C1CCN(C(=O)C(N)=O)CC1 1186137276 UNXOLRBURVTANV-KGLIPLIRSA-N 307.394 -0.129 30 20 DBED C#CCNC[C@@H]1CN(C(=O)[C@H]2CCNC2=O)CC12CCOCC2 1186445033 KVLFPHKBZYVLIA-KGLIPLIRSA-N 319.405 -0.400 30 20 DBED N#CCNC[C@H]1CN(C(=O)[C@H]2CCNC2=O)CC12CCOCC2 1186445304 NOVKTDHXHBVCMJ-STQMWFEESA-N 320.393 -0.509 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2cnnn2CC)C1 1189984721 VUBBHQGHVNXSMT-LBPRGKRZSA-N 320.397 -0.254 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)c2coc(C)c2)C1 1192453795 RTPWRBPDNMHJMV-IACUBPJLSA-N 319.361 -0.499 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(C[C@@H](O)Cn2cccn2)C[C@H]1O 1192805283 WQTBUHVYVWHJNI-RBSFLKMASA-N 320.393 -0.935 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2cc(OC)no2)C[C@H]1O 1192892365 WPEWONKCRHVWNF-CHWSQXEVSA-N 323.349 -0.616 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)[C@@H](C)n2cncn2)CC1 1195516180 YTMPAHFLPZJZFQ-CYBMUJFWSA-N 320.397 -0.324 30 20 DBED N#CCNC(=O)CN1CCCN(C(=O)C2CCC(O)CC2)CC1 1195651788 AOLASLDVXOUAOH-UHFFFAOYSA-N 322.409 -0.288 30 20 DBED COCC#CCN1CCCN(C(=O)[C@H]2CC(=O)N(C)C2)CC1 1196018173 MECJJMUWRRIDJE-AWEZNQCLSA-N 307.394 -0.351 30 20 DBED COc1ccccc1[C@@H](CNC(=O)c1nnn(C)n1)NCC#N 1198843420 PXQHXVMYZYXDLZ-LLVKDONJSA-N 315.337 -0.197 30 20 DBED CCCNC(=O)NC(=O)CNC1CCN(C(=O)[C@@H](C)C#N)CC1 1199825984 DWKUOONSWXRELE-NSHDSACASA-N 323.397 -0.038 30 20 DBED C=CCNC(=O)[C@H](C)NC1CCN(C(=O)[C@H](C)CC(N)=O)CC1 1201957630 AJXMIWOBKCRSLD-NEPJUHHUSA-N 324.425 -0.231 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)c1cncnc1 1206892795 IKPNGPTVTRYTID-ZYHUDNBSSA-N 302.338 -0.834 30 20 DBED C#CCNCC1CCN(C(=O)CC[C@H]2NC(=O)NC2=O)CC1 1206917515 KAZMEWOTJIXGDF-GFCCVEGCSA-N 306.366 -0.564 30 20 DBED C#CCC1(C(=O)N[C@@H]2CN(CC(=O)NC(N)=O)C[C@H]2C)CCC1 1207511134 ZQEDBHCSDZYUPP-VXGBXAGGSA-N 320.393 -0.189 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC[C@H](NCc2nc(=O)n(C)[nH]2)C1 1208018912 WEBHKAIEEXZPME-RYUDHWBXSA-N 321.381 -0.773 30 20 DBED CCCCS(=O)(=O)NCC(=O)N1CCC[C@H](NCC#N)C1 1210857031 CUUZBLOSSKBGRA-LBPRGKRZSA-N 316.427 -0.190 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)c2ccccn2)[C@H](OC)C1 1211761737 JQDOYBZKWISCCD-ZIAGYGMSSA-N 318.377 -0.187 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)c2ccon2)[C@H](OC)C1 1211947138 MVIGQQGQEFEEEA-CYZMBNFOSA-N 322.365 -0.206 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)Cn2cccn2)C[C@H]1C 1214140140 ZGRYCSWPRXQICU-MGPQQGTHSA-N 317.393 -0.543 30 20 DBED C=CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CS(=O)(=O)C(C)C 1219039617 RPPPEZYLQQVTNU-QWHCGFSZSA-N 316.423 -0.093 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2ccsc2)C1 1219165501 XSRSPRWFSZWECW-NEPJUHHUSA-N 309.391 -0.175 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)c2ccns2)C1 1219719055 ZLRWXAQANWCCKJ-AXFHLTTASA-N 322.390 -0.944 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)C1 1220040784 GYNSQNPTOOCQAD-NDBYEHHHSA-N 311.382 -0.853 30 20 DBED C=CCNC(=O)CN1CC[C@@H]2CN(C(=O)[C@H]3CCC(=O)N3)[C@@H]2C1 1221434364 PFCNBFUSHKJAHL-JHJVBQTASA-N 320.393 -0.900 30 20 DBED C[C@@H](C#N)C(=O)NCC1CCN(CCNS(C)(=O)=O)CC1 1222664059 LOYQUVQMEWIYRV-NSHDSACASA-N 316.427 -0.477 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCC(NC(=O)c2[nH]nnc2C)CC1 1228559727 FCTDBUIJLYRJNW-LLVKDONJSA-N 320.397 -0.002 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1nc[nH]n1 1229195276 XROXZHSJCBSLJD-GHMZBOCLSA-N 306.370 -0.263 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N1CCO[C@@H](COC(C)C)C1 1261154353 JDIYPICZVVXXHX-QWHCGFSZSA-N 314.382 -0.044 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)N2CCC[C@]23CCOC3=O)C1 1261487261 QRQYNCDHWLYOQN-LSDHHAIUSA-N 321.333 -0.828 30 20 DBED CN(CC1(O)CCOCC1)C(=O)C(=O)N1CCC[C@@H](C#N)C1 1262533550 IYMIOYJPWGQNFS-LBPRGKRZSA-N 309.366 -0.252 30 20 DBED N#CCNC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1 1318113146 INJDPFFFOPDRCK-UHFFFAOYSA-N 324.362 -0.576 30 20 DBED N#CCCCCS(=O)(=O)NCC1(C(N)=O)CCOCC1 1318358698 GGLVZADYCDYJNI-UHFFFAOYSA-N 303.384 -0.118 30 20 DBED C[C@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)Nc1cnn(CC#N)c1 1319439337 NUYHCABYGIZVOR-GXFFZTMASA-N 316.365 -0.056 30 20 DBED C=CCN(C(=O)C(=O)Nc1cnn(CC(N)=O)c1)[C@H](C)COC 1327612056 LUSRKNUHPNQGOF-SNVBAGLBSA-N 323.353 -0.644 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)NCC1([S@@](C)=O)CCC1 1329913449 CRVVLUJEPHPRFI-CFMSYZGJSA-N 302.396 -0.279 30 20 DBED Cn1cc(N2C[C@H](C(=O)NC3(C#N)CCOCC3)CC2=O)cn1 1330455850 DAKKTGRPLIHWFK-LLVKDONJSA-N 317.349 -0.038 30 20 DBED CC(=O)N1CC[C@@H](NC(=O)C(=O)Nc2cc(C)c(C#N)cn2)C1 1334667002 CGHIEJKEHLLNBB-GFCCVEGCSA-N 315.333 -0.063 30 20 DBED C[C@H](CC#N)NC(=O)C(=O)Nc1ccc(S(C)(=O)=O)nc1 1338694210 UNXSIXARSDQRMS-MRVPVSSYSA-N 310.335 -0.158 30 20 DBED C=CCn1c(N2CC[C@@H](NC(C)=O)C2)nnc1[C@@]1(O)CCOC1 1340623294 CTFMQFOTTGQWCG-IUODEOHRSA-N 321.381 -0.213 30 20 DBED CCO[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@](F)(C#N)C2)[C@@H]1OC 1347233848 INDYDGSAROWWGY-MIJXAVMKSA-N 313.329 -0.241 30 20 DBED C[C@H]1CN(C(=O)Cn2cc(C#N)c(O)nc2=O)C[C@H](C2CC2)O1 1362603019 DEFHNXQSAIIWFM-JOYOIKCWSA-N 318.333 -0.154 30 20 DBED COc1cccnc1CNS(=O)(=O)N1CCO[C@H](C#N)C1 1363940118 OKHDXHBIEARSIS-SNVBAGLBSA-N 312.351 -0.351 30 20 DBED CCN(CCC#N)C(=O)CN1CCCC[C@@H]1CS(N)(=O)=O 1365322880 QZOGQEXELAYZSI-GFCCVEGCSA-N 316.427 -0.108 30 20 DBED C[C@H](C#N)C(=O)N(C)C[C@@H]1CCN(C(=O)C2(NC(N)=O)CC2)C1 1374472411 JMPIAONYNYNRQM-MNOVXSKESA-N 321.381 -0.346 30 20 DBED C[C@@H](CNC(=O)c1ccc(C#N)[nH]1)NC(=O)CN1CCCC1=O 1377430286 ANZTXMFJYXRNKZ-JTQLQIEISA-N 317.349 -0.257 30 20 DBED COC[C@H](O)CN1CC([C@H](C)NC(=O)c2cc(C#N)c[nH]2)C1 1378489021 FAGMFFYDCGGTMW-GXFFZTMASA-N 306.366 -0.056 30 20 DBED CC(C)S(=O)(=O)CC(=O)N(C)CCNC(=O)[C@@H](C)C#N 1387080270 ITYJGXQEQGQFCZ-JTQLQIEISA-N 303.384 -0.456 30 20 DBED CC(=O)NC1(C(=O)NC[C@@H](O)CNC(=O)[C@@H](C)C#N)CCCC1 1389091966 DFXHNQWGLPWIAR-JQWIXIFHSA-N 324.381 -0.812 30 20 DBED CCCNC(=O)CNCC1(O)CCN(C(=O)[C@@H](C)C#N)CC1 1393763382 IQORXGMWLWVBTM-LBPRGKRZSA-N 310.398 -0.385 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)CCN2CCOCC2)CC1 1400646368 BRJRJHHXXWTLIC-GFCCVEGCSA-N 308.382 -0.367 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)c2cnc3[nH]nnc3c2)CC1 1400654509 PHBHGHFHRUTDPP-MRVPVSSYSA-N 313.321 -0.109 30 20 DBED C=C(Cl)CN1CC(O)(CNC(=O)C(C)(C)S(C)(=O)=O)C1 1407430634 JUNUAQODKYYQKH-UHFFFAOYSA-N 324.830 -0.275 30 20 DBED Cc1[nH]c(C#N)cc1C(=O)NCCN1CCS(=O)(=O)CC1 1417633094 ZRDQURHNIMMVQO-UHFFFAOYSA-N 310.379 -0.345 30 20 DBED C[C@H](C#N)C(=O)N1CCC2(CC1)C[C@H]2NC(=O)CCNC(N)=O 1427832092 WXUPBWSJRKVGON-GHMZBOCLSA-N 321.381 -0.298 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CCCN1C(=O)c1ccc(C(N)=O)[nH]1 1429765053 HHGNHXHJODLLKW-VHSXEESVSA-N 317.349 -0.006 30 20 DBED COC(=O)C(C)(C)CNC(=O)CCn1cc(C#N)c(O)nc1=O 1433802453 BBGLKDUZFWUXID-UHFFFAOYSA-N 322.321 -0.474 30 20 DBED Cc1cc(OCC(=O)NC[C@H](O)CNC(=O)[C@@H](C)C#N)no1 1452371882 KGQHOFVXFQHDRF-WPRPVWTQSA-N 310.310 -0.885 30 20 DBED CC(C)CNC(=O)NC(=O)CN1CC(NC(=O)[C@@H](C)C#N)C1 1494359720 VUSXKXAOACCBJD-JTQLQIEISA-N 309.370 -0.572 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNCc1nc(C(C)(C)C)n[nH]1 1496955658 SBIZXVYOFWXOKK-NXEZZACHSA-N 308.386 -0.171 30 20 DBED COCCCNC(=O)[C@H](C#N)C(=O)CCN1C(=O)CCC1=O 1524677828 QCQLRLWTAIDOOO-SNVBAGLBSA-N 309.322 -0.613 30 20 DBED C[C@H](CCNC(=O)c1cnn(C)n1)NC(=O)c1cc(C#N)c[nH]1 1527657004 RQRNCUAHANNIFF-SECBINFHSA-N 315.337 -0.047 30 20 DBED Cc1cc(F)cc(C#N)c1S(=O)(=O)N[C@@H](CO)C(=O)O 1574136660 FWUCPZQAPVAJIL-VIFPVBQESA-N 302.283 -0.270 30 20 DBED C[C@@H](CN)CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1575985703 UUVGQYLONVDEFD-JBLDHEPKSA-N 300.384 -0.839 30 20 DBED C#CC[C@H](NC(=O)[C@H](C)N1C(=O)NC2(CCCC2)C1=O)C(=O)O 1588399639 WGZGBMBAGMOAFZ-UWVGGRQHSA-N 321.333 -0.168 30 20 DBED C#CCN(CC(=O)O)c1nnc(C2(CO)CCOCC2)n1C 1588426829 DGTCZRVRAVIVSW-UHFFFAOYSA-N 308.338 -0.620 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)CCCN=c1cc[nH]c(C(=O)O)n1 1588490745 XKVNIQYYRPECAH-NSHDSACASA-N 320.349 -0.105 30 20 DBED CC(C)(O)CNN=C1C(=O)Nc2cc(-c3nn[nH]n3)ccc21 1589338610 DQMRZSIZEDGBJY-UHFFFAOYSA-N 301.310 -0.117 30 20 DBED N#Cc1cc(C(=O)NCCNc2ccc(-c3nn[nH]n3)nn2)c[nH]1 1592687967 OJZWSIQLMBVLEG-UHFFFAOYSA-N 324.308 -0.302 30 20 DBED N#CC1(C[C@@H](O)CN2CCN(CC(=O)O)CC2)CCOCC1 1601054843 UCFLLSDSCPPSEE-CYBMUJFWSA-N 311.382 -0.240 30 20 DBED N#CC1(CS(=O)(=O)N2C[C@@H](O)C[C@H](C(=O)O)C2)CCC1 1601057630 DOFAGIJMJDNCII-UWVGGRQHSA-N 302.352 -0.223 30 20 DBED N#CCN(CCC(=O)O)C(=O)c1ccc(S(N)(=O)=O)s1 1601072397 SYJBRGGESDXAAQ-UHFFFAOYSA-N 317.348 -0.164 30 20 DBED C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCN1CC#N 1605428794 MQCLDPGQYCSPOB-SCZZXKLOSA-N 300.326 -0.089 30 20 DBED Cn1nnc2cc(S(=O)(=O)N(CC#N)CCC(=O)O)ccc21 1608168752 VIGVCNPNPAHSDG-UHFFFAOYSA-N 323.334 -0.043 30 20 DBED N#Cc1ccc(C(=O)NCC2(NC(=O)[C@H]3C[C@H]3C(=O)O)CC2)[nH]1 1608201065 VLGBPNOHITXDQP-VHSXEESVSA-N 316.317 -0.014 30 20 DBED N#Cc1ccccc1OC[C@@H](O)CN1CC[C@](O)(C(=O)O)C1 1608219108 JUETVRBMGJLYQV-SWLSCSKDSA-N 306.318 -0.181 30 20 DBED Cn1cc(CC(=O)NS(=O)(=O)c2cncc(C#N)c2)cn1 1649816693 DJWUPZYXSMCKTI-UHFFFAOYSA-N 305.319 -0.266 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 1690817902 WJRKLSNGQNNQGZ-LSDHHAIUSA-N 320.437 -0.247 30 20 DBED C#CCN1CCN(CCNC(=O)c2c[nH]c(C(N)=O)c2)CC1 1752375656 SSVKHIJIUBLSTN-UHFFFAOYSA-N 303.366 -0.906 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@H]1C[C@H](N[C@@H](C)C(=O)NC(N)=O)C1 1752628507 VPRWSSUXILIXJX-QSDJMHMYSA-N 312.370 -0.866 30 20 DBED C=C(C)CN(CC)C(=O)CN[C@H](C)CNC(=O)[C@@H]1CCNC1=O 1752892229 ZJYWWHNEEAPFSU-CHWSQXEVSA-N 324.425 -0.359 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 1752989040 WJRKLSNGQNNQGZ-CABCVRRESA-N 320.437 -0.247 30 20 DBED C#CCN1CC[C@H](CCNC(=O)CCCn2c(O)nnc2O)C1 1753331138 QVARDRZUHUFZOX-LBPRGKRZSA-N 321.381 -0.069 30 20 DBED CC[C@@H](CNC(=O)[C@H]1CCCC(=O)N1C)NCC(=O)NCC#N 1753493749 QAOODCUJNKUCGL-NWDGAFQWSA-N 323.397 -0.879 30 20 DBED CN(CCN(C)C(=O)C#CC1CC1)CCN(C)S(C)(=O)=O 1753852643 VPTLEFAHYWQFFL-UHFFFAOYSA-N 315.439 -0.319 30 20 DBED COc1cc(C(=O)NC/C=C/CNCC(=O)NCC#N)ncn1 1754121627 MDFGOSLNMDECPZ-NSCUHMNNSA-N 318.337 -0.999 30 20 DBED C#CCNC(=O)CN(C)C[C@@H](C)NC(=O)c1cc[n+]([O-])cc1 1754300212 QQLXVYXJUBTZSQ-GFCCVEGCSA-N 304.350 -0.881 30 20 DBED C#CCNC(=O)CN(C)C[C@@H](C)NC(=O)C12CCN(CC1)C2 1754331283 QNIXPVBLUNMARO-CYBMUJFWSA-N 306.410 -0.732 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1CC[C@H]1CNC(=O)C(F)F 1754469037 ROIKYXAFBRREQI-IUCAKERBSA-N 318.324 -0.158 30 20 DBED O=C(Cn1ncnn1)NC[C@H]1CCN1CC#Cc1ccccc1 1754481868 CSCYIHXJGJGIHF-OAHLLOKOSA-N 310.361 -0.085 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)CNC(=O)OC)[C@@H](C)C1 1754590039 JWDWSIPBFBMUCJ-RYUDHWBXSA-N 324.381 -0.939 30 20 DBED C=CCOCC(=O)N1CCC(O)(CNCc2cnnn2C)CC1 1755148422 UTYGVOWXDXVJCJ-UHFFFAOYSA-N 323.397 -0.539 30 20 DBED C=CCCC(=O)NC[C@H](CO)NC(=O)c1c(C)nn(C)c1OC 1756508562 XFBVKPBZSKPHEV-LLVKDONJSA-N 324.381 -0.090 30 20 DBED Cc1onc(CC(=O)N2CCO[C@@H](c3nn[nH]n3)C2)c1C#N 1771647226 VSUDPKDFDLOQLU-SNVBAGLBSA-N 303.282 -0.490 30 20 DBED C[C@H](S)C(=O)N1CCCC12CN(C(=O)[C@H](C)n1cnnn1)C2 1846371578 BEIXVAZSESOWFZ-UWVGGRQHSA-N 324.410 -0.244 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(=O)N(C)C 1847802693 IJESJUPQEGEGAK-AGIUHOORSA-N 321.377 -0.685 30 20 DBED CN(C)CCN1C[C@H](C(=O)N[C@]2(C#N)CCSC2)CC1=O 81024315 HBCOSGDNGBOUKV-RISCZKNCSA-N 310.423 -0.088 30 20 DBED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CC[C@H](CO)C2)CC1 91580871 YNCZWEZSEQKQRX-LSDHHAIUSA-N 308.426 -0.007 30 20 DBED N#Cc1nc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)ccc1Cl 131127876 YIBRNQPGYVGARL-MRVPVSSYSA-N 305.725 -0.246 30 20 DBED CN1CC[C@@H](O/N=C(\N)C2=C(N)C3(CCCC3)N(C)C2=O)C1=O 265376170 PVCYHIWWAWZXFC-SECBINFHSA-N 321.381 -0.497 30 20 DBED COC(=O)C[C@@H](NS(=O)(=O)CC1(C#N)CC1)C(=O)OC 274234729 UYRDCNAGZUOKAH-MRVPVSSYSA-N 304.324 -0.686 30 20 DBED Cc1cccc(S(=O)(=O)NC[C@@H]2CC(C(N)=O)=NO2)c1C#N 275882450 MDVYSUKGEBVUFP-VIFPVBQESA-N 322.346 -0.225 30 20 DBED CC1(C#N)CN(C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)C1 280552110 UKZWOVFKHYBCIY-UHFFFAOYSA-N 306.347 -0.144 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)CCN2C(=O)CCC2=O)C1=O 281242136 FQHYYSWRHUYMOH-NSHDSACASA-N 307.350 -0.229 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@H](OC)C[C@H]2C)C1=O 281688679 FTDUNLZTBOAAKI-GHMZBOCLSA-N 323.349 -0.011 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@H](C)CCOC)C1=O 286171554 BTXBVYPBKAAQED-VXGBXAGGSA-N 311.382 -0.227 30 20 DBED C#CCNC(=O)CCn1c(=O)c(F)cn([C@@H]2CCCO2)c1=O 296372398 VVUMWBVITZZPJY-LBPRGKRZSA-N 309.297 -0.402 30 20 DBED C#CCNC(=O)c1ccc(N(C)CC(=O)N2CCOCC2)nc1 298773953 YJDDCFJXRACPKN-UHFFFAOYSA-N 316.361 -0.260 30 20 DBED CN1CCN(c2cc(C/N=C(/N)N3CCOCC3)ccn2)CC1 303881404 HSBVPSAUIAUXAO-UHFFFAOYSA-N 318.425 -0.020 30 20 DBED C[C@H](C/N=C(/O)N[C@@H]1CC[S@@](=O)C1)CN1CCOCC1 330027667 NITMTFHAZOJDDV-FKANQGBASA-N 303.428 -0.021 30 20 DBED CN(/C(O)=N/C[C@@H]1COCCO1)[C@@H]1CCN(S(C)(=O)=O)C1 330179545 FKQFXQDBJNARSQ-GHMZBOCLSA-N 321.399 -0.719 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N(C)[C@H](C)CS(C)(=O)=O 332509219 WUQOETPZTHRKSF-VHSXEESVSA-N 311.429 -0.312 30 20 DBED C[C@@H]1[C@H](NS(=O)(=O)N2CCO[C@H](C#N)C2)CCCN1C 336896523 NTEHYHYOYKPGPC-IJLUTSLNSA-N 302.400 -0.472 30 20 DBED C=CCN1CC[C@@H](N(C)CC(=O)N[C@@H](C)C(=O)N(C)C)C1=O 337228761 RHAYGFZACFGSHJ-NWDGAFQWSA-N 310.398 -0.702 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCCN(C)[C@@H]2C)C1=O 343459066 WIPDJTUWHWKBFU-GHMZBOCLSA-N 322.365 -0.438 30 20 DBED N#Cc1ccc(C[C@@H](C#N)C(=O)NCCC(=O)NC(N)=O)cc1 350114063 JELQIQSZWODFBW-LBPRGKRZSA-N 313.317 -0.058 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)CCc2cnc[nH]2)CC1 353820230 AMYQHSXXFZHLFQ-UHFFFAOYSA-N 305.382 -0.211 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)CCc2ncccn2)CC1 362184244 IICBKDBSXUPGNP-UHFFFAOYSA-N 317.393 -0.144 30 20 DBED N#Cc1cccc(CCNC(=O)N2CCO[C@@H](C(N)=O)C2)c1 374194276 PIZBXZAUANGPEZ-CYBMUJFWSA-N 302.334 -0.004 30 20 DBED C#CCN1CCN(C(=O)Cn2c(C)ccc([N+](=O)[O-])c2=O)CC1 490742004 XVXKEAYJSJANJW-UHFFFAOYSA-N 318.333 -0.158 30 20 DBED C#CCNC(=O)CCNCc1ccc(S(=O)(=O)CCO)cc1 491383168 LAGQYNHNNKJTEX-UHFFFAOYSA-N 324.402 -0.318 30 20 DBED C#CCNC(=O)CN1CCN(CC(=O)NCC(F)(F)F)CC1 491647597 YLJCLXJPKKFYLW-UHFFFAOYSA-N 320.315 -0.968 30 20 DBED Cn1cc(C#N)c(NC(=O)NC(C)(C)CN2CCOCC2)n1 591338183 UBUCSCOJRSSJEA-UHFFFAOYSA-N 306.370 0.524 30 20 DBED Cc1cc(NC(=O)C(=O)N2CC[C@H](CC(N)=O)C2)ncc1C#N 594302678 UQBKVEBQPCJULG-SNVBAGLBSA-N 315.333 -0.076 30 20 DBED CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N[C@@H]1CC[C@H](C#N)C1 595642574 GUYFINYLWWNHNR-ZRUFSTJUSA-N 301.368 -0.210 30 20 DBED N#CCNC(=O)CNC(=O)[C@@H]1CCCC[C@@H]1N1CCCC1=O 597652205 WMJVHRNELLNJEQ-NEPJUHHUSA-N 306.366 -0.076 30 20 DBED CC[C@]1(O)CCCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)C1 601506288 DZLSGRHVUZMJDA-RYUDHWBXSA-N 303.384 -0.308 30 20 DBED CCNC(=O)CN(C)CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 611371135 WDOICJMLUTWLLR-CQSZACIVSA-N 323.441 -0.253 30 20 DBED C#Cc1ccc(C(=O)NCCC(=O)N2CCN(C)CC2)cn1 728982508 CZUSOIIARYDSAZ-UHFFFAOYSA-N 300.362 -0.043 30 20 DBED N#Cc1cnn(-c2ccc(C(=O)NCCNC(N)=O)cc2)c1N 735811924 AQORDUWBPNJXAD-UHFFFAOYSA-N 313.321 -0.276 30 20 DBED Cn1cc(C=NNc2ccc(C(=O)O)cn2)c(=O)n(C)c1=O 763372399 XLZVWKWHHWMONH-UHFFFAOYSA-N 303.278 -0.377 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)c1cc(C)ccc1S(N)(=O)=O 767707045 IYRGSEWDAFQOFG-JTQLQIEISA-N 324.358 -0.063 30 20 DBED CN(C)c1c(C=NNCC(F)(F)F)c(=O)n(C)c(=O)n1C 807985445 HQQAOSTZBSQUMT-UHFFFAOYSA-N 307.276 -0.364 30 20 DBED C#CCCS(=O)(=O)N1CCC[C@@H]1C[C@@]1(C)NC(=O)NC1=O 808312594 YEQZCFVARNVEJL-ZWNOBZJWSA-N 313.379 -0.208 30 20 DBED C#CC[C@@H](CO)NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 816670603 ABBXKWCUURUZCI-AWEZNQCLSA-N 320.370 -0.027 30 20 DBED O=C(N[C@H]1CCCN(O)C1=O)c1cn(-c2cccnc2)nn1 848132652 TXWHHZJARFKBLK-JTQLQIEISA-N 302.294 -0.228 30 20 DBED C#CCOCCN1CCN([C@H](C)C(=O)NCCCOC)CC1 851750814 FWLCXAWGBMALQV-OAHLLOKOSA-N 311.426 -0.205 30 20 DBED C#C[C@@](C)(CC)N[C@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O 852100298 GTJGVLAGXNHBCB-PSLIRLAXSA-N 306.366 -0.371 30 20 DBED C#CCCN(CCOC)C(=O)NCCNS(=O)(=O)CC 853378588 HPQKHUPTIHDPKD-UHFFFAOYSA-N 305.400 -0.393 30 20 DBED C#CCCN(CCOC)C(=O)Cn1nc2n(c1=O)CCCC2 856391188 NCEXDIGQROTTMY-UHFFFAOYSA-N 306.366 -0.121 30 20 DBED CCN(CCC#N)S(=O)(=O)N[C@H](C)[C@@H]1CN(C)CCN1C 919991240 UWQQZDRVKUODMT-OLZOCXBDSA-N 317.459 -0.309 30 20 DBED C[C@H](C#N)C(=O)N1CCCN(C(=O)[C@]2(C)CNC(=O)C2)CC1 941651443 SCLGGKBIUDMGCJ-ABAIWWIYSA-N 306.366 -0.267 30 20 DBED Cc1cn(C)nc1C(=O)NC[C@@H]1CN(C(=O)[C@H](C)C#N)CCO1 944588941 MBLOPHSOTXPKEM-ZYHUDNBSSA-N 319.365 -0.155 30 20 DBED C[C@H]1CN(C(=O)C(N)=O)CC[C@@H]1NC(=O)c1ccc(C#N)[nH]1 945484225 MTVRTZCCZDTFQM-WPRPVWTQSA-N 303.322 -0.662 30 20 DBED CC(C)(C(N)=O)C(=O)N1CC[C@H]1CNC(=O)c1c[nH]c(C#N)c1 949499221 YHGNMYBAXDLCDR-NSHDSACASA-N 317.349 -0.271 30 20 DBED CN1C[C@H](C(=O)NC[C@H]2CCN2C(=O)C#CC2CC2)CC1=O 950405373 YETWWWFHEWHWKH-CHWSQXEVSA-N 303.362 -0.405 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@]2(CCN(C(=O)Cc3nc[nH]n3)C2)C1 953210313 IWTQNLMQPBYLMG-ABAIWWIYSA-N 316.365 -0.042 30 20 DBED C=CC(C)(C)C(=O)N1CC(N(C)C(=O)[C@@H]2CN(C)C(=O)N2)C1 954963528 RBYVDXZXHDAFNV-NSHDSACASA-N 308.382 -0.109 30 20 DBED C#CCCN1C[C@@H](O)[C@@H](CNC(=O)c2ccn3nnnc3c2)C1 958322146 YXSDNFOXLUTPAC-QWHCGFSZSA-N 314.349 -0.830 30 20 DBED C=CCCN1C[C@@H](O)[C@@H](CNC(=O)c2nccnc2C(N)=O)C1 958653548 MHAWARORSWGEBQ-WDEREUQCSA-N 319.365 -0.826 30 20 DBED C=CCN1CC[C@@H](N2C[C@H]3[C@H](NC(=O)c4nc[nH]n4)[C@H]3C2)C1=O 962085255 OPEVKOLMIWXHLM-KXNHARMFSA-N 316.365 -0.748 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CN(C(=O)[C@]3(C)CCC(=O)N3)C[C@H]2C1 962261152 SLXIMDQOOBPNGJ-OVZMXSCWSA-N 318.377 -0.268 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H](CN(C)C(=O)c2nnn(C)n2)C1 967406552 CZAMDSGUOGNGLE-WDEREUQCSA-N 319.369 -0.320 30 20 DBED C#CCCN1CC[C@@H](C)[C@H](NC(=O)CN2C(=O)CCC2=O)C1 968631658 INBULUFZRKNTCJ-CHWSQXEVSA-N 305.378 -0.015 30 20 DBED O=C1NCC[C@H]1C(=O)N1[C@H]2CC[C@H]1CN(C(=O)C#CC1CC1)C2 969536456 YOFRVZTZZVJTLB-MELADBBJSA-N 315.373 -0.262 30 20 DBED C=CCn1cc(C(=O)N2CC[C@@H](NCc3nncn3C)C2)nn1 970206243 RJZPBOXOQWARBC-LLVKDONJSA-N 316.369 -0.403 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)c3ccc(=O)n(C)c3)C2)C1 972448724 CLXDEIKQAJUSAY-QGZVFWFLSA-N 315.373 -0.065 30 20 DBED C=C(C)CN1C[C@H]2C(CNC(=O)c3nnc(O)nc3O)[C@@H]2C1 978414450 PKNKDYFZDITBBF-UWVGGRQHSA-N 305.338 -0.234 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)Cn3cncn3)C[C@H]2C1 986601854 VDKOAMBPNDUXAW-UPJWGTAASA-N 316.365 -0.255 30 20 DBED O=C(N[C@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1O)c1ccon1 991307576 QKJZRQPKMXDQJX-AAEUAGOBSA-N 303.318 -0.220 30 20 DBED C=CCCn1cc(C(=O)NC2CN(C(=O)[C@@H]3CCOC3)C2)nn1 991979157 DWTOUGLPNIYNCK-LLVKDONJSA-N 319.365 -0.169 30 20 DBED Cc1nn(CC(=O)N[C@@]23CCC[C@@H]2N(CC#N)CC3)c(=O)n1C 992446514 COIOEJOWZYEXOR-SWLSCSKDSA-N 318.381 -0.473 30 20 DBED C#CCNC1CCN(C(=O)c2ccc(S(N)(=O)=O)o2)CC1 996769796 JTEULNXBTTTXMJ-UHFFFAOYSA-N 311.363 -0.246 30 20 DBED N#CCN[C@H]1CN(C(=O)Cn2ncnn2)CC[C@@H]1C(F)(F)F 998259743 KOIPLXCAVOWTAX-IUCAKERBSA-N 317.275 -0.434 30 20 DBED C#CCNC1CC(N(C)C(=O)[C@@H]2CCc3nnc(O)n3C2)C1 999010622 KXGHPRPOMJNKTN-VOMCLLRMSA-N 303.366 -0.242 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)Cn2cncn2)C1 1008398814 CPHYNZWDLMMWNK-XUJVJEKNSA-N 316.365 -0.065 30 20 DBED Cn1cnc(C(=O)NC[C@H]2[C@@H]3CN(C(=O)C#CC4CC4)C[C@H]23)n1 1009021063 LPWKKHIEPZSLNQ-XYYAHUGASA-N 313.361 -0.337 30 20 DBED C=CCn1cccc1C(=O)N1C[C@@H](NC(=O)C(N)=O)C[C@H]1C 1012920640 BLFKGLYAVHQJIH-MNOVXSKESA-N 304.350 -0.121 30 20 DBED C=CCn1cc(C(=O)N2CCC[C@H](NC(=O)C(N)=O)[C@H]2C)nn1 1015194421 ONPSKLWSWOXNQZ-ZJUUUORDSA-N 320.353 -0.941 30 20 DBED C#CCN1CCC2(CC1)C[C@H]2NC(=O)CN1CCC(=O)NC1=O 1016919620 NNXKDITUUUYQFM-GFCCVEGCSA-N 318.377 -0.468 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NCc2cnn(C)n2)C1 1022220720 LOMRTWUXHQWBJG-GUTXKFCHSA-N 316.409 -0.351 30 20 DBED C=CCN[C@H]1C[C@@H](NC(=O)Cn2nc3n(c2=O)CCCC3)C1 1022942013 ATQKYIDMDWKPJV-TXEJJXNPSA-N 305.382 -0.196 30 20 DBED C#CCN1CCC[C@@H](CNC(=O)[C@H]2CN(C(C)=O)CCO2)C1 1023729211 JNUTTYNQXACABJ-LSDHHAIUSA-N 307.394 -0.305 30 20 DBED O=C(C[C@@H]1CCCOC1)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1023819938 HNLQZAIZFUNJJA-RRFJBIMHSA-N 320.389 -0.096 30 20 DBED C=CCN[C@@H]1CC[C@H]2CN(C(=O)Cn3nc(C)n(C)c3=O)C[C@H]21 1026409773 NYDXPQQIQHJYBG-BFHYXJOUSA-N 319.409 -0.097 30 20 DBED C=CCN1CC[C@@H](N2C[C@@H]3C[C@H]2CN3C(=O)c2cnon2)C1=O 1032691620 GWMABWCEXSEFDW-GMXVVIOVSA-N 317.349 -0.245 30 20 DBED C=C(Cl)CN1C[C@@H]2C[C@H]1CN2C(=O)CN1C(=O)CNC1=O 1032771706 YKRZBZOAEUBMCW-UWVGGRQHSA-N 312.757 -0.424 30 20 DBED C=CCCn1cc(C(=O)N(C)[C@@H]2CCN([C@H](C)C(N)=O)C2)nn1 1033484262 PYVIYQRGSCKVHP-VXGBXAGGSA-N 320.397 -0.126 30 20 DBED Cn1nnc2cc(C(=O)NC[C@H]3CN(CC#N)CCO3)ccc21 1035414600 BILUEPCULORVQM-LBPRGKRZSA-N 314.349 -0.078 30 20 DBED C=CCN1CCO[C@H](CNC(=O)[C@@H]2CCc3nnnn3CC2)C1 1035513747 WQTOISOASUDLHL-CHWSQXEVSA-N 320.397 -0.371 30 20 DBED C#CCCN1CCO[C@H](CNC(=O)[C@H]2CCCC(=O)N2C)C1 1035596164 OYWWWIHHKDWPEM-ZIAGYGMSSA-N 307.394 -0.162 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(CC1)CN(Cc1nc(=O)n(C)[nH]1)C2 1035672133 GLXVECWMIJOIRI-NSHDSACASA-N 318.381 -0.308 30 20 DBED CC#CCN1CC2(CCN(C(=O)C[C@@H]3NC(=O)NC3=O)CC2)C1 1035724930 VJQNBXGXIXGYLO-LBPRGKRZSA-N 318.377 -0.468 30 20 DBED CS(=O)(=O)CCN1CC[C@H]1CNC(=O)c1cc(C#N)c[nH]1 1038155496 XOOIJVASRHWFKA-NSHDSACASA-N 310.379 -0.265 30 20 DBED O=C(C#CC1CC1)NC[C@@]1(O)CCN(C(=O)c2cnco2)C1 1039688684 NUQKOBVDUARFDB-HNNXBMFYSA-N 303.318 -0.219 30 20 DBED Cc1c[nH]c(C(=O)NC[C@@]2(O)CCN(C(=O)C#CC3CC3)C2)n1 1039832989 VEFWKWPXABJYFY-INIZCTEOSA-N 316.361 -0.175 30 20 DBED C[C@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)c2ccncc2)C1 1040759678 CHSQFPKWEGNVJT-IAQYHMDHSA-N 302.334 -0.066 30 20 DBED Cc1[nH]nc(C(=O)N2CC[C@@](O)(CNC(=O)[C@@H](C)C#N)C2)c1C 1040763667 QTAZTWOPGLUUOS-BJOHPYRUSA-N 319.365 -0.121 30 20 DBED N#Cc1nccnc1N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCOC2)C1 1040943541 CHWIHVWEPPFNAN-RAIGVLPGSA-N 317.349 -0.559 30 20 DBED C=CCCCC(=O)N1CC(O)(CNC(=O)[C@H]2C[C@H]2C(=O)OC)C1 1041984504 MZGPMWLBQJETOE-NWDGAFQWSA-N 324.377 -0.159 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(O)(CNC(=O)Cc2ccoc2)C1 1042731812 FRLJWRCTESOQCV-OAHLLOKOSA-N 322.361 -0.161 30 20 DBED O=C(C#CC1CC1)NCC1(O)CN(C(=O)c2ncccc2F)C1 1042960986 QYMGXQZTWBOHMM-UHFFFAOYSA-N 317.320 -0.063 30 20 DBED O=C(C#CC1CC1)NCC1(O)CN(C(=O)c2ccc(O)nc2)C1 1042963662 RAYGKLGRVDRKCY-UHFFFAOYSA-N 315.329 -0.496 30 20 DBED C[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1Nc1cncc(C#N)n1 1043338938 TZNYNJZOPXIRMI-MWLCHTKSSA-N 313.325 -0.706 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)C[C@H]2CCNC2=O)C1 1043362885 NRCHXLRJUWGILS-GFCCVEGCSA-N 321.377 -0.994 30 20 DBED C[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1N=c1cc[nH]c(C#N)n1 1043471517 BKOPYRGAXHQOBC-NXEZZACHSA-N 314.349 -0.706 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)[C@]2(C)CCC(=O)N2)C1 1044470659 ROJOLHGRSHSPSX-HNNXBMFYSA-N 323.393 -0.443 30 20 DBED O=C(Cc1cnoc1)NCC1(O)CN(C(=O)C#CC2CC2)C1 1045110239 JXFBNEPTYGLTOS-UHFFFAOYSA-N 303.318 -0.680 30 20 DBED C=CCCCC(=O)NCC1(O)CN(C(=O)Cc2ncc[nH]2)C1 1045455378 RMFZPKQKDFDYNI-UHFFFAOYSA-N 306.366 -0.002 30 20 DBED C#CCN1CC[C@H](N2CCN(C(=O)Cn3nccn3)CC2)C1 1046034520 SYOYTRVVSIUYGS-AWEZNQCLSA-N 302.382 -0.870 30 20 DBED C=CCn1cc(C(=O)N[C@@]2(C)CCN([C@@H](CC)C(N)=O)C2)nn1 1046680755 HSMVWDXBYNOEDZ-WFASDCNBSA-N 320.397 -0.078 30 20 DBED C=CCN1C[C@H]2C[C@H](NC(=O)CN3C(=O)CNC3=O)C[C@H]1C2 1047197759 KOBYHYWLGJBYDP-SDDRHHMPSA-N 306.366 -0.307 30 20 DBED C=CCCC(=O)N(C)[C@H]1CN(C(=O)[C@H]2CN(C)C(=O)N2)C[C@@H]1O 1048539365 FLTCIGGLXLNTEC-WOPDTQHZSA-N 324.381 -0.994 30 20 DBED C=CCN1C[C@H]2CN(C(=O)CN3CCN(C)C(=O)C3)C[C@H]2C1 1048907959 PFICEPGVMGNEIN-OKILXGFUSA-N 306.410 -0.663 30 20 DBED Cc1cc(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)C#N)C2)nn1C 1049389008 QTWLXIAOUNIQMR-XDTLVQLUSA-N 319.365 -0.468 30 20 DBED C#CCCN1CCOC[C@H]1CNC(=O)c1ccc(C(N)=O)cn1 1051267299 ZLEWQPKQXKZJNX-CYBMUJFWSA-N 316.361 -0.366 30 20 DBED N#Cc1ccc(N2CC[C@H](NC(=O)c3cnn[nH]3)[C@@H](O)C2)nc1 1051808322 ZRWICLCGLJAQRB-JQWIXIFHSA-N 313.321 -0.559 30 20 DBED C[C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1CNC(=O)C#CC1CC1 1051936741 XWKLNOVIZDQDLD-ZYHUDNBSSA-N 306.366 -0.721 30 20 DBED CNC(=O)CN1CCN([C@H]2CCN(C(=O)C#CC3CC3)C2)CC1 1052027029 WOZWMLBZHJOKCX-HNNXBMFYSA-N 318.421 -0.636 30 20 DBED N#CCN1CCC[C@@H](NC(=O)Cn2ccc(O)nc2=O)CC1 1052534196 FHOFWYXRBDFKMJ-LLVKDONJSA-N 305.338 -0.557 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)c1c[nH]c(=O)cn1)CCO2 1053397897 NXUXFYPJCFNKJN-UHFFFAOYSA-N 302.334 -0.680 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)c3c(C)nnn3CC)CO2)C1 1053828770 ZTRJQTJDDMEMFZ-GFCCVEGCSA-N 303.366 -0.187 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)c3cncc(OC)n3)CO2)C1 1053946161 OWXCYOZOCBQVGV-LLVKDONJSA-N 302.334 -0.309 30 20 DBED C=CCN1CC2(C[C@@H](NC(=O)[C@@H]3CN(CC)CCO3)CO2)C1 1054013930 DPNWQGBGBCNBNJ-KGLIPLIRSA-N 309.410 -0.147 30 20 DBED C=CCN[C@@H]1CN(C(=O)CCc2nnc(O)nc2O)C[C@H]1C 1054847172 CXHAGJZWLSWRFC-MWLCHTKSSA-N 307.354 -0.162 30 20 DBED N#Cc1nccc(N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)Cn2nccn2)n1 1055114491 HFCJWFGHHRWLAE-WOPDTQHZSA-N 324.348 -0.134 30 20 DBED C=CCCOCC(=O)N1C[C@@H]2CN(C(=O)CC(N)=O)C[C@@H]2C1 1055263988 ADAQWBLEMQHWGC-TXEJJXNPSA-N 309.366 -0.629 30 20 DBED C#Cc1cncc(C(=O)NCCN(CCO)C(=O)[C@@H](C)OC)c1 1057110381 BEYYHCKQRVVAJX-GFCCVEGCSA-N 319.361 -0.352 30 20 DBED COC[C@@H](C)C(=O)N(CCO)CCNC(=O)c1ccc(C#N)[nH]1 1057189465 UARBUJOTNAVGRK-LLVKDONJSA-N 322.365 -0.280 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)CC[C@@H]1CCCN1C 1057966780 RNAQWENXTOMDCQ-KGLIPLIRSA-N 324.425 -0.042 30 20 DBED C[C@@H]1OCCO[C@@H]1C(=O)N[C@H]1CCN(c2ccnc(C#N)n2)C1 1058590537 GVIMOQBHYFWRNV-MJVIPROJSA-N 317.349 -0.153 30 20 DBED C#CCO[C@H](C)C(=O)NCCN(CCO)C(=O)c1nocc1C 1058822659 ZHWQERUWKXYJRK-GFCCVEGCSA-N 323.349 -0.428 30 20 DBED N#Cc1nccnc1N[C@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1 1059048986 AMLHKXNUAHUGFP-VIFPVBQESA-N 311.305 -0.242 30 20 DBED CC(=O)NCC(=O)NCC[C@H]1CCN(C(=O)C#CC2CC2)C1 1059621133 PTXZMXHOOBHSJE-AWEZNQCLSA-N 305.378 -0.109 30 20 DBED N#Cc1nc(=NC[C@@H]2CCN(C(=O)Cn3cccn3)C2)cc[nH]1 1060806898 GZNDBZDWSNTPIK-LBPRGKRZSA-N 311.349 -0.073 30 20 DBED N#Cc1ccc(NC[C@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)C2)cn1 1060972488 LQGUXCXHAKSZTM-MFKMUULPSA-N 314.349 -0.105 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1COCCN1C(=O)[C@H]1COC(=O)N1 1061565872 ANRCGDGULUGTGN-VXGBXAGGSA-N 323.349 -0.902 30 20 DBED C=CCOCC(=O)N1CCOC[C@@H]1CNC(=O)c1c[nH]nc1C 1061745937 JIIOJURSTGLRSQ-LBPRGKRZSA-N 322.365 -0.122 30 20 DBED CN(C(=O)[C@@H]1CNC(=O)N1)[C@H]1CCN(c2cncc(C#N)n2)C1 1063025184 RTIGKQKJMHBYOA-QWRGUYRKSA-N 315.337 -0.933 30 20 DBED C=CCn1cc(C(=O)NCC2(NC(=O)CC(N)=O)CCC2)nn1 1063092892 YRKMMAKCYPGAFR-UHFFFAOYSA-N 320.353 -0.892 30 20 DBED CN(CCC1CCN(C(=O)C(N)=O)CC1)c1ccnc(C#N)n1 1063972404 ZLYXVNBWLMRWQM-UHFFFAOYSA-N 316.365 -0.102 30 20 DBED Cc1nn[nH]c1C(=O)N[C@@H]1[C@H]2C[C@H]1N(c1cnc(C#N)cn1)C2 1064325295 WTBHTBFQWBJVOI-IYYTYJHQSA-N 310.321 -0.218 30 20 DBED C[C@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1Nc1ccc(C#N)nn1 1067042242 MUHKBOJJSWCPIF-ONGXEEELSA-N 313.325 -0.706 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@@H](CNC(=O)c3cccnn3)C2)nc1 1067679127 ZVAFJANEFKAWCM-GXTWGEPZSA-N 324.344 -0.030 30 20 DBED N#Cc1cnc(N2C[C@H]3CC[C@H]2CN3C(=O)CC(N)=O)cn1 1068033913 XJMJVXVKGLIBIL-WDEREUQCSA-N 300.322 -0.597 30 20 DBED C=CCOCC(=O)N1CCOC2(C1)CN(C(=O)c1ncc[nH]1)C2 1068355541 QKIAGDWHIJBKQJ-UHFFFAOYSA-N 320.349 -0.334 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H]1C[C@H](NC(=O)[C@H]2CCNC2=O)C1 1068561192 GFFKGYOJDUCLDS-DRZSPHRISA-N 313.361 -0.182 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1COC2(C1)CN(C(=O)Cc1ncc[nH]1)C2 1069003345 LVLLIFJYARGFJV-GHMZBOCLSA-N 317.349 -0.402 30 20 DBED N#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1070003065 JKGHGHWHODUNFK-FHUSYTEZSA-N 302.338 -0.964 30 20 DBED C=CCCN1C[C@H]2C[C@H]3CN(C(=O)[C@@H]4COC(=O)N4)C[C@@]3(C1)O2 1070793263 DCDYNPLVQUQDPK-RSUWNVLCSA-N 321.377 -0.027 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CCCN(C(=O)c2nc[nH]n2)C1 1071093847 FVBWXZHYWJFBDA-GHMZBOCLSA-N 305.338 -0.436 30 20 DBED C#CCN1CC[C@@]2(C1)CN(C(=O)CCn1cncn1)C[C@@H](C)O2 1071137269 YOGXWZZOYZKQKM-GDBMZVCRSA-N 317.393 -0.007 30 20 DBED C=CCOCC(=O)N1C[C@@H](NC(=O)CCc2nc[nH]n2)[C@H](C)C1 1071809766 YLFIURUBBKSHJG-VXGBXAGGSA-N 321.381 -0.097 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)Cn2cnnc2O)C[C@@H]1C 1071941723 CZZFOBRQEKKEGA-WDEREUQCSA-N 323.353 -0.851 30 20 DBED C[C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1NC(=O)CSCC#N 1072007867 XVKPJKVXALJDDW-NXEZZACHSA-N 322.394 -0.351 30 20 DBED C=CCOCC(=O)NCC[C@H](C)NC(=O)c1cc(=O)n(C)cn1 1075922440 RSJJFGYNCWGLQW-NSHDSACASA-N 322.365 -0.393 30 20 DBED C#CCN1C[C@@H]2CCN(C(=O)c3ccc(-n4cnnn4)cn3)[C@@H]2C1 1076084661 DDJOYCXULORFTP-SWLSCSKDSA-N 323.360 -0.163 30 20 DBED CNC(=O)CC(=O)NCC[C@H](C)NC(=O)c1ccc(C#N)[nH]1 1076254688 REKACOQFSIUWDA-VIFPVBQESA-N 305.338 -0.353 30 20 DBED C[C@@H](CCNC(=O)C#CC(C)(C)C)NC(=O)[C@H]1CNC(=O)N1 1076434236 LOEHWUQWKZPNCG-WDEREUQCSA-N 308.382 -0.272 30 20 DBED C#CCO[C@@H](C)C(=O)NCC[C@H](C)NC(=O)CCc1nc[nH]n1 1076510589 PNMBMGTWIZBIDX-RYUDHWBXSA-N 321.381 -0.213 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)Cc2cc(=O)n(CC(C)C)[nH]2)C1 1077320678 OQGLESFGDMNULP-ZIAGYGMSSA-N 322.409 -0.278 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCCS2(=O)=O)C1 1077451364 HKCJDDHVDIRXCG-JHJVBQTASA-N 314.407 -0.862 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3nnn(C)c3C2)C1 1077576177 CWXYHFUSYLBHLS-NJZAAPMLSA-N 319.409 -0.343 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H](C)CCNC(=O)c1nnn(C)n1 1077877533 RMBDKMOQAAIPIU-TVQRCGJNSA-N 310.358 -0.838 30 20 DBED C#CCNC(=O)CC(=O)N1CC(N(CC)C(=O)[C@@H]2C[C@@H]2C)C1 1079243461 BRVHUJOMNVNTCE-WCQYABFASA-N 305.378 -0.159 30 20 DBED C#CCOCCC(=O)N1CC(N(CC)C(=O)CC(=O)NC)C1 1079661685 PIIZNSSWBUECBP-UHFFFAOYSA-N 309.366 -0.778 30 20 DBED C#CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)CCNC(N)=O)C1 1079777153 URBYXMVWQJKFOQ-LLVKDONJSA-N 324.381 -0.858 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@H]2CCc3nnc(O)n3C2)[C@H](C)C1 1079985089 XVWZCYAPPIPNET-GRYCIOLGSA-N 303.366 -0.384 30 20 DBED CCN(C(=O)C[C@@H]1CCC(=O)N1)C1CN(C(=O)[C@H](C)C#N)C1 1080079573 SGKYLGGOCZCRPY-MNOVXSKESA-N 306.366 -0.126 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(N(CC)C(=O)c2cnon2)C1 1080334331 YOSAPPZBHFYLRX-SNVBAGLBSA-N 306.322 -0.219 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC(CO)(NC(=O)C(F)F)CC1 1080658957 OHEOHNAKELRBEW-SNVBAGLBSA-N 318.320 -0.241 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)C2(C(=O)NC)CC2)C[C@H]1O 1081335394 KSSXGLPLDCTILY-VXGBXAGGSA-N 323.393 -0.586 30 20 DBED CC#CCCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)CC(=O)NC)C1 1081434631 YLTARVYUZUHDRO-CHWSQXEVSA-N 323.393 -0.748 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cnnn2C)C1 1081443830 DFDSHECPAWHUMZ-YPMHNXCESA-N 319.365 -0.976 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@@H]1O 1081464329 YDMJJTDSXYXPNG-YPMHNXCESA-N 319.365 -0.976 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1cn([C@H]2CCOC2)nn1 1082310203 GUXCMCPRAMPYLP-DMDPSCGWSA-N 320.353 -0.808 30 20 DBED C#CCN1C[C@@H](NC(=O)Cc2c(C)nc(C)nc2O)[C@H](OC)C1 1082367343 ZYCXRZDAKFGQPD-ZIAGYGMSSA-N 318.377 -0.210 30 20 DBED CCc1cnc(CC(=O)N2CCO[C@@H]3CN(CC#N)C[C@@H]32)[nH]1 1083110292 VSUPUUDSEHRLHP-QWHCGFSZSA-N 303.366 -0.050 30 20 DBED C=CCN1CC[C@@H](N2C[C@H](O)[C@H](NC(=O)C(F)F)C2)C1=O 1083299058 FRDVAWQYPDNQGO-BBBLOLIVSA-N 303.309 -0.800 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2ccnn2C2CCOCC2)C1 1083848006 HDEIJFBYNOJPJG-OCCSQVGLSA-N 319.365 -0.467 30 20 DBED C=CCn1cc(C(=O)N(C)C[C@@H]2CCN2[C@@H](C)C(=O)NC)nn1 1085861254 UJVOUQZPZZIDEE-RYUDHWBXSA-N 320.397 -0.255 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](N[C@@H](C)C(N)=O)C1 1086110096 SXPNNHAWVHKCGH-FQUUOJAGSA-N 306.410 -0.558 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2ccnn2CC(F)F)[C@@H](O)C1 1090264836 IEQNHYCDVMUTBA-PWSUYJOCSA-N 312.320 -0.054 30 20 DBED CCCCOCC(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1O 1090387307 JGQNRQCTIAGLBI-CHWSQXEVSA-N 319.365 -0.169 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2cnn3cccnc23)[C@@H](O)C1 1090478262 FCFJJPQLWVQLFO-KBPBESRZSA-N 313.361 -0.082 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2cn(C)nc2OC)[C@@H](O)C1 1090487523 WDHIYXAMOKWWSC-OLZOCXBDSA-N 306.366 -0.383 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2c[nH]c(C)cc2=O)[C@@H](O)C1 1090697526 HBKVBCREEULDDX-HIFRSBDPSA-N 303.362 -0.128 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2ccc(C(N)=O)cc2)[C@H](O)C1 1090803146 XSSNHGOXYNAMSD-CHWSQXEVSA-N 302.334 -0.526 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2noc3c2COCC3)[C@@H](O)C1 1090822677 DSPCMSLZNNQMJU-MNOVXSKESA-N 306.322 -0.564 30 20 DBED COCc1nc(C)cc(N2C[C@H](O)[C@H](NC(=O)[C@H](C)C#N)C2)n1 1091082858 LGCUAOOWMDPMPB-JLLWLGSASA-N 319.365 -0.243 30 20 DBED C#CCNC1CC(CNC(=O)c2coc(S(N)(=O)=O)c2)C1 1091105901 YVTNUUNXXIKCAJ-UHFFFAOYSA-N 311.363 -0.342 30 20 DBED N#Cc1cnc(N[C@H]2C[C@H](CNC(=O)CNC(N)=O)C2)cn1 1091422354 BJDNGJUNDSOYNM-KYZUINATSA-N 303.326 -0.677 30 20 DBED CS(=O)(=O)CC(=O)NC[C@H]1C[C@H](Nc2cncc(C#N)n2)C1 1091429691 ZGAPUJDRWRNCDZ-MGCOHNPYSA-N 323.378 -0.300 30 20 DBED CC(C)(O)CC(=O)N[C@@H]1CCN(c2ccnc(C#N)n2)C[C@@H]1O 1092146795 WBYUIDAKTBUGIK-MNOVXSKESA-N 319.365 -0.435 30 20 DBED Cn1cc(C(=O)NCCN=c2cc[nH]cc2C#N)n(C)c1=O 1093683816 JOBFXOBELIMTAY-UHFFFAOYSA-N 300.322 -0.746 30 20 DBED Cc1nn(C)cc1C(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1 1094713703 FXTYBFHSJDWTEX-LLVKDONJSA-N 316.365 -0.733 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)c3ccnn3C)CC2=O)C1 1094714665 ZLTNBUBOSKQIIY-LLVKDONJSA-N 303.366 -0.379 30 20 DBED N#CCN1CC(N2C[C@H](NC(=O)c3cccc(O)n3)CC2=O)C1 1094725156 ZZVLVAJYIFEATK-SNVBAGLBSA-N 315.333 -0.674 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)c3cnc(O)n3C)CC2=O)C1 1094770591 FAMAZXKMOMJTHJ-SNVBAGLBSA-N 319.365 -0.673 30 20 DBED C[C@H](C(=O)NCCCN=c1cc[nH]c(C#N)n1)[C@@H]1CCC(=O)N1 1094796228 CBCPNYSBCFYMJU-QWRGUYRKSA-N 316.365 -0.397 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](N(C)c2cc(C)ncn2)C1 1095111710 ZKWQHLGPOGSJMZ-ZDUSSCGKSA-N 315.377 -0.038 30 20 DBED N#Cc1ccc(N2CCC(NC(=O)CCNC(N)=O)CC2)nn1 1095414795 VTUZANUPSUABFR-UHFFFAOYSA-N 317.353 -0.508 30 20 DBED N#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1ccc(S(N)(=O)=O)o1 1095683603 RVMCISQMPZMAMB-UTLUCORTSA-N 324.362 -0.214 30 20 DBED CN1C[C@H](C(=O)NCCCN(C)c2nccnc2C#N)CC1=O 1095761968 UZQNNXCIDCVDFG-LLVKDONJSA-N 316.365 -0.231 30 20 DBED CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCCN(c2ccnc(C#N)n2)C1 1096134613 LEIFDYUXMHTUMA-CMPLNLGQSA-N 316.365 -0.042 30 20 DBED C=CCOCC(=O)N[C@@H]1CCCN(c2ccc3nnnn3n2)C1 1096155267 GFNMCCBFPXFZNH-LLVKDONJSA-N 317.353 -0.193 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H]1CCN(c2nccn3nnnc23)C1 1096442769 UNXVYKCQHAJGQU-MNOVXSKESA-N 315.337 -0.748 30 20 DBED C[C@@H](CNC(=O)c1cn(C)ccc1=O)N=c1cc[nH]c(C#N)n1 1098409817 WKYHHHNUBJFJLE-JTQLQIEISA-N 312.333 -0.301 30 20 DBED C#CCN(CCO)C1CCN(C(=O)c2ccc(C(N)=O)[nH]2)CC1 1098480167 SRKHNKGIVFRVIJ-UHFFFAOYSA-N 318.377 -0.354 30 20 DBED N#Cc1cncc(NC[C@@H]2CCN(C(=O)CNC(N)=O)C2)n1 1098501437 YNHINUURZNCONN-VIFPVBQESA-N 303.326 -0.723 30 20 DBED C[C@H](O)CNCc1cn([C@H]2CCN(C(=O)C#CC3CC3)C2)nn1 1098669947 ZJVZJRCXLSPLSI-WFASDCNBSA-N 317.393 -0.065 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(CCn2cncn2)C[C@@H]1O 1099737923 GGYXPZCSIZRDHB-OLZOCXBDSA-N 309.370 -0.968 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCN(Cc2nncs2)C[C@@H]1O 1099835258 FNTAADHRMCXBOX-NEPJUHHUSA-N 324.406 -0.371 30 20 DBED C=CCCCN1CC[C@H](NC(=O)C(=O)NCC(F)F)[C@@H](O)C1 1099901564 KWRKBBICNHJIIA-QWRGUYRKSA-N 319.352 -0.115 30 20 DBED CC#CCN1CC[C@H](NC(=O)CS(=O)(=O)CCC)[C@@H](O)C1 1100114784 SXDZYLFFZZXGJQ-STQMWFEESA-N 316.423 -0.614 30 20 DBED C[C@H]1C[C@H](C(=O)NCCN(C)c2cncc(C#N)n2)CC(=O)N1 1100211499 PFERDLIYCFTBRA-QWRGUYRKSA-N 316.365 -0.185 30 20 DBED CN(CCNC(=O)CCS(C)(=O)=O)c1cncc(C#N)n1 1100393956 DJVVALGXBCEVPJ-UHFFFAOYSA-N 311.367 -0.665 30 20 DBED CCN(CCNC(=O)c1cnnn1C)c1cnc(C#N)cn1 1100508948 DSNOHOUFBYXMGN-UHFFFAOYSA-N 300.326 -0.267 30 20 DBED C#CCNC(=O)[C@H](C)NC1CC(CNC(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1100587198 LFKIPWCMHGSCBN-KJHPDVCTSA-N 319.405 -0.499 30 20 DBED CC(C)[C@@H](O)C(=O)N[C@H]1CC2(CN(CC#N)C2)n2ccnc21 1101628066 UYQVDBTYCNGBIA-NWDGAFQWSA-N 303.366 -0.005 30 20 DBED CCc1nc(C#N)cc(N2CC[C@@H](CCNC(=O)C(N)=O)C2)n1 1102387452 SIHWCKSEOUPCEN-SNVBAGLBSA-N 316.365 -0.271 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)c1cnnn1C 1103961424 ANSXSEPPJUUEOM-SECBINFHSA-N 300.326 -0.623 30 20 DBED O=C(C#CC1CC1)NC[C@H](O)CNc1nc[nH]c2ncnc1-2 1105825414 FEMHHFLEAZXLSI-JTQLQIEISA-N 300.322 -0.393 30 20 DBED Cc1cc(=NC[C@H](O)CNC(=O)c2cnco2)c(C#N)c[nH]1 1106042357 STXSIJDMXUQGAA-NSHDSACASA-N 301.306 -0.126 30 20 DBED Cc1nc(NC[C@H](O)CNC(=O)[C@@H]2CCNC2=O)ccc1C#N 1106052124 TXKOXXGKYZMPCL-NWDGAFQWSA-N 317.349 -0.713 30 20 DBED C[C@@H](CCN=c1cc[nH]cc1C#N)NC(=O)[C@@H]1CNC(=O)N1 1106542512 GJUIOFQRNTWGTN-CABZTGNLSA-N 302.338 -0.637 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@H]1C 1106772352 MGPGJPYSWOXLPZ-VXGBXAGGSA-N 306.366 -0.754 30 20 DBED CCN(CCNc1nccnc1C#N)C(=O)Cn1ncnn1 1106851719 KVFINOWEGPZITB-UHFFFAOYSA-N 301.314 -0.705 30 20 DBED C=C(C)CN1CC(n2cc(CNC(=O)CNC(=O)OC)nn2)C1 1107137428 WLKZMRTUIRRUHL-UHFFFAOYSA-N 322.369 -0.317 30 20 DBED CC(=O)N1CC(C(=O)NC/C=C\CN=c2cc[nH]cc2C#N)C1 1107168959 RGXAYWJVKAMHJZ-IHWYPQMZSA-N 313.361 -0.062 30 20 DBED C=CCOCCN1CCO[C@@](C)(CNC(=O)c2cn(C)nn2)C1 1107918641 UNJBIOYMGFWMFW-HNNXBMFYSA-N 323.397 -0.162 30 20 DBED Cc1[nH]nc(C(=O)N[C@@H](C)CN=c2cc[nH]c(C#N)n2)c1O 1108311674 LPJRXWAVQGVKLA-ZETCQYMHSA-N 301.310 -0.262 30 20 DBED CCc1nc(C#N)cc(NC[C@H](C)NC(=O)[C@H](C)NC(N)=O)n1 1108323151 IEUOVFXVMFKVSE-IUCAKERBSA-N 319.369 -0.116 30 20 DBED COC[C@H](OC)C(=O)N[C@H](C)CN(C)c1nccnc1C#N 1109218996 CXYILCRTYVOQPJ-PWSUYJOCSA-N 307.354 -0.049 30 20 DBED C[C@H](CN(C)c1cnc(C#N)cn1)NC(=O)[C@H]1CC(=O)N(C)C1 1109295790 OAKIDOBXKQUGDR-MNOVXSKESA-N 316.365 -0.233 30 20 DBED N#Cc1ccc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)CNC(N)=O)nc1 1109680170 XYGAREYLGTVBCA-GBIKHYSHSA-N 300.322 -0.685 30 20 DBED CC(=O)N[C@@H](C)C(=O)N[C@@]1(C)CCN(c2cncc(C#N)n2)C1 1110716983 MYLYLGRMPFJKBW-BONVTDFDSA-N 316.365 -0.042 30 20 DBED N#Cc1ccc(NCCN(CCO)C(=O)CCCC(N)=O)nn1 1111485636 DTHKLUGMMKFQGV-UHFFFAOYSA-N 320.353 -0.763 30 20 DBED CN(CCCN(C)c1ccc(C#N)nn1)C(=O)[C@@H]1CNC(=O)N1 1112168297 GVSGOXIMRNLPEA-NSHDSACASA-N 317.353 -0.686 30 20 DBED CC1(C)CN(c2ccc(C#N)nn2)CC[C@@H]1NC(=O)CC(N)=O 1112371022 DFYPKXOYMIVLBE-NSHDSACASA-N 316.365 -0.055 30 20 DBED CN1CCC[C@@H]1CCC(=O)N1CCN(CC(=O)NCC#N)CC1 1112979703 CALDGTQXDLZRNM-CQSZACIVSA-N 321.425 -0.355 30 20 DBED CCNC(=O)CC(=O)NC[C@H](C)N(C)c1nccnc1C#N 1113566869 DAZUJHAHLIDYPG-JTQLQIEISA-N 304.354 -0.185 30 20 DBED Cn1cccc1C(=O)NC1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]12 1113861113 UZDMEIFOKVZQSM-GHMZBOCLSA-N 301.350 -0.675 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)CCn3cccn3)[C@@H]2C1 1113874027 SKDNEROSCYMOOE-CHWSQXEVSA-N 317.393 -0.378 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)CCc3cnc[nH]3)[C@H]2C1 1114384687 PYSRWDSCJVAHPG-STQMWFEESA-N 317.393 -0.309 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)CN3CCCCC3=O)[C@H]2C1 1114515594 HMXLBPISCBTVJQ-HALDLXJZSA-N 319.405 -0.305 30 20 DBED COCC#CCN1C[C@@H]2C(NC(=O)c3ncc(OC)cn3)[C@H]2C1 1114543079 OJGUKJFFVLYFTM-STQMWFEESA-N 316.361 -0.205 30 20 DBED Cc1cc(C#N)nc(N2C[C@@H]3C(CNC(=O)CC(N)=O)[C@H]3C2)n1 1114546473 CXYBEMQGTATUBZ-VXGBXAGGSA-N 314.349 -0.670 30 20 DBED C=CCCCC(=O)N[C@H]1[C@@H]2CN(CCN3C(=O)CNC3=O)C[C@@H]21 1114760225 WSVCFSJRFKGHQZ-JYAVWHMHSA-N 320.393 -0.059 30 20 DBED C[C@H](C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21)C(C)(F)F 1114853315 BPEMYBWMKAABRL-SVDPJWKOSA-N 314.336 -0.036 30 20 DBED C[C@@H]1CCO[C@@H]1C(=O)NC1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]12 1114856137 HGLVURGCKLQQAB-BIAAXOCRSA-N 306.366 -0.902 30 20 DBED CC#CCN1C[C@@H]2C(NC(=O)COCc3nncn3C)[C@H]2C1 1115055622 KAKBZYKKLCRBBQ-RYUDHWBXSA-N 303.366 -0.599 30 20 DBED Cn1cnn(CC(=O)NCC2(NCC#N)CCCCC2)c1=O 1115608580 UBFVIISIQVQYJW-UHFFFAOYSA-N 306.370 -0.486 30 20 DBED CC1(N)CCN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CC1 1119036478 KHKHWFSTQHRPFW-ZDUSSCGKSA-N 319.409 -0.475 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC[C@H]2C[C@@H](N)C2)C1=O 1119368280 IARDYMMSOMLRRR-GRYCIOLGSA-N 308.382 -0.915 30 20 DBED Cn1cnc(C(=O)NC[C@@H](CO)Nc2ncccc2C#N)n1 1121433068 TZPKYGICHSPOND-JTQLQIEISA-N 301.310 -0.715 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H](CO)Nc1ccc(C#N)cn1 1122035942 KCEABBGDEGSQGN-AAEUAGOBSA-N 302.334 -0.119 30 20 DBED N#Cc1nc(=N[C@H](CO)CNC(=O)C2(C3CC3)CC2)cc[nH]1 1122170390 CCBIKKVKPUZEHH-NSHDSACASA-N 301.350 -0.151 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)[C@@H]2[C@H]3COC[C@H]32)nc1 1122373226 YWCUMONRIABYQS-CIQGVGRVSA-N 302.334 -0.265 30 20 DBED C[C@H]1CCCN1CC(=O)NC[C@@H](CO)N=c1cc[nH]cc1C#N 1122526494 LADDVPJAQSDULR-JSGCOSHPSA-N 317.393 -0.252 30 20 DBED N#Cc1cccnc1N[C@H](CO)CNC(=O)CCc1cnn[nH]1 1122585166 QHISRUYJLJRKNP-LBPRGKRZSA-N 315.337 -0.407 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)CCn2cncn2)C1=O 1123671549 URTCHDKZVKWJNK-GFCCVEGCSA-N 306.370 -0.839 30 20 DBED CN(C[C@@H](O)CNc1cncc(C#N)n1)C(=O)c1cnns1 1124092184 WSPRZUPYIUSSLY-VIFPVBQESA-N 319.350 -0.255 30 20 DBED CN(C[C@@H](O)CNc1cncc(C#N)n1)C(=O)c1cocn1 1124206503 ACEOSLXBIJUBLW-JTQLQIEISA-N 302.294 -0.119 30 20 DBED CN(C[C@H](O)CN(C)c1ncccc1C#N)C(=O)c1cnon1 1125138883 COVPXXOBGDQVEA-LLVKDONJSA-N 316.321 -0.094 30 20 DBED C=C[C@](C)(O)CC(=O)NCCNCC(=O)N(CC)CCC#N 1126359781 BQWLZHGBBLSRFU-HNNXBMFYSA-N 310.398 -0.219 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)c2nn(C)cc2C)C1=O 1126954802 RITIXAAFZGZGMG-GFCCVEGCSA-N 305.382 -0.165 30 20 DBED C#CCO[C@@H](C)C(=O)NCCNCC[C@@H]1CCS(=O)(=O)C1 1127046221 OFOITQUVXPZEQQ-QWHCGFSZSA-N 316.423 -0.445 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cccc2nn[nH]c12 1128055472 KYRJDECXVJVNSK-UHFFFAOYSA-N 300.322 -0.973 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)C(C)(C)NC(C)=O)C1 1129327359 UKGFOQXGEYZQID-OLZOCXBDSA-N 318.381 -0.833 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCNCc1ccc(OC)nn1 1129762444 MTEHQBXDXPULAJ-AWEZNQCLSA-N 317.393 -0.211 30 20 DBED C=CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CC(N)=O)CC1 1130282028 NZMVYADVRCYXKG-WBMJQRKESA-N 322.409 -0.477 30 20 DBED CO[C@H](C)CC(=O)NCc1nc([C@@H]2COCCN2CC#N)n[nH]1 1130832287 VTLRMURQWBZCJA-MNOVXSKESA-N 322.369 -0.257 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1ccn2cncc2c1 1130868030 WPTWREFKIPBZBJ-UHFFFAOYSA-N 301.350 -0.044 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@]12CCCC[C@@H]1OCC2 1131211286 BZQNJOHTVZOOJN-BBRMVZONSA-N 307.394 -0.209 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)[C@H](CC)NC(C)=O)C[C@@]3(C1)O2 1131273544 IWARRNULAFNKRC-QSJFSLAZSA-N 319.405 -0.164 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)[C@H](F)C(C)C 1132553357 MBLDNLUKCIYSGO-LLVKDONJSA-N 302.350 -0.302 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)Cn1cc(C)cn1 1133834641 BPZUQVMQZKWHTK-KGLIPLIRSA-N 319.409 -0.186 30 20 DBED C=CCCN[C@@H](C)C[C@H](C)NC(=O)CNC(=O)CNC(C)=O 1134769028 IEXPMVNGNYXUOR-RYUDHWBXSA-N 312.414 -0.312 30 20 DBED C#CCN[C@@H](C)C[C@H](C)NC(=O)CCn1cc[nH]c(=O)c1=O 1135686711 MBKPOIIQZIQGQI-RYUDHWBXSA-N 306.366 -0.567 30 20 DBED C#CCCN[C@@H](C)C[C@H](C)NC(=O)c1cn(CC(N)=O)nn1 1146583301 JPUGMBFELPVPIZ-QWRGUYRKSA-N 306.370 -0.727 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC2(CN(C(=O)[C@H]3CCCO3)C2)C1 1146934179 RLDXIERCBXTWDK-UONOGXRCSA-N 319.405 -0.162 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)CCN(C)C)C2 1148210978 ZCPXSDPHDLWQDN-UHFFFAOYSA-N 306.410 -0.778 30 20 DBED C=CCN1CCCO[C@@H](CNC(=O)CC[C@H]2NC(=O)NC2=O)C1 1150684865 CCWCGFUJLXNTEY-NWDGAFQWSA-N 324.381 -0.632 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)Cc1cc[nH]n1 1152522125 YRJTUXXEFRXSNI-LLVKDONJSA-N 306.370 -0.581 30 20 DBED C=CCNC(=O)CN1CC=C(CCNC(=O)CNC(C)=O)CC1 1159085301 FRXIBDYTQVDDLT-UHFFFAOYSA-N 322.409 -0.437 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)c1cnn2c1CCC2 1159479270 ODXCCJSCWMWETM-GFCCVEGCSA-N 317.393 -0.323 30 20 DBED N#CCNC(=O)CNCCCNC(=O)[C@@H]1CCc2cncn2C1 1161309056 IEMDOMZIBGEIJY-GFCCVEGCSA-N 318.381 -0.819 30 20 DBED N#CCNC(=O)CNCCCNC(=O)[C@@H]1CCC[C@H](C(N)=O)C1 1167503650 BTFXDVKSOIOFJV-NWDGAFQWSA-N 323.397 -0.986 30 20 DBED CC#CCNCCCNC(=O)Cn1[nH]cc2c(=O)ncnc1-2 1168653650 ZIRLVEIDKFMVTG-UHFFFAOYSA-N 302.338 -0.810 30 20 DBED C=CCNC(=O)CNCCCC[C@H](C)NC(=O)c1ncn(C)n1 1170578762 ZTFLEOOSRDYPCJ-LBPRGKRZSA-N 322.413 -0.005 30 20 DBED CC(C)[C@@H](C(=O)NCCCNCC(=O)NCC#N)N1CCCC1 1176997735 YSTBYBQLGPZDRZ-HNNXBMFYSA-N 323.441 -0.158 30 20 DBED C=CCO[C@H](C)C(=O)NCCCNC[C@H](O)COCCOC 1177273102 HQPXGPVKJHDWEN-KGLIPLIRSA-N 318.414 -0.303 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)c2cn(C)nc2C)C1 1181709054 KPASJEAAHMKMQD-GFCCVEGCSA-N 305.382 -0.165 30 20 DBED N#CCNC(=O)CN[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 1182051202 MZQOLBBLHGFSAT-LLVKDONJSA-N 300.322 -0.670 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)Cc2ccn(C)n2)C1 1182466147 JDXHUONIELYKPQ-TZMCWYRMSA-N 317.393 -0.709 30 20 DBED CN(C)C(=O)CC(=O)N1C[C@H](CNCC#N)C2(CCOCC2)C1 1186513256 PDZGSTDGHUJINX-ZDUSSCGKSA-N 322.409 -0.167 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)Cc2nonc2C)C1 1186695458 WVETZBJGAIKSTH-LLVKDONJSA-N 307.354 -0.587 30 20 DBED C#CCOCCC(=O)N1CC[C@H](N(C)[C@H](C)C(=O)NC(N)=O)C1 1190113443 JKHPMFUYZWJGHV-NEPJUHHUSA-N 324.381 -0.858 30 20 DBED CCCCCCCN1C[C@@H](O)[C@H](NC(=O)CNC(N)=O)C1 1190977109 CWMBSTLOVAGHFS-VXGBXAGGSA-N 300.403 -0.214 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2csnn2)C1 1191586887 OZRWVZUERTTZDA-SNVBAGLBSA-N 309.395 -0.013 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)c2cocc2C)C1 1195333564 KAZUACXXNDVMOZ-IACUBPJLSA-N 319.361 -0.499 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)CNC(=O)CC2CCCC2)C1 1196910856 FDQFDWOTIGCRDS-ZIAGYGMSSA-N 307.394 -0.523 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)C(C)(C)NC(=O)C(F)(F)F)C1 1198982741 LETJAMNOTCYLEP-RKDXNWHRSA-N 321.299 -0.762 30 20 DBED C#CCNC[C@H]1CN(C(=O)c2cn3c(n2)COCC3)CCCO1 1200806942 TUQWYTMMZAKYMH-ZDUSSCGKSA-N 318.377 -0.133 30 20 DBED C[C@H](C(=O)N1CCCO[C@@H](CNCC#N)C1)S(C)(=O)=O 1200816304 ZUZNKWJAISVJPD-MNOVXSKESA-N 303.384 -0.850 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)c2cnnc(O)c2)CC1 1201157102 QRAVVQHCLOOFAD-UHFFFAOYSA-N 319.365 -0.321 30 20 DBED Cc1csc(=O)n1CC(=O)N1CCCO[C@H](CNCC#N)C1 1202042524 YECNNIJKTRLHSO-GFCCVEGCSA-N 324.406 -0.051 30 20 DBED N#CCNC[C@@H]1CN(C(=O)c2c[nH]c(C(N)=O)c2)CCCO1 1202078385 FIYSBFGVHIQVQD-LLVKDONJSA-N 305.338 -0.542 30 20 DBED COCC#CCN[C@@H]1C[C@@H](NC(=O)Cn2cnnn2)C12CCC2 1202382674 HIOVUVHNICZHDU-CHWSQXEVSA-N 318.381 -0.660 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)[C@@H](C)OCC)CC1 1204586758 HAKMVMZKBAHISD-CYBMUJFWSA-N 309.410 -0.011 30 20 DBED COCC#CCNCC1CCN(C(=O)[C@H]2CCC(=O)N2)CC1 1204787483 XAMKZMQVSPDLEJ-CQSZACIVSA-N 307.394 -0.257 30 20 DBED C#CCOCCC(=O)N1CCC(CN[C@H](C)C(=O)NC)CC1 1205258599 HNBYGKDXUZJFQU-CYBMUJFWSA-N 309.410 -0.011 30 20 DBED C=CCNCC1CCN(C(=O)CNC(=O)CNC(C)=O)CC1 1205542914 ALVICWUOAVREKQ-UHFFFAOYSA-N 310.398 -0.747 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)[C@@H]1CC1(F)F 1206932621 LKGSQMVXCCXEEU-KXUCPTDWSA-N 300.309 -0.282 30 20 DBED C=CCN(CC=C)C(=O)CN[C@H]1CCCN(C(=O)CC(N)=O)C1 1207725033 HCANYDSYCTYPQT-ZDUSSCGKSA-N 322.409 -0.357 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@@H](C)n2cncn2)C1 1207830381 ZVKUKYSAWWAXQU-CHWSQXEVSA-N 318.381 -0.831 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)c2ccc(C)nn2)C1 1208005885 QTHGKJSCZCQDDL-CYBMUJFWSA-N 315.377 -0.271 30 20 DBED C[C@H](N[C@H]1CCCN(C(=O)C#CC2CC2)C1)C(=O)NC(N)=O 1208008754 LAFUFGMNGRTAOF-JQWIXIFHSA-N 306.366 -0.436 30 20 DBED C[C@@H]1CN(C(=O)Cc2ccnn2C)C[C@H]1NCC(=O)NCC#N 1214517797 ITZORDLCTCXRAL-DGCLKSJQSA-N 318.381 -0.961 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@]2(C)CCC(=O)N2)C[C@H]1C 1215481884 BWNUUHOISNWJPW-HSMVNMDESA-N 322.409 -0.606 30 20 DBED C=CCNC(=O)NC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)CC 1217145747 IJXNSZAPOQBZJW-NWDGAFQWSA-N 324.381 -0.680 30 20 DBED N#CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1ccco1 1217196332 LJZSOVYMSNNIRD-WCQYABFASA-N 318.333 -0.555 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)CNC(=O)CCC)C1 1219293157 MXIADJPSWKILMJ-OLZOCXBDSA-N 313.398 -0.733 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@H](NC(C)=O)C2CCCC2)C1 1219973859 WPVBBWLWRQVJRA-QLFBSQMISA-N 307.394 -0.524 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2CN(CCOCC)C[C@@H]2O)c1 1220321362 XQFNJMFPMCPLEO-CABCVRRESA-N 303.362 -0.126 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)[C@@H](C(C)C)N2CCCC2=O)C1 1221167290 HEBCDZFSWJMGOM-VNHYZAJKSA-N 309.410 -0.019 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)CC[C@@]2(C)CCC(=O)N2)C1 1221204990 VCZKBCAJTWRRHR-WWGRRREGSA-N 307.394 -0.380 30 20 DBED COCC#CCN1CC[C@@H]2CN(C(=O)[C@@H]3CCC(=O)NC3)[C@@H]2C1 1221664276 NCJVUWXKBFYKLX-RBSFLKMASA-N 319.405 -0.305 30 20 DBED C=CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)c1cnnn1C 1233991347 PUSRKUQBPHKJNL-LLVKDONJSA-N 306.370 -0.736 30 20 DBED CC#CCN1CC[C@H]1CN(C)C(=O)Cn1ccc(=O)n(C)c1=O 1235005433 KRKLNYQVGJXWJF-ZDUSSCGKSA-N 318.377 -0.897 30 20 DBED CC#CCCNC(=O)C(=O)NC1CCN(C(=O)CCOC)CC1 1261145568 LURGHAJFCMZMFF-UHFFFAOYSA-N 323.393 -0.340 30 20 DBED Cc1cc(NC(=O)C(=O)N[C@H](C)C(=O)N(C)C)ncc1C#N 1261547854 WMPXPWPNMXEEKS-SECBINFHSA-N 303.322 -0.207 30 20 DBED C#CCN(CC)c1nnnn1CCS(=O)(=O)NC(C)C 1262403851 UMIVRPNDSLYXCK-UHFFFAOYSA-N 300.388 -0.540 30 20 DBED N#CCCCS(=O)(=O)N1CCC[C@H](CNS(N)(=O)=O)C1 1320625260 AFTHGAQLDVKPKN-SNVBAGLBSA-N 324.428 -0.875 30 20 DBED C=C(C)COCCNC(=O)C(=O)NCCS(=O)(=O)CC 1324281733 WJPDMHNAHPNMBU-UHFFFAOYSA-N 306.384 -0.754 30 20 DBED C=CC[C@H](CO)CNC(=O)C(=O)Nc1ccnc(COC)n1 1327590463 JJOIXFYAGQRBRV-JTQLQIEISA-N 308.338 -0.138 30 20 DBED CS(=O)(=O)C1(CNC(=O)C(=O)NCCCCC#N)CC1 1328617893 VWDIZAQNFRPJAB-UHFFFAOYSA-N 301.368 -0.510 30 20 DBED C=C(C)CS(=O)(=O)N1CCC(n2cc(C(N)=O)nn2)CC1 1331371342 QXZIDFFPWQHJOL-UHFFFAOYSA-N 313.383 -0.080 30 20 DBED C[C@H]1CCN1C(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1331522882 YEFZCGOHLUACEI-ASGQQMQCSA-N 306.322 -0.750 30 20 DBED C[C@H]1CN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)C[C@@H](C)N1C 1332382792 CAAVCALLQWBUJL-ZOWXZIJZSA-N 308.382 -0.586 30 20 DBED CC(C)(C)n1nnc(CNC(=O)C(=O)NCCCCC#N)n1 1332996331 GXSCZTIGFZJXOK-UHFFFAOYSA-N 307.358 -0.146 30 20 DBED C=CCn1c([C@H](O)COC)nnc1N1CC[C@H](NC(C)=O)C1 1340658098 GWXRZLLMQXPNRO-NWDGAFQWSA-N 309.370 -0.141 30 20 DBED CC(C)(C)N1C[C@@H](NC(=O)C(=O)N2CC[C@@](F)(C#N)C2)CC1=O 1343022262 LHEGDXHCWDKAIB-ZUZCIYMTSA-N 324.356 -0.034 30 20 DBED C#CCCCC(=O)N[C@@H]1CCN(c2cc(=O)n(C)c(O)n2)C1 1349554896 MKJJHFCCRVEJEV-LLVKDONJSA-N 304.350 -0.016 30 20 DBED COC(=O)C1(C#N)CCN(C(=O)[C@@H]2OCCN(C)C2=O)CC1 1350759401 QHZOAPKVVWTKJH-SNVBAGLBSA-N 309.322 -0.851 30 20 DBED C=CCOCCn1nnnc1N1CCC[C@@H](N2CCNC2=O)C1 1355630217 XTAAYFUFUABLNC-GFCCVEGCSA-N 321.385 -0.130 30 20 DBED CN1CC[C@H](CNC(=O)CCn2cc(C#N)c(O)nc2=O)C1 1362140011 YSAFIKSDORJFGF-SNVBAGLBSA-N 305.338 -0.721 30 20 DBED CS(=O)(=O)C[C@@H]1CCCN(C(=O)Cn2cnc(C#N)n2)C1 1362657402 CHAPWMRCHCPPKF-SNVBAGLBSA-N 311.367 -0.567 30 20 DBED N#Cc1cn(CC(=O)NCC[C@H]2CCCCO2)c(=O)nc1O 1362686925 XCVRJRFIHSNMLU-LLVKDONJSA-N 306.322 -0.104 30 20 DBED Cc1ncccc1CC(=O)NCCn1cc(C#N)c(O)nc1=O 1363003771 MDNMADMJUQOARU-UHFFFAOYSA-N 313.317 -0.117 30 20 DBED N#Cc1csc(C(=O)NC[C@]2(O)CCS(=O)(=O)C2)c1 1363256117 ZTEUDNXSUOENGN-LLVKDONJSA-N 300.361 -0.101 30 20 DBED C=C(Cl)CN1CC[C@H]1CNC(=O)Cn1cnc(C(N)=O)n1 1367937087 LNEHDYGSLSYELB-VIFPVBQESA-N 312.761 -0.680 30 20 DBED CN(C[C@@H](O)CNCc1cnnn1C)C(=O)c1cc(C#N)c[nH]1 1369460330 NBPZKTIEYCFFBM-LBPRGKRZSA-N 317.353 -0.762 30 20 DBED CCCN(CCNC(=O)[C@@H](C)C#N)C(=O)c1cc(=O)n(C)cn1 1374167688 NCSFFYXTOYPBCW-NSHDSACASA-N 319.365 -0.092 30 20 DBED C[C@@H](C#N)C(=O)N(C)C[C@H]1CCN(C(=O)C2(NC(N)=O)CC2)C1 1374472418 JMPIAONYNYNRQM-WDEREUQCSA-N 321.381 -0.346 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](C)CNC(=O)c1ccc(=O)n(C)n1 1375765805 XVHYGBUXGDNLKQ-ZJUUUORDSA-N 305.338 -0.578 30 20 DBED COCCN(CCNC(=O)c1ccnn1C)C(=O)[C@@H](C)C#N 1384391245 PGYGLXQKXANESM-NSHDSACASA-N 307.354 -0.215 30 20 DBED C[C@@H](CNC(=O)c1c[nH]c(C#N)c1)NC(=O)c1ncn(C)n1 1386229763 KIGLYZDOGQUBFR-QMMMGPOBSA-N 301.310 -0.437 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1cn2ccccc2n1 1392163062 QIBVCHKCZOCBSR-GHMZBOCLSA-N 315.333 -0.299 30 20 DBED CCCN(CCNC(=O)[C@H](C)C#N)C(=O)CS(=O)(=O)CC 1398269377 JNMPDYWKCQLHQS-LLVKDONJSA-N 317.411 -0.064 30 20 DBED N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)CCc1nc[nH]n1 1413393812 IQEZQRJVIOYZEX-UHFFFAOYSA-N 316.325 -0.193 30 20 DBED CC(=O)N1CC[C@](C)(C(=O)NCCN(C)C(=O)[C@@H](C)C#N)C1 1415619716 QQAXJSXVGLBVSS-NHYWBVRUSA-N 308.382 -0.021 30 20 DBED C[C@@H](C(=O)NC[C@@H]1CCCN1CCCO)n1cnc(C#N)n1 1417876714 VZXSBODTGIJDPM-RYUDHWBXSA-N 306.370 -0.326 30 20 DBED CC(C)[C@H](CNC(=O)c1cc(C#N)c[nH]1)NCc1nnnn1C 1482520865 PUANGKBNRAYCGL-LBPRGKRZSA-N 316.369 -0.046 30 20 DBED C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)CS(=O)(=O)NC)C1 1488799922 RGPXYDCAIYUGPZ-AOOOYVTPSA-N 309.819 -0.228 30 20 DBED C#CCNC[C@H]1CCCCN1C(=O)CN1CC(=O)N(C)C1=O 1570091802 HJPCFNRHFAXOLB-GFCCVEGCSA-N 306.366 -0.516 30 20 DBED C=C(C)CCC(=O)NC[C@H](O)CN(C)C(=O)CNC(=O)O 1573324848 ZXLFVOZQZSMHOA-JTQLQIEISA-N 301.343 -0.454 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)CNC(=O)O)[C@H](O)C1 1573369236 PYLNSZZNCAGGAE-WDEREUQCSA-N 301.343 -0.992 30 20 DBED COC(=O)[C@H]1CCN(c2cnc(-c3nn[nH]n3)c(C#N)n2)C1 1579442302 DOFCIZPPILQZLP-ZETCQYMHSA-N 300.282 -0.472 30 20 DBED N#Cc1nc(NC(=O)CC2(O)CCOCC2)[nH]c1-c1nn[nH]n1 1581859867 AAWUPGHEGJFCCQ-UHFFFAOYSA-N 318.297 -0.668 30 20 DBED C=CCN(C(=O)[C@H]1CC(C(=O)O)=NO1)[C@@H]1CCS(=O)(=O)C1 1588460514 MNOKMSJVBHYZIT-PSASIEDQSA-N 316.335 -0.582 30 20 DBED C#CCNC(=O)CN(C)C1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)O)CC1 1588483917 MRPDOTIGIJFVIZ-OLZOCXBDSA-N 321.377 -0.621 30 20 DBED C=CCOCCNS(=O)(=O)c1cccnc1-c1nn[nH]n1 1588683458 UJXUARZWLPUPDH-UHFFFAOYSA-N 310.339 -0.257 30 20 DBED C[C@@H](C(=O)NCC1(CC#N)CC1)n1cnc(-c2nn[nH]n2)n1 1588979366 ULLXJMZXTMUNCK-QMMMGPOBSA-N 301.314 -0.171 30 20 DBED N#Cc1ncc(N2CC[C@H](O)C(F)(F)C2)nc1-c1nn[nH]n1 1592708406 PMNVWYVJCSSMBX-ZETCQYMHSA-N 308.252 -0.265 30 20 DBED N#C[C@H]1COCCN1S(=O)(=O)c1scnc1C(=O)O 1601063777 ZAGJDUJVWALYAE-LURJTMIESA-N 303.321 -0.246 30 20 DBED N#CCCN1CCN(C(=O)CN2CCC[C@@H](C(=O)O)C2=O)CC1 1601067809 NSJRUTWELUMXGT-GFCCVEGCSA-N 322.365 -0.633 30 20 DBED O=C(N[C@H]1[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]21)[C@H]1C[C@H]1C(=O)O 1601779863 JFJVFAXEVIDJJT-SVPLCASGSA-N 302.330 -0.307 30 20 DBED Cn1c(Cl)cnc1Cn1c(=O)c(C#N)cn(CC(=O)O)c1=O 1605466182 CMUSMJLIFHJKFN-UHFFFAOYSA-N 323.696 -0.599 30 20 DBED N#Cc1cn(CC(=O)O)c(=O)n(C[C@@H]2C[C@@H]3CCC[C@@H]3O2)c1=O 1605623092 UQDJCPPIEFPKSV-DLOVCJGASA-N 319.317 -0.076 30 20 DBED CNC(=O)[C@H]1CN(Cc2cnc3c(C#N)cnn3c2)CCO1 1645882054 GNNSOWWTBYSOJY-GFCCVEGCSA-N 300.322 -0.452 30 20 DBED C#CCCN1CCN(CCCNC(=O)C(C)(C)C(N)=O)CC1 1752343409 FNTSJGQFCGMRDQ-UHFFFAOYSA-N 308.426 -0.355 30 20 DBED C=CCOCCN1CCN(CCNC(=O)c2cc[nH]n2)CC1 1752364157 ZHTBALYQYMAXIZ-UHFFFAOYSA-N 307.398 -0.040 30 20 DBED C#CCNC(=O)CN[C@@H](CNC(=O)[C@@H]1CCO[C@H]1C=C)C1CC1 1752484224 GLUCUHZLQZKQMF-ILXRZTDVSA-N 319.405 -0.189 30 20 DBED COCC#CCN[C@H](CNC(=O)C[C@H]1CC(=O)NC1=O)C1CC1 1752497872 ONPYHUQEFHAABV-QWHCGFSZSA-N 321.377 -0.827 30 20 DBED C=CCNC(=O)[C@H](C)N(C)C[C@H]1CCCN(C(=O)CC(N)=O)C1 1752501737 AWZBXBGWTOCIRP-QWHCGFSZSA-N 324.425 -0.277 30 20 DBED C=CCCC(=O)N[C@H]1C[C@H](NCC(=O)N[C@H](C)C(=O)N(C)C)C1 1752620022 PEKBMCQTJPXCET-JHJVBQTASA-N 324.425 -0.218 30 20 DBED Cc1ncc(CC(=O)NCC[C@@H](C)NCC(=O)NCC#N)o1 1753007275 IDFKVPBXZPXSDQ-SNVBAGLBSA-N 307.354 -0.350 30 20 DBED COCCS(=O)(=O)CC(=O)NCC1(NCC#N)CCCC1 1753664944 JOSCFHMLIKNJBA-UHFFFAOYSA-N 317.411 -0.410 30 20 DBED CCc1oncc1C(=O)N[C@H]1[C@H]2C[C@H]1N(CC(=O)NCC#N)C2 1754428632 SQQITRAFGNTNRD-PXWWUCIGSA-N 317.349 -0.321 30 20 DBED C=CCCNC1(CNC(=O)CN2CCS(=O)(=O)CC2)CC1 1754533666 XHJRLTPTCFHKML-UHFFFAOYSA-N 315.439 -0.469 30 20 DBED COC[C@@H](C)[C@H](C)C(=O)N(C)C1CN(CC(=O)NCC#N)C1 1754576701 WAORMPXTFLWORX-NEPJUHHUSA-N 310.398 -0.313 30 20 DBED N#CCN1CC[C@](O)(CNC(=O)COCc2ccnc(O)c2)C1 1754753403 ZALAPWQUHFBCHA-HNNXBMFYSA-N 320.349 -0.620 30 20 DBED C#CCN1CC2(CC[C@@H](CNC(=O)CCc3cn(C)nn3)O2)C1 1755056459 CMDCNZMDPXLDSJ-AWEZNQCLSA-N 317.393 -0.270 30 20 DBED Cn1nnnc1CN1CC2(C[C@@H](NC(=O)C#CC3CC3)CO2)C1 1755061633 NFWFMJAYQUORQK-GFCCVEGCSA-N 316.365 -0.917 30 20 DBED Cn1cc(CN[C@@]2(CO)CCCN(C(=O)C#CC3CC3)C2)nn1 1755083343 PNMDACCQJWLEEJ-INIZCTEOSA-N 317.393 -0.328 30 20 DBED C#CCNC(=O)CN[C@H]1CN(C(=O)c2cnsn2)C[C@@H]1C 1755104321 ZTPHEMSRNRHGGS-ONGXEEELSA-N 307.379 -0.662 30 20 DBED C#CCNC(=O)CN[C@H](C)[C@@H](C)NC(=O)c1ccnnc1C 1755242000 KDXRHQTWTFKHJJ-GHMZBOCLSA-N 303.366 -0.369 30 20 DBED C=CCN1CC(CCO)(NC(=O)c2cc(=O)c(OC)c[nH]2)C1 1755333786 IZQBVTPKGZKXGQ-UHFFFAOYSA-N 307.350 -0.264 30 20 DBED CN(CC(=O)NCC#N)C1CCN(C(=O)Cc2ncc[nH]2)CC1 1755534449 NFXPIVAAYCLYNH-UHFFFAOYSA-N 318.381 -0.485 30 20 DBED COCC#CCN(C)CCOCCNC(=O)c1nonc1C 1755546396 XOSFXNVXHSGAGO-UHFFFAOYSA-N 310.354 -0.294 30 20 DBED CC(C)C#CC(=O)N(C)CCOCCNC(=O)c1nc[nH]n1 1756378767 GLRPYDCJAHOCKI-UHFFFAOYSA-N 307.354 -0.331 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@H](NC(=O)c2cnsn2)C1 1757155795 GDAUEMGQIIFTGL-MNOVXSKESA-N 308.363 -0.501 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(C(=O)Cc2ncc[nH]2)C[C@@H]1O 1757185704 ZMASAQXNQFQTOH-NEPJUHHUSA-N 322.365 -0.767 30 20 DBED C#CCOCCC(=O)N(C)C[C@H]1CCN1C(=O)CC(=O)NCC 1757289670 VPQPILOYJARARY-CYBMUJFWSA-N 323.393 -0.388 30 20 DBED CN(C)CCN(CC(=O)O)S(=O)(=O)c1ccoc1C#N 1777032032 VXLVPXPSQPMITQ-UHFFFAOYSA-N 301.324 -0.212 30 20 DBED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)c2ccnnc2)C1 1842400403 IMFMIWZTOXMFSK-UHFFFAOYSA-N 314.301 -0.618 30 20 DBED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)c1cncnc1)C2 1846195257 UPWPFROWZVLBNC-UHFFFAOYSA-N 314.301 -0.618 30 20 DBED N#CCCNC(=O)COC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O 6323686 AGYCHENJZTYXGG-QWRGUYRKSA-N 321.333 -0.265 30 20 DBED C#CCN1CCN(C(=O)CNC(=O)NCc2ccco2)CC1 112920773 UZGKRIUSIOFMNB-UHFFFAOYSA-N 304.350 -0.144 30 20 DBED CN(C)C[C@@](C)(O)CNC(=O)CNC(=O)c1ccc(C#N)cc1 123745485 PHHMPKZQDSFFEQ-INIZCTEOSA-N 318.377 -0.283 30 20 DBED N#C[C@@H]1CN(CCC(=O)NC(=O)NCC(F)(F)F)CCO1 177060178 APYHHVWZUOINHV-MRVPVSSYSA-N 308.260 -0.011 30 20 DBED N#Cc1cccc(OCCN2CCN3C(=O)C(=O)NC[C@H]3C2)c1 177110466 MWCYFVKZUKTJMC-ZDUSSCGKSA-N 314.345 -0.420 30 20 DBED C#CCN1CCN(C(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)CC1 195336818 DWUIGJJRCJPDOL-KBPBESRZSA-N 317.389 -0.061 30 20 DBED CS(=O)(=O)NCCNS(=O)(=O)c1ccc(C#N)s1 230335137 YIDKGYXCJPMYMT-UHFFFAOYSA-N 309.394 -0.553 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCCN(C)CC2)C1=O 264981404 KTCLLRMVOYBWAO-UHFFFAOYSA-N 308.338 -0.873 30 20 DBED CNS(=O)(=O)N1CCN(c2nnc(C)c(C)c2C#N)CC1 285146359 KLTCBZKFIVPDNQ-UHFFFAOYSA-N 310.383 -0.449 30 20 DBED CNC(=O)[C@H]1CN(C(=O)C/N=C(/O)c2ccoc2C)CCO1 330807362 KQCLRKQFJZPHTF-LLVKDONJSA-N 309.322 -0.134 30 20 DBED Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N[C@@H](C)C#N 330910578 VMTGPBIJJUZLRW-IONNQARKSA-N 313.383 -0.268 30 20 DBED CS(=O)(=O)N1CCN(/C(O)=N/CCOCC(F)F)CC1 330987788 JJTFDBPTYKOYLS-UHFFFAOYSA-N 315.342 -0.241 30 20 DBED C/N=C(/O)NC(=O)[C@H](C)N1CCN(C(=O)CCOC)CC1 331066599 QZDRGKJTTHXWLV-JTQLQIEISA-N 300.359 -0.784 30 20 DBED C[C@@]1(O)CCCN(S(=O)(=O)N2CCO[C@H](C#N)C2)CC1 337150829 JEZNDMSUTSAABH-VXGBXAGGSA-N 303.384 -0.308 30 20 DBED CC(=O)N1CC[C@@H](CN(C)c2c(C#N)c(=O)n(C)c(=O)n2C)C1 339054115 MGTUUYOJIVESCU-NSHDSACASA-N 319.365 -0.740 30 20 DBED C=CC[C@@H](CO)CNC(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 341839550 AOBYBFOHHXCUIR-VXGBXAGGSA-N 319.427 -0.248 30 20 DBED CC(C)[C@@H](C#N)NC(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1 343650551 GBKROWRKRQSAOS-GXSJLCMTSA-N 313.383 -0.249 30 20 DBED C=CCNC(=O)CNC(=O)N[C@H]1CCO[C@H]1c1nccn1C 345590768 KLWHHHHDQQFIDL-CMPLNLGQSA-N 307.354 -0.149 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@H](CCOC)C(=O)OC 352585277 CEJCPTNZKNWQCQ-WDEREUQCSA-N 321.399 -0.120 30 20 DBED Cc1ccc(S(=O)(=O)NCC(=O)N2CC(O)(CC#N)C2)cc1 355904526 SSTCJBCWRQVDEJ-UHFFFAOYSA-N 323.374 -0.240 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCCOCC2)C1=O 358331055 LBSMPWVVKVPCHD-OLZOCXBDSA-N 323.393 -0.083 30 20 DBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1nc[nH]n1 359792796 AOPKKFZTMUKEGH-QMMMGPOBSA-N 320.334 -0.018 30 20 DBED CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)N2CCO[C@H](C#N)C2)O1 408107708 YILZMGLVVQGWLG-TUAOUCFPSA-N 310.354 -0.444 30 20 DBED CS(=O)(=O)N1CCN(C(=O)NCC2(CC#N)CC2)CC1 431049877 KDBLBMSTDRNIED-UHFFFAOYSA-N 300.384 -0.033 30 20 DBED C#CCNC(=O)CCN1CCC(C(=O)N2CCOCC2)CC1 491156346 ZKUHHQBVYPDYDP-UHFFFAOYSA-N 307.394 -0.303 30 20 DBED C=CCC[C@@H](NC(=O)CCNS(C)(=O)=O)C(=O)OCC 514917101 LVCXLKOKYLLXAG-SNVBAGLBSA-N 306.384 -0.060 30 20 DBED COC(=O)[C@H]1CNC(=O)CN1C(=O)c1cc(C)c(C#N)cn1 575753477 VDWQVARMOCKKET-LLVKDONJSA-N 302.290 -0.625 30 20 DBED CC(C)(C#N)CCS(=O)(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 576552287 HIKDGSMEPFXISP-VIFPVBQESA-N 314.367 -0.508 30 20 DBED CC[C@@H](CC#N)NCC(=O)NCCCN(C)S(C)(=O)=O 582794143 DFUVATMMAOGMSR-NSHDSACASA-N 304.416 -0.334 30 20 DBED C=CC[C@@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C(=O)O 600652233 QSSWYRBDPJDWOL-ZCFIWIBFSA-N 304.284 -0.364 30 20 DBED C[C@@H](C#N)N(C)C(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 602424486 QVSKZSOAZCMAGX-YQPPGCHHSA-N 305.334 -0.091 30 20 DBED C=CCNC(=O)NC(=O)Cn1cc(CN2CCN(C)CC2)nn1 603173358 OWCLRJGTLLFCKX-UHFFFAOYSA-N 321.385 -0.963 30 20 DBED C=CCn1cc(CNC(=O)C(=O)NC[C@@H](C(=O)O)C(C)C)nn1 655997237 CZJFEQAGJSEWBX-LLVKDONJSA-N 323.353 -0.447 30 20 DBED CC(=O)NCC(=O)NCC(=O)OCc1ccc(F)cc1C#N 728623443 FYPJTPPJEDXHPB-UHFFFAOYSA-N 307.281 -0.007 30 20 DBED Cc1ccn2c(=O)c(C(=O)OCC(=O)NCC#N)cnc2c1 731242443 VNTDWIMEVQANSP-UHFFFAOYSA-N 300.274 -0.201 30 20 DBED N#CCN(CC#N)S(=O)(=O)c1cccc(-c2nn[nH]n2)c1 737692818 JWXQWHRVODTFST-UHFFFAOYSA-N 303.307 -0.095 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CC[C@@H](C(=O)N(C)C)O1 775215497 VLZTVJZNPPFZAK-IHRRRGAJSA-N 307.394 -0.164 30 20 DBED N#Cc1cnn2c(O)cc(COC(=O)CN3CCCC3=O)nc12 782619404 KQCKLLZOADUXJK-UHFFFAOYSA-N 315.289 -0.028 30 20 DBED C[C@@H](CC(=O)O)N1CCN(S(=O)(=O)N(C)CCC#N)CC1 827386944 ZNHFEBMLBIGVSL-NSHDSACASA-N 318.399 -0.443 30 20 DBED CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CC(=O)N2)[C@@H](C#N)C1 829693627 CAKRYKRADBVPPN-UWVGGRQHSA-N 308.338 -0.154 30 20 DBED C#C[C@H]1COCCN1C(=O)C(=O)N1CCC(C)(C(=O)O)CC1 843056525 PBUBBGUURIECKR-NSHDSACASA-N 308.334 -0.440 30 20 DBED CCOC(=O)Cn1ccc(NC(=O)N[C@@H]2CNC[C@@H]2C#N)n1 848598719 QECWGZJFZLWWNC-VHSXEESVSA-N 306.326 -0.321 30 20 DBED C#CCN1CCN(C(=O)CN2CC[C@H](N3CCOC3=O)C2)CC1 852432843 MFDTZXVXUNXIAD-AWEZNQCLSA-N 320.393 -0.710 30 20 DBED COCCN(C)CCN1C[C@@H](NC(=O)C#CC2CC2)CC1=O 868388412 UCSAWKFKEBNQMK-AWEZNQCLSA-N 307.394 -0.305 30 20 DBED C#CC1(O)CN(C(=O)CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)C1 890519598 PSOWZJGRNKLKOK-ZBEGNZNMSA-N 319.361 -0.306 30 20 DBED C#CC1(O)CN(C(=O)N[C@@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)C1 893330516 YZQFHCLLKITPIG-CMPLNLGQSA-N 317.349 -0.697 30 20 DBED C#CC1(O)CN(CC(=O)N2CCC(C(=O)N3CCCC3)CC2)C1 934443863 FOQOPMPHGMCLRU-UHFFFAOYSA-N 319.405 -0.473 30 20 DBED Cc1nc(CC(=O)N(C)[C@H]2CCN(C(=O)[C@H](C)C#N)C2)n[nH]1 939397242 NUZGDNMQIVNXOJ-KOLCDFICSA-N 304.354 -0.125 30 20 DBED C#CCN1CCOC2(CCN(C(=O)CCn3ccnn3)CC2)C1 949351866 JBHQTSJXJDSQSJ-UHFFFAOYSA-N 317.393 -0.005 30 20 DBED C#Cc1cncc(C(=O)NC[C@H]2CCN2C(=O)CC(N)=O)c1 952012537 SWRIVXPTVYPEFO-GFCCVEGCSA-N 300.318 -0.731 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@H]3CCN(C(=O)C(N)=O)C[C@H]32)c1 953453769 YIKWVYRSRQQFBP-ZYHUDNBSSA-N 315.333 -0.565 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2csc(NC(C)=O)n2)C1 958198715 AOEOIGYXZQIXLC-PWSUYJOCSA-N 322.390 -0.243 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2ccc3nnc(C)n3c2)C1 958200646 SGINQBSTQWOZOU-KGLIPLIRSA-N 313.361 -0.307 30 20 DBED C=CCCN1C[C@@H](O)[C@@H](CNC(=O)c2cc(=O)c(OC)c[nH]2)C1 958262041 FQBPJJHSISWLLW-SMDDNHRTSA-N 321.377 -0.018 30 20 DBED Cc1cc(C(=O)N(C)[C@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)n[nH]1 958669312 DIAWABJOHGKKNR-ZHAHWJHGSA-N 305.338 -0.479 30 20 DBED C=C(Cl)CN1C[C@@H]2C(NC(=O)C3CS(=O)(=O)C3)[C@H]2C1 960064555 GQUHQFFAJNLJRR-UWVGGRQHSA-N 304.799 -0.170 30 20 DBED CN(C)C(=O)[C@@H]1CC[C@H](C(=O)NC2[C@H]3CN(CC#N)C[C@H]23)O1 961744310 MUBGLBXIDLREGN-YFKTTZPYSA-N 306.366 -0.808 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)C(F)F)C[C@@H]2O)cn1 969351636 UNCIQEVEGGQUGO-MNOVXSKESA-N 309.272 -0.371 30 20 DBED CC#CCN1CC([C@H](C)NC(=O)[C@@H]2COCCN2C(C)=O)C1 970900790 FXXNLBQGKXMJCY-WFASDCNBSA-N 307.394 -0.307 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H]2[C@@H]3CN(C(=O)c4cnn[nH]4)C[C@@H]32)c1 976324142 PNEFAXMJAIZNQO-GDGBQDQQSA-N 311.305 -0.495 30 20 DBED C[C@@H](NCc1nc(O)n[nH]1)[C@H]1CN(C(=O)C#CC2CC2)CCO1 979326466 DKZDLTVORDCNSG-ZYHUDNBSSA-N 319.365 -0.371 30 20 DBED C#CCN(C)C1CCN(C(=O)[C@H]2CCN(C)S2(=O)=O)CC1 985697820 VFXKBNZCPIXWHH-CYBMUJFWSA-N 313.423 -0.424 30 20 DBED C=CCN[C@H]1CCN(C(=O)Cn2ncn3nccc3c2=O)[C@@H]1C 987113523 UZWBRYAJGUNQKR-NEPJUHHUSA-N 316.365 -0.344 30 20 DBED C#CCN[C@@H]1C[C@H](C)N(C(=O)c2nc(O)nc(O)c2OC)C1 989677102 VFLXOVNPDCDDIC-DTWKUNHWSA-N 306.322 -0.278 30 20 DBED C#CCN1CCC(C(=O)N2CC(NC(=O)[C@H]3CCOC3)C2)CC1 990415533 GXNKDEZAXJVYOR-AWEZNQCLSA-N 319.405 -0.305 30 20 DBED C[C@]1(C(=O)N2CC(NC(=O)c3cc(C#N)c[nH]3)C2)CCNC1=O 990707633 DMMOZKVPLWLWSA-HNNXBMFYSA-N 315.333 -0.647 30 20 DBED CC(=O)N1CCN(C(=O)C#CC2CC2)[C@H]2CS(=O)(=O)C[C@H]21 995419772 MJVDUJBJWUTCEF-OLZOCXBDSA-N 310.375 -0.744 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](NC(=O)c2cnnn2C)C(C)(C)C1 1008092263 KKICGHKYSCXTBR-KOLCDFICSA-N 304.354 -0.058 30 20 DBED CC1(C)NC(=O)N(CC(=O)N[C@H]2CCCN(CC#N)C2)C1=O 1009419191 QTGPDXAZUDGWOH-JTQLQIEISA-N 307.354 -0.579 30 20 DBED C[C@H](C#N)C(=O)N1CCCO[C@@H](CNC(=O)c2cnn[nH]2)C1 1019619778 YQQHNDMCSOVGDS-ZJUUUORDSA-N 306.326 -0.688 30 20 DBED C=CCN1CC[C@@H](N[C@H]2C[C@@H](NC(=O)Cc3cnc[nH]3)C2)C1=O 1022775655 CAJXVNDKZGTZPT-MBNYWOFBSA-N 317.393 -0.024 30 20 DBED C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 1023101407 MUMRNWDRSCWVRN-AEJSXWLSSA-N 307.803 -0.333 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)Cc3nnc(C)o3)C2)C1=O 1030277946 PQFBBJPIVBGUFQ-GFCCVEGCSA-N 319.365 -0.492 30 20 DBED C#CCCN1CC(CNC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 1031886369 IJBBKFRETMFDTG-UHFFFAOYSA-N 314.353 -0.621 30 20 DBED C#CCCN1CCO[C@H](CNC(=O)[C@H]2CCS(=O)(=O)C2)C1 1035438337 LILPPIOVLVJNPQ-QWHCGFSZSA-N 314.407 -0.739 30 20 DBED C#CCCN1CCO[C@H](CNC(=O)[C@@H]2CN(C(C)=O)CCO2)C1 1035593745 ZOOASTWBJLZFIL-CABCVRRESA-N 323.393 -0.926 30 20 DBED N#Cc1cc(C(=O)N[C@H]2[C@H]3C[C@H]2N(Cc2nc(O)n[nH]2)C3)c[nH]1 1037370555 HNXXBHWPVIJMCI-XRNSZHNASA-N 313.321 -0.287 30 20 DBED C=C(C)CN1C[C@H]2C[C@H]1[C@@H]2NC(=O)Cn1cnc(C(N)=O)n1 1037410499 AOLMJLDFNRPEAL-JFGNBEQYSA-N 304.354 -0.858 30 20 DBED C#CCN1CC[C@H]1CNC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 1038248742 YJPUIMOPAFIGPU-RYUDHWBXSA-N 301.350 -0.414 30 20 DBED O=C(C#CC1CC1)NC[C@@]1(O)CCN(C(=O)c2cccnn2)C1 1039680643 KEEFGPWQUJMANT-INIZCTEOSA-N 314.345 -0.417 30 20 DBED C=CCCOCC(=O)NC[C@]1(O)CCN(C(=O)[C@H](C)C#N)C1 1040161976 RQVXGELNSMUVFB-IUODEOHRSA-N 309.366 -0.182 30 20 DBED Cc1nc[nH]c1C(=O)NC[C@@]1(O)CCN(C(=O)[C@@H](C)C#N)C1 1040276565 YMTPLRJXBFCYCW-XPTSAGLGSA-N 305.338 -0.429 30 20 DBED CC#CCN1CC[C@@]2(CCN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)C1 1041368888 RPXQCRJXTLTGCZ-BLLLJJGKSA-N 318.377 -0.468 30 20 DBED C#CCN1CC[C@@]2(CCN(C(=O)Cn3ncn(C)c3=O)C2)C1 1041424238 YHQCJHWVERDFTL-OAHLLOKOSA-N 303.366 -0.861 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)Cn2cccn2)C1 1041464368 LHWYYXPNHJISCB-UHFFFAOYSA-N 306.366 -0.215 30 20 DBED C=CCN1CC[C@H]2CCN(C(=O)Cn3nc(C)n(C)c3=O)C[C@@H]21 1042333419 OOBOIDMGZRNGMM-KBPBESRZSA-N 319.409 -0.001 30 20 DBED CCn1ccnc1C(=O)NCC1(O)CN(C(=O)[C@@H](C)C#N)C1 1042820707 NTKUBYCWKWJDPQ-JTQLQIEISA-N 305.338 -0.634 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)CCCN(C)C)C1 1042938163 QHPBZCCMCCCUMQ-UHFFFAOYSA-N 309.410 -0.323 30 20 DBED Cc1nc(O)[nH]c1C(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042963068 FHLMPUMNYOGWJZ-UHFFFAOYSA-N 318.333 -0.860 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)c2ccns2)C1 1043035727 BZAFPHLMNFEGFM-UHFFFAOYSA-N 323.374 -0.514 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)c2cc3n(n2)CCC3)C1 1043515818 HZHKTENFLXFKLR-JTQLQIEISA-N 317.349 -0.708 30 20 DBED C=CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2ccccn2)C1 1043569485 WYWSDUWRLSPADN-LBPRGKRZSA-N 319.361 -0.024 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)c2ncc(F)cc2F)C1 1043779551 IOVHQMISQPGWIW-MRVPVSSYSA-N 324.287 -0.177 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)[C@H]2CCC(=O)NC2)C1 1043794382 GIIAZKSDWRDXQT-NSHDSACASA-N 309.366 -0.832 30 20 DBED Cc1cc(C(=O)N[C@@H]2CN(c3nccnc3C#N)C[C@@H]2O)on1 1043853580 CUGIPEVPRMCGIB-MNOVXSKESA-N 314.305 -0.376 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CN(Cc2nc(O)n[nH]2)C1 1043921796 AQHVBDPBAPXHJN-MNOVXSKESA-N 307.354 -0.256 30 20 DBED CO[C@H](C(=O)N1CC(O)(CNC(=O)[C@@H](C)C#N)C1)C1CCC1 1045560324 UULADZUEZFCHEQ-JQWIXIFHSA-N 309.366 -0.349 30 20 DBED C=CCN1CC[C@H](N2CCN(C(=O)[C@H]3CCCNC3=O)CC2)C1 1046037807 ZMGDEUUIFXBAOF-GJZGRUSLSA-N 320.437 -0.083 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)c2ccc(O)nc2)C1 1046487799 AOOFJPQXTBXNRX-UHFFFAOYSA-N 321.333 -0.707 30 20 DBED C=CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)N2C(=O)CCC2=O)C1 1047400811 KOPYEWMFYCFXIM-AVGNSLFASA-N 323.393 -0.397 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3nccn3C2)C1 1047434998 FABONEKCVHUKCY-KKUMJFAQSA-N 316.405 -0.028 30 20 DBED C=C(C)CN1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CC(=O)NC2=O)C1 1047650447 WHLXIUNRNRRDCR-WOPDTQHZSA-N 309.366 -0.881 30 20 DBED C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[C@@H]1NC(=O)NC1=O 1049883355 IUFBCFHXPGKCAD-RWMBFGLXSA-N 318.377 -0.327 30 20 DBED Cn1ncc2c1C[C@@H](C(=O)NC[C@@H]1COCCN1CC#N)CC2 1051085380 DZSVUWXBDLYACF-GXTWGEPZSA-N 317.393 -0.134 30 20 DBED N#CCN1CCOC[C@@H]1CNC(=O)[C@@H]1CCCN1C(=O)C1CC1 1051156327 QFYANPGGNCZUGJ-KBPBESRZSA-N 320.393 -0.272 30 20 DBED N#Cc1cncc(NC2CC(CNC(=O)[C@H]3CCNC3=O)C2)n1 1052049522 DMPZACLUECLPLE-CBINBANVSA-N 314.349 -0.209 30 20 DBED Cc1cc(=O)c(C(=O)N2CCOC3(CN(CC#N)C3)C2)c[nH]1 1053495799 STDCGCIHAHVSLZ-UHFFFAOYSA-N 302.334 -0.266 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)c1cnn(C)c1OC)CCO2 1053520116 JAJCBNLSABIJTL-UHFFFAOYSA-N 318.377 -0.021 30 20 DBED C=CCCN1CC2(CC[C@@H](CNC(=O)[C@H]3CN(C)C(=O)N3)O2)C1 1053643184 XFDFYHICUAOHGK-QWHCGFSZSA-N 322.409 -0.064 30 20 DBED C=CCN1CC2(C[C@H](NC(=O)C[C@@H]3CC(=O)NC3=O)CO2)C1 1054025658 FAJFYAOPQVHXEF-MNOVXSKESA-N 307.350 -0.815 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC[C@@](CO)(NC(=O)C(F)F)C1 1055683142 TXXIURGBMMVNQU-QMTHXVAHSA-N 318.320 -0.241 30 20 DBED C=CCOCC(=O)N[C@@]1(CO)CCCN(C(=O)[C@@H](C)C#N)C1 1055831356 LYDJYRZYWGKDEB-WFASDCNBSA-N 309.366 -0.182 30 20 DBED C#CCNC(=O)CC(=O)N[C@@]1(CO)CCCN(C(=O)C(C)C)C1 1055895855 ARCBKSLIAXVTHI-INIZCTEOSA-N 323.393 -0.748 30 20 DBED C[C@@H](C#N)C(=O)N[C@]1(CO)CCCN(C(=O)c2ncc[nH]2)C1 1056092699 CRRQHNPIBGBEHL-IINYFYTJSA-N 305.338 -0.347 30 20 DBED Cn1cc(C(=O)N2CC[C@@H](N=c3cc[nH]c(C#N)n3)C2)nc1O 1056769969 NJLLWXGCXDRUGA-SECBINFHSA-N 313.321 -0.464 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)c1cnnc(C)c1 1057194122 YIHILFCEFCLQHC-UHFFFAOYSA-N 322.365 -0.462 30 20 DBED O=C(NCCN(CCO)C(=O)C#CC1CC1)c1cccc(O)n1 1057531436 OIENLUDWIUMSOV-UHFFFAOYSA-N 317.345 -0.249 30 20 DBED CC[C@@H](NC(C)=O)C(=O)NCCN(CCO)C(=O)C#CC1CC1 1057535952 IJPBCFMADBSAIV-CQSZACIVSA-N 323.393 -0.748 30 20 DBED C#CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)C#CC1CC1 1057536174 MXFFMCIXTQGEOC-ZDUSSCGKSA-N 306.362 -0.625 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)[C@@H](F)C(F)(F)F 1057830928 XQECLPQDSQPXOF-JGVFFNPUSA-N 313.251 -0.016 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)c1cnn2c1CCC2 1057897792 UQVDDYBDZUEMTE-NSHDSACASA-N 319.365 -0.460 30 20 DBED COc1ccnc(C(=O)N(CCO)CCNC(=O)[C@H](C)C#N)c1 1058279868 PWBHENOMTHIBKO-LLVKDONJSA-N 320.349 -0.199 30 20 DBED CN1C[C@H](C(=O)N[C@H]2CCN(c3cnc(C#N)cn3)C2)NC1=O 1058504044 DYIAYSNMSMZZHT-GXSJLCMTSA-N 315.337 -0.933 30 20 DBED N#Cc1nc(=N[C@H]2CCN(C(=O)C[C@H]3COC(=O)C3)C2)cc[nH]1 1058874148 VUONVFGHUULXNT-MNOVXSKESA-N 315.333 -0.264 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1C[C@H](NC(=O)[C@H]2CCNC(=O)C2)C1 1059184857 SUJZUJNQTQPJPH-DRZSPHRISA-N 313.361 -0.040 30 20 DBED C[C@@H](C#N)C(=O)NCC[C@@H]1CCN(C(=O)Cn2cnnc2O)C1 1059506902 JXODTGMVZGPFTH-WDEREUQCSA-N 320.353 -0.502 30 20 DBED N#Cc1nccnc1N[C@H]1C[C@@H](NC(=O)[C@H]2CCC(=O)N2)C1 1059585945 HCJLVHCOVTTXCP-KXUCPTDWSA-N 300.322 -0.314 30 20 DBED C[C@@H](C#N)C(=O)NCC[C@@H]1CCN(C(=O)Cn2ncnn2)C1 1059695206 IHEJJRJHJIZHOB-WDEREUQCSA-N 305.342 -0.812 30 20 DBED N#Cc1cncc(N[C@@H]2CC[C@@H]3CN(C(=O)C(N)=O)C[C@H]32)n1 1060554647 ZZDYJGCIIUGXCA-FBIMIBRVSA-N 300.322 -0.518 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCOC[C@H]1CNC(=O)CCOC 1061171841 IENLZZXPLNBWAA-QWHCGFSZSA-N 312.366 -0.595 30 20 DBED N#Cc1cccnc1N1CC[C@@H](CNC(=O)[C@H]2CNC(=O)N2)C1 1061718070 PWMNEYUWKMRKKC-CMPLNLGQSA-N 314.349 -0.423 30 20 DBED C#CCNC(=O)CC(=O)NC1(CNC(=O)c2cc[nH]c2)CCC1 1063316168 IDXQJMHTCSFSLB-UHFFFAOYSA-N 316.361 -0.077 30 20 DBED N#Cc1nc(=NC[C@H]2CCCN2C(=O)c2nccnc2N)cc[nH]1 1063460172 NHXBSFUOJPQGKH-SNVBAGLBSA-N 324.348 -0.141 30 20 DBED C=CCOCC(=O)N1CCO[C@@H](CNC(=O)c2cn[nH]c2)C1 1064976841 QSBTWDHNFCDEPM-LBPRGKRZSA-N 308.338 -0.431 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CN(C(=O)CN(C)C2CCC2)CCO1 1065270992 IGWIUNAHIJXZGJ-GXTWGEPZSA-N 322.409 -0.026 30 20 DBED CNC(=O)C1(C(=O)N2CCO[C@@H](CNC(=O)[C@@H](C)C#N)C2)CC1 1065334502 GIRPHTOFYOSTPB-QWRGUYRKSA-N 322.365 -0.984 30 20 DBED Cn1nncc1C(=O)N1C[C@H]2CC[C@H]1CN2c1nccnc1C#N 1068040572 LGXQXYQZKYMMHJ-MNOVXSKESA-N 324.348 -0.030 30 20 DBED Cn1nnc(C(=O)N2C[C@H]3CC[C@H]2CN3c2ncccc2C#N)n1 1068059371 OUJHTBYUVHEJIX-NEPJUHHUSA-N 324.348 -0.030 30 20 DBED C=CCCN1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)C(N)=O)n1 1070605120 BQZZUIAVPMFRBT-NWDGAFQWSA-N 321.381 -0.028 30 20 DBED Cc1nc(CC(=O)N2C[C@H]3C[C@@H]4CN(CC#N)C[C@]3(C2)O4)n[nH]1 1070798398 QMHNYDLHENINQL-LALPHHSUSA-N 316.365 -0.519 30 20 DBED Cc1c(C(=O)N2C[C@H](C)O[C@@]3(CCN(CC#N)C3)C2)nnn1C 1071149917 UAFKXAOPRRBXAR-XHDPSFHLSA-N 318.381 -0.048 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CCCN(C(=O)c2cnon2)C1 1071158347 KQKDMZFVUHFYCK-WDEREUQCSA-N 306.322 -0.171 30 20 DBED C=CCOCC(=O)N1C[C@@H](NC(=O)c2cnnn2C)[C@H](C)C1 1071809455 VBLLXWMHCOVPNP-GHMZBOCLSA-N 307.354 -0.406 30 20 DBED C=CCOCC(=O)N1C[C@H](C)[C@@H](NC(=O)CC(=O)N(C)C)C1 1071812413 RXSQLNCDOQDSDW-RYUDHWBXSA-N 311.382 -0.370 30 20 DBED C[C@H](C#N)C(=O)N1CCC(C)(NC(=O)Cn2cnnc2O)CC1 1073229192 SFOSQVQVAGHOGI-SNVBAGLBSA-N 320.353 -0.359 30 20 DBED C#CCOCCC(=O)N1CC[C@H](NC(=O)CC(N)=O)C(C)(C)C1 1073354983 CZLMMSQKBBVKRC-LBPRGKRZSA-N 323.393 -0.355 30 20 DBED Cn1cc(C(=O)N2CC3(CCN(CC#N)C3)C2)c(O)nc1=O 1073425470 WQOVVISJNCWGLA-UHFFFAOYSA-N 303.322 -0.843 30 20 DBED C#CCOCCC(=O)N1CCN(C2CN(C(=O)COC)C2)CC1 1073572576 GXMGKZAWZKYSQQ-UHFFFAOYSA-N 323.393 -0.972 30 20 DBED COCCn1nccc1C(=O)NC[C@@H]1CN(CC#N)CCCO1 1073651831 HYWBRYMBVHIZNV-CYBMUJFWSA-N 321.381 -0.126 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(C(=O)c2cnnn2C)C[C@H]1C 1073819694 HYLNAURGBGIQAO-VXGBXAGGSA-N 321.381 -0.016 30 20 DBED N#CCN1CCCO[C@@H](CNC(=O)C2CCN(C(N)=O)CC2)C1 1073886299 LPIPYDLQXLMJFL-ZDUSSCGKSA-N 323.397 -0.492 30 20 DBED C=CCOCC(=O)N1CC[C@@H](NC(=O)c2cnnn2C)[C@@H](C)C1 1073921910 SWZMATGEMPIBCD-NWDGAFQWSA-N 321.381 -0.016 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)c3ccc(C(N)=O)o3)C[C@H]21 1074291680 JAUVQEZZMNPPKS-NEPJUHHUSA-N 317.345 -0.073 30 20 DBED C=CCn1cc(C(=O)N2CCC(O)(CNC(C)=O)CC2)nn1 1074592510 SSUYWHJWVASQLM-UHFFFAOYSA-N 307.354 -0.433 30 20 DBED C#CCOCCC(=O)N[C@@H](C)CCNC(=O)[C@@H](C)n1cncn1 1076203674 YOVMSPJTVKXFMX-QWHCGFSZSA-N 321.381 -0.110 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)c2ccn(CCN(C)C)n2)C1 1077014345 RHPGNVQUQZIFCG-ZIAGYGMSSA-N 307.398 -0.594 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2cccc3c2NC(=O)CO3)C1 1077147204 HBLVJQXHNKIURK-VXGBXAGGSA-N 315.329 -0.574 30 20 DBED C=CCCn1cc(C(=O)N[C@@H]2CN(C[C@@H](C)O)C[C@H]2O)nn1 1077812402 FASSNAQEGBUDEW-NQBHXWOUSA-N 309.370 -0.990 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)C(=O)N2CCC[C@@H]2CC)C1 1077962763 SLTONYZEIHLTEG-BFHYXJOUSA-N 307.394 -0.428 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCCCC(=O)N2)C1 1078082183 FZDMYUOCKZCUAK-MGPQQGTHSA-N 307.394 -0.380 30 20 DBED CC#CCN1C[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)[C@H](C)C1 1079805227 JPCPKMDUOYDHHO-CHWSQXEVSA-N 318.377 -0.993 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1NC(=O)Cn1[nH]cc2c(=O)ncnc1-2 1080636646 HZQHIQNLHUSAJN-MWLCHTKSSA-N 315.337 -0.969 30 20 DBED C#CCCN1C[C@@H](NC(=O)[C@H]2CN(C(C)=O)CCO2)[C@H](C)C1 1080873963 NFCDIAJUFLANOI-BPLDGKMQSA-N 307.394 -0.307 30 20 DBED C=C1CCC(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)CC(N)=O)C2)CC1 1081367910 IHRWJYLVEFFABG-QWHCGFSZSA-N 323.393 -0.456 30 20 DBED C=CC(C)(C)CC(=O)N1C[C@H](O)[C@H](CNC(=O)CC(N)=O)C1 1081369133 WAMXLFCPWCYSDD-MNOVXSKESA-N 311.382 -0.600 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)c2cn[nH]c2)C[C@H]1O 1081463952 UMSIRHYLIWMVLW-QWHCGFSZSA-N 304.350 -0.382 30 20 DBED C=CCOCC(=O)N1C[C@H](CNC(=O)c2ccnnc2)[C@@H](O)C1 1081797548 NCKYJYMAUYAFKR-STQMWFEESA-N 320.349 -0.772 30 20 DBED CC#CCN1C[C@@H](NC(=O)c2nc(C)c(C)[nH]c2=O)[C@H](OC)C1 1081841732 JPGRKRCLPGXHDH-CHWSQXEVSA-N 318.377 -0.161 30 20 DBED C#CCCN1C[C@@H](NC(=O)c2ccnc(OC)n2)[C@H](OC)C1 1081932421 DQSPVYSZDOVVDI-CHWSQXEVSA-N 304.350 -0.063 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)C[C@H]1COC(=O)C1 1083050859 FPLMRJGOKVAIHE-HZSPNIEDSA-N 306.362 -0.126 30 20 DBED C=C(C)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H](C)S(C)(=O)=O 1083120728 ASAVOFSBDUZWMP-RWMBFGLXSA-N 316.423 -0.093 30 20 DBED CC(C)Cn1cccc(C(=O)N[C@@H]2CN(CC#N)C[C@@H]2O)c1=O 1083835587 JIOQJXBYXJRYDL-KGLIPLIRSA-N 318.377 -0.197 30 20 DBED C=C(C)CN1CC[C@@H]2CN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C[C@@H]2C1 1088122406 AFQURWSIHZDPIM-AGIUHOORSA-N 320.393 -0.059 30 20 DBED C[C@@H](C[C@H](C)Nc1nccnc1C#N)NC(=O)Cn1cnnn1 1089213723 CBEVUULOKHASMR-UWVGGRQHSA-N 315.341 -0.270 30 20 DBED COC[C@H](C)CC(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1O 1090476223 XMQMIYQFSVCVPN-RAIGVLPGSA-N 319.365 -0.313 30 20 DBED CN(C)c1cc(C(=O)N[C@H]2CCN(CC#N)C[C@H]2O)ccn1 1090614603 APOYZPZDMZWQMN-QWHCGFSZSA-N 303.366 -0.164 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2cnc3cccnn23)[C@@H](O)C1 1090631826 WPKLWLDOHIFSGY-PWSUYJOCSA-N 300.322 -0.582 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1C 1090652542 VSYIRHIOFPCYCC-MWLCHTKSSA-N 302.338 -0.575 30 20 DBED COCC(C)(C)C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@@H]1O 1091161748 LQSHXEUQUXWOSF-NEPJUHHUSA-N 319.365 -0.313 30 20 DBED CCc1nc(C#N)cc(NCCNC(=O)[C@@H]2COCCN2C)n1 1093554713 OACWAEYCKQYEJD-LBPRGKRZSA-N 318.381 -0.231 30 20 DBED C#CCO[C@H](C)C(=O)NCCNc1cc(C)nc2ncnn12 1093878407 OOVBTBGJGFKIHP-LLVKDONJSA-N 302.338 -0.001 30 20 DBED N#Cc1ccc(NCCNC(=O)C[C@@H]2CCCC(=O)N2)nn1 1094259722 UPHSTFOLLLQHRO-JTQLQIEISA-N 302.338 -0.065 30 20 DBED C=CCN1CC(n2cc(CNC(=O)c3c[nH]c(=O)cn3)nn2)C1 1094313985 KPOHESAXRXYTTQ-UHFFFAOYSA-N 315.337 -0.666 30 20 DBED CNC(=O)NCCC(=O)NCCCNc1cnc(C#N)cn1 1094393324 RCKDSHGXNICGQS-UHFFFAOYSA-N 305.342 -0.414 30 20 DBED Cc1nc(C(=O)N[C@@H]2CC(=O)N(C3CN(CC#N)C3)C2)co1 1094730428 BGUFGCPFPAMMEM-SNVBAGLBSA-N 303.322 -0.479 30 20 DBED C#CCCN1CC(N2C[C@H](NC(=O)c3ncccn3)CC2=O)C1 1094803167 HYEHNLQVOPYCFI-GFCCVEGCSA-N 313.361 -0.485 30 20 DBED C#CCN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cn(C)c(=O)n1C)C2 1095063667 AUZXJCHIDMFAMZ-AVGNSLFASA-N 302.378 -0.060 30 20 DBED COC[C@@H](OC)C(=O)NCCCN(C)c1cncc(C#N)n1 1095734028 UFTLHBCNORGMQA-GFCCVEGCSA-N 307.354 -0.048 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3[C@@H](C)C(N)=O)nn1 1097999145 IYFXMAJJTHOCLN-WGBDABJCSA-N 318.381 -0.327 30 20 DBED COCC(=O)N(C)CC(=O)NC[C@@H](C)Nc1ccc(C#N)nc1 1098329972 UCJOLWLBYRUDKY-LLVKDONJSA-N 319.365 -0.025 30 20 DBED CCC(=O)NCC(=O)N1CC[C@H](CN=c2cc[nH]c(C#N)n2)C1 1098510588 QASHFIGJTCUGRP-LLVKDONJSA-N 316.365 -0.443 30 20 DBED C[C@H](NC(N)=O)C(=O)N1CC[C@@H](CNc2cnc(C#N)cn2)C1 1098522435 YQLFFFXLZPOVQB-UWVGGRQHSA-N 317.353 -0.335 30 20 DBED C=CCNCc1cn([C@@H]2CCN(C(=O)c3nnn(C)n3)C2)nn1 1098703307 NXYMFCMHWJDZEU-LLVKDONJSA-N 317.357 -0.836 30 20 DBED C[C@H](CCNC(=O)[C@@H]1CN(C)C(=O)N1)N=c1cc[nH]c(C#N)n1 1099617138 QUDNOIZRJWRICU-ZJUUUORDSA-N 317.353 -0.900 30 20 DBED C=C(Cl)CN1CC[C@@H](NC(=O)CN(C)C(C)=O)[C@@H](O)C1 1099690623 RROWOXJHXRNEIH-NEPJUHHUSA-N 303.790 -0.231 30 20 DBED C#CCCCC(=O)N[C@@H]1CCN(CC(=O)NCC#C)C[C@@H]1O 1099804049 HDZGSJHFKVKIMD-KGLIPLIRSA-N 305.378 -0.909 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCN(CC#CCOC)C[C@H]1O 1099832554 JCTHGPGZBHUAEK-HUUCEWRRSA-N 308.378 -0.773 30 20 DBED Cc1cnc(COCC(=O)N[C@@H]2CCN(CC#N)C[C@H]2O)o1 1099914284 SQUDFAUFRMLVPH-VXGBXAGGSA-N 308.338 -0.425 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)c2cn(C)c(O)n2)[C@H](O)C1 1099994213 MQSUBFPUOGKHPG-WCQYABFASA-N 324.381 -0.507 30 20 DBED C#CCN1CC[C@@H](NC(=O)CS(=O)(=O)CCCC)[C@H](O)C1 1100129872 UJDYDSFWJGJYSR-CHWSQXEVSA-N 316.423 -0.614 30 20 DBED CN(CCNC(=O)CC1CS(=O)(=O)C1)c1ccncc1C#N 1100219816 OVTUACPQDHEQPV-UHFFFAOYSA-N 322.390 -0.060 30 20 DBED C=CCCNC1CC(CNC(=O)CCNS(C)(=O)=O)C1 1100379052 CGMCCZXBHBLWSD-UHFFFAOYSA-N 303.428 -0.014 30 20 DBED C=CCNC(=O)CNC1CC(CNC(=O)Cc2nc[nH]n2)C1 1100852159 ZTCAMCODQSXFCP-UHFFFAOYSA-N 306.370 -0.866 30 20 DBED C#CCNC(=O)CC(=O)N(C)CCNc1ccc(C#N)nn1 1101551052 PXODIGQGTJPNOJ-UHFFFAOYSA-N 300.322 -0.642 30 20 DBED C=CCN1CC2(C[C@H](NC(=O)CCNC(N)=O)c3nccn32)C1 1101652336 DFQQBQPNHFLHMI-NSHDSACASA-N 318.381 -0.301 30 20 DBED N#CCNCc1cn(C2CN(C(=O)[C@H]3C[C@H]4CC[C@H]3O4)C2)nn1 1105194645 BVONSAWBVXRALN-HZSPNIEDSA-N 316.365 -0.158 30 20 DBED C=CCNCc1cn(C2CN(C(=O)C[C@H](C)NC(N)=O)C2)nn1 1105237997 GMOHFWHZCFHAOE-JTQLQIEISA-N 321.385 -0.616 30 20 DBED CN1CC[C@H](C(=O)N(C)CCN(C)c2nccnc2C#N)C1=O 1105525420 VBBGMLZSOPZRFD-NSHDSACASA-N 316.365 -0.279 30 20 DBED C#CCNC(=O)CN[C@@H]1C[C@]2(C[C@H]1O)CN(C(C)=O)[C@H]2C(C)C 1105581551 JVQYDWRUBKGZCA-JHNDHUHGSA-N 321.421 -0.278 30 20 DBED CO[C@H](C)CC(=O)NC[C@@H](O)CNc1nc(C)cc(C#N)n1 1105782495 MUIQHGAUVRHKHH-ZYHUDNBSSA-N 307.354 -0.029 30 20 DBED Cc1ccn(CC(=O)NC[C@@H](O)CNc2nccnc2C#N)n1 1106110731 XLNYRNGQDHZQGM-LLVKDONJSA-N 315.337 -0.558 30 20 DBED CN1C[C@@H](C(=O)NC[C@@H](O)CNc2ccc(C#N)cn2)CC1=O 1106145202 KEFIMBKSILYXMZ-RYUDHWBXSA-N 317.349 -0.679 30 20 DBED N#Cc1nccnc1NC/C=C\CNC(=O)CNC(=O)C1CC1 1107062067 ZOJKDEWWYVEXKE-UPHRSURJSA-N 314.349 -0.041 30 20 DBED Cc1cc(=NC/C=C\CNC(=O)c2nnn(C)n2)c(C#N)c[nH]1 1107451119 LQLPGRAVXFEWMZ-ARJAWSKDSA-N 312.337 -0.395 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)CCc1cnn(C)n1 1108113093 LDWWGWHPFFMMRL-SNVBAGLBSA-N 314.353 -0.552 30 20 DBED C[C@@H](CNc1cncc(C#N)n1)NC(=O)CN1C(=O)CCC1=O 1108377585 ZWROZZLZYMRNKF-VIFPVBQESA-N 316.321 -0.586 30 20 DBED C[C@H](CN(C)c1ccncc1C#N)NC(=O)[C@@H]1CNC(=O)N1 1109210578 CQTUZASOWKRENY-KOLCDFICSA-N 302.338 -0.424 30 20 DBED N#Cc1cncc(NC[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C2CC2)n1 1109978798 XWJXUISISPQDGC-GRYCIOLGSA-N 314.349 -0.224 30 20 DBED Cn1cnc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCC#N)c1 1110443607 MLVXLVSQTLKQDG-WZRBSPASSA-N 316.365 -0.605 30 20 DBED COC[C@H](C)C(=O)N(CCO)CCNc1cncc(C#N)n1 1111437887 AAZZGXJROLFABZ-NSHDSACASA-N 307.354 -0.136 30 20 DBED N#Cc1ccc(NCCN(CCO)C(=O)CCCC(N)=O)nc1 1111485552 ADDAJKBZRANWEI-UHFFFAOYSA-N 319.365 -0.158 30 20 DBED N#Cc1nccnc1NCCN(CCO)C(=O)Cn1ccnc1 1111486749 DKWZTQKPDFUDHO-UHFFFAOYSA-N 315.337 -0.522 30 20 DBED CN(C)C(=O)CC(=O)N(CCO)CCNc1ccc(C#N)cn1 1111572820 GGWSVNUOUTVBHL-UHFFFAOYSA-N 319.365 -0.336 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)c2cncnc2C)CC1 1112645405 UAHQLYFIIDUVNT-CYBMUJFWSA-N 315.377 -0.319 30 20 DBED C=CCNC(=O)NC(=O)CN1CCN(C(=O)COCC=C)CC1 1112708797 YFMZIAPBOHEEQM-UHFFFAOYSA-N 324.381 -0.655 30 20 DBED C=CCn1cccc1C(=O)N1CCN(CC(=O)NC(N)=O)CC1 1112967331 LJWWFXCZDFKGJW-UHFFFAOYSA-N 319.365 -0.373 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCN(C[C@H](O)COC)CC1 1112977024 JAODQNAMDIEMIA-GJZGRUSLSA-N 309.410 -0.765 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)Cc2cncs2)CC1 1112990018 VRWRBHWEJFYXGZ-GFCCVEGCSA-N 320.418 -0.032 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCCNC1=O)N(C)c1cnc(C#N)cn1 1113744921 RWYOTGNGKRVQNO-JQWIXIFHSA-N 316.365 -0.185 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3cn(C)nc3C)[C@H]2C1 1114054657 OZHLFRLSTFQPOP-STQMWFEESA-N 315.377 -0.862 30 20 DBED N#CCNC(=O)CN1C[C@H]2C(NC(=O)[C@@H]3CCCCO3)[C@@H]2C1 1114140232 BMZQEMMSEAMOCY-UTUOFQBUSA-N 306.366 -0.758 30 20 DBED C=C[C@](C)(O)CC(=O)NC1[C@H]2CN(CCN3CCCC3=O)C[C@H]12 1114189230 LCOWMHJTGQZKPD-DCGLDWPTSA-N 321.421 -0.018 30 20 DBED C=C(Cl)CN1C[C@H]2[C@H](NC(=O)CNS(=O)(=O)CC)[C@H]2C1 1114363262 AHDCCWAWSGSMMD-IAZYJMLFSA-N 321.830 -0.275 30 20 DBED C#CCCN1C[C@H]2[C@H](NC(=O)CCNC(=O)[C@@H]3CCCO3)[C@H]2C1 1115349529 BLCYEAOFCLAQCS-KNCOVGOOSA-N 319.405 -0.259 30 20 DBED COC(=O)NCC(=O)N(C)C[C@H](C)Nc1cnc(C#N)cn1 1115620605 GXUOGTIXEQVBCB-VIFPVBQESA-N 306.326 -0.037 30 20 DBED N#C[C@]1(F)CCN(C(=O)C(=O)N[C@@H]2C[C@@H]3CCCCN3C2=O)C1 1118104221 VYCROPNBKZWOQH-FIXISWKDSA-N 322.340 -0.280 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)C(=O)N[C@H]2CCc3c[nH]nc3C2)C1 1118151312 GWLXTABECGITCW-XHDPSFHLSA-N 317.349 -0.740 30 20 DBED COCC#CC(=O)N1CCN(S(=O)(=O)CCCOC)CC1 1118744965 UTUCGOMZQGLQRH-UHFFFAOYSA-N 318.395 -0.853 30 20 DBED CCCN(C)CC(=O)NC[C@H](CO)Nc1nc(C)cc(C#N)n1 1121887868 LYNUSQLTOLVVKX-CYBMUJFWSA-N 320.397 -0.113 30 20 DBED CC(=O)NCC(=O)N1CC[C@H](N=c2cc[nH]c(C#N)n2)[C@H]1C 1122903441 MSAWMOBNCOULBN-KOLCDFICSA-N 302.338 -0.692 30 20 DBED C#CCOCCN(C)C(=O)[C@@H]1CCCN(S(N)(=O)=O)C1 1124133647 ZXQKFSYOFSIOIX-LLVKDONJSA-N 303.384 -0.990 30 20 DBED CN(C[C@H](O)CNc1ccc(C#N)nn1)C(=O)c1ccn(C)n1 1124351722 DIJOKWKFHDXITQ-LLVKDONJSA-N 315.337 -0.373 30 20 DBED CC(C)NC(=O)NCCNCCNC(=O)c1c[nH]c(C#N)c1 1125995061 RPGRZYVULDIXND-UHFFFAOYSA-N 306.370 -0.087 30 20 DBED N#CCNCc1nnc2n1CC[C@H](NC(=O)[C@@H]1CCCO1)CC2 1127951299 WCDYNWNUUDKRLZ-NEPJUHHUSA-N 318.381 -0.109 30 20 DBED C=C(Br)CNCCNC(=O)Cn1ncn(C)c1=O 1130590908 LYGSRSYEBQRHOW-UHFFFAOYSA-N 318.175 -0.804 30 20 DBED C=CCOCCNCCNC(=O)c1cnc2c(c1)NC(=O)CO2 1130889717 WTXLDDHQYYZFGP-UHFFFAOYSA-N 320.349 -0.066 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2C[C@@H]3CN(CC#N)C[C@]2(C1)O3 1131230157 GNALZNVXDQKERK-TTZDDIAXSA-N 303.362 -0.150 30 20 DBED C=C(C)CCNCCNC(=O)c1nc(C)n(-c2nc[nH]n2)n1 1132109657 JTJHJTYXRBHOBR-UHFFFAOYSA-N 304.358 -0.021 30 20 DBED C=CCN1C[C@H](NC(=O)CNS(=O)(=O)NC)CC[C@H]1C 1132210254 FNDBSVHULOFMNJ-GHMZBOCLSA-N 304.416 -0.805 30 20 DBED CC(C)N(C)CC(=O)N[C@@H]1CC[C@@H](C)N(CC(=O)NCC#N)C1 1132522221 MXLZBLHVSUBVAZ-ZIAGYGMSSA-N 323.441 -0.065 30 20 DBED C[C@@H]1CCN(C(=O)c2cnon2)C[C@@H]1CNCC(=O)NCC#N 1133181970 LVQMGDFLIOTDHW-MNOVXSKESA-N 320.353 -0.603 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)c1ccc(O)nn1 1133614267 DKFXLRDAWQPNCA-WDEREUQCSA-N 319.365 -0.582 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)c1cn(C)c(O)n1 1135386306 FDWFJJZWMFDTGO-QWRGUYRKSA-N 321.381 -0.638 30 20 DBED C#CCOc1ncccc1C(=O)NCCNCC(=O)NC1CC1 1148302245 HWOACLRVAIQHKW-UHFFFAOYSA-N 316.361 -0.308 30 20 DBED C#CCNC(=O)CN1CCCO[C@@H](CNC(=O)/C=C\C2CC2)C1 1149520570 GKOUYMSGUNEUIY-XHPSBEMXSA-N 319.405 -0.091 30 20 DBED C[C@@H](CN1CCOCC1)C(=O)NC[C@@H]1CN(CC#N)CCCO1 1150725358 ULJKGFWWCIXVCV-LSDHHAIUSA-N 324.425 -0.315 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)CNC(=O)OC 1155143367 HUPARIXJGCQAPR-JTQLQIEISA-N 300.359 -0.871 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)C[C@@H]1CCC(=O)NC1 1159768710 BYGAJNGVIMBYSF-STQMWFEESA-N 322.409 -0.864 30 20 DBED COCC1(CNC(=O)C[C@H]2CCNC2=O)CCN(CC#N)CC1 1162301205 WXFFMIPXPYYREI-CYBMUJFWSA-N 322.409 -0.119 30 20 DBED N#CCNC(=O)CNCC1(CCNC(=O)c2cnns2)CC1 1163600392 VRWOAHPJQPKMEZ-UHFFFAOYSA-N 322.394 -0.332 30 20 DBED C#CCOCCC(=O)NCCC1(CN[C@H]2CCNC2=O)CC1 1164504936 NJRDPKIAPVRVEB-ZDUSSCGKSA-N 307.394 -0.209 30 20 DBED C#CCN1CCC(C(=O)NCCCNCC(=O)NCCC)CC1 1176926224 JUBVPAPLZPXBFW-UHFFFAOYSA-N 322.453 -0.046 30 20 DBED N#CCSCC(=O)N1CC[C@H]2OCCN(CC(N)=O)[C@H]2C1 1176929772 MEIZFLYCXKXRND-WDEREUQCSA-N 312.395 -0.970 30 20 DBED C#CCC1(C(=O)N2CC[C@@H](N[C@@H]3CCNC3=O)C2)CCOCC1 1183200544 RSZPHIJTOGCMBF-ZIAGYGMSSA-N 319.405 -0.115 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CCCNC2=O)C1 1183450349 PWIXAMMABDWBGD-VXGBXAGGSA-N 308.382 -0.995 30 20 DBED C#CCNC[C@H]1CCN(C(=O)c2nccnc2C(N)=O)C[C@H]1C 1185651690 IRIBBPLZZLLURZ-VXGBXAGGSA-N 315.377 -0.104 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)COC[C@@H]2CCCO2)C1 1188438257 LCUYEOQXXJCMQD-KGLIPLIRSA-N 323.393 -0.878 30 20 DBED CC[C@@H](C)OCC(=O)N1CC[C@H](N(C)CC(=O)NCC#N)C1 1189718065 VQGFOMLRANCTQA-OLZOCXBDSA-N 310.398 -0.026 30 20 DBED CNC(=O)CCCC(=O)N1CC[C@@H](N(C)CC(=O)NCC#N)C1 1189785800 BSWNYPNSUSRRHA-GFCCVEGCSA-N 323.397 -0.925 30 20 DBED Cc1cc(NC(=O)CN2C[C@@H](O)[C@H](NC(=O)[C@H](C)C#N)C2)on1 1191853519 DIPDLXIMSNTGEZ-FBIMIBRVSA-N 321.337 -0.758 30 20 DBED Cc1nnsc1CN1C[C@@H](O)[C@H](NC(=O)C#CC2CC2)C1 1192821719 OTWKGWILHKFCJR-VXGBXAGGSA-N 306.391 -0.079 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2ncc(CC)o2)C[C@H]1O 1192886599 UDLZLWPOQQCRGL-ZIAGYGMSSA-N 321.377 -0.062 30 20 DBED C=C(C)C[C@H](C)C(=O)N[C@@H]1CN(Cc2nc(O)n[nH]2)C[C@H]1O 1195532271 NRZNIHPEUJXQAI-HBNTYKKESA-N 309.370 -0.226 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2ncccn2)C[C@H]1O 1199314976 UUIFMURESJKLDL-YNEHKIRRSA-N 306.366 -0.271 30 20 DBED C=CCOCCNC1CCN(C(=O)C2CS(=O)(=O)C2)CC1 1200730066 MOJFIQYTSQKKBM-UHFFFAOYSA-N 316.423 -0.186 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 1201053476 PZHUVTQQBWRZNU-MRXNPFEDSA-N 320.437 -0.343 30 20 DBED CC#CCNC[C@H]1CN(C(=O)[C@@H]2CCN(C)C2=O)CCCO1 1201204026 GLYQKKIJSPYOLZ-UONOGXRCSA-N 307.394 -0.305 30 20 DBED N#CCNC[C@H]1CN(C(=O)C(=O)NCC(F)(F)F)CCCO1 1201740507 KAIHDFRMKSNUSK-VIFPVBQESA-N 322.287 -0.604 30 20 DBED COc1nc(C(=O)N2CCC(NCC(=O)NCC#N)CC2)co1 1201839096 JRVFEUYLXNHASE-UHFFFAOYSA-N 321.337 -0.483 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@@H](NC(=O)COCC=C)C12CCC2 1202634767 UZMJIPLHQZAFDU-UONOGXRCSA-N 319.405 -0.045 30 20 DBED C#CCNCC1CCN(C(=O)[C@@H](C)N2C(=O)CCC2=O)CC1 1205416150 ZYPBMXHKZMMJDL-GFCCVEGCSA-N 305.378 -0.015 30 20 DBED Cc1n[nH]cc1C(=O)N1CCC(CNCC(=O)NCC#N)CC1 1205825722 HLKHJDAENNMNJR-UHFFFAOYSA-N 318.381 -0.200 30 20 DBED CCS(=O)(=O)NCCN1C[C@@H](NC(=O)[C@H](C)C#N)[C@H](C)C1 1206659848 SLUDHUJXZRJACQ-IJLUTSLNSA-N 316.427 -0.478 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)Cn2cncn2)C1 1210976036 SMYSJLPFBGPAJJ-GFCCVEGCSA-N 306.370 -0.839 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)C[C@@H]1CCCOC1 1211059509 DZPXNUXMSUDBDA-HZSPNIEDSA-N 322.409 -0.121 30 20 DBED COCC#CCN1C[C@@H](NC(=O)[C@H](C)N2CCOCC2)[C@H](C)C1 1211484930 YHDPOBQBFLFTLD-OWCLPIDISA-N 323.437 -0.207 30 20 DBED C=C(C)CN1C[C@@H](NC(=O)CCN2C(=O)CCC2=O)[C@H](OC)C1 1213141611 XPHQXFLSABQWFH-CHWSQXEVSA-N 323.393 -0.083 30 20 DBED CC#CCCCC(=O)N[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1OC 1213303482 NLALUJMTIYXYSQ-VXGBXAGGSA-N 324.381 -0.810 30 20 DBED C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1NCC(=O)NCC#N 1214407354 SMNWLXJDUSWRML-ZWNOBZJWSA-N 314.349 -0.424 30 20 DBED C=CCN[C@@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)CC)C[C@H]1C 1214683630 FLZGBOHZXYEKJR-IJLUTSLNSA-N 303.428 -0.063 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)c2[nH]ccc2C)C1 1219543520 MQCSUHUZDLZUKH-XQQFMLRXSA-N 318.377 -0.764 30 20 DBED C=CC(C)(C)CC(=O)N[C@@H]1CN([C@@H]2CCN(C)C2=O)C[C@@H]1O 1219708010 LOQGDWPXUATSOS-UPJWGTAASA-N 309.410 -0.019 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(CCCOCC)C[C@@H]1O 1219821162 CNXQFPCQHYIWOZ-PMPSAXMXSA-N 323.437 -0.328 30 20 DBED N#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@]23CCCC[C@H]2C3)C1 1220308488 DRWIXSGRLGGYAK-ZWUHOBOKSA-N 320.393 -0.632 30 20 DBED CCCOCC(=O)N1CC[C@H]2CCN(CC(=O)NCC#N)[C@H]2C1 1222388299 OZMJFZRLLCFYEK-KGLIPLIRSA-N 322.409 -0.024 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)c2cn(C)cn2)CC1 1222797373 LJATVPZTPQALJD-UHFFFAOYSA-N 317.393 -0.389 30 20 DBED C#CCNC(=O)CC(=O)NCC1CCN([C@H](C)C(=O)NC)CC1 1222906801 AQRAYMKWNGKQPY-GFCCVEGCSA-N 322.409 -0.911 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)[C@]2(C)CNC(=O)C2)CC1 1228402790 SQECNQJKKGSSMX-INIZCTEOSA-N 322.409 -0.605 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cnn(C)n1 1229100822 IWPSFGMQAGYITM-VXGBXAGGSA-N 320.397 -0.252 30 20 DBED C=CCOCC(=O)N(C)C[C@H]1CCN1C[C@@H](O)Cn1cccn1 1231169396 HAQPSVXPJHVGKU-HUUCEWRRSA-N 322.409 -0.021 30 20 DBED C=C[C@@H](COC)NC(=O)c1cc(N2CCNC(=O)C2)ccn1 1255580640 JRHLTAFIMSPTFH-NSHDSACASA-N 304.350 -0.051 30 20 DBED C=CCn1cc(CNC(=O)C(=O)NC[C@@]2(C)CCCO2)nn1 1261446767 ILBYFBKYAZCQSU-CQSZACIVSA-N 307.354 -0.234 30 20 DBED COC[C@@](C)(C#N)NC(=O)c1cc(S(N)(=O)=O)c(C)o1 1319140818 KAYBQMMPIHITCH-LLVKDONJSA-N 301.324 -0.106 30 20 DBED C[C@H](OC(=O)CC[C@H]1NC(=O)NC1=O)C(=O)NC1(C#N)CCC1 1321741580 PQVYVLXLWMYPST-DTWKUNHWSA-N 322.321 -0.531 30 20 DBED C#CCSCCNC(=O)C(=O)N[C@H]1CCOC[C@@H]1OCC 1323277454 IPSNTUVPPOTSNX-RYUDHWBXSA-N 314.407 -0.221 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N[C@@H]1C[C@H](OCC)[C@H]1OC 1324457874 VOTQRQOIBZIPGW-RDBSUJKOSA-N 306.362 -0.220 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CCC(C)(CO)CC2)nn1 1325986267 IBRGRVOQZBMXFE-UHFFFAOYSA-N 321.381 -0.299 30 20 DBED Cc1ncc(CCNC(=O)C(=O)N2CCO[C@@H](C#N)C2)s1 1327080335 HTIQWORDNJKPCA-JTQLQIEISA-N 308.363 -0.139 30 20 DBED O=C(Cc1csc(-c2nc[nH]n2)n1)N[C@@H]1CCCN(O)C1=O 1327637535 DYEDOWGZBZLLOC-MRVPVSSYSA-N 322.350 -0.033 30 20 DBED N#CCC1(CNC(=O)C(=O)N[C@H]2CC(=O)N(C3CC3)C2)CC1 1329042945 ZVCGMKINIMFZFY-JTQLQIEISA-N 304.350 -0.324 30 20 DBED COC(=O)CN(CC#N)C(=O)C1CCN(S(C)(=O)=O)CC1 1329533906 SNIGZTMCQFTQIM-UHFFFAOYSA-N 317.367 -0.817 30 20 DBED C#CCOCCNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 1329999973 DROFWHBSJWTRBI-ZIAGYGMSSA-N 307.394 -0.115 30 20 DBED COC(=O)N1CC(NC(=O)C(=O)N2CCC[C@@H](CC#N)C2)C1 1330984274 VXFYUROBILRPLZ-JTQLQIEISA-N 308.338 -0.295 30 20 DBED Cc1c([C@H](C)NC(=O)C(=O)N2CC[C@](O)(CC#N)C2)cnn1C 1332204233 URWBLTJKKLOEFJ-ZUZCIYMTSA-N 319.365 -0.217 30 20 DBED C#CCOCCn1nnnc1N1CC[C@@H](C(=O)OC)[C@@H](C)C1 1334393464 QSBXTDLRQBNRKN-NWDGAFQWSA-N 307.354 -0.042 30 20 DBED C#CCSCCNC(=O)C(=O)N[C@@H]1CCCS(=O)(=O)C1 1342120669 KLMLOEXRGACCQR-SNVBAGLBSA-N 318.420 -0.838 30 20 DBED C[C@@H]1COCCN1CCNC(=O)C(=O)NCC1(CC#N)CC1 1347566882 YHQCRXPUNQCRAW-GFCCVEGCSA-N 308.382 -0.367 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC(C(=O)O)([S@](C)=O)CC1 1354051113 LRZABSGJZZNWLR-FVINQWEUSA-N 301.364 -0.151 30 20 DBED CC[C@]1(C)COCCN1C(=O)Cn1cc(C#N)c(O)nc1=O 1362286813 QRPSZWXZGBAXSI-CQSZACIVSA-N 306.322 -0.152 30 20 DBED N#Cc1ccnc(C(=O)N2CCS(=O)(=O)[C@@H]3COCC[C@@H]32)c1 1362537479 TZFDCBRISAMPTP-QWHCGFSZSA-N 321.358 -0.019 30 20 DBED COc1cc(C(N)=O)ccc1NC(=O)Cn1cnc(C#N)n1 1362550187 OKRCUVCBAYEHMU-UHFFFAOYSA-N 300.278 -0.104 30 20 DBED N#Cc1ncn(CC(=O)N2CC[C@](C(N)=O)(c3ccccc3)C2)n1 1362755297 BRGMGUOLIFWQMY-MRXNPFEDSA-N 324.344 -0.195 30 20 DBED Cc1onc(CC(=O)N2CCOC[C@@H]2c2nn[nH]n2)c1C#N 1363115595 CMURVGUIEOBJKY-SNVBAGLBSA-N 303.282 -0.490 30 20 DBED CCc1ncc(CNC(=O)CCn2cc(C#N)c(O)nc2=O)[nH]1 1363628367 HCXIGEJRLSMEDO-UHFFFAOYSA-N 316.321 -0.187 30 20 DBED N#Cc1ccc(CNC(=O)NC[C@@]2(O)CCS(=O)(=O)C2)cc1 1364216636 OMRDQTSTJLAYMJ-AWEZNQCLSA-N 323.374 -0.093 30 20 DBED CC(=O)NC1CCC(Nc2[nH]c(=O)n(C)c(=O)c2C#N)CC1 1364564189 ZQUCKHSMCRVNRS-UHFFFAOYSA-N 305.338 -0.196 30 20 DBED CC(=O)N1CCC(NC(=O)Cn2cncc(C#N)c2=O)CC1 1365261016 XNECPICOQGDFKF-UHFFFAOYSA-N 303.322 -0.758 30 20 DBED CCNC(=O)CN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C#N)c[nH]1 1366995128 RUVUNQSFUNPGPZ-RYUDHWBXSA-N 301.350 -0.079 30 20 DBED C=C(Br)CNC[C@@H](O)CNC(=O)c1cnn(C)n1 1367662408 LQUXESFMVQCANO-MRVPVSSYSA-N 318.175 -0.596 30 20 DBED CCN(CCC#N)C(=O)CNC[C@H](C)NC(=O)c1cnn(C)n1 1367760103 GUOXQBOVRAUUSA-NSHDSACASA-N 321.385 -0.715 30 20 DBED C=C(Cl)CNC[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2)CCO1 1376852707 HZYBJRKQNKMHTG-GHMZBOCLSA-N 301.774 -0.166 30 20 DBED CC(=O)N[C@H](C)C(=O)NC[C@@H](O)CNCc1ccccc1C#N 1379156856 AAJCAXNUTYQBNT-ABAIWWIYSA-N 318.377 -0.350 30 20 DBED CN(C[C@@H](O)CNC(=O)c1ccc(C#N)[nH]1)C(=O)CC(C)(C)O 1384222764 UYFABYUEHFSGFW-NSHDSACASA-N 322.365 -0.404 30 20 DBED C[C@@H](CNC(=O)c1ccc(C#N)[nH]1)NC(=O)CCn1cncn1 1386227083 VHAJYMABAYCWJR-JTQLQIEISA-N 315.337 -0.197 30 20 DBED C[C@@H](CNC(=O)c1c[nH]c(C#N)c1)CNC(=O)[C@H]1COCCO1 1388404484 NBIGKJBIGBUYPB-GXFFZTMASA-N 320.349 -0.216 30 20 DBED COCC(=O)NCCC(=O)N[C@@H]1CCN(C(=O)[C@H](C)C#N)C1 1396919002 VUKCWNFPCYKMLJ-GHMZBOCLSA-N 310.354 -0.984 30 20 DBED C[C@H](CNC(=O)C[C@@H]1CCC(=O)N1)NC(=O)c1cc(C#N)c[nH]1 1399927198 NMTQORFFCWNVIE-KOLCDFICSA-N 317.349 -0.210 30 20 DBED C[C@@H](C#N)C(=O)NC1CN(Cc2cc(=O)n3nccc3[nH]2)C1 1404743496 KFQUQUKXCURJPJ-VIFPVBQESA-N 300.322 -0.517 30 20 DBED Cc1nc(CC(=O)N(C)C[C@H]2CCN2C(=O)[C@H](C)C#N)n[nH]1 1406475560 QGQWZCBJPZYMBJ-MWLCHTKSSA-N 304.354 -0.125 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(O)(CNCc2cnnn2C)CC1 1408146961 RQOAITZIJBEGOY-NSHDSACASA-N 306.370 -0.582 30 20 DBED C[C@H](C#N)C(=O)NCC[C@@H]1CCCCN1C(=O)Cn1ncnn1 1409804247 CNLXQNVKCFZQBT-NEPJUHHUSA-N 319.369 -0.280 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CN(C)C(=O)C1(F)CCOCC1 1413284138 YOSLJQRHRYAMKO-GHMZBOCLSA-N 315.345 -0.400 30 20 DBED CC(=O)N[C@H](C)C(=O)N1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 1414489794 JHLSZPRIDCGOMF-SNVBAGLBSA-N 317.349 -0.305 30 20 DBED CC(C)S(=O)(=O)CC(=O)N1CCN(C(=O)[C@H](C)C#N)CC1 1414509814 YDHWTHLZBCIIJD-LLVKDONJSA-N 315.395 -0.360 30 20 DBED CNC(=O)c1cccc(C(=O)N(C)CCNC(=O)[C@@H](C)C#N)n1 1415597795 JKLJBUKUMQTLOC-JTQLQIEISA-N 317.349 -0.211 30 20 DBED C[C@H](CN(C)C(=O)CN(C)C(=O)C1CC1)NC(=O)[C@H](C)C#N 1425108503 ZWGHIFHWKAJHCY-GHMZBOCLSA-N 308.382 -0.022 30 20 DBED C[C@H](CN(C)C(=O)c1cc(C#N)c[nH]1)NC(=O)Cn1ncnn1 1450991486 QOYRMHVOASMQFH-SECBINFHSA-N 316.325 -0.850 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)[C@@H]2CCCS2(=O)=O)CC1 1453411901 XQWHMAPPQAZFDY-ZJUUUORDSA-N 313.379 -0.512 30 20 DBED COCCN(C)CCn1c(C)nnc1N1CCO[C@@H](C#N)C1 1460587140 DKTSQVYIUPCODV-ZDUSSCGKSA-N 308.386 -0.107 30 20 DBED C#CC[C@@H](C)OC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 1516697070 SVJXLRREOQSWOJ-SNVBAGLBSA-N 318.333 -0.221 30 20 DBED CCS(=O)(=O)N1CCC(C(=O)[C@H](C#N)C(=O)NC)CC1 1524677210 BDPYHRBWAZHRDJ-JTQLQIEISA-N 301.368 -0.497 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](CO)Nc1ccc(-c2nn[nH]n2)nc1 1573577458 PSVWQPONTBNUEK-PSASIEDQSA-N 316.325 -0.690 30 20 DBED C=CCCC[C@@H](N)C(=O)N1CCOC[C@H]1CNS(C)(=O)=O 1574903984 YWLWZOCDVJOAIE-VXGBXAGGSA-N 319.427 -0.553 30 20 DBED Cc1cc(C(=O)NCCn2cnc(-c3nn[nH]n3)n2)ncc1C#N 1580869212 DXWACCADSPAXLC-UHFFFAOYSA-N 324.308 -0.537 30 20 DBED C#CC[C@H](NC(=O)c1ccsc1S(N)(=O)=O)C(=O)O 1588415666 DEZWPSABBHROJC-ZETCQYMHSA-N 302.333 -0.398 30 20 DBED CC#CC[C@@H](CO)NC(=O)Nc1nn(C)cc1-c1nn[nH]n1 1588737272 CQDFXWLCRMZNEK-QMMMGPOBSA-N 304.314 -0.504 30 20 DBED C=CCCC[C@H](NC(=O)[C@H](C)NC(=O)Cn1cnnn1)C(=O)O 1588794126 LZWZFCOFCQZZDW-UWVGGRQHSA-N 324.341 -0.897 30 20 DBED C=CCOC[C@@H](NC(=O)Cn1ccc(C(=O)OC)n1)C(=O)O 1588856886 RNYSKBNROYPDAC-SNVBAGLBSA-N 311.294 -0.558 30 20 DBED CC(C)C#CC(=O)N1C[C@H]2[C@H](NC(=O)[C@@H]3C[C@H]3C(=O)O)[C@H]2C1 1590927186 VCVAPSADIDINOG-SSKLVLDBSA-N 304.346 -0.061 30 20 DBED CN(CCOCCNCC#N)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 1591112899 QRYHJZPWDGPALT-UHFFFAOYSA-N 318.341 -0.603 30 20 DBED N#CCC(=O)N1CCN(C(=O)c2ccc(C(=O)O)cn2)CC1 1594606436 XIWQWFJXOOCYPK-UHFFFAOYSA-N 302.290 -0.022 30 20 DBED CCOCCCNC(=O)[C@H](C#N)C(=O)[C@@H]1CC[C@H](C(=O)O)O1 1596917473 XEKGQTDPLUZLGZ-OUAUKWLOSA-N 312.322 -0.130 30 20 DBED C#CC[C@@H](COC)NC(=O)C(=O)N[C@@H]1C[C@@H]2C[C@H](C(=O)O)C[C@@H]21 1602682743 DXFDPFLBNPNONW-PJSNJIKXSA-N 322.361 -0.244 30 20 DBED C#CCN(CC(=O)O)C(=O)[C@@]1(c2ccccc2)CNC(=O)C1 1602682901 WHPGCQAQVLODSY-MRXNPFEDSA-N 300.314 -0.009 30 20 DBED CO[C@H]1COCC[C@H]1CNc1cnc(-c2nn[nH]n2)c(C#N)n1 1605037030 NGENLYXNICCEDT-WPRPVWTQSA-N 316.325 -0.008 30 20 DBED C[C@@H](C(=O)N1CC[C@](F)(C#N)C1)n1cnc(-c2nn[nH]n2)n1 1609067839 AAJZQQYSIVOWMA-CPCISQLKSA-N 305.277 -0.517 30 20 DBED C[C@@](O)(CNC(=O)C(=O)N1CCc2ccc(C#N)cc21)C(=O)O 1609943024 CGYBKCCGOXVGRU-OAHLLOKOSA-N 317.301 -0.601 30 20 DBED COC(=O)C[C@H](O)CNS(=O)(=O)c1ccc(CC#N)cc1 1647317973 ZZTWEQISZATCNL-NSHDSACASA-N 312.347 -0.045 30 20 DBED C#CCN1CCN(CCCNC(=O)c2cn(CC=C)nn2)CC1 1752352466 MAMTYFKBGXTRPU-UHFFFAOYSA-N 316.409 -0.165 30 20 DBED C[C@H](C#N)C(=O)N1CCCC[C@H]1CNCCN1C(=O)CNC1=O 1752826457 PMNNBAKDJVNERK-NEPJUHHUSA-N 321.381 -0.331 30 20 DBED CC#CCNC[C@H]1CCN(C(=O)[C@@H](CCC)S(N)(=O)=O)C1 1752946448 WSBVDBCJHAZWHI-CHWSQXEVSA-N 315.439 -0.095 30 20 DBED C=CCCNC[C@@H]1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)C1 1752956706 UZVWNJDZSMVTBB-LBPRGKRZSA-N 320.393 -0.288 30 20 DBED CN(Cc1nnnn1C)[C@@H]1CCCN(C(=O)CSCC#N)C1 1752987124 LJKVLRCJNKBJAK-LLVKDONJSA-N 323.426 -0.110 30 20 DBED C[C@H](NCC#N)C1CCN(C(=O)CS(=O)(=O)N(C)C)CC1 1753280948 PXEXSTPECIERGP-NSHDSACASA-N 316.427 -0.382 30 20 DBED C=CCn1cc(C(=O)NC2CN(CC(=O)NCC(C)C)C2)nn1 1753389082 ZNDGDSDOEXPIDU-UHFFFAOYSA-N 320.397 -0.350 30 20 DBED Cc1ccncc1C(=O)NC[C@H](C)CNCC(=O)NCC#N 1753608570 MYFOQCGZNSVZKM-LLVKDONJSA-N 303.366 -0.015 30 20 DBED C=CCCN1CCO[C@@H](CNC(=O)CN2C(=O)CCC2=O)C1 1753658418 RCSRGNTUXJJENO-LBPRGKRZSA-N 309.366 -0.472 30 20 DBED COCC#CCN(C)CCN(C)C(=O)[C@@]1(C)CCC(=O)NC1 1753860642 FNAQVHOMJXAJPP-INIZCTEOSA-N 309.410 -0.057 30 20 DBED C=C(C)CN(CC)C(=O)CNC[C@@H]1CCC[C@@H]1NC(=O)C(N)=O 1753896848 YBPHKWJOOBEMJO-STQMWFEESA-N 324.425 -0.229 30 20 DBED C#CCNC(=O)[C@@H](C)NCC[C@@H](C)NC(=O)c1cnn(CC)n1 1753963230 HMDSXIZVXXUNTR-VXGBXAGGSA-N 320.397 -0.466 30 20 DBED C#CCCNC/C=C\CNC(=O)[C@@H]1CCc2nnnn2CC1 1754183778 PNEINROUHDDTPO-DSYXLKISSA-N 302.382 -0.089 30 20 DBED C[C@@H](CNCC(=O)NCC#N)NC(=O)c1cc2n(n1)CCCC2 1754272583 YMNRSUUJILMMPL-NSHDSACASA-N 318.381 -0.433 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC(N(C)C(=O)C[C@H]2CCN(C)C2)C1 1754584715 MBACOFQNXAXLHC-ZIAGYGMSSA-N 320.437 -0.391 30 20 DBED NC(=O)CC(=O)NCC1(O)CN(CC#Cc2ccc(F)cc2)C1 1754764942 SMKVDTHKJDXRKS-UHFFFAOYSA-N 319.336 -0.785 30 20 DBED COCC#CCNC[C@H]1CC[C@H](NC(=O)c2nnn(C)n2)CC1 1754954990 UAUXDARQMDWVKU-JOCQHMNTSA-N 320.397 -0.262 30 20 DBED CCC[C@H](C(=O)N[C@@H]1CCCN(CC#N)CC1)S(N)(=O)=O 1755026457 QABGKLZMOCXFKJ-VXGBXAGGSA-N 316.427 -0.062 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC(CO)(NC(=O)C2CCC2)CC1 1755175683 CWKZMLUOZBJAFY-ZDUSSCGKSA-N 321.421 -0.133 30 20 DBED CCOCCNC(=O)CN1C[C@@H]2C(CNC(=O)[C@@H](C)C#N)[C@H]2C1 1755420462 MCILKJNJOWJFKU-IACUBPJLSA-N 322.409 -0.407 30 20 DBED C#CCCN[C@H](C)[C@H]1CN(C(=O)CCNC(=O)NC)CCO1 1755441338 DXXDUEYJNUOOJU-CHWSQXEVSA-N 310.398 -0.466 30 20 DBED COCC#CCNCCC[C@@H](C)NC(=O)c1cc(=O)n(C)cn1 1755502903 YVZJRDVSDAKBHX-CYBMUJFWSA-N 320.393 -0.082 30 20 DBED C#CCN[C@@H]1CCN(C(=O)CCS(=O)(=O)N(C)C)[C@H]1C 1755666495 FAEDMLLMNLHJOT-NWDGAFQWSA-N 301.412 -0.520 30 20 DBED C=C(C)CN(C)C[C@@H](O)CN(C)C(=O)[C@H](C)NS(C)(=O)=O 1755806050 XDNHXNOVLODIDB-NWDGAFQWSA-N 321.443 -0.749 30 20 DBED C#CCNC(=O)CNC1CC(N(C)C(=O)C[C@@](C)(O)C=C)C1 1755856319 UEZQJBWKONOYMP-ZUEPYMLJSA-N 307.394 -0.358 30 20 DBED CC(C)C#CC(=O)N1CC(CCO)(NC(=O)[C@@H]2CCC(=O)N2)C1 1756087293 YHYPJAXNOHKSDT-LBPRGKRZSA-N 321.377 -0.996 30 20 DBED C#CCOCCC(=O)N[C@@H](CO)CNC(=O)c1nccs1 1756545813 TWAOPXGTXTXRSM-SNVBAGLBSA-N 311.363 -0.610 30 20 DBED C=CCCC(=O)N(C)C[C@H](O)CN(C)C(=O)c1cnc(O)n1C 1756684197 RRTYKXFKLPBVEO-NSHDSACASA-N 324.381 -0.017 30 20 DBED CCNC(=O)CC(=O)N1C[C@H]2CCN(C(=O)[C@@H](C)C#N)C[C@H]2C1 1757471470 MBJPKDBTSOMNCF-XQQFMLRXSA-N 320.393 -0.021 30 20 DBED N#Cc1ncn(CC(=O)N[C@H]2CCc3nc(N)sc3C2)n1 1771704712 NZFCPQSKUWPXCA-ZETCQYMHSA-N 303.351 -0.138 30 20 DBED COC(=O)Cn1cc(C=NNc2ccc(C(=O)O)nc2)nn1 1776070680 BGQJBVQSLNJSBD-UHFFFAOYSA-N 304.266 -0.010 30 20 DBED C[C@@H](CC(=O)O)NS(=O)(=O)CCOC1(C#N)CCOCC1 1776402328 VOGPZQKHOFCBKW-JTQLQIEISA-N 320.367 -0.142 30 20 DBED C#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)CN)C[C@@H]21 1792172152 KVRXAGWTHDXOLO-QPSCCSFWSA-N 321.421 -0.026 30 20 DBED C/C(=C/C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC#N)C(=O)O 1795084876 YKZOKAUQYMIOSQ-KSDOGUMDSA-N 321.333 -0.479 30 20 DBED CC[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC#N 1795416779 OIKZGBNZMFTQKI-OPDFLTKYSA-N 309.366 -0.349 30 20 DBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1CCC1)CCO2 1834638267 UGAICOCFWVMYBW-INIZCTEOSA-N 306.362 -0.124 30 20 DBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccno3)C2)C1 1839807128 UKNFIZRUMFWCOM-HNNXBMFYSA-N 319.317 -0.622 30 20 DBED CC(C)(C)[C@H](O)C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1841317109 IANQCILQEYMFGP-CYBMUJFWSA-N 322.361 -0.315 30 20 DBED C#CC(=O)N1CCCC12CN(C(=O)Cn1ccncc1=O)C2 1845960212 FRLWQGRIKBGWEP-UHFFFAOYSA-N 300.318 -0.920 30 20 DBED C=CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](C)NC=O 1847813785 SGHNFFOZCPGDJW-MQYQWHSLSA-N 323.393 -0.086 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)[C@@H]1CCCN(C(C)=O)C1 10748353 FQJJCBLZHCHENH-LLVKDONJSA-N 311.338 -0.200 30 20 DBED CCN(CC#N)CC(=O)c1c(N)n(CC(C)C)c(=O)n(C)c1=O 72582979 IDZMDBUQVGHMIF-UHFFFAOYSA-N 321.381 -0.187 30 20 DBED CN1C(=O)CC[C@H](NS(=O)(=O)c2ccc(C#N)nc2)C1=O 122075351 ZVUIDKCRBAZGBL-JTQLQIEISA-N 308.319 -0.621 30 20 DBED CN(C1(C#N)CCC1)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O 185630881 SXFDWOFUKHELII-UHFFFAOYSA-N 312.351 -0.849 30 20 DBED C#CCSCCNS(=O)(=O)N1CCC(C(=O)O)CC1 231938129 CRMHKRIHPCHLJY-UHFFFAOYSA-N 306.409 -0.016 30 20 DBED COC(=O)[C@H](C)C/N=C(\N)N1CCN(c2ncccn2)CC1 264153776 ADRHSOSZNYUTJA-LLVKDONJSA-N 306.370 -0.278 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(CC(=O)OC)C2CC2)C1=O 267734970 SQCUOUBQRUTNBS-UHFFFAOYSA-N 323.305 -0.873 30 20 DBED C#CCNS(=O)(=O)c1cccc(C(=O)N2CC(C)(O)C2)c1 277756701 NZADBBFHRZPFNX-UHFFFAOYSA-N 308.359 -0.195 30 20 DBED CNS(=O)(=O)N1CCN(c2snc(C)c2C#N)CC1 288405182 KYHAXIAMBKBSDA-UHFFFAOYSA-N 301.397 -0.091 30 20 DBED C=CCN(CCc1ccco1)C(=O)C(=O)N1CCNC(=O)C1 297838212 RBQDMFSCHLOPPE-UHFFFAOYSA-N 305.334 -0.205 30 20 DBED N#Cc1cccc(C#N)c1N1CCN(CCS(N)(=O)=O)CC1 302869147 AUNIEPZZJBUUOA-UHFFFAOYSA-N 319.390 -0.160 30 20 DBED CN/C(=N\CC(C)(C)S(C)(=O)=O)NCCN1CCOCC1 304718035 NTFXSCYDFRNYSJ-UHFFFAOYSA-N 320.459 -0.693 30 20 DBED O=C1CCCN1[C@H]1CCN(/C(O)=N/CCN2CCOCC2)C1 330038968 BSTSRHUTCBXZCV-ZDUSSCGKSA-N 310.398 -0.071 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)NCC1(CO)CCOCC1 330413047 MDXAFLFUEURGGQ-NSHDSACASA-N 305.400 -0.156 30 20 DBED CN(C)c1ccc(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)cn1 330657602 PRMUCHQMRVWZHW-NSHDSACASA-N 303.322 -0.163 30 20 DBED CCC1(CC)N=C(O)N(CC(=O)N2CCN(CC#N)CC2)C1=O 330922081 AZYWHVFKVWTFIL-UHFFFAOYSA-N 321.381 -0.031 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N[C@H]2CCCC[C@@H]2C(N)=O)CCO1 336950767 UANMNVDBMGQEKK-VWYCJHECSA-N 316.383 -0.911 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H](CO)[C@H]1CCCO1 337157074 PKQRZWNXGXIMHT-GRYCIOLGSA-N 305.400 -0.158 30 20 DBED CNC(=O)[C@@H](CCSC)NS(=O)(=O)N(C)[C@@H](C)CC#N 341664630 HOVGOXZLNBPDOR-VHSXEESVSA-N 322.456 -0.078 30 20 DBED C=CC[C@@H](CO)CNC(=O)CN(C)[C@@H]1CCS(=O)(=O)C1 342414046 SDVLFLQOZPHJMZ-VXGBXAGGSA-N 304.412 -0.594 30 20 DBED N#CC1(NS(=O)(=O)CCCS(=O)(=O)N2CCCC2)CC1 349578287 WNOJMGGDRQGFOM-UHFFFAOYSA-N 321.424 -0.222 30 20 DBED C=CCCOCCNC(=O)NC[C@@H]1CS(=O)(=O)CCO1 351833352 UZJUZXPNNVSRAW-LLVKDONJSA-N 306.384 -0.308 30 20 DBED CCOC(=O)c1cnn(CC(=O)N[C@H](C)C(=O)N(C)C)c1C#N 352379344 QKPFDTFJFWJBIS-SECBINFHSA-N 321.337 -0.476 30 20 DBED C[C@@H](C#N)S(=O)(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 352408503 VIZZEIRCPXPHDC-WDEREUQCSA-N 301.368 -0.449 30 20 DBED CCN(CCC#N)S(=O)(=O)N1C[C@H](C)S(=O)(=O)[C@H](C)C1 352593540 SDYPPVLSQNEQGJ-PHIMTYICSA-N 323.440 -0.026 30 20 DBED CCS(=O)(=O)N1CCC[C@H](C(=O)N[C@@]2(C#N)CCOC2)C1 358449857 XRCLHBMDJSYRGQ-WCQYABFASA-N 315.395 -0.153 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCO[C@H]2C2CC2)C1=O 372374981 IWVIORSIHLEDPO-JQWIXIFHSA-N 321.333 -0.353 30 20 DBED COCCCS(=O)(=O)N1CCN(C(=O)NCCC#N)CC1 426447598 LLWDHOZRZLJKNU-UHFFFAOYSA-N 318.399 -0.406 30 20 DBED C=CC[C@@H](CO)NC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cnn(C)c1 467655380 GVPNFANAVKBQGP-FPMFFAJLSA-N 322.365 -0.628 30 20 DBED C#CCNC(=O)CCN1CCN(c2nccnc2C#N)C[C@H]1C 491118342 CRLWVNKGGMINOB-CYBMUJFWSA-N 312.377 -0.002 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@H](C)[C@@H](C)COC)CC1 491784473 QSQZFSYAOLZHBH-UONOGXRCSA-N 309.410 -0.201 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)CCc2cnccn2)CC1 491788059 YSSRNTKWKURLQL-UHFFFAOYSA-N 315.377 -0.697 30 20 DBED COC(=O)[C@@H](CO)NC[C@H](O)COc1ccc(CC#N)cc1 592429143 ALYQXEYIYTZGEY-GXTWGEPZSA-N 308.334 -0.384 30 20 DBED N#CCc1cccc(NC(=O)C(=O)NC[C@H]2COCCN2)c1 599898390 TXOARUZNDLYSFG-ZDUSSCGKSA-N 302.334 -0.204 30 20 DBED C[C@H](C(=O)NC1(C#N)CCC1)N1CCN(CC(=O)N(C)C)CC1 615774252 PZFQENCLTZQPFP-CYBMUJFWSA-N 321.425 -0.357 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCC(=O)N1CCN(C)CC1 732308331 XJPTZLRZTLZOJB-AWEZNQCLSA-N 306.410 -0.636 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@H](C)NC(=O)CC)CC1 733149461 HBDOLABYVJZIBM-ZDUSSCGKSA-N 322.409 -0.815 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@](C)(C(=O)O)C2CC2)C1=O 736106361 BAYSCMWWYWTMGX-CQSZACIVSA-N 323.305 -0.667 30 20 DBED C=CCN(CC(=O)OCC)C(=O)CCn1cc[nH]c(=O)c1=O 765224213 JPLSJISAXKHNHP-UHFFFAOYSA-N 309.322 -0.496 30 20 DBED C#CCNC(=O)c1ccc(N2C[C@@H](O)C[C@@H](C(=O)OC)C2)nc1 826817216 SLYQAEIGACSKCV-OLZOCXBDSA-N 317.345 -0.195 30 20 DBED CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NC[C@H](O)C(=O)O 833432338 LCDBMJIBVMLMTI-SDBXPKJASA-N 300.311 -0.190 30 20 DBED C#CCOCCOC(=O)C1=NC=CN2CCS(=O)(=O)N=C12 853882819 UYCGJOVZVUSPTI-UHFFFAOYSA-N 311.319 -0.851 30 20 DBED C=C[C@@](C)(O)c1cn([C@H](C)C(=O)N2CCN(C(C)=O)CC2)nn1 881169491 FRCHKLHCPSXPMW-IAQYHMDHSA-N 321.381 -0.077 30 20 DBED C[C@]1(CNC(=O)C(=O)N2CCN(CCC#N)CC2)CCCNC1 884710989 AYZOLVJPRRZPMA-INIZCTEOSA-N 321.425 -0.450 30 20 DBED C=CCC1(O)CCN(C(=O)CN2CCCS2(=O)=O)CC1 899586927 LNIPCILLMDYSDO-UHFFFAOYSA-N 302.396 -0.049 30 20 DBED C#CCN1CCN(C(=O)CN(C)Cc2cccc(O)n2)CC1 933397746 GKVYSRQWPZYWRJ-UHFFFAOYSA-N 302.378 -0.004 30 20 DBED C[C@@H](C#N)C(=O)N1CCCC[C@H]1CNC(=O)c1nnn(C)n1 937467150 OTQXBNVOEMXKOQ-UWVGGRQHSA-N 305.342 -0.519 30 20 DBED C[C@@H](C#N)C(=O)N1CCCN(C(=O)c2nccnc2N)CC1 940545713 QGKIVYGNRQEHDK-JTQLQIEISA-N 302.338 -0.107 30 20 DBED CCN(C(=O)c1c[nH]c(=O)cn1)[C@@H]1CCN(C(=O)[C@H](C)C#N)C1 942942145 ZVAWTQLAPDBRHW-GHMZBOCLSA-N 317.349 -0.007 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)C(N)=O)[C@@H](C)C2)nc1 945428558 KYYGDMKCSWGDJY-CMPLNLGQSA-N 314.345 -0.485 30 20 DBED CN(C(=O)CN1CCNC(=O)C1)[C@@H]1CCCN(CC#N)CC1 948669539 HYMHCJGPLNVKCR-CYBMUJFWSA-N 307.398 -0.745 30 20 DBED N#Cc1ccc(C(=O)NC[C@@H]2CCN2C(=O)C2(C(N)=O)CC2)[nH]1 949452968 VCRBBTAZRGXTII-JTQLQIEISA-N 315.333 -0.517 30 20 DBED C#CCCN1CCOC2(CCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)C1 949472413 DBYCTDLDIKKBPW-KGLIPLIRSA-N 319.405 -0.176 30 20 DBED C[C@H](C#N)C(=O)N1CC(N(C)C(=O)CC2CS(=O)(=O)C2)C1 954677403 MBXNEDONRSWCOC-SECBINFHSA-N 313.379 -0.750 30 20 DBED C[C@@H]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)CC(N)=O 955590422 BWQNUYCJXUKFAQ-KOLCDFICSA-N 317.349 -0.129 30 20 DBED COCc1nn(C)cc1C(=O)NC[C@@H]1CN(CC#N)C[C@@H]1O 958182844 HLHTZGHNHMTYRJ-MFKMUULPSA-N 307.354 -0.887 30 20 DBED Cc1nc[nH]c1CC(=O)N(C)[C@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1O 958908446 JEZDHIGZDVBNSQ-ICCXJUOJSA-N 319.365 -0.550 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2CN(C(=O)C(N)=O)C[C@@H]2C)cn1 959574403 YGMDLBUQGCFYAE-JQWIXIFHSA-N 314.345 -0.628 30 20 DBED Cc1nonc1C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H](C)C#N 960880361 VKABXMSLZJDJSQ-DVVUODLYSA-N 319.321 -0.411 30 20 DBED C#CCCN1C[C@H]2[C@H](NC(=O)c3ccc(-n4cnnn4)cn3)[C@H]2C1 961361144 UKZLNHRZASZZTA-NHAGDIPZSA-N 323.360 -0.259 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CN(C(=O)Cn3cncn3)C[C@H]2C1 962261439 WZBFUGUVVDTEJX-UTUOFQBUSA-N 302.338 -0.645 30 20 DBED O=C(C[C@H]1COC(=O)C1)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 962284767 QPVMAFFEYRHLEK-UPJWGTAASA-N 320.345 -0.959 30 20 DBED CO[C@@H](C)C(=O)N1C[C@H](O)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 962387619 IVJDIUBSVLXCRY-AXTRIDKLSA-N 306.322 -0.777 30 20 DBED CCc1oncc1C(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1O 963203853 PJLWMHNEYLVEKX-GDPRMGEGSA-N 306.322 -0.302 30 20 DBED O=C(Cn1ncnn1)N[C@H]1CCCN(C(=O)C#CC2CC2)CC1 964929491 UKAREAOIQOOMSL-ZDUSSCGKSA-N 316.365 -0.416 30 20 DBED CC#CCN1CCO[C@]2(CCN(C(=O)[C@H]3CC(=O)N(C)C3)C2)C1 972409724 SPXYKJOUAHFKPF-WMLDXEAASA-N 319.405 -0.209 30 20 DBED CN(C[C@@H]1CCN1C(=O)C#CC1CC1)C(=O)[C@H]1COCCN1C 977583259 ASJNRTHWKCRUAE-LSDHHAIUSA-N 319.405 -0.210 30 20 DBED C=C(C)CN[C@@H]1C[C@@H](C)N(C(=O)Cn2ccc(=O)n(C)c2=O)C1 988927060 JUEGDHLNJFOUME-CHWSQXEVSA-N 320.393 -0.298 30 20 DBED C=CCCn1cc(C(=O)N2CC(NC(=O)c3ncc[nH]3)C2)nn1 991241663 UGILDONYDYSXEJ-UHFFFAOYSA-N 315.337 -0.168 30 20 DBED Cn1cncc1C(=O)N[C@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1O 991564430 CAILMOGHKNGIKF-JSGCOSHPSA-N 316.361 -0.475 30 20 DBED C=C(C)C(C)(C)C(=O)N1CC(NC(=O)Cn2ncn(C)c2=O)C1 994970702 SLIOMIUQWALPGQ-UHFFFAOYSA-N 321.381 -0.489 30 20 DBED CC1(C)CN(C(=O)CCn2cnccc2=O)C[C@H]1NCC#N 996460604 IEMWRNNUNHPAMX-GFCCVEGCSA-N 303.366 -0.016 30 20 DBED Cn1cc(C(=O)NCC2CN(C(=O)C#CC3CC3)C2)ccc1=O 1003119429 ANUBPOCBJCDKLP-UHFFFAOYSA-N 313.357 -0.013 30 20 DBED C[C@H](C#N)C(=O)N1CC(CNC(=O)c2ccc(=O)n(C)c2)C1 1003121320 LFIPHTSSDIDHKP-SNVBAGLBSA-N 302.334 -0.267 30 20 DBED C[C@H](C#N)C(=O)N1CC(CNC(=O)[C@@H]2CCCN(C(N)=O)C2)C1 1003184602 CRWXBCJJSQGJAR-ZYHUDNBSSA-N 321.381 -0.489 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCN(C(=O)[C@@H]3CCC(=O)N3C)C2)C1 1019364915 PEIFNXKOUMBEEK-NEPJUHHUSA-N 318.377 -0.172 30 20 DBED C=CCN1CC[C@@H](N[C@H]2C[C@H](NC(=O)[C@H]3COC(=O)N3)C2)C1=O 1020121205 DIZVNSYHWKGHJX-DDHJBXDOSA-N 322.365 -0.882 30 20 DBED N#CCN1CC[C@@H]2[C@H](CCCN2C(=O)Cn2c(O)nnc2O)C1 1021722273 NACBPSHUNOVGBV-GHMZBOCLSA-N 320.353 -0.474 30 20 DBED COc1nc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2O)co1 1024821754 DRGOCCQSLSIPNX-QXFUBDJGSA-N 308.294 -0.856 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCN(C)C3)C[C@H]2O)C1 1025545818 PDEZBXLITJFJAF-BFHYXJOUSA-N 321.421 -0.018 30 20 DBED C=CCN1CCC[C@H]([C@@H](C)NC(=O)c2cn(CC(N)=O)nn2)C1 1025629947 NGAQCGWPDLVMBX-NEPJUHHUSA-N 320.397 -0.220 30 20 DBED C=C[C@@](C)(CC)C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2nc[nH]n2)C1 1025740061 MAWCYOFKQZRSTK-HFAKWTLXSA-N 321.381 -0.363 30 20 DBED N#CCN1CCC[C@H]1CNC(=O)[C@@H]1CCc2nnnn2CC1 1028149545 GBFYDUYNSFCJFH-NEPJUHHUSA-N 303.370 -0.270 30 20 DBED C=C(C)CN[C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)C[C@H]1C 1036214520 JIJVTYQPFAYMRA-VXGBXAGGSA-N 308.382 -0.059 30 20 DBED C#CCN1CC[C@H]1CNC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 1038248740 YJPUIMOPAFIGPU-NEPJUHHUSA-N 301.350 -0.414 30 20 DBED Cn1cncc1C(=O)N1CC[C@](O)(CNC(=O)C#CC2CC2)C1 1039688144 BAEBNRYRJOBBAE-INIZCTEOSA-N 316.361 -0.473 30 20 DBED CCCN(C)CCC(=O)N1CC[C@](O)(CNC(=O)[C@H](C)C#N)C1 1040759105 DXEGAXYVGNIRPF-CJNGLKHVSA-N 324.425 -0.042 30 20 DBED CC(=O)NC(C)(C)C(=O)N1CC[C@@](O)(CNC(=O)[C@@H](C)C#N)C1 1040764680 XOCXRTMXSZCAEC-ZUZCIYMTSA-N 324.381 -0.860 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)[C@H]2CCCOC2)C1 1041995587 YKGQRMMSVSZALH-ZDUSSCGKSA-N 308.378 -0.094 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)[C@H]2CCN(C)C2)C1 1042801380 LHCQTEOUKOGIOT-ZDUSSCGKSA-N 307.394 -0.569 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)CC2(C)CC2)C1 1043042652 SUSWWOZVIXOALO-GFCCVEGCSA-N 308.378 -0.096 30 20 DBED C=C(C)CCC(=O)N1CC(O)(CNC(=O)c2cncnc2O)C1 1043584130 UDLZVPJMJUWVDM-UHFFFAOYSA-N 320.349 -0.158 30 20 DBED CCN(C)C(C)(C)C(=O)NCC1(O)CN(C(=O)[C@H](C)C#N)C1 1043612154 DCKFAFRAGAZCFK-LLVKDONJSA-N 310.398 -0.434 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CN(c3cncc(C#N)n3)C[C@@H]2O)c1 1043885591 DBSSZVBQMMSNGP-OLZOCXBDSA-N 323.316 -0.472 30 20 DBED CC[C@@H](C(=O)NCC1(O)CN(C(=O)C#CC(C)C)C1)N(C)C 1044041928 RXQVVOJJOADRKP-ZDUSSCGKSA-N 309.410 -0.325 30 20 DBED C=C(C)CN1CC(N(C)C(=O)CN2CCS(=O)(=O)CC2)C1 1044288051 MBZXOAAPOMAOOX-UHFFFAOYSA-N 315.439 -0.565 30 20 DBED C=C[C@H](C)[C@@H](C)C(=O)NCC1(O)CN(C(=O)Cn2nccn2)C1 1044979574 GUPBQHAKYUFBCA-NWDGAFQWSA-N 321.381 -0.574 30 20 DBED CCCc1cc(C(=O)N2CC(O)(CNC(=O)[C@@H](C)C#N)C2)n[nH]1 1045565286 UQFHVWUVRNBFKG-JTQLQIEISA-N 319.365 -0.175 30 20 DBED C[C@H](C(=O)N1CCN([C@@H]2CCN(CC#N)C2)CC1)n1cncn1 1046022313 PAKYITAWAPGIJG-ZIAGYGMSSA-N 317.397 -0.419 30 20 DBED C[C@@]1(NC(=O)[C@H]2CCc3nnc(O)n3C2)CCN(CC#N)C1 1046430872 GRWVDURXSKXWFQ-IINYFYTJSA-N 304.354 -0.350 30 20 DBED C[C@]1(NC(=O)[C@@H]2CCc3nnc(O)n3C2)CCN(CC#N)C1 1046430878 GRWVDURXSKXWFQ-YGRLFVJLSA-N 304.354 -0.350 30 20 DBED C=C1CC(C)(C(=O)N2CC(O)(CNC(=O)[C@H]3C[C@H]3C(N)=O)C2)C1 1046725785 PKZLPYLKNIPCHJ-MNOVXSKESA-N 321.377 -0.846 30 20 DBED C=CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC(=O)N(C)C2)C1 1047640193 LDPXCRXAAAHFQK-IHRRRGAJSA-N 309.410 -0.066 30 20 DBED CNC(=O)CN1C[C@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]2C1 1048771486 MKUIXNRAPNFBER-PHIMTYICSA-N 301.350 -0.364 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cc2cnoc2)C1 1049276008 PVPNFLLZLFFRSL-KBPBESRZSA-N 319.361 -0.093 30 20 DBED C=CCn1cc(C(=O)N2CCC[C@H]3[C@H]2CCN3CC(N)=O)nn1 1049773957 TYPCBEILIQICOA-QWHCGFSZSA-N 318.381 -0.372 30 20 DBED C#CCCN1CCC2(CC1)CN(C(=O)CN1C(=O)CNC1=O)C2 1050748817 ZAPAGXPVZHPRCK-UHFFFAOYSA-N 318.377 -0.514 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)c1nc2ncc(C)cn2n1 1050973597 HCFHBHONDQGBGY-GFCCVEGCSA-N 314.349 -0.503 30 20 DBED CC#CCN1CCOC[C@H]1CNC(=O)[C@H]1CN(C)C[C@@H](C)O1 1050986026 IACIUNXKKUIPAX-RBSFLKMASA-N 309.410 -0.454 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)c1ccc(N(C)C)nn1 1051207578 HIDIOYCNEDGLBC-GFCCVEGCSA-N 303.366 -0.394 30 20 DBED N#Cc1ccc(CNC[C@H]2CN(C(=O)CC(N)=O)CCO2)cc1 1051504407 HDXJVEXEQCKSKL-AWEZNQCLSA-N 316.361 -0.249 30 20 DBED Cn1cnnc1CNC[C@@H]1CN(C(=O)C#CC2CC2)CCO1 1051613194 XAGYDBPIYWDYLP-CYBMUJFWSA-N 303.366 -0.455 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)[C@H]3CC(=O)N(C)C3)CO2)C1 1053822426 NCCFERXVVAOJSG-QWHCGFSZSA-N 305.378 -0.553 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)[C@H]3CN(C)C[C@@H](C)O3)CO2)C1 1053844031 BSBXWEJZMFOVPB-QLFBSQMISA-N 321.421 -0.312 30 20 DBED C#CCOCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](CNC(=O)C(N)=O)C2 1054515852 GPLRSPCSDSRHJP-CLLJXQQHSA-N 321.377 -0.603 30 20 DBED CS(=O)(=O)CC(=O)N1CCN(c2cncc(C#N)n2)CC1 1055733987 JKYRYZSKWVIMTN-UHFFFAOYSA-N 309.351 -0.959 30 20 DBED Cc1cc(N2CCN(C(=O)[C@H]3CNC(=O)N3)CC2)c(C#N)cn1 1055998302 BDHOQEPFHMHCPF-GFCCVEGCSA-N 314.349 -0.408 30 20 DBED Cn1cnc(C(=O)NC2[C@@H]3CN(c4cncc(C#N)n4)C[C@@H]23)c1 1056186900 PLFKZQULNDFVOI-GHMZBOCLSA-N 309.333 -0.054 30 20 DBED N#Cc1nccnc1N1C[C@H]2C(NC(=O)Cc3ncc[nH]3)[C@@H]2C1 1056277298 SZBHMYPIFOZBJK-NXEZZACHSA-N 309.333 -0.135 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@@H]2[C@H]1CCCN2C(=O)CC(N)=O 1056325765 UVHMNKHMTNWFDE-JHJVBQTASA-N 321.377 -0.508 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H]1CCN(C(=O)C2CS(=O)(=O)C2)C1 1056709749 ZUPHUBJPZCVVBV-GFCCVEGCSA-N 320.374 -0.567 30 20 DBED N#CCSCC(=O)NCCN(CCO)C(=O)c1ccccn1 1056793805 XIZFCHMHXORSKJ-UHFFFAOYSA-N 322.390 -0.111 30 20 DBED C#CCOCCC(=O)NCCN(CCO)C(=O)c1ccco1 1056812431 BWNZBUSPKOPZCP-UHFFFAOYSA-N 308.334 -0.130 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)CCc1cn[nH]c1 1057197926 HCMAUCZKIJYQPJ-UHFFFAOYSA-N 324.381 -0.518 30 20 DBED CN1CCCC[C@H]1C(=O)NCCN(CCO)C(=O)C#CC1CC1 1057537797 NAFMBPGWXDGRTP-HNNXBMFYSA-N 321.421 -0.179 30 20 DBED C#CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)c1ccn(C)c1 1057583356 OAWNKMWTUAUDCO-ZDUSSCGKSA-N 321.377 -0.386 30 20 DBED C=CCO[C@H](C)C(=O)N(CCO)CCNC(=O)CCN(C)C 1057921582 KVPNBCKHLPQYJT-CYBMUJFWSA-N 315.414 -0.534 30 20 DBED N#Cc1cnccc1N1CC[C@@H](NC(=O)C2CS(=O)(=O)C2)C1 1058456878 YWBIDLBLWRFRFV-GFCCVEGCSA-N 320.374 -0.307 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)[C@H](C)c1cncnc1 1058490072 VFBQWLOTYTVTRX-VXGBXAGGSA-N 319.365 -0.323 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)Cc1nc[nH]n1 1058889249 AZRRSOYUJUQJTN-UHFFFAOYSA-N 307.354 -0.912 30 20 DBED C#CCO[C@H](C)C(=O)N1CCOC[C@H]1CNC(=O)CSC 1061262126 VAFGSXUIQMYVOQ-VXGBXAGGSA-N 314.407 -0.269 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1COCCN1C(=O)c1nc[nH]n1 1061567005 ZSAXKRYYNZOTJY-LLVKDONJSA-N 305.338 -0.579 30 20 DBED CN(C)C(=O)CC(=O)N1CCOC[C@@H]1CNC(=O)C#CC1CC1 1061573254 OJBPKMMROSRJNC-ZDUSSCGKSA-N 321.377 -0.778 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)CCc1cn[nH]c1 1061618587 GSPSCDJWPCYQNS-AAEUAGOBSA-N 319.365 -0.154 30 20 DBED Cn1cc(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccnc(C#N)n2)nn1 1062486635 SSKPQBRHPBDDPV-UWVGGRQHSA-N 310.321 -0.420 30 20 DBED CNC(=O)CC(=O)NCC1(NC(=O)c2cc(C#N)c[nH]2)CCC1 1062843086 REELTEHIKONELQ-UHFFFAOYSA-N 317.349 -0.209 30 20 DBED CN(C(=O)Cc1nc[nH]n1)[C@H]1CCN(c2cncc(C#N)n2)C1 1062976714 RZUSIBXMOLAWPX-NSHDSACASA-N 312.337 -0.254 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CCC1 1064305918 ZMCIAYKABFTBMS-OUAUKWLOSA-N 322.365 -0.666 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)c2c[nH]c(=O)cn2)CCC1 1064306562 LCUUMRUYSXEUSN-VIFPVBQESA-N 303.322 -0.302 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CN(C(=O)COCC2CC2)CCO1 1064900329 QVSRKUAFJQQBBF-WCQYABFASA-N 309.366 -0.084 30 20 DBED C[C@@]1(NC(=O)[C@@H]2CCNC2=O)CCN(c2ccnc(C#N)n2)C1 1065312605 UAJVBFOBMJSHAC-MEBBXXQBSA-N 314.349 -0.431 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCCN(C(=O)c2nc[nH]n2)CC1 1066172625 IEGBOBGESHTEPV-GFCCVEGCSA-N 319.365 -0.045 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](CNC(=O)c3ccccn3)C2)nn1 1067642256 AGLWMSDPEOJYHH-RISCZKNCSA-N 324.344 -0.030 30 20 DBED Cc1nn[nH]c1C(=O)NC[C@H]1[C@@H]2CN(c3ccc(C#N)nn3)C[C@H]12 1068192995 UFQZOFKRFRTEBF-CNDDSTCGSA-N 324.348 -0.113 30 20 DBED C#CCOCCC(=O)N1CCOC2(C1)CN(C(=O)COC)C2 1068397902 WZYDXZJCTSTGBX-UHFFFAOYSA-N 310.350 -0.888 30 20 DBED C=CCCC(=O)N[C@H]1COC2(C1)CN(C(=O)[C@@H]1CCC(=O)N1)C2 1068752975 KJBLFYZUCDDDCP-NEPJUHHUSA-N 321.377 -0.283 30 20 DBED C[C@H]1C[C@H](Nc2cncc(C#N)n2)CN1C(=O)c1nnn(C)n1 1069178152 KTPDVCSFYDVQPT-IUCAKERBSA-N 313.325 -0.413 30 20 DBED N#Cc1nc(=NC[C@@H]2CC[C@H](NC(=O)c3nc[nH]n3)C2)cc[nH]1 1069481832 XSXNJHXLPHHPGE-ZJUUUORDSA-N 312.337 -0.101 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)C2=COCCO2)C1 1069892650 IESWWGYBBSUQRI-NEPJUHHUSA-N 305.338 -0.306 30 20 DBED CC#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)Cc2cc[nH]n2)C1 1069905430 WZLGQEUBTDWHSK-KGLIPLIRSA-N 313.365 -0.391 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2coc(OC)n2)C[C@@H]1n1ccnn1 1070243909 SCVTYFXEVWACJN-PWSUYJOCSA-N 316.321 -0.437 30 20 DBED N#CCN1CCN([C@H]2CCCN(C(=O)c3cnn[nH]3)C2)C(=O)C1 1071267041 CQMFFHPKSVDUPF-NSHDSACASA-N 317.353 -0.923 30 20 DBED C=CCOCC(=O)N[C@H]1CN(C(=O)c2ccc(O)nn2)C[C@@H]1C 1071533140 IEBVAPHMDHQYTI-JQWIXIFHSA-N 320.349 -0.039 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C 1071656995 YEGHGBCIQLOIJS-NXEZZACHSA-N 312.395 -0.658 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H](C)[C@H](NC(=O)CCCF)C1 1071940348 VRLFLDZOYNPJOY-NWDGAFQWSA-N 311.357 -0.161 30 20 DBED C=CCOCC(=O)N[C@H]1CN(C(=O)c2cnnn2C)C[C@@H]1C 1072007737 WFONCFVRIJFZTC-QWRGUYRKSA-N 307.354 -0.406 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(C(=O)Cc2cnc[nH]2)C[C@H]1C 1072801306 PQIULZVQAYROBE-TZMCWYRMSA-N 318.377 -0.045 30 20 DBED C#CCO[C@@H](C)C(=O)NC1(C)CCN(C(=O)CNC(N)=O)CC1 1072860124 GIGHNGJARKSTAF-NSHDSACASA-N 324.381 -0.810 30 20 DBED C=CCN1CCC2(C1)CN(C(=O)CCn1cc[nH]c(=O)c1=O)C2 1073062445 ACAUEBFVNUMWBO-UHFFFAOYSA-N 318.377 -0.353 30 20 DBED Cn1cc(C(=O)NC[C@H]2CN(CC#N)CCCO2)ccc1=O 1073669960 CJLPCXHNODNVND-ZDUSSCGKSA-N 304.350 -0.270 30 20 DBED C[C@@H](CCNC(=O)c1ncn(C)n1)NC(=O)c1cc(C#N)c[nH]1 1076373851 LVYKVAWWRUSKNU-VIFPVBQESA-N 315.337 -0.047 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)c2cc3c(cn2)OCCO3)C1 1077151989 SRSQMZKZHJGERX-CHWSQXEVSA-N 317.345 -0.349 30 20 DBED Cc1nn(C)c(Cl)c1CC(=O)N[C@@H]1CN(CC#N)C[C@H]1O 1077308743 JXRWABYOIYMHMQ-GHMZBOCLSA-N 311.773 -0.391 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2cccc3oc(O)nc23)C1 1077391353 DRVYVFDWYONLHV-GHMZBOCLSA-N 301.302 -0.059 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)c2c(C)c(C)nn(C)c2=O)C1 1077488799 IRWOHYIHFOSTDM-VXGBXAGGSA-N 306.366 -0.642 30 20 DBED CC(=O)NCc1ccc(C(=O)N[C@@H]2CN(CC#N)C[C@H]2O)s1 1077742539 GEZULILUKVJGGE-VXGBXAGGSA-N 322.390 -0.317 30 20 DBED C[C@@H](CCNC(=O)C1(C(N)=O)CC1)NC(=O)c1ccc(C#N)[nH]1 1078111543 CSFKDCNHRSYHIT-VIFPVBQESA-N 317.349 -0.224 30 20 DBED C[C@@H](CCNC(=O)[C@@H](C)C#N)NC(=O)CS(=O)(=O)N(C)C 1078132197 MIOIOMMHEFJBTL-UWVGGRQHSA-N 318.399 -0.952 30 20 DBED C=CCN[C@H]1C[C@H](NC(=O)Cn2ncn(C)c2=O)C12CCC2 1078663514 ODQYGRWRTGSPGI-RYUDHWBXSA-N 305.382 -0.215 30 20 DBED C=CCOCC(=O)N(CC)C1CN(C(=O)CC(=O)NCC)C1 1079490588 WENRLMDBUWNTIM-UHFFFAOYSA-N 311.382 -0.226 30 20 DBED C=CCOCC(=O)N(CC)C1CN(C(=O)[C@]2(C)CNC(=O)C2)C1 1079494251 XPOXDSADHOKCCM-INIZCTEOSA-N 323.393 -0.226 30 20 DBED C=CCOCC(=O)N1CC(N(CC)C(=O)COCCOC)C1 1079501296 DPHLMWNIGIXFCC-UHFFFAOYSA-N 314.382 -0.089 30 20 DBED C#CCNC(=O)CC(=O)N(CC)C1CN(C(=O)[C@@H]2C[C@@H]2C)C1 1079644741 RARMYTWTCWZAJD-WCQYABFASA-N 305.378 -0.159 30 20 DBED C=C[C@](C)(O)CC(=O)N(CC)C1CN(C(=O)Cc2nc[nH]n2)C1 1079689063 YLMOBTLHMYCHDL-HNNXBMFYSA-N 321.381 -0.266 30 20 DBED C#CCC1(C(=O)N2CC(N(CC)C(=O)C(N)=O)C2)CCOCC1 1080404156 VSXRKYWFLFFQQH-UHFFFAOYSA-N 321.377 -0.649 30 20 DBED COCC(=O)NC[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1O 1081178055 KSUXZBRMTBSQQH-JQWIXIFHSA-N 306.322 -0.918 30 20 DBED CCN(CC)CC(=O)NC[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 1081505700 JHYLOYUXGGQMBB-GJZGRUSLSA-N 321.421 -0.323 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)Cn2nccn2)C1 1081517674 SPRFNRPDGVYOHS-VXGBXAGGSA-N 307.354 -0.820 30 20 DBED C=C(Cl)CN1C[C@@H](NC(=O)[C@@H]2CCC(=O)N2)[C@H](OC)C1 1082333070 MMYGRAWXUSFMSZ-HBNTYKKESA-N 301.774 -0.167 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(C[C@H](C)O)C[C@H]2OC)nc1 1082333624 RCTGMZJPUMYWSM-NILFDRSVSA-N 303.362 -0.127 30 20 DBED C#CCN[C@@H]1CN(C(=O)C2CC3(C2)NC(=O)NC3=O)C[C@H]1C 1082801572 XLVIRGRSHPEXMP-GPZIFOQPSA-N 304.350 -0.956 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2cnn(-c3cccnc3)c2)C1 1083520292 BYOZFEQDUIETED-CABCVRRESA-N 311.345 -0.325 30 20 DBED Cn1cc([C@@H]2CN(C(=O)Cn3nccn3)C[C@H]2NCC#N)cn1 1086981520 NSMZBRPSYDGKKU-QWHCGFSZSA-N 314.353 -0.881 30 20 DBED N#CCN1C[C@H]2CC[C@H]1[C@@H]1CN(C(=O)Cn3ncnn3)C[C@@H]21 1087358941 ONAORGRHUMTFOC-XQHKEYJVSA-N 301.354 -0.635 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CCN(CCS(C)(=O)=O)C[C@H]2C1 1087911099 KGMHAYYCUDFYLM-XQQFMLRXSA-N 313.423 -0.029 30 20 DBED C=CCN1CC[C@H](NC(=O)Cn2cccc(C)c2=O)[C@@H](O)C1 1090265036 JHOWXXQINFGNBG-KBPBESRZSA-N 305.378 -0.106 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)c2ccc(C(N)=O)[nH]2)[C@H](O)C1 1090573004 JDNROYCGTABUKT-GXFFZTMASA-N 306.366 -0.145 30 20 DBED COc1cc(O)ncc1C(=O)N[C@@H]1CCN(CC#N)C[C@@H]1O 1090583296 NGSNBXPAWYVPSG-MNOVXSKESA-N 306.322 -0.516 30 20 DBED C=C(C)CCN1CC[C@H](NC(=O)c2ccc(=O)n(C)n2)[C@@H](O)C1 1090791546 UFLJUMUHTYCXJE-JSGCOSHPSA-N 320.393 -0.089 30 20 DBED COc1nc(C)cc(N2C[C@H](O)[C@H](NC(=O)[C@H](C)C#N)C2)n1 1091082307 CNDJFVJWPARIOB-IEBDPFPHSA-N 305.338 -0.381 30 20 DBED COC(=O)NCC(=O)NC1[C@@H]2CN(c3cncc(C#N)n3)C[C@@H]12 1093238555 DOLQVTWJAFCMQF-NXEZZACHSA-N 316.321 -0.745 30 20 DBED Cn1nccc1COCC(=O)NCCNc1cncc(C#N)n1 1093944913 JRSMSJXHCBQNFL-UHFFFAOYSA-N 315.337 -0.173 30 20 DBED COCC(=O)N[C@H](C)C(=O)NCCNc1cnc(C#N)cn1 1094185296 OTMUCOZSMWELOL-SECBINFHSA-N 306.326 -0.973 30 20 DBED N#Cc1ccc(NCCCNC(=O)[C@H]2CCCS2(=O)=O)nn1 1094445191 FIPNTBWXSMRERB-LLVKDONJSA-N 323.378 -0.156 30 20 DBED C=CCN1CCN(C(=O)c2ccon2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094609676 GAIVSUJMPIIFMA-NWDGAFQWSA-N 311.363 -0.216 30 20 DBED Cc1ocnc1C(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1 1094711252 CISXGVJNTFNGQT-SNVBAGLBSA-N 303.322 -0.479 30 20 DBED N#Cc1cnc(N2CCN(CCNC(=O)C3CC3)CC2)cn1 1096261109 ZZWNBTSSRYXXTP-UHFFFAOYSA-N 300.366 -0.004 30 20 DBED CCCC(=O)NCC(=O)N[C@H]1CCN(c2cncc(C#N)n2)C1 1096327825 PHUOGFAKFXYKPU-NSHDSACASA-N 316.365 -0.041 30 20 DBED N#Cc1nc(=N[C@H](CNC(=O)[C@H]2COCCO2)C2CC2)cc[nH]1 1096600868 NVYIWMIGXOUCPG-VXGBXAGGSA-N 317.349 -0.508 30 20 DBED N#Cc1c[nH]ccc1=N[C@H](CNC(=O)Cn1cncn1)C1CC1 1096676985 VNTDSYGABZUJAS-CQSZACIVSA-N 311.349 -0.026 30 20 DBED CC(C)(C(N)=O)C(=O)NC[C@H](N=c1cc[nH]c(C#N)n1)C1CC1 1096751221 ITWKQZOXNYLSFF-JTQLQIEISA-N 316.365 -0.412 30 20 DBED C[C@H](CNC(=O)[C@H]1CN(C)CCO1)N=c1cc[nH]c(C#N)n1 1097768962 WQBOKLWZTKBLGE-GHMZBOCLSA-N 304.354 -0.983 30 20 DBED C[C@H](CNC(=O)[C@H]1CCN(C)C1=O)Nc1cnc(C#N)cn1 1098193441 DDKFASFYVXTXQO-MWLCHTKSSA-N 302.338 -0.257 30 20 DBED C#CCCN(CCO)C1CCN(C(=O)CCNC(=O)NC)CC1 1098361315 BKGGEVZPMGUUTC-UHFFFAOYSA-N 324.425 -0.386 30 20 DBED C[C@H](NC(N)=O)C(=O)N1CC[C@@H](CN=c2cc[nH]c(C#N)n2)C1 1098521959 QEKCTEUFSQMODE-UWVGGRQHSA-N 317.353 -0.913 30 20 DBED C=CCCC(=O)N1CC[C@@H](n2cc(CNCC(N)=O)nn2)C1 1098638388 WWSHNAUDIDJOBL-GFCCVEGCSA-N 306.370 -0.407 30 20 DBED C[C@@H](CCNC(=O)[C@@H]1COCCN1C)Nc1cnc(C#N)cn1 1099021173 NCFLXVBKWFKJCO-AAEUAGOBSA-N 318.381 -0.014 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2cn(C)cn2)[C@@H](O)C1 1099766368 JXFNGPKXSTUBFG-OCCSQVGLSA-N 306.366 -0.765 30 20 DBED Cn1ccnc1CN1CC[C@@H](NC(=O)C#CC2CC2)[C@H](O)C1 1099813989 XRYXAIMIIWHQMK-ZIAGYGMSSA-N 302.378 -0.115 30 20 DBED N#Cc1cc(C(=O)NCC2CC(NCC(=O)NC(N)=O)C2)c[nH]1 1100254801 MQZPOSPRPIKDJP-UHFFFAOYSA-N 318.337 -0.821 30 20 DBED COCC#CCNC1CC(CNC(=O)COc2cnn(C)c2)C1 1100612808 FXZUPGNJXUTGEX-UHFFFAOYSA-N 320.393 -0.067 30 20 DBED CCN(CCNC(=O)[C@H]1CC[C@@H]1C(N)=O)c1cnc(C#N)cn1 1100695493 XBXZGQYQUHGAPU-RYUDHWBXSA-N 316.365 -0.198 30 20 DBED N#Cc1cncc(N2CCC[C@@H]2CNC(=O)C2(C(N)=O)CC2)n1 1100902091 CRPDCSKUVQWASY-LLVKDONJSA-N 314.349 -0.301 30 20 DBED C#CCNC(=O)CC(=O)N(C)CCNc1nc(C)cc(C#N)n1 1101551929 MHJXSZKXBQIZTF-UHFFFAOYSA-N 314.349 -0.334 30 20 DBED C[C@@H](CS(C)(=O)=O)C(=O)N(C)CCN=c1cc[nH]cc1C#N 1101654678 LQKFQCSJTJDZRZ-NSHDSACASA-N 324.406 -0.074 30 20 DBED CC[C@@H](CNC(=O)[C@H]1CCNC1=O)N=c1cc[nH]c(C#N)n1 1103259639 PGPVUHLAWWVYDH-UWVGGRQHSA-N 302.338 -0.787 30 20 DBED CC(C)[C@@H](CNC(=O)CNC(N)=O)Nc1nccnc1C#N 1105105817 FFJPINOBIGYQBC-SNVBAGLBSA-N 305.342 -0.431 30 20 DBED N#Cc1nccnc1NC[C@H]1CCC[C@H]1NC(=O)CNC(N)=O 1105655611 RAFSXKNOTUGJIA-NXEZZACHSA-N 317.353 -0.287 30 20 DBED C=CCNC(=O)CNC[C@@H]1CN(C(=O)CC(=O)NCC)C[C@H]1C 1106033265 IPXGQFDMFAGIJU-CHWSQXEVSA-N 324.425 -0.501 30 20 DBED Cc1cc(C#N)nc(NC[C@H](O)CNC(=O)c2[nH]nnc2C)n1 1106035997 QHEAGIIDSIXNQB-SNVBAGLBSA-N 316.325 -0.714 30 20 DBED CN1CC[C@@H](C(=O)NC[C@H](O)CNc2ccc(C#N)cn2)C1=O 1106064357 SNKAXLZFEDIPQF-NEPJUHHUSA-N 317.349 -0.679 30 20 DBED CCc1oncc1C(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1 1106126469 MPXODUKHPZSMLS-SECBINFHSA-N 316.321 -0.477 30 20 DBED C#CCN1CC(n2cc(CNC(=O)C[C@@](C)(O)C=C)nn2)C1 1107164083 PDMCZQCFLZODAB-HNNXBMFYSA-N 303.366 -0.289 30 20 DBED C[C@H](O)CN1CCO[C@](C)(CNC(=O)CSCC#N)C1 1107754158 RUDWTODQHVWPTG-WCQYABFASA-N 301.412 -0.169 30 20 DBED Cn1cnnc1CN1CCO[C@](C)(CNC(=O)C#CC2CC2)C1 1107932036 FCSILAYSTNZUIH-MRXNPFEDSA-N 317.393 -0.064 30 20 DBED C[C@H](CN=c1cc[nH]cc1C#N)NC(=O)[C@@H]1CCS(=O)(=O)C1 1108001185 TVRXCAKOIWYREI-GHMZBOCLSA-N 322.390 -0.274 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)[C@@H]2CCCN(C(N)=O)C2)C1 1108057586 ILBBDRCLWJFYJQ-CJNGLKHVSA-N 322.409 -0.383 30 20 DBED C=CCN1CCO[C@](C)(CNC(=O)c2cn(C)c(=O)cn2)C1 1108085319 WWWJADBKAANUJC-OAHLLOKOSA-N 306.366 -0.213 30 20 DBED C[C@@H](CN=c1cc[nH]cc1C#N)NC(=O)COCCN(C)C 1108453532 FPWNLQYPEBLODF-LBPRGKRZSA-N 305.382 -0.130 30 20 DBED C=CCNC(=O)CN1CC(N2C[C@H](NC(=O)C3CC3)CC2=O)C1 1108493772 YBKCCEBPWIKLHU-GFCCVEGCSA-N 320.393 -0.900 30 20 DBED C=CCOCCN1CC(N2C[C@H](NC(=O)COC)CC2=O)C1 1108493858 ACJREHKBALJZBI-GFCCVEGCSA-N 311.382 -0.763 30 20 DBED CC#CCN1CC(N2C[C@@H](NC(=O)[C@H](OC)C3CC3)CC2=O)C1 1108539272 ZMVSYXYSPBBVPS-XJKSGUPXSA-N 319.405 -0.164 30 20 DBED C[C@@H](CN(C)c1nccnc1C#N)NC(=O)[C@H]1COC(=O)N1 1108926687 IOMDDSBWWFPJJE-WCBMZHEXSA-N 304.310 -0.602 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)N1CCOCC1 1109080316 QODAQXDXDOZIFN-CRWXNKLISA-N 320.393 -0.274 30 20 DBED N#Cc1cnc(NC[C@H](NC(=O)Cn2nccn2)C2CC2)cn1 1109912637 KKRFTIIDDBIGLC-LBPRGKRZSA-N 312.337 -0.053 30 20 DBED N#Cc1c[nH]ccc1=NC1(CNC(=O)[C@H]2COC(=O)N2)CC1 1110121692 KDHHEZNHRFHUPW-LLVKDONJSA-N 301.306 -0.456 30 20 DBED CC(=O)N[C@H](C)C(=O)N[C@]1(C)CCN(c2nccnc2C#N)C1 1110716438 BITWRZAACPUYCE-MEBBXXQBSA-N 316.365 -0.042 30 20 DBED N#Cc1cccnc1NC1(CNC(=O)C(N)=O)CCOCC1 1110999834 JXKAPAHZZZLADJ-UHFFFAOYSA-N 303.322 -0.484 30 20 DBED COC[C@H](C)C(=O)N(C)[C@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1111175421 DPSDTNURWMPXBF-SRVKXCTJSA-N 319.365 -0.361 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CCN(c2nccnc2C#N)C[C@H]1C 1112400676 PQOLYUSXAMOZIN-GHMZBOCLSA-N 316.365 -0.185 30 20 DBED CC(=O)NCC(=O)N[C@H]1CCN(c2nccnc2C#N)[C@@H](C)C1 1112467561 PKTLKCIZCNVAJJ-JQWIXIFHSA-N 316.365 -0.042 30 20 DBED COCCCC(=O)NC[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1O 1112704824 IMEXTYCEMQOMNQ-DGCLKSJQSA-N 319.365 -0.312 30 20 DBED Cc1nccc(N2C[C@H](O)[C@H](CNC(=O)CSCC#N)C2)n1 1112727012 YVQRJGKSQAEXKF-NEPJUHHUSA-N 321.406 -0.045 30 20 DBED Cc1nccc(N2C[C@@H](O)[C@@H](CNC(=O)CSCC#N)C2)n1 1112727013 YVQRJGKSQAEXKF-NWDGAFQWSA-N 321.406 -0.045 30 20 DBED C#CCC1(C(=O)N2CCN([C@H](C)C(=O)NC(N)=O)CC2)CCC1 1112950788 FMVWAAIYDNOCHO-GFCCVEGCSA-N 320.393 -0.092 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)c2nonc2C)CC1 1113727510 YNCHQMRXEJQEMK-LLVKDONJSA-N 307.354 -0.173 30 20 DBED C[C@H](CNC(=O)C[C@H]1CCNC1=O)N(C)c1cnc(C#N)cn1 1113755415 CIIDEBVGOWVOEG-GHMZBOCLSA-N 316.365 -0.185 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3cnc(C)[nH]3)[C@H]2C1 1114038370 PIYXOPONFZYYCO-QWRGUYRKSA-N 301.350 -0.872 30 20 DBED CCCn1nnnc1CN1C[C@H]2[C@H](NC(=O)[C@@H](C)C#N)[C@H]2C1 1114067644 UXPDLPGLKQUWBX-MEWQQHAOSA-N 303.370 -0.211 30 20 DBED C=C[C@](C)(O)CC(=O)NC1[C@@H]2CN(CC(=O)N(C)C3CC3)C[C@@H]12 1114189159 KARNRWGFRXSCRJ-XNJGSVPQSA-N 321.421 -0.019 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)CCCN(C)C)[C@H]2C1 1114743965 UBFFIJSHBUVQJX-VIKVFOODSA-N 308.426 -0.323 30 20 DBED C#CCN1C[C@H]2C(NC(=O)CNC(=O)C3CCOCC3)[C@@H]2C1 1114988687 JWJKILLMHRNYAR-CHWSQXEVSA-N 305.378 -0.791 30 20 DBED C[C@@H](CCCN=c1cc[nH]c(C#N)n1)NC(=O)[C@@H]1CNC(=O)N1 1115061646 AQZGRCPYQPLEIR-UWVGGRQHSA-N 317.353 -0.852 30 20 DBED N#Cc1cnc(NCCCOCCNC(=O)c2cnn[nH]2)cn1 1115456904 NEAUIHNAPGCFND-UHFFFAOYSA-N 316.325 -0.285 30 20 DBED C[C@H](CN(C)C(=O)c1cnn(C)c1N)N=c1cc[nH]c(C#N)n1 1115717588 JBXGLRBSDJRHAT-SECBINFHSA-N 314.353 -0.342 30 20 DBED C#CCNC(=O)C1CCN(C(=O)C[C@H]2SC(=N)NC2=O)CC1 1116937603 FNIZRZAKTZWTSN-SNVBAGLBSA-N 322.390 -0.469 30 20 DBED Cc1nc(C)c(NC(=O)C(=O)NCCn2cnc(C#N)n2)s1 1117461795 OKEQAGDUQUVRCX-UHFFFAOYSA-N 319.350 -0.022 30 20 DBED C=C[C@@H]1CCCCN1C(=O)C(=O)N1CCN2C(=O)NC[C@@H]2C1 1117912934 VZHKRMOLCUIMCB-VXGBXAGGSA-N 306.366 -0.211 30 20 DBED Cc1nsc(N[C@H](CO)CNC(=O)[C@H]2CCC(=O)N2)c1C#N 1121236237 XNCFAKNRPUABTD-WCBMZHEXSA-N 323.378 -0.509 30 20 DBED N#Cc1ccc(C(=O)NC[C@H](CO)N=c2cc[nH]c(C#N)n2)[nH]1 1121316875 FOTPWKQGWIRFEI-SNVBAGLBSA-N 311.305 -0.827 30 20 DBED Cc1[nH]nc(C(=O)NC[C@@H](CO)Nc2ccc(C#N)nc2)c1O 1121455330 POZFJTURINEMAM-NSHDSACASA-N 316.321 -0.107 30 20 DBED CCN(CC)CC(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1 1121658904 MISHLXJXYVACQT-NSHDSACASA-N 306.370 -0.999 30 20 DBED CNC(=O)CC(=O)N(C)C[C@H](O)CNc1ncc(C#N)cc1F 1124257047 PEXFDXUFKKEDSM-SNVBAGLBSA-N 323.328 -0.540 30 20 DBED N#Cc1ccc(CNCCNC(=O)Cn2cnnc2O)cc1 1126026928 JIAAGNRPLSYAFG-UHFFFAOYSA-N 300.322 -0.239 30 20 DBED C[C@H](NC(N)=O)C(=O)N(C)C1CC(Nc2nccnc2C#N)C1 1126920238 NLJKURAHJLHHGH-IDKOKCKLSA-N 317.353 -0.194 30 20 DBED C#CCO[C@H](C)C(=O)NCCNCC(=O)Nc1nccs1 1127039254 GOYMWWCDHYEYAC-SNVBAGLBSA-N 310.379 -0.174 30 20 DBED N#Cc1cnc(N2CC=C(CNC(=O)Cc3nc[nH]n3)CC2)cn1 1127690371 NKJYNWFKHZLDDD-UHFFFAOYSA-N 324.348 -0.038 30 20 DBED C#CCCN[C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@@H]1n1ccnn1 1129899735 JSJLJIOSTGSSFK-NEPJUHHUSA-N 318.381 -0.846 30 20 DBED C=CCCOCC(=O)N1C[C@H](n2ccnn2)[C@H](NC[C@@H](C)O)C1 1130151289 MMRNOFKVSOXUNR-MCIONIFRSA-N 323.397 -0.407 30 20 DBED C#CCN1CCOC[C@@H]1c1n[nH]c(CNC(=O)C[C@H](C)OC)n1 1130831553 KAYGGTYKGMWHQD-NWDGAFQWSA-N 321.381 -0.148 30 20 DBED C#CCOCCC(=O)NCc1nc([C@@H]2COCCN2CC)n[nH]1 1130845640 LNHWVJNOPUENMQ-LBPRGKRZSA-N 321.381 -0.146 30 20 DBED COCC#CCNC[C@H]1CN(C(=O)C2(C(N)=O)CC2)CC[C@@H]1C 1133084846 ZBPGMTAWGSWBLR-KBPBESRZSA-N 321.421 -0.024 30 20 DBED Cc1cnc(C(=O)N[C@@H](C)C[C@@H](C)NCC(=O)NCC#N)cn1 1133579065 XTNFRKYDWDQDMG-MNOVXSKESA-N 318.381 -0.089 30 20 DBED C=CCn1cc(C(=O)NCCNCc2cncc(OC)n2)nn1 1134973100 DCWWSXSFHFYJKP-UHFFFAOYSA-N 317.353 -0.218 30 20 DBED C#CCCN1CCCO[C@H](CNC(=O)CCc2cnn[nH]2)C1 1150357440 PITHOUIMSBJDBV-CQSZACIVSA-N 305.382 -0.032 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)CCn1cc(C)cn1 1152377339 SJQKBIODASWOEJ-CYBMUJFWSA-N 305.382 -0.575 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)[C@@H]1CCNC(=O)C1 1152733704 HNKSHIZKTLKWMI-CHWSQXEVSA-N 322.409 -0.911 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H](C)NC(=O)C1CCC1 1153700349 UDKAJKCKSSKVTJ-VXGBXAGGSA-N 322.409 -0.865 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(C)Cc1nnc2c(=O)[nH]ccn12 1153725575 KRIXXTUBGNRBQM-ZJUUUORDSA-N 303.322 -0.033 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)c2cnnn2C)C1=O 1157342834 CCRMXLNXACHHLC-NSHDSACASA-N 306.370 -0.689 30 20 DBED C#CCNC(=O)CNCC1(CCNC(=O)[C@@H](C)COC)CC1 1163784814 OBXGBAOUJLFGQH-ZDUSSCGKSA-N 309.410 -0.106 30 20 DBED C[C@@H](C(=O)NCCC1(CNCC#N)CC1)N1C(=O)CCC1=O 1165324456 HRAIQRIUSYIPDR-NSHDSACASA-N 306.366 -0.076 30 20 DBED C[C@H](Oc1ccccn1)C(=O)NCCCNCC(=O)NCC#N 1171383114 CUVLHLHABLJZNZ-LBPRGKRZSA-N 319.365 -0.415 30 20 DBED C#CCNCCCC[C@@H](C)NC(=O)CS(=O)(=O)CCOC 1171545644 FBWKIHADYADQPV-CYBMUJFWSA-N 318.439 -0.055 30 20 DBED C#CCCN[C@H]1CCN(C(=O)CN2CCCS2(=O)=O)[C@H]1C 1178835926 ZTUYNRBKVJMFFE-STQMWFEESA-N 313.423 -0.376 30 20 DBED C#CCCN[C@@H]1CCN(C(=O)CS(=O)(=O)CCOC)C1 1183700299 DERZTJNGJGTJHD-GFCCVEGCSA-N 302.396 -0.739 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)[C@@H]3CC3(F)F)[C@@H]2C1 1187772272 UWTPEJNZHHAEOU-SDDRHHMPSA-N 311.332 -0.076 30 20 DBED C=CCN1CC[C@@H](N(C)[C@H]2CCN(C(=O)CNC(C)=O)C2)C1=O 1188693003 IBBOFYKSUKXSPY-UONOGXRCSA-N 322.409 -0.558 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2cnnn2C)C1 1189944032 JYOGSGZLASNGIG-NSHDSACASA-N 306.370 -0.736 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)Cc2nnc(C)o2)C1 1189963074 JTOWPLIPWGWLPS-GFCCVEGCSA-N 321.381 -0.245 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)c2snnc2C)C1 1190983123 HCTDGZRYTZCLLN-GHMZBOCLSA-N 310.379 -0.729 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)CC(F)(F)F)C1 1191492790 WGXWRDVSTLMLHQ-IVZWLZJFSA-N 323.315 -0.209 30 20 DBED N#Cc1ccc(F)c(CN2C[C@@H](O)[C@H](NC(=O)CC(N)=O)C2)c1 1191979759 VHOZGQRNKKPKER-CHWSQXEVSA-N 320.324 -0.766 30 20 DBED COCC#CCN(C)[C@@H]1CCN(C(=O)CCc2cnn[nH]2)C1 1192406594 KSFVGHJUQINIAN-CQSZACIVSA-N 305.382 -0.080 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2ccn(CC)n2)C1 1192671448 KRIFKNJFMDPXPC-CYBMUJFWSA-N 317.393 -0.201 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(CC(=O)N[C@H](C)C2CC2)C[C@H]1O 1192805142 SVGWRAOXUFXZIP-BPLDGKMQSA-N 321.421 -0.278 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2nccn2C)C[C@H]1O 1192844551 XUGGGSWFQPWDPK-YNEHKIRRSA-N 306.366 -0.880 30 20 DBED C#CCC1(C(=O)N[C@@H]2CN([C@H]3CCNC3=O)C[C@H]2O)CCC1 1193686326 YWTCDMNSQGJZKG-FRRDWIJNSA-N 305.378 -0.770 30 20 DBED C=CCOCCN1CCCN(C(=O)CS(C)(=O)=O)CC1 1195053387 IPECBFMIWSKXFC-UHFFFAOYSA-N 304.412 -0.232 30 20 DBED Cn1nccc1CC(=O)N1CCCN(CC(=O)NCC#N)CC1 1195625595 NTIJNTHSTOVJPI-UHFFFAOYSA-N 318.381 -0.863 30 20 DBED CC(C)C#CC(=O)N1CCCN([C@H]2CCC(=O)NC2=O)CC1 1195775300 UTYYRRFIAFXAAO-ZDUSSCGKSA-N 305.378 -0.015 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)NS(C)(=O)=O)C1 1196429459 MEUVPGZWMSWXKD-IJLUTSLNSA-N 319.427 -0.948 30 20 DBED C=CCO[C@H](C)C(=O)N1CCCN(Cc2nc(=O)n(C)[nH]2)CC1 1198337347 NTNSYUROHSKAJA-GFCCVEGCSA-N 323.397 -0.266 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)CCC(=O)N(CC)CC)C1 1198950842 YFCCZNDLEVZQMN-ZIAGYGMSSA-N 309.410 -0.180 30 20 DBED C#CCNC(=O)CNC[C@H]1CN(C(=O)C#CC(C)C)CCCO1 1200461217 GAZRNRSGGNWELH-HNNXBMFYSA-N 319.405 -0.398 30 20 DBED CC#CCNCC1CCN(C(=O)[C@@H](C)NC(=O)COC)CC1 1205381323 JGHRTBSBOYVLIE-CYBMUJFWSA-N 309.410 -0.011 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)[C@H](C)NC(C)=O)[C@H](C)C1 1205858833 KPLIZZRYIHPDCN-NTZNESFSSA-N 310.398 -0.750 30 20 DBED C#CCNCC1CCN(C(=O)[C@H]2CN(C(C)=O)CCO2)CC1 1206905829 PTSFGRPWIGZSEE-OAHLLOKOSA-N 307.394 -0.305 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCCN(C(=O)c2cnns2)C1 1207506230 GWKXOUDYRBVHSM-QWRGUYRKSA-N 321.406 -0.130 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 1209737765 YHFPFCHXEODFSH-SYQHCUMBSA-N 320.393 -0.226 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2ccncc2)[C@H](OC)C1 1211762005 UYCVMHJSXIKDID-ZIAGYGMSSA-N 316.361 -0.740 30 20 DBED CCn1ccnc1C(=O)N[C@@H]1CN(CC#CCOC)C[C@H]1OC 1212183098 RKUJOTDIJFRURO-ZIAGYGMSSA-N 320.393 -0.018 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2cnnn2C)C[C@H]1OC 1212257449 CCIRUJVZBIVSNR-IACUBPJLSA-N 321.381 -0.831 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)[C@]2(C)C=CCC2)[C@H](OC)C1 1213272960 ATLMHOJYQBARFJ-CKEIUWERSA-N 319.405 -0.093 30 20 DBED CC(=O)NCCOCCN[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1C 1214338080 JMAQMPQEXDPJML-OUCADQQQSA-N 310.398 -0.265 30 20 DBED CC(C)[C@@H](C)NC(=O)CN1C[C@H](O)[C@H](NC(=O)C#CC2CC2)C1 1219591479 GXZCFPOLBZDEEI-YUELXQCFSA-N 321.421 -0.278 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCN(C)[C@@H]2C)C1 1219656070 JMAHMFCZKNFUNS-TUVASFSCSA-N 311.426 -0.310 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@@]2(CC(C)C)CCNC2=O)C1 1219827799 NDKYHLCZUKKDBI-JKIFEVAISA-N 321.421 -0.277 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@@](C)(NC(C)=O)C(C)C)C1 1221129397 CKSWCPFFZSUHPY-YCPHGPKFSA-N 309.410 -0.278 30 20 DBED C=CCCCN1C[C@H](O)[C@H](NC(=O)C[C@@H]2CC(=O)NC2=O)C1 1221200138 HQWCCIXTVFVLNA-UTUOFQBUSA-N 309.366 -0.833 30 20 DBED CCO[C@H](C)C(=O)NCC1CCN(CC(=O)NCC#N)CC1 1222450447 FUBMMDRNEMRZFH-GFCCVEGCSA-N 310.398 -0.121 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC(NC(=O)c2ccnn2C)CC1 1226456029 LSTNWTDOYWBRET-GFCCVEGCSA-N 317.393 -0.248 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)Cn1cc(C)cn1 1230976174 JPKXHCFLURWYME-CQSZACIVSA-N 317.393 -0.526 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)Cc1cc(C)[nH]n1 1233673550 FYZZVOQILGIMSZ-AWEZNQCLSA-N 317.393 -0.457 30 20 DBED CCO[C@@H](C(=O)N(C)C[C@@H]1CCN1CC(=O)NCC#N)C1CC1 1234333109 JAOCNHOHJVLXCD-DZGCQCFKSA-N 322.409 -0.026 30 20 DBED COC[C@@H](NC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1)C(C)C 1261924744 DHJHBDJHNIOVJP-UONOGXRCSA-N 322.409 -0.028 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 1321003504 KAVJKPFBFLFJFJ-JSGCOSHPSA-N 316.423 -0.355 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1ccccc1 1322135919 DPNHSNLOYYLCST-NSHDSACASA-N 324.358 -0.354 30 20 DBED N#CCn1cc(NC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)cn1 1322805880 RUMPZKBGGBSVGN-LBPRGKRZSA-N 316.365 -0.054 30 20 DBED C#CCSCCNC(=O)C(=O)N1CCC(NC(C)=O)CC1 1323112081 BBWJQKZLFZLSMS-UHFFFAOYSA-N 311.407 -0.404 30 20 DBED N#Cc1ccc(CNC(=O)NCCCN2C(=O)CNC2=O)nc1 1324723376 URHOOIBGIINOKD-UHFFFAOYSA-N 316.321 -0.306 30 20 DBED C#CCN1CCC[C@@H](NC(=O)NC[C@H](O)Cn2ccnn2)C1 1330934104 IHCGQCGYMCJRBS-OLZOCXBDSA-N 306.370 -0.964 30 20 DBED C=CCOC[C@H](NC1CCN(S(C)(=O)=O)CC1)C(=O)O 1331934225 LKLCJYASDJXKPZ-NSHDSACASA-N 306.384 -0.344 30 20 DBED CN1CCCN(CCCNC[C@H](O)CN(C)CCC#N)CC1 1335369262 UCWXXQWTVWUNSA-INIZCTEOSA-N 311.474 -0.190 30 20 DBED C#CCNC(=O)C1CCN(c2nnnn2[C@H]2COC[C@@H]2C)CC1 1335864625 PHXYSFJRFJLFCE-AAEUAGOBSA-N 318.381 -0.154 30 20 DBED C#Cc1ccc(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)OC)nc1 1339119807 UOBCRVKPNYNJBQ-GFCCVEGCSA-N 322.342 -0.525 30 20 DBED C#CCN1CCN(c2nnc([C@]3(C)CNC(=O)C3)n2CC)CC1 1343021717 RXFOVNNXRARALK-INIZCTEOSA-N 316.409 -0.169 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)N2CC[C@@H]([C@@H]3CCOC3)C2)C1 1345972174 LLSPCPSOLWPSCF-IOASZLSFSA-N 321.377 -0.252 30 20 DBED C#CCSCCNC(=O)C(=O)N1CCN2CCOC[C@@H]2C1 1346610636 OIWVSPRMKIXSFF-LBPRGKRZSA-N 311.407 -0.988 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2C[C@@H](C)C[C@@H](CO)C2)nn1 1349046429 UBCLERBTMYGUII-NWDGAFQWSA-N 321.381 -0.443 30 20 DBED C#CC1CCN(C(=O)C(=O)N[C@@H](C)[C@H]2CN(C)CCO2)CC1 1349247507 ABGFMYRSVOKYQF-GXTWGEPZSA-N 307.394 -0.307 30 20 DBED N#Cc1ncn(CC(=O)N[C@@H]([C@@H]2CCCO2)C2(CO)CCC2)n1 1362848359 REFISYPXDBLVAN-FZMZJTMJSA-N 319.365 -0.024 30 20 DBED C[C@]1(CO)C[C@H](O)CN1C(=O)CNC(=O)c1ccc(C#N)cc1 1364088040 DWQJCYTYLOEHBO-XJKSGUPXSA-N 317.345 -0.368 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N[C@@H]1CCc2nnnn2CC1 1364885732 GVUIDYGTIXUQDR-VHSXEESVSA-N 313.387 -0.554 30 20 DBED C[C@H](CNCC(=O)Nc1nncs1)CNC(=O)[C@H](C)C#N 1373991488 VXGUQJBLSFQJPX-RKDXNWHRSA-N 310.383 -0.022 30 20 DBED CNC(=O)NC(=O)[C@@H](C)N(C)C1CCN(C(=O)[C@H](C)C#N)CC1 1394386529 JJPXDQWKOPLAKV-GHMZBOCLSA-N 323.397 -0.087 30 20 DBED CO[C@H](C(=O)NC1CN(C(=O)[C@H](C)C#N)C1)c1cnn(C)c1 1398651802 SOXOXNMAJNNDIM-SKDRFNHKSA-N 305.338 -0.406 30 20 DBED C[C@@H](C#N)C(=O)NCC1CN(CC(=O)NC[C@@H]2CCCO2)C1 1400472823 OBUGZSBWLMZFGB-AAEUAGOBSA-N 308.382 -0.511 30 20 DBED CC(=O)N[C@@H](C)C(=O)N1CC2(CCN(C(=O)[C@@H](C)C#N)C2)C1 1405975254 KHQVKPLTEIHZBX-QWRGUYRKSA-N 306.366 -0.268 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CCN(C(=O)c2cc(=O)n(C)cn2)C1 1407133100 XQWMWFREENPVSF-VHSXEESVSA-N 303.322 -0.729 30 20 DBED C[C@H](C#N)C(=O)N(CCNC(=O)CCn1cnnn1)C1CC1 1408938454 RIKWMFYVKBAMPU-SNVBAGLBSA-N 305.342 -0.670 30 20 DBED CC(C)c1nnnn1CC(=O)N1CC(NC(=O)[C@H](C)C#N)C1 1409101460 QCYYPISAQJPEBL-SECBINFHSA-N 305.342 -0.717 30 20 DBED N#CC1(C(=O)N2CCC[C@@H](CS(N)(=O)=O)C2)CCOCC1 1412053531 WKUFSDTZXRZGRT-LLVKDONJSA-N 315.395 -0.166 30 20 DBED N#Cc1cn(CC(=O)N2CCC[C@H]2[C@@H]2CCCO2)c(=O)nc1O 1412108893 JMMOFKZPOGLRQU-RYUDHWBXSA-N 318.333 -0.009 30 20 DBED C[C@H](CNC(=O)c1cccn2nnnc12)NC(=O)[C@H](C)C#N 1431727845 BDSIDPAQSGNUGB-RKDXNWHRSA-N 301.310 -0.482 30 20 DBED CCN1CCO[C@H](C(=O)NCCN(C(=O)[C@@H](C)C#N)C2CC2)C1 1431885976 LUBALVXAWHCYSR-JSGCOSHPSA-N 322.409 -0.026 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)N[C@H](CO)[C@@H]2CCOC2)cc1 1433869493 SBIGLEXCLCNHMJ-ZIAGYGMSSA-N 317.345 -0.198 30 20 DBED CCn1nc(C(=O)N2CC(CNC(=O)[C@H](C)C#N)C2)ccc1=O 1450718141 ZBTQOWAZUQJASD-SNVBAGLBSA-N 317.349 -0.389 30 20 DBED C[C@@H](NC(=O)CCn1cc(C#N)c(O)nc1=O)c1nccn1C 1454240791 JDLIKVQHFUWNSE-SECBINFHSA-N 316.321 -0.178 30 20 DBED Cc1occc1C(=O)NCC(=O)N1CC(NC(=O)[C@H](C)C#N)C1 1456397131 QVXCKZHHYOCVHO-SECBINFHSA-N 318.333 -0.196 30 20 DBED CC#CCCCC(=O)N[C@H]1CCCN(CC(=O)NC(N)=O)C1 1490445933 RLLLLNMBIYOTJR-LBPRGKRZSA-N 308.382 -0.045 30 20 DBED C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)CCn1cncn1 1494662172 JWJDIEVYPFXKJB-JTQLQIEISA-N 315.337 -0.197 30 20 DBED CC(=O)N[C@@H](C)C(=O)NC[C@H](C)CNC(=O)c1ccc(C#N)[nH]1 1500057516 NJLXCKYNRBLTDS-UWVGGRQHSA-N 319.365 -0.107 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)[C@H]2CCCCN2C(N)=O)CC1 1506212874 KZFQDTQFNVWQQB-GHMZBOCLSA-N 321.381 -0.156 30 20 DBED N#Cc1ccc(N2CCN(C(=O)[C@H](O)CC(=O)O)CC2)cn1 1574250006 QNGYSXSMFRKSGT-GFCCVEGCSA-N 304.306 -0.563 30 20 DBED N#Cc1ncn(C[C@](O)(C(N)=O)c2ccccc2)c1-c1nn[nH]n1 1581885824 NWZJGWIJQCAPMR-CQSZACIVSA-N 324.304 -0.692 30 20 DBED C#CCN(CC(=O)O)c1nnc(C2(C#N)CCOCC2)n1C 1588426926 HDQIRHORPQIROT-UHFFFAOYSA-N 303.322 -0.089 30 20 DBED C#CCCNC1CCN(CCNC(=O)[C@@H]2C[C@@H]2C(=O)O)CC1 1588453719 OWUJEZJWLIGWNM-KGLIPLIRSA-N 307.394 -0.099 30 20 DBED C#CCN1CCN(S(=O)(=O)c2cncc(C(=O)O)c2)CC1 1588479203 CPHSIZWGQDRKQF-UHFFFAOYSA-N 309.347 -0.281 30 20 DBED C=C[C@H](CO)NCCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 1588728639 UFUZNFNRPPYANR-LLVKDONJSA-N 323.378 -0.223 30 20 DBED CCN(CCC#N)S(=O)(=O)N1C[C@@H](O)C[C@@H](C(=O)O)C1 1596299688 VLHJUCZGSFESPE-ZJUUUORDSA-N 305.356 -0.766 30 20 DBED COCc1n[nH]c(CNC(=O)N2CCC(C#N)(C(=O)O)CC2)n1 1599306213 JTRUVWNRCFQETH-UHFFFAOYSA-N 322.325 -0.149 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC[C@H](N=c2cc[nH]c(C(=O)O)n2)C1 1602809304 FGLQDIVEDJXOJD-BONVTDFDSA-N 320.349 -0.063 30 20 DBED CO[C@@H]1CN2[C@](C)(C1)C(=NNCCC(=O)O)CS2(=O)=O 1604504566 COSUHZZTUOBPJC-GZMMTYOYSA-N 305.356 -0.771 30 20 DBED CC1(C)NC(=O)N(CCn2cc(C(=O)O)cc(C#N)c2=O)C1=O 1609819207 CRSKGRPWEVKVQE-UHFFFAOYSA-N 318.289 -0.251 30 20 DBED Cc1c(NC(=O)C(=O)N(C)[C@H](C)CC#N)cnn1CC(=O)O 1610417721 PCOBUWHISINDHN-MRVPVSSYSA-N 307.310 -0.025 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC[C@@H](NC(=O)c2nonc2C)C1 1713986864 NDMWIWRHFZISEF-GHMZBOCLSA-N 307.354 -0.127 30 20 DBED N#CCNC(=O)CNC[C@@H]1CCCN(C(=O)Cc2ccon2)C1 1752793135 ADIPFGYQTZLOSD-LBPRGKRZSA-N 319.365 -0.315 30 20 DBED C#CCNC(=O)CN[C@@H](C)CNC(=O)c1cnc(C)nc1C 1752908811 UNBWRYKNLGMNCQ-JTQLQIEISA-N 303.366 -0.449 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H]1CCN(Cc2nncn2C)C1 1753124762 MHSVPPWFEYXVAZ-CHWSQXEVSA-N 305.382 -0.209 30 20 DBED C=CCNC(=O)CN1CC(NC(=O)c2cccc(OC)n2)C1 1753390601 URKVHBJMYKFZDW-UHFFFAOYSA-N 304.350 -0.194 30 20 DBED C=CCNC(=O)CN1CC[C@H](N(C)C(=O)Cc2nnc(C)o2)C1 1753435803 YRYYCWWMTOIQSW-LBPRGKRZSA-N 321.381 -0.245 30 20 DBED C#CCCN1CCO[C@H](CNC(=O)[C@@H](OC)c2cnn(C)c2)C1 1753651722 SOSYLEPWYZFHAJ-CABCVRRESA-N 320.393 -0.052 30 20 DBED C#CCNC(=O)CNC[C@H](O)CNC(=O)c1cc(Cl)c[nH]1 1753904599 MQCQEIDLEVZPTC-JTQLQIEISA-N 312.757 -0.902 30 20 DBED CC(C)n1cccc1C(=O)NC[C@@H](O)CNCC(=O)NCC#N 1753936632 BCBIKTCADJEXPG-LBPRGKRZSA-N 321.381 -0.611 30 20 DBED CCN(CCNCC(=O)NCC#N)C(=O)[C@@H]1C[C@H]2CC[C@H]1O2 1754037950 QFXGDJBCSUXIFQ-JHJVBQTASA-N 308.382 -0.368 30 20 DBED C=CCNC(=O)CN1CC[C@H]1CNC(=O)Cn1nccc1C 1754496938 YRMAZJLGGBOCMH-ZDUSSCGKSA-N 305.382 -0.316 30 20 DBED N#CCNC(=O)CNC1(CNC(=O)CCc2cccnc2)CC1 1754519910 WIBDNHRQVGJTFK-UHFFFAOYSA-N 315.377 -0.108 30 20 DBED O=C(C#CC1CC1)NC[C@@]1(O)CCN(CCN2CCCC2=O)C1 1754749847 YZNFTBZEXGBEQH-KRWDZBQOSA-N 319.405 -0.425 30 20 DBED C#CCCN1CCOC[C@H]1CNC(=O)Cn1ccc(C)cc1=O 1754972882 QYIYSEZOKUKBHF-OAHLLOKOSA-N 317.389 -0.003 30 20 DBED N#CCNC(=O)CN1CCC[C@@H](NC(=O)c2cnon2)CC1 1755031676 XNPHKOUCIUUTAV-SNVBAGLBSA-N 306.326 -0.706 30 20 DBED C#CCNC1(C)CCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)CC1 1755132890 TZZVTDRVXQUJPD-UHFFFAOYSA-N 320.349 -0.989 30 20 DBED Cn1ccc(C(=O)NC2CC(CNCC(=O)NCC#N)C2)n1 1755220644 ULUGBUHIPRNMMN-UHFFFAOYSA-N 304.354 -0.842 30 20 DBED C#CCNC(=O)CN1C[C@H](NC(=O)[C@H](OC)C2CC2)C(C)(C)C1 1755406396 DYCXJIYQGLNFEU-DZGCQCFKSA-N 321.421 -0.013 30 20 DBED CCC(=O)N[C@@H](C)C(=O)NC[C@H]1[C@@H]2CN(CC#CCOC)C[C@H]12 1755424592 ZYMQYYPMJQJRIT-ZQDZILKHSA-N 321.421 -0.155 30 20 DBED N#CCNC(=O)CNC[C@@H]1CC[C@@H](NC(=O)Cc2ccon2)C1 1755726624 HZSCRQXJYVYLQU-VXGBXAGGSA-N 319.365 -0.269 30 20 DBED Cc1cccnc1C(=O)N(C)C[C@@H](O)CNCC(=O)NCC#N 1755777996 PQDIYALLMVFAHC-LBPRGKRZSA-N 319.365 -0.948 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(C(=O)CC(=O)NC)CC1(C)C 1756175604 AEHVLXKKFFYXGK-GFCCVEGCSA-N 323.393 -0.484 30 20 DBED CCNC(=O)CCCC(=O)N[C@H](CO)CNC(=O)C#CC1CC1 1756519702 OBPRRRMNZUATPG-ZDUSSCGKSA-N 323.393 -0.701 30 20 DBED C=CCCC1(C(=O)N[C@@H](CO)CNC(=O)[C@H]2CCNC2=O)CC1 1756540494 NYCZUOOVYBFKRM-NEPJUHHUSA-N 323.393 -0.538 30 20 DBED C#CCCCC(=O)NC[C@H](O)CN(C)C(=O)Cn1cccn1 1756649470 MWVVPJAKLFHHNM-ZDUSSCGKSA-N 306.366 -0.378 30 20 DBED CO[C@H]1CCCN(c2nnc(Cn3cnc(C#N)n3)n2C)C1 1772148960 NAUWHZDKAZSSOL-JTQLQIEISA-N 302.342 -0.058 30 20 DBED COC[C@@]1(C(=O)O)CCCN(S(=O)(=O)N(C)CCC#N)C1 1777189123 YIYPXQAMNKDXPV-GFCCVEGCSA-N 319.383 -0.110 30 20 DBED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)C1(F)CC1)CCO2 1783566210 RIJBZOAUVPETTE-AWEZNQCLSA-N 324.308 -0.594 30 20 DBED C=CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)CC(N)=O)CCO2 1783914839 DOSTUKVXFMLTAY-BLLLJJGKSA-N 323.393 -0.096 30 20 DBED C#CC(=O)N1CCO[C@]2(CCN(C(=O)/C=C(/C)C(=O)O)C2)C1 1785417340 YYUMXQQXQXPFOJ-QIENPNARSA-N 306.318 -0.520 30 20 DBED CC(=O)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC#N)C2)C1 1834712615 PJIYZHOENLZUQH-HNNXBMFYSA-N 323.349 -0.664 30 20 DBED N#CCCC(=O)N1CC2(CCCN2C(=O)[C@@H](N)CCC(N)=O)C1 1842879653 VDFQZNQTXXYJIV-NSHDSACASA-N 321.381 -0.914 30 20 DBED Cn1c(NC[C@@H](CO)Cc2ccco2)c(C#N)c(=O)n(C)c1=O 24206479 KNCPDPNMAIHRQV-JTQLQIEISA-N 318.333 -0.188 30 20 DBED N#CCCNC(=O)COC(=O)CN1C(=O)COc2ccccc21 24778710 CPANZAHUJOGRPK-UHFFFAOYSA-N 317.301 -0.015 30 20 DBED C[C@@H](O)[C@H](NS(=O)(=O)c1cccc(F)c1C#N)C(=O)O 70393932 MNGOLGQTNQBXEO-LDWIPMOCSA-N 302.283 -0.190 30 20 DBED CC(C)[C@@H](C#N)N1CCN(C(=O)CN(CC(N)=O)C(C)C)CC1 92617020 XZMLKMCLOXNDBU-CQSZACIVSA-N 323.441 -0.126 30 20 DBED CCNC(=O)CN1CCN(S(=O)(=O)CCCC#N)CC1 104110553 NRZKBYDVXZNQDN-UHFFFAOYSA-N 302.400 -0.626 30 20 DBED C=CCn1c(SCCc2cn(CC(=O)OC)nn2)n[nH]c1=O 269419519 LLYBORJBOZXNEV-UHFFFAOYSA-N 324.366 -0.143 30 20 DBED CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H](O)CO 275569857 ATMHPNSDOPNTLU-LLVKDONJSA-N 321.333 -0.247 30 20 DBED COC(=O)[C@H]1COCCN1S(=O)(=O)c1cncc(C#N)c1 289367815 AWNFBTIVPUHLEA-LLVKDONJSA-N 311.319 -0.484 30 20 DBED CN1CCO[C@@H]2CN(/C(O)=N/CCN3C(=O)CCC3=O)C[C@H]21 329964581 UOXFRIGUWMLRRZ-GHMZBOCLSA-N 310.354 -0.936 30 20 DBED COC(=O)CN1CCN(S(=O)(=O)c2cccnc2C#N)CC1 331194658 WNQLDQBEMRKZEX-UHFFFAOYSA-N 324.362 -0.567 30 20 DBED CC(C)N1CC[C@@H](/N=C(/O)N(C[C@H](C)O)[C@@H](C)CO)C1=O 331300342 WCCRBCMNAXBIID-SDDRHHMPSA-N 301.387 -0.027 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N(C)[C@H](C)CS(C)(=O)=O 332439119 DPXZYBKPXPBVGI-VHSXEESVSA-N 311.429 -0.170 30 20 DBED CC(C)C(=O)NCCCNS(=O)(=O)N1CCO[C@H](C#N)C1 336887944 LBOXQTOENXTXHD-LLVKDONJSA-N 318.399 -0.793 30 20 DBED CCCN(CC(=O)OC)S(=O)(=O)N1CCO[C@@H](C#N)C1 336911293 IIIMKKVSLLKKBP-JTQLQIEISA-N 305.356 -0.659 30 20 DBED C[C@H]1[C@@H](C)N(C)CCN1S(=O)(=O)N1CCO[C@@H](C#N)C1 336936978 GNNBRUXFJFWKAI-WOPDTQHZSA-N 302.400 -0.520 30 20 DBED CC1(C)CCC[C@@]1(O)CNS(=O)(=O)N1CCO[C@H](C#N)C1 339019242 BEKBUJAGRYIFDM-DGCLKSJQSA-N 317.411 -0.014 30 20 DBED Cc1cc(C(=O)N[C@H](CO)C(N)=O)nn1-c1cccc(C#N)c1 341732002 QEGAIOJKIAIPIR-CYBMUJFWSA-N 313.317 -0.372 30 20 DBED COCC1(C#N)CCN(CC(=O)N2CCC[C@@H](C(N)=O)C2)CC1 341978423 ACWSZAXEQFVSRV-CYBMUJFWSA-N 322.409 -0.038 30 20 DBED CNC(=O)N1CCN(C(=O)CNc2ccc(C#N)cn2)CC1 347929198 UPQBYMLVWKEKMZ-UHFFFAOYSA-N 302.338 -0.151 30 20 DBED N#Cc1ccc(Cl)c(S(=O)(=O)N[C@@H](CO)C(N)=O)c1 352631324 VMNIVXBDKGJEEY-QMMMGPOBSA-N 303.727 -0.664 30 20 DBED COc1ccc(C(=O)N2CC(O)(CC#N)C2)cc1-n1cnnn1 356571006 CKFPTJXDSQGPMT-UHFFFAOYSA-N 314.305 -0.229 30 20 DBED CN(C(=O)C(=O)Nc1ccc(C#N)cc1F)[C@H]1COC[C@H]1O 356918610 OSIZYCOMSYZMHR-NWDGAFQWSA-N 307.281 -0.146 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 359882306 VRDNRLFHRFIHCO-UHFFFAOYSA-N 301.350 -0.054 30 20 DBED C=CCOC[C@@H](NS(=O)(=O)c1ccnn1C)C(=O)OC 360619019 KJNOWOGLINGVQC-SECBINFHSA-N 303.340 -0.557 30 20 DBED C=C[C@H](C)NC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 362586189 GRECUKKNFXTQGE-VIFPVBQESA-N 305.338 -0.486 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N[C@]1(C)CCS(=O)(=O)C1 407955162 QJNSDXPZHBVGPE-GHMZBOCLSA-N 323.440 -0.120 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2C[C@H](C)N[C@H](C)C2)nn1 424548505 PXUDMTKNBOZCEZ-PHIMTYICSA-N 306.370 -0.711 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)COC2CCCC2)CC1 491167326 XLLOPWOGYHCKJP-UHFFFAOYSA-N 307.394 -0.161 30 20 DBED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCC[C@@H]2CO)c1 521702997 YGSDWDSPDFHVIK-GFCCVEGCSA-N 323.374 -0.180 30 20 DBED C=CCN1CC[C@@H](N2CCN(C(=O)N3CCNCC3)CC2)C1=O 530222895 KDPYUSKNJUHTAN-CQSZACIVSA-N 321.425 -0.584 30 20 DBED COCCNC(=O)C1(NCc2cnc3c(C#N)cnn3c2)CC1 584530005 IRPIPKPRNMHLMZ-UHFFFAOYSA-N 314.349 -0.014 30 20 DBED C=CCNC(=O)NC(=O)CN1CCN(C(=O)N2CCCC2)CC1 591662283 NZIIAYHRKOEEHB-UHFFFAOYSA-N 323.397 -0.168 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1CC[C@@](O)(CC#N)C1 592077531 GCMVTEXZKOWBMJ-LBPRGKRZSA-N 316.383 -0.556 30 20 DBED CO[C@@H]1COC[C@H]1NCCS(=O)(=O)c1ccc(C#N)cn1 592154618 JLHUCSHXJQYJJI-VXGBXAGGSA-N 311.363 -0.270 30 20 DBED N#CCCN(CC(F)(F)F)C(=O)Cn1cnc(C(N)=O)n1 593075478 FKAAWNOTEWYQAN-UHFFFAOYSA-N 304.232 -0.318 30 20 DBED COC(=O)[C@@H]1CN(C(=O)NC2CCN(CC#N)CC2)C[C@H](C)O1 593338076 UHZGUJMWDRPBBQ-AAEUAGOBSA-N 324.381 -0.054 30 20 DBED CO[C@H]1CS(=O)(=O)C[C@H]1NS(=O)(=O)c1ccc(C#N)o1 594820951 FAFRKFMJMBEVFC-BDAKNGLRSA-N 320.348 -0.758 30 20 DBED Cc1cc(NC(=O)C2=NN3CCCN=C3N2)nn1CCC#N 597460652 UZTKHCQEGKHUPH-UHFFFAOYSA-N 300.326 0.022 30 20 DBED CN1CCC(NC(=O)C(=O)N2CCN(CCC#N)CC2)CC1 602224828 OGSMRKRLWNMDPK-UHFFFAOYSA-N 307.398 -0.745 30 20 DBED CC#CC[C@H](CO)NC(=O)C(=O)N=c1ccn(CCCOC)[nH]1 646952520 AGBZSVXWMRSZAV-GFCCVEGCSA-N 322.365 -0.830 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)COCCC=C)CC1 733150608 PUQQEWPZBGEJGB-UHFFFAOYSA-N 307.394 -0.137 30 20 DBED C#C[C@H](CC)NC(=O)N1CCN(C(=O)CN2CCOCC2)CC1 753242722 IMVRTMSPYICMDH-CQSZACIVSA-N 322.409 -0.416 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)CCCC(=O)OC)CC1 781084480 SFRPSPJVQISWOP-UHFFFAOYSA-N 323.393 -0.387 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)C(C)(C)S(C)(=O)=O 785991472 FUJZIXMMGGWAIN-QMMMGPOBSA-N 320.367 -0.247 30 20 DBED CN1CCC2(CC1)NC(=O)N(CN1CC[C@@](F)(C#N)C1)C2=O 786108746 SPKHTJAXIRABAD-CYBMUJFWSA-N 309.345 -0.102 30 20 DBED CC(C)[C@](C)(C#N)NC(=O)COC(=O)CCn1ncn(C)c1=O 815272565 WVBUNPGLKSXZPP-AWEZNQCLSA-N 323.353 -0.430 30 20 DBED N#Cc1ccc(OC[C@H](O)CNC[C@H]2CC(C(N)=O)=NO2)cc1 819252226 FWUQIQGSDCCSRJ-DGCLKSJQSA-N 318.333 -0.482 30 20 DBED C=CCS(=O)(=O)NC(=O)COc1cccc(-c2nn[nH]n2)c1 823932062 MOFFTSJKZSBIOF-UHFFFAOYSA-N 323.334 -0.123 30 20 DBED C#CCNC(=O)CN(c1ccc(C(=O)O)cc1)S(C)(=O)=O 825620040 SOHYETQZPSHWRJ-UHFFFAOYSA-N 310.331 -0.100 30 20 DBED C=CC[C@H](CO)CNS(=O)(=O)N1CCC(C(=O)O)CC1 833370461 KRWSPYBYDPEFCL-JTQLQIEISA-N 306.384 -0.198 30 20 DBED C#CCNS(=O)(=O)N1CCN(Cc2ccc(C)nc2)CC1 846838189 XCQBANFQAOKGLR-UHFFFAOYSA-N 308.407 -0.025 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)C1(n2cnnn2)CC1 849994468 DNIGIQBMFZITBH-QMMMGPOBSA-N 308.298 -0.894 30 20 DBED C#CC[C@H](CO)NC(=O)[C@@H](C)N1C(=O)NC2(CCCC2)C1=O 854547616 XAWFPSLUCKLMPI-GHMZBOCLSA-N 307.350 -0.260 30 20 DBED C#CC[C@H](NC(=O)c1sccc1S(N)(=O)=O)C(=O)OC 854910006 MEBXKGCOFDGKJJ-ZETCQYMHSA-N 316.360 -0.310 30 20 DBED Cc1ccc(C#N)cc1C(=O)OCC(=O)N1CCNC(=O)C1 924396500 RCSBMWVYZHHKOO-UHFFFAOYSA-N 301.302 -0.018 30 20 DBED C#CCO[C@@H](C)C(=O)Nc1ccn(CCN2CCNC2=O)n1 928630144 ISDBMWYLZMLKNX-NSHDSACASA-N 305.338 -0.115 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2ncn(C)n2)C1 936113442 IWDIRAOMEAIANX-UTUOFQBUSA-N 319.365 -0.263 30 20 DBED C[C@@H]1CN(CC#N)CC[C@@H]1NC(=O)c1cnc(O)n(C)c1=O 942552169 BXPOVLPFHNQIIW-KOLCDFICSA-N 305.338 -0.550 30 20 DBED C#CCCN1CC[C@@H](NC(=O)C2CC(=O)NC(=O)C2)[C@H](C)C1 943546809 DZYBGJQSHMFDKL-DGCLKSJQSA-N 305.378 -0.111 30 20 DBED C[C@@H]1C[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)CCN1CC#N 947371304 YPJZCZGPZXCIRZ-NEPJUHHUSA-N 319.365 -0.960 30 20 DBED CNC(=O)CN1CCOC2(CCN(C(=O)[C@H](C)C#N)CC2)C1 949320471 NUBKKKSMPLKQQM-GFCCVEGCSA-N 308.382 -0.415 30 20 DBED CC#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cc3n(n2)CCCO3)C1 958255230 WYMLKWBBXCWMAR-GXTWGEPZSA-N 318.377 -0.289 30 20 DBED C#Cc1cncc(C(=O)NC[C@H]2CN(CCCO)C[C@@H]2O)c1 958389313 DRKVSSWXLZHDPH-GJZGRUSLSA-N 303.362 -0.532 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2c(C)c[nH]c2CC(N)=O)C1 958409266 QDRAQRYOUUCJGU-YPMHNXCESA-N 318.377 -0.993 30 20 DBED COCCn1cc(C(=O)NC[C@H]2CN(CC#N)C[C@H]2O)cn1 958634952 DIESJLVNKDPERP-WCQYABFASA-N 307.354 -0.924 30 20 DBED C=CCN1CC[C@@H](NC[C@@H]2CCCCN2C(=O)CC(N)=O)C1=O 959935276 UPARBTKBBKJCBO-QWHCGFSZSA-N 322.409 -0.381 30 20 DBED C=C[C@](C)(CC)C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)CC(N)=O 960150507 BJTLQAMJQNUJPW-HWWQOWPSSA-N 323.393 -0.098 30 20 DBED C#CCCN1C[C@H]2[C@H](NC(=O)[C@@H]3CN(C(C)=O)CCO3)[C@H]2C1 962438661 PQGKFCAQBQTOGO-LJISPDSOSA-N 305.378 -0.697 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H](NC(=O)[C@H]2CCC(=O)N2C)C1 965988738 BKZAUEODVBYFBY-IJLUTSLNSA-N 306.366 -0.126 30 20 DBED CC#CCN1CC[C@H](C)[C@H](NC(=O)c2cnc(O)n(C)c2=O)C1 967702882 WQCYQHASNRBABS-WCQYABFASA-N 318.377 -0.051 30 20 DBED C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2cn(C)c(=O)nc2O)C1 968643742 QIWBSXBCFPRKEF-AAEUAGOBSA-N 318.377 -0.051 30 20 DBED N#CCN1CCO[C@]2(CCN(C(=O)C[C@H]3CCC(=O)NC3)C2)C1 972411425 ZRCYCQSZEYIEFU-CZUORRHYSA-N 320.393 -0.270 30 20 DBED CN(CC#N)[C@H]1CCN(C(=O)c2cn(C[C@H]3CCOC3)nn2)C1 972637073 FLDDMECQSIFBIT-OLZOCXBDSA-N 318.381 -0.016 30 20 DBED CN(C[C@H]1CCN1C(=O)C#CC1CC1)C(=O)[C@H]1CNC(=O)N1 978308258 SUZLAJJFQVOFET-VXGBXAGGSA-N 304.350 -0.860 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1[C@@H]2CN(CC(N)=O)C[C@@H]12 978827192 JNQAURCEWWTRGM-NHULGOKLSA-N 307.394 -0.253 30 20 DBED C=CCCN1C[C@H]2C(CNC(=O)C3CC(=O)NC(=O)C3)[C@@H]2C1 978864969 RMELOZLJCJTZJN-STQMWFEESA-N 305.378 -0.091 30 20 DBED N#CCN[C@@H]1CCC[C@H](NC(=O)CN2CCC(=O)NC2=O)C1 981441157 OEIBRZBEZRYOPP-MNOVXSKESA-N 307.354 -0.531 30 20 DBED C#CCN[C@@H]1CCN(C(=O)Cn2nc3n(c2=O)CCCC3)[C@@H]1C 987314623 VXSDFLQJIDROEJ-CHWSQXEVSA-N 317.393 -0.407 30 20 DBED COCCn1nc(C(=O)N2C[C@H](NCC#N)C[C@H]2C)ccc1=O 989140908 CMFNHESTBWDZHG-VXGBXAGGSA-N 319.365 -0.394 30 20 DBED C#CCCN1CCCN(C(=O)Cn2nc(C)n(C)c2=O)CC1 989586501 PXTLJWLJSXWFMH-UHFFFAOYSA-N 305.382 -0.552 30 20 DBED C[C@@H]1C[C@H](NCC#N)CN1C(=O)c1cc(=O)n2[nH]cnc2n1 989672506 LPEMHROSPGPTDR-BDAKNGLRSA-N 301.310 -0.866 30 20 DBED C#Cc1cncc(C(=O)NCc2cn(C3CN(C(C)=O)C3)nn2)c1 994715259 YDTXNTATXDOQOG-UHFFFAOYSA-N 324.344 -0.012 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)Cn3nccn3)C2)cn1 997101406 HQOKUHFDWZTXBG-UHFFFAOYSA-N 310.317 -0.705 30 20 DBED N#CCNC1CCN(C(=O)Cn2nc3n(c2=O)CCCC3)CC1 997174894 XEEMIKITMBGTIZ-UHFFFAOYSA-N 318.381 -0.515 30 20 DBED C#CCN[C@@H]1CCCN(C(=O)[C@@H]2CCc3nnnn3CC2)C1 1000250143 LSEPGDFMTQIXKI-CHWSQXEVSA-N 302.382 -0.161 30 20 DBED N#CCN[C@H]1CCCN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 1000480793 SSMCJXASGCIBRQ-JTQLQIEISA-N 315.337 -0.825 30 20 DBED C=CCN1CC=C(CNC(=O)C2CC3(C2)NC(=O)NC3=O)CC1 1001254608 ONAATMXSTSMEQB-UHFFFAOYSA-N 318.377 -0.091 30 20 DBED CN(C[C@@H]1CCCN1C(=O)C#CC1CC1)C(=O)[C@H]1CNC(=O)N1 1002490429 YRUAXBWBQHWYIQ-QWHCGFSZSA-N 318.377 -0.469 30 20 DBED C[C@@H](C#N)C(=O)N1CC(CNC(=O)[C@H]2CCCC(=O)N2C)C1 1003656522 YODNQKGXZFBWSR-CMPLNLGQSA-N 306.366 -0.268 30 20 DBED C[C@@H](C#N)C(=O)N1CC([C@@H](C)NC(=O)c2c[nH]c(C(N)=O)c2)C1 1006116282 HQYNXVPXJHHIOR-DTWKUNHWSA-N 317.349 -0.150 30 20 DBED C#CCCN1CC[C@@H](NC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 1015368074 HIEVSLROLQJYQV-YPMHNXCESA-N 301.350 -0.421 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)Cn2ncn3nccc3c2=O)C1 1015790160 YJTXSAQYNJKIAF-GFCCVEGCSA-N 316.365 -0.342 30 20 DBED CC1(C)NC(=O)N(CC(=O)N2[C@H]3CC[C@H]2CN(CC#N)C3)C1=O 1018238468 FNJYNOGTBDRKOR-QWRGUYRKSA-N 319.365 -0.484 30 20 DBED C#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)CN2C(=O)CNC2=O)C1 1021728670 AWNBICBBFRPPGN-QWHCGFSZSA-N 318.377 -0.516 30 20 DBED C=C(C)CN(C)[C@@H]1CCCN(C(=O)CN2CCNC(=O)C2)C1 1027519061 DIDLGYVBUFRBQZ-CQSZACIVSA-N 308.426 -0.083 30 20 DBED CC#CCN1CC[C@@H](N(C)C(=O)[C@H]2COCCN2C(C)=O)C1 1033677329 ZZGRUISJWZCYQV-HUUCEWRRSA-N 307.394 -0.210 30 20 DBED C#CCN1CCO[C@H](CNC(=O)c2cnc3[nH]c(O)nc3c2)C1 1035419531 QHSREMNEUIXOOB-LLVKDONJSA-N 315.333 -0.273 30 20 DBED C#CCCCC(=O)NC[C@@]1(O)CCN(C(=O)[C@H](C)OCC#C)C1 1039575899 HYRLILTVVYVNGE-YOEHRIQHSA-N 320.389 -0.092 30 20 DBED C=CC(C)(C)C(=O)NC[C@]1(O)CCN(C(=O)c2cnnn2C)C1 1040488348 LJXPKBXGBJORTH-OAHLLOKOSA-N 321.381 -0.280 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)c3cncnc3)C2)cn1 1040996064 STMPQQRMNMQUMO-ZIAGYGMSSA-N 310.317 -0.277 30 20 DBED C=CCCC(=O)N1CC[C@](O)(CNC(=O)Cc2cnc[nH]2)C1 1041035168 IBHLVCODXLSALO-HNNXBMFYSA-N 306.366 -0.002 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)CC2=CCOCC2)C1 1042046837 BFSDXGPWFYGVKB-UHFFFAOYSA-N 324.377 -0.385 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)/C=C\C2CC2)C1 1042324372 UWDUBDDZIVITNS-ZHRWSRJISA-N 306.362 -0.320 30 20 DBED N#Cc1ccc(C(=O)NCC2(O)CN(C(=O)c3cn[nH]c3)C2)[nH]1 1042608508 FAYXOJOISUGWHY-UHFFFAOYSA-N 314.305 -0.774 30 20 DBED C#CCCCCC(=O)NCC1(O)CN(C(=O)c2cn(C)nn2)C1 1042655549 QHOSTLHOABTHKN-UHFFFAOYSA-N 319.365 -0.688 30 20 DBED Cc1nnc(CC(=O)NCC2(O)CN(C(=O)C#CC(C)C)C2)o1 1042887611 RFOOKJUFFSKRPV-UHFFFAOYSA-N 320.349 -0.731 30 20 DBED C=CCN1CC(N(C)C(=O)Cn2nc3ccccn3c2=O)C1 1043500534 ZLUOLAMNHXPBBN-UHFFFAOYSA-N 301.350 -0.175 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)CN(C)C2CCC2)C1 1043530247 HVIYHZKRJSYPJQ-LLVKDONJSA-N 308.382 -0.680 30 20 DBED Cc1nn[nH]c1C(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@@H]1O 1044382328 JBNWXCHGAOVSAR-PWSUYJOCSA-N 313.321 -0.641 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)[C@@]2(F)CCOC2)C1 1045139063 XASFXUWKPAFKDX-CQSZACIVSA-N 300.330 -0.229 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)Cc2ccco2)C1 1045205172 QLRMBTJWBMSVEG-UHFFFAOYSA-N 320.345 -0.449 30 20 DBED C#CCN1[C@H]2CC[C@H]1CN(C(=O)[C@H]1CCS(=O)(=O)N1)CC2 1045893028 ZVYNUYMBDKWNLP-RWMBFGLXSA-N 311.407 -0.623 30 20 DBED N#Cc1cnc(N[C@H]2C[C@H](CNC(=O)[C@H]3COC(=O)N3)C2)cn1 1046809130 QSSXVKDLPYRGGX-FXPVBKGRSA-N 316.321 -0.237 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1C[C@H](CNC(=O)[C@@H]2CCNC2=O)C1 1046982771 RQYDPTXRIORTMV-RAIGVLPGSA-N 313.361 -0.182 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)Cc2ccnc(OC)c2)C1 1047528803 CRKIGKOQIQVUNB-KBPBESRZSA-N 303.362 -0.231 30 20 DBED C=CCCN1C[C@H](O)[C@@H](N(C)C(=O)Cn2ccccc2=O)C1 1047624767 YVFDBXOVRFAVOA-KBPBESRZSA-N 305.378 -0.072 30 20 DBED C#CCCCC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CCN(C)C2)C[C@@H]1O 1048753970 HXOTUHNFUXRBAT-ILXRZTDVSA-N 321.421 -0.228 30 20 DBED CC(=O)NCC(=O)N[C@H](C)[C@H]1CCN(C(=O)C#CC2CC2)C1 1050665415 JKVFZMHHZMAEPW-RISCZKNCSA-N 305.378 -0.111 30 20 DBED C#CCOCCC(=O)N1CC[C@@H]([C@H](C)NC(=O)CNC(N)=O)C1 1050728008 IOQIXQJUJITSMI-NWDGAFQWSA-N 324.381 -0.952 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)[C@@H]1CCCS1(=O)=O 1051256621 ZUCNKIQQUNTPOV-RYUDHWBXSA-N 300.380 -0.986 30 20 DBED N#Cc1c(F)cccc1N1CC[C@H](NC(=O)C(N)=O)[C@@H](O)C1 1051765596 BSKLOAMQJWREGE-JQWIXIFHSA-N 306.297 -0.762 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC2(C1)CN([C@H](C)c1nnnn1C)C2 1053192159 XHNCCTXKQACAJB-WDEREUQCSA-N 319.369 -0.656 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)[C@@H]3CCCCC(=O)N3)CO2)C1 1053922012 TUGIMHDJECGZDM-OLZOCXBDSA-N 305.378 -0.362 30 20 DBED CC[C@H](F)C(=O)NCCN(CCO)C(=O)CSCC#N 1057030393 PILPUCRFPFNBKP-JTQLQIEISA-N 305.375 -0.072 30 20 DBED C#CCNC(=O)CC(=O)N(CCO)CCNC(=O)[C@H](C)C1CC1 1057390623 ITILGCBYPDVAHL-GFCCVEGCSA-N 323.393 -0.891 30 20 DBED N#Cc1cnc(NC2CCN(C(=O)[C@@H]3CCNC3=O)CC2)cn1 1057398678 DWBIREHLICNIOL-GFCCVEGCSA-N 314.349 -0.113 30 20 DBED CS(=O)(=O)CC(=O)N1CCC[C@@H](Nc2ccc(C#N)nn2)C1 1057577718 OQQFOANPNNYSFD-LLVKDONJSA-N 323.378 -0.204 30 20 DBED C=CC(C)(C)CC(=O)N(CCO)CCNC(=O)Cc1nc[nH]n1 1057694335 CWQJDSQQYWXCNM-UHFFFAOYSA-N 323.397 -0.113 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)[C@]1(C)CCCOC1 1058589215 XJLKBEYTVGHIDY-SWLSCSKDSA-N 311.382 -0.100 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)c1cccn(C)c1=O 1058655143 ROWTWTWUWYGSTL-LLVKDONJSA-N 320.349 -0.904 30 20 DBED CCn1nc(C)cc1C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N 1058659151 UITPTBZHFVHAEN-NSHDSACASA-N 321.381 -0.078 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)C[C@@H](C)n1cccn1 1058833353 ZLFTVLVDUQZMFD-CHWSQXEVSA-N 321.381 -0.069 30 20 DBED Cc1nonc1CC(=O)N1CC[C@H](N=c2cc[nH]c(C#N)n2)C1 1058953122 MULARJDYAJSZFF-JTQLQIEISA-N 313.321 -0.283 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1C[C@@H](NC(=O)C[C@@H]2CCNC2=O)C1 1059738635 ALAWFOAABBYZFW-WCFLWFBJSA-N 313.361 -0.040 30 20 DBED CN1C[C@@H](C(=O)N[C@H]2C[C@@H](Nc3cnc(C#N)cn3)C2)CC1=O 1059862608 SRLSKAJPQWZLFE-GARJFASQSA-N 314.349 -0.114 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](CCNC(=O)CCNC(N)=O)C1 1060292722 XCTSKJLRWRHXSL-MNOVXSKESA-N 309.370 -0.441 30 20 DBED C=CCCC(=O)NC[C@@H]1COCCN1C(=O)[C@H](C)NC(C)=O 1061395678 AFUMRDLIBPWXFF-WCQYABFASA-N 311.382 -0.179 30 20 DBED CC(C)(C(N)=O)C(=O)NC[C@H]1COCCN1C(=O)C#CC1CC1 1061658055 TVNQNDMBASSTNO-LBPRGKRZSA-N 321.377 -0.745 30 20 DBED C#CCO[C@H](C)C(=O)N1CCCC[C@@H]1CNC(=O)CC(=O)NC 1062211654 VICQUUQSHPBSEN-CHWSQXEVSA-N 323.393 -0.342 30 20 DBED C#CCNC(=O)CC(=O)NCC1(NC(=O)[C@H]2C[C@H]2C)CCC1 1062829300 HQAFUDUDTAPKKN-NEPJUHHUSA-N 305.378 -0.063 30 20 DBED C#CCCCC(=O)N1CCO[C@H](CNC(=O)CNC(=O)CC)C1 1065092866 NJMZIAOMTPKHTL-CYBMUJFWSA-N 323.393 -0.340 30 20 DBED C[C@]1(NC(=O)[C@H]2CNC(=O)N2)CCN(c2ccc(C#N)cn2)C1 1065327068 UCUMVPNTDSOXOC-ABAIWWIYSA-N 314.349 -0.280 30 20 DBED CCN(CC1CCN(C(=O)C(N)=O)CC1)c1nccnc1C#N 1067637847 NFJVZIHVGFUPJH-UHFFFAOYSA-N 316.365 -0.102 30 20 DBED Cc1nsc(N[C@H](C)[C@H]2CN(C(=O)C(N)=O)CCO2)c1C#N 1068243567 KNGSSPHMLREFHK-PSASIEDQSA-N 323.378 -0.164 30 20 DBED C[C@H]1C[C@@H](CNc2cncc(C#N)n2)CN1C(=O)CC(N)=O 1068302718 JZTUEXOROQTPFK-UWVGGRQHSA-N 302.338 -0.127 30 20 DBED C#CCNC(=O)CC(=O)N1CC2(C[C@H](NC(=O)CCC)CO2)C1 1068660916 ZTHNNWDEQPBQPG-LBPRGKRZSA-N 321.377 -0.588 30 20 DBED C=C(C)CCC(=O)N1CC2(C[C@@H](NC(=O)CC(N)=O)CO2)C1 1068783668 IETRNRJZXRDJIT-LLVKDONJSA-N 309.366 -0.296 30 20 DBED C[C@@H]1C[C@H](N=c2cc[nH]cc2C#N)CN1C(=O)Cn1cnnn1 1069005756 HXQNQKBYZFVBJY-PWSUYJOCSA-N 312.337 -0.537 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)Cc2cc[nH]n2)CCOCC1 1070231084 MNDQINWZKXEINT-NSHDSACASA-N 319.365 -0.107 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CCCN(C(=O)CN2CCCC2=O)C1 1070412005 HROAPGIMUIRISA-VXGBXAGGSA-N 306.366 -0.124 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CCCN(C(=O)CCn2cncn2)C1 1070431769 GFOPNPVDHHAOSE-NWDGAFQWSA-N 304.354 -0.065 30 20 DBED C=CCOCC(=O)N1C[C@H](C)[C@@H](NC(=O)c2nnn(C)c2C)C1 1071807892 BZHOMCOZRSRDCV-JQWIXIFHSA-N 321.381 -0.097 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(C(=O)C2(CF)CC2)C[C@H]1C 1072709122 JDRGZYCTNYIJOM-VXGBXAGGSA-N 323.368 -0.161 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](NC(=O)CNC(C)=O)[C@@H](C)C1 1073660164 YPQVZQUNBPUOIR-GXTWGEPZSA-N 323.393 -0.484 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)CC[C@@H]1NC(=O)CCNC(N)=O 1073954531 KTEVTMUZLBKFSB-YPMHNXCESA-N 320.393 -0.189 30 20 DBED C=CCO[C@@H](C)C(=O)NCC1(O)CCN(C(=O)COC)CC1 1074420388 DBLIVRSZJOVBNH-LBPRGKRZSA-N 314.382 -0.306 30 20 DBED C#CCN[C@@H]1CCCO[C@H]1C1CCN(C(=O)CC(N)=O)CC1 1075407053 VPMAAMPHKLFGNM-CJNGLKHVSA-N 307.394 -0.129 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@H]3CN([C@@H]4CCNC4=O)C[C@H]32)[nH]1 1075700478 SDECRKJICRGKOW-ZLKJLUDKSA-N 313.361 -0.079 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)c1ncc[nH]1 1076403690 KTGJYDOXNYDHPM-JTQLQIEISA-N 305.338 -0.826 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CN(C[C@@H]3CCOC3)C[C@H]2O)[nH]1 1076898470 KPYVCCHHBWNIHA-ZLKJLUDKSA-N 304.350 -0.302 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)CN2CCOCC2)C1 1076902260 PDTDLOHHESVERS-VXGBXAGGSA-N 303.790 -0.768 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2cn3c(n2)CC[C@H](C)C3)C1 1077225030 KSDLPUXBMBYWTK-OUCADQQQSA-N 302.378 -0.127 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)c2cn3c(n2)COCC3)C1 1077230119 GLTPFDZBNUGVHN-DGCLKSJQSA-N 306.366 -0.236 30 20 DBED CCN(C(=O)CNC(=O)NC)C1CN(C(=O)C#CC2CC2)C1 1079918925 KYKYFBKUBSOJNW-UHFFFAOYSA-N 306.366 -0.612 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)CNC(=O)OC)C[C@H]1O 1081332781 KQRGRQJQUMGUKH-GHMZBOCLSA-N 313.354 -0.756 30 20 DBED C=C1CC(C)(C(=O)N2C[C@H](O)[C@H](CNC(=O)CC(N)=O)C2)C1 1081371318 NBROOEQLPGVXPP-MNOVXSKESA-N 309.366 -0.846 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)c2cnsn2)C[C@@H]1O 1081462792 FNBMIPDEFXOJDL-JQWIXIFHSA-N 322.390 -0.253 30 20 DBED CN1CCC[C@H]1c1cc(C(=O)N[C@@H]2CN(CC#N)C[C@@H]2O)n[nH]1 1083477549 SVTXMQIBAUIHMU-RDBSUJKOSA-N 318.381 -0.525 30 20 DBED C=CCn1cccc1C(=O)N[C@@H]1CN(CC(=O)N(C)C)C[C@@H]1O 1083526024 XWHUURBXTYPXND-OCCSQVGLSA-N 320.393 -0.463 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)C2CCN(CC3CC3)CC2)C1 1083937301 WOBMYADFZCWJQF-CVEARBPZSA-N 305.422 -0.097 30 20 DBED C=CCN1CC[C@@H](N2CC[C@H]2CN(C)C(=O)c2cnn[nH]2)C1=O 1085693085 YAWRVORNANBKNT-WCQYABFASA-N 318.381 -0.262 30 20 DBED Cn1nnc2c1C[C@@H](C(=O)NC[C@H]1C[C@H](NCC#N)C1)CC2 1086458538 PCJHZXFAHYGQFR-SRVKXCTJSA-N 302.382 -0.072 30 20 DBED COCCn1ncc(C(=O)N[C@@H]2CCN(CC#N)C[C@@H]2O)c1C 1090259323 TYJXSMYTVATHRA-KGLIPLIRSA-N 321.381 -0.474 30 20 DBED CCC(=O)NCC(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1C 1090668046 INYLAKRELOYBTP-GHMZBOCLSA-N 316.365 -0.185 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2c[nH]c(C(N)=O)c2)[C@H](O)C1 1090813741 VQKAYWQFTZJSPD-DGCLKSJQSA-N 304.350 -0.698 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2cccnc2C(N)=O)[C@@H](O)C1 1090824550 NYZQZBPOTXJRFH-STQMWFEESA-N 316.361 -0.631 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CN(c2cc(Cl)c(O)nn2)C[C@@H]1O 1091079480 QYVCTRRMGDKHTP-VDAHYXPESA-N 311.729 -0.339 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(c2cc(F)ncn2)C[C@@H]1O 1092153609 KFEXCQFEOONVRD-MNOVXSKESA-N 310.329 -0.126 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)[C@H]3COCCO3)c3nccn32)C1 1092343025 CCEGRGUXYKVPTJ-CHWSQXEVSA-N 316.361 -0.496 30 20 DBED Cc1cc(C#N)nc(NCCNC(=O)c2cc(=O)n(C)o2)n1 1093578961 QAZBRSFZIQIIFD-UHFFFAOYSA-N 302.294 -0.210 30 20 DBED N#Cc1ccc(NCCNC(=O)CN2C(=O)CCC2=O)cn1 1093626054 WCEYKKKBPQROCR-UHFFFAOYSA-N 301.306 -0.370 30 20 DBED CC(=O)N[C@@H](C(=O)NCCCN=c1cc[nH]c(C#N)n1)C(C)C 1094511021 IVHBRCKOFXSTMQ-CQSZACIVSA-N 318.381 -0.151 30 20 DBED C[C@@]1(C(=O)NCCCNc2ccc(C#N)nn2)CNC(=O)C1 1094670739 MEUZCZMXPRAOLB-AWEZNQCLSA-N 302.338 -0.207 30 20 DBED Cc1ccc(C(=O)N[C@H]2CC(=O)N(C3CN(CC#N)C3)C2)n1C 1094701651 QTGKATINEBTWGO-LBPRGKRZSA-N 315.377 -0.128 30 20 DBED CN1CCC[C@H]1C(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1 1094713683 FICNIRUURYOOOV-AAEUAGOBSA-N 305.382 -0.995 30 20 DBED C#CCCN1CC(N2C[C@H](NC(=O)Cn3ccnc3)CC2=O)C1 1094822466 JAOGRLQJTABEIE-CYBMUJFWSA-N 315.377 -0.692 30 20 DBED COCC(=O)N[C@@H](C)C(=O)NC[C@H](C)N=c1cc[nH]cc1C#N 1098343136 WTYGIDZASHKLHN-QWRGUYRKSA-N 319.365 -0.557 30 20 DBED N#CCN(CCO)C1CCN(C(=O)C[C@H]2CCCC(=O)N2)CC1 1098423998 OZMWDRZTWTZXFW-CYBMUJFWSA-N 322.409 -0.146 30 20 DBED CC(=O)NCC(=O)N1CC[C@@H](CNc2nccnc2C#N)C1 1098496368 KAUBIFSPMXQRON-NSHDSACASA-N 302.338 -0.255 30 20 DBED CC1(C)CC[C@@H](CNC(=O)C[C@@H]2NC(=O)NC2=O)N(CC#N)C1 1099110560 GIFMZQHSHVNXAZ-QWRGUYRKSA-N 321.381 -0.285 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2cnc(C)cn2)[C@@H](O)C1 1099629966 KEWRWDAKGDGJAJ-HIFRSBDPSA-N 318.377 -0.400 30 20 DBED C=C(Br)CN1CC[C@H](NC(=O)CC(N)=O)[C@@H](O)C1 1099743188 FXZZGOHMEQXGGE-IUCAKERBSA-N 320.187 -0.678 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)C2CCN(C)CC2)[C@H](O)C1 1099979668 YZBHYHDYMWSEIO-HZPDHXFCSA-N 323.437 -0.471 30 20 DBED C=CCN1CC[C@H](NC(=O)CCCN2C(=O)CNC2=O)[C@H](O)C1 1100103999 VIIAROTTWQGEHI-NWDGAFQWSA-N 324.381 -0.944 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)CN2CCCC2)[C@H](O)C1 1100109482 GEGLRCYVTOJMSH-HUUCEWRRSA-N 311.426 -0.164 30 20 DBED N#Cc1cnccc1N1CCC[C@H]1CNC(=O)Cn1ncnn1 1100868191 QXJNIVQHKFAQJE-LBPRGKRZSA-N 312.337 -0.275 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)[C@H]2CCN(C)C2)C1 1100980904 LUDDJJCGDLHNHL-MOKVOYLWSA-N 306.410 -0.828 30 20 DBED CN1C[C@@H](C(=O)N(C)CCNc2cnc(C#N)cn2)CC1=O 1102004689 ZHSVKQBNHCHIIQ-JTQLQIEISA-N 302.338 -0.303 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)CCN(C)C)C1 1102318636 CAXYJDCYZOVEGQ-ZIAGYGMSSA-N 308.426 -0.628 30 20 DBED N#Cc1nccnc1N1C[C@@H]2C[C@H]1CN2C(=O)CCNC(N)=O 1102551717 YIPCVTVDHQKGDK-UWVGGRQHSA-N 315.337 -0.804 30 20 DBED C[C@@H]1CN(Cc2nnnn2C)C[C@H]1CCNC(=O)[C@H](C)C#N 1102784203 OMBUNFRIZSORKL-IJLUTSLNSA-N 305.386 -0.056 30 20 DBED C[C@@H](CNC(=O)CC(=O)N(C)C)CNc1cnc(C#N)cn1 1104229180 DQJOQNZQNZMIGE-SNVBAGLBSA-N 304.354 -0.009 30 20 DBED COC[C@@H](C)C(=O)NC[C@H]1CN(c2cncc(C#N)n2)CCO1 1104310102 OGAKXZNXQTYJOQ-YPMHNXCESA-N 319.365 -0.048 30 20 DBED C#CCNCC[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)C[C@H]1C 1104986909 AVWKFWZUQYKHAM-VXGBXAGGSA-N 306.366 -0.754 30 20 DBED CN1CCO[C@H](C(=O)N(C)CCN(C)c2nccnc2C#N)C1 1105355565 RCHBKNYFBFLGKZ-ZDUSSCGKSA-N 318.381 -0.427 30 20 DBED CC[C@H](OC)C(=O)NC[C@H](O)CNc1nc(C)cc(C#N)n1 1105779966 MNEWCUIPKXQFDQ-RYUDHWBXSA-N 307.354 -0.029 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H](O)CNC(=O)C1CCC(O)CC1 1105804772 ZULLAERDWYSYLB-UBHUBRDASA-N 318.377 -0.185 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)CN(C)C(C)=O)C[C@H]1C 1105852219 RYPOLDNEFQJXPV-UKRRQHHQSA-N 309.410 -0.201 30 20 DBED Cc1cc(=NC[C@@H](O)CNC(=O)[C@@H]2CCN(C)C2)c(C#N)c[nH]1 1105853147 HXSCXCZHTJRRLE-TZMCWYRMSA-N 317.393 -0.476 30 20 DBED N#Cc1cnc(NC[C@H](O)CNC(=O)Cn2ccnc2)c(F)c1 1105883418 UEFOGNIZJBVGDL-LLVKDONJSA-N 318.312 -0.122 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](O)CNc1nccc(OC)n1 1106123726 QNBNNLKQYLEHKH-TUAOUCFPSA-N 322.365 -0.035 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](O)CNc1cncc(C#N)n1 1106125163 NGICJEWTANZGTE-XQQFMLRXSA-N 317.349 -0.172 30 20 DBED CCN(CCN=c1cc[nH]cc1C#N)C(=O)CNC(=O)OC 1106684417 WIAQNWIWJBMJSS-UHFFFAOYSA-N 305.338 -0.008 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)C[C@@H](C)NC(N)=O 1106857031 LQBGMLCQOWRGTI-SNVBAGLBSA-N 319.369 -0.523 30 20 DBED CN1CCO[C@H](C(=O)NC/C=C\CNc2nccnc2C#N)C1 1107093457 GDVNDUORTNKELI-ZRMMWKCHSA-N 316.365 -0.237 30 20 DBED C[C@H](CNc1ccc(C#N)nc1)NC(=O)Cn1ncn(C)c1=O 1107996195 JYOPGAYUVLLXRX-SNVBAGLBSA-N 315.337 -0.535 30 20 DBED C#CCNC(=O)CN1CCO[C@@](C)(CNC(=O)c2cnco2)C1 1108105185 WTDCKANFHIFWAI-HNNXBMFYSA-N 320.349 -0.755 30 20 DBED C#CCN1CCN(C(=O)[C@H](C)COC)[C@@H]2CS(=O)(=O)C[C@@H]21 1108465207 NSQBFICXQNSVPE-FRRDWIJNSA-N 314.407 -0.788 30 20 DBED CCOCCN1CC(N2C[C@H](NC(=O)[C@@H](C)C#N)CC2=O)C1 1108528117 UBYUCRAHBRZZTP-NWDGAFQWSA-N 308.382 -0.416 30 20 DBED C[C@H](CN(C)c1nccnc1C#N)NC(=O)c1nccnc1N 1108885867 NSVVUQBVNOFOHC-SECBINFHSA-N 312.337 -0.025 30 20 DBED C[C@H](CN(C)c1ccncc1C#N)NC(=O)C1CS(=O)(=O)C1 1109116678 LPNXZRYQEFZCSO-SNVBAGLBSA-N 322.390 -0.061 30 20 DBED C[C@@H](CN(C)c1ccnc(C#N)n1)NC(=O)[C@H]1CCC(=O)NC1 1109305656 SMRICQBNAWEEQE-QWRGUYRKSA-N 316.365 -0.185 30 20 DBED CC(=O)N1CC(C(=O)NCC2(Nc3cncc(C#N)n3)CC2)C1 1110113517 UTVJXBXAIPOWJK-UHFFFAOYSA-N 314.349 -0.113 30 20 DBED C=CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NC(N)=O 1110183364 SJKYTARENGGDMA-WYUUTHIRSA-N 324.381 -0.506 30 20 DBED Cc1cc(C#N)nc(N2CCC(C)(NC(=O)C(N)=O)CC2)n1 1110608964 LRSKSAAAPBELRB-UHFFFAOYSA-N 302.338 -0.383 30 20 DBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cc1ncc[nH]1 1111181967 WAFQCMIGYSFHOO-UPJWGTAASA-N 317.393 -0.024 30 20 DBED C#CCOCCC(=O)N(C)[C@H]1CN(c2ncccn2)C[C@@H]1O 1111190944 ZJXOMXIEPRELRA-STQMWFEESA-N 304.350 -0.476 30 20 DBED CO[C@H](C)C(=O)N[C@@]1(CO)CCCN(c2ccc(C#N)nn2)C1 1111336262 MAVFPYAIHMJDFK-ABAIWWIYSA-N 319.365 -0.169 30 20 DBED COCC(=O)N[C@]1(CO)CCCN(c2nccnc2C#N)C1 1111336679 VTUGXNMOFVBFJL-CQSZACIVSA-N 305.338 -0.558 30 20 DBED Cc1nc(N2CCOC[C@H]2CNC(=O)CC(N)=O)ccc1C#N 1111679869 WKPKTECMPMBLAJ-GFCCVEGCSA-N 317.349 -0.542 30 20 DBED N#CCNC(=O)CN1C[C@@H]2CCC[C@]2(NC(=O)c2cnco2)C1 1111822756 NUMSXAAHFUKJDR-NHYWBVRUSA-N 317.349 -0.101 30 20 DBED CNC(=O)CC(=O)N[C@H]1CCN(c2ccc(C#N)nn2)C[C@@H]1C 1112401161 XLVCVJWHCJVPFU-JQWIXIFHSA-N 316.365 -0.185 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)c2cnsn2)CC1 1112644930 AZACLBJOUNWKQD-JTQLQIEISA-N 309.395 -0.013 30 20 DBED C[C@H](C#N)C(=O)NC1(CO)CCN(c2ccc(C#N)nn2)CC1 1112657210 WAXTWAXIMGPLIY-LLVKDONJSA-N 314.349 -0.045 30 20 DBED C#CCCCCC(=O)N1CCN(CCNS(C)(=O)=O)CC1 1112775311 PCKNVUYSXGFTLM-UHFFFAOYSA-N 315.439 -0.127 30 20 DBED C#CCOCCC(=O)N1CCN(CCCS(C)(=O)=O)CC1 1112845136 WDTVNLMQYXDAQJ-UHFFFAOYSA-N 316.423 -0.395 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2cc(OCC)n[nH]2)CC1 1113000329 YKKYWBZVWIPKKV-UHFFFAOYSA-N 319.365 -0.684 30 20 DBED CNC(=O)NCCC(=O)N[C@H](C)[C@H](C)N=c1cc[nH]c(C#N)n1 1113000842 GPYDZIRHGWEKMR-VHSXEESVSA-N 319.369 -0.606 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)[C@H](C)CC(N)=O)CC1 1113193842 QMCSWOWJNCNFEC-VXGBXAGGSA-N 310.398 -0.667 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)CCCCC(N)=O)CC1 1113509843 MWMJRASVLIVSKG-UHFFFAOYSA-N 310.398 -0.522 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)C[C@](C)(O)C=C)[C@H]2C1 1114192095 PWTHSSBBXBKWRN-GUYJKWIASA-N 307.394 -0.338 30 20 DBED C=C[C@](C)(O)CC(=O)NC1[C@@H]2CN(CCNC(=O)C3CC3)C[C@@H]12 1114193542 CAYYEBGQGCNGAM-XNJGSVPQSA-N 321.421 -0.114 30 20 DBED C[C@H](C(=O)NC(N)=O)N1C[C@H]2[C@H](NC(=O)C#CC3CC3)[C@H]2C1 1114257811 GOOSYGDNQNREDS-GOONRYMUSA-N 304.350 -0.970 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)[C@H](C(C)C)N(C)C)[C@H]2C1 1114439002 INEBREYXSGNORW-XEZPLFJOSA-N 320.437 -0.632 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)[C@@]3(C)CCNC(=O)C3)[C@H]2C1 1114455582 FVJPBODLAPADFW-SHFYGJNESA-N 319.405 -0.401 30 20 DBED N#Cc1cnccc1N1C[C@H]2[C@H](CNC(=O)CNC(N)=O)[C@H]2C1 1114500276 GKSSUIHHLKTBOW-CNDDSTCGSA-N 314.349 -0.580 30 20 DBED C#CCCN1C[C@H]2[C@H](NC(=O)CNC(=O)c3cccnc3)[C@H]2C1 1114869169 CZPVQKXREPBGSU-FOLVSLTJSA-N 312.373 -0.119 30 20 DBED CN(CCOCCNC(=O)c1nc[nH]n1)c1cncc(C#N)n1 1115225959 JCCSAQSRZKINHV-UHFFFAOYSA-N 316.325 -0.651 30 20 DBED CN(CCOCCNC(=O)c1cnn[nH]1)c1ccc(C#N)nn1 1115268803 IMZRSOGERBUQRP-UHFFFAOYSA-N 316.325 -0.651 30 20 DBED C=C[C@H](COC)NS(=O)(=O)c1cnn(CC(=O)OC)c1 1116615931 QZNPQNFHFJTTGZ-SECBINFHSA-N 303.340 -0.465 30 20 DBED Cn1cc(C(=O)NC[C@@H](CO)Nc2ccc(C#N)cn2)cn1 1121026609 ZFPPUMWIHQFUAR-LBPRGKRZSA-N 300.322 -0.110 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)CC2OCCCO2)nn1 1121359184 FVXGXNQFXYPKFR-NSHDSACASA-N 321.337 -0.610 30 20 DBED Cc1nc(N[C@@H](CO)CNC(=O)[C@H]2COC(=O)N2)ccc1C#N 1121385612 IDWFJEFQNBMVMU-GHMZBOCLSA-N 319.321 -0.741 30 20 DBED Cc1ccc(C#N)c(N[C@@H](CO)CNC(=O)c2[nH]nnc2C)n1 1122387529 ZPPAEDFHJGLSMH-LLVKDONJSA-N 315.337 -0.109 30 20 DBED COC[C@@H](C)C(=O)N(C)C[C@@H](O)CNc1cncc(C#N)n1 1124197627 ZMLWEKPBQVWPHA-PWSUYJOCSA-N 307.354 -0.138 30 20 DBED C=CCCOCC(=O)N(C)C[C@H](O)CN=c1cc[nH]c(C#N)n1 1124385386 HHYQIWTWANRIJB-GFCCVEGCSA-N 319.365 -0.406 30 20 DBED C#CCNC(=O)CC(=O)NCCNCC(=O)N1CCCC[C@@H]1C 1125977660 CQQOYXQUMXEFOD-ZDUSSCGKSA-N 322.409 -0.767 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)c1ccnn1CC 1126184196 IBFFJPGKNNBBDX-UHFFFAOYSA-N 320.397 -0.015 30 20 DBED CN(CCOCCNc1ncc(C#N)cc1F)C(=O)C(N)=O 1127457896 QDTOZOCXHPNLOV-UHFFFAOYSA-N 309.301 -0.535 30 20 DBED C#CCN1CCn2ncc(CNC(=O)COCCOC)c2C1 1128274127 PEPYDGXULLCOAP-UHFFFAOYSA-N 306.366 -0.389 30 20 DBED C=CCC(C)(C)C(=O)N1C[C@H](n2ccnn2)[C@H](NCC(N)=O)C1 1130022910 QKVCJGOKUFVSQJ-NEPJUHHUSA-N 320.397 -0.293 30 20 DBED C#CCN1CCOC[C@H]1c1n[nH]c(CNC(=O)CCCOC)n1 1130828009 AMWCWVHXSHRNBL-LBPRGKRZSA-N 321.381 -0.146 30 20 DBED C#CCN1CCOC[C@@H]1c1n[nH]c(CNC(=O)[C@H](C)OC)n1 1130835431 MOYSIHOQMKOQPK-WDEREUQCSA-N 307.354 -0.538 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)CCC(=O)NCC)CC1 1131345416 YQGCYOPPHBFBID-UHFFFAOYSA-N 324.425 -0.261 30 20 DBED C=CCN1CC[C@]2(C1)CN(C(=O)CNC(=O)NC)C[C@@H](C)O2 1131666800 SEPMXVPLXPPHFB-DOMZBBRYSA-N 310.398 -0.207 30 20 DBED C#CCNC(=O)CN1C[C@H](NC(=O)c2cn(C)nn2)CC[C@@H]1C 1131998702 HYDCLKNQDOIIFL-NWDGAFQWSA-N 318.381 -0.853 30 20 DBED C[C@@H]1CCN(C(=O)CS(=O)(=O)N(C)C)C[C@H]1CNCC#N 1133274211 DISYKVJRRCCAOC-VXGBXAGGSA-N 316.427 -0.524 30 20 DBED Cc1nnccc1C(=O)N[C@@H](C)C[C@@H](C)NCC(=O)NCC#N 1134869443 XAYXVSSYCQRLMX-MNOVXSKESA-N 318.381 -0.089 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)c1cc(C(N)=O)c[nH]1 1135826715 YDOGZBJYRKEDTE-SECBINFHSA-N 307.354 -0.876 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC2(CCN(Cc3nnn(C)n3)C2)C1 1147439285 ANSFEZMDUDLPBV-CQSZACIVSA-N 320.397 -0.429 30 20 DBED C=CCN1CCCO[C@H](CNC(=O)[C@@H](C)N2C(=O)CCC2=O)C1 1149818846 VWSBTCFBLLMNGV-CHWSQXEVSA-N 323.393 -0.083 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)Cc1csc(C)n1 1150301702 WTHJANVTDOLFGA-JTQLQIEISA-N 308.407 -0.162 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)CNC(=O)C1CC1 1152065916 MEBAMBHKNXMJMJ-GFCCVEGCSA-N 322.409 -0.911 30 20 DBED C#CCNC(=O)CC(=O)NCCCNCc1cc(C)ncn1 1156848309 XHUPWBKXJXPQCH-UHFFFAOYSA-N 303.366 -0.480 30 20 DBED C=CCN(CC=C)C(=O)CNCCCNC(=O)CC(=O)NC 1157011889 KWVAVHYWWGTKCB-UHFFFAOYSA-N 310.398 -0.581 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)c1cnc2n1CCC2 1160191893 RLNNGUQIJPATBR-LBPRGKRZSA-N 317.393 -0.323 30 20 DBED C#CCNC(=O)CNCC1(CCNC(=O)[C@H]2COCCO2)CC1 1163515463 IWIWTWFETVYALQ-CYBMUJFWSA-N 323.393 -0.973 30 20 DBED C=CCNC(=O)CNCC1(CCNC(=O)[C@@H](C)CC(N)=O)CC1 1166544410 FUAOPUKDLOTAPU-LBPRGKRZSA-N 324.425 -0.324 30 20 DBED N#CCNCC1(CCNC(=O)CCn2cc[nH]c(=O)c2=O)CC1 1167470996 NHLFSBQSHMTNHS-UHFFFAOYSA-N 319.365 -0.674 30 20 DBED C#CCCNCC1(CCNC(=O)CC[C@@H]2NC(=O)NC2=O)CC1 1168051986 IQTMSXNSMBTHMP-LBPRGKRZSA-N 320.393 -0.126 30 20 DBED C=C(C)CCN1CCO[C@H]2CCN(C(=O)CNC(N)=O)C[C@H]21 1176907746 SCQJZHDDYBTYEJ-OLZOCXBDSA-N 310.398 -0.077 30 20 DBED C#CCN1CCC(C(=O)NCCCN[C@@H](C)C(=O)NC)CC1 1176926202 IYUALPIWRAPYBZ-ZDUSSCGKSA-N 308.426 -0.438 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)C3(C(=O)NC)CCC3)C[C@H]21 1177140158 WMNLZNOFHLJTQE-ZIAGYGMSSA-N 319.405 -0.162 30 20 DBED C=C(C)CN(CC)C(=O)[C@@H](C)N[C@@H]1CCN(C(=O)CC(N)=O)C1 1181779939 OONFEILEMJXTTF-CHWSQXEVSA-N 324.425 -0.135 30 20 DBED N#CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3cc[nH]c3)[C@@H]2C1 1187984818 SUAKNACMESIJQI-QWHCGFSZSA-N 301.350 -0.199 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC[C@H](N(C)Cc2nnnn2C)C1 1189918332 PDJROWKGFCOYSX-SMDDNHRTSA-N 308.386 -0.430 30 20 DBED COCC#CCN1C[C@@H]2CCN(C(=O)CCNC(N)=O)[C@@H]2C1 1190099826 CIFQJOCHBKOGDI-QWHCGFSZSA-N 308.382 -0.773 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)c2cocn2)C1 1191696633 HIJZYNULUNNDSI-HOSYDEDBSA-N 308.338 -0.860 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(Cc2nc(CCC)no2)C[C@H]1O 1191806802 DMKQYSZXIMQIHL-VXGBXAGGSA-N 324.381 -0.114 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)[C@@H]2CCO[C@H]2C=C)C1 1192426434 PGOBQJSAHUWHBU-ZNMIVQPWSA-N 319.405 -0.140 30 20 DBED C#CCC1(C(=O)N[C@@H]2CN([C@H](C)C(=O)NC)C[C@H]2O)CCC1 1193691993 XWMNLMSDBHGLKW-JHJVBQTASA-N 307.394 -0.524 30 20 DBED C=CCCCN1C[C@@H](O)[C@H](NC(=O)Cn2ccc(O)nc2=O)C1 1194451867 XGLNULBPRUDFRD-VXGBXAGGSA-N 322.365 -0.924 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H](C)c2ccco2)C1 1196136605 BTMYIESRXFJXSD-JHJVBQTASA-N 319.361 -0.706 30 20 DBED C#CCN[C@@H]1C[C@@H](NC(=O)CCNC(=O)COC)C12CCC2 1202997202 WNWMTDCOVYHACB-CHWSQXEVSA-N 307.394 -0.211 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC(CN[C@@H](C)C(=O)NC)CC1 1205264902 JXQKXWGPUNDGCP-QWHCGFSZSA-N 309.410 -0.013 30 20 DBED CC#CCN[C@@H]1CCCN(C(=O)CN(C)S(=O)(=O)CC)C1 1210408489 VNMMZSVEWUNKLU-CYBMUJFWSA-N 315.439 -0.128 30 20 DBED COCC#CCN1C[C@@H](NC(=O)Cc2cnn(C)c2)[C@H](OC)C1 1211992547 RKFCAQGUZCPEGG-HUUCEWRRSA-N 320.393 -0.572 30 20 DBED C=CCN1C[C@@H](NC(=O)C(=O)NCC(F)(F)F)[C@H](OC)C1 1213642381 HMTVJVRXNGGYIP-RKDXNWHRSA-N 309.288 -0.334 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@@H](NCc2nncn2C)[C@H](C)C1 1214602810 YFUHBKNHTZVGCU-JHJVBQTASA-N 305.382 -0.210 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)COCc2nc(CC)no2)C1 1220732180 LAAGWCREXXHUFW-NEPJUHHUSA-N 324.381 -0.114 30 20 DBED C=CCOCC(=O)NCC1CCN(CC(=O)NCC#N)CC1 1222636145 ILWXNQCPLDHWRW-UHFFFAOYSA-N 308.382 -0.343 30 20 DBED C=CCNC(=O)[C@H](C)N1CCC(CNC(=O)CC(=O)NC)CC1 1222947601 XOKGDGOUOBQHQC-LBPRGKRZSA-N 324.425 -0.359 30 20 DBED Cn1nccc1C(=O)NC1CCN(CC(=O)NCC#N)CC1 1226403616 DVALIKBIFRYIPN-UHFFFAOYSA-N 304.354 -0.746 30 20 DBED C=CCNC(=O)CN1CC[C@H]1CN(C)C(=O)c1cnnn1CC 1234099088 IQUKEDQJUXGTTF-LBPRGKRZSA-N 320.397 -0.254 30 20 DBED C#CCNCC(=O)NCc1ccc(N(C)S(C)(=O)=O)cc1 1263083319 IQTZCXRPTPQGEP-UHFFFAOYSA-N 309.391 -0.079 30 20 DBED COCCCNC(=O)[C@H](C#N)C(=O)c1ccnc2c1nnn2C 1263293726 YHLVAQYGLKXXTE-SNVBAGLBSA-N 316.321 -0.162 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@@H](NC(=O)c2cc(C)no2)C1 1318312115 MVEZNCNYVSGKHY-NWDGAFQWSA-N 304.350 -0.075 30 20 DBED C=C[C@@H](COC)NC(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 1321242594 CVDBKDQXPJORAG-MNOVXSKESA-N 305.400 -0.232 30 20 DBED C#C[C@@H](NC(=O)C(=O)NC1CCN(CC#N)CC1)[C@@H]1CCCO1 1322563231 RKHYTQXKTUADFV-KGLIPLIRSA-N 318.377 -0.612 30 20 DBED CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCO[C@@H](C#N)C1 1322759321 YFVDOMSLAOGXIC-STQMWFEESA-N 308.382 -0.272 30 20 DBED C=CCC1(S(=O)(=O)NC(=O)COCc2nncn2C)CC1 1324994248 FXXCOSPFNROAOX-UHFFFAOYSA-N 314.367 -0.114 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N(C)C[C@@H]1CCOC1 1325699426 YBLOBVDXYVALQO-NSHDSACASA-N 318.395 -0.802 30 20 DBED CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCO[C@@H](C#N)C1 1327184987 OCEIFAVFJQAYQP-RDBSUJKOSA-N 320.393 -0.177 30 20 DBED C[C@@H](CNC(=O)C(=O)N1CC[C@](O)(CC#N)C1)CN1CCCC1 1328258054 VPPSNHCQZTVQGA-XJKSGUPXSA-N 322.409 -0.288 30 20 DBED COCC[C@H](C)CNC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1330327533 BJVUKQSWDIWZFL-JSGCOSHPSA-N 322.409 -0.026 30 20 DBED C=C(C)COCCNC(=O)C(=O)NC[C@@H]1CC(=O)N(CC)C1 1332808248 CXSOUFYQTNDETC-LBPRGKRZSA-N 311.382 -0.320 30 20 DBED N#Cc1ccc([C@@H](O)CNCCN2CCS(=O)(=O)CC2)cc1 1336762561 DNFYNJYZAUPHLN-HNNXBMFYSA-N 323.418 -0.088 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)N2CC[C@]3(CCOC3)C2)C1 1349345520 YNEXHACBAYOCAU-GJZGRUSLSA-N 307.350 -0.498 30 20 DBED Cc1nccn1CCNC(=O)Cn1cc(C#N)c(O)nc1=O 1362085954 MEQPOQCDTUWEPQ-UHFFFAOYSA-N 302.294 -0.858 30 20 DBED CCN1CCC[C@@H](Nc2c(C#N)c(=O)n(C)c(=O)n2C)C1=O 1363751385 QSXYSRKIUTYLMR-SNVBAGLBSA-N 305.338 -0.622 30 20 DBED N#Cc1cn(CCNC(=O)NC[C@@H]2CCCOC2)c(=O)nc1O 1364606239 POILLRHTANCWAX-JTQLQIEISA-N 321.337 -0.454 30 20 DBED CNS(=O)(=O)CCC(=O)NC[C@@H](C)N(C)C(=O)[C@@H](C)C#N 1369843674 LMDGRQIKTMJBDK-VHSXEESVSA-N 318.399 -0.952 30 20 DBED C[C@@H](C#N)C(=O)NC1CN(Cc2nc(O)c3cnn(C)c3n2)C1 1373419165 YAEGKQOLCRYLAG-QMMMGPOBSA-N 315.337 -0.471 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CCCN1C(=O)c1cc(C(N)=O)c[nH]1 1388548401 RQUUAUWGJMPVQL-MWLCHTKSSA-N 317.349 -0.006 30 20 DBED CCN(CCC#N)C(=O)CN1CC(CNC(=O)[C@H](C)C#N)C1 1400479282 VDQFNRKSRJULJR-GFCCVEGCSA-N 305.382 -0.044 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@H](NCCN2CCCS2(=O)=O)C1 1419396829 BPWGQALHZLZYOT-SRVKXCTJSA-N 314.411 -0.582 30 20 DBED Cn1c(=O)[nH]c(NC[C@@H](O)COc2ccccc2)c(C#N)c1=O 1421049281 ZEGRQIYPUONAPJ-SNVBAGLBSA-N 316.317 -0.203 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CCN(C(=O)CCn2ccnn2)C1 1429579330 DYYWUEVEFWDWQQ-RYUDHWBXSA-N 304.354 -0.113 30 20 DBED CCN1CCO[C@@H](C(=O)N(C)CCN(C)C(=O)[C@H](C)C#N)C1 1433182338 TXNIRGIWNJMJGM-CHWSQXEVSA-N 310.398 -0.216 30 20 DBED Cn1c(C#N)ccc1C(=O)N1CCS(=O)(=O)[C@H]2COCC[C@H]21 1434066644 SHHWOAQETSFMBQ-YPMHNXCESA-N 323.374 -0.075 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(O)(CN[C@@H](C)C(=O)N(C)C)CC1 1440628225 NNDZXMBFPVTXMI-RYUDHWBXSA-N 310.398 -0.434 30 20 DBED CC(=O)N(C)CC(=O)N1CC2(CCN(C(=O)[C@@H](C)C#N)C2)C1 1445186551 PHCQXCZMMHVXJI-NSHDSACASA-N 306.366 -0.315 30 20 DBED CCC(=O)N1CC[C@@H](C(=O)N2CC(CNC(=O)[C@H](C)C#N)C2)C1 1450715439 SJJULJZIIANIPI-DGCLKSJQSA-N 320.393 -0.021 30 20 DBED CC(=O)N[C@@H](C)C(=O)N(C)CCN(C)C(=O)c1c[nH]c(C#N)c1 1452067636 YEUHCMWQLCCXRP-JTQLQIEISA-N 319.365 -0.059 30 20 DBED C[C@@H]1C[C@@H](NC(=O)NCCn2cc(C#N)c(O)nc2=O)CCO1 1469415980 BZAWHCKJCBBXHM-KOLCDFICSA-N 321.337 -0.313 30 20 DBED C=C(Cl)CNC[C@@H](O)CNC(=O)[C@H](C)CS(C)(=O)=O 1482798076 FWGFRCMSGVCKEO-PSASIEDQSA-N 312.819 -0.514 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)c2ccc(=O)n(C)c2)C1 1494073475 MSCDEJAGBWRDGG-YUSALJHKSA-N 302.334 -0.078 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNCc1cc2n(n1)CCCC2 1496955400 PKOMKHQNQUEHIN-BXUZGUMPSA-N 305.382 -0.054 30 20 DBED Cc1nn(C)c(C)c1CC(=O)NC[C@@H](O)CNC(=O)[C@@H](C)C#N 1501585708 TUMQPYYKEUMZHN-JOYOIKCWSA-N 321.381 -0.668 30 20 DBED C[C@@H](CN(C)C(=O)CCn1cnccc1=O)NC(=O)[C@H](C)C#N 1510759086 YLMCXGNQLGAZBI-NEPJUHHUSA-N 319.365 -0.244 30 20 DBED C=CCn1cc(CNC(=O)[C@H]2CCCN(CCN)C2=O)nn1 1574960584 PBZNZTNJFSYKPM-GFCCVEGCSA-N 306.370 -0.722 30 20 DBED COCC#CCN(C)CCNC(=O)CCOCc1cnn[nH]1 1576953968 SGWVQZGBHUYHFD-UHFFFAOYSA-N 309.370 -0.591 30 20 DBED C#CCN(CC(=O)O)c1nnc([C@]2(O)CCOC2)n1CC(=C)C 1588426947 HWHUSDSZFVRDEH-HNNXBMFYSA-N 320.349 -0.014 30 20 DBED C[C@@H](NC(=O)[C@H](C#N)Cc1ccc(-c2nn[nH]n2)cc1)C(N)=O 1589915785 OTYNWAVDEZPCCL-KCJUWKMLSA-N 313.321 -0.461 30 20 DBED CC1=C(C)C(=O)N(CCC(=O)N(CC#N)CCC(=O)O)C1=O 1594108701 YEAGDEJNMLOHIC-UHFFFAOYSA-N 307.306 -0.091 30 20 DBED CN(CCNC(=O)c1c[nH]c(C#N)c1)C(=O)[C@H]1C[C@H]1C(=O)O 1598492888 VCAALLLDZYHKHT-WDEREUQCSA-N 304.306 -0.205 30 20 DBED N#CCCN1CCN(C(=O)[C@@H]2CCCN(CC(=O)O)C2=O)CC1 1605585513 DFMREDNSJNGHHT-LBPRGKRZSA-N 322.365 -0.633 30 20 DBED CN1C[C@@H](C(=O)O)N(C(=O)Cc2ccc(C#N)nc2)CC1=O 1606200326 QUQKPHCNJUWMNJ-NSHDSACASA-N 302.290 -0.750 30 20 DBED N#Cc1nc(N2CCCN(C(N)=O)CC2)cnc1-c1nn[nH]n1 1606389665 RBZQIORONNWLDF-UHFFFAOYSA-N 314.313 -0.881 30 20 DBED N#Cc1nc(N[C@H](CO)C[C@H]2CCCO2)cnc1-c1nn[nH]n1 1606393205 ROHYCEIGPHUUGN-DTWKUNHWSA-N 316.325 -0.130 30 20 DBED C[C@@H]1CN(C(=O)C(=O)N2CCO[C@@](C)(C#N)C2)C[C@H]1C(=O)O 1607428994 VWHVJTKWOMANQS-RULNRJAQSA-N 309.322 -0.693 30 20 DBED C#C[C@@H](NS(=O)(=O)N1CCC(C(=O)O)CC1)[C@@H]1CCCO1 1609057901 JCJKYOKDJXJGQD-NEPJUHHUSA-N 316.379 -0.202 30 20 DBED N#Cc1cscc1C(=O)NCCn1cnc(-c2nn[nH]n2)n1 1609500961 NUVZDTVTSIXLNE-UHFFFAOYSA-N 315.322 -0.179 30 20 DBED C=CCOCCNC[C@H]1CCCCN1C(=O)[C@@H]1CNC(=O)N1 1713265581 LUKOCTXDQDOVJE-OLZOCXBDSA-N 310.398 -0.159 30 20 DBED C=CCOCC(=O)NC[C@H]1CC[C@@H](NC(=O)C2(C(N)=O)CC2)C1 1719439938 IMVAJXMSCWYAAF-NWDGAFQWSA-N 323.393 -0.144 30 20 DBED C=CCNC(=O)CN1CC[C@@H](CNC(=O)[C@H]2COCCO2)C1 1753118062 DJQRCZRTMBIERE-QWHCGFSZSA-N 311.382 -0.858 30 20 DBED C#CCNC(=O)CNCC[C@H]1CCCN(C(=O)[C@H]2CCOC2)C1 1753542350 HGYFCHJJAQKXHT-CABCVRRESA-N 321.421 -0.009 30 20 DBED N#CCNC(=O)CN1CCO[C@H](CNC(=O)C2[C@H]3CCC[C@H]23)C1 1753655036 ACURMMBOXKJPJJ-AGIUHOORSA-N 320.393 -0.511 30 20 DBED C#CCNC(=O)CNC[C@@H](C)NC(=O)c1cccn2nccc12 1754233152 ZLKFIQALJQDUSQ-GFCCVEGCSA-N 313.361 -0.208 30 20 DBED C=CCn1cc(C(=O)N(C)CCCN[C@H]2CCNC2=O)nn1 1754401768 IOKHJSMDXDOPBN-NSHDSACASA-N 306.370 -0.596 30 20 DBED C=CCNC(=O)CNC[C@@H](NC(=O)[C@@H]1CCC(=O)NC1)C1CC1 1754445411 RMTGSBHIBQNKHH-CHWSQXEVSA-N 322.409 -0.701 30 20 DBED Cc1ncsc1C(=O)NC[C@@H]1CCN1CC(=O)NCC#N 1754473441 KHJKSNFMLGBHFF-JTQLQIEISA-N 307.379 -0.105 30 20 DBED CN(C(=O)C#CC1CC1)C1CN(CCN(C)S(C)(=O)=O)C1 1754574724 BSKHRADEKWCHDT-UHFFFAOYSA-N 313.423 -0.566 30 20 DBED Cc1cc(CN2CC(O)(CNC(=O)C#CC3CC3)C2)nn1C 1754767329 JRZWCBZHWHXFMZ-UHFFFAOYSA-N 302.378 -0.195 30 20 DBED CC(=O)N1CC[C@@](C)(C(=O)NC[C@H]2COCCN2CC#N)C1 1754972729 NYYXAPJXVLOVKA-DZGCQCFKSA-N 308.382 -0.415 30 20 DBED C[C@H]1C[C@H](NC(=O)c2cncn2C)CCN1CC(=O)NCC#N 1755160890 ISPMZUHZDOFSBR-NWDGAFQWSA-N 318.381 -0.357 30 20 DBED C=CCNC(=O)CN[C@@H](C)[C@@H](C)NC(=O)c1ccnc(OC)n1 1755244667 SROMECMJRMGLSS-WDEREUQCSA-N 321.381 -0.116 30 20 DBED CC(C)C#CC(=O)N[C@@H](C)[C@H](C)NCC(=O)N1CCNC(=O)C1 1755253407 KLRBTDSYONYATL-STQMWFEESA-N 322.409 -0.913 30 20 DBED C#CCCNCC(C)(C)CN(C)C(=O)Cn1c(O)nnc1O 1755288788 DBBGNPVMTBVDAH-UHFFFAOYSA-N 309.370 -0.213 30 20 DBED C#CCNC(=O)CNCCC[C@H](C)NC(=O)c1cnnc(O)c1 1755503040 ZGWGSOYLVNIZHP-NSHDSACASA-N 319.365 -0.580 30 20 DBED CC#CCN[C@@H](C)CN(C)C(=O)CN(C)CC(=O)NC(C)C 1755595145 ZJTMMHQBQQOWOA-AWEZNQCLSA-N 310.442 -0.097 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@H](C)N(C(=O)c2ccn(CC)n2)C1 1755687014 RTKVCAKOJVNMFF-STQMWFEESA-N 317.393 -0.155 30 20 DBED C#CCN[C@H]1C[C@H](C)N(C(=O)CCC(=O)N2CCOCC2)C1 1755690451 WGXOIQVORGKXEP-KBPBESRZSA-N 307.394 -0.162 30 20 DBED C=C(C)CCNC[C@H](O)CN(C)C(=O)c1nccnc1C(N)=O 1755796294 NYWQMGXXVUNXJM-NSHDSACASA-N 321.381 -0.436 30 20 DBED C#CCCCCC(=O)N(C)[C@@H](C)CNC(=O)Cn1ncnn1 1756030273 UTNMYRCRUOBKON-LBPRGKRZSA-N 306.370 -0.170 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H](CO)CNC(=O)/C=C\c1ccc[nH]1 1756516276 YYTPASCDBBZXNP-PFBXESSKSA-N 319.361 -0.341 30 20 DBED CCc1cc(C(=O)N[C@@H](CO)CNC(=O)C#CC2CC2)no1 1756519014 ACSIXBWDSXFLNG-LLVKDONJSA-N 305.334 -0.143 30 20 DBED C=CCOCC(=O)N(C)C[C@H](O)CNC(=O)c1oncc1C 1756656379 PLVGDDISCHZSJV-LLVKDONJSA-N 311.338 -0.265 30 20 DBED N#CCSCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CC2(F)F)C[C@H]1O 1756979229 JVUZHPJSWLATLS-DJLDLDEBSA-N 319.333 -0.414 30 20 DBED C=CCOCC(=O)NC[C@H]1C[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 1757312203 HEDDIDHAWFEWPP-KXNHARMFSA-N 309.366 -0.679 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](C)n1cccn1)CCO2 1783053644 NHGHWXFFIBLJIC-XJKSGUPXSA-N 316.361 -0.093 30 20 DBED C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCCOC3)C2)C1 1785502342 BTYBKZOXBZICRL-CZUORRHYSA-N 306.362 -0.124 30 20 DBED N#CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1CNC(=O)C1)C2 1795463153 HBLRVIDYDLAQLB-YFKTTZPYSA-N 304.350 -0.326 30 20 DBED C#CCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](N)CN)C2 1802302347 DTCWEJQOWCCICI-CRWXNKLISA-N 306.410 -0.286 30 20 DBED CC(C)[C@@H](S)C(=O)N1CC2(CCCN2C(=O)C(O)O)C1 1841234248 IKEPEKKMXBOYJL-SECBINFHSA-N 302.396 -0.545 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(=O)N(C)C 1847813043 SNDDSPGCXQPCQF-AVGNSLFASA-N 323.393 -0.133 30 20 DBED CN1C(=O)C[C@@H](NS(=O)(=O)Cc2ccc(C#N)cc2)C1=O 88777712 OQYIJSDIROITGV-LLVKDONJSA-N 307.331 -0.265 30 20 DBED N#Cc1ccc(CS(=O)(=O)N(CC(=O)O)CC(=O)O)cc1 110969657 WNOWXNRWPZLXIB-UHFFFAOYSA-N 312.303 -0.141 30 20 DBED C/N=C(/NCCNS(C)(=O)=O)NC1CCN(C(C)C)CC1 172288900 NIGXXTAVVXFGDX-UHFFFAOYSA-N 319.475 -0.427 30 20 DBED C=CCN(CCCNS(=O)(=O)CC)[C@H]1CCS(=O)(=O)C1 178933188 CQEGYADTXSFHRK-LBPRGKRZSA-N 324.468 -0.009 30 20 DBED Cn1c(=O)oc2cc(S(=O)(=O)N3CC(O)(CC#N)C3)ccc21 191993041 CGZALWIONSUDRU-UHFFFAOYSA-N 323.330 -0.219 30 20 DBED N#Cc1nc(N)n(CC(=O)NC(=O)NC2CCCC2)c1C#N 193005445 SBPBJUQMEVIXMN-UHFFFAOYSA-N 301.310 -0.023 30 20 DBED N#Cc1ccc(N2CCN(Cc3nc(N)nc(N)n3)CC2)nc1 193772036 RWIBUXHKDVVNHR-UHFFFAOYSA-N 311.353 -0.375 30 20 DBED N#C[C@H]1CN(C(=O)CCN2C(=O)NC3(CCCC3)C2=O)CCO1 264487024 NADCSHRQILFUCZ-NSHDSACASA-N 320.349 -0.008 30 20 DBED COCCN(CC(=O)N(CCC#N)CCC#N)[C@H](C)C(N)=O 268372551 SEHOWBKBCHCUFS-GFCCVEGCSA-N 309.370 -0.535 30 20 DBED CCOC(=O)c1cnn(Cc2cc(=O)n(C)c(=O)n2C)c1C#N 273455073 HAYHAMLEBYGLNE-UHFFFAOYSA-N 317.305 -0.623 30 20 DBED C=CCC[C@@H](O)CN1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 276500066 WCOUGUAGSPKSPL-GFCCVEGCSA-N 323.397 -0.724 30 20 DBED CC[C@@H](C)[C@H](NC(=O)Cn1c(N)nc(C#N)c1C#N)C(=O)OC 298196920 AKUAROQSJUZOHT-PELKAZGASA-N 318.337 -0.087 30 20 DBED Cn1cc(CCC/N=C(/N)NCCCN2CCOCC2)cn1 303979900 NPCUDXVRHMXFMP-UHFFFAOYSA-N 308.430 -0.021 30 20 DBED CS(=O)(=O)N1CCC[C@@H](N/C(O)=N/CCN2CCC2)C1 328656999 OIICVUILXPRCTM-LLVKDONJSA-N 304.416 -0.380 30 20 DBED CN(C[C@@H](O)C(F)(F)F)/C(O)=N/CCN1C(=O)CCC1=O 330816478 CCRDEUPPHDTIGE-SSDOTTSWSA-N 311.260 -0.096 30 20 DBED N#C[C@H]1CN(S(=O)(=O)N2CCOCC23CCC3)CCO1 336946320 OFQJFTAUUGZBQS-NSHDSACASA-N 301.368 -0.290 30 20 DBED COc1ccc(NC(=O)C(=O)N(C[C@H](C)C#N)C2CC2)nn1 342262629 RRSJLYFAQWGFCK-SECBINFHSA-N 303.322 0.574 30 20 DBED CC(C)n1cc(C#N)c(NC(=O)C(=O)NCC2(CO)CCC2)n1 344864670 VLMFYYTZJHUHFT-UHFFFAOYSA-N 319.365 0.553 30 20 DBED C=C[C@H](CO)NS(=O)(=O)C1CN(C(=O)C2CCCC2)C1 349782678 JSAUWRBFXQINKE-LLVKDONJSA-N 302.396 -0.146 30 20 DBED C=CCN(C(=O)COCC(=O)OC)[C@H]1CCS(=O)(=O)C1 355249152 BEPKRJRYVMXBIR-JTQLQIEISA-N 305.352 -0.622 30 20 DBED C[C@@H](Nc1ccn(CC(=O)N(C)C)n1)C(=O)N(C)CCC#N 359073394 VHVGNYPNSSLKBR-LLVKDONJSA-N 306.370 0.144 30 20 DBED C=CCCN(C)C(=O)C(=O)N[C@H]1CCOC[C@H]1OCCOC 360198843 JKEVPEZOQDFPBE-QWHCGFSZSA-N 314.382 -0.042 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@](C)(OC)C2CC2)C1=O 360749289 DPZYPSCJTBEZQB-OAHLLOKOSA-N 323.349 -0.106 30 20 DBED CC(=O)N1CCCN(S(=O)(=O)N(C)C[C@@H](C)C#N)CC1 407955414 REUCMXHLFGYESL-NSHDSACASA-N 302.400 -0.123 30 20 DBED CN(CC(=O)N1CCN(CC(=O)N(C)C)CC1)CC(C)(C)C#N 433291838 XNCOMGXQGSDLLF-UHFFFAOYSA-N 323.441 -0.300 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2cccnc2C)CC1 491221654 YPVKSBYTXKIGSO-UHFFFAOYSA-N 300.362 -0.103 30 20 DBED COCCNC(=O)CN1CCN(c2cc(C#N)ncn2)CC1 514892737 AONRDGRFNTVTLF-UHFFFAOYSA-N 304.354 -0.767 30 20 DBED CC#CC[C@@H](NS(=O)(=O)N1CCOC(C)(C)C1)C(=O)O 543786523 FHQNMDPNMFMZID-SNVBAGLBSA-N 304.368 -0.202 30 20 DBED Cc1cc(C#N)cnc1C(=O)N1CCN(C(=O)[C@@H](C)O)CC1 560346364 WXPBSMPAPZEABW-LLVKDONJSA-N 302.334 -0.073 30 20 DBED CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N[C@@H](C)C#N)cc1 573610610 IDLWNOPGBQRFSW-VIFPVBQESA-N 324.362 -0.048 30 20 DBED C=CCSCCNC(=O)C(=O)N[C@H](C)[C@H]1CN(C)CCO1 586813221 APZZALFCWBNEGP-VXGBXAGGSA-N 315.439 -0.143 30 20 DBED C[C@H](C#N)N(C(=O)[C@H]1CCCN(S(N)(=O)=O)C1)C1CC1 598135621 ZLZALAWODFNTQV-ZJUUUORDSA-N 300.384 -0.195 30 20 DBED CN1CCN(CCCS(=O)(=O)N(CC#N)C2CC2)CC1 601320827 DGGPAEPWPWCQGP-UHFFFAOYSA-N 300.428 -0.058 30 20 DBED CC#CC[C@H](CO)NS(=O)(=O)N(CCOC)CCOC 645882011 AYELIABHRLSLQZ-GFCCVEGCSA-N 308.400 -0.810 30 20 DBED C=CCCNC(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 661572462 NZTOGHKHHFTUKV-SNVBAGLBSA-N 303.384 -0.445 30 20 DBED C=CCN(CCC(=O)N(C)CC(=O)O)[C@@H]1CCS(=O)(=O)C1 736108589 ILFLEIWGWRWMHE-LLVKDONJSA-N 318.395 -0.405 30 20 DBED C=CCS(=O)(=O)CCN1C(=O)[C@@H]2CSCCN2C1=O 762298729 XOLFMMUVKJQNJK-VIFPVBQESA-N 304.393 -0.033 30 20 DBED COc1cc(C#N)ccc1NC(=O)C(=O)N1CCCNC(=O)C1 766246551 CWQQUKDAFUTZPG-UHFFFAOYSA-N 316.317 -0.146 30 20 DBED C=CCS(=O)(=O)NC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O 772713370 OTMXWJCVLJZUNJ-UWVGGRQHSA-N 314.363 -0.206 30 20 DBED C#C[C@@H](NC(=O)CN1C(=O)C(=O)N(CC=C)C1=O)[C@H]1CCCO1 772886009 OKDWJOZARLGQKD-GHMZBOCLSA-N 319.317 -0.740 30 20 DBED C[C@H]1CCCC[C@H]1NC(=S)NN=C1C(=O)NC(=O)NC1=O 814215390 OPOKBKOGBBRPFC-NKWVEPMBSA-N 311.367 -0.249 30 20 DBED C#CC[C@H](CO)NC(=O)c1ccc(OCC(N)=O)c(OC)c1 820054898 SPQYDKUXPHQWIO-LLVKDONJSA-N 306.318 -0.327 30 20 DBED CN(CCN)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 842508458 CDBFTGOTDRHTOW-UHFFFAOYSA-N 310.379 -0.468 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)Cn1nc2n(c1=O)CCCC2 845232687 ZDCJBNYYVDAJEK-JTQLQIEISA-N 306.322 -0.938 30 20 DBED C#CCCN1CCN(C(=O)Cn2nc3n(c2=O)CCCC3)CC1 845361869 OAWHCXBOMUBGPM-UHFFFAOYSA-N 317.393 -0.451 30 20 DBED C#CC[C@@H](CO)NC(=O)[C@H](NS(=O)(=O)C1CC1)C(C)C 854542407 QQXFBNGCKMRUGU-CMPLNLGQSA-N 302.396 -0.407 30 20 DBED C#CC[C@H](CCOC)NC(=O)N1CC[C@H](S(=O)(=O)NC)C1 859024533 GNBCKQZGAUDUGN-NEPJUHHUSA-N 317.411 -0.252 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)NCc1cnnn1CC 859437771 FFNGTUXXQMSYLS-UHFFFAOYSA-N 307.354 -0.588 30 20 DBED CN(C)S(=O)(=O)CCS(=O)(=O)N1CCC[C@@H](CC#N)C1 882385666 FWNUHNFTXVZZNJ-NSHDSACASA-N 323.440 -0.167 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1cnon1 951762134 RESDLNJAUVGYBC-UMNHJUIQSA-N 306.322 -0.009 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H]1CNC(=O)c1cc(=O)n(C)cn1 956192631 LPDODCRUUVIRRQ-MNOVXSKESA-N 317.349 -0.339 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@](C)(NC(=O)c2c[nH]c(C(N)=O)c2)C1 956954693 ZGFCZJVUBFTDFJ-VFZGTOFNSA-N 317.349 -0.006 30 20 DBED Cn1nc(C(=O)NC[C@@H]2CN(CC#N)C[C@@H]2O)cc1C1CC1 958122115 QBVYMPPXKMJPOK-RISCZKNCSA-N 303.366 -0.156 30 20 DBED C=CCN1C[C@H](O)[C@H](CNC(=O)c2cn(C)nc2COC)C1 958183576 OZDOUSBIKFZURF-RISCZKNCSA-N 308.382 -0.225 30 20 DBED CCN(C(=O)[C@@H]1CCCN1C(N)=O)C1CN(C(=O)[C@@H](C)C#N)C1 968104932 NRZFVVPTVPCBKY-JQWIXIFHSA-N 321.381 -0.252 30 20 DBED C=CCN1CC[C@H](N[C@@H]2CCN(C(=O)[C@H](O)C(C)C)C2)C1=O 968563560 YZCMFVHFOSHOJB-HZSPNIEDSA-N 309.410 -0.019 30 20 DBED C#CCCN1CC([C@H](C)NC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 970198457 KXTDGROKWMLTEH-FZMZJTMJSA-N 315.377 -0.175 30 20 DBED CN(CC#N)[C@@H]1CCN(C(=O)Cn2nc3n(c2=O)CCCC3)C1 972682480 FPKVHDAYWBLCSI-GFCCVEGCSA-N 318.381 -0.563 30 20 DBED CC#CCN1C[C@H](NC(=O)CN2C(=O)CNC2=O)C(C)(C)C1 977582249 ZOJIZBGTSMVJLI-NSHDSACASA-N 306.366 -0.612 30 20 DBED N#CCN1C[C@H]2[C@H](CNC(=O)[C@H]3CCc4nn[nH]c4C3)[C@H]2C1 978942285 RRLFZUYVSBTXKA-FIQHERPVSA-N 300.366 -0.273 30 20 DBED C=CCN[C@@H]1CCC[C@@H](NC(=O)CN2CCN(C)C(=O)C2)C1 981182242 PPOFHUCPFKZXRG-ZIAGYGMSSA-N 308.426 -0.037 30 20 DBED N#Cc1ccc(C(=O)N2CC(NC(=O)Cc3cncnc3)C2)[nH]1 991069527 CTTMGIIULCIIHY-UHFFFAOYSA-N 310.317 -0.140 30 20 DBED C#Cc1ccc(C(=O)N2CC(NC(=O)c3cnnn3C)C2)cn1 991103842 XRJFKWFDBAAKHC-UHFFFAOYSA-N 310.317 -0.554 30 20 DBED C#CCN[C@@H]1CCCN(C(=O)c2coc(S(N)(=O)=O)c2)C1 999558268 XICVBDBIXYOXMR-LLVKDONJSA-N 311.363 -0.246 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)[C@]2(C)CCNC2=O)C1 999803662 JFIADNPFGMJBPM-BFQNTYOBSA-N 321.377 -0.569 30 20 DBED O=C(NCC1CN(C(=O)C#CC2CC2)C1)c1ccc2nn[nH]c2n1 1002585249 VIUGVTWVWSKDPW-UHFFFAOYSA-N 324.344 -0.046 30 20 DBED CC1(C)CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)[C@H]1CCNC1=O 1008402551 RJIWFDISMJXIDT-QWHCGFSZSA-N 317.389 -0.111 30 20 DBED N#Cc1ccc(C(=O)N2C[C@H]3C(NC(=O)c4nc[nH]n4)[C@@H]3C2)[nH]1 1013583556 LRLNRRXOZWBFAC-RKDXNWHRSA-N 311.305 -0.495 30 20 DBED C=C(C)CN[C@H]1CCN(C(=O)[C@H]2CCN(C)S2(=O)=O)C1 1019497446 WKFZJYSFEDAHOS-NWDGAFQWSA-N 301.412 -0.213 30 20 DBED C#CCN[C@H]1C[C@H](NC(=O)[C@@H]2COCCN2CC(F)F)C1 1020434996 VFLZVYCYHGMGKC-SRVKXCTJSA-N 301.337 -0.178 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CCN(C(=O)c3cn(C)c(O)n3)[C@@H]2C1 1022602246 VZOFPWDLEFSHMF-JBLDHEPKSA-N 317.349 -0.042 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC3(F)F)C[C@H]2O)[nH]1 1023429425 SPLXQHORCAZCNE-FBIMIBRVSA-N 324.287 -0.157 30 20 DBED C=C1CC(C)(C(=O)NC2CN(CCN3C(=O)CNC3=O)C2)C1 1030924137 KDYIXYJKYPUKTC-UHFFFAOYSA-N 306.366 -0.305 30 20 DBED CCN(C(=O)[C@H]1CCN(C)S1(=O)=O)[C@H]1CCN(CC#N)C1 1033985946 KCCGFZYSIYLILX-NWDGAFQWSA-N 314.411 -0.533 30 20 DBED N#CCN1CCO[C@H](CNC(=O)c2cnn3ccncc23)C1 1035396802 SNTPACDWIDJRQE-LLVKDONJSA-N 300.322 -0.317 30 20 DBED N#CCN1CCO[C@H](CNC(=O)[C@H]2CCCN(C(N)=O)C2)C1 1035435674 USIMOFVAQRPHNP-NWDGAFQWSA-N 309.370 -0.882 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2CN(CCCO)CCO2)nn1 1035534828 COCGLCBDGCDDMZ-LBPRGKRZSA-N 309.370 -0.723 30 20 DBED C=C(C)CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)Cn1ncn(C)c1=O 1037469795 LYHNIOCBPVEKGO-DYEKYZERSA-N 305.382 -0.263 30 20 DBED O=C(C#CC1CC1)NC[C@@]1(O)CCN(C(=O)C2CCOCC2)C1 1039681013 RSOZZSZRMZXFHH-KRWDZBQOSA-N 320.389 -0.094 30 20 DBED C[C@@H]1C[C@H]1C(=O)NC[C@]1(O)CCN(C(=O)CSCC#N)C1 1040496376 WDWHRCICDZVZOQ-JTNHKYCSSA-N 311.407 -0.021 30 20 DBED C#CCCCC(=O)N1CC[C@](O)(CNC(=O)C2(C(N)=O)CC2)C1 1040743671 VEMABOZNPGCQNG-HNNXBMFYSA-N 321.377 -0.865 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)c3cnsn3)C2)cn1 1040938083 CLNLYTMQFMHVIJ-VXGBXAGGSA-N 316.346 -0.216 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)CN3CCCC3)C2)cn1 1041053475 XTXLLBDIOQLTDR-HUUCEWRRSA-N 315.377 -0.285 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)C2CCCC2)C1 1041118697 PSMKQXYMPPYFAD-GFCCVEGCSA-N 308.378 -0.096 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)Cc2cc[nH]n2)C1 1042258175 CQJLTYFBWIUKQN-UHFFFAOYSA-N 304.350 -0.555 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)CO[C@@H]2CCOC2)C1 1042938044 OTYFESKGKOEZJO-CYBMUJFWSA-N 324.377 -0.859 30 20 DBED Cc1ncc(CC(=O)NCC2(O)CN(C(=O)[C@H](C)C#N)C2)o1 1043451937 UGQRNJZEOVLYRQ-SECBINFHSA-N 306.322 -0.625 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)CCC(F)F)C1 1043916384 QNMWBQJBUHXLQH-UHFFFAOYSA-N 318.320 -0.239 30 20 DBED C=CCN1CC[C@H](N2CC(N(C)C(=O)Cn3ccnc3)C2)C1=O 1044365571 UUXKSJZZUUKRHG-AWEZNQCLSA-N 317.393 -0.187 30 20 DBED C=C(C)C[C@H](C)C(=O)NCC1(O)CN(C(=O)c2cnn[nH]2)C1 1045064118 LHFLYZQSVXEVJA-JTQLQIEISA-N 307.354 -0.290 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)c2ncccn2)C1 1045216850 JZNHRGPEGPHJQW-UHFFFAOYSA-N 304.350 -0.008 30 20 DBED C=CCN1CC[C@@H](N2CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)C1 1046079421 WKBIKPYOBRMJSY-KGLIPLIRSA-N 306.410 -0.331 30 20 DBED Cn1nnc(C(=O)NC[C@H]2C[C@H](Nc3cncc(C#N)n3)C2)n1 1046992257 YPEQLVALHYDOJP-KYZUINATSA-N 313.325 -0.508 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2cc3n(n2)CCC3)C1 1047404559 WDOKOVQGHUBHJX-GJZGRUSLSA-N 302.378 -0.030 30 20 DBED CCNC(=O)CCC(=O)N(C)[C@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1O 1048547953 SDVZAHXTACEJLQ-SRVKXCTJSA-N 324.381 -0.908 30 20 DBED C#CCCN1C[C@H]2CN(C(=O)CCn3ncn(C)c3=O)C[C@H]2C1 1048957313 ILSIALAJXWDQJQ-OKILXGFUSA-N 317.393 -0.615 30 20 DBED N#Cc1ccc(N(CCO)[C@@H]2CCCN(C(=O)C(N)=O)C2)nc1 1049164644 RDHAWUOTPYDPQR-GFCCVEGCSA-N 317.349 -0.772 30 20 DBED Cn1cnc(C(=O)N2CCC[C@@H]3[C@H]2CCN3CC#N)cc1=O 1049530696 ZEZCQBBHQBWVGQ-CHWSQXEVSA-N 301.350 -0.017 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)[C@H]1CCn2cncc2C1 1050980650 YSNOZJCOTPUKPH-ZFWWWQNUSA-N 302.378 -0.104 30 20 DBED C#CCN1CCN([C@H]2CCN(C(=O)[C@@H](C)n3cncn3)C2)CC1 1052017189 FNBHYYLIVALIOR-CABCVRRESA-N 316.409 -0.309 30 20 DBED N#Cc1cc(C(=O)NC[C@H]2CCC3(CN(CC(N)=O)C3)O2)c[nH]1 1053593480 LTEKXYYSUWUYDU-GFCCVEGCSA-N 317.349 -0.665 30 20 DBED C=CCCN1CC2(C[C@@H](NC(=O)c3cc(=O)n(C)cn3)CO2)C1 1053836885 UEXRMSCUKYEZIJ-GFCCVEGCSA-N 318.377 -0.071 30 20 DBED CCn1nc(C)c(C(=O)N[C@H]2COC3(C2)CN(CC#N)C3)n1 1054025171 RXVZUBXDBZKOBW-LLVKDONJSA-N 304.354 -0.297 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@@H]2CN(C(=O)c3cnon3)C[C@@H]2C1 1055337757 FWYCGLUZUYBNTB-UTUOFQBUSA-N 318.333 -0.362 30 20 DBED Cn1cc(CC(=O)N2CCN(c3ccnc(C#N)n3)CC2)cn1 1055741437 VADLCIVDONHBON-UHFFFAOYSA-N 311.349 -0.027 30 20 DBED CN1CCO[C@H](C(=O)N2CCN(c3ccc(C#N)nn3)CC2)C1 1055750624 ASVYDWJMATYCOQ-ZDUSSCGKSA-N 316.365 -0.673 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@](CO)(NC(=O)c2n[nH]cc2F)C1 1056106424 KWRWKJQOJTUVNV-XPTSAGLGSA-N 323.328 -0.208 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)CCn1ccnn1 1057433746 VUBGXRQLHAZUDA-UHFFFAOYSA-N 321.381 -0.735 30 20 DBED C=C[C@](C)(O)CC(=O)N(CCO)CCNC(=O)CCOCC 1057449416 BSGYQGVVIQOXOC-HNNXBMFYSA-N 316.398 -0.323 30 20 DBED C#CCOCCC(=O)N(CCO)CCNC(=O)C1=CCOCC1 1057580471 CQPPWRFVUNPEHR-UHFFFAOYSA-N 324.377 -0.690 30 20 DBED COCCC1(C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N)CC1 1057817035 HYZFWIIRGNPGQK-LBPRGKRZSA-N 311.382 -0.100 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)CN1CCCCC1=O 1058060048 JGZWMXJHVPZQIX-LBPRGKRZSA-N 324.381 -0.904 30 20 DBED C=CC(C)(C)C(=O)N(CCO)CCNC(=O)CCNC(N)=O 1058303675 GJIKDIBFTFLRLO-UHFFFAOYSA-N 314.386 -0.806 30 20 DBED CN1CCO[C@@H](C(=O)N[C@@H]2CCN(c3ncccc3C#N)C2)C1 1058316635 DAWQCWZDIKXZNI-ZIAGYGMSSA-N 315.377 -0.021 30 20 DBED N#Cc1ccc(N2CC[C@H](NC(=O)[C@@H]3CCNC3=O)C2)nn1 1058507895 PXHOKVXOMXIEKP-WDEREUQCSA-N 300.322 -0.821 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)[C@H](C)c1cnn(C)c1 1058657021 ORNLXYDOZUKIMH-NWDGAFQWSA-N 321.381 -0.380 30 20 DBED CCOCCOCC(=O)NCCN(CCO)C(=O)[C@@H](C)C#N 1058661383 VCIMRJFTWVKHBF-LBPRGKRZSA-N 315.370 -0.864 30 20 DBED CN1CC[C@@H](C(=O)N2CC[C@H](N=c3cc[nH]cc3C#N)C2)C1=O 1059031634 GPJISKQVHICFEN-QWHCGFSZSA-N 313.361 -0.134 30 20 DBED C=CCCC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1CCC(=O)N1 1061411735 JQFWTCGOUZCULU-NEPJUHHUSA-N 309.366 -0.425 30 20 DBED C=CCOCC(=O)NC[C@H]1COCCN1C(=O)C[C@@H](C)OC 1061422039 ZNXRLIQTCMFXHE-OLZOCXBDSA-N 314.382 -0.042 30 20 DBED N#Cc1ccc(N2CCC[C@@H]2CNC(=O)[C@@H]2CNC(=O)N2)nn1 1061441028 NDMXEKLHPPKAMW-MNOVXSKESA-N 315.337 -0.885 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@H]1COCCN1C(=O)CCOC 1061543104 OYUAUOMJSYFIIW-WFASDCNBSA-N 314.382 -0.306 30 20 DBED C=CCCC(=O)N1CCOC[C@@H]1CNC(=O)[C@H]1CCCC(=O)N1 1061657630 NBAQYFLUOHMNPK-QWHCGFSZSA-N 323.393 -0.035 30 20 DBED C=CCCOCC(=O)NC[C@H]1COCCN1C(=O)c1nc[nH]n1 1061667178 AFSXQNGBAQQOIX-NSHDSACASA-N 323.353 -0.645 30 20 DBED C=CCCC(=O)N1CCOC[C@@H]1CNC(=O)c1c[nH]c(=O)cn1 1061825316 GMHBEUYLXCVPHO-NSHDSACASA-N 320.349 -0.307 30 20 DBED C#CCCCC(=O)N1CCOC[C@H]1CNC(=O)C1(C(N)=O)CC1 1061838190 DOTVUTWBVATGGF-GFCCVEGCSA-N 321.377 -0.601 30 20 DBED C=CCC1(C(=O)NC[C@@H]2COCCN2C(=O)CC(N)=O)CCC1 1061869737 WPZHQJHGBLQDKN-GFCCVEGCSA-N 323.393 -0.048 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(NC(=O)[C@H]2CNC(=O)N2)CCC1 1062865581 DFEHVAIQZTZCDP-YGRLFVJLSA-N 324.381 -0.850 30 20 DBED C[C@@H](Nc1nccnc1C#N)[C@H]1CCCN(C(=O)C(N)=O)C1 1063904770 PQUNARPGAGCMQB-ZJUUUORDSA-N 302.338 -0.127 30 20 DBED CCn1ncc(C(=O)N2CCO[C@H](CNC(=O)[C@@H](C)C#N)C2)n1 1065117279 LDGBYDGFFXQRME-WDEREUQCSA-N 320.353 -0.585 30 20 DBED C[C@]1(NC(=O)[C@@H]2COCCO2)CCN(c2cnc(C#N)cn2)C1 1065210008 IWRHASHXGKCNFA-WFASDCNBSA-N 317.349 -0.151 30 20 DBED N#Cc1nc(=NC[C@@H]2CN(C(=O)c3cnco3)CCO2)cc[nH]1 1066657596 MJHCIJRKPCRQLI-SNVBAGLBSA-N 314.305 -0.289 30 20 DBED Cn1cc(C(=O)NCC2[C@@H]3CN(c4ccnc(C#N)n4)C[C@@H]23)nn1 1068169144 GHCIIGAIOBBEAF-QWRGUYRKSA-N 324.348 -0.411 30 20 DBED C[C@@H](N=c1cc[nH]cc1C#N)[C@@H]1CN(C(=O)CC(N)=O)CCO1 1068227997 SJKNFSGIBYSYJV-MFKMUULPSA-N 317.349 -0.722 30 20 DBED C=C[C@](C)(CC)C(=O)N1CC2(CC[C@@H](CNC(=O)C(N)=O)O2)C1 1068620771 RGPUHXFAXKMYLC-XHDPSFHLSA-N 323.393 -0.050 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1COC2(C1)CN(C(=O)Cc1cnoc1)C2 1069007095 AMEBBIQQPVMTHB-ZYHUDNBSSA-N 318.333 -0.137 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)c2ccnn2C)CCOCC1 1070026297 ISWUBDBJFSBOMZ-LLVKDONJSA-N 319.365 -0.025 30 20 DBED C#CCCN1CCNC(=O)CCN(C(=O)[C@@H]2[C@H]3COC[C@H]32)CC1 1070987120 RMCZZALOLFEDKV-FOLVSLTJSA-N 319.405 -0.447 30 20 DBED C=CCCOCC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CNC(=O)N2)C1 1071207909 OUJMIFKXITVWDL-NEPJUHHUSA-N 324.381 -0.632 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H](NC(=O)CS(C)(=O)=O)C1 1071227121 ZYPXVVBWHCSSIV-VHSXEESVSA-N 301.368 -0.702 30 20 DBED C=CCCN1C[C@H](NC(=O)CN2CCNC(=O)C2)CC[C@H]1C 1071739690 XCPIVCSOEQNSSA-ZIAGYGMSSA-N 308.426 -0.037 30 20 DBED C=CCOCC(=O)N[C@H]1CN(C(=O)c2cc(=O)n(C)o2)C[C@H]1C 1071979576 WYSSUIJLSQGDIM-MNOVXSKESA-N 323.349 -0.242 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)c2cn(C)nc2OC)C1 1073722274 IWPVBPPRAIUKGA-GFCCVEGCSA-N 306.366 -0.117 30 20 DBED C[C@@H]1CN(C(=O)CSCC#N)CC[C@H]1NC(=O)CC(N)=O 1073840355 SMYSMFFYJYWPQM-NXEZZACHSA-N 312.395 -0.528 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CCN(C(=O)[C@H]2CCCO2)CC1 1074453260 VEKSFGZNMLGAOR-VXGBXAGGSA-N 309.366 -0.205 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H](C)CCNC(=O)COCCOC 1075956129 PMESLPKJVOCQOD-SWLSCSKDSA-N 316.398 -0.013 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC[C@H](C)NC(=O)CCNC(N)=O 1076308417 DZKJYUOWEVGMPR-IINYFYTJSA-N 314.386 -0.617 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)CC2CS(=O)(=O)C2)C1 1077264287 NKTAJYPTVPFXBC-VXGBXAGGSA-N 302.396 -0.842 30 20 DBED C=C[C@](C)(O)CC(=O)N(CC)C1CN(C(=O)c2nc[nH]n2)C1 1079687011 NVJMCNNVMGMFBP-AWEZNQCLSA-N 307.354 -0.195 30 20 DBED Cc1cc(C(=O)N2CCC(CO)(NC(=O)[C@@H](C)C#N)CC2)n[nH]1 1080979760 AFNIVTMAHXXYJT-JTQLQIEISA-N 319.365 -0.039 30 20 DBED C[C@H](C#N)C(=O)NC1(CO)CCN(C(=O)Cc2ncc[nH]2)CC1 1080981732 LCCRNTZUHNHQHN-LLVKDONJSA-N 319.365 -0.418 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@H](CNC(=O)CSC)C1 1081237864 VBVFYIGBJGLTNB-MNOVXSKESA-N 302.396 -0.513 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)Cc2cnc[nH]2)C[C@H]1O 1081347672 YVQYKJQBZUPPKJ-WCQYABFASA-N 322.365 -0.910 30 20 DBED CC(C)C#CC(=O)N1C[C@H](CNC(=O)Cc2cc[nH]n2)[C@@H](O)C1 1081369485 XVOUCZIYHFFNET-JSGCOSHPSA-N 318.377 -0.453 30 20 DBED C=CCCOCC(=O)NC[C@@H]1CN(C(=O)COCC)C[C@@H]1O 1081566140 BOXSIYSEXUEJKF-OLZOCXBDSA-N 314.382 -0.449 30 20 DBED C=CCCN1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)[C@H](OC)C1 1082130265 BJFHEPAZJKECBJ-YVECIDJPSA-N 311.382 -0.589 30 20 DBED CC#CCN1C[C@@H](NC(=O)c2ccc(C(N)=O)[nH]2)[C@H](OC)C1 1082144345 TXMDMYQYDXEDEW-CHWSQXEVSA-N 304.350 -0.434 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)c2ccnc3[nH]nnc23)C1 1083629985 VTRCZMDDUNYLHZ-MNOVXSKESA-N 300.322 -0.849 30 20 DBED N#CCN1CC[C@@H]2CCN(C(=O)[C@@H]3CCS(=O)(=O)N3)C[C@@H]21 1085095732 HVKJIUBXESNXCJ-WOPDTQHZSA-N 312.395 -0.876 30 20 DBED CN(C[C@H]1CCN1CC#N)C(=O)[C@@H]1Cc2cncn2C(=O)N1 1085737028 CFYFZSFCHIWPDI-PWSUYJOCSA-N 302.338 -0.578 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2C[C@@H](N[C@@H]3CCNC3=O)C2)nn1 1086219404 YLINCBNDXCKQND-GRYCIOLGSA-N 318.381 -0.549 30 20 DBED C#CCN1C[C@@H](NC(=O)Cn2ncnn2)[C@H](c2ccccc2)C1 1086587604 CMOFVGVCOOCXTG-LSDHHAIUSA-N 310.361 -0.110 30 20 DBED C#CCN[C@H]1CCCCCN(C(=O)c2nnc(O)nc2O)C1 1088342185 CVAKPBCLJBYDSV-JTQLQIEISA-N 305.338 -0.110 30 20 DBED C[C@@H](C[C@H](C)NC(=O)Cn1cnnn1)N=c1cc[nH]c(C#N)n1 1089215483 QMJNGIZOBDUZTO-UWVGGRQHSA-N 315.341 -0.848 30 20 DBED N#CCN1C[C@H]2[C@H]3CC[C@@H]([C@H]2C1)N(C(=O)Cn1cnnc1O)C3 1089796650 VAPUPWOMJOAVHB-CYDGBPFRSA-N 316.365 -0.324 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2cn3cccnc3n2)[C@H](O)C1 1090394924 YTLBWOUYZAYWDO-GXTWGEPZSA-N 313.361 -0.082 30 20 DBED CC[C@@H](C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1O)N(C)C 1090455186 OZRQTWRYVKGQTM-FRRDWIJNSA-N 318.381 -0.646 30 20 DBED CO[C@@H]1CN(c2ncnc3[nH]cnc23)C[C@H]1NC(=O)[C@@H](C)C#N 1090865283 SJPPGSIITAFFSF-IVZWLZJFSA-N 315.337 -0.168 30 20 DBED N#CCNC1CC(CNC(=O)c2coc(S(N)(=O)=O)c2)C1 1091103774 GTQZOIXHQTWFSE-UHFFFAOYSA-N 312.351 -0.451 30 20 DBED C#CCNC1CC(CNC(=O)[C@H]2CN3CC4CC3(CO2)C4)C1 1091151373 VHLNUKQIBSTLBN-UZZMVUAXSA-N 303.406 -0.033 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@@H]1O 1091152854 KBHJIQTWXVZDEF-GLQYFDAESA-N 314.345 -0.343 30 20 DBED C#CCN1C[C@@H]2CN(C(=O)[C@@H]3COCCN3C(C)=O)C[C@]2(C)C1 1092287747 JCKFZGCFZSOOPC-VYDXJSESSA-N 319.405 -0.353 30 20 DBED CC(C)C#CC(=O)N[C@H]1[C@@H]2CN(c3ccc4nnnn4n3)C[C@@H]21 1093256835 VVJXQFOWIDBGRC-HBYGRHMLSA-N 311.349 -0.271 30 20 DBED CCNC(=O)CC(=O)NC1[C@@H]2CN(c3nccnc3C#N)C[C@@H]12 1093266039 NAGIDDUHWLHPIW-NXEZZACHSA-N 314.349 -0.575 30 20 DBED C[C@]1(C(=O)NCCNc2nccnc2C#N)CCCS1(=O)=O 1093721446 PNBMDOHBZKUZOZ-CYBMUJFWSA-N 323.378 -0.156 30 20 DBED CN1C(=O)CCC[C@H]1C(=O)NCCNc1cncc(C#N)n1 1093786082 OZKDDMGFNLUYBJ-NSHDSACASA-N 302.338 -0.113 30 20 DBED N#Cc1cncc(NCCNC(=O)C(=O)NCC(F)(F)F)n1 1093810394 KEQKFDAXTAOEBD-UHFFFAOYSA-N 316.243 -0.445 30 20 DBED CCN1CCOC[C@@H]1C(=O)NCCNc1ccc(C#N)nn1 1093977244 KCZMOYKODCOEBI-GFCCVEGCSA-N 304.354 -0.403 30 20 DBED N#Cc1c[nH]ccc1=NCCNC(=O)c1ccc2nn[nH]c2n1 1094209951 SRIHMRJTOYYKNZ-UHFFFAOYSA-N 308.305 -0.117 30 20 DBED N#CCN1CC(n2cc(CNC(=O)[C@@H]3C[C@H]4C=C[C@H]3O4)nn2)C1 1094302697 VDPJMWPIANXGOA-MGPQQGTHSA-N 314.349 -0.382 30 20 DBED C=CCN1CCN(C(=O)c2cncn2C)[C@@H]2CS(=O)(=O)C[C@@H]21 1094641812 AVAOZMKSRUMOOZ-QWHCGFSZSA-N 324.406 -0.471 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)c3c(C)cnn3C)CC2=O)C1 1094772915 JQMSNQVNWRYDLP-GFCCVEGCSA-N 315.377 -0.623 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)c3n[nH]cc3F)CC2=O)C1 1094785396 OCGJKPROIFTNKK-VIFPVBQESA-N 305.313 -0.803 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](Nc2nccc(C)n2)C1 1095034870 GJHSWFUKRAFZKF-GFCCVEGCSA-N 301.350 -0.063 30 20 DBED COC(=O)NCC(=O)NCCCN(C)c1nc(C)cc(C#N)n1 1095484036 SQQVRFOJPFHJDQ-UHFFFAOYSA-N 320.353 -0.045 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CCN(c2ccc3nnnn3n2)C1 1096360388 MUNZHSPQRTVYBB-QMTHXVAHSA-N 317.353 -0.459 30 20 DBED CC(=O)NCC(=O)NC[C@@H]1CCCN(c2ccc(C#N)nn2)C1 1097266739 AEEANRPEDWKXEJ-LBPRGKRZSA-N 316.365 -0.183 30 20 DBED C[C@@H](CNC(=O)C(=O)NCC1CC1)Nc1ccc(C#N)nn1 1098013043 XCAHHGBMXDXDGU-VIFPVBQESA-N 302.338 -0.209 30 20 DBED C#CCNCc1cn([C@H]2CCN(C(=O)[C@@H]3COCCO3)C2)nn1 1098622984 URHJRCUOGSRSCI-KBPBESRZSA-N 319.365 -0.810 30 20 DBED C[C@H](CCNC(=O)Cn1cnnn1)Nc1ccc(C#N)cn1 1098818294 YLASZZARVRRFKS-SNVBAGLBSA-N 300.326 -0.053 30 20 DBED C[C@H](CCNC(=O)Cn1cnnc1O)N=c1cc[nH]cc1C#N 1098989963 PJDFMOYNPMOUPQ-SNVBAGLBSA-N 315.337 -0.321 30 20 DBED Cc1nc(CN2CC[C@H](NC(=O)CSCC#N)[C@H](O)C2)n[nH]1 1099692954 JTOZDAXAAREVMA-WDEREUQCSA-N 324.410 -0.579 30 20 DBED C=C(Cl)C(C)(C)C(=O)N[C@H]1CCN(CC(N)=O)C[C@H]1O 1099850126 MSQWYDFPEPKRPG-VHSXEESVSA-N 303.790 -0.198 30 20 DBED C#CCN1CC[C@@H](NC(=O)CCc2ccnc(C)n2)[C@@H](O)C1 1099930367 FEXADLOWDWIFIE-CABCVRRESA-N 302.378 -0.098 30 20 DBED COCC#CCN1CC[C@H](NC(=O)C2(CN(C)C)CC2)[C@@H](O)C1 1099971976 PBMGNSMPUNWUFX-GJZGRUSLSA-N 323.437 -0.471 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)C2CC3(CC3)C2)[C@H](O)C1 1099998496 IANDIEOTYVRMLA-UONOGXRCSA-N 319.405 -0.523 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)Cc2ccco2)[C@H](O)C1 1100042180 VMBXLHOKBYOSSV-ZIAGYGMSSA-N 319.361 -0.877 30 20 DBED CN1CC[C@H](CC(=O)NCCN(C)c2cnc(C#N)cn2)C1=O 1100190825 KTLJMVHAACMYEC-LLVKDONJSA-N 316.365 -0.231 30 20 DBED CN(CCNC(=O)[C@]1(C)CCNC(=O)C1)c1cnc(C#N)cn1 1100398352 DSRHXROKKFMZDA-OAHLLOKOSA-N 316.365 -0.183 30 20 DBED C=CCNC(=O)[C@@H](C)NC1CC(CNC(=O)C2(C(N)=O)CC2)C1 1100632685 LHLCTPLISYDYGN-VOMCLLRMSA-N 322.409 -0.573 30 20 DBED CCN(CCNC(=O)[C@@H]1CNC(=O)N1)c1cc(C)ncc1C#N 1100699226 ZXNSIQOIFLFSRD-LBPRGKRZSA-N 316.365 -0.114 30 20 DBED N#Cc1cnc(N(CCNC(=O)Cn2nccn2)C2CC2)cn1 1101395391 OPGDRSXIEVEDKK-UHFFFAOYSA-N 312.337 -0.275 30 20 DBED N#Cc1cccnc1N(CCNC(=O)[C@H]1CNC(=O)N1)C1CC1 1101432572 DRESVLOOKSHDBF-GFCCVEGCSA-N 314.349 -0.280 30 20 DBED CN(CCNc1ccc(C#N)nn1)C(=O)CCN1CCOCC1 1101685271 XAMUXVNDIMKMLJ-UHFFFAOYSA-N 318.381 -0.059 30 20 DBED C=CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)CNC(=O)CC)C1 1101815295 ABDDWWNNAVVFMS-CHWSQXEVSA-N 324.425 -0.501 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CCN(C)C1=O)CNc1cncc(C#N)n1 1104159033 HWHRLPIODPPDTR-PWSUYJOCSA-N 316.365 -0.009 30 20 DBED C[C@H](CNc1ccc(C#N)cn1)N(C)C(=O)Cn1cnnn1 1104448091 WSCNMSHLXZMAPS-SNVBAGLBSA-N 300.326 -0.101 30 20 DBED CC(=O)N(C)CC(=O)N(C)CCN(C)c1ccc(C#N)nn1 1105329621 QOTWYFJHPAVJBP-UHFFFAOYSA-N 304.354 -0.279 30 20 DBED C#CCN1CC(OC2CCN(C(=O)C[C@@H](C)NC(N)=O)CC2)C1 1105707159 OYEQXUZLGRGFEW-GFCCVEGCSA-N 322.409 -0.242 30 20 DBED Cn1oc(C(=O)NC[C@@H](O)CNc2ccc(C#N)cn2)cc1=O 1105797320 XAZBLKWUHDTPMZ-JTQLQIEISA-N 317.305 -0.552 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)C[C@H]2COC(=O)C2)cn1 1105819862 MQHMEQMGFZWCQU-MFKMUULPSA-N 318.333 -0.205 30 20 DBED C[C@@H]1CN(C(=O)[C@H]2CCCN(C(N)=O)C2)C[C@H]1CNCC#N 1106394351 SRBYUIWQTDXTSG-FRRDWIJNSA-N 307.398 -0.015 30 20 DBED N#Cc1nc(=NC/C=C\CNC(=O)CCn2ccnn2)cc[nH]1 1107168026 AKTDKDGSQVMKDN-UPHRSURJSA-N 312.337 -0.464 30 20 DBED C=CCCN1CCO[C@@](C)(CNC(=O)Cn2cnnc2O)C1 1107886403 HYSLYCPPLAYFBV-AWEZNQCLSA-N 309.370 -0.233 30 20 DBED C#CCCCCC(=O)N[C@H]1CC(=O)N(C2CN(CC(N)=O)C2)C1 1108536917 KFKCWBCLWGJALZ-LBPRGKRZSA-N 320.393 -0.933 30 20 DBED CNC(=O)NCC(=O)N1C[C@H]2C[C@H](NCC#CCOC)C[C@H]1C2 1108699099 ORLGGOVNXVPDKW-MELADBBJSA-N 322.409 -0.466 30 20 DBED C[C@@H](CN(C)c1cncc(C#N)n1)NC(=O)C[C@H]1CCC(=O)N1 1109008513 QLGOWQUVVQSYOL-WDEREUQCSA-N 316.365 -0.042 30 20 DBED CNC(=O)NCCC(=O)N(C)CCCN=c1cc[nH]c(C#N)n1 1109438311 MYCKPDIZXCKUHQ-UHFFFAOYSA-N 319.369 -0.650 30 20 DBED CN(CCCN=c1cc[nH]cc1C#N)C(=O)[C@@H]1CCC(=O)N1 1109487206 ZWZSBAPKEGADEO-ZDUSSCGKSA-N 301.350 -0.086 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1[nH]nnc1C 1109587585 PLSJHRROPOQIJH-WOPDTQHZSA-N 316.365 -0.802 30 20 DBED N#Cc1ccc(NC[C@@H](NC(=O)[C@H]2CCNC2=O)C2CC2)nn1 1109946654 XQFBAUCBQMLQGA-NWDGAFQWSA-N 314.349 -0.209 30 20 DBED C[C@H](NC(N)=O)C(=O)N1CCC[C@H]1CN=c1cc[nH]c(C#N)n1 1110539843 NNVTWAGEGFROET-UWVGGRQHSA-N 317.353 -0.770 30 20 DBED CC(=O)NCC(=O)N1C[C@@H]2CN(c3nccnc3C#N)C[C@@H]2C1 1111286432 MDQYOFDYYFKMGJ-TXEJJXNPSA-N 314.349 -0.621 30 20 DBED C#CCO[C@H](C)C(=O)N(CCO)CCN=c1cc[nH]cc1C#N 1111510917 PTFYUALVAUKJKP-CYBMUJFWSA-N 316.361 -0.354 30 20 DBED N#Cc1ccc(NCCN(CCO)C(=O)Cc2cnc[nH]2)nn1 1111569563 BBNAAZRKFFAZSO-UHFFFAOYSA-N 315.337 -0.453 30 20 DBED N#Cc1c[nH]ccc1=NC1(CNC(=O)[C@@H]2COC(=O)N2)CCC1 1111803881 VBKGDIHBSGJNAR-LBPRGKRZSA-N 315.333 -0.066 30 20 DBED CNC(=O)NCC(=O)N1C[C@@H](C)[C@@H](Nc2cnc(C#N)cn2)C1 1112340535 NOHAURAXFMSQKO-KOLCDFICSA-N 317.353 -0.464 30 20 DBED C[C@H](NC(=O)Cn1cnnc1O)[C@@H](C)N=c1cc[nH]cc1C#N 1112977631 CVNOVSAXQPEAEN-ZJUUUORDSA-N 315.337 -0.322 30 20 DBED C[C@H](NC(=O)Cn1ncnn1)[C@@H](C)Nc1cnc(C#N)cn1 1113193959 NKXCUXKAFBDZCD-BDAKNGLRSA-N 301.314 -0.660 30 20 DBED COCC#CCN1CCN(C(=O)CCN2CCOCC2)CC1 1113432122 LOVWPWWTAZIYLN-UHFFFAOYSA-N 309.410 -0.497 30 20 DBED CCNC(=O)CCC(=O)NC1[C@H]2CN(CC#CCOC)C[C@H]12 1114044987 QNBKNLFAGUWRHM-STQMWFEESA-N 307.394 -0.401 30 20 DBED CCN(CCC#N)C(=O)CN1C[C@H]2C(NC(=O)[C@@H](C)C#N)[C@@H]2C1 1114064455 REJKGPLBBQMESX-YNEHKIRRSA-N 317.393 -0.045 30 20 DBED C=C(C)CCN1C[C@@H]2C(NC(=O)CCNS(C)(=O)=O)[C@H]2C1 1114361991 XMNBGHZNTBOFJO-RYUDHWBXSA-N 315.439 -0.062 30 20 DBED C#CCCN1C[C@H]2C(NC(=O)CN(C)CC(=O)NC(C)C)[C@@H]2C1 1114521364 NXYUWBZPWZGVOI-ZIAGYGMSSA-N 320.437 -0.488 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)c3ccc(C(N)=O)o3)[C@H]2C1 1114539672 BFPSEJVMCPJHLT-YABSGUDNSA-N 317.345 -0.312 30 20 DBED N#Cc1nccnc1N1C[C@H]2[C@H](CNC(=O)CC(N)=O)[C@H]2C1 1114547312 TWAWDRICKYIGMK-OWUUHHOZSA-N 300.322 -0.978 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)c3[nH]nnc3C)[C@H]2C1 1114661879 ZPUXZCBAUCWFRA-DCQANWLSSA-N 318.381 -0.536 30 20 DBED CC(C)[C@H](NS(C)(=O)=O)C(=O)N[C@H]1[C@@H]2CN(CC#N)C[C@@H]21 1114942604 NUHKMSJKLSXZQT-WHOHXGKFSA-N 314.411 -0.870 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)c3nccs3)[C@H]2C1 1115011285 UAUVEUZKKDUBEG-DCAQKATOSA-N 318.402 -0.059 30 20 DBED C[C@H]1CC(=O)NCCN1C(=O)C(=O)NCC#Cc1ccccc1 1116987047 BJAQKTTYYLLPKM-ZDUSSCGKSA-N 313.357 -0.109 30 20 DBED N#Cc1ccc(NC(=O)C(=O)NC[C@@H](O)COCC2CC2)nc1 1117746916 QAUDIRCOQDDAIP-GFCCVEGCSA-N 318.333 -0.205 30 20 DBED C#CCNC(=O)C1CCN(c2nnnn2[C@H]2CO[C@@H](C)C2)CC1 1120160347 QUQVLTFCORAKTN-WCQYABFASA-N 318.381 -0.011 30 20 DBED C=CCCO[C@H](C)C(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1 1121172867 VECHGKKSTHZWOZ-NEPJUHHUSA-N 319.365 -0.360 30 20 DBED N#Cc1cncc(N[C@@H](CO)CNC(=O)c2ncccc2O)n1 1121340515 YNPQXLLBGJNZPK-SNVBAGLBSA-N 314.305 -0.348 30 20 DBED N#Cc1cnc(N[C@@H](CO)CNC(=O)CCNC(N)=O)c(F)c1 1121591577 RMGXTTBGHMYGJE-SECBINFHSA-N 324.316 -0.960 30 20 DBED Cc1nonc1CC(=O)NC[C@@H](CO)Nc1ccc(C#N)nn1 1121956934 YTBFPHRLEHDYAQ-JTQLQIEISA-N 317.309 -0.829 30 20 DBED CC#CCNC1CC2(C1)CC(NC(=O)Cn1c(O)nnc1O)C2 1122119327 VUFKQXZZOAAWFB-UHFFFAOYSA-N 319.365 -0.270 30 20 DBED N#Cc1c(F)cccc1N[C@H](CO)CNC(=O)[C@H]1CCNC1=O 1122353574 BUSSXVPAABILFZ-UWVGGRQHSA-N 320.324 -0.278 30 20 DBED Cc1nc(C)c(C(=O)NC[C@H](CO)Nc2nccnc2C#N)[nH]1 1122592614 FAZUTPZSPHQKOT-SNVBAGLBSA-N 315.337 -0.109 30 20 DBED COC[C@@H](OC)C(=O)N(C)C[C@@H](O)CNc1cncc(C#N)n1 1124722253 WLEKQDYBBXFQMN-NWDGAFQWSA-N 323.353 -0.759 30 20 DBED C#CCOCCC(=O)NCCNCCCNC(=O)C(F)(F)F 1127032052 QCMNFNMBIVEDDA-UHFFFAOYSA-N 323.315 -0.199 30 20 DBED CC#CCNCc1cccc(N2CC[C@@H](NC(=O)C(N)=O)C2)n1 1128119196 TWHMWHRSBZNFNY-CYBMUJFWSA-N 315.377 -0.625 30 20 DBED C=CCOCC(=O)N1C[C@H](n2ccnn2)[C@H](NCCOC)C1 1129680791 AIPHRBQAKHCXBM-OLZOCXBDSA-N 309.370 -0.531 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1ccn2c1CCCC2 1129700552 IMEBURLKQJOZBR-UHFFFAOYSA-N 302.378 -0.107 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCN[C@H]1CCN(CC=C)C1=O 1129770883 MQAMQMNQRAARDO-GJZGRUSLSA-N 318.421 -0.423 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1131524558 ITQZQWHXZSJNGH-IIEFLBBWSA-N 307.394 -0.194 30 20 DBED COC(=O)NCC(=O)N1C[C@H](C)O[C@@]2(CCN(CC#N)C2)C1 1131638244 JGXUHTGIRAZFFQ-SMDDNHRTSA-N 310.354 -0.442 30 20 DBED C=C1CC(C)(C(=O)NCCNCC(=O)N[C@H](C)C(=O)N(C)C)C1 1133571090 GKGFPNOPUGQPKD-GFCCVEGCSA-N 324.425 -0.359 30 20 DBED C=CCCC(=O)N[C@@H](C)C[C@@H](C)NCC(=O)N1CCNC(=O)C1 1133888378 IYYITURWOFYNIG-OLZOCXBDSA-N 324.425 -0.216 30 20 DBED C[C@H](C[C@@H](C)NC(=O)CN1C(=O)NC(=O)C1(C)C)NCC#N 1135882812 UHBGLFSNVKDHKS-NXEZZACHSA-N 309.370 -0.287 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1conc1COC 1147556814 JUEXOUKBJKVRJV-JTQLQIEISA-N 308.338 -0.722 30 20 DBED N#Cc1cccc(CNCCNC(=O)[C@H]2CCS(=O)(=O)N2)c1 1151300808 QATMCVVEXWPAQG-CYBMUJFWSA-N 322.390 -0.544 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)Cn1ccnc1 1153500014 CIOYDWOEYYHTHW-UHFFFAOYSA-N 305.382 -0.211 30 20 DBED O=C(C[C@H]1CC(=O)NC1=O)NCCNCC#Cc1ccccc1 1153882861 QCCRXQXCGMTFPZ-AWEZNQCLSA-N 313.357 -0.203 30 20 DBED C[C@H](C#N)C(=O)NCCCNCc1cc(=O)n2nccc2[nH]1 1155836748 RIZOKTOYLHFVTO-SNVBAGLBSA-N 302.338 -0.222 30 20 DBED CO[C@H](C)C(=O)NCCC1=CCN(CC(=O)NCC#N)CC1 1159451994 DGBQDMMAALGJHI-GFCCVEGCSA-N 308.382 -0.201 30 20 DBED CC[C@H]1OCCC[C@H]1C(=O)NCCCNCC(=O)NCC#N 1159621879 VVQBEIGRYVUKRE-CHWSQXEVSA-N 310.398 -0.073 30 20 DBED C=CCNC(=O)[C@H](C)NCC1(CCNC(=O)CNC(C)=O)CC1 1163190776 MVXYBYUPGFOVID-LBPRGKRZSA-N 324.425 -0.311 30 20 DBED C#CCO[C@H](C)C(=O)NCCC1(CNCC(=O)NCC#N)CC1 1164519906 WEUOCXKUYGNAHS-CYBMUJFWSA-N 320.393 -0.459 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)COCCN(C)C 1171217994 QEHSUNAPQDSDDI-CYBMUJFWSA-N 314.430 -0.649 30 20 DBED C#CCN1CCC(C(=O)NCCCNCc2cnnn2C)CC1 1176926977 ZWDVLSVVEVNDEL-UHFFFAOYSA-N 318.425 -0.244 30 20 DBED Cc1nn(C)cc1C(=O)N1CC[C@H](NCC(=O)NCC#N)[C@@H]1C 1178363988 PPXCJJSGAHSPFI-AAEUAGOBSA-N 318.381 -0.439 30 20 DBED C#CCCNCCCCCCNC(=O)C[C@@H]1NC(=O)NC1=O 1178718999 DAVUAYHHEDENAB-LBPRGKRZSA-N 308.382 -0.126 30 20 DBED C=CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)Cc2nc[nH]n2)[C@H]1C 1179895143 KCMQKGQCNSDVCI-SRVKXCTJSA-N 320.397 -0.383 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](C)[C@](C)(CNCC(=O)NC(N)=O)C1 1180914370 QDTUWFIUYRYUMT-IMSIIYSGSA-N 309.370 -0.585 30 20 DBED C#CCNC[C@]1(C)CN(C(=O)Cn2c(O)nnc2O)C[C@H]1C 1183290846 DSABPCDQJUXRAN-QMTHXVAHSA-N 307.354 -0.603 30 20 DBED CC#CCN[C@@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)C1 1187069269 JYSBTDOQMZAYEI-SNVBAGLBSA-N 300.322 -0.755 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)CCc2ncc[nH]2)C1 1189873420 DTDQJECSAXJDLT-ZDUSSCGKSA-N 317.393 -0.376 30 20 DBED CC#CCCCC(=O)N1CC[C@H](N(C)CC(=O)NC(N)=O)C1 1191839722 RHMTVAMVFNOWEL-LBPRGKRZSA-N 308.382 -0.092 30 20 DBED C#CCCN(C)[C@H]1CCN(C(=O)CC[C@H]2NC(=O)NC2=O)C1 1193905316 IHBJYICOHNMQEM-NWDGAFQWSA-N 306.366 -0.469 30 20 DBED C#CCNC(=O)[C@H](C)N1CCCN(C(=O)C[C@](C)(O)C=C)CC1 1195681561 FZZWPZZBHZZJRV-WMLDXEAASA-N 321.421 -0.014 30 20 DBED C=CCNC(=O)[C@H](C)N1CCCN(C(=O)[C@@H]2CCNC2=O)CC1 1196724577 KZDVEQSKXUDZJN-QWHCGFSZSA-N 322.409 -0.653 30 20 DBED CC#CCNC[C@H]1CN(C(=O)C(=O)NCC(F)F)CCCO1 1200873083 DTSIXHSINBMPFZ-NSHDSACASA-N 317.336 -0.402 30 20 DBED COCC#CCN1C[C@@H](NC(=O)c2ccc(O)nn2)[C@H](C)C1 1205847813 WAPWLQJLTDDOBP-DGCLKSJQSA-N 304.350 -0.118 30 20 DBED C=CCNC(=O)CNCC1CCN(C(=O)[C@@H]2CCNC2=O)CC1 1205866967 QHSNTSZPUHLQLA-CYBMUJFWSA-N 322.409 -0.747 30 20 DBED C[C@@H]1CN(CCOCCO)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 1206875301 GDFJOSYRNRBYJN-BXUZGUMPSA-N 306.366 -0.055 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCC[C@H](NCCN2CCNC2=O)C1 1207950366 KOGHKTYXTAUUIU-BBRMVZONSA-N 324.425 -0.081 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)[C@H](C)NC(=O)CC)C1 1208121313 NEEJCKSTQYVFQE-STQMWFEESA-N 324.425 -0.216 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H](NC[C@@H](O)COC)C1 1208352875 RJMXPPMVOKQKGK-OAGGEKHMSA-N 323.437 -0.328 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)C(C)(C)COC)C1 1208567316 WHRNOJZDJDSHFM-CYBMUJFWSA-N 309.410 -0.011 30 20 DBED N#CCNC(=O)CN[C@H]1CCCN(C(=O)Cc2cscn2)C1 1209982147 MVNWVMMAXHITEU-NSHDSACASA-N 321.406 -0.094 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CCN(C)C2=O)C[C@H]1C 1215365675 NWLNMRFODMDZIQ-JHJVBQTASA-N 322.409 -0.797 30 20 DBED C=C(Cl)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)CNC(N)=O 1217270524 PCPLFRGEFPTAPX-VHSXEESVSA-N 302.762 -0.681 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)Cc2cccs2)C1 1219098296 GEZLNKSTZIYOJW-OLZOCXBDSA-N 321.402 -0.799 30 20 DBED N#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C2[C@@H]3CCCC[C@@H]23)C1 1219415752 FXSVAXMOPBSRHR-LPWJVIDDSA-N 320.393 -0.776 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(CCC(C)(C)C)C[C@@H]1O 1219487243 IHNFIKZTMQKIFP-OLZOCXBDSA-N 309.410 -0.277 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)C(=O)Nc2ccccc2)C1 1219945960 DCMUNVSJKBGFIJ-KGLIPLIRSA-N 301.346 -0.190 30 20 DBED CC#CCCCC(=O)N[C@@H]1CN(CC(=O)NC2CC2)C[C@@H]1O 1220184781 RHFGJOYSFFZEOX-KGLIPLIRSA-N 307.394 -0.380 30 20 DBED C=C1CCC(C(=O)N[C@@H]2CN(CC(=O)NC(N)=O)C[C@@H]2O)CC1 1220274921 JCIYAFZJSZGYIX-NEPJUHHUSA-N 324.381 -0.911 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)CNC(=O)CC(C)(C)C)C1 1221007537 OFILDVFVYKUORZ-OLZOCXBDSA-N 309.410 -0.277 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)CS(=O)(=O)CCCC)C1 1221105363 GAUDMYICTVMQLH-OLZOCXBDSA-N 316.423 -0.614 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@@H]2CN(C(=O)c3cn[nH]c3)[C@@H]2C1 1221302821 QOPHVNWCGHKZAD-OUCADQQQSA-N 315.377 -0.306 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)c2ncccn2)CC1 1229686688 XSHUOTGYEVLPOA-UHFFFAOYSA-N 301.350 -0.580 30 20 DBED C=CCS(=O)(=O)CCNC(=O)NC[C@H](CO)[C@H]1CCOC1 1256428901 VORWEJDFHUEHPU-NWDGAFQWSA-N 320.411 -0.469 30 20 DBED CNC(=O)CCCNC(=O)C(=O)Nc1cc(C)c(C#N)cn1 1261547199 DRNRCAQSYPXBRH-UHFFFAOYSA-N 303.322 -0.157 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)Nc2cccc(C(N)=O)c2)CCO1 1318300400 JYUOGLWYIXETTN-LLVKDONJSA-N 302.290 -0.525 30 20 DBED C=CCNC(=O)CNC(=O)N[C@@H](C)C(=O)NCC(F)(F)F 1320094303 IXEPSHZQQUWPGQ-ZETCQYMHSA-N 310.276 -0.345 30 20 DBED C[C@H](O)CNC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 1324171611 TWHHEHUUZFAHBG-VIFPVBQESA-N 314.305 -0.426 30 20 DBED C#CCC[C@H](O)CNC(=O)C(=O)Nc1c(C)ccn(C)c1=O 1325146771 RMFABWLMWVITKS-NSHDSACASA-N 305.334 -0.477 30 20 DBED C=CCOCCNC(=O)C(=O)N1CCC(C2OCCO2)CC1 1327052555 ISJNFVLUJOAPSI-UHFFFAOYSA-N 312.366 -0.083 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N(CC)[C@@H](C)CS(C)(=O)=O 1327260458 ZXQZKNSFJRIWQY-WDEREUQCSA-N 320.411 -0.415 30 20 DBED Cn1ncc2c(=O)n(N=Cc3nnn(C(C)(C)C)n3)cnc21 1328003043 YKVNEKOWDDDXKM-UHFFFAOYSA-N 301.314 -0.246 30 20 DBED C=CCN(C(=O)C(=O)NC1CN(C(=O)OC)C1)[C@H](C)COC 1330556595 MIDGJBUPNGHIEU-SNVBAGLBSA-N 313.354 -0.397 30 20 DBED C[C@](C#N)(NC(=O)COC(=O)[C@H]1CCS(=O)(=O)N1)C1CC1 1332586883 GYXLPDXERCSTJL-BXKDBHETSA-N 315.351 -0.970 30 20 DBED C#C[C@@H](NC(=O)C(=O)N(CC)CCC(=O)NC)[C@@H]1CCCO1 1334245424 UKHCIYMUNWOEGR-NEPJUHHUSA-N 309.366 -0.732 30 20 DBED C=CCn1c([C@H](C)CO)nnc1N1CCO[C@H](C(=O)OC)C1 1339774143 JYLXOYDRVCODFR-MNOVXSKESA-N 310.354 -0.062 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N[C@@H]1CCO[C@]2(CCOC2)C1 1346866653 OJFVHZVQYQIYHZ-RHSMWYFYSA-N 318.373 -0.074 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)N2CC(OCC(F)F)C2)C1 1348690034 WQEVRFXNPSVBBF-ZDUSSCGKSA-N 317.292 -0.644 30 20 DBED C#CC1CCN(C(=O)C(=O)NCCCS(C)(=O)=O)CC1 1349189509 OAEYSTQKCHJKCG-UHFFFAOYSA-N 300.380 -0.591 30 20 DBED C#CCOc1ccccc1CNC(=O)C(=O)N[C@@H]1CCNC1 1351546817 USJCURYIXZGDHM-CYBMUJFWSA-N 301.346 -0.207 30 20 DBED C[C@H](C#N)C(=O)N[C@@H](CNC(=O)c1cc(=O)n(C)cn1)C1CC1 1372405746 LEPGYCYXCARCMP-SKDRFNHKSA-N 317.349 -0.435 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1cnc2cccnn12 1376629337 PAEPDURGTBRQOP-NXEZZACHSA-N 316.321 -0.904 30 20 DBED C=C(Cl)CNC[C@H](O)CNC(=O)c1cccc(C(N)=O)n1 1379290738 KLWCTXARHCKVLU-VIFPVBQESA-N 312.757 -0.387 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](NC(=O)CCNC(N)=O)C(C)(C)C 1384354343 CBNSUMAQUWGQTR-UWVGGRQHSA-N 311.386 -0.148 30 20 DBED CCCS(=O)(=O)CC(=O)NC[C@H](C)N(C)C(=O)[C@@H](C)C#N 1395087150 GAVMRWIKQHPZRM-QWRGUYRKSA-N 317.411 -0.066 30 20 DBED CC[C@@H](OC)C(=O)NC[C@H](O)CNC(=O)c1c[nH]c(C#N)c1 1410082354 JGXBYJFJOUXYMW-VXGBXAGGSA-N 308.338 -0.482 30 20 DBED CCN(C(=O)Cn1cncc(C#N)c1=O)[C@@H]1CCS(=O)(=O)C1 1412926387 FVPAMCUOPQZDMW-LLVKDONJSA-N 324.362 -0.849 30 20 DBED COCCn1ccc(C(=O)NCCN(C)C(=O)[C@@H](C)C#N)n1 1415572356 PQFODXSJAMGXHD-NSHDSACASA-N 307.354 -0.123 30 20 DBED CC(=O)N[C@@H](CC(=O)N1CCc2c(C#N)cccc21)C(N)=O 1418116170 WCOYVNHWYQQMEB-LBPRGKRZSA-N 300.318 -0.173 30 20 DBED C[C@H](O)[C@@H](NC(=O)C1CCCC1)C(=O)N1CC[C@@](O)(CC#N)C1 1418179921 YAFXMJPGCLUOLD-GHJWDPDVSA-N 323.393 -0.081 30 20 DBED Cn1cc(S(=O)(=O)N2CCC(C)(C#N)CC2)c(O)nc1=O 1423841639 GIIYWEBKHRULIS-UHFFFAOYSA-N 312.351 -0.200 30 20 DBED Cn1c(=O)[nH]c(N[C@H](CO)Cc2ccc(O)cc2)c(C#N)c1=O 1434442034 LGXNJKIRVUZGCF-JTQLQIEISA-N 316.317 -0.334 30 20 DBED COc1ncnc(OC)c1C(=O)NC[C@H](C)NC(=O)[C@H](C)C#N 1452967421 JIOXEKVZUMCASA-BDAKNGLRSA-N 321.337 -0.112 30 20 DBED CCOc1cc(C(=O)N(C)C[C@@H](O)CNC(=O)[C@@H](C)C#N)[nH]n1 1488374043 YYWNDPJPGDMRQH-UWVGGRQHSA-N 323.353 -0.483 30 20 DBED C#CCNC(=O)CN1CCC[C@@H](NC(=O)C2(COC)CC2)C1 1494280994 WRIBCFREALSLSJ-CYBMUJFWSA-N 307.394 -0.257 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCNC(=O)CCS(=O)(=O)N(C)C 1496111923 SOVKJEPYLBGUAJ-JTQLQIEISA-N 318.399 -0.998 30 20 DBED C=CCn1cc(C(=O)N2CCC[C@@H]2CN[C@H](C)C(=O)NC)nn1 1499930946 FJFSTILORVVPMC-VXGBXAGGSA-N 320.397 -0.207 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@](C)(NC(=O)CN2CCOCC2)C1 1506446317 ZCMNIHPSEWZVGX-DOMZBBRYSA-N 308.382 -0.415 30 20 DBED CC#CCN(C)C(=O)[C@@H]1[C@H](O)C(=O)N(C)[C@H]1c1cnn(C)c1 1521638274 AYECANDQDWTPCL-AVGNSLFASA-N 304.350 -0.608 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1573561892 OHAKPGXVXULQLI-ZETCQYMHSA-N 314.309 -0.705 30 20 DBED CN(CCC#N)S(=O)(=O)N[C@@H](C[C@@H]1CCCO1)C(=O)O 1573869453 AKPYEBIGEYIHTF-UWVGGRQHSA-N 305.356 -0.311 30 20 DBED N#C[C@@H]1CN(C(=O)C2=NO[C@]3(CCNC3)C2)CCN1C1CC1 1580041749 GHRVVHJWCMSREO-IUODEOHRSA-N 303.366 -0.306 30 20 DBED C#CCN1CCN(C(=O)CN2C[C@@H](C(=O)O)CC[C@H]2C)CC1 1588430805 OWOXVSUTUXSBNE-KGLIPLIRSA-N 307.394 -0.051 30 20 DBED C#CCCCS(=O)(=O)N1CC[C@H](n2cc(C(=O)O)nn2)C1 1588446935 OMTUNQDMQYRQOS-JTQLQIEISA-N 312.351 -0.034 30 20 DBED C=CC[C@H](CO)CNS(=O)(=O)c1cccnc1-c1nn[nH]n1 1588545411 GUCSKTKGXMFWRH-VIFPVBQESA-N 324.366 -0.275 30 20 DBED CC(C)C#CC(=O)NCCN(C)c1cnc(-c2nn[nH]n2)cn1 1589389817 OIPAWUNJHMOTHN-UHFFFAOYSA-N 314.353 -0.132 30 20 DBED CC[C@H](C)[C@@H](NC(=O)Cn1c(=O)c(C#N)cn(C)c1=O)C(=O)O 1594908810 KOBAACGGHKAUMO-GZMMTYOYSA-N 322.321 -0.966 30 20 DBED CCOC[C@@H](C(=O)O)N(C)S(=O)(=O)N(C)C[C@H](C)C#N 1596885022 WHCSOAWCEISOBV-ZJUUUORDSA-N 307.372 -0.256 30 20 DBED O=C(O)CCCONC(=O)CCN/C(O)=C1/N=CC=CC1=O 1601994722 FRCXLKMVDULSSQ-SEYXRHQNSA-N 311.294 -0.185 30 20 DBED C#CCN(CC(=O)O)c1nnc(CN2CCC(O)CC2)n1CC 1602700662 CZDQLVJPCHNGTK-UHFFFAOYSA-N 321.381 -0.221 30 20 DBED N#Cc1ccc(Cn2c(=O)c(C#N)cn(CC(=O)O)c2=O)cc1 1605611269 OQHIJSCYVUANRW-UHFFFAOYSA-N 310.269 -0.114 30 20 DBED O=C(O)Cn1cccc1C=NN1C(=O)[C@@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C1=O 1608799619 YFWMXNPBOFQPSJ-WFFHOREQSA-N 315.285 -0.155 30 20 DBED C[C@@H](C(=O)NCC(=O)O)N(C)CCCc1[nH]nc(N)c1C#N 1609635515 ZLPUGRWUQDRERL-QMMMGPOBSA-N 308.342 -0.683 30 20 DBED CN(CCC#N)S(=O)(=O)N1CCC[C@H](S(C)(=O)=O)CC1 1645759106 HOJQTRMEKNQQMO-NSHDSACASA-N 323.440 -0.024 30 20 DBED CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)NCc1ccc(C#N)cn1 1649887850 TZWSJLMAGFKMNF-NWDGAFQWSA-N 324.362 -0.436 30 20 DBED CNC(=O)NC(=O)CNC[C@H]1CCCCN1C(=O)C#CC1CC1 1690468875 VYKYABRIXCOFIW-CYBMUJFWSA-N 320.393 -0.174 30 20 DBED C#CCNC(=O)CN(CC)CCCNC(=O)c1cnc(O)n1C 1752204872 SDSBOCDKKNFRLX-UHFFFAOYSA-N 321.381 -0.683 30 20 DBED C#CCCCC(=O)NCCN1CCN(CC(=O)NCC)CC1 1752364737 CFPINYFVXZROSZ-UHFFFAOYSA-N 308.426 -0.340 30 20 DBED N#CCNC[C@@H]1CCCN(C(=O)CCC(=O)N2CCOCC2)C1 1752813072 WQFPLQNCFHNLLA-AWEZNQCLSA-N 322.409 -0.023 30 20 DBED Cn1nccc1C(=O)NC[C@H]1CCCN1CC(=O)NCC#N 1753099094 QIBVIMSEGJXLDB-LLVKDONJSA-N 304.354 -0.746 30 20 DBED C=CCNC(=O)[C@H](C)NCCN(C)C(=O)[C@H](C)S(C)(=O)=O 1753203893 CQOCWWUQAWQALO-QWRGUYRKSA-N 319.427 -0.842 30 20 DBED C#CCOCCC(=O)N1CCC[C@H](CCNCC(=O)NC)C1 1753548663 NLVDQJPFXUNWPC-CQSZACIVSA-N 309.410 -0.009 30 20 DBED N#CCNC(=O)CN1CCO[C@H](CNC(=O)[C@@H]2[C@H]3CCC[C@H]32)C1 1753655037 ACURMMBOXKJPJJ-CXTNEJHOSA-N 320.393 -0.511 30 20 DBED C=CCN1CC[C@H](NC[C@H](O)CNC(=O)c2ncoc2C)C1=O 1753907021 INNZPZDPKDTHNE-RYUDHWBXSA-N 322.365 -0.550 30 20 DBED CCN(CCNCC#N)C(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 1754045619 VDVGRXDKPIYZDJ-LLVKDONJSA-N 304.354 -0.276 30 20 DBED C#CCNC(=O)[C@@H](C)NC/C=C/CNC(=O)c1ccnnc1 1754174870 CVAJWOGUNYXVCY-ZYOFXKKJSA-N 301.350 -0.510 30 20 DBED N#CCNC(=O)CN1C[C@H]2C[C@H]1[C@H]2NC(=O)c1cccc(O)n1 1754422126 WPVAWWPEIRFJSP-PUYPPJJSSA-N 315.333 -0.771 30 20 DBED N#CCNC(=O)CNC1(CNC(=O)c2ccc(F)nc2)CC1 1754511328 XNLTZTJASOZVOH-UHFFFAOYSA-N 305.313 -0.288 30 20 DBED C#CCNC(=O)[C@H](C)N1CC(N(C)C(=O)CCCN(C)C)C1 1754582508 UBMREYWUUBTUMJ-ZDUSSCGKSA-N 308.426 -0.391 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC(N(C)C(=O)C[C@@H]2CCN(C)C2)C1 1754584713 MBACOFQNXAXLHC-KGLIPLIRSA-N 320.437 -0.391 30 20 DBED CC(C)NC(=O)CN(C)CC(=O)N1CC[C@H](NCC#N)C[C@@H]1C 1754595672 AUGBPLYSQKOARS-KBPBESRZSA-N 323.441 -0.065 30 20 DBED C=CCNC(=O)CN1CC[C@](O)(CNC(=O)[C@H](CC)OC)C1 1754745726 GRNXJPFHMUZVRQ-WFASDCNBSA-N 313.398 -0.733 30 20 DBED Cc1cnc2c(cnn2CC(=O)NCC2(O)CN(CC#N)C2)c1 1754770599 REFHVGNPLPAMHY-UHFFFAOYSA-N 314.349 -0.574 30 20 DBED C#CCNC(=O)CN1CC(O)(CNC(=O)C/C=C(\C)C=C)C1 1754772859 VITNSVLUWAMKQV-AWNIVKPZSA-N 305.378 -0.579 30 20 DBED CC#CCNC[C@H]1CN(C(=O)CN2C(=O)CCC2=O)C[C@@H]1C 1754826936 JLBOGBQOWDTNDJ-STQMWFEESA-N 305.378 -0.157 30 20 DBED C#CCNC(=O)[C@H](C)N1CC2(CN(C(=O)CCOC)CCO2)C1 1755046789 JFOMYXMDJYJNPV-ZDUSSCGKSA-N 323.393 -0.926 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C[C@H](O)CNCc1nnc(C)o1 1755779243 GOJRXXBNEXDNMC-CMPLNLGQSA-N 310.354 -0.675 30 20 DBED C#CCCCC(=O)NC[C@@H](CO)NC(=O)c1cc(C#N)c[nH]1 1756515935 RPXDQOOLFDMVNX-LBPRGKRZSA-N 302.334 -0.103 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(C(=O)CCN(C)C)C[C@H]1C 1757071545 ZWNXQVGDLZWFHZ-MGPQQGTHSA-N 309.410 -0.061 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@H](NC(=O)CNC(=O)CC)[C@H]1C 1757504718 HGHKJZCFUFDTLQ-UPJWGTAASA-N 323.393 -0.344 30 20 DBED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc[nH]3)C[C@@H]21 1790791125 WLHXIHIMCVMTHB-GVXVVHGQSA-N 302.334 -0.364 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cncs1)C2 1800450590 GVUHMOCPYVYGQB-DDFAGTSDSA-N 305.359 -0.021 30 20 DBED N#CC1(C(=O)N2CCCC23CN(C(=O)[C@H]2CNC(=O)C2)C3)CC1 1842809631 IDIYZKBBCWZFLA-LLVKDONJSA-N 316.361 -0.370 30 20 DBED C[C@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)N(C)C 153022224 QIIXGJPWNOHMHZ-JTQLQIEISA-N 310.383 -0.335 30 20 DBED C#CCOc1ccc(C(=O)N2CCN(C(=O)CO)CC2)cc1 156759129 FOCZMVDYCZDRBJ-UHFFFAOYSA-N 302.330 -0.025 30 20 DBED C#CC[C@@H](C)OC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 176215569 BYDRPAHVONGBSQ-SECBINFHSA-N 304.306 -0.611 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)N2CCOCC2)CC1 181648033 VODNYAKUTJALSX-UHFFFAOYSA-N 308.382 -0.804 30 20 DBED C[C@@H](O)CN1CCN(S(=O)(=O)c2ccc(C#N)nc2)CC1 188283063 PPPBGWCBVPJFOO-LLVKDONJSA-N 310.379 -0.360 30 20 DBED C/N=C(/NC[C@@H]1CN2CCN1CC2)N1CC[C@@]2(CCOC2)C1 261999730 UBSGBTPUKIIKPS-GDBMZVCRSA-N 307.442 -0.326 30 20 DBED C=CCOC[C@H](NC(=O)CS(=O)(=O)N(CC)CC)C(=O)O 263072876 RNRGPOOSSZWPCO-JTQLQIEISA-N 322.383 -0.570 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cn(C)nc2CC)C1=O 271476847 DWVORFFCTCHUNK-UHFFFAOYSA-N 319.321 -0.102 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H]2CCSC2)C1=O 279251732 RYYVGAZZJRNLMO-SECBINFHSA-N 311.363 -0.168 30 20 DBED C=CCN(C)C(=O)C(=O)NCCCN(CC)S(C)(=O)=O 285608668 SXSUOPYZUNNWCW-UHFFFAOYSA-N 305.400 -0.581 30 20 DBED C[C@@H](CN1CCN(C)CC1)NS(=O)(=O)c1cncc(C#N)c1 289985537 XWURNJVZJDOKRC-LBPRGKRZSA-N 323.422 -0.133 30 20 DBED CCOC(=O)N1CCC(N/C(N)=N/CCC(=O)N(C)C)CC1 303865880 BVMIILRQYLDCPF-UHFFFAOYSA-N 313.402 -0.010 30 20 DBED C[C@@H]1OCC[C@]12CN(/C(O)=N/[C@H]1CCS(=O)(=O)C1)CCO2 329954033 ODCFGGHWNSAQLX-GVXVVHGQSA-N 318.395 -0.033 30 20 DBED C[C@@]1(NC(=O)CNc2ccc(C#N)cn2)CCS(=O)(=O)C1 330538787 GGNRWJGCAHCTSC-CYBMUJFWSA-N 308.363 0.059 30 20 DBED CN1CCN(C(=O)CC/N=C(/O)NCC(F)(F)CO)CC1 330976701 HSFGBXAPGPJRGW-UHFFFAOYSA-N 308.329 -0.718 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCC(=O)N1CCN(C(C)=O)CC1 330990118 YCOJRCSADWVWTH-OAHLLOKOSA-N 311.382 -0.490 30 20 DBED CNC(=O)N[C@@H]1CCN(S(=O)(=O)N(C)C[C@H](C)C#N)C1 336946067 NZNLDTOAWJCOPV-NXEZZACHSA-N 303.388 -0.674 30 20 DBED N#CCNC(=O)CNC(=O)NC[C@H](CO)Cc1ccccc1 358319080 XZBNFQGVCUWVTO-CYBMUJFWSA-N 304.350 -0.223 30 20 DBED CCC(=O)N1CC[C@@H](NS(=O)(=O)N(C)C[C@H](C)C#N)C1 407952582 IMRWDMQZRLIHKK-GHMZBOCLSA-N 302.400 -0.077 30 20 DBED CCS(=O)(=O)N1CCN(C(=O)C2(C#N)CCOCC2)CC1 408113137 QBQBWVGSUNBWNF-UHFFFAOYSA-N 315.395 -0.199 30 20 DBED CN1C(=O)C[C@H](NS(=O)(=O)c2ccc(C#N)cc2F)C1=O 561553178 KBMAXOYAUSJDAO-VIFPVBQESA-N 311.294 -0.267 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCC2=CCCOC2)C1=O 583164722 IAYRZEYUBZIYPY-UHFFFAOYSA-N 307.306 -0.574 30 20 DBED COc1cc(NC(=O)C(=O)N2CC[C@](O)(CC#N)C2)ccn1 592300182 YNOIQIMXHFAYNM-CQSZACIVSA-N 304.306 -0.094 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N(CCO)CCC(=O)O 593270024 UNJKKCIBFPLNNA-SNVBAGLBSA-N 307.372 -0.518 30 20 DBED N#Cc1cn(CC(=O)N2CC(C(F)(F)F)C2)c(=O)nc1O 602107401 QFBCYMRKFJHNQF-UHFFFAOYSA-N 302.212 -0.159 30 20 DBED C=CCCNC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 617612628 GMHARAMYOIQSHS-UHFFFAOYSA-N 305.338 -0.484 30 20 DBED CC#CC[C@H](CO)NC(=O)C(=O)Nc1ccc(C(N)=O)cc1F 646951814 OFWIZKXREZRPGO-SNVBAGLBSA-N 321.308 -0.246 30 20 DBED C#C[C@H](NC(=O)C(=O)Nc1cc(C)cn(C)c1=O)[C@@H]1CCCO1 773793915 GWCPWAIVENSMBY-AAEUAGOBSA-N 317.345 -0.071 30 20 DBED C#CCN1CCC(C(=O)NC2CC(NS(C)(=O)=O)C2)CC1 801460623 VFJBCDDTDLSZLB-UHFFFAOYSA-N 313.423 -0.472 30 20 DBED C[C@@H](C#N)OCCOC(=O)CNS(=O)(=O)c1cnn(C)c1 801824567 HBBSAVLKXUFDAQ-VIFPVBQESA-N 316.339 -0.830 30 20 DBED COCCNC(=O)[C@H](C#N)C(=O)c1cncc(-n2ccnn2)c1 802040714 QOFVFFCFMOKPGK-GFCCVEGCSA-N 314.305 -0.253 30 20 DBED N#CCN1CCC(NC(=O)C(=O)NC[C@@H]2CCC=CO2)CC1 805061543 KZOOAQRETKJNJJ-ZDUSSCGKSA-N 306.366 -0.101 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CC[C@]2(CCOC2)C1)[C@H]1CCCO1 809313220 RXVGAYFDLXKKSN-ZENOOKHLSA-N 306.362 -0.078 30 20 DBED N#Cc1cc(S(N)(=O)=O)ccc1N1CC[C@@H](CO)[C@H](O)C1 811838499 LFUUOOVCYCCFKH-TVQRCGJNSA-N 311.363 -0.615 30 20 DBED C#CC[C@H](CO)NC(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 816668938 CBJFUWXYKCFINF-ZCURGHERSA-N 302.330 -0.706 30 20 DBED C#CC[C@@H](CO)NC(=O)c1ccc(S(=O)(=O)N(C)C)nc1 820059378 CKPIYHDJBWIPNU-NSHDSACASA-N 311.363 -0.554 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)Cc2ccc(O)nc2)CC1 820074684 MOELEJZKEXFPMF-UHFFFAOYSA-N 318.377 -0.224 30 20 DBED CCN(CC)S(=O)(=O)CC(=O)N[C@H]1CCCN(O)C1=O 820476712 PHKMXZRDCVWXDE-VIFPVBQESA-N 307.372 -0.846 30 20 DBED COc1ccc(CNC(=O)C(=O)N2CCNCC2)cc1C#N 842179046 ACQKBFQLKJTGJQ-UHFFFAOYSA-N 302.334 -0.385 30 20 DBED C#CCn1cc(CNS(=O)(=O)c2cnn(CCOC)c2)cn1 882348047 UYTIGLDTIRYCGJ-UHFFFAOYSA-N 323.378 -0.162 30 20 DBED C=CCSCCNC(=O)C(=O)NCCN1CCNC1=O 897559961 FYQQXFMBNNUMLA-UHFFFAOYSA-N 300.384 -0.837 30 20 DBED CN(C)CC#CCNC(=O)CN(C)S(=O)(=O)c1cccnc1 913517230 YIHKHUIEZDVJRF-UHFFFAOYSA-N 324.406 -0.617 30 20 DBED CN(C(=O)[C@H]1CCC(=O)N1)[C@@H]1CCN(C(=O)C#CC2CC2)C1 937347324 KZAYQEYJWFKINF-CHWSQXEVSA-N 303.362 -0.262 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](NC(=O)C2CCN(C(N)=O)CC2)C1 937931085 VSMMKNKYHISBPE-PWSUYJOCSA-N 321.381 -0.346 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cn2nccn2)C1 938861541 RFWXKEIBMVXINZ-XQQFMLRXSA-N 319.365 -0.414 30 20 DBED Cc1ccc(=O)n(CC(=O)N[C@@H]2CCN(CC#N)C[C@@H]2C)n1 944241364 ITYSIVSMBNTKQS-WCQYABFASA-N 303.366 -0.098 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)CN2C(=O)CNC2=O)[C@H](C)C1 944790930 SCPPEIYQNRUOFC-NEPJUHHUSA-N 308.382 -0.059 30 20 DBED C#Cc1ccc(C(=O)N2CCC(NC(=O)C(N)=O)CC2)cn1 947632106 YYEXEMRYTVIFIQ-UHFFFAOYSA-N 300.318 -0.731 30 20 DBED CC#CCN1CCC2(CC1)CN(C(=O)[C@@H]1CNC(=O)N1)CCO2 949174245 MCXHFALFTBFYHW-ZDUSSCGKSA-N 320.393 -0.616 30 20 DBED C[C@@H](C#N)C(=O)N1CC(N(C)C(=O)c2cc(C(N)=O)cn2C)C1 954882481 QBLGIQFBKLZXTH-VIFPVBQESA-N 317.349 -0.434 30 20 DBED N#CCN1C[C@H](CNC(=O)c2nnc3ccccc3n2)[C@@H](O)C1 958264537 XEAUDWQSVKKLGJ-GWCFXTLKSA-N 312.333 -0.429 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2cnc(O)cc2OC)C1 958409786 WRRZTUZNEYNAEA-PWSUYJOCSA-N 305.334 -0.549 30 20 DBED CC#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cnc(O)cc2OC)C1 958412493 FBDYYWLWRCXIEV-WCQYABFASA-N 319.361 -0.158 30 20 DBED CN(C(=O)c1ccon1)[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 958665405 IABMTBRDICENBF-STQMWFEESA-N 303.318 -0.268 30 20 DBED COCc1nc(C(=O)NC[C@H]2CN(CC#N)C[C@H]2O)cs1 958744851 WIMSGYGEGIVWNF-GXSJLCMTSA-N 310.379 -0.164 30 20 DBED CN(C(=O)c1csnn1)[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 958900131 CRICSPBAERNSGS-RYUDHWBXSA-N 320.374 -0.405 30 20 DBED Cc1ncc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)s1 961818756 RPXTWNSXHYGQMC-SFGNSQDASA-N 308.363 -0.087 30 20 DBED C=CCn1cc(C(=O)NC2[C@H]3CN(CC(=O)N(C)C)C[C@H]23)nn1 961995636 UXYDKDBSOBFWHR-QWRGUYRKSA-N 318.381 -0.788 30 20 DBED C=C(C)CCN1C[C@H]2[C@H](NC(=O)CN3CCC(=O)NC3=O)[C@H]2C1 962228606 NIZUFFHCOVEABA-JYAVWHMHSA-N 320.393 -0.059 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@]1(C)CCNC1=O 970002709 ZCSAHOOTSBYSDI-YMEQNVIZSA-N 318.377 -0.126 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)CN3CCOCC3)[C@@H]2C1 971853578 VOVZMAQZEKRZBG-BFHYXJOUSA-N 320.393 -0.462 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(CC(N)=O)CC2(C)C)nc1 977515695 REUBUKLJQWWMLH-CYBMUJFWSA-N 300.362 -0.012 30 20 DBED N#CCN1C[C@@H]2CC[C@@H](NC(=O)CN3CCOCC3=O)C[C@H]2C1 979796639 NUKBOTYNLGVXAH-MELADBBJSA-N 320.393 -0.415 30 20 DBED N#CCN1CCCN(C(=O)[C@H]2CCc3nnnn3CC2)CC1 982002283 BLNQVHOUCRHCGR-LBPRGKRZSA-N 303.370 -0.317 30 20 DBED C#CCCN1CCC[C@H](NC(=O)Cn2nc(C)n(C)c2=O)[C@H]1C 994326838 JLCQJWYYMSPHMU-OCCSQVGLSA-N 319.409 -0.117 30 20 DBED C[C@@H](C#N)C(=O)N1CC(CNC(=O)c2cn3c(n2)COCC3)C1 1002900807 JXQCUHCGEGRHRN-JTQLQIEISA-N 317.349 -0.239 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C(N)=O)cn1 1004741296 DVRYJVKIGMHFFE-UPJWGTAASA-N 312.329 -0.590 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2CCCN([C@H]3CCNC3=O)C2)[nH]1 1007143540 NGAPWQNYVZADND-AAEUAGOBSA-N 301.350 -0.031 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCCN([C@H]3CCNC3=O)C2)nn1 1008791966 CKOYJDAJISMCGV-AAEUAGOBSA-N 318.381 -0.453 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2C(NC(=O)CC3OCCCO3)[C@H]2C1 1013003671 HFECLIMIGXFBHM-VWYCJHECSA-N 307.350 -0.128 30 20 DBED CN1CC[C@H](C(=O)NC2[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]23)C1=O 1013601428 JCMIVPPUNMZUCL-JHJVBQTASA-N 315.373 -0.549 30 20 DBED CC#CCN1CCC2(CC1)C[C@@H]2NC(=O)[C@@H]1CC(=O)NC(=O)N1 1016858656 HPSCYNNLOGDHPX-RYUDHWBXSA-N 318.377 -0.422 30 20 DBED CC#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CNC1=O 1018245198 BOEORFPMMQDQRR-TXEJJXNPSA-N 304.350 -0.763 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(C1)CN(C(=O)[C@H]1C[C@H]1C(N)=O)C2 1019445660 DQVBLXMBTPTBKQ-AXFHLTTASA-N 304.350 -0.672 30 20 DBED O=C(N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O)c1ccncc1F 1023265956 NPUWONFSRPOFBH-ZIAGYGMSSA-N 317.320 -0.064 30 20 DBED C#CCN1CCC[C@@H](CNC(=O)c2nc(O)nc(O)c2OC)C1 1023699827 IVMHEZDSAOVJBS-JTQLQIEISA-N 320.349 -0.029 30 20 DBED C#CCNC1CCC(NC(=O)Cn2ccc(O)nc2=O)CC1 1026523828 UMYOMUKKHSDARS-UHFFFAOYSA-N 304.350 -0.401 30 20 DBED C=CCN1CC[C@@H](NC[C@@H]2CCN(C(=O)CC(N)=O)C2)C1=O 1026742626 CJYOSSKFFGDDIV-NWDGAFQWSA-N 308.382 -0.913 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2CC(=O)N1CCOCC1 1029245096 PHUXAVXSVKPFOJ-MCIONIFRSA-N 320.393 -0.320 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCC1CN([C@@H]2CCN(C)C2=O)C1 1031742375 CPYGSVLTULAFAE-LSDHHAIUSA-N 318.421 -0.637 30 20 DBED O=C(C#CC1CC1)N1C[C@@H]2C[C@H]1CN2C[C@H](O)Cn1cccn1 1032393792 NVMMWJXXENMNAK-JYJNAYRXSA-N 314.389 -0.058 30 20 DBED C=CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1Cc2cncn2C(=O)N1 1032536588 RVPPOBIRWBSRSQ-AVGNSLFASA-N 301.350 -0.163 30 20 DBED CC(=O)Nc1cccnc1C(=O)NC[C@@H]1CN(CC#N)CCO1 1035399465 RQWJGIDWYBENRP-GFCCVEGCSA-N 317.349 -0.006 30 20 DBED C#CCN1CCO[C@H](CNC(=O)c2nc3ncccn3n2)C1 1035549269 KBLYXUXEPSDXDT-LLVKDONJSA-N 300.322 -0.812 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)c2cccc(C(=O)NC)n2)C1 1035592815 JLCPYQYDBVBTBI-LBPRGKRZSA-N 316.361 -0.495 30 20 DBED N#CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)c1ccc(S(N)(=O)=O)o1 1037490381 PAGJBZFCLDPJBP-FYBVGQRMSA-N 310.335 -0.747 30 20 DBED C=CCCn1cc(C(=O)NC[C@@H]2CCN2[C@H]2CCNC2=O)nn1 1038789601 JQWAXDQJWPMPLK-AAEUAGOBSA-N 318.381 -0.453 30 20 DBED N#CCN1[C@H]2CCC[C@H]1CN(C(=O)Cn1c(O)nnc1O)C2 1039984380 XZLUKPBIYUEOGT-UWVGGRQHSA-N 306.326 -0.722 30 20 DBED COCC(=O)N1CC[C@H]2OCCN(c3cnc(C#N)cn3)[C@@H]2C1 1039990093 NXFRJYNPCMGNPS-CHWSQXEVSA-N 317.349 -0.199 30 20 DBED Cn1cnc(C(=O)N2CC[C@H]3CN(c4ccnc(C#N)n4)C[C@H]32)n1 1040603150 JIUJMCFTHKLZFY-WDEREUQCSA-N 324.348 -0.172 30 20 DBED Cc1cc(C(=O)N2CC[C@](O)(CNC(=O)[C@H](C)C#N)C2)on1 1040762341 HICOPUQYULIJFM-OTYXRUKQSA-N 306.322 -0.164 30 20 DBED C=CCOCC(=O)N1CC[C@@](O)(CNC(=O)c2nocc2C)C1 1040908096 YQZBEZJXSLHRBX-OAHLLOKOSA-N 323.349 -0.121 30 20 DBED Cc1cc[nH]c1C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1O 1041005275 CRTMEVZDVLCSJX-VXGBXAGGSA-N 312.333 -0.036 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCCCO2)C1 1042568377 LKSILBBMXPSKOL-ZDUSSCGKSA-N 324.377 -0.715 30 20 DBED CO[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1NC(=O)c1cocn1 1042776363 MEXMSXALRMYYNA-MWLCHTKSSA-N 314.305 -0.030 30 20 DBED O=C(C#CC1CC1)NCC1(O)CN(C(=O)c2ccsn2)C1 1042963943 ZHVGAVGVWFRZNV-UHFFFAOYSA-N 305.359 -0.140 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)c2cc(C)co2)C1 1043039136 CYHSGMWIRMNXLZ-UHFFFAOYSA-N 320.345 -0.069 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)C[C@H]2CCC(=O)N2)C1 1043847751 UVGADUKITXUWMK-GFCCVEGCSA-N 321.377 -0.852 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)Cc2[nH]cnc2C)C1 1044319717 OJUHUTVEWYWMIL-UHFFFAOYSA-N 306.366 -0.084 30 20 DBED C#Cc1ccc(C(=O)NCC2(O)CN(C(=O)COC)C2)cc1 1044360395 YZSDSXXATGLLCJ-UHFFFAOYSA-N 302.330 -0.383 30 20 DBED Cc1nocc1C(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1044473737 SCXNMSKPKPZFQJ-NEPJUHHUSA-N 314.305 -0.376 30 20 DBED C#CCN1CC[C@H](N2CCN(C(=O)C3(C(N)=O)CC3)CC2)C1 1046058770 SJSNDCOIENUZSF-ZDUSSCGKSA-N 304.394 -0.896 30 20 DBED N#Cc1ccc(N[C@H]2C[C@@H](CNC(=O)[C@H]3CNC(=O)N3)C2)nc1 1046562361 OBRSJPWJVIZTFT-GRYCIOLGSA-N 314.349 -0.059 30 20 DBED C=C[C@@](C)(CC)C(=O)N1CC(O)(CNC(=O)Cn2cncn2)C1 1046871190 OUDSZJQTGCXTFI-AWEZNQCLSA-N 321.381 -0.430 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2cnc(C)nc2OC)C1 1047401982 HIDKCJVJLVMQBB-KBPBESRZSA-N 318.377 -0.066 30 20 DBED CC#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CC(=O)NC)C1 1048733914 UZRWDSUSJFQUFV-STQMWFEESA-N 323.393 -0.654 30 20 DBED C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1cnc(C(N)=O)n1 1049481733 JGXHBGRIBDCMLZ-VXGBXAGGSA-N 316.365 -0.925 30 20 DBED C=CCN1C[C@@H]2CCCN(C(=O)Cn3ncn(C)c3=O)[C@@H]2C1 1050080737 BKQAUDZLTNFMNO-QWHCGFSZSA-N 305.382 -0.309 30 20 DBED N#CCN1CCOC[C@H]1CNC(=O)[C@@H]1CCCc2nn[nH]c21 1051087132 QDKGUXVVODCQQQ-GHMZBOCLSA-N 304.354 -0.435 30 20 DBED CC#CCN1CCOC[C@H]1CNC(=O)[C@H]1CN(C(C)=O)CCO1 1051230984 MXJBCTLBEFDYPO-HUUCEWRRSA-N 323.393 -0.926 30 20 DBED CC#CCN1CCOC[C@@H]1CNC(=O)c1cccc(C(N)=O)n1 1051264952 ZGOOBZAGCDYANW-LBPRGKRZSA-N 316.361 -0.366 30 20 DBED N#Cc1cnc(NC2CC(CNC(=O)[C@@H]3CCNC3=O)C2)cn1 1052047307 VJZWMBJWNXFVOF-RTYFJBAXSA-N 314.349 -0.209 30 20 DBED C[C@H]1CN(C(=O)CC(N)=O)C[C@@H]1CNC(=O)CSCC#N 1052259965 UKLYBHWLMOCGDC-UWVGGRQHSA-N 312.395 -0.671 30 20 DBED CC(=O)N1C[C@@H](N=c2cc[nH]c(C#N)n2)[C@H](c2cn(C)cn2)C1 1052668545 ULJFJYHKIPRDMZ-WCQYABFASA-N 311.349 -0.070 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1C 1053477631 DFBKRMREGSVJMY-CHWSQXEVSA-N 321.381 -0.309 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)c3cccn4nnnc34)CO2)C1 1053814025 GAVHBWPZZQVFLJ-SNVBAGLBSA-N 313.321 -0.779 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)[C@H]3CCCCC(=O)N3)CO2)C1 1053922011 TUGIMHDJECGZDM-CHWSQXEVSA-N 305.378 -0.362 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)C3CC(=O)NC(=O)C3)CO2)C1 1053955941 VVNPUUMTLSUCRI-LBPRGKRZSA-N 319.361 -0.978 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2COC3(C2)CN(CCO)C3)cn1 1053985756 YQWGJQGXRLGNDY-AWEZNQCLSA-N 301.346 -0.372 30 20 DBED C=C(C)CCC(=O)NC1CCN(CCNC(=O)CC(N)=O)CC1 1055546796 IYJYNDGJLIMLQQ-UHFFFAOYSA-N 324.425 -0.085 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@](CO)(NC(=O)CC(C)(C)O)C1 1055915232 VHHOZXQEDUQYJA-XHDPSFHLSA-N 311.382 -0.223 30 20 DBED C=CCCC(=O)N1CCC[C@](CO)(NC(=O)[C@H]2CNC(=O)N2)C1 1056082690 MXFYVSOKMMCDAY-ABAIWWIYSA-N 324.381 -0.896 30 20 DBED N#Cc1cncc(N2C[C@@H]3C(NC(=O)c4ccc(O)nn4)[C@H]3C2)n1 1056113579 HLTKHLQIGUDRAL-UWVGGRQHSA-N 323.316 -0.292 30 20 DBED N#Cc1ccc(N2C[C@H]3C(NC(=O)[C@@H]4COCCO4)[C@@H]3C2)nn1 1056134340 HEOOTACUKSUFHX-UTUOFQBUSA-N 315.333 -0.686 30 20 DBED CC(=O)NCC(=O)N1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C)C#N 1056536736 APAMSFFACZYYQQ-CYZMBNFOSA-N 306.366 -0.126 30 20 DBED CN(c1ccnc(C#N)n1)[C@@H]1CCN(C(=O)CS(C)(=O)=O)C1 1056855946 UXLXJFRBRIGLDQ-SNVBAGLBSA-N 323.378 -0.570 30 20 DBED C=C[C@](C)(O)CC(=O)NCCN(CCO)C(=O)C[C@@H](C)OC 1057163497 SOPMIJLKCWWMTL-DOMZBBRYSA-N 316.398 -0.324 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)C[C@@H]1COC(=O)C1 1057346649 DTDKRZATHLOKBI-LBPRGKRZSA-N 312.366 -0.157 30 20 DBED C=C[C@H](C)[C@H](C)C(=O)NCCN(CCO)C(=O)CC(=O)NC 1057417006 MKQKFXOIIWUTML-RYUDHWBXSA-N 313.398 -0.482 30 20 DBED C=C[C@@](C)(O)CC(=O)N(CCO)CCNC(=O)c1cc[nH]n1 1057449544 DNSNWBHBDFQYPU-CQSZACIVSA-N 310.354 -0.713 30 20 DBED Cc1ccnn1CC(=O)N(CCO)CCNC(=O)[C@@H](C)C#N 1057612864 YFOLHLRRDWYNBL-NSHDSACASA-N 307.354 -0.712 30 20 DBED CCn1ccc(CC(=O)N(CCO)CCNC(=O)[C@H](C)C#N)n1 1057746302 FTWSWMULMHVNGW-GFCCVEGCSA-N 321.381 -0.458 30 20 DBED N#Cc1ccc(N2CCC(NC(=O)[C@@H]3CCC(=O)N3)CC2)nn1 1057886316 MJPLQEKMQXWACE-LBPRGKRZSA-N 314.349 -0.288 30 20 DBED C=CCCOCC(=O)N(CCO)CCNC(=O)[C@H](CC)OC 1057919315 VRMFGURPMWSPFC-ZDUSSCGKSA-N 316.398 -0.059 30 20 DBED CN1C[C@H](C(=O)N[C@@H]2CCN(c3nccnc3C#N)C2)NC1=O 1058504204 JLAGRYJJACPLCM-MWLCHTKSSA-N 315.337 -0.933 30 20 DBED C=C1CC(C)(C(=O)N(CCO)CCNC(=O)C2(C(N)=O)CC2)C1 1058771022 OHOZXMOICWHAPY-UHFFFAOYSA-N 323.393 -0.455 30 20 DBED N#Cc1nc(=N[C@H]2CCN(C(=O)[C@@H]3COCCO3)C2)cc[nH]1 1058846360 QTJZDOXBPFOEIK-QWRGUYRKSA-N 303.322 -0.802 30 20 DBED N#Cc1nccnc1N[C@H]1CCN(C(=O)Cn2cnnc2O)C1 1058855095 SYVLKKPLGHITRR-VIFPVBQESA-N 314.309 -0.642 30 20 DBED N#Cc1ccc(N[C@H]2C[C@@H](NC(=O)C[C@H]3CCNC3=O)C2)nn1 1059738857 LMYVCUSSWVRCHL-JLLWLGSASA-N 314.349 -0.066 30 20 DBED COC(=O)NCC(=O)N1CC2(CCN(C(=O)[C@H](C)C#N)CC2)C1 1060928708 IBXJABKADAUUNP-LLVKDONJSA-N 322.365 -0.047 30 20 DBED N#Cc1cncc(N2CCC[C@@H]2CNC(=O)[C@@H]2CCNC2=O)n1 1061423841 VZNMYZCMNYNFEG-VXGBXAGGSA-N 314.349 -0.431 30 20 DBED C#CCCCC(=O)NC[C@H]1COCCN1C(=O)c1cnnn1C 1061539596 AHPXUMNHTBCOPC-LBPRGKRZSA-N 319.365 -0.424 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1COCCN1C(=O)[C@@H]1CCC(=O)N1 1061571681 FMABZVYSZIQHFA-OLZOCXBDSA-N 319.361 -0.978 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H]1COCCN1C(=O)c1cnco1 1061584398 GVVISAZEVIHPIJ-RYUDHWBXSA-N 321.333 -0.330 30 20 DBED C#CCCCC(=O)N1CCOC[C@@H]1CNC(=O)CCCC(N)=O 1061683566 FWDSOMUGOGQVFH-ZDUSSCGKSA-N 323.393 -0.211 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)c1ccncn1 1061847947 OAEGKZKNOAALRF-GHMZBOCLSA-N 303.322 -0.407 30 20 DBED N#Cc1cnc(N2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2C[C@H]2C(N)=O)cn1 1062580485 ZSBBKVNBKPSDSO-YFKTTZPYSA-N 312.333 -0.741 30 20 DBED N#Cc1ccc(N2CCO[C@@H](CNC(=O)c3cnon3)C2)nn1 1063638946 HNSDJRULMIRFOW-JTQLQIEISA-N 315.293 -0.634 30 20 DBED N#Cc1nccc(N2CCO[C@@H](CNC(=O)c3cnco3)C2)n1 1063647193 HYEODCACACPIRI-JTQLQIEISA-N 314.305 -0.029 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@H]1CN(C(=O)c2ncc[nH]2)CCO1 1065121489 YYZRUZCDXLZOQZ-ABAIWWIYSA-N 322.365 -0.306 30 20 DBED CC(C)C#CC(=O)N1CCO[C@@H](CNC(=O)CCN(C)C)C1 1065129113 NZOSKIAYTALVMT-AWEZNQCLSA-N 309.410 -0.059 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H]1CN(C(=O)c2cnco2)CCO1 1065387944 JYDKPTJPVDROMN-VXGBXAGGSA-N 321.333 -0.330 30 20 DBED CN(C(=O)[C@H]1CCOC1)[C@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1065573087 HFZRCSLKRMNKPY-DRZSPHRISA-N 317.349 -0.607 30 20 DBED C[C@@H](Nc1cnc(C#N)cn1)[C@@H]1CCN(C(=O)CC(N)=O)C1 1065681041 SFIWSYDKVBVAKH-NXEZZACHSA-N 302.338 -0.127 30 20 DBED C[C@H]1CN(C(=O)Cn2cncn2)C[C@@H]1Nc1cncc(C#N)n1 1067098562 LVGVKDIJYZLFKC-JQWIXIFHSA-N 312.337 -0.101 30 20 DBED C=CCCC(=O)N1CCOC2(C1)CN(C(=O)Cn1ncnn1)C2 1068346234 LWCVLZMTCUOQQG-UHFFFAOYSA-N 320.353 -0.921 30 20 DBED C=CCCC(=O)N1CC2(C1)CN(C(=O)[C@H](C)NC(N)=O)CCO2 1068386369 MCMKWJDOEXBYOR-NSHDSACASA-N 324.381 -0.551 30 20 DBED C=CCOCC(=O)N[C@H]1COC2(C1)CN(C(=O)c1cc[nH]n1)C2 1068764279 NNBWBYMXTIFURM-LLVKDONJSA-N 320.349 -0.288 30 20 DBED C=CCCC(=O)N1CC2(C[C@H](NC(=O)[C@@H]3CNC(=O)N3)CO2)C1 1068988205 CARWZNVVNHWNSB-QWRGUYRKSA-N 322.365 -0.880 30 20 DBED CC(=O)NCC(=O)NC1(CNC(=O)[C@H](C)C#N)CCOCC1 1069953147 RTMPDICLSKXSFJ-SNVBAGLBSA-N 310.354 -0.936 30 20 DBED C[C@@H](C(N)=O)N1C[C@H]2C[C@H]3CN(C(=O)C#CC4CC4)C[C@@]3(C1)O2 1070797873 CPMYCGTWOZAMJH-HVOFVXBASA-N 317.389 -0.425 30 20 DBED C[C@H](C(N)=O)N1C[C@H]2C[C@@H]3CN(C(=O)C#CC4CC4)C[C@@]3(C1)O2 1070797874 CPMYCGTWOZAMJH-LSCFUAHRSA-N 317.389 -0.425 30 20 DBED CC(=O)N1CC(C(=O)N2C[C@@H](C)O[C@]3(CCN(CC#N)C3)C2)C1 1071160012 VQOAIABTESOMQA-WBMJQRKESA-N 320.393 -0.320 30 20 DBED C#CCN1CC[C@]2(C1)CN(C(=O)c1cnn(C)c1N)C[C@@H](C)O2 1071160068 WUSDHHLGEIBYCH-WBMJQRKESA-N 317.393 -0.059 30 20 DBED COCCN1CCN([C@H]2CCCN(C(=O)[C@H](C)C#N)C2)C(=O)C1 1071258280 CPYMXCPEYZYHSG-KGLIPLIRSA-N 322.409 -0.072 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(C(=O)CCCOC)C[C@@H]1C 1071700974 ZSAQHCOZGDUOPQ-QWHCGFSZSA-N 323.393 -0.484 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(C(=O)COC(C)C)C[C@H]1C 1071750095 OSSZDTAHSAMMFT-CHWSQXEVSA-N 323.393 -0.486 30 20 DBED C#CCOCCC(=O)N[C@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1C 1072014227 NQDKWJLHJDDFQR-NEPJUHHUSA-N 319.365 -0.568 30 20 DBED C=CCC1(C(=O)N[C@@H]2CN(C(=O)C(N)=O)C[C@@H]2C)CCOCC1 1072638551 MDFJFBYNDCCJSS-NWDGAFQWSA-N 323.393 -0.192 30 20 DBED CC1(C)CC(=O)N(CC(=O)N2CC3(CCN(CC#N)C3)C2)C1=O 1072738024 BYHDQQTXHMHDBD-UHFFFAOYSA-N 318.377 -0.171 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)c2ccc3nnnn3c2)C1 1073696279 GDPYOTDKWPVECZ-ZDUSSCGKSA-N 314.349 -0.422 30 20 DBED C=CCN1CC[C@@H](N2C[C@@H](O)[C@H](NC(=O)C3CC=CC3)C2)C1=O 1076825140 IUCBQIAWLRHWPV-RBSFLKMASA-N 319.405 -0.099 30 20 DBED C=CCOCC(=O)N[C@@H](C)CCNC(=O)C[C@H]1CCNC1=O 1076848984 FWUAFPKLTYJRDI-NWDGAFQWSA-N 311.382 -0.274 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3cnc(C)n3C2)C1 1077585312 YTEGRMKOIWLSLT-FVQBIDKESA-N 316.405 -0.061 30 20 DBED C=CCCC(=O)N[C@@H](C)CCNC(=O)CN1CCC(=O)NC1=O 1078415393 ZLSZHERRTWLZPV-NSHDSACASA-N 324.381 -0.095 30 20 DBED C#CCCCC(=O)N1CC(N(CC)C(=O)[C@@H]2CN(C)C(=O)N2)C1 1080216107 KZNGOMOCWYSVGZ-ZDUSSCGKSA-N 320.393 -0.127 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)c2ccn(C)n2)C[C@H]1O 1081338825 WUCLXSVSVYWQHK-WCQYABFASA-N 306.366 -0.065 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)c2ccnnc2)C[C@@H]1O 1081445483 WLDGDBMUXVAKEN-KBPBESRZSA-N 316.361 -0.171 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)Cc2cnc[nH]2)C[C@@H]1O 1081465040 AIEMHTPUWUZLGZ-JSGCOSHPSA-N 318.377 -0.453 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(C(=O)c2cc[nH]c2)C[C@@H]1O 1081475318 ZORBCYLHOHHJKM-KGLIPLIRSA-N 301.346 -0.023 30 20 DBED C=C(C)CCC(=O)NC[C@H]1CN(C(=O)c2cnn[nH]2)C[C@H]1O 1081533909 QAIZAEXWIIQUDQ-CMPLNLGQSA-N 307.354 -0.290 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2cccnn2)C1 1081686902 BPOKBBDNDDMBPJ-TZMCWYRMSA-N 316.361 -0.315 30 20 DBED C=C1CCC(C(=O)N2C[C@H](O)[C@H](CNC(=O)C(N)=O)C2)CC1 1081719467 RSGMLGVTJXTADG-NEPJUHHUSA-N 309.366 -0.846 30 20 DBED COCCn1ccc(C(=O)N[C@@H]2CN(CC#N)C[C@H]2OC)n1 1081930655 VJFUATKIWBRKBA-CHWSQXEVSA-N 307.354 -0.518 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CCCCN1C(=O)Cn1nccn1 1082098597 LUSHZYFIMVZHOR-RYUDHWBXSA-N 304.354 -0.065 30 20 DBED C#CCCN1C[C@@H](NC(=O)[C@@H]2CCc3nn[nH]c3C2)[C@H](OC)C1 1082324706 XROMZRMDYCBAIQ-KCPJHIHWSA-N 317.393 -0.252 30 20 DBED C=CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CN(CC)CCO1 1083281148 XHZKVBLWZDBMBL-RRFJBIMHSA-N 309.410 -0.195 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](NC(=O)C[C@H]2CC(=O)NC2=O)C1 1084129087 GDEAWHUQQGNQTQ-TUAOUCFPSA-N 309.366 -0.833 30 20 DBED N#CCN1CC[C@@H]2CCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C[C@@H]21 1085045246 CLSAXAOAYLXCDG-VWYCJHECSA-N 305.338 -0.969 30 20 DBED C#CCN1CC[C@H]1CN(C)C(=O)c1cn(CC(=O)N(C)C)nn1 1085986358 BHYCJZJPIJPNCO-LBPRGKRZSA-N 318.381 -0.854 30 20 DBED C=C(Cl)CN1CC[C@H](NC(=O)CN2C(=O)CNC2=O)[C@H]1C 1089026096 SISVZZQSJLDCMQ-ZJUUUORDSA-N 314.773 -0.130 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)[C@H]1C 1089045815 ITZZXPAXDLFGTH-WOPDTQHZSA-N 301.412 -0.167 30 20 DBED C#CCCN1C[C@@H]2[C@@H]3CC[C@@H](CN3C(=O)Cn3cnnn3)[C@H]2C1 1089769043 HSFAIXCFOHPLDZ-XGUBFFRZSA-N 314.393 -0.135 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2cc(=O)c(OC)c[nH]2)[C@H](O)C1 1090433140 PBFRCSPJHZZLDX-SMDDNHRTSA-N 319.361 -0.428 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2cccc(=O)n2C)[C@H](O)C1 1090552748 FWHZHQOMMSLTLE-GXTWGEPZSA-N 303.362 -0.426 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)C2CC(=O)NC(=O)C2)[C@H](O)C1 1090636512 BBQQVFFMMXPRSK-NWDGAFQWSA-N 309.366 -0.833 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2c[nH]c(C(N)=O)c2)[C@@H](O)C1 1090813791 WCOQUGISSOSLFK-YPMHNXCESA-N 304.350 -0.698 30 20 DBED COC[C@@H](OC)C(=O)N1C[C@@H](N=c2cc[nH]c(C#N)n2)[C@H](C)C1 1091022935 NCWTVGRFGFIYIN-IJLUTSLNSA-N 319.365 -0.310 30 20 DBED CCOCCCC(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1091080784 MSRICYOXCRQFSW-OLZOCXBDSA-N 319.365 -0.169 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(c2cnc(F)cn2)C[C@@H]1O 1091118658 RSKHCKCVTXPBSU-MXWKQRLJSA-N 310.329 -0.128 30 20 DBED C[C@H](C#N)C(=O)N1CC(n2cc(CNC[C@@H]3CCOC3)nn2)C1 1093311546 FGIGBWLTYCKFHO-NEPJUHHUSA-N 318.381 -0.053 30 20 DBED CC(=O)N1CCOC[C@@H]1C(=O)NCCNc1ccc(C#N)nc1 1093653029 BQRMKWQAPLGRCF-CQSZACIVSA-N 317.349 -0.271 30 20 DBED CS(=O)(=O)CCC(=O)NCCCNc1cncc(C#N)n1 1094877356 PPMFQGMXBUSNIS-UHFFFAOYSA-N 311.367 -0.299 30 20 DBED N#Cc1c[nH]ccc1=NC1CCN(C(=O)CNC(N)=O)CC1 1095214863 DOGGUGHYHUATJX-UHFFFAOYSA-N 302.338 -0.554 30 20 DBED N#Cc1cnc(N[C@H]2CCCN(C(=O)CCNC(N)=O)C2)cn1 1095295443 AMKUTKMOQFEXRY-JTQLQIEISA-N 317.353 -0.190 30 20 DBED N#Cc1ccc(N2CCC(CNC(=O)CNC(N)=O)CC2)cn1 1095338709 KRSBGOHYGKRKTM-UHFFFAOYSA-N 316.365 -0.046 30 20 DBED Cc1cc(C#N)nc(N(C)CCCNC(=O)[C@@H]2CCC(=O)N2)n1 1095597717 ZGDFMUKTCNFWPB-LBPRGKRZSA-N 316.365 -0.122 30 20 DBED CCN(CCCNC(=O)Cn1ncnn1)c1cnc(C#N)cn1 1095925308 PZYVTMLIGGSHQC-UHFFFAOYSA-N 315.341 -0.632 30 20 DBED CCNC(=O)CC(=O)N[C@@H]1CCN(c2ccc(C#N)nn2)C1 1096361216 XVJRIBBTJSIUDC-LLVKDONJSA-N 302.338 -0.431 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@H]1C[C@H](Nc2nccn3nnnc23)C1 1097014701 YDGPFUVMEFITBV-GPCCPHFNSA-N 317.353 -0.095 30 20 DBED CC(=O)NCC(=O)NC[C@H]1CCCCN1c1ccc(C#N)nn1 1097385003 CXAQPVDHTIHANN-CYBMUJFWSA-N 316.365 -0.041 30 20 DBED C[C@H](NC(=O)C(N)=O)[C@H]1CCCN(c2nccnc2C#N)C1 1097547397 HDVNXAHVQYIPJF-UWVGGRQHSA-N 302.338 -0.445 30 20 DBED C[C@@H](CNC(=O)C[C@@H]1NC(=O)NC1=O)Nc1ncccc1C#N 1098378579 XDTUCSDYSKZGGY-WPRPVWTQSA-N 316.321 -0.532 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)c2cc(F)c[nH]2)[C@H](O)C1 1099921019 IUNXILWFRUIOFA-WCQYABFASA-N 324.356 -0.379 30 20 DBED C=CC(C)(C)C(=O)N[C@H]1CCN(CCS(C)(=O)=O)C[C@@H]1O 1099944408 NIJUDLOQORKWBD-RYUDHWBXSA-N 318.439 -0.205 30 20 DBED CCN(CCNC(=O)[C@H](C)NC(C)=O)c1cnc(C#N)cn1 1100435062 ZOCGSYKNTPTFQM-JTQLQIEISA-N 304.354 -0.185 30 20 DBED CCN(CCNC(=O)CCCC(N)=O)c1ccnc(C#N)n1 1100555324 MMSFCESYDIERGL-UHFFFAOYSA-N 304.354 -0.054 30 20 DBED N#Cc1ccc(N2CCC[C@H]2CNC(=O)CCNC(N)=O)nn1 1100833619 WZFQBYPCDLRBJX-NSHDSACASA-N 317.353 -0.508 30 20 DBED C[C@@]1(CC(=O)NCC2CC(NCC#N)C2)CCS(=O)(=O)N1 1100919838 OKMGYWJRWXSLKJ-XIVSLSHWSA-N 314.411 -0.534 30 20 DBED CC(=O)N[C@H](C)C(=O)NCCN(c1cnc(C#N)cn1)C1CC1 1101273953 HZGNHFSMWALWQE-SNVBAGLBSA-N 316.365 -0.042 30 20 DBED C[C@@H](CC(=O)N(C)CCN=c1cc[nH]cc1C#N)NC(N)=O 1101785663 JLQYVZUYQSYRRW-JTQLQIEISA-N 304.354 -0.308 30 20 DBED Cc1cc(C#N)nc(NCCN(C)C(=O)c2nnn(C)n2)n1 1101897000 VCFLGHQOKCRKAF-UHFFFAOYSA-N 301.314 -0.636 30 20 DBED N#Cc1ccc(N2CC[C@H](CCNC(=O)CNC(N)=O)C2)nc1 1102283468 WFRYGKWKFPRXCN-NSHDSACASA-N 316.365 -0.046 30 20 DBED C[C@H](NC(N)=O)C(=O)N(C)[C@H]1CCN(c2cnc(C#N)cn2)C1 1102697969 SEOIOIQTFQPSHU-ONGXEEELSA-N 317.353 -0.558 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1CCNC(=O)c1cn(C)c(=O)nc1O 1103718064 YTCBDMZIJBOCOK-GHMZBOCLSA-N 319.365 -0.303 30 20 DBED CNC(=O)NCCC(=O)NC[C@H](C)CNc1cnc(C#N)cn1 1103929107 PAEKDHJUAQOETB-SNVBAGLBSA-N 319.369 -0.168 30 20 DBED N#Cc1ccc(NC[C@@H]2CCC[C@H]2NC(=O)CC(N)=O)nn1 1105651042 IRRNEDUKEIMZRH-GXSJLCMTSA-N 302.338 -0.080 30 20 DBED CN1CCC[C@@H]1C(=O)NC[C@H](O)CNc1nccnc1C#N 1105755210 KMNWJIJODQILPR-ZYHUDNBSSA-N 304.354 -0.669 30 20 DBED N#Cc1cncc(NC[C@H](O)CNC(=O)Cc2ccon2)n1 1105763230 FFTMEBXJGJLUDO-NSHDSACASA-N 302.294 -0.532 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)C[C@@H]2COC(=O)C2)cn1 1105819860 MQHMEQMGFZWCQU-GWCFXTLKSA-N 318.333 -0.205 30 20 DBED N#Cc1nc(=NC[C@@H](O)CNC(=O)C2(CF)CCC2)cc[nH]1 1106124030 VVGNEOKMLQIKDS-SNVBAGLBSA-N 307.329 -0.201 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)CCNC(=O)COC)C[C@H]1C 1106207478 DHDZSQATFCCBPU-ZIAGYGMSSA-N 309.410 -0.154 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)Cn1nccn1 1106858779 FCCWYBNIUSVMST-UHFFFAOYSA-N 300.326 -0.678 30 20 DBED C#CCNC[C@@H]1CN(C(=O)CC[C@H]2NC(=O)NC2=O)C[C@H]1C 1106962864 XTRPUFNZBVNCHE-IJLUTSLNSA-N 306.366 -0.708 30 20 DBED N#Cc1c[nH]ccc1=NC/C=C/CNC(=O)CCNC(N)=O 1107189273 GRXCZVSWCMEEJO-OWOJBTEDSA-N 302.338 -0.482 30 20 DBED C[C@H](CC(N)=O)C(=O)NC/C=C\CNc1cncc(C#N)n1 1107450193 BZZTYNXSNZESLS-MXQLGCADSA-N 302.338 -0.056 30 20 DBED Cn1c(C(=O)NC/C=C/CN=c2cc[nH]c(C#N)n2)cccc1=O 1107517248 OHHDOFMFNNSREC-NSCUHMNNSA-N 324.344 -0.133 30 20 DBED Cc1cc(=NC[C@@H](C)NC(=O)Cn2cnnc2O)c(C#N)c[nH]1 1107726106 LVSQKSGOQHRPTM-SNVBAGLBSA-N 315.337 -0.403 30 20 DBED C[C@@]1(CNC(=O)CCN2C(=O)CCC2=O)CN(CC#N)CCO1 1108057292 FRFBBVLVUQMHFM-OAHLLOKOSA-N 322.365 -0.744 30 20 DBED CC(=O)N(C)CCCC(=O)NC[C@@]1(C)CN(CC#N)CCO1 1108368697 BRHIHGXBGVIHOR-HNNXBMFYSA-N 310.398 -0.024 30 20 DBED C#CCCCC(=O)N[C@@H]1CC(=O)N(C2CN(CCCO)C2)C1 1108538977 RWBNHRAVEZIKFQ-CYBMUJFWSA-N 307.394 -0.426 30 20 DBED C[C@@H](CNc1ncccc1C#N)NC(=O)C1CS(=O)(=O)C1 1108547402 GFYBNOGJNHVIHG-VIFPVBQESA-N 308.363 -0.086 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)CCCN(C)C)CC2=O)C1 1108566517 LBGRBONZCHHXIU-CYBMUJFWSA-N 306.410 -0.637 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)CCN(C)CC)CC2=O)C1 1108583623 OHHCPHGWUUJQMV-CYBMUJFWSA-N 306.410 -0.637 30 20 DBED C[C@@H](CN(C)c1ccnc(C#N)n1)NC(=O)[C@H]1COCCO1 1108829921 XSSGTUJFBXCWAR-WDEREUQCSA-N 305.338 -0.295 30 20 DBED COC(=O)NCC(=O)N[C@H](C)CN(C)c1ccnc(C#N)n1 1108830930 BKCLWGHLVPZNME-SECBINFHSA-N 306.326 -0.355 30 20 DBED C[C@H](CN(C)c1ccc(C#N)nc1)NC(=O)CS(C)(=O)=O 1108836820 HOHYOWHDFCMXJE-SNVBAGLBSA-N 310.379 -0.061 30 20 DBED C[C@H](NC(N)=O)C(=O)N[C@H](C)CN(C)c1cncc(C#N)n1 1108915504 NJHHBKRQPNVMIG-BDAKNGLRSA-N 305.342 -0.654 30 20 DBED Cc1cc(=NC[C@H](NC(=O)CC(N)=O)C2CC2)c(C#N)c[nH]1 1109800133 RDQKFYBLRPWCPD-ZDUSSCGKSA-N 301.350 -0.134 30 20 DBED COC(=O)NCC(=O)NCC1(Nc2ccnc(C#N)n2)CC1 1110067158 YRHGNIDGUJBLDT-UHFFFAOYSA-N 304.310 -0.235 30 20 DBED CCNC(=O)CC(=O)N(CCO)CCNc1cnc(C#N)cn1 1111453427 FOHIWIICUXQUHL-UHFFFAOYSA-N 320.353 -0.893 30 20 DBED N#Cc1cnc(NCCN(CCO)C(=O)c2cnn[nH]2)cn1 1111585745 KTNUJHNUNYBBLK-UHFFFAOYSA-N 302.298 -0.987 30 20 DBED C[C@@H]1C[C@@H](NC(=O)CNC(N)=O)CCN1c1cnc(C#N)cn1 1112456648 ASGSIWJHBDISIF-ZJUUUORDSA-N 317.353 -0.510 30 20 DBED C#CCNC(=O)CC(=O)N1CCN(Cc2cnn(CC)n2)CC1 1112774427 WOBIZRVNTDWTNJ-UHFFFAOYSA-N 318.381 -0.918 30 20 DBED Cc1ncn(C)c1C(=O)N1CCN(CC(=O)NCC#N)CC1 1112987811 YTTXKVLNEZGELH-UHFFFAOYSA-N 304.354 -0.874 30 20 DBED C[C@H](Nc1cnc(C#N)cn1)[C@@H](C)NC(=O)Cn1ncnn1 1113193964 NKXCUXKAFBDZCD-DTWKUNHWSA-N 301.314 -0.660 30 20 DBED C[C@H](NC(=O)c1nnn(C)n1)[C@@H](C)N=c1cc[nH]cc1C#N 1113258208 BNRYSTQANRDHOK-BDAKNGLRSA-N 300.326 -0.482 30 20 DBED CN(C)C(=O)CCCC(=O)N1CCN(CC(=O)NCC#N)CC1 1113552657 QROPVJIPCPIXIC-UHFFFAOYSA-N 323.397 -0.971 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)N(C)c1ncccc1C#N 1113802865 WLFFIIANTBEJKW-JQWIXIFHSA-N 316.365 -0.082 30 20 DBED C[C@H](CCCNc1ccc(C#N)nn1)NC(=O)CNC(N)=O 1114837105 WAIIXJSHSFAYMM-SECBINFHSA-N 305.342 -0.287 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)[C@@H]2C1 1114859356 PHTJKALNVRCKPI-KSTCHIGDSA-N 317.389 -0.650 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)COC[C@H]3CCCO3)[C@H]2C1 1115354123 IYLIMSSZQSZTMC-AIANPOQGSA-N 322.405 -0.122 30 20 DBED O=C(CN1CCCCC1=O)NCCN/C(O)=C1/N=CC=CC1=O 1116036925 PGMVYRMYCYCFEP-PFONDFGASA-N 320.349 -0.359 30 20 DBED CN(C)CCN1CCC(NC(=O)C(=O)NCCCCC#N)CC1 1117009632 SNRGEWBCIMPFPM-UHFFFAOYSA-N 323.441 -0.061 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCC[C@H]1CCO 1118022787 UOUHERWSWQFIHP-NSHDSACASA-N 318.395 -0.923 30 20 DBED COC1CCN(S(=O)(=O)NC2CCN(CC#N)CC2)CC1 1118441996 VMNIANOSCWGWMO-UHFFFAOYSA-N 316.427 -0.080 30 20 DBED C=CCOCCNC(=O)C(=O)N[C@H](C)c1nnnn1C1CC1 1119136536 KIXVPPGFUPSXCY-SECBINFHSA-N 308.342 -0.496 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N1CCC[C@@]12CCOC2=O 1119198147 BOTMYSGHYDZOMQ-LRDDRELGSA-N 322.361 -0.161 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)c2cc[n+]([O-])cc2)nc1 1121011215 VPTQCIRJKKOYHC-ZDUSSCGKSA-N 313.317 -0.211 30 20 DBED N#Cc1cncc(N[C@@H](CO)CNC(=O)C[C@H]2COC(=O)C2)n1 1121302932 JLPXKZFRMXOQPS-MWLCHTKSSA-N 319.321 -0.810 30 20 DBED Cc1nc(CC(=O)NC[C@@H](CO)Nc2ccc(C#N)cn2)n[nH]1 1121447302 UTJHPICQCYXAPD-NSHDSACASA-N 315.337 -0.489 30 20 DBED CCCN(C)CC(=O)NC[C@H](CO)Nc1nccnc1C#N 1121888265 RQKZHDRLMHPSBG-LLVKDONJSA-N 306.370 -0.421 30 20 DBED CCC[C@@H](OC)C(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1 1122318971 YFACIPKYFMGPMC-GHMZBOCLSA-N 307.354 -0.526 30 20 DBED C[C@@H](C(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1)C(F)(F)F 1122326389 WQLAHGFRLBZIOT-JGVFFNPUSA-N 317.271 -0.142 30 20 DBED Cc1ccc(C#N)c(N[C@H](CO)CNC(=O)c2[nH]nnc2C)n1 1122387532 ZPPAEDFHJGLSMH-NSHDSACASA-N 315.337 -0.109 30 20 DBED CC(=O)N[C@H](C)C(=O)N(C)C[C@@H](O)CNc1cncc(C#N)n1 1124060241 VFXRQQZNILUMNM-SKDRFNHKSA-N 320.353 -0.896 30 20 DBED CN(C[C@@H](O)CNc1cnc(C#N)cn1)C(=O)c1cnon1 1124465867 AHCDTNGAMBSOIK-VIFPVBQESA-N 303.282 -0.724 30 20 DBED C#CCCCCC(=O)NCCNCCCN1C(=O)CNC1=O 1125938446 AUDSYLAXGHGNDU-UHFFFAOYSA-N 308.382 -0.172 30 20 DBED COC[C@@H](C)OC[C@@H](O)CNCCNC(=O)C#CC(C)C 1126815368 BHADDOVNNWPMRR-KGLIPLIRSA-N 300.399 -0.236 30 20 DBED CC(C)C#CC(=O)NCCN[C@@H]1CCN(c2ccn(C)n2)C1=O 1126823109 PQFRYNITCLOKPH-CYBMUJFWSA-N 317.393 -0.109 30 20 DBED CC(=O)N[C@@H](C)C(=O)N(C)C1CC(N=c2cc[nH]c(C#N)n2)C1 1126842159 OCAJYKYCODWEGS-GCVQQVDUSA-N 316.365 -0.304 30 20 DBED C[C@@H](C#N)C(=O)NCc1cnn2c1CN([C@H](C)C(N)=O)CC2 1128265415 ZWRQTZWBXZUJFU-VHSXEESVSA-N 304.354 -0.652 30 20 DBED C#CCN1CCn2ncc(CNC(=O)[C@H](C)CC(N)=O)c2C1 1128431881 MWIZOGBCWADNHC-LLVKDONJSA-N 303.366 -0.540 30 20 DBED CO[C@@H](C)C(=O)NCc1nc([C@H]2CCO[C@H]2CNCC#N)n[nH]1 1130187802 KCHPQGSLTHPPNF-DCAQKATOSA-N 322.369 -0.559 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)COCc1ncc(C)o1 1131168645 OHSVBIMZYCAXOS-LBPRGKRZSA-N 322.365 -0.657 30 20 DBED C#CCCN1C[C@@H](NC(=O)CS(=O)(=O)NC)CC[C@@H]1C 1132494344 RKLWKAZWIARRBL-RYUDHWBXSA-N 301.412 -0.472 30 20 DBED C=CCC[C@@H](C)NCCNC(=O)c1c[nH]nc1S(N)(=O)=O 1133617929 DDGUCNISBDYFRH-SECBINFHSA-N 315.399 -0.269 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)[C@]1(C)CCOC1)C2 1148481307 YRGKCMVXGXYJCO-MRXNPFEDSA-N 319.405 -0.303 30 20 DBED C[C@@H](C(N)=O)N1CCCO[C@H](CNC(=O)CSCC#N)C1 1149206036 DJXPIHZIABKDTG-WDEREUQCSA-N 314.411 -0.676 30 20 DBED C#CCNC(=O)CN1CCCO[C@H](CNC(=O)C2CC=CC2)C1 1149430664 FBHGVVDUKKGEPA-OAHLLOKOSA-N 319.405 -0.091 30 20 DBED N#CCNC(=O)CN1CCCO[C@@H](CNC(=O)C#CC2CC2)C1 1149694364 NFSRASXHRTVXFN-AWEZNQCLSA-N 318.377 -0.753 30 20 DBED C#CCOCCC(=O)NC[C@H]1CN(Cc2cnon2)CCCO1 1149727787 PLJBLUDFPQHSTP-AWEZNQCLSA-N 322.365 -0.183 30 20 DBED C=CCNC(=O)CNCCNC(=O)CNC(=O)c1ccco1 1149884049 JWRCQDJABKYUHQ-UHFFFAOYSA-N 308.338 -0.983 30 20 DBED C=CCNC(=O)CN(CC)[C@H](C)CNC(=O)[C@@H](C)n1cncn1 1152899882 RKVJSBRUNKWMFX-CHWSQXEVSA-N 322.413 -0.032 30 20 DBED CCN(CC#N)[C@H](C)CNC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O 1154987833 ZIVMAHOZKXCMGN-RISCZKNCSA-N 320.397 -0.193 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)CCn1ccnn1 1157122223 AEJSFVJEAOAAFV-GFCCVEGCSA-N 308.386 -0.545 30 20 DBED N#CCNC(=O)CNCC1(CCNC(=O)C#CC2CC2)CC1 1164487550 WUBRQVLIQBHWLW-UHFFFAOYSA-N 302.378 -0.084 30 20 DBED C=CCCNCCCNC(=O)c1c[nH]nc1S(N)(=O)=O 1166333235 IWCNMXNZYQMDSM-UHFFFAOYSA-N 301.372 -0.657 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 1167093453 NGGNKAQLNMDDLJ-DGAVXFQQSA-N 307.394 -0.212 30 20 DBED CC(=O)N[C@@H](CCC(N)=O)C(=O)NCCC1(CNCC#N)CC1 1167466386 KRYBJBBHKRLOFZ-LBPRGKRZSA-N 323.397 -0.844 30 20 DBED C[C@@H](Cc1cnc[nH]1)C(=O)NCCCNCC(=O)NCC#N 1167985683 JUGGYEBSNXQOGK-NSHDSACASA-N 306.370 -0.676 30 20 DBED C=CCCCN1CCO[C@@H]2CCN(C(=O)CNC(N)=O)C[C@@H]21 1176907951 TZTMJSHXRVQKED-QWHCGFSZSA-N 310.398 -0.077 30 20 DBED Cc1cc(C(=O)N2CC[C@H](NCC(=O)NCC#N)[C@@H]2C)nn1C 1178234893 YZCMXWBHRPLWDL-RYUDHWBXSA-N 318.381 -0.439 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC[C@H](NCc2nc(=O)n(C)[nH]2)[C@@H]1C 1180268465 BVSQGWILZPEJEQ-SRVKXCTJSA-N 323.397 -0.222 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2cnn(CC)n2)C1 1182329253 FGJMPKDFJPEDEX-VXGBXAGGSA-N 318.381 -0.760 30 20 DBED C#CCNC[C@@H]1CCN(C(=O)CN(C)C(=O)COC)C[C@H]1C 1184535420 TYWDKSJGJXJODV-KGLIPLIRSA-N 309.410 -0.201 30 20 DBED CC#CCNC[C@H]1CCN(C(=O)CN2CCNC(=O)C2)C[C@@H]1C 1184933373 KAWWDJHEXHJLTN-LSDHHAIUSA-N 320.437 -0.484 30 20 DBED C=C(C)CN(CC)C(=O)[C@@H](C)N[C@@H]1CCN(C(=O)C(N)=O)C1 1185321970 RWJFSRVADZTUKP-VXGBXAGGSA-N 310.398 -0.525 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@H]2CN(Cc3nncn3C)C[C@H]21 1187882842 XOGZYZVUWRKVHL-HZSPNIEDSA-N 317.393 -0.114 30 20 DBED Cc1cnc(C(=O)N2CC[C@H](N(C)CC(=O)NCC#N)C2)cn1 1188710060 QFMUMDVFTYZUBJ-LBPRGKRZSA-N 316.365 -0.429 30 20 DBED C=CCN(CC=C)C(=O)CN(C)[C@H]1CCN(C(=O)CC(N)=O)C1 1189480537 NAQWRCYFRNTOLU-ZDUSSCGKSA-N 322.409 -0.405 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@H](N(C)CC(=O)NC)C2)cn1 1193543007 OGEJJVRKHJCERN-AWEZNQCLSA-N 300.362 -0.045 30 20 DBED CCC1(C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@H]2O)CCC1 1195533277 YHQFCBRNPBJSGU-VXGBXAGGSA-N 308.382 -0.632 30 20 DBED N#CCNC(=O)CN1CCCN(C(=O)[C@@H]2C[C@H]3C=C[C@H]2O3)CC1 1196332960 SKYKHCPOQJOHBI-MGPQQGTHSA-N 318.377 -0.496 30 20 DBED C#CCNC(=O)[C@H](C)N1CCCN(C(=O)Cc2cnoc2)CC1 1196895097 GJKZZSLFIOFSCI-ZDUSSCGKSA-N 318.377 -0.111 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CN(CCc2ccnn2C)C[C@H]1O 1199318274 QKXHZKZHLFMEEA-NWANDNLSSA-N 322.409 -0.285 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CCN(C(=O)CN(C)C(C)=O)CC1 1199414495 MYILSDDECGHQCL-GFCCVEGCSA-N 322.409 -0.817 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)C2CCOCC2)C1 1199583810 WETZNZZLDUATON-NUEKZKHPSA-N 324.421 -0.140 30 20 DBED C=CCNC(=O)[C@@H](C)NC1CCN(C(=O)CC(=O)NC)CC1 1200247103 KZBFNNVLZRZQFK-LLVKDONJSA-N 310.398 -0.606 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)c2ncc[nH]2)CCCO1 1200444316 MEEOGGHQHGEEIA-CYBMUJFWSA-N 306.366 -0.120 30 20 DBED COC[C@@H](O)CNC[C@H]1CN(C(=O)C#CC2CC2)CCCO1 1200452566 JIVHMATYBYRYNH-GJZGRUSLSA-N 310.394 -0.386 30 20 DBED CC#CCNC[C@H]1CN(C(=O)[C@@H]2CCC(=O)N2C)CCCO1 1201186431 IYLXRISQADJSGZ-KBPBESRZSA-N 307.394 -0.162 30 20 DBED C#CCNC[C@@H]1CN(C(=O)Cn2nc(C)ccc2=O)CCCO1 1201909577 ZHLUUXPUGIRBPM-CQSZACIVSA-N 318.377 -0.608 30 20 DBED C#CCNC[C@H]1CN(C(=O)[C@@H]2CCc3nncn3C2)CCCO1 1202124172 HHGDJJSDPMPJKJ-KGLIPLIRSA-N 317.393 -0.319 30 20 DBED C[C@H]1COCC[C@H]1C(=O)N1CCC(NCC(=O)NCC#N)CC1 1202380118 QBTPMQSQJDWLEP-GXTWGEPZSA-N 322.409 -0.121 30 20 DBED CCn1cc(C(=O)N2CCC(NCC(=O)NCC#N)CC2)nn1 1203115833 YXEPGABWBGDCDR-UHFFFAOYSA-N 319.369 -0.868 30 20 DBED CC#CCNCC1CCN(C(=O)CN2CCC(=O)NC2=O)CC1 1206802084 UYFJACZAWIOCSM-UHFFFAOYSA-N 320.393 -0.220 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(C[C@@H](O)COC)C[C@H]1C 1207583167 NYUFUEKIONAOBY-FPCVCCKLSA-N 323.437 -0.472 30 20 DBED CCn1cc(C(=O)N2CCC[C@@H](NCC(=O)NCC#N)C2)cn1 1207701579 NLYKYAAQQCEIPU-CYBMUJFWSA-N 318.381 -0.263 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@@H](NCc2cnsn2)C1 1207869628 IZIPZVOPLTXOAA-LLVKDONJSA-N 321.406 -0.242 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)COCC(F)F)[C@H](C)C1 1208081490 NMDHLXRCIVNZTN-GHMZBOCLSA-N 317.336 -0.546 30 20 DBED CC(C)[C@H](C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C)N(C)C 1208527649 QLUXAWSNBUFRMR-UMVBOHGHSA-N 323.441 -0.351 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@H]2CCC(=O)N2C)C1 1209221769 CENCBAKSQIOXTK-CHWSQXEVSA-N 322.409 -0.510 30 20 DBED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)c1ocnc1C 1212078747 PMIJMRGUBBRFEZ-GHMZBOCLSA-N 321.337 -0.948 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(CC#CCOC)C[C@H]1OC 1212193376 DNGOZYXIUCCZFW-IIAWOOMASA-N 310.394 -0.221 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](NCC#CCOC)[C@H](C)C1 1214473307 CXWFWGRLXZDKPZ-ZIAGYGMSSA-N 305.378 -0.788 30 20 DBED CCN(CC)C(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H](C)C#N 1217531885 BNIQOQPSXGFGNN-MELADBBJSA-N 322.409 -0.074 30 20 DBED C=C(C)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)CS(=O)(=O)NC 1219039457 JWLSWZHLOBTAHA-NWDGAFQWSA-N 317.411 -0.977 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C2CC(C)(C)C2)C1 1219551265 VOLDNKHKPWVGNZ-OLZOCXBDSA-N 309.410 -0.114 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@@H]2CN(C(=O)c3ccon3)[C@@H]2C1 1221322037 LUGHUTQVQCGANU-OUCADQQQSA-N 316.361 -0.041 30 20 DBED C=CCN1CCS(=O)(=O)[C@@H](CCNC(=O)c2cnon2)C1 1230512403 PHZGBALHQZTHJZ-JTQLQIEISA-N 314.367 -0.526 30 20 DBED COCC#CCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCNC(=O)C1 1233610039 DHNVQSGBUYDNAH-UONOGXRCSA-N 307.394 -0.305 30 20 DBED C#CCOCCC(=O)N(C)C[C@H]1CCN1Cc1cn(C)nn1 1234246332 MANHABAAIWCPMJ-CQSZACIVSA-N 305.382 -0.112 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)[C@@]12COC[C@@H]1C2 1234401532 FWAOFQCJBAFDPT-ZENOOKHLSA-N 305.378 -0.695 30 20 DBED COc1ccc(C#N)cc1NC(=O)C(=O)NC1(C(N)=O)CC1 1260309347 KLRDBQHRCILGSG-UHFFFAOYSA-N 302.290 -0.361 30 20 DBED C[C@]1(C#N)CCCN(C(=O)C(=O)N2CCN3CCOC[C@@H]3C2)C1 1261328585 KQLJQYFOBBSJRK-XJKSGUPXSA-N 320.393 -0.318 30 20 DBED C[C@H](O)[C@H]1CCCN1C(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1261861928 KEWRVMAZCWVUQM-IACUBPJLSA-N 320.393 -0.443 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)CCN(C)C(=O)C[C@H]1CCOC1 1271984566 OOJIVTBLEQMALR-ZIAGYGMSSA-N 309.410 -0.059 30 20 DBED COC(=O)N(C)CC(=O)NCCN/C(O)=C1\N=CC=CC1=O 1318402953 LITIUMFEQCTPCP-VAWYXSNFSA-N 310.310 -0.673 30 20 DBED C#CCOCCNC(=O)C(=O)NC1CCN(C(=O)C2CC2)CC1 1321426306 OQIITSSPWXHCNN-UHFFFAOYSA-N 321.377 -0.730 30 20 DBED CC1CCN([C@H](C)CNC(=O)C(=O)N2CCO[C@@H](C#N)C2)CC1 1322519391 FDWYFUWDRXFVGG-KGLIPLIRSA-N 322.409 -0.026 30 20 DBED CCC(=O)N1CC[C@@H](NC(=O)C(=O)N2CCC(C#N)CC2)C1 1323576072 CYYZPNZBLMZEQH-GFCCVEGCSA-N 306.366 -0.124 30 20 DBED O=C1C=CC=N/C1=C(/O)NCCC(=O)N(CCO)CC(F)F 1325000251 ZLCFTPGVNVAYTJ-OUKQBFOZSA-N 317.292 -0.011 30 20 DBED C=CCS(=O)(=O)NC(=O)[C@@H]1CC12CCS(=O)(=O)CC2 1325038461 FOHJMOAPIAILEE-VIFPVBQESA-N 307.393 -0.167 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCSCC1 1325317170 XBEMXQVWMDJCFY-UHFFFAOYSA-N 306.409 -0.721 30 20 DBED C[C@](C#N)(NC(=O)Cn1cnc2c(c1=O)CCNCC2)C1CC1 1326328426 BACFKBCMRJQWDE-MRXNPFEDSA-N 315.377 -0.260 30 20 DBED CC#CC[C@@H](CO)NC(=O)C(=O)Nc1ccn(CCC#N)n1 1329304692 XUBWUHVQRVUSTQ-NSHDSACASA-N 303.322 -0.374 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)NCC1([S@](C)=O)CCC1 1329913451 CRVVLUJEPHPRFI-SBKAZYGRSA-N 302.396 -0.279 30 20 DBED COCCN1CC[C@@H](NC(=O)C(=O)N2CCC[C@H](C#N)C2)C1 1333852419 VOORUWZHWCHLGQ-CHWSQXEVSA-N 308.382 -0.415 30 20 DBED C=CCNC(=O)Cn1nnnc1N1CC[C@H](C2OCCO2)C1 1337177065 YPBPAVDVKARKMG-JTQLQIEISA-N 308.342 -0.826 30 20 DBED C=CCOCc1nnc(N2CC[C@H](C(N)=O)C2)n1CCOC 1341273679 PJNPJUBBYGGAKB-NSHDSACASA-N 309.370 -0.061 30 20 DBED C#CCn1ccc(CN(CC)C(=O)C(=O)NCC[S@](C)=O)n1 1341917561 ZJOWJDFFSHBFNY-QFIPXVFZSA-N 324.406 -0.641 30 20 DBED Cc1ccc(CNC(=O)C(=O)N2CC[C@](F)(C#N)C2)c(=O)n1C 1343452812 NSUWQJWVPGLUEO-HNNXBMFYSA-N 320.324 -0.226 30 20 DBED CNS(=O)(=O)C1CCN(S(=O)(=O)CCCC#N)CC1 1343878211 RZQDSAQDCMIYFI-UHFFFAOYSA-N 309.413 -0.366 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N[C@H]2CC[C@H](O)CC2)nn1 1345699061 JDSHNDHXNCXJRA-UMSPYCQHSA-N 307.354 -0.500 30 20 DBED C[C@@H](OC(=O)CCCC#N)C(=O)N[C@@H]1CCS(=O)(=O)C1 1347436061 ZCURZVVHDHTUMW-NXEZZACHSA-N 302.352 -0.085 30 20 DBED CNC(=O)[C@H]1CCC[C@@H]1NC(=O)C(=O)N[C@@H]1CC[C@H](C#N)C1 1349033116 ZAEGZPUKEZPKDQ-USZNOCQGSA-N 306.366 -0.174 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N1CCN(C)C(=O)[C@@H]1C 1349487478 VNHVVXMJAXLOQK-RYUDHWBXSA-N 309.366 -0.780 30 20 DBED C=CCN(C(=O)C(=O)N1CCN2C(=O)NC[C@H]2C1)[C@@H](C)COC 1350278758 HNPZRBCSXVPWHT-RYUDHWBXSA-N 324.381 -0.728 30 20 DBED C#CCOCCNC(=O)C(=O)NCc1cc(C2CC2)nn1C 1354591501 RIDMJHMCHRYXMS-UHFFFAOYSA-N 304.350 -0.320 30 20 DBED N#C[C@@H]1CSCCN1C(=O)Cn1ncn2nccc2c1=O 1361315492 JENLDLHJFNLRLS-SECBINFHSA-N 304.335 -0.641 30 20 DBED COC(=O)CNC(=O)[C@@H]1CCCN1C(=O)c1ccc(C#N)cn1 1361526234 SAPXVKBCMJFADV-LBPRGKRZSA-N 316.317 -0.153 30 20 DBED C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)NCc1ccnc(C#N)c1 1362766145 LYLPOBCOBSHNLT-TVQRCGJNSA-N 302.334 -0.155 30 20 DBED COCC(=O)NCCC(=O)N1CCC(C#N)(C(=O)OC)CC1 1363204416 LMZQDXYDSIRWFN-UHFFFAOYSA-N 311.338 -0.556 30 20 DBED COc1cc(C#N)ccc1OCC(=O)N1C[C@H](O)[C@@H](CO)C1 1363247545 LZVDGPLBCGHBOF-NEPJUHHUSA-N 306.318 -0.243 30 20 DBED CO[C@H]1CCCN(C(=O)Cn2cc(C#N)c(O)nc2=O)CC1 1363487692 ZOTQXDLKPBMKJD-NSHDSACASA-N 306.322 -0.152 30 20 DBED Cn1c(=O)[nH]c(NCC(C)(C)C2(O)CCOCC2)c(C#N)c1=O 1364562312 ARKHCIZQNAQTBE-UHFFFAOYSA-N 322.365 -0.075 30 20 DBED Cn1cc(C[C@@H](CO)NS(=O)(=O)c2ccc(C#N)nc2)cn1 1365716026 NOODLGXWUYPDRW-LBPRGKRZSA-N 321.362 -0.431 30 20 DBED CCCS(=O)(=O)CC(=O)N(C)C[C@@H](C)NC(=O)[C@@H](C)C#N 1370515608 HBJLPZOERJGNOY-WDEREUQCSA-N 317.411 -0.066 30 20 DBED C=C(Br)CNC[C@@H](O)CNC(=O)Cn1cccn1 1392356986 VCECOPSSOHMGCY-SNVBAGLBSA-N 317.187 -0.142 30 20 DBED C[C@H](C#N)C(=O)NCC1(NCC(=O)N2CCOCC2)CCC1 1393534243 NAWBYJRAZZDEOU-GFCCVEGCSA-N 308.382 -0.367 30 20 DBED C=C(Cl)CN[C@H]1CCN(C(=O)CCS(=O)(=O)NC)C1 1398503023 DHPKZCIPSNXXKQ-JTQLQIEISA-N 309.819 -0.131 30 20 DBED C[C@H](CNC(=O)c1cccn2nnnc12)CNC(=O)[C@H](C)C#N 1399385779 GEWCTPWXTJFLKY-VHSXEESVSA-N 315.337 -0.234 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CN(CCNS(C)(=O)=O)C[C@@H]2C1 1402425226 PRIQHRRZJWSICM-UTUOFQBUSA-N 314.411 -0.915 30 20 DBED N#Cc1cn(CC(=O)N[C@H]2CCN3CCCC[C@H]23)c(=O)nc1O 1411640730 DFMSOWZQYAQXJG-NWDGAFQWSA-N 317.349 -0.436 30 20 DBED CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccnc(C#N)c1 1413882859 KRKIECOFFBKPET-JTQLQIEISA-N 308.363 -0.307 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)c2cccc(C(N)=O)n2)C1 1414967676 JLROYMSDUCJJJN-GUBZILKMSA-N 315.333 -0.283 30 20 DBED C[C@@H](C#N)C(=O)NCC1CN(C(=O)[C@@H]2CCS(=O)(=O)C2)C1 1416119022 HYTXWGPMPSWBBV-GXSJLCMTSA-N 313.379 -0.845 30 20 DBED COCCn1cc(C(=O)N2CC(CNC(=O)[C@@H](C)C#N)C2)nn1 1416123270 ZUMHTLRFOBSCFM-JTQLQIEISA-N 320.353 -0.728 30 20 DBED CC(C)[C@@H](Nc1[nH]c(=O)n(C)c(=O)c1C#N)c1nncn1C 1421120956 GTMNRSYJXJZXKW-SECBINFHSA-N 303.326 -0.117 30 20 DBED C[C@H](C#N)C(=O)N(C)C[C@@H]1CCCN1C(=O)Cc1nc[nH]n1 1426318853 PCWNAGIHFWBJHP-MNOVXSKESA-N 304.354 -0.044 30 20 DBED CCCS(=O)(=O)CC(=O)NC[C@H](C)CNC(=O)[C@@H](C)C#N 1451595119 YTFARVWALLVRJG-QWRGUYRKSA-N 317.411 -0.161 30 20 DBED COCCN(CCNC(=O)[C@@H](C)C#N)C(=O)c1cnn(C)n1 1452151421 OMTCXMBYFFJXFY-JTQLQIEISA-N 308.342 -0.820 30 20 DBED C=C(Cl)CN1CCN(CCNC(=O)[C@@H]2COC(=O)N2)CC1 1479929513 CUIBRVSRIBIOMG-NSHDSACASA-N 316.789 -0.419 30 20 DBED COCC#CCN1CCC[C@@H](NC(=O)c2ccc(=O)n(C)n2)C1 1490457026 AAGFIROBIRMQPK-CYBMUJFWSA-N 318.377 -0.376 30 20 DBED C=CCNC(=O)CN1CCC[C@@H](NC(=O)[C@@H]2CCN(C)C2=O)C1 1566628072 SDROTLMSCOQHLX-OLZOCXBDSA-N 322.409 -0.653 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)CN2CCCC2=O)C1 1566654688 GBNUNLYCHIKKEB-GFCCVEGCSA-N 308.382 -0.899 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](N=c2cc[nH]c(-c3nn[nH]n3)n2)C1 1573563583 AYYRJQLTKJLFNQ-BDAKNGLRSA-N 313.325 -0.749 30 20 DBED O=C(C#CC1CC1)N[C@@]1(CO)CCCN(Cc2cnn[nH]2)C1 1577746313 VRQFSLIVQJBLTC-HNNXBMFYSA-N 303.366 -0.339 30 20 DBED C#CCNC(=O)C1CCN(C(=O)c2cc(C(=O)O)nn2C)CC1 1588479687 ZPDUEKDDSLZQPZ-UHFFFAOYSA-N 318.333 -0.280 30 20 DBED C=CCOC[C@H](NC(=O)[C@@H]1CC[C@H](C(=O)OC)O1)C(=O)O 1588856331 GXWKSBVNMJDWNE-LPEHRKFASA-N 301.295 -0.521 30 20 DBED CO[C@@H]1CS(=O)(=O)C[C@@H]1N1CCC(C#N)(C(=O)O)CC1 1599323756 CMSPWIMPXBXVLJ-VHSXEESVSA-N 302.352 -0.511 30 20 DBED C/N=C(/NCCCc1[nH]nc(N)c1-c1nn[nH]n1)NC1CC1 1604872558 MVOWMPQUMCZYGL-UHFFFAOYSA-N 304.362 -0.568 30 20 DBED N#Cc1nc(N)n(Cc2nnc3n2CCCC3)c1-c1nn[nH]n1 1606390045 VCYJLUHVLGLRIJ-UHFFFAOYSA-N 311.313 -0.507 30 20 DBED C[C@H](CNC(=O)N1CC[C@](O)(CC#N)C1)N1CCN(C)CC1 1649321220 LJLUJIGRBWAWKI-UKRRQHHQSA-N 309.414 -0.318 30 20 DBED C=CCNC(=O)CN1CCC[C@H](CNC(=O)[C@H](C)CC(N)=O)C1 1752784831 KMQUXSSROQNNFJ-CHWSQXEVSA-N 324.425 -0.372 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)[C@H](CCC)OC)[C@H]2C1 1752845009 CUTNYLBOZHGGCV-SBJFKYEJSA-N 321.421 -0.014 30 20 DBED C#CCNC(=O)CNC[C@@H]1CCN(C(=O)[C@H]2CCCOC2)C1 1752933226 ZOZDAWZRMXTVLL-KBPBESRZSA-N 307.394 -0.400 30 20 DBED C[C@H](CCNC(=O)c1csc(O)n1)NCC(=O)NCC#N 1753011766 ALORSOYPQWKMQY-MRVPVSSYSA-N 311.367 -0.414 30 20 DBED C#CCNC(=O)CN1CCC[C@H]1CNC(=O)c1cncnc1 1753101681 VQDIJARXDLKUCT-ZDUSSCGKSA-N 301.350 -0.580 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@@H](CNC(=O)C2(COC)CC2)C1 1753130005 WSILDFPQDLQOMQ-KGLIPLIRSA-N 321.421 -0.011 30 20 DBED C=CCCN(C)C[C@@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 1753359247 FWGRPMNCFLJQNN-LBPRGKRZSA-N 320.397 -0.267 30 20 DBED C=CCOCCN1CC(NC(=O)[C@@H]2CCc3nnc(O)n3C2)C1 1753380666 LHLUWONBEZDTCK-LLVKDONJSA-N 321.381 -0.451 30 20 DBED N#Cc1c[nH]c(C(=O)NC/C=C\CNCC(=O)N2CCC2)c1 1754109637 WUZBIIMAUGJMCU-UPHRSURJSA-N 301.350 -0.006 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NC/C=C/CN[C@@H]1CCNC1=O 1754179323 FNVAGMKSTSXSDM-WEHDMVHDSA-N 322.409 -0.392 30 20 DBED C#CCNC(=O)[C@H](C)NCCCN(C)C(=O)[C@@H]1CCCN1C 1754363475 RFYXHQRSXQFWAD-KBPBESRZSA-N 308.426 -0.343 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@@H]1CNC(=O)Cc1cnn(C)c1 1754475193 MCAXJQJEOHBKMB-GXTWGEPZSA-N 317.393 -0.709 30 20 DBED CC(C)C#CC(=O)N(C)C1CN(CCN2C(=O)CNC2=O)C1 1754575014 LVKWKDKKHTXJAR-UHFFFAOYSA-N 306.366 -0.660 30 20 DBED CCN(CCC#N)C(=O)CNC[C@]1(C)CCN(C(=O)C(N)=O)C1 1754704415 HKEIEYXFJJXGSO-HNNXBMFYSA-N 323.397 -0.938 30 20 DBED N#CCNC[C@H]1CN(C(=O)CCCN2C(=O)CCC2=O)CCO1 1754999517 AUMINMNUJDEFDG-LBPRGKRZSA-N 322.365 -0.744 30 20 DBED C=CCCNC[C@H]1CN(C(=O)c2nccnc2C(N)=O)CCO1 1755016151 WKAIEUZJYOFIJV-NSHDSACASA-N 319.365 -0.418 30 20 DBED N#CCSCC(=O)N1CC[C@@H](N2CCN(CC#N)CC2)C1 1755018320 WURUUCPTUYUVMP-CYBMUJFWSA-N 307.423 -0.015 30 20 DBED C=C(C)CN1CCC(CO)(NC(=O)c2cn(C)c(=O)n2C)CC1 1755182730 STMUXRYODOGRDA-UHFFFAOYSA-N 322.409 -0.143 30 20 DBED Cc1nc[nH]c1C(=O)NC1CC(CNCC(=O)NCC#N)C1 1755223180 HLCOBXAUKXONID-UHFFFAOYSA-N 304.354 -0.544 30 20 DBED C#CCCCC(=O)NC[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@H]12 1755420088 JOLCSCBFHZBZCR-ZSOGYDGISA-N 302.378 -0.276 30 20 DBED C[C@H](NCC#N)[C@H]1CN(C(=O)COCc2nccn2C)CCO1 1755443852 HWLFVFXQVUZLRY-QWHCGFSZSA-N 321.381 -0.334 30 20 DBED C=CCN1CCCC2(C1)CN(C(=O)CS(=O)(=O)NC)C2 1755458497 ITSDOEVXEVZQFO-UHFFFAOYSA-N 301.412 -0.354 30 20 DBED CC(C)C[C@@]1(C(=O)N(C)C[C@H](O)CNCC#N)CCNC1=O 1755781487 FYKAOUQBKIDNEY-DOMZBBRYSA-N 310.398 -0.529 30 20 DBED C[C@@H](C(=O)N[C@@H](CO)CNC(=O)C#CC1CC1)c1cnn(C)c1 1756520033 SUTZBLQWOOHVEV-BXUZGUMPSA-N 318.377 -0.470 30 20 DBED CC(C)(C)C#CC(=O)N[C@@H](CO)CNC(=O)[C@@H]1CCC(=O)NC1 1756531999 GVXJDWBFOBKDID-VXGBXAGGSA-N 323.393 -0.845 30 20 DBED C=C(C)C(C)(C)C(=O)NC[C@@H](CO)NC(=O)CCn1ccnn1 1756541225 WKULDJYOABUUCL-LBPRGKRZSA-N 323.397 -0.136 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@H](NC(=O)c2cnn(C)c2N)C1 1757167725 UVNBHLGLXRAPIN-NEPJUHHUSA-N 319.365 -0.893 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(C)[nH]n1)CCO2 1783055244 VMMGSVNSQPWQKP-HNNXBMFYSA-N 302.334 -0.205 30 20 DBED C[C@H](O)C(=O)N1CC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1783517010 VGVABGUTANSNTB-XHDPSFHLSA-N 307.350 -0.499 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NC(C)=O 1793377050 KDYUIUZSWDTTSI-DABQJJPHSA-N 321.377 -0.876 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cncc(O)c1 1800811881 NEUDCSFURDJVBV-JJLQDPRZSA-N 315.329 -0.376 30 20 DBED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)C#C)C2)C1 1840844437 WKFQQYPZAASXAX-INIZCTEOSA-N 304.346 -0.511 30 20 DBED O=C1CNC(/N=C(\O)c2ccc(S(=O)(=O)NC3CC3)cc2)=N1 50222458 KDEPUUSQKROAKQ-UHFFFAOYSA-N 322.346 -0.082 30 20 DBED C=CCCOCC(=O)N1CCN(CC(=O)NCCOC)CC1 143602290 ZVCZVQVPIPNMKP-UHFFFAOYSA-N 313.398 -0.514 30 20 DBED C=C(C)CN(CC)C(=O)[C@@H](C)N1CCN2C(=O)C(=O)NC[C@@H]2C1 152703292 XFRKYRSRBLDNGG-CHWSQXEVSA-N 322.409 -0.558 30 20 DBED N#Cc1c(F)cccc1S(=O)(=O)N[C@H](CC(=O)O)C(=O)O 166498293 CQCGLZYRDRGDFC-MRVPVSSYSA-N 316.266 -0.096 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(CCC(=O)OCC)c1=O 179697048 XDKWGGOFEUBXPL-UHFFFAOYSA-N 309.322 -0.503 30 20 DBED C/N=C(/NCCN1CCOCC1)N1CCO[C@H](COC)C1 261650295 AYFOERFXCZHCDH-ZDUSSCGKSA-N 300.403 -0.759 30 20 DBED CC#CC(=O)N[C@@H](C(=O)NCCN1CCOCC1)[C@@H](C)CC 283318288 VOJKBWDAHPIXQU-DZGCQCFKSA-N 309.410 -0.011 30 20 DBED C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)NCCn1cnc(C#N)n1 287130451 QURRIWGNWBZNDW-JQWIXIFHSA-N 303.370 -0.068 30 20 DBED C#CCCS(=O)(=O)NCCNS(=O)(=O)c1cccs1 289194743 OGFOYCOZXLZVSO-UHFFFAOYSA-N 322.433 -0.031 30 20 DBED CN1CCN(C)[C@@H](CNS(=O)(=O)c2cncc(C#N)c2)C1 289805933 NEROIWCSTPKKIP-LBPRGKRZSA-N 309.395 -0.523 30 20 DBED CN1CCN(C)[C@@H](C/N=C(/O)CNc2ccc(C#N)cn2)C1 328995870 WJOAKVOFUMGVOU-ZDUSSCGKSA-N 302.382 0.567 30 20 DBED C[C@H]1CN(/C(O)=N/CC(=O)N2CCCC2)CCS1(=O)=O 329464523 URCYYSZJJXGERP-JTQLQIEISA-N 303.384 -0.358 30 20 DBED C/N=C(/O)NC(=O)[C@H](C)N1CCO[C@H](CN(C)CC(=N)O)C1 330392724 BHKGPZDXEFVHHU-VHSXEESVSA-N 315.374 -0.797 30 20 DBED C[C@@H]1C[C@@H](N2CCOCC2)CN1C(=O)Cn1cnc(C#N)n1 332209307 UIOAZNDKLXDMEN-VXGBXAGGSA-N 304.354 -0.529 30 20 DBED C[C@H](O)CC(C)(C)CNS(=O)(=O)N1CCO[C@H](C#N)C1 336937955 HENRIDJODCLAFH-WDEREUQCSA-N 305.400 -0.158 30 20 DBED CCN(CC)[C@@H]1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)C1 337100812 VPPKOHHPNNERAO-OLZOCXBDSA-N 316.427 -0.128 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)NC[C@H](O)C1CCOCC1 337971950 PQEKVOXJZNIGIV-PWSUYJOCSA-N 305.400 -0.158 30 20 DBED C=CCOCC(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 343611133 UKEKRHCXTPAIAF-UHFFFAOYSA-N 308.338 -0.117 30 20 DBED COC(=O)CCN1CC[C@@H](NC(=O)N(C)C[C@H](C)C#N)C1=O 347185330 CWAXEFKEVAODIM-GHMZBOCLSA-N 310.354 -0.049 30 20 DBED CCN(CCCNC(=O)c1cnn(C)c1C#N)S(C)(=O)=O 354810596 URLUMVXJDVDOBP-UHFFFAOYSA-N 313.383 -0.307 30 20 DBED C=CCN(C(=O)[C@H]1CN(CC)CCO1)[C@@H]1CCS(=O)(=O)C1 355252883 ILRJYCRZSGSEPL-CHWSQXEVSA-N 316.423 -0.091 30 20 DBED N#CCNC(=O)CNC(=O)C(=O)N1CCc2c(F)cccc21 357292923 ATJDRBLSQDISLI-UHFFFAOYSA-N 304.281 -0.529 30 20 DBED COC(=O)[C@@H]1CCN(C(=O)NCCn2cnc(C#N)n2)C[C@@H]1C 357873611 DFIOQIHROPNHPJ-WDEREUQCSA-N 320.353 -0.010 30 20 DBED N#CCNC(=O)CNC(=O)NC[C@@H](CO)Cc1ccccc1 358319081 XZBNFQGVCUWVTO-ZDUSSCGKSA-N 304.350 -0.223 30 20 DBED CN(CCC#N)C(=O)Cn1ccc2c(=O)n(C)c(=O)n(C)c21 362629700 BEHAENGVVDHLGV-UHFFFAOYSA-N 303.322 -0.589 30 20 DBED CC(C)C[C@H](NS(=O)(=O)N1CCO[C@H](C#N)C1)C(=O)O 417467384 WJOYENBLPDFGBG-ZJUUUORDSA-N 305.356 -0.456 30 20 DBED C#CCN(C)CCCNC(=O)NC[C@@H]1CC[C@H](C(=O)N(C)C)O1 491804683 MOBQJVAAENWFDH-UONOGXRCSA-N 324.425 -0.124 30 20 DBED CN(C)S(=O)(=O)c1ccsc1C(=O)NCC#CCO 520252219 ZDJUXFLKZMWGBY-UHFFFAOYSA-N 302.377 -0.276 30 20 DBED CCn1cc(CN(C)S(=O)(=O)N2CCO[C@H](C#N)C2)cn1 554534986 NOZCTLBEBRCXCT-GFCCVEGCSA-N 313.383 -0.196 30 20 DBED N#Cc1ccc(CNC(=O)CN[C@]2(C(N)=O)CCOC2)cc1 570289726 KSLMBGLDYZWTLZ-OAHLLOKOSA-N 302.334 -0.592 30 20 DBED C[C@@H]1CCC[C@](C#N)(NC(=O)CNS(=O)(=O)N(C)C)C1 597258407 NILDQRDUORVUCH-PWSUYJOCSA-N 302.400 -0.029 30 20 DBED N#Cc1cccc2c1CCN2C(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 597787821 GPKTZOQDAZLSKA-RBSFLKMASA-N 300.314 -0.140 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H]2[C@H](C)O)C1=O 618915252 USAJRZVZCIOPGZ-VHSXEESVSA-N 309.322 -0.665 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)CCCS(C)(=O)=O 731259368 RRSYLFKCYAUYKU-VIFPVBQESA-N 320.367 -0.245 30 20 DBED C[C@H](CC(N)=O)NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 743524616 YMXRAYSCCNTHDG-MRVPVSSYSA-N 324.362 -0.895 30 20 DBED C[C@H](CNc1ccc(S(N)(=O)=O)cc1C#N)S(N)(=O)=O 776817662 PGQAFRMLADBIQY-SSDOTTSWSA-N 318.380 -0.705 30 20 DBED COC[C@@H](C)CNC(=O)C(=O)NCCNc1ncccc1C#N 787760112 RYSUKUDAYNAYMD-NSHDSACASA-N 319.365 -0.120 30 20 DBED C#CCC[C@H](O)CNC(=O)NC[C@H](C)CN1CCN(C)CC1 798424173 ATPOORUUWHLNFZ-GJZGRUSLSA-N 310.442 -0.057 30 20 DBED C#C[C@H](NC(=O)C(=O)NCC1(N(C)C)CCC1)[C@H]1CCCO1 807026850 FGLZZVGHGIAKFE-QWHCGFSZSA-N 307.394 -0.116 30 20 DBED C[C@@](C#N)(CC(=O)O)C(=O)NCCCN1CCC[C@H](C(N)=O)C1 819834016 LMKKORBLDITIFK-NHYWBVRUSA-N 324.381 -0.305 30 20 DBED COCCN(CCC#N)S(=O)(=O)NCC[C@@H](C)C(=O)O 844787659 XMCPJJQYRFMEFY-SNVBAGLBSA-N 307.372 -0.206 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCOC[C@@H]1CC(=O)O 844791149 GQZBBNPDNBFXOC-UWVGGRQHSA-N 305.356 -0.502 30 20 DBED C#CCCN1CCN(S(=O)(=O)N2CCCOCC2)CC1 845829945 DZJVSRHSBBEXSF-UHFFFAOYSA-N 301.412 -0.406 30 20 DBED NS(=O)(=O)c1ccc(C(=O)N[C@H]2CCCN(O)C2=O)s1 848138634 OYPOPJHIINJYKV-LURJTMIESA-N 319.364 -0.495 30 20 DBED C#C[C@@](C)(CC)N[C@@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O 852100302 GTJGVLAGXNHBCB-VFZGTOFNSA-N 306.366 -0.371 30 20 DBED C=CCNC(=O)NC(=O)CN1CCN(c2cc(F)ncn2)CC1 852128574 SAVXYIYSHQKRLN-UHFFFAOYSA-N 322.344 -0.251 30 20 DBED CCOC(=O)C1(S(=O)(=O)N2CCN(CC#N)CC2)CCC1 866696420 JIZROVNYRHSHPR-UHFFFAOYSA-N 315.395 -0.057 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)NC[C@@H]1CC(=O)N(CC)C1 875440527 FLRMKRUNXGSXSR-QWHCGFSZSA-N 323.393 -0.484 30 20 DBED C#CC1(O)CN(S(=O)(=O)CC2(C(=O)OC)CCCC2)C1 908228339 LIVBGLLBWMKRSL-UHFFFAOYSA-N 301.364 -0.271 30 20 DBED CN(CCc1ccccn1)C(=O)CNC(=O)NCC#CCO 923782679 RCPNGXIULWEMSG-UHFFFAOYSA-N 304.350 -0.623 30 20 DBED C=CCS(=O)(=O)CCN1C(=O)N[C@](CC)(COC)C1=O 927675042 VZNHZQIDQAJKFE-GFCCVEGCSA-N 304.368 -0.066 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)Cn1cncn1 940435650 HQJAOMRIHXSAPY-DGCLKSJQSA-N 301.350 -0.345 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](NC(=O)c2ccn(C)c(=O)c2)C1 941418445 JWBKHSMRMITILQ-CMPLNLGQSA-N 302.334 -0.124 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@H](CNC(=O)c2cnsn2)C1 944499032 WUBVIMKNIOUPJE-RKDXNWHRSA-N 309.351 -0.345 30 20 DBED N#CCN1CCC2(CC1)CN(C(=O)[C@H]1CCC(=O)NC1)CCO2 949129445 JZGPIJXEXNBLJI-ZDUSSCGKSA-N 320.393 -0.270 30 20 DBED C=CCN1CCOC2(CCN(C(=O)[C@@H]3COC(=O)N3)CC2)C1 949355709 VGRYMCBPBUWCCC-LBPRGKRZSA-N 309.366 -0.026 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CNC(=O)[C@@H]2CC(=O)N(C)C2)CC1 949390448 FYQNSZRJVHSSEV-DGCLKSJQSA-N 320.393 -0.021 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2CCN2C(=O)c2cn(C)nn2)cn1 951376458 GGXRRCNOXLMXTR-CYBMUJFWSA-N 324.344 -0.164 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](CNC(=O)c2cc(C(N)=O)cn2C)C1 958220465 YWFALHOOXWDMQZ-TZMCWYRMSA-N 320.393 -0.277 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2nnc3ccccc3n2)C1 958263620 RLSMIMHPYFGRMC-SMDDNHRTSA-N 311.345 -0.320 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](CNC(=O)c2c[nH]c(=O)cn2)C1 958350414 PWXANSWOHWYKPE-MWLCHTKSSA-N 312.757 -0.455 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2cnn3c2CCCC3)C1 958559717 SDFACXWRXHVQLC-IUODEOHRSA-N 302.378 -0.125 30 20 DBED C#CCN1C[C@H](CNC(=O)c2cnccc2N(C)C)[C@@H](O)C1 958598596 KLGMRZDNSZCIQH-WFASDCNBSA-N 302.378 -0.197 30 20 DBED N#CCN1C[C@H](CNC(=O)c2ccc(NC(N)=O)cc2)[C@@H](O)C1 958644633 LEUDDLDXDUCZST-AAEUAGOBSA-N 317.349 -0.277 30 20 DBED C#CCN1C[C@H]2C(NC(=O)CN3CCCCS3(=O)=O)[C@@H]2C1 961138401 BGQUEFSJAOYENU-VXGBXAGGSA-N 311.407 -0.908 30 20 DBED Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)cn1 961589716 NXLDDYRHXGOCFM-WQAKAFBOSA-N 302.334 -0.149 30 20 DBED C#CCN1C[C@H]2C(NC(=O)c3cn(C4CCOCC4)nn3)[C@@H]2C1 962232075 QXANBDKUQZQALN-CHWSQXEVSA-N 315.377 -0.077 30 20 DBED C#CCN1C[C@H]2C(NC(=O)c3ccc(=O)n(CCC)n3)[C@@H]2C1 962527040 NHRGFCNTSICGLG-VXGBXAGGSA-N 300.362 -0.054 30 20 DBED C[C@H](C#N)C(=O)N1CCOC2(C1)CN(C(=O)[C@H]1COCCO1)C2 965473799 PCNDVAQFCFSHLQ-VXGBXAGGSA-N 323.349 -0.999 30 20 DBED Cc1ncc(C(=O)N[C@H]2COC3(C2)CN(C(=O)[C@H](C)C#N)C3)[nH]1 965655890 NEAIUJVGMLDYSS-MWLCHTKSSA-N 317.349 -0.023 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H](NC(=O)[C@@H]2CCCN2C(N)=O)C1 965988756 KHTFLEZPWNAGGY-TUAOUCFPSA-N 321.381 -0.204 30 20 DBED C[C@@H]1CN(C(=O)c2cnn[nH]2)C[C@@H]1NC(=O)c1c[nH]c(C#N)c1 966573388 PRRSRVUUANECPR-PELKAZGASA-N 313.321 -0.105 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc[nH]n2)C[C@@H]1O 970702481 SRIVAKXVZTYGIY-XEZLXBQYSA-N 320.349 -0.698 30 20 DBED C=CCN1C[C@H]2CC[C@H]1CN2C(=O)c1cn(C)c(=O)n(C)c1=O 971882936 WWOVCSOXFMJRNC-NWDGAFQWSA-N 318.377 -0.441 30 20 DBED C#CCN1CCC(C(=O)N2C[C@H]3CC[C@H]2CN3CCO)CC1 972145672 PHCJKFAVWMSJAV-CVEARBPZSA-N 305.422 -0.001 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)Cn2cncn2)C1 973551483 WHHHXZXWSZISBE-LPWJVIDDSA-N 319.365 -0.367 30 20 DBED N#Cc1ccc(C(=O)NC[C@@H]2CCCN(C(=O)CC(N)=O)C2)[nH]1 975218118 GFIQPLHOYODPPF-JTQLQIEISA-N 317.349 -0.270 30 20 DBED C=CCn1cc(C(=O)NCC2[C@@H]3CN([C@H](C)C(N)=O)C[C@@H]23)nn1 978822161 WIGLCDVDPNTTOG-USWWRNFRSA-N 318.381 -0.755 30 20 DBED CN(C)c1ccc(C(=O)NCC2[C@@H]3CN(CC#N)C[C@@H]23)nn1 978971439 IBERTOSEMLDGPM-RYUDHWBXSA-N 300.366 -0.026 30 20 DBED N#Cc1c[nH]c(C(=O)NC2CN(C(=O)[C@@H]3COCCO3)C2)c1 990695758 NHPIREZCQUJTSO-LBPRGKRZSA-N 304.306 -0.758 30 20 DBED N#Cc1ccc(C(=O)NC2CN(C(=O)CCn3ccnn3)C2)[nH]1 990886517 BTOFUZIKQAVJQR-UHFFFAOYSA-N 313.321 -0.491 30 20 DBED Cc1nnc(CC(=O)NC2CN(C(=O)c3cc(C#N)c[nH]3)C2)o1 991167331 JNSJSGLTLJXDGU-UHFFFAOYSA-N 314.305 -0.239 30 20 DBED C=CCn1cc(C(=O)NC2CN(C(=O)C[C@H]3CCCO3)C2)nn1 991673600 NADRGJUEOJZIOS-GFCCVEGCSA-N 319.365 -0.026 30 20 DBED C=CCn1cc(C(=O)NC2CN(C(=O)c3ncccn3)C2)nn1 991673826 PLTGARQJQFBRSZ-UHFFFAOYSA-N 313.321 -0.492 30 20 DBED N#CCN1CC[C@]2(NC(=O)C3CC(=O)NC(=O)C3)CCC[C@H]12 992333473 WHQRWLRYXHVWPA-XHDPSFHLSA-N 304.350 -0.324 30 20 DBED Cn1nnc(CNCC2CCN(C(=O)C#CC3CC3)CC2)n1 997764936 WPDHEJLTJNJLJW-UHFFFAOYSA-N 302.382 -0.048 30 20 DBED CN(C(=O)[C@H]1CCN(C)S1(=O)=O)C1CC(NCC#N)C1 999535184 FJDASTUXDOGYJT-VQXHTEKXSA-N 300.384 -0.877 30 20 DBED CC#CCN1CCC(NC(=O)c2cn(C)c(=O)n(C)c2=O)CC1 1003727039 WJMQZMRUSPICTQ-UHFFFAOYSA-N 318.377 -0.699 30 20 DBED C#Cc1cncc(C(=O)N2CC[C@H](C)[C@H](NC(=O)C(N)=O)C2)c1 1005224027 NWYHPOPPZGYROH-GXFFZTMASA-N 314.345 -0.485 30 20 DBED C#Cc1cncc(C(=O)N[C@H]2CN(C(=O)C(N)=O)CC[C@H]2C)c1 1005257751 IGPCFPMHYBKZPY-MFKMUULPSA-N 314.345 -0.485 30 20 DBED COCCn1cc(C(=O)N2CCN(C(=O)[C@@H](C)C#N)CC2)cn1 1011985517 LYGFFABURBAHKQ-LBPRGKRZSA-N 319.365 -0.026 30 20 DBED C#CCCN1CCC2(CC1)C[C@@H]2NC(=O)c1nnc(O)nc1O 1016710541 SAENQSJHSLCIBU-JTQLQIEISA-N 317.349 -0.110 30 20 DBED C[C@@H]1CC[C@H](NC(=O)C(N)=O)CN1C(=O)c1ccc(C#N)[nH]1 1018375024 ZKKBYIXZBVTJFP-SCZZXKLOSA-N 303.322 -0.519 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCN(C(=O)[C@H]3CCC(=O)NC3)C2)C1 1019367117 QEHWIFCNTBDLJK-RYUDHWBXSA-N 318.377 -0.267 30 20 DBED C#CCCN1CCC[C@@H](CNC(=O)[C@@H]2CCS(=O)(=O)N2)C1 1023753679 LUCKXQGLDLRHHT-STQMWFEESA-N 313.423 -0.470 30 20 DBED Cc1cc(O)ncc1C(=O)N[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1O 1025566089 XDOPEIBLVHCIPD-YUSALJHKSA-N 318.333 -0.443 30 20 DBED C=CCN1CCC[C@@H]1CNC(=O)[C@@H]1CCN(C)S1(=O)=O 1028196186 DNDIGYGUOQICRS-NEPJUHHUSA-N 301.412 -0.213 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)C[C@H]3CCC(=O)N3)C2)C1=O 1031094234 PZGHWSSVJCTJCK-DGCLKSJQSA-N 320.393 -0.758 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCC1CN([C@H]2CCN(C)C2=O)C1 1031988608 GAZPUURTPYDETR-RDBSUJKOSA-N 307.394 -0.144 30 20 DBED C#CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(CCN(C)C)c1 1032675712 JRJAINKGFRQDEA-GJZGRUSLSA-N 301.394 -0.023 30 20 DBED C#CCN1CC[C@@H](N(C)C(=O)Cc2ccc(C(N)=O)nc2)C1 1033194513 LHBQHXQACFFXRK-CYBMUJFWSA-N 300.362 -0.111 30 20 DBED C#CCN1CC[C@@H](N(C)C(=O)c2coc(S(N)(=O)=O)c2)C1 1033205008 BHMYVPNFXQESHU-LLVKDONJSA-N 311.363 -0.294 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)c2cn(C)c(=O)n(C)c2=O)C1 1033472132 FSSGBAOEUQDQKS-LLVKDONJSA-N 306.366 -0.584 30 20 DBED C=CCN[C@H]1CCN(C(=O)CN2CC(=O)NC2=O)C[C@@H]1CC 1037939630 HMLIWOBTSMXPCD-RYUDHWBXSA-N 308.382 -0.059 30 20 DBED C#CCCN1CC[C@H]1CNC(=O)[C@H]1CCc2nnnn2CC1 1038723534 NFEYFFFOWLPZDD-STQMWFEESA-N 302.382 -0.161 30 20 DBED C#CCCCC(=O)NC[C@@]1(O)CCN(C(=O)c2cncnc2)C1 1039572637 ANHIMNJININNIT-INIZCTEOSA-N 316.361 -0.027 30 20 DBED CN(C)CCC(=O)N1CC[C@](O)(CNC(=O)C#CC2CC2)C1 1039680271 BVNKMBHXWSYANH-INIZCTEOSA-N 307.394 -0.569 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)Cc2cccnc2)C1 1040248566 UGGSXXJGGSZCHE-BLLLJJGKSA-N 316.361 -0.137 30 20 DBED CC(C)C#CC(=O)N1CC[C@](O)(CNC(=O)Cc2cnoc2)C1 1040642389 UMXPTRPYXZGHJY-INIZCTEOSA-N 319.361 -0.044 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)c2nccs2)C1 1040682746 SVLMIESVVHZXIZ-ZANVPECISA-N 308.363 -0.004 30 20 DBED C[C@]1(C(=O)N[C@@H]2CN(c3cncc(C#N)n3)C[C@H]2O)CCOC1 1041147070 HSXYOHGMUFCTBR-JMSVASOKSA-N 317.349 -0.559 30 20 DBED C#CCNC(=O)CC(=O)N1CC(O)(CNC(=O)CCCC)C1 1041511548 IIVMFKDVBQQLKX-UHFFFAOYSA-N 309.366 -0.994 30 20 DBED C#CCCN1CC[C@@H]2CCN(C(=O)CN3CCOCC3=O)C[C@H]21 1042098222 NYSHIDPFSMRNFK-HUUCEWRRSA-N 319.405 -0.209 30 20 DBED CS[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2ccc(C#N)[nH]2)C1 1042609055 PUPRUKLQZMDMHF-VIFPVBQESA-N 322.390 -0.059 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)[C@@]2(C)CCOC2)C1 1042799107 JHUHEDZUWHEHQP-HNNXBMFYSA-N 308.378 -0.094 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)[C@@]2(F)CCOC2)C1 1042805049 JJFAFNDIAPYZHA-OAHLLOKOSA-N 312.341 -0.392 30 20 DBED C[C@H]1CN(C)C[C@@H]1C(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042963655 QXEWNHHREDRUAA-JSGCOSHPSA-N 319.405 -0.713 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)C1CN([C@@H](C)C(=O)N(C)C)C1 1042963912 WCFHPSVBTUORMS-ZFWWWQNUSA-N 320.437 -0.297 30 20 DBED Cn1cncc1C(=O)N1CC(O)(CNC(=O)C#CC(C)(C)C)C1 1042970534 ODQXTKSCGOPPEA-UHFFFAOYSA-N 318.377 -0.227 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)[C@@H](C)NC(=O)CC)C1 1043402096 CUYULFOPYNOBNN-LLVKDONJSA-N 311.382 -0.443 30 20 DBED C=CCCOCC(=O)NCC1(O)CN(C(=O)C(C)(F)F)C1 1043563907 DUTIRQPRAJOTKH-UHFFFAOYSA-N 306.309 -0.076 30 20 DBED C=CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2cc(C)on2)C1 1043567782 GRQZIKPUOQYCAO-NSHDSACASA-N 323.349 -0.123 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)CCc2cncnc2)C1 1043876902 XEQXBJQRPCUYDG-NSHDSACASA-N 317.349 -0.742 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CN(c3cnc(F)cn3)C[C@@H]2O)c1 1043885537 CONDNKZMMKBABP-MNOVXSKESA-N 316.296 -0.205 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)c2cc3c([nH]2)CCC3)C1 1043898072 AQIBQDOOETXKDS-SNVBAGLBSA-N 316.361 -0.034 30 20 DBED CN(C)CC1(C(=O)NCC2(O)CN(C(=O)C#CC3CC3)C2)CC1 1045391303 DGAXXHDFQGJYEV-UHFFFAOYSA-N 319.405 -0.569 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1045545937 FAJJQCWJSVLFRO-QKFSQAGISA-N 319.361 -0.741 30 20 DBED C#CCN1CC[C@](C)(NC(=O)c2ccc(S(N)(=O)=O)o2)C1 1046445919 KWQDGSLBRJELOG-ZDUSSCGKSA-N 311.363 -0.246 30 20 DBED C#CCCN1CC[C@](C)(NC(=O)c2cnc(O)n(C)c2=O)C1 1046536668 WXRWCNRFYCTNHK-HNNXBMFYSA-N 304.350 -0.297 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2coc(C(N)=O)c2)C1 1047471230 HNYLTOXTTNSYPV-RYUDHWBXSA-N 305.334 -0.481 30 20 DBED NC(=O)NCC(=O)N1C[C@H]2C[C@H](NC(=O)C#CC3CC3)C[C@H]1C2 1047518794 OLNLMTSMRTUNAW-RWMBFGLXSA-N 318.377 -0.436 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cnc(OCC)cn2)C1 1047649434 ASHSNDCTYIYPHB-STQMWFEESA-N 304.350 -0.374 30 20 DBED CN(C(=O)C#CC1CC1)[C@H]1CN(C(=O)C[C@@H]2CCOC2)C[C@@H]1O 1048821448 NVRPVFMUICAPJL-KKUMJFAQSA-N 320.389 -0.144 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cc2ccn(C)n2)C1 1048821600 TYHCYRFAAXPZNJ-KBPBESRZSA-N 320.393 -0.041 30 20 DBED C#CCOCCC(=O)N1CC[C@@H]([C@H](C)NC(=O)CC(N)=O)C1 1050729225 PENBXKARIZSWLY-NWDGAFQWSA-N 309.366 -0.745 30 20 DBED C[C@]12CN(C(=O)C(N)=O)C[C@H]1CN(c1ccc(C#N)nn1)C2 1052546394 ORNZYFIFORSMKD-OTYXRUKQSA-N 300.322 -0.882 30 20 DBED C=CCCN1CC2(C1)CN(C(=O)[C@H]1COCCN1C)CCO2 1053226645 HZIWBWAZTZJQHM-CQSZACIVSA-N 309.410 -0.194 30 20 DBED COc1c(C(=O)N2CCOC3(CN(CC#N)C3)C2)c(C)nn1C 1053454660 XXFYHSMETCHQJL-UHFFFAOYSA-N 319.365 -0.213 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)Cc1cncn1C)CCO2 1053509708 MLIDNKAFGWKEOP-UHFFFAOYSA-N 302.378 -0.101 30 20 DBED C#CCN1CC2(CC[C@H](CNC(=O)c3ccn(C)c(=O)c3)O2)C1 1053619605 TYEDEJBEJSDCBV-CQSZACIVSA-N 315.373 -0.018 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)[C@H]3COCCN3CC)CO2)C1 1053854064 REDDFUKZVWNFHB-UONOGXRCSA-N 307.394 -0.700 30 20 DBED Cc1c(C(=O)N2CCN(c3cncc(C#N)n3)CC2)nnn1C 1055758536 DMUAMCXDYMNBSZ-UHFFFAOYSA-N 312.337 -0.252 30 20 DBED C=CCCC(=O)N[C@]1(CO)CCCN(C(=O)Cn2nccn2)C1 1055824497 VCZDPNNNIHLHNI-OAHLLOKOSA-N 321.381 -0.286 30 20 DBED N#Cc1ccc(N2C[C@H]3C(NC(=O)[C@@H]4CNC(=O)N4)[C@@H]3C2)cn1 1056391781 GVSBNAJCKXYXAH-UTUOFQBUSA-N 312.333 -0.815 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H]1CCN(C(=O)[C@H]2CCCNC2=O)C1 1056721375 LTSJJZBILWSURR-OLZOCXBDSA-N 313.361 -0.086 30 20 DBED CN(c1ccc(C#N)cn1)[C@@H]1CCN(C(=O)Cn2ncnn2)C1 1056967876 MEWAMWQGMOOXSK-GFCCVEGCSA-N 312.337 -0.323 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)[C@@H]1COCCO1 1057041928 UPIAROJIIZFBHE-ZDUSSCGKSA-N 312.366 -0.858 30 20 DBED Cc1ncc(C(=O)N(CCO)CCNC(=O)C#CC2CC2)[nH]1 1057206239 JUBSGJOKGHOSCA-UHFFFAOYSA-N 304.350 -0.318 30 20 DBED C=C[C@@](C)(O)CC(=O)N(CCO)CCNC(=O)[C@H](C)COC 1057449507 DGSLFKOBZCEVBQ-IUODEOHRSA-N 316.398 -0.467 30 20 DBED C#CCO[C@H](C)C(=O)NCCN(CCO)C(=O)CC(C)(C)O 1057463133 LCUUDECBWXTNLH-GFCCVEGCSA-N 314.382 -0.877 30 20 DBED Cn1nnc(C(=O)N[C@H]2CCCN(c3ccc(C#N)cn3)C2)n1 1058218793 DECNWWNTHSBMPX-NSHDSACASA-N 312.337 -0.124 30 20 DBED Cn1nnc(C(=O)N[C@H]2CCCN(c3ccncc3C#N)C2)n1 1058219361 QRWOHEMHQQSSBF-NSHDSACASA-N 312.337 -0.124 30 20 DBED C=C1CC(C)(C(=O)NCCN(CCO)C(=O)[C@H]2CCNC2=O)C1 1058299090 VSVMFJFUKHQJPH-LBPRGKRZSA-N 323.393 -0.584 30 20 DBED Cc1nnsc1C(=O)NCCN(CCO)C(=O)[C@H](C)C#N 1058653412 VBRUDVCLRBBGLQ-MRVPVSSYSA-N 311.367 -0.443 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@H](CCNC(=O)c2cnn[nH]2)C1 1059648004 KWCNIUZVXCCQJN-RYUDHWBXSA-N 319.365 -0.189 30 20 DBED CC#CCCCC(=O)N1CCOC[C@H]1CNC(=O)CC(N)=O 1061443600 VTNJZCYLCPGRMY-GFCCVEGCSA-N 309.366 -0.601 30 20 DBED C#CCNC(=O)CC(=O)NC1(CNC(=O)[C@H](C)OCC)CCC1 1062605992 MQJWXJHHUFFOIO-LBPRGKRZSA-N 323.393 -0.294 30 20 DBED C=CCOCC(=O)NCC1(NC(=O)Cn2cnnc2O)CCC1 1062702438 QKJDOUUAFCBQPO-UHFFFAOYSA-N 323.353 -0.659 30 20 DBED COCC(=O)N[C@H](C)C(=O)NC1(CNC(=O)[C@H](C)C#N)CCC1 1064311043 WFAKLUGKBPOQOV-GHMZBOCLSA-N 324.381 -0.548 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H]1CN(C(=O)[C@@H](C)CC)CCO1 1064870115 HGTZPEOLMGMFMS-QWHCGFSZSA-N 323.393 -0.484 30 20 DBED N#Cc1ccc(N2C[C@H]3CN(C(=O)Cn4nccn4)C[C@H]3C2)nn1 1066032915 RLEOCHRUPNNQRR-TXEJJXNPSA-N 324.348 -0.465 30 20 DBED C=CCCC1(C(=O)N2CC3(C[C@@H](NC(=O)C(N)=O)CO3)C2)CC1 1068992727 NQVAEWVAGJAQHM-LLVKDONJSA-N 321.377 -0.296 30 20 DBED C=C(C)CN1CCn2ncc(CNC(=O)[C@H]3CNC(=O)N3)c2C1 1069871774 NFUHRMVXAVFGIO-GFCCVEGCSA-N 318.381 -0.428 30 20 DBED C=C(C)CN1C[C@H](n2ccnn2)[C@H](NC(=O)c2ncn(C)n2)C1 1069920307 GKEBYMDYHWINOT-NEPJUHHUSA-N 316.369 -0.362 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@@H](NC(=O)[C@H](O)C(C)C)C1 1070636388 VMZQTFIVPBOMMZ-IUODEOHRSA-N 323.393 -0.750 30 20 DBED Cn1cnc(C(=O)N2CCC[C@@H](NC(=O)C#CC3CC3)C2)n1 1070689118 LYEQAHBQJIBONP-GFCCVEGCSA-N 301.350 -0.051 30 20 DBED C#CCN1CC[C@]2(C1)CN(C(=O)CS(C)(=O)=O)C[C@@H](C)O2 1071144971 XVPCNWXHGZXNLX-OCCSQVGLSA-N 314.407 -0.644 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@H]1CCN(C(=O)C(N)=O)CC1(C)C 1073380794 ZWSFEVXSHDLGGK-ZUZCIYMTSA-N 311.382 -0.458 30 20 DBED CNC(=O)CC(=O)N[C@H]1CCN(C(=O)C#CC2CC2)C[C@H]1C 1073909449 HEMHKEGAWQSXCM-YPMHNXCESA-N 305.378 -0.111 30 20 DBED C=C(C)CN1CCO[C@H]2CCN(C(=O)CCn3cnnn3)C[C@@H]21 1074368946 NUUKYUBWEDBYRV-KBPBESRZSA-N 320.397 -0.059 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(O)(CNC(=O)c2cnns2)CC1 1074704764 HUDMFLYYZACEND-VIFPVBQESA-N 323.378 -0.219 30 20 DBED C#CCOCCC(=O)N1CC[C@H](NC(=O)CC(=O)NC)C[C@H]1C 1074952305 BHFQUQGQZIDCHP-OLZOCXBDSA-N 323.393 -0.342 30 20 DBED C=CCOCC(=O)N1CC[C@@H](NC(=O)Cn2ncnn2)C[C@@H]1C 1075004864 VWVBMJNYGDKIDZ-NWDGAFQWSA-N 322.369 -0.629 30 20 DBED C=CCOCC(=O)N1CC[C@H](NC(=O)Cn2nccn2)C[C@@H]1C 1075005596 CFUWDWKXRFIESU-STQMWFEESA-N 321.381 -0.024 30 20 DBED C#CCO[C@H](C)C(=O)NCC[C@H](C)NC(=O)CCNC(N)=O 1076510197 GNERCSUEDLWLHF-WDEREUQCSA-N 312.370 -0.906 30 20 DBED C=CCN1CC[C@@H](N2C[C@@H](O)[C@H](NC(=O)c3ccon3)C2)C1=O 1076779140 FDDFTWCNESLCSV-JHJVBQTASA-N 320.349 -0.764 30 20 DBED C=CCn1cccc1C(=O)N[C@@H]1CN([C@H](C)C(N)=O)C[C@H]1O 1077138248 ADLCDXGSSIRISO-NQBHXWOUSA-N 306.366 -0.677 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2COCCN2CCCC)C1 1077443928 CQXTYANGRZFOGB-QLFBSQMISA-N 311.426 -0.165 30 20 DBED C=C1CCC(C(=O)N[C@@H]2CN(Cc3nnn(C)n3)C[C@H]2O)CC1 1077621625 SEYTXQSIRZFKAB-CHWSQXEVSA-N 320.397 -0.382 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2CN([C@H](CC)C(N)=O)C[C@H]2O)c1 1077649822 GZWRXJXSOHEQID-MGPQQGTHSA-N 316.361 -0.898 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2c(F)cccc2NC(N)=O)C1 1077754681 NRVCVYXKCJQFTM-GHMZBOCLSA-N 321.312 -0.385 30 20 DBED C=CCOc1cccnc1C(=O)N[C@@H](C)CCNC(=O)C(N)=O 1078118095 DKJFTHKAZSHFJA-JTQLQIEISA-N 320.349 -0.244 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)c2nc3nccc(C)n3n2)C1 1078120984 KFITZEQWCZPYDV-VXGBXAGGSA-N 316.365 -0.216 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)N2CCCCC2=O)C1 1078224799 ZWPNFGFIPTVALQ-MGPQQGTHSA-N 307.394 -0.428 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)Cn2c(C)c(C)sc2=O)C1 1078229294 BPZYVADIKQQCLD-VXGBXAGGSA-N 311.407 -0.126 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)[C@H](C)C1 1079691169 QEDIFFJWNKOJHE-YRGRVCCFSA-N 315.377 -0.168 30 20 DBED CNC(=O)CC(=O)NC1(CO)CCN(C(=O)C#CC2CC2)CC1 1080829388 WVOMXIDMAHEZHW-UHFFFAOYSA-N 321.377 -0.994 30 20 DBED C=C(C)CCC(=O)N1C[C@@H](O)[C@H](CNC(=O)CNC(C)=O)C1 1081206927 DIVKLFVTBWICJR-CHWSQXEVSA-N 311.382 -0.586 30 20 DBED CSCC(=O)N1C[C@H](CNC(=O)CSCC#N)[C@@H](O)C1 1081286212 ITXRYHBWVKCHOV-UWVGGRQHSA-N 317.436 -0.458 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)CSCC#N)C[C@@H]1O 1081441233 GCHAVMXJUMIYJI-STQMWFEESA-N 323.418 -0.018 30 20 DBED CC(C)(O)CC(=O)NC[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 1081448158 WWKZCVMUXHLRMF-OLZOCXBDSA-N 308.378 -0.504 30 20 DBED C#CCOCCC(=O)NC[C@H]1CN(C(=O)C(C)(C)F)C[C@@H]1O 1081486749 WMTTYCNRWNNBTQ-RYUDHWBXSA-N 314.357 -0.290 30 20 DBED C=C(C)CCC(=O)NC[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@@H]1O 1081533238 IJWFSFCDFBGSCU-NEPJUHHUSA-N 323.393 -0.456 30 20 DBED C=CC(C)(C)C(=O)NC[C@H]1CN(C(=O)CNC(C)=O)C[C@@H]1O 1081640835 RHNRFAZUOSJRJO-RYUDHWBXSA-N 311.382 -0.730 30 20 DBED C=CCC(CC=C)C(=O)N1C[C@H](CNC(=O)C(N)=O)[C@@H](O)C1 1081719005 LBLHRQIMJXZTBC-RYUDHWBXSA-N 309.366 -0.824 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)C[C@@H]1CCC(=O)N1C 1083161589 KBMYMMFZLSMIEE-MELADBBJSA-N 305.378 -0.458 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCc3nc(C)nn3C2)C1 1083662756 IIERIKZXMHYHDT-MCIONIFRSA-N 319.409 -0.114 30 20 DBED C=C(Br)CN1C[C@H](O)[C@H](NC(=O)c2nc[nH]n2)C1 1083874146 IMCOFNIPLMDDEW-SFYZADRCSA-N 316.159 -0.512 30 20 DBED Cc1cc(C(=O)N[C@@H]2CN(CC#N)C[C@@H]2O)c2cnn(C)c2n1 1083894769 WYUYCMZMTTVERH-OLZOCXBDSA-N 314.349 -0.425 30 20 DBED N#CCN1CC[C@@H]2CN(C(=O)CCN3C(=O)CCC3=O)[C@@H]2C1 1084498398 XXASCYRAIXLYMP-VXGBXAGGSA-N 304.350 -0.418 30 20 DBED N#CCN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCS(=O)(=O)N1 1085426345 CWMZJFMQYZIGEN-GMTAPVOTSA-N 300.384 -0.781 30 20 DBED C[C@H](C[C@@H](C)Nc1nccnc1C#N)NC(=O)CNC(N)=O 1089213924 DSOISBTWRACJPH-RKDXNWHRSA-N 305.342 -0.288 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2cncc3ncn(C)c23)[C@@H](O)C1 1090332662 BZQJAKSGRFDYIJ-OCCSQVGLSA-N 313.361 -0.234 30 20 DBED CCN(CC)CC(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@H]1O 1090430673 XFPURIGURBRSOY-UKRRQHHQSA-N 317.393 -0.039 30 20 DBED C#CCN1CC[C@H](NC(=O)c2c(OC)ccnc2O)[C@@H](O)C1 1090731789 WJCKQBGZHMINBB-QWRGUYRKSA-N 305.334 -0.406 30 20 DBED COCCCC(=O)N[C@@H]1CCN(c2ccc(C#N)nn2)C[C@H]1O 1092137920 PIYKKHSFSZHIIS-CHWSQXEVSA-N 319.365 -0.169 30 20 DBED N#CCN1CC(OC2CCN(C(=O)CCn3cncn3)CC2)C1 1093508540 XBOQYZIKISGZOM-UHFFFAOYSA-N 318.381 -0.116 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCNc1ncnc2c1nnn2C 1093572251 NYHXZQSAYKQXCZ-CYBMUJFWSA-N 305.342 -0.387 30 20 DBED CN1CC[C@@H](C(=O)NCCNc2nccnc2C#N)CC1=O 1094239260 MFLNOPFLRDFYST-SNVBAGLBSA-N 302.338 -0.255 30 20 DBED C#CCCN1CC(N2C[C@@H](NC(=O)Cc3ccc[nH]3)CC2=O)C1 1094816596 CVNWVCCVQFZSRU-AWEZNQCLSA-N 314.389 -0.018 30 20 DBED C[C@@H](CC(N)=O)C(=O)N1CC[C@@H](N(C)c2cnc(C#N)cn2)C1 1095151258 SYNLHMMDHYXTOV-CMPLNLGQSA-N 316.365 -0.103 30 20 DBED N#Cc1nccnc1N[C@H]1CCCN(C(=O)CCNC(N)=O)C1 1095296395 XXDUSEOLESCAKE-JTQLQIEISA-N 317.353 -0.190 30 20 DBED CN(CCCNC(=O)C[C@@H]1CCC(=O)N1)c1nccnc1C#N 1095591723 LKAIHXRPYGNVBR-NSHDSACASA-N 316.365 -0.041 30 20 DBED CNC(=O)NCC(=O)NCCCN(C)c1nc(C)cc(C#N)n1 1095763074 VAZWUCRTZIXDGQ-UHFFFAOYSA-N 319.369 -0.472 30 20 DBED CCN(CCCNC(=O)CC(=O)NC)c1cnc(C#N)cn1 1095863686 ABPCGXLQPYHOHC-UHFFFAOYSA-N 304.354 -0.183 30 20 DBED N#Cc1cncc(N2CCCC[C@@H]2CNC(=O)CNC(N)=O)n1 1097392549 GSCRGAAEDIAHGK-LLVKDONJSA-N 317.353 -0.508 30 20 DBED CCN1CCOC[C@H]1C(=O)NC[C@@H](C)Nc1nccnc1C#N 1098128349 DITWVMFVFGXIMA-YPMHNXCESA-N 318.381 -0.014 30 20 DBED C[C@H](C(=O)N1CCC(N(CC#N)CCO)CC1)S(C)(=O)=O 1098406194 JNYASSKTHXXUSS-LLVKDONJSA-N 317.411 -0.772 30 20 DBED C[C@@H](CC(N)=O)C(=O)NCC[C@@H](C)N=c1cc[nH]c(C#N)n1 1099617262 SNSHKFQQGBANCA-VHSXEESVSA-N 304.354 -0.412 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)CC(C)(C)C)[C@H](O)C1 1099671103 BZUIWACMWLJMRX-QWHCGFSZSA-N 309.410 -0.277 30 20 DBED COC[C@H](OC)C(=O)NCC[C@@H](C)N=c1cc[nH]c(C#N)n1 1099677171 PVRXWASCFPNFBA-MNOVXSKESA-N 307.354 -0.262 30 20 DBED C#CCCCC(=O)N[C@H]1CCN(CC(=O)NC(C)C)C[C@H]1O 1099806612 DIKIMJBZDYKTPZ-UONOGXRCSA-N 309.410 -0.134 30 20 DBED CCC1(C(=O)N[C@H]2CCN(CC(=O)NCC#N)C[C@@H]2O)CCC1 1099963979 DOJTZLWTZMPKMX-STQMWFEESA-N 322.409 -0.242 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)C2(C)CC(=C)C2)[C@H](O)C1 1099994221 MTLGWSCJKCIASS-UONOGXRCSA-N 319.405 -0.357 30 20 DBED C=CCN1CC[C@@H](NC(=O)C(C)(C)CS(C)(=O)=O)[C@@H](O)C1 1100137371 YNOHLDXQKXPZGG-NEPJUHHUSA-N 318.439 -0.205 30 20 DBED C=CCCOCC(=O)N[C@H]1CCN(CCOCCO)C[C@H]1O 1100139783 WOGRPDDUKJUDMC-UONOGXRCSA-N 316.398 -0.861 30 20 DBED CCN(CCNC(=O)c1ncn(C)n1)c1nccnc1C#N 1100512260 QFWHGKUHIVOUKE-UHFFFAOYSA-N 300.326 -0.267 30 20 DBED N#CCNC1CC(CNC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 1100765868 DYPSDXNTMZPSKI-UHFFFAOYSA-N 315.337 -0.921 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CN(C(=O)C#CC3CC3)C[C@]2(C)C1 1101226791 FNHOOXUHDZHTTO-QAPCUYQASA-N 313.401 -0.071 30 20 DBED CC(=O)N[C@@H](C)C(=O)N[C@H]1CC2(CN(CC#N)C2)n2ccnc21 1101603925 ISMZKYVFIFRCNP-JQWIXIFHSA-N 316.365 -0.497 30 20 DBED C=CCCN1CC2(C[C@H](NC(=O)CC(N)=O)c3nccn32)C1 1101620927 VLMNINPHYMJNQA-NSHDSACASA-N 303.366 -0.094 30 20 DBED CC[C@@H](CNC(=O)[C@@H]1CCC(=O)N1)Nc1cnc(C#N)cn1 1103144254 RUFQZEPQKIACJO-ONGXEEELSA-N 302.338 -0.066 30 20 DBED C[C@H](CNC(=O)CC(=O)N(C)C)CNc1cncc(C#N)n1 1104229517 MYJCBOBCQJTSBX-JTQLQIEISA-N 304.354 -0.009 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)C[C@@H]2CCOC2)nn1 1105759470 MTDPRRGYQLTXBE-JQWIXIFHSA-N 305.338 -0.336 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](O)CNC(=O)[C@@H]2CCN(C)C2)n1 1105852889 BQQPBFPEUYHRBD-YPMHNXCESA-N 318.381 -0.503 30 20 DBED Cn1ccc(C(=O)NC[C@@H](O)CNc2nccnc2C#N)n1 1105856018 MCNVSKSTENKQPU-VIFPVBQESA-N 301.310 -0.715 30 20 DBED Cc1cc(=NC[C@@H](O)CNC(=O)c2cnon2)c(C#N)c[nH]1 1105927581 BCQHXEWIKJWMHL-SNVBAGLBSA-N 302.294 -0.731 30 20 DBED CN(C)C(=O)CC(=O)NC[C@H](O)CNc1ncc(C#N)cc1F 1106132455 AVPUVINGPPJZBZ-JTQLQIEISA-N 323.328 -0.540 30 20 DBED C[C@@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)[C@@H]1COCCO1 1106233880 OWBDGPMOQLOSTP-QWRGUYRKSA-N 305.338 -0.508 30 20 DBED Cc1cc(=NCC[C@H](C)NC(=O)[C@@H]2CNC(=O)N2)c(C#N)c[nH]1 1106544329 ZGECUHMMWAYODI-ZANVPECISA-N 316.365 -0.328 30 20 DBED CC[C@H](NC(C)=O)C(=O)N[C@H](C)CCN=c1cc[nH]c(C#N)n1 1106581670 BFQWOKOVRYCSEI-PWSUYJOCSA-N 318.381 -0.008 30 20 DBED CC#CCN1CCO[C@@](C)(CNC(=O)[C@@H]2COCCN2C)C1 1107882745 BLDGKKIPJSCPLS-HOCLYGCPSA-N 309.410 -0.453 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)[C@H](C3CC3)N(C)C)CC2=O)C1 1108551767 FQXWBKJQIIHZSE-CJNGLKHVSA-N 320.437 -0.086 30 20 DBED C[C@@H](CNc1cnc(C#N)cn1)NC(=O)CN1CCCNC1=O 1108788737 MUPOLJOUVOGUEL-JTQLQIEISA-N 317.353 -0.320 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1ccn(C)n1 1110102160 VLSJBYYRACDNAY-XBFCOCLRSA-N 315.377 -0.495 30 20 DBED CN1CCOC[C@H]1C(=O)NCC1(Nc2cncc(C#N)n2)CC1 1110110449 PKGDVYALSZAIEO-LBPRGKRZSA-N 316.365 -0.260 30 20 DBED C[C@]1(NC(=O)Cn2ncnn2)CCN(c2cncc(C#N)n2)C1 1110786061 MLNWSJYAVWDTCP-ZDUSSCGKSA-N 313.325 -0.880 30 20 DBED C[C@H](CC(N)=O)C(=O)N[C@@]1(C)CCN(c2cncc(C#N)n2)C1 1110802725 UFUDDOXMNQNBRG-BMIGLBTASA-N 316.365 -0.055 30 20 DBED CCCOCC(=O)NC[C@@]1(O)CCN(c2ccnc(C#N)n2)C1 1111037423 BHBDZRQNGYIJFB-HNNXBMFYSA-N 319.365 -0.168 30 20 DBED N#Cc1c[nH]ccc1=NCCN(CCO)C(=O)C1=COCCO1 1111424905 VDZMMLNGCGRFEX-UHFFFAOYSA-N 318.333 -0.504 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(CC(=O)NC[C@H]2CCCO2)CC1 1112711819 TXBCBIWFDNFHSC-QWHCGFSZSA-N 308.382 -0.415 30 20 DBED Cc1cnccc1CC(=O)N1CCN(CC(=O)NCC#N)CC1 1112856780 RUMAYGCHPVJHCX-UHFFFAOYSA-N 315.377 -0.284 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)Cc2cncs2)CC1 1112990019 VRWRBHWEJFYXGZ-LBPRGKRZSA-N 320.418 -0.032 30 20 DBED C#CCCN1CCN(C(=O)[C@@H](NS(C)(=O)=O)C(C)C)CC1 1113415048 GTRPKWLKFJKWKA-ZDUSSCGKSA-N 315.439 -0.272 30 20 DBED COCC#CCN1CCN(C(=O)[C@H]2CCCCN2C(N)=O)CC1 1113520161 OYWLQVZLXCDOGC-CQSZACIVSA-N 322.409 -0.286 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H](C)N(C)c1nc(C)ns1 1113566928 FERARIWNBCZPEU-VIFPVBQESA-N 309.395 -0.073 30 20 DBED C[C@H](CNC(=O)C[C@H]1CCC(=O)N1)N(C)c1ccnc(C#N)n1 1113651830 KLKRGKVACVKJEE-GHMZBOCLSA-N 316.365 -0.042 30 20 DBED COCC#CCN1CCN(C(=O)COC[C@@H]2CCCO2)CC1 1113739150 SUTWNFDHKOUZNE-HNNXBMFYSA-N 310.394 -0.024 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)Cn3cc(C)cn3)[C@@H]2C1 1113952854 KNEFELUXCPVYTJ-ZIAGYGMSSA-N 302.378 -0.112 30 20 DBED CS[C@H](C)CC(=O)NC1[C@H]2CN(CC(=O)NCC#N)C[C@H]12 1114156658 ZYZNNCZRZGWECT-VWYCJHECSA-N 310.423 -0.186 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1[C@@H]2CN(Cc3cc(C)no3)C[C@@H]21 1114158475 XVBXKNBRUXIAOM-VIKVFOODSA-N 316.361 -0.331 30 20 DBED C#CCOCCC(=O)NC1[C@@H]2CN([C@H](C)C(=O)NC3CC3)C[C@@H]12 1114262273 AXTISEXRKTUUMT-MRVWCRGKSA-N 319.405 -0.260 30 20 DBED C#CCOCCC(=O)NC1[C@@H]2CN(Cc3n[nH]c(C)n3)C[C@@H]12 1114268035 DRYOZLBKDGIWKT-VXGBXAGGSA-N 303.366 -0.301 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)C3(CN(C)C)CC3)[C@H]2C1 1114743849 RMLOIVZQSNICCU-STQMWFEESA-N 320.437 -0.323 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)Cc3ccc[nH]3)[C@@H]2C1 1115270161 VBYIWBRSPFTRRN-CHWSQXEVSA-N 302.378 -0.094 30 20 DBED C[C@H](CN(C)C(=O)[C@H]1COCCN1C)Nc1cncc(C#N)n1 1115682080 GQOITGZRRROUKN-DGCLKSJQSA-N 318.381 -0.062 30 20 DBED C=CC[C@@H](C)NC(=O)C(=O)Nc1cnn(CC(=O)N(C)C)c1 1116249958 CHBRXBSRTJBADZ-SNVBAGLBSA-N 307.354 -0.009 30 20 DBED N#C[C@]1(F)CCN(C(=O)C(=O)N[C@H]2CCN(CC(F)F)C2)C1 1118117685 LFPTVCXTEWKTON-TVQRCGJNSA-N 318.299 -0.094 30 20 DBED C=CCO[C@H]1CCN(S(=O)(=O)CCn2nc(C)oc2=O)C1 1119609203 JVBBXTYUASQZJY-NSHDSACASA-N 317.367 -0.249 30 20 DBED Cc1cc(C(=O)NC[C@@H](CO)N=c2cc[nH]c(C#N)n2)nn1C 1121151057 UEJJHUVHRHVZEF-JTQLQIEISA-N 315.337 -0.985 30 20 DBED C=CCn1c([C@H](O)COC)nnc1N1CCN2C(=O)NC[C@H]2C1 1121732582 OZAVSTRDLVSSFW-WDEREUQCSA-N 322.369 -0.642 30 20 DBED N#Cc1ccc(C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)[nH]1 1122413431 ONFLZWYHYREMHV-JTQLQIEISA-N 320.330 -0.534 30 20 DBED Cc1cc(=NC[C@@H](O)CN(C)C(=O)c2cc[nH]n2)c(C#N)c[nH]1 1124046671 PEGYKLLNDDDOEU-GFCCVEGCSA-N 314.349 -0.048 30 20 DBED CN1CC[C@H](C(=O)N(C)C[C@@H](O)CNc2cnc(C#N)cn2)C1 1124351888 JBYZLUAGCISCJY-AAEUAGOBSA-N 318.381 -0.469 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@@H]1CCCc2c[nH]nc21 1127333979 PJMRHDUMBZGJCJ-GFCCVEGCSA-N 303.366 -0.715 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CCCO[C@H]1C=C 1127609016 MDKUBKVHENTMMK-MJBXVCDLSA-N 307.394 -0.189 30 20 DBED COC(=O)NCC(=O)NCc1c[nH]nc1[C@@H]1CCN(CC#N)C1 1130348809 WQFIXUQQNKVXSE-SNVBAGLBSA-N 320.353 -0.305 30 20 DBED C#CCCN[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1c1cn(C)cn1 1130541583 GJEBLNOETGDNRT-WCQYABFASA-N 303.366 -0.797 30 20 DBED C=CCNC(=O)CN1C[C@H]2C[C@H]3CN(C(=O)COC)C[C@@]3(C1)O2 1131164709 SFJZGKZTEIEMPF-WOSRLPQWSA-N 323.393 -0.763 30 20 DBED C#CCN1C[C@@H](NC(=O)CS(=O)(=O)CCOC)CC[C@H]1C 1132141739 UFTKQLKRJVUAIE-OLZOCXBDSA-N 316.423 -0.350 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CCc2cccnc21 1132983588 DBXZBXYNQCPCHB-TZMCWYRMSA-N 314.389 -0.045 30 20 DBED Cc1cc(C(=O)N[C@H](C)C[C@H](C)NCC(=O)NCC#N)n(C)n1 1133880525 KJBJNDZNJNIEMI-WDEREUQCSA-N 320.397 -0.145 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NCCN[C@@H]1CCN(C)C1=O 1134817125 NYUDQHFKTBSYPR-OLZOCXBDSA-N 310.398 -0.606 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)C(C)(C)c1cnn(C)c1 1136112971 ACSDOWXHAIGIKK-LBPRGKRZSA-N 319.409 -0.459 30 20 DBED CNS(=O)(=O)CC(=O)N[C@@H](C)C[C@@H](C)NCC#CCOC 1146466337 UUHPJBYJTOMRSJ-NEPJUHHUSA-N 319.427 -0.942 30 20 DBED C#CCO[C@H](C)C(=O)N1CC2(CCN(CC(=O)NCC#N)C2)C1 1147530679 PJYWQOYTKAGVIU-CYBMUJFWSA-N 318.377 -0.801 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)CN2CCCC2=O)C1=O 1154498206 ASYKZQRFDAFTIK-ZDUSSCGKSA-N 322.409 -0.508 30 20 DBED C=C(Br)CNCCCNC(=O)Cn1cnnn1 1154499609 QHSQVFBFWJETOD-UHFFFAOYSA-N 303.164 -0.322 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)Cc2cnn(C)c2)C1=O 1155565039 XMJCGTHYFSJREA-CQSZACIVSA-N 319.409 -0.155 30 20 DBED C=C(C)[C@H](CC(=O)NCCCNCC(=O)NC(N)=O)OCC 1159149001 QWHKGIXDRGAPHU-NSHDSACASA-N 314.386 -0.352 30 20 DBED C=CCn1cccc1C(=O)NCCCN[C@@H](C)C(=O)NC(N)=O 1159988396 ZSGZJJLXCPUACN-NSHDSACASA-N 321.381 -0.033 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)[C@]1(C)CCNC(=O)C1 1160897068 MHZMWIVVKZOIFU-MLGOLLRUSA-N 322.409 -0.864 30 20 DBED N#CCNC(=O)CNCCCNC(=O)[C@H]1CCC[C@H](C(N)=O)C1 1167503651 BTFXDVKSOIOFJV-RYUDHWBXSA-N 323.397 -0.986 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@@H]1CCc2nc[nH]c2C1 1170431239 IZEMLXNFRXEISM-GFCCVEGCSA-N 319.409 -0.087 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@H](C)c1cnn(C)c1 1177673189 VOAAGXWTVCEQIS-GFCCVEGCSA-N 307.398 -0.078 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)[C@H](C)n2cccn2)[C@H]1C 1178160911 SNBDTRCPHNOYLR-IHRRRGAJSA-N 317.393 -0.228 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC[C@H](NCCOCCO)[C@@H]1C 1178572373 FSTXWIJWBBVPKX-YDHLFZDLSA-N 300.399 -0.099 30 20 DBED C#CCCN[C@H]1CCN(C(=O)CCNS(C)(=O)=O)[C@H]1C 1178831936 DBQFBLKLBSTIAO-RYUDHWBXSA-N 301.412 -0.472 30 20 DBED CC(=O)N1CCOC[C@@H]1C(=O)N1C[C@@H](C)[C@](C)(CNCC#N)C1 1183466108 ZLXYDKODNLQSPR-XNRPHZJLSA-N 322.409 -0.169 30 20 DBED C[C@H]1CN(C(=O)C(=O)NCC(F)F)CC[C@@H]1CNCC#N 1184701320 KHHSELJMWXJPGS-VHSXEESVSA-N 302.325 -0.035 30 20 DBED CN(CC(=O)NCC#N)[C@@H]1CCN(C(=O)c2cccnc2)C1 1188641940 MATFAUNBMOXXEB-CYBMUJFWSA-N 301.350 -0.132 30 20 DBED CN(CC(=O)NCC#N)[C@@H]1CCN(C(=O)[C@H]2CCCCN2C)C1 1190947572 QRXTYCHRBBVUAR-ZIAGYGMSSA-N 321.425 -0.357 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)CNC(=O)CCC)C1 1191465554 AQPRDMCTWBLDGL-GHMZBOCLSA-N 303.790 -0.184 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CN(Cc2ccnc(N(C)C)c2)C[C@H]1O 1191854745 QZINLWCHDCYVOE-IACUBPJLSA-N 317.393 -0.031 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2conc2CC)C[C@H]1O 1192891917 RYBSYXQVCCVFLS-KCPJHIHWSA-N 321.377 -0.063 30 20 DBED CC#CCN(C)[C@@H]1CCN(C(=O)CN2C(=O)NC(C)(C)C2=O)C1 1193824763 JOFRLZMTDUSAEY-GFCCVEGCSA-N 320.393 -0.127 30 20 DBED C=CCC1(C(=O)N[C@@H]2CN(Cc3nnn(C)n3)C[C@H]2O)CCC1 1195897162 RKPOBFOUNUSOIO-VXGBXAGGSA-N 320.397 -0.382 30 20 DBED C=CCCCN1CCCN(C(=O)CNS(=O)(=O)NC)CC1 1196647904 DELUCQAYCLBKDW-UHFFFAOYSA-N 318.443 -0.459 30 20 DBED C[C@@]1(C(=O)N2CCCN(CC(=O)NCC#N)CC2)CCOC1 1197555750 RLSNEJJIXHEIKF-OAHLLOKOSA-N 308.382 -0.413 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CN(CC(=O)NCCC)C[C@H]1O 1199312999 IUVOXZGLXOQCAV-YNEHKIRRSA-N 313.398 -0.735 30 20 DBED C#CCNC(=O)[C@H](C)NC1CCN(C(=O)CNC(=O)CC)CC1 1199848376 WQMPUXIKWDDMRD-LBPRGKRZSA-N 322.409 -0.769 30 20 DBED COCC#CCNC[C@H]1CN(C(=O)[C@H]2CCOC2)CCCO1 1200019010 CWOSVRAYOKXQGY-GJZGRUSLSA-N 310.394 -0.120 30 20 DBED COCC#CCNC[C@H]1CN(C(=O)[C@@H]2CCCN2C)CCCO1 1200123018 KHZVGKSRHHXUOB-HOTGVXAUSA-N 323.437 -0.063 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)CN2C(=O)CCC2=O)CCCO1 1202022053 SLCSNJNSHMTDMD-CYBMUJFWSA-N 321.377 -0.634 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CN(CCCN2C(=O)CNC2=O)C[C@H]1C 1206659273 HXNMMMPTTZUQEW-IJLUTSLNSA-N 321.381 -0.476 30 20 DBED C[C@@H]1CN(CCN2CCNC2=O)C[C@H]1NC(=O)C#CC1CC1 1206952006 TYLJEDXNAIUVLD-TZMCWYRMSA-N 304.394 -0.139 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)CCn2ccnn2)C1 1207898140 LBFGLHMJXYGMOS-ZDUSSCGKSA-N 320.397 -0.449 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)c2cnn(CC)n2)C1 1207979193 KOANIFPXWORQLB-LBPRGKRZSA-N 320.397 -0.206 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)[C@@]2(F)CCOC2)C1 1209243038 SUXHGHSOLUKHES-SWLSCSKDSA-N 311.357 -0.555 30 20 DBED C=C(C)CN[C@H]1CCCN(C(=O)[C@H](CCC(N)=O)NC(C)=O)C1 1210154401 KYVITNRSVPUPCB-KBPBESRZSA-N 324.425 -0.087 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)Cc2cnoc2)C[C@H]1C 1215383462 WTARSWLVWFESPX-DGCLKSJQSA-N 306.366 -0.044 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H](CC)NC(C)=O)C[C@H]1C 1215617071 ORARYJPFPAFPRK-MRVWCRGKSA-N 322.409 -0.913 30 20 DBED C[C@@H]1CN(C(=O)C23CCN(CC2)C3)C[C@H]1NCC(=O)NCC#N 1216405746 RLJPAGPDWSNJOF-CHWSQXEVSA-N 319.409 -0.842 30 20 DBED CC#CCN[C@@H]1CN(C(=O)CCS(=O)(=O)N(C)C)C[C@H]1C 1216824973 TWWOLURRVCBFNJ-CHWSQXEVSA-N 315.439 -0.272 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)c2ccoc2)C1 1219179008 XWJMUWGGZTYHHS-RTXFEEFZSA-N 307.350 -0.255 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2oc(C)nc2C)C[C@@H]1O 1219604969 FIYVUUUGNGENTE-YUTCNCBUSA-N 321.377 -0.009 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2coc(C)n2)C[C@@H]1O 1219605459 SKFRTWILENBLLG-HONMWMINSA-N 307.350 -0.317 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C(CC=C)CC=C)C1 1219689629 BBQXCIFMVPJPLK-CABCVRRESA-N 319.405 -0.335 30 20 DBED C=CCCCN1C[C@H](O)[C@H](NC(=O)c2cc(C(N)=O)c[nH]2)C1 1220611745 DXCDVJWQDOSWMM-OLZOCXBDSA-N 306.366 -0.145 30 20 DBED CN1CC[C@H](CC(=O)NC2CCN(CC(=O)NCC#N)CC2)C1 1230035818 XGVYABBOGIUPEK-CYBMUJFWSA-N 321.425 -0.451 30 20 DBED C#CCCN1CCS(=O)(=O)[C@@H](CCNC(=O)c2cn[nH]c2)C1 1230426141 VOJQUBDLAIHTIC-ZDUSSCGKSA-N 324.406 -0.348 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)Cc1ccnn1C 1233967351 ZKVQMRHXUCOTDM-AWEZNQCLSA-N 317.393 -0.755 30 20 DBED COC[C@@H]1CN(C(=O)C(=O)Nc2ccn(CCC#N)n2)CCO1 1319535617 CQYNIYQOYBSYKR-NSHDSACASA-N 321.337 -0.391 30 20 DBED C=CCN(CC=C)C(=O)C(=O)Nc1ncn(CC(=O)N(C)C)n1 1320001464 DCJBXEVJTNPIAK-UHFFFAOYSA-N 320.353 -0.495 30 20 DBED C=CCS(=O)(=O)CCNC(=O)Cn1cc([C@H](C)O)nn1 1320304850 JQQRFIQNFQQSDX-VIFPVBQESA-N 302.356 -0.952 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCOC(C)(C)C1 1323726609 LPMRDXCDLPUONJ-UHFFFAOYSA-N 318.395 -0.659 30 20 DBED C[C@H](NC(=O)C(=O)Nc1ccc(C#N)cn1)C(=O)NCCF 1324239506 HUNVNZSLELAAPY-QMMMGPOBSA-N 307.285 -0.518 30 20 DBED C=CCN(C(=O)C(=O)NCCCS(C)(=O)=O)[C@H](C)COC 1327900011 FAPZOECVMRFHMX-LLVKDONJSA-N 320.411 -0.413 30 20 DBED CNCCCc1[nH]nc(NC(=O)C2(n3cnnn3)CC2)c1C#N 1328906077 RKHDBIYDEQUZKZ-UHFFFAOYSA-N 315.341 -0.452 30 20 DBED CN(CC(=O)N1CCCC1)C(=O)C(=O)N1CC[C@](F)(C#N)C1 1329706280 ZXAIKURJNZNNDF-AWEZNQCLSA-N 310.329 -0.469 30 20 DBED CNC[C@H](C)NC(=O)C(=O)N1CC(Oc2ccc(C#N)cc2)C1 1329863268 SRUSYQZAVSQENT-NSHDSACASA-N 316.361 -0.128 30 20 DBED CS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NCC2(CC#N)CC2)C1 1330224252 NLFDRZMWFSZFHM-JTQLQIEISA-N 313.379 -0.558 30 20 DBED CCn1cc([C@H]2C[S@@](=O)CCN2C(=O)NCC#CCO)cn1 1332333420 BFWKECQJVWOMAQ-DMZKTXOQSA-N 324.406 -0.286 30 20 DBED C=CCNC(=O)Cn1nnnc1N(C)Cc1cnn(CC)c1 1334166497 PVOYFTUHLRCCQM-UHFFFAOYSA-N 304.358 -0.172 30 20 DBED C=CCNC(=O)Cn1nnnc1N1CCO[C@@H](COC(C)C)C1 1335814190 OQFWIKZALPYFGS-GFCCVEGCSA-N 324.385 -0.395 30 20 DBED CN(CC(C)(C)C#N)C(=O)C(=O)N1CCN([C@H]2CCOC2)CC1 1347014373 HGUQWDUIRSHKDP-ZDUSSCGKSA-N 322.409 -0.072 30 20 DBED C=C[C@H](CO)NC(=O)[C@@H]1CCCCN1C(=O)c1ccc(O)nn1 1347877094 JCBSHKAWSZNTGF-PWSUYJOCSA-N 320.349 -0.160 30 20 DBED C#CCOCCn1nnnc1N1CCC(O)(C(F)F)CC1 1355799561 FRSZTSRCFSNIDL-UHFFFAOYSA-N 301.297 -0.081 30 20 DBED CC(C)NC(=O)NC(=O)[C@H](C)N1CC(NC(=O)[C@H](C)C#N)C1 1377872212 LZIBEOVJJJQGGS-ZJUUUORDSA-N 309.370 -0.431 30 20 DBED CC(=O)NCC(=O)N[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)[C@H]1C 1395827864 GZNRAGWPFPQLLX-CABZTGNLSA-N 317.349 -0.258 30 20 DBED Cc1nn[nH]c1C(=O)NCCN1CCN(C(=O)[C@@H](C)C#N)CC1 1396894613 XZLBWIOWGFSVLQ-JTQLQIEISA-N 319.369 -0.853 30 20 DBED CCC(=O)NCC(=O)NCC1(NC(=O)c2ccc(C#N)[nH]2)CC1 1400545779 VYJYYNZSXAKCOK-UHFFFAOYSA-N 317.349 -0.209 30 20 DBED CC(=O)NCC(=O)N(C)C[C@@H](O)CNCc1ccccc1C#N 1403831617 MLBGKGVCAPHBRB-HNNXBMFYSA-N 318.377 -0.397 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H](CNC(=O)CN1CCOCC1=O)C1CC1 1407647896 OZVPASILQJOGDB-JQWIXIFHSA-N 322.365 -0.984 30 20 DBED C[C@H](C#N)C(=O)NCC[C@H]1CCCCN1C(=O)Cn1ncnn1 1409804256 CNLXQNVKCFZQBT-VXGBXAGGSA-N 319.369 -0.280 30 20 DBED CNC(=O)NCCC(=O)N[C@H](C)C1CN(C(=O)[C@H](C)C#N)C1 1411933858 IDELSZQRYZGCET-NXEZZACHSA-N 309.370 -0.572 30 20 DBED COC(=O)NCC(=O)N(C)C1CCN(C(=O)[C@H](C)C#N)CC1 1412290567 OQVGWDBAVYAAOB-SNVBAGLBSA-N 310.354 -0.049 30 20 DBED CCOC(=O)[C@@H](C)NC(=O)CCn1cc(C#N)c(O)nc1=O 1412451826 GRKAEPZPCCJMQR-MRVPVSSYSA-N 308.294 -0.722 30 20 DBED N#Cc1cn(CCC(=O)N2CCOCC23CCC3)c(=O)nc1O 1412719393 DSNCUTQVXQMXBL-UHFFFAOYSA-N 318.333 -0.008 30 20 DBED N#Cc1cnn2c(O)cc(CN3CC[C@@H](CO)[C@H](O)C3)nc12 1412975952 FQDKGNLQZXVJTM-JOYOIKCWSA-N 303.322 -0.518 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H](CNC(=O)CCS(C)(=O)=O)C1CC1 1430002114 FKWSRGYBNNFIOU-ONGXEEELSA-N 315.395 -0.408 30 20 DBED CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)Nc1n[nH]cc1C#N 1452036633 WWIBLWLOUPLVGX-SNVBAGLBSA-N 304.310 -0.653 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@@H](O)CNC(=O)[C@H]2CCCCO2)c1 1452336796 UABZZNFHKROGEA-DGCLKSJQSA-N 320.349 -0.338 30 20 DBED CC(C)(C)OCC(=O)NC[C@H](O)CNC(=O)c1cc(C#N)c[nH]1 1457968731 TXACKYDUNUBCIN-NSHDSACASA-N 322.365 -0.092 30 20 DBED C=C(C)CCN[C@H](CO)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 1573293816 KFPJSLKJOMUVNR-NSHDSACASA-N 319.369 -0.159 30 20 DBED C=C[C@H](O)C(=O)Nc1ccccc1-n1cnc(-c2nn[nH]n2)n1 1573315725 OHENDNMNPQPYFO-JTQLQIEISA-N 312.293 -0.067 30 20 DBED C[C@]1(C#N)CN(S(=O)(=O)N2CCN(C(=O)O)CC2)CCO1 1573590869 YIMUDGRPJGSAKO-NSHDSACASA-N 318.355 -0.859 30 20 DBED N#Cc1nc(N2CCC[C@@H](CO)[C@H]2CO)cnc1-c1nn[nH]n1 1581879341 HCWYTANKEHOWCT-WCBMZHEXSA-N 316.325 -0.902 30 20 DBED C=C(C)C[C@@H](NC(=O)CN1CCN(CC)C(=O)C1=O)C(=O)O 1588542513 JPBWTEUYKXDSDD-SNVBAGLBSA-N 311.338 -0.787 30 20 DBED C=C(C)C[C@H](NS(=O)(=O)N1CCO[C@@H](C#N)C1)C(=O)O 1588555755 RJBRJCKGNILRDE-UWVGGRQHSA-N 303.340 -0.535 30 20 DBED C=CCCC[C@@H](NC(=O)C1(CS(C)(=O)=O)COC1)C(=O)O 1588789340 BDHSAZNGAXMWDJ-SNVBAGLBSA-N 319.379 -0.027 30 20 DBED C=CCOCCCNC(=O)C(=O)N1CCO[C@@H](CC(=O)O)C1 1588866787 QFPONBXHDFJEJY-NSHDSACASA-N 314.338 -0.603 30 20 DBED CCN(C[C@@H](C)C#N)C(=O)C(=O)Nc1ccn(CC(=O)O)n1 1589719765 ITGJOOQGSWZZDD-VIFPVBQESA-N 307.310 -0.086 30 20 DBED Cn1cc([C@@H](CO)Nc2cnc(-c3nn[nH]n3)c(C#N)n2)cn1 1592566121 CWBJQXHTOOYBSD-SECBINFHSA-N 312.297 -0.593 30 20 DBED N#CCN1C[C@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C[C@H]2C1 1592678183 RHCWXERXIPSYFU-PHIMTYICSA-N 312.337 -0.278 30 20 DBED N#Cc1cn(C2CN(C(=O)C3(C(=O)O)CCC3)C2)c(=O)nc1O 1594631481 HCWQJIFMDXLNOX-UHFFFAOYSA-N 318.289 -0.541 30 20 DBED COCC#CCN1C[C@H](C(=O)O)N(CC#CCOC)C[C@@H]1C 1599138198 KMPCWWHAWGHACL-LSDHHAIUSA-N 308.378 -0.255 30 20 DBED CN(CC(C)(C)C#N)C(=O)C(=O)N1C[C@@H](C(=O)O)C[C@@H](O)C1 1606088953 SSOUPGHVVKFCIN-VHSXEESVSA-N 311.338 -0.711 30 20 DBED N#CCN(CC(=O)O)S(=O)(=O)c1cnn([C@H]2CCOC2)c1 1608184240 VBZMGEACZCZMMK-VIFPVBQESA-N 314.323 -0.557 30 20 DBED CNC(=O)[C@H]1CCCN(C(=O)NCCn2cnc(C#N)n2)C1 1645783307 OWTXMCULIWBSAL-JTQLQIEISA-N 305.342 -0.683 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCN1CCN(C[C@H](C)O)CC1 1752366059 QGJVMRBIAPMQEN-HOTGVXAUSA-N 322.453 -0.801 30 20 DBED N#CCNC(=O)CNC1CCC(NC(=O)[C@@]23COC[C@@H]2C3)CC1 1752849895 BMEJNWRHILYLCG-ITDKRANNSA-N 320.393 -0.320 30 20 DBED C#CCNC(=O)CN[C@@H](C)CNC(=O)c1cnn(CCC)c1 1752904940 ASQSYOBMOUIIOY-LBPRGKRZSA-N 305.382 -0.250 30 20 DBED CNC(=O)c1ccc(C(=O)NC[C@@H](C)NCC#CCOC)cn1 1752913666 LPYJUKBLCDMMOO-GFCCVEGCSA-N 318.377 -0.201 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H]1CN(Cc2cnn(C)n2)CCO1 1753648241 BXKMPOXDFFRKKM-JSGCOSHPSA-N 321.381 -0.830 30 20 DBED C=CCNC(=O)CN1CCO[C@@H](CNC(=O)c2cn(C)cn2)C1 1753650349 RDWQHHHYLKSRKS-LBPRGKRZSA-N 321.381 -0.847 30 20 DBED C#CCNC(=O)CNC[C@H](C)NC(=O)c1cnc2nccn2c1 1754275844 PUOGSOJAIVBWHT-NSHDSACASA-N 314.349 -0.813 30 20 DBED C=CCOCCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1ccc(=O)n(C)n1 1754430983 XVXVITWHBINCLM-OSAQELSMSA-N 318.377 -0.215 30 20 DBED C=CCNC(=O)CN1CC[C@@H]1CNC(=O)Cn1nccc1C 1754496937 YRMAZJLGGBOCMH-CYBMUJFWSA-N 305.382 -0.316 30 20 DBED CC#CCN[C@@H]1CCN(C(=O)c2nnc(O)nc2O)[C@@H](C)C1 1754596347 FJPNAUWNWVDMMR-VHSXEESVSA-N 305.338 -0.111 30 20 DBED N#CCNC[C@@H]1CN(C(=O)CN2CCCCCC2=O)CCO1 1755015398 DVDRPKVRIRVGHF-CYBMUJFWSA-N 308.382 -0.270 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)Cc2cc[nH]n2)C[C@H]1C 1755168962 IZRVJDMFERZHIG-CHWSQXEVSA-N 317.393 -0.329 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(CNC(=O)Cc3ccc[nH]3)[C@H]2C1 1755435762 KYPRWDNTASISFL-HUUCEWRRSA-N 314.389 -0.399 30 20 DBED C#CCCCC(=O)N[C@H]1C[C@H](CN[C@@H](C)C(=O)NC(N)=O)C1 1755470251 RDFLPSPPPLHZPO-SRVKXCTJSA-N 308.382 -0.142 30 20 DBED C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](CNCC(=O)NCC#N)C2)CCN1C 1755472324 YCMHUAAHGISWJY-AAVRWANBSA-N 321.425 -0.549 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@@H](O)CN(C)C(=O)c1ccccn1 1755771691 QLKBADXDFININJ-QWHCGFSZSA-N 318.377 -0.758 30 20 DBED CC(C)(C)[C@H](CNCC(=O)NCC#N)NC(=O)c1ccnnc1 1755833300 HZDIYNFBEQBGDO-LBPRGKRZSA-N 318.381 -0.150 30 20 DBED CN(C(=O)Cc1cscn1)C1CC(NCC(=O)NCC#N)C1 1755862813 YKKVWRPPYRCJMI-UHFFFAOYSA-N 321.406 -0.096 30 20 DBED CC(C)C#CC(=O)NC[C@@H](CO)NC(=O)CN1CCCCC1=O 1756518481 ZNVYIQKPVMEQNH-ZDUSSCGKSA-N 323.393 -0.748 30 20 DBED COc1nc(C(=O)N(C)C[C@@H](O)CNC(=O)C#CC(C)C)co1 1756670799 MLJIAMGZFWCZRE-NSHDSACASA-N 323.349 -0.108 30 20 DBED C=C[C@@](C)(O)CC(=O)N1C[C@@H](O)[C@H](NC(=O)C#CC(C)C)C1 1756993784 OIDRAQRUFYGPSC-XJKCOSOUSA-N 308.378 -0.339 30 20 DBED CC#CCCCC(=O)N[C@H]1C[C@@H](CNC(=O)[C@H]2CNC(=O)N2)C1 1757329607 ZJKNWOZTUIXYIQ-FRRDWIJNSA-N 320.393 -0.128 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H]1CCN(C(=O)Cn2cncn2)[C@@H]1C 1757511649 FTJWGOCEEBXEAK-AGIUHOORSA-N 319.365 -0.578 30 20 DBED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)N(C)CC)C2)C1 1782620823 VOUBAQWSQXJTGV-CJNGLKHVSA-N 307.394 -0.210 30 20 DBED N#CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccon1)C2 1795078034 LCMJAWXQTMNEAI-DDFAGTSDSA-N 304.306 -0.209 30 20 DBED N#CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCCOC1 1802073329 YLXJHRBKMHLVHH-GUIRCDHDSA-N 321.377 -0.084 30 20 DBED N#CCCC(=O)N1CC2(CCCN2C(=O)CN2CCNC2=N)C1 1842908591 HVEOQGODGQYRGW-UHFFFAOYSA-N 318.381 -0.666 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)NCCN2CCOCC2)cc1 66452701 KETKPOMHPHGCJI-UHFFFAOYSA-N 316.361 -0.264 30 20 DBED C/N=C(/NCC1(O)CCC1)N[C@H]1CCc2nc(COC)nn2C1 261948363 GPRDFVSRJBYZIW-NSHDSACASA-N 322.413 -0.181 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)Cn2cccn2)CC1 264111454 DCCNLYBLNQXEGC-UHFFFAOYSA-N 303.366 -0.833 30 20 DBED COC(=O)CC[C@H](NS(=O)(=O)CC1(C#N)CC1)C(=O)O 275316872 RUYMPESROZNATR-QMMMGPOBSA-N 304.324 -0.384 30 20 DBED CCOc1ccc(C#N)cc1NC(=O)C(=O)N1C[C@@H](O)[C@H](O)C1 277632131 XGAGTJGHUPYBAX-VXGBXAGGSA-N 319.317 -0.541 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@H](OC)C[C@@H]2C)C1=O 281688690 FTDUNLZTBOAAKI-QWRGUYRKSA-N 323.349 -0.011 30 20 DBED C=CCCOCCNC(=O)C(=O)N1CCn2cnnc2[C@H]1C 289392539 LZJQWUQAJMGHHK-LLVKDONJSA-N 307.354 -0.110 30 20 DBED CCCc1nnc(SCC(=O)N2CCN(CC#N)CC2)n1N 291747371 DMFHTSSFBQIWTJ-UHFFFAOYSA-N 323.426 -0.296 30 20 DBED CN1CCO[C@H](/C(O)=N/[C@@H]2CCCN(S(C)(=O)=O)C2)C1 329733180 JKKOZFNQWWIEDT-MNOVXSKESA-N 305.400 -0.303 30 20 DBED N#C[C@H]1CN(C(=O)NC[C@@H]2CCCCS2(=O)=O)CCO1 332847716 CDDHQHUHZYNFGK-QWRGUYRKSA-N 301.368 -0.112 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)NCC(=O)N1CCCCC1 336925710 VGFFFUBPFGTLGX-NSHDSACASA-N 302.400 -0.075 30 20 DBED CCOC(=O)[C@H]1CCCN1S(=O)(=O)N1CCO[C@H](C#N)C1 336954307 XNBXJJILLRFNFP-GHMZBOCLSA-N 317.367 -0.517 30 20 DBED CN(C[C@@H]1CCC[C@@H]1O)S(=O)(=O)N1CCO[C@@H](C#N)C1 336955399 YLRSYZVZYQZGEU-SRVKXCTJSA-N 303.384 -0.452 30 20 DBED CC(C)N1C[C@@H](NS(=O)(=O)N(C)C[C@H](C)C#N)CC1=O 337039689 AANXWYBPQWCFNH-MNOVXSKESA-N 302.400 -0.078 30 20 DBED CC[C@]1(C)CN(S(=O)(=O)N2CCO[C@H](C#N)C2)CCO1 337150871 JHCUPNGLLNZJIG-VXGBXAGGSA-N 303.384 -0.044 30 20 DBED C=CCN1CC[C@@H](N2CCC(S(=O)(=O)NC)CC2)C1=O 337181513 MPYNDCGDTFMSFC-GFCCVEGCSA-N 301.412 -0.213 30 20 DBED COC(=O)[C@H]1CNC(=O)CN1C(=O)c1ccc(C#N)c(O)c1 344934785 LYBZYZAQPKUUHW-SNVBAGLBSA-N 303.274 -0.623 30 20 DBED COC(=O)c1cn(CCNC(=O)c2cnccc2C#N)nn1 345425294 GFZWOLQPSOIXFX-UHFFFAOYSA-N 300.278 -0.239 30 20 DBED C=CCN(C)C(=O)C(=O)NC[C@@H]1CCCN1S(C)(=O)=O 347302626 GRAVKNAWUIMIPA-JTQLQIEISA-N 303.384 -0.829 30 20 DBED COC(=O)[C@H]1CS(=O)(=O)CCN1CCCSCC#N 358821605 ALNBNSRASGPOEC-SNVBAGLBSA-N 306.409 -0.095 30 20 DBED C[C@H](NC(=O)c1cc(C#N)c[nH]1)C(=O)N1CCS(=O)(=O)CC1 359178193 RHCCXNCSTLQPAN-VIFPVBQESA-N 324.362 -0.738 30 20 DBED Cn1c(N2CCC[C@H]2c2ncon2)c(C#N)c(=O)n(C)c1=O 370772213 IJQBSQGUEAWLJE-VIFPVBQESA-N 302.294 -0.320 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCCNC(=O)[C@@H]1C 374399080 AADOIAXZZZKLGG-QWRGUYRKSA-N 302.400 -0.077 30 20 DBED N#Cc1ccc(S(=O)(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)s1 435421967 JXOCVSWMYDMXHY-CBAPKCEASA-N 315.376 -0.069 30 20 DBED C#CC(C)(C)NC(=O)CCNS(=O)(=O)c1cn(C)c(C)n1 490648722 BPDGWLOBAMDVNY-UHFFFAOYSA-N 312.395 -0.075 30 20 DBED COC(=O)[C@@H]1CNC(=O)CN1C(=O)c1ncc(C#N)cc1C 552072213 LQYAUZWZDDINQW-JTQLQIEISA-N 302.290 -0.625 30 20 DBED COC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)CC1(CC#N)CC1 580581899 LXUVWSJFHHYDPI-ZJUUUORDSA-N 302.352 -0.382 30 20 DBED N#CC1CN(C(=O)[C@H](CO)NC(=O)Cc2ccc(F)cc2)C1 593727835 DPNSLCLXCSVNSF-ZDUSSCGKSA-N 305.309 -0.173 30 20 DBED Cn1cc(C#N)c(=O)n(CCc2nnn(C(C)(C)C)n2)c1=O 594883614 PVKJBUNRBHWTJR-UHFFFAOYSA-N 303.326 -0.597 30 20 DBED C=CCOC[C@H](NC(=O)[C@@H](C)NS(=O)(=O)CC)C(=O)OC 597606108 DNPBCDAZMJAUGI-ZJUUUORDSA-N 322.383 -0.825 30 20 DBED CC(C)OCCS(=O)(=O)NCC(=O)N1CC[C@@](F)(C#N)C1 615588279 NRGGPBHKBDSMDU-GFCCVEGCSA-N 321.374 -0.205 30 20 DBED COCCOCCOCCS(=O)(=O)N1CC[C@@](F)(C#N)C1 619795907 KGGMXFVNCVJDHO-GFCCVEGCSA-N 324.374 -0.067 30 20 DBED C=CC[C@@]1(C(=O)N[C@H]2CCN(S(C)(=O)=O)C2)CCCN1 662829599 UUMKCOSFVUFWQE-AAEUAGOBSA-N 301.412 -0.165 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCC[C@H](CS(N)(=O)=O)C1 732092284 IYYHTXOXDHAYFN-STQMWFEESA-N 313.423 -0.389 30 20 DBED C#C[C@@H](NC(=O)CCN1CCCS1(=O)=O)[C@@H]1CCCO1 772891501 UXGPPHRBSZQZFN-NEPJUHHUSA-N 300.380 -0.291 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCCOC(=O)C2CC2)C1=O 773463304 ZQANXDHQHLJODT-UHFFFAOYSA-N 323.305 -0.967 30 20 DBED C#Cc1cc(F)c(NC(=O)C(=O)N2CCNC(=O)C2)c(F)c1 775530171 URVSWDJGBZRJLD-UHFFFAOYSA-N 307.256 -0.157 30 20 DBED CN1C[C@@H](C(=O)OCc2cc(O)n3ncc(C#N)c3n2)CC1=O 782710780 FIIZJDVEJAXZMR-QMMMGPOBSA-N 315.289 -0.172 30 20 DBED C=CCS(=O)(=O)CCNC(=S)NCC(=O)NC(C)C 782890525 NVOWEQDWLOGDRV-UHFFFAOYSA-N 307.441 -0.424 30 20 DBED C#C[C@H](C)NC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)cc1 784849806 XFFIIYFTTJVSSB-NSHDSACASA-N 314.345 -0.301 30 20 DBED COC[C@@H](C#N)OC(=O)c1cc(S(=O)(=O)N(C)C)c[nH]1 785164973 PVNMEHZVHWLHRS-MRVPVSSYSA-N 301.324 -0.040 30 20 DBED C#C[C@H](NC(=O)C(=O)NCCOC[C@@H]1CCOC1)[C@H]1CCCO1 804932133 CJBXSOSTWDPFRZ-HZSPNIEDSA-N 324.377 -0.547 30 20 DBED CCN(CCNC(=O)C(=O)NC1CCN(CC#N)CC1)C(C)C 805058918 YJXZOSDQTWVQOA-UHFFFAOYSA-N 323.441 -0.063 30 20 DBED C[C@@](C#N)(CC(=O)O)C(=O)N1CCC[C@@H](CS(N)(=O)=O)C1 819811439 ORPFDQHGJQQWPR-SKDRFNHKSA-N 317.367 -0.482 30 20 DBED CN(Cc1cnn(C)c1)C(=O)COC(=O)[C@@](C)(C#N)CC(=O)O 820607422 ATPYWKJTVMXYRS-CQSZACIVSA-N 322.321 -0.074 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N[C@H](C)CN1CCCC1=O 827467054 MWQJEKCHDPIODY-CYBMUJFWSA-N 323.393 -0.388 30 20 DBED N#CCN(CC(=O)O)CC(=O)NCc1ccc2c(c1)OCO2 833066947 MENCOPOIQCHQPH-UHFFFAOYSA-N 305.290 -0.058 30 20 DBED CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CNC[C@H]2C#N)c1 834516811 MEZHLOBKJNIUEM-YPMHNXCESA-N 322.390 -0.174 30 20 DBED CN(CC(=O)N[C@@H]1CNC[C@@H]1C#N)S(=O)(=O)c1ccccc1 834517287 TZRAKWHLWIHDJN-WCQYABFASA-N 322.390 -0.465 30 20 DBED C#C[C@H](NC(=O)C(=O)N(CCC)[C@@H]1CCNC1)[C@@H]1CCCO1 842163403 LZSLPGNYCONFPR-RDBSUJKOSA-N 307.394 -0.116 30 20 DBED Cc1cc(C(=O)N[C@H]2CNC[C@@H]2C#N)ccc1S(N)(=O)=O 843458857 ANQWIWYWVQMSRW-QWRGUYRKSA-N 308.363 -0.516 30 20 DBED CC#CC[C@@H](CO)NC(=O)C1=C(C)N(C)c2nnnn2[C@@H]1C 848241797 XIESWGRHLPAWNQ-MNOVXSKESA-N 304.354 -0.152 30 20 DBED C[C@@H](C#N)N(C1CC1)S(=O)(=O)CCS(=O)(=O)N(C)C 882394297 BOGQZOHVSBBPSK-VIFPVBQESA-N 309.413 -0.416 30 20 DBED C#CCSCC(=O)O[C@@H](C)C(=O)N[C@@H]1CCS(=O)(=O)C1 885889497 FEVCNWSQEQFZJA-VHSXEESVSA-N 319.404 -0.412 30 20 DBED C#CCSCC(=O)NCC#CCNC(=O)CSCC#C 897358494 UBHDZXJAUUJHMB-UHFFFAOYSA-N 308.428 -0.045 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCN1CCC2(C1)OCCO2 899057636 IFYXAMMDKSLWPS-AWEZNQCLSA-N 307.394 -0.351 30 20 DBED O=C(NCC#CCO)NCCS(=O)(=O)CCc1ccccc1 923766306 AQROTVAPHWQALU-UHFFFAOYSA-N 324.402 -0.061 30 20 DBED NC(=O)c1ccc(N2CCN(C(=O)NCC#CCO)CC2)cc1 923780517 MHOKIGVIQWFRFK-UHFFFAOYSA-N 316.361 -0.387 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CCN(C(=O)c3nnn(C)n3)C2)C1 942358097 OLPMAIIIGCWFAD-SNVBAGLBSA-N 304.354 -0.103 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCN(C(=O)Cc3nc[nH]n3)CC2)C1 945062222 WBQFZQFGZRASKH-NSHDSACASA-N 316.365 -0.042 30 20 DBED CCN1C[C@@H](C(=O)N(C)C2CN(C(=O)C#CC3CC3)C2)CC1=O 954487563 VCSCPYQNUHZYSD-ZDUSSCGKSA-N 317.389 -0.063 30 20 DBED C=CCN1C[C@H](CNC(=O)c2cc3ncccn3n2)[C@@H](O)C1 958507747 WEVAIEOTAIZHOR-AAEUAGOBSA-N 301.350 -0.062 30 20 DBED CN(C)c1ccnc(C(=O)NC[C@@H]2CN(CC#N)C[C@@H]2O)c1 958739881 GFENPKCAFYSABE-RISCZKNCSA-N 303.366 -0.306 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cn(C)cn2)C1 958822885 NEBNVNJZDZYHTQ-DLOVCJGASA-N 305.338 -0.777 30 20 DBED Cc1n[nH]cc1C(=O)N1CCO[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]21 960717588 MRWHJJXGHLKQQG-JIMOISOXSA-N 317.349 -0.070 30 20 DBED CC#CCN1C[C@H]2C(NC(=O)[C@@H]3COCCN3C(C)=O)[C@@H]2C1 962620122 VOKJALQGVINEJN-MCIONIFRSA-N 305.378 -0.697 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)c1csc(O)n1 964303046 FEBOLYBCWYDKND-DTWKUNHWSA-N 324.362 -0.034 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H](NC(=O)c2nnn(C)n2)CC1 965093776 DVGKCMYUTKUHOW-UWVGGRQHSA-N 305.342 -0.519 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3COCCO3)C2)c1 973032045 ZZGVXSFRIXGJLR-NQBHXWOUSA-N 318.333 -0.321 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)C(C)(C)C(N)=O)C[C@H]21 974974686 YBUVGLDLSQRDSI-GMTAPVOTSA-N 306.366 -0.283 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)CCn3cncn3)C[C@H]21 974977064 ZSBTTYPBEYGPHN-JHJVBQTASA-N 316.365 -0.113 30 20 DBED C=CCN[C@H]1CCC[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C1 981125111 QLZFZDUZQNECDF-QWHCGFSZSA-N 320.393 -0.250 30 20 DBED Cn1cc(C(=O)NC[C@H]2CCN(C(=O)C#CC3CC3)C2)nn1 982743146 VYCXFLKRPCRFDC-GFCCVEGCSA-N 301.350 -0.193 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)Cn3cncn3)C[C@@H]2C1 986710109 MRWHHTPUYSQSGW-XQQFMLRXSA-N 316.365 -0.255 30 20 DBED C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)Cn2ncn(C)c2=O)C1 989061384 FHZAYMYCMRWODM-GHMZBOCLSA-N 313.789 -0.087 30 20 DBED N#CCN[C@@H]1CCC[C@@H]2CN(C(=O)CN3C(=O)CNC3=O)C[C@H]21 992903749 RXUXMZCPNFUKIR-IJLUTSLNSA-N 319.365 -0.722 30 20 DBED CC#CCN1CCC[C@@H](NC(=O)CN2CCOCC2=O)[C@H]1C 993420927 KRDIRRDDUOTJBO-ZIAGYGMSSA-N 307.394 -0.162 30 20 DBED CC#CCN1CCC[C@@H](NC(=O)CN2CCC(=O)NC2=O)[C@@H]1C 994170000 UKBSXQPNMXLDFU-QWHCGFSZSA-N 320.393 -0.079 30 20 DBED C#CCNC1CCN(C(=O)CN2C(=O)CC(C)(C)C2=O)CC1 996524815 PYHSWNAQNYYZHC-UHFFFAOYSA-N 305.378 -0.015 30 20 DBED C#CCN[C@H]1CN(C(=O)Cn2cnnn2)CC[C@H]1C(F)(F)F 998230742 HBEZIIUVTMEOKY-ZJUUUORDSA-N 316.287 -0.325 30 20 DBED C=CCn1cc(C(=O)N2CC(NC(=O)c3n[nH]cc3F)C2)nn1 999196550 FVAKWCLNKIQJPN-UHFFFAOYSA-N 319.300 -0.419 30 20 DBED C=CCN1CC[C@H](n2cc(CNC(=O)[C@H]3COC(=O)N3)nn2)C1 999982600 FXYMKTWOVSYXLW-NWDGAFQWSA-N 320.353 -0.565 30 20 DBED C=C(C)CN[C@@H]1CCCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)C1 1000364638 AJIUZSDYFRYEMJ-LLVKDONJSA-N 322.365 -0.436 30 20 DBED Cc1nn[nH]c1C(=O)N1CC(CNC(=O)c2c[nH]c(C#N)c2)C1 1001513843 AGNBAGAXRXZMQT-UHFFFAOYSA-N 313.321 -0.185 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CCN([C@@H]3CCCNC3=O)C2)[nH]1 1010647415 YVNDZHXGEGZCFJ-DGCLKSJQSA-N 301.350 -0.031 30 20 DBED C[C@@H]1C[C@@H](NC(=O)c2cnnn2C)CN1C(=O)C#CC1CC1 1012582980 VQJCWWIGLPVEGE-ZYHUDNBSSA-N 301.350 -0.052 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2CC[C@@H](C)N(C(=O)C(N)=O)C2)nc1 1018299011 PDKBSZFLUFXTML-PWSUYJOCSA-N 314.345 -0.343 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NCc2cnnn2C)C1 1022220393 AZERLXWBQBDRJD-GUTXKFCHSA-N 316.409 -0.351 30 20 DBED Cc1ncn(C)c1C(=O)N[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1O 1024172065 UJJHOMNDXUXBFO-FBIMIBRVSA-N 305.338 -0.810 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2CCN([C@H](C)C(N)=O)C2)cn1 1028938476 QARBVZAWEVLWBB-VXGBXAGGSA-N 300.362 -0.012 30 20 DBED C=CCN1[C@H]2CC[C@H]1CN(C(=O)Cn1cnc(C(N)=O)n1)C2 1029314426 SFORWHKGLMBVAI-QWRGUYRKSA-N 304.354 -0.762 30 20 DBED C=C(C)CN1[C@H]2CC[C@H]1CN(C(=O)[C@@H]1CC(=O)NC(=O)N1)C2 1029494759 QZFVXUCAICAVCH-SRVKXCTJSA-N 306.366 -0.164 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCC1CN(Cc2n[nH]c(C)n2)C1 1031740498 DGBQVMCQQGDPJF-AWEZNQCLSA-N 316.409 -0.241 30 20 DBED C=CCn1cc(C(=O)NCC2CN([C@H](C)C(=O)NC)C2)nn1 1032034818 FXHKYPWWLUCCDA-SNVBAGLBSA-N 306.370 -0.740 30 20 DBED C#CCN1CC[C@H](N(C)C(=O)[C@@H]2CCc3nnc(O)n3C2)C1 1033201475 DXMOKVLBTZEGML-NEPJUHHUSA-N 303.366 -0.288 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@@H]3[C@@H](CCN3CC(N)=O)C2)[nH]1 1036691188 LVLRKHZOMTYAJG-GXFFZTMASA-N 301.350 -0.092 30 20 DBED C=C(C)CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)Cn1ncn(C)c1=O 1037469800 LYHNIOCBPVEKGO-MBNYWOFBSA-N 305.382 -0.263 30 20 DBED C=CCN1CC[C@@H](N2CC[C@H]2CNC(=O)[C@@H]2[C@H]3COC[C@H]32)C1=O 1038607520 LONJSGMXVJOSGA-VQJWOFKYSA-N 319.405 -0.144 30 20 DBED C#Cc1cncc(C(=O)NC[C@@H]2CCN2Cc2nc(O)n[nH]2)c1 1038679291 AXPXLSQXBOMUOY-LBPRGKRZSA-N 312.333 -0.109 30 20 DBED C=CCCCC(=O)NC[C@@]1(O)CCN(C(=O)Cn2nccn2)C1 1040729462 PTGQAEYFJOHLOW-HNNXBMFYSA-N 321.381 -0.286 30 20 DBED Cc1conc1C(=O)N1CC[C@](O)(CNC(=O)[C@H](C)C#N)C1 1040759118 DXGNTVMZUPLEAN-OTYXRUKQSA-N 306.322 -0.164 30 20 DBED CN1CCN(CC(=O)N2CC[C@@]3(CCN(CC#N)C3)C2)CC1=O 1041421460 ILJJCLQBXAPJSY-MRXNPFEDSA-N 319.409 -0.792 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)C[C@@H]2CCOC2)C1 1042039867 KGKQBNRNZBAHPJ-LBPRGKRZSA-N 312.366 -0.695 30 20 DBED C#CCCCCC(=O)N1CC(O)(CNC(=O)[C@H]2CCC(=O)N2)C1 1042067353 HPCGDIIZAAHAOC-GFCCVEGCSA-N 321.377 -0.852 30 20 DBED C=CCN1CC[C@@H]2CCN(C(=O)Cn3nc(C)n(C)c3=O)C[C@H]21 1042333426 OOBOIDMGZRNGMM-ZIAGYGMSSA-N 319.409 -0.001 30 20 DBED C[C@@H](c1nnnn1C)N1CC(N(C)C(=O)c2ccc(C#N)[nH]2)C1 1042629257 WZRFKMPGBMZOFQ-VIFPVBQESA-N 314.353 -0.073 30 20 DBED CC#CCN1CC[C@@H](N2CCN(C(=O)[C@@H]3CCNC3=O)CC2)C1 1046049589 SGMDCGYEKVKMPF-HUUCEWRRSA-N 318.421 -0.636 30 20 DBED N#CCN1CCOC[C@@H]1CNC(=O)c1nc2ncccn2n1 1051174777 KQTOTOXSVAVWTF-JTQLQIEISA-N 301.310 -0.922 30 20 DBED N#Cc1ccc(N2CC[C@H](NC(=O)c3ccon3)[C@H](O)C2)nn1 1051633562 ZRZKSRDRSSUPRO-CMPLNLGQSA-N 314.305 -0.294 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H]1CN(C(=O)C(F)F)C[C@@H]1C 1051707655 SQAXGOLWNKDZMI-UWVGGRQHSA-N 315.320 -0.398 30 20 DBED C=CCCN1CCN([C@@H]2CCN(C(=O)c3nnn(C)n3)C2)CC1 1052067944 RIQPUWDGQDWYSL-CYBMUJFWSA-N 319.413 -0.382 30 20 DBED C=CCN1CCN([C@@H]2CCN(C(=O)[C@]3(C)CCNC3=O)C2)CC1 1052079502 BLBFLZKYWRFRAW-RHSMWYFYSA-N 320.437 -0.083 30 20 DBED C#CCN1CCN([C@@H]2CCN(C(=O)Cc3cncn3C)C2)CC1 1052108946 UAGYAOXGFYFDHR-OAHLLOKOSA-N 315.421 -0.186 30 20 DBED C=C(C)CCN1CC2(C1)CN(C(=O)[C@@H]1CNC(=O)N1)CCO2 1053402271 JIPJBJKLACFKHK-LBPRGKRZSA-N 308.382 -0.453 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)[C@@H]3CCNC(=O)CC3)CO2)C1 1053881436 JGMWTNSGJHKYBW-KBPBESRZSA-N 319.405 -0.115 30 20 DBED C[C@@H](C(=O)N1CCN(c2cncc(C#N)n2)CC1)n1cncn1 1055754011 IJGYYMQQYWPNIT-NSHDSACASA-N 312.337 -0.150 30 20 DBED C[C@H](C#N)C(=O)N[C@@]1(CO)CCCN(C(=O)CCN(C)C)C1 1056096627 JQGVFMBENBKPGL-DOMZBBRYSA-N 310.398 -0.433 30 20 DBED N#Cc1nccnc1N1C[C@@H]2C(NC(=O)c3ccc(O)nn3)[C@H]2C1 1056111010 BQCNBCNTFGQMEA-IUCAKERBSA-N 323.316 -0.292 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCC[C@H]2[C@H]1CCN2C(=O)CC(N)=O 1056378258 ADJHOGNDCAGRNA-OZVIIMIRSA-N 323.393 -0.219 30 20 DBED CN(c1cncc(C#N)n1)[C@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1 1056873695 WMCFIFWCFDARQL-NWDGAFQWSA-N 314.349 -0.336 30 20 DBED C=CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)[C@@H](CC)OC 1057156775 JNZQSXFFXKADIU-QWHCGFSZSA-N 316.398 -0.060 30 20 DBED N#Cc1cccnc1N1CCCN(C(=O)[C@H]2CNC(=O)N2)CC1 1057216373 PTTBBKXKXBSZRO-GFCCVEGCSA-N 314.349 -0.327 30 20 DBED C=CCO[C@H](C)C(=O)NCCN(CCO)C(=O)CC(C)(C)O 1057463473 YEVANJZKZXDMQH-GFCCVEGCSA-N 316.398 -0.324 30 20 DBED N#Cc1nccnc1N1CCC(NC(=O)[C@H]2COCCO2)CC1 1057840662 MXPHVUBFUYLUIL-CYBMUJFWSA-N 317.349 -0.151 30 20 DBED CCN1CCCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N 1057864267 JUHGFKPNYMYAOS-KBPBESRZSA-N 324.425 -0.042 30 20 DBED C=CCCOCC(=O)N(CCO)CCNC(=O)COCC 1057919051 KQTJOIOBOYGVNQ-UHFFFAOYSA-N 302.371 -0.447 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)[C@H](C)OCC=C 1057921460 IDVUNGWFPZLUBC-ZDUSSCGKSA-N 314.382 -0.283 30 20 DBED CN1CCOC[C@@H]1C(=O)N[C@@H]1CCN(c2cncc(C#N)n2)C1 1058318862 HREJTVWWNSRTCQ-DGCLKSJQSA-N 316.365 -0.626 30 20 DBED O=C(C#CC1CC1)NCCN(CCO)C(=O)c1ncccn1 1058520417 HPHJJHIHLJENIW-UHFFFAOYSA-N 302.334 -0.559 30 20 DBED CCO[C@H](C(=O)NCCN(CCO)C(=O)[C@H](C)C#N)C1CC1 1058656897 MRWRQHYAFXYBKH-YPMHNXCESA-N 311.382 -0.102 30 20 DBED C#CCOCCC(=O)N[C@H]1CC[C@H](CNC(=O)C(N)=O)CC1 1060732514 LOXIMILKXYUDFN-HAQNSBGRSA-N 309.366 -0.697 30 20 DBED N#Cc1nc(=NC[C@H]2CCN(C(=O)Cn3ccnc3)C2)cc[nH]1 1060887285 CJNRPGNSDKWUAO-GFCCVEGCSA-N 311.349 -0.073 30 20 DBED N#Cc1ccc(NC[C@H]2CCN(C(=O)Cn3ncnn3)C2)nn1 1060927682 PRVQACXJGWURIR-SNVBAGLBSA-N 313.325 -0.705 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@H]1COCCN1C(=O)COCC 1061538447 OHLVXOPWWOIEOV-DOMZBBRYSA-N 314.382 -0.306 30 20 DBED C#CCCCC(=O)NC[C@H]1COCCN1C(=O)CC(=O)NCC 1061539990 GKAOLMBUHLEYTG-ZDUSSCGKSA-N 323.393 -0.340 30 20 DBED C=CCCC(=O)N1CCOC[C@@H]1CNC(=O)[C@H]1CN(C)C(=O)N1 1061751690 AHQNLVPFIITWPQ-NWDGAFQWSA-N 324.381 -0.680 30 20 DBED CC(C)C#CC(=O)N1CCOC[C@H]1CNC(=O)CCN(C)C 1061860493 YLZFZQLKAWBKCT-CQSZACIVSA-N 309.410 -0.059 30 20 DBED CCn1nncc1C(=O)N[C@H]1[C@H]2C[C@H]1N(c1cnc(C#N)cn1)C2 1064246312 MRVFGUFRJGNSNQ-PXWWUCIGSA-N 324.348 -0.033 30 20 DBED Cn1nnc(C(=O)N[C@@H]2[C@H]3C[C@H]2N(c2ccncc2C#N)C3)n1 1064325156 UKVPFDYYUWHXLZ-XXILOJSOSA-N 310.321 -0.516 30 20 DBED C#CCCCCC(=O)NC[C@H]1CN(C(=O)CNC(C)=O)CCO1 1064775372 NHROSLUVHPKFEW-AWEZNQCLSA-N 323.393 -0.340 30 20 DBED C=CCOCC(=O)N1CCO[C@@H](CNC(=O)Cc2cnoc2)C1 1064972048 OJVGCHWVTXVXRO-ZDUSSCGKSA-N 323.349 -0.237 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CN(C(=O)c2ccncn2)CCO1 1065506515 ZPKNNLBEZCBVIC-MNOVXSKESA-N 303.322 -0.407 30 20 DBED COCCC(=O)N1CC[C@H](N2CCN(C(=O)[C@H](C)C#N)CC2)C1 1065676714 KORVSMCYFSGSHK-KGLIPLIRSA-N 322.409 -0.072 30 20 DBED C[C@H](N=c1cc[nH]c(C#N)n1)[C@@H]1CCN(C(=O)c2nc[nH]n2)C1 1065730210 ZSIUIKDAGQBFAC-VHSXEESVSA-N 312.337 -0.149 30 20 DBED C#CCOCCC(=O)N1CCC[C@H](NC(=O)c2cnn[nH]2)CC1 1066301374 RCBUVSPAZHQSOP-LBPRGKRZSA-N 319.365 -0.045 30 20 DBED N#Cc1ccc(N2C[C@H](CNC(=O)c3cn[nH]c3)[C@@H](O)C2)nn1 1067651855 QTDAARJLKBESGK-JQWIXIFHSA-N 313.321 -0.702 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](CNC(=O)c3cnco3)C2)nn1 1067688329 DQWLXIPZZKCVMQ-MWLCHTKSSA-N 314.305 -0.437 30 20 DBED N#Cc1cnc(N2C[C@H](O)[C@H](CNC(=O)c3cnco3)C2)cn1 1067688736 KHDYEPSBBCZDHW-KOLCDFICSA-N 314.305 -0.437 30 20 DBED C#CCCCC(=O)N1CC2(C[C@@H](NC(=O)CNC(C)=O)CO2)C1 1068665929 GZXLTYCUYUSSLD-CYBMUJFWSA-N 321.377 -0.588 30 20 DBED C[C@H]1[C@H](Nc2cnc(C#N)cn2)CCN1C(=O)c1nnn(C)n1 1068927189 CXLQHIMSTDOAHO-WCBMZHEXSA-N 313.325 -0.413 30 20 DBED CC#CCN1CCn2ncc(CNC(=O)c3cnn(C)n3)c2C1 1069877535 ZSZJKWYQNJLTGF-UHFFFAOYSA-N 313.365 -0.220 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)CCn4ccnn4)C[C@@]3(C1)O2 1070793392 HIDZVCTWANUSTM-SQWLQELKSA-N 315.377 -0.397 30 20 DBED Cc1[nH]nc(C(=O)N2CCC(=O)NCCN(CC#N)CC2)c1O 1070954943 CGFITPXHTJCYLA-UHFFFAOYSA-N 320.353 -0.789 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)c2c[nH]c(C#N)c2)CC1 1070954953 CNZSXTNTJPANSJ-UHFFFAOYSA-N 313.361 -0.216 30 20 DBED CCNC(=O)CC(=O)N1C[C@@H](NC(=O)C#CC2CC2)[C@H](C)C1 1071939080 KPVQTOZVKATDAK-DGCLKSJQSA-N 305.378 -0.111 30 20 DBED C#CCOCCC(=O)N1C[C@H](C)[C@@H](NC(=O)c2[nH]nnc2C)C1 1072094064 OWJOZEKUMKNKHW-JQWIXIFHSA-N 319.365 -0.270 30 20 DBED C[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1NC(=O)C#CC1CC1 1072165800 SWFJAPGZRDZHSP-ZYHUDNBSSA-N 302.338 -0.950 30 20 DBED Cn1cnc(C(=O)NC[C@H]2CN(CC#N)CCCO2)cc1=O 1073642216 JUUOUFNGURVTFG-NSHDSACASA-N 305.338 -0.875 30 20 DBED C[C@H](C#N)C(=O)N1CCC(O)(CNC(=O)[C@@]23COC[C@@H]2C3)CC1 1074706394 KOLXSJGLDMLJQQ-WQGACYEGSA-N 321.377 -0.348 30 20 DBED C#CCCCC(=O)N[C@H]1CCN(C(=O)Cn2cnnn2)[C@@H](C)C1 1074960425 KQYVCQNGVXQLDI-STQMWFEESA-N 318.381 -0.028 30 20 DBED CCC(=O)NCC(=O)N[C@@H](C)CCNC(=O)CSCC#N 1075676011 XTKIIKPRGXHGIF-JTQLQIEISA-N 314.411 -0.220 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2ocnc2C(F)(F)F)C1 1077446585 NUQOIUDLUDGQLR-RNFRBKRXSA-N 304.228 -0.008 30 20 DBED C=CCCC(=O)N[C@@H](C)CCNC(=O)CS(=O)(=O)N(C)C 1077805167 KKMSXOCSYDTZIK-NSHDSACASA-N 319.427 -0.145 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)c1ncccn1 1077999880 DKBMOXURMWBRLJ-NSHDSACASA-N 317.349 -0.759 30 20 DBED N#CCN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)CC1CS(=O)(=O)C1)C2 1078981459 SHNMDDRJVHWRIM-RAIGVLPGSA-N 311.407 -0.086 30 20 DBED C#CCN[C@H]1C[C@H]2CC[C@H]1N(C(=O)c1cn(C)c(=O)cn1)C2 1079000154 FRFRAQNEHHOHAZ-MBNYWOFBSA-N 300.362 -0.004 30 20 DBED CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)[C@H](C)S(C)(=O)=O)C1 1080421757 PBFVFNZSZLITFD-ZJUUUORDSA-N 315.395 -0.362 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CN(CC(=O)NC)C[C@H]2C)nn1 1080578005 VDMMYYNHHYUEJT-GHMZBOCLSA-N 306.370 -0.740 30 20 DBED CC(C)(C)C(=O)C(=O)NC[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 1081349258 NWSJFSRQKJYLSG-OLZOCXBDSA-N 320.389 -0.050 30 20 DBED C=CCC(CC=C)C(=O)N1C[C@@H](O)[C@H](CNC(=O)CC(N)=O)C1 1081368480 OEGATBHJJFFKSR-CHWSQXEVSA-N 323.393 -0.434 30 20 DBED C#CCOCCC(=O)NC[C@H]1CN(C(=O)C2CC=CC2)C[C@@H]1O 1081488117 DFXRDMHVTFHVCE-GJZGRUSLSA-N 320.389 -0.072 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1COCCN1C 1083056254 HBWBKUMZTBQUOD-SOUVJXGZSA-N 307.394 -0.748 30 20 DBED N#CCN1CC[C@H](NC(=O)c2ccnn2CC(F)F)[C@H](O)C1 1090266142 RPKNGOLFZSAZRJ-GXSJLCMTSA-N 313.308 -0.163 30 20 DBED N#CCN1CC[C@H](NC(=O)c2cccc3nn[nH]c23)[C@H](O)C1 1090288110 YQOAFMTYULBTTP-CMPLNLGQSA-N 300.322 -0.354 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2cnc3n2CCOC3)[C@H](O)C1 1090337425 RDYZMJVUVNFXOP-GXTWGEPZSA-N 318.377 -0.398 30 20 DBED CC(C)[C@@H](O)C(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1O 1090407741 AENKXAPFJXOKPI-NQBHXWOUSA-N 305.338 -0.969 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cc(=O)c(OC)c[nH]2)[C@H](O)C1 1090432451 KNMRXUINICMZPE-GXFFZTMASA-N 305.334 -0.818 30 20 DBED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C2)cc1F 1090533226 XRPSUHNGUBZOSC-OLZOCXBDSA-N 320.324 -0.766 30 20 DBED Cc1nc(C)c(CC(=O)N[C@H]2CCN(CC#N)C[C@@H]2O)c(O)n1 1090804389 IAAOBIOYQYWGPC-STQMWFEESA-N 319.365 -0.583 30 20 DBED C#CCN1CCC(C(=O)N[C@H]2CCN(CCOC)C[C@H]2O)CC1 1090832162 YQKPNAQHDUFIGR-JKSUJKDBSA-N 323.437 -0.471 30 20 DBED CO[C@H](C)CCC(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1091096170 JOPFBQJZORAAMX-RTXFEEFZSA-N 319.365 -0.171 30 20 DBED Cc1cc(=N[C@H]2C[C@@H](CNC(=O)CC(N)=O)C2)c(C#N)c[nH]1 1091327040 SYQYHUUXKNJFRI-KLPPZKSPSA-N 301.350 -0.134 30 20 DBED Cc1nc(N(C)C)nc(N2C[C@H]3[C@H](NC(=O)[C@@H](C)C#N)[C@H]3C2)n1 1093235355 PPSWVAGRVNWRBO-OHBODLIOSA-N 315.381 -0.044 30 20 DBED N#Cc1nc(=NCCNC(=O)CCNC(=O)C2CCC2)cc[nH]1 1093723070 HZOHYJZHFRYDRF-UHFFFAOYSA-N 316.365 -0.395 30 20 DBED N#Cc1c[nH]ccc1=NCCNC(=O)c1cccn2c(O)nnc12 1093760777 GHZALRJNPWKOGB-UHFFFAOYSA-N 323.316 -0.035 30 20 DBED Cc1cc(C#N)nc(NCCCNC(=O)[C@H]2CCC(=O)N2)n1 1094337325 BXVFHVWEGCRBSL-LLVKDONJSA-N 302.338 -0.147 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)c3cc(=O)n(C)o3)CC2=O)C1 1094730637 GNRMFSSFLUULPP-JTQLQIEISA-N 320.349 -0.821 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)c3coc(OC)n3)CC2=O)C1 1094767257 XTGRMRBKXKFUIX-SNVBAGLBSA-N 320.349 -0.116 30 20 DBED C#CCCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 1096005512 CLDGQLRGMARJTP-IKOXMDCHSA-N 305.378 -0.236 30 20 DBED C[C@@H](CC(=O)N[C@H]1C[C@@H](Nc2cncc(C#N)n2)C1)NC(N)=O 1097225184 PQLIPEIHRXQJFA-LPEHRKFASA-N 317.353 -0.146 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CCN(C)C1=O)Nc1ccc(C#N)nn1 1098193223 BOYIMEONXGMGAX-ONGXEEELSA-N 302.338 -0.257 30 20 DBED C=CCN(CCO)C1CCN(C(=O)CCS(C)(=O)=O)CC1 1098408437 VBBDXKDFZLZLHG-UHFFFAOYSA-N 318.439 -0.108 30 20 DBED C#CCNCc1cn([C@H]2CCN(C(=O)[C@]3(F)CCOC3)C2)nn1 1098706009 OVCFFVGMIHSKIM-ZFWWWQNUSA-N 321.356 -0.097 30 20 DBED C[C@@H](CCNC(=O)Cc1nc[nH]n1)N=c1cc[nH]c(C#N)n1 1099483520 MGEWEFDSNJTGDD-VIFPVBQESA-N 300.326 -0.562 30 20 DBED C=C(Cl)CN1CC[C@@H](NC(=O)CNC(=O)NC)[C@H](O)C1 1099858574 NMXCPPCGCSGOJW-NXEZZACHSA-N 304.778 -0.781 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)Cc2cnoc2)[C@H](O)C1 1099962734 SUXKRUYMYPRBJF-CHWSQXEVSA-N 322.365 -0.929 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)c2nccs2)[C@H](O)C1 1100044365 VINIMPJDBCRSFK-WDEREUQCSA-N 324.406 -0.390 30 20 DBED N#CCN1CC[C@H](NC(=O)CNC(=O)c2ccccc2)[C@@H](O)C1 1100083472 SUCPNJUCLUKYEX-KBPBESRZSA-N 316.361 -0.509 30 20 DBED C#CCN1CC[C@H](NC(=O)CNC(=O)c2cccs2)[C@H](O)C1 1100097012 QCVXVTCMJSQTQL-NWDGAFQWSA-N 321.402 -0.338 30 20 DBED COCC#CCNC1CC(CNC(=O)[C@H]2CCN(C)C2=O)C1 1100587891 YZZCHTGWTYYXIE-JXQTWKCFSA-N 307.394 -0.401 30 20 DBED C=CCn1cc(C(=O)NCC2CC(N[C@@H](C)C(=O)NC)C2)nn1 1100739104 IDXLQUZZAGPFNK-UNXYVOJBSA-N 320.397 -0.303 30 20 DBED N#CCNC(=O)CNC1CC(CNC(=O)c2ccc(O)nc2)C1 1100936598 TZZQHJZEFAAYLO-UHFFFAOYSA-N 317.349 -0.475 30 20 DBED N#Cc1cccnc1N1CC[C@@H](CNC(=O)Cn2ncnn2)C1 1101017362 DDDNAHVPTAVGHD-NSHDSACASA-N 312.337 -0.418 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)CC(C)(C)O)C1 1101924048 WABPOXZMQFHYKI-CHWSQXEVSA-N 309.410 -0.419 30 20 DBED N#Cc1cnc(N2CC[C@@H](CCNC(=O)CNC(N)=O)C2)cn1 1102282622 AZXXGNMMJHCNAY-SNVBAGLBSA-N 317.353 -0.651 30 20 DBED CNC(=O)CC(=O)N1CC[C@@H](CN(C)c2cncc(C#N)n2)C1 1102438406 PGMXYLYPXWWYRL-NSHDSACASA-N 316.365 -0.231 30 20 DBED C[C@@H](CC(N)=O)C(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(C#N)cn1 1102569937 JRNTYFAESVTIPY-DLOVCJGASA-N 314.349 -0.351 30 20 DBED CN(C)C(=O)CC(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(C#N)n1 1102574422 QKYBMYKSAPRWCM-RYUDHWBXSA-N 314.349 -0.384 30 20 DBED C[C@@H](CN=c1cc[nH]cc1C#N)CNC(=O)Cn1ncnn1 1104095290 PXJCTQLMNJJPNS-JTQLQIEISA-N 300.326 -0.774 30 20 DBED CN(CCN(C)c1cncc(C#N)n1)C(=O)[C@@H]1CC[C@@H]1C(N)=O 1105521553 NQKQRAGQKHQKOI-NWDGAFQWSA-N 316.365 -0.246 30 20 DBED CO[C@H](C)CCC(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1 1105794755 LMRZASXICYQXQT-MNOVXSKESA-N 307.354 -0.526 30 20 DBED N#Cc1nccnc1NC[C@H](O)CNC(=O)Cc1ccc[nH]1 1105863951 WIRICJZBGPJLIX-LLVKDONJSA-N 300.322 -0.192 30 20 DBED C[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1CNCC(=O)NC(N)=O 1106109039 BMTGAQNITIIIIQ-VXGBXAGGSA-N 322.409 -0.085 30 20 DBED CC[C@H](NC(C)=O)C(=O)NC[C@H](O)CN=c1cc[nH]cc1C#N 1106122527 BAEZPWUCAQUQIP-OLZOCXBDSA-N 319.365 -0.821 30 20 DBED CC[C@H](NC(C)=O)C(=O)NC[C@@H](O)CNc1ccc(C#N)nn1 1106123995 VCDBIQFDDMGQHD-RYUDHWBXSA-N 320.353 -0.848 30 20 DBED C[C@@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)CCCC(N)=O 1106366499 MDBIKCDWPDFURV-JTQLQIEISA-N 304.354 -0.268 30 20 DBED C[C@H](CCNc1cnc(C#N)cn1)NC(=O)Cn1ncnn1 1106454524 MNQSUCNWNBFBKB-SECBINFHSA-N 301.314 -0.658 30 20 DBED C[C@@H](CCNc1cnc(C#N)cn1)NC(=O)[C@H]1CNC(=O)N1 1106543777 SHOMKMRQWFFUPM-WCBMZHEXSA-N 303.326 -0.664 30 20 DBED C[C@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)[C@@H]1CC(=O)N(C)C1 1106613540 JIQILMSBPGCNKC-GHMZBOCLSA-N 316.365 -0.445 30 20 DBED CCN(CCNc1cncc(C#N)n1)C(=O)[C@H]1COC(=O)N1 1106754377 MLLONSDPCCSZTN-SNVBAGLBSA-N 304.310 -0.283 30 20 DBED CC(=O)N[C@H](C)C(=O)NC/C=C/CN=c1cc[nH]c(C#N)n1 1107021667 XGQIPNSTTNMNLJ-HMDXOVGESA-N 302.338 -0.621 30 20 DBED CN1CC[C@@H](C(=O)NC/C=C/CN=c2cc[nH]cc2C#N)C1=O 1107460495 VFTXKVLDOXCQMV-IBUXWKBASA-N 313.361 -0.062 30 20 DBED N#Cc1ccc(NC/C=C/CNC(=O)[C@H]2C[C@H]2C(N)=O)nn1 1107516409 COXNXQZRWXAKFG-OIDVMBJGSA-N 300.322 -0.446 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)c1cc(=O)n(C)o1 1107697115 AEBHRSRDFYHRNF-MRVPVSSYSA-N 302.294 -0.708 30 20 DBED C=CCOCC(=O)NC[C@]1(C)CN(CCOCCO)CCO1 1107811795 SARLFKDMVCLHBD-OAHLLOKOSA-N 316.398 -0.595 30 20 DBED C[C@H](CN(C)c1cnc(C#N)cn1)NC(=O)[C@H](C)CC(N)=O 1109204612 AZCLSGPAJWIOQE-NXEZZACHSA-N 304.354 -0.199 30 20 DBED N#Cc1nc(=NC[C@H](NC(=O)[C@@H]2COC(=O)N2)C2CC2)cc[nH]1 1109832850 OVKWKBBCVOVCBB-UWVGGRQHSA-N 316.321 -0.815 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1110500767 LMYBLAPGICJMJV-FOCJUVANSA-N 320.393 -0.325 30 20 DBED Cn1cnnc1COCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC#N 1111206688 LDAUFBLETJVXRX-UTUOFQBUSA-N 304.354 -0.423 30 20 DBED N#CCSCC(=O)N(CCO)CCNc1cnc(C#N)cn1 1111441971 RLYCSEBDRTWWJT-UHFFFAOYSA-N 320.378 -0.162 30 20 DBED Cn1ncc(C(=O)N(CCO)CCNc2nccnc2C#N)n1 1111484513 FDPRKJUHSSFVRQ-UHFFFAOYSA-N 316.325 -0.977 30 20 DBED CNC(=O)CC(=O)N1CCO[C@H](CNc2cnc(C#N)cn2)C1 1111940768 UQLOGVUREPDVAB-LLVKDONJSA-N 318.337 -0.876 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H]2CCC[C@]2(CNC[C@@H](C)O)C1 1112311840 IIHJPXQRQRWFOQ-KEYYUXOJSA-N 321.421 -0.275 30 20 DBED CCc1cc(C(=O)N2CCN(CC(=O)NCC#N)CC2)n[nH]1 1112624157 QFXPBFNSGBCBPT-UHFFFAOYSA-N 304.354 -0.630 30 20 DBED CCOC1CC(C(=O)N2CCN(CC(=O)NCC#N)CC2)C1 1112817659 XZCWKBNHZAXVOK-UHFFFAOYSA-N 308.382 -0.415 30 20 DBED C[C@H](NC(=O)Cn1cnnn1)[C@@H](C)N=c1cc[nH]cc1C#N 1112904991 GRPAGWYYSPILKY-ZJUUUORDSA-N 300.326 -0.633 30 20 DBED CCNC(=O)CC(=O)N[C@H](C)[C@H](C)N=c1cc[nH]c(C#N)n1 1112977422 ANHDONNCQRXOQQ-VHSXEESVSA-N 304.354 -0.399 30 20 DBED C=CCCN1CCN(C(=O)[C@H](CCC(N)=O)NC(C)=O)CC1 1113435451 IPEMIUFVQYYZRP-ZDUSSCGKSA-N 310.398 -0.523 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)C[C@H]2CCN(C)C2)CC1 1113536222 JGIFWULSWBPEAA-HUUCEWRRSA-N 320.437 -0.390 30 20 DBED C[C@H](CNC(=O)CCn1cnnn1)N(C)c1ccc(C#N)cn1 1113685509 ARMDDNJUQIUNAB-LLVKDONJSA-N 314.353 -0.029 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCN([C@H](C)C(=O)NC(N)=O)CC1 1113714504 GACHKXMTZJGNJU-MNOVXSKESA-N 312.370 -0.695 30 20 DBED C=CCOCCN1C[C@@H]2C(NC(=O)c3nnn(C)c3C)[C@H]2C1 1114091459 XGBUUIUQXFPYOZ-RYUDHWBXSA-N 305.382 -0.014 30 20 DBED CC(=O)NCCOCCN1C[C@H]2C(NC(=O)C#CC(C)C)[C@@H]2C1 1114247171 GGIHZUBDXJTSCC-HUUCEWRRSA-N 321.421 -0.155 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC3CC3)C[C@@H]21 1114271152 QEVSUNKMSSPMEA-UYHMYPTGSA-N 319.405 -0.403 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC3CC3)C[C@@H]21 1114271154 QEVSUNKMSSPMEA-YYWXWVFPSA-N 319.405 -0.403 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)c3ccn(C)c(=O)c3)[C@H]2C1 1114474992 RQVXLEYBUGDONH-FOLVSLTJSA-N 315.373 -0.305 30 20 DBED C#Cc1ccc(C(=O)NC2[C@H]3CN(CC(=O)NCC#N)C[C@H]23)cc1 1114660598 NNJINDSEGGMPLM-GJZGRUSLSA-N 322.368 -0.032 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)CCc3cnn[nH]3)[C@@H]2C1 1114858418 AJWLGUHPAHUYMR-CHWSQXEVSA-N 303.366 -0.567 30 20 DBED COC[C@H](C)CC(=O)NC1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]12 1115053215 MVGLAJPJIWUHSJ-IJLUTSLNSA-N 308.382 -0.655 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)c3c[nH]c(C(N)=O)c3)[C@@H]2C1 1115243085 IMQNOKJLRYRKOK-VXGBXAGGSA-N 316.361 -0.577 30 20 DBED C=C(Br)CNC(=O)C(=O)N[C@@H](C)C(=O)N(C)C 1117506008 BCGHYZFJJLBPHV-ZETCQYMHSA-N 306.160 -0.396 30 20 DBED CCCN1CCC(NC(=O)C(=O)N2CC[C@](O)(CC#N)C2)CC1 1118207274 IYONBYDRUFBVCY-MRXNPFEDSA-N 322.409 -0.146 30 20 DBED C=CCOCCNC(=O)C(=O)NCc1ccnc(N(C)C)n1 1118623546 IHSSAEWKQDLYLU-UHFFFAOYSA-N 307.354 -0.522 30 20 DBED N#Cc1nccnc1N[C@H](CO)CNC(=O)C[C@@H]1CCCO1 1121100191 PWOZWYHWKXOHMW-QWRGUYRKSA-N 305.338 -0.194 30 20 DBED CCO[C@H](CC)C(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1 1121166025 VSSBAFMPVZETLF-GHMZBOCLSA-N 307.354 -0.526 30 20 DBED C[C@@H](C(=O)NC[C@H](CO)Nc1nccnc1C#N)n1cccn1 1121213995 WDJBSVQVUIHSRF-WDEREUQCSA-N 315.337 -0.305 30 20 DBED CC(=O)N1CC(C(=O)NC[C@H](CO)Nc2ccc(C#N)nc2)C1 1121365954 PXNBYNCZJPZIHK-CQSZACIVSA-N 317.349 -0.679 30 20 DBED N#Cc1nc(=N[C@H](CO)CNC(=O)c2ccncc2F)cc[nH]1 1121405319 MFPMUMYYOPIFGA-VIFPVBQESA-N 316.296 -0.493 30 20 DBED Cc1c[nH]nc1C(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1 1121529267 WTYPDFWHHAQEHA-VIFPVBQESA-N 301.310 -0.996 30 20 DBED C=CCn1c(N(C)CCNC(C)=O)nnc1[C@@](C)(O)COC 1121680296 VYWNGPNOOKYKPN-AWEZNQCLSA-N 311.386 -0.110 30 20 DBED COC[C@@H](C)CC(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1 1121984979 NNSVMDLCHRHPTG-WDEREUQCSA-N 307.354 -0.668 30 20 DBED N#Cc1cnc(N[C@H](CO)CNC(=O)c2cnn[nH]2)c(F)c1 1122880396 QHLQXNMMFWEXLA-QMMMGPOBSA-N 305.273 -0.587 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)C1=COCCO1 1123019698 QAOORMUDELZAFP-UHFFFAOYSA-N 310.354 -0.657 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)C1=COCCO1 1123033030 SOMLLBMLGYZBKU-UHFFFAOYSA-N 309.366 -0.219 30 20 DBED CC(=O)NCC(=O)N[C@H]1CCCN(c2ccnc(C#N)n2)[C@H]1C 1123514145 OLLXICGZZXVHJL-JQWIXIFHSA-N 316.365 -0.042 30 20 DBED CN(C[C@@H](O)CNc1ccc(C#N)cn1)C(=O)c1cn(C)nn1 1124295592 GUOCGQXKUUUWAW-NSHDSACASA-N 315.337 -0.373 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)COC(C)(C)C 1124310414 RFTJKZBPHKEPHS-LLVKDONJSA-N 321.381 -0.184 30 20 DBED CCC(=O)N1CCC[C@H](C(=O)NCCNCC#CCOC)C1 1128010305 YNHGIJNOSNDXPS-AWEZNQCLSA-N 309.410 -0.009 30 20 DBED C=CCN1CCn2ncc(CNC(=O)C[C@H](C)NC(N)=O)c2C1 1128351068 RYTSDYPMDXAITJ-NSHDSACASA-N 320.397 -0.052 30 20 DBED COCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CCN(CC#N)CC1 1130266408 BEVYGOLKRLEGIF-DOMZBBRYSA-N 308.382 -0.368 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CCN(CCO)CC1 1130281312 HPJKJFIUTTXTPD-KYOSRNDESA-N 322.409 -0.386 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)CCc1cncnc1 1131350750 IWVGZOJVMFPWKD-LBPRGKRZSA-N 303.366 -0.747 30 20 DBED C#CCCN1CC[C@]2(C1)CN(C(=O)CNC(C)=O)C[C@H](C)O2 1131625510 VGGJHAIQGHDQRG-BBRMVZONSA-N 307.394 -0.162 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)CN(C)C(C)=O)CC[C@H]1C 1131833590 BOCRFILGELBVAG-OCCSQVGLSA-N 322.409 -0.817 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1 1134123770 FXULMUUCNPHDMW-QWHCGFSZSA-N 305.382 -0.468 30 20 DBED N#CCNC(=O)CNCCNC(=O)[C@@H]1[C@H]2Cc3ccccc3[C@H]21 1134896015 KCMSQGPRBLGWGI-NUEKZKHPSA-N 312.373 -0.082 30 20 DBED C#CCCN[C@@H](C)C[C@@H](C)NC(=O)c1cnc(O)n(C)c1=O 1135167488 UYHXXIINRRCXSU-WDEREUQCSA-N 306.366 -0.004 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)c1ncccc1F 1135727069 KUFRKQGWMSJGKJ-UHFFFAOYSA-N 323.328 -0.448 30 20 DBED C#CCN[C@@H](C)C[C@H](C)NC(=O)CN(C)S(=O)(=O)CC 1135821080 KNSHOPZORHTHST-RYUDHWBXSA-N 303.428 -0.226 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@@H](NC(N)=O)C(C)(C)C 1147779140 WYLCHULNQXYANG-LLVKDONJSA-N 313.402 -0.923 30 20 DBED C[C@H]1CO[C@@H](C(=O)N2CC3(CCN(CC(=O)NCC#N)C3)C2)C1 1147919874 CQDNVAYKFJDKGB-CHWSQXEVSA-N 320.393 -0.415 30 20 DBED CC(F)(F)C(=O)NC[C@@H]1CN(CC(=O)NCC#N)CCCO1 1149047692 MYHWGLSTOBAQDT-SNVBAGLBSA-N 318.324 -0.512 30 20 DBED C#CCCN1CCCO[C@H](CNC(=O)CN2CCCNC2=O)C1 1149945854 GNIVZLOLQKGLMC-CQSZACIVSA-N 322.409 -0.368 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)COCCOC 1152432087 MGWNZMIHLUCLMU-CYBMUJFWSA-N 313.398 -0.775 30 20 DBED C=CCO[C@@H](C)C(=O)NCCNCC(=O)NCCOCC 1153135642 WVWXHJSOOJHRKB-LBPRGKRZSA-N 301.387 -0.564 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)Cn1cc(C)cn1 1155265256 UQJBCZUMRSNYIG-ZDUSSCGKSA-N 307.398 -0.022 30 20 DBED C=CCNC(=O)NC(=O)CNCCCNC(=O)c1cnc(C)[nH]1 1155753811 UUUSIVXRIWASAC-UHFFFAOYSA-N 322.369 -0.561 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC=C(CCNC(=O)COC)CC1 1158987975 YMSXJYBWKOBUOT-CYBMUJFWSA-N 307.394 -0.091 30 20 DBED N#CCNC(=O)CNCCCNC(=O)c1c(F)cncc1F 1158989089 FCPDKHCMRZREPR-UHFFFAOYSA-N 311.292 -0.291 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@H]1CC(=O)N(CC)C1 1159270647 ZBHQOCBQAZYERV-LBPRGKRZSA-N 310.398 -0.747 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCCNCC(=O)NCCC 1160197843 KBHGQSXVHCJROE-AWEZNQCLSA-N 308.426 -0.294 30 20 DBED C=C(C)CNCC1(CCNC(=O)CNS(=O)(=O)NC)CC1 1166408591 CFFKYGQSTIGDTA-UHFFFAOYSA-N 318.443 -0.508 30 20 DBED C=CCOCCNCC1(CCNC(=O)[C@@H]2CNC(=O)N2)CC1 1166902790 MDNGGLWCOVDIFX-LBPRGKRZSA-N 310.398 -0.254 30 20 DBED C=CCCn1cc(C(=O)NCCCNCc2cnnn2C)nn1 1167991678 NYMXQCXWGBHCNN-UHFFFAOYSA-N 318.385 -0.108 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCCCN[C@@H](C)C(=O)NC 1170310373 HFSKGLRWSFRXIP-STQMWFEESA-N 324.425 -0.475 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@H]1CCN(C(=O)CC)C1 1170367761 GMWFRYHOQDYLHC-ZDUSSCGKSA-N 324.425 -0.357 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)c2cnn[nH]2)[C@H]1C 1179045692 PKMVAEZZMSELNN-DCAQKATOSA-N 304.354 -0.865 30 20 DBED COCC#CCN[C@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)[C@H]1C 1179710382 OJOQVCKPSNXLMA-AAEUAGOBSA-N 321.377 -0.732 30 20 DBED CS(=O)(=O)CCN[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 1182122477 ZOQSFXBVIYRNOL-LLVKDONJSA-N 310.379 -0.265 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC[C@@H](NCCN2CCNC2=O)C1 1182214666 FBHODPPQYCPKMC-IUODEOHRSA-N 310.398 -0.471 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](N[C@H](C)C(=O)NC(=O)NC)C1 1182521971 FURXRNLXYXIXMV-VXGBXAGGSA-N 324.381 -0.939 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)[C@H]2CCCC(=O)N2)C1 1183497287 VIQVYADPCLTWLY-JHJVBQTASA-N 322.409 -0.464 30 20 DBED COCC#CCNC[C@@H]1CCN(C(=O)CNC(N)=O)C[C@@H]1C 1183822022 HMATYZFTIFKMCI-STQMWFEESA-N 310.398 -0.621 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CN(Cc3nnnn3C)C[C@H]21 1187881927 HUMMITVFJQQRIQ-RWMBFGLXSA-N 318.381 -0.719 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)CC2OCCCO2)C1 1189817053 DSRYZQGOFZJKEU-CYBMUJFWSA-N 323.393 -0.578 30 20 DBED C#CCCCC(=O)N1CC[C@H](N(C)CCNS(C)(=O)=O)C1 1189926717 RAYQHUHVKCRJLF-ZDUSSCGKSA-N 315.439 -0.128 30 20 DBED C#CCCN(C)[C@@H]1CCN(C(=O)[C@@H](C)NS(=O)(=O)CC)C1 1190289591 HEYNNPGSBATMJR-CHWSQXEVSA-N 315.439 -0.130 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)C2=CCCC2)C1 1192172757 VRJZYIULGWJLRA-IACUBPJLSA-N 307.394 -0.051 30 20 DBED COCC#CCN(C)[C@H]1CCN(C(=O)[C@@]2(C)CCNC2=O)C1 1192326568 SCITVWOUMRINHX-BBRMVZONSA-N 307.394 -0.305 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)c2cn3c(n2)CCC3)C1 1193076721 ZCESVUSYENQEEX-TZMCWYRMSA-N 320.393 -0.193 30 20 DBED C#CCNC[C@H]1CN(C(=O)c2nccnc2C(N)=O)CCCO1 1202022099 UBPLPJROMCLZSB-NSHDSACASA-N 317.349 -0.971 30 20 DBED C#CCNC[C@H]1CN(C(=O)[C@H]2CCc3nncn3C2)CCCO1 1202124169 HHGDJJSDPMPJKJ-KBPBESRZSA-N 317.393 -0.319 30 20 DBED CC#CCNC1CCN(C(=O)[C@@H](C)NS(C)(=O)=O)CC1 1202666794 BOUYPCSNNQTKLO-LLVKDONJSA-N 301.412 -0.472 30 20 DBED CNS(=O)(=O)CCC(=O)N[C@@H]1C[C@H](NCC#N)C12CCC2 1202930422 UVPHAODHRCXDCK-WDEREUQCSA-N 314.411 -0.534 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CCN(C(=O)c2nc[nH]n2)CC1 1202992199 XGIIKHBTZPJGGY-SNVBAGLBSA-N 304.354 -0.863 30 20 DBED N#CCNC(=O)CNCC1CCN(C(=O)c2cocn2)CC1 1204780623 OZQTVNNWDAEKCB-UHFFFAOYSA-N 305.338 -0.244 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)[C@H]1C[C@@H]1C(F)F 1206923644 MUMAUGNWYQLLHO-VPOLOUISSA-N 314.336 -0.036 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)c2cnc(C)cn2)C1 1207134456 AXWXLMCEXDDARH-ZDUSSCGKSA-N 315.377 -0.271 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)C(C)(C)C(N)=O)[C@H](C)C1 1207643766 LLHFMLFWNNFDDV-IJLUTSLNSA-N 324.425 -0.375 30 20 DBED CNC(=O)NC(=O)CN[C@H]1CCCN(C(=O)C#CC(C)C)C1 1207995863 RFEJIFDBFFYDQJ-LBPRGKRZSA-N 308.382 -0.318 30 20 DBED CCC[C@@H](C(=O)N[C@@H]1CN(CC#N)C[C@H]1C)S(N)(=O)=O 1208105166 JJTZDPXCJLVWFO-MXWKQRLJSA-N 302.400 -0.596 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)CCCN(C)C)[C@H](C)C1 1208441437 GFKYPKCKOGXGQO-QLFBSQMISA-N 322.453 -0.097 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)CCCCC(N)=O)C1 1210575911 LNALKCIPYKDFIB-ZDUSSCGKSA-N 322.409 -0.638 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@@H](NCCNC(=O)C2CC2)[C@H](C)C1 1214605168 XUTYBRUVUGRWRM-UMVBOHGHSA-N 321.421 -0.013 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)C1CCC1 1217172564 OCMQHZSMNJAHFO-UONOGXRCSA-N 305.378 -0.553 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2conc2CC)C[C@@H]1O 1219605444 RYBSYXQVCCVFLS-DFBGVHRSSA-N 321.377 -0.063 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN(CC(=O)N(C)CC)C[C@@H]2O)C1 1220322590 AQGNDGNTHDCLMZ-OLZOCXBDSA-N 309.410 -0.018 30 20 DBED Cc1nn(C)c(C)c1C[C@@H](C)C(=O)N[C@@H]1CN(CC#N)C[C@@H]1O 1221020498 XEVNDIDEHZFWGV-KMUNFCNLSA-N 319.409 -0.100 30 20 DBED CN(C)S(=O)(=O)CC(=O)N1CC[C@H]2CCN(CC#N)[C@H]2C1 1224036738 LHFNMTZSNWYFSX-NEPJUHHUSA-N 314.411 -0.676 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)C[C@@H]2CCCO2)CC1 1226186659 AVBALJOHYIJTPT-AWEZNQCLSA-N 307.394 -0.115 30 20 DBED C#CCNC(=O)CC(=O)NC1CCN(Cc2nnc(C)o2)CC1 1226961806 NNLGNWWBEPOZMK-UHFFFAOYSA-N 319.365 -0.402 30 20 DBED C=CCOCCN1CCC(NC(=O)Cn2ncn(C)c2=O)CC1 1228087954 IVFNTHKMIULJIX-UHFFFAOYSA-N 323.397 -0.635 30 20 DBED COCCCC(=O)NCC[C@H]1CN(CC#N)CCS1(=O)=O 1230425574 NYLCDCQFIPCMJN-LBPRGKRZSA-N 317.411 -0.458 30 20 DBED C=CCNC(=O)CN1CC[C@H]1CN(C)C(=O)CNC(=O)C1CC1 1230844147 GXEORVSLTKNEBX-ZDUSSCGKSA-N 322.409 -0.653 30 20 DBED Cc1cnc(C(=O)NCCCN(C)CC(=O)NCC#N)cn1 1231408366 DBNHRRSWLWPCPI-UHFFFAOYSA-N 304.354 -0.524 30 20 DBED C#CCNC(=O)[C@H](C)N(C)CCCNC(=O)CCn1cccn1 1234115265 AEDKLJDKNKOHAG-AWEZNQCLSA-N 319.409 -0.151 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N1CCC(CC(N)=O)CC1 1254483540 PQKRZIWMRKXOCY-UHFFFAOYSA-N 317.411 -0.116 30 20 DBED COC[C@H](NC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1)C(C)C 1261924742 DHJHBDJHNIOVJP-KBPBESRZSA-N 322.409 -0.028 30 20 DBED C=CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)c2cnn(C)n2)C1 1267020361 CTYRIZYRDNFZBK-QWRGUYRKSA-N 306.370 -0.690 30 20 DBED C#CCOCCC(=O)N1C[C@@H]2CC[C@H](C1)N2C[C@H](O)COC 1267406187 XHTJNWWXEJNXBV-ZNMIVQPWSA-N 310.394 -0.291 30 20 DBED COCC#CCN1CC[C@H](NC(=O)[C@@H](C)CN2CCOCC2)C1 1318300919 GOOKWGSCYMPRHA-HOTGVXAUSA-N 323.437 -0.205 30 20 DBED CN1C[C@H](NC(=O)CCN/C(O)=C2/N=CC=CC2=O)CC1=O 1318697391 RFWBRYMICHFLJO-WMUVVQJISA-N 306.322 -0.750 30 20 DBED N#CCOc1cc(F)ccc1NC(=O)C(=O)NCCC(N)=O 1321604489 JZUPBUYZKRLVPD-UHFFFAOYSA-N 308.269 -0.342 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)NC[C@H]1CCCCS1(=O)=O 1323732121 VKZFXIKIJRRPAD-CYBMUJFWSA-N 324.402 -0.445 30 20 DBED N#CC1CCN(C(=O)C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)CC1 1326754565 ZDIAATAGAXGXKK-LLVKDONJSA-N 304.350 -0.372 30 20 DBED O=C(NCC#CCNC(=O)[C@@]1(F)CCOC1)[C@]1(F)CCOC1 1326836872 UHYSOJJQHXLUJP-OKILXGFUSA-N 316.304 -0.521 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)NC[C@H]1CCCOC1 1328955996 BTGKCGLTKFBRQO-LLVKDONJSA-N 318.395 -0.754 30 20 DBED Cc1cc(NC(=O)C(=O)NC[C@@H](C)S(C)(=O)=O)ncc1C#N 1329055304 QSWMIQPOBQATPS-SECBINFHSA-N 324.362 -0.251 30 20 DBED CC#CC[C@H](CO)NC(=O)NCCOCCS(C)(=O)=O 1329239830 OEHFVCDLNINXQU-LLVKDONJSA-N 306.384 -0.879 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)N2CC(OCC(F)F)C2)CCO1 1329538523 UGAXJUSGAANKBY-QMMMGPOBSA-N 303.265 -0.770 30 20 DBED C#CCOCCn1nnnc1N(CC)CCS(C)(=O)=O 1334470522 OIWCOZBEPUMXBB-UHFFFAOYSA-N 301.372 -0.806 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@H]2C[C@@H](C(=O)OC)C2)CC1 1335893765 LISVAQSISQEPNT-BETUJISGSA-N 321.377 -0.921 30 20 DBED C#CCN1CCN(c2nnc([C@]3(C)CNC(=O)C3)n2C)CC1 1341790137 SCYGFTBEDQGTSR-HNNXBMFYSA-N 302.382 -0.652 30 20 DBED CNC(=O)[C@@H]1CCC[C@H]1NC(=O)C(=O)N1CC[C@@](F)(C#N)C1 1343053706 REDMFVVCNAAOJM-GPCCPHFNSA-N 310.329 -0.519 30 20 DBED COCCN(C)CCCNC(=O)C(=O)N[C@@H]1CC[C@H](C#N)C1 1345688709 LYIKHUCKNLDHPP-QWHCGFSZSA-N 310.398 -0.121 30 20 DBED C#CCN(C)c1nnc([C@H]2CNC(=O)C2)n1C[C@H]1CCOC1 1348734797 CMVIJQBJJNGKJF-VXGBXAGGSA-N 303.366 -0.013 30 20 DBED C=CCn1cc(CNC(=O)C(=O)NC[C@@H]2CCC=CO2)nn1 1349025068 OQKTUBLRTPGEBN-LBPRGKRZSA-N 305.338 -0.111 30 20 DBED C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)CCN1C 1349214692 JENXECUXBYHTEL-JMSVASOKSA-N 308.382 -0.538 30 20 DBED N#Cc1cn(CCC(=O)N[C@H](CO)CC2CCC2)c(=O)nc1O 1362489074 LPLRNSOOWXCSNP-LBPRGKRZSA-N 320.349 -0.122 30 20 DBED N#Cc1ccc(CS(=O)(=O)CC(=O)N[C@@H]2COC[C@H]2O)cc1 1362566749 KMKPQGIBZRWGQK-CHWSQXEVSA-N 324.358 -0.651 30 20 DBED N#CCOc1ccccc1C(=O)N1C[C@H](C(N)=O)[C@@H](C(N)=O)C1 1362714107 YYXPPQXOQXWUBR-QWRGUYRKSA-N 316.317 -0.752 30 20 DBED COC(=O)c1cn(CC(=O)N2CCN(CCC#N)CC2)nn1 1362791262 LQBDBWZDMODTEG-UHFFFAOYSA-N 306.326 -0.877 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)NCCN2CCNC2=O)cc1 1363589769 AQPBOENHXQRZGU-UHFFFAOYSA-N 315.333 -0.571 30 20 DBED CNS(=O)(=O)N1CCN(C[C@@H](O)c2cccc(C#N)c2)CC1 1364733520 XMXJHHNOGIVLOY-CQSZACIVSA-N 324.406 -0.327 30 20 DBED COCCN(CCNC(=O)[C@@H]1CCC(=O)N1C)C(=O)[C@H](C)C#N 1384403805 KNWAVEFDOIFDQL-NEPJUHHUSA-N 324.381 -0.642 30 20 DBED CCN(C(=O)Cn1ncnn1)[C@@H]1CCN(C(=O)[C@@H](C)C#N)C1 1387978569 MBIHCJMUSBUMKT-WDEREUQCSA-N 305.342 -0.718 30 20 DBED CCCNC(=O)NC(=O)CNC1(CNC(=O)[C@H](C)C#N)CC1 1392890200 REGXNOUHSTYXEC-SNVBAGLBSA-N 309.370 -0.380 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1nccn2ccnc12 1410149308 MCGGWKTWZYJCGG-NXEZZACHSA-N 316.321 -0.904 30 20 DBED C=C(Cl)CN(CCNC(=O)[C@@H]1COC(=O)N1)CCOC 1411227764 XDZKKUSGQDETEH-JTQLQIEISA-N 305.762 -0.088 30 20 DBED C[C@@H](CN(C)C(=O)CN(C)C(=O)C1CC1)NC(=O)[C@H](C)C#N 1425108509 ZWGHIFHWKAJHCY-MNOVXSKESA-N 308.382 -0.022 30 20 DBED C[C@H](CCNC(=O)c1cc(=O)n(C)cn1)NC(=O)[C@H](C)C#N 1429059967 CMXHMVDEBXXTHK-NXEZZACHSA-N 305.338 -0.435 30 20 DBED CCN(C[C@@H]1CCCO1)C(=O)Cn1cc(C#N)c(O)nc1=O 1433630085 NJUIFLVHMJTZSN-NSHDSACASA-N 306.322 -0.152 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(N(CCO)CCn2cncn2)CC1 1440528805 JUKXFHPYACTQSD-ZDUSSCGKSA-N 320.397 -0.277 30 20 DBED C=CCOCC(=O)N1CC[C@H](NC(=O)c2ncn(C)n2)[C@H]1C 1488125009 RKZYAMBOWQPPFM-MNOVXSKESA-N 307.354 -0.263 30 20 DBED CCN(CCNC(=O)[C@@H](C)C#N)C(=O)[C@@H]1COCCN1CC 1529070275 VPAIWZNAXZYXPC-STQMWFEESA-N 310.398 -0.169 30 20 DBED CC(=O)OC(C)(C)C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[nH]1 1573548263 HLKWTXBZETZOOD-UHFFFAOYSA-N 304.270 -0.258 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N1CCC[C@@H](C(=O)O)C1 1588390948 WGCQTDFCJKOXQW-GFCCVEGCSA-N 310.350 -0.192 30 20 DBED C=CCN(C)c1nnc(Cn2cnc(-c3nn[nH]n3)n2)n1C 1588627796 KCJSZYXSIAJXOJ-UHFFFAOYSA-N 301.318 -0.743 30 20 DBED N#C[C@@H](CO)NC(=O)c1ccn(-c2cccc(-c3nn[nH]n3)c2)n1 1592664297 AYOFASRCZDUGMD-JTQLQIEISA-N 324.304 -0.333 30 20 DBED Cn1cc(C(=O)O)cc1S(=O)(=O)N1CC[C@@](O)(CC#N)C1 1600938575 GLTFXBDIUYUGCX-LBPRGKRZSA-N 313.335 -0.238 30 20 DBED N#CCC(=O)N1CCN(C(=O)c2cncc(C(=O)O)c2)CC1 1601060333 COCSSXMKHPGHLW-UHFFFAOYSA-N 302.290 -0.022 30 20 DBED C#CCOCCNC(=O)N1[C@H]2CC[C@H]1[C@@H](C(=O)OC)[C@@H]2C(=O)O 1602728657 ZUSVSRSTGNGESQ-NNYUYHANSA-N 324.333 -0.318 30 20 DBED C=C(CCC(=O)OC)C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)O 1602787330 BILYIEFSSZEPBN-VIFPVBQESA-N 319.335 -0.794 30 20 DBED C#CCNC(=O)[C@@H](C)OC(=O)c1cccc(-c2nn[nH]n2)n1 1609021275 NVZYYGBTNAKIGA-MRVPVSSYSA-N 300.278 -0.444 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC[C@@H](NC(=O)c2cn(C)nn2)C1 1713060241 IENHQKCWKLHKIH-VXGBXAGGSA-N 318.381 -0.853 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCC[C@H]1CNC[C@@H](O)COC 1733343022 TWLMNCYFRYUEDP-XHSDSOJGSA-N 323.437 -0.328 30 20 DBED COc1cnc(C(=O)NCCCN(C)CC(=O)NCC#N)nc1 1752016772 YLKCAPNEDMWCKO-UHFFFAOYSA-N 320.353 -0.823 30 20 DBED C#Cc1ccc(C(=O)NCCN2CCN(CC(N)=O)CC2)cc1 1752371583 YTCAJCNPUCMXAP-UHFFFAOYSA-N 314.389 -0.499 30 20 DBED CC(=O)N[C@H](C)C(=O)N1CCC[C@H](N(C)CC(=O)NCC#N)C1 1752986615 BLCVPPFGXHGLAM-YPMHNXCESA-N 323.397 -0.926 30 20 DBED CCC[C@@H](C(=O)N(C)[C@H]1CCN(CC#N)C1)S(N)(=O)=O 1753443596 ZTGSLSHGHJHQFZ-QWRGUYRKSA-N 302.400 -0.500 30 20 DBED C#CCCN[C@@H](CNC(=O)Cn1ccc(=O)n(C)c1=O)C(C)C 1753829916 DFCZDODOXKZWQU-ZDUSSCGKSA-N 320.393 -0.699 30 20 DBED C[C@H](CNCC(=O)NCC#N)NC(=O)CCc1cncs1 1754244455 BBKXWRDLWQSYNQ-SNVBAGLBSA-N 309.395 -0.190 30 20 DBED C=CCCC(=O)N[C@@H](C)CNCC(=O)N1CCC(C(N)=O)CC1 1754260509 CJQZMCIUNGWNTA-LBPRGKRZSA-N 324.425 -0.229 30 20 DBED C=CCNC(=O)CN1CC[C@@H]1CNC(=O)[C@H]1CN2CCC1CC2 1754483151 WRRYIVQKWLQLKI-CABCVRRESA-N 320.437 -0.179 30 20 DBED C#CCNC(=O)[C@@H](C)NC1(CNC(=O)C2(COC)CC2)CC1 1754520087 DPEIOJFIOIMRLS-GFCCVEGCSA-N 307.394 -0.211 30 20 DBED CC#CCNC[C@@H]1CCCN1C(=O)CCc1nnc(O)nc1O 1754613460 KQFOFOJCEDYPRA-NSHDSACASA-N 319.365 -0.181 30 20 DBED C#CCNC(=O)CN1CC([C@H](C)NC(=O)[C@@H](C)NC(=O)CC)C1 1755376793 KBCVVLHDPSVCHD-NWDGAFQWSA-N 322.409 -0.913 30 20 DBED C#CCNC(=O)[C@H](C)N1CC([C@@H](C)NC(=O)c2cnco2)C1 1755382449 OIRLBQVZIMZJKB-MNOVXSKESA-N 304.350 -0.137 30 20 DBED COCC#CCN[C@H](C)[C@@H]1CN(C(=O)c2ncn(C)n2)CCO1 1755441551 HJCCFXQIIAQZQO-OLZOCXBDSA-N 321.381 -0.716 30 20 DBED CC(C)(C)n1nnc(CN[C@@H](CO)CNC(=O)C#CC2CC2)n1 1755628957 YYZXVBMYAUCSKZ-GFCCVEGCSA-N 320.397 -0.592 30 20 DBED C#CCNC(=O)CN[C@@H]1C[C@@H](C)N(C(=O)c2ccn(CC)n2)C1 1755687011 RTKVCAKOJVNMFF-CHWSQXEVSA-N 317.393 -0.155 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@H](O)CN(C)C(=O)c1cc[nH]c1 1755781047 QMVPWMSHEPSBGX-AAEUAGOBSA-N 306.366 -0.825 30 20 DBED CN(C[C@H]1CCCN1C(=O)c1nnn(C)n1)C(=O)C#CC1CC1 1755922898 RIVRHMKLCWXZMZ-GFCCVEGCSA-N 316.365 -0.314 30 20 DBED C#CCNC(=O)CC(=O)N(C)[C@@H](C)CNC(=O)[C@H](OC)C1CC1 1756020657 LMVNFRCKSPETFA-XHDPSFHLSA-N 323.393 -0.486 30 20 DBED Cn1nncc1C(=O)N[C@@H](CO)CNC(=O)C#CC(C)(C)C 1756519247 CXPYMWCZMWEGOA-SNVBAGLBSA-N 307.354 -0.929 30 20 DBED O=C(C#CC1CC1)NC[C@@H](CO)NC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 1756519404 GZCJVWBPHHLRNC-RZLSGREXSA-N 320.389 -0.192 30 20 DBED CC(C)C#CC(=O)N(C)C[C@@H](O)CNC(=O)C[C@@H]1COC(=O)C1 1756662365 KOZNTVGSLPQEOH-STQMWFEESA-N 324.377 -0.466 30 20 DBED CC(C)C#CC(=O)NC[C@H](O)CN(C)C(=O)[C@@H]1CC(=O)N(C)C1 1756667207 OWGGWFFVZIPONA-OLZOCXBDSA-N 323.393 -0.940 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@H](NC(=O)[C@H]2CCNC(=O)C2)C1 1757166322 VNOIUAVJNIDHKP-XQQFMLRXSA-N 321.377 -0.996 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)[C@@H](C)CC)CCO2 1783046158 CIFQECBHTYSFDF-NOLJZWGESA-N 308.378 -0.144 30 20 DBED CC[C@@H](NC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC#N 1795083091 JHLLKOWVXIHCQB-GFQSEFKGSA-N 308.382 -0.512 30 20 DBED C=CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)N1 1795391335 VPIZWFZTJNNUOD-NWJSVONSSA-N 321.377 -0.569 30 20 DBED O=C(O)C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1C=CCN1)C2 1801988242 ALOZLKLEASUCDU-RNJOBUHISA-N 317.345 -0.759 30 20 DBED CC(C)(C#N)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CNC(N)=O 1804467864 WPRQABBTCMIPLO-JGPRNRPPSA-N 321.381 -0.157 30 20 DBED N#Cc1ccc(CN2CC[C@H](NC(=O)NCCO)C2=O)cc1 192207560 IXHPCKMNYYZIFA-ZDUSSCGKSA-N 302.334 -0.049 30 20 DBED C=C(Cl)CNC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 265496190 HEPBUFMGOSLTDQ-NXEZZACHSA-N 320.798 -0.109 30 20 DBED CNC(=O)[C@@H]1CN(C[C@@H](O)COc2ccc(C#N)cc2)CCO1 272908867 QZITXJUKBACWLD-HIFRSBDPSA-N 319.361 -0.255 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCCN(CC)CC)C1=O 283248724 BIHIDJFRDWRLJM-ZDUSSCGKSA-N 324.425 -0.310 30 20 DBED C=CCn1c(-c2ccco2)nnc1S(=O)(=O)C[C@H](O)CO 285086128 KSBGOWYYHDOPGI-SECBINFHSA-N 313.335 -0.149 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCCOCC2CC2)C1=O 285876586 LNJXOMBPFWNQIV-ZDUSSCGKSA-N 323.393 -0.226 30 20 DBED COC(=O)c1cc(C#N)c(=O)n(C[C@H](O)CN(C)C2CC2)c1 290785712 NPZUFGLMHPEQFF-CYBMUJFWSA-N 305.334 -0.038 30 20 DBED C#Cc1cccc(NC(=O)C(=O)NC[C@@H](OC)C(=O)OC)c1 293438322 RAAKJKNGCRSAAR-GFCCVEGCSA-N 304.302 -0.089 30 20 DBED C[C@H](O)CN1CCN(/C(O)=N/[C@@H]2CCc3ncnn3C2)[C@H](C)C1 329257319 BXOCGQAYTIDMFQ-FRRDWIJNSA-N 322.413 -0.106 30 20 DBED C/N=C(/O)[C@@H]1CN(/C(O)=N/C[C@@H]2CN(C)CCO2)CCO1 329421474 DTWREQUDQBKGRV-MNOVXSKESA-N 300.359 -0.482 30 20 DBED CC(C)N1CCN(/C(O)=N/C[C@@H]2CN(C)CCN2C)CC1=O 329477577 BZAQSPCLOYCHHJ-CYBMUJFWSA-N 311.430 -0.301 30 20 DBED CN1CN(/C(O)=N/[C@@H]2CCN(CC(F)(F)F)C2=O)CC1=O 329596358 CBKDQTVCKOZYOD-SSDOTTSWSA-N 308.260 -0.205 30 20 DBED CS(=O)(=O)NC[C@@H]1CCCN(/C(O)=N/[C@@H]2[C@H]3COC[C@H]32)C1 330003456 ZRORCRFWOQKKDS-NNYUYHANSA-N 317.411 -0.194 30 20 DBED CN1CCO[C@@H]2CN(CC(=O)N(CCC#N)CCC#N)C[C@H]21 331007377 MANOYVSRYXUXRY-ZIAGYGMSSA-N 305.382 -0.343 30 20 DBED N#CCCNC(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1 331210094 QYJHQRQIXGGULW-CYBMUJFWSA-N 308.382 -0.270 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@H]1CCCC(=O)N1 337165424 YQKLWFOOMGDGSZ-GHMZBOCLSA-N 302.400 -0.029 30 20 DBED C=CCN1CC[C@H](N(C)CC(=O)N(C)CC(=O)OCC)C1=O 337204360 HPVMWSOICARRBN-LBPRGKRZSA-N 311.382 -0.273 30 20 DBED CNC(=O)[C@@]1(C)CCN(S(=O)(=O)N(C)[C@@H](C)CC#N)C1 337810797 LQHIZRUSBPZJCV-JQWIXIFHSA-N 302.400 -0.077 30 20 DBED C[C@@H](C(=O)N1CCOCC1)N1CCN(CCOCCC#N)CC1 338993257 ZCXAEIOMXBBHOH-HNNXBMFYSA-N 324.425 -0.218 30 20 DBED C=CCOCCN1CCOC[C@@H]1C(=O)NCC(=O)OCC 339078541 DXOAAMNPVQTEIT-GFCCVEGCSA-N 300.355 -0.431 30 20 DBED C=CCN(CCOC)C(=O)C(=O)Nc1c(C(=O)OC)cnn1C 340364386 DWFFDKDOYJXMGZ-UHFFFAOYSA-N 324.337 -0.194 30 20 DBED CC[C@@H](C)[C@H](NC(=O)N1CCCC1)C(=O)NCC(=O)NCC#N 343511247 WOIWYMAFUHEPCJ-YPMHNXCESA-N 323.397 -0.038 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N[C@H](C)CN1CCCC1=O 354884251 CFPDFUYLBGQFPR-GFCCVEGCSA-N 311.382 -0.226 30 20 DBED C=CCNC(=O)Cn1c(=O)oc2cc(S(N)(=O)=O)ccc21 355384756 NHXSKBGNGPXCCS-UHFFFAOYSA-N 311.319 -0.456 30 20 DBED CCN(CCC#N)S(=O)(=O)N1C[C@H](CO)OC(C)(C)C1 420740136 FZCFRIVZXOSRLK-LLVKDONJSA-N 305.400 -0.062 30 20 DBED CC#CCCNC(=O)C(=O)Nc1cnc(OC)c(C(N)=O)c1 440713511 OIQCGQUKRQLMJA-UHFFFAOYSA-N 304.306 -0.343 30 20 DBED C[C@@](O)(CNC(=O)c1ccc(C#N)cn1)CN1CCOCC1 530886717 ANNDNAKJQHGYSH-OAHLLOKOSA-N 304.350 -0.234 30 20 DBED N#Cc1c[nH]c(=O)n(CC(=O)NC2(C#N)CCCCC2)c1=O 565833239 UCDZXGACXHFQQL-UHFFFAOYSA-N 301.306 -0.249 30 20 DBED COC(=O)[C@H]1CNC(=O)CN1Cc1ccc(C#N)cc1[N+](=O)[O-] 567994463 MZRQRCUXZSIHBO-GFCCVEGCSA-N 318.289 -0.060 30 20 DBED N#Cc1ccc(S(=O)(=O)NCC(=O)NC[C@H](N)C2CC2)cc1 571047550 CPTKIUKDPWBZKA-ZDUSSCGKSA-N 322.390 -0.310 30 20 DBED N#Cc1cc(F)ccc1CS(=O)(=O)N1C[C@@H](O)[C@H](CO)C1 573386804 PKMJHUCOPRFYIP-WCQYABFASA-N 314.338 -0.188 30 20 DBED C=CCOC[C@H](NC(=O)[C@H]1CC(=O)N(C2CC2)C1)C(=O)OC 582820400 BQSHAWQRLLONHI-JQWIXIFHSA-N 310.350 -0.142 30 20 DBED CCN(CC)CCCNC(=O)C(=O)NC1CCN(CC#N)CC1 588124673 GGDQJFWRQGBPEH-UHFFFAOYSA-N 323.441 -0.061 30 20 DBED C[C@H]1CN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)C[C@@H]1O 589471961 OCGXLBNRBPPOBS-GWCFXTLKSA-N 323.374 -0.324 30 20 DBED C=CCn1cc(C(=O)N[C@H](C)C(=O)N[C@@H](C)C(=O)OCC)nn1 592625928 KJCDPYXJARWWKL-ZJUUUORDSA-N 323.353 -0.350 30 20 DBED C=CCCSCCNC(=O)C(=O)NCCN1CCNCC1 595281960 NNQCOVRTVONFSR-UHFFFAOYSA-N 314.455 -0.567 30 20 DBED CN(CCOCCNc1cc(C#N)ncn1)c1cc(C#N)ncn1 596501171 CPBPYEQIQMCDJD-UHFFFAOYSA-N 324.348 0.575 30 20 DBED N#CCCN1CCN(C(=O)Cn2nc3ccccn3c2=O)CC1 602208917 RSDQJOJMAKTAHK-UHFFFAOYSA-N 314.349 -0.446 30 20 DBED CN(CCCNS(=O)(=O)CCCCC#N)S(C)(=O)=O 609464930 GRHMZGRJMLMGNW-UHFFFAOYSA-N 311.429 -0.119 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)OCc2nc(CC)no2)C1=O 726042532 DGEYLSGEXFILRS-UHFFFAOYSA-N 322.277 -0.348 30 20 DBED COC(=O)N1CCC[C@H](Nc2c(C#N)c(=O)n(C)c(=O)n2C)C1 726594915 IUPOVUROZCLUHH-VIFPVBQESA-N 321.337 -0.402 30 20 DBED C[C@H](Oc1ccccc1C#N)C(=O)NS(=O)(=O)CC(=O)O 736708493 SAMLLUXTBFXDCM-QMMMGPOBSA-N 312.303 -0.144 30 20 DBED C[C@H]1CC(=NC(=O)CCn2cc(S(N)(=O)=O)cn2)NO1 765385849 XLKROWUXOZYIGY-ZETCQYMHSA-N 301.328 -0.841 30 20 DBED N#Cc1ccc(NCCNC(=O)C(=O)NCc2cc[nH]n2)nc1 774147039 BHJANPOIWCDWBG-UHFFFAOYSA-N 313.321 -0.479 30 20 DBED C#C[C@@H](NC(=O)N(C)CC(=O)N1CCOCC1)[C@H]1CCCO1 776226895 HRSMNSWQTRDLEC-CHWSQXEVSA-N 309.366 -0.333 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)[C@H]1COCCN1CC(F)(F)F 801340760 NMNPSCJSROPGSU-VHSXEESVSA-N 322.283 -0.069 30 20 DBED COC(=O)C[C@@H](C)C(=O)NS(=O)(=O)c1cncc(C#N)c1 813982443 ZVLCLRMFLIQXFJ-MRVPVSSYSA-N 311.319 -0.043 30 20 DBED C[C@](C#N)(CC(=O)O)C(=O)NC[C@H]1CCCN1S(C)(=O)=O 819841903 GPGVMUPRXTXZDO-BXKDBHETSA-N 317.367 -0.469 30 20 DBED C#CCN1CCC(C(=O)N(C)CC(=O)N2CCN(C)CC2)CC1 825297575 ATPAQNLNLORRFN-UHFFFAOYSA-N 320.437 -0.436 30 20 DBED N#Cc1nc(NC(=O)[C@@H]2[C@H]3CCCO[C@H]32)[nH]c1-c1nn[nH]n1 826382384 BRJYUGLSWVGENS-SLBFFKMLSA-N 300.282 -0.175 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N[C@@H]1CCc2c[nH]nc2C1 828239233 NEOHZRYADQKQFO-CYBMUJFWSA-N 318.377 -0.119 30 20 DBED C#CCCN1CCC(NC(=O)[C@@H](C)NS(=O)(=O)CC)CC1 828477542 DJVUZSBRKLBFMK-GFCCVEGCSA-N 315.439 -0.082 30 20 DBED C[C@@H](CCCN)NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 834813893 ZGGIWFKAKZIXOH-JTQLQIEISA-N 324.406 -0.031 30 20 DBED C=CCN1CCN(CN(C)[C@H]2CCN(S(C)(=O)=O)C2)C1=O 840078403 PMJDVDGUZBTTFZ-LBPRGKRZSA-N 316.427 -0.167 30 20 DBED C=CCNC(=O)CNC(=O)C1=C(C)N(C)c2nnnn2[C@H]1C 847673224 LVDATOVOQOXJIL-VIFPVBQESA-N 305.342 -0.624 30 20 DBED NC(=O)[C@]1(NC(=O)C#Cc2ccc3c(c2)OCO3)CCOC1 848318435 RKHZHNDTPQMOOI-HNNXBMFYSA-N 302.286 -0.473 30 20 DBED C=CCCONC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C 856030737 OZNQJBSPWKFVEA-UHFFFAOYSA-N 306.322 -0.187 30 20 DBED C#CCNC(=O)[C@@H](C)OC(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1 859899386 MHNCVKBWGMDDKR-MNOVXSKESA-N 318.333 -0.546 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N1CC[C@](COC)(C(=O)O)C1 868335261 HUOVSBRRJYUHSM-INIZCTEOSA-N 320.345 -0.579 30 20 DBED C#CC[C@@H](CO)NS(=O)(=O)N1CCC[C@@H](C(=O)OCC)C1 882342716 HJYAKUQXUDKVDD-NEPJUHHUSA-N 318.395 -0.520 30 20 DBED C#CC1(O)CN(S(=O)(=O)c2cc(C(=O)OC)oc2CC)C1 908228807 RJMKSYOIWIUFKI-UHFFFAOYSA-N 313.331 -0.003 30 20 DBED CNC(=O)[C@@H](C#N)C(=O)CN1C(=O)NC2(CCCCC2)C1=O 917002036 IUVMLFRFEBWRMH-VIFPVBQESA-N 306.322 -0.304 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)CN2C(=O)CNC2=O)[C@@H](C)C1 944790932 SCPPEIYQNRUOFC-RYUDHWBXSA-N 308.382 -0.059 30 20 DBED NC(=O)CC(=O)N1CC[C@H]2[C@@H](CCN2C(=O)C#CC2CC2)C1 945914096 NMOMOQCPOSVLAR-STQMWFEESA-N 303.362 -0.275 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(NC(=O)c2cn(C)c(=O)n2C)CC1 948106412 NIUFQRFLIYTAPQ-JTQLQIEISA-N 319.365 -0.396 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H]2CCN2C(=O)[C@H]2COCCO2)c1 949283011 DZHUHIADPSXQFI-DGCLKSJQSA-N 318.333 -0.368 30 20 DBED CNC(=O)[C@H](C)N1CCOC2(CCN(C(=O)[C@H](C)C#N)CC2)C1 949319875 DDTKFLLIBXFMCT-OLZOCXBDSA-N 322.409 -0.026 30 20 DBED C[C@@H]1CN(C)C[C@H](C(=O)NC[C@H]2CCN2C(=O)C#CC2CC2)O1 950788088 CLENUQNHJTXPDJ-BPLDGKMQSA-N 319.405 -0.164 30 20 DBED NC(=O)c1ccc(C(=O)NC[C@H]2CCN2C(=O)C#CC2CC2)[nH]1 952155186 GAAUESUKUUSGMW-LLVKDONJSA-N 314.345 -0.142 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CN(C(=O)c2nc[nH]n2)C1 955366111 KPHDCNWBUWEBNC-MNOVXSKESA-N 305.338 -0.321 30 20 DBED Cc1cnc2c(C(=O)NC[C@H]3CN(CC#N)C[C@@H]3O)cnn2c1 958445125 VFQUVPPUEZFTTA-AAEUAGOBSA-N 314.349 -0.416 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CN(C(=O)CO[C@H]3CCOC3)C[C@H]2C1 961572886 WSRAWHMULHQYSY-MQYQWHSLSA-N 321.377 -0.132 30 20 DBED C#CCCN1C[C@H]2C(NC(=O)c3ccoc3CC(N)=O)[C@@H]2C1 961597223 GIFKDVJVZWAKGJ-VXGBXAGGSA-N 301.346 -0.009 30 20 DBED CS[C@H](C)C(=O)N1C[C@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 962138504 PEVIRRNPDAODJS-FXAINCCUSA-N 322.390 -0.061 30 20 DBED C=CCN1C[C@H]2C(NC(=O)CN3C(=O)NC(=O)C3(C)C)[C@@H]2C1 962193972 PVAPXDIKEPKMPZ-NXEZZACHSA-N 306.366 -0.451 30 20 DBED C=C(Cl)CN1C[C@@H]2C(NC(=O)CN3C(=O)CNC3=O)[C@H]2C1 962480757 DPBVJORIJXMNEK-IUCAKERBSA-N 312.757 -0.663 30 20 DBED Cc1nn(C)cc1C(=O)NC[C@H]1COCCN1C(=O)[C@@H](C)C#N 964135532 OPIBDAODFSLURE-JQWIXIFHSA-N 319.365 -0.155 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)CN1CCCC1=O 966402556 SYMNJPFRHNNCQE-TZMCWYRMSA-N 317.389 -0.015 30 20 DBED C=CCN[C@@H]1CCN(C(=O)CN2CCCCS2(=O)=O)C1 969353813 WHIWNVNMQDAMAS-GFCCVEGCSA-N 301.412 -0.212 30 20 DBED C[C@@H](NC(=O)[C@H]1CN2CC3CC2(CO1)C3)C1CN(CC#N)C1 970190070 LBGZTCWCDHCEHV-SHOKAGSKSA-N 304.394 -0.190 30 20 DBED C=CCCN1C[C@H]2CC[C@H]1CN2C(=O)Cn1c(O)nnc1O 972058516 NEWCHNZXBURDLK-WDEREUQCSA-N 307.354 -0.059 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CCC(=O)N2)C1 973484850 LIOCKKFNVGYVRI-KVSVUVNWSA-N 321.377 -0.381 30 20 DBED C#CCN1C[C@H]2[C@H](CNC(=O)c3cnc(O)n(C)c3=O)[C@H]2C1 978593038 GMMSZFBJGWPGIU-WLLOZRIZSA-N 302.334 -0.973 30 20 DBED C#Cc1ccc(C(=O)N2CC(NC(=O)c3cnnc(O)c3)C2)cn1 994046353 BNWUHVXWZUOBIK-UHFFFAOYSA-N 323.312 -0.187 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)c2ccc(O)nn2)C1 999988737 UYPMWDDJSVJFCW-PWSUYJOCSA-N 318.333 -0.286 30 20 DBED C[C@H](C(=O)NC1CN(C(=O)C#CC2CC2)C1)[C@H]1CCC(=O)N1 1000345510 HEXATGGNSONLQP-GXFFZTMASA-N 303.362 -0.359 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2C(CNC(=O)c3cncnc3O)[C@H]2C1 1009179744 XMBSDXKOTJCPJI-GGZOMVNGSA-N 315.333 -0.224 30 20 DBED C#Cc1ccc(C(=O)NCC2[C@@H]3CN(C(=O)C(N)=O)C[C@@H]23)cc1 1009325044 RPACMRVRKAGLGX-KBPBESRZSA-N 311.341 -0.413 30 20 DBED C[C@@H]1C[C@@H](C(=O)N2CCN(C(=O)C#CC3CC3)CC2)CC(=O)N1 1011110938 VDJMSORSISIPPG-TZMCWYRMSA-N 317.389 -0.015 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2C[C@H](C)N(C(=O)CC(N)=O)C2)nc1 1012407437 HELDGSQUYQUHFE-JQWIXIFHSA-N 314.345 -0.343 30 20 DBED C#CCCN1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CC[C@@H](C(N)=O)O1 1017938276 BDASKNGFNMXRTH-RFQIPJPRSA-N 305.378 -0.282 30 20 DBED C[C@@H]1CC[C@H](NC(=O)c2nnn(C)n2)CN1C(=O)C#CC1CC1 1018336841 ZATGNXLZWXFINK-PWSUYJOCSA-N 316.365 -0.267 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CC(N)=O)[C@H]1C 1020136313 GNSZNYATKASCFD-USZNOCQGSA-N 309.366 -0.442 30 20 DBED N#Cc1c[nH]c(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CCOC3)C2)c1 1023158046 XYGRETGIJRHPOO-CYZMBNFOSA-N 318.333 -0.776 30 20 DBED Cc1nc(C(=O)NC[C@@H]2CCCN2CC#N)nn1-c1nc[nH]n1 1028061456 QXGJFIZCXULJCN-JTQLQIEISA-N 315.341 -0.588 30 20 DBED N#CCN1CC[C@@H](CNC(=O)C2CC3(C2)CS(=O)(=O)C3)C1 1028626055 BLRFWVCFZGNUFB-NSHDSACASA-N 311.407 -0.227 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NC1CN(Cc2nc(=O)n(C)[nH]2)C1 1030333217 BKTJSNWEUODMJH-NEPJUHHUSA-N 321.381 -0.610 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN([C@@H](C)c2nnnn2C)C1 1030977023 AUOUXNDRCFPLEE-WCQGTBRESA-N 306.370 -0.337 30 20 DBED C#CCCN1CC[C@@H](N(CC)C(=O)[C@@H]2CCS(=O)(=O)N2)C1 1034043390 DWZRNRXHQHUTSD-OLZOCXBDSA-N 313.423 -0.376 30 20 DBED C#CCN[C@H]1CCN(C(=O)c2cnc(O)n(C)c2=O)C[C@H]1C 1036137917 AWBIBMFJVMPAPA-PWSUYJOCSA-N 304.350 -0.441 30 20 DBED CC#CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)c1cn(C)c(=O)nc1O 1037717409 YBAGBIXMTTVDCH-USWWRNFRSA-N 302.334 -0.688 30 20 DBED CC[C@@H]1CN(C(=O)Cn2c(O)nnc2O)CC[C@@H]1NCC#N 1037970450 SVRUVSTYSIGFCS-ZJUUUORDSA-N 308.342 -0.570 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2CCN2Cc2nnnn2C)nc1 1038943856 YFRMOYFXYDUULO-LBPRGKRZSA-N 311.349 -0.409 30 20 DBED CC(C)C#CC(=O)N1CC[C@@](O)(CNC(=O)CC(C)(C)O)C1 1039588389 DJZHKFQEDWNXDN-MRXNPFEDSA-N 310.394 -0.114 30 20 DBED C=C(C)CCC(=O)NC[C@]1(O)CCN(C(=O)c2cnn(C)n2)C1 1039986296 BFUQLBVRMVACAH-OAHLLOKOSA-N 321.381 -0.135 30 20 DBED COCC(=O)N1CC[C@H]2OCCN(c3cnc(C#N)cn3)[C@H]2C1 1039990095 NXFRJYNPCMGNPS-QWHCGFSZSA-N 317.349 -0.199 30 20 DBED Cc1cc(C(=O)N2CC[C@@](O)(CNC(=O)[C@H](C)C#N)C2)n[nH]1 1040759600 BNMKXLAYFLMCOS-YMTOWFKASA-N 305.338 -0.429 30 20 DBED N#Cc1cnccc1N1C[C@@H](O)[C@H](NC(=O)c2ccnnc2)C1 1041358169 WEMIKTFFGHVVFS-TZMCWYRMSA-N 310.317 -0.277 30 20 DBED C#CCN1CC[C@@]2(CCN(C(=O)CC[C@H]3NC(=O)NC3=O)C2)C1 1041824175 UAZWLUVIGUWFQA-MLGOLLRUSA-N 318.377 -0.468 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)C[C@](C)(O)C=C)C1 1042802599 LVBMMXYXNRXWLU-OAHLLOKOSA-N 308.378 -0.194 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)Cc2cnn(C)c2)C1 1042936232 CDZMHOINGAAODZ-UHFFFAOYSA-N 318.377 -0.689 30 20 DBED C=CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2ccn(C)n2)C1 1043574563 GCXOOUULVDTKQL-NSHDSACASA-N 322.365 -0.686 30 20 DBED Cc1[nH]ccc1C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@@H]1O 1043882538 AAQAKWYGDIGVQE-OLZOCXBDSA-N 312.333 -0.036 30 20 DBED CC(C)(C)C#CC(=O)N1CC(O)(CNC(=O)c2ncccn2)C1 1045209073 PLLYQEZJHYBDJH-UHFFFAOYSA-N 316.361 -0.171 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)[C@H](C)c2cncnc2)C1 1045564208 DSTREDPYQHQQGQ-GHMZBOCLSA-N 317.349 -0.571 30 20 DBED COc1cccc(C(=O)NCC2(O)CN(C(=O)[C@@H](C)C#N)C2)n1 1045655397 KHJYTNYKKVFRMM-JTQLQIEISA-N 318.333 -0.447 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(NC(N)=O)c2)C1 1047624754 YCUHMOFVSPHEGJ-KBPBESRZSA-N 316.361 -0.073 30 20 DBED C=C[C@](C)(O)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cocn2)C1 1048543920 RLEWJMZZUSEIGK-HUBLWGQQSA-N 323.349 -0.355 30 20 DBED C#CCCCC(=O)N(C)[C@H]1CN(C(=O)[C@H]2CCCO2)C[C@@H]1O 1048750197 NBSVXPCNMQATDG-MELADBBJSA-N 308.378 -0.001 30 20 DBED CC(C)C#CC(=O)N(C)[C@H]1CN(C(=O)c2cnns2)C[C@@H]1O 1048811318 UTKZNSPVCKQFIV-QWRGUYRKSA-N 322.390 -0.159 30 20 DBED C#CCCN1C[C@H]2CN(C(=O)C[C@H]3CC(=O)NC3=O)C[C@H]2C1 1049254133 IEBYXHMZUXQNPR-UPJWGTAASA-N 303.362 -0.547 30 20 DBED C=CCC1(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)C(N)=O)C2)CCC1 1049365914 KVCPWIAXRXDXFB-QWRGUYRKSA-N 309.366 -0.752 30 20 DBED C=CCCOCC(=O)N[C@H](C)[C@@H]1CCN(C(=O)CC(N)=O)C1 1050350306 PJGYBGGBBAAUCR-VXGBXAGGSA-N 311.382 -0.192 30 20 DBED C=CCOCC(=O)N[C@@H](C)[C@H]1CCN(C(=O)c2cnn[nH]2)C1 1051130620 SOOUCCXFRZCHKB-QWRGUYRKSA-N 307.354 -0.026 30 20 DBED C=CCCN1CCN([C@@H]2CCN(C(=O)Cn3cnnn3)C2)CC1 1051977757 FOJBPIOSTLAYRM-CQSZACIVSA-N 319.413 -0.532 30 20 DBED C=CCn1cccc1C(=O)N1C[C@@H](C)[C@H](CNC(=O)C(N)=O)C1 1052814102 LDYGDIKVUPDQLY-VXGBXAGGSA-N 318.377 -0.016 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)c1cnnc(O)c1)CCO2 1053297038 HTMYZARZZRKUMX-UHFFFAOYSA-N 302.334 -0.268 30 20 DBED C=C(Cl)CN1CC2(C1)CN(C(=O)Cn1cncn1)CCO2 1053525383 DAFHXXDTJIPNGL-UHFFFAOYSA-N 311.773 -0.056 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)[C@@H]3COCCN3C)CO2)C1 1053782329 NBCWLYWCHYOWIU-KGLIPLIRSA-N 307.394 -0.700 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)c3cccc(C(N)=O)n3)CO2)C1 1054020718 SNTVRCTZQXWSCJ-SNVBAGLBSA-N 315.333 -0.723 30 20 DBED C=CCCOCC(=O)N1CCC[C@@](CO)(NC(=O)COC)C1 1055708304 ZGLZJRYLDOMTPC-OAHLLOKOSA-N 314.382 -0.305 30 20 DBED CN1CCOC[C@@H]1C(=O)N1CCN(c2ccc(C#N)nc2)CC1 1055754682 YQVBSVXMSXLTKD-OAHLLOKOSA-N 315.377 -0.068 30 20 DBED C[C@@H]1OCCO[C@@H]1C(=O)N1CCN(c2nccnc2C#N)CC1 1056067332 GEUYKTTWNZETHU-AAEUAGOBSA-N 317.349 -0.199 30 20 DBED C[C@H](C#N)C(=O)N[C@]1(CO)CCCN(C(=O)c2cnn(C)n2)C1 1056097985 YAQIZVRPIKMHEV-QMTHXVAHSA-N 320.353 -0.942 30 20 DBED C=CCCOCC(=O)NCCN(CCO)C(=O)[C@@H]1CCOC1 1057147517 LHZUVRXNEQCBRH-CYBMUJFWSA-N 314.382 -0.447 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)[C@]1(C)CCC(=O)N1 1057171218 SDTJCZZPPDMQOY-HNNXBMFYSA-N 311.382 -0.442 30 20 DBED Nc1nccnc1C(=O)NCCN(CCO)C(=O)C#CC1CC1 1057531260 KXZNHZGWNFJIQA-UHFFFAOYSA-N 317.349 -0.977 30 20 DBED Cc1n[nH]cc1C(=O)NCCN(CCO)C(=O)C#CC1CC1 1057538264 ZGSIBDHNDUWHDH-UHFFFAOYSA-N 304.350 -0.318 30 20 DBED Cc1ccnn1CC(=O)N(CCO)CCNC(=O)[C@H](C)C#N 1057612863 YFOLHLRRDWYNBL-LLVKDONJSA-N 307.354 -0.712 30 20 DBED N#Cc1cncc(N2CCC[C@H](NC(=O)Cn3nccn3)C2)n1 1058201116 GZIUNUSDFLHHCF-NSHDSACASA-N 312.337 -0.275 30 20 DBED C=C1CC(C)(C(=O)NCCN(CCO)C(=O)[C@@H]2CCC(=O)N2)C1 1058243790 XPROUZCYISJUQZ-LBPRGKRZSA-N 323.393 -0.442 30 20 DBED N#Cc1nccnc1N1CC[C@@H](NC(=O)C[C@H]2COC(=O)C2)C1 1058339529 UWFZKVYJIUWHDN-GHMZBOCLSA-N 315.333 -0.004 30 20 DBED C=C(C)C[C@@H](C)C(=O)N(CCO)CCNC(=O)c1cn(C)nn1 1058463640 DNLOKDPVYHDXJX-GFCCVEGCSA-N 323.397 -0.032 30 20 DBED N#Cc1nccnc1NC[C@H]1CCCN(C(=O)CC(N)=O)C1 1060009090 ILLYJSREBBUEDI-SNVBAGLBSA-N 302.338 -0.126 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CC[C@H](NC(=O)Cn2ncnn2)CC1 1060737806 CMGWURGIJKFYTA-IJLUTSLNSA-N 319.369 -0.376 30 20 DBED Cn1cnc(C(=O)NC[C@@H]2CCCN2c2ccc(C#N)nn2)n1 1061348714 KAWSXXSAEXTVBK-NSHDSACASA-N 312.337 -0.124 30 20 DBED C=CCOCC(=O)N1CCOC[C@@H]1CNC(=O)c1ncccn1 1061810416 UOVBIJWNOWYOPH-LBPRGKRZSA-N 320.349 -0.364 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)CCCN(C)C 1061827904 NJOGPZXDFOCQFJ-CHWSQXEVSA-N 310.398 -0.169 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)CCn1cncn1 1061847529 SXLGOXMBMAXCOW-VXGBXAGGSA-N 320.353 -0.829 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)CCc1cnn[nH]1 1061912001 MQUXBLBATMQZQU-PWSUYJOCSA-N 320.353 -0.759 30 20 DBED Cc1cc(C#N)nc(N2C[C@@H]3C[C@H]2CN3C(=O)Cc2nc[nH]n2)n1 1062527892 NOCYEIXOOYEHNX-RYUDHWBXSA-N 324.348 -0.193 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)[C@H]2CCNC(=O)C2)CCC1 1062794542 JVQVWAKVOUXHMT-MNOVXSKESA-N 306.366 -0.173 30 20 DBED C=CCCCC(=O)NC[C@H]1CN(C(=O)[C@@H]2CCC(=O)N2)CCO1 1065400886 IFLUIZIMBKJSEK-STQMWFEESA-N 323.393 -0.035 30 20 DBED C=CCCCC(=O)N1CCO[C@@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 1065546409 WXYYVEKMLBEWBN-RYUDHWBXSA-N 324.381 -0.632 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCN([C@H]2CCN(C(C)=O)C2)CC1 1065675465 QRJOGWMIRLOAFV-ZFWWWQNUSA-N 307.394 -0.210 30 20 DBED N#Cc1cnc(N2C[C@H]3CN(C(=O)c4cnon4)C[C@H]3C2)cn1 1066019950 GTYITFMRAGTHOG-AOOOYVTPSA-N 311.305 -0.060 30 20 DBED CCc1nc(C#N)cc(N2CCC[C@H](NC(=O)C(N)=O)[C@@H]2C)n1 1069403601 BZYOWLOUIHKLLA-ONGXEEELSA-N 316.365 -0.131 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H]2CC(=O)N(C)C2)C1 1069941998 ICPOVTGQCUPOSS-UPJWGTAASA-N 318.381 -0.716 30 20 DBED N#CCN[C@@H]1CN(C(=O)Cc2cc[nH]n2)C[C@@H]1n1ccnn1 1070164635 JJZHCDWJRYZQDN-NEPJUHHUSA-N 300.326 -0.891 30 20 DBED C#CCN1CCOC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CCCO2)n1 1070578571 HRHJBEQWAJMUTR-VXGBXAGGSA-N 319.365 -0.394 30 20 DBED C[C@@H]1C[C@H]1C(=O)NCc1nc([C@@H]2COCCN2CC#N)n[nH]1 1070587953 KKEMOCIUFYHCIX-MXWKQRLJSA-N 304.354 -0.026 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CCCN(C(=O)C2(NC(N)=O)CC2)C1 1070633170 XSHWEGFVHVQRSX-NXEZZACHSA-N 307.354 -0.546 30 20 DBED CN1CCO[C@@H](C(=O)N2C[C@H]3C[C@@H]4CN(CC#N)C[C@]3(C2)O4)C1 1070780464 VMUWXGZYHPZDSL-IXYNUQLISA-N 320.393 -0.858 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)c4cn(CC)nn4)C[C@@]3(C1)O2 1070872000 KEFATDPHIOTSIQ-XJKCOSOUSA-N 315.377 -0.154 30 20 DBED C=CCOCC(=O)N1C[C@@H](C)[C@@H](NC(=O)Cn2cnnc2O)C1 1071808904 MUACTUKZGJKYFC-MNOVXSKESA-N 323.353 -0.851 30 20 DBED C=CCOCC(=O)N1C[C@@H](NC(=O)CCc2cnn[nH]2)[C@H](C)C1 1071812852 WMLXWMZTIDHWLP-DGCLKSJQSA-N 321.381 -0.097 30 20 DBED C#CCN1C[C@@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)CC[C@H]1C 1071865756 LLUXFZDNGZPMPF-MNOVXSKESA-N 320.349 -0.991 30 20 DBED CC#CCN1CCCO[C@@H](CNC(=O)[C@H]2CCCNC2=O)C1 1073649207 PHHQSKZMJRYAJP-KBPBESRZSA-N 307.394 -0.257 30 20 DBED Cn1ccc(C(=O)NC[C@H]2CN(CC#N)CCCO2)cc1=O 1073664775 OQRXQPHEEZGRRR-ZDUSSCGKSA-N 304.350 -0.270 30 20 DBED Cc1nc(O)[nH]c1C(=O)N1CC[C@H]2OCCN(CC#N)[C@@H]2C1 1074271734 QYKKECVPOMTIRD-GHMZBOCLSA-N 305.338 -0.137 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)c2nc3ncc(C)cn3n2)C1 1077200378 OBGQEKVEVWAJQP-VXGBXAGGSA-N 316.365 -0.216 30 20 DBED O=C1NCCC[C@@H]1NC[C@@H]1CN(C(=O)C#CC2CC2)CCCO1 1078398916 VDVANMJDWDWBLD-CABCVRRESA-N 319.405 -0.115 30 20 DBED CN1C(=O)CN(CC(=O)N[C@H]2C[C@H](NCC#N)C23CCC3)C1=O 1078783901 OVAAKMQMFXLTOY-QWRGUYRKSA-N 319.365 -0.579 30 20 DBED C=C[C@@](C)(O)CC(=O)N(CC)C1CN(C(=O)Cn2ncnn2)C1 1079686484 FGIGHOOGESVVEI-CQSZACIVSA-N 322.369 -0.941 30 20 DBED C#CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)CNC(=O)NC)C1 1079778387 YDXHSEVRXTXQFN-LLVKDONJSA-N 324.381 -0.987 30 20 DBED CCN(C(=O)c1cnn(C)n1)C1CN(C(=O)CSCC#N)C1 1080095376 MPCVMPNXFYCQMX-UHFFFAOYSA-N 322.394 -0.255 30 20 DBED Cc1cc(C(=O)NC2(CO)CCN(C(=O)[C@H](C)C#N)CC2)n[nH]1 1080748859 PWAWUCKCSMUJNT-SNVBAGLBSA-N 319.365 -0.039 30 20 DBED C=C[C@H](C)[C@H](C)C(=O)N1CCC(CO)(NC(=O)C(N)=O)CC1 1080978499 GFMKIYPNMCTBLT-QWRGUYRKSA-N 311.382 -0.600 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)c2csnn2)C[C@@H]1O 1081463828 SHBAIFXDLWGASW-JQWIXIFHSA-N 322.390 -0.253 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cncn2C)C1 1081582701 LBFJDLOGCZEHBV-YPMHNXCESA-N 306.366 -0.065 30 20 DBED CC#CCN1C[C@@H](NC(=O)C[C@H]2CCC(=O)NC2)[C@H](OC)C1 1081792047 GMOVDABDNMMJAM-MGPQQGTHSA-N 307.394 -0.259 30 20 DBED COCCn1nccc1C(=O)N[C@@H]1CN(CC#N)C[C@H]1OC 1081834943 ZMWMBHDCASWOKV-DGCLKSJQSA-N 307.354 -0.518 30 20 DBED C=C(C)CN1C[C@@H](NC(=O)c2cn(C)c(=O)cn2)[C@H](OC)C1 1081960569 HGEUOYGTPSQHJF-DGCLKSJQSA-N 306.366 -0.215 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCN(CC(F)(F)F)C2)C1 1083729600 KVKQNALNFUQUDJ-TUAOUCFPSA-N 319.327 -0.335 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)c2ncn(C(C)(C)C)n2)C1 1083778760 XBANRYJVGLQUAV-NEPJUHHUSA-N 305.382 -0.169 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2nnc(O)c3ccccc23)C1 1083981753 ITHABRVHOKFJJX-OLZOCXBDSA-N 312.329 -0.257 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)[C@H](Cn3cccn3)N(C)C)[C@@H]2C1 1084405344 IQUYCPKBQOJKEZ-OAGGEKHMSA-N 315.421 -0.021 30 20 DBED C=CCN1CC[C@@H]1CN(C)C(=O)c1c[nH]nc1S(N)(=O)=O 1085810536 HJRINVNRTMCQKV-SECBINFHSA-N 313.383 -0.611 30 20 DBED CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N(C)C[C@H]2CCN2CC#N)O1 1085817556 BJVZZEJUAFQWRW-FRRDWIJNSA-N 308.382 -0.322 30 20 DBED C=CCCN1CC[C@H](NC(=O)c2cccn3nnnc23)[C@H](O)C1 1090296191 XFEQOIFKGCDVPT-QWHCGFSZSA-N 316.365 -0.135 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H]2CN(c3ncccn3)C[C@H]21 1090312965 AIBWLTSEIGKHIE-QWHCGFSZSA-N 313.361 -0.347 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1O 1090407754 BDFDTJOAWZUBAX-JMSVASOKSA-N 317.349 -0.659 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2cc(=O)c(OC)c[nH]2)[C@@H](O)C1 1090433138 PBFRCSPJHZZLDX-RISCZKNCSA-N 319.361 -0.428 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2ccnc3c2ncn3C)[C@H](O)C1 1090565755 GQRGHSPVZLMAIW-CHWSQXEVSA-N 313.361 -0.234 30 20 DBED COCCn1cc(C(=O)NCCNc2nccnc2C#N)nn1 1093893191 PEVPWEOBSDFLKS-UHFFFAOYSA-N 316.325 -0.572 30 20 DBED C#CCN1CC(n2cc(CNC(=O)[C@H]3C[C@H]3C(=O)OC)nn2)C1 1094279235 DFFUBQZSHALHPV-QWHCGFSZSA-N 317.349 -0.807 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)[C@@H]3CCN(C)C3=O)CC2=O)C1 1094771310 JACUDXDCYAPVKT-YPMHNXCESA-N 320.393 -0.948 30 20 DBED CC#CCN1CC(N2C[C@H](NC(=O)[C@@]3(F)CCOC3)CC2=O)C1 1094778365 LWOYTQZCCOTKOL-MLGOLLRUSA-N 323.368 -0.460 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)C[C@@H]3CCN(C)C3)CC2=O)C1 1094809735 OZKILQZHZUFMCQ-KBPBESRZSA-N 318.421 -0.637 30 20 DBED CN1C[C@H](C(=O)NCCCNc2cnc(C#N)cn2)CC1=O 1094847066 NBPXGIIWCRCGIX-SNVBAGLBSA-N 302.338 -0.255 30 20 DBED C#CCN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1c(O)nnc1O)C2 1095045968 RRNZPJXTYKBFSK-DCAQKATOSA-N 305.338 -0.708 30 20 DBED C=CCN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1c(O)nnc1O)C2 1095046233 XONMYEGTUFHKQC-DCAQKATOSA-N 307.354 -0.156 30 20 DBED N#Cc1ccc(N2CCC(NC(=O)CNC(N)=O)CC2)nc1 1095388543 KISRVZGRLFHRQA-UHFFFAOYSA-N 302.338 -0.293 30 20 DBED CN(CCCNC(=O)CS(C)(=O)=O)c1ccnc(C#N)n1 1095505738 ARFPSGFIMORQRL-UHFFFAOYSA-N 311.367 -0.665 30 20 DBED CN(CCCNC(=O)C1CS(=O)(=O)C1)c1ccncc1C#N 1095649585 DXWRHOGPNYCRFK-UHFFFAOYSA-N 322.390 -0.060 30 20 DBED N#Cc1ccc(N[C@@H](CNC(=O)[C@@H]2CCC(=O)N2)C2CC2)nn1 1096697376 KSDABEOXQIURRF-RYUDHWBXSA-N 314.349 -0.066 30 20 DBED N#Cc1cnc(N[C@@H](CNC(=O)[C@@H]2CCC(=O)N2)C2CC2)cn1 1096697952 OHTPBCTVDBZLKC-RYUDHWBXSA-N 314.349 -0.066 30 20 DBED CNC(=O)NCC(=O)NC[C@H](Nc1nccnc1C#N)C1CC1 1096838000 WFYOKHOXLPNZDU-NSHDSACASA-N 317.353 -0.416 30 20 DBED CC[C@@H](C)C(=O)NCC(=O)NC[C@H](C)N=c1cc[nH]c(C#N)n1 1097863663 NYFOFBKVUGMCDN-MNOVXSKESA-N 318.381 -0.151 30 20 DBED C#CCCN(CCO)C1CCN(C(=O)C2(C(N)=O)CC2)CC1 1098465109 XCLOIAADERBTTO-UHFFFAOYSA-N 307.394 -0.440 30 20 DBED C[C@H](CCNC(=O)Cn1cnnn1)Nc1cnc(C#N)cn1 1098818311 ZASVCNKJJGRIBL-SECBINFHSA-N 301.314 -0.658 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)CCCCC)[C@@H](O)C1 1099675234 JLWIRPJRCITOSV-KBPBESRZSA-N 309.410 -0.133 30 20 DBED CN(CCNC(=O)c1cnc(O)n1C)c1ccnc(C#N)n1 1100270475 SUQAOIPPJBAZAN-UHFFFAOYSA-N 301.310 -0.346 30 20 DBED CCC(=O)N[C@H](C)C(=O)NCCN(C)c1cncc(C#N)n1 1100377250 RVLSXHUCOZOPGH-SNVBAGLBSA-N 304.354 -0.185 30 20 DBED C=CCNC1CC(CNC(=O)CN2CCCS2(=O)=O)C1 1100385313 KQCVOYGAGMMXBF-UHFFFAOYSA-N 301.412 -0.308 30 20 DBED N#Cc1cnc(N2CCC[C@@H]2CNC(=O)CCNC(N)=O)cn1 1100833032 FXQOGDMRSATVBG-LLVKDONJSA-N 317.353 -0.508 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(CCN2CCNC2=O)C[C@H]1C 1101818137 FNTLIDIRRHRVPB-ZIAGYGMSSA-N 324.425 -0.102 30 20 DBED CN(CCN=c1cc[nH]cc1C#N)C(=O)CC1CS(=O)(=O)C1 1101836388 ZRMRPBKVCIUBTC-UHFFFAOYSA-N 322.390 -0.320 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H](C)[C@H](CNC(=O)CC(N)=O)C1 1101837625 GYCFSBMJLFRXJV-GRYCIOLGSA-N 310.398 -0.763 30 20 DBED CN(C[C@H]1CCN(C(=O)CNC(N)=O)C1)c1ccc(C#N)cn1 1102428367 ZDUBLMKMPNJKFN-GFCCVEGCSA-N 316.365 -0.094 30 20 DBED N#Cc1ccc(N2C[C@@H]3C[C@H]2CN3C(=O)CNC(N)=O)nc1 1102536234 PTVWOLFXUQJKBG-QWRGUYRKSA-N 300.322 -0.589 30 20 DBED C[C@H](NC(N)=O)C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(C#N)nn1 1102547697 LKTPQSRALHIJKE-LSJOCFKGSA-N 315.337 -0.805 30 20 DBED CNC(=O)NCC(=O)N(C)[C@@H]1CCN(c2ncccc2C#N)C1 1102767108 RVBPLKVOVHOJGT-GFCCVEGCSA-N 316.365 -0.081 30 20 DBED CC[C@H](CNC(=O)[C@H]1CCC(=O)N1)Nc1ccc(C#N)nn1 1102992368 PVSNSVGCYBIFBT-MWLCHTKSSA-N 302.338 -0.066 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)CN1CCOCC1 1103914467 JKWJMYMLZBTTBE-LBPRGKRZSA-N 318.381 -0.733 30 20 DBED C=CCNCc1cn(C2CN(C(=O)[C@]3(C)CCC(=O)N3)C2)nn1 1105322524 TWGLGMKCARHPQD-HNNXBMFYSA-N 318.381 -0.394 30 20 DBED C#CCNCc1cn(C2CN(C(=O)CN(CC)CC)C2)nn1 1105348131 WGBTUAKURPPBGC-UHFFFAOYSA-N 304.398 -0.274 30 20 DBED C=CCCOCC(=O)N1CC(n2cc(CNCC#N)nn2)C1 1105380607 BJCIYFQIBCUYFQ-UHFFFAOYSA-N 304.354 -0.133 30 20 DBED CN(CCN(C)c1ccnc(C#N)n1)C(=O)c1nnn(C)n1 1105534664 BJSCMSQZXJJZJM-UHFFFAOYSA-N 301.314 -0.920 30 20 DBED N#Cc1nccnc1NC[C@H](O)CNC(=O)[C@@H]1CCCCO1 1105820017 QFLUNMOCFGFRNO-JQWIXIFHSA-N 305.338 -0.194 30 20 DBED N#Cc1nc(=NC[C@H](O)CNC(=O)[C@@H]2CCC2(F)F)cc[nH]1 1106009909 JMEHFUTXVITSSN-IUCAKERBSA-N 311.292 -0.296 30 20 DBED C[C@H](CCN=c1cc[nH]cc1C#N)NC(=O)[C@@H]1CNC(=O)N1 1106542514 GJUIOFQRNTWGTN-SKDRFNHKSA-N 302.338 -0.637 30 20 DBED C[C@@H](CCNc1nccnc1C#N)NC(=O)[C@@H]1CNC(=O)N1 1106543854 UFPLGMLBDDGGLX-WPRPVWTQSA-N 303.326 -0.664 30 20 DBED N#Cc1nc(=NC/C=C\CNC(=O)CN2CCOCC2)cc[nH]1 1107133545 HGXZMSNOAXDIOL-UPHRSURJSA-N 316.365 -0.813 30 20 DBED C=C(C)CN1CC(n2cc(CNC(=O)[C@@H](COC)OC)nn2)C1 1107208088 PPUARCCPEFDTKL-CQSZACIVSA-N 323.397 -0.012 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)c1c[nH]c(C(N)=O)c1 1107772056 ICPIJJWTCVPEFB-MRVPVSSYSA-N 313.321 -0.572 30 20 DBED C=C(C)CCN1CC(N2C[C@@H](NC(=O)CNC(N)=O)CC2=O)C1 1108502361 MFUKPVLXTCWEIO-NSHDSACASA-N 323.397 -0.978 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CC(=O)N(C2CN(Cc3ccon3)C2)C1 1108528380 WFUVKCBIOZQESB-CMPLNLGQSA-N 317.349 -0.264 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H]1CC(=O)N(C2CN(CCOC)C2)C1 1108546624 ZTCYSDRISJVQQT-OLZOCXBDSA-N 323.393 -0.928 30 20 DBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cc1cc[nH]n1 1109104039 XDZDNOCLBSJVGB-AGIUHOORSA-N 316.365 -0.687 30 20 DBED C[C@H](CN(C)c1cnc(C#N)cn1)NC(=O)C1CS(=O)(=O)C1 1109117460 ZLMQMOBDASZIHX-SECBINFHSA-N 323.378 -0.666 30 20 DBED CN(CCCNc1cncc(C#N)n1)C(=O)c1nnn(C)n1 1109587915 GBOFFZGLGQRGHE-UHFFFAOYSA-N 301.314 -0.554 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1nnnn1C 1110500806 MTBMUIIAPCSLAZ-FJJYHAOUSA-N 320.397 -0.241 30 20 DBED COCCCC(=O)NC[C@@]1(O)CCN(c2ccc(C#N)nn2)C1 1111050794 PYJMPEIVEJYMIJ-HNNXBMFYSA-N 319.365 -0.168 30 20 DBED C[C@@H]1CN(C(=O)CNC(N)=O)C[C@@H]1CNc1cncc(C#N)n1 1111241173 PQVREINGANCFQY-ZJUUUORDSA-N 317.353 -0.477 30 20 DBED CCCOCC(=O)NC[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1O 1112708848 AGZAEZYLNSMZAQ-DGCLKSJQSA-N 319.365 -0.312 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)c2n[nH]c(C)c2O)CC1 1112767762 DPDIQCPEZGEAEB-NSHDSACASA-N 319.365 -0.681 30 20 DBED C#CCNC(=O)CC(=O)N1CCN(Cc2ccns2)CC1 1112777847 PTLBPEKVUICNAJ-UHFFFAOYSA-N 306.391 -0.073 30 20 DBED COCC#CCN1CCN(C(=O)c2ccc(C(N)=O)o2)CC1 1113083806 SCZJJFZGJFFVHZ-UHFFFAOYSA-N 305.334 -0.214 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)CCCOC)[C@@H]2C1 1113938851 WIQFGCASOPJRMM-YNEHKIRRSA-N 307.394 -0.403 30 20 DBED C#CCO[C@H](C)C(=O)NC1[C@@H]2CN(CC(=O)NCC=C)C[C@@H]12 1114270288 CNYWWQRDSVYGGA-JHJVBQTASA-N 305.378 -0.627 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3c[nH]nc3C)[C@H]2C1 1114647129 AMUUVANRHGWJSH-RYUDHWBXSA-N 301.350 -0.872 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)Cc3cnoc3)[C@H]2C1 1114727749 YEXSCKZEUBZSIU-PBOSXPJTSA-N 316.361 -0.599 30 20 DBED CC[C@H](NC(C)=O)C(=O)NC1[C@@H]2CN(CC#CCOC)C[C@@H]12 1114871775 HRRQAVULYLSLQQ-MCIONIFRSA-N 307.394 -0.403 30 20 DBED C=CCNC(=O)NC(=O)CN1C(=O)NC2(CCC(=O)CC2)C1=O 1116506383 PCWYVAFWHRXVNH-UHFFFAOYSA-N 322.321 -0.568 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)NC[C@H]2CCN(C3CC3)C2)CCO1 1117046097 LBSAGERMYFXGOZ-YPMHNXCESA-N 306.366 -0.662 30 20 DBED C[C@H](CO)C1CCN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)CC1 1118323157 CXHAZLBDTWKFEG-WBMJQRKESA-N 323.393 -0.270 30 20 DBED C[C@@H](CN(C)C(=O)[C@@H]1CNC(=O)N1)Nc1ccc(C#N)nc1 1120634457 MHDCOUQRSAFLRH-CABZTGNLSA-N 302.338 -0.107 30 20 DBED CC(=O)N(C)CC(=O)NC[C@H](CO)Nc1nc(C)cc(C#N)n1 1121086362 SCDDDQLDKJZTAK-GFCCVEGCSA-N 320.353 -0.976 30 20 DBED Cc1cc(=N[C@H](CO)CNC(=O)C[C@@H]2CCOC2)c(C#N)c[nH]1 1121398324 HCNUZCMFUHZPNZ-JSGCOSHPSA-N 318.377 -0.001 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H](CO)Nc1nc(C)cc(OC)n1 1122036994 SLIGNEJWSPSRCB-RYUDHWBXSA-N 322.365 -0.279 30 20 DBED N#Cc1nccnc1N[C@H](CO)CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 1122634560 CCVZBYBDDHYWRN-WGBDABJCSA-N 317.349 -0.195 30 20 DBED CN(C[C@@H](O)CNc1cncc(C#N)n1)C(=O)[C@H]1CCCO1 1124066381 VEGMBPZHBASHRC-NWDGAFQWSA-N 305.338 -0.242 30 20 DBED CS(=O)(=O)CC(=O)NCCNCc1ccc(F)c(C#N)c1 1124355651 HQEVSTOVPJETIW-UHFFFAOYSA-N 313.354 -0.052 30 20 DBED Cc1nc[nH]c1C(=O)N(C)C[C@@H](O)CNc1cncc(C#N)n1 1124399767 YLHWTRDEQVDJIT-NSHDSACASA-N 315.337 -0.075 30 20 DBED C[C@@H](CC(N)=O)C(=O)N(C)C[C@H](O)CNc1cncc(C#N)n1 1124695234 WKOWRRNERNDVNB-GXSJLCMTSA-N 320.353 -0.909 30 20 DBED C#CCCCC(=O)NCCNCC(=O)N(C)Cc1cnn(C)c1 1126343893 KNWGRPGNFRTLLC-UHFFFAOYSA-N 319.409 -0.112 30 20 DBED O=C(C#CC1CC1)NCCNCc1cn(C[C@@H]2CCOC2)nn1 1126881133 LSMHLJDANQWUSX-AWEZNQCLSA-N 317.393 -0.066 30 20 DBED C#CCNCc1nnc2n1CC[C@@H](NC(=O)COCC)CC2 1127925074 NYUMVWPQUXTWFY-LBPRGKRZSA-N 305.382 -0.142 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1n1ccnn1 1129678165 YGSCFCVFFJJNJE-MCIONIFRSA-N 316.365 -0.571 30 20 DBED COCCC(=O)NCc1nc([C@@H]2COCCN2CC#N)n[nH]1 1130826353 XBGCDPVIIUXKDJ-JTQLQIEISA-N 308.342 -0.646 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@@H]1C[C@H]1c1ccnn1C 1131630597 KUNUNMGHXVGMDO-VXGBXAGGSA-N 305.382 -0.468 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)c1csnn1 1131972455 NLSFICSSEPAYNV-UHFFFAOYSA-N 310.383 -0.380 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC2(CN(C(=O)[C@H]3CCOC3)C2)C1 1147104922 ASJBNCPWGKPXHN-KGLIPLIRSA-N 319.405 -0.305 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)CCCC(=O)NC(C)C 1148256703 FDMJJLGZMKPJLJ-CYBMUJFWSA-N 324.425 -0.475 30 20 DBED C=CCCOCC(=O)NC[C@H]1CN(CC(=O)NC)CCCO1 1150803228 OKPQRCSMGXDNLO-ZDUSSCGKSA-N 313.398 -0.468 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)NCCNCc1ccn(C)n1 1152399600 ZYWUAFLVCHWOQM-UHFFFAOYSA-N 322.413 -0.110 30 20 DBED C#CCNC(=O)CC(=O)NCCCN[C@@H](C)C(=O)NCC(C)C 1156857267 KFADPNQKFTZPLS-ZDUSSCGKSA-N 324.425 -0.618 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)Cc1ncc(CC)[nH]1 1160254864 RYGDQJWQHPEOCW-LBPRGKRZSA-N 319.409 -0.252 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@@H]1COCCN1CC 1161513025 HIVMXHBRXPWRDY-ZDUSSCGKSA-N 312.414 -0.895 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)CCS(C)(=O)=O)C[C@@H]21 1177043673 YYXPYZLQMMFBLF-STQMWFEESA-N 314.407 -0.644 30 20 DBED C=CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)CC(=O)NC)[C@H]1C 1178544594 MHZPAPHMMXVLSX-SRVKXCTJSA-N 310.398 -0.608 30 20 DBED CC(C)[C@@H]1CCO[C@@H]1C(=O)N1CC[C@@H](NCC(=O)NCC#N)C1 1182654230 GLBJZQNWJGRDCP-IPYPFGDCSA-N 322.409 -0.122 30 20 DBED C#CCNC[C@]1(C)CN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C[C@H]1C 1182768031 WWVFHHSCMAWAFY-JRPNMDOOSA-N 306.366 -0.708 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)Cc2cnn(C)c2C)C1 1183124611 GBCSCAJTPKCRKF-CQSZACIVSA-N 319.409 -0.236 30 20 DBED COCC#CCNC[C@H]1CCN(C(=O)Cn2ncnn2)C[C@H]1C 1184399745 MRICMXQWFSPFFC-ZIAGYGMSSA-N 320.397 -0.603 30 20 DBED C#CCNC[C@@H]1CCN(C(=O)c2cnc(O)n(C)c2=O)C[C@H]1C 1184921989 AFIKHFWDTSEYJO-NEPJUHHUSA-N 318.377 -0.193 30 20 DBED C#CCCN[C@@H]1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)C1 1186371805 OCGACARZFDJLKW-GFCCVEGCSA-N 304.350 -0.860 30 20 DBED C#CCNC[C@@H]1CN(C(=O)Cn2nccn2)CC12CCOCC2 1186392720 CYIKGGJUQSWOHN-CQSZACIVSA-N 317.393 -0.244 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2cc(CC)[nH]n2)C1 1188949034 PJQVKLXLOUXFKH-ZDUSSCGKSA-N 317.393 -0.132 30 20 DBED CN(CC(=O)NCC#N)[C@@H]1CCN(C(=O)C[C@H]2CCCO2)C1 1189066510 GJTXQQLMMYDLGG-CHWSQXEVSA-N 308.382 -0.272 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](N(C)Cc2nonc2C)C1 1189760700 OVTRUZBCWPYAHK-LBPRGKRZSA-N 319.365 -0.450 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@@H](N(C)CC(=O)N2CCC2)C1 1190094934 OSNCUANJAGCJIQ-UONOGXRCSA-N 307.394 -0.210 30 20 DBED CC#CCN(C)[C@H]1CCN(C(=O)CCS(=O)(=O)NC)C1 1190135692 FQPUMRPUHKXROY-LBPRGKRZSA-N 301.412 -0.518 30 20 DBED C#CCCN(C)[C@H]1CCN(C(=O)[C@H](C)NS(=O)(=O)CC)C1 1190289594 HEYNNPGSBATMJR-STQMWFEESA-N 315.439 -0.130 30 20 DBED C=CCC[C@H](C)N1C[C@@H](O)[C@H](NC(=O)CS(C)(=O)=O)C1 1191529394 FFCQMDLKVAFZCD-QJPTWQEYSA-N 304.412 -0.453 30 20 DBED CN(CC(=O)NCC#N)[C@@H]1CCN(C(=O)c2csnn2)C1 1191585012 CPAPBUJMPPLNDR-SECBINFHSA-N 308.367 -0.676 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)c2ccnn2CC)C1 1192420736 XTTMWELHUSKOIT-TZMCWYRMSA-N 308.382 -0.120 30 20 DBED C#CCCCC(=O)N[C@@H]1CN([C@@H](C)C(=O)NC2CC2)C[C@H]1O 1192524008 DCEILSULPTZIGM-IACUBPJLSA-N 307.394 -0.382 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@@H]1CCN(C(=O)c2cnn(C)n2)C1 1192844952 DAXDANKKXZBARW-NWDGAFQWSA-N 318.381 -0.901 30 20 DBED C=CCCN1CCCN(C(=O)CNC(=O)CNC(C)=O)CC1 1196324929 DRVQQEOXWQXKHJ-UHFFFAOYSA-N 310.398 -0.651 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)CCCCCNC(C)=O)C1 1198392339 FJRHMEOOZTWBJX-HUUCEWRRSA-N 309.410 -0.133 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(CCn2cccn2)C[C@H]1O 1199318387 SHZYNWQMNWGLBF-MGPQQGTHSA-N 308.382 -0.365 30 20 DBED C=CCNC[C@@H]1CN(C(=O)c2nnc(O)nc2O)CCCO1 1200893293 AQJOKCLGNAGAEA-SECBINFHSA-N 309.326 -0.711 30 20 DBED COc1ncc(C(=O)N2CCCO[C@H](CNCC#N)C2)cn1 1201774315 HJNFUBOLNNDEEH-GFCCVEGCSA-N 305.338 -0.171 30 20 DBED COCC#CCNC[C@H]1CN(C(=O)Cn2cncn2)CCCO1 1202006428 QHMFWVJBCZFYLC-AWEZNQCLSA-N 321.381 -0.865 30 20 DBED C=CCNC[C@@H]1CN(C(=O)c2cn(C)c(=O)n2C)CCCO1 1202174050 PJKVPKQCEUNJRH-GFCCVEGCSA-N 308.382 -0.270 30 20 DBED CC(C)C#CC(=O)N[C@@H]1C[C@H](NCC(=O)NC(N)=O)C12CCC2 1202878049 QEUFVLPODNLDQJ-NWDGAFQWSA-N 320.393 -0.142 30 20 DBED N#CCNC(=O)CN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)c1cocn1)C2 1204095294 LEEMUQWBFJKYJG-NQBHXWOUSA-N 317.349 -0.103 30 20 DBED CC[C@@]1(C(=O)N[C@@H]2CN(CC#CCOC)C[C@H]2C)CCNC1=O 1207609460 BTEKBLQWCRBJLF-CKEIUWERSA-N 321.421 -0.011 30 20 DBED C#CCCN[C@@H]1CCCN(C(=O)[C@@H](C)NS(=O)(=O)CC)C1 1208108896 DEXMNGUQPWMTEG-CHWSQXEVSA-N 315.439 -0.082 30 20 DBED C=CCn1cc(C(=O)N2CCC[C@H](NCCOCCO)C2)nn1 1210010047 LLFMYASFQPGYRG-ZDUSSCGKSA-N 323.397 -0.333 30 20 DBED N#CCN[C@@H]1CCCN(C(=O)CNC(=O)C2CCOCC2)C1 1210197727 BXQRCANOHPKJGK-CYBMUJFWSA-N 308.382 -0.367 30 20 DBED CC#CCN[C@@H]1CCCN(C(=O)[C@H]2CN(C(C)=O)CCO2)C1 1210891788 AWLIVYCWYJRLBI-HUUCEWRRSA-N 307.394 -0.162 30 20 DBED C#CCC1(C(=O)N2C[C@@H](NCC(=O)NC)[C@H](C)C2)CCOCC1 1214821459 BAIZYJKQLBIPDS-ZIAGYGMSSA-N 321.421 -0.011 30 20 DBED C[C@@H]1CN(C(=O)c2ncccc2F)C[C@H]1NCC(=O)NCC#N 1216053160 FAWBVUMLMHBGQZ-ZYHUDNBSSA-N 319.340 -0.089 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCC2(F)F)C1 1219858382 OWWMTZKJNHUCBD-AXFHLTTASA-N 317.336 -0.505 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)C[C@@H](C)N2CCCC2=O)C1 1220753186 COUUYLDZKNTGQD-MCIONIFRSA-N 307.394 -0.428 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C(C)(CC)CC)C1 1221017915 NBVIZEVKOYMTJQ-OLZOCXBDSA-N 309.410 -0.277 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CN(CC(=O)NCCC)C[C@@H]1O 1221143553 IUVOXZGLXOQCAV-XQQFMLRXSA-N 313.398 -0.735 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CC23CCOCC3)C1 1221195536 XDKWTVIDCPXHGS-ZNMIVQPWSA-N 322.405 -0.386 30 20 DBED COCC#CCN1CCC(CNC(=O)[C@@H]2CCNC2=O)CC1 1224024472 LZSHDKBLIOVDFU-CQSZACIVSA-N 307.394 -0.400 30 20 DBED C#CCO[C@@H](C)C(=O)NC1CCN([C@H](C)c2nnnn2C)CC1 1227342478 OJBXTRZSDISZQS-NEPJUHHUSA-N 320.397 -0.110 30 20 DBED C=CCn1cc(C(=O)NC2CCN(CCOCCO)CC2)nn1 1229500961 WUINQTJDELWHBX-UHFFFAOYSA-N 323.397 -0.333 30 20 DBED C=CCNC(=O)NC(=O)CN1CC[C@@H]1CN(C)C(=O)C1CC1 1230532933 SLEOYBWHUDKTQT-GFCCVEGCSA-N 308.382 -0.059 30 20 DBED C=CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)CNC(=O)C1CC1 1230844146 GXEORVSLTKNEBX-CYBMUJFWSA-N 322.409 -0.653 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C[C@@H]1CCN1Cc1nnnn1C 1234216482 YEWKTDROPHIGOS-RYUDHWBXSA-N 306.370 -0.719 30 20 DBED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1cnn(CC(F)F)c1 1256560159 LWOFGHQQCJEUIE-SNVBAGLBSA-N 314.292 -0.023 30 20 DBED CN(CCNC(=O)c1cccn2nnnc12)c1ccc(C#N)nn1 1316594521 GNBQYJXHNHHQJQ-UHFFFAOYSA-N 323.320 -0.348 30 20 DBED N#CCCCS(=O)(=O)N1CCC[C@@H](CNS(N)(=O)=O)C1 1320625256 AFTHGAQLDVKPKN-JTQLQIEISA-N 324.428 -0.875 30 20 DBED Cc1noc(CCCNS(=O)(=O)N2CCO[C@@H](C#N)C2)n1 1321691107 ZDXZXQWZKLRWSG-JTQLQIEISA-N 315.355 -0.631 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CC[C@@H](OCCOC)C1)[C@H]1CCCO1 1323818900 BMVWXISKFRVVJX-HZSPNIEDSA-N 324.377 -0.453 30 20 DBED C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)NCCC(N)=O 1326017016 WZKYYWRHOGJLOG-SECBINFHSA-N 304.306 -0.092 30 20 DBED COC(=O)C1CCN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)CC1 1327022905 SOPRFWABGKNDKW-OAHLLOKOSA-N 323.349 -0.725 30 20 DBED CN(C(=O)C(=O)c1cc(S(N)(=O)=O)cn1C)C1(C#N)CCC1 1327862095 HQBHIUDVURZQEK-UHFFFAOYSA-N 324.362 -0.240 30 20 DBED C[C@H](NC(=O)C(=O)N1CC[C@@](O)(CC#N)C1)c1cnn(C)c1 1329330066 DVULWDRWJCTNRQ-HZMBPMFUSA-N 305.338 -0.526 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2CCC[C@@H](O)C2)C1=O 1329695777 JXHFXWAQEYSXTL-VXGBXAGGSA-N 309.366 -0.785 30 20 DBED C=CCN(C(=O)C(=O)NCCCN(C)S(C)(=O)=O)C1CC1 1330177771 PSRMWGFYRKNLKV-UHFFFAOYSA-N 317.411 -0.439 30 20 DBED C#CCN1CCC[C@@H](NC(=O)C(=O)Nc2ccnc(OC)n2)C1 1331408542 BQCQFOJIVVSHGS-LLVKDONJSA-N 317.349 -0.363 30 20 DBED N#C[C@H]1CC[C@@H](NC(=O)C(=O)N2[C@H]3CC[C@H]2CC(=O)NC3)C1 1332478772 XZKJJJDLIKXHOZ-USZNOCQGSA-N 304.350 -0.326 30 20 DBED C=C(CC)CNC(=O)C(=O)NCCCN1CCCS1(=O)=O 1336510861 YCBZZYQMOBPYDH-UHFFFAOYSA-N 317.411 -0.389 30 20 DBED C=CCn1c(C(N)=O)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1338748676 BNEPZSSWNBDTIB-LLVKDONJSA-N 306.370 -0.132 30 20 DBED COCCOCCNC(=O)C(=O)Nc1cc(C)nn1CCC#N 1340838983 SLCGCRFEOLYYNW-UHFFFAOYSA-N 323.353 -0.177 30 20 DBED CNC[C@H]1CCCN1C(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1348619471 XYJHOBHMDRAVCV-KGLIPLIRSA-N 319.409 -0.604 30 20 DBED C#C[C@@H]1COCCN1C(=O)NC[C@H]1CC2(CCNCC2)C(=O)O1 1353477094 SSQPNTFRONOODO-CHWSQXEVSA-N 321.377 -0.285 30 20 DBED CCOC[C@H](NC(=O)Cn1cc(C#N)c(O)nc1=O)C(C)C 1362600049 HXPLNYBSQITXLH-NSHDSACASA-N 308.338 -0.002 30 20 DBED CNC(=O)N[C@H]1CCCN(S(=O)(=O)N(C)C[C@H](C)C#N)C1 1365460667 OXRJDHWQWRWKSZ-MNOVXSKESA-N 317.415 -0.284 30 20 DBED CC(CO)(CO)CNS(=O)(=O)c1ccc(F)cc1C#N 1365708400 OPWJXZBIOOPJMT-UHFFFAOYSA-N 302.327 -0.033 30 20 DBED CO[C@H](C)C(=O)NCc1cc(O)nc(CNC(=O)[C@@H](C)C#N)n1 1384645412 TUNLOYVUDAHBHW-DTWKUNHWSA-N 321.337 -0.391 30 20 DBED CC(=O)N[C@H](C)C(=O)N[C@@H](C)CN(C)C(=O)c1cc(C#N)c[nH]1 1395555827 UEQZOWLYTDILTI-VHSXEESVSA-N 319.365 -0.012 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]1CNC(=O)COCc1nncn1C 1400484976 NYOMCPRQJCKBLK-MNOVXSKESA-N 320.353 -0.792 30 20 DBED CCc1c(C(=O)N2CC(NC(=O)[C@@H](C)C#N)C2)nnn1CC 1409101594 TVTCCFSORMUKSB-VIFPVBQESA-N 304.354 -0.039 30 20 DBED Cc1ccn(CC(=O)NC[C@@H](C)NC(=O)[C@H](C)C#N)c(=O)c1 1415162922 SRBXFNYWDYNPBI-VXGBXAGGSA-N 304.350 -0.063 30 20 DBED C[C@H](C#N)C(=O)NCC1CN(C(=O)CCn2cnccc2=O)C1 1416124268 QIXSZMXHQANTNV-LLVKDONJSA-N 317.349 -0.632 30 20 DBED CCn1cc(C(=O)N(CCNC(=O)[C@H](C)C#N)CCOC)nn1 1428423234 KRVSZMKXCWLZIZ-LLVKDONJSA-N 322.369 -0.338 30 20 DBED C[C@H](CNC(=O)c1ccc2nnnn2c1)NC(=O)[C@H](C)C#N 1431729419 KBDLEXYAWBFGCP-RKDXNWHRSA-N 301.310 -0.482 30 20 DBED CCN(C(=O)Cn1cnnn1)[C@@H]1CCN(C(=O)[C@H](C)C#N)C1 1450759419 RERMHWOWESASSL-GHMZBOCLSA-N 305.342 -0.718 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(CCNC(=O)c2cncnc2)CC1 1493164356 QLFUIQQFWKXDAV-LBPRGKRZSA-N 316.365 -0.490 30 20 DBED C[C@H](C#N)C(=O)N(C)CCNC(=O)[C@@H]1CCc2nncn2C1 1528262588 PSYMNRVPRLEFSJ-GHMZBOCLSA-N 304.354 -0.425 30 20 DBED N#Cc1ccc(CNC(=O)Cn2ncn3nccc3c2=O)nc1 1534990168 WBFWOZBUEAIPFW-UHFFFAOYSA-N 309.289 -0.526 30 20 DBED CNC(=O)N[C@H]1CCN(c2cnc(-c3nn[nH]n3)c(C#N)n2)C1 1579402176 FOKVYOJDPCGYEN-ZETCQYMHSA-N 314.313 -0.964 30 20 DBED C[C@@H]1CNC[C@H]1NC(=O)NCCN/C(O)=C1/N=CC=CC1=O 1579464757 ICSQFDAUBYXXMU-QNHQHOPMSA-N 307.354 -0.580 30 20 DBED CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(CC(=O)O)c1=O 1588675430 TZYUJYRNCXKVDT-UHFFFAOYSA-N 309.278 -0.692 30 20 DBED C=CCOCC(=O)NCCN(C)c1nccnc1-c1nn[nH]n1 1588676485 WLDXZNPUJHMAEE-UHFFFAOYSA-N 318.341 -0.588 30 20 DBED C=CCOC[C@H](NC(=O)c1cnn(CCN(C)C)c1)C(=O)O 1588860586 ZQBRRWOOCZVBTM-LBPRGKRZSA-N 310.354 -0.170 30 20 DBED Cc1cc(-c2nn[nH]n2)nc(NCCNC(=O)C#CC2CC2)n1 1591900252 QJWOLYNPAXSXHL-UHFFFAOYSA-N 312.337 -0.093 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)NCc2cccc(C(=O)O)c2)CCO1 1594605382 CFTRSRJROXWQGF-GFCCVEGCSA-N 317.301 -0.248 30 20 DBED C[C@@H]1CN(C(=O)NCCn2cnc(C#N)n2)C[C@H]1CC(=O)O 1599856751 NLTLBTHMLBWRMH-NXEZZACHSA-N 306.326 -0.098 30 20 DBED N#CCNC(=O)CN1[C@H]2CC[C@H]1CN(C(=O)[C@@H]1C[C@@H]1C(=O)O)C2 1601074750 PFRZKSZQBGRWDJ-YFKTTZPYSA-N 320.349 -0.978 30 20 DBED N#Cc1ccc([C@H](C(N)=O)N2C[C@H](O)C[C@@H](C(=O)O)C2)cc1 1601095107 HQEMURAKZMNWSU-JHJVBQTASA-N 303.318 -0.148 30 20 DBED CN(CCN(C)c1cnc(C#N)cn1)C(=O)[C@@H]1C[C@@H]1C(=O)O 1606127075 UAGSFKLYEQAVFP-MNOVXSKESA-N 303.322 -0.036 30 20 DBED COC(=O)CN(CC#N)S(=O)(=O)[C@H]1CC[C@@H](C(=O)O)C1 1606463649 CVRXGAIYNVTOPQ-BDAKNGLRSA-N 304.324 -0.432 30 20 DBED CCC[C@@H](C(=O)N1CC[C@@H](CNCC#N)C1)S(N)(=O)=O 1752944965 CPRLDJQSGRBUEC-QWRGUYRKSA-N 302.400 -0.595 30 20 DBED C=CCCNC[C@H]1CCN(C(=O)[C@@H](C)NS(C)(=O)=O)C1 1752952680 DQFABMFMWRRIDO-VXGBXAGGSA-N 303.428 -0.062 30 20 DBED CC#CCN1CCC[C@H]1CCCNC(=O)CN1C(=O)CNC1=O 1753037213 DFEMOKPSPDBIRE-CYBMUJFWSA-N 320.393 -0.078 30 20 DBED C#Cc1ccccc1CC(=O)NCCN(C)Cc1nnnn1C 1753072611 VHBCHOXDEWDQMT-UHFFFAOYSA-N 312.377 -0.018 30 20 DBED C=CCNC(=O)CN[C@@H](CNC(=O)C(N)=O)c1ccccc1 1753301548 KPJMAJFCXBTYPM-LBPRGKRZSA-N 304.350 -0.779 30 20 DBED C#CCOCCC(=O)NC[C@@H](C)CN[C@@H]1CCCN(C)C1=O 1753613162 RCPZMBGTXRUJKE-UONOGXRCSA-N 309.410 -0.011 30 20 DBED C=CCNC(=O)CNC[C@H](C)NC(=O)C1(C(=O)NC)CCC1 1754291841 BJMCYDLRCFAOND-NSHDSACASA-N 310.398 -0.701 30 20 DBED C=CCCN[C@H]1CCN(C(=O)CNC(=O)CNC(C)=O)[C@H](C)C1 1754597682 OFMFLHPUPHSZDC-OCCSQVGLSA-N 324.425 -0.216 30 20 DBED CC#CCN1CC[C@@](O)(CNC(=O)c2cc(C(N)=O)ccn2)C1 1754764296 WHUWXGJDUKNATI-MRXNPFEDSA-N 316.361 -0.630 30 20 DBED N#CCN1CC(O)(CNC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)C1 1754776579 GXEXMVHBVPKMLO-GFCCVEGCSA-N 320.393 -0.536 30 20 DBED CC#CCN1C[C@H]2CN(C(=O)CN(C)C(=O)COC)C[C@H]2C1 1754842481 IEUMAYONJXYGBF-OKILXGFUSA-N 307.394 -0.495 30 20 DBED COCC#CCN1CCOC[C@@H]1CNC(=O)c1cncnc1O 1754969446 ZAWRQKNUFIDTAV-LBPRGKRZSA-N 320.349 -0.737 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)c2cnn(C)c2OC)CCO1 1755014770 RPDGWVPCTVKDBF-GFCCVEGCSA-N 306.366 -0.117 30 20 DBED C#CCN1CCN([C@H]2CCN(C(=O)CN(C)C(C)=O)C2)CC1 1755018084 UATJVUGPBUWJMJ-HNNXBMFYSA-N 306.410 -0.684 30 20 DBED COCC#CCN[C@@]1(CO)CCCN(C(=O)Cn2cccn2)C1 1755081022 OKFCLCKOAQXPCW-INIZCTEOSA-N 320.393 -0.524 30 20 DBED C=CCNC(=O)CN[C@H]1CN(C(=O)C2=COCCO2)C[C@@H]1C 1755105633 JFXNNKCFHIBJMY-RYUDHWBXSA-N 309.366 -0.387 30 20 DBED C#CCNC(=O)CN[C@H](C)[C@@H](C)NC(=O)CNC(=O)C(C)(C)C 1755269195 PPJQVHWDGKXJTR-VXGBXAGGSA-N 324.425 -0.619 30 20 DBED C#CCOCCC(=O)NC[C@@H](C)N(C)[C@@H]1CCC(=O)NC1=O 1755299636 FPHRYRQWGOOAFO-VXGBXAGGSA-N 309.366 -0.732 30 20 DBED C[C@@H](NC(=O)c1cncc(F)c1)C1CN(CC(=O)NCC#N)C1 1755373005 IGVTUXSXNQXDSL-SNVBAGLBSA-N 319.340 -0.089 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC([C@H](C)NC(=O)c2cnco2)C1 1755382451 OIRLBQVZIMZJKB-WDEREUQCSA-N 304.350 -0.137 30 20 DBED COCC#CCN1C[C@H](NC(=O)CCNC(N)=O)C(C)(C)C1 1755416209 PVYIQCWUWPGKNB-LBPRGKRZSA-N 310.398 -0.479 30 20 DBED C#CCCNC[C@@H](NC(=O)Cn1cnc(C(N)=O)n1)C(C)(C)C 1755822771 XBUIQZRTDJFUQP-LLVKDONJSA-N 320.397 -0.479 30 20 DBED COC(=O)NCC(=O)N(C)[C@@H](C)CNC(=O)CSCC#N 1756005437 IVOUCXYTNFZDOW-VIFPVBQESA-N 316.383 -0.438 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)[C@H](C)CNC(=O)CN(C)C(C)=O 1756006296 PQVOKPUXNJXCKH-NEPJUHHUSA-N 311.382 -0.534 30 20 DBED C#Cc1cncc(C(=O)N[C@H](CO)CNC(=O)[C@@H](C)OCC)c1 1756506272 RYVBUIAHWXNDDU-RISCZKNCSA-N 319.361 -0.305 30 20 DBED C=CC(C)(C)C(=O)NC[C@H](O)CN(C)C(=O)[C@@H](C)NC(C)=O 1756649073 FQHGIGHHOWQLGM-PWSUYJOCSA-N 313.398 -0.341 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@H](O)CN(C)C(=O)c1cn[nH]c1 1756654773 YPYPTMVBELGSAS-SMDDNHRTSA-N 310.354 -0.714 30 20 DBED COCCN(CCNC(=O)[C@@H](C)C#N)C(=O)[C@@H]1CCN(C)C1=O 1756729271 NRRWMFQKNQWFED-NWDGAFQWSA-N 324.381 -0.784 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)[C@@H](C)CSC)C[C@@H]1O 1757161820 MIFUFOKWOONGGR-TUAOUCFPSA-N 316.423 -0.124 30 20 DBED C=CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)NC=O)CCO2 1783917234 JNERKOAQKDWBRO-WFASDCNBSA-N 309.366 -0.473 30 20 DBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)C(C)C)CCO2 1830877122 XTVXKFLITNEKBI-HOCLYGCPSA-N 324.377 -0.907 30 20 DBED O=C1C[C@H](C(=O)N2CCCC23CN(C(=O)C#CC2CC2)C3)CN1 1845996025 IGPZWVNQCMTOGG-ZDUSSCGKSA-N 315.373 -0.261 30 20 DBED C=CCNC(=O)NC(=O)CN1CCSC[C@H]1C(=O)OCC 26336346 AFGKMAYDTQGBMD-JTQLQIEISA-N 315.395 -0.021 30 20 DBED CC#CCNC(=O)NCCNS(=O)(=O)Cc1ccon1 135587019 CGVQOHRHHMOXEV-UHFFFAOYSA-N 300.340 -0.584 30 20 DBED C[C@@H](Nc1c(C#N)c(=O)n(C)c(=O)n1C)[C@@H]1CN(C)CCO1 154852913 SHMFSVKFHBDRFK-KOLCDFICSA-N 307.354 -0.913 30 20 DBED Cc1cc(C(=O)NC2(C#N)CC2)nc2c1c(=O)n(C)c(=O)n2C 160941796 YMAOXVHQQUODRA-UHFFFAOYSA-N 313.317 -0.273 30 20 DBED CNC(=O)[C@H](NC(=O)CN1CCO[C@@H](C#N)C1)c1ccccc1 245936668 SMJPVWKIOOAZRC-DZGCQCFKSA-N 316.361 -0.186 30 20 DBED COCCN/C(N)=N/C[C@@H](O)CS(=O)(=O)c1cccs1 269677942 DQDUJYOFICCREQ-SECBINFHSA-N 321.424 -0.567 30 20 DBED N#Cc1ncccc1N1CCN(C(=O)CN2CCOCC2)CC1 274161098 ZGDBBQZHUZDVRC-UHFFFAOYSA-N 315.377 -0.066 30 20 DBED CNS(=O)(=O)c1ccc(C(=O)N2CCN(CC#N)CC2)cn1 274659631 NJGJCYFRCBDUHG-UHFFFAOYSA-N 323.378 -0.729 30 20 DBED N#CC1(CS(=O)(=O)NCCN2C[C@H](C(=O)O)CC2=O)CC1 275026178 SPMVHYKYIWNMME-SECBINFHSA-N 315.351 -0.857 30 20 DBED C=CCN1CC[C@@H](N2CCN(c3cnn(C)c3)C(=O)C2)C1=O 282007872 ODDFTAVKZMEBIM-CYBMUJFWSA-N 303.366 -0.144 30 20 DBED C#CCN(C)CCCNC(=O)c1ccnc2c(C(N)=O)cnn12 293998173 OOHSKXXULYRVON-UHFFFAOYSA-N 314.349 -0.487 30 20 DBED CN1CCO[C@H]2CN(C(O)=Nc3cccc(C(N)=O)n3)C[C@@H]21 328916203 REFRLQKLFVJXFR-QWRGUYRKSA-N 305.338 -0.259 30 20 DBED C=CCN(C(=O)[C@@H]1C[C@H](OC)CN1C)[C@H]1CCS(=O)(=O)C1 328964833 MANZPUVJSJZVLL-AVGNSLFASA-N 316.423 -0.093 30 20 DBED COCCN1CC[C@@H](/N=C(/O)N2CCCS(=O)(=O)CC2)C1 329014093 POFVOKNCWMVBRS-GFCCVEGCSA-N 319.427 -0.258 30 20 DBED C=CCNC(=O)C/N=C(/O)N1CCO[C@H](c2noc(C)n2)C1 330787762 PQWOXQCGPOQOCM-JTQLQIEISA-N 309.326 -0.032 30 20 DBED C=CCN(CCCN1C(=O)CNC1=O)[C@@H]1CCS(=O)(=O)C1 336841221 ZEGGGQATXZGCSY-LLVKDONJSA-N 315.395 -0.397 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N1CC[C@H](S(C)(=O)=O)C1 337037514 IJHIUEYHQIHNTC-UWVGGRQHSA-N 309.413 -0.558 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N2CCN(C3CCC3)CC2)CCO1 337080840 XRZNBQWCRFJFQE-CYBMUJFWSA-N 314.411 -0.374 30 20 DBED C=C(C)CN1CCC(NC(=O)C(=O)N2CC[C@@H](CO)C2)CC1 343749993 AGDGCUWUGGVJCB-CYBMUJFWSA-N 309.410 -0.016 30 20 DBED CC#CCN(C)C(=O)C(=O)Nc1ccc(OCC(N)=O)cc1 344171008 FZAMAUSXIOIVAO-UHFFFAOYSA-N 303.318 -0.029 30 20 DBED CN1CCN(C(=O)CCNC(=O)c2cnccc2C#N)CC1 358408558 KYXQBGBFBHLIEL-UHFFFAOYSA-N 301.350 -0.153 30 20 DBED N#CCNC(=O)CNC(=O)N1CCCC[C@@H]1CN1CCCC1=O 377028499 DBTHENMPWHKSBT-GFCCVEGCSA-N 321.381 -0.187 30 20 DBED O=C(NCCN1C(=O)CCC1=O)c1cccc(C#CCO)c1 405357284 KZHBHJQHCJEUAC-UHFFFAOYSA-N 300.314 -0.091 30 20 DBED N#CCCC[C@H](N)C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 424073684 FXCZRLRXWMPTDG-QWHCGFSZSA-N 308.382 -0.143 30 20 DBED CCC[C@@](C)(O)CNC(=O)C(=O)Nc1ccn(CCC#N)n1 444574477 VPMXSZRPENAMMM-CQSZACIVSA-N 307.354 0.403 30 20 DBED C#C[C@H](NC(=O)CNS(=O)(=O)c1cnn(C)c1)C(C)(C)C 491710623 USMPUWYPSCYSOK-NSHDSACASA-N 312.395 -0.138 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)NC[C@@H](CC(=O)O)C(=O)O 568096169 RKYIIWDBGTYYEP-HTQZYQBOSA-N 307.328 -0.912 30 20 DBED C=CCNC(=O)NC(=O)CN1CCC([C@@H]2OCC[C@H]2N)CC1 571443497 QSKSSHPDAMRODY-OCCSQVGLSA-N 310.398 -0.174 30 20 DBED N#CCCN1CCN(C(=O)C(=O)N2CC[C@]3(CCOC3)C2)CC1 601475279 YCYMCDYLQKCVMU-INIZCTEOSA-N 320.393 -0.317 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(CCO)CCOCCO 637117365 QBLMGHBHCIADDS-KGLIPLIRSA-N 316.398 -0.020 30 20 DBED C#C[C@H](N[C@@H](C)C(=O)N1CCN(C(C)=O)CC1)[C@@H]1CCCO1 775801151 STCCXRQDUDYUNP-QEJZJMRPSA-N 307.394 -0.164 30 20 DBED C#CCNCC(=O)N(CCCOC)[C@H]1CCS(=O)(=O)C1 779323585 RJBJGZYSTRJFEH-LBPRGKRZSA-N 302.396 -0.739 30 20 DBED CN1CCN(CC(=O)NCc2ccc(OCC#N)cc2)CC1=O 780580886 PATDPPFRMUWEDN-UHFFFAOYSA-N 316.361 -0.021 30 20 DBED CC1=C(C(=O)OCC(=O)NCC#N)[C@@H](C)n2ncnc2N1C 791466724 LRSGKFFMQIYCCG-SECBINFHSA-N 304.310 -0.254 30 20 DBED C#CCC[C@@H](O)CNC(=O)c1cccc(CS(N)(=O)=O)c1 799074683 MZGUFCZYOQARCL-CYBMUJFWSA-N 310.375 -0.021 30 20 DBED C#CCCCS(=O)(=O)N1CCN(CC(=O)NCC#C)CC1 804986749 PFWGWZCEFNTVFB-UHFFFAOYSA-N 311.407 -0.903 30 20 DBED Cn1ccnc1[C@](O)(CC(=O)NCC#CCO)C(F)(F)F 816536931 OBEWESDYTJHCHY-LLVKDONJSA-N 305.256 -0.328 30 20 DBED C#CC[C@@H](NS(=O)(=O)c1ccc2c(c1)nnn2C)C(=O)OC 827684833 YJUOZNRYNCEWME-SNVBAGLBSA-N 322.346 -0.189 30 20 DBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@@H]1CCCN1C=O 831346531 KPUXIOHZQMGFMS-LBPRGKRZSA-N 304.354 -0.125 30 20 DBED C#CCOCCOC(=O)[C@@H](C)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 853901546 DRWTWFULEPVKOI-VEGXAWMVSA-N 321.329 -0.270 30 20 DBED CN(C)c1ncc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](O4)[C@@H]3C2=O)n1C 872424059 CJHSTPUMLYAQTJ-WYUUTHIRSA-N 315.333 -0.242 30 20 DBED C#C[C@@H](NC(=O)NCCCN1CCC[C@H]1C(N)=O)[C@H]1CCCO1 875507270 WVDJHYAYEBBXJN-HZSPNIEDSA-N 322.409 -0.194 30 20 DBED CCn1cc(/C=C/C(=O)c2c(O)n(C)c(=O)n(C)c2=O)cn1 876497940 IVNLFWOOJMWJJL-AATRIKPKSA-N 304.306 -0.098 30 20 DBED C#CCN1CCN(C(=O)CN2[C@@H](C)[C@@H](C)N(C)C(=O)[C@H]2C)CC1 878753402 YSXCFHRZWSMJPM-QLFBSQMISA-N 320.437 -0.297 30 20 DBED C#CCn1cc(CNS(=O)(=O)C[C@H](COC)OC)cn1 882349275 MBIHTWWQPYRBRP-LBPRGKRZSA-N 301.368 -0.403 30 20 DBED C#CCN1CCC[C@H](NC(=O)N2CCC(NC(N)=O)CC2)C1 890369511 XGJPDHHMFYPKMB-ZDUSSCGKSA-N 307.398 -0.074 30 20 DBED C#CC1(O)CN(C(=O)c2ccc(S(=O)(=O)N3CCCC3)o2)C1 890520163 FVQIFSXCTHPXTF-UHFFFAOYSA-N 324.358 -0.116 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H]2C[C@@H]2C)CC1 892060368 JGNHEBHQSYZOLC-NWDGAFQWSA-N 314.411 -0.563 30 20 DBED C#CCNC(=O)CCN[C@H]1CCCN(CCN2CCOCC2)C1 905446758 LRPXPLUHTYKEDZ-INIZCTEOSA-N 322.453 -0.488 30 20 DBED CC[C@H](CN1CCOCC1)NS(=O)(=O)N(C)CCC#N 921435490 BQPYGFDFYLONFV-GFCCVEGCSA-N 304.416 -0.223 30 20 DBED CN(C(=O)c1nc[nH]n1)[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 937063406 SUTIIGHYVJMERH-JTQLQIEISA-N 313.321 -0.009 30 20 DBED CO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)c1n[nH]cc1F 946601988 YOVUSHPBBOSYTD-VXGBXAGGSA-N 320.324 -0.082 30 20 DBED C[C@H](C#N)C(=O)N1CC(N(C)C(=O)c2cccnc2C(N)=O)C1 954430284 WJDAKYDRFCZNHP-SECBINFHSA-N 315.333 -0.377 30 20 DBED CN1C[C@H](C(=O)N[C@]2(C)CCN(C(=O)C#CC3CC3)C2)NC1=O 957272492 LUESZAIEAIRRBN-MLGOLLRUSA-N 318.377 -0.469 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cccc(C(=O)NC)n2)C1 958630646 JZQOJDHSXSNBCS-SMDDNHRTSA-N 316.361 -0.903 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)C2CCN(C(C)=O)CC2)C1 958657344 HEQRQUVWGMAXGO-CABCVRRESA-N 307.394 -0.713 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cc2cncn2C)C1 958896859 CURFVJUWKMSFEF-WXHSDQCUSA-N 319.365 -0.848 30 20 DBED Cc1ncn(C)c1C(=O)NC[C@@H]1COCCN1C(=O)[C@@H](C)C#N 964231196 CJRCLJUZZOBVIX-CMPLNLGQSA-N 319.365 -0.155 30 20 DBED C=CCn1cc(C(=O)N2CC3(CC[C@H](CNC(C)=O)O3)C2)nn1 965506622 BWFFOGLXVLPGTD-GFCCVEGCSA-N 319.365 -0.026 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(C[C@@H](NC(=O)c3cncn3C)CO2)C1 965732634 LJCPTJCBCOYKMG-WDEREUQCSA-N 317.349 -0.321 30 20 DBED C[C@@H](C#N)C(=O)N1CC(N2CCN(C(=O)c3cn[nH]c3)CC2)C1 967189317 PFESWWZXTBKFGA-NSHDSACASA-N 316.365 -0.462 30 20 DBED CC#CCN1CC[C@@H](C)[C@@H](NC(=O)c2nnc(O)nc2O)C1 967251803 BOFMVFANUOFMJL-ZJUUUORDSA-N 305.338 -0.254 30 20 DBED CCN(C(=O)c1ncn(C)n1)C1CN(C(=O)C#CC2CC2)C1 967931626 NYOSIYDGINUGEJ-UHFFFAOYSA-N 301.350 -0.099 30 20 DBED C[C@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)[C@@H]1CCN(C)C1=O)C2 969816601 DJHXFTBGKXGJSY-MROQNXINSA-N 318.377 -0.174 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1nc[nH]n1 970067566 NJKMKHOLQJMZDJ-GARJFASQSA-N 302.338 -0.291 30 20 DBED C#CCN1C[C@H]2CC[C@H]1CN2C(=O)[C@@H]1CN(C(C)=O)CCO1 972070113 OIJRIGWTLSMZRA-ZNMIVQPWSA-N 305.378 -0.458 30 20 DBED C#Cc1cncc(C(=O)NC[C@H]2[C@@H]3CN([C@H](C)C(N)=O)C[C@H]23)c1 978696039 HAOQGTMUOJMSES-QZKOUSHUSA-N 312.373 -0.156 30 20 DBED C=CCN1C[C@H]2[C@H](CNC(=O)c3cn(C)c(=O)nc3O)[C@H]2C1 979077931 YAVRWXSVJBAMTH-RTCCRHLQSA-N 304.350 -0.421 30 20 DBED CC#CCN1CCCC2(C1)CN(C(=O)C1CC(=O)NC(=O)C1)C2 982068877 HGLDCVPWZHKWGF-UHFFFAOYSA-N 317.389 -0.013 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)Cc3nc[nH]n3)C[C@H]2C1 986596544 XWSXSPQUESWUFO-TUAOUCFPSA-N 316.365 -0.186 30 20 DBED NC(=O)c1cc(C(=O)NC2CN(C(=O)C#CC3CC3)C2)c[nH]1 991772269 IHNIBPXKRXMLOU-UHFFFAOYSA-N 300.318 -0.532 30 20 DBED C=C(C)CN1CCC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@@H]1C 993333692 HXONKGNOFZFRKL-NWDGAFQWSA-N 320.397 -0.078 30 20 DBED CN1C(=O)CN(CC(=O)N2C[C@H](NCC#N)C(C)(C)C2)C1=O 996511477 KFQHORZYNVGMFO-JTQLQIEISA-N 307.354 -0.769 30 20 DBED C=CCNC1CC(N(C)C(=O)[C@H]2CCN(C)S2(=O)=O)C1 999536490 RPFOASYOISHNRK-HTAVTVPLSA-N 301.412 -0.215 30 20 DBED N#CCN[C@H]1CCCN(C(=O)C2CC3(C2)NC(=O)NC3=O)C1 1000441080 DDUVRPRSWXOCBG-XIRUVYRFSA-N 305.338 -0.921 30 20 DBED C=CCn1cc(C(=O)NCC2=CCN(CC(N)=O)CC2)nn1 1001241340 JUCFYZMFWNCHLS-UHFFFAOYSA-N 304.354 -0.689 30 20 DBED C#CCN1CCC(CNC(=O)[C@H]2CN(C(C)=O)CCO2)CC1 1002095801 IPQXAYVEQPVGJR-OAHLLOKOSA-N 307.394 -0.305 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)c2nnn(C)n2)C1 1008031436 HJYOXJYGPLVAOH-BFVZDQMLSA-N 317.353 -0.519 30 20 DBED C=CCN1CC[C@H](N2CC[C@@H](NC(=O)c3cn(C)nn3)C2)C1=O 1010863296 UESRMRDZRAGWEZ-YPMHNXCESA-N 318.381 -0.594 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C(=O)C2CCN(C(N)=O)CC2)CC1 1011119950 QHJHQVIXGXMEMA-LLVKDONJSA-N 321.381 -0.392 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(CN(C(=O)CCn3cncn3)C2)C1 1018793079 UNAIRYNOMAALKW-LBPRGKRZSA-N 316.365 -0.111 30 20 DBED C[C@@H](NC(=O)c1cn(CC(N)=O)nn1)[C@H]1CCCN(CC#N)C1 1025630104 PAAFRTBSRMXORJ-MNOVXSKESA-N 319.369 -0.883 30 20 DBED C#CCCN1CC[C@H](CNC(=O)[C@@H]2COCCN2C(C)=O)C1 1028993973 KHZYLLNFGSZDSB-CABCVRRESA-N 307.394 -0.305 30 20 DBED C=C(C)CN1[C@H]2CC[C@H]1CN(C(=O)c1cn(CC(N)=O)nn1)C2 1029597469 TYKJGHDGBCYXTQ-RYUDHWBXSA-N 318.381 -0.372 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)[C@@H]3CCCNC3=O)C2)C1=O 1030478268 DTHPPGYQIMYXFP-OLZOCXBDSA-N 320.393 -0.900 30 20 DBED N#CCN1C[C@@H]2C[C@H]1CN2C(=O)c1coc(S(N)(=O)=O)c1 1032482410 BMRHENJIJLVDEA-UWVGGRQHSA-N 310.335 -0.651 30 20 DBED N#CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CN2CC3CC2(CO1)C3 1032529632 QJTCWWJZSPCLEJ-JGNFHWBKSA-N 302.378 -0.342 30 20 DBED CC#CCN1CCO[C@@H](CNC(=O)c2ccc(=O)n(C)c2)C1 1035428348 WVRXKIQIOGXYKL-AWEZNQCLSA-N 303.362 -0.161 30 20 DBED CC(C)N1CCO[C@H](C(=O)NC[C@H]2CN(CC#N)CCO2)C1 1035484325 ZPGDPOKBQYYTBO-KBPBESRZSA-N 310.398 -0.564 30 20 DBED C=CCN1CC2(CCN(C(=O)CN3CCN(C)C(=O)C3)CC2)C1 1035740538 ISGDVJPVKFPBTN-UHFFFAOYSA-N 320.437 -0.129 30 20 DBED C=CCCN1C[C@H]2C[C@H]1[C@H]2NC(=O)c1cc(=O)n2[nH]cnc2n1 1037672664 OIDMBCZGNSNHOQ-CDMKHQONSA-N 314.349 -0.204 30 20 DBED Cc1nonc1C(=O)N1CC[C@](O)(CNC(=O)C#CC(C)C)C1 1039665026 CLYFPZANHVBHLV-HNNXBMFYSA-N 320.349 -0.269 30 20 DBED C[C@@H]1CN(C(=O)CC(N)=O)C[C@@]1(C)CN=c1cc[nH]c(C#N)n1 1040315921 WWOHSPMOGWMRBJ-MEBBXXQBSA-N 316.365 -0.458 30 20 DBED CC(C)C#CC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2CCC(=O)N2)C1 1040434589 CEHVYYQZXZGIAX-BLLLJJGKSA-N 321.377 -0.996 30 20 DBED C=C(C)CCC(=O)N1CC[C@@](O)(CNC(=O)c2nc[nH]n2)C1 1040548882 BDTYTQWBJGSPQT-CQSZACIVSA-N 307.354 -0.146 30 20 DBED C=CCO[C@H](C)C(=O)N1CC[C@](O)(CNC(=O)c2nc[nH]n2)C1 1040550340 JXFOJGMJXBFRJA-YGRLFVJLSA-N 323.353 -0.911 30 20 DBED C=C(C)C[C@H](C)C(=O)NC[C@]1(O)CCN(C(=O)CC(N)=O)C1 1040626394 REFXRHIBMSVKKH-XHDPSFHLSA-N 311.382 -0.456 30 20 DBED CC(C)C#CC(=O)N1CC[C@@](O)(CNC(=O)c2cnon2)C1 1040664660 DTTBWNFEHCPPPT-CQSZACIVSA-N 306.322 -0.578 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)c2ncccn2)C1 1040758599 ARDULIYIQZMEDF-HZMBPMFUSA-N 303.322 -0.671 30 20 DBED C[C@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)C23CCN(CC2)C3)C1 1040761652 UWSGZHTVDXHBCU-MLGOLLRUSA-N 320.393 -0.679 30 20 DBED N#CCN1CCC2(CC1)CCN(C(=O)CN1C(=O)CCC1=O)C2 1040930421 NEAFRZVNYWTPLB-UHFFFAOYSA-N 318.377 -0.027 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)CCc2nc[nH]n2)C1 1041956258 CJAACGKRDGQBET-UHFFFAOYSA-N 307.354 -0.607 30 20 DBED C=C(C)C[C@H](C)C(=O)N1CC(O)(CNC(=O)CC(=O)NC)C1 1042740907 AXASOLVVWWTZPR-NSHDSACASA-N 311.382 -0.586 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(O)CN(C(=O)Cc2cnoc2)C1 1042813768 FBPSIOXIYAIUBA-CQSZACIVSA-N 323.349 -0.766 30 20 DBED C#CCCCCC(=O)N1CC(O)(CNC(=O)c2cnnn2C)C1 1042848995 HBVIQSQACVCLBH-UHFFFAOYSA-N 319.365 -0.688 30 20 DBED O=C(C#CC1CC1)NCC1(O)CN(C(=O)c2ccns2)C1 1042961486 YXNABYVRCQCCAO-UHFFFAOYSA-N 305.359 -0.140 30 20 DBED COCC1(C(=O)N2CC(O)(CNC(=O)C#CC3CC3)C2)CC1 1042963507 ODOCFWDDZDLUKE-UHFFFAOYSA-N 306.362 -0.484 30 20 DBED C[C@@H]1OCC[C@]1(C)C(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042964917 QNEKJCYOYFNJFQ-LRDDRELGSA-N 320.389 -0.096 30 20 DBED C=C(C)CCC(=O)NCC1(O)CN(C(=O)[C@@H]2CC[C@H]2C(N)=O)C1 1043315635 QEXBLYVVNIBUDN-VXGBXAGGSA-N 323.393 -0.456 30 20 DBED C[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)C[C@H]1Nc1ccc(C#N)nn1 1043474534 PJCGAUJBELCTHC-FBIMIBRVSA-N 315.337 -0.712 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)[C@H]2CCCC(=O)N2)C1 1043514256 NJUJJNXESDPUNI-GFCCVEGCSA-N 321.377 -0.852 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)/C(C)=C\C)C1 1043648500 GCDKCJJEHKVLBI-UUSOHVMFSA-N 319.405 -0.260 30 20 DBED Cc1cc[nH]c1C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@@H]1O 1043922404 CRTMEVZDVLCSJX-NEPJUHHUSA-N 312.333 -0.036 30 20 DBED Cc1nc[nH]c1C(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@@H]1O 1044034908 HNVWDKZODBWRFD-NEPJUHHUSA-N 312.333 -0.036 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)CCCC(=O)N(C)C)C1 1044047153 HTYGWGAKDBORMT-LLVKDONJSA-N 324.381 -0.906 30 20 DBED C=CCN1CC[C@@H](N2CC(N(C)C(=O)Cc3ncc[nH]3)C2)C1=O 1044091941 MXZDCSZSMJECKE-CYBMUJFWSA-N 317.393 -0.118 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)[C@@H](COC)OC)C1 1044469837 GIKWNPGUPDSDES-LLVKDONJSA-N 314.382 -0.451 30 20 DBED C=C[C@@H](C)[C@H](C)C(=O)NCC1(O)CN(C(=O)c2cn(C)nn2)C1 1044980272 LKRDBONWGGGASR-MNOVXSKESA-N 321.381 -0.424 30 20 DBED C=CCCCC(=O)NCC1(O)CN(C(=O)CNC(=O)CC)C1 1045451539 UTMGIQDRVFUBCK-UHFFFAOYSA-N 311.382 -0.442 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)[C@@H]2CCO[C@H]2C2CC2)C1 1045546884 SBMRWBQGENRRHV-UHTWSYAYSA-N 321.377 -0.349 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)CCc2ccncn2)C1 1045550873 AVEWJYZXGHBFCJ-LLVKDONJSA-N 317.349 -0.742 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)CN2CCC(C)(C)C2)C1 1045554560 GBYVNIBVKUVAKC-LBPRGKRZSA-N 322.409 -0.433 30 20 DBED C=CCCN1CC[C@@](C)(NC(=O)[C@H]2CCS(=O)(=O)N2)C1 1046844817 SFJFYPMOFQRQHD-DGCLKSJQSA-N 301.412 -0.165 30 20 DBED C=CCN1CC[C@@H](NC[C@]2(C)CCN(C(=O)CC(N)=O)C2)C1=O 1046886726 IKADSPABVAWBRV-WBMJQRKESA-N 322.409 -0.523 30 20 DBED N#CCN1C[C@H]2C[C@H](NC(=O)CN3CC(=O)NC3=O)C[C@H]1C2 1047162430 KKAHDVWACQQEBV-GARJFASQSA-N 305.338 -0.969 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3nnnn3c2)C1 1047458096 WTXGZEUZVZRYQW-RYUDHWBXSA-N 302.338 -0.573 30 20 DBED CCC(=O)N1CC[C@@H](C(=O)N(C)[C@H]2CN(CC#N)C[C@@H]2O)C1 1047588352 KAIPFNSCFZJVJZ-AGIUHOORSA-N 308.382 -0.728 30 20 DBED C#CCCCC(=O)N(C)[C@H]1CN(C(=O)[C@H]2CCN(C)C2)C[C@@H]1O 1048753971 HXOTUHNFUXRBAT-KKUMJFAQSA-N 321.421 -0.228 30 20 DBED C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)CN1C(=O)CNC1=O 1049886645 SUDXNLJYVAZFNY-NEPJUHHUSA-N 306.366 -0.211 30 20 DBED N#CCN1CCN([C@@H]2CCN(C(=O)c3ccncn3)C2)CC1 1052098048 CERQERHQWHECFN-CYBMUJFWSA-N 300.366 -0.168 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](C)[C@H](CNC(=O)C(C)C)C1 1052391302 LCHQKOKFJUJOLI-CHWSQXEVSA-N 307.394 -0.007 30 20 DBED C#CCN1CCC(C(=O)N[C@H]2CCCN(CC(N)=O)CC2)CC1 1052958395 MWUJYDICJGVVBQ-HNNXBMFYSA-N 320.437 -0.212 30 20 DBED C=CCN1CC2(C1)CN(C(=O)[C@H]1CCN(C(C)=O)C1)CCO2 1053520484 QGRNMPTWDSZEQG-AWEZNQCLSA-N 307.394 -0.046 30 20 DBED C=CCN1CC2(C1)CN(C(=O)C1CCN(C(N)=O)CC1)CCO2 1053528855 UAVMGEPNPOSDKL-UHFFFAOYSA-N 322.409 -0.124 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)C[C@@H]3CCC(=O)N3)CO2)C1 1053954374 OTTPTGKIUNGVPL-STQMWFEESA-N 305.378 -0.362 30 20 DBED N#Cc1cncc(N2CCN(C(=O)c3ccc(O)nn3)CC2)n1 1055714527 DWOVEEUVUPONRI-UHFFFAOYSA-N 311.305 -0.194 30 20 DBED C#CCCCC(=O)N1CCC[C@@](CO)(NC(=O)CC(N)=O)C1 1055846305 UCUOICGQVOFBAF-OAHLLOKOSA-N 309.366 -0.865 30 20 DBED C[C@H](C#N)C(=O)N[C@]1(CO)CCCN(C(=O)c2cocn2)C1 1056094131 QNHSFQSFXFDYCA-QMTHXVAHSA-N 306.322 -0.082 30 20 DBED N#Cc1cncc(N2C[C@H]3[C@H](NC(=O)[C@@H]4COC(=O)N4)[C@H]3C2)n1 1056195484 URADZPMIDDVUDR-MIZYBKAJSA-N 314.305 -0.993 30 20 DBED C#CCCCCC(=O)N(CCO)CCNC(=O)Cn1cncn1 1057389702 FJCPRWKXLWQKEU-UHFFFAOYSA-N 321.381 -0.591 30 20 DBED C=C[C@@](C)(O)CC(=O)N(CCO)CCNC(=O)[C@@H](C)OC 1057449581 FBGDYRORQKISIQ-BXUZGUMPSA-N 302.371 -0.715 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)Cc1cc[nH]n1 1057517304 PHOMEVPWFNSFQA-UHFFFAOYSA-N 306.366 -0.451 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)c1n[nH]cc1C 1057528797 FIHQTWGHSWEQJT-UHFFFAOYSA-N 310.354 -0.529 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)CCCn1ccnn1 1057824402 APMMUMHBFOJNSC-GFCCVEGCSA-N 322.369 -0.845 30 20 DBED N#Cc1ccc(N2CCC[C@H](NC(=O)[C@@H]3COC(=O)N3)C2)nn1 1058152374 RFCHHEQMYBKCOB-QWRGUYRKSA-N 316.321 -0.458 30 20 DBED N#Cc1cncc(N2CC[C@@H](NC(=O)c3ccc(O)nn3)C2)n1 1058288471 DBJKRPDIJAKRTE-SECBINFHSA-N 311.305 -0.147 30 20 DBED CN1CCOC[C@H]1C(=O)N[C@@H]1CCN(c2cncc(C#N)n2)C1 1058318864 HREJTVWWNSRTCQ-YPMHNXCESA-N 316.365 -0.626 30 20 DBED C=C[C@H](CC)CC(=O)N(CCO)CCNC(=O)CNC(C)=O 1058465966 CSYZRAGBBAJJCW-CYBMUJFWSA-N 313.398 -0.338 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)[C@H](C)c1cnn(C)c1 1058657023 ORNLXYDOZUKIMH-VXGBXAGGSA-N 321.381 -0.380 30 20 DBED CN1C[C@@H](C(=O)N[C@H]2C[C@@H](N=c3cc[nH]cc3C#N)C2)NC1=O 1059781599 FQNYUNBZAKLYBJ-LOWVWBTDSA-N 314.349 -0.542 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)COCC1CC1 1061342494 AZQMEHOITAFAGK-AAEUAGOBSA-N 309.366 -0.084 30 20 DBED C#CCCCC(=O)NC[C@@H]1COCCN1C(=O)CC(=O)N(C)C 1061540383 JRQWQAYIVHLFQG-CYBMUJFWSA-N 323.393 -0.388 30 20 DBED CC#CCCCC(=O)N1CCOC[C@H]1CNC(=O)c1nc[nH]n1 1061768876 NOQMWPDYIMLMMA-GFCCVEGCSA-N 319.365 -0.045 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1[C@H]2COC[C@H]21 1061851415 NXXZNBPQQTXECZ-KVSVUVNWSA-N 307.350 -0.618 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)COCC(F)F 1061854459 ZSQXYLZULVOKQX-ZJUUUORDSA-N 319.308 -0.229 30 20 DBED N#Cc1ccc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)Cn2cncn2)nc1 1064256642 AYWHBQVEYLWIMG-TYNCELHUSA-N 309.333 -0.062 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H]1CN(C(=O)[C@H](C)CC)CCO1 1064870112 HGTZPEOLMGMFMS-CHWSQXEVSA-N 323.393 -0.484 30 20 DBED C#CCCCC(=O)N1CC[C@H](N2CCN(C(=O)C(N)=O)CC2)C1 1065699273 JMUJAEXTHDQBMU-ZDUSSCGKSA-N 320.393 -0.980 30 20 DBED C[C@H]1CN(C(=O)c2nnn(C)n2)C[C@@H]1Nc1nccnc1C#N 1067176974 SIVWDBBRQWCHSV-WPRPVWTQSA-N 313.325 -0.556 30 20 DBED Cc1cc(=N[C@H](C)[C@@H]2CN(C(=O)C(N)=O)CCO2)c(C#N)c[nH]1 1068243223 GWPVTRLLDBXBKW-MFKMUULPSA-N 317.349 -0.803 30 20 DBED C=CCCC(=O)N1CC2(C1)CN(C(=O)c1cnn(C)n1)CCO2 1068412043 GNNGBNQNSBIMOI-UHFFFAOYSA-N 319.365 -0.165 30 20 DBED N#CCSCC(=O)N[C@H]1COC2(C1)CN(C(=O)C(F)F)C2 1068711045 PAYSNMSITHYZEO-MRVPVSSYSA-N 319.333 -0.006 30 20 DBED C#CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)CN2CCCC2)C1 1070098495 BYRYNYJRIRZIPG-CABCVRRESA-N 316.409 -0.261 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCCN(C(=O)CC(=O)NC)C1 1070653931 OOFSOKLLVHAGKL-GFCCVEGCSA-N 309.366 -0.730 30 20 DBED C=CCN1C[C@H]2C[C@@H]3CN(C(=O)CN4CCOCC4)C[C@@]3(C1)O2 1070786974 SIUULLHPSLRWHQ-BFYDXBDKSA-N 321.421 -0.194 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)Cc4ccnn4C)C[C@@]3(C1)O2 1070792403 VNJSKZMFKGMJHX-YSVLISHTSA-N 314.389 -0.103 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)[C@H]4CCCNC4=O)C[C@@]3(C1)O2 1070812163 ZBWAOCMBFNOCDH-VWPFQQQWSA-N 317.389 -0.553 30 20 DBED C=C(C)CN1C[C@H]2C[C@H]3CN(C(=O)[C@@H]4CNC(=O)N4)C[C@@]3(C1)O2 1070844558 GSFGECMHBWWCFL-RSUWNVLCSA-N 320.393 -0.454 30 20 DBED CO[C@@H](C(=O)N1CCC(=O)NCCN(CC#N)CC1)C1CCC1 1070983006 XZVDSCHJZFGDRH-OAHLLOKOSA-N 322.409 -0.024 30 20 DBED C=CCOCC(=O)N1C[C@H](C)[C@@H](NC(=O)c2cnnc(O)c2)C1 1071810584 BLUZHKYZNAEZGG-JQWIXIFHSA-N 320.349 -0.039 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2(CF)CC2)C1 1071942506 HZPAZAKKINMAHP-NEPJUHHUSA-N 323.368 -0.161 30 20 DBED C#CCCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)c2nnn(C)n2)C1 1071981360 MZZGIGZFHZPPQY-MNOVXSKESA-N 304.354 -0.410 30 20 DBED CNC(=O)NCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)C#CC2CC2)C1 1072022234 XLPBMHIFILNXAF-YPMHNXCESA-N 320.393 -0.318 30 20 DBED CNC(=O)NCCC(=O)N[C@@H]1CN(C(=O)C#CC(C)C)C[C@H]1C 1072034751 CLUFHLOYHNSJRY-CHWSQXEVSA-N 322.409 -0.072 30 20 DBED CC(C)OCC(=O)N1CCN(C2CN(C(=O)[C@@H](C)C#N)C2)CC1 1073544384 BHMTVIAQXWNANU-ZDUSSCGKSA-N 322.409 -0.074 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(C(=O)c2nnn(C)n2)C[C@@H]1C 1073819210 ATDNFZGRDZTULV-WDEREUQCSA-N 322.369 -0.621 30 20 DBED CC(=O)N1CC[C@@H](C(=O)NC[C@H]2CN(CC#N)CCCO2)C1 1073871537 JEXGBEYFJVEZGQ-KGLIPLIRSA-N 308.382 -0.415 30 20 DBED CNC(=O)NCC(=O)NCC[C@H](C)NC(=O)C#CC(C)(C)C 1076900966 MTBKUNNBHAYBML-NSHDSACASA-N 310.398 -0.024 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCN2C2CCOCC2)C1 1077128808 GCEAOZWVUMOGKN-RBSFLKMASA-N 322.409 -0.685 30 20 DBED C=CCC1(C(=O)NCC[C@H](C)NC(=O)C(N)=O)CCOCC1 1077799451 QEUBDVOIYDACHK-NSHDSACASA-N 311.382 -0.144 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H](C)CCNC(=O)C(=O)NCC1CC1 1078057288 LAHBWXGBDYYZIG-RYUDHWBXSA-N 323.393 -0.438 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(N(CC)C(=O)c2nc[nH]n2)C1 1080249727 XYAUXCZBLRWOCK-CQSZACIVSA-N 307.354 -0.195 30 20 DBED CCN(C(=O)[C@]1(C)CCNC1=O)C1CN(C(=O)[C@H](C)C#N)C1 1080549155 SFYMGTDUZKKSGA-MEBBXXQBSA-N 306.366 -0.268 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@H](CNC(=O)CC(C)(C)O)C1 1081449453 IAGKWIHRWJGKMY-NEPJUHHUSA-N 314.382 -0.715 30 20 DBED O=C(Cc1cnoc1)NC[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1081679798 OXBOIVNSKIUNRF-UONOGXRCSA-N 317.345 -0.434 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1cnn(CCN(C)C)c1 1082223237 KJSYYWKFZGOLOW-ZIAGYGMSSA-N 320.397 -0.603 30 20 DBED C=C(Cl)CN[C@@H]1CN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C[C@H]1C 1082769581 FRKLJOXMSJCCEK-FKTZTGRPSA-N 314.773 -0.227 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CC(=O)N(C(C)C)C2)C1 1083504010 MBNCEQUWWFZAAQ-MCIONIFRSA-N 307.394 -0.572 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)C[C@@H]2CCCS2(=O)=O)C1 1083671260 HKCJDDHVDIRXCG-XQQFMLRXSA-N 314.407 -0.862 30 20 DBED C=C(C)CN1CC[C@@H]2CN(C(=O)C[C@@H]3NC(=O)NC3=O)[C@@H]2C1 1084416789 SLLZLCDBPKKRQD-GRYCIOLGSA-N 306.366 -0.307 30 20 DBED C#CCN[C@H]1C[C@@H](CNC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 1086085786 PDNYXLNXFYMORZ-RWMBFGLXSA-N 315.377 -0.120 30 20 DBED C#CCN[C@@H]1CN(C(=O)Cc2cncnc2)C[C@H]1c1cnn(C)c1 1086976854 PRBAITFKBICZKE-JKSUJKDBSA-N 324.388 -0.030 30 20 DBED CC#CCN1CC[C@H](NC(=O)[C@H]2CCN(C)S2(=O)=O)[C@H]1C 1088913186 KJBYQQPIIVWCKY-FRRDWIJNSA-N 313.423 -0.377 30 20 DBED C#CCCN1CC[C@@H](NC(=O)Cn2cccc(C)c2=O)[C@H](O)C1 1090262940 APXKNFUDVCBPHR-HUUCEWRRSA-N 317.389 -0.269 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2cc(=O)c(OC)co2)[C@@H](O)C1 1090432151 IPPIPUSBHFFIIY-PWSUYJOCSA-N 306.318 -0.553 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2nnn(CC)c2CC)[C@H](O)C1 1090571655 ZIMCOOLDHALXSN-DGCLKSJQSA-N 305.382 -0.341 30 20 DBED C#CCN1CC[C@H](NC(=O)c2ccc(C(N)=O)s2)[C@@H](O)C1 1090643387 FVUUSOAKJIJDEB-UWVGGRQHSA-N 307.375 -0.355 30 20 DBED Cc1ccc(C#N)c(N2C[C@@H](NC(=O)CNC(N)=O)[C@H](C)C2)n1 1090649903 SGYDWIRXBLYNLW-BXKDBHETSA-N 316.365 -0.129 30 20 DBED CC(=O)N[C@@H](C)C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1C 1090650279 ZDBJESPMBYLZGV-GBIKHYSHSA-N 316.365 -0.186 30 20 DBED CC(=O)NCC(=O)NCC1CC(Nc2cncc(C#N)n2)C1 1092186363 MWRFATSCVZEPTR-UHFFFAOYSA-N 302.338 -0.209 30 20 DBED CC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccnc(C#N)n1 1092935540 WLZNEMGCFZXESP-UTUOFQBUSA-N 314.349 -0.290 30 20 DBED CN1C(=O)CC[C@H]1C(=O)N1CCC(OC2CN(CC#N)C2)CC1 1093561865 ZLYAEXUVIMLBQZ-AWEZNQCLSA-N 320.393 -0.177 30 20 DBED CC(C)(C)[C@H](NC(N)=O)C(=O)NCCN=c1cc[nH]cc1C#N 1093744823 IBXIQUDRQKZUMI-GFCCVEGCSA-N 318.381 -0.014 30 20 DBED CCn1nc(C(=O)NCCN=c2cc[nH]cc2C#N)ccc1=O 1093792151 IMUUMEGKJLOFDX-UHFFFAOYSA-N 312.333 -0.206 30 20 DBED N#Cc1cnc(NCCNC(=O)c2cccn3nnnc23)cn1 1093897555 ZZQUPAJLRAGWIU-UHFFFAOYSA-N 309.293 -0.372 30 20 DBED CC(=O)N1CCC[C@H](C(=O)NCCN=c2cc[nH]c(C#N)n2)C1 1093979167 VMTQOODSHOHFNZ-LBPRGKRZSA-N 316.365 -0.443 30 20 DBED Cn1cc(OCC(=O)NCCNc2nccnc2C#N)cn1 1094069612 YELUEYSEOZQOAJ-UHFFFAOYSA-N 301.310 -0.311 30 20 DBED C#CCO[C@H](C)C(=O)NCCCNc1ccc2nnnn2n1 1094595238 VZBURJUOPRLKEB-SNVBAGLBSA-N 303.326 -0.524 30 20 DBED CN1C[C@@H](C(=O)NCCCN=c2cc[nH]cc2C#N)NC1=O 1094708740 CNJNUFVXKNPOET-LBPRGKRZSA-N 302.338 -0.683 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)C[C@@H]3CCCO3)CC2=O)C1 1094708843 GTOSTBUROMLCKE-JSGCOSHPSA-N 305.378 -0.410 30 20 DBED N#CCN1CC(N2C[C@H](NC(=O)[C@H]3CCC3(F)F)CC2=O)C1 1094748953 GXQGNVITNIXHPX-MWLCHTKSSA-N 312.320 -0.043 30 20 DBED N#Cc1ccc(N[C@@H](CNC(=O)CNC(N)=O)C2CC2)nc1 1096566138 SFGPIVCELBGNCP-NSHDSACASA-N 302.338 -0.072 30 20 DBED N#Cc1cccnc1N[C@@H](CNC(=O)Cn1cnnn1)C1CC1 1096568487 YJCWKFJVANMQIU-LBPRGKRZSA-N 312.337 -0.053 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H](CNC(=O)C1(C(N)=O)CC1)C1CC1 1096794792 DYWVBICFMXIYFW-ZDUSSCGKSA-N 313.361 -0.053 30 20 DBED N#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1ccc(-n2cnnn2)cn1 1097578747 ZHJAACKWLRTJQF-HONMWMINSA-N 324.348 -0.084 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H](C)Nc1cc(OCC)ncn1 1097768708 QVADJUCDLCAVRV-LLVKDONJSA-N 319.365 -0.069 30 20 DBED C[C@H](CNC(=O)[C@H]1CN(C)CCO1)N=c1cc[nH]cc1C#N 1097769020 XUFAAWSYQGUOPJ-BXUZGUMPSA-N 303.366 -0.378 30 20 DBED C[C@@H](CNC(=O)[C@H](C)N1CCOCC1)N=c1cc[nH]c(C#N)n1 1097924569 AMGRZBVCOPNWDG-RYUDHWBXSA-N 318.381 -0.593 30 20 DBED CCc1nc(C#N)cc(N[C@@H](C)CNC(=O)Cn2ncnn2)n1 1098084856 WKTLTYCEGZYRGB-VIFPVBQESA-N 315.341 -0.486 30 20 DBED Cc1cc(=N[C@H](C)CNC(=O)c2c[nH]c(=O)cn2)c(C#N)c[nH]1 1098221090 SLRHDEJJQOHDER-SNVBAGLBSA-N 312.333 -0.003 30 20 DBED C[C@@H]1CN(C(=O)Cn2cnnn2)CC2(CCN(CC#N)CC2)O1 1098565693 RVEAISNCTQWSPP-GFCCVEGCSA-N 319.369 -0.721 30 20 DBED CNC(=O)CNCc1cn([C@H]2CCN(C(=O)[C@@H](C)C#N)C2)nn1 1098632957 GYFMUMFJONCOAL-JQWIXIFHSA-N 319.369 -0.953 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC[C@@H](n2cc(CNCC#N)nn2)C1 1098669409 QAAKPFSUYBISDI-HIFRSBDPSA-N 318.381 -0.008 30 20 DBED CC1(C)CC[C@@H](CNC(=O)CN2CC(=O)NC2=O)N(CC#N)C1 1099270453 MIHRBUCWMBEKIC-NSHDSACASA-N 321.381 -0.331 30 20 DBED C#CCN1C[C@H](NC(=O)C2(C(N)=O)CC2)CC2(CCOCC2)C1 1099590701 HYXTYOQZKTYGTB-CYBMUJFWSA-N 319.405 -0.128 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)COCC2CC2)[C@@H](O)C1 1099701745 IXDBBHTYWYYJAT-CABCVRRESA-N 310.394 -0.386 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)Cn2cc(C)cn2)[C@@H](O)C1 1099712224 MAWISSATQDTTNE-GJZGRUSLSA-N 322.409 -0.054 30 20 DBED COCC#CCN1CC[C@H](NC(=O)Cc2cccnc2)[C@@H](O)C1 1099774450 AURJDYVNLMEQLP-HOTGVXAUSA-N 317.389 -0.175 30 20 DBED CC(=O)NC1(C(=O)N[C@H]2CCN(CC#N)C[C@H]2O)CCCCC1 1099894338 JFROFYWGKJPDKP-UONOGXRCSA-N 322.409 -0.100 30 20 DBED CN(CCNC(=O)CCn1ccnn1)c1cncc(C#N)n1 1100075642 UVPWQBFHQMIENJ-UHFFFAOYSA-N 300.326 -0.418 30 20 DBED N#CCNC(=O)CNC1CC(CNC(=O)c2ccc(C#N)[nH]2)C1 1100246012 NPLUVFPAEAHALW-UHFFFAOYSA-N 314.349 -0.376 30 20 DBED COCC#CCNC1CC(CNC(=O)CO[C@@H]2CCOC2)C1 1100327366 CSPOBFBFATWVCG-YMAMQOFZSA-N 310.394 -0.074 30 20 DBED C[C@@H](C(=O)NCCN(C)c1ccc(C#N)nn1)[C@@H]1CCC(=O)N1 1100333264 BRKDWKWDQSIMOA-PWSUYJOCSA-N 316.365 -0.185 30 20 DBED CCN(CCNC(=O)[C@@H]1CN(C)CCO1)c1nccnc1C#N 1100495893 KIADDRCBQAFUBH-ZDUSSCGKSA-N 318.381 -0.379 30 20 DBED CCC(=O)NCC(=O)NC[C@@H]1CCN(c2cnc(C#N)cn2)C1 1100952272 VPONMLHYTKPCPC-NSHDSACASA-N 316.365 -0.183 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(CC(=O)NC2CC2)C[C@H]1C 1101962027 RJYNQRPDAPKDQW-ZIAGYGMSSA-N 321.421 -0.011 30 20 DBED COCC(=O)N[C@@H](C)C(=O)N(C)CCN=c1cc[nH]cc1C#N 1102008121 CQNWVULGEGBNKP-NSHDSACASA-N 319.365 -0.603 30 20 DBED CN(C[C@@H]1CCN(C(=O)CNC(N)=O)C1)c1ccc(C#N)cn1 1102428368 ZDUBLMKMPNJKFN-LBPRGKRZSA-N 316.365 -0.094 30 20 DBED CC[C@H](CNC(=O)CCNC(N)=O)Nc1cnc(C#N)cn1 1103091998 KDSORFBYBZZKOW-SECBINFHSA-N 305.342 -0.287 30 20 DBED C[C@@H](CC(=O)N(C)[C@H](C)CN=c1cc[nH]c(C#N)n1)NC(N)=O 1104684712 CLXCIUYFHBJXLF-VHSXEESVSA-N 319.369 -0.524 30 20 DBED C[C@@H](CC(N)=O)C(=O)N(C)[C@@H](C)CN=c1cc[nH]c(C#N)n1 1104752590 QITDELBCCVMGOP-UWVGGRQHSA-N 304.354 -0.460 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)COCC2CC2)nn1 1105719134 YJCCXMIYNQFPHF-GFCCVEGCSA-N 305.338 -0.336 30 20 DBED Cc1nsc(NC[C@@H](O)CNC(=O)CSCC#N)n1 1105755645 UXWDWMSJPTWJBC-QMMMGPOBSA-N 301.397 -0.008 30 20 DBED N#Cc1nccnc1NC[C@@H](O)CNC(=O)Cc1cccnc1 1105820367 XDXYWKOHUVYERW-LBPRGKRZSA-N 312.333 -0.125 30 20 DBED CO[C@@H](C(=O)NC[C@H](O)CNc1cncc(C#N)n1)C(C)C 1106092635 KCNRSJRCHYPJAB-DGCLKSJQSA-N 307.354 -0.092 30 20 DBED Cc1cc(=NC[C@@H](O)CNC(=O)CC(=O)N(C)C)c(C#N)c[nH]1 1106133906 OQFSDBCQXFIXCZ-GFCCVEGCSA-N 319.365 -0.949 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1C 1106545776 HXIOVSXMIPONAZ-VXGBXAGGSA-N 306.370 -0.842 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)[C@@H]1CCN(C)C1=O 1106913704 LWBGWLOODLTLLZ-LLVKDONJSA-N 316.365 -0.491 30 20 DBED CN1CCOC[C@@H]1C(=O)NC/C=C/CN=c1cc[nH]cc1C#N 1107162306 QTERYRMJPGKVOD-XYBNCVKDSA-N 315.377 -0.210 30 20 DBED CN1CC[C@H](C(=O)NC/C=C/CNc2ccc(C#N)nn2)C1=O 1107459932 KMAZXHYDIVMZBC-QAVQXKDTSA-N 314.349 -0.089 30 20 DBED C#CCNC(=O)CN1CCO[C@](C)(CNC(=O)C2CCC2)C1 1107676531 CCFABYVGJCASFC-MRXNPFEDSA-N 307.394 -0.257 30 20 DBED CN(C)c1cnc(C(=O)NC[C@]2(C)CN(CC#N)CCO2)cn1 1107945194 AQOLJCJDEDLYDU-OAHLLOKOSA-N 318.381 -0.113 30 20 DBED C[C@@H](CC(=O)N[C@H](C)CN=c1cc[nH]cc1C#N)NC(N)=O 1107950521 MNYQCSBONKCIPO-VHSXEESVSA-N 304.354 -0.261 30 20 DBED CCn1cc(CC(=O)N[C@H](C)CN=c2cc[nH]c(C#N)n2)nn1 1108247967 YSQLZMUJAMOHSR-SNVBAGLBSA-N 314.353 -0.459 30 20 DBED Cc1cc(=NC[C@H](C)NC(=O)[C@H]2CCC(=O)N2)c(C#N)c[nH]1 1108310484 HBRNBBVLARKMPR-CMPLNLGQSA-N 301.350 -0.121 30 20 DBED C[C@@H](CNc1cnc(C#N)cn1)NC(=O)[C@H]1COCCN1C 1108319846 JLZOSHKMBIZPST-CMPLNLGQSA-N 304.354 -0.405 30 20 DBED C=CCNC(=O)CN1CC(N2C[C@H](NC(=O)C(C)C)CC2=O)C1 1108505798 DPFJBNJXRPPSAA-GFCCVEGCSA-N 322.409 -0.654 30 20 DBED CCc1nc(C#N)cc(NC[C@H](C)NC(=O)[C@@H]2CCNC2=O)n1 1108635419 MBBCPGNCDGQFQU-GXSJLCMTSA-N 316.365 -0.037 30 20 DBED C[C@H](CN(C)c1ccc(C#N)nc1)NC(=O)Cn1cnnn1 1108850881 RUMDILIKADOGTK-SNVBAGLBSA-N 300.326 -0.419 30 20 DBED C[C@@H](CN(C)c1cnc(C#N)cn1)NC(=O)Cn1nccn1 1109103596 KQPINSHMIFTKNL-JTQLQIEISA-N 300.326 -0.419 30 20 DBED CN(CCCNc1nccnc1C#N)C(=O)Cn1cncn1 1109448894 STZCNEBUIFWXQK-UHFFFAOYSA-N 300.326 -0.100 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(Nc2nccn3nnnc23)CC1 1110236216 IPKRERSDGFEHOR-JTQLQIEISA-N 315.337 -0.382 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCN1C(=O)CNC1=O 1110401433 CSJXAYKSASXNIH-QCNOEVLYSA-N 319.365 -0.581 30 20 DBED CN(C)CCC(=O)NC[C@@]1(O)CCN(c2cncc(C#N)n2)C1 1111126409 WGBVHJZAXUCPPK-HNNXBMFYSA-N 318.381 -0.643 30 20 DBED Cn1nncc1C(=O)N(CCO)CCN=c1cc[nH]cc1C#N 1111460278 UCSHEQPLFKKKFW-UHFFFAOYSA-N 315.337 -0.950 30 20 DBED N#Cc1ccc(NCCN(CCO)C(=O)Cn2nccn2)cn1 1111516407 CCTSRSGMSKQIIJ-UHFFFAOYSA-N 315.337 -0.522 30 20 DBED N#CCNC(=O)CN1C[C@@H]2CCC[C@]2(NC(=O)c2ncc[nH]2)C1 1111734209 PENMSCNVWRGIJA-NHYWBVRUSA-N 316.365 -0.366 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCC[C@]2(NC(=O)c2ncc[nH]2)C1 1111734313 TXFYBBGBEZDWGC-LRDDRELGSA-N 315.377 -0.257 30 20 DBED N#Cc1cncc(NC2(CNC(=O)CCNC(N)=O)CCC2)n1 1111808379 OLTYVTNJPAWLNM-UHFFFAOYSA-N 317.353 -0.143 30 20 DBED C[C@H](NC(=O)c1cnnn1C)[C@@H](C)N=c1cc[nH]c(C#N)n1 1113023285 FYYAOELYKIFLMN-BDAKNGLRSA-N 300.326 -0.482 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)c2cncn2C)CC1 1113074064 ZGZBIIPMSUWPOJ-GFCCVEGCSA-N 303.366 -0.684 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)[C@@]2(F)CCOC2)CC1 1113257117 PSTJWUGGOZPVAL-IUODEOHRSA-N 313.373 -0.050 30 20 DBED CCSCCC(=O)NC1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]12 1113942324 LZZKJIVDMNOZSX-GHMZBOCLSA-N 310.423 -0.184 30 20 DBED CCNC(=O)CN1C[C@H]2C(NC(=O)c3cc(C#N)c[nH]3)[C@@H]2C1 1114103105 FXJIQIPLGHJSSJ-GHMZBOCLSA-N 301.350 -0.318 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3ccn(C)c3)[C@H]2C1 1114137105 RYBKTWYJZXMLMQ-NHAGDIPZSA-N 300.362 -0.566 30 20 DBED C#CCCCCC(=O)NC1[C@H]2CN(Cc3nc(=O)n(C)[nH]3)C[C@H]12 1114160476 YUCMTHVXMCREPA-RYUDHWBXSA-N 317.393 -0.152 30 20 DBED COCC#CCN1C[C@@H]2C(NC(=O)C3CN(C(C)=O)C3)[C@H]2C1 1114182330 KBXFXCCALFTTDG-KBPBESRZSA-N 305.378 -0.839 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)[C@H](C)C(F)(F)F)[C@@H]2C1 1114689791 QNJFBBVTIFPXGM-IVZWLZJFSA-N 317.311 -0.019 30 20 DBED C=CCN1C[C@@H]2C(NC(=O)CN(C)S(=O)(=O)CC)[C@H]2C1 1115051109 ZILCTRIUTHENSV-QWRGUYRKSA-N 301.412 -0.500 30 20 DBED C#Cc1ccc(C(=O)NC2[C@H]3CN(C[C@@H](O)COC)C[C@H]23)nc1 1115139922 NLLUTZUDGMNPST-RDBSUJKOSA-N 315.373 -0.270 30 20 DBED C=CCN1C[C@H]2C(NC(=O)CCC(=O)N3CCOCC3)[C@@H]2C1 1115209024 OTCFEBAYLMBZCS-CHWSQXEVSA-N 307.394 -0.142 30 20 DBED N#CCNC1(CNC(=O)CCCS(N)(=O)=O)CCCCC1 1115701212 CPPSGUIMXDGUCS-UHFFFAOYSA-N 316.427 -0.013 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)C(=O)NCCOCC2CCC2)C1 1118243609 ZHJATKDSWURZLF-OAHLLOKOSA-N 309.366 -0.204 30 20 DBED CC1CCN(C[C@H](C)NC(=O)C(=O)N2CCO[C@H](C#N)C2)CC1 1118731483 DIZOWKDVTMWJTC-UONOGXRCSA-N 322.409 -0.026 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CC[C@@H](C(=O)OCC)C1)[C@H]1CCCO1 1119781465 UYVJKCZSRHQISY-FRRDWIJNSA-N 322.361 -0.305 30 20 DBED Cc1cc(C#N)nc(N[C@H](C)CN(C)C(=O)[C@H]2CNC(=O)N2)n1 1120634634 NPBQBGGWVQSCLH-MWLCHTKSSA-N 317.353 -0.403 30 20 DBED CC(=O)N[C@H](C)C(=O)NC[C@@H](CO)Nc1ccc(C#N)c(C)n1 1121178282 RRFXDOAHGCVWKK-MFKMUULPSA-N 319.365 -0.325 30 20 DBED COc1ccnc(N[C@@H](CO)CNC(=O)c2ccc(C#N)[nH]2)n1 1121317499 MVQPBAKHWMOZNI-SNVBAGLBSA-N 316.321 -0.112 30 20 DBED N#Cc1nccnc1N[C@@H](CO)CNC(=O)c1ncccc1O 1121339940 PIFWAWQVFAYLJO-SECBINFHSA-N 314.305 -0.348 30 20 DBED Cc1ncoc1C(=O)NC[C@@H](CO)Nc1cnc(C#N)cn1 1121432306 KOGHSCXCUBWLHG-JTQLQIEISA-N 302.294 -0.153 30 20 DBED CN1CCCC[C@H]1C(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1 1122340662 BBFISXSAAFZTGB-NEPJUHHUSA-N 318.381 -0.857 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)Cc2cnc[nH]2)cn1 1122620198 CMYZPGBBRXIDHA-ZDUSSCGKSA-N 300.322 -0.192 30 20 DBED CCC(=O)N[C@H](C)C(=O)NC[C@H](CO)Nc1ccc(C#N)nn1 1122751973 CUVQHMOXPCVGGH-MWLCHTKSSA-N 320.353 -0.848 30 20 DBED COCCN(CCNC(=O)CCN(C)C)c1ccc(C#N)nn1 1126498425 GLZOPRVBCKGAPF-UHFFFAOYSA-N 320.397 -0.131 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1cncc2nc[nH]c12 1127796715 AIJPHFJERFGRPL-SNVBAGLBSA-N 314.349 -0.585 30 20 DBED COCC(=O)N[C@@H](C)C(=O)NCCNCc1ccccc1C#N 1127972710 CAIFIKMCQCVXDZ-LBPRGKRZSA-N 318.377 -0.085 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1ccc2c(c1)NC(=O)C2 1128065061 DARZRRUPTDVKJM-UHFFFAOYSA-N 314.345 -0.750 30 20 DBED C#CCN1CCn2ncc(CNC(=O)C[C@H]3COC(=O)C3)c2C1 1128295781 WFUKAINACGJULM-GFCCVEGCSA-N 316.361 -0.099 30 20 DBED C[C@H](O)CN1C[C@H](n2ccnn2)[C@H](NC(=O)CSCC#N)C1 1128723780 DSKXNGKBXSSCEV-TUAOUCFPSA-N 324.410 -0.743 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](NCC(N)=O)[C@H](c2cncn2C)C1 1130991545 QLCWLBPPKJTJAL-CHWSQXEVSA-N 317.393 -0.551 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1cc(Cl)n(C)n1 1131103969 JOSABXPJDRTDIG-SECBINFHSA-N 311.773 -0.469 30 20 DBED Cn1cncc1[C@@H]1CN(C(=O)CCCC(N)=O)C[C@H]1NCC#N 1131138601 KRWQWNOKAIAUKW-VXGBXAGGSA-N 318.381 -0.517 30 20 DBED C#CCCN[C@@H]1CCO[C@H]1C1CCN(C(=O)CNC(N)=O)CC1 1131417168 YJFQNMYPZUDZTJ-HIFRSBDPSA-N 322.409 -0.336 30 20 DBED C=CCOCC(=O)N1C[C@H](C)O[C@@]2(CCN(CC(N)=O)C2)C1 1131645589 HOTJNLJEXOQLIR-SWLSCSKDSA-N 311.382 -0.634 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CC[C@@H](C)N(CC(=O)N(C)C)C1 1131979851 CHQDWRSJFAEKHU-OLZOCXBDSA-N 322.409 -0.817 30 20 DBED C[C@@H]1CC[C@H](NC(=O)c2ccnnc2)CN1CC(=O)NCC#N 1132323012 WUXZMVJPHFCNHN-YPMHNXCESA-N 316.365 -0.301 30 20 DBED C=CCOCCNC[C@H]1CN(C(=O)CNC(N)=O)CC[C@@H]1C 1132634521 ZMZWOXYKUSSWCD-STQMWFEESA-N 312.414 -0.069 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)c1cc(C)co1 1132640790 HBUVCDLCTLTTNJ-UHFFFAOYSA-N 308.338 -0.081 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)CC(=O)NCC 1134143866 TVJSIHXVYAROLK-NEPJUHHUSA-N 310.398 -0.865 30 20 DBED C[C@@H](C[C@H](C)NC(=O)CCc1nnc(O)nc1O)NCC#N 1134863255 GVXSJTOFNFIALL-IUCAKERBSA-N 308.342 -0.388 30 20 DBED Cc1nonc1C(=O)N[C@@H](C)C[C@H](C)NCC(=O)NCC#N 1146743306 BEFBOQOKBHDWQG-IUCAKERBSA-N 308.342 -0.496 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cnn2c1CCCC2 1146783600 MSORRYGLGUIBFE-UHFFFAOYSA-N 303.366 -0.712 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1ccc(C(=O)NC)nc1 1148165509 JYCXHFAGEJRWEM-UHFFFAOYSA-N 319.365 -0.937 30 20 DBED C=C(C)CN1CCCO[C@@H](CNC(=O)Cn2cnnc2O)C1 1149566269 MCGZSRVLSNFZIO-LBPRGKRZSA-N 309.370 -0.233 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)CNC(=O)c1ccco1 1149892724 ZCIJOEXBGSJSNQ-NSHDSACASA-N 322.365 -0.594 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@@H](c1ccccc1)N(C)C 1152530179 USUNHASSFAWQBI-MRXNPFEDSA-N 316.405 -0.256 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)c1cccc(C(N)=O)n1 1152857025 QSNRXYACPFIFOM-SNVBAGLBSA-N 319.365 -0.809 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)CN1CC[C@@H](C)C1 1155254805 FMAUVLSFBRISPB-HUUCEWRRSA-N 322.453 -0.096 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)C[C@@H]1CCN(C)C1 1156374375 PNWSDSGXFAXRJM-KGLIPLIRSA-N 323.441 -0.205 30 20 DBED C#CCNC(=O)CC(=O)NCCCNCc1cnn(CC)n1 1156857605 XGSNPOGBLMPMSQ-UHFFFAOYSA-N 306.370 -0.967 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)c1cncc(C#C)c1 1166305376 VGTQPYILASVULK-ZDUSSCGKSA-N 312.373 -0.090 30 20 DBED C#CCNC(=O)CNCCCCCCNC(=O)Cc1ncc[nH]1 1179903016 XJKGBHKBSRAINL-UHFFFAOYSA-N 319.409 -0.032 30 20 DBED C=CCOCCNC[C@]1(C)CN(C(=O)CNC(N)=O)C[C@H]1C 1180505724 BQDDIDNPJGQJOQ-IUODEOHRSA-N 312.414 -0.069 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2nonc2C)C1 1188405121 FOJNPDMEKHTEFM-GHMZBOCLSA-N 305.338 -0.680 30 20 DBED CN(CC(=O)NCC#N)[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 1189389918 MERAOLSZEHROBD-STQMWFEESA-N 307.398 -0.747 30 20 DBED CCN(C(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)C#N)C1)C1CC1 1191881052 GKDSUHDCGLIPEV-CYZMBNFOSA-N 308.382 -0.682 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)C2CC=CC2)C1 1191952393 RUZJFVSPLRQXIF-IACUBPJLSA-N 305.378 -0.748 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(CC(=O)NCC(C)C)C[C@H]1O 1192762344 WOCFUUQMXTVUFY-ZIAGYGMSSA-N 309.410 -0.421 30 20 DBED CN(CC(=O)NCC#N)[C@H]1CCN(C(=O)[C@]2(C)CCCOC2)C1 1193065176 AWDQWCNORGUXNH-XJKSGUPXSA-N 322.409 -0.024 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)[C@@]2(F)CCOC2)CC1 1196910626 RHTDYZCFQUZLDI-OAHLLOKOSA-N 313.373 -0.049 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)c2ccncn2)CC1 1197500575 NZVHBRCTEUTPNI-UHFFFAOYSA-N 303.366 -0.073 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)CNS(=O)(=O)CCCC)C1 1198179162 GRMOOFYNCKRTED-VXGBXAGGSA-N 319.427 -0.947 30 20 DBED C#CCNC[C@H]1CN(C(=O)[C@H]2CCNC(=O)CC2)CCCO1 1201081314 UZXLIRKDXXZSDR-KGLIPLIRSA-N 307.394 -0.257 30 20 DBED COCC#CCN[C@@H]1C[C@H](NC(=O)CCNC(N)=O)C12CCC2 1203711333 JGJGUJZBVPKVCZ-OLZOCXBDSA-N 322.409 -0.288 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)c2ncc[nH]2)CC1 1205183498 RZXFJNHYGZXHTN-UHFFFAOYSA-N 303.366 -0.399 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@H](C)C1 1206776380 OKHSQWMYKLSXMP-BXUZGUMPSA-N 313.361 -0.314 30 20 DBED N#CCNC(=O)CN[C@H]1CCCN(C(=O)COCC2CC2)C1 1207498599 LXPZAHNQKZZNMR-ZDUSSCGKSA-N 308.382 -0.367 30 20 DBED N#CCNC(=O)CN[C@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1 1207755003 VXYFSLBRESATEH-LBPRGKRZSA-N 314.349 -0.280 30 20 DBED C=CCN[C@H]1CCCN(C(=O)CN(C)S(=O)(=O)N(C)C)C1 1208037802 AOZCHSQXKDMDSO-LBPRGKRZSA-N 318.443 -0.509 30 20 DBED CC#CCN[C@H]1CCCN(C(=O)CN(C)S(C)(=O)=O)C1 1208272151 XURRVWRRANLNDM-LBPRGKRZSA-N 301.412 -0.518 30 20 DBED C#CCN[C@H]1CCCN(C(=O)CS(=O)(=O)N(CC)CC)C1 1209907728 IRIUIZCDOYPBKQ-ZDUSSCGKSA-N 315.439 -0.128 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)c2ccn(C)n2)C1 1211070859 FMASXGSTHSPKDR-LBPRGKRZSA-N 305.382 -0.084 30 20 DBED COCC#CCN1C[C@@H](NC(=O)c2nn(C)cc2C)[C@H](OC)C1 1212239693 KZTKPFQDUBLIIN-ZIAGYGMSSA-N 320.393 -0.193 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)Cc2cnn(C)c2)C[C@H]1C 1214288258 SOUGGBFWRXEWRE-TZMCWYRMSA-N 317.393 -0.852 30 20 DBED C#CCCN[C@@H]1CN(C(=O)[C@@H](C)N2C(=O)CCC2=O)C[C@H]1C 1214775569 MPHCLFAHKGOBFV-JHJVBQTASA-N 305.378 -0.016 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(Cc2noc(CCC)n2)C[C@@H]1O 1219362170 SORLPHVYXUUSHR-NEPJUHHUSA-N 324.381 -0.114 30 20 DBED CCc1nnc(CN2C[C@H](O)[C@H](NC(=O)C#CC(C)C)C2)o1 1219580872 DJFUHALXEXEDTO-NEPJUHHUSA-N 306.366 -0.047 30 20 DBED C#CCC1(C(=O)N[C@@H]2CN(Cc3nnn(C)n3)C[C@@H]2O)CCC1 1219783662 CHZWLXHOGGBFDN-NEPJUHHUSA-N 318.381 -0.935 30 20 DBED C=CCCCN1C[C@H](O)[C@H](NC(=O)[C@H](C)S(C)(=O)=O)C1 1219889434 QZAFVIOYMOTJRF-TUAOUCFPSA-N 304.412 -0.453 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)[C@H](C)CN2CCOCC2)C1 1220986259 YTONGANSSIVSBQ-KFWWJZLASA-N 311.426 -0.308 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3c[nH]nc3C)[C@@H]2C1 1221724326 GHXLETNIGRXNGT-TZMCWYRMSA-N 315.377 -0.386 30 20 DBED CC(=O)N(C)CC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCC#N 1224923784 UHINOVFQVUQSSO-CHWSQXEVSA-N 323.397 -0.879 30 20 DBED C#CCCN[C@@H]1CCCC[C@H]1NC(=O)Cn1cnc(C(N)=O)n1 1226334798 ZYBGFDJULWHQFP-VXGBXAGGSA-N 318.381 -0.583 30 20 DBED CN(C[C@@H]1CCN1CC(=O)NCC#N)C(=O)c1cnns1 1230855884 SBDDJFZGKWSNLA-VIFPVBQESA-N 308.367 -0.676 30 20 DBED C=C(C)COCCNC(=O)C(=O)NCCN1CCSCC1 1261164173 IPEZXSGRAIKPGL-UHFFFAOYSA-N 315.439 -0.140 30 20 DBED O=C1C=CC=N/C1=C(\O)NCCN1C(=O)[C@H]2CSCN2C1=O 1262199623 USJDBROVNNJDER-OZEWEUHLSA-N 322.346 -0.150 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)CCc2cnc[nH]2)C1 1266323213 XAJSVSOFVMWKMY-ZDUSSCGKSA-N 305.382 -0.165 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC(NC(=O)[C@@H]2CCCCN2C)C1 1268438294 QVDAEMYJUDOQNF-OCCSQVGLSA-N 308.426 -0.038 30 20 DBED CCN1C[C@@H](C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1=O 1318695186 UYXYBXSBARRCLT-FIKMJJSBSA-N 320.349 -0.503 30 20 DBED C[C@@H](C#N)CN(C)C(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1 1320728869 FPKZRYWZELFFBK-VIFPVBQESA-N 324.362 -0.109 30 20 DBED C#CCC[C@H](O)CNC(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1 1321649334 YZNACNICLAHHBD-GWCFXTLKSA-N 323.374 -0.393 30 20 DBED CCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N1CC[C@](F)(C#N)C1 1323723620 JSJCKAVRKHBTOB-WDMOLILDSA-N 313.329 -0.239 30 20 DBED C#CCn1ccc(CN(CC)C(=O)NCC(=O)NCC#N)n1 1325034895 WXRWSPRZPBYNME-UHFFFAOYSA-N 302.338 -0.312 30 20 DBED CCN(CC)[C@H]1CCN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)C1 1326513846 XITDGFIJDZTZAG-XJKSGUPXSA-N 322.409 -0.194 30 20 DBED N#Cc1ccc(NC(=O)C(=O)N2CCN3C(=O)NC[C@H]3C2)nc1 1327825828 GUDCEKPSRAHTBE-JTQLQIEISA-N 314.305 -0.872 30 20 DBED Cc1nn(C)cc1[C@H](C)NC(=O)C(=O)N1CC[C@](O)(CC#N)C1 1328258750 WJIWTCMDGQWALO-ZUZCIYMTSA-N 319.365 -0.217 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)N2CCC[C@@H]3COC[C@@H]32)C1 1328438149 RQYDZSSZMLGJNB-XUJVJEKNSA-N 307.350 -0.499 30 20 DBED C=CCC1(O)CCN(C(=O)C(=O)NCCNCCOC)CC1 1331164650 IALJBNZPCZGSQV-UHFFFAOYSA-N 313.398 -0.732 30 20 DBED C=CCNC(=O)[C@H](C)N1CCC(n2cc(C(N)=O)nn2)CC1 1335103870 XHCTVZYDLDYVIN-JTQLQIEISA-N 306.370 -0.295 30 20 DBED N#CC[C@H]1CCCN(C(=O)C(=O)N2CCOC[C@@H]2CCO)C1 1335185615 CHGLFHVZWCEYTK-OLZOCXBDSA-N 309.366 -0.252 30 20 DBED C=CCn1cc(CNC(=O)N[C@H]2CCCS(=O)(=O)C2)nn1 1349015616 GTPBLNHBZJYNEQ-JTQLQIEISA-N 313.383 -0.160 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N[C@H](CC)CN1CCOCC1 1351435773 GGLYOGXUKYMDPT-CHWSQXEVSA-N 313.398 -0.469 30 20 DBED C=CC1CCN(c2nnnn2CC(=O)N2CCOCC2)CC1 1352296314 HPPYBWRXOFLWCD-UHFFFAOYSA-N 306.370 -0.066 30 20 DBED CN(CCCO)C1CCN(c2[nH]c(=O)n(C)c(=O)c2C#N)CC1 1363150280 PBUDRIMWAHSHQI-UHFFFAOYSA-N 321.381 -0.772 30 20 DBED N#Cc1cn(CCC(=O)N2CCn3nccc32)c(=O)nc1O 1363179735 YQDXAGWPFHZSDE-UHFFFAOYSA-N 300.278 -0.546 30 20 DBED N#Cc1cn(CCNC(=O)CCn2cccc2)c(=O)nc1O 1364108158 NKAMDRDNRIZGLA-UHFFFAOYSA-N 301.306 -0.171 30 20 DBED N#Cc1ncn(CCNC(=O)N2CC[C@H](n3cncn3)C2)n1 1365157333 XFHBLNYVMMAHIG-JTQLQIEISA-N 301.314 -0.602 30 20 DBED N#Cc1cccc(CNC[C@@H](O)CNC(=O)c2cnn[nH]2)c1 1374621933 COXNGSQBMHWERI-GFCCVEGCSA-N 300.322 -0.443 30 20 DBED C=C(Cl)CN(C)C[C@@H](C)NC(=O)c1cn(CC(N)=O)nn1 1392728930 OIQBVBGWOKGQGO-SECBINFHSA-N 314.777 -0.434 30 20 DBED CNC(=O)NCC(=O)NC[C@H]1CCCN(C(=O)[C@@H](C)C#N)C1 1407936267 DVEAVADJOQCGER-WDEREUQCSA-N 309.370 -0.570 30 20 DBED C[C@H](C#N)C(=O)NC1CC(N(C)C(=O)c2cc(=O)n(C)cn2)C1 1413573217 TXTBNBDCLJRNMT-KPPDAEKUSA-N 317.349 -0.341 30 20 DBED N#CCCN1CCN(C(=O)NCc2nc(C(N)=O)cs2)CC1 1414704242 YAZRSCARKBNOQB-UHFFFAOYSA-N 322.394 -0.017 30 20 DBED Cc1cn(C)nc1C(=O)N(C)C[C@H](O)CNC(=O)[C@@H](C)C#N 1428195812 WROQLYRTVIDWTC-GXSJLCMTSA-N 307.354 -0.563 30 20 DBED Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H]1CN(C)NC1=O 1446835912 MMWMLQXTERKYBV-CYBMUJFWSA-N 318.381 -0.192 30 20 DBED N#Cc1cc(CNC(=O)Cn2[nH]cc3c(=O)ncnc2-3)ccn1 1448868027 SXNLMQLLFOLVJS-UHFFFAOYSA-N 309.289 -0.346 30 20 DBED Cc1ncsc1CCNC(=O)Cn1cc(C#N)c(O)nc1=O 1449853897 ZOPRHDIWHCUZBP-UHFFFAOYSA-N 319.346 -0.056 30 20 DBED COCCN(CCNC(=O)[C@H](C)C#N)C(=O)c1ccnn1C 1452151269 NQQAFDDFYAIGCI-LLVKDONJSA-N 307.354 -0.215 30 20 DBED CCCC(=O)NC1CCN(c2[nH]c(=O)n(C)c(=O)c2C#N)CC1 1458105680 QJGIVYRSYWGJBH-UHFFFAOYSA-N 319.365 -0.170 30 20 DBED CON=CC(=O)N[C@@H]1CCCC[C@H]1Cc1nn(C)c(=O)n1C 1550475687 MUBBIMBIQYGZKE-WDEREUQCSA-N 309.370 -0.032 30 20 DBED C[C@H]1CC(=NC(=O)c2nn(C)cc2CN2CC[C@H](O)C2)NO1 1552720782 HIENOUGKYCKONY-ONGXEEELSA-N 307.354 -0.161 30 20 DBED C=C(CCC(=O)O)C(=O)NCCCCn1cc(C(N)=O)nn1 1573332966 SAQXVVWUOJIMKO-UHFFFAOYSA-N 309.326 -0.306 30 20 DBED COCC#CCNC[C@H](O)CN(C)C(=O)CCCc1cnn[nH]1 1576952982 KKHOYNKFRULFEQ-AWEZNQCLSA-N 323.397 -0.814 30 20 DBED N#Cc1cn(CCC(=O)N(C2CCC2)C2CNC2)c(=O)nc1O 1580080682 BKXORNMWKBWTOU-UHFFFAOYSA-N 317.349 -0.436 30 20 DBED C#CCO[C@H](C)C(=O)NCCNc1nccnc1-c1nn[nH]n1 1588357922 QJZUQAJZGAKXDW-SECBINFHSA-N 316.325 -0.777 30 20 DBED Cc1cc(-c2nn[nH]n2)c(O)nc1C(=O)N1CCOC[C@@H]1C#N 1591834595 GKJXUJDOHKCRRN-QMMMGPOBSA-N 315.293 -0.360 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N1CCC([C@H](O)C(=O)O)CC1 1592221730 MNZSOLZITPYSEX-KOLCDFICSA-N 319.383 -0.377 30 20 DBED C[C@]1(CCC(=O)O)NC(=O)N(CN2CCO[C@H](C#N)C2)C1=O 1594001659 ONRGWLCDNRVLOM-NOZJJQNGSA-N 310.310 -0.656 30 20 DBED N#C[C@H]1CN(S(=O)(=O)NC[C@@H](CC2CC2)C(=O)O)CCO1 1601063752 YNVIQVHAUNSXEM-MNOVXSKESA-N 317.367 -0.454 30 20 DBED N#Cc1cc(F)c(S(=O)(=O)NC[C@@H](O)CC(=O)O)c(F)c1 1601089029 DWNKVIWTZMNSDG-ZETCQYMHSA-N 320.273 -0.050 30 20 DBED N#Cc1ccc(C[C@@H](C#N)C(=O)NCC(=O)NCC(=O)O)cc1 1601099113 GAUVASRSUNTCIS-LBPRGKRZSA-N 314.301 -0.442 30 20 DBED C#CCCCC(=O)N(C)CCN=c1cc[nH]c(-c2nn[nH]n2)n1 1602702268 DUAVCZVGALXGPG-UHFFFAOYSA-N 314.353 -0.248 30 20 DBED C=CCN1CC[C@@H](N(C)S(=O)(=O)[C@H]2C[C@@H](C(=O)O)C2)C1=O 1602898785 ZAGCYLRYTIIKEV-OUAUKWLOSA-N 316.379 -0.102 30 20 DBED CC#CC[C@@H](NS(=O)(=O)c1cnn(CC(=O)O)c1)C(=O)O 1609489037 SCCBRMHXEFXBHS-SECBINFHSA-N 315.307 -0.887 30 20 DBED N#Cc1ncn(CC(=O)N2CCC([C@H]3OCCC[C@H]3N)CC2)n1 1645909337 LTNBPYLQCAMHAI-IUODEOHRSA-N 318.381 -0.105 30 20 DBED C[C@H]1COCC[C@H]1C(=O)NCCCN(C)CC(=O)NCC#N 1752058932 TUEDJYCZLLOZTM-QWHCGFSZSA-N 310.398 -0.263 30 20 DBED C#CCNC(=O)CN1CCC(N(C)C(=O)c2cnco2)CC1 1752303499 DDYQDSWELJRHFT-UHFFFAOYSA-N 304.350 -0.040 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1C[C@@H](NC(=O)Cc2ccon2)C1 1752719870 KJWLANHGNZZRLF-RTXFEEFZSA-N 304.350 -0.408 30 20 DBED C#CCNC(=O)CNC[C@@H]1CCCN(C(=O)c2cnco2)C1 1752804761 KEJPJLLETQNIAS-LBPRGKRZSA-N 304.350 -0.134 30 20 DBED COCC#CCN(C)CCNC(=O)c1ccc2nnnn2c1 1753057360 ZGASTDNLSYDSPN-UHFFFAOYSA-N 302.338 -0.564 30 20 DBED CCCN(CC#CCOC)CCNC(=O)[C@H]1CC[C@@H]1C(N)=O 1753146478 XDIMSKXPLWKSRI-KBPBESRZSA-N 309.410 -0.024 30 20 DBED C#CCNC(=O)CN(CCNC(=O)Cc1cc[nH]n1)C1CC1 1753152401 HXSGURUIAIUJDI-UHFFFAOYSA-N 303.366 -0.718 30 20 DBED C#CCNC(=O)CN(C)C[C@H]1CCN(C(=O)[C@@H](C)OCC#C)C1 1753349939 YXGZPWOMBBEUAH-HUUCEWRRSA-N 319.405 -0.446 30 20 DBED C=CCOCC(=O)NC1CN([C@H](C)C(=O)NC(=O)NC2CC2)C1 1753372815 BPAXISVBKGZWCO-SNVBAGLBSA-N 324.381 -0.634 30 20 DBED N#CCNCC1(NC(=O)CC[C@H]2NC(=O)NC2=O)CCCC1 1753510599 WQNFNJKZBWWZNF-SNVBAGLBSA-N 307.354 -0.483 30 20 DBED COc1cccc(OC)c1CC(=O)NC[C@H](O)CNCC#N 1753918303 LWEOJHUDKLFSGE-LLVKDONJSA-N 307.350 -0.163 30 20 DBED C=CCCCNC[C@@H](O)CNC(=O)[C@H]1CCCN(C(N)=O)C1 1753918509 NZDGRVCRUHXGFF-QWHCGFSZSA-N 312.414 -0.190 30 20 DBED C=CCCNC[C@@H](O)CNC(=O)C1(n2cnnn2)CCCCC1 1753924287 YOSULIDJARMQBS-CYBMUJFWSA-N 322.413 -0.025 30 20 DBED C=CCN1CC[C@@H](NC[C@H](C)NC(=O)c2nccnc2N)C1=O 1754261535 PUUHNAAHNCPMEX-WDEREUQCSA-N 318.381 -0.446 30 20 DBED C#CCN1CC(O)(CNC(=O)c2ccnc(NC(C)=O)c2)C1 1754776926 FXYSNVANAGTGSZ-UHFFFAOYSA-N 302.334 -0.550 30 20 DBED C#CCCN[C@@H](C)[C@H]1CCN(C(=O)CN2C(=O)CCC2=O)C1 1754808253 ZOXWUPSUNMHKCV-STQMWFEESA-N 305.378 -0.015 30 20 DBED C=CCNC1CCN(CCNC(=O)c2ccc(=O)n(C)n2)CC1 1754849842 JATPBQFUDSNZIL-UHFFFAOYSA-N 319.409 -0.250 30 20 DBED C#CCN1CCC[C@@](CO)(NC(=O)Cn2nnnc2C(C)C)C1 1754859547 ZJOJSFAOXXYRHY-OAHLLOKOSA-N 320.397 -0.627 30 20 DBED C[C@@H]1CN(C(=O)CCCCC(N)=O)C[C@@H]1NCC(=O)NCC#N 1755119647 SBGISNYHMMKFBG-NEPJUHHUSA-N 323.397 -0.892 30 20 DBED Cc1nc(C)c(C(=O)N[C@H]2C[C@H](CNCC(=O)NCC#N)C2)[nH]1 1755478604 JJGQOKLIPIGMIU-HAQNSBGRSA-N 318.381 -0.236 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@H](CO)CNC(=O)c1cc(C)[nH]n1 1755624202 OBDIUYXIQVBEBO-MNOVXSKESA-N 309.370 -0.911 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)CNC(C)=O)CC1(C)C 1755751753 WBYJGOJWNGEJPB-WCQYABFASA-N 324.425 -0.360 30 20 DBED CC(=O)N1C[C@@H](C(F)(F)F)[C@H](CNCC(=O)NCC#N)C1 1755767299 CWBMHBLMGQJJNG-NXEZZACHSA-N 306.288 -0.127 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@H](CO)CNC(=O)c1ccccc1O 1756503545 JWQBTDDGRSDALG-ZBEGNZNMSA-N 322.361 -0.074 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@H](CO)NC(=O)c1ccc(O)nc1 1756515876 QTVZXIHUMVHGMV-ABAIWWIYSA-N 323.349 -0.679 30 20 DBED C=CCCC(=O)NC[C@H](O)CN(C)C(=O)[C@H]1CC(=O)N(C)C1 1756666590 BZHQTDLRCJDLQP-RYUDHWBXSA-N 311.382 -0.634 30 20 DBED CC(=O)NCC(=O)N1CC[C@H]2CN(C(=O)CSCC#N)C[C@H]21 1756943888 SZZYARZZAXOOJA-NWDGAFQWSA-N 324.406 -0.561 30 20 DBED C=CCOCC(=O)NC[C@H]1C[C@@H](NC(=O)c2c[nH]c(=O)cn2)C1 1757312957 VIALCXBFORUDKJ-PHIMTYICSA-N 320.349 -0.403 30 20 DBED C=CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)NC=O)CCO2 1783917227 JNERKOAQKDWBRO-DOMZBBRYSA-N 309.366 -0.473 30 20 DBED C#CC(=O)N1CCCC12CN(C(=O)CNC(=O)C(F)(F)F)C2 1845960672 ASMJVNSMLQEQJH-UHFFFAOYSA-N 317.267 -0.499 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)COCCO 1847806053 BQTIVWJWZWAVEV-IHRRRGAJSA-N 324.377 -0.765 30 20 DBED C#CCN1CCN(S(=O)(=O)CCCC(=O)OCC)CC1 161545874 IPBNMCCSQBXREQ-UHFFFAOYSA-N 302.396 -0.090 30 20 DBED N#Cc1ccc(CN2CCN3C(=O)C(=O)NC[C@H]3C2)cc1F 192075048 OATUUUGAVYNBLV-LBPRGKRZSA-N 302.309 -0.160 30 20 DBED CN1C[C@H](NC(=O)C(=O)Nc2cccc(OCC#N)c2)CC1=O 267341463 IOGYBDQALIXHIH-LLVKDONJSA-N 316.317 -0.126 30 20 DBED N#Cc1ccc(OCC(=O)NC[C@H]2CC(C(N)=O)=NO2)cc1 276318182 WBLXJRQORZCOER-LLVKDONJSA-N 302.290 -0.317 30 20 DBED CCOC(=O)CO/N=C(/C(=O)NCc1nnc[nH]1)c1cc[nH]n1 277978448 IYNRDMBVWKOLGT-YBFXNURJSA-N 321.297 -0.872 30 20 DBED C=C[C@@H](CO)NC(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O 290900703 CJNANEXQFQYTPJ-QWRGUYRKSA-N 307.354 -0.238 30 20 DBED C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)NCC#CCO)C2=O 294377524 UQKMOPRMNDQTIG-XHDPSFHLSA-N 307.350 -0.401 30 20 DBED CN1CN(/C(O)=N/[C@@H]2CCCN(c3ccn(C)n3)C2=O)CC1=O 329606784 ICNXMVWQLJPARB-SNVBAGLBSA-N 320.353 -0.439 30 20 DBED CN1CCN(C(=O)CCN/C(O)=N/CCC(=O)N(C)C)CC1 330391961 AMTIBRITENETCD-UHFFFAOYSA-N 313.402 -0.868 30 20 DBED CCC(=O)N1CC[C@@H](N/C(O)=N/CCS(=O)(=O)NC)C1 331262361 MNUZTYDYMSMENW-SECBINFHSA-N 306.388 -0.950 30 20 DBED CC(C)[C@H](C#N)NC(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1 343650552 GBKROWRKRQSAOS-KOLCDFICSA-N 313.383 -0.249 30 20 DBED CCc1nnc(CNS(=O)(=O)N2CCO[C@@H](C#N)C2)s1 352564420 FIBBXYBVSZATOZ-QMMMGPOBSA-N 317.396 -0.341 30 20 DBED CN(C)CCCN(CCC#N)C(=O)c1cn(C)c(=O)nc1O 354881318 GBRADICSZKZNJO-UHFFFAOYSA-N 307.354 -0.207 30 20 DBED C=CCSCCNC(=O)C(=O)NCc1ccc(C(N)=O)nc1 355304133 XMJPAIQHRUEBSH-UHFFFAOYSA-N 322.390 -0.168 30 20 DBED C[C@H]1C[C@@H](O)CN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 355942112 CAYNKDZCZCPJEV-CMPLNLGQSA-N 323.374 -0.182 30 20 DBED COC(=O)[C@H]1CCN(C(=O)NCCn2cnc(C#N)n2)C[C@@H]1C 357873607 DFIOQIHROPNHPJ-QWRGUYRKSA-N 320.353 -0.010 30 20 DBED N#CCC1(O)CN(C(=O)[C@H]2CC[C@H](C(F)(F)F)NC2=O)C1 372710540 DDNBTYHEAWTFOZ-JGVFFNPUSA-N 305.256 -0.070 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC[C@H](CC(N)=O)C1 407959691 XAUPUQOPNITAHF-WDEREUQCSA-N 302.400 -0.090 30 20 DBED CC[C@](COC)(NS(=O)(=O)N(C)C[C@@H](C)C#N)C(=O)OC 416515136 KVHPTAGVVWLMAK-CMPLNLGQSA-N 321.399 -0.120 30 20 DBED C=CCCCS(=O)(=O)N1Cc2nnc(O)n2C[C@H]1C(=O)O 424392991 QOEBRSHRMHQHCE-QMMMGPOBSA-N 316.339 -0.452 30 20 DBED C=CCCn1cc(C(=O)N2CCC[C@@H](S(N)(=O)=O)C2)nn1 424687794 VPJXDSOKEYVAGY-SNVBAGLBSA-N 313.383 -0.253 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)c2cn(C(C)C)nn2)CC1 429915020 WXSUHXGXWHUKJZ-UHFFFAOYSA-N 320.397 -0.081 30 20 DBED COC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1ccc(C#N)c(O)c1 442648375 MTTGIUFMSDHCEH-LLVKDONJSA-N 317.301 -0.232 30 20 DBED CCN(CCC#N)S(=O)(=O)N[C@@H]1CCCN(CCCO)C1 451673372 VISJWQNMUPHUHH-CYBMUJFWSA-N 318.443 -0.097 30 20 DBED COC[C@@H]1CCCCN1S(=O)(=O)N1CCO[C@H](C#N)C1 452089410 DNKWMVHFPYNTII-NWDGAFQWSA-N 303.384 -0.044 30 20 DBED C#CCN1CCN(C(=O)CN2C(=O)N[C@](C)(CCC)C2=O)CC1 490799510 HLGIAPFHTCZHME-MRXNPFEDSA-N 320.393 -0.126 30 20 DBED C#CCNC(=O)CN1CCN([C@H](C)C(=O)N2CCCCC2)CC1 491165383 KRHDXMRYAYOPTM-OAHLLOKOSA-N 320.437 -0.246 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)C2(C(=O)OCC)CC2)CC1 491181464 SXXGFMQOXQKOIX-UHFFFAOYSA-N 321.377 -0.777 30 20 DBED Cc1cc(NC(=O)C(=O)N[C@H]2CCCN(C)C2=O)ncc1C#N 563383508 DCHBSRYAGUBVLW-NSHDSACASA-N 315.333 -0.063 30 20 DBED N#CCN(CC#N)C(=O)CNS(=O)(=O)c1ccccc1N 597031655 RVBTYJAGZXIOEW-UHFFFAOYSA-N 307.335 -0.577 30 20 DBED Cn1c(=O)ccn(CC(=O)NCCc2ccc(C#N)cc2)c1=O 597892835 OHABIWVHOCALEL-UHFFFAOYSA-N 312.329 -0.222 30 20 DBED CCN(CCC#N)S(=O)(=O)N[C@@H](CCSC)C(N)=O 599405416 SQBRKRKBAIMFEC-VIFPVBQESA-N 308.429 -0.337 30 20 DBED C[C@@H]1CN(C(=O)C(=O)N2CCN(CCC#N)CC2)CC[C@@H]1N 601585678 XOPLSKABXFJNOX-OLZOCXBDSA-N 307.398 -0.760 30 20 DBED C=CCN(CC=C)C(=O)CN(C)CC(=O)N1CCN(C)CC1 679377462 GOHAVRFYRUMMIC-UHFFFAOYSA-N 308.426 -0.107 30 20 DBED Cn1ncc(C(=O)NCC#CCO)c1I 717478147 JTVZBYUEMYWGBO-UHFFFAOYSA-N 319.102 -0.250 30 20 DBED C#CCOCCNC(=O)c1ccc(S(=O)(=O)N(C)C)o1 784601718 ZBHFDJQVVNVWCG-UHFFFAOYSA-N 300.336 -0.091 30 20 DBED C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1C[C@H](O)[C@H](O)C1 784909663 AUHKHJGDLKFMEM-JLLWLGSASA-N 319.317 -0.520 30 20 DBED C#CCOCCNC(=O)C(=O)Nc1ccc(OCC(N)=O)cc1 785156170 QAYJSMAALWWQHX-UHFFFAOYSA-N 319.317 -0.745 30 20 DBED C[C@H](C#N)COC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C 789451905 ALHPDBHYCYYJBW-MRVPVSSYSA-N 304.306 -0.108 30 20 DBED N#CCC1(O)CN(C(=O)c2ccc(F)c(S(N)(=O)=O)c2)C1 793871350 YNYRZFUJLLALKV-UHFFFAOYSA-N 313.310 -0.426 30 20 DBED C#CCCCNC(=O)C(=O)N1CCN(C[C@H]2CCOC2)CC1 806908639 MCMSDUILUCAYGK-CQSZACIVSA-N 307.394 -0.303 30 20 DBED C#CCNC(=S)NCCNc1ccc(-c2nn[nH]n2)cn1 823850475 OVSXMMZMXRUPFT-UHFFFAOYSA-N 302.367 -0.229 30 20 DBED C=CCCS(=O)(=O)N(CCN1CCOCC1)CC(=O)O 825675806 HFHRLZQWWXXATH-UHFFFAOYSA-N 306.384 -0.389 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)C2CC(OC)C2)CC1 831584225 IEMJGAPCZSXZFV-UHFFFAOYSA-N 315.395 -0.977 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1cnc(C(=O)O)cn1 833376700 PDNGAUIZEZQYHO-SSDOTTSWSA-N 322.277 -0.268 30 20 DBED N#C[C@@H]1CNC[C@H]1NC(=O)c1ccc(N2CCOCC2)nc1 834515877 CXLVXPLUELTPOE-CHWSQXEVSA-N 301.350 -0.240 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCNC[C@@H]1CCC)[C@H]1CCCO1 842164867 XXSDCACLISJAFI-MELADBBJSA-N 307.394 -0.116 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2nn(C)cc2Cl)CC1 859178581 DNMJIIQKYGFDOB-UHFFFAOYSA-N 323.784 -0.419 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H](C)C(=O)N(C)OC 859413475 JCRQRHDUZZCOPQ-NXEZZACHSA-N 306.388 -0.289 30 20 DBED N#CCCN1CCN(C(=O)C(=O)NC[C@H]2CCCCN2)CC1 884681638 BCFVFDJGJNAXJJ-CYBMUJFWSA-N 307.398 -0.697 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)NCCO[C@@H]1CCOC1 931094009 NAXYDDSFEJPYHQ-QWHCGFSZSA-N 312.366 -0.547 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](NC(=O)c2ccc(C(N)=O)[nH]2)C1 942436003 IJYHIALYRXPDIU-DTWKUNHWSA-N 303.322 -0.396 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1nc[nH]n1 950755665 QZOYFFRWBRJYPA-NEPJUHHUSA-N 316.365 -0.767 30 20 DBED O=C1NCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)C#CC2CC2)C1 950761795 NSOFJUCCQNOTDO-QWHCGFSZSA-N 303.362 -0.357 30 20 DBED C=CCCN1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)CC1 951166234 MSJJSEMYDDGPIS-UHFFFAOYSA-N 306.366 -0.582 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cc(O)nc(C3CC3)n2)C1 958155277 BYIALRXKZVQNJV-WCQYABFASA-N 316.361 -0.285 30 20 DBED C#CCOc1ncccc1C(=O)NC[C@H]1CN(CC#N)C[C@@H]1O 958595453 ROXHWJCRLBJQME-JSGCOSHPSA-N 314.345 -0.360 30 20 DBED C#CCCN1C[C@@H](O)[C@H](CNC(=O)c2cnn3cc[nH]c23)C1 958618127 IREXMSRALVRBGZ-DGCLKSJQSA-N 301.350 -0.292 30 20 DBED COC1CC(C(=O)N(C)[C@H]2CN(C(=O)C#CC3CC3)C[C@@H]2O)C1 958871633 FNKXNUFGTBRPNE-WUCCLRPBSA-N 320.389 -0.145 30 20 DBED C[C@H](NC(=O)c1cc(C#N)c[nH]1)[C@@H]1CCN(C(=O)CC(N)=O)C1 959097020 SXIWBNBIXQZBOC-GXSJLCMTSA-N 317.349 -0.271 30 20 DBED C#Cc1cncc(C(=O)N[C@H](C)[C@@H]2CCN(C(=O)C(N)=O)C2)c1 959262707 XKHPWJJLMRYPFT-ZYHUDNBSSA-N 314.345 -0.485 30 20 DBED C#CCN1C[C@H]2C(NC(=O)c3c(C)c(C)nn(C)c3=O)[C@@H]2C1 961429388 RZKVZEOITNDEDC-VXGBXAGGSA-N 300.362 -0.310 30 20 DBED Cc1nnc(CC(=O)N2C[C@H]3CN(C(=O)[C@H](C)C#N)C[C@H]3C2)o1 961508912 JMJVMEULQYTJAR-JLLWLGSASA-N 317.349 -0.003 30 20 DBED CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N[C@H]2[C@@H]3CN(CC#N)C[C@@H]32)O1 961744306 MUBGLBXIDLREGN-FHUSYTEZSA-N 306.366 -0.808 30 20 DBED CC#CCN1CC[C@H](C)[C@H](NC(=O)CN2C(=O)CCC2=O)C1 968631981 LHDJPPCCBJTFSE-QWHCGFSZSA-N 305.378 -0.015 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)c3c[nH]c(=O)cn3)C2)C1 972523021 GBXSLCOLMXWIGB-OAHLLOKOSA-N 302.334 -0.680 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)Cc3ccnn3C)[C@H]2C1 976420262 MAKZGEIUPYFJRU-PQFRYHKHSA-N 301.350 -0.305 30 20 DBED C=CCCn1cc(C(=O)N[C@H]2CN(CC(N)=O)CC2(C)C)nn1 977282074 AXOBWBMEJZHDHB-LBPRGKRZSA-N 320.397 -0.220 30 20 DBED N#CCN1C[C@@H]2C(CNC(=O)[C@H]3CN4CC5CC4(CO3)C5)[C@H]2C1 978552889 GGQPWPJYWRLMJK-AAGJERLFSA-N 316.405 -0.333 30 20 DBED C[C@@H](NCc1nnn(C)n1)[C@H]1CN(C(=O)C#CC2CC2)CCO1 979332141 KZAXTEBWBHBSDU-DGCLKSJQSA-N 318.381 -0.671 30 20 DBED C=CCN1C[C@@]2(C)CN(C(=O)CN3CCNC(=O)C3)C[C@@]2(C)C1 982433151 RQIKWETTXJMEFX-CALCHBBNSA-N 320.437 -0.225 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](CNC(=O)c2cc(=O)n(C)cn2)C1 983215327 LAJRGDKVDADOLZ-WDEREUQCSA-N 317.349 -0.482 30 20 DBED CC(=O)N1CCO[C@H](C(=O)N2CCC(N(C)CC#N)CC2)C1 985776488 QKYKFYGXYRRCNB-AWEZNQCLSA-N 308.382 -0.320 30 20 DBED C#CCN[C@H]1C[C@@H](C)N(C(=O)c2ccc(-n3cnnn3)cn2)C1 989219627 CWJYEIIYNZYGHB-NEPJUHHUSA-N 311.349 -0.117 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC(NC(=O)c2ccnn2C)C1 990408559 DLKCMSOJDXHTAV-AWEZNQCLSA-N 315.377 -0.542 30 20 DBED N#CCN1CC[C@@]2(NC(=O)CN3C(=O)CNC3=O)CCC[C@H]12 992473211 KGWVMSFNZBRJCS-HZMBPMFUSA-N 305.338 -0.825 30 20 DBED N#CCN1CC[C@]2(NC(=O)CN3C(=O)CNC3=O)CCC[C@H]12 992473217 KGWVMSFNZBRJCS-IINYFYTJSA-N 305.338 -0.825 30 20 DBED C#CCCN1CCC[C@@H](NC(=O)Cn2ccc(O)nc2=O)[C@H]1C 993568921 NMICVCZWEURPLG-CHWSQXEVSA-N 318.377 -0.059 30 20 DBED COC(=O)[C@@H]1C[C@@H]1C(=O)NCC1CN(C(=O)C#CC2CC2)C1 1001167018 CUKZQHUAKKAMKE-QWHCGFSZSA-N 304.346 -0.217 30 20 DBED C#CCN1CC=C(CNC(=O)[C@H]2CN(C(C)=O)CCO2)CC1 1001419272 QPBDFQWJJIGJFF-OAHLLOKOSA-N 305.378 -0.385 30 20 DBED O=C(NCC1CN(C(=O)C#CC2CC2)C1)c1cc2n(n1)CCO2 1002620310 UZPKFTNHFHKROC-UHFFFAOYSA-N 314.345 -0.123 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CC[C@H]1CN2C(=O)c1c[nH]c(=O)cn1 1007489027 IJTCFNQWPTZLDX-OUAUKWLOSA-N 315.333 -0.255 30 20 DBED CS(=O)(=O)CCN1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 1010644819 QMCVKDSISLFDCS-NSHDSACASA-N 310.379 -0.265 30 20 DBED C#Cc1ccc(C(=O)N2CCN(C(=O)Cc3nc[nH]n3)CC2)cn1 1011805749 PNWMVHBIYDTHIK-UHFFFAOYSA-N 324.344 -0.292 30 20 DBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H]2C(NC(=O)C(N)=O)[C@@H]2C1 1013688764 KMTUHUXWNXVVCO-WGBDABJCSA-N 321.377 -0.584 30 20 DBED C=C(C)CCN1CC[C@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)C1 1015790362 IDGVYKNKEYYVRZ-NSHDSACASA-N 322.365 -0.436 30 20 DBED C=C(C)CN[C@H]1CCN(C(=O)C2CC3(C2)NC(=O)NC3=O)C1 1019503854 YQJKOVAKBMTJJR-VTWZXRTESA-N 306.366 -0.259 30 20 DBED C#CCOc1ncccc1C(=O)N[C@H]1C[C@H](N[C@H](C)C(N)=O)C1 1020945875 YVGROJDGGVKQDQ-IJLUTSLNSA-N 316.361 -0.182 30 20 DBED N#CCN1[C@H]2CC[C@H]1CC(NC(=O)C1CC(=O)NC(=O)C1)C2 1021410212 CCMIZBVEBZFGTL-RYUDHWBXSA-N 304.350 -0.326 30 20 DBED CCc1nnsc1C(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1O 1024486291 QMIQFRRDALHLIR-FXBDTBDDSA-N 323.378 -0.438 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2CCN(CC(=O)NC)C2)nc1 1028936406 WWILJSBNWNPBKO-CYBMUJFWSA-N 300.362 -0.139 30 20 DBED CN(C(=O)[C@H]1CCc2nnc(O)n2C1)[C@H]1CCN(CC#N)C1 1033202514 LSOUTNKLSNNJHJ-QWRGUYRKSA-N 304.354 -0.398 30 20 DBED CC#CCN1CC[C@@H](N(C)C(=O)[C@@H]2CCN(C)S2(=O)=O)C1 1033501722 JXWMZCIUQFWOAA-OLZOCXBDSA-N 313.423 -0.424 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)c2cn(CC(=O)N(C)C)nn2)C1 1033689587 GLLIAWHCGVPNKH-GFCCVEGCSA-N 320.397 -0.301 30 20 DBED C=CCN[C@@H]1CCN(C(=O)CN2CC(=O)N(C)C2=O)C[C@H]1C 1036256770 HTCWVZWOGOGNPC-VXGBXAGGSA-N 308.382 -0.107 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2[C@H]3C[C@H]2N(Cc2nnn(C)n2)C3)nc1 1037689611 KLIOJOURXQJIKA-NJZAAPMLSA-N 323.360 -0.411 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCN1Cc1cnnn1C 1038368767 RPDXDPGDCIHRBX-HIFRSBDPSA-N 316.409 -0.397 30 20 DBED C#CCN1CCC(C(=O)NC[C@@H]2CCN2CC(=O)N(C)C)CC1 1039041488 DTAWXVYVQJAYFT-HNNXBMFYSA-N 320.437 -0.390 30 20 DBED CCn1cc(C(=O)N2CC[C@](O)(CNC(=O)[C@H](C)C#N)C2)cn1 1040763127 NWKOTVKOIZVNFK-ABAIWWIYSA-N 319.365 -0.244 30 20 DBED N#Cc1cnc(N2C[C@@H](O)[C@H](NC(=O)c3cccnc3)C2)cn1 1040910324 JTISVFGLRODWPJ-CHWSQXEVSA-N 310.317 -0.277 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)c3cncnc3)C2)nn1 1040995193 CTNXNTZCQAVQQJ-VXGBXAGGSA-N 311.305 -0.882 30 20 DBED N#Cc1cccnc1N1C[C@@H](O)[C@H](NC(=O)c2ncccn2)C1 1041137283 ZPCCFKYENSTZOZ-VXGBXAGGSA-N 310.317 -0.277 30 20 DBED Cc1cc[nH]c1C(=O)N1CC(O)(CNC(=O)CSCC#N)C1 1041568746 ORASLWMWRFIAKN-UHFFFAOYSA-N 322.390 -0.117 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)c2cnsn2)C1 1041693438 XQCLSNUARJFBQZ-UHFFFAOYSA-N 312.351 -0.956 30 20 DBED N#CCN1CC[C@@]2(CCN(C(=O)CC[C@H]3NC(=O)NC3=O)C2)C1 1041821395 FTDYUDKAEVFDEQ-IAQYHMDHSA-N 319.365 -0.577 30 20 DBED C=CCCO[C@H](C)C(=O)NCC1(O)CN(C(=O)c2cn[nH]c2)C1 1041873780 JHNDKFZOZJCFCE-LLVKDONJSA-N 322.365 -0.306 30 20 DBED COCCn1cc(C(=O)N2CC[C@H]3CCN(CC#N)[C@@H]3C2)nn1 1042046447 LKVJDDSXEANTNB-TZMCWYRMSA-N 318.381 -0.016 30 20 DBED CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)c2ccc(C#N)[nH]2)C1 1042608340 BYLPRZZFFWFYDB-SNVBAGLBSA-N 320.349 -0.386 30 20 DBED C=CCCCC(=O)N1CC(O)(CNC(=O)[C@H](C)n2cncn2)C1 1042643994 FUIKUIWVWFTOCV-LBPRGKRZSA-N 321.381 -0.115 30 20 DBED Cc1nn(C)cc1C(=O)N1CC(O)(CNC(=O)C#CC(C)C)C1 1042937101 XZADBIDARBWVDH-UHFFFAOYSA-N 318.377 -0.309 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)C2CCCC2)C1 1043039732 IPZPZSDTMWNDFN-GFCCVEGCSA-N 308.378 -0.096 30 20 DBED C#CCN1CCC(C(=O)N(C)C2CN([C@@H]3CCNC3=O)C2)CC1 1044336063 WCXCVDAACJKKRH-OAHLLOKOSA-N 318.421 -0.637 30 20 DBED N#Cc1cnccc1N1C[C@H](O)[C@H](NC(=O)[C@@]2(F)CCOC2)C1 1044425244 CYDAXRGCPAICLX-OSAQELSMSA-N 320.324 -0.252 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)c2cnn3cc[nH]c23)C1 1045547172 WLMFTNHKNMMQQR-VIFPVBQESA-N 316.321 -0.875 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@H]2CCOC2)C1 1046814637 MNMIUUIYBASGHV-XQQFMLRXSA-N 324.377 -0.697 30 20 DBED C=CCOCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)COC)C1 1048022050 ITZHNAHFACHYHH-STQMWFEESA-N 314.382 -0.354 30 20 DBED CN1CC[C@H](NC[C@H]2CN(C(=O)C#CC3CC3)CCO2)C1=O 1051609291 QVAPLVHRTOOAGC-KBPBESRZSA-N 305.378 -0.553 30 20 DBED C#CCN1CC2(C1)CN(C(=O)[C@@H](C)N1C(=O)CCC1=O)CCO2 1053280665 GSNGNUSBYHPKEW-GFCCVEGCSA-N 319.361 -0.930 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1COC2(C1)CN(CCCO)C2 1053832816 OQKFBQTVMQJWFG-GJZGRUSLSA-N 321.421 -0.574 30 20 DBED N#CCN1CC[C@]2(CCCN(C(=O)CCn3cnnn3)C2)C1 1054219041 FRKRVUMMLLBDJR-CQSZACIVSA-N 303.370 -0.099 30 20 DBED N#CCSCC(=O)N1C[C@@H]2CN(C(=O)c3cnn[nH]3)C[C@@H]2C1 1055182979 QZDBHISGGWIJBT-AOOOYVTPSA-N 320.378 -0.408 30 20 DBED C=C(C)C(C)(C)C(=O)NCCN1CCC(NC(=O)C(N)=O)CC1 1055607864 GMQDQPNBEFAONS-UHFFFAOYSA-N 324.425 -0.229 30 20 DBED C[C@H](C#N)C(=O)NCCN1CCC(NC(=O)[C@@H]2CCOC2)CC1 1055630312 YZWHSLNVMYJXIS-CHWSQXEVSA-N 322.409 -0.121 30 20 DBED N#Cc1ccc(N2CCN(C(=O)[C@@H]3CC[C@@H]3C(N)=O)CC2)nn1 1055974102 WORBELRECMTFKG-NWDGAFQWSA-N 314.349 -0.492 30 20 DBED N#Cc1nccnc1N1CCN(C(=O)[C@H]2CC[C@@H]2C(N)=O)CC1 1055974157 YAYAOAZLFCLYDC-QWRGUYRKSA-N 314.349 -0.492 30 20 DBED N#Cc1nccc(N2CCN(C(=O)[C@@H]3CC[C@@H]3C(N)=O)CC2)n1 1055974179 YNCNDQOYYGNAOF-WDEREUQCSA-N 314.349 -0.492 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)c1cnns1 1057090683 WRQIVXXEGXGRQL-UHFFFAOYSA-N 314.367 -0.709 30 20 DBED CO[C@H](C)CC(=O)N(CCO)CCNC(=O)c1ccc(C#N)[nH]1 1057163643 WIWDETPIFDALGO-LLVKDONJSA-N 322.365 -0.138 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)[C@H](C)CC(N)=O 1058291875 LSQBDIOSTSKEKG-GFCCVEGCSA-N 311.382 -0.906 30 20 DBED Cc1nc(N2CC[C@@H](NC(=O)Cn3cnnn3)C2)ccc1C#N 1058307929 BTJJAPGGUMCRPE-GFCCVEGCSA-N 312.337 -0.357 30 20 DBED Cn1oc(C(=O)N[C@@H]2CCN(c3nccnc3C#N)C2)cc1=O 1058336190 PZFBBMDLGGLYQX-SECBINFHSA-N 314.305 -0.351 30 20 DBED C#CCOCCC(=O)NCCN(CCO)C(=O)c1conc1C 1058651173 GYSQLRHQQRVRBG-UHFFFAOYSA-N 323.349 -0.426 30 20 DBED CCc1cc(C(=O)NCCN(CCO)C(=O)[C@H](C)C#N)n[nH]1 1058652699 CLSRODAPOSOCAP-SNVBAGLBSA-N 307.354 -0.318 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)[C@@H](C1CC1)N(C)C 1058659424 YUOLQAQCLDCKGJ-WCQYABFASA-N 310.398 -0.577 30 20 DBED N#Cc1nccnc1N[C@H]1C[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1 1059803177 VSSKHQCVUWGINM-XKSSXDPKSA-N 301.310 -0.911 30 20 DBED CCNC(=O)CCC(=O)NC[C@H]1COCCN1C(=O)[C@@H](C)C#N 1061420129 VBBQDBCSRPKSSI-RYUDHWBXSA-N 324.381 -0.594 30 20 DBED C#CCCCC(=O)NC[C@@H]1COCCN1C(=O)CCNC(N)=O 1061540445 LAKTYIHZOARASG-GFCCVEGCSA-N 324.381 -0.808 30 20 DBED Cn1cncc1C(=O)N1CCOC[C@H]1CNC(=O)C#CC1CC1 1061573509 UNULTENWRBEVEW-CYBMUJFWSA-N 316.361 -0.209 30 20 DBED N#Cc1cnc(N2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2COCCO2)cn1 1062449311 MVGAVCMFTXJQEG-RWMBFGLXSA-N 315.333 -0.447 30 20 DBED CN(C(=O)[C@H]1CCC(=O)N1)[C@@H]1CCN(c2cncc(C#N)n2)C1 1062901373 LODOVYHGSYDLQR-VXGBXAGGSA-N 314.349 -0.336 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(C(=O)[C@@H]2CCCO2)CCO1 1064815719 ZCPOJFFKRYVSOB-KBPBESRZSA-N 306.362 -0.078 30 20 DBED C=CCOCC(=O)N1CCO[C@@H](CNC(=O)Cc2ccon2)C1 1064976811 QEQRFMZKEGLCJR-ZDUSSCGKSA-N 323.349 -0.237 30 20 DBED CC#CCCCC(=O)NC[C@H]1CN(C(=O)CC(N)=O)CCO1 1065000719 FJZAOCMWJQAEMI-LBPRGKRZSA-N 309.366 -0.601 30 20 DBED O=C(Cc1ncc[nH]1)NC[C@H]1CN(C(=O)C#CC2CC2)CCO1 1065137572 WYLKPRUPHNRQRC-ZDUSSCGKSA-N 316.361 -0.291 30 20 DBED C[C@]1(NC(=O)[C@H]2COC(=O)N2)CCN(c2cnc(C#N)cn2)C1 1065251174 RLYNQHYBAQTKMW-YGRLFVJLSA-N 316.321 -0.458 30 20 DBED N#Cc1ccc(N2CCOC[C@H]2CNC(=O)c2nc[nH]n2)nn1 1066494300 FVYCVNGWVKRHEW-SNVBAGLBSA-N 314.309 -0.898 30 20 DBED N#Cc1ccc(N[C@@]2(CO)CCCN(C(=O)CC(N)=O)C2)cn1 1066897313 YCNRQVZQPJRKCT-HNNXBMFYSA-N 317.349 -0.406 30 20 DBED Cc1nn[nH]c1C(=O)NCC1[C@H]2CN(c3nccnc3C#N)C[C@H]12 1068193057 VMSPOSSPUNIHEP-GHMZBOCLSA-N 324.348 -0.113 30 20 DBED CC(=O)NCC(=O)N[C@H]1COC2(C1)CN(C(=O)C#CC1CC1)C2 1068666775 ZANVXQCRTIRMNL-CYBMUJFWSA-N 319.361 -0.978 30 20 DBED CC(C)C#CC(=O)N1CC2(C[C@@H](NC(=O)c3cnn[nH]3)CO2)C1 1068918896 BAQUTUKAZMVBQW-LLVKDONJSA-N 317.349 -0.436 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1COC2(C1)CN(C(=O)Cn1ccnc1)C2 1069007309 DMVUVGOEDRHUEX-NWDGAFQWSA-N 317.349 -0.471 30 20 DBED CN(C(=O)[C@@H]1CCC(=O)N1)C1CC(N=c2cc[nH]c(C#N)n2)C1 1069758738 PPOTUKQDQLKZEZ-ILDUYXDCSA-N 314.349 -0.550 30 20 DBED C#CCN1CCn2ncc(CNC(=O)c3nonc3C)c2C1 1069884077 PVGSRYOBKYKWHR-UHFFFAOYSA-N 300.322 -0.047 30 20 DBED C#CCNC(=O)CC(=O)NCC1(NC(=O)CCC)CCOCC1 1069947465 CNXOQHKWKVLUND-UHFFFAOYSA-N 323.393 -0.292 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CCCN(C(=O)c2cn(C)nn2)C1 1070686448 QPAYKXZTKXQFHE-ABAIWWIYSA-N 321.381 -0.137 30 20 DBED N#CCN1CCNC(=O)CCN(C(=O)CCc2ccon2)CC1 1070980022 LDBCVLNRMSHDSF-UHFFFAOYSA-N 319.365 -0.219 30 20 DBED C=CCCC(=O)N[C@@H]1CN(C(=O)CCn2cnnn2)C[C@@H]1C 1072599564 KZZQEEOQWGUHCT-NWDGAFQWSA-N 306.370 -0.008 30 20 DBED CC(C)C#CC(=O)NC1(C)CCN(C(=O)Cn2cnnn2)CC1 1072863043 DMSZTGQANKAHGO-UHFFFAOYSA-N 318.381 -0.170 30 20 DBED C[C@@H]1CN(C(=O)Cn2ncnn2)CC[C@@H]1NC(=O)C#CC1CC1 1073949424 QSYQJCHFXZNBIU-YPMHNXCESA-N 316.365 -0.560 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)c3cnn(C)c3OC)C[C@@H]21 1074392217 GQQDQNJURWIMRI-UONOGXRCSA-N 318.377 -0.023 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(C(=O)Cn2ncnn2)[C@H](C)C1 1074894284 OGKHFNSHZBKIFR-NEPJUHHUSA-N 322.369 -0.629 30 20 DBED C#CCCN1C[C@@H]2CCN(C(=O)[C@H]3CCS(=O)(=O)C3)[C@@H]2C1 1076008860 KUXPGAKNMFVGBG-MELADBBJSA-N 310.419 -0.023 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)C1=CCOCC1 1076218957 MZZQMNMXTZYKMM-LBPRGKRZSA-N 321.377 -0.516 30 20 DBED C#CCO[C@H](C)C(=O)NCC[C@H](C)NC(=O)[C@@H]1CCC(=O)N1C 1076511768 FKAOHLATZGUDTO-XQQFMLRXSA-N 323.393 -0.344 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2cn(C)nc2C(F)(F)F)C1 1077745980 BIHRHVYIOUAIBI-NXEZZACHSA-N 316.283 -0.153 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC(=O)N2C)C1 1078098949 MQESBUOLNBKHCC-IJLUTSLNSA-N 315.801 -0.089 30 20 DBED C#CCN[C@@H]1C[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)C12CCC2 1078804032 RMSNVSOBESDOMY-VXGBXAGGSA-N 318.377 -0.469 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2cnco2)C[C@@H]1O 1081346935 ORMCIYHCYUSPMA-MNOVXSKESA-N 309.322 -0.574 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@H]2CCc3cnn(C)c3C2)[C@H](OC)C1 1082067549 QVHLTTNCGHNJFP-JGGQBBKZSA-N 316.405 -0.026 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2ccc(-n3cnnc3)cc2)C1 1083858834 UXANRTCXWNCPMQ-CABCVRRESA-N 311.345 -0.325 30 20 DBED Cc1nn(C)c(C)c1[C@H](C)C(=O)N[C@@H]1CN(CC#N)C[C@@H]1O 1084121399 HAFOAMMZWSEHQH-BIMULSAOSA-N 305.382 -0.175 30 20 DBED COc1coc(C(=O)N[C@H]2CCN(CC#N)C[C@H]2O)cc1=O 1090432029 HKNPQXZHADPHMQ-GXSJLCMTSA-N 307.306 -0.663 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2ccc(=O)n(CC)n2)[C@H](O)C1 1090655749 VLIJNTLSKBOZGQ-GXTWGEPZSA-N 318.377 -0.549 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)CN2CC(=O)N(C)C2=O)[C@@H](O)C1 1090723492 XMXKGDPSNKVBGX-RYUDHWBXSA-N 324.381 -0.992 30 20 DBED N#Cc1nccnc1N1CC[C@@H](NC(=O)C#CC2CC2)[C@@H](O)C1 1092150148 BOYCDWUMNCBUHZ-OCCSQVGLSA-N 311.345 -0.183 30 20 DBED CCC(=O)N[C@H](C)C(=O)N1CCN(c2ccnc(C#N)n2)CC1 1093200615 UKOLGVCSKIHDLP-LLVKDONJSA-N 316.365 -0.088 30 20 DBED Cc1nsc(NCCNC(=O)Cn2cnnc2O)c1C#N 1093558574 CMYVHHRMCDBFSF-UHFFFAOYSA-N 307.339 -0.151 30 20 DBED C#CCN1CC(OC2CCN(C(=O)[C@@H]3CCNC3=O)CC2)C1 1093558798 CAYFZDBEKRBBJF-CQSZACIVSA-N 305.378 -0.553 30 20 DBED Cc1cc(C#N)nc(NCCNC(=O)[C@H]2CCCNC2=O)n1 1093946061 VCVQXUNVYKCFGD-NSHDSACASA-N 302.338 -0.289 30 20 DBED C=CCOCC(=O)NCCCN=c1cc[nH]c(C(=O)OC)n1 1094335992 KLFSZBAIZQDSCY-UHFFFAOYSA-N 308.338 -0.194 30 20 DBED N#Cc1ccc(NCCCNC(=O)Cn2cnnc2O)nn1 1094373522 IQJCSMZJTDRFSB-UHFFFAOYSA-N 302.298 -0.736 30 20 DBED N#Cc1cncc(NCCCNC(=O)C[C@H]2CCNC2=O)n1 1094617631 NYAZZSHOPMQMFM-SNVBAGLBSA-N 302.338 -0.207 30 20 DBED CN1CC[C@H](C(=O)NCCCNc2ccc(C#N)nn2)C1=O 1094704884 HYUDZOFLTAUKNI-LLVKDONJSA-N 302.338 -0.255 30 20 DBED Cc1[nH]ccc1C(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1 1094723186 FWLBADYVQZWDGN-NSHDSACASA-N 301.350 -0.138 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)[C@]3(C)CCNC3=O)CC2=O)C1 1094783638 UFNGVIOFQDNTFN-BDJLRTHQSA-N 320.393 -0.900 30 20 DBED C[C@@H]1CCO[C@@H]1C(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1 1094787175 NJNUFGZJFDACRN-SUNKGSAMSA-N 306.366 -0.664 30 20 DBED C=CCCN1CC(N2C[C@H](NC(=O)Cc3cnc[nH]3)CC2=O)C1 1094787846 IKZKNQVFLMHIMD-CYBMUJFWSA-N 317.393 -0.070 30 20 DBED COC[C@H](OC)C(=O)N1CC[C@@H](N=c2cc[nH]c(C#N)n2)C1 1095079781 ITKGEUMHFCEXMH-MNOVXSKESA-N 305.338 -0.556 30 20 DBED N#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cc1ccc(C(N)=O)nc1 1095618866 TZZJQZSQNSQKTN-XBFCOCLRSA-N 313.361 -0.032 30 20 DBED CN(CCCNC(=O)[C@@H]1CCC(=O)N1C)c1cnc(C#N)cn1 1095696549 DVKGIHVSXVILIE-LBPRGKRZSA-N 316.365 -0.088 30 20 DBED N#Cc1nc(=N[C@H]2C[C@@H](NC(=O)C(=O)NCC3CC3)C2)cc[nH]1 1097209456 CIYMMWTXEIYNBM-PHIMTYICSA-N 314.349 -0.645 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1C(=O)NC(C)(C)C1=O 1098328358 NRJWMGSYFNWRAS-UTUOFQBUSA-N 318.377 -0.329 30 20 DBED N#Cc1nc(=NC[C@@H]2CCN(C(=O)CCCC(N)=O)C2)cc[nH]1 1098537000 SEBGAZUKUJODQT-NSHDSACASA-N 316.365 -0.314 30 20 DBED CNC(=O)NCC(=O)N1CC[C@H](CNc2cncc(C#N)n2)C1 1098578813 FXQKEQPBQXCLFY-SNVBAGLBSA-N 317.353 -0.462 30 20 DBED C=CCNC(=O)[C@H](C)NCc1cn([C@@H]2CCN(C(C)=O)C2)nn1 1098591470 HRLRJTDRZATZEF-SMDDNHRTSA-N 320.397 -0.148 30 20 DBED C#CCNCc1cn([C@@H]2CCN(C(=O)c3cnn[nH]3)C2)nn1 1098688599 UDWKAODFBWXNSH-LLVKDONJSA-N 300.326 -0.794 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)c2ccncc2)[C@H](O)C1 1099620093 JBLKQJZTHYLSNG-UONOGXRCSA-N 318.377 -0.451 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)Cn2cc(C)cn2)[C@H](O)C1 1099712225 MAWISSATQDTTNE-HUUCEWRRSA-N 322.409 -0.054 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)CC(F)(F)F)[C@@H](O)C1 1099712916 RDGHFANBEJPNSL-UWVGGRQHSA-N 321.299 -0.760 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)CCc2ncc[nH]2)[C@@H](O)C1 1099803757 CWEDEJHCQCUAGW-KGLIPLIRSA-N 320.393 -0.457 30 20 DBED Cc1ccc(C#N)c(N(C)CCNC(=O)CCNC(N)=O)n1 1100099261 GSGUOIJBEQQKOI-UHFFFAOYSA-N 304.354 -0.128 30 20 DBED C=C(C)CN(CC)C(=O)[C@@H](C)NC1CC(CNC(=O)C(N)=O)C1 1100628477 KVRPXGMKZLXYEG-PNESKVBLSA-N 324.425 -0.231 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)Cc2ncc[nH]2)C1 1100789108 WKVZZNYCISXAMK-UHFFFAOYSA-N 303.366 -0.814 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)CN(C)C(C)C)C1 1101036284 MEVWSIGHRFJPMX-UHFFFAOYSA-N 308.426 -0.440 30 20 DBED CCCN(CCNC(=O)Cn1cnnn1)c1ncccc1C#N 1101083882 ZAMGJSPWLFHMHM-UHFFFAOYSA-N 314.353 -0.027 30 20 DBED C#CCOCCC(=O)N1C[C@H]2CN([C@H](C)C(N)=O)C[C@@]2(C)C1 1101234476 ABSNNSVEPHNNOV-IOASZLSFSA-N 307.394 -0.320 30 20 DBED COCC#CCN1C[C@@H]2CN(C(=O)Cn3cncn3)C[C@]2(C)C1 1101454518 SYGBUCWBMBWUNW-ZBFHGGJFSA-N 317.393 -0.292 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)[C@@H]1CC[C@@H]1C(N)=O 1101892896 LFKQHHAXOVHYRD-VHSXEESVSA-N 302.338 -0.848 30 20 DBED CN(C(=O)CNC(N)=O)[C@H]1CCN(c2cnc(C#N)cn2)C1 1102668150 FWEDVABQSFLGIT-JTQLQIEISA-N 303.326 -0.946 30 20 DBED C[C@H](CNC(=O)CSCC#N)CNc1ccc2nnnn2n1 1103881497 LHAZFENNXXRTQW-VIFPVBQESA-N 320.382 -0.060 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)[C@H]1COC(=O)N1 1103945717 YPOXKDJIFWAIEI-RKDXNWHRSA-N 304.310 -0.957 30 20 DBED C#CCCNCC[C@@H]1CN(C(=O)CN2CCOCC2=O)C[C@H]1C 1104297184 FBFJPVGZALZRQV-HUUCEWRRSA-N 321.421 -0.057 30 20 DBED C[C@@H](CNc1ccc(C#N)nc1)N(C)C(=O)Cn1cnnn1 1104447902 QLWQHDNDPGUGIK-JTQLQIEISA-N 300.326 -0.101 30 20 DBED N#CCNCc1cn(C2CN(C(=O)[C@@]3(F)CCOC3)C2)nn1 1105312297 JJSLSXYNGOKMSW-CYBMUJFWSA-N 308.317 -0.597 30 20 DBED C=C(C)CNCc1cn(C2CN(C(=O)Cc3nc[nH]n3)C2)nn1 1105357855 LSUYDBKGTFWFJR-UHFFFAOYSA-N 316.369 -0.312 30 20 DBED CN(CCN(C)c1ccnc(C#N)n1)C(=O)Cc1nc[nH]n1 1105470191 MZEZHHSNTNWBRN-UHFFFAOYSA-N 300.326 -0.396 30 20 DBED COc1cc(C(=O)NC[C@H](O)CN=c2cc[nH]cc2C#N)on1 1105795103 TYUTUWBGKXYYQM-SNVBAGLBSA-N 317.305 -0.425 30 20 DBED C[C@H](CCN=c1cc[nH]cc1C#N)NC(=O)[C@H]1CN(C)C(=O)N1 1106519922 URNOPCCMMIPNDI-ZWNOBZJWSA-N 316.365 -0.295 30 20 DBED N#Cc1cncc(NC/C=C\CNC(=O)[C@H]2CCC(=O)N2)n1 1107115367 JBISNIOVGXUWAD-RFMOXSJOSA-N 300.322 -0.289 30 20 DBED C#CCN1CC(n2cc(CNC(=O)C[C@@](C)(O)C3CC3)nn2)C1 1107160882 NXPAKLOIMXFETC-MRXNPFEDSA-N 317.393 -0.065 30 20 DBED C=CCCCC(=O)NCc1cn(C2CN([C@H](C)C(N)=O)C2)nn1 1107199388 IUMCEFGAJSEXGC-LLVKDONJSA-N 320.397 -0.019 30 20 DBED N#Cc1ccc(NC/C=C\CNC(=O)[C@H]2C[C@H]2C(N)=O)nn1 1107516410 COXNXQZRWXAKFG-OVVPUXAQSA-N 300.322 -0.446 30 20 DBED C=CCN1CCO[C@](C)(CNC(=O)CCN2C(=O)CCC2=O)C1 1108057838 MKYIRSWEFBGFSK-MRXNPFEDSA-N 323.393 -0.081 30 20 DBED C=CCCCN1CC(N2C[C@@H](NC(=O)CNC(N)=O)CC2=O)C1 1108502303 KTKNXONHNOBKQP-NSHDSACASA-N 323.397 -0.978 30 20 DBED CCOCC(=O)N[C@H]1CC(=O)N(C2CN(CC#CCOC)C2)C1 1108503814 JAAPDSPXPUDQNY-ZDUSSCGKSA-N 323.393 -0.926 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H](C)CN=c1cc[nH]c(C(=O)OC)n1 1108530082 CCVKYOWKZQIFFF-QWRGUYRKSA-N 320.349 -0.360 30 20 DBED C=C(C)CCC(=O)N[C@H]1CC(=O)N(C2CN(CC(N)=O)C2)C1 1108548789 WSBYGOZCBUSYTK-NSHDSACASA-N 308.382 -0.771 30 20 DBED CCC(=O)NCC(=O)N[C@@H](C)CN(C)c1ccnc(C#N)n1 1108879518 FJYBZJQZZBJRNW-JTQLQIEISA-N 304.354 -0.185 30 20 DBED CS(=O)(=O)CC(=O)N[C@H]1[C@H]2C[C@H]1N(c1ccc(C#N)nn1)C2 1109693588 YBHOEYLTEAMHKZ-PLMOITTCSA-N 321.362 -0.914 30 20 DBED CCNC(=O)CC(=O)N[C@@]1(C)CCN(c2nccnc2C#N)C1 1110744346 YJXGPBNNWWCURF-HNNXBMFYSA-N 316.365 -0.041 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@]1(O)CCN(c2nccc(C)n2)C1 1111098380 RGKFSNASWBAWNS-BBRMVZONSA-N 318.377 -0.119 30 20 DBED CNC(=O)CC(=O)N1C[C@H](C)[C@H](N=c2cc[nH]c(C#N)n2)C1 1112308685 LMSUQZPAXGPUAC-VHSXEESVSA-N 302.338 -0.835 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCN(CC#CCOC)CC1 1112976931 CREDHWNISZDZOA-INIZCTEOSA-N 303.406 -0.122 30 20 DBED C[C@@H](CC(=O)NC[C@@H](C)N(C)c1ccc(C#N)nn1)NC(N)=O 1113719387 COYPVQUUSNEPIP-VHSXEESVSA-N 319.369 -0.264 30 20 DBED CC(C)[C@H](CCN(C)C(=O)C(N)=O)N=c1cc[nH]c(C#N)n1 1114113058 OKAOWOAJIQBJOE-JTQLQIEISA-N 304.354 -0.460 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@@H]2CN(Cc3ocnc3C)C[C@@H]12 1114159998 PBTOGADZOGUJGP-VXGBXAGGSA-N 316.361 -0.331 30 20 DBED C=C[C@](C)(O)CC(=O)NC1[C@H]2CN(Cc3cn(C)nn3)C[C@H]12 1114194634 SPIMFVCTPRRROS-HUBLWGQQSA-N 305.382 -0.311 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)c3cn(C)c(=O)cn3)[C@@H]2C1 1114589983 LWWDBJZJVIYFFN-VXGBXAGGSA-N 316.361 -0.910 30 20 DBED Cc1cnn(C)c1C(=O)NC1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]12 1114708019 SXSQBNXWXIUUGI-GHMZBOCLSA-N 316.365 -0.972 30 20 DBED CC#CCN1C[C@H]2C(NC(=O)C(=O)NCC(F)(F)F)[C@@H]2C1 1115026065 RZHZNKNUDHHEHS-RKDXNWHRSA-N 303.284 -0.265 30 20 DBED C#CCCN1C[C@@H]2C(NC(=O)CCn3cnccc3=O)[C@H]2C1 1115049496 KTRWQPAYIUBLOK-STQMWFEESA-N 300.362 -0.297 30 20 DBED CN1CC[C@H](CC(=O)NC2[C@H]3CN(CC(=O)NCC#N)C[C@H]23)C1 1115127987 CPRYMXYXKUSVSA-AGIUHOORSA-N 319.409 -0.986 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)c3nonc3C)[C@H]2C1 1115346320 UMMHHSOTTVIKID-MEWQQHAOSA-N 317.349 -0.824 30 20 DBED C=CCOCCNC(=O)C(=O)NCC1(S(C)(=O)=O)CCC1 1118625138 XWSOBFYKSDENOM-UHFFFAOYSA-N 318.395 -0.611 30 20 DBED N#Cc1cccnc1N[C@H](CO)CNC(=O)[C@H]1CCC(=O)N1 1121331872 KWBWIOARXKXZGA-WDEREUQCSA-N 303.322 -0.879 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)CCn2ccnn2)cn1 1121365957 PZBMOGMQTJYSDB-CYBMUJFWSA-N 315.337 -0.476 30 20 DBED N#Cc1cncc(N[C@H](CO)CNC(=O)CC2(O)CCC2)n1 1121529120 UUTCYJHBJSTBHM-NSHDSACASA-N 305.338 -0.458 30 20 DBED CN1CC[C@H](C(=O)NC[C@H](CO)Nc2nccnc2C#N)C1 1121592113 YMYIYQQZGXMNCL-WDEREUQCSA-N 304.354 -0.811 30 20 DBED Cc1cc(=N[C@@H](CO)CNC(=O)CN(C)C(C)C)c(C#N)c[nH]1 1121668676 JDHSXOWLMPTLHB-CQSZACIVSA-N 319.409 -0.087 30 20 DBED CCOCCOCC(=O)NC[C@@H](CO)Nc1cnc(C#N)cn1 1121679338 ZVXIJRSPWOZXMV-LBPRGKRZSA-N 323.353 -0.710 30 20 DBED COCCC[C@@H](C)C(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1 1121985386 RKFBYALNHOOCOM-NEPJUHHUSA-N 321.381 -0.278 30 20 DBED Cc1ncn(C)c1C(=O)NC[C@@H](CO)Nc1ccc(C#N)nn1 1122146353 BMZYZCAOQCJIFZ-NSHDSACASA-N 315.337 -0.407 30 20 DBED CCN(C)C(C)(C)C(=O)NC[C@@H](CO)Nc1nccnc1C#N 1122191212 TWNAJSHCQYQRSR-NSHDSACASA-N 320.397 -0.032 30 20 DBED Cc1ccc(C#N)c(N[C@@H](CO)CNC(=O)C(C)(C)C(N)=O)n1 1122198235 PRVUATXFQRUMNU-LLVKDONJSA-N 319.365 -0.338 30 20 DBED N#Cc1c[nH]ccc1=N[C@H](CO)CNC(=O)c1csnn1 1122364523 NCOIEQXCNKOZCY-VIFPVBQESA-N 304.335 -0.571 30 20 DBED C[C@@H]1C[C@@H](Nc2cnc(C#N)cn2)CN1C(=O)CCNC(N)=O 1123232585 RDLMCEAEJXAIRG-NXEZZACHSA-N 317.353 -0.192 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)c1cnn(C)c1C 1123592219 ONCCPLVPQHBPSA-UHFFFAOYSA-N 322.369 -0.940 30 20 DBED Cc1nonc1C(=O)N(C)C[C@@H](O)CNc1cncc(C#N)n1 1124398961 HHQCHLCMJPHIBW-JTQLQIEISA-N 317.309 -0.415 30 20 DBED CN(C[C@H](O)CN(C)c1nccnc1C#N)C(=O)c1cnco1 1125230049 IWDINWYRQARFJP-SNVBAGLBSA-N 316.321 -0.094 30 20 DBED C#CCO[C@H](C)C(=O)NCCNCC1(CS(C)(=O)=O)CC1 1127046246 OROWALBGMGDSST-GFCCVEGCSA-N 316.423 -0.445 30 20 DBED CN(CCOCCNc1ccc(C#N)nc1)C(=O)CNC(N)=O 1127167672 CPOCYQKLIOVYMI-UHFFFAOYSA-N 320.353 -0.492 30 20 DBED C#CCCNCc1nnc2n1CC[C@H](NC(=O)COC)CC2 1127904025 CSHOCPBBHDGBCF-GFCCVEGCSA-N 305.382 -0.142 30 20 DBED C=CCCC(=O)N[C@@H]1CCc2nnc(CNCC(N)=O)n2CC1 1127958250 AJFKSIYJMGOTPA-LLVKDONJSA-N 320.397 -0.360 30 20 DBED C[C@@H](O)CN1CCn2ncc(CNC(=O)CSCC#N)c2C1 1128214562 YDTYUJIEIUDYQH-LLVKDONJSA-N 323.422 -0.048 30 20 DBED C=CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)C2(C(N)=O)CC2)C1 1129223396 BGZDFHZRXPTRBA-NEPJUHHUSA-N 318.381 -0.539 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)C(C)(C)NC(C)=O)C1 1129326148 BNUANQVJCQXWTH-OLZOCXBDSA-N 320.397 -0.280 30 20 DBED CC#CCN[C@@H]1CN(C(=O)CSCC#N)C[C@@H]1n1ccnn1 1129603741 IHTACHIICCTNEC-OLZOCXBDSA-N 318.406 -0.100 30 20 DBED C#CCCN1C[C@H]2C[C@H]3CN(C(=O)[C@@H](C)NC(C)=O)C[C@@]3(C1)O2 1131177105 DUISVFXYUDCSHO-DUFGSWQCSA-N 319.405 -0.164 30 20 DBED C=CCOCCN1C[C@H](NC(=O)c2nnn(C)n2)CC[C@H]1C 1132224037 JRNORHLIRGOMHV-VXGBXAGGSA-N 308.386 -0.005 30 20 DBED Cc1nn(C)cc1C(=O)N[C@H](C)C[C@H](C)NCC(=O)NCC#N 1133937347 XNJQUMCUPXPNIF-WDEREUQCSA-N 320.397 -0.145 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1cc2ncccn2n1 1135587303 UEPLNJYBVSPFCP-NSHDSACASA-N 314.349 -0.813 30 20 DBED CCN(CC)CC(=O)N[C@H](C)C[C@H](C)NCC(=O)NCC#N 1135742933 BAMBWXRSXYGWHC-QWHCGFSZSA-N 311.430 -0.159 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)[C@]1(C)CCOC1 1135777100 RCMKXODWZRZONM-OAHLLOKOSA-N 310.398 -0.119 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)c1[nH]cnc1C)C2 1148923009 AXVAJCOVSPKHHH-UHFFFAOYSA-N 315.377 -0.385 30 20 DBED COC[C@@H](O)CN1CCCO[C@@H](CNC(=O)C#CC(C)C)C1 1149681082 GPTLYCDISFISHV-GJZGRUSLSA-N 312.410 -0.140 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN([C@@H]2CCCNC2=O)CCCO1 1149693804 CHMCEBDFEVYKHL-HUUCEWRRSA-N 319.405 -0.115 30 20 DBED C#CCCN1CCCO[C@@H](CNC(=O)C[C@H]2CCNC2=O)C1 1149853611 BYVMHFJJZMRMKD-KGLIPLIRSA-N 307.394 -0.257 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)CNC(=O)c1ccco1 1149892723 ZCIJOEXBGSJSNQ-LLVKDONJSA-N 322.365 -0.594 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)CN1CCCCCC1=O 1150387359 HNODFQKJHKRFAQ-CYBMUJFWSA-N 322.409 -0.767 30 20 DBED N#Cc1cccc(CNCCNC(=O)C[C@@H]2CC(=O)NC2=O)c1 1153886679 GLFSZNNKRYHLLO-CYBMUJFWSA-N 314.345 -0.183 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)CCCC(=O)NC 1156875020 RGMUWJGFWHKUKW-GFCCVEGCSA-N 310.398 -0.864 30 20 DBED C=C[C@](C)(O)CC(=O)NCCCNC[C@H](O)COCCOC 1157201936 NNBATSKIIOHBRK-ZFWWWQNUSA-N 318.414 -0.567 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)Cc2nnc(C)o2)C1=O 1157466552 NOJSHHBBEUFRSF-LBPRGKRZSA-N 321.381 -0.197 30 20 DBED C=CCNC(=O)CNCCCNC(=O)c1cc(OC)ncn1 1158183187 DWCWVNDNJMBWPN-UHFFFAOYSA-N 307.354 -0.503 30 20 DBED C#CCN1CC=C(CCNC(=O)C[C@@H]2NC(=O)NC2=O)CC1 1160386135 IXYNKFSSILSLQQ-LBPRGKRZSA-N 304.350 -0.644 30 20 DBED C#CCCN1CCC(CNC(=O)[C@@H]2CNC(=O)N2)(COC)CC1 1162441633 QGMMMQCYKOAOOW-ZDUSSCGKSA-N 322.409 -0.464 30 20 DBED C#CCN1CCC(CNC(=O)CC(=O)N(C)C)(COC)CC1 1162521024 OODZUEWYFWDCNI-UHFFFAOYSA-N 309.410 -0.057 30 20 DBED N#CCNC(=O)CNCC1(CCNC(=O)c2cocn2)CC1 1163799388 FSLURPNHCVBXSR-UHFFFAOYSA-N 305.338 -0.196 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)CN2CCCC2=O)[C@H]1C 1178086000 OABQNRHTNYBSSP-STQMWFEESA-N 322.409 -0.510 30 20 DBED C[C@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)c1ccnn1C 1178267686 JBEYMKRANRKCHG-QWRGUYRKSA-N 304.354 -0.748 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](NCc2ncccn2)[C@@H]1C 1178508755 SBOZRFOPVLEPCF-STQMWFEESA-N 315.377 -0.305 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@H](NCc2nnn(C)n2)[C@@H]1C 1178678823 SQXWEJMEJWYMDS-SRVKXCTJSA-N 306.370 -0.673 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2cnn(C)c2)C1 1180912696 FCPXOEWMXADCIH-WCQYABFASA-N 305.382 -0.085 30 20 DBED CC#CCNC[C@H]1CN(C(=O)CC(=O)NC)CC12CCOCC2 1186356643 NOJQCTRJZGMTBZ-AWEZNQCLSA-N 321.421 -0.009 30 20 DBED C=CCNC(=O)[C@@H](C)N(C)[C@@H]1CCN(C(=O)CNC(C)=O)C1 1188692783 CQJNMYXOKMPCAW-DGCLKSJQSA-N 310.398 -0.654 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@H]1CCN(C(=O)c2ncc[nH]2)C1 1190045626 AFJWXNAAVCABJT-NEPJUHHUSA-N 303.366 -0.306 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CN(Cc2nnc(C3CC3)o2)C[C@H]1O 1191854965 SXFRRZMMBPBUSW-FBIMIBRVSA-N 305.338 -0.232 30 20 DBED C#CCCCC(=O)N[C@@H]1CN([C@@H]2CCN(C(C)C)C2=O)C[C@H]1O 1192525012 OXLNBXKUNBHMSS-RBSFLKMASA-N 321.421 -0.040 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2cc(C)no2)C[C@H]1O 1192844579 YMSUSMKPERKDCB-MRVWCRGKSA-N 307.350 -0.317 30 20 DBED C#CCC1(C(=O)N[C@@H]2CN(C[C@H](O)COC)C[C@H]2O)CCC1 1193684440 AMXLALNIFXYUEP-BFHYXJOUSA-N 310.394 -0.651 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)CCCn2ccccc2=O)C1 1195300974 BQQFKQXITKVRGD-HUUCEWRRSA-N 317.389 -0.187 30 20 DBED COCC#CCN1CCCN(C(=O)CCc2cnn[nH]2)CC1 1197188005 QHTIEUYBHCIVFW-UHFFFAOYSA-N 305.382 -0.079 30 20 DBED C=CCCC(=O)N1CCCO[C@H](CNCC(=O)NC(N)=O)C1 1200083882 QMOKSJRYIVMTDW-LLVKDONJSA-N 312.370 -0.645 30 20 DBED N#CCNC[C@H]1CN(C(=O)[C@H]2CCNC(=O)CC2)CCCO1 1201080935 TVDAOQOKKKVPJY-OLZOCXBDSA-N 308.382 -0.367 30 20 DBED N#CCNC[C@H]1CN(C(=O)[C@H]2CCCS2(=O)=O)CCCO1 1202109285 ODJWCGNXIFSCFN-NWDGAFQWSA-N 315.395 -0.706 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)c2cn(CC)cn2)CC1 1203361969 UWCUEPNONUUAAL-UHFFFAOYSA-N 317.393 -0.153 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)c2cn[nH]c2)CC1 1204596373 VCAUASAULDKEJH-UHFFFAOYSA-N 303.366 -0.399 30 20 DBED Cc1c(C(=O)N2CCC[C@H](NCC(=O)NCC#N)C2)cnn1C 1207306148 IKLXTZGSBKCZIZ-LBPRGKRZSA-N 318.381 -0.438 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)COCC=C)C1 1207681044 ZHJSZQFFNSBSNM-ZIAGYGMSSA-N 307.394 -0.093 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCN(C(=O)c2cccc(O)n2)C1 1207741830 PZFOXXRITHFERL-LLVKDONJSA-N 317.349 -0.379 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCCN(C(=O)CCN(C)C)C1 1209444114 DFKDJZVQASBSIW-KGLIPLIRSA-N 308.426 -0.343 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)c2ncccn2)C1 1210243661 IEOWULANYSDAOD-LBPRGKRZSA-N 301.350 -0.580 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@@H](C)CS(C)(=O)=O)[C@H](OC)C1 1213934557 XIYAZFJHRHSWCH-QJPTWQEYSA-N 302.396 -0.884 30 20 DBED C=CCO[C@H](C)C(=O)N1C[C@@H](NCc2nnnn2C)[C@H](C)C1 1216930078 HVRJTEFROUBMSJ-IJLUTSLNSA-N 308.386 -0.262 30 20 DBED COCC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1[nH]nnc1C 1218409009 JBMUIAQHIBIQPO-QWHCGFSZSA-N 319.365 -0.712 30 20 DBED CCN(CCC#N)C(=O)CN1C[C@H](O)[C@H](NC(=O)C2CC2)C1 1219080085 CHKXYBSBJOGVDW-OLZOCXBDSA-N 308.382 -0.680 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CN(Cc2ncc(Cl)n2C)C[C@@H]1O 1219379802 ZGXBYXLINQDLJO-AEJSXWLSSA-N 311.773 -0.106 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2nonc2C)C[C@@H]1O 1219605116 JNLFLWBKFCGHLU-RTXFEEFZSA-N 308.338 -0.922 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](NC(=O)CN(C)C(=O)COC)C1 1219740991 VENVEDZJSUXECQ-OLZOCXBDSA-N 313.398 -0.781 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)C(C)(C)CN2CCOCC2)C1 1219877478 HKNLAAMIHMXYOQ-CABCVRRESA-N 323.437 -0.471 30 20 DBED CCc1ccoc1C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@@H]1O 1220278979 WGVLGWMRFCRKHR-NEPJUHHUSA-N 320.349 -0.743 30 20 DBED N#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2CC23CCCC3)C1 1220680966 CFOXPDVPRQBUPF-XQQFMLRXSA-N 320.393 -0.632 30 20 DBED CC[C@H](C)OCC(=O)N1C[C@H]2CCN(CC(=O)NCC#N)C[C@H]21 1221483768 BIUHXRPAGDGLQR-BFHYXJOUSA-N 322.409 -0.026 30 20 DBED COCC#CCN1CC[C@@H]2CN(C(=O)[C@H]3CCC(=O)N3C)[C@@H]2C1 1221761999 KDCXXLIXEPDKBJ-RBSFLKMASA-N 319.405 -0.210 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)c2[nH]cnc2C)C1 1222142478 KMBHYQLIHIHVAL-GFCCVEGCSA-N 303.366 -0.338 30 20 DBED N#CCNC(=O)CN1CCC(CNC(=O)[C@@H]2CCCOC2)CC1 1222579296 QUVHEVLIMPMVFQ-CQSZACIVSA-N 322.409 -0.119 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)Cc2cc(C)[nH]n2)CC1 1226802720 UUQSUKKHSBKMHB-UHFFFAOYSA-N 317.393 -0.409 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)[C@H]2OCC[C@H]2C)CC1 1229234060 QGBPQWOURYSKMH-DOMZBBRYSA-N 307.394 -0.259 30 20 DBED N#CCNC(=O)CN1CCC(NC(=O)CCCCC(N)=O)CC1 1229944505 QXFNVRAIEAYBRO-UHFFFAOYSA-N 323.397 -0.748 30 20 DBED C=CCN1CC[C@H](N(C)CCCNC(=O)[C@@H](C)NC(C)=O)C1=O 1233580690 RAQDHPVWXNMPRH-OCCSQVGLSA-N 324.425 -0.264 30 20 DBED COc1ncc(NC(=O)C(=O)N(C)[C@@H](C)CC#N)cc1C(N)=O 1255498632 RWCZNXADDBTQAN-QMMMGPOBSA-N 319.321 -0.112 30 20 DBED C#CCNC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1ccccc1 1322135918 DPNHSNLOYYLCST-LLVKDONJSA-N 324.358 -0.354 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)NCCOC[C@H]1CCOC1 1322608179 ILXGDYLNDBFHQJ-AWEZNQCLSA-N 306.362 -0.359 30 20 DBED C#CCOCCNC(=O)C(=O)NC[C@@H]1CCCN(C(C)=O)C1 1322673481 YLCBVQHOGDALOV-ZDUSSCGKSA-N 309.366 -0.873 30 20 DBED CC(C)N1CC[C@H](NC(=O)C(=O)N2CC[C@](F)(C#N)C2)C1=O 1322791819 GRZYRGJKGVCUAZ-HZMBPMFUSA-N 310.329 -0.424 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N[C@@H]1CC(=O)N(C(C)(C)C)C1 1324188925 FNHYJSHPZICWQV-CYBMUJFWSA-N 317.389 -0.013 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N[C@H]2CC[C@@H](OC)C2)nn1 1325941282 ZZDYSQJQODSPPL-CMPLNLGQSA-N 307.354 -0.236 30 20 DBED C=CC[S@](=O)CC(=O)NC1CCN(S(C)(=O)=O)CC1 1333218493 JDUPSODZRDQWGJ-SFHVURJKSA-N 308.425 -0.539 30 20 DBED C=CCCOCCn1nnnc1N1CCN(CCOC)C(=O)C1 1334241541 VAKGYVZIFXLSCE-UHFFFAOYSA-N 324.385 -0.439 30 20 DBED CCC[C@]1(NC(=O)Cn2cc(C#N)c(O)nc2=O)CCOC1 1362525825 GWEDLCPMIYYQMM-AWEZNQCLSA-N 306.322 -0.104 30 20 DBED CC(C)(CC#N)CS(=O)(=O)NCc1nnc2c(=O)[nH]ccn12 1365738667 GUGJIEOHRXLPME-UHFFFAOYSA-N 324.366 -0.223 30 20 DBED CC[C@H](C(=O)N1CC(NC(=O)[C@H](C)C#N)C1)N1CCCC1=O 1374749793 KPMYZWRVZGXIMY-ZYHUDNBSSA-N 306.366 -0.126 30 20 DBED C[C@H](CNCc1nnn(C)n1)N(C)C(=O)c1cc(C#N)c[nH]1 1378751858 BDPMXTCHSOVHHA-SECBINFHSA-N 302.342 -0.340 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CCCN(C(=O)CN2CCOCC2=O)C1 1387654343 CBRLPFCIHRLFAY-RYUDHWBXSA-N 322.365 -0.888 30 20 DBED C[C@@H](C#N)C(=O)NCC1CN(C(=O)CN2CCCNC2=O)C1 1387925037 MEPNVSCONKPTGO-JTQLQIEISA-N 307.354 -0.864 30 20 DBED C[C@@H](C#N)C(=O)NC1CN(C(=O)Cn2nnc3c2CCCC3)C1 1389398853 BQAZXWWITHKGRZ-JTQLQIEISA-N 316.365 -0.356 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCN(C)C(=O)[C@@H]1CCCCN1C(N)=O 1391879607 BSQJRFVGOCZJJS-RYUDHWBXSA-N 323.397 -0.004 30 20 DBED C[C@@H](C#N)C(=O)NCC1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1409175899 MGVHZSBHAKXVIB-DOERSZECSA-N 321.377 -0.228 30 20 DBED COC(=O)C1(C#N)CCN(C(=O)C2(S(N)(=O)=O)CC2)CC1 1412941179 RLOACWRCBNFNME-UHFFFAOYSA-N 315.351 -0.887 30 20 DBED N#Cc1cc(C(=O)N2CC(NC(=O)CCn3ccnn3)C2)c[nH]1 1430185604 UXUSDTMOIFYZEX-UHFFFAOYSA-N 313.321 -0.491 30 20 DBED Cc1nsc(N(C)CCNC(=O)Cn2ncnn2)c1C#N 1439246027 LHOKLWAUJQZHEH-UHFFFAOYSA-N 306.355 -0.438 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C[C@@H](O)CC(F)(F)F)C1 1446827647 HKVNRZUCABORQA-IUCAKERBSA-N 309.288 -0.378 30 20 DBED CCN(CCNC(=O)[C@H](C)C#N)C(=O)CCN1CCOCC1 1455657860 PANHHAFBKQBUDK-CYBMUJFWSA-N 310.398 -0.167 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)C[C@H]2CCN(C)C2=O)C1 1490548745 HFGOASXCWDXFAV-OLZOCXBDSA-N 322.409 -0.653 30 20 DBED CCC(=O)NCC(=O)NCCN(C)C(=O)c1cc(C#N)c[nH]1 1527984805 YVVOKYADAOPXAA-UHFFFAOYSA-N 305.338 -0.399 30 20 DBED CO[C@H](C(=O)N(C)CCNC(=O)[C@H](C)C#N)c1cnn(C)c1 1528596968 PJZVBBZCCKCWLQ-PWSUYJOCSA-N 307.354 -0.158 30 20 DBED CC(=O)NCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]c(C#N)c1 1530924933 LWXLWWXLWPFDCQ-STQMWFEESA-N 315.333 -0.552 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)N[C@@H]2COC3(CNC3)C2)cc1 1580065030 ZXGSRVNXPQZJSX-ZDUSSCGKSA-N 314.345 -0.465 30 20 DBED C=C(C)CN[C@H](CO)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 1588430462 QCYSVFFVUZMQEQ-JTQLQIEISA-N 305.342 -0.549 30 20 DBED C#CCN1CCC[C@@H](NC(=O)[C@H]2CCCN(CC(=O)O)C2=O)C1 1588431492 ZIBYUQOGSYWEPS-CHWSQXEVSA-N 321.377 -0.477 30 20 DBED C=CCC[C@@H](CO)NC(=O)[C@H](C)n1cnc(-c2nn[nH]n2)n1 1588578022 UKHYQJKPEJGNKD-IUCAKERBSA-N 306.330 -0.538 30 20 DBED N#Cc1ncc(N2CC(=O)N(CC3CC3)C2)nc1-c1nn[nH]n1 1592708489 UZJMUJBSMFSQEL-UHFFFAOYSA-N 311.309 -0.456 30 20 DBED N#Cc1nc(=NC2CCN(C(=O)[C@H]3C[C@@H]3C(=O)O)CC2)cc[nH]1 1601134725 ZSNOKZYEGMLJKL-QWRGUYRKSA-N 315.333 -0.106 30 20 DBED C#CCN(CC(=O)O)C(=O)c1c(C)oc(C)c1S(N)(=O)=O 1602691274 DRKJRNAARHPCOX-UHFFFAOYSA-N 314.319 -0.296 30 20 DBED N#Cc1ncn(CCNC(=O)N[C@H]2C[C@H]3C[C@H](C(=O)O)C[C@@H]23)n1 1608225552 RBHSRWGNQVJMNA-YTWAJWBKSA-N 318.337 -0.052 30 20 DBED C#CCOC(=O)CNS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 1609021447 ZYPMFORVBSAIOO-UHFFFAOYSA-N 321.318 -0.679 30 20 DBED Cc1nccnc1CCNS(=O)(=O)N1CCO[C@H](C#N)C1 1649817084 CXTAVLIWQOUHNO-LLVKDONJSA-N 311.367 -0.614 30 20 DBED CCN(CCCNC(=O)c1ccc(O)nn1)CC(=O)NCC#N 1752167383 WTDLOCYLXSRBAN-UHFFFAOYSA-N 320.353 -0.736 30 20 DBED C=CCN1CC[C@H](N[C@@H](CNC(=O)CNC(C)=O)C2CC2)C1=O 1752445122 OASXUCMAGQAQFR-KBPBESRZSA-N 322.409 -0.606 30 20 DBED C#CCNC(=O)CNC1CCC(NC(=O)[C@H]2COCCO2)CC1 1752847456 QKNYAMWHUFVCLF-JXQTWKCFSA-N 323.393 -0.832 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H](C)CNC(=O)Cc1ccn(C)n1 1752872813 KPHDTXVOQWXOQV-NWDGAFQWSA-N 307.398 -0.252 30 20 DBED C#CCCNC[C@H]1CCN(C(=O)Cn2nc(C)n(C)c2=O)C1 1752958619 NTRLIXGQXUYPOO-CYBMUJFWSA-N 305.382 -0.648 30 20 DBED CC[C@H](CNC(=O)[C@H]1CCCC(=O)N1C)NCC(=O)NCC#N 1753493751 QAOODCUJNKUCGL-VXGBXAGGSA-N 323.397 -0.879 30 20 DBED Cc1nnc([C@H](C)NC[C@@H](O)CNC(=O)CSCC#N)o1 1753905101 DABHUHIOXYCPJK-WCBMZHEXSA-N 313.383 -0.238 30 20 DBED C=CCNC(=O)NC(=O)CNC[C@@H](C)NC(=O)c1cc(C)no1 1754217863 BXKHFMDSYBUXLX-SNVBAGLBSA-N 323.353 -0.297 30 20 DBED C[C@@H](CN(C)CC(=O)NCC#N)NC(=O)CCn1cccn1 1754302819 OIKJMZWBKHPDOO-LBPRGKRZSA-N 306.370 -0.651 30 20 DBED C#CCNC(=O)CNC1(CNC(=O)C[C@@H]2CCN(C)C2)CC1 1754531842 QKMMKHUCLRHZKL-ZDUSSCGKSA-N 306.410 -0.684 30 20 DBED COCC(=O)N(C)CC(=O)N1CCC2(CCN(CC#N)CC2)C1 1754560388 JXEJMVNHZMMDMX-UHFFFAOYSA-N 322.409 -0.071 30 20 DBED C#CCNC(=O)[C@H](C)N1CC(N(C)C(=O)c2cc(C)ncn2)C1 1754573444 NSZMKEWGEFGQLG-LBPRGKRZSA-N 315.377 -0.321 30 20 DBED Cc1ncc(C(=O)N2CC[C@@](C)(CNCC(=O)NCC#N)C2)[nH]1 1754690051 JYAFFTVTNQKAFE-HNNXBMFYSA-N 318.381 -0.200 30 20 DBED COCC#CCN1CCC[C@@](CO)(NC(=O)c2ncccn2)C1 1754858875 LBJBVGDRJFBKIR-MRXNPFEDSA-N 318.377 -0.317 30 20 DBED N#CCNC(=O)CNC1(CNC(=O)C2CCOCC2)CCC1 1754976703 SIAUZVQIIWMMAG-UHFFFAOYSA-N 308.382 -0.319 30 20 DBED COCC#CCN1CCN([C@H]2CCN(C(=O)CCOC)C2)CC1 1755018062 TUTOUWCUVYASLE-INIZCTEOSA-N 323.437 -0.109 30 20 DBED C=CCCN[C@@]1(CO)CCCN(C(=O)c2cc(=O)n(C)cn2)C1 1755086561 UYJLSNSJGSVYLF-INIZCTEOSA-N 320.393 -0.087 30 20 DBED C#CCN1CC(CCO)(NC(=O)CS(=O)(=O)CC(C)C)C1 1755332948 RQEPSTHUMPODBO-UHFFFAOYSA-N 316.423 -0.757 30 20 DBED N#CCN1CC(CCO)(NC(=O)c2cnc3[nH]ncc3c2)C1 1755332993 TUWWNNQYLJRYRH-UHFFFAOYSA-N 300.322 -0.352 30 20 DBED COCC#CCN1CC([C@@H](C)NC(=O)c2cncnc2O)C1 1755380090 YQCOFDSUKRFKEI-LLVKDONJSA-N 304.350 -0.118 30 20 DBED CC(C)[C@@H](CCNC(=O)c1cncn1C)NCC(=O)NCC#N 1755549855 GPRUTMFUQQEGKQ-GFCCVEGCSA-N 320.397 -0.206 30 20 DBED C#CCCN[C@@H](CO)CNC(=O)c1ccc2nnc(O)n2c1 1755642585 XDJUXLFDVMYBTE-LLVKDONJSA-N 303.322 -0.862 30 20 DBED C#CCCNC[C@@H](O)CN(C)C(=O)[C@H](OC)c1cnn(C)c1 1755784348 LYWNXVFHIVECJB-ZIAGYGMSSA-N 308.382 -0.460 30 20 DBED CCC[C@H](C(=O)NCC1=CCN(CC#N)CC1)S(N)(=O)=O 1755890353 FAQLLDBMNLLKKM-GFCCVEGCSA-N 314.411 -0.285 30 20 DBED C[C@H](CC(N)=O)C(=O)NCC1CC(NC(=O)C#CC2CC2)C1 1755934664 LFMLJVCXPHSUSG-QFWMXSHPSA-N 305.378 -0.078 30 20 DBED C=CCOCC(=O)N1CCO[C@H]([C@@H](C)NC(=O)c2cc[nH]n2)C1 1756218274 RFSJAWRKJUELRK-YPMHNXCESA-N 322.365 -0.042 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@H](CO)NC(=O)Cc1[nH]cnc1C 1756516225 YAXSWLNDSQLVLK-IAQYHMDHSA-N 324.381 -0.819 30 20 DBED Cc1nccn1CC(=O)NC[C@H](CO)NC(=O)C#CC(C)C 1756522603 MZLILWFYBQZHLP-CYBMUJFWSA-N 306.366 -0.556 30 20 DBED C#CCCCC(=O)N(C)C[C@@H](O)CNC(=O)C(=O)NCC1CC1 1756660965 PJSOGYHKROWJDA-ZDUSSCGKSA-N 323.393 -0.748 30 20 DBED CCCOCC(=O)N[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1O 1756984083 ZBTDKWXZHPGVEH-CHWSQXEVSA-N 320.349 -0.386 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ncccn1 1794191612 MEPJYPVUUTWKBI-DRXBFXEBSA-N 314.345 -0.758 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(C)cn1 1794705481 BCQWQMACLYZUGK-JJLQDPRZSA-N 314.345 -0.379 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)C(C)C)C2 1800456078 KSVJVWRTHFOCNB-YWVIFJGQSA-N 307.394 -0.451 30 20 DBED C=CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1841611975 VDFGGFWWMPWLAR-GFCCVEGCSA-N 320.345 -0.131 30 20 DBED C[C@H](S)C(=O)N1CC2(CCCN2C(=O)CS(C)(=O)=O)C1 1842780470 LCMPTBUCDFDRMS-VIFPVBQESA-N 320.436 -0.447 30 20 DBED C[C@H](S)C(=O)N1CCCC12CN(C(=O)c1cnnn1C)C2 1846367008 SYOKGWYSDIIZPH-VIFPVBQESA-N 309.395 -0.050 30 20 DBED C[C@H]1CN(CCCNC(=O)Cn2cnc(C#N)n2)C[C@@H](C)O1 27723659 KYEGJNKPMUBPPN-TXEJJXNPSA-N 306.370 -0.235 30 20 DBED CC(C)n1nnnc1Sc1c(C#N)c(=O)n(C)c(=O)n1C 54369221 KEDPDTLUFTUMEI-UHFFFAOYSA-N 307.339 -0.326 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N1CCC2(CC1)CNC(=O)C2 75014250 PKOXPCRHMVKHED-LLVKDONJSA-N 308.382 -0.011 30 20 DBED N#C[C@H]1CN(S(=O)(=O)N2CCCC[C@@H]2C(=O)O)CCO1 226159083 DHEUNRRYZPBBIJ-VHSXEESVSA-N 303.340 -0.605 30 20 DBED C=CC/N=C(/NCC(=O)N(C)C)N[C@H]1CCc2ncnn2C1 262296596 MMOISZARSOJENI-NSHDSACASA-N 305.386 -0.598 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCCC[C@@H]2CN)C1=O 262641685 SFZKMTBXJQOPSA-MNOVXSKESA-N 322.365 -0.403 30 20 DBED N#Cc1cccc(S(=O)(=O)NC[C@H]2CC(C(N)=O)=NO2)c1 275834310 CUMMTAKWJAVVAX-SECBINFHSA-N 308.319 -0.533 30 20 DBED CCn1cc(C#N)c(=O)n(C[C@@H](O)CO[C@@H](C)COC)c1=O 278621161 KMIIPXUUFFBHTR-CMPLNLGQSA-N 311.338 -0.686 30 20 DBED N#Cc1ccc(S(=O)(=O)CCN2CCOC[C@@H]2C#N)nc1 290058875 VLZZCQDWCYSUBS-LBPRGKRZSA-N 306.347 -0.049 30 20 DBED C#CCn1ccc(CN(CC)C(=O)[C@H](CO)NC(=O)C(C)C)n1 292934858 OWGWOFDJHFGADG-AWEZNQCLSA-N 320.393 -0.002 30 20 DBED COCCN1CCC(/N=C(/O)N(C)[C@@H]2COC[C@H]2O)CC1 329241975 OAGNOGIQSVNEKG-CHWSQXEVSA-N 301.387 -0.297 30 20 DBED CC(C)N1C[C@H](/N=C(/O)N2C[C@H]3[C@@H](C2)OCCN3C)CC1=O 329626189 TVTSTUFVMYZRPQ-FRRDWIJNSA-N 310.398 -0.076 30 20 DBED CN(C)C[C@@H]1CN(/C(O)=N/CCN2CCN=C(O)C2)CCO1 329699009 FYHDVADVYLBKRI-GFCCVEGCSA-N 313.402 -0.565 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCC(O)(CN2CCOCC2)CC1 330889496 BHDWLPMSTJHXTH-OAHLLOKOSA-N 312.410 -0.001 30 20 DBED Cc1noc(CN2CCN(/C(O)=N/[C@@H](C)C(=O)N(C)C)CC2)n1 331144545 VMEDCPZZDAIORX-JTQLQIEISA-N 324.385 -0.114 30 20 DBED CC(C)N1CCC[C@@H](NS(=O)(=O)N2CCO[C@H](C#N)C2)C1 336956015 ZACNDLZWGQGRIV-CHWSQXEVSA-N 316.427 -0.082 30 20 DBED CCN1CCN(S(=O)(=O)N(C)C[C@H](C)C#N)[C@@H](C)C1=O 337150950 JKLVFCRGFNXWIA-MNOVXSKESA-N 302.400 -0.125 30 20 DBED COC(=O)C1(O)CCN(S(=O)(=O)c2ccc(C#N)o2)CC1 344724185 NURBMLPYDJJIOF-UHFFFAOYSA-N 314.319 -0.160 30 20 DBED C=C(C)COCCNC(=O)Cn1cc(S(N)(=O)=O)cn1 344901042 HXPFWIAXJLVBKU-UHFFFAOYSA-N 302.356 -0.761 30 20 DBED COC(=O)CN1CCN([C@H](C(N)=O)c2ccc(C#N)cc2)CC1 355235926 GWBVBKZHLQVNTK-HNNXBMFYSA-N 316.361 -0.125 30 20 DBED C[C@H]1CC(=O)NCCN1CC#CCN1CCNC(=O)C[C@@H]1C 367449049 MMBTUOUPNJGDCM-KBPBESRZSA-N 306.410 -0.589 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC(O)(CN2CCOCC2)CC1 378426649 IDIUGJXURISQAQ-CQSZACIVSA-N 309.410 -0.717 30 20 DBED N#CCCNC(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2CN)C1=O 388093701 UFLMGIWKMQFSGO-IINYFYTJSA-N 307.354 -0.544 30 20 DBED CC(C)(C)[C@H](C#N)NC(=O)CCn1cc(S(N)(=O)=O)cn1 427484986 YIAPXWGFUCRUNY-JTQLQIEISA-N 313.383 -0.025 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC(N(C)S(C)(=O)=O)CC1 490853577 TVNKXASJUCSCHL-LLVKDONJSA-N 301.412 -0.520 30 20 DBED C#CCNC(=O)CCN1CCC(NS(=O)(=O)CCC)CC1 491644043 IJALMHIYWKZIHP-UHFFFAOYSA-N 315.439 -0.080 30 20 DBED CC(=O)c1cccc(OC[C@H](O)CNCC(=O)NCC#N)c1 516762932 YNSAIGSYUKMHKL-CYBMUJFWSA-N 305.334 -0.142 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1CCN(c2ncc[nH]2)CC1 572494273 PSIHASJKQXIOBW-NSHDSACASA-N 306.370 -0.068 30 20 DBED CC#CC[C@@H](CO)NS(=O)(=O)c1cccnc1C(=O)OC 592113864 UBLWZCBEDQEUPX-JTQLQIEISA-N 312.347 -0.079 30 20 DBED N#Cc1ccc(S(=O)(=O)NCC(=O)NCC2CNC2)cc1 592540839 PWCUZCBUKYGHND-UHFFFAOYSA-N 308.363 -0.828 30 20 DBED CN(CC(C)(C)C#N)C(=O)NCCNS(=O)(=O)N(C)C 596613952 JCAOTUAVSMWQBF-UHFFFAOYSA-N 305.404 -0.426 30 20 DBED C=CC(C)(C)CCNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 599957835 LRZRLYLREHTARM-NWDGAFQWSA-N 322.409 -0.525 30 20 DBED N#Cc1ccc(S(=O)(=O)NCc2nnnn2C2CC2)cn1 610269124 KOBOMJPPIXIHKG-UHFFFAOYSA-N 305.323 -0.247 30 20 DBED CN(C)C(=O)CN1CCN(S(=O)(=O)CCCC#N)CC1 610738536 CTFXOAHLNVMIFO-UHFFFAOYSA-N 302.400 -0.674 30 20 DBED C=CCn1cc(CNC(=O)[C@H](C)NS(=O)(=O)CC)nn1 616410470 GWAKHDXPVBGJTR-VIFPVBQESA-N 301.372 -0.592 30 20 DBED CC(=NNC(=S)NCC(N)=O)c1cccc(-c2nn[nH]n2)c1 735451131 PKMIUMNKTYPSBG-UHFFFAOYSA-N 318.366 -0.460 30 20 DBED NS(=O)(=O)CCCOC(=O)C#Cc1ccc2c(c1)OCO2 761226802 SEXKTWJGFNRRDO-UHFFFAOYSA-N 311.315 -0.011 30 20 DBED Cc1cc(O)cc(=O)n1[C@H](C)C(=O)OCC(=O)NCCC#N 764021745 VGBMHLPOZYBFJF-SNVBAGLBSA-N 307.306 -0.004 30 20 DBED C[C@@H](CC(=O)N1CC(O)C1)/N=C1/NS(=O)(=O)c2ccccc21 765854659 KDLZTDUSXRYPKE-VIFPVBQESA-N 323.374 -0.293 30 20 DBED C#CCNS(=O)(=O)N1CCN(CC[C@@H]2CCCN2C)CC1 767589995 PSDVIQFUKMQZKJ-AWEZNQCLSA-N 314.455 -0.444 30 20 DBED CC(C)(C#N)CS(=O)(=O)NC[C@H]1CCCN1S(C)(=O)=O 790041201 AGWLKONVXHFNJV-SNVBAGLBSA-N 323.440 -0.120 30 20 DBED C#CCOCCNC(=O)N1CCC(CS(N)(=O)=O)CC1 799970830 VPNGTKOYCWIBEL-UHFFFAOYSA-N 303.384 -0.654 30 20 DBED C=C[C@@H](O)C(=O)OCC(=O)N[C@H](C(=O)NC)c1ccccc1 814545443 UCCKMKOUPZOPSP-YPMHNXCESA-N 306.318 -0.320 30 20 DBED C#CC[C@H](NS(=O)(=O)c1cnn(CC(F)F)c1)C(=O)OC 841542167 XMIDRBJXAYSHHU-VIFPVBQESA-N 321.305 -0.009 30 20 DBED CC1=C(C(=O)N[C@@H]2CNC[C@H]2C#N)[C@@H](C)n2ncnc2N1C 843460336 NSMBRYZURMXNIW-GMTAPVOTSA-N 301.354 -0.209 30 20 DBED C=C[C@@H](C)ONC(=O)N1CCN(C(=O)Cn2cnnn2)CC1 844285351 CWXZUKWBBGCPSS-SNVBAGLBSA-N 309.330 -0.967 30 20 DBED N#CCOc1ccc(CNC(=O)[C@@H]2CCS(=O)(=O)N2)cc1 845418269 BVMTZTXZFFPNQK-LBPRGKRZSA-N 309.347 -0.103 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)/C=C(/C)COC)CC1 845441639 FONRXKMNYRXWBM-KAMYIIQDSA-N 307.394 -0.137 30 20 DBED N#Cc1ccc(NCCNC(=O)N2CCC(O)(CO)CC2)nc1 853382653 BHONQEAQNLFMEY-UHFFFAOYSA-N 319.365 -0.106 30 20 DBED C#CC[C@@H](CCOC)NC(=O)N1CCN(CC(=O)NCC)CC1 859025831 BORZZLWHQKJCLB-AWEZNQCLSA-N 324.425 -0.122 30 20 DBED C#CC1(O)CN(C(=O)CCN2CCN(c3ccccn3)CC2)C1 890523566 SDHNLBZEYCVJFZ-UHFFFAOYSA-N 314.389 -0.200 30 20 DBED C#CCN1CCC[C@@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 923585417 SRKMHCRIFTXPCU-GFCCVEGCSA-N 318.333 -0.030 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2ncc[nH]2)C1 937917147 OMYAMSDWQHFVTD-STQMWFEESA-N 315.377 -0.162 30 20 DBED CC[C@@H](C(N)=O)N1CC(N2CCN(C(=O)[C@H](C)C#N)CC2)C1 941348599 PTMQKZAKLMQWMS-YPMHNXCESA-N 307.398 -0.762 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](NC(=O)c2cccc(=O)n2C)C1 942372545 JXUOMTQPBUEEPM-GHMZBOCLSA-N 302.334 -0.124 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H]2CNC(=O)[C@H]2CCCO2)nn1 948885379 LDUFMLAEGBPAKL-WCQYABFASA-N 319.365 -0.026 30 20 DBED C#CCCN1CCN(C(=O)[C@H]2CCc3nnc(O)n3C2)CC1 948939181 FKEUBZKVQRVIHC-LBPRGKRZSA-N 303.366 -0.286 30 20 DBED C#CCCN1CCOC2(CCN(C(=O)Cn3ncnn3)CC2)C1 949366026 QKPXECRQZOSNID-UHFFFAOYSA-N 318.381 -0.610 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@H]2CCC(=O)N2)C1 953894360 VSCJKRBLESTXQY-UPJWGTAASA-N 321.377 -0.475 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2c(C)c(C)nn(C)c2=O)C1 958309634 OPAAOEQBGQOMTF-OLZOCXBDSA-N 318.377 -0.947 30 20 DBED Cc1cnc(C(=O)N(C)[C@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)cn1 958460948 KZRXBAXYEAGMSP-XDTLVQLUSA-N 317.349 -0.412 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cnnn1C 960315256 WKHVWVXVDOAGSN-ADEWGFFLSA-N 318.337 -0.973 30 20 DBED O=C(C#CC1CC1)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1nc[nH]n1 960756946 GZQBNBUHQOLLKA-NWDGAFQWSA-N 315.333 -0.730 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H]2CN(C(=O)C(C)(C)C(N)=O)C[C@@H]21 960873214 ADPVZZHUWUIKRU-OUAUKWLOSA-N 322.365 -0.904 30 20 DBED C=CCN1C[C@@H]2C(NC(=O)CN3C(=O)NC(C)(C)C3=O)[C@H]2C1 962461767 KBRZXPXQRJBOIL-UWVGGRQHSA-N 306.366 -0.451 30 20 DBED CCOC1CC(C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2O)C1 962678021 FQGXHVJOVMXPIJ-CVSAEHQPSA-N 320.389 -0.097 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1NC(=O)Cn1cnnc1O 966397708 IGNHLDWWCFAGJA-PWSUYJOCSA-N 317.349 -0.640 30 20 DBED CN1CC[C@H](C(=O)N2CC[C@]3(CN(CC#N)CCO3)C2)C1=O 972507009 SSWPXYIGJXTOCV-WFASDCNBSA-N 306.366 -0.708 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H](CNC(=O)c2cn(C)nn2)C1 975249670 VYTCBEWBXDGJAR-GHMZBOCLSA-N 304.354 -0.057 30 20 DBED N#Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)c3cnn[nH]3)C2)[nH]1 982962525 DHLRYBQPVMTRMV-SECBINFHSA-N 313.321 -0.103 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C(=O)N2CCN(CCO)CC2)CC1 985825518 PSXALURCGVYQRD-CYBMUJFWSA-N 323.397 -0.980 30 20 DBED C=C(C)C(C)(C)C(=O)N1CC(NC(=O)Cn2c(O)nnc2O)C1 997258753 UWKXUBQNZNDMLN-UHFFFAOYSA-N 323.353 -0.381 30 20 DBED C[C@H](C#N)C(=O)N1CC(CNC(=O)c2c[nH]c(C(N)=O)c2)C1 1002016271 UBHSDNRGGMDMRM-MRVPVSSYSA-N 303.322 -0.539 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H]1CCCN1C(=O)C(N)=O 1002920787 IDRUHQBQKZPNIB-UTUOFQBUSA-N 309.366 -0.488 30 20 DBED C#Cc1cncc(C(=O)N2CC(CNC(=O)c3cnn[nH]3)C2)c1 1003122052 ONXQMMVTZSAVHH-UHFFFAOYSA-N 310.317 -0.317 30 20 DBED C=CCn1cc(C(=O)N[C@@H](C)[C@H]2CN(C(C)=O)CCO2)nn1 1009593143 POKOIZOQKMAUNO-GXFFZTMASA-N 307.354 -0.170 30 20 DBED C[C@@H](C(=O)N1CCN(C(=O)C#CC2CC2)CC1)n1cncn1 1011023946 ZWXZIRHHWSRBKI-LBPRGKRZSA-N 301.350 -0.077 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C(=O)c2ccc(C(N)=O)nc2)CC1 1011330636 YKTCCAAIHQDIKV-JTQLQIEISA-N 315.333 -0.375 30 20 DBED O=C(NC[C@@H]1CN(C(=O)C#CC2CC2)CCCO1)c1nc[nH]n1 1019644789 LHYYTAWNPRGTDT-GFCCVEGCSA-N 317.349 -0.435 30 20 DBED C#CCN1CC[C@@H]2[C@H](CCCN2C(=O)Cn2ncn(C)c2=O)C1 1021618008 BKTBXZFSEWFXRH-ZIAGYGMSSA-N 317.393 -0.472 30 20 DBED N#Cc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cc[nH]c3)C2)c[nH]1 1024100232 GZRPWHNUJJRENZ-CHWSQXEVSA-N 313.317 -0.170 30 20 DBED CCn1nc(C)c(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2O)n1 1024436572 HVWDDLUXRGDQFP-JMJZKYOTSA-N 320.353 -0.932 30 20 DBED C=C(C)CN1CCCC[C@H]1CNC(=O)c1cn(CC(N)=O)nn1 1024812709 RNZNEWNEWJESNG-LBPRGKRZSA-N 320.397 -0.076 30 20 DBED C#CCCN1CCCC[C@H]1CNC(=O)c1cn(CC(N)=O)nn1 1024812963 UGFOTJQKDBZEFB-LBPRGKRZSA-N 318.381 -0.629 30 20 DBED C#CCN1CCC[C@H]([C@@H](C)NC(=O)C2CC(=O)NC(=O)C2)C1 1025562353 RRZBMSKWLFTHIL-NEPJUHHUSA-N 305.378 -0.111 30 20 DBED C[C@@H](NC(=O)C1CC(=O)NC(=O)C1)[C@H]1CCCN(CC#N)C1 1025562940 WHZCQUACCOVOFP-MNOVXSKESA-N 306.366 -0.221 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccnnc2)C1 1025786184 IFTSCVXSIPBTAQ-VXGBXAGGSA-N 304.350 -0.010 30 20 DBED N#CCN1CC[C@@H](CNC(=O)c2coc(S(N)(=O)=O)c2)C1 1028637911 XXBREVMMVHFJQU-VIFPVBQESA-N 312.351 -0.498 30 20 DBED N#Cc1cccc(CN2CC(NC(=O)[C@H]3COC(=O)N3)C2)c1 1030269526 UQNQTCXQEKSXNF-CYBMUJFWSA-N 300.318 -0.033 30 20 DBED C#CCCN1CC(NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 1030309910 VAHLXSBEUXKOHJ-NSHDSACASA-N 301.350 -0.414 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)[C@@]34COC[C@@H]3C4)C2)C1=O 1030343882 UEFPQVDVXWLCSI-GHJWDPDVSA-N 305.378 -0.390 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN([C@H]2CCN(CC)C2=O)C1 1030464480 VXKQULRTDJFTBX-GJZGRUSLSA-N 318.421 -0.495 30 20 DBED N#CCN1CC(CNC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 1031668232 ALBKGNVRZLJCHV-LLVKDONJSA-N 302.338 -0.666 30 20 DBED C=CCCn1cc(C(=O)N[C@H]2CCCCN(CC(N)=O)C2)nn1 1034433949 UOWDWJMCDBKUHU-LBPRGKRZSA-N 320.397 -0.076 30 20 DBED C#CCCN1CCCC[C@H](NC(=O)CN2C(=O)CN(C)C2=O)C1 1034523796 OJZIKWFOXGHJJX-ZDUSSCGKSA-N 320.393 -0.126 30 20 DBED C#CCN1CCO[C@H](CNC(=O)c2cn(CCOC)nc2C)C1 1035372229 YSAVLAKYWIPUNO-CQSZACIVSA-N 320.393 -0.098 30 20 DBED C#CCCN1CCO[C@@H](CNC(=O)c2ccoc2CC(N)=O)C1 1035485697 TYIVFDGIEVPZMC-LBPRGKRZSA-N 319.361 -0.239 30 20 DBED C#CCN1CCO[C@H](CNC(=O)[C@@H]2CCCN2C(=O)C2CC2)C1 1035541790 KPHMNUOBFSYTFV-CABCVRRESA-N 319.405 -0.162 30 20 DBED C#CCN1CCC(C(=O)NC[C@@H]2CN(CC#C)CCO2)CC1 1035613821 KHVCBPXIQQRYFS-MRXNPFEDSA-N 303.406 -0.218 30 20 DBED CC#CCN1CC2(CCN(C(=O)CN3CC(=O)NC3=O)CC2)C1 1035823911 SKMVLJAUYLUGKY-UHFFFAOYSA-N 318.377 -0.514 30 20 DBED C#CCN1CC2(CCN(C(=O)Cn3nc(C)n(C)c3=O)CC2)C1 1035844811 PXZSIESGWBTFTH-UHFFFAOYSA-N 317.393 -0.552 30 20 DBED C=C(C)CN[C@H]1CCN(C(=O)CN2CC(=O)NC2=O)C[C@H]1C 1036214517 JIJVTYQPFAYMRA-NEPJUHHUSA-N 308.382 -0.059 30 20 DBED C#CCN[C@@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C[C@@H]1CC 1037982044 IQBMOXYMTYCFQF-NWDGAFQWSA-N 318.381 -0.773 30 20 DBED C#CCCCC(=O)NC[C@@]1(O)CCN(C(=O)[C@H]2CCN(C)C2)C1 1039575859 HFZQYZACBYSMEE-YOEHRIQHSA-N 321.421 -0.179 30 20 DBED Cc1nonc1C(=O)NC[C@@]1(O)CCN(C(=O)C#CC(C)C)C1 1040221301 SHKPGYXYTSFWGQ-HNNXBMFYSA-N 320.349 -0.269 30 20 DBED CCCOCC(=O)NCC1(O)CN(C(=O)CSCC#N)C1 1041861643 JQIRUEMISLBCMD-UHFFFAOYSA-N 315.395 -0.641 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)[C@@H]2CCCOC2)C1 1041995112 SKNWSBMDWAHKMY-CYBMUJFWSA-N 308.378 -0.238 30 20 DBED C=CCOCCCC(=O)NCC1(O)CN(C(=O)c2cc[nH]n2)C1 1042307382 ROKNRLAYHDWMQO-UHFFFAOYSA-N 322.365 -0.304 30 20 DBED Cn1cc(C(=O)N2CC[C@H]3CCN(CC#N)[C@@H]3C2)c(O)nc1=O 1042353220 JXSZJYRQABPXOC-ZYHUDNBSSA-N 317.349 -0.454 30 20 DBED C=CCC(CC=C)C(=O)N1CC(O)(CNC(=O)CC(=O)NC)C1 1042727159 DGBDTDBWDHNYHI-UHFFFAOYSA-N 323.393 -0.420 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)Cc2cnoc2)C1 1042805724 SLISTEUAMNISGM-UHFFFAOYSA-N 305.334 -0.290 30 20 DBED C[C@@H]1CCCN1CC(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042963175 JOABIXYAHFXXMD-CYBMUJFWSA-N 319.405 -0.426 30 20 DBED COCc1cc(C(=O)NCC2(O)CN(C(=O)[C@@H](C)C#N)C2)no1 1043097479 MRRJZDXNXPZUPZ-VIFPVBQESA-N 322.321 -0.716 30 20 DBED C=CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2ccncn2)C1 1043571273 MUXFUHBWZUQINU-NSHDSACASA-N 320.349 -0.629 30 20 DBED C=CCCC1(C(=O)NCC2(O)CN(C(=O)c3cnn[nH]3)C2)CC1 1045778318 XLZQYLRLEGLYRC-UHFFFAOYSA-N 319.365 -0.146 30 20 DBED O=C(NCC1(O)CN(C(=O)C#CC2CC2)C1)c1n[nH]cc1F 1046205926 DIRGWPTWOKCKLA-UHFFFAOYSA-N 306.297 -0.735 30 20 DBED C#CCN1C[C@H]2C[C@@H](NC(=O)c3ccc(=O)n(C)n3)C[C@H]1C2 1047194846 ZCKPHEAOXFVMDL-YNEHKIRRSA-N 300.362 -0.004 30 20 DBED CC[C@@H](C(N)=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C#N)c[nH]2)C1 1047337922 NPDSSMMARXLPKY-AVGNSLFASA-N 319.365 -0.733 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCN(C(C)=O)C2)C1 1047449273 ALGCLVFGYHNWPL-KKUMJFAQSA-N 309.410 -0.066 30 20 DBED C#Cc1cncc(C(=O)N(C)[C@H]2CN([C@H](C)C(N)=O)C[C@@H]2O)c1 1047521133 LFVOZJYYADXDOP-SWHYSGLUSA-N 316.361 -0.946 30 20 DBED CCCN1C[C@H](C(=O)N(C)[C@H]2CN(CC#N)C[C@@H]2O)CC1=O 1047548001 LRALWWFTGJOAIX-AGIUHOORSA-N 308.382 -0.728 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)[C@H]1CN(C(=O)CSC)C[C@@H]1O 1048844015 CIPQJEMTAVNCJS-SRVKXCTJSA-N 314.407 -0.582 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)[C@@H]1CCCN(C(C)=O)C1 1051008352 VGWWMBDJQCAKNK-HUUCEWRRSA-N 307.394 -0.305 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)[C@@H]1CCCCN1C(N)=O 1051202142 ZTWFVGJSVZZBOO-OLZOCXBDSA-N 308.382 -0.630 30 20 DBED C#CCN1CCN([C@H]2CCN(C(=O)C3=COCCO3)C2)CC1 1051977519 YOQJXXCMVBLJII-AWEZNQCLSA-N 305.378 -0.274 30 20 DBED N#CCN1CCN([C@@H]2CCN(C(=O)c3nccnc3N)C2)CC1 1052000720 PFECXRBVOSHEJR-GFCCVEGCSA-N 315.381 -0.586 30 20 DBED C#CCN1CCN([C@@H]2CCN(C(=O)[C@H]3CCCNC3=O)C2)CC1 1052037990 WOCSUSZKWNXHJX-CABCVRRESA-N 318.421 -0.636 30 20 DBED C#CCCCC(=O)N1C[C@@H](C)[C@H](CNC(=O)Cn2cnnn2)C1 1052470248 BMOAUGKEGYCVCR-CHWSQXEVSA-N 318.381 -0.313 30 20 DBED C[C@H]1CN(C(=O)CCNC(N)=O)C[C@H]1CNC(=O)C#CC1CC1 1052574188 YWSHEQRGYMYJKA-WCQYABFASA-N 320.393 -0.331 30 20 DBED C#CCOCCC(=O)N1C[C@@H](C)[C@H](CNC(=O)CNC(C)=O)C1 1052594588 VSAUZQDMFMKXRW-TZMCWYRMSA-N 323.393 -0.627 30 20 DBED C=C(C)CN1CC2(C1)CN(C(=O)Cn1cnnc1O)CCO2 1053227930 GGYPDHLBWUXRQH-UHFFFAOYSA-N 307.354 -0.527 30 20 DBED CCC(=O)N1CC[C@@H](C(=O)N2CCOC3(CN(CC#N)C3)C2)C1 1053499069 RZVANSDSIQBNQR-CYBMUJFWSA-N 320.393 -0.318 30 20 DBED C#CCCN1CC2(CC[C@H](CNC(=O)[C@@H]3COCCN3C)O2)C1 1053591675 AQDSBFMVZDHKEU-CABCVRRESA-N 321.421 -0.310 30 20 DBED N#Cc1nccc(N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)Cn2cncn2)n1 1055333744 XBGFSCYASCUKKO-UTUOFQBUSA-N 324.348 -0.134 30 20 DBED CCOCC(=O)NC1CCN(CCNC(=O)[C@@H](C)C#N)CC1 1055629782 KCXBICYYSJPTOX-LBPRGKRZSA-N 310.398 -0.121 30 20 DBED C[C@H](C#N)C(=O)N[C@]1(CO)CCCN(C(=O)CC2(O)CCC2)C1 1056094913 YROINERDYFMMEE-IUODEOHRSA-N 323.393 -0.079 30 20 DBED Cn1cnc(C(=O)NC2[C@H]3CN(c4cnc(C#N)cn4)C[C@H]23)c1 1056185422 HMCMJQHIODJERO-QWRGUYRKSA-N 309.333 -0.054 30 20 DBED Cn1cncc1C(=O)N[C@H]1[C@@H]2CN(c3cncc(C#N)n3)C[C@@H]21 1056335418 IIZUTAKKFAPGHO-YABSGUDNSA-N 309.333 -0.054 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCN(CCO)C(=O)CC1CC1 1056775311 JKRUJCXXSOAKMV-HNNXBMFYSA-N 321.421 -0.179 30 20 DBED CC(C)OCC(=O)N(CCO)CCNC(=O)c1ccc(C#N)[nH]1 1057136537 OVFGHXCTQWYTFA-UHFFFAOYSA-N 322.365 -0.138 30 20 DBED Cc1cc(CC(=O)N(CCO)CCNC(=O)[C@H](C)C#N)n[nH]1 1057321675 UWNPJRWGGHFXDV-SNVBAGLBSA-N 307.354 -0.643 30 20 DBED N#Cc1ccc(C(=O)N(CCO)CCNC(=O)c2ncc[nH]2)[nH]1 1057367131 QANVOOFOOXBUIO-UHFFFAOYSA-N 316.321 -0.526 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)CCc1ncc[nH]1 1057457880 GZVXXUAICKPZPT-UHFFFAOYSA-N 320.393 -0.061 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1C[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 1059392082 QZMFHUIOHHBQMF-CKYFFXLPSA-N 300.322 -0.884 30 20 DBED CN1CCO[C@@H](C(=O)N[C@H]2C[C@@H](Nc3cncc(C#N)n3)C2)C1 1059587007 AULMEQBMZSAZGH-NTZNESFSSA-N 316.365 -0.262 30 20 DBED CC(C)C#CC(=O)N1CC[C@@H](CCNC(=O)[C@@H]2CNC(=O)N2)C1 1059611624 ZKEWNNLZZUYDPG-OLZOCXBDSA-N 320.393 -0.318 30 20 DBED N#Cc1cncc(N[C@H]2C[C@@H](NC(=O)C3CS(=O)(=O)C3)C2)n1 1059726629 LALNPAMNAYXJEQ-AOOOYVTPSA-N 321.362 -0.548 30 20 DBED C=CCCO[C@H](C)C(=O)NCC[C@@H]1CCN(C(=O)C(N)=O)C1 1060271952 ZTUNDUVQEPUGBO-VXGBXAGGSA-N 311.382 -0.192 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](CCNC(=O)Cn2ncnn2)C1 1060285727 CWGXBVCPMAHWIL-GHMZBOCLSA-N 305.342 -0.812 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](CCNC(=O)c2c[nH]c(=O)cn2)C1 1060286074 ITFFPJVEFKIKRH-MNOVXSKESA-N 317.349 -0.102 30 20 DBED C=CCn1cc(C(=O)N2CCOC[C@@H]2CNC(=O)COC)nn1 1061204172 POEURZLQUHIEQT-NSHDSACASA-N 323.353 -0.932 30 20 DBED N#Cc1ccc(N2CCC[C@@H]2CNC(=O)[C@@H]2CCNC2=O)nn1 1061422465 IYOUNIRDNSXCGL-VXGBXAGGSA-N 314.349 -0.431 30 20 DBED Cc1nnccc1C(=O)N1CCOC[C@H]1CNC(=O)[C@@H](C)C#N 1061848969 XMYCPNRLYMYTGP-CMPLNLGQSA-N 317.349 -0.098 30 20 DBED CN(C(=O)[C@H]1CCC(=O)N1)[C@@H]1CCN(c2cnc(C#N)cn2)C1 1062900240 WAFDHLHRPFVSDW-VXGBXAGGSA-N 314.349 -0.336 30 20 DBED N#Cc1cnccc1N1CCO[C@@H](CNC(=O)c2cnn[nH]2)C1 1063673926 ZNAAIGUVZCICHO-NSHDSACASA-N 313.321 -0.293 30 20 DBED N#Cc1cnc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)[C@@H]2[C@H]3COC[C@H]32)cn1 1064322038 ABDNANLKGZEVIV-SOBMSCLTSA-N 311.345 -0.066 30 20 DBED Cc1cc(C#N)nc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)c2cnn[nH]2)n1 1064359984 UDSMXKUZPBCOOZ-JFUSQASVSA-N 310.321 -0.218 30 20 DBED Cc1cc(C#N)nc(N2CC[C@@]3(CCN(C(=O)C(N)=O)C3)C2)n1 1064640881 WCKCGNLJHAFHJQ-OAHLLOKOSA-N 314.349 -0.429 30 20 DBED N#Cc1nc(=NC[C@@H]2CCCN2C(=O)[C@H]2CCC(=O)N2)cc[nH]1 1064873755 RAJINPSDASGQRV-WDEREUQCSA-N 314.349 -0.548 30 20 DBED COCC(=O)NC[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)CCO1 1065053325 JNRLTIBMJAQVLT-NSHDSACASA-N 306.322 -0.510 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)[C@]2(C)CCC(=O)N2)CCO1 1065589041 PPSSRXIMHAZSLD-LRDDRELGSA-N 323.393 -0.035 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CCCN(C(=O)[C@H](C)OC)CC1 1066069685 UKRNASIEJHVLEX-STQMWFEESA-N 323.393 -0.342 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)CCCN(C)C(=O)c1nc[nH]n1 1067426952 CHFFMUZQGALUHC-NSHDSACASA-N 307.354 -0.237 30 20 DBED C[C@@H]1C[C@H](CN=c2cc[nH]c(C#N)n2)CN1C(=O)CC(N)=O 1068303815 UHQSIWSMIOLDOF-NXEZZACHSA-N 302.338 -0.706 30 20 DBED C=CCCC(=O)N1CC2(C[C@@H](NC(=O)CNC(N)=O)CO2)C1 1068689666 DBMGWKZBFIRZKI-SNVBAGLBSA-N 310.354 -0.893 30 20 DBED C#CCOCCC(=O)N[C@@H]1COC2(C1)CN(C(=O)[C@H](C)C#N)C2 1068868377 NGFVZRFHVYKZSK-OLZOCXBDSA-N 319.361 -0.328 30 20 DBED C#CCN1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2COC(=O)N2)C1 1070407960 KNUDTMVRRVWLPJ-CMPLNLGQSA-N 317.349 -0.443 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)c4cnnn4CC)C[C@@]3(C1)O2 1070796344 CPGKJXMCUOUHDX-XJKCOSOUSA-N 315.377 -0.154 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)c2ccncc2)CC1 1070932466 PYLBWSSUXQJZNP-UHFFFAOYSA-N 300.362 -0.021 30 20 DBED CC#CCN1CCNC(=O)CCN(C(=O)[C@H]2COCCO2)CC1 1070942179 RMNLINGOMVKJAF-CQSZACIVSA-N 323.393 -0.924 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)c2nonc2C)CC1 1071025333 BDKVRRFBHMNWIP-UHFFFAOYSA-N 305.338 -0.725 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC(C)(NC(=O)CC(=O)NC)CC1 1073027870 UPHIXVBVKAHVRP-GFCCVEGCSA-N 323.393 -0.342 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2CN(CCO)CCCO2)cn1 1073865457 JATLCHLHGSGHNJ-OAHLLOKOSA-N 303.362 -0.124 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)Cc3nnc(C)o3)C[C@@H]21 1074232802 GBOXCLSGLSVGMM-STQMWFEESA-N 304.350 -0.145 30 20 DBED C#CCOCCC(=O)N[C@H]1CCN(C(=O)CC(N)=O)[C@H](C)C1 1074990337 FBOOQXPIODJEFN-NEPJUHHUSA-N 309.366 -0.603 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)c2c(C)nn(C)c2OC)C1 1077766571 LVJIXWMOYSTVDI-VXGBXAGGSA-N 306.366 -0.465 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2cnc(C3CC3)nc2O)C1 1077792597 QIXAIVKGGNPPOR-VXGBXAGGSA-N 302.334 -0.532 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN2C(=O)C2CC2)C1 1077792723 YHBXNPGWQHWDHD-FRRDWIJNSA-N 306.366 -0.928 30 20 DBED Cc1nn(CC(=O)NCC[C@H](C)NC(=O)[C@@H](C)C#N)c(=O)n1C 1077814494 LNQGTKITXABXDR-UWVGGRQHSA-N 322.369 -0.939 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3nn[nH]c3C2)C1 1077998452 XTENUGIBQAATGE-ZLKJLUDKSA-N 305.382 -0.353 30 20 DBED C#CCOCCC(=O)N1CCC[C@H](N(C)C(=O)CC(N)=O)CC1 1078896567 OXQBPTMUHFPWMX-ZDUSSCGKSA-N 323.393 -0.259 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N(CC)C(=O)CNC(C)=O)C1 1079229892 GSVIRZUVIMWANT-KGLIPLIRSA-N 323.393 -0.227 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2conc2C)C[C@H]1O 1081344477 QNGCSAYLJMXDDT-DGCLKSJQSA-N 323.349 -0.265 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cnnn2C)C1 1081443828 DFDSHECPAWHUMZ-WCQYABFASA-N 319.365 -0.976 30 20 DBED CC#CCN1C[C@@H](NC(=O)CC2CS(=O)(=O)C2)[C@H](OC)C1 1081872111 RRPAKBHTCPWERH-CHWSQXEVSA-N 314.407 -0.740 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@H]2CCN(C(=O)CC)C2)[C@H](OC)C1 1082308731 BHVPMONWJFCZLT-BFHYXJOUSA-N 307.394 -0.307 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cccc2ncnn12 1083132876 RSPLMSQANXRBEC-UONOGXRCSA-N 311.345 -0.112 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)Cn2cnc3c2CCCC3)C1 1083647514 GVMLVLHTMWQYAW-ZBFHGGJFSA-N 316.405 -0.054 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCCCN2C(N)=O)C1 1083939793 WFWNDPFNGVXSEW-AGIUHOORSA-N 310.398 -0.343 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CCN(CCN3CCNC3=O)C[C@H]2C1 1087911761 JFTXDOKARNDOQC-MCIONIFRSA-N 319.409 -0.048 30 20 DBED C[C@@H](C[C@H](C)NC(=O)c1nc[nH]n1)N=c1cc[nH]c(C#N)n1 1089374834 MRCBYLMCRRFNJW-IUCAKERBSA-N 300.326 -0.103 30 20 DBED CCO[C@H](CC)C(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1O 1090378061 QYFRWTNAOPDDOL-JHJVBQTASA-N 319.365 -0.171 30 20 DBED Cc1cc(C#N)nc(N2C[C@@H](O)[C@H](NC(=O)[C@H](O)C(C)C)C2)n1 1090408493 SLAAXBVOQSRFPY-JHJVBQTASA-N 319.365 -0.661 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2ccc(C(N)=O)o2)[C@H](O)C1 1090415501 ATTYPELKXUDJQY-GHMZBOCLSA-N 305.334 -0.433 30 20 DBED Cc1cc(=O)oc(C)c1C(=O)N[C@@H]1CCN(CC#N)C[C@H]1O 1090416219 FXKMCYQCABZDBX-VXGBXAGGSA-N 305.334 -0.055 30 20 DBED C#CCN1CC[C@H](NC(=O)c2ccoc2CC(N)=O)[C@H](O)C1 1090523487 RBBCUBVUXBWQIU-NWDGAFQWSA-N 305.334 -0.894 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCN(CCCO)C[C@@H]2O)nn1 1090633090 LRFPTTBUTMOZAB-AAEUAGOBSA-N 309.370 -0.989 30 20 DBED CN(C)CCCC(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@@H]1O 1091175779 RRZBDYKSEXXSQV-CABCVRRESA-N 317.393 -0.039 30 20 DBED N#Cc1nc(=N[C@H]2C[C@H](CNC(=O)CCNC(N)=O)C2)cc[nH]1 1091457668 QHTDPGXDFCRSEN-MGCOHNPYSA-N 317.353 -0.865 30 20 DBED N#Cc1nccnc1NCCNC(=O)C1CCN(C(N)=O)CC1 1093629578 ZHTCBBSOVFZXAY-UHFFFAOYSA-N 317.353 -0.333 30 20 DBED N#Cc1nccnc1NCCNC(=O)CCN1C(=O)CCC1=O 1093975905 ICNWJPYMZWREMY-UHFFFAOYSA-N 316.321 -0.585 30 20 DBED CC(C)N1CCO[C@H](C(=O)NCCNc2cnc(C#N)cn2)C1 1094083101 QYVSHBPPXQEBCW-ZDUSSCGKSA-N 318.381 -0.014 30 20 DBED COCC(=O)N[C@H](C)C(=O)NCCN=c1cc[nH]cc1C#N 1094184909 APHYHQKMCPILCN-SNVBAGLBSA-N 305.338 -0.946 30 20 DBED CC#CCN1CC(n2cc(CNC(=O)c3ccncn3)nn2)C1 1094327641 JUOKBBDXIXVCNR-UHFFFAOYSA-N 311.349 -0.122 30 20 DBED N#CCN1CCN(C(=O)c2cnco2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094650657 YYKJEUVBFXLBKW-VHSXEESVSA-N 310.335 -0.878 30 20 DBED Cc1nc(C)c(C(=O)N[C@H]2CC(=O)N(C3CN(CC#N)C3)C2)o1 1094716117 VYBVXPFGWGECJG-NSHDSACASA-N 317.349 -0.170 30 20 DBED CN(c1cncc(C#N)n1)[C@@H]1CCN(C(=O)CNC(N)=O)C1 1095091191 DVMNLEHIALOQRT-SNVBAGLBSA-N 303.326 -0.946 30 20 DBED CN(CCCNC(=O)[C@@H]1CC[C@H]1C(N)=O)c1cnc(C#N)cn1 1095697091 WKIANECSQSAXFM-VXGBXAGGSA-N 316.365 -0.198 30 20 DBED CCN(CCCNC(=O)CCNC(N)=O)c1ccc(C#N)nn1 1095881675 MMFDXSCIWIYSJZ-UHFFFAOYSA-N 319.369 -0.261 30 20 DBED COCC(=O)NCCN1CCN(c2ccnc(C#N)n2)CC1 1096266075 CTYWLZYKBSCKOJ-UHFFFAOYSA-N 304.354 -0.767 30 20 DBED N#CCSCC(=O)N[C@H]1C[C@H](Nc2ccc3nnnn3n2)C1 1096992926 JEVVVIQPOCDWCE-KYZUINATSA-N 318.366 -0.165 30 20 DBED CS(=O)(=O)CCC(=O)N[C@H]1C[C@H](N=c2cc[nH]c(C#N)n2)C1 1097112991 CBSVKWQEMWKSPF-MGCOHNPYSA-N 323.378 -0.736 30 20 DBED Cc1cc(C#N)nc(N[C@@H](C)CNC(=O)[C@@H]2COCCO2)n1 1097676931 WGEVWQIBBYSBME-JQWIXIFHSA-N 305.338 -0.011 30 20 DBED CCn1nnc(C)c1C(=O)NC[C@@H](C)N=c1cc[nH]c(C#N)n1 1098097816 MQHPPWQQGXMNDY-SECBINFHSA-N 314.353 -0.080 30 20 DBED C[C@H](CNC(=O)[C@@H]1CCC(=O)NC1)Nc1ccc(C#N)nn1 1098397650 RJGDPIYHWZAOMT-NXEZZACHSA-N 302.338 -0.209 30 20 DBED C[C@@H](CCNC(=O)[C@H]1CN(C)C(=O)N1)Nc1cnc(C#N)cn1 1099617905 ZTMXIOCUXKOMST-GXSJLCMTSA-N 317.353 -0.321 30 20 DBED C[C@@H](CCNC(=O)[C@]1(C)CCC(=O)N1)N=c1cc[nH]c(C#N)n1 1099671920 CGAFLNDIALWLJN-BONVTDFDSA-N 316.365 -0.254 30 20 DBED CN(CCNC(=O)CSCC#N)c1ccc2nnnn2n1 1099937302 KRGDGPCGYJWNSR-UHFFFAOYSA-N 306.355 -0.672 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)c2cn(C)c(O)n2)[C@@H](O)C1 1099994211 MQSUBFPUOGKHPG-AAEUAGOBSA-N 324.381 -0.507 30 20 DBED CC#CCN1CC[C@H](NC(=O)CNC(=O)C(C)(C)C)[C@H](O)C1 1100108195 RVWLMRDOVWVOMB-QWHCGFSZSA-N 309.410 -0.277 30 20 DBED CCN1CCOC[C@H]1C(=O)NCCN(C)c1ccnc(C#N)n1 1100219693 JUZPXBINEYCHLL-LBPRGKRZSA-N 318.381 -0.379 30 20 DBED CCc1cc(C(=O)NCC2CC(NCC(=O)NCC#N)C2)no1 1100884184 NFIJMHIIBRVEME-UHFFFAOYSA-N 319.365 -0.025 30 20 DBED CN(CCNc1ccc(C#N)nn1)C(=O)c1cn(C)c(O)n1 1101939860 IYPQLVWYQKGSIE-UHFFFAOYSA-N 301.310 -0.029 30 20 DBED CC(=O)NCC(=O)N1C[C@@H]2CC[C@H](C1)N2c1nccnc1C#N 1102182947 WMOCTVADJBQPEG-TXEJJXNPSA-N 314.349 -0.336 30 20 DBED CN(C[C@@H]1CCN(C(=O)CNC(N)=O)C1)c1cnc(C#N)cn1 1102428211 UYPKGDANXNTEPW-JTQLQIEISA-N 317.353 -0.699 30 20 DBED COCC[C@@H](C)C(=O)NC[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1102587504 REBVYSKVNSXXCT-MGPQQGTHSA-N 324.425 -0.017 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)CCc1nc[nH]n1 1103949763 XBDXTJIJHGNSRV-JTQLQIEISA-N 314.353 -0.315 30 20 DBED COCCCOCC(=O)NC[C@H](C)CN=c1cc[nH]c(C#N)n1 1104074569 BVHDCCLKUAIHRU-GFCCVEGCSA-N 321.381 -0.013 30 20 DBED C#CCNC(=O)CC(=O)N(C)[C@H](C)CNc1nccc(OC)n1 1104529561 IUZTXGBKWUKXQU-LLVKDONJSA-N 319.365 -0.117 30 20 DBED C[C@H](CNc1nccnc1C#N)N(C)C(=O)[C@@H]1CN(C)CCO1 1104538619 PGCHWHSDNMBUPV-YPMHNXCESA-N 318.381 -0.062 30 20 DBED C[C@@H](CNc1ccc(C#N)nn1)N(C)C(=O)[C@@H]1CCNC1=O 1104765200 YCBZHKLHYJTRSF-GXSJLCMTSA-N 302.338 -0.257 30 20 DBED CC(=O)N(C)CC(=O)N(C)CCN(C)c1ccnc(C#N)n1 1105329717 SOJZSIQCSGETTQ-UHFFFAOYSA-N 304.354 -0.279 30 20 DBED CN(CCN(C)c1nccnc1C#N)C(=O)c1c[nH]c(=O)cn1 1105531758 JUATUSVHEOXJKY-UHFFFAOYSA-N 313.321 -0.360 30 20 DBED CC(C)[C@H]1N(C(=O)CNC(N)=O)C[C@]12C[C@@H](O)[C@H](NCC#N)C2 1105594012 KGRDYEXVRACIAI-CVMIBZJCSA-N 323.397 -0.856 30 20 DBED N#Cc1nc(=NC[C@H](O)CNC(=O)/C=C\c2ccco2)cc[nH]1 1105712379 ZZDCNJGIHUOAQG-BYCRGOAPSA-N 313.317 -0.034 30 20 DBED CCNC(=O)CCC(=O)NC[C@H](O)CNc1ccc(C#N)nc1 1105746433 HTALBWJFPSXMJC-CYBMUJFWSA-N 319.365 -0.241 30 20 DBED COC1CC(C(=O)NC[C@H](O)CNc2cncc(C#N)n2)C1 1105997524 UNKORZSLBZFCML-CKBZRRDASA-N 305.338 -0.338 30 20 DBED C#CCNC[C@@H]1CN(C(=O)CCn2ncn(C)c2=O)C[C@H]1C 1106469663 CMHIRGJFSAGXKO-CHWSQXEVSA-N 305.382 -0.711 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)C[C@H]1C 1106604401 PXKQIIXTGVMJLQ-UPJWGTAASA-N 308.382 -0.998 30 20 DBED C#CCNC[C@@H]1CN(C(=O)C(=O)NCC(F)(F)F)C[C@H]1C 1106813078 LYBIUQORLJNSTQ-NXEZZACHSA-N 305.300 -0.018 30 20 DBED COC[C@@H](C)N1CC(n2cc(CNC(=O)[C@@H](C)C#N)nn2)C1 1107149327 BGPFTJXZQIXVFI-WDEREUQCSA-N 306.370 -0.054 30 20 DBED C=C(C)C(C)(C)C(=O)NCc1cn(C2CN(CC(N)=O)C2)nn1 1107192541 PQSJHTJSDSUCMO-UHFFFAOYSA-N 320.397 -0.161 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](C)NC(=O)[C@H]2CNC(=O)N2)n1 1108075663 FVZYQHDDBAQOTL-PSASIEDQSA-N 303.326 -0.745 30 20 DBED C=CCN1CCO[C@](C)(CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 1108210775 GDWVAKYYPJRXCD-YWPYICTPSA-N 311.382 -0.588 30 20 DBED Cn1cccc(C(=O)NC[C@@]2(C)CN(CC#N)CCO2)c1=O 1108349735 NFWPKECLJCTNSU-HNNXBMFYSA-N 304.350 -0.270 30 20 DBED COC[C@@H](C)C(=O)N1CCN(CC#N)[C@H]2CS(=O)(=O)C[C@H]21 1108465469 QIOGSICBYMUKGA-GRYCIOLGSA-N 315.395 -0.898 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)CCCCC(N)=O)CC2=O)C1 1108584254 CPRIPZBUBUEZSO-LBPRGKRZSA-N 320.393 -0.933 30 20 DBED Cc1cc(=NC[C@H](C)NC(=O)c2nnn(C)n2)c(C#N)c[nH]1 1108642078 NTKNNKYRDUONSU-VIFPVBQESA-N 300.326 -0.563 30 20 DBED C[C@@H](CN(C)c1cncc(C#N)n1)NC(=O)[C@H]1CCNC1=O 1109206883 YTLUJPNZBKYJTQ-ONGXEEELSA-N 302.338 -0.575 30 20 DBED CNC(=O)NCC(=O)N[C@H]1[C@H]2C[C@H]1N(c1ccc(C#N)nc1)C2 1109743091 JHHRISLDBYIYPR-BHYNMZESSA-N 314.349 -0.424 30 20 DBED C=CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CNS(=O)(=O)N(C)C 1109771234 SFPFFQUFBMWDIU-WOPDTQHZSA-N 316.427 -0.710 30 20 DBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cc1cnc[nH]1 1111066042 KJVOKACOHYWWLP-UPJWGTAASA-N 316.365 -0.687 30 20 DBED CCO[C@H](C)C(=O)N(C)[C@H]1CN(c2nccnc2C#N)C[C@@H]1O 1111174669 UACXPDRBSBHHTA-WXHSDQCUSA-N 319.365 -0.219 30 20 DBED N#Cc1ccc(NCCN(CCO)C(=O)c2cnn[nH]2)nn1 1111585694 IBEMXUPKTNAMJO-UHFFFAOYSA-N 302.298 -0.987 30 20 DBED N#Cc1cnc(NC2(CNC(=O)[C@H]3C[C@H]3C(N)=O)CCC2)cn1 1111904155 MHDYMOSOAGWUGG-MNOVXSKESA-N 314.349 -0.080 30 20 DBED CC(=O)N1CC(C(=O)N[C@@H](C)[C@H](C)N=c2cc[nH]c(C#N)n2)C1 1113018177 DEKWUAUSGFKWCA-UWVGGRQHSA-N 316.365 -0.446 30 20 DBED C[C@H](CNC(=O)CNC(=O)C1CC1)N(C)c1ccc(C#N)nn1 1113504810 FUKZWSYXLHGLEL-SNVBAGLBSA-N 316.365 -0.185 30 20 DBED C[C@H](CNC(=O)[C@@H]1CCNC1=O)N(C)c1ccc(C#N)nn1 1113802522 OOBMSBIPUMGHQA-MWLCHTKSSA-N 302.338 -0.575 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)c3cnsn3)[C@H]2C1 1113925851 STMAEHZZPIKZEY-GUBZILKMSA-N 321.406 -0.111 30 20 DBED Cc1cc(C(=O)N[C@H]2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]32)ns1 1114188539 FVVHQFBGAGEXHG-IWIIMEHWSA-N 319.390 -0.249 30 20 DBED C#CCCN1C[C@H]2C(NC(=O)CNC(=O)c3ccncc3)[C@@H]2C1 1114312987 BBDRQKGQXRBFGU-ZIAGYGMSSA-N 312.373 -0.119 30 20 DBED C=CCNC(=O)NC(=O)CN1C[C@H]2C(NC(=O)[C@@H]3C[C@H]3C)[C@@H]2C1 1114677620 FIAPYFMSCUKWOC-DDHJBXDOSA-N 320.393 -0.299 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)c3n[nH]cc3F)[C@H]2C1 1114787694 XIRKBGJEFPGXLD-IUCAKERBSA-N 307.329 -0.489 30 20 DBED Cn1cc(CC(=O)NC[C@H](CO)Nc2cnc(C#N)cn2)cn1 1121189953 GHLQWCLTBQAABD-GFCCVEGCSA-N 315.337 -0.787 30 20 DBED Cc1ccc(CC(=O)NC[C@@H](CO)N=c2cc[nH]c(C#N)n2)o1 1121316811 BCVDBWOYOREJBP-NSHDSACASA-N 315.333 -0.197 30 20 DBED Cc1nccn1CC(=O)NC[C@H](CO)Nc1nccnc1C#N 1121598075 CJZULTBGTBXUFL-LLVKDONJSA-N 315.337 -0.558 30 20 DBED Cc1nccc(C(=O)NC[C@@H](CO)Nc2ccc(C#N)nn2)n1 1121659801 STBSTVCAANUZJV-NSHDSACASA-N 313.321 -0.351 30 20 DBED COc1ccc(C(=O)NC[C@@H](CO)N=c2cc[nH]c(C#N)n2)o1 1121914873 SXNWWAGJWVLHPA-VIFPVBQESA-N 317.305 -0.425 30 20 DBED N#Cc1cnc(N[C@@H](CO)CNC(=O)Cc2nc[nH]n2)c(F)c1 1121994530 QTBNNBMHXDRKQL-SECBINFHSA-N 319.300 -0.658 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H](CO)Nc1cnc(C#N)cn1 1122034602 BSNPKRXQPMJSFV-ZYHUDNBSSA-N 303.322 -0.724 30 20 DBED CN(C[C@H](O)CNc1cncc(C#N)n1)C(=O)c1cncnc1 1124329269 ILTHAJFZVDGPSS-GFCCVEGCSA-N 313.321 -0.317 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]cc1C#N)C(=O)Cc1cnc[nH]1 1124786526 NNCYAOIYWZGQSP-ZDUSSCGKSA-N 314.349 -0.428 30 20 DBED CO[C@H](C)C(=O)N(C)C[C@@H](O)CN(C)c1nccnc1C#N 1124956978 GPQQCLJOCJVKRW-MNOVXSKESA-N 307.354 -0.361 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)CO[C@H]2CCOC2)C1 1129004712 VQHNOCDEJUWOLV-MJBXVCDLSA-N 321.381 -0.389 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1ccnc2ccnn12 1129240231 LKFGTCBOMRQYAI-UHFFFAOYSA-N 302.338 -0.649 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2cc[nH]n2)CC[C@H]1C 1131813968 SLSWQZBNYWUAIT-NEPJUHHUSA-N 303.366 -0.258 30 20 DBED COCCC(=O)N1CC[C@@H](C)[C@H](CNCC(=O)NCC#N)C1 1132581461 ABVBHWPIPVFRDX-CHWSQXEVSA-N 310.398 -0.263 30 20 DBED CC(C)c1ccc(C(=O)NCCNCC(=O)NCC#N)c(O)n1 1134851395 ZBWDKUHTMFGQEU-UHFFFAOYSA-N 319.365 -0.130 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@H]1CCC[C@@H]2CCCN21 1135095656 MYEUARJKBYBGLE-ZIAGYGMSSA-N 306.410 -0.542 30 20 DBED CCC[C@@H]1C[C@H](C(=O)NCCNCC(=O)NCC#N)CCO1 1135850537 QDGKGYMFTZDZTM-CHWSQXEVSA-N 310.398 -0.073 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)[C@@]2(CC)CCNC2=O)C1 1149875429 QUDYVKJQSXJSFO-CJNGLKHVSA-N 307.394 -0.257 30 20 DBED N#CCN1CCCO[C@H](CNC(=O)CC(=O)NCC2CC2)C1 1150571467 IGLCJDADRUTQTN-CYBMUJFWSA-N 308.382 -0.367 30 20 DBED C#CCN1CCC(C(=O)NCCN[C@@H]2CCCN(C)C2=O)CC1 1152323713 CCOONPYTJXYGFK-OAHLLOKOSA-N 320.437 -0.342 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)CCn1ccnc1 1154528901 PIBWLDDXCVJTHI-CQSZACIVSA-N 319.409 -0.151 30 20 DBED C=CCNC(=O)NC(=O)CNCCCNC(=O)[C@@H]1CCOC1 1155439757 OVOXCZWWZXHFBY-LLVKDONJSA-N 312.370 -0.869 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@H]1CC(=O)N[C@H](CC)C1 1163079655 HCECYDKYJXASGP-CHWSQXEVSA-N 322.409 -0.864 30 20 DBED C#CCNC(=O)CNCC1(CCNC(=O)CC(=O)NCC)CC1 1164183204 WLOMFPQGCJUJHK-UHFFFAOYSA-N 322.409 -0.862 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NCCCNCc1nc(O)n[nH]1 1167683618 CGVAELDHMAITDA-NSHDSACASA-N 324.385 -0.423 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)C12CCN(CC1)C2 1171303398 IUJQUCQHPVCDIR-CYBMUJFWSA-N 308.426 -0.131 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)c1ccc(O)nc1 1175164522 IGCXOBNHBABMST-NSHDSACASA-N 304.350 -0.365 30 20 DBED C[C@@H]1CN(C(=O)CN2CCOCC2=O)C[C@@]1(C)CNCC#N 1181745584 IDIISTONXDJQLE-IUODEOHRSA-N 308.382 -0.557 30 20 DBED C#CCNC[C@]1(C)CN(C(=O)CN2CC(=O)NC2=O)C[C@H]1C 1182917589 REZQOHVTONOXNN-IAQYHMDHSA-N 306.366 -0.754 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CN(CC(=O)NCC=C)C[C@H]21 1187882556 QXQYNNZTHNJJNV-SOUVJXGZSA-N 319.405 -0.140 30 20 DBED C=C(C)CCN[C@@H]1CCN(C(=O)CNC(=O)Cn2cncn2)C1 1188099088 FQDFGHKPTXFBCZ-CYBMUJFWSA-N 320.397 -0.449 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)[C@@]3(F)CCOC3)[C@@H]2C1 1188925888 HOPFSGNIAULIKS-WOSRLPQWSA-N 323.368 -0.603 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3ccncn3)[C@@H]2C1 1189461652 BUCVYWLVLZJOGH-GXTWGEPZSA-N 313.361 -0.628 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CN(Cc2cc3n(n2)CCC3)C[C@H]1O 1191873459 WNSANMHEFVIXGS-LERXQTSPSA-N 303.366 -0.350 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2cscc2C)C1 1192045425 AXPSDACZCVAJRN-CHWSQXEVSA-N 321.402 -0.419 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CN(Cc2ccc(C#N)s2)C[C@H]1O 1192429162 FABOIPSSPIGWBV-VXGBXAGGSA-N 322.390 -0.583 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(Cc2nccc(C)n2)C[C@H]1O 1192524797 LYOKFVZHPOSQTI-XJKCOSOUSA-N 320.393 -0.227 30 20 DBED COCC#CCN(C)[C@@H]1CCN(C(=O)C[C@H]2CCC(=O)N2)C1 1192800122 AZHMFEBETQIMOO-ZIAGYGMSSA-N 307.394 -0.162 30 20 DBED C#CCCN(C)[C@H]1CCN(C(=O)[C@H](CCC(N)=O)NC(C)=O)C1 1192889075 QPGZUGBAPAXNGU-KBPBESRZSA-N 322.409 -0.687 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)C(=O)Nc2ccc(OC)cc2)C1 1194492786 IOXOZISTFRTODH-ZIAGYGMSSA-N 319.361 -0.019 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C2(CCF)CC2)C1 1194909636 SZIWAIGMZRFNMU-VXGBXAGGSA-N 311.357 -0.963 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2cocc2C)C1 1195307109 OBLXUARQWGDJKV-CHWSQXEVSA-N 307.350 -0.335 30 20 DBED C=C[C@](C)(CC)C(=O)N[C@@H]1CN(Cc2nc(O)n[nH]2)C[C@H]1O 1195923928 PQTKUEGYQHJGPC-GPCCPHFNSA-N 309.370 -0.226 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)CNC(=O)CC2CCCC2)C1 1196912256 ZLIAEJBISFSRGQ-CHWSQXEVSA-N 308.382 -0.632 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)c2cc(CC)nn2C)C1 1197131825 WMWIWXOQBIUDIZ-UKRRQHHQSA-N 322.409 -0.040 30 20 DBED C=CCCCN1C[C@@H](O)[C@H](NC(=O)c2cc(C(N)=O)c[nH]2)C1 1197197370 DXCDVJWQDOSWMM-CHWSQXEVSA-N 306.366 -0.145 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)C2(C(=O)N(C)C(C)C)CC2)C1 1197327354 VCWKOGCLTUVGJI-ZIAGYGMSSA-N 321.421 -0.182 30 20 DBED C=CCCC(=O)N1CCCO[C@@H](CNCC(=O)NCC#N)C1 1200074959 SOJJSYIKSCKIBQ-ZDUSSCGKSA-N 308.382 -0.201 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)[C@]2(F)CCOC2)CC1 1202172433 VQHLLJMDPNRKNL-HNNXBMFYSA-N 311.357 -0.555 30 20 DBED C=CCOCCN[C@@H]1C[C@H](NC(=O)CNC(N)=O)C12CCC2 1202431126 ZLSXSECQVJPHPR-NEPJUHHUSA-N 310.398 -0.126 30 20 DBED CC#CCN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)CN1CC(=O)NC1=O)C2 1204798897 MLHGAAJWXAUBRL-JHJVBQTASA-N 318.377 -0.469 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)COCC=C)[C@H](C)C1 1206578825 FAKOIMSLPCEJFB-HZSPNIEDSA-N 307.394 -0.237 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)CC(=O)NCC)[C@H](C)C1 1206892755 GLWBQJLEUJGATJ-VXGBXAGGSA-N 310.398 -0.749 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(CCNC(=O)C2CC2)C[C@H]1C 1206965326 XXTRRWKXYJAGDX-UMVBOHGHSA-N 321.421 -0.013 30 20 DBED C#CCOCCC(=O)N1CCC[C@H](NCC(=O)N2CCC2)C1 1208031665 BFZFKQNSGHECJD-AWEZNQCLSA-N 307.394 -0.161 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CCCN(C(=O)CC(=O)N(C)C)C1 1210029722 REFKZXRQYFPLCP-QWHCGFSZSA-N 324.425 -0.264 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)C[C@@H]2CCN(C)C2)C[C@H]1C 1216383951 SZLAKIJVJALLPL-QLFBSQMISA-N 320.437 -0.486 30 20 DBED N#CCSCC(=O)N[C@@H]1CN(CC2CCOCC2)C[C@@H]1O 1219218758 WQDGCQQTMBXKMG-OLZOCXBDSA-N 313.423 -0.169 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CN(Cc2ncc(Cl)n2C)C[C@@H]1O 1219379803 ZGXBYXLINQDLJO-BBBLOLIVSA-N 311.773 -0.106 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)c2cc(C)ncn2)C1 1219469453 PILPUTIIKPTQNX-KGLIPLIRSA-N 306.366 -0.237 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(CCOCC(F)F)C[C@@H]1O 1219609141 DFVYOQTWUFFNQE-NEPJUHHUSA-N 320.336 -0.531 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(CCOC(C)C)C[C@@H]1O 1219821500 NWCYXZHGCSNPBG-PMPSAXMXSA-N 323.437 -0.330 30 20 DBED C=C[C@@H](CC)CC(=O)N[C@@H]1CN(Cc2nnn(C)n2)C[C@@H]1O 1220203854 RYQAPEYIKODTAT-TUAOUCFPSA-N 308.386 -0.526 30 20 DBED CO[C@@H](Cc1ccccc1)C(=O)N[C@@H]1CN(CC#N)C[C@@H]1O 1221017188 VILYUYQSFGRLCN-ILXRZTDVSA-N 303.362 -0.071 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)N[C@@H]1CN(CC=C)C[C@@H]1O 1221079049 FNTSQSVUIZVDHZ-NEPJUHHUSA-N 310.398 -0.403 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)CCCC(N)=O)C1 1222117702 OUSJGJCRDPGFTN-CHWSQXEVSA-N 324.425 -0.087 30 20 DBED C[C@H](C#N)C(=O)NCC1CCN([C@@H]2CCC(=O)NC2=O)CC1 1222641091 HBOJJYUFHUWVAP-ZYHUDNBSSA-N 306.366 -0.221 30 20 DBED N#CCN1CCC(CNC(=O)CCc2nnc(O)nc2O)CC1 1223719981 ONZRAOSRIAJGKP-UHFFFAOYSA-N 320.353 -0.433 30 20 DBED COCC#CCN1CCC(CNC(=O)[C@]2(C)CCNC2=O)CC1 1224535003 BVGXHFQKRXNRTC-QGZVFWFLSA-N 321.421 -0.009 30 20 DBED C#CCNC(=O)CC(=O)N(C)C[C@H]1CCN1Cc1nccn1C 1233808973 GNQLYUWTJJEUKP-CYBMUJFWSA-N 317.393 -0.408 30 20 DBED CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)C(=O)N1CCO[C@H](C#N)C1 1261087386 OEMQEYZGFKGCNS-KXNHARMFSA-N 307.350 -0.333 30 20 DBED CN(Cc1nnc2c(=O)[nH]ccn12)C(=O)c1ccc(C#N)cn1 1303174747 VVRZVPKUYKHKLB-UHFFFAOYSA-N 309.289 -0.044 30 20 DBED Cc1noc(C)c1C(=O)N[C@H]1CCN(CC(=O)NCC#N)C1 1318231563 PJDDEZIARCMTDE-NSHDSACASA-N 305.338 -0.265 30 20 DBED C=CCN1CCC(NC(=O)C(=O)N[C@H]2CCN(C)C2=O)CC1 1322802599 NBTKWZPUYHGUBO-LBPRGKRZSA-N 308.382 -0.900 30 20 DBED C#CCCCCNC(=O)C(=O)N1CCN(S(C)(=O)=O)CC1 1323196651 IYVVTRQUNCOOSA-UHFFFAOYSA-N 315.395 -0.990 30 20 DBED O=C(CCN/C(O)=C1\N=CC=CC1=O)NC[C@@H]1C[C@H](F)CN1 1326373678 ZJNAVGWTWSFSAS-JIGCKJTDSA-N 310.329 -0.281 30 20 DBED O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)NC1CCCC1 1327273165 UTGSMLKQSBYODI-SEYXRHQNSA-N 320.349 -0.312 30 20 DBED N#Cc1cccc(NC(=O)C(=O)N2CCC(OCCO)CC2)n1 1329299601 KPPSCNNKODKVRN-UHFFFAOYSA-N 318.333 -0.108 30 20 DBED C=CCn1c([C@H](O)COC)nnc1N1CCN(C(=O)NC)CC1 1339144857 FHQYJXRJFHDTDZ-LLVKDONJSA-N 324.385 -0.395 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H]2CCCCCN2)C1=O 1342206464 RSAFWFIKVWHWEW-LLVKDONJSA-N 322.365 -0.388 30 20 DBED C=CCSCCNC(=O)C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 1345463637 PUOPVRAPDUWLPK-SNVBAGLBSA-N 311.407 -0.099 30 20 DBED N#Cc1ccc(S(=O)(=O)N2CCC3(CC2)NC(=O)NC3=O)o1 1346155920 HSFYVXKPDUCVFF-UHFFFAOYSA-N 324.318 -0.486 30 20 DBED C=CCCOCCNC(=O)C(=O)N1CCC[C@H]1C(=O)NC1CC1 1346904716 KHLGEKJKIGEARR-ZDUSSCGKSA-N 323.393 -0.035 30 20 DBED N#CC1CCN(C(=O)C(=O)N2CCN([C@@H]3CCOC3)CC2)CC1 1350202508 SITYOKCHJUNTTI-CQSZACIVSA-N 320.393 -0.318 30 20 DBED C[C@@H](C#N)N(C)C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C 1361476365 WFORDVIUWUXIDW-QMMMGPOBSA-N 301.306 -0.384 30 20 DBED CO[C@]1(C(=O)Nc2ccn(CCC#N)n2)CCS(=O)(=O)C1 1361502727 PZCBKBRKZRNERA-GFCCVEGCSA-N 312.351 -0.061 30 20 DBED N#Cc1cnn2c(O)cc(CN3[C@H](CO)CC[C@H]3CO)nc12 1363265674 YPXPSABRXPQWIE-RYUDHWBXSA-N 303.322 -0.376 30 20 DBED CN(C[C@@H]1CCCN1C)C(=O)Cn1cc(C#N)c(O)nc1=O 1363421862 SBGOXHOIXPRKPO-NSHDSACASA-N 305.338 -0.627 30 20 DBED Cn1c(N[C@H](CO)C[C@H]2CCCO2)c(C#N)c(=O)n(C)c1=O 1364253863 UQYTWFCHOYIYAW-VHSXEESVSA-N 308.338 -0.702 30 20 DBED N#Cc1ccnc(CN2CCC[C@H](CNS(N)(=O)=O)C2)c1 1364320877 HLRDYBKAHQRGHB-GFCCVEGCSA-N 309.395 -0.042 30 20 DBED CC1CC(C#N)(C(=O)N(C)Cc2nnc3n2CCNC3=O)C1 1364826463 SKPKKNDAXIYJBL-UHFFFAOYSA-N 302.338 -0.080 30 20 DBED CCc1ocnc1C(=O)N(C)C[C@H](O)CNC(=O)[C@H](C)C#N 1370974686 RPAJDEZCNZFTMB-NXEZZACHSA-N 308.338 -0.054 30 20 DBED CNC(=O)NCCC(=O)N1CCC[C@@H]1CN(C)C(=O)[C@@H](C)C#N 1380226975 GVXXPTFTIPUMQW-NWDGAFQWSA-N 323.397 -0.085 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]1CN(C)C(=O)CCS(C)(=O)=O 1384896817 SJLCVNNMGYFIMJ-QWRGUYRKSA-N 315.395 -0.360 30 20 DBED COCC(=O)NCCC(=O)N[C@]1(C)CCN(C(=O)[C@H](C)C#N)C1 1394283110 JIURRCPZQBJQHM-IAQYHMDHSA-N 324.381 -0.594 30 20 DBED C[C@H](CNC(=O)Cn1cnnn1)N(C)C(=O)c1cc(C#N)c[nH]1 1404307808 XLBGEIINDBISKM-SECBINFHSA-N 316.325 -0.850 30 20 DBED CCc1c(C(=O)NC[C@@H](O)CNC(=O)[C@H](C)C#N)nnn1CC 1410166266 NSIIYHLCAKLUOE-ZJUUUORDSA-N 322.369 -0.773 30 20 DBED C[C@@H](C#N)C(=O)NC1CN(C(=O)CCn2cnccc2=O)C1 1416047518 RGXRXMPISQEBQZ-JTQLQIEISA-N 303.322 -0.880 30 20 DBED CCN(CCC#N)C(=O)CN[C@@H](C)CNC(=O)c1cn(C)cn1 1419729567 ODVDLSLHPVNMRL-LBPRGKRZSA-N 320.397 -0.110 30 20 DBED C=C(Cl)CN1CCO[C@@H](CNC(=O)Cn2ncnn2)C1 1438562984 BMTXUAUXGOJXOJ-JTQLQIEISA-N 300.750 -0.757 30 20 DBED Cc1nc(C#N)c(N2CCC(C(=O)N[C@H](CO)[C@@H](C)O)CC2)o1 1457862447 WSXYFWDDONSSNM-NOZJJQNGSA-N 322.365 -0.071 30 20 DBED C[C@H]1CCCN1CCNC(=O)Cn1cc(C#N)c(O)nc1=O 1472547963 LTZXTLPDEJEXKL-JTQLQIEISA-N 305.338 -0.579 30 20 DBED CN(CCC(=O)N(C)CCC#N)Cc1nnc2n1CCNC2=O 1473788558 NSSIZDJIXJKOJL-UHFFFAOYSA-N 319.369 -0.785 30 20 DBED C=CCNC(=O)[C@H](C)NC[C@H](C)N(C)C(=O)CNC(=O)O 1573369044 WBPJMBAIUSDXDC-UWVGGRQHSA-N 300.359 -0.619 30 20 DBED N#Cc1cn(CC(=O)N2CCC(C(=O)O)CC2)c(=O)nc1O 1574249261 UHXVMCXDNCDHQF-UHFFFAOYSA-N 306.278 -0.856 30 20 DBED C#CCN(C(=O)N[C@H]1CCCS(=O)(=O)C1)C1CCNCC1 1574584191 XPNKPIPRFCNSHH-LBPRGKRZSA-N 313.423 -0.040 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@H](N)C(C)(C)C2)C1=O 1574936085 RFMNKMCMDBMCPL-VIFPVBQESA-N 308.338 -0.841 30 20 DBED C=CC(C)(C)C(=O)NC[C@H]1CCN1CC(=O)NCc1cnn[nH]1 1575065668 KNGPILOBOWWLSO-GFCCVEGCSA-N 320.397 -0.176 30 20 DBED N#CCSCC(=O)N1CCO[C@@H](CNCc2cnn[nH]2)C1 1577710168 RFZAVVWXDRORPK-NSHDSACASA-N 310.383 -0.622 30 20 DBED N#CCN[C@H]1CCCN(C(=O)[C@@H]2CCCN2Cc2cnn[nH]2)C1 1577710349 YRKOTBBZAUXEFT-JSGCOSHPSA-N 317.397 -0.127 30 20 DBED C#CC1(O)CN(C[C@@H](O)COc2ccccc2-c2nn[nH]n2)C1 1588333047 BIBRJRLBZSPLDB-LLVKDONJSA-N 315.333 -0.714 30 20 DBED C=CCn1cc(C(=O)NCc2cncc(-c3nn[nH]n3)c2)nn1 1588713100 FHQGNNPAGSPUHS-UHFFFAOYSA-N 311.309 -0.031 30 20 DBED COC(=O)[C@H]1C[C@@H](C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[nH]2)C1 1591283876 XGCTZHVDBZKIAI-OLQVQODUSA-N 316.281 -0.401 30 20 DBED C[C@@H](C(=O)N=c1cc[nH]cc1C#N)n1cnc(-c2nn[nH]n2)n1 1603029726 FYDDWYGJOYVOFC-ZETCQYMHSA-N 310.281 -0.654 30 20 DBED COCCCn1nc(C(=O)N(CC#N)CCC(=O)O)ccc1=O 1606877215 BZZOPKRMTHXTHO-UHFFFAOYSA-N 322.321 -0.280 30 20 DBED N#Cc1ccc(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)O)cc1 1608198958 MDHXNUMXKFLMNY-LLVKDONJSA-N 308.315 -0.118 30 20 DBED N#Cc1cn(CCC(=O)N2CC[C@](F)(C(=O)O)C2)c(=O)nc1O 1608223449 VPOGQGRYRFPBOE-CYBMUJFWSA-N 324.268 -0.764 30 20 DBED C=CCNC(=O)NC(=O)CN1CC[C@H](NC(=O)c2ccon2)C1 1731370516 SGQHUAOSFRXWRK-JTQLQIEISA-N 321.337 -0.510 30 20 DBED C#CCNC[C@H]1CCCN(C(=O)[C@H](C)N2C(=O)CCC2=O)C1 1752798484 AVJQADMKVWJTPE-QWHCGFSZSA-N 305.378 -0.015 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@H](C)NCc1nnn(C)n1 1752902625 FOCWZYJQQYKEEE-JQWIXIFHSA-N 323.401 -0.725 30 20 DBED CCN(CCNC(=O)c1c[nH]nc1C1CC1)CC(=O)NCC#N 1753093287 YQGINLJWBIPWTI-UHFFFAOYSA-N 318.381 -0.021 30 20 DBED Cc1cnc(C(=O)NC[C@@H]2CCN(CC(=O)NCC#N)C2)cn1 1753120827 YRHDLFCMNCUVDT-LBPRGKRZSA-N 316.365 -0.524 30 20 DBED C#CCNC(=O)CN1CCO[C@@H](CNC(=O)c2[nH]ccc2C)C1 1753650089 MPBZPIMUEJGDFM-ZDUSSCGKSA-N 318.377 -0.497 30 20 DBED C=CCCn1cc(C(=O)N[C@H](C)CNCC(=O)N(C)C)nn1 1754244189 OXEYJWJOUMCOPV-LLVKDONJSA-N 308.386 -0.350 30 20 DBED C[C@H]1C[C@@H](C(=O)NC[C@H]2CCN2CC(=O)NCC#N)CCN1C 1754491408 IVKSEEIXOLPQOV-MELADBBJSA-N 321.425 -0.453 30 20 DBED C=CCCCN1CC(N(C)C(=O)Cn2cnc(C(N)=O)n2)C1 1754575103 BFLAMKFOUROBFE-UHFFFAOYSA-N 306.370 -0.514 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@](C)(NC(=O)Cc2cc[nH]n2)C1 1754671617 OMKRCYIVDVCKHD-LRDDRELGSA-N 317.393 -0.329 30 20 DBED C=CCNC(=O)CN[C@@H](C)[C@H](C)NC(=O)Cn1cc(C)cn1 1755226543 BUBXAQQCZFWDKX-STQMWFEESA-N 307.398 -0.023 30 20 DBED C#CCCNC[C@H](C1CC1)N(C)C(=O)c1nnc(O)nc1O 1755560675 BVURMQDHOXSAPG-SNVBAGLBSA-N 305.338 -0.254 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)C[C@H](C)NCC(=O)NCC 1755591661 OAUWYGWXQJUIKU-KBPBESRZSA-N 308.426 -0.343 30 20 DBED C#CCNC(=O)CN[C@@H](C)CN(C)C(=O)[C@@H]1CCCC(=O)N1C 1755614402 NRCPOXQEVCOYFF-STQMWFEESA-N 322.409 -0.817 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)CCn2ccnn2)[C@@H]1C 1755650280 JQZJHCMOTCAUFX-CHWSQXEVSA-N 320.397 -0.451 30 20 DBED C=CCOCC(=O)N(C)[C@H](C)CNC(=O)c1cnnc(O)c1 1756040427 PVFPGYLNEBMRPM-SNVBAGLBSA-N 308.338 -0.039 30 20 DBED C=CCOCC(=O)N[C@H](C)C1CN(C(=O)Cn2cncn2)C1 1756129447 ALDMVMIWJDGOHD-LLVKDONJSA-N 307.354 -0.556 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H](C)CN(C)C(=O)Cc1ncc[nH]1 1756485508 AAXCTXISHFZVDG-NEPJUHHUSA-N 306.366 -0.046 30 20 DBED C#CCCCCC(=O)NC[C@H](CO)NC(=O)[C@H]1CCN(C)C1 1756514016 QVOIFNJKSUCCLW-UONOGXRCSA-N 309.410 -0.275 30 20 DBED C#Cc1ccc(C(=O)N[C@H](CO)CNC(=O)c2ccnnc2)cc1 1756551100 BIMRPDNVXJVPTK-HNNXBMFYSA-N 324.340 -0.021 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@H](O)CN(C)C(=O)c1cn[nH]c1 1756654769 YPYPTMVBELGSAS-FZMZJTMJSA-N 310.354 -0.714 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@H](CNC(=O)CC(N)=O)C(C)(C)C 1756709209 IBGFSZBRUWEWHD-BMIGLBTASA-N 313.398 -0.164 30 20 DBED CNC(=O)CC(=O)N[C@H]1C[C@@H](CNC(=O)CSCC#N)C1 1757313452 VRBXIPOAZODHHV-AOOOYVTPSA-N 312.395 -0.610 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@@H]2CN(C(=O)COC)C[C@@H]2C1 1757465175 HYIRGQFMWVOTKR-MJBXVCDLSA-N 308.378 -0.022 30 20 DBED COc1c(C=NNCC(=O)O)sc(S(N)(=O)=O)c1OC 1776079098 HKJHMJHIWPAJSP-UHFFFAOYSA-N 323.352 -0.579 30 20 DBED N#CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1c[nH]c(=O)cn1)C2 1795464204 VAZNHPPYNCPYMU-JGPRNRPPSA-N 315.333 -0.065 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cccn1)C2 1800451695 CGOYPIRMVLBDNK-JJLQDPRZSA-N 302.334 -0.894 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)n1cncn1)C2 1800455951 DGHYGNGNNATSQP-FMSGJZPZSA-N 317.349 -0.938 30 20 DBED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CC)C2 1802016450 ILAQBDIGKHDJIS-QVHKTLOISA-N 308.378 -0.240 30 20 DBED CC[C@H](C)[C@@H](N)C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1842896617 KTXDOHNCXUDJJN-SMDDNHRTSA-N 321.377 -0.349 30 20 DBED Cn1c(NC[C@H](CO)Cc2ccco2)c(C#N)c(=O)n(C)c1=O 24206484 KNCPDPNMAIHRQV-SNVBAGLBSA-N 318.333 -0.188 30 20 DBED C=C(C)COCCNC(=O)c1cnc2[nH]c(=O)[nH]c(=O)c2c1 162317361 KZZIHVYEQFBNPP-UHFFFAOYSA-N 304.306 -0.066 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H](N(C)C)C2)C1=O 264450676 NXDVCCXNOVUAJF-NSHDSACASA-N 322.365 -0.484 30 20 DBED C#CCN(CC)CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 266904400 HKBSZRCSLMHVRQ-UHFFFAOYSA-N 323.418 -0.052 30 20 DBED C#CCN(CC#N)C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 281462871 FYZXICOMUZSBOK-UHFFFAOYSA-N 304.331 -0.531 30 20 DBED CN1[C@H]2CC[C@H]1CC(Nc1c(C#N)c(=O)n(C)c(=O)n1C)C2 295661722 AUNZJRHBFVYMLM-QWRGUYRKSA-N 303.366 -0.007 30 20 DBED CC(C)(C)C(=O)NCC/N=C(/O)NCC(=O)N1CCOCC1 330695717 ZOSWYCYIWCCWGE-UHFFFAOYSA-N 314.386 -0.489 30 20 DBED CNS(=O)(=O)CC/N=C(/O)N1CCC[C@@H]1CC(=O)OC 331268911 SNHUSALRNKDEMS-SECBINFHSA-N 307.372 -0.523 30 20 DBED CNS(=O)(=O)CC/N=C(/O)N(C)C1CCC(CO)CC1 331307608 SKCGYMRSCGQRLD-UHFFFAOYSA-N 307.416 -0.068 30 20 DBED CC(C)C(=O)NCCCNS(=O)(=O)N1CCO[C@@H](C#N)C1 336887954 LBOXQTOENXTXHD-NSHDSACASA-N 318.399 -0.793 30 20 DBED CC(C)[C@H]1CN(S(=O)(=O)N2CCO[C@H](C#N)C2)CCO1 336901704 BZIKONLKEDYMNA-VXGBXAGGSA-N 303.384 -0.188 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CCC[C@H](S(C)(=O)=O)C1 336935666 FLBSERLONFRHRR-NSHDSACASA-N 323.440 -0.024 30 20 DBED Cc1cc(C#N)nc(NCCCCN2CCN(CCO)CC2)n1 342419650 URVYLAHUGXJQNG-UHFFFAOYSA-N 318.425 0.459 30 20 DBED COC(=O)CSCCNC(=O)NCCn1cnc(C#N)n1 344738816 HUHIGXPFRVRUBN-UHFFFAOYSA-N 312.355 -0.645 30 20 DBED C[C@H]1CN(c2nccnc2C#N)CCN1Cc1nc(=O)n(C)[nH]1 347413263 BVIWKMMEMIUZAO-JTQLQIEISA-N 314.353 -0.519 30 20 DBED N#Cc1ccc(S(=O)(=O)Nc2nc3ncccn3n2)cn1 355789438 QPAWOGDMTAZTKH-UHFFFAOYSA-N 301.291 0.192 30 20 DBED C=CCOC[C@@H](NS(=O)(=O)N(C)CCOC)C(=O)OC 360613855 QBLDWSUYACODCZ-SNVBAGLBSA-N 310.372 -0.857 30 20 DBED COC(=O)c1cn(CC(=O)NCC2CCN(CC#N)CC2)nn1 362531432 QBKOFNZCDYHQPQ-UHFFFAOYSA-N 320.353 -0.584 30 20 DBED CS(=O)(=O)N1CCC[C@@H](NS(=O)(=O)CCCC#N)C1 408128423 OILYUYLBSVGHFY-SNVBAGLBSA-N 309.413 -0.366 30 20 DBED C=CCn1cc(CNC(=O)[C@H](NS(C)(=O)=O)C(C)C)nn1 424926798 UORUODNBBGHNSQ-LLVKDONJSA-N 315.399 -0.346 30 20 DBED C#CCN1CCN(C(=O)Cn2cnc3cnccc3c2=O)CC1 490718310 IEJMEXVOWSIKPT-UHFFFAOYSA-N 311.345 -0.431 30 20 DBED C#C[C@@H](CC)NS(=O)(=O)c1cnc2c(c1)c(O)nc(=O)n2C 491678983 CVUYZPZPWKOEAF-QMMMGPOBSA-N 322.346 -0.276 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C)[C@H]2CCOC2)C1=O 545959875 FDFQDNLNCKDEAK-UWVGGRQHSA-N 309.322 -0.496 30 20 DBED Cc1cnn(C[C@@H](NS(=O)(=O)CCCC#N)C(=O)O)c1 547879366 BEMZRVKMSOFMQV-SNVBAGLBSA-N 300.340 -0.132 30 20 DBED N#Cc1ncn(CCNC(=O)CNC(=O)c2ccc(O)cc2)n1 560757377 YFHYMOGLOZREEB-UHFFFAOYSA-N 314.305 -0.598 30 20 DBED N#CCN1CCC(NC(=O)C(=O)NC[C@H]2CCCCO2)CC1 585774445 WHKUSPKMOXIMEM-CYBMUJFWSA-N 308.382 -0.224 30 20 DBED N#CCNC(=O)CNC(=O)Cn1nc(-c2ccccc2)oc1=O 588077191 FVWBPKUFXCYOHT-UHFFFAOYSA-N 315.289 -0.741 30 20 DBED CCC(O)(CC)CN(C)S(=O)(=O)N1CCO[C@@H](C#N)C1 599508299 ZYINJTDUQSFYCW-NSHDSACASA-N 305.400 -0.062 30 20 DBED COc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H]1COCCN1 599899481 LIZBVQXBSFKNMO-LLVKDONJSA-N 318.333 -0.390 30 20 DBED N#CCCN1CCN(C(=O)CCNC(=O)[C@@H]2CCCN2)CC1 601850850 HMUZMABBLVIFIE-ZDUSSCGKSA-N 307.398 -0.697 30 20 DBED C=C[C@@](C)(O)C(=O)NC[C@H](O)CS(=O)(=O)c1cccs1 612844884 IDHZDWXNAJKBSU-JOYOIKCWSA-N 319.404 -0.064 30 20 DBED C=CC[C@@H](CO)CNC(=O)c1cc(S(N)(=O)=O)ccc1O 613252446 GHHHIDZCFDBCDM-SECBINFHSA-N 314.363 -0.046 30 20 DBED C#CCC[C@H](O)CNS(=O)(=O)c1cc(C(=O)O)n(C)c1 717918510 BYMMPDVDAXZABI-VIFPVBQESA-N 300.336 -0.224 30 20 DBED N#Cc1c(F)cccc1S(=O)(=O)NCCC(=O)NC(N)=O 751490419 FBYYOPPNXPMHCT-UHFFFAOYSA-N 314.298 -0.439 30 20 DBED CC1(C)[C@@H](NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)C[C@H]1O 779570004 KOVXLLRRSUMLEM-HDTCZIKISA-N 322.365 -0.029 30 20 DBED N#Cc1cc(C(=O)OCC(=O)NCC(=O)N2CCCC2)c[nH]1 786907565 YPWKBVBZKNGARJ-UHFFFAOYSA-N 304.306 -0.218 30 20 DBED CC(C)(C)OC(=O)C1=NO[C@@H](C(=O)NCC(=O)NCC#N)C1 804821157 YASUZCKRPUUUFK-SECBINFHSA-N 310.310 -0.771 30 20 DBED Cn1ncc2c(N3CCN(C[C@H](O)CC#N)CC3)ncnc21 809570879 DQOVISPOIFPSDP-LLVKDONJSA-N 301.354 -0.240 30 20 DBED N#Cc1c(N)n[nH]c1CCCNc1ccc(-c2nn[nH]n2)nn1 826383111 KTEPVBPDNKTHAB-UHFFFAOYSA-N 311.313 -0.122 30 20 DBED C=C[C@H](O)C(=O)NC[C@H](NC(=O)[C@@H](O)C=C)c1ccc(C)o1 831244010 VADROAVMKYUNRE-SRVKXCTJSA-N 308.334 -0.045 30 20 DBED CC#CCS(=O)(=O)NC(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1 860721880 NFVADUIOWXQPES-JTQLQIEISA-N 324.362 -0.758 30 20 DBED C#CCN1CCC[C@H](NC(=O)NCCN2C(=O)CCC2=O)C1 884147522 LVFSUOAAAGHTEZ-LBPRGKRZSA-N 306.366 -0.468 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2C=CCC2)CC1 895717705 BWVWIAJRZCJGPJ-GFCCVEGCSA-N 312.395 -0.500 30 20 DBED C=CCS(=O)(=O)CCNC(=O)NCCO[C@H]1CCOC1 921897428 POKRTICSLHEGJU-NSHDSACASA-N 306.384 -0.308 30 20 DBED C#CCN1CCN(C(=O)CN2CCC[C@H]2C2OCCO2)CC1 933902712 DJBWXEXYRBGKIB-AWEZNQCLSA-N 307.394 -0.399 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCCCN(C(=O)C(N)=O)C2)nn1 943258045 DZFOVQAIZWDRGQ-SNVBAGLBSA-N 320.353 -0.940 30 20 DBED C#CCN1CCC(C(=O)N[C@@H]2CCN(CC(N)=O)C[C@H]2C)CC1 945180807 LVIKPGAQNPMAJP-UKRRQHHQSA-N 320.437 -0.357 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2[C@H]3C[C@H]2N(C(=O)CC(N)=O)C3)c[nH]1 946948378 XFPOGGSFFPYHLJ-IYYTYJHQSA-N 301.306 -0.909 30 20 DBED CC[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)CC[C@@H]1NC(=O)C(N)=O 948386558 VSTNQJXKIQKTGD-SKDRFNHKSA-N 317.349 -0.271 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@@H]1CNC(=O)C1CC(=O)NC(=O)C1 951086235 HMDSUDWZMBCZGA-LLVKDONJSA-N 321.377 -0.032 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2CCN2C(=O)Cn2cncn2)nc1 951382088 UDWRBVPHXRYURY-ZDUSSCGKSA-N 324.344 -0.315 30 20 DBED C[C@@H](C#N)C(=O)N1CC(N(C)C(=O)c2cc(C(N)=O)c[nH]2)C1 955120902 VCBDAKNRVYVENO-QMMMGPOBSA-N 303.322 -0.444 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CN(C(=O)C(C)(C)C(N)=O)C1 955365236 HHSIANMJLYBVNL-NEPJUHHUSA-N 323.393 -0.242 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](CNC(=O)c2cc(=O)n(C)cn2)C1 958149738 WCFBYUGTXAJMCW-YPMHNXCESA-N 306.366 -0.621 30 20 DBED C=CCN1C[C@H](CNC(=O)c2nc3ncc(C)cn3n2)[C@@H](O)C1 958167482 MMAHRAYDXUZHSO-RYUDHWBXSA-N 316.365 -0.359 30 20 DBED C#CCCN1C[C@H](CNC(=O)c2cn3cccnc3n2)[C@@H](O)C1 958215513 WWXIZGQYAYAWDD-JSGCOSHPSA-N 313.361 -0.225 30 20 DBED C=CCN1C[C@@H](O)[C@H](CNC(=O)c2cncc(C(N)=O)c2)C1 958698095 SURBAKVTOBUUBK-CHWSQXEVSA-N 304.350 -0.611 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)C[C@H]3CCNC3=O)C[C@@H]2C1 961698741 KBYGIBLPTXIESR-QNWHQSFQSA-N 318.377 -0.411 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)C2CC(F)(F)C2)C1 962157874 PVHIAZUNDVVWEV-SFGNSQDASA-N 301.293 -0.121 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)Cc2cscn2)C1 963210450 AXJUYVRCBUPNHD-IEBDPFPHSA-N 308.363 -0.467 30 20 DBED Cc1cc(C(=O)NC[C@H]2COCCN2C(=O)[C@H](C)C#N)cnn1 964180689 QZFVHOMRHOPMPW-MFKMUULPSA-N 317.349 -0.098 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CN(C(=O)c3cocn3)CCO2)C1 965326749 JBULLUMYBUNMKT-SNVBAGLBSA-N 304.306 -0.112 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(C[C@H](NC(=O)c3ncn(C)n3)CO2)C1 965696289 PEUHOMLJXHSYHC-UWVGGRQHSA-N 318.337 -0.926 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(C[C@H](NC(=O)c3nc[nH]n3)CO2)C1 965769112 FZNOTUXTCFATGH-IUCAKERBSA-N 304.310 -0.936 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CC(=O)N(C)C1 969188673 MBWGWBFMARRMRG-QNWHQSFQSA-N 318.377 -0.174 30 20 DBED C[C@@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)[C@@H]1CCNC(=O)C1)C2 969805713 KSXZQUQRIDWLGI-RNJOBUHISA-N 318.377 -0.126 30 20 DBED C#CCN1C[C@H]2CC[C@H]1CN2C(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1 971811461 GHMGCNDQFGUEFR-LJISPDSOSA-N 319.405 -0.069 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@]2(CN(Cc3cnn(C)n3)CCO2)C1 972298123 QICFWMSEYBFVGW-IUODEOHRSA-N 318.381 -0.222 30 20 DBED C=CCCN1CCO[C@@]2(CCN(C(=O)[C@H]3CN(C)C(=O)N3)C2)C1 972503574 GXQSEBJHUUODKL-CJNGLKHVSA-N 322.409 -0.111 30 20 DBED C=CCN1C[C@H](NC(=O)CN2CCN(C)C(=O)C2)C(C)(C)C1 974748097 DRMJTENLQTZYAN-ZDUSSCGKSA-N 308.426 -0.227 30 20 DBED C#CCN(C)[C@@H]1CCN(C(=O)c2cn(CC(=O)N(C)C)nn2)C1 980483684 ROWPRDYVXPXINY-GFCCVEGCSA-N 318.381 -0.854 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CN(C(=O)C2(C(N)=O)CC2)C1 992031376 LBGNCFCEEKHKQI-RYUDHWBXSA-N 321.377 -0.440 30 20 DBED C[C@]1(C(=O)NC2CN(C(=O)C#CC3CC3)C2)CCCS1(=O)=O 995348539 GDCOCZAZPLXQEU-OAHLLOKOSA-N 324.402 -0.306 30 20 DBED C[C@H](C#N)C(=O)N1CC(NC(=O)Cn2ncc3cccnc32)C1 996988778 XHVIYUTZRRDMOY-SNVBAGLBSA-N 312.333 -0.082 30 20 DBED C#CCN[C@H]1CCCN(C(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 999843910 XRDZJGYZXXBVAW-NSHDSACASA-N 314.353 -0.479 30 20 DBED N#Cc1cc(C(=O)NCC2CN(C(=O)Cn3nccn3)C2)c[nH]1 1001510134 YEYPJSIBJYXSFO-UHFFFAOYSA-N 313.321 -0.634 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](NC(=O)Cc2nc[nH]n2)C(C)(C)C1 1008622058 DAWHKTKXVSPBGR-UWVGGRQHSA-N 304.354 -0.140 30 20 DBED N#Cc1cc(C(=O)N2CCN(C(=O)[C@H]3COC(=O)N3)CC2)c[nH]1 1011025858 HKJFXMLVCSQTJY-LLVKDONJSA-N 317.305 -0.721 30 20 DBED CCn1ncc(C(=O)NC2[C@H]3CN(C(=O)C#CC4CC4)C[C@H]23)n1 1013056920 YUNCARFBQFVCNJ-RYUDHWBXSA-N 313.361 -0.102 30 20 DBED C=C(C)C(C)(C)C(=O)N1C[C@H]2C(NC(=O)Cn3ncnn3)[C@@H]2C1 1013153759 QLBQKRPIATVRAN-GHMZBOCLSA-N 318.381 -0.152 30 20 DBED C[C@H](C#N)C(=O)N1CCCO[C@H](CNC(=O)c2cnn[nH]2)C1 1019619775 YQQHNDMCSOVGDS-NXEZZACHSA-N 306.326 -0.688 30 20 DBED C[C@@H](C#N)C(=O)N1CCCO[C@H](CNC(=O)c2ncccn2)C1 1019655624 NWUYFWKQXATMMS-NWDGAFQWSA-N 317.349 -0.016 30 20 DBED C#CCN[C@H]1C[C@@H](NC(=O)[C@@H]2COCCN2CC(F)F)C1 1022495001 VFLZVYCYHGMGKC-TUAOUCFPSA-N 301.337 -0.178 30 20 DBED COc1c(O)nc(O)nc1C(=O)NC[C@@H]1CCCN(CC#N)C1 1023699503 FTSCSGVLAJKFRG-VIFPVBQESA-N 321.337 -0.138 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCCCN1CC(=O)NC 1024488552 ZNVSCQOHAHDJGG-CABCVRRESA-N 320.437 -0.199 30 20 DBED C=CCN1CC[C@H](N[C@H](C)C2CCN(C(=O)C(N)=O)CC2)C1=O 1029138629 NPGBYQRUSVVSSN-YPMHNXCESA-N 322.409 -0.525 30 20 DBED N#Cc1c[nH]c(C(=O)NC2CN([C@@H]3CCC(=O)NC3=O)C2)c1 1030197086 UNNQREGOQJYJFI-LLVKDONJSA-N 301.306 -0.894 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)CN3CC[C@@H](C)C3)C2)C1=O 1030960508 UFDONGGATJXRDM-UKRRQHHQSA-N 320.437 -0.085 30 20 DBED CC#CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC(=O)N(CCOC)C1 1032433944 UNTPUWYFPYQPSW-ILXRZTDVSA-N 319.405 -0.210 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)c2c[nH]nc2S(N)(=O)=O)C1 1033408903 DWDJNHUTQBABIL-VIFPVBQESA-N 313.383 -0.611 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[C@H](N[C@H](C)C(N)=O)CC1 1034663988 PWLFOYCBJDCJCN-TUVASFSCSA-N 320.437 -0.025 30 20 DBED C#CCN[C@H]1CC[C@H](NC(=O)C2CC3(C2)NC(=O)NC3=O)CC1 1034753164 AHCDLPPRCWQXRG-GBJBNMRASA-N 318.377 -0.375 30 20 DBED COCCn1nccc1C(=O)NC[C@H]1CN(CC#N)CCO1 1035409883 DSFSMFIXMSLXKI-LBPRGKRZSA-N 307.354 -0.516 30 20 DBED CC#CCN1CC[C@@H]1CNC(=O)[C@@H]1CC(=O)N(CCOC)C1 1038317027 GTQDDMSRVPZGLG-ZIAGYGMSSA-N 307.394 -0.305 30 20 DBED CN1CCC[C@H]1C(=O)N1CC[C@](O)(CNC(=O)C#CC2CC2)C1 1039677687 KYYTZJKAZPNUHG-YOEHRIQHSA-N 319.405 -0.426 30 20 DBED Cn1cnc(C(=O)N2CC[C@@](O)(CNC(=O)C#CC3CC3)C2)c1 1039680710 LHBSUOJIRGGFDD-MRXNPFEDSA-N 316.361 -0.473 30 20 DBED C=CCCC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2CCC(=O)N2)C1 1040435358 IHVZELRMGFQOFZ-NHYWBVRUSA-N 309.366 -0.689 30 20 DBED C=CC(C)(C)C(=O)NC[C@]1(O)CCN(C(=O)[C@H]2CCC(=O)N2)C1 1040484771 HHQNLLNBBGKQJO-BDJLRTHQSA-N 323.393 -0.443 30 20 DBED C#CCCCC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2CCNC2=O)C1 1040486743 WFAVIZGOBPMWCI-MLGOLLRUSA-N 321.377 -0.994 30 20 DBED Cc1nocc1C(=O)NC[C@@]1(O)CCN(C(=O)[C@H](C)C#N)C1 1040754598 HQANUTQPPOKNCX-OTYXRUKQSA-N 306.322 -0.164 30 20 DBED C[C@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)C2(CN(C)C)CC2)C1 1040761136 RPKSAXQRONMXAM-MLGOLLRUSA-N 322.409 -0.433 30 20 DBED CN1CCC[C@H]1C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1O 1040944192 IQCCRBLGBMIAIA-FRRDWIJNSA-N 316.365 -0.892 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)CCOC)C1 1041073353 HKZXQKJZAHJJRJ-NSHDSACASA-N 300.355 -0.697 30 20 DBED C#CCCCCC(=O)N1CC(O)(CNC(=O)c2cn[nH]c2)C1 1041658112 WPCJULPKHQVMEA-UHFFFAOYSA-N 304.350 -0.094 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]2C(=O)OC)C1 1041981121 WVCJJUGBPUJOOH-GHMZBOCLSA-N 324.377 -0.303 30 20 DBED Cc1nc(C)c(C(=O)NCC2(O)CN(C(=O)[C@H](C)C#N)C2)o1 1042300228 QBADHZANWYKZDL-MRVPVSSYSA-N 306.322 -0.246 30 20 DBED C=CCN1CC[C@@H](N2CC(N(C)C(=O)c3cc[nH]n3)C2)C1=O 1042495393 BRVORVXMTYYNIO-CYBMUJFWSA-N 303.366 -0.047 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042963697 SDVJSPJBLOHJIJ-KGLIPLIRSA-N 318.373 -0.320 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2cnco2)C1 1044131010 IGWNWZVNRYFZOA-JTQLQIEISA-N 309.322 -0.431 30 20 DBED C#CCN[C@@H]1CCN(C(=O)Cn2nc(C)n(C)c2=O)[C@H](C)C1 1044835966 HZJSGCSPIOWCCB-DGCLKSJQSA-N 305.382 -0.507 30 20 DBED Cc1ccoc1CC(=O)N1CC(O)(CNC(=O)[C@@H](C)C#N)C1 1045551977 PDRGHBBJOJCPKD-NSHDSACASA-N 305.334 -0.020 30 20 DBED C#CCCCCC(=O)N1CC(O)(CNC(=O)CCN(C)C)C1 1045710326 KGHXCKQYFLHDIN-UHFFFAOYSA-N 309.410 -0.179 30 20 DBED C=CCCN1CC[C@H](N2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)C1 1046062618 HEZGIXVWODBSKR-ZNMIVQPWSA-N 320.437 -0.098 30 20 DBED Cn1ncc(C(=O)N2CCN([C@H]3CCN(CC#N)C3)CC2)n1 1046070033 NPLJKLPULZQTDR-LBPRGKRZSA-N 303.370 -0.829 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3n2CCOC3)C1 1047415654 HICZUXGSBNMSSU-STQMWFEESA-N 306.366 -0.284 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2cc3n(n2)CCCO3)C1 1047452971 KPLGMXNKRAXZIU-KBPBESRZSA-N 318.377 -0.194 30 20 DBED C=C(C)CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CN(C)C(=O)N2)C1 1047485878 CUGJMYJYBKVHQY-AGIUHOORSA-N 310.398 -0.520 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)c2cnns2)C[C@@H]1O 1049388481 LFKBONFBGSDULY-VGMNWLOBSA-N 309.351 -0.659 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCN([C@@H]3CCC(=O)NC3=O)CC2)C1 1050463086 INVCHNJRHWKTJH-NWDGAFQWSA-N 318.377 -0.124 30 20 DBED C=CCN1CCOC[C@@H]1CNC(=O)c1ccnc2[nH]nnc12 1051018900 YQXPMFUAUQGGON-JTQLQIEISA-N 302.338 -0.031 30 20 DBED C=C(Cl)CN1CCOC[C@@H]1CNC(=O)[C@@H]1CCC(=O)N1 1051216141 DLDMVYKRRRGLJM-QWRGUYRKSA-N 301.774 -0.166 30 20 DBED C#CCCN1CC2(CC[C@@H](CNC(=O)[C@@H]3CCC(=O)NC3)O2)C1 1053620395 LLFPNZYIBAAVTP-KGLIPLIRSA-N 319.405 -0.115 30 20 DBED CN(C)c1cnc(C(=O)N[C@@H]2COC3(C2)CN(CC#N)C3)cn1 1053800974 ALHOSJDGJSDOSL-NSHDSACASA-N 316.365 -0.361 30 20 DBED C#CCN1CCC(C(=O)N[C@@H]2COC3(C2)CN(CC#C)C3)CC1 1054016522 DWEGGIMTCVRACR-INIZCTEOSA-N 315.417 -0.076 30 20 DBED C=CCN1CC2(C[C@@H](NC(=O)c3cn(C)c(=O)n3C)CO2)C1 1054019660 ZVMPCIRGXVPLKE-LLVKDONJSA-N 306.366 -0.517 30 20 DBED N#Cc1cncc(N[C@@H]2CCN(C(=O)[C@H]3COCCO3)C2)n1 1056556724 IVKXHLHLWPEDJG-ZYHUDNBSSA-N 303.322 -0.224 30 20 DBED Cc1cc(C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N)nn1C 1057107043 FKJBNSJEPBFEMG-JTQLQIEISA-N 307.354 -0.561 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)C1CN(C(C)=O)C1 1057434922 NYNZLPXCQUJCSM-UHFFFAOYSA-N 323.393 -0.795 30 20 DBED N#Cc1cccnc1N1CCC[C@@H](NC(=O)Cn2ncnn2)C1 1058196950 KAPUSRJDDTUOBA-GFCCVEGCSA-N 312.337 -0.275 30 20 DBED CCn1nncc1C(=O)N[C@H]1CCN(c2nccnc2C#N)C1 1058353971 UHTKBKPWRNARDR-JTQLQIEISA-N 312.337 -0.032 30 20 DBED C[C@@H]1CCN(CC(=O)N(CCO)CCNC(=O)C#CC2CC2)C1 1058845586 RHADAZHVLAYMMX-CQSZACIVSA-N 321.421 -0.321 30 20 DBED CC(C)(C)C#CC(=O)NCCN(CCO)C(=O)Cn1cncn1 1058884078 GAOWWNHQXZPQHZ-UHFFFAOYSA-N 321.381 -0.735 30 20 DBED N#Cc1nc(=N[C@H]2CCN(C(=O)[C@H]3CCCNC3=O)C2)cc[nH]1 1058985829 UEWRGBKDRUUBNW-QWRGUYRKSA-N 314.349 -0.691 30 20 DBED Cc1cc(C#N)nc(N[C@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)C2)n1 1059049286 JFECEVSQNDATJH-ONGXEEELSA-N 315.337 -0.649 30 20 DBED C#CCCCC(=O)NC[C@@H]1COCCN1C(=O)[C@H]1COCCO1 1061536812 VBALLJZXADULQF-ZIAGYGMSSA-N 324.377 -0.451 30 20 DBED C[C@@H](C#N)C(=O)N1CCCC[C@@H]1CNC(=O)Cn1cnnc1O 1062333093 GXFSGERAPGLVEJ-WDEREUQCSA-N 320.353 -0.359 30 20 DBED C[C@@H](C#N)C(=O)N1CCCC[C@@H]1CNC(=O)CN1CCOCC1 1062333435 QZIDHKLPQCCOBH-UONOGXRCSA-N 322.409 -0.024 30 20 DBED C[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(C#N)nn1)n1cncn1 1062477576 PDXMCNZGKVROMQ-WXHSDQCUSA-N 324.348 -0.010 30 20 DBED C=CCCC(=O)NCC1(NC(=O)CN2CCOCC2=O)CCC1 1062686701 VIXOJEPJPWHMIW-UHFFFAOYSA-N 323.393 -0.034 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCO[C@@H](CNC(=O)COCC)C1 1065095262 AOTBCBHHHFHRSP-SWLSCSKDSA-N 314.382 -0.306 30 20 DBED C#CCOCCC(=O)NC[C@H]1CN(C(=O)c2cnco2)CCO1 1065386625 YTIKUULYVNUCLM-LBPRGKRZSA-N 321.333 -0.328 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)c2nnn(C)n2)CCO1 1065467743 IXPWVRCNTFCHQD-JTQLQIEISA-N 308.342 -0.867 30 20 DBED Cc1ccc(C#N)c(NC[C@@H]2CN(C(=O)C(N)=O)CCO2)n1 1066668709 IWWZWYIXEVYMSP-LLVKDONJSA-N 303.322 -0.614 30 20 DBED N#Cc1nccc(N2C[C@@H](O)[C@@H](CNC(=O)c3cocn3)C2)n1 1067654049 RMFBWPDKUHKVDF-GXSJLCMTSA-N 314.305 -0.437 30 20 DBED C[C@@H]1[C@H](Nc2ccc(C#N)nn2)CCN1C(=O)Cn1cnnn1 1068776886 LKTLZGXPBLMNKS-MWLCHTKSSA-N 313.325 -0.564 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H]1COC2(C1)CN(C(=O)C1CC1)C2 1068868909 UOFWWXSJSGIJJI-DGCLKSJQSA-N 306.362 -0.079 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(CC#N)C[C@@H]2n2ccnn2)nc1 1070078655 KBYRLIZSKRRYTD-CABCVRRESA-N 321.344 -0.167 30 20 DBED C#CCN[C@@H]1CN(C(=O)Cc2ncc[nH]2)C[C@H]1c1cn(C)cn1 1070550004 XSUDHGDMYRPFON-GXTWGEPZSA-N 312.377 -0.097 30 20 DBED N#CCN1CCNC(=O)CCN(C(=O)c2cc(F)c[nH]2)CC1 1070980234 WDXFGRZHNMBPCW-UHFFFAOYSA-N 307.329 -0.059 30 20 DBED C#CCOCCC(=O)N[C@H]1CN(C(=O)c2cn(C)nn2)C[C@@H]1C 1072014229 NQDKWJLHJDDFQR-RYUDHWBXSA-N 319.365 -0.568 30 20 DBED C[C@H]1CN(C(=O)CCNC(N)=O)C[C@@H]1NC(=O)C#CC1CC1 1072066252 MEFXNSFDIJOVHJ-JQWIXIFHSA-N 306.366 -0.579 30 20 DBED C=CCCCC(=O)N[C@@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1C 1072162146 VOMHADZYYCOPCH-NWDGAFQWSA-N 306.370 -0.008 30 20 DBED N#CCN1CCC2(C1)CN(C(=O)c1coc(S(N)(=O)=O)c1)C2 1072862064 LGYLBBUAMKALPH-UHFFFAOYSA-N 324.362 -0.402 30 20 DBED CN1C[C@@H](C(=O)NC[C@@H]2CN(CC#N)CCCO2)CCC1=O 1073902186 WYXPDDDKUHCVAK-QWHCGFSZSA-N 308.382 -0.415 30 20 DBED CC(C)C#CC(=O)N[C@H]1CCN(C(=O)Cn2cnnn2)C[C@@H]1C 1073933830 YKEIPHNVYQVCNB-STQMWFEESA-N 318.381 -0.314 30 20 DBED C=CCOCC(=O)NCC[C@H](C)NC(=O)CCn1cncn1 1075916910 SXSZZZQBQDICLL-LBPRGKRZSA-N 309.370 -0.118 30 20 DBED C=CCOCC(=O)NCC[C@H](C)NC(=O)[C@]1(C)CCC(=O)N1 1075918793 GJAAOVSEPARTBM-NHYWBVRUSA-N 311.382 -0.131 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)c2cc(=O)c(OC)co2)C1 1077389170 NBLOSJGRDDWMFV-ZYHUDNBSSA-N 308.334 -0.001 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3nc(C)nn3C2)C1 1077432883 AWJQRPZZFVWVPF-BFHYXJOUSA-N 317.393 -0.666 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)Cc2ccc3c(c2)CCO3)C1 1077477394 AWYJSRYEVXHLRX-HUUCEWRRSA-N 300.358 -0.042 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)c2ccnc3nc(C)nn23)C1 1077995941 YWTJYLSBYLTNKO-DGCLKSJQSA-N 316.365 -0.216 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H](C)CCNC(=O)Cc1nc[nH]n1 1078595921 LJXOLCFQYJGELL-QWRGUYRKSA-N 307.354 -0.604 30 20 DBED C#CCNC(=O)CC(=O)N1CC(N(CC)C(=O)[C@H](O)C(C)C)C1 1079712245 NRNAKHQZWYXSOB-OAHLLOKOSA-N 323.393 -0.798 30 20 DBED C#Cc1cncc(C(=O)N2C[C@H](O)[C@H](CNC(=O)COC)C2)c1 1081185704 FJXMGQHVBHTBAG-KGLIPLIRSA-N 317.345 -0.742 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@H](CNC(=O)Cc2cnn(C)c2)C1 1081333390 SKGPIQSDUVAYIW-KGLIPLIRSA-N 320.393 -0.136 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@@H]1O 1081338813 WLTRTGPZYMVQFM-QWRGUYRKSA-N 311.382 -0.600 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)Cc2nonc2C)C1 1081725545 WVZLBDYGPFQFHK-WCQYABFASA-N 322.365 -0.178 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@@H]1CCCCS1(=O)=O 1081792825 GOURCOQNRBYQTK-UTUOFQBUSA-N 315.395 -0.707 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@@H]2CCCc3nn[nH]c32)[C@H](OC)C1 1082072909 NXPZKLBZWIDZHG-RAIGVLPGSA-N 303.366 -0.327 30 20 DBED C#CCN1C[C@@H](NC(=O)Cc2nc(C3CC3)nn2C)[C@H](OC)C1 1082378706 SJLGMNSWLXFLRE-CHWSQXEVSA-N 317.393 -0.316 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CCNC(=O)CC1 1083153792 PQESNUPFMOQOLY-MELADBBJSA-N 305.378 -0.553 30 20 DBED C=CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)Cn1nc(C)ccc1=O 1083254782 MBMQDKOIZIWMKL-UONOGXRCSA-N 318.377 -0.351 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN([C@H]3CCN(C)C3=O)C[C@@H]2O)C1 1083763539 PSWQXNARHLBBPX-AGIUHOORSA-N 307.394 -0.265 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)c2cc(N(C)C)ccn2)C1 1084111361 FHMIRZCQXHMLRC-CABCVRRESA-N 302.378 -0.054 30 20 DBED N#CCN[C@H]1C[C@@H](CNC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 1086156145 QRRINSWAHNTGQQ-UMNHJUIQSA-N 302.338 -0.627 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CC[C@H](C)N(c2cncc(C#N)n2)C1 1089129023 KFEHATMFXOFIJE-WDEREUQCSA-N 316.365 -0.042 30 20 DBED COC[C@H](C)C(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@@H]1O 1091089481 AVPGZTKMFVVUMB-UHTWSYAYSA-N 304.350 -0.099 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(c2cncc(Cl)n2)C[C@@H]1O 1091153182 VEWZMFNYMRYZBL-AXFHLTTASA-N 324.768 -0.166 30 20 DBED N#Cc1ccc(N[C@H]2C[C@H](CNC(=O)CNC(N)=O)C2)cn1 1091422757 KYYSHVZLWMILJI-OTCDBFHCSA-N 302.338 -0.072 30 20 DBED Cc1ccc(C#N)c(N2C[C@H]3C(NC(=O)CNC(N)=O)[C@@H]3C2)n1 1093209960 JPRDACSYXGGHCA-GHMZBOCLSA-N 314.349 -0.519 30 20 DBED N#Cc1c[nH]ccc1=NCCNC(=O)C[C@@H]1CCCS1(=O)=O 1094011621 MZVKSIOXUWRNEY-LBPRGKRZSA-N 322.390 -0.129 30 20 DBED Cc1n[nH]cc1C(=O)NCc1cn(C2CN(CC#N)C2)nn1 1094308185 IJFDRIGAKQJWMZ-UHFFFAOYSA-N 300.326 -0.380 30 20 DBED C[C@H](CC(N)=O)C(=O)N1CC[C@@H](N(C)c2cncc(C#N)n2)C1 1095151601 MATUPVFBFAIOSN-ZYHUDNBSSA-N 316.365 -0.103 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1ccc(S(N)(=O)=O)o1 1095683586 RFKLLDVGRPNFQR-VWYCJHECSA-N 323.374 -0.105 30 20 DBED C#CCCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H]1COCCN1C(C)=O 1096575843 ZRCLTYUWPHSWST-UGUYLWEFSA-N 319.405 -0.022 30 20 DBED COCCCOCC(=O)N1CC[C@H](N=c2cc[nH]c(C#N)n2)C1 1096957064 AMJXZGXQAGHGLO-LBPRGKRZSA-N 319.365 -0.164 30 20 DBED C[C@H](CNC(=O)[C@@]1(C)CNC(=O)C1)Nc1cnc(C#N)cn1 1098153765 XUEHKQUWAJJFOW-YMTOWFKASA-N 302.338 -0.209 30 20 DBED Cc1cc(=N[C@H](C)CNC(=O)c2nnn(C)n2)c(C#N)c[nH]1 1098200539 ZCHAHZRJFUHJCT-SECBINFHSA-N 300.326 -0.563 30 20 DBED C[C@H](CNC(=O)c1cnc2[nH]nnc2c1)N=c1cc[nH]c(C#N)n1 1098356220 OXBZCXDSJNCDDD-MRVPVSSYSA-N 323.320 -0.333 30 20 DBED C=CCOCC(=O)N1C[C@H]2CC[C@H]1[C@H]1CN(CC(N)=O)C[C@H]21 1099447115 ZVSYCRSGPHECEL-MQYQWHSLSA-N 307.394 -0.157 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)/C(C)=C\CC)[C@H](O)C1 1099721122 OKHRHQPUVNXFNQ-PJWHXWNJSA-N 307.394 -0.357 30 20 DBED C#CCCCC(=O)N[C@H]1CCN(CC(=O)NCCC)C[C@@H]1O 1099804152 IZHZOEWSEVDNSP-KBPBESRZSA-N 309.410 -0.133 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CCCn2ccnn2)[C@@H](O)C1 1099869627 SCXWHGBHDFRCKZ-KGLIPLIRSA-N 305.382 -0.367 30 20 DBED C#CCN1CC[C@H](NC(=O)COCc2cc(C)no2)[C@@H](O)C1 1099889512 BEDSLEQERRGZIA-KBPBESRZSA-N 307.350 -0.316 30 20 DBED C=CCCN1CC[C@@H](NC(=O)CCS(C)(=O)=O)[C@H](O)C1 1099894539 LWFXVBOHIZOLPA-VXGBXAGGSA-N 304.412 -0.451 30 20 DBED C=CCN1CC[C@@H](NC(=O)CNC(=O)c2ccco2)[C@H](O)C1 1100096566 JHJSZMZOXQGTHY-VXGBXAGGSA-N 307.350 -0.253 30 20 DBED CC(C)CC(=O)NCCC(=O)N[C@H]1CCN(CC#N)C[C@@H]1O 1100143575 WVZXAEOUOCJNKM-STQMWFEESA-N 310.398 -0.386 30 20 DBED CCN(CCNC(=O)CCNC(N)=O)c1ccc(C#N)cn1 1100529388 ZRXGISONRADBRL-UHFFFAOYSA-N 304.354 -0.046 30 20 DBED CCN(CCNC(=O)CCn1cnnn1)c1nccnc1C#N 1100600214 HBPZQQSUNXMPOU-UHFFFAOYSA-N 315.341 -0.632 30 20 DBED N#Cc1ccc(N2CCC[C@@H]2CNC(=O)Cn2cnnn2)cn1 1100776461 JCMVFWRDKUHRHC-GFCCVEGCSA-N 312.337 -0.275 30 20 DBED N#Cc1ccc(N(CCNC(=O)Cc2nc[nH]n2)C2CC2)nn1 1101385291 OXVDSBPTABNMPX-UHFFFAOYSA-N 312.337 -0.206 30 20 DBED CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N(C)CCNc1ccc(C#N)nn1 1101972332 XKDGFGBAFIPXJR-NEPJUHHUSA-N 316.365 -0.057 30 20 DBED CCNC(=O)CC(=O)N(C)[C@H]1CCN(c2ccc(C#N)nn2)C1 1102695215 BMELYWSENZLGND-LBPRGKRZSA-N 316.365 -0.088 30 20 DBED CCN(C(=O)CNC(N)=O)[C@H]1CCN(c2nccnc2C#N)C1 1102779737 KIALSWPXVMEZJT-JTQLQIEISA-N 317.353 -0.556 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1CCNC(=O)C(=O)NCC(F)F 1103171617 LNCMMPLTYNKXOI-NXEZZACHSA-N 302.325 -0.035 30 20 DBED COCCO[C@H](C)C(=O)NC[C@@H](C)CN=c1cc[nH]c(C#N)n1 1104073512 LVCZUZOOONWMCI-NWDGAFQWSA-N 321.381 -0.014 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CN(c2ccc3nnnn3n2)CCO1 1104301742 KBNRJNQQQVHMHN-UWVGGRQHSA-N 316.325 -1.000 30 20 DBED C[C@H]1CN(C(=O)CNC(N)=O)CC[C@H]1Nc1ccc(C#N)nn1 1105030696 XQBLOHAGMLOAIH-GXSJLCMTSA-N 317.353 -0.335 30 20 DBED C#CCNCc1cn(C2CN(C(=O)[C@@H]3CN(C)C[C@@H]3C)C2)nn1 1105327012 OMOGAPKRABVKDR-SWLSCSKDSA-N 316.409 -0.418 30 20 DBED C=CCN1CC(n2cc(CNC(=O)Cn3cccn3)nn2)C1 1107125083 ILTQDGOLVZYCNU-UHFFFAOYSA-N 301.354 -0.166 30 20 DBED C#CCN1CC(n2cc(CNC(=O)[C@@H](OC)C3CC3)nn2)C1 1107165502 VZNKMZVCEROKPM-AWEZNQCLSA-N 303.366 -0.191 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCO[C@@](C)(CNC(=O)C(F)F)C1 1107673863 XAWGCNRWELLUJG-YGRLFVJLSA-N 317.336 -0.404 30 20 DBED CC[C@@H](C(N)=O)N1CCO[C@](C)(CNC(=O)C#CC2CC2)C1 1107932328 JZOWHJMPCZPRAM-XJKSGUPXSA-N 307.394 -0.129 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)[C@@H](C)N2C(=O)CCC2=O)C1 1107983046 FVXYQTRBZCJCMJ-WBMJQRKESA-N 321.377 -0.636 30 20 DBED C#CCCN1CCO[C@@](C)(CNC(=O)[C@@H]2CCC(=O)NC2)C1 1108044330 QVFGKEZMJUWSIM-CJNGLKHVSA-N 307.394 -0.257 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)[C@H]2CCCS2(=O)=O)C1 1108408443 GGNJBFFNAAKVSM-OCCSQVGLSA-N 314.407 -0.596 30 20 DBED C[C@@H](CNc1ccc(C#N)nc1)NC(=O)C1CC(=O)NC(=O)C1 1108441691 UQBNKKHBUMBDTL-VIFPVBQESA-N 315.333 -0.077 30 20 DBED CC#CCN1CC(N2C[C@@H](NC(=O)CCOCC)CC2=O)C1 1108522208 PBBOSFVEOUDJDO-ZDUSSCGKSA-N 307.394 -0.162 30 20 DBED C[C@@H](CN(C)c1nccnc1C#N)NC(=O)C[C@H]1CCC(=O)N1 1109005976 BFVINDQEDJASPG-WDEREUQCSA-N 316.365 -0.042 30 20 DBED CCC(=O)NCC(=O)N(C)CCCN=c1cc[nH]c(C#N)n1 1109395862 CTYTXYMNZRJPCE-UHFFFAOYSA-N 304.354 -0.443 30 20 DBED C[C@]1(NC(=O)Cn2cnnn2)CCN(c2ccnc(C#N)n2)C1 1110710913 OVFALFPJCCBHFY-ZDUSSCGKSA-N 313.325 -0.880 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@]1(O)CCN(c2ncccn2)C1 1111063722 CLFLATMARCQVFY-HUUCEWRRSA-N 306.366 -0.139 30 20 DBED C[C@@H]1C[C@H](C(=O)N(CCO)CCN=c2cc[nH]c(C#N)n2)CO1 1111522205 LTUIXYGLJPWDNH-NEPJUHHUSA-N 319.365 -0.572 30 20 DBED CC(C)NC(=O)NC(=O)[C@H](C)N1CCN(C(=O)[C@@H](C)C#N)CC1 1112718417 JQMDYZVGSWIVEU-RYUDHWBXSA-N 323.397 -0.087 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)C[C@@H]2CC[C@@H](C)O2)CC1 1113294934 XIVXPGICKKPGCD-KGLIPLIRSA-N 307.394 -0.162 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)CCc2cnn[nH]2)CC1 1113357746 RPIPWBUAEHWPLK-LBPRGKRZSA-N 320.397 -0.428 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)c2ccnnc2)CC1 1113379108 GZBRZJQDZPSCHX-LBPRGKRZSA-N 301.350 -0.628 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN([C@@H]2CCNC2=O)CC1 1113408911 LEHRGYASAPLBGU-ZIAGYGMSSA-N 322.409 -0.510 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)N1CCN(C[C@H](C)O)CC1 1113684037 KGUCFSXJCRONAJ-LBPRGKRZSA-N 312.414 -0.225 30 20 DBED C[C@@H](CNC(=O)[C@]1(C)CNC(=O)C1)N(C)c1ccc(C#N)nn1 1113784605 YTJYNOAFNJFGNB-BONVTDFDSA-N 316.365 -0.185 30 20 DBED Cc1ccc(C(=O)NC2[C@H]3CN(CC(=O)NCC#N)C[C@H]23)o1 1113809788 ORCFVSKRKKIRCN-QWRGUYRKSA-N 302.334 -0.112 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)Cc3cccnc3)[C@@H]2C1 1114138473 DWJQQJPPEZMRDH-ZIAGYGMSSA-N 312.373 -0.580 30 20 DBED C#CCOCCC(=O)N[C@H]1[C@@H]2CN([C@H](C)c3nnnn3C)C[C@@H]21 1114268229 IDACWYPGCFAEDN-NMKXLXIOSA-N 318.381 -0.643 30 20 DBED CN1CCCC[C@@H]1C(=O)NC1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]12 1114467304 WKLHPILZPMFKQO-JHJVBQTASA-N 319.409 -0.843 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)c3cn(C)c(O)n3)[C@H]2C1 1114772876 VALOAKVMXJRQOE-PJXYFTJBSA-N 304.350 -0.565 30 20 DBED COC(=O)NCC(=O)N(C)C[C@@H](C)N=c1cc[nH]cc1C#N 1115620445 CIDULJUXNMAQLS-SNVBAGLBSA-N 305.338 -0.010 30 20 DBED C=C[C@@H](COC)NC(=O)NCCNS(=O)(=O)NC(C)C 1116782457 SPMCIKXZCXUQKC-JTQLQIEISA-N 308.404 -0.681 30 20 DBED C#CC1CCN(C(=O)C(=O)N[C@@H]2CCCS(=O)(=O)C2)CC1 1118220510 XCTIVYULWQHUGC-GFCCVEGCSA-N 312.391 -0.448 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CCNC[C@@H]2C(C)C)nn1 1118928932 RAIKKZIQPXKNRT-CYBMUJFWSA-N 320.397 -0.463 30 20 DBED Cc1nc(N[C@@H](CO)CNC(=O)[C@H](C)C#N)nc(N(C)C)n1 1121212752 ITVFWWQHPCJQDK-PSASIEDQSA-N 307.358 -0.705 30 20 DBED C#CCOCCC(=O)NC[C@@H](CO)Nc1cncc(C#N)n1 1122027248 GXIGQTMPTZEVBS-LBPRGKRZSA-N 303.322 -0.723 30 20 DBED CN(C[C@H](O)CN(C)c1ncccc1C#N)C(=O)CC(N)=O 1125024122 LHDHQZFDSLQCLF-NSHDSACASA-N 305.338 -0.916 30 20 DBED C#CCCCCC(=O)NCCNC[C@H](O)CN1CCCC1=O 1125938753 IWELWJHUUHJOOT-AWEZNQCLSA-N 309.410 -0.131 30 20 DBED C=CCN1C[C@@H](F)C[C@@H]1c1n[nH]c(CNC(=O)CNC(C)=O)n1 1131140058 JDLYTXSRCSCAKZ-WDEREUQCSA-N 324.360 -0.172 30 20 DBED C#CCN1C[C@H](NC(=O)C(C)(C)NS(C)(=O)=O)CC[C@H]1C 1132340755 YLSSCLQTZFKSGY-VXGBXAGGSA-N 315.439 -0.084 30 20 DBED C#CCN1C[C@H](NC(=O)CS(=O)(=O)N(C)C)CC[C@H]1C 1132452931 GVCAKMKQXOQTSC-VXGBXAGGSA-N 301.412 -0.520 30 20 DBED C=CCNC(=O)CNCCNC(=O)C[C@@H](OC)C(F)(F)F 1146934191 UWFFETRZWSEUDF-SECBINFHSA-N 311.304 -0.038 30 20 DBED CCC(=O)NCC(=O)N1CC2(CCN(CC#CCOC)C2)C1 1147224833 BLDNIRZGPVZTPP-UHFFFAOYSA-N 307.394 -0.303 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)[C@H](C)OCC=C)C2 1148881909 ZNWPQAYTXUQVGB-AWEZNQCLSA-N 319.405 -0.139 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CN(Cc2nc(O)n[nH]2)CCCO1 1149408961 SHOVWWFQDGZUOQ-UWVGGRQHSA-N 308.342 -0.623 30 20 DBED N#CCNC(=O)CN1CCCO[C@@H](CNC(=O)/C=C\C2CC2)C1 1149522005 RUIKWSYWOOBZAH-WSNITJDQSA-N 320.393 -0.201 30 20 DBED C=CCNC(=O)NC(=O)CNCCCNC(=O)c1ccccn1 1154137598 SDSBKCSBJWWHSB-UHFFFAOYSA-N 319.365 -0.197 30 20 DBED N#CCSCC(=O)NCCCNCCN1C(=O)CCC1=O 1154819194 DEPNDWABMPVLRC-UHFFFAOYSA-N 312.395 -0.512 30 20 DBED C=CCCO[C@@H](C)C(=O)NCCCN[C@H]1CCC(=O)NC1=O 1155446522 MCAPCWRMTUAKNI-RYUDHWBXSA-N 311.382 -0.131 30 20 DBED C=C[C@](C)(O)CC(=O)NCCCNCCN1C(=O)CCC1=O 1157201645 JHZKJPDPXBFBLS-HNNXBMFYSA-N 311.382 -0.442 30 20 DBED C#CCNC(=O)CNCCCC[C@@H](C)NC(=O)c1[nH]nnc1C 1174616003 XTVUOIFHRSQTDO-LLVKDONJSA-N 320.397 -0.259 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1ccc(C(N)=O)cc1 1175835876 MBXKHSHISQUBGO-UHFFFAOYSA-N 316.361 -0.756 30 20 DBED C#CCCN1CCO[C@@H]2CCN(C(=O)CCNC(N)=O)C[C@@H]21 1177143091 BEYZYWOKHOLLJK-QWHCGFSZSA-N 308.382 -0.630 30 20 DBED COCC#CCN[C@H]1CCN(C(=O)CCc2nc[nH]n2)[C@H]1C 1178435029 UPNSEOZNIVUVRQ-STQMWFEESA-N 305.382 -0.034 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)c2cn(C)c(O)n2)[C@H]1C 1179467061 HCSONZBIANFGBU-QWRGUYRKSA-N 321.381 -0.380 30 20 DBED C[C@H]1[C@@H](NCC#N)CCN1C(=O)CCS(=O)(=O)N(C)C 1180194122 OKEUNZHCADEOLQ-QWRGUYRKSA-N 302.400 -0.630 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@@H](NC[C@@H](O)COC)C1 1183354133 REBGZRJDXUOZRY-KFWWJZLASA-N 309.410 -0.718 30 20 DBED C[C@@H]1CN(C(=O)CN2CCNC(=O)C2)CC[C@@H]1CNCC#N 1184924727 VVXVGHHYSVGGPF-CHWSQXEVSA-N 307.398 -0.984 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)[C@H]2CCc3nn[nH]c3C2)C1 1187069852 TZLBFFHVGHRAOO-QWHCGFSZSA-N 317.393 -0.250 30 20 DBED C#CCOCCC(=O)N1CC[C@H]2CN(CC(=O)N(C)C)C[C@H]21 1187874315 RTJALQSYKTYZJT-UONOGXRCSA-N 307.394 -0.353 30 20 DBED C=CCN1CC[C@H](N(C)[C@H]2CCN(C(=O)CC(=O)NC)C2)C1=O 1189846463 DZSIBVQRWJSUQD-STQMWFEESA-N 322.409 -0.558 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)[C@@H](C)OCC#C)C1 1190095151 QLUKLXWGIBTAMZ-KGLIPLIRSA-N 305.378 -0.693 30 20 DBED C=CC(C)(C)CC(=O)N[C@@H]1CN(CCS(C)(=O)=O)C[C@H]1O 1193327653 JAEMLLHHSJFPDM-VXGBXAGGSA-N 318.439 -0.205 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)[C@H](C)c2cnn(C)c2)C1 1199589467 ABJWIROQOUHDGO-BPLDGKMQSA-N 320.393 -0.665 30 20 DBED C=CCCNC[C@@H]1CN(C(=O)[C@@H]2CN(C)C(=O)N2)CCCO1 1201156710 ZZKNJKLXHFYWCM-OLZOCXBDSA-N 310.398 -0.207 30 20 DBED CC#CCNC1CCN(C(=O)Cn2ccc(O)nc2=O)CC1 1201480214 OELCPGRAJFKFHY-UHFFFAOYSA-N 304.350 -0.447 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)c2cnc(O)n2C)CC1 1201966314 CUNWYIAOVNLYPE-UHFFFAOYSA-N 319.365 -0.931 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)C2CCN(C)CC2)CC1 1202295976 DJWAMGQXRBASAL-UHFFFAOYSA-N 320.437 -0.342 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC[C@H](NCCN2CCNC2=O)C1 1208025996 VYLGIWDSDNOUHL-KBPBESRZSA-N 322.409 -0.370 30 20 DBED C=C(C)CN1C[C@@H](NC(=O)[C@H](C)S(C)(=O)=O)[C@H](OC)C1 1212472552 YBCJAINABREZID-QJPTWQEYSA-N 304.412 -0.189 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2nnnn2C)C[C@H]1OC 1213965810 DCZBFCYZQQWNHE-QJPTWQEYSA-N 324.385 -0.883 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CN(Cc2ccn(C)c(=O)c2)C[C@@H]1O 1219378689 CFWDRZFATRMZCQ-UHTWSYAYSA-N 304.350 -0.794 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)c2nccn2CC)C1 1219531577 WJYRYRBZJFCYFX-OLZOCXBDSA-N 308.382 -0.120 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C2(CCC)CCC2)C1 1220182911 WDNOQYDZPZVOEZ-KGLIPLIRSA-N 321.421 -0.133 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)C2(NC(N)=O)CCCCC2)C1 1220484105 PXFIFNVGTJIKFU-NEPJUHHUSA-N 308.382 -0.848 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@@H](CCCC)NC(N)=O)C1 1221159145 HPWRECUKKHYEFG-UPJWGTAASA-N 310.398 -0.602 30 20 DBED C#CCC1(C(=O)N2C[C@H]3CCN(CC(N)=O)C[C@H]32)CCOCC1 1221609084 ZMCJFJONRVSKDQ-ZIAGYGMSSA-N 319.405 -0.176 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)c2[nH]cnc2C)C1 1222142479 KMBHYQLIHIHVAL-LBPRGKRZSA-N 303.366 -0.338 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CCN(CC(=O)NC)[C@H]2C1 1222661368 FCHSEJFBXWIJRP-MJBXVCDLSA-N 307.394 -0.307 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cncnc1 1225811242 ZLIUADUQRSVDFZ-ZIAGYGMSSA-N 315.377 -0.143 30 20 DBED C[C@@H]1CN(C)C[C@@H]1C(=O)NC1CCN(CC(=O)NCC#N)CC1 1229185322 LGRPALGLXBMNJA-OCCSQVGLSA-N 321.425 -0.596 30 20 DBED N#CCN1CCS(=O)(=O)[C@H](CCNC(=O)CCCF)C1 1230480767 IJSAHVDYYMSTAG-LLVKDONJSA-N 305.375 -0.135 30 20 DBED C#Cc1cncc(C(=O)N2CC[C@H](NC[C@@H](O)COC)C2)c1 1266547620 VYHGWHBZJBOBLU-LSDHHAIUSA-N 303.362 -0.126 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)c2ccc(F)nc2)C1 1318240839 PJVWYYOHBMXSMM-LBPRGKRZSA-N 304.325 -0.226 30 20 DBED CCC[C@@H](C(=O)N1CCC[C@@H]1CNCC#N)S(N)(=O)=O 1319092601 CDXXSPBVFQXSMP-MNOVXSKESA-N 302.400 -0.452 30 20 DBED Cn1c(CC#N)nn(CN2CCS(=O)(=O)CC2)c1=S 1321099213 CZIBRUHVXKGQCX-UHFFFAOYSA-N 301.397 -0.295 30 20 DBED C#CCOCCNC(=O)C(=O)N[C@H](C)c1nnc2n1CCC2 1321476084 IVGCMBQGWNIQHB-SNVBAGLBSA-N 305.338 -0.833 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N1CCC(NC(=O)C2CC2)CC1 1323586993 HMPCSCFUOWRWOI-LBPRGKRZSA-N 323.393 -0.179 30 20 DBED CN(C)c1nccc(CNC(=O)C(=O)N2CCC(C#N)CC2)n1 1324163874 JBAMYXOVTHDBRU-UHFFFAOYSA-N 316.365 -0.079 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)C(=O)NCCCCn2ccnc2)C1 1326117003 SIIFBWCTYXIRFE-OAHLLOKOSA-N 319.365 -0.343 30 20 DBED N#Cc1cccc(NC(=O)C(=O)NCCN2CC[C@H](O)C2)n1 1329053529 PXVJQAOOOIFTHU-NSHDSACASA-N 303.322 -0.925 30 20 DBED N#CCC1(CNC(=O)C(=O)NCCNC(=O)c2cc[nH]n2)CC1 1329803429 XNUSCEDGLSCQCV-UHFFFAOYSA-N 318.337 -0.934 30 20 DBED CCN(CC(C)(C)O)C(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1331890752 KUGDIUFABQYULM-ZDUSSCGKSA-N 322.409 -0.195 30 20 DBED CC(C)N1CCN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)CC1 1332384756 LOTKTOPHXZDNLT-OAHLLOKOSA-N 308.382 -0.584 30 20 DBED C#CCN1CCC[C@H](NC(=O)N(C)CCS(C)(=O)=O)C1 1337017277 XKVRQLBNSZXSMI-LBPRGKRZSA-N 301.412 -0.230 30 20 DBED C#CCSCCNC(=O)C(=O)N[C@@H]1CCS(=O)(=O)[C@@H]1C 1349311915 DLIVAFKLZIIFPS-NXEZZACHSA-N 318.420 -0.839 30 20 DBED COC[C@@H](CNC(=O)C(=O)Nc1cc(C)c(C#N)cn1)OC 1349787900 UOTKGTUJGZMMIT-LLVKDONJSA-N 306.322 -0.022 30 20 DBED CNC[C@H](C)CNC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1353046526 ADKYAXBJMZVUPC-AAEUAGOBSA-N 307.398 -0.843 30 20 DBED C=CCCC[C@@H](N)C(=O)NCC(=O)NCCN1CCOCC1 1353508147 IYORFQLTKVPWFC-CYBMUJFWSA-N 312.414 -0.765 30 20 DBED C#CC[C@@H](CO)NC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C 1354149626 TXEPKLUDXBFKLM-KBPBESRZSA-N 324.425 -0.388 30 20 DBED N#Cc1ccc(C(=O)N2CCOC[C@H]2c2nn[nH]n2)cc1O 1363205803 ZMGKDVGPHJSELQ-JTQLQIEISA-N 300.278 -0.009 30 20 DBED CN1CC[C@@H]2CC[C@H](C1)N2C(=O)Cn1cc(C#N)c(O)nc1=O 1363434675 SLMQMAMLKSSVML-NWDGAFQWSA-N 317.349 -0.484 30 20 DBED CCCS(=O)(=O)CC(=O)N1CC[C@@H](NC(=O)[C@H](C)C#N)C1 1385309602 JWYOHLGOSSRATF-GHMZBOCLSA-N 315.395 -0.312 30 20 DBED CC[C@@H](C(=O)N1CCN(CCNC(=O)[C@H](C)C#N)CC1)N(C)C 1385535760 HBBHTKLKAMMGAJ-KGLIPLIRSA-N 323.441 -0.253 30 20 DBED CNC(=O)NCCC(=O)NC[C@H](NC(=O)[C@H](C)C#N)C1CC1 1385709788 MDKWPSOWBCJLDF-KOLCDFICSA-N 309.370 -0.524 30 20 DBED CC[C@H](CNC(=O)[C@H]1CCC(=O)N1)NC(=O)c1cc(C#N)c[nH]1 1390321108 WKGORRLZIBTXSN-GHMZBOCLSA-N 317.349 -0.210 30 20 DBED CC(C)[C@@H](O)C(=O)N1CCN(CCNC(=O)[C@H](C)C#N)CC1 1396889551 OZCJQUDUOANMMW-CHWSQXEVSA-N 310.398 -0.577 30 20 DBED C[C@H](CNC(=O)Cc1nnn(C(C)(C)C)n1)NC(=O)[C@H](C)C#N 1400070274 SVIZLEMBMDFVHX-NXEZZACHSA-N 321.385 -0.249 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](C)CNC(=O)c1ccc(C(N)=O)nc1 1408220948 CHWDXOJYWQUOBY-DTWKUNHWSA-N 303.322 -0.425 30 20 DBED C[C@H](C#N)C(=O)NCC1CN(C(=O)[C@H](NC(N)=O)C(C)(C)C)C1 1409175708 HPLCGOHYHMBMPO-KOLCDFICSA-N 323.397 -0.196 30 20 DBED C[C@@H](CNC(=O)Cc1nc[nH]n1)N(C)C(=O)c1ccc(C#N)[nH]1 1411709295 KWYYPJBDSJXAKP-VIFPVBQESA-N 315.337 -0.176 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CCN(C(=O)COCc2nncn2C)C1 1427802201 JCICTFDOFZVVEF-MNOVXSKESA-N 320.353 -0.792 30 20 DBED C[C@H](CCNC(=O)c1ncn(C)n1)NC(=O)c1cc(C#N)c[nH]1 1430995258 LVYKVAWWRUSKNU-SECBINFHSA-N 315.337 -0.047 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1noc2c1COCC2 1431537793 ISDWYYZEDNEDIC-DTWKUNHWSA-N 322.321 -0.886 30 20 DBED Cc1nn(C)c(NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)c1C#N 1437525144 ORQOTZXWICMCHJ-UHFFFAOYSA-N 312.293 -0.377 30 20 DBED CCO[C@@H]1C[C@H](NC(=O)Cn2cc(C#N)c(O)nc2=O)[C@H]1OC 1448122448 SLLBKSKWNYXHAK-HOSYDEDBSA-N 322.321 -0.871 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1cnc2cc[nH]c2c1 1452394771 OXCYKFNSUGHVEA-KOLCDFICSA-N 315.333 -0.071 30 20 DBED C=C(Cl)CN1CCN(CCNC(=O)[C@H]2COC(=O)N2)CC1 1479929512 CUIBRVSRIBIOMG-LLVKDONJSA-N 316.789 -0.419 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)CCCn2ccnc2)C1 1489595856 SYDLVFJDYVRBRO-XQQFMLRXSA-N 319.365 -0.489 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CN(C)C(=O)c1cnn2cc[nH]c12 1511587447 TXXWFIKPVWZBCY-ZJUUUORDSA-N 318.337 -0.629 30 20 DBED N#C[C@H]1CN(C(=O)c2cn(CC(=O)O)nn2)CCN1C1CC1 1574480625 NWMZPVLXSDXGHG-JTQLQIEISA-N 304.310 -0.825 30 20 DBED CC#CC[C@H](N)C(=O)N1CCN(c2nc(C)cc(O)n2)CC1 1574962648 NLITULLLNCGZKP-LBPRGKRZSA-N 303.366 -0.120 30 20 DBED N#Cc1nc(N2CCc3nnc(O)cc3C2)cnc1-c1nn[nH]n1 1581879681 UBEGQSJIPPMZEX-UHFFFAOYSA-N 322.292 -0.413 30 20 DBED C#CC1(O)CN(S(=O)(=O)c2ccccc2-c2nn[nH]n2)C1 1588333546 WLOPCXYHPCKIFU-UHFFFAOYSA-N 305.319 -0.765 30 20 DBED C#Cc1cccc(NC(=O)C(=O)N2CC[C@@](O)(C(=O)O)C2)c1 1588523483 MAZKGYGXBDQCNN-HNNXBMFYSA-N 302.286 -0.346 30 20 DBED CC(C)C#CC(=O)NCCNc1nccnc1-c1nn[nH]n1 1589389941 SZPYQWACHUKFAH-UHFFFAOYSA-N 300.326 -0.156 30 20 DBED N#CC1(NC(=O)Cn2cnc(-c3nn[nH]n3)n2)CCCCC1 1592670589 HCGJZSHSPRWKMQ-UHFFFAOYSA-N 301.314 -0.199 30 20 DBED N#CCN(CCC(=O)O)S(=O)(=O)c1cnc2[nH]cncc1-2 1601073500 YMFCIBMIJRUFSX-UHFFFAOYSA-N 309.307 -0.102 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)Nc2cncc(C(=O)O)c2)C1 1605581891 ODUHCDJOWYSWFP-AWEZNQCLSA-N 318.289 -0.405 30 20 DBED N#CCCCCNC(=O)C(=O)N1CCC([C@@H](O)C(=O)O)CC1 1608180494 PVIAEMOJTPXQQC-LLVKDONJSA-N 311.338 -0.519 30 20 DBED CC(=O)N1CCN(C(=O)[C@H](C)N2CC[C@](O)(CC#N)C2)CC1 1649847446 UCNWNWDCTYSFIA-SWLSCSKDSA-N 308.382 -0.584 30 20 DBED CC#CCNC[C@@H]1CCCN(C(=O)CN2CCN(C)C(=O)C2)C1 1752800898 AKGTWXHYPAMALL-HNNXBMFYSA-N 320.437 -0.388 30 20 DBED C#CCN[C@H]1CCC[C@@H](NC(=O)CCS(=O)(=O)NC)C1 1752966811 CMCPFAKQCLQJHE-NWDGAFQWSA-N 301.412 -0.424 30 20 DBED C=CCNC(=O)[C@H](C)N1CC(CNC(=O)c2cc[n+]([O-])cc2)C1 1753396398 QBAPBUPNCVVMKJ-LBPRGKRZSA-N 318.377 -0.328 30 20 DBED C#CCN1CCC(C(=O)NC[C@H](CC)N[C@H](C)C(=O)NC)CC1 1753497797 QRKMXODZUHUWIZ-HIFRSBDPSA-N 322.453 -0.050 30 20 DBED C#CCCCC(=O)NC[C@H]1CN([C@H]2CCN(C)C2=O)CCO1 1753650754 YZSSKXWINQITJH-KBPBESRZSA-N 307.394 -0.162 30 20 DBED N#CCNC(=O)CN1CCO[C@@H](CNC(=O)[C@@H]2C[C@@H]3C[C@@H]3C2)C1 1753652636 LBYKGFBGYAUZHL-DGAVXFQQSA-N 320.393 -0.511 30 20 DBED C=C(C)CCN1CCO[C@@H](CNC(=O)CS(=O)(=O)NC)C1 1753658612 SXSPPACQGUOFTP-LBPRGKRZSA-N 319.427 -0.681 30 20 DBED CCN(CCNCC#CCOC)C(=O)[C@@H]1CCc2nncn2C1 1754085339 YORWNWXUIVFNBO-CQSZACIVSA-N 319.409 -0.072 30 20 DBED N#CCNC(=O)CNC[C@H]1CCCC[C@@H]1NC(=O)c1ncc[nH]1 1754342283 WEGALHIITUMNQL-NEPJUHHUSA-N 318.381 -0.072 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CNC(=O)C12CCCN1CCC2 1754487989 UKVYMYXETHCIER-AWEZNQCLSA-N 318.421 -0.445 30 20 DBED CCN1CCOC[C@H]1C(=O)N(C)C1CN(CC#CCOC)C1 1754577292 QFCSVMVAOCNYMH-HNNXBMFYSA-N 309.410 -0.501 30 20 DBED C=CCCN[C@@H]1CCN(C(=O)CNC(=O)CNC(C)=O)[C@@H](C)C1 1754597678 OFMFLHPUPHSZDC-GXTWGEPZSA-N 324.425 -0.216 30 20 DBED C#CCN(C(=O)[C@@H]1CCN(C)C1=O)C1CCN(CCO)CC1 1754639464 JGIYPVCBDZVVKS-CQSZACIVSA-N 307.394 -0.617 30 20 DBED COCC#CCN1CC[C@@](O)(CNC(=O)c2snnc2C)C1 1754747084 FOUZABIXLSPLQM-CQSZACIVSA-N 324.406 -0.337 30 20 DBED C#CCOc1ccc(C(=O)NCC2(O)CN(C[C@H](C)O)C2)cc1 1754775720 FLQZOFIOPQHOEY-ZDUSSCGKSA-N 318.373 -0.144 30 20 DBED C#CCNC(=O)CN1CCOC[C@H]1CNC(=O)C[C@@H]1CCCO1 1754964160 VXUHUCCCPCOSTJ-KGLIPLIRSA-N 323.393 -0.878 30 20 DBED C#CCNC(=O)CN(C)CCCN(C)C(=O)c1snnc1C 1755033354 RSTCXGAUHHPUAP-UHFFFAOYSA-N 323.422 -0.010 30 20 DBED COCC#CCN(C)CCCN(C)C(=O)[C@H]1CCCNC1=O 1755039547 UGAHETAMPHCDJW-AWEZNQCLSA-N 309.410 -0.057 30 20 DBED C=CCNCC1(O)CCN(C(=O)[C@@H]2CCCN(C(N)=O)C2)CC1 1755150055 DDKCXIDDBRMVJM-CYBMUJFWSA-N 324.425 -0.094 30 20 DBED C#CCNC(=O)CN(C)C[C@@H]1CCCN1C(=O)[C@H](C)NC(C)=O 1755189097 GXLXQDIXXZALCF-JSGCOSHPSA-N 322.409 -0.817 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@H](C)CNC(=O)c1cccc(O)n1 1755297035 ICUIDDNBYGIKAS-NEPJUHHUSA-N 318.377 -0.025 30 20 DBED CCCC[C@H](CNCC#CCOC)NC(=O)[C@H]1CNC(=O)N1 1755359624 GXISVZRSDBPGHJ-CHWSQXEVSA-N 310.398 -0.418 30 20 DBED C#CCNC(=O)CNC[C@H]1C[C@H](NC(=O)[C@H]2C[C@H]3CC[C@H]2O3)C1 1755467203 PDFMHPXTKNIFQB-ARILJUKYSA-N 319.405 -0.212 30 20 DBED C#CCCNCCC[C@H](C)NC(=O)Cn1nc(C)n(C)c1=O 1755524798 PEZQPODGICILBT-LBPRGKRZSA-N 307.398 -0.212 30 20 DBED C=CCOCC(=O)NC[C@@H](C)N(C)C(=O)[C@H]1CCNC(=O)C1 1756010900 KFTXVUDYLIBOGZ-NEPJUHHUSA-N 311.382 -0.322 30 20 DBED C#CCCCC(=O)NC[C@H](CO)NC(=O)c1[nH]cnc1CC 1756515686 NYTVCOKRPCLOQX-LLVKDONJSA-N 306.366 -0.018 30 20 DBED Cc1ncnc(O)c1C(=O)NC[C@H](CO)NC(=O)C#CC1CC1 1756544144 XMPITOHBONZLPK-LLVKDONJSA-N 318.333 -0.889 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C[C@@H](O)CNC(=O)c1[nH]ccc1C 1756662435 GKKZBOKBTUIJBW-OLZOCXBDSA-N 321.377 -0.089 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC=C(CNC(=O)c2nc[nH]n2)CC1 1756778111 ZGLQOTCCLPYBDI-NSHDSACASA-N 317.349 -0.269 30 20 DBED C=CCOCC(=O)N1CCC2(C1)CN(C(=O)CNC(=O)NC)C2 1756835090 UHHLQIXRARODQK-UHFFFAOYSA-N 324.381 -0.821 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@H](NC(=O)C2=CCOCC2)C1 1757167859 YHCUYLXCPRARHA-OLZOCXBDSA-N 310.350 -0.776 30 20 DBED CCN1C[C@H](S(=O)(=O)N[C@@H](CCC#N)C(=O)O)CC1=O 1776874888 RWLSQAHDZXJCIV-BDAKNGLRSA-N 303.340 -0.716 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cncc(O)c1)CCO2 1783056105 NDXOOAPPZNKNPV-INIZCTEOSA-N 315.329 -0.136 30 20 DBED C[C@@H](S)C(=O)N1CC2(CCCN2C(=O)[C@@H]2CCC(=O)N2)C1 1842737688 SGDMLFGKXJHEQE-ZJUUUORDSA-N 311.407 -0.213 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1C[C@@H](O)C1 1847802044 GYSMJDXMLMZGQF-RMEBNNNOSA-N 320.389 -0.003 30 20 DBED N#Cc1ccc(CS(=O)(=O)N[C@H](CC(N)=O)C(=O)O)cc1 21793924 YBFNFEVDPUXNSN-SNVBAGLBSA-N 311.319 -0.694 30 20 DBED C=CCNC(=O)NC(=O)CN(CC)[C@H]1CCS(=O)(=O)C1 71013395 XSGLWLKDAOCNEY-JTQLQIEISA-N 303.384 -0.493 30 20 DBED Cc1n[nH]c(NS(=O)(=O)c2cc(C(N)=O)n(C)c2)c1C#N 180706888 PCMDFKZRNCBJSW-UHFFFAOYSA-N 308.323 -0.172 30 20 DBED CNS(=O)(=O)c1cccc([C@@H](C)NCC(=O)NCC#N)c1 181936763 LDGLXQNBLPWYFC-SNVBAGLBSA-N 310.379 -0.115 30 20 DBED N#C[C@H]1CN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)CCO1 264352042 DFEYBSFFCXPNAP-NSHDSACASA-N 320.334 -0.425 30 20 DBED C=CCNC(=O)CNC(=O)[C@@H](C)Sc1nnnn1C1CC1 271979144 LXSBWTSNAFWFEK-MRVPVSSYSA-N 310.383 -0.093 30 20 DBED C#CCN(CC#N)C(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cnn(C)c1 281633559 ZLASFRDIAWYGFW-UONOGXRCSA-N 315.333 -0.696 30 20 DBED C=CCN1CC[C@@H](N(C)S(=O)(=O)CCCOC(C)=O)C1=O 287300596 JNCZNPROXWJNEF-GFCCVEGCSA-N 318.395 -0.012 30 20 DBED C=C[C@@H](CO)NC(=O)CCSCCC(=O)N[C@H](C=C)CO 292694387 NIDKBZBXFCQZRQ-TXEJJXNPSA-N 316.423 -0.174 30 20 DBED CN1C[C@H](/C(O)=N/C[C@H]2CCCN2S(C)(=O)=O)CC1=O 328820077 QQWOHQIFRBCKLQ-NXEZZACHSA-N 303.384 -0.155 30 20 DBED C[C@H](C/N=C(/O)NC[C@@]1(O)CCOC1)CN1CCN(C)CC1 328844572 PXOPVOXEIHKLMD-HIFRSBDPSA-N 314.430 -0.475 30 20 DBED Cn1nncc1/C(O)=N/[C@H]1CC(=O)N(CCN2CCOCC2)C1 328854046 XJZSJFAJHJQIRX-NSHDSACASA-N 322.369 -0.947 30 20 DBED CN(C)c1noc(C/N=C(/O)CN2CCCS2(=O)=O)n1 329390874 SNQYDBFSQAVVIS-UHFFFAOYSA-N 303.344 -0.372 30 20 DBED C[C@@H]1CN(/C(O)=N/Cc2nnn(C)n2)C[C@@H]1N1CCOCC1 330242045 WJLLMRHEVWLNKU-MNOVXSKESA-N 309.374 -0.723 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@H]2C[C@@]23CCOC3)CC1 332876423 ZOGRURXKFHCHBO-CZUORRHYSA-N 307.394 -0.141 30 20 DBED CCOC(=O)CN(CCOC)C(=O)[C@H](C)n1cnc(C#N)n1 336963825 HDHGPGPACYAVNX-JTQLQIEISA-N 309.326 -0.251 30 20 DBED C=CCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](C(N)=O)C1 337833267 AUTIEILUCQMSTD-JTQLQIEISA-N 322.369 -0.707 30 20 DBED C=CCOCCN1CCN(C(=O)CN2C(=O)CCC2=O)CC1 338963339 OXKOZMALXGQZES-UHFFFAOYSA-N 309.366 -0.518 30 20 DBED COCCS(=O)(=O)c1ccc(C(=O)NCC#CCO)cc1 339184752 KCYRUOXRZFIZAS-UHFFFAOYSA-N 311.359 -0.168 30 20 DBED C=CCNc1ncc(C(=O)N2CC[C@@H](S(N)(=O)=O)C2)s1 339720656 XXKPMZGIQSWXOR-MRVPVSSYSA-N 316.408 0.244 30 20 DBED C[C@@H](CS(C)(=O)=O)N(C)C(=O)CNc1ccc(C#N)cn1 345459039 ZBTXPGODTKNBMD-JTQLQIEISA-N 310.379 0.257 30 20 DBED C=CCNC(=O)CNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] 353293510 OHNMJRONLRFYQU-UHFFFAOYSA-N 314.323 -0.044 30 20 DBED C=CCSCCNC(=O)C(=O)N1[C@H]2CC[C@H]1CC(=O)NC2 355298391 MTQSVTHRYVZUKD-QWRGUYRKSA-N 311.407 -0.099 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCSC[C@@H]1C(=O)O 417449654 ABSRGOGOAGQRQB-DTWKUNHWSA-N 307.397 -0.175 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)CCCCC(=O)NC)CC1 430450296 ACOPKTLCMAHTHU-UHFFFAOYSA-N 324.425 -0.261 30 20 DBED C[C@@H](CN1CCOCC1)N(C)C(=O)CNc1ccc(C#N)cn1 447657077 DEEXSDMGGRCWNU-ZDUSSCGKSA-N 317.393 0.544 30 20 DBED C=CCC[C@H](NC(=O)CCn1ncn(C)c1=O)C(=O)OCC 456601298 FVVBXHRVQBCODB-NSHDSACASA-N 310.354 -0.014 30 20 DBED C#CCN1CCC(C(=O)OCc2nc(N)nc(N(C)C)n2)CC1 490671095 PRPYESJFSDHFEX-UHFFFAOYSA-N 318.381 -0.092 30 20 DBED N#Cc1cc(N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc(N)c1[N+](=O)[O-] 517962638 YONABOFUWSIRNA-JQWIXIFHSA-N 316.321 -0.203 30 20 DBED C[C@H](NC(=O)NCCn1cnc(C#N)n1)[C@H]1CN(C)CCO1 588167409 KWOUACMZXPSGRN-WDEREUQCSA-N 307.358 -0.832 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N1CC[C@H]2NC(=O)CC[C@H]2C1 594849429 LTHDCWKIOLDUSB-GRYCIOLGSA-N 314.411 -0.077 30 20 DBED COC(=O)[C@@H]1CCC[C@@H]1NS(=O)(=O)N1CCO[C@@H](C#N)C1 595404326 VNJULDMJOXGBSX-AXFHLTTASA-N 317.367 -0.613 30 20 DBED COCC1(CNC(=O)C(=O)N2CCN(CCC#N)CC2)CCC1 602269262 ONGLDWCPDMIUDW-UHFFFAOYSA-N 322.409 -0.023 30 20 DBED COc1ccc(NC(=O)C(=O)N2CCO[C@H](C#N)C2)c(OC)n1 609282736 KGQNJFOTHIWFEW-SECBINFHSA-N 320.305 -0.212 30 20 DBED C=C(C)[C@H]1OCC[C@H]1CNC(=O)N(CCO)CCOCCO 637117366 QBLMGHBHCIADDS-UONOGXRCSA-N 316.398 -0.020 30 20 DBED CC#CC[C@H](CO)NC(=O)NCCCN(CC)S(C)(=O)=O 645196463 RDNFQMHJXOLQGY-GFCCVEGCSA-N 319.427 -0.269 30 20 DBED COc1ccc(C(=O)OCC(=O)NCC#N)cc1OCCO 731242423 URHMFBXDELXWLZ-UHFFFAOYSA-N 308.290 -0.137 30 20 DBED CNC(=O)CNC(=S)NN=Cc1cccc(-c2nn[nH]n2)c1 736873066 FPJBWXMFQNNYOU-UHFFFAOYSA-N 318.366 -0.589 30 20 DBED N#C[C@H]1CN(C(=O)COc2cccc(-c3nn[nH]n3)c2)CCO1 737680129 VSHTVYISGNMQPN-LBPRGKRZSA-N 314.305 -0.004 30 20 DBED CN1N=C(C(=O)OCC(=O)N[C@](C)(C#N)C2CC2)CCC1=O 753989873 KCCULSMDCNNHRK-CQSZACIVSA-N 306.322 -0.054 30 20 DBED C#CCCCC(=O)N[C@@H](C)C(=O)N1CCS(=O)(=O)CC1 760256508 NICMAINQRUSUGY-NSHDSACASA-N 300.380 -0.448 30 20 DBED C[C@H](OC(=O)C1CC(=O)NC(=O)C1)C(=O)NC1(C#N)CCC1 787683753 ABVUQBASBGSBKJ-QMMMGPOBSA-N 307.306 -0.467 30 20 DBED C#CCC[C@@H](O)CNC(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O 816567125 QXRRXTOLWUMMHA-UPJWGTAASA-N 304.346 -0.172 30 20 DBED C#Cc1cccc(NC(=O)CNC(=O)C2(n3cnnn3)CC2)c1 822775407 AKNMFKBFCCROGN-UHFFFAOYSA-N 310.317 -0.102 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CC[C@@H](OC)C2)CC1 825968632 XBJVVIRLSJVFST-ZIAGYGMSSA-N 307.394 -0.305 30 20 DBED C#C[C@@H]1COCCN1C(=O)C(=O)N1CCC(CCC(=O)O)CC1 852915669 ZLBLFERFCTWDCY-CYBMUJFWSA-N 322.361 -0.050 30 20 DBED C#CC[C@@H](CO)NC(=O)c1ccc2c(c1)NC(=O)CNC2=O 854540343 AAGVKGMAJALVRO-JTQLQIEISA-N 301.302 -0.518 30 20 DBED C#CCN1CCC[C@H](NC(=O)NCCNS(=O)(=O)CC)C1 884129086 XCWFALFXMAMEEF-LBPRGKRZSA-N 316.427 -0.678 30 20 DBED C#CCN1CCC[C@H](NC(=O)C(=O)Nc2cc(C)nn2C)C1 891606621 OHQIWIMAEFKAHW-LBPRGKRZSA-N 303.366 -0.119 30 20 DBED Cc1nc(CC(=O)N(C)[C@H]2CCN(C(=O)[C@@H](C)C#N)C2)n[nH]1 939397244 NUZGDNMQIVNXOJ-ONGXEEELSA-N 304.354 -0.125 30 20 DBED CCN(C(=O)[C@H]1C[C@H]1C(N)=O)[C@H]1CCN(C(=O)C#CC2CC2)C1 942975498 COXPXJJHROHHCO-MJBXVCDLSA-N 317.389 -0.029 30 20 DBED O=C(NC[C@@H]1CN(C(=O)C#CC2CC2)CCO1)[C@@H]1COCCO1 944490467 YEPRJTWVAUDUSR-KGLIPLIRSA-N 322.361 -0.841 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)c2ccnnc2)C1 944802868 MTACBVXKZMDEQN-JQWIXIFHSA-N 303.322 -0.407 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2cn(C)c(=O)nc2O)C[C@H]1C 948027741 ZCDHPEWVTPNBRU-GHMZBOCLSA-N 304.350 -0.298 30 20 DBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@H](NC(=O)C(N)=O)C1 950947095 HLOHUICZCKZJEY-AVGNSLFASA-N 323.393 -0.050 30 20 DBED C=C(Cl)CN1CC(N(CC)C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 952378144 BYBLSEDJPVXRSF-JTQLQIEISA-N 314.773 -0.130 30 20 DBED C[C@H](C#N)C(=O)N1CC(N(C)C(=O)[C@]2(C)CCNC(=O)C2)C1 954653561 QWBKHZDNARQFEZ-MEBBXXQBSA-N 306.366 -0.268 30 20 DBED C#Cc1ccc(C(=O)N[C@@]2(C)CCN(C(=O)C(N)=O)C2)nc1 957252160 TUDGOTWRZCCQAZ-HNNXBMFYSA-N 300.318 -0.731 30 20 DBED N#CCN1CCC2(CC1)CCN(C(=O)[C@@H]1CNC(=O)N1)CC2 957595476 RCIPLJPWFNPYRB-LBPRGKRZSA-N 305.382 -0.104 30 20 DBED C=CCN1C[C@H](O)[C@H](CNC(=O)c2nc3nccc(C)n3n2)C1 958644385 JIGZRQSMFCQIKQ-NEPJUHHUSA-N 316.365 -0.359 30 20 DBED C#CCCN1C[C@H]2[C@H](NC(=O)c3cn(C)c(=O)nc3O)[C@H]2C1 962531410 CZWWGDCFUKOWJG-IAZYJMLFSA-N 302.334 -0.831 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H](NC(=O)[C@@H]2CCCN2C(N)=O)C1 965988757 KHTFLEZPWNAGGY-UTUOFQBUSA-N 321.381 -0.204 30 20 DBED CC#CCN1C[C@H]2CC[C@H]1CN2C(=O)[C@H]1CC[C@@H](C(N)=O)O1 971809395 URFCXFLVYIOAFW-RFQIPJPRSA-N 305.378 -0.282 30 20 DBED N#CCN1C[C@H]2CC[C@H]1CN2C(=O)c1nccnc1C(N)=O 972092595 JXBRCEJHWLLSIH-VHSXEESVSA-N 300.322 -0.612 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)[C@@H]3CN(C)CCO3)C2)C1 972317184 RZXJVHZPVOKMKC-GOEBONIOSA-N 307.394 -0.747 30 20 DBED CCn1ncc(C(=O)N2CC[C@]3(CN(CC#N)CCO3)C2)n1 972368579 YYRWBXUOKZWTCP-AWEZNQCLSA-N 304.354 -0.262 30 20 DBED C#CCCN1CCO[C@]2(CCN(C(=O)[C@H]3CCCC(=O)N3)C2)C1 972426011 RFPJQPHRDDAFPA-RHSMWYFYSA-N 319.405 -0.018 30 20 DBED COc1ncc(C(=O)N2CC[C@]3(CN(CC#N)CCO3)C2)cn1 972623682 CEEWMOUOJLUIJD-HNNXBMFYSA-N 317.349 -0.074 30 20 DBED CC#CCN1C[C@@H](NC(=O)CN2CCOCC2=O)C(C)(C)C1 974675644 PJFLMMFGQXDOAL-CYBMUJFWSA-N 307.394 -0.305 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)c3cc(=O)n(C)o3)C[C@H]21 974974833 MPTBCXFUEKNDJF-HBNTYKKESA-N 318.333 -0.189 30 20 DBED C=CCn1cccc1C(=O)N[C@H]1[C@@H]2CN(C(=O)CC(N)=O)C[C@@H]21 976696757 XDVIOGBATCIUTI-HBYGRHMLSA-N 316.361 -0.264 30 20 DBED N#Cc1c[nH]c(C(=O)N2C[C@H]3[C@H](NC(=O)c4cnon4)[C@H]3C2)c1 977033046 ZWMBVPXSMJLTFS-GDGBQDQQSA-N 312.289 -0.230 30 20 DBED C#Cc1cncc(C(=O)N[C@H]2[C@@H]3CN(C(=O)c4cnn[nH]4)C[C@@H]32)c1 977157664 MCSYMAJXNLFLEC-IMRBUKKESA-N 322.328 -0.319 30 20 DBED CC#CCN1C[C@H]2[C@H](CNC(=O)c3cn(C)c(=O)nc3O)[C@H]2C1 979073464 QXRGZQGZCHUXIX-CNDDSTCGSA-N 316.361 -0.583 30 20 DBED N#CCN[C@H]1CCC[C@H](NC(=O)Cn2ccc(O)nc2=O)C1 981205223 DXFLTZFAWIJOHB-QWRGUYRKSA-N 305.338 -0.511 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCC[C@@H](NC(=O)C(N)=O)C2)nn1 983607726 XPDZZHHWQDWMQL-VHSXEESVSA-N 320.353 -0.893 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H](N(C)C(=O)c2nnn(C)n2)C1 984584310 GVRFABQPIFKDFB-ZJUUUORDSA-N 305.342 -0.567 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H](N(C)C(=O)c2c[nH]c(=O)cn2)C1 984597968 OGCGSPZLYJLQKV-MNOVXSKESA-N 317.349 -0.007 30 20 DBED C#CCN[C@H]1CCN(C(=O)CCc2nnc(O)nc2O)[C@@H]1C 986462461 MCLNOVCFTTYUNF-ZJUUUORDSA-N 305.338 -0.572 30 20 DBED C#CCN[C@@H]1CCN(C(=O)c2ccc(-n3cnnn3)cn2)[C@@H]1C 986601927 MYINTVCRGGYWTH-DGCLKSJQSA-N 311.349 -0.117 30 20 DBED C#CCCN1CC[C@@]2(NC(=O)Cn3c(O)nnc3O)CCC[C@@H]12 992451309 XQBUWDBAEUOAOP-ABAIWWIYSA-N 319.365 -0.174 30 20 DBED CC#CCN1CC=C(CNC(=O)C2CC(=O)NC(=O)C2)CC1 1001257027 OOJPQSNIHCHLIU-UHFFFAOYSA-N 303.362 -0.189 30 20 DBED Cn1cc(C(=O)NCC2CN(C(=O)C#CC3CC3)C2)nc1O 1004106904 ASJIJLAHJSBJGC-UHFFFAOYSA-N 302.334 -0.273 30 20 DBED NC(=O)[C@@H]1CC[C@H](C(=O)NCC2CN(C(=O)C#CC3CC3)C2)O1 1004412799 VYNDRRYLYIXFNM-QWHCGFSZSA-N 319.361 -0.993 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)COC)C1 1006323666 YUTOOBVJWUNECU-JSGCOSHPSA-N 307.394 -0.307 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)c2nc[nH]n2)C1 1006897595 ONECCDCDJBXYBO-JLLWLGSASA-N 319.365 -0.028 30 20 DBED CN1CC[C@H](N2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)C1=O 1010649058 CFMMITXELSDEMY-AAEUAGOBSA-N 301.350 -0.079 30 20 DBED N#Cc1cc(C(=O)N[C@H]2CCN([C@H]3CCC(=O)NC3=O)C2)c[nH]1 1010687570 GMQUKZVADJYKPX-JQWIXIFHSA-N 315.333 -0.504 30 20 DBED C=C(C)CN1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CNC1=O 1018247471 OGTMPPUYNLPMMZ-TXEJJXNPSA-N 306.366 -0.211 30 20 DBED C[C@H](C#N)C(=O)N1CCCO[C@H](CNC(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1019646931 VQJLABBRVNWTBR-POQQGIQPSA-N 321.377 -0.228 30 20 DBED C=CCN[C@H]1C[C@@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 1022862147 VWWUIXZWLOLXFC-AOOOYVTPSA-N 302.338 -0.506 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ncccc2F)C1 1025295853 RHIODYVVFLEHDP-JMJZKYOTSA-N 306.297 -0.318 30 20 DBED C#CCN(C)[C@H]1CCCN(C(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 1027505795 SMLKFYWXZSWLJG-JSGCOSHPSA-N 315.377 -0.079 30 20 DBED C=CCN1CCC[C@H]1CNC(=O)c1c[nH]nc1S(N)(=O)=O 1028124595 TWIBHAVPSVMZBG-VIFPVBQESA-N 313.383 -0.563 30 20 DBED Cc1ccc(=O)n(CC(=O)N2C[C@@H]3CC[C@H](C2)N3CC#N)n1 1029560339 WVLRASSYOWGJDK-BETUJISGSA-N 301.350 -0.250 30 20 DBED C=CCCN1CC(NC(=O)Cn2nc3n(c2=O)CCCC3)C1 1031213743 IDOWDNXEQQQNCM-UHFFFAOYSA-N 305.382 -0.242 30 20 DBED C=C(C)CN1CCCC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 1034216225 BUGQYJXPAUVGNB-GFCCVEGCSA-N 320.397 -0.076 30 20 DBED C#CCN1CCCC[C@@H](NC(=O)Cn2ccc(O)nc2=O)C1 1034292544 GJZPYNYHRSIPAL-GFCCVEGCSA-N 304.350 -0.447 30 20 DBED C=CCN1CCO[C@H](CNC(=O)[C@@H]2CCCN(C(N)=O)C2)C1 1035435011 LLSGRMBOSBKSES-CHWSQXEVSA-N 310.398 -0.220 30 20 DBED C=CCN1CC[C@H]2CN(C(=O)Cn3nc(C)n(C)c3=O)CC[C@@H]21 1036882051 GDBGVMPLZYSZDJ-KBPBESRZSA-N 319.409 -0.001 30 20 DBED CN(C)CCn1cc(C(=O)N[C@H]2[C@H]3C[C@H]2N(CC#N)C3)cn1 1037621401 XPBGSMSKZNFVJU-YUTCNCBUSA-N 302.382 -0.229 30 20 DBED O=C(C#CC1CC1)NC[C@@]1(O)CCN(C(=O)c2cnon2)C1 1039680357 DSLZRNSMBHVEBM-AWEZNQCLSA-N 304.306 -0.824 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@]1(O)CCN(C(=O)CCC)C1 1040185991 ZHHVYQRFXJYLLW-WMLDXEAASA-N 321.421 -0.036 30 20 DBED Cc1cc(C(=O)N2CC[C@](O)(CNC(=O)[C@H](C)C#N)C2)ncn1 1040759601 BOVWOHKUAMOFQD-BMIGLBTASA-N 317.349 -0.362 30 20 DBED Cc1nc(O)[nH]c1C(=O)N1CC[C@](O)(CNC(=O)[C@H](C)C#N)C1 1040762013 YNOWZVAUVIDVNP-CLAHSXSESA-N 321.337 -0.723 30 20 DBED Cc1cn(C)nc1C(=O)N1CC[C@](O)(CNC(=O)[C@@H](C)C#N)C1 1040764245 VDLINQNOHSSQKT-BONVTDFDSA-N 319.365 -0.419 30 20 DBED Cn1cnc(C(=O)N[C@@H]2CN(c3ncccc3C#N)C[C@H]2O)n1 1041015026 XZPBFZUHTCDQHB-GHMZBOCLSA-N 313.321 -0.939 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)[C@]3(F)CCOC3)C2)cn1 1041304009 FKNKXCJZNJHLSH-NFAWXSAZSA-N 320.324 -0.252 30 20 DBED CNC(=O)CCCC(=O)NCC1(O)CN(C(=O)C#CC(C)C)C1 1042679514 SVTUMDPFLGXOSC-UHFFFAOYSA-N 323.393 -0.748 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(O)CN(C(=O)[C@@H](C)SC)C1 1042806501 HFIDGPPANOAVLN-MFKMUULPSA-N 316.423 -0.246 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(O)CN(C(=O)Cc2ccon2)C1 1042806890 MGILASVDOWQDPA-AWEZNQCLSA-N 323.349 -0.766 30 20 DBED C=C[C@H](C)[C@H](C)C(=O)N1CC(O)(CNC(=O)c2cnnn2C)C1 1042857083 PZCYZRJRJMGOPH-QWRGUYRKSA-N 321.381 -0.424 30 20 DBED C=C(C)CCC(=O)NCC1(O)CN(C(=O)[C@H]2CC[C@H]2C(N)=O)C1 1043315631 QEXBLYVVNIBUDN-NEPJUHHUSA-N 323.393 -0.456 30 20 DBED C[C@@H]1CN(C(=O)[C@H]2CCNC2=O)C[C@H]1Nc1ccc(C#N)nn1 1043433998 XRFBJWQYWRATCJ-ADEWGFFLSA-N 314.349 -0.257 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)[C@H]2CCCCN2C)C1 1043768338 BDPYEKHWGZAOOJ-NWDGAFQWSA-N 308.382 -0.680 30 20 DBED C=C[C@@H](CC)CC(=O)N1CC(O)(CNC(=O)[C@H]2CCNC2=O)C1 1044455458 DNHREESUSXMYHC-RYUDHWBXSA-N 323.393 -0.586 30 20 DBED C=C(C)CCC(=O)N1CC(O)(CNC(=O)[C@H]2CN(C)C(=O)N2)C1 1044475098 LFIALENKZYQVOX-LLVKDONJSA-N 324.381 -0.944 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)c2ccc(C#N)[nH]2)C1 1045541320 SYZLBVXLOICUKY-VIFPVBQESA-N 301.306 -0.651 30 20 DBED C=CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cn2cnnn2)C1 1048214663 PQYCXGGCEORKSH-RYUDHWBXSA-N 322.369 -0.941 30 20 DBED N#CCN1C[C@H]2CN(C(=O)[C@H]3CCc4nncn4C3)C[C@H]2C1 1049231940 PDHZVXBRXLTEPI-RWMBFGLXSA-N 300.366 -0.246 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)c2ccnc(O)c2)C[C@@H]1O 1049387891 BYOPYAFJHMYCPL-USWWRNFRSA-N 318.333 -0.409 30 20 DBED COCCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)C#N)C1 1049388681 OLURQBWPPVUVNT-AVGNSLFASA-N 311.382 -0.007 30 20 DBED C=CCN1CCOC[C@H]1CNC(=O)[C@@H]1CCCCS1(=O)=O 1050953717 KSUMRXPYCKCBHW-OLZOCXBDSA-N 316.423 -0.043 30 20 DBED C#CCN1CCC(C(=O)NC[C@H]2COCCN2CCO)CC1 1051253926 CDQZJFKKNGJNJA-HNNXBMFYSA-N 309.410 -0.859 30 20 DBED Cn1cc(CNC[C@@H]2CN(C(=O)C#CC3CC3)CCO2)nn1 1051608155 AVRHHBQMBYUUGM-CQSZACIVSA-N 303.366 -0.455 30 20 DBED Cn1ncc(CNC[C@@H]2CN(C(=O)C#CC3CC3)CCO2)n1 1051608462 CLJXASCGCZKURK-CQSZACIVSA-N 303.366 -0.455 30 20 DBED Cn1ncnc1CNC[C@@H]1CN(C(=O)C#CC2CC2)CCO1 1051608820 KBULEFQLRDWRBK-CYBMUJFWSA-N 303.366 -0.455 30 20 DBED N#Cc1cnccc1N1CC[C@@H](NC(=O)c2cnon2)[C@@H](O)C1 1051720000 WCKAZMVADPSIED-MFKMUULPSA-N 314.305 -0.294 30 20 DBED C#CCN1CCN([C@H]2CCN(C(=O)[C@H]3CCN(C)C3)C2)CC1 1052117656 WKJRDZKFFPIQOP-HOTGVXAUSA-N 304.438 -0.210 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1C 1052669255 PGZDTYNOTAMBEZ-RYUDHWBXSA-N 322.369 -0.914 30 20 DBED C#Cc1ccc(C(=O)N2C[C@@H](C)[C@@H](CNC(=O)C(N)=O)C2)nc1 1053089202 HFXKYKWQFCSTEB-PWSUYJOCSA-N 314.345 -0.628 30 20 DBED C=CCN1CC2(C1)CN(C(=O)c1cccn3nnnc13)CCO2 1053272126 FSQBICPFUMMWLW-UHFFFAOYSA-N 314.349 -0.163 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)C[C@@H]3CCC(=O)NC3)CO2)C1 1053827716 HFJIRNJHDMMKQZ-UONOGXRCSA-N 319.405 -0.115 30 20 DBED C[C@@H]1CN(C(=O)Cc2nnn(C(C)(C)C)n2)C[C@@H]1NCC#N 1054682929 YKZQZLJXBIXIJT-MNOVXSKESA-N 305.386 -0.069 30 20 DBED CN1CC[C@H](C(=O)N2CCN(c3cnc(C#N)cn3)CC2)C1 1055818690 RMCVJQPKTGBFFO-LBPRGKRZSA-N 300.366 -0.051 30 20 DBED N#Cc1nccnc1N1C[C@H]2[C@H](NC(=O)CN3CCCC3)[C@H]2C1 1056224483 BCRFTIANCSPTGF-JYAVWHMHSA-N 312.377 -0.005 30 20 DBED C=CCCOCC(=O)N1CCC[C@H]2CN(C(=O)C(N)=O)C[C@H]21 1056680268 DUCPEWOPYINHMK-NWDGAFQWSA-N 309.366 -0.486 30 20 DBED N#Cc1nccnc1N[C@@H]1CCN(C(=O)C[C@H]2CCNC2=O)C1 1056716216 GXKJQFHOJLMFLS-GHMZBOCLSA-N 314.349 -0.113 30 20 DBED CN1C[C@@H](C(=O)N2CC[C@@H](N=c3cc[nH]cc3C#N)C2)NC1=O 1056745088 PEUGVKNATDQBJG-YPMHNXCESA-N 314.349 -0.588 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 1056764431 VPBVARCCTOWYAV-PWSUYJOCSA-N 300.322 -0.931 30 20 DBED C[C@@H]1OCCO[C@@H]1C(=O)N1CC[C@@H](N=c2cc[nH]c(C#N)n2)C1 1056813529 WMJAPIXNVQREKW-WDMOLILDSA-N 317.349 -0.413 30 20 DBED N#CCSCC(=O)NCCN(CCO)C(=O)c1ccc[nH]1 1056950367 QOLRQGYFAYSXOU-UHFFFAOYSA-N 310.379 -0.178 30 20 DBED CN(c1ccc(C#N)cn1)[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 1057012722 NNQBXTAITOUHJV-NEPJUHHUSA-N 314.349 -0.328 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)CC[C@H](C)OC 1057193327 DKNLOJUVQXWKOU-ZDUSSCGKSA-N 316.398 -0.059 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)C1(F)CCOCC1 1057900182 OILMWBCRRSBYPW-LLVKDONJSA-N 315.345 -0.398 30 20 DBED C=CCO[C@H](C)C(=O)N(CCO)CCNC(=O)c1cc[nH]n1 1057921829 QOOGUOJGOOONRI-LLVKDONJSA-N 310.354 -0.449 30 20 DBED C#CCO[C@H](C)C(=O)NCCN(CCO)C(=O)[C@@H](F)C(C)C 1058431461 XHTFOLHEHYAVGB-OLZOCXBDSA-N 316.373 -0.044 30 20 DBED CN1C[C@H](C(=O)N2CC[C@H](Nc3cnc(C#N)cn3)C2)CC1=O 1059097773 PASYAGOPPWBCAI-MNOVXSKESA-N 314.349 -0.161 30 20 DBED O=C(C#CC1CC1)NCC[C@H]1CCN(C(=O)Cn2ncnn2)C1 1059696024 XXPVZSJSNKLDJZ-ZDUSSCGKSA-N 316.365 -0.559 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1COCCN1C(=O)[C@H]1CCOC1 1061569843 MZQFGCYNHLFFNP-UONOGXRCSA-N 306.362 -0.220 30 20 DBED CCc1nc(C#N)cc(NC[C@@H]2CCCN2C(=O)C(N)=O)n1 1064995454 DHCDDUGCQJLVFR-JTQLQIEISA-N 302.338 -0.201 30 20 DBED CN(C(=O)c1cc[nH]n1)[C@H]1CN(c2ncccc2C#N)C[C@@H]1O 1065568873 PFEBOLVNIIEXNQ-STQMWFEESA-N 312.333 -0.002 30 20 DBED C=CCOCC(=O)N(C)CCCN(C)C(=O)Cn1cncn1 1067001304 UAYIUFBNMBKEJM-UHFFFAOYSA-N 309.370 -0.212 30 20 DBED C=CCCC(=O)N1CC2(C[C@H](NC(=O)[C@H]3COCCO3)CO2)C1 1068712971 GBYIBTPNTFYAKD-QWHCGFSZSA-N 324.377 -0.146 30 20 DBED N#CCN[C@@H]1CN(C(=O)c2ccnc(F)c2)C[C@@H]1n1ccnn1 1070156253 XWUKTBGQDCDXCN-NEPJUHHUSA-N 315.312 -0.009 30 20 DBED C=CCN[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)C[C@H]1c1cn(C)cn1 1070528109 VOWWOTNMAZCADC-GMXVVIOVSA-N 318.381 -0.829 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2COC(=O)N2)C1 1070681219 BGVOFPRPECWILW-NEPJUHHUSA-N 323.349 -0.758 30 20 DBED CNC(=O)NCCC(=O)N1CCC[C@@H](NC(=O)[C@H](C)C#N)C1 1070690450 SWECEYUAUYVDRM-GHMZBOCLSA-N 309.370 -0.428 30 20 DBED CC(C)(C)C#CC(=O)N1CCC[C@@H](NC(=O)Cn2ncnn2)C1 1070712364 RYMBFNCXVNGPQL-GFCCVEGCSA-N 318.381 -0.170 30 20 DBED N#CCN1CCN([C@@H]2CCCN(C(=O)[C@@H]3CCOC3)C2)C(=O)C1 1071255124 GHSLKBGUSYIGOP-ZIAGYGMSSA-N 320.393 -0.318 30 20 DBED CNC(=O)NCCC(=O)N1C[C@@H](NC(=O)C#CC(C)C)[C@H](C)C1 1072022407 ZTXPOUNGNJXZEB-CHWSQXEVSA-N 322.409 -0.072 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCN(C2CN(C(=O)CC)C2)CC1 1073572651 JACFWILLJCPSKP-ZDUSSCGKSA-N 307.394 -0.210 30 20 DBED C=CCCC(=O)N[C@@H]1CCN(C(=O)Cn2cnnn2)C[C@@H]1C 1073805478 IFZZZLMZLACJIU-NWDGAFQWSA-N 306.370 -0.008 30 20 DBED CC(=O)N[C@@H](C)C(=O)N1CCC(O)(CNC(=O)[C@@H](C)C#N)CC1 1074451590 XWFHKASPJBMWHL-QWRGUYRKSA-N 324.381 -0.860 30 20 DBED C=CCOCC(=O)NCC[C@H](C)NC(=O)[C@@H]1COCCN1C 1075917897 MYVHSNNPHUTTKJ-STQMWFEESA-N 313.398 -0.469 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2ccc(Cn3ccnn3)o2)C1 1077429410 RCINAZVMYXTFFZ-CHWSQXEVSA-N 315.333 -0.673 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)CN2Cc3ccccc3C2=O)C1 1078027683 CNHHLYKYSBDONO-ZIAGYGMSSA-N 314.345 -0.673 30 20 DBED C#CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)CN(C)C(C)=O)C1 1079770471 FBYXVNYLIQWSIJ-GFCCVEGCSA-N 323.393 -0.438 30 20 DBED C#CCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)[C@@H]2COCCO2)C1 1079770830 NCSSSFKVAHOKGC-JSGCOSHPSA-N 324.377 -0.501 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1NC(=O)Cc1ccc(C(N)=O)nc1 1079960097 FKEDAXPVKHGWJD-ZWNOBZJWSA-N 301.350 -0.317 30 20 DBED C#CCOCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)C2CCC2)C1 1081133024 HPEURWCHQUOCRA-ZIAGYGMSSA-N 308.378 -0.238 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cn(C)cn2)C1 1081408908 TVCRLENTXYIIRO-YPMHNXCESA-N 322.365 -0.828 30 20 DBED C#CCN1C[C@@H](NC(=O)c2nc3nccc(C)n3n2)[C@H](OC)C1 1082355652 ICQHZOJYXGRQBH-VXGBXAGGSA-N 314.349 -0.505 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CCc1ncccn1 1083226402 DCYOGPZHSNDOKA-QWHCGFSZSA-N 301.350 -0.156 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)[C@H]2CCCC(=O)N2)C1 1083550931 JYNYQFFMPSLVIF-MXWKQRLJSA-N 301.774 -0.431 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)c2cc(CN(C)C)on2)C1 1083590525 JGMICVVODZOYLB-KGLIPLIRSA-N 306.366 -0.466 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 1083784604 DEKDZFASTHBGAL-QCNOEVLYSA-N 315.801 -0.376 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](NC(=O)c2ccc(=O)n(C)n2)C1 1084029670 MTQKTJRVINMHQP-OLZOCXBDSA-N 306.366 -0.479 30 20 DBED CCCCn1nc(C(=O)N[C@@H]2CN(CC#N)C[C@@H]2O)ccc1=O 1084047017 WCZOTBWTOUURDM-OLZOCXBDSA-N 319.365 -0.658 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)Cn3nc(C)ccc3=O)C[C@@H]2C1 1088177967 KREAKNVBQNUMEN-CABCVRRESA-N 314.389 -0.035 30 20 DBED C[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCN1Cc1nnn(C)n1 1088513600 ZULFTYXLFKOMLR-KOLCDFICSA-N 314.353 -0.197 30 20 DBED C=C(Cl)CN1CC[C@H](NC(=O)c2nccnc2N)[C@@H](O)C1 1090145411 QRWCESJCWYVICA-UWVGGRQHSA-N 311.773 -0.024 30 20 DBED CC(C)(C)n1nnc(C(=O)N[C@@H]2CCN(CC#N)C[C@@H]2O)n1 1090278970 INJVYAVXMAQFIP-ZJUUUORDSA-N 307.358 -0.883 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2cn3c(n2)COCC3)[C@@H](O)C1 1090360065 IZGOWHAYIQKDPH-OCCSQVGLSA-N 318.377 -0.398 30 20 DBED CC(=O)Nc1nc(C(=O)N[C@H]2CCN(CC#N)C[C@@H]2O)cs1 1090380638 FKIJRHWKKXENEF-ONGXEEELSA-N 323.378 -0.210 30 20 DBED C#CCN1CC[C@H](NC(=O)c2ccnc3c2CC(=O)N3)[C@H](O)C1 1090393341 JEMSBBCLNITEIC-QWHCGFSZSA-N 314.345 -0.626 30 20 DBED C#Cc1cncc(C(=O)N[C@H]2CCN(CCOC)C[C@@H]2O)c1 1090558075 CGVCGDIQTGNNOM-GJZGRUSLSA-N 303.362 -0.126 30 20 DBED Cn1ncc2cc(C(=O)N[C@@H]3CCN(CC#N)C[C@@H]3O)cnc21 1090680601 WYSVPTBAKNZCOK-OLZOCXBDSA-N 314.349 -0.343 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1091153098 QWQASFJFLRNIKN-RTXFEEFZSA-N 315.333 -0.948 30 20 DBED CN(C)C(=O)CC(=O)N1CCN(c2ccc(C#N)nn2)CC1 1093200631 UVKLWRSAHXBSKO-UHFFFAOYSA-N 302.338 -0.525 30 20 DBED CN1C[C@@H](C(=O)NCCNc2nccnc2C#N)CCC1=O 1093680077 MYAULPCGTYBUKY-JTQLQIEISA-N 302.338 -0.255 30 20 DBED COc1cc(C(=O)NCCNc2ccc(C#N)nn2)nn1C 1094262945 VVEWMAJBNLIQEY-UHFFFAOYSA-N 301.310 -0.068 30 20 DBED C=CCN1CC[C@@H](N2CC(n3cc(CNC(C)=O)nn3)C2)C1=O 1094266709 DOTOFTACLMPJPV-CQSZACIVSA-N 318.381 -0.442 30 20 DBED Cc1cc(C(=O)N[C@@H]2CC(=O)N(C3CN(CC#N)C3)C2)ncn1 1094726648 VRVOPYXTMQRNSS-LLVKDONJSA-N 314.349 -0.677 30 20 DBED Cc1ccc(C(=O)N[C@H]2CC(=O)N(C3CN(CC#N)C3)C2)nn1 1094735546 REVYTLFNGJJYAY-NSHDSACASA-N 314.349 -0.677 30 20 DBED CCN1C[C@H](C(=O)NCCCN=c2cc[nH]c(C#N)n2)CC1=O 1094847089 NIXSIRHVPRGSHS-LLVKDONJSA-N 316.365 -0.443 30 20 DBED CNC(=O)CC(=O)NC[C@@H](Nc1cnc(C#N)cn1)C1CC1 1096651287 IGESGHKSIFYJRA-LLVKDONJSA-N 302.338 -0.209 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1CCCS1(=O)=O 1097177778 BWUVRYKOBPTVFW-UPJWGTAASA-N 311.407 -0.623 30 20 DBED C[C@@H](CNC(=O)CCn1ccnn1)Nc1ccc(C#N)nn1 1097780150 SYYPGMPLXPYHKN-JTQLQIEISA-N 300.326 -0.053 30 20 DBED Cc1cc(=N[C@@H](C)CNC(=O)Cn2cnnc2O)c(C#N)c[nH]1 1097788367 XLQQGZJSMHSFPY-JTQLQIEISA-N 315.337 -0.403 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCN(C)C(=O)C1)N=c1cc[nH]c(C#N)n1 1098386012 SBIOHFCYRYWKDO-QWRGUYRKSA-N 316.365 -0.445 30 20 DBED C#CCN(CCO)C1CCN(C(=O)C[C@H]2CCN(C)C2=O)CC1 1098401183 HBDHAMBIZWHERR-CQSZACIVSA-N 321.421 -0.227 30 20 DBED C=CCn1cc(C(=O)N2CCC(N(CCO)CCO)CC2)nn1 1098493942 MKYCWEMSGYKIJV-UHFFFAOYSA-N 323.397 -0.645 30 20 DBED N#Cc1cnc(NC[C@H]2CCN(C(=O)CCNC(N)=O)C2)cn1 1098530122 VUCWQNUSZYZRLZ-SNVBAGLBSA-N 317.353 -0.333 30 20 DBED C=CCN1CCC2(CC1)CN(C(=O)[C@@H]1CNC(=O)N1)C[C@H](C)O2 1098631143 QBYZWRZPUQLPSD-STQMWFEESA-N 322.409 -0.064 30 20 DBED CC#CCNCc1cn([C@H]2CCN(C(=O)c3nc[nH]n3)C2)nn1 1098750916 DVFGSBWAALHSLZ-LBPRGKRZSA-N 314.353 -0.404 30 20 DBED C[C@@H](CCNC(=O)Cn1cnnn1)Nc1ccc(C#N)nc1 1098818091 WKFZPOSPZDQABP-JTQLQIEISA-N 300.326 -0.053 30 20 DBED CC(C)CCC(=O)N[C@H]1CCN(CC(=O)NCC#N)C[C@@H]1O 1099663798 SQASBDUKBPZNHM-STQMWFEESA-N 310.398 -0.386 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)c2cc(C)[nH]n2)[C@H](O)C1 1099709443 IICLLDFHNMGASQ-WCQYABFASA-N 321.381 -0.815 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2cscn2)[C@@H](O)C1 1099716334 UOWCJTZLVQUVQL-YPMHNXCESA-N 309.391 -0.042 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)CC(C)(C)O)[C@H](O)C1 1099809509 ISTDBLBBWPDFJJ-VXGBXAGGSA-N 313.398 -0.999 30 20 DBED C=C(C)CCC(=O)N[C@H]1CCN(CCN2CCNC2=O)C[C@H]1O 1099858460 MIGVSEQBPORXFZ-UONOGXRCSA-N 324.425 -0.081 30 20 DBED COCC#CCNC1CC(CNC(=O)c2nccnc2N)C1 1100199423 KCHMFGCANKEUDF-UHFFFAOYSA-N 303.366 -0.193 30 20 DBED Cc1cc(C#N)nc(N(C)CCNC(=O)[C@]2(C)CCNC2=O)n1 1100325600 NYGBUBHHFVEBNP-OAHLLOKOSA-N 316.365 -0.265 30 20 DBED CCN(CCNC(=O)C[C@@H]1CCNC1=O)c1cnc(C#N)cn1 1100635145 CNKKHMWFTQJJKQ-NSHDSACASA-N 316.365 -0.183 30 20 DBED CCC(=O)NCC(=O)NC[C@@H]1CCCN1c1ccc(C#N)nn1 1100810122 PAIOMBKCGTVEAM-LBPRGKRZSA-N 316.365 -0.041 30 20 DBED N#Cc1ccc(N2CCC[C@H]2CNC(=O)Cn2cncn2)nn1 1100833623 XCXJVXZAQJKQIG-LBPRGKRZSA-N 312.337 -0.275 30 20 DBED CCc1nc[nH]c1C(=O)NCC1CC(NCC(=O)NCC#N)C1 1100929912 CRZBVXNCALAEBL-UHFFFAOYSA-N 318.381 -0.290 30 20 DBED CN(CCNc1nccnc1C#N)C(=O)[C@@H]1CCN(C)C1=O 1101908023 ZCHNTGXMZFLUEI-SNVBAGLBSA-N 302.338 -0.303 30 20 DBED C#CCCN1C[C@@H](C)[C@H](CNC(=O)CN(C)C(=O)COC)C1 1102019740 YQVZGXKATBNNNH-ZIAGYGMSSA-N 309.410 -0.201 30 20 DBED CCN(CC)CC(=O)NC[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1102473744 NHZGDBZCYKTIQQ-ZIAGYGMSSA-N 323.441 -0.348 30 20 DBED N#Cc1ccc(N2CCC[C@H](CCNC(=O)CC(N)=O)C2)nn1 1102905785 MGIYFUXHWMBXMW-LLVKDONJSA-N 316.365 -0.054 30 20 DBED CC[C@@H](CNC(=O)Cn1cncn1)Nc1cnc(C#N)cn1 1103085738 GTUBOKDTVBVSLQ-JTQLQIEISA-N 300.326 -0.053 30 20 DBED CC[C@@H](CNC(=O)c1cncnc1O)N=c1cc[nH]c(C#N)n1 1103226104 BGYUOIOXCPGJPZ-VIFPVBQESA-N 313.321 -0.114 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)c2cnon2)C1 1103555312 PWINQJFOTFXWMO-VXGBXAGGSA-N 319.365 -0.493 30 20 DBED C[C@H](CNC(=O)Cn1nccn1)CNc1ccc(C#N)nn1 1104109922 DOQCWWNZQAMWCE-JTQLQIEISA-N 300.326 -0.196 30 20 DBED CNC(=O)CC(=O)NC[C@@H]1CN(c2ccncc2C#N)CCO1 1104308650 QWANTUSOUUGMEP-GFCCVEGCSA-N 317.349 -0.589 30 20 DBED N#CCSCC(=O)N1CC(n2cc(CNCCF)nn2)C1 1105170129 WTPZSHLYXXMPRW-UHFFFAOYSA-N 312.374 -0.023 30 20 DBED C#CCNCc1cn(C2CN(C(=O)c3cnnc(C)c3)C2)nn1 1105221129 ACQIQRTVMTUYAX-UHFFFAOYSA-N 311.349 -0.204 30 20 DBED C#CCNC1CCC2(CC1)CN(C(=O)CNC(C)=O)CCO2 1105453322 GXCJWQBAZGXTRG-UHFFFAOYSA-N 307.394 -0.115 30 20 DBED Cc1nn(C)cc1C(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1 1105764135 XLJNLHNKESJJQL-SNVBAGLBSA-N 315.337 -0.985 30 20 DBED CCCN(C)CC(=O)NC[C@@H](O)CN=c1cc[nH]cc1C#N 1105910047 QKRXVJNIAYKJKQ-ZDUSSCGKSA-N 305.382 -0.394 30 20 DBED CN1CC[C@@H](CC(=O)NC[C@H](O)CNc2cncc(C#N)n2)C1 1105913736 HUWRIICNPLFVBX-WCQYABFASA-N 318.381 -0.421 30 20 DBED CNC(=O)NCCC(=O)N[C@@H](C)CCNc1cncc(C#N)n1 1106317239 VLGCIDFMNCTDIA-JTQLQIEISA-N 319.369 -0.026 30 20 DBED C[C@@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)CCNC(N)=O 1106328341 KGKVMNLSLZMNSZ-VIFPVBQESA-N 305.342 -0.865 30 20 DBED C#CCNC[C@@H]1CN(C(=O)CCN2C(=O)CCC2=O)C[C@H]1C 1106392009 IIUCIBYBUCGGIS-CHWSQXEVSA-N 305.378 -0.157 30 20 DBED CNC(=O)NCC(=O)N[C@@H](C)CCNc1cncc(C#N)n1 1106615933 MRAWNPSHRAMARW-VIFPVBQESA-N 305.342 -0.416 30 20 DBED CC(=O)N[C@@H](C)C(=O)NC/C=C/CN=c1cc[nH]c(C#N)n1 1107021666 XGQIPNSTTNMNLJ-FSIBCCDJSA-N 302.338 -0.621 30 20 DBED C[C@]1(CNC(=O)c2cocn2)CN(CC(=O)NCC#N)CCO1 1107813790 WEPUPTCPXFDZNR-AWEZNQCLSA-N 321.337 -0.865 30 20 DBED C=CCOCCN1CC(N2C[C@H](NC(=O)C(F)F)CC2=O)C1 1108493713 WKRQCHUGSTUGSG-SNVBAGLBSA-N 317.336 -0.145 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)C[C@H]1CCC(=O)NC1 1108574160 XTMLKVLUACMVSQ-WDEREUQCSA-N 316.365 -0.397 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cnccn1 1108873293 IYSHUSFJQFLHRL-DYEKYZERSA-N 313.361 -0.439 30 20 DBED O=C(C#CC1CC1)N[C@H]1C[C@H]2CC[C@@H]1N2[C@H]1CCC(=O)NC1=O 1109258047 YTVQJAOTCBFPRX-RFGFWPKPSA-N 315.373 -0.074 30 20 DBED CC(=O)NCC(=O)N[C@H]1[C@H]2C[C@H]1N(c1cncc(C#N)n1)C2 1109670698 IINRZQUJAWOLEY-PXWWUCIGSA-N 300.322 -0.822 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1[C@H]2C[C@H]1N(c1ccnc(C)n1)C2 1109704574 WUMILIXGOLFMRG-OZVIIMIRSA-N 313.361 -0.382 30 20 DBED N#Cc1ccc(NC2(CNC(=O)[C@@H]3COC(=O)N3)CC2)nn1 1110122007 VJQCZNORKAGRKA-VIFPVBQESA-N 302.294 -0.483 30 20 DBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C1=CCOCC1 1110475604 KRHLEZZPBXEFPT-MCIONIFRSA-N 318.377 -0.306 30 20 DBED N#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCn1cnccc1=O 1111202060 DNDQYUDCQLKWLG-UPJWGTAASA-N 301.350 -0.122 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CCN(c2ccc(C#N)nn2)[C@H](C)C1 1112468163 YUCMQJFNXYMTKL-ZYHUDNBSSA-N 316.365 -0.042 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)CCc2cnc[nH]2)CC1 1112938527 LQWLJSMTAFYNOT-CYBMUJFWSA-N 317.393 -0.376 30 20 DBED CNC(=O)NCCC(=O)N[C@H](C)[C@@H](C)N=c1cc[nH]cc1C#N 1113002595 YKJUYYDYYVLIMH-GHMZBOCLSA-N 318.381 -0.001 30 20 DBED C[C@]1(C(=O)N2CCN(CC(=O)NCC#N)CC2)CCCOC1 1113459762 GXRGRPITTZHZBU-HNNXBMFYSA-N 308.382 -0.413 30 20 DBED CC(C)(C(=O)N1CCN(CC(=O)NCC#N)CC1)c1cnc[nH]1 1113538536 SZTBYNXMMTVRKG-UHFFFAOYSA-N 318.381 -0.529 30 20 DBED CCc1nc(C#N)cc(N(C)[C@H](C)CNC(=O)CC(=O)NC)n1 1113572329 SPCCUSHZUJDBDY-SNVBAGLBSA-N 318.381 -0.012 30 20 DBED C[C@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)N(C)c1cnc(C#N)cn1 1113882463 WVXNKNVFXSASJU-IEBDPFPHSA-N 302.338 -0.589 30 20 DBED CC#CCN1C[C@H]2C(NC(=O)CNC(=O)N3CCCC3)[C@@H]2C1 1114266208 MKMGAVVYCIDMJS-CHWSQXEVSA-N 304.394 -0.139 30 20 DBED CCC(=O)N[C@@H](C)C(=O)N[C@H]1[C@@H]2CN(CC#CCOC)C[C@@H]21 1114317672 YIJKBMLZFBGLNL-RMRHIDDWSA-N 307.394 -0.403 30 20 DBED CC#CCN1C[C@H]2[C@H](NC(=O)CS(=O)(=O)CCOC)[C@H]2C1 1114480233 JVTWCRWDLRIBIL-IMRBUKKESA-N 314.407 -0.883 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)Cn3ccc(C)n3)[C@H]2C1 1114846818 RATAYSPJNSEVDP-STQMWFEESA-N 317.393 -0.460 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)C[C@H]3CCC(=O)N3)[C@@H]2C1 1114966124 WZVQKOSNAFHDSB-IJLUTSLNSA-N 320.393 -0.996 30 20 DBED C=C(C)COCCNC(=O)C(=O)NC1COC(C)(C)OC1 1117357879 XQHMTVJWAPLBNC-UHFFFAOYSA-N 300.355 -0.037 30 20 DBED N#Cc1cccc([C@@H]2CN(C(=O)C(=O)NC3CNC3)CCO2)c1 1117981492 XBLYBNWNDBXOFJ-AWEZNQCLSA-N 314.345 -0.454 30 20 DBED N#CC1(NC(=O)Cn2cnc3c(c2=O)CCNCC3)CCC1 1118134812 GAMGYPAXUMUBKR-UHFFFAOYSA-N 301.350 -0.506 30 20 DBED CO[C@H](CNC(=O)C(=O)N1CC[C@](O)(CC#N)C1)C(F)(F)F 1118218529 IDGYSZDYINUZRT-LDYMZIIASA-N 323.271 -0.443 30 20 DBED C#CCNC(=O)C1CCN(c2nnnn2C[C@@H](C)OC)CC1 1120257369 PAXLFWDHTWEFIK-LLVKDONJSA-N 306.370 -0.326 30 20 DBED Cc1nn(C)cc1C(=O)NC[C@@H](CO)Nc1cncc(C#N)n1 1121212149 BQZFVBKUKJYJNI-NSHDSACASA-N 315.337 -0.407 30 20 DBED Cc1nc(N[C@H](CO)CNC(=O)[C@H](C)NC(N)=O)ccc1C#N 1121375382 BECGPOZHWYUFRI-ONGXEEELSA-N 320.353 -0.793 30 20 DBED CCN(C)CCC(=O)NC[C@@H](CO)N=c1cc(C)[nH]cc1C#N 1122027221 GVMXQHPHAJVJPU-AWEZNQCLSA-N 319.409 -0.086 30 20 DBED C[C@@H]1CC[C@H](C(=O)NC[C@H](CO)N=c2cc[nH]cc2C#N)O1 1122658789 AWXXDFNXTZTBDU-MPKXVKKWSA-N 304.350 -0.168 30 20 DBED C=CCCn1cc(C(=O)NCC(=O)N2CCN(C)CC2)nn1 1123991484 XQFXLRPOXUFFJU-UHFFFAOYSA-N 306.370 -0.642 30 20 DBED Cc1nc(NC[C@@H](O)CN(C)C(=O)c2cnn[nH]2)ccc1C#N 1124898372 ZTFWAODKVPMPDD-LLVKDONJSA-N 315.337 -0.075 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@H](F)CN(CC)CC 1128528404 MDNNBKUIIFQWKO-GFCCVEGCSA-N 302.394 -0.326 30 20 DBED CO[C@H]1CCC[C@@H](CC(=O)NCCNCC(=O)NCC#N)C1 1129143057 OGVQRZLFJNYGQI-OLZOCXBDSA-N 310.398 -0.073 30 20 DBED C#CCCN[C@@H]1CN(C(=O)CCCC(N)=O)C[C@@H]1n1ccnn1 1130153367 MNNBZTWLECEKKU-OLZOCXBDSA-N 318.381 -0.702 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CCc2cncn2C1 1130487433 GPQJBIDSVQSYEP-CHWSQXEVSA-N 317.393 -0.711 30 20 DBED C[C@H](C#N)C(=O)NCc1nc([C@H]2CC[C@@H](CNCCO)O2)n[nH]1 1130770210 XPCXRLNKVXRJHA-OUAUKWLOSA-N 322.369 -0.617 30 20 DBED COCC#CCN1CCNC(=O)CCN(C(=O)C2CC2)CC1 1131321623 VOOHNMUJWDUUPH-UHFFFAOYSA-N 307.394 -0.303 30 20 DBED C#CCCN1CCNC(=O)CCN(C(=O)[C@H](C)NC(C)=O)CC1 1131325462 GMMCSVKISUQCEP-ZDUSSCGKSA-N 322.409 -0.815 30 20 DBED CC(C)(C)C#CC(=O)N1CCC(=O)NCCN(CCO)CC1 1131360229 NMZNNLSBDRPIGI-UHFFFAOYSA-N 309.410 -0.321 30 20 DBED C#CCOCCC(=O)N[C@@H]1CC[C@@H](C)N(CC(=O)NCC#N)C1 1132041774 KJQXMVWMMKOYRE-ZIAGYGMSSA-N 320.393 -0.365 30 20 DBED C#CCCN[C@H](C)C[C@H](C)NC(=O)CN1CCCS1(=O)=O 1134557831 RHWSTWUOKMPOHO-OLZOCXBDSA-N 315.439 -0.082 30 20 DBED C=CCn1cc(C(=O)NCCNCc2nc(C3CC3)n[nH]2)nn1 1134969793 KHDVXYJQEUPFLL-UHFFFAOYSA-N 316.369 -0.021 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)c1cn(CCC)nn1 1135973300 VTCQNGHBZZOSDZ-LLVKDONJSA-N 308.386 -0.302 30 20 DBED CN1C(=O)CC[C@H]1CC(=O)NC[C@H]1CN(CC#N)CCCO1 1150078072 GKFJCVQRPCPYLI-STQMWFEESA-N 308.382 -0.272 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)CNC(=O)C(CC)CC 1153946501 ZVDUILVJLULLAH-LBPRGKRZSA-N 324.425 -0.618 30 20 DBED C#CCNC(=O)CNCC1(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1164490206 DDDCCEPEFJLKTC-VXGBXAGGSA-N 322.365 -0.723 30 20 DBED C#CCNCCCC[C@@H](C)NC(=O)[C@H]1CCN(C)S1(=O)=O 1175644661 OZIWHBJCSUZHMK-CHWSQXEVSA-N 315.439 -0.082 30 20 DBED COCC#CCN[C@H]1CCN(C(=O)[C@@H]2CCNC(=O)C2)[C@H]1C 1178456015 ODOGCVTVKSTZBK-MJBXVCDLSA-N 307.394 -0.259 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2ccnc(OC)c2)C1 1183868521 MVGKSBWLQWGQKP-CYBMUJFWSA-N 316.361 -0.356 30 20 DBED C=CCCC(=O)N1CCC[C@H](n2cc(CNCC(N)=O)nn2)C1 1185907118 DZJVMRIUDUFOGS-ZDUSSCGKSA-N 320.397 -0.017 30 20 DBED C=CCCCNCc1cn([C@H]2CCCN(C(=O)C(N)=O)C2)nn1 1185992315 ITPMYIXGMJMGRU-ZDUSSCGKSA-N 320.397 -0.017 30 20 DBED C#CCOCCC(=O)N1C[C@@H](CNCCO)C2(CCOCC2)C1 1186373391 JGFNAPOFRSOXRH-OAHLLOKOSA-N 324.421 -0.137 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2ccn(C)n2)C1 1187834369 BRKYBPHBYBRIJZ-NWDGAFQWSA-N 303.366 -0.638 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)CN(C)C(C)=O)C1 1188982337 IHJORARDHHVKOY-ZDUSSCGKSA-N 310.398 -0.700 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@@H]1CCN(C(=O)c2ccnn2C)C1 1189232785 QZOPLWYKQPVDSN-QWHCGFSZSA-N 317.393 -0.296 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2ccccc2F)C1 1190700034 CPQAQLWALCYHLO-ZIAGYGMSSA-N 321.352 -0.097 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(Cc2noc(CCC)n2)C[C@H]1O 1191807627 SORLPHVYXUUSHR-VXGBXAGGSA-N 324.381 -0.114 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2coc(C)n2)C[C@H]1O 1192891950 SKFRTWILENBLLG-ZLKJLUDKSA-N 307.350 -0.317 30 20 DBED C[C@H](C#N)C(=O)N1CCC(NC[C@@H](O)Cn2cccn2)CC1 1199870853 YPFMFLPYSAMKNU-TZMCWYRMSA-N 305.382 -0.016 30 20 DBED C#CCC1(C(=O)N2CCCO[C@H](CNCC(N)=O)C2)CCC1 1200679598 CLGHJVHZZGWVOO-CYBMUJFWSA-N 307.394 -0.128 30 20 DBED C#CCNC[C@@H]1CN(C(=O)c2cc(C(N)=O)co2)CCCO1 1201396357 WJDGEKBILGCXLF-GFCCVEGCSA-N 305.334 -0.168 30 20 DBED CN1CCCC[C@H](C(=O)N2CCCO[C@H](CNCC#N)C2)C1=O 1201857698 XARFDMQSPGVJJH-KGLIPLIRSA-N 322.409 -0.024 30 20 DBED C#Cc1ccc(C(=O)N2CCCO[C@H](CNCCO)C2)nc1 1201891725 PNTCUPHTMDLMDR-CQSZACIVSA-N 303.362 -0.124 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)Cn2ccnc2)CC1 1204076779 UBQMCYQPANGTCR-UHFFFAOYSA-N 303.366 -0.787 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)Cc2n[nH]c(C)n2)[C@H](C)C1 1206949416 CMCWHBOZPZQBNC-ZYHUDNBSSA-N 320.397 -0.606 30 20 DBED COCCOC[C@H](O)CN1C[C@@H](NC(=O)C#CC2CC2)[C@H](C)C1 1206951635 CAEQWUGVDULDQW-FVQBIDKESA-N 324.421 -0.140 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2cn(C)nn2)C[C@H]1C 1206959753 BYKITAIINOPXAX-TZMCWYRMSA-N 305.382 -0.209 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)C2(CCOC)CC2)[C@H](C)C1 1207461700 KQQHXCAQTLBCSX-ZIAGYGMSSA-N 321.421 -0.011 30 20 DBED C#CCCCCC(=O)N1CCC[C@@H](NCC(=O)NC(N)=O)C1 1207859794 CZHBQGNARNGUBR-GFCCVEGCSA-N 308.382 -0.045 30 20 DBED CC#CCN[C@H]1CCCN(C(=O)[C@H]2COCCN2C(C)=O)C1 1211162204 ZKPPDWWPFVUPIE-LSDHHAIUSA-N 307.394 -0.162 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N1C[C@@H](NC(C)=O)[C@H](OC)C1 1211741088 HUQDACJXRSSNED-YUSALJHKSA-N 312.370 -0.778 30 20 DBED C=CCCO[C@@H](C)C(=O)N[C@@H]1CN(CC(=O)NC)C[C@H]1OC 1211992490 PFIWETLWIAMUBO-YNEHKIRRSA-N 313.398 -0.471 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(CC(=O)NCCC)C[C@H]1OC 1212032265 SGSIKOAXUHGWAF-CHWSQXEVSA-N 313.398 -0.469 30 20 DBED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)C(=O)C(C)(C)C 1212038349 SNMLVGTUHBBKGG-GHMZBOCLSA-N 324.381 -0.943 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)CCCOC)C[C@H]1C 1214217060 RFWFEESJEFIUSB-HZSPNIEDSA-N 309.410 -0.013 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](NCc2nc(=O)n(C)[nH]2)[C@H](C)C1 1214582072 HYFPKGRLDUEASJ-VXGBXAGGSA-N 305.382 -0.296 30 20 DBED CCC(CC)C(=O)N1CCO[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1217315583 BJEZNOXJDYGOIU-UONOGXRCSA-N 322.409 -0.026 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(C[C@H](C)CC(C)C)C[C@@H]1O 1219487584 YAXFPTUMGWAJHC-KFWWJZLASA-N 323.437 -0.031 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(CC(=O)Nc2ccon2)C[C@@H]1O 1219542119 YZGVPGAZXGVJRZ-NEPJUHHUSA-N 320.349 -0.422 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)CNC(=O)c2ccccc2C)C1 1220930601 ASFPMXMDEBSDSS-CABCVRRESA-N 315.373 -0.481 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)CCCc2nc(C)no2)C1 1220973696 VJQYOZDFYGDCDX-OLZOCXBDSA-N 306.366 -0.115 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3cccn3C)[C@@H]2C1 1221272345 FEIGHGPZZACHHQ-UKRRQHHQSA-N 314.389 -0.079 30 20 DBED C=C[C@](C)(O)CC(=O)N1C[C@H]2CCN(CC(=O)NCC)C[C@H]21 1221517580 DOMOWAIGBCTNQP-IOASZLSFSA-N 309.410 -0.018 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@@H]1CN(C)C(=O)c1cn[nH]c1 1230844426 KXDARUXUWKZQHP-WCQYABFASA-N 303.366 -0.306 30 20 DBED C=CCNC(=O)CN1CC[C@H]1CN(C)C(=O)C1CN(C(C)=O)C1 1233906653 KPATZOZVSGUZNR-AWEZNQCLSA-N 322.409 -0.700 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)[C@H](OC)C1CC1 1234051417 VBBWWWLJEWRABR-UKRRQHHQSA-N 307.394 -0.307 30 20 DBED C[C@@H](O)CN(C(=O)C(=O)NCc1ccc(C#N)cc1)[C@H](C)CO 1257773784 CSFBULFXSIQLCQ-VXGBXAGGSA-N 319.361 -0.235 30 20 DBED C=CCn1cc(C(=O)N2CCC[C@H](CS(N)(=O)=O)C2)nn1 1261498676 MWOVNKJDOCIGMA-JTQLQIEISA-N 313.383 -0.395 30 20 DBED N#C[C@@]1(NC(=O)CN2CCS(=O)(=O)CC2)CCSC1 1319485226 ZZUWJDPNGOTHIE-NSHDSACASA-N 303.409 -0.768 30 20 DBED C=CCn1nnnc1SCC1(O)CCS(=O)(=O)CC1 1319670980 MGHDNACGEODBDC-UHFFFAOYSA-N 304.397 -0.109 30 20 DBED C#C[C@H](NC(=O)C(=O)NCc1nc(C2CC2)no1)[C@@H]1CCCO1 1321891636 XQEUSCUJHGMQQX-QWRGUYRKSA-N 318.333 -0.140 30 20 DBED CN1CC[C@H](N(C)C(=O)CCN/C(O)=C2/N=CC=CC2=O)C1=O 1324029235 KAQBWGZPARHKDH-DZOVYVGFSA-N 320.349 -0.408 30 20 DBED C#Cc1cccc(CNC(=O)C(=O)NCCNC(=O)C2CC2)c1 1325886624 UPCUCITYJKVBGA-UHFFFAOYSA-N 313.357 -0.074 30 20 DBED C=CCN(CCc1ccco1)C(=O)C(=O)NCc1nnn(C)n1 1326788451 DBYZDOFVRUFNFT-UHFFFAOYSA-N 318.337 -0.323 30 20 DBED COC[C@H]1C[C@@H](O)CN1C(=O)C(=O)N1CCC(CC#N)CC1 1326846988 QIHCZAYTNXCFKA-CHWSQXEVSA-N 309.366 -0.253 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)CCO1 1326934218 NSGDRIHGMDLRSV-MGPQQGTHSA-N 320.393 -0.130 30 20 DBED C[C@H]1C(=O)NCCN1C(=O)C(=O)NCCc1ccc(C#N)cc1 1327289553 HJKYUJJEEQLKTA-NSHDSACASA-N 314.345 -0.436 30 20 DBED N#CCCN1CCN(C(=O)C(=O)N2CCC[C@H]2CCO)CC1 1329493680 HVSCJHDOSLBPQY-ZDUSSCGKSA-N 308.382 -0.582 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)NCc1nnn(C(C)(C)C)n1 1329958368 PRBBXRGVJMCYTF-UHFFFAOYSA-N 316.365 -0.471 30 20 DBED CCC(=O)N1CCN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)C1 1331968674 BRCLLCFOJZEWOP-PFONDFGASA-N 320.349 -0.059 30 20 DBED C=CCN(C(=O)C(=O)N[C@@H]1CCS(=O)(=O)[C@@H]1C)C1CC1 1333141881 ZTWRSLPUJOMUOO-MWLCHTKSSA-N 300.380 -0.145 30 20 DBED C=CCN1C(=O)C(=O)N(CC2CCS(=O)(=O)CC2)C1=O 1336746296 WLNXUMCIFQCBSC-UHFFFAOYSA-N 300.336 -0.212 30 20 DBED C[C@H]1CC(=O)NCCN1C(=O)CCN/C(O)=C1\N=CC=CC1=O 1339789519 PFAMOXRKALXIQM-SJHSGFPMSA-N 320.349 -0.360 30 20 DBED C=CCOCCNC(=O)C(=O)N1CCC[C@H](N2CCCC2=O)C1 1347347514 ZUQJHVLJDYITNB-ZDUSSCGKSA-N 323.393 -0.081 30 20 DBED C[C@@H]1OCC[C@]1(O)CNC(=O)C(=O)Nc1ccc(C#N)cn1 1347667895 IMBYXJDWOGHILI-XPTSAGLGSA-N 304.306 -0.452 30 20 DBED C=CC[C@H](CC)NC(=O)C(=O)N1C[C@@H](O)C[C@H](C(=O)OC)C1 1349215715 ZMEQGAYYKUWMPY-SRVKXCTJSA-N 312.366 -0.160 30 20 DBED C[C@]1(C#N)CCCN(C(=O)C(=O)N[C@@H]2CCS(=O)(=O)C2)C1 1352825569 QQYSHYVTFHMXDO-ZWNOBZJWSA-N 313.379 -0.558 30 20 DBED Cc1nc(CCNC(=O)Cn2cc(C#N)c(O)nc2=O)cs1 1361771141 LDLKHWLFSOEDAN-UHFFFAOYSA-N 319.346 -0.056 30 20 DBED COc1ccc(C(=O)NCCn2cc(C#N)c(O)nc2=O)o1 1363286886 LBLIZJXBIDJRPR-UHFFFAOYSA-N 304.262 -0.148 30 20 DBED C[C@H](CNC(=O)c1cc(C#N)c[nH]1)N(C)C(=O)Cn1cncn1 1382955718 REOPDJPNGDZYQI-SNVBAGLBSA-N 315.337 -0.245 30 20 DBED Cc1nnc(N(C)C[C@H](C)C#N)n1CCNS(C)(=O)=O 1390908844 PMPIKIXDQGPVSM-SECBINFHSA-N 300.388 -0.268 30 20 DBED Cc1n[nH]cc1C(=O)N1CCN(CCNC(=O)[C@H](C)C#N)CC1 1396890278 STXFLKOZDNAGSQ-LLVKDONJSA-N 318.381 -0.248 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1c(F)cncc1F 1399817979 BNORQWODUFNLMI-SFYZADRCSA-N 312.276 -0.274 30 20 DBED C=C(Cl)CNC[C@@H](O)CNC(=O)C[C@H]1CCS(=O)(=O)C1 1401545209 SDIMPQLNBGIGDC-GHMZBOCLSA-N 324.830 -0.370 30 20 DBED C[C@H](C#N)C(=O)NCCN(C)C(=O)c1cnn(CCN(C)C)c1 1408673519 ABGFTOKBLKZBGS-GFCCVEGCSA-N 320.397 -0.207 30 20 DBED CC[C@H](C)C[C@@H](CO)NC(=O)Cn1cc(C#N)c(O)nc1=O 1412275763 FRTWIDZUUCYDEG-ONGXEEELSA-N 308.338 -0.266 30 20 DBED CC(=O)N[C@@H](C)C(=O)N1CC[C@H]1CNC(=O)c1cc(C#N)c[nH]1 1417019597 FTKJRGYEZVQNGA-CABZTGNLSA-N 317.349 -0.258 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](C1CC1)N(C)C(=O)CCNC(N)=O 1424902646 QKCFTZDHFOAORL-ONGXEEELSA-N 309.370 -0.442 30 20 DBED Cn1nnc(NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)n1 1426203671 UAXLSURAISAVKV-UHFFFAOYSA-N 313.325 -0.169 30 20 DBED CCS(=O)(=O)N[C@H](C)C(=O)NCCN(C)C(=O)[C@H](C)C#N 1431291642 KUIWMELTRKYNPZ-NXEZZACHSA-N 318.399 -0.952 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCN(C)C(=O)c1cc(C(N)=O)c[nH]1 1431416278 ORDPNNSRUAUTHD-VIFPVBQESA-N 305.338 -0.196 30 20 DBED CCS(=O)(=O)NCC(=O)NC[C@H](C)N(C)C(=O)[C@@H](C)C#N 1442774900 AUNBWJTVPYRVIO-UWVGGRQHSA-N 318.399 -0.952 30 20 DBED CO[C@H](C(=O)N1CC(CNC(=O)[C@@H](C)C#N)C1)c1cnn(C)c1 1450710404 ICXOYMRPGFBIFR-GWCFXTLKSA-N 319.365 -0.158 30 20 DBED CCN1CCOC[C@H]1C(=O)N(C)CCN(C)C(=O)[C@H](C)C#N 1452167795 XJJIJLKFGLQTHT-OLZOCXBDSA-N 310.398 -0.216 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H](C)CCNC(=O)c1cc(C)nn1C 1480752326 QFQKSWJIPLSZLN-AAEUAGOBSA-N 319.409 -0.036 30 20 DBED Cc1nnc2n1C[C@H](C(=O)N(C)CCNC(=O)[C@@H](C)C#N)CC2 1496500469 IUORISCEWNHMCR-CMPLNLGQSA-N 318.381 -0.117 30 20 DBED CNC(=O)c1cccc(C(=O)NCCN(C)C(=O)[C@@H](C)C#N)n1 1528514265 UPDNWCAZTYWYCL-JTQLQIEISA-N 317.349 -0.211 30 20 DBED C=C(CCC(=O)O)C(=O)N(C)[C@@H]1CCN(S(C)(=O)=O)C1 1573325807 OOCAMMXDMDWWDX-SNVBAGLBSA-N 304.368 -0.100 30 20 DBED N#Cc1ccc([C@@H](O)C(=O)N2CCN(C(=O)C(=O)O)CC2)cc1 1574486112 QRJLXYMGEZVOAG-GFCCVEGCSA-N 317.301 -0.653 30 20 DBED COC(=O)[C@H]1C[C@H](Nc2cnc(C#N)c(-c3nn[nH]n3)n2)C1 1579475125 SPVNHVVTTNHYQU-LJGSYFOKSA-N 300.282 -0.108 30 20 DBED N#C[C@H]1CNCC12CC(C(=O)N1CCS(=O)(=O)CCO1)C2 1580042816 BWBCTMDUFIYPKC-AKJDGMEZSA-N 313.379 -0.686 30 20 DBED N#Cc1nc(NC[C@H](O)COCC2CC2)cnc1-c1nn[nH]n1 1581880212 CTWYOFMWSFUYPZ-VIFPVBQESA-N 316.325 -0.272 30 20 DBED N#Cc1ncc(NCC(=O)N2CCCCC2)nc1-c1nn[nH]n1 1581883388 YBWKLKNXPRDCGH-UHFFFAOYSA-N 313.325 -0.047 30 20 DBED C#CC1(O)CN(S(=O)(=O)c2ccc(-c3nn[nH]n3)c(F)c2)C1 1588333350 MZVYBBSBOGKWDI-UHFFFAOYSA-N 323.309 -0.626 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCC[C@@H](CC(=O)O)C1)[C@H]1CCCO1 1588388784 ZYEAWJOJOQRKSB-RWMBFGLXSA-N 322.361 -0.003 30 20 DBED C=C[C@@H](COC)NS(=O)(=O)c1cncc(-c2nn[nH]n2)c1 1588525957 OFJXUIAUKZIDSV-VIFPVBQESA-N 310.339 -0.259 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@]1(C(=O)O)C[C@@H]1S(C)(=O)=O 1588684584 UKSPCSGVLLLPBZ-XXILOJSOSA-N 305.352 -0.682 30 20 DBED C=CC[C@@H](OC(=O)CN1CCC[C@@H](C(=O)OC)C1=O)C(=O)O 1588753781 NHNVURROHOMHIV-NXEZZACHSA-N 313.306 -0.030 30 20 DBED C[C@@]1(C#N)CCCN(C(=O)C(=O)N2CCO[C@@H](C(=O)O)C2)C1 1589181577 ABNAEAKLCMOQNP-YGRLFVJLSA-N 309.322 -0.549 30 20 DBED Cc1ccc(-c2nn[nH]n2)cc1NC(=O)NCC(=O)NCC#N 1592106314 NXQVAVFAZWVYOS-UHFFFAOYSA-N 314.309 -0.064 30 20 DBED CC1=C(C(=O)O)C[C@@H](Cn2c(=O)c(C#N)c(C)n(C)c2=O)O1 1594107047 SLKDSAVQNLWVKU-VIFPVBQESA-N 305.290 -0.125 30 20 DBED C[C@@H]1CN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CC[C@@H]1C(=O)O 1603463410 BABOWQOZJLXGQI-VWYCJHECSA-N 317.367 -0.502 30 20 DBED CN1CCN(C(=O)CNc2ccc(C#N)cn2)C[C@@H](C(=O)O)C1 1606232844 BCOLOLQOCOHRKU-LBPRGKRZSA-N 317.349 -0.160 30 20 DBED O=C(C#CC1CC1)N1CCN(c2cncc(-c3nn[nH]n3)n2)CC1 1606458277 VYYGBXBDSPXXBL-UHFFFAOYSA-N 324.348 -0.281 30 20 DBED O=C(O)COc1ccc(S(=O)(=O)O[C@H]2CNOC2)cc1 1608762642 JURRVMNMYQURRC-VIFPVBQESA-N 303.292 -0.241 30 20 DBED CN(CCCNC(=O)C(C)(C)c1cnc[nH]1)CC(=O)NCC#N 1752097793 AYTAXYUDPBSDOT-UHFFFAOYSA-N 320.397 -0.235 30 20 DBED C=C(Cl)CN1CC[C@H](NC(=O)CC[C@@H]2NC(=O)NC2=O)C1 1752409940 XJBQSSQDGUDPDU-UWVGGRQHSA-N 314.773 -0.082 30 20 DBED COCC#CCN[C@H](CNC(=O)[C@H](C)n1cncn1)C1CC1 1752460928 WKTNJFXFSRLNJX-GXTWGEPZSA-N 305.382 -0.027 30 20 DBED C#CCN1CCC[C@H]([C@@H](C)NC(=O)Cn2c(O)nnc2O)C1 1752839946 FXJXNWWYRZIFLF-MNOVXSKESA-N 307.354 -0.461 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H](C)CNC(=O)c1ccc(O)nn1 1752859264 YWJFDJUPPZRCCE-NXEZZACHSA-N 305.338 -0.972 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)CNC(=O)CC)C[C@H]1C 1753771391 YUGJUQXNMCRFCS-OLZOCXBDSA-N 324.425 -0.359 30 20 DBED C[C@@H](CNCC(=O)NCC#N)NC(=O)c1cc(C(N)=O)cs1 1754296239 GIJFUKFLAZVTIO-QMMMGPOBSA-N 323.378 -0.805 30 20 DBED C=CCNC(=O)CN1CC[C@@H]1CNC(=O)[C@@H]1CN2CCC1CC2 1754483153 WRRYIVQKWLQLKI-HUUCEWRRSA-N 320.437 -0.179 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@@H]1CNC(=O)c1cccnn1 1754498592 XQNYWNIVIAFRMX-NWDGAFQWSA-N 301.350 -0.581 30 20 DBED CC#CCN1CC(N(C)C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)C1 1754579120 FZQPTKTYDSILEG-KGLIPLIRSA-N 307.394 -0.035 30 20 DBED CC#CCN[C@@H]1CCN(C(=O)c2nnc(O)nc2O)[C@H](C)C1 1754596345 FJPNAUWNWVDMMR-NXEZZACHSA-N 305.338 -0.111 30 20 DBED C#CCO[C@H](C)C(=O)N[C@]1(C)CCN(Cc2nnn(C)n2)C1 1754669638 DOSMVDMKROUTPP-BXUZGUMPSA-N 306.370 -0.671 30 20 DBED Cc1cn(C)nc1C(=O)N[C@@]1(C)CCN(CC(=O)NCC#N)C1 1754670960 UAFGCEIKXQUNTL-HNNXBMFYSA-N 318.381 -0.438 30 20 DBED C#CCCN(C)[C@@H](C)CNC(=O)[C@@H](CCC)S(N)(=O)=O 1755309624 FIKCNMSTMZMGMY-NWDGAFQWSA-N 303.428 -0.097 30 20 DBED C=CCn1cc(C(=O)N(C)C[C@H](C)N[C@@H]2CCNC2=O)nn1 1755608768 IQAXBCZSHXACBL-WDEREUQCSA-N 306.370 -0.597 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H](C)CN(C)C(=O)Cc1[nH]cnc1C 1755614781 RHLSHIWNOUSXPO-WCQYABFASA-N 319.409 -0.165 30 20 DBED C=C1CC(C)(C(=O)NC[C@H](CO)NCCN2CCNC2=O)C1 1755637493 AWXVGFCHIHROOD-GFCCVEGCSA-N 310.398 -0.565 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@H](C)N(C(=O)c2ccn(C)c2)C1 1755673004 FJGXQKDVKXZKID-JSGCOSHPSA-N 302.378 -0.033 30 20 DBED COCC#CCN(C)C[C@@H](O)CN(C)C(=O)[C@]1(F)CCOC1 1755805652 YQOMAQXOQJDYAP-HIFRSBDPSA-N 316.373 -0.484 30 20 DBED C#CCOCCC(=O)N1CC([C@@H](C)NC(=O)[C@@H]2CCNC2=O)C1 1756152570 SWNUXCGFDFBLLO-DGCLKSJQSA-N 321.377 -0.875 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H](O)CN(C)C(=O)Cc1cnoc1 1756674482 MYAZGZGFGXKOEF-AAEUAGOBSA-N 323.349 -0.809 30 20 DBED N#CCSCC(=O)N[C@H]1CCN(C(=O)c2cn[nH]c2)C[C@@H]1O 1757562647 PCHRMAPKFLMJBC-QWRGUYRKSA-N 323.378 -0.642 30 20 DBED C#CCNC(=O)CNS(=O)(=O)c1cc(C(=O)O)ccc1C 1776134738 MAPRELYCRWYLRV-UHFFFAOYSA-N 310.331 -0.279 30 20 DBED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)/C=C/c3cnc[nH]3)C2)C1 1784314915 WZYSNTQXQKPSKN-QDLOVBKTSA-N 314.345 -0.114 30 20 DBED N#CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cc[nH]n1)C2 1795084099 YFLJLHKSFPZCHI-QHBPRCKVSA-N 317.349 -0.545 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)c2ccncc2)CC1 76199043 LWTBGKJVCAHLKS-UHFFFAOYSA-N 300.362 -0.021 30 20 DBED C#CCNC(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 173992015 RQEKJMJYBBMMQO-UHFFFAOYSA-N 312.351 -0.535 30 20 DBED CC[C@H](CC#N)NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 183846539 FDBJJQYSQRCSCE-SECBINFHSA-N 318.337 -0.758 30 20 DBED N/C(=N/CCN1CCNC(=O)C1)N[C@@H]1CCOc2ccccc21 262290138 YJJVOXRMWZJBHH-CYBMUJFWSA-N 317.393 -0.154 30 20 DBED CC#CCNC(=O)C(=O)Nc1ccc(CC)c(S(N)(=O)=O)c1 276096431 FMWCGZFQLXLZJZ-UHFFFAOYSA-N 323.374 -0.026 30 20 DBED Cc1nc2n(n1)C[C@@H](NS(=O)(=O)N(C)[C@H](C)CC#N)CC2 283071353 UUGYLMGAHQPKAG-KOLCDFICSA-N 312.399 -0.030 30 20 DBED N#Cc1ncn(CC/N=C(/O)N2CCO[C@@]3(CCCOC3)C2)n1 329379093 PGTVUXWCVVDHIR-AWEZNQCLSA-N 320.353 -0.055 30 20 DBED CN1CCN(/C(O)=N/CCn2cncn2)C[C@H]1c1nccn1C 329961911 OXKTWEDWJZNOMS-LBPRGKRZSA-N 318.385 -0.086 30 20 DBED CC(=O)NC[C@H]1CN(CC(=O)N/C(O)=N/CC(C)C)CCO1 330824173 OJODRYONFRDKOH-LBPRGKRZSA-N 314.386 -0.491 30 20 DBED CC(C)N1C[C@@H](N/C(O)=N/CCCS(C)(=O)=O)CC1=O 331208161 ZGVKIYGYZCUKHJ-JTQLQIEISA-N 305.400 -0.066 30 20 DBED CCN(CCC(=O)OC)S(=O)(=O)N1CCO[C@H](C#N)C1 336930466 ZHCZMLCSPNJHMX-SNVBAGLBSA-N 305.356 -0.659 30 20 DBED CCN(CCC#N)S(=O)(=O)N[C@H](CO)C1CCOCC1 337164172 XIVYSNYXOCGEGK-GFCCVEGCSA-N 305.400 -0.156 30 20 DBED COCCN(CCC#N)S(=O)(=O)NC[C@@H](CO)C(C)C 344811213 OQTKPFXDUFTQRO-LBPRGKRZSA-N 307.416 -0.053 30 20 DBED Cc1nc(S(=O)(=O)NCCC(=O)NCCCC#N)cn1C 345153566 RJWSSUKRJMETGR-UHFFFAOYSA-N 313.383 -0.183 30 20 DBED C=CCNC(=O)CNC(=O)C(=O)Nc1ccnn1C(C)(C)C 347230574 KWSKRQYUFMPCFY-UHFFFAOYSA-N 307.354 -0.005 30 20 DBED C[C@H](CO)N1CCCN(C(=O)CNc2ccc(C#N)cn2)CC1 347251040 YTZUSZAHJWASPD-CYBMUJFWSA-N 317.393 0.280 30 20 DBED COC(=O)c1cc(S(=O)(=O)NCCn2cnc(C#N)n2)c[nH]1 352638512 VCFWBKNAOOFODL-UHFFFAOYSA-N 324.322 -0.757 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CCO[C@H](C)C2)C1=O 354235943 MPUUAXNVFWKGAE-AGIUHOORSA-N 323.393 -0.085 30 20 DBED CC(C)n1cc(C#N)c(NC(=O)C(=O)N(CCO)CC2CC2)n1 356573810 VIZCMRBXMQOAMR-UHFFFAOYSA-N 319.365 0.505 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCC[C@H](O)C(C)C)C1=O 357222623 DOAGJCWMGZFYLV-JTQLQIEISA-N 311.338 -0.514 30 20 DBED C[C@H](C#N)S(=O)(=O)N1CCCC[C@H]1C(=O)N1CCOCC1 416392888 VUOXWKAABNVQAC-NEPJUHHUSA-N 315.395 -0.058 30 20 DBED COC(=O)C[C@@H](C)N1CCN(C(=O)Cn2cnc(C#N)n2)CC1 426871659 OGJJKULNXRLHBY-LLVKDONJSA-N 320.353 -0.754 30 20 DBED C#CCN1CCN(C(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)CC1 490799137 BQMMXVYOKKSYBK-INIZCTEOSA-N 318.377 -0.516 30 20 DBED C#CCN1CCN(C(=O)CN2C(=O)C[C@](C)(CC)C2=O)CC1 490873159 HVWIUHZEFGIMDC-INIZCTEOSA-N 305.378 -0.061 30 20 DBED C=CCN(C(=O)CCNC(=O)OC)[C@@H]1CCS(=O)(=O)C1 491256801 WIOPWOVRPXGHNO-SNVBAGLBSA-N 304.368 -0.066 30 20 DBED C#CCNC(=O)CCNCC1(N2CCOCC2)CCOCC1 491484693 KPJSRTBCCRIRRD-UHFFFAOYSA-N 309.410 -0.403 30 20 DBED CC#CCCNC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C 543607315 YMSDCKSYBNMMNI-UHFFFAOYSA-N 302.334 -0.281 30 20 DBED CN(CCC#N)S(=O)(=O)N[C@@H](Cc1cnn(C)c1)C(=O)O 548224205 UKOVXHWDSGZOPB-JTQLQIEISA-N 315.355 -0.904 30 20 DBED C=CC[C@H](CO)CNC(=O)c1nc(N)nc(N2CCOCC2)n1 572608146 WUQWGJZZEFJSNZ-JTQLQIEISA-N 322.369 -0.795 30 20 DBED CN1CCN(C(=O)C(=O)Nc2cccc(CC#N)c2)CC1=O 577819295 XTXBKOJJLVQQOR-UHFFFAOYSA-N 300.318 -0.008 30 20 DBED Cc1nn(C)c(N2CCN(C(=O)[C@H]3CC(=O)N3)CC2)c1C#N 597551556 DDNZPBACUROQPU-LLVKDONJSA-N 302.338 -0.863 30 20 DBED C=CCCO[C@@H](C)C(=O)N1CCN(S(=O)(=O)N(C)C)CC1 620571578 BDKABRCYPFUNED-LBPRGKRZSA-N 319.427 -0.082 30 20 DBED CC#CC[C@@H](CO)NC(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O 649180861 OEYWXENPUVIHBW-RWMBFGLXSA-N 304.346 -0.172 30 20 DBED N#Cc1cc(-c2nn[nH]n2)c(N)nc1SC[C@H]1CNC(=O)O1 737706239 WWFAWHBYSOOGHY-ZCFIWIBFSA-N 318.322 -0.084 30 20 DBED CNC(=O)[C@@H](C#N)C(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 766615894 GHWVBPYLGFBWJJ-PWSUYJOCSA-N 300.318 -0.115 30 20 DBED C#CCNS(=O)(=O)N1CCN(Cc2ccnc(N)c2)CC1 785770612 ZOZXLRWGMKXTBN-UHFFFAOYSA-N 309.395 -0.751 30 20 DBED C[C@H](C#N)OCCOC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 801844963 OYNIYNYISBQNHD-NPNZPCOPSA-N 322.317 -0.379 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1ccoc1CC(N)=O 803941251 MJFDGWMCBUJCAW-QMMMGPOBSA-N 323.305 -0.136 30 20 DBED C=C[C@H](O)C(=O)O[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)C(C)C 814546442 CJNDHIQBZKNMRB-SRVKXCTJSA-N 312.366 -0.175 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CC[C@@](C)(C(=O)O)C1)[C@@H]1CCCO1 817111679 IEIWMTQWECUOLU-ZIBATOQPSA-N 308.334 -0.393 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)COC(C)C)CC1 831561005 MYSJWQURCBUGLF-UHFFFAOYSA-N 303.384 -0.977 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N[C@H]1C[C@H](C(=O)OC)C1 853978446 FTOHYQCIZMLTMU-MGCOHNPYSA-N 304.368 -0.162 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)COCC=C)CCO1 871461995 NRRPBDOQUWFHRP-CYBMUJFWSA-N 312.366 -0.265 30 20 DBED C#CCOCCNC(=O)N1CC(CNC(=O)C(F)(F)F)C1 875483863 CHGWAHRTBBTCMY-UHFFFAOYSA-N 307.272 -0.044 30 20 DBED C#CC1(O)CN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)C1 890520718 NOBYLLNPWVKERT-UHFFFAOYSA-N 320.326 -0.962 30 20 DBED C=CCOC[C@@H](NC(=O)CNC(=O)N1CCCC1)C(=O)OC 907928872 XQNZCZMQHJOBPE-LLVKDONJSA-N 313.354 -0.348 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cn(C)nn2)C1 938860706 OTKFOYRAEKSJRT-LOWVWBTDSA-N 319.365 -0.263 30 20 DBED C[C@H](C#N)C(=O)N1CCCN(C(=O)C[C@@H]2CCNC2=O)CC1 941287134 ASDPAADTLKDISN-NEPJUHHUSA-N 306.366 -0.267 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2CCN(C(=O)c3ncn(C)n3)C2)c1 942369342 MLCUQGTWAFBUJY-CYBMUJFWSA-N 324.344 -0.164 30 20 DBED O=C(NC[C@H]1CN(C(=O)C#CC2CC2)CCO1)c1ccnnc1 944803269 PBHHCPYOWPMSSP-AWEZNQCLSA-N 314.345 -0.153 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CNC(=O)[C@H]2CNC(=O)N2)CC1 949387700 QYQFIAUZLOVSAS-MWLCHTKSSA-N 307.354 -0.818 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N(C)C(=O)c2cnn[nH]2)C1 954726583 VIWROXRSGMJFPM-PWSUYJOCSA-N 305.338 -0.321 30 20 DBED C[C@]1(NC(=O)c2cc(C#N)c[nH]2)CCN(C(=O)CC(N)=O)C1 956802355 LLIXOHQKAMKJRO-AWEZNQCLSA-N 303.322 -0.517 30 20 DBED C=CCN1C[C@@H](O)[C@H](CNC(=O)c2noc3c2COCC3)C1 958725282 XGLNWIMPNDIAKD-ZYHUDNBSSA-N 307.350 -0.044 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C2CCN(C)CC2)C1 958881152 JHPNQXMFBPTIDV-UBHSHLNASA-N 322.409 -0.482 30 20 DBED CN1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 961927184 FWDJTERBZWAHLD-RDBSUJKOSA-N 305.378 -0.818 30 20 DBED N#CCN1C[C@@H]2C(NC(=O)[C@@H]3OCC[C@@H]3Cn3cccn3)[C@H]2C1 962020620 YVRUBQNTAVQJPJ-UKTARXLSSA-N 315.377 -0.142 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CN(C(=O)[C@@H]3CCNC3=O)C[C@H]2C1 962051362 VSGYSMXXVGZUIR-NNYUYHANSA-N 304.350 -0.801 30 20 DBED C=C(C)CCN1C[C@H]2[C@H](NC(=O)CN3CC(=O)NC3=O)[C@H]2C1 962069466 WMNUXDVDESUNLD-YABSGUDNSA-N 306.366 -0.449 30 20 DBED C[C@H](C#N)C(=O)N1CC2(C[C@H](NC(=O)Cc3cnc[nH]3)CO2)C1 965835612 HPRAFHUADKFRNX-PWSUYJOCSA-N 317.349 -0.402 30 20 DBED Cc1nc[nH]c1C(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 968729809 BHLSDZORGZRGAR-NEPJUHHUSA-N 302.334 -0.567 30 20 DBED N#CCN1CCO[C@]2(CCN(C(=O)C[C@@H]3CCC(=O)NC3)C2)C1 972411426 ZRCYCQSZEYIEFU-XJKSGUPXSA-N 320.393 -0.270 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CCNC3=O)C2)c1 973994531 IHUMUQPMUIEUMD-OUAUKWLOSA-N 315.333 -0.601 30 20 DBED CO[C@H]1C[C@H](C(=O)N[C@@H]2CN(CC#N)CC2(C)C)N(C(C)=O)C1 974888441 VTSUVHDYTSOWOT-BFHYXJOUSA-N 322.409 -0.028 30 20 DBED CCn1nncc1C(=O)N[C@H]1[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]21 976450495 MFWXLGVXOSERFS-SVDPJWKOSA-N 302.338 -0.356 30 20 DBED C#CCN[C@H]1CCC[C@@H](NC(=O)CN2CCN(C)C(=O)C2)C1 981181959 OMOUUSZJLCXJMX-UONOGXRCSA-N 306.410 -0.589 30 20 DBED C=C(Cl)CN1CCCN(C(=O)Cn2ncn(C)c2=O)CC1 981500852 AVUCICWRBIABLK-UHFFFAOYSA-N 313.789 -0.131 30 20 DBED C#CCN1C[C@@]2(C)CN(C(=O)c3nnc(O)nc3O)C[C@@]2(C)C1 982344257 XVFKQZQCTQDCDE-GASCZTMLSA-N 317.349 -0.300 30 20 DBED C#CCN1CC[C@]2(NC(=O)CN3CCOCC3=O)CCC[C@@H]12 991071501 YTIWNWCQUFSMFI-CZUORRHYSA-N 305.378 -0.408 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@@H](NC(=O)C3CC3)[C@@H](O)C2)c1 991195704 VUZYXRICDIFLMG-YPMHNXCESA-N 302.334 -0.012 30 20 DBED CC(=O)N1CCC[C@@H](C(=O)NC2CN(C(=O)C#CC3CC3)C2)C1 995425136 JOFPKXMKYHQHOV-CQSZACIVSA-N 317.389 -0.015 30 20 DBED C#CCNC1CCN(C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)CC1 996501599 MPYKDNAYYOXMKE-GFCCVEGCSA-N 315.377 -0.024 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)[C@H](C)n3cncn3)C2)nc1 997086930 CEQULWZPXDVBKV-NSHDSACASA-N 324.344 -0.144 30 20 DBED C#CCNC1CC(N(C)C(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 999565383 AVRZKHUNFWTLPC-UHFFFAOYSA-N 314.349 -0.717 30 20 DBED Cc1nc(O)nc(O)c1CC(=O)N1CCC[C@@H](NCC#N)C1 1000529880 VYQLOIPGDMIQAQ-SNVBAGLBSA-N 305.338 -0.157 30 20 DBED CN1C(=O)CCC[C@H]1C(=O)NCC1CN(C(=O)C#CC2CC2)C1 1003658758 CLKCVFZPOMBXLM-AWEZNQCLSA-N 317.389 -0.015 30 20 DBED N#CCN1CCC[C@H](NC(=O)Cn2nc3ccccn3c2=O)C1 1008123583 YXSAYDPDSWMDGP-LBPRGKRZSA-N 314.349 -0.400 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCCN([C@@H](C)C(=O)NC)C2)nn1 1008801277 VPNXEGOZAGIPBL-NWDGAFQWSA-N 320.397 -0.207 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1C[C@H]2C(NC(=O)C(F)F)[C@@H]2C1 1012643006 VHCWADOJXKRURG-MXWKQRLJSA-N 311.332 -0.078 30 20 DBED C#Cc1ccc(C(=O)N2C[C@@H](NC(=O)C(N)=O)C[C@H]2C)nc1 1013468241 HPSYJQHFDWGDPG-KOLCDFICSA-N 300.318 -0.733 30 20 DBED C=CCn1cccc1C(=O)N[C@@H]1C[C@@H](C)N(C(=O)C(N)=O)C1 1013981560 CPCKZCBRUPPJGR-GHMZBOCLSA-N 304.350 -0.121 30 20 DBED CC#CCN1CC[C@H](NC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 1015367966 GQUPIQCRQVLWSV-AAEUAGOBSA-N 301.350 -0.421 30 20 DBED N#CCOc1ccc(CN[C@H]2CCN(C(=O)C(N)=O)C2)cc1 1019313490 XJSVDWJUBBVHRS-LBPRGKRZSA-N 302.334 -0.235 30 20 DBED Cc1nn[nH]c1C(=O)NC[C@@H]1CN(C(=O)[C@H](C)C#N)CCCO1 1019636974 XNMUURGFZGUBQS-MWLCHTKSSA-N 320.353 -0.380 30 20 DBED C=CCn1cc(C(=O)NC2C[C@@H]3CC[C@H](C2)N3CC(N)=O)nn1 1021403854 GOUNTNWOUAUHMU-YOGCLGLASA-N 318.381 -0.325 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@H]3CN(C(=O)C(N)=O)C[C@H]32)cn1 1022294549 LKNNLXITEMNRHS-WCQYABFASA-N 312.329 -0.779 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc[nH]2)C1 1023042173 RQPUECVURSMFGF-ZRJCITRHSA-N 319.361 -0.093 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CC34CC4)C[C@H]2O)c[nH]1 1023465964 LCIPBJIAUXHHAE-YNEHKIRRSA-N 314.345 -0.012 30 20 DBED N#Cc1ccc(C(=O)NC[C@@H]2CCN([C@@H]3CCNC3=O)C2)[nH]1 1028491161 STVANWJHWJPUQG-GXFFZTMASA-N 301.350 -0.173 30 20 DBED C#CCCN1CC[C@@H](CNC(=O)c2cc(=O)n3[nH]cnc3n2)C1 1028928610 MICGVOMXYWUUSA-NSHDSACASA-N 314.349 -0.507 30 20 DBED C=C(Cl)CN1CC(NC(=O)C2CC3(C2)NC(=O)NC3=O)C1 1031089730 FSLBVPGFYPUQIT-UHFFFAOYSA-N 312.757 -0.473 30 20 DBED CN(C)C(=O)CN1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]c(C#N)c1 1032362704 OPYQGJJWNNSFNJ-STQMWFEESA-N 301.350 -0.127 30 20 DBED N#CCN1CCO[C@H](CNC(=O)C2CCC(C(N)=O)CC2)C1 1035422656 DNGOMXYHBKRBPU-WXRRBKDZSA-N 308.382 -0.381 30 20 DBED C#CCN1CC2(CCN(C(=O)Cn3c(O)nnc3O)CC2)C1 1035844038 LSYSMNRNTCBVRH-UHFFFAOYSA-N 305.338 -0.753 30 20 DBED N#Cc1cc(C(=O)N[C@H]2[C@H]3C[C@H]2N(CC(=O)NC2CC2)C3)c[nH]1 1037371509 SOYMSTYSBRTFJM-ZBINZKHDSA-N 313.361 -0.033 30 20 DBED C#CCCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1cc(=O)n2[nH]cnc2n1 1037675129 ORVRHBNPQOQJDK-SUZMYJTESA-N 312.333 -0.757 30 20 DBED CC(C)C#CC(=O)NC[C@]1(O)CCN(C(=O)c2cnn(C)n2)C1 1039664437 QCYGZODJFZMFMG-OAHLLOKOSA-N 319.365 -0.832 30 20 DBED C[C@@H]1CN(C(=O)C(N)=O)CC[C@H]1CNc1nccnc1C#N 1040440805 FXYFGSIADGWJAB-ZJUUUORDSA-N 302.338 -0.270 30 20 DBED CC(C)C#CC(=O)N1CC[C@](O)(CNC(=O)[C@H]2CCCN2C)C1 1040494525 FIRYEYOAEAFWJV-PBHICJAKSA-N 321.421 -0.180 30 20 DBED C[C@@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)c2ccc(O)nn2)C1 1040759483 BLCKBWTXQAVUGJ-LKFCYVNXSA-N 319.321 -0.965 30 20 DBED Cc1nccc(C(=O)N2CC[C@](O)(CNC(=O)[C@H](C)C#N)C2)n1 1040766686 RUFIHIQPIRZVOA-BMIGLBTASA-N 317.349 -0.362 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)C2CCOCC2)C1 1041127615 RZKXAGMORDXNFU-LBPRGKRZSA-N 324.377 -0.859 30 20 DBED N#Cc1cc(C(=O)NCC2(O)CN(C(=O)[C@H]3CC34CC4)C2)c[nH]1 1042672334 MJURYFJAOWFJOD-GFCCVEGCSA-N 314.345 -0.010 30 20 DBED CO[C@@H](C(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1)C1CCC1 1042965267 ZKPXYOCZTAMOGX-OAHLLOKOSA-N 320.389 -0.096 30 20 DBED CCc1nn(C)cc1C(=O)NCC1(O)CN(C(=O)[C@H](C)C#N)C1 1043490143 ZIVJMMMHYJUQGN-SNVBAGLBSA-N 319.365 -0.555 30 20 DBED C=CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)Cn2cccn2)C1 1043568828 OYDSCQLFXFTDGN-GFCCVEGCSA-N 322.365 -0.836 30 20 DBED COCC1(C(=O)NCC2(O)CN(C(=O)C#CC3CC3)C2)CCC1 1043921155 XMBHBEZNICZNSI-UHFFFAOYSA-N 320.389 -0.094 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)[C@H](F)C(C)C)C1 1044964053 CRBSMOBUTOAFJQ-VXGBXAGGSA-N 314.357 -0.292 30 20 DBED CC1(NC(=O)[C@H]2CCS(=O)(=O)N2)CCN(CC#N)CC1 1045642891 QZXFDQQCXTYRJH-SNVBAGLBSA-N 300.384 -0.828 30 20 DBED C=CCN1CC[C@H](N2CCN(C(=O)[C@H]3CC(=O)N(C)C3)CC2)C1 1046033762 KGXDJEFXQOUXNV-GJZGRUSLSA-N 320.437 -0.131 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cn(C)nc2COC)C1 1047432995 RJSOOVHZUBAHHN-KBPBESRZSA-N 308.382 -0.130 30 20 DBED C=CCCC(=O)N(C)[C@H]1CN(C(=O)C[C@H]2CCC(=O)N2)C[C@@H]1O 1048523600 PWKZOMIUAJNDJW-AGIUHOORSA-N 323.393 -0.349 30 20 DBED C#CCOCCC(=O)N(C)[C@H]1CN(C(=O)[C@H]2CCCO2)C[C@@H]1O 1048844094 CVDSZQIQWLZESX-MELADBBJSA-N 324.377 -0.765 30 20 DBED C#CCOCCC(=O)N(C)[C@H]1CN(C(=O)C#CC(C)C)C[C@@H]1O 1048848307 WGCCLYOBGNUAIY-GJZGRUSLSA-N 320.389 -0.284 30 20 DBED Cc1nn[nH]c1C(=O)N(C)[C@H]1CN(C(=O)C#CC(C)C)C[C@@H]1O 1049156452 MPYPYFUMHMGXCE-RYUDHWBXSA-N 319.365 -0.584 30 20 DBED C=C[C@](C)(O)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[C@H]2C)C1 1049171584 HSTLBKZMQOZGMO-WSGDXGOYSA-N 310.394 0.000 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)c2ncccc2O)C[C@@H]1O 1049395351 UHALDYZPNXFHNV-NHCYSSNCSA-N 318.333 -0.409 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCN(C)C)C1 1049435853 UAWQKMXFSGRXGS-KBPBESRZSA-N 309.410 -0.372 30 20 DBED C=CCOCC(=O)N[C@@H](C)[C@H]1CCN(C(=O)CNC(N)=O)C1 1049984071 QNELPBYVOCFDMZ-QWRGUYRKSA-N 312.370 -0.790 30 20 DBED C=CCN1C[C@@H]2CCCN(C(=O)c3cn(CC(N)=O)nn3)[C@@H]2C1 1050208416 KKVKTZASODYMHY-WCQYABFASA-N 318.381 -0.514 30 20 DBED CC#CCN1CCC2(CC1)CN(C(=O)CN1C(=O)CNC1=O)C2 1050748127 GPVUHAWGTLFYOD-UHFFFAOYSA-N 318.377 -0.514 30 20 DBED N#CCN1CCOC[C@@H]1CNC(=O)[C@@H]1CCc2cncn2C1 1050991104 UTLNAZNAKFOKLQ-OCCSQVGLSA-N 303.366 -0.214 30 20 DBED N#CCN1CCOC[C@H]1CNC(=O)c1nnc2ccccc2n1 1051028590 SGOWGSFZNWZHJE-LLVKDONJSA-N 312.333 -0.021 30 20 DBED C=CCN1CCOC[C@H]1CNC(=O)C1CCS(=O)(=O)CC1 1051143333 FOYOUTNVYSQGHZ-CYBMUJFWSA-N 316.423 -0.186 30 20 DBED CC#CCN1CCOC[C@@H]1CNC(=O)c1cnc(OC)nc1 1051193707 KOOUAVQSKBXAPL-ZDUSSCGKSA-N 304.350 -0.061 30 20 DBED C=CCN1CCN([C@@H]2CCN(C(=O)C(C)(C)C(N)=O)C2)CC1 1052040680 DXRCALAJTDSBBU-CYBMUJFWSA-N 308.426 -0.098 30 20 DBED N#Cc1nccnc1NC1CC(CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 1052089398 QRNUUPHTOZSHCS-LXKPXOPUSA-N 314.349 -0.224 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCCN(CC(N)=O)CC2)nn1 1052775267 RXPWEZNCJBYAOH-NSHDSACASA-N 306.370 -0.466 30 20 DBED CC(C)C#CC(=O)NC1CCN(CCNC(=O)CC(N)=O)CC1 1055548870 XWPZAYWHBYPVTH-UHFFFAOYSA-N 322.409 -0.782 30 20 DBED N#Cc1ccc(N2CCN(C(=O)c3cnnc(O)c3)CC2)nn1 1055932137 KEJNJMBECTWVOV-UHFFFAOYSA-N 311.305 -0.194 30 20 DBED N#Cc1cnccc1N1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 1055998611 KFLUUNLKOBKTDT-NSHDSACASA-N 300.322 -0.717 30 20 DBED Cn1cc(C(=O)N[C@H]2[C@@H]3CN(c4ccnc(C#N)n4)C[C@@H]32)cn1 1056136232 VYCNKCLSKVNTQN-YABSGUDNSA-N 309.333 -0.054 30 20 DBED N#Cc1ccc(N2C[C@H]3[C@H](NC(=O)[C@H]4C[C@H]4C(N)=O)[C@H]3C2)nn1 1056407438 SEOPIKDBUGPFJW-OQEOFVATSA-N 312.333 -0.980 30 20 DBED C=C(C)C(C)(C)C(=O)NCCN(CCO)C(=O)Cn1cnnn1 1056933392 ZOFQDQZURYGXLP-UHFFFAOYSA-N 324.385 -0.788 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)[C@@H](C)n1cccn1 1057050107 YOLMDNZPAMFXKL-NWDGAFQWSA-N 307.354 -0.459 30 20 DBED N#Cc1cnccc1N1CCCN(C(=O)Cn2ncnn2)CC1 1057182675 VLYFKYHPFGRLIP-UHFFFAOYSA-N 312.337 -0.321 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)[C@@H](C)NC(C)=O 1057439621 UPKBTJAPCXGVKZ-GFCCVEGCSA-N 311.382 -0.748 30 20 DBED C=C[C@@](C)(O)CC(=O)N(CCO)CCNC(=O)COCC 1057450551 TVXVNGSZWHLXRZ-CQSZACIVSA-N 302.371 -0.713 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)[C@@H]1CCCOCC1 1057459378 IMWFEQLGVTZCBA-CHWSQXEVSA-N 311.382 -0.100 30 20 DBED C=C[C@H](C)[C@H](C)C(=O)NCCN(CCO)C(=O)c1cnnn1C 1057474167 CWJBAEZMYRRZKM-RYUDHWBXSA-N 323.397 -0.176 30 20 DBED O=C(NCCN(CCO)C(=O)C#CC1CC1)C1=COCCO1 1057531553 UAKAGPGEVAFIPG-UHFFFAOYSA-N 308.334 -0.775 30 20 DBED C=CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)C#CC1CC1 1057537358 APICZUXFPGUNTF-ZDUSSCGKSA-N 308.378 -0.072 30 20 DBED C#CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)CCCF 1057587864 NYAPGNYTEJZSMK-LBPRGKRZSA-N 302.346 -0.289 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)[C@H](C)CCOC 1057665673 WZVYCBFNPYVITR-CYBMUJFWSA-N 316.398 -0.201 30 20 DBED C#CCNC(=O)CC(=O)NCCN(CCO)C(=O)CCC(=C)C 1057804882 YPEJZNUVKWVJEW-UHFFFAOYSA-N 323.393 -0.581 30 20 DBED Cc1cncn1CC(=O)N(CCO)CCNC(=O)C#CC1CC1 1058111449 YOKIJSMQGQIWFG-UHFFFAOYSA-N 318.377 -0.458 30 20 DBED CN1CCO[C@H](C(=O)N[C@H]2CCN(c3ccc(C#N)cn3)C2)C1 1058316738 GPYXLQSUGVXGAN-KBPBESRZSA-N 315.377 -0.021 30 20 DBED C=C(C)C[C@@H](C)C(=O)NCCN(CCO)C(=O)Cc1nc[nH]n1 1058891570 MFHWKHZCCGVESR-GFCCVEGCSA-N 323.397 -0.113 30 20 DBED CC(=O)NCC(=O)N1CCC2(CC1)CN(C(=O)[C@H](C)C#N)C2 1061112584 GWWWSPGPJQBXJI-LLVKDONJSA-N 306.366 -0.267 30 20 DBED CCCC(=O)NCC(=O)NC[C@@H]1COCCN1C(=O)[C@H](C)C#N 1061373935 SVDVINFZAGQODU-VXGBXAGGSA-N 324.381 -0.594 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)c1ccn(C)n1 1061852465 IPORMCMUKPPTKJ-MNOVXSKESA-N 305.338 -0.463 30 20 DBED N#Cc1c[nH]ccc1=NCC[C@H]1CCCN(C(=O)C(N)=O)C1 1063293471 XZJLLYFOHWWXNC-LLVKDONJSA-N 301.350 -0.099 30 20 DBED N#Cc1ccc(NC[C@H]2CCCC[C@@H]2NC(=O)C(N)=O)nn1 1064189841 UPJHSRYQNGUNFH-KOLCDFICSA-N 302.338 -0.080 30 20 DBED CC(C)C#CC(=O)N1CCO[C@H](CNC(=O)[C@@H]2COCCO2)C1 1065128930 HCHQCKZGBHCFFX-KGLIPLIRSA-N 324.377 -0.595 30 20 DBED C[C@@]1(NC(=O)[C@H]2COC(=O)N2)CCN(c2cncc(C#N)n2)C1 1065250616 HFAANONPIXGJGA-QMTHXVAHSA-N 316.321 -0.458 30 20 DBED C#CCOCCC(=O)N(C)CCCN(C)C(=O)Cn1nccn1 1067427177 FJYJWCPJFZGBNX-UHFFFAOYSA-N 321.381 -0.375 30 20 DBED C[C@H](C#N)C(=O)N(C)CCCN(C)C(=O)CN1C(=O)CNC1=O 1068060215 HFGBIYWZRKCSAZ-SNVBAGLBSA-N 323.353 -0.995 30 20 DBED C#CCCCC(=O)N[C@@H]1COC2(C1)CN(C(=O)c1nc[nH]n1)C2 1068836976 QQSNQCJPLWMQJY-NSHDSACASA-N 317.349 -0.292 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2cn(C)cn2)C1 1069909945 XMXMZIJHCACBJJ-YPMHNXCESA-N 301.354 -0.147 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)c2cnn[nH]2)CCOCC1 1070234020 KTAILPVASLOAOW-VIFPVBQESA-N 306.326 -0.640 30 20 DBED C#CCN1CC[C@H](c2n[nH]cc2CNC(=O)c2cn(C)nn2)C1 1070408636 XUKARRTWYUCPRO-NSHDSACASA-N 313.365 -0.109 30 20 DBED CC#CCN1CCNC(=O)CCN(C(=O)[C@H]2CCOC2)CC1 1070947125 KJXWOEVYUIQVHU-AWEZNQCLSA-N 307.394 -0.303 30 20 DBED C[C@H]1CN(C(=O)c2cnnn2C)C[C@]2(CCN(CC#N)C2)O1 1071166910 PPDCHHIQXIFUEU-SMDDNHRTSA-N 304.354 -0.356 30 20 DBED C=CCCOCC(=O)N[C@@H]1CCCN(C(=O)[C@H]2CNC(=O)N2)C1 1071207910 OUJMIFKXITVWDL-VXGBXAGGSA-N 324.381 -0.632 30 20 DBED C#CCOCCC(=O)N[C@H]1CN(C(=O)Cc2cc[nH]n2)C[C@@H]1C 1071851544 YYYSHYLTALGDBG-JSGCOSHPSA-N 318.377 -0.045 30 20 DBED C#CCCCC(=O)N1C[C@H](C)[C@H](NC(=O)CCNC(N)=O)C1 1071991279 ICBNCFQRCPQVHV-NWDGAFQWSA-N 308.382 -0.189 30 20 DBED C[C@H]1CN(C(=O)c2ncn(C)n2)C[C@@H]1NC(=O)C#CC1CC1 1072015088 YKHZIPKYKYGMCN-JQWIXIFHSA-N 301.350 -0.195 30 20 DBED C=CCCCC(=O)N[C@H]1CN(C(=O)Cn2ncnn2)C[C@H]1C 1072162145 VOMHADZYYCOPCH-NEPJUHHUSA-N 306.370 -0.008 30 20 DBED C[C@H]1CN(C(=O)c2nnn(C)n2)C[C@@H]1NC(=O)C#CC1CC1 1072542820 BPLUKDBHKQGGCG-ONGXEEELSA-N 302.338 -0.800 30 20 DBED C[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1NC(=O)CSCC#N 1072635028 CRTYELAHFRYCMG-NXEZZACHSA-N 324.406 -0.528 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](NC(=O)CNC(N)=O)C(C)(C)C1 1073306385 JKOUGAQLKMUKCE-ZJUUUORDSA-N 309.370 -0.442 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](NC(=O)CCNC(N)=O)C(C)(C)C1 1073392643 VPQHGCPIQQTWMF-MNOVXSKESA-N 323.397 -0.052 30 20 DBED C#CCCCC(=O)N1CC[C@@H](NC(=O)CNC(N)=O)[C@@H](C)C1 1073704540 JFUGATCWQBVFSU-NWDGAFQWSA-N 308.382 -0.189 30 20 DBED C=C(Cl)CN1CCCO[C@H](CNC(=O)c2nnn(C)n2)C1 1073732189 JBLFEPLYQZBRRI-SNVBAGLBSA-N 314.777 -0.217 30 20 DBED C=CCOCC(=O)N1C[C@H]2CCN(C(=O)C(N)=O)CC[C@H]2C1 1074360325 SZHLTYRUXXRYTH-TXEJJXNPSA-N 309.366 -0.629 30 20 DBED C=CCCC(=O)N1CCC(O)(CNC(=O)CC(=O)NC)CC1 1074510841 SFMCYEBLCGHCSR-UHFFFAOYSA-N 311.382 -0.442 30 20 DBED CCC(=O)NCC(=O)N1CCC(O)(CNC(=O)[C@@H](C)C#N)CC1 1074520563 YHZWSAHYXYGNPE-NSHDSACASA-N 324.381 -0.858 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCC(O)(CNC(=O)[C@H](C)C#N)CC1 1074566505 NGNVQXQRHLAKKY-DOMZBBRYSA-N 323.393 -0.057 30 20 DBED Cc1nonc1C(=O)N1CCC(O)(CNC(=O)[C@H](C)C#N)CC1 1074632740 CKQNHQJYKGWSED-SECBINFHSA-N 321.337 -0.379 30 20 DBED C[C@@H](CCNC(=O)C#CC1CC1)NC(=O)[C@H]1CN(C)C(=O)N1 1076432293 KFVXHJIDZXTNLW-CMPLNLGQSA-N 306.366 -0.566 30 20 DBED C=CCOCC(=O)N[C@@H](C)CCNC(=O)C1CS(=O)(=O)C1 1076671160 NCRMUNPUGSBOLQ-JTQLQIEISA-N 318.395 -0.755 30 20 DBED C=C(C)CCC(=O)NCC[C@H](C)NC(=O)[C@@H]1CC(=O)NC(=O)N1 1076797741 WEGXCBOQZRMHQC-QWRGUYRKSA-N 324.381 -0.048 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CN(C[C@H]3CCOC3)C[C@H]2O)[nH]1 1076898469 KPYVCCHHBWNIHA-LERXQTSPSA-N 304.350 -0.302 30 20 DBED C=CCO[C@H](C)C(=O)NCC[C@H](C)NC(=O)c1c[nH]c(=O)cn1 1077066746 WNPAVHWKXIOTIX-WDEREUQCSA-N 322.365 -0.014 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H](C)CCNC(=O)c1cn(CC)nn1 1078145918 JHCRKYGAUKBQNA-NWDGAFQWSA-N 321.381 -0.039 30 20 DBED C=CCOCC(=O)N(CC)C1CN(C(=O)CCn2cncn2)C1 1079490353 KSCHFKUUKQJIDX-UHFFFAOYSA-N 321.381 -0.070 30 20 DBED C#CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)[C@H](C)CC(N)=O)C1 1079775273 VVKZSWHOMUIXJV-VXGBXAGGSA-N 323.393 -0.405 30 20 DBED C=CCOCC(=O)N1CC(N(CC)C(=O)[C@@H]2CC[C@@H]2C(N)=O)C1 1080214813 RQUZHDIQWMBGHL-QWHCGFSZSA-N 323.393 -0.240 30 20 DBED CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)CCN2CCOCC2)C1 1080413390 XLXSNTHKKGJELZ-CYBMUJFWSA-N 322.409 -0.072 30 20 DBED Cc1nc[nH]c1C(=O)N1CCC(CO)(NC(=O)[C@H](C)C#N)CC1 1080983554 QYJGTRQDWAWFEG-SNVBAGLBSA-N 319.365 -0.039 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)CCSC)C[C@@H]1O 1081345068 YDKWLKRHYAAPHW-NEPJUHHUSA-N 316.423 -0.122 30 20 DBED CCOCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2ccc(C#N)[nH]2)C1 1081413925 MZFDKBLWYHSKOM-GXFFZTMASA-N 320.349 -0.528 30 20 DBED CC#CCCCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cnn[nH]2)C1 1081589143 AXDWICAOWSIQLP-YPMHNXCESA-N 319.365 -0.453 30 20 DBED CCCN(C)CC(=O)NC[C@H]1CN(C(=O)C#CC(C)C)C[C@@H]1O 1081634172 CVQGJUWWSDDUFX-GJZGRUSLSA-N 323.437 -0.077 30 20 DBED CC#CCN1C[C@@H](NC(=O)[C@H](C)N2C(=O)CCC2=O)[C@H](OC)C1 1081759191 RVLSELXALPWCSD-YNEHKIRRSA-N 321.377 -0.637 30 20 DBED C=CCOCC(=O)N1C[C@H](CNC(=O)c2nocc2C)[C@@H](O)C1 1081773837 HAKOSCMSPFSQHF-RYUDHWBXSA-N 323.349 -0.265 30 20 DBED C#CCN1C[C@@H](NC(=O)c2ccnn2CCOC)[C@H](OC)C1 1081834929 VACLBHVNPRZMJX-TZMCWYRMSA-N 306.366 -0.408 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@H]2CC(=O)N(CCC)C2)[C@H](OC)C1 1082188691 MWXOCZABZCEYIE-BFHYXJOUSA-N 307.394 -0.307 30 20 DBED CO[C@H](C(=O)N1CCO[C@@H]2CN(CC#N)C[C@@H]21)c1cnn(C)c1 1083154086 DUOCFZIRZNOMKT-MJBXVCDLSA-N 319.365 -0.457 30 20 DBED CN(C[C@H]1CCN1CC#N)C(=O)[C@@H]1CCc2nnc(O)n2C1 1085680949 PXUVKBHWDKYSSQ-GHMZBOCLSA-N 304.354 -0.398 30 20 DBED Cn1nnc(C(=O)N2C[C@H]3[C@@H]4CC[C@@H](CN4CC#N)[C@H]3C2)n1 1087380232 QIHIMKJZYWMWPW-QCNOEVLYSA-N 301.354 -0.484 30 20 DBED C#CCCN1CC[C@H](NC(=O)[C@@H]2COCCN2C(C)=O)[C@H]1C 1089048846 HTYOWNZENDIGHB-SNPRPXQTSA-N 307.394 -0.164 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CCN(Cc3cnon3)C[C@@H]2O)c1 1090181162 WPKKKROWPWSGAK-YPMHNXCESA-N 316.321 -0.365 30 20 DBED C=CCN1CC[C@H](NC(=O)c2cnc(N(C)C)cn2)[C@H](O)C1 1090264745 HNNCEBPFRYWYFY-WCQYABFASA-N 305.382 -0.106 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2cnc3[nH]nnc3c2)[C@@H](O)C1 1090326559 JVHJOXCGPSSZMR-AAEUAGOBSA-N 314.349 -0.459 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2cnn3ncccc23)[C@H](O)C1 1090332226 UHDCBMFKSNKUBK-DZGCQCFKSA-N 313.361 -0.082 30 20 DBED CO[C@H](C)CCC(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1O 1090403417 UNWJXZOYCSZSDK-IJLUTSLNSA-N 319.365 -0.171 30 20 DBED C[C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1Nc1cnc(C#N)cn1 1090955440 PKCAZKXTULNJLG-PSASIEDQSA-N 303.326 -0.725 30 20 DBED CC[C@@H](C(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O)N(C)C 1091122990 IFERXDGBWQEEEF-AGIUHOORSA-N 318.381 -0.646 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H]1C[C@H](Nc2ncccn2)C1 1091445515 ANHYVJFBUSFJEU-HAQNSBGRSA-N 301.350 -0.077 30 20 DBED CNC(=O)CC(=O)NC[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1C 1092356068 PZTMUKPUZNYEKK-GHMZBOCLSA-N 316.365 -0.327 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2CN(CC(N)=O)C[C@H]2C)nn1 1093034981 IJADOEKVVAESBV-GHMZBOCLSA-N 306.370 -0.753 30 20 DBED CO[C@H](C(=O)NCCNc1cncc(C#N)n1)[C@@H]1CCOC1 1094013079 XWBLNFZHNDLUEA-MFKMUULPSA-N 305.338 -0.072 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)[C@H]3CCC(=O)NC3)CC2=O)C1 1094758273 ZSPXWZHQAXCZAG-RYUDHWBXSA-N 320.393 -0.900 30 20 DBED N#Cc1cccnc1N[C@H](CNC(=O)[C@@H]1CNC(=O)N1)C1CC1 1096799784 ASYDTKVVDWFHFD-NEPJUHHUSA-N 314.349 -0.059 30 20 DBED C[C@H](NC(=O)C(N)=O)[C@H]1CCCN(c2cnc(C#N)cn2)C1 1097548380 UQFHXQDRUQXLEA-UWVGGRQHSA-N 302.338 -0.445 30 20 DBED C[C@@H](CNC(=O)CCCC(=O)N(C)C)N=c1cc[nH]c(C#N)n1 1097966270 GPCOUARLXSJYKT-NSHDSACASA-N 318.381 -0.055 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H](C)Nc1ncnc2c1nnn2C 1098061700 SNCCTNSHRKMVGO-UWVGGRQHSA-N 317.353 -0.287 30 20 DBED C[C@@H](CNC(=O)C[C@@H]1NC(=O)NC1=O)Nc1ccc(C#N)nc1 1098377591 HXUUUQWPZMNMAN-KWQFWETISA-N 316.321 -0.532 30 20 DBED CC(=O)N[C@@H](C)C(=O)N1CC[C@H](n2cc(CNCC#N)nn2)C1 1098607962 JQJQVPGZUIUQOS-GWCFXTLKSA-N 319.369 -0.811 30 20 DBED C#CCNCc1cn([C@H]2CCN(C(=O)c3cn(C)nn3)C2)nn1 1098667178 SGWDHPWLYGHFQL-LBPRGKRZSA-N 314.353 -0.783 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CCN(CC(=C)Cl)C[C@H]1O 1099790043 WMHHTCJRSCTINT-NWDGAFQWSA-N 313.785 -0.570 30 20 DBED CN1CCO[C@H](C(=O)NCCN(C)c2ccc(C#N)cn2)C1 1099996849 SCIUMOWKKZWIBS-ZDUSSCGKSA-N 303.366 -0.164 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CS(=O)(=O)C(C)C)[C@@H](O)C1 1100116188 PNBNIKFWYCCZCY-OLZOCXBDSA-N 316.423 -0.616 30 20 DBED CNC(=O)NCCC(=O)N(C)CCNc1nccnc1C#N 1101574553 QKKSOOFDTUYPPP-UHFFFAOYSA-N 305.342 -0.462 30 20 DBED CC(C)C#CC(=O)NCC[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1C 1102955815 ILZCLAVYWAOIJJ-CHWSQXEVSA-N 322.409 -0.085 30 20 DBED C[C@H](CNC(=O)CCNC(N)=O)CNc1cnc(C#N)cn1 1103967975 UGAHYFZBUQVSAQ-VIFPVBQESA-N 305.342 -0.429 30 20 DBED COC[C@H](C)C(=O)NC[C@H]1CN(c2cnc(C#N)cn2)CCO1 1104309541 COTFOGMQLOALHA-AAEUAGOBSA-N 319.365 -0.048 30 20 DBED C[C@@H](CNc1nccnc1C#N)N(C)C(=O)CS(C)(=O)=O 1104497351 DWXRNAUKKFABAT-VIFPVBQESA-N 311.367 -0.348 30 20 DBED C#CCNCc1cn(C2CN(C(=O)c3cn(C)nc3C)C2)nn1 1105197360 PVADLYKHOLGPEJ-UHFFFAOYSA-N 313.365 -0.260 30 20 DBED C#CCCNCc1cn(C2CN(C(=O)[C@@]34COC[C@@H]3C4)C2)nn1 1105244019 NRRPYNHKLGXSEO-LRDDRELGSA-N 315.377 -0.189 30 20 DBED CN1CCO[C@H](C(=O)N(C)CCN(C)c2cncc(C#N)n2)C1 1105355307 KHDDXSXQJZXYPN-ZDUSSCGKSA-N 318.381 -0.427 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](O)CNC(=O)c2cc(C)[nH]n2)n1 1105727462 NRMVJGUURBJPCO-NSHDSACASA-N 315.337 -0.109 30 20 DBED Cc1nn(C)cc1C(=O)NC[C@@H](O)CN=c1cc[nH]cc1C#N 1105764157 YCYKLBTUSRXIPM-LBPRGKRZSA-N 314.349 -0.380 30 20 DBED Cc1cc(=NC[C@@H](O)CNC(=O)c2ccnn2C)c(C#N)c[nH]1 1105779786 JPASTGKXEZLAJY-GFCCVEGCSA-N 314.349 -0.380 30 20 DBED C=CCCOCC(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1 1105889433 DOMCUZLOVKKZBF-NSHDSACASA-N 305.338 -0.748 30 20 DBED COCCO[C@H](C)C(=O)NC[C@H](O)CNc1ncccc1C#N 1105961840 AZKDULLKVADLSU-DGCLKSJQSA-N 322.365 -0.106 30 20 DBED Cc1cocc1C(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1 1106046562 CORLLZPZCWRHST-JTQLQIEISA-N 301.306 -0.126 30 20 DBED CN1CC[C@H](C(=O)NC[C@H](O)CNc2ccc(C#N)cn2)C1=O 1106064360 SNKAXLZFEDIPQF-VXGBXAGGSA-N 317.349 -0.679 30 20 DBED COC(=O)NCC(=O)NC/C=C\CN=c1cc[nH]c(C#N)n1 1107057710 JVTUMRCEGNLNTJ-IHWYPQMZSA-N 304.310 -0.790 30 20 DBED N#Cc1nc(=NC/C=C/CNC(=O)C[C@@H]2CCC(=O)N2)cc[nH]1 1107246490 JRJGAMKELZIZLC-GXFZAYBSSA-N 314.349 -0.477 30 20 DBED C=CCCC(=O)NC[C@@]1(C)CN(CC(=O)NC(N)=O)CCO1 1107802748 YOXZJRWHLQEJKK-AWEZNQCLSA-N 312.370 -0.645 30 20 DBED C[C@H](CN=c1cc[nH]cc1C#N)NC(=O)[C@@H]1CC(=O)N(C)C1 1108178515 WLVVNJUCQNILDH-GHMZBOCLSA-N 301.350 -0.230 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)C(=O)N2CC[C@H](C)C2)C1 1108330612 CWQRJTSHLZJIKH-BBRMVZONSA-N 307.394 -0.305 30 20 DBED Cc1nc(CC(=O)N[C@@H](C)CNc2cncc(C#N)n2)n[nH]1 1108357334 HEACTPSPVOOVQI-QMMMGPOBSA-N 300.326 -0.066 30 20 DBED CN(C)CC1(C(=O)N[C@@H]2CC(=O)N(C3CN(CC#N)C3)C2)CC1 1108566947 RJGJLMDQZDPLME-GFCCVEGCSA-N 319.409 -0.747 30 20 DBED CC(C)N(C)CC(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1 1108592327 SLZFRWBGZBRWMR-LBPRGKRZSA-N 307.398 -0.749 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H](C)NC(C)=O 1108901132 WRVGRMAULVLMJJ-RZFFKMDDSA-N 307.394 -0.118 30 20 DBED CN(CCCN=c1cc[nH]c(C#N)n1)C(=O)[C@H]1COCCO1 1109370852 HTUPVHFTTAFNFN-LLVKDONJSA-N 305.338 -0.554 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H](CCC(N)=O)NC(C)=O 1109849312 MUGUEZWUFZAGKK-RFGFWPKPSA-N 320.393 -0.889 30 20 DBED CNS(=O)(=O)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC#N 1110550259 JASHVYGQNOGXJQ-MXWKQRLJSA-N 300.384 -0.829 30 20 DBED COC[C@@H](C)C(=O)NC[C@H]1COCCN1c1nccnc1C#N 1111665664 MLFARIWAFZSPRX-NEPJUHHUSA-N 319.365 -0.048 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H]1COCCN1c1cnc(F)cn1 1111699931 FMPVUXMQTNOLFG-RYUDHWBXSA-N 322.340 -0.025 30 20 DBED CC(=O)NCC(=O)N[C@H]1CCN(c2ccnc(C#N)n2)[C@H](C)C1 1112467862 UMMBOANMFZBIOI-PWSUYJOCSA-N 316.365 -0.042 30 20 DBED CNC(=O)CC(=O)NC[C@@H]1CN(c2ccncc2C#N)C[C@@H]1O 1112709170 GGFCNZBAENERFF-YPMHNXCESA-N 317.349 -0.997 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)Cc2cncnc2)CC1 1112804355 KMUZWXSYDGKVJG-ZDUSSCGKSA-N 315.377 -0.699 30 20 DBED C[C@H](Nc1cncc(C#N)n1)[C@@H](C)NC(=O)CN1CCOCC1 1112971167 MXNKOVRPAJLULF-NWDGAFQWSA-N 318.381 -0.014 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)[C@H](C)CC(N)=O)CC1 1113193835 QMCSWOWJNCNFEC-NEPJUHHUSA-N 310.398 -0.667 30 20 DBED C[C@H](CNC(=O)[C@H]1CN(C)C(=O)N1)N(C)c1ccc(C#N)nn1 1113802064 GTAYWVZWCSJGHE-MWLCHTKSSA-N 317.353 -0.687 30 20 DBED COCCOC[C@H](O)CN1C[C@@H]2C(NC(=O)C#CC(C)C)[C@H]2C1 1114247879 QGZZXTHPFZLNHT-ILXRZTDVSA-N 324.421 -0.284 30 20 DBED COCC#CCN1C[C@@H]2C(NC(=O)CN3CCCNC3=O)[C@H]2C1 1114515743 KPWLXVZWODFBRO-STQMWFEESA-N 320.393 -0.902 30 20 DBED CC#CCN1C[C@H]2[C@H](NC(=O)CN(C)S(=O)(=O)CC)[C@H]2C1 1115051725 AODLRQGAWFKLJO-IMRBUKKESA-N 313.423 -0.662 30 20 DBED C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)NCC(=O)NCC#N 1117478576 XZSITIRQPNINHL-DTWKUNHWSA-N 304.372 -0.911 30 20 DBED C#CCSCCNC(=O)C(=O)NCc1cn(CC=C)nn1 1118111722 DCXOKYDFTBLQAQ-UHFFFAOYSA-N 307.379 -0.437 30 20 DBED C#CC1CCN(C(=O)C(=O)N(CCOC)CCN(C)C)CC1 1118185107 UAHAMQWYBLLLLC-UHFFFAOYSA-N 309.410 -0.105 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N(C)CC(C)(C)S(C)(=O)=O 1119140915 KPHSHDFGTOROMW-SNVBAGLBSA-N 320.411 -0.415 30 20 DBED C#CCNC1(CNC(=O)[C@H]2CCS(=O)(=O)N2)CCCCC1 1120153016 WUYBLFSXCXDEQH-GFCCVEGCSA-N 313.423 -0.280 30 20 DBED C#CCNC(=O)CNC1CC2(C1)CC(NC(=O)[C@@H]1CCOC1)C2 1120747049 JFDOAPSBSYLVDK-VZHDMLGISA-N 319.405 -0.211 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@H](CO)N=c1cc(C)[nH]cc1C#N 1121405692 OVHMDKVMFLHNOF-CZUORRHYSA-N 318.377 -0.100 30 20 DBED N#Cc1cncc(N[C@@H](CO)CNC(=O)CCCCC(N)=O)n1 1122045865 YIUNFLZBHRFNGW-LLVKDONJSA-N 320.353 -0.717 30 20 DBED CN(C)C1(C(=O)NC[C@H](CO)Nc2ccc(C#N)nn2)CCC1 1122189363 FIYOFZJMRBIYQT-GFCCVEGCSA-N 318.381 -0.278 30 20 DBED CNC(=O)CC(=O)N1CC[C@H](Nc2cncc(C#N)n2)[C@H]1C 1122972055 SKGPMOBIUKYASP-KOLCDFICSA-N 302.338 -0.114 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CCCN(c2nccnc2C#N)[C@@H]1C 1123537135 FSKPIZNYCCYCOY-GHMZBOCLSA-N 316.365 -0.042 30 20 DBED COCCN(CCNC(=O)c1cn[nH]c1)c1cncc(C#N)n1 1126226621 CJVWZLZELJBIKL-UHFFFAOYSA-N 315.337 -0.046 30 20 DBED C#CCO[C@H](C)C(=O)NCCNCC(=O)Nc1nncs1 1127046073 LBSKOYWSELDWCO-SECBINFHSA-N 311.367 -0.779 30 20 DBED C=C(C)CCC(=O)NCCNCC(=O)N[C@@H](C)C(=O)N(C)C 1128418912 XETFCJMCKONVHX-LBPRGKRZSA-N 312.414 -0.359 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)CCc2ccnn2C)C1=O 1128469738 XTCBLFCZSIUTMJ-CQSZACIVSA-N 319.409 -0.155 30 20 DBED C=CCOCC(=O)N1C[C@H](n2ccnn2)[C@H](NC[C@@H](C)O)C1 1129681328 OWWQPWCBMADKBH-UPJWGTAASA-N 309.370 -0.797 30 20 DBED CC(=O)NCc1c[nH]nc1[C@@H]1CCN(CC(=O)NCC#N)C1 1130329237 NKVPKSRATZTZNH-LLVKDONJSA-N 304.354 -0.525 30 20 DBED C#CCN1CC[C@H](c2n[nH]cc2CNC(=O)Cc2nc[nH]n2)C1 1130438006 IPAYZWXTOSIJCP-NSHDSACASA-N 313.365 -0.191 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1cc(OC)nc(OC)c1 1130837734 DJCNZDKUHICZII-UHFFFAOYSA-N 322.365 -0.280 30 20 DBED CC#CCN1CCOC[C@@H]1c1n[nH]c(CNC(=O)[C@H](C)C#N)n1 1130839236 KDGGHEMRYVHWLF-VXGBXAGGSA-N 316.365 -0.023 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(C)=O)C[C@H]1c1cncn1C 1130886342 KHEKDBXRXUMUBT-IACUBPJLSA-N 317.393 -0.538 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)[C@H](C)CC(N)=O)C[C@@]3(C1)O2 1131251795 CRNUPLCYQOVMNP-OQMKEHIESA-N 305.378 -0.567 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)Cc1cnc[nH]1 1134407006 MBOGTVVTBIUCOI-UHFFFAOYSA-N 306.370 -0.580 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)CCc1cnc[nH]1 1134546052 VKYZEEKUBFBLNQ-CHWSQXEVSA-N 319.409 -0.035 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)C1(NC(C)=O)CCCC1 1135206128 WLAFJOGDMWWDCQ-LBPRGKRZSA-N 324.425 -0.168 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)[C@]1(C)CCN(C(C)=O)C1 1146994014 HYGIWWVIHNJGEQ-BLLLJJGKSA-N 324.425 -0.359 30 20 DBED Cn1ncc(CN2CCCO[C@H](CNC(=O)C#CC3CC3)C2)n1 1149693955 FFTXXEUOUQFBKI-OAHLLOKOSA-N 317.393 -0.064 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)C[C@@H]2CCN(C)C2=O)C1 1149887630 GIMSPOMFIKONRN-UONOGXRCSA-N 307.394 -0.305 30 20 DBED COCC#CCN1CCCO[C@@H](CNC(=O)c2cnn[nH]2)C1 1149936603 JGIXBBKUVROZPE-LBPRGKRZSA-N 307.354 -0.725 30 20 DBED C=CCCOCC(=O)NC[C@H]1CN([C@@H](C)C(N)=O)CCCO1 1150803881 VAVTZYVIJBJXFT-STQMWFEESA-N 313.398 -0.340 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)[C@H](CC)N1CCCC1=O 1151540467 PKDRMVUHCQEUBU-STQMWFEESA-N 324.425 -0.216 30 20 DBED CCN(CCC#N)C(=O)CN(CC)[C@H](C)CNC(=O)C(N)=O 1154944588 DNTOYNDIJNEMMX-LLVKDONJSA-N 311.386 -0.940 30 20 DBED C=CCN(CC=C)C(=O)CNCCCNC(=O)CNC(=O)CC 1155795223 AWQJLVHORKUTGA-UHFFFAOYSA-N 324.425 -0.191 30 20 DBED C#CCO[C@H](C)C(=O)NCCCNC[C@@H](O)COCCOC 1157874326 NWVSIOMOVXOOFR-ZIAGYGMSSA-N 316.398 -0.856 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)c1cc(OC)ncn1 1158197086 RWHVKXGHBNCFGH-LLVKDONJSA-N 321.381 -0.115 30 20 DBED COc1cc(CCC(=O)NCCCNCC(=O)NCC#N)on1 1158996535 YXNKFEGROJPRNX-UHFFFAOYSA-N 323.353 -0.649 30 20 DBED CCCN1CCC[C@H]1C(=O)NCCCNCC(=O)NCC#N 1159327383 IEUYOXZGHPYJJS-ZDUSSCGKSA-N 309.414 -0.404 30 20 DBED N#CCNC(=O)CN1CC=C(CCNC(=O)[C@H]2CCOC2)CC1 1159487840 DVYWYVSBIDLFOJ-AWEZNQCLSA-N 320.393 -0.199 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCCNCC(=O)NC1CC1 1160197693 CZACBUCOCKSQQG-AWEZNQCLSA-N 306.410 -0.542 30 20 DBED C#CCN1CC=C(CCNC(=O)CC[C@H]2NC(=O)NC2=O)CC1 1161834721 RZXXEXHXVPRHPC-CYBMUJFWSA-N 318.377 -0.254 30 20 DBED C=CCNC(=O)CNCCCNC(=O)CCc1cncnc1 1162560168 GCIVCEBXHNQTQR-UHFFFAOYSA-N 305.382 -0.193 30 20 DBED CCC[C@H](C(=O)NCCCNCC#CCOC)S(N)(=O)=O 1163213699 UKHNFMGVDCLCNE-GFCCVEGCSA-N 319.427 -0.811 30 20 DBED CC#CCNCCCNC(=O)Cn1nc2ccccn2c1=O 1163649288 WGPNDMOSEJHUQA-UHFFFAOYSA-N 301.350 -0.385 30 20 DBED C=CCN1CC[C@@H](NCC2(CCNC(=O)C(N)=O)CC2)C1=O 1166929222 MXQZQGZQZIONFQ-LLVKDONJSA-N 308.382 -0.865 30 20 DBED C#CCNC(=O)CNCCCCCCNC(=O)[C@H]1COC(=O)N1 1178372694 VHQDOMGTCNPSAF-GFCCVEGCSA-N 324.381 -0.890 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2ccnnc2C)[C@H]1C 1179069754 RTFIFLDNRFOOFS-JSGCOSHPSA-N 315.377 -0.273 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H](N[C@H](C)C(=O)NC)[C@@H]2C)nn1 1179673906 AJHRMPFHSCNHBU-WOPDTQHZSA-N 320.397 -0.209 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2ccccc2O)C1 1181050184 MMEZDFHWXPZCBD-GFCCVEGCSA-N 301.346 -0.054 30 20 DBED N#CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CCC2(F)F)C1 1183527214 VORDMPUNZXCMIF-ZJUUUORDSA-N 300.309 -0.138 30 20 DBED C#CCNC[C@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C[C@H]1C 1185283169 NWHASNVJPWXEGI-VXGBXAGGSA-N 305.378 -0.253 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)[C@@H]2CCCCC(=O)N2)C1 1185601186 ZNLBAFYZHXHBDL-KGLIPLIRSA-N 307.394 -0.115 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)C23CCN(CC2)C3)C1 1187122514 VMPMKVQXGAUUPQ-CYBMUJFWSA-N 304.394 -0.978 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)[C@H](C)n2cccn2)C1 1188974504 QDFPQBGWFHJQIN-UONOGXRCSA-N 317.393 -0.274 30 20 DBED Cc1ncoc1C(=O)N1CC[C@@H](N(C)CC(=O)NCC#N)C1 1189536701 JDFMTVPZSGPDKJ-LLVKDONJSA-N 305.338 -0.231 30 20 DBED C#CCOCCC(=O)N1CC[C@H](N(C)CC(=O)N2CCC2)C1 1190121311 OSGMIQSPYUZZCD-AWEZNQCLSA-N 307.394 -0.209 30 20 DBED C#CCOCCC(=O)N1CC[C@H](N(C)[C@H]2CCC(=O)NC2=O)C1 1190129227 RLLMECSOARKGBA-STQMWFEESA-N 321.377 -0.636 30 20 DBED C#CCCN(C)[C@@H]1CCN(C(=O)CN2CCCS2(=O)=O)C1 1190501665 INVQVODAKVTURY-CYBMUJFWSA-N 313.423 -0.422 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)CCC2CCCC2)C1 1190777314 DHLVPFCJPCFSQW-HUUCEWRRSA-N 321.421 -0.133 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)C[C@H]2CCC(=O)N2)C1 1192800606 IBDMHXMVXCMMMM-OLZOCXBDSA-N 322.409 -0.510 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2nc(C)oc2C)C[C@H]1O 1192891133 IDLRGUSAQDECIK-KCPJHIHWSA-N 321.377 -0.009 30 20 DBED CCCCS(=O)(=O)NCC(=O)N1CC[C@@H](N(C)CC#N)C1 1193736538 PCRLGNCSBBDFBX-GFCCVEGCSA-N 316.427 -0.238 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CCN(C(=O)[C@@H](C)NC(C)=O)CC1 1199226320 YJOJWKVLUZZZDQ-VXGBXAGGSA-N 322.409 -0.771 30 20 DBED C=CCNC(=O)CNC[C@@H]1CN(C(=O)c2cn[nH]c2)CCCO1 1199923656 NKTDWPQBEVCCBV-CYBMUJFWSA-N 321.381 -0.467 30 20 DBED C[C@@H]1C[C@H]1C(=O)N1CCCO[C@H](CNCC(=O)NCC#N)C1 1201154618 HHKIKDUXAUOKQN-JHJVBQTASA-N 308.382 -0.511 30 20 DBED C[C@@H]1C[C@@H](C(=O)N2CCC(NCC(=O)NCC#N)CC2)CO1 1201339286 WXTQIJSCXYPHLY-VXGBXAGGSA-N 308.382 -0.368 30 20 DBED C#CCN[C@H]1C[C@@H](NC(=O)CS(=O)(=O)N(C)C)C12CCC2 1203671606 UFFPKNSRVVPAPJ-NWDGAFQWSA-N 313.423 -0.472 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)c2n[nH]cc2C)CC1 1205195424 BWDHBLKQNMLXTN-UHFFFAOYSA-N 317.393 -0.091 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)c2cnon2)CC1 1206650156 YACSSQHPRGOZLO-UHFFFAOYSA-N 305.338 -0.739 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)Cc2ccn(C)n2)C1 1208008701 KNCDSBKUWIAELF-CQSZACIVSA-N 319.409 -0.155 30 20 DBED C[C@@H](N[C@H]1CCCN(C(=O)C#CC2CC2)C1)C(=O)NC(N)=O 1208008780 LAFUFGMNGRTAOF-PWSUYJOCSA-N 306.366 -0.436 30 20 DBED CC#CCN[C@@H]1CCCN(C(=O)CNS(=O)(=O)CC)C1 1208271414 LDAJHHDEGZSJOF-GFCCVEGCSA-N 301.412 -0.470 30 20 DBED CCN(CC)CC(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1209625825 JLRCLZPAMRPWJQ-CHWSQXEVSA-N 309.414 -0.596 30 20 DBED C=CCN[C@@H]1CCCN(C(=O)CNS(=O)(=O)N(C)C)C1 1209883285 CGGXPYUFGNGYBO-LLVKDONJSA-N 304.416 -0.851 30 20 DBED CO[C@@H]1CN(CC(=O)NC2CC2)C[C@H]1NC(=O)C#CC1CC1 1212246381 RPTLENPDSNEXKU-ZIAGYGMSSA-N 305.378 -0.506 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)[C@H]2CN(C)CCO2)C[C@H]1C 1214388618 DVLVQQKGYSFSML-RBSFLKMASA-N 309.410 -0.597 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)C(C)(C)N(C)CC)C[C@H]1C 1214996795 CYWURYKFIVWPSL-ZIAGYGMSSA-N 322.453 -0.097 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CS(=O)(=O)CCC 1219039526 NGAYARKZNHTTNL-QWHCGFSZSA-N 314.407 -0.644 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CN(Cc2nc(C3CC3)no2)C[C@@H]1O 1219379034 LTIZPBIUPBOMMA-IEBDPFPHSA-N 305.338 -0.232 30 20 DBED C[C@@H](O)CCCN1C[C@H](O)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 1219476230 TWJOLSVNANZMEP-HONMWMINSA-N 306.366 -0.178 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2cscn2)C[C@@H]1O 1219607455 NZEBHJWGVJLOTL-UHTWSYAYSA-N 309.391 -0.157 30 20 DBED C=CCn1cccc1C(=O)N[C@@H]1CN(CC(=O)NCC)C[C@@H]1O 1219807053 XUWKMEAXHCJMHQ-OCCSQVGLSA-N 320.393 -0.415 30 20 DBED C=CCC[C@H](C)N1C[C@H](O)[C@H](NC(=O)Cn2ncn(C)c2=O)C1 1219913092 DHOCBQIEVFURIQ-XQQFMLRXSA-N 323.397 -0.902 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2CC23CCCC3)C1 1220681727 NBHWIARIWXNYRO-MJBXVCDLSA-N 319.405 -0.523 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(CCc2cnn(C)c2)C[C@@H]1O 1221145438 BXTVSXGASPULPT-YUELXQCFSA-N 322.409 -0.285 30 20 DBED C=CCOCCN1CC[C@@H]2CN(C(=O)CS(C)(=O)=O)[C@@H]2C1 1221353929 IHRCYADOUXLMJN-CHWSQXEVSA-N 316.423 -0.234 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H]2CCN(CC(=O)NC(N)=O)C[C@H]21 1221731600 LEPOUTVOJZCANV-GHMZBOCLSA-N 308.382 -0.074 30 20 DBED C=CCN1CCC(CNC(=O)CNS(=O)(=O)CC)CC1 1223373915 GHLDYKJWASEMNA-UHFFFAOYSA-N 303.428 -0.060 30 20 DBED C#CCN1CC[C@@H]1CN(C)C(=O)[C@@H](C)NS(=O)(=O)CC 1234447885 YJXUTXOCPMQBCF-VXGBXAGGSA-N 301.412 -0.520 30 20 DBED C#CCN(C(=O)C(=O)NC1CCN(CCN(C)C)CC1)C(C)C 1262225000 NPYXXDFJSPJUKM-UHFFFAOYSA-N 322.453 -0.001 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1Cn1nnnc1N(C)[C@@H]1CCNC1=O 1262426605 COCHUTVKSUHAND-UTUOFQBUSA-N 306.370 -0.021 30 20 DBED CCS(=O)(=O)CCN(C)C(=O)C(=O)N1CCC[C@@H](C#N)C1 1262515037 SFZBHDNVUYHLJJ-NSHDSACASA-N 315.395 -0.358 30 20 DBED Cc1c[nH]nc1C(=O)N1CCC[C@@H]1CNCC(=O)NCC#N 1267955217 MWKVTPKNNAHXEA-LLVKDONJSA-N 304.354 -0.448 30 20 DBED C=CCNC(=O)CNC(=O)C(=O)Nc1cccc(OCC#N)c1 1319862516 ATPRMIGGBFYGFE-UHFFFAOYSA-N 316.317 -0.054 30 20 DBED O=C(NCCN/C(O)=C1\N=CC=CC1=O)NC[C@H]1CCCO1 1321746351 OVSLPXJGRRMQDH-LRZCVGBLSA-N 308.338 -0.009 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N[C@H]1CCCS(=O)(=O)C1 1324268740 AMGMGHNNIIXWJN-JTQLQIEISA-N 324.424 -0.536 30 20 DBED C#CC1CCN(C(=O)C(=O)N2CCC(CO)(OC)CC2)CC1 1326844584 UYYZRFPJSVSPSN-UHFFFAOYSA-N 308.378 -0.142 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)N2CC[C@H]3OCCC[C@@H]3C2)C1 1327025863 VYIQHOJJFOLLEI-IOASZLSFSA-N 321.377 -0.109 30 20 DBED CS(=O)(=O)[C@H]1CCN(C(=O)NC2CCN(CC#N)CC2)C1 1327086030 WIJAGWIPWBCTTG-LBPRGKRZSA-N 314.411 -0.197 30 20 DBED C=CCN(C(=O)C[C@H]1CCC(=O)N1)[C@@H]1CCS(=O)(=O)C1 1327802389 CSGSHVFRLGLMLH-GHMZBOCLSA-N 300.380 -0.143 30 20 DBED C#CC1CCN(C(=O)C(=O)NC[C@H]2CC[C@H](C(N)=O)O2)CC1 1328315298 GWJJVFGIAXBLLK-VXGBXAGGSA-N 307.350 -0.993 30 20 DBED CN1CCN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)CCC1=O 1328494577 MJYPFNYHCBUGLO-PFONDFGASA-N 320.349 -0.406 30 20 DBED C[C@]1(CO)CCCN1C(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1329721745 BWSQYPDTCSLGHS-CZUORRHYSA-N 320.393 -0.441 30 20 DBED C[C@@H]1CN(C(=O)C(=O)Nc2cnn(CC#N)c2)CC[C@H]1C(=O)O 1331481745 WRWXYMDPQBUBBD-MWLCHTKSSA-N 319.321 -0.086 30 20 DBED C[C@@H](C(=O)N1CCC(N2CCNC2=O)CC1)n1cnc(C#N)n1 1362064362 JTAGDMGRYZIOPJ-JTQLQIEISA-N 317.353 -0.273 30 20 DBED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 1362461762 IIMDCOBKJRMINA-ZNSHCXBVSA-N 322.365 -0.017 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](C1CC1)N(C)C(=O)Cn1ncnn1 1370407064 NHOSQBOODVZKOM-GXSJLCMTSA-N 305.342 -0.814 30 20 DBED C[C@H](CNC(=O)[C@H](C)C#N)NC(=O)CCC(=O)N1CCOCC1 1377350005 KAFQQVNZERCXNS-VXGBXAGGSA-N 324.381 -0.594 30 20 DBED C=C(Cl)CNC[C@H](O)CNC(=O)[C@@H]1CCS(=O)(=O)C1 1379230685 ZCVRYMODTYDKIQ-ZJUUUORDSA-N 310.803 -0.760 30 20 DBED Cc1nc(CC(=O)N[C@@H](C)CNC(=O)c2cc(C#N)c[nH]2)n[nH]1 1386208298 AEWUEHFVGZWXSH-QMMMGPOBSA-N 315.337 -0.210 30 20 DBED C=C(Cl)CN[C@@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)C1CC1 1389677453 RZMDHTHTXSVBMB-UWVGGRQHSA-N 314.773 -0.179 30 20 DBED C=C(Cl)CN[C@H](C)CNC(=O)c1cn(C)c(=O)n(C)c1=O 1390483675 PXNMWQAXWJFVJK-SECBINFHSA-N 314.773 -0.456 30 20 DBED CCn1nc(C(=O)N[C@H](C)CNC(=O)[C@@H](C)C#N)ccc1=O 1397581269 UPHCAKRGXCFLDI-VHSXEESVSA-N 305.338 -0.343 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CCCN(C(=O)CCS(C)(=O)=O)C1 1407396201 VEJUUTMJVTUPAB-MNOVXSKESA-N 315.395 -0.312 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CCN(C(=O)c2cnnc(O)c2)C1 1408391021 ZKJZMWSTWDVTQI-UWVGGRQHSA-N 303.322 -0.080 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)Cc1ccc(F)cn1 1410151916 YRZOXMQPSGHNDC-CABZTGNLSA-N 308.313 -0.484 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CCNC(=O)C2)C1 1414186824 ZJUMXBFEBCUQMH-KKOKHZNYSA-N 306.366 -0.317 30 20 DBED COCCn1cc(C(=O)NCCN(C)C(=O)[C@H](C)C#N)cn1 1429427036 PAPLMDVTXBGXBW-LLVKDONJSA-N 307.354 -0.123 30 20 DBED C[C@H](CCNC(=O)c1cc(C#N)c[nH]1)NCc1nnnn1C 1437363147 DJENDSGCXLSMJE-SECBINFHSA-N 302.342 -0.292 30 20 DBED Cc1nn(C)cc1CNC[C@@H](O)CNC(=O)c1cc(C#N)c[nH]1 1438976107 BVJDMBRUOFCXHZ-CYBMUJFWSA-N 316.365 -0.191 30 20 DBED CCS(=O)(=O)CC(=O)N(C)C[C@@H]1CCN1C(=O)[C@H](C)C#N 1452866188 ZVQVLSJAAALLIV-MNOVXSKESA-N 315.395 -0.360 30 20 DBED Cc1cnc(CCNS(=O)(=O)N2CCO[C@H](C#N)C2)cn1 1475368213 OVQXNJUISZPAEU-GFCCVEGCSA-N 311.367 -0.614 30 20 DBED COC(=O)[C@@](C)(CO)NS(=O)(=O)c1cccc(CC#N)c1 1475376784 IHXQRJUJQNKPLM-CYBMUJFWSA-N 312.347 -0.045 30 20 DBED C=C(Cl)CNC[C@@H](NC(=O)CS(=O)(=O)NC)C1CC1 1498871734 QSMZMBRNUIYJRW-SNVBAGLBSA-N 309.819 -0.228 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H](N[C@@H](C)C(=O)NC)C2)nn1 1566774891 SFUCGMOTARLLJZ-QWRGUYRKSA-N 306.370 -0.597 30 20 DBED C#CCNC(=O)CNC[C@@]1(C)CCN(C(=O)[C@H](CC)N(C)C)C1 1569683671 OFCSHDGXNKNSRK-WMLDXEAASA-N 322.453 -0.096 30 20 DBED C=CCN1CC[C@@H](NC[C@H]2CCN(C(=O)CNC(=O)O)C2)C1=O 1573367869 CWGRCYWFIDDKKQ-VXGBXAGGSA-N 324.381 -0.521 30 20 DBED C[C@H](C(=O)Nc1nn(C)cc1-c1nn[nH]n1)n1cnc(C#N)n1 1573754050 BCWVEXLMSUIGNU-ZCFIWIBFSA-N 313.285 -0.737 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](C)CNc1cnc(-c2nn[nH]n2)cn1 1574833997 AQEAITXOVLDENV-BDAKNGLRSA-N 315.341 -0.019 30 20 DBED N#Cc1ccc2c(c1)CN(C(=O)Cn1cnc(-c3nn[nH]n3)n1)C2 1581874277 KTMUYKJIVPCIBB-UHFFFAOYSA-N 321.304 -0.128 30 20 DBED C#CCN(CC(=O)O)c1nnnn1[C@@H]1CCN(C(C)(C)C)C1=O 1588427424 XGQPWYCIOOEKOC-SNVBAGLBSA-N 320.353 -0.231 30 20 DBED C=C[C@@](C)(O)C(=O)N1CCN(c2ccc(C(=O)O)nn2)CC1 1588682025 IINZMHVZPZOZPF-CQSZACIVSA-N 306.322 -0.240 30 20 DBED CC[C@@H](C)[C@H](NC(=O)Cn1c(=O)[nH]cc(C#N)c1=O)C(=O)O 1594908320 FUQRZGKZJHFDGR-XCBNKYQSSA-N 308.294 -0.976 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)NCCC(=O)NCCC(=O)O)C1 1601063198 RZAONSHLINSYRQ-CYBMUJFWSA-N 312.326 -0.973 30 20 DBED C=CCN1CC[C@@H](N2CCN([C@@]3(C(=O)O)CCOC3)CC2)C1=O 1602898363 QCJUBKVYRFEAHN-CJNGLKHVSA-N 323.393 -0.365 30 20 DBED N#Cc1ncc(NC[C@@H]2CCCS2(=O)=O)nc1-c1nn[nH]n1 1606398244 SLLGRSFNMCQDKP-ZETCQYMHSA-N 320.338 -0.483 30 20 DBED N#C[C@@H]1CNC[C@@H]1NC(=O)c1csc(S(N)(=O)=O)c1 1647244936 WYDOBOXCXZWKLA-SFYZADRCSA-N 300.365 -0.763 30 20 DBED COCC1(O)CCN(S(=O)(=O)N(C)[C@@H](C)CC#N)CC1 1649789528 MZJQBLAPWAGHIN-NSHDSACASA-N 305.400 -0.062 30 20 DBED C=C(C)CN[C@H](C)CNC(=O)C1(n2cnnn2)CCOCC1 1752905129 OHTZULFHHNFYRP-GFCCVEGCSA-N 308.386 -0.151 30 20 DBED C#CCNC(=O)CN1CC[C@@H](CNC(=O)c2cn(C)nc2C)C1 1753125823 YCIIDSXPHWMCMY-ZDUSSCGKSA-N 317.393 -0.470 30 20 DBED C#CCNC(=O)[C@H](C)N1CC(NC(=O)CCc2ccccn2)C1 1753383517 IMAYWWCIPOFWKJ-ZDUSSCGKSA-N 314.389 -0.048 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC(CNC(=O)c2n[nH]cc2F)C1 1753408989 GTTKGGCLPVDUBL-SECBINFHSA-N 309.345 -0.099 30 20 DBED C=CCN[C@@H](CC)CNC(=O)CN1CCS(=O)(=O)CC1 1753495157 QIJSCJVBIXDLSC-LBPRGKRZSA-N 303.428 -0.613 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H]1CN(Cc2nccn2C)CCO1 1753648377 FMGSZIMRCHTRMV-ZIAGYGMSSA-N 320.393 -0.225 30 20 DBED Cc1ccn(CC(=O)NC[C@H]2CN(CC#N)CCO2)c(=O)c1 1753654021 MVYSQYBAZZDMOK-ZDUSSCGKSA-N 304.350 -0.503 30 20 DBED C#CCN[C@@H](C)[C@@H]1CCCN(C(=O)CCNC(=O)COC)C1 1753793144 CYRWSRHQLWERFK-UONOGXRCSA-N 309.410 -0.011 30 20 DBED C#CCNC(=O)CNCCN(CC)C(=O)Cc1nnc(C)o1 1754043391 NLJVHVXDORNMJP-UHFFFAOYSA-N 307.354 -0.892 30 20 DBED Cn1nccc1CCC(=O)NC[C@@H]1CCN1CC(=O)NCC#N 1754485478 WDAGHEBBANQDEP-ZDUSSCGKSA-N 318.381 -0.817 30 20 DBED CC#CCN[C@H]1CCN(C(=O)c2nnc(O)nc2O)[C@H](C)C1 1754596348 FJPNAUWNWVDMMR-ZJUUUORDSA-N 305.338 -0.111 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCO[C@H](CNCc2csnn2)C1 1755001840 GCLJQNMUKLOLIN-WCQYABFASA-N 324.406 -0.107 30 20 DBED C#CCN1CC[C@@H](NC(=O)CN(C)S(C)(=O)=O)C[C@@H]1C 1755162735 YPPOKZQTXDCUQH-NWDGAFQWSA-N 301.412 -0.520 30 20 DBED C=CCNC(=O)CN1CC([C@H](C)NC(=O)C[C@@H]2CCC(=O)N2)C1 1755387675 OVFALJBCXCMTAD-AAEUAGOBSA-N 322.409 -0.606 30 20 DBED C[C@@]1(C(=O)NC[C@H]2[C@@H]3CN(CC#N)C[C@H]23)CCCS1(=O)=O 1755431178 WNCQXQFWQGRHFL-FMSGJZPZSA-N 311.407 -0.229 30 20 DBED C=CCN1C[C@H]2[C@H](CNC(=O)Cn3nc(C)n(C)c3=O)[C@H]2C1 1755433067 ALWVLYWKAALMKA-XYYAHUGASA-N 305.382 -0.630 30 20 DBED C#CCNC(=O)CN[C@H](CO)CNC(=O)c1cc(C)cs1 1755627044 CCAORDIORXGZIP-NSHDSACASA-N 309.391 -0.514 30 20 DBED C#CCCCC(=O)N1C[C@H]2C(CNC(=O)CNC(=O)OC)[C@@H]2C1 1756192809 SFLQMAFSJZONIL-STQMWFEESA-N 321.377 -0.034 30 20 DBED C#CCCCC(=O)N1CCO[C@H]([C@H](C)NC(=O)c2cnn[nH]2)C1 1756216975 MKAKSRDPWRFSSF-AAEUAGOBSA-N 319.365 -0.046 30 20 DBED C=CCOCC(=O)N[C@H](C)CN(C)C(=O)[C@@H](C)S(C)(=O)=O 1756468024 FQOFCEUOARYRQP-GHMZBOCLSA-N 320.411 -0.415 30 20 DBED C=CC(C)(C)C(=O)N[C@H](CO)CNC(=O)C[C@H]1CCC(=O)N1 1756531515 AIYMGFIXSZFHBW-MNOVXSKESA-N 311.382 -0.539 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ncc[nH]1)C2 1800454941 SHUNMTJMUWUYBS-DRXBFXEBSA-N 316.361 -0.435 30 20 DBED N#CC1(C(=O)N2CC3(CCCN3C(=O)CCC(N)=O)C2)CC1 1845993336 OCVOFUYCSPORCW-UHFFFAOYSA-N 304.350 -0.241 30 20 DBED C[C@H](S)C(=O)N1CCCC12CN(C(=O)Cn1ccnn1)C2 1846367855 UVFLTRVXHJQICI-JTQLQIEISA-N 309.395 -0.200 30 20 DBED C#CCN1CCN(C(=O)Cc2ccc(-n3cnnn3)cc2)CC1 128174206 XLBXUHPLKMOLQR-UHFFFAOYSA-N 310.361 -0.018 30 20 DBED CCN1CCC[C@H]1CN/C(N)=N/CCC(=O)N1CCOCC1 170910120 APSIGGDMVMYVQH-ZDUSSCGKSA-N 311.430 -0.376 30 20 DBED C=CCNC(=O)CNC(=O)CNC(=O)c1ccc(C#N)cc1 181925470 HJJPGHIWIOBZMO-UHFFFAOYSA-N 300.318 -0.294 30 20 DBED N#Cc1nc(N)n(CC(=O)NC(=O)NCC(F)(F)F)c1C#N 193059279 WGUXBAUAXKBAMX-UHFFFAOYSA-N 315.215 -0.403 30 20 DBED CN1C[C@H](NC(=O)CNC(=O)c2ccc(C#N)cc2)CC1=O 263802591 UBPFNTGAMCCANQ-GFCCVEGCSA-N 300.318 -0.365 30 20 DBED C#CCNC(=O)[C@H](C)Nc1cnn(CCN2CCOCC2)c1 273815722 BMHSBXAEVYRXDI-ZDUSSCGKSA-N 305.382 -0.235 30 20 DBED C#CCN(CC#N)C(=O)c1cc(S(=O)(=O)N(C)C)cn1C 281529881 MFDPDTMQKQHEJN-UHFFFAOYSA-N 308.363 -0.126 30 20 DBED C=C[C@](C)(CCOC)C(=O)NCCC(=O)NS(C)(=O)=O 282249208 OIFSHXCDCKJIRW-GFCCVEGCSA-N 306.384 -0.203 30 20 DBED CC(C)N(CCOCCO)c1c(C#N)c(=O)n(C)c(=O)n1C 282768893 DMXQSBBSDPUGNS-UHFFFAOYSA-N 310.354 -0.821 30 20 DBED C#CCN(C)CCCNC(=O)[C@@H](CCSC)NC(N)=O 294102980 YJABNJJTTGSCRN-LLVKDONJSA-N 300.428 -0.152 30 20 DBED N#Cc1ccc(CS(=O)(=O)CC(=O)NN2CCOCC2)cc1 298604411 OQYJEGCEKZAWFJ-UHFFFAOYSA-N 323.374 -0.164 30 20 DBED CO[C@H]1C[C@@H](CO)N(/C(O)=N/C[C@@H]2CCCCS2(=O)=O)C1 328998787 HCXMELOMEOSPKS-SRVKXCTJSA-N 320.411 -0.051 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H](C)CN(C)C)C1=O 341258704 AVBGTUBXGGVERL-SNVBAGLBSA-N 310.354 -0.723 30 20 DBED C=CCn1c(O)nnc1S(=O)(=O)CC(=O)N[C@H](C)CC 341392802 ZVGHYSWTXOKMRG-MRVPVSSYSA-N 302.356 -0.142 30 20 DBED COCC1(C#N)CCN(CC(=O)N2CCC[C@H](C(N)=O)C2)CC1 341978425 ACWSZAXEQFVSRV-ZDUSSCGKSA-N 322.409 -0.038 30 20 DBED C=CCCOCCNC(=O)C(=O)N1CC[C@@H](NC(=O)NC)C1 342013740 ZJQYCVNTNNCPOM-LLVKDONJSA-N 312.370 -0.775 30 20 DBED COC(=O)[C@H]1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)[C@@H]1C 344979735 GYEPCDVIFSTPOY-BDAKNGLRSA-N 306.322 -0.657 30 20 DBED C=CCn1cc(CNC(=O)C(=O)NC[C@]2(C)CCCNC2)nn1 424535986 AULGTTNCVMWZTI-OAHLLOKOSA-N 320.397 -0.414 30 20 DBED CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccn(CCC#N)n1 444572557 NYKCSUGQWYYPGZ-LBPRGKRZSA-N 318.381 0.336 30 20 DBED C#CCN(CC#CC)C(=O)COCC(=O)N(CC#C)CC#CC 490680201 YRYZBNLNMZCFCM-UHFFFAOYSA-N 312.369 -0.027 30 20 DBED C#CCNC(=O)c1ccc(N2CC[C@H](S(N)(=O)=O)C2)nc1 490876922 VRFVWQKTWOPEPK-NSHDSACASA-N 308.363 -0.688 30 20 DBED C#CCN1CCN(C(=O)CN2CC[S@@](=O)C[C@@H](C)C2)CC1 491807274 SAJYCRHTXAYGDA-LHSJRXKWSA-N 311.451 -0.536 30 20 DBED COC(=O)N(C)CC(=O)NS(=O)(=O)CC1(C#N)CCC1 495388745 XMLAJHKNIAFWTE-UHFFFAOYSA-N 303.340 -0.176 30 20 DBED CCCN(CC#N)C(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C 516642525 NMGQRSGGSSZJCD-UHFFFAOYSA-N 317.349 -0.049 30 20 DBED CCOC(=O)c1cnc(NCCn2cnc(C#N)n2)nc1C 557718629 JBXVPXCPROEVAW-UHFFFAOYSA-N 301.310 0.537 30 20 DBED CNCCCc1[nH]nc(NC(=O)c2cc([N+](=O)[O-])n[nH]2)c1C#N 562244149 LXMJXKCFMKYXNZ-UHFFFAOYSA-N 318.297 0.317 30 20 DBED Cc1onc(CC(=O)NC[C@@]2(O)CN3CCC2CC3)c1C#N 567365506 CYXKZTQCJNVFCV-OAHLLOKOSA-N 304.350 -0.030 30 20 DBED CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)N2CC[C@](O)(CC#N)C2)O1 591998123 ATWDMYFOIDVFBB-TYNCELHUSA-N 324.381 -0.318 30 20 DBED N#CCCN1CCN(C(=O)C(=O)N2CCCC[C@H]2CCO)CC1 601415058 AEHWVXCKVZTNGD-AWEZNQCLSA-N 322.409 -0.192 30 20 DBED CN1CCN(S(=O)(=O)c2ccsc2C#N)[C@@H](CO)C1 601469809 VFGDZGYBVFKCMJ-SECBINFHSA-N 301.393 -0.083 30 20 DBED C=C[C@@H](O)C(=O)NC[C@H](O)COc1ccc2c(c1)CCC(=O)N2 612419283 OGDUYJKQCOUIMA-SMDDNHRTSA-N 320.345 -0.026 30 20 DBED C=CCC1(NC(=O)Cn2ccc(=O)n(C)c2=O)CCOCC1 618246228 AGOYXMKDIJXVFT-UHFFFAOYSA-N 307.350 -0.212 30 20 DBED C=CCOC[C@H](NC(=O)C1(C(=O)NC2CC2)CC1)C(=O)OC 619544328 DDIMWKDZWQCOTB-NSHDSACASA-N 310.350 -0.094 30 20 DBED CCN(CCC#N)S(=O)(=O)NC1CC(NS(C)(=O)=O)C1 619751819 GCCKRMUFQOLFBB-UHFFFAOYSA-N 324.428 -0.863 30 20 DBED C=CCCCn1cc(CNS(=O)(=O)N2CCNCC2)nn1 640936271 UDBCFBPYBHFNDC-UHFFFAOYSA-N 314.415 -0.516 30 20 DBED CC#CC[C@@H](CO)NC(=O)NCCCN(C)S(=O)(=O)CC 645175396 CWHMXFFLTMDTAK-LBPRGKRZSA-N 319.427 -0.269 30 20 DBED CC#CC[C@@H](CO)NS(=O)(=O)c1cnn([C@H]2CCOC2)c1 645884150 WNECCWYVEISEKW-RYUDHWBXSA-N 313.379 -0.103 30 20 DBED C=CC[C@@H](CO)CNC(=O)C(=O)Nc1ccnc(OCCO)c1 657774779 DVZMRCPKGSBONC-LLVKDONJSA-N 323.349 -0.308 30 20 DBED N#CCNC(=O)c1ccc(-n2ncc(-c3nn[nH]n3)c2N)cc1 737695988 NJHCYKKRVSSNGE-UHFFFAOYSA-N 309.293 -0.112 30 20 DBED C#C[C@H](NC(=O)C(=O)NCCC(=O)N[C@@H](C)CC)[C@@H]1CCCO1 793666551 NRQZGTXYEVOBJF-AVGNSLFASA-N 323.393 -0.296 30 20 DBED C#CCC[C@H](O)CNC(=O)NC1CCN(CC(=O)N(C)C)CC1 798409197 KRLLHZHTWSWQMO-AWEZNQCLSA-N 324.425 -0.388 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@H]1CCN(C2CC2)C1)[C@@H]1CCCO1 803179073 GGGYTTUNYFIADX-UBHSHLNASA-N 305.378 -0.364 30 20 DBED CC[C@@]1(C)NC(=O)N(NS(=O)(=O)c2ccc(C#N)nc2)C1=O 808309598 FSMDUPHPGYFROM-GFCCVEGCSA-N 323.334 -0.133 30 20 DBED C#CCCS(=O)(=O)NC(=O)CC1(CS(C)(=O)=O)CC1 810784867 QNGQVIFZAGGFFK-UHFFFAOYSA-N 307.393 -0.329 30 20 DBED C#C[C@@H](NC(=O)C(=O)NCc1ccnn1CC)[C@@H]1CCCO1 829213678 AJZPCBAJCSNFMD-OLZOCXBDSA-N 304.350 -0.184 30 20 DBED N#Cc1ccc(C(=O)N2CCCC[C@@H]2CNS(N)(=O)=O)o1 854841594 ZXMRVNYWSFGAJZ-SECBINFHSA-N 312.351 -0.061 30 20 DBED C#CCOCCC(=O)N1CCN(S(=O)(=O)C2CC2)CC1 862632381 NMQVSBSIQAEWQU-UHFFFAOYSA-N 300.380 -0.337 30 20 DBED N#CCCN1CCN(C(=O)C(=O)NCC[C@@H]2CCNC2)CC1 884691505 JRCOIIWIBGYBCU-ZDUSSCGKSA-N 307.398 -0.840 30 20 DBED C#CC1(O)CN(C(=O)NCC2(OCCOC)CCOCC2)C1 895101251 CDGCMCQVNDUYLZ-UHFFFAOYSA-N 312.366 -0.412 30 20 DBED C#CC1(O)CN(S(=O)(=O)[C@@H]2CCCC[C@@H]2C(=O)OC)C1 908228610 QBFSAWYMODFZKU-WDEREUQCSA-N 301.364 -0.272 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)NCCO[C@H]1CCOC1 931094011 NAXYDDSFEJPYHQ-STQMWFEESA-N 312.366 -0.547 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@H](CNC(=O)c2cnccn2)C1 944457672 LMNRHHUZXMLWLL-WDEREUQCSA-N 303.322 -0.407 30 20 DBED C#Cc1cncc(C(=O)N(C)C2CN(C(=O)c3cn(C)nn3)C2)c1 955262523 BYBCAFWOCPGZLY-UHFFFAOYSA-N 324.344 -0.212 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2ccc3c(c2)NC(=O)C3)C1 958080608 CJZULHCFEJPHLZ-UKRRQHHQSA-N 313.357 -0.163 30 20 DBED CC#CCN1C[C@@H](O)[C@H](CNC(=O)c2cnn3c2OCCC3)C1 958220281 WFMFQDRPEZJEIX-TZMCWYRMSA-N 318.377 -0.289 30 20 DBED C=CCCN1C[C@@H](O)[C@H](CNC(=O)c2cn(C)c(=O)cn2)C1 958272925 NZJXHDQLZDGMNA-DGCLKSJQSA-N 306.366 -0.621 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2cnn(CCN(C)C)c2)C1 958468062 RCODHJRXCYHGQN-HIFRSBDPSA-N 319.409 -0.900 30 20 DBED C[C@@H](C#N)C(=O)N1CCCC[C@H]1CNCc1nc(=O)n(C)[nH]1 959925932 PMFJDWQEMQYELX-QWRGUYRKSA-N 306.370 -0.261 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)C1CCOCC1 964063925 SFVYGLPAYPNWFA-WCQYABFASA-N 309.366 -0.084 30 20 DBED Cc1n[nH]cc1C(=O)NC[C@H]1COCCN1C(=O)[C@H](C)C#N 964291391 IZXNQPKJUDIWGA-KOLCDFICSA-N 305.338 -0.165 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)c1ncccn1 964318864 HYXPBJDAYMWPKY-GHMZBOCLSA-N 303.322 -0.407 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC2(CN(C(=O)c3ncccn3)C2)C1 965472334 KSXOAGHCJFCVOE-NSHDSACASA-N 315.333 -0.310 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)C(N)=O)CC1(C)C 967140390 ARGJJMLZTRNZCR-GRYCIOLGSA-N 323.393 -0.194 30 20 DBED C=CCN1CC[C@H](C)[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)C1 968597381 WWHPTHWUVVVIPT-AAEUAGOBSA-N 307.398 -0.097 30 20 DBED C[C@@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)[C@@H]1CN(C)CCO1)C2 969807644 RVESVAADBMVZIV-XUXIUFHCSA-N 320.393 -0.322 30 20 DBED CC#CCN1C[C@H]2CC[C@H]1CN2C(=O)CN1CCOCC1=O 971468510 ASHZOTZJGFUAGI-UONOGXRCSA-N 305.378 -0.456 30 20 DBED CC#CCN1CCO[C@@]2(CCN(C(=O)C3(C(N)=O)CC3)C2)C1 972528665 SSIWZBRQLDLSRW-HNNXBMFYSA-N 305.378 -0.422 30 20 DBED CC[C@@H]1[C@@H](NC(=O)Cn2nccn2)CCN1C(=O)[C@@H](C)C#N 984926034 AQZUGTVKEPGBEB-SDDRHHMPSA-N 304.354 -0.067 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](CN(C)C(=O)c2ncn(C)n2)C1 988283746 HMMVJZMLSGBANU-MNOVXSKESA-N 304.354 -0.105 30 20 DBED C=C(C)CN[C@H]1C[C@H](C)N(C(=O)c2cn(CC(N)=O)nn2)C1 989831962 NXVXWKJAYKGCKR-QWRGUYRKSA-N 306.370 -0.468 30 20 DBED CC(=O)N[C@H]1CC(=O)N(C2CN(C(=O)c3c[nH]c(C#N)c3)C2)C1 995455690 MEKIMFCOLYZQOS-LBPRGKRZSA-N 315.333 -0.552 30 20 DBED C#CCN1CC[C@H](n2cc(CNC(=O)[C@H]3CCOC3)nn2)C1 999964319 YUONQGTZSQEDKN-JSGCOSHPSA-N 303.366 -0.189 30 20 DBED C#CCN1CCC(NC(=O)c2coc(S(N)(=O)=O)c2)CC1 1003184528 JMOPMSRQQDSPPH-UHFFFAOYSA-N 311.363 -0.246 30 20 DBED C[C@H](C#N)C(=O)N1CC(CNC(=O)c2ccn3nnnc3c2)C1 1003547866 BTPJWAZNBYJYON-SECBINFHSA-N 313.321 -0.528 30 20 DBED O=C1CC[C@H](C(=O)NC2[C@H]3CN(C(=O)C#CC4CC4)C[C@H]23)CN1 1013373123 BUQYQZUTVAOYHG-AVGNSLFASA-N 315.373 -0.501 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)c2nccnc2N)[C@@H]1C 1020534237 DRGYRJISTPXMNC-GUBZILKMSA-N 302.338 -0.062 30 20 DBED C#CCCN1CC[C@@H](CNC(=O)c2nccnc2C(N)=O)C1 1028975093 ZCKRSWXHCJIHBU-NSHDSACASA-N 301.350 -0.350 30 20 DBED CC#CCN1CC(NC(=O)Cn2nnc(-c3ccco3)n2)C1 1030594922 VIHHIRGUDDJEAR-UHFFFAOYSA-N 300.322 -0.243 30 20 DBED C#CCCN1CC(NC(=O)C2(n3cnnn3)CCOCC2)C1 1031087835 YMFKSVWJRJCRPD-UHFFFAOYSA-N 304.354 -0.998 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2CC(=O)NC1CCOCC1 1032319597 ZYEGBHDFCSSMOQ-XBFCOCLRSA-N 320.393 -0.274 30 20 DBED C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3[C@H]2CCNC2=O)nc1 1032738360 YLEBILXCMWWYID-YDHLFZDLSA-N 310.357 -0.150 30 20 DBED C#CCN1CCC2(CCN(C(=O)C[C@@H]3NC(=O)NC3=O)CC2)C1 1035194927 IFBKKFTURCMKRO-LBPRGKRZSA-N 318.377 -0.468 30 20 DBED CNC(=O)CN1CCO[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1 1035331451 JGLYVEJEHANINB-LLVKDONJSA-N 305.338 -0.937 30 20 DBED N#Cc1ccc(C(=O)NC[C@H]2CN([C@H]3CCNC3=O)CCO2)[nH]1 1035342099 JZGZNKBXJWAURH-AAEUAGOBSA-N 317.349 -0.795 30 20 DBED CC#CCN1CC[C@H]1CNC(=O)c1ccc(-n2cnnn2)cn1 1038550617 OZRGBVUOBXHJGK-LBPRGKRZSA-N 311.349 -0.115 30 20 DBED C=C(C)CCN1CC[C@@H]1CNC(=O)c1cn(C)c(=O)n(C)c1=O 1038766852 IMPCPYUWTSNYRM-GFCCVEGCSA-N 320.393 -0.146 30 20 DBED CC[C@@H](C(=O)N1CC[C@](O)(CNC(=O)C#CC2CC2)C1)N(C)C 1039680602 JMGBMTRIMLAQRS-YOEHRIQHSA-N 321.421 -0.180 30 20 DBED N#Cc1nccnc1N1C[C@@H](O)[C@H](NC(=O)CN2CCCC2)C1 1041053265 QALQBINTUXFXNR-CHWSQXEVSA-N 316.365 -0.890 30 20 DBED N#Cc1ccc(NC[C@@H]2CN(C(=O)C(N)=O)CCCO2)nc1 1041523674 GYEAFHTZEQZWDQ-LLVKDONJSA-N 303.322 -0.532 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)CCC2CC2)C1 1042187058 MGJQVYCFHWKAFT-LBPRGKRZSA-N 308.378 -0.096 30 20 DBED C=CCN1CC[C@@H]2CCN(C(=O)CN3CC(=O)NC3=O)C[C@H]21 1042271623 DACKZGFQRVCFRD-VXGBXAGGSA-N 306.366 -0.353 30 20 DBED O=C(NCC1(O)CN(C(=O)C#CC2CC2)C1)c1ccncc1F 1042273244 OWXBWEVHUVZGRV-UHFFFAOYSA-N 317.320 -0.063 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)C2=COCCO2)C1 1042802822 NUHNOJRIQPDLBD-UHFFFAOYSA-N 308.334 -0.632 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(O)CN(C(=O)C[C@H](C)OC)C1 1042806946 MYGWLMLFGXDPLU-FZMZJTMJSA-N 314.382 -0.572 30 20 DBED Cc1cc(C(=O)NCC2(O)CN(C(=O)[C@H](C)C#N)C2)ns1 1042815781 CEOUSTJGXSDEOY-MRVPVSSYSA-N 308.363 -0.086 30 20 DBED C=CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)[C@H](O)C(C)C)C1 1042880280 GIHKMYOODNPLQV-VXGBXAGGSA-N 314.382 -0.716 30 20 DBED CO[C@@H](C(=O)N1CC(O)(CNC(=O)C#CC(C)C)C1)C1CC1 1042936774 PNKRSKSNRNNOOA-CQSZACIVSA-N 308.378 -0.240 30 20 DBED C=C(C)CCC(=O)NCC1(O)CN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 1043316124 WVQAIUOKJGWNSU-MNOVXSKESA-N 309.366 -0.846 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)c2cn(C)ccc2=O)C1 1044172366 FBJWHIODJYNOKD-UHFFFAOYSA-N 319.361 -0.345 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)C[C@H]2CCC(=O)N2)C1 1044460643 WDTVLZZEAWXZEE-LLVKDONJSA-N 323.393 -0.443 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)c3ccnnc3)C2)cn1 1044576746 NKIWQOMGPKTQNL-KGLIPLIRSA-N 310.317 -0.277 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)c2cccnc2C)C1 1044752140 WFBNEAVMXRHAGM-UHFFFAOYSA-N 319.361 -0.104 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)C[C@@H]2CCCCO2)C1 1045539953 BKBAUCVYYOSRCO-NEPJUHHUSA-N 309.366 -0.205 30 20 DBED C#CCN1CC[C@@H](N2CCN(C(=O)[C@@]3(C)CCNC3=O)CC2)C1 1046060957 GMLLRUFVBZAOSH-PBHICJAKSA-N 318.421 -0.636 30 20 DBED C=CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)c2ccnnc2)C1 1047131342 MROKEKRXXZRXQC-LLVKDONJSA-N 320.349 -0.629 30 20 DBED C=CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(=O)n(C)n2)C1 1047619370 OTOHSXJUUBIWPQ-STQMWFEESA-N 306.366 -0.527 30 20 DBED C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1cnc(O)n(C)c1=O 1049633763 LUNSMOPIIGCHEF-OLZOCXBDSA-N 316.361 -0.202 30 20 DBED C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1c(O)nnc1O 1049868660 VPUJCEBUDOPGMU-GHMZBOCLSA-N 305.338 -0.612 30 20 DBED CN(C)c1cnc(C(=O)NC[C@H]2COCCN2CC#N)cn1 1050916883 GATQEGMBFRCJCV-NSHDSACASA-N 304.354 -0.503 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)[C@@H]1CC(=O)N(CC(C)C)C1 1050945264 KCJDEXSAHGFDIK-HUUCEWRRSA-N 321.421 -0.059 30 20 DBED Cn1nccc1[C@@H]1C[C@H]1C(=O)NC[C@@H]1COCCN1CC#N 1051045801 ZHVQOCOSFKHXCL-JHJVBQTASA-N 303.366 -0.136 30 20 DBED N#CCN1CCOC[C@H]1CNC(=O)c1nc2ncccn2n1 1051174778 KQTOTOXSVAVWTF-SNVBAGLBSA-N 301.310 -0.922 30 20 DBED CC#CCN1CCN([C@H]2CCN(C(=O)[C@H]3CCC(=O)N3)C2)CC1 1051997327 AFRXTTADRXKWHX-LSDHHAIUSA-N 318.421 -0.493 30 20 DBED Cn1cncc1C(=O)N1CC[C@H](N2CCN(CC#N)CC2)C1 1052047205 ITNXIQYRYLWQOQ-ZDUSSCGKSA-N 302.382 -0.224 30 20 DBED C#CCN1CCN([C@@H]2CCN(C(=O)[C@]3(F)CCOC3)C2)CC1 1052071564 VYKGUMVYMZGIPJ-ZBFHGGJFSA-N 309.385 -0.033 30 20 DBED CCn1cc(CC(=O)N[C@@H]2COC3(C2)CN(CC#N)C3)nn1 1053879772 ZIRMTCZVYLDBOX-LBPRGKRZSA-N 304.354 -0.676 30 20 DBED CS(=O)(=O)CC(=O)N1CCN(c2nccnc2C#N)CC1 1055734435 WFTMVPCHWAEZNX-UHFFFAOYSA-N 309.351 -0.959 30 20 DBED C[C@@H](C#N)C(=O)N[C@@]1(CO)CCCN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1056098016 YILZFPKTXWIMMJ-WKIHFJMMSA-N 321.377 -0.492 30 20 DBED CN1CC[C@H](C(=O)NC2[C@@H]3CN(c4cnc(C#N)cn4)C[C@@H]23)C1 1056229264 XAEYIKCZCJVSJX-CYZMBNFOSA-N 312.377 -0.149 30 20 DBED Cc1nonc1C(=O)N[C@H]1[C@@H]2CN(c3cnc(C#N)cn3)C[C@@H]21 1056240881 BUOXZPKBRHILNX-IWIIMEHWSA-N 311.305 -0.096 30 20 DBED N#Cc1cncc(N2C[C@@H]3C(NC(=O)Cc4ncc[nH]4)[C@H]3C2)n1 1056275872 JVHVCRKCXFLZQL-QWRGUYRKSA-N 309.333 -0.135 30 20 DBED Cc1cc(C#N)nc(N[C@@H]2CCN(C(=O)Cn3cncn3)C2)n1 1056635231 JQUCPCSQYJXGEY-LLVKDONJSA-N 312.337 -0.039 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)[C@@H]1C[C@H]1OCC 1057087834 SHTCJFCRWFRBSS-CHWSQXEVSA-N 314.382 -0.449 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)Cc1cnn(C)c1 1057164980 WNMRIJHCGUSAKZ-UHFFFAOYSA-N 320.393 -0.297 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)Cc1nc[nH]n1 1057442885 SLVYZUPJPRCFBO-UHFFFAOYSA-N 307.354 -0.912 30 20 DBED Cn1cnc(C(=O)N[C@@H]2CCCN(c3cncc(C#N)n3)C2)n1 1058154122 VGSFZMGBHFBSJL-SNVBAGLBSA-N 312.337 -0.124 30 20 DBED N#Cc1ccc(N2CC[C@H](NC(=O)[C@H]3CCCNC3=O)C2)nn1 1058467854 UUCMYNMUGQGHDR-RYUDHWBXSA-N 314.349 -0.431 30 20 DBED N#Cc1cccnc1N1CC[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1 1058531075 GQAKNWQZPHXYNU-GHMZBOCLSA-N 300.322 -0.670 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)[C@@]1(F)CCOC1 1058663260 MHQRQWVCVLHZBQ-ZWNOBZJWSA-N 301.318 -0.788 30 20 DBED CN(C)CCC(=O)N(CCO)CCNC(=O)CSCC#N 1058707807 OPUPGKMBUSQNBA-UHFFFAOYSA-N 316.427 -0.868 30 20 DBED CN1C[C@H](C(=O)N[C@H]2C[C@H](Nc3cncc(C#N)n3)C2)CC1=O 1059446200 MEIGEDHNBBESGF-GMTAPVOTSA-N 314.349 -0.114 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@H]1COCCN1C(=O)c1cc[nH]n1 1061542047 HJADVQGOCVKYDA-NHYWBVRUSA-N 322.365 -0.306 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)CCn1ccnc1 1061852675 LEUOUAIGDSXEFP-STQMWFEESA-N 319.365 -0.224 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(NC(=O)c2ncn(C)n2)CCC1 1063041710 BYRDSEKPYVJAKO-NSHDSACASA-N 319.365 -0.378 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CN(C(=O)Cc2cncnc2)CCO1 1065095640 LXIRMYJGKOOHJE-YPMHNXCESA-N 317.349 -0.478 30 20 DBED CC(C)C#CC(=O)N1CCO[C@H](CNC(=O)c2cnnn2C)C1 1065129848 WBFMSUYJYFOKHY-GFCCVEGCSA-N 319.365 -0.568 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CN(C(=O)c2ncccn2)CCO1 1065511604 GPLNVYRRRJGTJZ-WDEREUQCSA-N 303.322 -0.407 30 20 DBED C=CCCCC(=O)N1CCO[C@H](CNC(=O)Cn2cncn2)C1 1065547988 GHXBPTJSALKNSW-CYBMUJFWSA-N 321.381 -0.022 30 20 DBED C=C1CC(C)(C(=O)N2CCO[C@H](CNC(=O)CC(N)=O)C2)C1 1065594867 ANTDXANIPFHYGZ-LLVKDONJSA-N 309.366 -0.438 30 20 DBED CCN(C)CCC(=O)N1CCO[C@H](CNC(=O)[C@H](C)C#N)C1 1065611625 HARLCKRNHAASFC-CHWSQXEVSA-N 310.398 -0.169 30 20 DBED N#Cc1cncc(NC[C@H]2CN(C(=O)c3cnon3)CCO2)n1 1066640287 RYGMZYIQEOKYQC-JTQLQIEISA-N 315.293 -0.316 30 20 DBED C#CCO[C@H](C)C(=O)N(C)CCCN(C)C(=O)CC(=O)NC 1067261926 AVHHPNLJFAVERE-GFCCVEGCSA-N 311.382 -0.532 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCCN(C)C(=O)C[C@@H]1CCNC1=O 1067593018 UKWGVDALUONOMY-RYUDHWBXSA-N 308.382 -0.021 30 20 DBED N#Cc1cncc(N2C[C@H]3[C@H](CNC(=O)c4cnon4)[C@H]3C2)n1 1068180309 HALQXDQDSMGPPX-RTCCRHLQSA-N 311.305 -0.157 30 20 DBED CC(C)(C)C#CC(=O)N1CC2(C[C@@H](NC(=O)CC(N)=O)CO2)C1 1068779262 MRGNASCEWFRZEP-LLVKDONJSA-N 321.377 -0.603 30 20 DBED C[C@H]1C[C@H](Nc2cnc(C#N)cn2)CN1C(=O)CS(C)(=O)=O 1069038981 AHTMQWYUCFMVIG-UWVGGRQHSA-N 323.378 -0.206 30 20 DBED C=C1CC(C)(C(=O)N2C[C@H](n3ccnn3)[C@H](NCC(N)=O)C2)C1 1070271157 FATBNQHZFJYPRA-NEPJUHHUSA-N 318.381 -0.539 30 20 DBED NC(=O)CN[C@@H]1CCO[C@H]1C1CCN(C(=O)C#CC2CC2)CC1 1071055710 SJOIDVCNWPHALG-PBHICJAKSA-N 319.405 -0.129 30 20 DBED CC#CCN1CCCO[C@H](CNC(=O)[C@@H]2CCNC(=O)C2)C1 1073572291 WTUQKGMWUDLPGK-ZIAGYGMSSA-N 307.394 -0.257 30 20 DBED Cn1nccc1CC(=O)N1CC[C@@H]2OCCN(CC#N)[C@H]2C1 1074226719 VPKBRTJVLCXKQP-KBPBESRZSA-N 303.366 -0.212 30 20 DBED C#CCN[C@H]1CCN(C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)[C@H]1C 1074648809 JDRZHQLUONCVTA-SCRDCRAPSA-N 315.377 -0.025 30 20 DBED Cn1ccnc1CN1C[C@@H](O)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 1076897166 HZRSIFLPJFWEHE-CHWSQXEVSA-N 314.349 -0.405 30 20 DBED COc1ccnc(OC)c1C(=O)N[C@@H]1CN(CC#N)C[C@H]1O 1077371383 KFIFUERPHSQEFX-NXEZZACHSA-N 306.322 -0.603 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2cnc(C3CC3)nc2O)C1 1077792098 ACYRKOQGPRCGMC-GHMZBOCLSA-N 303.322 -0.642 30 20 DBED CCN(C(=O)Cc1n[nH]c(C)n1)C1CN(C(=O)[C@@H](C)C#N)C1 1079745920 SVSDXVVHUFZNHF-VIFPVBQESA-N 304.354 -0.125 30 20 DBED C=CCN1CC[C@@H](N2C[C@@H](NC(=O)c3cnn[nH]3)[C@H](C)C2)C1=O 1080028273 AEFQNFBQDAOIDI-RAIGVLPGSA-N 318.381 -0.358 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)c2cnn(C)n2)C1 1080094128 LNGXZUPWONJZDZ-NSHDSACASA-N 319.365 -0.474 30 20 DBED C[C@H](C#N)C(=O)NC1(CO)CCN(C(=O)[C@H]2CCOC2)CC1 1080979840 BZWWYLFIPDKBOE-NEPJUHHUSA-N 309.366 -0.348 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@H](CNC(=O)Cn2cccn2)C1 1081253799 KRXNJAPJMFYYCE-OLZOCXBDSA-N 322.365 -0.979 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@H](CNC(=O)CC(C)(C)O)C1 1081449456 IAGKWIHRWJGKMY-VXGBXAGGSA-N 314.382 -0.715 30 20 DBED CC(F)(F)C(=O)N1C[C@@H](O)[C@H](CNC(=O)C#CC2CC2)C1 1081469521 YFJLKKJSTLWAHB-GHMZBOCLSA-N 300.305 -0.010 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(C(=O)COCC=C)C[C@H]1O 1081488479 IQYKOMQKXATQNB-ZIAGYGMSSA-N 324.377 -0.836 30 20 DBED C=CCN1C[C@@H](NC(=O)c2nccnc2C(N)=O)[C@H](OC)C1 1082362124 MTGWSFOAPFGTPZ-NXEZZACHSA-N 305.338 -0.810 30 20 DBED C=C(C)CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CN(C)C(=O)N1 1083162822 IOMPKBVUWUAONS-HZSPNIEDSA-N 322.409 -0.112 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)Cc2cnn3c2CCCC3)C1 1083541491 JHTALIDGGSKIOL-ZBFHGGJFSA-N 316.405 -0.054 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)Cn2ncc3cccnc32)C1 1083651573 ANTZWXLWCDEFTP-KGLIPLIRSA-N 313.361 -0.384 30 20 DBED N#CCN1CC[C@@H]2CN(C(=O)CC[C@H]3NC(=O)NC3=O)[C@@H]2C1 1084819538 GENONOFTGWHZEM-GMTAPVOTSA-N 305.338 -0.969 30 20 DBED C#CCN[C@H]1CCCCCN(C(=O)CC[C@@H]2NC(=O)NC2=O)C1 1088421828 AMUWCNWUDHTUJA-STQMWFEESA-N 320.393 -0.031 30 20 DBED CCN(c1nccnc1C#N)[C@H](C)CNC(=O)[C@H]1C[C@H]1C(N)=O 1089752412 MCEPQKJSMVTLAV-MXWKQRLJSA-N 316.365 -0.199 30 20 DBED C=C(C)CCN1CC[C@H](NC(=O)c2c[nH]c(=O)cn2)[C@@H](O)C1 1090527053 WMLVTSDVVMIYQR-AAEUAGOBSA-N 306.366 -0.099 30 20 DBED COCCCCC(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1091086876 ZJKFNHNBLPLOBJ-NEPJUHHUSA-N 319.365 -0.169 30 20 DBED CC[C@@H](OC)C(=O)N[C@@H]1CN(c2nc(C)cc(C#N)n2)C[C@@H]1O 1091088066 VVYSFHOXGMPRFE-FRRDWIJNSA-N 319.365 -0.253 30 20 DBED CN(C)CCC(=O)N[C@@H]1CCN(c2cnc(C#N)cn2)C[C@@H]1O 1092172793 HXDGGWWHKXGHSN-OLZOCXBDSA-N 318.381 -0.644 30 20 DBED COCC(=O)N(C)CC(=O)NCCNc1nc(C)ccc1C#N 1094190857 YNZGYLAWVCSGPR-UHFFFAOYSA-N 319.365 -0.105 30 20 DBED N#Cc1ccc(NCCCNC(=O)CN2CCCC2=O)nn1 1094315069 SNGVIPCTPHVPNI-UHFFFAOYSA-N 302.338 -0.111 30 20 DBED Cc1ncsc1C(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1 1094710131 QGQWAVXFDDBDPI-SNVBAGLBSA-N 319.390 -0.010 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)c3nnn(C)c3C)CC2=O)C1 1094717402 JRWMHFQQMHCDPO-LLVKDONJSA-N 318.381 -0.676 30 20 DBED CN1C(=O)CC[C@@H]1C(=O)NCCCNc1cncc(C#N)n1 1094732247 AWIOWASZXFQQSJ-LLVKDONJSA-N 302.338 -0.113 30 20 DBED N#CCN1CC(N2C[C@@H](NC(=O)Cc3cscn3)CC2=O)C1 1094791668 HGKJIMAFSDWAHF-JTQLQIEISA-N 319.390 -0.390 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)Cc3cscn3)CC2=O)C1 1094792623 RPIXDWUCLZTXDE-NSHDSACASA-N 318.402 -0.280 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)Cc3cncn3C)CC2=O)C1 1094807886 GNZAYKNNZZNUSR-GFCCVEGCSA-N 317.393 -0.450 30 20 DBED N#CCN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1nnc(O)nc1O)C2 1094954528 ASLHLTRBQYRQSQ-CIUDSAMLSA-N 304.310 -0.611 30 20 DBED N#CCN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN1C(=O)CCC1=O)C2 1095052473 PZJMIKFHEHIFHK-TUAOUCFPSA-N 304.350 -0.372 30 20 DBED CN(CCCNC(=O)[C@H]1COC(=O)N1)c1cnc(C#N)cn1 1095546514 CAAYMDXXPCVGHH-SNVBAGLBSA-N 304.310 -0.601 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1C[C@H](Nc2ncc(F)cn2)C1 1097015215 XDFUSNQDTJEODV-XYPYZODXSA-N 305.313 -0.186 30 20 DBED C[C@@H](CNC(=O)c1nnn(C)n1)Nc1ncc(C#N)cc1F 1098199894 JPZTZAKCGPGWDE-ZETCQYMHSA-N 304.289 -0.154 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CC(=O)N(C)C1)N=c1cc[nH]c(C#N)n1 1098346449 PZLSLXMSDCHTFO-VHSXEESVSA-N 302.338 -0.835 30 20 DBED C#CCCN(CCO)C1CCN(C(=O)[C@@H]2CCN(C)C2=O)CC1 1098457258 YWJMWVFGBMRTIY-OAHLLOKOSA-N 321.421 -0.227 30 20 DBED N#Cc1ccc(NC[C@@H]2CCN(C(=O)CNC(N)=O)C2)nn1 1098501051 QEIIPQNQSWSEMC-VIFPVBQESA-N 303.326 -0.723 30 20 DBED C[C@H](CCNC(=O)CN1CCOCC1)Nc1nccnc1C#N 1099091778 QJXJCQVOAPJVAC-GFCCVEGCSA-N 318.381 -0.013 30 20 DBED COCC#CCN1CC[C@H](NC(=O)Cc2cc(C)[nH]n2)[C@H](O)C1 1099760012 CEAYDJLVYCPUMC-LSDHHAIUSA-N 320.393 -0.538 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)C#CC(C)C)[C@H](O)C1 1099822069 ZYMPTSFXKGINOY-ZIAGYGMSSA-N 307.394 -0.501 30 20 DBED N#CCN1CC[C@H](NC(=O)CCn2ccccc2=O)[C@@H](O)C1 1099857725 AXCREXOMJJTLAV-STQMWFEESA-N 304.350 -0.687 30 20 DBED C=CCCN1CC[C@H](NC(=O)CCNS(C)(=O)=O)[C@H](O)C1 1099860489 CQCSAFYECVDQQS-NWDGAFQWSA-N 319.427 -0.947 30 20 DBED C#CCN1CC[C@H](NC(=O)COCc2ncc(C)o2)[C@H](O)C1 1099914019 QBUATSWQNCNBAA-QWHCGFSZSA-N 307.350 -0.316 30 20 DBED C=C/C(C)=C\CC(=O)N[C@@H]1CCN(CC(=O)NCC#N)C[C@H]1O 1099955696 YAECDGAVJDYHQF-RHHBVARJSA-N 320.393 -0.300 30 20 DBED CCCC(=O)NCC(=O)NCCN(C)c1cnc(C#N)cn1 1099975233 XCNFVXJKLWWNRM-UHFFFAOYSA-N 304.354 -0.183 30 20 DBED CN(CCNC(=O)CCc1nc[nH]n1)c1ccnc(C#N)n1 1100018498 ZTPXWLARLYJUQD-UHFFFAOYSA-N 300.326 -0.348 30 20 DBED N#CCN1CC[C@@H](NC(=O)CCc2nc(C3CC3)no2)[C@@H](O)C1 1100027705 VVSZXNRHWHEBEA-NEPJUHHUSA-N 319.365 -0.045 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)Cc2ncc[nH]2)[C@@H](O)C1 1100048637 OOLZFDCLCMCZNQ-OLZOCXBDSA-N 306.366 -0.847 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CCCn2cncn2)[C@@H](O)C1 1100064750 QTIKMWRQTQWEQY-KGLIPLIRSA-N 305.382 -0.367 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CCCC(=O)NCC)[C@H](O)C1 1100078643 MGVAORGKJBYTEG-ZIAGYGMSSA-N 309.410 -0.133 30 20 DBED CN(CCNC(=O)c1cc(C(N)=O)co1)c1cncc(C#N)n1 1100320252 SZMXPLYHHHJWPY-UHFFFAOYSA-N 314.305 -0.094 30 20 DBED CCN1CCOC[C@@H]1C(=O)N(C)CCNc1cncc(C#N)n1 1101844901 WKIFLXOOTWENLK-CYBMUJFWSA-N 318.381 -0.061 30 20 DBED CN(CCNc1ccc(C#N)nn1)C(=O)c1cn(C)c(=O)cn1 1102048188 MMRLJIJFWLVMNG-UHFFFAOYSA-N 313.321 -0.374 30 20 DBED C[C@@H](CN=c1cc[nH]cc1C#N)N(C)C(=O)Cn1ncnn1 1104688365 FVCFOQRLMAJORX-JTQLQIEISA-N 300.326 -0.679 30 20 DBED C[C@H](CNc1ccc(C#N)nn1)N(C)C(=O)Cn1ncnn1 1104688918 PGOUIEQBLMRIGB-SECBINFHSA-N 301.314 -0.706 30 20 DBED CN(CCN(C)c1ccc(C#N)nn1)C(=O)[C@@H]1CCCNC1=O 1105486006 JTCDREMQTMCQMP-GFCCVEGCSA-N 316.365 -0.231 30 20 DBED CN(CCN(C)c1ccc(C#N)nn1)C(=O)[C@H]1CCC(=O)NC1 1105599750 LRZYIHKYNADHLF-NSHDSACASA-N 316.365 -0.231 30 20 DBED Cc1cc(=NC[C@H](O)CNC(=O)c2cnsn2)c(C#N)c[nH]1 1105722853 ADIPASWIXWVTPY-JTQLQIEISA-N 318.362 -0.262 30 20 DBED Cc1cc(C(=O)NC[C@@H](O)CN=c2cc[nH]c(C#N)n2)on1 1105746346 GTKISQLLKMWKCG-VIFPVBQESA-N 302.294 -0.731 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNc1ncnc2c1CN(C)CC2 1105771540 NOOHQNANWNLWHV-QWRGUYRKSA-N 318.381 -0.487 30 20 DBED N#Cc1cnc(NC[C@H](O)CNC(=O)CC2OCCCO2)cn1 1105810137 ONXJYMFZJRSSFR-NSHDSACASA-N 321.337 -0.610 30 20 DBED Cc1nccn1CC(=O)NC[C@H](O)CNc1nccnc1C#N 1105866924 MVIVYSWGHBZSOL-NSHDSACASA-N 315.337 -0.558 30 20 DBED C=CCCOCC(=O)NC[C@H](O)CNc1nccc(OC)n1 1105890533 SLJWUJYJVWDWAP-NSHDSACASA-N 310.354 -0.033 30 20 DBED C[C@@H](CC(=O)NC[C@@H](O)CNc1ccc(C#N)cn1)NC(N)=O 1105972021 ASDIIZHMMSGMTH-ONGXEEELSA-N 320.353 -0.711 30 20 DBED C[C@@H](CCNc1cncc(C#N)n1)NC(=O)[C@H]1CN(C)CCO1 1106293110 BKPZXVYJNUEGED-WCQYABFASA-N 318.381 -0.014 30 20 DBED CC(=O)NCC(=O)NC/C=C/CNc1nc(C)cc(C#N)n1 1107010438 BMLAJDKOUIIWHW-ONEGZZNKSA-N 302.338 -0.123 30 20 DBED C[C@H](CNc1cnc(C#N)cn1)NC(=O)[C@H]1CCS(=O)(=O)C1 1108000815 BARXLASAWHKIHY-ZJUUUORDSA-N 323.378 -0.300 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)CN1CCCCC1=O 1108205997 CCEZBTHXFZWKEV-LLVKDONJSA-N 316.365 -0.301 30 20 DBED C[C@H](CNc1ccc(C#N)nc1)NC(=O)c1nnc(O)nc1O 1108208721 PNXQYDZADUOYGT-SSDOTTSWSA-N 315.293 -0.220 30 20 DBED C#CCCN1CCO[C@](C)(CNC(=O)C[C@H]2CCC(=O)N2)C1 1108275572 HYIANQMKFDSLNB-CZUORRHYSA-N 307.394 -0.115 30 20 DBED C[C@@H](CNc1cnc(C#N)cn1)NC(=O)c1ccc(=O)n(C)n1 1108377694 GKRFLDZDMLYHRJ-VIFPVBQESA-N 313.321 -0.328 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)[C@@H]2COCCN2C(C)=O)C1 1108407915 FICBPFIXYZMNJN-HOCLYGCPSA-N 323.393 -0.926 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)COC1CCOCC1 1108518736 IIQSTMLOBMCXSV-NSHDSACASA-N 319.365 -0.118 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)C3(CCOC)CC3)CC2=O)C1 1108550064 VTKGSTNGVSOIDP-ZDUSSCGKSA-N 319.405 -0.162 30 20 DBED CCNC(=O)CC(=O)N[C@@H](CN=c1cc[nH]c(C#N)n1)C1CC1 1109815339 XLRBVKWAUQSUKI-NSHDSACASA-N 316.365 -0.397 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H]1COCCN1C 1110451958 CPMRFOOISKMJCT-LVQVYYBASA-N 321.421 -0.312 30 20 DBED C[C@]1(NC(=O)Cn2ncnn2)CCN(c2ccc(C#N)cn2)C1 1110786168 ODKUWJKFOAGXHJ-AWEZNQCLSA-N 312.337 -0.275 30 20 DBED CNC(=O)NCC(=O)N[C@]1(C)CCN(c2ccc(C#N)nn2)C1 1110822218 DISXJXMVBVTDJY-CQSZACIVSA-N 317.353 -0.638 30 20 DBED C[C@H]1CN(c2ccc(C#N)cn2)CC[C@H]1NC(=O)CNC(N)=O 1112392938 NQWQKRAFTJIYIH-CMPLNLGQSA-N 316.365 -0.047 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)c2cnn(C)c2C)CC1 1112612005 QUAKJWQESJQYOI-CYBMUJFWSA-N 317.393 -0.376 30 20 DBED C#CCO[C@H](C)C(=O)N1CCN([C@@H]2CCN(CC)C2=O)CC1 1112846768 XLGPTGMLKOIVPU-ZIAGYGMSSA-N 307.394 -0.210 30 20 DBED C[C@H](NC(=O)c1nnn(C)n1)[C@@H](C)Nc1cnc(C#N)cn1 1113258186 BFSWPHPQTKAYDB-SFYZADRCSA-N 301.314 -0.509 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@H](C)N(C)c1nccn2nnnc12 1113582826 QDKDXAOUWKEMHK-HZMBPMFUSA-N 319.369 -0.213 30 20 DBED CCC[C@@H](NC(N)=O)C(=O)N1CCN(CC#CCOC)CC1 1113586635 WJOCVDOAROWRSF-CYBMUJFWSA-N 310.398 -0.383 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)c3cnccn3)[C@@H]2C1 1113790701 KTABHLXQXAQACM-QJPTWQEYSA-N 313.361 -0.726 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)[C@H]3CCCOC3)[C@@H]2C1 1114001632 GBJKMTFXOPYULV-YNEHKIRRSA-N 305.378 -0.791 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC3CC3)C[C@@H]21 1114193796 HPZISCXLTSDGFR-IXKJSCDLSA-N 321.421 -0.114 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)c3ccsn3)[C@H]2C1 1114450316 ZHMKDNXGBOFRDG-DCQANWLSSA-N 318.402 -0.059 30 20 DBED C[C@@H](CC(F)F)C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1114581821 MOYHUJZWUDZWPB-QISWUMQESA-N 314.336 -0.036 30 20 DBED CO[C@H](C)C(=O)NCCOCCN(C)c1ccnc(C#N)n1 1115183503 OOEOBAHHBASBEV-LLVKDONJSA-N 307.354 -0.048 30 20 DBED C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)NC[C@H](O)CO 1116721748 QAAVDQONISDGIT-ZJUUUORDSA-N 307.306 -0.615 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN3CCC[C@@H]3C2)CCO1 1117039528 ATRAOFYCCNHRSS-JHJVBQTASA-N 306.366 -0.520 30 20 DBED CC1(CO)CCN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)CC1 1118249432 MLZGAIYOHFLJLO-OAHLLOKOSA-N 309.366 -0.516 30 20 DBED C[C@H](CN(C)C(=O)[C@H]1CCCC(=O)N1)N=c1cc[nH]c(C#N)n1 1120207377 WPXGEWZKYAHJGU-GHMZBOCLSA-N 316.365 -0.302 30 20 DBED Cc1nc(N[C@@H](CO)CNC(=O)[C@H](C)C#N)c2cnn(C)c2n1 1121204421 HBYCLPSGQFJYLI-PSASIEDQSA-N 317.353 -0.280 30 20 DBED C=CCn1c(N(C)CCC(=O)NC)nnc1[C@@]1(C)CNC(=O)C1 1121496271 BUDRAMOKSMONNI-OAHLLOKOSA-N 320.397 -0.186 30 20 DBED Cc1cc(C#N)nc(N[C@H](CO)CNC(=O)c2n[nH]cc2C)n1 1121527794 FHHJDQMZAMSQFF-NSHDSACASA-N 315.337 -0.109 30 20 DBED Cc1cc(=N[C@H](CO)CNC(=O)CC2(O)CCC2)c(C#N)c[nH]1 1121529209 VTBZQODCJDDIFB-ZDUSSCGKSA-N 318.377 -0.122 30 20 DBED CCn1cnc(C(=O)NC[C@H](CO)Nc2ccc(C#N)nn2)c1 1121853756 GVPFFBGRSCXGGN-LLVKDONJSA-N 315.337 -0.233 30 20 DBED Cc1nn[nH]c1C(=O)N(C)C[C@@H](O)CNc1ncccc1C#N 1124633387 IKQSRUQKIOKKTR-NSHDSACASA-N 315.337 -0.075 30 20 DBED C=CCOCCCC(=O)NCCNC[C@H](O)Cn1cccn1 1125259791 DLFQTERTVSOLJA-AWEZNQCLSA-N 310.398 -0.067 30 20 DBED C#CCNC(=O)CC(=O)NCCN[C@H](C)C(=O)NCCC(C)C 1125997895 FOKDDTUGPFFUHC-CYBMUJFWSA-N 324.425 -0.618 30 20 DBED C=CCNC(=O)CN1CCn2ncc(CNC(=O)COC)c2C1 1128135885 BNRCYUZRXLZDAM-UHFFFAOYSA-N 321.381 -0.737 30 20 DBED CC#CCN[C@@H]1CN(C(=O)c2cnsn2)C[C@@H]1n1ccnn1 1129608038 ILSBOVKGAAZCSH-NEPJUHHUSA-N 317.378 -0.192 30 20 DBED CC#CCN1CCOC[C@@H]1c1n[nH]c(CNC(=O)CCOC)n1 1130820078 NBUFFYGYSDIGAY-GFCCVEGCSA-N 321.381 -0.146 30 20 DBED C=CCOCC(=O)N[C@@H](C)C[C@@H](C)NCCNS(C)(=O)=O 1133913740 WAFAGVJPANYUSG-NEPJUHHUSA-N 321.443 -0.389 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1ccnc(C2CC2)n1 1134622525 LBXCNCBFPWSLGK-UHFFFAOYSA-N 303.366 -0.024 30 20 DBED C=CCCCCCNCCNC(=O)C[C@H](NC(C)=O)C(N)=O 1134829235 FAYQJWMWPXRMPN-ZDUSSCGKSA-N 312.414 -0.181 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CCN(C(=O)CC)C1 1146912574 SCQLHDJTXRQJSG-QWHCGFSZSA-N 324.425 -0.359 30 20 DBED C=CCOCCN1CCCO[C@H](CNC(=O)c2cn(C)nn2)C1 1149661117 XBMHMQOZIJQOIA-CYBMUJFWSA-N 323.397 -0.162 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)CCCCCNC(C)=O 1150072075 UWPOGGMJONXCPP-ZDUSSCGKSA-N 324.425 -0.473 30 20 DBED CCN(CCN1C(=O)CNC1=O)[C@H](C)CNC(=O)[C@@H](C)C#N 1152413367 NVZGBHBTDUWTKJ-WDEREUQCSA-N 309.370 -0.476 30 20 DBED N#CCSCC(=O)NCCCNC[C@@H](O)Cn1cccn1 1154819538 KSQMPVZBPPPQNI-GFCCVEGCSA-N 311.411 -0.403 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)CCCC(=O)NC)C1=O 1156873561 AEPMEUORQMZJPF-CYBMUJFWSA-N 324.425 -0.215 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)c1cnn(C)c1CC 1161750341 DVOLZURWZCBTSQ-GFCCVEGCSA-N 319.409 -0.170 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)CCc1cn[nH]c1 1167950482 PUYOTCBUZGBEKT-LBPRGKRZSA-N 305.382 -0.424 30 20 DBED Cc1cc(O)nc(C)c1C(=O)NCCCNCC(=O)NCC#N 1176675239 GSBTXBXYXOPWKJ-UHFFFAOYSA-N 319.365 -0.247 30 20 DBED N#CCNC(=O)CNCCCCCCNC(=O)c1ncc[nH]1 1178415765 UDMIXAQROWIDKX-UHFFFAOYSA-N 306.370 -0.071 30 20 DBED CCS(=O)(=O)NCCN[C@@H]1CCN(C(=O)[C@H](C)C#N)C1 1181698929 SETSVQQDTUVWKR-GHMZBOCLSA-N 302.400 -0.724 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)CCn2ccnc2)C1 1184709659 CDYLMWFMHPGPGY-CYBMUJFWSA-N 303.366 -0.787 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)Cn3cccn3)[C@@H]2C1 1186826552 NHUXMKWOKXYYPO-UONOGXRCSA-N 315.377 -0.835 30 20 DBED C=CCOCCN[C@@H]1CCN(C(=O)Cn2c(O)nnc2O)C1 1187420450 MLSUIDPNURMQHE-SNVBAGLBSA-N 311.342 -0.918 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CN(CCn3cncn3)C[C@H]21 1187866077 YLFZDQYRPCIIQY-SOUVJXGZSA-N 317.393 -0.151 30 20 DBED Cc1[nH]nc(C(=O)N2CC[C@H](N(C)CC(=O)NCC#N)C2)c1C 1189450476 QDDNYDUIWAJZBW-LBPRGKRZSA-N 318.381 -0.187 30 20 DBED CC(C)C#CC(=O)N1CC[C@H](N(C)[C@H](C)C(=O)NC(N)=O)C1 1190067289 LMARDRDREOVIOT-NEPJUHHUSA-N 308.382 -0.238 30 20 DBED CN(C)[C@H](C(=O)N1CC[C@@H](N(C)CC(=O)NCC#N)C1)C1CC1 1190655144 NTRNRHFECTUTHW-HIFRSBDPSA-N 321.425 -0.501 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CN(Cc2ccc(C(N)=O)cc2)C[C@H]1O 1191853126 BDUKFAVNLJCHOT-ZLKJLUDKSA-N 316.361 -0.394 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@@H]1CCN(C(=O)Cc2nc[nH]n2)C1 1193372276 BHMDPZFSWUAGSY-NWDGAFQWSA-N 318.381 -0.982 30 20 DBED Cc1nc[nH]c1C(=O)N1CC[C@H](N(C)CC(=O)NCC#N)C1 1194532615 UMSZNPVJWHPKQE-NSHDSACASA-N 304.354 -0.496 30 20 DBED CC#CCCCC(=O)N[C@@H]1CN(CCNC(=O)C2CC2)C[C@H]1O 1195473599 OIDDBSITTSVGEO-HUUCEWRRSA-N 321.421 -0.133 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCCN(C(=O)C[C@@](C)(O)C=C)CC1 1195681553 FZZWPZZBHZZJRV-PBHICJAKSA-N 321.421 -0.014 30 20 DBED C#CCNC(=O)[C@H](C)N1CCCN(C(=O)[C@@]23COC[C@@H]2C3)CC1 1195900011 GSGJKPWGLMQUJV-ZQIUZPCESA-N 319.405 -0.305 30 20 DBED C#CCCN1CCCN(C(=O)[C@H](C)NS(C)(=O)=O)CC1 1197277435 HILOQFDCZMIIJD-LBPRGKRZSA-N 301.412 -0.518 30 20 DBED N#CCNC(=O)CNC[C@H]1CN(C(=O)[C@H]2CCCO2)CCCO1 1199787659 PAOVRLWLCFIHFN-QWHCGFSZSA-N 324.381 -0.988 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)c2cncnc2O)CC1 1201190527 VOOQKZYHUWHNGX-UHFFFAOYSA-N 317.349 -0.874 30 20 DBED N#CCNC[C@@H]1CN(C(=O)CC(=O)NCC2CC2)CCCO1 1201822860 FIPGZLQKZVZGNU-CYBMUJFWSA-N 308.382 -0.367 30 20 DBED CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC(NCC#N)CC1 1202302534 SRWYZPFCMWZIRQ-AWEZNQCLSA-N 318.381 -0.439 30 20 DBED CC#CCN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)CN1CCOCC1=O)C2 1204444504 QAURFLVZFUFLCT-RBSFLKMASA-N 319.405 -0.162 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)Cc2cnoc2)CC1 1206006839 SYOBMNXKCWRAQI-UHFFFAOYSA-N 318.377 -0.205 30 20 DBED CN(C)[C@H](C(=O)N1CCC[C@H](NCC(=O)NCC#N)C1)C1CC1 1208335613 WQJVLTJIURHPAO-ZFWWWQNUSA-N 321.425 -0.453 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2nccn2C)C[C@H]1OC 1212256088 UJXDFSYEFSWZDC-MGPQQGTHSA-N 320.393 -0.226 30 20 DBED C=CCN[C@@H]1CN(C(=O)C(C)(C)NS(C)(=O)=O)C[C@H]1C 1215832949 SWQQHQSHRXWMET-GHMZBOCLSA-N 303.428 -0.063 30 20 DBED CCCCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H](C)C#N 1217533471 WKAMWMHVYYKVOB-MELADBBJSA-N 322.409 -0.026 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN([C@@H]2CCN(C(C)C)C2=O)C[C@@H]1O 1219587752 UAHBVYGVRZRVIP-KFWWJZLASA-N 321.421 -0.184 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)COCc2nc(CC)no2)C1 1220731910 FOIVEMYDWXLESK-NEPJUHHUSA-N 322.365 -0.667 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)[C@@H](C)COC)CC1 1222624853 QBHVMIYAFCUYQT-ZDUSSCGKSA-N 309.410 -0.154 30 20 DBED N#CCNC(=O)CN1CCC(CNC(=O)Cc2cnc[nH]2)CC1 1224656967 PVEBBQBOFNEIGU-UHFFFAOYSA-N 318.381 -0.580 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC(NC(=O)[C@H]2CCN(C)C2)CC1 1230262634 KXSWJXJWOGDEQT-KGLIPLIRSA-N 320.437 -0.343 30 20 DBED C=CCNC(=O)NC(=O)CN(C)CCCNC(=O)c1cn[nH]c1 1234368992 QJWADVMOXXBAPF-UHFFFAOYSA-N 322.369 -0.527 30 20 DBED C#CCOCCNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCCN2C)C1 1260309249 IDNRBOAQNRUHBU-UONOGXRCSA-N 307.394 -0.305 30 20 DBED CO[C@H]1CC[C@@H](NC(=O)C(=O)N2CCN(CCC#N)CC2)C1 1261968584 JGUXLNPAYAGNSF-OLZOCXBDSA-N 308.382 -0.272 30 20 DBED COCC(=O)NC1CCN(S(=O)(=O)CCCC#N)CC1 1318389255 DVJVNRPADUFILL-UHFFFAOYSA-N 303.384 -0.153 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)CCO1 1322570381 SPCUPLSPFHGJBS-OLZOCXBDSA-N 306.366 -0.662 30 20 DBED C=CCN(CC=C)C(=O)C(=O)NCC(C)(C)NS(C)(=O)=O 1322673431 XYBUVOXNQCXRHD-UHFFFAOYSA-N 317.411 -0.369 30 20 DBED CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N(C)CCNS(C)(=O)=O 1322784915 VZDKJBHAKSPLEZ-AAEUAGOBSA-N 318.443 -0.090 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N(C)[C@@H](C)CN1CCOCC1 1323824639 XALKNYDQSWTBAX-STQMWFEESA-N 313.398 -0.517 30 20 DBED C[C@H](NC(=O)C(=O)Nc1ccc(C#N)cn1)[C@@H]1CN(C)CCO1 1324503594 WVYVLUYBLMVHQH-JQWIXIFHSA-N 317.349 -0.273 30 20 DBED Cn1nnc(Br)c1C(=O)N[C@@H]1CCCN(O)C1=O 1326799209 JJVTXTXFANEMDW-RXMQYKEDSA-N 318.131 -0.312 30 20 DBED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N(C)Cc1cn(C)nn1 1328124624 KKCCBCVWFAYSIM-WCQYABFASA-N 321.381 -0.129 30 20 DBED C=CCN(C(=O)C(=O)N1CCO[C@@H](COC)C1)[C@H](C)COC 1328279862 AHVJLTYPRCNAJF-CHWSQXEVSA-N 314.382 -0.090 30 20 DBED CC[C@H]1C(=O)N(CC)CCN1C(=O)C(=O)N1CC[C@@](F)(C#N)C1 1331199245 YYLIICGCWULKNF-XHDPSFHLSA-N 324.356 -0.080 30 20 DBED C=CCN(C(=O)C(=O)N1C[C@H](O)C[C@@H](C(=O)OC)C1)C(C)C 1332355974 MCFOSFPQVPSTQP-VXGBXAGGSA-N 312.366 -0.208 30 20 DBED C#CC1CCN(C(=O)C(=O)N2CC[C@H](n3cncn3)C2)CC1 1332375913 GZSVROQYIJCEKC-ZDUSSCGKSA-N 301.350 -0.077 30 20 DBED C[C@@H](Cc1cccnc1)NC(=O)C(=O)N1CCO[C@H](C#N)C1 1333889648 REXPAIWRVQNDKK-WCQYABFASA-N 302.334 -0.120 30 20 DBED N#Cc1ccc([C@H](O)CNCCN2CCS(=O)(=O)CC2)cc1 1336762562 DNFYNJYZAUPHLN-OAHLLOKOSA-N 323.418 -0.088 30 20 DBED CO[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)C1(C)C 1345879664 KQSCWFWLMXYYSF-HFAKWTLXSA-N 309.366 -0.207 30 20 DBED COCCC1(C)CN(C(=O)Cn2cc(C#N)c(O)nc2=O)C1 1362662939 CJZNTYQZFDUQHA-UHFFFAOYSA-N 306.322 -0.294 30 20 DBED CC(=O)Nc1ccc(CNc2[nH]c(=O)n(C)c(=O)c2C#N)cn1 1363728810 HGLZGBCTAPPUCG-UHFFFAOYSA-N 314.305 -0.089 30 20 DBED C[C@@H](C#N)C(=O)NCCN1CCN(Cc2nncn2C)CC1 1365955249 FTKSTHPIGQUDGX-LBPRGKRZSA-N 305.386 -0.791 30 20 DBED C[C@@H](CNC(=O)Cn1cnnn1)NCc1cc(C#N)ccc1F 1371103055 JWPIQUNIXRVVIB-JTQLQIEISA-N 317.328 -0.022 30 20 DBED CC(=O)N(C)CC(=O)N[C@H](C)CNC(=O)c1ccc(C#N)[nH]1 1372854057 QXNDOHBORHCTKN-SECBINFHSA-N 305.338 -0.401 30 20 DBED COC(=O)NCC(=O)N[C@](C)(CNC(=O)[C@@H](C)C#N)C1CC1 1375341003 HEYFQZKDVLOJTK-LKFCYVNXSA-N 310.354 -0.097 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNCc1ccc2nonc2c1 1379182831 GJJRNDIPXKEQKC-ONGXEEELSA-N 303.322 -0.051 30 20 DBED C[C@H](C#N)C(=O)NC1CCN(C(=O)c2c[nH]c(=O)cn2)CC1 1385457992 ZQESCCDHQBLOEP-SECBINFHSA-N 303.322 -0.350 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1c2c(nn1C)CCC2 1389123243 LPNWEKJKZMURMJ-VHSXEESVSA-N 319.365 -0.725 30 20 DBED C[C@H](CNC(=O)c1cnn(C)n1)CNC(=O)c1cc(C#N)c[nH]1 1409675932 FEULZQPDNQOAOF-VIFPVBQESA-N 315.337 -0.189 30 20 DBED C[C@@H](CNC(=O)[C@H](C)C#N)NC(=O)COCc1nncn1C 1415256620 JJUZEMFHKVQJAC-ZJUUUORDSA-N 308.342 -0.888 30 20 DBED C[C@@H](CNC(=O)c1cc(=O)n(C)cn1)CNC(=O)[C@H](C)C#N 1416469353 CLQLPQPSSLADKD-NXEZZACHSA-N 305.338 -0.578 30 20 DBED CN(CCN(C)C1CC1)C(=O)Cn1cc(C#N)c(O)nc1=O 1417716809 AKLKZGKBRSZYFF-UHFFFAOYSA-N 305.338 -0.627 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)c2ccc3nnnn3c2)C1 1430165559 KQKSQSRZJGTZPS-FBIMIBRVSA-N 313.321 -0.339 30 20 DBED COCCN(CCNC(=O)[C@H](C)C#N)C(=O)c1cnnc(O)c1 1444968146 YGCIPSCLSSPNRL-SNVBAGLBSA-N 321.337 -0.453 30 20 DBED CCN(CCNC(=O)[C@H](C)C#N)C(=O)COCc1nncn1C 1455660774 XKBKRVMUNJISLQ-LLVKDONJSA-N 322.369 -0.544 30 20 DBED Cc1c(C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H](C)C#N)C2)nnn1C 1489808472 IWCSGBGFGXYFPL-INTQDDNPSA-N 304.354 -0.092 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)CCN2CCCC2=O)C1 1494052194 CYOQVPCPJXXEFC-SRVKXCTJSA-N 306.366 -0.078 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1cccnc1N(C)C 1501526088 NWAAKMDDFSAYDF-WDEREUQCSA-N 319.365 -0.486 30 20 DBED C[C@@H](C#N)C(=O)N(C)C1CCN(C(=O)[C@@H]2CN(C)CCO2)CC1 1510152461 AXICJZUIKFUJJQ-JSGCOSHPSA-N 322.409 -0.074 30 20 DBED C#CCNC(=O)CN1CC[C@@H](CNC(=O)[C@H](CC)N(C)C)C1 1567415935 RATAENSFACXQGW-KBPBESRZSA-N 308.426 -0.486 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@H](N=c2cc[nH]cc2-c2nn[nH]n2)C1 1573585942 JXEXOIVWXJHIKU-OPRDCNLKSA-N 312.337 -0.098 30 20 DBED N#Cc1nc(N)n(Cc2cc(O)nc(C3CC3)n2)c1-c1nn[nH]n1 1581878365 ICZCCKCWDRQVPC-UHFFFAOYSA-N 324.308 -0.062 30 20 DBED O=S1(=O)CCC(NN=Cc2ccc(-c3nn[nH]n3)o2)CC1 1593462946 BFNZFKZVKZGYKU-UHFFFAOYSA-N 310.339 -0.040 30 20 DBED COC(=O)c1cn(CCNC(=O)[C@@](C)(C#N)CC(=O)O)nn1 1593890974 QSQKMLUTULKVFQ-GFCCVEGCSA-N 309.282 -0.815 30 20 DBED Cn1cc(C[C@@H](CO)CNC(=O)[C@](C)(C#N)CC(=O)O)cn1 1594541570 CINFEJHPJCBQGE-RISCZKNCSA-N 308.338 -0.308 30 20 DBED N#Cc1cn(CC(=O)O)c(=O)n(C[C@H]2CC[C@@H](C3CC3)O2)c1=O 1594632837 DSFBVHLGRJTOBN-NEPJUHHUSA-N 319.317 -0.076 30 20 DBED C=CCOC[C@@H](NS(=O)(=O)c1ccc(C)nn1)C(=O)O 1602915683 RMBDRGSSOSIBRI-SECBINFHSA-N 301.324 -0.281 30 20 DBED N#Cc1ncccc1S(=O)(=O)NCc1nnc2n1CCOC2 1647172204 YWNSPBYSBNTMFF-UHFFFAOYSA-N 320.334 -0.447 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC(NC(=O)[C@@H]2CCCCN2C)C1 1713827253 SIVKOZBLDXNCAP-OCCSQVGLSA-N 306.410 -0.591 30 20 DBED CN1CC[C@@H](CC(=O)N[C@H]2CCCN(CC(=O)NCC#N)C2)C1 1752330153 ZFSYYCWAWWYIHS-KBPBESRZSA-N 321.425 -0.451 30 20 DBED C#CCO[C@H](C)C(=O)NCCN1CCN([C@@H](C)COC)CC1 1752366317 WNMLFYMDOITZDN-LSDHHAIUSA-N 311.426 -0.207 30 20 DBED C=CCNC(=O)CN[C@H]1C[C@H](NC(=O)c2c[nH]c(C)cc2=O)C1 1752675269 XBUWIDGRGVVSDH-HAQNSBGRSA-N 318.377 -0.164 30 20 DBED C=CCCNC[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 1752808285 YFJFUNGGQNPRIR-RYUDHWBXSA-N 308.382 -0.011 30 20 DBED C#CCNC(=O)CN1CCC[C@H]([C@@H](C)NC(=O)CNC(C)=O)C1 1752833343 FBHDYMWMNPCENR-OCCSQVGLSA-N 322.409 -0.911 30 20 DBED C#CCNC(=O)CN1CCC[C@H]1CNC(=O)CN(C)CCC 1753115648 HDZFCTHLQQOZDT-AWEZNQCLSA-N 308.426 -0.342 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@H](N(CCC)C(=O)CC(N)=O)C1 1753315309 XGGOCVNHDMWTJR-STQMWFEESA-N 322.409 -0.687 30 20 DBED C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)NS(=O)(=O)CC 1753420521 AQEQYRLTPUXOBO-AGIUHOORSA-N 313.423 -0.377 30 20 DBED CC[C@@H](CNC(=O)[C@@H]1CCCC(=O)N1C)NCC(=O)NCC#N 1753493750 QAOODCUJNKUCGL-RYUDHWBXSA-N 323.397 -0.879 30 20 DBED CN(CCN(C)C(=O)c1cc(C#N)c[nH]1)CC(=O)NCC#N 1753850320 UJDFLILKBUHSCI-UHFFFAOYSA-N 302.338 -0.470 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)N(CC)CCN[C@H]1CCNC1=O 1754070741 NKPHLHXURBUWHH-KBPBESRZSA-N 324.425 -0.216 30 20 DBED C#CCNC(=O)[C@H](C)NC/C=C/CNC(=O)c1ccnnc1 1754174864 CVAJWOGUNYXVCY-ITKZLYELSA-N 301.350 -0.510 30 20 DBED C#CCNC(=O)[C@@H](C)NC/C=C/CNC(=O)c1ccc(O)nc1 1754201627 IBRPWYUEGYQHIW-ZYOFXKKJSA-N 316.361 -0.199 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CNC(=O)c1ccnc(C)n1 1754503397 XIKWTOSAPJAWPM-GFCCVEGCSA-N 301.350 -0.661 30 20 DBED CNC(=O)NC(=O)CN[C@H]1CCN(C(=O)C#CC2CC2)[C@@H](C)C1 1754591933 AZLVKBBUPQZZQN-AAEUAGOBSA-N 320.393 -0.176 30 20 DBED C#CCN(C(=O)COCC)C1CCN(Cc2nc(O)n[nH]2)CC1 1754633982 GMCDCGRKAKDEQN-UHFFFAOYSA-N 321.381 -0.027 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@]1(O)CCN(CCO)C1 1754760059 QLLOGVANEWBXIU-DZGCQCFKSA-N 313.398 -0.997 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(Cc2csnn2)C1 1754767182 LHULQDXVCSGVDW-JTQLQIEISA-N 310.379 -0.761 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCN(C2CN(CCOC)C2)CC1 1755145699 XWDBKHCVSQVNTB-AWEZNQCLSA-N 309.410 -0.501 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](CNC(=O)c3nonc3C)[C@H]2C1 1755436476 UVFZKJRJYHEXJK-CNDDSTCGSA-N 317.349 -0.965 30 20 DBED C[C@H]1[C@H](NCC(=O)NCC#N)CCN1C(=O)c1ccc(O)nc1 1755662473 DZDKFKQMVUIBFW-CMPLNLGQSA-N 317.349 -0.380 30 20 DBED C#CCOCCC(=O)N1CC([C@H](C)NC(=O)c2cnnn2C)C1 1756140200 HLVUSTUMDZILBT-NSHDSACASA-N 319.365 -0.568 30 20 DBED C=C1CC(C)(C(=O)NC[C@@H](CO)NC(=O)C[C@@H]2CCNC2=O)C1 1756548208 JVVUJUPOFCROJF-RYUDHWBXSA-N 323.393 -0.538 30 20 DBED C#CCOCCC(=O)N1CC[C@@H]1CN(C)C(=O)c1nc[nH]n1 1757300522 VHTKOFCBYYSWDT-LLVKDONJSA-N 305.338 -0.483 30 20 DBED C=CCC(=O)N1CCO[C@]2(CCN(C(=O)Cn3nccn3)C2)C1 1781426491 HNFAVFOXBGLYLX-HNNXBMFYSA-N 319.365 -0.316 30 20 DBED C[C@@H](O)C(=O)N1CC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1783517007 VGVABGUTANSNTB-ABAIWWIYSA-N 307.350 -0.499 30 20 DBED C=CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)NC(C)=O 1800535422 OSOPGPKMOBACRB-IKVITTDRSA-N 323.393 -0.323 30 20 DBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@@H]3F)C2)C1 1839806171 DXAFZHYHWVPXPJ-XUJVJEKNSA-N 310.325 -0.566 30 20 DBED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)Cc2cnc[nH]2)C1 1843345644 RBDOSCTZAMRBFZ-UHFFFAOYSA-N 316.317 -0.756 30 20 DBED CNC(=O)CN1CCC(NC(=O)c2ccc(C#N)cn2)CC1 107448040 BWBAWXKQUDLNLS-UHFFFAOYSA-N 301.350 -0.107 30 20 DBED CCN(CC#N)CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 121003893 QPKLAMDYXQTBNA-UHFFFAOYSA-N 323.441 -0.109 30 20 DBED CC(C)NC(=O)C(=O)N1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 175141972 KNJVVOOAAWIJKK-UHFFFAOYSA-N 317.349 -0.305 30 20 DBED CN1CCO[C@H](C/N=C(/N)N2CCN(c3ncccn3)CC2)C1 262020096 XLDXVNLECRCXAV-CYBMUJFWSA-N 319.413 -0.756 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCCN(CC)CC2)C1=O 264817161 WSEUYYOLRKTVTR-UHFFFAOYSA-N 322.365 -0.483 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(CCN(C)C)C(C)C)C1=O 269624054 RPMMIPFAMLVCNE-UHFFFAOYSA-N 324.381 -0.238 30 20 DBED Cc1ccn(C[C@@](C)(O)C(=O)N2CCO[C@H](C#N)C2)c(=O)c1 280769050 YXDMZEYYYRLVOI-IUODEOHRSA-N 305.334 -0.341 30 20 DBED C#CCOc1cccc(NC(=O)C(=O)N2CCOC[C@H](O)C2)c1 296297146 IJHRYVNTZNKNER-CYBMUJFWSA-N 318.329 -0.143 30 20 DBED C[C@H](C(=O)N/C(O)=N/C(C)(C)C)N1CCN(C(=O)CO)CC1 330490026 LRSVKZNTMAASLP-SNVBAGLBSA-N 314.386 -0.660 30 20 DBED CN(C[C@H](O)CO)C(O)=Nc1ccc2c(c1)S(=O)(=O)CC2 330973548 IKHDYQXALNBDGM-NSHDSACASA-N 314.363 -0.153 30 20 DBED Cc1cc(CN2CCN(C(=O)Cn3cnc(C#N)n3)CC2)on1 331833370 KROWIKDKTBYFHV-UHFFFAOYSA-N 315.337 -0.209 30 20 DBED CN(C)C(=O)[C@@H]1CCCN1S(=O)(=O)N1CCO[C@H](C#N)C1 336903763 CXYSDPAAFLPAJW-MNOVXSKESA-N 316.383 -0.992 30 20 DBED CCc1nc([C@@H](C)NS(=O)(=O)N2CCO[C@@H](C#N)C2)n[nH]1 336933975 DMHZRESRSKOLQW-BDAKNGLRSA-N 314.371 -0.513 30 20 DBED CCN(CCC#N)S(=O)(=O)NC[C@H]1CC[C@@H](C(N)=O)O1 336947652 PPLWKSIBXGDEFB-ZJUUUORDSA-N 304.372 -0.911 30 20 DBED COCCn1ccc(=NC(=O)CN=c2ccc(C#N)c[nH]2)[nH]1 345449285 KHCDYYJJRSWBCM-UHFFFAOYSA-N 300.322 -0.309 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCC2(CO)CCCC2)C1=O 354212336 QAOWCFGEGFOATE-UHFFFAOYSA-N 323.349 -0.368 30 20 DBED COCCN1CCN(S(=O)(=O)CC2(C#N)CC2)CC1=O 361809395 NLYSLQPLTFAKRH-UHFFFAOYSA-N 301.368 -0.589 30 20 DBED C#CCNC(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 373119956 CWJLEIZAHKQJIW-GFCCVEGCSA-N 315.395 -0.544 30 20 DBED CS(=O)(=O)NC[C@H]1CCCCN1C(=O)[C@H](N)CCCC#N 424087525 ICHSZRPJTDGFOI-VXGBXAGGSA-N 316.427 -0.062 30 20 DBED CCOC(=O)CCN(C)C(=O)C(=O)Nc1ccn(CCC#N)n1 438748140 ACJQBRMLZIQARS-UHFFFAOYSA-N 321.337 0.147 30 20 DBED C[C@@H](CNC(=O)C(=O)NCc1cccc(C#N)c1)S(C)(=O)=O 556039573 XIYFBVRKXTXKCE-JTQLQIEISA-N 323.374 -0.276 30 20 DBED CC(C)(CN)NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 571403757 NUNYECXYKHIUNR-UHFFFAOYSA-N 310.379 -0.310 30 20 DBED C=C[C@@H](C(=O)OC)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 589261817 NSVIAACDLMLSSM-JTQLQIEISA-N 314.367 -0.556 30 20 DBED CN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CC=CCC1 594637934 ZZWLFKYROTYVLA-UHFFFAOYSA-N 321.424 -0.247 30 20 DBED Cn1ncc(C#N)c1N1CCN(C(=O)CN2CCOCC2)CC1 596067480 YEXKSXNLRNTKBZ-UHFFFAOYSA-N 318.381 -0.727 30 20 DBED CN(C(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C1(CO)CC1 597641108 FSNJLRIMLCUXMA-UHFFFAOYSA-N 323.374 -0.180 30 20 DBED CC(C)[C@H]1CNCCN1C(=O)C(=O)NC1CCN(CC#N)CC1 599959429 GWCQPXWETXQRBC-CQSZACIVSA-N 321.425 -0.453 30 20 DBED COc1cc(NC(=O)C(=O)NC[C@H](O)CO)c(F)cc1C#N 599971966 QULPZEVLXRBSNZ-QMMMGPOBSA-N 311.269 -0.886 30 20 DBED Cn1c(C(=O)N(CCC#N)CCN2CCOCC2)cnc1O 601024120 SKKFTLGEDRPLFG-UHFFFAOYSA-N 307.354 -0.186 30 20 DBED C=CCCOCC(=O)N1CCCC[C@H]1CNS(N)(=O)=O 615946319 YHJJVVHVLUNJAR-NSHDSACASA-N 305.400 -0.247 30 20 DBED C#CC[C@H](CO)NC(=O)c1ccc(S(=O)(=O)N(C)C)o1 717770204 OZQVRKMTMZZETP-SECBINFHSA-N 300.336 -0.356 30 20 DBED C#CCNC(=O)COC(=O)[C@@H](C)N1C(=O)NC2(CCCC2)C1=O 726654312 MYPGARKQBGKOBX-SNVBAGLBSA-N 321.333 -0.468 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@@H]1CCc2n[nH]cc2C1)[C@H]1CCCO1 788484126 IGEFUNXGYBHDCS-MBNYWOFBSA-N 316.361 -0.320 30 20 DBED C=CCS(=O)(=O)CCNS(=O)(=O)N(CC)CCC#N 800107051 LOWNGVRABCSCRC-UHFFFAOYSA-N 309.413 -0.343 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)CCC[C@@]1(C)NC(=O)NC1=O 801428807 ILEIYTUVARVGKN-LKFCYVNXSA-N 309.322 -0.564 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@H](C)[C@H]1CN(C)CCO1)[C@H]1CCCO1 809311425 HTBJSSQKPDHFEG-XJFOESAGSA-N 323.393 -0.881 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2nn(CC)nc2C)CC1 815377989 NPNAEPAHKXCDKN-UHFFFAOYSA-N 318.381 -0.886 30 20 DBED C=CCOCC(=O)NS(=O)(=O)c1cnn([C@@H]2CCOC2)c1 816465008 ROJHXAHDDDJWNB-SNVBAGLBSA-N 315.351 -0.148 30 20 DBED C#CCNC(=O)COC(=O)[C@H](O)c1ccc(-c2nn[nH]n2)cc1 823850035 ILOMYEXPURELBH-GFCCVEGCSA-N 315.289 -0.807 30 20 DBED C[C@](O)(CC(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[nH]1)C1CC1 824669980 JQVRFWFDVOLUHE-LBPRGKRZSA-N 302.298 -0.049 30 20 DBED CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CNC[C@@H]2C#N)cc1 834516742 LOAWIGJGQGMGAP-WCQYABFASA-N 322.390 -0.174 30 20 DBED C#C[C@H](NC(=O)N1CC[C@@H](N2CCNCC2)C1)[C@H]1CCCO1 841881310 PZDSCMGHEKQGNV-QLFBSQMISA-N 306.410 -0.144 30 20 DBED C#CC[C@H](CO)NC(=O)[C@@H]1CC(=O)N(C[C@H]2CCCN2CC)C1 854545696 OFTAVAMKPNGTAU-RBSFLKMASA-N 321.421 -0.180 30 20 DBED O=CN1CCCN(CC#CCN2CCCN(C=O)CC2)CC1 859312749 YURUGIBSIPKYGQ-UHFFFAOYSA-N 306.410 -0.682 30 20 DBED C#CCn1ccc(CN(CC)C(=O)CN2CCNC(=O)C2)n1 907840312 USQQDYUYJUJHDY-UHFFFAOYSA-N 303.366 -0.703 30 20 DBED C#CCNS(=O)(=O)N1CCN([C@H](C)c2ncccn2)CC1 930119039 NTRJZKHVSGFUAZ-GFCCVEGCSA-N 309.395 -0.377 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)c3nc[nH]n3)C2)cn1 938372446 HMXHXSIQASLUFF-LBPRGKRZSA-N 310.317 -0.175 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1 938860375 CRXOXTYTQSUBKD-LOWDOPEQSA-N 321.377 -0.427 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)[C@H](C)C1 944135120 IQEXESZYUULIRY-GHMZBOCLSA-N 314.349 -0.509 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)[C@H](C)C1 945184221 VRSYBDLJSAWTLW-VXGBXAGGSA-N 318.381 -0.773 30 20 DBED O=C(NC1CCN(C(=O)C#CC2CC2)CC1)[C@H]1COCCO1 946690698 SKZKVFDLBHBNPJ-CQSZACIVSA-N 306.362 -0.078 30 20 DBED C#CCCN1CCC2(CC1)CN(C(=O)Cn1cncn1)CCO2 949241763 QBCRAJYXIKXKSI-UHFFFAOYSA-N 317.393 -0.005 30 20 DBED C#CCN1CCOC2(CCN(C(=O)[C@@H]3CC(=O)N(C)C3)CC2)C1 949378902 CYTFIKIZSYOLAL-CQSZACIVSA-N 319.405 -0.209 30 20 DBED CN1CCO[C@@H](C(=O)N[C@@H]2CCCN(C(=O)C#CC3CC3)C2)C1 950758384 HZEZBCIRJUXFCX-HUUCEWRRSA-N 319.405 -0.162 30 20 DBED CN(C(=O)c1cc(C#N)c[nH]1)C1CN(C(=O)c2cnn(C)n2)C1 953989936 HRXBIQYKEBTTMJ-UHFFFAOYSA-N 313.321 -0.389 30 20 DBED CN(C(=O)[C@@]1(C)CCNC(=O)C1)C1CN(C(=O)C#CC2CC2)C1 954647197 IWUAKTBDXGCBSY-KRWDZBQOSA-N 317.389 -0.015 30 20 DBED C[C@@H](C#N)C(=O)N1CC(N(C)C(=O)C[C@H]2CCCC(=O)N2)C1 954885658 JWFGUVYYGGRORZ-WDEREUQCSA-N 306.366 -0.126 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H]1CNC(=O)C1CS(=O)(=O)C1 956190783 RZTYFUSDUQMMQQ-KOLCDFICSA-N 313.379 -0.702 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cn(C3CCC3)nn2)C1 958072804 GECMWQNELSYUGY-SMDDNHRTSA-N 303.366 -0.341 30 20 DBED COc1nc(C)ncc1C(=O)NC[C@@H]1CN(CC#N)C[C@H]1O 958122508 WRCGTMICVJCTDP-ZYHUDNBSSA-N 305.338 -0.660 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2CN(CCOC)C[C@H]2O)nn1 958472542 VMBVZVMEVHOSIQ-WCQYABFASA-N 309.370 -0.867 30 20 DBED Cn1ncc(CN2C[C@H]3C(NC(=O)c4cc(C#N)c[nH]4)[C@@H]3C2)n1 958500919 VFARSHDSEJGONL-VXGBXAGGSA-N 311.349 -0.125 30 20 DBED C=CCCn1cc(C(=O)NC2[C@@H]3CN([C@@H](C)C(N)=O)C[C@@H]23)nn1 961997331 ACAPMFYGHGCLEX-HBNTYKKESA-N 318.381 -0.612 30 20 DBED C=C(C)CN1C[C@H]2[C@H](NC(=O)[C@H]3CCN(C)S3(=O)=O)[C@H]2C1 962004903 ACIYRSDYKSYWTD-XQHKEYJVSA-N 313.423 -0.357 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CN(C(=O)c3cnco3)C[C@@H]2O)c1 962160317 KGPUMUXQSLUCGE-MNOVXSKESA-N 315.289 -0.510 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)C(N)=O)CC1 965198970 VBWFMOWTELRMKY-TUAOUCFPSA-N 309.366 -0.440 30 20 DBED C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C1 968680510 AHMMQWCUJBUNBK-NEPJUHHUSA-N 320.397 -0.220 30 20 DBED C=CCN(C)[C@@H]1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)C1 971641903 PXCSKIYQVCIKDT-GFCCVEGCSA-N 306.366 -0.734 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)CN3CCOCC3)C2)C1 972341458 DTBZPHPNAKMROC-MRXNPFEDSA-N 307.394 -0.745 30 20 DBED N#Cc1cc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3CCNC3=O)C2)c[nH]1 974053849 PVLRVCIFIDYYAZ-UMNHJUIQSA-N 315.333 -0.601 30 20 DBED C=CCn1cc(C(=O)NCC2[C@@H]3CN([C@@H](C)C(N)=O)C[C@@H]23)nn1 978822143 WIGLCDVDPNTTOG-DLOVCJGASA-N 318.381 -0.755 30 20 DBED C#CCN1C[C@@H]2C(CNC(=O)[C@@H]3COCCN3C(C)=O)[C@H]2C1 979086820 GAFLKPOIUZTQBW-KFWWJZLASA-N 305.378 -0.839 30 20 DBED C[C@H]1[C@H](NCC#N)CCN1C(=O)Cn1nc2ccccn2c1=O 986626665 YIXADGNZXIMIJM-NWDGAFQWSA-N 314.349 -0.401 30 20 DBED C=C(C)CN[C@H]1C[C@@H](C)N(C(=O)c2cn(CC(N)=O)nn2)C1 989831961 NXVXWKJAYKGCKR-MNOVXSKESA-N 306.370 -0.468 30 20 DBED C#CCN1CC[C@@]2(NC(=O)c3cnc(O)n(C)c3=O)CCC[C@H]12 992100619 RROHIOGODQBQEK-LRDDRELGSA-N 316.361 -0.154 30 20 DBED C#CCCN1CC[C@]2(NC(=O)Cn3c(O)nnc3O)CCC[C@H]12 992451318 XQBUWDBAEUOAOP-XHDPSFHLSA-N 319.365 -0.174 30 20 DBED C[C@H](C#N)C(=O)N1CC(NC(=O)c2noc3c2COCC3)C1 992547395 LVKFECUHVPZFPX-MRVPVSSYSA-N 304.306 -0.152 30 20 DBED C#CCCN1CCC[C@@H](NC(=O)CN2CCN(C)C(=O)C2)[C@H]1C 993527061 YCWNJMBBXOXDMR-HUUCEWRRSA-N 320.437 -0.247 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)c2cc(C(N)=O)cs2)C1 993901463 QWOLQPXRXSUTAK-ZETCQYMHSA-N 306.347 -0.053 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)c2cncn2C)C1 995023957 VUEXTDPBKFFEPE-YPMHNXCESA-N 304.350 -0.048 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)[C@@H](C)n2cncn2)C1 1000004957 KQODXLCROGZFCO-RTXFEEFZSA-N 319.365 -0.243 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)c2cnn(C)n2)C1 1000008495 CPUZCBGCEZPIHO-PWSUYJOCSA-N 305.338 -0.653 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)[C@@H]2CCCS(=O)(=O)C2)C1 1000278125 SJJGAENHASPCIU-VHSXEESVSA-N 313.379 -0.702 30 20 DBED N#CCN1CCC(CNC(=O)[C@@H]2CCc3nnc(O)n3C2)CC1 1001554552 SQVWTQXXIVTNFG-GFCCVEGCSA-N 318.381 -0.102 30 20 DBED C[C@@H](NC(=O)[C@H]1COC(=O)N1)C1CN(C(=O)C#CC2CC2)C1 1006018928 IOJRCVJQIWKOBF-BXKDBHETSA-N 305.334 -0.529 30 20 DBED N#Cc1cc(C(=O)NCC2[C@@H]3CN(C(=O)CC(N)=O)C[C@@H]23)c[nH]1 1008961399 FYDIKXCHANOWOC-RYUDHWBXSA-N 315.333 -0.804 30 20 DBED CN1CC[C@H](C(=O)N2CCN(C(=O)C#CC3CC3)CC2)CC1=O 1011107616 JGAKRGANQVRYJA-AWEZNQCLSA-N 317.389 -0.061 30 20 DBED C[C@@H]1[C@H](NC(=O)CN2CCOCC2)CCN1C(=O)C#CC1CC1 1011739615 RPQNGUODIZONCX-UKRRQHHQSA-N 319.405 -0.162 30 20 DBED Cc1nnc(CC(=O)NC2[C@@H]3CN(C(=O)[C@H](C)C#N)C[C@@H]23)o1 1013045021 NAOGONMYZSJPHC-SZEHBUNVSA-N 303.322 -0.347 30 20 DBED C[C@H]1[C@H](NC(=O)C(N)=O)CCCN1C(=O)c1ccc(C#N)[nH]1 1015177341 HVWWISUVODCXNG-WCBMZHEXSA-N 303.322 -0.519 30 20 DBED C#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCN(C)S1(=O)=O 1018053462 XYDUICQIUJRREF-XQQFMLRXSA-N 311.407 -0.671 30 20 DBED C=CCN1CC[C@H](N[C@H]2C[C@@H](NC(=O)[C@H]3COC(=O)N3)C2)C1=O 1022035999 DIZVNSYHWKGHJX-WHOHXGKFSA-N 322.365 -0.882 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2ccnc2)C1 1024419034 BVHNUHZHLHTWHF-VXGBXAGGSA-N 306.366 -0.217 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1[C@@H]2CN([C@H]3CCNC3=O)C[C@@H]21 1026056841 FSELUTOSOMUCRY-BSOLPCOYSA-N 305.378 -0.488 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)[C@@H]1CCNC(=O)C1 1026322618 CJBDHDUSSPCZNW-MRVWCRGKSA-N 317.389 -0.111 30 20 DBED N#Cc1cc(C(=O)NC[C@@H]2CCN([C@H]3CCNC3=O)C2)c[nH]1 1028489107 SFLIIWZDFJXSQX-GWCFXTLKSA-N 301.350 -0.173 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)C3CCN(C)CC3)C2)C1=O 1030891456 CTDLYDMIJSZETF-OAHLLOKOSA-N 320.437 -0.085 30 20 DBED C#CCN1CCC(C(=O)NC2CN([C@@H](C)C(=O)N(C)C)C2)CC1 1031434918 JXDAFLOVJCIOSS-ZDUSSCGKSA-N 320.437 -0.391 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCN([C@@H](CC)C(N)=O)C1 1032837186 ZJMDJJXYMPERLA-RDBSUJKOSA-N 306.410 -0.462 30 20 DBED C#CCCN1CCO[C@H](CNC(=O)[C@H]2CN(CC)CCO2)C1 1035611257 RKKYMGKACIXJRS-HUUCEWRRSA-N 309.410 -0.453 30 20 DBED C=CCN[C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)C[C@@H]1CC 1037939629 HMLIWOBTSMXPCD-NWDGAFQWSA-N 308.382 -0.059 30 20 DBED C#CCCCC(=O)NC[C@@]1(O)CCN(C(=O)c2cnn[nH]2)C1 1039580513 VUUZRSMHKGCFQE-AWEZNQCLSA-N 305.338 -0.699 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)c2ccn(C)n2)C1 1039760805 UESOTRDRIHATGX-QMTHXVAHSA-N 305.338 -0.727 30 20 DBED C=CCCCC(=O)N1CC[C@@](O)(CNC(=O)C2(C(N)=O)CC2)C1 1040740445 GWKIDDOIWPJNJH-OAHLLOKOSA-N 323.393 -0.312 30 20 DBED C=CCCC(=O)N1CC[C@@](O)(CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 1040930028 WFTWHJSIXXMUDN-JRPNMDOOSA-N 309.366 -0.846 30 20 DBED N#Cc1cncc(N2C[C@@H](O)[C@H](NC(=O)C[C@H]3CCCO3)C2)n1 1040933699 HSNWUYNSOCXCSK-JHJVBQTASA-N 317.349 -0.417 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)nn1 1040957515 YIGZRAVYCMIWKV-CHWSQXEVSA-N 323.316 -0.472 30 20 DBED C#CCCN1CC[C@@]2(CCN(C(=O)CN3CC(=O)NC3=O)C2)C1 1041742641 CSWWDSDNAYNDGD-MRXNPFEDSA-N 318.377 -0.514 30 20 DBED C[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1NC(=O)c1cn(C)nn1 1041857711 NKWARUDRBUHYGY-MWLCHTKSSA-N 312.337 -0.269 30 20 DBED C=CCOCCCC(=O)NCC1(O)CN(C(=O)c2nc[nH]n2)C1 1042312965 RIVRTVYIGHYPFV-UHFFFAOYSA-N 323.353 -0.909 30 20 DBED N#CCSCC(=O)N1CC(O)(CNC(=O)C2[C@H]3CCC[C@H]23)C1 1042386223 CLTLDLUPAUZRKS-QWRGUYRKSA-N 323.418 -0.021 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)C2CCC(O)CC2)C1 1042830297 RGNNPFRKEJAING-VOMCLLRMSA-N 309.366 -0.613 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)c2cnnn2C)C1 1042857172 RQDJCIWDHZTVLA-UHFFFAOYSA-N 307.354 -0.670 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)c2cncc(F)c2)C1 1045541430 WMAAWHRRMAMBAJ-VIFPVBQESA-N 306.297 -0.317 30 20 DBED C#CCN1CC[C@@H](N2CCN(C(=O)[C@H]3COCCN3C)CC2)C1 1046021601 ALLAHUCWGKIMKJ-HZPDHXFCSA-N 320.437 -0.831 30 20 DBED C=CCN1CC[C@@H](N2CCN(C(=O)[C@H]3CN(C)C(=O)N3)CC2)C1 1046052165 UFTWBPWDUXCFIM-ZIAGYGMSSA-N 321.425 -0.586 30 20 DBED C[C@@]1(NC(=O)c2ccc(C#N)[nH]2)CCN([C@@H]2CCNC2=O)C1 1046249685 ZZLQOUOQYYTBFF-IUODEOHRSA-N 301.350 -0.031 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)[C@]2(C)CCNC2=O)C1 1046644571 SWLRKRZHZDSEQX-OAHLLOKOSA-N 323.393 -0.586 30 20 DBED C[C@H]1CN(C)C[C@@H]1C(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1046684935 NFVZXASXMKUEJO-JSGCOSHPSA-N 319.405 -0.713 30 20 DBED C#CCOCCC(=O)N1C[C@H]2C[C@@H](NC(=O)CC(N)=O)C[C@H]1C2 1047426756 WRSLGFDDWJIWDL-YNEHKIRRSA-N 321.377 -0.603 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1CNCc1nnn(C)n1 1048253718 RDSXIBCSCGQZEG-DGCLKSJQSA-N 302.382 -0.192 30 20 DBED C#CCOCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C#CC(C)C)C1 1048814195 XUERTGKGEITKKT-GJZGRUSLSA-N 320.389 -0.284 30 20 DBED C=CCCOCC(=O)N(C)[C@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1O 1049007714 OCIILQUKYAFIQX-QWRGUYRKSA-N 323.353 -0.959 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)c2nccs2)C[C@@H]1O 1049395503 VJYCRJOHIZEQRC-UTLUCORTSA-N 308.363 -0.054 30 20 DBED N#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[C@@H](C(N)=O)O1 1049725260 WFBNQLPMYLCKTI-ZDEQEGDKSA-N 306.366 -0.392 30 20 DBED N#CCN1C[C@@H]2CCCN(C(=O)C[C@H]3CC(=O)NC3=O)[C@@H]2C1 1050221501 ZXVFCZJEKYNKBH-QJPTWQEYSA-N 304.350 -0.514 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2COCCN2CC(N)=O)cc1 1051059738 CRZXGYVEZBSQIF-AWEZNQCLSA-N 301.346 -0.416 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)c1c(C)nn(C)c1OC 1051145724 LDNVQIRBILCZFD-GFCCVEGCSA-N 306.366 -0.199 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)[C@@H]1CCCN1C(=O)C1CC1 1051156073 OAIUKFCUXIJOGL-GJZGRUSLSA-N 319.405 -0.162 30 20 DBED C#CCN1CCN([C@H]2CCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C2)CC1 1052065197 LHBGCYLOXCNHAB-CAOSSQGBSA-N 303.406 -0.270 30 20 DBED C[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1CNC(=O)C#CC1CC1 1053170907 GWYQWNQUAOQSCZ-ZYHUDNBSSA-N 316.365 -0.552 30 20 DBED C[C@H](C#N)C(=O)N1CCOC2(CN(Cc3ccn(C)n3)C2)C1 1053190789 FMASRTSVDQEQTP-GFCCVEGCSA-N 303.366 -0.007 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)C[C@H]3COC(=O)C3)CO2)C1 1053777613 NOISXPBPPUMZHG-OLZOCXBDSA-N 306.362 -0.078 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1COC2(C1)CN(CCO)C2 1053832146 BRENFAFAQYHPNZ-KGLIPLIRSA-N 307.394 -0.964 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)c3cccc4ncnn34)CO2)C1 1053859402 IKAYUGSKYCZKLU-GFCCVEGCSA-N 311.345 -0.064 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)[C@@H]3CCN(C(=O)CC)C3)CO2)C1 1053976273 DKQXAHUKYOIWRK-ZIAGYGMSSA-N 319.405 -0.162 30 20 DBED N#Cc1cncc(N2CCN(C(=O)Cn3ccccc3=O)CC2)n1 1055813781 MQTSJVVCYJDFTP-UHFFFAOYSA-N 324.344 -0.141 30 20 DBED Cc1cc(C#N)nc(N2CCN(C(=O)Cc3nc[nH]n3)CC2)n1 1055899971 VVCPXADFHDSIRQ-UHFFFAOYSA-N 312.337 -0.334 30 20 DBED CCN(C)CCC(=O)N1CCC[C@@](CO)(NC(=O)[C@H](C)C#N)C1 1056096889 LPALTGLGQXPRDZ-CZUORRHYSA-N 324.425 -0.042 30 20 DBED N#Cc1nccnc1N1C[C@H]2[C@H](NC(=O)Cn3cncn3)[C@H]2C1 1056219182 YLDQRPKDNCUYBZ-IWIIMEHWSA-N 310.321 -0.809 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)C(N)=O 1056379651 KYLHBWKQCYVASG-ZETOZRRWSA-N 309.366 -0.609 30 20 DBED CN(c1nccnc1C#N)[C@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 1056910419 TZISPRMISYMJJN-ONGXEEELSA-N 316.321 -0.506 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)CC[C@H]1CCOC1 1057313530 XJNSNQNBNRALRU-OLZOCXBDSA-N 311.382 -0.100 30 20 DBED C=C[C@](C)(O)CC(=O)N(CCO)CCNC(=O)[C@@H](F)CC 1057451443 LIXSUMZLSHBFGH-FZMZJTMJSA-N 304.362 -0.001 30 20 DBED Cn1cc(C(=O)NCCN(CCO)C(=O)C#CC2CC2)nc1O 1057535754 VZXKUWCFZPWIRR-UHFFFAOYSA-N 320.349 -0.910 30 20 DBED C#CCO[C@H](C)C(=O)N(CCO)CCNC(=O)c1cccn1C 1057583000 DSXNCPQCHKIONB-CYBMUJFWSA-N 321.377 -0.386 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)C[C@@H]1CCNC1=O 1057828251 OLAXBFUMQLQSKV-ZDUSSCGKSA-N 323.393 -0.747 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)[C@H]1CCCC(=O)N1 1057893049 JIVCUKOLHRUSMZ-CYBMUJFWSA-N 323.393 -0.604 30 20 DBED C=CCCOCC(=O)N(CCO)CCNC(=O)c1cn[nH]c1 1057919170 PHIRVHXFHZKLHW-UHFFFAOYSA-N 310.354 -0.447 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)Cc1ccn(C)n1 1058652790 FLCIDPFSXZQBAU-NSHDSACASA-N 307.354 -0.941 30 20 DBED CN1C[C@H](C(=O)N[C@H]2C[C@@H](Nc3nccnc3C#N)C2)NC1=O 1059781514 BCBXRVXQEWACSK-WCABBAIRSA-N 315.337 -0.569 30 20 DBED N#Cc1nc(=N[C@H]2C[C@@H](NC(=O)[C@H]3CC[C@@H]3C(N)=O)C2)cc[nH]1 1059784167 GUJRXGHKZWIYMX-VLEAKVRGSA-N 314.349 -0.659 30 20 DBED CC(=O)NCC(=O)NC[C@@H]1COCCN1C(=O)C#CC(C)C 1061217130 PECHYCRVVYLLRO-CYBMUJFWSA-N 309.366 -0.875 30 20 DBED C=CCC(CC=C)C(=O)NC[C@H]1COCCN1C(=O)CC(N)=O 1061611112 DSRZKRGMGFMTJI-ZDUSSCGKSA-N 323.393 -0.026 30 20 DBED Cn1nnc(C(=O)NC[C@H]2CCN(c3ccc(C#N)cn3)C2)n1 1061705884 LMUOXXAIHNNPIJ-LLVKDONJSA-N 312.337 -0.267 30 20 DBED C=CCCCC(=O)NC[C@H]1COCCN1C(=O)[C@H]1CNC(=O)N1 1061831847 ZIADXGVBRYFKRK-NWDGAFQWSA-N 324.381 -0.632 30 20 DBED C=CCCCC(=O)NC[C@@H]1COCCN1C(=O)[C@H]1CNC(=O)N1 1061831849 ZIADXGVBRYFKRK-VXGBXAGGSA-N 324.381 -0.632 30 20 DBED CCN(C)CCC(=O)N1CCOC[C@H]1CNC(=O)[C@@H](C)C#N 1061848955 XKIUKHOQLYLLNL-QWHCGFSZSA-N 310.398 -0.169 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H]1CCCCN1C(=O)CC(=O)NC 1062154992 OSBXYYPBMACLGP-QWHCGFSZSA-N 323.393 -0.342 30 20 DBED C=CCOCC(=O)NC1(CNC(=O)c2cc(=O)n(C)o2)CCC1 1062856009 AGDKUTLCQNKPIU-UHFFFAOYSA-N 323.349 -0.050 30 20 DBED CN(C(=O)[C@H]1CNC(=O)N1)[C@@H]1CCN(c2cnc(C#N)cn2)C1 1063024419 BXIHSOXKZJRTLV-GHMZBOCLSA-N 315.337 -0.933 30 20 DBED C[C@@H]1CCCN(C(=O)C(N)=O)[C@@H]1CNc1ccc(C#N)nn1 1063956444 JHZDWSAVTMKNOA-MWLCHTKSSA-N 302.338 -0.127 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)[C@H]2CCCNC2=O)CCC1 1064304755 HYRMGASDQOOAFO-QWRGUYRKSA-N 306.366 -0.173 30 20 DBED C=CCCC(=O)N1CCO[C@H](CNC(=O)CCn2cnnn2)C1 1064957841 QYHUZHLLRZAMLD-GFCCVEGCSA-N 322.369 -0.627 30 20 DBED N#Cc1cncc(N2[C@H]3CC[C@H]2CN(C(=O)C(N)=O)CC3)n1 1065163431 USTSAVBRKHQSIT-QWRGUYRKSA-N 300.322 -0.597 30 20 DBED C=C(C)CCC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CCNC2=O)CCO1 1065423405 ZITIOOLFXSKQCW-CHWSQXEVSA-N 323.393 -0.178 30 20 DBED C#CCOCCC(=O)NC[C@H]1CN(C(=O)[C@@H](C)C#N)CCO1 1065557318 PJRJSSVRABJFKP-STQMWFEESA-N 307.350 -0.470 30 20 DBED Cc1cc(C#N)nc(N2CCC[C@H](NC(=O)C(N)=O)CC2)n1 1066782312 BKQVJCXDGXCEPS-JTQLQIEISA-N 302.338 -0.383 30 20 DBED CN(C(=O)C(N)=O)[C@H]1CCCN(c2ccc(C#N)nn2)CC1 1067607633 FLJAAJXTNSUDKO-NSHDSACASA-N 302.338 -0.349 30 20 DBED Cn1cnc(C(=O)N2C[C@H]3CC[C@H]2CN3c2ccc(C#N)nn2)n1 1068041861 JAVPGJPFVCOVJN-NEPJUHHUSA-N 324.348 -0.030 30 20 DBED CC(C)C#CC(=O)N1CC2(C1)CN(C(=O)c1cnn[nH]1)CCO2 1068411277 MDKHHLHFBGPABP-UHFFFAOYSA-N 317.349 -0.483 30 20 DBED C=C(C)CCC(=O)NC[C@@H]1CCC2(CN(C(=O)C(N)=O)C2)O1 1068581520 DPPHWAWEPYFMQR-NSHDSACASA-N 309.366 -0.296 30 20 DBED C=C1CC(C)(C(=O)NC[C@@H]2CCC3(CN(C(=O)C(N)=O)C3)O2)C1 1068627358 AHIQMLQULPSEPL-NSHDSACASA-N 321.377 -0.296 30 20 DBED C=CCCC(=O)N1CC2(C[C@@H](NC(=O)[C@@H]3CCNC3=O)CO2)C1 1068944185 AGAONRAHMMCGRU-VXGBXAGGSA-N 321.377 -0.425 30 20 DBED C=CCOCC(=O)N1CCC[C@@H](NC(=O)CC(=O)NCC)C1 1070554110 GTEMIWCJPKWDPT-GFCCVEGCSA-N 311.382 -0.178 30 20 DBED Cn1cc(C(=O)N2C[C@@H](NCC#N)[C@H](c3cncn3C)C2)cn1 1070618658 QRZBTSVABBCDKS-CHWSQXEVSA-N 313.365 -0.125 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC[C@@H](NC(=O)C2(C(N)=O)CC2)C1 1070730443 HAHZQLVBBKYHQE-VXGBXAGGSA-N 321.377 -0.603 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CN(C(=O)C2CCC2)C[C@@H]1C 1071437215 RNPHRGWQBZMFMY-AAEUAGOBSA-N 305.378 -0.111 30 20 DBED C=CCOCCCC(=O)N[C@H]1CN(C(=O)CC(N)=O)C[C@@H]1C 1071839989 SFXYQLRNLOUMQX-RYUDHWBXSA-N 311.382 -0.192 30 20 DBED C#CCCN1C[C@@H](NC(=O)Cn2c(O)nnc2O)CC[C@H]1C 1072026300 GPDBZOQPLIWULN-MNOVXSKESA-N 307.354 -0.318 30 20 DBED C#CCN1C[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)CC[C@@H]1C 1072054581 GKNZVXCHNKXVEB-RYUDHWBXSA-N 306.366 -0.517 30 20 DBED C=CCCOCC(=O)N1C[C@@H](NC(=O)c2cnn[nH]2)[C@H](C)C1 1072338864 IHJWFVCLGNWRDW-ZYHUDNBSSA-N 307.354 -0.026 30 20 DBED C#Cc1ccc(C(=O)N2C[C@H](C)[C@H](NC(=O)CC(N)=O)C2)cn1 1072468353 SXGZMGOAXXXZBQ-GXFFZTMASA-N 314.345 -0.485 30 20 DBED C#CCN1CCC2(C1)CN(C(=O)C1CCN(C(N)=O)CC1)C2 1073416338 BRYBOHCGOONHOI-UHFFFAOYSA-N 304.394 -0.055 30 20 DBED CC(=O)N(C)CC(=O)N1CCC(O)(CNC(=O)[C@@H](C)C#N)CC1 1074487002 NCJYECHGJSLBST-NSHDSACASA-N 324.381 -0.906 30 20 DBED C=C[C@](C)(CC)C(=O)NCC1(O)CCN(C(=O)C(N)=O)CC1 1074700878 JOIYVVNLZVUVPB-CQSZACIVSA-N 311.382 -0.456 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(O)(CNC(=O)Cc2ncc[nH]2)CC1 1074705060 LRJMZZHIPQVKES-NSHDSACASA-N 319.365 -0.418 30 20 DBED C=CCOCCCC(=O)NCC[C@H](C)NC(=O)c1nnn(C)n1 1076034344 KQPPKRKERYYEJK-NSHDSACASA-N 324.385 -0.183 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H]3CN(CC(N)=O)C[C@H]32)nn1 1076336132 LNTYNGVPDSRQRU-CMPLNLGQSA-N 304.354 -0.904 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2ccccc2C(=O)N(C)C)C1 1078022087 SIUTTYKLGVZXOV-HUUCEWRRSA-N 315.373 -0.204 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)c2cc(C(N)=O)cs2)C1 1078236279 CKQVZFGVOTYMLO-GHMZBOCLSA-N 307.375 -0.355 30 20 DBED C=CCOCC(=O)N[C@@H](C)CCNC(=O)CCc1cnn(C)n1 1078495696 DFDGQDLDQZQTAG-LBPRGKRZSA-N 323.397 -0.039 30 20 DBED C=CCOCC(=O)N1CC(N(CC)C(=O)c2nnn(C)c2C)C1 1079540240 OBTXPJRDLBBCGW-UHFFFAOYSA-N 321.381 -0.001 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1coc(S(N)(=O)=O)c1 1079985009 UKTCCOLIUICAFH-PSASIEDQSA-N 312.351 -0.499 30 20 DBED CCCN(C)CC(=O)N1CCC(CO)(NC(=O)[C@@H](C)C#N)CC1 1080982377 ZGTOWRATMRLESP-ZDUSSCGKSA-N 324.425 -0.042 30 20 DBED C=CCCC(=O)N1C[C@H](CNC(=O)c2cc(=O)n(C)o2)[C@@H](O)C1 1081430337 DZLDTWAXDBJHLF-QWRGUYRKSA-N 323.349 -0.506 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(C(=O)c2cnon2)C[C@H]1O 1081470955 HTSALXXIQGYXQF-CMPLNLGQSA-N 304.306 -0.968 30 20 DBED CCCN(C)CC(=O)NC[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 1081634776 MHLXTDQOIIJMDN-GJZGRUSLSA-N 321.421 -0.323 30 20 DBED CC#CCN1C[C@@H](NC(=O)c2ccc(OC)nn2)[C@H](OC)C1 1082303401 DAOCETZIJXVQDH-CHWSQXEVSA-N 304.350 -0.063 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1ccnc(OC)n1 1083139866 YYQMFLZHNQILLW-QWHCGFSZSA-N 302.334 -0.356 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2nc[nH]c2C(F)(F)F)C1 1083525515 WBSZOALKJQUWEU-RQJHMYQMSA-N 303.244 -0.273 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)c3cn(CCOC)nn3)[C@@H]2C1 1084336135 IJLVBFPPVDYASA-TZMCWYRMSA-N 303.366 -0.296 30 20 DBED CNC(=O)NCC(=O)N[C@H](C)C[C@@H](C)Nc1ccc(C#N)nn1 1089498839 JYHLZLMCGHTWMK-NXEZZACHSA-N 319.369 -0.028 30 20 DBED CCN(c1nccnc1C#N)[C@H](C)CNC(=O)c1nnn(C)n1 1089724342 UHYCKESKXKTASW-SECBINFHSA-N 315.341 -0.483 30 20 DBED C#CCCN1CC[C@H](NC(=O)Cc2cn(CC)nn2)[C@H](O)C1 1090443543 YGCPQKSERCHEAN-UONOGXRCSA-N 305.382 -0.585 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cnc3c(c2)ncn3C)[C@H](O)C1 1090474632 DVAYIBKGXISUGP-GXTWGEPZSA-N 313.361 -0.234 30 20 DBED C#CCN1CCC(C(=O)N[C@@H]2CCN(CCF)C[C@@H]2O)CC1 1090831910 XHGSZNYPTSOVHK-CABCVRRESA-N 311.401 -0.148 30 20 DBED C=C(C)CNC1CC(CNC(=O)[C@H]2CCS(=O)(=O)N2)C1 1091369897 ILNSWTRUQJLRAK-HTAVTVPLSA-N 301.412 -0.261 30 20 DBED N#CCSCC(=O)N[C@H]1CCN(c2ncccn2)C[C@H]1O 1092137183 KINNOOBBFBKTOG-WDEREUQCSA-N 307.379 -0.211 30 20 DBED N#Cc1c(Cl)nsc1NCCNC(=O)CNC(N)=O 1093501506 YLYCHAKIDVMUEX-UHFFFAOYSA-N 302.747 -0.135 30 20 DBED Cc1nc(NCCNC(=O)CN2C(=O)CNC2=O)ccc1C#N 1093622085 HNSNRLGBSAHFGE-UHFFFAOYSA-N 316.321 -0.658 30 20 DBED CCN1CCO[C@@H](C(=O)NCCNc2cncc(C#N)n2)C1 1093654868 ROOLDIWOQQUDPE-GFCCVEGCSA-N 304.354 -0.403 30 20 DBED Cc1cc(C#N)nc(NCCNC(=O)[C@H]2CCCC(=O)N2)n1 1093960114 ZHFNMZADNXVELP-LLVKDONJSA-N 302.338 -0.147 30 20 DBED C=CCn1cc(C(=O)NCCNc2nccn3nnnc23)nn1 1094164334 PQDRPOPXNCHSHM-UHFFFAOYSA-N 314.313 -0.861 30 20 DBED C#CCN1CCN(C(=O)C#CC2CC2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094632642 OJYFJGBZHBVKGP-UONOGXRCSA-N 306.387 -0.657 30 20 DBED Cc1conc1C(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1 1094802533 VQGAIUCTDYTNBK-JTQLQIEISA-N 303.322 -0.479 30 20 DBED C=CCCN1CC(N2C[C@H](NC(=O)Cn3ccnc3)CC2=O)C1 1094822991 PVWBZYFZWJOITQ-CYBMUJFWSA-N 317.393 -0.140 30 20 DBED CC(=O)N(C)CC(=O)N[C@H]1CCCN(c2ccnc(C#N)n2)C1 1096169379 XRCBDTAJZNOZSV-LBPRGKRZSA-N 316.365 -0.088 30 20 DBED CNC(=O)NCC(=O)N[C@@H]1CCCN(c2nccnc2C#N)C1 1096239585 KCCKHXNVLFLINW-SNVBAGLBSA-N 317.353 -0.638 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCN(c2ncccc2C#N)C1 1096361172 WYHBKFZBKRQBAQ-CYBMUJFWSA-N 311.345 -0.212 30 20 DBED N#Cc1cnc(N2CC[C@@H](NC(=O)C(=O)NCC(F)F)C2)cn1 1096446438 MIRTWPQWZLXEBB-MRVPVSSYSA-N 324.291 -0.576 30 20 DBED CC(=O)NCC(=O)NC[C@@H](Nc1ccc(C#N)nn1)C1CC1 1096559017 DWKWKJLVFWDANS-GFCCVEGCSA-N 302.338 -0.209 30 20 DBED C[C@H](CNC(=O)COCCN(C)C)Nc1ccc(C#N)nn1 1097954061 PPNJVWFNWURIPI-LLVKDONJSA-N 306.370 -0.157 30 20 DBED C[C@@H]1C[C@H](C(=O)N2CCC(N(CC#N)CCO)CC2)CC(=O)N1 1098414908 KWHXMLWNFFNUBB-OLZOCXBDSA-N 322.409 -0.290 30 20 DBED C[C@H](NC(N)=O)C(=O)N1CC[C@@H](CNc2nccnc2C#N)C1 1098521801 MOBLGQVIJDLPLN-UWVGGRQHSA-N 317.353 -0.335 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)/C=C(\C)C2CC2)[C@@H](O)C1 1099709785 NLCZGNXYNYTWEX-IKYJFFNYSA-N 319.405 -0.357 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(CCn2cncn2)C[C@H]1O 1099737924 GGYXPZCSIZRDHB-QWHCGFSZSA-N 309.370 -0.968 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCN(Cc2csnn2)C[C@H]1O 1099832320 FXWRPOHLYNFLEZ-CHWSQXEVSA-N 324.406 -0.371 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)C(=O)NCC(F)(F)F)[C@@H](O)C1 1100053021 IOJIHRAOWYUYAA-UWVGGRQHSA-N 323.315 -0.208 30 20 DBED C=C(Cl)CN1CC[C@H](NC(=O)C(=O)NCC2CC2)[C@H](O)C1 1100056269 RGHRYEQBUYNENM-NWDGAFQWSA-N 315.801 -0.184 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)c2cc(C#N)c[nH]2)C1 1100221773 UJEUMGMEOYBNDL-UHFFFAOYSA-N 313.361 -0.266 30 20 DBED CN(CCNC(=O)[C@]1(C)CCC(=O)NC1)c1cnc(C#N)cn1 1100286336 STVWIMIUQFXTRG-OAHLLOKOSA-N 316.365 -0.183 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)[C@H](C2CC2)N(C)C)C1 1100407651 DGTYSDVQPRDNDI-PXCJXSSVSA-N 320.437 -0.440 30 20 DBED N#Cc1cncc(N2CC[C@H](CNC(=O)CCCC(N)=O)C2)n1 1100988881 YVTZTMMFPLDPTA-LLVKDONJSA-N 316.365 -0.054 30 20 DBED COC[C@@H](OC)C(=O)NC[C@H]1CCN(c2ccnc(C#N)n2)C1 1101050574 LRIUUXZTISJFEB-VXGBXAGGSA-N 319.365 -0.048 30 20 DBED CNC(=O)NCCC(=O)N(C)CCNc1cncc(C#N)n1 1101579205 UQWBCRVSDPOHCS-UHFFFAOYSA-N 305.342 -0.462 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1CNC(=O)c1cc[nH]n1 1101742708 CRXLIROKMLJIPK-GHMZBOCLSA-N 304.354 -0.653 30 20 DBED C#CCNC(=O)[C@H](C)NCC[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1C 1104022403 QOADCDFEJPXDGU-FRRDWIJNSA-N 322.409 -0.926 30 20 DBED COCCCOCC(=O)NC[C@@H](C)CN=c1cc[nH]c(C#N)n1 1104074570 BVHDCCLKUAIHRU-LBPRGKRZSA-N 321.381 -0.013 30 20 DBED C[C@H](CNC(=O)[C@H]1CN(C)C(=O)N1)CNc1ccc(C#N)nn1 1104177082 LTECMFNJMIRNBP-GXSJLCMTSA-N 317.353 -0.464 30 20 DBED C[C@@H](CNc1ccc(C#N)cn1)N(C)C(=O)[C@@H]1CNC(=O)N1 1104785167 ODHJACZGAMXQTE-ONGXEEELSA-N 302.338 -0.107 30 20 DBED CC(C)[C@H](CNC(=O)[C@@H](C)CC(N)=O)N=c1cc[nH]c(C#N)n1 1105263505 XQGCZKFOFSUETP-QWRGUYRKSA-N 318.381 -0.166 30 20 DBED CN(CCN(C)c1cnc(C#N)cn1)C(=O)[C@@H]1COCCN1C 1105373380 UKOBWVVFZXRNDT-ZDUSSCGKSA-N 318.381 -0.427 30 20 DBED N#Cc1cncc(NC[C@H](O)CNC(=O)Cc2cnoc2)n1 1106069989 HDLHWQJFGCPAMH-NSHDSACASA-N 302.294 -0.532 30 20 DBED C[C@@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)[C@H]1CCC(=O)N1C 1106544684 GUHYWIJQSQAEHJ-WDEREUQCSA-N 316.365 -0.302 30 20 DBED COCCCOCC(=O)N[C@H](C)CN=c1cc[nH]c(C#N)n1 1107914646 CTFBZRDYGKNJNH-LLVKDONJSA-N 307.354 -0.260 30 20 DBED C[C@@H]1CCN(C(=O)C(=O)N[C@H](C)CN=c2cc[nH]c(C#N)n2)C1 1107918787 ASVMTHORWWXGPH-GHMZBOCLSA-N 316.365 -0.445 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)c2ccc(=O)n(C)n2)C1 1108382975 SLNGTMOXZQPCMQ-OAHLLOKOSA-N 304.350 -0.766 30 20 DBED CCO[C@H](C(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1)C(C)C 1108544612 GXRJMJCZPZLWSG-WFASDCNBSA-N 322.409 -0.028 30 20 DBED C#CCCN1CC(N2C[C@H](NC(=O)[C@H](C)OCC#C)CC2=O)C1 1108545769 FQMNYPHMWOSMBN-UONOGXRCSA-N 317.389 -0.551 30 20 DBED C[C@H](CN(C)c1ccc(C#N)nn1)NC(=O)[C@@H]1CN(C)C(=O)N1 1109194762 VQHKPQCTHYWBBR-KOLCDFICSA-N 317.353 -0.687 30 20 DBED N#Cc1ccc(NC2(CNC(=O)[C@H]3CCC(=O)NC3)CC2)nn1 1110402270 DJIWVNUGLAYXAI-JTQLQIEISA-N 314.349 -0.065 30 20 DBED CC(C)[C@@H](O)C(=O)NC[C@]1(O)CCN(c2ccc(C#N)nn2)C1 1111076102 UAKNEZRCJGOVQU-UKRRQHHQSA-N 319.365 -0.577 30 20 DBED N#Cc1cccnc1NCCN(CCO)C(=O)c1cnn[nH]1 1111585795 NKIJXYHBNWGUPH-UHFFFAOYSA-N 301.310 -0.382 30 20 DBED COC[C@@H](C)C(=O)N1CCO[C@H](CN=c2cc[nH]c(C#N)n2)C1 1111946942 OTADGNKYWSVUPJ-VXGBXAGGSA-N 319.365 -0.308 30 20 DBED CNC(=O)CC(=O)N[C@H]1CCN(c2nccnc2C#N)[C@H](C)C1 1112469429 LCARHJOHKRHMSG-MNOVXSKESA-N 316.365 -0.042 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)[C@H](CC)OCC)[C@@H]2C1 1113976574 IQCNGQDFOZYFAK-UPJWGTAASA-N 307.394 -0.403 30 20 DBED COC[C@H](O)CN1C[C@@H]2C(NC(=O)c3cc(C#N)c[nH]3)[C@H]2C1 1114103721 ONECHMDVNITDBP-WOPDTQHZSA-N 304.350 -0.446 30 20 DBED CCNC(=O)NC(=O)CN1C[C@@H]2C(NC(=O)C#CC(C)C)[C@H]2C1 1114236810 BBRXKWHZMJVGNF-RYUDHWBXSA-N 320.393 -0.462 30 20 DBED C#CCOCCC(=O)NC1[C@@H]2CN(CC(=O)NC3CC3)C[C@@H]12 1114265490 FUQXNAFWODPTDI-CHWSQXEVSA-N 305.378 -0.649 30 20 DBED C#CCO[C@H](C)C(=O)NC1[C@@H]2CN(CC(=O)NC3CC3)C[C@@H]12 1114271274 RVMQXSPMUWNUOI-RAIGVLPGSA-N 305.378 -0.650 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@@H](CCC)OC)[C@H]2C1 1114665605 LAZSLSAIBRYQKG-COMQUAJESA-N 307.394 -0.403 30 20 DBED C=C(C)CN1C[C@H]2[C@H](NC(=O)CN(C)S(=O)(=O)CC)[C@H]2C1 1115049366 KKMLOOUEJZQKHA-IMRBUKKESA-N 315.439 -0.110 30 20 DBED COCCCNC(=O)CCC(=O)NC1[C@@H]2CN(CC#N)C[C@@H]12 1115102995 BWQNJVMBMJLSLH-VXGBXAGGSA-N 308.382 -0.511 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)C3(C(=O)N(C)C)CC3)[C@@H]2C1 1115105791 LYFDHTNLAAADQF-CHWSQXEVSA-N 319.405 -0.449 30 20 DBED COCC#CCN1C[C@@H]2C(NC(=O)COCCN(C)C)[C@H]2C1 1115126266 LHNKPRZBOGRCDD-KBPBESRZSA-N 309.410 -0.739 30 20 DBED C#CCNC(=O)CNC1(CNC(=O)CC(N)=O)CCCCC1 1115458796 XTMOQCLDJZXQCB-UHFFFAOYSA-N 308.382 -0.980 30 20 DBED C[C@@H](OC(=O)CC[C@H]1NC(=O)NC1=O)C(=O)N(C)CCC#N 1115818696 QLFLGJQXWYIJFC-RKDXNWHRSA-N 310.310 -0.722 30 20 DBED C#Cc1ccc(C(=O)OCC(=O)N[C@H]2CCS(=O)(=O)C2)cn1 1115983989 GVJZVPNIBOLNKZ-LBPRGKRZSA-N 322.342 -0.477 30 20 DBED N#CCNC(=O)CN1C(=O)NC2(CCC3(CC2)OCCO3)C1=O 1116319082 JUYUKGVUQSCZSO-UHFFFAOYSA-N 322.321 -0.766 30 20 DBED C#CCNC(=S)N(CCN(C)C)[C@@H]1CCS(=O)(=O)C1 1116388327 HCGOLEQEJRFQJO-LLVKDONJSA-N 303.453 -0.455 30 20 DBED N#CC1(NC(=O)COC(=O)[C@H]2CCCN(C(N)=O)C2)CCC1 1117286933 WNNYEESJCIWAAS-JTQLQIEISA-N 308.338 -0.117 30 20 DBED N#CCC1(CNC(=O)C(=O)NCc2nnnn2C2CC2)CC1 1117471973 WCXFQJHRAAUGSH-UHFFFAOYSA-N 303.326 -0.566 30 20 DBED C=C[C@@H](COC)NC(=O)N(CCN(C)C)CC(=O)N(C)C 1118601636 ICKVZXAHGPDWNZ-LBPRGKRZSA-N 300.403 -0.151 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)C2=COCCO2)nn1 1121003249 GUEFOTHZSOSNST-SNVBAGLBSA-N 305.294 -0.875 30 20 DBED Cc1noc(C)c1C(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1 1121030432 IJSDLJZHVVIVHN-JTQLQIEISA-N 316.321 -0.422 30 20 DBED N#Cc1cccnc1N[C@H](CO)CNC(=O)CN1CCCC1 1121580564 JVEQLWDORBFYLB-ZDUSSCGKSA-N 303.366 -0.062 30 20 DBED COC[C@@H](C)CC(=O)NC[C@@H](CO)Nc1ccc(C#N)nn1 1121984995 NUQRDTMNVCRPGJ-JQWIXIFHSA-N 307.354 -0.090 30 20 DBED Cc1nsc(N[C@H](CO)CNC(=O)c2cnn[nH]2)c1C#N 1122879630 AVXRYXHPTHQCRS-ZETCQYMHSA-N 307.339 -0.356 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)c1cnns1 1124090233 FHZLEAHJTPPYNL-MRVPVSSYSA-N 319.350 -0.833 30 20 DBED CN(C[C@H](O)CNc1ccc(C#N)nc1)C(=O)c1ncn(C)n1 1124295465 CKUXZDDVSJIXRR-GFCCVEGCSA-N 315.337 -0.373 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]cc1C#N)C(=O)c1nc[nH]n1 1124460886 URZRGMTZXREOHK-SNVBAGLBSA-N 301.310 -0.962 30 20 DBED C[C@H](C#N)C(=O)NCCNCc1cn(C[C@H]2CCOC2)nn1 1124903515 QXZYSGQBTCNFSZ-VXGBXAGGSA-N 306.370 -0.320 30 20 DBED N#Cc1cnccc1N1CC=C(CNC(=O)Cn2ncnn2)CC1 1127700397 XQYYBHYXWOMPFS-UHFFFAOYSA-N 324.348 -0.107 30 20 DBED C=CCOCC(=O)NCc1cnn2c1CN(C[C@@H](C)O)CC2 1128259404 BUBTZTOBQTWUTL-GFCCVEGCSA-N 308.382 -0.102 30 20 DBED C=C[C@](C)(O)CC(=O)N1C[C@@H](NCCO)[C@H](c2cn(C)cn2)C1 1130571483 FYMMYNRFJYBZDU-BJJXKVORSA-N 322.409 -0.377 30 20 DBED C[C@H](CC(N)=O)C(=O)N1C[C@H]2C[C@@H]3CN(CC#N)C[C@]2(C1)O3 1131251855 DUYRJTBWZVOWDM-RTWAVKEYSA-N 306.366 -0.677 30 20 DBED C=C(C)CN1CCNC(=O)CCN(C(=O)[C@@H](C)CC(N)=O)CC1 1131371952 TUXQQURLKLENGH-ZDUSSCGKSA-N 324.425 -0.276 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1cnc2n1CCCC2 1132801730 DTJFNBJINQJRGX-LBPRGKRZSA-N 317.393 -0.323 30 20 DBED C=CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)CCn1cncn1 1133758800 NYNYTQOCDDAHMP-CHWSQXEVSA-N 322.413 -0.157 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)NCCNCc1cn(C)nn1 1134816261 AOGRNACZAGRMDP-CYBMUJFWSA-N 308.386 -0.508 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCN(CCNS(C)(=O)=O)C2)C1 1147225792 WJSRAULQJGQDBF-LLVKDONJSA-N 314.411 -0.770 30 20 DBED C#CCNC(=O)CN1CCCO[C@@H](CNC(=O)c2ccon2)C1 1149263794 OAMQADWNXQACFP-LBPRGKRZSA-N 320.349 -0.755 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)COCc2ccnn2C)C1 1149881436 NUEFIMQSBNINEU-OAHLLOKOSA-N 320.393 -0.223 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@H](C)C1CCOCC1 1153875654 FHEQBJODIMKCFU-OLZOCXBDSA-N 309.410 -0.107 30 20 DBED C=CCNC(=O)CNCCCNC(=O)COc1cc(C)on1 1160359281 HUXDZRYJCNKAMC-UHFFFAOYSA-N 310.354 -0.240 30 20 DBED C#CCNC(=O)CNCCCNC(=O)Cc1ccn(C(C)C)n1 1162917813 SXFLWGLXRHFXPQ-UHFFFAOYSA-N 319.409 -0.148 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NCCCNCc1ncnn1C 1167685437 SEBNZXIYJPLDCR-ZDUSSCGKSA-N 322.413 -0.118 30 20 DBED C#CCNCCCC[C@H](C)NC(=O)CN1CCC(=O)NC1=O 1176050154 PUOBRYHFLIFTLH-LBPRGKRZSA-N 308.382 -0.174 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](NCc2ccn(C)n2)[C@@H]1C 1178508736 RFMMAPYUSLFFSP-JSGCOSHPSA-N 317.393 -0.361 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@H](NCC(=O)NC(=O)NC)[C@@H]1C 1178678282 FMEQQHOJCZLDEW-SRVKXCTJSA-N 324.381 -0.941 30 20 DBED C[C@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)Cc1ncc[nH]1 1179787546 LFRDAMVFYYJELU-QWRGUYRKSA-N 304.354 -0.829 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC[C@@H](NCCNS(C)(=O)=O)C1 1182204732 UIZMVRLSDCKWHZ-YPMHNXCESA-N 319.427 -0.947 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)[C@@H](C)N2C(=O)CCC2=O)C1 1183033424 ZDPLYZLYPUIHEV-CHWSQXEVSA-N 321.377 -0.636 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)c2ccc(=O)n(C)c2)C1 1183912568 MOKSNYGWZMREHQ-CQSZACIVSA-N 303.362 -0.161 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)C(C)(C)N2CCCC2)C1 1184799803 FUHCUDPVZSWEQH-CQSZACIVSA-N 320.437 -0.199 30 20 DBED C#CCNC[C@@H]1CCN(C(=O)c2cn(C)c(=O)nc2O)C[C@H]1C 1185682597 RMHRXYAAZPOTPC-NEPJUHHUSA-N 318.377 -0.193 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CN(Cc3cn(C)nn3)C[C@H]21 1187881889 GRIRANAHSKLGMT-KCQAQPDRSA-N 317.393 -0.114 30 20 DBED C=CCCCN(C)[C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 1190247809 SUBSJEUSUSDYOB-GFCCVEGCSA-N 320.397 -0.124 30 20 DBED C#CCCN(C)[C@@H]1CCN(C(=O)CS(=O)(=O)CCOC)C1 1190972688 FRQAPUMMJVTCPV-CYBMUJFWSA-N 316.423 -0.396 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2cncn2C)C1 1191169016 BQCTXSMERHYWFT-GFCCVEGCSA-N 305.382 -0.131 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2cn(C)c(O)n2)C1 1192153881 XQRMASXWSLPNNR-NSHDSACASA-N 319.365 -0.979 30 20 DBED CCCn1nnnc1CN1C[C@@H](O)[C@H](NC(=O)C#CC(C)C)C1 1192760999 BUECTMQZUHWUCG-CHWSQXEVSA-N 320.397 -0.596 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)CCCN2C(=O)CCC2=O)C1 1193519805 CYUVPBBJEMIFIN-CHWSQXEVSA-N 323.393 -0.347 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCCN(C(=O)c2cocn2)CC1 1195246226 TXDVUXXFXGJBOE-GFCCVEGCSA-N 304.350 -0.040 30 20 DBED COCC#CCN1CCCN(C(=O)CN2CCCNC2=O)CC1 1196409504 UDPVNADNDDRUKS-UHFFFAOYSA-N 322.409 -0.414 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)c2cnn(CCCOC)c2)C1 1197644148 JCYGFUUBVQTTBG-ZIAGYGMSSA-N 308.382 -0.120 30 20 DBED CCCCCCC(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1O 1198329236 VGEQFRWVQWVUPR-CHWSQXEVSA-N 310.398 -0.242 30 20 DBED C#CCNC(=O)CNC[C@H]1CN(C(=O)c2ccoc2)CCCO1 1199846589 LMRCVXWOFJDLIE-AWEZNQCLSA-N 319.361 -0.150 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)c2ccnn2CC)CC1 1200218647 LWGJILDDTLYINZ-UHFFFAOYSA-N 317.393 -0.153 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)C[C@H]2CCN(C)C2)CC1 1203337280 GGDKDVUZMVEFSO-CQSZACIVSA-N 320.437 -0.342 30 20 DBED C=CCNC(=O)[C@@H](C)NCC1CCN(C(=O)CC(=O)NC)CC1 1205068501 OJQJXLYEWHJXDU-GFCCVEGCSA-N 324.425 -0.359 30 20 DBED COCCN1C[C@@H](C(=O)N2CCC(CNCC#N)CC2)CC1=O 1205414140 YJYVNUBRDVZFJT-AWEZNQCLSA-N 322.409 -0.167 30 20 DBED C#CCNCC1CCN(C(=O)CCN2C(=O)CCC2=O)CC1 1205643422 CWGIEVXBRDMBDP-UHFFFAOYSA-N 305.378 -0.013 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)[C@@H]2CCCN2C)[C@H](C)C1 1206585854 GCSWGAASCSYSNK-MCIONIFRSA-N 306.410 -0.734 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)C[C@H]1CCOC1 1206699638 ZVOKPJHPZKPKLY-JHJVBQTASA-N 308.382 -0.511 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)CNC(=O)CC)C1 1207684002 JGYUTEPKGFVCGW-GFCCVEGCSA-N 310.398 -0.605 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)C[C@@H]2COC(=O)C2)C1 1207813276 JFUOWMOMUXCSLD-STQMWFEESA-N 323.393 -0.178 30 20 DBED COCC#CCN[C@H]1CCCN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 1208410703 CNPJQECCYNDLRG-OWCLPIDISA-N 323.437 -0.064 30 20 DBED COCC#CCN1C[C@@H](NC(=O)CCc2ncc[nH]2)[C@H](OC)C1 1212200988 JZDYNRCCAQVIPV-ZIAGYGMSSA-N 320.393 -0.193 30 20 DBED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)C1CC(C)(C)C1 1212203479 OYXMDRICQRUNBX-CHWSQXEVSA-N 322.409 -0.122 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN([C@@H]2CCN(C)C2=O)C[C@H]1OC 1212257743 HWHJJGYNWKETOL-MGPQQGTHSA-N 323.393 -0.928 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2ccc(C)n2C)C1 1219188029 SPJILAKRPNCBFC-OCCSQVGLSA-N 320.393 -0.589 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)c2conc2C)C1 1220260227 KEILTCNJIBBARH-RTXFEEFZSA-N 322.365 -0.551 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)C2(CF)CC2)C1 1220340990 JYLFSKMQUNNTIE-TUAOUCFPSA-N 311.357 -0.965 30 20 DBED C=CCCCN1C[C@H](O)[C@H](NC(=O)[C@H](C)N2CCOCC2)C1 1221189806 LKRUDHXMMLJUKP-ZNMIVQPWSA-N 311.426 -0.165 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@H]2CCN(CC(=O)NCC)C[C@H]21 1221541005 JJPXFYIURIBYAZ-MGPQQGTHSA-N 307.394 -0.307 30 20 DBED CCO[C@H]1C[C@H]1C(=O)NCC1CCN(CC(=O)NCC#N)CC1 1222477319 RQBOXRBKAXVAKW-KGLIPLIRSA-N 322.409 -0.121 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)C[C@](C)(O)C2CC2)CC1 1226935093 ZIXKQNDWMICZCO-KRWDZBQOSA-N 321.421 -0.133 30 20 DBED C=CCOCC(=O)N(C)C[C@H]1CCN1CCN1CCNC1=O 1231240623 NBKHKGGVHXMNFG-CYBMUJFWSA-N 310.398 -0.253 30 20 DBED C[C@@H](C#N)C(=O)N(C)C[C@H]1CCN1CCCN1C(=O)CNC1=O 1231294578 ZDHGCJGPISFXMB-NWDGAFQWSA-N 321.381 -0.379 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)CCCC(=O)NC 1233847224 NQKSMNDZYAJMGL-ZDUSSCGKSA-N 322.409 -0.815 30 20 DBED COC1CC(C(=O)N(C)C[C@H]2CCN2CC(=O)NCC#N)C1 1235635998 WMBLCPDXTAKJBN-OTTFEQOBSA-N 308.382 -0.416 30 20 DBED C#CCOCCNC(=O)C(=O)N1C[C@H](C)O[C@]2(CCCOC2)C1 1260310318 WNZWJXKRSLPWIC-XJKSGUPXSA-N 324.377 -0.451 30 20 DBED CCN(CCOCCO)C(=O)C(=O)N1CCC[C@](C)(C#N)C1 1261342731 HXXBWROYAVIEAF-OAHLLOKOSA-N 311.382 -0.004 30 20 DBED N#CCNC(=O)CNC[C@H]1CCCN1C(=O)c1nccs1 1270281376 MABTXZKTBIGQFX-SNVBAGLBSA-N 307.379 -0.023 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N1CCn2nc(C)nc2C1 1320137444 MYIVYNVAJSMBNX-UHFFFAOYSA-N 313.383 -0.287 30 20 DBED C=C[C@@H](COC)NC(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 1321242694 CVDBKDQXPJORAG-QWRGUYRKSA-N 305.400 -0.232 30 20 DBED C#CCC[C@H](O)CNC(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1 1321649335 YZNACNICLAHHBD-GXFFZTMASA-N 323.374 -0.393 30 20 DBED C#CCNC(=O)[C@@H](C)OC(=O)Cn1nc2n(c1=O)CCCCC2 1322579340 MVBDAXQGIZWZRD-LLVKDONJSA-N 320.349 -0.548 30 20 DBED N#CCCCS(=O)(=O)N1CCC[C@H](CS(N)(=O)=O)C1 1322625063 BZRXNKMPRUCMNE-JTQLQIEISA-N 309.413 -0.380 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)NCCOC[C@@H]1CCOC1 1323497743 VJNFIWLBWNUJED-VXGBXAGGSA-N 300.355 -0.527 30 20 DBED N#CCC1(CNC(=O)C(=O)NCc2ccc(C(N)=O)nc2)CC1 1324832507 WYBZILZDEKNUDU-UHFFFAOYSA-N 315.333 -0.393 30 20 DBED C[C@@H]1CN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)C[C@@]1(C)CO 1327748896 OQBXPQFCJLXXFD-BYCMXARLSA-N 309.366 -0.660 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCc2cccnn2)C1=O 1328916063 FNGLWTJBUHZUIM-LBPRGKRZSA-N 317.349 -0.662 30 20 DBED C#CCN(C(=O)C(=O)NC[C@H]1COCCN1)C1CCCCC1 1330052605 SHVRATXBNPGQGU-ZDUSSCGKSA-N 307.394 -0.115 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N[C@H](C)c1ncn(C)n1 1330306216 PJPAWFYWMQGGHE-GHMZBOCLSA-N 307.354 -0.463 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)NC[C@H]2CCCNC2)CCN1C1CC1 1331187531 VPVBJTVUMWCTCJ-JSGCOSHPSA-N 319.409 -0.699 30 20 DBED C[C@](C#N)(NC(=O)COC(=O)[C@@H]1CCS(=O)(=O)N1)C1CC1 1332586885 GYXLPDXERCSTJL-JOYOIKCWSA-N 315.351 -0.970 30 20 DBED C=CCNC(=O)Cn1nnnc1N1CCO[C@H](COC(C)C)C1 1335814192 OQFWIKZALPYFGS-LBPRGKRZSA-N 324.385 -0.395 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(C)n2C)CC1 1336048997 IBXWFSOJNKGFRV-UHFFFAOYSA-N 324.406 -0.441 30 20 DBED C#CCN1CCN(c2nnc(-c3n[nH]cc3[N+](=O)[O-])n2C)CC1 1343486048 BSIZWBBHPMQCJN-UHFFFAOYSA-N 316.325 -0.131 30 20 DBED C#CCOc1ccccc1CNC(=O)C(=O)N1CC[C@@H](N)C1 1345155323 ONIMEZILWTYWMI-CYBMUJFWSA-N 301.346 -0.126 30 20 DBED N#C[C@@]1(F)CCN(C(=O)C(=O)NCCOC[C@@H]2CCCO2)C1 1345495630 XXHIASLLGDGANG-FZMZJTMJSA-N 313.329 -0.238 30 20 DBED COC(=O)NC1CCN(C(=O)C(=O)N(C)C[C@H](C)C#N)CC1 1347221963 DTRUFGDJZLLQLE-SNVBAGLBSA-N 310.354 -0.049 30 20 DBED C=C(CC)C(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 1348748542 DMPXVKMBCOZQDN-NEPJUHHUSA-N 302.396 -0.433 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2C[C@@H](CO)C[C@@H](C)C2)nn1 1349046408 UBCLERBTMYGUII-NEPJUHHUSA-N 321.381 -0.443 30 20 DBED COC[C@@H](NC(=O)CCn1cc(C#N)c(O)nc1=O)C1CC1 1362519170 XGECGGVEUQABGO-LLVKDONJSA-N 306.322 -0.248 30 20 DBED C[C@H]1CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)CC[S@@]1=O 1362648782 VGVAVDDBNRGHFB-AUADJRAKSA-N 324.362 -0.810 30 20 DBED CO[C@H](CC(C)C)C(=O)NCCn1cc(C#N)c(O)nc1=O 1363126493 DZTBAEFWGPILBW-LLVKDONJSA-N 308.338 -0.002 30 20 DBED CNC(=O)NC(=O)[C@@H](C)N(CCNC(=O)[C@@H](C)C#N)C1CC1 1372776727 LIUNXCKQYWICLC-VHSXEESVSA-N 309.370 -0.429 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](NC(=O)CCNC(N)=O)C(C)(C)C 1384354342 CBNSUMAQUWGQTR-NXEZZACHSA-N 311.386 -0.148 30 20 DBED C[C@@H](C#N)C(=O)NC1CN(C(=O)c2ccc(C(N)=O)cn2)C1 1387807539 YUCUYCIVTUBWOI-QMMMGPOBSA-N 301.306 -0.719 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)c2ccn(C)c2)C1 1390421533 IKJBNYDVTAMSJE-NHYWBVRUSA-N 304.350 -0.122 30 20 DBED C[C@H](CNC(=O)[C@H]1CCCC(=O)N1)NC(=O)c1cc(C#N)c[nH]1 1392273287 AGGCZDMHGBMGEE-MWLCHTKSSA-N 317.349 -0.210 30 20 DBED C=C(Cl)CNC[C@H](O)CNC(=O)C[C@@H]1CCS(=O)(=O)C1 1401545310 SDIMPQLNBGIGDC-QWRGUYRKSA-N 324.830 -0.370 30 20 DBED C=C(Cl)CN1CC(O)(CNC(=O)[C@@H]2CC(=O)N(C)C2)C1 1407403815 KTCUOPHITQAUJA-SNVBAGLBSA-N 301.774 -0.620 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCN(C)C(=O)c1cc2n(n1)CCO2 1409993798 HOFQHVBWMVKFQL-JTQLQIEISA-N 305.338 -0.034 30 20 DBED CC(C)Cc1noc(CNC[C@@H](O)CNC(=O)[C@@H](C)C#N)n1 1422267383 RMVVFJHKZSXQIM-WDEREUQCSA-N 309.370 -0.006 30 20 DBED CCN(C(=O)[C@H](C)C#N)[C@H](C)CNC(=O)CCNC(=O)NC 1426334659 KNZYCDJDJYJINL-GHMZBOCLSA-N 311.386 -0.182 30 20 DBED COC[C@@H](C)C(=O)NC[C@@H](O)CNC(=O)c1ccc(C#N)[nH]1 1431489226 BEBVMVFJMGEYAU-MWLCHTKSSA-N 308.338 -0.624 30 20 DBED Cc1nc(CC(=O)N[C@H](C)CNC(=O)c2ccc(C#N)[nH]2)n[nH]1 1431636938 KPQUWLYKLKGTHZ-MRVPVSSYSA-N 315.337 -0.210 30 20 DBED CC[C@@](C)(CCO)NC(=O)CCn1cc(C#N)c(O)nc1=O 1433874402 ISUDBXGGCJEVQY-AWEZNQCLSA-N 308.338 -0.122 30 20 DBED CCN(CCC#N)C(=O)CNC[C@@H](C)NC(=O)c1cnn(C)n1 1445444595 GUOXQBOVRAUUSA-LLVKDONJSA-N 321.385 -0.715 30 20 DBED C=C(Cl)CN1CC[C@](O)(CNC(=O)CS(C)(=O)=O)C1 1446760976 ZGVLOZVSNBPROJ-NSHDSACASA-N 310.803 -0.664 30 20 DBED CCn1cc(CC(=O)NC[C@H](O)CNC(=O)[C@H](C)C#N)cn1 1452404239 FYRBZRNFDQHSLZ-PWSUYJOCSA-N 307.354 -0.802 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1ocnc1C1CC1 1458037186 QKGRZYVHZCGGNW-PSASIEDQSA-N 306.322 -0.081 30 20 DBED N#Cc1ccccc1OCC(=O)NCc1nnc2c(=O)[nH]ccn12 1538188340 FGVVINZWGUWRFE-UHFFFAOYSA-N 324.300 -0.016 30 20 DBED C=CCOCC(=O)N[C@@H]1CCCN(CC(=O)NC(=O)NC)C1 1567761339 MWFVTGFYUBKCKS-LLVKDONJSA-N 312.370 -0.775 30 20 DBED C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN2)n1Cc1nnn(C)n1 1574485619 FSHYEZPXGITSOY-QWRGUYRKSA-N 315.385 -0.268 30 20 DBED C=CCN1C(=O)c2ccc(C(=O)N(C)C[C@H](O)CN)cc2C1=O 1574936915 ZINRNFLVHUNYNF-LLVKDONJSA-N 317.345 -0.140 30 20 DBED N#Cc1ncc(N[C@@H]2CCCS(=O)(=O)C2)nc1-c1nn[nH]n1 1581882553 CSLITPXKFXPZFM-SSDOTTSWSA-N 320.338 -0.483 30 20 DBED C[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N[C@@H](C#N)CO 1590028644 QVABAFYFRGLMLL-BDAKNGLRSA-N 302.294 -0.365 30 20 DBED N#CCSCC(=O)NCCN=c1cc[nH]cc1-c1nn[nH]n1 1592679659 YGYDZQSRJYLFAS-UHFFFAOYSA-N 318.366 -0.532 30 20 DBED C=CC[C@H](CO)NC(=O)C(=O)Nc1cccc(-c2nn[nH]n2)c1 1602816889 WIAVJNLHTNGKKT-LLVKDONJSA-N 316.321 -0.142 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@](C)(CC)C(=O)O)C1=O 1602894572 LGIMTJIKCRVWJO-ZDUSSCGKSA-N 311.294 -0.667 30 20 DBED N#C[C@H]1CSCCN1S(=O)(=O)c1cnn(CC(=O)O)c1 1608180223 WHVFDDZBKODDRZ-QMMMGPOBSA-N 316.364 -0.403 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCC(C(N)=O)CC1 1647177055 BAUYVALMUSEWCR-JTQLQIEISA-N 302.400 -0.090 30 20 DBED CC(=O)N[C@@H](CC(=O)N(C)Cc1cccc(C#N)c1)C(N)=O 1649710009 PQLACJMUYCKNGO-ZDUSSCGKSA-N 302.334 -0.103 30 20 DBED C=CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)Cc2ncc[nH]2)C1 1661359260 VQPKTUYXSHTDAN-RYUDHWBXSA-N 305.382 -0.167 30 20 DBED C#CCN1CCN(CCNC(=O)[C@H]2CCc3nncn3C2)CC1 1752375227 LUZSGNHLMCIMBY-AWEZNQCLSA-N 316.409 -0.793 30 20 DBED C#CCCCC(=O)N[C@H]1C[C@@H](NCC(=O)N2CCOCC2)C1 1752723619 SVQMUTPGIAZHSL-OKILXGFUSA-N 307.394 -0.115 30 20 DBED CN(CC(=O)N1CCC[C@H](CNCC#N)C1)S(C)(=O)=O 1752798932 ISEOEECKKXFXSB-LLVKDONJSA-N 302.400 -0.770 30 20 DBED C=CCNC(=O)CN[C@@H](C)CNC(=O)c1cc(CC)nn1C 1752907944 CBHOPHWMZDIDHA-NSHDSACASA-N 307.398 -0.007 30 20 DBED COCC#CCNCCN(C)C(=O)[C@H]1CCCCS1(=O)=O 1753197384 YBYMIXCJHDJTBD-CYBMUJFWSA-N 316.423 -0.349 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N1CC(NC(=O)[C@@H](C)C#N)C1 1753373193 NQPIGKVRCGSRQK-VHSXEESVSA-N 307.354 -0.653 30 20 DBED C[C@H](CC(=O)NC1CN(CC(=O)NCC#N)C1)[C@@H]1CCCO1 1753392978 YQOIACFPZSTACY-YPMHNXCESA-N 308.382 -0.368 30 20 DBED C=CCNC(=O)CN[C@H]1CC[C@H](NC(=O)[C@H](C)CC(N)=O)CC1 1753583797 SKZNBVZDAIJELW-JHJVBQTASA-N 324.425 -0.183 30 20 DBED CC(C)N(C)CC(=O)N1CC[C@H](NCC(=O)NCC#N)[C@H](C)C1 1753768719 LVWUZWQUWZKKHI-KGLIPLIRSA-N 323.441 -0.207 30 20 DBED N#CCNC(=O)CNC/C=C\CNC(=O)C[C@@H]1CCCOC1 1754207091 NQUJRDSOYPVIQO-FYDYADQUSA-N 308.382 -0.295 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CNC(=O)c1cnn(CC)c1 1754478627 RBNVMANMQBLGNQ-CYBMUJFWSA-N 303.366 -0.544 30 20 DBED C=CCCn1cc(C(=O)N2CCO[C@@H](CNCCCO)C2)nn1 1755012227 HOXRWNFFEQOJAS-ZDUSSCGKSA-N 323.397 -0.333 30 20 DBED CC(C)OCCC(=O)N1C[C@H](C)[C@H](NCC(=O)NCC#N)C1 1755103294 JXERSOWYPRNDHZ-QWHCGFSZSA-N 310.398 -0.122 30 20 DBED C=C(C)CCN[C@@H](C)[C@@H](C)NC(=O)CN1C(=O)C(=O)N(C)C1=O 1755256839 OXSAGZYIOCUANN-WDEREUQCSA-N 324.381 -0.144 30 20 DBED N#CCNC(=O)CNC[C@H]1C[C@H](NC(=O)c2cc(F)c[nH]2)C1 1755475388 XZTXTMRTJKJDOR-HOMQSWHASA-N 307.329 -0.108 30 20 DBED CN(CC(=O)NCC#N)C1CCN(C(=O)c2ccncn2)CC1 1755534774 WOKCHLBGFVTQKN-UHFFFAOYSA-N 316.365 -0.347 30 20 DBED C=CCCC(=O)NC[C@H](CO)NC[C@H]1CCS(=O)(=O)C1 1755622196 CTNFVRAZIJZMAW-VXGBXAGGSA-N 304.412 -0.546 30 20 DBED CC(C)(C(N)=O)C(=O)N[C@H]1CC[C@@H](CNCC(=O)NCC#N)C1 1755736572 XYIYLUQQHOQZDH-MNOVXSKESA-N 323.397 -0.988 30 20 DBED CC(=O)Nc1ccc(C(=O)N(C)C[C@H](O)CNCC#N)nc1 1755780823 MYYOPNMFKLLRAH-GFCCVEGCSA-N 305.338 -0.414 30 20 DBED CCOc1cc(C(=O)N[C@H](CO)CNC(=O)C#CC2CC2)on1 1756520344 ZNWBXYWLPBVGNG-NSHDSACASA-N 321.333 -0.306 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H](CO)NC(=O)c1ccnc(C)c1 1756521154 KPZQNLQGEICEFI-JSGCOSHPSA-N 319.361 -0.365 30 20 DBED C=C(C)CCC(=O)N[C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1OC 1757131337 DTTPDAHDXOFHES-VXGBXAGGSA-N 322.369 -0.629 30 20 DBED C=CCOCC(=O)N1CC[C@H]1CN(C)C(=O)C(=O)NCC1CC1 1757302651 XFGRUNIOHBOUGC-ZDUSSCGKSA-N 323.393 -0.226 30 20 DBED CC(=O)N1CC(C(=O)N[C@H]2C[C@@H](CNC(=O)C#CC3CC3)C2)C1 1757317924 IHLOHNZVARWFOO-OTVXOJSOSA-N 317.389 -0.111 30 20 DBED C#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)=O)[C@H]2C1 1786349805 KGJGVZSEMIIBKI-IHRRRGAJSA-N 306.362 -0.032 30 20 DBED CC[C@@H](NC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC#N)[C@H]2C1 1786365704 UPRARDMJFAFVFQ-FQUUOJAGSA-N 322.409 -0.122 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CCC(O)CC1)C2 1800454940 SBBIPJAZZKWGCN-KEEGFVMWSA-N 320.389 -0.240 30 20 DBED C=CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)NC(C)=O)C2 1801001409 MPJYSFYXXUUPLE-IKVITTDRSA-N 323.393 -0.323 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CCC(O)CC1 1801136730 DURLMVINFSICJZ-KEEGFVMWSA-N 320.389 -0.240 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)NC2CC2)CC1 48007505 KAAWDXHQLPGMLJ-NSHDSACASA-N 308.382 -0.900 30 20 DBED C#CC[C@@H](NS(=O)(=O)N1CCC(C(=O)OC)CC1)C(=O)O 159578950 OGSUNVOXCURFFX-SNVBAGLBSA-N 318.351 -0.818 30 20 DBED C#CCCCNC(=O)CCNS(=O)(=O)c1cn(C)c(C)n1 172943199 DSHHQZVQZKGVAQ-UHFFFAOYSA-N 312.395 -0.073 30 20 DBED C=C(C)CN(C)C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 180390550 QABMWBNKRWVGFC-UHFFFAOYSA-N 305.338 -0.532 30 20 DBED CNC(=O)[C@H]1CN(CC(=O)Nc2ccc(C#N)cc2)CCO1 184086357 PXSGGWRLLPGNBL-CYBMUJFWSA-N 302.334 -0.056 30 20 DBED C#CCSCCNC(=O)Cn1cc(S(N)(=O)=O)cn1 265891325 RSXOPGNHYVJFNE-UHFFFAOYSA-N 302.381 -0.987 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C)[C@@H]2CCCNC2)C1=O 269219124 RXEVJZVITNFEJJ-GHMZBOCLSA-N 322.365 -0.533 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)c2ccc(C#N)[nH]2)CC1 269747102 OKXIQEILMVENCS-UHFFFAOYSA-N 313.361 -0.216 30 20 DBED COc1ccc(C#N)cc1NC(=O)C(=O)N(CCO)CCCO 275980581 UANAEGDJRDTJLM-UHFFFAOYSA-N 321.333 -0.291 30 20 DBED COC[C@@H](O)CNc1nc(NC[C@@H](O)COC)ccc1C#N 278431601 PQWOEDLNGHRYOC-NEPJUHHUSA-N 310.354 -0.208 30 20 DBED C=CCN1CC[C@@H](N2CCS(=O)(=O)C[C@H]2C(=O)OC)C1=O 281484966 WWGBECNMIJFTPC-MNOVXSKESA-N 316.379 -0.955 30 20 DBED C#CCN(CC#N)C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 281536886 NACKWAUQMLCSQW-UHFFFAOYSA-N 311.301 -0.769 30 20 DBED C=C[C@@H](CO)NC(=O)NCCCn1nc2n(c1=O)CCCC2 291395528 WVFUAXOYXLSXIS-NSHDSACASA-N 309.370 -0.383 30 20 DBED CN(C)c1cc(C#N)cc(C(=O)N2CCO[C@@H](C(N)=O)C2)c1 292924924 GNLYILYMFZIQRY-CYBMUJFWSA-N 302.334 -0.049 30 20 DBED C#CCO[C@H](C)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C 294460600 NUYJUAZAIZKTMI-SECBINFHSA-N 316.317 -0.391 30 20 DBED CCN1CN([C@H](C)/C(O)=N/[C@H]2CCS(=O)(=O)C2)CC1=O 330131852 PXSHDRRZHALNEU-ZJUUUORDSA-N 303.384 -0.360 30 20 DBED C[C@@H]1CN(/C(O)=N/C[C@@H]2COCCO2)C[C@H]1N1CCOCC1 330287658 BHOXPCHECZJATN-MGPQQGTHSA-N 313.398 -0.032 30 20 DBED CC1(C)COCCN1CCN/C(O)=N/CCNS(C)(=O)=O 330505176 ALOWUBRGVLGBPW-UHFFFAOYSA-N 322.431 -0.850 30 20 DBED COC(=O)C[C@@H]1CCCN1/C(O)=N/CC(=O)N1CCOCC1 330691738 ZKSOKKPEZZKHGJ-NSHDSACASA-N 313.354 -0.213 30 20 DBED CNS(=O)(=O)C[C@H]1CCCN1[C@@H](C)C(=O)N(C)CCC#N 331186460 UAHIPMJEQAEKAC-NWDGAFQWSA-N 316.427 -0.239 30 20 DBED CN(C)S(=O)(=O)CCCS(=O)(=O)N(CC#N)C1CC1 331738135 CZIDPTIYSXCKQQ-UHFFFAOYSA-N 309.413 -0.414 30 20 DBED N#CCN1CCN(C(=O)Cn2nc3ccccn3c2=O)CC1 332116165 BCDLFLGUCNCUFD-UHFFFAOYSA-N 300.322 -0.836 30 20 DBED N#Cc1ncn(CC(=O)Nc2cccc(C(=O)NC(N)=O)c2)n1 338752722 ZITLEWZQNMSPGW-UHFFFAOYSA-N 313.277 -0.403 30 20 DBED CC(C)[C@@H]1CCN1S(=O)(=O)CCCS(=O)(=O)NCC#N 349465897 YRRGYDOORNETAN-NSHDSACASA-N 323.440 -0.120 30 20 DBED C[C@@H]1C[C@@H](C)CN(S(=O)(=O)NCCn2cnc(C#N)n2)C1 352642917 RMYZBQCTIRTHKK-GHMZBOCLSA-N 312.399 -0.038 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 352643038 DKAQOWGDJQKYCT-OUAUKWLOSA-N 321.424 -0.416 30 20 DBED COCc1nn(CCS(=O)(=O)c2ccc(C#N)cn2)c(=O)o1 361007826 SVGCCBSUHNKZCN-UHFFFAOYSA-N 324.318 -0.277 30 20 DBED CC(C)[C@@H]1C(=O)NCCN1S(=O)(=O)N(C)C[C@@H](C)C#N 407956421 LUSVFBATDOGNMV-WDEREUQCSA-N 302.400 -0.221 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@@H](C)C(=O)NC(C)C 416625612 RZJXDQPBKLWSPL-NSHDSACASA-N 320.415 -0.404 30 20 DBED N#CCCC[C@H](N)C(=O)NC[C@H](N1CCNCC1)C(F)(F)F 424180873 WPWCYMZEOCKQKS-QWRGUYRKSA-N 321.347 -0.040 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CC[C@@H](C)[C@H](CN)C2)nn1 424548948 QOPDSBLKVFIXKH-VXGBXAGGSA-N 320.397 -0.476 30 20 DBED Cn1nnc(CNC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)n1 427901051 AONORORJLWSWIA-UHFFFAOYSA-N 319.712 -0.010 30 20 DBED C=CCOC[C@H](NC(=O)c1c(C)c(C)nn(C)c1=O)C(=O)OC 435941451 KPLWGMPEZOKKFQ-NSHDSACASA-N 323.349 -0.129 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)C(=C)CN(C)C)CC1 491504027 FVKAHJPDLQBIJO-UHFFFAOYSA-N 306.410 -0.612 30 20 DBED C#CCN(C)CCCNC(=O)c1cc(S(N)(=O)=O)c(C)o1 491762012 YTELXVQDCFKTBE-UHFFFAOYSA-N 313.379 -0.080 30 20 DBED COc1cc(C#N)ccc1S(=O)(=O)N[C@H](C(=O)O)[C@@H](C)O 547877647 QEHSWVUZBBBOHR-HQJQHLMTSA-N 314.319 -0.321 30 20 DBED N#C[C@@]1(NC(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)CCOC1 560384354 GNCLTJNVBIJLEH-RWSFTLGLSA-N 303.318 -0.264 30 20 DBED CC[C@H](N)CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 566738913 FOWDJCOYKBNWAS-NSHDSACASA-N 310.379 -0.310 30 20 DBED C=CCOC[C@H](NC(=O)c1nc2ncccn2n1)C(=O)OC 597605761 AMPMTCVMXHJKGV-VIFPVBQESA-N 305.294 -0.402 30 20 DBED C[C@@H](NC(=O)C(=O)N1CCN(CCC#N)CC1)c1ccn(C)n1 602276881 NKJCPEHCSWQUDF-GFCCVEGCSA-N 318.381 -0.345 30 20 DBED N#Cc1ccc(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[nH]2)cn1 737710664 BQXZKASFWPHKHL-UHFFFAOYSA-N 306.249 -0.020 30 20 DBED C=CCOCCCC(=O)NCCS(=O)(=O)N1CCOCC1 742600337 BTQMFBPSBKBURO-UHFFFAOYSA-N 320.411 -0.253 30 20 DBED C#CCN(CC)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 749356506 OXWRVOFTKKDVSZ-UHFFFAOYSA-N 316.427 -0.772 30 20 DBED Cn1c(=O)ccn(CC(=O)OCc2ccnc(C#N)c2)c1=O 754716059 ZQYGSHDYFKDWMU-UHFFFAOYSA-N 300.274 -0.443 30 20 DBED Cn1c(N)c(C=NNc2ccc(C(=O)O)cn2)c(=O)n(C)c1=O 763370161 LTVBGIGKKKTJQQ-UHFFFAOYSA-N 318.293 -0.795 30 20 DBED C=CCN(CC=C)C(=O)[C@H](C)OC(=O)Cn1ncn(C)c1=O 781264929 YNKPCWYDAAGFHG-NSHDSACASA-N 308.338 -0.286 30 20 DBED CC(C)(C#N)CS(=O)(=O)N1CCN(S(C)(=O)=O)CC1 790010159 IOILYAUNGPNOAB-UHFFFAOYSA-N 309.413 -0.557 30 20 DBED C#CCC[C@@H](O)CNS(=O)(=O)c1cnn([C@@H]2CCOC2)c1 798485822 KSANKLHNJCBDFH-VXGBXAGGSA-N 313.379 -0.103 30 20 DBED CNC(=O)[C@@H](O)CNC(=O)c1ccn(-c2cccc(C#N)c2)n1 816328653 QNJKLRJHNOABHW-ZDUSSCGKSA-N 313.317 -0.419 30 20 DBED C=CCN(CC(=O)OCC)C(=O)c1cnn(C[C@@H](O)CO)c1 831216095 HFSKVSCNUIQDEE-GFCCVEGCSA-N 311.338 -0.572 30 20 DBED C#CC[C@H](NC(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O)C(=O)OC 837931538 NVELVVGPTKYAAO-TUAOUCFPSA-N 320.345 -0.157 30 20 DBED C#CC[C@@H](NC(=O)[C@H]1CCCCN1S(C)(=O)=O)C(=O)OC 837932559 ATIBAYOLGPYFKR-GHMZBOCLSA-N 316.379 -0.518 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1CS(=O)(=O)C[C@H]1OC 855476481 PESFCLHUPAXVCG-SDDRHHMPSA-N 300.380 -0.988 30 20 DBED COc1cc(C=NNC2=NCC(=O)N2)ccc1OCCC(=O)O 863175728 PWOYHBSSNOBVKA-UHFFFAOYSA-N 320.305 -0.042 30 20 DBED C#CCNS(=O)(=O)N1CCN(S(=O)(=O)CC(C)C)CC1 872515780 VWXRDRDNWVJZOG-UHFFFAOYSA-N 323.440 -0.943 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)Cn1ccccc1=O 894035727 LFBPZFRJTWDSLO-SNVBAGLBSA-N 307.306 -0.208 30 20 DBED C[C@@]1(C2CC2)NC(=O)N(CC(=O)[C@@H](C#N)C(=O)NC2CC2)C1=O 916926522 HQZNPFDLPBVPBS-BMIGLBTASA-N 318.333 -0.306 30 20 DBED C#CC[C@@H](CO)NC(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O 918096878 ZDFBZPBTYBCUMD-DTWKUNHWSA-N 307.272 -0.167 30 20 DBED CN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CCN(C(=O)c2nc[nH]n2)C1 939080609 DMAKEMDYRJWSPQ-SNVBAGLBSA-N 313.321 -0.009 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)c3cnn[nH]3)C2)cn1 941446375 OXQPDCBWGDXUAI-GFCCVEGCSA-N 310.317 -0.175 30 20 DBED C=CCN1CC[C@H](NC(=O)CN2CCN(C)C(=O)C2)[C@@H](C)C1 942199745 GVNZTNYTXKGIGO-KBPBESRZSA-N 308.426 -0.227 30 20 DBED C#Cc1cncc(C(=O)N2CCC[C@H](NC(=O)C(N)=O)C2)c1 951958045 PLNSEVKWEGMEAM-LBPRGKRZSA-N 300.318 -0.731 30 20 DBED C[C@H](C#N)C(=O)N1[C@H]2CCC[C@H]1CN(C(=O)[C@@H]1COC(=O)N1)C2 952706809 DMFADUHIFKESGZ-RHYQMDGZSA-N 320.349 -0.154 30 20 DBED N#CCN1CCN(C(=O)c2cn(C[C@@H]3CCOC3)nn2)CC1 953835537 IDEBOMBEPFTUDV-LBPRGKRZSA-N 304.354 -0.404 30 20 DBED CN(C(=O)[C@]1(C)CCNC1=O)C1CN(C(=O)C#CC2CC2)C1 955330120 IKWCZSCFJPYAFA-MRXNPFEDSA-N 303.362 -0.405 30 20 DBED C#CCN1CCC(C(=O)N(CC)C2CN([C@H](C)C(N)=O)C2)CC1 957421969 AHOKMDSSLYDZGP-CYBMUJFWSA-N 320.437 -0.262 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@](C)(NC(=O)c2ccc(C(N)=O)[nH]2)C1 957613734 XSXHJWKFFQZQJS-BJOHPYRUSA-N 317.349 -0.006 30 20 DBED CC#CCN1C[C@H](O)[C@H](CNC(=O)c2cccn3nnnc23)C1 958092359 QNCWREXAHYDYHV-YPMHNXCESA-N 314.349 -0.830 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](CNC(=O)c2ccc(C(N)=O)[nH]2)C1 958409531 UPFSZEPUIHMESU-ZWNOBZJWSA-N 306.366 -0.288 30 20 DBED C=CCCN1C[C@@H](O)[C@@H](CNC(=O)c2cccc(C(N)=O)n2)C1 958736026 HUDYJWZCGRIXTF-SMDDNHRTSA-N 318.377 -0.221 30 20 DBED O=C(N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O)c1ccc(F)cn1 962406540 BEOXZOGCSLRDJJ-KGLIPLIRSA-N 317.320 -0.064 30 20 DBED Cc1n[nH]cc1C(=O)N1CCOC2(C1)CN(C(=O)[C@H](C)C#N)C2 965438463 RWDXWOODRUSOOE-SNVBAGLBSA-N 317.349 -0.069 30 20 DBED O=C1N[C@@H](C(=O)N2[C@H]3CC[C@H]2CN(C(=O)C#CC2CC2)C3)CO1 968943446 QCOSZUXQRRTSGK-RWMBFGLXSA-N 317.345 -0.290 30 20 DBED CC#CCN1CCO[C@@]2(CCN(C(=O)c3cnnn3C)C2)C1 972363511 AUDUBLHUASXSBG-HNNXBMFYSA-N 303.366 -0.245 30 20 DBED N#CCN1CCO[C@]2(CCN(C(=O)[C@@H]3CCCN3C(N)=O)C2)C1 972696813 PMWMUASZLWBUIJ-SWLSCSKDSA-N 321.381 -0.644 30 20 DBED CN1CC[C@@H](C(=O)N[C@H]2CN(CC#N)CC2(C)C)S1(=O)=O 977321828 ZUYPGJPADXNPDR-QWRGUYRKSA-N 314.411 -0.630 30 20 DBED N#CCN1C[C@@H]2C(CNC(=O)C3CCS(=O)(=O)CC3)[C@H]2C1 978823425 JHVJCQVWSUJONA-CHWSQXEVSA-N 311.407 -0.371 30 20 DBED C=CCN1C[C@H]2C[C@H](NC(=O)Cn3ncn(C)c3=O)CC[C@H]2C1 980087068 QXTGNFNXMWNILR-BFHYXJOUSA-N 319.409 -0.016 30 20 DBED O=C1CC[C@@H](C(=O)NC[C@@H]2CCN(C(=O)C#CC3CC3)C2)CN1 982740696 ZOZVHFYBCIRGRL-UONOGXRCSA-N 317.389 -0.109 30 20 DBED CC(=O)N1CC(C(=O)N(C)C[C@H]2CCN(C(=O)[C@H](C)C#N)C2)C1 988289631 XZZGBTPJMSSBDF-DGCLKSJQSA-N 320.393 -0.069 30 20 DBED C#CCN[C@H]1C[C@H](C)N(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 989569962 ZLISDSSGIOLNAS-QWRGUYRKSA-N 314.349 -0.717 30 20 DBED C[C@H]1C[C@@H](NCC#N)CN1C(=O)Cn1nc2n(c1=O)CCCC2 989650231 MRQCFGVSBJEHGW-NWDGAFQWSA-N 318.381 -0.516 30 20 DBED N#Cc1ccc(C(=O)NC2CN(C(=O)C3(C(N)=O)CC3)C2)[nH]1 990892499 CZNJMFKEVCVULM-UHFFFAOYSA-N 301.306 -0.908 30 20 DBED C#CCOc1ncccc1C(=O)N[C@@H]1CCN(C(C)=O)C[C@H]1O 991638302 LYDRYSTZWOHNRN-ZIAGYGMSSA-N 317.345 -0.195 30 20 DBED C=CCn1cc(C(=O)NC2CN(C(=O)[C@@H]3C[C@H](C)CO3)C2)nn1 991673882 QJDSMLNNYDORHQ-GWCFXTLKSA-N 319.365 -0.170 30 20 DBED C=C(Cl)C(C)(C)C(=O)N1CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C1 991728419 MKWVAAWARTYFJI-BDAKNGLRSA-N 317.773 -0.672 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCCN(CC(=O)NC)[C@H]2C)nn1 993947113 FRVCICOCCKQLRJ-NWDGAFQWSA-N 320.397 -0.207 30 20 DBED C=CCCn1cc(C(=O)N[C@@H]2CCCN(CC(N)=O)[C@H]2C)nn1 993991600 VDBIBEKHRFANIS-NWDGAFQWSA-N 320.397 -0.078 30 20 DBED C=CCCn1cc(C(=O)N2CCC(N[C@@H](C)C(N)=O)CC2)nn1 997090703 VXLJBXMLDYIJRN-NSHDSACASA-N 320.397 -0.078 30 20 DBED C=CCn1cc(C(=O)NC2CCN([C@H](CC)C(N)=O)CC2)nn1 1003755153 QLFJLVZRQDXNFK-CYBMUJFWSA-N 320.397 -0.078 30 20 DBED COc1c(O)nc(O)nc1C(=O)NC1CCN(CC#N)CC1 1003961628 LKNXQLVWIJXVDJ-UHFFFAOYSA-N 307.310 -0.386 30 20 DBED C#CCCN1CCC[C@H](NC(=O)Cn2nc(C)n(C)c2=O)C1 1009381455 GEMOCNMHEGLVLW-ZDUSSCGKSA-N 305.382 -0.506 30 20 DBED COCC(=O)N1CCO[C@H]([C@H](C)NC(=O)c2cc(C#N)c[nH]2)C1 1009614051 VKBSZCMBFRHDJM-GWCFXTLKSA-N 320.349 -0.122 30 20 DBED C[C@@H](C#N)C(=O)N1CCCC2(C1)CN(C(=O)[C@H]1CCC(=O)N1)C2 1010584195 NBDCOARZDCFJHS-NWDGAFQWSA-N 318.377 -0.124 30 20 DBED C=C1CC(C)(C(=O)N2CCN(C(=O)[C@@H]3CNC(=O)N3)CC2)C1 1012289929 DLPXLLQGEMYOLC-NSHDSACASA-N 306.366 -0.305 30 20 DBED C#Cc1cncc(C(=O)N[C@H]2C[C@@H](C)N(C(=O)CC(N)=O)C2)c1 1012406773 CXRVWSIHQQDRRO-MFKMUULPSA-N 314.345 -0.343 30 20 DBED C[C@H]1[C@@H](NC(=O)[C@@H]2COCCN2C)CCN1C(=O)C#CC1CC1 1020249291 YFLFJICAWSELCM-QEJZJMRPSA-N 319.405 -0.164 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCN(C)C2=O)C1 1025142924 KBBVUEXAHTYMEQ-QJPTWQEYSA-N 323.393 -0.635 30 20 DBED C#CCNC1CCC(NC(=O)[C@H]2CCN(C)S2(=O)=O)CC1 1026575619 CWVSNUHXRJWMHW-WXRRBKDZSA-N 313.423 -0.330 30 20 DBED N#Cc1ccc(C(=O)NC2CN(CC(=O)N3CCCC3)C2)[nH]1 1030222358 BPXAKFRNGIFYMA-UHFFFAOYSA-N 301.350 -0.077 30 20 DBED N#CCN1CC(CNC(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)C1 1032047062 OBTKKGKKYFSYEK-ZIAGYGMSSA-N 303.366 -0.140 30 20 DBED C#CCCN1CCO[C@H](CNC(=O)[C@H]2CCC(=O)N(C)C2)C1 1035618350 ZOSYTWSAYSYARL-UONOGXRCSA-N 307.394 -0.305 30 20 DBED C#CCCN1CCO[C@H](CNC(=O)[C@@H]2CCCN2C(N)=O)C1 1035624183 MNVNHXYFIBGFRD-OLZOCXBDSA-N 308.382 -0.630 30 20 DBED Cn1cc(C(=O)N2[C@H]3CC[C@H]2CN(CC#N)CC3)ncc1=O 1039408083 XPQSGOYTGUGZDL-RYUDHWBXSA-N 301.350 -0.017 30 20 DBED CC(C)C#CC(=O)NC[C@]1(O)CCN(C(=O)c2ccn(C)n2)C1 1039668308 SKTZXVULIPNPPI-MRXNPFEDSA-N 318.377 -0.227 30 20 DBED C[C@H]1C[C@@H]1C(=O)NCC1(O)CN(C(=O)c2cc(C#N)c[nH]2)C1 1041284894 IESPYHSHGKMEMD-ONGXEEELSA-N 302.334 -0.155 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(O)(CNC(=O)COCC)C1 1041309871 QBXMXEGXKGVGOR-NEPJUHHUSA-N 312.366 -0.697 30 20 DBED CNC(=O)CCCC(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1042678825 FBEPNXDRGHGSNC-UHFFFAOYSA-N 321.377 -0.994 30 20 DBED C[C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1Nc1ncccc1C#N 1043076707 JKSWOCZLXXSZGH-ZYHUDNBSSA-N 312.337 -0.101 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)C2CC(OC)C2)C1 1043490250 BAQJKBAUNNKSOY-UHFFFAOYSA-N 312.366 -0.697 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)C2(C3CC3)CC2)C1 1043492576 LKAROQCZTZVQPV-GFCCVEGCSA-N 320.389 -0.096 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCO[C@@H]2C)C1 1045287328 UQNFZKPEGAQUCX-CHWSQXEVSA-N 324.377 -0.859 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)C(=O)NCC2CC2)C1 1045351911 PNSRENJUVMJJDF-UHFFFAOYSA-N 309.366 -0.832 30 20 DBED N#CCN1CC[C@@]2(CCCCN(C(=O)Cn3ncnn3)C2)C1 1045941668 LFCXQMZBBXJGTQ-AWEZNQCLSA-N 303.370 -0.099 30 20 DBED N#CCN1CC[C@@H](N2CCN(C(=O)c3cccnn3)CC2)C1 1046072828 OLRKLSMIHNVEFR-CYBMUJFWSA-N 300.366 -0.168 30 20 DBED C=C1CC(C)(C(=O)NCC2(O)CN(C(=O)[C@@H](C)CC(N)=O)C2)C1 1046311633 IMCFZXKFGHJUAL-NSHDSACASA-N 323.393 -0.456 30 20 DBED N#CCN1CC[C@H]2[C@H]1CCCN2C(=O)C[C@@H]1NC(=O)NC1=O 1049526429 HWXAWWKAWSBYMG-AXFHLTTASA-N 305.338 -0.827 30 20 DBED C#CCN1C[C@@H]2CCCN(C(=O)CN3CC(=O)NC3=O)[C@@H]2C1 1050166299 RUHXFLYITBCESB-NWDGAFQWSA-N 304.350 -0.906 30 20 DBED C#CCN1CCN([C@H]2CCN(C(=O)C3CN(C(C)=O)C3)C2)CC1 1052018412 JXHYGUROKVZYLG-INIZCTEOSA-N 318.421 -0.684 30 20 DBED C=C(C)CN1CCN([C@H]2CCN(C(=O)Cn3ncnn3)C2)CC1 1052028512 PXVPRALUKHJVKJ-AWEZNQCLSA-N 319.413 -0.532 30 20 DBED Cc1nonc1C(=O)N1CC[C@H](N2CCN(CC#N)CC2)C1 1052123376 GFUMOTLHQUYZOB-LBPRGKRZSA-N 304.354 -0.266 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)[C@H]3C[C@@H](C)CC(=O)N3)CO2)C1 1053805673 VQZQUHIMNSNKPO-MGPQQGTHSA-N 319.405 -0.116 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)C3CCC(C(N)=O)CC3)CO2)C1 1053855370 LSDSSVDHNMPSRF-JXQTWKCFSA-N 319.405 -0.129 30 20 DBED Cc1ncnc(O)c1C(=O)N[C@H]1COC2(C1)CN(CC#N)C2 1053902276 YLQJMOFHCUKHMF-SNVBAGLBSA-N 303.322 -0.413 30 20 DBED C=CCCN1CC2(C[C@H](NC(=O)c3cn(C)c(=O)n3C)CO2)C1 1054018641 HDYWHTQBFQCPFY-LBPRGKRZSA-N 320.393 -0.127 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H]2CN(C(=O)[C@@H]3C[C@@H]3C)C[C@H]2C1 1055138780 NVJCJXMGYGELKF-IGQOVBAYSA-N 317.389 -0.301 30 20 DBED N#Cc1cnc(N2CCN(C(=O)C[C@@H]3COC(=O)C3)CC2)cn1 1055769574 RWYPMRHRAQGEDP-NSHDSACASA-N 315.333 -0.050 30 20 DBED Cc1cc(C#N)nc(N2CCN(C(=O)C(C)(C)C(N)=O)CC2)n1 1055932416 RCKGXJKHKWPPOL-UHFFFAOYSA-N 316.365 -0.183 30 20 DBED N#Cc1nccc(N2CCN(C(=O)CCc3cnn[nH]3)CC2)n1 1056025123 ZDAYMQBWXVZAGC-UHFFFAOYSA-N 312.337 -0.252 30 20 DBED Cc1cc(C#N)nc(N2C[C@H]3C(NC(=O)c4cnnn4C)[C@@H]3C2)n1 1056196081 YVIYLZPRYJQWCE-GHMZBOCLSA-N 324.348 -0.350 30 20 DBED N#Cc1ccc(N2C[C@@H]3C(NC(=O)Cn4ncnn4)[C@H]3C2)nc1 1056309810 NCFHROJVTYGJIW-QWRGUYRKSA-N 310.321 -0.809 30 20 DBED N#Cc1ccc(N2C[C@H]3C(NC(=O)[C@H]4CCNC4=O)[C@@H]3C2)nc1 1056356105 RQRXYZWVXQJWBA-QJPTWQEYSA-N 311.345 -0.360 30 20 DBED Cc1ncncc1C(=O)N(CCO)CCNC(=O)C#CC1CC1 1057083688 YZCVHNYEEMFBLK-UHFFFAOYSA-N 316.361 -0.251 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)C1CN(C(C)=O)C1 1057435365 YKWFSEYLWBVXLJ-UHFFFAOYSA-N 311.382 -0.632 30 20 DBED N#Cc1nccc(N2CCC[C@H](NC(=O)Cn3cncn3)C2)n1 1058159909 BBCDGELICFASOD-NSHDSACASA-N 312.337 -0.275 30 20 DBED N#Cc1ccc(N2CCC[C@@H](NC(=O)[C@@H]3CCNC3=O)C2)nn1 1058220744 LLJPRXIRJXOEJT-VXGBXAGGSA-N 314.349 -0.431 30 20 DBED N#Cc1cnc(N2CC[C@@H](NC(=O)[C@@H]3COCCO3)C2)cn1 1058304997 NVJCEIJMPBZVOU-PWSUYJOCSA-N 303.322 -0.541 30 20 DBED C#CCOCCC(=O)NCCN(CCO)C(=O)CCCF 1058400710 JQDZQHXWQUCNKK-UHFFFAOYSA-N 302.346 -0.287 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)CC1=CCOCC1 1058733532 BNWCTJWMXNCPCQ-GFCCVEGCSA-N 309.366 -0.180 30 20 DBED C[C@@]1(C(=O)N[C@H]2C[C@H](Nc3nccnc3C#N)C2)CCNC1=O 1059409900 DVGLFNBDIZOJFU-IQMDTDKHSA-N 314.349 -0.066 30 20 DBED Cc1cc(C#N)nc(N[C@H]2C[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)n1 1059413687 SZVHOHGXQMRYAF-IQIPOGNMSA-N 314.349 -0.163 30 20 DBED C=C(C)CCC(=O)NC[C@@H]1COCCN1C(=O)[C@H]1CCNC1=O 1061633710 YEKUVGHECIYEEE-OLZOCXBDSA-N 323.393 -0.178 30 20 DBED COc1nc(C(=O)N2CCOC[C@@H]2CNC(=O)[C@H](C)C#N)co1 1061854329 YBUZZTHICMMNIB-ZJUUUORDSA-N 322.321 -0.200 30 20 DBED C#CCO[C@@H](C)C(=O)NC1(CNC(=O)[C@H]2COC(=O)N2)CCC1 1062904405 ZYSJNLJSHWTIMV-WDEREUQCSA-N 323.349 -0.712 30 20 DBED C=CCCC(=O)N1CCO[C@H](CNC(=O)[C@@H]2COC(=O)N2)C1 1064956410 XAOYFRYKURTHOA-MNOVXSKESA-N 311.338 -0.595 30 20 DBED C=CCCC(=O)N1CC2(CN(C(=O)CNC(N)=O)CCO2)C1 1068296942 MATIYNQIFACRFP-UHFFFAOYSA-N 310.354 -0.939 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCOC2(C1)CN(C(=O)[C@H](C)C#N)C2 1068388972 SWHDCUFZJKERAM-IUODEOHRSA-N 321.377 -0.087 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1COC2(C1)CN(C(=O)c1ccnn1C)C2 1069002297 DGCDQHOZLXECPM-QWRGUYRKSA-N 317.349 -0.321 30 20 DBED C#CCCCCC(=O)NC1(CNC(=O)CC(N)=O)CCOCC1 1070081573 CWTSHZYUGBKWAU-UHFFFAOYSA-N 323.393 -0.163 30 20 DBED Cc1cc(C(=O)N2C[C@H](n3ccnn3)[C@H](NCC#N)C2)cnn1 1070187924 XHPRHZKPLCZBFA-OLZOCXBDSA-N 312.337 -0.445 30 20 DBED C#CCN1CC2(C1)CN(C(=O)COC)C[C@@H]2c1n[nH]c(C)n1 1070435587 LFPDYLROWWPPSV-GFCCVEGCSA-N 303.366 -0.379 30 20 DBED C[C@H]1C[C@@H]1C(=O)NCc1nc([C@@H]2COCCN2CC#N)n[nH]1 1070589724 KKEMOCIUFYHCIX-DCAQKATOSA-N 304.354 -0.026 30 20 DBED CC#CCN1CCNC(=O)CCN(C(=O)c2cnccn2)CC1 1070933446 MHPHZGTVDVJFQK-UHFFFAOYSA-N 315.377 -0.236 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H](N2CCN(CCCO)CC2=O)C1 1071258797 QXHVLKBUSYLDEN-UONOGXRCSA-N 322.409 -0.336 30 20 DBED C#CCOCCC(=O)N1C[C@H](C)[C@@H](NC(=O)Cn2cncn2)C1 1072097334 LUEOKBWOCIJUBY-STQMWFEESA-N 319.365 -0.719 30 20 DBED CC(=O)N(Cc1cn(C)c(=O)n(C)c1=O)[C@@H]1CCN(CC#N)C1 1072134633 VSTSQYLRPQCMCE-CYBMUJFWSA-N 319.365 -0.970 30 20 DBED CC#CCN1CCCO[C@H](CNC(=O)[C@H]2COCCN2CC)C1 1073664462 HDNGKOIOPKHXNK-HZPDHXFCSA-N 323.437 -0.063 30 20 DBED Cc1ncnc(O)c1C(=O)NC[C@@H]1CN(CC#N)CCCO1 1073739612 YVTTZSRNXCMKIJ-LLVKDONJSA-N 305.338 -0.165 30 20 DBED C=CCC1(C(=O)N2CCC(O)(CNC(=O)C(N)=O)CC2)CCC1 1074717754 IFJMBCBHFIWGFI-UHFFFAOYSA-N 323.393 -0.312 30 20 DBED C[C@@H](CCNC(=O)c1ccc(C(N)=O)cn1)NC(=O)[C@H](C)C#N 1077173316 OLYRQADTGJIWJE-ZJUUUORDSA-N 317.349 -0.035 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H](C)CCNC(=O)c1c[nH]c(=O)cn1 1078077249 RNAXKZRGGHMJER-ZUZCIYMTSA-N 322.365 -0.278 30 20 DBED C=CCOCC(=O)N(CC)C1CN(C(=O)c2cnn(C)c2N)C1 1079490430 OUHZCUYIRFEYBZ-UHFFFAOYSA-N 321.381 -0.122 30 20 DBED CC(C)[C@@H](O)C(=O)NC1(CO)CCN(C(=O)[C@H](C)C#N)CC1 1080842201 ZETWKGYCIQFPIO-VXGBXAGGSA-N 311.382 -0.367 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@@H]1O 1081336129 UDIVBZTZLLYBPZ-PWSUYJOCSA-N 307.354 -0.670 30 20 DBED CC(C)C#CC(=O)N1C[C@H](CNC(=O)c2nc[nH]n2)[C@@H](O)C1 1081653117 KARIFCQTOBPCNL-QWRGUYRKSA-N 305.338 -0.987 30 20 DBED C=CCC(CC=C)C(=O)N1C[C@@H](O)[C@H](CNC(=O)C(N)=O)C1 1081719006 LBLHRQIMJXZTBC-VXGBXAGGSA-N 309.366 -0.824 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@H](CNC(=O)CCN(C)C)C1 1081729033 FGUJWUJKLSVCNA-KGLIPLIRSA-N 309.410 -0.323 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1cccc(C(N)=O)n1 1082389324 JQDOUPKKUCCBCF-VXGBXAGGSA-N 303.322 -0.867 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cnn2c1CCC2 1083099601 SQPWBYSUIXGVDK-LSDHHAIUSA-N 300.362 -0.012 30 20 DBED Cc1cc(C)n(CC(=O)N2CCO[C@@H]3CN(CC#N)C[C@@H]32)n1 1083137116 IRDFVDMAPUMXFM-UONOGXRCSA-N 303.366 -0.065 30 20 DBED C=CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CCCS1(=O)=O 1083280109 FPVWFYNSMCTDGZ-YNEHKIRRSA-N 314.407 -0.339 30 20 DBED C=CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)C[C@H]1CC(=O)NC1=O 1083292483 IBCJCRQTICKWPC-FRRDWIJNSA-N 321.377 -0.473 30 20 DBED C#CCCN1CC[C@@H]2CN(C(=O)c3ccc(=O)n(C)n3)[C@@H]2C1 1084814653 PSAHCYACGKSEIA-TZMCWYRMSA-N 300.362 -0.050 30 20 DBED Cc1nsc(N2C[C@@H](O)[C@H](NC(=O)CSCC#N)C2)n1 1090374316 WPVFSPHDRJYSRJ-RKDXNWHRSA-N 313.408 -0.231 30 20 DBED CC[C@H](C)OCC(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1O 1090409438 LRHQKHYFOJDIKQ-QJPTWQEYSA-N 319.365 -0.171 30 20 DBED CC[C@H](C(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1O)N(C)C 1090454676 IFERXDGBWQEEEF-JHJVBQTASA-N 318.381 -0.646 30 20 DBED C#Cc1ccccc1CC(=O)N[C@H]1CCN(CC(N)=O)C[C@H]1O 1090763834 MLTBFEBYQWEDOG-LSDHHAIUSA-N 315.373 -0.753 30 20 DBED CC(=O)NCC(=O)N[C@H]1CCN(c2ccncc2C#N)C[C@@H]1O 1092130855 XVDAGBAMSOCIEC-JSGCOSHPSA-N 317.349 -0.855 30 20 DBED Cn1ncnc1COCC(=O)NCCNc1cnc(C#N)cn1 1093838190 UYNDYIULCBKHOZ-UHFFFAOYSA-N 316.325 -0.778 30 20 DBED N#Cc1nc(=NCCNC(=O)[C@H]2CCCS(=O)(=O)C2)cc[nH]1 1093867460 WMFQPCQCELYBMJ-JTQLQIEISA-N 323.378 -0.877 30 20 DBED CO[C@@H](C(=O)NCCNc1cncc(C#N)n1)[C@H]1CCOC1 1094013078 XWBLNFZHNDLUEA-GXFFZTMASA-N 305.338 -0.072 30 20 DBED C#CCCN1CC(N2C[C@@H](NC(=O)c3ccon3)CC2=O)C1 1094709057 HSQDBDRJHYQENX-NSHDSACASA-N 302.334 -0.287 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)c3cn(C)nn3)CC2=O)C1 1094729837 LYANEGWVLHVRHU-JTQLQIEISA-N 304.354 -0.984 30 20 DBED CNC(=O)NCCC(=O)N1CC[C@@H](Nc2nccnc2C#N)C1 1095032952 WBMYCZBPBSAYDT-SNVBAGLBSA-N 317.353 -0.320 30 20 DBED N#Cc1ccc(N2CCC[C@@H](NC(=O)CNC(N)=O)C2)nc1 1096138462 VLVFZWYBGKKYPI-LLVKDONJSA-N 302.338 -0.293 30 20 DBED CNC(=O)NCC(=O)N[C@@H]1CCCN(c2ccc(C#N)cn2)C1 1096239116 AGIRTOPKTZEETC-GFCCVEGCSA-N 316.365 -0.033 30 20 DBED N#Cc1cnc(N[C@H]2C[C@@H](NC(=O)C(=O)NCC3CC3)C2)cn1 1097210406 LAIZUKSHQQTROZ-PHIMTYICSA-N 314.349 -0.066 30 20 DBED COCC#CCN1CC[C@H](NC(=O)Cn2cccn2)[C@H](O)C1 1099662755 CWKYOQURGDMFNF-UONOGXRCSA-N 306.366 -0.916 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CCN(Cc2cnnn2C)C[C@H]1O 1099821945 YMVSWDIVOGKTEX-ZIAGYGMSSA-N 305.382 -0.474 30 20 DBED Cc1nc(N(C)CCNC(=O)Cn2cnnc2O)ccc1C#N 1100030100 MOCQVHJTZDZRNH-UHFFFAOYSA-N 315.337 -0.189 30 20 DBED C#CCN1CC[C@H](NC(=O)C2(C(=O)N(C)C(C)C)CC2)[C@@H](O)C1 1100052968 HTYNWRQVMOFRDP-KBPBESRZSA-N 321.421 -0.182 30 20 DBED COCCCNC(=O)CNC1CC(CNC(=O)[C@H](C)C#N)C1 1100191553 OSYNVRQHIDULIX-PNESKVBLSA-N 310.398 -0.217 30 20 DBED CN(CCNc1ncc(C#N)cc1F)C(=O)Cn1cnnc1O 1101553091 AEKOHQYIJAXWCX-UHFFFAOYSA-N 319.300 -0.040 30 20 DBED COCC#CCN1C[C@@H](C)[C@H](CNC(=O)c2nnn(C)n2)C1 1102241114 FTNIYFZWPWRTQT-VXGBXAGGSA-N 306.370 -0.842 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1CNC(=O)[C@H]1CC[C@@H](C)O1 1102391643 XANIOQVKMNQIPN-AAVRWANBSA-N 322.409 -0.122 30 20 DBED COCC(=O)N(C)CCN1CCN(c2cnc(C#N)cn2)CC1 1102413807 BQKFJENAHUGJOP-UHFFFAOYSA-N 318.381 -0.425 30 20 DBED CCN(C(=O)CC(=O)NC)[C@@H]1CCN(c2cnc(C#N)cn2)C1 1102795440 FSZJRSNLZAORPC-GFCCVEGCSA-N 316.365 -0.088 30 20 DBED CCC(=O)NCC(=O)N1CCC[C@@H]1CN=c1cc[nH]c(C#N)n1 1103798391 BFAXDCIQQULTTE-LLVKDONJSA-N 316.365 -0.301 30 20 DBED C=CCCNCc1cn(C2CN(C(=O)Cn3ncnn3)C2)nn1 1105240510 PPJVCUUPATVDJV-UHFFFAOYSA-N 317.357 -0.986 30 20 DBED CN(CCN(C)c1ncccc1C#N)C(=O)Cn1cnnn1 1105344444 DXJWBXKFYQCVOJ-UHFFFAOYSA-N 300.326 -0.465 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@H](O)CNc1cc(COC)ncn1 1105806397 WHTRKOPOVQNYDS-WFASDCNBSA-N 324.381 -0.161 30 20 DBED C[C@H](C(=O)NC[C@H](O)CNc1ccc(C#N)nn1)n1cncn1 1105829319 QGBVSZHZJIOERZ-MWLCHTKSSA-N 316.325 -0.910 30 20 DBED CN1CC[C@@H](C(=O)NC[C@H](O)CNc2ccc(C#N)nc2)C1 1105853096 HELKIPGEBBETIF-BXUZGUMPSA-N 303.366 -0.206 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)[C@@H]2CCC(=O)N2)nc1 1105921671 GSWCCWDWULEEIZ-MNOVXSKESA-N 303.322 -0.879 30 20 DBED C[C@@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)c1cnc(O)n1C 1106519063 HWUGJXVCOLINMB-VIFPVBQESA-N 315.337 -0.170 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)Cn1cncn1 1106770533 QRMIFEGTXAFCDZ-UHFFFAOYSA-N 300.326 -0.678 30 20 DBED N#Cc1ccc(NC/C=C/CNC(=O)CN2CCOCC2)nn1 1107134178 UFYAFULJGOBCSA-OWOJBTEDSA-N 316.365 -0.235 30 20 DBED N#Cc1nccnc1NC/C=C/CNC(=O)[C@H]1CCNC1=O 1107452720 UADYBIJMQBKATI-TXXBHVLJSA-N 300.322 -0.431 30 20 DBED C#CCCN1CCO[C@](C)(CNC(=O)CCn2cncn2)C1 1107742992 FYABOOYETRVQPH-OAHLLOKOSA-N 305.382 -0.101 30 20 DBED C[C@@H](C(N)=O)N1CCO[C@@](C)(CNC(=O)c2ccc(C#N)[nH]2)C1 1107876403 JJTRUGIXZRRLTA-BONVTDFDSA-N 319.365 -0.419 30 20 DBED C#CCNC(=O)CC(=O)NC[C@]1(C)CN(CC2CC2)CCO1 1107884453 HSUVQODNQQGDTA-MRXNPFEDSA-N 307.394 -0.257 30 20 DBED C=CCN1CCO[C@@](C)(CNC(=O)[C@H](C)NS(C)(=O)=O)C1 1108241479 BTBMQBNFSGQZMS-AAEUAGOBSA-N 319.427 -0.683 30 20 DBED C=CCN1CCN(C(=O)CCOC)[C@@H]2CS(=O)(=O)C[C@@H]21 1108450925 YLWZRCLSVHAAGL-NWDGAFQWSA-N 302.396 -0.481 30 20 DBED C#CCCCCC(=O)N[C@H]1CC(=O)N(C2CN(CCCO)C2)C1 1108537651 RAMBQENRJFFZQG-AWEZNQCLSA-N 321.421 -0.036 30 20 DBED Cc1cc(C#N)nc(N(C)C[C@@H](C)NC(=O)[C@H]2CCC(=O)N2)n1 1108864039 WWPLOESDEPWJEI-ZYHUDNBSSA-N 316.365 -0.124 30 20 DBED N#Cc1nc(=NC[C@@H](NC(=O)C2(C(N)=O)CC2)C2CC2)cc[nH]1 1109963794 PGWYOTCCWSDUOB-SNVBAGLBSA-N 314.349 -0.658 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(N)=O 1111107304 OWYYCOACKWXYSY-MQYQWHSLSA-N 322.409 -0.336 30 20 DBED Cn1cnc(C(=O)N(CCO)CCN=c2cc[nH]cc2C#N)c1 1111455809 JBRNCEXLKMBDHU-UHFFFAOYSA-N 314.349 -0.345 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1COCCN1c1nccn2nnnc12 1111663313 SZMSLNROURAMEI-UWVGGRQHSA-N 316.325 -1.000 30 20 DBED C=CCOCCCC(=O)N1CCN(CC(=O)NCC#N)CC1 1112753961 CLAQCCZKUUCPOW-UHFFFAOYSA-N 308.382 -0.247 30 20 DBED C[C@H](NC(=O)Cn1ncnn1)[C@@H](C)Nc1ccc(C#N)cn1 1113192857 CETXBKCHJUTDOH-ZJUUUORDSA-N 300.326 -0.055 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)c2cn(C)c(O)n2)CC1 1113298013 RXOKWUABBXDTSN-NSHDSACASA-N 319.365 -0.979 30 20 DBED N#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)COCC3CC3)[C@H]2C1 1113927297 MSFUAWUFHROMQK-JYAVWHMHSA-N 306.366 -0.901 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1[C@@H]2CN(C[C@H](O)COC)C[C@@H]12 1114420341 FLOJEAHAICOOLA-YJNKXOJESA-N 321.421 -0.862 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)C3(COC)CCC3)[C@@H]2C1 1114584461 JLUPEOSIXGGDTP-CHWSQXEVSA-N 319.405 -0.401 30 20 DBED C=CCCCN1C[C@H]2[C@H](NC(=O)CN3CCC(=O)NC3=O)[C@H]2C1 1115083001 CFRPKOUQJGXJJC-JYAVWHMHSA-N 320.393 -0.059 30 20 DBED C#Cc1ccc(C(=O)NC2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]23)nc1 1115144338 VFTKQZNCLCAZTE-CHWSQXEVSA-N 323.356 -0.637 30 20 DBED C[C@@H]1CN(C(=O)C(=O)NCC#Cc2ccccc2)C[C@H](CO)O1 1116987015 ALOZLVXLBYTYLB-UKRRQHHQSA-N 316.357 -0.238 30 20 DBED Cn1nc(C(C)(C)C)cc1NC(=O)C(=O)NCC(=O)NCC#N 1117414315 BQTBLMKJTFJWHB-UHFFFAOYSA-N 320.353 -0.588 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CC[C@H](OCCOCC)C1 1117544608 OTURFDHKADEDHG-OLZOCXBDSA-N 314.382 -0.042 30 20 DBED C=CCN1CCC(NC(=O)C(=O)N(C)CCOCCN)CC1 1118925226 PRKCZQIZBCALMU-UHFFFAOYSA-N 312.414 -0.813 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H](CO)Nc1ncnc2[nH]cnc12 1122035933 JYBOWJUKSCKOEF-ZJUUUORDSA-N 318.337 -0.720 30 20 DBED Cc1nn[nH]c1C(=O)NC[C@H](CO)Nc1ccc(C#N)nc1 1122384695 FXNGOBFEDPXUGQ-LLVKDONJSA-N 301.310 -0.417 30 20 DBED Cc1cc(=NC[C@@H](O)CN(C)C(=O)[C@@H]2CCOC2)c(C#N)c[nH]1 1124140233 IVYBMMDIBPZXSP-TZMCWYRMSA-N 318.377 -0.049 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)c1oc(C)nc1C 1125207864 ANJKRPJMUDXMHM-UHFFFAOYSA-N 323.353 -0.377 30 20 DBED C#CCNCc1cccc(N2CC[C@@H](NC(=O)CC(N)=O)C2)n1 1128096450 JFRLLNSBTMLVCW-CYBMUJFWSA-N 315.377 -0.625 30 20 DBED C=CCCCN[C@@H]1CN(C(=O)CNC(C)=O)C[C@@H]1n1ccnn1 1129537284 QPMNRQCKALFMFQ-KGLIPLIRSA-N 320.397 -0.278 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCNC[C@@H]1CCc2ncnn21 1129770156 CGNGJRLMSVGPNK-KBPBESRZSA-N 316.409 -0.431 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H](n2ccnn2)[C@H](NCCC)C1 1129773946 DVRJWAOZTFQWLH-OLZOCXBDSA-N 318.381 -0.831 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)c2c(C)ncn2C)C1=O 1129963102 QKAFSIFTNKAEHB-GFCCVEGCSA-N 305.382 -0.165 30 20 DBED C#CCCN1CC[C@@H](c2n[nH]cc2CNC(=O)CNC(C)=O)C1 1130337995 OYNLTHCLLNJANN-CYBMUJFWSA-N 317.393 -0.025 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)[C@]1(C)CNC(=O)C1 1131681271 YNOUSTFBVVULKW-INIZCTEOSA-N 322.409 -0.581 30 20 DBED C[C@H]1CC[C@H](NC(=O)CC(C)(C)O)CN1CC(=O)NCC#N 1132009610 NOZSDHZXTXGYRO-RYUDHWBXSA-N 310.398 -0.244 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)c2cnc(O)n2C)C1=O 1132367203 RGNZKHFPIANRFM-SNVBAGLBSA-N 307.354 -0.768 30 20 DBED CCN(CC)CC(=O)N[C@H]1CC[C@@H](C)N(CC(=O)NCC#N)C1 1132375523 DTIOHAMTQAINPS-KGLIPLIRSA-N 323.441 -0.063 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](C)[C@H](CNCCCO)C1 1132769106 KICWYVJRSOEQPA-ZIAGYGMSSA-N 309.410 -0.418 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)CN1CCCC1=O 1133636036 BGWPFPJQYRJBMZ-STQMWFEESA-N 322.409 -0.769 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)C(C)(C)C(N)=O 1134658697 WQIJCUHLMNOMQZ-QWRGUYRKSA-N 310.398 -0.880 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NCCNCc1cnnn1CC 1134817456 XQVOXHCYDYFCCL-AWEZNQCLSA-N 322.413 -0.025 30 20 DBED C=CCCn1cc(C(=O)NCCNCC(=O)N(C)C2CC2)nn1 1135072128 OWWGNLFZWWCGBG-UHFFFAOYSA-N 320.397 -0.206 30 20 DBED C#CCOCCC(=O)N1CC2(CCN([C@@H]3CCCNC3=O)C2)C1 1147534300 CNQUZOMPZGQKIZ-CQSZACIVSA-N 319.405 -0.161 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)C[C@@H]1CCCCC(=O)N1 1149111989 IGFCIHXDAQVBTQ-STQMWFEESA-N 322.409 -0.721 30 20 DBED C#CCCN1CCCO[C@@H](CNC(=O)CCc2nc[nH]n2)C1 1149503914 CWYBPSBUZZCACX-ZDUSSCGKSA-N 305.382 -0.032 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H]1CN(CC(C)C)CCCO1 1149601946 XASDXIZWKOFRIY-AWEZNQCLSA-N 309.410 -0.011 30 20 DBED CNC(=O)[C@@H](C)N1CCCO[C@@H](CNC(=O)C#CC2CC2)C1 1149694022 GQTIKEYODUQBMC-OCCSQVGLSA-N 307.394 -0.259 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)COCc2nncn2C)C1 1150542307 XXQKBHMKGJTYNB-ZDUSSCGKSA-N 321.381 -0.828 30 20 DBED CC(C)[C@H](C(=O)NCCNCC(=O)NCC#N)N1CCCC1 1152473583 WWFGJCZUXWPMOJ-CQSZACIVSA-N 309.414 -0.548 30 20 DBED C=CCCOCC(=O)NCCNCC(=O)Nc1cnccn1 1153081392 QTELYPQLMMYGBD-UHFFFAOYSA-N 307.354 -0.286 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)[C@@]1(C)CCOC1 1156036238 OKWARATVQWKLJI-CJNGLKHVSA-N 309.410 -0.011 30 20 DBED N#Cc1ccc(C(=O)NCCCNCCN2CCNC2=O)[nH]1 1156690711 FPFJYDYCNCYBDP-UHFFFAOYSA-N 304.354 -0.379 30 20 DBED C#CCNC(=O)CNCCCNC(=O)C[C@@H](C)n1cccn1 1170578619 DXHACBALRFFYFC-CYBMUJFWSA-N 305.382 -0.321 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](NCCS(C)(=O)=O)C1 1185758365 BASCPKVFMXXNGJ-UPJWGTAASA-N 316.423 -0.187 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)Cc2nonc2C)C1 1186703688 POYAAKYNSPGLIK-NWDGAFQWSA-N 321.381 -0.198 30 20 DBED COCC#CCN1C[C@@H]2CCN(C(=O)C3CN(C(C)=O)C3)[C@@H]2C1 1187661499 UPGZSOIGWMTGFE-GOEBONIOSA-N 319.405 -0.353 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)[C@H]3CC3(F)F)[C@@H]2C1 1187772271 UWTPEJNZHHAEOU-QJPTWQEYSA-N 311.332 -0.076 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)Cn2cc(C)cn2)C1 1189122739 NBMUDBJJLORTJE-AWEZNQCLSA-N 317.393 -0.526 30 20 DBED C=CCOCCN(C)[C@H]1CCN(C(=O)[C@@H]2CN(C)C(=O)N2)C1 1191721607 YUJKCHBATJSPCC-STQMWFEESA-N 310.398 -0.255 30 20 DBED Cc1nnc(CN2C[C@@H](O)[C@H](NC(=O)[C@@H](C)C#N)C2)n1C1CC1 1191855007 UJZIFSJHDXTBEQ-ZWKOPEQDSA-N 318.381 -0.258 30 20 DBED CCc1nc(C(=O)N[C@@H]2CN(CC#CCOC)C[C@H]2O)co1 1192328869 OFGZQPHXRWZHNB-DGCLKSJQSA-N 307.350 -0.338 30 20 DBED COCC#CCN(C)[C@H]1CCN(C(=O)c2cn(C)c(=O)n2C)C1 1194306286 UHCJUULDWXTAFT-ZDUSSCGKSA-N 320.393 -0.480 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(CCOCCO)C[C@H]2O)cc1 1195204285 ANEWWBUVUNUAAB-HZPDHXFCSA-N 318.373 -0.548 30 20 DBED N#CCNC(=O)CN1CCCN(C(=O)Cc2cncs2)CC1 1196223380 RLKWPZRCGJFCSM-UHFFFAOYSA-N 321.406 -0.140 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)C(=O)NCc2ccc(F)cc2)C1 1196773260 MVSFLBVJWBMHFG-ZIAGYGMSSA-N 319.336 -0.764 30 20 DBED COCC#CCNC1CCN(C(=O)[C@H]2CN(C)CCO2)CC1 1199943171 FPSLYROQHMOWQQ-OAHLLOKOSA-N 309.410 -0.453 30 20 DBED CNC(=O)CNC[C@H]1CN(C(=O)C#CC(C)(C)C)CCCO1 1200469160 DRRGWJASNDFWBS-ZDUSSCGKSA-N 309.410 -0.011 30 20 DBED C#CCO[C@H](C)C(=O)N1CCCO[C@H](CNCc2cnon2)C1 1200478589 KEORNEYIKQHSFO-TZMCWYRMSA-N 322.365 -0.185 30 20 DBED CN(C)c1cnc(C(=O)N2CCCO[C@H](CNCC#N)C2)cn1 1200509973 JPFHSKGPZHLEIY-GFCCVEGCSA-N 318.381 -0.113 30 20 DBED CC#CCNC1CCN(C(=O)CN(C)S(C)(=O)=O)CC1 1200878291 LDAOYTNNGOWKMM-UHFFFAOYSA-N 301.412 -0.518 30 20 DBED C=CCNC[C@H]1CN(C(=O)CCN2C(=O)CCC2=O)CCCO1 1200910839 IVSVSMPQIMGCPG-ZDUSSCGKSA-N 323.393 -0.081 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC(CNCC(=O)NCC#N)CC1 1205248043 GRISWRKJWLHUSB-CYBMUJFWSA-N 320.393 -0.507 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)CNC(C)=O)[C@H](C)C1 1205756125 BAHPAPHNNZNMQH-NTZNESFSSA-N 310.398 -0.750 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN([C@H]2CCC(=O)NC2=O)C[C@H]1C 1206960044 PSQRDVGTUNVZIS-UPJWGTAASA-N 321.377 -0.732 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC[C@@H](NCC(=O)N2CCC2)C1 1208014212 NNXWLMXKOIDAIN-UONOGXRCSA-N 307.394 -0.162 30 20 DBED CCS(=O)(=O)CC(=O)N[C@@H]1CN(CC#CCOC)C[C@H]1C 1211353180 RUKCROKERZLMPR-CHWSQXEVSA-N 316.423 -0.493 30 20 DBED CO[C@@H]1CN(CCn2cccn2)C[C@H]1NC(=O)CSCC#N 1211886726 VWGBTMYLNZHZGE-CHWSQXEVSA-N 323.422 -0.045 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)COCCOC)C[C@H]1C 1214351874 HISFVEGIONKAIA-CHWSQXEVSA-N 313.398 -0.612 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)Cn2nccc2C)C[C@H]1C 1215710032 OEQIYVNJXPYJQM-TZMCWYRMSA-N 317.393 -0.623 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H](C)NC(=O)CC 1217966481 RNRMBLASOXNSSU-HZSPNIEDSA-N 307.394 -0.164 30 20 DBED N#CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3cncnc3)[C@@H]2C1 1221493822 IWCXLTGRZSZZQH-DGCLKSJQSA-N 314.349 -0.737 30 20 DBED COCC#CCN1CC[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)C[C@@H]21 1223377937 AXTUWZPVYPDBEC-RDBSUJKOSA-N 320.393 -0.760 30 20 DBED C#CCCN1CCC(CNC(=O)CN2CCN(C)C(=O)C2)CC1 1223686570 FYJPXMDMJVWATO-UHFFFAOYSA-N 320.437 -0.388 30 20 DBED C#CCCN1CCS(=O)(=O)[C@@H](CCNC(=O)COC)C1 1230396808 TYFVVSGWEUSGAM-LBPRGKRZSA-N 302.396 -0.739 30 20 DBED COCCOC[C@H]1CCN(C(=O)NCCn2cnc(C#N)n2)C1 1323388566 OBJMNDNLLQWQAD-LBPRGKRZSA-N 322.369 -0.156 30 20 DBED CO[C@@]1(CNC(=O)C(=O)Nc2cccc(C#N)n2)CCOC1 1326036891 BMFBNICUONNMAD-CQSZACIVSA-N 304.306 -0.187 30 20 DBED N#CCCC[C@H](N)C(=O)N1CCCC[C@H]1CNC(=O)CCN 1326312788 GINGFXITACQWKC-STQMWFEESA-N 309.414 -0.146 30 20 DBED C#CCSCCNC(=O)C(=O)N(C)CC(=O)N1CCCC1 1328072978 JSLQWTVMTINIBN-UHFFFAOYSA-N 311.407 -0.450 30 20 DBED C=CCN(C(=O)C(=O)N1CC[C@@H](NC(N)=O)C1)[C@H](C)COC 1329751155 VHDLMJXPMCCVNZ-GHMZBOCLSA-N 312.370 -0.695 30 20 DBED CN(CC1(C)COC1)C(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1329830477 DDFBZWPIDVZWQH-CYBMUJFWSA-N 320.393 -0.320 30 20 DBED C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)CO1 1330427156 VSRZEJTUWCXXJR-NTZNESFSSA-N 306.366 -0.521 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)NCCOCCF)CCN1C1CC1 1331056512 DOCSOGYXSUKKSG-GFCCVEGCSA-N 312.345 -0.713 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N(C)CC2(C)COC2)C1=O 1331613724 OMMYLSKAZICTHA-LBPRGKRZSA-N 323.393 -0.273 30 20 DBED C#CCNC(=O)C1CCN(C(=O)c2ccc(C(N)=O)[nH]2)CC1 1334683727 DFELTPCSQZJHJA-UHFFFAOYSA-N 302.334 -0.285 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N1CCC(C(=O)NOC)CC1 1336466333 NAMBUGVSMSTXFH-NSHDSACASA-N 313.354 -0.780 30 20 DBED C#CCN1CCN(c2nnc(C3(O)CC3)n2CCOC)CC1 1342169391 RZAIIJZWDYIUAD-UHFFFAOYSA-N 305.382 -0.339 30 20 DBED COC(=O)[C@@H]1CN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)C[C@H]1C 1345979272 HWGPJXJTYRTTTC-UEKVPHQBSA-N 323.349 -0.869 30 20 DBED CNC(=O)[C@H]1CCCN(C(=O)C(=O)NCC2(CC#N)CC2)C1 1347565863 MWRIMCSBJMERMS-NSHDSACASA-N 306.366 -0.219 30 20 DBED Cn1c(O)nc(N2CC[C@H](NC(=O)C3(C#N)CCC3)C2)cc1=O 1363015099 YWUYEPYUSPOPLR-JTQLQIEISA-N 317.349 -0.125 30 20 DBED CC(=O)NCC(=O)NC[C@H]1CCCN1C(=O)c1cc(C#N)c[nH]1 1375477407 WEFGMUQSMJMRCY-GFCCVEGCSA-N 317.349 -0.257 30 20 DBED CCN(CCC#N)C(=O)CN(C)CCNC(=O)c1cnccn1 1377122459 QOJDQCHCIOJKBD-UHFFFAOYSA-N 318.381 -0.100 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](C1CC1)N(C)C(=O)c1ncn(C)n1 1381719745 DJJZAONQTZPICH-ONGXEEELSA-N 304.354 -0.058 30 20 DBED Cc1nc(C)c(C(=O)N(C)C[C@H](O)CNC(=O)[C@@H](C)C#N)[nH]1 1384273829 KANMVBHUXXBHDM-GZMMTYOYSA-N 307.354 -0.265 30 20 DBED CC[C@H](CNC(=O)c1cc(=O)n(C)cn1)NC(=O)[C@@H](C)C#N 1388117308 ZJRGFHUEFGKOER-VHSXEESVSA-N 305.338 -0.435 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1cc2ncccn2n1 1389119462 FNQZRPYXPQLROB-NXEZZACHSA-N 316.321 -0.904 30 20 DBED N#Cc1ccc(CN2CC(CNC(=O)Cn3cnnn3)C2)cc1 1400474865 CQIDBLBMNLRIGY-UHFFFAOYSA-N 311.349 -0.207 30 20 DBED C=C(Br)CN1CC(O)(CNC(=O)c2cnn[nH]2)C1 1402346391 RDWJMLURVMYRLS-UHFFFAOYSA-N 316.159 -0.510 30 20 DBED CC[C@@H](NC(=O)CCn1cc(C#N)c(O)nc1=O)C(C)(C)O 1413024576 FLLGOEOPEGUUKU-SNVBAGLBSA-N 308.338 -0.124 30 20 DBED CC[C@@H](NS(=O)(=O)N1CCO[C@@H](C#N)C1)c1noc(C)n1 1413379906 PBNQGWUDRXRUON-VHSXEESVSA-N 315.355 -0.112 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CCN(C(=O)c2cnn(C)c2N)C1 1415302757 QONMGTKBHZXPNF-NXEZZACHSA-N 304.354 -0.260 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CCCN(C(=O)CCN2CCOCC2)C1 1415960670 KWPOGDVXONQJOZ-KBPBESRZSA-N 322.409 -0.024 30 20 DBED Cn1[nH]cnc1=NC(=O)N1CCN(c2ccc(C#N)nc2)CC1 1425455434 NJZCGDNPGGFTFN-UHFFFAOYSA-N 312.337 -0.142 30 20 DBED C[C@H](C#N)C(=O)N[C@H](CNC(=O)c1ccc(=O)n(C)n1)C1CC1 1428008229 OEOBSKZGGGYRLQ-BXKDBHETSA-N 317.349 -0.435 30 20 DBED C[C@@H](C(=O)NC1CCN(C(=O)[C@H](C)C#N)CC1)S(C)(=O)=O 1429681574 FYHXVNBIOKADLV-ZJUUUORDSA-N 315.395 -0.314 30 20 DBED Cc1c(C(=O)NC[C@]2(O)CCN(C(=O)[C@@H](C)C#N)C2)cnn1C 1454071484 YJAYHJQQKQIUPO-ZUZCIYMTSA-N 319.365 -0.419 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCN(C)C(=O)[C@H]1CCc2nncn2C1 1457800895 YBPTWWFWUZXDFA-RYUDHWBXSA-N 318.381 -0.083 30 20 DBED CC[C@@H](C)NC(=O)CCNC(=O)Cn1cc(C#N)c(O)nc1=O 1464369465 VGVCDZBRJKVKIT-SECBINFHSA-N 321.337 -0.758 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)C2CCN(C)CC2)C1 1480619753 WHDXIUVKQNHAGH-ZFWWWQNUSA-N 320.437 -0.343 30 20 DBED C[C@H](C#N)C(=O)NC1CCN(C(=O)[C@H]2CCC(=O)NC2)CC1 1492105959 GLWSXPIYSJBNQL-MNOVXSKESA-N 306.366 -0.221 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)CCc2cncnc2)C1 1567100323 VCNFPGDKVSEZJO-AWEZNQCLSA-N 315.377 -0.651 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@@H](N)CCCC=C)CC1 1574706813 IDMLEUOMEHUPLQ-AWEZNQCLSA-N 306.410 -0.436 30 20 DBED COC[C@@]1(C)CN(c2cnc(C#N)c(-c3nn[nH]n3)n2)CCO1 1579740791 VQVKQWXWTBZDEB-CYBMUJFWSA-N 316.325 -0.230 30 20 DBED Cc1nc(-c2nn[nH]n2)c(C#N)n1CC1CN(S(C)(=O)=O)C1 1581410289 AZGUJZYIGNCJOZ-UHFFFAOYSA-N 322.354 -0.865 30 20 DBED C[C@@H](C(=O)NCc1ccc(-c2nn[nH]n2)cn1)n1cnc(C#N)n1 1588998747 UTNPJOQAIUHTPV-QMMMGPOBSA-N 324.308 -0.398 30 20 DBED C[C@@H]1C[C@@H](C(=O)O)CN(C(=O)C(=O)N2CCO[C@H](C#N)C2)C1 1589266351 RKVCDSXMLJSHAW-GMTAPVOTSA-N 309.322 -0.693 30 20 DBED COC(=O)CNC(=O)[C@H](C#N)Cc1ccc(-c2nn[nH]n2)cc1 1591267924 NJPPGZNEDDFBMR-NSHDSACASA-N 314.305 -0.162 30 20 DBED N#Cc1nc(NC(=O)[C@@H]2C[C@@]23CCOC3)[nH]c1-c1nn[nH]n1 1592683718 XRPNFNOHNRHXNC-PWCHPLFNSA-N 300.282 -0.173 30 20 DBED N#CCNC(=O)CNS(=O)(=O)CC1(C(=O)O)CCCCC1 1601074833 SIEKNGVERKQHQG-UHFFFAOYSA-N 317.367 -0.419 30 20 DBED C#C[C@H](NC(=O)C(=O)Nc1ccn(CC(=O)O)n1)[C@@H]1CCCO1 1602672573 OFJKAUPLCAZEEW-UWVGGRQHSA-N 320.305 -0.797 30 20 DBED C=CCOC[C@H](NC(=O)/C=C1\SCC(=O)N1C)C(=O)O 1602909814 IFAUGBFKEUBNNR-SDZLHINSSA-N 300.336 -0.195 30 20 DBED CO[C@@H](Cn1c(=O)c(C#N)cn(CC(=O)O)c1=O)[C@@H]1CCOC1 1604480910 PWNDDJIOKKADCO-KOLCDFICSA-N 323.305 -0.982 30 20 DBED C=CCOC[C@H](NC(=O)CNC(=O)c1cccc(O)c1)C(=O)O 1609432087 COPUELVDDHKBHI-LBPRGKRZSA-N 322.317 -0.106 30 20 DBED COC(=O)[C@H](Cn1ccnc1)NC(=O)[C@H](C)n1cnc(C#N)n1 1645779617 IODNJEWIPVGXFQ-UWVGGRQHSA-N 317.309 -0.735 30 20 DBED CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)NCc1ccc(C#N)cn1 1649887851 TZWSJLMAGFKMNF-RYUDHWBXSA-N 324.362 -0.436 30 20 DBED C[C@H]1C[C@H](C(=O)N[C@H]2C[C@H](NCC(=O)NCC#N)C2)CCO1 1752672175 AUHRVULBQSPXLW-RNJOBUHISA-N 308.382 -0.322 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NCCN(C)[C@H]1CCCNC1=O 1753066935 UOULWOKBSBNQQM-KBPBESRZSA-N 324.425 -0.216 30 20 DBED C=CCNC(=O)CN1CC(NC(=O)[C@H](C)Cc2cnn(C)c2)C1 1753390178 QCJQJEIMRBMYQF-GFCCVEGCSA-N 319.409 -0.299 30 20 DBED C#CCNC(=O)CN[C@H](CC)CNC(=O)c1cnc(C)nc1C 1753490956 JLSBBOALPQSXQW-CYBMUJFWSA-N 317.393 -0.059 30 20 DBED C#CCNC(=O)CN1C[C@H]2C[C@H]1[C@H]2NC(=O)c1cc(C)on1 1754419633 UAURYCDZUSAOGL-OSMZGAPFSA-N 302.334 -0.465 30 20 DBED N#CCNC(=O)CNC[C@@H](NC(=O)c1cc[n+]([O-])cc1)C1CC1 1754436389 QOXKLHIAVMEQGG-CYBMUJFWSA-N 317.349 -0.942 30 20 DBED C#CCNC(=O)CNC[C@@H](NC(=O)c1nn(C)cc1C)C1CC1 1754438729 FDKRTHMASWVNKD-CYBMUJFWSA-N 317.393 -0.424 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CNC(=O)Cc1cncs1 1754486605 QZKUBKLHTIDXGY-LLVKDONJSA-N 306.391 -0.375 30 20 DBED C#CCN1CC[C@@H](N2CCN(C(=O)C[C@H](C)NC(N)=O)CC2)C1 1754662667 DIWHWLSYFPASHK-UONOGXRCSA-N 321.425 -0.715 30 20 DBED CCC1(NCC#N)CCN(C(=O)CC[C@H]2NC(=O)NC2=O)CC1 1755073317 PBOXYHOBKUTGDQ-LLVKDONJSA-N 321.381 -0.141 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC(CO)(NC(=O)C2CC2)CC1 1755176034 QVTPGKBQAACPLI-GFCCVEGCSA-N 307.394 -0.523 30 20 DBED C=CCCN1CC(CCO)(NC(=O)Cn2ccc(O)nc2=O)C1 1755333945 PCLACEUTEORLHW-UHFFFAOYSA-N 322.365 -0.922 30 20 DBED C#CCCN[C@H](C)[C@@H]1CN(C(=O)CCNC(=O)NC)CCO1 1755441339 DXXDUEYJNUOOJU-OLZOCXBDSA-N 310.398 -0.466 30 20 DBED Cc1cncn1CC(=O)N1C[C@@H](NCC(=O)NCC#N)C[C@@H]1C 1755684407 KFTDWMJFLZVVFX-AAEUAGOBSA-N 318.381 -0.590 30 20 DBED Cc1nn[nH]c1C(=O)N1C[C@@H](NCC(=O)NCC#N)C(C)(C)C1 1755760440 MSOCPWSGPUIGDC-SNVBAGLBSA-N 319.369 -0.807 30 20 DBED C=C(C)CCNC[C@@H](O)CN(C)C(=O)[C@H]1CCCS1(=O)=O 1755796361 PICKNWXXAQUMSL-CHWSQXEVSA-N 318.439 -0.061 30 20 DBED C#CCNC(=O)CNC1CC(N(C)C(=O)C[C@](C)(O)C=C)C1 1755856318 UEZQJBWKONOYMP-SEEARECTSA-N 307.394 -0.358 30 20 DBED C[C@H](NC(=O)CCn1cncn1)[C@H](C)NC(=O)CSCC#N 1755951127 JVKIZMDIPWIKMS-QWRGUYRKSA-N 324.410 -0.066 30 20 DBED CC(C)C#CC(=O)NC1(CCO)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1756082139 RDONEULTDKZNJN-VXGBXAGGSA-N 323.349 -0.609 30 20 DBED C#Cc1cncc(C(=O)N(C)[C@H](CNC(=O)C(N)=O)C2CC2)c1 1756422564 DVGZSIXPKONPMB-CYBMUJFWSA-N 314.345 -0.485 30 20 DBED CO[C@@H]1CN(C(=O)[C@H](C)NC(C)=O)C[C@H]1NC(=O)C#CC1CC1 1757127719 MZKSUHNJCQDOJO-ZLKJLUDKSA-N 321.377 -0.734 30 20 DBED C=CCCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C)C2)C[C@@H]1O 1757161229 UOVIUDJCNAVJDF-UTUOFQBUSA-N 309.366 -0.881 30 20 DBED Cn1nc(C(=O)O)cc1C=NN[C@@H]1CCCS(=O)(=O)C1 1776093116 ZLYILKLGRLQZPU-MRVPVSSYSA-N 300.340 -0.381 30 20 DBED CC(C)CC(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783561206 KBRLEBBWOIOTER-MRXNPFEDSA-N 322.361 -0.050 30 20 DBED N#CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](N)CN)[nH]n1 1816743624 GFNXORNLGOFWCE-ONGXEEELSA-N 319.369 -0.399 30 20 DBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)C3=COCC3)C2)C1 1839811165 KJBLTZMUZALMDG-INIZCTEOSA-N 320.345 -0.620 30 20 DBED C[C@H](C(=O)N1CCCC12CN(C(=O)CCC#N)C2)n1cnnn1 1846644918 DHVVJQHGNNEHFA-LLVKDONJSA-N 317.353 -0.259 30 20 DBED C#CCOCCC(=O)NCCN1CCN(c2ncccn2)CC1 120550613 KNEBOTOKEYCBRE-UHFFFAOYSA-N 317.393 -0.245 30 20 DBED C#CCOc1cccc(NC(=O)C(=O)NC[C@H](O)COC)c1 265402133 UFJLXSHPMYPFKT-LBPRGKRZSA-N 306.318 -0.239 30 20 DBED COC(=O)CN(CCN1CCOCC1)C(=O)c1cc(C#N)c[nH]1 267199472 QLJBXAJQLGLZAD-UHFFFAOYSA-N 320.349 -0.166 30 20 DBED Cc1cccc(S(=O)(=O)N2CCO[C@@H](C(N)=O)C2)c1C#N 269736925 LPICRGQXQQYPQM-LLVKDONJSA-N 309.347 -0.259 30 20 DBED C#CCN(CC#N)C(=O)[C@H]1CC[C@H](C(=O)N(CC#C)CC#N)O1 281936381 INLDLIALWFWKPI-ZIAGYGMSSA-N 312.329 -0.495 30 20 DBED COCCNC(=O)CN1CCN(c2ccnc(C#N)c2)CC1 283602921 QWRXNRQKFRIFQS-UHFFFAOYSA-N 303.366 -0.162 30 20 DBED CCS(=O)(=O)NCCNS(=O)(=O)c1ccc(C#N)o1 286510833 FAZHWHRHKDYIKO-UHFFFAOYSA-N 307.353 -0.631 30 20 DBED CO/N=C/C(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F 286613760 YJZURHYLAJMYCF-YZXZPUIHSA-N 305.278 -0.443 30 20 DBED C=CCCOCCNC(=O)C(=O)N1CCC[C@H](CC(N)=O)C1 289466580 VSJSOSSDSPIVSS-GFCCVEGCSA-N 311.382 -0.191 30 20 DBED Cc1nc([C@@H]2CN(/C(O)=N/[C@@H]3CC(=O)N(C)C3)CCO2)no1 329505410 LHMBMKMPWOPKRY-ZJUUUORDSA-N 309.326 -0.104 30 20 DBED C[C@H]1CS(=O)(=O)C[C@H]1N/C(O)=N/CCN1CCSCC1 329647150 JCPREHLDAMVLFE-WDEREUQCSA-N 321.468 -0.028 30 20 DBED COCCN(CCC#N)S(=O)(=O)N(C)CCOCCO 337344788 UIRZGXVAEMQERT-UHFFFAOYSA-N 309.388 -0.966 30 20 DBED N#CCNC(=O)CNC(=O)N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1 346280386 VVZQEMFECYMGCI-NEPJUHHUSA-N 321.381 -0.284 30 20 DBED CC(C)N(C)C[C@@H](C)NS(=O)(=O)N1CCO[C@H](C#N)C1 349785920 WDMZDWLAKOIVRC-VXGBXAGGSA-N 304.416 -0.226 30 20 DBED COC(=O)[C@H]1CCCC[C@H]1S(=O)(=O)NCC(=O)NCC#N 352533726 VGASKSQPWPHXOK-VHSXEESVSA-N 317.367 -0.723 30 20 DBED COC(=O)C[C@@]1(NS(=O)(=O)CC2(C#N)CC2)CCOC1 361971800 DWXJORASPQQAEB-LBPRGKRZSA-N 302.352 -0.068 30 20 DBED CN(CCC#N)C[C@@H](O)Cn1nnn(-c2ccccc2)c1=O 414100939 BIGUTBSKWZVOFO-CYBMUJFWSA-N 302.338 -0.365 30 20 DBED C#CCN(CC)C(=O)CCNS(=O)(=O)c1cn(C)c(C)n1 490605616 RYOUVVITJDWVLP-UHFFFAOYSA-N 312.395 -0.121 30 20 DBED N#Cc1cc(F)ccc1CS(=O)(=O)N[C@@H]1COC[C@H]1O 518564093 GVAALYOXLHPHTN-VXGBXAGGSA-N 300.311 -0.124 30 20 DBED COCCNS(=O)(=O)c1c[nH]c(C(=O)NC2(C#N)CC2)c1 524794739 WKQUXURZSWWLHI-UHFFFAOYSA-N 312.351 -0.275 30 20 DBED Cn1[nH]cnc1=NC(=O)N1CCN(c2cnccc2C#N)CC1 555792537 XGOSFNGGTXYKRI-UHFFFAOYSA-N 312.337 -0.142 30 20 DBED COC(=O)[C@@H]1CNC(=O)CN1Cc1ccc(C#N)cc1[N+](=O)[O-] 567994464 MZRQRCUXZSIHBO-LBPRGKRZSA-N 318.289 -0.060 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N[C@H](C(=O)O)c1ccnn1C 576636779 JPBXTLWHIDYFKH-WPRPVWTQSA-N 315.355 -0.528 30 20 DBED CS(=O)(=O)N1CC[C@H](Nc2nc3c(cc2C#N)COCC3)C1 578993354 UDCYQIGUFDRFDT-LBPRGKRZSA-N 322.390 0.472 30 20 DBED COC(=O)[C@H]1C[C@@H](O)CN(C(=O)CNc2ccc(C#N)cn2)C1 592934790 DKNZYSDMIHOCAE-NWDGAFQWSA-N 318.333 -0.252 30 20 DBED CN(C)S(=O)(=O)NCC(=O)N(CCC#N)Cc1ccco1 597024909 QTDUTAKLWRNWDU-UHFFFAOYSA-N 314.367 -0.082 30 20 DBED COC(=O)C[C@@H](O)CNS(=O)(=O)c1ccc(C#N)cc1F 599462375 NOKDZCJJYUQZOA-SECBINFHSA-N 316.310 -0.100 30 20 DBED C[C@@H](O)[C@H]1CCN(C(=O)C(=O)N2CCN(CCC#N)CC2)C1 601460118 NFGZAAMGXVKFHA-OLZOCXBDSA-N 308.382 -0.726 30 20 DBED Cc1c(NC(=O)C(=O)N2CCN(CCC#N)CC2)cnn1C 602078939 ZSNPCQCLGJIZHB-UHFFFAOYSA-N 304.354 -0.275 30 20 DBED COCC(=O)NC1CCN([C@H](C)C(=O)N(C)CCC#N)CC1 603681697 AONCSHBDCQGCAR-GFCCVEGCSA-N 310.398 -0.026 30 20 DBED COCCCS(=O)(=O)NCC(=O)N[C@H](C#N)CC(C)C 610905526 JDSLAOXITIPBJM-NSHDSACASA-N 305.400 -0.003 30 20 DBED C=C[C@@H](NCc1ccc(C(=O)NCC(N)=O)cc1)C(=O)OC 619700263 QNPNJGJIMDFYJP-GFCCVEGCSA-N 305.334 -0.281 30 20 DBED C=C[C@@H](O)C(=O)NCCCN1CCN(c2ncccn2)CC1 646632521 WVSGQSLBKCEWPS-CYBMUJFWSA-N 305.382 -0.348 30 20 DBED C#CCC[C@H](O)CNC(=O)[C@H]1CCCCN1S(C)(=O)=O 717926752 FEXSPCLEMWQJCA-NWDGAFQWSA-N 302.396 -0.309 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cnn(CC#N)c2)C1=O 729351775 FWTJVTIMKZRHHY-UHFFFAOYSA-N 316.277 -0.678 30 20 DBED Cn1cc(C=NNC2=N[C@H]3CCCC[C@@H]3N2)c(=O)n(C)c1=O 753937684 FRXCJASDBPFOFI-QWRGUYRKSA-N 304.354 -0.722 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1coc(C(N)=O)c1 759781453 QDTAELMFVRKFNY-ZETCQYMHSA-N 309.278 -0.064 30 20 DBED C#C[C@H](NC(=O)C(=O)Nc1c(C)ccn(C)c1=O)[C@H]1CCCO1 773784329 FUGCIRYZQRHOOE-NWDGAFQWSA-N 317.345 -0.071 30 20 DBED C=CCNC(=O)CNS(=O)(=O)c1cccc2c1COC2=O 776884400 HFYLRWUMSDYPFX-UHFFFAOYSA-N 310.331 -0.063 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C[C@@H]1SC(=N)NC1=O 783618037 JIRLTJBCNAVMRE-ZETCQYMHSA-N 305.381 -0.740 30 20 DBED C#CCNC(=O)COC(=O)c1ccc2c(c1)NC(=O)CNC2=O 814522448 VEPXDGPTPOIASG-UHFFFAOYSA-N 315.285 -0.725 30 20 DBED C#CC[C@H](CO)NC(=O)CNS(=O)(=O)c1cccs1 820065380 ZHBJEGZAUNQGRC-SECBINFHSA-N 302.377 -0.473 30 20 DBED CC[C@H](N)CNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 834827881 XPFFGQDBIBYWKW-VIFPVBQESA-N 310.379 -0.421 30 20 DBED C#CCO[C@H](C)C(=O)N1CCN(S(=O)(=O)NC(C)C)CC1 837699597 NRGBUIHHMBNBAH-GFCCVEGCSA-N 317.411 -0.588 30 20 DBED C#C[C@H](NC(=O)N[C@H]1CS(=O)(=O)C[C@H]1C)[C@H]1CCCO1 884275923 ZYSHLVFNQVRCQM-NOOOWODRSA-N 300.380 -0.101 30 20 DBED C#CC1(O)CN(C(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)C1 890520387 WSVJXCUBWKEVPH-VXGBXAGGSA-N 304.346 -0.242 30 20 DBED C#CC[C@@H](CO)NC(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O 920631929 OPSQCHCBLCCDFL-RYUDHWBXSA-N 319.365 -0.401 30 20 DBED C#CCN1CCC[C@@H](NC(=O)[C@H](CCC)S(N)(=O)=O)C1 923559511 HBEYETURJVZNEC-NEPJUHHUSA-N 301.412 -0.343 30 20 DBED C#CCN1CCC[C@@H](NC(=O)CN(C)CC(=O)NC(C)C)C1 923584095 RMGYWEUATZWCLX-CQSZACIVSA-N 308.426 -0.343 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2CC[C@H](CCN)C2)C1=O 926357355 ONVJREFFFACGGG-QWHCGFSZSA-N 322.409 -0.571 30 20 DBED C[C@H](C#N)C(=O)N1CCCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 942153448 ZWXWYMSKCSIBAN-GRYCIOLGSA-N 322.365 -0.760 30 20 DBED C#CCN1CC[C@@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)[C@H](C)C1 943986850 HEPFHXDZFNKVGW-VXGBXAGGSA-N 320.393 -0.223 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CN2CCC(=O)NC2=O)[C@H](C)C1 944032403 GWFZNAKZDIIXLO-CHWSQXEVSA-N 320.393 -0.222 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)C2=COCCO2)C1 944457827 SHLHQYUNLWOECT-MNOVXSKESA-N 309.322 -0.622 30 20 DBED CN1CCOC[C@H]1C(=O)NC1CCN(C(=O)C#CC2CC2)CC1 946689951 BWYJLRGAAVVVJA-HNNXBMFYSA-N 319.405 -0.162 30 20 DBED N#CCN1CCOC2(CCN(C(=O)C[C@@H]3CCNC3=O)CC2)C1 949386095 RCDQYLKPFOQKHR-ZDUSSCGKSA-N 320.393 -0.270 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1cnnn1C 952173198 OSTUXLKHOGUHFQ-LOWVWBTDSA-N 319.365 -0.263 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@H]3CCN(C(=O)C(N)=O)C[C@@H]32)c1 953453768 YIKWVYRSRQQFBP-PWSUYJOCSA-N 315.333 -0.565 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H]1CNC(=O)c1cn(C)c(=O)cn1 956189223 RYUPHHDQEOMPSQ-QWRGUYRKSA-N 317.349 -0.339 30 20 DBED CC1(NC(=O)c2c[nH]c(C#N)c2)CCN(C(=O)C(N)=O)CC1 956347071 ULXWRLMMBMLYHO-UHFFFAOYSA-N 303.322 -0.517 30 20 DBED C[C@H](C#N)C(=O)N1CCC(C)(NC(=O)[C@@H]2CN(C)C(=O)N2)CC1 956446055 PVZTWUNUWXCHRW-MNOVXSKESA-N 321.381 -0.333 30 20 DBED CNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)c3c[nH]c(C#N)c3)[C@H]2C1 958619018 YQRIJDGJEXIVIZ-HWNAMQAFSA-N 301.350 -0.319 30 20 DBED CN(C(=O)c1ncc[nH]1)[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 958841717 URZJMKGGFJIYDY-RYUDHWBXSA-N 302.334 -0.533 30 20 DBED C=CCn1cccc1C(=O)NC[C@H]1CN(C(=O)C(N)=O)C[C@@H]1C 959573972 VQUPJTHVUQNGND-RYUDHWBXSA-N 318.377 -0.016 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)CCn3cncn3)C[C@@H]2C1 961018052 GVDQMZIMVJYBBN-UPJWGTAASA-N 316.365 -0.255 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CN(C(=O)CO[C@H]3CCOC3)C[C@H]2C1 961572883 WSRAWHMULHQYSY-FQUUOJAGSA-N 321.377 -0.132 30 20 DBED Cn1nnc2c1C[C@H](C(=O)NC1[C@@H]3CN(CC#N)C[C@@H]13)CC2 961596587 FPJRMGRPVGJOTE-GMTAPVOTSA-N 300.366 -0.510 30 20 DBED O=C(NC[C@H]1COCCN1C(=O)C#CC1CC1)[C@@H]1COCCO1 964092870 MLXFEOWXTBFOPC-KBPBESRZSA-N 322.361 -0.841 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CN(C(=O)c3cnsn3)CCO2)C1 965318051 VTCCILOPJPFEQC-VIFPVBQESA-N 321.362 -0.249 30 20 DBED Cc1nc(C)c(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)[nH]1 970683158 MCJWNKDMANSVJN-XROYCOCOSA-N 305.338 -0.512 30 20 DBED CC#CCN1CCO[C@@]2(CCN(C(=O)[C@H]3CCCC(=O)N3)C2)C1 972423678 DGIUDMZYHRDDQU-PBHICJAKSA-N 319.405 -0.018 30 20 DBED N#Cc1cc(C(=O)NC[C@H]2CCN(C(=O)CC(N)=O)C2)c[nH]1 982559072 IUUWTALOHNNONQ-SECBINFHSA-N 303.322 -0.660 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@@H]2CCN(C(=O)c3cnn[nH]3)C2)c1 982962555 DMILILHFWQSINU-VIFPVBQESA-N 313.321 -0.103 30 20 DBED N#Cc1c[nH]c(C(=O)NC2CN(C(=O)c3cnnc(O)c3)C2)c1 990709442 MKFXGEIFERQGQE-UHFFFAOYSA-N 312.289 -0.364 30 20 DBED C=CCN1CC[C@]2(NC(=O)CN3CCNC(=O)C3)CCC[C@H]12 992083057 DJWCMMUDILKGIT-XJKSGUPXSA-N 306.410 -0.283 30 20 DBED C#CCCN1CCC[C@H](NC(=O)Cn2c(O)nnc2O)[C@H]1C 994294585 HLJMAYAZFDBTHY-MNOVXSKESA-N 307.354 -0.318 30 20 DBED C=CCN1CC[C@@H](N[C@@H]2CN(C(=O)CC(N)=O)CC2(C)C)C1=O 995568608 VIMSBTDWPATNTO-VXGBXAGGSA-N 322.409 -0.525 30 20 DBED C=C[C@@](C)(CC)C(=O)N1CC(NC(=O)Cn2c(O)nnc2O)C1 997257643 HONBKNVGMNHOAZ-AWEZNQCLSA-N 323.353 -0.381 30 20 DBED C#Cc1ccc(C(=O)N(C)C[C@@H]2CCCN2C(=O)C(N)=O)cn1 1002913545 LEMFYHTVJAYZQJ-ZDUSSCGKSA-N 314.345 -0.389 30 20 DBED Cc1nc(C(=O)NC2CCN(CC#N)CC2)nn1-c1nc[nH]n1 1003404219 IZSIVDVNAWDBAK-UHFFFAOYSA-N 315.341 -0.588 30 20 DBED C[C@H](C#N)C(=O)N1CC([C@@H](C)NC(=O)c2ccc(C(N)=O)[nH]2)C1 1006875081 AOKLIYDUITXIPE-RKDXNWHRSA-N 317.349 -0.150 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](CNC(=O)c3cnn(C)n3)[C@H]2C1 1009253952 HRNHNAFNYKPZOH-XWLWVQCSSA-N 302.338 -0.591 30 20 DBED CC(=O)N1CCN(C(=O)N2CCN(C(=O)[C@@H](C)C#N)CC2)CC1 1011330772 MJCNJMFBOSAYFY-LBPRGKRZSA-N 321.381 -0.426 30 20 DBED C[C@H]1[C@H](NC(=O)c2cn(C)nn2)CCN1C(=O)C#CC1CC1 1011739396 POOTYSKLFGEOGQ-CMPLNLGQSA-N 301.350 -0.052 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@H](NCc2ncnn2C)C1 1018986150 SEULICVNWUUEBV-KBPBESRZSA-N 316.409 -0.397 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCN(C(=O)c3cnnn3C)C2)C1 1019362944 IYIVKDVCESNTAO-SNVBAGLBSA-N 302.338 -0.351 30 20 DBED C#CCN1CCC(C(=O)N2CC[C@H](N[C@H]3CCNC3=O)C2)CC1 1019814108 SPSDVYJGMHVKRL-GJZGRUSLSA-N 318.421 -0.589 30 20 DBED N#Cc1ccccc1CN[C@H]1C[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 1020532241 LNBIPEKFMDEKSK-IHRRRGAJSA-N 313.361 -0.024 30 20 DBED N#CCN1[C@H]2CC[C@H]1CC(NC(=O)CN1CCOCC1=O)C2 1021281052 IMAYNTAGGCTHOD-STQMWFEESA-N 306.366 -0.520 30 20 DBED N#CCN1[C@H]2CC[C@H]1CC(NC(=O)[C@H]1CC[C@@H](C(N)=O)O1)C2 1021378079 CDLAVGYZKMVGKJ-ZDEQEGDKSA-N 306.366 -0.346 30 20 DBED C=C(Cl)CN[C@H]1C[C@@H](NC(=O)CN2CCN(C)C(=O)C2)C1 1022328763 WJAJEEJKHCGPIU-TXEJJXNPSA-N 314.817 -0.250 30 20 DBED C=C1CC(C)(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3COCCO3)C2)C1 1023098097 GMVLQKLPPFGSPC-UPJWGTAASA-N 324.377 -0.554 30 20 DBED O=C(Cc1cnc[nH]1)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1025803836 NUHLLANQCGWNNA-CHWSQXEVSA-N 302.334 -0.947 30 20 DBED C#CCN[C@@H]1CC[C@H]2CN(C(=O)Cn3c(O)nnc3O)C[C@@H]21 1026407291 MUXPQOJNQTZXST-GARJFASQSA-N 305.338 -0.851 30 20 DBED CNC(=O)CN1[C@H]2CC[C@H]1CN(C(=O)c1c[nH]c(C#N)c1)C2 1029277373 FTOHIYMZXCCJLK-STQMWFEESA-N 301.350 -0.079 30 20 DBED CN1C[C@H](C(=O)NC2CN(Cc3ccccc3C#N)C2)NC1=O 1030793216 LLMJRKFVHPOPDQ-CQSZACIVSA-N 313.361 -0.118 30 20 DBED N#CCN1C[C@@H]2C[C@H]1CN2C(=O)C1CC2(C1)CS(=O)(=O)C2 1032475943 RILWTGAAAIGZKU-RYUDHWBXSA-N 309.391 -0.380 30 20 DBED C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cnc(O)n(C)c1=O 1032557348 PRHDNKIQHLXYFZ-QWRGUYRKSA-N 302.334 -0.592 30 20 DBED C#CCCN1CC[C@@H](N(C)C(=O)[C@H]2CN(C(C)=O)CCO2)C1 1033626278 PBBFHLVWWWHZIT-HUUCEWRRSA-N 307.394 -0.210 30 20 DBED N#CCN1CCO[C@@H](CNC(=O)c2cccc3nn[nH]c23)C1 1035386516 ZRZSIMJJJDVVQZ-JTQLQIEISA-N 300.322 -0.088 30 20 DBED C=CCCn1cc(C(=O)N2CC[C@@H](NCC(N)=O)[C@H](C)C2)nn1 1036211893 MIPCEEYNBQFHCD-VXGBXAGGSA-N 320.397 -0.220 30 20 DBED CC#CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)c1cnc(O)n(C)c1=O 1037538396 GOMHXHVUEWNGAU-USWWRNFRSA-N 302.334 -0.688 30 20 DBED C#CCCCC(=O)NC[C@@]1(O)CCN(C(=O)c2cnon2)C1 1039572620 AHKNCLZRRDLSIF-AWEZNQCLSA-N 306.322 -0.434 30 20 DBED C[C@H]1CCN(C(=O)CC(N)=O)C[C@H]1CN=c1cc[nH]c(C#N)n1 1039854285 DQXPSYVEULZTEB-WDEREUQCSA-N 316.365 -0.458 30 20 DBED C=CCO[C@H](C)C(=O)NC[C@]1(O)CCN(C(=O)c2cc[nH]n2)C1 1040161439 MJUHYDWFIFFWRE-IAQYHMDHSA-N 322.365 -0.306 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)Cc2cncn2C)C1 1040355417 VJVTYYGXQMIMFJ-NHYWBVRUSA-N 319.365 -0.798 30 20 DBED CC(C)(C)C#CC(=O)N1CC[C@](O)(CNC(=O)c2cnon2)C1 1040666137 QGUKXCJELYORAH-HNNXBMFYSA-N 320.349 -0.188 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)C[C@@H](C)OC)C1 1042040713 XRAJNIVZSGPZRH-LLVKDONJSA-N 300.355 -0.697 30 20 DBED C=CCn1cc(C(=O)NCC2(O)CN(C(=O)C=C(C)C)C2)nn1 1043104751 AIAKVPRLVXRVIG-UHFFFAOYSA-N 319.365 -0.267 30 20 DBED C=CCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCC(=O)NC2)C1 1043797934 MLVDXVJGBBLJOZ-GFCCVEGCSA-N 323.393 -0.442 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)CCCN(C)C)C1 1045413721 XOPPCPKUEKZWKX-UHFFFAOYSA-N 309.410 -0.179 30 20 DBED C#Cc1ccc(C(=O)N2CC(O)(CNC(=O)[C@@H](C)C#N)C2)cn1 1045545941 FCASIHFSYHEWTO-NSHDSACASA-N 312.329 -0.474 30 20 DBED CC[C@@H](C(=O)N1CC(O)(CNC(=O)[C@H](C)C#N)C1)N(CC)CC 1045551409 IOJRXPXXIMWBAH-OLZOCXBDSA-N 324.425 -0.044 30 20 DBED C[C@H](C(=O)N1CC(O)(CNC(=O)[C@H](C)C#N)C1)c1cncnc1 1045564210 DSTREDPYQHQQGQ-MNOVXSKESA-N 317.349 -0.571 30 20 DBED CN1CC[C@@H](C(=O)N2CCN([C@@H]3CCN(CC#N)C3)CC2)C1=O 1046056098 UWAOYUODFUBOGZ-ZIAGYGMSSA-N 319.409 -0.793 30 20 DBED N#Cc1nccnc1N[C@H]1C[C@@H](CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 1046593409 QRNUUPHTOZSHCS-YTWAJWBKSA-N 314.349 -0.224 30 20 DBED CN(C(=O)c1cccc2nc(O)[nH]c12)[C@H]1CN(CC#N)C[C@@H]1O 1047413149 YRCZRLDGXPXQGE-RYUDHWBXSA-N 315.333 -0.091 30 20 DBED C[C@H]1CCCN(C(=O)C(N)=O)[C@H]1CCN=c1cc[nH]c(C#N)n1 1047739352 MYGHGHITBNKLFY-QWRGUYRKSA-N 316.365 -0.315 30 20 DBED C#CCC1(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)COC)C2)CCC1 1048037794 IRLDSXACRVWFJZ-STQMWFEESA-N 308.378 -0.144 30 20 DBED N#CCN1C[C@H]2CN(C(=O)[C@H]3CN4CC5CC4(CO3)C5)C[C@H]2C1 1048943358 AINVAMTWAYWTJM-WCCAFZKYSA-N 316.405 -0.237 30 20 DBED C#Cc1ccc(C(=O)N2C[C@@H]3CN(CC(=O)NC)C[C@@H]3C2)nc1 1049175204 OXIHNKYIWWGMNB-OKILXGFUSA-N 312.373 -0.187 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)C2=CCOCC2)C[C@@H]1O 1049394894 OOXIAMDCODWFBV-DRZSPHRISA-N 307.350 -0.477 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2COCCN2C[C@@H](C)O)nn1 1051156685 WTHOYUAETOUESC-NEPJUHHUSA-N 309.370 -0.725 30 20 DBED C=C(Cl)CN1CCN([C@H]2CCN(C(=O)CC(N)=O)C2)CC1 1052000714 PAPMERWYOLJKQC-LBPRGKRZSA-N 314.817 -0.167 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC2(C1)CN([C@H]1CCCNC1=O)C2 1053191429 QKKZBKROCJXZAJ-RYUDHWBXSA-N 306.366 -0.662 30 20 DBED C[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1CNC(=O)C#CC1CC1 1053298627 ALWRYYXHULXQAO-DGCLKSJQSA-N 317.389 -0.124 30 20 DBED C#CCN1CC2(CC[C@@H](CNC(=O)[C@H]3COCCN3C)O2)C1 1053592734 QNZXPOAAXMOGSZ-UONOGXRCSA-N 307.394 -0.700 30 20 DBED CC#CCN1CC2(CC[C@H](CNC(=O)[C@H]3CCCNC3=O)O2)C1 1053614192 SYPVWKHLDUMVJB-KGLIPLIRSA-N 319.405 -0.115 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)[C@H]3CCn4ccnc4C3)CO2)C1 1053851978 DSBKAYQISKPLCJ-STQMWFEESA-N 315.377 -0.071 30 20 DBED C[C@H](C#N)C(=O)N[C@]1(CO)CCCN(C(=O)CC(=O)N(C)C)C1 1056097407 PRAQHEPBHYTOFC-IAQYHMDHSA-N 324.381 -0.906 30 20 DBED N#Cc1nccnc1N[C@@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1 1056761713 AMLHKXNUAHUGFP-SECBINFHSA-N 311.305 -0.242 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)c1cc(CC)[nH]n1 1057037553 FKXULLILQBSTKD-UHFFFAOYSA-N 324.381 -0.275 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)CCN(C)CC 1057194943 UINULBVEOWVOCM-UHFFFAOYSA-N 315.414 -0.532 30 20 DBED N#Cc1cccnc1N[C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 1059046974 DVCBHZSXSFECFT-QWRGUYRKSA-N 300.322 -0.353 30 20 DBED Cc1ccc(C#N)c(N[C@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)C2)n1 1059047306 MBZGUYYIQDQVCH-RYUDHWBXSA-N 314.349 -0.044 30 20 DBED N#Cc1nccnc1N[C@H]1C[C@@H](NC(=O)[C@H]2CC[C@H]2C(N)=O)C1 1059784731 XXIFWLUMOSLYTO-YTWAJWBKSA-N 314.349 -0.081 30 20 DBED N#CCSCC(=O)NC[C@@H]1COCCN1C(=O)C(F)F 1061321917 XIYGDVKERLRZJY-MRVPVSSYSA-N 307.322 -0.148 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCOC[C@@H]1CNC(=O)c1ncc[nH]1 1061558169 LMLGIPUSAAYXOR-RYUDHWBXSA-N 320.349 -0.595 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CCCCN1C(=O)Cn1cnnn1 1061997846 JAUDXBBXPAAZHQ-CYBMUJFWSA-N 318.381 -0.170 30 20 DBED N#Cc1nccnc1N1CCO[C@@H](CNC(=O)c2cnco2)C1 1063648345 ZBNUNBPAGPYZLR-JTQLQIEISA-N 314.305 -0.029 30 20 DBED Cc1nc(CC(=O)N[C@H]2[C@H]3C[C@H]2N(c2cncc(C#N)n2)C3)n[nH]1 1064249778 ILVCBSDRSYYRJN-ISOBSLSZSA-N 324.348 -0.289 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)[C@H]2CCCO2)CCO1 1064814982 SMUQLLQRSFZNGN-QWHCGFSZSA-N 312.366 -0.288 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](CNC(=O)c3cnccn3)C2)cn1 1067646335 ZMXACDMMYLGGNB-IAQYHMDHSA-N 324.344 -0.030 30 20 DBED N#Cc1cncc(N2C[C@H](O)[C@H](CNC(=O)c3ccon3)C2)n1 1067654132 SVGYZRSPNUDQTG-SKDRFNHKSA-N 314.305 -0.437 30 20 DBED C=CCOCC(=O)N1CC2(C[C@H](NC(=O)c3cocn3)CO2)C1 1068759903 ZPBFPIBQPBJGSR-NSHDSACASA-N 321.333 -0.023 30 20 DBED C#CCN1CCn2ncc(CNC(=O)[C@H]3CC[C@H]3C(N)=O)c2C1 1069869617 VJCXMSCIOUXYCC-OLZOCXBDSA-N 315.377 -0.540 30 20 DBED NC(=O)CC(=O)NC1(CNC(=O)C#CC2CC2)CCOCC1 1070047060 CFNAQGYDIYHUEO-UHFFFAOYSA-N 307.350 -0.943 30 20 DBED C#CCN[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1n1ccnn1 1070208882 BPONOBJKXYQUCY-CABCVRRESA-N 316.409 -0.263 30 20 DBED C=C[C@H](C)[C@@H](C)C(=O)NCC1(NC(=O)C(N)=O)CCOCC1 1070229950 PABIPHIBNQODNK-WDEREUQCSA-N 311.382 -0.289 30 20 DBED N#CCN1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2COC(=O)N2)C1 1070407347 CWKIFWPBGQRMOA-ONGXEEELSA-N 318.337 -0.553 30 20 DBED Cn1cc(C(=O)N2CCC[C@@H](NC(=O)CSCC#N)C2)nn1 1070685025 JSAZSKYAWIUIOQ-SNVBAGLBSA-N 322.394 -0.207 30 20 DBED C[C@H](CC(=O)N[C@@H]1CCCN(C(=O)C#CC2CC2)C1)NC(N)=O 1070707616 CFIXKSHXBIALSP-DGCLKSJQSA-N 320.393 -0.046 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC[C@@H](NC(=O)Cn2nccn2)C1 1070730942 YUAMCVNYOIJYSX-CHWSQXEVSA-N 319.365 -0.576 30 20 DBED C=CCOCC(=O)N1C[C@@H](NC(=O)c2ccc(O)nn2)[C@H](C)C1 1071809770 YLFRAXPCEQPSMG-ZYHUDNBSSA-N 320.349 -0.039 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(C(=O)c2cnco2)C[C@@H]1C 1072450510 MIANGJHAYVQGEO-WDEREUQCSA-N 318.333 -0.609 30 20 DBED C=CCOCC(=O)N1CC[C@H](NC(=O)CC(=O)NC)[C@@H](C)C1 1073902802 HGOIBMTXDADASV-RYUDHWBXSA-N 311.382 -0.322 30 20 DBED C[C@H]1[C@@H](NCCN2C(=O)CCC2=O)CCN1C(=O)[C@H](C)C#N 1074568503 QCKUCWMRGSDPIQ-WOPDTQHZSA-N 306.366 -0.126 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)CSCC#N 1075675728 LIIQXIYOGJSODD-NSHDSACASA-N 324.406 -0.606 30 20 DBED CC#CCN1C[C@@H]2CCN(C(=O)c3ccc(=O)n(C)n3)[C@@H]2C1 1076537823 HYYLVAVZRMSMGC-GXTWGEPZSA-N 300.362 -0.050 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H](C)CCNC(=O)CCCC(N)=O 1077178168 WMLFHIUOKGNXGD-NHYWBVRUSA-N 313.398 -0.020 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)c2nc3ncc(C)cn3n2)C1 1077200625 WYFSJAARONCNEO-VXGBXAGGSA-N 314.349 -0.769 30 20 DBED C#CCOCCC(=O)N[C@@H](C)CCNC(=O)[C@H]1CCC(=O)NC1 1077282509 DAYMQRHCZQMIOQ-STQMWFEESA-N 323.393 -0.437 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2COCCN2CCCC)C1 1077443929 CQXTYANGRZFOGB-RBSFLKMASA-N 311.426 -0.165 30 20 DBED C=C(C)C[C@@H](C)C(=O)NC1(CO)CCN(C(=O)C(N)=O)CC1 1080956153 MJPNMZIVFQRACA-LLVKDONJSA-N 311.382 -0.456 30 20 DBED C[C@H](C#N)C(=O)NC1(CO)CCN(C(=O)C2=CCOCC2)CC1 1080980118 KUPXGRYFWOOWMW-GFCCVEGCSA-N 321.377 -0.038 30 20 DBED N#CCSCC(=O)NC[C@@H]1CN(C(=O)c2cn[nH]c2)C[C@@H]1O 1081286888 QNCWFDHDDBNNAN-MNOVXSKESA-N 323.378 -0.784 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cc(=O)n(C)o2)C1 1081430338 DZLDTWAXDBJHLF-WDEREUQCSA-N 323.349 -0.506 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)Cn2nccn2)C[C@H]1O 1081439254 NUTQFHUDAKPUAA-QWHCGFSZSA-N 319.365 -0.983 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)Cc2cnc[nH]2)C[C@H]1O 1081465042 AIEMHTPUWUZLGZ-TZMCWYRMSA-N 318.377 -0.453 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(C(=O)Cn2ccnc2)C[C@H]1O 1081473560 HZMGELXMASPXKP-UONOGXRCSA-N 316.361 -0.768 30 20 DBED C=CCCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2cnon2)C1 1081682115 LREDJYXZIDWSDV-ZYHUDNBSSA-N 308.338 -0.025 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cc2n(n1)CCO2 1083107279 WWUSAYMMQGFDIX-UONOGXRCSA-N 316.361 -0.176 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CCc2nccn2C1 1083125491 UNWYKYJCTLJSIL-SOUVJXGZSA-N 314.389 -0.010 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)[C@H]2CN(C(C)C)CCO2)C1 1083723302 DMEBWYKQJKEIRW-QLFBSQMISA-N 311.426 -0.167 30 20 DBED C=CCCn1cc(C(=O)NC[C@H]2C[C@@H](N[C@@H](C)C(N)=O)C2)nn1 1086221640 CPOOBYJFJXEAHB-SDDRHHMPSA-N 320.397 -0.174 30 20 DBED C[C@@H](C[C@@H](C)Nc1ccc(C#N)nn1)NC(=O)Cn1ncnn1 1089401782 ZAPIKSOCJUUZBI-ZJUUUORDSA-N 315.341 -0.270 30 20 DBED CC(=O)CCCC(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1O 1090365275 MZHGTMFRFBJKAB-CHWSQXEVSA-N 317.349 -0.227 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(c2nc(C)ncc2C)C[C@H]1O 1090494334 BJKILHQYQQUEEE-ZIAGYGMSSA-N 318.377 -0.201 30 20 DBED COc1ccnc(O)c1C(=O)N[C@H]1CCN(CC#N)C[C@@H]1O 1090731388 RESVJYMVRIPUMV-UWVGGRQHSA-N 306.322 -0.516 30 20 DBED N#Cc1nccnc1N[C@H]1C[C@H](CNC(=O)CNC(N)=O)C1 1091422532 FMYLOKIBMNXBNB-KYZUINATSA-N 303.326 -0.677 30 20 DBED Cc1cnc2nc(C(=O)NCCN=c3cc[nH]cc3C#N)nn2c1 1093942070 NKJFTRNDFARIPY-UHFFFAOYSA-N 322.332 -0.037 30 20 DBED Cn1nc(C(=O)NCCCN=c2cc[nH]c(C#N)n2)ccc1=O 1094422992 SRPJLYAOOGKVPI-UHFFFAOYSA-N 313.321 -0.904 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cn(CCOC)nn1 1095405073 MTUAOMTTWKLCHW-DYEKYZERSA-N 303.366 -0.107 30 20 DBED C[C@@H](CC(N)=O)C(=O)NCCCN(C)c1ccnc(C#N)n1 1095704971 PENXRDXCQADDNH-JTQLQIEISA-N 304.354 -0.198 30 20 DBED CCN(CCCNC(=O)[C@@H]1COC(=O)N1)c1cncc(C#N)n1 1095870761 HMYUZCGQCCMECZ-NSHDSACASA-N 318.337 -0.211 30 20 DBED C[C@H](CC(N)=O)C(=O)N[C@H]1CCN(c2nccnc2C#N)C1 1096457302 HVWGSTKJHQXVRI-ZJUUUORDSA-N 302.338 -0.445 30 20 DBED Cn1nncc1C(=O)NC[C@@H](N=c1cc[nH]c(C#N)n1)C1CC1 1096660068 QJVLIVUAYNUXCJ-SNVBAGLBSA-N 312.337 -0.481 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC[C@H](Nc2ccc3nnnn3n2)C1 1096932398 NOCUCFCJTOULSG-HZMBPMFUSA-N 317.353 -0.141 30 20 DBED CN(C)CCOCC(=O)N[C@H]1C[C@H](Nc2nccnc2C#N)C1 1097051021 ZPGWVILKCMJHDB-HAQNSBGRSA-N 318.381 -0.014 30 20 DBED C[C@H](CNC(=O)C(=O)NCC1CC1)Nc1ccc(C#N)nn1 1098013042 XCAHHGBMXDXDGU-SECBINFHSA-N 302.338 -0.209 30 20 DBED C[C@H](CNC(=O)[C@H]1CCCC(=O)N1)Nc1nccnc1C#N 1098116974 ADLWZBALMMJDMT-NXEZZACHSA-N 302.338 -0.066 30 20 DBED Cc1ccc(=O)n(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC#N)n1 1098255255 CJPFPOAXMLYZRQ-UPJWGTAASA-N 301.350 -0.203 30 20 DBED N#Cc1nc(=N[C@@H]2CCC[C@H](NC(=O)CC(N)=O)C2)cc[nH]1 1098612771 KXNAWIRMSNTMAL-ZJUUUORDSA-N 302.338 -0.515 30 20 DBED Cc1cc(COCC(=O)N[C@@H]2CCN(CC#N)C[C@H]2O)on1 1099889724 FLEDRYZWFJZACH-CHWSQXEVSA-N 308.338 -0.425 30 20 DBED C=CCN1CC[C@@H](NC(=O)CCN2C(=O)CCC2=O)[C@H](O)C1 1099908667 HOOAILZMVOAPCP-VXGBXAGGSA-N 309.366 -0.737 30 20 DBED CC#CCN1CC[C@H](NC(=O)CCN2CCCC2=O)[C@@H](O)C1 1100115807 FFDFCYQBDGUCJT-KBPBESRZSA-N 307.394 -0.426 30 20 DBED C=C(C)CNC1CC(CNC(=O)CN(C)S(C)(=O)=O)C1 1100380216 UUPAUGBBPMYZMC-UHFFFAOYSA-N 303.428 -0.062 30 20 DBED CCN1CCOC[C@@H]1C(=O)NCC1CC(NCC#CCOC)C1 1100463364 BBGCDYBMROAYPF-UYSNPLJNSA-N 323.437 -0.159 30 20 DBED C=CCCOCC(=O)N(C)CCNc1ccc2nnnn2n1 1101667611 KTNXCQIHHONMCX-UHFFFAOYSA-N 305.342 -0.018 30 20 DBED C[C@@H]1CN(CCN2C(=O)CCC2=O)C[C@H]1CNC(=O)[C@H](C)C#N 1101827888 PQMWJRSRFQDCPJ-JHJVBQTASA-N 320.393 -0.021 30 20 DBED CN(CCNc1ncccc1C#N)C(=O)Cn1ncn(C)c1=O 1101836023 GKPWWOPGJHEPPR-UHFFFAOYSA-N 315.337 -0.581 30 20 DBED C[C@@H]1CCN(CC(=O)N(C)CCN=c2cc[nH]c(C#N)n2)C1 1101962464 KIDHIQCGJQBXDL-GFCCVEGCSA-N 302.382 -0.018 30 20 DBED CCC[C@H](C(=O)NC[C@@H]1CN(CC#N)C[C@H]1C)S(N)(=O)=O 1102187594 CUNUZCKDFPHBTH-IJLUTSLNSA-N 316.427 -0.349 30 20 DBED C[C@H]1CCCC[C@]1(CN=c1cc[nH]c(C#N)n1)NC(=O)C(N)=O 1103606843 CGJLACIBJJKNMH-ZUZCIYMTSA-N 316.365 -0.268 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1CC[C@H](NC(=O)CNC(N)=O)CC1 1103635016 SFZXIVUDZBTRQK-HAQNSBGRSA-N 316.365 -0.117 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CC(=O)N(C)C1)CNc1cnc(C#N)cn1 1104255076 VUBSZMPPTIWICC-GHMZBOCLSA-N 316.365 -0.009 30 20 DBED C=CCCNCc1cn(C2CN(C(=O)c3cn(C)nn3)C2)nn1 1105227736 WTFLSRKXAWIBDD-UHFFFAOYSA-N 316.369 -0.231 30 20 DBED N#Cc1nc(=NC[C@@H](O)CNC(=O)C[C@@H]2CCCO2)cc[nH]1 1105719023 WKVAVMBAYMOERA-MNOVXSKESA-N 305.338 -0.772 30 20 DBED N#Cc1nc(=NC[C@@H](O)CNC(=O)CC2CCOCC2)cc[nH]1 1105762677 UJIQUMLISCIFED-GFCCVEGCSA-N 319.365 -0.524 30 20 DBED C[C@H](C(=O)NC[C@H](O)CNc1ccc(C#N)cn1)n1cncn1 1105828378 GKNXYDCXGIOHCP-ZYHUDNBSSA-N 315.337 -0.305 30 20 DBED COCC(C)(C)C(=O)NC[C@H](O)CNc1ccc(C#N)nn1 1106022484 BZSKWJBANIPEDX-LLVKDONJSA-N 307.354 -0.090 30 20 DBED N#Cc1cncc(NC[C@H](O)CNC(=O)c2n[nH]cc2F)n1 1106083233 KBNUQEOIIOGNIX-QMMMGPOBSA-N 305.273 -0.587 30 20 DBED CC(=O)N[C@H](C)C(=O)NC/C=C\CNc1cncc(C#N)n1 1107021120 MWLPRPKKASPDSK-UMBAGQNISA-N 302.338 -0.043 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@]12CCC[C@H]1N(CC(N)=O)CC2 1107403201 ZAORCNPXENOCCM-WOSRLPQWSA-N 307.394 -0.129 30 20 DBED C#CCNC(=O)CN1CCO[C@](C)(CNC(=O)[C@@H](C)CC)C1 1107752035 NMLGIXSHXGWZCM-XJKSGUPXSA-N 309.410 -0.011 30 20 DBED C[C@@]1(CNC(=O)[C@@H]2CC23CC3)CN(CC(=O)NCC#N)CCO1 1108240852 QGWXGKUPTLCPHV-SWLSCSKDSA-N 320.393 -0.367 30 20 DBED CC#CCN1CC(N2C[C@H](NC(=O)[C@H](OC)C3CC3)CC2=O)C1 1108539271 ZMVSYXYSPBBVPS-CZUORRHYSA-N 319.405 -0.164 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CC(=O)N(C2CN(CCF)C2)C1 1108546578 YOMAGGQMMLQLEZ-VXGBXAGGSA-N 311.357 -0.605 30 20 DBED CCN1CCOC[C@H]1C(=O)N[C@@H](C)CNc1nccnc1C#N 1108598547 VVWDHHLXXWGQPI-AAEUAGOBSA-N 318.381 -0.014 30 20 DBED C[C@@H](CN(C)c1cnc(C#N)cn1)NC(=O)[C@@H](C)CC(N)=O 1109204613 AZCLSGPAJWIOQE-UWVGGRQHSA-N 304.354 -0.199 30 20 DBED CN(CCCN=c1cc[nH]c(C#N)n1)C(=O)C[C@H]1COC(=O)C1 1109435996 WMOJNGLVZDKUOS-LLVKDONJSA-N 317.349 -0.016 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1[C@H]2C[C@H]1N(c1nccnc1F)C2 1109704665 ZENDSLUFDJUKLJ-CWSCBRNRSA-N 317.324 -0.552 30 20 DBED CNC(=O)C1(C(=O)NCC2(Nc3cnc(C#N)cn3)CC2)CC1 1110175457 FWBBNSXICNOPBW-UHFFFAOYSA-N 314.349 -0.065 30 20 DBED N#Cc1nccc(NC2(CNC(=O)[C@@H]3CC[C@@H]3C(N)=O)CC2)n1 1110299962 LJZQXFKFPGTLHS-VHSXEESVSA-N 314.349 -0.080 30 20 DBED N#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCNC(=O)[C@@H]1CCCO1 1111508925 LZEPLOUOGLRTSW-MQYQWHSLSA-N 320.393 -0.083 30 20 DBED C[C@@H]1CO[C@@H](C(=O)N(CCO)CCN=c2cc[nH]c(C#N)n2)C1 1111599437 ZHKGIULYPAKYKV-NWDGAFQWSA-N 319.365 -0.572 30 20 DBED CNC(=O)CN1C[C@@H]2CCC[C@]2(NC(=O)CSCC#N)C1 1111600084 MGRWEXCDAAIALN-FZMZJTMJSA-N 310.423 -0.040 30 20 DBED CSCC(=O)NC[C@@H]1CN(c2nccnc2C#N)C[C@H]1O 1112697905 PXDYODKWXFIEEP-MWLCHTKSSA-N 307.379 -0.375 30 20 DBED COCC#CCN1CCN(C(=O)c2cn(C)nc2COC)CC1 1113031515 BLXNJTMIGLGTPP-UHFFFAOYSA-N 320.393 -0.026 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)c2[nH]c(C)nc2C)CC1 1113355742 LWVAVWVSAJTNQM-GFCCVEGCSA-N 317.393 -0.078 30 20 DBED C[C@H](NC(N)=O)C(=O)NC[C@H](C)N(C)c1ncccc1C#N 1113576696 UMMQNLLYVCBNPV-UWVGGRQHSA-N 304.354 -0.049 30 20 DBED C=CCOCCN1CCN(C(=O)Cn2nc(C)n(C)c2=O)CC1 1113597697 GCTPWVPDMLNCHH-UHFFFAOYSA-N 323.397 -0.763 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)c3ccc[nH]3)[C@H]2C1 1113854303 FTYSKNOQOYDCHE-CIQGVGRVSA-N 300.362 -0.187 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)COCC3CC3)[C@H]2C1 1113922135 JGPPUHISCKMDIP-VIKVFOODSA-N 305.378 -0.791 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)CNC(=O)CCC)[C@H]2C1 1113969699 ZWOMDJXLTJMEOE-ATCWAGBWSA-N 322.409 -0.749 30 20 DBED CC(C)NC(=O)NCCN1C[C@H]2[C@H](NC(=O)[C@H](C)C#N)[C@H]2C1 1114067858 XSLWIZGRTHBOPP-NDBYEHHHSA-N 307.398 -0.100 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)C3CC(F)(F)C3)[C@H]2C1 1114113814 GQFZMSNSVDLUFT-QWRGUYRKSA-N 311.332 -0.173 30 20 DBED C#CCCCCC(=O)NC1[C@H]2CN(CC(=O)NC(=O)NC)C[C@H]12 1114159874 NEJMHKXMAJRLMI-RYUDHWBXSA-N 320.393 -0.318 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)CCN(C)CC)[C@@H]2C1 1115073946 FDCTXIDFEYCGJW-CHWSQXEVSA-N 308.426 -0.323 30 20 DBED C[C@H](CN(C)C(=O)[C@@H]1CN(C)CCO1)N=c1cc[nH]c(C#N)n1 1115664220 LLOJAAYNXOXFJY-NEPJUHHUSA-N 318.381 -0.640 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CCC(N(C)C(C)=O)CC1 1117580098 AZBWDQYTIINHTG-GFCCVEGCSA-N 311.382 -0.227 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N1CCN([C@H]2CCOC2)CC1 1118508818 LGZGWKXJICWSGK-HNNXBMFYSA-N 317.389 -0.595 30 20 DBED C[C@H](CN(C)C(=O)C[C@@H](C)NC(N)=O)N=c1cc[nH]c(C#N)n1 1120119022 YBSFHQVQMROEBS-NXEZZACHSA-N 319.369 -0.524 30 20 DBED Cc1cc(C(=O)NC[C@@H](CO)Nc2nccnc2C#N)n[nH]1 1121119618 GWPFWNPBLOQJSG-VIFPVBQESA-N 301.310 -0.417 30 20 DBED N#Cc1nccnc1N[C@@H](CO)CNC(=O)C[C@H]1CCOC1 1121399625 QEYWSRAUJSQMSK-GHMZBOCLSA-N 305.338 -0.336 30 20 DBED C#CCNC1CC2(C1)CC(NC(=O)COCc1ncnn1C)C2 1122001275 ONDWPDXORFUISY-UHFFFAOYSA-N 317.393 -0.018 30 20 DBED C=C(C)CCC(=O)NC[C@@H](CO)N=c1cc[nH]c(C(=O)OC)n1 1122158368 NSRXGWOITLVLGU-NSHDSACASA-N 322.365 -0.070 30 20 DBED Cn1cc(C(=O)NC[C@@H](CO)Nc2ccc(C#N)nc2)nc1O 1122445348 PSTHEYPODZDZQX-NSHDSACASA-N 316.321 -0.405 30 20 DBED C=CCn1cc(C(=O)NC[C@H](CO)Nc2ncc(F)cn2)nn1 1122636155 NDXXAJGFAJKERI-SNVBAGLBSA-N 321.316 -0.404 30 20 DBED CNC(=O)CC(=O)N1CC[C@@H](N=c2cc[nH]cc2C#N)[C@@H]1C 1122973232 YMMCWTQKEZWHFV-CMPLNLGQSA-N 301.350 -0.087 30 20 DBED N#Cc1ccc(NC[C@@H]2CC[C@H](NC(=O)CNC(N)=O)C2)nn1 1123719287 MXNPYVQVEHWTRC-ZJUUUORDSA-N 317.353 -0.287 30 20 DBED COCCOCC(=O)N(C)C[C@@H](O)CNc1ncccc1C#N 1124192295 UDMFCBISZMGYES-ZDUSSCGKSA-N 322.365 -0.153 30 20 DBED C#CCCCC(=O)N(C)C[C@@H](O)CNc1ccc2nnnn2n1 1124278781 OFWHYWKTWGHSGC-NSHDSACASA-N 317.353 -0.446 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)c2n[nH]c(C)c2O)C1=O 1125734270 MXBSYWNUVSJHJX-JTQLQIEISA-N 307.354 -0.470 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)Cc2ccnn2C)C1=O 1126397914 MZAYGAMWBPZZOR-ZDUSSCGKSA-N 305.382 -0.545 30 20 DBED O=C(C#CC1CC1)NCCNCc1nnnn1C1CCOCC1 1126875953 UPIQOPUJLCVYDD-UHFFFAOYSA-N 318.381 -0.356 30 20 DBED O=C(C#CC1CC1)N[C@H]1CCc2nnc(CNCCO)n2CC1 1127997237 KUSWJVVQZMOWFM-ZDUSSCGKSA-N 317.393 -0.406 30 20 DBED N#CCNCc1nnc2n1CC[C@@H](NC(=O)c1cnn[nH]1)CC2 1128005070 IOFHLWNBZOFQQQ-VIFPVBQESA-N 315.341 -0.856 30 20 DBED C#CCNCc1nnc2n1CC[C@H](NC(=O)c1nc[nH]n1)CC2 1128054962 XRRMDCKYKYGPGK-SNVBAGLBSA-N 314.353 -0.746 30 20 DBED O=C(NCCNCC#Cc1ccc(F)cc1)C1CS(=O)(=O)C1 1128107889 BSDUBBZXXZMFFC-UHFFFAOYSA-N 324.377 -0.072 30 20 DBED COCC#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)CSC)C1 1128694795 PHIMVPQPELBXQE-OLZOCXBDSA-N 323.422 -0.368 30 20 DBED CC(=O)N[C@H](C(=O)NCCNCC(=O)NCC#N)C1CCCC1 1131080190 OEMBPNNCXHRSNY-AWEZNQCLSA-N 323.397 -0.973 30 20 DBED C[C@H](C#N)C(=O)NCc1nc([C@H]2C[C@H](F)CN2CCO)n[nH]1 1131151519 HTZUNEQNZTZSJC-KXUCPTDWSA-N 310.333 -0.342 30 20 DBED COCCCN1CCNC(=O)CCN(C(=O)[C@@H](C)C#N)CC1 1131339400 BFKWYWLCALIVAN-ZDUSSCGKSA-N 310.398 -0.167 30 20 DBED C[C@@H](C[C@H](C)NC(=O)c1cnn(C)c1N)NCC(=O)NCC#N 1134198325 WDHUAELLCVBCMI-UWVGGRQHSA-N 321.385 -0.871 30 20 DBED C=CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)c1cnnn1C 1134244793 QCAINKBRDMBQNV-MNOVXSKESA-N 308.386 -0.396 30 20 DBED CC#CCN[C@@H](C)C[C@H](C)NC(=O)Cn1ccc(O)nc1=O 1134897221 BOHJLXAMUCDZLY-RYUDHWBXSA-N 306.366 -0.155 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)COCCCOC)C1=O 1147061472 BICGWKKARGTGNO-CYBMUJFWSA-N 313.398 -0.468 30 20 DBED CN1C(=O)CC[C@@H]1CC(=O)NC[C@@H]1CN(CC#N)CCCO1 1150078052 GKFJCVQRPCPYLI-CHWSQXEVSA-N 308.382 -0.272 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)COCc2ncnn2C)C1 1150541826 SSOGFFAJEAPRSI-ZDUSSCGKSA-N 321.381 -0.828 30 20 DBED CCN(CC#N)[C@H](C)CNC(=O)[C@@H]1CCc2nnc(O)n2C1 1154074340 NCAJNNBWUVNQCU-GHMZBOCLSA-N 306.370 -0.104 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)c1snnc1C 1154527921 IXQJRXHXANYEON-JTQLQIEISA-N 309.395 -0.306 30 20 DBED N#CCSCC(=O)NCCCNCC(=O)Nc1cnccn1 1154802741 MXZGUYPOCVYTIP-UHFFFAOYSA-N 322.394 -0.232 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)NCCCNC(=O)c1cn[nH]c1 1155029461 IPRCDGBXBJNUOP-SNVBAGLBSA-N 322.369 -0.481 30 20 DBED C[C@H](C#N)C(=O)NCCCNC[C@H](O)COC1CCOCC1 1155848788 PAJSOMDAUBROJT-OLZOCXBDSA-N 313.398 -0.202 30 20 DBED COCC#CCNCCCNC(=O)[C@H]1CCc2nnnn2CC1 1167066383 YZYXCBSUMNMCAR-ZDUSSCGKSA-N 320.397 -0.629 30 20 DBED N#CCNC(=O)CNCCCNC(=O)c1cccc2nc[nH]c12 1168999322 MRMZUQVUBQUFKX-UHFFFAOYSA-N 314.349 -0.088 30 20 DBED C#CCNC(=O)CNCCCNC(=O)CC[C@]1(C)CCC(=O)N1 1177615363 VPXXYTBYYZAAFE-MRXNPFEDSA-N 322.409 -0.719 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](NCc2ccon2)[C@@H]1C 1178508744 RQJDUMVJKHNJEK-AAEUAGOBSA-N 304.350 -0.107 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC[C@H](NC[C@@H](O)COC)[C@@H]1C 1178572439 IAVRFLKMJREZIO-SFDCQRBFSA-N 300.399 -0.100 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)CO[C@H]2CCOC2)[C@H]1C 1178671709 MNSSZQVTFLEXCP-IHRRRGAJSA-N 323.393 -0.880 30 20 DBED C#CCNCCCCCCNC(=O)[C@H]1CCN(C)S1(=O)=O 1179792481 OVSKEDPBERTRAG-CYBMUJFWSA-N 315.439 -0.080 30 20 DBED COCC#CCN[C@H]1CCN(C(=O)c2ccc(=O)n(C)n2)[C@H]1C 1180070505 WSEQABOXAKNNJE-STQMWFEESA-N 318.377 -0.377 30 20 DBED C#CCNC(=O)CNCCCCCCNC(=O)[C@@H]1CCC(=O)N1 1180103942 LNZVMNGPRMFLBA-ZDUSSCGKSA-N 322.409 -0.719 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2cnnn2CC)C1 1182335977 HMJWSEBOGSBDIR-NWDGAFQWSA-N 320.397 -0.207 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)c2cnc(C)n2C)C1 1185167360 QMTAUIHRGVGWBW-GFCCVEGCSA-N 305.382 -0.165 30 20 DBED C=CCNC(=O)CN1C[C@@H]2CCN(C(=O)[C@H]3CCOC3)[C@@H]2C1 1187100854 GKFJWRBSKGJWIR-MELADBBJSA-N 307.394 -0.142 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H](CC(C)C)C(N)=O)C1 1188467172 PBXILLBOJKXUOX-OLZOCXBDSA-N 322.409 -0.926 30 20 DBED COCC#CCN1C[C@@H]2CCN(C(=O)[C@H]3CCC(=O)N3C)[C@@H]2C1 1188919495 WXZPEASMTIZJJI-RRFJBIMHSA-N 319.405 -0.210 30 20 DBED CCN(CCC#N)C(=O)CN1C[C@@H](O)[C@H](NC(=O)C2CC2)C1 1190579954 CHKXYBSBJOGVDW-CHWSQXEVSA-N 308.382 -0.680 30 20 DBED CC(C)(C)C#CC(=O)N[C@@H]1CN(CCNC(=O)C2CC2)C[C@H]1O 1192814026 VMPQBFPIBAXDGM-ZIAGYGMSSA-N 321.421 -0.277 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)c2ccnnc2C)C1 1194423652 BVPKYQVCDUTAKE-ZIAGYGMSSA-N 306.366 -0.237 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)c2c(C)nn(C)c2C)C1 1195091619 VJFSTUIPXYZEHO-ZIAGYGMSSA-N 320.393 -0.538 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCCN(C(=O)c2csnn2)CC1 1196674325 URPXQUUIMPIFJG-LLVKDONJSA-N 321.406 -0.176 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)COCCN(C)C)C1 1197781904 AWPYDLCCSRSBND-VXGBXAGGSA-N 305.806 -0.522 30 20 DBED CC[C@@H](CC(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1O)C(C)C 1197934779 HOORWFRKZSPJHZ-BFHYXJOUSA-N 324.425 -0.140 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2ncnn2C)C[C@H]1O 1199315485 YZLWPZZPHUYSNZ-IJLUTSLNSA-N 309.370 -0.933 30 20 DBED CN1CCC[C@@H]1C(=O)N1CCC(NCC(=O)NCC#N)CC1 1199826276 IVSVMBYVEWFDIG-CYBMUJFWSA-N 307.398 -0.699 30 20 DBED N#CCNC(=O)CNC1CCN(C(=O)Cc2cccnc2)CC1 1200064827 MQKUVQHFWQGVTD-UHFFFAOYSA-N 315.377 -0.156 30 20 DBED C#CCNC(=O)CNC[C@H]1CN(C(=O)c2cc[nH]c2)CCCO1 1200563414 QNFGEJJDVCGDQE-AWEZNQCLSA-N 318.377 -0.415 30 20 DBED C=C(C)CCNC1CCN(C(=O)Cn2cnc(C(N)=O)n2)CC1 1200644772 QPHZBOFOUMLTQX-UHFFFAOYSA-N 320.397 -0.076 30 20 DBED C#CCNC[C@H]1CN(C(=O)c2cncc(OC)n2)CCCO1 1201568174 DKMRWAGUEQYZOH-LBPRGKRZSA-N 304.350 -0.061 30 20 DBED C#CCCNC[C@H]1CN(C(=O)c2c[nH]c(C(N)=O)c2)CCCO1 1202080991 XOHFOWGNIQWSMF-ZDUSSCGKSA-N 318.377 -0.042 30 20 DBED N#CCNC[C@@H]1CN(C(=O)[C@H]2CCCS2(=O)=O)CCCO1 1202109289 ODJWCGNXIFSCFN-VXGBXAGGSA-N 315.395 -0.706 30 20 DBED C#CCCN[C@H]1C[C@@H](NC(=O)CN2C(=O)CNC2=O)C12CCC2 1203694391 FKCMXDRXTDCLAE-NWDGAFQWSA-N 318.377 -0.422 30 20 DBED C#CCCNCC1CCN(C(=O)[C@H](C)NS(C)(=O)=O)CC1 1206410238 KZXXAOPVHITGOV-LBPRGKRZSA-N 315.439 -0.224 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)[C@H]2CCCCO2)[C@H](C)C1 1206874234 JWRWIGRYWBRVQZ-MGPQQGTHSA-N 307.394 -0.259 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)C[C@@H]2CCNC2=O)C1 1208325327 MISRRTQVRNHVFA-STQMWFEESA-N 322.409 -0.605 30 20 DBED C=C(C)CN1C[C@@H](NC(=O)[C@@H](CCC(N)=O)NC(C)=O)[C@H](C)C1 1209513634 BJCWIBRJOIFQOL-MRVWCRGKSA-N 324.425 -0.231 30 20 DBED C#CCCCC(=O)N[C@@H]1CN([C@@H](C)C(=O)NCC#C)C[C@H]1OC 1212185225 PPELSUBZFIEDQT-RRFJBIMHSA-N 319.405 -0.257 30 20 DBED CC#CCN1C[C@@H](NC(=O)[C@@H](CCC)NC(N)=O)[C@H](OC)C1 1213787594 IPBQLYOAYHLCOW-JHJVBQTASA-N 310.398 -0.338 30 20 DBED CO[C@@H](C)CCC(=O)N1C[C@@H](NCC(=O)NCC#N)[C@H](C)C1 1214478044 OGJJSFQBMAVLMX-FRRDWIJNSA-N 310.398 -0.122 30 20 DBED C#CCCN[C@@H]1CN(C(=O)c2cn(C)c(=O)n(C)c2=O)C[C@H]1C 1215750992 UVFXEILDSQVHDM-DGCLKSJQSA-N 318.377 -0.843 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)CSC 1217219838 STEJDQBLTKSFOC-NWDGAFQWSA-N 313.423 -0.437 30 20 DBED C=CCCO[C@H](C)C(=O)N[C@@H]1CN(CCOCCO)C[C@@H]1O 1219313182 XTQKQYNTIRAMFS-MCIONIFRSA-N 316.398 -0.862 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(Cc2cc(OC)ccn2)C[C@@H]1O 1219362067 OTWOLBZAKMCVSA-CABCVRRESA-N 321.377 -0.046 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)Cc2ccnn2C)C1 1219524866 IANLUPMXOMZGFC-KGLIPLIRSA-N 308.382 -0.674 30 20 DBED C[C@H](NC(=O)c1ccoc1)C(=O)N[C@@H]1CN(CC#N)C[C@@H]1O 1219683916 HFUSFCYLRLFFBQ-WCQGTBRESA-N 306.322 -0.917 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@]23CCC[C@@H]2C3)C1 1220038944 ILVOQPAKKMTPTQ-NFFDBFGFSA-N 307.394 -0.360 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@@H](CC2CCC2)NC(C)=O)C1 1220214675 KFJRHEYSCIJPTL-OAGGEKHMSA-N 321.421 -0.134 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](NC(=O)[C@@H](C)CS(C)(=O)=O)C1 1221102279 OSNQZHNSXASVEL-XQQFMLRXSA-N 318.439 -0.205 30 20 DBED C[C@@H](C#N)C(=O)NCC1CCN(Cc2nc(=O)n(C)[nH]2)CC1 1222636892 SNMHJUCXZMWPQC-JTQLQIEISA-N 306.370 -0.404 30 20 DBED C=CCNC(=O)CN(C)CCCNC(=O)c1ccc(O)nn1 1233588703 HBXGPPRWEJFDPV-UHFFFAOYSA-N 307.354 -0.464 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C[C@@H]1CCN1CCn1cncn1 1234267380 YKMRONJIKLEQPN-KGLIPLIRSA-N 305.382 -0.151 30 20 DBED CN(C[C@@H]1CCN1CC(=O)NCC#N)C(=O)CN(C)C1CCC1 1235394467 TYZJWPFUWFUAGZ-AWEZNQCLSA-N 321.425 -0.357 30 20 DBED C=CCOCC(=O)NCCCN(C)C[C@@H](O)Cn1cccn1 1235698622 MPODZPAUGMVSOL-CQSZACIVSA-N 310.398 -0.115 30 20 DBED CSc1nnc(CNC(=O)NCC(=O)NCC#N)s1 1258267435 XGSUEVCWKMKDEM-UHFFFAOYSA-N 300.369 -0.301 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCC[C@H]1CC(=O)OC)[C@H]1CCCO1 1261154488 MHGZBKFDIOVJGA-RWMBFGLXSA-N 322.361 -0.163 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)CCO1 1261168924 FIPGQDFCXHSPLW-LPWJVIDDSA-N 319.361 -0.189 30 20 DBED Cc1nc(-c2ncccn2)nc(O)c1CC(=O)NCC#CCO 1321333049 PNRWORIDRZYDLF-UHFFFAOYSA-N 313.317 -0.398 30 20 DBED C[C@@H](OC(=O)CC[C@H]1NC(=O)NC1=O)C(=O)NC1(C#N)CCC1 1321741582 PQVYVLXLWMYPST-RKDXNWHRSA-N 322.321 -0.531 30 20 DBED CN1CCC(N2CC[C@H](NC(=O)NCC(=O)NCC#N)C2)CC1 1322830366 QYMLZUGEESLVEP-LBPRGKRZSA-N 322.413 -0.906 30 20 DBED C=CCCCS(=O)(=O)NCC1(O)CCS(=O)(=O)CC1 1324110821 IXVIUONRBRKEST-UHFFFAOYSA-N 311.425 -0.188 30 20 DBED C#CCOCCC(=O)NC1(C(=O)OC)CCS(=O)(=O)CC1 1325183811 GGKZNOKISRCYJF-UHFFFAOYSA-N 317.363 -0.737 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)NC1CCC(C(=O)NC)CC1 1325907783 YXNFSZPFGABNCY-CXQJBGSLSA-N 311.382 -0.275 30 20 DBED C=CCN(C(=O)C(=O)NCc1cn(CC)nn1)[C@@H](C)COC 1328280339 FCAQSEBJSLOAAN-NSHDSACASA-N 309.370 -0.036 30 20 DBED COCCCN(CCO)C(=O)C(=O)N1CC[C@@](F)(C#N)C1 1328511933 DIESMJADLZHZIU-CYBMUJFWSA-N 301.318 -0.692 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](CO)C2)CCN1C1CC1 1329768766 WZJDFGLURXXIQO-TZMCWYRMSA-N 320.393 -0.584 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N[C@@H]1CCN(C(C)=O)C1 1330418025 DBKIPDCNPVWJCJ-CHWSQXEVSA-N 309.366 -0.732 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N(CC)C[C@H]2CCOC2)nn1 1332057948 DXYPCKUBUPVPKO-GFCCVEGCSA-N 321.381 -0.035 30 20 DBED C[C@@](C#N)(NC(=O)COC(=O)[C@H]1CCS(=O)(=O)N1)C1CC1 1332586886 GYXLPDXERCSTJL-SKDRFNHKSA-N 315.351 -0.970 30 20 DBED C=C(C)CN(C)C(=O)C(=O)NCC1CCS(=O)(=O)CC1 1334604135 UBYOOCUCGURYAQ-UHFFFAOYSA-N 302.396 -0.038 30 20 DBED CN(C)CC#CCNC[C@@H](O)CN1C(=O)c2ccccc2C1=O 1335424994 BQQZXUJMEPEGEC-CYBMUJFWSA-N 315.373 -0.202 30 20 DBED C#C[C@H](NC(=O)C(=O)Nc1cnc2ccnn2c1)[C@@H]1CCCO1 1336673325 QIAVNIVWNUDXJW-RYUDHWBXSA-N 313.317 -0.035 30 20 DBED C=CCn1c(N2CCCNC(=O)C2)nnc1[C@]1(O)CCOC1 1339245558 FANQZGIMPPQSEI-AWEZNQCLSA-N 307.354 -0.602 30 20 DBED COC1CCN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)CC1 1345618380 IRQALWVSLFKNMV-CYBMUJFWSA-N 320.393 -0.177 30 20 DBED C#CCN1CCN(C(=O)CN[C@@H]2CCC[C@H]2C(=O)OC)CC1 1346243670 JWMGIIRTNITLDN-ZIAGYGMSSA-N 307.394 -0.305 30 20 DBED C=C(C)COCCNC(=O)C(=O)NCC1CC2(C1)OCCO2 1354752461 MBHOPCFQGCWUTC-UHFFFAOYSA-N 312.366 -0.035 30 20 DBED CO[C@@H](CNC(=O)Cn1cc(C#N)c(O)nc1=O)CC(C)C 1362572040 PNQQZHFHFYRSLO-LLVKDONJSA-N 308.338 -0.002 30 20 DBED CCCNC(=O)CN(CCC)c1[nH]c(=O)n(C)c(=O)c1C#N 1364202880 ZWHYRBPXYGQSNB-UHFFFAOYSA-N 307.354 -0.312 30 20 DBED Cc1cccnc1CCNS(=O)(=O)N1CCO[C@@H](C#N)C1 1364868611 AALFGGONLTYZAU-LBPRGKRZSA-N 310.379 -0.009 30 20 DBED C[C@H](C#N)C(=O)N(C)C1CCN(C(=O)CN2CCOCC2)CC1 1381573430 APACOCCXDWMJEE-CYBMUJFWSA-N 322.409 -0.072 30 20 DBED CO[C@H](C(=O)N1CCN(CCNC(=O)[C@@H](C)C#N)CC1)C1CC1 1385577301 DWTBKLPPWLHQDX-JSGCOSHPSA-N 322.409 -0.169 30 20 DBED C[C@H](CN(C)C(=O)c1cc(C#N)c[nH]1)NC(=O)[C@H]1CCC(=O)N1 1405010107 LDAJLWKYVXESHN-MWLCHTKSSA-N 317.349 -0.258 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NCc2cc(=O)n3nccc3[nH]2)CC1 1406905401 GDQWOHYTXGYKLV-JTQLQIEISA-N 314.349 -0.079 30 20 DBED COCC1(C(=O)NC[C@H](O)CNC(=O)[C@H](C)C#N)CCCC1 1410121980 JKJKZYUHLDRSDF-VXGBXAGGSA-N 311.382 -0.054 30 20 DBED Cc1c(C(=O)N2CCO[C@H](C#N)C2)nnn1-c1cnn(C)c1 1412509433 WIEHEMXXPMBRNS-LLVKDONJSA-N 301.310 -0.326 30 20 DBED Cn1cnnc1[C@H]1CCCN(c2[nH]c(=O)n(C)c(=O)c2C#N)C1 1413882299 YONDEPDELIYXKB-VIFPVBQESA-N 315.337 -0.542 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CCCN(C(=O)CCn2ccnn2)C1 1414714166 AQPDPOKOAMKGCT-RYUDHWBXSA-N 304.354 -0.065 30 20 DBED C[C@@H](CNC(=O)COCc1nncn1C)NC(=O)[C@H](C)C#N 1428800245 VLFSKLMEWYOIPY-ZJUUUORDSA-N 308.342 -0.888 30 20 DBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)c1cnn(CCO)c1 1433880693 QTGOSORYTTWNMY-UHFFFAOYSA-N 317.353 -0.243 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)c2ccn(C)c(=O)c2)CC1 1433978946 FBSZVWSZCRYAOU-SNVBAGLBSA-N 302.334 -0.076 30 20 DBED CNC(=O)NC(=O)CN(C)CCNC(=O)c1cc(C#N)c[nH]1 1442374883 KWHJYMZWFYTPHD-UHFFFAOYSA-N 306.326 -0.996 30 20 DBED COCCN(CCNC(=O)C[C@@H]1CCC(=O)N1)C(=O)[C@H](C)C#N 1444971437 FKJDLYVTPGQIBO-NEPJUHHUSA-N 324.381 -0.594 30 20 DBED CN(CCNC(=O)Cn1cncn1)C(=O)c1ccc(C#N)[nH]1 1449244698 JPPNMOJSXNZTNR-UHFFFAOYSA-N 301.310 -0.634 30 20 DBED C[C@@H](CNC(=O)c1ccc(C(N)=O)cn1)CNC(=O)[C@H](C)C#N 1451615329 UFTICEKXFBQQBJ-NXEZZACHSA-N 317.349 -0.178 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](C)CNC(=O)CCn1ncn(C)c1=O 1451616105 XCGFJTANNQWGCB-MNOVXSKESA-N 322.369 -1.000 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](NC(=O)C1(NC(N)=O)CC1)C(C)(C)C 1452068897 ZMUKWLZCTBLMTM-VHSXEESVSA-N 323.397 -0.006 30 20 DBED CC(C)OCC(=O)NC[C@@H](O)CNC(=O)c1ccc(C#N)[nH]1 1452314690 VILBQOBAFXNZHG-LLVKDONJSA-N 308.338 -0.482 30 20 DBED COc1cc(C#N)ccc1S(=O)(=O)NCCN1CCNC1=O 1464546851 SAMLQLBAUKLQQW-UHFFFAOYSA-N 324.362 -0.130 30 20 DBED CCOC(=O)CCN(C)C(=O)Cn1cc(C#N)c(O)nc1=O 1469072049 QPHBYPNCAZTYNW-UHFFFAOYSA-N 308.294 -0.768 30 20 DBED CC(C)N1C(=O)CN(c2[nH]c(=O)n(C)c(=O)c2C#N)CC1(C)C 1472710928 IQLCVKARSPNPKZ-UHFFFAOYSA-N 319.365 -0.219 30 20 DBED CCS(=O)(=O)N1CCC(C(=O)[C@@H](C#N)C(=O)NC)CC1 1524677211 BDPYHRBWAZHRDJ-SNVBAGLBSA-N 301.368 -0.497 30 20 DBED C#Cc1ccc(C(=O)N2CC(CNC(=O)CNC(=O)O)C2)nc1 1573311832 HTRYDTIQAXHHSO-UHFFFAOYSA-N 316.317 -0.481 30 20 DBED C#C[C@H]1COCCN1C(=O)[C@H](O)c1ccc(-c2nn[nH]n2)cc1 1588331985 ZRFPMDYRLNPDJQ-QWHCGFSZSA-N 313.317 -0.239 30 20 DBED C#CC1(O)CN(CCC(=O)Nc2sccc2-c2nn[nH]n2)C1 1588333572 XIIPTKHPJJLDAU-UHFFFAOYSA-N 318.362 -0.063 30 20 DBED C=C(CCC(=O)O)C(=O)N1C[C@H]2[C@H](OC)CS(=O)(=O)[C@H]2C1 1588619552 XIEQPXGWFDMAAL-AXFHLTTASA-N 317.363 -0.322 30 20 DBED C=CCOC[C@@H](NC(=O)CN(C)[C@@H]1CCC[C@H]1O)C(=O)O 1588853778 IBLQZNCQDDCYJH-IJLUTSLNSA-N 300.355 -0.396 30 20 DBED C[C@@H](C(=O)N[C@]1(C#N)CC1(C)C)n1cnc(-c2nn[nH]n2)n1 1588970673 MDPUKBFBAMCGEY-MADCSZMMSA-N 301.314 -0.172 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)NC1CCN(CC(=O)O)CC1 1588987714 BTOPPCJGTQHKDG-JTQLQIEISA-N 318.399 -0.396 30 20 DBED OCC#CCNC[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 1593523403 WHDVCESADAKQOA-LBPRGKRZSA-N 303.322 -0.808 30 20 DBED CN(CCN(C)c1nccnc1C#N)C(=O)[C@@H]1C[C@H]1C(=O)O 1598487568 WHGSPGLBHSMMFB-NXEZZACHSA-N 303.322 -0.036 30 20 DBED CNC(=O)CNC(=S)NN=Cc1cc(C(=O)O)c(C)n1C 1598644711 JKKMQLGQSSCKLH-UHFFFAOYSA-N 311.367 -0.424 30 20 DBED CN1C[C@H](C(=O)O)N(S(=O)(=O)c2ccccc2C#N)CC1=O 1606203811 OKKZNIXFMIETRS-SNVBAGLBSA-N 323.330 -0.526 30 20 DBED N#C[C@@]12CN(C[C@@H]3[C@@H](C(=O)O)C3(F)F)C[C@@H]1CS(=O)(=O)C2 1608190529 SUIHZSYTNLSMPX-REIXXSIJSA-N 320.317 -0.178 30 20 DBED COC(=O)[C@H](Cn1ccnc1)NC(=O)[C@@H](C)n1cnc(C#N)n1 1645779619 IODNJEWIPVGXFQ-ZJUUUORDSA-N 317.309 -0.735 30 20 DBED N#C[C@@H]1CNC[C@H]1NC(=O)CS[C@H]1CCS(=O)(=O)C1 1645883557 SDACBAYJIRIKFK-KXUCPTDWSA-N 303.409 -0.866 30 20 DBED C=CCNC(=O)CNC[C@H]1CCCN1C(=O)C[C@@H]1COC(=O)C1 1698728734 TWKZFYNLXQZGDA-QWHCGFSZSA-N 323.393 -0.178 30 20 DBED C=CCN1CCN(CCNC(=O)c2ccc(=O)n(C)n2)CC1 1752375726 WQBGMCWWFRFPCT-UHFFFAOYSA-N 305.382 -0.686 30 20 DBED C=C(C)CNC[C@@H]1CCN(C(=O)CS(=O)(=O)N(C)C)C1 1752957976 IPNFVGZMOWMSLX-LBPRGKRZSA-N 303.428 -0.108 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)CCNC(=O)c1nccn1CC 1753047248 CNEZNEBHJSXHKE-GFCCVEGCSA-N 305.382 -0.298 30 20 DBED C#CCNC(=O)CNCCN(C)C(=O)C(=O)N1CCC[C@H](C)C1 1753238921 ZKKSZIZYFXNEHP-ZDUSSCGKSA-N 322.409 -0.958 30 20 DBED CC[C@@H](CNC(=O)CSCC#N)N[C@@H]1CCC(=O)NC1=O 1753466546 KXAOCUGVMYBCHQ-VHSXEESVSA-N 312.395 -0.467 30 20 DBED C=CCN1CC[C@@H](NC[C@H](C)CNC(=O)Cc2nc[nH]n2)C1=O 1753638227 LNWGGCGTSSZAKJ-NWDGAFQWSA-N 320.397 -0.524 30 20 DBED Cn1nnc(CN2C[C@H]3C[C@H]2[C@@H]3NC(=O)C#CC(C)(C)C)n1 1754423098 RMKDSVYTKLFWGD-UHIISALHSA-N 302.382 -0.052 30 20 DBED N#CCNC(=O)CNC[C@H](NC(=O)c1ccccn1)C1CC1 1754432068 AWUBHLXRQUVBCI-ZDUSSCGKSA-N 301.350 -0.181 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@]1(C)CCN(CC(=O)NC(=O)NC)C1 1754671499 ZJDLSCCDLXBBKD-XHDPSFHLSA-N 324.381 -0.939 30 20 DBED Cn1ccc(C(=O)NCC2(NCC#N)CCOCC2)cc1=O 1754737203 DHVJOMYKHKDHRV-UHFFFAOYSA-N 304.350 -0.223 30 20 DBED C#CCNC1(CNC(=O)[C@@H]2CCc3nncn3C2)CCOCC1 1754742799 VJFVPSNSRMHEMQ-CYBMUJFWSA-N 317.393 -0.271 30 20 DBED CCn1ncnc1CN1CC(O)(CNC(=O)C#CC(C)C)C1 1754767152 HCEZADSEQCLIJC-UHFFFAOYSA-N 305.382 -0.380 30 20 DBED CC#CCN1CC(O)(CNC(=O)c2cnc3nccnc3c2)C1 1754769421 ZGWSQQXTMCGADW-UHFFFAOYSA-N 311.345 -0.175 30 20 DBED C=CCCN1CC([C@@H](C)NC(=O)CN2CCC(=O)NC2=O)C1 1755388921 LXZSSDHSORLHIL-LLVKDONJSA-N 308.382 -0.059 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H]2C[C@H](CNCCOCCO)C2)c1 1755468466 RPJKGVPJDPRRFD-AULYBMBSSA-N 306.366 -0.007 30 20 DBED C#CCN(C)C[C@@H](O)CN(C)C(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1755803399 UFTBKCMXGZICJX-LJISPDSOSA-N 310.394 -0.578 30 20 DBED C=C(C)CCC(=O)N[C@H](C)C1CN(C(=O)Cn2cnnn2)C1 1756145973 MLYZHWFIOAWNHA-LLVKDONJSA-N 306.370 -0.008 30 20 DBED C=CCO[C@H](C)C(=O)N[C@H](CO)CNC(=O)c1cc(C#N)c[nH]1 1756510792 OZKKEKRJKABWGS-PWSUYJOCSA-N 320.349 -0.316 30 20 DBED C=C[C@@](C)(CC)C(=O)NC[C@@H](CO)NC(=O)CS(C)(=O)=O 1756548312 PFHQNCHPFSKYPR-GWCFXTLKSA-N 320.411 -0.773 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)CC(=O)N(C)C)C[C@H]21 1757245015 UORAFWQMGIFQES-QJPTWQEYSA-N 306.366 -0.316 30 20 DBED COc1ccc(C(=O)O)cc1C=NNC(=S)NCC(N)=O 1776042323 FIPTVFPXOTYVSE-UHFFFAOYSA-N 310.335 -0.323 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1conc1C)C2 1800451263 UTEKOESOMRZUMO-GNXNZQSNSA-N 303.318 -0.181 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cccnc1)C2 1800451961 QOOAVQWMWGAIPY-XOIINTDNSA-N 313.357 -0.153 30 20 DBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](CC)NC)C2)C1 1839807467 BRBSXSZXMVHKFF-XJKSGUPXSA-N 323.393 -0.926 30 20 DBED C=CCC(=O)N1CC2(CCCN2C(=O)[C@H](O)N2CCOCC2)C1 1844297679 BAVWTYHIAFAZBP-AWEZNQCLSA-N 323.393 -0.584 30 20 DBED C[C@@H](C(N)=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 15545577 WEEAOEOJHKEMDY-NSHDSACASA-N 322.390 -0.262 30 20 DBED C[C@@H]1[C@@H](C)[S@@](=O)CCN1c1c(C#N)c(=O)n(C)c(=O)n1C 76693374 ZBBNXFSIVJVWAC-VRNWYBPDSA-N 310.379 -0.699 30 20 DBED CC(C)(CNC(=O)Cn1cccc(C#N)c1=O)N1CCOCC1 119060680 NDAJDORSXARBSS-UHFFFAOYSA-N 318.377 -0.053 30 20 DBED COc1cc(C/N=C(\N)N2CCOCC2)ccc1OCC(N)=O 264101829 OKEWKCQYDOGRJM-UHFFFAOYSA-N 322.365 -0.294 30 20 DBED C=CCNC(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 264732066 NCGSFSTYFZDRCT-NSHDSACASA-N 305.400 -0.040 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H]2CCSC2)C1=O 279251737 RYYVGAZZJRNLMO-VIFPVBQESA-N 311.363 -0.168 30 20 DBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCCNS(C)(=O)=O 281588381 VJSPNGDYCCPJQO-QWRGUYRKSA-N 305.400 -0.184 30 20 DBED N#Cc1ncn(CCNC(=O)[C@@H]2COCCN2C2CCCC2)n1 286957323 RYJSLBOPRPBMLS-ZDUSSCGKSA-N 318.381 -0.091 30 20 DBED C[C@H](O)CN1CCN(/C(O)=N/[C@H]2CCCS(=O)(=O)C2)CC1 329367594 HNHKCANQZCBZMK-RYUDHWBXSA-N 319.427 -0.524 30 20 DBED CC/N=C(/O)NC(=O)[C@H](C)N1CCO[C@H](c2n[nH]c(C)n2)C1 330904989 UPFUWBDEECSTIZ-WPRPVWTQSA-N 310.358 -0.075 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CCOC[C@H]1C[C@@H](C)O 336948030 PZWPHMVJVOJTQH-VXGBXAGGSA-N 305.400 -0.062 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)NCCCC(=O)NC2CC2)CCO1 336949269 RLCKGRHWUDZVGS-LLVKDONJSA-N 316.383 -0.896 30 20 DBED C[C@H](O)C[C@@H]1CCCN1C(=O)C(=O)Nc1ccn(CCC#N)n1 337546155 ONRSKGXQKQECNG-RYUDHWBXSA-N 319.365 0.497 30 20 DBED CCn1cc(S(=O)(=O)N2CCO[C@@H](C#N)C2)c([N+](=O)[O-])n1 339038783 ARMPFEFFMVEQQF-QMMMGPOBSA-N 315.311 -0.276 30 20 DBED COC(=O)[C@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(C#N)o1 344515141 MWABEAPYJWYZEP-IONNQARKSA-N 300.292 -0.552 30 20 DBED COC(=O)CCN1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1=O 347334043 SDUZLLZLKJBUFJ-LLVKDONJSA-N 304.306 -0.220 30 20 DBED CCCN1CCC[C@@H]1CNS(=O)(=O)N1CCO[C@@H](C#N)C1 352513066 URMXJCHPHKLJSG-OLZOCXBDSA-N 316.427 -0.080 30 20 DBED Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC(=O)NCC#N 352527567 BXZKKTSBOZTUQR-UHFFFAOYSA-N 312.307 -0.179 30 20 DBED N#Cc1csc(C(=O)NCCOCCS(N)(=O)=O)c1 353295527 AHNHMONDDKLFQD-UHFFFAOYSA-N 303.365 -0.345 30 20 DBED CC#CCCNS(=O)(=O)c1cnc2c(c1)c(O)nc(=O)n2C 354074344 ZSXUEJPQUFUIPS-UHFFFAOYSA-N 322.346 -0.274 30 20 DBED CO[C@@](C)(CNS(=O)(=O)N1CCO[C@H](C#N)C1)C1CC1 360255275 ZDPYABYZKYIRKX-NEPJUHHUSA-N 303.384 -0.140 30 20 DBED C=CCOC[C@@H](NC(=O)[C@@H](C)CN1CCOCC1)C(=O)OC 360724601 CZCPNHJWSRTMMF-QWHCGFSZSA-N 314.382 -0.185 30 20 DBED C=CCCOCCNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C 418993366 NZFZEJNHDNARBD-RYUDHWBXSA-N 313.398 -0.076 30 20 DBED CN(C)c1cc(C#N)cc(C(=O)Nc2ccn(CC(N)=O)n2)c1 432673301 WPJNLHSVVCLXDK-UHFFFAOYSA-N 312.333 0.558 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)NCCN2CCOCC2)[nH]1 443749933 QJBVKMVZNMPDEU-UHFFFAOYSA-N 305.338 -0.935 30 20 DBED C#CCN(CC)C(=O)C(=O)Nc1cccc(OCC(N)=O)c1 490574111 DKIZZYOVTXKBOV-UHFFFAOYSA-N 303.318 -0.029 30 20 DBED C#CCNC(=O)CN1CCN(Cc2ncnn2CCC)CC1 491683442 YUXDZZPDXPAYON-UHFFFAOYSA-N 304.398 -0.445 30 20 DBED C#CCN1CCN(C(=O)CN(C)[C@@H](C)CN2CCOCC2)CC1 491729973 JBRQSSRMZRQXBV-INIZCTEOSA-N 322.453 -0.584 30 20 DBED N#CCNC(=O)CN1CCCC[C@H]1COC(=O)N[C@H]1CCOC1 495812330 ASFPEOHTUXNSBJ-STQMWFEESA-N 324.381 -0.004 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N=c2nc[nH]n2C(C)C)C1=O 521428986 RALWILWMVVESAR-UHFFFAOYSA-N 320.309 -0.804 30 20 DBED COCCCNC(=O)CNS(=O)(=O)c1cccc(C#N)c1 550223411 DQJGRFJXLQYCGI-UHFFFAOYSA-N 311.363 -0.011 30 20 DBED COC(=O)[C@H]1CNC(=O)CN1C(=O)c1ncc(C#N)cc1C 552072214 LQYAUZWZDDINQW-SNVBAGLBSA-N 302.290 -0.625 30 20 DBED N#CCNC(=O)CNC(=O)N[C@H]1CCN(CC(F)(F)F)C1 553658215 QUPPXYIIBAEWNZ-QMMMGPOBSA-N 307.276 -0.438 30 20 DBED Cc1cc(C#N)cnc1C(=O)NCCN1CCS(=O)(=O)CC1 559196232 ATTKFOHJYOOVTD-UHFFFAOYSA-N 322.390 -0.278 30 20 DBED CC(C)(CC#N)CS(=O)(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 565083068 KDNVJDFFDHEDPW-SNVBAGLBSA-N 323.440 -0.120 30 20 DBED N#Cc1ccc(CN2CCN(c3nc(=N)[nH]c(=N)[nH]3)CC2)cc1 599013128 KWTGROCPZCQSLK-UHFFFAOYSA-N 310.365 -0.109 30 20 DBED C=CCNC(=O)NC(=O)CN1CCC(NC(=O)COC)CC1 603681928 OEAYQPRCTRGYQJ-UHFFFAOYSA-N 312.370 -0.775 30 20 DBED CC#CC[C@@H](CO)NC(=O)c1cc(S(N)(=O)=O)ccc1O 616505133 HBYHLQBOAOZFLD-VIFPVBQESA-N 312.347 -0.456 30 20 DBED CCCN1CCN(C(=O)C(=O)Nc2cnn(CC#N)c2)CC1 746378202 QGNIGZZJNKASPL-UHFFFAOYSA-N 304.354 -0.101 30 20 DBED COCC(=O)N(C)CC(=O)OCC(=O)N[C@](C)(C#N)C1CC1 758784431 GLYKARCCZJRKEJ-CQSZACIVSA-N 311.338 -0.557 30 20 DBED COCC#CCOC(=O)CNS(=O)(=O)c1cn(C)c(C)n1 762807843 PBBJSINVDMADGU-UHFFFAOYSA-N 315.351 -0.800 30 20 DBED N#Cc1cccnc1NCCNC(=O)C(=O)N1CCC[C@H](O)C1 774176715 LBGFOAZWOSKMNR-LBPRGKRZSA-N 317.349 -0.535 30 20 DBED C#C[C@@H](NC(=O)C(=O)NCc1c(C)nn(C)c1C)[C@@H]1CCCO1 788355287 LHNHUJPPSUBNAJ-KGLIPLIRSA-N 318.377 -0.050 30 20 DBED C=CCn1cc(CNC(=O)NCCS(=O)(=O)CC=C)nn1 823456922 UIFXWFIEEZEQOK-UHFFFAOYSA-N 313.383 -0.136 30 20 DBED N#Cc1cccnc1NCCNC(=O)Cn1cc(C(=O)O)nn1 833076293 AWEWAKGBMAEFKT-UHFFFAOYSA-N 315.293 -0.529 30 20 DBED COc1ccc(CNC(=N)NCC(=O)NCC#N)cc1OC 849027967 SZNPTIGPJLADSH-UHFFFAOYSA-N 305.338 -0.042 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N1CC[C@H](N2CC=CC2)C1 850711516 DNQXOEJAAGONDO-HNNXBMFYSA-N 319.405 -0.043 30 20 DBED C#CCCN1CCN(C(=O)[C@@]2(OC)CCS(=O)(=O)C2)CC1 895887077 XTERFPABNNNMFL-CQSZACIVSA-N 314.407 -0.642 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)c1ncn(C)n1)CCO2 949086782 OCXBXZSLYAOCNW-UHFFFAOYSA-N 303.366 -0.245 30 20 DBED CCN(C(=O)c1c[nH]c(C#N)c1)C1CN([C@H]2CCNC2=O)C1 949918816 FNCYHPNHJJCNBH-ZDUSSCGKSA-N 301.350 -0.079 30 20 DBED CN(C(=O)[C@H]1COCCN1C)C1CN(C(=O)C#CC2CC2)C1 954098404 GVMBLBSAZOIRPW-CQSZACIVSA-N 305.378 -0.600 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2cccc3nc(O)[nH]c23)C1 958145013 GARJERKQBIYDMZ-ZWNOBZJWSA-N 314.345 -0.076 30 20 DBED CC#CCN1C[C@H](CNC(=O)c2cc(C(N)=O)cn2C)[C@@H](O)C1 958219963 QOCIVKKXOLHBOC-JSGCOSHPSA-N 318.377 -0.830 30 20 DBED C=CCn1cccc1C(=O)N(C)[C@H]1CN(C(=O)COC)C[C@@H]1O 958873281 ZKEPNFSFDLCISX-KBPBESRZSA-N 321.377 -0.036 30 20 DBED O=C(c1cn[nH]c1)N1C[C@H]2[C@@H](C1)OCCN2C(=O)C#CC1CC1 960360692 IIGVKFZRIGKRFO-UONOGXRCSA-N 314.345 -0.125 30 20 DBED C=CCCN1C[C@@H]2C(NC(=O)[C@@H]3Cc4cncn4C(=O)N3)[C@H]2C1 961315152 RTBJKTFFFVMSDQ-AVGNSLFASA-N 315.377 -0.012 30 20 DBED N#Cc1cc(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@@H]3CCCO3)C2)c[nH]1 961390938 HSJXXZZUJHIGOG-AGIUHOORSA-N 318.333 -0.633 30 20 DBED CN1CCC[C@@H]1C(=O)NC[C@@H]1COCCN1C(=O)C#CC1CC1 964124325 VRHZDRRQHHMSML-HUUCEWRRSA-N 319.405 -0.162 30 20 DBED CO[C@@H](C)C(=O)N1CCOC[C@@H]1CNC(=O)c1c[nH]c(C#N)c1 964148063 WGFRWBNFLTVPRS-GWCFXTLKSA-N 320.349 -0.122 30 20 DBED COCC(=O)N1CCOC[C@H]1CNC(=O)c1ccc(C#N)[nH]1 964162289 IVWRPQALLVKGNX-LLVKDONJSA-N 306.322 -0.510 30 20 DBED C=CCCN1CC[C@@H](C)[C@H](NC(=O)Cn2ncn(C)c2=O)C1 967028540 DUJHRJUPZKJOSY-CHWSQXEVSA-N 307.398 -0.016 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CCCN(C(=O)C(N)=O)CC1 967654567 IQLUPKPKVALZIY-XQQFMLRXSA-N 323.393 -0.098 30 20 DBED CCn1nc(C)c(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)n1 968502111 HVWDDLUXRGDQFP-GDPRMGEGSA-N 320.353 -0.932 30 20 DBED C#CCN1CC[C@H](C)[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)C1 968544363 MHEDVCVAMSPSQX-JQWIXIFHSA-N 314.349 -0.509 30 20 DBED C=CCN1CC([C@@H](C)NC(=O)[C@H]2CCN(C)S2(=O)=O)C1 970569286 OAJKBRPERXUPEO-ZYHUDNBSSA-N 301.412 -0.357 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)[C@]3(C)CCNC(=O)C3)C2)C1 972432099 YEWXAUGAIBVFLS-SJORKVTESA-N 319.405 -0.161 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CCNC3=O)C2)[nH]1 973181347 UDCHMQXMWBTNAI-GMTAPVOTSA-N 315.333 -0.601 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)C3)[C@H]2C1 977204150 IIJZXBNEABEYSH-LIBFEPKXSA-N 318.377 -0.379 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@H]2COCCN2C(C)=O)C(C)(C)C1 977608993 BRVRVJTZBUWYTN-ZIAGYGMSSA-N 307.394 -0.307 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CCCN(C(=O)C(N)=O)C1 984579248 UKNAUKNJVSCZLR-TUAOUCFPSA-N 309.366 -0.488 30 20 DBED Cn1ccc(CC(=O)N2CC(NC(=O)c3c[nH]c(C#N)c3)C2)n1 990930415 GDEIVMBUZCFPJG-UHFFFAOYSA-N 312.333 -0.197 30 20 DBED Cc1nc[nH]c1C(=O)N[C@H]1CCN(C(=O)C#CC2CC2)C[C@H]1O 991593982 QENNTQPKXQVQRP-QWHCGFSZSA-N 316.361 -0.177 30 20 DBED CN1C[C@@H](C(=O)NC2CN(C(=O)c3cc(C#N)c[nH]3)C2)CC1=O 993783598 DWTXPMVWTBUZFB-JTQLQIEISA-N 315.333 -0.695 30 20 DBED C[C@@H](C#N)C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN1CCOCC1 996109131 PQPUHRFBPAADBV-CRWXNKLISA-N 320.393 -0.274 30 20 DBED CC#CCN1CCC(NC(=O)CN2CCN(C)C(=O)C2)CC1 1003205180 YYVJFHSCVHZXIN-UHFFFAOYSA-N 306.410 -0.636 30 20 DBED C=CCN1CC[C@H](N2CC[C@@H](NC(=O)Cc3cc[nH]n3)C2)C1=O 1010412782 DVMWQYSOSXDPBW-KGLIPLIRSA-N 317.393 -0.070 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C(=O)c2cccc(C(N)=O)n2)CC1 1011288667 IMCBOTPECJOHQZ-JTQLQIEISA-N 315.333 -0.375 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C(=O)c2cn(C)ccc2=O)CC1 1011761451 LXWRIUSOMFPFSD-LLVKDONJSA-N 302.334 -0.171 30 20 DBED C[C@H]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)CN1C(=O)CC(N)=O 1012408200 OLNGRLIUFRJJEI-GZMMTYOYSA-N 303.322 -0.519 30 20 DBED C=CCN[C@H]1C[C@@H](NC(=O)Cn2ncn3nccc3c2=O)C1 1022799677 WIMGIWRVTONRBS-PHIMTYICSA-N 302.338 -0.686 30 20 DBED CCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2O)c(C)n1 1023732941 ULWNLXMUJQTXQD-OASPWFOLSA-N 319.365 -0.327 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2[C@H]3C[C@H]2N(CC(=O)N(C)C)C3)cn1 1037680157 OZFRFONWJWFGRC-JGGQBBKZSA-N 312.373 -0.046 30 20 DBED CC[C@H]1CN(C(=O)Cn2nc(C)n(C)c2=O)CC[C@H]1NCC#N 1037963223 PPLKCPHDBJHNGQ-QWHCGFSZSA-N 320.397 -0.370 30 20 DBED Cn1[nH]c(CN2CC[C@H]2CNC(=O)c2cc(C#N)c[nH]2)nc1=O 1038152689 MTJRGSOYCLXLMO-JTQLQIEISA-N 315.337 -0.688 30 20 DBED N#Cc1cccnc1N1CCO[C@@H]2CCN(C(=O)C(N)=O)C[C@@H]21 1040001890 WRGOTUMAXPGAIO-NWDGAFQWSA-N 315.333 -0.755 30 20 DBED C#CCOCCC(=O)N1CC[C@](O)(CNC(=O)[C@H]2CCOC2)C1 1040054621 ZTNCNFVCHBPIHP-BBRMVZONSA-N 324.377 -0.858 30 20 DBED Cc1nc[nH]c1CC(=O)N1CC[C@@](O)(CNC(=O)[C@H](C)C#N)C1 1040758783 BNDWUWPQEJOVMK-MEBBXXQBSA-N 319.365 -0.500 30 20 DBED Cc1cc(C(=O)N2CC[C@](O)(CNC(=O)[C@@H](C)C#N)C2)no1 1040764298 VTRHPVKQDFQRQC-XPTSAGLGSA-N 306.322 -0.164 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2cc(C)no2)C1 1041437162 VQUNDZYYMIMOAC-NSHDSACASA-N 321.333 -0.676 30 20 DBED CC#CCN1CC[C@@]2(CCN(C(=O)Cn3c(O)nnc3O)C2)C1 1041804651 AKZPEVZOAOLTKJ-OAHLLOKOSA-N 319.365 -0.363 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2ccnn2C)C1 1041918927 AUISVPSSXRLFHT-NSHDSACASA-N 322.365 -0.686 30 20 DBED C=C[C@@](C)(CC)C(=O)N1CC(O)(CNC(=O)c2cnnn2C)C1 1042848312 QYRSNUQUWYKYCG-AWEZNQCLSA-N 321.381 -0.280 30 20 DBED CO[C@@H]1CN(c2ncccc2C#N)C[C@H]1NC(=O)c1nc[nH]n1 1042871808 UUXDJSRMEOZZRW-GHMZBOCLSA-N 313.321 -0.295 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)[C@@H](C)SC)C1 1043036921 UEPDJPAGABXESQ-WDEREUQCSA-N 314.407 -0.534 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)c2[nH]c(O)nc2C)C1 1043489399 IUZFBVANRRGQDP-UHFFFAOYSA-N 322.365 -0.061 30 20 DBED C=CCCOCC(=O)NCC1(O)CN(C(=O)[C@H](C)OC)C1 1043565484 NBLHEIRVRQLUFW-NSHDSACASA-N 300.355 -0.697 30 20 DBED C=C(C)C[C@H](C)C(=O)NCC1(O)CN(C(=O)c2cnn(C)n2)C1 1045058570 GJAMJOYUPBUBLU-NSHDSACASA-N 321.381 -0.280 30 20 DBED CC(C)(C)C#CC(=O)N1CC(O)(CNC(=O)c2cccnn2)C1 1045231718 IWRQMANWJMNDTQ-UHFFFAOYSA-N 316.361 -0.171 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)[C@@H](F)C(F)(F)F)C1 1045559428 KJGZQEQGQGICDR-RNFRBKRXSA-N 311.235 -0.264 30 20 DBED C=CCN1CC[C@H](N2CCN(C(=O)[C@H]3COCCN3C)CC2)C1 1046022640 VFARWLNZEUPPNU-JKSUJKDBSA-N 322.453 -0.279 30 20 DBED C#CCN1CCC(C(=O)N[C@]2(C)CCN(CC(=O)NC)C2)CC1 1046849942 MNEKGUSKHCVWFJ-QGZVFWFLSA-N 320.437 -0.342 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(C(N)=O)c2)C1 1047433605 OONWPVJADHTSAQ-KBPBESRZSA-N 301.346 -0.464 30 20 DBED C=C(C)CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@]2(C)CCNC2=O)C1 1047525940 AXTNUCWWVIWPPY-HEHGZKQESA-N 309.410 -0.018 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C(N)=O)s2)C1 1047562378 QEDAZPJZLKTVFL-UWVGGRQHSA-N 307.375 -0.403 30 20 DBED C=C(C)CN1C[C@H](O)[C@@H](N(C)C(=O)Cn2ccccc2=O)C1 1047622759 KTWRCUKFZXUIPU-KBPBESRZSA-N 305.378 -0.072 30 20 DBED COCC(=O)N1CCC[C@@H](N(CCO)c2ccc(C#N)nn2)C1 1049132485 PWJHNQMMHDKVMS-CYBMUJFWSA-N 319.365 -0.216 30 20 DBED C#Cc1ccc(C(=O)N2C[C@@H]3CN([C@@H]4CCNC4=O)C[C@@H]3C2)nc1 1049177696 ISTPRINOUIHTHX-IJEWVQPXSA-N 324.384 -0.045 30 20 DBED Cn1cc(C(=O)N2CCC[C@H]3[C@@H]2CCN3CC#N)n(C)c1=O 1049918610 RSJWCJMRTRLZMM-RYUDHWBXSA-N 303.366 -0.074 30 20 DBED C=CCN1C[C@@H]2CCCN(C(=O)CN3CC(=O)NC3=O)[C@@H]2C1 1050166059 NYOAXENPGXMYCK-NWDGAFQWSA-N 306.366 -0.353 30 20 DBED C#CCCN1CCC2(CC1)CN(C(=O)Cn1c(O)nnc1O)C2 1050741464 KZHUPPCIXSHLSQ-UHFFFAOYSA-N 319.365 -0.363 30 20 DBED C=C(Cl)CN1CCOC[C@@H]1CNC(=O)[C@@H]1CN(C)C(=O)N1 1051064680 RFIYWHGOVGDPLX-QWRGUYRKSA-N 316.789 -0.421 30 20 DBED Cc1nnc(CC(=O)N2CC[C@H](N3CCN(CC#N)CC3)C2)o1 1052023017 PSISHUPAALCHMR-ZDUSSCGKSA-N 318.381 -0.337 30 20 DBED C#CCN1CCN([C@@H]2CCN(C(=O)C3(C(N)=O)CC3)C2)CC1 1052073577 JHJVCIJKMQIMNQ-CYBMUJFWSA-N 304.394 -0.896 30 20 DBED C=CCN1CCN([C@@H]2CCN(C(=O)Cn3cncn3)C2)CC1 1052114814 QDHAILDNQRFFKC-CQSZACIVSA-N 304.398 -0.317 30 20 DBED C[C@]12CN(C(=O)C(N)=O)C[C@H]1CN(c1cncc(C#N)n1)C2 1052546166 JHXNLDNERCHOCD-OTYXRUKQSA-N 300.322 -0.882 30 20 DBED C=CCCN1CC2(C1)CN(C(=O)[C@@H]1CC[C@@H]1C(N)=O)CCO2 1053373209 MOTWSCAZPVOFHQ-QWHCGFSZSA-N 307.394 -0.013 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)[C@@]1(C)CCNC1=O)CCO2 1053425694 FKSRYWZKYLSIKO-HNNXBMFYSA-N 305.378 -0.551 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)c3ccc(C(N)=O)cc3)CO2)C1 1054005160 GLZDTMRUOQYXSS-AWEZNQCLSA-N 313.357 -0.008 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@](CO)(NC(=O)Cc2cnc[nH]2)C1 1056165867 XNATWQUCOFBMGY-XHDPSFHLSA-N 319.365 -0.418 30 20 DBED Cn1cc(C(=O)NC2[C@@H]3CN(c4ccc(C#N)nc4)C[C@@H]23)nn1 1056199688 YOYFQBVSKBNCFO-VXGBXAGGSA-N 309.333 -0.054 30 20 DBED CCn1nncc1C(=O)NC1[C@@H]2CN(c3ccnc(C#N)n3)C[C@@H]12 1056202500 PPPSHYQOQONLFD-NXEZZACHSA-N 324.348 -0.176 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)[C@H]1CC1(F)F 1057504168 SDYWCYDFMVKFRD-SNVBAGLBSA-N 306.309 -0.219 30 20 DBED C#CCOCCC(=O)N(CCO)CCNC(=O)CCOCC 1057581526 TZCXGNGWJAHPBB-UHFFFAOYSA-N 314.382 -0.610 30 20 DBED C=CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)Cc1cnc[nH]1 1057923322 RBTZJDASODGETA-LBPRGKRZSA-N 324.381 -0.520 30 20 DBED Cc1ncc(C(=O)N(CCO)CCNC(=O)C#CC2CC2)n1C 1058499242 YFZCCYIOLZKPDT-UHFFFAOYSA-N 318.377 -0.307 30 20 DBED CN1CC[C@H](C(=O)N[C@H]2CCN(c3cnc(C#N)cn3)C2)C1=O 1058515060 UGQQDMYDDPXNDX-CMPLNLGQSA-N 314.349 -0.479 30 20 DBED C=C[C@@](C)(CC)C(=O)N(CCO)CCNC(=O)c1cn(C)nn1 1058728338 QATOLVAADCGSLQ-HNNXBMFYSA-N 323.397 -0.032 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCOC[C@H]1CNC(=O)COCC 1061242193 MBMYOPHEYANGSP-IUODEOHRSA-N 314.382 -0.306 30 20 DBED Cn1cc(C(=O)NC[C@@H]2CCCN2c2cncc(C#N)n2)nn1 1061349243 SFJCNWQJGIUULN-NSHDSACASA-N 312.337 -0.124 30 20 DBED C=CCO[C@H](C)C(=O)NC[C@H]1COCCN1C(=O)COC 1061667504 HIERZZPMRWIKEV-NEPJUHHUSA-N 300.355 -0.433 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)COCC(F)F 1061720764 SDOWAKUUMRUNEZ-NXEZZACHSA-N 319.308 -0.229 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)c1cnn(C)c1N 1061847250 JVFPGUWQZSZRBS-UWVGGRQHSA-N 320.353 -0.881 30 20 DBED CN(C[C@@H]1CCN(C(=O)CC(N)=O)C1)c1ccc(C#N)nn1 1062098681 AAVXQNCIRKOMNW-JTQLQIEISA-N 302.338 -0.492 30 20 DBED N#Cc1cncc(N2CCO[C@@H](CNC(=O)[C@H]3CCCO3)C2)n1 1063605678 QORFWOZTPCCFTM-QWHCGFSZSA-N 317.349 -0.151 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)CCCOC)CCO1 1064906542 YJLYUQVJVXTNRI-CYBMUJFWSA-N 314.382 -0.041 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2ccon2)CCO1 1064911371 FJQKLZLHWVAYAN-LLVKDONJSA-N 309.322 -0.166 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2cnco2)CCO1 1065383986 AQDVZYQQXADECE-NSHDSACASA-N 309.322 -0.166 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)c2cnon2)CCO1 1065507649 QAHPTMOZDWMNNS-NSHDSACASA-N 306.322 -0.170 30 20 DBED Cn1cc(C(=O)NC2CC(CN=c3cc[nH]c(C#N)n3)C2)nn1 1067845914 MCELHFHBQFISBU-UHFFFAOYSA-N 312.337 -0.481 30 20 DBED CCc1nc(C#N)cc(N2CC[C@H](C)[C@@H](NC(=O)C(N)=O)C2)n1 1067990210 QBXUQXQTPIYHTC-ONGXEEELSA-N 316.365 -0.273 30 20 DBED C#CCOCCC(=O)N1CC2(C1)CN(C(=O)[C@H](C)OC)CCO2 1068327734 UGAARIYZPRDUMV-ZDUSSCGKSA-N 324.377 -0.499 30 20 DBED C=CCOCC(=O)N[C@H]1COC2(C1)CN(C(=O)COCC)C2 1068763697 AEYUPMVNCVFGQQ-GFCCVEGCSA-N 312.366 -0.288 30 20 DBED C[C@@H]1[C@H](Nc2nccnc2C#N)CCN1C(=O)Cn1cnnn1 1068776333 FITDNNAAIDBAGL-NXEZZACHSA-N 313.325 -0.564 30 20 DBED C[C@@H]1[C@@H](N=c2cc[nH]c(C#N)n2)CCN1C(=O)c1ncn(C)n1 1068828161 AXIWUXJPCHFTGC-ZJUUUORDSA-N 312.337 -0.386 30 20 DBED C[C@@H]1[C@H](Nc2ccc(C#N)nn2)CCN1C(=O)c1nnn(C)n1 1068928417 LEFLGELKYQTCDQ-PSASIEDQSA-N 313.325 -0.413 30 20 DBED CCNC(=O)CC(=O)N1CC2(C[C@@H](NC(=O)[C@@H](C)C#N)CO2)C1 1069004666 YFCJEZLKEIBTSW-WDEREUQCSA-N 322.365 -0.842 30 20 DBED C[C@H]1C[C@H](Nc2cncc(C#N)n2)CN1C(=O)Cn1ncnn1 1069153468 ZWBLYWYDEPKUHU-UWVGGRQHSA-N 313.325 -0.564 30 20 DBED C#CCO[C@H](C)C(=O)NC1(CC)CCN(C(=O)C(N)=O)CC1 1069575448 WNOXDMRWTURNMV-LLVKDONJSA-N 309.366 -0.603 30 20 DBED C#CCN1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)C(N)=O)n1 1070605102 APGOXEYCDRZSOR-WDEREUQCSA-N 305.338 -0.971 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CCCN(C(=O)[C@H]2CCCC(=O)N2)C1 1070882681 AGQVLJAHEZCWGP-IJLUTSLNSA-N 306.366 -0.078 30 20 DBED N#CCN1CCNC(=O)CCN(C(=O)[C@H]2CCCOC2)CC1 1070945877 DNZIJJSSDGZLKB-ZDUSSCGKSA-N 308.382 -0.413 30 20 DBED C=CCCN1CCNC(=O)CCN(C(=O)[C@@H]2CCNC2=O)CC1 1070985278 JUUBQFJOEYAFHU-CYBMUJFWSA-N 322.409 -0.651 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CCCN(C(=O)[C@@H]2CCC(=O)N2)C1 1071044817 KVIAOTLEWCYLOC-OLZOCXBDSA-N 303.362 -0.214 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1C 1072014230 NQDKWJLHJDDFQR-VXGBXAGGSA-N 319.365 -0.568 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(C(=O)Cc2nc[nH]n2)C[C@@H]1C 1072776251 VWTFFJMQLCOWIG-NWDGAFQWSA-N 319.365 -0.650 30 20 DBED CC#CCN1CCCO[C@@H](CNC(=O)[C@@H]2CN(CC)CCO2)C1 1073896645 WZOMTCSKBXCDIJ-HOTGVXAUSA-N 323.437 -0.063 30 20 DBED C=CCCOCC(=O)NCC[C@H](C)NC(=O)[C@H]1CCNC1=O 1077064828 GMUJFFBOTAXKRK-RYUDHWBXSA-N 311.382 -0.274 30 20 DBED C=CCN[C@H]1C[C@H]2CC[C@H]1N(C(=O)Cn1c(O)nnc1O)C2 1079094506 MMAKTPGPOGKIAB-OUAUKWLOSA-N 307.354 -0.156 30 20 DBED C=CCCN1C[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@H](C)C1 1079730895 UXAWRKDSCNLINW-GHMZBOCLSA-N 306.370 -0.610 30 20 DBED C[C@@H](C#N)C(=O)NC1(CO)CCN(C(=O)[C@@H]2CCN(C)C2)CC1 1080981915 OTUMIFZHXBCDMP-QWHCGFSZSA-N 322.409 -0.433 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)C2(CF)CC2)C[C@H]1O 1081344751 URMBLHYPVNGRLH-VXGBXAGGSA-N 314.357 -0.126 30 20 DBED Cc1c[nH]nc1C(=O)N1C[C@@H](O)[C@H](CNC(=O)C#CC(C)C)C1 1081462547 BPOJAFWWRUNHDK-CHWSQXEVSA-N 318.377 -0.073 30 20 DBED C#CCCCC(=O)N1C[C@H](CNC(=O)c2cccnn2)[C@@H](O)C1 1081686842 BDSOBCFZMSYRKV-JSGCOSHPSA-N 316.361 -0.171 30 20 DBED C=CCCO[C@H](C)C(=O)N1CCCC[C@H]1CNC(=O)C(N)=O 1081938322 RLLDVTSUYMPHMG-NEPJUHHUSA-N 311.382 -0.050 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@H]2CCc3nc(C)nn3C2)[C@H](OC)C1 1081975056 NIALGXKCUIZUOL-BFHYXJOUSA-N 317.393 -0.402 30 20 DBED CC#CCN1C[C@@H](NC(=O)[C@@H]2COCCN2C(C)=O)[C@H](OC)C1 1082377400 OIQBPDAZYLQLLK-QLFBSQMISA-N 323.393 -0.928 30 20 DBED C=C(C)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)CS(C)(=O)=O 1083014016 NDVCZZVZOBLENN-NWDGAFQWSA-N 302.396 -0.481 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CN1CCOCC1 1083055020 QQSXNMZESVAWEV-LSDHHAIUSA-N 307.394 -0.747 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CN(CC)CCO1 1083281014 QTMMMLCJIATFGL-XHSDSOJGSA-N 321.421 -0.358 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCCN(C(N)=O)C2)C1 1083620075 SWAQTXDHDZWDFG-UPJWGTAASA-N 310.398 -0.486 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)c2ccn(CCOC)n2)C1 1083629975 VKLOLNWUJRZGPC-KGLIPLIRSA-N 308.382 -0.120 30 20 DBED N#CCN1CC[C@@H]2CN(C(=O)[C@H]3CCS(=O)(=O)C3)C[C@@H]2C1 1088032664 YKOCFEITGJEIGB-AGIUHOORSA-N 311.407 -0.275 30 20 DBED CC#CCN1CC[C@H](NC(=O)Cn2nc(C)n(C)c2=O)[C@H]1C 1089015260 MTIWFQSEXXXNDQ-YPMHNXCESA-N 305.382 -0.507 30 20 DBED CC(C)[C@@H](O)C(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@H]1O 1090408672 ZARQNOWXLQUWID-MRVWCRGKSA-N 304.350 -0.364 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(c2nccc(OC)n2)C[C@H]1O 1090494336 BMTSQPTYJLBBJN-VXGBXAGGSA-N 320.349 -0.809 30 20 DBED CC(C)(C(N)=O)C(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@H]1O 1090502270 MIPJBUOGWOORMV-ZYHUDNBSSA-N 317.349 -0.870 30 20 DBED CN(C)CCC(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@@H]1O 1091177361 ALVCTSRZEMDZGM-KGLIPLIRSA-N 303.366 -0.429 30 20 DBED C=CCn1cc(C(=O)NCC2CC(N[C@H](C)C(N)=O)C2)nn1 1091271357 CTSRXEHRJAHBIL-KPPDAEKUSA-N 306.370 -0.564 30 20 DBED CCCOCC(=O)N[C@@H]1CCN(c2cnc(C#N)cn2)C[C@@H]1O 1092143838 VANZDXNEZBRDIH-OLZOCXBDSA-N 319.365 -0.169 30 20 DBED C[C@H](NC(N)=O)C(=O)NCC1CC(Nc2cncc(C#N)n2)C1 1092209327 AIDDUYHOEYJDLH-IDKOKCKLSA-N 317.353 -0.288 30 20 DBED N#Cc1cnc(N2C[C@H]3C(NC(=O)CCn4cncn4)[C@@H]3C2)cn1 1093212590 JFULZKJOQVWHMK-VXGBXAGGSA-N 324.348 -0.419 30 20 DBED CC(C)(C(N)=O)C(=O)NC1[C@H]2CN(c3ccc(C#N)nn3)C[C@H]12 1093316354 MYRYNFVGECFVOF-UWVGGRQHSA-N 314.349 -0.589 30 20 DBED C=CCOCC(=O)NCCNc1nc(O)c2cnn(C)c2n1 1093555389 OLBSMROWIUXZSJ-UHFFFAOYSA-N 306.326 -0.200 30 20 DBED CN1C(=O)CCC[C@@H]1C(=O)NCCN=c1cc[nH]cc1C#N 1093785191 AFBGGFDSYTTWBR-CYBMUJFWSA-N 301.350 -0.086 30 20 DBED Cn1nnc2c(C(=O)NCCNc3nccnc3C#N)ccnc21 1094072445 KWSBFEVSFADERF-UHFFFAOYSA-N 323.320 -0.133 30 20 DBED C#CCN1CC(n2cc(CNC(=O)[C@@H]3C[C@@H](C)CO3)nn2)C1 1094306409 DCFAACIHGZCCCJ-RISCZKNCSA-N 303.366 -0.191 30 20 DBED N#CCN1CC(N2C[C@@H](NC(=O)C[C@H]3CCCO3)CC2=O)C1 1094710150 QQAHEDUHOZZYTD-WCQYABFASA-N 306.366 -0.520 30 20 DBED COc1ccc(C(=O)N[C@@H]2CC(=O)N(C3CN(CC#N)C3)C2)o1 1094803195 IZZBSDOOLJUTOW-SNVBAGLBSA-N 318.333 -0.173 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)Cc3ncc[nH]3)CC2=O)C1 1094804452 WXSVEPFWAIPXPW-NSHDSACASA-N 303.366 -0.461 30 20 DBED CNC(=O)C1(C(=O)N2CC[C@@H](N=c3cc[nH]c(C#N)n3)C2)CC1 1095048151 UEPDIKSWIGCQJS-SNVBAGLBSA-N 314.349 -0.691 30 20 DBED CNC(=O)NCC(=O)N1CCC(Nc2ccc(C#N)nn2)CC1 1095250244 MCKMKPIAVGUMHR-UHFFFAOYSA-N 317.353 -0.320 30 20 DBED N#Cc1nccnc1N1CCC(NC(=O)CNC(N)=O)CC1 1095388528 JDHCGSBWEVUICT-UHFFFAOYSA-N 303.326 -0.898 30 20 DBED Cc1cc(C#N)nc(N(C)CCCNC(=O)Cn2cnnn2)n1 1095485137 DXQKBFNAXAORRC-UHFFFAOYSA-N 315.341 -0.714 30 20 DBED CC(C)(C(N)=O)C(=O)N[C@H]1CCN(c2cncc(C#N)n2)C1 1096444195 BWJPVAYMFPFXBV-VIFPVBQESA-N 302.338 -0.445 30 20 DBED CC(=O)N[C@@H](C)C(=O)N[C@H]1C[C@H](N=c2cc[nH]cc2C#N)C1 1096986647 GRKPLSSKBWIAFE-XDTLVQLUSA-N 301.350 -0.041 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1C[C@@H](Nc2cc(F)ncn2)C1 1097175703 FMPSRRGIMSNKCZ-AOOOYVTPSA-N 305.313 -0.186 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H](C)Nc1cc(C)nc(CO)n1 1097768314 JSNIZIJERHQISX-LLVKDONJSA-N 319.365 -0.667 30 20 DBED N#CCN[C@@H]1CN(C(=O)[C@@H]2COC(=O)N2)C[C@H]1C(F)(F)F 1099244695 NYJVFVWUWAFBBI-PRJMDXOYSA-N 306.244 -0.403 30 20 DBED C[C@@H](CCNC(=O)[C@H]1CN(C)C(=O)N1)Nc1nccnc1C#N 1099617585 VZRWSHLGUDCADF-GXSJLCMTSA-N 317.353 -0.321 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)c2cnc(C)[nH]2)[C@H](O)C1 1099728114 VUWFCBCFZDNKSP-DGCLKSJQSA-N 321.381 -0.815 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CCN(CC2CCCC2)C[C@H]1O 1099789516 NSCGHUWBSYAOFE-LSDHHAIUSA-N 321.421 -0.133 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)c2cnn(CC)n2)[C@H](O)C1 1099801855 LJCORWOWZLYDRV-TZMCWYRMSA-N 323.397 -0.334 30 20 DBED C#CCCN1CC[C@H](NC(=O)COc2cnn(C)c2)[C@@H](O)C1 1099971227 CYYJBHCFUGGBOJ-KBPBESRZSA-N 306.366 -0.626 30 20 DBED CC#CCN1CC[C@@H](NC(=O)C(C)(C)S(C)(=O)=O)[C@H](O)C1 1100022072 GVJABGCRWVXOAQ-VXGBXAGGSA-N 316.423 -0.616 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CCC(=O)NCCC)[C@@H](O)C1 1100079373 YFODOSIDHIPGLA-KGLIPLIRSA-N 309.410 -0.133 30 20 DBED C=CCN1CC[C@@H](NC(=O)CNC(=O)c2ccccn2)[C@@H](O)C1 1100124526 JHRCHOBAKOCYBI-OCCSQVGLSA-N 318.377 -0.451 30 20 DBED Cc1nc(O)[nH]c1C(=O)NCCN(C)c1cnc(C#N)cn1 1100189605 QVJINCNSNYVYCF-UHFFFAOYSA-N 301.310 -0.048 30 20 DBED C#CCOCCC(=O)NCC1CC(NCc2nnnn2C)C1 1100325103 SGCXGLANMADFNZ-UHFFFAOYSA-N 306.370 -0.766 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CC(CNC(=O)c2ccnnc2)C1 1100703753 SLMUQHFBQSUAEU-LKSINWNRSA-N 315.377 -0.288 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)CCc2cn[nH]c2)C1 1100745896 XPODVBWGVYKPQI-UHFFFAOYSA-N 317.393 -0.424 30 20 DBED C=CCNC(=O)CNC1CC(CNC(=O)c2cnn(C)n2)C1 1100756793 OLWXZXDPGRWZMO-UHFFFAOYSA-N 306.370 -0.785 30 20 DBED CC#CCN1C[C@@H](C)[C@H](CNC(=O)C[C@H]2CC(=O)NC2=O)C1 1102621735 OEQUDPNXOWQDAC-FRRDWIJNSA-N 305.378 -0.253 30 20 DBED CC[C@H](CNC(=O)[C@H](C)NC(N)=O)N=c1cc[nH]c(C#N)n1 1103045707 DIZQLDWAESINLY-DTWKUNHWSA-N 305.342 -0.866 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H](C)CNc1nccnc1F 1103956506 SLQLPOKHQLHDIU-SNVBAGLBSA-N 307.329 -0.081 30 20 DBED C[C@@H]1CN(C(=O)CCNS(C)(=O)=O)C[C@H]1CCNCC#N 1104258145 WBYQEFCZACLDAH-VXGBXAGGSA-N 316.427 -0.477 30 20 DBED CC#CCNCC[C@@H]1CN(C(=O)C[C@@H]2NC(=O)NC2=O)C[C@H]1C 1104304563 QBUXJHFMXNUTBM-UPJWGTAASA-N 320.393 -0.318 30 20 DBED C#CCNCc1cn(C2CN(C(=O)c3ccc(C)nn3)C2)nn1 1105235783 SJTBPRUMVTXJDC-UHFFFAOYSA-N 311.349 -0.204 30 20 DBED Cc1ccc(C(=O)NC[C@@H](O)CN=c2cc[nH]cc2C#N)nn1 1105826379 DLHHFWXMHRMQPT-LBPRGKRZSA-N 312.333 -0.324 30 20 DBED Cc1ccc(C(=O)NC[C@@H](O)CNc2ccc(C#N)nn2)nn1 1105827261 QOTFVUQIKSERSP-NSHDSACASA-N 313.321 -0.351 30 20 DBED CN1CC[C@H](CC(=O)NC[C@@H](O)CN=c2cc[nH]cc2C#N)C1 1105913664 GKPMSDQGNYSGGA-OCCSQVGLSA-N 317.393 -0.394 30 20 DBED C[C@@H]1CN(C(=O)[C@H]2CC2(F)F)C[C@H]1CNCC(=O)NCC#N 1106089792 UWWOCPLMDUNMHC-GMTAPVOTSA-N 314.336 -0.035 30 20 DBED Cc1ccc(C#N)c(NC[C@H](O)CNC(=O)C2(C(N)=O)CC2)n1 1106097414 GSRGCVYBIUCSRG-NSHDSACASA-N 317.349 -0.584 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)C[C@H]2CCNC2=O)C[C@H]1C 1106243222 ZUGUUVPPTFESTI-RBSFLKMASA-N 321.421 -0.154 30 20 DBED C=CCNC[C@@H]1CN(C(=O)[C@H](C)NS(C)(=O)=O)C[C@H]1C 1106703300 HQAUCGOBOOAAIB-GRYCIOLGSA-N 303.428 -0.206 30 20 DBED COC(=O)[C@@H]1C[C@@H]1C(=O)NC/C=C\CN=c1cc[nH]c(C#N)n1 1107080323 LXRXEBLRCFZAAG-MMJBKMRYSA-N 315.333 -0.336 30 20 DBED C=CCN1CC(n2cc(CNC(=O)CCCCC(N)=O)nn2)C1 1107227999 WWDDKOFSHFPLPZ-UHFFFAOYSA-N 320.397 -0.017 30 20 DBED C#CCN1CC(n2cc(CNC(=O)Cc3[nH]cnc3C)nn2)C1 1107233031 AGWKGGJCEGYLJL-UHFFFAOYSA-N 313.365 -0.342 30 20 DBED C[C@@]1(CNC(=O)[C@H]2CCCO2)CN(CC(=O)NCC#N)CCO1 1107718974 UHYHREWGEKXZRT-IUODEOHRSA-N 324.381 -0.988 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)c1nc2ncccn2n1 1107885640 GIJJTWKSZXNFLA-SECBINFHSA-N 323.320 -0.562 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)[C@H]2CCC(=O)N(C)C2)C1 1108422518 VUFSUTHPNBNUJI-XJKSGUPXSA-N 307.394 -0.305 30 20 DBED C=CCCN1CCO[C@](C)(CNC(=O)C[C@@H]2CC(=O)NC2=O)C1 1108446626 FBWGPMICAWKPHJ-MLGOLLRUSA-N 323.393 -0.178 30 20 DBED C=C(C)CN1CC(N2C[C@H](NC(=O)CNC(=O)CC)CC2=O)C1 1108524025 XQORIOSTJBBELD-GFCCVEGCSA-N 322.409 -0.510 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CC(=O)N(C2CN(CC3CC3)C2)C1 1108546232 RJAFCBNUZBZUOW-GXTWGEPZSA-N 319.405 -0.164 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1[C@H]2C[C@H]1N(c1ccc(C#N)cn1)C2 1109704482 UQNCLIXZNZFFTK-OGHNNQOOSA-N 323.356 -0.214 30 20 DBED COC(=O)NCC(=O)N[C@H](CN=c1cc[nH]c(C#N)n1)C1CC1 1109773617 BPMBZNHWGLYTDD-SNVBAGLBSA-N 318.337 -0.567 30 20 DBED N#Cc1ccc(NC2(CNC(=O)[C@@H]3CCNC(=O)C3)CC2)nn1 1110120824 YCVCHSYCFOYJIU-SNVBAGLBSA-N 314.349 -0.065 30 20 DBED CN1CC[C@H](C(=O)NCC2(Nc3nccnc3C#N)CC2)C1=O 1110306882 FHEWSLKXHCQFMN-SNVBAGLBSA-N 314.349 -0.113 30 20 DBED C[C@@H](C#N)C(=O)N[C@@]1(C)CCN(c2ccc3nnnn3n2)C1 1110735499 FSHFLCCVCCRFPV-ZANVPECISA-N 300.326 -0.236 30 20 DBED N#Cc1cnc(NCCN(CCO)C(=O)Cn2cccn2)cn1 1111418767 XKFPGNMQGGBYMI-UHFFFAOYSA-N 315.337 -0.522 30 20 DBED CN(C)CCCC(=O)N(CCO)CCN=c1cc[nH]c(C#N)n1 1111552187 XYZUFTKNQJMBPY-UHFFFAOYSA-N 320.397 -0.655 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)[C@@H]2CCNC(=O)C2)CC1 1112765906 DZXNTYWBSQSFJS-CHWSQXEVSA-N 322.409 -0.653 30 20 DBED C[C@H](NC(=O)Cn1cnnn1)[C@@H](C)Nc1nccnc1C#N 1112905141 IWKGBFFCZZCYSG-DTWKUNHWSA-N 301.314 -0.660 30 20 DBED CN(C)CC1(C(=O)N2CCN(CC(=O)NCC#N)CC2)CC1 1113265360 OSTSEFJIQJHCLN-UHFFFAOYSA-N 307.398 -0.888 30 20 DBED C[C@@H](CNC(=O)c1cnn(C)n1)N(C)c1nccnc1C#N 1113652187 RTMDVDYQJYMQCA-VIFPVBQESA-N 300.326 -0.269 30 20 DBED CNC(=O)C1(C(=O)NC[C@H](C)N(C)c2cncc(C#N)n2)CC1 1113660807 SCNZGGSJFWBHAQ-JTQLQIEISA-N 316.365 -0.185 30 20 DBED COCC#CCN1CCN(C(=O)[C@H]2CCCN2C(C)=O)CC1 1113695003 HNNMWKAOIWIXLL-OAHLLOKOSA-N 307.394 -0.209 30 20 DBED C=CCOCC(=O)N[C@H]1[C@@H]2CN(Cc3nnnn3CCC)C[C@@H]21 1114047525 HLOJCXHURGSBGV-JYAVWHMHSA-N 320.397 -0.168 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)c3ccn(C)c3)[C@H]2C1 1114138000 AHVVPFFRSZKBBJ-RZFFKMDDSA-N 314.389 -0.177 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)C[C@H]3COC(=O)C3)[C@@H]2C1 1114138710 GQIXCKYCNNDEFU-JHJVBQTASA-N 306.362 -0.364 30 20 DBED C#CCO[C@H](C)C(=O)NC1[C@@H]2CN(CC(=O)N(C)C(C)C)C[C@@H]12 1114271189 QSQCGLCOAMKHEU-MGPQQGTHSA-N 321.421 -0.062 30 20 DBED Cc1n[nH]cc1C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1114658822 XPNZXUWNSKSQHH-PJXYFTJBSA-N 302.338 -0.982 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)c3[nH]nnc3C)[C@@H]2C1 1114659726 DXNJCFIVRZFNQI-NXEZZACHSA-N 304.354 -0.925 30 20 DBED C=C(C)C[C@H](C)C(=O)N[C@H]1[C@@H]2CN(CC(=O)NC(N)=O)C[C@@H]21 1114722875 PICBTYIVMXKKSA-MEWQQHAOSA-N 308.382 -0.170 30 20 DBED CC(=O)NCC(=O)N[C@H]1C[C@H](CNc2nccnc2C#N)C1 1114733777 WVAOJTJSXYMPKH-XYPYZODXSA-N 302.338 -0.209 30 20 DBED C[C@@H](CCCN=c1cc[nH]c(C#N)n1)NC(=O)c1ncn(C)n1 1114920111 HZVNJINYJWMXRY-JTQLQIEISA-N 314.353 -0.091 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H]1[C@@H]2CN(CC(=O)NC)C[C@@H]21 1114932310 IBNHLFBZEUUXHR-COMQUAJESA-N 322.409 -0.750 30 20 DBED CN(C(=O)CC(N)=O)[C@@H](CNc1ccc(C#N)nn1)C1CC1 1115486776 NQDNSXBTDVJVBA-NSHDSACASA-N 302.338 -0.127 30 20 DBED C[C@H](CN(C)C(=O)CN1CCOCC1)Nc1cncc(C#N)n1 1115677651 BMZVLGYDDFSTIU-GFCCVEGCSA-N 318.381 -0.061 30 20 DBED C[C@@H](CN(C)C(=O)[C@@H]1COC(=O)N1)Nc1ccc(C#N)nn1 1115702979 PQFRYUFGFDGHPR-WPRPVWTQSA-N 304.310 -0.285 30 20 DBED CC(C)Cc1ncc(NC(=O)C(=O)NCC(=O)NCC#N)cn1 1117416887 SURSBYJYAQYMEC-UHFFFAOYSA-N 318.337 -0.630 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N(C)CC(C)(C)OC 1117633977 LMCBBGQHMMMNSL-UHFFFAOYSA-N 320.411 -0.413 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)C2CCOCC2)nn1 1120985327 AZEOOFKTZRWCOI-LBPRGKRZSA-N 305.338 -0.336 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)c2cnns2)nn1 1121091636 DNVTXHWMGQGNAG-MRVPVSSYSA-N 305.323 -0.597 30 20 DBED N#Cc1cnc(N[C@@H](CO)CNC(=O)Cc2ccc[nH]2)cn1 1121622027 FGBGZMUEAKHJHT-GFCCVEGCSA-N 300.322 -0.192 30 20 DBED CC(=O)NC(C)(C)C(=O)NC[C@H](CO)Nc1ccc(C#N)nc1 1121777940 NVGORTVEXUVGSI-CYBMUJFWSA-N 319.365 -0.243 30 20 DBED COCCCOCC(=O)NC[C@H](CO)Nc1ncccc1C#N 1122053214 WMLUKQULFCWXIP-CYBMUJFWSA-N 322.365 -0.105 30 20 DBED Cn1c(C(=O)NC[C@H](CO)N=c2cc[nH]cc2C#N)cnc1O 1122305430 XHNCKHWALZJJTP-SNVBAGLBSA-N 316.321 -0.983 30 20 DBED Cc1nsc(N[C@@H](CO)CNC(=O)c2nnn(C)n2)c1C#N 1122332057 BZJCYVDTJFKWDR-SSDOTTSWSA-N 322.354 -0.951 30 20 DBED Cc1cc(C#N)nc(NC[C@H](O)CN(C)C(=O)c2cc[nH]n2)n1 1124045449 HOQBVAJGYZIOIT-NSHDSACASA-N 315.337 -0.075 30 20 DBED C=CCOCC(=O)N(C)C[C@@H](O)CNc1cnc(C#N)cn1 1124196396 KYZXIMYZPSYNKP-LBPRGKRZSA-N 305.338 -0.218 30 20 DBED CCN(C)CCC(=O)N(C)C[C@H](O)CN=c1cc[nH]cc1C#N 1124493742 WUIWPMRXXLFXGL-CQSZACIVSA-N 319.409 -0.052 30 20 DBED CN(C[C@@H](O)CN(C)c1ccc(C#N)cn1)C(=O)CC(N)=O 1125023296 AOSZAHBJXCBFMV-NSHDSACASA-N 305.338 -0.916 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)Cc1cc(C)[nH]n1 1125541840 FUJFBLGYHQQBHM-UHFFFAOYSA-N 320.397 -0.271 30 20 DBED C#CCCNC[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)COC)n1 1130173014 BECZEFURMMZQJK-RYUDHWBXSA-N 321.381 -0.447 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)C(C)(C)NC(C)=O)C[C@@]3(C1)O2 1131277154 WADVMVHAGCRZTC-JJRVBVJISA-N 319.405 -0.164 30 20 DBED CC#CCN1CC[C@]2(C1)CN(C(=O)CNC(C)=O)C[C@@H](C)O2 1131623756 AOCIVEMQSOPSEL-CJNGLKHVSA-N 307.394 -0.162 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)COCC(F)F)C1=O 1131769550 XLDHMHVVAHQWHB-JTQLQIEISA-N 305.325 -0.239 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1c[nH]nc1[C@H]1CCOC1 1131907297 IEXGMXMATOAUHH-NSHDSACASA-N 321.381 -0.465 30 20 DBED CC#CCN1C[C@@H](NC(=O)CCNS(C)(=O)=O)CC[C@H]1C 1132079150 UMADZPNADXSYNT-OLZOCXBDSA-N 315.439 -0.082 30 20 DBED C[C@@H](C[C@@H](C)NCC(=O)NCC#N)NC(=O)Cc1ccon1 1133990276 RKKWRQHAEDTSNS-MNOVXSKESA-N 307.354 -0.270 30 20 DBED C=CCCN[C@@H](C)C[C@H](C)NC(=O)CNS(=O)(=O)N(C)C 1135568314 LDUMGLUAPRCKHV-RYUDHWBXSA-N 320.459 -0.169 30 20 DBED C[C@@H](C[C@@H](C)NCC#N)NC(=O)C(C)(C)NS(C)(=O)=O 1135639237 JQTHZTPOIQLYNH-ZJUUUORDSA-N 304.416 -0.289 30 20 DBED CCS(=O)(=O)N(C)CC(=O)N[C@@H](C)C[C@H](C)NCC#N 1135820436 AWFYPGRXYKPSJB-QWRGUYRKSA-N 304.416 -0.336 30 20 DBED C[C@@H]1CCc2onc(C(=O)NCCNCC(=O)NCC#N)c2C1 1146326660 NERFSFQPXHVHQD-SNVBAGLBSA-N 319.365 -0.241 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)CCCC(=O)NCC 1148192850 XOHJTUDUZUIHSY-LBPRGKRZSA-N 310.398 -0.864 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CN(Cc2nncn2C)CCCO1 1149397415 AZWQEPVOPQQXOH-VXGBXAGGSA-N 306.370 -0.318 30 20 DBED C#CCOCCC(=O)NC[C@H]1CN([C@@H]2CCNC2=O)CCCO1 1149721264 LETMKBGSKKQEGH-UONOGXRCSA-N 323.393 -0.878 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@H](CC)N1CCCC1=O 1151540465 PKDRMVUHCQEUBU-OLZOCXBDSA-N 324.425 -0.216 30 20 DBED CCn1nc(C)cc1C(=O)NCCCNCC(=O)NCC#N 1167264664 ZSHBUAZYELEARL-UHFFFAOYSA-N 306.370 -0.439 30 20 DBED C#CCNCCCC[C@H](C)NC(=O)CC[C@H]1NC(=O)NC1=O 1176487897 XKHZSLGOBBWBKZ-NWDGAFQWSA-N 308.382 -0.128 30 20 DBED C=C(Cl)CN1CCO[C@H]2CCN(C(=O)CNC(N)=O)C[C@@H]21 1176912319 IIIFOKPYUYJVAM-QWRGUYRKSA-N 316.789 -0.291 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CCC(=O)N2)[C@H]1C 1178351274 KHQVYHNDYNSEED-SDDRHHMPSA-N 308.382 -0.854 30 20 DBED C[C@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)C[C@](C)(O)C1CC1 1178486063 XRFQYZHDBWDERE-RBOXIYTFSA-N 322.409 -0.244 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2n[nH]c(C)c2O)C1 1182041877 COTMEVNDTBXVKU-GHMZBOCLSA-N 319.365 -0.634 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CN3CCC2CC3)C1 1182623077 DOGSHPJFCVCUAC-CABCVRRESA-N 318.421 -0.732 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)CC(N)=O)CC12CCOCC2 1186311433 SVGQYHQIYJPWEN-CYBMUJFWSA-N 307.394 -0.270 30 20 DBED C#CCCN[C@@H]1CCN(C(=O)CN2C(=O)NC(C)(C)C2=O)C1 1187594720 BFDMHLSKIXONFE-LLVKDONJSA-N 306.366 -0.469 30 20 DBED CC[C@@H](C)C(=O)NCC(=O)N1CC[C@@H](NCC#CCOC)C1 1187902876 YNCVONWNDPYZOL-ZIAGYGMSSA-N 309.410 -0.011 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@@H](N(C)CCOCCO)C1 1190725776 RLLANSNHOGMUSJ-CVEARBPZSA-N 323.437 -0.374 30 20 DBED C=CCOCC(=O)N[C@@H]1CN([C@H](C)c2csnn2)C[C@H]1O 1191777030 CXLJHYRLVSBHSE-CKYFFXLPSA-N 312.395 -0.037 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)c2n[nH]c(C)c2C)C1 1191935496 BUWZWJIHOINJRN-CHWSQXEVSA-N 306.366 -0.549 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2cncc(F)c2)C1 1192137908 WSZWAPNJWMOSDG-CHWSQXEVSA-N 322.340 -0.702 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@H]1CCN(C(=O)c2nc[nH]n2)C1 1192933449 IJCQIYFBLCDMPI-QWRGUYRKSA-N 304.354 -0.911 30 20 DBED CN(CC(=O)NCC#N)[C@@H]1CCN(C(=O)c2nccs2)C1 1192999080 QIYJJTZZHXNMGW-SNVBAGLBSA-N 307.379 -0.071 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC[C@@H](N(C)Cc2nnn(C)n2)C1 1194397498 WKWWANRTBVBSNW-NWDGAFQWSA-N 308.386 -0.166 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)CCNC(=O)c2ccco2)C1 1198452202 ZIHXQXRSAJIHAA-GHMZBOCLSA-N 306.322 -0.916 30 20 DBED C#CCN[C@H](CNC(=O)c1nnn(C)n1)c1ccccc1OC 1198834054 HAPWLVUIZHOSFK-GFCCVEGCSA-N 314.349 -0.087 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)C2=COCCO2)CC1 1199187742 WHOWLEJYKKXYFQ-UHFFFAOYSA-N 309.366 -0.243 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCC(NCC(=O)NCC#N)CC1 1200324625 BTGGHXOATDNTKY-OAHLLOKOSA-N 308.382 -0.466 30 20 DBED C#CCNC[C@@H]1CN(C(=O)CC(=O)NCC2CC2)CCCO1 1201823247 IBTTXZJSHNZDGS-CQSZACIVSA-N 307.394 -0.257 30 20 DBED C=CCOCCNCC1CCN(C(=O)CNC(=O)NC)CC1 1205425364 POUHHJVQOODPBB-UHFFFAOYSA-N 312.414 -0.054 30 20 DBED Cn1cc(C(=O)N2CCC[C@@H](NCC(=O)NCC#N)C2)cn1 1207242741 QAAHEDVRYLLRRG-GFCCVEGCSA-N 304.354 -0.746 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)c1cncn1C 1207874573 PHUYIULXBWKLMX-GHMZBOCLSA-N 304.354 -0.890 30 20 DBED C#CCCN[C@@H]1CCCN(C(=O)CCS(=O)(=O)NC)C1 1208038854 QKDLZUPQOJSOHU-GFCCVEGCSA-N 301.412 -0.470 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCN(C(=O)c2cncnc2O)C1 1208393122 JSQXGTPDNAFBHR-SNVBAGLBSA-N 318.337 -0.984 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)c1ccc(O)nc1 1210728980 AQRHYLFFKSPRCD-ZYHUDNBSSA-N 317.349 -0.523 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)C2=COCCC2)[C@H](OC)C1 1211996960 ACOUBTBZSOGSOR-ZIAGYGMSSA-N 321.377 -0.755 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(CC#CCOC)C[C@H]1OC 1212262595 UFFZWJQKZGBANL-HUUCEWRRSA-N 308.378 -0.509 30 20 DBED C[C@@H]1CN(C(=O)CCCn2c(O)nnc2O)C[C@H]1NCC#N 1215017544 JEBBUAQANKHNGK-NXEZZACHSA-N 308.342 -0.570 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](NC(=O)C(=O)NCC(F)F)C1 1219925943 CNMRIUPPZPGNKS-ZJUUUORDSA-N 305.325 -0.505 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)CCc2nccn2C)C1 1220053343 HVJQLFOSTNDSKY-KGLIPLIRSA-N 322.409 -0.283 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2cc(C)[nH]c2C)C1 1220427786 OJDCDCOCADWQFI-KGLIPLIRSA-N 318.377 -0.844 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCC[C@H](NCc2nnn(C)n2)C1 1222067873 MWNYBRRGYHBVND-RYUDHWBXSA-N 308.386 -0.118 30 20 DBED C#CCNC(=O)CC(=O)NCC1CCN([C@H](CC)C(N)=O)CC1 1222908177 UWDDUOSEUGCIOV-CYBMUJFWSA-N 322.409 -0.782 30 20 DBED CN(C)CCC(=O)N1CC[C@H]2CCN(CC(=O)NCC#N)[C@H]2C1 1223431430 ZVRVJDBZKBIODX-KGLIPLIRSA-N 321.425 -0.499 30 20 DBED C=CCN1CCC(CNC(=O)CNC(=O)Cn2cncn2)CC1 1225557636 QCZIVPSNGFALAR-UHFFFAOYSA-N 320.397 -0.592 30 20 DBED CC#CCN[C@@H]1CCCC[C@H]1NC(=O)CNC(=O)CNC(C)=O 1227135586 KSIIFWQJWTYMQQ-ZIAGYGMSSA-N 322.409 -0.721 30 20 DBED C[C@H](C#N)C(=O)N(C)C[C@H]1CCN1CCN1C(=O)CNC1=O 1231292057 AVPPRKPMPBLSBF-GHMZBOCLSA-N 307.354 -0.769 30 20 DBED C=CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCNC(=O)C1 1233611253 ODXRJANQIGPPGC-CHWSQXEVSA-N 322.409 -0.653 30 20 DBED C#CCSCCNC(=O)C(=O)Nc1cnn(CC(=O)NC)c1 1319961010 WHMGBMYNVMUQKA-UHFFFAOYSA-N 323.378 -0.950 30 20 DBED CCS(=O)(=O)Nc1cccc(C(=O)NCC(=O)NCC#N)c1 1322790500 VPBLILOGBVJJJG-UHFFFAOYSA-N 324.362 -0.182 30 20 DBED CNC(=O)[C@H]1CN(C(=O)NC2CCN(CC#N)CC2)CCO1 1323642599 SSGAWTWGGCWQJX-GFCCVEGCSA-N 309.370 -0.869 30 20 DBED CC(C)C[C@@H](CCO)CNC(=O)C(=O)N1CCO[C@H](C#N)C1 1327211644 PYCRJEOCRDZMHM-CHWSQXEVSA-N 311.382 -0.102 30 20 DBED C#CCSCCNC(=O)C(=O)N[C@@H]1C[C@@H]2CCCCN2C1=O 1327682781 HHBFDJBZTYJXTC-NWDGAFQWSA-N 323.418 -0.261 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N[C@H]2CCN(C)[C@H](C)C2)nn1 1328080644 MBPWRYGOKYUJPN-NEPJUHHUSA-N 320.397 -0.321 30 20 DBED N#CCCN1CCN(C(=O)C(=O)N2CCO[C@@H]3CCC[C@@H]32)CC1 1329506979 FEHLEXHFQDMUOA-UONOGXRCSA-N 320.393 -0.176 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](CN)C2)CCN1C1CC1 1332117619 XDMRCAZHYYNYCX-GXTWGEPZSA-N 319.409 -0.618 30 20 DBED C=CCn1c([C@H](O)COC)nnc1N1CCN2CCOC[C@H]2C1 1356192292 HJFZZMIYSLPLTN-CHWSQXEVSA-N 323.397 -0.335 30 20 DBED C[C@@H]1C[C@@H](CNC(=O)Cn2cc(C#N)c(O)nc2=O)CCO1 1362555014 KCNNVYQBCWAAJC-ZJUUUORDSA-N 306.322 -0.248 30 20 DBED N#Cc1ccc(C(=O)N2CCC(C(=O)NCCO)CC2)nc1 1363366813 PQOZWHIHHVFIDU-UHFFFAOYSA-N 302.334 -0.086 30 20 DBED C=C(Cl)CNC[C@H](O)CNC(=O)[C@H](C)CN1CCOCC1 1367622980 IISCLDTZRJPXDS-YPMHNXCESA-N 319.833 -0.226 30 20 DBED CNC(=O)NC(=O)[C@H](C)NC[C@H](C)NC(=O)c1cc(C#N)c[nH]1 1374874552 SFRJFXKYWNHKPR-IUCAKERBSA-N 320.353 -0.562 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1C[C@@H](NC(=O)CN2CCOCC2=O)C1 1384545392 GVRGIMOPKPEBKD-SDDRHHMPSA-N 322.365 -0.984 30 20 DBED C[C@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)[C@H]1COCCO1 1386716722 VPDJPESXEFRAPU-BXKDBHETSA-N 306.322 -0.464 30 20 DBED C[C@H](CCNC(=O)C(C)(C)S(C)(=O)=O)NC(=O)[C@H](C)C#N 1386775050 MKHHDNLUKPWUQT-NXEZZACHSA-N 317.411 -0.020 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCN1CCN(Cc2nc(O)n[nH]2)CC1 1391329148 CQQTYXXIGLEAOZ-NSHDSACASA-N 321.385 -0.754 30 20 DBED COc1cc(C(=O)NC[C@@H](O)CNC(=O)[C@H](C)C#N)sn1 1392100004 BEWVCSBMXUBMCB-SFYZADRCSA-N 312.351 -0.482 30 20 DBED C=C(Cl)CNC[C@H](O)CN(C)C(=O)c1cc(C(N)=O)c[nH]1 1394753400 DJNQWMVOQICGBN-JTQLQIEISA-N 314.773 -0.111 30 20 DBED C[C@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)CN1CCOCC1 1397410384 UHJNRUXMEKWAHK-LLVKDONJSA-N 319.365 -0.547 30 20 DBED COCC1(C(=O)N2CCN(CCNC(=O)[C@@H](C)C#N)CC2)CC1 1407445058 DYRCXOKQCSVIQF-ZDUSSCGKSA-N 322.409 -0.167 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2CCNC(=O)C2)C1 1414214094 ADMAYXDHEVVXCU-NNYUYHANSA-N 306.366 -0.317 30 20 DBED C[C@@H](C#N)C(=O)NC1CN(C(=O)C2(NC(N)=O)CCCCC2)C1 1416048406 XKJVSCHTVUSRGG-JTQLQIEISA-N 321.381 -0.156 30 20 DBED C[C@H](CNc1[nH]c(=O)n(C)c(=O)c1C#N)N1CCCCC1=O 1421132346 QTEIUFPOJARQDD-SECBINFHSA-N 305.338 -0.242 30 20 DBED CCN(CCN[C@H](C)C(=O)NC(=O)NC1CC1)C(=O)[C@@H](C)C#N 1422429553 SWZOUUFNECOUCH-WDEREUQCSA-N 323.397 -0.039 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)COCc1ccncc1 1431576801 UBEVHBVIZXGWJB-YPMHNXCESA-N 320.349 -0.649 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CCN(C(=O)c2ccc3nnnn3c2)C1 1446555207 YSENKIQDPUGBLK-MWLCHTKSSA-N 313.321 -0.385 30 20 DBED CON1CCC(N(C)C(=O)Cn2cc(C#N)c(O)nc2=O)CC1 1450977371 JCLVVBXAYKPGDW-UHFFFAOYSA-N 321.337 -0.695 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N2CC[C@]3(CCOC3=O)C2)CCO1 1475801769 WMJIDBSMKZLYHI-PWSUYJOCSA-N 315.351 -0.905 30 20 DBED C=C(C)CN(CC)C(=O)CN1CCC[C@@H](NC(=O)CC(N)=O)C1 1494262002 IBPBHIFZHDYPHT-CYBMUJFWSA-N 324.425 -0.133 30 20 DBED CCC(=O)NCC(=O)NC[C@H](C)N(C)C(=O)c1ccc(C#N)[nH]1 1508784545 RGPFGGVOBZIORS-JTQLQIEISA-N 319.365 -0.011 30 20 DBED C[C@@H](CNC(=O)[C@H](C)C#N)CNC(=O)C(C)(C)S(C)(=O)=O 1532329511 QFLZNBYQKAODLK-VHSXEESVSA-N 317.411 -0.162 30 20 DBED C#CCn1ccc(CN(CCOC)C(=O)CC2(O)CNC2)n1 1574759087 GGCVFTDWVDQYSI-UHFFFAOYSA-N 306.366 -0.784 30 20 DBED C[C@@H](CNC(=O)[C@H](C)C#N)CNc1nccnc1-c1nn[nH]n1 1574838222 YAWFBAQRAMSBNQ-RKDXNWHRSA-N 315.341 -0.019 30 20 DBED CC(C)[C@H](CNC(=O)C(=O)NC1CCN(CC#N)CC1)C(=O)O 1588815762 VPELYHURKWWGQX-LBPRGKRZSA-N 324.381 -0.436 30 20 DBED C=CCNC(=O)CNC(=O)C(=O)Nc1cc(C)[nH]c1C(=O)O 1588844893 YNNCPVJHODTBPJ-UHFFFAOYSA-N 308.294 -0.622 30 20 DBED C=CCOC[C@@H](NC(=O)Cc1nc2ncccn2n1)C(=O)O 1588856682 OPVGLXLXFICCKX-SECBINFHSA-N 305.294 -0.561 30 20 DBED C[C@H](C(=O)Nc1cnn(CC#N)c1)n1cnc(-c2nn[nH]n2)n1 1589022004 UJEGNWUAXZTGIZ-SSDOTTSWSA-N 313.285 -0.622 30 20 DBED C#C[C@@H](NC(=O)C(=O)Nc1cc(C(=O)O)n(C)c1)[C@@H]1CCCO1 1602671382 SBQFNAZYVMNHJD-PWSUYJOCSA-N 319.317 -0.041 30 20 DBED C#C[C@@H](NS(=O)(=O)N(C)CCC(=O)O)C1CCOCC1 1602679168 VFCWZJWSCXFGSB-LLVKDONJSA-N 304.368 -0.344 30 20 DBED COCC[C@@H](COC)Nc1cnc(-c2nn[nH]n2)c(C#N)n1 1605079464 MCWCHSWOYFGQGX-QMMMGPOBSA-N 304.314 -0.008 30 20 DBED N#Cc1cn(CCC(=O)N2CC[C@H](C(=O)O)C2)c(=O)nc1O 1605623010 OMOKFLVZYVACAO-QMMMGPOBSA-N 306.278 -0.856 30 20 DBED C[C@@H]1CCN(S(=O)(=O)N(C)CCC#N)CCS1(=O)=O 1645720685 ZGDCALBVQODTFW-SNVBAGLBSA-N 309.413 -0.414 30 20 DBED CCCc1cc(C(=O)N[C@@H]2CCN(CC(=O)NCC#N)C2)n[nH]1 1731373493 QKMPUHRTNZMACZ-GFCCVEGCSA-N 318.381 -0.194 30 20 DBED C#CCN1CCC2(CC1)C[C@@H]2NC(=O)CN(C)C(=O)COC 1752425888 GPTRQQAYTKSTKY-ZDUSSCGKSA-N 307.394 -0.305 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1C[C@H](NC(=O)c2ncccc2O)C1 1752627494 ISWJSPJXOIUZPH-IJLUTSLNSA-N 316.361 -0.225 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@H]1C[C@@H](NC(=O)c2cn(C)c(O)n2)C1 1752758475 VEIVCVNPRODFMU-MXWKQRLJSA-N 321.381 -0.333 30 20 DBED CCCN(C(=O)COCC)[C@H]1CCN(CC(=O)NCC#N)C1 1753313597 RZDBLHULUQXQOW-ZDUSSCGKSA-N 310.398 -0.024 30 20 DBED C=CCNC(=O)NC(=O)CN1CC(NC(=O)C2CCCC2)C1 1753369192 JXXBCOXJMKQKLC-UHFFFAOYSA-N 308.382 -0.011 30 20 DBED C=CCCOCC(=O)N1C[C@@H]2C[C@H]1CN2[C@@H]1CCC(=O)NC1=O 1753427346 GPNDUAHEUYWKNX-RWMBFGLXSA-N 321.377 -0.331 30 20 DBED C=CCNC(=O)CNCC1(NC(=O)CN(C)C(C)=O)CCCC1 1753500048 QVDSGMAKEXJYJA-UHFFFAOYSA-N 324.425 -0.215 30 20 DBED C#CCNC(=O)CNC[C@H]1CCC[C@@H]1NC(=O)c1ccncn1 1753900026 ROLSKJMVJAXRJY-OLZOCXBDSA-N 315.377 -0.286 30 20 DBED C=CCN1CC[C@H](NC[C@@H](O)CNC(=O)c2coc(C)n2)C1=O 1753908017 DJUPGAQPJYIMGG-NEPJUHHUSA-N 322.365 -0.550 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@@H]1CNC(=O)c1cnn(C)c1 1754471774 DHOCCUWFXGRFIF-DGCLKSJQSA-N 303.366 -0.638 30 20 DBED C=CCNC(=O)[C@H](C)NC1(CNC(=O)[C@H]2CCNC(=O)C2)CC1 1754510469 KTTNJYUWVSMAOU-RYUDHWBXSA-N 322.409 -0.558 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)N(C)C1CN([C@H](C)C(=O)NC)C1 1754583345 UVUDFIJPIZPRJP-BXUZGUMPSA-N 324.425 -0.266 30 20 DBED CC[C@@H](C)NC(=O)[C@@H](C)N1CC(O)(CNC(=O)C#CC2CC2)C1 1754767675 PLAOGZXESJJBJE-CHWSQXEVSA-N 321.421 -0.134 30 20 DBED COCC#CCN1C[C@H]2C[C@@H](NC(=O)Cn3ncnn3)C[C@H]1C2 1754780478 DLARQSNVAGOQES-BFHYXJOUSA-N 318.381 -0.708 30 20 DBED COc1c(O)nc(O)nc1C(=O)N1CC[C@H]([C@@H](C)NCC#N)C1 1754805906 VCPJALBDXSGANV-BDAKNGLRSA-N 321.337 -0.140 30 20 DBED C#CCN1CCC[C@](CO)(NC(=O)c2ccnc3ccnn23)C1 1754856324 JGKHDYBNZYHTPK-INIZCTEOSA-N 313.361 -0.081 30 20 DBED C#CCN1CCC[C@](CO)(NC(=O)c2cc3ncccn3n2)C1 1754858652 FYIUMBBJGGIMLV-INIZCTEOSA-N 313.361 -0.081 30 20 DBED C=C(C)CNCCN(CCO)C(=O)c1cnn2c(=O)cc[nH]c12 1754893105 LBYDXHBYTQYQIC-UHFFFAOYSA-N 319.365 -0.377 30 20 DBED C#CCNC(=O)CN(C)CCCN(C)C(=O)[C@@H]1[C@H]2COC[C@H]21 1755042903 WISOGNYBELDRCA-NHAGDIPZSA-N 307.394 -0.592 30 20 DBED COCC1(C(=O)N2C[C@@H](C)[C@@H](NCC(=O)NCC#N)C2)CC1 1755111218 BQELXEFSGUASCF-NEPJUHHUSA-N 308.382 -0.511 30 20 DBED CCOc1cc(C(=O)N[C@H](C)[C@@H](C)NCC(=O)NCC#N)on1 1755244608 RXROONTUFDDEHN-NXEZZACHSA-N 323.353 -0.191 30 20 DBED COCC#CCNCCC[C@H](C)NC(=O)c1cc(=O)n(C)cn1 1755502904 YVZJRDVSDAKBHX-ZDUSSCGKSA-N 320.393 -0.082 30 20 DBED C=CCNC(=O)[C@H](C)NC[C@@H](O)CN(C)C(=O)c1ccncn1 1755791808 OOPZGLYUJCQMNS-NWDGAFQWSA-N 321.381 -0.810 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(CCO)(NC(=O)C#CC2CC2)C1 1756081858 GOYBCHYQIBUUMN-MRXNPFEDSA-N 320.389 -0.194 30 20 DBED C[C@H](NC(N)=O)C(=O)N(C)[C@H](CNC(=O)C#CC1CC1)C1CC1 1756409643 RUFPOQLVHFKREE-GXFFZTMASA-N 320.393 -0.190 30 20 DBED C=C[C@H](CC(=O)NC[C@H](CO)NC(=O)C(N)=O)c1ccccc1 1756526576 TZNQDZDEJYJMND-DGCLKSJQSA-N 319.361 -0.575 30 20 DBED C=CCOCC(=O)N(C)C[C@@H](O)CNC(=O)c1cnccn1 1756655334 FGTKRAQUFKWIDB-NSHDSACASA-N 308.338 -0.772 30 20 DBED C=CCCC(=O)N[C@@H]1CN(C(=O)C[C@@H]2COC(=O)C2)C[C@H]1O 1756984655 FEBVCBYDRKXRTJ-QJPTWQEYSA-N 310.350 -0.406 30 20 DBED N#CCCC(=O)N1CCO[C@]2(CCN(C(=O)c3ncon3)C2)C1 1779867972 UHUBSYHHDIKFCC-CQSZACIVSA-N 319.321 -0.183 30 20 DBED CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)S)CCO2 1840158647 OCZHBPLQNAWQJJ-GXFFZTMASA-N 302.396 -0.219 30 20 DBED NCC(=O)N1CC2(CCCN2C(=O)/C=N/N2CCCCC2)C1 1844258713 KMVLAIPJPYZKCA-LICLKQGHSA-N 307.398 -0.380 30 20 DBED CC(C)=NO[C@H](C)C(=O)N1CCCC12CN(C(=O)C(O)O)C2 1845251237 IKCZYBXTRPNBRB-SNVBAGLBSA-N 313.354 -0.699 30 20 DBED CC(C)(C#N)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C1=NNC(=O)C1 1847347400 XJXKFXXZHZDJJB-QWRGUYRKSA-N 317.349 -0.386 30 20 DBED C#CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccnc1C(N)=O 1848302717 BVKCGNQWIPTIPZ-RYUDHWBXSA-N 312.329 -0.371 30 20 DBED CCN(C[C@H](C)C#N)[C@@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O 155203252 HDZXZGPIYBYCKN-ZJUUUORDSA-N 321.381 -0.281 30 20 DBED Cn1cc(N2CCN(C(=O)C3(C#N)CCOCC3)CC2=O)cn1 177829451 ZGRLESXDHRGWFK-UHFFFAOYSA-N 317.349 -0.084 30 20 DBED CN(Cc1cccc(C#N)c1)C(=O)CN1C(=O)C(=O)N(C)C1=O 264928988 VOLAZDQNTOSBGX-UHFFFAOYSA-N 314.301 -0.063 30 20 DBED COC(=O)[C@H]1COCCN1CC(=O)N(CCC#N)CCC#N 267729185 BBYYAUSRKFSBGS-GFCCVEGCSA-N 308.338 -0.484 30 20 DBED N#Cc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(N)=O)O2)cn1 268343070 LPDRWJURKFYOAW-MWLCHTKSSA-N 310.335 -0.736 30 20 DBED CN1C(=O)C(=O)N(CC(=O)N2CCc3ccc(C#N)cc32)C1=O 270161104 CIJAMCZETOBKLH-UHFFFAOYSA-N 312.285 -0.132 30 20 DBED C=CCNC(=O)CNC(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O 271981615 NFQUOLABIHPMNK-PHIMTYICSA-N 307.350 -0.420 30 20 DBED C=CCSCCNC(=O)C(=O)N(C[C@H](C)O)[C@H](C)CO 286587769 VSZNTJCCRLFELP-MNOVXSKESA-N 304.412 -0.388 30 20 DBED C=C[C@H](CO)NC(=O)c1cncc(C(=O)N[C@H](C=C)CO)c1 290521236 HGEDBLKWMKCSHH-CHWSQXEVSA-N 305.334 -0.365 30 20 DBED CN(C)S(=O)(=O)NCCNC(=O)c1ccc(CC#N)cc1 294786874 UUGTYUJIXUOAFD-UHFFFAOYSA-N 310.379 -0.122 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N1CCC[C@H](c2n[nH]c(=O)o2)C1 295138794 DIFQKLKBWHAKFP-ZJUUUORDSA-N 323.353 -0.057 30 20 DBED C/N=C(/O)[C@@H]1CCCN1C(=O)C/N=C(/O)[C@@H]1COCCN1C 328987743 CCUJVKQVEQPNLB-QWRGUYRKSA-N 312.370 -0.149 30 20 DBED C[C@@H]1C(O)=NCCN1/C(O)=N/CCC(=O)N1CCN(C)CC1 329135917 CLEFQWUBKKQQOO-LLVKDONJSA-N 311.386 -0.275 30 20 DBED CCOC(=O)[C@H]1CCCN(/C(O)=N/CCS(=O)(=O)NC)C1 331276167 CNUBPUBCEDMAKS-JTQLQIEISA-N 321.399 -0.275 30 20 DBED CN(C)S(=O)(=O)N(C)CC(=O)NCc1cccc(C#N)c1 341662241 VXXFGFHVLIVELU-UHFFFAOYSA-N 310.379 -0.087 30 20 DBED CNC(=O)[C@H](CCSC)NS(=O)(=O)N(C)[C@H](C)CC#N 341664632 HOVGOXZLNBPDOR-ZJUUUORDSA-N 322.456 -0.078 30 20 DBED CCc1nn(C)c(CC)c1CNC(=O)NCC(=O)NCC#N 345500367 SLPCHOBXCKWVOR-UHFFFAOYSA-N 306.370 -0.016 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](CO)C/C=C/C)C1=O 354187939 ISLRNKZAWBGEGI-RXNUUUNCSA-N 309.322 -0.594 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)C[C@H](C)C(=O)OC)CC1 354599516 KZEPEENAPHLAGF-LBPRGKRZSA-N 311.382 -0.368 30 20 DBED CO[C@](C)(CNS(=O)(=O)N1CCO[C@H](C#N)C1)C1CC1 360255281 ZDPYABYZKYIRKX-VXGBXAGGSA-N 303.384 -0.140 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N(C)[C@H]1CCS(=O)(=O)C1 407951085 BJVPMFKDRFXMFK-UWVGGRQHSA-N 309.413 -0.558 30 20 DBED C=CCCO[C@@H](C)C(=O)N1C[C@H](N(C)CC(=O)O)[C@H](O)C1 435689789 DDTWTANPJZBNGX-SDDRHHMPSA-N 300.355 -0.444 30 20 DBED COC(=O)Cn1cc(CNc2ncc([N+](=O)[O-])cc2C#N)nn1 441925713 SBMCPZQCNWDLKI-UHFFFAOYSA-N 317.265 0.238 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@H]2C[C@@]23CCNC3)CC1 444166123 JOUUVWWSTAJQQD-CZUORRHYSA-N 306.410 -0.568 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCCNS(=O)(=O)NC(C)C 451192449 WCJVIPKMOVUIPK-MNOVXSKESA-N 305.400 -0.474 30 20 DBED C#CCNC(=O)CN1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 491072558 SUCFEZDXCOUEJJ-AWEZNQCLSA-N 320.437 -0.199 30 20 DBED N#CCNC(=O)CNS(=O)(=O)c1cc(C(=O)O)cs1 505842341 ICCOWYLMCACRKS-UHFFFAOYSA-N 303.321 -0.636 30 20 DBED C[C@@H](C#N)CNC(=O)NCCS(=O)(=O)N1CCSCC1 541945999 XICYXKBLLZHTRO-JTQLQIEISA-N 320.440 -0.176 30 20 DBED CC(C)NS(=O)(=O)NCCNC(=O)NCC1(C#N)CC1 572818706 VGJUZTWHZPYLNT-UHFFFAOYSA-N 303.388 -0.578 30 20 DBED C=CCOCCNC(=O)C(=O)Nc1c(C(=O)OC)cnn1C 590240233 ZSRJERUWTRFQDS-UHFFFAOYSA-N 310.310 -0.536 30 20 DBED N#Cc1ccc(S(=O)(=O)CCNC[C@H]2CCCNC2=O)nc1 591735163 VZFJQPPORZRSKF-GFCCVEGCSA-N 322.390 -0.157 30 20 DBED COc1ccc(CNc2c(C#N)c(=O)n(C)c(=O)n2C)nn1 596259916 AMJJAFQPGFBGSL-UHFFFAOYSA-N 302.294 -0.634 30 20 DBED N#Cc1ccc(S(=O)(=O)NCC(=O)NC[C@H]2C[C@@H](O)C2)cc1 600504083 DHMBROPROKZZHE-TXEJJXNPSA-N 323.374 -0.276 30 20 DBED Cc1cc(C(=O)N2CCN(CC#N)CC2)ccc1S(N)(=O)=O 610397175 ZMIDKYSPWINQMR-UHFFFAOYSA-N 322.390 -0.076 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C(N)=O)C(C)C)C1=O 726039984 VBIFWABBVZHREI-VIFPVBQESA-N 311.294 -0.984 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)c2nc(C)no2)C1=O 726043912 VSJKKOVDJFJDBR-ZETCQYMHSA-N 322.277 -0.041 30 20 DBED C#CCNC(=O)CN1CCN(c2cccnc2[N+](=O)[O-])CC1 728567271 RPAPCJCFUGJGPW-UHFFFAOYSA-N 303.322 -0.139 30 20 DBED C#C[C@@H](C)NC(=O)N1CCN(C(=O)CN2CCOCC2)CC1 773591775 BBWQQCYSDORVLU-CYBMUJFWSA-N 308.382 -0.806 30 20 DBED C#C[C@@H](NCC(=O)NCCCN1CCCC1=O)[C@@H]1CCCO1 775793546 MFFGEOVTULOZQB-KGLIPLIRSA-N 307.394 -0.115 30 20 DBED CNS(=O)(=O)[C@H]1CCN(C(=O)NCc2ccc(C#N)cn2)C1 780642764 AICAULNIRUPPNQ-LBPRGKRZSA-N 323.378 -0.214 30 20 DBED C#CCOCCNC(=O)N1CCCN(S(C)(=O)=O)CC1 784538223 AXYHNIFMPVPGEH-UHFFFAOYSA-N 303.384 -0.687 30 20 DBED CN(C(=O)COC(=O)CCn1cnccc1=O)C(C)(C)C#N 796337884 TYZGAXOMJDQXHN-UHFFFAOYSA-N 306.322 -0.063 30 20 DBED C#CCCS(=O)(=O)NCC(=O)NCCN1CCCCCC1 814280263 CQRZUDZLHYQBOE-UHFFFAOYSA-N 315.439 -0.079 30 20 DBED C#CC[C@@H](CO)NC(=O)[C@@H](C(C)C)N1CCCS1(=O)=O 816671918 LCPNNONOODZRKQ-NWDGAFQWSA-N 302.396 -0.453 30 20 DBED C[C@@H]1CN(c2nccnc2C#N)CCN1CC(=O)NCC(=O)O 820251849 MUFRTZYMEJLWDL-SNVBAGLBSA-N 318.337 -0.940 30 20 DBED N#C[C@@H]1CN(C(=O)[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CCO1 826380654 ISOOUPZOVRSRBS-NEPJUHHUSA-N 314.305 -0.349 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)NCc1nnc(C)s1 828330645 HPVDLYOZZGWWOF-UHFFFAOYSA-N 310.379 -0.039 30 20 DBED C=CCS(=O)(=O)CCNC(=O)Cc1nnn(C(C)(C)C)n1 831992122 ZFEJDZCXXWIART-UHFFFAOYSA-N 315.399 -0.312 30 20 DBED Cc1cn2c(=O)c(C(=O)N[C@@H]3CNC[C@H]3C#N)cnc2s1 834484011 CJBCQQLLMMIJEC-PSASIEDQSA-N 303.347 -0.094 30 20 DBED CC1=C(C(=O)N[C@@H]2CCCN(O)C2=O)[C@H](C)n2nnnc2N1C 848132143 OPBZCLSUWUAMJU-DTWKUNHWSA-N 321.341 -0.546 30 20 DBED CN1C(=O)CN(CC(=O)[C@H](C#N)C(=O)NC2CCCC2)C1=O 860477998 NUCOJPVBRXBLSE-JTQLQIEISA-N 306.322 -0.352 30 20 DBED N#C[C@@H]1CN([C@@H]2CC(=O)N(CCCO)C2=O)CCN1C1CC1 864350009 ASYYAYDMZYPEOZ-CHWSQXEVSA-N 306.366 -0.832 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccnc2)CC1 871738907 YDAKJVSAOLLXED-UHFFFAOYSA-N 323.378 -0.301 30 20 DBED CCN(C[C@H](C)C#N)C(=O)CN1C[C@H]2C(=O)N(C)C(=O)[C@H]2C1 879534890 XPMVIEYGVBIQIQ-UTUOFQBUSA-N 306.366 -0.459 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C(N)=O)o1 937536385 DLBLIZMSAKICFV-UTLUCORTSA-N 316.317 -0.037 30 20 DBED C=C(Cl)CN1CC(N2CCN(C(=O)c3cnn[nH]3)CC2)C1 941472167 VVNOXHOIOAMUHS-UHFFFAOYSA-N 310.789 -0.001 30 20 DBED O=C(NC[C@H]1CN(C(=O)C#CC2CC2)CCO1)c1ncccn1 944740545 KBPOEBOXDHSMFO-ZDUSSCGKSA-N 314.345 -0.153 30 20 DBED C#Cc1ccc(C(=O)N2CCC(NC(=O)C(N)=O)CC2)nc1 947631508 DKCUXPFYPCMBOI-UHFFFAOYSA-N 300.318 -0.731 30 20 DBED N#Cc1ccc(C(=O)NC[C@H]2CCN2C(=O)[C@H]2C[C@H]2C(N)=O)[nH]1 949452383 KBRWXXBXYMJXEE-MXWKQRLJSA-N 315.333 -0.662 30 20 DBED CN(C(=O)c1c[nH]c(C#N)c1)C1CCN(C(=O)C(N)=O)CC1 953883130 FAUHVYFQPJHDIX-UHFFFAOYSA-N 303.322 -0.565 30 20 DBED CC#CCN1C[C@H](O)[C@H](CNC(=O)c2cnc(C)nc2OC)C1 958121987 OAKUSEYVIAUAPN-OCCSQVGLSA-N 318.377 -0.161 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2cc3n(n2)CCCC3)C1 958161385 JFCBHOJRROYHSA-IUODEOHRSA-N 302.378 -0.125 30 20 DBED CC#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cn(C)nc2COC)C1 958190552 IRESNMOOAJZHDQ-SWLSCSKDSA-N 320.393 -0.388 30 20 DBED C=CCN1C[C@@H](O)[C@@H](CNC(=O)c2cnc3[nH]c(O)nc3c2)C1 958195609 HVGJLBZSKINULA-CMPLNLGQSA-N 317.349 -0.128 30 20 DBED C#CCN1CCC(C(=O)NC[C@@H]2CN(CC#CC)C[C@H]2O)CC1 958723752 JMKNVLPEXYHAIH-IAGOWNOFSA-N 317.433 -0.236 30 20 DBED C#CCN1C[C@H]2[C@H](NC(=O)C[C@H]3CCCS(=O)(=O)C3)[C@H]2C1 962227306 JLLVTLNAXWOJCN-CXTNEJHOSA-N 310.419 -0.119 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)c1csnn1 964269589 UWSREMAAWOZOCL-RKDXNWHRSA-N 309.351 -0.345 30 20 DBED Cc1c[nH]nc1C(=O)N1CCOC2(C1)CN(C(=O)[C@@H](C)C#N)C2 965378066 LFRODOCIZAADCC-JTQLQIEISA-N 317.349 -0.069 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC2(CN(C(=O)C3=CCOCC3)C2)C1 965470460 GYQJEDAQYMZIMW-LBPRGKRZSA-N 319.361 -0.067 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C2CN(C(=O)c3ccon3)C2)CC1 967245819 VIKXPABBZNTIPX-NSHDSACASA-N 317.349 -0.197 30 20 DBED C=CC(C)(C)C(=O)N1CCC2(CC1)CN(C(=O)C(N)=O)CCO2 967695184 AVRYWOZEFQHUAS-UHFFFAOYSA-N 323.393 -0.096 30 20 DBED C=CCN1CCO[C@@]2(CCN(C(=O)[C@H]3CN(C)CCO3)C2)C1 972316855 PKYFQEIWRHKHJQ-ZBFHGGJFSA-N 309.410 -0.194 30 20 DBED C=CCN1CCO[C@]2(CCN(C(=O)Cn3ncn(C)c3=O)C2)C1 972441316 RAUZQDDZJLSGSD-OAHLLOKOSA-N 321.381 -0.929 30 20 DBED Cc1ncnc(O)c1C(=O)N1CC[C@@]2(CN(CC#N)CCO2)C1 972510629 CAWBRZNYQDFDBV-OAHLLOKOSA-N 317.349 -0.069 30 20 DBED C#CCCN1C[C@H]2[C@H](CNC(=O)c3cn(CCOC)nn3)[C@H]2C1 978156547 NZXCZRRNZPMUCA-ZSOGYDGISA-N 317.393 -0.145 30 20 DBED C#Cc1cncc(C(=O)NC[C@H]2[C@@H]3CN(CC(=O)NC)C[C@H]23)c1 978694928 FQUDULLWQXWYTQ-QKDCVEJESA-N 312.373 -0.284 30 20 DBED CN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CCCN(C(=O)C(N)=O)C1 984581094 FERIEUMIRKWBSJ-SNVBAGLBSA-N 303.322 -0.565 30 20 DBED N#Cc1ccc(C(=O)NC2CN(C(=O)[C@@H]3CCC(=O)N3)C2)[nH]1 990887208 IZZYKNRKUJJLQN-NSHDSACASA-N 301.306 -0.894 30 20 DBED Cc1nc(CC(=O)NC2CN(C(=O)c3c[nH]c(C#N)c3)C2)n[nH]1 991264382 NTVJFLGMFHCPTB-UHFFFAOYSA-N 313.321 -0.504 30 20 DBED C=CCn1cc(C(=O)NC2CN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C2)nn1 991693408 MMLYGRJLCAAMTB-PJXYFTJBSA-N 317.349 -0.703 30 20 DBED C#CCN1CC[C@@]2(NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)CCC[C@H]12 992176035 WBFCZXDEWVXCIH-ZWUHOBOKSA-N 305.378 -0.234 30 20 DBED C=CCn1cccc1C(=O)NC1CN(C(=O)C2(C(N)=O)CC2)C1 994196923 HXLWZEZMPXUBBG-UHFFFAOYSA-N 316.361 -0.120 30 20 DBED C=CCN[C@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)CC1(C)C 995827719 VNCIYJCZLUOIPX-JTQLQIEISA-N 306.370 -0.610 30 20 DBED N#CCN1CC=C(CNC(=O)[C@@H]2CCc3nnc(O)n3C2)CC1 1000860448 SYDACRWKRHLIMW-GFCCVEGCSA-N 316.365 -0.182 30 20 DBED CN(C(=O)c1c[nH]c(C#N)c1)C1CCC(NC(=O)C(N)=O)CC1 1004077049 ZCSQXKVQBLKUFM-UHFFFAOYSA-N 317.349 -0.129 30 20 DBED CN(C(=O)[C@@H]1Cc2cncn2C(=O)N1)C1CCN(CC#N)CC1 1005754458 PTMPJJUQELWYJL-ZDUSSCGKSA-N 316.365 -0.188 30 20 DBED CC(=O)N1CC(C(=O)N[C@@H](C)C2CN(C(=O)[C@H](C)C#N)C2)C1 1005981424 ZZIIHLJDZBIPFU-ZJUUUORDSA-N 306.366 -0.413 30 20 DBED C[C@H](NC(=O)[C@@H]1CCNC1=O)C1CN(C(=O)C#CC2CC2)C1 1006561998 HPLZURCSOWJCLW-GXFFZTMASA-N 303.362 -0.501 30 20 DBED C=C(C)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)C(N)=O)C2)C1 1007710147 IFBHNSFMRGJPPM-MRXNPFEDSA-N 323.393 -0.096 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](NC(=O)c2cnn(C)n2)C(C)(C)C1 1008327408 HKKQSBQRPHMIPX-MWLCHTKSSA-N 304.354 -0.058 30 20 DBED C=CCN1CCC[C@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)C1 1008745509 FERPPAOJJVGNFC-JTQLQIEISA-N 308.338 -0.826 30 20 DBED C[C@@H]1C[C@H](CNC(=O)c2c[nH]c(C#N)c2)CN1C(=O)CC(N)=O 1010078374 KFKOGPJPSYPPAE-NXEZZACHSA-N 317.349 -0.271 30 20 DBED C#CCCN1CC[C@@H](NC(=O)Cn2nc3ccccn3c2=O)C1 1015458445 GFLHLDFPSXXOJO-CYBMUJFWSA-N 313.361 -0.290 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CCN(Cc3nnn(C)n3)C2)cn1 1016026760 IVQYKISELJTAAD-CYBMUJFWSA-N 311.349 -0.409 30 20 DBED C=CCN1CC[C@@H](N2CC[C@@H](NC(=O)Cn3ccnc3)C2)C1=O 1016396933 GNQVRKMXNHCRPQ-ZIAGYGMSSA-N 317.393 -0.140 30 20 DBED CC(=O)N1CCOC[C@H]1C(=O)N[C@@H]1CC12CCN(CC#N)CC2 1016988036 XKCQEFHRRBJFQR-UONOGXRCSA-N 320.393 -0.272 30 20 DBED C#CCN1CCC2(CC1)C[C@H]2NC(=O)C[C@H]1CC(=O)NC1=O 1017003756 OGIPDYMDBPHRSN-NWDGAFQWSA-N 303.362 -0.357 30 20 DBED C#CCN[C@H]1C[C@H](NC(=O)c2ccc(=O)n(CCOC)c2)C1 1020346652 QWRBPXWLKMUTBT-HDJSIYSDSA-N 303.362 -0.022 30 20 DBED C#Cc1cncc(C(=O)N[C@H]2C[C@H](NCc3nc(O)n[nH]3)C2)c1 1020567798 SXDIDWQRCJGEHE-HAQNSBGRSA-N 312.333 -0.063 30 20 DBED Cn1nnnc1CN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C#N)[nH]1 1032362616 KNTSSSAFOARATI-QWRGUYRKSA-N 312.337 -0.491 30 20 DBED N#Cc1ccc(F)cc1CN1C[C@@H]2C[C@H]1CN2C(=O)C(N)=O 1032596501 FRPVINKZSKFWJH-STQMWFEESA-N 302.309 -0.032 30 20 DBED CC#CCN1CC[C@H](N(C)C(=O)[C@@H]2COCCN2C(C)=O)C1 1033677328 ZZGRUISJWZCYQV-GJZGRUSLSA-N 307.394 -0.210 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)c2cccc(C(N)=O)c2)C1 1035419949 KFKDOMMYBTXTFE-AWEZNQCLSA-N 301.346 -0.151 30 20 DBED N#CCN1CCO[C@@H](CNC(=O)c2ccc(C(N)=O)s2)C1 1035540672 BRTAUPWJQQYIPG-VIFPVBQESA-N 308.363 -0.199 30 20 DBED Cc1nc2nccc(C(=O)NC[C@@H]3CN(CC#N)CCO3)n2n1 1035573217 IEAWAXQQFOBISM-LLVKDONJSA-N 315.337 -0.613 30 20 DBED C#CCCCC(=O)NC[C@]1(O)CCN(C(=O)c2nc[nH]n2)C1 1039574702 WOGRHYNUKYLKLR-CQSZACIVSA-N 305.338 -0.699 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@](O)(CNC(=O)c2ncc[nH]2)C1 1039662122 MJHFRJVNKQDUCI-ABAIWWIYSA-N 320.349 -0.859 30 20 DBED Cc1cc(C#N)nc(N[C@H]2CCN(C(=O)CC(N)=O)[C@H]2C)n1 1040078476 VNMFAMKTVKHTNO-ONGXEEELSA-N 302.338 -0.067 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)CN(C)C2CCC2)C1 1040766283 OBBOEWMVWKJZOX-LRDDRELGSA-N 322.409 -0.290 30 20 DBED C#CCCCC(=O)N1CC[C@](O)(CNC(=O)c2ccnnc2)C1 1041020289 XWCPOQUHEYQEGI-INIZCTEOSA-N 316.361 -0.027 30 20 DBED C#CCCCCC(=O)NCC1(O)CN(C(=O)c2ncn(C)n2)C1 1042654944 FQPLGSUPUIJNIS-UHFFFAOYSA-N 319.365 -0.688 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)[C@H]2CCO[C@@H]2C)C1 1042800027 ZKIGYACRRUCZPY-OLZOCXBDSA-N 308.378 -0.096 30 20 DBED Cc1ncn(C)c1C(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042963291 LDARFKWCZVJREH-UHFFFAOYSA-N 316.361 -0.555 30 20 DBED CO[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1NC(=O)c1cnn[nH]1 1043024905 DOBVTSWNKYMXKI-GHMZBOCLSA-N 314.309 -0.900 30 20 DBED C=CCC(C)(C)C(=O)NCC1(O)CN(C(=O)Cn2cncn2)C1 1043061233 BZLXZVCBOIJCRQ-UHFFFAOYSA-N 321.381 -0.430 30 20 DBED C[C@@H]1C[C@@H](NCC#N)CCN1C(=O)c1cn(C)c(=O)n(C)c1=O 1044765767 XRPZMMVGZCTNIC-MNOVXSKESA-N 319.365 -0.810 30 20 DBED C=CCCCC(=O)NCC1(O)CN(C(=O)CCCC(N)=O)C1 1045462512 JGMYWMNCHLGDNU-UHFFFAOYSA-N 311.382 -0.312 30 20 DBED COCCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1046972005 QOKUTHBJIORIAO-LBPRGKRZSA-N 324.377 -0.859 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2nnn(C(C)(C)C)n2)C1 1047388772 KUSUEDJLJWFHMU-RYUDHWBXSA-N 320.397 -0.432 30 20 DBED CN(C(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1)[C@H]1CN(CC#N)C[C@@H]1O 1047402877 XGBYIGWZRKJJCR-AGIUHOORSA-N 322.409 -0.340 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C(N)=O)co2)C1 1047524414 GTOIQRLZNSWRSL-RYUDHWBXSA-N 305.334 -0.481 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2cn(CCC=C)nn2)C1 1047557968 SLCAPMGQZRXUSA-GJZGRUSLSA-N 317.393 -0.005 30 20 DBED COCC(C)(C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)C#N)C1 1049402523 UBEJVCTXIWJROO-WOPDTQHZSA-N 311.382 -0.151 30 20 DBED N#CCN1C[C@@H]2CCCN(C(=O)CC[C@@H]3NC(=O)NC3=O)[C@@H]2C1 1050196815 MRZLFNAFVZMIGK-SDDRHHMPSA-N 319.365 -0.579 30 20 DBED CC(C)(C)N1C[C@H](C(=O)NC[C@H]2COCCN2CC#N)CC1=O 1050945793 WPYHMOHDWAAEAK-OLZOCXBDSA-N 322.409 -0.026 30 20 DBED C=C(Cl)CN1CCOC[C@@H]1CNC(=O)[C@@H]1CCNC1=O 1051059676 GWMXIHGRQGKLHT-WDEREUQCSA-N 301.774 -0.308 30 20 DBED CC#CCN1CCOC[C@H]1CNC(=O)[C@@H]1CCCC(=O)N1C 1051229170 VMHHXRHDAUSXNV-KGLIPLIRSA-N 307.394 -0.162 30 20 DBED N#Cc1ccc(N2CC[C@@H](NC(=O)c3cnon3)[C@H](O)C2)cn1 1051716905 BZULPFVMHCGHRV-DGCLKSJQSA-N 314.305 -0.294 30 20 DBED C=CCN1CCN([C@H]2CCN(C(=O)[C@@H]3COC(=O)N3)C2)CC1 1052023346 SEINWFWEGPQUQL-STQMWFEESA-N 308.382 -0.501 30 20 DBED C[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1NCc1nnnn1C 1054559623 LCEHGLZLOMLFKA-CABZTGNLSA-N 314.353 -0.340 30 20 DBED N#Cc1cncc(N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)Cc2nc[nH]n2)n1 1055098551 QSPLQRGYAJASQM-WOPDTQHZSA-N 324.348 -0.065 30 20 DBED N#Cc1nccc(N2CCN(C(=O)CCn3cnnn3)CC2)n1 1055882975 ONOGLLLGSAJING-UHFFFAOYSA-N 313.325 -0.926 30 20 DBED C#CCO[C@H](C)C(=O)NCCN(CCO)C(=O)C1CC=CC1 1057256348 CLKUDNQMKQQVBU-CYBMUJFWSA-N 308.378 -0.072 30 20 DBED CN1C(=O)CC[C@H]1C(=O)N[C@H]1CCN(c2ccc(C#N)nn2)C1 1058516228 HGRFFZYTYJBVOW-RYUDHWBXSA-N 314.349 -0.336 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1C[C@@H](NC(=O)[C@@H]2COC(=O)N2)C1 1059625319 RVWZECOGKDIWMA-UMNHJUIQSA-N 301.306 -0.457 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC2(CCN(C(=O)CC(N)=O)CC2)C1 1061008343 AIRFAAGEODHXIB-LBPRGKRZSA-N 321.377 -0.649 30 20 DBED C=CCCC(=O)NC[C@H]1COCCN1C(=O)[C@H]1CCC(=O)N1 1061406472 JQFWTCGOUZCULU-NWDGAFQWSA-N 309.366 -0.425 30 20 DBED C=CCCC(=O)N1CCOC[C@H]1CNC(=O)CCNC(N)=O 1061577796 HYXCPCKKISGFCJ-LLVKDONJSA-N 312.370 -0.645 30 20 DBED C=C(C)CCC(=O)N1CCOC[C@H]1CNC(=O)c1nnn(C)n1 1061778691 UILZHYPFNQECOM-LLVKDONJSA-N 322.369 -0.476 30 20 DBED C=CCOCC(=O)NCC1(NC(=O)CNC(=O)C2CC2)CCC1 1062702105 GWEWGYMCDPXWRK-UHFFFAOYSA-N 323.393 -0.130 30 20 DBED C#CCOCCC(=O)NC1(CNC(=O)c2nc[nH]n2)CCC1 1063997243 NSGAAPAZDRJTTQ-UHFFFAOYSA-N 305.338 -0.387 30 20 DBED C=CCC(C)(C)C(=O)NC[C@@H]1CN(C(=O)CC(N)=O)CCO1 1064999230 UEKWKWXRRKJMIV-LLVKDONJSA-N 311.382 -0.192 30 20 DBED Cc1c[nH]c(C(=O)N2CCO[C@H](CNC(=O)[C@H](C)C#N)C2)n1 1065202351 SUBVNNPPHAONPM-MWLCHTKSSA-N 305.338 -0.165 30 20 DBED N#Cc1cncc(N2C[C@H](CNC(=O)c3cccnc3)[C@@H](O)C2)n1 1067642611 GXHHSFBYONSSFZ-JSGCOSHPSA-N 324.344 -0.030 30 20 DBED CC(=O)N(C)CC(=O)N1CCOC2(C1)CN(C(=O)[C@@H](C)C#N)C2 1068314200 HCKKJACFPXWFPF-NSHDSACASA-N 322.365 -0.936 30 20 DBED N#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 1070033812 KGYVTGKCJSOUQO-POQQGIQPSA-N 316.365 -0.289 30 20 DBED CC#CCN1CC[C@@]2(C1)CN(C(=O)Cn1nccn1)C[C@@H](C)O2 1071174167 UOZWZPDZJKFLKG-GDBMZVCRSA-N 317.393 -0.007 30 20 DBED C#CCN1CCN([C@H]2CCCN(C(=O)[C@@H]3CCOC3)C2)C(=O)C1 1071255693 UJAWWDJEHANAET-CABCVRRESA-N 319.405 -0.209 30 20 DBED C=CCCOCC(=O)N[C@H]1CN(C(=O)Cn2cnnn2)C[C@H]1C 1071555811 FCRIXZFCBMKRIQ-NEPJUHHUSA-N 322.369 -0.771 30 20 DBED C#CCCN1C[C@H](NC(=O)CN2CCOCC2=O)CC[C@H]1C 1071574874 QPJWWILLUAZHSS-ZIAGYGMSSA-N 307.394 -0.162 30 20 DBED C#CCCN1CCC2(C1)CN(C(=O)[C@@H]1CCS(=O)(=O)C1)C2 1072902976 JUYZHJLFRXARSS-CYBMUJFWSA-N 310.419 -0.021 30 20 DBED N#CCN1CCO[C@H]2CCN(C(=O)CN3CCCNC3=O)C[C@@H]21 1074284327 NNVKQZCMACXVMN-STQMWFEESA-N 321.381 -0.773 30 20 DBED N#CCN1CCO[C@H]2CCN(C(=O)c3ccc(C(N)=O)o3)C[C@@H]21 1074292362 UCUXKQDUZOUOBK-QWRGUYRKSA-N 318.333 -0.183 30 20 DBED N#CCN1CCO[C@@H]2CCN(C(=O)CCc3cnn[nH]3)C[C@H]21 1074341031 OXGCKJVASVUEPU-CHWSQXEVSA-N 304.354 -0.437 30 20 DBED CC#CCN1CCO[C@@H]2CCN(C(=O)Cc3nc[nH]n3)C[C@H]21 1074379858 KGXVCQSFYAANAW-CHWSQXEVSA-N 303.366 -0.328 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)[C@@H](C)COC 1075908084 FIWQLQWIDOCBKN-RYUDHWBXSA-N 311.382 -0.581 30 20 DBED C[C@@H](CCNC(=O)c1c[nH]c(C#N)c1)NC(=O)[C@H]1CNC(=O)N1 1076216727 MVQJUXIUANHQBX-GZMMTYOYSA-N 318.337 -0.808 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCn3ccnc3C2)C1 1077259225 LJSRIWDVPOMIKV-BFHYXJOUSA-N 302.378 -0.370 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)c2cc(C(N)=O)c[nH]2)C1 1077903182 QGVOGOJFLVIRII-GHMZBOCLSA-N 312.757 -0.359 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC[C@@H](N(C)C(=O)C(N)=O)CC1 1079051989 INWHRDPQFWIHDY-NWDGAFQWSA-N 309.366 -0.651 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@H]1CCc2nnn(C)c2C1 1080336903 XJEHREYHGALURI-NTZNESFSSA-N 302.382 -0.120 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2ccncc2)C1 1081160752 HZDYDMUMTQSHQN-KGLIPLIRSA-N 319.361 -0.167 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)COCCOC)C[C@@H]1O 1081333540 UVNRCCSEYRCISF-STQMWFEESA-N 314.382 -0.449 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2cccnn2)C[C@H]1O 1081345217 ZXIZGJVDEUEVQV-DGCLKSJQSA-N 320.349 -0.772 30 20 DBED C=CCC(CC=C)C(=O)NC[C@@H]1CN(C(=O)C(N)=O)C[C@H]1O 1081510769 CRXFIELGOYHQJL-VXGBXAGGSA-N 309.366 -0.824 30 20 DBED C=CCN1C[C@@H](NC(=O)[C@H]2CCc3nnn(C)c3C2)[C@H](OC)C1 1082069749 YBKPNCRFUYTOQX-NJZAAPMLSA-N 319.409 -0.079 30 20 DBED CC#CCN1C[C@@H](NC(=O)[C@H]2CCN(C(C)=O)C2)[C@H](OC)C1 1082347790 UCLGIJFPOBLMMP-RRFJBIMHSA-N 307.394 -0.307 30 20 DBED C=C(C)CN[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)N2)C[C@H]1C 1082927877 YJVGYQFVNHQZNA-IJLUTSLNSA-N 301.412 -0.309 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CCNC(=O)C1 1083047936 BHWGXECTCZWQDN-MELADBBJSA-N 305.378 -0.553 30 20 DBED C=C(Cl)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1COC(=O)N1 1083069459 YUDUZMAHYFBEQC-OUAUKWLOSA-N 315.757 -0.241 30 20 DBED COc1cncc(C(=O)N2CCO[C@@H]3CN(CC#N)C[C@@H]32)n1 1083215109 IPDLGFNXLXKWLG-NWDGAFQWSA-N 303.322 -0.466 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)[C@H]2CN3CC4CC3(CO2)C4)C1 1083654431 NVJHWTJNWQIFCN-NHGZVPIDSA-N 307.394 -0.803 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@H]2Cc3cccc(F)c3O2)C1 1084073579 ZETCKYRVLAUJQV-HZSPNIEDSA-N 304.321 -0.076 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)c2noc3c2COCC3)C1 1084078374 WMAYEJZQSZSQTN-NEPJUHHUSA-N 305.334 -0.455 30 20 DBED C=CCCN1CC[C@@H](NC(=O)c2nnc(O)nc2O)[C@H](O)C1 1090395541 DBMNSIPJASPFJS-RKDXNWHRSA-N 309.326 -0.976 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2cc(OC)n(C)n2)[C@H](O)C1 1090420066 FGXKJORVTSTPEB-WCQYABFASA-N 306.366 -0.383 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2ccc(C(N)=O)o2)[C@H](O)C1 1090421007 SCAGZHTWNMBLAD-WDEREUQCSA-N 305.334 -0.433 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2ccnc(OC)n2)[C@H](O)C1 1090424511 ZGOOPUVQCIEBSG-WCQYABFASA-N 304.350 -0.327 30 20 DBED C=CCN1CC[C@H](NC(=O)c2cnc3c(c2)nnn3C)[C@@H](O)C1 1090442264 RMSMCZKECNAAJX-AAEUAGOBSA-N 316.365 -0.286 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cnc(C3CC3)nc2O)[C@H](O)C1 1090629041 DXKNXFXNGFDQIX-QWHCGFSZSA-N 316.361 -0.142 30 20 DBED CC1CCN(C(=O)C(=O)N[C@H]2CCN(CC#N)C[C@@H]2O)CC1 1090629078 FEPQRVRLRNVTGZ-STQMWFEESA-N 308.382 -0.680 30 20 DBED N#CCN1CC[C@H](NC(=O)c2cccn3c(O)nnc23)[C@@H](O)C1 1090720714 BOQLFAQFZNYRHO-QWRGUYRKSA-N 316.321 -0.877 30 20 DBED COCCC(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1OC 1090854130 RKGWTAIRYGVLAB-VXGBXAGGSA-N 305.338 -0.295 30 20 DBED CCOCC(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1OC 1090858283 NLBUUNQBGWDPCZ-VXGBXAGGSA-N 305.338 -0.295 30 20 DBED C=CCCN1CC[C@@H](NC(=O)c2cc(C(N)=O)ccn2)[C@H](O)C1 1090859497 WXNGLJCAOIVJTG-TZMCWYRMSA-N 318.377 -0.078 30 20 DBED C#CCCN1C[C@@H]2CN(C(=O)CN3CCNC(=O)C3)C[C@]2(C)C1 1091913253 UNXUEQXVFLVRAL-PBHICJAKSA-N 318.421 -0.778 30 20 DBED N#Cc1cncc(N2CC[C@H](NC(=O)C#CC3CC3)[C@@H](O)C2)n1 1092152297 QXVQYADVQJNLMV-KBPBESRZSA-N 311.345 -0.183 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)[C@@H]3COC(=O)N3)c3nccn32)C1 1092366333 RHDFBMPKENTRDA-UWVGGRQHSA-N 316.321 -0.913 30 20 DBED CS(=O)(=O)CC(=O)NC1[C@@H]2CN(c3ccc(C#N)nc3)C[C@@H]12 1093224599 AKEYKFJZXSZLEY-VXGBXAGGSA-N 320.374 -0.451 30 20 DBED CCNC(=O)CC(=O)NC1[C@H]2CN(c3cncc(C#N)n3)C[C@H]12 1093266652 PQIUKIWYGORUHY-QWRGUYRKSA-N 314.349 -0.575 30 20 DBED C=C(C)CN1CC(OC2CCN(C(=O)[C@@H]3CNC(=O)N3)CC2)C1 1093565851 FDTJMJWIHKNAPN-AWEZNQCLSA-N 322.409 -0.064 30 20 DBED N#Cc1ccc(NCCNC(=O)CN2C(=O)CNC2=O)cn1 1093622367 UQMPOWZCGQOXGF-UHFFFAOYSA-N 302.294 -0.967 30 20 DBED N#Cc1cnc(NCCNC(=O)c2ccc(C(N)=O)nc2)cn1 1093698793 NUPXRXHQRKGSKI-UHFFFAOYSA-N 311.305 -0.316 30 20 DBED C#CCO[C@H](C)C(=O)NCCNc1nc(C)nc(N(C)C)n1 1093878234 IRGPFFIPIRXDGQ-SNVBAGLBSA-N 306.370 -0.188 30 20 DBED N#Cc1ccc(NCCNC(=O)c2ccc3nn[nH]c3n2)nn1 1094209711 LFMJRFPALYPMJU-UHFFFAOYSA-N 309.293 -0.144 30 20 DBED N#Cc1c[nH]ccc1=NCCNC(=O)c1ccnc2[nH]nnc12 1094265579 NHLVHMHVKITNGJ-UHFFFAOYSA-N 308.305 -0.117 30 20 DBED C#CCN1CCN(C(=O)C2[C@@H]3CCC[C@@H]23)[C@@H]2CS(=O)(=O)C[C@@H]21 1094620216 UMNRSNMCBTUKGL-YIYPIFLZSA-N 322.430 -0.025 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)Cc3cc[nH]n3)CC2=O)C1 1094716878 DGURZFWKFULZSX-GFCCVEGCSA-N 303.366 -0.461 30 20 DBED CC#CCN1CC(N2C[C@@H](NC(=O)[C@@H]3CCCCO3)CC2=O)C1 1094722676 VRRCXDMLMJRFGB-ZFWWWQNUSA-N 319.405 -0.020 30 20 DBED CN1CC[C@@H](CC(=O)N[C@H]2CC(=O)N(C3CN(CC#N)C3)C2)C1 1094809764 PNPHMLBHODTOHP-STQMWFEESA-N 319.409 -0.747 30 20 DBED CN(CCCNC(=O)[C@@H]1CCC(=O)N1C)c1ccnc(C#N)n1 1095697060 VLTGQRVNHXUFJX-NSHDSACASA-N 316.365 -0.088 30 20 DBED Cc1nsc(N2CC[C@@H](NC(=O)CNC(N)=O)C2)c1C#N 1096322903 RBOGMXRCIFKYPA-MRVPVSSYSA-N 308.367 -0.314 30 20 DBED N#Cc1cnc(N2CC[C@@H](NC(=O)CCNC(N)=O)C2)cn1 1096378736 WLYWTCKOVGJTCJ-SECBINFHSA-N 303.326 -0.898 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CCNC(=O)C1)N=c1cc[nH]c(C#N)n1 1097773542 GGIKGRMNDLMJJF-VHSXEESVSA-N 302.338 -0.787 30 20 DBED CN1CC(=O)N(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC#N)C1=O 1098347136 LAAPDPBYMOXFGS-MXWKQRLJSA-N 305.338 -0.875 30 20 DBED C#CCCN(CCO)C1CCN(C(=O)[C@@H]2COC(=O)N2)CC1 1098359170 MNUVVNIPOJVKKR-ZDUSSCGKSA-N 309.366 -0.597 30 20 DBED C#CCN(CCO)C1CCN(C(=O)C[C@@H](C)NC(N)=O)CC1 1098368901 LUUHHFQSSQONKS-GFCCVEGCSA-N 310.398 -0.648 30 20 DBED N#Cc1cncc(N[C@H]2CCC[C@H](NC(=O)CNC(N)=O)C2)n1 1098590100 QNMGKJMPINMCHD-UWVGGRQHSA-N 317.353 -0.144 30 20 DBED Cc1cc(=N[C@H](C)CCNC(=O)CNC(N)=O)c(C#N)c[nH]1 1098781423 GKYWYJFPYDNGDZ-SECBINFHSA-N 304.354 -0.341 30 20 DBED N#CCN[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)C[C@H]1C(F)(F)F 1099299872 KBWDOGMLMKFKHG-BWZBUEFSSA-N 305.260 -0.830 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(Cc2nncn2C)C[C@@H]1O 1099740728 IRJLAHWJTMLQMM-RYUDHWBXSA-N 309.370 -0.931 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(Cc2ncccn2)C[C@H]1O 1099741462 UJMCLLHKPHBFFQ-CHWSQXEVSA-N 306.366 -0.269 30 20 DBED CNC(=O)NCC(=O)NCC[C@H](C)N=c1cc[nH]c(C#N)n1 1099747839 JOYSOMHUEBJBMZ-VIFPVBQESA-N 305.342 -0.994 30 20 DBED C#CCC1(C(=O)N[C@@H]2CCN(CC(=O)NCC)C[C@H]2O)CCC1 1099874827 RHJGAWLLCTXEND-ZIAGYGMSSA-N 321.421 -0.133 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)CS(=O)(=O)N(C)C)[C@H](O)C1 1100092170 KLRYLFPNXRSVCX-VXGBXAGGSA-N 319.427 -0.995 30 20 DBED C#CCNC(=O)[C@H](C)NC1CC(CNC(=O)c2ccnn2C)C1 1100166411 GCZIXCIJDOHRNW-HIFPTAJRSA-N 317.393 -0.344 30 20 DBED CC#CCCCC(=O)NCC1CC(NCC(=O)NC(N)=O)C1 1100590863 GKBXQIQQEKDQPC-UHFFFAOYSA-N 308.382 -0.141 30 20 DBED N#Cc1nccnc1N1CC[C@H](CNC(=O)Cn2cncn2)C1 1100982593 XYXUBQRIIVDJDM-LLVKDONJSA-N 312.337 -0.418 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)CCNC(N)=O)c3nccn32)C1 1101652365 FLHBMDCTDKFMML-LLVKDONJSA-N 316.365 -0.853 30 20 DBED Cc1nc(O)[nH]c1C(=O)N(C)CCN=c1cc[nH]c(C#N)n1 1101818747 CZLMASIZVWPZCS-UHFFFAOYSA-N 301.310 -0.309 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)c2csnn2)C1 1102195012 QXXAFVOBLXKENT-GHMZBOCLSA-N 321.406 -0.415 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CN(c2ncnc3[nH]cnc23)CCO1 1104302043 OWLPSCGJPPMTEB-NXEZZACHSA-N 315.337 -0.166 30 20 DBED Cc1cc(=NC[C@H](C)N(C)C(=O)Cn2ncnn2)c(C#N)c[nH]1 1104688438 HGAVMISPFVOGOT-NSHDSACASA-N 314.353 -0.371 30 20 DBED C#CCNCc1cn(C2CN(C(=O)c3nccc(C)n3)C2)nn1 1105223635 BOUJDWVQCIFQTJ-UHFFFAOYSA-N 311.349 -0.204 30 20 DBED CCC(=O)N[C@H](C)C(=O)N1CC(n2cc(CNCC#N)nn2)C1 1105246810 IBQNTTCSTHEUIM-SNVBAGLBSA-N 319.369 -0.811 30 20 DBED Cn1nccc1CC(=O)NC[C@@H](O)CNc1cncc(C#N)n1 1105805623 FIXRCOQJIFCTNT-LBPRGKRZSA-N 315.337 -0.787 30 20 DBED N#Cc1cncc(NC[C@H](O)CNC(=O)Cc2cncnc2)n1 1105806317 UKIVVSPTZMSPES-LBPRGKRZSA-N 313.321 -0.730 30 20 DBED N#Cc1nc(=NC[C@H](O)CNC(=O)C2CC3(CC3)C2)cc[nH]1 1106100755 WUQDYCDXVJOLQL-NSHDSACASA-N 301.350 -0.151 30 20 DBED C[C@@H](CCNc1ncccc1C#N)NC(=O)Cn1ncnn1 1106455068 ZFDCAKMCUPRIEE-JTQLQIEISA-N 300.326 -0.053 30 20 DBED CC1CC(C(=O)NC[C@@]2(C)CN(CC(=O)NCC#N)CCO2)C1 1107859187 RALAAUURVBGIKF-ZUEPYMLJSA-N 322.409 -0.121 30 20 DBED C[C@H](CN=c1cc[nH]cc1C#N)NC(=O)CCn1cnnn1 1107891158 MQROURVFSVCTFS-SNVBAGLBSA-N 300.326 -0.631 30 20 DBED C[C@H](CNc1ccc(C#N)nn1)NC(=O)[C@H]1CCCNC1=O 1107990034 LYEDURXJAGHGHY-KOLCDFICSA-N 302.338 -0.209 30 20 DBED COCC#CCN1CCO[C@](C)(CNC(=O)c2cccnn2)C1 1108298728 YRLKORKVJDMCGK-MRXNPFEDSA-N 318.377 -0.053 30 20 DBED C=C(C)CN1CCO[C@@](C)(CNC(=O)CN2C(=O)CCC2=O)C1 1108387941 VBRIPKKOIMWGFX-INIZCTEOSA-N 323.393 -0.081 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)[C@@H](C)CN2CCOCC2)C1 1108401184 OYYSZWQXSBZYNN-DOTOQJQBSA-N 323.437 -0.205 30 20 DBED C[C@H](O)CN1CC(N2C[C@H](NC(=O)C#CC(C)(C)C)CC2=O)C1 1108544647 HSTLHZIAIBKCIV-QWHCGFSZSA-N 321.421 -0.182 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)C[C@H](C)NC(N)=O)CC2=O)C1 1108544801 KGWXTEGUPIBOIV-QWRGUYRKSA-N 323.397 -0.979 30 20 DBED CN(C)C1(C(=O)N[C@H]2CC(=O)N(C3CN(CC#N)C3)C2)CCC1 1108551972 GZACYHDVMKXWDT-LBPRGKRZSA-N 319.409 -0.604 30 20 DBED C[C@@H](CNc1ccc(C#N)nn1)NC(=O)[C@@]1(C)CNC(=O)C1 1108610722 MOFGKSZKQYHDQA-LKFCYVNXSA-N 302.338 -0.209 30 20 DBED C[C@H](CN(C)c1cncc(C#N)n1)NC(=O)c1cn(C)nn1 1108925644 YMUFZRIYRUQGRS-SECBINFHSA-N 300.326 -0.269 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H](OC)C1CC1 1109226443 RSDZSJQHYNOSQO-HOSILWTGSA-N 319.405 -0.118 30 20 DBED C#CCCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCn1ncn(C)c1=O 1109557965 FCSCRGMBBBXWEI-RDBSUJKOSA-N 317.393 -0.283 30 20 DBED N#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CC[C@H]1NC(=O)NC1=O 1110078197 AMHBQJXEBSNMJV-ZNSHCXBVSA-N 305.338 -0.780 30 20 DBED N#Cc1cnc(NC2(CNC(=O)C3CS(=O)(=O)C3)CC2)cn1 1110242536 FHUUEPTXCTWKNE-UHFFFAOYSA-N 321.362 -0.546 30 20 DBED CN1C[C@H](C(=O)NCC2(Nc3nccnc3C#N)CC2)NC1=O 1110302338 ZZZOGCJAWRLVGJ-SNVBAGLBSA-N 315.337 -0.567 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1nc(=O)n(C)[nH]1 1110394688 JFVALYNBUPIBNN-DBIOUOCHSA-N 304.354 -0.510 30 20 DBED CO[C@H](C)C(=O)NC[C@]1(O)CCN(c2cnc(C#N)cn2)C1 1111025849 LDRLTWYHTQJGFC-QMTHXVAHSA-N 305.338 -0.559 30 20 DBED Cc1cc(NCCN(CCO)C(=O)[C@@H](C)C#N)n2ncnc2n1 1111436147 SZRYCUSMLSWHOB-JTQLQIEISA-N 317.353 -0.175 30 20 DBED CCN(C)CCC(=O)N(CCO)CCNc1cnc(C#N)cn1 1111506734 BIJODRMGMTWUCI-UHFFFAOYSA-N 320.397 -0.077 30 20 DBED C#CCO[C@@H](C)C(=O)N(CCO)CCN=c1cc[nH]cc1C#N 1111510918 PTFYUALVAUKJKP-ZDUSSCGKSA-N 316.361 -0.354 30 20 DBED Cc1ccc(C#N)c(NCCN(CCO)C(=O)c2cnn[nH]2)n1 1111585727 JZTKKFJEJZPJLG-UHFFFAOYSA-N 315.337 -0.074 30 20 DBED COCCC(=O)NC[C@H]1CN(c2ccncc2C#N)C[C@H]1O 1112690180 YAGYOHJISSQJAZ-GXTWGEPZSA-N 304.350 -0.097 30 20 DBED C[C@H](CNC(=O)[C@H]1COC(=O)N1)N(C)c1ccnc(C#N)n1 1113591485 XWVWTHVVOXWRJO-RKDXNWHRSA-N 304.310 -0.602 30 20 DBED N#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)CC[C@@H]3CCCO3)[C@H]2C1 1113890796 HKOCUIKYQHEODO-BCUIYNNISA-N 320.393 -0.368 30 20 DBED C=CCCN1C[C@H]2[C@H](NC(=O)CNS(=O)(=O)CC)[C@H]2C1 1114364480 YUDKNDXGVDIFDS-PJXYFTJBSA-N 301.412 -0.452 30 20 DBED COCC#CCN1C[C@@H]2C(NC(=O)c3ccnc(OC)n3)[C@H]2C1 1114548552 SMBPFVRWZYXAOU-RYUDHWBXSA-N 316.361 -0.205 30 20 DBED CCC[C@H](OC)C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1114669084 OJFQADYLVYZMNC-KZVDOYCCSA-N 308.382 -0.512 30 20 DBED CCC[C@H](OCC)C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1114719360 FORMHLLUQPYINY-SFDCQRBFSA-N 322.409 -0.122 30 20 DBED C=CCn1c(C2CC2)nnc1S(=O)(=O)Cc1nnn(C)n1 1118516418 ITJDTHLYYDHBHE-UHFFFAOYSA-N 309.355 -0.161 30 20 DBED CC#CCN(C)c1nnnn1C1CCN(CC(=O)NC)CC1 1120217053 LENZPIJZBOPITC-UHFFFAOYSA-N 305.386 -0.485 30 20 DBED Cc1nc(C(=O)NC[C@@H](CO)Nc2cncc(C#N)n2)co1 1121372611 XNBDBKMRPHEGBB-JTQLQIEISA-N 302.294 -0.153 30 20 DBED Cc1nc(O)[nH]c1C(=O)NC[C@@H](CO)Nc1cncc(C#N)n1 1122213686 OUDXGYHZYAZTFO-VIFPVBQESA-N 317.309 -0.712 30 20 DBED Cn1cncc1C(=O)NC[C@@H](CO)Nc1ccc(C#N)cn1 1122218938 QFIGOAHYYHVGGO-NSHDSACASA-N 300.322 -0.110 30 20 DBED Cc1nc(NC[C@H](O)CN(C)C(=O)[C@@H](C)C#N)nc(N(C)C)n1 1124190227 FEKDJGVGGSLKMM-ONGXEEELSA-N 321.385 -0.363 30 20 DBED CN(C[C@H](O)CNc1nccnc1C#N)C(=O)C(C)(C)C(N)=O 1124555088 VWQWRSZQRGEGKC-SECBINFHSA-N 320.353 -0.909 30 20 DBED COC[C@H](OC)C(=O)N(C)C[C@H](O)CNc1cncc(C#N)n1 1124722252 WLEKQDYBBXFQMN-NEPJUHHUSA-N 323.353 -0.759 30 20 DBED N#Cc1cc(C(=O)NCCNCc2nnnn2C2CC2)c[nH]1 1125988112 MCFJMDCHKOJKHK-UHFFFAOYSA-N 300.326 -0.273 30 20 DBED C=CCn1cccc1C(=O)NCCNCC(=O)N1CCOCC1 1129514171 OMYIHCPNZUNUIC-UHFFFAOYSA-N 320.393 -0.148 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cccc2nc(O)[nH]c12 1129687444 KGPBJVITBVAXCO-UHFFFAOYSA-N 315.333 -0.663 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1ccc(N(C)C)nc1 1130718352 PSYHKEISXNWJQD-LBPRGKRZSA-N 317.393 -0.395 30 20 DBED C#CCN1C[C@@H](F)C[C@@H]1c1n[nH]c(CNC(=O)CC(N)=O)n1 1131146809 MXPVIWFBGIXTSE-DTWKUNHWSA-N 308.317 -0.986 30 20 DBED CCN(CCC#N)C(=O)CN1C[C@H](NC(=O)C(N)=O)CC[C@@H]1C 1132253705 YMTNJAIENQAXEF-NWDGAFQWSA-N 323.397 -0.797 30 20 DBED C#CCNC(=O)CN1C[C@H](NC(=O)c2ncccn2)CC[C@@H]1C 1132377497 XWHDTGVBPQHANS-QWHCGFSZSA-N 315.377 -0.191 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)[C@]2(C)CCC(=O)N2)C1=O 1133473325 IAVHDGQHSSLGHR-NHYWBVRUSA-N 308.382 -0.852 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)c1cnn(C)n1 1135287007 RHPLXTOKMCFBGY-UHFFFAOYSA-N 306.370 -0.665 30 20 DBED N#CCNC(=O)CN1CCC2(C1)CN(C(=O)[C@@H]1CC13CC3)C2 1148335211 RKMJWGMOZLERSU-LBPRGKRZSA-N 302.378 -0.039 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)CCCN(C)C(C)=O)C1=O 1149248512 YMQPKWUDOHJANX-CQSZACIVSA-N 324.425 -0.262 30 20 DBED N#CCNC(=O)CN1CCCO[C@@H](CNC(=O)C2=CCCC2)C1 1149512242 BHSMIDCASDXMPR-AWEZNQCLSA-N 320.393 -0.056 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)[C@@]2(C)CCC(=O)NC2)C1 1150159956 SVBCWUWLXYDJHO-CJNGLKHVSA-N 307.394 -0.257 30 20 DBED C=CCNC(=O)CNCCNC(=O)CN1CCCCCC1=O 1150373579 ZVJBIUHUWGTXJK-UHFFFAOYSA-N 310.398 -0.603 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)NCCN[C@H](C)COC 1152404875 OXEWACAKFNBNAN-LLVKDONJSA-N 300.403 -0.009 30 20 DBED CCN(CCC#N)C(=O)CNCCCNC(=O)C1=COCCO1 1154360702 CLDNLBHRPZZUNS-UHFFFAOYSA-N 324.381 -0.267 30 20 DBED C=CCNC(=O)CN(CC)[C@H](C)CNC(=O)[C@H]1CCN(C)C1=O 1154719552 GSXHSFPYFPYEDU-CHWSQXEVSA-N 324.425 -0.407 30 20 DBED CCN(CCC#N)C(=O)CNCCCNC(=O)c1cn[nH]c1 1155017011 WSMLUQKEWCREOU-UHFFFAOYSA-N 306.370 -0.119 30 20 DBED C=CCOCCCC(=O)NCCCNCCNS(C)(=O)=O 1156166879 YBCHYSJOWQSMMA-UHFFFAOYSA-N 321.443 -0.386 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)[C@@H](C)NC(=O)CC 1158664050 ZLXONTKQEYIBDA-VXGBXAGGSA-N 310.398 -0.865 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)c1cn(C)ccc1=O 1162281325 NGVVQQMOGOSZQG-LBPRGKRZSA-N 318.377 -0.767 30 20 DBED COCC#CCNCCCNC(=O)[C@]1(C)CCN(C(C)=O)C1 1170442652 YRKNPGDGHRCNIC-MRXNPFEDSA-N 309.410 -0.009 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@H](C)N1CCCCC1=O 1176851132 TVNUALSOELITBW-ZDUSSCGKSA-N 322.409 -0.767 30 20 DBED N#CCN1CCO[C@H]2CCN(C(=O)C(=O)NCC(F)F)C[C@H]21 1177041252 GZHPNVUMZKMUIG-ZJUUUORDSA-N 316.308 -0.807 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)[C@H]2COCCN2C)[C@H]1C 1178488900 LQFTUJXQEBWFQX-MELADBBJSA-N 324.425 -0.802 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)C[C@H](C)OC)[C@@H]2C1 1187217260 QAAMQNKPQWNTLO-MELADBBJSA-N 307.394 -0.307 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)CCCC(N)=O)C1 1188384236 XLHKLNWBLNCQPO-VXGBXAGGSA-N 310.398 -0.477 30 20 DBED Cc1cc(CC(=O)N2CC[C@@H](N(C)CC(=O)NCC#N)C2)no1 1189419859 RVUNXAHXAUPSHB-CYBMUJFWSA-N 319.365 -0.302 30 20 DBED CN(CC(=O)NCC#N)[C@H]1CCN(C(=O)c2ccns2)C1 1190424543 XUHZFZUYDWEAOJ-JTQLQIEISA-N 307.379 -0.071 30 20 DBED CCCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)C#CC(C)C)C1 1192804861 KQUNLLSKZVVAHI-MGPQQGTHSA-N 309.410 -0.278 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CN(C[C@@H](O)CC(F)(F)F)C[C@H]1O 1192822049 SIVWWDPIMYFAKQ-QJPTWQEYSA-N 320.311 -0.126 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2cnoc2C)C[C@H]1O 1192891020 GDVOTLFTDWJCHN-IACUBPJLSA-N 307.350 -0.317 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)[C@H](C)CCOC)C1 1194134119 GPPHFKOTUKEIIS-ZIAGYGMSSA-N 309.410 -0.059 30 20 DBED C=C(C)CN(C)[C@@H]1CCN(C(=O)CNC(=O)Cn2cncn2)C1 1194237488 ABQHAMMPEJAIIK-CYBMUJFWSA-N 320.397 -0.497 30 20 DBED C[C@@H](C(=O)N1CCCN(CC(=O)NCC#N)CC1)n1cccn1 1194897902 OXSAFZDEIFTEBB-ZDUSSCGKSA-N 318.381 -0.382 30 20 DBED CC#CCCCC(=O)N[C@@H]1CN([C@@H](C)c2nnnn2C)C[C@H]1O 1195466558 AIGFBECAWJICEV-YNEHKIRRSA-N 320.397 -0.374 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCCN(CCS(C)(=O)=O)CC1 1195652539 RFUZSHHQKKXBRB-AWEZNQCLSA-N 318.439 -0.108 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C2(C)CCCCC2)C1 1195820977 DNFSOLSLIQYXIV-ZIAGYGMSSA-N 321.421 -0.133 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)COc2ccccc2)C1 1198111040 CSUFENBQBKMGPY-HZPDHXFCSA-N 318.373 -0.124 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)CC[C@H]2NC(=O)NC2=O)C1 1198507793 LMQAZCZTYFQRNL-IJLUTSLNSA-N 324.381 -0.898 30 20 DBED COc1ccccc1[C@@H](CNC(=O)Cn1ncnn1)NCC#N 1198732608 QCDLXCTVLCVXTH-GFCCVEGCSA-N 315.337 -0.348 30 20 DBED C=CCNC(=O)CNC[C@H]1CN(C(=O)c2cc[nH]n2)CCCO1 1199913087 IVDITHUMFOLWKN-LBPRGKRZSA-N 321.381 -0.467 30 20 DBED C=CCNCC1CCN(C(=O)[C@@H](CCC(N)=O)NC(C)=O)CC1 1206608547 TUHLCINQBSXMAO-CQSZACIVSA-N 324.425 -0.229 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCCN(C(=O)c2cnn(C)c2)C1 1207251480 JQIDDDGEUTVCSW-JSGCOSHPSA-N 317.393 -0.248 30 20 DBED COC[C@@H](O)CN[C@@H]1CCCN(C(=O)CSCC#N)C1 1207409419 DZRBAQJDWYEJGF-NEPJUHHUSA-N 301.412 -0.169 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCCN(C(=O)CNC(=O)CC)C1 1207701548 MLTHTAVQRSHBCR-STQMWFEESA-N 322.409 -0.769 30 20 DBED N#CCNC(=O)CN[C@H]1CCCN(C(=O)CO[C@@H]2CCOC2)C1 1208022073 UGTHTYHDSDVOTM-QWHCGFSZSA-N 324.381 -0.988 30 20 DBED CC#CCN[C@H]1CCCN(C(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 1208686209 CYLQXYNMNIPLNP-JSGCOSHPSA-N 315.377 -0.031 30 20 DBED C=CCN1C[C@@H](NC(=O)C(C)(C)S(C)(=O)=O)[C@H](OC)C1 1213506579 MWGGFXHREYHGIB-GHMZBOCLSA-N 304.412 -0.189 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2C)C[C@H]1C 1215336171 PRVOABGEIUSDNH-MCIONIFRSA-N 307.394 -0.307 30 20 DBED CC(C)NC(=O)NCCN1C[C@H](O)[C@H](NC(=O)[C@H](C)C#N)C1 1219381388 QZSOBRZQNFXEDW-UTUOFQBUSA-N 311.386 -0.985 30 20 DBED C#CCCCCC(=O)N[C@@H]1CN(CC(=O)N2CCC2)C[C@@H]1O 1219482411 ZYVWPDQZQHITFL-KGLIPLIRSA-N 307.394 -0.426 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)C2CCN(C)CC2)C1 1220269411 YORULZVRQSJCKC-CABCVRRESA-N 309.410 -0.861 30 20 DBED C#CCN1CCC(C(=O)N[C@@H]2CN(CCCOC)C[C@@H]2O)CC1 1221066228 MHNJGFHYERAPNK-CVEARBPZSA-N 323.437 -0.471 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1227252781 QNACIWBJIDPSDK-VXGBXAGGSA-N 310.354 -0.466 30 20 DBED N#CCNC(=O)CN1CCC(NC(=O)c2ncccn2)CC1 1229685729 JSRTXUJHNVNWTE-UHFFFAOYSA-N 302.338 -0.689 30 20 DBED C=CCO[C@H](C)C(=O)NC1CCN(Cc2nnnn2C)CC1 1230407274 LVVZNXKHNXPZCS-LLVKDONJSA-N 308.386 -0.118 30 20 DBED C=CCCC(=O)NCC[C@H]1CN(C[C@@H](C)O)CCS1(=O)=O 1230437234 XHMASSRLQUDZPM-OLZOCXBDSA-N 318.439 -0.061 30 20 DBED Cn1ccc(C(=O)NCC[C@H]2CN(CC#N)CCS2(=O)=O)c1 1230445707 VFZYUFIRJKUQHX-ZDUSSCGKSA-N 324.406 -0.232 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)c1cnn(CC)c1 1231264136 SLCAKGDVXCXPMU-CQSZACIVSA-N 317.393 -0.201 30 20 DBED C#CCOCCC(=O)N(C)C[C@@H]1CCN1CC(=O)NCC=C 1234255251 KHFMVBDGDGCTAO-AWEZNQCLSA-N 307.394 -0.139 30 20 DBED COCn1nccc1S(=O)(=O)NC1CCN(CC#N)CC1 1256388667 VJVDTEDJKIVEFV-UHFFFAOYSA-N 313.383 -0.247 30 20 DBED COC(=O)[C@]1(C)CCCN(C(=O)C(=O)N2CCO[C@H](C#N)C2)C1 1261367825 NABLNGRLODZPMW-IAQYHMDHSA-N 323.349 -0.461 30 20 DBED C=CCNC(=O)CNC(=O)COCC(=O)NCc1cccnc1 1319869206 DQPYQLFVAYKCRZ-UHFFFAOYSA-N 320.349 -0.867 30 20 DBED C#CCOCCNC(=O)C(=O)N(C)CCCn1ccnc1C 1323261088 QVRRSZWAGJWFGD-UHFFFAOYSA-N 306.366 -0.194 30 20 DBED Cn1c(=O)nc(O)c2nc(CCC(=O)NCCCC#N)[nH]c21 1323782563 GUOMNXUDUOLQFK-UHFFFAOYSA-N 304.310 -0.285 30 20 DBED N#CCC1(CNC(=O)C(=O)N2CCC[C@H](CNC(N)=O)C2)CC1 1324127279 YMRHRCRZAXMXKG-LLVKDONJSA-N 321.381 -0.297 30 20 DBED CC(=NNCCO)c1c(C)nn(CCS(C)(=O)=O)c1C 1324207257 LPPCRXYUTWULSQ-UHFFFAOYSA-N 302.400 -0.150 30 20 DBED COC[C@@H]1CN(C(=O)C(=O)N2CC[C@@](F)(C#N)C2)C[C@@H](C)O1 1325084321 PEHVVPIZYUUGEX-UHIISALHSA-N 313.329 -0.287 30 20 DBED N#C[C@H]1CC[C@@H](NC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C1 1325927366 ZEIQKYNJAZXHEL-DGAVXFQQSA-N 320.393 -0.226 30 20 DBED C#CCNC(=O)C1CCN(C(=O)C(=O)N[C@@H](C)CCOC)CC1 1326033386 ODWYSRGSKAKRTJ-LBPRGKRZSA-N 323.393 -0.484 30 20 DBED C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)CN1C1CC1 1326423583 LDFRCXKXVXBWGF-HSMVNMDESA-N 320.393 -0.395 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCC[C@]12CCOC2=O)[C@@H]1CCCO1 1327257240 AJJJDJFAOQQTRN-MQIPJXDCSA-N 320.345 -0.409 30 20 DBED C#CCOc1ccccc1CNC(=O)C(=O)N1CC[C@H](N)C1 1331470376 ONIMEZILWTYWMI-ZDUSSCGKSA-N 301.346 -0.126 30 20 DBED COC[C@@H](C)CC(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1 1341899057 PNHXAAUTODABOH-QWRGUYRKSA-N 316.379 -0.375 30 20 DBED N#C[C@H]1CC[C@@H](NC(=O)C(=O)NCc2nc(C(N)=O)cs2)C1 1350874924 SZDZMKRENMWSGC-JGVFFNPUSA-N 321.362 -0.333 30 20 DBED C=CCn1cc(Cn2nnnc2N(C)[C@@H]2CCN(C)C2=O)nn1 1355961709 FJWALCZFXABDFW-LLVKDONJSA-N 317.357 -0.834 30 20 DBED CCN1CC[C@H](CNC(=O)CCn2cc(C#N)c(O)nc2=O)C1 1361952555 KJXQLYFVVTVNSF-LLVKDONJSA-N 319.365 -0.331 30 20 DBED COC(=O)[C@@H]1CN(C)CCN(C(=O)Nc2nn(C)cc2C#N)C1 1365489494 ZPMRBMVJEZANIJ-LLVKDONJSA-N 320.353 -0.140 30 20 DBED N#Cc1cc(F)c(S(=O)(=O)NCCn2cnnn2)c(F)c1 1365718736 OFADYFRWHJSHPR-UHFFFAOYSA-N 314.277 -0.199 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNCc1nc(C(F)F)no1 1367584417 RMHCPLVRXWHSSG-BQBZGAKWSA-N 303.269 -0.266 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](C1CC1)N(C)C(=O)c1c[nH]c(=O)cn1 1370420841 GFQSIMXIQHOARP-CABZTGNLSA-N 317.349 -0.104 30 20 DBED C[C@H]1CN(C(=O)CN[C@H]2C[C@H](NC(=O)[C@@H](C)C#N)C2)CCO1 1370449804 WDDATZJZKBIAGY-CYDGBPFRSA-N 308.382 -0.370 30 20 DBED C=C(Cl)CNC[C@H](O)CNC(=O)[C@@H]1CCCN(C(N)=O)C1 1374631757 VJKNEEINLORROA-MNOVXSKESA-N 318.805 -0.404 30 20 DBED CC(C)n1cnc(C(=O)NC[C@@H](O)CNC(=O)[C@H](C)C#N)c1 1376658812 TUEYFADFKBMHBP-MNOVXSKESA-N 307.354 -0.169 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1cnn2ccccc12 1376678608 ZFCRKXMOCXADJR-GHMZBOCLSA-N 315.333 -0.299 30 20 DBED CC(=O)NCC(=O)N1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 1385050284 OHMAHASZBYRMIR-UHFFFAOYSA-N 303.322 -0.693 30 20 DBED COC[C@H](C)C(=O)N1CCN(CCNC(=O)[C@H](C)C#N)CC1 1396888354 HECBPCKVWVJKNT-OLZOCXBDSA-N 310.398 -0.311 30 20 DBED CC[C@@H](C(=O)NCCN1CCN(C(=O)[C@@H](C)C#N)CC1)N(C)C 1396894906 NLOJHEUMKFZZMC-KBPBESRZSA-N 323.441 -0.253 30 20 DBED C=C(Cl)CNC[C@@H](O)CNC(=O)c1ccc(C(N)=O)nc1 1401580989 ZANCDWXOXOLMBI-SNVBAGLBSA-N 312.757 -0.387 30 20 DBED C[C@@H](CNC(=O)Cn1ncnn1)NCc1ccc(C#N)s1 1402875452 ARAADSXUDOWYAG-VIFPVBQESA-N 305.367 -0.099 30 20 DBED CC[C@@H](CNC(=O)c1cn(C)c(=O)n1C)NC(=O)[C@@H](C)C#N 1409305475 JLRQNOPPNLOOTI-UWVGGRQHSA-N 307.354 -0.492 30 20 DBED Cn1c(=O)[nH]c(N2CCC3(CC2)COC(=O)N3)c(C#N)c1=O 1412876956 IKMSRYVKYSVFEH-UHFFFAOYSA-N 305.294 -0.976 30 20 DBED CCNC(=O)NC(=O)[C@@H](C)N1CC(CNC(=O)[C@@H](C)C#N)C1 1419011906 XHJWLCMMOGKSSQ-VHSXEESVSA-N 309.370 -0.572 30 20 DBED COCC1(CNc2[nH]c(=O)n(C)c(=O)c2C#N)CCOCC1 1421151502 DNAHXVDGTRGGPC-UHFFFAOYSA-N 308.338 -0.200 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCN(C)C(=O)c1cc(C(N)=O)ccn1 1431399649 QNQRBDCRBISRHN-JTQLQIEISA-N 317.349 -0.129 30 20 DBED C[C@H](C#N)C(=O)N(C)C[C@H]1CCN(C(=O)Cc2nc[nH]n2)C1 1432111238 KFCFFQQMPDYIBB-GHMZBOCLSA-N 304.354 -0.186 30 20 DBED COC(=O)C1(C#N)CCN(C(=O)NCc2nnn(C)n2)CC1 1434798783 UOGZGWNMKYJOLL-UHFFFAOYSA-N 307.314 -0.802 30 20 DBED N#Cc1cn(CC(=O)N2CCN(CC3CC3)CC2)c(=O)nc1O 1441829793 YMPMIOHCUVWTPK-UHFFFAOYSA-N 317.349 -0.625 30 20 DBED C[C@H](C#N)C(=O)NCCN(C)C(=O)[C@@H]1CCCCN1C(N)=O 1449182730 BJEQUAPDRZHMEQ-MNOVXSKESA-N 309.370 -0.346 30 20 DBED CCOCC(=O)N[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1O 1452630263 VRKVMULISGJKTN-VXGBXAGGSA-N 306.322 -0.776 30 20 DBED CC(=O)NCC(=O)NC[C@H](NC(=O)c1c[nH]c(C#N)c1)C1CC1 1454107248 PFYVPFRDMIFXRQ-ZDUSSCGKSA-N 317.349 -0.353 30 20 DBED C[C@H](C#N)C(=O)N1CCC(N(CCO)Cc2nc(O)n[nH]2)CC1 1479750607 NDXZLYKAWJZLCD-SNVBAGLBSA-N 322.369 -0.545 30 20 DBED CNC(=O)Cc1noc(CNC[C@H](C)CNC(=O)[C@@H](C)C#N)n1 1495633273 NNAACINJDPHNBC-UWVGGRQHSA-N 322.369 -0.640 30 20 DBED COCCN(CCNC(=O)[C@H](C)C#N)C(=O)c1csnn1 1511867132 MBPJCWLGIMWRPL-SECBINFHSA-N 311.367 -0.097 30 20 DBED CCCc1cc(C(=O)NC[C@@H](O)CNC(=O)[C@@H](C)C#N)n[nH]1 1533310241 ZIGCIAMBTKFMSF-ONGXEEELSA-N 307.354 -0.271 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)C[C@@H]2CCC(=O)N2C)CC1 1535888406 MGYQPQGOUHMCIZ-QWRGUYRKSA-N 306.366 -0.078 30 20 DBED C=C(Cl)C[C@H](NC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)C(=O)O 1573308308 UBBTYCYNHWGCSB-SGIHWFKDSA-N 305.714 -0.889 30 20 DBED C=CCCNC[C@@H](O)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 1573335873 WGEDACAIFQOVOL-SNVBAGLBSA-N 305.342 -0.549 30 20 DBED C#CCN(CC(=O)NC[C@](C)(O)C(=O)O)C(=O)OC(C)(C)C 1588394410 CLCREMZNFXSECS-AWEZNQCLSA-N 314.338 -0.192 30 20 DBED C[C@H](CN=c1cc[nH]c(-c2nn[nH]n2)n1)NC(=O)[C@H](C)C#N 1588930643 CGQMRQRVQZEBDT-HTQZYQBOSA-N 301.314 -0.845 30 20 DBED N#Cc1ncn(CC(=O)NCc2cccc(-c3nn[nH]n3)c2)n1 1592709602 JMJKZMJZTYRARX-UHFFFAOYSA-N 309.293 -0.354 30 20 DBED N#Cc1cn(CCO)c(=O)n(Cc2ccc(C(=O)O)cc2)c1=O 1594633928 ZPGBKPGTKGYBFG-UHFFFAOYSA-N 315.285 -0.380 30 20 DBED N#CCn1cc(NC(=O)C(=O)N2CC[C@@](F)(C(=O)O)C2)cn1 1601079279 STEHDNRBHVNDJG-LBPRGKRZSA-N 309.257 -0.630 30 20 DBED O=C(O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)O[C@H]1CNOC1 1602300868 XJXBCBYUNFNIIN-ZETCQYMHSA-N 318.263 -0.098 30 20 DBED COC(CN(CCC(=O)O)CC(=O)NC1(C#N)CCC1)OC 1606674675 NCWVEHDJMPAXOE-UHFFFAOYSA-N 313.354 -0.056 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@@H](NC(=O)CCc2nc[nH]n2)C1 1713820701 NHAWWFSDJFJFHS-VXGBXAGGSA-N 318.381 -0.934 30 20 DBED C=CCNC(=O)[C@@H](C)N(C)CCCNC(=O)[C@@H]1CCCNC1=O 1751994674 KFOOJUCZWXZHGR-CHWSQXEVSA-N 324.425 -0.359 30 20 DBED C[C@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@H]1CN(CC(=O)NCC#N)C2 1752543256 LLIFOWWUSXSGDL-ZOBORPQBSA-N 320.393 -0.274 30 20 DBED C#CCN1CCC(C(=O)NC[C@@H](C)N[C@@H](C)C(=O)NC)CC1 1752921652 WSOSBNIRNFJOFQ-OLZOCXBDSA-N 308.426 -0.440 30 20 DBED Cc1conc1C(=O)NC[C@H]1CCCN1CC(=O)NCC#N 1753113827 NTMLQJONJWOHKJ-LLVKDONJSA-N 305.338 -0.183 30 20 DBED CCN(CCNCC(=O)NCC#N)C(=O)[C@H]1CCOC[C@H]1C 1754066052 WOGZIABQFNPWIC-OLZOCXBDSA-N 310.398 -0.263 30 20 DBED C=CCCn1cc(C(=O)N[C@@H](C)CN[C@H](C)C(=O)NC)nn1 1754287062 LSUMLJNQBSKMOV-WDEREUQCSA-N 308.386 -0.303 30 20 DBED COCC#CCN1CC[C@H]1CNC(=O)[C@H](C)N1C(=O)CCC1=O 1754484772 HQTXRAIPSOLSPY-STQMWFEESA-N 321.377 -0.636 30 20 DBED C=CCNC(=O)CN1CC[C@@H]1CNC(=O)c1ccnc(C)n1 1754502345 GCXQJPNNTORZSN-GFCCVEGCSA-N 303.366 -0.109 30 20 DBED C#CCN1CCC(C)(CNC(=O)[C@@H](C)NS(C)(=O)=O)CC1 1754720963 XJPYEQXNYBARRX-GFCCVEGCSA-N 315.439 -0.224 30 20 DBED C#CCCN1CCC(F)(F)[C@@H](CNC(=O)Cn2ncnn2)C1 1754743662 PKCZSAXSKROVEO-NSHDSACASA-N 312.324 -0.230 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@]1(O)CCN(CCn2cccn2)C1 1754748125 FOKYQQFJXVXSHI-CVEARBPZSA-N 322.409 -0.237 30 20 DBED Cc1cc(C(=O)N2CCO[C@@H](CNCC(=O)NCC#N)C2)co1 1754999325 GLGYZWOZYKCIOK-ZDUSSCGKSA-N 320.349 -0.342 30 20 DBED C[C@H](CC(N)=O)C(=O)N1CCC(C)(NCC(=O)NCC#N)CC1 1755132347 XWGOVUIRVNINSK-LLVKDONJSA-N 323.397 -0.892 30 20 DBED CC#CCN1CCC(CO)(NC(=O)c2ccc(=O)n(C)c2)CC1 1755178814 RFHCOHYTGQNDPM-UHFFFAOYSA-N 317.389 -0.035 30 20 DBED COCC#CCN(C)[C@@H](C)CNC(=O)[C@@H](C)NS(C)(=O)=O 1755319728 SNMUCXYKNLEHCP-NWDGAFQWSA-N 319.427 -0.990 30 20 DBED CC#CCN1CCO[C@@]2(CCN(C(=O)CNC(=O)OC)C2)C1 1755399908 UQFZCEBVMMEAHI-HNNXBMFYSA-N 309.366 -0.331 30 20 DBED C=CCN1C[C@H]2[C@H](CNC(=O)CN3CC(=O)N(C)C3=O)[C@H]2C1 1755434614 UTOSIWGXMHIIPF-CNDDSTCGSA-N 306.366 -0.640 30 20 DBED C=CCNC(=O)CN[C@H](CO)CNC(=O)[C@@H]1Cc2ccccc21 1755637365 YUAQZMGDBGCBHY-DZGCQCFKSA-N 317.389 -0.305 30 20 DBED CC#CCN[C@@H](CO)CNC(=O)c1ccc(S(C)(=O)=O)o1 1755640164 FVSGJJFWBSBLMS-SNVBAGLBSA-N 314.363 -0.613 30 20 DBED CC#CCCCC(=O)NC1CC(CNC(=O)CNC(N)=O)C1 1755941077 AXOVQVGRLDFOCP-UHFFFAOYSA-N 308.382 -0.141 30 20 DBED C=CCOCC(=O)N[C@@H]1CC[C@H]2CN(C(=O)C(N)=O)C[C@@H]2C1 1756225559 RIBHRJUKIDZXCT-SDDRHHMPSA-N 309.366 -0.582 30 20 DBED C[C@H](C(=O)NC[C@@H](CO)NC(=O)CSCC#N)n1cccc1 1756513080 AFJLMXXNLDNLED-NEPJUHHUSA-N 324.406 -0.101 30 20 DBED CC(C)C#CC(=O)NC[C@@H](CO)NC(=O)[C@@H]1CN2CCC1CC2 1756517651 LZZLGYZKIINUOT-LSDHHAIUSA-N 321.421 -0.419 30 20 DBED C=C[C@@](C)(O)CC(=O)N1C[C@@H](NC(=O)c2cnnn2C)[C@H](C)C1 1757067427 WFDMBVRXEATOTG-UEKVPHQBSA-N 321.381 -0.281 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NC(=O)CC 1793248844 DHDRPMWCUWDLGC-OHTBPHCPSA-N 321.377 -0.876 30 20 DBED CO[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC(=O)O 1801991596 XPSMADIQBAJWLK-WISYIIOYSA-N 308.334 -0.253 30 20 DBED CCN(CC#N)S(=O)(=O)c1cccc(S(N)(=O)=O)c1 67717312 CROSYFFNEPADCB-UHFFFAOYSA-N 303.365 -0.132 30 20 DBED CCN1CCN(CC(=O)Nc2cnn(CC#N)c2)C(=O)C1=O 139398378 ZBCCWCGBQKNSBO-UHFFFAOYSA-N 304.310 -0.964 30 20 DBED C[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1cccnc1C#N 235284841 NWMVVUVRAHIEJM-SECBINFHSA-N 315.376 -0.239 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)NC[C@@]2(O)CCOC2)cc1 270063802 CWCBEIZEAKLQLI-HNNXBMFYSA-N 303.318 -0.444 30 20 DBED C[C@H](/N=C(/O)N(C)[C@@H]1COC[C@H]1O)[C@H](C)N1CCOCC1 329228400 BSFADTBRRRDDOL-WUHRBBMRSA-N 301.387 -0.299 30 20 DBED O=C(CN1CCS(=O)(=O)CC1)N1CC(/N=C(/O)C2CC2)C1 330297496 GWGRXXJBCXSJKY-UHFFFAOYSA-N 315.395 -0.706 30 20 DBED CCS(=O)(=O)C[C@H](C)/N=C(/O)N1CCC[C@H]1C(=O)NC 330439991 TZSBDCIATQJIRM-UWVGGRQHSA-N 305.400 -0.066 30 20 DBED COC[C@H](O)CC/N=C(/O)N[C@@H]1CCCN(S(C)(=O)=O)C1 330595550 XSPWLUYROAXXOK-GHMZBOCLSA-N 323.415 -0.689 30 20 DBED C[C@@H](O)C(=O)N1CCN(S(=O)(=O)CC2(C#N)CC2)CC1 331917795 FDNAERBFWFNORZ-SNVBAGLBSA-N 301.368 -0.855 30 20 DBED N#Cc1ccc(NCC(=O)NCCC(=O)N=c2cc[nH]cc2)nc1 345428410 NEPBPGXLXIMTOU-UHFFFAOYSA-N 324.344 0.327 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N=c2cc[nH]c(C)c2)C1=O 346816701 NCTVKLKPHRSXDE-UHFFFAOYSA-N 302.290 -0.273 30 20 DBED N#CCNC(=O)CNC(=O)Nc1cc(-n2cnnn2)ccc1F 349259454 VUDHDFCKECNRRP-UHFFFAOYSA-N 318.272 -0.437 30 20 DBED C=CCN1CC[C@H](N(C)S(=O)(=O)CCOCCOC)C1=O 352979202 AJHLYYXKLVMPIN-LBPRGKRZSA-N 320.411 -0.302 30 20 DBED Cc1c(C#N)cccc1NC(=O)C(=O)NCCS(N)(=O)=O 359501889 JROGVOKSAAZCQV-UHFFFAOYSA-N 310.335 -0.790 30 20 DBED C=CCNC(=O)CNC(=O)[C@H](C)N1C(=O)NC2(CCCC2)C1=O 367604590 ATFKYLQCULNYIU-JTQLQIEISA-N 322.365 -0.342 30 20 DBED CN(CC(C)(C)C#N)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O 432285288 KPXBPQZEJBKHLI-UHFFFAOYSA-N 314.367 -0.746 30 20 DBED C=CCC[C@H](CO)NC(=O)N[C@H](CC)CNS(C)(=O)=O 458953971 JYXDVJVCKWTLFJ-GHMZBOCLSA-N 307.416 -0.060 30 20 DBED C#CCN(C)CCCNC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 491554676 LGYPGCVKTOHLSI-UHFFFAOYSA-N 314.345 -0.099 30 20 DBED O=C(CNS(=O)(=O)c1ccc2c(c1)COC2)NCC#CCO 514798523 MFDLQTQUDAEDLM-UHFFFAOYSA-N 324.358 -0.893 30 20 DBED C[C@@H](C#N)CNC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C 518422264 QYLUCWJRRNHGGH-QMMMGPOBSA-N 303.322 -0.535 30 20 DBED CNS(=O)(=O)[C@H]1CCN([C@H](C)C(=O)NC2(C#N)CCC2)C1 527048379 WQPFJKJVHGOBQM-MNOVXSKESA-N 314.411 -0.439 30 20 DBED CN1CCC[C@@H](CNS(=O)(=O)N2CCO[C@H](C#N)C2)C1 548832768 PXIBOPOETQJCGX-NWDGAFQWSA-N 302.400 -0.613 30 20 DBED N#CCCN(CCN1CCOCC1)S(=O)(=O)N1CCC1 556811761 OJBGZVWTXYXKBO-UHFFFAOYSA-N 302.400 -0.515 30 20 DBED CC1(C)C[C@H](O)CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)C1 581499986 ZRFCEDWUOVXKQE-NEPJUHHUSA-N 317.411 -0.062 30 20 DBED CN(C)C[C@](C)(C#N)NC(=O)Cn1nnc2ccccc2c1=O 593155624 LJZARJLTOQUFMY-HNNXBMFYSA-N 314.349 -0.248 30 20 DBED C[C@@H](CO)C1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC1 593504488 HTCYIQGGLDPRPL-JTQLQIEISA-N 306.366 -0.200 30 20 DBED CO[C@H](CS(=O)(=O)NCC(=O)NCC#N)C1CCCC1 594779162 XYCWLAXRENTXNI-LLVKDONJSA-N 303.384 -0.249 30 20 DBED COc1cc(NC(=O)C(=O)N[C@@H]2COC[C@H]2O)c(F)cc1C#N 599979886 YDATUZYAGHNVCV-GHMZBOCLSA-N 323.280 -0.480 30 20 DBED CC[C@H](C)N(C)CCNC(=O)C(=O)N1CCN(CCC#N)CC1 602241768 KAVZGNVAXMJAKF-AWEZNQCLSA-N 323.441 -0.109 30 20 DBED CC#CC[C@H](CO)NC(=O)C(=O)Nc1ccc(C(N)=O)c(F)c1 646953770 FHSMSUGZEXQIAQ-SNVBAGLBSA-N 321.308 -0.246 30 20 DBED CC#CC[C@H](CO)NC(=O)C(=O)Nc1ccc(F)c(C(N)=O)c1 646954804 ALFNNDXJCSQMFG-SNVBAGLBSA-N 321.308 -0.246 30 20 DBED C=CCOCCNC(=O)C(=O)Nc1ccnc(OCCO)c1 657778188 BSLMSFXBZXCGNT-UHFFFAOYSA-N 309.322 -0.290 30 20 DBED Cn1c(N)c(C(=O)CN2CCC[C@H](CC#N)C2)c(=O)n(C)c1=O 661150861 UVDMGCHUQCBRAI-SNVBAGLBSA-N 319.365 -0.525 30 20 DBED C=C[C@H](CO)NCc1nnnn1-c1ccc(S(C)(=O)=O)cc1 662165462 HFIIMBUQIGXROR-SNVBAGLBSA-N 323.378 -0.298 30 20 DBED NC(=O)CNC(=S)NN=Cc1ccc(N2CCCC2)nc1 758370725 QXYBENNMZROXPW-UHFFFAOYSA-N 306.395 -0.035 30 20 DBED COC(=O)COc1ccc(C=NNCC(N)=O)cc1[N+](=O)[O-] 788722763 DMWVPRXCLAXCEO-UHFFFAOYSA-N 310.266 -0.445 30 20 DBED N#Cc1cnc(C(=O)NC[C@H]2CC(C(N)=O)=NO2)c(Cl)c1 793906511 ZIRSIPTYIGCWLH-SSDOTTSWSA-N 307.697 -0.033 30 20 DBED CNS(=O)(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N 795878314 ZRWJDORIBCHJHP-SECBINFHSA-N 304.372 -0.105 30 20 DBED C[C@@H](OC(=O)c1ccc(C#N)[nH]1)C(=O)NCCN1CCOCC1 805968657 SPMYCUWFJDRNLV-LLVKDONJSA-N 320.349 -0.120 30 20 DBED CC(C)C#CC(=O)N1CCN(C(=O)CN2CCOCC2)CC1 820195237 DDNKLPBUTPQXGU-UHFFFAOYSA-N 307.394 -0.351 30 20 DBED C#CC[C@@H](CO)NS(=O)(=O)c1ccc2c(c1)C(=O)NCC2 882342739 JHOFZXIUHQXVAI-NSHDSACASA-N 308.359 -0.365 30 20 DBED N#Cc1cc(-c2nc(-c3cn(CCO)c(=O)nc3O)no2)c[nH]1 904855276 CUSADBCJKIHDAE-UHFFFAOYSA-N 314.261 -0.142 30 20 DBED C#CCNCC(=O)Nc1ccc([C@]2(C)NC(=O)NC2=O)cc1 912285408 UVHPPKKTHWDDEW-HNNXBMFYSA-N 300.318 -0.098 30 20 DBED C#CC[C@H](CO)NC(=O)N[C@@H]1CCN(c2cc(C)nn2C)C1=O 920784212 BTUKVXBDHIZIRL-VXGBXAGGSA-N 319.365 -0.483 30 20 DBED N#Cc1cc(C(=O)N[C@H]2CCN(C(=O)c3cnon3)C2)c[nH]1 937852319 CSBDSWUTWYEKRV-VIFPVBQESA-N 300.278 -0.086 30 20 DBED CO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1NC(=O)c1cn(C)cn1 941531814 RQTGLCGSDPXBQY-HOSYDEDBSA-N 305.338 -0.465 30 20 DBED C=C1CC(C)(C(=O)N2CC[C@@H](NC(=O)[C@H]3CNC(=O)N3)C2)C1 942300631 MMBMNVSHNBSOMS-GHMZBOCLSA-N 306.366 -0.259 30 20 DBED C#CCN1C[C@H]2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)CC[C@H]2C1 946625683 AIQQTLSRYUITTJ-XQQFMLRXSA-N 318.377 -0.612 30 20 DBED C#Cc1ccccc1CC(=O)N1C[C@H]2C[C@H]1[C@H]2NC(=O)C(N)=O 947906627 ZCSIYQSGXJTAED-IPYPFGDCSA-N 311.341 -0.589 30 20 DBED CN1CCO[C@@H](C(=O)NC[C@@H]2CCN2C(=O)C#CC2CC2)C1 949238743 MCOCSEIIXZLQAI-UONOGXRCSA-N 305.378 -0.553 30 20 DBED NC(=O)CC(=O)N1CC[C@H]2CCN(C(=O)C#CC3CC3)[C@H]2C1 953303354 SFJNZRJRQPPDAV-STQMWFEESA-N 303.362 -0.275 30 20 DBED CCN(C(=O)C1CC2(C1)NC(=O)NC2=O)C1CN(CC#N)C1 953833342 DJVVVCRDHLKUMJ-UHFFFAOYSA-N 305.338 -0.969 30 20 DBED Cc1nn[nH]c1C(=O)N1CC(N(C)C(=O)c2cc(C#N)c[nH]2)C1 953994417 OGRZYQVXVMXIEN-UHFFFAOYSA-N 313.321 -0.091 30 20 DBED C[C@@H](C#N)C(=O)N1CC(N(C)C(=O)CC2CS(=O)(=O)C2)C1 954677558 MBXNEDONRSWCOC-VIFPVBQESA-N 313.379 -0.750 30 20 DBED N#CCN1C[C@H](CNC(=O)c2cnc3[nH]cnc3c2)[C@@H](O)C1 958105616 KNOLPTLZAYNIEN-JQWIXIFHSA-N 300.322 -0.496 30 20 DBED CC#CCN1C[C@H](O)[C@H](CNC(=O)c2cn(C)c(C)cc2=O)C1 958151620 KLNVMWJEVONQIZ-CJNGLKHVSA-N 317.389 -0.260 30 20 DBED N#CCN1C[C@H](CNC(=O)c2ccc3nc[nH]c3n2)[C@@H](O)C1 958161599 LGKTUERLZCANEM-CABZTGNLSA-N 300.322 -0.496 30 20 DBED Cc1nc[nH]c1CC(=O)N(C)[C@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1O 958908447 JEZDHIGZDVBNSQ-XDTLVQLUSA-N 319.365 -0.550 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)Cc1cnc[nH]1 961051736 YRFSSDCFGIUWSW-WCFLWFBJSA-N 317.349 -0.450 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2CN(C(=O)CC(N)=O)C[C@@H]2C1 961220703 MKYFDKQPVNIWAY-XQHKEYJVSA-N 321.377 -0.630 30 20 DBED Cc1ncc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)s1 961818754 RPXTWNSXHYGQMC-QNSHHTMESA-N 308.363 -0.087 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)c1ccnnc1 964380639 WTOLAGCGVMZDFY-PWSUYJOCSA-N 303.322 -0.407 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCCN(C(=O)C(N)=O)CC1 964933368 AQUFNMMUDKXOMN-AGIUHOORSA-N 323.393 -0.050 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC2(CN(C(=O)c3cnccn3)C2)C1 965472509 KZYGLLNDADCINJ-NSHDSACASA-N 315.333 -0.310 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@@H](N[C@@H]2CCNC2=O)C1 968954997 ZLDCRLKXXFCUCR-MCIONIFRSA-N 304.394 -0.837 30 20 DBED C=CCn1cc(C(=O)N[C@H](C)C2CN([C@H](C)C(N)=O)C2)nn1 970544698 QCVAFBQWTRQACM-NXEZZACHSA-N 306.370 -0.612 30 20 DBED C=C(Cl)CN[C@@H]1CCN(C(=O)Cn2nc(C)n(C)c2=O)C1 970610340 ZQSDXEKMLGVGSI-LLVKDONJSA-N 313.789 -0.167 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)c3cn(C)nc3OC)C2)C1 972494514 RMSGYXUXDHOIPU-MRXNPFEDSA-N 318.377 -0.021 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)[C@H]3C[C@H]3C(=O)N(C)C)C2)C1 972552172 KQBOJJYXXPWZQC-KEYYUXOJSA-N 319.405 -0.353 30 20 DBED C=CCN(C)[C@@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)C1 972720342 JCYJQZAGCSUHGT-SNVBAGLBSA-N 302.338 -0.250 30 20 DBED Cn1cnc(C(=O)N[C@H]2C[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)n1 973995025 MPNYSLRHXBKUCJ-AOOOYVTPSA-N 313.321 -0.294 30 20 DBED CC#CCN1C[C@H](NC(=O)CN2CCNC(=O)C2)C(C)(C)C1 974908791 CMCLHJSSDNAAKP-ZDUSSCGKSA-N 306.410 -0.732 30 20 DBED C[C@H](NCc1nnn(C)n1)[C@@H]1CN(C(=O)C#CC2CC2)CCO1 979332064 KZAXTEBWBHBSDU-AAEUAGOBSA-N 318.381 -0.671 30 20 DBED N#CCN1CCCN(C(=O)[C@@H]2CN3CC4CC3(CO2)C4)CC1 981645839 FSVGELGNBSYSDF-BBBYJDLNSA-N 304.394 -0.093 30 20 DBED C[C@H]1C[C@H](NCC#N)CN1C(=O)CN1C(=O)CC(C)(C)C1=O 988846562 WPECVJMHIHHBAX-QWRGUYRKSA-N 306.366 -0.126 30 20 DBED C#CCN[C@@H]1C[C@@H](C)N(C(=O)Cc2ccc(C(N)=O)nc2)C1 989037411 XPCHOOGWLRFSET-DGCLKSJQSA-N 300.362 -0.065 30 20 DBED Cn1c(C(=O)N2CC(NC(=O)c3ccc(C#N)[nH]3)C2)cnc1O 990868291 LILMKOISBQPIGY-UHFFFAOYSA-N 314.305 -0.420 30 20 DBED C[C@H](C#N)C(=O)N1CC(NC(=O)[C@@H]2CCc3nnnn3CC2)C1 1000325265 CVKYTEMGAADCBE-NXEZZACHSA-N 317.353 -0.888 30 20 DBED C#Cc1ccc(C(=O)N2C[C@H]3C(NC(=O)c4nc[nH]n4)[C@@H]3C2)cn1 1013583090 HFHHVDLWPPUDAX-VXGBXAGGSA-N 322.328 -0.319 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CCCN(C(=O)C(N)=O)[C@H]2C)cn1 1015108635 QMBUOLBQGZLAES-GXFFZTMASA-N 314.345 -0.343 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@H](NCCN3CCNC3=O)C2)[nH]1 1018731112 NARLDPLWKQGFAL-LBPRGKRZSA-N 316.365 -0.284 30 20 DBED COCC(=O)N1CCCO[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 1019559307 GZRGIMRUQLQTCY-GFCCVEGCSA-N 320.349 -0.120 30 20 DBED C[C@H]1[C@@H](NC(=O)[C@H]2COCCO2)CCN1C(=O)C#CC1CC1 1020248795 KOKIREZVBCJLGT-FPMFFAJLSA-N 306.362 -0.079 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)CC(N)=O)[C@@H]2C1 1021265203 XSHMRKRHFMNOIK-LOWDOPEQSA-N 321.377 -0.488 30 20 DBED C=C1CC(C)(C(=O)N2C[C@@H](O)[C@H](NC(=O)C3=COCCO3)C2)C1 1022978785 UUTNTKZQYLXKDJ-VXGBXAGGSA-N 322.361 -0.081 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)CC2CCN(C)CC2)C1 1023692045 XPHQCBOHNSTSMR-MRVWCRGKSA-N 322.409 -0.434 30 20 DBED C=CCn1cc(C(=O)NC2CN(CCc3cnn(C)c3)C2)nn1 1031069646 UBYMVRWZYYOFFW-UHFFFAOYSA-N 315.381 -0.146 30 20 DBED C#CCN1C[C@@H]2C[C@H]1CN2C(=O)CCc1nnc(O)nc1O 1032494862 KHRZCXYUANYHPT-UWVGGRQHSA-N 303.322 -0.866 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)c2cnn(CCOC)c2)C1 1035596301 QKXNIQDUGBGYCD-AWEZNQCLSA-N 306.366 -0.407 30 20 DBED C[C@@H]1CN(C(=O)CN2C(=O)CN(C)C2=O)CC[C@H]1NCC#N 1036287215 VWOXDXHZHVFKPF-GHMZBOCLSA-N 307.354 -0.769 30 20 DBED C#CCCN1CC[C@H]2CN(C(=O)C3CS(=O)(=O)C3)CC[C@@H]21 1036724616 JMGNOYJFDVXRKG-JSGCOSHPSA-N 310.419 -0.023 30 20 DBED CC#CCN1CC[C@H]2CN(C(=O)Cn3ncn(C)c3=O)CC[C@@H]21 1036753747 VWUNIFVXXUHDMU-KBPBESRZSA-N 317.393 -0.472 30 20 DBED C=CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)c1cc(=O)n2[nH]cnc2n1 1037675462 TVPUWHZHWHMSRU-QRTLGDNMSA-N 300.322 -0.594 30 20 DBED CC#CCN1CC[C@H]1CNC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 1038251524 BRMCYUYTTNFMSX-OLZOCXBDSA-N 315.377 -0.024 30 20 DBED C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1ncn(C)c1=O 1039396204 FXLRGEFQZSDGPF-OLZOCXBDSA-N 303.366 -0.720 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)C3=COCCC3)C2)nn1 1040946914 VDWJVGXVXODKJH-CHWSQXEVSA-N 315.333 -0.292 30 20 DBED C[C@H]1C[C@@H]1C(=O)NCC1(O)CN(C(=O)c2c[nH]c(C#N)c2)C1 1041286867 VDFPZBHRYDTMJC-CABZTGNLSA-N 302.334 -0.155 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)CCSC)C1 1041374990 WEMMSWSTWZNAPT-LLVKDONJSA-N 314.407 -0.533 30 20 DBED C[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1NC(=O)Cn1cncn1 1041946268 PDDFHGCRUVMHJQ-ZYHUDNBSSA-N 312.337 -0.419 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)CCOCC)C1 1042008840 CDHJECGUINBOQJ-UHFFFAOYSA-N 312.366 -0.858 30 20 DBED N#CCN1CC[C@@H]2CCN(C(=O)CN3CCC(=O)NC3=O)C[C@H]21 1042304612 PVVYCACHSHNDIM-VXGBXAGGSA-N 319.365 -0.625 30 20 DBED C#CCCCCC(=O)NCC1(O)CN(C(=O)c2ccnn2C)C1 1042659096 ZQPKXRSIPKAFCI-UHFFFAOYSA-N 318.377 -0.083 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)c2cc(C)n(C)n2)C1 1042801990 BFRYGYVUGQZDTG-UHFFFAOYSA-N 318.377 -0.165 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)[C@@H](C)NC(C)=O)C1 1042803297 WCUMNCOHANAWRH-LLVKDONJSA-N 309.366 -0.996 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(O)CN(C(=O)c2c[nH]nc2C)C1 1042814253 IDXCAAYRWYCAQV-AWEZNQCLSA-N 322.365 -0.652 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)C2[C@H]3CCC[C@H]23)C1 1043033115 QWGFGPPMSSQQNH-STQMWFEESA-N 320.389 -0.238 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)CO[C@H]2CCOC2)C1 1043046603 FHLVSTYRGGHZRV-ZDUSSCGKSA-N 324.377 -0.859 30 20 DBED CC[C@@H]1[C@@H](C(=O)NCC2(O)CN(C(=O)[C@@H](C)C#N)C2)CCN1C 1043273199 XXWOXTNNWCDPMM-RWMBFGLXSA-N 322.409 -0.434 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)[C@]2(C)CNC(=O)C2)C1 1043944227 KWOQVXZIAIXHAW-AWEZNQCLSA-N 309.366 -0.832 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)COCC(F)F)C1 1043963080 PSJGBJZXFIEBGX-UHFFFAOYSA-N 318.320 -0.383 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(O)(CNC(=O)c2cnco2)C1 1044126539 DAABKNYLEQEORF-MNOVXSKESA-N 321.333 -0.431 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)C2(CN(C)C)CC2)C1 1045386287 GRZTZOCQWIPTCD-UHFFFAOYSA-N 309.410 -0.016 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)CN2CCCC2)C[C@@H]1O 1049402798 YHNCNUSAMIXXBP-AGIUHOORSA-N 308.382 -0.728 30 20 DBED N#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)CN1CCOCC1=O 1049521080 FSAUSBHMMIOZJN-QWHCGFSZSA-N 306.366 -0.566 30 20 DBED CC(C)C#CC(=O)N1CC[C@@H]([C@H](C)NC(=O)c2nnn(C)n2)C1 1050648058 ICLKTPVNVIKZED-NWDGAFQWSA-N 318.381 -0.164 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)c1ccc2c(n1)OCCO2 1051003903 SEULZVCBVDLBQW-GFCCVEGCSA-N 317.345 -0.083 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)[C@H]1CCc2nncn2CC1 1051033492 HRQHVHLYCDGWMY-UONOGXRCSA-N 317.393 -0.319 30 20 DBED C#CCCN1CCOC[C@H]1CNC(=O)c1ccoc1CC(N)=O 1051083871 KOGCCSZBNDZKKK-GFCCVEGCSA-N 319.361 -0.239 30 20 DBED N#CCN1CCN([C@H]2CCN(C(=O)c3cncnc3O)C2)CC1 1052041300 YIRZGOVVVMZEOV-LBPRGKRZSA-N 316.365 -0.462 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCCN(CC(=O)NC)CC2)nn1 1052775259 RSGUZOCCNCXEDH-LBPRGKRZSA-N 320.397 -0.206 30 20 DBED C#CCN1CC2(C1)CN(C(=O)Cc1cnn(CC)c1)CCO2 1053505187 VOXNHMXASIPHOX-UHFFFAOYSA-N 302.378 -0.008 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)c3cn(CC=C)nn3)CO2)C1 1053949645 MIXJAABTBAUHNS-LBPRGKRZSA-N 301.350 -0.330 30 20 DBED CCCC(=O)NCC(=O)N1C[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2C1 1055211319 JPSVWHBYRSCYMY-UPJWGTAASA-N 320.393 -0.021 30 20 DBED C#CCOCCC(=O)N1C[C@H]2CN(C(=O)c3nc[nH]n3)C[C@H]2C1 1055337782 GQOVCQJVUYIIGZ-TXEJJXNPSA-N 317.349 -0.625 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@](CO)(NC(=O)c2ccn(C)n2)C1 1055955075 YJZUOKDOJQKQLG-XHDPSFHLSA-N 319.365 -0.337 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H]2[C@H]1CCCN2C(=O)COC 1056180266 WPJQCVUTIGMDCU-OLZOCXBDSA-N 321.377 -0.636 30 20 DBED Cn1cc(C(=O)NC2[C@H]3CN(c4ccc(C#N)cn4)C[C@H]23)nn1 1056198171 JLWWLSIGVGRICP-QWRGUYRKSA-N 309.333 -0.054 30 20 DBED N#Cc1cncc(N2C[C@H]3[C@H](NC(=O)Cn4nccn4)[C@H]3C2)n1 1056316325 UUSJQEKHWHFGFI-YABSGUDNSA-N 310.321 -0.809 30 20 DBED CN1CCO[C@@H](C(=O)N2CC[C@@H](Nc3nccnc3C#N)C2)C1 1056599817 POPIKOMYKZSJCW-DGCLKSJQSA-N 316.365 -0.308 30 20 DBED CN(c1ccncc1C#N)[C@@H]1CCN(C(=O)c2nnn(C)n2)C1 1057002383 LSWZUEMMKSWCPV-LLVKDONJSA-N 312.337 -0.172 30 20 DBED N#CCSCC(=O)N(CCO)CCNC(=O)c1ccccn1 1057026694 IFICXDUZNUMKBU-UHFFFAOYSA-N 322.390 -0.111 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)COCCCC 1057193673 NTQKOAWLISWRAA-UHFFFAOYSA-N 316.398 -0.057 30 20 DBED CCOCC(=O)NCCN(CCO)C(=O)c1cc(C#N)c[nH]1 1057291970 XRVHIDIEKXNMCL-UHFFFAOYSA-N 308.338 -0.526 30 20 DBED C=CCC(C)(C)C(=O)N(CCO)CCNC(=O)c1cnn[nH]1 1057602547 UMAYNOAZTPTLKB-UHFFFAOYSA-N 309.370 -0.042 30 20 DBED N#Cc1cncc(N2CC[C@H](NC(=O)C[C@H]3CCNC3=O)C2)n1 1058465741 YGJQYNYAUIYZQY-MNOVXSKESA-N 314.349 -0.431 30 20 DBED O=C(C#CC1CC1)NCCN(CCO)C(=O)[C@@]1(F)CCOC1 1058493488 VERIHJJABCFXHS-OAHLLOKOSA-N 312.341 -0.535 30 20 DBED CN1C(=O)CC[C@H]1C(=O)N[C@@H]1CCN(c2nccnc2C#N)C1 1058516304 JBHLGEUTPNMCLP-PWSUYJOCSA-N 314.349 -0.336 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)C[C@@](C)(O)C1CC1 1058653389 UIEHSWNCWRAJAU-XHDPSFHLSA-N 311.382 -0.366 30 20 DBED CCn1ccc(CC(=O)NCCN(CCO)C(=O)[C@H](C)C#N)n1 1058660838 JIPAAFSWGLZPIR-GFCCVEGCSA-N 321.381 -0.458 30 20 DBED N#Cc1ccc(N[C@H]2C[C@@H](NC(=O)[C@@H]3CCNC(=O)C3)C2)nn1 1059597230 URTVIWPTUHDLGC-JLLWLGSASA-N 314.349 -0.066 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[C@H](CNC(=O)C(N)=O)CC1 1060848921 FKTBMIFXBIJZKE-LPWJVIDDSA-N 323.393 -0.146 30 20 DBED C#CCCCC(=O)NC[C@H]1COCCN1C(=O)Cn1cncn1 1061540094 GKWHGIZMDLXKJF-ZDUSSCGKSA-N 319.365 -0.575 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)c1ccc(O)nn1 1061845521 IMODMCLIZSGSCH-VHSXEESVSA-N 319.321 -0.701 30 20 DBED N#Cc1nccc(N2C[C@@H]3C[C@H]2CN3C(=O)CCn2cncn2)n1 1062438501 LUDSGTDTUFUOLW-RYUDHWBXSA-N 324.348 -0.180 30 20 DBED Cc1cc(=NC[C@H]2CCCN2C(=O)CC(N)=O)c(C#N)c[nH]1 1063456336 CDKBXDUTBZAIAD-GFCCVEGCSA-N 301.350 -0.038 30 20 DBED CC(C)N(C)CC(=O)NC[C@@H]1CN(C(=O)[C@@H](C)C#N)CCO1 1065559374 CCJZIEJXCFYQID-QWHCGFSZSA-N 310.398 -0.170 30 20 DBED N#Cc1nccc(N2CCOC[C@H]2CNC(=O)c2cnn[nH]2)n1 1066530360 DWAVRACXKNCSJP-SECBINFHSA-N 314.309 -0.898 30 20 DBED C=CCOCC(=O)N1CC2(C[C@@H](NC(=O)CCOC)CO2)C1 1068646764 NGQYCEWZSWUTDX-GFCCVEGCSA-N 312.366 -0.288 30 20 DBED C=CCOCC(=O)N[C@H]1COC2(C1)CN(C(=O)[C@H](C)C#N)C2 1068764362 OZWWKGVYDOHITK-VXGBXAGGSA-N 307.350 -0.165 30 20 DBED C[C@H]1[C@H](N=c2cc[nH]c(C#N)n2)CCN1C(=O)c1nccnc1N 1068799530 ZFQRHQAWJIIXQC-VHSXEESVSA-N 324.348 -0.143 30 20 DBED C=CCCC(=O)N1CC2(C[C@@H](NC(=O)[C@H](C)CC(N)=O)CO2)C1 1068943959 VBVNQVPGPFVAQR-VXGBXAGGSA-N 323.393 -0.050 30 20 DBED C#CCCCC(=O)N1CC2(C[C@@H](NC(=O)c3nc[nH]n3)CO2)C1 1068954385 DSQBSQMHFMMZID-LLVKDONJSA-N 317.349 -0.292 30 20 DBED C=CCN1CCn2ncc(CNC(=O)c3c[nH]c(=O)cn3)c2C1 1069871643 JDZPOVXVHNOINC-UHFFFAOYSA-N 314.349 -0.102 30 20 DBED Cc1nccn1CC(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1 1070095014 PYLCWOLYRYLCDP-OLZOCXBDSA-N 314.353 -0.652 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)Cn2nccn2)CCOCC1 1070232132 CMKYCXKYPZQSRA-NSHDSACASA-N 320.353 -0.781 30 20 DBED C#CCN1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2COCCO2)C1 1070397621 GFMNZYGSOMWEGA-TZMCWYRMSA-N 318.377 -0.136 30 20 DBED C#CCCN1C[C@H]2C[C@H]3CN(C(=O)[C@@H]4COC(=O)N4)C[C@@]3(C1)O2 1070793281 DOOSWTUVKKSYOK-RSUWNVLCSA-N 319.361 -0.580 30 20 DBED C=CCOCC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CN(C)C(=O)N2)C1 1071070188 DURIHSHROZWHNW-NEPJUHHUSA-N 324.381 -0.680 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CCCN(C(=O)c2c[nH]c(=O)cn2)C1 1071198133 INCAKRUNYAIZKG-VHSXEESVSA-N 303.322 -0.350 30 20 DBED C[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1NC(=O)CNC(N)=O 1071926043 RTZZVZQTDHAXSZ-GZMMTYOYSA-N 318.337 -0.869 30 20 DBED C#CCOCCC(=O)N1C[C@H](C)[C@@H](NC(=O)C2(C(N)=O)CC2)C1 1072102986 YZBWRHHFOGQINO-RYUDHWBXSA-N 321.377 -0.745 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(C(=O)CCn2cnnn2)C[C@H]1C 1072599035 FATWVXXBBMNBJW-CHWSQXEVSA-N 318.381 -0.170 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)c3nccnc3N)C[C@H]21 1074195298 SMOWAQRTCKUGMN-VXGBXAGGSA-N 301.350 -0.393 30 20 DBED N#CCN1CCO[C@H]2CCN(C(=O)c3cncnc3O)C[C@@H]21 1074277013 WJEKFVANDXKLCS-RYUDHWBXSA-N 303.322 -0.379 30 20 DBED C=CCCC(=O)NCC1(O)CCN(C(=O)c2ncn(C)n2)CC1 1074573389 ISHOKDIOFRBOCN-UHFFFAOYSA-N 321.381 -0.135 30 20 DBED C#CCN[C@H]1CCO[C@@H](C2CCN(C(=O)CC(N)=O)CC2)C1 1075388044 GRKXICYTCNHLRG-UONOGXRCSA-N 307.394 -0.129 30 20 DBED C#CCOCCC(=O)N[C@@H](C)CCNC(=O)C[C@@H]1COC(=O)C1 1076155949 VIYSIPSUWVBXON-STQMWFEESA-N 324.377 -0.010 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)c2cnc3[nH]nnc3c2)C1 1077141978 LWAUXSTYDACUOQ-GHMZBOCLSA-N 322.756 -0.120 30 20 DBED C[C@@H](CCNC(=O)c1cc(C(N)=O)ccn1)NC(=O)[C@H](C)C#N 1077323336 ITTPJANBAXOKFK-ZJUUUORDSA-N 317.349 -0.035 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@@H]1CCCN(C(=O)Cn2cnnn2)CC1 1079058867 JQCJIVPOGDHDSD-VXGBXAGGSA-N 319.369 -0.328 30 20 DBED C=CCCOCC(=O)N1CC(N(CC)C(=O)[C@H]2CCC(=O)N2)C1 1079486956 NYMFWNDQCALUIQ-CYBMUJFWSA-N 323.393 -0.083 30 20 DBED CCN(C(=O)CN1CCOCC1=O)C1CN(C(=O)[C@H](C)C#N)C1 1079967859 AXIUBQNXHHFNJC-LLVKDONJSA-N 322.365 -0.936 30 20 DBED CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 1080417219 YDXJOMDJAOQBID-UHTWSYAYSA-N 320.393 -0.070 30 20 DBED C=CCCOCC(=O)N1CCC(CO)(NC(=O)COC)CC1 1080676544 FFXSVQKHVUNBOR-UHFFFAOYSA-N 314.382 -0.305 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1NC(=O)CN1C(=O)NC(=O)C1(C)C 1080723706 OHHFUFQCDZZAMZ-NXEZZACHSA-N 307.354 -0.723 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)c2nonc2C)C[C@H]1O 1081333345 RVBGRXDBXNTTGM-GHMZBOCLSA-N 308.338 -0.107 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)c2cnon2)C[C@H]1O 1081462946 HXFDMXKVCYNICY-ZYHUDNBSSA-N 306.322 -0.722 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2ccn(C)n2)C1 1081496386 JMBVLUMJJXHQGC-WCQYABFASA-N 322.365 -0.828 30 20 DBED C=CCOCC(=O)NC[C@@H]1CCCCN1C(=O)CNC(C)=O 1081841391 TUASFCNQTRWSQG-ZDUSSCGKSA-N 311.382 -0.178 30 20 DBED CC#CCN1C[C@@H](NC(=O)c2ccc(=O)n(C)c2)[C@H](OC)C1 1081890777 IUHNVWQNMSCXMN-ZIAGYGMSSA-N 303.362 -0.162 30 20 DBED C=CCN1C[C@@H](NC(=O)[C@]2(C)CCCS2(=O)=O)[C@H](OC)C1 1082224586 QMRIOTNFPDAFCR-BZPMIXESSA-N 316.423 -0.045 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CN(Cc3nncs3)C[C@@H]2O)c1 1083390569 XAMFEMSBLXTFRP-MNOVXSKESA-N 318.362 -0.287 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)c2cnc3c(c2)nnn3C)C1 1083649970 ZATHHIRJAUHJMZ-NEPJUHHUSA-N 302.338 -0.676 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN(Cc3nnn(C)n3)C[C@@H]2O)C1 1083756565 ZYTWKOPNSFNDOZ-MNOVXSKESA-N 306.370 -0.772 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN([C@H]3CCC(=O)NC3=O)C[C@@H]2O)C1 1083762183 DUVGIPPAXJUZRR-WOPDTQHZSA-N 321.377 -0.691 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)C(C)(C)N2CCOCC2)C1 1083864491 RFBZWVAWXSTTOK-KGLIPLIRSA-N 309.410 -0.718 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)CC[C@@H]3NC(=O)NC3=O)[C@@H]2C1 1084819958 ZFSWWHONYBMFIB-GRYCIOLGSA-N 304.350 -0.860 30 20 DBED N#Cc1cccc(CN2CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C2)c1 1090531121 ILGWRMDGSOSSGR-OLZOCXBDSA-N 302.334 -0.905 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2cnn(C)c2OC)[C@H](O)C1 1090759103 CUDAGPXYNCNRRX-QWHCGFSZSA-N 306.366 -0.383 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@@H]1O 1091118629 QVUJPQMSWPZFQW-OLZOCXBDSA-N 317.349 -0.393 30 20 DBED C[C@@]12CN(CC(N)=O)C[C@@H]1CN(C(=O)c1cc(C#N)c[nH]1)C2 1091574758 PUSDDOILVUAYQP-ABAIWWIYSA-N 301.350 -0.234 30 20 DBED CC[C@H](NC(C)=O)C(=O)N1CCN(c2cnc(C#N)cn2)CC1 1093196898 NAHRCKACZAJWIY-ZDUSSCGKSA-N 316.365 -0.088 30 20 DBED Cc1cc(=NCCNC(=O)c2cnc(O)n2C)c(C#N)c[nH]1 1094061037 XZLVIYQLLLTCSB-UHFFFAOYSA-N 300.322 -0.035 30 20 DBED C#CCN1CC(n2cc(CNC(=O)[C@H]3CO[C@H](C)C3)nn2)C1 1094301956 IMBRAVXXSJVURS-VXGBXAGGSA-N 303.366 -0.191 30 20 DBED C#CCN1CC(n2cc(CNC(=O)[C@H]3CCC(=O)N3C)nn2)C1 1094312826 SDCKHOFAVIYYCN-CYBMUJFWSA-N 316.365 -0.995 30 20 DBED C[C@@H]1OCC[C@H]1C(=O)NCc1cn(C2CN(CC#N)C2)nn1 1094330419 IOYDNJIPBBBOEU-GXFFZTMASA-N 304.354 -0.300 30 20 DBED N#Cc1ccc(NCCCNC(=O)[C@@H]2CCCNC2=O)nn1 1094628237 NPZZUASVFQVIQH-LLVKDONJSA-N 302.338 -0.207 30 20 DBED CN(C)C(=O)CC(=O)N1CCCN(c2ccc(C#N)nn2)CC1 1095207313 HRXVUDVUMQBVTR-UHFFFAOYSA-N 316.365 -0.135 30 20 DBED CN(CCCNC(=O)[C@H]1CCC(=O)NC1)c1cnc(C#N)cn1 1095777578 JECNBKIKEUNOCY-NSHDSACASA-N 316.365 -0.183 30 20 DBED C[C@@H](CNC(=O)[C@H](C)N1CCOCC1)Nc1cnc(C#N)cn1 1097926281 ZZLKVOJTARGIRB-RYUDHWBXSA-N 318.381 -0.014 30 20 DBED CCn1cc(C(=O)N2CCC(N(CC#N)CCO)CC2)nn1 1098515607 HKFGXFFOYSGYLD-UHFFFAOYSA-N 306.370 -0.280 30 20 DBED C=CCNCc1cn([C@@H]2CCN(C(=O)[C@@H]3COCCO3)C2)nn1 1098622791 QAPGNLDTCXLSDK-KGLIPLIRSA-N 321.381 -0.258 30 20 DBED CCC(=O)NCC(=O)N1CC[C@H](n2cc(CNCC#N)nn2)C1 1098644987 HGORRJCMKZQCBE-LBPRGKRZSA-N 319.369 -0.809 30 20 DBED CC(C)(C)NC(=O)CN1CC[C@@H](NC(=O)C#CC2CC2)[C@@H](O)C1 1099812551 FVQQIDLEGFSRRF-KGLIPLIRSA-N 321.421 -0.134 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)C2(CCC)CC2)[C@@H](O)C1 1099992269 WQEZGUMKQBYRJH-KGLIPLIRSA-N 321.421 -0.133 30 20 DBED C=C(Cl)CN1CC[C@H](NC(=O)C(=O)NCC2CC2)[C@@H](O)C1 1100056270 RGHRYEQBUYNENM-RYUDHWBXSA-N 315.801 -0.184 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CCc2cnccn2)[C@@H](O)C1 1100067106 MUXRHXDYIHHQIL-CABCVRRESA-N 302.378 -0.016 30 20 DBED C#CCNC(=O)[C@H](C)NC1CC(CNC(=O)c2cncn2C)C1 1100482543 MIYOBMYODNZJGV-HIFPTAJRSA-N 317.393 -0.344 30 20 DBED N#Cc1nccnc1N1CC[C@H](CNC(=O)CCNC(N)=O)C1 1100980175 LQZAENYEJOAGQY-SNVBAGLBSA-N 317.353 -0.651 30 20 DBED CCc1nc(C#N)cc(N2CC[C@H](CNC(=O)C(N)=O)C2)n1 1101048628 LWQIAHLKYCOHLG-SECBINFHSA-N 302.338 -0.662 30 20 DBED CC(C)(C(N)=O)C(=O)NCCN(c1ccnc(C#N)n1)C1CC1 1101400793 OYMDLRSBIIXVBW-UHFFFAOYSA-N 316.365 -0.055 30 20 DBED C=CCN1CC2(C[C@@H](NC(=O)CS(C)(=O)=O)c3nccn32)C1 1101612284 TUNPKHXATJVVOC-LLVKDONJSA-N 324.406 -0.314 30 20 DBED Cc1cc(C#N)nc(NCCN(C)C(=O)[C@H]2CCNC2=O)n1 1101903133 REMCPTMQYDOWDH-NSHDSACASA-N 302.338 -0.337 30 20 DBED CN(CCNc1ccc(C#N)cn1)C(=O)c1nnc(O)nc1O 1102050378 LMCMCAVOCDONSC-UHFFFAOYSA-N 315.293 -0.266 30 20 DBED CNC(=O)CC(=O)N1CC[C@@H](CN(C)c2ccnc(C#N)n2)C1 1102437942 BHJPOWIEMUTHQU-NSHDSACASA-N 316.365 -0.231 30 20 DBED C[C@H](CNC(=O)c1c[nH]c(=O)cn1)CNc1cnc(C#N)cn1 1104167287 QZSYRRIPBCTNBP-VIFPVBQESA-N 313.321 -0.090 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)CN1CCOCC1 1104528856 WNXQVRXPCMSDOU-LBPRGKRZSA-N 318.381 -0.639 30 20 DBED N#CCNCc1cn(C2CN(C(=O)C3=COCCC3)C2)nn1 1105185849 VCPFAWCACJWRDJ-UHFFFAOYSA-N 302.338 -0.031 30 20 DBED CCNC(=O)CC(=O)N(C)CCN(C)c1ccnc(C#N)n1 1105369127 PTYUVGLRWMTLCD-UHFFFAOYSA-N 304.354 -0.231 30 20 DBED CC(C)C#CC(=O)NC[C@@H](O)CN=c1ccc2ncc[nH]c-2n1 1105811971 NLMFKXASSDVGDY-LBPRGKRZSA-N 313.361 -0.053 30 20 DBED Cn1cnc(C(=O)NC[C@H](O)CNc2ccc(C#N)nc2)n1 1105816292 VWNFHKYJKOIFOT-LLVKDONJSA-N 301.310 -0.715 30 20 DBED O=C(C#CC1CC1)NC[C@@H](O)CN=c1ccc2ncc[nH]c-2n1 1105826123 YUIGLPGZLNAXNQ-LBPRGKRZSA-N 311.345 -0.299 30 20 DBED Cc1cc(=NC[C@@H](O)CNC(=O)CN2CCCC2)c(C#N)c[nH]1 1105856172 OUVNZLSSHITUMG-CQSZACIVSA-N 317.393 -0.332 30 20 DBED COCC[C@@H](C)C(=O)NC[C@@H](O)CNc1ccc(C#N)nn1 1105860136 PZBRCMNHSOZCIU-PWSUYJOCSA-N 307.354 -0.090 30 20 DBED C[C@]1(C(=O)NC[C@@H](O)CNc2ncccc2C#N)CNC(=O)C1 1106027487 INROJKFUBWXFNH-XHDPSFHLSA-N 317.349 -0.632 30 20 DBED Cc1nocc1C(=O)NC[C@H](O)CNc1ccc(C#N)nn1 1106082904 FEBZSACTSTZXLB-SNVBAGLBSA-N 302.294 -0.153 30 20 DBED Cc1ccnn1CC(=O)NC[C@@H](O)CNc1nccnc1C#N 1106133380 JJRMPALXZHCPLI-LLVKDONJSA-N 315.337 -0.558 30 20 DBED CNC(=O)NCC(=O)NC[C@H](O)CNc1cccc(F)c1C#N 1106146623 DJOJYWUMUJYSRT-SECBINFHSA-N 323.328 -0.485 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)CCN(C)C)C[C@H]1C 1106622643 JASKYTYUNOWSRU-ZIAGYGMSSA-N 308.426 -0.628 30 20 DBED C#CCNC[C@@H]1CN(C(=O)c2cn(C)c(=O)n(C)c2=O)C[C@H]1C 1106721832 NPNXVENIRVFHAR-VXGBXAGGSA-N 318.377 -0.985 30 20 DBED C#CCN1CC(n2cc(CNC(=O)CCn3cccn3)nn2)C1 1107129204 MGELPPBUQFJXML-UHFFFAOYSA-N 313.365 -0.329 30 20 DBED CC(=O)N1CC(C(=O)NC/C=C/CN=c2cc[nH]cc2C#N)C1 1107168960 RGXAYWJVKAMHJZ-NSCUHMNNSA-N 313.361 -0.062 30 20 DBED N#Cc1cnc(NC/C=C/CNC(=O)[C@@H]2CCNC2=O)cn1 1107452758 ULJHWCHKOVDGPS-GXFZAYBSSA-N 300.322 -0.431 30 20 DBED C=CCOCC(=O)NC[C@@]1(C)CN(Cc2nnn(C)n2)CCO1 1107810642 FIBYEZXUNRBHAW-AWEZNQCLSA-N 324.385 -0.880 30 20 DBED CC(C)C#CC(=O)NC[C@]1(C)CN([C@H]2CCNC2=O)CCO1 1107927428 WNGFXOJAUQOGNE-XJKSGUPXSA-N 307.394 -0.259 30 20 DBED CC[C@H](C(N)=O)N1CCO[C@@](C)(CNC(=O)C#CC2CC2)C1 1107932326 JZOWHJMPCZPRAM-CJNGLKHVSA-N 307.394 -0.129 30 20 DBED C[C@H](CNc1cnc(C#N)cn1)NC(=O)[C@@]1(C)CNC(=O)C1 1108015889 FFUDFKQRUQGSMI-YMTOWFKASA-N 302.338 -0.209 30 20 DBED C=CCNC(=O)CN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC(=O)NC)C2 1108670057 QAMGXLDMWOZAIL-AVGNSLFASA-N 322.409 -0.606 30 20 DBED CN(CCCN=c1cc[nH]c(C#N)n1)C(=O)[C@@H]1CCC(=O)N1 1109486968 UCHNYVPSOLBQTJ-JTQLQIEISA-N 302.338 -0.691 30 20 DBED CC(=O)NCC(=O)N[C@@]1(C)CCN(c2ccnc(C#N)n2)C1 1110719723 YGGSCQOJMXOVBO-AWEZNQCLSA-N 302.338 -0.431 30 20 DBED C=CCOCC(=O)N(C)[C@H]1CN(c2nccc(C)n2)C[C@@H]1O 1111175496 IAQPEYFBOBBZLG-STQMWFEESA-N 306.366 -0.004 30 20 DBED N#Cc1nccnc1NCCN(CCO)C(=O)[C@@H]1CCCO1 1111412778 DYGAEDBJMSERDE-LBPRGKRZSA-N 305.338 -0.240 30 20 DBED Cc1nn[nH]c1C(=O)N(CCO)CCN=c1cc[nH]cc1C#N 1111535874 ZYRQYDYVPIIWFM-UHFFFAOYSA-N 315.337 -0.652 30 20 DBED N#Cc1ccc(NCCN(CCO)C(=O)[C@@]2(F)CCOC2)nn1 1111546388 INBMPNUDWBIYQX-CQSZACIVSA-N 323.328 -0.290 30 20 DBED N#Cc1nccc(NC2(CNC(=O)CNC(N)=O)CCC2)n1 1111762243 ITQQSUIPUJDSSW-UHFFFAOYSA-N 303.326 -0.533 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)c2cncc(F)c2)CC1 1112764235 WPVKEKMKWVKPKJ-UHFFFAOYSA-N 305.313 -0.382 30 20 DBED CCS(=O)(=O)NCCN1CCN(C(=O)C#CC(C)C)CC1 1112834476 PNGIDIYVUWOLOB-UHFFFAOYSA-N 315.439 -0.271 30 20 DBED C[C@H](NC(=O)CCn1cncn1)[C@@H](C)N=c1cc[nH]c(C#N)n1 1112955858 WBAJJTXURKUOFM-MNOVXSKESA-N 314.353 -0.243 30 20 DBED CNC(=O)NCC(=O)N[C@H](C)[C@@H](C)Nc1cnc(C#N)cn1 1113350436 UDWUUFGGAJHTJR-RKDXNWHRSA-N 305.342 -0.418 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@H](C)N(C)c1nccn2nnnc12 1113582829 QDKDXAOUWKEMHK-YGRLFVJLSA-N 319.369 -0.213 30 20 DBED C[C@@H](CNC(=O)CCn1cnnn1)N(C)c1ccc(C#N)nn1 1113686165 UURUCLUAODGRFN-JTQLQIEISA-N 315.341 -0.634 30 20 DBED C[C@H](CNC(=O)[C@H]1CN(C)C(=O)N1)N(C)c1ccc(C#N)nc1 1113801851 BKYHBLTZNZEQAV-ZWNOBZJWSA-N 316.365 -0.082 30 20 DBED CNC(=O)NCC(=O)NC[C@@H](C)N(C)c1ccc(C#N)nn1 1113937988 AYRFSRFOXKFZHH-SECBINFHSA-N 305.342 -0.782 30 20 DBED CCO[C@@H](CC)C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1113976222 DDIAOATVWHWVDM-KZVDOYCCSA-N 308.382 -0.512 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)CC(=O)NCC3CC3)[C@H]2C1 1115093838 JGSQGJIJRDEYGX-HALDLXJZSA-N 319.405 -0.401 30 20 DBED CC(=O)NCC(=O)NCC(=O)NCC1(NCC#N)CCCCC1 1115598589 UKBFQYJNTFMPQC-UHFFFAOYSA-N 323.397 -0.829 30 20 DBED C#CCSCCNC(=O)C(=O)N1CCSC[C@H]1CCO 1117462342 WHZHOULXWYUPFC-LLVKDONJSA-N 316.448 -0.205 30 20 DBED CC1CCN(C[C@@H](C)NC(=O)C(=O)N2CCO[C@@H](C#N)C2)CC1 1118731482 DIZOWKDVTMWJTC-KGLIPLIRSA-N 322.409 -0.026 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)NCCNC2CC2)CCN1C1CC1 1119293998 JUZCUGMXLFMCSM-CYBMUJFWSA-N 305.382 -0.947 30 20 DBED C=C(C)COCCn1nnnc1N1CCN(C(=O)COC)CC1 1120102931 XCZZFMZFZJXGOD-UHFFFAOYSA-N 324.385 -0.439 30 20 DBED Cc1cc(C(=O)NC[C@H](CO)Nc2cnc(C#N)cn2)nn1C 1121150511 MNPAPARSAQKSHM-LLVKDONJSA-N 315.337 -0.407 30 20 DBED C=CCCO[C@H](C)C(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1 1121172873 VECHGKKSTHZWOZ-VXGBXAGGSA-N 319.365 -0.360 30 20 DBED N#Cc1nc(=N[C@@H](CO)CNC(=O)C[C@H]2CCOC2)cc[nH]1 1121399585 PODPIXURCNSDEE-GHMZBOCLSA-N 305.338 -0.914 30 20 DBED Cc1cc(N[C@H](CO)CNC(=O)C#CC(C)C)nc(CO)n1 1121520150 IRVROYKZUDOZTP-LBPRGKRZSA-N 306.366 -0.174 30 20 DBED Cc1nonc1C(=O)NC[C@@H](CO)Nc1ncc(C#N)cc1F 1121734460 NAWGMKSMUKRVPI-VIFPVBQESA-N 320.284 -0.013 30 20 DBED Cc1cc(C(=O)NC[C@H](CO)N=c2cc[nH]c(C#N)n2)ccn1 1121881183 BXTNIJAFLDJTEO-GFCCVEGCSA-N 312.333 -0.324 30 20 DBED N#Cc1nc(=N[C@H](CO)CNC(=O)CCOCC2CC2)cc[nH]1 1122113056 RLAQITPZSVNBIF-LBPRGKRZSA-N 319.365 -0.524 30 20 DBED Cc1cc(=N[C@H](CO)CNC(=O)c2csnn2)c(C#N)c[nH]1 1122366210 YNPKWHMOPJQGPP-JTQLQIEISA-N 318.362 -0.262 30 20 DBED C=C[C@@](C)(O)CC(=O)N(C)C[C@H](O)CNc1cnc(C#N)cn1 1124267723 XJUNPXCBORFYSO-IUODEOHRSA-N 319.365 -0.093 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)c1cc(C)n(C)n1 1124277503 ISIJGAOXQPEINX-UHFFFAOYSA-N 320.397 -0.190 30 20 DBED CN(C[C@@H](O)CN(C)c1ccc(C#N)cn1)C(=O)c1cnn[nH]1 1125374209 NRVFVIVITZWYBX-NSHDSACASA-N 315.337 -0.359 30 20 DBED C#CCO[C@@H](C)C(=O)NCCNCC(=O)N1CCC[C@H](C)C1 1127045998 KDYDIVLUXWGZQQ-KBPBESRZSA-N 309.410 -0.011 30 20 DBED C#CCO[C@H](C)C(=O)NCCN[C@@H](C)C(=O)NCCCOC 1127051323 FZOSAIUWXSNNQG-QWHCGFSZSA-N 313.398 -0.728 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@H](C)Cn1ccc(C)n1 1128194460 JSNTZFPEXQGANJ-OCCSQVGLSA-N 319.409 -0.329 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)c1cccc(C(N)=O)c1 1130367849 WBZFMXUQFGUSMO-LLVKDONJSA-N 318.377 -0.204 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H]2C[C@@H]3CN(C(C)=O)C[C@@]3(C1)O2 1131164374 JRAPXHINNUHDAM-ADSMDIBLSA-N 307.394 -0.001 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cccc2oc(O)nc12 1131405234 HRMXKLSFKSHFHI-UHFFFAOYSA-N 316.317 -0.398 30 20 DBED C#CCNC(=O)CN1C[C@H](NC(=O)c2cccnn2)CC[C@@H]1C 1132368132 JKNYOCOWUNDFFF-QWHCGFSZSA-N 315.377 -0.191 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)CCn1ccnc1)NCC(=O)NCC#N 1135132839 VDPJRLVBRONMOP-QWHCGFSZSA-N 320.397 -0.214 30 20 DBED C#CCCN[C@H](C)C[C@@H](C)NC(=O)c1cn(CC(N)=O)nn1 1146583295 JPUGMBFELPVPIZ-GHMZBOCLSA-N 306.370 -0.727 30 20 DBED C=CCOCC(=O)N1CC2(CCN(CC(=O)NC(=O)NC)C2)C1 1147261202 SRCLXHNNTMZLLG-UHFFFAOYSA-N 324.381 -0.821 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC2(CCN(Cc3nnnn3C)C2)C1 1147440712 PASJHIGCSTZNSX-AWEZNQCLSA-N 320.397 -0.429 30 20 DBED COCC#CCN1CCC2(C1)CN(C(=O)c1cnc(O)n1C)C2 1148024464 MIJCWEGVQKABCM-UHFFFAOYSA-N 318.377 -0.077 30 20 DBED CSCC(=O)NC[C@@H]1CN(CC(=O)NCC#N)CCCO1 1149106011 XGVZLPRPNOVIBV-LLVKDONJSA-N 314.411 -0.804 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)CCCN(C)C(C)=O 1149247677 KSMXOUBSMSLODW-GFCCVEGCSA-N 310.398 -0.911 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H]1CN(CC#CC)CCCO1 1149598545 BLIUNWKWNIRAOM-CQSZACIVSA-N 305.378 -0.644 30 20 DBED N#CCN1CCCO[C@H](CNC(=O)CCCn2ccnn2)C1 1149835693 NNVLCGMIQSWCFC-CYBMUJFWSA-N 306.370 -0.211 30 20 DBED C#CCNC(=O)CN1CCCO[C@H](CNC(=O)[C@@H]2CC23CC3)C1 1150362895 JJOGXRLHEDYLOE-KGLIPLIRSA-N 319.405 -0.257 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@@H](C1CC1)N1CCOCC1 1151814757 KWPKBUMKAPXLRW-OAHLLOKOSA-N 324.425 -0.895 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)[C@@H](C)OCCOCC 1152215952 QDEQYHAZZGSUEZ-QWHCGFSZSA-N 315.414 -0.176 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1cc2n(c1)CCCC2 1153924468 RCIBMUXYMGBEIJ-UHFFFAOYSA-N 303.366 -0.216 30 20 DBED COCC#CCN(C)C[C@H]1CCCCN1C(=O)CNC(N)=O 1157523074 YDDDVLPWOPESOI-CYBMUJFWSA-N 310.398 -0.383 30 20 DBED Cc1ccncc1CC(=O)NCCCNCC(=O)NCC#N 1160215593 CUNQQFZOYDSPRA-UHFFFAOYSA-N 303.366 -0.332 30 20 DBED COCCCC(=O)NCCC1(CNCC(=O)NCC#N)CC1 1163569176 QXQGWIBHONZFGQ-UHFFFAOYSA-N 310.398 -0.071 30 20 DBED COCC#CCNCCCNC(=O)c1ccc(N(C)C)nn1 1171430283 JDCXIMKRHMMXJT-UHFFFAOYSA-N 305.382 -0.098 30 20 DBED CC#CCNCCCC[C@@H](C)NC(=O)C[C@H](NC(C)=O)C(N)=O 1175581798 TVDKGIQRYPEJEU-OCCSQVGLSA-N 324.425 -0.346 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCC[C@H](C)NC(=O)c1nc[nH]n1 1175777107 OCJOWMUBJSDMMC-NWDGAFQWSA-N 320.397 -0.179 30 20 DBED C#CCN1CCC(C(=O)NCCCNCc2cn(C)nn2)CC1 1176926085 GELDIVJAAINACC-UHFFFAOYSA-N 318.425 -0.244 30 20 DBED Cc1ncncc1C(=O)N1CC[C@H](NCC(=O)NCC#N)[C@@H]1C 1178182155 HXLSJZRJZCTINY-AAEUAGOBSA-N 316.365 -0.383 30 20 DBED C#CCNC(=O)CC(=O)NCCCCCCN[C@H](C)C(=O)NC 1178263001 WPXKBLUUUJAFBR-CYBMUJFWSA-N 324.425 -0.473 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)Cc2cnoc2)[C@H]1C 1179391995 CGHXPGXTHMCBRM-OBJOEFQTSA-N 318.377 -0.066 30 20 DBED C[C@@H]1CN(C(=O)c2nnc(O)nc2O)C[C@@]1(C)CNCC#N 1182038537 RJDCXYZRULQOIY-AMIZOPFISA-N 306.326 -0.506 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC[C@H]2CN(Cc3nnn(C)n3)C[C@H]21 1187756194 XRYHVTBVGCCDLU-YWPYICTPSA-N 320.397 -0.430 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)[C@H]2COCCO2)C1 1188948782 NQJKVFJKAAHRHZ-CHWSQXEVSA-N 311.382 -0.763 30 20 DBED CN(CC(=O)NCC#N)[C@H]1CCN(C(=O)CCOCC2CC2)C1 1190146358 NXQQFZZFCPYIPW-AWEZNQCLSA-N 322.409 -0.024 30 20 DBED N#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C(F)=C2CCCC2)C1 1192178664 UCAKFGMONBNZGC-VXGBXAGGSA-N 324.356 -0.415 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)COCC(F)F)C1 1194951528 DOQIRAOCGCRSMW-GHMZBOCLSA-N 308.325 -0.368 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)c2cn(C)c(O)n2)C1 1195841729 DAENURNIKRQAPK-ZYHUDNBSSA-N 310.354 -0.897 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN(CC(=O)N(C)CC)C[C@H]2O)C1 1196028672 AQGNDGNTHDCLMZ-CHWSQXEVSA-N 309.410 -0.018 30 20 DBED C#CCNC(=O)[C@H](C)NC1CCN(C(=O)CNC(=O)OC)CC1 1199503502 FCCMBALIPPYXFP-NSHDSACASA-N 324.381 -0.939 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)C[C@H]2CCNC2=O)CC1 1201028088 FVCCOHWGXRDVMN-GFCCVEGCSA-N 322.409 -0.605 30 20 DBED N#CCNC[C@H]1CN(C(=O)c2c[nH]c(C(N)=O)c2)CCCO1 1202078386 FIYSBFGVHIQVQD-NSHDSACASA-N 305.338 -0.542 30 20 DBED N#CCNC(=O)CNCC1CCN(C(=O)C2=COCCO2)CC1 1204351229 UQHJBNKNUZJFRX-UHFFFAOYSA-N 322.365 -0.657 30 20 DBED C[C@H](OCC1CC1)C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1206472474 IKUVDMIBLLOTRH-MBNYWOFBSA-N 322.409 -0.122 30 20 DBED N#CCNCC1CCN(C(=O)CCC(=O)N2CCOCC2)CC1 1206913872 CUSVKJSYDJAYRJ-UHFFFAOYSA-N 322.409 -0.023 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCCN(C(=O)c2cnccn2)C1 1207108326 LHVMMMJZWQFLDT-OLZOCXBDSA-N 315.377 -0.191 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCCN(C(=O)c2cnccn2)C1 1207108327 LHVMMMJZWQFLDT-QWHCGFSZSA-N 315.377 -0.191 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)c2cc(OC)no2)C1 1207859762 CQCZFDCIYJTNFZ-LLVKDONJSA-N 320.349 -0.373 30 20 DBED COCC#CCN1C[C@@H](NC(=O)CCN2CCOCC2)[C@H](C)C1 1209507072 XMPFEEAHWWEFHI-HZPDHXFCSA-N 323.437 -0.205 30 20 DBED CN(C)S(=O)(=O)CCC(=O)N1CCC[C@@H](NCC#N)C1 1211219077 HJFQKARLMBXXLJ-LLVKDONJSA-N 302.400 -0.628 30 20 DBED C#CCN1C[C@@H](NC(=O)CCn2ccccc2=O)[C@H](OC)C1 1212367933 BADULUSOUISCFP-ZIAGYGMSSA-N 303.362 -0.313 30 20 DBED Cc1ccc(C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@@H]2O)s1 1219101818 NPGMFRZXJPEYJJ-MNOVXSKESA-N 322.390 -0.529 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@@H](C)NC(=O)C2CCCC2)C1 1219682756 NQXVPRZRPFXTSV-BNOWGMLFSA-N 307.394 -0.524 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)c2cc(C(N)=O)c[nH]2)C1 1220611921 HQZDSRBZYCIBRT-OLZOCXBDSA-N 322.365 -0.909 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)CCOC2CCOCC2)C1 1220730715 LFCILUJQOKVBNT-CABCVRRESA-N 310.394 -0.243 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@H](C)NC(=O)CC(C)(C)C)C1 1220735661 JPAXGYHSXHVJAJ-XQQFMLRXSA-N 309.410 -0.278 30 20 DBED CC(=O)N(CC(=O)N[C@@H]1CN(CC#N)C[C@@H]1O)c1ccccc1 1221030634 KHUILUOJWVQDSM-CABCVRRESA-N 316.361 -0.276 30 20 DBED C=CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)CN1CCCC1=O 1230752387 HDJHALHNYPBUJN-CYBMUJFWSA-N 322.409 -0.556 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@@H]1CN(C)C(=O)c1cnns1 1230860189 DMCSTNBJHSHSMO-WDEREUQCSA-N 321.406 -0.178 30 20 DBED N#CCNC(=O)CNC(=O)N1CCC(O[C@@H]2CCOC2)CC1 1261295523 BCYZFGZAJKUTCH-GFCCVEGCSA-N 310.354 -0.394 30 20 DBED Cn1ncc2c(=O)n(CC(=O)N[C@](C)(C#N)C3CC3)nnc21 1319030785 YNAGYXKGVNHVQN-CYBMUJFWSA-N 301.310 -0.667 30 20 DBED C=CC[C@H](NC(=O)Cn1[nH]cc2c(=O)ncnc1-2)C(=O)OCC 1321050023 ZSRNVELWUDKBRZ-JTQLQIEISA-N 319.321 -0.305 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N1CCCN(C(=O)C2CC2)CC1 1321847933 FXJAQOYDVBSFDR-ZDUSSCGKSA-N 323.393 -0.226 30 20 DBED COCC[C@](C)(C#N)NC(=O)CN1CCS(=O)(=O)CC1 1323759460 WHNMEZDEGUDEFT-GFCCVEGCSA-N 303.384 -0.848 30 20 DBED C=CCNC(=O)COC(=O)C1(S(C)(=O)=O)CCOCC1 1324158324 JGIKTKPLXPJQGF-UHFFFAOYSA-N 305.352 -0.574 30 20 DBED CC(C)C(=O)NCCCNC(=O)C(=O)N1CCO[C@@H](C#N)C1 1324370961 JICQRJYSPPJXBK-NSHDSACASA-N 310.354 -0.984 30 20 DBED CC#CCCNC(=O)C(=O)NC[C@H]1CC[C@@H](C(=O)N(C)C)O1 1324403518 LKAIQUJZNIOHIC-NEPJUHHUSA-N 309.366 -0.732 30 20 DBED CN1C(=O)CC[C@H](NC(=O)C(=O)N2CCC[C@](C)(C#N)C2)C1=O 1325953242 OBJWZXCGGYDDQE-ZUZCIYMTSA-N 320.349 -0.598 30 20 DBED CO[C@@]1(C)CCCN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)C1 1326228216 VMEQVFNSVZPGMJ-GJZGRUSLSA-N 309.366 -0.109 30 20 DBED C#C[C@@H](CC)NC(=O)C(=O)Nc1cc(C)n(CC(=O)NC)n1 1326304760 GSHIXJQBEBHZNK-JTQLQIEISA-N 305.338 -0.596 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)NCC1CC(C)C1 1328533425 VDZBVNPVSGPJNG-UHFFFAOYSA-N 302.396 -0.134 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)CC[C@H]2NC(=O)NC2=O)C1=O 1328619847 AIRKLXZGQRUJPV-NXEZZACHSA-N 308.338 -0.780 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N=c1ccnc2n(C)[nH]cc1-2 1329087462 WDANGMIHOGVCCT-VIFPVBQESA-N 303.322 -0.403 30 20 DBED C[C@H](NC(=O)C(=O)N1CC[C@](F)(C#N)C1)[C@H]1CN(C)CCO1 1329664677 IFRHDKPSFGBPKP-WDMOLILDSA-N 312.345 -0.714 30 20 DBED C[C@@H]1CC(=NC(=O)C(=O)c2cc(S(N)(=O)=O)cn2C)NO1 1331153330 JORFJHUEFAIISX-ZCFIWIBFSA-N 314.323 -0.906 30 20 DBED C#Cc1cccc(N(CC(=O)NC)C(=O)CCn2cnnn2)c1 1334715981 HNIHLBNOMLODIR-UHFFFAOYSA-N 312.333 -0.176 30 20 DBED C#CCOCCn1nnnc1N1CCC(S(C)(=O)=O)CC1 1334942766 HYXPFFTUBTXGNS-UHFFFAOYSA-N 313.383 -0.664 30 20 DBED C#CCNC(=O)C1CCN(c2nnnn2[C@@H]2COC[C@H]2C)CC1 1335864626 PHXYSFJRFJLFCE-DGCLKSJQSA-N 318.381 -0.154 30 20 DBED C=CCn1c(N2CCO[C@H](C(=O)OC)C2)nnc1C1(O)CC1 1339611590 QOSNXPAQRWSEKJ-JTQLQIEISA-N 308.338 -0.176 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N[C@H]2COc3ccccc3C2)CCO1 1345203081 GMMWTTBXBRTAOY-CHWSQXEVSA-N 315.329 -0.143 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N1CC[C@H]2NC(=O)CC[C@@H]2C1 1346966759 IXIGYRJPOXOHMH-CHWSQXEVSA-N 323.393 -0.226 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N1CC[C@H](N2CCOC2=O)C1 1350211813 FGDJEEZBPCRPIR-ZDUSSCGKSA-N 317.345 -0.475 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)Nc1ccc(=O)n(C)c1 1351604961 LEJBRIFFMHEBMR-NSHDSACASA-N 305.334 -0.132 30 20 DBED CN(CCCCCO)C(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1351907787 RGBNDUQCAAPUBZ-CQSZACIVSA-N 322.409 -0.194 30 20 DBED CC(C)(C)OC(=O)CNC(=O)Cn1cc(C#N)c(O)nc1=O 1361870986 POGKDRLTYYIELJ-UHFFFAOYSA-N 308.294 -0.722 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNCC(=O)N(C)Cc1ccco1 1367582393 OUHCPSAZOFXJOU-NWDGAFQWSA-N 322.365 -0.536 30 20 DBED C[C@H](CNC(=O)c1ccc2nnc(O)n2c1)NC(=O)[C@H](C)C#N 1377279788 WLADTVGCTJNYKD-RKDXNWHRSA-N 316.321 -0.171 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)CCn2cccn2)C1 1380117115 KVAGIDLTDICXAY-DOMZBBRYSA-N 319.365 -0.488 30 20 DBED CCN(CC)C(=O)[C@H](C)N1CC(O)(CNC(=O)[C@H](C)C#N)C1 1380580575 IOBCXCHVBHYYGQ-NEPJUHHUSA-N 310.398 -0.434 30 20 DBED CCC(=O)NCC(=O)NCC1(NC(=O)c2cc(C#N)c[nH]2)CC1 1393574125 MQJCQADWWTYXNR-UHFFFAOYSA-N 317.349 -0.209 30 20 DBED Cn1nnc(CN[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C2CC2)n1 1402279471 AUDGKXPURPWDGZ-LBPRGKRZSA-N 314.353 -0.292 30 20 DBED C[C@H](C#N)C(=O)N1CC(CNC(=O)Cn2ccccc2=O)C1 1409140299 RLZNIXUUSNFWTB-LLVKDONJSA-N 302.334 -0.417 30 20 DBED N#CCC1(CNC(=O)c2cn(C[C@H]3CNC(=O)O3)nn2)CC1 1411373389 NAJKCVIBQNQQKI-SECBINFHSA-N 304.310 -0.190 30 20 DBED C[C@H]1CN(C(=O)Cn2cc(C#N)c(O)nc2=O)C[C@@H](C)N1C 1413026321 HYWVRHJQNWPSFS-AOOOYVTPSA-N 305.338 -0.628 30 20 DBED COC1(CNC(=O)CCn2cc(C#N)c(O)nc2=O)CCC1 1413119845 YBZSCUMTDNGUBA-UHFFFAOYSA-N 306.322 -0.104 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCN(c2nc[nH]n2)CC1 1413432100 WGIMMLMSOIQNHA-JTQLQIEISA-N 313.387 -0.737 30 20 DBED CCNC(=O)NC(=O)CN(CCNC(=O)[C@H](C)C#N)C1CC1 1418755511 XLDGURQFKXLSCO-SNVBAGLBSA-N 309.370 -0.428 30 20 DBED C[C@H](C#N)C(=O)N(C)CCN1CCN(Cc2cnon2)CC1 1418911692 GVQKDYZVGCLHFX-GFCCVEGCSA-N 306.370 -0.195 30 20 DBED CN(C[C@@H](O)CNCc1nccn1C)C(=O)c1cc(C#N)c[nH]1 1423428241 BXJPYKJFEQACPU-LBPRGKRZSA-N 316.365 -0.157 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](C1CC1)N(C)C(=O)CCn1cnnn1 1424933659 BANHOSIVLWLAFF-CMPLNLGQSA-N 319.369 -0.424 30 20 DBED COc1ncc(NC(=O)NC[C@H](O)Cn2ccnn2)cc1C#N 1426284030 GYNCOTJQDVCSCT-NSHDSACASA-N 317.309 -0.264 30 20 DBED CC(C)c1nnnn1CC(=O)NC[C@H](C)N(C)C(=O)[C@@H](C)C#N 1426664648 LPJKZSOGVXTULD-QWRGUYRKSA-N 321.385 -0.081 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)CCCS(C)(=O)=O)CC1 1432297186 TTYKYTXWWDNPPH-JTQLQIEISA-N 315.395 -0.264 30 20 DBED N#Cc1cn(CCNC(=O)C23CCCN2CCC3)c(=O)nc1O 1434208448 SDWNEGZUVRUTQQ-UHFFFAOYSA-N 317.349 -0.435 30 20 DBED CC(=O)N[C@@H](C(=O)NCCn1cc(C#N)c(O)nc1=O)C(C)C 1434208479 SPHJGHGTDXCXGU-LLVKDONJSA-N 321.337 -0.903 30 20 DBED CC(=O)N(C)CC(=O)N(C)CCN(C)C(=O)c1ccc(C#N)[nH]1 1452076033 IZIROQNXOXFFIR-UHFFFAOYSA-N 319.365 -0.105 30 20 DBED CCC(=O)NCC(=O)NC[C@H](C)N(C)C(=O)c1c[nH]c(C#N)c1 1486826854 RUXZTAGWDZSBAO-JTQLQIEISA-N 319.365 -0.011 30 20 DBED C[C@H](C#N)C(=O)N(C)CCN[C@H]1CCN(c2cnn(C)c2)C1=O 1493500922 QQCKVHWPBGETPP-YPMHNXCESA-N 318.381 -0.267 30 20 DBED C[C@@H](C#N)C(=O)NC1CN(C(=O)[C@H](C)CN2CCOCC2)C1 1530618435 QONOOZWTQPGSRZ-NWDGAFQWSA-N 308.382 -0.559 30 20 DBED C=CCOCC(=O)NC[C@H]1[C@@H]2CN(C(=O)CNC(=O)O)C[C@H]12 1573368850 KLYFVEXQXJZEGN-RTCCRHLQSA-N 311.338 -0.723 30 20 DBED CC(C)N1CC[C@H](Nc2cnc(-c3nn[nH]n3)c(C#N)n2)C1=O 1574283319 GFLZLFGCNQMTEC-QMMMGPOBSA-N 313.325 -0.050 30 20 DBED C#CCCN1CCC(NC(=O)[C@@]2(COC)CNCCO2)CC1 1574583771 NGFNGWLYLIYNHT-INIZCTEOSA-N 309.410 -0.405 30 20 DBED C#CC[C@H](NS(=O)(=O)C[C@@]12CCCN(CC1)C2)C(=O)O 1588423445 HOJJCHLUMZLNDJ-AAEUAGOBSA-N 300.380 -0.132 30 20 DBED C=C(CO)C(=O)N1CCN(c2cc(-c3nn[nH]n3)ccn2)CC1 1588444229 RRDOKTDLFAKCCV-UHFFFAOYSA-N 315.337 -0.541 30 20 DBED C#Cc1ccc(NC(=O)C(=O)N2C[C@H](O)C[C@@H](C(=O)O)C2)cc1 1588516925 HWTGMDWXGHQBON-DGCLKSJQSA-N 316.313 -0.100 30 20 DBED C[C@@]1(C#N)CCN(C(=O)C(=O)N2CCO[C@H](CC(=O)O)C2)C1 1593742778 FBKYPSPZIDFRJZ-YGRLFVJLSA-N 309.322 -0.549 30 20 DBED COC(=O)[C@@H]1C[C@H](C(=O)O)CCN1C(=O)Cn1cnc(C#N)n1 1598747123 WGBXQWJKJJMGHL-BDAKNGLRSA-N 321.293 -0.985 30 20 DBED N#CCN(CCC(=O)O)C(=O)CS[C@H]1CCS(=O)(=O)C1 1601071186 VBTRRPOPBOKIAG-VIFPVBQESA-N 320.392 -0.266 30 20 DBED C[C@H](C#N)C(=O)NC[C@]1(O)CCN(c2ccnc(C(=O)O)n2)C1 1603130552 YFMYLOZPJKPTSC-YMTOWFKASA-N 319.321 -0.608 30 20 DBED Cc1onc(CC(=O)N2CC(O)(CC#N)C2)c1-c1nn[nH]n1 1609470598 CJPNIIXFEKTXGF-UHFFFAOYSA-N 303.282 -0.807 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)Cc2ccn(C)n2)C1 1690090800 XXFITBBIDGOKSI-ZDUSSCGKSA-N 305.382 -0.545 30 20 DBED COc1c(C(=O)NCCCN2CCN(CC#N)CC2)cnn1C 1752357002 JUPGVGBQOUQZGS-UHFFFAOYSA-N 320.397 -0.310 30 20 DBED C#CCNC(=O)[C@@H](C)N(CCNC(=O)C1=COCCO1)C1CC1 1753152074 WLNUFJJIYDGUJU-GFCCVEGCSA-N 321.377 -0.407 30 20 DBED C=CCNC(=O)[C@@H](C)NCCN(C)C(=O)[C@]1(C)CCC(=O)N1 1753228899 BCDMNYUWCXNFQG-ABAIWWIYSA-N 310.398 -0.606 30 20 DBED C=C1CC(C)(C(=O)N[C@H](C)CNCCN2C(=O)CNC2=O)C1 1754240839 JEQZPQWCWBLZTK-LLVKDONJSA-N 308.382 -0.011 30 20 DBED Cn1cncc1CCC(=O)NCC1(NCC(=O)NCC#N)CC1 1754533202 UURFQJGMFCECKI-UHFFFAOYSA-N 318.381 -0.769 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@]1(O)CCN(Cc2cnn(C)c2)C1 1754748746 MAIDMZIDIKSMNG-JKSUJKDBSA-N 322.409 -0.200 30 20 DBED C=C(Cl)CN1CCC[C@](CO)(NC(=O)[C@@H]2CCNC2=O)C1 1754857476 ISOCRNVJDMNFFW-RISCZKNCSA-N 315.801 -0.182 30 20 DBED C#CCNCCN(CCO)C(=O)c1cnn2cc(C)cnc12 1754893028 IEJZCLSSDZYEBK-UHFFFAOYSA-N 301.350 -0.305 30 20 DBED N#CCNC(=O)CNC[C@@H]1CN(C(=O)C2=COCCC2)CCO1 1754995007 FHTMYQWUQVILNI-CYBMUJFWSA-N 322.365 -0.863 30 20 DBED CCC1(NCC#N)CCN(C(=O)CC[C@@H]2NC(=O)NC2=O)CC1 1755073318 PBOXYHOBKUTGDQ-NSHDSACASA-N 321.381 -0.141 30 20 DBED C#CCCN1C[C@@H](NC(=O)CNS(=O)(=O)CC)C(C)(C)C1 1755411642 FNHLTZQGKUNDEA-GFCCVEGCSA-N 315.439 -0.224 30 20 DBED COCC#CCN1C[C@H]2[C@H](CNC(=O)[C@@H](COC)OC)[C@H]2C1 1755431785 MUVYUXVKGSXGNC-APIJFGDWSA-N 310.394 -0.408 30 20 DBED CCC1(C(=O)NC[C@@H](CO)NCC(=O)NCC#N)CCCC1 1755643668 QLVUZTFGHCMBDH-LBPRGKRZSA-N 310.398 -0.337 30 20 DBED C#CCCN[C@@H]1CCN(C(=O)CN2CCN(C)C(=O)C2)[C@@H]1C 1755655860 DCLKXBIJGBDLBN-ZIAGYGMSSA-N 306.410 -0.637 30 20 DBED C#CCCN1CCC[C@H](NC(=O)CNS(=O)(=O)NC)[C@H]1C 1755716095 JIFWDXBAKYOOLK-NEPJUHHUSA-N 316.427 -0.967 30 20 DBED C=C1CC(C)(C(=O)N(C)C[C@@H](O)CNCc2nnnn2C)C1 1755788050 KIIYVKLVPVBMOK-NSHDSACASA-N 308.386 -0.525 30 20 DBED CN(CC#N)C[C@@H](O)CN(C)C(=O)c1cnn2ncccc12 1755801709 HQSLAKYAGMCBOI-LLVKDONJSA-N 302.338 -0.382 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)[C@@H](C)CNC(=O)CC(=O)NCC 1756019754 DKIMFNZOWDVDBJ-RYUDHWBXSA-N 311.382 -0.486 30 20 DBED C[C@@H](CN(C)C(=O)[C@H]1CCNC1=O)NC(=O)CSCC#N 1756480427 CWIXQBDRACVFIW-UWVGGRQHSA-N 312.395 -0.658 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(C(=O)c2cc[nH]c2C)C[C@@H]1O 1757173657 FGPYCPBJVFSIDQ-KGLIPLIRSA-N 319.361 -0.335 30 20 DBED CN1CCN(CCCS(=O)(=O)N2CCO[C@H](C#N)C2)CC1 1771832893 SPPQRFSOJRWDNV-CYBMUJFWSA-N 316.427 -0.822 30 20 DBED C[C@@](O)(CNS(=O)(=O)c1ccc(C#N)c(F)c1)C(=O)O 1776462140 IOMCKLRPCGXJHK-LLVKDONJSA-N 302.283 -0.189 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccnc(C)n1)CCO2 1783050504 VYQCTLRPTWNYCV-INIZCTEOSA-N 314.345 -0.138 30 20 DBED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nccn3C)[C@H]2C1 1786166702 YSMMIGQBRCKIOK-AVGNSLFASA-N 316.361 -0.353 30 20 DBED N#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc[nH]n1 1796027943 HYGKYNFSTHTWRI-PEGIJTEDSA-N 318.337 -0.688 30 20 DBED CO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)S 1800988987 DNFCCWHZBUEEIS-NGDQXYMTSA-N 316.423 -0.071 30 20 DBED C#CC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](N)CN)[nH]n1 1821876287 MKCILFXONQOLQM-GXSJLCMTSA-N 304.354 -0.679 30 20 DBED CN(C)C(=O)C(=O)N1CCCC12CN(C(=O)C#CC1CC1)C2 1842835684 ZQQKNZFFCJFMPM-UHFFFAOYSA-N 303.362 -0.309 30 20 DBED Cn1c(=O)c2c(ncn2CC(=O)O[C@H](C#N)C2CC2)n(C)c1=O 80414850 BGNRGOBBSMWAIJ-SECBINFHSA-N 317.305 -0.721 30 20 DBED N#Cc1ccc(C(=O)N2CCN(CC(=O)NC3CC3)CC2)nc1 107539017 BUCWVEDKJOTXFF-UHFFFAOYSA-N 313.361 -0.010 30 20 DBED CC(=O)NC1CCC(Nc2c(C#N)c(=O)n(C)c(=O)n2C)CC1 263778509 YDUGEVYIHVXFFM-UHFFFAOYSA-N 319.365 -0.185 30 20 DBED COCCN/C(N)=N/CCN(C)S(=O)(=O)c1cccs1 269352022 GEJYVYHAJJAWFD-UHFFFAOYSA-N 320.440 -0.081 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCSC2=O)C1=O 270515601 YKGHWZRMTOKOPS-ZETCQYMHSA-N 311.319 -0.889 30 20 DBED C#CCOc1ccccc1NC(=O)C(=O)NCC(=O)N(C)C 274706757 RXRCWCSSHDOFNG-UHFFFAOYSA-N 303.318 -0.159 30 20 DBED C=C(C)[C@H]1OCC[C@H]1CNC(=O)Cn1ccc(=O)n(C)c1=O 281610538 WLFZBGDUJQROOG-SMDDNHRTSA-N 307.350 -0.356 30 20 DBED CN1CCN(/C(O)=N/[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 328845617 XIFQYUXCSYZTTE-LLVKDONJSA-N 304.416 -0.428 30 20 DBED CN1CCO[C@H](CN/C(O)=N/CCC(=O)N2CCOCC2)C1 329088321 HVBYXBMUUPQDAU-GFCCVEGCSA-N 314.386 -0.931 30 20 DBED CCN(/C(O)=N/[C@@H]1CC(=O)N(C)C1)[C@H]1CCS(=O)(=O)C1 329204467 YWKVSNSRVCEVCM-ZJUUUORDSA-N 303.384 -0.360 30 20 DBED C[C@@]1(C/N=C(/O)CN2CCN(S(C)(=O)=O)CC2)CCOC1 329891148 HKKBUWJQMBCPOB-ZDUSSCGKSA-N 319.427 -0.053 30 20 DBED CCN(C[C@H](C)C#N)C(=O)CN1CCC(S(N)(=O)=O)CC1 330501684 ATJHKMZCGFODHH-LLVKDONJSA-N 316.427 -0.253 30 20 DBED CC[C@@](C)(O)CN/C(O)=N/CCC(=O)N1CCN(C)CC1 330638303 OKSOEWPESGZUMJ-CQSZACIVSA-N 300.403 -0.185 30 20 DBED CC(=O)N[C@H]1CCCN(C(=O)Cn2cccc(C#N)c2=O)C1 330951716 PZGBUNYIEMNESX-ZDUSSCGKSA-N 302.334 -0.153 30 20 DBED CCN(CCC#N)S(=O)(=O)N[C@@H](C)CN1CCOCC1 336921726 QZIMFMOUMLCHCI-LBPRGKRZSA-N 304.416 -0.223 30 20 DBED COC[C@H](NS(=O)(=O)N1CCO[C@@H](C#N)C1)[C@H]1CCCO1 337160088 SLQNVNGHCORSDG-SDDRHHMPSA-N 319.383 -0.761 30 20 DBED CN(CC#N)C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 343284352 RTLZKGQSARRKET-UHFFFAOYSA-N 312.307 -0.145 30 20 DBED N#CCNC(=O)CNC(=O)C(=O)NCCCc1ccccc1 344171018 HZFOSNRZOFPPRM-UHFFFAOYSA-N 302.334 -0.509 30 20 DBED N#CCNC(=O)CNC(=O)N[C@H]1CC[C@H](C(=O)N2CCCC2)C1 346280390 VVZQEMFECYMGCI-RYUDHWBXSA-N 321.381 -0.284 30 20 DBED C=C[C@@H](CO)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N 354560681 DZZYWBADOPXZOU-JTQLQIEISA-N 305.338 0.111 30 20 DBED COCCN(C(=O)CN(C)CC#N)[C@@H]1CCS(=O)(=O)C1 355935569 GEVRFUMEFQQBIB-LLVKDONJSA-N 303.384 -0.896 30 20 DBED C=C[C@H](CO)NC(=O)N[C@H]1CC(=O)N(C)[C@H]1c1ccnn1C 359470568 JVDTVUQRWYVHAJ-GBIKHYSHSA-N 307.354 -0.462 30 20 DBED C=CCCn1cc(C(=O)N(C)C[C@@H](O)CN2CCOCC2)nn1 424710619 PGSFYXDCOXJHSE-CYBMUJFWSA-N 323.397 -0.381 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)C(F)(F)C(F)F)CC1 491665302 UMFSIOIVOHYJIQ-UHFFFAOYSA-N 309.263 -0.220 30 20 DBED COCCN(CCC#N)S(=O)(=O)NC[C@@](C)(O)COC 548832518 QDABUPUBACHMJY-LLVKDONJSA-N 309.388 -0.920 30 20 DBED COCCN(C)C[C@@H](O)Cn1cc(C(=O)OC)cc(C#N)c1=O 573338291 JGSCQYQOSSPKQL-CYBMUJFWSA-N 323.349 -0.554 30 20 DBED C=CCc1ccccc1OC[C@@H](O)CN[C@@H](CO)C(=O)NC 578749199 VSCMWLJDXRKNTJ-KBPBESRZSA-N 308.378 -0.149 30 20 DBED C=CCSCCNC(=O)C(=O)N1CCO[C@H]([C@H](C)N)C1 591372987 HPHWKATYFOTWJM-QWRGUYRKSA-N 301.412 -0.404 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N(C)[C@@]1(CO)CCOC1 601427131 VUNOXFQIXDIITJ-NWDGAFQWSA-N 305.400 -0.204 30 20 DBED Cn1ccc(CNC(=O)C(=O)N2CCN(CCC#N)CC2)c1 602250183 YCINWVFUVUQKEN-UHFFFAOYSA-N 303.366 -0.301 30 20 DBED CS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCN(CC#N)CC1 610397147 LYRXIYCBBNWTPV-LLVKDONJSA-N 300.384 -0.922 30 20 DBED CC#CC[C@@H](CO)NC(=O)NCCS(=O)(=O)NC(C)(C)C 645181107 QWANCGXHGCWETC-NSHDSACASA-N 319.427 -0.222 30 20 DBED CC#CC[C@@H](CO)NC(=O)NC1CCC2(CC1)NC(=O)NC2=O 645501913 GRSIHHGEVDGXMB-VTWZXRTESA-N 322.365 -0.419 30 20 DBED C#CCOc1cccc(NC(=O)C(=O)N[C@H](C)C(=O)NC)c1 752139308 WGZQJXUUSMQYIS-SNVBAGLBSA-N 303.318 -0.112 30 20 DBED C#C[C@H](NC(=O)c1ccnc2c(C(N)=O)cnn12)[C@@H]1CCCO1 775346493 BYVFSJSOCGXOOR-JQWIXIFHSA-N 313.317 -0.261 30 20 DBED CNC(=O)NCCC(=O)OCC(=O)N(CCC#N)CCC#N 795617840 FUGGZRMIFWKOAQ-UHFFFAOYSA-N 309.326 -0.495 30 20 DBED C#C[C@H](NC(=O)C(=O)NC1COC(C)(C)OC1)[C@H]1CCCO1 806655015 DGLZFZDMWXLZJB-NWDGAFQWSA-N 310.350 -0.449 30 20 DBED CC(C)(C)C(=O)NCC(=O)NS(=O)(=O)c1cncc(C#N)c1 813982100 CMRFIQGBZZJATJ-UHFFFAOYSA-N 324.362 -0.080 30 20 DBED CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1CNC[C@@H]1C#N 834480972 YOWNKIQHHLDHPZ-IVZWLZJFSA-N 302.400 -0.822 30 20 DBED N#C[C@@H]1CNC[C@@H]1NC(=O)C(=O)NCCCc1ccccc1 843463026 UIJXETPBLAINCF-KGLIPLIRSA-N 300.362 -0.037 30 20 DBED C/N=C(/NCCCN1CCOCC1)NCCN1CCOCC1 848980454 NYYYDNGUGHTDDH-UHFFFAOYSA-N 313.446 -0.794 30 20 DBED C#CC[C@H](CCOC)NC(=O)N[C@H]1CCN(S(C)(=O)=O)C1 858585627 LJKHOPIARKMEDT-NEPJUHHUSA-N 317.411 -0.252 30 20 DBED C#CC1(O)CN(C(=O)Cc2c(C)[nH]c(-c3ccncc3)nc2=O)C1 890519888 BHJDWUJVCHUSSD-UHFFFAOYSA-N 324.340 -0.111 30 20 DBED C#CCSCC(=O)N[C@H]1CCN(CCN2CCOCC2)C1 896400958 QMDGRVSZSQOKKV-AWEZNQCLSA-N 311.451 -0.125 30 20 DBED CN(C(=O)[C@@H]1CCNC(=O)C1)[C@H]1CCN(C(=O)C#CC2CC2)C1 937346928 FKQYUQKVHVWXDK-KGLIPLIRSA-N 317.389 -0.015 30 20 DBED CO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)c1nonc1C 942554828 YOVMHFSWWBWEHG-VXGBXAGGSA-N 318.333 -0.253 30 20 DBED C=CC(C)(C)C(=O)N1CCO[C@@H](CNC(=O)c2nnn(C)n2)C1 944729340 ZVZVIZPUVYILMV-JTQLQIEISA-N 322.369 -0.621 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@H](CNC(=O)c2cccnn2)C1 944744623 VWSXQPZWDOZOHK-GHMZBOCLSA-N 303.322 -0.407 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCN(Cc2cnn(C)n2)CC1 948825899 WZMBGKFZYAWDKV-HNNXBMFYSA-N 316.409 -0.443 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(Cc2nc(=O)n(C)[nH]2)CC1 950590226 GDZQLLMZAMTTNW-NEPJUHHUSA-N 321.381 -0.656 30 20 DBED CC#CCN1C[C@H](CNC(=O)c2cccn(C)c2=O)[C@@H](O)C1 958595005 OADUJKKWFQCBPV-JSGCOSHPSA-N 303.362 -0.569 30 20 DBED N#CCN1C[C@@H](O)[C@@H](CNC(=O)c2ncc3n2CCCC3)C1 958712900 CILZFPMQNVZAMI-WCQYABFASA-N 303.366 -0.235 30 20 DBED CC#CCN1C[C@H]2[C@H](NC(=O)Cc3ccc(C(N)=O)nc3)[C@H]2C1 960562063 WSHLQCIEPLUAJW-VIKVFOODSA-N 312.373 -0.207 30 20 DBED Cc1nn[nH]c1C(=O)N1CCO[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]21 960725594 PUELDTQBUQUDQM-INTQDDNPSA-N 318.337 -0.675 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H]2CN(C(=O)Cc3nc[nH]n3)C[C@H]21 963828931 SKKYDLOUKOJHGW-GRYCIOLGSA-N 316.365 -0.044 30 20 DBED CO[C@@H](C)C(=O)N1CCOC[C@@H]1CNC(=O)c1cc(C#N)c[nH]1 964147734 XVMMHBLKHNDYPT-JQWIXIFHSA-N 320.349 -0.122 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(C[C@H](NC(=O)c3cncnc3)CO2)C1 965672491 BNXRPAXKIHUTOW-JQWIXIFHSA-N 315.333 -0.264 30 20 DBED C=CCN1CC[C@H](C)[C@@H](NC(=O)CN2CCN(C)C(=O)C2)C1 967031048 KHSDZXRYVRUQET-KBPBESRZSA-N 308.426 -0.227 30 20 DBED C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)CN2CCNC(=O)C2)C1 967724243 PNUITYXNXBHDRD-ZIAGYGMSSA-N 308.426 -0.179 30 20 DBED C=CCN1CC[C@@H](N[C@@H]2CCN(C(=O)C3(C(N)=O)CC3)C2)C1=O 969792325 OAOSWRNUFHWAMB-VXGBXAGGSA-N 320.393 -0.771 30 20 DBED C=CCn1cc(C(=O)N[C@@H](C)C2CN([C@@H]3CCNC3=O)C2)nn1 970544624 PQASEVGEDGOOTF-GXFFZTMASA-N 318.381 -0.597 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@]2(CN(Cc3nnn(C)n3)CCO2)C1 972298112 QHCZCCOAKJKSPI-SMDDNHRTSA-N 319.369 -0.827 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)c3coc(C(N)=O)c3)C2)C1 972480541 OHBXQTGECBTJQE-MRXNPFEDSA-N 317.345 -0.071 30 20 DBED C=CCCn1cc(C(=O)N2CC[C@@H](N(C)CC(N)=O)C2)nn1 972516287 KXTCUBXAWFXWDD-LLVKDONJSA-N 306.370 -0.514 30 20 DBED C=C(C)CN1CCO[C@@]2(CCN(C(=O)CCn3cnnn3)C2)C1 972612980 ZGUXKEQMCXYARC-HNNXBMFYSA-N 320.397 -0.057 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3COC(=O)N3)C2)c1 973995076 OGTOPHXTSKSFAS-NGZCFLSTSA-N 317.305 -0.628 30 20 DBED C=CCN1C[C@@H](NC(=O)Cn2ccc(O)nc2=O)C(C)(C)C1 974782467 KRDBJRDXGIOZCA-LLVKDONJSA-N 306.366 -0.039 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)c3ccc(O)nn3)[C@H]2C1 976126228 XYSLUAOPCQZERV-XBWDGYHZSA-N 301.306 -0.472 30 20 DBED C#CCN1C[C@H]2C(CNC(=O)C3CC4(C3)CS(=O)(=O)C4)[C@@H]2C1 978349040 FCDNLJJFFSJQNQ-KBPBESRZSA-N 322.430 -0.262 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]1CN(C)C(=O)c1ccc(=O)n(C)n1 978425512 BXQJSWJIASYRQL-QWRGUYRKSA-N 317.349 -0.387 30 20 DBED C#CCN1C[C@H]2C(CNC(=O)c3ccc4nnc(O)n4c3)[C@@H]2C1 978857055 PNGMZARTLBONJC-STQMWFEESA-N 311.345 -0.024 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)COC)C1 982351677 GLPUDTNMGCSDMN-KBPBESRZSA-N 307.394 -0.305 30 20 DBED C[C@H]1C[C@@H](NCc2nnnn2C)CN1C(=O)c1c[nH]c(C#N)c1 988609973 FDOPGRAQVKLLPI-JOYOIKCWSA-N 314.353 -0.197 30 20 DBED N#CCNC1CCN(C(=O)c2ccc(-n3cnnn3)cn2)CC1 996858467 PSBLSWILCKUPMJ-UHFFFAOYSA-N 312.337 -0.225 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CC(N)=O 1000551684 NLUDISVNWZFQEC-BNDIWNMDSA-N 321.377 -0.299 30 20 DBED NC(=O)[C@H]1CC[C@H]1C(=O)NCC1CN(C(=O)C#CC2CC2)C1 1003547110 DWDANDHEOFWAKD-QWHCGFSZSA-N 303.362 -0.514 30 20 DBED CC(=O)N1CC(C(=O)NCC2[C@@H]3CN(C(=O)[C@@H](C)C#N)C[C@@H]23)C1 1008993332 PYNLVQDHMXSUMW-HERUPUMHSA-N 318.377 -0.555 30 20 DBED Cn1ncc(C(=O)N2CCN(C(=O)c3c[nH]c(C#N)c3)CC2)n1 1011025850 GHPLAGMYKYHDKJ-UHFFFAOYSA-N 313.321 -0.387 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C(=O)c2c[nH]c(C(N)=O)c2)CC1 1011165123 ULOPEWYINRCUTL-VIFPVBQESA-N 303.322 -0.442 30 20 DBED C#Cc1cncc(C(=O)N2C[C@@H]3C(NC(=O)c4cnn[nH]4)[C@H]3C2)c1 1013383059 MMRSTUJHOHDKAK-RYUDHWBXSA-N 322.328 -0.319 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(C1)CN(C(=O)[C@]1(C)CCNC1=O)C2 1019438055 FTCRTKUFHAWUEE-XHDPSFHLSA-N 318.377 -0.267 30 20 DBED COc1ncccc1C(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1O 1025464097 QQOSAQWHIJYGTQ-MVWJERBFSA-N 318.333 -0.449 30 20 DBED C#CCCN1CC[C@H](CNC(=O)[C@@H]2CN(C(C)=O)CCO2)C1 1028963370 MVCBAGINZNHNPV-CABCVRRESA-N 307.394 -0.305 30 20 DBED CCN(C(=O)[C@H]1CCc2nnc(O)n2C1)[C@@H]1CCN(CC#N)C1 1033878930 VUPKYWVFFGIKLM-NWDGAFQWSA-N 318.381 -0.008 30 20 DBED C#CCN1CCO[C@H](CNC(=O)[C@@H]2CCCS2(=O)=O)C1 1035611288 ROWAXXHZLCPITG-NEPJUHHUSA-N 300.380 -0.986 30 20 DBED C=CCN1CC2(CCN(C(=O)CN3CC(=O)N(C)C3=O)CC2)C1 1035835547 YMDLCRXKGNSLCY-UHFFFAOYSA-N 320.393 -0.009 30 20 DBED COCCn1nc(C(=O)N[C@H]2[C@H]3C[C@H]2N(CC#N)C3)ccc1=O 1037504320 XVVKHERZWCMBRL-SUHUHFCYSA-N 317.349 -0.784 30 20 DBED C=C(C)CN1C[C@H]2C[C@H]1[C@H]2NC(=O)CN1C(=O)C(=O)N(C)C1=O 1037598669 DOLRIVINVLCKCV-SCVCMEIPSA-N 320.349 -0.828 30 20 DBED N#CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)c1ccc(-n2cnnn2)cc1 1037705143 RGRLZQUYICHDOA-XBFCOCLRSA-N 309.333 -0.012 30 20 DBED C=CCCOCC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H](C)C#N)C1 1040161978 RQVXGELNSMUVFB-WFASDCNBSA-N 309.366 -0.182 30 20 DBED N#Cc1cnc(N2C[C@@H]3CCN(C(=O)c4nc[nH]n4)[C@@H]3C2)cn1 1040685118 HDSXUSXXPFKALP-GXSJLCMTSA-N 310.321 -0.183 30 20 DBED Cc1nc[nH]c1C(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1O 1041087077 IHBGHTHHWRBORV-GHMZBOCLSA-N 313.321 -0.641 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CC(=O)N[C@H](C)C2)C1 1041963017 FAYNHZOIZLQYQH-NEPJUHHUSA-N 323.393 -0.443 30 20 DBED C=CCN1CC[C@@H]2CCN(C(=O)Cn3ncn(C)c3=O)C[C@@H]21 1042120814 BAVPWSKMEDBZAF-OLZOCXBDSA-N 305.382 -0.309 30 20 DBED C[C@H]1C[C@@H]1C(=O)N1CC(O)(CNC(=O)c2ccc(C#N)[nH]2)C1 1042605742 OYWIYBVYCIZALZ-ONGXEEELSA-N 302.334 -0.155 30 20 DBED CCN(CC)CC(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042961377 WFRMLFPEBVZIIK-UHFFFAOYSA-N 307.394 -0.569 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)c2ncoc2C)C1 1043032437 AYYUVDZQWRQPRU-UHFFFAOYSA-N 321.333 -0.674 30 20 DBED CCO[C@@H](C(=O)NCC1(O)CN(C(=O)[C@@H](C)C#N)C1)C1CC1 1043172798 OUHZZKDDGLJOGX-CMPLNLGQSA-N 309.366 -0.349 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)[C@@H]2CC(=O)N(C)C2)C1 1043403830 CZUQMRIFLUOTFM-LLVKDONJSA-N 323.393 -0.634 30 20 DBED C=C(C)CCC(=O)N1CC(O)(CNC(=O)C[C@@H]2CCC(=O)N2)C1 1043842539 SGPBYHDSAPXEGC-LBPRGKRZSA-N 323.393 -0.299 30 20 DBED Cn1cnc(C(=O)N[C@@H]2CN(c3ccc(C#N)nn3)C[C@@H]2O)c1 1043907029 ADRCRDKIDVJNNS-PWSUYJOCSA-N 313.321 -0.939 30 20 DBED C=C(C)C(C)(C)C(=O)N1CC(O)(CNC(=O)c2nc[nH]n2)C1 1044788509 BPMREBMPEHSNPC-UHFFFAOYSA-N 307.354 -0.290 30 20 DBED COc1ncccc1C(=O)N1CC(O)(CNC(=O)[C@H](C)C#N)C1 1045551013 DAIJWSCISKMJPN-SNVBAGLBSA-N 318.333 -0.447 30 20 DBED Cn1nnc(CN2CC[C@](C)(NC(=O)c3c[nH]c(C#N)c3)C2)n1 1046252638 FQXIZLQSSUNKPS-AWEZNQCLSA-N 314.353 -0.196 30 20 DBED CC(C)CN1CC[C@H](C(=O)N(C)[C@H]2CN(CC#N)C[C@@H]2O)C1 1047407443 HKOQNWVTDYVFLF-KKUMJFAQSA-N 308.426 -0.009 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)C(C)(C)N2CCOCC2)C1 1047565303 IZMYDIMJLGJBDT-KBPBESRZSA-N 309.410 -0.766 30 20 DBED C#CCOCCC(=O)N(C)[C@H]1CN(C(=O)c2cc[nH]n2)C[C@@H]1O 1048843897 AAEMDHLJAKJTJK-STQMWFEESA-N 320.349 -0.907 30 20 DBED CCCN(C)CC(=O)N(C)[C@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1O 1049150315 UGRZRLPHNZARJO-AVGNSLFASA-N 310.398 -0.482 30 20 DBED CCN(C)C(C)(C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)C#N)C1 1049401333 DUXXLABZBCVDSX-AGIUHOORSA-N 324.425 -0.094 30 20 DBED N#CCN1CCOC[C@@H]1CNC(=O)c1cccc2nn[nH]c12 1050934267 MUCYLEIRZVOVKY-JTQLQIEISA-N 300.322 -0.088 30 20 DBED CC#CCN1CCOC[C@@H]1CNC(=O)c1c(C)ncnc1O 1051080272 XYETYESCFSIKME-LBPRGKRZSA-N 304.350 -0.055 30 20 DBED N#Cc1nccc(N2CC[C@H](NC(=O)c3cocn3)[C@H](O)C2)n1 1051637901 JOGNOTCWFFMDSE-GXSJLCMTSA-N 314.305 -0.294 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)c3nn(CC)nc3C)CO2)C1 1054025289 VHHOOJKTPABPJD-GFCCVEGCSA-N 303.366 -0.187 30 20 DBED N#CCSCC(=O)N[C@@]1(CO)CCCN(C(=O)C(F)F)C1 1055784783 ZWTBTZZUFNNTEF-LBPRGKRZSA-N 321.349 -0.022 30 20 DBED CC(=O)N[C@@H](C)C(=O)N(CCO)CCNC(=O)C#CC(C)C 1056884810 AIHAQDLRHBPHKR-LBPRGKRZSA-N 311.382 -0.893 30 20 DBED N#Cc1cnc(N2CCCN(C(=O)[C@@H]3CCC(=O)N3)CC2)cn1 1057161775 JVYYAWFLUAIMGZ-LBPRGKRZSA-N 314.349 -0.334 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)CC1(O)CCC1 1057193848 QQJJAUJWGAVAJE-UHFFFAOYSA-N 314.382 -0.569 30 20 DBED Cc1cc(C#N)nc(N2CC[C@H](NC(=O)Cn3nccn3)C2)n1 1058461575 SJYIAWXMVAMBAU-NSHDSACASA-N 312.337 -0.357 30 20 DBED Cc1cnn(CCC(=O)NCCN(CCO)C(=O)[C@H](C)C#N)c1 1058660776 IIIXHWYBNWBTTE-CYBMUJFWSA-N 321.381 -0.322 30 20 DBED N#Cc1nc(=N[C@H]2CCN(C(=O)C3=COCCO3)C2)cc[nH]1 1058820851 RNFXMGHBYQYMCZ-JTQLQIEISA-N 301.306 -0.329 30 20 DBED C=CCCOCC(=O)N1CCOC[C@H]1CNC(=O)CCOC 1061168532 JPGQTRJJSXTBHS-CYBMUJFWSA-N 314.382 -0.041 30 20 DBED C#CCCCC(=O)N1CCOC[C@H]1CNC(=O)CN(C)C(C)=O 1061323361 OVQXWDQHMSEAFB-CQSZACIVSA-N 323.393 -0.388 30 20 DBED C=CCCC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1CCCNC1=O 1061409978 IAHIKNQGWGVSCD-CHWSQXEVSA-N 323.393 -0.178 30 20 DBED C=CCCC(=O)N1CCOC[C@@H]1CNC(=O)[C@H]1COC(=O)N1 1061545981 IXVCHELIJYAPIG-WDEREUQCSA-N 311.338 -0.595 30 20 DBED CC(C)C#CC(=O)N1CCOC[C@H]1CNC(=O)CC(=O)N(C)C 1061596898 KENGSCNXKSAZOW-CYBMUJFWSA-N 323.393 -0.532 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)Cc1ncc[nH]1 1061846055 BFFDMLMVUTYYTA-GHMZBOCLSA-N 305.338 -0.545 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)Cc1ncc[nH]1 1061846057 BFFDMLMVUTYYTA-QWRGUYRKSA-N 305.338 -0.545 30 20 DBED CC(C)(C)C#CC(=O)NCC1(NC(=O)[C@H]2CNC(=O)N2)CCC1 1062985176 LPKOKNZMLMWBDB-LLVKDONJSA-N 320.393 -0.128 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)CN2CCOCC2=O)CCC1 1063403428 KJBHRRRRKSRTME-LLVKDONJSA-N 322.365 -0.840 30 20 DBED N#Cc1nccnc1N1C[C@H]2C[C@H]1[C@H]2NC(=O)Cn1ccnc1 1064270398 LQCYZVXWIJPFBK-OSMZGAPFSA-N 309.333 -0.062 30 20 DBED C=CCCC(=O)N1CCO[C@@H](CNC(=O)[C@H]2COCCO2)C1 1064955338 FRGUGUGGMYTSAF-QWHCGFSZSA-N 312.366 -0.288 30 20 DBED C#CCNC(=O)CC(=O)N1CCO[C@H](CNC(=O)/C(C)=C\C)C1 1065065627 SVQADICGSGDLNC-QWGHSUKYSA-N 321.377 -0.564 30 20 DBED CC(C)C#CC(=O)N1CCO[C@@H](CNC(=O)CCCC(N)=O)C1 1065126544 RBGXQSGRDBZQGP-ZDUSSCGKSA-N 323.393 -0.355 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCO[C@@H](CNC(=O)c2cn[nH]c2)C1 1065277674 AOSMEBIWTUNNSE-AAEUAGOBSA-N 322.365 -0.042 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(C(=O)c2cnn[nH]2)CCO1 1065326612 PUQWRGMUBKRZLC-NSHDSACASA-N 303.322 -0.825 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCCN(C(=O)[C@@H](C)C#N)CC1 1066068345 HMWOYYFDFOODLC-QWHCGFSZSA-N 318.377 -0.217 30 20 DBED C=CCCC(=O)N1CC2(C[C@@H](NC(=O)Cn3ncnn3)CO2)C1 1068879426 ZKWJUKXGXDHMKO-LLVKDONJSA-N 320.353 -0.875 30 20 DBED CC#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2ncn(C)n2)C1 1069921330 ATFGHDMWOFIKGK-NEPJUHHUSA-N 314.353 -0.915 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)Cc2cscn2)C1 1070046544 CCAUHZDZXOPIKE-OLZOCXBDSA-N 316.390 -0.048 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)[C@@H]4CC(=O)N(C)C4)C[C@@]3(C1)O2 1070806133 DHNLPZFOZMCHHH-UMPJEAMMSA-N 317.389 -0.600 30 20 DBED C[C@@H]1CN(C(=O)CNC(N)=O)C[C@@H]1NC(=O)c1c[nH]c(C#N)c1 1071574393 LUUVLPCWJUJZRE-KCJUWKMLSA-N 318.337 -0.869 30 20 DBED C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1NC(=O)c1ncn(C)n1 1071661559 LXANOZAGVMBPJP-NXEZZACHSA-N 322.394 -0.351 30 20 DBED C[C@@H]1CC[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)CN1CC#N 1071991434 FQELXDGNRRYGBU-ZJUUUORDSA-N 315.337 -0.476 30 20 DBED C#CCOCCC(=O)N1C[C@H](C)[C@H](NC(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1072094751 WFHDNKAGEDKFAI-ZHMBSYLPSA-N 320.389 -0.118 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC(C)(NC(=O)C(N)=O)CC1 1073061842 BDVJYRHPGANQRM-NEPJUHHUSA-N 323.393 -0.050 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)[C@@H]2CCNC(=O)CC2)C1 1073714369 QWTYCYYSIKVRHD-UONOGXRCSA-N 307.394 -0.257 30 20 DBED C#CCCN1CCO[C@H]2CCN(C(=O)Cn3cnnc3O)C[C@H]21 1074212176 LDTZJTUSYIKFRG-OLZOCXBDSA-N 319.365 -0.691 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)CCn3ccnn3)C[C@H]21 1074225362 DXEDNLIKFGFKJY-ZIAGYGMSSA-N 303.366 -0.397 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CCN(C(=O)[C@@H]2[C@H]3COC[C@H]32)CC1 1074681225 QYSMOYUTWMUQOI-WUHRBBMRSA-N 321.377 -0.492 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](NCc2nnnn2C)[C@@H]1C 1074899718 LBCVTVRHYKOIJG-RNJOBUHISA-N 320.397 -0.120 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)[C@H](C)OCC 1075714240 DXEARTQYLNXHRY-RYUDHWBXSA-N 311.382 -0.438 30 20 DBED C=CCN1CC[C@H](N2C[C@@H](O)[C@H](NC(=O)C3(C)CC3)C2)C1=O 1077038284 ZPYFCZJDTSCNLO-FRRDWIJNSA-N 307.394 -0.265 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)c2ccc3c(n2)OCCO3)C1 1077300502 AOBKBZSRXRNNLA-CHWSQXEVSA-N 317.345 -0.349 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)Cc2cccc(OCC)n2)C1 1077422782 RIEZRNYNBQIIGT-ZIAGYGMSSA-N 303.362 -0.183 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3nnn(C)c3C2)C1 1077576396 MHHUKYWAPZFHNV-NJZAAPMLSA-N 317.393 -0.895 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)c2ccc(C(=O)NC)nc2)C1 1078021550 DNCJCYIMZAXJIF-ZIAGYGMSSA-N 318.377 -0.208 30 20 DBED C[C@@H](CCNC(=O)[C@@H](C)C#N)NC(=O)CCc1cnn(C)n1 1078138161 SIMWNEYIILYJDU-QWRGUYRKSA-N 306.370 -0.082 30 20 DBED CC(C)C#CC(=O)N1CCCC[C@H]1CNC(=O)[C@H]1CNC(=O)N1 1082062332 MCFVFOSQXBOKHT-QWHCGFSZSA-N 320.393 -0.176 30 20 DBED CC#CCN1C[C@@H](NC(=O)[C@H]2CN(CC)CCO2)[C@H](OC)C1 1082377066 BDJGEVAPFLHWMZ-RBSFLKMASA-N 309.410 -0.454 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CN1CCCCCC1=O 1083269417 BYZQLRJFBZYTHY-LSDHHAIUSA-N 319.405 -0.066 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2cccc3c2NC(=O)CO3)C1 1083530283 HBLVJQXHNKIURK-NEPJUHHUSA-N 315.329 -0.574 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)Cn2ccccc2=O)C1 1084043288 LHJQKKGAIPSJPO-NEPJUHHUSA-N 311.769 -0.238 30 20 DBED COCCN1C[C@H](C(=O)N2C[C@H]3CCN(CC#N)C[C@H]32)CC1=O 1084385496 IOMCXLLQIZCBKP-MGPQQGTHSA-N 320.393 -0.462 30 20 DBED CC#CCN1CC[C@@H]2CN(C(=O)c3cn(C)c(=O)cn3)[C@@H]2C1 1084532614 GJWGVFSOSDUGFI-TZMCWYRMSA-N 300.362 -0.050 30 20 DBED CC#CCN1CC[C@H]1CN(C)C(=O)[C@H]1COCCN1C(C)=O 1085979531 VGYXDKKOQQLWKA-LSDHHAIUSA-N 307.394 -0.210 30 20 DBED C=CCN1CC[C@@H](N[C@H]2C[C@H](CNC(=O)c3nc[nH]n3)C2)C1=O 1086508319 MXPQDPZLMRWDIZ-IJLUTSLNSA-N 318.381 -0.310 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H](C)N(CC)c1ncccn1 1089622318 IYNLBGRKANTIGZ-GFCCVEGCSA-N 303.366 -0.053 30 20 DBED Cn1cc(CC(=O)N[C@@H]2CCN(CC#N)C[C@@H]2O)c(Cl)n1 1090564803 BBEQBXAYRSDTBR-MNOVXSKESA-N 311.773 -0.309 30 20 DBED C=CCN1CC[C@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)[C@H](O)C1 1090785261 YTZCTGXEKBUYNX-WDEREUQCSA-N 324.381 -0.946 30 20 DBED C=C(C)CCN1CC[C@@H](NC(=O)c2ccc(=O)n(C)n2)[C@H](O)C1 1090791552 UFLJUMUHTYCXJE-TZMCWYRMSA-N 320.393 -0.089 30 20 DBED COC[C@H](C)C(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@@H]1O 1091089220 VUVXDTCNNQJCAJ-GDLCADMTSA-N 304.350 -0.099 30 20 DBED CC(C)[C@@H](O)C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@@H]1O 1091092102 XWUHQQSENFAJRG-GRYCIOLGSA-N 305.338 -0.969 30 20 DBED N#Cc1ccc(N[C@H]2C[C@H](CNC(=O)Cn3cnnn3)C2)nc1 1091426416 SHRHENIQQMADII-HAQNSBGRSA-N 312.337 -0.053 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(c2ccc(C#N)nn2)C[C@H]1O 1092153928 OZUGERKMFJQTBE-CHWSQXEVSA-N 317.349 -0.393 30 20 DBED Cc1ccc(C#N)c(N2CCN(C(=O)CCNC(N)=O)CC2)n1 1093155889 VRKROJLXQFFFIY-UHFFFAOYSA-N 316.365 -0.031 30 20 DBED C#CCO[C@@H](C)C(=O)NCCNc1cncc(C(=O)N(C)C)n1 1093878219 IFXXUPABGKSKOA-NSHDSACASA-N 319.365 -0.255 30 20 DBED N#Cc1ccc(NCCCNC(=O)C(=O)NCC2CC2)nn1 1094545008 CXTDTYQXSSBICW-UHFFFAOYSA-N 302.338 -0.207 30 20 DBED COCCN1CCN(C(=O)[C@@H](C)C#N)[C@@H]2CS(=O)(=O)C[C@@H]21 1094614533 IANKSQBDIOMUBB-SDDRHHMPSA-N 315.395 -0.898 30 20 DBED C=CCCN1CC(N2C[C@@H](NC(=O)c3cnn[nH]3)CC2=O)C1 1094755904 JLTKMQPAPBQGEY-JTQLQIEISA-N 304.354 -0.604 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)Cn3nccc3C)CC2=O)C1 1094792685 UCXRBWOGRMESLH-ZDUSSCGKSA-N 315.377 -0.774 30 20 DBED CN(c1ncccc1C#N)[C@@H]1CCN(C(=O)CNC(N)=O)C1 1095091506 NAXWGYQYSHAFNK-LLVKDONJSA-N 302.338 -0.341 30 20 DBED CCNC(=O)CC(=O)N[C@@H]1CCN(c2ccnc(C#N)n2)C1 1096360400 MYNGLWZHMNBUIM-SNVBAGLBSA-N 302.338 -0.431 30 20 DBED N#Cc1ccc(N2[C@H]3CC[C@H]2CC(NC(=O)CC(N)=O)C3)nn1 1097118747 UBNHYRKUZZCJSP-RYUDHWBXSA-N 314.349 -0.160 30 20 DBED Cc1cc(C#N)nc(N2CCC[C@H](CNC(=O)CC(N)=O)C2)n1 1097289908 ULTUXMAEJCEYSC-LLVKDONJSA-N 316.365 -0.135 30 20 DBED N#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1nccnc1C(N)=O 1098349277 QYCFQUSEGIOJJS-BBBLOLIVSA-N 300.322 -0.566 30 20 DBED N#CCN(CCO)C1CCN(C(=O)c2cnnc(O)c2)CC1 1098399536 PIUFXBPSOVUPNY-UHFFFAOYSA-N 305.338 -0.395 30 20 DBED C=C(C)CN(CCO)C1CCN(C(=O)[C@H]2CN(C)C(=O)N2)CC1 1098447513 MVBDJDBKFIFCNM-CQSZACIVSA-N 324.425 -0.129 30 20 DBED N#CCNCc1cn([C@@H]2CCN(C(=O)c3ccnnc3)C2)nn1 1098740437 QPLAIVMQXLYKLD-CYBMUJFWSA-N 312.337 -0.232 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@H](C)NC(N)=O)CC2(CCOCC2)C1 1099576462 FMDYKPBGFNAJMR-STQMWFEESA-N 322.409 -0.336 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)CNC(=O)OC)[C@@H](O)C1 1099704780 QOXYJLIZRSTPNQ-RYUDHWBXSA-N 315.370 -0.904 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)c2[nH]nnc2C)[C@@H](O)C1 1099942399 RCOPQRFRZXKVFH-NEPJUHHUSA-N 309.370 -0.519 30 20 DBED CN(CCNC(=O)CC(N)=O)c1ccc([N+](=O)[O-])cc1C#N 1099971052 YKYQWRCMBFCPSF-UHFFFAOYSA-N 305.294 -0.106 30 20 DBED CCC(C)(C)C(=O)N[C@H]1CCN(CC(=O)NCC#N)C[C@H]1O 1099981334 NSYHBYRQWZELRV-NWDGAFQWSA-N 310.398 -0.386 30 20 DBED N#CCN1CC[C@@H](NC(=O)CCC(=O)NC2CCCC2)[C@H](O)C1 1100046156 HHIFRFMYSVUERQ-ZIAGYGMSSA-N 322.409 -0.100 30 20 DBED Cn1cnc(C(=O)NCC2CC(NCC(=O)NCC#N)C2)c1 1100244979 LXEZDYXRVQCTPT-UHFFFAOYSA-N 304.354 -0.842 30 20 DBED C=CCN1CC[C@@H](NC2CC(CNC(=O)CC(=O)NC)C2)C1=O 1100273724 HCLKEJRIHIHJDU-WXRRBKDZSA-N 322.409 -0.606 30 20 DBED C=CCNC(=O)CNC1CC(CNC(=O)[C@]2(C)CCC(=O)N2)C1 1100655115 HOZOWTJUOWLGCU-PPUFBPAQSA-N 322.409 -0.558 30 20 DBED C=CCOCCNC1CC(CNC(=O)C[C@H]2CC(=O)NC2=O)C1 1101083036 KWMUQYGJTFKTHC-CPCZMJQVSA-N 323.393 -0.274 30 20 DBED CCn1nc(C)c(C(=O)N(C)CCN=c2cc[nH]c(C#N)n2)n1 1101676877 AIYIJJWZHNSWCQ-UHFFFAOYSA-N 314.353 -0.126 30 20 DBED CNC(=O)CC(=O)NCC[C@@H]1CCN(c2cncc(C#N)n2)C1 1102312194 RFLIGHWHJVFAQC-LLVKDONJSA-N 316.365 -0.183 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1CCNC(=O)CCCS(N)(=O)=O 1103385947 SODJTXJOUJOWLA-VXGBXAGGSA-N 316.427 -0.347 30 20 DBED C[C@H](CNC(=O)[C@H]1CN(C)CCO1)CNc1cnc(C#N)cn1 1103889900 KIIATJVXLFRPHM-WCQYABFASA-N 318.381 -0.157 30 20 DBED C=CCC[C@H](C)NCc1cn(C2CN(C(=O)CC(N)=O)C2)nn1 1105197307 OBJUSXFPYZFTPY-NSHDSACASA-N 320.397 -0.019 30 20 DBED Cn1cc(C(=O)NC[C@H](O)CNc2ccc(C#N)cn2)cn1 1105715746 ASHWAZXNXGHKBR-GFCCVEGCSA-N 300.322 -0.110 30 20 DBED Cc1cc(C(=O)NC[C@H](O)CNc2nccnc2C#N)cnn1 1105813144 LCODJGBLIQYTFV-LLVKDONJSA-N 313.321 -0.351 30 20 DBED N#Cc1cnc(NC[C@H](O)CNC(=O)[C@H]2CCNC2=O)c(F)c1 1106051242 CQBSZGAFENZZGO-UWVGGRQHSA-N 321.312 -0.883 30 20 DBED CCN(CCNc1cncc(C#N)n1)C(=O)[C@H]1CCC(=O)N1 1106705452 BSHHVUWKYHMLEJ-LLVKDONJSA-N 302.338 -0.113 30 20 DBED C=CCOCC(=O)N(CC)CCNc1nccn2nnnc12 1106717426 ZFQRJUNVWTWOOQ-UHFFFAOYSA-N 305.342 -0.018 30 20 DBED CCN(CCNc1nccnc1C#N)C(=O)[C@@H]1CCC(=O)N1 1106808594 MQOLHSGZOIUMDF-JTQLQIEISA-N 302.338 -0.113 30 20 DBED C[C@@H]1CN(C(=O)CN2CC(=O)N(C)C2=O)C[C@H]1CNCC#N 1106871821 RKLRNBBWOUZYNH-GHMZBOCLSA-N 307.354 -0.912 30 20 DBED CN1CCOC[C@@H]1C(=O)NC/C=C\CNc1cnc(C#N)cn1 1107161466 IOMPRNSXRRATBH-XQJDBVBESA-N 316.365 -0.237 30 20 DBED C#CCO[C@H](C)C(=O)NC/C=C\CNc1nccn2nnnc12 1107347068 YJPVLWCFCZCJMM-DOGVGXBMSA-N 315.337 -0.358 30 20 DBED C#CCCN1CCO[C@](C)(CNC(=O)[C@@H]2CCNC(=O)C2)C1 1107864393 STTUHITZZZUBRN-CZUORRHYSA-N 307.394 -0.257 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H](C)CNc1nccn2nnnc12 1107948495 VQNJAKGCIMTIAE-ZJUUUORDSA-N 303.326 -0.526 30 20 DBED CC(=O)N[C@H](C)C(=O)N[C@H](C)CN(C)c1nccnc1C#N 1108817763 HFYPNKQYAVYDHR-NXEZZACHSA-N 304.354 -0.186 30 20 DBED C[C@@H](CN(C)c1ccc(C#N)nc1)NC(=O)[C@H](C)NC(N)=O 1108914985 BAOZRBOBQKBZTF-UWVGGRQHSA-N 304.354 -0.049 30 20 DBED CC(=O)NCC(=O)N[C@H](CNc1ccc(C#N)nn1)C1CC1 1109780820 FDRBSWXVKUVVJU-GFCCVEGCSA-N 302.338 -0.209 30 20 DBED C[C@@H](C#N)C(=O)N[C@]1(C)CCN(c2nccn3nnnc23)C1 1110736196 UNFULOWEBBZBIY-TVQRCGJNSA-N 300.326 -0.236 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cncn1C 1110773011 WOMWKFSZRZYNMF-UPJWGTAASA-N 315.377 -0.495 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H]1[C@H]2COC[C@H]21 1110917252 WGSBOIXRJLTCFY-ULSDXFBPSA-N 317.389 -0.650 30 20 DBED N#Cc1cnc(N2CC[C@@](O)(CNC(=O)[C@H]3CCCO3)C2)cn1 1111032097 SCMCEBJPOLULRN-IUODEOHRSA-N 317.349 -0.415 30 20 DBED N#Cc1cnccc1N1CC[C@](O)(CNC(=O)c2nc[nH]n2)C1 1111089311 QBBIAUSOPKABHD-AWEZNQCLSA-N 313.321 -0.557 30 20 DBED N#Cc1cncc(NCCN(CCO)C(=O)c2cnns2)n1 1111425403 ICIWJOBECVLVPF-UHFFFAOYSA-N 319.350 -0.254 30 20 DBED C#CCNC[C@]12CCC[C@H]1CN(C(=O)CN1CC(=O)NC1=O)C2 1112547027 QYOGQFRKFCISPE-LRDDRELGSA-N 318.377 -0.610 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)CNC(=O)C2CC2)CC1 1112649700 OVUYKXVNKFYEQV-LBPRGKRZSA-N 322.409 -0.653 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)Cc2cccnc2)CC1 1112767458 UBSUCWNCOHSUPR-UHFFFAOYSA-N 301.350 -0.592 30 20 DBED C[C@H](NC(=O)CN1CCOCC1)[C@@H](C)N=c1cc[nH]c(C#N)n1 1112970690 GYUQUKSCDWZBPF-NEPJUHHUSA-N 318.381 -0.593 30 20 DBED C=CCCO[C@H](C)C(=O)NC1[C@@H]2CN(Cc3nnnn3C)C[C@@H]12 1113995586 FJZZZCCBKGMLLG-IJLUTSLNSA-N 320.397 -0.262 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3cnnc(C)c3)[C@H]2C1 1114176268 STGOQAYAKNQPLR-STQMWFEESA-N 313.361 -0.806 30 20 DBED CNC(=O)NC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)C#CC(C)C)[C@H]2C1 1114234037 DQXZFQSGZPAMFM-CIQGVGRVSA-N 320.393 -0.464 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H]1[C@@H]2CN(Cc3nc(O)n[nH]3)C[C@@H]21 1114271620 YHWPBIKQZWCWSA-UXCLJVHYSA-N 305.338 -0.905 30 20 DBED C=CCOCCN1C[C@H]2C(NC(=O)[C@@H]3CCCNC3=O)[C@@H]2C1 1114433201 ILLTVQNWSGUVPI-JHJVBQTASA-N 307.394 -0.238 30 20 DBED C[C@H]1C[C@@H](NC(=O)C(=O)NCCNc2ncccc2C#N)CO1 1118146313 XIEGZTZROXXTJU-CMPLNLGQSA-N 317.349 -0.225 30 20 DBED C=CCS(=O)(=O)CCn1nnnc1N1CCO[C@@H](CC)C1 1120195850 FDIYOMJFUGVDEG-NSHDSACASA-N 315.399 -0.111 30 20 DBED Cc1cc(C(=O)NC[C@H](CO)Nc2cnc(C#N)cn2)on1 1121063269 ZDUNTZLVZXBDBE-SNVBAGLBSA-N 302.294 -0.153 30 20 DBED N#Cc1nc(=N[C@H](CO)CNC(=O)COC2CCCC2)cc[nH]1 1121086107 KNUILDHSVITGJD-NSHDSACASA-N 319.365 -0.382 30 20 DBED Cc1nc(N[C@@H](CO)CNC(=O)CCCC(N)=O)ccc1C#N 1121710519 FQXBCRNBKYOFDI-GFCCVEGCSA-N 319.365 -0.194 30 20 DBED C=CC(C)(C)C(=O)NC[C@H](CO)Nc1ncnc2c1nnn2C 1122310301 NMVSZTCZMSOKFH-SECBINFHSA-N 319.369 -0.141 30 20 DBED N#Cc1c[nH]ccc1=N[C@H](CO)CNC(=O)CCn1ccnc1 1122378326 GZIPOCUWDQLTPY-ZDUSSCGKSA-N 314.349 -0.449 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)c1ccccn1 1122590467 OIEZTPFIWPUDDD-NSHDSACASA-N 319.365 -0.199 30 20 DBED Cn1ccnc1C(=O)[C@H](C#N)C(=O)c1cn(C)c(=O)n(C)c1=O 1122631530 GJVKBQCQGNRVFN-MRVPVSSYSA-N 315.289 -0.977 30 20 DBED C=C[C@](C)(O)CC(=O)N(C)C[C@H](O)CNc1cncc(C#N)n1 1124267730 XOWPTWIDIHGLLM-DOMZBBRYSA-N 319.365 -0.093 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)[C@H]1CC1(F)F 1124305159 PEZGIBZPWUOTHX-DTWKUNHWSA-N 311.292 -0.343 30 20 DBED C#CCNC(=O)CC(=O)N(C)C[C@@H](O)CNc1ccc(C)nn1 1124314958 MSIVIGJUYCKGJX-LBPRGKRZSA-N 319.365 -0.844 30 20 DBED C#CCNC(=O)CC(=O)NCCNCc1nnc(C(C)C)n1C 1125978637 VVKVDXRZGJAUQM-UHFFFAOYSA-N 320.397 -0.716 30 20 DBED C=C(C)CN(CC)C(=O)CNCCNC(=O)C1CN(C(C)=O)C1 1126287313 FUWSYTXQMZNPKU-UHFFFAOYSA-N 324.425 -0.405 30 20 DBED C=C[C@](C)(O)CC(=O)NCCN[C@H](C)C(=O)NCCCOC 1126385057 SQEOKTIQIUVHGD-DOMZBBRYSA-N 315.414 -0.440 30 20 DBED N#Cc1cnccc1N1CC=C(CNC(=O)CNC(N)=O)CC1 1127546655 BXXPZMJGCZZNHU-UHFFFAOYSA-N 314.349 -0.126 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)CCc2cnn[nH]2)C1 1129271955 SBPALAZUPDACJK-OLZOCXBDSA-N 316.369 -0.444 30 20 DBED C=CCCC(=O)N1C[C@H](n2ccnn2)[C@H](NCC(=O)NC)C1 1129667137 PGOSOZHZLFVAEH-NEPJUHHUSA-N 306.370 -0.668 30 20 DBED C=CCN1CC[C@@H](c2n[nH]cc2CNC(=O)Cn2cnnn2)C1 1130342970 UEGHFHNJAPWPRC-LLVKDONJSA-N 316.369 -0.312 30 20 DBED CC#CCN1CC[C@@H](c2n[nH]cc2CNC(=O)CC(N)=O)C1 1130376619 NDDVDCGLYVXIJM-LLVKDONJSA-N 303.366 -0.286 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)COCCOC)C[C@@]3(C1)O2 1131210002 NMYISQMULKMOOT-SQWLQELKSA-N 308.378 -0.416 30 20 DBED C=CCOCC(=O)N[C@H](C)C[C@@H](C)NCC(=O)NC(=O)NC 1133909322 KACSUYWYLCLUGA-GHMZBOCLSA-N 314.386 -0.483 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1ccnc(N(C)C)c1 1134606405 ZDUHMENASHTHFS-GFCCVEGCSA-N 317.393 -0.395 30 20 DBED Cc1cnn(C)c1C(=O)N[C@H](C)C[C@@H](C)NCC(=O)NCC#N 1135217533 DIBSMJHZWKETKC-VXGBXAGGSA-N 320.397 -0.145 30 20 DBED C=CCOCC(=O)N1CC2(CCN(Cc3nnnn3C)C2)C1 1147260697 FMLYMHHDPXAGOY-UHFFFAOYSA-N 306.370 -0.553 30 20 DBED C#CCOc1ncccc1C(=O)NCCNC[C@@H](O)COC 1148302555 QBUONZYZUSOGQF-GFCCVEGCSA-N 307.350 -0.580 30 20 DBED C=CCNC(=O)CN1CCCO[C@H](CNC(=O)[C@H](C)OC)C1 1149295061 YTTJQKTZXUYSMH-QWHCGFSZSA-N 313.398 -0.469 30 20 DBED C=CCN1CCCO[C@H](CNC(=O)COCc2nncn2C)C1 1150542036 WJOYDLCZSAQOQU-CYBMUJFWSA-N 323.397 -0.275 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H](C)N(CC)Cc1cnn(C)c1 1152883250 RYMAOUAWKUVHHJ-CYBMUJFWSA-N 319.409 -0.114 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)C[C@H]1COC(=O)C1 1156587336 YDGRPPOAWRDFMC-VXGBXAGGSA-N 309.366 -0.827 30 20 DBED C#CCCCC(=O)NCCCNCCN(C)S(C)(=O)=O 1157170076 ABWSFTMNVUCINQ-UHFFFAOYSA-N 303.428 -0.223 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCCN[C@@H](C)C(=O)NC(=O)NC 1157202867 YWCOIFMARUWJFC-IINYFYTJSA-N 314.386 -0.747 30 20 DBED CCCN1C[C@H](C(=O)NCCCNCC#CCOC)CC1=O 1167429745 WUOIAPJSCKXMGG-CQSZACIVSA-N 309.410 -0.009 30 20 DBED C#CCCNCCCC[C@H](C)NC(=O)CN1CCNC(=O)C1 1174658875 IYAMRFJXNBZGJX-AWEZNQCLSA-N 308.426 -0.294 30 20 DBED C[C@@H](CCCCNCC#N)NC(=O)CC[C@@H]1NC(=O)NC1=O 1176484981 AQZGFOAGWIJTSS-QWRGUYRKSA-N 309.370 -0.237 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@H]1CN(CC)CCO1 1176637186 ZDXVQELIWHEPQI-CYBMUJFWSA-N 312.414 -0.895 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@H](NCCS(C)(=O)=O)[C@@H]1C 1178678173 AULFAWMXPSSGHF-AVGNSLFASA-N 316.423 -0.352 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)c2cc(OC)no2)C1 1182121445 MUCOTZYGPXNGDK-SNVBAGLBSA-N 308.338 -0.211 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@@H](NCc2nc(COC)no2)C1 1182505042 OXILWIUEXFBLSU-NWDGAFQWSA-N 322.365 -0.055 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)[C@@H]2CCNC(=O)C2)C1 1189623497 ZHBRWPMJFFUJGC-CHWSQXEVSA-N 322.409 -0.653 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2n[nH]c(C)c2O)C1 1189663964 JIKGQWMBAAHRAS-NSHDSACASA-N 321.381 -0.128 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](N(C)Cc2nnn(C)n2)C1 1190121742 QYMYDMMSJYVDQT-GFCCVEGCSA-N 306.370 -0.717 30 20 DBED N#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C[C@@H]2C=CCCC2)C1 1194032670 SHEUJVPHPRJVIY-MGPQQGTHSA-N 320.393 -0.466 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCCN(C(=O)CNC(=O)CC)CC1 1195356778 ZIMYTXURTZSMSZ-CYBMUJFWSA-N 324.425 -0.262 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C(C)(C)C2CC2)C1 1195566853 CVOVCUNRKJVSJG-CHWSQXEVSA-N 309.410 -0.114 30 20 DBED CC(C)CC(=O)N1CCCO[C@H](CNCC(=O)NCC#N)C1 1199724480 GVEPWIDMYJMBLS-CYBMUJFWSA-N 310.398 -0.121 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CCN(C(=O)[C@H](O)C(C)C)CC1 1200364050 XORNWCTVDNSDEB-TZMCWYRMSA-N 309.410 -0.278 30 20 DBED CC(C)(C)C(=O)NCC(=O)N1CCCO[C@@H](CNCC#N)C1 1202048804 GQRBPVBQEAIINE-LBPRGKRZSA-N 310.398 -0.121 30 20 DBED CCn1ncc(C(=O)N2CCC[C@H](NCC(=O)NCC#N)C2)n1 1207979803 NUIPWXUFYNHGPG-NSHDSACASA-N 319.369 -0.868 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)c2cnn(C)n2)[C@H](C)C1 1209446239 CUCKCNUMDOYABO-NQBHXWOUSA-N 320.397 -0.444 30 20 DBED CO[C@@H]1CN([C@@H](C)C(=O)N(C)C)C[C@H]1NC(=O)C#CC(C)C 1212241811 ZGDRLRSEKYFMAN-BFHYXJOUSA-N 309.410 -0.062 30 20 DBED C=CCCCN1C[C@@H](NC(=O)C[C@@H]2CC(=O)NC2=O)[C@H](OC)C1 1214001964 PYGWHCMWPHKLDA-JHJVBQTASA-N 323.393 -0.179 30 20 DBED C[C@@H]1CN(C(=O)C(=O)C(C)(C)C)C[C@H]1NCC(=O)NCC#N 1214352294 YAZNCKXJPUHVOW-GHMZBOCLSA-N 308.382 -0.322 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)c2ccn(C)c2)C[C@H]1C 1214434259 ZQEVDHAZBDDZRM-TZMCWYRMSA-N 302.378 -0.175 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@H](C)SC)C1 1219240501 PKMURMZOBDUJFS-AXFHLTTASA-N 301.412 -0.799 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)C2(C)CCC2)C1 1220143212 YOFCDLLBJHMXMK-UPJWGTAASA-N 307.394 -0.524 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)CC[C@@H](C)CC)C1 1220596102 LGSIFZZOBTWVNV-MJBXVCDLSA-N 309.410 -0.277 30 20 DBED C=CCCCN1C[C@H](O)[C@H](NC(=O)C2(C(=O)N(C)C)CC2)C1 1220733773 MUVFNYJYTCWLPU-OLZOCXBDSA-N 309.410 -0.018 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)[C@@]23CCCN(CC2)C3)C1 1220860188 FJEZNTYDRYOUBU-VYDXJSESSA-N 321.421 -0.717 30 20 DBED COCC#CCN1CC[C@@H]2CN(C(=O)CN3CCCC3=O)[C@@H]2C1 1221253164 JSXHAUSFPGUSAF-HUUCEWRRSA-N 319.405 -0.209 30 20 DBED Cn1ccnc1COCC(=O)N1C[C@H]2CCN(CC#N)C[C@H]21 1221637122 RVOWPZYWHWGEFC-CHWSQXEVSA-N 303.366 -0.007 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CCN(C(=O)[C@H](C)C#N)C[C@@H]21 1222442132 DTHRYUQORXRNQH-MCIONIFRSA-N 302.378 -0.182 30 20 DBED N#CCN1CCS(=O)(=O)[C@H](CCNC(=O)c2ccnnc2)C1 1230502629 JOVARVNWSUDBKC-GFCCVEGCSA-N 323.378 -0.781 30 20 DBED C=CCN1C(=O)C(=O)N(Cc2nc(Cn3cncn3)no2)C1=O 1254882060 HIBQRMTUGKAXTD-UHFFFAOYSA-N 317.265 -0.814 30 20 DBED COC(=O)CCCc1nc(Cn2ccc(C=NO)nc2=O)no1 1318963118 MISZLMBKEXEUHQ-UHFFFAOYSA-N 321.293 -0.022 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)NCCc1cccc(C(N)=O)c1 1323780602 AACKKSVIKIOTTD-CYBMUJFWSA-N 319.361 -0.239 30 20 DBED N#CCN1CCC(NC(=O)NC[C@@H]2CCCS2(=O)=O)CC1 1324566011 KHKKNHFHKZUIPB-LBPRGKRZSA-N 314.411 -0.149 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N1CCC[C@H](C(=O)NC)C1 1327176251 KIEVSQLTACVENN-LBPRGKRZSA-N 311.382 -0.368 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CC[C@](F)(C#N)C2)nn1 1328106622 FPQPUXSBCHZTOW-ZDUSSCGKSA-N 306.301 -0.456 30 20 DBED Cc1cnc(S(C)(=O)=O)nc1C(=O)NC1(C#N)CCOCC1 1330901176 QMFVJHGJGMLYNW-UHFFFAOYSA-N 324.362 -0.009 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)NC[C@@H]1C=CCC1 1332213269 IEVCSDZTSZFXEA-LLVKDONJSA-N 300.380 -0.214 30 20 DBED CC#CC[C@@H](CO)NC(=O)CNS(=O)(=O)c1ccccc1 1332495198 ZWYOJOLIGXERIG-LBPRGKRZSA-N 310.375 -0.145 30 20 DBED C=CCOCCn1nnnc1N1CCC[C@H](S(C)(=O)=O)C1 1334170450 DKUFRPUUPIMCGK-NSHDSACASA-N 315.399 -0.111 30 20 DBED N#CC1CCN(C(=O)C(=O)N2CC[C@H](C3OCCO3)C2)CC1 1334969936 IHRXSPHZYGJODG-LBPRGKRZSA-N 307.350 -0.030 30 20 DBED C=CCn1c([C@H]2CNC(=O)C2)nnc1N1CCN(C)C(=O)C1 1339505446 OHJVOCOKEPUVSK-SNVBAGLBSA-N 304.354 -0.654 30 20 DBED CNS(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@H](C)C#N)cc1 1342244942 PCWQSBBFMVEYJK-SECBINFHSA-N 324.362 -0.191 30 20 DBED C#C[C@H](NCC(=O)N[C@H]1CCS(=O)(=O)C1)[C@@H]1CCCO1 1342949433 LNKUCLSYHWMINH-SRVKXCTJSA-N 300.380 -0.940 30 20 DBED CC(C)(C)N1C[C@H](NC(=O)C(=O)N2CC[C@@](F)(C#N)C2)CC1=O 1343022261 LHEGDXHCWDKAIB-MEBBXXQBSA-N 324.356 -0.034 30 20 DBED Cn1c(NN=C2C(=O)NC(=O)NC2=O)nc2ccccc2c1=O 1343846789 DMLYIHIUQWBIOF-UHFFFAOYSA-N 314.261 -0.933 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)N[C@H]2CCN3CCCC[C@@H]23)C1 1349190599 WVQSYMBFTWLAMY-XEZPLFJOSA-N 320.393 -0.394 30 20 DBED CN(C)C[C@@H]1CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)C1 1362331251 AAQAQKVIILXELM-JTQLQIEISA-N 305.338 -0.769 30 20 DBED N#Cc1cn(CC(=O)N[C@H](CO)CC2CCCC2)c(=O)nc1O 1362417072 HMMXQZWSGLIUOI-LBPRGKRZSA-N 320.349 -0.122 30 20 DBED CC(C)OC(=O)[C@@H](C)N(C)C(=O)Cn1cc(C#N)c(O)nc1=O 1362473860 UOADZFGHUBNJBU-SECBINFHSA-N 322.321 -0.381 30 20 DBED CC[C@@H](C#N)C(=O)N1CC(n2cnc3c(N)nc(N)nc32)C1 1363644125 XQCJIJZXIKTXPF-ZETCQYMHSA-N 300.326 -0.076 30 20 DBED Cc1n[nH]c(C)c1CNC(=O)Cn1cc(C#N)c(O)nc1=O 1364024932 KDXKQWHLZMAQKK-UHFFFAOYSA-N 302.294 -0.523 30 20 DBED CCN(CCC#N)S(=O)(=O)N[C@@H]1CCc2nnnn2CC1 1364867640 RZOCWQSWYAQTMP-SNVBAGLBSA-N 313.387 -0.552 30 20 DBED CCN(CCC#N)C(=O)CN(C)CCNC(=O)[C@@H]1CCC(=O)N1 1366584360 MTOAQKALQGCTSF-LBPRGKRZSA-N 323.397 -0.925 30 20 DBED C[C@H](CNC(=O)COCc1nncn1C)CNC(=O)[C@H](C)C#N 1375765077 VIAQFXXMMDFILX-GHMZBOCLSA-N 322.369 -0.640 30 20 DBED COC[C@@H](O)CN1CC[C@](O)(CNC(=O)c2cc(C#N)c[nH]2)C1 1376012286 VVOHZMHPMZEMCN-WFASDCNBSA-N 322.365 -0.940 30 20 DBED COCCC(C)(C)C(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1O 1384826634 XPMIPVMQYYIKEF-TUAOUCFPSA-N 311.382 -0.103 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)CCCn2cncn2)C1 1396959216 ZBOZYWRPZWVGFZ-RYUDHWBXSA-N 304.354 -0.065 30 20 DBED COC(=O)[C@H]1[C@@H](O)CCCN1S(=O)(=O)CC(C)(C)C#N 1414248614 QPGHJNDUJNIPPM-VHSXEESVSA-N 304.368 -0.136 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1snnc1C1CC1 1416769114 LJRGRRXXOCPJQQ-VXNVDRBHSA-N 323.378 -0.218 30 20 DBED C[C@@H]1CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)C[C@H]1O 1417699726 MVRLPYJTEOHDRS-MWLCHTKSSA-N 306.322 -0.560 30 20 DBED CCN(CCNC(=O)[C@@H](C)NS(C)(=O)=O)C(=O)[C@@H](C)C#N 1429708325 JKSYRWQPQTZGBP-VHSXEESVSA-N 318.399 -0.952 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(CC(=O)N2CCCCC2)C1 1440037647 IRENAAVGEWBXQJ-GFCCVEGCSA-N 308.382 -0.679 30 20 DBED CCN1CC[C@@H](N(CCNC(=O)[C@H](C)C#N)CCOC)C1=O 1442174117 PMXQGSYERFRDHV-CHWSQXEVSA-N 310.398 -0.169 30 20 DBED Cc1nn(C)cc1CCC(=O)NC[C@@H](O)CNC(=O)[C@H](C)C#N 1452411982 QUEURYFEZHRAIQ-ZWNOBZJWSA-N 321.381 -0.586 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)CC[C@@H]2CCCN2C)C1 1479956237 VOVAVYICAORRQZ-GJZGRUSLSA-N 320.437 -0.199 30 20 DBED C=C(Cl)CN1CC(O)(CNC(=O)C[C@H]2CCC(=O)NC2)C1 1500850970 MDZZOINFJBPMED-LLVKDONJSA-N 315.801 -0.182 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]1CN(C)C(=O)CNC(=O)C1CC1 1514539843 GWAWAFWKHXBMSM-ZYHUDNBSSA-N 306.366 -0.268 30 20 DBED CNC(=O)[C@H](C#N)C(=O)c1nnn(Cc2cc(C)no2)c1C 1523894480 LZBWYXBXBVOPRB-SNVBAGLBSA-N 302.294 0.000 30 20 DBED Cc1cc(C(=O)N2CC(NC(=O)[C@H](C)C#N)C2)ncc1C(N)=O 1530618113 LUTLLWXVJFLWTG-SECBINFHSA-N 315.333 -0.411 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 1573561402 KFQKLZXQIANYIF-QMMMGPOBSA-N 316.325 -0.457 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CCN(C(=O)CCOCc2cnn[nH]2)C1 1575175543 BEGFXTYJKYEWMD-MNOVXSKESA-N 320.353 -0.412 30 20 DBED C[C@H](O)C[C@@H]1COCCN1c1cnc(C#N)c(-c2nn[nH]n2)n1 1575479554 DTEIJOWXMDLKKB-DTWKUNHWSA-N 316.325 -0.496 30 20 DBED COCCN(CCNC(=O)c1ccc(C#N)[nH]1)Cc1cnn[nH]1 1576999617 PHBKTVIPBHHFFE-UHFFFAOYSA-N 317.353 -0.117 30 20 DBED CCn1cc(-c2nn[nH]n2)c(=O)n(Cc2ccncc2C#N)c1=O 1578736545 IFXNTCDEMCPNSE-UHFFFAOYSA-N 324.304 -0.475 30 20 DBED C#CCN1C[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)[C@@H]2C1 1588353324 NXDBUNVGMRISNK-GXFFZTMASA-N 311.349 -0.026 30 20 DBED C#CCN(CC(=O)O)C(=O)N[C@@H]1CCOC[C@@H]1OCCOC 1588409934 MNRHDWXBBUDUMQ-NEPJUHHUSA-N 314.338 -0.464 30 20 DBED C=C[C@H](O)C(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@H]1C(=O)O 1588451952 FZABXPAHKXNXRX-FXQIFTODSA-N 324.255 -0.344 30 20 DBED C=CC[C@@H](OC(=O)CN1CCC[C@H](C(=O)O)C1=O)C(=O)OC 1588753091 AABVXRJRZNPCKI-VHSXEESVSA-N 313.306 -0.030 30 20 DBED C[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N[C@H](C#N)CO 1590028659 QVABAFYFRGLMLL-DTWKUNHWSA-N 302.294 -0.365 30 20 DBED C#CCC[C@H](O)CNC(=O)C(=O)Nc1cccc(C(=O)O)n1 1602701281 DSSWMGFAIAEDSM-VIFPVBQESA-N 305.290 -0.391 30 20 DBED C=CCn1cc(C(=O)N2C[C@@H](C(=O)O)CC[C@@H]2C(=O)OC)nn1 1602937840 KOROHPOIWZRFOM-GXSJLCMTSA-N 322.321 -0.058 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C)c1ccncc1-c1nn[nH]n1 1602983629 KZEZEZVLTKNKNS-VIFPVBQESA-N 300.326 -0.026 30 20 DBED CNC(=O)CCNS(=O)(=O)c1ccc(C#N)cc1C(=O)O 1606266984 ITOJZKCIPIPUGW-UHFFFAOYSA-N 311.319 -0.329 30 20 DBED N#CCN1CCOC[C@@H]1CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 1606350451 WFJXNOSMBYAXKC-JTQLQIEISA-N 316.325 -0.851 30 20 DBED N#Cc1nc(NC[C@@H](O)C(F)(F)F)cnc1-c1nn[nH]n1 1606397349 ONYBPCTYTIRVMR-RXMQYKEDSA-N 300.204 -0.137 30 20 DBED Cc1cc(N2CC[C@@](O)(CC#N)C2)n2nc(C(=O)O)nc2n1 1610467707 HZVMCTPDPWNAMG-ZDUSSCGKSA-N 302.294 -0.014 30 20 DBED Cn1c(N2CCSC[C@H](C(=O)O)C2)c(C#N)c(=O)n(C)c1=O 1610598444 RVLMRDVGIZVGOS-MRVPVSSYSA-N 324.362 -0.790 30 20 DBED N#CCN1CCC[C@H](NC(=O)CCCN2C(=O)CNC2=O)C1 1660855203 BJROEGYWOQIFGV-NSHDSACASA-N 307.354 -0.577 30 20 DBED C#Cc1cncc(C(=O)N2CCC[C@H](CNCC(N)=O)C2)c1 1752807088 YYNYZUYEWLRYFC-CYBMUJFWSA-N 300.362 -0.010 30 20 DBED CO[C@H](C(=O)N1CCC[C@H](N(C)CC(=O)NCC#N)C1)C1CC1 1752990017 NYYLZILNWQVPMG-ZFWWWQNUSA-N 322.409 -0.026 30 20 DBED N#CCNC(=O)CN1CC[C@H](CNC(=O)CC2OCCCO2)C1 1753123462 SNPAFRSZNRGOKI-GFCCVEGCSA-N 324.381 -0.783 30 20 DBED Cn1ccc(CN2CC(NC(=O)CSCC#N)C2)cc1=O 1753370302 CVABDDLOSPNCBF-UHFFFAOYSA-N 306.391 -0.058 30 20 DBED COCC#CCNC[C@@H](O)CNC(=O)[C@H]1Cc2ccccc2O1 1753917343 DFDDARSGVGDSSI-GDBMZVCRSA-N 318.373 -0.293 30 20 DBED C=CCNC(=O)NC(=O)CNCC[C@@H](C)NC(=O)c1ncc[nH]1 1753963180 GKLUNVHWNVVOQX-SNVBAGLBSA-N 322.369 -0.481 30 20 DBED C#CCNC(=O)CNC[C@@H](C)NC(=O)C[C@@H](C)n1cccn1 1754247824 AJFDRBPMPFRZIC-CHWSQXEVSA-N 305.382 -0.322 30 20 DBED C#CCOCCC(=O)NCC1(N[C@H]2CCCN(C)C2=O)CC1 1754513912 JHEKDNXZJUPWQV-ZDUSSCGKSA-N 307.394 -0.115 30 20 DBED C#CCNC(=O)CNC1(CNC(=O)CN2[C@@H](C)CC[C@@H]2C)CC1 1754535233 DINVBAPLZSYQOJ-KBPBESRZSA-N 320.437 -0.153 30 20 DBED C#CCCNC[C@]1(C)CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 1754705700 JDFRZOCUBPNPNT-ZENOOKHLSA-N 307.394 -0.129 30 20 DBED C#CCCN1CC(O)(CNC(=O)c2cnn(CCOCC)c2)C1 1754777647 WLCZPYVEONOARC-UHFFFAOYSA-N 320.393 -0.281 30 20 DBED CCn1ccc(CC(=O)N2CCC[C@](CO)(NCC#N)C2)n1 1755082737 BDTWCEIVRKJMOL-HNNXBMFYSA-N 305.382 -0.088 30 20 DBED CC#CCN(C)[C@@H](C)CNC(=O)[C@H](C)NS(=O)(=O)CC 1755302975 JMDVPBICRKHPFM-RYUDHWBXSA-N 303.428 -0.226 30 20 DBED C#CCNC(=O)CN1CC([C@@H](C)NC(=O)c2cc(C)nn2C)C1 1755375746 QQZUBTWWEOSJOO-GFCCVEGCSA-N 317.393 -0.472 30 20 DBED C=C1CC(C)(C(=O)NC[C@H](CO)NC(=O)C[C@H]2CCNC2=O)C1 1756548209 JVVUJUPOFCROJF-VXGBXAGGSA-N 323.393 -0.538 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@H](NC(=O)c2ccn(C)c(=O)c2)C1 1757189598 UMEWEICVNUCZCV-OLZOCXBDSA-N 319.361 -0.347 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cnn(C)c1)C2 1800456232 PBWSJKBSVJGRHG-YWVIFJGQSA-N 316.361 -0.815 30 20 DBED CN1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC#N)C3)C1 1801555987 LSBRGINAQVJTNW-AGGWBTHJSA-N 320.393 -0.559 30 20 DBED O=C(O)C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCOC1 1803238646 ZRJWJRWSDMJKMF-FVCCEPFGSA-N 320.345 -0.251 30 20 DBED N#CCCC(=O)N1CC2(CCCN2C(=O)[C@@H]2CCC(=O)N2)C1 1842735760 GRDZYKPJDCWEGK-NSHDSACASA-N 304.350 -0.228 30 20 DBED C=CCNC(=O)NC(=O)CN(CC)[C@@H]1CCS(=O)(=O)C1 71013391 XSGLWLKDAOCNEY-SNVBAGLBSA-N 303.384 -0.493 30 20 DBED N#Cc1ccc(F)c(CNC(=O)NCCS(N)(=O)=O)c1 174033306 UINZGWMQDUDEIM-UHFFFAOYSA-N 300.315 -0.215 30 20 DBED C=CCN(C(=O)[C@@H]1C[C@H]1C(=O)OC)[C@H]1CCS(=O)(=O)C1 263895297 NHTJWDQKYFYSPT-HBNTYKKESA-N 301.364 -0.003 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1CC[C@H](NC(=O)NC2CC2)C1 274120621 AMDBDKMXGTZKHB-JQWIXIFHSA-N 323.397 -0.077 30 20 DBED C#CCOc1ccccc1NC(=O)C(=O)N[C@@H]1CCN(C)C1=O 274906648 GEYXPEWBNOBMLL-GFCCVEGCSA-N 315.329 -0.016 30 20 DBED Cc1nc2n(n1)C[C@H](NS(=O)(=O)N(C)[C@H](C)CC#N)CC2 283071356 UUGYLMGAHQPKAG-MWLCHTKSSA-N 312.399 -0.030 30 20 DBED C=C[C@H](CO)NS(=O)(=O)c1ccc(S(=O)(=O)NC)cc1 290059436 BSOHGIYGQPXTSZ-SECBINFHSA-N 320.392 -0.580 30 20 DBED C=C[C@@H](CO)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 290591956 MJWYAGHBZACMOE-JQWIXIFHSA-N 323.374 -0.112 30 20 DBED N#Cc1ccc2c(c1)N(C(=O)C(=O)N1C[C@H]3C[C@H]1C(=O)O3)CC2 296203275 CFQVXAKFCBMSDL-YPMHNXCESA-N 311.297 -0.026 30 20 DBED CN1C(=O)C[C@H](C(=O)N2CC(O)(CC#N)C2)[C@@H]1c1ccnn1C 329064546 ONHUBRFZLTVPFH-GXFFZTMASA-N 317.349 -0.574 30 20 DBED C[C@H]1[C@@H](C)N(/C(O)=N/CC(=O)N2CCOCC2)CC[S@@]1=O 329228281 IMZPAKVMDOQKSJ-NNOLRYQLSA-N 317.411 -0.400 30 20 DBED CN(CC(=O)N1CC[C@H](O)C1)S(=O)(=O)c1ccc(C#N)cc1 330465150 PXCNOSMVLWSTMJ-LBPRGKRZSA-N 323.374 -0.228 30 20 DBED CCNC(=O)CN1CCN(/C(O)=N/CC(=O)N(C)CC)CC1 331054758 OKHMMHMTPQMFBL-UHFFFAOYSA-N 313.402 -0.868 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)NC[C@@H]1CCCS1(=O)=O 337764507 LXTYIZNMBZMLOC-UWVGGRQHSA-N 309.413 -0.368 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N[C@@H](C)CO[C@@H]1CCOC1 341505899 SPGPMUGFLJHHQG-QWHCGFSZSA-N 314.382 -0.042 30 20 DBED C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cnc[nH]1 347044762 RXXZQYPPGJHHNS-VIFPVBQESA-N 305.381 -0.227 30 20 DBED C=CCN(C)C(=O)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O 355975337 FHZNNGOUPJTLQN-NSHDSACASA-N 305.338 -0.714 30 20 DBED C=CCOC[C@@H](NS(=O)(=O)[C@@H](C)C(=O)N(C)C)C(=O)OC 360605018 PAUBUUGIPBTSQQ-VHSXEESVSA-N 322.383 -0.873 30 20 DBED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCCN 419820365 RVSPAWBZJXXXRS-UHFFFAOYSA-N 317.393 -0.477 30 20 DBED C=CCn1cc(CNC(=O)c2ncn([C@H]3CCCNC3)n2)nn1 424208728 KNNABBVNTRYATD-LBPRGKRZSA-N 316.369 -0.090 30 20 DBED C#CCNC(=O)C1CCN(C(=O)NCC(=O)NCC=C)CC1 491096866 XHWLHULPYBYMEA-UHFFFAOYSA-N 306.366 -0.540 30 20 DBED C=CCNC(=O)CNC(=O)N1CCS(=O)(=O)[C@@H](C)[C@@H]1C 561850964 UJSBLLRYHBSJPP-UWVGGRQHSA-N 303.384 -0.494 30 20 DBED C=CCC[C@H](NC(=O)c1nc(N)nc(N(C)C)n1)C(=O)OCC 566016637 PFXXUKFQMAOZLW-VIFPVBQESA-N 322.369 0.148 30 20 DBED N#Cc1cnn2cc(CN3CCN(C(=O)CO)CC3)cnc12 567888580 JTQFTLWCGLCYTN-UHFFFAOYSA-N 300.322 -0.763 30 20 DBED N#Cc1cncc(S(=O)(=O)N2CCN3CCOC[C@H]3C2)c1 577308812 SVPYKFMECNWOFV-GFCCVEGCSA-N 308.363 -0.342 30 20 DBED N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@@H]2CCCNC2)cc1 582906487 UQJOEZNUOMQKNX-GFCCVEGCSA-N 322.390 -0.295 30 20 DBED CN(CCC#N)C[C@@H](O)CN[C@@H]1CCCN(S(C)(=O)=O)C1 584405363 BPKJGIVBKAPGSK-OLZOCXBDSA-N 318.443 -0.794 30 20 DBED CC#CC[C@H](CO)NS(=O)(=O)c1cc(C(=O)OC)no1 599336809 REQHWXMJKYLMNZ-MRVPVSSYSA-N 302.308 -0.486 30 20 DBED CN1C(=O)CN(CC(=O)Nc2n[nH]c(C3CC3)c2C#N)C1=O 600824134 FQKYRVDKJKIWGS-UHFFFAOYSA-N 302.294 -0.009 30 20 DBED CCn1ccc(NC(=O)C(=O)N2CCN(CCC#N)CC2)n1 602079920 JSYFAZOYUNOGRB-UHFFFAOYSA-N 304.354 -0.101 30 20 DBED N#C[C@@]1(NC(=O)CCN2CCCS2(=O)=O)CCSC1 604174571 HXJXSJZKTABPQR-NSHDSACASA-N 303.409 -0.073 30 20 DBED C#CCCN1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)CC1 727852097 RICVENCCQPTIKX-UHFFFAOYSA-N 304.350 -0.906 30 20 DBED N#Cc1ccc(C(=O)OCC(=O)N2CCCC[C@@H]2C(N)=O)nc1 730892769 VDMWQNFKQSHMEP-GFCCVEGCSA-N 316.317 -0.024 30 20 DBED C#CCOCCNC(=O)Nc1cnn(CCN2CCOCC2)c1 752672397 FSPCEMQNUWPSEP-UHFFFAOYSA-N 321.381 -0.013 30 20 DBED C#CCOCCC(=O)NC[C@H]1CCC[C@]12NC(=O)N(C)C2=O 755950478 MEAWJNPHSRVILX-ABAIWWIYSA-N 307.350 -0.137 30 20 DBED C#CCNC(=O)[C@@H](C)OC(=O)c1cc(S(N)(=O)=O)c(C)o1 756446959 JECKFRRFSIMLAN-MRVPVSSYSA-N 314.319 -0.470 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1cccc(C(N)=O)n1 781723804 XNAMLPFUZBHUEM-MRVPVSSYSA-N 320.305 -0.262 30 20 DBED Cn1c(=O)c2nc(COC(=O)C(C)(C)C#N)[nH]c2n(C)c1=O 785192204 SVTZFEZFWPMOLS-UHFFFAOYSA-N 305.294 -0.447 30 20 DBED C=CCNC(=O)CN1CCN(c2cncc(C(=O)O)n2)CC1 833377144 NVAGYQVREQDXPT-UHFFFAOYSA-N 305.338 -0.401 30 20 DBED C#C[C@H](NC(=O)N[C@@H](CC)CNS(C)(=O)=O)[C@H]1CCCO1 838559244 LSAAPXZUCJMUQD-SDDRHHMPSA-N 317.411 -0.206 30 20 DBED C#CCCN(CCOC)CN1CC2(CCOCC2)[C@H](O)C1=O 853621037 NRRGKYBRHBGQPF-CQSZACIVSA-N 310.394 -0.085 30 20 DBED C=CCCC(=O)[C@H]1CCCN1C(=O)CN1C(=O)C(=O)N(C)C1=O 908647566 GOPBANTVQSRADW-SNVBAGLBSA-N 321.333 -0.067 30 20 DBED Cn1cc(C=NNc2ncnc3c2cnn3C)c(=O)n(C)c1=O 915962535 JWOBMVOIYJPWRV-UHFFFAOYSA-N 314.309 -0.793 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2nnc(O)nc2O)C[C@@H]1C 947505869 GEIDHJNXRCAECX-VHSXEESVSA-N 305.338 -0.111 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCN(CC(N)=O)[C@H](C)C2)nn1 947792782 SDBBRAXEZOHCBO-MNOVXSKESA-N 306.370 -0.468 30 20 DBED CS(=O)(=O)CC(=O)N1CCC2(CC1)CN(CC#N)CCO2 949311819 UNJLUBZMLSRVDJ-UHFFFAOYSA-N 315.395 -0.752 30 20 DBED C[C@@H](C#N)C(=O)N1[C@H]2CCC[C@H]1CN(C(=O)[C@@H]1COC(=O)N1)C2 952706806 DMFADUHIFKESGZ-BJDJZHNGSA-N 320.349 -0.154 30 20 DBED N#CCN1CCN(C(=O)c2cn(C[C@H]3CCOC3)nn2)CC1 953835536 IDEBOMBEPFTUDV-GFCCVEGCSA-N 304.354 -0.404 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)C1CN(C(=O)CC(C)(C)O)C1 954631153 QJRXJTWOSHPCRU-AWEZNQCLSA-N 321.421 -0.086 30 20 DBED COCCn1ccc(C(=O)N(C)C2CN(C(=O)[C@@H](C)C#N)C2)n1 954888684 XYGGHCUESTZAIM-NSHDSACASA-N 319.365 -0.028 30 20 DBED C=CCCN1C[C@H](O)[C@H](CNC(=O)C2CS(=O)(=O)C2)C1 958096966 SONKCMWLNBYZMI-PWSUYJOCSA-N 302.396 -0.984 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2cc3n(n2)CCCC3)C1 958161383 JFCBHOJRROYHSA-DOMZBBRYSA-N 302.378 -0.125 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](CNC(=O)c2nc3ncccn3n2)C1 958507058 KMRSGDCXEIUHLP-VXGBXAGGSA-N 316.365 -0.277 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2ccsn2)C1 958875717 YLBHDLCZHKOXRA-MIMYLULJSA-N 308.363 -0.054 30 20 DBED C=CCn1cccc1C(=O)NC[C@H]1CN(C(=O)C(N)=O)C[C@H]1C 959573970 VQUPJTHVUQNGND-NEPJUHHUSA-N 318.377 -0.016 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CC23CCN(C(=O)C(N)=O)CC3)c[nH]1 963662896 CUTGFQXAPQUWPU-LLVKDONJSA-N 315.333 -0.517 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H]1CCCN(C(=O)C(N)=O)C1 967404052 JLBXYXPYYSPKQA-UPJWGTAASA-N 323.393 -0.240 30 20 DBED C#CCCN1C[C@H]2CC[C@H]1CN2C(=O)[C@H]1CCS(=O)(=O)N1 972122907 TZWCAOIVLIWZIS-YNEHKIRRSA-N 311.407 -0.623 30 20 DBED CC#CCN1CCO[C@]2(CCN(C(=O)C[C@@H]3CCNC3=O)C2)C1 972405246 NMSGGHSLZANNDK-WMLDXEAASA-N 319.405 -0.161 30 20 DBED Cn1nncc1C(=O)N[C@H]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 973142169 KODUXRSJGGIDII-MGCOHNPYSA-N 313.321 -0.294 30 20 DBED C#Cc1cncc(C(=O)N[C@H]2C[C@@H](NC(=O)c3cn(C)nn3)C2)c1 974088743 LHKRHHRJMZKXAN-BETUJISGSA-N 324.344 -0.118 30 20 DBED COc1cc(C(=O)N[C@H]2[C@@H]3CN(C(=O)[C@@H](C)C#N)C[C@@H]32)nn1C 976896300 SCTOSFAWXBJPEL-QISWUMQESA-N 317.349 -0.225 30 20 DBED C=CCN1C[C@@H]2C(CNC(=O)[C@@H]3CN(C(C)=O)CCO3)[C@H]2C1 979017603 UMXAENRHHJRJFD-KFWWJZLASA-N 307.394 -0.286 30 20 DBED C=C(C)CN(C)[C@@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 980425692 DRDAHSJHPLZFNO-NEPJUHHUSA-N 301.412 -0.213 30 20 DBED C[C@H]1[C@@H](NCC#N)CCN1C(=O)c1cc(=O)n2[nH]cnc2n1 987357203 YQDSTZZTELQLCM-IUCAKERBSA-N 301.310 -0.866 30 20 DBED CC(=O)N1CC(C(=O)N(C)C[C@H]2CCN(C(=O)[C@@H](C)C#N)C2)C1 988289632 XZZGBTPJMSSBDF-WCQYABFASA-N 320.393 -0.069 30 20 DBED Cc1c[nH]nc1C(=O)N[C@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1O 991469007 ISLHPACJQIZPLL-STQMWFEESA-N 316.361 -0.177 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)c3nnn(C)n3)C[C@]2(C)C1 993265083 AVZOVKKSTWGAQP-RULNRJAQSA-N 317.353 -0.710 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H](NCC(=O)N2CCOCC2)C1 998746452 NYUMSXZXHWTTHL-OLZOCXBDSA-N 308.382 -0.415 30 20 DBED CC#CCN1CC=C(CNC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 1001211888 ARIKWRXFAONWPE-LBPRGKRZSA-N 304.350 -0.644 30 20 DBED C[C@@H]1CCN(C(=O)C(N)=O)C[C@@H]1NC(=O)c1c[nH]c(C#N)c1 1004745388 QNCORPNLKJMSQB-KCJUWKMLSA-N 303.322 -0.662 30 20 DBED CCn1ncc(C(=O)NCC2[C@@H]3CN(C(=O)[C@@H](C)C#N)C[C@@H]23)n1 1009045306 XKBVUNDVXSTNFO-DLOVCJGASA-N 316.365 -0.108 30 20 DBED CC#CCN1CCC[C@@H](NC(=O)c2cn(C)c(=O)nc2O)C1 1009491777 BKAGSZPZHXWFKK-LLVKDONJSA-N 304.350 -0.297 30 20 DBED CN1C[C@H](C(=O)N2CCN(C(=O)C#CC3CC3)CC2)CC1=O 1011111189 DSJLTNZPBRHJLV-CYBMUJFWSA-N 303.362 -0.451 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C(=O)[C@@H]2CCNC(=O)CC2)CC1 1011680401 SECLUSFUNIAKFW-RYUDHWBXSA-N 306.366 -0.267 30 20 DBED C=CCN1CC[C@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)C1 1016341196 KDBKVRWHFDUPTO-NSHDSACASA-N 306.370 -0.644 30 20 DBED O=C(NC[C@@H]1CN(C(=O)C#CC2CC2)CCCO1)c1cnn[nH]1 1019619715 XGAGGBHIFIGKEQ-GFCCVEGCSA-N 317.349 -0.435 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H](NCc2nc(=O)n(C)[nH]2)C1 1022737301 STCIOTLBFYQPKZ-KXNHARMFSA-N 321.381 -0.564 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2O)nc1 1024922293 ZEMCCAITEAHLDG-ZLKJLUDKSA-N 312.329 -0.476 30 20 DBED C=CCN1CC[C@@H](CNC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 1028725173 VMFDYNWCFVGRGV-NSHDSACASA-N 316.369 -0.068 30 20 DBED CC#CCN1CC(CNC(=O)c2nc(O)nc(O)c2OC)C1 1032126372 CCEUTYNRPFXNNH-UHFFFAOYSA-N 306.322 -0.419 30 20 DBED CC#CCN1CCO[C@@H](CNC(=O)c2cc3n(n2)CCO3)C1 1035399992 WUYBJCWKWLSRJP-LBPRGKRZSA-N 304.350 -0.271 30 20 DBED C#CCN1CCO[C@H](CNC(=O)C2CCC(C(N)=O)CC2)C1 1035424751 WPBRRKZKTSXJGJ-JXQTWKCFSA-N 307.394 -0.272 30 20 DBED C#CCCN1C[C@H]2C[C@H]1[C@H]2NC(=O)CN1C(=O)NC(C)(C)C1=O 1037701314 KJPPGVMQCRTZNJ-MDZLAQPJSA-N 318.377 -0.471 30 20 DBED CCCn1nc(C(=O)N[C@@H]2[C@H]3C[C@H]2N(CC#N)C3)ccc1=O 1037718142 QQYBWEMFGXWILP-ZKYQVNSYSA-N 301.350 -0.021 30 20 DBED CC[C@@H]1CN(C(=O)CN2CC(=O)N(C)C2=O)CC[C@@H]1NCC#N 1037969291 WLVNNJWBFVQEFH-NEPJUHHUSA-N 321.381 -0.379 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCCOC3)C2)nn1 1040944276 KFAUBBATCGCDJA-RAIGVLPGSA-N 317.349 -0.559 30 20 DBED N#Cc1nccc(N2C[C@@H](O)[C@H](NC(=O)Cc3ccoc3)C2)n1 1040997885 PDBIEKVPGHOEBW-VXGBXAGGSA-N 313.317 -0.150 30 20 DBED Cc1nocc1C(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1O 1041316535 SCXNMSKPKPZFQJ-VXGBXAGGSA-N 314.305 -0.376 30 20 DBED C#CCN1CC[C@]2(CCN(C(=O)[C@H]3CCS(=O)(=O)N3)C2)C1 1041835976 NGWLEZCWDUUHNA-OCCSQVGLSA-N 311.407 -0.764 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)Cc2cnn(C)c2)C1 1041951840 IYAVIJFHEADDJO-UHFFFAOYSA-N 318.377 -0.689 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]3C=C[C@H]2O3)C1 1042801290 JGXQHNGKJKQOCB-MGPQQGTHSA-N 318.373 -0.177 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(O)CN(C(=O)c2cc[nH]n2)C1 1042809481 LWBGNWOACMVBFY-ZDUSSCGKSA-N 308.338 -0.960 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)c2cncn2C)C1 1042940694 FHXSYVNRGJMXDN-UHFFFAOYSA-N 304.350 -0.617 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)c2coc(C)n2)C1 1043032395 ABLJLDHWUFDWPG-UHFFFAOYSA-N 321.333 -0.674 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2cc(C)on2)C1 1043041817 KRBCYYAIYKRADX-NSHDSACASA-N 321.333 -0.676 30 20 DBED C=CCCOCC(=O)NCC1(O)CN(C(=O)CCCOC)C1 1043563872 DOTKERUPFHJLIY-UHFFFAOYSA-N 314.382 -0.305 30 20 DBED CCCN(C)CCC(=O)NCC1(O)CN(C(=O)[C@@H](C)C#N)C1 1044291423 QVZBRPMASOPSKU-LBPRGKRZSA-N 310.398 -0.433 30 20 DBED CC[C@@H](F)C(=O)NCC1(O)CN(C(=O)CSCC#N)C1 1044789631 PBNRCHJOFKVPRW-SECBINFHSA-N 303.359 -0.319 30 20 DBED C=C[C@H](C)[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2nc[nH]n2)C1 1044978809 AAIQLKSDTAYKRW-VHSXEESVSA-N 307.354 -0.434 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)CCCC(=O)N(C)C)C1 1045547389 ZHFKOLNAQKCAEA-NSHDSACASA-N 324.381 -0.906 30 20 DBED C#CCN1[C@H]2CC[C@H]1CN(C(=O)CN1CCOCC1=O)CC2 1045795952 IJVIRARPHKVCTO-KBPBESRZSA-N 305.378 -0.456 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)Cn2ccc(C)cc2=O)C1 1047550141 QNYPGHBEVJOVRE-GJZGRUSLSA-N 317.389 -0.316 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C(N)=O)cc2)C1 1047623861 SDBSNZSAKWFFAO-KBPBESRZSA-N 301.346 -0.464 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](F)CC)C1 1049200357 IHUDCNHUEUDWRO-SRVKXCTJSA-N 302.346 -0.033 30 20 DBED C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)Cn1nc(C)n(C)c1=O 1049872859 ZXBIOTSGNJUBHQ-KGLIPLIRSA-N 317.393 -0.411 30 20 DBED C[C@H](NC(=O)C(N)=O)[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 1050491995 PWIIKRLCKTVVLJ-IUCAKERBSA-N 303.322 -0.662 30 20 DBED CC#CCN1CCOC[C@H]1CNC(=O)c1cc(C(N)=O)c[nH]1 1051188009 FJAGIAGTMZIZAH-GFCCVEGCSA-N 304.350 -0.433 30 20 DBED CC#CCN1CCOC[C@@H]1CNC(=O)c1cnn(C)c1OC 1051224799 BHXNDEPDYNYINP-LBPRGKRZSA-N 306.366 -0.117 30 20 DBED N#Cc1ccc(N2CC[C@@H](NC(=O)c3cnn[nH]3)[C@H](O)C2)nc1 1051808325 ZRWICLCGLJAQRB-ZYHUDNBSSA-N 313.321 -0.559 30 20 DBED CC(C)(C(N)=O)C(=O)N1CC[C@@H](N2CCN(CC#N)CC2)C1 1052041892 VJRGLNCIZLKJHV-GFCCVEGCSA-N 307.398 -0.760 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)c1cc[n+]([O-])cc1)CCO2 1053142191 PTJOEXQPYIYIQJ-UHFFFAOYSA-N 301.346 -0.130 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)CCc1nc[nH]n1)CCO2 1053211050 CHPYENPQPNUKJU-UHFFFAOYSA-N 303.366 -0.326 30 20 DBED C#CCN1CC2(C1)CN(C(=O)[C@H](C)CN1CCOCC1)CCO2 1053533229 ROPSXUPEAGDAIJ-OAHLLOKOSA-N 321.421 -0.499 30 20 DBED C#CCN1CC2(CC[C@H](CNC(=O)[C@H]3CC(=O)N(C)C3)O2)C1 1053606504 LXDFEELLQQYISS-QWHCGFSZSA-N 305.378 -0.553 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)c3ccc4nncn4c3)CO2)C1 1053954469 BATXZEHJMZQWQX-GFCCVEGCSA-N 312.333 -0.174 30 20 DBED C=CCOCC(=O)N[C@]1(CO)CCCN(C(=O)c2cnn[nH]2)C1 1055833242 GUYXISHYNKKJBR-CQSZACIVSA-N 323.353 -0.909 30 20 DBED Cc1nn[nH]c1C(=O)N[C@@]1(CO)CCCN(C(=O)[C@H](C)C#N)C1 1056034510 XMINJSYBIPVTLE-OTYXRUKQSA-N 320.353 -0.644 30 20 DBED Cc1c(C(=O)NC2[C@@H]3CN(c4cncc(C#N)n4)C[C@@H]23)nnn1C 1056177005 ZIQCBZYMSTVXJH-GHMZBOCLSA-N 324.348 -0.350 30 20 DBED CC(C)(C)C#CC(=O)N(CCO)CCNC(=O)c1nc[nH]n1 1057539397 VYBSNFRSCVBODM-UHFFFAOYSA-N 307.354 -0.595 30 20 DBED C=C(C)CCC(=O)N(CCO)CCNC(=O)CCn1cncn1 1057807407 BGKKUNIHFATXHV-UHFFFAOYSA-N 323.397 -0.038 30 20 DBED C[C@@]1(C(=O)N[C@H]2CCN(c3cncc(C#N)n3)C2)CNC(=O)C1 1058494321 PDJFDOOJGYQDAO-BONVTDFDSA-N 314.349 -0.431 30 20 DBED CN1C[C@@H](C(=O)N[C@@H]2CCN(c3ccnc(C#N)n3)C2)CC1=O 1058578725 ZXWVYWLMBNUTPT-WDEREUQCSA-N 314.349 -0.479 30 20 DBED CN1CCC[C@@H]1C(=O)N[C@H]1C[C@@H](N=c2cc[nH]c(C#N)n2)C1 1059586173 LMYDXENSJNUJII-GRYCIOLGSA-N 300.366 -0.077 30 20 DBED C=CCCO[C@@H](C)C(=O)NCC[C@H]1CCN(C(=O)C(N)=O)C1 1060271951 ZTUNDUVQEPUGBO-RYUDHWBXSA-N 311.382 -0.192 30 20 DBED C=CCOCC(=O)NCC[C@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 1060411375 RVSCZCKRUAGITP-XQQFMLRXSA-N 323.393 -0.335 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](CNc2ccc3nnnn3n2)C1 1060824358 FEPDXHZBZJISNL-UWVGGRQHSA-N 300.326 -0.061 30 20 DBED C#CCCCC(=O)NC[C@H]1COCCN1C(=O)[C@@H](C)NC(C)=O 1061537059 XSOCDUWDPAWGNM-OCCSQVGLSA-N 323.393 -0.342 30 20 DBED C#CCOCCC(=O)NC[C@@H]1COCCN1C(=O)C#CC1CC1 1061581796 UNXGRBJFEQWGBO-OAHLLOKOSA-N 318.373 -0.217 30 20 DBED CC(=O)NC(C)(C)C(=O)NC[C@@H]1COCCN1C(=O)[C@@H](C)C#N 1061709554 VFFVQIHYINBOGB-CMPLNLGQSA-N 324.381 -0.596 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)c1cc[n+]([O-])cc1 1061845240 FVUMYZRCAODQHL-DGCLKSJQSA-N 318.333 -0.563 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)CCc1nc[nH]n1 1061847022 RKHQIWQXUKQDJZ-MNOVXSKESA-N 320.353 -0.759 30 20 DBED C#CCO[C@@H](C)C(=O)NC1(CNC(=O)CNC(C)=O)CCC1 1062412569 UNAIJDJDBPVKSN-NSHDSACASA-N 309.366 -0.684 30 20 DBED C#CCNC(=O)CC(=O)NC1(CNC(=O)c2cc[nH]n2)CCC1 1062591993 HBVKLAABWMVICU-UHFFFAOYSA-N 317.349 -0.682 30 20 DBED CC(C)(C)C#CC(=O)NC1(CNC(=O)[C@H]2CNC(=O)N2)CCC1 1064272421 MOPXVOAZMPDWIU-LLVKDONJSA-N 320.393 -0.128 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)[C@@H]2CC(=O)N(C)C2)CCO1 1065243186 NWUSYXMGCXGLBP-OLZOCXBDSA-N 323.393 -0.226 30 20 DBED C[C@]1(NC(=O)[C@@H]2CCNC2=O)CCN(c2nccnc2C#N)C1 1065312117 FGVPMWCWYYMPEB-BMIGLBTASA-N 314.349 -0.431 30 20 DBED C=CCO[C@H](C)C(=O)NC[C@@H]1CN(C(=O)c2nc[nH]n2)CCO1 1065449735 OHADSIAAVGDCOV-GHMZBOCLSA-N 323.353 -0.647 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(C(=O)Cc2nc[nH]n2)CCO1 1065642491 STJYGSOZRIKDPQ-LBPRGKRZSA-N 317.349 -0.896 30 20 DBED N#Cc1cnccc1N1C[C@@H](O)[C@@H](CNC(=O)c2cccnn2)C1 1067678856 VZAWADXAPNALNR-SWLSCSKDSA-N 324.344 -0.030 30 20 DBED C#CCO[C@H](C)C(=O)N1CC2(CN(C(=O)[C@H](C)C#N)CCO2)C1 1068450954 CNKWAYKZTSDDSL-CHWSQXEVSA-N 319.361 -0.376 30 20 DBED N#Cc1nccnc1NC[C@H]1C[C@H](NC(=O)Cn2nccn2)C1 1068535081 MUPVKDVGEWRJBJ-XYPYZODXSA-N 312.337 -0.053 30 20 DBED CN(C(=O)[C@H]1COC(=O)N1)C1CC(N=c2cc[nH]c(C#N)n2)C1 1069735642 CRCYDUJFKDJXDX-UDNWOFFPSA-N 316.321 -0.720 30 20 DBED C=CCN1CCn2ncc(CNC(=O)[C@@H]3CNC(=O)N3)c2C1 1069871651 JQWZBGNXYFROAY-NSHDSACASA-N 304.354 -0.818 30 20 DBED CC#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)Cn2ccnc2)C1 1070109376 UNOCCWFTSHFXLW-KGLIPLIRSA-N 313.365 -0.460 30 20 DBED N#CCN1CCN([C@@H]2CCCN(C(=O)c3cnco3)C2)C(=O)C1 1071268835 BMEDZRSBWMSFLG-GFCCVEGCSA-N 317.349 -0.053 30 20 DBED C#CCCCC(=O)N1CCC(C)(NC(=O)CNC(N)=O)CC1 1072982701 XEPHJVMLCFWMPD-UHFFFAOYSA-N 308.382 -0.045 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)c2cnn(CCOC)c2)C1 1073873538 DHROVZWAKAHYAW-HNNXBMFYSA-N 320.393 -0.017 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)c2ccc(=O)n(C)n2)C1 1073880964 YGEYFZICBJWLLQ-GFCCVEGCSA-N 304.350 -0.766 30 20 DBED CNC(=O)CC(=O)N1CC[C@H](NC(=O)C#CC2CC2)[C@@H](C)C1 1073945909 KVEYDIOOFJLDDM-AAEUAGOBSA-N 305.378 -0.111 30 20 DBED CCn1cc(CC(=O)N2CC[C@H]3OCCN(CC#N)[C@H]3C2)nn1 1074302020 KGACXUQLOOVWTA-UONOGXRCSA-N 318.381 -0.334 30 20 DBED C[C@H]1[C@@H](NCC#N)CCN1C(=O)C1CC2(C1)NC(=O)NC2=O 1074962493 WEIYWURHHRVLLY-PKJDEHMXSA-N 305.338 -0.923 30 20 DBED N#CCN1C[C@@H]2CCN(C(=O)c3ccc(S(N)(=O)=O)o3)[C@@H]2C1 1075986945 VFRVKQXVCUYCRP-VHSXEESVSA-N 324.362 -0.403 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)c1cn[nH]c1 1076218142 YAIRDCWEJFOCEH-JTQLQIEISA-N 305.338 -0.826 30 20 DBED C#CCOCCC(=O)NCC[C@H](C)NC(=O)c1nccnc1N 1076504002 HMQLZJRONOSTLT-NSHDSACASA-N 319.365 -0.277 30 20 DBED C[C@@H](CCNC(=O)CNC(=O)N1CCCC1)NC(=O)[C@@H](C)C#N 1076505122 IPIKYKOHZAHCFI-RYUDHWBXSA-N 323.397 -0.038 30 20 DBED CC(C)C#CC(=O)N[C@@H](C)CCNC(=O)C[C@H]1CC(=O)NC1=O 1077317776 GDXZDHMGUNZJGY-RYUDHWBXSA-N 321.377 -0.290 30 20 DBED C[C@H](C#N)C(=O)NCCCCCN1CCN(C(=O)C(N)=O)CC1 1079165735 FNTUAHAVXKFBRK-GFCCVEGCSA-N 323.397 -0.938 30 20 DBED CCC(=O)NCC(=O)NC1(CO)CCN(C(=O)[C@H](C)C#N)CC1 1080778578 KJQYLIZOJASLFQ-LLVKDONJSA-N 324.381 -0.858 30 20 DBED Cc1n[nH]cc1C(=O)NC1(CO)CCN(C(=O)[C@@H](C)C#N)CC1 1080931478 VUPNLLFGVTWAJP-JTQLQIEISA-N 319.365 -0.039 30 20 DBED CC(C)C#CC(=O)N1C[C@H](CNC(=O)c2ccon2)[C@@H](O)C1 1081305043 LIVDPYGOWWQJBH-AAEUAGOBSA-N 305.334 -0.117 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)C2=COCCO2)C[C@H]1O 1081441296 GPFCMVVRSAOVOJ-QWHCGFSZSA-N 322.361 -0.386 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(C(=O)c2n[nH]cc2F)C[C@H]1O 1081471474 NXZFNBULIXQMSK-ZYHUDNBSSA-N 320.324 -0.489 30 20 DBED C=CC(C)(C)C(=O)NC[C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1O 1081642829 LMVNFNUOHDFJBZ-VXGBXAGGSA-N 321.381 -0.574 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@@H]1CC(=O)N(CC(C)C)C1 1081761982 TXKUMJAWSHCWFD-MGPQQGTHSA-N 322.409 -0.170 30 20 DBED C#CCOCCC(=O)N1CCCC[C@H]1CNC(=O)CC(N)=O 1082073789 WVVOEGLATLMIHR-LBPRGKRZSA-N 309.366 -0.601 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@]12CCCN(CC1)C2 1083259239 ROKUQCJINCFBBZ-LZWOXQAQSA-N 304.394 -0.093 30 20 DBED C[C@@H](C(N)=O)N1CC[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)[C@@H]2C1 1084293429 HAXCIYPTGCLBEC-OPQQBVKSSA-N 301.350 -0.094 30 20 DBED CC1(C)C[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)CCN(CC#N)C1 1089408903 MQARLBHQDOVSRU-QWRGUYRKSA-N 321.381 -0.285 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2ccc3nc[nH]c3n2)[C@H](O)C1 1090352707 NRVPYSVJJYDNBK-BXKDBHETSA-N 300.322 -0.354 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2ccc(N(C)C)nc2)[C@@H](O)C1 1090385807 SJHARDRFGJJYPU-KGLIPLIRSA-N 302.378 -0.054 30 20 DBED CN(C)c1ccncc1C(=O)N[C@@H]1CCN(CC#N)C[C@@H]1O 1090733911 IHBGPTNLWLOLLN-OCCSQVGLSA-N 303.366 -0.164 30 20 DBED Cn1nnnc1CNC1CC(CNC(=O)c2ccc(C#N)[nH]2)C1 1090988537 XIZYTOUMKCHJAZ-UHFFFAOYSA-N 314.353 -0.292 30 20 DBED COC[C@H](C)CC(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1091137883 XMQMIYQFSVCVPN-RTXFEEFZSA-N 319.365 -0.313 30 20 DBED Cc1nsc(N2CC[C@@H](NC(=O)CC(N)=O)[C@H](O)C2)c1C#N 1092134180 KSXJBIYWUAURRN-NXEZZACHSA-N 323.378 -0.746 30 20 DBED C#CCN1CCC(C(=O)NC[C@@H]2CN(CC(N)=O)C[C@H]2C)CC1 1093224414 VKMJFZGHSZOELC-UKRRQHHQSA-N 320.437 -0.499 30 20 DBED CC(=O)N1CC[C@H](C(=O)NCCN=c2cc[nH]cc2C#N)C1 1093781867 XORBDRFPIDKFMI-LBPRGKRZSA-N 301.350 -0.228 30 20 DBED CCc1nc(C#N)cc(NCCNC(=O)c2nnn(C)n2)n1 1094045296 RLTBJYYBSJXNFU-UHFFFAOYSA-N 301.314 -0.724 30 20 DBED CCc1nc(C#N)cc(NCCNC(=O)[C@H]2C[C@H]2C(N)=O)n1 1094121865 YKJWDJYKHUGJHG-ZJUUUORDSA-N 302.338 -0.440 30 20 DBED C[C@H]1CC(=O)N[C@@H](C(=O)NCCNc2cncc(C#N)n2)C1 1094178345 ASJYWSMHPXPJCG-MWLCHTKSSA-N 302.338 -0.209 30 20 DBED CC#CCN1CC(n2cc(CNC(=O)c3csnn3)nn2)C1 1094308090 DWJVHABDNYIJJD-UHFFFAOYSA-N 317.378 -0.060 30 20 DBED N#CCN1CC(n2cc(CNC(=O)[C@H]3C[C@]34CCOC4)nn2)C1 1094334564 VWKNNMPOGVBBRO-HIFRSBDPSA-N 316.365 -0.299 30 20 DBED Cc1ncc(C(=O)N[C@H]2CC(=O)N(C3CN(CC#N)C3)C2)[nH]1 1094715299 JVODTHHDAQNKPD-JTQLQIEISA-N 302.338 -0.743 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)[C@@]3(C)CCOC3)CC2=O)C1 1094801150 IVLVGBUGMZUORA-WBMJQRKESA-N 305.378 -0.553 30 20 DBED COCC(=O)N(C)CC(=O)NCCCN=c1cc[nH]cc1C#N 1094849554 IISHEEAIKUPSQH-UHFFFAOYSA-N 319.365 -0.602 30 20 DBED CN1C[C@H](C(=O)NCCCN(C)c2cnc(C#N)cn2)CC1=O 1095761750 NPSJAZIXUMCRND-LLVKDONJSA-N 316.365 -0.231 30 20 DBED CC(=O)NCC(=O)NC[C@H](Nc1ccc(C#N)nn1)C1CC1 1096559018 DWKWKJLVFWDANS-LBPRGKRZSA-N 302.338 -0.209 30 20 DBED C[C@@H](CNC(=O)C[C@H]1CC(=O)NC1=O)Nc1cncc(C#N)n1 1097945962 ZRYUGQRZPBYWII-IUCAKERBSA-N 316.321 -0.682 30 20 DBED CNC(=O)CC(=O)N1CCC[C@H](N(C)c2ccc(C#N)nn2)C1 1098683574 DSZYGKAWVULMJB-LBPRGKRZSA-N 316.365 -0.088 30 20 DBED CNC(=O)NCC(=O)N1C[C@H]2CC[C@H]1[C@@H]1CN(CC#N)C[C@H]21 1099488397 IIIDMCXUSBTNTG-LPWJVIDDSA-N 305.382 -0.392 30 20 DBED C#CCCCCC(=O)N[C@H]1CCN(CC(=O)NCC#N)C[C@H]1O 1099786960 SCZMNDDFDJZRRV-UONOGXRCSA-N 320.393 -0.629 30 20 DBED Cn1nccc1COCC(=O)N[C@@H]1CCN(CC#N)C[C@H]1O 1099890208 ONNTXTPDPQWCSV-CHWSQXEVSA-N 307.354 -0.988 30 20 DBED C=CCCCN1CC[C@@H](NC(=O)CN2CC(=O)NC2=O)[C@H](O)C1 1100033421 DYQKLLRLVROHQV-VXGBXAGGSA-N 324.381 -0.944 30 20 DBED CN(CCNC(=O)c1cnn(C)c1N)c1ccnc(C#N)n1 1100071076 RKLQETABIHTMLU-UHFFFAOYSA-N 300.326 -0.470 30 20 DBED COCC#CCN1CC[C@H](NC(=O)Cc2cncn2C)[C@H](O)C1 1100074974 WIZJWRPNQKWYFI-LSDHHAIUSA-N 320.393 -0.836 30 20 DBED N#Cc1cnccc1N1CCC[C@@H]1CNC(=O)CNC(N)=O 1100779210 CRPQWFPSSKFLGH-LLVKDONJSA-N 302.338 -0.293 30 20 DBED CCc1nc(C#N)cc(N2CCC[C@@H]2CNC(=O)CC(N)=O)n1 1100811325 BPGNMZYGOCHRLT-LLVKDONJSA-N 316.365 -0.129 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)[C@@H](COC)OC)c3nccn32)C1 1101641283 MLQDQSBCQMHBDA-QWHCGFSZSA-N 318.377 -0.250 30 20 DBED C#CCCN1C[C@@H](C)[C@H](CNC(=O)CN2CC(=O)NC2=O)C1 1102472808 WTPWORGJRDGTJX-VXGBXAGGSA-N 306.366 -0.754 30 20 DBED CNC(=O)NCC(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(C#N)cn1 1102575330 SWMZHFRCWQBVGS-RYUDHWBXSA-N 314.349 -0.328 30 20 DBED C[C@H](CNc1cncc(C#N)n1)N(C)C(=O)Cn1nccn1 1104701963 QHLUZRKNSDPQSX-SNVBAGLBSA-N 300.326 -0.101 30 20 DBED C=CCNCc1cn(C2CN(C(=O)[C@H]3CC[C@@H]3C(N)=O)C2)nn1 1105300701 AWFGZTISJGOCTP-STQMWFEESA-N 318.381 -0.552 30 20 DBED N#Cc1cncc(NC[C@@H](O)CNC(=O)c2ccc(O)nn2)n1 1105734946 HQCQLJNFDZLSRC-SECBINFHSA-N 315.293 -0.953 30 20 DBED COC[C@@H](C)C(=O)NC[C@@H](O)CN=c1cc(C)[nH]cc1C#N 1105746096 CHJYWXJRLQPQSP-MFKMUULPSA-N 306.366 -0.145 30 20 DBED N#Cc1cnc(NC[C@@H](O)CNC(=O)CC(N)=O)c(Cl)c1 1105764151 XXKSNICKXIOSJQ-QMMMGPOBSA-N 311.729 -0.629 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)C[C@@H]2COC(=O)C2)cn1 1105819861 MQHMEQMGFZWCQU-GXFFZTMASA-N 318.333 -0.205 30 20 DBED N#Cc1cc(C(=O)NC[C@@H](O)CNc2nccnc2C#N)c[nH]1 1105830445 COJPBAKBWWOPIH-NSHDSACASA-N 311.305 -0.249 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)CO[C@@H]2CCOC2)nc1 1105972406 IZCVGHNROCOOHO-QWHCGFSZSA-N 320.349 -0.352 30 20 DBED CCN(CCN=c1cc(C)[nH]cc1C#N)C(=O)Cn1cnnn1 1106679150 CKTMMURHPRBYBM-UHFFFAOYSA-N 314.353 -0.369 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)N1C[C@@H](C)[C@H](CNCC(N)=O)C1 1106733881 JIPQMAYXFIJKKX-MRVWCRGKSA-N 324.425 -0.373 30 20 DBED CN1CCO[C@@H](C(=O)NC/C=C/CNc2ccc(C#N)nn2)C1 1107093049 BAZPOTMQCMRWJW-YWVDXFKGSA-N 316.365 -0.237 30 20 DBED N#Cc1cnc(NC/C=C/CNC(=O)Cn2ncnn2)c(F)c1 1107355851 ZJIMHVPXVVAMOM-OWOJBTEDSA-N 316.300 -0.137 30 20 DBED COC[C@@H](OC)C(=O)NC/C=C/CN=c1cc[nH]c(C#N)n1 1107497276 FWLMCLHDICDDMR-PGLGOXFNSA-N 305.338 -0.484 30 20 DBED CN1C[C@H](C(=O)NC/C=C/CN=c2cc[nH]cc2C#N)CC1=O 1107568757 OLUGIRNSRNMZLJ-QAVQXKDTSA-N 313.361 -0.062 30 20 DBED Cn1cc(C(=O)NC/C=C/CN=c2cc[nH]c(C#N)n2)ccc1=O 1107587332 SAKMGUFFBTVCNY-NSCUHMNNSA-N 324.344 -0.133 30 20 DBED C#CCCN1CCO[C@@](C)(CNC(=O)C[C@H](C)NC(N)=O)C1 1107942479 TVOLPPAIANWQCY-WFASDCNBSA-N 310.398 -0.336 30 20 DBED C[C@]1(CNC(=O)[C@H]2CCS(=O)(=O)C2)CN(CC#N)CCO1 1108057745 KGWZVYMMVMRDDC-AAEUAGOBSA-N 315.395 -0.848 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)c1cn(C)c(=O)n1C 1108412118 MZHPETSNTOFKIK-VIFPVBQESA-N 315.337 -0.962 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)C(=O)C(C)(C)C)CC2=O)C1 1108524853 DFCDQMZYAOBBET-NSHDSACASA-N 305.378 -0.364 30 20 DBED C=C(C)CN1CC(N2C[C@H](NC(=O)CCN(C)C)CC2=O)C1 1108567746 AKUDLBNEVCUXMY-CYBMUJFWSA-N 308.426 -0.085 30 20 DBED C[C@@H](CN(C)c1cncc(C#N)n1)NC(=O)CS(C)(=O)=O 1108837401 SJFPHLMCKCMXIT-VIFPVBQESA-N 311.367 -0.666 30 20 DBED C[C@H](CN(C)c1cncc(C#N)n1)NC(=O)[C@@H]1COCCN1C 1108943159 LVBLPUMKCAMHAV-YPMHNXCESA-N 318.381 -0.380 30 20 DBED Cn1nnnc1CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C#CC1CC1 1109251704 HMWAPTGSVMYLEL-AGIUHOORSA-N 300.366 -0.155 30 20 DBED C[C@@H](CN(C)c1ccc(C#N)nn1)NC(=O)[C@@H]1CC(=O)N(C)C1 1109295626 LMLOBBOIVIZFMD-WDEREUQCSA-N 316.365 -0.233 30 20 DBED C[C@H](NC(N)=O)C(=O)N(C)CCCNc1cncc(C#N)n1 1109422170 APIFAHNUYAIERO-VIFPVBQESA-N 305.342 -0.335 30 20 DBED C#CCCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCCS(N)(=O)=O 1109657390 NGCQWWJDODPRHK-AGIUHOORSA-N 313.423 -0.200 30 20 DBED C[C@]1(C(=O)NCC2(Nc3ccnc(C#N)n3)CC2)CNC(=O)C1 1110287519 GPDWZKQYVHIVDU-CQSZACIVSA-N 314.349 -0.065 30 20 DBED C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1111040312 FPSYZEVMQZUWPA-NTASLKFISA-N 320.393 -0.227 30 20 DBED C[C@H](C#N)C(=O)N[C@@]1(CO)CCCN(c2cnc(C#N)cn2)C1 1111342904 IHGKFDCMIATTIB-ABAIWWIYSA-N 314.349 -0.045 30 20 DBED CC(=O)N[C@H](C)C(=O)N(CCO)CCNc1ccc(C#N)nc1 1111413963 PNZCRMHXHNGHGF-LLVKDONJSA-N 319.365 -0.289 30 20 DBED N#Cc1nc(=NCCN(CCO)C(=O)C2=COCCC2)cc[nH]1 1111427961 JAGKGPOVERJMNO-UHFFFAOYSA-N 317.349 -0.303 30 20 DBED Cc1nonc1C(=O)N(CCO)CCN=c1cc[nH]cc1C#N 1111487057 UQHAUTVGCKPIJO-UHFFFAOYSA-N 316.321 -0.387 30 20 DBED Cc1cc(=NCCN(CCO)C(=O)c2nc[nH]n2)c(C#N)c[nH]1 1111496634 SCMFAMVDKCHIOH-UHFFFAOYSA-N 315.337 -0.652 30 20 DBED Cn1ncc(CN2C[C@H]3C(NC(=O)CSCC#N)[C@@H]3C2)n1 1113891512 TVQZNHUMZHPRDA-GHMZBOCLSA-N 306.395 -0.382 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)C[C@@](C)(O)C3CC3)[C@@H]2C1 1114149152 PQQZLTRMTYITIK-PBFPGSCMSA-N 319.405 -0.667 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)c3[nH]c(C)nc3C)[C@@H]2C1 1114840598 MBGOLCNYUXEKFO-VXGBXAGGSA-N 315.377 -0.564 30 20 DBED CN(CCOCCNC(=O)c1cn[nH]c1)c1cnc(C#N)cn1 1115177667 GMAHYDGAZXFXLY-UHFFFAOYSA-N 315.337 -0.046 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3[nH]cnc3CC)[C@H]2C1 1115186587 XKGVVDORHQQVEV-YABSGUDNSA-N 317.393 -0.066 30 20 DBED C[C@@H](CN(C)C(=O)[C@@H]1CCC(=O)N1)N=c1cc[nH]cc1C#N 1115787484 CDYFHLANIMTHFC-GWCFXTLKSA-N 301.350 -0.087 30 20 DBED CO[C@H]1CCN(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1 1116227697 QFJLCLRQGFKDFO-AGKQBQDBSA-N 308.338 -0.057 30 20 DBED C[C@@H](C(=O)N1CCCC1)N1CCN(CC(=O)NCCC#N)CC1 1116249120 WSFVUOPSAWFCRP-AWEZNQCLSA-N 321.425 -0.355 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@H]1CC12CCC2 1119161354 FGYBSCYOQUVQOV-JTQLQIEISA-N 300.380 -0.238 30 20 DBED CN1CC[C@H](C(=O)NC[C@H](CO)Nc2ccc(C#N)nc2)C1 1121592258 ZJFPMEFYKACLCR-SMDDNHRTSA-N 303.366 -0.206 30 20 DBED Cc1cc(=N[C@H](CO)CNC(=O)c2ncccn2)c(C#N)c[nH]1 1121905868 IHNBOENDVPOANJ-LBPRGKRZSA-N 312.333 -0.324 30 20 DBED Cc1cc(=N[C@H](CO)CNC(=O)Cc2cnc[nH]2)c(C#N)c[nH]1 1122623130 RXGKRFNYUHSCQR-ZDUSSCGKSA-N 314.349 -0.462 30 20 DBED N#Cc1nccnc1N[C@@H](CO)CNC(=O)C1(F)CCOCC1 1122748573 URKSFZRNQSQJOW-SNVBAGLBSA-N 323.328 -0.244 30 20 DBED Cc1cc(=N[C@H]2C[C@@H](C)N(C(=O)CNC(N)=O)C2)c(C#N)c[nH]1 1123147829 SYRUIMMILPUBIW-PWSUYJOCSA-N 316.365 -0.247 30 20 DBED CCC(=O)NCC(=O)N(C)C[C@H](O)CNc1cncc(C#N)n1 1124184825 KQAXGZDEUFLZSI-LLVKDONJSA-N 320.353 -0.894 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CN(Cc2ccon2)C[C@@H]1n1ccnn1 1128829140 CDWDINCZAJXOGG-UHTWSYAYSA-N 315.337 -0.033 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1ncccc1NC(C)=O 1128963778 DMZRINIQQKFCSV-UHFFFAOYSA-N 319.365 -0.338 30 20 DBED C#CCCN[C@@H]1CN(C(=O)[C@@H](C)NC(C)=O)C[C@@H]1n1ccnn1 1129552893 HPAZKFPAIGZGHE-BNOWGMLFSA-N 318.381 -0.833 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)c1cncnc1O 1130073888 JBZMWLZFUMVDID-UHFFFAOYSA-N 319.365 -0.298 30 20 DBED N#CCNC(=O)CNCCNC(=O)Cn1cc(C2CC2)cn1 1130561421 CASVWMWWYNAVGE-UHFFFAOYSA-N 304.354 -0.894 30 20 DBED C#CCN[C@@H]1CN(C(=O)CCN(C)C)C[C@H]1c1cncn1C 1131061582 GSKBCBLCJXOMLR-ZIAGYGMSSA-N 303.410 -0.111 30 20 DBED CCNC(=O)CC(=O)N1C[C@@H](C)O[C@@]2(CCN(CC#N)C2)C1 1131654243 YPMGMGMCLBLWMQ-IUODEOHRSA-N 308.382 -0.272 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1cn(C(C)C)cn1 1131811986 AHAYDAUKCRUZAW-GFCCVEGCSA-N 305.382 -0.079 30 20 DBED CNC(=O)NC(=O)CN1C[C@H](NC(=O)C#CC2CC2)CC[C@H]1C 1132047446 XKBHFQNOXVBGDL-DGCLKSJQSA-N 320.393 -0.176 30 20 DBED C[C@@H]1CCN(C(=O)C#CC2CC2)C[C@H]1CNCC(=O)NC(N)=O 1132819440 PCSHHICCOWIABW-DGCLKSJQSA-N 320.393 -0.331 30 20 DBED C#CCCN[C@@H](C)C[C@@H](C)NC(=O)CS(=O)(=O)CCOC 1134764475 OEIYLBYZSKTQFS-QWHCGFSZSA-N 318.439 -0.056 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)c1coc(OC)n1 1135092073 HMTWEGXHKIBULM-QWRGUYRKSA-N 322.365 -0.081 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)COc1cccnc1 1135352570 IBHGCIAEDKPCJB-LBPRGKRZSA-N 306.366 -0.143 30 20 DBED CC#CCN[C@H](C)C[C@H](C)NC(=O)CN1C(=O)C(=O)N(C)C1=O 1135594332 ZHIXXRKNPSNCIJ-MNOVXSKESA-N 322.365 -0.697 30 20 DBED C=CCNC(=O)CN1CCCO[C@@H](CNC(=O)CSC)C1 1149103490 FNIAZHZRADYMHZ-LBPRGKRZSA-N 315.439 -0.141 30 20 DBED CC[C@@H]1C[C@H]1C(=O)NC[C@@H]1CN(CC(=O)NCC#N)CCCO1 1150330897 ABLSQDWNVQPMIV-MGPQQGTHSA-N 322.409 -0.121 30 20 DBED C=CCN1CCCO[C@H](CNC(=O)Cn2nc(C)ccc2=O)C1 1150620394 OQIWEBJHMWPLJJ-CQSZACIVSA-N 320.393 -0.055 30 20 DBED CCN(CCC#N)C(=O)CNCCCNC(=O)[C@H]1CCC(=O)N1 1155735414 DFAFZLJAQRWVKC-GFCCVEGCSA-N 323.397 -0.877 30 20 DBED C=CCNC(=O)NC(=O)CNCCCNC(=O)C#CC1CC1 1157704961 FMMIDCRRADUGJZ-UHFFFAOYSA-N 306.366 -0.493 30 20 DBED C#CCOCCC(=O)NCCCNC[C@@H](C)CS(C)(=O)=O 1157845733 ALWRCJBIZJCQMT-CYBMUJFWSA-N 318.439 -0.197 30 20 DBED Cn1nc(C(=O)NCCCNCC(=O)NCC#N)cc1Cl 1162205709 VYEALQCZECSABY-UHFFFAOYSA-N 312.761 -0.577 30 20 DBED COCC1(CNC(=O)[C@H]2COC(=O)N2)CCN(CC#N)CC1 1162241997 LJUVIRKQLTUQJC-LLVKDONJSA-N 310.354 -0.537 30 20 DBED COCC#CCNCCCNC(=O)[C@@H]1CN2CC3CC2(CO1)C3 1162872421 RDJGKKKEWLPMSZ-CKDBGZEDSA-N 321.421 -0.405 30 20 DBED CC[C@@H]1C[C@@H](C(=O)NCCCNCC(=O)NCC#N)CCO1 1170421411 OYNIEWYXGPZEQH-QWHCGFSZSA-N 310.398 -0.073 30 20 DBED COCCS(=O)(=O)CC(=O)N[C@@H](C)CCCCNCC#N 1171547527 UNVYXDFKEKTAHN-LBPRGKRZSA-N 319.427 -0.164 30 20 DBED C[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)CC[C@@H]1CNCC#N 1184682304 CWNCANLPIZDJAW-VXGBXAGGSA-N 306.370 -0.820 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)Cc2cnoc2)C1 1185099546 KSKIJJQMTDPRAW-DGCLKSJQSA-N 304.350 -0.455 30 20 DBED COCC#CCN1C[C@@H]2CCN(C(=O)c3ccc(O)nn3)[C@@H]2C1 1186740978 KKBOSCOHSSILRM-GXTWGEPZSA-N 316.361 -0.022 30 20 DBED C=CCNC(=O)[C@H](C)N(C)[C@@H]1CCN(C(=O)CNC(C)=O)C1 1188692784 CQJNMYXOKMPCAW-WCQYABFASA-N 310.398 -0.654 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2ccnn2C)C1 1189214135 CRHOSUKLONRGPN-GFCCVEGCSA-N 303.366 -0.684 30 20 DBED CN(CC(=O)NCC#N)[C@H]1CCN(C(=O)c2cncn2C)C1 1191169763 GFXVLOBCZYXRIX-NSHDSACASA-N 304.354 -0.794 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(Cc2conc2C)C[C@H]1O 1192529918 IRLYNWLPEYHAHC-NFAWXSAZSA-N 309.366 -0.029 30 20 DBED C=C(C)CN(C)[C@H]1CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)C1 1192687376 FXYLPKKGUIJEDD-STQMWFEESA-N 310.398 -0.525 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2csnn2)C[C@H]1O 1192886004 KIIBQIZHUWPLJI-VXGBXAGGSA-N 310.379 -0.761 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2oncc2C)C1 1193228565 OVIMKPXEOPCWHS-LBPRGKRZSA-N 304.350 -0.121 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)COc2cccc(OC)c2)C1 1196326001 CWKQUTBDIIRVMK-HUUCEWRRSA-N 304.346 -0.132 30 20 DBED C[C@@H]1C[C@@H](C(=O)N2CCCN(CC(=O)NCC#N)CC2)CO1 1196340502 HTKLVQJLEZPXON-CHWSQXEVSA-N 308.382 -0.415 30 20 DBED C=CCC[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)CS(=O)(=O)CC)C1 1199081273 HVLLQTJIMYESGC-JHJVBQTASA-N 318.439 -0.063 30 20 DBED N#CCNC(=O)CNC1CCN(C(=O)CSCC#N)CC1 1199388420 WAMBXQRUAYSSEW-UHFFFAOYSA-N 309.395 -0.536 30 20 DBED C[C@H](CC(=O)N[C@@H]1CN(CC#N)C[C@H]1O)NC(=O)C1CCCC1 1199489697 LTWXYWKZEQGIMU-MRVWCRGKSA-N 322.409 -0.244 30 20 DBED CC#CCNC[C@H]1CN(C(=O)CNC(=O)C2CC2)CCCO1 1199955827 AGYUWMZHAFWNRF-AWEZNQCLSA-N 307.394 -0.257 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)C[C@@H]2COC(=O)C2)CC1 1200071331 ZZESEANHRHHZPC-LBPRGKRZSA-N 321.377 -0.730 30 20 DBED C#CCCNC[C@H]1CN(C(=O)c2cc(=O)n(C)cn2)CCCO1 1200730988 XKYPVMOROUUJRY-ZDUSSCGKSA-N 318.377 -0.376 30 20 DBED C#CCNC[C@H]1CN(C(=O)[C@@H]2CN(CC)CCO2)CCCO1 1202114715 ALMKPVKPUCUGJN-GJZGRUSLSA-N 309.410 -0.453 30 20 DBED C=CCNC(=O)CN[C@H]1C[C@H]2CC[C@H]1N(C(=O)c1cnon1)C2 1204805728 LUMGXFFOMFNRAA-NTZNESFSSA-N 319.365 -0.046 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(CC(=O)N(C)CC)C[C@H]1C 1206887738 ZNXMCAJZIHMUGO-CHWSQXEVSA-N 322.409 -0.959 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@@H](NCc2cnn(C)n2)C1 1207870154 RBGADHLJTMVXOW-GFCCVEGCSA-N 318.381 -0.965 30 20 DBED COCC#CCN[C@@H]1CCCN(C(=O)[C@@H]2CCN(C)C2=O)C1 1209119542 AMRRLSHPGRIHSR-ZIAGYGMSSA-N 307.394 -0.305 30 20 DBED COCC#CCN1C[C@@H](NC(=O)[C@@H]2[C@H]3COC[C@H]32)[C@H](OC)C1 1213297805 SZSMCZKEQIHYSE-KHMAMNHCSA-N 308.378 -0.656 30 20 DBED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)c1nccs1 1213609262 SJEJZNMRKLJTRX-NXEZZACHSA-N 323.378 -0.788 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)C[C@H]2CCC(=O)NC2)C[C@H]1C 1214840322 CGZRGJRISPTCRI-RBSFLKMASA-N 321.421 -0.011 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H]2[C@@H](C1)OCCN2C(=O)C1CC1 1217172575 OLKOBZPRDSGCLE-KWCYVHTRSA-N 305.378 -0.554 30 20 DBED C=CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CN(C)C(=O)C1CC1 1218049316 SOSIUPZFQVQQSO-UONOGXRCSA-N 307.394 -0.048 30 20 DBED CCN(CCC#N)C(=O)CN1C[C@H](O)[C@H](NC(=O)C(F)F)C1 1219079152 QOSPJRIKQSNYNP-ZJUUUORDSA-N 318.324 -0.825 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)Cc2cccnc2)C1 1219465899 RPOQHHBPFJVQOH-CABCVRRESA-N 305.378 -0.012 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(CC(=O)NC(C)(C)C)C[C@@H]1O 1219532127 KEUNOAUQGWKPCO-OLZOCXBDSA-N 309.410 -0.134 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)[C@H](CC)NC(C)=O)C1 1220396064 HLCZGEOXBYXYTM-TUAOUCFPSA-N 303.790 -0.185 30 20 DBED C=CCOCC(=O)N1C[C@H]2CCN(CCN3CCNC3=O)C[C@H]21 1221441918 ZTKRRZGOAVMMGP-ZIAGYGMSSA-N 322.409 -0.253 30 20 DBED CN(C)S(=O)(=O)CCC(=O)N1C[C@H]2CCN(CC#N)C[C@H]21 1222042736 ISIBYCCYARZBDJ-VXGBXAGGSA-N 314.411 -0.676 30 20 DBED N#CCNC(=O)CN1CCC(NC(=O)CC2OCCCO2)CC1 1227031218 YNUCLHCUWWRNSU-UHFFFAOYSA-N 324.381 -0.640 30 20 DBED C#CCCCC(=O)NCC[C@@H]1CN(CCO)CCS1(=O)=O 1230454703 CANFRIMZJNDACM-CYBMUJFWSA-N 316.423 -0.613 30 20 DBED CN(C[C@@H]1CCN1CC(=O)NCC#N)C(=O)c1cccnc1 1230583310 HVWLZACMGITVSF-ZDUSSCGKSA-N 301.350 -0.132 30 20 DBED C#CCNC(=O)CCNC[C@@H]1CCCC[C@@H]1NS(C)(=O)=O 1262573757 CGHJEJPBWSEFQO-STQMWFEESA-N 315.439 -0.177 30 20 DBED C=C(C)Cn1c([C@H]2CNC(=O)C2)nnc1N1CCCNC(=O)C1 1263296757 QCVSJJRWLMHOOM-LLVKDONJSA-N 318.381 -0.216 30 20 DBED Cc1ncn(C)c1C(=O)NCC[C@H](C)NCC(=O)NCC#N 1317400446 ZUPYJWILGAVHOS-JTQLQIEISA-N 306.370 -0.534 30 20 DBED CN1C[C@H](NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1=O 1319336250 RDRSNAAZXSAWNX-MMZVIXLHSA-N 321.337 -0.957 30 20 DBED N#CCCCS(=O)(=O)NC(=O)c1ccc2nnc(O)n2c1 1319831875 NFIMHZFYJGYTBN-UHFFFAOYSA-N 309.307 -0.202 30 20 DBED N#CCNC(=O)CNC(=O)N1CCN(C2CCOCC2)CC1 1323100305 AIVCFAOONFTTOV-UHFFFAOYSA-N 309.370 -0.868 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CC[C@@H]1C(C)C 1323710549 CWBBUMXSDWZZAO-LLVKDONJSA-N 302.396 -0.040 30 20 DBED C#C[C@H](NC(=O)C(=O)N1C[C@H](C)[C@](C)(CO)C1)[C@@H]1CCCO1 1329030053 MIWXIHUTFCEBJP-QCQGSNGOSA-N 308.378 -0.240 30 20 DBED N#CC[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2CC[C@H](C(N)=O)O2)C1 1329030575 AKLOHIFAQPJUHD-QJPTWQEYSA-N 322.365 -0.712 30 20 DBED CCONC(=O)CNC(=O)C(=O)NCCc1ccc(C#N)cc1 1330647314 YWXGUIFTPMUNHM-UHFFFAOYSA-N 318.333 -0.599 30 20 DBED C=CCC1(O)CCN(C(=O)C(=O)N2CCO[C@@H](CN)C2)CC1 1331705102 CZPVMNBMAVPHCI-LBPRGKRZSA-N 311.382 -0.898 30 20 DBED CCOC(=O)CCNC(=O)C(=O)Nc1ccn(CCC#N)n1 1331840441 KYXGZRBUUMGGGL-UHFFFAOYSA-N 307.310 -0.195 30 20 DBED N#C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)C1 1333192074 ADSDOARUHISKCU-WDEREUQCSA-N 304.350 -0.372 30 20 DBED CO[C@@H]1CCN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1 1335488883 BGFGEFVMXAVUEU-QWHCGFSZSA-N 306.366 -0.568 30 20 DBED C=CCn1c(-c2[nH]nnc2C)nnc1N1CCN(C)C(=O)C1 1338893039 QLKVOFFWIDCTLV-UHFFFAOYSA-N 302.342 -0.164 30 20 DBED O=C1C=CC=N/C1=C(\O)NCCN1C(=O)[C@H]2CCCN2C1=O 1339747664 PFVBIFOLONSMJL-NPAAXYOMSA-N 304.306 -0.061 30 20 DBED CN1CC[C@@H](C(=O)N=C2NS(=O)(=O)c3ccccc32)C1=O 1342913700 BGUBWWMFAWHCGV-VIFPVBQESA-N 307.331 -0.270 30 20 DBED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1cnn(CCOC)c1 1344552654 NHGIDOUFDHKHBE-GFCCVEGCSA-N 308.338 -0.642 30 20 DBED Cc1cc(NC(=O)C(=O)N2CCC(C(N)=O)CC2)ncc1C#N 1346453032 MPRBYZBOSSPCQN-UHFFFAOYSA-N 315.333 -0.076 30 20 DBED Cc1cc(NC(=O)C(=O)NCCC(=O)N(C)C)ncc1C#N 1349788231 WRRMYPZBBOZAPA-UHFFFAOYSA-N 303.322 -0.205 30 20 DBED C=CCn1c(C(N)=O)nnc1N1CC[C@H](CN2CCOCC2)C1 1351616690 SIRKLXZOUUCDRY-GFCCVEGCSA-N 320.397 -0.279 30 20 DBED C=C(C)CN(C)c1nnc(CCN(C)S(N)(=O)=O)n1CC 1352495087 NZPSHIGAECZXHH-UHFFFAOYSA-N 316.431 -0.012 30 20 DBED C#CCOCCn1nnnc1N1CCS(=O)(=O)C[C@@H](C)C1 1355799763 FSWVIMQTYQIKQL-NSHDSACASA-N 313.383 -0.806 30 20 DBED COCCn1nc(C(=O)N2CC[C@](O)(CC#N)C2)ccc1=O 1362594682 FUVMIPVUQSOBAJ-CQSZACIVSA-N 306.322 -0.620 30 20 DBED Cn1c(=O)[nH]c(N[C@@H]2CCCN(CCCO)C2)c(C#N)c1=O 1363156962 KQHIDXGJGGRFAG-SNVBAGLBSA-N 307.354 -0.796 30 20 DBED N#Cc1ccc(N2C[C@@H](C(=O)N3CC(C(N)=O)C3)CC2=O)cc1 1363285748 STMHPNACCATIGH-NSHDSACASA-N 312.329 -0.145 30 20 DBED C=C(Cl)CNC[C@H]1CN(C(=O)CNC(=O)OC)CCO1 1376846684 ZHQQKMRFNBITIL-JTQLQIEISA-N 305.762 -0.088 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]1CN(C)C(=O)CCS(C)(=O)=O 1384896819 SJLCVNNMGYFIMJ-WDEREUQCSA-N 315.395 -0.360 30 20 DBED CCCN(CCNC(=O)CCn1cnnn1)C(=O)[C@@H](C)C#N 1387448960 VVJANPBHLKMYLO-NSHDSACASA-N 307.358 -0.422 30 20 DBED COc1nn(C)cc1C(=O)N1CC[C@@H](NC(=O)[C@@H](C)C#N)C1 1396761459 LOTLXKIQHJZAMR-VHSXEESVSA-N 305.338 -0.081 30 20 DBED CCn1nc(C(=O)N[C@@H](C)CNC(=O)[C@H](C)C#N)ccc1=O 1397581272 UPHCAKRGXCFLDI-ZJUUUORDSA-N 305.338 -0.343 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCN(C)C(=O)[C@@H](C)NS(C)(=O)=O 1410009826 STGVSDIQKBIAGA-VHSXEESVSA-N 318.399 -0.999 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)Cn1cc(C2CC2)cn1 1410143190 SEFBYVCQHMDTRX-GXFFZTMASA-N 319.365 -0.487 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1)N(C)C(=O)c1ccc(C#N)[nH]1 1450030185 DSRDDWMAYKHNRU-ONGXEEELSA-N 317.349 -0.258 30 20 DBED N#C[C@@H]1CNCC12CC(C(=O)N1CCC(OCC(N)=O)CC1)C2 1580041547 CGHCYUOCQPJUSX-BWBHSNQOSA-N 320.393 -0.381 30 20 DBED Cn1cnnc1[C@H]1CCN(c2cnc(C#N)c(-c3nn[nH]n3)n2)C1 1581818820 LGXRXANOYFECMB-QMMMGPOBSA-N 323.324 -0.349 30 20 DBED N#Cc1cccc(-c2nn[nH]n2)c1NC[C@@H]1CC(C(N)=O)=NO1 1592699514 CLZUWZSEOKNCRH-QMMMGPOBSA-N 312.293 -0.220 30 20 DBED Cn1ncc(C(=O)O)c1NC(=O)C(=O)NCC1(CC#N)CC1 1601022578 DSFDWJDEZSOARD-UHFFFAOYSA-N 305.294 -0.133 30 20 DBED C#C[C@H](CO)NS(=O)(=O)c1cc(-c2nn[nH]n2)ccc1C 1602689549 SJGQZNVCUIXLNO-SNVBAGLBSA-N 307.335 -0.552 30 20 DBED C#CC[C@@H](NS(=O)(=O)c1cccnc1C(=O)O)C(=O)OC 1602698603 MXOMTOUKMDWCJR-MRVPVSSYSA-N 312.303 -0.377 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CCN(c2ccc(-c3nn[nH]n3)nn2)C1 1602984521 XPFDQUNOOGEZMW-BDAKNGLRSA-N 313.325 -0.489 30 20 DBED C[C@@H](NC(=O)CN1CCC(C#N)(C(=O)O)CC1)C(=O)N(C)C 1604274649 GPYWSFVWHQFDRB-SNVBAGLBSA-N 310.354 -0.730 30 20 DBED N#Cc1csc(CNC(=O)N2C[C@@H](O)C[C@@H](C(=O)O)C2)n1 1608222847 YBTAWVJNACPQDT-APPZFPTMSA-N 310.335 -0.008 30 20 DBED C#CCCNC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)cc1OC 1609020429 DNYKWENJENGENF-UHFFFAOYSA-N 314.305 -0.047 30 20 DBED COC(=O)NC1CCN(C(=O)NCCn2cnc(C#N)n2)CC1 1649883967 BVDVWCSQEJSVFR-UHFFFAOYSA-N 321.341 -0.320 30 20 DBED C#CCCN1CCN(CCCNC(=O)CN2CCCC2=O)CC1 1752334661 NUNCRZASAVZTFD-UHFFFAOYSA-N 320.437 -0.244 30 20 DBED C=CCNC(=O)NC(=O)CN1CCC[C@H]1CNC(=O)[C@@H](C)C#N 1753097267 MSROQHDBWWEHNC-RYUDHWBXSA-N 321.381 -0.262 30 20 DBED C=CCNC(=O)CN1CCC[C@@H]1CNC(=O)c1[nH]c(O)nc1C 1753104644 VLTCKOLYIGSMKI-LLVKDONJSA-N 321.381 -0.080 30 20 DBED COCC#CCNC[C@@H](C)N(C)C(=O)[C@H]1CCc2nncn2C1 1753729143 HJQAOZMOCBUPLM-KGLIPLIRSA-N 319.409 -0.073 30 20 DBED N#CCNC(=O)CNC[C@H]1CCC[C@H]1NC(=O)c1cnon1 1753900469 YFDBDFYCEBEEQB-NXEZZACHSA-N 306.326 -0.803 30 20 DBED C=CCNC(=O)[C@H](C)NC[C@H](O)CNC(=O)c1cncc(F)c1 1753908944 PQPNMKBLJYUQAJ-GWCFXTLKSA-N 324.356 -0.408 30 20 DBED C#CCNC(=O)CNC/C=C\CNC(=O)c1c[nH]c(C)cc1=O 1754191326 WMQFCUSVONLSII-PLNGDYQASA-N 316.361 -0.692 30 20 DBED C=CCNC(=O)CN1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1c(C)cnn1C 1754426838 FZVNSABSSILZJE-MBNYWOFBSA-N 317.393 -0.167 30 20 DBED C=CCNC(=O)[C@@H](C)NC1(CNC(=O)c2cn(C)nn2)CC1 1754513308 OLERBHVQOMZJCN-SNVBAGLBSA-N 306.370 -0.642 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC(N(C)C(=O)[C@H](C)OCC#C)C1 1754575043 MQIRALVZFPMNRG-OLZOCXBDSA-N 305.378 -0.695 30 20 DBED C#CCN(C(=O)c1cc(=O)n(C)cn1)C1CCN(CCO)CC1 1754638526 BCKMBWFQZIYGMD-UHFFFAOYSA-N 318.377 -0.688 30 20 DBED CC(C)CNC(=O)CN1CC[C@@](O)(CNC(=O)C#CC2CC2)C1 1754749468 VYDREHOLUPSFGN-QGZVFWFLSA-N 321.421 -0.275 30 20 DBED C=CCNC[C@@H]1CN(C(=O)CN2CCN(C)C(=O)C2)C[C@@H]1C 1754818303 IPJSRALMAWXFRG-UONOGXRCSA-N 308.426 -0.370 30 20 DBED CC#CCN1CCC[C@](CO)(NC(=O)Cn2ccccc2=O)C1 1754860672 HKJCWWYGALMIKU-KRWDZBQOSA-N 317.389 -0.185 30 20 DBED C=C(Cl)CNCCN(CCO)C(=O)c1ccc2nnnn2c1 1754887675 PQXPUWAEYVKOGG-UHFFFAOYSA-N 324.772 -0.099 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCOC2(CCN(CCO)CC2)C1 1755171203 MRKVNBJDVZHCIS-AWEZNQCLSA-N 310.394 -0.290 30 20 DBED C#CCN1CCC(CO)(NC(=O)c2cccc(=O)n2C)CC1 1755179831 MNPIFSBOAQXGDH-UHFFFAOYSA-N 303.362 -0.425 30 20 DBED C=CCNC(=O)CN[C@H](C)[C@H](C)NC(=O)Cn1cc(C)cn1 1755226540 BUBXAQQCZFWDKX-OLZOCXBDSA-N 307.398 -0.023 30 20 DBED Cc1cc(C(=O)N[C@H](C)[C@H](C)NCC(=O)NCC#N)cnn1 1755234659 SFIVRTAZRGPYKA-WDEREUQCSA-N 304.354 -0.479 30 20 DBED C#CCNC(=O)CN(C)[C@H](C)CNC(=O)[C@H]1CCCOCC1 1755297388 AAOGTVXFVDDFCA-KGLIPLIRSA-N 309.410 -0.011 30 20 DBED C=CCN[C@@H](C)[C@@H]1CN(C(=O)c2cc(=O)n(C)cn2)CCO1 1755442846 XIWOIMSHWJLMCS-AAEUAGOBSA-N 306.366 -0.215 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@H](O)CN(C)C(=O)c1cccs1 1755771445 LZVYHGIJVBKOIS-RYUDHWBXSA-N 323.418 -0.092 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H](CO)CNC(=O)c1ncccc1C 1756511327 YNWOJYOFDVLRIT-STQMWFEESA-N 319.361 -0.365 30 20 DBED CN(CCNS(C)(=O)=O)CC(=O)Nc1cccc(C#N)c1 1771626664 OGPPECLOTDKSSX-UHFFFAOYSA-N 310.379 -0.022 30 20 DBED C=C1CC(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN)C[C@@H]32)C1 1783460593 PTLMUQCFMGIEET-UBHSHLNASA-N 307.394 -0.109 30 20 DBED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCCNC)[C@H]2C1 1786854657 GWXMMZLKMBDPIP-IHRRRGAJSA-N 307.394 -0.401 30 20 DBED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@]3(C)CCCN3)[C@H]2C1 1789827084 UIAWPJMEJXNYIH-AYMQEEERSA-N 319.405 -0.259 30 20 DBED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(=O)CC)CCO2 1839831665 JGMFLLMHVHHBNF-OAHLLOKOSA-N 308.334 -0.945 30 20 DBED C#CC(=O)N1CCCC12CN(C(=O)C(C)(C)CNC(C)=O)C2 1845957971 GPRLAZLUIYDNJO-UHFFFAOYSA-N 305.378 -0.015 30 20 DBED COC(=O)NCC(=O)N1CC2(CCCN2C(=O)[C@@H](C)S)C1 1846371220 IGWACBHCYKMKIM-SECBINFHSA-N 315.395 -0.136 30 20 DBED C#Cc1cccc(NC(=O)CNC(=O)[C@@H](C)NS(C)(=O)=O)c1 54098945 FSXDISXSRPVNTK-SNVBAGLBSA-N 323.374 -0.340 30 20 DBED C/N=C(\NCCNS(C)(=O)=O)N[C@@H]1C[C@](C)(OC)C1(C)C 85709072 QLKDMHKFSSTWCT-MFKMUULPSA-N 320.459 -0.096 30 20 DBED C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N(C)[C@@H](C)CC#N 87298524 YWRAZNYQYVAQKR-UWVGGRQHSA-N 313.383 -0.153 30 20 DBED C=CCN(C)S(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C 119070195 SOEPSQQSEDQPME-UHFFFAOYSA-N 310.335 -0.572 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 162735506 IOHXGMPWBCHGNY-KBPBESRZSA-N 306.410 -0.637 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCS[C@H](C)C2)C1=O 264106539 INVUBGPAKIHXSY-SECBINFHSA-N 311.363 -0.073 30 20 DBED C#CCOc1cccc(NC(=O)C(=O)NC[C@@]2(O)CCOC2)c1 270029671 BQWMJXGXKMRSMB-INIZCTEOSA-N 318.329 -0.095 30 20 DBED N#Cc1cncc(S(=O)(=O)NC[C@H](CO)[C@@H]2CCOC2)c1 290129133 LNGUVEIDKPNILS-VXGBXAGGSA-N 311.363 -0.123 30 20 DBED CCC(=O)N1CC[C@@H](N/C(O)=N/CC(=O)N2CCOCC2)C1 329236605 OJVRBWVGDLPBLX-LLVKDONJSA-N 312.370 -0.640 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H]1CCc2ncnn2C1 330396948 SCKZZAZLPUAVNU-GHMZBOCLSA-N 312.399 -0.091 30 20 DBED CCOC(=O)[C@@H]1CCCN(/C(O)=N/CCS(=O)(=O)NC)C1 331276168 CNUBPUBCEDMAKS-SNVBAGLBSA-N 321.399 -0.275 30 20 DBED COC[C@@H](C)/N=C(/O)NC(=O)CN1CCN(C)C(=O)C1(C)C 331311944 ACUSMAGCNKQSHV-SNVBAGLBSA-N 314.386 -0.396 30 20 DBED COCCN(CCC#N)S(=O)(=O)NCC(F)(F)CO 336941462 JRLLWVJXJATZOQ-UHFFFAOYSA-N 301.315 -0.690 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)OC)CC1 340007416 ZRUCWWKBXZBHEP-NEPJUHHUSA-N 309.366 -0.758 30 20 DBED CN(CCC#N)S(=O)(=O)NCCCN1CCC[C@@H]1C(N)=O 341217901 JBSKZWOWOTVWLG-LLVKDONJSA-N 317.415 -0.994 30 20 DBED CCN(CCC#N)S(=O)(=O)N1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 352645788 NLCJBMQSTLOZEG-WDEREUQCSA-N 321.424 -0.414 30 20 DBED C=CCOC[C@H](NC(=O)c1cnc(COC)nc1N)C(=O)OC 357668338 HPQVKFQNJRNSMS-JTQLQIEISA-N 324.337 -0.321 30 20 DBED N#Cc1ncn(CC(=O)N2CCNC(=O)[C@H]2c2ccccc2)n1 426422245 UFKFNTUTVYRLKR-CQSZACIVSA-N 310.317 -0.151 30 20 DBED N#Cc1ccc(C(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)cc1O 442644240 DOXIGLUGZOPSDQ-JTQLQIEISA-N 300.274 -0.360 30 20 DBED CO[C@H]1CN(C(=O)C(=O)Nc2ccn(CCC#N)n2)C[C@H]1OC 488647836 QKBHGAVSEYKTGN-PHIMTYICSA-N 321.337 -0.393 30 20 DBED C#CCN1CCN(C(=O)CN2CCc3nnc(O)cc3C2)CC1 491023330 XCGTURXRTZUCAJ-UHFFFAOYSA-N 315.377 -0.682 30 20 DBED C#CCNC(=O)C1CCN(C[C@H](O)CO[C@H](C)COC)CC1 491106690 YTVBNJSERLRVBK-HIFRSBDPSA-N 312.410 -0.140 30 20 DBED C#CCNC(=O)CCN1CCC[C@@H](CNS(C)(=O)=O)C1 491200534 AMIAPWSMVBHPBP-LBPRGKRZSA-N 301.412 -0.613 30 20 DBED C#CCN1CCN(C(=O)CSc2nnc(CCC)n2N)CC1 491351181 SGFLHEYORIKIJU-UHFFFAOYSA-N 322.438 -0.186 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@@H](CC(C)C)C(N)=O)CC1 491380853 BDGLHGKNIGIURW-ZDUSSCGKSA-N 322.409 -0.972 30 20 DBED CCn1cc(S(=O)(=O)NCC(=O)NCC#N)cc1C(=O)O 505853753 TUPCUWQZJXSNPU-UHFFFAOYSA-N 314.323 -0.876 30 20 DBED N#C[C@H]1CN(S(=O)(=O)NCCOC[C@H]2CCCO2)CCO1 554533814 UARCOVCDHKSVPE-NEPJUHHUSA-N 319.383 -0.759 30 20 DBED C=CCN1CCC(NC(=O)C(=O)N2CCN(C)C(=O)C2)CC1 563349444 IXTMGDHUULXACT-UHFFFAOYSA-N 308.382 -0.946 30 20 DBED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)NCCN1CCCC1=O 565784495 WOLPRJYFKGOKSB-TZMCWYRMSA-N 323.393 -0.178 30 20 DBED C=C(C)CN1CCC(NC(=O)C(=O)N2CCN(C)C(=O)C2)CC1 568162336 VDHRBFJMWKBDKP-UHFFFAOYSA-N 322.409 -0.556 30 20 DBED COCCCCCNC(=O)C(=O)N1CCN(CCC#N)CC1 602238131 MQSPXLLIXJBNFJ-UHFFFAOYSA-N 310.398 -0.023 30 20 DBED C=CCCn1cc(C(=O)NC2CC(NS(C)(=O)=O)C2)nn1 644716043 DWBANNCCFVACOM-UHFFFAOYSA-N 313.383 -0.336 30 20 DBED COC(=O)N1CCC[C@H](NS(=O)(=O)N(C)CCC#N)C1 726599243 MFIMBWFHNYVHLR-JTQLQIEISA-N 304.372 -0.103 30 20 DBED COC(=O)N1CCC[C@@H](NS(=O)(=O)N(C)CCC#N)C1 726599246 MFIMBWFHNYVHLR-SNVBAGLBSA-N 304.372 -0.103 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCC[C@H](S(=O)(=O)NC)C1 733276858 CJBZXJPUNILRPL-STQMWFEESA-N 313.423 -0.376 30 20 DBED CC(C)(NS(C)(=O)=O)C(=O)OCCn1ncc(C#N)c1N 751839331 KYOPHQLWZSIIBO-UHFFFAOYSA-N 315.355 -0.792 30 20 DBED N#Cc1cc(S(N)(=O)=O)ccc1N1CC[C@H](NC(N)=O)C1 762577859 UKSNGUBQZHJRJL-VIFPVBQESA-N 309.351 -0.547 30 20 DBED C#CCOCCOC(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 762712783 ZBQAMYNRSBEISR-OXHZDVMGSA-N 321.329 -0.268 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1cccc(C(N)=O)n1 781723805 XNAMLPFUZBHUEM-QMMMGPOBSA-N 320.305 -0.262 30 20 DBED C=CCS(=O)(=O)CCNC(=O)NCCOC[C@H]1CCOC1 783003052 MXSHOBMPBPHREG-LBPRGKRZSA-N 320.411 -0.061 30 20 DBED C#CCOCCNC(=O)C(=O)Nc1ccc(S(C)(=O)=O)cc1 785157580 NVJOHBJIMDDRTK-UHFFFAOYSA-N 324.358 -0.205 30 20 DBED C#CCNS(=O)(=O)N1CCN(Cc2cc(C)ccn2)CC1 792264160 KGOZFTGACWAMLX-UHFFFAOYSA-N 308.407 -0.025 30 20 DBED COCCN1C[C@H](C(=O)OCC(=O)NC2(C#N)CCC2)CC1=O 800132110 OCYVSBDFWIHMTD-LLVKDONJSA-N 323.349 -0.413 30 20 DBED C#CCC[C@@H](O)CNC(=O)C(F)(F)C(=O)N1CCOCC1 836208932 GPJBONWGRVGQLQ-SNVBAGLBSA-N 304.293 -0.629 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N1C[C@H](C)O[C@@H](CO)C1 850712984 YZVPSXASKGZHPZ-QWHCGFSZSA-N 312.366 -0.907 30 20 DBED CC(=O)NCC(=O)NS(=O)(=O)Cc1ccc(C#N)cc1F 861013982 CASNGEYIPTVOMZ-UHFFFAOYSA-N 313.310 -0.221 30 20 DBED C#CC[C@@H](CCOC)NC(=O)CN(C)S(=O)(=O)N(C)C 863780584 DHDVVDPKJNWZNS-NSHDSACASA-N 305.400 -0.731 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N1CCNC(=O)CC1(C)C 918086756 KKFXZTWEPUYZDV-SNVBAGLBSA-N 302.400 -0.077 30 20 DBED C[C@H](NS(=O)(=O)N(C)CCC#N)[C@@H]1CN(C)CCN1C 920022445 VPYRCSXJGNUORK-RYUDHWBXSA-N 303.432 -0.699 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@@H](N(C)C(=O)C(N)=O)C2)cn1 938968267 DHDMABPQIPKEMF-GFCCVEGCSA-N 300.318 -0.779 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](N(C)C(=O)c2cnc(O)n2C)C1 939409239 FAEBRLUFDRMGJF-ZJUUUORDSA-N 305.338 -0.042 30 20 DBED CO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)Cn1ccnc1 942548152 QKDCHPCFNCXHGX-ZIAGYGMSSA-N 316.361 -0.362 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H]1CNC(=O)c1ccc(=O)n(C)n1 944251646 WNMHKBNRWWOIEQ-WDEREUQCSA-N 317.349 -0.339 30 20 DBED C[C@@H](C#N)C(=O)N1CC(N(C)C(=O)c2c[nH]c(C(N)=O)c2)C1 954329915 QQQQIBVPTWUNBR-QMMMGPOBSA-N 303.322 -0.444 30 20 DBED C[C@H](C#N)C(=O)N1CC(N(C)C(=O)c2ccc(C(N)=O)cn2)C1 954662587 KLLICPTWEVYYJY-SECBINFHSA-N 315.333 -0.377 30 20 DBED CN(C(=O)[C@@H]1CCC(=O)N1)C1CN(C(=O)c2cc(C#N)c[nH]2)C1 954915639 XYJJPHZKYVUXGH-NSHDSACASA-N 315.333 -0.552 30 20 DBED O=C1CC[C@@H](C(=O)NC[C@@H]2CCCN2C(=O)C#CC2CC2)N1 956004925 PXFVYCLMHUIKJO-STQMWFEESA-N 303.362 -0.214 30 20 DBED CC#CCN1C[C@H](O)[C@H](CNC(=O)c2ccn(CCOC)n2)C1 958248054 DQIXLIGDKIPMRA-HIFRSBDPSA-N 320.393 -0.425 30 20 DBED C=CCCN1C[C@@H](O)[C@@H](CNC(=O)c2cnc(O)n(C)c2=O)C1 958317580 ZRAOVQFRTVNQPO-CMPLNLGQSA-N 322.365 -0.916 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2c3c(nn2C)CCC3)C1 958587280 HUDJINAMXLKASV-SMDDNHRTSA-N 302.378 -0.436 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CN(C(=O)c3ncc[nH]3)CCO2)C1 965376062 FAKQAFSHCZZCHK-SNVBAGLBSA-N 303.322 -0.377 30 20 DBED C=CCN1CC[C@H](C)[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 966169452 UWKPPXNFHSQNDZ-QWRGUYRKSA-N 306.370 -0.610 30 20 DBED C[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)c1c[nH]c(=O)cn1 966415355 VMRPXVWJVIAGOU-GXFFZTMASA-N 314.345 -0.240 30 20 DBED C=C1CC(C)(C(=O)N2C[C@H](O)[C@H](NC(=O)Cn3ccnc3)C2)C1 968461950 UKYYZASURIYMEM-OLZOCXBDSA-N 318.377 -0.073 30 20 DBED CC#CCN1CC([C@H](C)NC(=O)C2CC3(C2)NC(=O)NC3=O)C1 970574268 HLARDPBAEMBDON-SGWRBKMISA-N 318.377 -0.566 30 20 DBED C=CCN1CC[C@H](N(C)[C@@H]2CCN(C(=O)CC(N)=O)C2)C1=O 971238072 CSVSCUQRJIYICA-NEPJUHHUSA-N 308.382 -0.819 30 20 DBED C=CCN1CC[C@@H](N(C)[C@@H]2CCN(C(=O)CC(N)=O)C2)C1=O 971238082 CSVSCUQRJIYICA-VXGBXAGGSA-N 308.382 -0.819 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@]3(CN(CCO)CCO3)C2)[nH]1 972337752 AGYLITZTAACIGF-HNNXBMFYSA-N 304.350 -0.204 30 20 DBED C=CCN1CCO[C@@]2(CCN(C(=O)c3cc(=O)n(C)cn3)C2)C1 972416875 LHIARHIILLDNHT-INIZCTEOSA-N 318.377 -0.117 30 20 DBED CN1CCOC[C@H]1C(=O)N[C@H]1[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]21 976393066 OASVQURMTJSUQY-KNCOVGOOSA-N 317.389 -0.697 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)c3cn(C)c(O)n3)[C@H]2C1 977127165 STIXBFLERACOCJ-WYOJIJJFSA-N 303.322 -0.528 30 20 DBED C#CCN1C[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)C(C)(C)C1 977473455 XINHNLIBUQKXBN-LLVKDONJSA-N 306.366 -0.660 30 20 DBED C#CCN1C[C@H]2C(CNC(=O)C3CCS(=O)(=O)CC3)[C@@H]2C1 978824101 LASSRXRNPDJWQH-KBPBESRZSA-N 310.419 -0.262 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](CNC(=O)c2ccc(O)nn2)C1 983212431 FOZAXMFKLNESEY-NXEZZACHSA-N 303.322 -0.080 30 20 DBED C=CC(C)(C)C(=O)N1CC(NC(=O)CN2CCN(C)C(=O)C2)C1 994680824 SPRZOWXOIKBOQU-UHFFFAOYSA-N 322.409 -0.700 30 20 DBED C#Cc1ccc(C(=O)N2CC(NC(=O)c3cnn(C)n3)C2)nc1 995692827 DQFXLJFXCKEAAX-UHFFFAOYSA-N 310.317 -0.554 30 20 DBED N#CCNC1CCN(C(=O)c2ccc(S(N)(=O)=O)o2)CC1 996770755 OCPVBCBJYXQGQY-UHFFFAOYSA-N 312.351 -0.355 30 20 DBED C=CCN1CC[C@@H](NCC2CCN(C(=O)CC(N)=O)CC2)C1=O 997627196 PAUWRPGZNLCPDG-CYBMUJFWSA-N 322.409 -0.523 30 20 DBED Cn1[nH]c(CN[C@@H]2CCCN(C(=O)C#CC3CC3)C2)nc1=O 999125599 AAZRLCQEPCBPJW-GFCCVEGCSA-N 303.366 -0.398 30 20 DBED COCCN1C[C@H](C(=O)N2CCC[C@@H](NCC#N)C2)CC1=O 999297494 HTWRWMOOZNVNMS-CHWSQXEVSA-N 308.382 -0.415 30 20 DBED C#CCN1CC[C@H](n2cc(CNC(=O)c3cnn(C)n3)nn2)C1 1000026743 BWMGUPAMKFDGFR-LBPRGKRZSA-N 314.353 -0.783 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NCC1CN(C(=O)CC(N)=O)C1 1002216474 PJBYKOQMHNEURS-NEPJUHHUSA-N 309.366 -0.582 30 20 DBED C[C@H](C#N)C(=O)N1CC(CNC(=O)[C@H]2CCc3nncn3C2)C1 1002469426 INXUCJAKZVREFZ-PWSUYJOCSA-N 316.365 -0.425 30 20 DBED CCn1ncc(C(=O)N2CCN(C(=O)C#CC3CC3)CC2)n1 1011089751 ZWYZTDORPGQSAI-UHFFFAOYSA-N 301.350 -0.004 30 20 DBED COCCn1ccc(C(=O)N2CCN(C(=O)[C@@H](C)C#N)CC2)n1 1011756281 JMZPWXKIJZQOPX-LBPRGKRZSA-N 319.365 -0.026 30 20 DBED C=CCN1CC[C@H](N2CC[C@H](NC(=O)c3[nH]nnc3C)C2)C1=O 1015478789 FFFHLOCUOSNJOW-RYUDHWBXSA-N 318.381 -0.296 30 20 DBED C#CCCN1CC[C@H](NC(=O)[C@@H]2CCc3nnnn3CC2)C1 1015731133 KFDSAWVXOKZWAA-OLZOCXBDSA-N 302.382 -0.161 30 20 DBED O=C1NCC[C@@H]1C(=O)NCC1=CCN(C(=O)C#CC2CC2)CC1 1017615707 OLJNXIJJSPKCNO-AWEZNQCLSA-N 315.373 -0.189 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](NCc2nnn(C)n2)C1 1019405369 DKONAFBGRGBJMW-TUAOUCFPSA-N 306.370 -0.508 30 20 DBED N#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2cnnc2O)C1 1021566269 IBIYIAUYDSBDOJ-NWDGAFQWSA-N 304.354 -0.180 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCCN(CC(=O)NC)C1 1023423707 DNSVDZWGHUXHJB-CABCVRRESA-N 320.437 -0.342 30 20 DBED C=C(C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2nc[nH]n2)C1 1025105410 FPUYPECKUMKHGG-NXEZZACHSA-N 307.354 -0.292 30 20 DBED C#CCN1CCC(C(=O)N2C[C@@H]3C[C@H]2CN3C[C@H](C)O)CC1 1032800467 KCXPNPLLSBPPMW-BPUTZDHNSA-N 305.422 -0.003 30 20 DBED N#CCN1CCO[C@H](CNC(=O)c2ccnc3ccnn23)C1 1035391126 DUIQIATXTUADDK-LLVKDONJSA-N 300.322 -0.317 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)[C@H]2CCc3nccn3C2)C1 1035418070 AFDNOHQDFMCIDC-KBPBESRZSA-N 302.378 -0.104 30 20 DBED C=C(C)CN1CCO[C@@H](CNC(=O)c2cn(C)c(=O)cn2)C1 1035450293 PZACTVNVARGSES-LBPRGKRZSA-N 306.366 -0.213 30 20 DBED Cc1ccn2ncc(C(=O)NC[C@H]3CN(CC#N)CCO3)c2n1 1035579730 CDTCYVUMVKUQBS-LBPRGKRZSA-N 314.349 -0.008 30 20 DBED C=CCCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)Cn1ccc(O)nc1=O 1037493782 RUHMXYUNQVNUIV-UHIISALHSA-N 304.350 -0.286 30 20 DBED C#CCOc1ncccc1C(=O)N[C@H]1[C@H]2C[C@H]1N(CCO)C2 1037684865 YWRJDABCCYMJMD-YUTCNCBUSA-N 301.346 -0.112 30 20 DBED C#CCN[C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C[C@H]1CC 1037894092 XFMBKBBWMFYGQI-ZIAGYGMSSA-N 306.410 -0.732 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@@](O)(CNC(=O)c2cc[nH]c2)C1 1040090851 UDZKYSFZULSETA-MLGOLLRUSA-N 319.361 -0.254 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)C2(N(C)C)CCC2)C1 1040114517 NELAFTJKCNCEEE-WFASDCNBSA-N 322.409 -0.290 30 20 DBED CC(C)C#CC(=O)N1CC[C@](O)(CNC(=O)CCCC(N)=O)C1 1040211966 LQKVKUYYULFVGX-INIZCTEOSA-N 323.393 -0.619 30 20 DBED CC(C)C#CC(=O)N1CC[C@](O)(CNC(=O)c2ncccn2)C1 1040673197 LDDQTJYJXLXPQD-INIZCTEOSA-N 316.361 -0.171 30 20 DBED C[C@@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)Cc2ccnn2C)C1 1040760108 FNTIXQBUFDIMQY-XHDPSFHLSA-N 319.365 -0.798 30 20 DBED C[C@@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)c2cncs2)C1 1040762859 MFKKMSFLXSZBFF-TVQRCGJNSA-N 308.363 -0.004 30 20 DBED N#Cc1cncc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCOC3)C2)n1 1040945700 VKRBYDBQQZBTDA-CYZMBNFOSA-N 317.349 -0.559 30 20 DBED Cn1cc(C(=O)NCC2(O)CN(C(=O)C#CC(C)(C)C)C2)cn1 1041413058 RBKFZMNMOQNQRG-UHFFFAOYSA-N 318.377 -0.227 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)[C@H](C)OCC)C1 1041634013 AXAORDBHXNIROY-RYUDHWBXSA-N 314.382 -0.308 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)CN2CC[C@H](C)C2)C1 1041963516 RFYMEAZZPKJFGM-ZDUSSCGKSA-N 309.410 -0.016 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@H]3CCN(CC(N)=O)[C@@H]3C2)[nH]1 1042015164 DBIQTHJOXNQQER-ZWNOBZJWSA-N 301.350 -0.092 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)CCSC)C1 1042035771 RZUXSNVNEXTEIJ-UHFFFAOYSA-N 302.396 -0.368 30 20 DBED C=CCN1CC[C@H]2CCN(C(=O)CN3CC(=O)NC3=O)C[C@@H]21 1042271622 DACKZGFQRVCFRD-RYUDHWBXSA-N 306.366 -0.353 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)[C@@H](C)OCC=C)C1 1043041765 KEZSMANLSWMKHA-QWHCGFSZSA-N 324.377 -0.695 30 20 DBED CCN(CC)CC(=O)NCC1(O)CN(C(=O)C#CC(C)C)C1 1043158245 UVIGRUVSGWBFLZ-UHFFFAOYSA-N 309.410 -0.323 30 20 DBED C=CC(C)(C)CC(=O)NCC1(O)CN(C(=O)CC(=O)NC)C1 1043206052 SBYYLBPTZQYBNS-UHFFFAOYSA-N 311.382 -0.586 30 20 DBED Cc1nc[nH]c1CC(=O)NCC1(O)CN(C(=O)[C@@H](C)C#N)C1 1044319574 KHGOFLAAENGORF-VIFPVBQESA-N 305.338 -0.890 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)C[C@@H]2COC(=O)C2)C1 1044456350 SZHYNQHJQIFVBR-NSHDSACASA-N 324.377 -0.159 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)[C@H]2CCC(=O)NC2)C1 1044463455 FHADWOJYOONLSG-NSHDSACASA-N 323.393 -0.586 30 20 DBED C=CCN1CC[C@@](C)(NC(=O)c2cn(CC(=O)N(C)C)nn2)C1 1046853888 GMMALMQXXHMWQS-OAHLLOKOSA-N 320.397 -0.254 30 20 DBED C#CCN1CCC(F)(F)[C@H](CNC(=O)[C@H]2CN(C)C(=O)N2)C1 1046965325 JZTIJONRAMERLH-GHMZBOCLSA-N 314.336 -0.283 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2ccnnc2)C1 1047131343 MROKEKRXXZRXQC-NSHDSACASA-N 320.349 -0.629 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC(=O)N(CC)C2)C1 1047401175 GZKLFCVPKPNMAM-RDBSUJKOSA-N 307.394 -0.618 30 20 DBED C=CCCN1C[C@H]2CN(C(=O)CN3CCNC(=O)C3)C[C@H]2C1 1048977974 SISYYQQZMFNYAL-OKILXGFUSA-N 306.410 -0.616 30 20 DBED C=CCCN1C[C@@H]2CCCN(C(=O)CN3CCNC(=O)C3)[C@@H]2C1 1050110643 SVKHEBJYLDJKLL-LSDHHAIUSA-N 320.437 -0.083 30 20 DBED N#Cc1nc(=NC2CC(CNC(=O)C3=COCCO3)C2)cc[nH]1 1051841232 OPVRZFVYNRWVGP-UHFFFAOYSA-N 315.333 -0.035 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)[C@H]1CN(CC)CCO1)CCO2 1053538310 XYBJQCRCOSACNG-OAHLLOKOSA-N 321.421 -0.356 30 20 DBED Cn1ccc(=O)c(C(=O)N[C@H]2COC3(C2)CN(CC#N)C3)c1 1053867240 FAHXPCRMYMTRBR-LLVKDONJSA-N 302.334 -0.518 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)[C@@H]3CCC(=O)N(C)C3)CO2)C1 1054017747 KSHSVJLHGXVXGC-KGLIPLIRSA-N 319.405 -0.162 30 20 DBED Cn1nccc1CC(=O)N1CCN(c2ccc(C#N)nn2)CC1 1055789235 CXQLXBSKPYVXJO-UHFFFAOYSA-N 311.349 -0.027 30 20 DBED CO[C@@H](C)C(=O)N1CCC[C@@](CO)(NC(=O)C#CC2CC2)C1 1055936622 JSNQWKACEAQHBB-BLLLJJGKSA-N 308.378 -0.096 30 20 DBED N#Cc1ccc(N2C[C@H]3C(NC(=O)[C@H]4COC(=O)N4)[C@@H]3C2)nc1 1056193949 JAFNPHDWHHDAIX-GMTAPVOTSA-N 313.317 -0.388 30 20 DBED N#Cc1nccnc1N[C@@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 1056759520 FGMMEOPXKPLLMI-SECBINFHSA-N 300.322 -0.373 30 20 DBED C=CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)[C@@H](C)COC 1057921486 ITDRTZSRQIEYGM-STQMWFEESA-N 316.398 -0.203 30 20 DBED C=C[C@H](C)[C@@H](C)C(=O)NCCN(CCO)C(=O)c1cnn(C)n1 1058095490 IUSSVZWIPXQFNJ-NWDGAFQWSA-N 323.397 -0.176 30 20 DBED C#CCCCCC(=O)NCCN(CCO)C(=O)[C@@H]1CCNC1=O 1058297050 WUVAVHKGMVECNZ-CYBMUJFWSA-N 323.393 -0.747 30 20 DBED C=CC(C)(C)CC(=O)NCCN(CCO)C(=O)c1nnn(C)n1 1058421653 BRGYBVKPMNSCKE-UHFFFAOYSA-N 324.385 -0.637 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)C1(F)CCOCC1 1058660864 JVMUGFFRGXSIMO-LLVKDONJSA-N 315.345 -0.398 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)c1n[nH]c2c1CCC2 1058662873 AUEAACKKSGPRAW-JTQLQIEISA-N 319.365 -0.391 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)c1ccnnc1 1058937396 XIDFFVPTPNQUGZ-UHFFFAOYSA-N 304.350 -0.169 30 20 DBED N#Cc1nc(=N[C@H]2C[C@@H](NC(=O)Cn3ccccc3=O)C2)cc[nH]1 1059643578 WDDPLJJJVQELPB-TXEJJXNPSA-N 324.344 -0.309 30 20 DBED CCc1nc(C#N)cc(NC[C@@H]2CCN(C(=O)C(N)=O)C2)n1 1060967759 QXFMOJUISPDVED-VIFPVBQESA-N 302.338 -0.344 30 20 DBED N#CCSCC(=O)NC[C@@H]1COCCN1C(=O)c1nc[nH]n1 1061321878 XBNWJLBZJSJMDL-SECBINFHSA-N 324.366 -0.981 30 20 DBED N#CCSCC(=O)NCC1(NC(=O)Cc2nc[nH]n2)CCC1 1062580572 CZVUQBAHFGFWGK-UHFFFAOYSA-N 322.394 -0.241 30 20 DBED Cn1cnc(C(=O)N[C@@H]2[C@H]3C[C@H]2N(c2cnc(C#N)cn2)C3)n1 1064242539 OQDRRCMKUPQEDQ-MKPLZMMCSA-N 310.321 -0.516 30 20 DBED COCC(=O)NCCC(=O)NC1(CNC(=O)[C@H](C)C#N)CCC1 1064310187 GGXQGYLEQCKNJX-LLVKDONJSA-N 324.381 -0.546 30 20 DBED CC[C@H]1CN(C(=O)C(N)=O)CC[C@@H]1N=c1cc[nH]c(C#N)n1 1064413482 WDYGOSPSKAIYFJ-UWVGGRQHSA-N 302.338 -0.706 30 20 DBED CC#CCCCC(=O)NC[C@@H]1CN(C(=O)CNC(C)=O)CCO1 1064783595 GFIADKICLFLQAB-CQSZACIVSA-N 323.393 -0.340 30 20 DBED C=CCO[C@@H](C)C(=O)NC[C@H]1CN(C(=O)c2cnn[nH]2)CCO1 1065328740 XTXPSMDEIOYVRH-QWRGUYRKSA-N 323.353 -0.647 30 20 DBED C=CCCCC(=O)NC[C@H]1CN(C(=O)[C@H]2CCNC2=O)CCO1 1065420285 HSXZXRBZABDWRE-STQMWFEESA-N 323.393 -0.178 30 20 DBED C[C@@H](CC(N)=O)C(=O)N1CCO[C@H](CNC(=O)C#CC2CC2)C1 1065420487 LKLFXJMSXVXJHJ-WCQYABFASA-N 321.377 -0.745 30 20 DBED N#Cc1ccc(N2CCOC[C@H]2CNC(=O)[C@@H]2CCCO2)nn1 1066458083 YECJYBJMQMQDJX-OLZOCXBDSA-N 317.349 -0.151 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@@H](CNC(=O)c3ccc[nH]3)C2)nn1 1067655837 GUEJHUPGEQQSSV-GXFFZTMASA-N 312.333 -0.097 30 20 DBED O=C(C#CC1CC1)N[C@H]1COC2(C1)CN(C(=O)c1cc[nH]n1)C2 1068860921 VFJJNMJZCRDYGN-GFCCVEGCSA-N 314.345 -0.077 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)c2cc[nH]n2)CCOCC1 1070230863 HHAFCXHXYOFITE-JTQLQIEISA-N 305.338 -0.035 30 20 DBED C#CCN[C@@H]1CN(C(=O)Cc2cnoc2)C[C@@H]1n1ccnn1 1070259254 GDVRANWRWAEQQE-OLZOCXBDSA-N 300.322 -0.517 30 20 DBED C#CCN1CCOC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CCOC2)n1 1070581595 DZXJCKUVQRJSMU-VXGBXAGGSA-N 319.365 -0.536 30 20 DBED C=CCN1CCOC[C@@H]1c1n[nH]c(CNC(=O)c2cnon2)n1 1070591819 SDIGSDUMAVKATM-SNVBAGLBSA-N 319.325 -0.323 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)Cc2cc(C)[nH]n2)CC1 1070952740 GBTASVPIOLZSML-UHFFFAOYSA-N 317.393 -0.456 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)Cc2cncnc2)CC1 1070958886 YGSSEEADEUZRRU-UHFFFAOYSA-N 317.393 -0.144 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)c2cnc(OC)nc2)C1 1073841228 FLUKLVOIAKFDQB-ZDUSSCGKSA-N 304.350 -0.061 30 20 DBED N#CCN1CCCO[C@H](CNC(=O)c2cc(C(N)=O)ccn2)C1 1073914753 BQTIVMLRSIPEQO-GFCCVEGCSA-N 317.349 -0.475 30 20 DBED CC(C)C#CC(=O)NCC1(O)CCN(C(=O)c2nc[nH]n2)CC1 1074670176 VIXVBYYDCOILSM-UHFFFAOYSA-N 319.365 -0.453 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H](C)CCNC(=O)CNC(=O)OC 1075766161 XTPLWSNRXOVUQX-WDEREUQCSA-N 315.370 -0.056 30 20 DBED C=CCCC(=O)NCC[C@H](C)NC(=O)[C@@H](C)NS(C)(=O)=O 1075885776 NPTZXVXHIJOUKT-WDEREUQCSA-N 319.427 -0.099 30 20 DBED COC[C@H](C)n1cc(C(=O)N[C@@H]2CN(CC#N)C[C@H]2O)c(C)n1 1076996737 LCOMUJRLWGMYIN-ZLKJLUDKSA-N 321.381 -0.303 30 20 DBED C=CCCOCC(=O)NCC[C@H](C)NC(=O)C1(C(N)=O)CC1 1077063824 FFCRCTQFCPMBKT-NSHDSACASA-N 311.382 -0.144 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)Cc2ccc3c(c2)CCO3)C1 1077477894 RAPNDWWJWLMULI-ZIAGYGMSSA-N 301.346 -0.151 30 20 DBED C[C@@H](CCNC(=O)[C@@H](C)C#N)NC(=O)C(=O)NCC(F)F 1078133184 CEXBLORTPZFGOJ-YUMQZZPRSA-N 304.297 -0.462 30 20 DBED C#CCCN1C[C@@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)[C@H](C)C1 1080723754 QXLNFEVCJINCBY-VXGBXAGGSA-N 320.393 -0.223 30 20 DBED C[C@@H](C#N)C(=O)NC1(CO)CCN(C(=O)c2cnn[nH]2)CC1 1080983284 JSWGYKLZDCLRCM-VIFPVBQESA-N 306.326 -0.952 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)CN2CCCC2=O)C1 1081251407 NYEHGHMGNBHFTH-CHWSQXEVSA-N 323.393 -0.490 30 20 DBED N#CCSCC(=O)NC[C@@H]1CN(C(=O)c2cc[nH]c2)C[C@@H]1O 1081288696 FSHGMZNDWDJQDY-NEPJUHHUSA-N 322.390 -0.179 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)CCCC(N)=O)C[C@@H]1O 1081332019 ABOGTZWUXDDSNG-NEPJUHHUSA-N 311.382 -0.456 30 20 DBED C=C(C)CCC(=O)N1C[C@H](CNC(=O)c2nnn(C)n2)[C@@H](O)C1 1081655814 KXXWUCNXJDKXGU-QWRGUYRKSA-N 322.369 -0.885 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@@H]2CC(=O)N(C(C)C)C2)[C@H](OC)C1 1081756441 HJHIVJIZAYGMDP-MGPQQGTHSA-N 307.394 -0.308 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CN(Cc3cnns3)C[C@@H]2O)c[nH]1 1083418637 SNEWGDWLEUALME-NEPJUHHUSA-N 318.362 -0.287 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)C[C@@H]2CCCCN2C(C)=O)C1 1083854279 KNSVBCXZROJQIE-XHSDSOJGSA-N 321.421 -0.038 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCCCN(C)C2=O)C1 1083947310 OMMNOSWHIZOYRS-MJBXVCDLSA-N 309.410 -0.018 30 20 DBED C#CCN1C[C@H]2CC[C@H]1[C@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]21 1087338328 GXMOSFPEQXWHEH-MQYQWHSLSA-N 310.419 -0.167 30 20 DBED C=CCN1C[C@H](NC(=O)[C@@H]2CNC(=O)N2)CC2(CCOCC2)C1 1089952223 GQYMGCLZENHPJP-OLZOCXBDSA-N 322.409 -0.159 30 20 DBED CCNC(=O)CC(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@H]1O 1090406478 ACODMKXMPXRCSY-VXGBXAGGSA-N 317.349 -0.855 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)c2ccc3nnnn3c2)[C@H](O)C1 1090430090 IVTGRRWCIVMMBH-CHWSQXEVSA-N 316.365 -0.135 30 20 DBED C[C@H](NC(N)=O)C(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1C 1090699313 IPEOCLOVUXMHSI-WCABBAIRSA-N 317.353 -0.654 30 20 DBED CNC(=O)NCC(=O)N1C[C@@H](Nc2cncc(C#N)n2)[C@H](C)C1 1091026708 OULBMPQTJUBREE-MWLCHTKSSA-N 317.353 -0.464 30 20 DBED CCOCC(=O)N[C@@H]1CN(c2nc(C)cc(C#N)n2)C[C@@H]1O 1091070074 YVZSWNKQJCDQNO-NEPJUHHUSA-N 305.338 -0.641 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(c2cc(C)ncn2)C[C@@H]1O 1091093272 VBVHEVZRLSFDQT-XUJVJEKNSA-N 306.366 -0.222 30 20 DBED CSCC(=O)N[C@H]1CCN(c2ccc(C#N)nn2)C[C@@H]1O 1092149560 ZCJLWQMVGOJPTR-QWRGUYRKSA-N 307.379 -0.233 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(c2cnc(C#N)cn2)C[C@@H]1O 1092154599 YKQLJOBSBIONJK-STQMWFEESA-N 317.349 -0.393 30 20 DBED CNC(=O)CCCC(=O)N1CCN(c2cncc(C#N)n2)CC1 1093150690 YSOBCZBWASGYQQ-UHFFFAOYSA-N 316.365 -0.087 30 20 DBED N#Cc1cncc(N2C[C@H]3[C@H](NC(=O)CCc4nc[nH]n4)[C@H]3C2)n1 1093238652 FJEHUUHKBIPOAU-HBYGRHMLSA-N 324.348 -0.350 30 20 DBED CNC(=O)CN1CC(OC2CCN(C(=O)[C@H](C)C#N)CC2)C1 1093517599 SNOBWZMGZGICBB-LLVKDONJSA-N 308.382 -0.416 30 20 DBED C#CCNC(=O)CC(=O)NCCNc1ncc(C#N)cc1F 1093558429 UTRMLCUCJXZDRD-UHFFFAOYSA-N 303.297 -0.240 30 20 DBED N#Cc1nccnc1NCCNC(=O)c1cncc(C(N)=O)c1 1093659709 NLUIMFBQKXHZEW-UHFFFAOYSA-N 311.305 -0.316 30 20 DBED CC(=O)N1CC[C@@H](C(=O)NCCN=c2cc[nH]cc2C#N)C1 1093781866 XORBDRFPIDKFMI-GFCCVEGCSA-N 301.350 -0.228 30 20 DBED COCC(=O)NCCC(=O)NCCNc1nc(C)cc(C#N)n1 1094196355 DQQPJBSHOCKLCZ-UHFFFAOYSA-N 320.353 -0.663 30 20 DBED N#Cc1ccc(NCCNC(=O)c2cnc3[nH]nnc3c2)nn1 1094211868 PLFFXECKZDEIJB-UHFFFAOYSA-N 309.293 -0.144 30 20 DBED CC(=O)N1CC(C(=O)NCCCNc2nccnc2C#N)C1 1094410364 VFDATXFRBCNHFG-UHFFFAOYSA-N 302.338 -0.255 30 20 DBED CNC(=O)NCC(=O)N1CCC(N=c2cc[nH]cc2C#N)CC1 1095250289 NJJYMIOECXRXNL-UHFFFAOYSA-N 316.365 -0.293 30 20 DBED CN(CCCNC(=O)CCn1cnnn1)c1ccnc(C#N)n1 1095619076 IACCTAHONYIGNL-UHFFFAOYSA-N 315.341 -0.632 30 20 DBED CN(CCCNC(=O)[C@@H]1CCCNC1=O)c1cncc(C#N)n1 1095665784 YAGFZIPEFMPMRF-GFCCVEGCSA-N 316.365 -0.183 30 20 DBED CC(=O)N1CC(C(=O)NC[C@@H](C)N=c2cc[nH]c(C#N)n2)C1 1097780505 YJAROZLUXCVVIQ-SECBINFHSA-N 302.338 -0.835 30 20 DBED C[C@H](CNC(=O)CCCCC(N)=O)N=c1cc[nH]c(C#N)n1 1098036975 UGDZXSMIZCBWOD-SNVBAGLBSA-N 304.354 -0.268 30 20 DBED C[C@@H](CNC(=O)C1CS(=O)(=O)C1)Nc1ncccc1C#N 1098070651 BALYTCMLGNLZSV-VIFPVBQESA-N 308.363 -0.086 30 20 DBED C=CCN(CCO)C1CCN(C(=O)Cn2ncn(C)c2=O)CC1 1098413970 WNPWQUNBRDXPQW-UHFFFAOYSA-N 323.397 -0.947 30 20 DBED C#CCCN(CCO)C1CCN(C(=O)[C@@]2(C)CNC(=O)C2)CC1 1098437041 JBVIKGMEKMFSKR-QGZVFWFLSA-N 321.421 -0.179 30 20 DBED C#CCN(CCO)C1CCN(C(=O)c2cn(C)c(=O)n2C)CC1 1098575622 WXWUPDIRASPCHW-UHFFFAOYSA-N 320.393 -0.744 30 20 DBED C[C@H]1CN(C(=O)Cc2nc[nH]n2)CC2(CCN(CC#N)CC2)O1 1098653629 OJSZQSYMFQNCIV-LBPRGKRZSA-N 318.381 -0.047 30 20 DBED C=CCNCc1cn([C@H]2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)nn1 1098728989 XWZVDWQHZGCFQL-XQQFMLRXSA-N 318.381 -0.552 30 20 DBED C[C@H](CCNC(=O)Cn1nccn1)Nc1cncc(C#N)n1 1099535691 CVJPYIKYVYYGNB-SNVBAGLBSA-N 300.326 -0.053 30 20 DBED C[C@@H](CCNC(=O)c1cn(C)c(O)n1)N=c1cc[nH]c(C#N)n1 1099662196 RPEIRARTGSCIQT-VIFPVBQESA-N 315.337 -0.170 30 20 DBED C#CCOCCC(=O)N[C@H]1CCN(Cc2ccon2)C[C@H]1O 1099832890 OFMRQYIPMRZODK-UONOGXRCSA-N 307.350 -0.234 30 20 DBED Cc1cc(C#N)nc(N(C)CCNC(=O)C2CS(=O)(=O)C2)n1 1100165617 ZRFUDIZJVSLIIA-UHFFFAOYSA-N 323.378 -0.746 30 20 DBED CC(=O)NCC(=O)NC[C@@H]1CCN(c2nccnc2C#N)C1 1100925999 KUDANJAUSAWFCT-NSHDSACASA-N 302.338 -0.573 30 20 DBED Cn1ncc(C(=O)NCCN(c2cncc(C#N)n2)C2CC2)n1 1101362698 ZLQIJEIUPDWQBN-UHFFFAOYSA-N 312.337 -0.124 30 20 DBED N#CCSCC(=O)N[C@H]1CC2(CN(CCO)C2)n2ccnc21 1101609904 ATPLKEDGBVGPOW-NSHDSACASA-N 321.406 -0.296 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1CNC(=O)c1ncc[nH]1 1101940470 FSQZKNOEDQZJFH-GHMZBOCLSA-N 304.354 -0.653 30 20 DBED CC[C@@H](CNC(=O)Cn1ncnn1)N=c1cc(C)[nH]cc1C#N 1103208251 XTOFJLHSAOOBSF-LBPRGKRZSA-N 314.353 -0.323 30 20 DBED CC[C@@H](CNC(=O)[C@H]1CNC(=O)N1)Nc1ccc(C#N)nc1 1103277403 HUYCMCWEZDHRDC-JOYOIKCWSA-N 302.338 -0.059 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)CCn1cnnn1 1104047453 ICECQJLUVRDVKB-SNVBAGLBSA-N 315.341 -0.989 30 20 DBED COC[C@H](OC)C(=O)NC[C@H](C)CN=c1cc[nH]c(C#N)n1 1104200153 NTVZKPVLFQTQDM-MNOVXSKESA-N 307.354 -0.404 30 20 DBED N#CCNCc1cn(C2CN(C(=O)Cc3cscn3)C2)nn1 1105339818 YEMVLCWJZJAHQT-UHFFFAOYSA-N 317.378 -0.026 30 20 DBED C=CCO[C@H](C)C(=O)N1CC(n2cc(CNC[C@H](C)O)nn2)C1 1105381151 QAXWEBWTRGOABY-NWDGAFQWSA-N 323.397 -0.277 30 20 DBED CN1CCC[C@@H]1C(=O)NC[C@@H](O)CNc1nccnc1C#N 1105755203 KMNWJIJODQILPR-CMPLNLGQSA-N 304.354 -0.669 30 20 DBED N#Cc1nc(=NC[C@@H](O)CNC(=O)C2=CCOCC2)cc[nH]1 1105798473 CMFPUJDVMFICOD-LLVKDONJSA-N 303.322 -0.994 30 20 DBED C#Cc1ccc(C(=O)NC[C@H](O)CNc2nccnc2C#N)nc1 1105908335 NZTNGXIXFNLIAY-GFCCVEGCSA-N 322.328 -0.073 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)CO[C@H]2CCOC2)nn1 1105972172 DJPYVATXHUSQHL-RYUDHWBXSA-N 321.337 -0.957 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCN=c1cc[nH]c(C#N)n1 1106285200 MTRXBMXRGFHLMO-NSHDSACASA-N 314.349 -0.784 30 20 DBED CC[C@H](NC(C)=O)C(=O)N[C@@H](C)CCN=c1cc[nH]c(C#N)n1 1106581669 BFQWOKOVRYCSEI-JQWIXIFHSA-N 318.381 -0.008 30 20 DBED CN1CCOC[C@H]1C(=O)NC/C=C\CN=c1cc[nH]cc1C#N 1107162304 QTERYRMJPGKVOD-GWQWAINWSA-N 315.377 -0.210 30 20 DBED C[C@@H](C(=O)NC/C=C/CN=c1cc[nH]cc1C#N)S(C)(=O)=O 1107577184 VZERGHGHAYFGCT-UFFNRZRYSA-N 322.390 -0.107 30 20 DBED C/C=C(\C)C(=O)NC[C@@]1(C)CN(CC(=O)NCC#N)CCO1 1107851693 ATVRGHCNESGHDW-XANQCZFBSA-N 308.382 -0.201 30 20 DBED C[C@@H](CNc1ccc(C#N)nn1)NC(=O)[C@@H]1CCC(=O)NC1 1108776951 VAASSDOPJJNUEP-VHSXEESVSA-N 302.338 -0.209 30 20 DBED C[C@@H](CN(C)c1cncc(C#N)n1)NC(=O)[C@@H]1CCNC(=O)C1 1108894050 ADELYDJDXSAVLE-WDEREUQCSA-N 316.365 -0.185 30 20 DBED C[C@H](CN(C)c1nccnc1C#N)NC(=O)c1cnn(C)c1N 1108932807 FUCZQSFCUGRMNN-SECBINFHSA-N 314.353 -0.081 30 20 DBED CN(CCCNc1nccnc1C#N)C(=O)[C@@H]1CNC(=O)N1 1109598487 CZGHSEQRWIVYBR-JTQLQIEISA-N 303.326 -0.710 30 20 DBED CN(C)C(=O)CC(=O)N(C)CCCN=c1cc[nH]c(C#N)n1 1109638178 DIXUTRJHCOZLES-UHFFFAOYSA-N 304.354 -0.491 30 20 DBED CCc1nc(C#N)cc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)CC(N)=O)n1 1109697572 LCOJAPSNIVTXHN-UYNUJQBQSA-N 314.349 -0.521 30 20 DBED CNC(=O)NCC(=O)N[C@H](CNc1cnc(C#N)cn1)C1CC1 1110005680 ZFEOYFVAQZSEQY-LLVKDONJSA-N 317.353 -0.416 30 20 DBED N#Cc1cncc(NC2(CNC(=O)C3CS(=O)(=O)C3)CC2)n1 1110242683 MRPAIBBYHMAQCD-UHFFFAOYSA-N 321.362 -0.546 30 20 DBED N#Cc1cnc(NC2(CNC(=O)[C@H]3C[C@H]3C(N)=O)CC2)cn1 1110347308 PCMURHNXCCEMEA-ZJUUUORDSA-N 300.322 -0.470 30 20 DBED C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCS(C)(=O)=O 1110391680 YXTRHJKPFDDESX-UPJWGTAASA-N 316.423 -0.045 30 20 DBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C#CC1CC1 1110531527 BUINYWUYIRDBGL-MCIONIFRSA-N 300.362 -0.239 30 20 DBED C[C@@]1(NC(=O)Cn2cncn2)CCN(c2ccc(C#N)nn2)C1 1110760895 YBLFFXCOUQQIGE-CQSZACIVSA-N 312.337 -0.275 30 20 DBED C#CCNC(=O)CNC[C@]12CCC[C@H]1CN(C(=O)[C@@H](C)OC)C2 1112274789 XBTNPVNXEADZJN-KEYYUXOJSA-N 321.421 -0.011 30 20 DBED C[C@@H]1C[C@@H](NC(=O)CNC(N)=O)CCN1c1ccnc(C#N)n1 1112458055 WBAOHPGPCMMISO-ZJUUUORDSA-N 317.353 -0.510 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)[C@H](C)NC(C)=O)CC1 1112603065 HACPYXGVHHPAIX-RYUDHWBXSA-N 310.398 -0.654 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)c2cn(C)nn2)CC1 1112818443 GWXBFYJOAHQKFI-LLVKDONJSA-N 306.370 -0.736 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCN(CC(=O)NCC2CC2)CC1 1112844672 AUKWETTWJGAYSL-ZDUSSCGKSA-N 307.394 -0.305 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)[C@@]23COC[C@@H]2C3)CC1 1112867236 IIRQJBCRWSXQHV-XEZPLFJOSA-N 307.394 -0.142 30 20 DBED C[C@@H](N=c1cc[nH]c(C#N)n1)[C@@H](C)NC(=O)C(=O)NCC1CC1 1113132698 JPQKPGGGTDMHKH-NXEZZACHSA-N 316.365 -0.399 30 20 DBED COCC#CCN1CCN(C(=O)[C@@H]2CCCCC(=O)N2)CC1 1113337314 UPLGHWHYNGFDPZ-AWEZNQCLSA-N 307.394 -0.161 30 20 DBED C[C@@H](CNC(=O)Cn1cnnn1)N(C)c1ncccc1C#N 1113486484 AKGJYWMSIWAGTH-JTQLQIEISA-N 300.326 -0.419 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)CCCC(C)=O)[C@H]2C1 1113863887 CLBXLPATLOEQSZ-TTZDDIAXSA-N 319.405 -0.070 30 20 DBED COC[C@@H](O)CN1C[C@H]2C(NC(=O)c3c[nH]c(C#N)c3)[C@@H]2C1 1114148578 ITHPZOCFMGIAHR-YNEHKIRRSA-N 304.350 -0.446 30 20 DBED Cc1cc(C(=O)NC2[C@H]3CN(CC(=O)NCC#N)C[C@H]23)ns1 1114188544 FVVHQFBGAGEXHG-UWVGGRQHSA-N 319.390 -0.249 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)c3cn(C)nn3)[C@@H]2C1 1114218033 ZUMBEACZXSGXPD-HBNTYKKESA-N 318.381 -0.834 30 20 DBED COCC1(C(=O)NC2[C@H]3CN(CC(=O)NCC#N)C[C@H]23)CCC1 1114584019 CZVXMLCCALRSDT-RYUDHWBXSA-N 320.393 -0.511 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)c3ocnc3CC)[C@@H]2C1 1114806501 XCGGXNLQGVHEFO-GHMZBOCLSA-N 316.361 -0.354 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)c3ccnc(C)c3)[C@@H]2C1 1114991839 KEYXZZSIVUHMMB-ZIAGYGMSSA-N 312.373 -0.201 30 20 DBED CCN(CC)CC(=O)NC1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]12 1114992660 YOKWAYNOIKLTQH-VXGBXAGGSA-N 307.398 -0.986 30 20 DBED CCCN(C)CCC(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1115151739 KZSRELCHHIGYKT-VIKVFOODSA-N 321.425 -0.596 30 20 DBED C[C@@H](CN(C)C(=O)CN1CCOCC1)Nc1cncc(C#N)n1 1115677652 BMZVLGYDDFSTIU-LBPRGKRZSA-N 318.381 -0.061 30 20 DBED N#Cc1ccc(CS(=O)(=O)CC(=O)NOCC(N)=O)cc1 1116499460 LFMTUZRSUFPPSX-UHFFFAOYSA-N 311.319 -0.994 30 20 DBED C#CCSCCNC(=O)NCC1(O)CCS(=O)(=O)CC1 1117371104 XNDQCNGTVIQFSV-UHFFFAOYSA-N 320.436 -0.408 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N1CCC[C@H]1c1nncn1C 1117582374 RVNNDYYPPCFQPQ-QWRGUYRKSA-N 307.354 -0.204 30 20 DBED Cc1nc(N[C@@H](CO)CNC(=O)c2ncn(C)n2)ccc1C#N 1121432140 JFNASGJZWISZQL-LLVKDONJSA-N 315.337 -0.407 30 20 DBED N#Cc1cccnc1N[C@@H](CO)CNC(=O)Cn1cncn1 1121536593 RILPKAINOUIXRK-LLVKDONJSA-N 301.310 -0.866 30 20 DBED CCN(C)CCC(=O)NC[C@H](CO)N=c1cc[nH]cc1C#N 1122027739 JRXQSDDSJZONFY-CYBMUJFWSA-N 305.382 -0.394 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)CCc2cnc[nH]2)nn1 1122747205 HPFKLTYITYMATG-GFCCVEGCSA-N 315.337 -0.407 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)/C=C\C1CC1 1124219233 JPDMABFFDGSNMR-RXNFCKPNSA-N 301.350 -0.032 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)COC(C)C 1124444368 MJGHYRUYLLHUDD-LLVKDONJSA-N 314.386 -0.483 30 20 DBED C=CCCC(=O)NCCNCC(=O)N1CCC[C@H](NC(C)=O)C1 1124635929 DLUDHCFGTKRUBZ-AWEZNQCLSA-N 324.425 -0.215 30 20 DBED C#CCCCCC(=O)NCCNCc1nc(CC(=O)NC)no1 1125951787 VZPHFDFEPYDRFQ-UHFFFAOYSA-N 321.381 -0.243 30 20 DBED N#Cc1cnc(N2CC=C(CNC(=O)C(N)=O)CC2)c(F)c1 1127769712 SXTUFYZSELHLQN-UHFFFAOYSA-N 303.297 -0.170 30 20 DBED C=CCN[C@@H]1CN(C(=O)CCNC(N)=O)C[C@H]1c1cn(C)cn1 1130726362 UYXUTYVOFYVMJF-WCQYABFASA-N 320.397 -0.452 30 20 DBED C[C@H]1CC[C@@H](NC(=O)c2ccnn2C)CN1CC(=O)NCC#N 1131862195 SEJHMUMESVRLSR-NWDGAFQWSA-N 318.381 -0.357 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)CCn2ccnc2)C1=O 1132082558 RIOCIWGIDXUDKD-CYBMUJFWSA-N 305.382 -0.234 30 20 DBED CNS(=O)(=O)CC(=O)N1CC[C@@H](C)[C@@H](CNCC#N)C1 1133333025 BQZKRDHLYFIXSP-MNOVXSKESA-N 302.400 -0.867 30 20 DBED C=CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)CS(C)(=O)=O 1133834820 CYTGDJCSQUCHLC-QWRGUYRKSA-N 319.427 -0.794 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)C[C@H]2CCN(C)C2)C1=O 1147885297 LNNNDEWVRRCTRW-KGLIPLIRSA-N 308.426 -0.179 30 20 DBED C#Cc1ccc(C(=O)NCCNCCNC(=O)C2CC2)nc1 1148376170 CEIPAYYJWKAWQH-UHFFFAOYSA-N 300.362 -0.092 30 20 DBED C[C@@H](O)CN1CCCO[C@@H](CNC(=O)CSCC#N)C1 1149207338 LSZZQWZAFQLPBT-NEPJUHHUSA-N 301.412 -0.169 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@H]1CN(CC(=O)NC)CCCO1 1149623929 PIEBETLFBRAGNL-DOMZBBRYSA-N 313.398 -0.733 30 20 DBED C=CCO[C@H](C)C(=O)NCCNCC(=O)NCC(F)(F)F 1153097554 OVYXYENFQKIWBF-SECBINFHSA-N 311.304 -0.038 30 20 DBED C=CCNC(=O)CN(CC)[C@H](C)CNC(=O)CCNC(N)=O 1156797998 PYUQOCKXOABFIF-LLVKDONJSA-N 313.402 -0.826 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)[C@H]1C[C@@H](C)CC(=O)N1 1158275563 YNCMZBXMSQXKHT-FRRDWIJNSA-N 322.409 -0.865 30 20 DBED C#CCNC(=O)CNCCCNC(=O)C1(CC#C)CCOCC1 1159643998 CLLFAPDGXVVLNH-UHFFFAOYSA-N 319.405 -0.348 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1nc(C)c(C)nc1O 1160759310 WCVWGVLYSZCGKE-UHFFFAOYSA-N 319.365 -0.742 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@@H]1CCc2nn[nH]c2C1 1171063401 CZDFVNIOTVYBMQ-LLVKDONJSA-N 320.397 -0.692 30 20 DBED C=CCNC(=O)CNCCCNC(=O)CCC(=O)NCCC 1171468996 SQZNUVQDFHBMQI-UHFFFAOYSA-N 312.414 -0.309 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)CCCn3ccnn3)C[C@H]21 1177036907 WUDWCCXIPNVJFV-CABCVRRESA-N 317.393 -0.007 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CCCN2C)[C@H]1C 1178356418 MJQUOIZFZOQBBV-MELADBBJSA-N 308.426 -0.038 30 20 DBED C#CCOCCC(=O)NCCCCCCNCC(=O)NCC#N 1178438661 TXFPQCZBHNAYGL-UHFFFAOYSA-N 322.409 -0.068 30 20 DBED CC#CCNCCCCCCNC(=O)[C@@H]1CC(=O)NC(=O)N1 1179695137 FGTPMKXUWPDMQA-LBPRGKRZSA-N 308.382 -0.126 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)c2ccn(C)c(=O)c2)C1 1183683424 JLMHCYAKVLPECC-CQSZACIVSA-N 303.362 -0.161 30 20 DBED C[C@@H]1CN(C(=O)c2cnc(O)n(C)c2=O)CC[C@H]1CNCC#N 1184923161 KHZDORQZASSPLJ-MNOVXSKESA-N 319.365 -0.303 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2C)C1 1184944090 LSIFFKNOFNODND-UPJWGTAASA-N 322.409 -0.512 30 20 DBED COCC#CCN1C[C@@H]2CCN(C(=O)c3c[nH]c(=O)cn3)[C@@H]2C1 1188956397 IIQNBURGHRRIMG-GXTWGEPZSA-N 316.361 -0.434 30 20 DBED N#CCNC(=O)CN1C[C@@H]2CCN(C(=O)Cc3cnc[nH]3)[C@@H]2C1 1189246827 UTODHEWEHSKFBY-WCQYABFASA-N 316.365 -0.875 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2cc(=O)n(C)o2)C1 1189847350 LJVLBFNXQYPPQZ-NSHDSACASA-N 322.365 -0.573 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1191830990 ZDGXEMDVZOZNNB-RMRHIDDWSA-N 305.378 -0.839 30 20 DBED C#CCCCCC(=O)N[C@@H]1CN([C@H](C)C(=O)N(C)C)C[C@H]1O 1192329425 YVDIPYJJJQMWOW-MGPQQGTHSA-N 309.410 -0.182 30 20 DBED C=CCN(C)[C@@H]1CCN(C(=O)CNS(=O)(=O)N(C)C)C1 1192597863 WXJHMHBPECCJTP-LLVKDONJSA-N 304.416 -0.899 30 20 DBED CN1CCC[C@@H](N2C[C@@H](O)[C@H](NC(=O)C#CC3CC3)C2)C1=O 1192821490 LRDUOYQKXRAEFA-MGPQQGTHSA-N 305.378 -0.818 30 20 DBED CC(C)(COCC(F)F)C(=O)N[C@@H]1CN(CC#N)C[C@H]1O 1194975093 BEYQYECNEWSGNK-NXEZZACHSA-N 305.325 -0.021 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)c2cc(C(N)=O)co2)C1 1196138300 MIVOJBAMIWBZOL-VXGBXAGGSA-N 323.349 -0.644 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C[C@@H](C)C(C)(C)C)C1 1198151287 LYVMNSJWMLDLLS-MGPQQGTHSA-N 323.437 -0.031 30 20 DBED C=CCOCCNC[C@H]1CN(C(=O)c2cnn[nH]2)CCCO1 1200865952 NTFFQVWEWUQEQU-LBPRGKRZSA-N 309.370 -0.172 30 20 DBED COCCn1ccc(C(=O)N2CCCO[C@@H](CNCC#N)C2)n1 1200937742 NLOCBUNUNFJKQF-ZDUSSCGKSA-N 321.381 -0.126 30 20 DBED C=CCNC[C@H]1CN(C(=O)CCn2ncn(C)c2=O)CCCO1 1201051288 OLUBBDJZLATYSP-ZDUSSCGKSA-N 323.397 -0.635 30 20 DBED COCC#CCN[C@@H]1CCCN(C(=O)[C@H]2CCNC(=O)C2)C1 1207789979 PIXHGRNCZOKYHP-UONOGXRCSA-N 307.394 -0.257 30 20 DBED C#CCCN[C@H]1CCCN(C(=O)CN2CCCS2(=O)=O)C1 1208282357 QXWMUDLFDOPVBE-ZDUSSCGKSA-N 313.423 -0.374 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)c2cn(CC)nn2)C1 1210368851 JCAYPOVXQZWLKG-LBPRGKRZSA-N 318.381 -0.758 30 20 DBED C#CCCN[C@@H]1CCCN(C(=O)CN2C(=O)CN(C)C2=O)C1 1210985258 RNHJJGAUKHPQHB-GFCCVEGCSA-N 306.366 -0.516 30 20 DBED C=CCC[C@H](C)N1C[C@@H](NC(=O)Cn2cnnn2)[C@H](OC)C1 1211823365 XPMRWCQQNGGHQS-YNEHKIRRSA-N 308.386 -0.157 30 20 DBED CC/C=C(/C)C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1OC 1211964461 NSBQNBSVXKFBKV-WNIKWDQDSA-N 308.382 -0.202 30 20 DBED C=CCN1C[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)CC)[C@H](OC)C1 1212308721 HBJXKIGZXIHNJA-IJLUTSLNSA-N 319.427 -0.684 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(Cc2cn(C)nc2C)C[C@@H]1O 1219361825 HEGQXDMTLDFJPF-KGLIPLIRSA-N 308.382 -0.408 30 20 DBED COc1cccc(CN2C[C@H](O)[C@H](NC(=O)[C@H](C)C#N)C2)n1 1219379219 OVPZFVYPZOKFJB-RTXFEEFZSA-N 304.350 -0.089 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN([C@H]2CCN(C(C)C)C2=O)C[C@@H]1O 1219587751 UAHBVYGVRZRVIP-ILXRZTDVSA-N 321.421 -0.184 30 20 DBED C=CCC1(C(=O)N[C@@H]2CN(CC(N)=O)C[C@@H]2O)CCOCC1 1220871712 TUEVSBQBZPEPIZ-NEPJUHHUSA-N 311.382 -0.994 30 20 DBED C=CCCCN1C[C@H](O)[C@H](NC(=O)c2c[nH]c(C(N)=O)c2)C1 1220981605 ZOEVKAPEDVYQPP-OLZOCXBDSA-N 306.366 -0.145 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CCN(C(=O)[C@@H]3CCCO3)C[C@@H]21 1222214681 LAABULQOQTXSQM-ILXRZTDVSA-N 319.405 -0.162 30 20 DBED COCC#CCN1CCC(CNC(=O)Cn2cnnn2)CC1 1222357953 HLSLRDWNOATAJR-UHFFFAOYSA-N 306.370 -0.849 30 20 DBED N#CCNC(=O)CN1CCC(CNC(=O)Cn2cccn2)CC1 1222377740 YOWUHUQEFKQAKV-UHFFFAOYSA-N 318.381 -0.649 30 20 DBED C=CCNC(=O)CN(C)CCCNC(=O)[C@@H]1C[C@H]1C(=O)OC 1235505768 MCTKYDFBTCLIAY-VXGBXAGGSA-N 311.382 -0.464 30 20 DBED CNC(=O)CCNC(=O)C(=O)Nc1cccc(OCC#N)c1 1251169107 RIFDQUYULVSHFA-UHFFFAOYSA-N 304.306 -0.220 30 20 DBED C=CCn1c(-c2nc[nH]n2)nnc1N1CC(=O)N(C)C[C@H]1C 1262984438 QDMOFUKDMSLOPE-SECBINFHSA-N 302.342 -0.084 30 20 DBED COC[C@H](NC(=O)C(=O)N1CCO[C@H](C#N)C1)[C@H]1CCCO1 1323878870 VCTYJIGGZXWCFL-GRYCIOLGSA-N 311.338 -0.952 30 20 DBED C#CCSCCNC(=O)C(=O)N1CC[C@H]2NC(=O)CC[C@H]2C1 1328075269 ZOTMPPRLICCRAF-NWDGAFQWSA-N 323.418 -0.404 30 20 DBED C=CCN(C(=O)C(=O)N1CCN(CC(=O)NCC)CC1)C1CC1 1328549710 JTXMPGYPERVSMV-UHFFFAOYSA-N 322.409 -0.556 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)N[C@H]2CCc3c[nH]nc3C2)CCO1 1328867696 YDKZMHFADJGNRB-QWRGUYRKSA-N 303.322 -0.866 30 20 DBED COC[C@H]1CCCN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)C1 1329452571 KJWLHJLJSFIIDT-WFASDCNBSA-N 309.366 -0.252 30 20 DBED COC(=O)[C@@H]1CN(C(=O)C(=O)N2CCC(C#N)CC2)C[C@H](C)O1 1329694314 FBGLFRADRKUBMN-JQWIXIFHSA-N 323.349 -0.463 30 20 DBED C=CC[C@H](CC)NC(=O)C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1OC 1330482257 QXIHCCORMCBOMI-HBNTYKKESA-N 318.395 -0.615 30 20 DBED COCC#CC(=O)N1CCCC[C@@H]1CCNS(C)(=O)=O 1330739688 HRYQYNDDDFQXJM-GFCCVEGCSA-N 302.396 -0.043 30 20 DBED CN1C[C@H](NC(=O)C(=O)NCCc2ccc(C#N)cc2)CC1=O 1334030443 CXLGFBXSHFOSGZ-CYBMUJFWSA-N 314.345 -0.436 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)NCC[C@H]2CCNC2)CCN1C1CC1 1337470296 ACXDVKZGDPTBFE-TZMCWYRMSA-N 319.409 -0.699 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)NCC(=O)N1CCCC1 1352402411 RKVJQVLFPRSTRV-GFCCVEGCSA-N 309.366 -0.730 30 20 DBED Cn1nccc1[C@@H]1C[C@H](NC(=O)Cn2cnc(C#N)n2)CCO1 1362694492 RAVAZNCLDQERJV-PWSUYJOCSA-N 315.337 -0.080 30 20 DBED Cn1c(=O)[nH]c(N2CCC(c3cc(N)n[nH]3)CC2)c(C#N)c1=O 1364188069 CYRGRMOEVLXMMJ-UHFFFAOYSA-N 315.337 -0.365 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)CCn1cnnn1 1371566102 QSTYCFQVGCMHKM-IJLUTSLNSA-N 319.369 -0.234 30 20 DBED CCN(CCNC(=O)[C@@H](C)C#N)C(=O)CS(=O)(=O)C(C)C 1373934999 ACRVOCLFRWMWJS-NSHDSACASA-N 317.411 -0.066 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCN(C)C(=O)CN1CCC(=O)NC1=O 1376373027 VXMKJSUWPDIFGN-JTQLQIEISA-N 323.353 -0.995 30 20 DBED C[C@@H](C#N)C(=O)NCC1CN(C(=O)c2cc3n(n2)CCO3)C1 1387927516 KTIHQJXHIOIFRV-VIFPVBQESA-N 303.322 -0.377 30 20 DBED COC(=O)NCC(=O)NC[C@H](C)N(C)C(=O)c1cc(C#N)c[nH]1 1395053264 WYNJDQNDRHEBGL-VIFPVBQESA-N 321.337 -0.181 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)CCNC(N)=O)C[C@@H]2C1 1396584489 SLGCQNZLCNTKPB-UTUOFQBUSA-N 321.381 -0.489 30 20 DBED CCC[C@@H](C(=O)N(C)CCNC(=O)[C@H](C)C#N)S(N)(=O)=O 1398015392 RAUHSLPFBPEWMW-ZJUUUORDSA-N 318.399 -0.822 30 20 DBED CNC(=O)c1ccc(C(=O)N(C)CCNC(=O)[C@H](C)C#N)cn1 1408674230 TZEXBWPZYPFCCQ-SNVBAGLBSA-N 317.349 -0.211 30 20 DBED C[C@H](C#N)C(=O)NCCN(C)C(=O)[C@H]1CCCN(C(N)=O)C1 1415598559 NQZKQLXNLSQJLE-MNOVXSKESA-N 309.370 -0.489 30 20 DBED Cc1c[nH]c(CC(N)=O)c1C(=O)N1CC(NC(=O)[C@H](C)C#N)C1 1416046845 OCZUYDBOOZGVQE-MRVPVSSYSA-N 317.349 -0.549 30 20 DBED C[C@@H](CNC(=O)[C@@H](C)C#N)NC(=O)c1ccnc2c1nnn2C 1416936420 QDGPPRUNZVWSTI-IUCAKERBSA-N 315.337 -0.243 30 20 DBED Cc1cnn(CCC(=O)NC[C@H](O)CNC(=O)[C@H](C)C#N)c1 1431544660 GNBUUXRYCXSSDF-NEPJUHHUSA-N 307.354 -0.665 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](C)CNC(=O)c1cc2n(n1)CCO2 1451614703 XVXWEZZMWBBCBL-ZJUUUORDSA-N 305.338 -0.083 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C(=O)CNC(=O)N2CCCC2)CC1 1491021113 GXGLTCZSGDWYPP-GFCCVEGCSA-N 321.381 -0.378 30 20 DBED CCC(=O)NCC(=O)NC[C@@H]1CN(C(=O)[C@@H](C)C#N)CCCO1 1512346980 TWJCENRCPAWOIZ-NWDGAFQWSA-N 324.381 -0.594 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)[C@H](NC(N)=O)C(C)(C)C)CC1 1535632368 GYWAARUGJUTVNS-UWVGGRQHSA-N 323.397 -0.006 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(C(=O)O)no2)C1=O 1573367825 BITNABZBHUMBHT-UHFFFAOYSA-N 322.233 -0.712 30 20 DBED N#Cc1ccc(NCC(=O)N[C@H]2CN(C(=O)O)C[C@@H]2CO)nc1 1574249598 KASLDUKIYJOREA-MNOVXSKESA-N 319.321 -0.548 30 20 DBED N#Cc1ccc(S(=O)(=O)N2C[C@H]3COC[C@@]3(C(=O)O)C2)nc1 1574489784 PNBQXXUWYNGGGH-GWCFXTLKSA-N 323.330 -0.325 30 20 DBED CN(C)C(=O)[C@@H]1CCCN1c1cnc(-c2nn[nH]n2)c(C#N)n1 1578960872 SGCYWPXDSPOQOA-VIFPVBQESA-N 313.325 -0.415 30 20 DBED C#CCN(CC(=O)O)C(=O)CCCS(=O)(=O)N1CCCC1 1588402669 ZWMMGOREOWLXGA-UHFFFAOYSA-N 316.379 -0.261 30 20 DBED C=C(C)CN(CC)C(=O)CN1[C@H](C(=O)O)CCS1(=O)=O 1588562696 FTPXJHNQDXFRCZ-JTQLQIEISA-N 304.368 -0.100 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1588609529 PRXGCQVVPVDNKS-VXGBXAGGSA-N 317.353 -0.454 30 20 DBED COC(=O)[C@@H]1CN([C@@H](C)C(=O)NC2(C#N)CCC2)C[C@@H]1C(=O)O 1598816450 CDDJYBFNUYKRJN-GARJFASQSA-N 323.349 -0.257 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)c1cc(-c2nn[nH]n2)ccn1 1602722388 PIRHMMGAUMINDL-QMMMGPOBSA-N 300.278 -0.444 30 20 DBED C[C@]1(C(=O)O)CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)C1 1603308365 KXTQPADWJFLVOL-ONGXEEELSA-N 303.340 -0.748 30 20 DBED C=CCN1CC[C@H](N(C)c2cc(-c3nn[nH]n3)ncn2)C1=O 1609057502 WFSMJFUFXDOWQI-JTQLQIEISA-N 300.326 -0.120 30 20 DBED C=CCOC[C@H](NC(=O)c1nc2nccc(C)n2n1)C(=O)O 1609452260 CNBQZHXQCVUYKG-VIFPVBQESA-N 305.294 -0.182 30 20 DBED C[C@H](NC(=O)NCCn1cnc(C#N)n1)c1nnnn1C1CC1 1647334711 YZLVQRRPWYWCTA-QMMMGPOBSA-N 316.329 -0.468 30 20 DBED N#CCOc1cccc(CNC(=O)N2CCO[C@H](C(N)=O)C2)c1 1649701093 LVEXVXXKBUVWAX-ZDUSSCGKSA-N 318.333 -0.015 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)c2ccc(OC)o2)C1 1732152988 KEBHEPIJENZETD-NSHDSACASA-N 305.334 -0.158 30 20 DBED C#CCNC(=O)CN1CCC(N(C)C(=O)c2cn(C)nn2)CC1 1752299842 NCPDHOVIFJZQEZ-UHFFFAOYSA-N 318.381 -0.899 30 20 DBED CC(C)C#CC(=O)NCCN1CCN(Cc2nnnn2C)CC1 1752364979 MKZABGKDKUIGPO-UHFFFAOYSA-N 319.413 -0.897 30 20 DBED C#CCNC(=O)CNC[C@@H]1CCCCN1C(=O)[C@@H]1COCCO1 1752825776 ISTDNLIHDURGKC-KBPBESRZSA-N 323.393 -0.878 30 20 DBED C[C@@H](CNC(=O)c1ccc(C#N)[nH]1)NCCNS(C)(=O)=O 1752865128 BBMWIHYHLSDJKK-VIFPVBQESA-N 313.383 -0.857 30 20 DBED CC#CCNC[C@@H](O)CNC(=O)[C@H]1COc2ccccc2O1 1753935526 KPRXQNPZXBNFBB-IUODEOHRSA-N 304.346 -0.084 30 20 DBED C#CCCN1CC[C@H]1CNC(=O)C[C@@]1(C)CCS(=O)(=O)N1 1754500573 LEBCDKGKMMGETO-GXTWGEPZSA-N 313.423 -0.328 30 20 DBED C=C[C@@](C)(O)CC(=O)NC1(C)CCN(CC(=O)NCC#N)CC1 1754626077 PXOFIKRMEHUCHZ-MRXNPFEDSA-N 322.409 -0.076 30 20 DBED CC#CCNCC[C@H]1CCN(C(=O)CN2CCOCC2=O)C1 1754918530 GPXNVSDGBVBYCS-AWEZNQCLSA-N 307.394 -0.303 30 20 DBED CC#CCNC1(CC)CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 1755072526 KATUIZNALDVKJA-LBPRGKRZSA-N 320.393 -0.031 30 20 DBED C=C[C@@](C)(O)CC(=O)NC1(CN[C@H](C)C(N)=O)CCOCC1 1755095073 VAHJFNGGSCEEHS-BXUZGUMPSA-N 313.398 -0.558 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)c2cnn(CC)n2)C[C@@H]1C 1755108481 GRLXRMWCWNAMBD-WCQYABFASA-N 318.381 -0.903 30 20 DBED CN(C(=O)c1cc[nH]n1)[C@H](CNCC(=O)NCC#N)C1CC1 1755557994 UJNYJQBQPPYWCX-GFCCVEGCSA-N 304.354 -0.510 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H](CO)CNC(=O)c1cncc(F)c1 1755626172 AJCGOPXMXNKKNT-GXFFZTMASA-N 322.340 -0.961 30 20 DBED C#CCCN[C@H](CO)CNC(=O)[C@H]1CCc2cnc(C)n2C1 1755636101 AKXFBAQTMNSUCU-KBPBESRZSA-N 304.394 -0.156 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@H](C)N(C(=O)c2cc(C#N)c[nH]2)C1 1755675175 OWXURQLTSOPDQG-AAEUAGOBSA-N 313.361 -0.172 30 20 DBED CCN(C)CCC(=O)N1C[C@@H](NCC(=O)NCC#N)C(C)(C)C1 1755762757 KACJPKDFNPLADD-CYBMUJFWSA-N 323.441 -0.205 30 20 DBED C=C(C)CNC[C@@H](O)CN(C)C(=O)[C@@H]1CCCCS1(=O)=O 1755780584 JEUCOLXJAKCEGF-OLZOCXBDSA-N 318.439 -0.061 30 20 DBED CC(C)C#CC(=O)N1CCO[C@@H]([C@H](C)NC(=O)CNC(N)=O)C1 1756218516 YDIBBCOWSPROBK-NWDGAFQWSA-N 324.381 -0.954 30 20 DBED Cc1nn(C)c(F)c1C(=O)N[C@H](CO)CNC(=O)C#CC(C)C 1756518005 SJYTWVHKJLTKDF-NSHDSACASA-N 324.356 -0.266 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H](CO)NC(=O)c1ccn(C)c1 1756521873 XZBGFFRIHPXNLY-AAEUAGOBSA-N 307.350 -0.730 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(C(=O)[C@@H](C)NC(C)=O)C[C@H]1O 1756992225 RWJJKFIPDMYXCR-RAIGVLPGSA-N 309.366 -0.998 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)C1CCN(C)CC1)CCO2 1783046793 VOCJXDNMLZLTKY-KRWDZBQOSA-N 319.405 -0.209 30 20 DBED C#CC(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)CC)CC2)CC1 1833260374 WLRUCDWXSAZQKX-HNNXBMFYSA-N 321.421 -0.038 30 20 DBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCC3)C2)C1 1839806710 IVSIDZBKMNMBLI-INIZCTEOSA-N 306.362 -0.124 30 20 DBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)S)C2)C1 1839810664 LEXBQALZZORSQN-BXUZGUMPSA-N 312.391 -0.606 30 20 DBED CNC(=O)CC(=O)N1CC2(CCCN2C(=O)C#CC2CC2)C1 1841540132 WBMSSIYSCPVEMN-UHFFFAOYSA-N 303.362 -0.261 30 20 DBED C=CCNC(=O)[C@@H](C)OC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O 26593233 MRSMMBDPLHTBMZ-PSLIRLAXSA-N 323.349 -0.059 30 20 DBED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCNCC2)cc1 37716261 BRICLRKSFIYJIA-UHFFFAOYSA-N 308.363 -0.732 30 20 DBED C#C[C@@H](OC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)C1CC1 152572222 HKJBMKQDOQMZKW-SNVBAGLBSA-N 316.317 -0.611 30 20 DBED C#CCN1CCN(C(=O)CN2CCC[C@@H]2c2nncn2C)CC1 156663035 QNCNSMSWVAHTCV-CQSZACIVSA-N 316.409 -0.271 30 20 DBED CN/C(=N\CC(=O)N1CCCCC1)NCCN1CCOCC1 170913670 OBRLJQZSEBNREM-UHFFFAOYSA-N 311.430 -0.504 30 20 DBED C#CCN(C)CCCNC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O 294050548 UCRMUYBROMVYCS-MRXNPFEDSA-N 320.393 -0.222 30 20 DBED O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NCC#CCO 294359294 TWANRACYZPBRIX-UHFFFAOYSA-N 305.290 -0.173 30 20 DBED C=CCN(CC=C)C(=O)C(=O)N1CCN(C(=O)COC)CC1 297376616 ABIUAOWNYYWUDJ-UHFFFAOYSA-N 309.366 -0.496 30 20 DBED CCS(=O)(=O)C[C@H](C)N/C(O)=N/CC(=O)N1CCCC1 330766499 VFFCHJIBFKKGQP-JTQLQIEISA-N 305.400 -0.064 30 20 DBED C[C@](C#N)(NC(=O)CN1CCC[C@H]1CS(N)(=O)=O)C1CC1 331683217 QKCDHKJLLXGSJO-WCQYABFASA-N 314.411 -0.452 30 20 DBED COc1ccc(CNS(=O)(=O)N2CCO[C@@H](C#N)C2)cn1 336902383 CGZJNURMJZPUOP-NSHDSACASA-N 312.351 -0.351 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCc2cnn(C)c2)C1=O 343196308 XICRTYFSOWXGOE-GFCCVEGCSA-N 319.365 -0.718 30 20 DBED C[C@@H](C(=O)NC[C@@H](O)CN1CCCCC1)n1cnc(C#N)n1 343560610 VPPBUCDDVQSZEX-NWDGAFQWSA-N 306.370 -0.326 30 20 DBED C[C@H](NC(=O)NCC(=O)NCC#N)C(=O)N1CCCC[C@H]1C 344606419 NFUGFMVBCRERKG-MNOVXSKESA-N 309.370 -0.285 30 20 DBED COC(=O)C[C@@H]1C(=O)NCCN1C(=O)Cc1noc(C)c1C#N 354344320 HQXXZQSVBBPTGD-LLVKDONJSA-N 320.305 -0.713 30 20 DBED CN(CCN1CCOC(C)(C)C1)C(=O)NCC(=O)NCC#N 358286466 BBYALOGLIYRQJX-UHFFFAOYSA-N 311.386 -0.622 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N1C[C@@H](CO)OC(C)(C)C1 420742566 HMOCKILQSSNJBH-QWRGUYRKSA-N 305.400 -0.206 30 20 DBED CCS(=O)(=O)N(C)CCCNC(=O)[C@H](N)CCCC#N 424092214 GIYXZVVZFZQOHM-LLVKDONJSA-N 304.416 -0.205 30 20 DBED C#CCN1CCC(C(=O)Nc2cnn(CC(=O)NC)c2)CC1 490574963 IBFMMZQLRQXOAD-UHFFFAOYSA-N 303.366 -0.087 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2cccnc2OC)CC1 491164906 GQIPPYSFVDSBLT-UHFFFAOYSA-N 316.361 -0.403 30 20 DBED C#CCNS(=O)(=O)c1cccc(C(=O)NOCCOC)c1 491786330 SWKSJOPJQTYRBK-UHFFFAOYSA-N 312.347 -0.094 30 20 DBED C=CCN1CC[C@H](N2[C@H]3C[C@H]4[C@H]([C@@H]3O)[C@@H]3C[C@H]4[C@H](O)[C@H]32)C1=O 567994712 SGYAXMBVFGNKLA-DQISBJONSA-N 304.390 -0.166 30 20 DBED CC(C)[C@@](C)(C#N)NC(=O)CN1C(=O)NC2(CCNCC2)C1=O 569482036 XHHJQMGILRYPFI-CQSZACIVSA-N 321.381 -0.285 30 20 DBED Cc1cc(NC(=O)C(=O)N2CCOC[C@@H](O)C2)ncc1C#N 575135808 MAWPKGDUJVLLNM-NSHDSACASA-N 304.306 -0.580 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H](CO)CC2)C1=O 578310854 JDDPIZWVOVGVMN-NSHDSACASA-N 323.349 -0.416 30 20 DBED COC(=O)c1ccc(N2CCN3C(=O)NC[C@H]3C2)c(C#N)n1 578379900 JRFJFDRCRXTNMH-VIFPVBQESA-N 301.306 -0.046 30 20 DBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@H]1CCCC(=O)N1 583360701 HDDBGVAWYNZTDE-LLVKDONJSA-N 304.354 -0.077 30 20 DBED CN(CCCNS(=O)(=O)CC1(CC#N)CC1)S(C)(=O)=O 594790595 UMWUWXSBYOHDMO-UHFFFAOYSA-N 323.440 -0.119 30 20 DBED N#C[C@@H](CO)NC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 597744190 OXGVZIMEMBLMML-JTQLQIEISA-N 321.293 -0.605 30 20 DBED CS(=O)(=O)N1CCC[C@H]1C(=O)N1CCN(CCC#N)CC1 602206404 MRHCNOLUFVERFY-LBPRGKRZSA-N 314.411 -0.532 30 20 DBED N#CCCN1CCN(C(=O)C(=O)N[C@H]2CCC[C@@H]2CCO)CC1 602275078 YHYJXSUFKIRLNM-KGLIPLIRSA-N 322.409 -0.288 30 20 DBED CN(C)C[C@@](C)(C#N)NC(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1 602333714 OQULSPLOPHNMOZ-IAQYHMDHSA-N 318.381 -0.267 30 20 DBED CS(=O)(=O)N1CCCC[C@@H]1C(=O)N1CCO[C@@H](C#N)C1 609269300 RALQXPAJLORUNV-WDEREUQCSA-N 301.368 -0.449 30 20 DBED COC(=O)[C@@H](NS(=O)(=O)N1CCO[C@H](C#N)C1)C(C)(C)C 619710080 CCZRCTOKWMWKDW-NXEZZACHSA-N 319.383 -0.367 30 20 DBED C=C[C@H](CO)NC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2s1 620591130 JFJWDLMJUGGNDA-SSDOTTSWSA-N 309.347 -0.425 30 20 DBED CC#CC[C@H](CO)NC(=O)C(=O)Nc1cccc(C(=O)NC)c1 646954949 HAWXFAVWFOFBTO-CYBMUJFWSA-N 317.345 -0.125 30 20 DBED C#CCSCCNS(=O)(=O)c1cnn(CC(=O)OC)c1 742302469 ZTESQLCGSQEGKQ-UHFFFAOYSA-N 317.392 -0.299 30 20 DBED C#CCn1c(=C(C#N)C#N)sc(=Cc2cnn(CC)c2)c1=O 758067178 NDDYOADQRBXUEM-UHFFFAOYSA-N 309.354 -0.214 30 20 DBED C#CCNS(=O)(=O)N1CCN(CCN2CCCCC2)CC1 761037346 PFZSMLXOJQKZHD-UHFFFAOYSA-N 314.455 -0.443 30 20 DBED COC(COCCNc1c(C#N)c(=O)n(C)c(=O)n1C)OC 784536947 BZROJCVGQIYRPV-UHFFFAOYSA-N 312.326 -0.997 30 20 DBED C#CCN1CCN(C(=O)[C@@](C)(O)Cn2ccc(C)cc2=O)CC1 790581875 VACGFUUHNAURHW-KRWDZBQOSA-N 317.389 -0.315 30 20 DBED CN(C)c1c(C=NN[C@H]2CCSC2)c(=O)n(C)c(=O)n1C 808001484 KRRHLHARDYZISI-VIFPVBQESA-N 311.411 -0.421 30 20 DBED C#Cc1cccc(NC(=O)C(=O)N[C@H]2CCC(=O)N(C)C2=O)c1 824668039 KYZFJYHHKQRURE-LBPRGKRZSA-N 313.313 -0.130 30 20 DBED C=CCCO[C@H](C)C(=O)NN1C(=O)[C@@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C1=O 828691137 IDYIJCYVBLHWPO-OOCWMUITSA-N 306.318 -0.063 30 20 DBED C=CCN1CCN(CN2CC[C@H](S(=O)(=O)NCC)C2)C1=O 840043447 QKNUCRLAHDTDOR-LBPRGKRZSA-N 316.427 -0.119 30 20 DBED C=CCn1cc(C(=O)N2CCN(CC[S@@](C)=O)CC2)nn1 843805298 OQUKHJGXCWRXSN-OAQYLSRUSA-N 311.411 -0.400 30 20 DBED C#C[C@@H](C)NS(=O)(=O)CCCS(=O)(=O)N(C)CC#N 848965893 XIPUGQARJNXQJC-SNVBAGLBSA-N 307.397 -0.897 30 20 DBED CC(C)(C)n1nnc(CC(=O)OCCn2ncc(C#N)c2N)n1 850824972 IUTZMVUIKOEQPV-UHFFFAOYSA-N 318.341 -0.136 30 20 DBED C#CCN(C)CCCNC(=O)N1CC(S(=O)(=O)CC)C1 854093999 ANXGNWCIBPMARU-UHFFFAOYSA-N 301.412 -0.230 30 20 DBED C#CC[C@H](CCOC)NS(=O)(=O)c1cc(C(N)=O)n(C)c1 859424899 ALZDLDAEMGVWJV-SNVBAGLBSA-N 313.379 -0.169 30 20 DBED CN(CCC#N)S(=O)(=O)NC[C@H]1CC2(CCNCC2)CO1 871809440 CTLWMKZRUVJXPL-GFCCVEGCSA-N 316.427 -0.175 30 20 DBED C#CCSCC(=O)Nc1cnn(CC(=O)NCCOC)c1 889208978 ZWJQEPRZUKQBDD-UHFFFAOYSA-N 310.379 -0.049 30 20 DBED S=C(NCCN1CCOCC1)NN=Cc1csnn1 915941355 SNLHEIYQNXPEOV-UHFFFAOYSA-N 300.413 -0.332 30 20 DBED C#C[C@H](NC(=O)C(=O)NCCO[C@@H]1CCOC1)[C@@H]1CCCO1 930467353 QOWUECDKDPSFOD-AGIUHOORSA-N 310.350 -0.795 30 20 DBED N#Cc1cc(C(=O)N2CC[C@H](NC(=O)Cn3nccn3)C2)c[nH]1 938014297 JMZBIQUHQIWYEE-NSHDSACASA-N 313.321 -0.491 30 20 DBED C[C@@H]1CN(C)C[C@H](C(=O)N[C@@H]2CCN(C(=O)C#CC3CC3)C2)O1 941273386 CGFLNBAWEJZVMO-BPLDGKMQSA-N 319.405 -0.164 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)c2n[nH]cc2F)C1 944763597 ZXMLLCZIMGYKII-BDAKNGLRSA-N 309.301 -0.334 30 20 DBED O=C(Cc1nc[nH]n1)NC1CCN(C(=O)C#CC2CC2)CC1 946696297 KMQCMCDWUNASQZ-UHFFFAOYSA-N 301.350 -0.132 30 20 DBED CCN1CC[C@H](NCC2(O)CCN(C(=O)[C@H](C)C#N)CC2)C1=O 946918737 QFJBLLGCUYIESG-OLZOCXBDSA-N 322.409 -0.290 30 20 DBED C#Cc1cncc(C(=O)N[C@H]2[C@H]3C[C@H]2N(C(=O)c2cnn[nH]2)C3)c1 948008717 UEZFSIMXSXWYMF-YUTCNCBUSA-N 322.328 -0.176 30 20 DBED C[C@H](C#N)C(=O)N1CCC(NC(=O)c2cn(C)c(=O)cn2)CC1 948098261 CIGZDCUOLCOALG-SNVBAGLBSA-N 317.349 -0.339 30 20 DBED N#Cc1cc(C(=O)N2CC[C@@H]2CNC(=O)[C@@H]2CCC(=O)N2)c[nH]1 951382193 VWWZDUJEMKZGCC-NEPJUHHUSA-N 315.333 -0.504 30 20 DBED NC(=O)C(=O)N1CCC[C@@]2(CCN(C(=O)C#CC3CC3)C2)C1 952908433 GRBOAUGSDUALFA-INIZCTEOSA-N 303.362 -0.274 30 20 DBED CN(C(=O)c1ccc(C#N)[nH]1)C1CN(C(=O)Cn2cncn2)C1 954088415 JZPOFUASDWMFKI-UHFFFAOYSA-N 313.321 -0.539 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2cnn3cc(C)cnc23)C1 958445824 ZHQOGCKQDMSLMC-TZMCWYRMSA-N 313.361 -0.307 30 20 DBED COCCN1C[C@H](C(=O)N[C@H]2[C@@H]3CN(CC#N)C[C@@H]32)CC1=O 960162552 FRCGMYAQPHLPIA-NMKXLXIOSA-N 306.366 -0.949 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)C1=CCOCC1 960280412 ODSAPKXJJGPENR-KWCYVHTRSA-N 319.361 -0.069 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CN(C(=O)Cn3ccnc3)C[C@H]2C1 961852443 KIOBOWYWZIMKOF-RWMBFGLXSA-N 301.350 -0.040 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(CC1)C[C@H]2NC(=O)Cn1cnnn1 962968253 IHUQEVCPDSHYCL-WDEREUQCSA-N 317.353 -0.670 30 20 DBED C[C@H](C#N)C(=O)N1CCC2(CC1)C[C@H]2NC(=O)Cn1ncnn1 963878296 KBPOPUUJGBAMPR-GHMZBOCLSA-N 317.353 -0.670 30 20 DBED C=C1CC(C)(C(=O)N2C[C@H](O)[C@H](NC(=O)Cn3nccn3)C2)C1 964031724 SPOMARZKAUPPKV-NEPJUHHUSA-N 319.365 -0.678 30 20 DBED Cc1n[nH]cc1C(=O)N[C@H]1COC2(C1)CN(C(=O)[C@H](C)C#N)C2 965772520 UHZCQDYCNYVXNR-MWLCHTKSSA-N 317.349 -0.023 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](NC(=O)Cn2ncnn2)C(C)(C)C1 967032435 GWADALFEQHXLFF-WDEREUQCSA-N 319.369 -0.424 30 20 DBED C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)CN2CCNC(=O)C2)C1 967724240 PNUITYXNXBHDRD-KGLIPLIRSA-N 308.426 -0.179 30 20 DBED CCN(C(=O)c1c[nH]c(C#N)c1)C1CN(C(=O)CC(N)=O)C1 967892594 YGAKRMMZOQHQEO-UHFFFAOYSA-N 303.322 -0.565 30 20 DBED C#CCN1CC[C@@H](C)[C@H](NC(=O)Cn2nc(C)n(C)c2=O)C1 968596590 KGTZCJKCRBZQSK-DGCLKSJQSA-N 305.382 -0.650 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@@H](N[C@H]2CCCNC2=O)C1 968954768 QEABYCGYEKVEIF-ILXRZTDVSA-N 318.421 -0.447 30 20 DBED C#CCCN1C[C@@H](NC(=O)CN2C(=O)CNC2=O)C(C)(C)C1 977574099 JAVISDZOKLKCER-LLVKDONJSA-N 306.366 -0.612 30 20 DBED CN(C)C(=O)CN1C[C@H]2C(CNC(=O)c3c[nH]c(C#N)c3)[C@@H]2C1 978011328 AAMSIBODYHHVCJ-KBPBESRZSA-N 315.377 -0.118 30 20 DBED CN(C(=O)[C@H]1CCNC1=O)[C@H]1CCCN(C(=O)C#CC2CC2)C1 984190689 SKUSOFPITZNHCS-KBPBESRZSA-N 317.389 -0.015 30 20 DBED O=C(N[C@@H]1CCN(C(=O)C#CC2CC2)C[C@H]1O)c1cnccn1 991245513 OXLDUXCSWOGTMS-TZMCWYRMSA-N 314.345 -0.418 30 20 DBED C=CCn1cc(C(=O)NC2CN(C(=O)[C@H]3CO[C@@H](C)C3)C2)nn1 991677585 RJSHDKDFPSJNSQ-WDEREUQCSA-N 319.365 -0.170 30 20 DBED CCN1C[C@H](C(=O)NC2CN(C(=O)C#CC3CC3)C2)CC1=O 993780001 JUMOYTOWTCFSMB-GFCCVEGCSA-N 303.362 -0.405 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)[C@@H]2CCCN(C(N)=O)C2)C1 995436808 FOPUPZQTNWZZBC-VHSXEESVSA-N 307.354 -0.736 30 20 DBED C#Cc1cncc(C(=O)NC2CN(C(=O)c3[nH]nnc3C)C2)c1 999317034 CHIINJWSQMRQIK-UHFFFAOYSA-N 310.317 -0.256 30 20 DBED N#CCN1CC[C@@H](n2cc(CNC(=O)[C@H]3COCCO3)nn2)C1 999955460 KWNZGJBOBZHAMA-CHWSQXEVSA-N 320.353 -0.920 30 20 DBED N#Cc1cc(C(=O)N2CC(CNC(=O)[C@@H]3COCCO3)C2)c[nH]1 1000999723 KJLNBMSQYHNNPI-ZDUSSCGKSA-N 318.333 -0.510 30 20 DBED CO[C@H](C)C(=O)N1CCC(=O)NCCN(C(=O)[C@@H](C)C#N)CC1 1001730414 PWMKPOGTLGLNLA-NWDGAFQWSA-N 324.381 -0.642 30 20 DBED C#CCN1CCC(CNC(=O)[C@@H]2CCN(C)S2(=O)=O)CC1 1001933979 MCHJUZNGWIBLHD-ZDUSSCGKSA-N 313.423 -0.518 30 20 DBED CC#CCN1CCC(N(C)C(=O)[C@@H]2CCS(=O)(=O)N2)CC1 1006425990 NCHFDYGEKCYSCF-ZDUSSCGKSA-N 313.423 -0.376 30 20 DBED N#Cc1ccc(C(=O)N[C@@]23CCC[C@H]2N(C(=O)C(N)=O)CC3)[nH]1 1014248005 GGELXSPRTXBTQY-IAQYHMDHSA-N 315.333 -0.375 30 20 DBED O=C(C#CC1CC1)N1CC2(CCN(C(=O)[C@H]3COCCO3)C2)C1 1019009386 XEOOGEJWWRGSPH-CQSZACIVSA-N 318.373 -0.124 30 20 DBED C#CCN(C)[C@@H]1CCCN(C(=O)[C@@H]2CCN(C)S2(=O)=O)C1 1027612148 BKWXHIRSUGRFHC-OLZOCXBDSA-N 313.423 -0.424 30 20 DBED C#CCN1[C@H]2CC[C@H]1CN(C(=O)CC[C@@H]1NC(=O)NC1=O)C2 1029577338 NQZOVJWQABHQMF-SRVKXCTJSA-N 304.350 -0.717 30 20 DBED C#CCCN1CC(CNC(=O)[C@@]23C[C@H]4C[C@H](C(=O)N2)[C@H]3C4)C1 1031795990 YUCLVVYPPUXMAF-DPYKFYPSSA-N 301.390 -0.028 30 20 DBED CN(C(=O)c1cn(C[C@H]2CCOC2)nn1)[C@@H]1CCN(CC#N)C1 1033537382 CGLPHACPQUFINI-CHWSQXEVSA-N 318.381 -0.016 30 20 DBED C#CCCN1CCO[C@H](CNC(=O)c2cc(=O)c(OC)c[nH]2)C1 1035448249 BLBHZNHVRIMJEQ-GFCCVEGCSA-N 319.361 -0.163 30 20 DBED C#CCN[C@@H]1CCN(C(=O)CN2CC(=O)N(C)C2=O)C[C@H]1C 1036260405 MLGCBVAUZLHSKJ-VXGBXAGGSA-N 306.366 -0.660 30 20 DBED C=C(C)CN1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1cn(C)c(=O)n(C)c1=O 1037604216 CVYSAKNLBBWPIB-KGYLQXTDSA-N 318.377 -0.537 30 20 DBED N#Cc1cc(C(=O)NC[C@@H]2CCN2Cc2nc(O)n[nH]2)c[nH]1 1038175420 OUFDVZUFNRNTLO-JTQLQIEISA-N 301.310 -0.286 30 20 DBED C=CCC(CC=C)C(=O)NC[C@@]1(O)CCN(C(=O)C(N)=O)C1 1039809617 ZOLCWGXIMPZOBS-HNNXBMFYSA-N 309.366 -0.680 30 20 DBED C#CCN1CCC2(CC1)CCN(C(=O)C[C@@H]1CC(=O)NC1=O)C2 1040959977 NLVMNYHRPUGNST-ZDUSSCGKSA-N 317.389 -0.013 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)CCCCC(N)=O)C1 1041960251 JRVVBPNNDZTHAY-UHFFFAOYSA-N 311.382 -0.312 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)c2cncn2C)C1 1042801318 JYFBTGROUMXWKA-UHFFFAOYSA-N 304.350 -0.473 30 20 DBED O=C(C#CC1CC1)NCC1(O)CN(C(=O)c2ccncn2)C1 1042961348 URYLYNMZCAJKLO-UHFFFAOYSA-N 300.318 -0.807 30 20 DBED C=C[C@@H](CC)CC(=O)N1CC(O)(CNC(=O)Cn2nccn2)C1 1043213629 CYDWGUWQAXJMJK-LBPRGKRZSA-N 321.381 -0.430 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)C[C@@H]2CCNC2=O)C1 1043366405 OMWXTLDNIPSNRU-NSHDSACASA-N 323.393 -0.586 30 20 DBED C=CCCN1CC(N(C)C(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 1044061554 JVDQXAFSRJPUOQ-UHFFFAOYSA-N 316.365 -0.210 30 20 DBED Cn1cncc1C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1044289298 RCHDOOVAPUNLKO-KOLCDFICSA-N 313.321 -0.939 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)[C@]2(F)CCOC2)C1 1045139062 XASFXUWKPAFKDX-AWEZNQCLSA-N 300.330 -0.229 30 20 DBED C=CCCCC(=O)NCC1(O)CN(C(=O)CCc2cnn[nH]2)C1 1045458557 FKOTVKMAROPVBU-UHFFFAOYSA-N 321.381 -0.217 30 20 DBED C=C[C@@](C)(CC)C(=O)NCC1(O)CN(C(=O)c2cnon2)C1 1045777426 IOPVRWJSGHEOBW-ZDUSSCGKSA-N 308.338 -0.025 30 20 DBED C#CCN1CC[C@H](N2CCN(C(=O)[C@H]3COCCO3)CC2)C1 1046006268 IICHBSAKMGMVLJ-LSDHHAIUSA-N 307.394 -0.747 30 20 DBED C#CCN1CC[C@](C)(NC(=O)c2ccc(-n3cnnn3)cn2)C1 1046511233 IHUHCYMUQSHMNA-HNNXBMFYSA-N 311.349 -0.115 30 20 DBED CN1C[C@@H](C(=O)NC[C@H]2CN(CC#N)CCC2(F)F)NC1=O 1046966356 QMQSBAFNQVJUHY-UWVGGRQHSA-N 315.324 -0.393 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC(=O)N(C)C2)C1 1047402925 ZFYJPQSNERWQTA-SRVKXCTJSA-N 315.801 -0.279 30 20 DBED CCN(CC)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)C#N)C1 1049395318 STQLXIGMMOATSB-AGIUHOORSA-N 310.398 -0.482 30 20 DBED C=CCN1CCOC[C@@H]1CNC(=O)[C@H]1CCc2nnc(O)n2C1 1050989427 OYSZFGKIHMZPRZ-RYUDHWBXSA-N 321.381 -0.451 30 20 DBED N#CCN1CCOC[C@@H]1CNC(=O)c1cnn2c1OCCC2 1051004809 PZTZBMVPEBXYKG-NSHDSACASA-N 305.338 -0.380 30 20 DBED C=CCN1CCOC[C@H]1CNC(=O)[C@@H]1CCS(=O)(=O)C1 1051009249 DIUOVMHXYGZHTM-VXGBXAGGSA-N 302.396 -0.576 30 20 DBED C=C(C)CN1CCOC[C@@H]1CNC(=O)c1cn(C)c(=O)cn1 1051034265 NEPRIJHJXADXKN-LBPRGKRZSA-N 306.366 -0.213 30 20 DBED C#CCCN1CCOC[C@H]1CNC(=O)[C@@H]1CCCCN1C(N)=O 1051200933 FOOYKKIPSVDTAV-KGLIPLIRSA-N 322.409 -0.240 30 20 DBED CN(C)c1ccc(C(=O)NC[C@H]2COCCN2CC#N)nn1 1051207269 FZHZBQNHBJBLOT-NSHDSACASA-N 304.354 -0.503 30 20 DBED C=CCN1CC2(CC[C@@H](CNC(=O)c3nnc(O)nc3O)O2)C1 1053626760 DFVZTPBCDDBKOA-VIFPVBQESA-N 321.337 -0.568 30 20 DBED Cn1cc(C(=O)NC[C@H]2CCC3(CN(CC#N)C3)O2)ncc1=O 1053629847 XKNBDERFULQOQI-LLVKDONJSA-N 317.349 -0.733 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)[C@]3(C)CCC(=O)N3)CO2)C1 1053917152 BKIBPQLSTCCYAQ-DOMZBBRYSA-N 305.378 -0.362 30 20 DBED C=CCN1CC2(C[C@H](NC(=O)CN3CCC(=O)NC3=O)CO2)C1 1053976428 VABIBXIMHUYGNI-NSHDSACASA-N 322.365 -0.926 30 20 DBED C[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1NCc1nc(O)n[nH]1 1054588232 PZGRYHIEHRWUNG-GZMMTYOYSA-N 315.337 -0.040 30 20 DBED CC(C)C#CC(=O)N1C[C@H]2CN(C(=O)[C@H]3CNC(=O)N3)C[C@H]2C1 1055328409 MBJPCESGIPKJHX-FRRDWIJNSA-N 318.377 -0.756 30 20 DBED COC(=O)[C@@H]1C[C@H]1C(=O)N1CCN(c2nccnc2C#N)CC1 1055735079 JAZWZXKILGWNKV-GHMZBOCLSA-N 315.333 -0.194 30 20 DBED CN(c1cncc(C#N)n1)[C@@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 1056910519 WROPZKCQDYYVEP-MNOVXSKESA-N 316.321 -0.506 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)[C@]1(F)CCOC1 1057196636 QCKLXZIGLYZDOQ-AWEZNQCLSA-N 318.345 -0.745 30 20 DBED C#CCOCCC(=O)NCCN(CCO)C(=O)c1cnc(C)[nH]1 1057206622 RNBNRSSXMKKYIE-UHFFFAOYSA-N 322.365 -0.691 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCN(CCO)C(=O)/C(C)=C/C 1057311147 OIWLLNSCACMUQB-JVDKPVQESA-N 321.421 -0.013 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)c1ncccc1O 1057410370 OJJQIRQQPUKHLS-UHFFFAOYSA-N 323.349 -0.460 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)[C@]1(F)CCOC1 1057445493 XIDMAAAILRNEIP-HNNXBMFYSA-N 314.357 -0.144 30 20 DBED C=C(C)CCC(=O)N(CCO)CCNC(=O)c1cnn(C)n1 1057804489 KBDHDQDEAPIQRE-UHFFFAOYSA-N 309.370 -0.278 30 20 DBED COc1c(C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N)cnn1C 1058264633 GWXYKYVARKTFTH-JTQLQIEISA-N 323.353 -0.861 30 20 DBED N#Cc1nccc(N2CC[C@H](NC(=O)[C@@H]3COCCO3)C2)n1 1058305091 PLXYRODWLFSNFO-QWRGUYRKSA-N 303.322 -0.541 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)[C@H](F)C(F)(F)F 1058660985 MJSMQNPIOSNBNF-YUMQZZPRSA-N 313.251 -0.016 30 20 DBED CC(C)(C(N)=O)C(=O)N1CC[C@H](N=c2cc[nH]c(C#N)n2)C1 1058988306 BKDDAHSUMQYYFU-VIFPVBQESA-N 302.338 -0.706 30 20 DBED N#Cc1cncc(N[C@H]2C[C@H](NC(=O)C3CS(=O)(=O)C3)C2)n1 1059312813 LALNPAMNAYXJEQ-MGCOHNPYSA-N 321.362 -0.548 30 20 DBED Cc1cc(C#N)nc(N[C@H]2C[C@H](NC(=O)c3nnn(C)n3)C2)n1 1059376405 BFGNFIZKFQCNBW-KYZUINATSA-N 313.325 -0.447 30 20 DBED N#Cc1cncc(N[C@H]2C[C@@H](NC(=O)[C@H]3CCC(=O)NC3)C2)n1 1059878705 FSVFXEXOFWSZGF-GARJFASQSA-N 314.349 -0.066 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](CNc2nccn3nnnc23)C1 1060826459 YHUOJCAQQZLOLU-VHSXEESVSA-N 300.326 -0.061 30 20 DBED N#Cc1ccc(NC[C@@H]2CCN(C(=O)[C@H]3COC(=O)N3)C2)nn1 1060865987 ZKPZEWWOCCGSHZ-GXSJLCMTSA-N 316.321 -0.283 30 20 DBED N#Cc1nccnc1NC[C@@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 1060966958 GOXFRVXWRBVOQL-JTQLQIEISA-N 314.349 -0.126 30 20 DBED C#CCNC(=O)CC(=O)N1CCOC[C@H]1CNC(=O)CC(C)C 1061225294 CFPJZYPZDWPVCK-CYBMUJFWSA-N 323.393 -0.484 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@H]1COCCN1C(=O)c1cnn[nH]1 1061538961 UUULMSWTQOXQQC-YGRLFVJLSA-N 323.353 -0.911 30 20 DBED C=CCO[C@H](C)C(=O)NC1(CNC(=O)CC(=O)NC)CCC1 1062844606 DGPHUKCYBFLNJS-LLVKDONJSA-N 311.382 -0.131 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)C[C@@H](C)NC(N)=O)CCC1 1063051508 SHNALYKLUYJOJL-VHSXEESVSA-N 309.370 -0.252 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)[C@H](C)S(C)(=O)=O)CCC1 1063563226 JCVIWOKNWXENAK-UWVGGRQHSA-N 315.395 -0.266 30 20 DBED CC(C)(O)CC(=O)NC[C@@H]1CN(C(=O)C#CC2CC2)CCO1 1065133903 AZFBOUQRLRSMFQ-CYBMUJFWSA-N 308.378 -0.096 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H]1CN(C(=O)C#CC2CC2)CCO1 1065136992 KAPGZARDGOGHMP-HIFRSBDPSA-N 318.373 -0.218 30 20 DBED C#CCOCCC(=O)N1CCO[C@H](CNC(=O)[C@@H]2CCOC2)C1 1065150050 KHUZHSXZKVSLSU-ZIAGYGMSSA-N 324.377 -0.594 30 20 DBED C=C(C)CCC(=O)N1CCO[C@@H](CNC(=O)CNC(N)=O)C1 1065220279 MHVSZTMQWDLNDH-NSHDSACASA-N 312.370 -0.645 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CCC(=O)NC2)CCO1 1065323073 CETKNMHOHSRAQP-CHWSQXEVSA-N 323.393 -0.178 30 20 DBED CN(C(=O)c1cocn1)[C@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1065577524 VIBJZGYIJBJRDA-RYUDHWBXSA-N 314.305 -0.342 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC[C@@H](NC(=O)c2nc[nH]n2)CC1 1066389478 FGLFHJNLEHNOLB-NWDGAFQWSA-N 319.365 -0.046 30 20 DBED C[C@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1Nc1ccc(C#N)nn1 1067176107 CUBYLNMYYJPNJH-WCBMZHEXSA-N 313.325 -0.556 30 20 DBED N#Cc1nccnc1NC[C@H]1C[C@H](NC(=O)[C@H]2CCNC2=O)C1 1068562027 WHZRKJHSVKTTMP-DCAQKATOSA-N 314.349 -0.209 30 20 DBED C#CCOCCC(=O)N[C@@H]1COC2(C1)CN(C(=O)COC)C2 1068868471 OTNWDRFABJTSSI-LBPRGKRZSA-N 310.350 -0.841 30 20 DBED Cc1cc(=N[C@H]2CN(C(=O)C(N)=O)CC2(C)C)c(C#N)c[nH]1 1069610464 SZCOLMCFWQWKKY-LBPRGKRZSA-N 301.350 -0.182 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC[C@@H](NC(=O)c2cnn(C)n2)C1 1070726610 DPUIAFLICGJMDN-VXGBXAGGSA-N 319.365 -0.426 30 20 DBED C[C@H](C#N)C(=O)N1CCC(=O)NCCN(C[C@@H]2CCOC2)CC1 1070948236 FDDYWSQXAOLKRK-KGLIPLIRSA-N 322.409 -0.167 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)C[C@H]2CCN(C)C2)CC1 1071015433 DGYYFKKMDGGDEN-OAHLLOKOSA-N 320.437 -0.388 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H](N2CCN(CCCO)CC2=O)C1 1071258795 QXHVLKBUSYLDEN-KBPBESRZSA-N 322.409 -0.336 30 20 DBED C=CCOCC(=O)N1C[C@@H](NC(=O)CCCC(N)=O)[C@H](C)C1 1071805490 OTEHTLCWTSRGFE-VXGBXAGGSA-N 311.382 -0.192 30 20 DBED C=CCOCC(=O)N1C[C@@H](C)[C@@H](NC(=O)CNC(=O)C2CC2)C1 1071808194 FPVDICYMDKBCCY-YPMHNXCESA-N 323.393 -0.322 30 20 DBED CCC(=O)NCC(=O)N1C[C@H](C)[C@H](NC(=O)C#CC2CC2)C1 1071814329 GYIAIGYSJWCDOS-WCQYABFASA-N 305.378 -0.111 30 20 DBED C=CCCOCC(=O)N[C@H]1CN(C(=O)c2ncn(C)n2)C[C@@H]1C 1072017797 KWTCKJOSTXKPOT-RYUDHWBXSA-N 321.381 -0.016 30 20 DBED C=C(C)CN1C[C@@H](NC(=O)c2cn(CC(N)=O)nn2)CC[C@@H]1C 1072098933 INIPMGYVADVIJJ-RYUDHWBXSA-N 320.397 -0.078 30 20 DBED C=CCCC(=O)N[C@H]1CN(C(=O)C2CC(=O)NC(=O)C2)C[C@@H]1C 1072387513 JGTFAWVYDNYPNO-JQWIXIFHSA-N 321.377 -0.032 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C[C@H]1C 1072550958 HDZKZAZGVICQEX-SSZWKKLZSA-N 320.389 -0.118 30 20 DBED CC#CCN1CCC2(C1)CN(C(=O)[C@H]1CN(C(C)=O)CCO1)C2 1073157864 AJTHRQFSEHMRBS-OAHLLOKOSA-N 319.405 -0.209 30 20 DBED COCCn1ccc(C(=O)NC[C@H]2CN(CC#N)CCCO2)n1 1073690905 KVISPOKICQTBAH-ZDUSSCGKSA-N 321.381 -0.126 30 20 DBED N#CCN1CCCO[C@H](CNC(=O)c2ccc(C(N)=O)[nH]2)C1 1073766917 ROTZNMVALMVILM-SNVBAGLBSA-N 305.338 -0.542 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)[C@@H]2CCC(=O)N(C)C2)C1 1073901697 BVYNIWWLNGIXKP-KGLIPLIRSA-N 307.394 -0.305 30 20 DBED N#CCN1CCO[C@H]2CCN(C(=O)CCn3ccnn3)C[C@@H]21 1074225146 BXDHNQHBYNXKOB-STQMWFEESA-N 304.354 -0.507 30 20 DBED C#CCCN1CCO[C@H]2CCN(C(=O)c3cn(C)nn3)C[C@H]21 1074232604 CLNHHZIXLYPOKD-KGLIPLIRSA-N 303.366 -0.246 30 20 DBED N#CCN1CCO[C@H]2CCN(C(=O)c3cncnc3O)C[C@H]21 1074277009 WJEKFVANDXKLCS-NEPJUHHUSA-N 303.322 -0.379 30 20 DBED C=CCCC(=O)NCC1(O)CCN(C(=O)C2(C(N)=O)CC2)CC1 1074699803 KKKUHNVNEZOFJX-UHFFFAOYSA-N 323.393 -0.312 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)CNC(N)=O 1075545192 QKLPEVZGTUCRHT-AXFHLTTASA-N 312.370 -0.743 30 20 DBED C=CCN1C[C@@H]2CCN(C(=O)[C@H]3CCN(C)S3(=O)=O)[C@@H]2C1 1076349569 NYVQZRNNPVZIEC-YNEHKIRRSA-N 313.423 -0.261 30 20 DBED C#CCC1(C(=O)NCC[C@H](C)NC(=O)[C@@H]2CNC(=O)N2)CCC1 1076834923 IMUPFCMNNKULSN-RYUDHWBXSA-N 320.393 -0.128 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2coc3c2C(=O)NCCC3)C1 1077422523 BJSUFRKSSOTGLT-GHMZBOCLSA-N 318.333 -0.746 30 20 DBED CC(C)C#CC(=O)N[C@@H](C)CCNC(=O)CCn1cnnn1 1078024390 NWPDYZYZKLSMNA-LBPRGKRZSA-N 306.370 -0.266 30 20 DBED CCN(C(=O)CN1CCCC1=O)C1CN(C(=O)[C@H](C)C#N)C1 1079290154 XUGAXIUFSGJGMG-LLVKDONJSA-N 306.366 -0.172 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CO)(NC(=O)Cn2cccn2)CC1 1080718223 HKYWOHHZQAGOPP-GFCCVEGCSA-N 319.365 -0.488 30 20 DBED O=C(Cn1cccn1)NC[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 1081258697 ASJOIOQOEODYNQ-KGLIPLIRSA-N 316.361 -0.768 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2ccon2)C1 1081304679 GZTKSCUPVLZGCC-CMPLNLGQSA-N 309.322 -0.574 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)c2cnnn2C)C[C@@H]1O 1081462947 HZTWKUGLWNSFQN-AAEUAGOBSA-N 319.365 -0.976 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2nc(C)c[nH]2)C1 1081519316 FZIYMLGAELTXGJ-NWDGAFQWSA-N 322.365 -0.530 30 20 DBED C#CCOCCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cc[nH]c2)C1 1081539120 JLPRGNBIYOVRST-KGLIPLIRSA-N 319.361 -0.396 30 20 DBED C=CCOCC(=O)N1CCCC[C@H]1CNC(=O)CNC(C)=O 1081958004 RIAFYYHQSOTBLP-ZDUSSCGKSA-N 311.382 -0.178 30 20 DBED C#CCCN1C[C@@H](NC(=O)c2ccc(OC)nn2)[C@H](OC)C1 1082303475 HDTVETQCXJDDAS-CHWSQXEVSA-N 304.350 -0.063 30 20 DBED C=CCN1C[C@@H](NC(=O)[C@@H]2CCc3nncn3C2)[C@H](OC)C1 1082382369 APFWVUPQGVRCIF-JHJVBQTASA-N 305.382 -0.158 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)C1 1083504693 LRGRZEHMBMZWSA-UPJWGTAASA-N 307.394 -0.572 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)[C@H]2CCCc3nn[nH]c32)C1 1083733960 MABXXMXFRLVJCJ-UHTWSYAYSA-N 305.382 -0.038 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)c2cccc(-n3cncn3)n2)C1 1083900297 JZNQEKKJQRBMIN-OLZOCXBDSA-N 314.349 -0.377 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2coc(C3CCOCC3)n2)C1 1083927308 DWSFRQVZXFXPGC-OCCSQVGLSA-N 319.361 -0.023 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCc3nnc(C)n3C2)C1 1084084047 DBPMSEKYMSGJLC-MCIONIFRSA-N 317.393 -0.666 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)C[C@H]2C(=O)Nc3ccccc32)C1 1084113617 PXVDGYVNFXZXRA-BNOWGMLFSA-N 314.345 -0.203 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)C[C@@H]2C(=O)Nc3ccccc32)C1 1084113618 PXVDGYVNFXZXRA-YUTCNCBUSA-N 314.345 -0.203 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)Cn1cncn1)N=c1cc[nH]c(C#N)n1 1089317079 WHOYGVXXOGKWBJ-WDEREUQCSA-N 314.353 -0.243 30 20 DBED C=C(C)CCN1CC[C@H](NC(=O)Cn2cnnc2O)[C@@H](O)C1 1090198137 VJBVOJBIIYWODF-RYUDHWBXSA-N 309.370 -0.499 30 20 DBED COCc1cncc(C(=O)N[C@H]2CCN(CC#N)C[C@@H]2O)c1 1090329759 MIKVYZCAVSLWGW-KBPBESRZSA-N 304.350 -0.083 30 20 DBED CC[C@H](OC)C(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1O 1090374405 XWIVWLXHFHAPQI-UTUOFQBUSA-N 305.338 -0.561 30 20 DBED Cn1nnc2cc(C(=O)N[C@@H]3CCN(CC#N)C[C@@H]3O)cnc21 1090440791 GVUNBLPAQKYQEL-PWSUYJOCSA-N 315.337 -0.948 30 20 DBED COC[C@@H](OC)C(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1O 1090528469 TZYKXFDIUQXBFI-JHJVBQTASA-N 320.349 -0.720 30 20 DBED CO[C@@H](C(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1O)C(C)C 1090535427 TVYMSLFXTOFCLM-YRGRVCCFSA-N 319.365 -0.315 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2cn(CC3CC3)nn2)[C@H](O)C1 1090682058 IGUNZOBNDAANND-UKRRQHHQSA-N 317.393 -0.124 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2ccc3oc(O)nc3n2)[C@H](O)C1 1090722071 JWAUXXBIUHWCGI-PSASIEDQSA-N 317.305 -0.383 30 20 DBED N#CCN1CC[C@H](NC(=O)c2ccc3oc(O)nc3n2)[C@@H](O)C1 1090722079 JWAUXXBIUHWCGI-WPRPVWTQSA-N 317.305 -0.383 30 20 DBED N#Cc1cncc(N2CC[C@H](NC(=O)C#CC3CC3)[C@H](O)C2)n1 1092152300 QXVQYADVQJNLMV-UONOGXRCSA-N 311.345 -0.183 30 20 DBED C=CCCN1C[C@@H]2CN(C(=O)CN3C(=O)CNC3=O)C[C@]2(C)C1 1092260154 NVTHTYGLDKMCGQ-WBMJQRKESA-N 320.393 -0.105 30 20 DBED C#CCNC(=O)CC(=O)N1CCN(c2ccncc2C#N)CC1 1093149089 WPASXNURFMNHCO-UHFFFAOYSA-N 311.345 -0.259 30 20 DBED C#CCN1CC(OC2CCN(C(=O)CN3CCOCC3)CC2)C1 1093526068 LRSXMQFSDFQRKX-UHFFFAOYSA-N 321.421 -0.356 30 20 DBED N#Cc1nc(=NCCNC(=O)CNC(=O)N2CCCC2)cc[nH]1 1093893401 YPKYRLHLNSOHQJ-UHFFFAOYSA-N 317.353 -0.896 30 20 DBED N#Cc1c[nH]ccc1=NCCCNC(=O)[C@H]1CCCS1(=O)=O 1094445097 ABBATEVUHBRBFU-CYBMUJFWSA-N 322.390 -0.129 30 20 DBED N#Cc1cncc(NCCCNC(=O)C[C@@H]2CCNC2=O)n1 1094617629 NYAZZSHOPMQMFM-JTQLQIEISA-N 302.338 -0.207 30 20 DBED N#CCN1CC(N2C[C@@H](NC(=O)c3cncs3)CC2=O)C1 1094711071 BABSSRDTMUIXPO-VIFPVBQESA-N 305.363 -0.318 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)C3(C)CCOCC3)CC2=O)C1 1094795290 MIFXKOZEBKXUJT-CYBMUJFWSA-N 319.405 -0.162 30 20 DBED COCC(=O)N(C)CC(=O)NCCCNc1ccc(C#N)cn1 1094850412 XJPCYNXGPJJGOU-UHFFFAOYSA-N 319.365 -0.024 30 20 DBED CC(=O)N[C@@H](C)C(=O)N1CC[C@@H](N=c2cc[nH]c(C#N)n2)C1 1095009761 KUEOUCJNBJCJQW-GXSJLCMTSA-N 302.338 -0.692 30 20 DBED N#Cc1cnc(N2CC[C@H](NC(=O)CNC(=O)C3CC3)C2)cn1 1096320332 ACMSTWRGUCLJTC-NSHDSACASA-N 314.349 -0.431 30 20 DBED Cc1nsc(N2CC[C@H](NC(=O)CNC(N)=O)C2)c1C#N 1096322904 RBOGMXRCIFKYPA-QMMMGPOBSA-N 308.367 -0.314 30 20 DBED N#Cc1nc(=N[C@@H](CNC(=O)CCNC(N)=O)C2CC2)cc[nH]1 1096668677 JXTZLRHFDXAPLZ-JTQLQIEISA-N 317.353 -0.865 30 20 DBED N#Cc1ccc(N[C@H]2CCN(C(=O)C(=O)NCC3CC3)C2)nn1 1096953605 IICACMFHZPSAGL-LBPRGKRZSA-N 314.349 -0.113 30 20 DBED N#Cc1nc(=N[C@H]2C[C@H](NC(=O)CCn3ccnn3)C2)cc[nH]1 1097016747 MXCQIMKPZZZWJY-XYPYZODXSA-N 312.337 -0.489 30 20 DBED C[C@@H](CNC(=O)Cn1cnnc1O)Nc1cncc(C#N)n1 1097787544 IORPAKUDQPTMFK-QMMMGPOBSA-N 302.298 -0.738 30 20 DBED C[C@@H](CNC(=O)[C@H]1CC(=O)N(C)C1)Nc1ccc(C#N)nn1 1098346584 RQSXTYAUIGXRQQ-UWVGGRQHSA-N 302.338 -0.257 30 20 DBED CN1C[C@@H](C(=O)N2CCC(N(CC#N)CCO)CC2)CC1=O 1098384229 NZWIZDYPRGMUJP-LBPRGKRZSA-N 308.382 -0.726 30 20 DBED N#Cc1ccc(N[C@H]2CCC[C@H](NC(=O)CNC(N)=O)C2)nn1 1098590996 XPBDTOYSLQRYMP-UWVGGRQHSA-N 317.353 -0.144 30 20 DBED C[C@H](CCNC(=O)CN1CCOCC1)Nc1cncc(C#N)n1 1099091641 OCRPKRLAUCQMTC-GFCCVEGCSA-N 318.381 -0.013 30 20 DBED C#CCOCCC(=O)N[C@H]1CCN(Cc2cnsn2)C[C@@H]1O 1099833223 SPSHZBQUSHAUAP-STQMWFEESA-N 324.406 -0.371 30 20 DBED C#CCN1CC[C@@H](NC(=O)COCc2ccncc2)[C@H](O)C1 1100052942 HNMVNGJLLSVQTP-HUUCEWRRSA-N 303.362 -0.217 30 20 DBED Cc1c[nH]cc1C(=O)N[C@@H]1CCN(CC(=O)NCC#N)C[C@H]1O 1100107657 JKSVRGAAUXZLPX-CHWSQXEVSA-N 319.365 -0.872 30 20 DBED CCN(CCNC(=O)CCn1cncn1)c1nccnc1C#N 1100474860 NVPHACAJCDHADC-UHFFFAOYSA-N 314.353 -0.027 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)[C@@H](C)NC(C)=O)c3nccn32)C1 1101603737 DETNBOZILGLTKI-YPMHNXCESA-N 315.377 -0.387 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)CCNc1nccn2nnnc12 1101781086 CDUMMWAQQNZUKF-JTQLQIEISA-N 303.326 -0.572 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)[C@H]1CC[C@@H](C(N)=O)C1 1101972935 BOWVPVDRUZAJJA-MNOVXSKESA-N 316.365 -0.458 30 20 DBED CC[C@@H](CNC(=O)[C@@H](C)n1cncn1)N=c1cc[nH]c(C#N)n1 1103034732 NHMQKPDMKAOUGE-MNOVXSKESA-N 314.353 -0.070 30 20 DBED C[C@@](CNc1nccnc1C#N)(NC(=O)CC(N)=O)C1CC1 1103506975 MGFZKQXOGOMOOR-AWEZNQCLSA-N 302.338 -0.080 30 20 DBED CC(=O)N(C)CC(=O)NC[C@@H](C)CN=c1cc[nH]c(C#N)n1 1103876667 SMLJYZMXGVJPJH-JTQLQIEISA-N 304.354 -0.587 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)c1nccnc1N 1104532353 FREREMKCTGFOLM-VIFPVBQESA-N 312.337 -0.285 30 20 DBED C#CCNCc1cn(C2CN(C(=O)C3(COC)CC3)C2)nn1 1105283011 AJXRVJUAMQWXGY-UHFFFAOYSA-N 303.366 -0.189 30 20 DBED CCc1nc(C#N)cc(NC[C@H](O)CNC(=O)[C@H]2CCOC2)n1 1105738694 YPBXGQTZBLWCAJ-JQWIXIFHSA-N 319.365 -0.164 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)[C@@H]2COCCO2)cn1 1105780783 VLIXQJZVERACSG-OLZOCXBDSA-N 306.322 -0.742 30 20 DBED Cc1ccc(C#N)c(NC[C@H](O)CNC(=O)Cn2cncn2)n1 1105839083 MFTHAPVZPAZHHI-GFCCVEGCSA-N 315.337 -0.558 30 20 DBED N#Cc1cncc(NC[C@@H](O)CNC(=O)CCc2ccon2)n1 1106019003 FAZGYVOJZCWAIQ-GFCCVEGCSA-N 316.321 -0.142 30 20 DBED C#CCNC[C@@H]1CN(C(=O)CNS(=O)(=O)CC)C[C@H]1C 1106204105 FNRBGSLCLJYJBL-VXGBXAGGSA-N 301.412 -0.757 30 20 DBED C[C@H](CCNc1ccc(C#N)nn1)NC(=O)CS(C)(=O)=O 1106238430 BSNGFPPUNDNZQQ-SECBINFHSA-N 311.367 -0.300 30 20 DBED C=CCNC[C@@H]1CN(C(=O)CNC(=O)CNC(C)=O)C[C@H]1C 1106334625 BNSSVYIWVREQQV-DGCLKSJQSA-N 310.398 -0.891 30 20 DBED C=CCNC[C@@H]1CN(C(=O)C2CC3(C2)NC(=O)NC3=O)C[C@H]1C 1106752742 JKSFNWSTBCWMPK-QZCIIZHISA-N 320.393 -0.155 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)[C@]1(C)CNC(=O)C1 1106899379 OMDJBLHMTQGGCC-HNNXBMFYSA-N 316.365 -0.443 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC(n2cc(CNC(=O)CC)nn2)C1 1107112818 BYBRZVYOFUOVSX-LLVKDONJSA-N 320.397 -0.148 30 20 DBED C#CCNC(=O)CC(=O)NC/C=C/CNc1cncc(C#N)n1 1107130519 POPOXCZQFOKNNH-ONEGZZNKSA-N 312.333 -0.428 30 20 DBED C[C@H](CN=c1cc[nH]cc1C#N)NC(=O)C[C@H]1CCC(=O)N1 1107839206 VYXCXRPIPCJDTO-ZYHUDNBSSA-N 301.350 -0.040 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)[C@@]1(C)CNC(=O)C1 1108015987 GLSYREQXNVPFFO-YMTOWFKASA-N 302.338 -0.787 30 20 DBED C#CCCN1CCO[C@](C)(CNC(=O)[C@@H]2CCC(=O)NC2)C1 1108044335 QVFGKEZMJUWSIM-CZUORRHYSA-N 307.394 -0.257 30 20 DBED C[C@H](CNc1nccnc1C#N)NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 1108105397 DUAVGTPDRBZWFP-DVVUODLYSA-N 318.337 -0.702 30 20 DBED C[C@@H](CNc1cncc(C#N)n1)NC(=O)C(=O)NCC1CC1 1108487893 CWQAAQJVIVRWSN-VIFPVBQESA-N 302.338 -0.209 30 20 DBED N#CCN1CC(N2C[C@H](NC(=O)CC(F)(F)F)CC2=O)C1 1108516996 AGACIAXXXZTXCD-MRVPVSSYSA-N 304.272 -0.136 30 20 DBED C[C@@H](CNc1ccc(C#N)nn1)NC(=O)C[C@@H]1CCNC1=O 1108574177 YMHGHEPXIAFHLD-UWVGGRQHSA-N 302.338 -0.209 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)c1cn(C)ccc1=O 1108791237 HNFBZWDFISWFIT-JTQLQIEISA-N 312.333 -0.301 30 20 DBED C[C@@H](CN(C)c1ccc(C#N)nn1)NC(=O)c1cn(C)nn1 1108925230 OQUFXTQXQQPXCB-VIFPVBQESA-N 300.326 -0.269 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cn(C)cn1 1109147219 VLEHMCFCWMUWKR-DYEKYZERSA-N 315.377 -0.495 30 20 DBED C[C@H](CN(C)c1cnc(C#N)cn1)NC(=O)[C@H]1CCN(C)C1=O 1109182606 BZTHGRYIBYRLTJ-ZYHUDNBSSA-N 316.365 -0.233 30 20 DBED C[C@H](CN(C)c1cncc(C#N)n1)NC(=O)[C@H]1CN(C)C(=O)N1 1109194896 XQWLFMUHIFMITD-MWLCHTKSSA-N 317.353 -0.687 30 20 DBED COC(=O)[C@H]1C[C@@H]1C(=O)N(C)CCCN=c1cc[nH]c(C#N)n1 1109416241 WPKHNWVMSISTQM-QWRGUYRKSA-N 317.349 -0.160 30 20 DBED CC(C)C#CC(=O)N[C@@H]1[C@H]2C[C@H]1N(c1ccc3nnnn3n1)C2 1109705848 ONSHFANLZXAKFE-FIXISWKDSA-N 311.349 -0.128 30 20 DBED N#Cc1cnc(NC2(CNC(=O)C[C@@H]3CCNC3=O)CC2)cn1 1110250533 MSZCTQBHBOHCSP-JTQLQIEISA-N 314.349 -0.065 30 20 DBED C[C@]1(NC(=O)CNC(N)=O)CCN(c2ccc(C#N)cn2)C1 1110708628 HJZDUTBFBVNJEF-AWEZNQCLSA-N 302.338 -0.293 30 20 DBED C[C@]1(NC(=O)Cc2nc[nH]n2)CCN(c2cnc(C#N)cn2)C1 1110791564 FNZFEELLRNOYDE-AWEZNQCLSA-N 312.337 -0.206 30 20 DBED N#Cc1c[nH]ccc1=NCCN(CCO)C(=O)[C@@H]1CCCO1 1111412825 HFMASGHJLAFJBI-AWEZNQCLSA-N 304.350 -0.213 30 20 DBED CC(=O)N(C)CC(=O)N(CCO)CCNc1ccc(C#N)nn1 1111441905 NMBHOROQXYDAHB-UHFFFAOYSA-N 320.353 -0.941 30 20 DBED COCC(=O)NC1(CO)CCN(c2nccnc2C#N)CC1 1112644464 JKJRVXCHYFHUFE-UHFFFAOYSA-N 305.338 -0.558 30 20 DBED C[C@@H](N=c1cc[nH]c(C#N)n1)[C@@H](C)NC(=O)Cn1cncn1 1113030492 BSKSNJHMHMVXOO-NXEZZACHSA-N 300.326 -0.633 30 20 DBED C[C@@H](CNC(=O)CCNC(N)=O)N(C)c1nccnc1C#N 1113609105 BROVKIRCQSZBHG-VIFPVBQESA-N 305.342 -0.652 30 20 DBED Cn1[nH]c(CN2C[C@H]3[C@H](NC(=O)C#CC(C)(C)C)[C@H]3C2)nc1=O 1114259951 CSSMQEKUPJNXSL-YABSGUDNSA-N 317.393 -0.296 30 20 DBED C#CCN1C[C@@H]2C(NC(=O)CCCN3C(=O)CCC3=O)[C@H]2C1 1114371886 MRNIMSZIAATAJO-RYUDHWBXSA-N 303.362 -0.405 30 20 DBED C[C@]1(O)CCCN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1 1118949290 YFOXALYIYIWZBA-BBRMVZONSA-N 320.393 -0.441 30 20 DBED N#Cc1cncc(N[C@H](CO)CNC(=O)[C@@H]2CCCOC2)n1 1121203815 AZQWBYAUKPKQEE-PWSUYJOCSA-N 305.338 -0.336 30 20 DBED COC[C@H](OC)C(=O)NC[C@H](CO)N=c1cc(C)[nH]cc1C#N 1122467683 ZQYVYLPGLILFSH-OCCSQVGLSA-N 322.365 -0.766 30 20 DBED CN1C[C@@H](C(=O)NC[C@H](CO)Nc2ncccc2C#N)CC1=O 1122718110 LPONNPVRZABXPY-NWDGAFQWSA-N 317.349 -0.679 30 20 DBED CN(C[C@@H](O)CNc1cnc(C#N)cn1)C(=O)c1ccon1 1124090791 OBBSCROMKOVMFG-JTQLQIEISA-N 302.294 -0.119 30 20 DBED COCCN(CCNC(=O)[C@H](C)OC)c1ccnc(C#N)n1 1126238380 RAMBZRBEEPYGAV-NSHDSACASA-N 307.354 -0.048 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@@H]1CCCc2n[nH]cc21 1127327788 WZUBGKXNWUCTJK-LLVKDONJSA-N 305.382 -0.162 30 20 DBED COCC(=O)N(C)CC(=O)NCCNCc1ccc(C#N)s1 1128619072 MKTWJYWAIGDWPV-UHFFFAOYSA-N 324.406 -0.070 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)C[C@@H]2CCNC2=O)C1=O 1129297785 OPOPLKQFOMBQMK-NWDGAFQWSA-N 308.382 -0.995 30 20 DBED C=C(C)CCN1C[C@@H](F)C[C@@H]1c1n[nH]c(CNC(=O)C(N)=O)n1 1131156888 JXMLKBSHHKDTBU-VHSXEESVSA-N 324.360 -0.043 30 20 DBED CNC(=O)CN1C[C@H]2C[C@@H]3CN(C(=O)C#CC(C)C)C[C@@]3(C1)O2 1131231026 SDGSRYXADIOXAI-CKEIUWERSA-N 319.405 -0.307 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)[C@H](C)NC(=O)CC)CC1 1131362365 XOIAUGAQWHIHQK-ZDUSSCGKSA-N 322.409 -0.815 30 20 DBED N#CCNC(=O)CNCCNC(=O)C[C@@H]1CC[C@H](C2CC2)O1 1131584842 FNOAOLSLJMKREL-QWHCGFSZSA-N 308.382 -0.320 30 20 DBED C[C@H]1CC[C@H](NC(=O)c2cn[nH]c2)CN1CC(=O)NCC#N 1131826267 OOSFUPOQWMUEOC-JQWIXIFHSA-N 304.354 -0.368 30 20 DBED COc1ccc(CNCCNC(=O)[C@H]2CCNC2=O)cc1C#N 1132356055 PZEQMBFJMRJNNN-ZDUSSCGKSA-N 316.361 -0.091 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)c1nccn2ccnc12 1134007473 BILJKFDEELCKIK-LLVKDONJSA-N 316.365 -0.261 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)CCc1nnc(O)nc1O)NCC#N 1134863254 GVXSJTOFNFIALL-DTWKUNHWSA-N 308.342 -0.388 30 20 DBED C=CCn1cc(C(=O)NCCNCc2nnnn2C(C)C)nn1 1134981148 SCLJODHEKPTXQP-UHFFFAOYSA-N 319.373 -0.449 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)CCN(C)CC 1135858505 YVHYTLGLMRDYRX-UONOGXRCSA-N 310.442 -0.050 30 20 DBED Cc1cc(C(=O)N2CC3(CCN(CC(=O)NCC#N)C3)C2)n[nH]1 1147072101 WLWKYYCWZXIEJN-UHFFFAOYSA-N 316.365 -0.494 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1c(OC)ccnc1O 1148018724 GGSYSHPCEFCHTR-SNVBAGLBSA-N 320.349 -0.747 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)c2c(C)nn(C)c2F)C1=O 1149358623 SVMVMAYIOPRBRZ-LLVKDONJSA-N 323.372 -0.026 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@@](C)(NC(C)=O)C(C)C 1152899091 NGVSOXNJNWYZSV-WBMJQRKESA-N 324.425 -0.619 30 20 DBED C=CCO[C@@H](C)C(=O)NCCNCC(=O)NC[C@H]1CCCO1 1153134381 CHBDKWZOPKQZHE-QWHCGFSZSA-N 313.398 -0.422 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)Cn2cccn2)C1=O 1154608788 ZMJAEAVXIRMWFL-CYBMUJFWSA-N 305.382 -0.234 30 20 DBED N#CCNC(=O)CNCCCNC(=O)c1ccnc2ccnn12 1159748285 YURITGPTSGOFMJ-UHFFFAOYSA-N 315.337 -0.921 30 20 DBED C=CCCNCC1(CCNC(=O)c2cn(CC(N)=O)nn2)CC1 1168321118 XTOLFEUUHZHMAC-UHFFFAOYSA-N 320.397 -0.171 30 20 DBED C=CCNC(=O)CNCCCC[C@@H](C)NC(=O)c1cnn(C)n1 1175696904 YYAXROZDHJDHQN-GFCCVEGCSA-N 322.413 -0.005 30 20 DBED C#CCC1(C(=O)N2CC[C@@H](NCC(=O)NC(=O)NC)C2)CCC1 1183185987 ZZRDDFDGFFUWKX-GFCCVEGCSA-N 320.393 -0.174 30 20 DBED C=CCOCCNC[C@@H]1CCN(C(=O)CNC(N)=O)C[C@H]1C 1183822920 OYFIZMYICSBWDD-OLZOCXBDSA-N 312.414 -0.069 30 20 DBED COCC#CCNC[C@@H]1CCN(C(=O)Cn2cnnn2)C[C@H]1C 1183849768 KNCQPFDHLMXODM-KGLIPLIRSA-N 320.397 -0.603 30 20 DBED C=CCNC(=O)CNC[C@H]1CCN(C(=O)c2cnn[nH]2)C[C@@H]1C 1184711807 GWCTYDXDMZCJDH-NWDGAFQWSA-N 320.397 -0.205 30 20 DBED CN(C)CC1(C(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)CC1 1185222432 VXDBFJKPGMIVDZ-GFCCVEGCSA-N 307.398 -0.842 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2cnn(C)n2)C1 1186338679 CTYRIZYRDNFZBK-WDEREUQCSA-N 306.370 -0.690 30 20 DBED C[C@H](NC(N)=O)C(=O)N1C[C@@H](CNCC#N)C2(CCOCC2)C1 1186349508 INNYEXJBYNSWKU-NWDGAFQWSA-N 323.397 -0.588 30 20 DBED C#CCCN(C)[C@@H]1CCN(C(=O)CCS(=O)(=O)NC)C1 1190135222 CJYFFQKNAHWOPF-GFCCVEGCSA-N 301.412 -0.518 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)CCn2cncn2)C1 1191121888 UXRWJRLJPIAWNH-CHWSQXEVSA-N 309.370 -0.968 30 20 DBED CC#CCN(C)[C@@H]1CCN(C(=O)CCCS(N)(=O)=O)C1 1192094263 QJMYNJSDIHWDMC-GFCCVEGCSA-N 301.412 -0.389 30 20 DBED Cc1nc(C)c(C(=O)N2CC[C@@H](N(C)CC(=O)NCC#N)C2)[nH]1 1192397136 KUDGIAOPRYJGSC-GFCCVEGCSA-N 318.381 -0.187 30 20 DBED CC[C@@H](C)NC(=O)CN1C[C@@H](O)[C@H](NC(=O)C#CC2CC2)C1 1192770935 UUVIZQKWDIPXHR-MRVWCRGKSA-N 307.394 -0.524 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN([C@H](C)c2nc(C)no2)C[C@H]1O 1192879391 ZVHKYYAZSTZJFU-RAIGVLPGSA-N 322.365 -0.360 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2coc(C)n2)C[C@H]1O 1192885914 HICCKPZKASKXRK-ZIAGYGMSSA-N 307.350 -0.316 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2cccnn2)C1 1192997886 BCZCZQFUULMMJE-GFCCVEGCSA-N 301.350 -0.628 30 20 DBED C=CCCCN1C[C@@H](O)[C@H](NC(=O)CCCS(C)(=O)=O)C1 1196875175 CZCDBPHISPETTI-CHWSQXEVSA-N 318.439 -0.061 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2cnn(C)n2)C[C@H]1O 1199314648 RXDZIAKYBZECQJ-RAIGVLPGSA-N 309.370 -0.933 30 20 DBED Cc1ncncc1C(=O)N1CCC(NCC(=O)NCC#N)CC1 1199445362 RAJOOSDAQFZSSQ-UHFFFAOYSA-N 316.365 -0.381 30 20 DBED N#CCNC(=O)CNC1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 1200163018 CQVCRSUCZMNQDF-UHFFFAOYSA-N 314.349 -0.280 30 20 DBED C=CCNC(=O)[C@H](C)NC1CCN(C(=O)Cc2nc[nH]n2)CC1 1203278235 XNZFTTQODOENBP-NSHDSACASA-N 320.397 -0.382 30 20 DBED Cn1cncc1C(=O)N1CCC(CNCC(=O)NCC#N)CC1 1205630543 YFIKORKMPQIDIA-UHFFFAOYSA-N 318.381 -0.498 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)COCCC)[C@H](C)C1 1206441834 WBVSLVBVOXVZGF-MGPQQGTHSA-N 309.410 -0.013 30 20 DBED C#CCNCC1CCN(C(=O)CCCN2C(=O)CNC2=O)CC1 1206920709 CCVLCHCJQARKCR-UHFFFAOYSA-N 320.393 -0.220 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)C#CC2CC2)[C@H](C)C1 1206952802 FWFSJWQXCCWPGA-UMVBOHGHSA-N 301.390 -0.026 30 20 DBED C#CCN[C@@H]1CCCN(C(=O)[C@@H](CCC)S(N)(=O)=O)C1 1208759768 UUJAMXQEYZTITC-VXGBXAGGSA-N 301.412 -0.343 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@@H](NC(=O)COC)C(C)C)[C@H](C)C1 1209245863 BTCGJMVCQLGPNJ-NFAWXSAZSA-N 309.410 -0.157 30 20 DBED C=CCCN[C@H]1CCCN(C(=O)c2cn(CC(N)=O)nn2)C1 1211256706 LWORTHFYYYXQMN-NSHDSACASA-N 306.370 -0.466 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(Cc2cn(C)nn2)C[C@H]1OC 1212194862 YWZNRNDACOHHMN-NFAWXSAZSA-N 323.397 -0.542 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)[C@H]2CC2(F)F)[C@H](OC)C1 1212219130 ZOFRXYVNPHSFPZ-GMTAPVOTSA-N 315.320 -0.794 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2nnc(C)o2)C[C@H]1OC 1212258419 SOPURMNCCWKEMK-CYZMBNFOSA-N 322.365 -0.268 30 20 DBED C=CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)COC)C[C@H]1C 1214005032 DGNVSVFQSDIADP-GHMZBOCLSA-N 312.370 -0.919 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CN(CCOCC(F)(F)F)C[C@@H]1O 1219383281 JDRIZYXNUSCVKJ-AEJSXWLSSA-N 309.288 -0.114 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C(C)(C)CCC)C1 1220254098 ISWZIQGQNFMUMI-OLZOCXBDSA-N 309.410 -0.277 30 20 DBED COCC#CCN1CC[C@@H]2CN(C(=O)c3nccnc3N)[C@@H]2C1 1221448500 ALIRTHOSWGBTRE-CHWSQXEVSA-N 315.377 -0.145 30 20 DBED CCN(C)CCC(=O)N1C[C@H]2CCN(CC(=O)NCC#N)C[C@H]21 1221919291 HGHNAJRAYOEGLO-ZIAGYGMSSA-N 321.425 -0.499 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)[C@H]2C[C@@H](C)CO2)CC1 1223854293 GFXXKKOLKOCCTR-UKRRQHHQSA-N 321.421 -0.011 30 20 DBED COCC#CCN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1COC(=O)N1 1225969168 FWVZITQURVCHBM-UPJWGTAASA-N 309.366 -0.238 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)Cc2cc(C)on2)CC1 1226617415 HMVJIJXYRPTMAJ-UHFFFAOYSA-N 318.377 -0.144 30 20 DBED C#CCCN1CCC(NC(=O)COCc2ncnn2C)CC1 1229858295 AYLRKGMMZXGLQJ-UHFFFAOYSA-N 305.382 -0.064 30 20 DBED COC(=O)[C@@H]1CN(C(=O)C(=O)N2CCC[C@@](C)(C#N)C2)CCO1 1261321148 VJJVMNFZHQIGCB-NHYWBVRUSA-N 323.349 -0.461 30 20 DBED CC[C@@H](CCO)NC(=O)NCCN/C(O)=C1\N=CC=CC1=O 1318663906 YZOXTWOSVSSZGF-ZFEMDRMUSA-N 310.354 -0.027 30 20 DBED COCCc1nnc(SCC(=O)NC2(C#N)CCC2)n1N 1322797906 NCLOSLZPJMEENL-UHFFFAOYSA-N 310.383 -0.165 30 20 DBED CC[C@H](C#N)NC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 1324007153 LVWRDJAWNRQWON-HBNTYKKESA-N 313.379 -0.560 30 20 DBED C=CCN(C(=O)C(=O)NCc1nc(O)cc(CN)n1)C1CC1 1327531176 FGAAZNHNJJQAIR-UHFFFAOYSA-N 305.338 -0.566 30 20 DBED C=CCN(C(=O)C(=O)Nc1cnn(CC(N)=O)c1)[C@@H](C)COC 1327612054 LUSRKNUHPNQGOF-JTQLQIEISA-N 323.353 -0.644 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N(CC(C)(C)O)C2CC2)nn1 1329221200 CUYWSLGSXJDWTB-UHFFFAOYSA-N 321.381 -0.158 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](C(F)F)C2)CCO1 1329751814 QSUORIQDCKFIIP-BDAKNGLRSA-N 303.265 -0.770 30 20 DBED C=CCOCCNC(=O)C(=O)N[C@@H]1C[C@H](OCC)[C@H]1OC 1330762292 VBYDKJBKAABEEJ-WOPDTQHZSA-N 300.355 -0.386 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[C@H](O)CC2)CCN1C1CC1 1331445476 VSDAOTITNNBYFK-MRVWCRGKSA-N 320.393 -0.395 30 20 DBED C[C@@H](O)CC(C)(C)CNC(=O)C(=O)N1CC[C@](O)(CC#N)C1 1332243237 IOYNXCWTDJPMFS-IAQYHMDHSA-N 311.382 -0.223 30 20 DBED CNC(=O)[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](C#N)C2)C1 1334963249 PZBCSCPQVSSVGZ-NWDGAFQWSA-N 306.366 -0.267 30 20 DBED C#CCN1CCN(c2nnc([C@@H]3SCCNC3=O)n2C)CC1 1339242810 SYWNXLXNDUMJEI-NSHDSACASA-N 320.422 -0.526 30 20 DBED C=CCN(C(=O)C(=O)N1CC[C@H](O)[C@@H](CO)C1)[C@@H](C)COC 1347005287 ZTXMNWOWKLIVOR-XQQFMLRXSA-N 314.382 -0.762 30 20 DBED C#CCN1CCN(C(=O)[C@@H]2CC23CCS(=O)(=O)CC3)CC1 1352243108 MBCYTBPAMAIAAN-ZDUSSCGKSA-N 310.419 -0.021 30 20 DBED Cc1nnc(NCCc2nnc3n2CCNC3=O)c(C#N)c1C 1364224082 PVUYMTSKWDZZMB-UHFFFAOYSA-N 312.337 -0.045 30 20 DBED CN(CCC#N)C(=O)CCN1CC[C@@H](CS(N)(=O)=O)C1 1364814408 KBPWAAWLZSQUKO-LLVKDONJSA-N 302.400 -0.641 30 20 DBED CCN(CCC#N)S(=O)(=O)N[C@H]1CCc2nnnn2CC1 1364867639 RZOCWQSWYAQTMP-JTQLQIEISA-N 313.387 -0.552 30 20 DBED C[C@H](C#N)C(=O)N1CCC(N(CCO)Cc2nnn(C)n2)CC1 1368895234 JESRBNQGTSVRSI-LLVKDONJSA-N 321.385 -0.845 30 20 DBED C=C(Cl)CNC[C@H](NC(=O)CN1CCNC(=O)C1)C1CC1 1375239096 GPZOMFFLEIHBST-LBPRGKRZSA-N 314.817 -0.345 30 20 DBED CCn1nc(C(=O)NC[C@H](C)NC(=O)[C@H](C)C#N)ccc1=O 1377974370 VSXPRUJXUOLFAZ-ZJUUUORDSA-N 305.338 -0.343 30 20 DBED CCS(=O)(=O)CC(=O)N[C@H]1CCN(C(=O)[C@@H](C)C#N)C1 1385581651 XQZNWCBXFLEXJV-UWVGGRQHSA-N 301.368 -0.702 30 20 DBED C[C@H](C#N)C(=O)NCC1CN(C(=O)[C@@H]2CCCc3nn[nH]c32)C1 1387925575 QNBKBYKZCHXPRL-MWLCHTKSSA-N 316.365 -0.041 30 20 DBED C[C@H](CN(C)C(=O)c1cc(C#N)c[nH]1)NCc1nc(=O)n(C)[nH]1 1394460721 JFQDPCDSFJSJHC-SECBINFHSA-N 317.353 -0.442 30 20 DBED COC(=O)NCC(=O)N(C)C1CCN(C(=O)[C@@H](C)C#N)CC1 1412290564 OQVGWDBAVYAAOB-JTQLQIEISA-N 310.354 -0.049 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](C)CCNC(=O)CCS(C)(=O)=O 1415401031 CPSSABJKLGWANS-VHSXEESVSA-N 303.384 -0.408 30 20 DBED COCC(=O)N1CC[C@](O)(CNC(=O)c2cc(C#N)c[nH]2)C1 1417434238 RFYJVGNZTIKHNI-AWEZNQCLSA-N 306.322 -0.774 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCC(=O)N1)N(C)C(=O)c1cc(C#N)c[nH]1 1426594211 IXVTVNZNMLMSHY-GXSJLCMTSA-N 317.349 -0.258 30 20 DBED C[C@@H](CNC(=O)[C@H](C)C#N)NC(=O)c1cccn2nnnc12 1431828249 OMZNCMTVXVAABD-BDAKNGLRSA-N 301.310 -0.482 30 20 DBED CCN(CCC#N)C(=O)CN1CC(NC(=O)[C@H](C)COC)C1 1443459379 JFFZJHFMZOQAIL-GFCCVEGCSA-N 310.398 -0.169 30 20 DBED C[C@@H](C#N)C(=O)NCCN1CCN(C(=O)[C@@H]2CCCOC2)CC1 1446916774 BUKNITGWPCYKBK-UONOGXRCSA-N 322.409 -0.167 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CN(C)C(=O)CN(C)C1CCC1 1451878619 XAQDJRZYHKILCI-DGCLKSJQSA-N 310.398 -0.434 30 20 DBED CNC(=O)Cn1cc(NC(=O)N2CCN(CCC#N)CC2)cn1 1466037966 SZPNJEZCQQZYRD-UHFFFAOYSA-N 319.369 -0.308 30 20 DBED Cc1cnc(CNC(=O)CCn2cc(C#N)c(O)nc2=O)nc1 1469294481 UOKGZIFOOXDWCK-UHFFFAOYSA-N 314.305 -0.375 30 20 DBED C=C(Cl)CN1CC[C@@H]1CN(C)C(=O)CS(=O)(=O)NC 1479272742 ZSSNMIIHKWMRMU-SNVBAGLBSA-N 309.819 -0.179 30 20 DBED N#C[C@H](C(=O)CSC1CC1)C(=O)N1CCS(=O)(=O)CC1 1516624241 KMKNCLOXOMGIEB-SNVBAGLBSA-N 316.404 -0.152 30 20 DBED C[C@@H](C#N)C(=O)NC[C@]1(C)CCN(C(=O)CN2CCOCC2)C1 1536993299 XKEYCIMWSRULFO-BBRMVZONSA-N 322.409 -0.167 30 20 DBED N#Cc1cccc2c1CN(C(=O)Cn1cnc(-c3nn[nH]n3)n1)C2 1570921955 DBUZBYBNOZISCF-UHFFFAOYSA-N 321.304 -0.128 30 20 DBED N#Cc1ccc(N2CCN(C(=O)[C@H]3C[C@@H]3C(=O)O)CC2)nn1 1571074308 FXRHCNJNFREHLP-QWRGUYRKSA-N 301.306 -0.282 30 20 DBED C=CCN1CC[C@@H](N[C@@H](C)CN(C)C(=O)CNC(=O)O)C1=O 1573369325 YCYFHCSHUKKBCZ-WDEREUQCSA-N 312.370 -0.523 30 20 DBED Cn1cc([C@@H]2CN(C(=O)C#CC3CCNCC3)CCN2)cn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n2cnc(C#N)n2)[C@H](C(=O)O)C1 1598794942 STRFPJKPSQCXHS-BDAKNGLRSA-N 321.293 -0.985 30 20 DBED N#CCCCCS(=O)(=O)N1CCC[C@H]1C(=O)NCC(=O)O 1601065361 CJQHTBLHZUKELG-JTQLQIEISA-N 317.367 -0.325 30 20 DBED N#Cc1ccc(O[C@H]2CCN(CCC(=O)NCC(=O)O)C2)nc1 1601109119 FZODQXMXILJOBK-LBPRGKRZSA-N 318.333 -0.003 30 20 DBED CCCn1cc(C(=O)N[C@@H]2CCN(CC(=O)NCC#N)C2)cn1 1661024546 QHYPRCDEALULHO-CYBMUJFWSA-N 318.381 -0.263 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC[C@H](NC(=O)c2cn(C)c(O)n2)C1 1713829577 GLDZFUBKJJERKC-MNOVXSKESA-N 321.381 -0.380 30 20 DBED C#CCCN1CCN(CCCNC(=O)CO[C@H]2CCOC2)CC1 1752343108 IHJLTZWNUUMOGO-INIZCTEOSA-N 323.437 -0.061 30 20 DBED N#CCN1CCN(CCNC(=O)C23CCCN2CCC3)CC1 1752367325 MQUPSQBIPVQXOX-UHFFFAOYSA-N 305.426 -0.128 30 20 DBED CCCN(CC#N)CCNC(=O)CN1CCCCS1(=O)=O 1753146497 XNJFPGOQCGQIHK-UHFFFAOYSA-N 316.427 -0.236 30 20 DBED C=CCNC(=O)[C@@H](C)NCCN(C)C(=O)[C@@H](C)S(C)(=O)=O 1753203891 CQOCWWUQAWQALO-GHMZBOCLSA-N 319.427 -0.842 30 20 DBED C=CCNC(=O)CN1CC[C@@H](N(C)C(=O)[C@H](C)NC(=O)CC)C1 1753436778 NHGZRATZDKHPOC-QWHCGFSZSA-N 324.425 -0.264 30 20 DBED C#CCCN1CC[C@@H](N(CC)C(=O)CN2C(=O)CN(C)C2=O)C1 1753462296 VIEPYYSVCUPYKJ-CYBMUJFWSA-N 320.393 -0.174 30 20 DBED CS(=O)(=O)NCCC(=O)N1CCCC[C@H]1CCNCC#N 1753777215 OHLPLEMVGNTUSK-LBPRGKRZSA-N 316.427 -0.190 30 20 DBED COCC#CCNC[C@H]1[C@@H](C)CCCN1C(=O)CCNC(N)=O 1753813790 MMYRJEUDIYXLBS-KBPBESRZSA-N 324.425 -0.089 30 20 DBED C#CCCNC[C@@H](O)CNC(=O)[C@H]1CCCN(C(=O)C2CC2)C1 1753918736 BMRISPMBYYYKTQ-LSDHHAIUSA-N 321.421 -0.275 30 20 DBED N#CCNC(=O)CNC[C@H](O)CNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]21 1753921928 NAUPTAYZZKWPKU-XDQVBPFNSA-N 322.409 -0.481 30 20 DBED C#CCNC[C@@H](NC(=O)CCn1cc[nH]c(=O)c1=O)C1CC1 1754453681 AOTIEQLKHWOZBP-GFCCVEGCSA-N 304.350 -0.956 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CNC(=O)COC1CCCC1 1754472702 BZBWAWHEDUZALH-CYBMUJFWSA-N 307.394 -0.115 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@](C)(NC(=O)CNC(=O)OC)C1 1754666708 DVBOSKPWRKCVSR-ABAIWWIYSA-N 324.381 -0.939 30 20 DBED C=CCOCCN1CC[C@@](O)(CNC(=O)Cn2cccn2)C1 1754747756 RXFXUOVBSVUKSR-OAHLLOKOSA-N 308.382 -0.361 30 20 DBED C=CCNC(=O)CN[C@H]1CN(C(=O)c2cccnn2)C[C@@H]1C 1755118300 PFEBPWVDSAMWLY-AAEUAGOBSA-N 303.366 -0.171 30 20 DBED C#CCN[C@@H](CCN(C)C(=O)[C@H]1CCS(=O)(=O)N1)C(C)C 1755343053 PORUROWQHMNWMX-QWHCGFSZSA-N 315.439 -0.226 30 20 DBED C#CCN[C@H](C)[C@H]1CN(C(=O)c2ccn3nnnc3c2)CCO1 1755446147 RRMXVJFIQKHDNG-DGCLKSJQSA-N 314.349 -0.423 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@H](C)N(C(=O)c2cnc(C)n2C)C1 1755680531 FVGPJFMMUZJKAL-AAEUAGOBSA-N 317.393 -0.329 30 20 DBED C=C(C)CCN[C@@H]1C[C@@H](C)N(C(=O)c2cn(CC(N)=O)nn2)C1 1755691742 AXNHMXMXTOKIHP-VXGBXAGGSA-N 320.397 -0.078 30 20 DBED C=CCCC(=O)N(C)[C@@H](C)CNC(=O)c1cn(CC(N)=O)nn1 1756036822 XWGJUUODWLWTOG-JTQLQIEISA-N 322.369 -0.694 30 20 DBED C[C@H](C(=O)N[C@@H](CO)CNC(=O)C#CC1CC1)c1cnn(C)c1 1756520036 SUTZBLQWOOHVEV-SMDDNHRTSA-N 318.377 -0.470 30 20 DBED C=CCC(C)(C)C(=O)N[C@@H](CO)CNC(=O)[C@@H]1CCNC1=O 1756539968 IISAXLIQLDHSBM-GHMZBOCLSA-N 311.382 -0.682 30 20 DBED COCCN(CCC#N)S(=O)(=O)NC1CC(C(=O)O)C1 1777210131 QIPPBWPTYBCKGR-UHFFFAOYSA-N 305.356 -0.454 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)CCc1cn[nH]c1)CCO2 1783047764 GYICFUPFEFUBHP-INIZCTEOSA-N 316.361 -0.195 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CC)NC(C)=O 1792538907 SOCSOFILRKMTHP-QVHKTLOISA-N 321.377 -0.876 30 20 DBED CC(C)(C#N)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](N)CN 1796778531 IXYXHHAWGLYFPG-USZNOCQGSA-N 307.398 -0.540 30 20 DBED N#CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1nccn1 1800244047 PYLJJYILJPRORG-ZSBIGDGJSA-N 302.338 -0.170 30 20 DBED CCOC(=O)N[C@@H](O)C(=O)N1CCCC12CN(C(=O)CC#N)C2 1844157131 VVXKCUBCYJCDOY-NSHDSACASA-N 324.337 -0.832 30 20 DBED C[C@@H]1CN(S(=O)(=O)N2CCN(CC#N)CC2)C[C@@H](C)O1 73614691 QMWTXNHSXDYXKJ-VXGBXAGGSA-N 302.400 -0.518 30 20 DBED C[C@H](Nc1c(C#N)c(=O)n(C)c(=O)n1C)[C@H]1CN(C)CCO1 154853003 SHMFSVKFHBDRFK-GXSJLCMTSA-N 307.354 -0.913 30 20 DBED N#C[C@@H]1COCCN1C(=O)CCn1nnc2ccccc2c1=O 173121976 BFPCPPDKHOTQKM-LLVKDONJSA-N 313.317 -0.067 30 20 DBED N#Cc1ccc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)O)s1 230322628 WSEJZGVNHDSLTG-HTRCEHHLSA-N 302.333 -0.172 30 20 DBED C/N=C(/NC[C@@H]1COCCO1)N1CCC(CC(=O)NC)CC1 261760283 MWFHTUQUAVXCCW-CYBMUJFWSA-N 312.414 -0.175 30 20 DBED CNC(=O)C1CN(C(=O)C(=O)N2CCc3ccc(C#N)cc32)C1 274561090 WIZKBBCNEWYUFX-UHFFFAOYSA-N 312.329 -0.348 30 20 DBED C#CCN(C)C(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1 276724198 BPSLERUTARHWMF-AWEZNQCLSA-N 307.394 -0.209 30 20 DBED C#CCn1ccc(CN(CC)Cc2cc(=O)n(C)c(=O)n2C)n1 279728261 MWQWTKQGFLQCTN-UHFFFAOYSA-N 315.377 -0.064 30 20 DBED C#CCN(C)CCCNS(=O)(=O)c1cc(C(=O)O)n(C)c1 328075428 FNOCELUGDCXLEN-UHFFFAOYSA-N 313.379 -0.043 30 20 DBED CC(C)(C)n1ncnc1C/N=C(/O)NCC(=O)N1CCOCC1 328638784 DLATXAFUZYVEDN-UHFFFAOYSA-N 324.385 -0.105 30 20 DBED O=C(NCC/N=C(/O)N1CCN(C2CC2)C(=O)C1)c1cc[nH]n1 328826064 QCRHDMPJAOTTIU-UHFFFAOYSA-N 320.353 -0.640 30 20 DBED C[C@H](CS(C)(=O)=O)/N=C(/O)N1CCO[C@H](CN(C)C)C1 330830875 JBKXTGAEPOJPSU-GHMZBOCLSA-N 307.416 -0.404 30 20 DBED N#C[C@H]1CN(S(=O)(=O)NC[C@@H]2CCN(C3CC3)C2)CCO1 336909756 HGKODGJUIFXWAF-AAEUAGOBSA-N 314.411 -0.471 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CCOC[C@H]1C[C@H](C)O 336948028 PZWPHMVJVOJTQH-NWDGAFQWSA-N 305.400 -0.062 30 20 DBED CCC(CC)(NS(=O)(=O)N1CCO[C@@H](C#N)C1)C(=O)OC 337099511 UOCDRDBUKYAHPH-JTQLQIEISA-N 319.383 -0.223 30 20 DBED C=CCNC(=O)CN1CCN(CCN2CCOC[C@@H]2C)CC1 337143526 YOFUUMVVFQDTLZ-HNNXBMFYSA-N 310.442 -0.373 30 20 DBED C=CCN1CC[C@H](N(CCOC)[C@H]2CCS(=O)(=O)C2)C1=O 337191260 TUUQYFPGGAOQPJ-STQMWFEESA-N 316.423 -0.091 30 20 DBED C=CCCOCCNS(=O)(=O)CCNS(=O)(=O)CC 339783188 JKJUNCUZZHVGAB-UHFFFAOYSA-N 314.429 -0.562 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCc2cnn(C)c2C)C1=O 340345389 YQJXIVJXQRJFQD-UHFFFAOYSA-N 319.321 -0.678 30 20 DBED C=CCNC(=O)CNS(=O)(=O)c1cc(C(=O)OC)oc1C 346571189 WJSJVXCTRRKTSY-UHFFFAOYSA-N 316.335 -0.045 30 20 DBED CC(C)n1cnc(S(=O)(=O)NCCn2cnc(C#N)n2)c1 352634022 VLPJVUDYRUSBSF-UHFFFAOYSA-N 309.355 -0.094 30 20 DBED CNC(=O)CC(=O)N1C[C@H](C#N)[C@]2(C1)C(=O)Nc1ccccc12 356992648 YTWZVOXACWDMRH-QFYYESIMSA-N 312.329 -0.005 30 20 DBED Cc1cccc2c1N(C(=O)C(=O)NCC(=O)NCC#N)CC2 357292288 QDBHAFGJBZPNNS-UHFFFAOYSA-N 300.318 -0.360 30 20 DBED C=C[C@H](CO)NC(=O)N[C@H]1CCC[C@H]1CNS(C)(=O)=O 359099439 HBCBVEPWPGOGBB-AXFHLTTASA-N 305.400 -0.450 30 20 DBED COc1cc(C#N)ccc1S(=O)(=O)N(CCO)CCO 361978804 NFYPNZAKGDLCOK-UHFFFAOYSA-N 300.336 -0.458 30 20 DBED Cn1ccnc1[C@@H]1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)C1 366741519 WWRCMWTVNMLVTB-SNVBAGLBSA-N 314.349 -0.317 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H](CN)CCCC)C1=O 420115823 FRCCTPPIEYVWFQ-OLZOCXBDSA-N 324.425 -0.135 30 20 DBED C=CCn1cc(CNC(=O)NCCCN2CCOCC2)nn1 425639368 YNFLSEZBFDQJRT-UHFFFAOYSA-N 308.386 -0.014 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)C[C@@H](C)CC(=O)OC)CC1 491228920 DECWXCDIVFTSPA-CYBMUJFWSA-N 323.393 -0.531 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CCOC[C@H]2C)CC1 491505093 KKHCUGAPUZJKGL-HUUCEWRRSA-N 321.421 -0.057 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CCO[C@H]2C=C)CC1 491775399 FIVQNAPTWAYYKX-KGLIPLIRSA-N 305.378 -0.529 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N1CC(C)(C)OC[C@H]1C(=O)O 572411094 BYMDTIWBJFDILZ-ZJUUUORDSA-N 319.383 -0.113 30 20 DBED COC(=O)C[C@H](NS(=O)(=O)c1ccsc1C#N)C(=O)O 593255215 FDSJBIUYWMILGU-LURJTMIESA-N 318.332 -0.086 30 20 DBED C[C@H]1CO[C@H](C)CN1C(=O)C(=O)N1CCN(CCC#N)CC1 601431961 UUYXFLCWPSLDMP-QWHCGFSZSA-N 308.382 -0.320 30 20 DBED CC(C)[C@H](C#N)N1CCN(C(=O)c2nccnc2C(N)=O)CC1 610425228 PRULSQITFGMAGC-NSHDSACASA-N 316.365 -0.119 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)Cc2ncc(CC)[nH]2)CC1 635156597 MBMMLUIYOIKNLG-UHFFFAOYSA-N 319.409 -0.039 30 20 DBED C=CCN1CCC(NC(=O)C(=O)N2CCNC(=O)C[C@@H]2C)CC1 672355683 UNWDYXPOUZEFDN-LBPRGKRZSA-N 322.409 -0.510 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)c2cccnc2O)CC1 746869025 PVRYRZJWOXKREJ-UHFFFAOYSA-N 316.361 -0.316 30 20 DBED C#CCOCCC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 755557202 ZRXCFSJWDBKKEW-UHFFFAOYSA-N 321.377 -0.681 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)OCc2nccc(C)n2)C1=O 756179239 UBNVUSPUQPQTMX-UHFFFAOYSA-N 318.289 -0.195 30 20 DBED C#CCOc1ccc(NC(=O)C(=O)N2C[C@@H](O)C[C@H]2CO)cc1 785340235 KDGOZWVDTLNTFI-STQMWFEESA-N 318.329 -0.409 30 20 DBED COC[C@@H](C#N)OC(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1 785367335 QDGPEYSPIGMLGX-RKDXNWHRSA-N 316.339 -0.831 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@@H](C)CN1CCOCC1)[C@@H]1CCCO1 787758183 NECXYXXNXJBYIE-IHRRRGAJSA-N 323.393 -0.880 30 20 DBED C#C[C@@H](CCC)NC(=O)NCCS(=O)(=O)N1CCOCC1 791022042 GERGFAQAMJXPCY-LBPRGKRZSA-N 317.411 -0.251 30 20 DBED C#CCONC(=O)Cc1cc(F)c(OC)c(S(N)(=O)=O)c1 812786989 YAFCRBCDHYXZPV-UHFFFAOYSA-N 316.310 -0.295 30 20 DBED CCOC(=O)CON=C(C(=O)Nc1cnn[nH]1)c1cc[nH]n1 818026847 ZLCGUFCSFKLMDE-UHFFFAOYSA-N 307.270 -0.550 30 20 DBED CN(C)CCN(CC(=O)O)C(=O)CNc1ccc(C#N)cn1 820539085 FWIHOIRIUSGQMV-UHFFFAOYSA-N 305.338 -0.160 30 20 DBED C#CC[C@H](NC(=O)[C@H]1CNC(=O)C[C@@H]1C(F)(F)F)C(=O)OC 823519088 KZJHHYGIZKCCCO-CIUDSAMLSA-N 320.267 -0.018 30 20 DBED N#CCN1CCN(C(=O)C(F)(F)C(=O)N2CCOCC2)CC1 826718734 FWXNKGGRZIBBFT-UHFFFAOYSA-N 316.308 -0.852 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)NCCC1(C)OCCO1 828253872 ABMXNPCSSQMXJU-UHFFFAOYSA-N 312.366 -0.246 30 20 DBED C#CCOc1cccc(NC(=O)C(=O)NCCNCCOC)c1 841202742 HOXGAYARRVNPQQ-UHFFFAOYSA-N 319.361 -0.011 30 20 DBED C=CCN(CC=C)C(=O)[C@@H](C)OC(=O)C1(S(N)(=O)=O)CC1 845207265 XXSYIZKJSZNXQM-SNVBAGLBSA-N 316.379 -0.060 30 20 DBED C#C[C@H](C)NS(=O)(=O)CCCS(=O)(=O)N(C)CC#N 848965798 XIPUGQARJNXQJC-JTQLQIEISA-N 307.397 -0.897 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)[C@H]1CNC(=O)C[C@@H]1C(F)(F)F 873456859 VKOCCPFSXUVHQA-CIUDSAMLSA-N 320.267 -0.018 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)NCc1cnnn1CC 875474663 CGYPRAJELGNPCX-LLVKDONJSA-N 307.354 -0.541 30 20 DBED C#CC[C@@H](CO)NS(=O)(=O)N1CCC[C@H](C(=O)OCC)C1 882342718 HJYAKUQXUDKVDD-RYUDHWBXSA-N 318.395 -0.520 30 20 DBED C#CCN1CCC[C@@H](NS(=O)(=O)C[C@@H](COC)OC)C1 885509218 PZIRLIOTEKDOJM-CHWSQXEVSA-N 304.412 -0.335 30 20 DBED C#CC[C@H](CO)NC(=O)NC1CCN(CC(=O)NCCC)CC1 914115480 BRYBTKNUYIVILG-CQSZACIVSA-N 324.425 -0.340 30 20 DBED CC#CCN1C[C@H](O)[C@H](CNC(=O)c2ccc(C(N)=O)[nH]2)C1 958409538 UPSBZRWBNQMHEW-MFKMUULPSA-N 304.350 -0.841 30 20 DBED C#CCCN1C[C@H](O)[C@H](CNC(=O)c2conc2COC)C1 958585402 YHNATRQGIGWDCO-RISCZKNCSA-N 307.350 -0.133 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2ccc(C(=O)NC)nc2)C1 958597488 DTHLETICXVLWKS-TZMCWYRMSA-N 316.361 -0.903 30 20 DBED C#CCN1CCC(C(=O)N(C)[C@H]2CN(C(=O)CC)C[C@@H]2O)CC1 958869042 MTJGFFBSDXKUAJ-GJZGRUSLSA-N 321.421 -0.228 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2n[nH]cc2F)C1 958951527 FSAKQJJHSXZZBA-HGNGGELXSA-N 309.301 -0.648 30 20 DBED C[C@H]1CN(C(=O)C(N)=O)C[C@H]1CNC(=O)c1c[nH]c(C#N)c1 959575105 FWVYEPKMAJSCBR-WCBMZHEXSA-N 303.322 -0.804 30 20 DBED Cn1cc(C(=O)N2CC[C@@]3(CN(CC#N)CCO3)C2)ccc1=O 972450664 XLANAPXCILEOBN-MRXNPFEDSA-N 316.361 -0.174 30 20 DBED C[C@@H](C#N)C(=O)N1[C@H]2CC[C@H]1CC(NC(=O)c1nnn(C)n1)C2 973646076 SOOYYAONZUJVAB-LSJOCFKGSA-N 317.353 -0.378 30 20 DBED C=CCN1CC[C@@H](N2C[C@H](NC(=O)C(N)=O)C(C)(C)C2)C1=O 974990413 AQHCSJGTEGJJKT-MNOVXSKESA-N 308.382 -0.915 30 20 DBED C#Cc1cncc(C(=O)N(C)C[C@@H]2CCN(C(=O)C(N)=O)C2)c1 988276294 PNJIFAGOZCXEAD-LBPRGKRZSA-N 314.345 -0.531 30 20 DBED C[C@H]1[C@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)CCCN1CC#N 994338518 OSJJQACFYNZODX-WDEREUQCSA-N 321.381 -0.191 30 20 DBED CC1(C)CN(C(=O)[C@@H]2Cc3cncn3C(=O)N2)C[C@@H]1NCC#N 996074762 NNWGQCMQGNPLEP-RYUDHWBXSA-N 316.365 -0.284 30 20 DBED O=C(C#CC1CC1)N1CCC(NCC(=O)N2CCOCC2)CC1 996394630 QJQKLPYUKWNKGJ-UHFFFAOYSA-N 319.405 -0.161 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)Cn2ccnc2)C1 1000016747 HBSJXGQOIFNCNW-OLZOCXBDSA-N 304.350 -0.199 30 20 DBED Cn1nnc(CN2CCC(NC(=O)c3c[nH]c(C#N)c3)CC2)n1 1002640193 XYSSGAFTQYHLMK-UHFFFAOYSA-N 314.353 -0.196 30 20 DBED C=C(C)CCN1CCC(NC(=O)CN2CCNC(=O)C2)CC1 1003424141 QHDHYIJTBPVWAC-UHFFFAOYSA-N 308.426 -0.035 30 20 DBED C#Cc1ccc(C(=O)NCC2CN(C(=O)Cn3cncn3)C2)nc1 1003468358 QINUECVUCVXALG-UHFFFAOYSA-N 324.344 -0.457 30 20 DBED C#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)C(N)=O)nc1 1005658131 BAMRYPXWHRFXJT-RTXFEEFZSA-N 312.329 -0.590 30 20 DBED CC1(C)CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)[C@H]1CNC(=O)N1 1008517276 SHZWCMYFBHKRMQ-VXGBXAGGSA-N 318.377 -0.566 30 20 DBED C[C@H]1C[C@@H](NC(=O)c2cn(C)nn2)CN1C(=O)C#CC1CC1 1012583355 YPPFWIVZLMBOFI-CMPLNLGQSA-N 301.350 -0.052 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(C1)CN(C(=O)[C@H]1CN(C)C(=O)N1)C2 1019254440 IJJQDQVFHVJJLL-WDEREUQCSA-N 319.365 -0.769 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCN(C(=O)[C@H]3CCCC(=O)N3)C2)C1 1019366918 LXHZKLIFFLVEOU-NWDGAFQWSA-N 318.377 -0.124 30 20 DBED C[C@H](C#N)C(=O)N1CCC2(CN(C(=O)CCc3cnn[nH]3)C2)C1 1019455422 SZBQSSYGVJPGKJ-LLVKDONJSA-N 316.365 -0.042 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)Cn2cnnc2O)[C@@H]1C 1020535665 OCDCNJIVUMMSQM-GUBZILKMSA-N 306.326 -0.751 30 20 DBED Cc1nccc(C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2O)n1 1023826657 KUZQUMKZNJEOJF-ZIAGYGMSSA-N 314.345 -0.500 30 20 DBED C#CCN[C@@H]1CC[C@H]2CN(C(=O)Cn3ccc(O)nc3=O)C[C@H]21 1026306624 ODCDQTFAKYKJHF-YNEHKIRRSA-N 316.361 -0.591 30 20 DBED CC(=O)N1CCO[C@@H](C(=O)N2CCC[C@H](N(C)CC#N)C2)C1 1027666743 JALUBOXZQCWVOA-UONOGXRCSA-N 308.382 -0.320 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)c3cc(C)ncn3)C2)C1=O 1030231148 GNRLAQDBULDJHH-CQSZACIVSA-N 315.377 -0.014 30 20 DBED N#Cc1ccccc1CN1CC(NC(=O)C2CS(=O)(=O)C2)C1 1030368449 MUISXZUBCRWOHF-UHFFFAOYSA-N 319.386 -0.097 30 20 DBED C=CCN1C[C@@H]2C[C@H]1CN2C(=O)CCn1cc[nH]c(=O)c1=O 1032686558 YOOWIXIEBDUTEA-RYUDHWBXSA-N 304.350 -0.602 30 20 DBED N#CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C1CC1)N1CCOCC1 1032794049 MQNFTKLTUAUSJR-KKUMJFAQSA-N 304.394 -0.094 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)c2cc(C(N)=O)cn2C)C1 1035434851 HCWRLHAJZCMEGI-LBPRGKRZSA-N 304.350 -0.812 30 20 DBED C#CCN1CCO[C@H](CNC(=O)[C@H]2COCCN2CCCC)C1 1035458289 HMVRUKIFEMGLHY-HZPDHXFCSA-N 323.437 -0.063 30 20 DBED N#CCN1CCO[C@H](CNC(=O)c2noc3c2COCC3)C1 1035610673 NXFCSPCOGUBSNF-SNVBAGLBSA-N 306.322 -0.299 30 20 DBED C[C@H](C#N)C(=O)N1CCC2(CC1)CN([C@H]1CCC(=O)NC1=O)C2 1035671551 SRBXOBBDRRZETR-NEPJUHHUSA-N 318.377 -0.124 30 20 DBED C[C@H]1CN(C(=O)CN2CCN(C)C(=O)C2)CC[C@@H]1NCC#N 1036083568 YOYXQDMVPOJTPR-STQMWFEESA-N 307.398 -0.889 30 20 DBED Cn1cc(C(=O)N2CC[C@H]3[C@H](CCN3CC#N)C2)ncc1=O 1036775890 BWJLDVYTRDAUFR-YPMHNXCESA-N 301.350 -0.160 30 20 DBED CC[C@H]1CN(C(=O)CN2CCNC(=O)C2)CC[C@H]1NCC#N 1037890981 LGKDLFSOMFFZNC-QWHCGFSZSA-N 307.398 -0.842 30 20 DBED C[C@@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)c2cccnc2)C1 1040763022 MZGYTMGGCADYRI-XHDPSFHLSA-N 302.334 -0.066 30 20 DBED Cc1ccc(C(=O)NCC2(O)CN(C(=O)[C@H](C)C#N)C2)n1C 1041454535 YFEBAISMUZUPJH-SNVBAGLBSA-N 304.350 -0.204 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)c2cnns2)C1 1041697266 ABEUHYZKWBNHPI-UHFFFAOYSA-N 308.363 -0.499 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)[C@@H](CC)OC)C1 1041914061 TWLIDNPDMLTFOM-NWDGAFQWSA-N 312.366 -0.861 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)CN(CC)CC)C1 1042039871 KKURTVCASQHMPE-UHFFFAOYSA-N 313.398 -0.780 30 20 DBED Cc1ccc(=O)n(CC(=O)N2CC[C@H]3CCN(CC#N)[C@H]3C2)n1 1042321374 DNDLMZLOROIDKI-KGLIPLIRSA-N 315.377 -0.002 30 20 DBED CC(C)(C)C#CC(=O)NCC1(O)CN(C(=O)c2cn[nH]c2)C1 1042965482 AILZHWLJFGOEJV-UHFFFAOYSA-N 304.350 -0.238 30 20 DBED Cn1ncc(C(=O)N2CC(O)(CNC(=O)C#CC(C)(C)C)C2)n1 1042966555 ZMBJQYARZOSHPU-UHFFFAOYSA-N 319.365 -0.832 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)[C@@H](C)OCC)C1 1043033255 VIEOQPDVUYDVRG-GFCCVEGCSA-N 312.366 -0.859 30 20 DBED C=CCC(C)(C)C(=O)NCC1(O)CN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 1043062048 TWHDPELYTVTOMP-MNOVXSKESA-N 323.393 -0.600 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)C[C@H]2CCC(=O)NC2)C1 1043360078 PFHSGEXYOJSDMS-GFCCVEGCSA-N 323.393 -0.442 30 20 DBED Cc1c[nH]c(C(=O)N[C@@H]2CN(c3ccc(C#N)cn3)C[C@@H]2O)n1 1044633484 LEXHZDCPNMCKIA-NEPJUHHUSA-N 312.333 -0.036 30 20 DBED C#CCN[C@H]1CCN(C(=O)Cn2ccc(O)nc2=O)[C@@H](C)C1 1044668137 TUJCKPIOTROWLN-RYUDHWBXSA-N 304.350 -0.449 30 20 DBED C=C[C@H](CC)CC(=O)NCC1(O)CN(C(=O)c2ncn(C)n2)C1 1045064480 SQVCCZMPQFSAHW-LLVKDONJSA-N 321.381 -0.280 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)CCn2cccc2)C1 1045546936 SSCMTMKJWBWBFL-LBPRGKRZSA-N 304.350 -0.273 30 20 DBED COc1nc(C(=O)N2CC(O)(CNC(=O)[C@H](C)C#N)C2)co1 1045559835 QETCHOYWLGXYGK-MRVPVSSYSA-N 308.294 -0.854 30 20 DBED C=C[C@](C)(CC)C(=O)NCC1(O)CN(C(=O)Cn2cncn2)C1 1045783206 RPLCENUHNYDSRP-CQSZACIVSA-N 321.381 -0.430 30 20 DBED C[C@@H](O)CN1CC[C@H](N2CCN(C(=O)C#CC3CC3)CC2)C1 1046028020 VZNCSRWVAIFZSF-ZBFHGGJFSA-N 305.422 -0.001 30 20 DBED CN(C(=O)c1cccc(C(N)=O)c1)[C@H]1CN(CC#N)C[C@@H]1O 1047433192 CKEBEWRHHDFFBT-STQMWFEESA-N 302.334 -0.574 30 20 DBED C=CCN1C[C@H]2CN(C(=O)Cn3ccc(=O)n(C)c3=O)C[C@H]2C1 1048850279 BZQUZHCNYKWKMW-BETUJISGSA-N 318.377 -0.877 30 20 DBED C=CCCCC(=O)N(C)[C@H]1CN(C(=O)[C@H]2CNC(=O)N2)C[C@@H]1O 1049360862 LWNBUFGZFVTEBP-WOPDTQHZSA-N 324.381 -0.946 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2COCCN2CCCO)nc1 1051215708 ZFSCLQQIUDPLMW-AWEZNQCLSA-N 303.362 -0.124 30 20 DBED C=CCOCC(=O)N[C@@H](C)[C@@H]1CCN(C(=O)Cn2cncn2)C1 1051638628 RWQDIXYQISILKT-QWHCGFSZSA-N 321.381 -0.166 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](N2CCN(CC(=O)N(C)C)CC2)C1 1051998526 VIYUYLUEZDHEMN-KGLIPLIRSA-N 321.425 -0.547 30 20 DBED C=CCN1CCN([C@H]2CCN(C(=O)Cn3cncn3)C2)CC1 1052114813 QDHAILDNQRFFKC-AWEZNQCLSA-N 304.398 -0.317 30 20 DBED C#CCN1CC2(CC[C@H](CNC(=O)[C@H]3CCC(=O)NC3)O2)C1 1053620267 JBHCDDRUABIQER-QWHCGFSZSA-N 305.378 -0.505 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)c3cnc4[nH]nnc4c3)CO2)C1 1053830464 BZHIZGCGZZXKMT-LLVKDONJSA-N 312.333 -0.441 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)c3cn(C)nc3OC)CO2)C1 1053891769 YKWSUIFCHYAHLX-LLVKDONJSA-N 304.350 -0.365 30 20 DBED N#Cc1nccnc1N1C[C@@H]2CCC[C@]2(NC(=O)C(N)=O)C1 1055573731 VIQQUKDGMDLCNQ-XPTSAGLGSA-N 300.322 -0.691 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@](CO)(NC(=O)Cn2ccnc2)C1 1055996523 FQAHRKUXWMIPLA-SWLSCSKDSA-N 319.365 -0.488 30 20 DBED C[C@@H](C#N)C(=O)N[C@@]1(CO)CCCN(C(=O)c2ccon2)C1 1056092580 BRTDASOAHUJAKA-HZMBPMFUSA-N 306.322 -0.082 30 20 DBED CC(C)N(C)CC(=O)N1CCC[C@@](CO)(NC(=O)[C@@H](C)C#N)C1 1056095779 DJBDBUCWMXAILQ-XJKSGUPXSA-N 324.425 -0.044 30 20 DBED Cn1nccc1CC(=O)N[C@H]1[C@@H]2CN(c3ccnc(C#N)n3)C[C@@H]21 1056173364 OWXSBFUQUJBOJK-ATCWAGBWSA-N 323.360 -0.125 30 20 DBED N#Cc1nccc(N2C[C@@H]3C(NC(=O)Cn4cncn4)[C@H]3C2)n1 1056217646 PHVRBLYSWYTSIZ-UWVGGRQHSA-N 310.321 -0.809 30 20 DBED CN(c1cncc(C#N)n1)[C@H]1CCN(C(=O)[C@@H]2COCCO2)C1 1056868425 DCMNGHDDZTVEOM-STQMWFEESA-N 317.349 -0.199 30 20 DBED C=CCCCC(=O)NCCN(CCO)C(=O)[C@H]1CCC(=O)N1 1057202894 FHJSLSXUJQMHBF-GFCCVEGCSA-N 311.382 -0.442 30 20 DBED N#Cc1nccc(N2CC[C@H](NC(=O)[C@H]3COCCO3)C2)n1 1058305092 PLXYRODWLFSNFO-WDEREUQCSA-N 303.322 -0.541 30 20 DBED N#Cc1nc(=N[C@H]2CCN(C(=O)[C@H]3CCC(=O)NC3)C2)cc[nH]1 1059114182 HFQZEHWTZWQXMC-QWRGUYRKSA-N 314.349 -0.691 30 20 DBED N#Cc1nc(=N[C@H]2C[C@@H](NC(=O)CN3CCCC3=O)C2)cc[nH]1 1059570376 BWNAWOODERKWLX-PHIMTYICSA-N 314.349 -0.548 30 20 DBED N#Cc1nc(=N[C@@H]2CC[C@H]3CN(C(=O)CC(N)=O)C[C@@H]32)cc[nH]1 1060524017 SZRGFFDQQGKTJK-GARJFASQSA-N 314.349 -0.706 30 20 DBED C=CCCC(=O)N1CCOC[C@H]1CNC(=O)[C@H]1COCCO1 1061323944 UTMGLMBBKFSVTQ-CHWSQXEVSA-N 312.366 -0.288 30 20 DBED C=C(C)CCC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1CCNC1=O 1061633711 YEKUVGHECIYEEE-QWHCGFSZSA-N 323.393 -0.178 30 20 DBED N#Cc1ccc(N2CC[C@H](CNC(=O)[C@@H]3CNC(=O)N3)C2)nc1 1061718198 SHSMSVDQGVMPAJ-NEPJUHHUSA-N 314.349 -0.423 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CN(C(=O)C2=COCCO2)CCO1 1064801379 QEDCDHBRURYLPS-WDEREUQCSA-N 309.322 -0.622 30 20 DBED C#CCOCCC(=O)N(C)CCCN(C)C(=O)Cn1cnnn1 1066787517 DSIQKYSKJJYQAZ-UHFFFAOYSA-N 322.369 -0.980 30 20 DBED C[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@@H]1N=c1cc[nH]cc1C#N 1067186039 BNISBBADTHJSBI-MFKMUULPSA-N 313.361 -0.101 30 20 DBED C=CCCC(=O)N1CC2(C1)CN(C(=O)[C@@H]1COCCO1)CCO2 1068313274 FCOSUQLVVSNQFJ-ZDUSSCGKSA-N 324.377 -0.192 30 20 DBED N#Cc1ccc(NC[C@H]2C[C@H](NC(=O)[C@H]3CNC(=O)N3)C2)nc1 1068573478 QISYQBGMDRZNHO-IJLUTSLNSA-N 314.349 -0.059 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@@H](NC(=O)[C@H]2CCOC2)C1 1070636042 GVONJDURUYNAQV-QWHCGFSZSA-N 321.377 -0.730 30 20 DBED CC#CCN1CCNC(=O)CCN(C(=O)c2cn(C)cn2)CC1 1070956070 HBGVENRMOHMSGF-UHFFFAOYSA-N 317.393 -0.293 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)[C@@H](CC)N(C)C)CC1 1070973010 YMCXXWTYDNGUJW-CQSZACIVSA-N 308.426 -0.390 30 20 DBED N#CCN[C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2nc[nH]n2)CC1 1071097467 KWCRXRKGOYZCPZ-DOMZBBRYSA-N 318.381 -0.144 30 20 DBED C=CCOCC(=O)N[C@H]1CN(C(=O)CN(C)C(C)=O)C[C@@H]1C 1071658079 JQRIDFUAQNAVDL-AAEUAGOBSA-N 311.382 -0.370 30 20 DBED C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1NC(=O)Cc1nc[nH]n1 1071661923 QGOSRNOGRRKLTF-NXEZZACHSA-N 322.394 -0.433 30 20 DBED COC(=O)NCC(=O)N1C[C@H](C)[C@@H](NC(=O)C#CC(C)C)C1 1071715509 YDPFELXEGVOBPQ-RYUDHWBXSA-N 309.366 -0.035 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CN(C(=O)COCCC)C[C@@H]1C 1071754618 BBXJPKIXWXKYNX-STQMWFEESA-N 323.393 -0.484 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H](C)[C@H](NC(=O)c2ccoc2)C1 1071932925 OXKQYUHKEOVCLD-WCQYABFASA-N 317.345 -0.004 30 20 DBED CC#CCN1C[C@H](NC(=O)CN2C(=O)CNC2=O)CC[C@H]1C 1072054318 ATEMQWFSYDLAQK-VXGBXAGGSA-N 306.366 -0.469 30 20 DBED C#CCN1C[C@@H](NC(=O)c2cn(C)c(=O)nc2O)CC[C@@H]1C 1072071189 WLPVOWUNBZSBKW-QWRGUYRKSA-N 304.350 -0.298 30 20 DBED C=CCN1CCCO[C@H](CNC(=O)c2ccc(=O)n(C)n2)C1 1073880414 ITASIIQZWJPVTH-GFCCVEGCSA-N 306.366 -0.213 30 20 DBED C#CCCN1CCO[C@@H]2CCN(C(=O)c3nnn(C)n3)C[C@@H]21 1074317231 LZMHIWPOIYHMAS-NWDGAFQWSA-N 304.354 -0.851 30 20 DBED C=CCN1C[C@@H]2CCN(C(=O)Cn3cnc(C(N)=O)n3)[C@@H]2C1 1075812011 PZXXEJPQFAKDSM-WDEREUQCSA-N 304.354 -0.904 30 20 DBED C=CCCO[C@@H](C)C(=O)NCC[C@H](C)NC(=O)Cn1cnnn1 1075846468 OZJBOZGCKRFMPA-RYUDHWBXSA-N 324.385 -0.335 30 20 DBED C[C@@H](CCNC(=O)c1cc(C#N)c[nH]1)NC(=O)[C@H]1CCC(=O)N1 1076071170 MHINUYGHGKBQBN-GXSJLCMTSA-N 317.349 -0.210 30 20 DBED C[C@@H](CCNC(=O)c1ccc(C(N)=O)cn1)NC(=O)[C@@H](C)C#N 1077173315 OLYRQADTGJIWJE-UWVGGRQHSA-N 317.349 -0.035 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCN(C(=O)CC)C2)C1 1077960003 CBBFBPZPLBCODY-MGPQQGTHSA-N 307.394 -0.571 30 20 DBED C=CCCOCC(=O)N[C@@H](C)CCNC(=O)[C@H]1C[C@H]1C(N)=O 1078492950 IVFQGRFDBDIONV-TUAOUCFPSA-N 311.382 -0.289 30 20 DBED C#CCN[C@H]1C[C@H](NC(=O)CN2C(=O)CN(C)C2=O)C12CCC2 1078804030 RMSNVSOBESDOMY-RYUDHWBXSA-N 318.377 -0.469 30 20 DBED CCN(C(=O)C#CC1CC1)C1CN(C(=O)C(C)(C)C(N)=O)C1 1079739335 PMKPOBWYQKDQCB-UHFFFAOYSA-N 305.378 -0.029 30 20 DBED C#CCOCCC(=O)N(CC)C1CN(C(=O)c2ncn(C)n2)C1 1079772051 DIMQTVIPVMILIT-UHFFFAOYSA-N 319.365 -0.472 30 20 DBED CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)c2c[nH]c(=O)cn2)C1 1080414686 QWEPIVUBJRXUKU-VIFPVBQESA-N 303.322 -0.398 30 20 DBED CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)[C@H]2CN(C)C(=O)N2)C1 1080419611 CNDIKRNGPSFQGO-GXSJLCMTSA-N 307.354 -0.771 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CO)(NC(=O)c2cncnc2)CC1 1080825455 PBZDWCGEXJUNKO-NSHDSACASA-N 317.349 -0.280 30 20 DBED COCCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 1081419254 JVLNCSLSOXHINI-YPMHNXCESA-N 320.349 -0.528 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(C(=O)C2CCOCC2)C[C@H]1O 1081470913 HELVRFJTKZFRMZ-HUUCEWRRSA-N 320.389 -0.238 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2ncccn2)C1 1081688525 SYSVGQXJWPPYCN-QWHCGFSZSA-N 316.361 -0.315 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCc3nncn3CC2)C1 1083652848 JPEVHVZUGFTMLM-UPJWGTAASA-N 303.366 -0.975 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)c2ccc3ncn(C)c3n2)C1 1083776878 UCIDFBYFIPZYLG-KGLIPLIRSA-N 313.361 -0.234 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCc3nnnn3CC2)C1 1083793116 CAJRIYNHVGCKFE-UPJWGTAASA-N 320.397 -0.637 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2ccc(-n3ccnn3)cc2)C1 1083945179 PUXXEDZABOUSNS-KGLIPLIRSA-N 312.333 -0.434 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)CN2Cc3ccccc3C2=O)C1 1083968100 FHRNIHPBOALCIE-CABCVRRESA-N 313.357 -0.563 30 20 DBED N#Cc1nccnc1N1CC=C(CCNC(=O)CC(N)=O)CC1 1089822222 VSPXRPXTMVZMIG-UHFFFAOYSA-N 314.349 -0.134 30 20 DBED C=CCCn1cc(C(=O)N[C@@H]2CCN(CC#N)C[C@H]2O)nn1 1090638763 RTPBASZTQAJXTN-DGCLKSJQSA-N 304.354 -0.457 30 20 DBED CC(=O)N(C)CC(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1C 1090677283 BIPWNEQLOBIURS-ZWNOBZJWSA-N 316.365 -0.233 30 20 DBED C=CCN1CC[C@@H](NC(=O)c2ccc(C(N)=O)nc2)[C@@H](O)C1 1090851072 YHBKIDKYBBGAML-YPMHNXCESA-N 304.350 -0.469 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2cc(C(N)=O)ccn2)[C@H](O)C1 1090858737 PMEWDYHGJNLGRG-TZMCWYRMSA-N 316.361 -0.631 30 20 DBED CN1CCN(CC(=O)N2C[C@H]3CN(CC#N)C[C@@]3(C)C2)CC1=O 1091800986 WNWLAVYAYXSKRV-CJNGLKHVSA-N 319.409 -0.936 30 20 DBED C[C@@H](CC(N)=O)C(=O)N[C@H]1CCN(c2ccc(C#N)nn2)[C@@H]1C 1092033299 ATIXCQSBYCZVHL-UMNHJUIQSA-N 316.365 -0.057 30 20 DBED COCCC(=O)N[C@H]1CCN(c2nccnc2C#N)C[C@@H]1O 1092131769 KIIZJIYKVPQCNF-JQWIXIFHSA-N 305.338 -0.559 30 20 DBED CC(C)OCC(=O)N[C@H]1CCN(c2nccnc2C#N)C[C@H]1O 1092144128 WNNMCRQXNAMNMO-WCQYABFASA-N 319.365 -0.171 30 20 DBED N#Cc1cnc(NC2CC(CNC(=O)Cn3cnnn3)C2)cn1 1092185956 DXBPSLOBVCEICH-UHFFFAOYSA-N 313.325 -0.658 30 20 DBED C=CCCN1C[C@@H](C)[C@H](CNC(=O)[C@@H]2CCS(=O)(=O)N2)C1 1093203672 VHFSSENRTZXTEZ-UPJWGTAASA-N 315.439 -0.062 30 20 DBED COC[C@H](OC)C(=O)NC1[C@H]2CN(c3cncc(C#N)n3)C[C@H]12 1093346649 XSHDBEIXDSKPMJ-SRVKXCTJSA-N 317.349 -0.440 30 20 DBED N#CCN1CC(OC2CCN(C(=O)[C@H]3CCNC(=O)C3)CC2)C1 1093526355 ZEBYTAKFTZJAIP-LBPRGKRZSA-N 320.393 -0.272 30 20 DBED COCCn1cc(C(=O)NCCNc2cncc(C#N)n2)nn1 1093892805 DULFAZFEAZPGHR-UHFFFAOYSA-N 316.325 -0.572 30 20 DBED Cn1ncc(C(=O)NCCCNc2cncc(C#N)n2)c1N 1094374800 JBVDJCGKQVBDDF-UHFFFAOYSA-N 300.326 -0.104 30 20 DBED CN1C(=O)CC[C@H]1C(=O)NCCCNc1cnc(C#N)cn1 1094722616 OELLUCYCHCXPFB-NSHDSACASA-N 302.338 -0.113 30 20 DBED C#CCCN1CC(N2C[C@H](NC(=O)c3ncc[nH]3)CC2=O)C1 1094733294 GXNZDHILHLKCLZ-LLVKDONJSA-N 301.350 -0.552 30 20 DBED N#Cc1nccnc1NCCCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 1094781250 SYPZGVSLEQMMIW-WDEREUQCSA-N 318.337 -0.701 30 20 DBED C=CCOCC(=O)N1CC[C@H](Nc2ncnc3c2nnn3C)C1 1096926561 YDTFXBRQZDZMCD-JTQLQIEISA-N 317.353 -0.026 30 20 DBED C[C@@H](CC(N)=O)C(=O)N[C@H]1C[C@@H](N=c2cc[nH]cc2C#N)C1 1097240814 UWNCSCKOQBNANL-ZMLRMANQSA-N 301.350 -0.054 30 20 DBED N#CCN(CCO)C1CCN(C(=O)C(=O)NCC(F)F)CC1 1098415889 ZYURWQVYBTYWDL-UHFFFAOYSA-N 318.324 -0.823 30 20 DBED C#CCN(CCO)C1CCN(C(=O)CN2CCCCC2=O)CC1 1098418962 SLGKIVASWZNQDP-UHFFFAOYSA-N 321.421 -0.083 30 20 DBED N#Cc1cnc(N[C@@H]2CCC[C@H](NC(=O)CNC(N)=O)C2)cn1 1098590298 RSHJWXXWNNHCSO-ZJUUUORDSA-N 317.353 -0.144 30 20 DBED C[C@@H](CCNC(=O)c1cc(=O)n(C)o1)N=c1cc[nH]c(C#N)n1 1099010854 LOYYHPJITQWHMT-VIFPVBQESA-N 316.321 -0.318 30 20 DBED C#CCCN1C[C@@H]2CCC[C@]2(NC(=O)CN2C(=O)CNC2=O)C1 1099152670 RVOWLDUFXKWYDT-LRDDRELGSA-N 318.377 -0.468 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@H](O)C1 1099782740 GAZBWAZXQGNALT-HUUCEWRRSA-N 316.361 -0.299 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)Cc2cncnc2)[C@H](O)C1 1099796494 DMGPIGIMYYCCIC-HUUCEWRRSA-N 318.377 -0.780 30 20 DBED CC(C)C#CC(=O)N[C@H]1CCN(CC(=O)N2CCC2)C[C@H]1O 1099821300 SQQZYJSLTWLHGW-UONOGXRCSA-N 307.394 -0.571 30 20 DBED CCNC(=O)CCC(=O)NCCN(C)c1cnc(C#N)cn1 1099963158 AMPMSRFLULCHFQ-UHFFFAOYSA-N 304.354 -0.183 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)C2(CN(C)C)CC2)[C@@H](O)C1 1099971975 PBMGNSMPUNWUFX-CABCVRRESA-N 323.437 -0.471 30 20 DBED CCCC(=O)NCC(=O)NCCN(C)c1nccnc1C#N 1099974609 KRHRMYYIPNVIFM-UHFFFAOYSA-N 304.354 -0.183 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2cccnn2)[C@H](O)C1 1100041608 LQGVGCZWIUPKHA-TZMCWYRMSA-N 304.350 -0.709 30 20 DBED C[C@]12CN(C(=O)CSCC#N)C[C@H]1CN([C@@H]1CCNC1=O)C2 1101135332 NCYZGGJTSNBQBD-JMSVASOKSA-N 322.434 -0.088 30 20 DBED C#CCOCCC(=O)N1C[C@H]2CN([C@H]3CCNC3=O)C[C@@]2(C)C1 1101235344 RWTQRDROZPJULD-KEYYUXOJSA-N 319.405 -0.305 30 20 DBED CN(C(=O)C1(C(N)=O)CC1)[C@H]1CCN(c2cnc(C#N)cn2)C1 1102756077 OGCAGJQVKNDBNU-NSHDSACASA-N 314.349 -0.349 30 20 DBED CC[C@H](CNC(=O)[C@H]1COCCN1C)Nc1cnc(C#N)cn1 1103036500 MWDOLPNEDLISIF-DGCLKSJQSA-N 318.381 -0.014 30 20 DBED C[C@](CNc1ccc(C#N)nn1)(NC(=O)CC(N)=O)C1CC1 1103506920 KYAQFNTZJZFUOB-CQSZACIVSA-N 302.338 -0.080 30 20 DBED C[C@H](CNC(=O)[C@@H]1COC(=O)N1)CNc1nccnc1C#N 1103944889 FZHCFXRMKJEOTM-WPRPVWTQSA-N 304.310 -0.379 30 20 DBED C[C@H](CNC(=O)Cn1cncn1)CNc1cnc(C#N)cn1 1103969095 IARSWQCBWTTYKH-JTQLQIEISA-N 300.326 -0.196 30 20 DBED CCOCCOCC(=O)NC[C@H](C)CN=c1cc[nH]c(C#N)n1 1103993593 GSYARKSXGKZRFS-GFCCVEGCSA-N 321.381 -0.013 30 20 DBED C[C@H](CNC(=O)c1cnn(C)n1)CNc1ccc(C#N)nn1 1104019184 SPOLJESJBCWHOZ-VIFPVBQESA-N 300.326 -0.045 30 20 DBED C[C@@H](CNC(=O)[C@H]1CC(=O)N(C)C1)CNc1cncc(C#N)n1 1104254339 FIRMBXHFUFDPIM-MNOVXSKESA-N 316.365 -0.009 30 20 DBED Cc1ccc(C#N)c(N(C)CCN(C)C(=O)Cn2ncnn2)n1 1105473406 YKINAOHOMRZRTL-UHFFFAOYSA-N 314.353 -0.157 30 20 DBED N#CCN1CC(OC2CCN(C(=O)CNC(=O)C3CC3)CC2)C1 1105691546 SDBKVUPSYKNTNM-UHFFFAOYSA-N 320.393 -0.272 30 20 DBED Cc1nc(NC[C@@H](O)CNC(=O)[C@H](C)NC(N)=O)ccc1C#N 1105810174 PONQRXZZNVTIBL-GXSJLCMTSA-N 320.353 -0.793 30 20 DBED N#Cc1cnc(NC[C@H](O)CNC(=O)C23CCN(CC2)C3)cn1 1105917818 PMWXQEQRDHLWLY-LBPRGKRZSA-N 316.365 -0.667 30 20 DBED CCn1cc(C(=O)NC[C@H](O)CNc2ncccc2C#N)nn1 1105954410 VNQXXSWIPLGVBS-LLVKDONJSA-N 315.337 -0.233 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H](O)CN=c1cc(C)[nH]cc1C#N 1105970319 FIXBHZSVBFHQJI-JSGCOSHPSA-N 316.361 -0.389 30 20 DBED CN(C)C1(C(=O)NC[C@H](O)CNc2nccnc2C#N)CCC1 1106004198 OJHYZMZCGOEPMX-LLVKDONJSA-N 318.381 -0.278 30 20 DBED CN1CC[C@@H](C(=O)NC[C@H](O)CNc2ncccc2C#N)C1=O 1106064673 WKLCLNKXAXHHHJ-NEPJUHHUSA-N 317.349 -0.679 30 20 DBED CCC(=O)N[C@H](C)C(=O)NC[C@H](O)CNc1ccc(C#N)cn1 1106140282 IEFHYVMMNWHLIC-ZYHUDNBSSA-N 319.365 -0.243 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)[C@@H]1C[C@H]1C(=O)OC 1106698686 IOSSRJFPXRMALV-GHMZBOCLSA-N 317.349 -0.160 30 20 DBED CNC(=O)[C@H](C)N1CC(n2cc(CNC(=O)[C@@H](C)C#N)nn2)C1 1107149766 PZFHKBRBRQCJLO-UWVGGRQHSA-N 319.369 -0.955 30 20 DBED CC[C@H](C)C(=O)NC[C@@]1(C)CN(CC(=O)NCC#N)CCO1 1107752335 RYJCDCVKCLUPPI-WFASDCNBSA-N 310.398 -0.121 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)C3(CN(C)C)CC3)CC2=O)C1 1108566457 JAQYCOQHAVCKBJ-CYBMUJFWSA-N 320.437 -0.085 30 20 DBED C#CCOCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)N1CCC1 1109272600 MEWRWYWICKLKLD-ILXRZTDVSA-N 319.405 -0.020 30 20 DBED C[C@H](CN(C)c1ccnc(C#N)n1)NC(=O)[C@@H]1CCC(=O)NC1 1109305654 SMRICQBNAWEEQE-GHMZBOCLSA-N 316.365 -0.185 30 20 DBED N#Cc1cncc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)CCCC(N)=O)n1 1109711684 LKEMVHCYNNKEPB-VPJDZLOFSA-N 314.349 -0.303 30 20 DBED CC(C)(C(N)=O)C(=O)N[C@@H]1[C@H]2C[C@H]1N(c1nccnc1C#N)C2 1109728553 TXSRIDWEDZOSBQ-JMJZKYOTSA-N 314.349 -0.447 30 20 DBED CC[C@@H](OC)C(=O)NC[C@@]1(O)CCN(c2cncc(C#N)n2)C1 1111043932 PIRBEWJBKAOIJQ-DOMZBBRYSA-N 319.365 -0.169 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@]1(O)CCN(c2ccnc(C)n2)C1 1111097822 HAVCAYQHPXZYEJ-WBMJQRKESA-N 318.377 -0.119 30 20 DBED N#Cc1c[nH]ccc1=NCCN(CCO)C(=O)[C@H]1CCOC1 1111445792 NJKZIVJLPKPFCW-LBPRGKRZSA-N 304.350 -0.356 30 20 DBED Cc1conc1C(=O)N(CCO)CCN=c1cc[nH]c(C#N)n1 1111507083 NGUMNYAJUCOWBT-UHFFFAOYSA-N 316.321 -0.387 30 20 DBED CCOCC(=O)NC[C@@H]1CN(c2nc(C)cc(C#N)n2)C[C@H]1O 1112692758 RLGXIJHHSAIJTE-DGCLKSJQSA-N 319.365 -0.394 30 20 DBED C[C@@H](C(=O)NC(N)=O)N1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 1112771215 MAHDRIBCZMVNCC-VIFPVBQESA-N 318.337 -0.772 30 20 DBED C#CCO[C@H](C)C(=O)N1CCN(Cc2ncnn2CC)CC1 1112845198 YEPLWVWJKXLHJP-CYBMUJFWSA-N 305.382 -0.020 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CCNC(=O)C1)N(C)c1cncc(C#N)n1 1113574889 IOCQFZYXMGPCLL-WDEREUQCSA-N 316.365 -0.185 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)[C@H](C)OCC=C)CC1 1113714630 IIMYDNYAGDJACJ-KBPBESRZSA-N 307.394 -0.140 30 20 DBED C=CCOCCN1C[C@H]2[C@H](NC(=O)c3cn(C)c(O)n3)[C@H]2C1 1114772204 NLCSGCGYRRMNIB-PJXYFTJBSA-N 306.366 -0.012 30 20 DBED CCN(C)CCC(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1115074345 KELQMCNUXRABRB-JYAVWHMHSA-N 307.398 -0.986 30 20 DBED C[C@@H](CN(C)C(=O)[C@H]1COCCN1C)Nc1cnc(C#N)cn1 1115682581 RSZSSZQNKNDDIV-WCQYABFASA-N 318.381 -0.062 30 20 DBED N#Cc1ccc([C@H](NCCCN2C(=O)CNC2=O)C(N)=O)cc1 1116074885 YOODMJQYQMYTRS-ZDUSSCGKSA-N 315.333 -0.384 30 20 DBED N#C[C@@H]1CCCN(C(=O)C(=O)N2CCN([C@H]3CCNC3)CC2)C1 1119610775 GNSGJDUTHYMTPD-KBPBESRZSA-N 319.409 -0.745 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)c1cnn(C)c1 1123363203 DDKXJONIXFUPOI-JTQLQIEISA-N 322.369 -0.860 30 20 DBED CCOCC(=O)N(C)C[C@@H](O)CN(C)c1ccnc(C#N)n1 1124950099 DZWMMKKFUJSSRO-NSHDSACASA-N 307.354 -0.360 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)[C@H](C)n1cccc1 1125755663 DJWQRLWNBPWGBR-LBPRGKRZSA-N 321.381 -0.233 30 20 DBED C#CCNC(=O)CC(=O)NCCN[C@H](C)C(=O)N(C)C(C)C 1125997978 JBVNZSYULNQMNB-GFCCVEGCSA-N 310.398 -0.913 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)c1nccn1CC 1126417008 CCTMVVVDRZMSHE-UHFFFAOYSA-N 322.369 -0.766 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)c1ncn(C)n1 1126688983 OQEYTBZGQQJOOW-UHFFFAOYSA-N 306.370 -0.665 30 20 DBED C#CCO[C@H](C)C(=O)NCCNCC[C@@H]1CCS(=O)(=O)C1 1127046219 OFOITQUVXPZEQQ-CHWSQXEVSA-N 316.423 -0.445 30 20 DBED CN(CCOCCNc1cnc(C#N)cn1)C(=O)CC(N)=O 1127247421 BFJLEIPRFKSWHW-UHFFFAOYSA-N 306.326 -0.889 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)C1(C2CC2)CC1 1130020062 NYIBLFGLLQBKBJ-UHFFFAOYSA-N 308.382 -0.106 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)CCOCC(F)(F)F 1130682219 HUVCAUNIMVCASV-JTQLQIEISA-N 323.315 -0.201 30 20 DBED C#CCN1CCOC[C@H]1c1n[nH]c(CNC(=O)CSC)n1 1130823768 WHZPBXJQXRCMRU-JTQLQIEISA-N 309.395 -0.210 30 20 DBED CC(=O)NCC(=O)N1CCC([C@@H]2OCC[C@H]2NCC#N)CC1 1131412870 NLXXWWXLBGEOIG-HIFRSBDPSA-N 308.382 -0.368 30 20 DBED C[C@@H]1CC[C@@H](NC(=O)Cc2cc[nH]n2)CN1CC(=O)NCC#N 1131931755 XMFYEQFMPWBCPW-DGCLKSJQSA-N 318.381 -0.439 30 20 DBED C#CCNC[C@@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)CC[C@H]1C 1132844183 VIQDNEVGLPPYKD-VXGBXAGGSA-N 318.381 -0.916 30 20 DBED C=CCOCCNCCNC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O 1133255619 STDKZCVYJPLPDM-AWEZNQCLSA-N 323.397 -0.635 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)[C@H](OC)C(C)C 1133342471 JMKNNZRCSQCFKB-GFCCVEGCSA-N 314.386 -0.625 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@@H]1CCCc2nc[nH]c21 1133660098 QGZYOWCIMMOIDX-LLVKDONJSA-N 305.382 -0.162 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)Cc1cnn(C)c1 1133893871 VGIKFQRQWCELLF-OLZOCXBDSA-N 319.409 -0.415 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)COCCOC 1133926224 FKDCWZOKELXPKF-QWHCGFSZSA-N 313.398 -0.728 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)c1cn(C)nn1 1134269778 JNZAOYJOYSOOQQ-GHMZBOCLSA-N 306.370 -0.949 30 20 DBED C[C@H](C[C@@H](C)NC(=O)C#CC1CC1)NCc1nc(=O)n(C)[nH]1 1134325876 JPNGHBIATZSNLD-GHMZBOCLSA-N 305.382 -0.105 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@H](CC(=C)C)NC(C)=O 1134821385 PLKNTEACNRXYKV-OCCSQVGLSA-N 322.409 -0.699 30 20 DBED C#CCOc1ccc(C(=O)NCCNCc2nnnn2C)cc1 1134950369 LEAJDLOIICOKLS-UHFFFAOYSA-N 314.349 -0.258 30 20 DBED C[C@@H](C[C@@H](C)NCC(=O)NCC#N)NC(=O)COCC(F)F 1135069850 GOPWOTFTSXTVOR-ZJUUUORDSA-N 320.340 -0.219 30 20 DBED CC[C@@H]1C[C@H](CC(=O)NCCNCC(=O)NCC#N)CCO1 1146960224 UCHBVOZHUJEOIJ-CHWSQXEVSA-N 310.398 -0.073 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)[C@@]23CCCN(CC2)C3)C1=O 1149254873 XCHKJEUKOCHKEC-YOEHRIQHSA-N 320.437 -0.035 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@@H](C)OCCOCC 1152201720 FQBVECPHCFYOQO-GFCCVEGCSA-N 301.387 -0.564 30 20 DBED COCC#CCNCCNC(=O)CCNC(=O)[C@H]1CCCO1 1153598031 JUWJQGKVJXSRGC-CYBMUJFWSA-N 311.382 -0.973 30 20 DBED CCN(CC#N)[C@H](C)CNC(=O)[C@@H]1CC(=O)N(CCOC)C1 1153682570 GAYCXNQVDSGGAN-CHWSQXEVSA-N 310.398 -0.169 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)CN1CCCC1=O 1154510365 RZRQXDGJSASCQN-LBPRGKRZSA-N 310.398 -0.605 30 20 DBED C[C@H](C#N)C(=O)NCCCNCC(=O)N1CCOC[C@H]1C1CC1 1155836312 LZAQOVDTVXKBHD-OCCSQVGLSA-N 322.409 -0.121 30 20 DBED C#CCNC(=O)CC(=O)NCCCN[C@H](C)C(=O)N(C)C(C)C 1156852608 GZZCIWABOXHHOU-CYBMUJFWSA-N 324.425 -0.523 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)c1ccc(C)nn1 1157760348 DCXUANLEURKBMJ-GFCCVEGCSA-N 303.366 -0.368 30 20 DBED C=CCNC(=O)CNCCCNC(=O)CN(C)C(=O)C1CC1 1159208042 FIARFOXQAKDBQS-UHFFFAOYSA-N 310.398 -0.747 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC(CNC(C)=O)(COC)CC1 1162048338 XBAJNZWRKWNLFY-CYBMUJFWSA-N 309.410 -0.011 30 20 DBED C#CCN1CCC(CNC(=O)[C@@H]2CCCNC2=O)(COC)CC1 1162306737 UYIIPLJDPOJREB-CQSZACIVSA-N 321.421 -0.009 30 20 DBED COCC#CCNCCCNC(=O)c1ccn2nnnc2c1 1163837893 GOHZJEIGFZUGKO-UHFFFAOYSA-N 302.338 -0.516 30 20 DBED CC#CCCCC(=O)NCCCNCC(=O)N1CCNC(=O)C1 1164268129 AIURBMYFEHFTAU-UHFFFAOYSA-N 322.409 -0.766 30 20 DBED N#CCNCC1(CCNC(=O)[C@@H]2CCS(=O)(=O)N2)CC1 1168192594 WYFCJXXPJWNFQK-JTQLQIEISA-N 300.384 -0.922 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)CN(C)C(C)=O)[C@H]1C 1178156216 MIXZHJRDZKTOCM-AAEUAGOBSA-N 310.398 -0.654 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)c2ccc(C(N)=O)o2)C1 1184091656 DZMPVIHEPVOYNX-LLVKDONJSA-N 305.334 -0.168 30 20 DBED C=CCCN[C@@H]1CCN(C(=O)C2CC3(C2)NC(=O)NC3=O)C1 1186249405 AONPSDXYWGEKGY-LOIXOFCESA-N 306.366 -0.259 30 20 DBED COCC#CCN1C[C@@H]2CCN(C(=O)CCn3cncn3)[C@@H]2C1 1186867086 SKFZBOJVLINOPZ-LSDHHAIUSA-N 317.393 -0.149 30 20 DBED C=C(C)CN(CC)C(=O)CN1C[C@@H](O)[C@H](NC(=O)COC)C1 1190593411 MMVCPEBIPRVMAB-CHWSQXEVSA-N 313.398 -0.781 30 20 DBED C#CCCCCC(=O)N[C@@H]1CN(CCN2CCNC2=O)C[C@H]1O 1192320790 LCRUMDFVDSJAGR-ZIAGYGMSSA-N 322.409 -0.634 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(CC[C@@H]2CCCO2)C[C@H]1O 1192886202 NTRUQKQLVKBEDB-RRFJBIMHSA-N 310.394 -0.243 30 20 DBED C=CCC[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)C2CS(=O)(=O)C2)C1 1193223133 VRHBGTHWHXDHNC-RAIGVLPGSA-N 316.423 -0.453 30 20 DBED C=CC(C)(C)CC(=O)N[C@@H]1CN(Cc2nnnn2C)C[C@H]1O 1193320690 WKXQLAKKRSUESX-GHMZBOCLSA-N 308.386 -0.526 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)[C@H](C)NC(C)=O)CC1 1194754794 OOXLISQLMTXFTE-LBPRGKRZSA-N 310.398 -0.653 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(Cc2cnn(C)c2)C[C@H]1O 1199284809 VQSBXIMFBOCWTD-ZIAGYGMSSA-N 308.382 -0.326 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2n[nH]c(C)n2)C[C@H]1O 1199318415 SVKCYNZRCUCGLU-MVWJERBFSA-N 309.370 -0.634 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)C[C@H]2CCOC2)CC1 1199910602 ABEFGCJGAOWXGS-CYBMUJFWSA-N 307.394 -0.257 30 20 DBED C#CCOCCC(=O)N1CCC(N[C@H](C)C(=O)NC(N)=O)CC1 1200523152 JFJIDXIXGKFYMF-LLVKDONJSA-N 324.381 -0.810 30 20 DBED N#CCNC(=O)CN[C@H]1C[C@H](NC(=O)c2nc[nH]n2)C12CCC2 1203500509 QQKDMUFKKSRTJI-UWVGGRQHSA-N 317.353 -0.925 30 20 DBED N#CCSCC(=O)N1CCC[C@@H](NCc2nc(O)n[nH]2)C1 1207410730 VVHSXWHQBUMWLU-SECBINFHSA-N 310.383 -0.152 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)NCC)C[C@H]1C 1207582987 IJHDXQBLVZOFTI-KFWWJZLASA-N 320.437 -0.343 30 20 DBED CNC(=O)NC(=O)[C@H](C)N[C@@H]1CCCN(C(=O)C#CC2CC2)C1 1208009297 WTMWRZUPXNDRRP-WCQYABFASA-N 320.393 -0.176 30 20 DBED COCC#CCN[C@H]1CCCN(C(=O)[C@]2(C)CCC(=O)N2)C1 1209512564 FXEHAIMZJGEJSS-BBRMVZONSA-N 307.394 -0.115 30 20 DBED C#CCN1C[C@@H](NC(=O)CCC(=O)NCCCOC)[C@H](C)C1 1210193513 NCWGFRUFGHJYNV-ZIAGYGMSSA-N 309.410 -0.011 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CN(Cc2ccc(CO)cc2)C[C@@H]1O 1219379013 LGZSZPPAJTVKEQ-GLQYFDAESA-N 303.362 0.000 30 20 DBED Cc1nc([C@@H](C)N2C[C@H](O)[C@H](NC(=O)C#CC3CC3)C2)n[nH]1 1219591426 CXTJXUWIUFWASD-WQAKAFBOSA-N 303.366 -0.251 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(CCn2cccn2)C[C@@H]1O 1219605570 WOWWWHPVSMVFMP-MCIONIFRSA-N 306.366 -0.917 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)c2ncc(OC)cn2)C1 1219976662 BSMXQZBGCHNKQD-OLZOCXBDSA-N 322.365 -0.537 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)c2ccc(OC)o2)C1 1220596513 YLDLVRMIFFHKSZ-NEPJUHHUSA-N 308.334 -0.287 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)CNC(=O)c2cscn2)C1 1220699700 IWYMWZSUZDJBBC-KOLCDFICSA-N 310.379 -0.780 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)CCCC(=O)NCCC)C1 1220793012 MLXDWLRMVDEVMO-KGLIPLIRSA-N 309.410 -0.133 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)Cc3ncc[nH]3)[C@@H]2C1 1221890603 CTRBAESLBDAHQY-CHWSQXEVSA-N 315.377 -0.766 30 20 DBED CN1CC[C@H](C(=O)NCC2CCN(CC(=O)NCC#N)CC2)C1 1225428245 YYNWSHIVPOKUJW-AWEZNQCLSA-N 321.425 -0.594 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)c2cc(=O)n(C)o2)CC1 1227031170 WLHYSULDBYWHLH-UHFFFAOYSA-N 322.365 -0.525 30 20 DBED CN(C[C@H]1CCN1CC(=O)NC(N)=O)C(=O)c1c[nH]c(C#N)c1 1233740225 FCRFEXIVPKGRPR-LLVKDONJSA-N 318.337 -0.772 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@@H]1CN(C)C(=O)c1ncc[nH]1 1234119945 SETPANHIOHLFRJ-NWDGAFQWSA-N 303.366 -0.306 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C[C@H]1CCN1Cc1nc(=O)n(C)[nH]1 1234215720 OXYDXOODZVQXOV-VXGBXAGGSA-N 321.381 -0.821 30 20 DBED Cn1nccc1C(=O)N[C@H]1CCCN(CC(=O)NCC#N)C1 1266205010 JDAVLBOAEXDQLY-NSHDSACASA-N 304.354 -0.746 30 20 DBED COC(=O)C(C)(C)NC(=O)CCN/C(O)=C1\N=CC=CC1=O 1318501224 VQJMJNISDHXHEM-VAWYXSNFSA-N 309.322 -0.029 30 20 DBED C=CC[C@@H](NC(=O)Cn1ncn2nccc2c1=O)C(=O)OCC 1320146994 FOSBBCAPYRFNQH-SNVBAGLBSA-N 319.321 -0.485 30 20 DBED C#CCCCNC(=O)C(=O)N1CCC(C(=O)NCCOC)CC1 1326771137 SQONZEIUWKSTPK-UHFFFAOYSA-N 323.393 -0.483 30 20 DBED COCCN(Cc1ccccn1)C(=O)NCC(=O)NCC#N 1326921290 VXRUYJUAWCHYJH-UHFFFAOYSA-N 305.338 -0.121 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)C(=O)NCCc2cccnc2)C1 1328260377 ZQZFBLIJGCGZIL-OAHLLOKOSA-N 302.334 -0.383 30 20 DBED COCC#CC(=O)NCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 1329128514 ITLQXSOYXUUSHC-CDGCEXEKSA-N 302.330 -0.441 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CCO[C@H](C)[C@@H]2C)nn1 1329222490 LYADPFXJUCLHFF-WDEREUQCSA-N 307.354 -0.284 30 20 DBED C=C[C@@H](O)C(=O)N1CCC(C(=O)OCC)(S(C)(=O)=O)CC1 1330833797 YPVBCGZXITVANW-SNVBAGLBSA-N 319.379 -0.498 30 20 DBED C=CCCCNC(=O)C(=O)Nc1ccc(=O)n(CC(N)=O)c1 1332612010 GRCLZDONEFBRDU-UHFFFAOYSA-N 306.322 -0.646 30 20 DBED CCN1C[C@@H](CNC(=O)C(=O)N2CCC[C@@H](C#N)C2)CC1=O 1333114915 QJNXYSZEUFHURE-NWDGAFQWSA-N 306.366 -0.267 30 20 DBED C#CCSCCNC(=O)C(=O)N1CC(N2CCCC2=O)C1 1341103482 CBWLDKXXXKELJW-UHFFFAOYSA-N 309.391 -0.698 30 20 DBED C=CC[C@H](C)NC(=O)C(=O)Nc1ccc(=O)n(CC(N)=O)c1 1346183772 NZDDFXSTPCCBLT-VIFPVBQESA-N 306.322 -0.647 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCC[C@@H](c2nc(C)no2)C1 1346541810 AIRCQCMXGXIOBJ-GFCCVEGCSA-N 320.349 -0.150 30 20 DBED CCc1nn(C)cc1NC(=O)C(=O)NCCn1cnc(C#N)n1 1346611367 YDLNSUHFYVMTSZ-UHFFFAOYSA-N 316.325 -0.799 30 20 DBED N#CC1(NC(=O)c2cnn(C[C@@H](O)CO)c2)CCSCC1 1350971328 DALAGKWAFSRGAT-LLVKDONJSA-N 310.379 -0.245 30 20 DBED C#CCN1CCC[C@@H](NC(=O)N(C)CCS(N)(=O)=O)C1 1353385603 YHWIXBCJGXLVDW-LLVKDONJSA-N 302.400 -0.986 30 20 DBED C#CCN1CCCC[C@@H]1c1nnc(N2CCNC(=O)C2)n1C 1355641782 ZXIANRRRDXHSSI-GFCCVEGCSA-N 302.382 -0.089 30 20 DBED C=CCn1c(-c2ncnn2C)nnc1N(C)CCNC(C)=O 1356169875 MLBUEOKVEWSUCD-UHFFFAOYSA-N 304.358 -0.168 30 20 DBED COCCn1nc(C(=O)N2CCSC[C@H]2C#N)ccc1=O 1362567437 KJRPNHPKZOHZGN-SNVBAGLBSA-N 308.363 -0.029 30 20 DBED C[C@@H](C(=O)N1CCN(c2nc[nH]n2)CC1)n1cnc(C#N)n1 1362966201 AVVVMNVMZQZRJA-VIFPVBQESA-N 301.314 -0.822 30 20 DBED COC[C@H]1C[C@@H](O)CN1Cc1cc(O)n2ncc(C#N)c2n1 1364445738 UKRCBUMTBVVVLH-VXGBXAGGSA-N 303.322 -0.112 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1cnc2cccnn12 1376629376 PAEPDURGTBRQOP-UWVGGRQHSA-N 316.321 -0.904 30 20 DBED C[C@H](C#N)C(=O)N[C@H](CNC(=O)CCn1cnnn1)C1CC1 1385773741 RUVCPHHOQCOMTM-MWLCHTKSSA-N 305.342 -0.766 30 20 DBED CCN(CCNC(=O)CNS(=O)(=O)CC)C(=O)[C@H](C)C#N 1398093383 DHCDDPODJZEYOQ-SNVBAGLBSA-N 318.399 -0.950 30 20 DBED COC(=O)NCC(=O)N[C@@H](C)CNC(=O)c1cc(C#N)c[nH]1 1400129623 DSMDRLDDHPPFGU-QMMMGPOBSA-N 307.310 -0.523 30 20 DBED CCCCn1nnnc1CN1CC(O)(CNC(=O)[C@@H](C)C#N)C1 1407399139 QSUMBZQNHNZQSB-NSHDSACASA-N 321.385 -0.704 30 20 DBED CC(=O)N1CC(C(=O)NC[C@@H](NC(=O)[C@H](C)C#N)C2CC2)C1 1407600862 BYFORACYWMNEBP-NOZJJQNGSA-N 306.366 -0.365 30 20 DBED CC(C)c1cc(C(=O)NC[C@H](O)CNC(=O)[C@@H](C)C#N)n(C)n1 1410164090 JGGXMGCEFFQZIB-WDEREUQCSA-N 321.381 -0.090 30 20 DBED CN(CC(=O)Nc1ncc2c(c1C#N)COCC2)S(C)(=O)=O 1411449477 WIOUBAWACYWMBR-UHFFFAOYSA-N 324.362 -0.144 30 20 DBED N#Cc1cc(C(=O)N2CCS(=O)(=O)[C@@H]3COCC[C@@H]32)c[nH]1 1417924463 WTZKIUHMDZYDGO-NWDGAFQWSA-N 309.347 -0.086 30 20 DBED C[C@H](CNC(=O)c1cc(C#N)c[nH]1)NC[C@@H](O)Cn1cccn1 1419708029 BIPHWMPEKJHHFY-DGCLKSJQSA-N 316.365 -0.148 30 20 DBED N#Cc1cn(CC(=O)NC[C@@H](O)C2CCCCC2)c(=O)nc1O 1433794486 RCNHRUVGOULBKO-GFCCVEGCSA-N 320.349 -0.122 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N[C@H](CO)C[C@@H]1CCCO1 1434617802 MOEYZRUVTLSDRO-WOPDTQHZSA-N 305.400 -0.158 30 20 DBED CNS(=O)(=O)CC(=O)N[C@H](C)CNCc1cccc(C#N)c1 1439181796 GKPKSJZERDOBPM-LLVKDONJSA-N 324.406 -0.298 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)CCc2cncn2C)C1 1445674357 UWNIHTGCYYHSFO-RTXFEEFZSA-N 319.365 -0.800 30 20 DBED CNC(=O)NCC(=O)NC[C@H](C)NC(=O)c1c[nH]c(C#N)c1 1452784454 PVRWNBDIANTQPN-QMMMGPOBSA-N 306.326 -0.950 30 20 DBED CC(=O)CCCC(=O)NC[C@H](O)CNC(=O)c1cc(C#N)c[nH]1 1457908209 DAKXQMCVLYYVIJ-LBPRGKRZSA-N 320.349 -0.147 30 20 DBED N#Cc1cc(CNS(=O)(=O)N2CCO[C@@H](C#N)C2)ccn1 1475791119 UFCVIIKIPGQAPC-LBPRGKRZSA-N 307.335 -0.488 30 20 DBED C[C@H](CNC(=O)c1cc(C#N)c[nH]1)N(C)C(=O)[C@H]1COCCO1 1486835235 NUFJTWUUOFJTBH-ZWNOBZJWSA-N 320.349 -0.122 30 20 DBED CC(C)N1CC[C@@H](N2CC(O)(CNC(=O)[C@@H](C)C#N)C2)C1=O 1500805929 BIFOSHKANZCYLV-NWDGAFQWSA-N 308.382 -0.682 30 20 DBED C=C(Cl)CNC[C@H]1CN(C(=O)CCNC(=O)NC)CCO1 1502051790 WKENVXIAASLHBN-NSHDSACASA-N 318.805 -0.125 30 20 DBED C=C(CCC(=O)O)C(=O)NC1CCN(S(C)(=O)=O)CC1 1573332683 NGFSFSSRNDPKPV-UHFFFAOYSA-N 304.368 -0.052 30 20 DBED C[C@H](CS(C)(=O)=O)N(C)c1cnc(-c2nn[nH]n2)c(C#N)n1 1575185033 JXULRZXPVYIGMJ-SSDOTTSWSA-N 322.354 -0.602 30 20 DBED CN(CCN1CCOCC1)c1cnc(-c2nn[nH]n2)c(C#N)n1 1579163057 YYCFJYNKFHEOCX-UHFFFAOYSA-N 315.341 -0.703 30 20 DBED C#CCNC(=O)COC(=O)c1ccc(-c2nn[nH]n2)c(C)n1 1588353846 JMKUNKDZYVVJCN-UHFFFAOYSA-N 300.278 -0.524 30 20 DBED CCN(C[C@@H](C)C#N)c1[nH]c(=O)n(C)c(=O)c1-c1nn[nH]n1 1590680717 IMMMUFMPLOSONE-ZETCQYMHSA-N 304.314 -0.760 30 20 DBED N#CCNCC1CC(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1592678723 MJCUIQUWZWKLKF-UHFFFAOYSA-N 300.326 -0.184 30 20 DBED C#CCCCC(=O)NS(=O)(=O)c1cncc(-c2nn[nH]n2)c1 1602703875 HTNBWNSWDCZYJD-UHFFFAOYSA-N 320.334 -0.130 30 20 DBED Cc1ncc(Cn2c(=O)c(C#N)cn(CC(=O)O)c2=O)cn1 1605420352 GYUYNNOLDIBTIM-UHFFFAOYSA-N 301.262 -0.887 30 20 DBED N#CCC(=O)N1CCN(c2cnc(-c3nn[nH]n3)c(C#N)n2)CC1 1606345862 QVTRAEQFBQBFKK-UHFFFAOYSA-N 324.308 -0.909 30 20 DBED C=CCOC[C@H](NC(=O)CS(=O)(=O)C(C)(C)C)C(=O)O 1609432420 RYYYYGMDLYEHGJ-VIFPVBQESA-N 307.368 -0.028 30 20 DBED Cn1c(NCC(C)(C)CC#N)c(-c2nn[nH]n2)c(=O)n(C)c1=O 1609476488 GPYYDVGJKFNGPY-UHFFFAOYSA-N 318.341 -0.384 30 20 DBED Cc1c(C(=O)N[C@H]2CCN(CC(=O)NCC#N)C2)ccn1C 1713086167 AXLUTSQFMXQMSH-LBPRGKRZSA-N 303.366 -0.223 30 20 DBED CC(=O)N[C@H](C)C(=O)NC1CCC(NCC(=O)NCC#N)CC1 1752847612 XRQOQTRVSAPUSH-QFWMXSHPSA-N 323.397 -0.832 30 20 DBED COCC#CCN[C@@H](C)CNC(=O)c1ccc(C(N)=O)cn1 1752923814 JLNIPWZZZDNFPZ-NSHDSACASA-N 304.350 -0.462 30 20 DBED C#CCNC[C@@H]1CCN(C(=O)CCc2nnc(O)nc2O)C1 1752943207 JEQWASGHFUUVAZ-JTQLQIEISA-N 305.338 -0.713 30 20 DBED COCC#CCN(C)CCNC(=O)c1ccnc2[nH]nnc12 1753054346 KEWNCXLNZUIJBJ-UHFFFAOYSA-N 302.338 -0.336 30 20 DBED C#CCN1CCC[C@H]1CNC(=O)[C@@H](NC(=O)COC)C(C)C 1753113725 RDXJXGQNZMWLDY-ZFWWWQNUSA-N 309.410 -0.013 30 20 DBED C#CCCN1CC[C@@H](CNC(=O)CCCS(N)(=O)=O)C1 1753134189 WTTCBVLJZGBJHK-LBPRGKRZSA-N 301.412 -0.484 30 20 DBED C#CCN1CCN(CCN(C)C(=O)c2ccc(=O)n(C)c2)CC1 1753341860 FGFALKWQLLALPZ-UHFFFAOYSA-N 316.405 -0.292 30 20 DBED CCc1cc(C(=O)N2C[C@@H]3C[C@H]2CN3CC(=O)NCC#N)n[nH]1 1753417939 YNPJUESDQJXXGQ-RYUDHWBXSA-N 316.365 -0.489 30 20 DBED C=CCNC(=O)[C@H](C)N1CC[C@@H]1CNC(=O)Cc1ccn(C)n1 1754483125 WGGXGXWTLXXVHH-GXTWGEPZSA-N 319.409 -0.156 30 20 DBED CN(C(=O)CCC1CCOCC1)C1CN(CC(=O)NCC#N)C1 1754583461 YLUNXOOHBRSIEU-UHFFFAOYSA-N 322.409 -0.024 30 20 DBED C#CCNC(=O)CN1CCOC[C@H]1CNC(=O)C[C@H]1CCCO1 1754964162 VXUHUCCCPCOSTJ-ZIAGYGMSSA-N 323.393 -0.878 30 20 DBED COCC#CCN1CCOC[C@@H]1CNC(=O)[C@@]12COC[C@@H]1C2 1754967623 LPQZTZCHMCVUIA-DZKIICNBSA-N 308.378 -0.510 30 20 DBED COCC#CCN1CC2(C[C@@H](NC(=O)c3[nH]nnc3C)CO2)C1 1755062704 FNDHEDJWPPWPGE-GFCCVEGCSA-N 319.365 -0.664 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@@H](C)CNC(=O)c1cccc(O)n1 1755297037 ICUIDDNBYGIKAS-RYUDHWBXSA-N 318.377 -0.025 30 20 DBED C#CCCN1CC(CCO)(NC(=O)CS(=O)(=O)CCC)C1 1755338495 YHSVZYNSKVJTMS-UHFFFAOYSA-N 316.423 -0.613 30 20 DBED C#CCNCCCOCCNC(=O)[C@H]1CCc2nncn2CC1 1755553298 FPAGPLPQYXGTNH-AWEZNQCLSA-N 319.409 -0.024 30 20 DBED CC(C)C#CC(=O)NC[C@H](CO)NCC(=O)NC1CCCC1 1755628234 RFKQSJXJZKPSBF-CQSZACIVSA-N 309.410 -0.229 30 20 DBED C=C(C)CN[C@H](CO)CNC(=O)[C@@H]1CCCCS1(=O)=O 1755631165 WQOIKEMOCFOUBQ-RYUDHWBXSA-N 304.412 -0.404 30 20 DBED COCC#CCN[C@@H]1C[C@H](C)N(C(=O)CCn2cncn2)C1 1755670404 QRQOYXUPUHOVNL-UONOGXRCSA-N 305.382 -0.103 30 20 DBED C#CCNC[C@@H](O)CN(C)C(=O)c1cccc(C(=O)NC)n1 1755794313 VSIGJEYGTBZTLR-LLVKDONJSA-N 304.350 -0.903 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H](C)N(C)C(=O)CC(=O)NC 1756039263 FEDIKBUQJOFTGX-STQMWFEESA-N 322.409 -0.817 30 20 DBED C=CCC(C)(C)C(=O)N[C@@H](CO)CNC(=O)[C@H]1COCCO1 1756503953 SGDRGIHOYHMCPJ-VXGBXAGGSA-N 314.382 -0.403 30 20 DBED C=CC(C)(C)CC(=O)NC[C@H](CO)NC(=O)CN(C)C(C)=O 1756523285 HDEOHDNRIOLTBJ-GFCCVEGCSA-N 313.398 -0.340 30 20 DBED C=CCOCC(=O)N1C[C@@H](NC(=O)CN2CCCC2=O)C[C@@H]1C 1756583808 QCMXTNWTYIYPGO-STQMWFEESA-N 323.393 -0.083 30 20 DBED C#CCOCCC(=O)N[C@H]1C[C@@H](C)N(C(=O)CCNC(N)=O)C1 1756590153 NPIXIISGQMYPGD-NEPJUHHUSA-N 324.381 -0.810 30 20 DBED C#CCOCCC(=O)N[C@@H]1CC[C@@H](CNC(=O)CC(=O)NC)C1 1756642109 PPVMNSZZFSBFJC-CHWSQXEVSA-N 323.393 -0.437 30 20 DBED CC(C)(C)C#CC(=O)N[C@@H]1CN(C(=O)CC(C)(C)O)C[C@H]1O 1756996011 VPFJHZFXRWQGIX-VXGBXAGGSA-N 310.394 -0.115 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@H](NC(=O)c2n[nH]c(C)c2C)C1 1757163331 RLXMNHWFZIFMCU-NEPJUHHUSA-N 322.365 -0.469 30 20 DBED N#CC1(CS(=O)(=O)NC(=O)c2ccc3nnc(O)n3c2)CC1 1771693986 NQTORNDUSQWFFT-UHFFFAOYSA-N 321.318 -0.202 30 20 DBED C=CCC(=O)N1CC2(CCCN2C(=O)[C@@H](O)N2CCOCC2)C1 1844297680 BAVWTYHIAFAZBP-CQSZACIVSA-N 323.393 -0.584 30 20 DBED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)[C@@H](C)O)C1 1846168642 XWLBQTMKXHGVRO-FOQNGQEVSA-N 321.377 -0.571 30 20 DBED C=CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846194709 ISGHYOLXLDZPDP-GFCCVEGCSA-N 320.345 -0.131 30 20 DBED C=C(C)CNC(=S)NCCS(=O)(=O)N1CCOCC1 51975831 KMWXBKYIDPOLLH-UHFFFAOYSA-N 307.441 -0.311 30 20 DBED C[C@@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(N)=O 53396048 JTJGRWFKWCYKKO-SECBINFHSA-N 324.362 -0.518 30 20 DBED CCn1c(=O)[nH]c2cc(C(=O)[C@H](C#N)C(=O)NC)ccc2c1=O 121417651 VUYUQCZFWXTRFF-JTQLQIEISA-N 314.301 -0.222 30 20 DBED CCN1CCC[C@H]1CN/C(N)=N/CCS(=O)(=O)NC(C)C 170913075 HPRPUWJHKWNRMO-LBPRGKRZSA-N 319.475 -0.297 30 20 DBED N#CCC1(O)CN(C(=O)Cn2c(=O)[nH]c3ccccc3c2=O)C1 186845868 CMCXVYMIKMVJGJ-UHFFFAOYSA-N 314.301 -0.823 30 20 DBED C[C@@H]1OCC[C@@]1(O)C/N=C(/N)N1CCN(c2ncccn2)CC1 262707772 BWZLISBBLYNBJE-SWLSCSKDSA-N 320.397 -0.547 30 20 DBED CCN1CCN(CC(=O)NC2(C#N)CCSCC2)C(=O)C1=O 270193526 YBZLAUSHROGJGF-UHFFFAOYSA-N 324.406 -0.417 30 20 DBED COC(=O)[C@@H](CO)NC(=O)COc1ccc(C#N)cc1OC 273940217 TYQNLHRIIMUPJE-SNVBAGLBSA-N 308.290 -0.404 30 20 DBED C#CCOc1ccccc1CNC(=O)C(=O)NCC(=O)N(C)C 275425616 IGEIDFPCIOQSQS-UHFFFAOYSA-N 317.345 -0.481 30 20 DBED C#CCOc1ccccc1NC(=O)C(=O)N[C@H](CO)COC 280500674 RJDMVYIYWISTQT-LLVKDONJSA-N 306.318 -0.239 30 20 DBED CN1CCN/C1=N\C[C@H](O)CS(=O)(=O)c1cccs1 285017315 IYRNXUYDUWSOFG-VIFPVBQESA-N 303.409 -0.226 30 20 DBED CC(=O)N1CCN(C(=O)CC/N=C(/O)[C@@H]2CC(=O)N(C)C2)CC1 329332137 WLUBYCSMRYVCDD-GFCCVEGCSA-N 324.381 -0.498 30 20 DBED C[C@@H]1CN(/C(O)=N/[C@@H]2CC(=O)N(C)C2)C[C@@H](C)S1(=O)=O 329630397 VKOQJNDINBKNPH-OPRDCNLKSA-N 303.384 -0.362 30 20 DBED COC(=O)CN1CCN(S(=O)(=O)c2ccc(C#N)o2)CC1 330686516 SPVHBGJWMYWSNC-UHFFFAOYSA-N 313.335 -0.369 30 20 DBED CC1(C)C[C@@]1(C#N)NC(=O)C1CCN(S(N)(=O)=O)CC1 331910555 CYTGTWGOVNXHST-LBPRGKRZSA-N 300.384 -0.290 30 20 DBED C[C@H](C#N)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCC(N)=O 339940123 SCSBUIHCGDVNOY-DGCLKSJQSA-N 316.361 -0.135 30 20 DBED CC(C)[C@H](C(=O)NCC(=O)NCC#N)N1C[C@H](C)O[C@H](C)C1 344176465 HGFGTPVQEUINKY-MBNYWOFBSA-N 310.398 -0.124 30 20 DBED CC[C@H]1CN(C(=O)Cn2cnc(C#N)n2)C[C@@H](C)S1(=O)=O 346339315 PSXAKBBPXQRVPY-ZJUUUORDSA-N 311.367 -0.426 30 20 DBED COC(=O)CN(CC#N)S(=O)(=O)c1c[nH]c(C(=O)OC)c1 351677875 SBBRYWZAWYCUTA-UHFFFAOYSA-N 315.307 -0.511 30 20 DBED COc1cc(C#N)ccc1OCCCC(=O)N[C@H](CO)C(N)=O 352987168 JTFKFHUCBIKVEH-LLVKDONJSA-N 321.333 -0.312 30 20 DBED N#C[C@H]1CN(C(=O)CSc2n[nH]c(O)n2)CCN1C1CC1 376733664 JQJUUELFPXVSRG-VIFPVBQESA-N 308.367 -0.199 30 20 DBED C#CCN1CCN(C(=O)CN2CCN(C(=O)C3CC3)CC2)CC1 490866820 VOICPDUFOPKSNG-UHFFFAOYSA-N 318.421 -0.682 30 20 DBED C#CCN1CCN(C(=O)CN[C@]2(CC(=O)OC)CCOC2)CC1 490951720 ZQWOMFUJOQGPGN-INIZCTEOSA-N 323.393 -0.924 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)Cc2cncnc2)CC1 491038253 IOKKZBNCQDSFSB-UHFFFAOYSA-N 315.377 -0.697 30 20 DBED C#CCN(C)CCCNC(=O)CCN1C(=O)CCNC1=S 491554522 JXVCVWJTLYTMBK-UHFFFAOYSA-N 310.423 -0.445 30 20 DBED CCOC(CN=c1cc(C#N)nc[nH]1)CN=c1cc(C#N)nc[nH]1 555805047 OFMKDXTUMPAKHY-UHFFFAOYSA-N 324.348 -0.217 30 20 DBED Cn1c(N2CC[S@](=O)C(C)(C)CC2)c(C#N)c(=O)n(C)c1=O 567752649 RUBGOXWZABVCBF-QFIPXVFZSA-N 324.406 -0.307 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N2CC[C@@H](CCCO)C2)CCO1 571537398 IDSCOBIFSUYLDX-VXGBXAGGSA-N 303.384 -0.450 30 20 DBED COC(=O)[C@@H]1C[C@H](O)CN(C(=O)NC2CCN(CC#N)CC2)C1 591952036 PGGAXJJGYJSDGB-YPMHNXCESA-N 324.381 -0.460 30 20 DBED N#Cc1c[nH]c(C(=O)N2CCCC[C@H]2CNS(N)(=O)=O)c1 597735312 FSNDMKIELOAKDZ-JTQLQIEISA-N 311.367 -0.326 30 20 DBED C[C@@H](CNC(=O)Nc1ccn(CCC#N)n1)S(N)(=O)=O 611532459 AJXBZSGDFVQZGA-QMMMGPOBSA-N 300.344 -0.405 30 20 DBED C=CCC[C@H](O)Cn1cc(CNC(=O)CN2CCNCC2)nn1 641212808 RKZGZINEZAXXLA-AWEZNQCLSA-N 322.413 -0.873 30 20 DBED C=CCC[C@H](NC(=O)NCCCN(C)S(C)(=O)=O)C(=O)O 654796958 HAZVCERYIHKKIN-JTQLQIEISA-N 321.399 -0.014 30 20 DBED COCC#CCN1C(=O)C(=O)N(CCCN2CCOCC2)C1=O 679006990 RLJCYTWBOLEUMF-UHFFFAOYSA-N 323.349 -0.851 30 20 DBED N#Cc1ccc(C(=O)OCC(=O)N2CCCC[C@H]2C(N)=O)nc1 730892770 VDMWQNFKQSHMEP-LBPRGKRZSA-N 316.317 -0.024 30 20 DBED CN(CC(=O)NS(=O)(=O)CC1(C#N)CCC1)S(C)(=O)=O 771080106 VPYIEZUMWPSMSB-UHFFFAOYSA-N 323.396 -0.982 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N1[C@H]2CC[C@H]1CC(=O)NC2 783304672 YVQDGPCMGPTHAN-QWRGUYRKSA-N 315.395 -0.350 30 20 DBED CC(C)(NC(=O)C(F)(F)F)C(=O)N[C@@H]1CCCN(O)C1=O 816759581 PSETVSGCEONABL-ZCFIWIBFSA-N 311.260 -0.060 30 20 DBED C[C@H](CN)N(C)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 832720374 BVVVJCDPWHVNCU-SNVBAGLBSA-N 324.406 -0.079 30 20 DBED C=C[C@H](C)ONC(=O)CNS(=O)(=O)c1cn(C)c(C)n1 846551758 XBORGGNYUNFDJZ-QMMMGPOBSA-N 302.356 -0.371 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)CN1C(=O)N[C@@](C)(CC)C1=O 854015554 UJSKPDSCNODDIW-XPTSAGLGSA-N 309.322 -0.612 30 20 DBED C#CC[C@@H](CO)NC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 854547496 WNJSOXJZXDSWJU-OCCSQVGLSA-N 301.346 -0.070 30 20 DBED C#CCCN1CCN(C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)CC1 865086115 TUWMPIRDVKWTOI-KGLIPLIRSA-N 307.394 -0.033 30 20 DBED CS(=O)(=O)NCC[C@@H]1CCCCN1C(=O)NCC#CCO 923785366 JHZNYLCUPWDFSX-LBPRGKRZSA-N 317.411 -0.515 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N1CCOC[C@H]1COC 931095226 XMFWYMQMQFOMMB-QWHCGFSZSA-N 312.366 -0.595 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CCCN2C(C)C)CC1 931874761 PXWXHUQBDBBANP-OAHLLOKOSA-N 320.437 -0.247 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCN(C(=O)c3cnn[nH]3)C2)nn1 937971302 RTZXSWVHPBEKJT-VIFPVBQESA-N 316.325 -0.773 30 20 DBED C[C@H](C#N)C(=O)N1CCCC[C@@H](NC(=O)Cn2ncnn2)C1 943268085 HVPVUPXWAKWKHL-GHMZBOCLSA-N 305.342 -0.670 30 20 DBED C#CCN1CCC[C@@H](N(C)C(=O)CN2CCN(C)C(=O)C2)CC1 948562294 RMCYXNODJBAGDN-OAHLLOKOSA-N 320.437 -0.294 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCN([C@H](C)C(=O)NC)CC1 948825866 VSBVQDYQBNEWNR-KGLIPLIRSA-N 306.410 -0.637 30 20 DBED C[C@@H](C(N)=O)N1CCC2(CC1)CN(C(=O)[C@H](C)C#N)CCO2 949053633 CNJIGLPONGCKJO-NEPJUHHUSA-N 308.382 -0.287 30 20 DBED N#CCN1CCOC2(CCN(C(=O)[C@H]3CC[C@@H]3C(N)=O)CC2)C1 949430250 PBLRYVBENXMKKR-STQMWFEESA-N 320.393 -0.285 30 20 DBED N#CCN1CCOC2(CCN(C(=O)CCn3cnnn3)CC2)C1 949500567 JVHGNJQZWHVWLN-UHFFFAOYSA-N 319.369 -0.720 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]1CNC(=O)c1cccn2nnnc12 950162971 PGQZDFJXRVKVMW-ZJUUUORDSA-N 313.321 -0.385 30 20 DBED Cc1nnsc1C(=O)N(C)[C@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1O 958493796 ZNJBIWSBGVYIGY-JEZHCXPESA-N 323.378 -0.350 30 20 DBED COc1ncnc(OC)c1C(=O)NC[C@@H]1CN(CC#N)C[C@H]1O 958758875 PTCRYXSTXXMLMV-NXEZZACHSA-N 321.337 -0.960 30 20 DBED C=CCCn1cc(C(=O)NC2[C@H]3CN(CCCO)C[C@H]23)nn1 962003857 RDKAFWCGTXNCDL-RYUDHWBXSA-N 305.382 -0.103 30 20 DBED C[C@H](C#N)C(=O)N1CCOC2(CN(C(=O)CN3CCCC3)C2)C1 965464341 AWZVSVRPHDSGAX-CYBMUJFWSA-N 320.393 -0.318 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](C)[C@@H](NC(=O)c2nnn(C)n2)C1 966669710 RIXURRZOXFULCQ-UWVGGRQHSA-N 306.370 -0.001 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](NC(=O)Cn2cnnn2)C(C)(C)C1 966959489 HNFSWJALFZWOCX-GHMZBOCLSA-N 319.369 -0.424 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H](N(C)[C@@H]3CCNC3=O)C2)nn1 972502443 WIZJBAKMIJHVTK-WCQYABFASA-N 318.381 -0.501 30 20 DBED C#Cc1cncc(C(=O)N[C@H]2C[C@H](NC(=O)c3ncn(C)n3)C2)c1 973233627 IOLWVFCHCFNKKN-JOCQHMNTSA-N 324.344 -0.118 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]1CN(C)C(=O)C1CS(=O)(=O)C1 977758495 LXMZMWPEBPGWBW-KOLCDFICSA-N 313.379 -0.750 30 20 DBED C=CCCN1C[C@H]2C(CNC(=O)c3cn(C)c(=O)nc3O)[C@@H]2C1 979069120 JFUZINRBXWXHPC-RYUDHWBXSA-N 318.377 -0.030 30 20 DBED C#CCN[C@@H]1CCC[C@H](NC(=O)CN2CCC(=O)NC2=O)C1 981439263 CDMCCGKWKMPIEQ-NEPJUHHUSA-N 306.366 -0.422 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(N(C)Cc2nc(=O)n(C)[nH]2)CC1 985338431 ILJOJDHVWROKGP-JTQLQIEISA-N 306.370 -0.309 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](n2ccnn2)[C@H](NC(=O)C(F)F)C1 990778051 HGAJVDPJDGHWTL-HLTSFMKQSA-N 312.280 -0.429 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2COC(=O)N2)C1 991129025 VDJCXSCKRGGPNC-MXWKQRLJSA-N 309.322 -0.987 30 20 DBED O=C(N[C@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1O)c1ncccn1 991718191 OHAZIODICDLGEF-STQMWFEESA-N 314.345 -0.418 30 20 DBED N#Cc1ccc(C(=O)NCC2CC(NC(=O)c3cnn[nH]3)C2)[nH]1 992038836 QFVAJYOOFHPTTD-UHFFFAOYSA-N 313.321 -0.057 30 20 DBED N#CCN[C@@H]1CCC[C@@H]2CN(C(=O)CN3CCOCC3=O)C[C@@H]21 992703052 AHOVNVQZEDJCMG-HZSPNIEDSA-N 320.393 -0.415 30 20 DBED C=C[C@](C)(CC)C(=O)N1CC(NC(=O)c2nnc(O)nc2O)C1 996747326 YHHFUMYKBPLHEC-CQSZACIVSA-N 321.337 -0.174 30 20 DBED C#CCNC1CCN(C(=O)c2ccc(=O)n(CCOC)n2)CC1 996791637 IFHOBGFTRYJOOC-UHFFFAOYSA-N 318.377 -0.283 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)CCc2nc[nH]n2)C1 1000006692 YTQSYLPTINDYJU-NEPJUHHUSA-N 319.365 -0.345 30 20 DBED C#CCCN1CCC(CNC(=O)[C@H]2CCS(=O)(=O)N2)CC1 1002134491 YQWGQLCVOOJLAZ-CYBMUJFWSA-N 313.423 -0.470 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCC1CN(C(=O)c2[nH]nnc2C)C1 1004525468 QZJLUKVNYIYKTR-NEPJUHHUSA-N 319.365 -0.108 30 20 DBED C#CCN[C@H]1C[C@@H](NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 1022469473 BYRAMYZXZDONCV-QXSJWSMHSA-N 321.421 -0.264 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H](CN[C@@H]3CCNC3=O)C2)nn1 1027110367 LLXPHLSDMZRDAI-VXGBXAGGSA-N 318.381 -0.596 30 20 DBED Cn1nnc(CN2CC[C@H](CNC(=O)c3ccc(C#N)[nH]3)C2)n1 1028490181 IRQQYVWFTRTUNF-SNVBAGLBSA-N 314.353 -0.338 30 20 DBED C#CCN1CCCC[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C1 1034232587 VKHPNZMFEKMJJI-ZDUSSCGKSA-N 318.377 -0.849 30 20 DBED N#CCN1CCO[C@@H](CNC(=O)c2cc3ncccn3n2)C1 1035552123 MIJDVKULTPBQOQ-NSHDSACASA-N 300.322 -0.317 30 20 DBED C#CCN1CCO[C@H](CNC(=O)[C@H]2CCc3nn[nH]c3C2)C1 1035571180 BAEJTOHCCKIBPX-NWDGAFQWSA-N 303.366 -0.640 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@@H]2CCN2[C@@H]2CCC(=O)NC2=O)c1 1038140093 NGQCUGOHDHYTJX-CMPLNLGQSA-N 315.333 -0.504 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2CCN2CCS(C)(=O)=O)cn1 1038942658 ZQULAUBBYOYCFJ-AWEZNQCLSA-N 321.402 -0.088 30 20 DBED C=CCO[C@H](C)C(=O)NC[C@@]1(O)CCN(C(=O)COCC)C1 1040160064 AGYGQJXKPOKNRK-DOMZBBRYSA-N 314.382 -0.306 30 20 DBED Cn1cc(C(=O)N2CC[C@H]3CN(c4nccnc4C#N)C[C@H]32)nn1 1040602983 GTEGWHAQBZFJGU-GXFFZTMASA-N 324.348 -0.172 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)c2ncccn2)C1 1040672856 DOYHMUIHTOGVFB-YGRLFVJLSA-N 303.322 -0.671 30 20 DBED CCN(CC)CC(=O)N1CC[C@@](O)(CNC(=O)[C@H](C)C#N)C1 1040760052 LWHTWYIDHSZPEF-IUODEOHRSA-N 310.398 -0.433 30 20 DBED Cc1ncn(C)c1C(=O)N1CC[C@](O)(CNC(=O)[C@@H](C)C#N)C1 1040761805 WBDNTKRJMPAFDO-BONVTDFDSA-N 319.365 -0.419 30 20 DBED O=C(NC[C@@]1(O)CCN(C(=O)C#CC2CC2)C1)c1ccnnc1 1041017119 CBANXODIJNNBJR-INIZCTEOSA-N 314.345 -0.417 30 20 DBED N#Cc1cncc(N2C[C@@H](O)[C@H](NC(=O)c3ccncn3)C2)n1 1041131190 ZMEKRLQLSDMHGA-VXGBXAGGSA-N 311.305 -0.882 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)C(C)(F)F)C1 1041146932 TVSDRLXMXGDWHC-UHFFFAOYSA-N 304.293 -0.629 30 20 DBED C=CCOCCCC(=O)NCC1(O)CN(C(=O)C(F)F)C1 1042313759 XCBXTMAOBGFCRF-UHFFFAOYSA-N 306.309 -0.076 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(O)CN(C(=O)[C@@H]2CC23CC3)C1 1042812489 PDSJLXRNBOWPJB-FZMZJTMJSA-N 308.378 -0.197 30 20 DBED CC(=O)N[C@@H](C)C(=O)N1CC(O)(CNC(=O)C#CC(C)(C)C)C1 1042965147 WCAQFLMRWCQRBO-NSHDSACASA-N 323.393 -0.750 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)[C@@H]2[C@H]3CCC[C@H]32)C1 1043039489 GQBDFQYWGJZKAY-MQYQWHSLSA-N 320.389 -0.240 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)c2nc(C)c[nH]2)C1 1043222090 FTLSYZRGVCVJRF-UHFFFAOYSA-N 308.338 -0.776 30 20 DBED C=CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2[nH]cnc2C)C1 1043575362 KAIDAXZMEYNRJF-NSHDSACASA-N 322.365 -0.388 30 20 DBED C=C(C)C[C@H](C)C(=O)NCC1(O)CN(C(=O)C2(C(N)=O)CC2)C1 1045059161 NAVLDHCKPOYHIT-NSHDSACASA-N 323.393 -0.456 30 20 DBED O=C(NCC1(O)CN(C(=O)C#CC2CC2)C1)c1ncccc1F 1045264999 GQTGIAGXKZYCRN-UHFFFAOYSA-N 317.320 -0.063 30 20 DBED C=C1CC(C)(C(=O)N2CC(O)(CNC(=O)Cc3ncc[nH]3)C2)C1 1045281630 MWKWEVNSIWWXHF-UHFFFAOYSA-N 318.377 -0.002 30 20 DBED C=CCCCC(=O)NCC1(O)CN(C(=O)Cc2cc[nH]n2)C1 1045451589 WXICCTKAXPLWRD-UHFFFAOYSA-N 306.366 -0.002 30 20 DBED N#Cc1cncc(N[C@H]2C[C@@H](CNC(=O)[C@H]3CCC(=O)N3)C2)n1 1046298401 WZCOQEUILASZFG-JFGNBEQYSA-N 314.349 -0.066 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3nc(C)[nH]c3C2)C1 1047436418 ZJJAMFRHEPXVKO-RCBQFDQVSA-N 316.405 -0.040 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2cncc(OC)n2)C1 1047553052 KOUSVMQGGCBCPE-STQMWFEESA-N 304.350 -0.374 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCCN2C(N)=O)C1 1047592563 VUTQKOZKQGYNSZ-IHRRRGAJSA-N 322.409 -0.554 30 20 DBED Cc1sc(=O)n(CC(=O)N(C)[C@H]2CN(CC#N)C[C@@H]2O)c1C 1047639261 PLCMXCUNIFKVRF-RYUDHWBXSA-N 324.406 -0.446 30 20 DBED C#CCN1C[C@@H]2CCCN(C(=O)CC3CS(=O)(=O)C3)[C@@H]2C1 1050077706 DKVHHKBFJKGUHT-UONOGXRCSA-N 310.419 -0.023 30 20 DBED CC(C)C#CC(=O)N1CC[C@H]([C@@H](C)NC(=O)Cn2ncnn2)C1 1050672924 NDSNLXGYUFDURY-OLZOCXBDSA-N 318.381 -0.314 30 20 DBED CC(C)N1C[C@H](C(=O)NC[C@@H]2COCCN2CC#N)CC1=O 1050945282 KTEORCCHAUIFFC-CHWSQXEVSA-N 308.382 -0.416 30 20 DBED C#Cc1cncc(C(=O)N2CC[C@@H]([C@H](C)NC(=O)C(N)=O)C2)c1 1051551116 RXGMGFDYBDBQTM-CMPLNLGQSA-N 314.345 -0.485 30 20 DBED N#Cc1cccnc1N1CC[C@H](NC(=O)c2cnn[nH]2)[C@@H](O)C1 1051807315 UAJWEZCGPAJQEF-JQWIXIFHSA-N 313.321 -0.559 30 20 DBED C#CCN1CC2(C1)CN(C(=O)c1nc3ncccn3n1)CCO2 1053477324 ZAGACHVFXXNPSJ-UHFFFAOYSA-N 312.333 -0.716 30 20 DBED CC#CCN1CC2(CC[C@@H](CNC(=O)[C@H]3CCC(=O)NC3)O2)C1 1053621013 ZAQIZGFRQNXTMW-KBPBESRZSA-N 319.405 -0.115 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)c3cn(C)c(O)n3)CO2)C1 1053916869 ULBZOANDZNOUKD-LLVKDONJSA-N 304.350 -0.278 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)c3noc4c3COCC4)CO2)C1 1054014011 GBFZGOYGPAVENF-LLVKDONJSA-N 317.345 -0.046 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@](CO)(NC(=O)CSCC#N)C1 1055786226 SSGZNUKOMLARKU-BXUZGUMPSA-N 324.406 -0.127 30 20 DBED Cc1nc(CC(=O)N2CCN(c3cncc(C#N)n3)CC2)n[nH]1 1055799077 RNUOCZXOMNDEDZ-UHFFFAOYSA-N 312.337 -0.334 30 20 DBED Cc1nsc(N2CCN(C(=O)Cn3ncnn3)CC2)c1C#N 1055912711 PDCUWGPRERHXPA-UHFFFAOYSA-N 318.366 -0.342 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCN(CCO)C(=O)c1cccnc1 1056806805 DIBPCUHGIFPVPQ-MRXNPFEDSA-N 321.377 -0.041 30 20 DBED C=CCCOCC(=O)NCCN(CCO)C(=O)Cc1cc[nH]n1 1057258768 QNHVXHOSGSJVHV-UHFFFAOYSA-N 324.381 -0.518 30 20 DBED C=CCO[C@H](C)C(=O)NCCN(CCO)C(=O)c1nc(C)c[nH]1 1057709537 NBMWVBIWIXGVMU-GFCCVEGCSA-N 324.381 -0.140 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)[C@@]1(C)CNC(=O)C1 1058131694 SUPXVMMXPJKBFZ-OAHLLOKOSA-N 311.382 -0.584 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)c1c(C)cnn1C 1058427218 CVRCGJVWGBZJGM-UHFFFAOYSA-N 324.381 -0.518 30 20 DBED CC(C)(C)C#CC(=O)NCCN(CCO)C(=O)Cc1ncc[nH]1 1058549748 AXNHRADDHSXFOG-UHFFFAOYSA-N 320.393 -0.061 30 20 DBED N#Cc1nc(=N[C@H]2C[C@H](NC(=O)c3cc[n+]([O-])cc3)C2)cc[nH]1 1059135664 DQPUIPZQLLVGKM-HAQNSBGRSA-N 310.317 -0.224 30 20 DBED C[C@@]1(C(=O)N[C@H]2C[C@@H](Nc3nccnc3C#N)C2)CCNC1=O 1059822972 DVGLFNBDIZOJFU-HFBDOXOYSA-N 314.349 -0.066 30 20 DBED C[C@H](C#N)C(=O)NCC[C@@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 1060277823 PUUHLVWJSGXNHJ-GHMZBOCLSA-N 306.366 -0.234 30 20 DBED C=C(C)CCC(=O)N1CCOC[C@H]1CNC(=O)Cn1cnnn1 1061278429 YSDUPJOGVMVVSD-GFCCVEGCSA-N 322.369 -0.627 30 20 DBED Cc1nc(N2C[C@@H]3C[C@H]2CN3C(=O)Cn2cnnn2)ccc1C#N 1062447643 JSYNOKQYKMHOAJ-STQMWFEESA-N 324.348 -0.262 30 20 DBED C[C@H]1CN(C(=O)c2cnn[nH]2)CC[C@@H]1N=c1cc[nH]c(C#N)n1 1063807212 BQHDYQJYYYIWND-UWVGGRQHSA-N 312.337 -0.149 30 20 DBED N#Cc1cccnc1N1C[C@H]2C[C@H]1[C@H]2NC(=O)Cn1cncn1 1064257480 YVENLYFKOHOMMT-DYEKYZERSA-N 309.333 -0.062 30 20 DBED C=C(C)CCC(=O)NC[C@H]1CN(C(=O)[C@@H]2CCC(=O)N2)CCO1 1065400437 DTLBBCFCRDMYOC-STQMWFEESA-N 323.393 -0.035 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@H](CNC(=O)C(=O)NCC2CC2)C1 1065555842 ALTFOFJVBSILFF-ZYHUDNBSSA-N 322.365 -0.984 30 20 DBED Cc1ccnn1CC(=O)NC[C@H]1CN(C(=O)[C@@H](C)C#N)CCO1 1065556935 LOEAOPRKHSDECQ-AAEUAGOBSA-N 319.365 -0.305 30 20 DBED C[C@H]1C[C@@H](N=c2cc[nH]cc2C#N)CN1C(=O)Cn1cnnn1 1069005754 HXQNQKBYZFVBJY-CMPLNLGQSA-N 312.337 -0.537 30 20 DBED Cc1ncncc1C(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1 1069898950 HNWVRXQVJVWKFH-OLZOCXBDSA-N 312.337 -0.445 30 20 DBED CC#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2ccn(C)n2)C1 1070096043 FHJWAIQVYKAKFW-KGLIPLIRSA-N 313.365 -0.310 30 20 DBED C=CCN[C@@H]1CN(C(=O)CCn2cncn2)C[C@@H]1n1ccnn1 1070142072 GFQASSXGTSQSLP-OLZOCXBDSA-N 316.369 -0.513 30 20 DBED C[C@@H]1[C@H](C(=O)N2C[C@H](n3ccnn3)[C@H](NCC#N)C2)CCN1C 1070197212 TWSWXRTYDDLMHR-SYQHCUMBSA-N 317.397 -0.517 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCCN(C(=O)CCOC)C1 1070338608 IUFNKRMXZMBOIZ-GFCCVEGCSA-N 309.366 -0.730 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCCN(C(=O)CCNC(N)=O)C1 1070716283 COJMCVBFNGJALZ-GFCCVEGCSA-N 324.381 -0.808 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CCCN(C(=O)c2nnn(C)n2)C1 1071108512 MBWODBUTSIOMSW-WDEREUQCSA-N 322.369 -0.478 30 20 DBED C#CCN1CC[C@@]2(C1)CN(C(=O)c1cn(C)nn1)C[C@H](C)O2 1071164303 KAKMTFZUOLXLMR-SWLSCSKDSA-N 303.366 -0.246 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H](C)[C@H](NC(=O)CC2CC2)C1 1071922729 XDZGYBSOGWEAII-WCQYABFASA-N 305.378 -0.111 30 20 DBED C[C@H](C#N)C(=O)NC1(C)CCN(C(=O)C2(C(N)=O)CC2)CC1 1073225826 ZCTDGBCESWYTRB-SNVBAGLBSA-N 306.366 -0.091 30 20 DBED C[C@@H](C(N)=O)N1C[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)[C@@H]2C1 1075698315 VYHMEYCDEDZSPW-OUJBWJOFSA-N 301.350 -0.094 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)CN1CCCC1 1076220256 WEVSVYJAWOBMDR-ZDUSSCGKSA-N 322.409 -0.767 30 20 DBED C#CCO[C@@H](C)C(=O)NCC[C@H](C)NC(=O)c1cc[n+]([O-])cc1 1076508744 DSLNZRMLPVVGDX-STQMWFEESA-N 319.361 -0.017 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCC(=O)N2)C1 1077826910 WWVVSSZREKDBAD-GMTAPVOTSA-N 301.774 -0.431 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2c[nH]nc2-c2cccnc2)C1 1077849841 RCPVPTRLXIFPFN-CHWSQXEVSA-N 312.333 -0.230 30 20 DBED C[C@@H](CCNC(=O)c1ccc(=O)n(C)n1)NC(=O)[C@@H](C)C#N 1078562531 PTQMDIIYZPEHTF-UWVGGRQHSA-N 305.338 -0.435 30 20 DBED C[C@@H](CCNC(=O)C(C)(C)S(C)(=O)=O)NC(=O)[C@@H](C)C#N 1078636053 MKHHDNLUKPWUQT-UWVGGRQHSA-N 317.411 -0.020 30 20 DBED C#CCNC(=O)CC(=O)N1CC(N(CC)C(=O)[C@@H](F)CC)C1 1080253192 QZQIVYPQYUPTIN-LBPRGKRZSA-N 311.357 -0.067 30 20 DBED C=C[C@@](C)(O)CC(=O)NC1(CO)CCN(C(=O)COC)CC1 1080835894 UJPXLNMSLNECSZ-CQSZACIVSA-N 314.382 -0.570 30 20 DBED C[C@@H](C#N)C(=O)NC1(CO)CCN(C(=O)CC(=O)N(C)C)CC1 1080981805 MFOCIFLACTWXGG-NSHDSACASA-N 324.381 -0.906 30 20 DBED CN(C)CCC(=O)NC1(CO)CCN(C(=O)C#CC2CC2)CC1 1080989457 XLSVEXHFWCNPDS-UHFFFAOYSA-N 321.421 -0.179 30 20 DBED COCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2c[nH]c(C#N)c2)C1 1081419253 JVLNCSLSOXHINI-WCQYABFASA-N 320.349 -0.528 30 20 DBED C=CCCOCC(=O)NC[C@@H]1CN(C(=O)c2cnon2)C[C@H]1O 1081569996 WNYUOZSSWYKQKR-ZYHUDNBSSA-N 324.337 -0.789 30 20 DBED CC#CCN1C[C@@H](NC(=O)c2cnn(CCOC)c2)[C@H](OC)C1 1082348254 RJBOLINYLBMMOA-HUUCEWRRSA-N 320.393 -0.018 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)C[C@@H]1COC(=O)C1 1083050315 HMYQSNKHRYGOOG-MELADBBJSA-N 306.362 -0.126 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCNC(=O)C2)C1 1083396721 BVMSWTCIEZKLND-MXWKQRLJSA-N 301.774 -0.574 30 20 DBED N#CCN1CC[C@@H]2CN(C(=O)[C@@H]3Cc4cncn4C(=O)N3)[C@@H]2C1 1084537705 HKAXFEZKUNNWHB-KGYLQXTDSA-N 314.349 -0.578 30 20 DBED N#CCN1CC[C@@H]2CN(C(=O)c3ccoc3CC(N)=O)[C@@H]2C1 1084612050 HHDZFTTVKRGXEV-ZYHUDNBSSA-N 302.334 -0.023 30 20 DBED N#CCN[C@H]1CCCCCN(C(=O)c2nnc(O)nc2O)C1 1088342518 NSZUARWQTCULQL-VIFPVBQESA-N 306.326 -0.219 30 20 DBED C[C@@H](C[C@@H](C)N=c1cc[nH]c(C#N)n1)NC(=O)C1(C(N)=O)CC1 1089463588 FEXKEKOCFVSTEB-ZJUUUORDSA-N 316.365 -0.269 30 20 DBED CCN(c1ncccc1C#N)[C@H](C)CNC(=O)Cn1cnnn1 1089584636 DCJFEZQRGRQRBH-LLVKDONJSA-N 314.353 -0.029 30 20 DBED CCN(c1nccnc1C#N)[C@H](C)CNC(=O)C1(C(N)=O)CC1 1089740211 MNNFSYXNQCOTGM-SNVBAGLBSA-N 316.365 -0.055 30 20 DBED CNC(=O)CC(=O)N1CC[C@H]2CN(c3ccc(C#N)nn3)C[C@H]21 1090308969 BGVMWHINDBPOSH-CMPLNLGQSA-N 314.349 -0.479 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1O 1090407747 ALYVNKSEMPLBSY-LALPHHSUSA-N 317.349 -0.659 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(c2nccc(OC)n2)C[C@H]1O 1090415272 DSMQVSTZJYJBIO-VXGBXAGGSA-N 304.350 -0.046 30 20 DBED C#CCN1CC[C@H](NC(=O)c2ccnc(NC(C)=O)c2)[C@H](O)C1 1090657667 FXQVQCDRZJQDMH-UONOGXRCSA-N 316.361 -0.162 30 20 DBED CC(C)N(C)CC(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@@H]1O 1091116972 FDGNKVAQGLXQSM-KGLIPLIRSA-N 317.393 -0.041 30 20 DBED N#Cc1nc(=N[C@H]2C[C@H](CNC(=O)Cn3cccn3)C2)cc[nH]1 1091419316 IOGLBZRXJIUMFE-HAQNSBGRSA-N 311.349 -0.026 30 20 DBED CC[C@@H]1[C@@H](NC(=O)CC(N)=O)CCN1c1ccc(C#N)nn1 1091763971 MTSIUQXHXHLRGL-WDEREUQCSA-N 302.338 -0.303 30 20 DBED COC[C@H](OC)C(=O)N1CCN(c2nccnc2C#N)CC1 1093193281 HFMUFLHFPFMMLE-LBPRGKRZSA-N 305.338 -0.342 30 20 DBED CNC(=O)NCC(=O)N1CCN(c2cc(C)ncc2C#N)CC1 1093202381 PDFZCAISJYKLCG-UHFFFAOYSA-N 316.365 -0.161 30 20 DBED CC(=O)N[C@H](C)C(=O)N[C@H]1[C@@H]2CN(c3ccc(C#N)nn3)C[C@@H]21 1093206940 BANQBWDGPCZGFL-XFOOOJQKSA-N 314.349 -0.576 30 20 DBED C#CCN1CC(n2cc(CNC(=O)c3c(C)cnn3C)nn2)C1 1094311434 ZNICOQWGCQZGNN-UHFFFAOYSA-N 313.365 -0.260 30 20 DBED CNS(=O)(=O)CC(=O)NCCCNc1ccc(C#N)cn1 1094440256 LQXFNXAEKAEOCA-UHFFFAOYSA-N 311.367 -0.579 30 20 DBED CC#CCN1CC(N2C[C@@H](NC(=O)[C@]3(F)CCOC3)CC2=O)C1 1094778362 LWOYTQZCCOTKOL-LRDDRELGSA-N 323.368 -0.460 30 20 DBED C=C(C)CN1CC(N2C[C@@H](NC(=O)c3nc[nH]n3)CC2=O)C1 1094796904 GBFIYKWCPXJJHQ-JTQLQIEISA-N 304.354 -0.604 30 20 DBED CNC(=O)C1(C(=O)N2CC[C@@H](N=c3cc[nH]cc3C#N)C2)CC1 1095046990 BFYCGFMNLRVYKA-GFCCVEGCSA-N 313.361 -0.086 30 20 DBED CN(CCCNC(=O)[C@H]1C[C@H]1C(N)=O)c1nccnc1C#N 1095739443 OQLDRKAQQQSTKG-ZJUUUORDSA-N 302.338 -0.588 30 20 DBED N#Cc1ccc(N2CC[C@H](NC(=O)CCNC(N)=O)C2)cn1 1096378609 VIQGWYRXFXRDCQ-NSHDSACASA-N 302.338 -0.293 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@H](C)Nc1ccc2nnnn2n1 1097794846 TYNPPUDAWHXRDZ-TVQRCGJNSA-N 305.342 -0.237 30 20 DBED C[C@@H](CNC(=O)C[C@H]1CCC(=O)N1)Nc1cnc(C#N)cn1 1097950447 OXNMUQJOLQFTPK-VHSXEESVSA-N 302.338 -0.066 30 20 DBED C[C@@H](CNC(=O)C[C@@H]1CCN(C)C1=O)N=c1cc[nH]c(C#N)n1 1098117369 KIQQZGSHMRUWEB-QWRGUYRKSA-N 316.365 -0.445 30 20 DBED C#CCN(CCO)C1CCN(C(=O)c2cn(C)c(=O)cn2)CC1 1098435508 FWYGIDPSGDNZKV-UHFFFAOYSA-N 318.377 -0.688 30 20 DBED C[C@@H](CCNC(=O)C(=O)NCC1CC1)N=c1cc[nH]c(C#N)n1 1099427736 OHLPLCOETOXLEO-JTQLQIEISA-N 316.365 -0.397 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)CCSC)[C@@H](O)C1 1099657298 QJWVBZLWOTVHFO-OLZOCXBDSA-N 300.424 -0.059 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)c2ccoc2)[C@@H](O)C1 1099669086 MOZKKYDXYJCRLZ-OLZOCXBDSA-N 307.350 -0.253 30 20 DBED Cc1nc(CN2CC[C@H](NC(=O)C#CC(C)C)[C@@H](O)C2)n[nH]1 1099823255 AQNXAWJCZYWXAS-STQMWFEESA-N 305.382 -0.176 30 20 DBED C#CCN1CC[C@H](NC(=O)COc2c(C)nn(C)c2C)[C@H](O)C1 1099832898 OHEGHXTWOSUQAT-UONOGXRCSA-N 320.393 -0.400 30 20 DBED C=CCCCN1CC[C@@H](NC(=O)CN2CCCNC2=O)[C@H](O)C1 1099903196 BRVXSTYPEFZRLW-ZIAGYGMSSA-N 324.425 -0.081 30 20 DBED COCC#CCN1CC[C@H](NC(=O)CCCN(C)C)[C@@H](O)C1 1099973330 BEKZGTPMCGEYCH-GJZGRUSLSA-N 311.426 -0.471 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CCN(CCOCCO)C[C@@H]2O)C1 1099994640 UWOGWTDVTRTLHW-KGLIPLIRSA-N 312.410 -0.097 30 20 DBED COCC#CCN1CC[C@H](NC(=O)Cn2ccc(C)n2)[C@@H](O)C1 1100005584 FDXQHVFULSCACX-GJZGRUSLSA-N 320.393 -0.607 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2ncccn2)[C@@H](O)C1 1100041176 FXWUTFAFKVTTBW-STQMWFEESA-N 304.350 -0.709 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)N[C@H]1CCN(CC#N)C[C@H]1O 1100130077 XTEVHCFHBRKBIB-NWDGAFQWSA-N 323.397 -0.675 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)c2[nH]cnc2C)[C@H](O)C1 1100145404 KRABKDKXHYLIDX-NWDGAFQWSA-N 321.381 -0.815 30 20 DBED CCS(=O)(=O)CC(=O)NCCN(C)c1nccnc1C#N 1100148489 YKKQYMUYSYAYFE-UHFFFAOYSA-N 311.367 -0.665 30 20 DBED CC(=O)NCC(=O)NC[C@H]1CCCN1c1cncc(C#N)n1 1100770111 LJKIBEJILJCLNH-GFCCVEGCSA-N 302.338 -0.431 30 20 DBED CN(CCNc1ccc(C#N)nn1)C(=O)CN1C(=O)CCC1=O 1101609853 ZFZVFMRKTQYEMZ-UHFFFAOYSA-N 316.321 -0.632 30 20 DBED CN(CCNc1nccnc1C#N)C(=O)C[C@@H]1CC(=O)NC1=O 1101680563 RREAVMFVTYSELD-VIFPVBQESA-N 316.321 -0.729 30 20 DBED CCC(=O)N[C@@H](C)C(=O)N(C)CCN=c1cc[nH]c(C#N)n1 1102014422 ALHWOKKGJHLVGF-JTQLQIEISA-N 304.354 -0.445 30 20 DBED CN(CCNc1ccc(C#N)nc1)C(=O)c1nnc(O)nc1O 1102050222 BPXYLYIOAFFTRX-UHFFFAOYSA-N 315.293 -0.266 30 20 DBED COCC#CCN1C[C@@H](C)[C@H](CNC(=O)[C@H]2CCN(C)C2=O)C1 1102251178 XPEYANHXOPDVGG-RBSFLKMASA-N 321.421 -0.201 30 20 DBED CC(=O)NCC(=O)N(C)[C@H]1CCN(c2nccnc2C#N)C1 1102669965 MJLHGLMPCGLFMV-NSHDSACASA-N 302.338 -0.479 30 20 DBED COCC#CCN1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC(=O)N2)C1 1103658168 YCHROESIUBIJQY-KFWWJZLASA-N 321.421 -0.011 30 20 DBED CCOCC(=O)NC[C@H]1CN(c2ccc(C#N)nn2)CCO1 1104280823 UWTHNPJXEQGUMT-LBPRGKRZSA-N 305.338 -0.294 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](C)N(C)C(=O)[C@H]2CNC(=O)N2)n1 1104784442 GMKBYHCMKXNNNP-MWLCHTKSSA-N 317.353 -0.403 30 20 DBED C#CCNCc1cn(C2CN(C(=O)COCC(F)F)C2)nn1 1105289382 AKVKSRLBSBXYIZ-UHFFFAOYSA-N 313.308 -0.334 30 20 DBED CC(=O)NCC(=O)N1C[C@]2(C[C@@H](O)[C@H](NCC#N)C2)[C@H]1C(C)C 1105587329 FWRINCJDMNGSMK-XOUADPBQSA-N 322.409 -0.388 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H](O)CNC(=O)C[C@@H]1CCCO1 1105718704 PEAQJZDUQKQDCJ-OLZOCXBDSA-N 304.350 -0.167 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)c2cnns2)nn1 1105723374 NPPDFLZUKQEOLI-QMMMGPOBSA-N 305.323 -0.597 30 20 DBED CN1CCC[C@H]1C(=O)NC[C@@H](O)CNc1cnc(C#N)cn1 1105754558 HHEWJLXXNMSNED-RYUDHWBXSA-N 304.354 -0.669 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H](O)CNc2ccc(C#N)nn2)cn1 1105909724 MKQCQCOPLWIADI-AWEZNQCLSA-N 322.328 -0.073 30 20 DBED CC[C@H](NC(C)=O)C(=O)NC[C@H](O)CNc1ccc(C#N)nn1 1106123993 VCDBIQFDDMGQHD-NEPJUHHUSA-N 320.353 -0.848 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)[C@@H](C)NC(=O)COC)C[C@H]1C 1106167507 BVUMGAFMTMZDJI-MGPQQGTHSA-N 309.410 -0.155 30 20 DBED C[C@@H](CCNc1nccnc1C#N)NC(=O)CS(C)(=O)=O 1106239313 PMPQADAKDIQCDU-VIFPVBQESA-N 311.367 -0.300 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)[C@@H](C)CC(N)=O)C[C@H]1C 1106527123 IOMABNBNIXSMKA-BFHYXJOUSA-N 309.410 -0.168 30 20 DBED C=CCNC[C@@H]1CN(C(=O)[C@@H]2CCN(C)S2(=O)=O)C[C@H]1C 1106752017 OBNYDTFYGYBXSR-UPJWGTAASA-N 315.439 -0.110 30 20 DBED Cc1cc(=NC/C=C\CNC(=O)[C@@H]2COC(=O)N2)c(C#N)c[nH]1 1107176325 WSGGAXQEIPLYKD-ZRMMWKCHSA-N 315.333 -0.124 30 20 DBED C#CCCCC(=O)NC[C@@]1(C)CN(Cc2nnnn2C)CCO1 1107901366 NWCZPIIYNSQZTC-HNNXBMFYSA-N 320.397 -0.279 30 20 DBED C[C@H](CNc1ccc(C#N)nn1)NC(=O)[C@@H]1CCC(=O)N1C 1108047116 SYTLRKKTIIYJEY-KOLCDFICSA-N 302.338 -0.114 30 20 DBED CC1CCN(C(=O)C(=O)NC[C@]2(C)CN(CC#N)CCO2)CC1 1108264759 YMOQGCDFBLPPNH-MRXNPFEDSA-N 322.409 -0.024 30 20 DBED C[C@H](O)CN1CC(N2C[C@@H](NC(=O)C#CC(C)(C)C)CC2=O)C1 1108544648 HSTLHZIAIBKCIV-STQMWFEESA-N 321.421 -0.182 30 20 DBED CN(CCCNc1cncc(C#N)n1)C(=O)Cn1cncn1 1109446205 JVTWMBUPHNYWEX-UHFFFAOYSA-N 300.326 -0.100 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NC(N)=O 1110183363 SJKYTARENGGDMA-USZNOCQGSA-N 324.381 -0.506 30 20 DBED C[C@H](NC(N)=O)C(=O)N[C@]1(C)CCN(c2cnc(C#N)cn2)C1 1110745692 PHGJXROETSRKSA-LKFCYVNXSA-N 317.353 -0.510 30 20 DBED COCCC(=O)N[C@]1(CO)CCCN(c2nccnc2C#N)C1 1111329895 NSIRAUKWRXXUDH-OAHLLOKOSA-N 319.365 -0.168 30 20 DBED Cc1ccc(C#N)c(N2CCOC[C@H]2CNC(=O)CC(N)=O)n1 1111680086 ZTQOFSFFFSUQCP-GFCCVEGCSA-N 317.349 -0.542 30 20 DBED COCCCC(=O)N1CCO[C@@H](CN=c2cc[nH]c(C#N)n2)C1 1111936875 BNEVPJBGQSRQPP-LBPRGKRZSA-N 319.365 -0.164 30 20 DBED CNC(=O)NCC(=O)N1C[C@H](C)[C@@H](Nc2cnc(C#N)cn2)C1 1112340536 NOHAURAXFMSQKO-ONGXEEELSA-N 317.353 -0.464 30 20 DBED C[C@@H]1CN(c2ccc(C#N)nn2)CC[C@@H]1NC(=O)CNC(N)=O 1112392523 ICQKJCJGJWCLIM-KOLCDFICSA-N 317.353 -0.652 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)[C@H](C)Nc1cncc(C#N)n1 1112978707 OKZZYQRVYGSINJ-WDEREUQCSA-N 314.349 -0.207 30 20 DBED C[C@@H](N=c1cc[nH]cc1C#N)[C@@H](C)NC(=O)Cn1ncnn1 1113194354 QOCIWVCFJIFYHH-NXEZZACHSA-N 300.326 -0.633 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)c2cn(CC)cn2)CC1 1113547028 ZTKGJCJMHBIWGX-ZDUSSCGKSA-N 317.393 -0.201 30 20 DBED C[C@@H](CNC(=O)C[C@@H]1CCC(=O)N1)N(C)c1cnc(C#N)cn1 1113651630 FLZFDDFPOKOFOP-QWRGUYRKSA-N 316.365 -0.042 30 20 DBED C[C@H](CNC(=O)C[C@@H]1CCC(=O)N1)N(C)c1ccc(C#N)nn1 1113651729 IAHUDHIIIJJDKT-MNOVXSKESA-N 316.365 -0.042 30 20 DBED C#CCN1C[C@H]2C(NC(=O)CC3(CS(C)(=O)=O)CC3)[C@@H]2C1 1114282531 AVXGNMTZENNNQK-VXGBXAGGSA-N 310.419 -0.119 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)CN(C)C3CCC3)[C@H]2C1 1114412413 XRCUXZPJWVODCZ-KBPBESRZSA-N 320.437 -0.181 30 20 DBED COCC1(C(=O)NC2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]23)CC1 1114559838 IETCACDIRSQBOZ-GHMZBOCLSA-N 306.366 -0.901 30 20 DBED C[C@@H](CCCN=c1cc[nH]c(C#N)n1)NC(=O)[C@@H]1CCC(=O)N1 1114966407 CPJWYCCDPXWVNK-QWRGUYRKSA-N 316.365 -0.254 30 20 DBED CN(CCOCCNC(=O)CNC(N)=O)c1ncccc1C#N 1115166943 FBRSSSNMLQWTLA-UHFFFAOYSA-N 320.353 -0.809 30 20 DBED C#CCC[C@@H](O)CNC(=O)CCc1nc(O)c2cnn(C)c2n1 1116905329 WKLAEJMTIAFZRQ-SNVBAGLBSA-N 317.349 -0.108 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCC(Cn2cncn2)CC1 1117437259 WQIIYJMOVCGKFA-UHFFFAOYSA-N 319.365 -0.717 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)NCCCCS(C)(=O)=O 1118154709 DXCHETRDMRHYGX-JTQLQIEISA-N 311.429 -0.263 30 20 DBED C#CCNC1(CNC(=O)CS(=O)(=O)NC)CCCCC1 1120152825 MUAOBRAFNHAPRX-UHFFFAOYSA-N 301.412 -0.423 30 20 DBED COCC#CCNC1CC2(C1)CC(NC(=O)Cn1ncnn1)C2 1121118084 YCTZHYAGKBJQIS-UHFFFAOYSA-N 318.381 -0.660 30 20 DBED CCCC(=O)NCC(=O)NC[C@@H](CO)Nc1ccc(C#N)nc1 1121160614 ZXDXKMKIRAXNRH-ZDUSSCGKSA-N 319.365 -0.241 30 20 DBED CCNC(=O)CCC(=O)NC[C@@H](CO)Nc1nccnc1C#N 1121204184 DDFZJFMCAURCIA-JTQLQIEISA-N 320.353 -0.846 30 20 DBED COc1ccnc(N[C@H](CO)CNC(=O)c2ccc(C#N)[nH]2)n1 1121317498 MVQPBAKHWMOZNI-JTQLQIEISA-N 316.321 -0.112 30 20 DBED Cn1cc(C(=O)NC[C@H](CO)Nc2ccc(C#N)cn2)nn1 1121433609 XTZULUHXLPENQG-SNVBAGLBSA-N 301.310 -0.715 30 20 DBED Cc1nc(O)[nH]c1C(=O)NC[C@H](CO)Nc1nccnc1C#N 1122213393 KGOCUOBCOIZKBQ-MRVPVSSYSA-N 317.309 -0.712 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)c1c(C)noc1C 1123363713 PVWBZLRGBRKIOZ-UHFFFAOYSA-N 323.353 -0.377 30 20 DBED C#CCN(CC#C)C(=O)c1cnn2c1S(=O)(=O)N(C)CC2 1123633372 PQXLGSDPVLNWPZ-UHFFFAOYSA-N 306.347 -0.774 30 20 DBED CN(C[C@H](O)CNc1nccnc1C#N)C(=O)c1cccnn1 1124460589 PVIMZKNUBTWQCE-SNVBAGLBSA-N 313.321 -0.317 30 20 DBED CN(C[C@@H](O)CN(C)c1ccc(C#N)nn1)C(=O)c1cocn1 1124989229 RYZAKWGZEDSACM-NSHDSACASA-N 316.321 -0.094 30 20 DBED C#CCOCCC(=O)NCCNCC(=O)NCC(F)(F)F 1127027266 NLXGIOJFZANKQJ-UHFFFAOYSA-N 309.288 -0.589 30 20 DBED C=C(C)CN[C@H]1CCN(c2cccc(CNC(=O)C(N)=O)n2)C1 1127846239 RJTKIMAMFSMVBF-ZDUSSCGKSA-N 317.393 -0.073 30 20 DBED C#CCCN1CCOC[C@@H]1c1n[nH]c(CNC(=O)COCC)n1 1130829546 ZSKXKNNTXFTYNV-GFCCVEGCSA-N 321.381 -0.146 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1nc(C)c(C)nc1C 1131114647 QIMQEPBAGAQYJH-ZDUSSCGKSA-N 317.393 -0.141 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)COCCCOC)C[C@@]3(C1)O2 1131283255 RNISPVMNWIMNKW-ZMSDIMECSA-N 322.405 -0.026 30 20 DBED C#CCCCCC(=O)N1CCC(=O)NCCN(CCO)CC1 1131351179 BVBVYTQQLMBNTG-UHFFFAOYSA-N 309.410 -0.177 30 20 DBED C[C@@H]1CC[C@H](NC(=O)c2cnsn2)CN1CC(=O)NCC#N 1131849384 RXQWKCPNTYSHCW-ZJUUUORDSA-N 322.394 -0.239 30 20 DBED COCC#CCN1C[C@@H](NC(=O)CN2CCOCC2)CC[C@@H]1C 1131968777 RSBQDFLJGBZGRL-HOTGVXAUSA-N 323.437 -0.063 30 20 DBED Cc1cnn(CC(=O)N[C@H](C)C[C@@H](C)NCC(=O)NCC#N)c1 1133843982 LNBYIHSVEFHMHE-CHWSQXEVSA-N 320.397 -0.296 30 20 DBED C#CCOCCC(=O)N[C@H](C)C[C@@H](C)NCCN1CCNC1=O 1134351639 IQUMLFKASUBXHS-ZIAGYGMSSA-N 324.425 -0.076 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)CCCCC(N)=O 1135889966 CFVRZVZYPIQQTE-STQMWFEESA-N 324.425 -0.346 30 20 DBED C=CCNC(=O)CN1CCC2(C1)CN(C(=O)c1cnccn1)C2 1146914643 OBTKHJQXLWFBNZ-UHFFFAOYSA-N 315.377 -0.073 30 20 DBED C=CCNC(=O)CN1CCC2(C1)CN(C(=O)[C@H]1CCN(C)C1)C2 1148748852 ZCSCDVVHOGEWOK-AWEZNQCLSA-N 320.437 -0.225 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(Cc2cnnn2C)CCCO1 1149430372 BIBVMOQLAYQPKH-CQSZACIVSA-N 323.397 -0.275 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(CCOCCO)CCCO1 1149694626 QRAAQQHRFOSSRS-HNNXBMFYSA-N 310.394 -0.384 30 20 DBED C[C@]1(C(=O)NC[C@H]2CN(CC#N)CCCO2)CCC(=O)NC1 1150160277 XPAWSHNFNNTBMA-WFASDCNBSA-N 308.382 -0.367 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)CCCC(=O)NC 1152888183 QFKVACSAFCLZNG-CYBMUJFWSA-N 324.425 -0.521 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)c1nn(CC)nc1C 1153757118 SVMYASUKRHKAFA-NSHDSACASA-N 308.386 -0.383 30 20 DBED C=CCOCC(=O)NCCCNC[C@@H](O)CO[C@H](C)COC 1155707306 GCPIAZDQMPSYFT-ZIAGYGMSSA-N 318.414 -0.303 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)c1cc(OC)no1 1156900830 CNRJEMUXOWBSGB-SNVBAGLBSA-N 308.338 -0.469 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)Cn2nccn2)C1=O 1158909185 LFWYHOMACZSQFU-LBPRGKRZSA-N 306.370 -0.839 30 20 DBED CC#CCN1CCC(CNC(=O)[C@H]2C[C@H]2C(N)=O)(COC)CC1 1162492526 GXGXKSRLWQZKBH-KGLIPLIRSA-N 321.421 -0.024 30 20 DBED C#CCCN1CCC(CNC(=O)[C@H]2C[C@H]2C(N)=O)(COC)CC1 1162492707 LDPIZSSUYSUSQO-KGLIPLIRSA-N 321.421 -0.024 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1csc2cncn12 1167515755 RJPXWWMXDPSGCH-UHFFFAOYSA-N 319.390 -0.145 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)c1ccc(C#C)cn1 1171589632 HQLLIJAPUDPRNG-ZDUSSCGKSA-N 312.373 -0.090 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)[C@H]2CCN(C)C2)C1=O 1176057056 MLZDNGBJGBTTPI-KBPBESRZSA-N 308.426 -0.179 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)CCOCCOC)C[C@H]21 1177161756 GQFHCZAGBHCNKR-HUUCEWRRSA-N 310.394 -0.026 30 20 DBED CC#CCN[C@H]1CCN(C(=O)Cn2ccc(O)nc2=O)[C@H]1C 1179087774 ZETIGRCJSKFHLQ-RYUDHWBXSA-N 304.350 -0.449 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)CCc2ncc[nH]2)C1 1182204919 VYPHGUXIKPBROX-GFCCVEGCSA-N 303.366 -0.718 30 20 DBED C=CCn1cc(C(=O)N2C[C@@H](C)[C@](C)(CNCC(N)=O)C2)nn1 1182839727 QEDBJCGICSNIPW-IAQYHMDHSA-N 320.397 -0.363 30 20 DBED C[C@H](C(=O)NC(N)=O)N1C[C@@H]2CCN(C(=O)C#CC3CC3)[C@@H]2C1 1187832903 DWWPJDLYMYUCGE-KGYLQXTDSA-N 318.377 -0.484 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)CCc2cn(C)nn2)C1 1188446818 SIEDJUMCDRHOAZ-GFCCVEGCSA-N 320.397 -0.760 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(CCOC2CCC2)C[C@H]1O 1192891395 LZGHINHRFBYHHK-NWANDNLSSA-N 310.394 -0.245 30 20 DBED C=C(C)[C@@H](CC(=O)N[C@@H]1CN(CC(=O)NC)C[C@H]1O)OCC 1193422690 VZAUQRKPHVXQRM-JHJVBQTASA-N 313.398 -0.735 30 20 DBED C#CCC1(C(=O)N[C@@H]2CN(Cc3nc(O)n[nH]3)C[C@H]2O)CCC1 1193684650 BLERGKRRCBEVDL-GHMZBOCLSA-N 319.365 -0.635 30 20 DBED C#CCNC(=O)[C@H](C)N1CCCN(C(=O)[C@@H](C)COC)CC1 1195267478 KFNPHTZHQRXOJU-KBPBESRZSA-N 309.410 -0.059 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1CN(CCNC(=O)C2CC2)C[C@H]1O 1195312085 CTUCAHGAGKFPBR-CHWSQXEVSA-N 309.410 -0.114 30 20 DBED COCC#CCN1CCCN(C(=O)[C@H]2CN(C)C(=O)N2)CC1 1196732180 NQGQPDFTSYOORC-CYBMUJFWSA-N 308.382 -0.806 30 20 DBED C#CCNC(=O)CNC[C@H]1CN(C(=O)C2CCC2)CCCO1 1199662079 FYDJTVPZSIXRAF-AWEZNQCLSA-N 307.394 -0.257 30 20 DBED C#CCNC[C@H]1CN(C(=O)CCN2CCCC2=O)CCCO1 1202087893 OPLQFOANIJDPJM-AWEZNQCLSA-N 307.394 -0.161 30 20 DBED CC#CCNC1CCN(C(=O)CN2C(=O)NC(C)(C)C2=O)CC1 1203574573 ZIPCJEGHNQXYRF-UHFFFAOYSA-N 320.393 -0.079 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCC(CN[C@H](C)C(N)=O)CC1 1205479782 XZUJHOJRWXJGNR-HIFRSBDPSA-N 320.437 -0.214 30 20 DBED C[C@@H]1OCC[C@H]1C(=O)N1CCC(CNCC(=O)NCC#N)CC1 1206688112 JOBRPWAHKJUYRE-GXTWGEPZSA-N 322.409 -0.121 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)Cc2cncn2C)C1 1210668061 KTYFEBQPDIHKFG-CYBMUJFWSA-N 317.393 -0.707 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1211420571 KYVVKALBAZKOOC-CHWSQXEVSA-N 308.382 -0.345 30 20 DBED COCC#CCN1C[C@@H](NC(=O)CCc2cn(C)nn2)[C@H](C)C1 1211487217 OJLUCIYHTZHNCR-UKRRQHHQSA-N 319.409 -0.166 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)COc1c(C)nn(C)c1C 1212291375 IZAAZYQAEAODKY-CHWSQXEVSA-N 321.381 -0.245 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)CNC(=O)c1ccoc1 1212313016 BLLHAMFRHZFICM-VXGBXAGGSA-N 306.322 -0.652 30 20 DBED CCn1ccc(C(=O)N[C@@H]2CN(CC#CCOC)C[C@H]2OC)n1 1213526334 IGWFIGOBGVKKFR-HUUCEWRRSA-N 320.393 -0.018 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)C1(NC(N)=O)CCCCC1 1213529004 IKAASVFHTRUODP-VXGBXAGGSA-N 323.397 -0.303 30 20 DBED C=CCN1C[C@@H](NC(=O)CS(=O)(=O)C(C)C)[C@H](OC)C1 1213874623 ZQBAMTOUVKELOE-VXGBXAGGSA-N 304.412 -0.189 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@@H](CCC)S(N)(=O)=O)C[C@H]1C 1215223816 AHCDOWPBZUWOQK-IJLUTSLNSA-N 301.412 -0.487 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)Cn2ccnc2)C[C@H]1C 1217000834 QKZXGWINJBSWCQ-CHWSQXEVSA-N 305.382 -0.378 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(CCCN2CCCC2=O)C[C@@H]1O 1219573032 IXDSICYCWNABAS-CABCVRRESA-N 321.421 -0.180 30 20 DBED CC(C)(NC(=O)C(F)(F)F)C(=O)N[C@@H]1CN(CC#N)C[C@@H]1O 1221058167 IGBKWLUQTIRYOQ-SFYZADRCSA-N 322.287 -0.872 30 20 DBED C=CCNC(=O)CN1CC[C@@H]2CN(C(=O)CCN(C)C)[C@@H]2C1 1221788081 GSYFBFBYHLJELO-ZIAGYGMSSA-N 308.426 -0.227 30 20 DBED COCCOC[C@H](O)CN1CCC(NC(=O)[C@H](C)C#N)CC1 1226640489 NSFAWZRJEJEFIV-TZMCWYRMSA-N 313.398 -0.249 30 20 DBED Cn1cncc1C(=O)NC1CCN(CC(=O)NCC#N)CC1 1228169027 SSGPBVBLGJKQNN-UHFFFAOYSA-N 304.354 -0.746 30 20 DBED C#CCN1CCS(=O)(=O)[C@@H](CCNC(=O)C#CC(C)C)C1 1230459102 BJOQSOLNTPAEMP-AWEZNQCLSA-N 310.419 -0.116 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)c1ccc(C#N)[nH]1 1233691818 CSAYNFCWMRNDFK-ZDUSSCGKSA-N 313.361 -0.218 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)c1ccc(C)nn1 1234139177 FOEKSXVDXBHIAG-ZDUSSCGKSA-N 315.377 -0.319 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)C1(N(C)C)CCC1 1235317843 CRFDVSYIZQBNAR-AWEZNQCLSA-N 320.437 -0.247 30 20 DBED C=CCS(=O)(=O)CCNC(=O)Cc1nnc(NC)s1 1320177352 WSPBXYFLPKWZEA-UHFFFAOYSA-N 304.397 -0.161 30 20 DBED C=C[C@H](COC)NC(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 1320294105 JIISUIMAQZCDHD-MNOVXSKESA-N 305.400 -0.089 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2CC[C@](F)(C#N)C2)C1=O 1325093928 RRYIMOREQFWGOW-ABAIWWIYSA-N 322.340 -0.304 30 20 DBED COC(=O)c1nsc(NC(=O)[C@@H](C)n2cnc(C#N)n2)n1 1326445806 GBYXTHHCAXIUOH-RXMQYKEDSA-N 307.295 -0.012 30 20 DBED C#CCOCCNC(=O)C(=O)NCCNc1ncccc1C#N 1326794819 ZOZWKANLDWYPRJ-UHFFFAOYSA-N 315.333 -0.753 30 20 DBED C#CCN(C)C(=O)C(=O)Nc1cnn(CCN2CCOCC2)c1 1327189832 RZANNDLMWUYQFS-UHFFFAOYSA-N 319.365 -0.755 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N1CC[C@@H]2NC(=O)CC[C@H]2C1 1328192832 GRGIBELTFHROFV-KBPBESRZSA-N 315.373 -0.401 30 20 DBED C#CC1CCN(C(=O)C(=O)N2CC[C@@H]3NC(=O)CC[C@H]3C2)CC1 1328258162 GXQHAIKUMWCSJI-KBPBESRZSA-N 317.389 -0.015 30 20 DBED CC(C)CC(=O)N1CCC(NC(=O)NCC(=O)NCC#N)CC1 1328678999 KEFCVXQWQJWNDS-UHFFFAOYSA-N 323.397 -0.038 30 20 DBED CCN1C[C@H](CNC(=O)C(=O)N2CCC[C@H](C#N)C2)CC1=O 1333114914 QJNXYSZEUFHURE-NEPJUHHUSA-N 306.366 -0.267 30 20 DBED C#CCN(C(=O)C(=O)NCCS(=O)(=O)C1CC1)C(C)C 1333582017 DYFLNFDEYNZGIX-UHFFFAOYSA-N 300.380 -0.450 30 20 DBED C#CCN(CC)c1nnnn1C[C@H]1CCCN1S(C)(=O)=O 1334217186 XGPVFICOOJTFEF-LLVKDONJSA-N 312.399 -0.443 30 20 DBED C#CCOCCn1nnnc1N1CCO[C@@H](COC(C)C)C1 1335756049 MBZGCXZFMDGCOH-CYBMUJFWSA-N 309.370 -0.047 30 20 DBED COC(=O)CN(CC#N)C(=O)c1cnn(-c2ccccn2)c1N 1347668876 OEDBMOAPLXWODW-UHFFFAOYSA-N 314.305 -0.012 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2C[C@@H](C)C[C@H](CO)C2)nn1 1349046431 UBCLERBTMYGUII-RYUDHWBXSA-N 321.381 -0.443 30 20 DBED Cc1nn(C)c(NC(=O)c2cn(CC(=O)N(C)C)nn2)c1C#N 1361667147 QLPXXPCOQMFMBS-UHFFFAOYSA-N 316.325 -0.468 30 20 DBED N#Cc1cc(C(=O)N2C[C@@H](C(N)=O)[C@@H](C(N)=O)C2)ccc1F 1362707120 OKQYVPIHYSEYRF-AOOOYVTPSA-N 304.281 -0.644 30 20 DBED C[C@@H](C#N)C(=O)N1CC([C@@H](C)NC(=O)CN(C)C(=O)C2CC2)C1 1370132293 TWZIQBQRNPGQNJ-WDEREUQCSA-N 320.393 -0.022 30 20 DBED CCCS(=O)(=O)CC(=O)N[C@@H]1CCN(C(=O)[C@H](C)C#N)C1 1372034255 BEAABISKORDAHZ-GHMZBOCLSA-N 315.395 -0.312 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNCc1cc(O)nc(C2CC2)n1 1379189889 OWEBVDKAJUKMIX-JOYOIKCWSA-N 319.365 -0.214 30 20 DBED C=C(Cl)CNC[C@@H](O)CN(C)C(=O)c1cn(C)c(=O)n1C 1379862004 IVCLVEMYLSICQH-SNVBAGLBSA-N 316.789 -0.501 30 20 DBED CNC(=O)NCC(=O)N(C)[C@H](CNC(=O)[C@H](C)C#N)C1CC1 1381753793 YVSUMIIKGTYPBW-MWLCHTKSSA-N 309.370 -0.572 30 20 DBED C[C@@H](C#N)C(=O)N(CCNC(=O)[C@H]1CCNC(=O)C1)C1CC1 1387474799 SZSBNCREDFQNES-QWRGUYRKSA-N 306.366 -0.221 30 20 DBED CCN(CCNC(=O)CN(C)C(C)=O)C(=O)c1cc(C#N)c[nH]1 1388194048 PDXANCINAPNCSI-UHFFFAOYSA-N 319.365 -0.057 30 20 DBED C[C@H](CNC(=O)[C@H](C)C#N)NC(=O)CNC(=O)N1CCCC1 1392327425 YJABWOYURPJZPL-GHMZBOCLSA-N 309.370 -0.428 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](C)CNC(=O)C1(S(C)(=O)=O)CCC1 1400067101 AZKMVOFNCXXOSJ-VHSXEESVSA-N 315.395 -0.266 30 20 DBED CCN(C)C[C@@H]1CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)C1 1411862869 GJXBLSNLUJHUHG-NSHDSACASA-N 319.365 -0.379 30 20 DBED C[C@H](C#N)C(=O)NCCN1CCN(C(=O)c2ccncn2)CC1 1414756513 JZMWVRCDMFYZDD-GFCCVEGCSA-N 316.365 -0.490 30 20 DBED Cc1nn2cccnc2c1S(=O)(=O)N1CCO[C@H](C#N)C1 1423681367 RZVFZNVLCWWKGC-SNVBAGLBSA-N 307.335 -0.049 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@@H]1CCN(C(=O)C2(NC(N)=O)CC2)C1 1427437083 CECVDWIUAAYRRX-NXEZZACHSA-N 307.354 -0.594 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CCN(C(=O)CCn2ccnn2)C1 1428870318 ULCTYSAOFZSAKB-NWDGAFQWSA-N 304.354 -0.207 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](C)CCNC(=O)CN(C)S(C)(=O)=O 1429059000 JZMAYCLIFAKTCQ-VHSXEESVSA-N 318.399 -0.952 30 20 DBED C[C@@H](C#N)C(=O)NCC1CCN(C(=O)c2cn(C)nn2)CC1 1429702795 NZYLTZBFLFGQLA-JTQLQIEISA-N 304.354 -0.057 30 20 DBED CCN(CCC#N)C(=O)CN1CCOC[C@@H]1CNC(=O)C1CC1 1440234756 KGHZOPWMKUXFME-AWEZNQCLSA-N 322.409 -0.024 30 20 DBED C[C@@H]1OCC[C@]1(C)NC(=O)CCn1cc(C#N)c(O)nc1=O 1447594839 RMBJGWGAQXBQIC-XPTSAGLGSA-N 306.322 -0.106 30 20 DBED C=CCNC(=O)[C@H](C)NC[C@H]1CCCCN1C(=O)CNC(C)=O 1480336983 IHQPIYKSSBYSJB-GXTWGEPZSA-N 324.425 -0.216 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(NC(=O)CNC(=O)C2CC2)CC1 1492124783 FUOPUPAJFVMCNG-JTQLQIEISA-N 306.366 -0.221 30 20 DBED C#CCNS(=O)(=O)c1cccc(C(=O)N2CC3(CNC3)C2)c1 1574735449 IVFITGXLBHSALL-UHFFFAOYSA-N 319.386 -0.357 30 20 DBED CCOC(=O)[C@H](CO)NC(=O)[C@@H]1NCCc2cc(C#N)ccc21 1577914109 NFXNJRVGZQGCEB-UONOGXRCSA-N 317.345 -0.215 30 20 DBED CN1CC[C@H](CNc2cnc(C#N)c(-c3nn[nH]n3)n2)CC1=O 1579347538 IGXBDTCUEKNVLX-QMMMGPOBSA-N 313.325 -0.191 30 20 DBED C#CCN(CC(=O)O)C(=O)NCc1nc([C@@H]2CCCO2)n[nH]1 1588408908 LNFIJHRNGMTNCF-VIFPVBQESA-N 307.310 -0.114 30 20 DBED C[C@@H](C(=O)N1CCN([C@H](C)CC(=O)O)CC1)n1cnc(C#N)n1 1592405916 IUANPVBPKPUNJO-MNOVXSKESA-N 320.353 -0.282 30 20 DBED C=CC(C)(C)NC(=O)Cn1cc(-c2nn[nH]n2)c(O)nc1=O 1602786663 CMOOYSPDKRMGAF-UHFFFAOYSA-N 305.298 -0.790 30 20 DBED CC#CCS(=O)(=O)NC(=O)c1ccc(-c2nn[nH]n2)nc1 1602899528 ZTDDPBYJDOCDMW-UHFFFAOYSA-N 306.307 -0.655 30 20 DBED CC(C)CN(CCC(=O)O)S(=O)(=O)N1CCO[C@@H](C#N)C1 1603811689 IJFBBJIIASNJPH-NSHDSACASA-N 319.383 -0.112 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N1CCO[C@@H](CC(=O)O)C1 1604059453 FSGMVQFZLDMNAT-ZJUUUORDSA-N 305.356 -0.359 30 20 DBED CN(C)c1cc(C(=O)N[C@H](C#N)CO)cc(-c2nn[nH]n2)c1 1604695545 BYSZPTKYARRUFL-SNVBAGLBSA-N 301.310 -0.453 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@H]1CCO[C@H]1C(=O)O 1605419084 PRNYXOQHSKDLSD-LPEHRKFASA-N 305.356 -0.456 30 20 DBED N#CC1CCN(C(=O)C(=O)NCC2(C(=O)O)CCOCC2)CC1 1605582629 AFSFFRPKQPPMIV-UHFFFAOYSA-N 323.349 -0.254 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)NCC1CCS(=O)(=O)CC1 1647179806 PGMHBZKNBTWDOD-JTQLQIEISA-N 323.440 -0.263 30 20 DBED N#CCNC(=O)CN1CCCC[C@H]1CNC(=O)[C@H]1CCCO1 1752813324 BIQBEKVNAKCVBV-QWHCGFSZSA-N 308.382 -0.224 30 20 DBED C=CCNC(=O)CN1CC[C@H](CNC(=O)[C@@H](CC)NC(C)=O)C1 1753135165 KRMQJUGEYNFHPH-ZIAGYGMSSA-N 324.425 -0.359 30 20 DBED CC(=O)NCCOCCN1CC(NC(=O)c2ccc(C#N)[nH]2)C1 1753374399 CXFMNQXDEREYPF-UHFFFAOYSA-N 319.365 -0.547 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC(CNC(=O)CN2CCOCC2)C1 1753399206 AXGXZBHXEOXSBX-CYBMUJFWSA-N 324.425 -0.943 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC[C@@H]1CNC(=O)CCn1cncn1 1754473717 OXTBOJQKVQDOKL-CHWSQXEVSA-N 320.397 -0.451 30 20 DBED Cn1cc(Cl)c(C(=O)NC[C@@H]2CCN2CC(=O)NCC#N)n1 1754482696 QWXWWWCJCBZHKA-VIFPVBQESA-N 324.772 -0.483 30 20 DBED C#CCNC(=O)[C@@H](C)NC1(CNC(=O)c2cnn(CC)c2)CC1 1754510922 PJYOJWVJHICHEQ-GFCCVEGCSA-N 317.393 -0.107 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@]1(O)CCN(CCn2cccn2)C1 1754751523 NZLUWACMFGERNQ-GDBMZVCRSA-N 320.393 -0.526 30 20 DBED C[C@H](NCC#N)[C@H]1CCN(C(=O)COCc2nncn2C)C1 1754803136 KMKIOTHBJGAMHE-RYUDHWBXSA-N 306.370 -0.318 30 20 DBED C=CCN1CCC[C@](CO)(NC(=O)[C@H]2CCN(C)C(=O)C2)C1 1754855312 MXBXDFAOWDBSIS-BBRMVZONSA-N 309.410 -0.016 30 20 DBED Cc1cnn(CC(=O)N[C@H](C)[C@@H](C)NCC(=O)NCC#N)c1 1755228923 VGYSTHGRLZCITN-VXGBXAGGSA-N 306.370 -0.686 30 20 DBED C#CCNC(=O)CN1CC([C@@H](C)NC(=O)c2cnn(CC)c2)C1 1755380382 DJGFTQQHHCILDU-GFCCVEGCSA-N 317.393 -0.298 30 20 DBED N#CCNC(=O)CN1C[C@H]2[C@H](CNC(=O)c3ccccn3)[C@H]2C1 1755429723 FUJWXEJBXSNDBR-XYYAHUGASA-N 313.361 -0.371 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H](C)CN(C)C(=O)Cc1ccn(C)n1 1755585858 CVJWDEAGOYKXDI-STQMWFEESA-N 319.409 -0.463 30 20 DBED C=CCCN[C@@H](CO)CNC(=O)c1nc2ncc(C)cn2n1 1755631759 KMWXAKJSOPDCJK-LLVKDONJSA-N 304.354 -0.311 30 20 DBED C=CCC1(C(=O)NC[C@@H](CO)NCC(=O)NC)CCOCC1 1755644898 HBABIFJIFBLBMJ-LBPRGKRZSA-N 313.398 -0.828 30 20 DBED C=CCNC(=O)[C@@H](C)NC[C@@H](O)CN(C)C(=O)c1ccnn1C 1755774998 OLNADNIISPGNCX-VXGBXAGGSA-N 323.397 -0.867 30 20 DBED C#Cc1ccc(C(=O)N(C)CCOCCNCC(N)=O)cc1 1755874975 ALJSQEXEENYTMS-UHFFFAOYSA-N 303.362 -0.169 30 20 DBED C[C@H](C#N)C(=O)N(C)CCOCCNC(=O)Cn1ccnc1 1756377115 JXNAXTDIKHVUNT-GFCCVEGCSA-N 307.354 -0.366 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(C(=O)CCCC(N)=O)[C@H]1C 1756565173 BYOVGPTZWIMLLL-RYUDHWBXSA-N 311.382 -0.050 30 20 DBED C=CCOCC(=O)N[C@H]1C[C@@H](C)N(C(=O)Cc2nc[nH]n2)C1 1756600590 HSZXDKFKEVDTDB-MNOVXSKESA-N 307.354 -0.345 30 20 DBED C=CCOCC(=O)N(C)C[C@@H](O)CNC(=O)[C@@H]1CCCN1C 1756655154 DHRMNRNQYQLBPJ-STQMWFEESA-N 313.398 -0.781 30 20 DBED C=CCOCC(=O)NCC1=CCN(C(=O)[C@H](C)CC(N)=O)CC1 1756763683 WDKYVCQSGPDKNF-GFCCVEGCSA-N 323.393 -0.025 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@H](NC(=O)C2CCN(C)CC2)C1 1757011108 ASLMJZOXWXYBEZ-ZIAGYGMSSA-N 309.410 -0.018 30 20 DBED N#CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc[nH]n3)C[C@@H]21 1786363980 LXPFTFQGPNWROX-GVXVVHGQSA-N 317.349 -0.083 30 20 DBED CC(C)[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC#N)C2 1793071057 FXVJPGVJAKXVAG-AYRXBEOTSA-N 323.393 -0.103 30 20 DBED CCN(C)[C@H](C)C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1845749474 ATQPOVDEPJIZLP-GFCCVEGCSA-N 321.377 -0.382 30 20 DBED CC1=C(C(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)CCO1 1846195469 UFWXLUYWKYEXBK-UHFFFAOYSA-N 318.329 -0.028 30 20 DBED CCn1cc(C#N)c(=O)n(CC(=O)NC[C@@H]2CCCO2)c1=O 21593045 LLDNICIALIEYFU-NSHDSACASA-N 306.322 -0.803 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)OCCCC)c1=O 60892037 BLQLFPDJCMJYST-UHFFFAOYSA-N 323.349 -0.113 30 20 DBED C#CCN1CCN(C(=O)CN2CCOC[C@H]2C[C@H](C)O)CC1 157153322 ZYBKPMKMMGLIJS-LSDHHAIUSA-N 309.410 -0.765 30 20 DBED C#CC[C@H](NS(=O)(=O)c1ccc(C(=O)NC)cc1)C(=O)O 159573347 CQPMFXLHODUFGL-NSHDSACASA-N 310.331 -0.199 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)[C@@H](C)CS(C)(=O)=O)C1=O 280987334 AEFYPSKHCIZGIJ-WDEREUQCSA-N 302.396 -0.088 30 20 DBED CCc1nc2n(n1)C[C@@H](/N=C(/O)c1cn(C)c(=O)nc1O)CC2 329322387 URSVTEHGJAKWGZ-QMMMGPOBSA-N 318.337 -0.041 30 20 DBED C[C@H](CN1CCOCC1)N/C(O)=N/C[C@H]1CN(C)CCN1C 329374904 NOUMKUUNOYGCOJ-KGLIPLIRSA-N 313.446 -0.544 30 20 DBED O/C(=N/[C@H]1COC[C@H]1n1ccnn1)N1C[C@H]2[C@@H](O)CC[C@H]2C1 329515635 OPEYBQABAYUFGS-OFTGVCEQSA-N 307.354 -0.165 30 20 DBED Cc1noc([C@H]2C[C@@H](O)CN2/C(O)=N/[C@@H]2CC(=O)N(C)C2)n1 329912253 OFXLWEWMRPOWBT-OPRDCNLKSA-N 309.326 -0.370 30 20 DBED Cn1nnnc1C/N=C(/O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 329925356 VKJZVZNXTGGPHL-RJVLYZLMSA-N 316.321 -0.526 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)NCCNC(=O)C1CC1 336895010 MKFGZHXGNGWJFG-SNVBAGLBSA-N 302.400 -0.171 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N(C)CC(=O)NCCCOC 337377783 WKXORQNQZQIDIS-NSHDSACASA-N 314.386 -0.529 30 20 DBED CCOC(=O)CN(CCOC)S(=O)(=O)N(C)[C@H](C)CC#N 337954719 SZWNTQXYKVPDOW-LLVKDONJSA-N 321.399 -0.023 30 20 DBED CCCN(C(=O)c1cnn(C)c1C#N)[C@@H]1CC(=O)N(C)C1=O 338257500 SXCKKRRODYUJNR-SNVBAGLBSA-N 303.322 -0.099 30 20 DBED CCn1nccc1CN(C)S(=O)(=O)N1CCO[C@H](C#N)C1 338985308 FJQVZFKTTANZPO-GFCCVEGCSA-N 313.383 -0.196 30 20 DBED C[C@H]1COCCN1CCNS(=O)(=O)c1cncc(C#N)c1 352255439 GETLQZLXQOWGSD-NSHDSACASA-N 310.379 -0.048 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCCOCC(=C)C)C1=O 354878600 HCYMPHSDYYMKEP-UHFFFAOYSA-N 309.322 -0.328 30 20 DBED Cn1cc(CN2CCN(C(=O)c3cnn(C)c3C#N)CC2)cn1 355664364 UDXUIZKSPVTFSW-UHFFFAOYSA-N 313.365 -0.017 30 20 DBED CN(CCC#N)S(=O)(=O)N1CC(=O)N[C@H]2CCCC[C@H]21 408261406 OMRBRNKJFGZCLR-WDEREUQCSA-N 300.384 -0.180 30 20 DBED C[C@@H](CCC#N)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 411124071 GEQVXPZVFPNULL-ZDUSSCGKSA-N 308.382 -0.318 30 20 DBED N#Cc1ccc(OCCNC(=O)C(=O)N2CCNCC2)cc1 419458552 BQJQQBPKUXHQGS-UHFFFAOYSA-N 302.334 -0.515 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2C[C@H]3CCNC[C@@H]3C2)nn1 424549547 RNOQRNFRXVJAQE-VXGBXAGGSA-N 318.381 -0.852 30 20 DBED C=CCn1cc(CNC(=O)c2cc(O)nc(N(C)C)n2)nn1 424908250 NPDJNHLGNQBYIV-UHFFFAOYSA-N 303.326 -0.044 30 20 DBED N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@H](O)[C@@H](O)C1 434774551 MJHYBBKGPBNRCM-UWVGGRQHSA-N 313.291 -0.807 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCN[C@H](C)C2)C1=O 447515383 BVYSLBQWBJBIIZ-ZJUUUORDSA-N 308.338 -0.780 30 20 DBED COc1cc(C#N)ccc1NC(=O)C(=O)N1CC(=O)N[C@@H](C)C1 516849500 HXNUJBLBJMTLKI-VIFPVBQESA-N 316.317 -0.148 30 20 DBED N#Cc1nc(=NCCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc[nH]1 520429444 OQDCKDNZFPIJJF-NUZBWSBOSA-N 309.329 -0.011 30 20 DBED CCS(=O)(=O)NCCS(=O)(=O)N1CCC(CC#N)CC1 542844019 LTZPBLPLYZRQEO-UHFFFAOYSA-N 323.440 -0.119 30 20 DBED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N(C)CCNC(C)=O 566796331 YQZPVOMLPDVTMN-QWHCGFSZSA-N 311.382 -0.322 30 20 DBED COC(=O)[C@H](CO)NC[C@@H](O)COc1ccc(CC#N)cc1 571522559 ALYQXEYIYTZGEY-OCCSQVGLSA-N 308.334 -0.384 30 20 DBED N#Cc1c[nH]cnc1=Nc1cnn(CC(=O)N2CCOCC2)c1 579704658 LLHMHRPQDBRKIX-UHFFFAOYSA-N 313.321 -0.431 30 20 DBED CCc1nn(C)c(CC)c1S(=O)(=O)NCC(=O)NCC#N 586775519 GEUJNDBBEGICIL-UHFFFAOYSA-N 313.383 -0.537 30 20 DBED N#C[C@@H]1CSCCN1C(=O)[C@H]1CCCN(S(N)(=O)=O)C1 597475150 IFKPMSPODZTAIQ-VHSXEESVSA-N 318.424 -0.631 30 20 DBED CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)c1ccc(C#N)c(O)c1 598029819 SPLNQDFZQYWYQX-PWSUYJOCSA-N 310.331 -0.194 30 20 DBED N#Cc1ccccc1OC[C@@H](O)CNCCN1CC[C@@H](O)C1 600760599 WEOXHNHQQUZTLR-CABCVRRESA-N 305.378 -0.046 30 20 DBED CN1CCN(CC(=O)NCc2ccc(C#N)cc2)[C@H](CO)C1 602905476 SOYXLTXNODJMQZ-HNNXBMFYSA-N 302.378 -0.217 30 20 DBED CC#CC[C@H](CO)NC(=O)N[C@@H]1CCN(C2CCOCC2)C1=O 645341811 GEKBSWAZLQHFHZ-TZMCWYRMSA-N 323.393 -0.160 30 20 DBED C=CCn1cc(C(=O)N2CCNC[C@@H]2c2nccn2C)nn1 648132216 SYBJUTNZHBUFNT-GFCCVEGCSA-N 301.354 -0.016 30 20 DBED C=CCn1cc(CNC(=O)N2CC(N3CC[C@@H](O)C3)C2)nn1 651167083 WAJKLVSEFLOMLW-CYBMUJFWSA-N 306.370 -0.576 30 20 DBED C=C[C@@H]1OCC[C@H]1NC(=O)NCCNS(=O)(=O)N(C)C 665007622 BOAOQPKFVITSIO-ZJUUUORDSA-N 306.388 -0.975 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCN1CCN(S(C)(=O)=O)CC1 685638871 SACYFYKWDVENMZ-CYBMUJFWSA-N 319.427 -0.993 30 20 DBED N#CCNC(=O)COC(=O)Cn1cc(C(N)=O)c2ccccc21 731242504 FSMXUDOCFDUJLJ-UHFFFAOYSA-N 314.301 -0.077 30 20 DBED C#CCCNC(=O)NCCNc1ccc(-c2nn[nH]n2)cn1 735375673 ONPWVNVQDSAWEI-UHFFFAOYSA-N 300.326 -0.004 30 20 DBED C#CCN1CCN(C(=O)CN2CCN(CCCCO)CC2)CC1 750053511 NXXHUPLLUXJWAD-UHFFFAOYSA-N 322.453 -0.846 30 20 DBED C#CCNS(=O)(=O)c1cccc(C(=O)NN2CCCC2=O)c1 770545560 KJWCSIUGFWCHPQ-UHFFFAOYSA-N 321.358 -0.135 30 20 DBED C#C[C@@H](NC(=O)C(=O)Nc1ccn(CCOC)n1)[C@H]1CCCO1 773791850 DDKLRUHHLVKVHA-VXGBXAGGSA-N 320.349 -0.235 30 20 DBED CN(CC(=O)N1CCOCC1)S(=O)(=O)CC(C)(C)C#N 790017424 FIUHPVASKSJQPP-UHFFFAOYSA-N 303.384 -0.343 30 20 DBED C=C(CO)C(=O)N(C)CC(=O)N1CCC(C(=O)OCC)CC1 791345947 RWLOPXJWCVYVSJ-UHFFFAOYSA-N 312.366 -0.205 30 20 DBED CC[C@H](NN=Cc1nc2c(c(O)nc(=O)n2C)n1C)C(=O)O 793056590 HGOYYHPEZJWYAE-LURJTMIESA-N 308.298 -0.841 30 20 DBED C#CCCN1CCN(S(=O)(=O)c2ccnn2COC)CC1 795079461 DHZKQHXRLKHMQV-UHFFFAOYSA-N 312.395 -0.183 30 20 DBED C#CCOc1ccc(NC(=O)C(=O)N[C@H](CO)COC)cc1 797372304 WPGQKFNKYJYWLQ-GFCCVEGCSA-N 306.318 -0.239 30 20 DBED C#C[C@H](NC(=O)C(=O)NCCNC(=O)C(C)(C)C)[C@H]1CCCO1 804097913 LABMPPXYWVJXFY-NWDGAFQWSA-N 323.393 -0.438 30 20 DBED C[C@](O)(CNC(=O)NCC(=O)NCC#N)c1ccc(F)cc1 807554832 MXWFFJHPXQINFD-AWEZNQCLSA-N 308.313 -0.028 30 20 DBED O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CC[C@H](C(=O)O)C1 819691534 OQEOFRJQALNSFE-LZTQFINJSA-N 307.306 -0.164 30 20 DBED COC(=O)CN(CC#N)S(=O)(=O)c1cc(C(=O)O)c(C)o1 831163895 FZRMGCBTJLWMSY-UHFFFAOYSA-N 316.291 -0.027 30 20 DBED N#C[C@H]1CNC[C@@H]1NC(=O)CCOc1ccc(C(N)=O)cc1 843459491 FIVFMDGKRYAEFN-AAEUAGOBSA-N 302.334 -0.218 30 20 DBED C#C[C@H](NC(=O)C(=O)c1cc(S(N)(=O)=O)cn1C)C(C)C 847119170 ZXQWFNJIZYIYKR-JTQLQIEISA-N 311.363 -0.371 30 20 DBED C#C[C@](C)(CC)NCC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1 852097873 ZARZODIMSCPGFC-ZWNOBZJWSA-N 315.395 -0.609 30 20 DBED COC(=O)[C@@H]1CC[C@H](C(=O)OC)N(CC(=O)NCCC#N)C1 859597028 LAOCVCQWNOVSTF-GHMZBOCLSA-N 311.338 -0.557 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@H](C(=O)OC)CC[C@@H]1C(=O)OC 862824370 MHLHELRYLAKXCU-IJLUTSLNSA-N 311.334 -0.022 30 20 DBED O=C1OCCN1c1ccc(S(=O)(=O)NCC#CCO)cc1 867466921 CWGUXLKZWOZYMW-UHFFFAOYSA-N 310.331 -0.083 30 20 DBED CS(=O)(=O)NC1CN(C(=O)c2cccc(C#CCO)c2)C1 913009264 GBQOFNJQDJHRCL-UHFFFAOYSA-N 308.359 -0.596 30 20 DBED CCN(CCO)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 914535434 KXYFILYYKVCSTO-UHFFFAOYSA-N 311.363 -0.434 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C2CN(Cc3ccnn3C)C2)CC1 941347911 GQGZFAMFOZCOJT-ZDUSSCGKSA-N 316.409 -0.092 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CN2CCNC(=O)C2)[C@@H](C)C1 942560134 LIPSCNQLUGEGSW-UONOGXRCSA-N 306.410 -0.732 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCC[C@@H](NC(=O)C(N)=O)C1 943487003 KYSRFWJMJFMTOW-UPJWGTAASA-N 323.393 -0.050 30 20 DBED CO[C@H](C)C(=O)N1CCO[C@@H](CNC(=O)c2c[nH]c(C#N)c2)C1 944560854 RSOGKLBIWQODHD-MFKMUULPSA-N 320.349 -0.122 30 20 DBED Cc1cccn(CC(=O)N(C)C2CN(C(=O)[C@@H](C)C#N)C2)c1=O 954275523 GSUMVSFNXSXBPI-LBPRGKRZSA-N 316.361 -0.014 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](CNC(=O)C2CS(=O)(=O)C2)C1 958095807 CBGFTGKADZCRPB-DGCLKSJQSA-N 316.423 -0.594 30 20 DBED C#CCCN1C[C@H](O)[C@H](CNC(=O)c2c(C)nn(C)c2OC)C1 958450146 YPZLYUBDHZRYGM-OLZOCXBDSA-N 320.393 -0.217 30 20 DBED CO[C@H](C)C(=O)N1C[C@H](O)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 962387620 IVJDIUBSVLXCRY-FXAINCCUSA-N 306.322 -0.777 30 20 DBED Cc1ccnc(C(=O)NC[C@@H]2COCCN2C(=O)[C@@H](C)C#N)n1 964166793 KFXOBBFXKQRILZ-CMPLNLGQSA-N 317.349 -0.098 30 20 DBED C=CCN1CC[C@@H](NC2CC3(CC(NC(=O)C(N)=O)C3)C2)C1=O 964777658 RWBATMHODMVPOH-FUQGYSAHSA-N 320.393 -0.724 30 20 DBED Cc1nc[nH]c1C(=O)N1CC2(C1)CN(C(=O)[C@H](C)C#N)CCO2 965477753 OVHPRICUZGQWFH-SNVBAGLBSA-N 317.349 -0.069 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cc[nH]c2)C1 965952079 SCDXKGXTHVEYDU-MQYQWHSLSA-N 319.361 -0.093 30 20 DBED CO[C@H](C)C(=O)N1CC(N2CCN(C(=O)[C@@H](C)C#N)CC2)C1 967244681 OGPPWHHAWJNHGZ-NWDGAFQWSA-N 308.382 -0.464 30 20 DBED C=CCN1CC[C@H](C)[C@H](NC(=O)Cn2ccc(O)nc2=O)C1 967274049 OQCJTRRWTFSVGN-NWDGAFQWSA-N 306.366 -0.039 30 20 DBED C#CCN1CC([C@@H](C)NC(=O)c2ccc(-n3cnnn3)cn2)C1 970209127 BPNMOHUJZRHSKO-LLVKDONJSA-N 311.349 -0.259 30 20 DBED C=C(Cl)CN(C)[C@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1 972566086 PZBHXFFMWYOEAK-JTQLQIEISA-N 314.773 -0.177 30 20 DBED C=CCN1CCO[C@@]2(CCN(C(=O)Cn3c(O)nnc3O)C2)C1 972655684 ODIYLLFUERYYNW-AWEZNQCLSA-N 323.353 -0.821 30 20 DBED C=CCN1CC[C@H](N2C[C@H](NC(=O)C(N)=O)C(C)(C)C2)C1=O 974990416 AQHCSJGTEGJJKT-QWRGUYRKSA-N 308.382 -0.915 30 20 DBED C=CCN(C)[C@H]1CCN(C(=O)CN2CCS(=O)(=O)CC2)C1 980384171 YWGXPDOWLJXOSD-ZDUSSCGKSA-N 315.439 -0.565 30 20 DBED N#CCN1CCCN(C(=O)c2cnn3c(=O)cc[nH]c23)CC1 982110758 CRPZEQDIKNIIDR-UHFFFAOYSA-N 300.322 -0.306 30 20 DBED C#CCN1CCC(C(=O)NC2CN(C(=O)c3ncc[nH]3)C2)CC1 993855466 QDVWNVYCRHCXJR-UHFFFAOYSA-N 315.377 -0.305 30 20 DBED N#Cc1cc(C(=O)N2CC(NC(=O)c3cncnc3O)C2)c[nH]1 994428183 GEMVLMYJKPHJNV-UHFFFAOYSA-N 312.289 -0.364 30 20 DBED C#CCN1CCC(C(=O)N2CCC(N[C@H](C)C(N)=O)CC2)CC1 997365338 RMRGFUFKHHFOOM-CYBMUJFWSA-N 320.437 -0.214 30 20 DBED CO[C@@H](C)C(=O)N1CCC(=O)NCCN(C(=O)[C@H](C)C#N)CC1 1001730410 PWMKPOGTLGLNLA-NEPJUHHUSA-N 324.381 -0.642 30 20 DBED CN(C[C@H]1CCCN1C(=O)C#CC1CC1)C(=O)[C@@H]1CNC(=O)N1 1002490426 YRUAXBWBQHWYIQ-OLZOCXBDSA-N 318.377 -0.469 30 20 DBED C[C@H](NC(=O)[C@H]1COCCO1)C1CN(C(=O)C#CC2CC2)C1 1005735401 ZBWRTEQUQXXQSP-SMDDNHRTSA-N 306.362 -0.222 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CC[C@H]1CN2C(=O)CCn1cnnn1 1007486102 SFIGNBATSHYDNT-UTUOFQBUSA-N 317.353 -0.575 30 20 DBED CC(=O)N1CC(C(=O)NC2[C@H]3CN(C(=O)C#CC4CC4)C[C@H]23)C1 1013010223 JSQSGWUHMGQHCR-KBPBESRZSA-N 315.373 -0.549 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCN(C(=O)c3c[nH]c(=O)cn3)C2)C1 1019363009 KPECRSYUPLYLKD-JTQLQIEISA-N 315.333 -0.396 30 20 DBED C=C1CC(C)(C(=O)N2C[C@@H](O)[C@H](NC(=O)Cn3cccn3)C2)C1 1023060210 LXSHQIQGXQLMFF-CHWSQXEVSA-N 318.377 -0.073 30 20 DBED C=CCN1CC[C@@H](NC[C@H]2CCCN(C(=O)CC(N)=O)C2)C1=O 1023902608 CVSQSSVGRVJJDV-CHWSQXEVSA-N 322.409 -0.523 30 20 DBED Cc1nc(O)[nH]c1C(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1024187593 BKBKQEZOPXSKGV-GHMZBOCLSA-N 318.333 -0.861 30 20 DBED C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2cnc(O)n(C)c2=O)C1 1025504786 FEBHKNFPYYJNGC-NEPJUHHUSA-N 318.377 -0.051 30 20 DBED CN1CC[C@@H](C(=O)NC[C@H]2CCCN2CC#N)S1(=O)=O 1028196337 IWVYHCIRJHYLBW-MNOVXSKESA-N 300.384 -0.876 30 20 DBED C=C(Cl)CN1CC(NC(=O)CN2CCS(=O)(=O)CC2)C1 1031381233 VQIQHRWVPODCAZ-UHFFFAOYSA-N 321.830 -0.730 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)Cn3ccnc3)C2)C1=O 1031476466 PYFCWTNXHZULCG-ZDUSSCGKSA-N 303.366 -0.530 30 20 DBED CNC(=O)[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]c(C#N)c1 1032364622 NFTSCGVJSXAKFH-ICCXJUOJSA-N 301.350 -0.080 30 20 DBED C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCc2nnnn2CC1 1032639452 FFFUMWMLJDHNGY-IHRRRGAJSA-N 314.393 -0.066 30 20 DBED CN(C(=O)Cn1[nH]cc2c(=O)ncnc1-2)[C@@H]1CCN(CC#N)C1 1033509745 KPDHACWEWXWYKW-SNVBAGLBSA-N 315.337 -0.873 30 20 DBED C#CCCN1CC[C@H](N(C)C(=O)[C@H]2CN(C(C)=O)CCO2)C1 1033626279 PBBFHLVWWWHZIT-LSDHHAIUSA-N 307.394 -0.210 30 20 DBED CC#CCN1CC[C@@H](N(C)C(=O)[C@H]2CN(C(C)=O)CCO2)C1 1033629770 DNHHXRZYJABKBD-HUUCEWRRSA-N 307.394 -0.210 30 20 DBED C#CCN[C@H]1CCN(C(=O)CN2CCN(C)C(=O)C2)C[C@@H]1C 1036079105 GKLQPMVSHSQXOQ-KBPBESRZSA-N 306.410 -0.780 30 20 DBED C#CCN1CC[C@H]2CN(C(=O)Cn3c(O)nnc3O)CC[C@H]21 1036879670 RYUHFCPRBGFZSU-WDEREUQCSA-N 305.338 -0.755 30 20 DBED C=CCN1CC[C@H]2CN(C(=O)CN3C(=O)CN(C)C3=O)CC[C@@H]21 1036888882 QWYNLVYJFBROLA-STQMWFEESA-N 320.393 -0.011 30 20 DBED N#CCN1CC[C@@H]1CNC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 1038248854 ZGPDGPHLZZTMMN-WDEREUQCSA-N 302.338 -0.523 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2CCN2[C@@H]2CCNC2=O)nn1 1038788958 DAESMPAKQSAIKA-CMPLNLGQSA-N 304.354 -0.843 30 20 DBED O=C(C#CC1CC1)NC[C@@]1(O)CCN(C(=O)COCC2CC2)C1 1039678231 STXYHVHCHIHKNL-KRWDZBQOSA-N 320.389 -0.094 30 20 DBED C#CCN1[C@H]2CCC[C@H]1CN(C(=O)[C@@H]1CC(=O)NC(=O)N1)C2 1039935156 WRHOANXVUJVREF-SRVKXCTJSA-N 304.350 -0.717 30 20 DBED CC#CCCCC(=O)N1CC[C@@](O)(CNC(=O)c2nc[nH]n2)C1 1040548874 AZARETLMEVQMJU-OAHLLOKOSA-N 319.365 -0.309 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]2OCC)C1 1041686730 OFXPFHJWNTVUQZ-CHWSQXEVSA-N 308.378 -0.096 30 20 DBED C#CCCN1CC[C@H]2CCN(C(=O)c3nnc(O)nc3O)C[C@H]21 1042135468 WAMQQSBWCNYWEV-WDEREUQCSA-N 317.349 -0.158 30 20 DBED CN(C(=O)c1ccc(C#N)[nH]1)C1CN(CC(=O)N2CCC2)C1 1042625506 IAXAMQSSFHNEDB-UHFFFAOYSA-N 301.350 -0.125 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(O)CN(C(=O)CCCF)C1 1042814507 LUHUWFXQNIJKSV-CYBMUJFWSA-N 302.346 -0.247 30 20 DBED Cc1ccnn1CC(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042963855 XHWLAMSHFFIOEZ-UHFFFAOYSA-N 316.361 -0.706 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)COCC2CC2)C1 1043036931 UQZJRFBARKUGGD-LBPRGKRZSA-N 324.377 -0.859 30 20 DBED N#Cc1nccc(N2C[C@H](O)[C@H](NC(=O)C3=CCOCC3)C2)n1 1043919133 YRNSMUMWQUFVSY-NEPJUHHUSA-N 315.333 -0.639 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)c3cnon3)C2)cn1 1044122850 MPOMASUDKCTXJA-NEPJUHHUSA-N 300.278 -0.684 30 20 DBED Cc1ccc(C#N)c(N2C[C@H](O)[C@H](NC(=O)c3cnon3)C2)n1 1044123359 VOYAKCVRKMGDMB-NEPJUHHUSA-N 314.305 -0.376 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(O)(CNC(=O)c2cccnn2)C1 1045231753 JRHMZPPIHZSJOO-CQSZACIVSA-N 320.349 -0.893 30 20 DBED Cc1cncc(C(=O)N2CC(O)(CNC(=O)[C@@H](C)C#N)C2)c1 1045540131 DBFPNJQMUGPKBT-NSHDSACASA-N 302.334 -0.147 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)[C@]23CCC[C@H]2OCC3)C1 1045545697 ANSQUZDJLGDKDV-HSMVNMDESA-N 321.377 -0.205 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)CC(C)(F)F)C1 1046180654 RXFVKUBKZAFKOB-UHFFFAOYSA-N 306.309 -0.076 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)Cn2cccc(C)c2=O)C1 1047380090 YNTWNGCJIAQIPG-GJZGRUSLSA-N 317.389 -0.316 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@]2(C)CCCS2(=O)=O)C1 1047561267 ZMVKOQYVIGIHSG-SGMGOOAPSA-N 316.423 -0.357 30 20 DBED CN(C(=O)COCC1CC1)[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 1048362268 WIQCOCNBIZYGAF-GJZGRUSLSA-N 320.389 -0.144 30 20 DBED C=CCC(CC=C)C(=O)N(C)[C@H]1CN(C(=O)C(N)=O)C[C@@H]1O 1048893566 FTRPAGMKVJDWKH-RYUDHWBXSA-N 309.366 -0.730 30 20 DBED C#CCN1C[C@H]2CN(C(=O)c3coc(S(N)(=O)=O)c3)C[C@H]2C1 1048901155 WBNHJCZKUAWOEQ-TXEJJXNPSA-N 323.374 -0.436 30 20 DBED C#CCN1C[C@H]2CN(C(=O)CN3C(=O)NC(C)(C)C3=O)C[C@H]2C1 1049200271 LZVYVNSNKQWJDG-TXEJJXNPSA-N 318.377 -0.660 30 20 DBED C=CCN1C[C@H]2CN(C(=O)c3cn(C)c(=O)nc3O)C[C@H]2C1 1049211849 KISAMFVZYKIFGQ-PHIMTYICSA-N 304.350 -0.324 30 20 DBED Cn1cnc2cc(C(=O)NC[C@@H]3COCCN3CC#N)cnc21 1051057310 FZVCGNRAEKKVQC-GFCCVEGCSA-N 314.349 -0.078 30 20 DBED N#CCN1CCOC[C@@H]1CNC(=O)[C@H]1CCCS(=O)(=O)C1 1051144708 WTIKCDXZWPQAKK-RYUDHWBXSA-N 315.395 -0.848 30 20 DBED C=C(C)CN1CCOC[C@@H]1CNC(=O)[C@@H]1CCS(=O)(=O)N1 1051247691 LIIWHOWSDQALFF-RYUDHWBXSA-N 317.411 -0.929 30 20 DBED CN1CCO[C@@H](C(=O)N2CC[C@@H](N3CCN(CC#N)CC3)C2)C1 1052001264 TYDJRQFWCURRBH-HUUCEWRRSA-N 321.425 -0.941 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)Cc1cnn(C)c1)CCO2 1053189263 NLAKMRCMVQWGEZ-UHFFFAOYSA-N 302.378 -0.101 30 20 DBED C#CCN1CC2(C1)CN(C(=O)[C@@H]1CN3CCC[C@H]3CO1)CCO2 1053263051 GXNDTWORRLHFSR-GJZGRUSLSA-N 319.405 -0.604 30 20 DBED C=CCCN1CC2(C1)CN(C(=O)c1cc(=O)n(C)cn1)CCO2 1053291425 OOWQPHWKXMVXPS-UHFFFAOYSA-N 318.377 -0.117 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)CN1CCCNC1=O)CCO2 1053327317 AIPVBGUFWVBJIK-UHFFFAOYSA-N 320.393 -0.662 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)Cc2nc[nH]n2)C[C@@H]1C 1053480186 VNBNRPXKPFDONL-RYUDHWBXSA-N 321.381 -0.240 30 20 DBED C#CCN1CC2(C1)CN(C(=O)COC1CCN(C)CC1)CCO2 1053487657 PFLSDQQVJPLVDS-UHFFFAOYSA-N 321.421 -0.356 30 20 DBED CC(=O)N[C@@H](C)C(=O)N1C[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2C1 1055150011 CPWWOKULACICEX-TUKIKUTGSA-N 317.389 -0.159 30 20 DBED N#CCSCC(=O)N1C[C@@H]2CN(C(=O)c3nc[nH]n3)C[C@@H]2C1 1055182654 BXODJTZWNRWNJR-AOOOYVTPSA-N 320.378 -0.408 30 20 DBED C[C@]1(C(=O)N2CCN(c3cnc(C#N)cn3)CC2)CNC(=O)C1 1055963082 RRPKZNKAJDAXEN-OAHLLOKOSA-N 314.349 -0.477 30 20 DBED C[C@H](C(=O)N1CCN(c2cnc(C#N)cn2)CC1)S(C)(=O)=O 1056072085 OJAMNASNDUHFKT-SNVBAGLBSA-N 323.378 -0.570 30 20 DBED N#Cc1nccc(N2CCN(C(=O)[C@@H]3CCC(=O)NC3)CC2)n1 1056078997 JJFGXKDSCJEKIW-LLVKDONJSA-N 314.349 -0.477 30 20 DBED C[C@H](C#N)C(=O)N[C@]1(CO)CCCN(C(=O)CSCC#N)C1 1056094109 QBZRIGOPPXUGCT-BXUZGUMPSA-N 324.406 -0.127 30 20 DBED N#Cc1ccc(N2C[C@H]3[C@H](NC(=O)[C@H]4CCC(=O)N4)[C@H]3C2)cn1 1056148236 YRHOWLVKAJOIAG-COMQUAJESA-N 311.345 -0.217 30 20 DBED N#Cc1ccc(N2C[C@H]3[C@H](NC(=O)[C@@H]4CCC(=O)N4)[C@H]3C2)nn1 1056263703 QYUGUOISDMVVEY-BBGACYKPSA-N 312.333 -0.822 30 20 DBED C=CCO[C@H](C)C(=O)NCCN(CCO)C(=O)[C@@H]1CCOC1 1057147125 CRULDUPRLLLMPV-CHWSQXEVSA-N 314.382 -0.449 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)C(C)(C)NC(C)=O 1057171387 YYTLZBOHOUQIEM-UHFFFAOYSA-N 313.398 -0.196 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)Cc1cncs1 1057884343 BBJYDCJBYCXSCF-SNVBAGLBSA-N 310.379 -0.218 30 20 DBED N#Cc1cnccc1N1CCC(NC(=O)[C@H]2CNC(=O)N2)CC1 1057933827 DWSPTSSNEZQGDV-GFCCVEGCSA-N 314.349 -0.280 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)C[C@@H]1CCN(C)C1 1058157797 IBSZGCDWPBMSGS-HNNXBMFYSA-N 323.437 -0.075 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 1058883616 MSNCXCDCLSYHPB-JQWIXIFHSA-N 301.306 -0.504 30 20 DBED CN1C(=O)CC[C@@H]1C(=O)N1CC[C@H](Nc2cncc(C#N)n2)C1 1059037908 KZLZYDIJHOLHEE-CMPLNLGQSA-N 314.349 -0.018 30 20 DBED N#Cc1ccc(NC[C@H]2CCN(C(=O)[C@@H]3CCC(=O)N3)C2)nn1 1060900040 MDHMVTWQHWMEJM-PWSUYJOCSA-N 314.349 -0.113 30 20 DBED C=CCCC(=O)NC[C@H]1COCCN1C(=O)Cn1nccn1 1061411970 KJAOAWVJAJXTBI-LBPRGKRZSA-N 307.354 -0.412 30 20 DBED C=CCO[C@H](C)C(=O)N1CCOC[C@H]1CNC(=O)c1cnon1 1061805874 BYTXODVMQUADIF-GHMZBOCLSA-N 324.337 -0.382 30 20 DBED C=CCCC(=O)N1CCOC[C@H]1CNC(=O)CCn1cnnn1 1061814142 MQYDZJLTLUTWRE-GFCCVEGCSA-N 322.369 -0.627 30 20 DBED Cn1cnc(C(=O)N2C[C@@H]3CC[C@H](C2)N3c2ccc(C#N)nn2)n1 1061958914 OFXVOJPHMLHKLD-TXEJJXNPSA-N 324.348 -0.030 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CCCCN1C(=O)[C@@H]1CCC(=O)N1 1062289656 BTZYJSHXTPKSHB-TUAOUCFPSA-N 306.366 -0.078 30 20 DBED C#CCO[C@H](C)C(=O)NC1(CNC(=O)CNC(C)=O)CCC1 1062412568 UNAIJDJDBPVKSN-LLVKDONJSA-N 309.366 -0.684 30 20 DBED C=CCOCC(=O)N1CCO[C@H](CNC(=O)c2cnn(C)c2)C1 1064977044 SOHHUKLJOASBEG-CYBMUJFWSA-N 322.365 -0.420 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)C2CN(C(C)=O)C2)CCO1 1065088258 WPZYJKYOWKLNRC-AWEZNQCLSA-N 323.393 -0.226 30 20 DBED Cc1ccnc(C(=O)N2CCO[C@H](CNC(=O)[C@H](C)C#N)C2)n1 1065103985 RPSRAOUUKWEKMK-ZYHUDNBSSA-N 317.349 -0.098 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CN(C(=O)C(C)(C)C(N)=O)CCO1 1065262570 KYKUURWALRMSNU-UWVGGRQHSA-N 310.354 -0.999 30 20 DBED N#Cc1cccnc1N1CCOC[C@@H]1CNC(=O)c1nc[nH]n1 1066495227 OSSDUQZAAAXRFS-NSHDSACASA-N 313.321 -0.293 30 20 DBED N#Cc1ccc(NCC2(O)CCN(C(=O)C(N)=O)CC2)cn1 1067485301 WCPRCXQGJBLTGO-UHFFFAOYSA-N 303.322 -0.796 30 20 DBED C=CCOCC(=O)N1CC2(C1)CN(C(=O)c1nc[nH]n1)CCO2 1068425414 FRRSDQQXYBOZPG-UHFFFAOYSA-N 321.337 -0.939 30 20 DBED C[C@@H]1[C@@H](N=c2cc[nH]c(C#N)n2)CCN1C(=O)c1cnnn1C 1068835298 MNEDXMXYNZAUPY-ZJUUUORDSA-N 312.337 -0.386 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1COC2(C1)CN(C(=O)c1ccncn1)C2 1069002392 FILIUQXDFQPCOS-MNOVXSKESA-N 315.333 -0.264 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC(CC)(NC(=O)CC(N)=O)CC1 1069374868 WIOGUPARCGOHDE-LBPRGKRZSA-N 323.393 -0.213 30 20 DBED C#CCCN1CCn2ncc(CNC(=O)[C@H]3CCNC3=O)c2C1 1069870065 QEFGAKVYCBKMQO-ZDUSSCGKSA-N 315.377 -0.526 30 20 DBED C=CCN1C[C@H]2C[C@@H]3CN(C(=O)[C@H]4CC(=O)N(C)C4)C[C@@]3(C1)O2 1070806639 QTVXDEFQUYAEJR-ZOMKSWQUSA-N 319.405 -0.048 30 20 DBED C#CCCN1C[C@H]2C[C@@H]3CN(C(=O)C4(C(N)=O)CC4)C[C@@]3(C1)O2 1070847535 ANIKBVLZDGVXQW-PBFPGSCMSA-N 317.389 -0.423 30 20 DBED C[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@@]2(CCN(CC#N)C2)O1 1071204440 OZSDQWLONNOUIJ-RISCZKNCSA-N 306.366 -0.533 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H](NC(=O)C(=O)NCC(F)F)C1 1071229537 SNSKDNFFMQTYGD-RKDXNWHRSA-N 316.308 -0.365 30 20 DBED C=CCOCC(=O)N1C[C@@H](NC(=O)Cc2n[nH]c(C)n2)[C@H](C)C1 1071808646 JTXNHXLOSNVRKF-ZYHUDNBSSA-N 321.381 -0.179 30 20 DBED CCC(=O)NCC(=O)N[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1C 1072049758 WFNDJTIEEDZBOM-YPMHNXCESA-N 305.378 -0.111 30 20 DBED C[C@@H](C#N)C(=O)N1CC(N2CCN(C(=O)CCN(C)C)CC2)C1 1073598498 AGJGQDASNUZUTR-ZDUSSCGKSA-N 321.425 -0.547 30 20 DBED C=CCCN1CCO[C@H]2CCN(C(=O)CS(C)(=O)=O)C[C@@H]21 1074188092 NCDJILFISZMURK-STQMWFEESA-N 316.423 -0.091 30 20 DBED N#CCN1CCO[C@H]2CCN(C(=O)CN3CCCCC3=O)C[C@H]21 1074284742 RLLGNJZQOWHJSU-KGLIPLIRSA-N 320.393 -0.176 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H](C)CCNC(=O)Cn1cnnn1 1075563284 CJRCGJFVOYKRSK-WDEREUQCSA-N 310.358 -0.725 30 20 DBED C#CCOCCC(=O)NCC[C@H](C)NC(=O)[C@H]1CCNC1=O 1076507424 GLGJVVPFUUFKFX-RYUDHWBXSA-N 309.366 -0.827 30 20 DBED CCN(C(=O)CCc1cn(C)nn1)C1CN(C(=O)[C@@H](C)C#N)C1 1080039538 YZUPALCPMOHKNP-NSHDSACASA-N 318.381 -0.033 30 20 DBED COCCC(=O)N1C[C@H](O)[C@H](CNC(=O)CSCC#N)C1 1081286712 OLDWOLLOWJINQJ-MNOVXSKESA-N 315.395 -0.785 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2ncoc2C)C[C@@H]1O 1081343456 CIAOXMHZBHPNRB-NEPJUHHUSA-N 323.349 -0.265 30 20 DBED C#CCOCCC(=O)NC[C@H]1CN(C(=O)c2ccco2)C[C@@H]1O 1081485336 HCXQYSKYXQIWEB-STQMWFEESA-N 320.345 -0.131 30 20 DBED C#CCCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2[nH]nnc2C)C1 1081637252 KTMYPNBQXKVCTA-VXGBXAGGSA-N 319.365 -0.534 30 20 DBED C=CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1ccc(C(N)=O)[nH]1 1083195752 MJINVXOJJJWWSL-QWHCGFSZSA-N 304.350 -0.175 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2cnc(OC(C)C)cn2)C1 1083460524 LNSFUTSSRSVEKO-OLZOCXBDSA-N 304.350 -0.328 30 20 DBED Cn1ccc(-c2cc(C(=O)N[C@@H]3CN(CC#N)C[C@@H]3O)n[nH]2)c1 1083515545 JTUPEVGOHHTYGW-KGLIPLIRSA-N 314.349 -0.286 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCCN2C2CCOCC2)C1 1083519693 GDXPOWUDTDZYJT-OAGGEKHMSA-N 321.421 -0.576 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)Cc2ccc(OC)cn2)C1 1083725368 BECIRKZCXDSVRK-CABCVRRESA-N 303.362 -0.183 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCCc3nn[nH]c32)C1 1083734835 YAIQRQVTQKNKRW-UHTWSYAYSA-N 305.382 -0.038 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CN(C[C@H](C)OC)C[C@@H]2O)nn1 1083843749 XFIRDBWRZWPFKX-LOWVWBTDSA-N 309.370 -0.726 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)C[C@@H]2NC(=O)c3ccccc32)C1 1083879571 QZKAQPLLNZUSDW-MJBXVCDLSA-N 314.345 -0.454 30 20 DBED CC#CCN1CC[C@@H](NC(=O)Cc2cnn(C)c2C)[C@@H](O)C1 1090315323 IFLOWPPMIXFUPG-CABCVRRESA-N 304.394 -0.154 30 20 DBED C#CCN1CC[C@H](NC(=O)c2c(C)nn(C)c2OC)[C@H](O)C1 1090617916 YLILJRQYTORYMH-NWDGAFQWSA-N 306.366 -0.465 30 20 DBED C#CCN1CCC(C(=O)N[C@@H]2CCN(CCCO)C[C@@H]2O)CC1 1090830019 HZPFPTMFTCNWMZ-CVEARBPZSA-N 323.437 -0.735 30 20 DBED CC(C)(C)C(=O)C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1091079138 LITZYQFVHYQOHQ-ZJUUUORDSA-N 317.349 -0.371 30 20 DBED CC#CCN1C[C@@H]2CN(C(=O)Cn3ncn(C)c3=O)C[C@]2(C)C1 1091802994 HPFTXYRTBYHPJZ-CJNGLKHVSA-N 317.393 -0.615 30 20 DBED CNC(=O)C1(C(=O)NCCN=c2cc(C)[nH]cc2C#N)CC1 1093729182 GRVFKFNEAUDULJ-UHFFFAOYSA-N 301.350 -0.262 30 20 DBED C=CCn1cc(C(=O)NCCNc2ccc3nnnn3n2)nn1 1094164460 VBHSFLJPTYETRD-UHFFFAOYSA-N 314.313 -0.861 30 20 DBED N#Cc1cncc(NCCNC(=O)c2ccc3nn[nH]c3n2)n1 1094209988 VHQACPMHBQPVBK-UHFFFAOYSA-N 309.293 -0.144 30 20 DBED N#Cc1ccc(NCCCNC(=O)C[C@@H]2CC(=O)NC2=O)nn1 1094485654 NMTOHIJDKKWVBQ-SECBINFHSA-N 316.321 -0.681 30 20 DBED N#Cc1ccc(NCCCNC(=O)c2nnc(O)nc2O)nc1 1094888308 NALOSZDWMSBMAA-UHFFFAOYSA-N 315.293 -0.219 30 20 DBED C=CCN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN1CCN(C)C(=O)C1)C2 1094950971 XRWBATSUIFRLQY-KKUMJFAQSA-N 320.437 -0.085 30 20 DBED Cc1cc(N(C)CCCNC(=O)Cn2cnnn2)c(C#N)cn1 1095485494 YTEYBQUJRKUBJE-UHFFFAOYSA-N 314.353 -0.109 30 20 DBED C[C@H](CC(N)=O)C(=O)N[C@@H]1CCCN(c2ccnc(C#N)n2)C1 1096218247 FSXDEZNOICDAJB-GHMZBOCLSA-N 316.365 -0.055 30 20 DBED N#Cc1cnc(N[C@H](CNC(=O)[C@H]2C[C@H]2C(N)=O)C2CC2)cn1 1096808776 CYXRELOXNQSPPM-GRYCIOLGSA-N 314.349 -0.224 30 20 DBED COCC(=O)N(C)CC(=O)NC[C@H](C)Nc1ccc(C#N)nn1 1098329205 DSADPJSLUWBTFI-JTQLQIEISA-N 320.353 -0.630 30 20 DBED CC[C@]1(C(=O)NC[C@@H](C)N=c2cc[nH]c(C#N)n2)CCNC1=O 1098369815 JIGGNJVEHWSWJG-BMIGLBTASA-N 316.365 -0.397 30 20 DBED C[C@@H](CCNC(=O)[C@@H](C)n1cncn1)N=c1cc[nH]c(C#N)n1 1099021272 NJZXXODNOXMLLU-WDEREUQCSA-N 314.353 -0.070 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)c2ccc(O)nn2)[C@H](O)C1 1099641888 JDWWKHIDSGOXED-WCQYABFASA-N 322.365 -0.450 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)CN(C)C(=O)C2CC2)[C@@H](O)C1 1099860797 IFXBBBZVLXOEIU-KGLIPLIRSA-N 309.410 -0.018 30 20 DBED CC#CCN1CC[C@H](NC(=O)CCc2ccn(C)n2)[C@@H](O)C1 1099860917 JZDOBYJIIWDABU-GJZGRUSLSA-N 304.394 -0.073 30 20 DBED C=CCN1CC[C@@H](NC(=O)C(C)(C)S(C)(=O)=O)[C@H](O)C1 1100023245 ZLXQTMJEVTZLDJ-GHMZBOCLSA-N 304.412 -0.453 30 20 DBED C=C(Cl)CN1CC[C@H](NC(=O)CCn2cnnn2)[C@@H](O)C1 1100045839 FCWQYVYIIIYNBW-QWRGUYRKSA-N 314.777 -0.633 30 20 DBED C#CCN1CC[C@@H](NC(=O)CCCn2nc(C)nc2C)[C@@H](O)C1 1100071560 GBZRZXXWEGNRNN-CABCVRRESA-N 319.409 -0.140 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)C23CCN(CC2)C3)[C@H](O)C1 1100074421 NHAYENJLWRTISJ-HUUCEWRRSA-N 321.421 -0.717 30 20 DBED N#Cc1ccc(N2CC[C@@H](CNC(=O)Cn3ncnn3)C2)nc1 1101017274 ASEDFFMCYJKQEC-LBPRGKRZSA-N 312.337 -0.418 30 20 DBED N#Cc1ccc(N2CC[C@H](CNC(=O)C3(C(N)=O)CC3)C2)nn1 1101048267 DWDFGWOIPBVKPU-SNVBAGLBSA-N 314.349 -0.444 30 20 DBED N#CCNC1CC(CNC(=O)CCCCCS(N)(=O)=O)C1 1101085152 DQYHPNWYZSPTHX-UHFFFAOYSA-N 316.427 -0.157 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)[C@@]1(C)CNC(=O)C1 1101877106 NIXQVFWVRFEBIG-CQSZACIVSA-N 302.338 -0.833 30 20 DBED CN(CCNc1cnc(C#N)cn1)C(=O)CN1CCOCC1=O 1102012153 MYRRZJUHJMMNHC-UHFFFAOYSA-N 318.337 -0.923 30 20 DBED CC(C)N(CCCNC(=O)CC(N)=O)c1cncc(C#N)n1 1102086620 NNMUPULHZYOSQT-UHFFFAOYSA-N 304.354 -0.055 30 20 DBED C[C@H](NC(N)=O)C(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(C#N)cn1 1102547955 XCLHPAIHADQNLZ-LSJOCFKGSA-N 315.337 -0.805 30 20 DBED CC[C@@H](CNC(=O)[C@@H]1COCCN1C)Nc1cnc(C#N)cn1 1103036499 MWDOLPNEDLISIF-AAEUAGOBSA-N 318.381 -0.014 30 20 DBED C[C@@H](CN=c1cc[nH]cc1C#N)CNC(=O)CN1CCOCC1 1103915981 XSBAODXSHZHBSO-ZDUSSCGKSA-N 317.393 -0.128 30 20 DBED CC(=O)NCC(=O)NC[C@@H]1CN(c2ncccc2C#N)CCO1 1104283132 HQZVTCDFKWWCIL-CYBMUJFWSA-N 317.349 -0.589 30 20 DBED C#CCNC(=O)CC(=O)N(C)[C@H](C)CN=c1cc[nH]c(C#N)n1 1104522879 CITZLTCEMXXWAS-LLVKDONJSA-N 314.349 -0.832 30 20 DBED C#CCNCc1cn(C2CN(C(=O)[C@H](CC)N(C)C)C2)nn1 1105328659 PHTDKZRINRDCJA-AWEZNQCLSA-N 304.398 -0.276 30 20 DBED Cc1cc(CC(=O)NC[C@@H](O)CNc2cncc(C#N)n2)no1 1105766306 VEWALWMCSIZMLM-LBPRGKRZSA-N 316.321 -0.224 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](O)CNC(=O)[C@]2(C)CCOC2)n1 1105938940 GYLWLDXIUGOKHY-SWLSCSKDSA-N 319.365 -0.028 30 20 DBED C[C@H](CCNc1nccnc1C#N)NC(=O)[C@@H]1COC(=O)N1 1106313766 QFQLSYPNOHAQJI-SCZZXKLOSA-N 304.310 -0.237 30 20 DBED Cc1cc(=NC/C=C/CNC(=O)[C@@H]2COC(=O)N2)c(C#N)c[nH]1 1107176322 WSGGAXQEIPLYKD-IBUXWKBASA-N 315.333 -0.124 30 20 DBED CCN(CC)CC(=O)NCc1cn(C2CN(CC#N)C2)nn1 1107221438 ZNOOICSKUUDWJC-UHFFFAOYSA-N 305.386 -0.384 30 20 DBED CC(F)(F)C(=O)NC[C@@]1(C)CN(CC(=O)NCC#N)CCO1 1107686026 SCLVKJXETANRRO-LBPRGKRZSA-N 318.324 -0.512 30 20 DBED C#CCCN1CCO[C@](C)(CNC(=O)[C@H]2CC(=O)N(C)C2)C1 1107983567 OAMDEPRJNMDDGE-XJKSGUPXSA-N 307.394 -0.305 30 20 DBED CC(=O)N1CCC[C@H](C(=O)NC[C@@]2(C)CN(CC#N)CCO2)C1 1108060044 URXIUNUSNGWQKZ-HOCLYGCPSA-N 322.409 -0.024 30 20 DBED C[C@H](CNc1ncccc1C#N)NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 1108105805 SBBWIBGLDPOEAU-ADEWGFFLSA-N 317.349 -0.097 30 20 DBED C[C@]1(CNC(=O)CCN2CCCC2=O)CN(CC#N)CCO1 1108404560 DGFDGUHKDDPEQK-HNNXBMFYSA-N 308.382 -0.270 30 20 DBED C#CCCN1CC(N2C[C@H](NC(=O)COCCOC)CC2=O)C1 1108528468 WZPZJCPJADZISM-CYBMUJFWSA-N 323.393 -0.926 30 20 DBED COCCN1CC(N2C[C@@H](NC(=O)C#CC(C)C)CC2=O)C1 1108542905 PYYHMVDMJIZTJB-ZDUSSCGKSA-N 307.394 -0.307 30 20 DBED N#CCNC(=O)CN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cnco1)C2 1108736002 RNGQAGNUUWDKJQ-SRVKXCTJSA-N 317.349 -0.103 30 20 DBED CCS(=O)(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC#N 1109365562 RJPRRTUQMGIGTD-VWYCJHECSA-N 300.384 -0.829 30 20 DBED CNC(=O)NCC(=O)N[C@@H]1[C@H]2C[C@H]1N(c1ncccc1C#N)C2 1109743535 UYJKWJZMTBSAJK-DMDPSCGWSA-N 314.349 -0.424 30 20 DBED N#Cc1cnc(NC[C@@H]2CCCN2C(=O)CNC(N)=O)cn1 1110530307 WXLMBNMMYHMKJZ-JTQLQIEISA-N 303.326 -0.581 30 20 DBED COCCC(=O)NC[C@@]1(O)CCN(c2ccnc(C#N)n2)C1 1111015372 CMGJLQJCODYSKH-AWEZNQCLSA-N 305.338 -0.558 30 20 DBED C=CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CC[C@H]1NC(=O)NC1=O 1111376672 XKWDQSNJPLQLHK-KKOKHZNYSA-N 306.366 -0.118 30 20 DBED CC(C)OCC(=O)N(CCO)CCN=c1cc[nH]c(C#N)n1 1111435037 UBXADEDOYHEAHF-UHFFFAOYSA-N 307.354 -0.572 30 20 DBED CCN(CCC#N)C(=O)CN1CCN(C(=O)CC(=O)NC)CC1 1112785646 HUXIKSPYEIOVHV-UHFFFAOYSA-N 323.397 -0.971 30 20 DBED CCc1nnsc1C(=O)N1CCN(CC(=O)NCC#N)CC1 1113077260 ZUSZUFPHHAWYPO-UHFFFAOYSA-N 322.394 -0.502 30 20 DBED C=CCNC(=O)NC(=O)CN1C[C@H]2[C@H](NC(=O)[C@H](C)OC)[C@H]2C1 1113952594 HANALOIIFJUJQP-MEWQQHAOSA-N 324.381 -0.921 30 20 DBED C[C@@H]1CCN(c2cncc(C#N)n2)C[C@@H]1NC(=O)CC(N)=O 1114007536 ILDTUHXRILTOHN-KOLCDFICSA-N 302.338 -0.445 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1[C@@H]2CN(CC(=O)NC(=O)NC3CC3)C[C@@H]21 1114066526 DKMZLLDZYWOIIG-GOONRYMUSA-N 319.365 -0.819 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@H]1[C@@H]2CN(CC(=O)N3CCC3)C[C@@H]21 1114193994 KDSHTYWSVSAQIQ-GUYJKWIASA-N 307.394 -0.408 30 20 DBED CNC(=O)CC(=O)N1C[C@@H](CN=c2cc[nH]c(C#N)n2)C[C@@H]1C 1114678438 SNVZEPTYVAVPLN-WDEREUQCSA-N 316.365 -0.445 30 20 DBED C=CCCCN1C[C@H]2C(NC(=O)[C@@H]3CC(=O)NC(=O)N3)[C@@H]2C1 1114891775 NURWVJNQURWAJX-MXWKQRLJSA-N 306.366 -0.403 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3ccn(CC)n3)[C@H]2C1 1114921526 OTDUPEMRXXFUFI-JYAVWHMHSA-N 317.393 -0.135 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)CCN(C)CC)[C@H]2C1 1115080777 DSFHMOWCHIMWSN-IHRRRGAJSA-N 320.437 -0.488 30 20 DBED CC(=O)NCC(=O)NCCOCCN(C)c1ccc(C#N)nc1 1115160740 DSFCTBXGDCRQKF-UHFFFAOYSA-N 319.365 -0.342 30 20 DBED C#CCCCNC(=O)C(=O)N(C)Cc1nc(CCOC)no1 1117382944 WGAJFCRULSBMKA-UHFFFAOYSA-N 308.338 -0.254 30 20 DBED C=CC[C@H]1CCCN(C(=O)C(=O)NCCS(=O)(=O)NC)C1 1118615862 XDFLMRZGPYRLGU-NSHDSACASA-N 317.411 -0.534 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)N[C@H]2CCCOCC2)CCN1C1CC1 1119136165 BCAISQCLFNRSDZ-JSGCOSHPSA-N 320.393 -0.130 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)[C@@H]2COCCO2)cn1 1121135585 FENKZDOPUJMFFN-OLZOCXBDSA-N 306.322 -0.742 30 20 DBED Cc1cc(C#N)nc(N[C@H](CO)CNC(=O)[C@H]2CCCN2C)n1 1121239432 BLIKQHUAJPGMPU-QWHCGFSZSA-N 318.381 -0.360 30 20 DBED CC(=O)NC(C)(C)C(=O)NC[C@H](CO)Nc1ncccc1C#N 1121778554 VOPCBAQRXRGFBN-GFCCVEGCSA-N 319.365 -0.243 30 20 DBED CCC(=O)N[C@H](C)C(=O)NC[C@@H](CO)Nc1ccc(C#N)nn1 1122751888 CUVQHMOXPCVGGH-KOLCDFICSA-N 320.353 -0.848 30 20 DBED C=C(C)CN(CC)C(=O)CNCCNC(=O)c1ccc(O)nn1 1123092296 WJWBQJQLEWAGCT-UHFFFAOYSA-N 321.381 -0.074 30 20 DBED C#CC1(O)CCN(C(=O)NCCC(=O)N2CCN(C)CC2)CC1 1123481976 FSXDGJGIVIFEMW-UHFFFAOYSA-N 322.409 -0.680 30 20 DBED CC1(C)CN(C(=O)CNC(N)=O)C[C@@H]1Nc1cncc(C#N)n1 1123900806 HCRNKTLMRVQVAB-JTQLQIEISA-N 317.353 -0.335 30 20 DBED COC[C@@H](C)C(=O)N(C)C[C@@H](O)CNc1nccnc1C#N 1124197128 VQLCLQGWHGZIGF-MNOVXSKESA-N 307.354 -0.138 30 20 DBED C=CCCC(=O)NCCNCC(=O)NCC(=O)N1CCCC1 1124655679 GRSNZYWYCPERRO-UHFFFAOYSA-N 310.398 -0.603 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)c1nccc(C)n1 1126471910 QYDRQSNAXIOOOQ-UHFFFAOYSA-N 320.353 -0.884 30 20 DBED Cc1cc(C#N)nc(N2CCC([C@@H](C)NC(=O)C(N)=O)CC2)n1 1126676213 QCRNQVBHUPGSHQ-SNVBAGLBSA-N 316.365 -0.137 30 20 DBED COC(=O)NCC(=O)NCc1cnn2c1CN(CC#N)CC2 1128224461 RJRPALQRPMXVRI-UHFFFAOYSA-N 306.326 -0.806 30 20 DBED C#CCN1CCn2ncc(CNC(=O)Cc3nonc3C)c2C1 1128534448 AKBXVQHTISGEIV-UHFFFAOYSA-N 314.349 -0.118 30 20 DBED C[C@@H](C#N)C(=O)NCc1nc([C@@H]2COCCN2CCCO)n[nH]1 1130839800 PKPOKZYDCIQFMF-QWRGUYRKSA-N 322.369 -0.664 30 20 DBED C#CCNC(=O)CN1C[C@H]2C[C@H]3CN(C(=O)C4CC4)C[C@@]3(C1)O2 1131168289 YTWHJVCLPBCORJ-JJRVBVJISA-N 317.389 -0.553 30 20 DBED Cc1cc(C)c(C(=O)NCCNCC(=O)NCC#N)c(C)n1 1131560409 LZEQSUPUORDVIR-UHFFFAOYSA-N 303.366 -0.034 30 20 DBED C#CCN1C[C@H](NC(=O)CCS(=O)(=O)N(C)C)CC[C@@H]1C 1132503965 FJYFBHZIHOLVHF-QWHCGFSZSA-N 315.439 -0.130 30 20 DBED C[C@@H](C[C@H](C)NC(=O)Cc1cnn(C)c1)NCC(=O)NCC#N 1133897328 SVLOGSADHDKNFL-RYUDHWBXSA-N 320.397 -0.525 30 20 DBED C#CCCN[C@H](C)C[C@H](C)NC(=O)CN1C(=O)CN(C)C1=O 1136128786 ADFIPFUZMCTWES-NEPJUHHUSA-N 308.382 -0.223 30 20 DBED Cn1nc(C(=O)NCCNCC(=O)NCC#N)c2ccccc21 1148471173 VYJCFGRRSXQGMJ-UHFFFAOYSA-N 314.349 -0.468 30 20 DBED C=CCNC(=O)CN(CC)[C@H](C)CNC(=O)[C@@H](C)NC(C)=O 1151713312 IAXDQWKUYVSODP-VXGBXAGGSA-N 312.414 -0.360 30 20 DBED N#CCNC(=O)CNCCNC(=O)Cc1c[nH]c2ncccc12 1152731621 DRPBSJKFKNGCQS-UHFFFAOYSA-N 314.349 -0.549 30 20 DBED C#CCNC(=O)[C@H](C)N(C)C[C@H]1CCCCN1C(=O)CC(N)=O 1157737649 IEZOLBKYRJFECP-QWHCGFSZSA-N 322.409 -0.687 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)c1cnnc(O)c1 1160504268 GNBKJEVBNLQICG-JTQLQIEISA-N 307.354 -0.418 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1cnn(CCF)c1 1161570544 XCZUFFUQKPDQFC-UHFFFAOYSA-N 309.345 -0.689 30 20 DBED N#CCNC(=O)CNCC1(CCNC(=O)c2cncnc2)CC1 1164207621 HQQLHPDOONNLBO-UHFFFAOYSA-N 316.365 -0.394 30 20 DBED C[C@@H]1CO[C@@H](C(=O)NCCC2(CNCC(=O)NCC#N)CC2)C1 1166286679 PHIATQPVDRHIKK-QWHCGFSZSA-N 322.409 -0.073 30 20 DBED C#CCNC(=O)CNCCCNC(=O)CCc1ncccn1 1168855338 DMOPPKOJSWESBA-UHFFFAOYSA-N 303.366 -0.746 30 20 DBED CC#CCNCCCC[C@@H](C)NC(=O)c1cn(CC(N)=O)nn1 1176760155 QMCRPNOXKOUBQR-GFCCVEGCSA-N 320.397 -0.335 30 20 DBED CO[C@@H]1CCCC[C@@H]1C(=O)NCCCNCC(=O)NCC#N 1177255602 OUYAVYUAGJAJPU-QWHCGFSZSA-N 310.398 -0.073 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)C[C@H]2CCNC2=O)[C@H]1C 1178870320 JZUNQXQTJVEIBK-XQQFMLRXSA-N 322.409 -0.606 30 20 DBED C[C@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)c1cncn1C 1179075978 WPUMULZUVSCEOO-QWRGUYRKSA-N 304.354 -0.748 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2[C@H]3COC[C@H]32)[C@H]1C 1179355641 JXFFAFLVJSHKHN-DKBOKBLXSA-N 305.378 -0.793 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H](C)OCCOC)C1 1186058971 FKNXSJOJCVSZKH-QWHCGFSZSA-N 313.398 -0.469 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC[C@@H](N(C)CCN2CCNC2=O)C1 1189917644 IYIDVMXNLNDDQA-CJNGLKHVSA-N 324.425 -0.129 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)CCCOC)C1 1191377175 QBOQVJUFALDBLD-YNEHKIRRSA-N 313.398 -0.735 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(Cc2ncnn2CC)C[C@H]1O 1191806769 BOOZXFVEEQMRIR-VXGBXAGGSA-N 309.370 -0.838 30 20 DBED CCC(C)(C)NC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H](C)C#N)C1 1191864632 NXNXEDBPKSBIAU-IJLUTSLNSA-N 310.398 -0.388 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)Cc2ccc[nH]2)C1 1198864226 WBQRJODNNHFXJI-IACUBPJLSA-N 320.393 -0.591 30 20 DBED N#CCNC(=O)CNC[C@@H]1CN(C(=O)C2CCC2)CCCO1 1199673186 RZJPCVGTQLHMDO-CYBMUJFWSA-N 308.382 -0.367 30 20 DBED C=CCNC[C@@H]1CN(C(=O)CCCS(N)(=O)=O)CCCO1 1201284266 RQVLZFDDNVATFH-GFCCVEGCSA-N 319.427 -0.552 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)c2cnccn2)[C@H](C)C1 1205770968 JAVOLTZVJWGUSJ-YRGRVCCFSA-N 315.377 -0.335 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)CNC(=O)OC)[C@H](C)C1 1206293518 CGZTZDFHGJNIMP-GHMZBOCLSA-N 312.370 -0.919 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)c2cnc(O)n2C)C1 1208944317 SIBOGPKOBPFSED-LLVKDONJSA-N 321.381 -0.378 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@H]2CC[C@@H](C)O2)C1 1209715789 LHVHHVAJNXPVMP-MGPQQGTHSA-N 307.394 -0.116 30 20 DBED CO[C@@H]1CN(CC(=O)N2CCCCC2)C[C@H]1NC(=O)[C@H](C)C#N 1212039019 DHZAVXMXCUQBFX-MGPQQGTHSA-N 322.409 -0.026 30 20 DBED C=CCOCCN1C[C@@H](NC(=O)c2cnnn2C)[C@H](OC)C1 1212196288 PZKZMCMGBCEPHY-DGCLKSJQSA-N 309.370 -0.553 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)c2cc(F)c[nH]2)C[C@H]1C 1215171073 JNKLRKCJFVQMFJ-ZWNOBZJWSA-N 306.341 -0.047 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)c2ccn(C)n2)C[C@H]1C 1216751886 BMSSTJFFPDRYOV-DGCLKSJQSA-N 305.382 -0.228 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)c2ccccn2)C1 1219098670 NXZKMNIDKCVIAW-YUTCNCBUSA-N 318.377 -0.453 30 20 DBED CCN(C)C(=O)CN1C[C@H](O)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 1219469068 DYRIFJAUQYPTTB-OLZOCXBDSA-N 319.365 -0.860 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)[C@H](C)OCCOC)C1 1220463118 BBPLVVGQFJMNGF-TUAOUCFPSA-N 306.790 -0.048 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)CNC(=O)CC2CCCC2)C1 1220546010 ZLIAEJBISFSRGQ-OLZOCXBDSA-N 308.382 -0.632 30 20 DBED COCCCCC(=O)N1C[C@H]2CCN(CC(=O)NCC#N)C[C@H]21 1221418963 UGGWVLXYOYWAMN-ZIAGYGMSSA-N 322.409 -0.024 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3coc(C)n3)[C@@H]2C1 1221501987 UQGKDUQHZKGJBH-TZMCWYRMSA-N 316.361 -0.121 30 20 DBED C#CCOCCC(=O)NCC1CCN(CC(=O)NCC#N)CC1 1223174242 AVLPHRHUGGUDKZ-UHFFFAOYSA-N 320.393 -0.506 30 20 DBED C#CCCN[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)NS(C)(=O)=O 1228791396 GVWHMVPOEXWNCO-YNEHKIRRSA-N 315.439 -0.036 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)[C@@H](OC)C(C)C)CC1 1229024919 QBJRXIQMSCRWHY-HNNXBMFYSA-N 309.410 -0.013 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cnn(C)n1 1229101820 VRPNBAQDSFWDAU-VXGBXAGGSA-N 318.381 -0.805 30 20 DBED COCC#CCN1CC[C@@H]1CN(C)C(=O)CNC(=O)C1CC1 1230877142 UUQIPRIRSDSLNW-CQSZACIVSA-N 307.394 -0.305 30 20 DBED C=CCOCCN1CC[C@H]1CN(C)C(=O)Cn1cnnc1O 1233845845 CLWYALNGKQIQAJ-LBPRGKRZSA-N 309.370 -0.281 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)C(=O)N2CCC[C@]23CCOC3=O)C1 1261487260 QRQYNCDHWLYOQN-HUUCEWRRSA-N 321.333 -0.828 30 20 DBED CCOC(=O)NCC(=O)NCCN/C(O)=C1/N=CC=CC1=O 1318645205 YWOODPIWCHCFDJ-QXMHVHEDSA-N 310.310 -0.625 30 20 DBED N#CCN1CCC(NC(=O)C(=O)NCCCn2ccnc2)CC1 1321367868 SHIQMTBQXJJEPW-UHFFFAOYSA-N 318.381 -0.506 30 20 DBED C=CCN(C(=O)C(=O)NCCS(=O)(=O)NC(C)C)C1CC1 1322035647 ZCXGHPUJMDSVSC-UHFFFAOYSA-N 317.411 -0.393 30 20 DBED N#CCCCNC(=O)C(=O)NC1CCN([C@H]2CCC[C@@H]2O)CC1 1327121902 LCHBSOXIHGOARA-KBPBESRZSA-N 322.409 -0.100 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCC[C@@H](OCCO)C1)[C@@H]1CCCO1 1327259731 VCAMLYKIIYNNCW-RDBSUJKOSA-N 324.377 -0.717 30 20 DBED C=CCN(C(=O)C(=O)NC[C@H](C)S(C)(=O)=O)[C@H](C)COC 1328008536 ONINBLAAZHCFLL-MNOVXSKESA-N 320.411 -0.415 30 20 DBED COCC1CCN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)CC1 1329454174 ULXBANVQVMVDBP-HNNXBMFYSA-N 309.366 -0.252 30 20 DBED CN(C(=O)C(=O)NCCc1ccc(C#N)cc1)[C@@H]1CCNC1=O 1330427783 XBLMXQHFHMPLEP-CYBMUJFWSA-N 314.345 -0.436 30 20 DBED C#CCCOC(=O)N(CCN1CCN(C)CC1)CC(=O)OC 1331553627 AKXDAVAFJDSMHM-UHFFFAOYSA-N 311.382 -0.131 30 20 DBED CN(C[C@@H](O)C1CC1)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1332255208 QQSPRJZWMCYFAC-VEOJIXDASA-N 322.365 -0.075 30 20 DBED C=CCS(=O)(=O)NC(=O)C1CCC2(CC1)NC(=O)NC2=O 1341682972 HICVXQNNTMGFIC-UHFFFAOYSA-N 315.351 -0.613 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)Nc2cnc3c(c2)COCC3)CCO1 1341855963 JCRIEQCXAVNPAZ-GFCCVEGCSA-N 316.317 -0.156 30 20 DBED CCS(=O)(=O)CCN(C)C(=O)C(=O)NCCCCC#N 1346119068 QYNCTFIKORFFGN-UHFFFAOYSA-N 303.384 -0.310 30 20 DBED C=CCOCCNC(=O)C(=O)N1CC(=O)N[C@H]2CCCC[C@@H]21 1350580734 WDCKFCONQCDQLM-RYUDHWBXSA-N 309.366 -0.425 30 20 DBED CN(C)C1CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)CC1 1361930562 GZAZTZOXZWRFMH-UHFFFAOYSA-N 305.338 -0.627 30 20 DBED Cn1c(=O)[nH]c(NC(C)(C)CN2CCOCC2)c(C#N)c1=O 1363729023 IKSPCSFSSUQHCV-UHFFFAOYSA-N 307.354 -0.532 30 20 DBED Cn1c(=O)[nH]c(N2CCCN(C(=O)C3CC3)CC2)c(C#N)c1=O 1364555128 BECFDSSQTOHITN-UHFFFAOYSA-N 317.349 -0.606 30 20 DBED N#CC1(CS(=O)(=O)N(CC(N)=O)C2CCOCC2)CC1 1365456752 UGNABIPRITYTGV-UHFFFAOYSA-N 301.368 -0.414 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](C)CN(C)C(=O)c1cn(C)c(=O)n1C 1370531706 BEZXWJOJRZPUSL-VHSXEESVSA-N 307.354 -0.540 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CN(C)C(=O)COc1cccnc1 1384245488 LIQRUBXGSSXUMU-NWDGAFQWSA-N 320.349 -0.444 30 20 DBED COCC(=O)N1CCN(CCNC(=O)c2cc(C#N)c[nH]2)CC1 1385538101 OQJUIAVOXDPPTF-UHFFFAOYSA-N 319.365 -0.593 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1C[C@@H](NC(=O)COc2cnn(C)c2)C1 1396538925 KQHWCKNFNKJROK-SDDRHHMPSA-N 319.365 -0.030 30 20 DBED CO[C@H](C(=O)NC1CN(C(=O)[C@@H](C)C#N)C1)c1cnn(C)c1 1398651792 SOXOXNMAJNNDIM-CABZTGNLSA-N 305.338 -0.406 30 20 DBED Cc1cc(C(=O)NC[C@]2(O)CCN(C(=O)[C@@H](C)C#N)C2)ncn1 1411167930 IORDWMZWXYLXSC-ZUZCIYMTSA-N 317.349 -0.362 30 20 DBED CC[C@H]1CO[C@H](C)CN1C(=O)Cn1cc(C#N)c(O)nc1=O 1411829389 JGUXQBIMTYNKFX-KOLCDFICSA-N 306.322 -0.154 30 20 DBED N#Cc1cn(CCNC(=O)c2cc(C(F)F)[nH]n2)c(=O)nc1O 1412369144 BBNFYSNPROWYSK-UHFFFAOYSA-N 324.247 -0.089 30 20 DBED N#Cc1cn(CCNC(=O)[C@H]2C[C@H]3CC(=O)[C@@H]2C3)c(=O)nc1O 1412374208 PBSXUTGWFCMCGE-GDPRMGEGSA-N 316.317 -0.448 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CCN(C(=O)c2ccc3nn[nH]c3n2)C1 1414806640 XLODVNXETQAZGU-IUCAKERBSA-N 313.321 -0.157 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@](C)(NC(=O)C1(NC(N)=O)CC1)C1CC1 1416347642 MHBVYIPZXMQJQY-LKFCYVNXSA-N 321.381 -0.252 30 20 DBED COC(=O)NCC(=O)NC[C@@H](O)CNCc1ccccc1C#N 1420121371 YWNYVAQYOLEBPQ-ZDUSSCGKSA-N 320.349 -0.519 30 20 DBED C[C@H](C#N)C(=O)NCC1CN(C(=O)CNC(=O)C(C)(C)C)C1 1432477640 UUCWLTOIXSRNNA-SNVBAGLBSA-N 308.382 -0.117 30 20 DBED CC[C@H](CNC(=O)c1cc(C(N)=O)ccn1)NC(=O)[C@H](C)C#N 1432754442 UXZCYDITFGCJAT-MWLCHTKSSA-N 317.349 -0.035 30 20 DBED N#Cc1ncn(CC(=O)NC[C@@H](n2cncn2)C(F)(F)F)n1 1434280924 CVDQKTBIMNVZLS-SSDOTTSWSA-N 314.231 -0.339 30 20 DBED Cc1nc2n(n1)C[C@@H](Nc1[nH]c(=O)n(C)c(=O)c1C#N)CC2 1434435383 BUUXSEHSGCMAPA-QMMMGPOBSA-N 301.310 -0.728 30 20 DBED C[C@H](C#N)C(=O)NC1CCN(C(=O)c2cc(=O)n(C)cn2)CC1 1453775053 SPNMDEFZCMPEPY-SNVBAGLBSA-N 317.349 -0.339 30 20 DBED Cc1csc(CCNC(=O)Cn2cc(C#N)c(O)nc2=O)n1 1463533906 CZTRCWNIYLQMNS-UHFFFAOYSA-N 319.346 -0.056 30 20 DBED C[C@H](C#N)C(=O)N1CCC(N(C)C(=O)CCNC(N)=O)CC1 1487570509 ZZZFILGYWZIOFG-SNVBAGLBSA-N 309.370 -0.346 30 20 DBED CCN(CCNC(=O)[C@H](C)C#N)C(=O)[C@H](C)CS(C)(=O)=O 1496938746 QNUGMLMOEJRXII-GHMZBOCLSA-N 317.411 -0.209 30 20 DBED C=CCCC[C@H](NC(=O)Cn1cc(C(=O)O)nn1)C(=O)OC 1573356375 BIXXRVLEFTXVNI-VIFPVBQESA-N 310.310 -0.010 30 20 DBED N#Cc1ccc(S(=O)(=O)NCc2nc[nH]c2C(=O)O)cn1 1574249339 HENPZKRSJNYGRH-UHFFFAOYSA-N 307.291 -0.147 30 20 DBED C#CCNCC(=O)N[C@@H]1CCCC[C@H]1NS(=O)(=O)C1CC1 1574735646 CETYCGHZHDKLOA-CHWSQXEVSA-N 313.423 -0.282 30 20 DBED C=C(C)C[C@H](NC(=O)[C@@]1(F)CNCC12COC2)C(=O)OC 1574830696 JTHXLNBWRFHTKE-HZMBPMFUSA-N 300.330 -0.062 30 20 DBED C=CC1(CC(=O)N2CCN(CC(=O)N3CCCC3)CC2)CNC1 1574879946 IDYWSOIVOKCHGJ-UHFFFAOYSA-N 320.437 -0.081 30 20 DBED CC#CC[C@@H](N)C(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 1574963484 VKWAVNMXQFZCCY-CHWSQXEVSA-N 313.423 -0.942 30 20 DBED C#CC[C@H](CO)NS(=O)(=O)c1ccc(-c2nn[nH]n2)c(C)c1 1588330950 HRJRLSCCNQNTKU-SNVBAGLBSA-N 321.362 -0.162 30 20 DBED C=C(C)C[C@@H](NC(=O)Cn1[nH]cc2c(=O)ncnc1-2)C(=O)O 1588543910 QCVAGWUISXAIKM-SECBINFHSA-N 305.294 -0.393 30 20 DBED CC(C)(CC(=O)O)CC(=O)NCCn1cc(C#N)c(O)nc1=O 1590631780 IVGDBHWOEMGSPF-UHFFFAOYSA-N 322.321 -0.172 30 20 DBED CCN1CCOC[C@@H]1C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[nH]1 1590736008 LGDGGYAFRFNDBP-MRVPVSSYSA-N 317.313 -0.879 30 20 DBED N#CCC1(CS(=O)(=O)N2CCN(CC(=O)O)CC2)CC1 1601063592 ZNMYZQDREOXQMT-UHFFFAOYSA-N 301.368 -0.288 30 20 DBED N#CCCN1CCN(S(=O)(=O)c2ccc(C(=O)O)nc2)CC1 1601068020 AWOQWYVVVPMXQK-UHFFFAOYSA-N 324.362 0.000 30 20 DBED C[C@H](C#N)C(=O)NC/C=C\CN=c1cc[nH]c(-c2nn[nH]n2)n1 1602982950 BQDWUEYDJWZLTH-PKRMOACSSA-N 313.325 -0.677 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1[C@@H]2CN(c3ncc(C(=O)O)cn3)C[C@@H]21 1603129744 MCWUJBMUOXXLAD-CPOMMVLXSA-N 301.306 -0.115 30 20 DBED Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)NCC#CCO 1605801401 HPORZMIWRKDERX-UHFFFAOYSA-N 307.335 -0.551 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCO[C@H](CC(=O)O)C1 1609994047 TUXXQLFOXMAUEQ-WDEREUQCSA-N 319.383 -0.112 30 20 DBED Cc1oc2ncn(C)c(=O)c2c1C(=O)N[C@H]1CNC[C@@H]1C#N 1645868419 AXFXJFNXHPJSKO-IUCAKERBSA-N 301.306 -0.324 30 20 DBED Cn1ccnc1N1CCC(NC(=O)Cn2cnc(C#N)n2)CC1 1647172956 ZFXTYRFSMVJRME-UHFFFAOYSA-N 314.353 -0.332 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCC[C@H](C)NCc1cnn(C)n1 1713409963 LRWMTQKJPIGVKG-ZFWWWQNUSA-N 318.425 -0.103 30 20 DBED C#CCNC(=O)CN1CCC[C@H](NC(=O)[C@@H]2CCCCO2)C1 1713796303 CIKZNKDEFHTLAZ-KBPBESRZSA-N 307.394 -0.115 30 20 DBED C#CCNC(=O)CNC[C@H](C)CNC(=O)[C@@H]1CCCCN1C 1714423048 SZWOQFVBKYZMMG-KBPBESRZSA-N 308.426 -0.438 30 20 DBED C#CCNC(=O)[C@@H](C)N(CC)CCCNC(=O)[C@H]1COC(=O)N1 1752180117 AYAREYQYZSEOHG-VXGBXAGGSA-N 324.381 -0.939 30 20 DBED COCC#CCN[C@@H](C)CNC(=O)[C@@H](NC(N)=O)C(C)(C)C 1752913382 JNDXUQKQNLUTLR-NWDGAFQWSA-N 312.414 -0.187 30 20 DBED C#CCNC(=O)CN1CCC[C@@H]1CNC(=O)c1cnnc(C)c1 1753106203 WAXQLWHQWVUYIK-CQSZACIVSA-N 315.377 -0.271 30 20 DBED C#CCNC(=O)CN1CCC[C@@H]1CNC(=O)CN(C)CCC 1753115649 HDZFCTHLQQOZDT-CQSZACIVSA-N 308.426 -0.342 30 20 DBED C=CCOCCN1CC(CNC(=O)CN2CCOCC2=O)C1 1753404200 WNSBLLQBDIHSSG-UHFFFAOYSA-N 311.382 -0.904 30 20 DBED CC[C@@H](CNC(=O)C[C@H]1CCCC(=O)N1)NCC(=O)NCC#N 1753479030 LBJSLRJIUYLLAB-NWDGAFQWSA-N 323.397 -0.831 30 20 DBED C#CCNC(=O)CN[C@H](CC)CNC(=O)[C@H](C)c1cnn(C)c1 1753498826 ZKOIZIURRLLWEA-TZMCWYRMSA-N 319.409 -0.243 30 20 DBED C=CCCNC[C@H](O)CNC(=O)c1cccc(-n2cnnn2)c1 1753934541 CCIMYBNXVKJPLZ-AWEZNQCLSA-N 316.365 -0.081 30 20 DBED CCN(CCN[C@H](C)c1nnnn1C)C(=O)CSCC#N 1754034693 QMBLDGPFBCWTFS-SNVBAGLBSA-N 311.415 -0.034 30 20 DBED N#Cc1c[nH]c(C(=O)NC/C=C/CNCC(=O)N2CCC2)c1 1754109636 WUZBIIMAUGJMCU-OWOJBTEDSA-N 301.350 -0.006 30 20 DBED C=CCNC(=O)CNC[C@@H](C)NC(=O)[C@@H]1CN2CCC1CC2 1754225814 MTIQYTXSZWUBGQ-TZMCWYRMSA-N 308.426 -0.275 30 20 DBED C#CCNC(=O)CN1CC(N(C)C(=O)c2cnn3c2CCC3)C1 1754576453 MQEWOHLCAQXOPB-UHFFFAOYSA-N 315.377 -0.665 30 20 DBED C=C(C)CCC(=O)N(C)C1CN(CC(=O)N2CCNC(=O)C2)C1 1754576687 VFVWMNFRNYNNED-UHFFFAOYSA-N 322.409 -0.556 30 20 DBED C=CCNC(=O)CNC[C@@H]1CN(C(=O)c2n[nH]cc2C)CCO1 1755002422 QRKFDDKGCNQWCH-GFCCVEGCSA-N 321.381 -0.549 30 20 DBED COCC#CCN1CC2(C[C@H](NC(=O)CSCC#N)CO2)C1 1755059684 UFGUELINWKJLJD-ZDUSSCGKSA-N 323.418 -0.148 30 20 DBED C=CCCCN1CC2(C[C@H](NC(=O)CCn3cnnn3)CO2)C1 1755065191 GFHKDAMKLQYQSP-ZDUSSCGKSA-N 320.397 -0.011 30 20 DBED CC#CCN1CCC(CO)(NC(=O)CO[C@@H]2CCOC2)CC1 1755177055 BMROERULDLSVQS-CQSZACIVSA-N 310.394 -0.242 30 20 DBED C=CCNC[C@H]1CC[C@@H](NC(=O)CN2CCN(C)C(=O)C2)C1 1755737193 GFDAISVHAIMFDD-UONOGXRCSA-N 308.426 -0.179 30 20 DBED C#CCNC(=O)CNC[C@@H](O)CN(C)C(=O)C1CCC=CCC1 1755795622 IHTKYJCJQNGQRX-OAHLLOKOSA-N 321.421 -0.109 30 20 DBED C#CCNC(=O)CNC1CC(N(C)C(=O)c2cc[n+]([O-])cc2)C1 1755849437 MUWPFENHPPAODA-UHFFFAOYSA-N 316.361 -0.738 30 20 DBED N#CCSCC(=O)NC[C@@H](CO)NC(=O)[C@H]1CCCO1 1756503244 CZYYFUSNSOPNOX-VHSXEESVSA-N 301.368 -0.985 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@H](O)CN(C)C(=O)c1ccon1 1756653946 OBYDXPRFXVQHSA-YGRLFVJLSA-N 311.338 -0.449 30 20 DBED C#CCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(O)O)C[C@@H]21 1791266376 UQDQKGPMLHHSJZ-AVGNSLFASA-N 324.377 -0.920 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccncc1 1799110732 PNXNPNCGHFBCMB-XOIINTDNSA-N 313.357 -0.153 30 20 DBED C[C@H](CC#N)N(C)C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 103443138 IYJVQLOQEYRPRK-SECBINFHSA-N 318.337 -0.806 30 20 DBED N#CC1(C(=O)N2CCN(S(N)(=O)=O)CC2)CCCCC1 110685638 DPICDEZEKKBAPE-UHFFFAOYSA-N 300.384 -0.192 30 20 DBED CCNC(=O)CN1CCCN(S(=O)(=O)CCCC#N)CC1 111329238 MXUVRSYFUYVWNN-UHFFFAOYSA-N 316.427 -0.236 30 20 DBED CS(=O)(=O)N[C@@H]1CCC[C@H]1C/N=C(\N)N1CCOCC1 134116360 RIAQTTXKROTVTO-WDEREUQCSA-N 304.416 -0.649 30 20 DBED C#CCNC(=O)CCC(=O)N1CCN(c2ncccn2)CC1 156071218 XEYGAUXYDAKVPD-UHFFFAOYSA-N 301.350 -0.345 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@@H](C(=O)O)C(C)C 263566305 WMOSUZSDSDXAFD-SNVBAGLBSA-N 307.372 -0.208 30 20 DBED C[C@H](O)CNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 271094421 XZDSATDLLCPLKO-JTQLQIEISA-N 311.363 -0.011 30 20 DBED C#CCN(CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1)C1CC1 274159077 LZWSGXURHAXZTK-SNVBAGLBSA-N 313.379 -0.903 30 20 DBED C=CCN1CCC(NC(=O)C(=O)N2CCNC(=O)[C@H]2C)CC1 286357543 BVOGQGODFSAMMM-LLVKDONJSA-N 308.382 -0.900 30 20 DBED C=CCSCCNC(=O)C(=O)N(CC)CCOCCO 286570141 TYXQTVSADCSELI-UHFFFAOYSA-N 304.412 -0.121 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@H](C(=O)OC)C[C@@H]1C(=O)OC 295805579 SWSVHLNCHIDVSK-GRYCIOLGSA-N 311.334 -0.022 30 20 DBED Cn1cnn(C/C(O)=N/[C@@H]2CCN(CC(F)(F)F)C2=O)c1=O 329088783 IDIMXOUOWMAJGQ-SSDOTTSWSA-N 321.259 -0.299 30 20 DBED CC(C)N(C)CC/N=C(/O)N1CCC(S(N)(=O)=O)CC1 330876537 JWKJYTBPCMSZCZ-UHFFFAOYSA-N 306.432 -0.007 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N[C@H]1CC(=O)N(C2CC2)C1 331777355 ORDZWYFQMRHZFQ-UWVGGRQHSA-N 300.384 -0.182 30 20 DBED COCCN(CCOC)S(=O)(=O)N1CCO[C@@H](C#N)C1 336885971 FYNFPKKFDFJCMP-NSHDSACASA-N 307.372 -0.950 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@@H](CCO)COC 336949765 SCZJUBIXHRQRNQ-NSHDSACASA-N 309.388 -0.920 30 20 DBED COC(=O)[C@@H]1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)[C@@H]1C 337174196 HQWRVCKXMYVBHP-GMTAPVOTSA-N 317.367 -0.661 30 20 DBED N#Cc1ccc(CNC(=O)CN2[C@H](CO)CC[C@@H]2CO)cc1 347327754 HSLGRCKYHVSYNE-GASCZTMLSA-N 303.362 -0.008 30 20 DBED COC(=O)c1cc(S(=O)(=O)NCC(=O)NCC#N)cs1 352531915 QCNWVLJSOAXTGM-UHFFFAOYSA-N 317.348 -0.547 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(=O)n(C)c2)C1=O 354721549 FNLQCIMEWFKFPS-UHFFFAOYSA-N 318.289 -0.699 30 20 DBED N#CCNC(=O)CNC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1 376210318 ZEQNDILSLSVRLU-SNVBAGLBSA-N 318.308 -0.065 30 20 DBED C[C@@H](C#N)CN(C)C(=O)C(=O)N1CCN(CC(C)(C)O)[C@H](C)C1 410847477 LGDODTJJNLXCFP-QWHCGFSZSA-N 324.425 -0.092 30 20 DBED C=C[C@H](CO)NC(=O)c1ccc(C(=O)N[C@H](C=C)CO)nc1 426850515 ITWIHLCBBUQEDW-VXGBXAGGSA-N 305.334 -0.365 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2cccnc2O)CC1 491167210 WXKRMWZZUYXUND-UHFFFAOYSA-N 302.334 -0.706 30 20 DBED C#CCN1CCN(C(=O)CONC(=N)C(C)(C)NC(C)=O)CC1 491634258 SJPPGAXRHRQUED-UHFFFAOYSA-N 323.397 -0.823 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CCN2C(=O)OC[C@@H]2C1 495643870 FQFLKLZLPGRAJF-JTQLQIEISA-N 302.356 -0.397 30 20 DBED CC(C)(C)OC(=O)N1CCN(C(=N)NCC(=O)NCC#N)CC1 496252322 FXGKPSRGQASGPU-UHFFFAOYSA-N 324.385 -0.297 30 20 DBED CCOC(=O)CN(CC)S(=O)(=O)N1CCO[C@H](C#N)C1 554520357 LYNPFPKJADNORE-SNVBAGLBSA-N 305.356 -0.659 30 20 DBED CC(CO)(CO)NC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C 578830347 RGQMQJDZMZBWHS-UHFFFAOYSA-N 322.365 -0.087 30 20 DBED CN(C)S(=O)(=O)NCC(=O)N1CCc2ccc(C#N)cc21 597444127 AVJXKWZYDHOSEH-UHFFFAOYSA-N 308.363 -0.157 30 20 DBED C=CCCCCNC(=O)C(=O)N[C@H]1CS(=O)(=O)C[C@@H]1OC 612187926 RXDKEVFZGZPGOK-QWRGUYRKSA-N 318.395 -0.613 30 20 DBED CCO[C@H]1CCCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)C1 619708128 FSZJEFYLSFERQY-RYUDHWBXSA-N 303.384 -0.044 30 20 DBED CC#CC[C@H](CO)NC(=O)N[C@H]1CCOC[C@H]1OCCOC 645454306 PYPXDVQZAPXTJW-HZSPNIEDSA-N 314.382 -0.120 30 20 DBED C=CCn1cc(C(=O)NCC(=O)N2CCN(CC)CC2)nn1 649224754 OIVIJAMZMALSFV-UHFFFAOYSA-N 306.370 -0.642 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C)COCC2CC2)C1=O 650797390 USUWNMQPRKSKMP-JTQLQIEISA-N 323.349 -0.106 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)C1(C(=O)NC2CC2)CC1 729716584 UTKQQJZQOBKWAC-UHFFFAOYSA-N 309.322 -0.400 30 20 DBED CNC(=O)c1ccc(Cn2c(N)nc(C#N)c2-c2nn[nH]n2)cc1 736877188 IRWMLELSHHZYDC-UHFFFAOYSA-N 323.320 -0.075 30 20 DBED O=C(O)CCCNC(=O)NCCN/C(O)=C1\N=CC=CC1=O 738576729 YXEZPSWNSATKPF-VAWYXSNFSA-N 310.310 -0.323 30 20 DBED C[C@H](OC(=O)[C@@H](C)CS(C)(=O)=O)C(=O)N(C)CCC#N 747082867 WXZCPBUUDOJPPP-UWVGGRQHSA-N 304.368 -0.029 30 20 DBED C=CCCC(C)=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 758128555 HZEFQGJHAYTKNE-UHFFFAOYSA-N 314.367 -0.296 30 20 DBED CN1C(=O)C(=O)N(CC(=O)Nc2cc(C#N)ccc2O)C1=O 759720707 UXAGKFXAODPMGT-UHFFFAOYSA-N 302.246 -0.377 30 20 DBED C#CCOCCOC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 762711546 DGIFYCVPDDUFRP-FPQZTECRSA-N 307.302 -0.658 30 20 DBED C#C[C@@H](NC(=O)C(=O)N(C)Cc1cnn(C)c1)[C@@H]1CCCO1 774248515 DWZMUWSHVWNDNQ-OLZOCXBDSA-N 304.350 -0.325 30 20 DBED C#CCOc1ccc(NC(=O)C(=O)N2CCNC(=O)[C@@H]2C)cc1 784008549 MCELTNQELOGHKX-NSHDSACASA-N 315.329 -0.016 30 20 DBED C#C[C@@H](CCC)NC(=O)N1CCN(S(=O)(=O)N(C)C)CC1 791060156 ZTWCSXDJLZQEET-LBPRGKRZSA-N 316.427 -0.078 30 20 DBED C#CCN1CCN(C(=O)CN[C@H](C)c2nnnn2C2CC2)CC1 792474258 PXALRJYUVRSBIW-GFCCVEGCSA-N 317.397 -0.564 30 20 DBED COCCN(CCC#N)S(=O)(=O)NCC(=O)OCC1CC1 800042382 QJRCTNSTFJBUPX-UHFFFAOYSA-N 319.383 -0.364 30 20 DBED COCc1nc2n(n1)C[C@@H](NC(=O)[C@@](C)(C#N)CC(=O)O)CC2 820749200 JJBZSAQSMGGSPP-LKFCYVNXSA-N 321.337 -0.140 30 20 DBED CS(=O)(=O)N(CC(=O)NCC(=O)O)c1cccc(C#N)c1 820891030 UVJGKTJWLVJJRA-UHFFFAOYSA-N 311.319 -0.475 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)NCCc1ccnn1C 828845600 XTFPLRUMHCUOMS-UHFFFAOYSA-N 306.366 -0.423 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)C2(COC)CC2)CC1 831568506 IVPQXQVIBNODFL-UHFFFAOYSA-N 315.395 -0.975 30 20 DBED C#C[C@H](NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)[C@@H]1CCCO1 860942421 JDWFBOWYQUZTGW-AVGNSLFASA-N 314.407 -0.045 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)NCCC=C)CC1 895690878 AVIVISGHILWWQD-UHFFFAOYSA-N 300.384 -0.643 30 20 DBED CN(C(=O)[C@H]1CNC(=O)N1)[C@@H]1CCN(C(=O)C#CC2CC2)C1 937352240 GUHXZSKPRHAEHR-VXGBXAGGSA-N 304.350 -0.860 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)C2CCN(C(N)=O)CC2)C1 937931081 VSMMKNKYHISBPE-JQWIXIFHSA-N 321.381 -0.346 30 20 DBED Cn1nnc(C(=O)N[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)n1 938460397 SNTJVQSKMBTSNW-VIFPVBQESA-N 314.309 -0.946 30 20 DBED COCC(=O)N1CCO[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 944559884 FHPKJJDWKOHXJE-GFCCVEGCSA-N 306.322 -0.510 30 20 DBED C=CC(C)(C)C(=O)N1CCO[C@H](CNC(=O)[C@H]2CNC(=O)N2)C1 944749444 XINFYPLRIHLROI-GHMZBOCLSA-N 324.381 -0.776 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H]2[C@H]3C[C@H]2N(C(=O)c2cnon2)C3)c1 946881226 YCJWFBKTGQZMNV-AXTRIDKLSA-N 312.289 -0.088 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]1CNC(=O)c1cc(=O)n(C)cn1 950761287 JXSRMCFVQULLCR-NXEZZACHSA-N 303.322 -0.729 30 20 DBED CC#CCN1CC(N(CC)C(=O)c2cnc(O)n(C)c2=O)C1 951121720 ICVGWRVCCLTUDD-UHFFFAOYSA-N 304.350 -0.345 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(N(C)C(=O)[C@@H]2CCNC2=O)CC1 954132547 UNIXXFUZFXEWTH-CMPLNLGQSA-N 306.366 -0.268 30 20 DBED C[C@H](C#N)C(=O)N1CCC(C)(NC(=O)[C@H]2C[C@H]2C(N)=O)CC1 956499401 JIWPRTXXGDESPW-MXWKQRLJSA-N 306.366 -0.235 30 20 DBED C#CCCN1C[C@@H](O)[C@@H](CNC(=O)c2cc(C(N)=O)cn2C)C1 958220338 WURJQWMBASKXNG-GXTWGEPZSA-N 318.377 -0.830 30 20 DBED C#CCCN1C[C@H](CNC(=O)c2cn(C)ccc2=O)[C@@H](O)C1 958250144 XQGWGVUNJZCOIR-WFASDCNBSA-N 303.362 -0.569 30 20 DBED COc1coc(C(=O)NC[C@@H]2CN(CC#N)C[C@@H]2O)cc1=O 958261815 BRARJRIBHZZACA-KOLCDFICSA-N 307.306 -0.806 30 20 DBED CC#CCN1C[C@H](O)[C@H](CNC(=O)c2nnn(CC)c2CC)C1 958403241 BLVICPLLIWGNJQ-OCCSQVGLSA-N 319.409 -0.094 30 20 DBED C#CCCN1C[C@@H](O)[C@@H](CNC(=O)c2cc(C(N)=O)c[nH]2)C1 958524964 DGPORJPBYAKGIA-WCQYABFASA-N 304.350 -0.841 30 20 DBED Cn1ncc(C(=O)NC[C@@H]2CN(CC#N)C[C@H]2O)c1C(F)F 958581938 VVSOBGMLRCRIGQ-PSASIEDQSA-N 313.308 -0.096 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2c3c(nn2C)CCC3)C1 958587271 HUDJINAMXLKASV-BXUZGUMPSA-N 302.378 -0.436 30 20 DBED N#CCN1C[C@@H](O)[C@H](CNC(=O)c2cncnc2C2CC2)C1 958634546 BMKHJNWPCXQEIV-DGCLKSJQSA-N 301.350 -0.100 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CN(C(=O)c3cnn(C)c3N)C[C@H]2C1 961425420 YPVCLSZAJKBHIM-MXWKQRLJSA-N 316.365 -0.308 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CN(C(=O)c3cnn(C)n3)C[C@H]2C1 961924712 UFEVOTDDYIUJHE-GARJFASQSA-N 302.338 -0.495 30 20 DBED C#Cc1cncc(C(=O)NC[C@H]2CCCCN2C(=O)C(N)=O)c1 964568413 CNJUCWABAHUIQL-CYBMUJFWSA-N 314.345 -0.341 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CC[C@H](CNC(=O)c3cnn[nH]3)O2)C1 965560665 IHZPKUMOLHNWNL-NXEZZACHSA-N 318.337 -0.546 30 20 DBED Cn1nc(C(=O)NC2CC3(CC(NCC#N)C3)C2)ccc1=O 965903073 FESMZCYYHJDUGT-UHFFFAOYSA-N 301.350 -0.066 30 20 DBED CCN(C(=O)c1cc(C(N)=O)c[nH]1)C1CN(C(=O)[C@@H](C)C#N)C1 968285528 OQMHVJOGBZZQBI-VIFPVBQESA-N 317.349 -0.054 30 20 DBED C#CCN1CC[C@H](C)[C@@H](NC(=O)c2nccnc2C(N)=O)C1 968628486 ZEOPOXKSTCVIHB-QWRGUYRKSA-N 301.350 -0.351 30 20 DBED N#Cc1c[nH]c(C(=O)N2C[C@@H]3CC[C@H](C2)N3C(=O)C(N)=O)c1 969782572 UUUHCJMJSXMLAB-AOOOYVTPSA-N 301.306 -0.813 30 20 DBED C=C[C@@](C)(CC)C(=O)N1C[C@H](O)[C@H](NC(=O)Cc2nc[nH]n2)C1 970788846 MAWCYOFKQZRSTK-ZETOZRRWSA-N 321.381 -0.363 30 20 DBED C#CCN1C[C@H]2CC[C@H]1CN2C(=O)[C@H]1CCc2nnc(O)n2C1 971536727 WOQPSSPKFGSOPM-RWMBFGLXSA-N 315.377 -0.146 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)C[C@H]3COC(=O)C3)C2)C1 972344283 UQMJCTPYOUDPHQ-CZUORRHYSA-N 306.362 -0.124 30 20 DBED CC#CCN1CCO[C@]2(CCN(C(=O)[C@]3(C)CCNC3=O)C2)C1 972547453 AZTQNCPYPJYORV-IAGOWNOFSA-N 319.405 -0.161 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)c3cnnn3C)C[C@H]21 974974865 MVWJMNPGAKZOBH-HOSYDEDBSA-N 302.338 -0.352 30 20 DBED Cc1c(C(=O)N(C)C[C@H]2CCN2C(=O)[C@H](C)C#N)nnn1C 977509920 WELPZQKMUQLDJQ-MWLCHTKSSA-N 304.354 -0.044 30 20 DBED C=CCN1C[C@H](NC(=O)CN2C(=O)CN(C)C2=O)C(C)(C)C1 977566589 LNZNDPAYYLLNRM-NSHDSACASA-N 308.382 -0.107 30 20 DBED C[C@@]1(C(=O)N2CC(NC(=O)c3c[nH]c(C#N)c3)C2)CNC(=O)C1 990932708 PMZPPBPKMQAQAR-HNNXBMFYSA-N 315.333 -0.647 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(NC(=O)c2cnnn2C)C1 991106149 TYVZFEXHLNMXRZ-YPMHNXCESA-N 319.365 -0.263 30 20 DBED C[C@@H]1CCCN(C(=O)C(=O)NC2CN(C(=O)C#CC3CC3)C2)C1 991637047 WHODHTWREZTQGV-GFCCVEGCSA-N 317.389 -0.015 30 20 DBED C#CCOc1ccc(C(=O)NC2CN(C(=O)C(N)=O)C2)cc1 991673390 QOMVCRSLUOAJNJ-UHFFFAOYSA-N 301.302 -0.876 30 20 DBED C=CCN1CCC[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)[C@H]1C 993413186 KMENPLHTRJHZST-OLZOCXBDSA-N 320.393 -0.298 30 20 DBED CC#CCN1CCC[C@@H](NC(=O)CN2CC(=O)NC2=O)[C@@H]1C 994025443 SGKLWAUMCKIZDO-NWDGAFQWSA-N 306.366 -0.469 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(=O)NCCN(C(=O)C(F)F)CC1 1001778417 WDJBRIZEDAVQGP-VIFPVBQESA-N 316.308 -0.412 30 20 DBED C[C@@H](NC(=O)[C@@H]1COCCN1C)C1CN(C(=O)C#CC2CC2)C1 1005927882 HEWDWXIMEJVGMG-DOMZBBRYSA-N 319.405 -0.307 30 20 DBED C[C@@H](NC(=O)[C@@H]1CCC(=O)NC1)C1CN(C(=O)C#CC2CC2)C1 1006375299 NWTVANAYEWIWBC-DGCLKSJQSA-N 317.389 -0.111 30 20 DBED C[C@H](c1nnnn1C)N1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 1010642679 JIGDCUQROJOZOJ-MWLCHTKSSA-N 314.353 -0.025 30 20 DBED N#CCN1CC[C@H]2[C@H](CCCN2C(=O)Cn2c(O)nnc2O)C1 1021722278 NACBPSHUNOVGBV-MNOVXSKESA-N 320.353 -0.474 30 20 DBED C#CCN1[C@H]2CC[C@H]1CN(C(=O)[C@@H]1CCc3nnnn3CC1)C2 1029483143 IODLMHMWGXGLNF-RDBSUJKOSA-N 314.393 -0.066 30 20 DBED N#CCN1CCC2(CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)CC2)C1 1035223900 FAYATDDAJKVDMO-QWHCGFSZSA-N 320.393 -0.143 30 20 DBED N#CCN1CCO[C@@H](CNC(=O)c2ccnc3ccnn23)C1 1035391127 DUIQIATXTUADDK-NSHDSACASA-N 300.322 -0.317 30 20 DBED CC#CCN1CCO[C@H](CNC(=O)c2cn(C)nc2OC)C1 1035465197 CSAUHAKDIWPZLZ-GFCCVEGCSA-N 306.366 -0.117 30 20 DBED C#CCCN1CCO[C@H](CNC(=O)c2ccc(C(N)=O)nc2)C1 1035623106 WXYICYHAUHHKOA-CYBMUJFWSA-N 316.361 -0.366 30 20 DBED CC#CCN1CC[C@@H]1CNC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 1038251526 BRMCYUYTTNFMSX-QWHCGFSZSA-N 315.377 -0.024 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2CCN2Cc2cn(C)nn2)nn1 1038788982 DDHYQVRTMMDWNX-GFCCVEGCSA-N 316.369 -0.403 30 20 DBED C#CCCCC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1040613985 SYWJGPFBXJKKPS-SHFYGJNESA-N 320.389 -0.238 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)c2n[nH]cc2F)C1 1040834873 NUIMVZYDZZYQHN-SDBXPKJASA-N 309.301 -0.598 30 20 DBED C=CCCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)C(F)F)C1 1041064557 ZSKZRIHEUDIMKT-VIFPVBQESA-N 306.309 -0.078 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)c3cccnn3)C2)nn1 1041139127 JEKUJMZKKZRDHX-VXGBXAGGSA-N 311.305 -0.882 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)COCC2CC2)C1 1041649684 XSWNQRHJXUAQPW-LBPRGKRZSA-N 324.377 -0.859 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(O)(CNC(=O)/C=C\C2CC2)C1 1042311359 AFDNGAPWTRPZNW-IDTUSYRASA-N 308.378 -0.031 30 20 DBED N#Cc1cc(C(=O)NCC2(O)CN(C(=O)[C@@H]3CC3(F)F)C2)c[nH]1 1042669877 ZCXWLNSFGAFLLD-JTQLQIEISA-N 324.287 -0.155 30 20 DBED CO[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1NC(=O)[C@H]1CCOC1 1042779081 GEYGZBKADIAGAK-CYZMBNFOSA-N 317.349 -0.295 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)[C@@H](C)SC)C1 1043036917 UEPDJPAGABXESQ-GHMZBOCLSA-N 314.407 -0.534 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)C[C@](C)(O)C=C)C1 1043039554 HRSYZNRAMYRZPL-IUODEOHRSA-N 324.377 -0.959 30 20 DBED C=CCC(C)(C)C(=O)NCC1(O)CN(C(=O)Cc2nc[nH]n2)C1 1043061856 OFDDOHSKXKMMPO-UHFFFAOYSA-N 321.381 -0.361 30 20 DBED O=C(Cc1cscn1)NCC1(O)CN(C(=O)C#CC2CC2)C1 1043093101 UTTCDXWRURAJDI-UHFFFAOYSA-N 319.386 -0.212 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)C[C@@H]2CCN(C)C2)C1 1044010879 FMIDICMSAHIBEL-AWEZNQCLSA-N 321.421 -0.323 30 20 DBED C=CCn1cc(C(=O)N(C)C2CN(Cc3cnn(C)n3)C2)nn1 1044022756 SHNUJXGUCYXFGM-UHFFFAOYSA-N 316.369 -0.451 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)c3nccs3)C2)nn1 1044136379 MVJDXXWBNDMLRJ-ZJUUUORDSA-N 316.346 -0.216 30 20 DBED CCCN(C)CC(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1044298861 QGCUFSHPFGLJOT-UHFFFAOYSA-N 307.394 -0.569 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)c3cnco3)C2)nn1 1044361290 DFRCLTQAVBAPHX-ZJUUUORDSA-N 300.278 -0.684 30 20 DBED C#CCN[C@H]1CCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)[C@H](C)C1 1044762097 DNTAWPMFRYKJOB-MNOVXSKESA-N 320.349 -0.991 30 20 DBED C=CCCCC(=O)NCC1(O)CN(C(=O)C2(C(N)=O)CC2)C1 1045454851 DKILAECFGYHJDA-UHFFFAOYSA-N 309.366 -0.702 30 20 DBED C#CCN1CC[C@@H](N2CCN(C(=O)c3ccc(O)nn3)CC2)C1 1045998828 DMDHMKOGKTVRDO-CYBMUJFWSA-N 315.377 -0.353 30 20 DBED C#CCCN1C[C@@H]2CCCN(C(=O)Cn3c(O)nnc3O)[C@@H]2C1 1050192112 WDPURNVHHZRGSH-NWDGAFQWSA-N 319.365 -0.365 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H]([C@@H](C)NC(=O)COCC)C1 1050489310 BFAZGALUGSDUCK-CHWSQXEVSA-N 323.393 -0.484 30 20 DBED N#Cc1nccc(N2CC[C@@H](NC(=O)c3ccon3)[C@@H](O)C2)n1 1051631984 NCJVIBUPWVSRNJ-KOLCDFICSA-N 314.305 -0.294 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1C 1053159906 CJSMGBAYWMIQSG-GHMZBOCLSA-N 307.354 -0.168 30 20 DBED C#CCN1CC2(C1)CN(C(=O)c1cnc3[nH]nnc3c1)CCO2 1053288432 JRSIHZJGIQOOBS-UHFFFAOYSA-N 312.333 -0.487 30 20 DBED CN1CCO[C@H](C(=O)NC[C@H]2CCC3(CN(CC#N)C3)O2)C1 1053586310 QLDLPMMECSMMLR-OLZOCXBDSA-N 308.382 -0.810 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)C[C@@H]3CCC(=O)NC3)CO2)C1 1053828403 STKWBTZXUJBVHD-STQMWFEESA-N 305.378 -0.505 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)c3c(C)ncnc3O)CO2)C1 1053902178 WJVDTGBKXMDOMJ-LLVKDONJSA-N 302.334 -0.303 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)[C@@H]3CCN(C(C)=O)C3)CO2)C1 1053995035 SOYRFZWGZRAZTK-HUUCEWRRSA-N 319.405 -0.162 30 20 DBED C[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1NCc1nnn(C)n1 1054585813 BVGYJZGNNVRHLS-CABZTGNLSA-N 314.353 -0.340 30 20 DBED Cc1cn2nc(C(=O)N3C[C@@H](NCC#N)[C@H](C)C3)cc2c(=O)[nH]1 1054929958 IVCKERXLEOEWCX-BXKDBHETSA-N 314.349 -0.095 30 20 DBED COCCC(=O)N[C@]1(CO)CCCN(C(=O)C#CC2CC2)C1 1055663424 JCOSITSRBDQOIY-MRXNPFEDSA-N 308.378 -0.094 30 20 DBED N#Cc1cncc(N2C[C@@H]3C(NC(=O)c4cnnc(O)c4)[C@H]3C2)n1 1056334156 YIMMGURQXWNNMC-QWRGUYRKSA-N 323.316 -0.292 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)CCNC(N)=O 1056400347 SHRPLHIWTDQZQO-GRYCIOLGSA-N 321.381 -0.204 30 20 DBED Cc1cc(C#N)nc(N[C@@H]2CCN(C(=O)[C@@H]3CCC(=O)N3)C2)n1 1056674352 HFXLEZWOFDRJPR-PWSUYJOCSA-N 314.349 -0.052 30 20 DBED N#Cc1nc(=N[C@@H]2CCN(C(=O)C3(C(N)=O)CC3)C2)cc[nH]1 1056759524 FRGGNMKLQWVETQ-SECBINFHSA-N 300.322 -0.952 30 20 DBED CCCOCC(=O)NCCN(CCO)C(=O)CSCC#N 1057026649 HCHHPGVFQIYAIM-UHFFFAOYSA-N 317.411 -0.393 30 20 DBED CCn1ccnc1C(=O)N(CCO)CCNC(=O)C#CC1CC1 1057456617 BTELPVQOMWRSLX-UHFFFAOYSA-N 318.377 -0.133 30 20 DBED CC[C@H](C(=O)NCCN(CCO)C(=O)C#CC1CC1)N(C)C 1057532834 CDCWAKHETZVNEI-CQSZACIVSA-N 309.410 -0.323 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)c1cn2c(n1)CCC2 1057736448 DHTZSDFRNYOXJJ-LLVKDONJSA-N 319.365 -0.460 30 20 DBED Cn1nnc(C(=O)NC2CCN(c3ccc(C#N)nn3)CC2)n1 1057927760 NJFIMDPCXOOHSA-UHFFFAOYSA-N 313.325 -0.729 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)c1c[nH]nc1CC 1058053612 LXQLPIHZPDIRPA-UHFFFAOYSA-N 324.381 -0.275 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)C[C@H]1CCC(=O)N1 1058073410 MSFXMWVMIXWSRW-CYBMUJFWSA-N 323.393 -0.604 30 20 DBED N#Cc1nccnc1N1CCC[C@@H](NC(=O)[C@@H]2CCNC2=O)C1 1058220909 PFYZRRLRYVYCOP-GHMZBOCLSA-N 314.349 -0.431 30 20 DBED C=C[C@H](CC)CC(=O)N(CCO)CCNC(=O)c1cnnn1C 1058466380 MMVVOKPSLQMZOV-GFCCVEGCSA-N 323.397 -0.032 30 20 DBED Cc1cc(C#N)nc(N2CC[C@@H](NC(=O)[C@H]3CNC(=O)N3)C2)n1 1058531575 STYCAXVIPTYJLU-MWLCHTKSSA-N 315.337 -0.967 30 20 DBED Cn1cc(C(=O)N[C@H]2CCN(c3ccnc(C#N)n3)C2)nc1O 1058532969 POJHGKONCUUXOJ-VIFPVBQESA-N 313.321 -0.204 30 20 DBED Cn1cc(C(=O)N[C@H]2CCN(c3nccnc3C#N)C2)nc1O 1058533073 STQLOWVGYBZKMB-VIFPVBQESA-N 313.321 -0.204 30 20 DBED C=CCOCC(=O)NCC[C@H]1CCN(C(=O)CNC(N)=O)C1 1059119167 OGDLJJSGPYJDKI-NSHDSACASA-N 312.370 -0.788 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](CCNC(=O)COCC)C1 1059502539 SZPRSFLTTMUCJJ-CYBMUJFWSA-N 323.393 -0.483 30 20 DBED Cc1cc(C#N)nc(N(C)[C@H]2CCCN(C(=O)C(N)=O)C2)n1 1061258591 GTVZVMBNJCEAJT-NSHDSACASA-N 302.338 -0.431 30 20 DBED C#CCCCC(=O)NC[C@@H]1COCCN1C(=O)CCCC(N)=O 1061534217 KHPSODAKWBKSHC-CYBMUJFWSA-N 323.393 -0.211 30 20 DBED C#CCCCC(=O)NC[C@H]1COCCN1C(=O)Cc1nc[nH]n1 1061539122 XKSQSPCVPLEQNQ-LBPRGKRZSA-N 319.365 -0.506 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1COCCN1C(=O)c1cnon1 1061572137 PBDSBNTYKOSIQA-LLVKDONJSA-N 304.306 -0.560 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)c1cn(C)cn1 1061848926 WUAQHSTUVSHGLV-WDEREUQCSA-N 305.338 -0.463 30 20 DBED Cc1cc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)Cn2cnnn2)c(C#N)cn1 1064221348 RUZSVPDGFZLLQH-DGFSRKRXSA-N 324.348 -0.358 30 20 DBED N#Cc1cncc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)c2cnnc(O)c2)n1 1064309352 NTGQMCVUNZCMHT-PUYPPJJSSA-N 323.316 -0.149 30 20 DBED N#Cc1ccc(N2CC[C@]3(CCN(C(=O)CC(N)=O)C3)C2)nn1 1064610017 OYQWDQZCXVJLMV-HNNXBMFYSA-N 314.349 -0.348 30 20 DBED C=CCOCC(=O)N1CCO[C@@H](CNC(=O)COCC)C1 1064976685 NZVOYDJJZFWVIH-LBPRGKRZSA-N 300.355 -0.431 30 20 DBED C=CCOCC(=O)N1CC2(CN(C(=O)CSC)CCO2)C1 1068288246 LSXOHLNRZWHSEW-UHFFFAOYSA-N 314.407 -0.008 30 20 DBED C[C@@H]1C[C@@H](CNc2nccnc2C#N)CN1C(=O)CC(N)=O 1068303428 PLTIDMUBQZMRAT-ZJUUUORDSA-N 302.338 -0.127 30 20 DBED C=CCOCC(=O)N1CCOC2(C1)CN(C(=O)CSC)C2 1068355773 VMKSCSROSAZMAL-UHFFFAOYSA-N 314.407 -0.008 30 20 DBED C=CCCC(=O)N1CC2(C[C@H](NC(=O)[C@@H]3COC(=O)N3)CO2)C1 1068842100 GAHHMNIGWLSSJS-QWRGUYRKSA-N 323.349 -0.453 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@H]2COC(=O)N2)C[C@H]1c1cn(C)cn1 1070489275 SMGFPDUMBUDKTL-CYZMBNFOSA-N 317.349 -0.954 30 20 DBED C=CCOCC(=O)N1CCC[C@@H](NC(=O)[C@H]2CCN(C)C2=O)C1 1070554813 ATHIFZVCQAIOLR-CHWSQXEVSA-N 323.393 -0.226 30 20 DBED CO[C@H](C)CN1CCNC(=O)CCN(C(=O)[C@H](C)C#N)CC1 1070947278 PUSNEAATBLEBDZ-CHWSQXEVSA-N 310.398 -0.169 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)c2[nH]cnc2C)CC1 1071025780 WYZDIDWVIPDLTB-UHFFFAOYSA-N 303.366 -0.385 30 20 DBED C=CCOCC(=O)N[C@H]1CN(C(=O)c2nnn(C)c2C)C[C@H]1C 1071854249 XODSYCDDPNTMTL-PWSUYJOCSA-N 321.381 -0.097 30 20 DBED CC#CCN1CCCO[C@@H](CNC(=O)[C@@H]2CCCNC2=O)C1 1073649209 PHHQSKZMJRYAJP-UONOGXRCSA-N 307.394 -0.257 30 20 DBED COc1ccc(C(=O)NC[C@H]2CN(CC#N)CCCO2)nn1 1073845492 QJWHVPRHDYNNBL-NSHDSACASA-N 305.338 -0.171 30 20 DBED C=CCOCC(=O)N1CC[C@H](NC(=O)Cn2nccn2)[C@@H](C)C1 1073983015 LODGYPBAZFUCDW-STQMWFEESA-N 321.381 -0.166 30 20 DBED CC#CCN1CCO[C@H]2CCN(C(=O)CS(C)(=O)=O)C[C@@H]21 1074188152 OGFLVDFEQLUQCL-STQMWFEESA-N 314.407 -0.644 30 20 DBED C#CCCN1CCO[C@@H]2CCN(C(=O)c3nnn(C)n3)C[C@H]21 1074317233 LZMHIWPOIYHMAS-VXGBXAGGSA-N 304.354 -0.851 30 20 DBED N#CCN1CCO[C@H]2CCN(C(=O)c3c[nH]c(C(N)=O)c3)C[C@@H]21 1074404964 KLFXOSKNDKBQPF-STQMWFEESA-N 317.349 -0.448 30 20 DBED C#CCN[C@H]1CCN(C(=O)C[C@]2(C)CCS(=O)(=O)N2)[C@H]1C 1075072925 IJAGNHMNOADCBW-OBJOEFQTSA-N 313.423 -0.330 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1cnn[nH]1 1077298417 FMRSGCQABCIACD-AAEUAGOBSA-N 318.381 -0.473 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)c2nnc(O)nc2O)C1 1077311184 VYTICLUVAAKTNR-RKDXNWHRSA-N 309.326 -0.976 30 20 DBED C#CCOc1ncccc1C(=O)N[C@@H]1CN(CCCO)C[C@H]1O 1078027872 MAAJCGSEPIBDRO-ZIAGYGMSSA-N 319.361 -0.749 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H](C)CCNC(=O)c1c[nH]c(=O)cn1 1078078349 RRRDYUKDFIJSQF-WDEREUQCSA-N 320.349 -0.567 30 20 DBED C#CCN[C@H]1C[C@@H](NC(=O)c2nnc(O)nc2O)C12CCC2 1078671218 SFKPFYZHCDKXQU-DTWKUNHWSA-N 303.322 -0.453 30 20 DBED C=CCOCC(=O)NC1(CO)CCN(C(=O)c2cocn2)CC1 1080773514 QWPCCSFHXDSSTF-UHFFFAOYSA-N 323.349 -0.040 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)c2cnn(C)c2N)C[C@H]1O 1081336246 WCRFXMXILXAWLY-ZYHUDNBSSA-N 321.381 -0.482 30 20 DBED C=CCOCC(=O)N1C[C@H](CNC(=O)Cc2ccon2)[C@@H](O)C1 1081365047 KGXHPQCNJDJKIM-AAEUAGOBSA-N 323.349 -0.645 30 20 DBED CCOCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 1081373192 DSEIKWPIXTUYLE-DGCLKSJQSA-N 320.349 -0.528 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CCC(=O)NC1 1083127378 MGBSKUKFZOHPNS-MELADBBJSA-N 305.378 -0.553 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)C[C@H]2CCCCN2C(C)=O)C1 1083855443 MJUGWGFAOQWVBC-OAGGEKHMSA-N 321.421 -0.038 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2n[nH]cc2Br)C1 1083868839 AKNJPEPFWTVFQG-SFYZADRCSA-N 314.143 -0.529 30 20 DBED C[C@H]1CC2(CCN(CC#N)CC2)CN1C(=O)[C@H]1CNC(=O)N1 1086940752 YZTPGQDVUUDVRX-NWDGAFQWSA-N 305.382 -0.106 30 20 DBED C[C@H](C[C@@H](C)NC(=O)C1(C(N)=O)CC1)N=c1cc[nH]c(C#N)n1 1089463585 FEXKEKOCFVSTEB-NXEZZACHSA-N 316.365 -0.269 30 20 DBED C=C(C)CCN1CC[C@@H](NC(=O)C2CS(=O)(=O)C2)[C@H](O)C1 1090291825 JYDIJCYQZDULNP-CHWSQXEVSA-N 316.423 -0.451 30 20 DBED COC[C@H](C)C(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1O 1090388248 VUVXDTCNNQJCAJ-ZLKJLUDKSA-N 304.350 -0.099 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(c2cc(OCC)ncn2)C[C@H]1O 1090390900 BJRYQTNBYUOYCY-VXGBXAGGSA-N 322.365 -0.256 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1O 1090445987 VHZPOXOHBFGUIX-CHWSQXEVSA-N 317.349 -0.393 30 20 DBED CNC(=O)CC(=O)N1C[C@@H](C)[C@H](CNc2cncc(C#N)n2)C1 1092646184 DTDRSJJDEZHMSV-GHMZBOCLSA-N 316.365 -0.009 30 20 DBED COC[C@H](OC)C(=O)N1CCN(c2cnc(C#N)cn2)CC1 1093193798 ZTKYWNCSJRDYFN-LBPRGKRZSA-N 305.338 -0.342 30 20 DBED CC(=O)NCC(=O)N[C@H]1[C@@H]2CN(c3cnc(C#N)cn3)C[C@@H]21 1093216131 WJKWZVVXSDOHIU-YABSGUDNSA-N 300.322 -0.965 30 20 DBED N#Cc1cncc(NCCNC(=O)CNC(=O)C2CCC2)n1 1093672950 FDKYKLOFWRYTKI-UHFFFAOYSA-N 302.338 -0.207 30 20 DBED N#Cc1nc(=NCCNC(=O)[C@H]2CCCCN2C(N)=O)cc[nH]1 1093856125 MAMQRMUJVYZRKK-SNVBAGLBSA-N 317.353 -0.769 30 20 DBED CN1C[C@H](C(=O)NCCCNc2ccc(C#N)cn2)NC1=O 1094709453 PUZORCCAWUTTKV-LLVKDONJSA-N 302.338 -0.105 30 20 DBED CN(CCCNC(=O)[C@@H]1CCNC(=O)C1)c1cnc(C#N)cn1 1095516051 IQKHWBWPBLGHQW-LLVKDONJSA-N 316.365 -0.183 30 20 DBED CN(CCCNC(=O)Cn1cnnc1O)c1ccc(C#N)nc1 1095541460 ZZQVWZONOJYRCI-UHFFFAOYSA-N 315.337 -0.107 30 20 DBED CNC(=O)C1(C(=O)NCCCN(C)c2ccc(C#N)nn2)CC1 1095589064 SATQBGDJOXHFAB-UHFFFAOYSA-N 316.365 -0.183 30 20 DBED COC[C@H](OC)C(=O)NC[C@H](N=c1cc[nH]c(C#N)n1)C1CC1 1096811535 QBQPIKHWZSQRJB-RYUDHWBXSA-N 319.365 -0.262 30 20 DBED C[C@H](CNC(=O)[C@@H]1COCCN1C)N=c1cc[nH]c(C#N)n1 1097764261 DJOGLBGVBBNKNF-MNOVXSKESA-N 304.354 -0.983 30 20 DBED CNC(=O)NCCC(=O)NC[C@@H](C)N=c1cc[nH]c(C#N)n1 1097806697 RZLZDMFKLDLRBT-SECBINFHSA-N 305.342 -0.994 30 20 DBED C[C@@H](CNC(=O)c1ccc(=O)n(C)n1)Nc1cncc(C#N)n1 1097851888 YPCHQUZNMNSDGR-VIFPVBQESA-N 313.321 -0.328 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CCCS1(=O)=O)N=c1cc[nH]c(C#N)n1 1097882515 DGBRVEHGKWWSLU-UWVGGRQHSA-N 323.378 -0.736 30 20 DBED C[C@H](CNC(=O)[C@@H]1CCCS1(=O)=O)Nc1nccnc1C#N 1097884222 XYULGGYAWVINEU-KOLCDFICSA-N 323.378 -0.158 30 20 DBED CC(=O)NCC(=O)N1CC[C@@H](CNc2ccc(C#N)nn2)C1 1098496685 TVBFPONWTPJBKI-NSHDSACASA-N 302.338 -0.255 30 20 DBED CC(=O)N1CCC[C@H]1C(=O)N1CCC(N(CC#N)CCO)CC1 1098538574 SOKZMQCEHMGRAO-HNNXBMFYSA-N 322.409 -0.194 30 20 DBED C[C@H](CCNC(=O)[C@H]1COC(=O)N1)N=c1cc[nH]cc1C#N 1099076927 ICZONSRIBXIVMU-BXKDBHETSA-N 303.322 -0.210 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(CCOCCOC)C[C@@H]1O 1099739042 WCTOKKFIAJKEJY-KBPBESRZSA-N 316.398 -0.597 30 20 DBED C=CCN1CC[C@H](NC(=O)CNC(=O)c2ccncc2)[C@H](O)C1 1099841494 LKNYIEDXLIUQLG-UONOGXRCSA-N 318.377 -0.451 30 20 DBED C#CCN1CC[C@@H](NC(=O)CS(=O)(=O)CC(C)C)[C@H](O)C1 1099894820 QSMDJFHHPKNWLV-CHWSQXEVSA-N 316.423 -0.758 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)C(C)(C)C=C)[C@@H](O)C1 1099944265 LCFKXVDMKXWTAG-STQMWFEESA-N 307.394 -0.501 30 20 DBED Cc1nn(C)cc1CCC(=O)N[C@H]1CCN(CC#N)C[C@@H]1O 1100024289 HBIKCGAWOXGPIH-KBPBESRZSA-N 305.382 -0.264 30 20 DBED CC#CCN1CC[C@@H](NC(=O)C(C)(C)NC(=O)NC)[C@@H](O)C1 1100126578 JGKXWLNXBHAJTA-NEPJUHHUSA-N 310.398 -0.731 30 20 DBED C#CCNC(=O)CC(=O)NCC1CC(NCc2ncccn2)C1 1100261875 UYUQNDFMZFAURJ-UHFFFAOYSA-N 315.377 -0.400 30 20 DBED CC(C)(O)CC(=O)N1C[C@H]2CN(CC(=O)NCC#N)C[C@@]2(C)C1 1101214003 IVAUXOIYBNQIOH-WBMJQRKESA-N 322.409 -0.433 30 20 DBED N#Cc1ccc(N(CCNC(=O)CNC(N)=O)C2CC2)nc1 1101280342 UBTNQSIVFIESPQ-UHFFFAOYSA-N 302.338 -0.293 30 20 DBED CCc1nc(C#N)cc(NCCN(C)C(=O)CNC(N)=O)n1 1101485481 MIHUFABZBFVCII-UHFFFAOYSA-N 305.342 -0.551 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)CC(=O)NC)c3nccn32)C1 1101624286 QQYIATDABDEOOH-LBPRGKRZSA-N 315.377 -0.386 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1CNC(=O)[C@@]1(C)CCOC1 1102481671 RMRGNASUXZPOTF-IOASZLSFSA-N 322.409 -0.263 30 20 DBED CC[C@H](CNC(=O)c1nnn(C)n1)Nc1nc(C)cc(C#N)n1 1103275345 IIIWDYJSQUXNBV-SECBINFHSA-N 315.341 -0.199 30 20 DBED C[C@H](CNC(=O)CCNC(N)=O)CNc1ccc(C#N)nn1 1103968145 YLQKHXVDDJQEGX-VIFPVBQESA-N 305.342 -0.429 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)[C@H]1CCC(=O)N1C 1104779469 BDQKWFIRJHDFFJ-GHMZBOCLSA-N 316.365 -0.350 30 20 DBED N#CCNCc1cn(C2CN(C(=O)c3ccc(C#N)[nH]3)C2)nn1 1105213902 SWFQOZYHBHJUFB-UHFFFAOYSA-N 310.321 -0.212 30 20 DBED C#CCNCc1cn(C2CN(C(=O)c3cc(OC)no3)C2)nn1 1105215658 FNUZXUSOTSGAFP-UHFFFAOYSA-N 316.321 -0.305 30 20 DBED CN(CCN(C)c1nccnc1C#N)C(=O)[C@]1(C)CCC(=O)N1 1105552839 JMVULGONHYKILI-HNNXBMFYSA-N 316.365 -0.088 30 20 DBED N#Cc1cnc(NC[C@H](O)CNC(=O)C[C@@H]2CCOC2)cn1 1105760758 YHTQJAJWTQNFCO-JQWIXIFHSA-N 305.338 -0.336 30 20 DBED Cc1ccn(C)c1C(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1 1105812400 BTYXAAXDQLEDFL-LLVKDONJSA-N 314.349 -0.380 30 20 DBED CC(C)N(C)CC(=O)NC[C@@H](O)CNc1ccc(C#N)nn1 1105868553 BMWKASVPDHFPTE-LBPRGKRZSA-N 306.370 -0.423 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)C[C@H]2CCC(=O)N2)cn1 1105894875 WQKOBZIFJFQWEW-ZWNOBZJWSA-N 317.349 -0.489 30 20 DBED C#CCOCCC(=O)N1C[C@@H](C)[C@H](CN[C@@H]2CCNC2=O)C1 1106115630 ZJNFGYPGHKENOF-MGPQQGTHSA-N 307.394 -0.401 30 20 DBED C[C@@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)CNC(=O)C1CC1 1106208923 PSSIAZWCCUNDFH-JTQLQIEISA-N 316.365 -0.397 30 20 DBED C[C@@H](CCNc1cncc(C#N)n1)NC(=O)[C@@H]1CCNC1=O 1106514873 CQLOFNKIPTZEFN-GXSJLCMTSA-N 302.338 -0.209 30 20 DBED N#Cc1c[nH]ccc1=NC/C=C\CNC(=O)[C@H]1CCNC(=O)C1 1107122091 LZPDYEDZWGXFMQ-BIOMNHJASA-N 313.361 -0.014 30 20 DBED C[C@H](O)CN1CCO[C@@](C)(CNC(=O)CSCC#N)C1 1107754148 RUDWTODQHVWPTG-AAEUAGOBSA-N 301.412 -0.169 30 20 DBED CC#CCN1CCO[C@](C)(CNC(=O)CCc2cnn(C)n2)C1 1108220384 VLLJLIKEGKIDNI-MRXNPFEDSA-N 319.409 -0.022 30 20 DBED C[C@@H](CNc1ccc(C#N)nc1)NC(=O)CCn1cnnn1 1108483915 BPWGLQAGQHVWEX-JTQLQIEISA-N 300.326 -0.053 30 20 DBED C[C@@H](CN(C)c1cncc(C#N)n1)NC(=O)C1CS(=O)(=O)C1 1109117093 SNROIWRHHZPTAH-VIFPVBQESA-N 323.378 -0.666 30 20 DBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cc[nH]c1 1109316292 YFEJPHUERLUNRF-AGIUHOORSA-N 301.350 -0.010 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@]1(C)CNC(=O)C1 1109545618 FLLZTHPZJJBAFV-FHIRATQRSA-N 319.405 -0.116 30 20 DBED N#Cc1nc(=NC[C@H](NC(=O)C2=COCCO2)C2CC2)cc[nH]1 1109784529 HWDWVZZRLCHKGR-NSHDSACASA-N 315.333 -0.035 30 20 DBED C[C@@H](C#N)C(=O)NC[C@]1(O)CCN(c2ccc(C#N)nn2)C1 1111042290 RZAAJIDGCCJCNE-IINYFYTJSA-N 300.322 -0.435 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)[C@H](OC)C2CC2)CC1 1112815438 QOXUJWGIDDVWNF-GXTWGEPZSA-N 307.394 -0.307 30 20 DBED C[C@H](N=c1cc[nH]c(C#N)n1)[C@H](C)NC(=O)c1cnnn1C 1113023287 FYYAOELYKIFLMN-IUCAKERBSA-N 300.326 -0.482 30 20 DBED C[C@@H](CNC(=O)CS(C)(=O)=O)N(C)c1ccc(C#N)nc1 1113520827 JKYDBJFURPGDEM-JTQLQIEISA-N 310.379 -0.061 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1C)N(C)c1nccnc1C#N 1113811734 BHTRPCMUCCLOOW-JQWIXIFHSA-N 316.365 -0.090 30 20 DBED C[C@H](CNC(=O)[C@H]1CNC(=O)N1)N(C)c1ccc(C#N)nc1 1113870425 YUMSUAVFWMAQSN-BXKDBHETSA-N 302.338 -0.424 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1[C@@H]2CN(Cc3cc(C)on3)C[C@@H]21 1114158505 YQBRCONSKOKYDF-VIKVFOODSA-N 316.361 -0.331 30 20 DBED C#CCCCC(=O)NC1[C@H]2CN(CC(=O)N3CCOCC3)C[C@H]12 1114199176 PMDCEYHCIDFOGG-KBPBESRZSA-N 319.405 -0.305 30 20 DBED C#CCCCC(=O)NC1[C@@H]2CN([C@H](C)C(=O)NC(N)=O)C[C@@H]12 1114200555 AWUNYLSMAAIYAP-GMTAPVOTSA-N 306.366 -0.580 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)CC(C)(C)O)[C@H]2C1 1114211986 FBMGWTZFXXRQRD-SRVKXCTJSA-N 307.394 -0.668 30 20 DBED C#CCOCCC(=O)N[C@H]1[C@@H]2CN([C@@H]3CCN(C)C3=O)C[C@@H]21 1114269030 VGMKHXJSENKUGB-COMQUAJESA-N 305.378 -0.697 30 20 DBED C=CCn1cc(C(=O)N[C@H]2[C@@H]3CN(CC(=O)NCC)C[C@@H]32)nn1 1114941318 AKXQLDIGNDAVBA-YABSGUDNSA-N 318.381 -0.740 30 20 DBED C=CCCOCC(=O)NC1[C@H]2CN(Cc3nnnn3C)C[C@H]12 1115323989 JFDWDOKOYLRKMH-QWRGUYRKSA-N 306.370 -0.651 30 20 DBED C=CCO[C@H](C)C(=O)NC1[C@H]2CN(CCS(C)(=O)=O)C[C@H]12 1115333713 ZFIMSMBGKMRBCJ-WOPDTQHZSA-N 316.423 -0.332 30 20 DBED C[C@@H](CN(C)C(=O)[C@H]1CCC(=O)N1)Nc1cncc(C#N)n1 1115656612 NVPCERIKCWQPJY-GXSJLCMTSA-N 302.338 -0.114 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)c2nnc(C)o2)C1=O 1115942496 ZAPIIMHCNBJINU-SSDOTTSWSA-N 322.277 -0.041 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@@H](C)c1ncn(C)n1)[C@@H]1CCCO1 1117580732 GGNHVWDTVXYQMU-DCAQKATOSA-N 305.338 -0.711 30 20 DBED CC(C)(C)N1CC[C@@H](NC(=O)C(=O)N2CC[C@@](F)(C#N)C2)C1=O 1118228782 VTHIDIFBCTWGGS-MEBBXXQBSA-N 324.356 -0.034 30 20 DBED CC(C)N1CCC(NC(=O)Cn2cc(CNCC#N)nn2)CC1 1119336474 ZNSRAGWMGWOIMY-UHFFFAOYSA-N 319.413 -0.120 30 20 DBED Cc1ccc(C(=O)NC[C@H](CO)Nc2nccnc2C#N)nn1 1121445834 FFLCWPGBFKTVDL-SNVBAGLBSA-N 313.321 -0.351 30 20 DBED Cn1ccc(C(=O)NC[C@@H](CO)N=c2cc[nH]cc2C#N)n1 1121580112 FYTHCCIREUGJLC-NSHDSACASA-N 300.322 -0.689 30 20 DBED CC(C)OCCCC(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1 1121711170 KBUMYGOLSRYWCS-LBPRGKRZSA-N 321.381 -0.136 30 20 DBED N#Cc1nc(=N[C@@H](CO)CNC(=O)[C@@H]2C[C@@H]3C[C@@H]3C2)cc[nH]1 1122385532 MXZROGRTEZLSOT-NOOOWODRSA-N 301.350 -0.295 30 20 DBED CN(C[C@H](O)CNc1ccc(C#N)cn1)C(=O)c1cnon1 1124466729 YQIMCGGSOSXIHG-SNVBAGLBSA-N 302.294 -0.119 30 20 DBED C#CCCCC(=O)NCCNCC(=O)N1CCN(C(C)=O)CC1 1126343617 CDYIJAUCXLWJQE-UHFFFAOYSA-N 322.409 -0.814 30 20 DBED CNC(=O)CC(=O)N(C)CCOCCNc1cnc(C#N)cn1 1127275007 LUDTUJIGUKQKCY-UHFFFAOYSA-N 320.353 -0.629 30 20 DBED COCC#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)C(C)C)C1 1128701345 YDLLWIWAOCXYRH-KGLIPLIRSA-N 305.382 -0.075 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1cnn2ccncc12 1129569176 GKIYYZOHOXKSAO-NSHDSACASA-N 314.349 -0.813 30 20 DBED C=CCCN1C[C@H]2C[C@@H]3CN(C(=O)CNC(=O)NC)C[C@@]3(C1)O2 1131237248 FYDAPIRMWAZSHE-XJKCOSOUSA-N 322.409 -0.207 30 20 DBED CC(C)(C)C#CC(=O)N1CCC(=O)NCCN(CC(N)=O)CC1 1131357464 YCLJDQDXRMWCRP-UHFFFAOYSA-N 322.409 -0.828 30 20 DBED C[C@H]1CC[C@H](NC(=O)CSCC#N)CN1Cc1nnnn1C 1131866113 UNFOZQDKUYSMDW-QWRGUYRKSA-N 323.426 -0.064 30 20 DBED C[C@H]1CC[C@@H](NC(=O)C(C)(C)C(N)=O)CN1CC(=O)NCC#N 1132120426 ROSMZJBAVDANRQ-WDEREUQCSA-N 323.397 -0.893 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)[C@@H](F)CC 1132447185 VXRPOBWYYNASPV-ZJUUUORDSA-N 302.350 -0.159 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@@H](C)N(C)CC(F)(F)F 1132788009 UAHYKYBGUJKPEH-SNVBAGLBSA-N 324.347 -0.123 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@H](C)c1cncnc1 1132819339 APLDANMKRSEDIK-VXGBXAGGSA-N 303.366 -0.576 30 20 DBED C[C@H]1CCN(C(=O)CN2C(=O)CCC2=O)C[C@@H]1CNCC#N 1133301010 CJHKEHUYHXFBMN-RYUDHWBXSA-N 306.366 -0.267 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)c1cc(C)[nH]n1 1133866893 OHGJKOKDUDUWCZ-GHMZBOCLSA-N 305.382 -0.046 30 20 DBED CCC(=O)NCC(=O)N[C@@H](C)C[C@@H](C)NCC(=O)NCC#N 1133970103 RLEDGCRPHSPRGE-MNOVXSKESA-N 311.386 -0.975 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)c1n[nH]cc1C 1134303247 QAKIPFHDXGYMID-NEPJUHHUSA-N 305.382 -0.046 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)CCc1cn[nH]c1 1135050230 YCTDKWSQVUQPJR-UHFFFAOYSA-N 322.369 -0.940 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)C[C@@H]1CCC(=O)N1 1135231888 PZBGNLZOJDJTOM-ZDUSSCGKSA-N 322.409 -0.439 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)c2cccn(C)c2=O)C1=O 1148309642 QKNWVECIZIFDMX-ZDUSSCGKSA-N 318.377 -0.508 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCC2(CN(C(=O)c3cnon3)C2)C1 1148472195 ZZGHWOPAVDNBLT-LLVKDONJSA-N 319.365 -0.092 30 20 DBED COc1ccc(CC(=O)NCCNCC(=O)NCC#N)cc1 1148881243 NFWWPTUQYWOTBT-UHFFFAOYSA-N 304.350 -0.417 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CN(CC(=O)N(C)C2CC2)CCCO1 1149400332 WKTFSWQFGWVSBZ-OCCSQVGLSA-N 322.409 -0.026 30 20 DBED Cn1ccnc1COCC(=O)NC[C@H]1CN(CC#N)CCCO1 1149888903 LXOSBOPNFPFELI-ZDUSSCGKSA-N 321.381 -0.333 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)C(C)(C)NC(=O)NC)C1 1150779534 TWQNFOOADLLGMI-GFCCVEGCSA-N 310.398 -0.466 30 20 DBED Cn1[nH]c(CNCCNC(=O)CC#Cc2ccccc2)nc1=O 1151953307 YNOQPZAJZSOJCF-UHFFFAOYSA-N 313.361 -0.244 30 20 DBED C#CCN1CCC(C(=O)NCCNCC(=O)NCCC)CC1 1152330796 VFDMGWDKQYQSTA-UHFFFAOYSA-N 308.426 -0.436 30 20 DBED C=CCNC(=O)CN(CC)[C@H](C)CNC(=O)[C@@H](C)CC(N)=O 1154595688 DZNLGIHOKLLCPB-NWDGAFQWSA-N 312.414 -0.373 30 20 DBED C#CCNC(=O)CN(C)C[C@H]1CCCCN1C(=O)c1cnon1 1158624442 CNCRONFWOXVPMW-GFCCVEGCSA-N 319.365 -0.255 30 20 DBED C=CCOCCNCCCNC(=O)[C@@H]1CCS(=O)(=O)C1 1162050597 WJJPUYHUUJYAQB-GFCCVEGCSA-N 304.412 -0.280 30 20 DBED C#CCN1CCC(CNC(=O)[C@H]2CCCNC2=O)(COC)CC1 1162306735 UYIIPLJDPOJREB-AWEZNQCLSA-N 321.421 -0.009 30 20 DBED C=C(C)CCNCCCNC(=O)c1cn(C)c(=O)n(C)c1=O 1167552023 CIEUXDCFHYLFBA-UHFFFAOYSA-N 308.382 -0.240 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1ccc(C(N)=O)s1 1168296013 MWSFIJUDZKGXPR-UHFFFAOYSA-N 322.390 -0.694 30 20 DBED C#CCNC(=O)CNCCCC[C@@H](C)NC(=O)[C@H](C)NC(C)=O 1168992105 JGZBONNUUVUJJE-OLZOCXBDSA-N 324.425 -0.475 30 20 DBED C[C@H](CCCCNCC(=O)NCC#N)NC(=O)c1cn(C)nn1 1170608889 SFLJADGJJLPNJL-LLVKDONJSA-N 321.385 -0.667 30 20 DBED C#CCNC(=O)CNCCCC[C@H](C)NC(=O)Cn1nccn1 1170997896 LSJQWOCLGYWYIP-ZDUSSCGKSA-N 320.397 -0.708 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)C(C)(C)c1cnc[nH]1 1171257744 ATMOMDUKPWYIPD-GFCCVEGCSA-N 319.409 -0.079 30 20 DBED C[C@@H](CCCCNCC(=O)NCC#N)NC(=O)[C@@H]1CCN(C)C1 1176563945 IJOVFDRBBSTLLT-UONOGXRCSA-N 323.441 -0.158 30 20 DBED CC#CCN1CC(O)(CN(Cc2ccccc2)C(=O)C(N)=O)C1 1177547368 ZCGAJZDPCMBSDT-UHFFFAOYSA-N 315.373 -0.430 30 20 DBED C#CCCNC[C@H]1C[C@H]2CC[C@H]1N(C(=O)Cn1ncnn1)C2 1177756697 GBXQWFVCMWIAKO-MGPQQGTHSA-N 302.382 -0.087 30 20 DBED COCC#CCN[C@H]1CCN(C(=O)c2cnn(C)c2N)[C@H]1C 1178525625 QCCPSPLMWBTADP-AAEUAGOBSA-N 305.382 -0.155 30 20 DBED C=CCN(CC=C)C(=O)CN[C@H]1CCN(C(=O)C(N)=O)[C@H]1C 1179451669 DEZYNCWEBLBIOE-RYUDHWBXSA-N 308.382 -0.749 30 20 DBED C[C@H](N[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1)C(=O)NC(N)=O 1181906752 LSXAMXDUBUMFNV-WCBMZHEXSA-N 318.337 -0.726 30 20 DBED CCn1cnc(C(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)c1 1187127488 VUZULLSRIRYZMW-LLVKDONJSA-N 304.354 -0.653 30 20 DBED CN1CCC[C@H]1C(=O)N1CC[C@H]2CN(CC(=O)NCC#N)C[C@H]21 1187326076 ISJAWGWJTJWTKQ-MELADBBJSA-N 319.409 -0.747 30 20 DBED N#CCNC(=O)CN[C@@H]1CCN(C(=O)c2cnn3cc[nH]c23)C1 1187384072 DUWXNIKIUGHPQY-SNVBAGLBSA-N 315.337 -0.894 30 20 DBED CC(C)OCCC(=O)N1CC[C@@H](N(C)CC(=O)NCC#N)C1 1188982547 KVCQLGPAFKTOFE-CYBMUJFWSA-N 310.398 -0.026 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2cncnc2O)C1 1190837685 SAIKOJYMUMSREB-LLVKDONJSA-N 319.365 -0.369 30 20 DBED COCC#CCN(C)[C@@H]1CCN(C(=O)c2nnc(O)nc2O)C1 1191162932 QUORZGPHIJEGAQ-SNVBAGLBSA-N 321.337 -0.921 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)CC(F)(F)F)C1 1191492351 PDRHBKPVWMGLMT-IVZWLZJFSA-N 321.299 -0.762 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2cnc(C)n2C)C1 1191958775 JAVJKNNTYPQBPQ-CYBMUJFWSA-N 317.393 -0.376 30 20 DBED Cc1ccn(CC(=O)N2CC[C@@H](N(C)CC(=O)NCC#N)C2)n1 1192406711 MZCADGVNQPIRPG-CYBMUJFWSA-N 318.381 -0.636 30 20 DBED C=C(C)C[C@@H](C)C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[nH]2)C[C@H]1O 1195531695 HRWIUMHMYAUOLD-IJLUTSLNSA-N 323.397 -0.628 30 20 DBED COCC#CCNC1CCN(C(=O)C[C@H](C)NC(N)=O)CC1 1200564403 XESCJEUWZODXMK-LBPRGKRZSA-N 310.398 -0.336 30 20 DBED C#CCCNC[C@H]1CN(C(=O)CS(=O)(=O)CC)CCCO1 1202164463 NKOSTQBDWWBGME-ZDUSSCGKSA-N 316.423 -0.349 30 20 DBED CCCC(=O)NCC(=O)N1CCC[C@H](NCC(=O)NCC#N)C1 1207567292 YVGQECTWLCNQBB-LBPRGKRZSA-N 323.397 -0.877 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)C(=O)NCC2CC2)[C@H](C)C1 1209814872 CELJGFCMXILKMH-DGCLKSJQSA-N 322.409 -0.749 30 20 DBED CC#CCN[C@@H]1CCCN(C(=O)CCCN2C(=O)CNC2=O)C1 1211015384 SMPICGFJZUEHFD-CYBMUJFWSA-N 320.393 -0.078 30 20 DBED COCC#CCN[C@H]1CCCN(C(=O)c2cn(C)c(=O)n2C)C1 1211301269 HXWNMSUNDLJCHX-ZDUSSCGKSA-N 320.393 -0.432 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)c2cocn2)[C@H](OC)C1 1212017781 SEJZERGRROETBV-NQBHXWOUSA-N 320.349 -0.759 30 20 DBED C=CCOCCN1C[C@@H](NC(=O)[C@H]2CCC(=O)N2)[C@H](OC)C1 1212018061 YKNUQUNGWZNOEQ-JHJVBQTASA-N 311.382 -0.717 30 20 DBED C=C(C)CN1C[C@@H](NC(=O)CCCS(N)(=O)=O)[C@H](OC)C1 1213354951 ALNWGROZIXYZKT-VXGBXAGGSA-N 319.427 -0.553 30 20 DBED C=CCCN1C[C@@H](NC(=O)CCCS(N)(=O)=O)[C@H](OC)C1 1213357437 VXBIYCJIGJESTN-VXGBXAGGSA-N 319.427 -0.553 30 20 DBED C=CCCOCC(=O)N1C[C@@H](NCc2nnnn2C)[C@H](C)C1 1216913305 GVUBPHNZWRSDAR-VXGBXAGGSA-N 308.386 -0.261 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](NC(=O)[C@H](C)S(C)(=O)=O)C1 1219886445 DQIDBGJCJKUJGE-TUAOUCFPSA-N 304.412 -0.453 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@@H]2CN(C(=O)COCC)[C@@H]2C1 1221248806 LZQYHCSXJAFYSK-BFHYXJOUSA-N 307.394 -0.307 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@@H]1CN(C)C(=O)C1=COCCO1 1230654185 LVKBWQCQGKTHSN-QWHCGFSZSA-N 321.377 -0.455 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@H]1CN(C)C(=O)c1cn[nH]c1 1230844424 KXDARUXUWKZQHP-AAEUAGOBSA-N 303.366 -0.306 30 20 DBED C=CCOCC(=O)N(C)C[C@@H]1CCN1CC(=O)NC(=O)NC 1231232648 FOOSKJSDGIUJLO-NSHDSACASA-N 312.370 -0.823 30 20 DBED CN(C[C@H]1CCN1CC#N)C(=O)CCCN1C(=O)CCC1=O 1235024051 MCWFBHGHURJIHW-GFCCVEGCSA-N 306.366 -0.028 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(CCOC(=O)N(C)C)c1=O 1254582624 PKJKUDLYCXQBQL-UHFFFAOYSA-N 324.337 -0.758 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)c2[nH]cnc2CC)C1 1266356115 QXGITZOIRGHMRW-LLVKDONJSA-N 303.366 -0.474 30 20 DBED COC(=O)[C@H](NC(=O)CCN/C(O)=C1\N=CC=CC1=O)C1CC1 1319474993 OGWDSHCHLQLTLT-VEOJIXDASA-N 321.333 -0.029 30 20 DBED C=CCN(C)C(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1 1320776568 YEHQRLGHSJHPGS-UHFFFAOYSA-N 301.324 -0.699 30 20 DBED C#CCOCCNC(=O)C(=O)N[C@H]1CCC[C@@H](C(=O)N(C)C)C1 1323259526 AJKOSWCDTBCVRU-OLZOCXBDSA-N 323.393 -0.484 30 20 DBED C[C@](O)(CNC(=O)C(=O)Nc1cnn(CC#N)c1)C(F)(F)F 1324520911 PXKCHWUUPWGPCJ-JTQLQIEISA-N 319.243 -0.225 30 20 DBED C#CCSCCNC(=O)C(=O)NCCC1(C)OCCO1 1324662360 BOKITCBBKKSBMH-UHFFFAOYSA-N 300.380 -0.262 30 20 DBED C#C[C@H](C)N(C)C(=O)C(=O)Nc1ncn(CC(=O)OCC)n1 1325950027 ZYMPQQHONURKCC-VIFPVBQESA-N 307.310 -0.740 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCc1cn(C)nn1 1326603503 MCCPJTFHCRTJCX-PWSUYJOCSA-N 307.354 -0.471 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CC(=O)N[C@@H]2CCCC[C@@H]21 1327249517 ZQCIUNHQCZPASR-UTUOFQBUSA-N 309.366 -0.427 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCC[C@H](OCCO)C1)[C@@H]1CCCO1 1327259728 VCAMLYKIIYNNCW-IHRRRGAJSA-N 324.377 -0.717 30 20 DBED C#CCCN(CCOC)C(=O)NCC1CN(S(C)(=O)=O)C1 1328600047 CHJDYNIXRGBMMQ-UHFFFAOYSA-N 317.411 -0.441 30 20 DBED N#Cc1cccc(NC(=O)C(=O)N2C[C@@H](CO)[C@H](CO)C2)c1 1329122421 DEPPJWHTQCCDGW-RYUDHWBXSA-N 303.318 -0.444 30 20 DBED C#C[C@H](NC(=O)C(=O)NC[C@@]1(OC)CCOC1)[C@H]1CCCO1 1329834125 LZDMZAQWCRJHDS-ZOWXZIJZSA-N 310.350 -0.795 30 20 DBED C=C[C@H](CO)NC(=O)C(=O)Nc1ccc2c(c1)S(=O)(=O)CC2 1330495526 JWMHYUCFJIJIJN-SNVBAGLBSA-N 324.358 -0.382 30 20 DBED N#CC[C@@H]1CCCN(C(=O)NCCOCCS(N)(=O)=O)C1 1330702262 BMPHLARGMYLYSA-NSHDSACASA-N 318.399 -0.373 30 20 DBED C[C@@H]1CCN1C(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1331522883 YEFZCGOHLUACEI-JFJDQEMCSA-N 306.322 -0.750 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N1CCC(NC(C)=O)CC1 1331528731 ONRPGVTUDHOBJN-ZDUSSCGKSA-N 323.393 -0.342 30 20 DBED C=C(C)COCCn1nnnc1N1CC(=O)N(CCOC)C1 1334215943 LZFITIGKEHKEFL-UHFFFAOYSA-N 310.358 -0.482 30 20 DBED C#CCN(C)c1nnc(CCCS(N)(=O)=O)n1CC1CC1 1345356709 HXPMYHKPAPLECF-UHFFFAOYSA-N 311.411 -0.021 30 20 DBED C=CCOCCNC(=O)C(=O)N[C@H]1C[C@H]2CCCCN2C1=O 1350858541 DSEHFHNRVJROPG-NEPJUHHUSA-N 309.366 -0.425 30 20 DBED C=CCOCCn1nnnc1N1CCC(C(=O)NOC)CC1 1355629590 QPLAYVAHUHITDB-UHFFFAOYSA-N 310.358 -0.230 30 20 DBED CC(=O)N1CCC(NC(=O)CN2CC[C@@](O)(CC#N)C2)CC1 1364456979 RACKUNXKDQTROI-HNNXBMFYSA-N 308.382 -0.536 30 20 DBED CC(=O)NC[C@@H]1CCCN(c2[nH]c(=O)n(C)c(=O)c2C#N)C1 1364539381 USHAKDNXYOFZQT-JTQLQIEISA-N 305.338 -0.702 30 20 DBED C[C@H](C#N)C(=O)N1CCC(O)(CN[C@H](C)C(=O)NC2CC2)CC1 1368678600 KMDKZHXDONFLPD-VXGBXAGGSA-N 322.409 -0.244 30 20 DBED CCN(CCC#N)C(=O)CN[C@@H]1CCN(C(=O)COC)[C@@H]1C 1369395341 YVOVLSANBBMDRF-CHWSQXEVSA-N 310.398 -0.026 30 20 DBED CC(=O)NCC(=O)NC[C@H](NC(=O)c1cc(C#N)c[nH]1)C1CC1 1372348962 TVJUZAFSIZYERS-ZDUSSCGKSA-N 317.349 -0.353 30 20 DBED CCNC(=O)NC(=O)[C@@H](C)N(CCNC(=O)[C@@H](C)C#N)C1CC1 1377517250 JOPINUIHWIWPOY-WDEREUQCSA-N 323.397 -0.039 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)c2cccc(=O)n2C)CC1 1379112086 WVWRFBZLEDBWLL-JTQLQIEISA-N 302.334 -0.076 30 20 DBED Cc1nc(CCn2c(C)nnc2N2CCO[C@@H](C#N)C2)n[nH]1 1381600593 QPRCHPOEEJZZJF-NSHDSACASA-N 302.342 -0.015 30 20 DBED CC(C)S(=O)(=O)CC(=O)N1CC(CNC(=O)[C@@H](C)C#N)C1 1389922669 KMYABVXNHQYJBC-JTQLQIEISA-N 315.395 -0.456 30 20 DBED C[C@H](CN(C)C(=O)c1ccc(C(N)=O)cn1)NC(=O)[C@H](C)C#N 1395601859 BFAYKGFVRZJADI-NXEZZACHSA-N 317.349 -0.083 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)[C@@H](C)CS(C)(=O)=O)C1 1397223058 ZCKUPCNFDRFSSU-NAKRPEOUSA-N 315.395 -0.410 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H](O)CNC(=O)c2cccnc2)c1 1410025023 GYSOOOFTRGLOEW-GFCCVEGCSA-N 313.317 -0.198 30 20 DBED CCO[C@H](C)C(=O)NC[C@@H](O)CNC(=O)c1cc(C#N)c[nH]1 1410054144 KGKNIFQDHBQOQN-MWLCHTKSSA-N 308.338 -0.482 30 20 DBED C[C@H](CNC(=O)[C@H]1CCC(=O)N1)N(C)C(=O)c1c[nH]c(C#N)c1 1411512509 VIBJEATUFZAKOT-BXKDBHETSA-N 317.349 -0.258 30 20 DBED CCN(CCNC(=O)[C@H]1CCC(=O)N1)C(=O)c1c[nH]c(C#N)c1 1415649512 SKIUVTMBQWPQFE-GFCCVEGCSA-N 317.349 -0.257 30 20 DBED CCCNC(=O)[C@@H](C)N1CCN(CCNC(=O)[C@@H](C)C#N)CC1 1419134455 UAQCDAQUBSQFBW-UONOGXRCSA-N 323.441 -0.205 30 20 DBED C[C@@H](C#N)C(=O)N1CCCO[C@@H](CNC(=O)Cc2ncc[nH]2)C1 1426302258 OWEJGWSTMDVZFS-RYUDHWBXSA-N 319.365 -0.154 30 20 DBED C[C@H](C#N)C(=O)NCCN(C)C(=O)[C@@H]1CCCS1(=O)=O 1429456530 YVNUEFPMGUNBOC-ZJUUUORDSA-N 301.368 -0.702 30 20 DBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H](C)CC(N)=O 1433807137 HSCFNKOVFXMINQ-MNOVXSKESA-N 316.365 -0.103 30 20 DBED CCCN1CCC[C@H]1C(=O)NCCn1cc(C#N)c(O)nc1=O 1434207895 PBLZVYHSQQTAFD-LBPRGKRZSA-N 319.365 -0.189 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N[C@@H](C(N)=O)c1ccccn1 1434575817 MYHMZTOHNNZPBC-GXSJLCMTSA-N 311.367 -0.324 30 20 DBED C=CCNC(=O)[C@@H](C)OC(=O)[C@@]1(OC)CCS(=O)(=O)C1 1514885771 RGVCPHFSBMOSCU-BXKDBHETSA-N 305.352 -0.576 30 20 DBED C=CCCC[C@@H](N)C(=O)N1CCCN(C(=O)CNC(C)=O)CC1 1522195494 HZKXXBXKPJRAAH-CQSZACIVSA-N 324.425 -0.133 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCCN1C(=O)NC(C)(C)C1=O 1522494582 MTEZQFSHFHHLBD-LBPRGKRZSA-N 320.393 -0.079 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)NCCN2CCC3(C2)OCCO3)C1 1548656300 IAWGOTKJESKSGX-CQSZACIVSA-N 324.381 -0.505 30 20 DBED N#Cc1cn(CC(=O)N2CCC[C@H]2CC(=O)O)c(=O)nc1O 1571092126 OVDAWKJEDQVMNS-VIFPVBQESA-N 306.278 -0.714 30 20 DBED C=C(C)CNC[C@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 1588429048 MQWVVYWVBRYBGH-NSHDSACASA-N 319.369 -0.207 30 20 DBED C#CCCN(CCOC)C(=O)CN1CCC[C@@H](C(=O)O)C1=O 1588447770 PUBHJFGWDPQSNW-GFCCVEGCSA-N 310.350 -0.192 30 20 DBED CC(C)[C@H](C(=O)O)C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1588816133 LPKYDAGCGWYCNI-JTQLQIEISA-N 320.305 -0.439 30 20 DBED Cc1nsc(NC(=O)NCC(=O)NCC#N)c1-c1nn[nH]n1 1592481326 LTADGJAGSMUBFA-UHFFFAOYSA-N 321.326 -0.607 30 20 DBED Cn1cccc(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[nH]2)c1=O 1592581746 HLUVBVMYFJKBAI-UHFFFAOYSA-N 311.265 -0.588 30 20 DBED O=S(=O)(Cc1csc(-c2nn[nH]n2)c1)O[C@H]1CNOC1 1593428763 DNLIWJRPMLWDCJ-ZETCQYMHSA-N 317.352 -0.322 30 20 DBED C[C@@](C#N)(CC(=O)O)C(=O)NCC1(OCCO)CCOCC1 1602780846 ONZCYJAEFRNSBB-ZDUSSCGKSA-N 314.338 -0.335 30 20 DBED CC#CCN1C[C@H]2[C@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)[C@H]2C1 1602898988 UVZWVBCTCOCHPI-IWIIMEHWSA-N 311.349 -0.122 30 20 DBED N#Cc1cn(C2CN(C(=O)[C@H](C(=O)O)C3CC3)C2)c(=O)nc1O 1605623123 VXCVJIURWNFNAK-SNVBAGLBSA-N 318.289 -0.685 30 20 DBED Cc1onc(CC(=O)N2CCO[C@@](C)(C#N)C2)c1-c1nn[nH]n1 1606179885 MHLIIXUFSVQMBM-ZDUSSCGKSA-N 317.309 -0.153 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)c2coc(OC)n2)C1 1698552384 HMRXISNPLJSXBQ-SNVBAGLBSA-N 306.322 -0.763 30 20 DBED C#CCN1CCN(CCCNC(=O)C[C@@H]2CCC(=O)N2)CC1 1752351719 ADUHSPXTHCWJCQ-AWEZNQCLSA-N 306.410 -0.588 30 20 DBED N#CCNC(=O)CN1CC[C@H](NC(=O)CCOCC2CC2)C1 1752387953 PAUSQBDZJZRYQW-ZDUSSCGKSA-N 308.382 -0.367 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCCN(C(=O)c2csnn2)C1 1752995448 UMYRFHZTNZNHFH-LLVKDONJSA-N 321.406 -0.176 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)C[C@@H]1CCN(C(=O)CCOC)C1 1753347391 ZYTNRFVNGNBPBG-KGLIPLIRSA-N 309.410 -0.059 30 20 DBED CN(CC(=O)NCC#N)C[C@H]1CCN(C(=O)c2cnsn2)C1 1753357519 YTBSVAKFBJQLBL-SNVBAGLBSA-N 322.394 -0.428 30 20 DBED C#CCNC(=O)CN1CC[C@@H](N(C)C(=O)c2ccnc(C)n2)C1 1753449886 NLLLBTQOPCKNMN-CYBMUJFWSA-N 315.377 -0.319 30 20 DBED C[C@@H](CNCC(=O)NCC#N)N(C)C(=O)[C@]1(F)CCOC1 1753709495 ZLOCDLATQVJIAW-GWCFXTLKSA-N 300.334 -0.809 30 20 DBED C=CCNC(=O)[C@@H](C)N(C)CCN(C)C(=O)c1cnn(C)c1N 1753851922 VKNURSUZKGDTJQ-LLVKDONJSA-N 322.413 -0.303 30 20 DBED C=C(C)CCNC[C@H](C)NC(=O)c1cn(C)c(=O)n(C)c1=O 1754285739 JUEMBAGRAMKVLH-NSHDSACASA-N 308.382 -0.242 30 20 DBED CNC(=O)NC(=O)CNC[C@]1(C)CCN(C(=O)C#CC(C)C)C1 1754694799 IPMAFIGKCNOAGG-INIZCTEOSA-N 322.409 -0.070 30 20 DBED C=CCN1CC[C@@](O)(CNC(=O)c2cnn(CCOC)c2)C1 1754761462 WTIUFEAXWPTPNX-OAHLLOKOSA-N 308.382 -0.118 30 20 DBED CC#CCN1CC(O)(CNC(=O)COCc2ccnc(O)c2)C1 1754769966 RVMRIEMHQQCNDY-UHFFFAOYSA-N 319.361 -0.510 30 20 DBED CC#CCNCCN(CCO)C(=O)[C@]1(C)CCCS1(=O)=O 1754893636 BOFYZJKSEQRJNN-AWEZNQCLSA-N 316.423 -0.613 30 20 DBED CC#CCN[C@]1(CO)CCCN(C(=O)CCCC(=O)NC)C1 1755084670 QJSIVVYMXQUVSR-MRXNPFEDSA-N 309.410 -0.131 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@H](C)N(C)CCN1CCNC1=O 1755298991 PNYCFAYIMKXRFC-DOMZBBRYSA-N 312.414 -0.225 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H](CO)CNC(=O)c1c(C)ncn1C 1755632570 VGDFEZFPDOTYBB-NWDGAFQWSA-N 323.397 -0.900 30 20 DBED C[C@H]1[C@H](NC(=O)[C@@H]2[C@H]3COC[C@H]32)CCCN1CC(=O)NCC#N 1755716377 MAOSSVGEBFGSJJ-RLPMIEJPSA-N 320.393 -0.512 30 20 DBED CCn1cccc1C(=O)N[C@H](CO)CNC(=O)CSCC#N 1756503373 GPZLASMDVPXMJC-NSHDSACASA-N 324.406 -0.028 30 20 DBED C#CCCCC(=O)NC[C@@H](CO)NC(=O)c1ccn(CC)n1 1756515725 OLWCKPJHZXHPDO-LBPRGKRZSA-N 306.366 -0.087 30 20 DBED CC(C)(C)C#CC(=O)NC[C@@H](CO)NC(=O)COCC(F)F 1756520203 WMYLNUNYSKVZNX-JTQLQIEISA-N 320.336 -0.089 30 20 DBED CCN(C)CCC(=O)NC[C@H](CO)NC(=O)C#CC(C)(C)C 1756567621 HEMSBYKLVRQVBV-CYBMUJFWSA-N 311.426 -0.029 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1C[C@@H](CNC(=O)CC(C)(C)O)C1 1757317315 NOKFXTMZYSQOIB-TXEJJXNPSA-N 323.393 -0.702 30 20 DBED CC(C)(C#N)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](N)CN)C2 1792705414 CFBCWZRRENXXOP-USZNOCQGSA-N 307.398 -0.540 30 20 DBED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)C 1795187679 OPXXAATYEUDUQQ-YWVIFJGQSA-N 307.394 -0.449 30 20 DBED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)CC)C2)C1 1840175045 DHQBGFWDQGPSOV-MRXNPFEDSA-N 324.377 -0.002 30 20 DBED C[C@H](S)C(=O)N1CC2(CCCN2C(=O)CNC(N)=O)C1 1847108939 ZARPVYBHCINJFR-QMMMGPOBSA-N 300.384 -0.824 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)CC 1847488632 KJTBYIMRIOUWBD-ZOBORPQBSA-N 308.378 -0.003 30 20 DBED C#CC[C@@H](C)OC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 83790361 TZJPEHBYSXYXPE-SECBINFHSA-N 304.306 -0.611 30 20 DBED Cn1cc(C#N)c(=O)n(CC(=O)N(CC#N)c2ccccc2)c1=O 134716373 AULILAAWYCDHCQ-UHFFFAOYSA-N 323.312 -0.025 30 20 DBED N#CCCN(CCN1CCOCC1)C(=O)[C@@H]1CCNC(=O)C1 151631011 GUHWZDDINCFWDW-CYBMUJFWSA-N 308.382 -0.413 30 20 DBED Cn1c(NCCN2CCOC(C)(C)C2)c(C#N)c(=O)n(C)c1=O 170640461 UVZWPMWLXWGQCD-UHFFFAOYSA-N 321.381 -0.522 30 20 DBED CN(C)CC(=O)N1CCN(S(=O)(=O)CC2(C#N)CC2)CC1 180406960 LCANXUMZGFKLPQ-UHFFFAOYSA-N 314.411 -0.674 30 20 DBED C=CCNC(=O)NC(=O)CN1CCN(CC(C)(C)O)[C@H](C)C1 189887203 ZYSTUEHDHIIXIZ-GFCCVEGCSA-N 312.414 -0.225 30 20 DBED Cn1c(N2C[C@@H]3C[C@H]4C[C@H]3[C@@H]2[C@@H]4O)c(C#N)c(=O)n(C)c1=O 249403462 CJAINDWHMITZCL-LMZXYNMPSA-N 302.334 -0.839 30 20 DBED C/N=C(/NCC(=O)N(C)C)N1CCN(c2ccccn2)CC1 262604412 ZKNBBCLXFBCHLN-UHFFFAOYSA-N 304.398 -0.133 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@](C)(C#N)CSC)C1=O 289832514 DCFMVTZBOIMQGJ-CYBMUJFWSA-N 324.362 -0.275 30 20 DBED N#CCCCC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 290972031 OWZFLSMEWGVMAT-UHFFFAOYSA-N 322.365 -0.790 30 20 DBED C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)NCC#CCO)C2=O 294377501 UQKMOPRMNDQTIG-ABAIWWIYSA-N 307.350 -0.401 30 20 DBED CC(=O)N1CCN(/C(O)=N/C[C@@H]2CN(C)CCN2C)[C@@H](C)C1 330094964 UQAGWCWOARIRIK-GXTWGEPZSA-N 311.430 -0.301 30 20 DBED C[C@H]1C[C@@H](C)C[C@]2(C1)NC(=O)N(CC(=O)NCC#CCO)C2=O 331671500 PXKRKFUEWZCYEM-DRXBFXEBSA-N 321.377 -0.155 30 20 DBED N#C[C@H]1CN(S(=O)(=O)N[C@@H](C(N)=O)c2ccccc2)CCO1 336907547 FYQLVYAPAJGDPK-NWDGAFQWSA-N 324.362 -0.728 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N[C@H](CO)C1CCOCC1 337781944 UJKXSIAXWKGTES-CMPLNLGQSA-N 305.400 -0.158 30 20 DBED C=CCCOCCNC(=O)C(=O)N1CCC[C@@H]2C(=O)NC[C@H]21 342029280 ZJRFFRWNEDQLQM-NWDGAFQWSA-N 309.366 -0.568 30 20 DBED C[C@@]1(O)CCCN(C(=O)C(=O)Nc2ccn(CCC#N)n2)C1 346854101 JMPDUEQWKBQNAO-CQSZACIVSA-N 305.338 0.109 30 20 DBED Cc1nc(S(=O)(=O)NCC(=O)N(C)[C@H](C)CC#N)cn1C 349436135 ZUVSNCZTASVNDD-SECBINFHSA-N 313.383 -0.233 30 20 DBED CNS(=O)(=O)CCNC(=O)NCCc1cccc(C#N)c1 351652204 QRACUCAHLXVDCY-UHFFFAOYSA-N 310.379 -0.051 30 20 DBED C=CCOC[C@@H](NC(=O)[C@@H]1CCc2nncn2C1)C(=O)OC 352598763 YYVFDQAZJMHVHB-GHMZBOCLSA-N 308.338 -0.299 30 20 DBED Cc1cc(NC(=O)C(=O)NC[C@@H](CO)C(C)C)nn1CCC#N 357534451 IXBAFRYUNFDZED-LBPRGKRZSA-N 321.381 0.424 30 20 DBED C=CCOC[C@@H]1NC(=O)N(CC2CN(S(C)(=O)=O)C2)C1=O 359192462 WHQLTUIMKZVDPE-JTQLQIEISA-N 317.367 -0.999 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@H]2CC(F)(F)CN2)CC1 360820667 VZVPQDSEFRHHRQ-LLVKDONJSA-N 316.352 -0.570 30 20 DBED CCN(CCCNS(=O)(=O)CC1(C#N)CC1)S(C)(=O)=O 361499171 PLOXURQYYXHMCB-UHFFFAOYSA-N 323.440 -0.119 30 20 DBED CCN(CC(=O)NC(C)C)C(=O)Cn1cnc(C#N)c1C#N 361783276 VLMVYTHWPAWWMT-UHFFFAOYSA-N 302.338 0.000 30 20 DBED N#C[C@H]1N(CC(=O)N2CCNC(=O)C2)CCC[C@]12CCCCO2 366073837 PWQISOOKPPPFIN-CZUORRHYSA-N 320.393 -0.128 30 20 DBED Cc1nn(C)c(N2CCN(C(=O)CCCC(N)=O)CC2)c1C#N 427229419 ININZIXKCOJYRP-UHFFFAOYSA-N 318.381 -0.096 30 20 DBED N#Cc1ccc(S(=O)(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)s1 435421966 JXOCVSWMYDMXHY-APPZFPTMSA-N 315.376 -0.069 30 20 DBED C=C(C)CN(C)C(=O)C(=O)N1CCN(CC(=O)NC2CC2)CC1 459889316 YCAXTNGNWSOUPJ-UHFFFAOYSA-N 322.409 -0.556 30 20 DBED C#CCNC(=O)C1CCN(CCC(=O)N2CCOCC2)CC1 491068324 OABNBTIGTCDNOR-UHFFFAOYSA-N 307.394 -0.303 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)C2(O)CCCCC2)CC1 491693122 SQNNVIYPKHZZJP-UHFFFAOYSA-N 307.394 -0.425 30 20 DBED COC(=O)Cn1cc(CNC(=O)c2ccc(C#N)cn2)nn1 533535522 UHIXMTOFBIIEMQ-UHFFFAOYSA-N 300.278 -0.352 30 20 DBED C[C@H]1CO[C@H](C)CN1C(=O)C(=O)NC1CCN(CC#N)CC1 588128968 VSCAYFKCLIYBJC-NWDGAFQWSA-N 308.382 -0.274 30 20 DBED CN1CCC(N2CC[C@@H](NC[C@H](O)CN(C)CCC#N)C2)CC1 591736937 PBEXYXLQIXUHND-WBVHZDCISA-N 323.485 -0.049 30 20 DBED C[C@H](C(=O)N(C)CC(=O)N1CC[C@@](O)(CC#N)C1)n1cccn1 592843801 UQOPAVKNXQGTPK-DOMZBBRYSA-N 319.365 -0.220 30 20 DBED CNS(=O)(=O)N1CCN(C(=O)c2cc(O)cc(C#N)c2)CC1 593692637 YONULLYNUAMBPW-UHFFFAOYSA-N 324.362 -0.514 30 20 DBED CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)CNc1ccc(C#N)cc1 598024336 AJQIBXMQJGWXBB-STQMWFEESA-N 323.374 -0.102 30 20 DBED C[C@@H](C(=O)N(CCC#N)CCN1CCOCC1)[C@@H]1CCC(=O)N1 599230254 OEJPHAPOCHVOMA-KGLIPLIRSA-N 322.409 -0.024 30 20 DBED C[C@@H]1[C@H](N(C)C)CCN1S(=O)(=O)N1CCO[C@H](C#N)C1 601422158 PDMZJQMAONUDJA-IJLUTSLNSA-N 302.400 -0.520 30 20 DBED CN(CC1=CCSC1)C(=O)Cn1cc(C#N)c(O)nc1=O 602184242 CRARBCIFVKIVMZ-UHFFFAOYSA-N 306.347 -0.048 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCCC[C@@H]1CNS(N)(=O)=O 615941137 NEJPGHUKDDYSRY-ZYHUDNBSSA-N 305.400 -0.512 30 20 DBED C=C(Br)COC(=O)CN1C(=O)C(=O)N(C)C1=O 733566264 AMJIOKWALBBZTB-UHFFFAOYSA-N 305.084 -0.141 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)OCCOCC2CC2)C1=O 744919351 UXQAQYXOUDDQBZ-UHFFFAOYSA-N 310.306 -0.067 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1cccc(=O)n1C 757747146 JORFHQDJACCVHF-SECBINFHSA-N 307.306 -0.058 30 20 DBED C#CCNC(=S)NCCS(=O)(=O)NC[C@@H]1CCCCO1 758227998 CRTDXUWATINXJQ-NSHDSACASA-N 319.452 -0.428 30 20 DBED CN(C)c1ccc2c(c1)NC(=O)C2=NNC(=S)NCC(N)=O 761817483 RCDXTMQBDKPSCU-UHFFFAOYSA-N 320.378 -0.642 30 20 DBED Cn1cc(NN=Cc2nc3c(c(O)nc(=O)n3C)n2C)cn1 761869251 MAUFXJRJDYZHIL-UHFFFAOYSA-N 302.298 -0.448 30 20 DBED C=CCS(=O)(=O)CCN1C(=O)[C@H](COCC)N(C)C1=O 762297160 PHFKZYUEOVSZPN-JTQLQIEISA-N 304.368 -0.114 30 20 DBED C=CCS(=O)(=O)CCNC(=O)NCc1nnnn1C1CC1 783003763 DBKXARFIACSBJO-UHFFFAOYSA-N 314.371 -0.592 30 20 DBED C#CCC[C@H](O)CNC(=O)N[C@H]1CCc2nc(COC)nn2C1 798435848 BEKHYFDYWVUGFU-RYUDHWBXSA-N 321.381 -0.187 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@@H](CCO)C1CC1 800060492 SFQQSANIQWCSCD-LBPRGKRZSA-N 305.400 -0.156 30 20 DBED COCCN(CCC(=O)OC)S(=O)(=O)N(C)[C@@H](C)CC#N 800913173 HVWIBNWOMFNRRU-NSHDSACASA-N 321.399 -0.023 30 20 DBED C#CCCS(=O)(=O)NCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 808301186 JMAGVOUBGQOAAQ-CYDGBPFRSA-N 322.386 -0.264 30 20 DBED C#C[C@H](NC(=O)CNS(=O)(=O)c1cccnc1)[C@@H]1CCCO1 811185441 LPAFYLVQJYOLGX-STQMWFEESA-N 323.374 -0.343 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](CCC)OC)CC1 831574692 MQORKSTUVUVCGS-LBPRGKRZSA-N 317.411 -0.587 30 20 DBED C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N1C[C@H](O)[C@@H](O)C1 861985043 AUHKHJGDLKFMEM-DLOVCJGASA-N 319.317 -0.520 30 20 DBED C#CCOc1ccc(F)cc1NC(=O)C(=O)N[C@H]1COC[C@H]1O 873977833 RUMITBHLCKTGPQ-NWDGAFQWSA-N 322.292 -0.348 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N1CCC2(C1)OCCO2 875597412 CYOAGZSCIPGJTL-GFCCVEGCSA-N 310.350 -0.494 30 20 DBED CC[C@H](CN1CCOCC1)Nc1c(C#N)c(=O)n(C)c(=O)n1C 895800889 JFRUBYBMEMYKDZ-LLVKDONJSA-N 321.381 -0.522 30 20 DBED COC/C=C\C(=O)N1CCN(C(=O)/C=C\COC)[C@H](C#N)C1 912536872 UZVSCDXSAMSNLZ-LPFHBXDTSA-N 307.350 -0.045 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(C)co2)CC1 913788568 IGJRUMHLLSDNOL-UHFFFAOYSA-N 311.363 -0.187 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)c2cn(CC)nn2)CC1 929567024 CBAMVJJGDHYIGQ-UHFFFAOYSA-N 306.370 -0.642 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](NC(=O)c2nc3ncccn3n2)C1 942254592 CRRRDNKUAQPWCU-NXEZZACHSA-N 313.321 -0.385 30 20 DBED C=CCCn1cc(C(=O)N[C@H]2CCN(CC(N)=O)C[C@@H]2C)nn1 943495061 BUSVESYROWTVIX-RYUDHWBXSA-N 320.397 -0.220 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)[C@@H]1COC(=O)N1)CCO2 949083232 BKQVABZKDIRADG-LBPRGKRZSA-N 307.350 -0.579 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CNC(=O)[C@@H]2CN(C)CCO2)CC1 949391251 UYJIMHZIGHELDW-OCCSQVGLSA-N 322.409 -0.169 30 20 DBED C#CCCN1C[C@@H](O)[C@@H](CNC(=O)c2cnc3n2CCOC3)C1 958151558 JZEYIZCXMZQWMS-GXTWGEPZSA-N 318.377 -0.541 30 20 DBED N#CCN1C[C@@H](O)[C@H](CNC(=O)c2occ3c2CCOC3)C1 958291819 TUUYTYLTASKETB-ZWNOBZJWSA-N 305.334 -0.102 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](CNC(=O)c2cnc(O)n2C)C1 958318685 FXIFBMCVULMLCE-MWLCHTKSSA-N 314.773 -0.099 30 20 DBED CN1CC[C@H](N2C[C@H]3[C@H](NC(=O)c4cc(C#N)c[nH]4)[C@H]3C2)C1=O 958505604 ZAVFBHHWJPHEBA-UZGDPCLZSA-N 313.361 -0.223 30 20 DBED CC#CCN1C[C@H]2C(NC(=O)c3cc(=O)n4[nH]cnc4n3)[C@@H]2C1 962291553 YNNGLNNSTWYXAU-NXEZZACHSA-N 312.333 -0.899 30 20 DBED C=CCn1cc(C(=O)NC2CC(CN[C@H]3CCNC3=O)C2)nn1 962398479 PFUDWQDKWFFBDO-MCIGGMRASA-N 318.381 -0.549 30 20 DBED C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1NC(=O)c1nc[nH]n1 966337784 UZYSFSUJQRKKFU-KCJUWKMLSA-N 313.321 -0.105 30 20 DBED CCN(C(=O)[C@@H]1COCCN1CC)C1CN(C(=O)[C@H](C)C#N)C1 968114093 XWGSAYAEYTVILX-OCCSQVGLSA-N 322.409 -0.074 30 20 DBED N#Cc1cc(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@H]3CC34CC4)C2)c[nH]1 970917949 STUXSFODTSSXMU-UPJWGTAASA-N 314.345 -0.012 30 20 DBED C=C(C)CN1C[C@H]2CC[C@H]1CN2C(=O)Cn1ncn(C)c1=O 971539300 JTXRUDNYPWGWNT-QWHCGFSZSA-N 305.382 -0.167 30 20 DBED CC#CCN1C[C@@H](NC(=O)C[C@@H]2CC(=O)NC2=O)C(C)(C)C1 977677782 IANVFNXWCJUGRX-VXGBXAGGSA-N 305.378 -0.111 30 20 DBED N#CCN1C[C@H]2C(CNC(=O)c3cn4c(n3)COCC4)[C@@H]2C1 978329859 CUXIUWYVOOOWQC-RYUDHWBXSA-N 301.350 -0.156 30 20 DBED C#CCN1C[C@H]2[C@H](CNC(=O)[C@H]3C[C@H](OC)CN3C(C)=O)[C@H]2C1 978527223 QVZHHLAVVGGVCL-RFBLXINOSA-N 319.405 -0.451 30 20 DBED C#CCN1CCCN(C(=O)[C@@H]2CCc3nnnn3CC2)CC1 982003456 WVYMUGLKOKDMGS-CYBMUJFWSA-N 302.382 -0.207 30 20 DBED C#Cc1ccc(C(=O)N2CC(NC(=O)[C@@H]3COC(=O)N3)C2)cc1 991120863 QNHBRWJEGZRVOQ-ZDUSSCGKSA-N 313.313 -0.283 30 20 DBED C#CCN1CCC[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)[C@H]1C 993410500 HDIIVHUSYCUIGA-OLZOCXBDSA-N 318.377 -0.851 30 20 DBED C=CCCn1cc(C(=O)N2C[C@H](NCC(N)=O)C(C)(C)C2)nn1 996398978 MWXOSEDJFXGDCG-LBPRGKRZSA-N 320.397 -0.220 30 20 DBED C#CCN[C@H]1CCCN(C(=O)c2ccc(=O)n(CCOC)n2)C1 999649876 LENQJFVAPXTXLH-ZDUSSCGKSA-N 318.377 -0.283 30 20 DBED C[C@H](C#N)C(=O)N1CC(CNC(=O)[C@@H]2CCCS2(=O)=O)C1 1002280969 UEESIDMERPLWPQ-KOLCDFICSA-N 313.379 -0.702 30 20 DBED CC#CCN1CCC(NC(=O)[C@@H]2CCN(C)S2(=O)=O)CC1 1003774399 DXKBVLKIBVSMFW-ZDUSSCGKSA-N 313.423 -0.376 30 20 DBED C[C@H]1CCN(C(=O)C(N)=O)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 1004730511 FAOWOGFSVOAKIO-GZMMTYOYSA-N 303.322 -0.662 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(CC1)CN(C(=O)C(N)=O)C[C@@H](C)O2 1006778920 QSMMROFAJYATMI-WDEREUQCSA-N 322.365 -0.760 30 20 DBED C#Cc1ccc(C(=O)N2CCN(C(=O)Cn3ncnn3)CC2)cc1 1011177249 XIKHHIWCRICJAP-UHFFFAOYSA-N 324.344 -0.361 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C(=O)c2cccnc2C(N)=O)CC1 1011221157 WJNNSRKEFQMOIR-SNVBAGLBSA-N 315.333 -0.375 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C(N)=O)CC1 1011338879 JWYVHIHNJFJHSS-MNOVXSKESA-N 307.354 -0.640 30 20 DBED C=CC(C)(C)C(=O)N1CCN(C(=O)CN2CCNC(=O)C2)CC1 1011894519 YEMOANMLZIOLKX-UHFFFAOYSA-N 322.409 -0.699 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2CCN(C(=O)C(N)=O)[C@H]2C)c1 1012022299 DGRSJMAYQDTFHQ-JOYOIKCWSA-N 300.318 -0.733 30 20 DBED CC#CCN1CCC2(CC1)C[C@H]2NC(=O)CN1C(=O)CNC1=O 1016964374 JZCFMHZAUKVETD-GFCCVEGCSA-N 318.377 -0.468 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCN(C(=O)c3c[nH]c(=O)cn3)C2)C1 1019363010 KPECRSYUPLYLKD-SNVBAGLBSA-N 315.333 -0.396 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H](NCc3n[nH]c(C)n3)C2)nn1 1019482170 JOYADEDCLKUUAF-NSHDSACASA-N 316.369 -0.105 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCC1CN([C@@H](C)C(=O)N(C)C)C1 1031742344 BOCWJAYSFAKNBW-ZFWWWQNUSA-N 320.437 -0.391 30 20 DBED C#CCN1CCCC[C@@H](NC(=O)CN2CCC(=O)NC2=O)C1 1034475431 YUBKTFIDOJJSLE-GFCCVEGCSA-N 306.366 -0.468 30 20 DBED C#CCN[C@@H]1CCN(C(=O)Cn2nc(C)n(C)c2=O)C[C@H]1CC 1037963991 RVIBQUZYBMDXST-ZIAGYGMSSA-N 319.409 -0.260 30 20 DBED C#CCN1CC[C@H]1CNC(=O)[C@H]1COCCN1CC(F)F 1038552069 GNCZMPQEICNXHN-NWDGAFQWSA-N 301.337 -0.224 30 20 DBED C[C@H]1[C@@H](Nc2ccc(C#N)nn2)CCN1C(=O)[C@H]1COC(=O)N1 1040112208 DDOQOFHTODNOMU-INTQDDNPSA-N 316.321 -0.142 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)C(F)F)C1 1041081507 NKUKIVSBYWPBCD-JTQLQIEISA-N 315.320 -0.961 30 20 DBED C[C@@H](C(=O)N1CC[C@]2(CCN(CC#N)C2)C1)N1C(=O)CCC1=O 1041338760 KUIUBCPPHWTGCN-LRDDRELGSA-N 318.377 -0.028 30 20 DBED C[C@@H]1CN(c2nccnc2C#N)C[C@H]1NC(=O)[C@H]1COCCO1 1041787547 USWUQECFFKVANC-RAIGVLPGSA-N 317.349 -0.295 30 20 DBED N#Cc1c[nH]c(C(=O)NCC2(O)CN(C(=O)C#CC3CC3)C2)c1 1042392275 PFIFZKWFTYJETO-UHFFFAOYSA-N 312.329 -0.397 30 20 DBED C#CCCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCNC2=O)C1 1042661228 QHCYIBBBPBNGQU-GFCCVEGCSA-N 321.377 -0.994 30 20 DBED CCOC1CC(C(=O)NCC2(O)CN(C(=O)C#CC3CC3)C2)C1 1042880900 BMBJQQGBYIIBJA-UHFFFAOYSA-N 320.389 -0.096 30 20 DBED Cc1[nH]nc(C(=O)N2CC(O)(CNC(=O)C#CC(C)C)C2)c1C 1042936175 BPTANRFLFVBANE-UHFFFAOYSA-N 318.377 -0.011 30 20 DBED C=CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)[C@H]2CCCO2)C1 1043567423 CMQMIWQYIADERA-VXGBXAGGSA-N 312.366 -0.554 30 20 DBED C=CCCOCC(=O)NCC1(O)CN(C(=O)c2c[nH]nc2C)C1 1043571289 NCZSWCVSCXOINH-UHFFFAOYSA-N 322.365 -0.386 30 20 DBED N#Cc1nccc(N2C[C@H](O)[C@H](NC(=O)[C@@H]3CCCOC3)C2)n1 1043869480 QBMWFGNWFJXRNU-UTUOFQBUSA-N 317.349 -0.559 30 20 DBED Cc1nn(C)c(F)c1C(=O)N1CC(O)(CNC(=O)[C@H](C)C#N)C1 1045547374 ZFTGLDXIALGQAH-MRVPVSSYSA-N 323.328 -0.670 30 20 DBED CC(C)[C@@H]1CCO[C@@H]1C(=O)N1CC(O)(CNC(=O)[C@H](C)C#N)C1 1045559595 MRVXEIIKVNSHOW-AGIUHOORSA-N 323.393 -0.103 30 20 DBED CC[C@@H]1[C@@H](C(=O)N2CC(O)(CNC(=O)[C@H](C)C#N)C2)CCN1C 1045559676 NWVSNAYTXAJTEY-FRRDWIJNSA-N 322.409 -0.434 30 20 DBED C=CCN1CC[C@H](N2CCN(C(=O)[C@H]3COCCO3)CC2)C1 1046005976 CPDZEFGFIPAKPP-LSDHHAIUSA-N 309.410 -0.194 30 20 DBED C=C1CC(C)(C(=O)NCC2(O)CN(C(=O)[C@H]3CCNC3=O)C2)C1 1046312320 VLTZYGKNCMVKFG-NSHDSACASA-N 321.377 -0.832 30 20 DBED C[C@@H]1CC[C@H](C(=O)NCC2(O)CN(C(=O)C#CC3CC3)C2)O1 1047021361 RUCLNPACVPWQLE-DGCLKSJQSA-N 306.362 -0.343 30 20 DBED CN(C(=O)c1nn(C)c2c1CCCC2)[C@H]1CN(CC#N)C[C@@H]1O 1047537432 JHYOOFZJIPHRCK-KBPBESRZSA-N 317.393 -0.060 30 20 DBED C#CCOc1ncccc1C(=O)N(C)[C@H]1CN(CC#N)C[C@@H]1O 1047601935 RAICHVKRXXTIEU-KBPBESRZSA-N 314.345 -0.266 30 20 DBED C=C(C)CN1C[C@H](O)[C@@H](N(C)C(=O)c2nccnc2C(N)=O)C1 1047619169 FIUGCOYMFJKXER-QWRGUYRKSA-N 319.365 -0.731 30 20 DBED C#CCN1C[C@H]2CN(C(=O)CN3CCCS3(=O)=O)C[C@H]2C1 1048850024 XTYGHKRQXPDMAA-BETUJISGSA-N 311.407 -0.955 30 20 DBED C=C(C)CN1C[C@H]2CN(C(=O)CC[C@H]3NC(=O)NC3=O)C[C@H]2C1 1049206913 LJNVIBSJQUPIDR-FRRDWIJNSA-N 320.393 -0.059 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)c2ccnc(O)c2)C[C@@H]1O 1049387890 BYOPYAFJHMYCPL-DLOVCJGASA-N 318.333 -0.409 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H]([C@H](C)NC(=O)C2CC2)C1 1050490316 IHIIZKPJQXLKBQ-WCQYABFASA-N 305.378 -0.111 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1CNC(=O)C1(C(N)=O)CC1 1052552453 BPNBIZKUVXLEJE-DGCLKSJQSA-N 317.389 -0.124 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CCOC2(CN(CC(N)=O)C2)C1 1053260281 BKKOOLWVPCRNTR-OLZOCXBDSA-N 323.393 -0.634 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)c1cc(C(N)=O)co1)CCO2 1053424144 BNIZPRMLSJXCJW-UHFFFAOYSA-N 317.345 -0.071 30 20 DBED CC#CCN1CC2(CC[C@H](CNC(=O)[C@H]3CN(C)CCO3)O2)C1 1053586892 YYQQXDTZTMGASV-HUUCEWRRSA-N 321.421 -0.310 30 20 DBED N#Cc1cc(C(=O)NC[C@H]2CCC3(CN(CCO)C3)O2)c[nH]1 1053593245 FRJRFZSSNUHHQC-CYBMUJFWSA-N 304.350 -0.158 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)C3CN(C(C)=O)C3)CO2)C1 1053789576 HHSBSGDWTIEWAT-AWEZNQCLSA-N 305.378 -0.553 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2COC3(C2)CN(CC(N)=O)C3)c1 1053920795 RPAVQHLDFHNJJX-ZDUSSCGKSA-N 314.345 -0.879 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)[C@H]3CCN(C(C)=O)C3)CO2)C1 1053994901 OWLNWWDDTBCAIV-KBPBESRZSA-N 305.378 -0.553 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)[C@H]3CCC(=O)N(C)C3)CO2)C1 1054017748 KSHSVJLHGXVXGC-UONOGXRCSA-N 319.405 -0.162 30 20 DBED COc1ccc(CN[C@H]2CN(C(=O)C(N)=O)C[C@H]2C)cc1C#N 1055019580 BFDSAZGDBAKMRQ-MFKMUULPSA-N 316.361 -0.011 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@](CO)(NC(=O)C2=CCOCC2)C1 1055898013 GGPMYSOCSWILIG-LRDDRELGSA-N 321.377 -0.038 30 20 DBED C#CCCCCC(=O)N1CCC[C@](CO)(NC(=O)C(N)=O)C1 1056091146 PKUPZRWUPZWSAC-HNNXBMFYSA-N 309.366 -0.865 30 20 DBED N#Cc1nccnc1N1C[C@@H]2C(NC(=O)C3=COCCO3)[C@H]2C1 1056100287 MZJBDLWHLJYGEU-UWVGGRQHSA-N 313.317 -0.213 30 20 DBED Cn1cc(C(=O)NC2[C@H]3CN(c4ccc(C#N)nn4)C[C@H]23)nn1 1056197777 GMQRBDKFKOJZMA-UWVGGRQHSA-N 310.321 -0.659 30 20 DBED N#Cc1ccc(N[C@@H]2CCN(C(=O)[C@@H]3CCC(=O)N3)C2)nn1 1056674392 JLUDSQGERHTAFQ-MNOVXSKESA-N 300.322 -0.360 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)c1c(C)cnn1C 1057196798 WXLRMIMSKABCON-UHFFFAOYSA-N 324.381 -0.518 30 20 DBED C=C[C@](C)(O)CC(=O)N(CCO)CCNC(=O)c1cncnc1 1057450288 OPFKDNUMFSBGOS-HNNXBMFYSA-N 322.365 -0.646 30 20 DBED N#Cc1cccnc1N1CCC[C@H](NC(=O)Cn2ncnn2)C1 1058196951 KAPUSRJDDTUOBA-LBPRGKRZSA-N 312.337 -0.275 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)CCCCN(C)C 1058655279 VKTNQSVVZWJQPW-CYBMUJFWSA-N 312.414 -0.185 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)CN1CCC[C@H]1C 1058657114 QYUPUCWJHLWRMF-CHWSQXEVSA-N 310.398 -0.433 30 20 DBED C=C[C@@H](CC)CC(=O)NCCN(CCO)C(=O)Cn1cncn1 1058885304 KPBXUNCTSLGDIP-ZDUSSCGKSA-N 323.397 -0.183 30 20 DBED C=C(C)C[C@H](C)C(=O)NCCN(CCO)C(=O)Cc1nc[nH]n1 1058891571 MFHWKHZCCGVESR-LBPRGKRZSA-N 323.397 -0.113 30 20 DBED Cc1cc(=N[C@H]2CCN(C(=O)Cn3cncn3)C2)c(C#N)c[nH]1 1058897194 QGSXIIXQCDKCNL-ZDUSSCGKSA-N 311.349 -0.012 30 20 DBED Cc1cc(=N[C@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)C2)c(C#N)c[nH]1 1059049342 LAIFDCQEEQBREQ-AAEUAGOBSA-N 314.349 -0.622 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1 1059049441 PHUXYXPEQRLOQS-NSHDSACASA-N 310.317 -0.215 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCOC[C@@H]1CNC(=O)COCC 1061247065 ASNVHKPDCBBIHV-STQMWFEESA-N 312.366 -0.595 30 20 DBED CC(=O)N[C@@H](C)C(=O)N1CCOC[C@@H]1CNC(=O)C#CC(C)C 1061558010 IFWKKHLYMRWNJZ-JSGCOSHPSA-N 323.393 -0.486 30 20 DBED C[C@@H](N=c1cc[nH]c(C#N)n1)C1CCN(C(=O)C(N)=O)CC1 1061874442 BROFWDOCGYVGEZ-SECBINFHSA-N 302.338 -0.706 30 20 DBED CC(C)C#CC(=O)N1CCOC[C@H]1CNC(=O)Cn1cncn1 1061917809 PPKCLXGFFOARSF-CYBMUJFWSA-N 319.365 -0.719 30 20 DBED CNC(=O)CC(=O)NC[C@H]1CN(C(=O)C#CC(C)(C)C)CCO1 1065140915 VBLPYVUVKCUQPC-LBPRGKRZSA-N 323.393 -0.484 30 20 DBED Cc1nc(N[C@@]2(CO)CCCN(C(=O)C(N)=O)C2)ccc1C#N 1066920703 YLZSJPDZKFDQBV-HNNXBMFYSA-N 317.349 -0.488 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@@H](CNC(=O)c3cnon3)C2)nc1 1067678955 XDYDELIRDVLZQI-CMPLNLGQSA-N 314.305 -0.437 30 20 DBED C#CCNC(=O)CC(=O)N1CC2(C[C@H](NC(=O)C(C)C)CO2)C1 1068698921 RODWEEYCAWVIKB-LBPRGKRZSA-N 321.377 -0.732 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)C2=COCCO2)C1 1069892838 RRNLVVHDYHSUBO-NEPJUHHUSA-N 303.322 -0.859 30 20 DBED COCC(=O)N1C[C@@H](c2n[nH]c(C)n2)C2(CN(CC#N)C2)C1 1070435982 XLQQYQNGFMUTQG-NSHDSACASA-N 304.354 -0.489 30 20 DBED O=C(C#CC1CC1)N1CCC[C@@H](N2CCN(CCO)CC2=O)C1 1071263882 IEJZUIJLYFMWDW-OAHLLOKOSA-N 319.405 -0.473 30 20 DBED C[C@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1NC(=O)CSCC#N 1072522274 RNILDZDEVJWCRU-DTWKUNHWSA-N 308.367 -0.362 30 20 DBED C[C@H]1CN(C(=O)CCn2cnnn2)C[C@@H]1NC(=O)C#CC1CC1 1072598923 CLXYDQBGCJBUIB-AAEUAGOBSA-N 316.365 -0.560 30 20 DBED CN1C(=O)CCC[C@H]1C(=O)NC[C@@H]1CN(CC#N)CCCO1 1073873645 GIDWGGGQAFVXRD-OLZOCXBDSA-N 308.382 -0.272 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)COC(C)C 1076217766 HMSIBVZZBNATSZ-LBPRGKRZSA-N 311.382 -0.438 30 20 DBED CC#CCN1C[C@@H]2CCN(C(=O)CC[C@@H]3NC(=O)NC3=O)[C@@H]2C1 1076548887 MDEBPGHMRPNVNS-RWMBFGLXSA-N 318.377 -0.469 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3nc(C)[nH]c3C2)C1 1077260697 RNDLJTQIYLSILA-KCPJHIHWSA-N 302.378 -0.382 30 20 DBED C[C@@H](CCNC(=O)[C@H]1CNC(=O)N1)NC(=O)c1c[nH]c(C#N)c1 1078091568 YNUXFMAQYSSWDU-GZMMTYOYSA-N 318.337 -0.808 30 20 DBED Cc1cc(C)n(CC(=O)N[C@@H]2CN(CC#N)C[C@H]2C)c(=O)n1 1080679625 NYWRKZMKSZVFOQ-ZWNOBZJWSA-N 303.366 -0.180 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CO)(NC(=O)c2cccnn2)CC1 1080965481 JEUZRTVZYHGFEG-NSHDSACASA-N 317.349 -0.280 30 20 DBED C=CCCC(=O)N1CCC(CO)(NC(=O)[C@H]2CNC(=O)N2)CC1 1080973471 OMCPECVEZYWWPW-LLVKDONJSA-N 324.381 -0.896 30 20 DBED C#CCOCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C(C)(F)F)C1 1081186110 KTODLQCCCJPIBI-WDEREUQCSA-N 318.320 -0.383 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2cncnc2)C[C@H]1O 1081345790 AFPYTGWCQCYLTO-CHWSQXEVSA-N 320.349 -0.772 30 20 DBED C=CCN1C[C@@H](NC(=O)[C@@H]2CCCS(=O)(=O)C2)[C@H](OC)C1 1082195510 OGSJFKGRQMQQHY-JHJVBQTASA-N 316.423 -0.187 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2cn(C[C@H]3CCOC3)nn2)C[C@H]1C 1082829578 BCKJUMSKOOFSCU-MGPQQGTHSA-N 317.393 -0.002 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCCN2C2CCOCC2)C1 1083519609 BUJHBDVIHAZZOM-OAGGEKHMSA-N 323.437 -0.023 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCCCS2(=O)=O)C1 1083522130 UUNGQCLULSCYIT-AGIUHOORSA-N 316.423 -0.309 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)Cc2csc3nccn23)C1 1084062428 PIEJELDJXQDDIP-MNOVXSKESA-N 305.363 -0.377 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)c2cc(C(N)=O)cs2)C1 1084095539 CKQVZFGVOTYMLO-MNOVXSKESA-N 307.375 -0.355 30 20 DBED C=CCN[C@H]1C[C@H](CNC(=O)c2cn(C)c(=O)n(C)c2=O)C1 1086494403 DHGBAIHHDOJSKR-XYPYZODXSA-N 306.366 -0.632 30 20 DBED C[C@H](C[C@@H](C)NC(=O)c1cnnn1C)N=c1cc[nH]c(C#N)n1 1089292903 SYLSHHVSPPCQLO-NXEZZACHSA-N 314.353 -0.092 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)c2cn(CCOC)nn2)[C@H](O)C1 1090260153 ZUKNKQLNRRWZDF-TZMCWYRMSA-N 323.397 -0.334 30 20 DBED CC#CCN1CC[C@H](NC(=O)Cn2cccc(C)c2=O)[C@@H](O)C1 1090267208 ZWUNOKZHQOKCGE-GJZGRUSLSA-N 317.389 -0.269 30 20 DBED COCCCC(=O)N[C@@H]1CN(c2nc(C)cc(C#N)n2)C[C@H]1O 1090375587 RESRORJMDOQBEU-CHWSQXEVSA-N 319.365 -0.251 30 20 DBED C#CCN1CC[C@H](NC(=O)Cn2cnc3c2CCCC3)[C@@H](O)C1 1090436125 NPEKOPVAMOOCMB-HOCLYGCPSA-N 316.405 -0.054 30 20 DBED CCOCC(=O)N[C@@H]1CCN(c2ccc(C#N)nn2)C[C@@H]1O 1092129585 RPYVBECZMTXCPJ-NEPJUHHUSA-N 305.338 -0.559 30 20 DBED CC(=O)NC(C)(C)C(=O)N1CCN(c2ccc(C#N)nn2)CC1 1093163790 LGJUUIQNVYJQLV-UHFFFAOYSA-N 316.365 -0.088 30 20 DBED C[C@@H](CC(N)=O)C(=O)N1CCN(c2ccnc(C#N)n2)CC1 1093194657 WQHSWMRHSPAJQL-JTQLQIEISA-N 302.338 -0.492 30 20 DBED C#CCNC(=O)CC(=O)NCCNc1ccnc(O)c1[N+](=O)[O-] 1093558243 JSISQWRXZUETON-UHFFFAOYSA-N 321.293 -0.637 30 20 DBED CN1CCC(OCC(=O)NCCNc2cncc(C#N)n2)CC1 1093815396 ZQJKZGHMPCTFOB-UHFFFAOYSA-N 318.381 -0.013 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)c3cc(C)[nH]n3)CC2=O)C1 1094712766 ZWWFSDIGDLAEGU-NSHDSACASA-N 303.366 -0.081 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)c3ccc(C)nn3)CC2=O)C1 1094735367 LSPOLGZSXNNXJH-GFCCVEGCSA-N 315.377 -0.014 30 20 DBED N#CCN1CC(N2C[C@H](NC(=O)CN3CCCC3)CC2=O)C1 1094818189 YPPMLVHNMKSWDY-GFCCVEGCSA-N 305.382 -0.993 30 20 DBED CC(=O)NCC(=O)NCC1CCN(c2cnc(C#N)cn2)CC1 1095334369 ODBITYYFWHGBCQ-UHFFFAOYSA-N 316.365 -0.183 30 20 DBED Cc1cc(N(C)CCCNC(=O)[C@H]2CNC(=O)N2)c(C#N)cn1 1095715165 IOQFYAIEPSXHMW-GFCCVEGCSA-N 316.365 -0.114 30 20 DBED CCN(CCCNC(=O)c1nnn(C)n1)c1ccc(C#N)nn1 1095945195 LKURJNOTJNETQI-UHFFFAOYSA-N 315.341 -0.482 30 20 DBED CN(C)CCOCC(=O)N1CC[C@H](Nc2nccnc2C#N)C1 1096947228 LLISVVXVRCYHNG-LBPRGKRZSA-N 318.381 -0.061 30 20 DBED CC(=O)NCC(=O)N[C@H]1C[C@@H](Nc2nc(C)cc(C#N)n2)C1 1097143811 XSLOWDCYZFSWJB-PHIMTYICSA-N 302.338 -0.148 30 20 DBED CCn1nnc(C)c1C(=O)NC[C@H](C)N=c1cc[nH]c(C#N)n1 1098097817 MQHPPWQQGXMNDY-VIFPVBQESA-N 314.353 -0.080 30 20 DBED N#CCNCc1cn([C@H]2CCN(C(=O)c3n[nH]cc3F)C2)nn1 1098722585 OOOCKZMHZGETOU-JTQLQIEISA-N 318.316 -0.159 30 20 DBED C#CCNC(=O)CN1C[C@@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)COC)C1 1099373231 UKTGJMSLTNMUFD-XQLPTFJDSA-N 319.405 -0.449 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H]2CC[C@H]1[C@H]1CN(CCO)C[C@H]21 1099468236 LCYVMXDNSWMQLA-KBXIAJHMSA-N 319.405 -0.713 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)c2ccoc2C)[C@H](O)C1 1099643821 BGWNJARAKZHPDW-ZIAGYGMSSA-N 319.361 -0.498 30 20 DBED Cc1cc(N(C)CCNC(=O)[C@@H]2CCNC2=O)c(C#N)cn1 1100270252 MOJZSEXWQUFXML-GFCCVEGCSA-N 301.350 -0.050 30 20 DBED CN(CCNC(=O)c1ccc(C(N)=O)[nH]1)c1cncc(C#N)n1 1100325793 XEMYRQIFUKAOCO-UHFFFAOYSA-N 313.321 -0.359 30 20 DBED N#CCNC1CC(CNC(=O)CNC(=O)c2ccncc2)C1 1100351241 QYKDCGMFHOLYIQ-UHFFFAOYSA-N 301.350 -0.181 30 20 DBED CC#CCNC1CC(CNC(=O)c2cn(C)c(=O)n(C)c2=O)C1 1100723598 DQYSKWOPRPAFFN-UHFFFAOYSA-N 318.377 -0.795 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CCN(c2ccc3nnnn3n2)C1 1100950004 LZCQSRFMZDJJTD-VHSXEESVSA-N 300.326 -0.379 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)[C@H]1CCCCC(=O)N1 1101957326 YVJCYKBWZYWIIN-LLVKDONJSA-N 316.365 -0.301 30 20 DBED Cc1cc(=NC[C@@](C)(NC(=O)C(N)=O)C2CC2)c(C#N)c[nH]1 1103565599 CEDBIURPAKIGGP-OAHLLOKOSA-N 301.350 -0.134 30 20 DBED C#CCN1C[C@@H](C)[C@H](CCNC(=O)CN2C(=O)CN(C)C2=O)C1 1103703990 OKGQNSMFUUTNHR-CHWSQXEVSA-N 320.393 -0.412 30 20 DBED Cc1cc(=NC[C@@H](C)N(C)C(=O)c2nnn(C)n2)c(C#N)c[nH]1 1104764754 TWULSNUHNHKMQS-SNVBAGLBSA-N 314.353 -0.220 30 20 DBED CN(CCN(C)c1ccnc(C#N)n1)C(=O)[C@@H]1COCCN1C 1105373352 SLFHYPGLBXIZBE-LBPRGKRZSA-N 318.381 -0.427 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H]1CCC[C@H]1NC(=O)CC(N)=O 1105651347 KHDWDXDKLNBHGC-GXFFZTMASA-N 301.350 -0.053 30 20 DBED Cc1ocnc1C(=O)NC[C@H](O)CNc1ccc(C#N)nn1 1105728947 DWGYJHZMHWAHRM-SNVBAGLBSA-N 302.294 -0.153 30 20 DBED Cn1cccc1C(=O)NC[C@H](O)CNc1cncc(C#N)n1 1105757748 IBVGHNUBKLXQCJ-LLVKDONJSA-N 300.322 -0.110 30 20 DBED Cc1cc(C(=O)NC[C@@H](O)CN=c2cc[nH]c(C#N)n2)co1 1105814125 YELTWRNVBIBHJE-NSHDSACASA-N 301.306 -0.126 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H](O)CNC(=O)CN1CCCC1 1105856197 PKMKUVWXJGURRB-CYBMUJFWSA-N 303.366 -0.640 30 20 DBED Cn1cncc1CC(=O)NC[C@@H](O)CNc1nccnc1C#N 1105914317 UEDJUWYWDBHTSM-LLVKDONJSA-N 315.337 -0.787 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](C)[C@H](CNCCN2C(=O)CNC2=O)C1 1105951584 HRXZFUWNVHECHL-QJPTWQEYSA-N 321.381 -0.618 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)[C@H]2CCCNC2=O)nc1 1105999334 OYWPPFYXZACFPH-NEPJUHHUSA-N 317.349 -0.632 30 20 DBED COc1nc(C(=O)NC[C@H](O)CNc2ccc(C#N)nn2)co1 1106048994 ARRXCKVEMTVEPO-SECBINFHSA-N 318.293 -0.452 30 20 DBED COC(=O)NCC(=O)N[C@@H](C)CCN=c1cc[nH]c(C#N)n1 1106216844 DLLUUHCPDYXZLU-VIFPVBQESA-N 306.326 -0.567 30 20 DBED CCN(CCNc1ccc(C#N)nn1)C(=O)Cc1nc[nH]n1 1106838422 JKUZEBKSCNAGNB-UHFFFAOYSA-N 300.326 -0.031 30 20 DBED CCN(CCNc1cnc(C#N)cn1)C(=O)[C@H]1CCNC1=O 1106909585 MLWGQVHOCQWLMQ-NSHDSACASA-N 302.338 -0.255 30 20 DBED C#CCN1CC(n2cc(CNC(=O)C[C@](C)(O)C=C)nn2)C1 1107164084 PDMCZQCFLZODAB-OAHLLOKOSA-N 303.366 -0.289 30 20 DBED C[C@H](CNc1cnc(C#N)cn1)NC(=O)c1cc(=O)n(C)o1 1107697184 DBDBNZCNHSVCDR-MRVPVSSYSA-N 302.294 -0.130 30 20 DBED C#CCNC(=O)CN1CCO[C@@](C)(CNC(=O)C=C(C)C)C1 1107710018 NXZIIGGOOFMSLC-INIZCTEOSA-N 307.394 -0.091 30 20 DBED C=CCNC(=O)CN1CCO[C@](C)(CNC(=O)c2cn[nH]c2)C1 1107766509 UTUZGADRQIWTDW-OAHLLOKOSA-N 321.381 -0.467 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)c2cn(C)c(=O)cn2)C1 1108085277 VZDGPIYUIHVLGC-OAHLLOKOSA-N 304.350 -0.766 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)c2cccc(C(N)=O)n2)C1 1108430608 PEMKJEKANQJDTI-MRXNPFEDSA-N 316.361 -0.366 30 20 DBED CC#CCN1CC(N2C[C@@H](NC(=O)[C@H](CC)OC)CC2=O)C1 1108517780 OBYHIFFMHGFVLK-JSGCOSHPSA-N 307.394 -0.164 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)CCc3nc[nH]n3)CC2=O)C1 1108528903 AOQOVXPJTQRGHZ-LLVKDONJSA-N 318.381 -0.675 30 20 DBED C=CC(C)(C)CC(=O)N[C@H]1CC(=O)N(C2CN(CCO)C2)C1 1108548835 XNEHBCDCEGWKLU-LBPRGKRZSA-N 309.410 -0.018 30 20 DBED C=CCCN1CC(N2C[C@@H](NC(=O)CCCC(N)=O)CC2=O)C1 1108595104 FZGYTMOLBWITQO-LBPRGKRZSA-N 322.409 -0.381 30 20 DBED C=CCNC(=O)NC(=O)CN[C@H]1C[C@H]2C[C@@H](C1)N(C(C)=O)C2 1108597243 KUPSUMBZXWYJGO-AVGNSLFASA-N 308.382 -0.013 30 20 DBED Cc1cc(C#N)nc(N(C)C[C@H](C)NC(=O)Cc2nc[nH]n2)n1 1109080623 AGDJZUFRBJEERP-JTQLQIEISA-N 314.353 -0.042 30 20 DBED C[C@H](NC(N)=O)C(=O)NCC1(Nc2ccc(C#N)nn2)CC1 1110104731 NZESDQOCLAZVOY-QMMMGPOBSA-N 303.326 -0.534 30 20 DBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H](C)NC(C)=O 1110265672 WEKUPCIDLOGHCT-ZRJCITRHSA-N 322.409 -0.465 30 20 DBED CC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1CN=c1cc[nH]c(C#N)n1 1110526961 FZYBGYWNJVRJSJ-JQWIXIFHSA-N 316.365 -0.302 30 20 DBED COC[C@@H](OC)C(=O)N1CCC[C@H]1CN=c1cc[nH]c(C#N)n1 1110561644 LIOBUYKFPIMFBB-NWDGAFQWSA-N 319.365 -0.166 30 20 DBED C#CCN(C(=O)CC(N)=O)C1CCN(c2cc(F)ncn2)CC1 1110621243 REPKIHWFYGFHBL-UHFFFAOYSA-N 319.340 -0.078 30 20 DBED CN(C)CCC(=O)NC[C@]1(O)CCN(c2nccnc2C#N)C1 1111124626 QAIRSRMLUULOKG-OAHLLOKOSA-N 318.381 -0.643 30 20 DBED N#Cc1cncc(NCCN(CCO)C(=O)[C@@]2(F)CCOC2)n1 1111546655 UOOMNCYOGJFEPY-CQSZACIVSA-N 323.328 -0.290 30 20 DBED C=CCNC(=O)CN1C[C@@H]2CCC[C@]2(NC(=O)CC(=O)NC)C1 1111721697 SSVVUMYBRKLSNM-LRDDRELGSA-N 322.409 -0.605 30 20 DBED CNC(=O)NCC(=O)N1C[C@H](C)[C@@H](Nc2ccc(C#N)nn2)C1 1112341097 YYQWQULLCABLBQ-ONGXEEELSA-N 317.353 -0.464 30 20 DBED CNC(=O)NCCC(=O)N[C@@H](C)[C@@H](C)Nc1cnc(C#N)cn1 1113000600 DIVFPZBSTPFOFH-ZJUUUORDSA-N 319.369 -0.028 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)[C@@H](C)CC(N)=O)CC1 1113193841 QMCSWOWJNCNFEC-RYUDHWBXSA-N 310.398 -0.667 30 20 DBED C[C@H](CNC(=O)[C@@H]1COCCO1)N(C)c1ccnc(C#N)n1 1113501971 REWXKNKYXZDKKZ-MNOVXSKESA-N 305.338 -0.295 30 20 DBED C#CCN1CCC(C(=O)N2CCN(C[C@@H](O)COC)CC2)CC1 1113677855 UFGLIZQEXHFOJJ-MRXNPFEDSA-N 323.437 -0.517 30 20 DBED C#CCOCCC(=O)NC[C@@H](C)N(C)c1ccc2nnnn2n1 1113722709 DNYFKRFLOCKLOJ-LLVKDONJSA-N 317.353 -0.500 30 20 DBED CCCSCC(=O)NC1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]12 1113950601 LAJYCQIONKWGIW-GHMZBOCLSA-N 310.423 -0.184 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)Cc3cccnc3)[C@H]2C1 1114138470 DWJQQJPPEZMRDH-KBPBESRZSA-N 312.373 -0.580 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)Cc3cccnc3)[C@@H]2C1 1114139979 XPUFEHMOQPJSPU-ZIAGYGMSSA-N 314.389 -0.027 30 20 DBED Cc1nocc1C(=O)NC1[C@H]2CN(CC(=O)NCC#N)C[C@H]12 1114761375 KKHQGXTZNGAEGV-UWVGGRQHSA-N 303.322 -0.717 30 20 DBED C=CCOCCN1C[C@H]2C(NC(=O)C3CC(=O)NC(=O)C3)[C@@H]2C1 1114965316 IFYFVETWMRSVQL-VXGBXAGGSA-N 321.377 -0.712 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)c3cn(CC)nn3)[C@H]2C1 1115031479 YIASGZGPPAZXGS-QWRGUYRKSA-N 318.381 -0.740 30 20 DBED COCC(=O)NCCOCCN(C)c1nc(C)cc(C#N)n1 1115158769 RAEFXBWXCZGSEM-UHFFFAOYSA-N 307.354 -0.128 30 20 DBED C[C@@H](C#N)C(=O)NCCOCCCNc1ccc2nnnn2n1 1115390197 ATYFPINNFYEBCJ-JTQLQIEISA-N 318.341 -0.386 30 20 DBED C=C(C)COCCNC(=O)C(=O)N(C[C@H](C)O)[C@H](C)CO 1117557488 CYCHIPWBSGYNOT-NEPJUHHUSA-N 302.371 -0.715 30 20 DBED C=CCOCCNC(=O)C(=O)N1CCC(N2CCCC2=O)CC1 1118383646 ILVBYGQURMODFP-UHFFFAOYSA-N 323.393 -0.081 30 20 DBED COC(=O)NC1CCN(C(=O)C(=O)N2CCO[C@@H](C#N)C2)CC1 1118584732 FEJTZZJLTAURHU-NSHDSACASA-N 324.337 -0.916 30 20 DBED C[C@@H]1[C@H](NC(=O)NC2CCN(CC#N)CC2)CCS1(=O)=O 1118860417 NPJKOKFUXLQFJZ-ZYHUDNBSSA-N 314.411 -0.151 30 20 DBED C=CC/N=C(/NCCCN1CCOCC1)NCCn1cncn1 1120549463 GDXWMJOUJQVLGZ-UHFFFAOYSA-N 321.429 -0.278 30 20 DBED CNC(=O)NCC(=O)N(C)C[C@@H](C)Nc1cnc(C#N)cn1 1120817068 ILBPZFLSWQWOHR-SECBINFHSA-N 305.342 -0.464 30 20 DBED CC(=O)NCC(=O)NC[C@@H](CO)Nc1ccc(C#N)c(C)n1 1121127596 DJQJUQFLWMENKA-LBPRGKRZSA-N 305.338 -0.713 30 20 DBED N#Cc1nc(=N[C@@H](CO)CNC(=O)CC(F)(F)F)cc[nH]1 1121271952 BYWDVKBLBDEOIJ-SSDOTTSWSA-N 303.244 -0.388 30 20 DBED Cn1ccc(C(=O)NC[C@@H](CO)Nc2cncc(C#N)n2)c1 1121295751 LOMXCEYKJOGNFY-LBPRGKRZSA-N 300.322 -0.110 30 20 DBED C[C@@](O)(CC(=O)NC[C@@H](CO)Nc1cnc(C#N)cn1)C1CC1 1121338698 AZXFRSJUXLHSPB-SWLSCSKDSA-N 319.365 -0.212 30 20 DBED C=CCn1c(C[C@H](C)O)nnc1N1CCO[C@H](C(=O)NC)C1 1121527363 RFZDHUPNAUQQFH-QWRGUYRKSA-N 309.370 -0.661 30 20 DBED COCCOCCC(=O)NC[C@@H](CO)Nc1ccc(C#N)cn1 1121698067 FWKAKRASADONAA-ZDUSSCGKSA-N 322.365 -0.105 30 20 DBED N#Cc1cccnc1N[C@@H](CO)CNC(=O)Cn1ccnc1 1121718042 LPCWOLSXBWJSMU-GFCCVEGCSA-N 300.322 -0.261 30 20 DBED CN1CCCC[C@H]1C(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1 1122340664 BBFISXSAAFZTGB-RYUDHWBXSA-N 318.381 -0.857 30 20 DBED C[C@@H]1CCCN1CC(=O)NC[C@@H](CO)Nc1cncc(C#N)n1 1122525609 CSOCZEBPHANMAM-YPMHNXCESA-N 318.381 -0.278 30 20 DBED C=C(C)Cn1c(C(N)=O)nnc1N1CCN2CCOC[C@@H]2C1 1122532206 VOHZMJQGWPANRZ-NSHDSACASA-N 306.370 -0.526 30 20 DBED N#Cc1nccnc1N[C@@H](CO)CNC(=O)Cc1cnc[nH]1 1122621951 LVLKRYGOBDMTAO-SNVBAGLBSA-N 301.310 -0.797 30 20 DBED C#CCNC(=O)CC(=O)NCCN[C@H](C)c1nnc(C)s1 1125982032 PIFSDWYMCHTOMA-SECBINFHSA-N 309.395 -0.247 30 20 DBED N#CCNC(=O)CNCCNC(=O)C[C@@H]1Cc2ccccc2O1 1128037269 DORTUJOHCOBHPY-ZDUSSCGKSA-N 316.361 -0.274 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CN(CCCO)C[C@@H]1n1ccnn1 1128989633 ROSVWUVCHRXZCP-KGLIPLIRSA-N 303.366 -0.585 30 20 DBED C=C(C)CN[C@@H]1CN(C(=O)CC(=O)NC)C[C@@H]1n1ccnn1 1129770151 BAEJMOJQNJHYGX-NEPJUHHUSA-N 306.370 -0.668 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CCc2cncn2C1 1130488091 MRINXHHKCYCLQZ-CHWSQXEVSA-N 319.409 -0.158 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)CCc1cccnc1 1130920559 VWHLQQHSBOTQND-CYBMUJFWSA-N 302.378 -0.142 30 20 DBED N#CCNC(=O)CNCCNC(=O)[C@@]12CCCC[C@H]1OCC2 1131211378 CUBCZYHGQOMRLN-IUODEOHRSA-N 308.382 -0.319 30 20 DBED CC#CCN1C[C@H]2C[C@@H]3CN(C(=O)[C@H](COC)OC)C[C@@]3(C1)O2 1131265160 YQBLBWZJCDZRBL-PNBKFKSVSA-N 322.405 -0.027 30 20 DBED CN(C)C(=O)CC(=O)N1CCC([C@@H]2OCC[C@H]2NCC#N)CC1 1131575141 QQCBXXDWWOWGJZ-CJNGLKHVSA-N 322.409 -0.026 30 20 DBED C#CCNC(=O)CN1C[C@H](NC(=O)c2ncc[nH]2)CC[C@H]1C 1132005991 DUCCXBDNVJHWIW-VXGBXAGGSA-N 303.366 -0.258 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@H](C)NC(=O)C(C)(C)C 1132132455 KFKRDEILRIJXDT-NEPJUHHUSA-N 324.425 -0.619 30 20 DBED C[C@H]1CC[C@H](NC(=O)c2ccncn2)CN1CC(=O)NCC#N 1132372628 RWMKSUJLJPAMSP-RYUDHWBXSA-N 316.365 -0.301 30 20 DBED C=CCNC(=O)CNC[C@@H]1CN(C(=O)CC(N)=O)CC[C@H]1C 1132719174 WGWZZHDMURUJDN-VXGBXAGGSA-N 310.398 -0.762 30 20 DBED COCC(=O)N(C)CC(=O)N1CC[C@@H](C)[C@@H](CNCC#N)C1 1132874727 MAMRPSBKSRSFQD-OLZOCXBDSA-N 310.398 -0.311 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)[C@@]2(C)CCNC2=O)C1=O 1133766385 CTFWGQNOPOCRGT-ABAIWWIYSA-N 308.382 -0.995 30 20 DBED C=CCCCNCCNC(=O)Cn1ncn2nccc2c1=O 1134665292 KMWCVJZIOPCNCK-UHFFFAOYSA-N 304.354 -0.437 30 20 DBED C=CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)c1cncnc1O 1134721665 JIZRYUZSLULDBU-GHMZBOCLSA-N 321.381 -0.029 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1ccc(C(N)=O)s1 1135263196 NEPNYLOWLLGBND-SECBINFHSA-N 322.390 -0.696 30 20 DBED COCC#CCN[C@H](C)C[C@@H](C)NC(=O)c1c[nH]c(=O)cn1 1135325205 JZLMATKRZLEACR-VXGBXAGGSA-N 306.366 -0.094 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)[C@H]1CC1(F)F)C2 1147476594 VGZKOIDEMOWWNF-LLVKDONJSA-N 311.332 -0.075 30 20 DBED N#CCNC(=O)CN1CCCO[C@H](CNC(=O)[C@H]2CCCO2)C1 1149089654 CEHLGHXHCQKCDY-CHWSQXEVSA-N 324.381 -0.988 30 20 DBED C[C@H](C#N)C(=O)NCCCNCCCN1C(=O)NC(C)(C)C1=O 1155860571 OEVOOBBRMCHHIY-LLVKDONJSA-N 323.397 -0.038 30 20 DBED C=CCNC(=O)CNCCCNC(=O)CCNC(=O)[C@H]1C[C@@H]1C 1159231193 RMFNOWAKEVYNIM-STQMWFEESA-N 324.425 -0.453 30 20 DBED C#CCCNCC1(CCNC(=O)CNS(=O)(=O)CC)CC1 1165294116 VFMIQSOAIKBGRP-UHFFFAOYSA-N 315.439 -0.175 30 20 DBED O=C1NC[C@H](C(=O)NCCCNCC#Cc2ccccc2)N1 1165469458 YEKILXZBVOAOJF-CQSZACIVSA-N 300.362 -0.185 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)CCCCN[C@H](C)C(N)=O 1170310805 NNYJDZIDMNASRE-VXGBXAGGSA-N 310.398 -0.736 30 20 DBED C#CCNCCCC[C@@H](C)NC(=O)Cn1ccc(=O)n(C)c1=O 1171120447 LXLOZQNNGIUTNP-CYBMUJFWSA-N 320.393 -0.555 30 20 DBED COCCC(=O)N1C[C@H]2CC[C@H]1[C@@H](CNCC(=O)NCC#N)C2 1177563428 GXASBDBUTQPSBH-MJBXVCDLSA-N 322.409 -0.121 30 20 DBED CCn1ccc(C(=O)N2CC[C@H](NCC(=O)NCC#N)[C@@H]2C)n1 1179656645 MJOJPXSFKHKYON-RYUDHWBXSA-N 318.381 -0.265 30 20 DBED C=CCNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)[C@@H](C)OC)C1 1181302424 RHRQOKMRTNMYCK-GHMZBOCLSA-N 312.370 -0.776 30 20 DBED C#CCNC(=O)CNC[C@H]1CCN(C(=O)c2cnn[nH]2)C[C@H]1C 1184723373 IKMDLIPSFVMGJH-VXGBXAGGSA-N 318.381 -0.758 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@@H](NCCOCCO)C2)nc1 1187208201 NKJHBHODJHYITP-CQSZACIVSA-N 303.362 -0.124 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)[C@H](C)n2cccn2)C1 1191178537 RQCWMQOMSHORRA-BFHYXJOUSA-N 308.382 -0.192 30 20 DBED CN(CC(=O)NCC#N)[C@@H]1CCN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1191827906 ISIKNVNBWFWFMH-NMKXLXIOSA-N 306.366 -0.949 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)CCCN(C)C)C1 1192039078 VZVZEGKOKJUQBI-AWEZNQCLSA-N 308.426 -0.390 30 20 DBED COc1cccc(OCC(=O)N[C@@H]2CN(CC#N)C[C@H]2O)c1 1196327693 YWGCSIHOMSQQNH-ZIAGYGMSSA-N 305.334 -0.241 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@H](c2cccnc2)N(C)C)C1 1199164844 XOKWUOQAPBWZGB-OAGGEKHMSA-N 316.405 -0.131 30 20 DBED CNC(=O)CNC[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)CCCO1 1200281354 IYASXSJPFZLKNP-LBPRGKRZSA-N 319.365 -0.547 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)c2ccc(C)nn2)CC1 1200455476 CQLLRPQMVYTDCS-UHFFFAOYSA-N 315.377 -0.271 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)COCC(F)F)CC1 1201801794 RRLRGXNKOJNLQJ-UHFFFAOYSA-N 317.336 -0.402 30 20 DBED CC#CCN[C@@H]1C[C@@H](NC(=O)CN2CCNC(=O)C2)C12CCC2 1203256920 KIKHHLFHTOJPJC-ZIAGYGMSSA-N 318.421 -0.542 30 20 DBED C=CCOCC(=O)N1CCC(CN[C@@H]2CCC(=O)NC2=O)CC1 1204793973 SJXCYPNOWQGUGT-CYBMUJFWSA-N 323.393 -0.178 30 20 DBED C[C@@H]1[C@H](C(=O)N2CCC[C@@H](NCC(=O)NCC#N)C2)CCN1C 1208070317 IXZBQBFJBSQZAV-MGPQQGTHSA-N 321.425 -0.453 30 20 DBED COCC#CCN[C@@H]1CCCN(C(=O)c2ccc(=O)n(C)n2)C1 1210958673 LSPWJYGCSWNDGG-CYBMUJFWSA-N 318.377 -0.376 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)[C@H](CC)OC)[C@H](OC)C1 1211995153 VXHRZMOGNNIETJ-FRRDWIJNSA-N 313.398 -0.471 30 20 DBED CC#CCN1C[C@@H](NC(=O)[C@H](OC)c2cnn(C)c2)[C@H](OC)C1 1213228210 MLNKULZUHRAOEJ-RBSFLKMASA-N 320.393 -0.054 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)CCC=C 1217476032 QVRHWRVOLMTXNX-UONOGXRCSA-N 305.378 -0.386 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(Cc2n[nH]c(C)n2)C[C@@H]1O 1219536402 PKPRGGOOAJCXCE-UHIISALHSA-N 309.370 -0.898 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)CC(C)(C)C=C)C1 1219709220 VMSYHXGEDMAVDF-MJBXVCDLSA-N 321.421 -0.112 30 20 DBED N#CCNC(=O)CN1CCC(NC(=O)c2ncccc2O)CC1 1226978284 QLRVOBURORFBKY-UHFFFAOYSA-N 317.349 -0.379 30 20 DBED N#CCN1CCC(NC(=O)CNC(=O)C2CCOCC2)CC1 1229655345 HTVISVWQQCYZSA-UHFFFAOYSA-N 308.382 -0.367 30 20 DBED COC(=O)N1CCN(C(=O)C(=O)NCC2(CC#N)CC2)CC1 1261227262 OXKRCAWAFXENOZ-UHFFFAOYSA-N 308.338 -0.293 30 20 DBED CO[C@@H]1CCN(C(=O)C(=O)N2CCN(CCC#N)CC2)C[C@@H]1C 1261872846 CKVJARFMSSQJKD-UONOGXRCSA-N 322.409 -0.072 30 20 DBED C=C(C)Cn1c(C[C@H](C)O)nnc1N1CCO[C@H](C(=O)NC)C1 1263314134 GXXPKBFPDDHEQS-RYUDHWBXSA-N 323.397 -0.271 30 20 DBED NC(=O)CNC(=S)NN=Cc1ncc(C2OCCO2)s1 1322093531 ZRZCYKXTRWDZJZ-UHFFFAOYSA-N 315.380 -0.528 30 20 DBED C=CCSCCNC(=O)C(=O)NCCS(=O)(=O)NCC 1322107807 UNDMHOQSADSDHO-UHFFFAOYSA-N 323.440 -0.923 30 20 DBED C#CCSCCNC(=O)C(=O)N1C[C@@H](CO)O[C@H](C)C1 1323105926 ZOVUJSRQZTUNKA-MNOVXSKESA-N 300.380 -0.923 30 20 DBED N#C[C@]1(F)CCN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 1323618313 XYJLJDNVTXMFOF-GFCCVEGCSA-N 324.272 -0.628 30 20 DBED C#CC[C@@H](NC(=O)C(=O)NCc1nnn(C)n1)c1ccccc1 1326563684 GTRCPZIXEXIYSG-GFCCVEGCSA-N 312.333 -0.293 30 20 DBED CN(C)C(=O)[C@@H]1CCN(C(=O)C(=O)Nc2cccc(C#N)n2)C1 1326821859 UYVABIVIRDVFHJ-SNVBAGLBSA-N 315.333 -0.172 30 20 DBED N#Cc1cnn(C(=O)CNS(=O)(=O)c2ccccc2)c1N 1327533963 TVTHQJMWDHXZSO-UHFFFAOYSA-N 305.319 -0.044 30 20 DBED N#CCN1CCC(NC(=O)C(=O)N2CC[C@@](O)(C3CC3)C2)CC1 1328685892 YSPUIOUHPFXMQZ-INIZCTEOSA-N 320.393 -0.536 30 20 DBED N#Cc1cccc(NC(=O)C(=O)NCCN2CCCC2=O)n1 1329663421 YEBOOMWMIDXIPQ-UHFFFAOYSA-N 301.306 -0.370 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N1CCC[C@H](C(=O)NC)C1 1330428881 GGBSPSSUEBDZIF-STQMWFEESA-N 323.393 -0.484 30 20 DBED C#CCN(CC1CC1)C(=O)N[C@H]1CS(=O)(=O)C[C@@H]1OC 1333805340 YDKDBWCCXXWIGX-RYUDHWBXSA-N 300.380 -0.147 30 20 DBED C=CCN(C(=O)C(=O)NCCN1CCNC1=O)[C@H](C)COC 1336396215 XWZWIJSDLKQEFX-LLVKDONJSA-N 312.370 -0.823 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N[C@H]1CC(=O)N(C2CC2)C1 1342361731 HILYGENKJXRZNL-LBPRGKRZSA-N 301.346 -0.649 30 20 DBED C#C[C@H](NC(=O)C(=O)NCCn1cnnc1CC)[C@H]1CCCO1 1342540874 OXRMYNGBHXBTPT-NWDGAFQWSA-N 319.365 -0.746 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)Nc1ccc(CC(N)=O)cc1 1342732996 OANPEINIMHNTPY-LLVKDONJSA-N 305.334 -0.030 30 20 DBED C=C(C)Cn1c(C(N)=O)nnc1N(C)CCN1CCOCC1 1342978280 JVNQMYIODUSHCH-UHFFFAOYSA-N 308.386 -0.279 30 20 DBED C=CCOCCn1nnnc1N1CC[C@@H](C)S(=O)(=O)CC1 1352363311 XSKLASBFQLWGHH-LLVKDONJSA-N 315.399 -0.111 30 20 DBED N#Cc1cn(CC(=O)N2CCc3c[nH]nc3C2)c(=O)nc1O 1362665195 NMAKOUQBEXBAMX-UHFFFAOYSA-N 300.278 -0.871 30 20 DBED Cc1cc(NC(=O)Cn2c(=O)c(C#N)c(C)n(C)c2=O)on1 1364312052 XDIUVETVTOIKKS-UHFFFAOYSA-N 303.278 -0.338 30 20 DBED N#CCC1(CN2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)CC1 1364375413 KROZJNLHGRWKAW-CHWSQXEVSA-N 313.423 -0.544 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)[C@H]2COC(=O)N2)CCCC1 1375286215 WNSMACRUPOZNBI-VHSXEESVSA-N 308.338 -0.200 30 20 DBED CNC(=O)NCC(=O)N[C@H]1CC12CCN(C(=O)[C@@H](C)C#N)CC2 1385839415 QZOCPMWYTNDZNG-QWRGUYRKSA-N 321.381 -0.428 30 20 DBED Cc1nnsc1C(=O)N(C)C[C@H](O)CNC(=O)[C@H](C)C#N 1405570033 UJQDCADJVIPVNK-VXNVDRBHSA-N 311.367 -0.445 30 20 DBED Cc1c(CC(=O)N(C)C[C@@H](O)CNC(=O)[C@@H](C)C#N)cnn1C 1405615240 PWQXLGLQQNUCRD-GWCFXTLKSA-N 321.381 -0.634 30 20 DBED COCCN(CCNC(=O)[C@H](C)C#N)C(=O)c1cnns1 1405775897 WMXVZCINNNAVCJ-SECBINFHSA-N 311.367 -0.097 30 20 DBED CN(Cc1cnn(C)c1)C(=O)Cn1cc(C#N)c(O)nc1=O 1412386257 SWRSJZSHQNXOSG-UHFFFAOYSA-N 302.294 -0.787 30 20 DBED C[C@H](NC(=O)Cn1cc(C#N)c(O)nc1=O)c1nccn1C 1418667323 XOKMTVATIBPJMV-QMMMGPOBSA-N 302.294 -0.569 30 20 DBED C[C@@H](CN(C)C(=O)CNC(=O)N1CCCC1)NC(=O)[C@@H](C)C#N 1427560048 OWRRSZLDWQJODH-RYUDHWBXSA-N 323.397 -0.085 30 20 DBED CC(=O)N(C)CC(=O)NC[C@H](O)CNCc1ccccc1C#N 1438973155 KTMDRLCANWUAIZ-OAHLLOKOSA-N 318.377 -0.397 30 20 DBED CCN(CCC#N)C(=O)CN1CC([C@H](C)NC(=O)COC)C1 1448265745 YHPKLPNCTGUVHK-LBPRGKRZSA-N 310.398 -0.169 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CCN(C(=O)CCn2cncn2)C1 1454811864 LCPLICQTBBOHPO-NEPJUHHUSA-N 304.354 -0.207 30 20 DBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC=C(N)N1 1455880951 RVNWGZJSXQXYAR-SECBINFHSA-N 321.362 -0.628 30 20 DBED CN(C)C(=O)[C@@H]1CCN(C(=O)NCCn2cnc(C#N)n2)C1 1478604071 SXWSWQNOCZHIEP-SNVBAGLBSA-N 305.342 -0.731 30 20 DBED CNC(=O)NCC(=O)N[C@@](C)(CNC(=O)[C@H](C)C#N)C1CC1 1499647159 TUNSZZMDCOLECP-OTYXRUKQSA-N 309.370 -0.524 30 20 DBED Cn1c(=O)[nH]c(N2CCC[C@H]([C@H]3CCNC3)C2)c(C#N)c1=O 1579940148 SCJKUHNJQXWPIM-QWRGUYRKSA-N 303.366 -0.229 30 20 DBED N#Cc1c[nH]c(=O)n(Cc2cc(F)ccc2-c2nn[nH]n2)c1=O 1581861661 YQKFBPKVAHJZIV-UHFFFAOYSA-N 313.252 -0.224 30 20 DBED C#CC[C@H](CO)NC[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 1588330698 CSCXJXKGVMHHRH-CHWSQXEVSA-N 317.349 -0.420 30 20 DBED C#CCN(CC(=O)O)C(=O)c1cccc(S(=O)(=O)NC)c1 1588419252 ZDIDXMILUJEGDF-UHFFFAOYSA-N 310.331 -0.245 30 20 DBED C#CCN1CCC(C(=O)NCCC(=O)NCCC(=O)O)CC1 1588471433 NRFMDNMOELLPNZ-UHFFFAOYSA-N 309.366 -0.571 30 20 DBED C[C@](C#N)(CC(=O)O)C(=O)NCC1(O)CCS(=O)(=O)CC1 1588556281 AIABYTWMQYFOOD-LLVKDONJSA-N 318.351 -0.953 30 20 DBED N#Cc1cc(F)cc(S(=O)(=O)NCC(=O)NCC(=O)O)c1 1601089954 ZXATUCRHRXHXDI-UHFFFAOYSA-N 315.282 -0.824 30 20 DBED CC(=O)NCCNS(=O)(=O)c1ccc(C#N)cc1C(=O)O 1603049464 FLDBRJPUHYLYCQ-UHFFFAOYSA-N 311.319 -0.329 30 20 DBED N#Cc1ncn(CC(=O)NCC(F)(F)F)c1-c1nn[nH]n1 1606398885 ZJIKZJKPGMLFAX-UHFFFAOYSA-N 300.204 -0.387 30 20 DBED O=S(=O)(Cc1csc(-c2nn[nH]n2)c1)NCC#CCO 1607058714 AWXZRVMIKGBQSY-UHFFFAOYSA-N 313.364 -0.657 30 20 DBED CCN(CCC#N)C(=O)Cn1c(N)nc(C#N)c1-c1nn[nH]n1 1609223954 WCDRFNBLKVHQDJ-UHFFFAOYSA-N 314.313 -0.721 30 20 DBED N#Cc1cccc(CC(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)O)c1 1611299799 YQFBMWHPMLKKDN-GFCCVEGCSA-N 322.342 -0.189 30 20 DBED C[C@@H](OC(=O)C(C)(C)C#N)C(=O)N[C@H]1CCS(=O)(=O)C1 1647162637 GTKUWFRQHLUEDD-BDAKNGLRSA-N 302.352 -0.229 30 20 DBED C#CCCCCC(=O)N[C@@H](CO)CNC(=O)[C@H]1CCCN1C 1735282963 BNITZKSMZSLLSN-ZIAGYGMSSA-N 309.410 -0.133 30 20 DBED CN(CC(=O)NCC#N)C[C@H]1CCCN(C(=O)c2ncc[nH]2)C1 1752506509 SNYPBNNYGCRSQP-GFCCVEGCSA-N 318.381 -0.167 30 20 DBED COCC#CCN(CCNC(=O)[C@H]1CCC(=O)NC1)C1CC1 1753157504 MESVQOITWFZKRC-ZDUSSCGKSA-N 307.394 -0.257 30 20 DBED CN(CCNCCN1C(=O)CNC1=O)C(=O)c1cc(C#N)c[nH]1 1753179824 SABKPUPOVZONJL-UHFFFAOYSA-N 318.337 -0.900 30 20 DBED C=CCNC(=O)CN1CC[C@H](N(CC)C(=O)[C@H]2CCC(=O)N2)C1 1753452709 DFCLFNMOENEJAZ-QWHCGFSZSA-N 322.409 -0.510 30 20 DBED CC[C@@H](CNC(=O)c1ccc2nnnn2c1)NCC#CCOC 1753478979 JXMZTBUDIKYDRG-ZDUSSCGKSA-N 316.365 -0.128 30 20 DBED C#CCNC(=O)CN[C@@H](CC)CNC(=O)[C@H](C)c1cnn(C)c1 1753498825 ZKOIZIURRLLWEA-OCCSQVGLSA-N 319.409 -0.243 30 20 DBED C=CCNC(=O)CN1CC[C@@](C)(NC(=O)c2cccnn2)C1 1754681272 DCUOTZGYIKPCGG-OAHLLOKOSA-N 303.366 -0.027 30 20 DBED CC(=O)NC1(C(=O)N2CCOC3(CN(CC#N)C3)C2)CCCC1 1755061525 VYTUNIUSXAJLRB-UHFFFAOYSA-N 320.393 -0.128 30 20 DBED C#CCNC(=O)CN[C@@H](C)[C@H](C)NC(=O)Cn1ccccc1=O 1755267151 KHHVAWCRUVKWAE-STQMWFEESA-N 318.377 -0.920 30 20 DBED COCC#CCN(C)[C@H](C)CNC(=O)[C@H]1CCc2nncn2C1 1755329574 ZYXYNMJDFWPOJM-KGLIPLIRSA-N 319.409 -0.073 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(CNC(=O)[C@H](C)NC(C)=O)[C@H]2C1 1755435793 VIJCUUSQGBMJFO-ZLKJLUDKSA-N 322.409 -0.893 30 20 DBED C#CCNC(=O)CN[C@H](C)CN(C)C(=O)Cn1nccc1C 1755605907 GYSFRIPZCCACGY-GFCCVEGCSA-N 305.382 -0.623 30 20 DBED CCn1cnc(C(=O)N2CC[C@@H](NCC(=O)NCC#N)[C@H]2C)c1 1755663766 OCHSHCONJLZMJL-VXGBXAGGSA-N 318.381 -0.265 30 20 DBED C=CCNC(=O)CN[C@@H]1C[C@H](C)N(C(=O)c2nnn(C)c2C)C1 1755672683 KYMCZFMUBPEZDQ-CMPLNLGQSA-N 320.397 -0.382 30 20 DBED CCC[C@@H](C(=O)NCC1=CCN(CC#N)CC1)S(N)(=O)=O 1755890354 FAQLLDBMNLLKKM-LBPRGKRZSA-N 314.411 -0.285 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](NC(=O)[C@@H](C)C#N)C(C)(C)C1 1756183168 JBZKLPGOJIWETR-NWDGAFQWSA-N 318.377 -0.361 30 20 DBED COC(=O)NCC(=O)N1C[C@@H]2C(CNC(=O)C#CC3CC3)[C@H]2C1 1756198264 PJSIIVOTSCYIJB-CHWSQXEVSA-N 319.361 -0.424 30 20 DBED C=CCC(C)(C)C(=O)N[C@@H](CO)CNC(=O)[C@@H]1COCCO1 1756503950 SGDRGIHOYHMCPJ-NEPJUHHUSA-N 314.382 -0.403 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H](CO)NC(=O)Cc1cc(C)on1 1756521908 YXVKLKBQYTZBPJ-DGCLKSJQSA-N 323.349 -0.843 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H](CO)CNC(=O)c1cncn1C 1756532751 MCORHTDCXSPOHW-WDEREUQCSA-N 310.354 -0.782 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@H](CO)CNC(=O)c1ncccn1 1756545190 MXODDACOFPCGOW-HZMBPMFUSA-N 308.338 -0.989 30 20 DBED C#Cc1cncc(C(=O)NC[C@H](CO)NC(=O)[C@H]2CCCO2)c1 1756548203 JSECEXJYCOBAGN-ZIAGYGMSSA-N 317.345 -0.551 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(C(=O)/C=C/C2CC2)C[C@H]1O 1756996995 BUDYCPXVQZDINN-QAMKJQMISA-N 306.362 -0.320 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(C(=O)c2nc(C)c[nH]2)C[C@H]1O 1756997506 UGJIZCYZBQMYLX-IJLUTSLNSA-N 320.349 -0.942 30 20 DBED C=CCOCC(=O)N(C)C[C@H]1CCN1C(=O)[C@H]1COCCO1 1757277904 CAMXYQGYMIJVOX-CHWSQXEVSA-N 312.366 -0.336 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)CCC(=O)OC)CCO2 1783049590 GSRJMVLMPHWKLN-HNNXBMFYSA-N 308.334 -0.597 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)Cc1cc(C)[nH]n1)CCO2 1783051875 UYTJZQJMUQHYCW-MRXNPFEDSA-N 316.361 -0.276 30 20 DBED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cn[nH]c3)[C@H]2C1 1787614610 JLXDWUMVQKEZTE-DRZSPHRISA-N 302.334 -0.364 30 20 DBED C[C@@H](S)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)COCCO)C2 1802295794 WWBIGNKVQKHGIG-WISYIIOYSA-N 316.423 -0.048 30 20 DBED CN(CCCc1n[nH]c(N)c1C#N)CCC(=O)N1CCOCC1 89942512 NXQJQNNOYHTAAM-UHFFFAOYSA-N 320.397 -0.023 30 20 DBED C[C@H](CC#N)OC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 113685809 TWVJGYCHFGAZFU-MRVPVSSYSA-N 305.294 -0.721 30 20 DBED CNC(=O)CCN(C)C(=O)CNC(=O)c1ccc(C#N)cc1 171481638 QIZLALKVIYKKLU-UHFFFAOYSA-N 302.334 -0.117 30 20 DBED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCNCC2)s1 230369156 IAOZOOZMDITEOI-UHFFFAOYSA-N 314.392 -0.670 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(C)C[C@@H]2CCC[C@@H]2O)C1=O 270165995 ZGOPSWBWUNVHSQ-QWRGUYRKSA-N 323.349 -0.417 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@@H](CC)COC)C1=O 284188813 QWYBHMLMXRPIAT-NWDGAFQWSA-N 311.382 -0.227 30 20 DBED Cn1c(NCCC2(O)CCOCC2)c(C#N)c(=O)n(C)c1=O 286281687 ICKOZZHCVPSKJC-UHFFFAOYSA-N 308.338 -0.701 30 20 DBED C[C@H]1OCCN(S(=O)(=O)Cc2ccc(C#N)cc2)[C@@H]1C(N)=O 289219513 QTVQVRDDEIEXMO-MFKMUULPSA-N 323.374 -0.037 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1C[C@@H](C)S(=O)(=O)[C@H](C)C1 289725768 ZHIFGCYVCXUYKQ-MXWKQRLJSA-N 317.411 -0.106 30 20 DBED C=C[C@@H](CO)NC(=O)c1ccnc(C(=O)N[C@H](C=C)CO)c1 290719053 XMLNWBYZBQZNEU-NWDGAFQWSA-N 305.334 -0.365 30 20 DBED C#CCN(C)CCCNC(=O)Cn1nc2ccccn2c1=O 293987848 NMERYFJYANRJNP-UHFFFAOYSA-N 301.350 -0.433 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1CCC[C@H](c2n[nH]c(=O)o2)C1 295138790 DIFQKLKBWHAKFP-UWVGGRQHSA-N 323.353 -0.057 30 20 DBED C[C@H](O)CN1CCN(/C(O)=N/C[C@H]2CC(=O)N(C3CC3)C2)CC1 329520363 FINICQIYCGWMDO-QWHCGFSZSA-N 324.425 -0.090 30 20 DBED COCCN1CN(S(=O)(=O)c2cnc(C)c(C#N)c2)CC1=O 330225694 UATJAQFACYRXQR-UHFFFAOYSA-N 324.362 -0.302 30 20 DBED COC(=O)[C@H](CSCC(=O)NC1(C#N)CCC1)NC(C)=O 340704669 OWZHVLLZAJZZET-JTQLQIEISA-N 313.379 -0.040 30 20 DBED COC(=O)[C@H](CNC(=O)C(=O)Nc1cccc(C#N)c1)OC 342260402 CWLVVMPGOFXOEN-NSHDSACASA-N 305.290 -0.199 30 20 DBED COC(=O)[C@H](CO)NS(=O)(=O)Cc1cc(C#N)ccc1F 342338792 DEMOTLALZZMDRW-NSHDSACASA-N 316.310 -0.349 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)CCOCCOC)CC1 344204138 BQDAVLWEKUPQCG-UHFFFAOYSA-N 313.398 -0.514 30 20 DBED CC[C@@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N(C)C 349572409 HPMRLVXDNMFGQE-JTQLQIEISA-N 311.429 -0.168 30 20 DBED C=CCC[C@H](O)CN[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 351233056 YWMPZKVKGWMTLN-BFHYXJOUSA-N 318.439 -0.599 30 20 DBED CNS(=O)(=O)[C@@H]1CCN(CC(=O)N[C@](C)(C#N)C(C)C)C1 366719970 NXFPOWPDHZGGDT-DGCLKSJQSA-N 316.427 -0.336 30 20 DBED C=C(C)COCCNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C 419405277 SLBNVBJRQHRLLN-NWDGAFQWSA-N 313.398 -0.076 30 20 DBED CN1C[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CC1=O 443038320 PUVDQYJVVSAZKS-MRVPVSSYSA-N 324.318 -0.025 30 20 DBED C#CCNS(=O)(=O)c1cccc(C(=O)Nc2nn[nH]n2)c1 490652677 ZUQHNFDQVJBYEC-UHFFFAOYSA-N 306.307 -0.637 30 20 DBED N#Cc1cccc(NC(=O)C(=O)N2CCSC[C@H]2CO)n1 576106262 VBLAXVOMDKVLMQ-SNVBAGLBSA-N 306.347 -0.172 30 20 DBED N#Cc1cccc(C(=O)NCCN2CCS(=O)(=O)CC2)n1 589310097 BACYWYOQTBPMHN-UHFFFAOYSA-N 308.363 -0.587 30 20 DBED COC(=O)[C@H]1C[C@@H](O)CN(C(=O)NC2CCN(CC#N)CC2)C1 591952035 PGGAXJJGYJSDGB-WCQYABFASA-N 324.381 -0.460 30 20 DBED C=CCC[C@@H](NC(=O)CC[C@@H]1NC(=O)NC1=O)C(=O)OCC 597732492 ITQZJEFRVZMKSP-VHSXEESVSA-N 311.338 -0.011 30 20 DBED COC(=O)CCNC(=O)CCNc1ncc([N+](=O)[O-])cc1C#N 599170657 OCHLAEAWDKWBPZ-UHFFFAOYSA-N 321.293 0.343 30 20 DBED N#CCNC(=O)CNC(=O)[C@@H]1CCN(C(=O)c2ccccc2)C1 599934613 RUBGQQHEAKBWRZ-CYBMUJFWSA-N 314.345 -0.095 30 20 DBED CN1CCN(C[C@@H](O)COc2ccc(C#N)cc2)[C@H](CO)C1 602904066 LBEVLJDAEDXRLG-LSDHHAIUSA-N 305.378 -0.094 30 20 DBED CN(C)C(=O)CN1CCN(S(=O)(=O)CCCCC#N)CC1 610738555 HUXQNANMPIZJTI-UHFFFAOYSA-N 316.427 -0.284 30 20 DBED CC#CC[C@@H](CO)NC(=O)CNS(=O)(=O)c1cccnc1 649238747 ISMWEVAAWAWCNS-NSHDSACASA-N 311.363 -0.750 30 20 DBED C#CCCCS(=O)(=O)NC1CCN(S(C)(=O)=O)CC1 710090137 KNRCQHOIKPFIER-UHFFFAOYSA-N 308.425 -0.257 30 20 DBED C[C@]1(c2ccccn2)NC(=O)N(CC(=O)NCCC#N)C1=O 728159297 DTEDKQDCGFIXGZ-CQSZACIVSA-N 301.306 -0.122 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)OCc2noc(CC)n2)C1=O 733477717 OEVVNRNNFXNZEG-UHFFFAOYSA-N 322.277 -0.348 30 20 DBED CC(C)(C#N)CS(=O)(=O)NC(=O)[C@H]1CC(=O)N(C2CC2)C1 776144733 UGMYHXBNNJCERV-VIFPVBQESA-N 313.379 -0.007 30 20 DBED C[C@@H]1C(=O)N(C)CCN1C(=O)C(=O)Nc1cnn(CC#N)c1 784784549 ORUZXPGBHCKJBS-SECBINFHSA-N 304.310 -0.966 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCO[C@@H](COC)C1)[C@H]1CCCO1 809307740 HEPBSTDDTDBVON-FRRDWIJNSA-N 310.350 -0.843 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCN(C(C)=O)C[C@H]1C)[C@H]1CCCO1 809308325 HNNRYMQKTBQGRM-KWCYVHTRSA-N 321.377 -0.637 30 20 DBED C#CCC[C@H](O)CNC(=O)CNS(=O)(=O)c1cccnc1 811494143 RDUGOLDHQFNWII-NSHDSACASA-N 311.363 -0.750 30 20 DBED O=C(Cc1ccc(-n2cnnn2)cc1)N[C@@H]1CCCN(O)C1=O 816753818 PWJYIGDUDRHCEQ-GFCCVEGCSA-N 316.321 -0.299 30 20 DBED CC(=NNC(=S)NCC(N)=O)c1ccc(-c2nn[nH]n2)s1 823953485 CEEWSMIYGNHKQK-UHFFFAOYSA-N 324.395 -0.398 30 20 DBED N#Cc1ncn(Cc2nnnn2-c2ccccc2)c1-c1nn[nH]n1 826388002 DGZHBVLFAQRZOU-UHFFFAOYSA-N 319.292 -0.041 30 20 DBED C#CC[C@H](CO)NC(=O)[C@@H](C)[C@@H](C)C(=O)N[C@@H](CO)CC#C 854541825 JKACAKAQERCPOZ-XJFOESAGSA-N 308.378 -0.741 30 20 DBED CON(C)C(=O)[C@@H](C)NC(=O)N1CCN(C2CC2)[C@H](C#N)C1 858993199 PUMIMWAFPIOYOZ-ZYHUDNBSSA-N 309.370 -0.224 30 20 DBED N#Cc1cccc(CNCCS(=O)(=O)N2CCOCC2)n1 877022479 WCZGWNMRQFAJKM-UHFFFAOYSA-N 310.379 -0.295 30 20 DBED C#CCNC(=O)CN1CCCN(c2c([N+](=O)[O-])cnn2C)CC1 892515428 QTDXQSGENYELSA-UHFFFAOYSA-N 320.353 -0.410 30 20 DBED Cc1ccc(S(N)(=O)=O)c(C(=O)NCC#CCN(C)C)c1 913520277 LBAHCBUJAYUECV-UHFFFAOYSA-N 309.391 -0.063 30 20 DBED C#CCN1CCC[C@H](NC(=O)C2=C(C)N(C)c3nnnn3C2)C1 923561548 FSXSZWRUFGMTAT-LBPRGKRZSA-N 315.381 -0.389 30 20 DBED C[C@@]1(NC(=O)C(F)(F)F)CCN(C(=O)NCC#CCO)C1 923761709 WDIOJFIVNITOFI-LLVKDONJSA-N 307.272 -0.165 30 20 DBED C#CCN1CCN(C(=O)CN2CC[C@H](C3OCCO3)C2)CC1 932005034 LILONKWBPYYFHG-AWEZNQCLSA-N 307.394 -0.541 30 20 DBED Cn1cnc(CNC(=O)C(=O)N2CCN(CCC#N)CC2)c1 933873025 KCXYQPSJIGCEKN-UHFFFAOYSA-N 304.354 -0.906 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](NC(=O)c2nnn(C)n2)[C@H](C)C1 939116696 RIXURRZOXFULCQ-NXEZZACHSA-N 306.370 -0.001 30 20 DBED O=C(NC[C@@H]1CN(C(=O)C#CC2CC2)CCO1)c1cn[nH]c1 944493418 ZTHSHPNTCMLNEF-CYBMUJFWSA-N 302.334 -0.220 30 20 DBED N#Cc1ccc(C(=O)N2C[C@H]3C[C@H]2[C@H]3NC(=O)c2cnon2)[nH]1 947823205 VQCHOHWRHWXJOY-MKCWBWRRSA-N 312.289 -0.088 30 20 DBED C=CCN1CCOC2(CCN(C(=O)[C@H]3COC(=O)N3)CC2)C1 949355708 VGRYMCBPBUWCCC-GFCCVEGCSA-N 309.366 -0.026 30 20 DBED O=C1NCC[C@@H]1C(=O)N[C@@H]1CCCN(C(=O)C#CC2CC2)C1 950761794 NSOFJUCCQNOTDO-OLZOCXBDSA-N 303.362 -0.357 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@](C)(NC(=O)c2c[nH]c(=O)cn2)C1 957446287 DWTJTFSNAOGOQP-LKFCYVNXSA-N 303.322 -0.350 30 20 DBED C#CCCN1C[C@H]2[C@H](NC(=O)[C@@H]3CCCN(C(N)=O)C3)[C@H]2C1 960891153 AFLRDWQGVBKTBH-MQYQWHSLSA-N 304.394 -0.153 30 20 DBED C#Cc1ccc(C(=O)NC2[C@@H]3CN([C@H]4CCN(C)C4=O)C[C@@H]23)cn1 962327472 SRPRXVDSYRKJPW-KFWWJZLASA-N 324.384 -0.046 30 20 DBED C=C1CCC(C(=O)NC[C@H]2COCCN2C(=O)C(N)=O)CC1 964333044 ZNIGLHJEQGEJFS-LBPRGKRZSA-N 309.366 -0.438 30 20 DBED C=C[C@](C)(CC)C(=O)N1CC2(C[C@H](NC(=O)C(N)=O)CO2)C1 965793275 ZJOFCFJGYXFSGM-IINYFYTJSA-N 309.366 -0.440 30 20 DBED CCc1nn(C)cc1C(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1O 966882381 OCKKNTWASDOUOR-BIMULSAOSA-N 319.365 -0.556 30 20 DBED C=CCN1CC[C@@H](N[C@@H]2CCN(C(=O)c3cn(C)nn3)C2)C1=O 968575865 KWPTVIXQIXDCIU-VXGBXAGGSA-N 318.381 -0.594 30 20 DBED C=CCCN1CC[C@@H](C)[C@@H](NC(=O)CN2C(=O)CNC2=O)C1 968628424 YIHFDGBOQBXYDB-NEPJUHHUSA-N 308.382 -0.059 30 20 DBED C[C@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)c1cnn(C)c1N)C2 969805085 JDBGSTNAPYLHKD-VWYCJHECSA-N 316.365 -0.023 30 20 DBED C#CCN1CC([C@H](C)NC(=O)[C@H]2CCc3nnnn3CC2)C1 970457672 MXWIWDBGZCTESN-RYUDHWBXSA-N 302.382 -0.305 30 20 DBED C=CCCN1CCO[C@]2(CCN(C(=O)[C@H]3COC(=O)N3)C2)C1 972357511 LBKSHNGTPTYUHQ-IUODEOHRSA-N 309.366 -0.026 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]1CN(C)C(=O)c1cnn(C)c1N 977619949 KPFOTIXMEZNACD-ZJUUUORDSA-N 304.354 -0.165 30 20 DBED C[C@H](NCc1cnnn1C)[C@H]1CN(C(=O)C#CC2CC2)CCO1 979329372 IHRUMHTXUGYRCF-SWLSCSKDSA-N 317.393 -0.066 30 20 DBED C#CCN1CCCN(C(=O)c2ccc(S(N)(=O)=O)o2)CC1 981542586 RHULTAPHOLOYEM-UHFFFAOYSA-N 311.363 -0.292 30 20 DBED C=CCN[C@H]1C[C@H](C)N(C(=O)Cn2ncn3nccc3c2=O)C1 989511943 VOBDNBAJWMAZKY-RYUDHWBXSA-N 316.365 -0.344 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CCCN2C)C1 994751018 LHXPSHJFMHOKPS-GJZGRUSLSA-N 318.421 -0.495 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@]2(CN(C(=O)c3nc[nH]n3)CCO2)C1 1007710446 HQDFRMJRDJNKQJ-YGRLFVJLSA-N 318.337 -0.592 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2C(CNC(=O)c3cnc(O)n3C)[C@@H]2C1 1009333761 FTCOWZMTBAJMDU-MIMYLULJSA-N 317.349 -0.280 30 20 DBED CC#CCN1CCC[C@@H](NC(=O)[C@H]2CN(C(C)=O)CCO2)C1 1009381226 BMFDJLCDGMOLFB-HUUCEWRRSA-N 307.394 -0.162 30 20 DBED O=C1CC[C@@H](CC(=O)N2CCN(C(=O)C#CC3CC3)CC2)CN1 1011110252 RLRJQQDOZUBDLY-AWEZNQCLSA-N 317.389 -0.013 30 20 DBED Cc1ncnc(O)c1C(=O)N1CCN(C(=O)[C@H](C)C#N)CC1 1012107749 UNKGWIQYMSSCMM-SECBINFHSA-N 303.322 -0.065 30 20 DBED Cc1c(C(=O)NC2[C@H]3CN(C(=O)C#CC4CC4)C[C@H]23)nnn1C 1012904012 HKBXWLBAMASIRB-RYUDHWBXSA-N 313.361 -0.276 30 20 DBED C=CCCN1CC[C@H](NC(=O)C2CC3(C2)NC(=O)NC3=O)C1 1015831374 STPLNZRZTNZODA-VTWZXRTESA-N 306.366 -0.259 30 20 DBED C=CCN1CC[C@H](N[C@H]2CCN(C(=O)c3cnn(C)n3)C2)C1=O 1019509899 UJJRTFLQIBEHGQ-RYUDHWBXSA-N 318.381 -0.594 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)CN2CCCNC2=O)[C@@H]1C 1020535537 LPZNRAWAVXVJNU-SRVKXCTJSA-N 321.381 -0.333 30 20 DBED C=C(Cl)CN[C@H]1C[C@@H](NC(=O)CN2CCNC(=O)C2)C1 1022536637 ZLXIYIOFQBLKIS-PHIMTYICSA-N 300.790 -0.593 30 20 DBED CC[C@@H](F)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 1023437193 MXFZOYMUKRTVFO-YUSALJHKSA-N 308.313 -0.064 30 20 DBED C#CCCN1CC[C@@H](N(CC)C(=O)[C@H]2CCS(=O)(=O)N2)C1 1034043385 DWZRNRXHQHUTSD-CHWSQXEVSA-N 313.423 -0.376 30 20 DBED C#CCCN1CCO[C@H](CNC(=O)c2nc3ncccn3n2)C1 1035549934 ZSLAQJBGUZDAKP-GFCCVEGCSA-N 314.349 -0.422 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(CC1)CN([C@H]1CCC(=O)NC1=O)C2 1035671553 SRBXOBBDRRZETR-RYUDHWBXSA-N 318.377 -0.124 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCN1CCn1cncn1 1038366484 IBBGRTCDWKYKQO-GJZGRUSLSA-N 316.409 -0.434 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@@](O)(CNC(=O)C#CC(C)C)C1 1039667577 FQUMDEUVEZCGSM-RHSMWYFYSA-N 320.389 -0.236 30 20 DBED C=CCCOCC(=O)NC[C@@]1(O)CCN(C(=O)[C@H](C)OC)C1 1040155248 CDTGVGKOSXCNDM-WFASDCNBSA-N 314.382 -0.306 30 20 DBED C=CCO[C@@H](C)C(=O)NC[C@]1(O)CCN(C(=O)C(F)F)C1 1040160282 CNHMKSQOUQRMBU-TVQRCGJNSA-N 306.309 -0.078 30 20 DBED C=CCOCC(=O)N1CC[C@](O)(CNC(=O)c2cncn2C)C1 1040235026 MCWLMGNKKLPUFD-HNNXBMFYSA-N 322.365 -0.684 30 20 DBED C#CCCCC(=O)N1CC[C@@](O)(CNC(=O)[C@@H](C)CC(N)=O)C1 1040474631 BBEYYOGBEUMHFF-BLLLJJGKSA-N 323.393 -0.619 30 20 DBED C#CCOCCC(=O)N1CC[C@](O)(CNC(=O)CCCF)C1 1040569005 QDWIMXHPDYHQCR-HNNXBMFYSA-N 314.357 -0.144 30 20 DBED Cn1nncc1C(=O)N1CC[C@H]2CN(c3ccnc(C#N)n3)C[C@H]21 1040602901 HWPVPEIKLVBBGE-CMPLNLGQSA-N 324.348 -0.172 30 20 DBED C=CCCC(=O)N1CC[C@](O)(CNC(=O)c2cn(C)c(O)n2)C1 1040805294 WGTWURLWYUZLCZ-HNNXBMFYSA-N 322.365 -0.215 30 20 DBED N#Cc1nccc(N2C[C@@H](O)[C@H](NC(=O)c3cocn3)C2)n1 1040950612 LYKROWYHVJDENY-PSASIEDQSA-N 300.278 -0.684 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)[C@H](CC)OCC)C1 1041822605 GSCQLKJZRUSBTG-LBPRGKRZSA-N 314.382 -0.306 30 20 DBED CO[C@@H](C)CC(=O)NCC1(O)CN(C(=O)CSCC#N)C1 1041933022 MPWHOYUFYJLBFG-JTQLQIEISA-N 315.395 -0.642 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)CCc2nc[nH]n2)C1 1042415463 GESDROICDJDKRT-UHFFFAOYSA-N 307.354 -0.607 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(O)CN(C(=O)c2cc[nH]c2C)C1 1042806331 FAXRZJCDYZZYGA-HNNXBMFYSA-N 321.377 -0.047 30 20 DBED C=CCC(C)(C)C(=O)NCC1(O)CN(C(=O)c2cn(C)nn2)C1 1043060994 YMWFDDFHTADTDL-UHFFFAOYSA-N 321.381 -0.280 30 20 DBED N#Cc1nccnc1N1C[C@H](O)[C@H](NC(=O)c2nccs2)C1 1044136178 FGFBERLGLLQAGJ-ZJUUUORDSA-N 316.346 -0.216 30 20 DBED Cc1conc1C(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1044171301 CJKWCOFGZCQKOH-MNOVXSKESA-N 314.305 -0.376 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)Cn2ccnc2)C1 1044464463 PFYNCMQCAXZSCG-UHFFFAOYSA-N 306.366 -0.215 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCO[C@H]2C)C1 1045292666 IOOUVTMUQITBDM-NWDGAFQWSA-N 312.366 -0.697 30 20 DBED C#CCN1CC[C@H](N2CCN(C(=O)c3n[nH]c(C)c3O)CC2)C1 1046023531 OXQUWLWAODDFIC-ZDUSSCGKSA-N 317.393 -0.111 30 20 DBED C=C1CC(C)(C(=O)NCC2(O)CN(C(=O)[C@H]3CCC(=O)N3)C2)C1 1046307853 ZTLLMWGEXBCHNO-LLVKDONJSA-N 321.377 -0.689 30 20 DBED Cc1conc1C(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1046559629 BLVWMTKYPWGTEQ-UHFFFAOYSA-N 303.318 -0.300 30 20 DBED N#Cc1cc(C(=O)N2CC(O)(CNC(=O)[C@@H]3CC34CC4)C2)c[nH]1 1047140820 LRUFYRZHZSWDED-LBPRGKRZSA-N 314.345 -0.010 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)Cc2ccc[nH]2)C[C@@H]1O 1049401289 DCHWNPFEHBLEQA-DRZSPHRISA-N 304.350 -0.253 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)[C@H]1CCCS(=O)(=O)C1 1051145040 FNFNUJNRXNPXCI-STQMWFEESA-N 314.407 -0.739 30 20 DBED N#Cc1cnccc1N1CC[C@H](NC(=O)c2cnon2)[C@@H](O)C1 1051719997 WCKAZMVADPSIED-GWCFXTLKSA-N 314.305 -0.294 30 20 DBED C#CCCN1CCN([C@@H]2CCN(C(=O)[C@H]3COC(=O)N3)C2)CC1 1052019299 XZTOJRGQPAQFKN-ZIAGYGMSSA-N 320.393 -0.663 30 20 DBED COC(=O)NCC(=O)N1C[C@@H](C)[C@@H](CNC(=O)C#CC2CC2)C1 1052110388 RUFNWBAZSDJDPO-YPMHNXCESA-N 321.377 -0.034 30 20 DBED C#CCCN1CCC[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)CC1 1052922120 NLCNYFIJXPSIJA-CYBMUJFWSA-N 320.393 -0.126 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)c1cc(OC)n(C)n1)CCO2 1053336101 PTUKCWVIUGJUQX-UHFFFAOYSA-N 318.377 -0.021 30 20 DBED C#CCCCC(=O)N1C[C@H]2CN(C(=O)CCNC(N)=O)C[C@H]2C1 1055313008 XOHFESRRMNCXIP-BETUJISGSA-N 320.393 -0.235 30 20 DBED NC(=O)NCCC(=O)N1C[C@H]2CN(C(=O)C#CC3CC3)C[C@H]2C1 1055332385 QVANIGZTCYTZJQ-BETUJISGSA-N 318.377 -0.625 30 20 DBED N#Cc1cccnc1N1CCN(C(=O)[C@H]2CNC(=O)N2)CC1 1055998323 CCGICUNULGSQKV-LLVKDONJSA-N 300.322 -0.717 30 20 DBED N#Cc1cncc(N2CCN(C(=O)[C@H]3CCC(=O)NC3)CC2)n1 1056079434 OQODNYGRYKRKGS-NSHDSACASA-N 314.349 -0.477 30 20 DBED N#Cc1nccnc1N1C[C@@H]2C(NC(=O)Cc3cc[nH]n3)[C@H]2C1 1056163942 SEYARKHOINGEPB-QWRGUYRKSA-N 309.333 -0.135 30 20 DBED N#CCSCC(=O)N1CC[C@@H]2[C@H]1CCCN2C(=O)CC(N)=O 1056326161 YALUKKCBWSIQCL-GHMZBOCLSA-N 324.406 -0.290 30 20 DBED C=CCOCC(=O)N1C[C@@H]2CCCN(C(=O)CNC(C)=O)[C@@H]2C1 1056586656 UBQSGWGQOIIXKF-UONOGXRCSA-N 323.393 -0.226 30 20 DBED C=C[C@H](C)[C@@H](C)C(=O)NCCN(CCO)C(=O)CNC(C)=O 1056817302 MOYKHMNLFYIWHL-NWDGAFQWSA-N 313.398 -0.482 30 20 DBED C#CCOCCC(=O)NCCN(CCO)C(=O)[C@@H]1CCCO1 1056895530 BUWXUUPQAUBQIZ-ZDUSSCGKSA-N 312.366 -0.858 30 20 DBED Cn1nnc(C(=O)N2CCCN(c3ccc(C#N)cn3)CC2)n1 1057212097 SEORZRUJNJQQMS-UHFFFAOYSA-N 312.337 -0.171 30 20 DBED N#Cc1nc(=NC2CCN(C(=O)[C@H]3CCNC3=O)CC2)cc[nH]1 1057398544 AKCGVISNYSCDIG-NSHDSACASA-N 314.349 -0.691 30 20 DBED C#CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)Cc1ccoc1 1057418569 CIXFQWAMSKSSLR-ZDUSSCGKSA-N 322.361 -0.203 30 20 DBED C#CCO[C@H](C)C(=O)N(CCO)CCNC(=O)c1n[nH]cc1C 1057583511 RZCZEWLVSBINMS-GFCCVEGCSA-N 322.365 -0.693 30 20 DBED Cn1nncc1C(=O)N[C@@H]1CCCN(c2cncc(C#N)n2)C1 1058152403 RYQJNHBWTPQZFF-SNVBAGLBSA-N 312.337 -0.124 30 20 DBED C#CCOCCC(=O)NCCN(CCO)C(=O)c1c[nH]nc1C 1058270677 OXRJWXSMXYMTCA-UHFFFAOYSA-N 322.365 -0.691 30 20 DBED Cc1ccc(C#N)c(N2CC[C@@H](NC(=O)[C@H]3CNC(=O)N3)C2)n1 1058531490 QPMUCMDFCFSDIS-VXGBXAGGSA-N 314.349 -0.362 30 20 DBED N#Cc1cncc(N2CC[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)n1 1058545564 ZNIRGXRNEAQFNR-GDPRMGEGSA-N 300.322 -0.835 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@@H]1CCN(C(=O)C(F)F)C1 1058980684 RZLPAKQUOHEZFC-SNVBAGLBSA-N 315.320 -0.254 30 20 DBED N#Cc1cnc(N[C@H]2C[C@H](NC(=O)[C@H]3COCCO3)C2)cn1 1059161630 VDHXSBFNBXSBHA-CKYFFXLPSA-N 303.322 -0.177 30 20 DBED Cc1cc(C#N)nc(N[C@H]2C[C@H](NC(=O)[C@H]3CCC(=O)N3)C2)n1 1059170851 VCTNJVLKPAYLEM-CKYFFXLPSA-N 314.349 -0.006 30 20 DBED N#Cc1c[nH]c(C(=O)NCC[C@@H]2CCN(C(=O)C(N)=O)C2)c1 1060271953 ZTUZMYAUKKLDJP-SECBINFHSA-N 303.322 -0.660 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)CC1(O)CCC1 1061561826 AVSSPQFLTKQNQV-VXGBXAGGSA-N 309.366 -0.205 30 20 DBED COC(=O)NCC(=O)N1CCCC[C@@H]1CNC(=O)[C@H](C)C#N 1062033911 WJCIURMXYVPSPN-GHMZBOCLSA-N 310.354 -0.001 30 20 DBED CN(C(=O)c1cnnn1C)[C@@H]1CCN(c2ccc(C#N)nn2)C1 1062928617 MMDVTJYPRIILJZ-LLVKDONJSA-N 312.337 -0.172 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)[C@H]2CCC(=O)NC2)CCC1 1064310680 ONLYLFUJSFGDDF-QWRGUYRKSA-N 306.366 -0.173 30 20 DBED C=CCCO[C@H](C)C(=O)N1CCO[C@@H](CNC(=O)COC)C1 1064941123 FHSHAXKXFUHURC-OLZOCXBDSA-N 314.382 -0.042 30 20 DBED N#Cc1cnc(N2C[C@H]3C[C@H](NC(=O)C(N)=O)CC[C@H]3C2)cn1 1068268332 XQJQYSXUBHZMKO-HBNTYKKESA-N 314.349 -0.445 30 20 DBED C=CCOCC(=O)N1CC2(C[C@@H](NC(=O)c3cnco3)CO2)C1 1068936738 JOGBAPMVXKSVNF-LLVKDONJSA-N 321.333 -0.023 30 20 DBED Cc1cc(CC(=O)N2C[C@H](n3ccnn3)[C@H](NCC#N)C2)n[nH]1 1070174616 YZBWUFGNYLHREO-OLZOCXBDSA-N 314.353 -0.583 30 20 DBED C=CCN[C@@H]1CN(C(=O)CN2CCOCC2)C[C@@H]1n1ccnn1 1070179007 UTDKHYMJBUVEHA-KGLIPLIRSA-N 320.397 -0.862 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(=O)NCCN(Cc2cnon2)CC1 1070948521 PVEBJLNCIDWHTQ-NSHDSACASA-N 320.353 -0.620 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)[C@H]2CCOC[C@@H]2C)CC1 1070996560 XOMDTSHXTBBFEN-GJZGRUSLSA-N 321.421 -0.057 30 20 DBED C[C@H]1CN(C(=O)CN2CCOCC2)C[C@@]2(CCN(CC#N)C2)O1 1071156825 NNDAMLNNRPZHLQ-HOCLYGCPSA-N 322.409 -0.466 30 20 DBED C=CCOCC(=O)N1C[C@@H](C)[C@@H](NC(=O)c2cn(C)nn2)C1 1071808604 JJMDQEUNHBHAIV-MNOVXSKESA-N 307.354 -0.406 30 20 DBED C#CCOCCC(=O)N[C@H]1CN(C(=O)CNC(=O)CC)C[C@@H]1C 1071822511 GUIFDIWUXGBXKU-STQMWFEESA-N 323.393 -0.484 30 20 DBED C#CCC1(C(=O)N[C@@H]2CN(C(=O)C(N)=O)C[C@@H]2C)CCOCC1 1072639419 WLVRSPSFXFMTAN-NWDGAFQWSA-N 321.377 -0.745 30 20 DBED C=CCCC(=O)N[C@H]1CN(C(=O)CN2C(=O)CNC2=O)C[C@@H]1C 1072772527 HMESPDFFFRNKBF-QWRGUYRKSA-N 322.365 -0.533 30 20 DBED C#CCN1CCC2(C1)CN(C(=O)CCc1nnc(O)nc1O)C2 1072894486 UDEYHYABJPWJLZ-UHFFFAOYSA-N 317.349 -0.617 30 20 DBED C=CCN1CCO[C@@H]2CCN(C(=O)c3nnc(O)nc3O)C[C@H]21 1074285903 JHVIOZXMGVPDKQ-NXEZZACHSA-N 321.337 -0.616 30 20 DBED Cn1ccc(=O)c(C(=O)N2CC[C@@H]3OCCN(CC#N)[C@@H]3C2)c1 1074291841 LXDADWRQHCYUCI-HIFRSBDPSA-N 316.361 -0.176 30 20 DBED N#CCN1CCO[C@H]2CCN(C(=O)Cn3ccccc3=O)C[C@H]21 1074408665 ZSGJBEXRQQNWJV-KGLIPLIRSA-N 316.361 -0.326 30 20 DBED C[C@@H](CCNC(=O)[C@H]1CN(C)CCO1)NC(=O)C#CC1CC1 1076027007 CNVNMPNQHRFCHM-GXTWGEPZSA-N 307.394 -0.259 30 20 DBED C#CCN1C[C@@H]2CCN(C(=O)[C@H]3CCc4nnnn4CC3)[C@@H]2C1 1076267727 GVPQETVDPYKMGZ-MELADBBJSA-N 314.393 -0.209 30 20 DBED CC(C)C#CC(=O)NCC[C@H](C)NC(=O)Cn1cnnc1O 1076411323 CQWNDZHYDDPIKE-NSHDSACASA-N 307.354 -0.346 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)c2ccc3nn[nH]c3n2)C1 1077095757 IEAVFKHRNKLCES-VXGBXAGGSA-N 300.322 -0.849 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H](C)CCNC(=O)CCCC(N)=O 1077180115 JYKHRPCLAYAIMI-RYUDHWBXSA-N 311.382 -0.309 30 20 DBED C[C@@H](C#N)C(=O)N1CCCO[C@H](CNCc2cnn(C)n2)C1 1078357727 AQZSLGHFNQRVBZ-WCQYABFASA-N 306.370 -0.318 30 20 DBED C[C@H](C#N)C(=O)N1CCCO[C@@H](CNCc2cnnn2C)C1 1078358506 QUOLKLCBCAVRSE-YPMHNXCESA-N 306.370 -0.318 30 20 DBED C[C@H](C#N)C(=O)NC1(CO)CCN(C(=O)CCN(C)C)CC1 1080982191 VQRGINCFKONZSS-GFCCVEGCSA-N 310.398 -0.433 30 20 DBED C=CCCOCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)COC)C1 1081167806 ZOUXMCAYPUNOBG-NWDGAFQWSA-N 300.355 -0.839 30 20 DBED CC#CCCCC(=O)N1C[C@H](CNC(=O)CNC(C)=O)[C@@H](O)C1 1081202971 WVLBUYHWQQIMKI-KBPBESRZSA-N 323.393 -0.748 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@H]1CN(C(C)C)CCO1 1082064497 YLMAOWPQWJHBLB-MGPQQGTHSA-N 310.398 -0.565 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cn(C)c(O)n1 1083183701 QZLGOQUBZOYFDC-QWHCGFSZSA-N 304.350 -0.326 30 20 DBED C#Cc1ccc(C(=O)N2CCO[C@@H]3CN(CCCO)C[C@@H]32)nc1 1083251988 RIJYHQADVWWWCU-JKSUJKDBSA-N 315.373 -0.030 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1ccc(C(N)=O)cn1 1083290081 HAPNEPOLSOSFRV-UONOGXRCSA-N 314.345 -0.661 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)c2ccc3c(c2)NC(=O)C3)C1 1083485848 VCPDHPVWMMTIKI-CABCVRRESA-N 313.357 -0.021 30 20 DBED CC(C)(C)N1C[C@H](C(=O)N[C@@H]2CN(CC#N)C[C@@H]2O)CC1=O 1083504982 WUVMQOJWBDXFIT-UTUOFQBUSA-N 308.382 -0.682 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCCNC2=O)C1 1083542257 QHUDLDAIMSVRBD-MXWKQRLJSA-N 301.774 -0.574 30 20 DBED C=CCN1CC[C@@H]2CN(C(=O)CN3CCCS3(=O)=O)[C@@H]2C1 1084388937 LSVMNHZUAUGZSF-CHWSQXEVSA-N 313.423 -0.259 30 20 DBED CC#CCN1CC[C@H]1CN(C)C(=O)c1cc(=O)n2[nH]cnc2n1 1085924816 HRQVWEGMPGEAGU-NSHDSACASA-N 314.349 -0.413 30 20 DBED C#CCN1CC[C@H](NC(=O)CN2CCCCS2(=O)=O)[C@H]1C 1088750912 PHXVBTFIKVZPMP-OLZOCXBDSA-N 313.423 -0.376 30 20 DBED CCN(c1ccnc(C#N)n1)[C@H](C)CNC(=O)Cn1cnnn1 1089585050 LVZSAUMWWINOJZ-SNVBAGLBSA-N 315.341 -0.634 30 20 DBED C#CCN1CC[C@H](NC(=O)Cn2cc(C3CC3)nn2)[C@H](O)C1 1090320323 WMDZJRJBVLEMIK-GXTWGEPZSA-N 303.366 -0.660 30 20 DBED N#CCN1CC[C@H](NC(=O)C23CCCN(CCC2)C3)[C@H](O)C1 1090356740 YAYPSSHKIDIMJT-UONOGXRCSA-N 306.410 -0.063 30 20 DBED CO[C@@H](C)CC(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1O 1090396240 ZOHZCVBDJSKYTD-MVWJERBFSA-N 305.338 -0.561 30 20 DBED N#CCN1CC[C@H](NC(=O)c2nnc3ccccc3n2)[C@@H](O)C1 1090431875 FDGAOJIYCWMYNM-STQMWFEESA-N 312.333 -0.287 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(c2nccnc2F)C[C@H]1O 1090445928 UCPHGWWMECUAPM-GHMZBOCLSA-N 310.329 -0.126 30 20 DBED COCC(C)(C)C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1O 1090502443 WHFADXRIIHJXLE-GHMZBOCLSA-N 319.365 -0.313 30 20 DBED CO[C@@H](C)C(=O)N[C@@H]1CN(c2ccc(C#N)c(C)n2)C[C@@H]1O 1091067682 MZIAFYOEIPLPHB-UHTWSYAYSA-N 304.350 -0.038 30 20 DBED CCCOCC(=O)N[C@H]1CCN(c2ccc(C#N)nn2)C[C@H]1O 1092142338 HBDRUCXDBAILEG-QWHCGFSZSA-N 319.365 -0.169 30 20 DBED CC(C)[C@H]1N(C(=O)c2nc[nH]n2)C[C@]12C[C@@H](O)[C@H](NCC#N)C2 1093469600 IROAVOGGXZPICX-BLTAXRJOSA-N 318.381 -0.092 30 20 DBED N#Cc1ccc(NCCNC(=O)[C@H]2CN3CCC[C@@H]3CO2)nn1 1094203170 LULBQLMRYWXGBA-CHWSQXEVSA-N 316.365 -0.260 30 20 DBED C#CCN1CC(n2cc(CNC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)nn2)C1 1094321953 VZAWIALBZSHRCB-KFWWJZLASA-N 315.377 -0.048 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)Cc3cncnc3)CC2=O)C1 1094729554 GSGHRDLVXRMWAH-CYBMUJFWSA-N 313.361 -0.946 30 20 DBED CCS(=O)(=O)CC(=O)N1CC[C@@H](N=c2cc[nH]cc2C#N)C1 1095043126 NSZWNVGOSPYFRI-GFCCVEGCSA-N 322.390 -0.177 30 20 DBED CN(CCCNC(=O)[C@@H]1COCCO1)c1cnc(C#N)cn1 1095490028 OENXIFOMFDZULB-LBPRGKRZSA-N 305.338 -0.294 30 20 DBED CN(CCCNC(=O)[C@H]1CC[C@@H]1C(N)=O)c1cncc(C#N)n1 1095696762 LVTHYKJQDHAYHO-RYUDHWBXSA-N 316.365 -0.198 30 20 DBED CC(=O)NC(C)(C)C(=O)N[C@@H]1CCN(c2ccnc(C#N)n2)C1 1096399318 CJHBXBGFRMELAA-LLVKDONJSA-N 316.365 -0.042 30 20 DBED N#Cc1cncc(N[C@@H](CNC(=O)Cn2cncn2)C2CC2)n1 1096676779 UCXHNAXMCIXNKM-LBPRGKRZSA-N 312.337 -0.053 30 20 DBED Cn1nnc(C(=O)NC[C@@H](Nc2ccc(C#N)nn2)C2CC2)n1 1096787751 DVJTUBSNZSOVSA-SNVBAGLBSA-N 313.325 -0.508 30 20 DBED CC(=O)N[C@H](C)C(=O)N[C@H]1C[C@H](Nc2nccnc2C#N)C1 1096987616 VTBNTKMMOQQRFP-FBIMIBRVSA-N 302.338 -0.068 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@H]1C[C@H](Nc2ccc3nnnn3n2)C1 1097013624 GQJQOPJXTHGJBI-BHDSKKPTSA-N 317.353 -0.095 30 20 DBED CC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cn1ccc(O)nc1=O 1097461149 REOIRSMGQQLVCB-UPJWGTAASA-N 316.361 -0.306 30 20 DBED CCc1nc(C#N)cc(N[C@@H](C)CNC(=O)Cn2cnnn2)n1 1097695275 BWENRXRCXNKDQC-VIFPVBQESA-N 315.341 -0.486 30 20 DBED C[C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)Nc1cnc(C#N)cn1 1098264687 OMQVDPXEZFOEEK-INTQDDNPSA-N 318.337 -0.702 30 20 DBED Cc1cc(=N[C@@H](C)CNC(=O)[C@H]2C[C@H]2C(N)=O)c(C#N)c[nH]1 1098270078 BLDOYYGFMCXYLK-WCQGTBRESA-N 301.350 -0.278 30 20 DBED C=C(Cl)CN1CC[C@H](NC(=O)CCn2cncn2)[C@@H](O)C1 1099679389 ZQRHDUMWJOMBJC-RYUDHWBXSA-N 313.789 -0.028 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)Cc2ccon2)[C@H](O)C1 1099743068 DKQPZRMCKYDZEL-UONOGXRCSA-N 309.366 -0.029 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)Cc2cncnc2)[C@@H](O)C1 1099796357 BNMXUYLRPLMPNA-GJZGRUSLSA-N 320.393 -0.227 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)C#CC(C)(C)C)[C@@H](O)C1 1099827401 WUHKHXQEVJZIKR-KGLIPLIRSA-N 321.421 -0.111 30 20 DBED C=CCCCN1CC[C@H](NC(=O)Cn2ncn(C)c2=O)[C@H](O)C1 1099895558 YGUCMUZSWXCKKY-QWHCGFSZSA-N 323.397 -0.901 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)C(C)(C)CC)[C@@H](O)C1 1099980118 BZVVOWGOZMIQSX-OLZOCXBDSA-N 309.410 -0.277 30 20 DBED CN1CCO[C@H](C(=O)NCCN(C)c2ncccc2C#N)C1 1099996838 RXLNYVDATYKUDO-ZDUSSCGKSA-N 303.366 -0.164 30 20 DBED CC(C)C1(C(=O)N[C@H]2CCN(CC(=O)NCC#N)C[C@@H]2O)CC1 1099997378 VRWDMVPTCVRBEQ-STQMWFEESA-N 322.409 -0.386 30 20 DBED C#CCCN1CC[C@H](NC(=O)C(=O)NCC(F)(F)F)[C@H](O)C1 1100052886 GJGNXSBGGTXWRB-VHSXEESVSA-N 321.299 -0.760 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)Cc2nc[nH]n2)[C@H](O)C1 1100070067 OQYQSQFXZAUDPQ-NWDGAFQWSA-N 309.370 -0.899 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)c2nonc2C)[C@H](O)C1 1100136652 QDPRXDHBMWXMQW-NWDGAFQWSA-N 310.354 -0.254 30 20 DBED CCN(CCNC(=O)CCn1cnnn1)c1ccc(C#N)nc1 1100600275 KCBKLTVHQUEVSF-UHFFFAOYSA-N 314.353 -0.027 30 20 DBED CNC(=O)NCC(=O)NC[C@H]1CCCN1c1ccc(C#N)nc1 1100915156 MGRXZHGVPZLLGP-GFCCVEGCSA-N 316.365 -0.033 30 20 DBED CN(CCNc1ccc(C#N)nn1)C(=O)[C@H]1CCCNC1=O 1101815233 XOFLWXXQMUAYIA-NSHDSACASA-N 302.338 -0.255 30 20 DBED N#Cc1nccc(N2CC[C@H](CCNC(=O)CC(N)=O)C2)n1 1102308478 ODJZINNUQOMSMI-JTQLQIEISA-N 302.338 -0.444 30 20 DBED CC(=O)N(C)CC(=O)N(C)[C@H]1CCN(c2cnc(C#N)cn2)C1 1102671281 IVTWAWPUYBVELA-ZDUSSCGKSA-N 316.365 -0.136 30 20 DBED CN(C(=O)CS(C)(=O)=O)[C@@H]1CCN(c2ccc(C#N)nn2)C1 1102683905 MYGBRXITHKDQHN-LLVKDONJSA-N 323.378 -0.570 30 20 DBED CCN(C(=O)CC(N)=O)[C@H]1CCN(c2nc(C)cc(C#N)n2)C1 1102784476 MJKQYLRXAVMAOG-LBPRGKRZSA-N 316.365 -0.041 30 20 DBED Cc1cc(C#N)nc(N2CCC[C@@H]2CCNC(=O)C(N)=O)n1 1103771301 LPTBNRVIWRKADG-LLVKDONJSA-N 302.338 -0.383 30 20 DBED C#CCNC(=O)CNCC[C@@H]1CN(C(=O)c2ncc[nH]2)C[C@H]1C 1104166299 DXXDICQIRCYGNT-CHWSQXEVSA-N 317.393 -0.153 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)Cc2cc[nH]n2)cn1 1105762017 KVNDDPKUBFSCSI-ZDUSSCGKSA-N 300.322 -0.192 30 20 DBED Cc1cc(C(=O)NC[C@@H](O)CN=c2cc[nH]c(C#N)n2)ns1 1105806267 SYLYAVAMFGPHTC-VIFPVBQESA-N 318.362 -0.262 30 20 DBED Cc1cc(=NC[C@H](O)CNC(=O)c2nc[nH]n2)c(C#N)c[nH]1 1105932306 FIQWHWUWWCRHHF-JTQLQIEISA-N 301.310 -0.996 30 20 DBED COC[C@H](C)CC(=O)NC[C@@H](O)CNc1cnc(C#N)cn1 1105941064 PWDRIKLPTBTTCH-PWSUYJOCSA-N 307.354 -0.090 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)CN(C)S(C)(=O)=O)C[C@H]1C 1106205018 ANCBQNPWTMNGJY-CHWSQXEVSA-N 315.439 -0.415 30 20 DBED C[C@H](CCNc1cnc(C#N)cn1)NC(=O)[C@@H]1COCCN1C 1106277690 JYSATZRTQWAVTB-YPMHNXCESA-N 318.381 -0.014 30 20 DBED C[C@@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)CN1CCOCC1 1106279563 KSDDJOLRAJMFDZ-LBPRGKRZSA-N 318.381 -0.591 30 20 DBED CCN1CCOC[C@@H]1C(=O)N[C@H](C)CNc1ccc(C#N)nn1 1107994706 NBRFXEVQQCRJDQ-DGCLKSJQSA-N 318.381 -0.014 30 20 DBED C=CCN1CCN(C(=O)C[C@H](C)OC)[C@@H]2CS(=O)(=O)C[C@@H]21 1108463509 PQCKXAOQYDGFDP-RWMBFGLXSA-N 316.423 -0.093 30 20 DBED Cc1nc(O)[nH]c1C(=O)N[C@@H](C)CN=c1cc[nH]c(C#N)n1 1108569164 XBZPNJULHCYIPS-ZETCQYMHSA-N 301.310 -0.262 30 20 DBED CCN(CC)CC(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1 1108580293 FPFPNJIXNCMWFG-GFCCVEGCSA-N 307.398 -0.747 30 20 DBED C[C@H](CN(C)c1cncc(C#N)n1)NC(=O)[C@H]1CN(C)CCO1 1108905988 UMOOKBARQICVLB-DGCLKSJQSA-N 318.381 -0.380 30 20 DBED C[C@@H](CN(C)c1nccnc1C#N)NC(=O)C[C@H]1CCNC1=O 1109114784 OUHPZBXAWIURJF-WDEREUQCSA-N 316.365 -0.185 30 20 DBED Cc1nc(N(C)C[C@H](C)NC(=O)[C@@H]2CNC(=O)N2)ccc1C#N 1109210650 FLHJCDSSQFPZQJ-CABZTGNLSA-N 316.365 -0.116 30 20 DBED CN(CCCNc1ccc(C#N)nn1)C(=O)c1nnn(C)n1 1109587975 HUNBTAOJGXLZIC-UHFFFAOYSA-N 301.314 -0.554 30 20 DBED N#Cc1nc(=NC[C@H](NC(=O)CCNC(N)=O)C2CC2)cc[nH]1 1109850438 ZCQYVUCKPORFDT-JTQLQIEISA-N 317.353 -0.865 30 20 DBED N#Cc1ccc(N2CC[C@@](O)(CNC(=O)[C@H]3CCCO3)C2)nn1 1111032135 SWBYOJRELWDNAO-IUODEOHRSA-N 317.349 -0.415 30 20 DBED N#Cc1c[nH]ccc1=NC1(CNC(=O)[C@H]2CCNC2=O)CCC1 1111880591 HHOILCRKTSKBBP-LBPRGKRZSA-N 313.361 -0.038 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)C2(C(=O)N(C)C)CC2)CC1 1113522972 RRCWDEAOJUNZPF-UHFFFAOYSA-N 322.409 -0.699 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)C3=COCCO3)[C@H]2C1 1113805554 GEGDADATORDDNW-CIQGVGRVSA-N 319.361 -0.941 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)CCn3cccn3)[C@H]2C1 1113874028 SKDNEROSCYMOOE-STQMWFEESA-N 317.393 -0.378 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)c3cncs3)[C@H]2C1 1113945081 OZEUSFYULBKJBA-DCQANWLSSA-N 318.402 -0.059 30 20 DBED C[C@H]1CCN(c2ccc(C#N)nn2)C[C@@H]1NC(=O)CC(N)=O 1114008349 PNCCVKDARFDZQM-ONGXEEELSA-N 302.338 -0.445 30 20 DBED C=CCOCC(=O)NC1[C@@H]2CN(CCNC(=O)NC(C)C)C[C@@H]12 1114048227 UPNPEEGDKNYMQH-CHWSQXEVSA-N 324.425 -0.057 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)c3cccc(O)n3)[C@@H]2C1 1114101339 NIGWQAFLIUUTFY-GHMZBOCLSA-N 316.361 -0.251 30 20 DBED CC[C@H](C)OCC(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1114152857 FOQCKRICNMFOKM-UUIJZJDISA-N 308.382 -0.512 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)CO[C@@H](C)CC)[C@H]2C1 1114153091 IWSJFPGTYPTJHS-BCUIYNNISA-N 307.394 -0.403 30 20 DBED Cc1ccc(C(=O)N[C@H]2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]32)nn1 1114245211 JHFLNKPDSCYITR-YABSGUDNSA-N 314.349 -0.915 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H]1C[C@H](NC(=O)CCNC(N)=O)C1 1114769913 YYVQISKUYJCUCH-UMSPYCQHSA-N 316.365 -0.260 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)C(C)(C)CNC(C)=O)[C@H]2C1 1114959743 JLCKMOPOJRQLPO-FICVDOATSA-N 321.421 -0.155 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)C(=O)N3CC[C@H](C)C3)[C@@H]2C1 1115088127 FZXDRCHGAIBUTM-BFHYXJOUSA-N 319.405 -0.449 30 20 DBED CNC(=O)CC(=O)NCCOCCCNc1cnc(C#N)cn1 1115409540 IZSRQOXZSKZXPK-UHFFFAOYSA-N 320.353 -0.581 30 20 DBED C[C@@H](CN(C)C(=O)Cn1cnnn1)Nc1ccc(C#N)nn1 1115603198 PLPQWTGDHJCBNS-VIFPVBQESA-N 301.314 -0.706 30 20 DBED CS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)NCCCCC#N)C1 1117266285 LBRMPRRPYUTLFM-LLVKDONJSA-N 315.395 -0.168 30 20 DBED C#CCNC(=O)CNC1CC2(C1)CC(NC(=O)c1cn[nH]c1)C2 1120682862 NEBVTPQYRREHEU-UHFFFAOYSA-N 315.377 -0.210 30 20 DBED CN1CCO[C@@H](C(=O)NC[C@H](CO)Nc2ncccc2C#N)C1 1121250007 LLHMPMOROUNMFP-CHWSQXEVSA-N 319.365 -0.827 30 20 DBED CNC(=O)NCCC(=O)NC[C@H](CO)Nc1ncccc1C#N 1121438928 BWZVDVAMPRYIOY-LLVKDONJSA-N 320.353 -0.839 30 20 DBED Cc1cc(=N[C@H](CO)CNC(=O)CN2CCCC2)c(C#N)c[nH]1 1121583197 YSSREACPSRONHH-AWEZNQCLSA-N 317.393 -0.332 30 20 DBED COCCOCCC(=O)NC[C@H](CO)Nc1nccnc1C#N 1121700857 VZLKCQWHGLGARU-LLVKDONJSA-N 323.353 -0.710 30 20 DBED CCN(C)CCC(=O)NC[C@H](CO)N=c1cc(C)[nH]cc1C#N 1122027223 GVMXQHPHAJVJPU-CQSZACIVSA-N 319.409 -0.086 30 20 DBED CCN(C)CCC(=O)NC[C@H](CO)Nc1nc(C)cc(C#N)n1 1122029569 VPSGSKWFZCTQSH-CYBMUJFWSA-N 320.397 -0.113 30 20 DBED COCC#CCNC1CC2(C1)CC(NC(=O)CCNC(N)=O)C2 1122162912 XHDNULBATBLOSC-UHFFFAOYSA-N 322.409 -0.288 30 20 DBED N#Cc1cncc(N[C@H](CO)CNC(=O)COCC(F)F)n1 1122256714 XFZQSSSQDOEODP-VIFPVBQESA-N 315.280 -0.481 30 20 DBED N#Cc1c[nH]ccc1=N[C@H](CO)CNC(=O)Cc1cnc[nH]1 1122620292 DFEGVHWRFGWAQI-LBPRGKRZSA-N 300.322 -0.770 30 20 DBED CNC(=O)CC(=O)N1CC[C@@H](Nc2nccnc2C#N)[C@H]1C 1122971239 NEXOMKFYWCYXRQ-NXEZZACHSA-N 302.338 -0.114 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)[C@H]1CCCO1 1124066654 YRKKSBBGPGNVTO-GHMZBOCLSA-N 305.338 -0.820 30 20 DBED COC[C@H](C)CC(=O)N(C)C[C@H](O)CN=c1cc[nH]c(C#N)n1 1124513085 LHKTTXLCWWKUFR-VXGBXAGGSA-N 321.381 -0.326 30 20 DBED CN(C[C@H](O)CNc1nccnc1C#N)C(=O)[C@@H]1[C@H]2COC[C@H]21 1124654241 MNHDWQOLBIRBTG-DCQANWLSSA-N 317.349 -0.528 30 20 DBED CC(C)NC(=O)NCCNCCNC(=O)c1ccc(C#N)[nH]1 1125783534 QABHZAGNDSALJD-UHFFFAOYSA-N 306.370 -0.087 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)CC(=O)NCC 1126011842 PEUUVSPMGPLWQI-UHFFFAOYSA-N 310.398 -0.581 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)[C@]2(CC)CCNC2=O)C1=O 1129872399 XMACQOOYCAYAHU-BLLLJJGKSA-N 322.409 -0.605 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CCn2cncc2C1 1130407700 WTOKCMCLWQGTKL-QWHCGFSZSA-N 319.409 -0.158 30 20 DBED C#CCN1CCOC[C@H]1c1n[nH]c(CNC(=O)[C@H](C)COC)n1 1130835026 IZWZKVIWMPKLPL-NEPJUHHUSA-N 321.381 -0.290 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@@H](NCCO)[C@H](c2cncn2C)C1 1130988696 JYZGZNKCJBJBQD-BFHYXJOUSA-N 320.393 -0.665 30 20 DBED C[C@H]1CCN(C(=O)CC(C)(C)O)C[C@@H]1CNCC(=O)NCC#N 1132782536 NYRVGFXTKVKFHS-STQMWFEESA-N 324.425 -0.139 30 20 DBED C[C@H](C[C@@H](C)NC(=O)c1cnns1)NCC(=O)NCC#N 1133799409 SVDJEYJLCUBUHY-RKDXNWHRSA-N 310.383 -0.336 30 20 DBED C=CCCn1cc(C(=O)NCCNCC(=O)NCC=C)nn1 1135071548 HKFCHPLWVLFIFM-UHFFFAOYSA-N 306.370 -0.524 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1cccc2nc[nH]c12 1135625822 CDAZLHJRYKKWOX-UHFFFAOYSA-N 300.322 -0.478 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1cc(CC)nn1C 1135684562 MWCOUMQBZXNVPR-LLVKDONJSA-N 305.382 -0.560 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)[C@H](C)OCC)C2 1147049373 LZIWTBYTNLVVHV-ZDUSSCGKSA-N 307.394 -0.305 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC2(CCN(CC(=O)NC(N)=O)C2)C1 1147422643 UTKCPWBEKKCVJA-AWEZNQCLSA-N 324.381 -0.957 30 20 DBED C#CCOCCC(=O)N1CC2(CCN([C@H](CC)C(N)=O)C2)C1 1147534893 QGOYZNRYTXUUIE-CYBMUJFWSA-N 307.394 -0.176 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1cc(N(C)C)ccn1 1153339291 KTCFWMSUGPEFRT-UHFFFAOYSA-N 305.382 -0.231 30 20 DBED Cc1cccc2c1O[C@H](C(=O)NCCNCC(=O)NCC#N)C2 1153940338 ALQFOTUFFFMQFN-ZDUSSCGKSA-N 316.361 -0.356 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)[C@@H](C)n1cccn1 1154908454 GDZWPBLTAQYKSK-QWHCGFSZSA-N 305.382 -0.322 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1cc2cccn2cn1 1160764487 PMKVVLOFTUMMGP-UHFFFAOYSA-N 313.361 -0.207 30 20 DBED Cc1ccn([C@H](C)CC(=O)NCCCNCC(=O)NCC#N)n1 1163865054 HVCFYNWFDKUGTR-CYBMUJFWSA-N 320.397 -0.122 30 20 DBED C[C@@H]1C[C@H](C(=O)NCCC2(CNCC(=O)NCC#N)CC2)CO1 1165834628 BULJDAQXWPGNGU-OLZOCXBDSA-N 322.409 -0.073 30 20 DBED C[C@@H](CCCCNCC(=O)NCC#N)NC(=O)Cn1cccn1 1169155967 AITJLQAWOLBOBS-ZDUSSCGKSA-N 320.397 -0.213 30 20 DBED N#CCNC(=O)CNCCCNC(=O)c1cnoc1C1CC1 1169979171 SBAWNSKOGROXBO-UHFFFAOYSA-N 305.338 -0.099 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)C(=O)N1CC[C@@H](C)C1 1170651577 BVZCRYNIPMKOQB-CHWSQXEVSA-N 324.425 -0.359 30 20 DBED C[C@@H](Oc1ccccn1)C(=O)NCCCNCC(=O)NCC#N 1171383112 CUVLHLHABLJZNZ-GFCCVEGCSA-N 319.365 -0.415 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H]2OCCN(CCC)[C@@H]2C1 1176988435 JCYNPDWRSGLQMS-ZIAGYGMSSA-N 307.394 -0.162 30 20 DBED COCC#CCN1CCO[C@@H]2CCN(C(=O)c3nc[nH]n3)C[C@@H]21 1177119134 NDWVVPLIYBZTMT-QWHCGFSZSA-N 319.365 -0.630 30 20 DBED Cc1cc(CC(=O)N2CC[C@H](NCC(=O)NCC#N)[C@@H]2C)n[nH]1 1178451705 IRRJSDZLXOIVJU-AAEUAGOBSA-N 318.381 -0.521 30 20 DBED CCS(=O)(=O)NCCN[C@@H]1CCN(C(=O)[C@@H](C)C#N)C1 1181698930 SETSVQQDTUVWKR-WDEREUQCSA-N 302.400 -0.724 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](N[C@@H]2CCN(CC)C2=O)C1 1182513574 FTBABECQMUQHPO-ZIAGYGMSSA-N 307.394 -0.162 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)c2cnn(CCF)c2)C1 1183844355 IXJIORCJSJVEQH-CYBMUJFWSA-N 323.372 -0.041 30 20 DBED C#CCNC[C@H]1CCN(C(=O)CCS(=O)(=O)NC)C[C@@H]1C 1184411587 FGEPVILORSEODB-QWHCGFSZSA-N 315.439 -0.367 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)Cn2ccc(C)n2)C1 1185731086 LSOCYUUMWKJLTC-ZIAGYGMSSA-N 317.393 -0.480 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)CCCCC(N)=O)C1 1186919365 OPSWUBIRHFZZJC-GFCCVEGCSA-N 310.398 -0.475 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)CCn2ccnn2)C1 1189836966 LZWVSFYPLZXKJS-CYBMUJFWSA-N 320.397 -0.497 30 20 DBED C#CCCCC(=O)N1CC[C@H](N(C)Cc2nc(=O)n(C)[nH]2)C1 1189909911 JHBSDKDBHJJNPI-LBPRGKRZSA-N 305.382 -0.055 30 20 DBED CC(C)[C@H](C)CC(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1O 1191697849 PGFDEKSATXPPSW-JHJVBQTASA-N 310.398 -0.530 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CN(CC(=O)NCC(C)(C)C)C[C@H]1O 1191873353 UXRAOFMWPRHYGO-IJLUTSLNSA-N 310.398 -0.530 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN([C@H](C)CCC=C)C[C@H]1O 1192395200 ABTXSBUQVKTPLS-MGPQQGTHSA-N 307.394 -0.358 30 20 DBED N#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)Cc2ccccc2)C1 1194151743 LUIDOSVEOMHBGV-ZIAGYGMSSA-N 316.361 -0.970 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)c2csnn2)CC1 1201864150 LZTCVXXDKJLFIA-UHFFFAOYSA-N 307.379 -0.518 30 20 DBED C#CCNC[C@H]1CN(C(=O)c2ccc(C(N)=O)nc2)CCCO1 1202227675 UBBUHGKSGVFBIR-ZDUSSCGKSA-N 316.361 -0.366 30 20 DBED C#CCN[C@H]1C[C@H](NC(=O)CCCS(N)(=O)=O)C12CCC2 1203326621 VCTUIQOCFJYVEW-RYUDHWBXSA-N 313.423 -0.295 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)[C@H]2CCCOCC2)[C@H](C)C1 1206910534 YKJKJKSULIUUFO-QLFBSQMISA-N 321.421 -0.011 30 20 DBED C#CCN1C[C@@H](NC(=O)CNC(=O)c2ccsc2)[C@H](OC)C1 1213878666 SOJWAYVQVNVOGI-CHWSQXEVSA-N 321.402 -0.074 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)c2oncc2C)C[C@H]1C 1216184991 HYEXEITUNKNKFB-VXGBXAGGSA-N 304.350 -0.217 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)CNC(=O)c2ccoc2)C1 1219681193 RBNTZPJPNVTEGX-OLZOCXBDSA-N 307.350 -0.253 30 20 DBED C=C(C)CCC(=O)N[C@@H]1CN([C@H](C)c2nnnn2C)C[C@@H]1O 1219718852 RQQNPXBNRHUVRH-UTUOFQBUSA-N 308.386 -0.211 30 20 DBED C=CCCCN1C[C@H](O)[C@H](NC(=O)CNS(=O)(=O)CC)C1 1219733319 IQUBTFMFCYUZCS-NEPJUHHUSA-N 319.427 -0.947 30 20 DBED N#CCNC(=O)CN1CC[C@@H]2CCN(C(=O)[C@H]3CCCO3)C[C@@H]21 1222215109 ZICFVZVMBGLZHL-HZSPNIEDSA-N 320.393 -0.272 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)C[C@@H]2CCOC2)CC1 1226689044 AAZGPTIIXSMFOQ-ZDUSSCGKSA-N 307.394 -0.257 30 20 DBED N#CCCOCCOCCOC(=O)[C@H]1CCS(=O)(=O)N1 1263521996 ALLJPKLFDXQIHH-SNVBAGLBSA-N 306.340 -0.832 30 20 DBED CN1CCC(C(=O)N[C@H]2CCCN(CC(=O)NCC#N)C2)CC1 1317981818 SGDMNRDXTBVSFK-AWEZNQCLSA-N 321.425 -0.451 30 20 DBED CN(C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCO[C@@H](C#N)C1 1322953849 AXVGKZWMFVJIII-RWMBFGLXSA-N 308.382 -0.274 30 20 DBED CNC(=O)CN(C)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N 1323417021 LKFWTBZUHSDSOJ-UHFFFAOYSA-N 320.353 -0.347 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1C[C@H](C)O[C@@H](COC)C1 1323528473 QLTRTQOJUXZAIW-QJPTWQEYSA-N 300.355 -0.434 30 20 DBED C=C(C)CS(=O)(=O)N1CCN(C(=O)N2CCOCC2)CC1 1325074919 JBXUZPKAWDPWFY-UHFFFAOYSA-N 317.411 -0.038 30 20 DBED C=C[C@@H]1CCCCN1C(=O)C(=O)N1CCN(CCOC)C(=O)C1 1325096317 BLMVFZKUPUAWBD-CYBMUJFWSA-N 323.393 -0.129 30 20 DBED N#CCCCNC(=O)C(=O)NCc1nc(C(F)(F)F)n[nH]1 1325740321 UMHHOQRPWWXZIQ-UHFFFAOYSA-N 304.232 -0.140 30 20 DBED C[C@@H](O)CN(C(=O)C(=O)NCC#Cc1ccccc1)[C@H](C)CO 1327377620 AHVNDRRORMBPSE-ZIAGYGMSSA-N 318.373 -0.256 30 20 DBED CC(C)[C@H](NC=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1331384348 NLXVBTKWVJKIQD-CDZMIXDFSA-N 308.338 -0.600 30 20 DBED C#CCN(CC)c1nnnn1CCCN(C)S(=O)(=O)CC 1334013657 OTWOPCRYZSTBJJ-UHFFFAOYSA-N 314.415 -0.196 30 20 DBED COCCNC(=O)[C@H](C#N)C(=O)c1cnc(C(=O)OC)cn1 1341902031 HBFNBLUISBLDFB-MRVPVSSYSA-N 306.278 -0.652 30 20 DBED CN(CC(C)(CO)CO)C(=O)C(=O)Nc1ccc(C#N)cn1 1343929475 TXZXUFNEVUGLRH-UHFFFAOYSA-N 306.322 -0.659 30 20 DBED C#CCN(C)CCCNC(=O)N[C@@H](C)[C@H]1CN(C)CCN1C 1346373498 GHIPIXQZNRNAAV-LSDHHAIUSA-N 309.458 -0.125 30 20 DBED C=C(C)COCCNC(=O)C(=O)N1C[C@H](O)C[C@@H]1COC 1346384423 VXHJHRMFXPTSPI-VXGBXAGGSA-N 300.355 -0.697 30 20 DBED COC(C)(C)CCNC(=O)C(=O)N1CCN(CCC#N)CC1 1351960484 LCRMSLSUKSHSSE-UHFFFAOYSA-N 310.398 -0.024 30 20 DBED C=CCn1c(C[N+](=O)[O-])nnc1N1CCN2CCOC[C@@H]2C1 1356116209 QTYRMTZMOLLZHN-NSHDSACASA-N 308.342 -0.238 30 20 DBED C#CCCN(CCOC)c1nnc(Cc2nn[nH]n2)n1CC 1356389171 ZPLNUHGXUGMTFW-UHFFFAOYSA-N 304.358 -0.122 30 20 DBED CN(CCCN1CCCC1)C(=O)Cn1cc(C#N)c(O)nc1=O 1362436716 LZFDMNSIZSKMLQ-UHFFFAOYSA-N 319.365 -0.235 30 20 DBED COC(=O)C1(C#N)CCN(C(=O)[C@@H](C)N2CCN(C)CC2)CC1 1362442628 INHGFBKXVIASQA-CYBMUJFWSA-N 322.409 -0.072 30 20 DBED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CC[C@](O)(CC#N)C1 1362934710 IKWZSOCFIYWKDO-IINYFYTJSA-N 313.354 -0.251 30 20 DBED CCc1ncoc1C(=O)NCCn1cc(C#N)c(O)nc1=O 1363004260 OIKWVGUBMFRFSE-UHFFFAOYSA-N 303.278 -0.199 30 20 DBED CNS(=O)(=O)NC1CCN(c2cc(C#N)nc(C)n2)CC1 1363156616 MLWCVRQOQKFFKO-UHFFFAOYSA-N 310.383 -0.321 30 20 DBED CS(=O)(=O)N1CCC(C(=O)N2CC[C@@](O)(CC#N)C2)CC1 1363520507 GXNTZKHRCQKGOX-ZDUSSCGKSA-N 315.395 -0.465 30 20 DBED CN1CCN(Cc2cc(O)n3ncc(C#N)c3n2)[C@H](CO)C1 1364450285 NNIPNSBFUZVJEB-LBPRGKRZSA-N 302.338 -0.585 30 20 DBED N#CC[C@@]1(O)CCN(S(=O)(=O)N=S2(=O)CCCC2)C1 1365717603 XXZYAIYYZLDIAD-SNVBAGLBSA-N 307.397 -0.157 30 20 DBED C[C@H](C#N)C(=O)N(C)CCN(C)C(=O)c1ccc(C(N)=O)[nH]1 1376375948 PMFJOIPSZUTUEW-SECBINFHSA-N 305.338 -0.196 30 20 DBED CCN(C(=O)[C@H](C)C#N)[C@H](C)CNC(=O)CS(=O)(=O)NC 1384603256 IWAWEFFTHYNUFO-NXEZZACHSA-N 318.399 -0.952 30 20 DBED C[C@H](CNC(=O)c1c[nH]c(C#N)c1)NC(=O)[C@@H]1CCC(=O)N1C 1386731657 VPMDAVHGMHTYES-SKDRFNHKSA-N 317.349 -0.258 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1cnn2ccncc12 1392133244 PBXPIPNLGZKRMT-NXEZZACHSA-N 316.321 -0.904 30 20 DBED COCCN(CCNC(=O)[C@H](C)C#N)C(=O)C1CN(C(C)=O)C1 1396169238 DENAQJVZSLGAKC-LLVKDONJSA-N 324.381 -0.784 30 20 DBED Cc1nc(CC(=O)NC[C@@H](O)CNC(=O)[C@H](C)C#N)cs1 1399859994 FHDVIROLVQHLRP-LDYMZIIASA-N 310.379 -0.253 30 20 DBED C=C(Cl)CN1CCOC[C@@H]1CNC(=O)CS(C)(=O)=O 1407742709 OZQZQQHENXMPFC-JTQLQIEISA-N 310.803 -0.400 30 20 DBED C[C@H](CNC(=O)c1cnc(N(C)C)cn1)NC(=O)[C@H](C)C#N 1410277447 CUNXCSPTBGIUBZ-NXEZZACHSA-N 304.354 -0.063 30 20 DBED C=C(Cl)CNC1(CNC(=O)CCn2ncn(C)c2=O)CC1 1420970620 SNMCQFCRCBPBML-UHFFFAOYSA-N 313.789 -0.037 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CN(C)C(=O)c1ncccc1F 1425867608 ZWJBAMWBHOJACB-UWVGGRQHSA-N 308.313 -0.071 30 20 DBED C[C@H](C#N)C(=O)N(CCNC(=O)CCS(C)(=O)=O)C1CC1 1429939190 ZHTIFYWKTJKYCM-SNVBAGLBSA-N 315.395 -0.312 30 20 DBED C[C@@H](CCNC(=O)CCn1cc(C#N)c(O)nc1=O)N(C)C 1434167342 KAEDFWIPAJDWJB-JTQLQIEISA-N 307.354 -0.333 30 20 DBED C=CCn1c([C@H](CC)CO)nnc1N1CCO[C@H](C(=O)NC)C1 1520473174 ZJQIMFKYNUJPQZ-NEPJUHHUSA-N 323.397 -0.099 30 20 DBED CC(C)c1nnnn1CC(=O)N1CC(CNC(=O)[C@@H](C)C#N)C1 1530880714 RGIDXSKZOMBYAK-JTQLQIEISA-N 319.369 -0.469 30 20 DBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC1CNC1 1573580434 ZZUNRGPCVKTCKD-SECBINFHSA-N 308.363 -0.687 30 20 DBED C[S@](=O)C1(C(=O)NCC2(C#N)CCOCC2)CCNCC1 1579354974 OYAVSHMADYAMGH-NRFANRHFSA-N 313.423 -0.076 30 20 DBED C#C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@](COC)(C(=O)O)C2)C1 1588385275 BZDGDYGAJSWRNH-MLGOLLRUSA-N 322.361 -0.192 30 20 DBED C#CC[C@H](NC(=O)c1nc(S(C)(=O)=O)ncc1C)C(=O)O 1588421453 JNLNVBKOJXPWDG-QMMMGPOBSA-N 311.319 -0.605 30 20 DBED C#CCN(CC(=O)O)c1nnnn1CCCc1cnn(C)c1 1588427205 QGOVOGBEVQKYHW-UHFFFAOYSA-N 303.326 -0.436 30 20 DBED C=C[C@@H]1OCC[C@H]1NC(=O)N1C[C@@H](C(=O)O)[C@H](C(=O)OC)C1 1588917795 ADEGPWKMYPAVJQ-DBIOUOCHSA-N 312.322 -0.155 30 20 DBED CNC(=O)C1CCN(c2cnc(C#N)c(-c3nn[nH]n3)n2)CC1 1591201657 GMMSLAHSMMRPNQ-UHFFFAOYSA-N 313.325 -0.509 30 20 DBED CON=CC(=O)N1CCN(c2ncccc2-c2nn[nH]n2)CC1 1591467838 XMWHXFAFVJXQTE-UHFFFAOYSA-N 316.325 -0.458 30 20 DBED COc1cc(-c2nn[nH]n2)ccc1NC(=O)NCC#CCO 1591491560 IGIWYBGXVHVOKJ-UHFFFAOYSA-N 302.294 -0.008 30 20 DBED N#CC1(NC(=O)c2cccn(CC(=O)O)c2=O)CCOCC1 1594603107 XDRJULCBIOYFCL-UHFFFAOYSA-N 305.290 -0.265 30 20 DBED Cn1cc(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)cc1C(=O)O 1600959899 WGNKXALRLUXGJE-VIFPVBQESA-N 306.278 -0.587 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCC2(CC1)C[C@@H]2C(=O)O 1602727622 BWWLEIYDOKJHBV-LLVKDONJSA-N 308.334 -0.534 30 20 DBED C=CC(C)(C)CC(=O)N1CC(O)(CNC(=O)[C@H]2C[C@@H]2C(=O)O)C1 1602805535 AAUCRTXAXRCMRJ-QWRGUYRKSA-N 324.377 -0.001 30 20 DBED CCOC(=O)CN(C)C(=O)CN1CCC(C#N)(C(=O)O)CC1 1605539600 SXGPBJSECBCHIE-UHFFFAOYSA-N 311.338 -0.302 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)C(=O)Nc2cncc(C(=O)O)c2)C1 1605581894 ODUHCDJOWYSWFP-CQSZACIVSA-N 318.289 -0.405 30 20 DBED CC[C@@](COC)(NS(=O)(=O)N(C)[C@@H](C)CC#N)C(=O)O 1609926961 ZTDUGVKACKKFSD-ONGXEEELSA-N 307.372 -0.065 30 20 DBED C=CCNC(=O)CN[C@@H](CNC(=O)c1cc[n+]([O-])cc1)C1CC1 1752445020 NLEYSLUKLFQPGC-AWEZNQCLSA-N 318.377 -0.280 30 20 DBED CN1CC(=O)N(CC(=O)N2CCC[C@@H](CNCC#N)C2)C1=O 1752812763 PUTLHSYGOSSBPD-NSHDSACASA-N 307.354 -0.768 30 20 DBED Cc1n[nH]c(C)c1CC(=O)NCC[C@@H](C)NCC(=O)NCC#N 1753019644 MXLGKKIDURNQGR-SNVBAGLBSA-N 320.397 -0.307 30 20 DBED CCN(CCNC(=O)[C@H](C)c1cnn(C)c1)CC(=O)NCC#N 1753096222 SLWRKDUOOKAAGJ-GFCCVEGCSA-N 320.397 -0.399 30 20 DBED C#CCNC(=O)CN1CC[C@H](CNC(=O)CC[C@@H](C)OC)C1 1753123091 RJMZBKAFWDMVES-ZIAGYGMSSA-N 309.410 -0.011 30 20 DBED CNC(=O)[C@@H](C)N1CCO[C@H](CNC(=O)CSCC#N)C1 1753646606 UNHDBUMFVCOYGT-GHMZBOCLSA-N 314.411 -0.805 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@H](C)N(C)C(=O)C1=CCOCC1 1753686848 XSZYCAHTIWOVOA-QWHCGFSZSA-N 307.394 -0.093 30 20 DBED C[C@@H](CN[C@H]1CCC(=O)NC1=O)N(C)C(=O)c1cc(C#N)c[nH]1 1753688167 ZKAVXCGYODYEHJ-ONGXEEELSA-N 317.349 -0.258 30 20 DBED C=CCNC(=O)[C@H](C)NC[C@H](O)CNC(=O)c1ccc(C#N)[nH]1 1753908030 DSUHMUYRUMCLLF-JQWIXIFHSA-N 319.365 -0.743 30 20 DBED C=CCN1CC[C@H](NC[C@H](O)CNC(=O)c2c[nH]nc2C)C1=O 1753921891 MKIFWYOLKJCRMV-AAEUAGOBSA-N 321.381 -0.815 30 20 DBED CC#CCNC[C@H](O)CNC(=O)c1cnc2n[nH]c(C)c2c1 1753937560 POSPLBXPPZLIRF-LBPRGKRZSA-N 301.350 -0.030 30 20 DBED C#CCCNC1(CNC(=O)C[C@@H](C)NC(N)=O)CCOCC1 1754736695 XKSURWSGCALUGU-GFCCVEGCSA-N 310.398 -0.288 30 20 DBED C=C[C@@](C)(CCOC)C(=O)NCC1(O)CN(Cc2cnon2)C1 1754770890 DFNAMIPCOGGCAB-AWEZNQCLSA-N 324.381 -0.039 30 20 DBED C=CCCN1CCC[C@@](CO)(NC(=O)CCS(C)(=O)=O)C1 1754854961 FEHBDSPSQVBKNJ-CQSZACIVSA-N 318.439 -0.060 30 20 DBED C=CCNC1(C)CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)CC1 1755132684 KSZOVCSZPZAZAU-UHFFFAOYSA-N 320.393 -0.146 30 20 DBED C#CCNC(=O)[C@H](C)NCC1(O)CCN(C(=O)CC2CC2)CC1 1755146490 KEEUUEDRQGZTJX-ZDUSSCGKSA-N 321.421 -0.133 30 20 DBED C[C@@]1(C(=O)N2CCC(O)(CNCC#N)CC2)CCC(=O)NC1 1755153046 YHHOARXEQZVUSN-CQSZACIVSA-N 308.382 -0.631 30 20 DBED C#CCNC(=O)[C@@H](C)NCC1CC(NC(=O)c2cnccn2)C1 1755204728 KUIYIFRQYBXRQA-PNESKVBLSA-N 315.377 -0.288 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)CCNC(=O)COC)C2)C1 1755402382 RFNVRFQWSBSWBM-MRXNPFEDSA-N 323.393 -0.924 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)Cc2cnn(C)c2)[C@@H]1C 1755652487 WLXBCPVFBORFCR-OCCSQVGLSA-N 319.409 -0.156 30 20 DBED C#CCOCCC(=O)N1C[C@@H](NCC(=O)NCC#N)C[C@H]1C 1755678120 GPZSOJGTKNUZAS-OLZOCXBDSA-N 306.366 -0.755 30 20 DBED C#CCCN[C@@H]1C[C@H](C)N(C(=O)CN(C)S(=O)(=O)CC)C1 1755691485 XVZFCFUPWMYXJC-QWHCGFSZSA-N 315.439 -0.130 30 20 DBED C=CCNC[C@H](NC(=O)CNS(=O)(=O)N(C)C)C(C)(C)C 1755833466 JITNEKCUTBLNQL-NSHDSACASA-N 320.459 -0.311 30 20 DBED C#CCN1CCC(C(=O)NC[C@@H](CO)NC(=O)[C@@H](C)C#N)CC1 1756529201 YXVDSCHXGJSHLO-JSGCOSHPSA-N 320.393 -0.915 30 20 DBED CC(C)(C)C#CC(=O)N[C@@H]1CN(C(=O)c2ncccn2)C[C@H]1O 1756995828 NQDRKIOGJFWHFQ-VXGBXAGGSA-N 316.361 -0.172 30 20 DBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)O)C2)C1 1783516427 LBODRLQZUYPEHS-XJKCOSOUSA-N 324.377 -0.765 30 20 DBED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ncc[nH]3)C[C@@H]21 1790790746 BABFGDJTDXXQFY-SRVKXCTJSA-N 302.334 -0.364 30 20 DBED CC[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)C#N)C2 1792861766 ZJIJGJYFKWDUIQ-RNJOBUHISA-N 323.393 -0.103 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cnccn1 1793138189 PKCKQUDQJMANGI-DRXBFXEBSA-N 314.345 -0.758 30 20 DBED C=CCSCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C(O)O)C2 1794072350 HKZMGCRAYVRQSE-JGPRNRPPSA-N 314.407 -0.146 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)[C@@H](O)CC)C1 1841279047 UPICOKHMCAXXRH-STQMWFEESA-N 308.378 -0.001 30 20 DBED N#CCC(=O)N1CCCC12CN(C(=O)[C@H]1CCNC(=O)C1)C2 1842623980 XAUMHDLAOVORLC-NSHDSACASA-N 304.350 -0.370 30 20 DBED C#CCCCC(=O)N1CC2(CCCN2C(=O)[C@@H]2C[C@H](O)CN2)C1 1845067180 QOGVZWAVGIEZDL-KBPBESRZSA-N 319.405 -0.284 30 20 DBED C#CC(=O)N1CC2(CCCN2C(=O)COc2ccc(O)nn2)C1 1845772983 DPMCIKJKXZZLDK-UHFFFAOYSA-N 316.317 -0.602 30 20 DBED C#CCNC(=O)COC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 8563548 IDHHUNKIAFKYSM-LLVKDONJSA-N 304.302 -0.079 30 20 DBED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCNC(=O)C2)c1 23421180 QEHIPATUVGLMDJ-UHFFFAOYSA-N 321.358 -0.830 30 20 DBED Cn1cc(N2CCN(S(=O)(=O)CC3(C#N)CC3)CC2=O)cn1 165879045 QBFHXHZZNYVVFN-UHFFFAOYSA-N 323.378 -0.298 30 20 DBED C#CCNC(=O)CN1CCN(c2ncnc3c2cnn3C)CC1 198917991 LHJZQHKAOBHSRH-UHFFFAOYSA-N 313.365 -0.765 30 20 DBED CN1CCN(S(=O)(=O)c2ccc(C#N)s2)[C@@H](CN)C1 230370369 KXPRCJNGNUQNER-VIFPVBQESA-N 300.409 -0.117 30 20 DBED C=CCNC(=O)CN1CCC[C@H](CNC(=O)[C@@H]2CCCN2)C1 262303883 OWNWLUNZCNINIV-KGLIPLIRSA-N 308.426 -0.131 30 20 DBED CCN1CCN(CC(=O)N(CCC#N)CC2CC2)C(=O)C1=O 264026327 IYFNQBBVXIHMPA-UHFFFAOYSA-N 306.366 -0.171 30 20 DBED N#C[C@@H]1COCCN1C(=O)Cn1c(O)nc(=O)c2ccccc21 267232014 WJGGZHBEYULIJA-SNVBAGLBSA-N 314.301 -0.147 30 20 DBED C[C@@H](CO)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 269574253 QAMOXSSHYQVWTF-VHSXEESVSA-N 311.363 -0.278 30 20 DBED COC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)CC(C)(C)C#N 278764379 KLKGNMCXOBVEOM-SECBINFHSA-N 302.352 -0.275 30 20 DBED C#CCN(C)CCCNC(=O)[C@@](C)(O)Cn1ccc(C)cc1=O 294085263 XCVMQSXPPHHSFK-KRWDZBQOSA-N 319.405 -0.021 30 20 DBED C=CCSCCNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 299297129 KVQANHNMONGESX-UHFFFAOYSA-N 319.408 -0.719 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCCn2ccnc2C)C1=O 299468488 BCMCCDZCDUUHNS-UHFFFAOYSA-N 319.321 -0.715 30 20 DBED CC(=O)N1CC(/C(O)=N/C[C@H]2CCCN2S(C)(=O)=O)C1 329904565 ABFCQHMLFGXAGD-LLVKDONJSA-N 303.384 -0.155 30 20 DBED COCCN(/C(O)=N/[C@@H]1[C@H]2COC[C@H]21)[C@@H]1CCS(=O)(=O)C1 330031257 SXDAPNCHWDQRSH-WYUUTHIRSA-N 318.395 -0.319 30 20 DBED COC[C@H](C)/N=C(/O)NC(=O)CN1CCS(=O)(=O)C[C@H]1C 330867844 VWODAZUGWNFBBQ-VHSXEESVSA-N 321.399 -0.830 30 20 DBED COC(=O)CN1CCN(C(=O)Cc2noc(C)c2C#N)CC1 331120742 XFCKMIJZTCPQBH-UHFFFAOYSA-N 306.322 -0.286 30 20 DBED CCS(=O)(=O)N1CC(CNC(=O)c2cc(C#N)ccn2)C1 332454703 IFEIFLLTLIBZGI-UHFFFAOYSA-N 308.363 -0.035 30 20 DBED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCOCC2)s1 336829047 FMLRMIBWIDVBSP-UHFFFAOYSA-N 315.376 -0.243 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CCO[C@H](CNC(C)=O)C1 337064687 JPODQLVTCQYBPL-GFCCVEGCSA-N 318.399 -0.696 30 20 DBED CNC(=O)[C@@]1(C)CCN(S(=O)(=O)N(C)C[C@H](C)C#N)C1 337129697 BJVKZNYSULENGW-PWSUYJOCSA-N 302.400 -0.219 30 20 DBED CC[C@@H]1CN(S(=O)(=O)N(C)CCC#N)C[C@@H](C)S1(=O)=O 344921195 TZGPIZVYKKSNMU-GHMZBOCLSA-N 323.440 -0.026 30 20 DBED COC(=O)CN(CC#N)C(=O)c1ccc(CNC(N)=O)cc1 348786339 UYLGULOOMVJFBG-UHFFFAOYSA-N 304.306 -0.006 30 20 DBED COC(=O)[C@H](O)CNS(=O)(=O)Cc1cc(C#N)ccc1F 352078145 VONQGPYBCBMRET-LLVKDONJSA-N 316.310 -0.349 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N1C[C@H](C)S(=O)(=O)[C@H](C)C1 352593785 WATCYDAHAQKJQZ-MXWKQRLJSA-N 323.440 -0.170 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)N[C@H]2CC[S@@](=O)C2)cc1 354000970 KXRWVHKZRXTLGP-LAJNKCICSA-N 305.359 -0.075 30 20 DBED Cc1[nH]nc(NS(=O)(=O)c2ccc(C#N)nc2)c1C(N)=O 354568573 PPOQFTJIRRWARG-UHFFFAOYSA-N 306.307 -0.116 30 20 DBED C[C@@H](CC#N)N(C)C(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 354916307 SFPGVYNCQHJPPZ-KBPBESRZSA-N 322.409 -0.072 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1CCN(CC(=O)OC)CC1 357132940 MBCOQRGVFWEEDB-NSHDSACASA-N 312.370 -0.823 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCNC[C@H]2CCC)C1=O 359218910 HLTGTIZPUDKWDU-LLVKDONJSA-N 322.365 -0.436 30 20 DBED C=C(C)CS(=O)(=O)N1CCC[C@@H]1C(=O)NCC(=O)OC 416664279 SLUWCHCFDWNUCE-SNVBAGLBSA-N 304.368 -0.354 30 20 DBED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N(C)CCOCCO 430418923 YNDYWMCIZQCJMD-CHWSQXEVSA-N 314.382 -0.449 30 20 DBED C#CCN1CCN(C(=O)CN2C(=O)N[C@@H](CCC)C2=O)CC1 491316843 YBHZIHYJYFLRPM-LBPRGKRZSA-N 306.366 -0.516 30 20 DBED C#CCN1CCN(C(=O)CN[C@H](C)C2(OC)CCOCC2)CC1 491623358 IVONQPANLTUVNR-OAHLLOKOSA-N 323.437 -0.063 30 20 DBED C#CCN(C)CCCNC(=O)N[C@@H](C)CN1CCN(C)CC1 491782899 MWCVLDXYZJAHAM-HNNXBMFYSA-N 309.458 -0.123 30 20 DBED C#CCN1CCN(C(=O)CN2C[C@H](C)[S@@](=O)[C@H](C)C2)CC1 491783226 QPZJZECSQMAVFP-JORQVXCQSA-N 311.451 -0.395 30 20 DBED C[C@H]1OC(=O)N[C@@H]1C(=O)OCc1cc(O)n2ncc(C#N)c2n1 497255616 ZYZPKLXBMAUQOF-LDWIPMOCSA-N 317.261 -0.153 30 20 DBED CC[C@@H](C)[C@H](NC(=O)Cn1cnc(C#N)cc1=O)C(=O)OC 514672046 IYBQLWIBFOYWMD-RNCFNFMXSA-N 306.322 -0.181 30 20 DBED CN(CCC#N)C(=O)CCN1[C@H]2C[C@H]3[C@H]([C@@H]2O)[C@@H]2C[C@H]3[C@H](O)[C@H]21 582549538 FGNSNJYFPIWANF-ABTAZAJSSA-N 319.405 -0.191 30 20 DBED Cn1nnc2c1CC[C@@H](NC(=O)CNc1ccc(C#N)cn1)C2 594403012 VVUJCJKVJYBDDX-LLVKDONJSA-N 311.349 0.167 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1CC(S(=O)(=O)CC)C1 595517619 CUKPWTPSAJVDHW-VIFPVBQESA-N 303.384 -0.494 30 20 DBED COC[C@@](C)(C#N)NC(=O)CNS(=O)(=O)c1cccnc1 597382782 VCZUEUGZZYONTF-GFCCVEGCSA-N 312.351 -0.595 30 20 DBED Cn1cc(N2C[C@@H](C(=O)N3CCO[C@H](C#N)C3)CC2=O)cn1 599370232 HOQUEQGJIQJIGG-CMPLNLGQSA-N 303.322 -0.476 30 20 DBED C=CCn1cc(C(=O)N2CCCC[C@H]2CNC(=O)CCN)nn1 648128423 SCYSGBRFNDYODE-LBPRGKRZSA-N 320.397 -0.076 30 20 DBED CC#CC[C@@H](CO)NC(=O)CNS(=O)(=O)CCOC(C)C 649185797 LJSBDPDIFXHZDT-LBPRGKRZSA-N 320.411 -0.779 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N1CCN(CCCCO)CC1 746487759 JNCOZWZNYFAUGM-CYBMUJFWSA-N 312.414 -0.223 30 20 DBED C#C[C@@H](NC(=O)Cn1[nH]cc2c(=O)ncnc1-2)[C@@H]1CCCO1 775329756 NEKDPRNKNCIRDV-MNOVXSKESA-N 301.306 -0.632 30 20 DBED C#CCCCNC(=O)C(=O)NC[C@@H](C)CN1CCN(C)CC1 790186995 VELHAZJYGDBQQL-CQSZACIVSA-N 308.426 -0.484 30 20 DBED C#CCCS(=O)(=O)NCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 808301187 JMAGVOUBGQOAAQ-WUHRBBMRSA-N 322.386 -0.264 30 20 DBED COCC(=O)N[C@H](C(=O)N[C@H]1CCCN(O)C1=O)C(C)C 816756347 VSIYKHUTYGKWAO-ONGXEEELSA-N 301.343 -0.730 30 20 DBED CCN1C(=O)[C@H]2CN(C(=O)[C@@](C)(C#N)CC(=O)O)CCN2C1=O 820348239 MSCARGJMEQNAPX-YMTOWFKASA-N 322.321 -0.514 30 20 DBED C=CCNC(=O)CNC(=O)Cc1ccc(-c2nn[nH]n2)cc1 823919288 BKKPIPUFUVAWFY-UHFFFAOYSA-N 300.322 -0.172 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)c2cccnc2C)CC1 831561209 QNFYCKQVZPMFGC-UHFFFAOYSA-N 322.390 -0.385 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)/C=C(/C)COC)CC1 831579705 MTWVPCTXPRZSBS-BENRWUELSA-N 315.395 -0.809 30 20 DBED C=CCC[C@H](NC(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)OCC 837026490 SUMONWAJMITCSV-NSHDSACASA-N 323.349 -0.288 30 20 DBED C#C[C@H](NC(=O)N1CCN([C@@H]2CCNC2)CC1)[C@@H]1CCCO1 841879955 UKCGADDPWCUPCA-ILXRZTDVSA-N 306.410 -0.144 30 20 DBED C#C[C@H](NC(=O)Cn1nc2n(c1=O)CCCC2)[C@@H]1CCCO1 844485968 SCCOLZONSPAQPR-RYUDHWBXSA-N 304.350 -0.322 30 20 DBED N#CCCS(=O)(=O)NC(=O)[C@@]1(c2ccccc2)CNC(=O)C1 847707715 NJUAXHSCMGLRPN-CQSZACIVSA-N 321.358 -0.196 30 20 DBED C#CCCN(CCOC)C(=O)NCCCCS(N)(=O)=O 854092979 PLWVIUMVPUDFGJ-UHFFFAOYSA-N 305.400 -0.264 30 20 DBED C#CC[C@H](CO)NC(=O)CCc1c(C)nc2nc(N)nn2c1C 854547382 FJUDTBQSTXKOEH-LLVKDONJSA-N 316.365 -0.244 30 20 DBED C#CCOc1ccc(CNC(=O)[C@@H]2CC(=O)NC(=O)N2)cc1 854827025 ZKASBFNWVMRKAL-LBPRGKRZSA-N 301.302 -0.087 30 20 DBED C#CC[C@@H](CCOC)NS(=O)(=O)N1CCO[C@@H](C#N)C1 859423616 HGJDNYLVKLOFJZ-RYUDHWBXSA-N 301.368 -0.526 30 20 DBED C#CCOc1ccc(NC(=O)C(=O)N[C@@H]2CCOC[C@H]2O)cc1 862127878 SYRUTTKYULVQQZ-ZIAGYGMSSA-N 318.329 -0.097 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)NC1CCN(OC)CC1 875421496 ARSLUDASGAWPLX-LBPRGKRZSA-N 311.382 -0.327 30 20 DBED C=CCN1CC[C@H](NC(=O)CN2CCN(C)C(=O)C2)C[C@@H]1C 947463414 HAWJOIOGNDJALK-KBPBESRZSA-N 308.426 -0.085 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(NC(=O)[C@@H]2CCC(=O)N2C)CC1 948110331 WFRSBFMCQZJQNM-JQWIXIFHSA-N 306.366 -0.126 30 20 DBED C#Cc1cncc(C(=O)N(C)C2CN(C(=O)CC(N)=O)C2)c1 955262420 AQRQVBHAPYTUEM-UHFFFAOYSA-N 300.318 -0.779 30 20 DBED CC#CCN1C[C@H](O)[C@H](CNC(=O)c2cn(C)nc2OC)C1 958308916 CTWBLDFMZQUJPJ-YPMHNXCESA-N 306.366 -0.526 30 20 DBED COCc1nc(C(=O)NC[C@@H]2CN(CC#N)C[C@H]2O)cs1 958744853 WIMSGYGEGIVWNF-MWLCHTKSSA-N 310.379 -0.164 30 20 DBED COCc1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)no1 963262397 BRFRLJAUJIJWIO-AXTRIDKLSA-N 322.321 -0.718 30 20 DBED Cc1nonc1C(=O)NC[C@@H]1COCCN1C(=O)[C@H](C)C#N 964235491 GJTVGNTZXOJLPR-PSASIEDQSA-N 307.310 -0.505 30 20 DBED CCN(C(=O)[C@@H]1CC(=O)N(C)C1)C1CN(C(=O)C#CC2CC2)C1 968047217 PWPBEYZCRQQXBS-CYBMUJFWSA-N 317.389 -0.063 30 20 DBED C#CCN1C[C@H]2CC[C@H]1CN2C(=O)c1cnn2c(=O)cc[nH]c12 971897681 MJXXOEBBOAOMKI-NWDGAFQWSA-N 311.345 -0.055 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)C[C@@H]3CCC(=O)N3C)C2)C1 972493367 XRWBPKGEBALPMP-YOEHRIQHSA-N 319.405 -0.066 30 20 DBED N#CCN1C[C@H]2C(CNC(=O)c3coc(S(N)(=O)=O)c3)[C@@H]2C1 978364927 RVZDRZAEFYSRKU-QWRGUYRKSA-N 324.362 -0.642 30 20 DBED C=CCCN1C[C@@H]2C(CNC(=O)[C@H]3CC[C@@H](C(N)=O)O3)[C@H]2C1 978710941 ZVFXXTSYDCMGKG-YIYPIFLZSA-N 307.394 -0.111 30 20 DBED C[C@H]1[C@H](NCC#N)CCN1C(=O)Cn1[nH]cc2c(=O)ncnc1-2 987192307 ZWZHIUHOMFURIC-GXSJLCMTSA-N 315.337 -0.826 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC(NC(=O)c2cnns2)C1 990356985 KIOMMUBXQVPTOH-NSHDSACASA-N 319.390 -0.424 30 20 DBED CCn1nncc1C(=O)NC1CN(C(=O)c2cc(C#N)c[nH]2)C1 991186027 UCXALZXXCHCHNU-UHFFFAOYSA-N 313.321 -0.248 30 20 DBED CC#CCN1CC[C@@]2(NC(=O)Cn3c(O)nnc3O)CCC[C@H]12 992442304 BQSXXKSHISZXOX-NHYWBVRUSA-N 319.365 -0.174 30 20 DBED C[C@@H]1[C@@H](NC(=O)CN2CCN(C)C(=O)C2)CCCN1CC#N 993519422 JXBKTSYYDVWWLM-OLZOCXBDSA-N 307.398 -0.747 30 20 DBED C=CCN1CCC[C@H](NC(=O)c2cn(CC(N)=O)nn2)[C@@H]1C 994471766 BIMKICFYNCSXPL-QWRGUYRKSA-N 306.370 -0.468 30 20 DBED CN1C(=O)CC[C@@H]1CC(=O)NC1CN(C(=O)C#CC2CC2)C1 997365616 WSVPTHYBOUJODA-CYBMUJFWSA-N 303.362 -0.262 30 20 DBED CCn1nc(C(=O)NC2CN(C(=O)[C@H](C)C#N)C2)ccc1=O 997781446 XUTGNFLKPODFLH-SECBINFHSA-N 303.322 -0.637 30 20 DBED C[C@@H](C#N)C(=O)N1CC(CNC(=O)c2cccn(C)c2=O)C1 1003450597 JEQNDSVGMNLBTD-JTQLQIEISA-N 302.334 -0.267 30 20 DBED CC(=O)N1CCN(C(=O)N2CCN(C(=O)[C@H](C)C#N)CC2)CC1 1011330771 MJCNJMFBOSAYFY-GFCCVEGCSA-N 321.381 -0.426 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C(=O)[C@@H]2CCCC(=O)N2C)CC1 1011997486 CXKSQQHDJJYBBH-NEPJUHHUSA-N 306.366 -0.172 30 20 DBED C=CCCn1cc(C(=O)N[C@@H]2CCN(C(=O)C(N)=O)[C@@H]2C)nn1 1012022838 LZFUAOLVMRCXAG-NXEZZACHSA-N 320.353 -0.941 30 20 DBED C=CCCn1cc(C(=O)N[C@H]2C[C@H](N[C@H](C)C(N)=O)C2)nn1 1020714267 QASVRONENFAZIO-GMTAPVOTSA-N 306.370 -0.422 30 20 DBED Cc1cc2[nH]c(=O)c(C(=O)N[C@H]3C[C@@H](NCC#N)C3)cn2n1 1022852649 QNCPIFPQTWQVPH-AOOOYVTPSA-N 300.322 -0.295 30 20 DBED C#Cc1cncc(C(=O)NC[C@H]2CCCN(CC(N)=O)C2)c1 1023583736 NYWOKRPOZHJCOI-CYBMUJFWSA-N 300.362 -0.010 30 20 DBED Cc1cnoc1C(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1025447832 NBYWWJHEENTYGK-VXGBXAGGSA-N 303.318 -0.302 30 20 DBED Cn1cc(C(=O)N2C[C@H]3[C@@H](NCC#N)CC[C@H]3C2)ncc1=O 1026316732 HXDSQWAVLNIPDW-TUAOUCFPSA-N 301.350 -0.256 30 20 DBED CC#CCN1[C@H]2CC[C@H]1CN(C(=O)CN1C(=O)CNC1=O)C2 1029577162 GYKWRIQIDCDSDA-RYUDHWBXSA-N 304.350 -0.763 30 20 DBED N#CCN[C@H]1CC[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)CC1 1034797648 RXIQRCGDQOPDDH-GMTAPVOTSA-N 300.384 -0.781 30 20 DBED N#CCN1CCO[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)C2CC2)C1 1035544281 YWDYQPZJMSTZRS-KBPBESRZSA-N 320.393 -0.272 30 20 DBED C=CCN1CCO[C@@H](CNC(=O)[C@H]2CCc3nncn3C2)C1 1035609884 SKYDTHHPUXLZLK-STQMWFEESA-N 305.382 -0.157 30 20 DBED C=CCN[C@@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C[C@H]1CC 1037985835 XOAVHILTRKHUHN-VXGBXAGGSA-N 320.397 -0.220 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2CCN2[C@@H](CC)C(N)=O)nn1 1038793067 ZOGRPXLPDVNMFQ-PWSUYJOCSA-N 306.370 -0.468 30 20 DBED C#CCOCCC(=O)NC[C@@]1(O)CCN(C(=O)CCCF)C1 1039722428 WBJYUOWRZUONGW-HNNXBMFYSA-N 314.357 -0.144 30 20 DBED Cc1ccnn1CC(=O)N1CC[C@@](O)(CNC(=O)[C@H](C)C#N)C1 1040760852 AHSXADYRURLAPR-IAQYHMDHSA-N 319.365 -0.569 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)CCn2ccnc2)C1 1040766892 TWMORWJHQZRWFY-WFASDCNBSA-N 319.365 -0.488 30 20 DBED N#CCSCC(=O)NCC1(O)CN(C(=O)[C@@H]2[C@H]3CCC[C@H]32)C1 1041569398 WTDJHCVUODBFKR-PJXYFTJBSA-N 323.418 -0.021 30 20 DBED N#CCSCC(=O)NCC1(O)CN(C(=O)c2ccco2)C1 1041569414 XHPITFNAUFIJBB-UHFFFAOYSA-N 309.347 -0.161 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(O)CN(C(=O)c2cn[nH]c2)C1 1042807159 OYAMPOIWZZNEGE-CYBMUJFWSA-N 308.338 -0.960 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)CCCC#CC)C1 1043043336 INPZKBWLPWYIQG-CQSZACIVSA-N 320.389 -0.092 30 20 DBED C#CCN1CC(N(C)C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 1043425191 DYUQYWGOBKGMEU-CVEARBPZSA-N 321.421 -0.358 30 20 DBED Cc1cc(C#N)nc(N2C[C@H](O)[C@H](NC(=O)c3cc[nH]n3)C2)n1 1043861965 PVZQZZMKXMFBID-NEPJUHHUSA-N 313.321 -0.641 30 20 DBED C=C(C)C(C)(C)C(=O)N1CC(O)(CNC(=O)C2(C(N)=O)CC2)C1 1045494109 RVDNJBGSAXUZJS-UHFFFAOYSA-N 323.393 -0.456 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)c2ccnc(F)c2)C1 1045540918 MVORJXJUXAFECU-SECBINFHSA-N 306.297 -0.317 30 20 DBED Cc1cc(C(=O)N2CC(O)(CNC(=O)[C@H](C)C#N)C2)ns1 1045541366 UZXKMZOMBUSZFB-MRVPVSSYSA-N 308.363 -0.086 30 20 DBED CC(F)(F)CC(=O)NCC1(O)CN(C(=O)CSCC#N)C1 1046179500 FAPPFLWXLXQHNL-UHFFFAOYSA-N 321.349 -0.022 30 20 DBED C[C@@]1(NC(=O)c2ccc(C#N)[nH]2)CCN([C@H]2CCNC2=O)C1 1046249688 ZZLQOUOQYYTBFF-SWLSCSKDSA-N 301.350 -0.031 30 20 DBED CN(C(=O)Cn1cnc2c1CCCC2)[C@H]1CN(CC#N)C[C@@H]1O 1047460235 ALRWVDOZJIJEGY-GJZGRUSLSA-N 317.393 -0.211 30 20 DBED CC#CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1nnc(O)nc1O 1049573852 XFOAFOLKSXELBA-MNOVXSKESA-N 317.349 -0.015 30 20 DBED N#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)CN1C(=O)CNC1=O 1049886740 UCIRTDBJBGONDN-GHMZBOCLSA-N 305.338 -0.873 30 20 DBED C=C[C@@](C)(CC)C(=O)NC1CCN(CCNC(=O)C(N)=O)CC1 1055628919 LKKLMEPQRCSWFS-INIZCTEOSA-N 324.425 -0.229 30 20 DBED C=CC(C)(C)CC(=O)N[C@@]1(CO)CCCN(C(=O)C(N)=O)C1 1055957417 BGRDHKMQJQFWJM-HNNXBMFYSA-N 311.382 -0.456 30 20 DBED C[C@@H](C#N)C(=O)N[C@]1(CO)CCCN(C(=O)c2cn(C)cn2)C1 1056094931 YWNKURQGTSVFPG-XHDPSFHLSA-N 319.365 -0.337 30 20 DBED N#Cc1cnc(N[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)C2)c(F)c1 1056764422 VBYPHFMPGMMURE-KOLCDFICSA-N 318.312 -0.213 30 20 DBED Cc1cc(C(=O)N(CCO)CCNC(=O)C#CC2CC2)nn1C 1057107413 MJDUGICAANPXBB-UHFFFAOYSA-N 318.377 -0.307 30 20 DBED C=C[C@](C)(O)CC(=O)NCCN(CCO)C(=O)[C@H](CC)OC 1057153958 NCGSAJNORVFTSP-WFASDCNBSA-N 316.398 -0.324 30 20 DBED C#CCO[C@H](C)C(=O)N(CCO)CCNC(=O)c1cc(C)[nH]n1 1057583164 IJGSZJCWUNNMMG-GFCCVEGCSA-N 322.365 -0.693 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)CCN1CCCCC1 1057861096 IBWDBMXNGQYIJF-AWEZNQCLSA-N 324.425 -0.041 30 20 DBED CCn1nnc(C)c1C(=O)NCCN(CCO)C(=O)[C@H](C)C#N 1058656809 LBEPXEQRODJEKX-SNVBAGLBSA-N 322.369 -0.683 30 20 DBED N#Cc1nccnc1N[C@H]1CCN(C(=O)CCn2cnnn2)C1 1058947467 CLMQDYTWJJQPTN-JTQLQIEISA-N 313.325 -0.562 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)Cc1cnn(C)c1 1061412210 NAPMSNVBQPGFOS-YPMHNXCESA-N 319.365 -0.534 30 20 DBED CC(C)[C@@H](O)C(=O)N1CCOC[C@@H]1CNC(=O)C#CC1CC1 1061570299 YBCOKXDYQMGLRV-DZGCQCFKSA-N 308.378 -0.240 30 20 DBED C=CCCCC(=O)NC[C@@H]1COCCN1C(=O)[C@H]1CCC(=O)N1 1061829796 ZBWSJOBNBFAXCC-CHWSQXEVSA-N 323.393 -0.035 30 20 DBED N#Cc1ccc(N2CCO[C@H](CNC(=O)[C@@H]3CCCO3)C2)nn1 1063605313 HDLFLRSVWSMHNP-OLZOCXBDSA-N 317.349 -0.151 30 20 DBED N#CCSCC(=O)NC[C@@H]1CN(C(=O)C(F)F)CCO1 1064717050 MUKKAJSDZJSTPT-MRVPVSSYSA-N 307.322 -0.148 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H]1CN(C(=O)CSC)CCO1 1064820912 GTQDAEUDWHIAEZ-RYUDHWBXSA-N 314.407 -0.269 30 20 DBED NC(=O)NCCC(=O)N1CCC[C@H](NC(=O)C#CC2CC2)CC1 1066157848 VRSCCJNLHUNSSU-ZDUSSCGKSA-N 320.393 -0.045 30 20 DBED N#Cc1cncc(N2CCOC[C@H]2CNC(=O)c2cc[nH]n2)n1 1066463687 BEWNVQQEVXMVTH-LLVKDONJSA-N 313.321 -0.293 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@@H](CNC(=O)c3ccnnc3)C2)nc1 1067694452 ZWVMGKZGKFZYAL-UONOGXRCSA-N 324.344 -0.030 30 20 DBED C=CCOCC(=O)N[C@@H]1COC2(C1)CN(C(=O)c1cnon1)C2 1068763887 DYHZLWGTXFGODM-JTQLQIEISA-N 322.321 -0.628 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2n[nH]c(C)c2O)C1 1069911076 VJMHWKDWTFFSIX-MNOVXSKESA-N 315.337 -0.696 30 20 DBED Cn1nccc1CC(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1 1069917362 OHWDGFNKFMHCTJ-OLZOCXBDSA-N 314.353 -0.881 30 20 DBED C=CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2nnn(C)n2)C1 1070000972 ZHHXPIKNVFLWBN-MNOVXSKESA-N 317.357 -0.967 30 20 DBED Cc1nn[nH]c1C(=O)N1C[C@@H]2C[C@@H]3CN(CC#N)C[C@]2(C1)O3 1070833637 MJVNIWCMHKWNGV-MISXGVKJSA-N 302.338 -0.448 30 20 DBED C#CCN1CC[C@@]2(C1)CN(C(=O)CCn1cncn1)C[C@H](C)O2 1071137270 YOGXWZZOYZKQKM-GOEBONIOSA-N 317.393 -0.007 30 20 DBED C=CCCOCC(=O)N1C[C@H](C)[C@@H](NC(=O)CNC(N)=O)C1 1072329195 HUFKRRRSUAOICY-QWRGUYRKSA-N 312.370 -0.790 30 20 DBED CC1(NC(=O)C(N)=O)CCN(C(=O)c2c[nH]c(C#N)c2)CC1 1072959027 CQFOJINVOGWJRO-UHFFFAOYSA-N 303.322 -0.517 30 20 DBED C=CCOCC(=O)NC1(C)CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 1073223988 KLZDLZJWBRZYCC-NSHDSACASA-N 324.381 -0.632 30 20 DBED CC#CCN1CCO[C@H]2CCN(C(=O)c3nccnc3N)C[C@@H]21 1074195290 SKPZBKFMYUDYTJ-STQMWFEESA-N 315.377 -0.003 30 20 DBED C=CCOCC(=O)NCC1(O)CCN(C(=O)c2ccon2)CC1 1074496099 JFWAEOSQCYZNQS-UHFFFAOYSA-N 323.349 -0.040 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H](C)CCNC(=O)Cn1cnnn1 1075557732 KATFRUUYXLODNN-GXFFZTMASA-N 310.358 -0.989 30 20 DBED C=C[C@](C)(O)CC(=O)NCC[C@H](C)NC(=O)COCCOC 1076300690 QUAPQGUBVMDKFO-WFASDCNBSA-N 316.398 -0.013 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCCS2(=O)=O)C1 1077121222 MJSZWRHETHRQNQ-UTUOFQBUSA-N 302.396 -0.699 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2ncoc2[C@@H]2CCCO2)C1 1077507982 GBUOUQJDUXVYIA-UTUOFQBUSA-N 305.334 -0.066 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)c2c(OC)ccnc2O)C1 1078015818 KLYOISRCNDXZTE-GHMZBOCLSA-N 305.334 -0.406 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCS2(=O)=O)C1 1078204838 SIBGGOMZTLTSCY-UTUOFQBUSA-N 302.396 -0.699 30 20 DBED Cn1cnc(C(=O)N[C@H]2C[C@@H](NCC#N)C23CCC3)cc1=O 1078649801 OFWOXFNPRFGCJR-NEPJUHHUSA-N 301.350 -0.066 30 20 DBED Cc1nonc1C(=O)NC1(CO)CCN(C(=O)[C@H](C)C#N)CC1 1080906401 SXCNEGQJONUFQV-SECBINFHSA-N 321.337 -0.379 30 20 DBED C#CCN1CCC(C(=O)N2C[C@H](O)[C@H](CNC(=O)CC)C2)CC1 1081145012 VMRQSVUKHYPVTH-CABCVRRESA-N 321.421 -0.323 30 20 DBED COCCC(=O)NC[C@H]1CN(C(=O)CSCC#N)C[C@H]1O 1081146175 DRQQCGSUTFGXFN-WDEREUQCSA-N 315.395 -0.785 30 20 DBED Cc1c[nH]nc1C(=O)N1C[C@@H](O)[C@@H](CNC(=O)C#CC2CC2)C1 1081471141 JTCPLKAJLCQTBH-QWHCGFSZSA-N 316.361 -0.319 30 20 DBED C=CCOCC(=O)N1C[C@H](CNC(=O)c2c[nH]nc2C)[C@@H](O)C1 1081636457 AIKYQHMTOUHLSG-AAEUAGOBSA-N 322.365 -0.530 30 20 DBED C=CCCCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cnon2)C1 1081682113 LREDJYXZIDWSDV-PWSUYJOCSA-N 308.338 -0.025 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CCN(C)C1=O 1083167994 ILQFRUXOUQATBB-MELADBBJSA-N 305.378 -0.600 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cc(COC)on1 1083216783 QVDLLKIZZJRHJY-UONOGXRCSA-N 305.334 -0.021 30 20 DBED C=CCn1cc(C(=O)N2CCO[C@@H]3CN(C[C@H](C)O)C[C@@H]32)nn1 1083217583 FYDMNDKNBVAOLB-FPMFFAJLSA-N 321.381 -0.630 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)[C@H]2CCS(=O)(=O)C2)C1 1083617885 HJYMAYUASAQOBE-TUAOUCFPSA-N 302.396 -0.842 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)c2ccc3nnn(C)c3c2)C1 1084000645 IVNRNCZTQZODAH-OCCSQVGLSA-N 301.350 -0.071 30 20 DBED C#CCN[C@@H]1CCCCCN(C(=O)CC[C@H]2NC(=O)NC2=O)C1 1088421825 AMUWCNWUDHTUJA-CHWSQXEVSA-N 320.393 -0.031 30 20 DBED N#Cc1cc(C(=O)N[C@H]2CCN(Cc3cnon3)C[C@@H]2O)c[nH]1 1090195468 VBNCFEQXEINOIG-STQMWFEESA-N 316.321 -0.365 30 20 DBED Cc1nnc2ccc(C(=O)N[C@H]3CCN(CC#N)C[C@H]3O)cn12 1090377161 HTSCCFGDMPTLQA-QWHCGFSZSA-N 314.349 -0.274 30 20 DBED CC(C)[C@@H](O)C(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@H]1O 1090408634 XZKJLEAWEYZKBN-JHJVBQTASA-N 304.350 -0.364 30 20 DBED N#Cc1nccnc1N1C[C@@H](O)[C@H](NC(=O)C2(CF)CC2)C1 1090528495 ULHDIVUALCRNBO-GHMZBOCLSA-N 305.313 -0.236 30 20 DBED CC#CCN1CC[C@H](NC(=O)C(=O)N2CCC(C)CC2)[C@H](O)C1 1090629110 FOXXYFIEBPANKX-LSDHHAIUSA-N 321.421 -0.180 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2cc3ncccn3n2)[C@H](O)C1 1090660015 NGQROZLIMLHPET-ZYHUDNBSSA-N 300.322 -0.582 30 20 DBED C=CCN1C[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@]2(C)C1 1092007713 JOKCNHFFOHLBNR-IATRGZMQSA-N 307.394 -0.014 30 20 DBED C#CCOCCC(=O)N[C@H]1[C@@H]2CN(c3ccc(C#N)nn3)C[C@@H]21 1093310419 IHIFARORGSHAFH-VIKVFOODSA-N 311.345 -0.061 30 20 DBED C#CCNC(=O)CC(=O)NCCN=c1ccc2ncc[nH]c-2n1 1093558462 WOJIRUHVIRPXDM-UHFFFAOYSA-N 312.333 -0.934 30 20 DBED CC(C)c1nnnn1CC(=O)NCCNc1cnc(C#N)cn1 1094170414 BSHIDCHEXPWXQP-UHFFFAOYSA-N 315.341 -0.314 30 20 DBED C[C@@H](C(=O)NCCNc1ccc(C#N)nn1)N1C(=O)CCC1=O 1094201660 LBNLGIFXQFAWDX-VIFPVBQESA-N 316.321 -0.586 30 20 DBED CCN(CCCNC(=O)[C@H](C)NC(N)=O)c1ccnc(C#N)n1 1095866047 GBFQONQWYVEICC-JTQLQIEISA-N 319.369 -0.262 30 20 DBED C#CCCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN1CC(=O)NC1=O 1096187842 TVWPOTJTNLRKTI-WOPDTQHZSA-N 304.350 -0.717 30 20 DBED CC(C)(C(N)=O)C(=O)N[C@H]1CCN(c2nccnc2C#N)C1 1096444946 RRNRHOGAZFSARW-VIFPVBQESA-N 302.338 -0.445 30 20 DBED N#Cc1nccc(N2CC[C@@H](NC(=O)C(=O)NCC(F)F)C2)n1 1096446702 SAMYLCXBCIQAPP-MRVPVSSYSA-N 324.291 -0.576 30 20 DBED CC[C@@H](NC(C)=O)C(=O)N[C@H]1CCN(c2cncc(C#N)n2)C1 1096485645 LFWAIJLWAIBIDY-WCQYABFASA-N 316.365 -0.042 30 20 DBED CNC(=O)CC(=O)NC[C@H](Nc1cnc(C#N)cn1)C1CC1 1096651288 IGESGHKSIFYJRA-NSHDSACASA-N 302.338 -0.209 30 20 DBED CC[C@@H](NC(C)=O)C(=O)N[C@H]1C[C@H](N=c2cc[nH]c(C#N)n2)C1 1097106486 SKFPXNNMJMFNPA-IJLUTSLNSA-N 316.365 -0.256 30 20 DBED C[C@@H](CNC(=O)COCCN(C)C)Nc1nccnc1C#N 1097954520 WRAIVPOOPVWEMZ-NSHDSACASA-N 306.370 -0.157 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CCC[C@@H](N=c2cc[nH]c(C#N)n2)C1 1098618330 ZHJJIVLOBIBFBV-GHMZBOCLSA-N 316.365 -0.254 30 20 DBED C#CCCCC(=O)N[C@H]1CCN(CC(=O)N(C)C2CC2)C[C@@H]1O 1099807607 SDRUFRMQXWXEBS-GJZGRUSLSA-N 321.421 -0.038 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)CCN2C(=O)CCC2=O)[C@@H](O)C1 1099908453 DMKXPLIZJNLXCY-OLZOCXBDSA-N 323.393 -0.347 30 20 DBED Cc1nnc(CC(=O)NCCN(C)c2nccnc2C#N)o1 1100052407 PTYXNUHAYIGTAD-UHFFFAOYSA-N 301.310 -0.165 30 20 DBED C=CCCCN1CC[C@H](NC(=O)CS(=O)(=O)CC)[C@H](O)C1 1100129774 RTFPYODQYAUIAW-QWHCGFSZSA-N 318.439 -0.061 30 20 DBED C[C@H]1CC(=O)N[C@@H](C(=O)NCCN(C)c2nccnc2C#N)C1 1100363462 GALSEVNQGQGFKC-GHMZBOCLSA-N 316.365 -0.185 30 20 DBED CN1CC[C@@H](C(=O)NCC2CC(NCC(=O)NCC#N)C2)C1 1100982239 PFVSKBZPRSBHGQ-OTTFEQOBSA-N 307.398 -0.938 30 20 DBED CN(C(=O)CNC(N)=O)[C@@H]1CCN(c2cnc(C#N)cn2)C1 1102668151 FWEDVABQSFLGIT-SNVBAGLBSA-N 303.326 -0.946 30 20 DBED CC[C@H](CNC(=O)C1CS(=O)(=O)C1)Nc1nccnc1C#N 1103200073 ONTZCTMUHULYDW-SNVBAGLBSA-N 323.378 -0.300 30 20 DBED C[C@](CNc1cnc(C#N)cn1)(NC(=O)CNC(N)=O)C1CC1 1103481086 FFKKCAKHAZIBIU-CQSZACIVSA-N 317.353 -0.287 30 20 DBED C[C@@H](CNC(=O)Cc1nc[nH]n1)CNc1ccc(C#N)nn1 1104075230 JWBRDKQOWCHKRT-SECBINFHSA-N 300.326 -0.127 30 20 DBED C[C@@H](CNC(=O)c1c[nH]c(=O)cn1)CNc1nccnc1C#N 1104167156 MTZCFDSYESJRHS-SECBINFHSA-N 313.321 -0.090 30 20 DBED C[C@@H](CN=c1cc[nH]cc1C#N)N(C)C(=O)[C@@H]1CCNC1=O 1104764284 PONACJOUPKGFLL-CMPLNLGQSA-N 301.350 -0.230 30 20 DBED CN(CCN(C)c1ccc(C#N)nn1)C(=O)[C@]1(C)CNC(=O)C1 1105510732 OUFWEVKXUTXHFD-HNNXBMFYSA-N 316.365 -0.231 30 20 DBED CN(CCN(C)c1nccnc1C#N)C(=O)c1cnc(O)n1C 1105535819 YLZPEPNHUUTRMC-UHFFFAOYSA-N 315.337 -0.004 30 20 DBED CCCCO[C@@H](C)C(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1 1105738158 PUJCTCIBTFCMDT-NWDGAFQWSA-N 321.381 -0.136 30 20 DBED N#Cc1cnc(NC[C@H](O)CNC(=O)[C@@H]2COC(=O)N2)c(F)c1 1105834937 BXLLGTQHRCKLNO-WPRPVWTQSA-N 323.284 -0.910 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)CNC(=O)C1CC1 1106709439 LQUACQDUXJVONH-UHFFFAOYSA-N 316.365 -0.443 30 20 DBED CNC(=O)CCCC(=O)NC/C=C/CN=c1cc[nH]c(C#N)n1 1107130895 AHRIMDZWFDQEFW-NSCUHMNNSA-N 316.365 -0.229 30 20 DBED COCC#CCN1CC[C@@]2(CNC(=O)CC(N)=O)CCC[C@@H]12 1107347798 DEBSUOZHUDIVJW-CZUORRHYSA-N 307.394 -0.128 30 20 DBED CC#CCN1CCO[C@](C)(CNC(=O)CCn2ccnn2)C1 1107897229 DIXRTVMJUHMHRL-OAHLLOKOSA-N 305.382 -0.101 30 20 DBED C[C@@]1(CNC(=O)[C@H]2CCc3nncn3C2)CN(CC#N)CCO1 1108415883 OWWNWNHJWZLUFU-SWLSCSKDSA-N 318.381 -0.429 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)CC3(COC)CC3)CC2=O)C1 1108545502 XCTROYPLTNSNQY-ZDUSSCGKSA-N 319.405 -0.162 30 20 DBED C=CCOCC(=O)N1C[C@H]2C[C@@H](NCc3nnnn3C)C[C@H]1C2 1108649200 FMXBHVMDHBVSDP-YNEHKIRRSA-N 320.397 -0.118 30 20 DBED C[C@@H](CN(C)c1nccnc1C#N)NC(=O)CCCC(N)=O 1109013361 VNUTZBCHFXENMQ-JTQLQIEISA-N 304.354 -0.055 30 20 DBED CN(C)C(=O)CC(=O)N[C@]1(C)CCN(c2nccnc2C#N)C1 1110817856 MTIUYRNFWLOXAQ-OAHLLOKOSA-N 316.365 -0.088 30 20 DBED CCOCC(=O)N1CCO[C@@H](CN=c2cc[nH]c(C#N)n2)C1 1111928537 YAINEMXYNUZFSH-NSHDSACASA-N 305.338 -0.554 30 20 DBED CN(CCCN(C)c1cnc(C#N)cn1)C(=O)Cn1cnnn1 1112040392 INJKKHSUFQKVDZ-UHFFFAOYSA-N 315.341 -0.680 30 20 DBED COCC#CCNC[C@]12CCC[C@H]1CN(C(=O)CNC(C)=O)C2 1112240428 QGYBXDFEDWPKKP-RDJZCZTQSA-N 321.421 -0.009 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)C2CCOCC2)CC1 1112595809 TUECLEGTCPQWHD-ZDUSSCGKSA-N 307.394 -0.305 30 20 DBED COCC#CCN1CCN(C(=O)CCNC(=O)[C@@H]2C[C@@H]2C)CC1 1112910753 KGZWGLHIUZIQTI-LSDHHAIUSA-N 321.421 -0.057 30 20 DBED C=CCOCC(=O)NC[C@H](C)N(C)c1nccn2nnnc12 1113541123 KZWXDGWVHXANPE-JTQLQIEISA-N 305.342 -0.337 30 20 DBED COCC#CCN1CCN(C(=O)c2cnn(CCOC)c2)CC1 1113589748 BXCQYABUAXGIPY-UHFFFAOYSA-N 320.393 -0.063 30 20 DBED C=C(C)CN1C[C@H]2[C@H](NC(=O)[C@H](C)NS(C)(=O)=O)[C@H]2C1 1114888343 FKDKXWOTKFRUMU-NNYUYHANSA-N 301.412 -0.453 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H]1[C@@H]2CN(CCCO)C[C@@H]21 1114934675 CGHOYHLZGFOWMW-BARDWOONSA-N 309.410 -0.114 30 20 DBED C=CCOCCN1C[C@H]2C(NC(=O)C[C@@H]3CCC(=O)N3)[C@@H]2C1 1114959431 CJWYJADQQJDFLV-YNEHKIRRSA-N 307.394 -0.096 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3ncccn3)[C@H]2C1 1114998841 WZLDLMJKLMMQKB-PJXYFTJBSA-N 301.350 -0.561 30 20 DBED CNC(=O)NCCC(=O)N(C)C[C@H](C)N=c1cc[nH]cc1C#N 1115704297 JNZLPYONZWPKCM-NSHDSACASA-N 318.381 -0.047 30 20 DBED C#CCSCCNC(=O)C(=O)NC[C@@H](C)S(C)(=O)=O 1117434207 RJJIIPWPKWGVEF-SECBINFHSA-N 306.409 -0.982 30 20 DBED C=C[C@H](COC)NC(=O)CNS(=O)(=O)c1c(C)noc1C 1117679853 IKGDQBWHKFAAJJ-SNVBAGLBSA-N 317.367 -0.113 30 20 DBED N#Cc1cncc(N[C@@H](CO)CNC(=O)c2cc[n+]([O-])cc2)n1 1121010313 NBEPNTKQSNEIAF-GFCCVEGCSA-N 314.305 -0.816 30 20 DBED Cc1cc(C#N)nc(N[C@@H](CO)CNC(=O)C2=COCCO2)n1 1121010835 RWOVCZGHPYXBJY-LLVKDONJSA-N 319.321 -0.566 30 20 DBED Cn1cc(C(=O)NC[C@@H](CO)Nc2ccc(C#N)nn2)cn1 1121023283 DIIFMKFZVDRXPZ-NSHDSACASA-N 301.310 -0.715 30 20 DBED CC(=O)NCC(=O)NC[C@@H](CO)Nc1ncc(C#N)cc1F 1121129881 XZWNBAPSRRCJCF-JTQLQIEISA-N 309.301 -0.883 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)c2nccnc2N)nc1 1121228540 JYWIQPOSCUBWCL-JTQLQIEISA-N 313.321 -0.472 30 20 DBED COCCOCCC(=O)NC[C@@H](CO)N=c1cc[nH]cc1C#N 1121699736 OZEBTJAJWQFAHP-ZDUSSCGKSA-N 322.365 -0.683 30 20 DBED COc1ccc(C(=O)NC[C@H](CO)N=c2cc[nH]c(C#N)n2)o1 1121914872 SXNWWAGJWVLHPA-SECBINFHSA-N 317.305 -0.425 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)c2cncnc2O)cn1 1122170660 LPPJZZOMCPQHMU-NSHDSACASA-N 314.305 -0.348 30 20 DBED C[C@@H](CC(N)=O)C(=O)NC[C@@H](CO)Nc1ncccc1C#N 1122354137 GVYKIJVHCMUMGF-ONGXEEELSA-N 305.338 -0.646 30 20 DBED CN(C[C@@H](O)CN(C)c1cncc(C#N)n1)C(=O)c1nc[nH]n1 1125139198 HAIPGABINLWORS-JTQLQIEISA-N 316.325 -0.964 30 20 DBED COC[C@H](C)C(=O)N[C@@H]1CCc2nnc(CNCC#N)n2CC1 1127959301 YRQPJDAKGXMXQD-NWDGAFQWSA-N 320.397 -0.005 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)CCn2cccn2)C1 1128724220 VWHDGBMOPBUDOL-KGLIPLIRSA-N 313.365 -0.460 30 20 DBED C=CCOCCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H](C)C#N)C1 1128829085 AQRKXXRVZWKYFJ-MCIONIFRSA-N 318.381 -0.018 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CCn2cncc2C1 1130407172 KSJIHKYVPMIOGZ-OLZOCXBDSA-N 317.393 -0.711 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@H](C)NC(C)=O)C[C@H]1c1cn(C)cn1 1130488081 NVJJHSQNIGEHTM-CORIIIEPSA-N 317.393 -0.538 30 20 DBED Cn1cnn(CC(=O)NCCNCc2ccc(C#N)s2)c1=O 1130591036 QDPKQYASYMCIBL-UHFFFAOYSA-N 320.378 -0.579 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2nc[nH]n2)CC[C@H]1C 1132369055 TUCWWHGANKVJFL-MNOVXSKESA-N 304.354 -0.863 30 20 DBED N#Cc1cc(CNCCNC(=O)[C@H]2CNC(=O)N2)ccc1F 1133129484 ZLUQDJMZNVIAND-GFCCVEGCSA-N 305.313 -0.415 30 20 DBED Cc1nn(CC(=O)N2CC[C@@H](C)[C@H](CNCC#N)C2)c(=O)n1C 1133289398 UOFZAHOIANWQSP-DGCLKSJQSA-N 320.397 -0.512 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)c1ccc(O)nc1)NCC(=O)NCC#N 1136075084 ROCYQDQDBWEYPA-WDEREUQCSA-N 319.365 -0.087 30 20 DBED C#CCN1CCC(C(=O)NCCNCc2n[nH]c(C)n2)CC1 1152329974 GEZGDLXRQNMTDY-UHFFFAOYSA-N 304.398 -0.336 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1ccc2nc(O)oc2c1 1152542702 ODEHDZYUVBFISG-UHFFFAOYSA-N 316.317 -0.398 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)C1(CN(C)C)CC1 1154894576 TWOAJHCSVFQZKU-CYBMUJFWSA-N 323.441 -0.205 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCCNCCS(C)(=O)=O 1160198084 QTPLQMMLFQEQMQ-ZDUSSCGKSA-N 315.439 -0.776 30 20 DBED CC#CCNCC1(CCNC(=O)Cn2cnc(C(N)=O)n2)CC1 1164575781 HFSACBBMPBEZNP-UHFFFAOYSA-N 318.381 -0.724 30 20 DBED C#CCCNCCCNC(=O)CS(=O)(=O)NC(C)(C)C 1176350073 VOHLNAMYRDAIRQ-UHFFFAOYSA-N 303.428 -0.177 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2ccn(C)c2)C1 1182014659 HAAWVKKSASMJAN-GXTWGEPZSA-N 302.378 -0.033 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](N[C@@H]2CCC(=O)NC2=O)C1 1182515039 ZGOPIIPVFVWHDL-VXGBXAGGSA-N 307.350 -0.978 30 20 DBED O=C(Cn1ncnn1)N1CC[C@@H](NCC#Cc2ccccc2)C1 1182599489 VSTSVFUOTRPKON-OAHLLOKOSA-N 310.361 -0.085 30 20 DBED C[C@@H]1CN(C(=O)c2ncc[nH]2)CC[C@@H]1CNCC(=O)NCC#N 1184311425 HOAKHBSCRKBUTI-VXGBXAGGSA-N 318.381 -0.263 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CN(Cc3ncnn3C)C[C@H]21 1187882779 VUEZQBCKMKJPFA-MELADBBJSA-N 317.393 -0.114 30 20 DBED C=CCCOCC(=O)N1CC[C@@H](N[C@@H]2CCC(=O)NC2=O)C1 1188294162 FPDALIHTEKGBLE-VXGBXAGGSA-N 309.366 -0.425 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC[C@@H](NCCN2C(=O)CCC2=O)C1 1188302089 RROYZDBMURFAKN-QWHCGFSZSA-N 323.393 -0.083 30 20 DBED C=CCCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2cnon2)C[C@H]1O 1191614903 QPOQODHFJBQBJS-CYZMBNFOSA-N 310.354 -0.288 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)COCCCC)C1 1191935460 ANZNQCXKTDRQHL-CHWSQXEVSA-N 313.398 -0.733 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)C[C@@H](C)N2CCCCC2=O)C1 1192943984 PQISANQRFCGMNF-MGPQQGTHSA-N 307.394 -0.428 30 20 DBED CCc1n[nH]cc1C(=O)N[C@@H]1CN(CC#CCOC)C[C@H]1O 1194375295 GTASJFTXOHWTQD-ZIAGYGMSSA-N 306.366 -0.603 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)C(F)(F)F)C1 1195399461 AYZATWCRNSMFSC-GMTAPVOTSA-N 308.300 -0.004 30 20 DBED CC#CCCCC(=O)N[C@@H]1CN(Cc2nc(O)n[nH]2)C[C@H]1O 1195467122 JJLHUXQEMPIYTE-GHMZBOCLSA-N 307.354 -0.635 30 20 DBED C#CCOCCC(=O)N1CCCN(Cc2nnn(C)n2)CC1 1195824282 QGNCMNPQLAMGNU-UHFFFAOYSA-N 306.370 -0.716 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCCN(C(=O)[C@H](C)CC(N)=O)CC1 1196771111 SJBCBAZHZRSEHV-CHWSQXEVSA-N 324.425 -0.277 30 20 DBED C=CCCOCC(=O)N1CCCN([C@@H]2CCC(=O)NC2=O)CC1 1198324646 VNSLBRBZYRDPHI-CYBMUJFWSA-N 323.393 -0.081 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CCN(C(=O)[C@@H]2CCCO2)CC1 1199216347 CCLOCEXGGFZUOE-OCCSQVGLSA-N 307.394 -0.116 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)c2cc(=O)n(C)o2)CCCO1 1200380249 SUUJQGDIOBEJAO-GFCCVEGCSA-N 307.350 -0.178 30 20 DBED N#CCNC[C@H]1CN(C(=O)CNC(=O)N2CCCC2)CCCO1 1200499863 CPDSHVNSVZSZRJ-ZDUSSCGKSA-N 323.397 -0.478 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC(NCCn2cncn2)CC1 1200541240 LLZKZMOGKSAKRI-ZDUSSCGKSA-N 305.382 -0.103 30 20 DBED C=CCCNC1CCN(C(=O)CNS(=O)(=O)NC)CC1 1201830091 QBFZRNHAHBAREX-UHFFFAOYSA-N 304.416 -0.803 30 20 DBED C#CCNC[C@@H]1CN(C(=O)[C@@H](NC(N)=O)C(C)(C)C)CCCO1 1201871372 JMNQIRUGAZPYGR-CHWSQXEVSA-N 324.425 -0.090 30 20 DBED C=CCCNC[C@@H]1CN(C(=O)CN2C(=O)CCC2=O)CCCO1 1202021972 ROHJNZLWMGMJJK-CYBMUJFWSA-N 323.393 -0.081 30 20 DBED C#CCNC(=O)[C@H](C)NC1CCN(C(=O)Cc2ncc[nH]2)CC1 1203058254 GRFAOVCKJPUSMF-LBPRGKRZSA-N 317.393 -0.329 30 20 DBED C#CCN[C@H]1C[C@H](NC(=O)COCc2ncnn2C)C12CCC2 1203554830 GDYDLAIQIRJVNC-STQMWFEESA-N 317.393 -0.018 30 20 DBED CCO[C@H](C)C(=O)N1CCC(CNCC(=O)NCC#N)CC1 1204587665 XKVBVNAJGPPXOZ-GFCCVEGCSA-N 310.398 -0.121 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCC[C@H](NCc2nc(O)n[nH]2)C1 1207949508 CHULMMPTQDMHOF-IINYFYTJSA-N 309.370 -0.082 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC[C@H](NCCn2cncn2)C1 1208025051 GCTJTTQTPZFRBZ-KGLIPLIRSA-N 305.382 -0.103 30 20 DBED C#CCCN[C@H]1CCCN(C(=O)[C@@H](C)NS(C)(=O)=O)C1 1209835435 BJFZSNDUZRCZIS-NEPJUHHUSA-N 301.412 -0.472 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)c2cc(OC)no2)C[C@H]1C 1214466048 FAEWYZUBOKQFCD-GHMZBOCLSA-N 320.349 -0.517 30 20 DBED C#CCOCCC(=O)N1C[C@@H](NCC(=O)NCC=C)[C@H](C)C1 1214606825 RVEHHDCVQAOHPP-ZIAGYGMSSA-N 307.394 -0.235 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)C(C)(F)F)C1 1219097502 UFGQVSIKPQSQLV-BBBLOLIVSA-N 305.325 -0.506 30 20 DBED N#Cc1ccccc1CN1C[C@H](O)[C@H](NC(=O)CC(N)=O)C1 1219403153 SIBRRJINDCGBAX-OLZOCXBDSA-N 302.334 -0.905 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)CCc2cnn(C)c2C)C1 1219713758 HEGRHSMVAGNPLO-CABCVRRESA-N 304.394 -0.154 30 20 DBED C#CCC1(C(=O)N[C@@H]2CN(CC(=O)N(C)C)C[C@@H]2O)CCC1 1219783682 DNHIJUZRMJSKQA-OLZOCXBDSA-N 307.394 -0.571 30 20 DBED CC(=O)NC1(C(=O)N[C@@H]2CN(CC#N)C[C@@H]2O)CCCCC1 1219894442 DRNZENCQMPBRFR-OLZOCXBDSA-N 308.382 -0.490 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)CCC(F)F)C1 1220021143 JHIUFCFKLQBNKV-AXFHLTTASA-N 317.336 -0.669 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2cc(C)co2)C1 1220176932 XITBKADBWXKAAE-NEPJUHHUSA-N 305.334 -0.888 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)CS(=O)(=O)CCC)C1 1220999545 GYSUWEIHUCXQKZ-MNOVXSKESA-N 324.830 -0.275 30 20 DBED COCC#CCN1CC[C@@H]2CN(C(=O)[C@@H]3CN(C)CCO3)[C@@H]2C1 1221461201 AHJJMYOEEQBOAH-OAGGEKHMSA-N 321.421 -0.501 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3cn(C)cn3)[C@@H]2C1 1221477615 FDNTXQFHBNMZEW-TZMCWYRMSA-N 315.377 -0.684 30 20 DBED C[C@H](C#N)C(=O)NC1CCN(CCN(C)S(C)(=O)=O)CC1 1226626230 VZFDGFBTWFTMQM-LLVKDONJSA-N 316.427 -0.382 30 20 DBED C=C[C@](C)(O)CC(=O)NC1CCN(C[C@@H](O)COC)CC1 1227124334 RAEHATROMVMJAQ-HIFRSBDPSA-N 300.399 -0.099 30 20 DBED C=CCOCCN1CCC(NC(=O)[C@H]2CN(C)C(=O)N2)CC1 1228597849 WNSDSTUZMMQPDI-CYBMUJFWSA-N 310.398 -0.207 30 20 DBED COCCC(=O)NCC[C@@H]1CN(CC#N)CCS1(=O)=O 1230398444 BKBWGTNBKWOQKE-LLVKDONJSA-N 303.384 -0.848 30 20 DBED CCS(=O)(=O)N[C@H](C)C(=O)N(C)C[C@H]1CCN1CC#N 1234447555 WXBUIESFOQGSQC-GHMZBOCLSA-N 302.400 -0.630 30 20 DBED COCC#CCN1CC[C@H]1CN(C)C(=O)c1cnnc(O)c1 1235603089 SQEGMTBJTDGXGN-ZDUSSCGKSA-N 304.350 -0.022 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)N[C@@H]2CCC[C@@H]3OCC[C@@H]32)C1 1261471207 MFCUBJLDKJSOBD-FOCJUVANSA-N 321.377 -0.063 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CCCN(CCS(C)(=O)=O)C1 1317931270 LPWGGZGXHGRIBS-CHWSQXEVSA-N 316.423 -0.350 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 1321003506 KAVJKPFBFLFJFJ-TZMCWYRMSA-N 316.423 -0.355 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)NCCCN2CCCCC2)CCO1 1321371026 OBHVCRPOKKWULC-ZDUSSCGKSA-N 308.382 -0.270 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)NC2CCC3(CC2)OCCO3)CCO1 1321553812 DXXLPCRKBNPFPW-GFCCVEGCSA-N 323.349 -0.461 30 20 DBED C=C(C)COCCNC(=O)C(=O)N(CC)CCS(C)(=O)=O 1323893015 ZHBYVYGJHVRFMR-UHFFFAOYSA-N 320.411 -0.412 30 20 DBED C#CCSCCNC(=O)C(=O)N1CC[C@H](C(=O)OC)[C@H]1C 1326870585 OXSVXVFHNFCIKP-MNOVXSKESA-N 312.391 -0.121 30 20 DBED C=CC1CCN(C(=O)C(=O)N2CCO[C@H](CNC(C)=O)C2)CC1 1328398438 RKRDNWCVUZVXEA-CQSZACIVSA-N 323.393 -0.226 30 20 DBED CO[C@@H]1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@](O)(CC#N)C1 1329328772 FXUAEJBFVWVUQL-LALPHHSUSA-N 309.366 -0.205 30 20 DBED C#CCN1CCC[C@H](NC(=O)NC[C@@H](O)Cn2ccnn2)C1 1330934105 IHCGQCGYMCJRBS-QWHCGFSZSA-N 306.370 -0.964 30 20 DBED CN1CCC[C@@H](NC(=O)C(=O)NCc2ccc(C#N)cc2)C1=O 1332585110 ZBGDOCSYNAKQLX-CYBMUJFWSA-N 314.345 -0.089 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N[C@@H](C)c1ncnn1C 1332750430 ZVGTYYGBJGFDDX-QWRGUYRKSA-N 307.354 -0.463 30 20 DBED C=CCn1c([C@H](O)COC)nnc1N(C)C[C@@H]1COCCO1 1340658085 GWLDOGLKERCZGV-VXGBXAGGSA-N 312.370 -0.005 30 20 DBED CNC(=O)COc1ccc(NC(=O)C(=O)NCCC#N)cc1 1344018717 ORWHGKDWVLXURM-UHFFFAOYSA-N 304.306 -0.220 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N2CC(=O)N[C@H]3CCCC[C@@H]32)CCO1 1348209447 YXRXCVPPIUFILX-WOPDTQHZSA-N 320.349 -0.993 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N=c2cc[nH]c(C)c2)C1=O 1348377764 DSGRGTVVEQZDNC-CYBMUJFWSA-N 316.361 -0.004 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CCO[C@H](C(C)C)C2)nn1 1349044635 BYVWBAUQSCKVTK-ZDUSSCGKSA-N 321.381 -0.036 30 20 DBED C#CC1CCN(C(=O)C(=O)NCCCN(C)CCOC)CC1 1349188016 CBSGYXYWGILQTJ-UHFFFAOYSA-N 309.410 -0.057 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)NCCCn1cncn1 1352402634 SETHFXLBHVJPAO-LBPRGKRZSA-N 307.354 -0.671 30 20 DBED CN(C)C(=O)[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](C#N)C2)C1 1353072472 IPFXBPHIVXKXMT-VXGBXAGGSA-N 306.366 -0.315 30 20 DBED N#Cc1cn(CC(=O)N2CCC[C@@H]2c2ncon2)c(=O)nc1O 1363060913 XVOQUGKTFRMYGR-SECBINFHSA-N 316.277 -0.433 30 20 DBED N#CC1(CNC(=O)c2ccc(S(N)(=O)=O)nc2)CCOCC1 1363898752 AHPXUEFKXALFMG-UHFFFAOYSA-N 324.362 -0.221 30 20 DBED N#CC1(C(=O)NCc2nnc3c(=O)[nH]ccn23)CCOCC1 1364879287 WHLCHPLVUCYBAZ-UHFFFAOYSA-N 302.294 -0.646 30 20 DBED C[C@@H](Cc1cnn(C)c1)NS(=O)(=O)N1CCO[C@H](C#N)C1 1365402674 NAWQNUTVIVIJBP-CMPLNLGQSA-N 313.383 -0.590 30 20 DBED CC(C)(CC#N)CS(=O)(=O)N[C@@H]1CS(=O)(=O)C[C@H]1O 1365453043 VMXPVLHQISANPE-RKDXNWHRSA-N 310.397 -0.996 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CN(C)C(=O)CCc1ccnn1C 1371010509 YNVVABXXRKIYQY-DGCLKSJQSA-N 321.381 -0.552 30 20 DBED C[C@H](CNC(=O)[C@@H]1CCC(=O)N1C)NC(=O)c1cc(C#N)c[nH]1 1373034815 TUDCDLYAJGZDKA-SKDRFNHKSA-N 317.349 -0.258 30 20 DBED C[C@H](CNC(=O)[C@H](C)C#N)NC(=O)c1cnc2c(c1)nnn2C 1397581053 CAZFAEXQYDILQC-RKDXNWHRSA-N 315.337 -0.243 30 20 DBED COCC1(C(=O)NCCN2CCN(C(=O)[C@@H](C)C#N)CC2)CC1 1407441458 FWGPALYHZXWPMM-ZDUSSCGKSA-N 322.409 -0.167 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@@H](O)CNC(=O)c2cc[nH]c2)c1 1410097696 PTZGQJZQMNQVMJ-NSHDSACASA-N 301.306 -0.265 30 20 DBED COC(=O)[C@@H]1CN(C)CCN(C(=O)[C@@H](C)n2cnc(C#N)n2)C1 1412254113 XAQSBYLXVOVIEG-GHMZBOCLSA-N 320.353 -0.726 30 20 DBED C[C@@H](CCN(C)C)NC(=O)NCCn1cc(C#N)c(O)nc1=O 1414545968 MAWAOSABFNDQQH-JTQLQIEISA-N 322.369 -0.540 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1cnc2nccn2c1 1416780411 NENVPQHDUPIBNG-KOLCDFICSA-N 316.321 -0.904 30 20 DBED CCN1CCO[C@@H](C(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H](C)C#N)C2)C1 1429110622 CIBQUWJFALKWBI-IGQOVBAYSA-N 322.409 -0.122 30 20 DBED CO[C@@H](C(=O)N1CC(NC(=O)[C@H](C)C#N)C1)c1cnn(C)c1 1432336999 OAFCZCGMCQNTLC-BXKDBHETSA-N 305.338 -0.406 30 20 DBED CS(=O)(=O)c1cccnc1C(=O)N1CC[C@](O)(CC#N)C1 1434123919 MXPIBYOTIUNOKU-CYBMUJFWSA-N 309.347 -0.024 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H](C)CNC(=O)Cn1ccccc1=O 1442733172 GFNIMZYQXVOBKL-NWDGAFQWSA-N 304.350 -0.029 30 20 DBED CC[C@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)[C@H]1COC(=O)N1 1450887419 PFVSRLCTQLQDLF-MWLCHTKSSA-N 319.321 -0.381 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CN(C)C(=O)c1ccncc1F 1451839442 ZNUDIZIKRWAKJV-UWVGGRQHSA-N 308.313 -0.071 30 20 DBED COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1cnccc1C#N 1462010356 JYPKHOFTISVQKU-IUCAKERBSA-N 304.306 -0.251 30 20 DBED Cc1nc[nH]c1C(=O)N[C@H]1CCCN(CC(=O)NCC#N)C1 1479916619 OTGNBLDWXNOYQL-NSHDSACASA-N 304.354 -0.448 30 20 DBED COc1c(C(=O)NC[C@H](O)CNC(=O)[C@@H](C)C#N)c(C)nn1C 1501605531 NPKIRPBZNDNVRQ-WCBMZHEXSA-N 323.353 -0.896 30 20 DBED Cc1ccc(CNC(=O)Cn2cnc(-c3nn[nH]n3)n2)cc1C#N 1570930936 IOEXWDYHUVQBOK-UHFFFAOYSA-N 323.320 -0.045 30 20 DBED C#CC[C@@H](NS(=O)(=O)c1cnc2c(cnn2C)c1)C(=O)O 1588428431 OCDXJWKVMKNTKO-SNVBAGLBSA-N 308.319 -0.277 30 20 DBED N#C[C@H]1CC[C@@H](NC(=O)C(=O)Nc2ccn(CC(=O)O)n2)C1 1594610977 KGIJAQRAXKBDRM-DTWKUNHWSA-N 305.294 -0.285 30 20 DBED N#CCN(CC(=O)O)S(=O)(=O)c1ccc2[nH]c(=O)cnc2c1 1601072212 NJLXYVROJHBXJT-UHFFFAOYSA-N 322.302 -0.478 30 20 DBED C=C[C@H](NCC(=O)NCC(=O)N(C)Cc1ccccc1)C(=O)O 1602819248 QTDQSKHYBZEJKI-ZDUSSCGKSA-N 319.361 -0.010 30 20 DBED C[C@H](O)c1cn(CC(=O)N2CCC(C#N)(C(=O)O)CC2)nn1 1604389474 UVKXSMLLTNYCCU-VIFPVBQESA-N 307.310 -0.452 30 20 DBED COC[C@@]1(C(=O)O)CN(C(=O)Cc2noc(C)c2C#N)CCO1 1604550630 JXWZEDSHMCTMCU-CQSZACIVSA-N 323.305 -0.274 30 20 DBED CN(C)CC#CCNC(=O)NCc1nc(-c2nn[nH]n2)cs1 1604677614 OMBHZEJXSUQNCT-UHFFFAOYSA-N 320.382 -0.313 30 20 DBED N#Cc1ccc(CC(=O)OCc2cn(CC(=O)O)nn2)cn1 1605602318 ZQQAWINSTQENKN-UHFFFAOYSA-N 301.262 -0.085 30 20 DBED C=CCNC(=O)CNC[C@H]1CCCN1C(=O)Cc1ccn(C)n1 1714334863 WNFLOEWKFVECJC-CQSZACIVSA-N 319.409 -0.155 30 20 DBED C=CCNC(=O)[C@H](C)N[C@H]1C[C@H](NC(=O)c2cnn(C)c2)C1 1752611961 DCPWZMSHRVFMBT-DRZSPHRISA-N 305.382 -0.039 30 20 DBED N#CCNC(=O)CNC[C@H]1CCCN(C(=O)Cc2ccon2)C1 1752793134 ADIPFGYQTZLOSD-GFCCVEGCSA-N 319.365 -0.315 30 20 DBED C#CCNC(=O)[C@H](C)NCCN(C)C(=O)c1cnc2n1CCC2 1753199978 WVFCFHONUJVVCC-LBPRGKRZSA-N 317.393 -0.371 30 20 DBED CN(CCNCC(=O)NCC#N)C(=O)c1cnc2cc[nH]c2c1 1753203375 POBAAVQATLIOEA-UHFFFAOYSA-N 314.349 -0.136 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC(NC(=O)C[C@@H]2CCNC2=O)C1 1753378461 JJCFEBQESFLHGX-MNOVXSKESA-N 308.382 -0.996 30 20 DBED C=CC(C)(C)C(=O)NC1CN(Cc2nc(CC(=O)NC)no2)C1 1753384509 QWKIQBICGXTPSK-UHFFFAOYSA-N 321.381 -0.129 30 20 DBED C#CCNC(=O)CN1CCO[C@@H](CNC(=O)Cc2ccco2)C1 1753657250 ZGOCDPBTTBBACQ-AWEZNQCLSA-N 319.361 -0.612 30 20 DBED C#CCNC(=O)CN[C@@H](CNC(=O)c1cn(CC)cn1)C(C)C 1753844656 RGVOLPSHLJXMSG-ZDUSSCGKSA-N 319.409 -0.004 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC/C=C/CNCc1cn(C)nn1 1754133530 LSABYHACMBBBMH-RGDDUWESSA-N 316.409 -0.325 30 20 DBED C=CCNC(=O)CNC[C@H](NC(=O)c1cn(C)cn1)C1CC1 1754441439 SUWCRYQKYSGTKT-LBPRGKRZSA-N 305.382 -0.180 30 20 DBED C#CCNC(=O)CN1CC[C@@](C)(NC(=O)CCc2ccon2)C1 1754676642 PDJRAXANKFPZFV-MRXNPFEDSA-N 318.377 -0.063 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)C(C)(C)CN1CCOCC1 1754968831 LZBGMOLURMPFBP-HNNXBMFYSA-N 323.437 -0.205 30 20 DBED Cc1nocc1C(=O)N1CCO[C@@H](CNCC(=O)NCC#N)C1 1755007929 GLVVWFNAUBWEJV-NSHDSACASA-N 321.337 -0.947 30 20 DBED C=CCOCCN1CC2(C[C@@H](NC(=O)[C@H]3CCC(=O)N3)CO2)C1 1755059867 VILQJRULMNZWTP-CHWSQXEVSA-N 323.393 -0.573 30 20 DBED N#CCNC(=O)CNCC1(NC(=O)c2cocn2)CCOCC1 1755094145 MRVAUUBRUGEFPR-UHFFFAOYSA-N 321.337 -0.817 30 20 DBED CC#CCNCC1(NC(=O)CN2C(=O)CNC2=O)CCCCC1 1755355679 PPJGYIVIHUNBSH-UHFFFAOYSA-N 320.393 -0.030 30 20 DBED CCNC(=O)CN[C@@H](C)[C@H]1CN(C(=O)C#CC(C)C)CCO1 1755441748 JUVRGZMDNYJCHD-UONOGXRCSA-N 309.410 -0.013 30 20 DBED CC#CCN[C@@H](CO)CNC(=O)Cn1ccc(C(F)F)n1 1755630368 HYMURBQBVDGCTE-SNVBAGLBSA-N 300.309 -0.089 30 20 DBED C#CCNC(=O)CNC[C@@H](O)CN(C)C(=O)c1cnc(C)s1 1755774801 KWJOQYCNEOQBAC-LLVKDONJSA-N 324.406 -0.777 30 20 DBED C=CCOCC(=O)N1CCC[C@@H]1CN(C)C(=O)[C@H]1CCNC1=O 1755909844 FWYGXVFWRNZOLC-OLZOCXBDSA-N 323.393 -0.226 30 20 DBED C#CCCCC(=O)N(C)C[C@H](C)NC(=O)Cn1c(O)nnc1O 1756446150 BJCUFNGVNSXRMY-JTQLQIEISA-N 323.353 -0.544 30 20 DBED C#CCOCCC(=O)N[C@H](C)CN(C)C(=O)c1cnc(O)n1C 1756481022 NTYHDZACAMDOFO-LLVKDONJSA-N 322.365 -0.258 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H](C)CN(C)C(=O)CCn1cnnn1 1756486649 SGBNZPWTOWNZJB-NWDGAFQWSA-N 322.369 -0.935 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@H](O)CN(C)C(=O)c1ccn(C)n1 1756663983 WWSADPMHYILRAF-IAQYHMDHSA-N 324.381 -0.704 30 20 DBED C=CCO[C@H](C)C(=O)NC[C@H](O)CN(C)C(=O)c1[nH]cnc1C 1756668238 FSEZHDPFMPPSER-NEPJUHHUSA-N 324.381 -0.142 30 20 DBED C=CCCO[C@H](C)C(=O)N1CCC2(CN(C(=O)C(N)=O)C2)C1 1756835983 YGPQKDZHJGWZNI-LLVKDONJSA-N 309.366 -0.486 30 20 DBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)COC)CCO2 1831633256 FFAJUMCNMZCRFU-BBRMVZONSA-N 324.377 -0.642 30 20 DBED C#CC(=O)N1CCCC12CN(C(=O)c1cn(C)nc1OC)C2 1845958489 OJGUKACCXFSONX-UHFFFAOYSA-N 302.334 -0.121 30 20 DBED Cc1ccc(C#N)cc1S(=O)(=O)NCC(=O)NCC(=O)O 70430314 IBAZQCHIOLAUMO-UHFFFAOYSA-N 311.319 -0.654 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)c2ccnc(C)n2)CC1 79807916 CBFWNIZYYLWCKN-UHFFFAOYSA-N 303.366 -0.155 30 20 DBED C=CCN(CC(=O)NCCOCC)[C@H]1CCS(=O)(=O)C1 84694397 WSBOCYKRETYAEN-LBPRGKRZSA-N 304.412 -0.186 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CCC[C@@H]1NS(C)(=O)=O 156235291 ZTVPNDQLFSIARQ-RYUDHWBXSA-N 302.396 -0.140 30 20 DBED N#C[C@H]1CN(CCC(=O)NC(=O)NCC(F)(F)F)CCO1 177060192 APYHHVWZUOINHV-QMMMGPOBSA-N 308.260 -0.011 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCCOCC2)C1=O 271860163 LEMRDVLDVIAQLX-SNVBAGLBSA-N 309.322 -0.352 30 20 DBED C=CCNC(=O)CNS(=O)(=O)c1cc(C(=O)OC)co1 272074171 RIJWHUFZWIGQDO-UHFFFAOYSA-N 302.308 -0.353 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@]3(CCNC3)C2)C1=O 274178414 OEQLMIFRHXKYCW-HNNXBMFYSA-N 320.349 -0.825 30 20 DBED C=CCn1c(S(=O)(=O)CC(=O)NCCCC)n[nH]c1=O 283829656 FEJYTQBWACCHDR-UHFFFAOYSA-N 302.356 -0.553 30 20 DBED NC(=O)C1=NO[C@H](CNC(=O)NCC#Cc2ccccc2)C1 284837387 ZHFZKNSJVNKRAV-LBPRGKRZSA-N 300.318 -0.033 30 20 DBED C=CCSCCNC(=O)C(=O)N(C)CCS(C)(=O)=O 286531192 PZGRIYNEGPOZIP-UHFFFAOYSA-N 308.425 -0.475 30 20 DBED CCOC(=O)N1CC[C@H](NC(=O)NCCn2cnc(C#N)n2)C1 286734766 IDEHKJBNSMRQRC-JTQLQIEISA-N 321.341 -0.320 30 20 DBED CC(=O)N1CCN(CCS(=O)(=O)c2ccc(C#N)cn2)CC1 290496711 YBLZIFSCHMSOBK-UHFFFAOYSA-N 322.390 -0.109 30 20 DBED C[C@@H]1C(=O)NCCN1C(=O)C(=O)N(C)Cc1cccc(C#N)c1 298879786 YZKCSNPUMYEIDQ-LLVKDONJSA-N 314.345 -0.136 30 20 DBED C[C@@H](CN1CCCC1=O)/N=C(/O)CN1CCCS1(=O)=O 328880277 KOKXUMUXKFGXRJ-JTQLQIEISA-N 303.384 -0.011 30 20 DBED COCCN(CCC#N)S(=O)(=O)NC[C@H]1CCCN1C 336927317 WMGAXSJMYARVIS-GFCCVEGCSA-N 304.416 -0.223 30 20 DBED CCOC(=O)CCNS(=O)(=O)N(CCC#N)CCOC 337076053 RYKYBVUIRYMCOJ-UHFFFAOYSA-N 307.372 -0.364 30 20 DBED C=C(C)COCCNC(=O)N=c1nc(CS(C)(=O)=O)[nH]o1 342052557 DXKDLTOHMSCPAG-UHFFFAOYSA-N 318.355 -0.250 30 20 DBED CN(CCC#N)S(=O)(=O)NC[C@](C)(O)C(=O)OC(C)(C)C 342497757 AXXYJYGQFGLAAH-LBPRGKRZSA-N 321.399 -0.241 30 20 DBED C=CCOC[C@@H]1NC(=O)N(CCNC(=O)c2cccnc2)C1=O 348470442 VPOFISLLCHINHE-LBPRGKRZSA-N 318.333 -0.066 30 20 DBED CCN(CC#N)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 354218603 OOGPNTTTXSLGKG-UHFFFAOYSA-N 308.319 -0.249 30 20 DBED COCn1nccc1S(=O)(=O)N(CC#N)CC(=O)OC 359950973 WRWUOCRFFNWBJH-UHFFFAOYSA-N 302.312 -0.826 30 20 DBED CNCCNC(=O)C(=O)N(CCOC)Cc1ccc(C#N)cc1 419890208 HMQXDFHGOMNITQ-UHFFFAOYSA-N 318.377 -0.131 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)CCCC(=O)NC)CC1 490934905 LGEUSCVEUFQDGR-UHFFFAOYSA-N 322.409 -0.814 30 20 DBED C=CCCS(=O)(=O)N[C@@H](CN1CCOCC1)C(=O)OC 516906016 NUVAHMLMEHSHGA-NSHDSACASA-N 306.384 -0.644 30 20 DBED CN1CCN([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)CC1=O 579359470 MFKMJXYRBCZHKJ-CYBMUJFWSA-N 312.329 -0.036 30 20 DBED CNS(=O)(=O)N1CCN(C(=O)C2(C#N)CC(C)C2)CC1 582728901 AMSZPMLPBONPKP-UHFFFAOYSA-N 300.384 -0.465 30 20 DBED N#CCNS(=O)(=O)CCCS(=O)(=O)N[C@@]12CCC[C@H]1C2 595962488 BMPNYNZQJBXEKT-WDEREUQCSA-N 321.424 -0.319 30 20 DBED CCN(CCC#N)C(=O)Cn1cc(CN2CCC[C@@H]2CO)nn1 603207754 CJMALHSZMBQJHF-CQSZACIVSA-N 320.397 -0.003 30 20 DBED CC1(C)CN(S(=O)(=O)NC2CCN(CC#N)CC2)CCO1 611468825 ZJPRQAMQZKKTKH-UHFFFAOYSA-N 316.427 -0.080 30 20 DBED CC#CC[C@H](CO)NC(=O)NC1CC(NS(C)(=O)=O)C1 645494299 DXVHXWLWNURAGZ-KPPDAEKUSA-N 303.384 -0.860 30 20 DBED C[C@H]1CN(CCNC(=O)NC2CCN(CC#N)CC2)CCO1 730670599 BFEUKPWBPYHCJJ-ZDUSSCGKSA-N 309.414 -0.006 30 20 DBED N#Cc1ccc(OC[C@@H](O)CN2C[C@H](O)C[C@H]2C(=O)O)cc1 739129373 WKLPVBBNEFTCRN-DYEKYZERSA-N 306.318 -0.182 30 20 DBED COCC/N=C1/NC(=O)[C@H](CC(=O)NCCCN(C)C)S1 743277705 SOGHBDRRRNEZRV-JTQLQIEISA-N 316.427 -0.322 30 20 DBED C#CCOc1ccc(F)cc1NC(=O)C(=O)NCC(=O)N(C)C 743881464 ZZTAUOWFYDGGBC-UHFFFAOYSA-N 321.308 -0.019 30 20 DBED C=C(C)CN(CC)C(=O)COC(=O)[C@@H](C)NS(C)(=O)=O 758476817 LLDWSBGFLUGTDR-SNVBAGLBSA-N 306.384 -0.108 30 20 DBED CCOC(=O)CON=C(C(=O)N(CCO)C1CC1)c1cc[nH]n1 772380148 APVOCWYCHFCMDW-UHFFFAOYSA-N 324.337 -0.323 30 20 DBED C=CCS(=O)(=O)NC(=O)c1ccc(S(=O)(=O)N(C)C)o1 772714962 XZTRYKJQLLCLRG-UHFFFAOYSA-N 322.364 -0.225 30 20 DBED C#CCCCNC(=O)C(=O)N1CCCN(C(=O)C2CC2)CC1 774208252 OZQAHWWBJSOLQW-UHFFFAOYSA-N 305.378 -0.013 30 20 DBED CN1C(=O)CN(NC(=O)CNC(=O)c2ccc(C#N)cc2)C1=O 776246195 QVXYPXAWSRATGQ-UHFFFAOYSA-N 315.289 -0.787 30 20 DBED CC(C)OCCNN=Cc1nc2c(c(O)nc(=O)n2C)n1C 778550376 MVRMFXIRYJERNW-UHFFFAOYSA-N 308.342 -0.279 30 20 DBED C=CCOC[C@@H](NC(=O)CCN1CCOCC1)C(=O)OC 796457200 YOFLCSPYDVBHHP-GFCCVEGCSA-N 300.355 -0.431 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@H](O)c1cnn(C)c1 800062794 VSFRFANTUGUWBH-PWSUYJOCSA-N 315.399 -0.231 30 20 DBED N#CCNC(=O)CNC(=O)NC[C@@H](O)COc1cccc(F)c1 806227400 LUOHTHPTSOVBIN-LLVKDONJSA-N 324.312 -0.496 30 20 DBED C#C[C@@H](NC(=O)CNS(=O)(=O)c1cccnc1)[C@H]1CCCO1 811185438 LPAFYLVQJYOLGX-CHWSQXEVSA-N 323.374 -0.343 30 20 DBED CN(C)C(=O)Cn1cnc(NC(=O)[C@](C)(C#N)CC(=O)O)n1 820530306 AAHHKFGAZVMWEE-LBPRGKRZSA-N 308.298 -0.691 30 20 DBED C#CCN(C)CCCNC(=O)C[C@@]1(C)CCS(=O)(=O)N1 820688682 YTLYPUHYZTYTIM-CYBMUJFWSA-N 301.412 -0.470 30 20 DBED C#CCCN1CCN(S(=O)(=O)c2cnn3c2OCCC3)CC1 820787887 NTYDITGZMUCBPG-UHFFFAOYSA-N 324.406 -0.005 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2[C@H]3COC[C@H]32)CC1 826551219 YZVHDDOWRYLPIC-NHAGDIPZSA-N 305.378 -0.838 30 20 DBED C#C[C@H](NC(=O)N1C[C@H](O)C[C@@H](C(=O)OC)C1)[C@H]1CCCO1 826946421 NRFHJXTZYVPPJC-FVCCEPFGSA-N 310.350 -0.267 30 20 DBED C#CCN(C)CCCNC(=O)N1C[C@H](O)C[C@@H](C(=O)OC)C1 827114555 MGOXMZKFYQYNRB-CHWSQXEVSA-N 311.382 -0.493 30 20 DBED C#Cc1cnc(N2CCN(C(=O)C(=O)NC(C)C)CC2)nc1 827327199 JLKFUMGOWSNQOB-UHFFFAOYSA-N 301.350 -0.369 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(NC(=O)[C@@H](C)OCC#C)CC1 831237375 SUPKAVCMPZPXDP-CHWSQXEVSA-N 306.362 -0.172 30 20 DBED C=CCn1cc(C(=O)NS(=O)(=O)C[C@@H]2CCCOC2)nn1 842792721 LPZNCEYPUCGXLL-SNVBAGLBSA-N 314.367 -0.050 30 20 DBED CS(=O)(=O)Nc1ccccc1C(=O)N[C@@H]1CNC[C@@H]1C#N 843459677 GKDUNTUGNDXWCZ-JOYOIKCWSA-N 308.363 -0.101 30 20 DBED CNC(=O)c1ccc(CS(=O)(=O)O[C@H]2CNOC2)cc1 845933222 VOBDGPWNKWIORD-NSHDSACASA-N 300.336 -0.204 30 20 DBED C#CCOCCOC(=O)[C@H](C)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 853901545 DRWTWFULEPVKOI-QWQWKMKNSA-N 321.329 -0.270 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H]2CC(C)=NO2)C1=O 854794522 JPDLZOYWHICQML-SECBINFHSA-N 308.294 -0.756 30 20 DBED C#CC[C@H](CCOC)NC(=O)N1C[C@H]2C(=O)N(C)C(=O)[C@H]2C1 868818998 MXOABOKZQMZAAD-UTUOFQBUSA-N 307.350 -0.329 30 20 DBED N#Cc1ccc(N2CCN(C(=O)CN3CCNCC3)CC2)cn1 877296977 MUNXNBSQDPKXAM-UHFFFAOYSA-N 314.393 -0.493 30 20 DBED C#CCN1CCC[C@H](NC(=O)N[C@H]2CCC(=O)N(C)C2=O)C1 884429094 XUXYFQLWSJFWPD-RYUDHWBXSA-N 306.366 -0.469 30 20 DBED C=CCOC[C@H](NC(=O)[C@@H]1CSCC(=O)N1)C(=O)OC 935776370 KXACYIHRSNMFGR-IUCAKERBSA-N 302.352 -0.922 30 20 DBED O=C1CCC[C@H](C(=O)N[C@@H]2CCN(C(=O)C#CC3CC3)C2)N1 941062576 MDYIEZLFMJHFAM-CHWSQXEVSA-N 303.362 -0.214 30 20 DBED C=CCN1CC[C@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)[C@H](C)C1 943305591 OWHIEMBCVLKLPZ-MNOVXSKESA-N 322.365 -0.580 30 20 DBED O=C(NC[C@@H]1CN(C(=O)C#CC2CC2)CCO1)[C@@H]1[C@H]2COC[C@H]21 944727184 YFJXBLAEYVPHPZ-NYTXWWLZSA-N 318.373 -0.364 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCN(C(=O)[C@H]3CNC(=O)N3)CC2)C1 945025802 RYGNPGOBCYURSR-WDEREUQCSA-N 319.365 -0.722 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@@H]3[C@@H](CCN3C(=O)C(N)=O)C2)c1 945914943 QGOBAKBSWYBVGS-CMPLNLGQSA-N 315.333 -0.565 30 20 DBED C#CCN1CCOC2(CCN(C(=O)CN3CCOCC3)CC2)C1 949337838 CDAAHGKZJVLWDF-UHFFFAOYSA-N 321.421 -0.355 30 20 DBED C=CCCn1cc(C(=O)NC[C@H]2CCN2C(=O)COC)nn1 950183999 GQCIEUMXEFTZEQ-LLVKDONJSA-N 307.354 -0.169 30 20 DBED CN1CC[C@@H](C(=O)NC[C@@H]2CCN2C(=O)C#CC2CC2)C1=O 951654337 ATEJLXRSSKOXKX-STQMWFEESA-N 303.362 -0.405 30 20 DBED C[C@H](C#N)C(=O)N1CCC(N(C)C(=O)[C@H]2CN(C)CCO2)CC1 953831209 MALJKQGALFKJPE-TZMCWYRMSA-N 322.409 -0.074 30 20 DBED C[C@H]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)CC(N)=O 955604249 LHCLXAAWEJCXLH-ONGXEEELSA-N 317.349 -0.129 30 20 DBED CC#CCN1C[C@@H](O)[C@@H](CNC(=O)c2nnn(CC)c2CC)C1 958403239 BLVICPLLIWGNJQ-GXTWGEPZSA-N 319.409 -0.094 30 20 DBED C=C(C)CN1C[C@@H](O)[C@@H](CNC(=O)c2cncc(C(N)=O)c2)C1 958699465 XYMTVJHBRMOMQB-UONOGXRCSA-N 318.377 -0.221 30 20 DBED C#CCN1C[C@@H]2C(NC(=O)c3ccc(S(C)(=O)=O)o3)[C@H]2C1 961933725 RTLWREBHTMRXJC-UWVGGRQHSA-N 308.359 -0.024 30 20 DBED C=C(C)CCN1C[C@H]2C(NC(=O)CN3CC(=O)NC3=O)[C@@H]2C1 962069460 WMNUXDVDESUNLD-GHMZBOCLSA-N 306.366 -0.449 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)c3ncc[nH]3)C[C@@H]2O)[nH]1 962329003 ONHNQZRUDGXYNM-MNOVXSKESA-N 314.305 -0.775 30 20 DBED O=C(N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O)C1CCC(O)CC1 962582475 DFDDEBTWFUANGF-CVSAEHQPSA-N 320.389 -0.361 30 20 DBED C=CCNC1CC2(C1)CC(NC(=O)Cn1ncn(C)c1=O)C2 964121436 SDHOLKKACBLLPX-UHFFFAOYSA-N 305.382 -0.215 30 20 DBED CC#CCN1CC[C@@H](C)[C@H](NC(=O)c2nnc(O)nc2O)C1 967251796 BOFMVFANUOFMJL-NXEZZACHSA-N 305.338 -0.254 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@]2(CN(Cc3ncnn3C)CCO2)C1 972296486 BSQHXOWERPCFKY-IUODEOHRSA-N 318.381 -0.222 30 20 DBED COc1c[nH]c(C(=O)NCC2[C@H]3CN(CC#N)C[C@H]23)cc1=O 978468832 LFNSXASCWJAAQX-GHMZBOCLSA-N 302.334 -0.185 30 20 DBED C#CCN1C[C@@H]2C(CNC(=O)c3ccc(=O)n(CC)n3)[C@H]2C1 978870425 PFHPFOZRRFQAHL-CHWSQXEVSA-N 300.362 -0.196 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C(N)=O)[C@@H]1CC 984939365 ITTDLCPSOKOLRC-XQHKEYJVSA-N 323.393 -0.051 30 20 DBED C#CCN[C@@H]1C[C@@H](C)N(C(=O)Cn2ncn3nccc3c2=O)C1 989511485 ORPTWHOLZLLHCZ-VXGBXAGGSA-N 314.349 -0.897 30 20 DBED O=C(NC1CN(C(=O)C#CC2CC2)C1)[C@@H]1CCCS(=O)(=O)C1 1000277258 NRBPXNFWZPWLDN-GFCCVEGCSA-N 324.402 -0.448 30 20 DBED Cn1nnnc1CN1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 1010457456 LRFMUAJDNAVINC-SNVBAGLBSA-N 300.326 -0.586 30 20 DBED C#CCN1CCC2(CC1)C[C@H]2NC(=O)Cn1ncn(C)c1=O 1016700463 PVVXPDVUCRBFAM-GFCCVEGCSA-N 303.366 -0.814 30 20 DBED C=CCN1CC[C@@H](N(C)C[C@@H]2CCCN(C(=O)C(N)=O)C2)C1=O 1017199350 HRMIRODUXKMNKV-QWHCGFSZSA-N 322.409 -0.571 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CC2(CCN(C(=O)C(N)=O)C2)C1 1019068270 LMSOGVGZJNCAQR-NEPJUHHUSA-N 321.377 -0.486 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(C1)CN(C(=O)[C@H]1CCCNC1=O)C2 1019111866 HXGJFJRDXFQQNQ-RYUDHWBXSA-N 318.377 -0.267 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCN(C(=O)Cn3cnnc3O)C2)C1 1019363181 NMRRUIQFOAMTOJ-JTQLQIEISA-N 318.337 -0.796 30 20 DBED C=CCCn1cc(C(=O)N[C@H]2C[C@H](N[C@@H](CC)C(N)=O)C2)nn1 1020714587 VDCNSLVUBVDHQP-SRVKXCTJSA-N 320.397 -0.032 30 20 DBED C=CCN[C@H]1C[C@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)C1 1021093691 GJDYMEWRZOHYPY-XYPYZODXSA-N 306.370 -0.597 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CCN(C(=O)Cc3nc[nH]n3)[C@@H]2C1 1022774953 VPIJHIMQWPXAHA-OUAUKWLOSA-N 302.338 -0.434 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2O)nc1 1024925570 IKHDJCXXORZRSJ-HZPDHXFCSA-N 323.352 -0.222 30 20 DBED C#CCN(C)[C@@H]1CCCN(C(=O)Cn2nc(C)n(C)c2=O)C1 1027666141 BDIUZASPZOGBIN-CYBMUJFWSA-N 305.382 -0.554 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2CCCN2[C@H](C)C(N)=O)nn1 1028188066 SCQGWWDKQBQDEJ-GHMZBOCLSA-N 306.370 -0.468 30 20 DBED C=CCN1CC[C@@H](N2CCC[C@H]2CNC(=O)c2nc[nH]n2)C1=O 1028211405 PRTBDIMBKVYJTP-NWDGAFQWSA-N 318.381 -0.214 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCC1CN(CCn2cncn2)C1 1031742810 SHNHONXLGOKLTP-HNNXBMFYSA-N 316.409 -0.576 30 20 DBED C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)Cn1ccc(O)nc1=O 1032503838 TXVBHECDIGOBIK-RYUDHWBXSA-N 302.334 -0.743 30 20 DBED C=CCN1CC[C@H](N2CC[C@H]2CNC(=O)c2nc[nH]n2)C1=O 1038824954 DWMDPIRVKBCDAP-QWRGUYRKSA-N 304.354 -0.604 30 20 DBED C#CCOCCC(=O)N1CC[C@@](O)(CNC(=O)c2ncc[nH]2)C1 1039662095 LUWQERDDXYBHOD-OAHLLOKOSA-N 320.349 -0.857 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)CC2(O)CCC2)C1 1039670450 UEWXSXFELFJJMI-ABAIWWIYSA-N 309.366 -0.469 30 20 DBED C=CC(C)(C)C(=O)NC[C@]1(O)CCN(C(=O)CC(=O)NC)C1 1040488566 OPRZEVQZWRUJKA-OAHLLOKOSA-N 311.382 -0.586 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@@](O)(CNC(=O)c2nc[nH]n2)C1 1040549859 FXDQMZGWCXYALM-CQSZACIVSA-N 307.354 -0.290 30 20 DBED C[C@@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)c2cccc(O)n2)C1 1040763225 NYEMXNXXXIUFTD-ZUZCIYMTSA-N 318.333 -0.360 30 20 DBED Cc1nonc1C(=O)N1CC[C@@](O)(CNC(=O)[C@H](C)C#N)C1 1040769298 KTIONZVNXZUMJV-AMIZOPFISA-N 307.310 -0.769 30 20 DBED COCCC(=O)NCC1(O)CN(C(=O)c2c[nH]c(C#N)c2)C1 1041051251 UADUMQKBQJJQJK-UHFFFAOYSA-N 306.322 -0.774 30 20 DBED C#CCN1CCC(C(=O)N2CC(O)(CNC(=O)CC)C2)CC1 1041057603 YWCPJPZYZPYBHN-UHFFFAOYSA-N 307.394 -0.569 30 20 DBED N#Cc1ccc(C(=O)N2CC(O)(CNC(=O)CC3CC3)C2)[nH]1 1041121656 LRTPJCSHLXFVSS-UHFFFAOYSA-N 302.334 -0.010 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)c3ccsn3)C2)nn1 1041207719 SUTOSEGANCYIME-GHMZBOCLSA-N 316.346 -0.216 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)Cn2cccn2)C1 1041466370 LRQSMDVBVQQBAZ-UHFFFAOYSA-N 304.350 -0.768 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)[C@H](C)n2cccn2)C1 1041614628 ZXHVJKWKHAJVAU-QWRGUYRKSA-N 305.338 -0.707 30 20 DBED CCO[C@@H]1C[C@@H]1C(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1041691992 VLFSQTDWDQMITN-QWHCGFSZSA-N 306.362 -0.486 30 20 DBED C=CCCN1CC[C@H]2CCN(C(=O)CN3CCNC(=O)C3)C[C@@H]21 1042182600 GCHOKHFRJMKWDS-GJZGRUSLSA-N 320.437 -0.083 30 20 DBED Cc1ncoc1C(=O)NCC1(O)CN(C(=O)CSCC#N)C1 1042364115 DDSSAXXQURSCFT-UHFFFAOYSA-N 324.362 -0.457 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(O)CN(C(=O)c2ccon2)C1 1042806183 CCLAEPMKWHFPQG-ZDUSSCGKSA-N 309.322 -0.695 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)c2ccncc2C)C1 1042926410 GEBDOYKQHLFNFM-UHFFFAOYSA-N 319.361 -0.104 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)CC2(O)CCC2)C1 1042937021 WXCMIOWDXZETGR-UHFFFAOYSA-N 308.378 -0.360 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)[C@H](C)SC)C1 1043033219 UIOSUWJKNZBGAC-NSHDSACASA-N 314.407 -0.533 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)C(=O)C(C)(C)C)C1 1043040694 WDPWACSTYDLUQR-NSHDSACASA-N 324.377 -0.671 30 20 DBED N#Cc1cccnc1N1C[C@H](O)[C@H](NC(=O)c2cnsn2)C1 1043863567 QKQPNXVUCCZOPQ-MNOVXSKESA-N 316.346 -0.216 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)[C@@]2(C)CNC(=O)C2)C1 1044479403 YVJZBPWXAYEGFC-OAHLLOKOSA-N 323.393 -0.586 30 20 DBED N#Cc1cccnc1N1C[C@H](O)[C@H](NC(=O)Cc2cnc[nH]2)C1 1044604809 QTFFQRPZYGBZNE-OLZOCXBDSA-N 312.333 -0.415 30 20 DBED COC1(CC(=O)N2CC(O)(CNC(=O)[C@H](C)C#N)C2)CCC1 1045541631 ZOPHCVYFQYUSAY-LLVKDONJSA-N 309.366 -0.205 30 20 DBED Cn1cc(C(=O)NC[C@H]2CC3(CCN(CC#N)CC3)CO2)nn1 1045666371 GLGOAUVVOTVFFQ-GFCCVEGCSA-N 318.381 -0.060 30 20 DBED N#CCN1CCC2(CC1)CO[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)C2 1045678685 ZMFLSCCBZBIWLB-NEPJUHHUSA-N 321.381 -0.821 30 20 DBED C#CCCN1CC[C@](C)(NC(=O)c2cn(C)c(=O)nc2O)C1 1046830020 OFHUVKXCOWYPPH-HNNXBMFYSA-N 304.350 -0.297 30 20 DBED CC#CCN1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CNC(=O)N2)C1 1046969649 CYDCPHHCVOZNGY-WDEREUQCSA-N 314.336 -0.236 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)Cn2ccc(C(F)F)n2)C1 1047405936 CWHFYBAPNFQTPB-RYUDHWBXSA-N 312.320 -0.043 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3ncncc3C2)C1 1047407767 OXNWFTICSILOEF-RCBQFDQVSA-N 314.389 -0.282 30 20 DBED C=CCO[C@@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCOC)C1 1048003783 UEUKWVZWPIHLEZ-AVGNSLFASA-N 314.382 -0.356 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)OC)C1 1048432309 JEBNQWXTGXRGFD-CYDGBPFRSA-N 312.366 -0.910 30 20 DBED C#CCCN1C[C@H]2CN(C(=O)[C@@H]3CCCS3(=O)=O)C[C@H]2C1 1049223278 MPAKVKJSPMCXBU-MJBXVCDLSA-N 310.419 -0.023 30 20 DBED C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H]1NC(=O)NC1=O 1049525311 DSSOKGFSNCZEBC-SDDRHHMPSA-N 304.350 -0.717 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)[C@@H]1CCCCS1(=O)=O 1050953531 GTDNPPALGFAMJX-STQMWFEESA-N 314.407 -0.596 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)c1c[nH]nc1[C@H]1CCOC1 1051046828 VIRJEGOLCIGEAN-QWHCGFSZSA-N 318.377 -0.023 30 20 DBED C#CCCN1CCOC[C@H]1CNC(=O)[C@H]1CN(C(C)=O)CCO1 1051232966 YJHSUKYGGBRXNR-HUUCEWRRSA-N 323.393 -0.926 30 20 DBED COc1nccc(CNC[C@H]2CN(C(=O)[C@@H](C)C#N)CCO2)n1 1051496004 ZRALBWTVNGTFOP-AAEUAGOBSA-N 319.365 -0.038 30 20 DBED N#Cc1c[nH]c(C(=O)N2CCO[C@@H](CNCc3cnon3)C2)c1 1051524101 QBSGVSCTLWUVFS-LBPRGKRZSA-N 316.321 -0.100 30 20 DBED C#CCN1CC2(C1)CN(C(=O)C[C@@H]1CCOC[C@H]1OC)CCO2 1053285432 VTNPDNDVHJVNRX-LSDHHAIUSA-N 322.405 -0.026 30 20 DBED C=CCN1CC2(C1)CN(C(=O)[C@H]1CC[C@@H](C(N)=O)C1)CCO2 1053429895 BYFYONGKVVJSIQ-OLZOCXBDSA-N 307.394 -0.013 30 20 DBED C#CCN1CC2(C1)CN(C(=O)c1cnn(CCOC)c1)CCO2 1053520946 TXDZQTPHZBHANN-UHFFFAOYSA-N 318.377 -0.311 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)[C@H]3COCCN3C)CO2)C1 1053782102 FHZSWVPDVBNNAC-UONOGXRCSA-N 307.394 -0.700 30 20 DBED N#CCN1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CNC(=O)N1 1054051352 ATCJMWWURQUPAX-KBPBESRZSA-N 313.361 -0.266 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@@H]2CN(C(=O)[C@H](O)C(C)C)C[C@@H]2C1 1055317469 RBMJFOPOPQVXBK-APIJFGDWSA-N 322.405 -0.042 30 20 DBED CN1CC[C@H](C(=O)N2CCN(c3nccnc3C#N)CC2)C1 1055818810 ZGEGPYXMMZICDS-LBPRGKRZSA-N 300.366 -0.051 30 20 DBED C=CCCC(=O)N[C@]1(CO)CCCN(C(=O)c2cnn(C)n2)C1 1055824186 PWQCMSWSPYVPQE-OAHLLOKOSA-N 321.381 -0.135 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@](CO)(NC(=O)c2n[nH]cc2F)C1 1056106421 KWRWKJQOJTUVNV-LKFCYVNXSA-N 323.328 -0.208 30 20 DBED N#Cc1nc(=N[C@@H]2CCN(C(=O)CN3CCCC3)C2)cc[nH]1 1056644175 KKCLQUKGDVPLOZ-GFCCVEGCSA-N 300.366 -0.121 30 20 DBED C=CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)[C@@H]1CCOC1 1057147127 CRULDUPRLLLMPV-QWHCGFSZSA-N 314.382 -0.449 30 20 DBED N#Cc1nccc(N2CCCN(C(=O)[C@@H]3CCNC3=O)CC2)n1 1057204627 GYNUQSWYGZWMKB-LLVKDONJSA-N 314.349 -0.477 30 20 DBED C#CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)CCSC 1057583222 KHMWGIYRSKRCAC-LBPRGKRZSA-N 316.423 -0.285 30 20 DBED C=CCn1cc(C(=O)N(CCO)CCNC(=O)C(F)F)nn1 1057626059 MGPFTNWLXNQDLQ-UHFFFAOYSA-N 317.296 -0.720 30 20 DBED C=CC(C)(C)CC(=O)N(CCO)CCNC(=O)c1cn(C)nn1 1057694878 REXWIIBWTNSIQQ-UHFFFAOYSA-N 323.397 -0.032 30 20 DBED C=C[C@@H](C)[C@H](C)C(=O)N(CCO)CCNC(=O)c1ncn(C)n1 1058435280 HPLVZOOAOBGIHP-NEPJUHHUSA-N 323.397 -0.176 30 20 DBED CN1CC[C@H](C(=O)N2CC[C@H](Nc3nccnc3C#N)C2)C1=O 1059031947 OAXRMIZFVAPRFN-QWRGUYRKSA-N 314.349 -0.161 30 20 DBED C=CCOCC(=O)NCC[C@H]1CCN(C(=O)CNC(C)=O)C1 1059050212 MILYGTWKOGMIDE-ZDUSSCGKSA-N 311.382 -0.320 30 20 DBED C#CCCCC(=O)NC[C@@H]1COCCN1C(=O)[C@@H](C)CC(N)=O 1061534341 MBZMMLXOTRPYHC-QWHCGFSZSA-N 323.393 -0.355 30 20 DBED N#Cc1ccc(C(=O)N2CCCC[C@@H]2CNC(=O)CC(N)=O)[nH]1 1062130936 UNDPIMJHZQXIBQ-LLVKDONJSA-N 317.349 -0.127 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)[C@@H]2CN(C)CCO2)CCC1 1062746460 LUBLFUKTGJBVFN-NEPJUHHUSA-N 308.382 -0.368 30 20 DBED N#Cc1nc(=NCCC2CCN(C(=O)CC(N)=O)CC2)cc[nH]1 1063317246 TVYJHEVMTVXBMU-UHFFFAOYSA-N 316.365 -0.314 30 20 DBED N#Cc1nccnc1N1C[C@H]2C[C@H]1[C@H]2NC(=O)Cn1cncn1 1064256958 LYKXUJZQBWNNAY-CDMKHQONSA-N 310.321 -0.667 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CN(C(=O)CCn2cncn2)CCO1 1064862968 MOVGOUQZKTWEOX-VXGBXAGGSA-N 320.353 -0.829 30 20 DBED C=CCCC(=O)N1CCO[C@@H](CNC(=O)[C@@H]2CC(=O)N(C)C2)C1 1064957192 DABDRCIJOJFAFQ-OLZOCXBDSA-N 323.393 -0.226 30 20 DBED CCCC(=O)NCC(=O)NC[C@@H]1CN(C(=O)[C@H](C)C#N)CCO1 1065557202 ODMURGSTZIYDCU-VXGBXAGGSA-N 324.381 -0.594 30 20 DBED CN(C(=O)C(N)=O)[C@H]1CN(c2ncc(C#N)cc2Cl)C[C@@H]1O 1065619229 VJUDWGKCFYUGEC-UWVGGRQHSA-N 323.740 -0.900 30 20 DBED N#Cc1nccnc1N1C[C@@H](O)[C@@H](CNC(=O)c2cc[nH]n2)C1 1067652156 WBQHXEHZYJMPCW-JOYOIKCWSA-N 313.321 -0.702 30 20 DBED N#Cc1cccnc1N1C[C@H](O)[C@H](CNC(=O)c2nc[nH]n2)C1 1067676193 NXAMDWBXWVDRMI-MNOVXSKESA-N 313.321 -0.702 30 20 DBED CO[C@H](C)C(=O)N1CC2(C[C@@H](NC(=O)C#CC3CC3)CO2)C1 1068860742 QLXGECIVVNVDJQ-DGCLKSJQSA-N 306.362 -0.079 30 20 DBED N#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)C2CCC(O)CC2)C1 1069916468 YEDMBMQBOATIAJ-PQAZSJQKSA-N 318.381 -0.306 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2ccc(C#C)cn2)C1 1070078900 WGSBXSWTOVEGNG-CVEARBPZSA-N 320.356 -0.057 30 20 DBED C#CCN[C@@H]1CN(C(=O)C2=COCCO2)C[C@@H]1n1ccnn1 1070132308 WJJRIJGHYLSKRM-NEPJUHHUSA-N 303.322 -0.859 30 20 DBED CC(=O)N[C@H](C)C(=O)NCC1(NC(=O)[C@H](C)C#N)CCOCC1 1070230705 BVJUEYNBBTWQJZ-GHMZBOCLSA-N 324.381 -0.548 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)c4[nH]nnc4C)C[C@@]3(C1)O2 1070833673 NBERVXNOFONGQY-YWPYICTPSA-N 301.350 -0.338 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)C[C@H]2CCOC2)CC1 1070949826 ZNXRLLQQXZUBMT-CQSZACIVSA-N 307.394 -0.303 30 20 DBED C=CCCN1CCNC(=O)CCN(C(=O)c2cnon2)CC1 1071010485 NERFYUDIURPPJA-UHFFFAOYSA-N 307.354 -0.090 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](NC(=O)COCC=C)[C@H](C)C1 1071935723 GGROFYBHEGOVJY-CHWSQXEVSA-N 321.377 -0.708 30 20 DBED C#Cc1cncc(C(=O)N2CCC(C)(NC(=O)C(N)=O)CC2)c1 1073249294 NVBBDRNQYLZDHX-UHFFFAOYSA-N 314.345 -0.341 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CCN(C(=O)Cn2cnnn2)CC1(C)C 1073482577 HULXHYJXTHIYBB-GHMZBOCLSA-N 319.369 -0.424 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)c2cn(CCOC)nn2)C1 1073595596 RMSDVDUPJRGQJN-CYBMUJFWSA-N 321.381 -0.622 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CCN(C(=O)c2cnn(C)c2)CC1 1074463233 WCAKGWSFUICHEY-LLVKDONJSA-N 319.365 -0.337 30 20 DBED C[C@@H](CCNC(=O)CNC(N)=O)NC(=O)c1cc(C#N)c[nH]1 1075542727 ZVJHQUMOYCSGFB-QMMMGPOBSA-N 306.326 -0.821 30 20 DBED C[C@@H](CCNC(=O)c1c[nH]c(C#N)c1)NC(=O)[C@H]1COCCO1 1076215571 MEHBRTAQEIGLFF-GXFFZTMASA-N 320.349 -0.074 30 20 DBED C#CCOCCC(=O)NCC[C@H](C)NC(=O)CS(C)(=O)=O 1076503892 BPDGWEBSMUXDCQ-NSHDSACASA-N 318.395 -0.918 30 20 DBED C[C@@H](CCNC(=O)[C@@H]1CCCN1C(N)=O)NC(=O)[C@H](C)C#N 1077195119 JZYUNAJGGMNOMH-VWYCJHECSA-N 309.370 -0.300 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)c2ccc3nnc(O)n3c2)C1 1077826700 PGGIPBSGFKLRMU-VXGBXAGGSA-N 317.349 -0.214 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCCN(C)C2=O)C1 1077995659 KXKKVPDCOCNHJM-MGPQQGTHSA-N 307.394 -0.571 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)Cc2n[nH]c(C)n2)C[C@H]1O 1081336466 YOKUMBTVQBEERX-VXGBXAGGSA-N 321.381 -0.443 30 20 DBED CC(C)(C)C#CC(=O)N1C[C@H](CNC(=O)c2cnon2)[C@@H](O)C1 1081684309 DSPLYJHBUXWLJW-JQWIXIFHSA-N 320.349 -0.332 30 20 DBED CC#CCN1C[C@@H](NC(=O)c2ccc3nn[nH]c3n2)[C@H](OC)C1 1081771832 LOJQHGBZPWWRQZ-CHWSQXEVSA-N 314.349 -0.195 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cn(CC2CC2)nn1 1083236309 VOEDTIVRBXOWAO-LSDHHAIUSA-N 315.377 -0.154 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)c2ccc3c(c2)nnn3C)C1 1083571320 RFCPIWLPUUJXCX-HIFRSBDPSA-N 313.361 -0.234 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)c2cccc(C(=O)NC)n2)C1 1084008498 JFADNUGLETZEHQ-KGLIPLIRSA-N 316.361 -0.761 30 20 DBED N#CCN1CC[C@@H]2CN(C(=O)[C@H]3CCCS(=O)(=O)C3)[C@@H]2C1 1084696795 IKLLLYMEWXIAFF-FRRDWIJNSA-N 311.407 -0.133 30 20 DBED C=CCCN1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@H]1C 1088579030 JZZSIVZHUIDLTJ-MNOVXSKESA-N 306.370 -0.468 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(c2nccc(C)n2)C[C@H]1O 1090489254 ZEYTZYJMGNXKQJ-JHJVBQTASA-N 304.350 -0.511 30 20 DBED C#CCN1CC[C@H](NC(=O)c2ccc(=O)n(CCC)n2)[C@H](O)C1 1090796087 NIHVBPQJFCTUMC-GXTWGEPZSA-N 318.377 -0.549 30 20 DBED CC(=O)NCC(=O)NCC1CC(Nc2cnc(C#N)cn2)C1 1092186136 KTJHZHVKYDHTEW-UHFFFAOYSA-N 302.338 -0.209 30 20 DBED Cc1nsc(N2C[C@H]3C(NC(=O)CC(N)=O)[C@@H]3C2)c1C#N 1093229862 WQCLKCAIRFFSHC-RKDXNWHRSA-N 305.363 -0.251 30 20 DBED N#Cc1ccc(N2C[C@H]3C(NC(=O)CCNC(N)=O)[C@@H]3C2)cn1 1093267448 JBTSHQDINCRTKH-VXGBXAGGSA-N 314.349 -0.438 30 20 DBED CC(=O)N1CC[C@H](C(=O)NCCN=c2cc[nH]c(C#N)n2)C1 1093781614 QZZCVJIIUDQGCR-NSHDSACASA-N 302.338 -0.833 30 20 DBED CC#CCN1CC(n2cc(CNC(=O)[C@@H]3COCCO3)nn2)C1 1094276001 FQIGUPMQRWBERF-AWEZNQCLSA-N 319.365 -0.810 30 20 DBED N#Cc1ccc(NCCCNC(=O)C[C@@H]2CC(=O)NC2=O)cn1 1094485792 PJTJJCKLGYADHA-SNVBAGLBSA-N 315.333 -0.076 30 20 DBED Cc1cc(=N[C@@H]2CCN(C(=O)[C@H](C)NC(N)=O)C2)c(C#N)c[nH]1 1095028254 CWESURWTEQFFBU-CMPLNLGQSA-N 316.365 -0.247 30 20 DBED C[C@H](NC(N)=O)C(=O)N1CCCN(c2cnc(C#N)cn2)CC1 1095174080 CLEBWZPKQNMLTB-JTQLQIEISA-N 317.353 -0.556 30 20 DBED N#Cc1cncc(N2CCC3(CC2)C[C@@H]3NC(=O)CC(N)=O)n1 1096507978 TUZHWQOXXULHCX-NSHDSACASA-N 314.349 -0.301 30 20 DBED C[C@H](CNC(=O)CN1CCCC1=O)N=c1cc[nH]c(C#N)n1 1097695966 HNHDGRNBWGERPS-SNVBAGLBSA-N 302.338 -0.691 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCCNC1=O)Nc1cnc(C#N)cn1 1098121167 VLIIXQCKESBMRA-ONGXEEELSA-N 302.338 -0.209 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCCCC(=O)N1)N=c1cc[nH]c(C#N)n1 1098273937 IAUBZWHDYXBUGA-WDEREUQCSA-N 316.365 -0.254 30 20 DBED Cc1nc(CC(=O)NCC[C@H](C)N=c2cc[nH]c(C#N)n2)n[nH]1 1099087549 SEEDUDAPIZMAIE-VIFPVBQESA-N 314.353 -0.254 30 20 DBED C[C@H](CCNC(=O)c1ncn(C)n1)N=c1cc[nH]c(C#N)n1 1099114593 BJCSQBSNGVJAIC-SECBINFHSA-N 300.326 -0.481 30 20 DBED C[C@@H](CCNC(=O)C[C@H]1CCNC1=O)N=c1cc[nH]c(C#N)n1 1099559360 WAFCICQZLSDHHI-WDEREUQCSA-N 316.365 -0.397 30 20 DBED O=C(C#CC1CC1)N[C@H]1CCN(CCNC(=O)C2CC2)C[C@@H]1O 1099826245 IJTIHFNCZNOOMO-GJZGRUSLSA-N 319.405 -0.523 30 20 DBED CN(CCNC(=O)Cn1cnnc1O)c1ccc(C#N)cn1 1100029923 GVMLRQFXIASWMS-UHFFFAOYSA-N 301.310 -0.497 30 20 DBED CC(C)C#CC(=O)NCCN(C)c1ncnc2c1nnn2C 1100054929 FJNGBYHQVVLEOC-UHFFFAOYSA-N 301.354 -0.030 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cnn(CCCOC)c2)[C@@H](O)C1 1100069751 MXQWWSDYFMHCCQ-GJZGRUSLSA-N 320.393 -0.282 30 20 DBED CN(CCNC(=O)[C@]1(C)CCNC(=O)C1)c1nccnc1C#N 1100398502 KMEHKYUPIWJFMC-OAHLLOKOSA-N 316.365 -0.183 30 20 DBED CN(CCNC(=O)CN1CCCCC1=O)c1nccnc1C#N 1100401797 KHJUHKZOHZJVLT-UHFFFAOYSA-N 316.365 -0.087 30 20 DBED C[C@H](C#N)C(=O)NCCN(c1nccn2nnnc12)C1CC1 1101319834 IVTJLPLBVZQPAI-SECBINFHSA-N 300.326 -0.236 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)c1cc(=O)n(C)o1 1101563264 WHDNPYUYNZQPCV-UHFFFAOYSA-N 302.294 -0.754 30 20 DBED CN(CCNc1ccc(C#N)nn1)C(=O)[C@]1(C)CCC(=O)N1 1101933162 YOIMWVISKVQWEY-AWEZNQCLSA-N 302.338 -0.113 30 20 DBED CC[C@H](CNC(=O)Cn1cnnn1)N=c1cc[nH]cc1C#N 1102968921 QRZNFIJYIUOVKK-LLVKDONJSA-N 300.326 -0.631 30 20 DBED CC[C@@H](CNC(=O)c1nnn(C)n1)N=c1cc[nH]cc1C#N 1103275951 SZBUJTSPRDMKOI-JTQLQIEISA-N 300.326 -0.481 30 20 DBED Cc1cc(=NC[C@H](C)N(C)C(=O)[C@H](C)NC(N)=O)c(C#N)c[nH]1 1104535721 XVQCJRQYTISWNQ-QWRGUYRKSA-N 318.381 -0.001 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)CCN(C)c1nccn2nnnc12 1105469174 NUWSGGUSJXGZHZ-NSHDSACASA-N 317.353 -0.548 30 20 DBED N#Cc1nc(=NC[C@@H]2CCC[C@H]2NC(=O)CC(N)=O)cc[nH]1 1105651939 OFRAEXWVUZIJNV-VHSXEESVSA-N 302.338 -0.658 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNc1ncnc2c1cnn2C 1105774839 WHKCHLBFKRLEDV-DTWKUNHWSA-N 303.326 -0.588 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@H]1C 1105941628 FMOUKVSZXSIYAU-KFWWJZLASA-N 320.437 -0.486 30 20 DBED N#Cc1nc(=NC[C@H](O)CNC(=O)[C@@H](F)C(F)(F)F)cc[nH]1 1106142026 KCHNASUOYMLCGH-IMTBSYHQSA-N 321.234 -0.440 30 20 DBED C=C(C)CN1CC(n2cc(CNC(=O)C(C)(C)C(N)=O)nn2)C1 1107180295 LSUNNBXVOYBVEO-UHFFFAOYSA-N 320.397 -0.161 30 20 DBED Cc1cc(=NC[C@@H](C)NC(=O)Cn2cnnn2)c(C#N)c[nH]1 1107636012 ZMPRTRYTJXDPAA-SNVBAGLBSA-N 300.326 -0.713 30 20 DBED CC1(C)C[C@@H]1C(=O)NC[C@]1(C)CN(CC(=O)NCC#N)CCO1 1107874150 KVNYGFKJAUHECC-MLGOLLRUSA-N 322.409 -0.121 30 20 DBED CC[C@]1(C(=O)N[C@H](C)CN=c2cc[nH]c(C#N)n2)CCNC1=O 1108200998 GWEXMDBFNINZKD-BMIGLBTASA-N 316.365 -0.397 30 20 DBED C[C@H](CNc1cnc(C#N)cn1)NC(=O)c1cn(C)c(=O)cn1 1108217226 OQXHTFYLENHPRD-SECBINFHSA-N 313.321 -0.328 30 20 DBED C[C@@H](CN(C)c1ccnc(C#N)n1)NC(=O)CCn1ccnn1 1108917741 NDWDRVVOYJUQEB-NSHDSACASA-N 314.353 -0.029 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CN(C)c1nccnc1C#N 1108945054 NFGWRJGSYJBNMC-NSHDSACASA-N 314.349 -0.571 30 20 DBED Cc1cc(C#N)nc(N(C)C[C@H](C)NC(=O)CCNC(N)=O)n1 1108961686 KKGNQSVKIBXFRJ-JTQLQIEISA-N 319.369 -0.344 30 20 DBED C[C@H](CN(C)c1nccnc1C#N)NC(=O)c1cnn(C)n1 1109015937 SNWAGWBAGRBYST-SECBINFHSA-N 300.326 -0.269 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H]1CCOC1 1109025810 ZGRFAWPJJNUIGA-CRWXNKLISA-N 305.378 -0.506 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1n[nH]cc1C 1109241229 DPRBOXPSHMQWGQ-AGIUHOORSA-N 315.377 -0.197 30 20 DBED C[C@@H]1C[C@@H](N=c2cc[nH]cc2C#N)CCN1C(=O)CNC(N)=O 1110506809 CBVRTASBIYILFM-PWSUYJOCSA-N 316.365 -0.165 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C[C@@H]1CCNC1=O 1110657869 BSCHZTLNVRRXOF-YJNKXOJESA-N 319.405 -0.116 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)[C@H]1CN(c2ncccn2)C[C@@H]1O 1111190925 YOVLGHIOCZQIHQ-AVGNSLFASA-N 304.350 -0.477 30 20 DBED COCC[C@H](C)C(=O)N(CCO)CCN=c1cc[nH]c(C#N)n1 1111477584 PLYDLXNFDQAYDU-LBPRGKRZSA-N 321.381 -0.324 30 20 DBED N#Cc1cncc(NCCN(CCO)C(=O)c2cnon2)n1 1111495411 GODZFWDPDPNIPZ-UHFFFAOYSA-N 303.282 -0.722 30 20 DBED C#CCNC[C@]12CCC[C@H]1CN(C(=O)Cn1c(O)nnc1O)C2 1112570363 SNOBRFSPIVDFCZ-NHYWBVRUSA-N 319.365 -0.459 30 20 DBED C#CCC1(C(=O)N2CCN([C@@H]3CCNC3=O)CC2)CCOCC1 1112948036 WRSCVTABVJRFBA-CQSZACIVSA-N 319.405 -0.161 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)[C@H]2CCN(C)C2=O)CC1 1113221663 ZWPWOBUUTAMNEW-STQMWFEESA-N 322.409 -0.700 30 20 DBED CN(CC(C)(C)CN=c1cc[nH]cc1C#N)C(=O)CNC(N)=O 1113397159 IUAOXNZVJSJRTL-UHFFFAOYSA-N 318.381 -0.060 30 20 DBED C[C@H](CNC(=O)[C@H]1CN(C)CCO1)N(C)c1ccc(C#N)nn1 1113534258 WWWUTVVSWKRDJC-DGCLKSJQSA-N 318.381 -0.380 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)Cn2cncn2)CC1 1113612638 JRVOMQZVQXONQM-GFCCVEGCSA-N 306.370 -0.887 30 20 DBED N#CCNC(=O)CN1C[C@H]2C(NC(=O)COCC3CC3)[C@@H]2C1 1113927299 MSFUAWUFHROMQK-VXGBXAGGSA-N 306.366 -0.901 30 20 DBED Cc1nscc1C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1114146801 IRIIXKDJKJYANH-IWIIMEHWSA-N 319.390 -0.249 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)CN3CCC[C@@H]3C)[C@H]2C1 1114831629 DPBBJERHQNAZKU-SZOQZIPDSA-N 318.421 -0.734 30 20 DBED CC[C@@H](C(=O)NC1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]12)N(C)C 1114846507 LGCIIYBINDMIAD-UTUOFQBUSA-N 307.398 -0.987 30 20 DBED Cc1n[nH]c(C)c1C(=O)NC1[C@H]2CN(CC(=O)NCC#N)C[C@H]12 1114978105 OQMVSVNDPZGGAW-QWRGUYRKSA-N 316.365 -0.674 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)Cc3ncc[nH]3)[C@@H]2C1 1115016354 UVHFVGWLVUCYCY-QJPTWQEYSA-N 315.377 -0.864 30 20 DBED C=CCOCCN1C[C@H]2C(NC(=O)[C@H]3CN(CC)CCO3)[C@@H]2C1 1115271691 MQQXRWFEAGOECW-RBSFLKMASA-N 323.437 -0.044 30 20 DBED C[C@H](CN(C)C(=O)Cn1cnnc1O)N=c1cc[nH]c(C#N)n1 1115687864 ZFMUGCOWQICADW-SECBINFHSA-N 316.325 -0.974 30 20 DBED Cn1c(-n2ccc(=O)c([N+](=O)[O-])c2)c(C#N)c(=O)n(C)c1=O 1116177438 IVIRRFNFAKJKAN-UHFFFAOYSA-N 303.234 -0.985 30 20 DBED COC[C@@](C)(C#N)NC(=O)CN(C)[C@H]1CCS(=O)(=O)C1 1116778174 XERWFJLRPUWRAT-CMPLNLGQSA-N 303.384 -0.850 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N1CCC(N(C)C(C)=O)CC1 1117580099 AZBWDQYTIINHTG-LBPRGKRZSA-N 311.382 -0.227 30 20 DBED CN(CCOCCN)C(=O)C(=O)Nc1ccc(OCC#N)cc1 1118861703 AJIXHJKNPYGACY-UHFFFAOYSA-N 320.349 -0.039 30 20 DBED C#CCN(C(=O)C(=O)NCCS(=O)(=O)NC(C)C)C(C)C 1119759059 PSMBZPDDEULGKA-UHFFFAOYSA-N 317.411 -0.699 30 20 DBED C[C@H](CN(C)C(=O)[C@H]1CNC(=O)N1)Nc1nccnc1C#N 1120634654 NXBIDTUAXYKZPI-PSASIEDQSA-N 303.326 -0.712 30 20 DBED C[C@@H](C(=O)NC[C@@H](CO)Nc1cnc(C#N)cn1)n1cccn1 1121213165 NHJQPIOQWCZWGF-JQWIXIFHSA-N 315.337 -0.305 30 20 DBED Cc1nc(C(=O)NC[C@@H](CO)N=c2cc[nH]cc2C#N)co1 1121372094 UYPIHRADZNJDKH-NSHDSACASA-N 301.306 -0.126 30 20 DBED CCn1nncc1C(=O)NC[C@@H](CO)Nc1ncccc1C#N 1121472506 RIBPTWSZVJEISL-NSHDSACASA-N 315.337 -0.233 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)CC2(O)CCC2)nn1 1121528934 RAHPGHVJLLBHRX-LLVKDONJSA-N 305.338 -0.458 30 20 DBED COC[C@H](C)CC(=O)NC[C@H](CO)Nc1ccc(C#N)nn1 1121984997 NUQRDTMNVCRPGJ-ZYHUDNBSSA-N 307.354 -0.090 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H](CO)Nc1ncnc2[nH]cnc12 1122035930 JYBOWJUKSCKOEF-NXEZZACHSA-N 318.337 -0.720 30 20 DBED CN1C(=O)CC[C@H]1C(=O)NC[C@H](CO)Nc1ccc(C#N)cn1 1122334740 WSDUKEQUBHMJQS-NEPJUHHUSA-N 317.349 -0.537 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@H](CO)Nc1cnc(F)cn1 1122770439 RWXDZHXYHIDKSZ-RYUDHWBXSA-N 321.356 -0.398 30 20 DBED N#CCSCC(=O)NCCNCC(=O)NC[C@H]1CCCO1 1123792457 XTCVFJDYUDDTFO-LLVKDONJSA-N 314.411 -0.756 30 20 DBED CN(C[C@H](O)CNc1cncc(C#N)n1)C(=O)c1ncccn1 1124456826 ZYAAXQPBCIRFMQ-LLVKDONJSA-N 313.321 -0.317 30 20 DBED C[C@@H](C#N)C(=O)N(C)C[C@H](O)CN(C)c1ncnc2[nH]cnc12 1124988779 NCWDJTSFRJGVMP-VHSXEESVSA-N 317.353 -0.232 30 20 DBED C=CCOCC(=O)N(C)C[C@H](O)CN(C)c1ccc(C#N)nn1 1124989332 UGCFTUVUGPNYEX-CYBMUJFWSA-N 319.365 -0.194 30 20 DBED CN(C[C@H](O)CN(C)c1nccnc1C#N)C(=O)CC(C)(C)O 1125099823 FOKRNMYSGYLCGI-NSHDSACASA-N 321.381 -0.235 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)c1n[nH]c(C)c1O 1125728169 BRVVEQYAHNYSRL-UHFFFAOYSA-N 322.369 -0.495 30 20 DBED C=CCCN1CCn2ncc(CNC(=O)CNC(=O)NC)c2C1 1128372268 MUFISXZDNXZUSY-UHFFFAOYSA-N 320.397 -0.180 30 20 DBED CC#CCN1CCn2ncc(CNC(=O)CC(=O)N(C)C)c2C1 1128513456 YGSMTDZXPLEMPQ-UHFFFAOYSA-N 317.393 -0.184 30 20 DBED CNC(=O)NCC(=O)NCCNCc1ccc(OC)c(C#N)c1 1128788898 AZIHZUWZUBHAGN-UHFFFAOYSA-N 319.365 -0.298 30 20 DBED C=CCC[C@H](C)N1C[C@H](n2ccnn2)[C@H](NC(=O)CC(N)=O)C1 1128861075 RGTWDKJBYMCOFU-XQQFMLRXSA-N 320.397 -0.150 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)c1cnc2[nH]nnc2c1 1129582437 BNFAATOWVAQSHH-SECBINFHSA-N 317.353 -0.637 30 20 DBED CC(C)N(C)CC(=O)N1C[C@H](n2ccnn2)[C@H](NCC#N)C1 1130137220 NVGOCTZIIXVAOU-OLZOCXBDSA-N 305.386 -0.517 30 20 DBED C#CCCN[C@@H]1CCO[C@H]1C1CCN(C(=O)CC(N)=O)CC1 1131455736 ATHISXJMJVQUTK-CJNGLKHVSA-N 307.394 -0.129 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H](C1CC1)N1CCCC1 1131790237 JHMRZGUFPIWOGI-UKRRQHHQSA-N 320.437 -0.296 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)C(C)(C)C(N)=O)CC[C@H]1C 1132120131 MSQIRIUAFKREBI-NEPJUHHUSA-N 324.425 -0.231 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2cccnn2)CC[C@H]1C 1132368131 JKNYOCOWUNDFFF-OLZOCXBDSA-N 315.377 -0.191 30 20 DBED C#CCCNC[C@H]1CN(C(=O)CN2CC(=O)NC2=O)CC[C@@H]1C 1133173407 DVXVCLSGISPQEK-STQMWFEESA-N 320.393 -0.364 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)c1cnns1)NCC(=O)NCC#N 1133799407 SVDJEYJLCUBUHY-DTWKUNHWSA-N 310.383 -0.336 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)c1cc(C)nn1C 1133831781 XDJHFBNQAYDBMC-VXGBXAGGSA-N 319.409 -0.036 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)NCCNCc1cn(CC)nn1 1134817200 QBJCKQCHLMSBTM-CQSZACIVSA-N 322.413 -0.025 30 20 DBED C=CCn1cc(C(=O)NCCN[C@H]2CCCN(C)C2=O)nn1 1134969049 BYNNBQWDFCXBIR-NSHDSACASA-N 306.370 -0.596 30 20 DBED C=CCCn1cc(C(=O)NCCNCCNC(=O)C2CC2)nn1 1135075183 AVRMEJGSTCTVHK-UHFFFAOYSA-N 320.397 -0.300 30 20 DBED C=C(C)CN[C@@H](C)C[C@@H](C)NC(=O)CNS(=O)(=O)NC 1135081317 KFFAQEKUEZOKML-WDEREUQCSA-N 306.432 -0.511 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)C(C)(C)CNC(C)=O 1135178270 RPKWJZDFXORZFZ-LLVKDONJSA-N 312.414 -0.455 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)CCc1cn[nH]c1 1135652310 YPNDXADCVGAVCF-STQMWFEESA-N 319.409 -0.035 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1ccc(OC)cc1OC 1148939375 ARMKFTZUIPXYHN-UHFFFAOYSA-N 319.361 -0.227 30 20 DBED N#CCNC(=O)CN1CCCO[C@@H](CNC(=O)c2cocn2)C1 1149384754 WUWRKLLYAQAJBM-NSHDSACASA-N 321.337 -0.865 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)c1cccc(O)n1 1152573474 GHDUFPOBMYSLMU-GFCCVEGCSA-N 318.377 -0.023 30 20 DBED CCOc1cc(C(=O)NCCCNCC(=O)NCC#N)[nH]n1 1160711295 NZLQKDFBCYHCQI-UHFFFAOYSA-N 308.342 -0.842 30 20 DBED C=CCNC(=O)CNCCCNC(=O)COCc1cc(C)no1 1160724300 KPFDIKXHXBDDQV-UHFFFAOYSA-N 324.381 -0.102 30 20 DBED CN1CC[C@H](C(=O)NCCC2(CNCC#N)CC2)S1(=O)=O 1167431755 POBGPCFBJCMPAK-LLVKDONJSA-N 314.411 -0.580 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCCN[C@H]1CCC(=O)NC1=O 1168101373 SBHCDNIEYQFVOE-OBJOEFQTSA-N 323.393 -0.131 30 20 DBED C=C(C)CCN[C@H]1CCN(C(=O)CNC(=O)CNC(C)=O)[C@H]1C 1179019053 PIKKYRLJILOZIM-JSGCOSHPSA-N 324.425 -0.216 30 20 DBED C#CCCN[C@H]1CCN(C(=O)[C@@H]2Cc3cncn3C(=O)N2)[C@H]1C 1179214405 WCMYIRDYPGRMKA-UBHSHLNASA-N 315.377 -0.032 30 20 DBED CC#CCNCCCCCCNC(=O)Cn1c(O)nnc1O 1180158261 HJLHPDQZCDFNKO-UHFFFAOYSA-N 309.370 -0.021 30 20 DBED C[C@H]1CN(C(=O)c2nccnc2C(N)=O)CC[C@H]1CNCC#N 1185652033 OKUVHOFNQORQKO-QWRGUYRKSA-N 316.365 -0.213 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)c2occc2C)C1 1191011400 ICFKXAYTHDQCBK-JHJVBQTASA-N 319.361 -0.499 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)Cc2cncn2C)C1 1193464005 YWNSFXWGRLMXHZ-ZDUSSCGKSA-N 319.409 -0.203 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)C2(S(C)(=O)=O)CCCC2)C1 1196899442 YCEDIULXCHPZJW-VXGBXAGGSA-N 316.423 -0.309 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CN(CCn2cncn2)C[C@H]1O 1199318156 NIIOERHLNDVGQC-YNEHKIRRSA-N 309.370 -0.970 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)N2CCCC2=O)C1 1199421766 GGKNLLYNJOTTHT-IIAWOOMASA-N 321.421 -0.182 30 20 DBED CC(C)[C@H](C(=O)N1CCC(NCC(=O)NCC#N)CC1)N(C)C 1202359212 OIYVUUGXGORSLA-OAHLLOKOSA-N 323.441 -0.207 30 20 DBED CC#CCNC1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)CC1 1202954874 VRTGKXWJSJZPRT-UHFFFAOYSA-N 318.377 -0.469 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)c2cnns2)[C@H](C)C1 1206268467 SASZPWYPIZJQKZ-GMTAPVOTSA-N 321.406 -0.274 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)[C@@H]1CCCOC1 1206532230 ZSJWUAFZEZDPER-JHJVBQTASA-N 308.382 -0.511 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)c1cncc(F)c1 1206856916 TUPWRGCCYXGSEY-ZWNOBZJWSA-N 319.340 -0.089 30 20 DBED C=CCCOCC(=O)N1CCC[C@@H](NCc2nc(=O)n(C)[nH]2)C1 1211355818 XIPCDURLMAXZDH-GFCCVEGCSA-N 323.397 -0.218 30 20 DBED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)c1[nH]ccc1C 1212191397 FZZKVMPBCBIZIL-VXGBXAGGSA-N 319.365 -0.608 30 20 DBED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)CC1(C)CC1 1213183045 GYGITESDOVIKEV-VXGBXAGGSA-N 308.382 -0.368 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@H](C)CSC)C1 1219365972 MZUZZGXFTLMXFZ-UTUOFQBUSA-N 315.439 -0.551 30 20 DBED C#CCCCCC(=O)N[C@@H]1CN(Cc2nncn2C)C[C@@H]1O 1219481868 ATABCZHZZPWBOR-OLZOCXBDSA-N 305.382 -0.330 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(CC(=O)NCC(C)(C)C)C[C@@H]1O 1219587666 PUTXFSOYQXUWIS-KGLIPLIRSA-N 323.437 -0.031 30 20 DBED C=CCCCCCN1C[C@H](O)[C@H](NC(=O)Cn2ncnn2)C1 1219637910 MXSWJEPIVHXQCM-OLZOCXBDSA-N 308.386 -0.419 30 20 DBED C[C@H](CC(C)(C)C)C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@@H]1O 1220493079 HNZLQCPFHLYMCN-UPJWGTAASA-N 324.425 -0.140 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3[nH]nnc3C)[C@@H]2C1 1221727720 GLGIBCJLRMBPLQ-VXGBXAGGSA-N 316.365 -0.991 30 20 DBED CCC[C@H](OC)C(=O)N1C[C@H]2CCN(CC(=O)NCC#N)C[C@H]21 1221733163 HNFLVJHYYDTYRZ-MCIONIFRSA-N 322.409 -0.026 30 20 DBED C#CCOCCC(=O)NC1CCN(Cc2nncn2C)CC1 1227332219 KYCQOYYBUILVPY-UHFFFAOYSA-N 305.382 -0.064 30 20 DBED N#CCN1CCS(=O)(=O)[C@@H](CCNC(=O)[C@H]2CC2(F)F)C1 1230460497 QUAZIUGFDMXJER-VHSXEESVSA-N 321.349 -0.230 30 20 DBED Cc1cn(C)nc1C(=O)N(C)C[C@H]1CCN1CC(=O)NCC#N 1234143446 ZNBUHCIKZSOLBL-GFCCVEGCSA-N 318.381 -0.485 30 20 DBED O=C(NCCN/C(O)=C1\N=CC=CC1=O)N[C@H](CCO)C1CC1 1318799635 NHKLLFDYBWRMPD-CLMBFONXSA-N 322.365 -0.027 30 20 DBED CNC(=O)[C@@H](C)NC(=O)C(=O)Nc1ccc(OCC#N)cc1 1319044634 RNWVOTANVVCXSD-SECBINFHSA-N 304.306 -0.222 30 20 DBED C=CCN(CC=C)C(=O)C(=O)NCC1(S(C)(=O)=O)CC1 1323671321 ZGCNSRUQIQYZKA-UHFFFAOYSA-N 300.380 -0.120 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N2[C@H]3CC[C@H]2COC3)CCN1C1CC1 1329451995 FGIJMXXKPXENAZ-MELADBBJSA-N 318.377 -0.425 30 20 DBED C=CCN(C(=O)C(=O)NCc1nc(O)cc(CN)n1)C(C)C 1329862998 OYYJTWMVRPXZGK-UHFFFAOYSA-N 307.354 -0.320 30 20 DBED CN(Cc1cccc(C#N)c1)C(=O)C(=O)NCc1cn(C)nn1 1332743330 NKBJPMZVHARPJI-UHFFFAOYSA-N 312.333 -0.038 30 20 DBED C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)NCCC#N)cc1 1337312141 GGWYMZMKLFJTSR-JTQLQIEISA-N 311.363 -0.011 30 20 DBED N#CC1CCN(C(=O)C(=O)N2CC(N3CCCC3=O)C2)CC1 1338245598 GDLDIKSNZMYSID-UHFFFAOYSA-N 304.350 -0.418 30 20 DBED C=CCn1c([C@H]2CCC(=O)NC2)nnc1N1CCNC(=O)C1 1339744495 MDCYKYHDXJRTLU-JTQLQIEISA-N 304.354 -0.606 30 20 DBED CC(C)CN(CCN(C)C)C(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1349331034 PVAPBDITOYTEQT-INIZCTEOSA-N 324.425 -0.090 30 20 DBED CC1=NS(=O)(=O)N(C)C=C1C(=O)Nc1cnn(CC#N)c1 1362163839 WHKZOMWQYDKBHS-UHFFFAOYSA-N 308.323 -0.120 30 20 DBED CN(CCc1cnccn1)C(=O)Cn1cc(C#N)c(O)nc1=O 1362577131 PSYXBDZOTUAXHT-UHFFFAOYSA-N 314.305 -0.688 30 20 DBED CC(=O)NCC(=O)N1CCC(NC(=O)c2cc(C#N)c[nH]2)CC1 1385420589 AJLPNURGGXOFPA-UHFFFAOYSA-N 317.349 -0.257 30 20 DBED COCCC(=O)N(C)CCN1CCN(C(=O)[C@H](C)C#N)CC1 1388783103 HGQLLOQZWRYUEN-CYBMUJFWSA-N 310.398 -0.215 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)CCc1cncnc1 1389101287 AMRAUCZLPQXDNW-JQWIXIFHSA-N 305.338 -0.838 30 20 DBED CCN(CCNC(=O)[C@H]1COCCO1)C(=O)c1cc(C#N)c[nH]1 1408717663 ALKPZUDKLMJMPE-CYBMUJFWSA-N 320.349 -0.120 30 20 DBED C[C@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)c1cnn(C)n1 1430483140 RDKCJWBTKYZWMH-MRVPVSSYSA-N 301.310 -0.437 30 20 DBED CO[C@H](C(=O)N1CC(NC(=O)[C@H](C)C#N)C1)c1cnn(C)c1 1432337034 OAFCZCGMCQNTLC-SKDRFNHKSA-N 305.338 -0.406 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1cnc2n1CCC2 1433312303 GXMJDXPLQKYMKQ-NXEZZACHSA-N 305.338 -0.804 30 20 DBED Cc1c(C#N)c(=O)n(C[C@H](C)S(C)(=O)=O)c(=O)n1C1CC1 1434454692 GEABNJNMVBPIDY-QMMMGPOBSA-N 311.363 -0.042 30 20 DBED CO[C@H](C(=O)N1CC(CNC(=O)[C@H](C)C#N)C1)c1cnn(C)c1 1450710408 ICXOYMRPGFBIFR-MFKMUULPSA-N 319.365 -0.158 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](C1CC1)N(C)C(=O)c1cn(C)nn1 1450834780 YKWYANUJNVRELW-CABZTGNLSA-N 304.354 -0.058 30 20 DBED CCS(=O)(=O)NCC(=O)N(C)C[C@H](C)NC(=O)[C@@H](C)C#N 1451090089 SAVASNQHTOALPD-UWVGGRQHSA-N 318.399 -0.952 30 20 DBED COCCN(CCNC(=O)[C@@H](C)C#N)C(=O)Cc1cncn1C 1452151070 MKGQVBNHZGDYIX-LBPRGKRZSA-N 321.381 -0.287 30 20 DBED CCN(CCC#N)C(=O)CNC[C@H](C)NC(=O)c1ccnnc1 1498123816 VDXQWLPWYHGMIC-LBPRGKRZSA-N 318.381 -0.053 30 20 DBED Cc1n[nH]c(C)c1CC(=O)NC[C@@H](O)CNC(=O)[C@H](C)C#N 1501520171 XXHWWOYAIPMHME-LDYMZIIASA-N 307.354 -0.678 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2CC(=O)N(C)C2)C1 1514931859 XEXBYMJRCBEYAA-KKOKHZNYSA-N 306.366 -0.365 30 20 DBED CCCN(CCNC(=O)CS(=O)(=O)NC)C(=O)[C@H](C)C#N 1529562438 KISLPQVBJQGKOZ-SNVBAGLBSA-N 318.399 -0.950 30 20 DBED C[C@@H](CCN=c1cc[nH]c(-c2nn[nH]n2)n1)NC(=O)[C@@H](C)C#N 1574671934 CSSKOFDKIYYTAH-IUCAKERBSA-N 315.341 -0.455 30 20 DBED C=CC1(CC(=O)NCCNS(=O)(=O)c2cccnc2)CNC1 1574879977 MWEIUJHZNAKVAN-UHFFFAOYSA-N 324.406 -0.358 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N1CC[C@@]2(CNCCO2)C1 1575045113 DHSFKGBAIAALDY-VXGBXAGGSA-N 302.400 -0.613 30 20 DBED CCOC[C@H]1CN(c2cnc(C#N)c(-c3nn[nH]n3)n2)CCO1 1578375166 WFEMOUZYAMOSTO-SECBINFHSA-N 316.325 -0.230 30 20 DBED N#CC1(C(=O)N[C@H]2CCCCN(CC(=O)O)C2=O)CCOCC1 1594601265 KWPPWLZJUTZDJH-NSHDSACASA-N 323.349 -0.111 30 20 DBED N#C[C@H]1CN(S(=O)(=O)CC2(C(=O)O)CC2)CCN1C1CC1 1601063583 UBUMTAQSKJCXBC-NSHDSACASA-N 313.379 -0.147 30 20 DBED CN(C[C@H](O)CO)C(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1645677080 CRABNVGNFDFLLK-JSGCOSHPSA-N 317.345 -0.277 30 20 DBED C[C@H](NC(=O)NCCn1cnc(C#N)n1)C(=O)N1CCCC1 1645783212 MOROQZJYCBAPJS-JTQLQIEISA-N 305.342 -0.540 30 20 DBED CCN(CCC#N)C(=O)COC(=O)Cn1cc([C@H](C)O)nn1 1649741545 IZFASDXZTIKPFW-JTQLQIEISA-N 309.326 -0.363 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CCCN(CC(=O)NC(N)=O)C1 1664990040 ORPTVWNGPGAPNO-QMTHXVAHSA-N 312.370 -0.911 30 20 DBED N#CCNC(=O)CNC[C@H]1CCCCN1C(=O)c1ncccn1 1714137841 FMZWTYSFLYRBMD-GFCCVEGCSA-N 316.365 -0.299 30 20 DBED C[C@H]1CCN(CC(=O)N2CC[C@@H](CNCC(=O)NCC#N)C2)C1 1752952341 WWMIQNXTUKLNTL-KBPBESRZSA-N 321.425 -0.594 30 20 DBED C=CCOCCNC[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 1752970316 BROCBSHOMCYRQF-LBPRGKRZSA-N 324.381 -0.821 30 20 DBED C#CCN1CCC[C@H]1CNC(=O)[C@@H](CCC)S(N)(=O)=O 1753108843 RFDBXSRGWAUVDU-NWDGAFQWSA-N 301.412 -0.343 30 20 DBED CC[C@@H](C)OCC(=O)NC[C@H]1CCN(CC(=O)NCC#N)C1 1753122316 KHNKFRLBABVYHO-CHWSQXEVSA-N 310.398 -0.121 30 20 DBED C=CCNC(=O)CN1CC[C@H](N(CCC)C(=O)CNC(C)=O)C1 1753313664 UJEUWPCBDITMNH-AWEZNQCLSA-N 324.425 -0.262 30 20 DBED CN(CC(=O)NCC#N)C[C@H]1CCN(C(=O)c2ccn(C)n2)C1 1753359286 GSROYVPORBIFLV-GFCCVEGCSA-N 318.381 -0.546 30 20 DBED C=CCCO[C@@H](C)C(=O)NCC1CN([C@H]2CCC(=O)NC2=O)C1 1753397808 UQOOYAAVCBYSKC-AAEUAGOBSA-N 323.393 -0.179 30 20 DBED COCCC(C)(C)C(=O)NCC1CN(CC(=O)NCC#N)C1 1753413237 VWDWWBLTAIZFBX-UHFFFAOYSA-N 310.398 -0.263 30 20 DBED COCC1(C(=O)N(C)[C@H]2CCN(CC(=O)NCC#N)C2)CCC1 1753439115 DLFIOSKTDHGBAM-ZDUSSCGKSA-N 322.409 -0.024 30 20 DBED CC(=O)N(C)CC(=O)N[C@H]1CC[C@H](NCC(=O)NCC#N)CC1 1753577751 CWJDHUBJUKRQGU-JOCQHMNTSA-N 323.397 -0.879 30 20 DBED Cc1ccc(C(=O)N(C)CCN(C)CC(=O)NCC#N)n1C 1753846269 AHAJVDBPECRQPV-UHFFFAOYSA-N 305.382 -0.023 30 20 DBED CS(=O)(=O)CC(=O)NC[C@@H](O)CNCC#Cc1ccccc1 1753907477 QFWZYBXYJCGIJN-AWEZNQCLSA-N 324.402 -0.851 30 20 DBED CC#CCNC[C@H](O)CNC(=O)c1ccccc1-n1cnnn1 1753935830 MKDQEEFSXLGLAL-LBPRGKRZSA-N 314.349 -0.634 30 20 DBED COCC#CCN1CC[C@](O)(CNC(=O)C2(CN(C)C)CC2)C1 1754754565 NAGVLNKHRUAMMD-KRWDZBQOSA-N 323.437 -0.469 30 20 DBED C#CCNC(=O)CN1CC(O)(CNC(=O)c2cscc2C)C1 1754766473 SDOSNJPMJMSYSQ-UHFFFAOYSA-N 321.402 -0.418 30 20 DBED C=CCN1CC(O)(CNC(=O)c2nnn(C)c2C(F)(F)F)C1 1754776347 VENKPRKIVTZZFG-UHFFFAOYSA-N 319.287 -0.204 30 20 DBED CC#CCNC1CCN(CCNC(=O)[C@@H]2CCC(=O)NC2)CC1 1754849622 ZUCKVDSOKSOCDP-CQSZACIVSA-N 320.437 -0.294 30 20 DBED C#CCNCCN(CCO)C(=O)c1ccnc2[nH]c(C)nc12 1754886723 FVCDACPBOBIEKG-UHFFFAOYSA-N 301.350 -0.076 30 20 DBED C=CCNC(=O)CNC1(CNC(=O)[C@@]23COC[C@@H]2C3)CCC1 1754980876 UTUXYRFVWTXVPB-LRDDRELGSA-N 307.394 -0.046 30 20 DBED C#CCNC(=O)CN1C[C@H]2CC[C@H]1CN2C(=O)c1cccnn1 1755398352 PSHGAUCILNBMIM-QWHCGFSZSA-N 313.361 -0.485 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H](CO)CNC(=O)c1cccs1 1755621407 NOBKNBWWHSLHSV-GHMZBOCLSA-N 309.391 -0.434 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)CN2CCCC2)[C@@H]1C 1755667283 RMSDHSKIOLLJHI-KGLIPLIRSA-N 306.410 -0.589 30 20 DBED C[C@@H](C(=O)N(C)C[C@@H](O)CNCC(=O)NCC#N)n1cccc1 1755777326 KZTWWVTVKMRKLJ-STQMWFEESA-N 321.381 -0.902 30 20 DBED C#CCOCCC(=O)NCC1[C@@H]2CN(C(=O)[C@H](C)OC)C[C@@H]12 1756202294 WXYIZVKOXJXLKY-UBHSHLNASA-N 308.378 -0.118 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@H](CO)NC(=O)c1cc(C)on1 1756515923 RMQUIBHTWDSFPV-IINYFYTJSA-N 311.338 -0.483 30 20 DBED CC(C)(C)C#CC(=O)NC[C@H](CO)NC(=O)[C@@H]1CCCNC1=O 1756519580 LHSFIMAYJQPSOC-VXGBXAGGSA-N 323.393 -0.845 30 20 DBED C=CCC1(C(=O)NC[C@@H](CO)NC(=O)Cn2ncnn2)CCC1 1756547826 FSHGHVGZQXTSBF-NSHDSACASA-N 322.369 -0.987 30 20 DBED C=CCCC(=O)N[C@@H](C)C[C@H](C)NC(=O)Cn1ncn(C)c1=O 1756816339 YGUBAZCJLQJPCI-RYUDHWBXSA-N 323.397 -0.053 30 20 DBED CN(C[C@@H]1CCN1C(=O)c1cnn[nH]1)C(=O)CSCC#N 1757273944 PONLKLOHPHBQLI-VIFPVBQESA-N 308.367 -0.266 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cncs1 1794918646 BKUMOVLPZNCUKF-DDFAGTSDSA-N 305.359 -0.021 30 20 DBED CN(CCN1C(=O)c2ccccc2C1=O)CC(=O)NCC#N 159027743 UAAXGQFZLOJPEG-UHFFFAOYSA-N 300.318 -0.146 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)c2cccnc2)CC1 193921512 KVJDLNXJGYQGEH-ZDUSSCGKSA-N 300.362 -0.023 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@]2(C)CCCNC2)C1=O 272945793 CUMAVOCTUIZMGM-OAHLLOKOSA-N 322.365 -0.531 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@@H](C)Cn1cccn1 282896940 RCEZZEBCVAZWAN-LBPRGKRZSA-N 315.399 -0.032 30 20 DBED COCC[C@@H](NS(=O)(=O)c1cncc(C#N)c1)C(=O)OC 289754373 FOSPEAZPYUQNDU-LLVKDONJSA-N 313.335 -0.190 30 20 DBED CC[C@@H]1CN(C(=O)Cn2cnc(C#N)n2)CCN1CCOC 331128990 FSFVCIRTZIRCSA-GFCCVEGCSA-N 306.370 -0.281 30 20 DBED CCN(CCC#N)S(=O)(=O)N1C[C@H](C)O[C@@H](C(N)=O)C1 336944031 MAKXDWGECBTUAC-VHSXEESVSA-N 304.372 -0.959 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@H]1C[C@@H](O)C1(C)C 337164528 XTMMBBPQBLOVKB-WDEREUQCSA-N 305.400 -0.158 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N(CCO)C1CCOCC1 337770357 OAMFGSZSFKVLTP-NSHDSACASA-N 305.400 -0.062 30 20 DBED C=CCn1c(N)nnc1SCC(=O)N[C@H](C)C(=O)N(C)C 339651875 OCCXLAZORPPHJM-MRVPVSSYSA-N 312.399 -0.269 30 20 DBED CS(=O)(=O)N[C@@H]1CCC[C@H]1CNS(=O)(=O)CCCC#N 340886994 OAPRUJQMZSJZPC-WDEREUQCSA-N 323.440 -0.073 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)C[C@](C)(O)C2CC2)CC1 366846696 WZBRTKVXTICSDV-KRWDZBQOSA-N 321.421 -0.179 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)N[C@H](CN)C2CCCCC2)CCO1 419969002 RBHQGZCIAHHOSZ-QWHCGFSZSA-N 308.382 -0.239 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(c2c(C#N)c(C)nn2C)CC1 490741282 QFJALKLEHXDJRU-CYBMUJFWSA-N 314.393 -0.140 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CCCN2CCC)CC1 491736950 NOZVWGWXILDTAM-OAHLLOKOSA-N 320.437 -0.246 30 20 DBED COCCNC(=O)CN1CCN(C(=O)NC[C@@H](C)C#N)CC1 542875867 RLISHPBFWRBZNH-LBPRGKRZSA-N 311.386 -0.764 30 20 DBED CO[C@@H]1COC[C@H]1n1cc(CNc2ccc(C#N)c(N)n2)nn1 580095470 VNMLKSFZOILXTP-VXGBXAGGSA-N 315.337 0.325 30 20 DBED C=CCn1cc(CNC(=O)C(=O)NCCCNC(C)C)nn1 581126567 SPPAHCIGACJNAY-UHFFFAOYSA-N 308.386 -0.415 30 20 DBED C#CCNC(=O)CN1CCN(c2ccc(C(=O)OC)nn2)CC1 728566957 KSCWRGQYKMIKRA-UHFFFAOYSA-N 317.349 -0.865 30 20 DBED N#Cc1nc(NC(=O)c2ccc(-c3nn[nH]n3)nc2)[nH]c1C#N 737732325 YMVYUWVENCQITK-UHFFFAOYSA-N 306.249 -0.020 30 20 DBED N#Cc1c[nH]c(C(=O)OCC(=O)NCC(=O)N2CCCC2)c1 748223913 VCCJNKGXNGTWIH-UHFFFAOYSA-N 304.306 -0.218 30 20 DBED C#CCNS(=O)(=O)N1CCN(CCOCCCC)CC1 761036786 JNKZGQMNBHJVAY-UHFFFAOYSA-N 303.428 -0.112 30 20 DBED Cn1c(NC[C@@H](O)c2cccnc2)c(C#N)c(=O)n(C)c1=O 771922946 QPXMSMYTZSETNX-LLVKDONJSA-N 301.306 -0.504 30 20 DBED C#C[C@H](N[C@H](C)C(=O)N1CCC[C@H](C(N)=O)C1)[C@@H]1CCCO1 775797098 ALESWDOCZSFQPB-RFGFWPKPSA-N 307.394 -0.131 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)[C@H](OC)c1cnn(C)c1 798774463 PHJXZECUIAOGHI-LLVKDONJSA-N 310.310 -0.337 30 20 DBED C#CCNC(=O)CN1CCN(CC(=O)NCC#C)c2ccccc21 805782852 PXAFGVPJTQNXBO-UHFFFAOYSA-N 324.384 -0.188 30 20 DBED C=CCOC[C@H]1NC(=O)N(CCS(=O)(=O)C(C)C)C1=O 809186323 JYIFDUDAODPUOM-SNVBAGLBSA-N 304.368 -0.067 30 20 DBED Cn1cc(C(=O)NS(=O)(=O)c2cncc(C#N)c2)ccc1=O 813983101 HSVDTSLJHOIBLQ-UHFFFAOYSA-N 318.314 -0.229 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)NCCCc1cnn(C)n1 815053191 DQZFZYLXYQKGST-SNVBAGLBSA-N 300.388 -0.326 30 20 DBED C#CC[C@H](NC(=O)[C@H]1CNC(=O)C[C@H]1C(F)(F)F)C(=O)OC 823519094 KZJHHYGIZKCCCO-YIZRAAEISA-N 320.267 -0.018 30 20 DBED C#CCN(CC#C)C(=O)CNC(=O)c1ccc(-c2nn[nH]n2)cc1 823844778 IQGSHQXKBWRVJA-UHFFFAOYSA-N 322.328 -0.309 30 20 DBED C#C[C@H](NC(=O)N1CC[C@H](N2CCNCC2)C1)[C@@H]1CCCO1 841881309 PZDSCMGHEKQGNV-KKUMJFAQSA-N 306.410 -0.144 30 20 DBED N#Cc1cccnc1NCCNC(=O)C(=O)NCCCC(=O)O 843256187 FUQSOEATHCRFIN-UHFFFAOYSA-N 319.321 -0.538 30 20 DBED C#C[C@@H](NC(=O)CN(C)S(=O)(=O)N(C)C)[C@H]1CCCO1 845957870 YNTLYTPAXSQMDC-GHMZBOCLSA-N 303.384 -0.978 30 20 DBED C#CC[C@H](CO)NC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 854547497 WNJSOXJZXDSWJU-TZMCWYRMSA-N 301.346 -0.070 30 20 DBED C#CC[C@H](CO)NC(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O 919260871 ATCRJGINIRFNHS-ZYHUDNBSSA-N 305.338 -0.791 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)NCC1CC2(C1)OCCO2 932573512 VMIJRNLTNZZKHC-UHFFFAOYSA-N 324.377 -0.246 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)c2ccc3nnnn3c2)C1 938265039 HKVJNTLRPSLWBR-ONGXEEELSA-N 313.321 -0.385 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](NC(=O)c2c[nH]c(=O)cn2)[C@H](C)C1 939600787 QDIKDUIMYQPIBN-IQJOONFLSA-N 303.322 -0.494 30 20 DBED CO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1NC(=O)c1cn(C)cn1 941531811 RQTGLCGSDPXBQY-CKYFFXLPSA-N 305.338 -0.465 30 20 DBED Cc1cnn(C)c1C(=O)NC[C@H]1CN(C(=O)[C@@H](C)C#N)CCO1 944727195 YGYPPFANKANABD-JQWIXIFHSA-N 319.365 -0.155 30 20 DBED O=C(NC[C@@H]1CN(C(=O)C#CC2CC2)CCO1)c1n[nH]cc1F 944761817 LXQORSJYIBQOMG-LLVKDONJSA-N 320.324 -0.081 30 20 DBED C=CCCn1cc(C(=O)N2CCC(NC(=O)C(N)=O)CC2)nn1 946873115 UWDXUPLTPBQMDC-UHFFFAOYSA-N 320.353 -0.940 30 20 DBED CNC(=O)[C@@H](C)N1CCC2(CC1)CN(C(=O)[C@H](C)C#N)CCO2 949053732 HIZJRWVDGFLHRW-CHWSQXEVSA-N 322.409 -0.026 30 20 DBED N#Cc1ccc(C(=O)N2[C@H]3CC[C@H]2CN(C(=O)C(N)=O)CC3)[nH]1 952528264 ZXMXTJODUAEJQE-QWRGUYRKSA-N 315.333 -0.423 30 20 DBED C[C@H]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)CC(N)=O 955604246 LHCLXAAWEJCXLH-GXSJLCMTSA-N 317.349 -0.129 30 20 DBED COCCn1ncc(C(=O)NC[C@H]2CN(CC#N)C[C@H]2O)c1C 958068155 FCIQTCKFGAAOKQ-GXTWGEPZSA-N 321.381 -0.616 30 20 DBED N#Cc1cc(C(=O)N2C[C@H]3C[C@@H](NC(=O)C(N)=O)C[C@H]2C3)c[nH]1 958149537 SIAWOBPPQZEZOQ-MKPLZMMCSA-N 315.333 -0.519 30 20 DBED Cn1nc2c(c1C(=O)NC[C@@H]1CN(CC#N)C[C@H]1O)CCC2 958588805 YLQTWFPCYIRSJL-ZWNOBZJWSA-N 303.366 -0.545 30 20 DBED Cn1nncc1CN1C[C@H]2C(NC(=O)c3c[nH]c(C#N)c3)[C@@H]2C1 958618751 VUMDKVDPUPTBQJ-CHWSQXEVSA-N 311.349 -0.125 30 20 DBED C=C(C)CN1C[C@@H](O)[C@@H](CNC(=O)c2cccc(C(N)=O)n2)C1 958736142 JNYMWUXPABWYQE-SMDDNHRTSA-N 318.377 -0.221 30 20 DBED C#CCN1C[C@H]2C(NC(=O)Cn3nnc(-c4ccco4)n3)[C@@H]2C1 960727788 HVYIDMVUZMJSGN-GHMZBOCLSA-N 312.333 -0.387 30 20 DBED C=CCCN1C[C@H]2[C@H](NC(=O)CN3CC(=O)N(C)C3=O)[C@H]2C1 962288572 OULJMCWQVFSEPI-YABSGUDNSA-N 306.366 -0.497 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 962328215 CZWXISPSRKULHD-AXTRIDKLSA-N 301.306 -0.652 30 20 DBED N#Cc1ccc(C(=O)NC[C@H]2CCCCN2C(=O)C(N)=O)[nH]1 964574797 OOLJQMOTNKVJEW-SNVBAGLBSA-N 303.322 -0.517 30 20 DBED COc1nc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)co1 969137672 DRGOCCQSLSIPNX-MRTMQBJTSA-N 308.294 -0.856 30 20 DBED C[C@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)C1(C(N)=O)CC1)C2 969807210 ZQDMSGQEURXPQC-VWYCJHECSA-N 304.350 -0.387 30 20 DBED C=CCN1C[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C(C)(C)C1 974661526 YJBVANGMZCKYJV-GFCCVEGCSA-N 320.393 -0.440 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)c3cc[n+]([O-])cc3)[C@H]2C1 976110932 PQBJBTVVQVOOJX-XEZLXBQYSA-N 300.318 -0.334 30 20 DBED CN1CC[C@H](C(=O)N(C)C[C@@H]2CCN2C(=O)C#CC2CC2)C1=O 978217418 WPCKGGGKCLVTMB-KBPBESRZSA-N 317.389 -0.063 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 983077667 AXOCFBTVCYWBKO-QWRGUYRKSA-N 308.382 -0.155 30 20 DBED C=C(C)CN(C)C1CCN(C(=O)Cn2cnc(C(N)=O)n2)CC1 985443388 ZAWOBCQYTBLXDA-UHFFFAOYSA-N 320.397 -0.124 30 20 DBED C#CCCN1CCC(NC(=O)c2nccnc2C(N)=O)CC1 1004108606 GMYXMRSUXXYPME-UHFFFAOYSA-N 301.350 -0.207 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C(=O)c2ccnc3[nH]nnc23)CC1 1011755693 XZEKRYDGHDQJGM-VIFPVBQESA-N 313.321 -0.203 30 20 DBED N#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CCc2nnc(O)n2C1 1017675909 LHRSMDMUWNVHMU-SDDRHHMPSA-N 316.365 -0.255 30 20 DBED C=CCN[C@H]1CCN(C(=O)Cn2ncn3nccc3c2=O)C1 1019460191 TVAYIIMDUHSCKT-NSHDSACASA-N 302.338 -0.733 30 20 DBED N#CCN1[C@H]2CC[C@H]1CC(NC(=O)CN1CC(=O)NC1=O)C2 1021412694 HRTZFCYCZUIIRY-QWRGUYRKSA-N 305.338 -0.827 30 20 DBED CN1CC[C@H](N[C@H]2C[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)C1=O 1021977172 OGEDKMMKUSACON-LOWVWBTDSA-N 301.350 -0.033 30 20 DBED C=CCN[C@H]1C[C@@H](NC(=O)c2ccc(=O)n(CCOC)n2)C1 1022396089 UQUDZYXTGIOHBS-TXEJJXNPSA-N 306.366 -0.074 30 20 DBED N#Cc1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccon3)C2)[nH]1 1023125258 TXWOMPCCLQLXIN-VXGBXAGGSA-N 315.289 -0.510 30 20 DBED C=CCN1CC[C@H](N2[C@H]3CC[C@H]2CN(C(=O)CC(N)=O)C3)C1=O 1029245764 GEMIDOKYYGDVGD-AVGNSLFASA-N 320.393 -0.676 30 20 DBED C[C@H](c1nnnn1C)N1CC(NC(=O)c2cc(C#N)c[nH]2)C1 1030196123 KGMOWHBBKXZVJD-MRVPVSSYSA-N 300.326 -0.415 30 20 DBED CN(C(=O)[C@@H]1CN2CC3CC2(CO1)C3)[C@H]1CCN(CC#N)C1 1033278146 MJCDMCKHNDUNOZ-WJEHIRDRSA-N 304.394 -0.094 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C2(n3cnnn3)CCOCC2)C1 1033490164 NWYJEXOONPVSKE-ZDUSSCGKSA-N 320.397 -0.103 30 20 DBED C#CCCN1CCO[C@H](CNC(=O)c2ccn(CCOC)n2)C1 1035442489 MIWCFQXXEBGJQW-CQSZACIVSA-N 320.393 -0.017 30 20 DBED C=CCN[C@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C[C@@H]1CC 1037985834 XOAVHILTRKHUHN-RYUDHWBXSA-N 320.397 -0.220 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@@H]2CCN2[C@H]2CCC(=O)NC2=O)c1 1038140096 NGQCUGOHDHYTJX-JQWIXIFHSA-N 315.333 -0.504 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCN1Cc1nc(O)n[nH]1 1038714037 ISGFHYBCFBCWIX-AXFHLTTASA-N 307.354 -0.208 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC[C@](O)(CNC(=O)C#CC2CC2)C1 1039681366 ZPUAAVRBTZTOQI-SJORKVTESA-N 320.389 -0.194 30 20 DBED C#CCOCCC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H](C)C#N)C1 1039718669 FXSCPJOGBYFBJY-WFASDCNBSA-N 307.350 -0.734 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)C2CCN(C)CC2)C1 1040211664 JDJHHLMDBVFUGQ-LRDDRELGSA-N 322.409 -0.433 30 20 DBED C=CCCC(=O)N1CC[C@@](O)(CNC(=O)c2cnc(O)n2C)C1 1040479704 BUQNBILEROUNQH-OAHLLOKOSA-N 322.365 -0.215 30 20 DBED CC#CCN1CC[C@@]2(CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)C1 1041674814 LIJIRNSCJRXGDI-JJRVBVJISA-N 319.405 -0.033 30 20 DBED C#CCN1CC[C@]2(CCN(C(=O)c3cn(C)c(=O)n3C)C2)C1 1041848956 PYSSZALWWHARCX-INIZCTEOSA-N 302.378 -0.105 30 20 DBED C[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1NC(=O)[C@H]1COC(=O)N1 1041893180 ZNSSDVAXVZOUKD-FBIMIBRVSA-N 316.321 -0.602 30 20 DBED CC#CCN1CC[C@H]2CCN(C(=O)CN3CCOCC3=O)C[C@@H]21 1042098990 WAYJDEOAHJKYAV-GJZGRUSLSA-N 319.405 -0.209 30 20 DBED Cc1nn(C)cc1C(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042958339 KBZKBQABZYUKGO-UHFFFAOYSA-N 316.361 -0.555 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)[C@@H](CC)OC)C1 1043039008 BJFDZNLIOQWBGO-NWDGAFQWSA-N 312.366 -0.861 30 20 DBED C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)C[C@H]1Nc1cnc(C#N)cn1 1043265791 SZLDZCNBDRDJBF-ADEWGFFLSA-N 314.349 -0.114 30 20 DBED C#CCCCCC(=O)N1CC(O)(CNC(=O)c2cnn(C)n2)C1 1043881240 RGAMEFBZWYHZOO-UHFFFAOYSA-N 319.365 -0.688 30 20 DBED N#Cc1nccnc1N1C[C@H](O)[C@H](NC(=O)c2cccnn2)C1 1044133105 SQVGSODODIJSOG-NEPJUHHUSA-N 311.305 -0.882 30 20 DBED C#CCCN1CC[C@@](C)(NC(=O)[C@@H]2CCN(C)S2(=O)=O)C1 1046688737 CYTSMBKMGKUCFL-GXTWGEPZSA-N 313.423 -0.376 30 20 DBED C=CCn1cc(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)N(CC(N)=O)C3)nn1 1047161505 UNDQUUASYCFVLW-SRVKXCTJSA-N 318.381 -0.468 30 20 DBED CN(C(=O)c1cnn2ccncc12)[C@H]1CN(CC#N)C[C@@H]1O 1047409974 XFIHDSIDIMMROT-STQMWFEESA-N 300.322 -0.630 30 20 DBED C=CCn1cc(C(=O)N(C)[C@H]2CN(CCOC)C[C@@H]2O)nn1 1047554235 PWLZJIWYHNCTAB-STQMWFEESA-N 309.370 -0.772 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCN2C(=O)C(C)C)C1 1047631999 UXNFZVHNRNUTHM-ILXRZTDVSA-N 321.421 -0.230 30 20 DBED C=CCCC(=O)N(C)[C@H]1CN(C(=O)[C@@]2(C)CCNC2=O)C[C@@H]1O 1048527861 PFVJRKDVYRSHAR-MKBNYLNASA-N 323.393 -0.491 30 20 DBED C[C@@H](NC(=O)CSCC#N)[C@H]1CCN(C(=O)CC(N)=O)C1 1050358034 ONVWLOFONRVMCW-ZJUUUORDSA-N 312.395 -0.528 30 20 DBED CC#CCN1CCOC[C@H]1CNC(=O)c1ccoc1CC(N)=O 1051083493 HWPGAMZBLMMQNF-GFCCVEGCSA-N 319.361 -0.239 30 20 DBED C#CCCN1CCOC[C@@H]1CNC(=O)[C@@H]1CCCN1C(N)=O 1051272202 YZRSUEFOURQWMP-STQMWFEESA-N 308.382 -0.630 30 20 DBED C=CCCN1CCN([C@@H]2CCN(C(=O)[C@@H]3COC(=O)N3)C2)CC1 1052018049 AZBRWUXRMNKDBL-KGLIPLIRSA-N 322.409 -0.111 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1C 1052662413 TYNUQNHOBYAVPP-QWHCGFSZSA-N 318.381 -0.457 30 20 DBED CCN1CCO[C@@H](C(=O)NC[C@H]2CCC3(CN(CC#N)C3)O2)C1 1053699166 BURBAAJMPRAIAC-ZIAGYGMSSA-N 322.409 -0.420 30 20 DBED CCOc1cc(C(=O)N[C@@H]2COC3(C2)CN(CC#N)C3)[nH]n1 1053839482 GUJLUYFANBBNIT-JTQLQIEISA-N 305.338 -0.095 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)c3coc(C(N)=O)c3)CO2)C1 1053880717 VKKNQRPTWKBCHU-SNVBAGLBSA-N 304.306 -0.525 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)c3noc4c3COCC4)CO2)C1 1054014012 GBFZGOYGPAVENF-NSHDSACASA-N 317.345 -0.046 30 20 DBED Cn1oc(C(=O)N2CCN(c3nccnc3C#N)CC2)cc1=O 1055782817 DVYUNGHNDCGCNJ-UHFFFAOYSA-N 314.305 -0.398 30 20 DBED Cc1ccc(C#N)c(N2C[C@H]3C(NC(=O)Cn4ncnn4)[C@@H]3C2)n1 1056309861 NWRVGBYSNXQMNX-VXGBXAGGSA-N 324.348 -0.501 30 20 DBED Cc1cc(=N[C@@H]2CCN(C(=O)[C@@H]3CCC(=O)N3)C2)c(C#N)c[nH]1 1056674288 CSKICJGUVOPZGA-OLZOCXBDSA-N 313.361 -0.025 30 20 DBED CN(c1cncc(C#N)n1)[C@@H]1CCN(C(=O)Cn2cncn2)C1 1056920288 VGOYGCXUYFSADV-GFCCVEGCSA-N 312.337 -0.323 30 20 DBED C=C[C@](C)(O)CC(=O)NCCN(CCO)C(=O)[C@@H](C)OC 1057112390 JYOVGQODBVESFW-RISCZKNCSA-N 302.371 -0.715 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)C[C@H]1CCC(=O)N1 1057517398 SGLJFMBGSSRXEZ-CYBMUJFWSA-N 323.393 -0.748 30 20 DBED COCC1(C(=O)N(CCO)CCNC(=O)C#CC2CC2)CC1 1058085659 QXBBXDOAMDDGLC-UHFFFAOYSA-N 308.378 -0.237 30 20 DBED Cc1n[nH]cc1C(=O)N(CCO)CCNC(=O)C#CC(C)C 1058267704 HXZSITBIWVJFRE-UHFFFAOYSA-N 306.366 -0.072 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)c1[nH]nnc1C 1058275293 ZEHTUAYPCVHYDA-UHFFFAOYSA-N 307.354 -0.533 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)[C@@H]1CCO[C@H]1C1CC1 1058655018 NTRJTIQNRUMRKV-YUTCNCBUSA-N 323.393 -0.102 30 20 DBED CCC(=O)NCC(=O)N1CCOC[C@H]1CNC(=O)C#CC(C)C 1061565879 ASFHDFYHLTUWRU-CYBMUJFWSA-N 323.393 -0.484 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)C1(CN(C)C)CC1 1061846804 HRGVZXOOPWNWOK-OLZOCXBDSA-N 322.409 -0.169 30 20 DBED Cn1ncc(C(=O)N[C@@H]2[C@H]3C[C@H]2N(c2ccnc(C#N)n2)C3)c1N 1064245130 KLRQSIXCZXPQPW-IYYTYJHQSA-N 324.348 -0.329 30 20 DBED C=C(C)[C@@H](CC(=O)NC1(CNC(=O)C(N)=O)CCC1)OCC 1064293257 XSNKCQLHAZKGTF-LLVKDONJSA-N 311.382 -0.002 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@H]1CN(C(=O)CCOC)CCO1 1064706860 YXRMWAQNAVCMAO-IUODEOHRSA-N 314.382 -0.306 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CN(C(=O)Cn2cccn2)CCO1 1064855318 QNJFCWZSIJHXNK-VXGBXAGGSA-N 305.338 -0.614 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)[C@H]2COCCO2)CCO1 1064881067 NIRSPHKASDMFKQ-QWHCGFSZSA-N 312.366 -0.288 30 20 DBED C#CCCCC(=O)N1CCO[C@H](CNC(=O)[C@H]2CCC(=O)N2)C1 1065092121 FHTGHTWDEJHPDG-CHWSQXEVSA-N 321.377 -0.588 30 20 DBED C[C@@]1(NC(=O)[C@@H]2COCCO2)CCN(c2ccc(C#N)nn2)C1 1065210067 KCWPNVKLOVAWSN-SWLSCSKDSA-N 317.349 -0.151 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@H](CNC(=O)COCC2CC2)C1 1065557266 OOQQXOWAUREJLG-DGCLKSJQSA-N 309.366 -0.084 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CN(C(=O)c2cn(C)c(O)n2)CCO1 1065575148 UWJIBFUQFVBJLH-VHSXEESVSA-N 321.337 -0.757 30 20 DBED N#Cc1cncc(N2CC[C@H]3[C@H]2CCCN3C(=O)CC(N)=O)n1 1066126316 FFDWPMLDIAILRS-NEPJUHHUSA-N 314.349 -0.207 30 20 DBED N#Cc1cncc(N2C[C@@H](O)[C@H](CNC(=O)c3ccc[nH]3)C2)n1 1067657180 XYORPRWMCNGFDK-ZWNOBZJWSA-N 312.333 -0.097 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H]1C[C@H](NC(=O)Cn2nccn2)C1 1068534871 JHAHDUCKHSOHCI-AULYBMBSSA-N 311.349 -0.026 30 20 DBED N#CCN[C@@H]1CN(C(=O)CCc2cn[nH]c2)C[C@@H]1n1ccnn1 1070292580 VQFNSCKDVFGYNF-OLZOCXBDSA-N 314.353 -0.501 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCC[C@@H](NC(=O)c2cnn[nH]2)C1 1070663487 GBGNVJZNOLODIX-QMTHXVAHSA-N 307.354 -0.147 30 20 DBED C#CCN[C@@H]1CN(C(=O)Cc2cnc[nH]2)C[C@H]1c1cncn1C 1070695327 YXTUPVARYFBELM-ZIAGYGMSSA-N 312.377 -0.097 30 20 DBED C[C@@]1(C(=O)N2C[C@H]3C[C@@H]4CN(CC#N)C[C@]3(C2)O4)CNC(=O)C1 1070828114 IRDHJYNTYVEFLY-AVRGHOLYSA-N 318.377 -0.662 30 20 DBED C=C(C)CCC(=O)N[C@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1C 1072162499 ZLHDTFGDUOIPHU-RYUDHWBXSA-N 306.370 -0.008 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(C(=O)Cn2cncn2)C[C@@H]1C 1072772911 MASRCQLBFMDRGE-QWHCGFSZSA-N 319.365 -0.719 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCN(C(=O)c2nc[nH]n2)C[C@H]1C 1073959922 IZICZMRHOKFVAW-VXGBXAGGSA-N 319.365 -0.189 30 20 DBED C=CCN1CCO[C@H]2CCN(C(=O)Cn3cnnc3O)C[C@@H]21 1074212521 QOZPSFVHKUVQHK-RYUDHWBXSA-N 307.354 -0.529 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)c3cn(C)c(=O)cn3)C[C@H]21 1074302359 OXKMSJXLNDFUFS-KGLIPLIRSA-N 316.361 -0.671 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H](C)CCNC(=O)C1CN(C(C)=O)C1 1076285987 MLCHHALIHFRBJQ-NWDGAFQWSA-N 323.393 -0.486 30 20 DBED COc1ccc(OC)c(CC(=O)N[C@@H]2CN(CC#N)C[C@H]2O)c1 1077172809 RFNIZNRDJSHVSS-ZIAGYGMSSA-N 319.361 -0.069 30 20 DBED COc1ccc2ncc(C(=O)N[C@@H]3CN(CC#N)C[C@H]3O)n2n1 1077254012 HYDKASWEXVJZMO-MWLCHTKSSA-N 316.321 -0.964 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2cccc(-n3ccnc3)n2)C1 1077275144 TVFMDVIXRMQLHW-ZIAGYGMSSA-N 311.345 -0.325 30 20 DBED C=CCCC(=O)N(CC)C1CN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 1079473441 MQJZCDQBJXMLNT-NSHDSACASA-N 322.365 -0.390 30 20 DBED CC(C)C#CC(=O)N1C[C@H](CNC(=O)Cn2cccn2)[C@@H](O)C1 1081259636 NZAPPMFQASVHHX-KBPBESRZSA-N 318.377 -0.522 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2ccon2)C1 1081304681 GZTKSCUPVLZGCC-PWSUYJOCSA-N 309.322 -0.574 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2ccon2)C[C@@H]1O 1081343253 AHSOQMWJUIVOIQ-JQWIXIFHSA-N 309.322 -0.574 30 20 DBED C#CCCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)Cn2cncn2)C1 1081788866 QLXINXARPIYPMU-CHWSQXEVSA-N 319.365 -0.983 30 20 DBED C#CCN1C[C@@H](NC(=O)c2ccnc3nc(C)nn23)[C@H](OC)C1 1082324016 YAISAQGYAAMJPY-DGCLKSJQSA-N 314.349 -0.505 30 20 DBED C=CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CC[C@@H](C(N)=O)O1 1083191642 JCJXWXLMKIRZTC-IGQOVBAYSA-N 323.393 -0.493 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)[C@@H](C)N2C(=O)CCC2=O)C1 1083501978 OHDNXIDASYUOGW-UTUOFQBUSA-N 309.366 -0.739 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCCS(=O)(=O)C2)C1 1083829548 TXTBQXDIHYNRMC-UPJWGTAASA-N 316.423 -0.451 30 20 DBED C#CCN1C[C@H]2CC[C@H]1[C@H]1CN(C(=O)Cn3cnnc3O)C[C@H]21 1087351201 OHURVPNOFCRJKH-MQYQWHSLSA-N 315.377 -0.214 30 20 DBED CC1(C)C[C@@H](NC(=O)CN2CCOCC2=O)CCN(CC#N)C1 1089408168 BOAUNRPNFSMSOR-ZDUSSCGKSA-N 322.409 -0.024 30 20 DBED CNC(=O)NCC(=O)N[C@@H](C)C[C@H](C)Nc1cnc(C#N)cn1 1089501564 ZVGFTFCBFFXQIP-UWVGGRQHSA-N 319.369 -0.028 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(c2ccnc(C)n2)C[C@H]1O 1090417395 AGDZAVFSFOCFSK-JMSVASOKSA-N 306.366 -0.222 30 20 DBED CC[C@@H](C(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1O)N(C)C 1090454675 IFERXDGBWQEEEF-FRRDWIJNSA-N 318.381 -0.646 30 20 DBED C[C@H](CC(N)=O)C(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@H]1O 1090513233 WPTTZBWYWYKWCC-YUSALJHKSA-N 317.349 -0.870 30 20 DBED C#CCN1CC[C@@H](NC(=O)C(=O)N2CCC(C)CC2)[C@@H](O)C1 1090626327 ANUWBBWXGZSKFM-KGLIPLIRSA-N 307.394 -0.571 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cccc(C(=O)NC)c2)[C@H](O)C1 1090822939 GBVLUXVZYRAVAB-LSDHHAIUSA-N 315.373 -0.156 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H]1CC[C@H](CNC(=O)CNC(N)=O)C1 1091534829 OVQGJRPMIHENRN-CMPLNLGQSA-N 316.365 -0.260 30 20 DBED CNC(=O)CC(=O)NCC1CC(N=c2cc[nH]c(C#N)n2)C1 1092214233 NARSVGBEKMUXNQ-UHFFFAOYSA-N 302.338 -0.787 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)Cn3ccnc3)c3nccn32)C1 1092414063 PKZXIFBOQJBKBN-CYBMUJFWSA-N 310.361 -0.015 30 20 DBED Cc1cc(C#N)nc(NCCNC(=O)Cn2cnnc2O)n1 1093558807 NEBLIZWFPBFERI-UHFFFAOYSA-N 302.298 -0.818 30 20 DBED C=CCCOCC(=O)NCCN=c1cc[nH]c(C(=O)OC)n1 1093693861 SAZCWWGJZXHWPW-UHFFFAOYSA-N 308.338 -0.194 30 20 DBED C#CCN1CC(n2cc(CNC(=O)c3c[nH]nc3CC)nn2)C1 1094301602 CDMCMYUJSBGLDF-UHFFFAOYSA-N 313.365 -0.017 30 20 DBED N#CCN1CC(N2C[C@@H](NC(=O)C[C@@H]3CCCO3)CC2=O)C1 1094710146 QQAHEDUHOZZYTD-AAEUAGOBSA-N 306.366 -0.520 30 20 DBED CC#CCN1CC(N2C[C@H](NC(=O)C[C@@H]3CCCO3)CC2=O)C1 1094710854 XQARZJXBVYPRMI-HIFRSBDPSA-N 319.405 -0.020 30 20 DBED Cc1cc[nH]c1C(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1 1094729721 JELPWAWUNICMCH-LLVKDONJSA-N 301.350 -0.138 30 20 DBED C#CCN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN1C(=O)CCC1=O)C2 1095052698 XVUKJJZWUFUPDE-XQQFMLRXSA-N 303.362 -0.262 30 20 DBED CCC(=O)N[C@H](C)C(=O)N1CC[C@@H](N=c2cc[nH]c(C#N)n2)C1 1095087403 RXQUGBPWCITZHV-GHMZBOCLSA-N 316.365 -0.302 30 20 DBED CN(CCCNC(=O)CNC(=O)C1CC1)c1cncc(C#N)n1 1095475437 HUCKGZMWJZKMFM-UHFFFAOYSA-N 316.365 -0.183 30 20 DBED Cc1cc(C#N)nc(N(C)CCCNC(=O)[C@H]2CNC(=O)N2)n1 1095715491 PVSTZJKVHWSEIJ-LLVKDONJSA-N 317.353 -0.719 30 20 DBED N#Cc1nccc(N2CC[C@H](NC(=O)C(=O)NCC(F)F)C2)n1 1096446703 SAMYLCXBCIQAPP-QMMMGPOBSA-N 324.291 -0.576 30 20 DBED CCC(=O)N[C@@H](C)C(=O)N[C@@H]1CCN(c2cncc(C#N)n2)C1 1096496520 ZDBNAKPJPXLTSW-WDEREUQCSA-N 316.365 -0.042 30 20 DBED N#Cc1ccc(N[C@@H](CNC(=O)CCNC(N)=O)C2CC2)nn1 1096669745 WPNBPCBGEKZUJS-NSHDSACASA-N 317.353 -0.287 30 20 DBED C[C@H](CNC(=O)CN1CCCC1=O)Nc1cncc(C#N)n1 1097697598 XXDMPTHBFJMMKL-SNVBAGLBSA-N 302.338 -0.113 30 20 DBED C[C@@H](CNC(=O)CN1CCOCC1)N=c1cc[nH]c(C#N)n1 1097784341 UBVPPLFXLUAFKM-NSHDSACASA-N 304.354 -0.981 30 20 DBED CCn1cc(C(=O)NC[C@@H](C)N=c2cc[nH]c(C#N)n2)nn1 1098016486 WAXIBDZQYSJWIP-SECBINFHSA-N 300.326 -0.388 30 20 DBED C#CCCN(CCO)C1CCN(C(=O)[C@]2(C)CCC(=O)N2)CC1 1098473150 UFSZRQXXQZZJPG-KRWDZBQOSA-N 321.421 -0.036 30 20 DBED C=CCNCc1cn([C@H]2CCN(C(=O)[C@@H]3CCC(=O)N3)C2)nn1 1098769311 ZVHCFLIFGCISQB-STQMWFEESA-N 318.381 -0.394 30 20 DBED CC1(C)CC[C@@H](CNC(=O)CN2CCNC(=O)C2)N(CC#N)C1 1099171984 XIMOTOKFJJEISQ-ZDUSSCGKSA-N 321.425 -0.451 30 20 DBED Cc1cc(C#N)nc(N[C@@H](C)CCNC(=O)[C@@H]2CNC(=O)N2)n1 1099682940 RUCKZVPEUKIJEP-KWQFWETISA-N 317.353 -0.355 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)/C(C)=C/CC)[C@H](O)C1 1099721120 OKHRHQPUVNXFNQ-GNZFURHMSA-N 307.394 -0.357 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)C2=COCCC2)[C@@H](O)C1 1099728398 WPOXCRTXFXEODD-KGLIPLIRSA-N 323.393 -0.466 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C)c1cncc(C(=O)N(C)C)n1 1100004698 BHNZNPQZHYGJFO-JTQLQIEISA-N 304.354 -0.110 30 20 DBED CNC(=O)CCCC(=O)NCCN(C)c1cncc(C#N)n1 1100030098 MOCKTBHXEGETSV-UHFFFAOYSA-N 304.354 -0.183 30 20 DBED N#CCN1CC[C@@H](NC(=O)CCC(=O)NC2CCCC2)[C@@H](O)C1 1100046154 HHIFRFMYSVUERQ-KGLIPLIRSA-N 322.409 -0.100 30 20 DBED CN(CCNC(=O)c1ccc2nnnn2c1)c1ccnc(C#N)n1 1100229950 JUZLYTZFGOOPML-UHFFFAOYSA-N 323.320 -0.348 30 20 DBED CS(=O)(=O)CC(=O)NC[C@H]1CCCN1c1nccnc1C#N 1100801641 ULHMORYKNMLOLS-SNVBAGLBSA-N 323.378 -0.522 30 20 DBED C=C(C)CN1CC2(C[C@H](NC(=O)CNC(N)=O)c3nccn32)C1 1101607860 ZVXXSDGOVNPKFY-NSHDSACASA-N 318.381 -0.301 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)[C@H]1CCCC(=O)N1C 1101720671 KFJXLOYMUUIKJQ-LLVKDONJSA-N 316.365 -0.349 30 20 DBED COCCO[C@H](C)C(=O)N(C)CCN=c1cc[nH]c(C#N)n1 1101766098 QGPOZAWJOABHBE-LLVKDONJSA-N 307.354 -0.308 30 20 DBED C[C@@H]1CN(Cc2nnn(C)n2)C[C@H]1CCNC(=O)[C@H](C)C#N 1102783463 ATWRXBMBTCYYHE-IJLUTSLNSA-N 305.386 -0.056 30 20 DBED CCN(C(=O)CC(N)=O)[C@H]1CCN(c2ccc(C#N)nn2)C1 1102784982 RIJYBZQRYBJYOM-NSHDSACASA-N 302.338 -0.349 30 20 DBED CC[C@@H](CNC(=O)[C@H](C)NC(N)=O)N=c1cc[nH]cc1C#N 1103045760 FNVICDZSNPWKQO-ONGXEEELSA-N 304.354 -0.261 30 20 DBED CC[C@H](CNC(=O)CCn1ccnn1)N=c1cc[nH]c(C#N)n1 1103049270 OIQVGTCWPBFJQT-LLVKDONJSA-N 314.353 -0.241 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)[C@H](C)CC(N)=O 1104752593 QITDELBCCVMGOP-ZJUUUORDSA-N 304.354 -0.460 30 20 DBED C[C@@H](C(=O)NC[C@H](O)CNc1cnc(C#N)cn1)n1cccn1 1105768089 VRWBZPJUJLCGQY-CMPLNLGQSA-N 315.337 -0.305 30 20 DBED Cc1nccc(C(=O)NC[C@@H](O)CNc2cnc(C#N)cn2)n1 1105861931 NFDOQOYPSQHMCF-NSHDSACASA-N 313.321 -0.351 30 20 DBED Cc1nc[nH]c1CC(=O)NC[C@H](O)CNc1ccc(C#N)nn1 1105920831 PMNIABUCXDGSPA-LLVKDONJSA-N 315.337 -0.489 30 20 DBED CCc1n[nH]cc1C(=O)NC[C@H](O)CNc1cnc(C#N)cn1 1106163126 LSDSDCTVUPBPRV-SNVBAGLBSA-N 315.337 -0.163 30 20 DBED CCC(=O)NCC(=O)NC/C=C/CNc1nccnc1C#N 1107079034 QDPRCFWXKCYMTG-ONEGZZNKSA-N 302.338 -0.041 30 20 DBED C=CCOCC(=O)NC[C@]1(C)CN(CC(=O)N(C)C)CCO1 1107811852 UEZRDJJYJHTSKR-OAHLLOKOSA-N 313.398 -0.516 30 20 DBED C=CCN1CCO[C@@](C)(CNC(=O)[C@@H](C)N2C(=O)CCC2=O)C1 1107982509 BEYYMMQOFLPKIH-WBMJQRKESA-N 323.393 -0.083 30 20 DBED C#CCNC(=O)CN1CCO[C@@](C)(CNC(=O)[C@@H]2C[C@H]2CC)C1 1108227533 CDPGLNFVVVWPBE-CPUCHLNUSA-N 321.421 -0.011 30 20 DBED C[C@]1(CNC(=O)[C@H]2CC23CC3)CN(CC(=O)NCC#N)CCO1 1108240850 QGWXGKUPTLCPHV-DOMZBBRYSA-N 320.393 -0.367 30 20 DBED C[C@@]1(CNC(=O)c2cccnc2C(N)=O)CN(CC#N)CCO1 1108413245 VLSVBLHRNVCMNE-OAHLLOKOSA-N 317.349 -0.475 30 20 DBED CCN1CCN(C(=O)CSCC#N)[C@@H]2CS(=O)(=O)C[C@@H]21 1108458140 MSNYGYPTCFBMKV-WDEREUQCSA-N 317.436 -0.427 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)[C@H](C)CC(N)=O)CC2=O)C1 1108559509 BWVKZEJPFREXNZ-MNOVXSKESA-N 308.382 -0.915 30 20 DBED C[C@H](CN(C)c1ccc(C#N)nn1)NC(=O)c1nccnc1N 1108886035 RKPJNBCXXRDEPQ-SECBINFHSA-N 312.337 -0.025 30 20 DBED N#Cc1nccc(NC2(CNC(=O)C[C@H]3CCNC3=O)CC2)n1 1110250638 PNLHLKMBPSBSEI-SNVBAGLBSA-N 314.349 -0.065 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@]1(O)CCN(c2nc(C)ns2)C1 1111098885 XIVIFKQASYVRKD-QMTHXVAHSA-N 324.406 -0.058 30 20 DBED N#Cc1nc(=NCCN(CCO)C(=O)[C@@H]2CCCOC2)cc[nH]1 1111437275 SFLCJECYEGSJDF-GFCCVEGCSA-N 319.365 -0.570 30 20 DBED COCC#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CNC(=O)N2)C1 1111854832 UXWJPSDUWORMFQ-ZENOOKHLSA-N 320.393 -0.712 30 20 DBED CNC(=O)CC(=O)N1CCO[C@H](CNc2ccc(C#N)cn2)C1 1111940914 YAGFLIXZQHYBKU-GFCCVEGCSA-N 317.349 -0.271 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)c2cnccn2)CC1 1112598687 XRRSTOXRHVMXCB-GFCCVEGCSA-N 303.366 -0.075 30 20 DBED C[C@H](CNC(=O)CCCC(N)=O)N(C)c1ccnc(C#N)n1 1113644792 JNJPHWGQROJGOI-SNVBAGLBSA-N 304.354 -0.055 30 20 DBED C[C@H](CNC(=O)[C@@]1(C)CNC(=O)C1)N(C)c1ccc(C#N)nn1 1113784606 YTJYNOAFNJFGNB-MEBBXXQBSA-N 316.365 -0.185 30 20 DBED C=CCNC(=O)NC(=O)CN1C[C@H]2[C@H](NC(=O)C(C)C)[C@H]2C1 1113863973 DUGJQLFBRNEGLT-PJXYFTJBSA-N 308.382 -0.299 30 20 DBED C=CCOCCN1C[C@@H]2C(NC(=O)CNC(=O)C3CC3)[C@H]2C1 1113940617 VYNDTBBTQOJZFI-STQMWFEESA-N 307.394 -0.238 30 20 DBED CC(=O)NCCOCCN1C[C@H]2C(NC(=O)[C@@H](C)C#N)[C@@H]2C1 1114066245 ADRTVPBTKMDDNI-CYZMBNFOSA-N 308.382 -0.655 30 20 DBED CC(C)(C)C(=O)C(=O)NC1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]12 1114077007 LCWWSUXWURQXBI-NXEZZACHSA-N 306.366 -0.712 30 20 DBED C#CCOCCC(=O)N[C@H]1[C@@H]2CN(CC(=O)NCCCC)C[C@@H]21 1114266772 WFXWQDDICHMUII-HALDLXJZSA-N 321.421 -0.011 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H]1[C@@H]2CN(CC(=O)N(C)CC)C[C@@H]21 1114271667 ZGPAZVBMRXYVSE-CXTNEJHOSA-N 307.394 -0.451 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)c3c(C)cnn3C)[C@@H]2C1 1114707695 OUDIGDLIYXEULS-VXGBXAGGSA-N 317.393 -0.309 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)[C@@H]3C[C@@H]4C[C@@H]4C3)[C@H]2C1 1114721395 OLODGKJDEOFZTI-ZSLBOAEBSA-N 301.390 -0.172 30 20 DBED C=CCOCCN1C[C@H]2C(NC(=O)C3(C(=O)NC)CC3)[C@@H]2C1 1114972909 RWGYZWHCPFBBRM-VXGBXAGGSA-N 307.394 -0.238 30 20 DBED N#CCNC(=O)CN1C[C@H]2C(NC(=O)CCn3cccc3)[C@@H]2C1 1115015237 APPYCFUZSVZRDY-CHWSQXEVSA-N 315.377 -0.436 30 20 DBED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccnn2C)CC1 1116941975 BSGJINFXMPXMOD-UHFFFAOYSA-N 317.349 -0.653 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)NC[C@@H]1CCCCO1 1117087431 AOHCKVQLEASUOC-NSHDSACASA-N 318.395 -0.611 30 20 DBED C#CCOCCNC(=O)C(=O)N1C[C@@H](C)O[C@]2(CCOC2)C1 1117437291 XUJJAGAVMHECOE-IUODEOHRSA-N 310.350 -0.841 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)NCC[S@](=O)C(C)(C)C 1117529212 TZIMDVKSJQYTLF-FVINQWEUSA-N 304.412 -0.033 30 20 DBED C#CCSCCNC(=O)C(=O)N[C@@H]1CC[C@H]2CNC[C@@H]2C1 1117978616 MPWMHPZJOZYELR-RWMBFGLXSA-N 309.435 -0.027 30 20 DBED C=C(C)COCCNC(=O)C(=O)N1CCC(O)(CO)CC1 1118705715 XCTUSVWKZKFDHN-UHFFFAOYSA-N 300.355 -0.959 30 20 DBED C#C[C@@H](NC(=O)C(=O)N1[C@H]2CC[C@H]1CC(=O)NC2)[C@H]1CCCO1 1119140261 CDXDDAITDNYCHT-WUHRBBMRSA-N 319.361 -0.837 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2C[C@H](N)C2)C1=O 1119369986 IARDYMMSOMLRRR-SRVKXCTJSA-N 308.382 -0.915 30 20 DBED COCC#CCNC1CC2(C1)CC(NC(=O)[C@H](C)NC(N)=O)C2 1120997035 RAGDYYIVSOVUIV-KWDKGFIESA-N 322.409 -0.290 30 20 DBED Cc1nn(C)cc1C(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1 1121213102 MFSVMBLJAASIOP-JTQLQIEISA-N 315.337 -0.985 30 20 DBED C=CCOCC(=O)NC[C@H](CO)Nc1ncnc2c1cnn2C 1121324881 RQYRCTZPPFFNBU-SNVBAGLBSA-N 320.353 -0.545 30 20 DBED C=CCOCc1nnc(N2CCN(CC(=O)NCC)CC2)n1C 1121448848 LHPFHMFFPMUIIV-UHFFFAOYSA-N 322.413 -0.224 30 20 DBED CCOCC(=O)NCCNCC(=O)NCC#Cc1ccccc1 1122973484 OIZANNCJNXPRTH-UHFFFAOYSA-N 317.389 -0.103 30 20 DBED C[C@H](C#N)C(=O)N(C)C[C@H](O)CNc1nc[nH]c2ncnc1-2 1124190977 JGDKNWPYZCYKLB-RKDXNWHRSA-N 303.326 -0.305 30 20 DBED Cc1nc(NC[C@@H](O)CN(C)C(=O)CC(N)=O)ccc1C#N 1124201650 WFIVNPPFFNXGCZ-LLVKDONJSA-N 305.338 -0.632 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]cc1C#N)C(=O)c1cncnc1 1124329846 UGEMHOFIMSZLQH-ZDUSSCGKSA-N 312.333 -0.290 30 20 DBED C[C@H](C#N)C(=O)NCCNCC(=O)N1CCOC[C@@H]1C1CC1 1124895335 GHCGXCQNFFJKDL-DGCLKSJQSA-N 308.382 -0.511 30 20 DBED CNC(=O)CC(=O)NCCNCc1ccc(OC)c(C#N)c1 1126161426 LNQCKVJKBKCJSQ-UHFFFAOYSA-N 304.350 -0.091 30 20 DBED COCCN(CCNC(=O)CCN(C)C)c1cncc(C#N)n1 1126498965 SMMSKRMRIJQRFV-UHFFFAOYSA-N 320.397 -0.131 30 20 DBED CC(C)C#CC(=O)NCCNC[C@@H](O)COC[C@H]1CCCO1 1126823074 OCFHDKQPMBMHNP-HUUCEWRRSA-N 312.410 -0.092 30 20 DBED C#CCOCCC(=O)NCCNCC(=O)Nc1cnccn1 1127031560 ICQGBDOHJNIJMI-UHFFFAOYSA-N 305.338 -0.839 30 20 DBED C=CCCNCc1nnc2n1CC[C@H](NC(=O)CC(N)=O)CC2 1127983841 CFDCOVYQVOZHMP-LLVKDONJSA-N 320.397 -0.360 30 20 DBED C#CCCN[C@@H]1CN(C(=O)c2cnsn2)C[C@@H]1n1ccnn1 1129612673 ANNASDURHMQBOV-NEPJUHHUSA-N 317.378 -0.192 30 20 DBED C#CCCN[C@@H]1CN(C(=O)[C@@H](COC)OC)C[C@@H]1n1ccnn1 1130002588 JIENINGVMPXCKQ-HZSPNIEDSA-N 321.381 -0.696 30 20 DBED C=CCOCCN1CC[C@@]2(C1)CN(C(=O)C(N)=O)C[C@H](C)O2 1131676442 AGMWPXOKZXVKGV-SWLSCSKDSA-N 311.382 -0.634 30 20 DBED C[C@@H]1CC[C@H](NC(=O)COCc2nncn2C)CN1CC#N 1132392324 IDNQEBLDELUUNX-NEPJUHHUSA-N 306.370 -0.176 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)c2cnc(C)n2C)C1=O 1132889408 CSXYOOVQYQJYOC-GFCCVEGCSA-N 305.382 -0.165 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1nccc2[nH]ccc12 1134010664 APGXMAHJORBNMH-UHFFFAOYSA-N 300.322 -0.478 30 20 DBED CNC(=O)NC(=O)CN[C@H](C)C[C@@H](C)NC(=O)C#CC(C)C 1134344938 NMEQBWXHMBATRR-VXGBXAGGSA-N 310.398 -0.026 30 20 DBED C#CCCN[C@@H](C)C[C@@H](C)NC(=O)Cn1ccc(O)nc1=O 1134891877 HWGXTJPREZXSOY-NWDGAFQWSA-N 306.366 -0.155 30 20 DBED C#CCN[C@@H](C)C[C@H](C)NC(=O)CN1C(=O)NC(C)(C)C1=O 1136112430 SPVZYMMCBAZFKI-QWRGUYRKSA-N 308.382 -0.177 30 20 DBED Cn1nnc(CN2CCC3(C2)CN(C(=O)CSCC#N)C3)n1 1147031108 GFZISNPEPNZVOB-UHFFFAOYSA-N 321.410 -0.499 30 20 DBED C=CCNC(=O)CN1CCC2(C1)CN(C(=O)CC(C)(C)O)C2 1147462212 ULHUYUOOQLZTIK-UHFFFAOYSA-N 309.410 -0.016 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)[C@@]13COC[C@@H]1C3)C2 1147589614 CQZRYFDPKLSWMF-GUYCJALGSA-N 317.389 -0.693 30 20 DBED CC(C)NC(=O)NC(=O)[C@@H](C)NCCCNC(=O)[C@@H](C)C#N 1155854768 NZOXXPRKKNXYRD-WDEREUQCSA-N 311.386 -0.135 30 20 DBED C#CCCN(CC)[C@H](C)CNC(=O)CS(=O)(=O)N(C)C 1156665752 ZMNHEJTVYFHLBI-GFCCVEGCSA-N 303.428 -0.272 30 20 DBED C#CCCCC(=O)NCCCNCC(=O)NC(=O)NCC=C 1157164562 SWJWTVAPIOEESH-UHFFFAOYSA-N 308.382 -0.102 30 20 DBED C#CCCCC(=O)NCCCNC[C@H](O)COCCOC 1157170521 KLSDHXCMFUETSO-AWEZNQCLSA-N 300.399 -0.090 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)[C@H]2CC(=O)N(C)C2)C1=O 1159262574 HPRCAJRKHLTOJF-STQMWFEESA-N 322.409 -0.653 30 20 DBED COCC#CCNCCCNC(=O)c1nc2ncc(C)cn2n1 1160645446 JKYWHUWJYHJNAL-UHFFFAOYSA-N 316.365 -0.208 30 20 DBED C#CCNC(=O)CNCC1(CCNC(=O)C2=CCOCC2)CC1 1164223437 RKKJNTCKSZFOKX-UHFFFAOYSA-N 319.405 -0.041 30 20 DBED C#CCOCCC(=O)NCCC1(CNCCOCCO)CC1 1164504518 ADYLLSAYEDRMRC-UHFFFAOYSA-N 312.410 -0.089 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H]2OCCN(CCF)[C@H]2C1 1176983063 MTDIUBWGACHGRQ-QWHCGFSZSA-N 311.357 -0.603 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)[C@H]1CCCN1C(C)=O 1177147346 ITXUUBUFCUGDPD-GXTWGEPZSA-N 324.425 -0.216 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)[C@@H](CC(C)C)C(N)=O 1177524879 UORSJTADXJEAGG-STQMWFEESA-N 324.425 -0.632 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2cnn(C)c2C)C1 1181006562 PCCCLYLCOLXNQK-DGCLKSJQSA-N 317.393 -0.329 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)c2ccc3nnnn3c2)C1 1184219931 DCJVHJUZELSZGD-CYBMUJFWSA-N 314.349 -0.422 30 20 DBED CC#CCCCC(=O)N1CC[C@@H](NCCN2C(=O)CNC2=O)C1 1185034959 IXZRYIVZAFLQSF-CYBMUJFWSA-N 320.393 -0.078 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)CC2=CCOCC2)C1 1185438841 JOGUYPGVJQNDET-CQSZACIVSA-N 305.378 -0.337 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)Cn2cc(Cl)cn2)C1 1185950877 FEALYTVIEZNZDR-GFCCVEGCSA-N 323.784 -0.524 30 20 DBED CC(C)(C(N)=O)C(=O)N1C[C@H](CNCC#N)C2(CCOCC2)C1 1186410149 OMKNGYHLPQIJEU-LBPRGKRZSA-N 322.409 -0.134 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2ncccn2)C1 1186512367 RKGNUSOEZYXYQH-VXGBXAGGSA-N 301.350 -0.581 30 20 DBED N#CCNC(=O)CN1C[C@@H]2CCN(C(=O)C3=COCCC3)[C@@H]2C1 1187208239 DPOXAGRFLIXAFF-GXTWGEPZSA-N 318.377 -0.147 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)C2CCCCC2)C1 1190700423 HVRXFSXUVOKHOB-BPLDGKMQSA-N 321.421 -0.134 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)/C=C\c2ccco2)C1 1190709262 GGXBLFPLYBGNMY-HLMASZERSA-N 317.345 -0.797 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)CCC(=O)NCC)C1 1191785945 WISLJAHCBHNNBQ-CHWSQXEVSA-N 313.398 -0.733 30 20 DBED CC(C)c1n[nH]c(CN2C[C@@H](O)[C@H](NC(=O)[C@@H](C)C#N)C2)n1 1191855118 WLCCTQGFENZWFY-HBNTYKKESA-N 306.370 -0.251 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CN(Cc2ccc(CO)cc2)C[C@H]1O 1191864171 LGZSZPPAJTVKEQ-KCPJHIHWSA-N 303.362 0.000 30 20 DBED Cc1c[nH]c(C(=O)N2CC[C@@H](N(C)CC(=O)NCC#N)C2)n1 1192767556 XVGPJJCEZMCSNP-LLVKDONJSA-N 304.354 -0.496 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@H]1CCN(C(=O)CN(CC)CC)C1 1192947767 MQUNIZNPMLAARK-GJZGRUSLSA-N 322.453 -0.001 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)S(C)(=O)=O)C1 1194136758 MEGAVIJBEAWIAC-OPRDCNLKSA-N 310.803 -0.667 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCCN(Cc2nc(=O)n(C)[nH]2)CC1 1195792226 RDYSPGIWYNREKO-LBPRGKRZSA-N 321.381 -0.819 30 20 DBED C#CCOCCC(=O)N1CCCN([C@H](C)c2nnnn2C)CC1 1195824231 NRRGJCUAUPAWLF-CYBMUJFWSA-N 320.397 -0.155 30 20 DBED CC(C)C[C@H](C)CC(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1O 1197698479 IWNCNZFHPSVPPD-BFHYXJOUSA-N 324.425 -0.140 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)CNC(=O)NCc2ccco2)C1 1199004848 XZPJNQBHCVHOJZ-CHWSQXEVSA-N 322.365 -0.574 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)[C@H](C)S(C)(=O)=O)CCCO1 1200816263 ZGSHNCUSXJKPKI-QWHCGFSZSA-N 316.423 -0.350 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)CCOCC#C)C1 1208029063 NSIXADBHYBHWBP-HUUCEWRRSA-N 319.405 -0.255 30 20 DBED COCC#CCN[C@@H]1CCCN(C(=O)[C@H](C)S(C)(=O)=O)C1 1208426915 OWWYSVXQPPEFAM-QWHCGFSZSA-N 316.423 -0.350 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@H](CC)NC(C)=O)C1 1209745777 VDTLLVJNTGUQTE-KGLIPLIRSA-N 324.425 -0.216 30 20 DBED CC#CCN[C@H]1CCCN(C(=O)CCn2cc[nH]c(=O)c2=O)C1 1210155532 SISKPAHHLZQFAO-ZDUSSCGKSA-N 318.377 -0.469 30 20 DBED CC[C@@H](F)C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1OC 1213268769 RTAOPNWBJLTBGX-GMTAPVOTSA-N 300.334 -0.810 30 20 DBED C=CCCCN1C[C@@H](NC(=O)CCn2cnnn2)[C@H](OC)C1 1213620119 GJMUTISELDPTOX-CHWSQXEVSA-N 308.386 -0.155 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)CCCN(C)C)C[C@H]1C 1215423614 QKVKISQLDXZERF-QLFBSQMISA-N 322.453 -0.097 30 20 DBED CC(C)(C)C#CC(=O)N1CCO[C@@H]2CN([C@@H]3CCNC3=O)C[C@@H]21 1217843732 HJIFKOBBDVSGRO-HZSPNIEDSA-N 319.405 -0.164 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2coc(C)n2)C[C@@H]1O 1219605458 SKFRTWILENBLLG-GDLCADMTSA-N 307.350 -0.317 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)CCOC[C@H]2CCCO2)C1 1219932302 DPHIBOXZVZCYLH-KFWWJZLASA-N 310.394 -0.243 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)C(C)(C)CC)C1 1220253223 NTHRWRNPINTPEB-XQQFMLRXSA-N 309.410 -0.278 30 20 DBED CC(C)(C)CCC(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@@H]1O 1220576646 JQMLIEKULGZYOD-NEPJUHHUSA-N 310.398 -0.386 30 20 DBED C=C[C@H](CC(=O)N[C@@H]1CN(CC(N)=O)C[C@@H]1O)c1ccccc1 1221042473 LRMOCZCQIBJVRP-YUELXQCFSA-N 317.389 -0.007 30 20 DBED N#CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3cscn3)[C@@H]2C1 1221433166 XKXZJGZLOPCBRG-ZYHUDNBSSA-N 319.390 -0.071 30 20 DBED CC[C@@H](C)OCC(=O)N1C[C@H]2CCN(CC(=O)NCC#N)C[C@H]21 1221483769 BIUHXRPAGDGLQR-MGPQQGTHSA-N 322.409 -0.026 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)C2=COCCO2)CC1 1222285380 TZRLINJNODPJPD-UHFFFAOYSA-N 321.377 -0.548 30 20 DBED C=CCNC(=O)CN1CCC(CNC(=O)C2(C(N)=O)CC2)CC1 1224318436 JKJUVSMNJNAYKP-UHFFFAOYSA-N 322.409 -0.618 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(N)=O 1226187351 JQIFVQMCIXKPSX-QJPTWQEYSA-N 324.381 -0.763 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)c2c(C)ncn2C)CC1 1227885042 KKSRFDAXGNYVDW-UHFFFAOYSA-N 317.393 -0.328 30 20 DBED N#CCN1CCC(NC(=O)CCc2nnc(O)nc2O)CC1 1228132678 NCIDPROPDYOGBB-UHFFFAOYSA-N 306.326 -0.680 30 20 DBED C=CCNC(=O)CN1CC[C@H]1CN(C)C(=O)c1nccnc1N 1231263718 OTIYCICGCOBUMT-NSHDSACASA-N 318.381 -0.493 30 20 DBED C=CCNC(=O)NC(=O)CN1CC[C@H](NC(=O)[C@H]2CCOC2)C1 1316970493 DSBAORDQOYYMME-RYUDHWBXSA-N 324.381 -0.775 30 20 DBED COC(=O)NCCCC(=O)NCCN/C(O)=C1\N=CC=CC1=O 1318390456 NSGJSRYKAOWVAJ-OUKQBFOZSA-N 324.337 -0.235 30 20 DBED C[C@@H](CC#N)NS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 1318737900 ZIVRGTHPWAARQS-ZETCQYMHSA-N 308.319 -0.203 30 20 DBED C#CCC[C@H](O)CNC(=O)C(=O)N=c1ccnc2n(C)[nH]cc1-2 1322979495 JVHHJRAWCAFCQE-JTQLQIEISA-N 315.333 -0.829 30 20 DBED O=C(Cn1nc2n(c1=O)CCCCC2)N[C@H]1CCCN(O)C1=O 1327114389 XFLNCORPNWBFBR-JTQLQIEISA-N 323.353 -0.732 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)NCc1cccc(C(N)=O)c1 1327522382 SWMLWPSTKINATH-LBPRGKRZSA-N 305.334 -0.281 30 20 DBED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NCC(=O)NCC1CC1 1327751625 GTVZGLKIRRDLCC-GXTWGEPZSA-N 323.393 -0.274 30 20 DBED C=CCN(C)C(=O)C(=O)N[C@H]1CCN(C2CCOCC2)C1=O 1330000875 DFEXIWXGVLLGEX-LBPRGKRZSA-N 309.366 -0.473 30 20 DBED CC#CCN(C)C(=O)C(=O)Nc1cccc(S(N)(=O)=O)c1 1330398587 QEWQRPPJHFVAJU-UHFFFAOYSA-N 309.347 -0.246 30 20 DBED C#CCCCn1nnnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1334650510 WTZQEIMMRTUPDF-NSHDSACASA-N 317.353 -0.441 30 20 DBED Cc1cc(NC(=O)C(=O)NCCN2CCC2)nn1CCC#N 1336893274 KPQJVVSBYOBVEI-UHFFFAOYSA-N 304.354 -0.134 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)NCCN1CCOCC1(C)C 1343079608 HXHAQWATZAUXAQ-GFCCVEGCSA-N 313.398 -0.469 30 20 DBED N#C[C@@H](C(=O)/C=C/c1ccc[nH]1)C(=O)N1CCS(=O)(=O)CC1 1343471493 WNEVHGJBOUXKLC-PCAWENJQSA-N 321.358 -0.006 30 20 DBED C#CCSCCn1nnnc1N1CCN(C(=O)OC)CC1 1343921457 GFCNORHZOWUALD-UHFFFAOYSA-N 310.383 -0.072 30 20 DBED CCn1cnc2c1CCN(C(=O)C(=O)N1CCO[C@@H](C#N)C1)C2 1345848997 JWBUCBLYTDGJDD-NSHDSACASA-N 317.349 -0.461 30 20 DBED CCOC(=O)CN(CC)C(=O)CCn1cc(C#N)c(O)nc1=O 1362243654 UYWHDELVDKVXQP-UHFFFAOYSA-N 322.321 -0.378 30 20 DBED N#Cc1ncn(CC(=O)N2CCC3(CC2)C[C@H](O)CCO3)n1 1363595269 DXSLNLZREFIIEU-LLVKDONJSA-N 305.338 -0.318 30 20 DBED COC(=O)[C@H]1CS(=O)(=O)CCN1Cc1cc(C#N)ccn1 1363844084 VLQZIFMREOYUMO-GFCCVEGCSA-N 309.347 -0.275 30 20 DBED COc1cc(OC)nc(C(=O)N[C@@H](C)CNC(=O)[C@H](C)C#N)n1 1392920439 CHYBSNPSWIDRBB-BDAKNGLRSA-N 321.337 -0.112 30 20 DBED COCCN(CCNC(=O)[C@@H](C)C#N)[C@H]1CCCN(C)C1=O 1394830280 RPYPFMUXQJOXAV-STQMWFEESA-N 310.398 -0.169 30 20 DBED CCCN(CCNC(=O)[C@@H](C)C#N)C(=O)CS(C)(=O)=O 1398277536 ZCIXNDSYISVDNY-JTQLQIEISA-N 303.384 -0.455 30 20 DBED C[C@H](C#N)C(=O)NCCN(C)Cc1nc(O)c2cnn(C)c2n1 1399431757 AQMQLJLKISIIGB-SECBINFHSA-N 317.353 -0.223 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@@H]1CCCN(C(=O)Cn2ncnn2)C1 1415345260 BYNJNMNNWPPBII-WDEREUQCSA-N 305.342 -0.718 30 20 DBED CCN(CCC#N)C(=O)CN[C@@H](C)CNC(=O)c1cncn1C 1419784024 SHMNZDUYBHIWAI-LBPRGKRZSA-N 320.397 -0.110 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C)C(=O)C1CCN(C(N)=O)CC1 1431480397 NECLKSRFTXGUNJ-JTQLQIEISA-N 309.370 -0.489 30 20 DBED CCN(CCNC(=O)[C@@H](C)C#N)C(=O)c1cccn2nnnc12 1431688571 PAXRFACTNVZXBP-JTQLQIEISA-N 315.337 -0.138 30 20 DBED CCC(=O)NCC(=O)NC[C@H](C)NC(=O)c1cc(C#N)c[nH]1 1431792366 HYOHLYGNQONYPB-VIFPVBQESA-N 305.338 -0.353 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)CCc1ncccn1 1433330991 KQWIAPXBFVBQGO-QWRGUYRKSA-N 305.338 -0.838 30 20 DBED N#Cc1sc(NC(=O)c2cn(CC(N)=O)nn2)nc1Cl 1436223392 PXLVZKIWUOEUBF-UHFFFAOYSA-N 311.714 -0.003 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(CCN(C)C(=O)CC(C)(C)O)CC1 1450100581 YJYHIHOIDFVCOB-ZDUSSCGKSA-N 324.425 -0.090 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)c2coc(C(N)=O)c2)C1 1454339382 AJYBPLQCYMNDNB-SZEHBUNVSA-N 304.306 -0.085 30 20 DBED C[C@@H](CN1CCOCC1)C(=O)N(C)CCNC(=O)[C@H](C)C#N 1455432187 IARHTBQPGKYHEP-OLZOCXBDSA-N 310.398 -0.311 30 20 DBED COC(=O)NCC(=O)NC1CN(C(=O)c2c[nH]c(C#N)c2)C1 1456228437 WCMZWKYPTKJKAY-UHFFFAOYSA-N 305.294 -0.817 30 20 DBED C[C@@H](CN(C)C(=O)Cn1ccccc1=O)NC(=O)[C@@H](C)C#N 1487775324 UYSJQLFUWGPPRD-RYUDHWBXSA-N 304.350 -0.029 30 20 DBED C[C@@H](CN(C)C(=O)CCNS(C)(=O)=O)NC(=O)[C@H](C)C#N 1487801175 DHMPVYVKPYEACA-ZJUUUORDSA-N 318.399 -0.952 30 20 DBED C=C(Br)CNC[C@H](O)CNC(=O)c1ncn(C)n1 1496977416 NGEOWPMUWRNIEN-QMMMGPOBSA-N 318.175 -0.596 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@](C)(NC(=O)Cc1nc[nH]n1)C1CC1 1531791325 NNRHJOCGHAIMBP-LKFCYVNXSA-N 304.354 -0.092 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)CC[C@@H]2NC(=O)NC2=O)C1 1566679908 LQTLEGXPTLURBN-RYUDHWBXSA-N 324.381 -0.632 30 20 DBED CC#CCCCC(=O)N1C[C@H](O)[C@H](NC(=O)[C@H]2CCCN2C)C1 1572984189 JECJUEAPHCXPBZ-KFWWJZLASA-N 321.421 -0.038 30 20 DBED CC(=O)N1CCC(Nc2cnc(C#N)c(-c3nn[nH]n3)n2)CC1 1573438572 BWGIJUFZGMIBSE-UHFFFAOYSA-N 313.325 -0.049 30 20 DBED C[C@H](C(=O)NCc1cncc(-c2nn[nH]n2)c1)n1cnc(C#N)n1 1573730314 NTVLACNMVZADEC-MRVPVSSYSA-N 324.308 -0.398 30 20 DBED N#Cc1ncc(N2CCC[C@H](OCCO)C2)nc1-c1nn[nH]n1 1581882245 QQQAXYXRAVHRNT-VIFPVBQESA-N 316.325 -0.494 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2CC[C@H](C(=O)O)C2)C1=O 1588464254 KJXRBQSPDZEYKJ-WDEREUQCSA-N 323.349 -0.835 30 20 DBED CC1(C)CO[C@H](Cn2c(=O)c(C#N)cn(CC(=O)O)c2=O)C1 1589232359 SIISXNSBBBFXIY-JTQLQIEISA-N 307.306 -0.219 30 20 DBED N#Cc1ccc(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)O)nc1 1601091865 CFGCLMCHRRQUMP-SNVBAGLBSA-N 309.303 -0.723 30 20 DBED C#CC[C@H](NS(=O)(=O)c1ccc2c(c1)nnn2C)C(=O)O 1602698300 AZPKMSFBYLPJFV-VIFPVBQESA-N 308.319 -0.277 30 20 DBED Cn1cc(C#N)c(NC(=O)Cn2cccc(C(=O)O)c2=O)n1 1608093719 RBQXQEXLTGACLU-UHFFFAOYSA-N 301.262 -0.210 30 20 DBED CN(CCC#N)S(=O)(=O)N1CC[C@H](CS(C)(=O)=O)C1 1649813900 DJTQNWBFCAHWPP-JTQLQIEISA-N 309.413 -0.557 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1CCCN(CC(=O)NC)C1 1731354526 JHRFQRNKQDWMQN-KGLIPLIRSA-N 324.425 -0.216 30 20 DBED CNS(=O)(=O)CCC(=O)N1[C@H]2CC[C@H]1CN(CC#N)C2 1752534875 UHAIFZDQIYXIOH-QWRGUYRKSA-N 300.384 -0.876 30 20 DBED C=C(C)CCNC[C@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 1752941621 MISVBRGKOHJDKU-GFCCVEGCSA-N 320.397 -0.219 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@@H]1CNC(=O)c1cn(CC)nn1 1754498098 UFNZNWQLSZAMPT-VXGBXAGGSA-N 318.381 -0.760 30 20 DBED C#CCCN1CC[C@@H](N2CCN(C(=O)[C@@H](C)NC(C)=O)CC2)C1 1754661321 BVHQUWDTBPAHMF-GDBMZVCRSA-N 320.437 -0.247 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)[C@@H](NC(N)=O)C(C)(C)C)CCO1 1755014158 DTYIWOCDEMEPTP-CHWSQXEVSA-N 324.425 -0.090 30 20 DBED C=CCNC(=O)CN1CC(CCO)(NC(=O)C=C2CCC2)C1 1755332203 RZJWYWQRTRAMSY-UHFFFAOYSA-N 307.394 -0.048 30 20 DBED C#CCNC(=O)CN1CC([C@H](C)NC(=O)C2=COCCC2)C1 1755372123 BWFXSHKTTVNDNM-LBPRGKRZSA-N 305.378 -0.133 30 20 DBED C=CCC[C@H](C)N[C@@H](CO)CNC(=O)c1nnc(O)nc1O 1755640417 DGLCWTJEJOKNBF-DTWKUNHWSA-N 311.342 -0.682 30 20 DBED C[C@H]1[C@@H](NC(=O)Cn2cccn2)CCCN1CC(=O)NCC#N 1755713626 BAMHPRDAZLUQCU-STQMWFEESA-N 318.381 -0.508 30 20 DBED C=CCN(C)C[C@H](O)CN(C)C(=O)[C@@]1(C)CCCS1(=O)=O 1755806409 DWOVMAQTGCGBFB-GXTWGEPZSA-N 318.439 -0.109 30 20 DBED C#CCNC(=O)CN(C)CCN(C(=O)[C@@H]1CCCN1C)C(C)C 1755808708 CLOSQZGWGXTOGT-HNNXBMFYSA-N 322.453 -0.001 30 20 DBED CCN(C)C(=O)CN(CCNC(=O)C#CC1CC1)CCOC 1755838003 GJXZDFSRYOLZIF-UHFFFAOYSA-N 309.410 -0.057 30 20 DBED C=C[C@@](C)(O)CC(=O)N(C)C[C@@H](C)NC(=O)CN(C)C(C)=O 1756448295 QAWNNAJJDWSBCG-IAQYHMDHSA-N 313.398 -0.245 30 20 DBED CCn1nccc1C(=O)N[C@@H](CO)CNC(=O)C#CC(C)C 1756518356 XLNVKAYIODRLFE-GFCCVEGCSA-N 306.366 -0.231 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H](CO)NC(=O)c1ccnn1CC 1756521198 LLSPKUBGKQYSNO-NWDGAFQWSA-N 322.365 -0.852 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(C(=O)[C@@H](CC)NC(C)=O)C[C@H]1O 1756992155 RHGMMBISGVVBRW-MGPQQGTHSA-N 323.393 -0.608 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(C)=O)C2)C1 1831391116 HCVCNZGZKASANK-XJKSGUPXSA-N 324.377 -0.499 30 20 DBED C[C@@H](NS(=O)(=O)N(C)CCC#N)C(=O)NCc1ccco1 68348158 OSOJROCKFUMVIE-SNVBAGLBSA-N 314.367 -0.036 30 20 DBED CN(C)C1(CNS(=O)(=O)N(C)CCC#N)CCOCC1 114211136 YNTFBAHIEPFTLP-UHFFFAOYSA-N 304.416 -0.223 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)[C@H]2CCCN2C)CC1 162735750 IOHXGMPWBCHGNY-UONOGXRCSA-N 306.410 -0.637 30 20 DBED Cn1cnc2c1c(=O)n(CC(=O)O[C@H](C#N)C1CC1)c(=O)n2C 176066190 WGABCVREFHRWJE-SECBINFHSA-N 317.305 -0.721 30 20 DBED N/C(=N/Cc1ccc(S(N)(=O)=O)cc1)NC[C@@H]1CCCO1 261775124 NDUIESJCLSBHGR-NSHDSACASA-N 312.395 -0.083 30 20 DBED C=C[C@@H](CO)NC(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1 290729360 YLMGSPRISOPNBB-GWCFXTLKSA-N 320.324 -0.091 30 20 DBED C=CCN(CCC#N)C(=O)CNS(=O)(=O)CCOCC 293707944 IXMMVEGISPGMPT-UHFFFAOYSA-N 303.384 -0.129 30 20 DBED N#Cc1cncc(S(=O)(=O)N2CC[C@@H](N3CCNCC3)C2)c1 320550408 JYFVVIXSOBPRSJ-CYBMUJFWSA-N 321.406 -0.379 30 20 DBED C[C@H](CN1CCN(C)CC1)NS(=O)(=O)CC1(C#N)CC1 329633957 SSTQLFVXHJSWEB-GFCCVEGCSA-N 300.428 -0.155 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H](C)CN1CCCC1=O 330371183 HZCPZQDKPFIRAX-MNOVXSKESA-N 302.400 -0.077 30 20 DBED CN1CC=C(CNS(=O)(=O)N2CCO[C@H](C#N)C2)CC1 336882559 FQWHOXKNZPAOKD-GFCCVEGCSA-N 300.384 -0.693 30 20 DBED N#C[C@H]1CN(S(=O)(=O)N2CC[C@@]3(CCOC3)C2)CCO1 336951559 UUNWPSJOXBEFAZ-NWDGAFQWSA-N 301.368 -0.432 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)NC[C@H](CO)[C@H]1CCOC1 337771846 ONNVWZZKANGGRX-GRYCIOLGSA-N 305.400 -0.300 30 20 DBED COCCN([C@H](C)C(N)=O)S(=O)(=O)c1ccc(C#N)o1 344409534 NXPPXQAMVNTCPG-MRVPVSSYSA-N 301.324 -0.338 30 20 DBED CC(=O)N[C@H](CC(=O)N[C@H](C#N)c1ccccc1F)C(N)=O 345973151 WISTZPMCMSVPCY-VXGBXAGGSA-N 306.297 -0.113 30 20 DBED CC[C@]1(C)NC(=O)N(CC(=O)N(CC#N)CC(=O)OC)C1=O 358565017 HSRKRMFZMNITCW-ZDUSSCGKSA-N 310.310 -0.768 30 20 DBED C=C[C@@H](CO)NC(=O)N[C@H]1CCCN(Cc2nccn2C)C1=O 359199505 QGTIJNLSOIVQJW-RYUDHWBXSA-N 321.381 -0.243 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)C(=O)c2cccn2C)CC1 491693230 SYLQXKXCDXDVTL-UHFFFAOYSA-N 316.361 -0.899 30 20 DBED C#CCN1CCN(C(=O)CN2CCOC[C@H]2[C@H]2CCCO2)CC1 491777929 XIKHIBLMRIJVKN-JKSUJKDBSA-N 321.421 -0.356 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N[C@H]2CCO[C@@H]2C2CC2)CCO1 554519275 CEALKYHVCSXSQT-GRYCIOLGSA-N 301.368 -0.387 30 20 DBED CN(C(=O)CN[C@]1(C(N)=O)CCOC1)C1(C#N)CCCCC1 565163973 MHPWKAKDZFBKMC-OAHLLOKOSA-N 308.382 -0.095 30 20 DBED CCN1CCN(C(=O)C(=O)Nc2cccc(C#N)n2)[C@H](C)C1=O 578069253 XJNTWZSEIANBFZ-SNVBAGLBSA-N 315.333 -0.029 30 20 DBED CNC(=O)CN1CCC(NC(=O)c2cccc(C#N)n2)CC1 589299916 NVSWPJLHABPJAN-UHFFFAOYSA-N 301.350 -0.107 30 20 DBED N#Cc1ccnc(N2CCN(C(=O)[C@@H]3CCO[C@@H]3CN)CC2)c1 595918373 ACIINCFUUYGGQX-ZIAGYGMSSA-N 315.377 -0.034 30 20 DBED CCOC(=O)[C@@H](N)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 595920800 WRADLJAYQJWMSX-ZDUSSCGKSA-N 317.349 -0.508 30 20 DBED CCOC(=O)CNC(=O)[C@@H]1COCCN1C(=O)CCCC#N 597629242 YUSNVGSJEZHSCY-NSHDSACASA-N 311.338 -0.413 30 20 DBED CCN1CCN(CC(=O)N2CCC[C@@H](CC#N)C2)C(=O)C1=O 597914071 PXLWXGRTWITVAJ-LBPRGKRZSA-N 306.366 -0.171 30 20 DBED CC#CC[C@H](CO)NC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 649185503 GAPZXSLNTAOZPV-JIFFNSBPSA-N 320.345 -0.961 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC[C@H]2CCCOC2)C1=O 671338279 FMEIJDXCCSGPOI-CHWSQXEVSA-N 323.393 -0.226 30 20 DBED CNC(=O)NC(=O)COC(=O)CNC(=O)c1ccc(C#N)cc1 727012808 MSLRBTNFTPUOON-UHFFFAOYSA-N 318.289 -0.713 30 20 DBED C=C(Cl)CNC(=O)N1CCN(S(=O)(=O)N(C)C)CC1 736398899 IIEWKZPQJPKHQD-UHFFFAOYSA-N 310.807 -0.128 30 20 DBED C#CCOCCC(=O)NS(=O)(=O)c1ccc(C(N)=O)s1 756565783 WSGHLMRRZVDLGV-UHFFFAOYSA-N 316.360 -0.308 30 20 DBED N#Cc1c2c(cn(CN3CCO[C@@H](C(N)=O)C3)c1=O)CCC2 766620769 XKTJCMYFRQVFHC-CYBMUJFWSA-N 302.334 -0.648 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)c1cc(O)nc(OC)n1 770516168 CGWDZFIWVDSSMG-UHFFFAOYSA-N 310.266 -0.641 30 20 DBED CC(C)(NS(C)(=O)=O)C(=O)OCC(=O)NC1(C#N)CCC1 784234645 XFESIRQMWXVPEV-UHFFFAOYSA-N 317.367 -0.580 30 20 DBED CN(C)c1c(C=NNc2ncncc2F)c(=O)n(C)c(=O)n1C 793214387 IKDYAFTZXZCARA-UHFFFAOYSA-N 321.316 -0.475 30 20 DBED C=C(C)[C@H]1OCC[C@H]1CNS(=O)(=O)CCS(C)(=O)=O 797841337 LVSUUEKOQIEYOE-WDEREUQCSA-N 311.425 -0.068 30 20 DBED C#C[C@@H](NC(=O)NCCS(=O)(=O)N1CCOCC1)C(C)C 798522377 LQEYIVTZVOKTFT-GFCCVEGCSA-N 317.411 -0.395 30 20 DBED C#C[C@H](NC(=O)N1CC[C@H](S(C)(=O)=O)C1)[C@@H]1CCCO1 799976406 XGGOXZVNWAJMTL-SRVKXCTJSA-N 300.380 -0.004 30 20 DBED Cn1cnc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)n1 817149148 GNKQHXZRDNKXPD-UHFFFAOYSA-N 320.334 -0.508 30 20 DBED N#C[C@H]1CN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CCO1 822806435 MOERIUVPPJQCEX-ZETCQYMHSA-N 302.254 -0.101 30 20 DBED C=C[C@H](O)C(=O)NC[C@H](C)N(CC(F)F)C(=O)[C@@H](O)C=C 834459377 ZNRCDPPENDIDPQ-GUBZILKMSA-N 306.309 -0.321 30 20 DBED N#C[C@@H]1CNC[C@@H]1NC(=O)c1cc(C(N)=O)n(-c2ccccc2)n1 834489854 QBLPILLEWWLDKF-MFKMUULPSA-N 324.344 -0.187 30 20 DBED CC(=NNC(=S)NCCN1CCOCC1)c1ncccn1 841606499 GOVVILJQQUPTAX-UHFFFAOYSA-N 308.411 -0.003 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@H](CN)C1CCCC1)[C@@H]1CCCO1 842165039 ZVGSPMDVHHRORQ-MJBXVCDLSA-N 307.394 -0.083 30 20 DBED COc1ccc(CNC(=O)C(=O)N[C@@H]2CCNC2)cc1C#N 861759656 TVEUFKHAAZUARE-GFCCVEGCSA-N 302.334 -0.339 30 20 DBED C#C[C@](C)(CC)NS(=O)(=O)CCCS(=O)(=O)N(C)C 867321894 ZQRUWWDJAJWYRH-LLVKDONJSA-N 310.441 -0.011 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N1CC(N2CCCC2=O)C1 907737036 LDQQMPYGQSSRIL-SNVBAGLBSA-N 300.384 -0.228 30 20 DBED CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)c1cccc(C#CCO)c1 912398126 ZCQYKTKCCOQNSM-KGLIPLIRSA-N 323.370 -0.428 30 20 DBED Cn1nccc1C=NNC(=S)NCCCN1CCOCC1 914559172 BERZQCXLDNXHHS-UHFFFAOYSA-N 310.427 -0.060 30 20 DBED C#Cc1cncc(C(=O)N[C@H]2CCN(CC(N)=O)C[C@@H]2C)c1 942618042 STOOUTBCMAAMOI-FZMZJTMJSA-N 300.362 -0.012 30 20 DBED CO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1NC(=O)Cc1cnoc1 945762326 FUSXUGHITMZFEU-YUSALJHKSA-N 306.322 -0.281 30 20 DBED C[C@H](C#N)C(=O)N1CCOC2(CCN([C@@H]3CCNC3=O)CC2)C1 949054347 YKUUGOWCOCSRIK-CHWSQXEVSA-N 320.393 -0.272 30 20 DBED CN(C(=O)Cn1nccn1)C1CN(C(=O)c2c[nH]c(C#N)c2)C1 954369157 KOBOLDNSKNMJCK-UHFFFAOYSA-N 313.321 -0.539 30 20 DBED N#CCN1C[C@H](O)[C@H](CNC(=O)c2ccc(C(N)=O)cc2)C1 958662185 PGWLDGPFZYSFMT-OLZOCXBDSA-N 302.334 -0.668 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](CNC(=O)c2cccc(C(N)=O)n2)C1 958736139 JNYMWUXPABWYQE-BXUZGUMPSA-N 318.377 -0.221 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2ccncn2)C1 958933834 RCYUUZFGQPBWMR-DLOVCJGASA-N 303.322 -0.720 30 20 DBED C[C@@H]1CN(C(=O)CC(N)=O)C[C@@H]1CNC(=O)c1cc(C#N)c[nH]1 959411787 RAALOHCDXLGUMV-KOLCDFICSA-N 317.349 -0.414 30 20 DBED N#CCN1C[C@H]2[C@H](NC(=O)[C@H]3CCc4nncn4CC3)[C@H]2C1 961270244 SQCMIEHPYUQBSN-CIQGVGRVSA-N 300.366 -0.199 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CN(C(=O)Cn3cnnc3O)C[C@H]2C1 961412973 RACJBAJJFDYNFN-GARJFASQSA-N 318.337 -0.940 30 20 DBED CC#CCN1C[C@H]2[C@H](NC(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)[C@H]2C1 961746390 QHRMYTUZOGITNB-SEBNEYGDSA-N 319.405 -0.308 30 20 DBED C#Cc1ccc(C(=O)N2C[C@H]3CCN(C(=O)C(N)=O)C[C@H]32)cn1 974668704 ARJQHQADVZCROQ-DGCLKSJQSA-N 312.329 -0.779 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)[C@@H]3CC(=O)N(C)C3)[C@H]2C1 976653991 QCYGZXJXNSIYLB-VLLVSFFDSA-N 304.350 -0.803 30 20 DBED C#CCN1C[C@H](NC(=O)CN2C(=O)CN(C)C2=O)C(C)(C)C1 977568386 RXBIWPHUOQZTHR-NSHDSACASA-N 306.366 -0.660 30 20 DBED N#CCN1CCCC2(C1)CN(C(=O)[C@H]1CCS(=O)(=O)C1)C2 981878150 NNGBMGNIMUPLIW-LBPRGKRZSA-N 311.407 -0.131 30 20 DBED C=C(C)CN(C)C1CCN(C(=O)c2cn(CC(N)=O)nn2)CC1 985801693 ILGCSPCQQMEAIJ-UHFFFAOYSA-N 320.397 -0.124 30 20 DBED C#CCN[C@H]1CCN(C(=O)CN2CCCCS2(=O)=O)[C@@H]1C 986568931 ABHMEJFINCUWPP-OLZOCXBDSA-N 313.423 -0.376 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](CN(C)C(=O)c2cnnn2C)C1 988288340 SXJKQJVOFOZPEX-GHMZBOCLSA-N 304.354 -0.105 30 20 DBED C#Cc1ccc(C(=O)N2CC(NC(=O)c3nnn(C)c3C)C2)cn1 990606082 VTCGRUZGMOHHEC-UHFFFAOYSA-N 324.344 -0.246 30 20 DBED CCn1ncc(C(=O)N2CC(NC(=O)c3c[nH]c(C#N)c3)C2)n1 990930155 CGLDMFCKXMXIHD-UHFFFAOYSA-N 313.321 -0.248 30 20 DBED N#Cc1cc(C(=O)NC2CN(C(=O)[C@@H]3CCC(=O)N3)C2)c[nH]1 990930442 GRRMIRIQLUAYDL-NSHDSACASA-N 301.306 -0.894 30 20 DBED C#CCCN1CC[C@@]2(NC(=O)CN3CCOCC3=O)CCC[C@H]12 991091784 YSMLAAAXDHZKCQ-YOEHRIQHSA-N 319.405 -0.018 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@H](NC(=O)c2cn(C)nn2)[C@H](O)C1 991446922 SKDWKOAODGHFAZ-CMPLNLGQSA-N 321.381 -0.281 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2CCC(=O)NC2)C1 995137263 HEPIMLZEOMVKBO-UHTWSYAYSA-N 321.377 -0.569 30 20 DBED C#CCNC1CC(N(C)C(=O)[C@@H]2CC(=O)N(CCOC)C2)C1 998864602 XSPKMKGLXLKLNV-IYXRBSQSSA-N 307.394 -0.307 30 20 DBED O=C1CCCC[C@H](C(=O)NC2CN(C(=O)C#CC3CC3)C2)N1 999367338 BKIXHVPMJCUDTA-CYBMUJFWSA-N 303.362 -0.214 30 20 DBED COCCN1C[C@H](C(=O)NCC2=CCN(CC#N)CC2)CC1=O 1000749250 QSWINXARULXXBA-CQSZACIVSA-N 320.393 -0.247 30 20 DBED CN(C[C@H]1CCCN1C(=O)C#CC1CC1)C(=O)[C@H]1CCNC1=O 1002484533 BJGKKPZBTOTKIN-KGLIPLIRSA-N 317.389 -0.015 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)CC(N)=O)C1 1006182516 YWRNSYRKYIDSMS-UHTWSYAYSA-N 323.393 -0.194 30 20 DBED CC#CCN1CCC[C@H](NC(=O)[C@@H]2CCN(C)S2(=O)=O)C1 1008842149 VKJGBMPHMSBWDR-STQMWFEESA-N 313.423 -0.376 30 20 DBED CN1CC[C@H](N2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)C1=O 1010696074 GJGZIMQIOWVVJS-AAEUAGOBSA-N 301.350 -0.079 30 20 DBED C#CCCN1CC[C@@H](NC(=O)Cn2ncn3nccc3c2=O)C1 1015788626 IKYPVUJYUBJVHE-GFCCVEGCSA-N 314.349 -0.895 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCN(Cc2nnnn2C)C1 1015826750 HBKGCPMVWYTEFS-OBJOEFQTSA-N 320.397 -0.118 30 20 DBED N#CCN1CC[C@H]2[C@H](CCCN2C(=O)C2CS(=O)(=O)C2)C1 1021595632 CKUVQLSDCZJLRS-YPMHNXCESA-N 311.407 -0.133 30 20 DBED N#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)c2nnc(O)nc2O)C1 1021623435 OGONMXRPLQFWRS-VHSXEESVSA-N 318.337 -0.267 30 20 DBED N#Cc1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCOC3)C2)[nH]1 1023157366 CALHGVWSNZFHMC-OASPWFOLSA-N 318.333 -0.776 30 20 DBED C=C[C@@](C)(CC)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2nc[nH]n2)C1 1025109662 MPEYJUILYAFTCW-RULNRJAQSA-N 307.354 -0.292 30 20 DBED C#CCCN1CC[C@H](CNC(=O)c2cc(=O)n3[nH]cnc3n2)C1 1028928609 MICGVOMXYWUUSA-LLVKDONJSA-N 314.349 -0.507 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2CC[C@H](C1)N2[C@H](C)C(N)=O 1029342376 LMIIVZOURCPJMK-KBXIAJHMSA-N 318.421 -0.367 30 20 DBED CN1C[C@H](C(=O)NC2CN(CC#Cc3ccccc3)C2)NC1=O 1030793400 PATLZTTZJCANCU-OAHLLOKOSA-N 312.373 -0.138 30 20 DBED Cn1nnc(C(=O)NC2CN(Cc3ccc(C#N)cc3F)C2)n1 1030803117 APDUTZIBCBWEML-UHFFFAOYSA-N 315.312 -0.165 30 20 DBED C=C(Cl)CN1CCO[C@H](CNC(=O)[C@H]2CCC(=O)N2)C1 1035314460 YAPIRWXMYRGKIY-GHMZBOCLSA-N 301.774 -0.166 30 20 DBED C#CCN[C@H]1CCN(C(=O)CCN2C(=O)CCC2=O)C[C@H]1C 1036108291 IYJXVBANKKYZOC-OLZOCXBDSA-N 305.378 -0.015 30 20 DBED Cc1cc2[nH]c(=O)c(C(=O)N[C@@H]3[C@H]4C[C@H]3N(CC#N)C4)cn2n1 1037626968 VCBSFXGWGYAMAA-UFGOTCBOSA-N 312.333 -0.343 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2CCN2Cc2nc(O)n[nH]2)cn1 1038931739 KEPINKOBXRUBNP-LBPRGKRZSA-N 312.333 -0.109 30 20 DBED N#CCN1CCC[C@@]2(CCN(C(=O)c3nnc(O)nc3O)C2)C1 1040282695 YMCSQURKHRQLOF-CQSZACIVSA-N 318.337 -0.266 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1040609250 NVLBQRRFCYYVEK-HHHUMZEGSA-N 307.350 -0.882 30 20 DBED Cn1cncc1C(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@H]1O 1041228156 PDXRTAJCUNECCN-BXUZGUMPSA-N 312.333 -0.334 30 20 DBED C=CCCO[C@H](C)C(=O)NCC1(O)CN(C(=O)c2ccon2)C1 1041874743 WCDUIRYWVWXOPF-LLVKDONJSA-N 323.349 -0.041 30 20 DBED C=C(C)CCC(=O)N1CC(O)(CNC(=O)[C@H]2C[C@@H]2C(=O)OC)C1 1041983998 IOIOZVFNPYRFBM-RYUDHWBXSA-N 324.377 -0.159 30 20 DBED Cc1ccncc1C(=O)NCC1(O)CN(C(=O)[C@H](C)C#N)C1 1042279885 AQOZYJWWCXOUGA-LLVKDONJSA-N 302.334 -0.147 30 20 DBED CN(C(=O)Cn1cnnn1)C1CN(Cc2ccc(C#N)cc2)C1 1042460684 WSONVXYVLOFYNL-UHFFFAOYSA-N 311.349 -0.112 30 20 DBED C=CCN1CC[C@H](N2CC(N(C)C(=O)[C@@H]3COCCO3)C2)C1=O 1042494615 LAQQFCWVLIUPCW-KBPBESRZSA-N 323.393 -0.669 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(O)CN(C(=O)CSC)C1 1042810457 XHWFMKGOJQVNIY-LBPRGKRZSA-N 302.396 -0.634 30 20 DBED C=C(C)CN1CC(N(C)C(=O)CN2CCCS2(=O)=O)C1 1042852108 SWNIGWDVAKSLLC-UHFFFAOYSA-N 301.412 -0.259 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)[C@]2(C)CCOC2)C1 1042937810 LMUHSQDVMQAWRS-OAHLLOKOSA-N 308.378 -0.238 30 20 DBED Cn1nccc1CC(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042958325 JUJQPVITLWSKPS-UHFFFAOYSA-N 316.361 -0.935 30 20 DBED C=C[C@](C)(CC)C(=O)N1CC(O)(CNC(=O)Cn2nccn2)C1 1043211243 YYARULDASVADDI-CQSZACIVSA-N 321.381 -0.430 30 20 DBED C=CCCOCC(=O)NCC1(O)CN(C(=O)c2nc(C)c[nH]2)C1 1043570856 LATPLSQZCBYPOC-UHFFFAOYSA-N 322.365 -0.386 30 20 DBED C=CCCN1CC(N(C)C(=O)CN2CCS(=O)(=O)CC2)C1 1044287468 AQHCWTDXZPBAMJ-UHFFFAOYSA-N 315.439 -0.565 30 20 DBED C=C(C)C(C)(C)C(=O)NCC1(O)CN(C(=O)Cn2nccn2)C1 1044404919 NFKHEQRJHMSAKW-UHFFFAOYSA-N 321.381 -0.430 30 20 DBED C[C@H](C#N)C(=O)N1CCN([C@@H]2CCN(Cc3cnon3)C2)CC1 1046013223 VFMJUJJAEXUOAI-TZMCWYRMSA-N 318.381 -0.052 30 20 DBED CNC(=O)CN1CC[C@@H](N2CCN(C(=O)C#CC3CC3)CC2)C1 1046028074 XMBAINUTZCWQBX-OAHLLOKOSA-N 318.421 -0.636 30 20 DBED N#Cc1ccc(N[C@H]2C[C@@H](CNC(=O)[C@@H]3CCC(=O)N3)C2)nn1 1046422483 KMHWPTXVJIFBOI-WCQGTBRESA-N 314.349 -0.066 30 20 DBED N#CCN1CCC(F)(F)[C@H](CNC(=O)C2CS(=O)(=O)C2)C1 1046940126 RUHKGNLXWRPKDG-SNVBAGLBSA-N 321.349 -0.372 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCc2ncc[nH]2)C1 1048768853 AJAIGXQRROSDOB-WOPDTQHZSA-N 319.365 -0.468 30 20 DBED CN(C)CCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C#CC2CC2)C1 1048824918 OYGPGIWWQKWKPC-KBPBESRZSA-N 307.394 -0.618 30 20 DBED C#CCCN1CCOC[C@@H]1CNC(=O)c1cnc(N(C)C)cn1 1050918833 ZQMWVJFAJAGQAH-ZDUSSCGKSA-N 317.393 -0.004 30 20 DBED C=CCN1CCOC[C@H]1CNC(=O)C1CCN(C(N)=O)CC1 1051238832 ZEODREDUJCSVFI-CYBMUJFWSA-N 310.398 -0.220 30 20 DBED C=CCN1CCN([C@@H]2CCN(C(=O)[C@@H]3COC(=O)N3)C2)CC1 1052023342 SEINWFWEGPQUQL-OLZOCXBDSA-N 308.382 -0.501 30 20 DBED C[C@H](C(N)=O)N1CC2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1053209019 JGXVSZPIZXDVIU-SNVBAGLBSA-N 317.349 -0.713 30 20 DBED C=CCN1CC2(C1)CN(C(=O)[C@H]1CN3CCC[C@@H]3CO1)CCO2 1053262833 FAPWXJSSPKLYQU-HUUCEWRRSA-N 321.421 -0.051 30 20 DBED N#CCN1CC2(C1)CN(C(=O)[C@@H]1CCn3ccnc3C1)CCO2 1053314210 NXIGCBBDEXBTNP-CYBMUJFWSA-N 315.377 -0.118 30 20 DBED C#CCN1CC2(C1)CN(C(=O)[C@H]1CC(=O)N[C@@H](C)C1)CCO2 1053321608 LSFBJPYZVCSNJJ-QWHCGFSZSA-N 305.378 -0.553 30 20 DBED C=C(Cl)CN1CC2(C1)CN(C(=O)C1(C(N)=O)CC1)CCO2 1053402457 BGPQGMPZUNKMLM-UHFFFAOYSA-N 313.785 -0.082 30 20 DBED C[C@@H](C#N)C(=O)N1[C@H]2CC[C@@H]1C[C@H](CNC(=O)CNC(N)=O)C2 1053596959 KOQJYDVRNHNKBM-YFKTTZPYSA-N 321.381 -0.300 30 20 DBED C#CCN1CC2(CC[C@H](CNC(=O)[C@H]3COCCN3CC)O2)C1 1053620944 XKSADBGTLUJGCH-HUUCEWRRSA-N 321.421 -0.310 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)C[C@@H]3CCN(C)C3=O)CO2)C1 1053841097 ACZQGXSICXMVBI-STQMWFEESA-N 305.378 -0.553 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)c3ccc(=O)n(C)c3)CO2)C1 1053856409 JQSLXJLGBDHXFK-CQSZACIVSA-N 315.373 -0.018 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)[C@H]3CCc4nn[nH]c4C3)CO2)C1 1053981362 ISCKHMIQSWSNRY-WDEREUQCSA-N 316.365 -0.607 30 20 DBED N#CCSCC(=O)N1C[C@@H]2CN(C(=O)CC(N)=O)C[C@@H]2C1 1055180830 VEEFPHRFMSVYLW-AOOOYVTPSA-N 310.379 -0.965 30 20 DBED N#CCSCC(=O)N1C[C@@H]2CN(C(=O)c3cnon3)C[C@@H]2C1 1055182651 BUIKIXIMINBJSQ-AOOOYVTPSA-N 321.362 -0.143 30 20 DBED C#CCCCCC(=O)N1C[C@H]2CN(C(=O)CC(N)=O)C[C@H]2C1 1055263603 IYARAZQGSGPLNW-BETUJISGSA-N 305.378 -0.028 30 20 DBED N#Cc1cnc(N2C[C@H]3C(NC(=O)Cc4cc[nH]n4)[C@@H]3C2)cn1 1056161235 DSFYVSPSJOTJEA-VXGBXAGGSA-N 309.333 -0.135 30 20 DBED C[C@H](C(=O)N[C@H]1[C@@H]2CN(c3cnc(C#N)cn3)C[C@@H]21)n1cncn1 1056168114 HXJNYDLPUDHMAD-WUWHUORYSA-N 324.348 -0.248 30 20 DBED CN1CC[C@H](C(=O)N2CC[C@@H](Nc3cncc(C#N)n3)C2)C1=O 1056752703 GYGHQGNPKYXXFL-PWSUYJOCSA-N 314.349 -0.161 30 20 DBED N#Cc1ccc(N[C@@H]2CCN(C(=O)c3c[nH]c(=O)cn3)C2)nn1 1056762199 ZNFTVDXMILPNKU-SNVBAGLBSA-N 311.305 -0.242 30 20 DBED CN(c1nccnc1C#N)[C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 1057017702 JEHONZVGCRWGFI-MWLCHTKSSA-N 315.337 -0.933 30 20 DBED COCCCC(=O)NCCN(CCO)C(=O)CSCC#N 1057026801 MCPOANJNAOQFAD-UHFFFAOYSA-N 317.411 -0.393 30 20 DBED N#Cc1nccc(N2CCC(NC(=O)[C@@H]3CNC(=O)N3)CC2)n1 1057934354 YUIVHVQGRGJVJK-JTQLQIEISA-N 315.337 -0.885 30 20 DBED CCN(C)C(C)(C)C(=O)N(CCO)CCNC(=O)[C@H](C)C#N 1057942429 GAPOKQVPVSRNTQ-GFCCVEGCSA-N 312.414 -0.187 30 20 DBED CN1CCOC[C@H]1C(=O)N[C@@H]1CCN(c2ccncc2C#N)C1 1058319066 MFOBJGKYBFFSGW-HIFRSBDPSA-N 315.377 -0.021 30 20 DBED C=C[C@@H](C)[C@@H](C)C(=O)N(CCO)CCNC(=O)c1cnn[nH]1 1058438101 PIACHZYARQMHNN-GHMZBOCLSA-N 309.370 -0.186 30 20 DBED COc1nc(C(=O)NCCN(CCO)C(=O)[C@H](C)C#N)co1 1058661408 VOZWZPUYYGKSFQ-SECBINFHSA-N 310.310 -0.606 30 20 DBED C=CCOCC(=O)N1CC[C@H](CCNC(=O)CC(=O)NC)C1 1059335622 YLZOVJSGESMSBG-LBPRGKRZSA-N 311.382 -0.320 30 20 DBED N#Cc1nccnc1N[C@H]1C[C@@H](NC(=O)[C@H]2CCC(=O)NC2)C1 1059878945 RGJJLXLGYHCEED-GARJFASQSA-N 314.349 -0.066 30 20 DBED N#Cc1nc(=NC[C@@H]2CCN(C(=O)[C@H]3COC(=O)N3)C2)cc[nH]1 1060865142 LKHVFXGAKFPVMX-VHSXEESVSA-N 316.321 -0.861 30 20 DBED CC(=O)NCC(=O)N1CC2(CCN(C(=O)C#CC3CC3)CC2)C1 1060886187 QTJAINUVMZAHAR-UHFFFAOYSA-N 317.389 -0.013 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H]1CCN(C(=O)Cc2nc[nH]n2)C1 1060918237 JYUPLSMLPVXSNQ-LLVKDONJSA-N 311.349 -0.004 30 20 DBED C=CCCC(=O)N1CCOC[C@H]1CNC(=O)[C@@H](C)NC(C)=O 1061241089 OLRCXBWBRMDYHM-DGCLKSJQSA-N 311.382 -0.179 30 20 DBED CC(C)C#CC(=O)NC[C@H]1COCCN1C(=O)CCN(C)C 1061566599 PVAZKPKXXSAJCJ-AWEZNQCLSA-N 309.410 -0.059 30 20 DBED CN(C(=O)[C@@H]1CCC(=O)N1)[C@@H]1CCN(c2ccnc(C#N)n2)C1 1062960349 SIXRJKIQJHRSDY-MNOVXSKESA-N 314.349 -0.336 30 20 DBED CN1CCOC[C@@H]1C(=O)NC1(CNC(=O)C#CC2CC2)CCC1 1062973814 BTCDYPBZYKSYQZ-CQSZACIVSA-N 319.405 -0.115 30 20 DBED C[C@@H]1CN(C(=O)CC(N)=O)CC[C@H]1Nc1cncc(C#N)n1 1063716350 PAQXHLVOFXTKOH-MWLCHTKSSA-N 302.338 -0.127 30 20 DBED N#Cc1nccnc1N1CC[C@@H]2CN(C(=O)CC(N)=O)CC[C@H]21 1064002124 ZSGZXGOAXKIRBV-ZYHUDNBSSA-N 314.349 -0.349 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(C(=O)[C@H]2CCOC2)CCO1 1064935450 RPCMZSRZIXSOJN-UONOGXRCSA-N 324.377 -0.594 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CN(C(=O)c2cn(C)cn2)CCO1 1065046435 QCFPNKAPEYGPEJ-WDEREUQCSA-N 305.338 -0.463 30 20 DBED C#CCO[C@H](C)C(=O)N1CCO[C@H](CNC(=O)CCOC)C1 1065155555 YJXBDPRYQRQHQD-CHWSQXEVSA-N 312.366 -0.595 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2cncn2C)CCO1 1065313341 KLFQWMCYZDPGCC-GFCCVEGCSA-N 322.365 -0.420 30 20 DBED Cc1nc(CC(=O)NC[C@H]2CN(C(=O)[C@H](C)C#N)CCO2)n[nH]1 1065556852 KHLTYCSICUIAQC-KOLCDFICSA-N 320.353 -0.841 30 20 DBED N#Cc1cnc(N2CCOC[C@@H]2CNC(=O)[C@@H]2CCOC2)cn1 1066469326 ASTOSKZEIIYBNI-YPMHNXCESA-N 317.349 -0.294 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](CNC(=O)c3ncccn3)C2)nc1 1067677526 GALMARIGFBFUQK-CHWSQXEVSA-N 324.344 -0.030 30 20 DBED C=CCCC(=O)N1CC2(C[C@H](NC(=O)c3nc[nH]n3)CO2)C1 1068955421 ZJHKANIQGOKXEE-JTQLQIEISA-N 305.338 -0.129 30 20 DBED C=CCN[C@@H]1CN(C(=O)c2n[nH]c(C)c2O)C[C@@H]1n1ccnn1 1070176641 LAFZKVKVBIZUDZ-MNOVXSKESA-N 317.353 -0.143 30 20 DBED C[C@H](C#N)C(=O)N1Cc2ccc(CNC(=O)C(N)=O)cc2C1 1070327386 FKMNZXBKQMDACQ-SECBINFHSA-N 300.318 -0.210 30 20 DBED Cn1cnc([C@@H]2CN(C(=O)CC(C)(C)O)C[C@H]2NCC#N)c1 1070488633 GHXMJDWWCJYPBI-WCQYABFASA-N 305.382 -0.011 30 20 DBED Cn1cncc1[C@@H]1CN(C(=O)C2=COCCO2)C[C@H]1NCC#N 1070617988 JTQZWPXBCLXCMB-VXGBXAGGSA-N 317.349 -0.284 30 20 DBED Cn1cnc(C(=O)N2CCC[C@@H](NC(=O)CSCC#N)C2)n1 1070687464 MSUJFNRJJDLJBI-SNVBAGLBSA-N 322.394 -0.207 30 20 DBED C#CCCN1C[C@H]2C[C@H]3CN(C(=O)c4nnn(C)n4)C[C@@]3(C1)O2 1070839952 OTGQPUXIDIOANF-YWPYICTPSA-N 316.365 -0.851 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)CN2CCOCC2)CC1 1070955142 MMZHGDKNAPPFEV-UHFFFAOYSA-N 324.425 -0.845 30 20 DBED C=CC(C)(C)C(=O)N1CCC(=O)NCCN(CC(N)=O)CC1 1070985541 QPKBRUJXALEZMY-UHFFFAOYSA-N 310.398 -0.666 30 20 DBED C[C@@H]1CN(C(=O)Cn2cncn2)C[C@]2(CCN(CC#N)C2)O1 1071238003 GYAHZJOSXXHGSU-TZMCWYRMSA-N 304.354 -0.507 30 20 DBED CC#CCN1C[C@H](NC(=O)CN2CCC(=O)NC2=O)CC[C@@H]1C 1071972445 VTXYZUFIVSLEEB-QWHCGFSZSA-N 320.393 -0.079 30 20 DBED C=CCN1CCCO[C@H](CNC(=O)[C@@H]2CCS(=O)(=O)N2)C1 1073893674 YVPMJOBTLPWJTR-NEPJUHHUSA-N 317.411 -0.929 30 20 DBED C=CCOCC(=O)N1CC[C@@H](NC(=O)CC(=O)NC)[C@H](C)C1 1073902803 HGOIBMTXDADASV-VXGBXAGGSA-N 311.382 -0.322 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)c3cccn(C)c3=O)C[C@H]21 1074382397 JWMGMATWACMNJO-HUUCEWRRSA-N 315.373 -0.066 30 20 DBED C[C@H](C#N)C(=O)N1CCC(O)(CNC(=O)CCN(C)C)CC1 1074704827 IZFQWZCJUKRXMZ-GFCCVEGCSA-N 310.398 -0.433 30 20 DBED C=CCN1C[C@@H]2CCN(C(=O)CCn3cc[nH]c(=O)c3=O)[C@@H]2C1 1076367043 RPDRDBBLVCITHS-QWHCGFSZSA-N 318.377 -0.355 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)Cc2cnn3c2CCCC3)C1 1077170870 WINLOMOFFYGBCA-UKRRQHHQSA-N 302.378 -0.444 30 20 DBED C[C@@H](CCNC(=O)c1nc2ncccn2n1)NC(=O)[C@@H](C)C#N 1077982091 FUZZTISFHPYXRM-UWVGGRQHSA-N 315.337 -0.091 30 20 DBED C=CCN1CCC2(CC1)CN(C(=O)CC(N)=O)[C@@H]1COC[C@@H]12 1079229472 BUTYBRMVLYAXHT-QWHCGFSZSA-N 307.394 -0.013 30 20 DBED C#CCOCCC(=O)N1CC(N(CC)C(=O)[C@H]2C[C@H]2C(N)=O)C1 1080564399 VHGJFGACRZOJKI-OLZOCXBDSA-N 321.377 -0.793 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2c[nH]nc2C)C[C@H]1O 1081340440 CNOOVXSCTAKPEC-WCQYABFASA-N 322.365 -0.530 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2ncn(C)n2)C1 1081456461 ZPHCCSOJERCPKN-MNOVXSKESA-N 307.354 -0.670 30 20 DBED Cc1c[nH]c(C(=O)N2C[C@@H](O)[C@H](CNC(=O)C#CC(C)C)C2)n1 1081464202 WYQBBVCZJOVVDZ-CHWSQXEVSA-N 318.377 -0.073 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(C(=O)c2cc[nH]n2)C[C@@H]1O 1081468632 MFIAGIMTPONQTJ-YPMHNXCESA-N 302.334 -0.628 30 20 DBED C=CCCOCC(=O)NC[C@H]1CN(C(=O)c2cnco2)C[C@@H]1O 1081569055 KDFWKVCEMVXWSS-RYUDHWBXSA-N 323.349 -0.184 30 20 DBED CC#CCN1C[C@@H](NC(=O)Cn2cccc(C)c2=O)[C@H](OC)C1 1081660238 ZCUXZCAKGUDSIC-HUUCEWRRSA-N 317.389 -0.005 30 20 DBED C=CCCCC(=O)NC[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1O 1081702230 CMRMAZFVZPJPCS-DGCLKSJQSA-N 321.381 -0.280 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@@H]2CCCCN2C(N)=O)[C@H](OC)C1 1082319638 CTQUQEULIRODQY-FRRDWIJNSA-N 308.382 -0.632 30 20 DBED CC#CCN1C[C@@H](NC(=O)c2ccc(C(N)=O)nc2)[C@H](OC)C1 1082395731 OMVCYOPJQMRDSG-ZIAGYGMSSA-N 316.361 -0.367 30 20 DBED C#CCN1CC[C@H]1CN(C)C(=O)[C@H]1CCc2nnc(O)n2C1 1085680899 OVNDBGPLGXLDQO-RYUDHWBXSA-N 303.366 -0.288 30 20 DBED C#CCN1CCC(C(=O)N[C@H]2CCN(CC(N)=O)[C@@H]2CC)CC1 1087840048 FBJCQWINKRCGSV-LSDHHAIUSA-N 320.437 -0.214 30 20 DBED C#CCOc1ncccc1C(=O)N[C@H]1CCN(CC(N)=O)[C@@H]1C 1088989992 ZRBDAZSTFPDSAB-YPMHNXCESA-N 316.361 -0.229 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CN(c2cc(C)ncc2C#N)C[C@H]1O 1090361132 QGBIOZSSKJBFKC-TZMCWYRMSA-N 317.349 -0.937 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2cc(C(N)=O)co2)[C@@H](O)C1 1090566406 LXZXDLJPQPDEOD-NEPJUHHUSA-N 305.334 -0.433 30 20 DBED C#CCN1CC[C@H](NC(=O)C(=O)N2CCC(C)CC2)[C@H](O)C1 1090626328 ANUWBBWXGZSKFM-UONOGXRCSA-N 307.394 -0.571 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cccn3c(O)nnc23)[C@@H](O)C1 1090722555 NRAUVWLDGWDXHE-RYUDHWBXSA-N 315.333 -0.767 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1091118309 HKXOVTQVIKORSI-UHTWSYAYSA-N 317.349 -0.395 30 20 DBED CC[C@@H]1[C@@H](NC(=O)CC(N)=O)CCN1c1nccnc1C#N 1091763589 GXDSODJVBUNUSS-GXSJLCMTSA-N 302.338 -0.303 30 20 DBED N#Cc1cnc(NC2CC(CNC(=O)C3(C(N)=O)CC3)C2)cn1 1092259178 SPTHYEJAUWLTFW-UHFFFAOYSA-N 314.349 -0.080 30 20 DBED CN(C)C(=O)CC(=O)N1CCN(c2ccnc(C#N)n2)CC1 1093200429 LTWJZRJABHPBDI-UHFFFAOYSA-N 302.338 -0.525 30 20 DBED Cc1cc(N2C[C@H]3C(NC(=O)CNC(N)=O)[C@@H]3C2)c(C#N)cn1 1093210949 RDCIXMXEEBBYHU-GHMZBOCLSA-N 314.349 -0.519 30 20 DBED C#CCOCCC(=O)N[C@H]1[C@@H]2CN(c3cnc(C#N)cn3)C[C@@H]21 1093312114 UHDGLTSHHWGRFN-VIKVFOODSA-N 311.345 -0.061 30 20 DBED CN(C)C(=O)CC(=O)NC1[C@@H]2CN(c3ccc(C#N)nn3)C[C@@H]12 1093358062 NPDDLZHLNIAWMA-GHMZBOCLSA-N 314.349 -0.623 30 20 DBED Cc1cc(=NCCNC(=O)[C@@H]2CCS(=O)(=O)C2)c(C#N)c[nH]1 1093978944 SPMYVAUXPBRYNF-LLVKDONJSA-N 322.390 -0.354 30 20 DBED CCc1nc(C#N)cc(NCCNC(=O)[C@H]2CNC(=O)N2)n1 1094104451 MRXCPCGODJOICW-SECBINFHSA-N 303.326 -0.880 30 20 DBED C[C@@]1(C(=O)NCCCNc2cnc(C#N)cn2)CNC(=O)C1 1094670226 CUBHCESTQLKETC-AWEZNQCLSA-N 302.338 -0.207 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)c3ccnc(O)c3)CC2=O)C1 1094721509 CDFAILUQPYZWIR-LBPRGKRZSA-N 316.361 -0.012 30 20 DBED C=C(C)CN1CC(N2C[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)CC2=O)C1 1094786787 BGYOKFLEUPADPT-RTXFEEFZSA-N 320.393 -0.915 30 20 DBED C[C@H](NC(N)=O)C(=O)N1CCCN(c2cncc(C#N)n2)CC1 1095174426 LTVAKTHCALJRPP-JTQLQIEISA-N 317.353 -0.556 30 20 DBED C[C@H](NC(N)=O)C(=O)NCCCN(C)c1ccc(C#N)cn1 1095534387 MDBRAOGXIIEXJP-JTQLQIEISA-N 304.354 -0.047 30 20 DBED C#CCCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1nccnc1C(N)=O 1096509830 ONFHEXDWZQXSLF-WOPDTQHZSA-N 313.361 -0.066 30 20 DBED C[C@H](CNC(=O)CCn1ccnn1)N=c1cc[nH]c(C#N)n1 1097779061 FEQXSMUIJWSHJQ-SNVBAGLBSA-N 300.326 -0.631 30 20 DBED CCc1nc(C#N)cc(N[C@H](C)CNC(=O)[C@@H]2CCNC2=O)n1 1098212329 ZTHSDCGDCOQVKB-MWLCHTKSSA-N 316.365 -0.037 30 20 DBED CC#CCN1C[C@H](NC(=O)CNC(N)=O)CC2(CCOCC2)C1 1099562355 VSKRATASORWCHA-CYBMUJFWSA-N 322.409 -0.335 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)CC(F)(F)F)[C@H](O)C1 1099712915 RDGHFANBEJPNSL-NXEZZACHSA-N 321.299 -0.760 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)Cc2cnn(C)c2)[C@@H](O)C1 1099713408 WEPYESGHFNDAOX-GJZGRUSLSA-N 322.409 -0.283 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CCN(CCOCCO)C[C@@H]2O)c1 1099757852 KORQEOBRGCMFTA-OCCSQVGLSA-N 322.365 -0.940 30 20 DBED C#CCCCC(=O)N[C@H]1CCN(CCN2CCNC2=O)C[C@H]1O 1099804918 UIGZBIZMSUDVGN-UONOGXRCSA-N 322.409 -0.634 30 20 DBED C=CCCCN1CC[C@H](NC(=O)CCNC(=O)NC)[C@@H](O)C1 1099813073 JNUVJLOGCHWHAG-STQMWFEESA-N 312.414 -0.177 30 20 DBED C=CCN1CC[C@@H](NC(=O)CNC(=O)c2cccnc2)[C@@H](O)C1 1100010498 IEKGAAFOPQZRRP-KGLIPLIRSA-N 318.377 -0.451 30 20 DBED C#CCN1CC[C@@H](NC(=O)CS(=O)(=O)CCCC)[C@@H](O)C1 1100129873 UJDYDSFWJGJYSR-OLZOCXBDSA-N 316.423 -0.614 30 20 DBED C=CCNC(=O)[C@@H](C)NC1CC(CNC(=O)CNC(=O)CC)C1 1100191416 JPXGRXPVMDBOBT-PNESKVBLSA-N 324.425 -0.312 30 20 DBED CCC[C@H](C(=O)NCC1CC(NCC#N)C1)S(N)(=O)=O 1100536426 ZEBMNIZKAXKGCR-VQXHTEKXSA-N 302.400 -0.548 30 20 DBED CCN(CCNC(=O)[C@H]1C[C@H]1C(N)=O)c1nccnc1C#N 1100719603 GWLBFYLQSGNCFP-ZJUUUORDSA-N 302.338 -0.588 30 20 DBED CN(CCNc1ccc(C#N)nn1)C(=O)c1ccc(=O)n(C)n1 1101613338 UFHGHBIRYICDKL-UHFFFAOYSA-N 313.321 -0.374 30 20 DBED N#Cc1cnc(N2CC[C@H](CCNC(=O)C(N)=O)C2)c(F)c1 1102387748 ZKZBRJXJUMHPPN-VIFPVBQESA-N 305.313 -0.090 30 20 DBED CN(C(=O)CCNC(N)=O)[C@H]1CCN(c2ccc(C#N)nn2)C1 1102710142 WAUSTFTZMQCJSG-NSHDSACASA-N 317.353 -0.556 30 20 DBED CC[C@@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)Nc1cnc(C#N)cn1 1103261301 MLVCAELIFIKCFV-ONGXEEELSA-N 317.353 -0.321 30 20 DBED C[C@@H]1CN(C(=O)C(F)F)C[C@H]1CCNCC(=O)NCC#N 1103804927 LDYKNUWNDKSPHP-NXEZZACHSA-N 302.325 -0.035 30 20 DBED C[C@@H](CNC(=O)C[C@@H](C)NC(N)=O)CNc1nccnc1C#N 1104099364 MAUVCTBZTBJYMC-VHSXEESVSA-N 319.369 -0.041 30 20 DBED Cc1cc(C#N)nc(NC[C@H](C)N(C)C(=O)[C@H](C)NC(N)=O)n1 1104535569 WITFPVBAHIJJAU-UWVGGRQHSA-N 319.369 -0.028 30 20 DBED C#CCNCc1cn(C2CN(C(=O)c3oncc3C)C2)nn1 1105356417 PVWGTZQVUNVBSL-UHFFFAOYSA-N 300.322 -0.006 30 20 DBED CN(CCN(C)c1ccc(C#N)nn1)C(=O)[C@@]1(C)CNC(=O)C1 1105510733 OUFWEVKXUTXHFD-OAHLLOKOSA-N 316.365 -0.231 30 20 DBED CC(=O)N1CC(C(=O)NC[C@H](O)CNc2ncccc2C#N)C1 1105795618 FJAMGIMVINAPGM-CYBMUJFWSA-N 317.349 -0.679 30 20 DBED Cn1cncc1CC(=O)NC[C@@H](O)CNc1cncc(C#N)n1 1105913915 LTKOUHDMAXHYTA-LBPRGKRZSA-N 315.337 -0.787 30 20 DBED C=C(C)CCC(=O)NC[C@@H](O)CNc1ccc2nnnn2n1 1105986030 AHUGWGQKIDJZGL-JTQLQIEISA-N 305.342 -0.235 30 20 DBED N#Cc1nc(=NC[C@H](O)CNC(=O)[C@H]2CCC2(F)F)cc[nH]1 1106009908 JMEHFUTXVITSSN-DTWKUNHWSA-N 311.292 -0.296 30 20 DBED C[C@@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)C(C)(C)C(N)=O 1106470207 BUKSLFQZGZUHHZ-VIFPVBQESA-N 304.354 -0.412 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)[C@H](C)NS(C)(=O)=O)C[C@H]1C 1106702000 QQWKQGJLYMKPLO-FRRDWIJNSA-N 315.439 -0.369 30 20 DBED N#Cc1cncc(NC/C=C\CNC(=O)[C@H]2C[C@H]2C(N)=O)n1 1107517741 ZKGHSDXOWNUBBR-OVVPUXAQSA-N 300.322 -0.446 30 20 DBED C[C@H](CN=c1cc[nH]cc1C#N)NC(=O)[C@H]1COCCN1C 1107694281 LLWZOZOQIINNFM-BXUZGUMPSA-N 303.366 -0.378 30 20 DBED C=CCN1CCO[C@@](C)(CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 1108210776 GDWVAKYYPJRXCD-ZOWXZIJZSA-N 311.382 -0.588 30 20 DBED C=C(C)CN1CC(N2C[C@@H](NC(=O)CCN(C)C)CC2=O)C1 1108567747 AKUDLBNEVCUXMY-ZDUSSCGKSA-N 308.426 -0.085 30 20 DBED CCC(=O)N[C@@H](C)C(=O)N(C)CCCN=c1cc[nH]c(C#N)n1 1109650770 SWMCIZZFCLOFGU-NSHDSACASA-N 318.381 -0.055 30 20 DBED N#Cc1cnc(NC2(CNC(=O)[C@H]3CNC(=O)N3)CC2)c(F)c1 1110324210 CTPBBJPKKOXCJE-SNVBAGLBSA-N 318.312 -0.166 30 20 DBED CO[C@H](C)CC(=O)N(C)[C@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1111175530 JPZKEDWXNLWEKK-WXHSDQCUSA-N 319.365 -0.219 30 20 DBED N#Cc1cnc(NCCN(CCO)C(=O)c2cncnc2)cn1 1111465727 LQSVIWMTCFXUKR-UHFFFAOYSA-N 313.321 -0.315 30 20 DBED CCN(C)CCC(=O)N(CCO)CCNc1nccnc1C#N 1111507340 XGZBRCKOPOBICV-UHFFFAOYSA-N 320.397 -0.077 30 20 DBED COC[C@@H](C)C(=O)NC[C@@H]1COCCN1c1ccnc(C#N)n1 1111666015 UDQVWMNDIJSODW-VXGBXAGGSA-N 319.365 -0.048 30 20 DBED CC(=O)NCC(=O)N[C@H]1CCN(c2ccc(C#N)nn2)[C@H](C)C1 1112468162 YUCMQJFNXYMTKL-PWSUYJOCSA-N 316.365 -0.042 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)CN(C)C(C)=O)CC1 1112627562 OEWTWCZNMWZLOZ-LBPRGKRZSA-N 310.398 -0.700 30 20 DBED N#Cc1c(F)cccc1N1C[C@H](O)[C@H](CNC(=O)CC(N)=O)C1 1112723585 YADXMDOUOANNHG-RNCFNFMXSA-N 320.324 -0.514 30 20 DBED CC(C)C#CC(=O)N1CCN(CC(=O)NC[C@H]2CCOC2)CC1 1112834261 FWYLFCODDIDOTP-OAHLLOKOSA-N 321.421 -0.057 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)CO[C@@H]2CCOC2)CC1 1112847974 DFAOYWNBSQWQAQ-UONOGXRCSA-N 323.393 -0.926 30 20 DBED CCN1CCCC[C@@H]1C(=O)N1CCN(CC(=O)NCC#N)CC1 1113687851 PEAKCFVRGWXGLE-CQSZACIVSA-N 321.425 -0.355 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)Cn3cccn3)[C@@H]2C1 1113857313 KRSSUNQVKOEXNI-VXGBXAGGSA-N 303.366 -0.768 30 20 DBED N#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)C[C@@H]3CCOC3)[C@H]2C1 1114089039 ZDCDDGXAXJTZIY-UUIJZJDISA-N 306.366 -0.901 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)Cc3ccn(C)n3)[C@H]2C1 1114244391 AVNYWDALINHNBF-VIKVFOODSA-N 317.393 -0.689 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)c3ccncn3)[C@@H]2C1 1114992644 YEYFWTOPIALQAX-QJPTWQEYSA-N 313.361 -0.726 30 20 DBED C#CCN1C[C@@H]2C(NC(=O)CCC(=O)N3CCOCC3)[C@H]2C1 1115208977 NMWQWXYVJBLTOW-STQMWFEESA-N 305.378 -0.695 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)CN(C)C(C)C)[C@H]2C1 1115301871 JETLYVCKNWMXQR-STQMWFEESA-N 308.426 -0.325 30 20 DBED CC(=O)NCC(=O)NC[C@@H](CO)Nc1nc(C)ccc1C#N 1121129547 TVCSHJSBCUTDJX-LBPRGKRZSA-N 305.338 -0.713 30 20 DBED CS[C@H](C)CC(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1 1121346117 LKRRXHGFWMIHKM-NXEZZACHSA-N 309.395 -0.199 30 20 DBED C#CCNCC(=O)N1CCN(CC(=O)N2CCCCC2)CC1 1121981993 QLNRUJNXMZBEMN-UHFFFAOYSA-N 306.410 -0.634 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)CC(F)(F)F 1124134194 GYMHAMQTMAWGGJ-MRVPVSSYSA-N 317.271 -0.046 30 20 DBED COC[C@H](C)C(=O)N(C)C[C@H](O)CNc1cnc(C#N)cn1 1124195823 BQSWLXWVHYHTGD-CMPLNLGQSA-N 307.354 -0.138 30 20 DBED Cc1cc(=NC[C@@H](O)CN(C)C(=O)c2nc[nH]n2)c(C#N)c[nH]1 1124459980 GHTMFMGZGFTRAC-LLVKDONJSA-N 315.337 -0.653 30 20 DBED CN(C[C@@H](O)CNc1ccc(C#N)cn1)C(=O)C(C)(C)C(N)=O 1124554658 PLEIKWDIMMIDME-NSHDSACASA-N 319.365 -0.304 30 20 DBED C#CCC1(C(=O)NCCN[C@@H](C)c2nnnn2C)CCOCC1 1129117143 UFNMRLKAOMHSRT-LBPRGKRZSA-N 320.397 -0.203 30 20 DBED N#CCN1CC[C@@H](c2n[nH]cc2CNC(=O)Cn2ncnn2)C1 1130389522 UJYNQLJTUIAPIK-SNVBAGLBSA-N 315.341 -0.975 30 20 DBED N#CCN1CC[C@@H](c2n[nH]cc2CNC(=O)Cn2cncn2)C1 1130446837 SDOLDGULYFYYEA-LLVKDONJSA-N 314.353 -0.370 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1cnn(C)c1CCC 1130779325 BSSMXDKTNBQPNV-GFCCVEGCSA-N 319.409 -0.170 30 20 DBED CCC(=O)NCc1nc([C@@H]2COCCN2CC#CCOC)n[nH]1 1130825888 NPDSHVFPHQSMHB-LBPRGKRZSA-N 321.381 -0.146 30 20 DBED C=CCNC(=O)CNCCNC(=O)Cc1cc(CC)nn1C 1131597969 ZEUNLWNJGOHEPN-UHFFFAOYSA-N 307.398 -0.467 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H](C)O[C@]2(CCN(CC#N)C2)C1 1131652549 KEGBFAKUQQAXOI-BBRMVZONSA-N 318.377 -0.659 30 20 DBED CN1C[C@H](C(=O)NCCNCc2ccc(C#N)cc2)NC1=O 1132387304 QYDUJYOHBLSJEO-CYBMUJFWSA-N 301.350 -0.212 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1ccc(C(N)=O)s1 1135277076 UUVKMTZEPDRKFO-UHFFFAOYSA-N 310.379 -0.531 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)c1cccnn1 1135739753 RYWKPVVRUZPNLF-NWDGAFQWSA-N 303.366 -0.288 30 20 DBED C[C@@H](C[C@@H](C)NCC#N)NC(=O)c1cn(CC(=O)N(C)C)nn1 1146583570 MQMYZVYBHLBXPN-MNOVXSKESA-N 321.385 -0.624 30 20 DBED C=C(Cl)CN1CCCO[C@H](CNC(=O)CS(C)(=O)=O)C1 1149303386 VORULXAOYKTZED-LLVKDONJSA-N 324.830 -0.009 30 20 DBED C=CCO[C@@H](C)C(=O)NCCNCC(=O)NC(=O)NC1CC1 1153135217 NXJQBXQPLHXXDW-JTQLQIEISA-N 312.370 -0.729 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1ncc(C)cc1OC 1160114343 ODHCSQYNMGTUNT-UHFFFAOYSA-N 318.377 -0.142 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@@H]1CCCN(C(C)=O)C1 1162053887 IBJRSPNIANPQCP-CQSZACIVSA-N 324.425 -0.357 30 20 DBED C#CCN1CCC(CNC(=O)[C@@]2(C)CCNC2=O)(COC)CC1 1162482272 MKVWPSDMBXAHQD-INIZCTEOSA-N 321.421 -0.009 30 20 DBED CC(=O)NCC(C)(C)C(=O)N1CC[C@@H]2OCCN(CC#N)[C@@H]2C1 1177107285 PPRXWCVMWMEQPQ-KGLIPLIRSA-N 322.409 -0.026 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)c2cnsn2)[C@H]1C 1178201101 ZMMPANQWBVBGSS-DCAQKATOSA-N 321.406 -0.131 30 20 DBED N#CCNC(=O)CN[C@@H]1CCN(C(=O)C2(C(F)F)CC2)C1 1182552980 IGQKMZAYNFOCSX-SECBINFHSA-N 300.309 -0.138 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2cc(C)nnc2C)C1 1182873426 FJSCHKOHJURCNV-CYBMUJFWSA-N 315.377 -0.353 30 20 DBED C[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)CC[C@@H]1CNCC#N 1185328199 VZXTYMHVDLLEJT-GHMZBOCLSA-N 307.354 -0.864 30 20 DBED CCn1nc(C)c(C(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)n1 1188438665 RVIAXKVZMJMHII-LLVKDONJSA-N 319.369 -0.950 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)[C@H](OC)C2CC2)C1 1189909078 AOOAGYFUYSNWCR-UKRRQHHQSA-N 307.394 -0.307 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2ccncc2F)C1 1191952001 KCXJROZYFDSQSZ-CHWSQXEVSA-N 322.340 -0.702 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)C=C2CCC2)C1 1192136547 KLNNNUJWXGPHQO-MRVWCRGKSA-N 307.394 -0.051 30 20 DBED COCC#CCN(C)[C@@H]1CCN(C(=O)CCN2CCOCC2)C1 1192848388 WAMFGLQRXKRFLV-MRXNPFEDSA-N 323.437 -0.109 30 20 DBED N#CCNC(=O)CN1CCCN(C(=O)c2ncccn2)CC1 1197519155 GRTHIDWJMRUOGZ-UHFFFAOYSA-N 302.338 -0.736 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)CNC(=O)c2ccccc2)C1 1198061411 DKXWQVHLYDCHSW-ZIAGYGMSSA-N 301.346 -0.789 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H](CC)N2CCCC2=O)C1 1198834404 IMVBNEAEPMZVMD-MGPQQGTHSA-N 307.394 -0.428 30 20 DBED C=CCNC(=O)[C@H](C)NC1CCN(C(=O)CN(C)C(C)=O)CC1 1199415005 VIKGATNUHCUJHO-LBPRGKRZSA-N 324.425 -0.264 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@H](CCC(C)C)NC(C)=O)C1 1199560122 ORJNGMUBLOUHKP-RRFJBIMHSA-N 309.410 -0.278 30 20 DBED CC1(C(=O)N2CCCO[C@H](CNCC(=O)NCC#N)C2)CC1 1200561479 DXFANEKXYADRQP-GFCCVEGCSA-N 308.382 -0.367 30 20 DBED C#CCCNC1CCN(C(=O)CCNS(C)(=O)=O)CC1 1200859073 JJUJAPLHNNUHMZ-UHFFFAOYSA-N 301.412 -0.470 30 20 DBED CC[C@@H](F)C(=O)N1CCCO[C@@H](CNCC(=O)NCC#N)C1 1201146665 HZFFUHSXVJQWKS-NWDGAFQWSA-N 314.361 -0.419 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)COCCC)CC1 1204699379 LVZDDXJURMDWMM-UHFFFAOYSA-N 309.410 -0.009 30 20 DBED C=CCNCC1CCN(C(=O)CN2CC(=O)N(C)C2=O)CC1 1206869119 SSNIVEIBAJDPNP-UHFFFAOYSA-N 308.382 -0.105 30 20 DBED C=CCOCC(=O)N1CCC[C@H](NCCN2C(=O)CCC2=O)C1 1207680074 IQIRXIMAUMGOPL-ZDUSSCGKSA-N 323.393 -0.081 30 20 DBED COCC#CCN1C[C@@H](NC(=O)[C@@]2(C)CCNC(=O)C2)[C@H](C)C1 1207686820 OSCXJAXVYJLVHO-CPUCHLNUSA-N 321.421 -0.011 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@@H](NCC(=O)N(C)CC)C1 1207870162 RCXVGZBWMOTAIC-CYBMUJFWSA-N 322.409 -0.815 30 20 DBED CCS(=O)(=O)N(C)CC(=O)N1CCC[C@H](NCC#N)C1 1210416271 CSALWBUDFNAGAN-NSHDSACASA-N 302.400 -0.628 30 20 DBED N#CCN[C@@H]1CCCN(C(=O)CCCN2C(=O)CNC2=O)C1 1211013876 FGDGEHHWNGLMDT-LLVKDONJSA-N 307.354 -0.577 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)CN(C)C(C)C)[C@H](C)C1 1211367614 XOCOKWFWEBCCIV-QLFBSQMISA-N 322.453 -0.099 30 20 DBED C#CCN1C[C@@H](NC(=O)C(=O)Nc2cc(C)on2)[C@H](OC)C1 1213857194 HTGHSQRQUOUPFH-GHMZBOCLSA-N 306.322 -0.630 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)C[C@@H]2CCC(=O)NC2)C[C@H]1C 1214840321 CGZRGJRISPTCRI-QLFBSQMISA-N 321.421 -0.011 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2[nH]cnc2C)C[C@H]1C 1217100404 ZDIROQJEGWRTBI-RAIGVLPGSA-N 317.393 -0.094 30 20 DBED C=CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CS(=O)(=O)CCC 1219039690 WNOXAOLUTNIKFD-QWHCGFSZSA-N 316.423 -0.091 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(CCN2CCCC2=O)C[C@@H]1O 1219524048 YIWSEHQGRQACCT-KGLIPLIRSA-N 307.394 -0.426 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(Cc2ncnn2CC)C[C@@H]1O 1219532434 ZEHYTNFOWHYFOA-OLZOCXBDSA-N 305.382 -0.237 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)CO[C@H]2CCOC2)C1 1219618279 BLTQFMXHIQRBFW-TUAOUCFPSA-N 304.774 -0.294 30 20 DBED CN1CC(=O)N(CC(=O)NCC2CCN(CC#N)CC2)C1=O 1225372764 YSIRYPOEPWXYRB-UHFFFAOYSA-N 307.354 -0.768 30 20 DBED C=CCOCC(=O)NC1CCN([C@H](C)C(=O)NC(N)=O)CC1 1226570445 CLJFZXHLCUGPOF-SNVBAGLBSA-N 312.370 -0.647 30 20 DBED Cn1cnc(C(=O)NC2CCN(CC(=O)NCC#N)CC2)c1 1226851900 QUAYOAJIBGOZAG-UHFFFAOYSA-N 304.354 -0.746 30 20 DBED C#CCNC(=O)CC(=O)N(C)C[C@@H]1CCN1Cc1cnns1 1233810987 SUTSEGVWTJOTLA-NSHDSACASA-N 321.406 -0.290 30 20 DBED C#CCOCCC(=O)N(C)C[C@@H]1CCN1Cc1ncnn1C 1234254835 DVPRHPNDZCRMIP-ZDUSSCGKSA-N 305.382 -0.112 30 20 DBED CC[C@H](C(=O)N(C)C[C@@H](O)CNC(=O)C#CC(C)C)N(C)C 1288094123 GQZMSSJQRPGBNM-UONOGXRCSA-N 311.426 -0.079 30 20 DBED COCCCN1CCC(NC(=O)Cn2cnc(C#N)n2)CC1 1319262504 MXKQKBGXNREBRO-UHFFFAOYSA-N 306.370 -0.233 30 20 DBED C#CCNC(=O)C1CCN(C(=O)c2c[nH]c(C(N)=O)c2)CC1 1321309694 HRRDXOHFKIJWOW-UHFFFAOYSA-N 302.334 -0.285 30 20 DBED CN(CCNS(C)(=O)=O)C(=O)C(=O)Nc1ccc(C#N)cc1 1321816095 ZQEXDXZRQBZDEQ-UHFFFAOYSA-N 324.362 -0.496 30 20 DBED C#C[C@@H](NC(=O)C(=O)NC1CCN(CC#N)CC1)[C@H]1CCCO1 1322563233 RKHYTQXKTUADFV-ZIAGYGMSSA-N 318.377 -0.612 30 20 DBED C=CCN1CCC(NC(=O)C(=O)N(C)CCOCCO)CC1 1322606761 JGNGXSLEBUPXBN-UHFFFAOYSA-N 313.398 -0.780 30 20 DBED N#CCNC(=O)CNC(=O)Nc1ccnn1C[C@H]1CCOC1 1324682286 JDANMGABJLWSHT-SNVBAGLBSA-N 306.326 -0.319 30 20 DBED Cn1cc(N2CC[C@@H](NC(=O)C(=O)NCCCC#N)C2)cn1 1324933848 ZJWTUSZNEWWTCL-LLVKDONJSA-N 304.354 -0.465 30 20 DBED C=CCS(=O)(=O)CCNC(=O)NC[C@@H](O)c1cnn(C)c1 1325186765 BNVASZBCTLGRKX-LLVKDONJSA-N 316.383 -0.647 30 20 DBED C=CCOCCNC(=O)C(=O)N1CCO[C@H](COC(C)C)C1 1327424360 DJMWXIBWAYZDDU-ZDUSSCGKSA-N 314.382 -0.042 30 20 DBED C=C(CC)CNC(=O)C(=O)NCCS(=O)(=O)NC(C)(C)C 1328810011 RELCJCQXKXNMHZ-UHFFFAOYSA-N 319.427 -0.097 30 20 DBED CO[C@H](C=NN1C(=O)[C@@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C1=O)[C@@H]1CCOC1 1329731338 LRWZIMCUIBUBPZ-GRRRKWKPSA-N 306.318 -0.038 30 20 DBED C[C@H](O)CCN(C)C(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1332019821 SZHHBIWFFSGIEG-AAEUAGOBSA-N 308.382 -0.586 30 20 DBED C=CCNC(=O)Cn1nnnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1334104216 VBBJFOPXQOQVMN-PWSUYJOCSA-N 306.370 -0.021 30 20 DBED C=CCS(=O)(=O)CCn1nnnc1N1CC[C@@H](COC)C1 1334300665 VAEFVVYUALHMCN-LLVKDONJSA-N 315.399 -0.253 30 20 DBED C#CCNCC(=O)NCc1cccc(C(=O)NCCN(C)C)c1 1340060190 AFMYGVJUBKFVRY-UHFFFAOYSA-N 316.405 -0.183 30 20 DBED C=CCn1c([C@@H](O)COC)nnc1N(C)C[C@H]1COCCO1 1340658084 GWLDOGLKERCZGV-RYUDHWBXSA-N 312.370 -0.005 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)NCc1cccnc1 1343285297 OCKLJPWHSATOBO-UHFFFAOYSA-N 311.363 -0.585 30 20 DBED C[C@H](C(=O)N1CCC(S(C)(=O)=O)CC1)n1cnc(C#N)n1 1362064553 HBXWADRKTBMFRS-SECBINFHSA-N 311.367 -0.254 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CCN(C(=O)c2cnc(O)n2C)C1 1373168732 KHNSAMAAOBIUCW-ZJUUUORDSA-N 305.338 -0.136 30 20 DBED C[C@@H](C#N)C(=O)NCc1ccc(CNCC(=O)NC(N)=O)cc1 1373930260 QMOMJZANOMSOTQ-JTQLQIEISA-N 317.349 -0.253 30 20 DBED C=C(Cl)CN(C)CCN(C)C(=O)Cn1ncn(C)c1=O 1374509283 JTVOBECVIGHVOI-UHFFFAOYSA-N 301.778 -0.276 30 20 DBED CC(C)N(C(=O)CNC[C@@H](O)CNC(=O)[C@@H](C)C#N)C(C)C 1379189826 OPFGUDQTVJEFOB-QWHCGFSZSA-N 312.414 -0.142 30 20 DBED CCS(=O)(=O)CC(=O)NC[C@H](C)N(C)C(=O)[C@@H](C)C#N 1380767387 MEDLEBSLFNMKOJ-UWVGGRQHSA-N 303.384 -0.456 30 20 DBED CC(=O)N1CC(C(=O)NC[C@@H](C)NC(=O)c2ccc(C#N)[nH]2)C1 1386242171 YGKUMQFVRHOVPO-SECBINFHSA-N 317.349 -0.401 30 20 DBED CCCn1cc(C(=O)NC[C@@H](O)CNC(=O)[C@@H](C)C#N)cn1 1389112754 MNOOOHIKKVQMGR-JQWIXIFHSA-N 307.354 -0.340 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C(=O)[C@@H](NC(N)=O)C(C)(C)C)CC1 1396731218 ITTULAQIPCRAGK-GHMZBOCLSA-N 323.397 -0.100 30 20 DBED CCCc1nc(C(=O)NC[C@@H](O)CNC(=O)[C@@H](C)C#N)co1 1399863937 IHQGPPFEZQQRMK-UWVGGRQHSA-N 308.338 -0.006 30 20 DBED CC(=O)N1CC[C@@](C)(C(=O)NCCN(C)C(=O)[C@H](C)C#N)C1 1415619713 QQAXJSXVGLBVSS-IAQYHMDHSA-N 308.382 -0.021 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H]1CNC(=O)CS(C)(=O)=O 1416408710 MONLKTKMAZZXCQ-NXEZZACHSA-N 301.368 -0.702 30 20 DBED CC(C)[C@H](CNC(=O)c1cn(C)c(=O)n1C)NC(=O)[C@@H](C)C#N 1416595131 OVOVLJRVSFQIGY-QWRGUYRKSA-N 321.381 -0.246 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N[C@H](CO)C[C@H]1CCCO1 1434617793 MOEYZRUVTLSDRO-GRYCIOLGSA-N 305.400 -0.158 30 20 DBED COCC(=O)NCCC(=O)N1CC[C@@H](NC(=O)[C@@H](C)C#N)C1 1447022758 FXKKPADUSLALGU-WDEREUQCSA-N 310.354 -0.984 30 20 DBED C=CCCCNC[C@H]1CCCN1C(=O)Cn1cnc(C(N)=O)n1 1482055884 LZAUQDSBHLNQGF-GFCCVEGCSA-N 320.397 -0.076 30 20 DBED CC(=O)NCC(=O)N(C)C[C@H](O)CNCc1cccc(C#N)c1 1486256503 FOBGBRSQXFLIMM-OAHLLOKOSA-N 318.377 -0.397 30 20 DBED CN(CCNC(=O)CCc1nc[nH]n1)C(=O)c1ccc(C#N)[nH]1 1528019074 ORYDPRSVNOSUCB-UHFFFAOYSA-N 315.337 -0.175 30 20 DBED CC#CCN(Cc1cnn[nH]1)C(=O)CN(C)S(=O)(=O)CC 1575119265 YJSRITDQTQNDQE-UHFFFAOYSA-N 313.383 -0.562 30 20 DBED CC(C)C#CC(=O)NC[C@H](C)NC(=O)CCOCc1cnn[nH]1 1575318736 PTPUEINKDNQOBF-LBPRGKRZSA-N 321.381 -0.008 30 20 DBED C#C[C@H](CO)NS(=O)(=O)c1ccc(F)c(-c2nn[nH]n2)c1 1588327964 VUANHHGHGGYVRJ-SSDOTTSWSA-N 311.298 -0.722 30 20 DBED C=CCC1(O)CN(C(=O)[C@@H](C)n2cnc(-c3nn[nH]n3)n2)C1 1588560458 QXKZSYYABHXQFH-MRVPVSSYSA-N 304.314 -0.831 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C)/C=C\C(=O)O)C1=O 1588832428 NOKMSRGBAGXIKM-LGYSABEFSA-N 309.278 -0.891 30 20 DBED CC(C)CN(CC(=O)O)S(=O)(=O)N1CCO[C@@H](C#N)C1 1591303272 PEANDHQKAKDJPP-JTQLQIEISA-N 305.356 -0.502 30 20 DBED N#CCC1(CNC(=O)NCCn2cnc(-c3nn[nH]n3)n2)CC1 1592675500 PZAXETXMOFYBJG-UHFFFAOYSA-N 316.329 -0.549 30 20 DBED N#CCN1CCO[C@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1592677762 JGUWPNJCVLKRAT-SECBINFHSA-N 316.325 -0.851 30 20 DBED N#Cc1ncn(CCNC(=O)[C@@H]2CO[C@H](CCC(=O)O)C2)n1 1594635786 VEQGDSKXBRYNNC-VHSXEESVSA-N 307.310 -0.464 30 20 DBED CO[C@@H](CS(=O)(=O)N(CC#N)CC(=O)O)[C@@H]1CCOC1 1599058813 LWKBEKMLYRNPGJ-ZJUUUORDSA-N 306.340 -0.722 30 20 DBED N#CC1(CS(=O)(=O)N2CCNC(=O)[C@H]2CC(=O)O)CCC1 1601058709 XSTCGMYIHFDIPH-SECBINFHSA-N 315.351 -0.715 30 20 DBED N#CCN(CC(=O)O)S(=O)(=O)c1cc(Cl)cnc1N 1601072776 WYBZZONNJLBQIL-UHFFFAOYSA-N 304.715 -0.084 30 20 DBED C=CCS(=O)(=O)NC(=O)c1ncc(-c2nn[nH]n2)cc1C 1602870888 OPTLXVUJNLMFSJ-UHFFFAOYSA-N 308.323 -0.184 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N1CCN(C)C[C@H](C(=O)O)C1 1603130721 ZRVDOPKWCXFPPP-MNOVXSKESA-N 318.399 -0.729 30 20 DBED N#CCN1CCN(C(=O)Cn2cccc(C(=O)O)c2=O)CC1 1608188002 JWQRSVSOURPWEZ-UHFFFAOYSA-N 304.306 -0.786 30 20 DBED Cc1onc(CC(=O)N2CCC[C@H](S(N)(=O)=O)C2)c1C#N 1647132798 MVSHZBXRSUWMRI-VIFPVBQESA-N 312.351 -0.323 30 20 DBED C=CCNC(=O)[C@H](C)N1CC[C@@H](NC(=O)CN(C)C(C)=O)C1 1732153528 XWFSMQJCXVAIKV-WCQYABFASA-N 310.398 -0.654 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H](CN(C)CC(=O)NCC#N)C1 1752503412 JLZWMIVUBOCESJ-STQMWFEESA-N 305.382 -0.044 30 20 DBED N#CCNC(=O)CNC[C@@H]1CCCN(C(=O)C2CCOCC2)C1 1752792545 OBBYWLZMIKWQCO-ZDUSSCGKSA-N 322.409 -0.119 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)CCNC(=O)C[C@H]1CCCC(=O)N1 1753054230 GGZLAKBBNYBQOF-CHWSQXEVSA-N 322.409 -0.769 30 20 DBED C#CCNC(=O)CN(C)CCNC(=O)C[C@H](C)c1cnn(C)c1 1753057907 GRVXNTAJRFSBOC-ZDUSSCGKSA-N 319.409 -0.289 30 20 DBED C=CCNC(=O)NC(=O)CN1CC(CNC(=O)C#CC2CC2)C1 1753401758 QKBFOVDTFVNSGB-UHFFFAOYSA-N 318.377 -0.540 30 20 DBED C#CCCN[C@@H](CC)CNC(=O)CN1CCS(=O)(=O)CC1 1753495321 RJNHDHBSJUUBLC-ZDUSSCGKSA-N 315.439 -0.776 30 20 DBED C#CCOCCC(=O)N(C)[C@H](C)CN[C@@H](C)C(=O)NC(N)=O 1753690283 VGOVIJVBDNESEA-MNOVXSKESA-N 312.370 -0.954 30 20 DBED C#CCNC(=O)CN(C)C[C@H](C)NC(=O)C[C@@H]1CCCC(=O)N1 1754316582 WESZDQLXLCKYII-STQMWFEESA-N 322.409 -0.769 30 20 DBED C#CCCCCC(=O)NCC1(O)CN(Cc2cnn(C)n2)C1 1754773924 HBEMEZUUJMIBNF-UHFFFAOYSA-N 305.382 -0.328 30 20 DBED C#CCCN1CC(O)(CNC(=O)[C@@H]2CCN(C(=O)CC)C2)C1 1754777253 LUVGECHGESXATQ-CYBMUJFWSA-N 307.394 -0.569 30 20 DBED Cn1nncc1CNCCN(CCO)C(=O)C#CC(C)(C)C 1754881856 MUTZWEPNATWDGV-UHFFFAOYSA-N 307.398 -0.225 30 20 DBED N#CCNCCN(CCO)C(=O)Cc1ccc2c(c1)NC(=O)C2 1754883227 GQUPGAZXZJSKCW-UHFFFAOYSA-N 316.361 -0.342 30 20 DBED N#CCNC[C@@H]1CN(C(=O)[C@@H]2CCc3ncncc3C2)CCO1 1754999744 DJJBSHDZJNRURH-TZMCWYRMSA-N 315.377 -0.078 30 20 DBED C#CCNC[C@H]1CN(C(=O)Cn2c(C)c(C)sc2=O)CCO1 1755017695 NRDRCMYKBBVHRV-ZDUSSCGKSA-N 323.418 -0.023 30 20 DBED CN(CCCN(C)C(=O)c1c[nH]c(C#N)c1)CC(=O)NCC#N 1755036588 UVYNFUHBHDXDRM-UHFFFAOYSA-N 316.365 -0.080 30 20 DBED Cc1cnn(C)c1C(=O)N1C[C@H](C)[C@@H](NCC(=O)NCC#N)C1 1755113195 FHJMXADVLQDOBB-RYUDHWBXSA-N 318.381 -0.582 30 20 DBED N#CCNC(=O)CN1CCC(CO)(NC(=O)c2ccoc2)CC1 1755176909 XNNUBKKBMSAGJD-UHFFFAOYSA-N 320.349 -0.524 30 20 DBED C#CCN1CCC(CO)(NC(=O)c2cncc(OC)n2)CC1 1755180447 AMHLOLPXLVWQOV-UHFFFAOYSA-N 304.350 -0.325 30 20 DBED C=CCNC(=O)CN[C@@H](C)[C@@H](C)NC(=O)C(=O)NCC1CC1 1755260047 LOBMZWKSUIVMRP-WDEREUQCSA-N 310.398 -0.702 30 20 DBED C=CCN1CC(CCO)(NC(=O)C(=O)N2CCC(C)CC2)C1 1755336985 OZXLQLCTGCGREB-UHFFFAOYSA-N 309.410 -0.016 30 20 DBED C#CCNC(=O)CN[C@@H](C)CN(C)C(=O)[C@@]1(C)CCCOC1 1755610711 IWHCMDYKAOBHEG-BBRMVZONSA-N 309.410 -0.011 30 20 DBED CC#CCN[C@H]1C[C@H](C)N(C(=O)CN(C)S(=O)(=O)CC)C1 1755688683 DVYJFMNSULIZHD-STQMWFEESA-N 315.439 -0.130 30 20 DBED O=C(C#CC1CC1)NC[C@H]1[C@@H]2CN(C(=O)Cc3nc[nH]n3)C[C@H]12 1756197040 GOUYEGRMGOFKEZ-XYYAHUGASA-N 313.361 -0.419 30 20 DBED C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2C=CCN2)C1 1777976060 LIMPGCMEUSRBOA-JJRVBVJISA-N 317.389 -0.339 30 20 DBED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)C3(F)CC3)C2)C1 1782912591 KZMHVMBGIMAJOM-CQSZACIVSA-N 324.308 -0.594 30 20 DBED O=C1CC[C@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C#CC2CC2)N1 1847745369 JMWVUIKQYCYUOH-RDBSUJKOSA-N 315.373 -0.120 30 20 DBED N#Cc1cnc(N2CCN(C(=O)CN3CCOCC3)CC2)cn1 106463666 YSPQSXGVRWADKX-UHFFFAOYSA-N 316.365 -0.671 30 20 DBED C[C@H](CN1CCOCC1)NS(=O)(=O)c1cccnc1C#N 235485530 SYGXBQMKZZYISN-LLVKDONJSA-N 310.379 -0.048 30 20 DBED CN1C(=O)CO[C@@H](C(=O)N2CC(C)(C#N)C2)[C@@H]1c1cnn(C)c1 281833729 PCZIXNRIIZJWIK-QWHCGFSZSA-N 317.349 -0.310 30 20 DBED CN1C[C@H](NC(=O)C(=O)Nc2ccc(C#N)c(F)c2)CC1=O 290785982 MCVBNTHIDBDBII-SNVBAGLBSA-N 304.281 -0.017 30 20 DBED CO[C@H](C)CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 290866129 ZWGAESLLYSKQRP-SNVBAGLBSA-N 311.363 -0.012 30 20 DBED C[C@H](O)C[C@@H]1COCCN1/C(O)=N/CCN1C(=O)CCC1=O 329855199 XENXQYCJAMIEGK-WDEREUQCSA-N 313.354 -0.479 30 20 DBED CCOC(=O)[C@@](C)(O)CNS(=O)(=O)N(C)C[C@H](C)C#N 336953594 WTZAYWIALHLMTF-KOLCDFICSA-N 307.372 -0.774 30 20 DBED Cc1cc(CNS(=O)(=O)N2CCO[C@H](C#N)C2)nc(C)n1 340743940 WHMAWZNXEZJWLF-GFCCVEGCSA-N 311.367 -0.348 30 20 DBED Cn1c(=O)n(CC(=O)NCC(=O)NCC#N)c2ccccc21 344183598 XEMPJWKDSGNNLE-UHFFFAOYSA-N 301.306 -0.904 30 20 DBED N#Cc1ccc(NC(=O)C(=O)NCCN2C(=O)CCC2=O)cc1 347935688 RUKVKVXDHMWGDB-UHFFFAOYSA-N 314.301 -0.238 30 20 DBED CCOC(=O)[C@@H](CO)NS(=O)(=O)Cc1cccc(C#N)c1 351977026 VFLTYXPXMLMHHW-GFCCVEGCSA-N 312.347 -0.098 30 20 DBED C=C[C@H](CO)NC(=O)CNC(=O)c1c[nH]c2ccccc2c1=O 356878486 WGFOMYVSWNWPLA-SNVBAGLBSA-N 315.329 -0.079 30 20 DBED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2C[C@@H](CO)[C@@H](C)C2)n1 362031219 YWBBQMPXCHDCCD-JQWIXIFHSA-N 319.365 0.361 30 20 DBED COc1cccc2c1OC[C@H](NC(=O)NCC(=O)NCC#N)C2 377020142 ONAOAPOLDJOAIG-LLVKDONJSA-N 318.333 -0.062 30 20 DBED CCNC(=O)N1CCN(S(=O)(=O)N(C)CCC#N)CC1 408316788 SSGLXKCUIZLGRV-UHFFFAOYSA-N 303.388 -0.576 30 20 DBED CS(=O)(=O)N1CCN(S(=O)(=O)NCCCCC#N)CC1 408435338 WKZAYNQTTWUPTB-UHFFFAOYSA-N 324.428 -0.908 30 20 DBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC#CCO 412324856 QZNVXBHVMWOGAG-LLVKDONJSA-N 321.358 -0.663 30 20 DBED Cn1cc(S(=O)(=O)NCC(=O)NCC2(CC#N)CC2)cn1 435951640 IKCMRVQQPMUQQP-UHFFFAOYSA-N 311.367 -0.492 30 20 DBED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCNC(=O)[C@@H]2C)n1 439196032 DIUGNVSQEGLGGZ-VIFPVBQESA-N 318.337 -0.379 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2cnn(C)c2C)C1=O 440270150 VMPMERZQUNCTHD-LBPRGKRZSA-N 319.365 -0.088 30 20 DBED N#Cc1ccc(NC(=O)C(=O)N2C[C@H](O)C[C@@H]2CO)c(F)c1 442286857 AGKDASURUVJXAF-NXEZZACHSA-N 307.281 -0.410 30 20 DBED C#CCN(CC#N)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 490865827 IIAUVKYABFOUQL-UHFFFAOYSA-N 318.314 -0.636 30 20 DBED C#CCN1CCN(C(=O)CN2C[C@@H](SC)[C@H](N(C)C)C2)CC1 491181654 VFUNVHDKVLLKRD-HUUCEWRRSA-N 324.494 -0.259 30 20 DBED CCS(=O)(=O)N1CC(CNS(=O)(=O)CC2(C#N)CC2)C1 526126294 YAXQRNOPVOJPSL-UHFFFAOYSA-N 321.424 -0.509 30 20 DBED Cc1nn(C)c(N2CCN(S(=O)(=O)N3CCC3)CC2)c1C#N 552101813 XJUVZMHZKUJPBT-UHFFFAOYSA-N 324.410 -0.327 30 20 DBED CC(C)O[C@@H]1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)C1 564909059 ZSRICVILPDSOMD-NEPJUHHUSA-N 303.384 -0.045 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)C[C@@H]2CCCC(=O)N2)CC1 572160976 QZIWHGNAQUWFFK-ZDUSSCGKSA-N 322.409 -0.508 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N[C@H](CO)CC2CCC2)CCO1 584845362 UJQPTYKMFZDVSH-NWDGAFQWSA-N 303.384 -0.404 30 20 DBED CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)N1CCOC[C@H]1C#N 590442164 ZJGMZBRUIXLFRR-ZYHUDNBSSA-N 315.395 -0.156 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)NCCN(C)CCCN(C)C 594820755 HARQAEQFXQTEKK-CYBMUJFWSA-N 319.475 -0.062 30 20 DBED C=C[C@@H](O)C(=O)N1CCS(=O)(=O)C[C@@H]1c1cnn(CC)c1 597535473 BJUCWJJQNOGZBO-VXGBXAGGSA-N 313.379 -0.252 30 20 DBED CCC[C@@H]1CNCCN1C(=O)C(=O)N1CCN(CCC#N)CC1 601580973 FUIGSQOMSKRYFM-CQSZACIVSA-N 321.425 -0.355 30 20 DBED CC(C)C[C@H](C#N)NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 611466306 FYSXYZFXCQDSGL-SECBINFHSA-N 314.367 -0.699 30 20 DBED CC#CC[C@H](CO)NC(=O)N[C@@H]1CCOC[C@@H]1OCCOC 645454307 PYPXDVQZAPXTJW-MCIONIFRSA-N 314.382 -0.120 30 20 DBED C=CCn1cc(C(=O)NCCS(=O)(=O)NC(C)(C)C)nn1 648244265 YZPIMAMSBPUGOF-UHFFFAOYSA-N 315.399 -0.088 30 20 DBED C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1OC 661276943 CUQAWYNSPABRPL-WISYIIOYSA-N 318.395 -0.169 30 20 DBED CC1(C)C(=O)NCCN1C(=O)CCN/C(O)=C1/N=CC=CC1=O 746215238 LZKGPRQBUULAGA-SEYXRHQNSA-N 320.349 -0.360 30 20 DBED COC[C@H](NS(=O)(=O)c1ccc(C#N)cc1F)C(N)=O 758479805 FKBYAJIOBODPIR-VIFPVBQESA-N 301.299 -0.524 30 20 DBED Cn1cc(NC(=O)C(=O)NCCNc2ccc(C#N)cn2)cn1 762413345 UTGJGUSWMOALSA-UHFFFAOYSA-N 313.321 -0.146 30 20 DBED CNS(=O)(=O)c1ccc(C(=O)n2ncc(C#N)c2N)cn1 771740753 KAMBSGDXUBOESJ-UHFFFAOYSA-N 306.307 -0.671 30 20 DBED C#CCC[C@H](O)CNC(=O)NC[C@H]1CC[C@@H](C(=O)N(C)C)O1 798451029 WZNWGJGXLHQTCM-XQQFMLRXSA-N 311.382 -0.304 30 20 DBED C#C[C@H](NC(=O)C(=O)NC[C@@H]1CCCN1CC)[C@@H]1CCCO1 809312362 MHUDZEPFTLPOHO-IHRRRGAJSA-N 307.394 -0.116 30 20 DBED CON(C)C(=O)CNCCS(=O)(=O)c1ccc(C#N)cn1 819374347 LHISCEKMQDZUSZ-UHFFFAOYSA-N 312.351 -0.664 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)c1ccc(S(N)(=O)=O)cc1 820857413 XPZCFICHZSQRJG-VIFPVBQESA-N 310.331 -0.371 30 20 DBED C#CCO[C@@H](C)C(=O)OCc1c(N(C)C)n(C)c(=O)n(C)c1=O 835467792 UKZQPERYDZYHNZ-JTQLQIEISA-N 323.349 -0.769 30 20 DBED C#CCC[C@H](C)OC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 839034089 MBKWFEJXNADANP-JTQLQIEISA-N 318.333 -0.221 30 20 DBED C=CCn1cc(C(=O)NS(=O)(=O)CCCCOC)nn1 842764071 MEFGQYFEHVROHX-UHFFFAOYSA-N 302.356 -0.050 30 20 DBED COC(=O)c1ccc(F)c(S(=O)(=O)NCC#CCO)c1 867467226 KISMFTQQYIUFRD-UHFFFAOYSA-N 301.295 -0.114 30 20 DBED C#C[C@@H](NC(=O)C(=O)NC[C@@H]1C[C@@H]2CC[C@H](C1)N2)[C@H]1CCCO1 884553304 VAGGBFSUKLRHJY-XLWJZTARSA-N 319.405 -0.070 30 20 DBED C#CC1(O)CN(CC(=O)N[C@@H](C(=O)NC)c2ccccc2)C1 934445028 JFQOLFBBHVBHTG-CQSZACIVSA-N 301.346 -0.730 30 20 DBED CN(C(=O)[C@]1(C)CNC(=O)C1)[C@H]1CCN(C(=O)C#CC2CC2)C1 937349731 KMOGHRFLNAWATG-GUYCJALGSA-N 317.389 -0.015 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@H](NC(=O)Cn3nccn3)C2)[nH]1 938014407 KAUMYFCHGVJFNT-NSHDSACASA-N 313.321 -0.491 30 20 DBED Cc1nc(C(=O)N[C@H]2CCN(C(=O)[C@H](C)C#N)C2)c(=O)[nH]c1C 938158036 PTSIGCGHLPVGTH-KCJUWKMLSA-N 317.349 -0.123 30 20 DBED Cn1ncc(C(=O)N[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)n1 938277067 FNDKPPLOZLXFQF-JTQLQIEISA-N 313.321 -0.341 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](N(C)C(=O)c2cnc(O)n2C)C1 939409238 FAEBRLUFDRMGJF-VHSXEESVSA-N 305.338 -0.042 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1cn[nH]c1 948934018 QFSINNSCWZINSP-KGLIPLIRSA-N 315.377 -0.162 30 20 DBED N#Cc1cc(C(=O)NC[C@H]2CCN2C(=O)[C@@H]2CCC(=O)N2)c[nH]1 949490858 JGOOMCQVOZOFCF-NEPJUHHUSA-N 315.333 -0.504 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H]2CNC(=O)c2nc[nH]n2)nn1 951587447 VLACIRCWTWOEIT-VIFPVBQESA-N 316.325 -0.773 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H](NC(=O)c2cn(C)c(=O)n2C)C1 951869963 MBHAIVXDSUCXPZ-WDEREUQCSA-N 319.365 -0.396 30 20 DBED C#Cc1ccc(C(=O)N2CC(N(C)C(=O)Cc3nc[nH]n3)C2)cn1 955387179 OAHBDMDHNMORML-UHFFFAOYSA-N 324.344 -0.294 30 20 DBED C[C@H](C#N)C(=O)N1CC(N(C)C(=O)[C@@H]2CCCCN2C(N)=O)C1 955393859 JYLQJNOTIBXVQV-PWSUYJOCSA-N 321.381 -0.252 30 20 DBED COCc1cncc(C(=O)NC[C@@H]2CN(CC#N)C[C@H]2O)c1 958156616 JRDVKUOCSKXOFA-ZIAGYGMSSA-N 304.350 -0.226 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](NC(=O)CN2CCOCC2)[C@H](C)C1 958367951 GUAOKCBFNUZTSH-JHJVBQTASA-N 308.382 -0.559 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](CNC(=O)c2nc3ncccn3n2)C1 958507055 KMRSGDCXEIUHLP-NEPJUHHUSA-N 316.365 -0.277 30 20 DBED CC#CCN1C[C@H]2[C@H](NC(=O)[C@@H](C)N3C(=O)CCC3=O)[C@H]2C1 960165472 KIZOQUBPDMUOGI-FJJYHAOUSA-N 303.362 -0.406 30 20 DBED Cn1cc(C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2O)cn1 961459694 QWHWKYIFPUCQMJ-OLZOCXBDSA-N 302.334 -0.865 30 20 DBED Cc1ncc(C(=O)NC[C@@H]2COCCN2C(=O)[C@@H](C)C#N)[nH]1 964124078 UWWZSZICCNUMBM-GXSJLCMTSA-N 305.338 -0.165 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H](NC(=O)Cn2nccn2)CC1 964929754 HMXZYKYKRFCWRR-VXGBXAGGSA-N 304.354 -0.065 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(C[C@@H](NC(=O)Cn3ccnc3)CO2)C1 965728963 QOFPCZWOJGADBB-NWDGAFQWSA-N 317.349 -0.471 30 20 DBED O=C1CC[C@H](C(=O)N2[C@H]3CC[C@H]2CN(C(=O)C#CC2CC2)C3)N1 968675859 YYOMXVUQBADBLZ-MELADBBJSA-N 315.373 -0.120 30 20 DBED Cc1ccn(CC(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2O)n1 970685595 MTDMEAWLTYSWAV-KGLIPLIRSA-N 316.361 -0.707 30 20 DBED C#CCN1C[C@H]2CC[C@H]1CN2C(=O)[C@H]1CCc2nnnn2CC1 971845349 YWNNOQRGYSHOKI-MELADBBJSA-N 314.393 -0.066 30 20 DBED Cc1cncn1CC(=O)N[C@H]1[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]21 976849288 XGXWHYQIIWUELK-WUWHUORYSA-N 301.350 -0.076 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)c3ccc(C(N)=O)o3)[C@H]2C1 976901222 XBKGCIFNKWKXCG-XBWDGYHZSA-N 316.317 -0.275 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H]2[C@H](NC(=O)[C@H]3CNC(=O)N3)[C@H]2C1 977083141 JOQHXLHCBCXOML-YTWAJWBKSA-N 306.366 -0.547 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]1CN(C)C(=O)c1ccc(C(N)=O)[nH]1 978417346 UNVPPOPFMABUTK-ZJUUUORDSA-N 317.349 -0.054 30 20 DBED C#CCCN1C[C@H]2C(CNC(=O)c3nnc(O)nc3O)[C@@H]2C1 978417801 VMWLFMSZTARHNQ-UWVGGRQHSA-N 303.322 -0.786 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2C[C@@H](CNC(=O)c3cnn[nH]3)C2)[nH]1 979013553 CSCWMIMWPHWQDO-WAAGHKOSSA-N 313.321 -0.057 30 20 DBED COc1c(O)nc(O)nc1C(=O)N1C[C@H](NCC#N)C[C@@H]1C 989677721 YFYAERYLPWGJLN-JGVFFNPUSA-N 307.310 -0.387 30 20 DBED CN1CCC[C@@H]1C(=O)NC1CN(C(=O)c2ccc(C#N)[nH]2)C1 990507375 BZNOPOHTHHUNQD-CYBMUJFWSA-N 301.350 -0.079 30 20 DBED N#Cc1cc(C(=O)NC2CN(C(=O)[C@H]3COCCO3)C2)c[nH]1 990919108 CASMQYFDYAODFD-GFCCVEGCSA-N 304.306 -0.758 30 20 DBED Cc1nc(O)[nH]c1C(=O)N1CC(NC(=O)c2c[nH]c(C#N)c2)C1 990936132 SHBDHFJAAHBOQD-UHFFFAOYSA-N 314.305 -0.122 30 20 DBED N#Cc1cc(C(=O)N2CC[C@@H](NC(=O)C3CC3)[C@H](O)C2)c[nH]1 991190266 LOCFTVQYGGCQHN-CHWSQXEVSA-N 302.334 -0.012 30 20 DBED Cn1nnc(CNC2CCN(C(=O)c3c[nH]c(C#N)c3)CC2)n1 991416594 MJBLGHHETLHKRA-UHFFFAOYSA-N 314.353 -0.196 30 20 DBED C=CCN1CC[C@]2(NC(=O)Cn3c(O)nnc3O)CCC[C@@H]12 992445516 KNRASRCWAYQYDU-QMTHXVAHSA-N 307.354 -0.012 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC(NC(=O)c2c[nH]nc2C)C1 997283983 COJZNVNOZIBINJ-AWEZNQCLSA-N 315.377 -0.244 30 20 DBED NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C#CC1CC1 1000502323 KWZGZWWVGXWZGM-DGTMBMJNSA-N 315.373 -0.231 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C(=O)C[C@H]2CCN(C)C2=O)CC1 1011275961 LXAJSQSOMRYSJZ-NWDGAFQWSA-N 306.366 -0.315 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2C(NC(=O)c3cnn(C)c3N)[C@@H]2C1 1012987217 IAKBBJZWBNIKAQ-SZEHBUNVSA-N 302.338 -0.651 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2ccc(S(N)(=O)=O)o2)C1 1015082412 CJFFUHHVHCCDIP-JTQLQIEISA-N 311.363 -0.246 30 20 DBED C#CCCN1CC[C@H](NC(=O)Cn2nc3n(c2=O)CCCC3)C1 1015957157 PPOVWNHUWZYBCE-ZDUSSCGKSA-N 317.393 -0.405 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)C1 1016341930 WCMRWVIFIAJDMY-GFCCVEGCSA-N 318.381 -0.806 30 20 DBED CN1CC[C@H](N[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)C1=O 1018724526 YAHKSNODOLGHEW-AAEUAGOBSA-N 301.350 -0.079 30 20 DBED N#CCN[C@@H]1CC[C@H]2CN(C(=O)CN3CCOCC3=O)C[C@H]21 1026285614 PPMIUGIPIKBEOA-YNEHKIRRSA-N 306.366 -0.805 30 20 DBED COCCn1nc(C(=O)NC[C@H]2CCN(CC#N)C2)ccc1=O 1028677095 SKSUKGBISLNUCE-GFCCVEGCSA-N 319.365 -0.535 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)[C@H]3OCC[C@H]3C)C2)C1=O 1030976332 FFKOFMSVMCYIQG-BNOWGMLFSA-N 307.394 -0.001 30 20 DBED N#Cc1cc(C(=O)NCC2CN([C@H]3CCCNC3=O)C2)c[nH]1 1031622722 FGHRVROXGVLLAD-ZDUSSCGKSA-N 301.350 -0.173 30 20 DBED N#CCN1CCO[C@@H](CNC(=O)c2cn3c(n2)COCC3)C1 1035422196 ZCAWATIRVZUIOX-NSHDSACASA-N 305.338 -0.633 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)c2ccnc3[nH]nnc23)C1 1035440567 PYNDGACXPDFXDD-JTQLQIEISA-N 300.322 -0.583 30 20 DBED C=CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1coc(S(N)(=O)=O)c1 1037472810 QMPOOFGLBXDUKL-UBHAPETDSA-N 311.363 -0.085 30 20 DBED C#CCN1CCC(C(=O)N[C@@H]2[C@H]3C[C@H]2N(CC(=O)NC)C3)CC1 1037744881 XTUOHXKXZKSOKW-SQWLQELKSA-N 318.421 -0.734 30 20 DBED C=CCO[C@@H](C)C(=O)NC[C@@]1(O)CCN(C(=O)c2ccon2)C1 1040160873 IKMGNAOODNRKRK-NHYWBVRUSA-N 323.349 -0.041 30 20 DBED CC#CCCCC(=O)NC[C@@]1(O)CCN(C(=O)c2cnon2)C1 1040607708 YLDZRGDKNGQYIS-HNNXBMFYSA-N 320.349 -0.044 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@](O)(CNC(=O)c2cnon2)C1 1040668321 JTOIFMSTQHQONT-AWEZNQCLSA-N 308.338 -0.025 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)c2ccncn2)C1 1040761864 XGUWOLLFYUBNGQ-HZMBPMFUSA-N 303.322 -0.671 30 20 DBED Cc1nonc1CC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H](C)C#N)C1 1040778066 CVANRPGZFOIHOZ-XPTSAGLGSA-N 321.337 -0.840 30 20 DBED N#Cc1ccc(C(=O)N2CC(O)(CNC(=O)C3CCC3)C2)[nH]1 1041100444 NCMGDBFOYDAPFE-UHFFFAOYSA-N 302.334 -0.010 30 20 DBED C#CCCCCC(=O)N1CC(O)(CNC(=O)c2cnn(C)c2)C1 1041412788 KTZMPWGZQWIPMN-UHFFFAOYSA-N 318.377 -0.083 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)c2cccn2C)C1 1041509483 WILRWWIBVSHPBY-UHFFFAOYSA-N 319.361 -0.632 30 20 DBED N#Cc1cc(C(=O)NCC2(O)CN(C(=O)CC3CC3)C2)c[nH]1 1042666704 JEVGSNNOPQXMEH-UHFFFAOYSA-N 302.334 -0.010 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)c2coc(C)n2)C1 1042747988 PTEPUTLXWAUJBM-SNVBAGLBSA-N 321.333 -0.676 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(O)CN(C(=O)[C@H](C)COC)C1 1042806879 MAWLNHQXMOCSJP-RISCZKNCSA-N 314.382 -0.715 30 20 DBED CC(C)(C)C#CC(=O)NCC1(O)CN(C(=O)[C@H]2CCCO2)C1 1042965277 ZQJCFBPNTHYWIZ-GFCCVEGCSA-N 308.378 -0.096 30 20 DBED CCOc1nc(C(=O)NCC2(O)CN(C(=O)[C@@H](C)C#N)C2)co1 1043977961 OKUHQUFHXUGPKP-VIFPVBQESA-N 322.321 -0.464 30 20 DBED Cc1conc1C(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1044171786 NGESMKHENKYWTL-MNOVXSKESA-N 314.305 -0.376 30 20 DBED Cn1nnc(CNC[C@@H]2CCCN2C(=O)c2ccc(C#N)[nH]2)n1 1045000768 XZDZENSDTBGMIC-NSHDSACASA-N 314.353 -0.196 30 20 DBED C=C1CC(C)(C(=O)NCC2(O)CN(C(=O)Cc3ncc[nH]3)C2)C1 1046307823 ZGPAEHDLUMSWKJ-UHFFFAOYSA-N 318.377 -0.002 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cc(=O)c(OC)c[nH]2)C1 1047458626 XEKOUOPYUZIGLA-JSGCOSHPSA-N 319.361 -0.476 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@@H](N(C)C(=O)[C@]2(C)CNC(=O)C2)C1 1047468633 MYEAKMOVHASANK-MJVIPROJSA-N 315.801 -0.231 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2c(C)c(C)nn(C)c2=O)C1 1047479175 DHEJSQIBKOTWGV-STQMWFEESA-N 318.377 -0.853 30 20 DBED C=CCCN1C[C@H](O)[C@@H](N(C)C(=O)CN2CCC(=O)NC2=O)C1 1047588127 IHEWZARJWULDIJ-RYUDHWBXSA-N 324.381 -0.992 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2nc3nccc(C)n3n2)C1 1047618580 HCWYLOSJPQCSHE-RYUDHWBXSA-N 314.349 -0.817 30 20 DBED C=C(C)CCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cn(C)nn2)C1 1048782468 SNNSNHINUOPNDH-STQMWFEESA-N 321.381 -0.185 30 20 DBED C=CCn1cc(C(=O)N2C[C@@H]3CN(C[C@@H](C)O)C[C@@H]3C2)nn1 1049103599 PJEQFXYPSFVQKG-UPJWGTAASA-N 305.382 -0.151 30 20 DBED C=CC(C)(C)C(=O)N(C)[C@H]1CN(C(=O)c2ncn(C)n2)C[C@@H]1O 1049172343 RAIUSBVTPJUFGK-QWRGUYRKSA-N 321.381 -0.329 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)[C@H]1CN(C(C)=O)CCO1)C2 1050746358 YHBQZDSTQTUDHQ-OAHLLOKOSA-N 319.405 -0.209 30 20 DBED C#CCCN1CCOC[C@@H]1CNC(=O)c1cn(C)ccc1=O 1051016592 KSBMGPUCWHYKCM-ZDUSSCGKSA-N 303.362 -0.161 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)[C@@H]1CN2CC3CC2(CO1)C3 1051037295 CXWDYMCFJNORMB-DGNOSDGRSA-N 319.405 -0.700 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1051042866 GLMOZTGYXCPIIS-ZQDZILKHSA-N 308.378 -0.512 30 20 DBED C=CCN1CCN([C@H]2CCN(C(=O)[C@@H]3COCCN3C)C2)CC1 1052017829 WITRIKRETWNRAW-HOTGVXAUSA-N 322.453 -0.279 30 20 DBED C[C@@H](C(N)=O)N1CC2(CN(C(=O)c3c[nH]c(C#N)c3)CCO2)C1 1053227127 OUBDUYGMMSORPU-JTQLQIEISA-N 317.349 -0.713 30 20 DBED C#CCN1CC2(C1)CN(C(=O)CCc1cnccn1)CCO2 1053499345 YXLOFUYHCRGXCW-UHFFFAOYSA-N 300.362 -0.044 30 20 DBED C=CCN1CC[C@]2(CCCN(C(=O)CN3CCNC(=O)C3)C2)C1 1054175039 FWONNKGFDBYHDU-QGZVFWFLSA-N 320.437 -0.081 30 20 DBED C=C(C)CN[C@H]1CN(C(=O)CN2CCN(C)C(=O)C2)C[C@@H]1C 1054814835 AGWSKEILMGVADG-KBPBESRZSA-N 308.426 -0.227 30 20 DBED CN(c1nccnc1C#N)[C@@H]1CCN(C(=O)Cn2cnnn2)C1 1056850152 UOXLQPBODSHLQY-SNVBAGLBSA-N 313.325 -0.928 30 20 DBED CN(c1nccnc1C#N)[C@H]1CCN(C(=O)c2nnn(C)n2)C1 1057001570 BUQSLFRPHVSWPS-VIFPVBQESA-N 313.325 -0.777 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)c1cccn(C)c1=O 1058233412 JEGDHWIJFHNMEA-NSHDSACASA-N 320.349 -0.904 30 20 DBED Cn1oc(C(=O)N[C@@H]2CCN(c3ccnc(C#N)n3)C2)cc1=O 1058336160 PBVFXNWTMZNZDP-SECBINFHSA-N 314.305 -0.351 30 20 DBED Cc1ncc(C(=O)N(CCO)CCNC(=O)C#CC(C)C)n1C 1058499130 SPTGEYGZSDWKJY-UHFFFAOYSA-N 320.393 -0.061 30 20 DBED CC(C)N1CCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@H](C)C#N 1058658949 OVZHPFJXVXMMGK-KGLIPLIRSA-N 324.425 -0.044 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](CCNC(=O)c2ncn(C)n2)C1 1060289761 SDJOTFUEMHGFSY-GHMZBOCLSA-N 304.354 -0.057 30 20 DBED N#Cc1cnc(NC[C@@H]2CCN(C(=O)[C@H]3CNC(=O)N3)C2)cn1 1060972729 QZBVRBFGCKFGAP-GXSJLCMTSA-N 315.337 -0.710 30 20 DBED C=CCOCC(=O)N1CCOC[C@H]1CNC(=O)[C@@H]1CCCO1 1061258619 IVXJAQAENHQYHK-OLZOCXBDSA-N 312.366 -0.288 30 20 DBED C=CCOCC(=O)N1CCOC[C@H]1CNC(=O)[C@@]12COC[C@@H]1C2 1061639480 RZLSFWLEZANTNB-ZENOOKHLSA-N 324.377 -0.431 30 20 DBED Cn1nnc(C(=O)NC[C@H]2CCN(c3cnc(C#N)cn3)C2)n1 1061705679 IXQDEKPOCJXABR-SECBINFHSA-N 313.325 -0.872 30 20 DBED C=CCO[C@@H](C)C(=O)NC[C@H]1CCCCN1C(=O)CC(N)=O 1062083003 TXHTZPNNUCWROP-NWDGAFQWSA-N 311.382 -0.050 30 20 DBED C=CCOCC(=O)NCC1(NC(=O)[C@@H](C)CC(N)=O)CCC1 1062704209 BDYDFQGDUCZSBS-NSHDSACASA-N 311.382 -0.144 30 20 DBED N#Cc1cnc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)c2c[nH]c(=O)cn2)cn1 1064332829 AOBAAZJGUJBKQP-YKHWKNEFSA-N 323.316 -0.561 30 20 DBED N#Cc1cncc(N2CC[C@@H]3CCN(C(=O)CC(N)=O)C[C@H]32)n1 1064674845 MWUNUFSBASOBMW-CMPLNLGQSA-N 314.349 -0.349 30 20 DBED Cn1cnc(C(=O)N2CCO[C@H](CNC(=O)C#CC3CC3)C2)n1 1065116272 RRDBVMGVSQSVAP-GFCCVEGCSA-N 317.349 -0.814 30 20 DBED CNC(=O)C1(C(=O)N2CCO[C@H](CNC(=O)[C@H](C)C#N)C2)CC1 1065334500 GIRPHTOFYOSTPB-GHMZBOCLSA-N 322.365 -0.984 30 20 DBED CC(C)(C)C#CC(=O)NC[C@H]1CN(C(=O)c2nc[nH]n2)CCO1 1065447602 RKMMDZGBLZMLSP-NSHDSACASA-N 319.365 -0.189 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC[C@@H](NC(=O)CC(=O)NC)CC1 1066086518 IIVQNOYNRXOXMX-CHWSQXEVSA-N 323.393 -0.342 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)CC(N)=O 1067055293 ZDSNCGOCOHMZKJ-ZDUSSCGKSA-N 322.409 -0.734 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)CCCN(C)C(=O)[C@@H]1CCNC1=O 1067431317 OYRQOOVJEWGLGI-QWHCGFSZSA-N 323.393 -0.532 30 20 DBED Cn1ncc(C(=O)NCC2[C@H]3CN(c4cncc(C#N)n4)C[C@H]23)n1 1068178214 STTSWLFMVXOPRK-VXGBXAGGSA-N 324.348 -0.411 30 20 DBED C=CCO[C@H](C)C(=O)N[C@H]1COC2(C1)CN(C(=O)COC)C2 1068910284 HUKZNTPNGWAAEQ-VXGBXAGGSA-N 312.366 -0.290 30 20 DBED N#Cc1nccc(N2CC[C@@]3(NC(=O)C(N)=O)CCC[C@@H]23)n1 1069283002 UUFRIASELZVRCT-OTYXRUKQSA-N 300.322 -0.549 30 20 DBED Cn1cc(CC(=O)N2C[C@H](n3ccnn3)[C@H](NCC#N)C2)cn1 1070155129 YDVRKSQRWYRERW-OLZOCXBDSA-N 314.353 -0.881 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C)O2)C[C@@H]1n1ccnn1 1070279214 QFRRTUHCMXBWEY-YIYPIFLZSA-N 303.366 -0.180 30 20 DBED C=CCN1CC2(C1)CN(C(=O)C(N)=O)C[C@@H]2c1n[nH]c(C)n1 1070447319 HZNZPMKJDCTSHZ-SNVBAGLBSA-N 304.354 -0.988 30 20 DBED N#CCSCC(=O)N1CCC[C@@H](NC(=O)[C@H]2CCC(=O)N2)C1 1070452673 UANLWDULRBGAEY-GHMZBOCLSA-N 324.406 -0.371 30 20 DBED C=CCCOCC(=O)N1CCC[C@@H](NC(=O)[C@@H]2CCNC2=O)C1 1070902785 SWVPHQQPIGOSQR-CHWSQXEVSA-N 323.393 -0.178 30 20 DBED Cc1ncncc1C(=O)N1CCC(=O)NCCN(CC#N)CC1 1070940622 OMUJYGMMDVBVRG-UHFFFAOYSA-N 316.365 -0.427 30 20 DBED C#CCOCCC(=O)N[C@H]1CN(C(=O)CC(=O)NCC)C[C@@H]1C 1071943754 RBEGDIHSQFTJEY-STQMWFEESA-N 323.393 -0.484 30 20 DBED C#CCOCCC(=O)N1C[C@@H](NC(=O)c2cnon2)[C@H](C)C1 1072101045 MGFVELIWUDHWLG-ZYHUDNBSSA-N 306.322 -0.314 30 20 DBED N#Cc1cc(C(=O)N2CC[C@H]3OCCN(CC(N)=O)[C@@H]3C2)c[nH]1 1074212107 KFWKLMAEDCPRQH-CHWSQXEVSA-N 317.349 -0.713 30 20 DBED COc1c(C(=O)N2CC[C@H]3OCCN(CC#N)[C@H]3C2)cnn1C 1074393189 WVVNEDBHENQOKM-QWHCGFSZSA-N 319.365 -0.132 30 20 DBED N#CCN[C@H]1CCCO[C@H]1C1CCN(C(=O)CC(N)=O)CC1 1075407215 XPKUQPRBUBVLNQ-WFASDCNBSA-N 308.382 -0.239 30 20 DBED C=CCOCC(=O)NCC[C@H](C)NC(=O)[C@@H]1CN(C)C(=O)N1 1075921096 ILOJKBXIAUIQEF-QWRGUYRKSA-N 312.370 -0.776 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2ccc(Cn3cccn3)o2)C1 1077042468 IEQIAMQXNOOBDH-CHWSQXEVSA-N 315.333 -0.177 30 20 DBED C[C@@H](CCNC(=O)c1nc[nH]n1)NC(=O)c1ccc(C#N)[nH]1 1077830121 GVKAXGMCCZSKQL-QMMMGPOBSA-N 301.310 -0.057 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2ccc(NC(N)=O)cc2)C1 1078130287 XKIZSJVHXPISCW-VXGBXAGGSA-N 303.322 -0.524 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2ccc3c(O)ncnc3c2)C1 1078184865 NINZWVLLHJAWHC-CHWSQXEVSA-N 313.317 -0.366 30 20 DBED C#CCN[C@H]1C[C@H]2CC[C@H]1N(C(=O)Cn1ccc(O)nc1=O)C2 1078991350 XURKEEDURLJECC-FRRDWIJNSA-N 316.361 -0.449 30 20 DBED CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)[C@H]2CCNC(=O)C2)C1 1080411484 NEPLKCICRINHTI-QWRGUYRKSA-N 306.366 -0.268 30 20 DBED CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)C2(C(=O)NC)CC2)C1 1080413141 RAWGQKJUAQTRNM-SNVBAGLBSA-N 306.366 -0.268 30 20 DBED C=C(C)CCC(=O)NC[C@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1O 1081531528 UGKADYYAKKVGLV-NWDGAFQWSA-N 321.381 -0.280 30 20 DBED N#CCSCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2cc[nH]c2)C1 1081538770 FVWWOTUDGLCENS-VXGBXAGGSA-N 322.390 -0.179 30 20 DBED C=CCCOCC(=O)NC[C@H]1CN(C(=O)c2ccon2)C[C@H]1O 1081569355 NHVODVXQWJKCJL-WCQYABFASA-N 323.349 -0.184 30 20 DBED C=CCCCC(=O)NC[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1O 1081703424 QFSBNRWGJFOPQU-DGCLKSJQSA-N 321.381 -0.280 30 20 DBED C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1N[C@@H]1CCNC1=O 1082480179 LMWAUJZPGLZBMW-IRUJWGPZSA-N 301.350 -0.175 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)C[C@H]1COC(=O)C1 1083050314 HMYQSNKHRYGOOG-HZSPNIEDSA-N 306.362 -0.126 30 20 DBED C=CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CCc1cnn(C)n1 1083195484 WRHHKMZMUDBTHT-UONOGXRCSA-N 305.382 -0.155 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CCc2n[nH]cc2C1 1083246790 KEVGZXUSPUBXQA-BYCMXARLSA-N 315.377 -0.050 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)c2nc3ncc(C)cn3n2)C1 1083554436 FKLJJKBXBBSJTG-MNOVXSKESA-N 302.338 -0.606 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(C[C@H](C)OC)C[C@@H]2O)nc1 1083968883 JILQCIJNUNHHJW-GLQYFDAESA-N 303.362 -0.127 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H]1C[C@H](N[C@@H](C)C(N)=O)C1 1086389606 SXPNNHAWVHKCGH-XUXIUFHCSA-N 306.410 -0.558 30 20 DBED C=CCN1CC[C@H](NC(=O)c2ccnc3c2CC(=O)N3)[C@@H](O)C1 1090393438 KYLKGLVCNDZVSR-STQMWFEESA-N 316.361 -0.073 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2cc(OC)nc(OC)c2)[C@@H](O)C1 1090396293 ISSCXJCUWHBYJN-OLZOCXBDSA-N 319.361 -0.103 30 20 DBED CC(C)N(C)CC(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1O 1090439264 CHKQNQZTBVXMMN-HUUCEWRRSA-N 317.393 -0.041 30 20 DBED C[C@@H]1CN(c2ccncc2C#N)C[C@H]1NC(=O)CCNC(N)=O 1090711512 VUYITHLOAYYWAF-ZYHUDNBSSA-N 316.365 -0.047 30 20 DBED N#CCN1CC[C@H](NC(=O)c2noc3c2COCC3)[C@H](O)C1 1090822682 DSPCMSLZNNQMJU-WDEREUQCSA-N 306.322 -0.564 30 20 DBED C[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1NC(=O)CC(=O)N(C)C 1090833489 TWOITCFOHLVIEO-GHMZBOCLSA-N 316.365 -0.233 30 20 DBED C#CCNC1CC(CNC(=O)[C@H]2CC(=O)N(CCOC)C2)C1 1091057198 FLLLAFQXLWOIJJ-MOKVOYLWSA-N 307.394 -0.401 30 20 DBED CC(C)(C(N)=O)C(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@@H]1O 1091157831 RHFDZDAHJSBLLM-NEPJUHHUSA-N 317.349 -0.870 30 20 DBED C[C@@]12CN(CC#N)C[C@@H]1CN(C(=O)CC[C@@H]1NC(=O)NC1=O)C2 1092259688 KWOUAUIDZMPKOE-ZETOZRRWSA-N 319.365 -0.722 30 20 DBED C=CCN1CC[C@H](NC[C@@H]2CN(C(=O)CC(N)=O)C[C@H]2C)C1=O 1093683487 RPRUUHIXWLOFBU-UPJWGTAASA-N 322.409 -0.667 30 20 DBED CN1CC[C@H](CC(=O)NCCNc2cnc(C#N)cn2)C1=O 1093961230 VULBXPIVNGKJSM-SNVBAGLBSA-N 302.338 -0.255 30 20 DBED Cc1ccc(C#N)c(NCCNC(=O)C[C@@H]2NC(=O)NC2=O)n1 1094215126 WGVJEBYSTXNXCS-JTQLQIEISA-N 316.321 -0.612 30 20 DBED Cc1cc(=NCCNC(=O)[C@@H](C)S(C)(=O)=O)c(C#N)c[nH]1 1094238793 HMKOPUMMOOOYFY-SNVBAGLBSA-N 310.379 -0.355 30 20 DBED C[C@@H](C(=O)NCCCN=c1cc[nH]c(C#N)n1)N1CCOCC1 1094485689 OIXOPCLNQGPQMO-LBPRGKRZSA-N 318.381 -0.591 30 20 DBED N#Cc1ccc(NCCCNC(=O)C2CC(=O)NC(=O)C2)cn1 1094495748 OHIMEKZSSZSHSC-UHFFFAOYSA-N 315.333 -0.076 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)c3nn(C)cc3C)CC2=O)C1 1094736184 DWRUQIJYKYUWHW-GFCCVEGCSA-N 315.377 -0.623 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)c3ocnc3CC)CC2=O)C1 1094783931 YUGNJVOPVCHYCH-LLVKDONJSA-N 316.361 -0.115 30 20 DBED CNC(=O)CC(=O)N1CCCN(c2cnc(C#N)cn2)CC1 1095176992 IBKVNVKVHNHKQV-UHFFFAOYSA-N 302.338 -0.477 30 20 DBED C[C@@H](CC(N)=O)C(=O)N1CCC[C@@H](N=c2cc[nH]c(C#N)n2)C1 1095320001 BLRXBMLIIYGLOY-WDEREUQCSA-N 316.365 -0.315 30 20 DBED COC(=O)NCC(=O)NCCCN(C)c1ccc(C#N)nn1 1095483788 DPSWFGCXNAHRNV-UHFFFAOYSA-N 306.326 -0.353 30 20 DBED CC(=O)N(C)CC(=O)N[C@@H]1CCCN(c2cnc(C#N)cn2)C1 1096166535 CJJNGHLZPKSAOB-GFCCVEGCSA-N 316.365 -0.088 30 20 DBED CNC(=O)NCC(=O)N[C@H]1C[C@H](N=c2cc[nH]cc2C#N)C1 1097110017 QNUBKBSDULSKAV-XYPYZODXSA-N 302.338 -0.637 30 20 DBED C[C@H](CNC(=O)[C@@H]1CCNC(=O)C1)Nc1ccc(C#N)nn1 1097773630 IIDCARBYIGOXPH-NXEZZACHSA-N 302.338 -0.209 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1C(=O)CN(C)C1=O 1098347079 KAQROGVLHAPJKO-UTUOFQBUSA-N 304.350 -0.765 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)c2cscn2)[C@@H](O)C1 1099716613 YDYKTDOUVDYBOL-PWSUYJOCSA-N 324.406 -0.390 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)c2n[nH]c(C)c2O)[C@H](O)C1 1099773029 PUZCPERSZIMSNL-VXGBXAGGSA-N 324.381 -0.209 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)CCN2C(=O)CCC2=O)[C@@H](O)C1 1099908455 DMKXPLIZJNLXCY-STQMWFEESA-N 323.393 -0.347 30 20 DBED C=C1CC(C)(C(=O)N[C@H]2CCN(CC(=O)NCC#N)C[C@H]2O)C1 1099993449 ASKDBLNXNFRUGQ-QWHCGFSZSA-N 320.393 -0.466 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)c2nocc2C)[C@@H](O)C1 1100064097 IBPBLCGNHIJNMF-NEPJUHHUSA-N 322.365 -0.550 30 20 DBED CC#CCN1CC[C@H](NC(=O)CS(=O)(=O)CCC)[C@H](O)C1 1100114783 SXDZYLFFZZXGJQ-QWHCGFSZSA-N 316.423 -0.614 30 20 DBED CO[C@@H](C(=O)NCCN(C)c1ccc(C#N)nn1)[C@@H]1CCOC1 1100250631 JWKHRYBRJWKCLV-BXUZGUMPSA-N 319.365 -0.048 30 20 DBED CN(CCNC(=O)[C@@H]1CCC(=O)NC1)c1ccc(C#N)nn1 1100404008 HYOYTSWBBFSNCR-SNVBAGLBSA-N 302.338 -0.573 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)[C@@H](C2CC2)N(C)C)C1 1100407650 DGTYSDVQPRDNDI-LDZOIKDWSA-N 320.437 -0.440 30 20 DBED Cc1cc(C#N)nc(NCCN(C)C(=O)c2cn(C)nn2)n1 1101573483 NDDQPYJFBASOAA-UHFFFAOYSA-N 300.326 -0.031 30 20 DBED C#CCNC(=O)CN1CC2(C[C@H](NC(C)=O)c3nccn32)C1 1101599723 UOAVAYAMALKYME-LBPRGKRZSA-N 301.350 -0.776 30 20 DBED CN1C[C@@H](C(=O)N(C)CCNc2cncc(C#N)n2)NC1=O 1101903051 OAPRMSGLKDUSQA-JTQLQIEISA-N 303.326 -0.758 30 20 DBED Cc1ncnc(O)c1C(=O)N(C)CCN=c1cc[nH]c(C#N)n1 1101911070 LGGFFLVDSMVFKJ-UHFFFAOYSA-N 313.321 -0.242 30 20 DBED C=CCOCCN1C[C@@H](C)[C@H](CNC(=O)CNC(=O)NC)C1 1102023837 MFUUWIOMSSNYGA-CHWSQXEVSA-N 312.414 -0.198 30 20 DBED CN(CCN(C)c1ccnc(C#N)n1)C(=O)Cn1cnnc1O 1105387891 NODPDXYBJHZTSQ-UHFFFAOYSA-N 316.325 -0.760 30 20 DBED C=CCCO[C@H](C)C(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1 1105737892 LRGBBEDSCLZVFW-VXGBXAGGSA-N 319.365 -0.360 30 20 DBED N#Cc1cnc(NC[C@H](O)CNC(=O)CCc2ncc[nH]2)cn1 1105804370 POGNYKFDHSBMDD-NSHDSACASA-N 315.337 -0.407 30 20 DBED CCn1cc(C(=O)NC[C@@H](O)CNc2ccc(C#N)nn2)nn1 1105954328 UGYSXTZAMWBNFO-JTQLQIEISA-N 316.325 -0.838 30 20 DBED C[C@H](CCN=c1cc[nH]cc1C#N)NC(=O)C1CS(=O)(=O)C1 1106458947 LUYKQJUFLNQDRZ-SNVBAGLBSA-N 322.390 -0.274 30 20 DBED CC(=O)N[C@@H](C)C(=O)NC/C=C\CNc1nccnc1C#N 1107020070 AIMMWHXBLFLOJQ-XOULXFPDSA-N 302.338 -0.043 30 20 DBED C=CCN1CC(n2cc(CNC(=O)[C@@H](C)n3cncn3)nn2)C1 1107159901 YQMZMRJRMXDZIG-LLVKDONJSA-N 316.369 -0.210 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](C)NC(=O)Cn2cncn2)n1 1107754607 PCQCBTSSRFHISK-SNVBAGLBSA-N 300.326 -0.135 30 20 DBED C[C@]1(CNC(=O)C#CC2CC2)CN(CC(=O)N2CCC2)CCO1 1107930773 OYSKAHOOZIDTJH-KRWDZBQOSA-N 319.405 -0.161 30 20 DBED COc1coc(C(=O)NC[C@]2(C)CN(CC#N)CCO2)cc1=O 1108073027 AZTFLKDGNLQNLA-OAHLLOKOSA-N 321.333 -0.007 30 20 DBED C[C@H](CNc1cncc(C#N)n1)NC(=O)[C@@]1(C)CCNC1=O 1108105936 UPZCONFQDFNDPT-OTYXRUKQSA-N 302.338 -0.209 30 20 DBED CC#CCN1CCO[C@@](C)(CNC(=O)c2c[nH]c(=O)cn2)C1 1108168261 YIEQGSOSRRULSJ-HNNXBMFYSA-N 304.350 -0.386 30 20 DBED C=C(C)CN1CC(N2C[C@H](NC(=O)CCNC(N)=O)CC2=O)C1 1108591039 RBOZBLGNJHDEET-LLVKDONJSA-N 323.397 -0.978 30 20 DBED C[C@H](CN(C)c1cncc(C#N)n1)NC(=O)[C@@H]1CCNC1=O 1109206882 YTLUJPNZBKYJTQ-MWLCHTKSSA-N 302.338 -0.575 30 20 DBED C[C@@H](CN(C)c1ccnc(C#N)n1)NC(=O)[C@H]1CC(=O)N(C)C1 1109296692 YVOBDOWIMKBIKA-QWRGUYRKSA-N 316.365 -0.233 30 20 DBED CC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C[C@H](NC(C)=O)C(N)=O 1109808550 MDMNTRXBLURJCZ-RFGFWPKPSA-N 320.393 -0.889 30 20 DBED N#Cc1nc(=NC[C@@H](NC(=O)Cn2ccnc2)C2CC2)cc[nH]1 1109866370 ZEPMPMQERKQUTL-GFCCVEGCSA-N 311.349 -0.026 30 20 DBED N#Cc1ccc(NC[C@H](NC(=O)[C@H]2CNC(=O)N2)C2CC2)nn1 1109963932 UJGRQBIYVUXJRM-WDEREUQCSA-N 315.337 -0.664 30 20 DBED CC(=O)N(C)CC(=O)N[C@]1(C)CCN(c2ccc(C#N)nn2)C1 1110723318 YVNRMOKPFMEROH-OAHLLOKOSA-N 316.365 -0.088 30 20 DBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cnco1 1110871118 SNWFZZZQHYWDHG-MXWKQRLJSA-N 303.322 -0.351 30 20 DBED C=CCCC(=O)NC[C@]1(O)CCN(c2nccn3nnnc23)C1 1111045746 RUGNLEMXWDCXSL-CQSZACIVSA-N 317.353 -0.457 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@]1(O)CCN(c2cc(C)ncn2)C1 1111097632 CWCBPJVDLZRSPU-XJKSGUPXSA-N 318.377 -0.119 30 20 DBED N#Cc1nc(=NCCN(CCO)C(=O)c2ccnnc2)cc[nH]1 1111567449 HACIQFRPKVDUCE-UHFFFAOYSA-N 313.321 -0.893 30 20 DBED N#Cc1ccc(NCCN(CCO)C(=O)[C@@]23COC[C@@H]2C3)nn1 1111577645 ONJCZKTWTQRWJK-NHYWBVRUSA-N 317.349 -0.382 30 20 DBED C#CCOCCC(=O)N1CCN(CC(=O)NC(=O)NCC)CC1 1112843439 WGYSKMFBIDRSQN-UHFFFAOYSA-N 324.381 -0.984 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)C2(N(C)C)CCC2)CC1 1112961772 NIWCHEDHZCVVPI-AWEZNQCLSA-N 320.437 -0.247 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)c3cnns3)[C@H]2C1 1113924553 HIVXKHUDELMFHM-IUCAKERBSA-N 307.379 -0.500 30 20 DBED CCCNC(=O)NC(=O)CN1C[C@H]2[C@H](NC(=O)[C@H](C)C#N)[C@H]2C1 1114066753 HUQOHNWUSJMIHU-DCQANWLSSA-N 321.381 -0.572 30 20 DBED C=CCOCCN1C[C@H]2[C@H](NC(=O)CCc3nc[nH]n3)[C@H]2C1 1114120023 IFWPNJDSHURMTK-JYAVWHMHSA-N 305.382 -0.014 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)[C@@H]3CC(=O)N(C)C3)[C@@H]2C1 1114358508 XIYACLKLYXKHLO-JHJVBQTASA-N 305.378 -0.839 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@H](C3CC3)N(C)C)[C@H]2C1 1114409057 FTVSFOLTHYJQBQ-XNISGKROSA-N 320.437 -0.325 30 20 DBED C=C(C)CN1C[C@H]2[C@H](NC(=O)CCc3nnc(O)nc3O)[C@H]2C1 1114512815 HCOWEHPXOVIQEF-IWIIMEHWSA-N 319.365 -0.162 30 20 DBED C=CCCCC(=O)N[C@H]1[C@@H]2CN([C@H](C)C(=O)NC(N)=O)C[C@@H]21 1114759213 DUBATGJDWHURKA-DCQANWLSSA-N 308.382 -0.028 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3ccn(CC)n3)[C@H]2C1 1114921672 QQPVXGLERKZZQS-RYUDHWBXSA-N 315.377 -0.688 30 20 DBED C=CCC[C@H](C)N1C[C@H]2C(NC(=O)CN3C(=O)CNC3=O)[C@@H]2C1 1115210518 JCJNXLXCIZQGKH-QJPTWQEYSA-N 320.393 -0.061 30 20 DBED C#CCNC(=O)CC(=O)N(C)C[C@@H](C)Nc1cncc(C#N)n1 1115685302 ASBACGGEPUYHCI-LLVKDONJSA-N 314.349 -0.253 30 20 DBED C=CCCOCCNC(=O)C(=O)N[C@H](C)CS(C)(=O)=O 1117377944 OJWBPKNKZYFNLE-SNVBAGLBSA-N 306.384 -0.755 30 20 DBED N#CCNC(=O)CNC(=O)NC1CCN(c2cccnn2)CC1 1117431201 KNNJWNWMHHGPER-UHFFFAOYSA-N 317.353 -0.616 30 20 DBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCc1ncn(C)n1 1117724324 FRASZRNIFFFYKK-JQWIXIFHSA-N 307.354 -0.471 30 20 DBED CN(C)CC#CCNC(=O)CCN/C(O)=C1\N=CC=CC1=O 1119663738 WKCZBGBTLJUXOD-CCEZHUSRSA-N 304.350 -0.416 30 20 DBED C#CCNC(=O)CNC1CC2(C1)CC(NC(=O)[C@@H](C)OC)C2 1120739247 FEPWEBJNENBAFQ-MPXNVAGNSA-N 307.394 -0.212 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@@H](CO)N=c2cc[nH]cc2C#N)c1 1121265009 FYQDLGPXHGUPPP-LBPRGKRZSA-N 310.317 -0.222 30 20 DBED N#Cc1cccnc1N[C@H](CO)CNC(=O)C[C@H]1COC(=O)C1 1121304491 YKCPSGIENRBBSG-PWSUYJOCSA-N 318.333 -0.205 30 20 DBED Cn1ncc(C(=O)NC[C@H](CO)Nc2ncccc2C#N)c1N 1121331372 FPHRIGQGFCFCNA-SNVBAGLBSA-N 315.337 -0.528 30 20 DBED N#Cc1c[nH]ccc1=N[C@H](CO)CNC(=O)COCC(F)F 1122256941 YYMJJZXSVQTAFL-JTQLQIEISA-N 314.292 -0.454 30 20 DBED C#CCSCC(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1 1122516873 WDBDYDOVSUEGMR-SNVBAGLBSA-N 314.388 -0.681 30 20 DBED CNC(=O)NCC(=O)N1CC[C@@H](Nc2cncc(C#N)n2)[C@H]1C 1123109096 IULXQNLMSHUGQN-MWLCHTKSSA-N 317.353 -0.321 30 20 DBED CNC(=O)CC(=O)N(C)C[C@H](O)CNc1ccc(C#N)cn1 1124256279 HAYWPPAXVXUVOF-LLVKDONJSA-N 305.338 -0.679 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)c1ccnc(O)c1 1125605109 MIADYWMGQOPVFO-UHFFFAOYSA-N 321.337 -0.882 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)c2cc(=O)n(C)o2)C1=O 1126297666 YSDFLZNOUCHXJN-SNVBAGLBSA-N 308.338 -0.915 30 20 DBED C#CCO[C@H](C)C(=O)NCCNC[C@H](C)CS(C)(=O)=O 1127051236 DIQXKINKPFENGL-NWDGAFQWSA-N 304.412 -0.589 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CCc2nnc(CNCC#N)n2CC1 1127965415 URHHLUIZJAJBQQ-WDEREUQCSA-N 301.354 -0.128 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@H](F)CN(CC)CC 1128534115 VXZXSAMCKWYGFJ-GFCCVEGCSA-N 300.378 -0.879 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)C(=O)C(C)(C)C)C1 1128839273 ZBQHMUMLKZSXED-NEPJUHHUSA-N 303.366 -0.132 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)CN(C)C(C)C)C1 1129460227 HIDQZOANWPSZSB-KGLIPLIRSA-N 304.398 -0.407 30 20 DBED C#CCN1CC[C@H](c2n[nH]cc2CNC(=O)CN(C)C(C)=O)C1 1130345936 ZLWCDFFVXDYIGZ-ZDUSSCGKSA-N 317.393 -0.073 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)c1ncc(OC)cn1 1131129529 AZXAZDMGEMTWCQ-SNVBAGLBSA-N 307.354 -0.505 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)CN2CCOCC2=O)CC[C@@H]1C 1132900182 CBHZZSKSXKJGHL-LSDHHAIUSA-N 321.421 -0.057 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)c1cc(COC)on1 1134911415 WZCSECCUAVJLKE-JTQLQIEISA-N 310.354 -0.169 30 20 DBED C=C(Cl)CNCCNC(=O)[C@H](CCC(N)=O)NC(C)=O 1135387348 QCDRAZUNSHOAJQ-JTQLQIEISA-N 304.778 -0.785 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)[C@@H]1CCO[C@@H]1C 1135780766 INMTUIBEQIBWFI-CHWSQXEVSA-N 310.398 -0.121 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(CC(=O)NCC#N)CCCO1 1149640882 VTHYLOBHSGVZLO-AWEZNQCLSA-N 320.393 -0.363 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)Cc1c(C)noc1C 1150812661 RSVAZRTZRNQSHS-NSHDSACASA-N 306.366 -0.322 30 20 DBED C#CCCN1CCCO[C@H](CNC(=O)C[C@@H]2CC(=O)NC2=O)C1 1150830653 IAFNRSJCNJXJNB-CHWSQXEVSA-N 321.377 -0.730 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1c(C)nn2cccnc12 1151337115 PPVAHWPACYRVOE-UHFFFAOYSA-N 314.349 -0.893 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)[C@@]1(F)CCOC1 1154826356 VTLYLWIPHHCEPT-BXUZGUMPSA-N 314.361 -0.419 30 20 DBED C=CCNC(=O)CN(CC)[C@H](C)CNC(=O)[C@@]1(C)CCNC1=O 1155211565 UGPWSIHPOZSTOT-WBMJQRKESA-N 324.425 -0.359 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)Cc1ccn(CC)n1 1158449703 HJSMDYYYONOYQX-ZDUSSCGKSA-N 319.409 -0.321 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)c1cc(C)nnc1C 1158909205 LZVANKYVBOWNRA-CYBMUJFWSA-N 317.393 -0.059 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@@H]1CCCN(CCC)C1 1164449025 AUOUMFKAGNESFF-OAHLLOKOSA-N 322.453 -0.046 30 20 DBED C[C@H](NCC1(CCNC(=O)C#CC2CC2)CC1)C(=O)NC(N)=O 1164479775 WXPXQPKBNRKLQO-NSHDSACASA-N 320.393 -0.141 30 20 DBED C#CCNC(=O)CNCCCNC(=O)Cn1cc(Cl)cn1 1167412775 CIHDUXMMKULBOY-UHFFFAOYSA-N 311.773 -0.618 30 20 DBED C=CCNC(=O)CNCCCNC(=O)c1cn(CC=C)nn1 1167832077 SVTJCOVQWVEGID-UHFFFAOYSA-N 306.370 -0.524 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1cc(CC)nn1C 1169089390 CIZGAKAVLBZHLL-UHFFFAOYSA-N 305.382 -0.559 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)c1cccn(C)c1=O 1171544377 WQAGAAIWGCTZBO-LBPRGKRZSA-N 318.377 -0.767 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CCC(=O)NC2)[C@H]1C 1179040688 GSBJMLVOSLRNDU-AVGNSLFASA-N 322.409 -0.606 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2ccc(C)n2C)C1 1180930352 BKABTKVEPRTIEY-CYBMUJFWSA-N 302.378 -0.113 30 20 DBED C[C@H]1CN(C(=O)CN2CCNC(=O)C2)CC[C@H]1CNCC#N 1184924731 VVXVGHHYSVGGPF-STQMWFEESA-N 307.398 -0.984 30 20 DBED C=C(C)CNCc1cn([C@@H]2CCCN(C(=O)CC(N)=O)C2)nn1 1185898571 DSRAFCTZZHBYEZ-CYBMUJFWSA-N 320.397 -0.017 30 20 DBED C=CCOCCN[C@@H]1CCN(C(=O)COCc2nncn2C)C1 1186717138 BQCPRHVSXYVITA-CYBMUJFWSA-N 323.397 -0.275 30 20 DBED CCCN(C)CCC(=O)N1CC[C@@H](NCC(=O)NCC#N)C1 1187276927 XFDMASJRWCXDSV-CYBMUJFWSA-N 309.414 -0.451 30 20 DBED C=CCNC(=O)[C@H](C)N(C)[C@H]1CCN(C(=O)c2cn(C)nn2)C1 1189964731 VHZOJCMHSBXJBJ-RYUDHWBXSA-N 320.397 -0.348 30 20 DBED CO[C@@H](C(=O)N1CC[C@@H](N(C)CC(=O)NCC#N)C1)C1CCC1 1191586861 OWMSKNJWFWKSNE-UKRRQHHQSA-N 322.409 -0.026 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)/C=C/C2CC2)C1 1192069961 IXYIFYSLGITKHK-OMJKLNAISA-N 307.394 -0.195 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)c2cc[nH]c2C)C1 1192078870 QWJBHUCVJUBKGP-IACUBPJLSA-N 318.377 -0.764 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2ccncn2)C1 1192969345 HWTYHIGCYMPBSX-LBPRGKRZSA-N 303.366 -0.075 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)CCn2ccccc2=O)C1 1193513391 AXLZBXADKDIHFR-ZIAGYGMSSA-N 303.362 -0.577 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC2(C)C)C1 1195518268 PWEWHHMRWCADAW-JHJVBQTASA-N 309.410 -0.114 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCCN(C(=O)Cn2ccnc2)CC1 1198367930 FBNREZSMRNRMBU-CQSZACIVSA-N 317.393 -0.445 30 20 DBED C#CCN[C@H](CNC(=O)Cn1ncnn1)c1ccccc1OC 1198733254 ZZJYOKJXLVIHJD-CYBMUJFWSA-N 314.349 -0.238 30 20 DBED CN1CC[C@H](CC(=O)N2CCCO[C@@H](CNCC#N)C2)C1=O 1200778761 VYTWEEHIJMUEQC-OLZOCXBDSA-N 308.382 -0.415 30 20 DBED CC(C)S(=O)(=O)CC(=O)N1CCCO[C@H](CNCC#N)C1 1202096589 CUJHBBWYUJYPHR-GFCCVEGCSA-N 317.411 -0.460 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CCN(C(=O)c2ccncn2)CC1 1202999319 SVIZDDFYHSJKEA-GFCCVEGCSA-N 315.377 -0.191 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)CN(C)CCC)CC1 1203456180 QVNHNPZWPASDLQ-UHFFFAOYSA-N 308.426 -0.342 30 20 DBED C#CCNC1CCN(C(=O)CCNC(=O)c2cnccn2)CC1 1203763631 XAEMDWHASNEMNL-UHFFFAOYSA-N 315.377 -0.190 30 20 DBED COCC#CCNCC1CCN(C(=O)[C@H]2CNC(=O)N2)CC1 1206086789 LWKBCQZEXRXGGP-CYBMUJFWSA-N 308.382 -0.854 30 20 DBED Cc1cc(C(=O)N2C[C@@H](NCC(=O)NCC#N)[C@H](C)C2)n(C)n1 1214227033 KSODTPQGCLJZML-ZYHUDNBSSA-N 318.381 -0.582 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H](C)CC(N)=O)C[C@H]1C 1215314126 FEVJTCJTAMMIRZ-QJPTWQEYSA-N 310.398 -0.763 30 20 DBED COCC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CCOC1 1217420845 RLKSUIBQLKLACA-QLFBSQMISA-N 308.378 -0.416 30 20 DBED C#CCOCCC(=O)N1CCO[C@@H]2CN([C@H](C)C(=O)NC)C[C@@H]21 1217887898 UTYJWQNLMHUQHT-HZSPNIEDSA-N 323.393 -0.928 30 20 DBED C=CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CCCCNC(N)=O 1218252785 JGNWBWSCDQDXNQ-QWHCGFSZSA-N 310.398 -0.077 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)CCNC(=O)C2CCCCC2)C1 1220531944 FKFAKHUFVOUBED-CABCVRRESA-N 321.421 -0.133 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3n[nH]cc3F)[C@@H]2C1 1221795441 ZMCVIXVFXRYZER-ZYHUDNBSSA-N 319.340 -0.556 30 20 DBED N#CCN1CC[C@@H]2CN(C(=O)CNC(=O)c3cscn3)[C@@H]2C1 1221923272 UUZUPZRYFGAVDP-ZYHUDNBSSA-N 319.390 -0.071 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1CCN(Cc2nnnn2C)CC1 1222975106 MZCYIZSNQZPYME-OAHLLOKOSA-N 322.413 -0.135 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCCC[C@H]1NC(=O)c1cnn[nH]1 1227268727 GVWHYCCGPQIDDY-QJPTWQEYSA-N 318.381 -0.427 30 20 DBED C#CCN1CCS(=O)(=O)[C@@H](CCNC(=O)COCC)C1 1230413596 RXDXRWBRIYMXRW-LBPRGKRZSA-N 302.396 -0.739 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N1CC[C@@H](N2CCOC2=O)C1 1261710585 CUBVSMLAQXIASM-WDEREUQCSA-N 311.338 -0.643 30 20 DBED O=C1C=CC=N/C1=C(/O)NCCN1C(=O)[C@@H]2CSCN2C1=O 1262199624 USJDBROVNNJDER-PNLVODKCSA-N 322.346 -0.150 30 20 DBED C=CCNC(=O)Cn1nnnc1N1CCC2(CCOCC2)C1 1262410136 VTCHBNBFOFWYKK-UHFFFAOYSA-N 306.370 -0.018 30 20 DBED C#CCNC(=O)CNC[C@H]1CCCN1C(=O)c1nn(C)cc1C 1267954956 DVLONZZJEGHUPX-CYBMUJFWSA-N 317.393 -0.328 30 20 DBED COC(=O)c1cc(C#N)c(=O)n(CCCN2C(=O)CNC2=O)c1 1317979953 RBRKQRKTOUEUHO-UHFFFAOYSA-N 318.289 -0.552 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)NCCNC(=O)C(C)(C)C 1322614054 YAAPHYUNZSRRDH-UHFFFAOYSA-N 305.378 -0.250 30 20 DBED CCN(CC(=O)NC)C(=O)CCN/C(O)=C1\N=CC=CC1=O 1323411619 ONIQTELYFBHRQA-BUHFOSPRSA-N 308.338 -0.503 30 20 DBED CCN(CCC#N)C(=O)COC(=O)CC[C@H]1NC(=O)NC1=O 1323932311 UYEQYNZWIRCXMT-SECBINFHSA-N 310.310 -0.720 30 20 DBED C=CCNC(=O)CNC(=O)N1CCc2c(nnn2CCOC)C1 1324445108 XAGWQQSFEMMISU-UHFFFAOYSA-N 322.369 -0.706 30 20 DBED CN1C[C@H](NC(=O)C(=O)NCc2ccc(C#N)c(F)c2)CC1=O 1326344027 FTIWXHZCKLUTOF-LLVKDONJSA-N 318.308 -0.340 30 20 DBED CCOC(=O)C[C@H]1CCCN1C(=O)C(=O)N1CCO[C@@H](C#N)C1 1326989678 BLOYSCNLVVYIKN-NEPJUHHUSA-N 323.349 -0.318 30 20 DBED C#CC1CCN(C(=O)C(=O)N2CCO[C@H](C(=O)OC)C2)CC1 1327025103 RYNJVASXMIYWIT-LBPRGKRZSA-N 308.334 -0.741 30 20 DBED Cn1ncc(C(=O)N[C@H]2CCCN(O)C2=O)c1-n1cnnc1 1327111739 DGWZEERPZTVVNJ-VIFPVBQESA-N 305.298 -0.889 30 20 DBED N#C[C@]1(F)CCN(C(=O)C(=O)N2CCN([C@H]3CCOC3)CC2)C1 1327353741 PZQAVJGDXRZYAJ-SWLSCSKDSA-N 324.356 -0.616 30 20 DBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCC(=O)NCC1CC1 1327751626 GTVZGLKIRRDLCC-JSGCOSHPSA-N 323.393 -0.274 30 20 DBED CN1CCN(CCCN(C)C(=O)C(=O)NCCCCC#N)CC1 1328618089 YKPVJOIQPKHTCT-UHFFFAOYSA-N 323.441 -0.108 30 20 DBED COC[C@@H](CCO)NC(=O)C(=O)Nc1cc(C)c(C#N)cn1 1332890863 AXJSBDXLKVAUSW-LLVKDONJSA-N 306.322 -0.286 30 20 DBED C=CCC1(O)CCN(C(=O)C(=O)N2CCNC(=O)C[C@H]2C)CC1 1335511059 KTIGBMRKFNVVAY-GFCCVEGCSA-N 323.393 -0.347 30 20 DBED C#Cc1cccc(NC(=O)CNC(=O)CN2C(=O)CNC2=O)c1 1337629939 XUYZFKMVCUDPDH-UHFFFAOYSA-N 314.301 -0.726 30 20 DBED C=CCS(=O)(=O)CCNC(=O)[C@H]1CN2CCN1C[C@@H]2C 1348223246 SAOZONCBUNYNKB-NWDGAFQWSA-N 301.412 -0.908 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N(C)Cc1cn(C)nn1 1349485323 FPFHITKDMWAANS-LLVKDONJSA-N 307.354 -0.682 30 20 DBED C=CCN(C(=O)C(=O)NC[C@@]1(OC)CCOC1)[C@@H](C)COC 1350842131 AKXSFYAWRFWDLL-WFASDCNBSA-N 314.382 -0.042 30 20 DBED CC(C)n1ccc(CNC(=O)Cn2cc(C#N)c(O)nc2=O)n1 1361893138 LJZMVGNZVCTWKC-UHFFFAOYSA-N 316.321 -0.086 30 20 DBED N#Cc1ccc(NCC(=O)NC[C@H]2CCN(C(N)=O)C2)nc1 1363167897 KGOHQRJEGOFVDY-LLVKDONJSA-N 302.338 -0.118 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(CC(=O)NC2CCCC2)C1 1368292105 XCSOHZYXQCANIE-LLVKDONJSA-N 308.382 -0.632 30 20 DBED CNC(=O)NCC(=O)N[C@@H](CNC(=O)[C@@H](C)C#N)C1CCCC1 1400833986 JJZCZMOFVPEFHZ-JQWIXIFHSA-N 323.397 -0.134 30 20 DBED CNC(=O)NCCC(=O)NC1CN(C(=O)c2c[nH]c(C#N)c2)C1 1409048880 PHJNLAXIWVILOJ-UHFFFAOYSA-N 318.337 -0.854 30 20 DBED Cc1noc(C)c1CC(=O)N(C)C[C@@H](O)CNC(=O)[C@H](C)C#N 1413261584 VMOIITDTRKDGDJ-SKDRFNHKSA-N 322.365 -0.071 30 20 DBED N#Cc1cccc([C@H](O)CN2C[C@@H](C(N)=O)[C@H](C(N)=O)C2)c1 1422056370 YFGCCMAVTKIQHJ-JHJVBQTASA-N 302.334 -0.890 30 20 DBED C=C(Cl)CN1CC(O)(CNC(=O)CCNC(=O)NC)C1 1423826871 QRVNDUZZQHZWTM-UHFFFAOYSA-N 304.778 -0.779 30 20 DBED CO[C@@H](C)C(=O)NC[C@H](O)CN(C)C(=O)c1cc(C#N)c[nH]1 1425779627 SJIDAJMCJIMVTN-ONGXEEELSA-N 308.338 -0.530 30 20 DBED C=C(Cl)CNC[C@H](O)CNC(=O)[C@H]1CCCS1(=O)=O 1439064598 WXLXUPAMNYKUNP-VHSXEESVSA-N 310.803 -0.617 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)c2ccc(O)nn2)C1 1454070514 UTCLDGDBBKGDJM-YMTOWFKASA-N 319.321 -0.965 30 20 DBED N#Cc1cnn(-c2ccc(C(=O)NC[C@@H](O)CO)cc2)c1N 1456723469 XPIYGNFMLXQBLV-GFCCVEGCSA-N 301.306 -0.591 30 20 DBED Cc1nnc(N2CCO[C@@H](C#N)C2)n1CC(=O)N1CCOCC1 1460427277 HMMMBNAVFWSSJH-LBPRGKRZSA-N 320.353 -0.826 30 20 DBED N#CC1(CNC(=O)c2cnn(C[C@@H](O)CO)c2)CCOCC1 1472339211 XMCLSAWNNJFLRG-GFCCVEGCSA-N 308.338 -0.714 30 20 DBED CCn1nncc1C(=O)N[C@@H]1CCCN(CC(=O)NCC#N)C1 1481525310 RKMOLRKPPPMPSR-LLVKDONJSA-N 319.369 -0.868 30 20 DBED C[C@@H](CN(C)Cc1nnnn1C)NC(=O)c1cc(C#N)c[nH]1 1483323014 DHNAEOARILYHJY-VIFPVBQESA-N 302.342 -0.340 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(O)nn2)C1 1495131378 NGGMZLXGZYBRCQ-ZJUUUORDSA-N 303.322 -0.080 30 20 DBED C=CCn1c([C@@H]2CC(=O)N(C)C2)nnc1N(C)CCC(=O)NC 1519552625 YJBKRVHIWAIUFD-LLVKDONJSA-N 320.397 -0.018 30 20 DBED CC(=O)N1CCC[C@H](C(=O)N2CC(NC(=O)[C@H](C)C#N)C2)C1 1530618520 TXHBYLUSIFNFBD-PWSUYJOCSA-N 306.366 -0.268 30 20 DBED CN(CCNC(=O)c1cccn2nnnc12)c1nccnc1C#N 1565599797 NITFTUCYFKEWKB-UHFFFAOYSA-N 323.320 -0.348 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)Cn2nccc2C)C1 1566675166 PDVIYYNXKYLEIQ-ZDUSSCGKSA-N 303.366 -0.869 30 20 DBED C=C(C)C(C)(C)C(=O)N[C@H](CO)CNC(=O)CNC(=O)O 1573321682 PLNICEVZJHRNEU-VIFPVBQESA-N 301.343 -0.550 30 20 DBED N#Cc1cn(CCNC(=O)CC2(C(=O)O)CCC2)c(=O)nc1O 1574248047 AKIQATMPKOLBSB-UHFFFAOYSA-N 320.305 -0.418 30 20 DBED C#CCN(CC(=O)O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1588408678 YPNXYRABMYVDKA-SEYXRHQNSA-N 320.305 -0.758 30 20 DBED C#CCN(CC(=O)O)c1nnc(C[C@@H]2CCCCNC2=O)n1C 1588426968 INSMJGHETUEPKL-NSHDSACASA-N 319.365 -0.202 30 20 DBED CC#CC[C@H](CO)NS(=O)(=O)c1ccc(-c2nn[nH]n2)o1 1588737102 AQSGSGJXYZRORX-MRVPVSSYSA-N 311.323 -0.488 30 20 DBED C=CCOC[C@H](NC(=O)CSc1n[nH]c(C)n1)C(=O)O 1588856419 IMPIDEBXPCKQBA-QMMMGPOBSA-N 300.340 -0.023 30 20 DBED CNC(=O)[C@@H](Nc1cnc(-c2nn[nH]n2)c(C#N)n1)C(C)C 1591212640 FQGIUMBWOUYFRU-VIFPVBQESA-N 301.314 -0.289 30 20 DBED C#CCOCCC(=O)N(C)C1CN(C(=O)[C@@H]2C[C@@H]2C(=O)O)C1 1602728406 UPBXTRRWRQIHGL-NEPJUHHUSA-N 308.334 -0.584 30 20 DBED C=CCn1cc(C(=O)N2CC(NC(=O)[C@@H]3C[C@H]3C(=O)O)C2)nn1 1602937587 AZYLUBRJEYLYRE-NXEZZACHSA-N 319.321 -0.875 30 20 DBED COC(=O)[C@@H]1CN(c2cnc(-c3nn[nH]n3)c(C#N)n2)C[C@H]1C 1604958993 IFVSYTHQFZGUSA-HTQZYQBOSA-N 314.309 -0.226 30 20 DBED C=CCOC[C@H](NC(=O)C[C@H]1CCCS(=O)(=O)C1)C(=O)O 1609432345 OOCLETINYPKVQS-MNOVXSKESA-N 319.379 -0.027 30 20 DBED N#Cc1nc(NC(=O)COC[C@H]2CCCO2)[nH]c1-c1nn[nH]n1 1609496487 PCVCVMPIFAPCPD-SSDOTTSWSA-N 318.297 -0.404 30 20 DBED CCOCc1nnc(N(C)C[C@@H](C)C#N)n1Cc1nnn(C)n1 1616675922 AXWRMCNQRNOCGK-JTQLQIEISA-N 319.373 -0.018 30 20 DBED CCS(=O)(=O)N1CCC(C(=O)N2CCOC[C@H]2C#N)CC1 1645576223 MQUOXHZECADYKO-GFCCVEGCSA-N 315.395 -0.201 30 20 DBED CCOCCNC(=O)CNC[C@H]1CCCN1C(=O)[C@H](C)C#N 1671281208 SADHLVOEIHOPNM-CHWSQXEVSA-N 310.398 -0.121 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1[C@H]2COC[C@H]21 1753422511 AFPZGHUAVOLCTC-XOBFJNJYSA-N 305.378 -0.534 30 20 DBED C#CCNC(=O)CN1CC[C@@H](N(C)C(=O)c2cn(C)nc2C)C1 1753433726 MPXMPRCQTCIXMP-CYBMUJFWSA-N 317.393 -0.376 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H](CC)CNC(=O)c1n[nH]c(C)c1O 1753470788 YUTSKHFKJGSAQK-GHMZBOCLSA-N 321.381 -0.340 30 20 DBED N#CCNCC[C@@H]1CCCCN1C(=O)[C@@H]1CC(=O)NC(=O)N1 1753786681 ZQNUCUNPMUSONU-QWRGUYRKSA-N 307.354 -0.531 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@H](O)CNCc1cnc(C)nc1 1753910434 WSUIRBJZAJWMCJ-ZFWWWQNUSA-N 308.382 -0.321 30 20 DBED C#CCNC(=O)CNC[C@H](O)CNC(=O)c1cccc(Cl)c1 1753935906 XXMPOXIGRICPQI-ZDUSSCGKSA-N 323.780 -0.230 30 20 DBED C#CCNC[C@H](O)CNC(=O)C[C@H](C)NC(=O)C1CCCC1 1753950062 YXIZLKLVWVRFBV-JSGCOSHPSA-N 309.410 -0.229 30 20 DBED C#CCNC(=O)CN(C)C[C@@H](C)NC(=O)c1ccc(C(N)=O)o1 1754315106 HKQDPXMQPHIIGJ-SNVBAGLBSA-N 320.349 -0.822 30 20 DBED CNC(=O)NC(=O)[C@H](C)N1CC[C@H]1CNC(=O)C#CC1CC1 1754483004 DTMOTSMSDNUGSG-JQWIXIFHSA-N 306.366 -0.566 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC(N(C)C(=O)CCCN(C)C)C1 1754582507 UBMREYWUUBTUMJ-CYBMUJFWSA-N 308.426 -0.391 30 20 DBED N#CCNC(=O)CNC[C@@H]1CCCN1C(=O)c1cscn1 1754607350 ZOANBNOLLZLFHP-JTQLQIEISA-N 307.379 -0.023 30 20 DBED N#CCN1CC[C@@H](N2CCN(C(=O)C(=O)NCC3CC3)CC2)C1 1754665238 MZHQQOKBDACLCX-CQSZACIVSA-N 319.409 -0.745 30 20 DBED C#CCCN[C@@H](C)[C@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 1754790427 FZHKHPZOJMOQJB-RYUDHWBXSA-N 318.381 -0.773 30 20 DBED Cn1ncc(CCC(=O)NCCN2CCC(NCC#N)CC2)n1 1754850587 NMHCUTNLHBICTN-UHFFFAOYSA-N 319.413 -0.559 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)[C@@H](C)CS(C)(=O)=O 1754973823 GUTVJXUGMXXWPA-NWDGAFQWSA-N 302.396 -0.883 30 20 DBED C#CCNC(=O)CN[C@H]1CN(C(=O)c2cnn(CC)n2)C[C@@H]1C 1755108480 GRLXRMWCWNAMBD-AAEUAGOBSA-N 318.381 -0.903 30 20 DBED C#CCNC(=O)CN[C@H](C)[C@@H](C)NC(=O)CCc1cn[nH]c1 1755258542 ZVZXZXZEONAVLT-VXGBXAGGSA-N 305.382 -0.426 30 20 DBED C=CCN1CC[C@@H](N2CC(CCO)(NC(=O)C(F)F)C2)C1=O 1755330856 ZXWSEOIBBYXZKI-SNVBAGLBSA-N 317.336 -0.409 30 20 DBED C#CCN[C@H]1C[C@H](C)N(C(=O)CCCn2c(O)nnc2O)C1 1755680209 DVHBPCRIAXMNDS-QWRGUYRKSA-N 307.354 -0.318 30 20 DBED C#CCOCCC(=O)NCC1=CCN([C@H](C)C(=O)NC)CC1 1755886544 LAHBETHZGAUIHW-CYBMUJFWSA-N 307.394 -0.091 30 20 DBED C=C(C)CCC(=O)NC1(CCO)CN(C(=O)[C@H]2CCC(=O)N2)C1 1756083008 JPDDKTYJWDJXAT-GFCCVEGCSA-N 323.393 -0.299 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(CCO)(NC(=O)[C@@H]2CC23CC3)C1 1756089155 YDPIOZIBWUSLGP-STQMWFEESA-N 320.389 -0.096 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H](CO)CNC(=O)CC(C)C 1756502561 PALBJJUEHZQICG-KGLIPLIRSA-N 309.410 -0.277 30 20 DBED O=C(C#CC1CC1)N[C@@H](CO)CNC(=O)c1cncc(F)c1 1756511490 BFTBHWCWBFPHJG-CYBMUJFWSA-N 305.309 -0.159 30 20 DBED C=CCOCC(=O)N(C)C[C@H](O)CNC(=O)c1ccn(C)c1 1756656327 ONXGSUJYYVYHDX-CYBMUJFWSA-N 309.366 -0.223 30 20 DBED C=CC(C)(C)C(=O)N1CC2(CCN(C(=O)CNC(N)=O)C2)C1 1756833687 BMPBHTSUYWYXPR-UHFFFAOYSA-N 308.382 -0.072 30 20 DBED C=CCOCC(=O)N1CC[C@H](NC(=O)c2ccccn2)[C@H](O)C1 1757560382 UYHFSVBMFWDHAL-GXTWGEPZSA-N 319.361 -0.024 30 20 DBED COC(=O)c1c[nH]nc1S(=O)(=O)N[C@H](CCC#N)C(=O)O 1777131137 KXAJEPINQRYUQL-SSDOTTSWSA-N 316.295 -0.768 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc[n+]([O-])cc1)CCO2 1783055034 SATVQUFMUPMIEB-INIZCTEOSA-N 315.329 -0.603 30 20 DBED C#CC(=O)N1CCO[C@]2(CCN(C(=O)C3(C(=O)OC)CC3)C2)C1 1783219196 RTBWPFLFCHBPLA-OAHLLOKOSA-N 320.345 -0.597 30 20 DBED C=CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1C=CCN1)CCO2 1783912900 FAFMZWXVOVFEFF-XJKSGUPXSA-N 305.378 -0.080 30 20 DBED CC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CC#N)COC1 1795077737 ZIYLVEMNYZDRHA-PTEHBNRSSA-N 307.350 -0.474 30 20 DBED C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1CCC(=O)NC1)C2 1801595163 YBISUBCVLVERSM-FVCCEPFGSA-N 303.362 -0.216 30 20 DBED Cn1nncc1C(=O)N1CCCC12CN(C(=O)CCC#N)C2 1842133056 COIQHMQTCADPPA-UHFFFAOYSA-N 302.338 -0.064 30 20 DBED C[C@H](S)C(=O)N1CC2(CCCN2C(=O)[C@@H](C)n2cnnn2)C1 1846648480 DVZQWHZZENXPGA-ZJUUUORDSA-N 324.410 -0.244 30 20 DBED C=CCNC(=O)[C@H](C)OC(=O)CN1C(=O)N[C@@](C)(CC)C1=O 24078870 BTKLZYQMAFWMNS-XPTSAGLGSA-N 311.338 -0.059 30 20 DBED C[C@H](C(=O)N(C)CCC#N)N1CCN(CC(=O)N(C)C)CC1 72878586 MUYDIYNOQHNESW-CYBMUJFWSA-N 309.414 -0.547 30 20 DBED C#CCN1CCN(C(=O)CN2CCS[C@@H]3COCC[C@@H]32)CC1 135546776 WLKBCUJPAADVSL-LSDHHAIUSA-N 323.462 -0.030 30 20 DBED C#C[C@@H](C)NS(=O)(=O)c1ccccc1S(=O)(=O)NC 195473818 NLKBRVBRUPVRAZ-SECBINFHSA-N 302.377 -0.105 30 20 DBED COC[C@](C)(C#N)NC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 268603238 FKRRFTQJAZUYHA-ZDUSSCGKSA-N 324.362 -0.471 30 20 DBED CCOC(=O)CO/N=C(/C(=O)NC[C@@H](O)C1CC1)c1cc[nH]n1 278441794 FIESYSBQYAVPHQ-RJYNFHTFSA-N 324.337 -0.419 30 20 DBED C=CCN1CC[C@H](N(C)S(=O)(=O)N(C)CCOC)C1=O 281678377 YEFGUHZVIIFPNI-NSHDSACASA-N 305.400 -0.472 30 20 DBED C#CCNC(=O)c1ccc(NCCCCS(N)(=O)=O)nc1 292828591 PMXMARPQVVYEBN-UHFFFAOYSA-N 310.379 -0.075 30 20 DBED CN1CCOC[C@@H]1C(=O)N(CCC#N)CCN1CCOCC1 328991595 DHSCRCNRFNHWPP-CQSZACIVSA-N 310.398 -0.609 30 20 DBED COCCn1ccc(N/C(O)=N/CC(=O)N2CCOCC2)n1 330688185 USNFQJGRYTWQGG-UHFFFAOYSA-N 311.342 -0.286 30 20 DBED CC(C)[C@H](C/N=C(/O)N1CCO[C@H](CO)C1)N1CCOCC1 331170063 HYAXPYSVWGFICF-KBPBESRZSA-N 315.414 -0.050 30 20 DBED CN(C)S(=O)(=O)NCC/N=C(/O)NC[C@H]1CCCS1 331321638 FHBKHQNVYDHOFJ-SECBINFHSA-N 310.445 -0.218 30 20 DBED C[C@H](O)C[C@H]1COCCN1S(=O)(=O)N(C)C[C@H](C)C#N 336938597 HRCYEALQPWORGH-WOPDTQHZSA-N 305.400 -0.206 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CCN(C[C@@H](C)O)CC1 337154275 MVIGUATUDVWURX-GFCCVEGCSA-N 304.416 -0.535 30 20 DBED CN(CCC#N)S(=O)(=O)N1CCC[C@@H](CS(C)(=O)=O)C1 340176738 DLZOAEGBTUXBJI-LLVKDONJSA-N 323.440 -0.167 30 20 DBED C=CCNS(=O)(=O)c1cccc(C(=O)Nc2nn[nH]n2)c1 342859537 RHLJNQDFRORIBT-UHFFFAOYSA-N 308.323 -0.084 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCCc2ncc[nH]2)C1=O 345160665 IKTBYWZRZBHGLC-UHFFFAOYSA-N 305.294 -0.955 30 20 DBED CCN(CCCO)C(=O)C(=O)Nc1nn(C(C)C)cc1C#N 359248902 WVYHYKOVKPDIPA-UHFFFAOYSA-N 307.354 0.505 30 20 DBED CC(C)(NS(C)(=O)=O)C(=O)NC[C@@H]1CCCN(CC#N)C1 359414146 PECJBJWNYDLBRD-NSHDSACASA-N 316.427 -0.334 30 20 DBED C=C[C@H](CO)NC(=O)NC[C@H]1CCCCN1S(C)(=O)=O 359573628 WEWRAIILTIDWFB-GHMZBOCLSA-N 305.400 -0.353 30 20 DBED CC1(C)NC(=O)N(CCCC(=O)N2CCOC[C@H]2C#N)C1=O 362404816 BUDDEXXFQQMMAZ-SNVBAGLBSA-N 308.338 -0.152 30 20 DBED Cn1c(N2CCC3(CCOCC3)C2)c(C#N)c(=O)n(C)c1=O 374119163 GKWMDGUYQSQWHU-UHFFFAOYSA-N 304.350 -0.037 30 20 DBED COC(=O)[C@H]1C[C@@H](O)CN1CC(=O)NCc1cccc(C#N)c1 376997748 PKYWIJHUHKJMGA-ZIAGYGMSSA-N 317.345 -0.217 30 20 DBED C[C@H]1CN(C(=O)C(=O)NCCOc2ccc(C#N)cc2)C[C@@H]1N 419458149 BEJZVMNAMSVNAZ-FZMZJTMJSA-N 316.361 -0.141 30 20 DBED C=CCn1cc(CNC(=O)NCCC(=O)N2CCOCC2)nn1 425411932 BDDRTLIFPOQOIO-UHFFFAOYSA-N 322.369 -0.488 30 20 DBED COC1(C)CN(C(=O)C(=O)Nc2cc(C)n(CCC#N)n2)C1 440495177 BFOSPQPBUJDXAF-UHFFFAOYSA-N 305.338 0.291 30 20 DBED CN(C(=O)C(=O)Nc1ccc(F)cc1C#N)[C@H]1CCNC1=O 442258342 WIJHPKFRFCEHJX-NSHDSACASA-N 304.281 -0.017 30 20 DBED C#CCN1CCN(C(=O)CN(C)CCc2cnccn2)CC1 490922474 DWKQKOPFODDPEC-UHFFFAOYSA-N 301.394 -0.272 30 20 DBED CC(C)(O)C(C)(C)CNS(=O)(=O)N1CCO[C@@H](C#N)C1 516878240 DMOMUQVHGLPBOJ-JTQLQIEISA-N 305.400 -0.158 30 20 DBED N#Cc1ncn(CC(=O)N[C@]2(CO)COc3ccccc3C2)n1 529822588 SQFVKQYYJJYVBJ-OAHLLOKOSA-N 313.317 -0.368 30 20 DBED COC(=O)[C@@H](O)CNS(=O)(=O)Cc1ccc(F)cc1C#N 570583149 WANVLPALSOYSKU-NSHDSACASA-N 316.310 -0.349 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)NC[C@](C)(CC(=O)O)C(=O)O 577223847 KNWLHZLNJBUJAN-KCJUWKMLSA-N 321.355 -0.380 30 20 DBED COC(=O)[C@H]1C[C@H](O)CN(Cc2cnc3c(C#N)cnn3c2)C1 592528739 BAKGGZKAOPEFOR-AAEUAGOBSA-N 315.333 -0.043 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N(C)[C@@H]1CCC(=O)N(C)C1 601457862 FZNUWYUBOVDCHE-GHMZBOCLSA-N 302.400 -0.125 30 20 DBED N#CCCN1CCN(C(=O)C(=O)N2CC[C@H](CCCO)C2)CC1 601497013 MHGJPDXYAFMVAJ-AWEZNQCLSA-N 322.409 -0.335 30 20 DBED C[C@@H](CN1CCOCC1)NC(=O)N1CCN(CCC#N)CC1 601549462 GYGDHHHDWXJFAA-AWEZNQCLSA-N 309.414 -0.052 30 20 DBED C[C@H](NC(=O)N1CCN(CCC#N)CC1)[C@H]1CN(C)CCO1 601585653 JIHJJXQARSOJED-UONOGXRCSA-N 309.414 -0.054 30 20 DBED COCc1cc(C#N)ccc1N1CCN2C(=O)C(=O)NC[C@H]2C1 603306305 BWZQMMHISFLRQV-ZDUSSCGKSA-N 314.345 -0.148 30 20 DBED COCCNS(=O)(=O)c1c[nH]c(C(=O)NC[C@H](C)C#N)c1 610258075 WHTGSGVCUVHRBX-SECBINFHSA-N 314.367 -0.171 30 20 DBED N#C[C@H]1CN(S(=O)(=O)N2CCC[C@@H](CCO)C2)CCO1 619710451 QJYBYABPQBANJB-RYUDHWBXSA-N 303.384 -0.450 30 20 DBED COCC#CCN1CCN(S(=O)(=O)CCCOC)CC1 677819047 PDJPLPAHYWVHGI-UHFFFAOYSA-N 304.412 -0.380 30 20 DBED COCC#CCOC(=O)CCNS(=O)(=O)c1cccnc1 762789174 USAGATNBNJABHS-UHFFFAOYSA-N 312.347 -0.057 30 20 DBED C#C[C@H](NC(=O)c1ccc(S(=O)(=O)NC)nc1)[C@@H]1CCCO1 775322742 GCTQHWXMCNZMFA-RYUDHWBXSA-N 323.374 -0.100 30 20 DBED C#CCCCNC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 806785686 QAYRIZNZIHPNMK-UHFFFAOYSA-N 308.426 -0.342 30 20 DBED CN(C)c1c(C=NNc2cncnc2)c(=O)n(C)c(=O)n1C 807987408 KYCZFGJHJMJXPY-UHFFFAOYSA-N 303.326 -0.614 30 20 DBED C=C[C@](C)(O)CC(=O)NCCS(=O)(=O)N1CCOCC1 810272271 BHENGUPWOAWUNR-LBPRGKRZSA-N 306.384 -0.908 30 20 DBED CC#CCS(=O)(=O)NC(=O)CN1C(=O)COc2ccccc21 810773649 KCWVEMXBTPFRDR-UHFFFAOYSA-N 322.342 -0.119 30 20 DBED C=CCOCCOC(=O)CNS(=O)(=O)c1cn(C)c(C)n1 815199857 FLTPTPVSWAYKIX-UHFFFAOYSA-N 317.367 -0.247 30 20 DBED CCOC(=O)C1=C(CN(CC#N)CC(=O)O)NC(=O)N[C@@H]1C 829833272 ZFGXCYJYCWHFRP-MRVPVSSYSA-N 310.310 -0.585 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)C[C@H](C)SC)CC1 831565014 LNMAYKXHOYBVFK-NSHDSACASA-N 319.452 -0.260 30 20 DBED N#C[C@H]1CNC[C@H]1NC(=O)CNC(=O)COc1ccccc1 834516890 NEFIZLZEGNEKGR-WCQYABFASA-N 302.334 -0.591 30 20 DBED CN(C)C(=O)COc1ccccc1C(=O)N[C@@H]1CNC[C@@H]1C#N 834517772 YZXQWBHIWAUWAN-WCQYABFASA-N 316.361 -0.005 30 20 DBED C=CCn1cc(C(=O)NS(=O)(=O)[C@H]2CCCOC2)nn1 842754176 KCHLPISICOOBNZ-VIFPVBQESA-N 300.340 -0.297 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCC(C)(C(=O)O)CC1)[C@@H]1CCCO1 843257481 PXIUETQUBYGRCX-RYUDHWBXSA-N 322.361 -0.003 30 20 DBED C#CCNc1nc(N[C@H]2C[C@H](O)C2)nc(N[C@H]2C[C@H](O)C2)n1 853982952 RPROKYBGRWKWSX-OJEHDFPISA-N 304.354 -0.213 30 20 DBED C=CCNC(=O)[C@H](C#N)C(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1 860471613 ODPNXYBQZXLIDF-CMPLNLGQSA-N 315.333 -0.216 30 20 DBED C#CC[C@H](NS(=O)(=O)C1(C(=O)OCC)CCC1)C(=O)OC 867388530 PEUDNANEFJXLRZ-JTQLQIEISA-N 317.363 -0.044 30 20 DBED CC(C)NCCCNC(=O)C(=O)N1CCN(CCC#N)CC1 884690558 DLJGCISJKXGFTN-UHFFFAOYSA-N 309.414 -0.451 30 20 DBED C#CCN1CCC[C@H](NC(=O)N2CCC(CO)(CO)CC2)C1 890361241 MPYADVWNDBAWOT-AWEZNQCLSA-N 309.410 -0.140 30 20 DBED C#CC1(O)CN(C(=O)Cn2ccc(Br)cc2=O)C1 890527660 KADKIORFDFGOGD-UHFFFAOYSA-N 311.135 -0.183 30 20 DBED CN1C(=O)[C@@H]2CN(C(=O)c3cccc(C#CCO)c3)C[C@@H]2C1=O 913751228 UXQHSWCCGCQYOB-OKILXGFUSA-N 312.325 -0.283 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)c2cccn2C)CC1 915690904 ULXKUBNSSOCGMY-CYBMUJFWSA-N 302.378 -0.079 30 20 DBED CN(CC(=O)[C@H](C#N)C(=O)NCc1ccccc1)S(C)(=O)=O 916889444 SAYBXSQYNWIEGX-LBPRGKRZSA-N 323.374 -0.097 30 20 DBED CC(=O)N1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)C#N 937495239 ZIJWMIJRDLQIRM-DOERSZECSA-N 318.377 -0.031 30 20 DBED O=C(Cn1ccccc1=O)N[C@H]1CCN(C(=O)C#CC2CC2)C1 937931818 CURDXGARYPNUOM-AWEZNQCLSA-N 313.357 -0.021 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCCN(C(=O)C(N)=O)C1 943546920 GAOWITJTYCZUFX-UTUOFQBUSA-N 309.366 -0.440 30 20 DBED Cc1cc(C(=O)NC[C@@H]2CN(C(=O)[C@H](C)C#N)CCO2)nn1C 944504898 OPKMLTNUKWNBFO-ZYHUDNBSSA-N 319.365 -0.155 30 20 DBED CC#CCN1CC[C@@H](NC(=O)Cn2c(O)nnc2O)C[C@H]1C 947981499 WXNPTEYEJGIIHZ-GHMZBOCLSA-N 307.354 -0.318 30 20 DBED C#CCN1CC[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)C[C@@H]1C 948010393 BGNOPUZKKPIUET-NWDGAFQWSA-N 306.366 -0.517 30 20 DBED C#CCN1CCOC2(CCN(C(=O)C[C@H]3CCC(=O)N3)CC2)C1 949489371 ABDNTVAFQGCUSF-CQSZACIVSA-N 319.405 -0.018 30 20 DBED C#Cc1cncc(C(=O)N2CC[C@H]2CNC(=O)c2ncn(C)n2)c1 949764573 TYATXOXDPQNMCE-ZDUSSCGKSA-N 324.344 -0.164 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1nc[nH]n1 951593747 LJNXAPADGCTSLI-AXFHLTTASA-N 305.338 -0.274 30 20 DBED C[C@H](C#N)C(=O)N1CC(N(C)C(=O)[C@H]2CCCS2(=O)=O)C1 954422458 RSCXWJVFVROGIN-MWLCHTKSSA-N 313.379 -0.608 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@@H](CNC(=O)c2cn(C)c(=O)cn2)C1 958271512 GAHAJVXAMSPVQQ-GXTWGEPZSA-N 320.393 -0.231 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2ccc3nonc3c2)C1 958360621 OBBONONHQALZSJ-RISCZKNCSA-N 300.318 -0.122 30 20 DBED COCc1ncsc1C(=O)NC[C@@H]1CN(CC#N)C[C@H]1O 958471414 JVRVPJWEBXSRFL-MWLCHTKSSA-N 310.379 -0.164 30 20 DBED C#CCCN1C[C@H]2[C@H](NC(=O)[C@@H]3CC(=O)N(CCOC)C3)[C@H]2C1 960169264 VAPLGTFIBVEFNY-NYTXWWLZSA-N 319.405 -0.449 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CN(C(=O)c3cncnc3O)C[C@H]2C1 961798040 XENKLUFYMYXOJV-GARJFASQSA-N 315.333 -0.128 30 20 DBED N#CCN1C[C@H]2[C@H](NC(=O)c3cc4c(O)ncnc4cn3)[C@H]2C1 962442798 SGLYNFJFXIKRKJ-IWIIMEHWSA-N 310.317 -0.086 30 20 DBED CCc1ncncc1C(=O)N[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1O 963664797 VTQWYXSHZBLWLU-WQAKAFBOSA-N 317.349 -0.500 30 20 DBED CN1CC[C@H](C(=O)NC[C@H]2COCCN2C(=O)C#CC2CC2)C1 964194619 YLVFFQJVERXNEX-GJZGRUSLSA-N 319.405 -0.305 30 20 DBED CCN(C(=O)c1cc(=O)n(C)cn1)C1CN(C(=O)[C@H](C)C#N)C1 968081702 XJUSAWORCRJQJG-SNVBAGLBSA-N 317.349 -0.387 30 20 DBED CCN(C(=O)[C@@H]1CCC(=O)NC1)C1CN(C(=O)C#CC2CC2)C1 968133176 SAZDYVSLADUVMA-CYBMUJFWSA-N 317.389 -0.015 30 20 DBED C[C@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)[C@H]1COC(=O)N1)C2 969806057 PSEONFRTIXZSOR-VPOLOUISSA-N 306.322 -0.544 30 20 DBED C#CCN1CCC(C(=O)N[C@H](C)C2CN(CC(=O)NC)C2)CC1 970926747 XBEPUJNRZYFBIY-CYBMUJFWSA-N 320.437 -0.486 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)Cc3nnc(C)o3)C2)C1 972371307 SXQVDRLTUDHOMN-HNNXBMFYSA-N 304.350 -0.143 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)c3cccn(C)c3=O)C2)C1 972644473 XVQGBJCOAZMYLP-KRWDZBQOSA-N 315.373 -0.065 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H](CNC(=O)c2cn(C)nn2)C1 975249680 VYTCBEWBXDGJAR-QWRGUYRKSA-N 304.354 -0.057 30 20 DBED O=C1N[C@H](C(=O)N[C@H]2[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]32)CO1 976429638 CQXMXPBAXALJNC-SRRSOLGSSA-N 303.318 -0.919 30 20 DBED C=CCCn1cc(C(=O)N[C@H]2CCC[C@@H](NCC(N)=O)C2)nn1 981377387 CLVMKLQONMRVJT-NEPJUHHUSA-N 320.397 -0.030 30 20 DBED C=C(C)CN[C@H]1CCC[C@H](NC(=O)c2cn(CC(N)=O)nn2)C1 981541364 KFRUICCVMQKPMM-RYUDHWBXSA-N 320.397 -0.030 30 20 DBED C=C(C)CN[C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)[C@H]1C 986295347 TWZHXJDKIMQNHN-WDEREUQCSA-N 306.370 -0.468 30 20 DBED C#CCN1CCC(C(=O)N2CC[C@H](NC(C)=O)[C@@H](O)C2)CC1 991143103 ARUPPGXBLYWCPB-GJZGRUSLSA-N 307.394 -0.571 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)Cn3ncnn3)C2)cc1 997334919 NNWMYKFAARVVEV-UHFFFAOYSA-N 310.317 -0.705 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)Cc2ccnn2C)C1 1000010009 UYQOLPOQKFTSAM-KGLIPLIRSA-N 318.377 -0.119 30 20 DBED N#CCN[C@@H]1CCCN(C(=O)c2cnn3c(=O)cc[nH]c23)C1 1000398706 ZIOHFLMXHZBJCO-SNVBAGLBSA-N 300.322 -0.260 30 20 DBED C#Cc1ccc(C(=O)NCC2CN(C(=O)c3cnn(C)n3)C2)nc1 1003468753 VBNBKYPHLOUFJF-UHFFFAOYSA-N 324.344 -0.307 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C(N)=O)CC1(C)C 1008197708 YYXIRBZJLQGLJY-TUAOUCFPSA-N 323.393 -0.194 30 20 DBED C[C@H]1C[C@@H](NC(=O)Cn2cnnc2O)CN1C(=O)C#CC1CC1 1012583529 ZKWRFCUVZRHKBG-CMPLNLGQSA-N 317.349 -0.497 30 20 DBED O=C1N[C@H](C(=O)NC2[C@H]3CN(C(=O)C#CC4CC4)C[C@H]23)CO1 1013032185 CQXMXPBAXALJNC-DCAQKATOSA-N 303.318 -0.919 30 20 DBED COc1ncc(C(=O)NC2[C@@H]3CN(C(=O)[C@@H](C)C#N)C[C@@H]23)cn1 1013710485 OCQQYIDVCCJXNS-JMJZKYOTSA-N 315.333 -0.169 30 20 DBED C=C(C)CN1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cnc(C(N)=O)n1 1017571041 JBTOCTGFBOGEKW-TXEJJXNPSA-N 318.381 -0.372 30 20 DBED CN1CC(=O)N(CC(=O)N2[C@H]3CC[C@H]2CN(CC#N)C3)C1=O 1018245481 FALDWIAZEPFBRL-QWRGUYRKSA-N 305.338 -0.921 30 20 DBED N#CCN[C@H]1CCN(C(=O)c2cccc(OCC(N)=O)c2)C1 1018937232 RNIZQOHOEXRCGO-LBPRGKRZSA-N 302.334 -0.122 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCN(C(=O)[C@@H]3COCCO3)C2)C1 1019361975 WYDOQUWIUMTEKE-NEPJUHHUSA-N 307.350 -0.378 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H](NCc3cnn(C)n3)C2)nn1 1019482483 WSPJPXKTLPDLAH-NSHDSACASA-N 316.369 -0.403 30 20 DBED C=CCN[C@H]1CCN(C(=O)C2(n3cnnn3)CCOCC2)C1 1019496192 LYYYYJLGRYWJKR-LBPRGKRZSA-N 306.370 -0.445 30 20 DBED Cc1nc(CC(=O)N[C@H]2CCN(C(=O)[C@@H](C)C#N)[C@H]2C)n[nH]1 1020535175 BJAREUDXALQSME-QXEWZRGKSA-N 304.354 -0.079 30 20 DBED Cc1cc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2O)n(C)n1 1023143537 RDNQKMVUAWHROR-HLUHBDAQSA-N 305.338 -0.810 30 20 DBED C#CCN1CCC[C@@H](CNC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 1023502557 GTAJXHFCYISVRZ-JSGCOSHPSA-N 315.377 -0.173 30 20 DBED N#CCN1CCC[C@H](CNC(=O)c2nccnc2C(N)=O)C1 1023739263 OQGMPUASEDJBOY-SNVBAGLBSA-N 302.338 -0.459 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1[C@@H]2CN([C@@H]3CCNC3=O)C[C@@H]21 1025790827 UBRVRVXRIVUAJF-JEWKUQAESA-N 319.405 -0.098 30 20 DBED C=CCN[C@@H]1CC[C@H]2CN(C(=O)CN3CCN(C)C(=O)C3)C[C@@H]21 1026296737 CCGPMYAGGLURHV-SOUVJXGZSA-N 320.437 -0.227 30 20 DBED Cn1nnc(CNC[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)n1 1026788936 QDGRHRIPRYHJOP-JTQLQIEISA-N 314.353 -0.338 30 20 DBED C=CCN1[C@H]2CC[C@H]1CN(C(=O)Cn1ccc(O)nc1=O)C2 1029383097 ZFWSOZBHHPLCFQ-RYUDHWBXSA-N 304.350 -0.190 30 20 DBED N#Cc1ccc(CN2CC(NC(=O)Cn3cnnn3)C2)s1 1030091202 UJDMDPIOUOKMBJ-UHFFFAOYSA-N 303.351 -0.393 30 20 DBED CC#CCN1CCCC[C@H](NC(=O)Cn2c(O)nnc2O)C1 1034511015 LQAJSSRLSIXOGG-NSHDSACASA-N 307.354 -0.317 30 20 DBED CC#CCN1CCO[C@H](CNC(=O)[C@@H]2CCCCC(=O)N2)C1 1035513155 SKUZJCYJOSMORF-KGLIPLIRSA-N 307.394 -0.115 30 20 DBED C#CCN1CCC(C(=O)NC[C@@H]2CN(CCOC)CCO2)CC1 1035615192 UZAMUOSPMOKSMQ-MRXNPFEDSA-N 323.437 -0.205 30 20 DBED C=CCN[C@@H]1CCN(C(=O)Cn2ccc(O)nc2=O)C[C@@H]1C 1036098820 IQEBZYKCMILNLB-NWDGAFQWSA-N 306.366 -0.039 30 20 DBED Cc1nn(CC(=O)N2CC[C@H](NCC#N)[C@@H](C)C2)c(=O)n1C 1036275725 KIQHTEHOXVXDBG-JQWIXIFHSA-N 306.370 -0.760 30 20 DBED C#CCN[C@@H]1CCN(C(=O)CN2C(=O)CN(C)C2=O)C[C@@H]1C 1036281025 BLHFHXDEQGARCW-NWDGAFQWSA-N 306.366 -0.660 30 20 DBED C=CCO[C@@H](C)C(=O)NC[C@@]1(O)CCN(C(=O)c2nc[nH]n2)C1 1040161971 RJHYFRQJENSYTE-HZMBPMFUSA-N 323.353 -0.911 30 20 DBED C=C(C)CCC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2CCNC2=O)C1 1040486176 RJRABWHTHQNBHM-WBMJQRKESA-N 323.393 -0.442 30 20 DBED Cn1cc(C(=O)N[C@@H]2CN(c3ccc(C#N)nn3)C[C@H]2O)cn1 1040939470 RHGFYWUFBVABME-VXGBXAGGSA-N 313.321 -0.939 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CN(c3cncc(C#N)n3)C[C@H]2O)c1 1040961154 DBSSZVBQMMSNGP-CHWSQXEVSA-N 323.316 -0.472 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)c3ccncn3)C2)nc1 1041130257 HYLCUURACUKJSW-CHWSQXEVSA-N 310.317 -0.277 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(O)CN(C(=O)c2ccoc2)C1 1042809593 OJVNBQRMNWEPBP-AWEZNQCLSA-N 308.334 -0.090 30 20 DBED C[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1N=c1cc[nH]cc1C#N 1043086821 VKKLHGNKEKSZOV-ZWNOBZJWSA-N 322.390 -0.321 30 20 DBED C[C@@H]1C[C@H](C(=O)NCC2(O)CN(C(=O)C#CC3CC3)C2)CO1 1043622305 BOEFZRMOFVSZDQ-YPMHNXCESA-N 306.362 -0.486 30 20 DBED C#CCN[C@H]1CCN(C(=O)CN2C(=O)CN(C)C2=O)[C@@H](C)C1 1044847583 CGUQASAVROQDNM-RYUDHWBXSA-N 306.366 -0.517 30 20 DBED C#CCN[C@@H]1CCN(C(=O)c2cn(C)c(=O)nc2O)[C@H](C)C1 1044860347 IQRDOEKZQXTCTQ-GHMZBOCLSA-N 304.350 -0.298 30 20 DBED C#CCN1CC[C@@](C)(NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 1046318423 CTCXSHZSXVVMDK-BLLLJJGKSA-N 315.377 -0.024 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C(N)=O)cn2C)C1 1047443744 LOMSXXFAFXNHCL-KBPBESRZSA-N 318.377 -0.736 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccoc2CC(N)=O)C1 1047502924 UILQUTUGAVUQIB-STQMWFEESA-N 319.361 -0.552 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCS2(=O)=O)C1 1047633787 LMFBITJRCBXSKW-RWMBFGLXSA-N 314.407 -0.910 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cocn2)C1 1048543620 GTUYCQIMGJZVTI-STQMWFEESA-N 305.334 -0.022 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)[C@@H]1CCc2nnnn2CC1 1051123980 AUBUGUVFNRTTIW-OLZOCXBDSA-N 318.381 -0.924 30 20 DBED C[C@H](NC[C@H]1CN(C(=O)C#CC2CC2)CCO1)c1nnnn1C 1051609196 QLCCIRUCVKDQJN-AAEUAGOBSA-N 318.381 -0.499 30 20 DBED N#Cc1cnc(N2CC[C@H](NC(=O)c3cnco3)[C@@H](O)C2)cn1 1051755959 VYPKHXMSLVQFGT-QWRGUYRKSA-N 314.305 -0.294 30 20 DBED N#Cc1cncc(NC2CC(CNC(=O)[C@H]3C[C@H]3C(N)=O)C2)n1 1052088876 FYYXQQYVYYWDLS-FZOPHOIVSA-N 314.349 -0.224 30 20 DBED C#CCN1CCC[C@H](NC(=O)C2CC3(C2)NC(=O)NC3=O)CC1 1052783157 AZLXBITXVFSWGH-BGMSHATGSA-N 318.377 -0.422 30 20 DBED C#CCCN1CC2(CC[C@H](CNC(=O)c3cnnn3C)O2)C1 1053597907 KWFZNRHFEUVNKL-GFCCVEGCSA-N 303.366 -0.198 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)c3cc4n(n3)CCO4)CO2)C1 1053830432 ANQOSSXNCDADCJ-GFCCVEGCSA-N 316.361 -0.128 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)[C@@]3(C)CCC(=O)NC3)CO2)C1 1053903555 SWONMHSMFMLMNJ-CJNGLKHVSA-N 319.405 -0.115 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)[C@@H]3CCCS3(=O)=O)CO2)C1 1054012655 FVKCVZDADAWEIK-NEPJUHHUSA-N 312.391 -0.844 30 20 DBED C=CCOCC(=O)N1C[C@@H]2CN(C(=O)c3nc[nH]n3)C[C@@H]2C1 1055248712 XVWXXHSILUDAHU-PHIMTYICSA-N 305.338 -0.462 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2CN(C(=O)CC(=O)NC)C[C@@H]2C1 1055304058 OQIARAOAIBHJEO-RWMBFGLXSA-N 321.377 -0.922 30 20 DBED Cn1ccc(C(=O)NC2[C@H]3CN(c4nccnc4C#N)C[C@H]23)n1 1056224788 FHBLCQJTRMECAB-UWVGGRQHSA-N 309.333 -0.054 30 20 DBED CN(c1ccnc(C#N)n1)[C@@H]1CCN(C(=O)c2cnn(C)n2)C1 1056938580 KNRWWKZVSGBHQA-SNVBAGLBSA-N 312.337 -0.172 30 20 DBED N#Cc1nc(=NC2CCN(C(=O)Cn3cncn3)CC2)cc[nH]1 1057331612 WFWFTXASJAFBOW-UHFFFAOYSA-N 312.337 -0.535 30 20 DBED Cc1ncc(C(=O)NCCN(CCO)C(=O)C#CC(C)C)[nH]1 1057516838 BEBIDSZFEGRDPU-UHFFFAOYSA-N 306.366 -0.072 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)[C@]1(C)CCNC1=O 1057524455 GGDRSQZYDSMHLX-MRXNPFEDSA-N 323.393 -0.891 30 20 DBED C[C@@H]1CCCN1CC(=O)NCCN(CCO)C(=O)C#CC1CC1 1057535802 WSRGHIULFSPCKH-CQSZACIVSA-N 321.421 -0.179 30 20 DBED C#CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)c1cnn(C)c1 1057583197 JQGLVDRZAQUHIK-LBPRGKRZSA-N 322.365 -0.991 30 20 DBED CN1CC[C@@H](C(=O)N(CCO)CCNC(=O)C#CC2CC2)C1 1057632130 HNHXAWQEMRRHOI-CQSZACIVSA-N 307.394 -0.711 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)c1c[nH]c(C(N)=O)c1 1057645581 IAKYAQCYMBROPF-UHFFFAOYSA-N 322.365 -0.370 30 20 DBED C=C(C)CCC(=O)NCCN(CCO)C(=O)[C@H](C)CC(N)=O 1058292101 RMHYPEPQVRQWAH-GFCCVEGCSA-N 313.398 -0.209 30 20 DBED C=C(C)C[C@H](C)C(=O)N(CCO)CCNC(=O)Cc1nc[nH]n1 1058464621 YZWHMBQOUUZYKZ-LBPRGKRZSA-N 323.397 -0.113 30 20 DBED C=CCn1cc(C(=O)N[C@H]2C[C@H](N=c3cc[nH]c(C#N)n3)C2)nn1 1059433052 UHBLGMKFHCLAJX-XYPYZODXSA-N 324.348 -0.079 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](CCNC(=O)c2cn(C)nn2)C1 1060290132 XEHQBTRPNXVGGM-WDEREUQCSA-N 304.354 -0.057 30 20 DBED CNC(=O)CC(=O)N1CC2(CCN(C(=O)[C@@H](C)C#N)CC2)C1 1060981571 IQGMVNFGDOIXKE-NSHDSACASA-N 306.366 -0.267 30 20 DBED CC(C)(C)C#CC(=O)N1CCOC[C@H]1CNC(=O)CNC(N)=O 1061267696 SCMSYFBHDUFHOI-LLVKDONJSA-N 324.381 -0.952 30 20 DBED C#CCCCCC(=O)N1CCOC[C@H]1CNC(=O)CC(=O)NC 1061527430 XWRFIQHQTNZIBM-CYBMUJFWSA-N 323.393 -0.340 30 20 DBED C=CCOCC(=O)N1CCCC[C@@H]1CNC(=O)Cn1cncn1 1062070556 REDPKZLDXQZKLL-CYBMUJFWSA-N 321.381 -0.022 30 20 DBED C=CCCOCC(=O)NC1(CNC(=O)CNC(N)=O)CCC1 1062492404 PEXNLJIKXIAVGZ-UHFFFAOYSA-N 312.370 -0.598 30 20 DBED CN1CCOC[C@H]1C(=O)NCC1(NC(=O)C#CC2CC2)CCC1 1062823829 FRODAEYRKQPDOO-AWEZNQCLSA-N 319.405 -0.115 30 20 DBED CNC(=O)C1(C(=O)NCC2(NC(=O)[C@@H](C)C#N)CCC2)CC1 1063610761 LNPJDGYLJSBKMC-JTQLQIEISA-N 306.366 -0.173 30 20 DBED C=CCOCC(=O)NC1(CNC(=O)[C@@H]2CCC(=O)N2)CCC1 1063835031 XOGLZNNZNZUJPE-NSHDSACASA-N 309.366 -0.377 30 20 DBED C[C@@H]1CCCN(C(=O)C(N)=O)[C@@H]1CNc1nccnc1C#N 1063956693 LMMASSHAVVPKQH-MWLCHTKSSA-N 302.338 -0.127 30 20 DBED N#Cc1cnc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)C(N)=O)c(Cl)c1 1064336348 GQMIKQXNWIEALD-JEZHCXPESA-N 305.725 -0.215 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C)C2)CCO1 1065243185 NWUSYXMGCXGLBP-CHWSQXEVSA-N 323.393 -0.226 30 20 DBED C=CCC1(C(=O)N2CCO[C@@H](CNC(=O)C(N)=O)C2)CCCC1 1065332961 UKAYFOCEELXBHM-LBPRGKRZSA-N 323.393 -0.048 30 20 DBED C=C(C)C[C@H](C)C(=O)N1CCO[C@H](CNC(=O)CC(N)=O)C1 1065490754 HCTHCSORSWQQLW-NWDGAFQWSA-N 311.382 -0.192 30 20 DBED N#Cc1nc(=NCC[C@@H]2CCN(C(=O)c3cnn[nH]3)C2)cc[nH]1 1066400329 OYFRIKMAJKXXSK-SNVBAGLBSA-N 312.337 -0.147 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCCN(C)C(=O)[C@H]1CCNC(=O)C1 1067174363 QHHUNNSHVRNRPK-RYUDHWBXSA-N 308.382 -0.021 30 20 DBED C[C@H](C#N)C(=O)N(C)CCCN(C)C(=O)C1CS(=O)(=O)C1 1067491064 YEVMVIAVHNAYST-SNVBAGLBSA-N 315.395 -0.502 30 20 DBED C#CCCCC(=O)N1CC2(C[C@@H](NC(=O)c3cnn[nH]3)CO2)C1 1068920952 ZOWXNDMWVNXEEJ-LLVKDONJSA-N 317.349 -0.292 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)[C@@H]2CCNC2=O)CCOCC1 1070185559 BGSQDTNETIUAFF-GHMZBOCLSA-N 322.365 -0.936 30 20 DBED C#CCN[C@@H]1CN(C(=O)C2CCN(C)CC2)C[C@@H]1n1ccnn1 1070267774 PRWHCBLLPXZVKS-CABCVRRESA-N 316.409 -0.405 30 20 DBED C#CCN[C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@H]1c1cn(C)cn1 1070503819 MIYRHEFXRMSMIA-WCQYABFASA-N 317.393 -0.551 30 20 DBED C=CCOCC(=O)N1CCC[C@@H](NC(=O)C2(C(N)=O)CC2)C1 1070552418 RJIXGKZYOMKYEJ-LLVKDONJSA-N 309.366 -0.438 30 20 DBED C=CCOCC(=O)N1CCC[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 1070552470 UJBCBUYFUKEEOU-UTUOFQBUSA-N 309.366 -0.582 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)c4cnn(C)c4N)C[C@@]3(C1)O2 1070790088 RKEYTMVEOMJMMU-XHBSWPGZSA-N 315.377 -0.449 30 20 DBED CCO[C@H]1C[C@@H]1C(=O)N1CCC(=O)NCCN(CC#N)CC1 1070940438 GEMMFEPPWURXME-STQMWFEESA-N 308.382 -0.415 30 20 DBED N#CCN1CCCO[C@@H](CNC(=O)c2ccc3nn[nH]c3n2)C1 1073629685 DACFZJYKVGXDPO-JTQLQIEISA-N 315.337 -0.303 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)[C@H]2CN(C(C)C)CCO2)C1 1073739984 AQOMDQAUGQINDK-HZPDHXFCSA-N 323.437 -0.064 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(C(=O)C2(C(N)=O)CC2)C[C@@H]1C 1073816646 DREHFQFHDZQHSS-NWDGAFQWSA-N 323.393 -0.192 30 20 DBED Cc1[nH]nc(C(=O)N2CC[C@H]3OCCN(CC#N)[C@H]3C2)c1O 1074218938 HQTQZUZDHHBZCH-WDEREUQCSA-N 305.338 -0.137 30 20 DBED CC#CCN1CCO[C@H]2CCN(C(=O)c3cc(=O)n(C)o3)C[C@@H]21 1074219438 PKJWYJGUNSUYPK-STQMWFEESA-N 319.361 -0.083 30 20 DBED C=CCCn1cc(C(=O)N2CCC(O)(CNC(C)=O)CC2)nn1 1074599474 DGXHIFCENNWCIG-UHFFFAOYSA-N 321.381 -0.043 30 20 DBED C#CCOCCC(=O)NCC[C@H](C)NC(=O)C1(C(=O)NC)CC1 1076504154 NYPMXHYTEBONOD-LBPRGKRZSA-N 323.393 -0.437 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)C1 1077949590 CJZNDLNPLNBZJX-GHMZBOCLSA-N 324.381 -0.946 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)c2ccc(C(=O)NC)nc2)C1 1078021567 FHJOSNODVSULLH-ZIAGYGMSSA-N 318.377 -0.208 30 20 DBED C[C@@H](CCNC(=O)[C@@H](C)C#N)NC(=O)CCN1C(=O)CCC1=O 1078133202 CSOUYTKPJGSWOJ-QWRGUYRKSA-N 322.365 -0.304 30 20 DBED C=CCOCC(=O)N1CC(N(CC)C(=O)[C@H]2CN(C)C(=O)N2)C1 1080215826 DJEWONHZBKMNJN-GFCCVEGCSA-N 324.381 -0.728 30 20 DBED CC#CCCCC(=O)N(CC)C1CN(C(=O)Cn2cnnn2)C1 1080294360 BSDMBLMDXQKWIV-UHFFFAOYSA-N 318.381 -0.074 30 20 DBED O=C(C#CC1CC1)NC1(CO)CCN(C(=O)[C@H]2CCOC2)CC1 1080853062 JBTGMUGCQWNTHD-AWEZNQCLSA-N 320.389 -0.094 30 20 DBED C#CCCCC(=O)N1C[C@H](CNC(=O)c2cn(C)nn2)[C@@H](O)C1 1081453224 RQZMQYODBJRGDH-AAEUAGOBSA-N 319.365 -0.832 30 20 DBED C#CCCN1C[C@@H](NC(=O)c2cn3c(n2)COCC3)[C@H](OC)C1 1081853230 GAOSXEXRJNIDOD-TZMCWYRMSA-N 318.377 -0.134 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CC(=O)N(CC(C)C)C2)C1 1083503103 GTIGPVAZLFENQH-MCIONIFRSA-N 309.410 -0.162 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)c2noc3c2COCC3)C1 1084077080 FBWBEDBMXNJCGD-NEPJUHHUSA-N 305.334 -0.455 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)[C@H]3CCN(C)S3(=O)=O)[C@@H]2C1 1084715034 KUHPEESETLTTSW-JHJVBQTASA-N 311.407 -0.814 30 20 DBED N#CCN1CC[C@@H]2CN(C(=O)CC[C@@H]3NC(=O)NC3=O)[C@@H]2C1 1084819539 GENONOFTGWHZEM-OUAUKWLOSA-N 305.338 -0.969 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2CC[C@@H](N[C@H](C)C(N)=O)C2)nn1 1086823547 KDCKXYLFQVCAKL-GRYCIOLGSA-N 320.397 -0.174 30 20 DBED CC#CCN1C[C@H]2[C@H]3CC[C@@H]([C@H]2C1)N(C(=O)Cn1cnnn1)C3 1089770572 SVIJDTMTJYEILZ-AJNGGQMLSA-N 314.393 -0.135 30 20 DBED C[C@@H](CCCCN=c1cc[nH]c(C#N)n1)NC(=O)CC(N)=O 1090066976 XQCJRVGAMCGHRN-JTQLQIEISA-N 304.354 -0.268 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2ccn(C)c(=O)c2)[C@H](O)C1 1090367516 GYKVTJLQUOIAHZ-UONOGXRCSA-N 303.362 -0.426 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2ccc(=O)n(C)c2)[C@H](O)C1 1090392769 VINROMAERNBCIN-ZIAGYGMSSA-N 303.362 -0.426 30 20 DBED Cc1cc(N2C[C@@H](O)[C@H](NC(=O)[C@H](C)C#N)C2)n2ncnc2n1 1090404816 WEBQXJDLDANGMI-FBIMIBRVSA-N 315.337 -0.742 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(c2nc(C)ns2)C[C@H]1O 1090408322 POPSRBUJGQURFK-GIPNMCIBSA-N 312.395 -0.161 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1O 1090445200 FOOKXPMCMZQBIJ-QJPTWQEYSA-N 317.349 -0.395 30 20 DBED C=CCCN1CC[C@H](NC(=O)C2CCN(C(N)=O)CC2)[C@H](O)C1 1090793966 JDONOCYAFNNUSL-UONOGXRCSA-N 324.425 -0.095 30 20 DBED CC(C)(C(N)=O)C(=O)NC[C@H]1C[C@H](N=c2cc[nH]c(C#N)n2)C1 1091487858 NVJFZRVYSIVKAB-MGCOHNPYSA-N 316.365 -0.412 30 20 DBED C[C@@H]1CN(c2ccncc2C#N)C[C@H]1CNC(=O)CNC(N)=O 1092321966 NLNBUCRNNWNGRP-ZYHUDNBSSA-N 316.365 -0.190 30 20 DBED CC(=O)N[C@@H](C)C(=O)N1CCN(c2ccc(C#N)nn2)CC1 1093130945 PFKZEKPZSUOXJM-JTQLQIEISA-N 302.338 -0.479 30 20 DBED C#CCOCCC(=O)NC1[C@@H]2CN(c3ccc(C#N)nn3)C[C@@H]12 1093310417 IHIFARORGSHAFH-CHWSQXEVSA-N 311.345 -0.061 30 20 DBED N#Cc1nccnc1NCCNC(=O)[C@H]1CCCS(=O)(=O)C1 1093866788 LKAHHXIALORMIH-JTQLQIEISA-N 323.378 -0.299 30 20 DBED C#CCN1CC(n2cc(CNC(=O)[C@@H]3CCCN3C)nn2)C1 1094278184 BDCUFWRXXJXZRQ-AWEZNQCLSA-N 302.382 -0.522 30 20 DBED N#CCN1CC(n2cc(CNC(=O)[C@H]3CCCOC3)nn2)C1 1094279140 YJRGBXLYXGZUKC-NSHDSACASA-N 304.354 -0.299 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)c3csnn3)CC2=O)C1 1094764213 BFOOXJCQCKTXKV-VIFPVBQESA-N 305.363 -0.814 30 20 DBED C[C@H](CC(=O)N1CC[C@@H](Nc2cnc(C#N)cn2)C1)NC(N)=O 1095061862 NVIXKWHKTVNZNG-NXEZZACHSA-N 317.353 -0.192 30 20 DBED CNC(=O)CC(=O)N1CC[C@H](N(C)c2ccnc(C#N)n2)C1 1095112058 CGGMXKCGLSIHDO-JTQLQIEISA-N 302.338 -0.479 30 20 DBED CC(=O)N[C@@H](C)C(=O)NCCCN(C)c1cnc(C#N)cn1 1095487313 OPFZQFVHFKBSSC-JTQLQIEISA-N 304.354 -0.185 30 20 DBED CN(C(=O)CNC(N)=O)C1CCN(c2ccnc(C#N)n2)CC1 1096093043 JYCZXFUAOJCWIX-UHFFFAOYSA-N 317.353 -0.556 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@H]1C[C@H](Nc2nccn3nnnc23)C1 1097014700 YDGPFUVMEFITBV-BHDSKKPTSA-N 317.353 -0.095 30 20 DBED Cc1cc(C#N)nc(N[C@H]2C[C@H](NC(=O)C3(C(N)=O)CC3)C2)n1 1097097827 WLTXPCSWRXWJBQ-MGCOHNPYSA-N 314.349 -0.019 30 20 DBED C[C@@H](CNC(=O)CNC(=O)C1CC1)Nc1cncc(C#N)n1 1097687364 WVBDBWFCBFDSSR-VIFPVBQESA-N 302.338 -0.209 30 20 DBED C[C@H](CNC(=O)C[C@H]1CC(=O)NC1=O)Nc1ncccc1C#N 1097943421 DPPLJSCKSIEBNU-KOLCDFICSA-N 315.333 -0.077 30 20 DBED CCN1C[C@@H](C(=O)N2CCC(N(CC#N)CCO)CC2)CC1=O 1098384233 OBMVOYLNLVYQEE-ZDUSSCGKSA-N 322.409 -0.336 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)Cc2cc[nH]n2)[C@H](O)C1 1099750920 WAIALOSHSPPNME-UONOGXRCSA-N 308.382 -0.294 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)C#CC(C)C)[C@H](O)C1 1099822068 ZYMPTSFXKGINOY-UONOGXRCSA-N 307.394 -0.501 30 20 DBED CC(C)N(C)C(=O)CN1CC[C@@H](NC(=O)C#CC2CC2)[C@@H](O)C1 1099827116 UIJLBANTEOSFMH-CABCVRRESA-N 321.421 -0.182 30 20 DBED C#CCCN1CC[C@H](NC(=O)CCCn2cncn2)[C@@H](O)C1 1100064749 QTIKMWRQTQWEQY-KBPBESRZSA-N 305.382 -0.367 30 20 DBED CCCN(C)CC(=O)N[C@H]1CCN(CC#CCOC)C[C@H]1O 1100082903 JUCQZRPERLFINQ-LSDHHAIUSA-N 311.426 -0.471 30 20 DBED C#CCNC(=O)CC(=O)NCC1CC(NCC(=O)NC(C)C)C1 1100261815 QPNSMIADPRENCQ-UHFFFAOYSA-N 322.409 -0.865 30 20 DBED CCN(CCNC(=O)c1cnn(C)c1N)c1cnc(C#N)cn1 1100499660 AANKPYJSSDNIMQ-UHFFFAOYSA-N 314.353 -0.080 30 20 DBED CCN(CCNC(=O)c1cnn(C)c1N)c1cncc(C#N)n1 1100499866 KHFXQJWZBQWICE-UHFFFAOYSA-N 314.353 -0.080 30 20 DBED CNC(=O)NCC(=O)NC[C@@H]1CCN(c2ccc(C#N)nc2)C1 1101066495 WIGRBNKAUSRSIZ-NSHDSACASA-N 316.365 -0.175 30 20 DBED C=C[C@](C)(O)CC(=O)N1C[C@H]2CN(CC(=O)NC)C[C@@]2(C)C1 1101219531 ZVDPXVKOWSJJEQ-KCXAZCMYSA-N 309.410 -0.160 30 20 DBED Cn1nncc1C(=O)NCCN(c1ccc(C#N)nn1)C1CC1 1101341424 FNWMXLKJSGZFEV-UHFFFAOYSA-N 312.337 -0.124 30 20 DBED N#Cc1ccc(N(CCNC(=O)C2(C(N)=O)CC2)C2CC2)nn1 1101442872 JIZLWYFUBBKCML-UHFFFAOYSA-N 314.349 -0.301 30 20 DBED C#CCNC(=O)CC(=O)N(C)CCNc1nc[nH]c2ncnc1-2 1101551219 ZDCDQMRRDQUSME-UHFFFAOYSA-N 315.337 -0.686 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CC2(CN(CCO)C2)n2ccnc21 1101626063 VBVAFGNPBDMQSZ-IUODEOHRSA-N 320.393 -0.226 30 20 DBED CN(CCN=c1cc[nH]cc1C#N)C(=O)C1CC(=O)NC(=O)C1 1101683969 SOTKYGJYZWPDMY-UHFFFAOYSA-N 315.333 -0.702 30 20 DBED CN(CCNc1ccc(C#N)nn1)C(=O)[C@@]1(C)CNC(=O)C1 1101877324 UIRAJBNAWNTANV-CQSZACIVSA-N 302.338 -0.255 30 20 DBED C#CCCN1C[C@@H](C)[C@H](CNC(=O)CCS(=O)(=O)NC)C1 1101966661 WNKSSFUVWKWKIP-CHWSQXEVSA-N 315.439 -0.367 30 20 DBED Cc1cc(=NC[C@H](C)CNC(=O)[C@H]2CCNC2=O)c(C#N)c[nH]1 1104157663 RDZQJXMDMFBUSY-GWCFXTLKSA-N 315.377 -0.016 30 20 DBED CCn1nncc1C(=O)N(C)[C@H](C)CN=c1cc[nH]c(C#N)n1 1104539518 BZKGOTPDUUPVSK-SNVBAGLBSA-N 314.353 -0.046 30 20 DBED CN(CCN(C)c1ncccc1C#N)C(=O)Cn1ncnn1 1105473241 UYMXWDMPPUTQRB-UHFFFAOYSA-N 300.326 -0.465 30 20 DBED CCn1nccc1C(=O)NC[C@H](O)CN=c1cc[nH]cc1C#N 1105800429 PGODQANOQPHWAG-GFCCVEGCSA-N 314.349 -0.206 30 20 DBED N#Cc1nc(=NC[C@@H](O)CNC(=O)[C@H]2C[C@@H]2C(F)F)cc[nH]1 1105836772 APZJNGQPFTZELK-VGMNWLOBSA-N 311.292 -0.440 30 20 DBED CN(C)C1(C(=O)NC[C@H](O)CN=c2cc[nH]cc2C#N)CCC1 1106004138 MPYSYVOEGNNYGM-CYBMUJFWSA-N 317.393 -0.252 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)CCNc1cncc(C#N)n1 1106285273 OGDRENLJDQDWTL-LLVKDONJSA-N 314.349 -0.206 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2C)C[C@H]1C 1106572716 FSCJOIUYRHQCMY-RBSFLKMASA-N 321.421 -0.059 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)[C@@H]1CCN(C)C1 1106768445 AVRBUIVCNWRCGM-GFCCVEGCSA-N 302.382 -0.018 30 20 DBED N#Cc1ccc(NC/C=C/CNC(=O)C(=O)NCC(F)F)nn1 1107403143 SZHBFVZOHAUYHH-OWOJBTEDSA-N 324.291 -0.186 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)c2cc(OC)n(C)n2)C1 1108063453 RMXBUMMLCSYJPU-HNNXBMFYSA-N 306.366 -0.117 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)CCN2CCOCC2)C1 1108279928 KGGIYLXXJYBVOA-MRXNPFEDSA-N 309.410 -0.451 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)CCc3cn[nH]c3)CC2=O)C1 1108579821 CNDPPQPNYMHWCP-CYBMUJFWSA-N 315.377 -0.623 30 20 DBED C=CCn1cc(C(=O)N[C@@H](C)CN=c2cc[nH]c(C#N)n2)nn1 1108724915 YEEVMVTXPKERFY-JTQLQIEISA-N 312.337 -0.222 30 20 DBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cn1ccnc1 1110196049 QJJRQNRAWDUGBE-AGIUHOORSA-N 316.365 -0.756 30 20 DBED CCOCC(=O)NC[C@@]1(O)CCN(c2ccnc(C#N)n2)C1 1111022873 RFTYMOSVPZBBLZ-AWEZNQCLSA-N 305.338 -0.558 30 20 DBED CNC(=O)CC(=O)NC[C@]1(O)CCN(c2ccncc2C#N)C1 1111063059 XYFDVQKBOCPFOC-OAHLLOKOSA-N 317.349 -0.853 30 20 DBED CN(C)CCC(=O)NC[C@]1(O)CCN(c2cnc(C#N)cn2)C1 1111124488 LYNTZFOMYQZUGV-OAHLLOKOSA-N 318.381 -0.643 30 20 DBED CC(=O)NCC(=O)N[C@H]1CCCN(c2ccc(C#N)nn2)CC1 1111965231 VFWYMLKCBAJXPI-LBPRGKRZSA-N 316.365 -0.041 30 20 DBED Cc1cc(C#N)nc(NCC2(NC(=O)C(N)=O)CCOCC2)n1 1112262755 IXGZDMBBYGJQAO-UHFFFAOYSA-N 318.337 -0.781 30 20 DBED C[C@@H]1CN(c2nccnc2C#N)CC[C@@H]1NC(=O)CNC(N)=O 1112394288 ZCYVUCKPFFSZBP-ZJUUUORDSA-N 317.353 -0.652 30 20 DBED N#Cc1cccc(CN2CCN(C(=O)CNC(N)=O)CC2)c1 1112609027 ZTWRCVOAPNCOSL-UHFFFAOYSA-N 301.350 -0.129 30 20 DBED C#Cc1cncc(C(=O)N2CCN(CC(=O)NCC#N)CC2)c1 1113331238 OEMQSAKJPGMLAZ-UHFFFAOYSA-N 311.345 -0.540 30 20 DBED C#Cc1ccc(C(=O)N2CCN(CC(=O)NC(N)=O)CC2)nc1 1113559107 DBVLRLBKLUAGKP-UHFFFAOYSA-N 315.333 -0.984 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3ocnc3C)[C@H]2C1 1114101672 TUBVWTJEBHNOLZ-QWRGUYRKSA-N 302.334 -0.608 30 20 DBED Cn1ccc(C(=O)N[C@H]2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]32)c1 1114136197 DUGHXFVSIBBTOZ-IMRBUKKESA-N 301.350 -0.675 30 20 DBED C#CCOCCC(=O)NC1[C@@H]2CN(Cc3cnn(C)n3)C[C@@H]12 1114265764 IPZNAEIBPCSEKC-CHWSQXEVSA-N 303.366 -0.599 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)CO[C@H]3CCOC3)[C@@H]2C1 1114273058 GQJISULJOMFWBW-YNEHKIRRSA-N 323.393 -0.860 30 20 DBED N#Cc1c(F)cccc1N1C[C@H]2C(CNC(=O)C(N)=O)[C@@H]2C1 1114619645 ADTHPRQPAQUJMZ-QWRGUYRKSA-N 302.309 -0.019 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)c3cccc(=O)n3C)[C@H]2C1 1114815659 YJQMDTGDOYNLRG-VIKVFOODSA-N 315.373 -0.305 30 20 DBED C=CCCCN1C[C@H]2C(NC(=O)CN3CC(=O)NC3=O)[C@@H]2C1 1114986448 FIGITRZFPXGKKY-GHMZBOCLSA-N 306.366 -0.449 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)c3ccncn3)[C@H]2C1 1114991757 IYTQYOXJOBJANJ-NMKXLXIOSA-N 315.377 -0.173 30 20 DBED CN(CCOCCNC(=O)c1cnon1)c1ccnc(C#N)n1 1115219580 BSEFLIXWKYILCA-UHFFFAOYSA-N 317.309 -0.386 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CCC[C@H]1c1nncn1C 1117582372 RVNNDYYPPCFQPQ-MNOVXSKESA-N 307.354 -0.204 30 20 DBED C=CCCOCCNC(=O)C(=O)N[C@H]1C[C@@H]2CCCCN2C1=O 1118079560 HDQZIVVUDFWCBK-STQMWFEESA-N 323.393 -0.035 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2C[C@H]3CCC[C@]3(N)C2)nn1 1118767883 ZRBBSPTVBUNDRT-ABAIWWIYSA-N 318.381 -0.580 30 20 DBED C[C@@H](CN(C)C(=O)[C@@H]1[C@H]2COC[C@H]21)N=c1cc[nH]c(C#N)n1 1120486044 MULXTAVHMHBLTL-KZWBYHQPSA-N 301.350 -0.079 30 20 DBED N#Cc1cccnc1N[C@@H](CO)CNC(=O)CCn1cncn1 1121067070 HFCCWAITOXAONR-GFCCVEGCSA-N 315.337 -0.476 30 20 DBED N#CCSCC(=O)NC[C@@H](CO)Nc1ccc(C#N)nn1 1121079167 OVOVUQFIUBBWNV-JTQLQIEISA-N 306.351 -0.506 30 20 DBED Cc1ncoc1C(=O)NC[C@@H](CO)Nc1ccc(C#N)nn1 1121432652 ORPSRLXJXCUAQE-JTQLQIEISA-N 302.294 -0.153 30 20 DBED CNC(=O)NCCC(=O)NC[C@@H](CO)Nc1ncccc1C#N 1121438929 BWZVDVAMPRYIOY-NSHDSACASA-N 320.353 -0.839 30 20 DBED N#Cc1nc(=N[C@@H](CO)CNC(=O)[C@H]2Cc3ccccc32)cc[nH]1 1122446097 ZPNNNTRZQPEHOS-OCCSQVGLSA-N 323.356 -0.001 30 20 DBED Cc1cc(C)c(C(=O)NC[C@@H](CO)N=c2cc[nH]c(C#N)n2)[nH]1 1122866277 FXZQLLMNLYVZQK-NSHDSACASA-N 314.349 -0.082 30 20 DBED CNC(=O)CC(=O)N(C)C[C@@H](O)CNc1ncccc1C#N 1124255922 AOSZHISKJDDEJU-NSHDSACASA-N 305.338 -0.679 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)[C@H]1CC12CC2 1124793354 SJBOBMGFYSFOCA-GHMZBOCLSA-N 301.350 -0.199 30 20 DBED CNC(=O)CC(=O)N(C)C[C@H](O)CN(C)c1ccncc1C#N 1125069090 DYJPRCVQKHDMEQ-GFCCVEGCSA-N 319.365 -0.655 30 20 DBED C=C(C)CN(CC)C(=O)CNCCNC(=O)CC(=O)NCC 1126002693 OHLIJDUBCJMEBD-UHFFFAOYSA-N 312.414 -0.357 30 20 DBED C#CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H](COC)OC)C1 1129243088 HXHWAWLNLWWGON-HZSPNIEDSA-N 321.381 -0.696 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)C[C@H](C)COC)C1 1129360277 XXEJWMYLXYUNMM-MJBXVCDLSA-N 305.382 -0.075 30 20 DBED C#CCCN[C@@H]1CN(C(=O)[C@@H](C)CC(N)=O)C[C@@H]1n1ccnn1 1129957173 VBPINBJDGGDPDS-XQQFMLRXSA-N 318.381 -0.846 30 20 DBED C=CCCN[C@@H]1CN(C(=O)[C@@H](COC)OC)C[C@@H]1n1ccnn1 1130002793 RIWQGUPIVSBEFT-HZSPNIEDSA-N 323.397 -0.143 30 20 DBED CCC[C@@H](OC)C(=O)N1CCC(=O)NCCN(CC#N)CC1 1131374281 SDFGOZYEYWTSIJ-CYBMUJFWSA-N 310.398 -0.024 30 20 DBED C[C@H]1CC[C@H](NC(=O)c2n[nH]cc2F)CN1CC(=O)NCC#N 1132273979 MUBXRWDDMKUTNJ-UWVGGRQHSA-N 322.344 -0.229 30 20 DBED COCC(=O)N(C)CC(=O)N1CC[C@@H](C)[C@H](CNCC#N)C1 1132874726 MAMRPSBKSRSFQD-CHWSQXEVSA-N 310.398 -0.311 30 20 DBED CCC(=O)NCC(=O)N[C@H](C)C[C@@H](C)NCC(=O)NCC#N 1133970102 RLEDGCRPHSPRGE-GHMZBOCLSA-N 311.386 -0.975 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)Cc1cc[nH]n1 1133975448 ZQOXQNJCVNNSGK-NWDGAFQWSA-N 305.382 -0.426 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)C(C)(C)C(N)=O 1134658695 WQIJCUHLMNOMQZ-GHMZBOCLSA-N 310.398 -0.880 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)c1cnc(C)[nH]1)C2 1147201300 RBXQNXGVQNIDFF-UHFFFAOYSA-N 315.377 -0.385 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)c1c2c(nn1C)CCC2 1147634541 NDMHKPJUTTVNQF-NSHDSACASA-N 319.409 -0.081 30 20 DBED COCC#CCN1CCC2(C1)CN(C(=O)CCNC(N)=O)C2 1148726431 IAKRQMNSVRJQPU-UHFFFAOYSA-N 308.382 -0.771 30 20 DBED C=CCNC(=O)CNCC1(CCNC(=O)[C@@H]2CCNC2=O)CC1 1166560285 LTLXQLGIOKZWTN-GFCCVEGCSA-N 322.409 -0.699 30 20 DBED COCC#CCNCCCC[C@H](C)NC(=O)CS(C)(=O)=O 1169558387 YMOLFCYGCSKAOZ-ZDUSSCGKSA-N 318.439 -0.055 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2ccnn2C)C1 1181461448 QYQGILVEFKJCFU-VXGBXAGGSA-N 303.366 -0.638 30 20 DBED C#CCCN[C@@H]1CCN(C(=O)C(C)(C)NS(C)(=O)=O)C1 1186194133 XTHWDXANXKZULI-LLVKDONJSA-N 301.412 -0.472 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@@H]1CCN(C(=O)c2cc[nH]n2)C1 1188974475 PJJKCOPMPVABGC-VXGBXAGGSA-N 303.366 -0.306 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3oncc3C)[C@@H]2C1 1189628218 GLJNJVODFKWNGP-QWHCGFSZSA-N 316.361 -0.121 30 20 DBED CN(CC(=O)NCC#N)[C@@H]1CCN(C(=O)CCn2ccnc2)C1 1191625264 KLFUVWCEZSBNQR-CYBMUJFWSA-N 318.381 -0.554 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)CCNC(=O)c2ccsc2)C1 1193934941 PWBWYXRELLDXST-VXGBXAGGSA-N 322.390 -0.447 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)CCCn2cncn2)C1 1197512426 RRYLSPVWRJPAOF-ZIAGYGMSSA-N 323.397 -0.578 30 20 DBED C#CCNC(=O)CC(=O)N1CCC(NCCn2cccn2)CC1 1200170568 BWEIWKDIQDNCNX-UHFFFAOYSA-N 317.393 -0.397 30 20 DBED C=CCNC(=O)CN[C@H]1C[C@H](NC(=O)c2nc[nH]n2)C12CCC2 1203500098 NEUZKAAEKCZWJT-QWRGUYRKSA-N 318.381 -0.263 30 20 DBED CC#CCN[C@H]1C[C@@H](NC(=O)CN2C(=O)CNC2=O)C12CCC2 1203694739 KQFIJUGZXKCJNV-NWDGAFQWSA-N 318.377 -0.422 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)c2cnn(C)n2)CC1 1206580219 GCIJWORYJXGPSO-UHFFFAOYSA-N 318.381 -0.994 30 20 DBED COCC#CCN1C[C@@H](NC(=O)CN(C)C(=O)C2CC2)[C@H](C)C1 1207315683 WGZUCNFXTVRXCR-UKRRQHHQSA-N 321.421 -0.059 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2CCCCO2)C1 1207807362 MAUDIJRIRZQFHR-KGLIPLIRSA-N 307.394 -0.115 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)c2cncnc2)C1 1207870271 UUDZOQYTGRVJOC-ZDUSSCGKSA-N 303.366 -0.027 30 20 DBED C=CCCCN[C@@H]1CCCN(C(=O)CN2CCNC(=O)C2)C1 1208930170 KCEACRMSYGAUNI-CQSZACIVSA-N 308.426 -0.035 30 20 DBED C=CCn1cc(C(=O)N2CCC[C@@H](N[C@@H](C)C(=O)NC)C2)nn1 1210010017 KYMIUCDVHQJZIP-NWDGAFQWSA-N 320.397 -0.207 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)CN2CCCC2)C1 1211081988 OLQLTRCHUUZTSQ-AWEZNQCLSA-N 306.410 -0.588 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)c2ccon2)[C@H](OC)C1 1211929617 OTGSSUMCFVIBFA-CYZMBNFOSA-N 320.349 -0.759 30 20 DBED CC#CCN1C[C@@H](NC(=O)CCN2C(=O)CCC2=O)[C@H](OC)C1 1213143192 GHEQVCQMCVGCIB-CHWSQXEVSA-N 321.377 -0.636 30 20 DBED C=CCOCCN1C[C@@H](NC(=O)[C@H](C)CC(N)=O)[C@H](OC)C1 1213264899 JXJIOLKODYJZRQ-JHJVBQTASA-N 313.398 -0.484 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2nc(C)c[nH]2)C[C@H]1C 1215858290 JONKOFQJZJVWSQ-RAIGVLPGSA-N 317.393 -0.094 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(Cc2nc(C)no2)C[C@@H]1O 1219526764 BCLVGSNUGFCNGM-SUNKGSAMSA-N 310.354 -0.634 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2nccn2CC)C[C@@H]1O 1219613583 LRLMFDXGGDDUDJ-KGLIPLIRSA-N 320.393 -0.396 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)C2(S(C)(=O)=O)CCC2)C1 1220654979 SNWHMYWITNSMQY-NEPJUHHUSA-N 314.407 -0.862 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)CS(=O)(=O)C(C)(C)C)C1 1220759941 SMOSPLYBWHEWLS-NEPJUHHUSA-N 316.423 -0.616 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)COc2ccc(OC)cc2)C1 1220961964 RFLRMYNDSOFIBU-CABCVRRESA-N 304.346 -0.132 30 20 DBED C=CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3cnn[nH]3)[C@@H]2C1 1221668705 POFYJSVFUSWEBD-ZYHUDNBSSA-N 304.354 -0.747 30 20 DBED CC(C)(O)CC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCC#N 1225976483 KOCWRPXBRPWETQ-VXGBXAGGSA-N 310.398 -0.196 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)[C@@H]2CCN(C)C2)CC1 1230262868 WMWHJOWKDFKXHG-CYBMUJFWSA-N 308.426 -0.179 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C[C@H]1CCN1Cc1nnn(C)n1 1234215162 JFUCMXRXLOFAMI-VXGBXAGGSA-N 306.370 -0.719 30 20 DBED CC(C)(CCNC(=O)C(=O)Nc1cnn(CC#N)c1)C(=O)O 1261435313 QEGAGBFENUZCFB-UHFFFAOYSA-N 307.310 -0.038 30 20 DBED O=C(CCN1CCOCC1)NCCN/C(O)=C1/N=CC=CC1=O 1318496040 QAFFQYDZYBUSPC-PFONDFGASA-N 322.365 -0.649 30 20 DBED C#CCOCCNC(=O)C(=O)NCc1ccc(C(=O)OC)s1 1326037513 LOJWMXHAPJTDOU-UHFFFAOYSA-N 324.358 -0.083 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N[C@H](C)c1ncnn1C 1326221453 ZXBWVVTUHPXNMW-SECBINFHSA-N 301.372 -0.224 30 20 DBED CC#CC[C@@H](CO)NC(=O)NCC1CCS(=O)(=O)CC1 1326766128 AZCFEOWNWASXFJ-LBPRGKRZSA-N 302.396 -0.115 30 20 DBED C#CCOCCNC(=O)C(=O)N[C@@H]1CCOC2(CCOCC2)C1 1328063954 JWSPBHSWMHJBNJ-CYBMUJFWSA-N 324.377 -0.403 30 20 DBED N#C[C@H]1CCCN(C(=O)C(=O)N[C@H]2CC(=O)N(C3CC3)C2)C1 1333192068 ADSDOARUHISKCU-MNOVXSKESA-N 304.350 -0.372 30 20 DBED C=CCOC[C@@H](NC(=O)NCCN1CCSCC1)C(=O)O 1333318136 RTUVVFZDIUNVSE-LLVKDONJSA-N 317.411 -0.010 30 20 DBED COCCN1CC[C@@H](NC(=O)C(=O)N2CCC[C@@H](C#N)C2)C1 1333852421 VOORUWZHWCHLGQ-QWHCGFSZSA-N 308.382 -0.415 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CCC[C@H](S(C)(=O)=O)C1 1347039099 MAGUATMMNGTWBW-MNOVXSKESA-N 318.395 -0.661 30 20 DBED C#C[C@@H](C)N(C)c1nnc(CC[C@@]2(C)NC(=O)NC2=O)n1C 1355247518 KZMGVNMLJUDTBM-YMTOWFKASA-N 304.354 -0.196 30 20 DBED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)Cn2ncnn2)C1 1362321817 ZRZOIPRJJXFLJM-UWVGGRQHSA-N 321.341 -0.452 30 20 DBED N#Cc1ccncc1N1CCN(C(=O)Cn2cnc(N)n2)CC1 1362949104 MHIUSSNVHMXRIT-UHFFFAOYSA-N 312.337 -0.524 30 20 DBED CC(=O)N1CCC(NC(=O)Cn2cnc(C#N)cc2=O)CC1 1363187278 WUSSOOUXRHJNOU-UHFFFAOYSA-N 303.322 -0.758 30 20 DBED Cn1c(=O)[nH]c(N2CCc3c(O)ncnc3C2)c(C#N)c1=O 1363726769 FLWOYUSAUDPDFT-UHFFFAOYSA-N 300.278 -0.996 30 20 DBED N#CC1(CS(=O)(=O)NCCS(=O)(=O)N2CCCC2)CC1 1364118808 OUDLVRVEGWJITG-UHFFFAOYSA-N 321.424 -0.365 30 20 DBED CCN(C)CCC(=O)N1CCN(CCNC(=O)[C@H](C)C#N)CC1 1385536442 JGRVONCTLQXFJC-CQSZACIVSA-N 323.441 -0.252 30 20 DBED C[C@H](C#N)C(=O)NCC1CN(C(=O)c2ccc(C(N)=O)cn2)C1 1387927340 IQAZKAVQKWDEAW-SECBINFHSA-N 315.333 -0.472 30 20 DBED C[C@H](C#N)C(=O)NCC1CN(C(=O)CCS(C)(=O)=O)C1 1389924716 TUQNOEIGJZVHFZ-SECBINFHSA-N 301.368 -0.845 30 20 DBED N#Cc1cccc(CNC2(CNC(=O)Cn3cnnn3)CC2)c1 1392890651 ZJYKNHKAJVIWDT-UHFFFAOYSA-N 311.349 -0.017 30 20 DBED COc1c[nH]c(C(=O)N2CC(CNC(=O)[C@H](C)C#N)C2)cc1=O 1398816600 SVNORQMWZJGXRR-SECBINFHSA-N 318.333 -0.269 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)COc1ccc(F)cc1 1399825013 GXQSNYVOHBDNBT-ZYHUDNBSSA-N 323.324 -0.043 30 20 DBED C[C@H](C#N)C(=O)N(C)CCNC(=O)CNC(=O)N1CCCC1 1408569765 PGNUDGDPLVZXKR-LLVKDONJSA-N 309.370 -0.474 30 20 DBED COc1cc(C#N)ccc1CN1C[C@H](C(N)=O)[C@@H](C(N)=O)C1 1414017328 NVMIPUCJSDZWHI-RYUDHWBXSA-N 302.334 -0.415 30 20 DBED C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)N(C)C(=O)[C@@H]1COC(=O)N1 1424099320 LAGHCVLBRYJISS-KWQFWETISA-N 319.321 -0.429 30 20 DBED C[C@H](CN(C)C(=O)c1cc(C#N)c[nH]1)NCCN1CCNC1=O 1425556386 ZXJVKXXCSNJEGX-LLVKDONJSA-N 318.381 -0.038 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1cc(C2CC2)on1 1431571915 WWXOSMYPEJJWAZ-SCZZXKLOSA-N 306.322 -0.081 30 20 DBED CC(C)C[C@H](CNC(=O)[C@@H](C)C#N)NC(=O)CCNC(N)=O 1433009343 GOYDLAMSJPOTLE-WDEREUQCSA-N 311.386 -0.148 30 20 DBED CCN(CCNC(=O)[C@H](C)CS(C)(=O)=O)C(=O)[C@H](C)C#N 1455599503 SDMWIAHVEIFRRR-GHMZBOCLSA-N 317.411 -0.209 30 20 DBED COC(=O)c1cn(CCNC(=O)c2ccc(C#N)n2C)nn1 1460015856 OOIHQLKFWFCYKI-UHFFFAOYSA-N 302.294 -0.295 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)CC[C@H]2NC(=O)NC2=O)C1 1566679907 LQTLEGXPTLURBN-NWDGAFQWSA-N 324.381 -0.632 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@H]2C[C@H](N)C2(C)C)CC1 1574707389 RDUFPCOFHGQUDT-OLZOCXBDSA-N 306.410 -0.747 30 20 DBED CN1C[C@@H](CCNc2cnc(C#N)c(-c3nn[nH]n3)n2)CC1=O 1579320164 JFOTXDGGBKSKOK-QMMMGPOBSA-N 313.325 -0.191 30 20 DBED C#CC[C@H](COC)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cn1 1588333865 GVUVRLYFJIXJBO-SNVBAGLBSA-N 322.350 -0.422 30 20 DBED N#Cc1ncn(CCNC(=O)c2cc(-c3nn[nH]n3)cs2)n1 1592709928 NAQRZYSEOLMDAX-UHFFFAOYSA-N 315.322 -0.179 30 20 DBED Cn1ccc([C@H](NS(=O)(=O)c2cncc(C#N)c2)C(=O)O)n1 1600977065 YIFICGVUTRKVAM-NSHDSACASA-N 321.318 -0.209 30 20 DBED C#Cc1cncc(C(=O)N2CC(NC(=O)[C@H]3C[C@H]3C(=O)O)C2)c1 1602742895 CLPLFVGLDZFAMW-QWHCGFSZSA-N 313.313 -0.276 30 20 DBED N#C[C@H]1CSCCN1S(=O)(=O)c1n[nH]cc1C(=O)O 1608179861 QCHUAJGOJAAGNW-LURJTMIESA-N 302.337 -0.262 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)CCc2ccn(C)n2)C1 1713083346 TWIDHMQSSRPCAI-AWEZNQCLSA-N 317.393 -0.707 30 20 DBED C=CCOCCN[C@@H](C)CNC(=O)c1cn(C)c(=O)nc1O 1752917845 ULEULGUAACOYSP-JTQLQIEISA-N 310.354 -0.604 30 20 DBED CNC(=O)NC(=O)CNC[C@@H]1CCN(C(=O)C#CC(C)C)C1 1752939328 RFNZUMIKRWEHEQ-LBPRGKRZSA-N 308.382 -0.461 30 20 DBED C#CCNC(=O)CN1CC[C@H](CNC(=O)CN2CC[C@H](C)C2)C1 1753136013 RLDTXZNVLCZKKQ-LSDHHAIUSA-N 320.437 -0.484 30 20 DBED C#CCNC(=O)CN1CC[C@@H](N(CC)C(=O)[C@@H]2CCN(C)C2)C1 1753462186 SICUTEOADSZRLO-HUUCEWRRSA-N 320.437 -0.390 30 20 DBED C=CCCC(=O)NC[C@H]1CN([C@H](C)C(=O)NC(N)=O)CCO1 1753656509 HOHONZHJHFZNQS-MNOVXSKESA-N 312.370 -0.647 30 20 DBED C#Cc1cncc(C(=O)NC[C@@H](O)CNCc2cnsn2)c1 1753927074 CFPNAQNNLBFIPJ-ZDUSSCGKSA-N 317.374 -0.205 30 20 DBED C#CCNC(=O)CNC/C=C/CNC(=O)c1ccc(C#C)nc1 1754197860 SVOSVWQTNNPWJJ-AATRIKPKSA-N 310.357 -0.312 30 20 DBED COCC#CCNC[C@H](C)NC(=O)[C@@H](C)CS(C)(=O)=O 1754296255 GXWOQCKYWSKNFV-RYUDHWBXSA-N 304.412 -0.589 30 20 DBED COCC#CCNC1(CNC(=O)c2nnn(C(C)(C)C)n2)CC1 1754514715 HBJNQUZOMKRDCY-UHFFFAOYSA-N 320.397 -0.070 30 20 DBED C=CCNC(=O)[C@H](C)N1CC(O)(CNC(=O)c2coc(C)n2)C1 1754776154 YBLULJXMHQWHKO-JTQLQIEISA-N 322.365 -0.550 30 20 DBED N#CCNCCN(CCO)C(=O)Cn1ccc(C(F)F)n1 1754883089 DVWRZLUBEMUDEB-UHFFFAOYSA-N 301.297 -0.245 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC[C@@](CO)(NCc2cnon2)C1 1755083118 KBIQKTLKOVBNIG-IUODEOHRSA-N 322.365 -0.449 30 20 DBED C#CCNC(=O)CN(C)C[C@@H]1CCCN1C(=O)Cc1cc[nH]n1 1755188988 LALYRJDMWDVFQX-AWEZNQCLSA-N 317.393 -0.376 30 20 DBED C#CCN(C)C[C@@H](O)CN(C)C(=O)[C@H](OC)c1cnn(C)c1 1755802356 CMHMWBVSSHQBLR-ZIAGYGMSSA-N 308.382 -0.508 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@H](C)N(C)C(=O)CC(=O)NC 1756039262 FEDIKBUQJOFTGX-OLZOCXBDSA-N 322.409 -0.817 30 20 DBED C#CCCCC(=O)NC1(CCO)CN(C(=O)c2ccnn2C)C1 1756079918 OMFCHNCNNSXUEH-UHFFFAOYSA-N 318.377 -0.083 30 20 DBED C=CCOCC(=O)N[C@@H]1CCC[C@H](NC(=O)c2nnn(C)n2)C1 1756228950 OJXSUCSDIRCGHT-MNOVXSKESA-N 322.369 -0.430 30 20 DBED CC(C)(C)C#CC(=O)N[C@H](CO)CNC(=O)CCn1ccnc1 1756536595 ZIDVKBPZYBUCSA-ZDUSSCGKSA-N 320.393 -0.084 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)COCCOC)CCO2 1783049505 BJRFSMYAGVSIDR-OAHLLOKOSA-N 310.350 -0.888 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)n1cccn1)CCO2 1783053641 NHGHWXFFIBLJIC-CJNGLKHVSA-N 316.361 -0.093 30 20 DBED N#CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3CC(=O)C3)C[C@@H]21 1786369879 ZZVJZHGSKSBQED-BPNCWPANSA-N 319.361 -0.141 30 20 DBED C=CC[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(O)O 1792800108 BAABARQDGCXGKP-WISYIIOYSA-N 312.366 -0.901 30 20 DBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1C[C@H]1F)C2 1800778534 GWFPIXSDQYOSCH-DMIRSCGOSA-N 324.308 -0.978 30 20 DBED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCOC[C@@H]2C#N)CC1 91622968 QAIRLVPMYSWNTB-LSDHHAIUSA-N 319.409 -0.097 30 20 DBED CC(=O)c1cn(CC(=O)N[C@@](C)(C#N)C(C)C)c(=O)n(C)c1=O 134565255 YUSUVTLFXMMFFH-HNNXBMFYSA-N 320.349 -0.196 30 20 DBED C#CCSCCNC(=O)CN(C)[C@@H]1CCS(=O)(=O)C1 156117776 GXUQGRTVFSHWJU-LLVKDONJSA-N 304.437 -0.412 30 20 DBED C=CCCS(=O)(=O)N1CCC[C@H](N2CCNCC2=O)C1 186121965 YZJBGHHGCVKWRR-LBPRGKRZSA-N 301.412 -0.212 30 20 DBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H]1COCCO1 268394275 QJUVBESAUFAECV-YPMHNXCESA-N 317.349 -0.199 30 20 DBED CC(=O)N(C)CC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 268427312 XUEKIXGXXHEASG-LLVKDONJSA-N 316.365 -0.136 30 20 DBED N/C(=N\C[C@@H](O)CS(=O)(=O)c1cccs1)NC1CC1 269717788 SSVPMRSJYWWRTE-SECBINFHSA-N 303.409 -0.051 30 20 DBED CC(C)Oc1ccc(NC(=O)C(=O)NC[C@@H](O)CO)cc1C#N 275712988 NEKXPLPVDQUIES-GFCCVEGCSA-N 321.333 -0.247 30 20 DBED Cc1ccc(C#N)cc1S(=O)(=O)NC[C@@H]1CC(C(N)=O)=NO1 275826930 BUGVARYNWBPHJV-JTQLQIEISA-N 322.346 -0.225 30 20 DBED Cc1cc(S(=O)(=O)N2CCO[C@H](C(N)=O)C2)ccc1C#N 277764070 DGCPBEVUUSEYOG-LBPRGKRZSA-N 309.347 -0.259 30 20 DBED CNC(=O)Cn1cc(N=C(O)N2CC(=O)N(C)[C@H](C)C2)cn1 330412360 VDODIICAOJUIAI-SECBINFHSA-N 308.342 -0.663 30 20 DBED CC(=O)N1CCN(C(=O)CC/N=C(/O)c2cn(C)cn2)CC1 330502085 BGYDEYPRCZGLSZ-UHFFFAOYSA-N 307.354 -0.195 30 20 DBED C/N=C(/O)NC(=O)[C@@H](C)Sc1nnnn1CCN(C)C 330521974 RTHFKPUJXGARKM-SSDOTTSWSA-N 301.376 -0.625 30 20 DBED CNS(=O)(=O)c1ccc(C(=O)N2CCN(CC#N)CC2)o1 330784537 RZFLMXJXLIJIRX-UHFFFAOYSA-N 312.351 -0.531 30 20 DBED CCOCC/N=C(/O)N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 331204090 RWMCVRTWRQLWPH-SNVBAGLBSA-N 310.358 -0.036 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N[C@@H](C(N)=O)c2ccccc2)CCO1 336907550 FYQLVYAPAJGDPK-VXGBXAGGSA-N 324.362 -0.728 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)NCCCS(C)(=O)=O 336909608 HRGYNBDQBIPXTQ-SNVBAGLBSA-N 311.429 -0.263 30 20 DBED CC(C)N1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)CC1 336912604 JMAIGYHNOQIFSN-GFCCVEGCSA-N 302.400 -0.518 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1C[C@H]2[C@H](O)CC[C@H]2C1 336952235 VNOGLSXHEWTDJN-YNEHKIRRSA-N 317.411 -0.204 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1CCN(C)C[C@H]1C 337080842 XSAXGULQGDKFKD-GFCCVEGCSA-N 304.416 -0.271 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)NCc2cncnc2N)cc1 339723366 JNGYIONCEGJVKF-UHFFFAOYSA-N 310.317 -0.023 30 20 DBED CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)NCC(=O)NCC#N 343511241 WOIWYMAFUHEPCJ-AAEUAGOBSA-N 323.397 -0.038 30 20 DBED COC(=O)[C@@H]1CNC(=O)CN1C(=O)c1cccc(CC#N)c1 344949058 QTNOXKJCMXMLSB-LBPRGKRZSA-N 301.302 -0.134 30 20 DBED C=CCNc1nnc(S(=O)(=O)[C@H](C)C(=O)N(C)C)s1 352747026 ULDQHWTUSMPOKJ-SSDOTTSWSA-N 304.397 0.386 30 20 DBED C=C[C@@H](CO)NC(=O)C(=O)Nc1cc(C(=O)NC)ccc1C 354709616 NNPXNRSREVJLCP-NSHDSACASA-N 305.334 -0.044 30 20 DBED COc1ccc(C#N)cc1NC(=O)C(=O)N(C)[C@@H]1COC[C@@H]1O 356925359 QMYVOQSQFLUBKT-NEPJUHHUSA-N 319.317 -0.277 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@H](C)N(C)[C@@H](C)C2)C1=O 358671746 CYTFCTCAGZFIBV-QWRGUYRKSA-N 322.365 -0.486 30 20 DBED C[C@@H]1CN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)C[C@H]1O 359427982 NNTTXPXRBKLLSC-MWLCHTKSSA-N 319.365 0.287 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCOC[C@@H](C)C2)C1=O 378261416 SXKSRNMRJQOJBL-JTQLQIEISA-N 309.322 -0.542 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)NC[C@H](C)CNC)CC1 418370124 OXPICCKFFJTTCC-CYBMUJFWSA-N 311.430 -0.529 30 20 DBED CCN(CCC#N)C(=O)CN1CCC([C@@H](O)C(=O)OC)CC1 441261057 NFPQEFWAPCHWRK-CQSZACIVSA-N 311.382 -0.006 30 20 DBED C#CCNC(=O)C1CCN(C(=O)NCCOCCOC)CC1 491069374 VJJNLXPHDZDTLF-UHFFFAOYSA-N 311.382 -0.180 30 20 DBED CCN1CCO[C@@H](C(=O)N(C)CCCc2[nH]nc(N)c2C#N)C1 536560743 JSTVEYCEFFXIAD-CYBMUJFWSA-N 320.397 -0.025 30 20 DBED CN(CCC#N)C[C@@H](O)CNCCC(C)(C)S(C)(=O)=O 563008066 RIEORRRUEPMLPO-LBPRGKRZSA-N 305.444 -0.004 30 20 DBED CNC(=O)[C@H](C)NC(=O)CNS(=O)(=O)c1cccc(C#N)c1 563756601 PYAQBMQYEPCPGG-VIFPVBQESA-N 324.362 -0.913 30 20 DBED CN(CCC#N)C[C@H](O)CNCCN1CCN(C)C(C)(C)C1 566124805 MYZOJOFMMRDGPV-OAHLLOKOSA-N 311.474 -0.192 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN(C)C[C@@H]1CN 566905028 XKMNMMGZGJQDDI-RDBSUJKOSA-N 324.425 -0.815 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N[C@H](CO)CC2CCCC2)CCO1 572304852 AIGSRPAUPRHLGM-QWHCGFSZSA-N 317.411 -0.014 30 20 DBED COC(=O)CN(CC#N)C(=O)Cn1nnnc1-c1ccsc1 573491060 VFQPJOZNGQVCMA-UHFFFAOYSA-N 320.334 -0.073 30 20 DBED CCC1(CC)NC(=O)N(CC(=O)N2CC[C@](O)(CC#N)C2)C1=O 592840875 YVPYXWCJFZOEPM-CQSZACIVSA-N 322.365 -0.026 30 20 DBED N#Cc1ccc(C(=O)N2CCCC[C@H]2CNS(N)(=O)=O)[nH]1 597736680 NGVGJGXAIOSSIS-JTQLQIEISA-N 311.367 -0.326 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N(C)[C@@]1(CO)CCOC1 601427133 VUNOXFQIXDIITJ-VXGBXAGGSA-N 305.400 -0.204 30 20 DBED C[C@H](NS(=O)(=O)N(C)[C@@H](C)CC#N)[C@H]1CN(C)CCO1 619750899 PPNBQFNEYXKMFJ-SDDRHHMPSA-N 304.416 -0.226 30 20 DBED C=C(C)CN(C)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 679291617 ZKEZLKCICMAYNY-UHFFFAOYSA-N 318.443 -0.219 30 20 DBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@H](CO)C1CC1 771040658 ONRWXDISHKPFFY-LLVKDONJSA-N 323.374 -0.388 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N1CCN(C(C)C)C(=O)C1 783014987 YRUCEJHXWUPJLO-UHFFFAOYSA-N 317.411 -0.151 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N1CCN2C(=O)NC[C@H]2C1 783307229 DZSMFKKIMDCYNY-JTQLQIEISA-N 316.383 -0.994 30 20 DBED C[C@H](NC(=O)NCCNc1ncccc1C#N)c1nnnn1C 790247717 UUPFCAOLMMQPGN-VIFPVBQESA-N 315.341 -0.051 30 20 DBED N#Cc1ccncc1C(=O)NCCS(=O)(=O)N1CCOCC1 808331386 DIHIVIRMXMUVPJ-UHFFFAOYSA-N 324.362 -0.655 30 20 DBED CN(C)C(=O)CN1CCN(C(=O)COC(=O)CCCC#N)CC1 812614106 HGNUXNLCWKFITE-UHFFFAOYSA-N 324.381 -0.544 30 20 DBED CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)N[C@H]1CCCN(O)C1=O 820475869 BQPKFQPTFBBHLI-IUCAKERBSA-N 321.399 -0.553 30 20 DBED C=CCS(=O)(=O)CCNC(=O)[C@H](CCC)S(N)(=O)=O 831991884 UARTWLZPBIRZBP-VIFPVBQESA-N 312.413 -0.839 30 20 DBED Cc1ccc(S(N)(=O)=O)c(C(=O)N[C@@H]2CNC[C@H]2C#N)c1 843460273 MXGNPIYJBPNLLN-MWLCHTKSSA-N 308.363 -0.516 30 20 DBED C=C[C@@H](C)ONC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 846545438 HBMLJWNOWBPHOF-SSDOTTSWSA-N 316.339 -0.986 30 20 DBED C#CCC[C@@H](O)CNC(=O)c1cc(S(N)(=O)=O)ccc1O 847174655 VALRWVRQJLMDNA-SECBINFHSA-N 312.347 -0.456 30 20 DBED C[C@H](C#N)CN(C)C(=O)C(=O)N1CC[C@H](N2CCOC2=O)C1 850692745 ROEUPZMFHAJPAS-MNOVXSKESA-N 308.338 -0.342 30 20 DBED N#Cc1ccccc1OCC(=O)NN1CCS(=O)(=O)CC1 862738792 MADJIYSFPUKKNM-UHFFFAOYSA-N 309.347 -0.301 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H](CC(C)=O)C(=O)O 863407097 DYGFAMADGFKOAE-SCZZXKLOSA-N 305.356 -0.265 30 20 DBED C#CC[C@H](CCOC)NC(=O)c1ccnc2c(C(N)=O)cnn12 863784318 JBWFGPYWVVQBGV-SNVBAGLBSA-N 315.333 -0.014 30 20 DBED C#C[C@@](C)(CC)NS(=O)(=O)CCCS(=O)(=O)N(C)C 867321895 ZQRUWWDJAJWYRH-NSHDSACASA-N 310.441 -0.011 30 20 DBED C#CCCN1CCN(S(=O)(=O)C[C@H](COC)OC)CC1 881811575 FTGKUIQPGKOBMI-ZDUSSCGKSA-N 304.412 -0.382 30 20 DBED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C1CN(S(C)(=O)=O)C1 907947543 HRMJSBJDBFVFSI-CMPLNLGQSA-N 302.396 -0.025 30 20 DBED CCN(C[C@H](C)C#N)C(=O)COC(=O)[C@@H]1CCS(=O)(=O)C1 919016528 UZRLMLVSUVAAJH-GHMZBOCLSA-N 316.379 -0.028 30 20 DBED C#CCN1CCC[C@H](NC(=O)[C@H](CCC)S(N)(=O)=O)C1 923559513 HBEYETURJVZNEC-RYUDHWBXSA-N 301.412 -0.343 30 20 DBED C=CCC1(O)CCN(C(=O)Cn2cc(C(=O)OC)nn2)CC1 924436963 HEUZJTWSEKSKMG-UHFFFAOYSA-N 308.338 -0.006 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N1CCOC[C@@H]1COC 931095227 XMFWYMQMQFOMMB-STQMWFEESA-N 312.366 -0.595 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ncn(C)n2)C1 938860399 DTDSIPBRGRDBNH-TUAOUCFPSA-N 319.365 -0.263 30 20 DBED CO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1NC(=O)c1cnn(C)c1 941156281 KNGMHGDDYKDXNQ-MVWJERBFSA-N 305.338 -0.465 30 20 DBED N#Cc1cc(C(=O)N2C[C@H]3C[C@H]2[C@H]3NC(=O)c2cnon2)c[nH]1 947822524 DHTHVTRLUOGHSF-ZHAHWJHGSA-N 312.289 -0.088 30 20 DBED C#CCN1CC[C@@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)C[C@H]1C 947998712 NHOWCHYOGJGDPX-VXGBXAGGSA-N 320.393 -0.081 30 20 DBED O=C(NC[C@@H]1CCN1C(=O)C#CC1CC1)c1cccn2nnnc12 950163301 SUCKWCGCPIVPCM-LBPRGKRZSA-N 324.344 -0.132 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N(C)C(=O)c2nnn(C)n2)C1 955029590 AJZOQMVKWUXWIR-MNOVXSKESA-N 320.353 -0.916 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCNC2=O)C1 958910942 KYBXWFOIZWMJPO-WOPDTQHZSA-N 323.393 -0.635 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@H](NC(=O)Cc2cc[nH]n2)C1 962011670 CNRDGFVQKJITAT-NEPJUHHUSA-N 306.366 -0.148 30 20 DBED C=CCN1CC[C@H](N2C[C@H]3[C@H](NC(=O)c4cnon4)[C@H]3C2)C1=O 962101808 QRDYIAKOXPHXMX-JULQROHOSA-N 317.349 -0.484 30 20 DBED O=C(N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O)c1ncccc1O 962434256 FKMFCVGDRYFWCY-YPMHNXCESA-N 315.329 -0.498 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)c1cn(C)cn1 964151906 VHUAKVNIVIMUQM-QWRGUYRKSA-N 305.338 -0.463 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(C[C@@H](NC(=O)c3ncn(C)n3)CO2)C1 965696296 PEUHOMLJXHSYHC-VHSXEESVSA-N 318.337 -0.926 30 20 DBED CC#CCN1CC[C@H](C)[C@H](NC(=O)c2cn(CC(N)=O)nn2)C1 968681583 KDYUHMLOIPZIAR-NWDGAFQWSA-N 318.381 -0.773 30 20 DBED CCc1c(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)cnn1C 968716889 AYOLTNSFNSIARX-NDMJEZRESA-N 319.365 -0.556 30 20 DBED C=CCN1CC[C@H](N2CC([C@H](C)NC(=O)c3cnn[nH]3)C2)C1=O 970025893 AGABJJDTQNQYRH-GWCFXTLKSA-N 318.381 -0.358 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](NCc2nnn(C)n2)C1 970241663 LRPMPOZBTBWGDO-DYEKYZERSA-N 320.397 -0.118 30 20 DBED C#CCCN1CCO[C@@]2(CCN(C(=O)C[C@H]3CCNC3=O)C2)C1 972408317 JUJLHFZEXSVDPK-PBHICJAKSA-N 319.405 -0.161 30 20 DBED CN(C[C@H]1CCN1C(=O)C#CC1CC1)C(=O)[C@H]1CCNC1=O 978157116 VIXIOTIFZCDCRN-OLZOCXBDSA-N 303.362 -0.405 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H](CN[C@@H]2CCNC2=O)C1 983903853 GXHNCZBZVJRSSW-TUVASFSCSA-N 318.421 -0.543 30 20 DBED CC#CCN1CC[C@@]2(NC(=O)Cn3ncn(C)c3=O)CCC[C@@H]12 991475062 RYIWTXPSNAFTKF-CJNGLKHVSA-N 317.393 -0.282 30 20 DBED C#CCN[C@@H]1CCCN(C(=O)CN2CCCCS2(=O)=O)C1 999724828 KEBGPCNWJYCNED-CYBMUJFWSA-N 313.423 -0.374 30 20 DBED C#CCN1CC[C@@H](n2cc(CNC(=O)c3cncn3C)nn2)C1 1000002981 NVZZRBHSUGHTCO-CYBMUJFWSA-N 313.365 -0.178 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)c2n[nH]c(C)c2O)C1 1000006678 YPYNMGOLUPBYDL-MNOVXSKESA-N 320.349 -0.045 30 20 DBED CC#CCN1CC[C@H](n2cc(CNC(=O)c3nc[nH]n3)nn2)C1 1000028263 GPILIJUFCRIYOO-LBPRGKRZSA-N 314.353 -0.404 30 20 DBED C=C(C)CN[C@H]1CCCN(C(=O)c2cn(CC(N)=O)nn2)C1 1000998494 DWYOFZXVABDOFA-NSHDSACASA-N 306.370 -0.466 30 20 DBED CCn1nc(C(=O)NCC2CN(C(=O)[C@H](C)C#N)C2)ccc1=O 1003675821 WHKMQJJZQLNTNM-SNVBAGLBSA-N 317.349 -0.389 30 20 DBED O=C1NCC[C@@H]1C(=O)NCC1[C@H]2CN(C(=O)C#CC3CC3)C[C@H]12 1009328482 CFMFQDHNHDACIN-IACUBPJLSA-N 315.373 -0.644 30 20 DBED N#Cc1cc(C(=O)N[C@H]2CCN(Cc3nc(O)n[nH]3)C2)c[nH]1 1010692024 USEPFIKUDVQHHE-VIFPVBQESA-N 301.310 -0.286 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C(=O)CC2CS(=O)(=O)C2)CC1 1011347608 YKQCTHPJGGNESG-JTQLQIEISA-N 313.379 -0.748 30 20 DBED N#Cc1ccc(C(=O)NC2[C@@H]3CN(C(=O)c4cnon4)C[C@@H]23)[nH]1 1012969499 APEXMNKZEGLREK-RKDXNWHRSA-N 312.289 -0.230 30 20 DBED CCOc1nc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2O)co1 1024754630 IYXCEJVJDXVOAT-FXPVBKGRSA-N 322.321 -0.466 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)c3ncn(C)n3)C[C@H]2O)C1 1025524887 UHFOBIWUUAGQPN-GHMZBOCLSA-N 319.365 -0.527 30 20 DBED N#CCN1CC[C@@H](CNC(=O)[C@H]2CCc3nnc(O)n3C2)C1 1028640593 RHXQJHJSOGDCNU-QWRGUYRKSA-N 304.354 -0.492 30 20 DBED C=C(Br)CN1CC(NC(=O)[C@@H]2CCNC2=O)C1 1030788336 SPRZVJCXHVYJAF-SECBINFHSA-N 302.172 -0.169 30 20 DBED CC#CCN1CCO[C@@H](CNC(=O)c2cnc(N(C)C)cn2)C1 1035371304 RTAORMLCAIEVGD-ZDUSSCGKSA-N 317.393 -0.004 30 20 DBED C#CCCN1CCO[C@H](CNC(=O)[C@@H]2CCc3nn[nH]c3C2)C1 1035575220 YBRNOLLIOGTPQC-CHWSQXEVSA-N 317.393 -0.250 30 20 DBED CC1(C)CC(=O)N(CC(=O)N[C@H]2[C@H]3C[C@H]2N(CC#N)C3)C1=O 1037407100 HPRAUHMNDOSVJU-CWSCBRNRSA-N 304.350 -0.516 30 20 DBED C=CCN[C@H]1CCN(C(=O)Cn2ncn(C)c2=O)C[C@@H]1CC 1037869479 OEWLMHFMPSDBEY-STQMWFEESA-N 307.398 -0.016 30 20 DBED C[C@H]1[C@@H](Nc2cncc(C#N)n2)CCN1C(=O)[C@@H]1CNC(=O)N1 1040235002 ZNTPVLMCJSCEDF-LSJOCFKGSA-N 315.337 -0.569 30 20 DBED N#Cc1nccc(N2C[C@@H](O)[C@H](NC(=O)c3cnccn3)C2)n1 1040917293 PHOWTNKYSGNOSM-GHMZBOCLSA-N 311.305 -0.882 30 20 DBED N#Cc1cnccc1N1C[C@@H](O)[C@H](NC(=O)Cn2cccn2)C1 1040926404 WCZDLTATJQULIY-TZMCWYRMSA-N 312.333 -0.484 30 20 DBED N#CCSCC(=O)N1CC(O)(CNC(=O)c2ccc[nH]2)C1 1041438921 XRFVROJCSIWNOM-UHFFFAOYSA-N 308.363 -0.425 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(O)(CNC(=O)c2ccnn2C)C1 1041898038 ULOBZERPSDVBLY-AWEZNQCLSA-N 322.365 -0.950 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)[C@H]2CCCOC2)C1 1043039895 KOGZNBNNTYSKMC-OLZOCXBDSA-N 324.377 -0.859 30 20 DBED C=CCCOCC(=O)N1CC(O)(CNC(=O)c2ccn(C)n2)C1 1043125693 LLKSNNFYYHDWMR-UHFFFAOYSA-N 322.365 -0.684 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)c2nc(C)c[nH]2)C1 1043222383 NJSQYRCVYFYRSU-UHFFFAOYSA-N 304.350 -0.175 30 20 DBED N#Cc1nccc(N2C[C@H](O)[C@H](NC(=O)c3cncnc3)C2)n1 1043918652 RFTWXQQHCPABAB-MNOVXSKESA-N 311.305 -0.882 30 20 DBED C=C(C)CCC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[C@@H]2C(N)=O)C1 1044442765 JJFWIAAQWHYQJY-NWDGAFQWSA-N 323.393 -0.456 30 20 DBED CC(C)N1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@H](C)C#N)C1 1045553007 ZDGLYEYZJUOIFK-OLZOCXBDSA-N 322.409 -0.292 30 20 DBED C#CCN1CC[C@@H](N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 1046010759 UHMLBPIQEKVMBR-CVEARBPZSA-N 304.438 -0.068 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCn3cc(C)nc3C2)C1 1047427896 MSXBODZLERGHQP-ILXRZTDVSA-N 316.405 -0.109 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2COCCO2)C1 1048327709 RQTKWYDUCMJPHO-IHRRRGAJSA-N 324.377 -0.765 30 20 DBED CN1CCOC[C@H]1C(=O)N1CC[C@@H](N2CCN(CC#N)CC2)C1 1052017426 ISOZNXSCBDPRBN-CABCVRRESA-N 321.425 -0.941 30 20 DBED C=CCCN1CCC[C@H](NC(=O)CN2CCNC(=O)C2)CC1 1052622577 VIHNDYXHIIHDLJ-AWEZNQCLSA-N 308.426 -0.035 30 20 DBED C#CCN1CC2(CC[C@@H](CNC(=O)[C@H]3CCCN3C(C)=O)O2)C1 1053701343 SJTHDGJFZDZEFL-LSDHHAIUSA-N 319.405 -0.020 30 20 DBED C=C(Cl)CN1CC2(C[C@@H](NC(=O)[C@@H]3COC(=O)N3)CO2)C1 1053790771 BNWNMRHUMXURAI-ZJUUUORDSA-N 315.757 -0.193 30 20 DBED C=C(C)CN1CC2(C[C@H](NC(=O)Cn3c(O)nnc3O)CO2)C1 1053993980 ZFGHBKGGXHBSLP-JTQLQIEISA-N 323.353 -0.775 30 20 DBED CC(C)(C)C#CC(=O)N1C[C@@H]2CN(C(=O)CC(N)=O)C[C@@H]2C1 1055263696 NDBHXOAAOSWJOQ-TXEJJXNPSA-N 305.378 -0.172 30 20 DBED C#CCCCC(=O)N1C[C@H]2CN(C(=O)[C@H]3CNC(=O)N3)C[C@H]2C1 1055310285 HAGFJBOYWOKLJE-FRRDWIJNSA-N 318.377 -0.612 30 20 DBED C=CCCCC(=O)N[C@@]1(CO)CCCN(C(=O)CC(N)=O)C1 1056084946 CESUJQKAMCAUJF-HNNXBMFYSA-N 311.382 -0.312 30 20 DBED C=C[C@H](C)[C@H](C)C(=O)NCCN(CCO)C(=O)CNC(N)=O 1056919261 MXFZNTRSGGHBDA-QWRGUYRKSA-N 314.386 -0.950 30 20 DBED C=CCCO[C@@H](C)C(=O)N(CCO)CCNC(=O)COCC 1057143916 DZXYKBZGRNBJON-ZDUSSCGKSA-N 316.398 -0.059 30 20 DBED O=C(C#CC1CC1)NCCN(CCO)C(=O)c1ncccc1O 1057410625 UVBWDWSEKBSUFM-UHFFFAOYSA-N 317.345 -0.249 30 20 DBED C=C[C@](C)(O)CC(=O)N(CCO)CCNC(=O)[C@H](C)COC 1057449505 DGSLFKOBZCEVBQ-DOMZBBRYSA-N 316.398 -0.467 30 20 DBED C=C(C)C[C@H](C)C(=O)NCCN(CCO)C(=O)c1ncn(C)n1 1057498852 NAVSZEAHWNTLJY-LBPRGKRZSA-N 323.397 -0.032 30 20 DBED C=CC(C)(C)CC(=O)N(CCO)CCNC(=O)c1nnn(C)n1 1057696996 FXVMMTUUNRQPFX-UHFFFAOYSA-N 324.385 -0.637 30 20 DBED N#Cc1nccnc1N1CC[C@H](NC(=O)[C@@H]2COCCO2)C1 1058305224 SFPGKCBEIWNVIQ-JQWIXIFHSA-N 303.322 -0.541 30 20 DBED N#Cc1cncc(N2CC[C@@H](NC(=O)C[C@@H]3CCNC3=O)C2)n1 1058465743 YGJQYNYAUIYZQY-WDEREUQCSA-N 314.349 -0.431 30 20 DBED Cc1nc(N[C@H]2CCN(C(=O)Cn3ncnn3)C2)ccc1C#N 1058970109 OQBSKXYYZIPVGH-LBPRGKRZSA-N 312.337 -0.039 30 20 DBED C=CCOCC(=O)NC[C@H]1COCCN1C(=O)Cc1ccon1 1061423393 JIUDJOVZLOZLBH-ZDUSSCGKSA-N 323.349 -0.237 30 20 DBED O=C(C#CC1CC1)NC[C@H]1COCCN1C(=O)[C@H]1COCCO1 1061569197 AAJGJPVVFJXCTG-UONOGXRCSA-N 322.361 -0.841 30 20 DBED CC(C)N(C)CC(=O)NC[C@H]1COCCN1C(=O)[C@@H](C)C#N 1061651415 OZKYNNYFOYRNMP-STQMWFEESA-N 310.398 -0.170 30 20 DBED C=CCO[C@@H](C)C(=O)NC[C@H]1COCCN1C(=O)CCOC 1061668532 RRZPTMGSWQHMHW-STQMWFEESA-N 314.382 -0.042 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)CCn1cccn1 1061845288 GXZPFTVKBVQZTF-STQMWFEESA-N 319.365 -0.224 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)c1cnccn1 1061845482 IENJGOYMTTVSNC-WDEREUQCSA-N 303.322 -0.407 30 20 DBED CC(C)(C(N)=O)C(=O)N1CCC[C@H]1CN=c1cc[nH]c(C#N)n1 1064964153 ABEZTLPWWDVLHH-JTQLQIEISA-N 316.365 -0.315 30 20 DBED C=CCCOCC(=O)NC[C@@H]1CN(C(=O)c2ncc[nH]2)CCO1 1065125409 YMXYQSIYTPCMIT-GFCCVEGCSA-N 322.365 -0.040 30 20 DBED C[C@H](CC(N)=O)C(=O)NC[C@H]1CN(C(=O)C#CC2CC2)CCO1 1065136311 ADCHHOIGYAKJBO-YPMHNXCESA-N 321.377 -0.745 30 20 DBED Cc1nccc(C(=O)N2CCO[C@H](CNC(=O)[C@H](C)C#N)C2)n1 1065176068 KWDMTICOKDJEFP-ZYHUDNBSSA-N 317.349 -0.098 30 20 DBED Cc1nc(O)[nH]c1C(=O)N1CCO[C@@H](CNC(=O)[C@@H](C)C#N)C1 1065265770 NVRYPZVLDFVVFL-WPRPVWTQSA-N 321.337 -0.459 30 20 DBED CO[C@@H](C)C(=O)N1CCC(O)(CN=c2cc[nH]c(C#N)n2)CC1 1067468766 CBAPRUBROAYNTI-NSHDSACASA-N 319.365 -0.430 30 20 DBED N#Cc1cnccc1N1CCO[C@]2(CCN(C(=O)C(N)=O)C2)C1 1068084025 SINYMRYPMDWZRG-OAHLLOKOSA-N 315.333 -0.754 30 20 DBED Cn1nnc(C(=O)NCC2[C@@H]3CN(c4ccc(C#N)cn4)C[C@@H]23)n1 1068193289 YFGUYDVZHRIFMR-RYUDHWBXSA-N 324.348 -0.411 30 20 DBED C=CCCC(=O)N1CC2(CN(C(=O)Cn3cnnn3)CCO2)C1 1068294026 DPLUJSMEAZDTBC-UHFFFAOYSA-N 320.353 -0.921 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CCC2(CN(C(=O)CCN(C)C)C2)O1 1068623094 QVCZLDRGRLFXJB-QWHCGFSZSA-N 322.409 -0.026 30 20 DBED C=CCCC(=O)N[C@@H]1COC2(C1)CN(C(=O)[C@H](C)NC(C)=O)C2 1068747803 NETHKFAQPDMHFJ-AAEUAGOBSA-N 323.393 -0.037 30 20 DBED C[C@H]1[C@H](Nc2cnc(C#N)cn2)CCN1C(=O)CS(C)(=O)=O 1068775409 XPGOYCKREWCEAM-GXSJLCMTSA-N 323.378 -0.206 30 20 DBED C#CCN[C@@H]1CN(C(=O)Cc2[nH]cnc2C)C[C@@H]1n1ccnn1 1070317413 PMJVLARMNQSUOP-KGLIPLIRSA-N 313.365 -0.473 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)[C@]2(F)CCOC2)CC1 1070991099 FKHIFEIVZQOKCX-HNNXBMFYSA-N 311.357 -0.601 30 20 DBED C=CCOCCCC(=O)N[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1C 1071839990 SFXYQLRNLOUMQX-VXGBXAGGSA-N 311.382 -0.192 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(C)(NC(=O)Cn2nccn2)CC1 1073228631 FIRWMHCWZRUVKX-NSHDSACASA-N 304.354 -0.065 30 20 DBED C=CCN1CCC2(C1)CN(C(=O)[C@@H]1COCCN1C(C)=O)C2 1073443338 KKBIRSUJDVDIFA-AWEZNQCLSA-N 307.394 -0.046 30 20 DBED CO[C@@H](C)CC(=O)N1CCN(C2CN(C(=O)[C@H](C)C#N)C2)CC1 1073549688 ROZWAYAVAPIULG-OLZOCXBDSA-N 322.409 -0.074 30 20 DBED COc1cnc(C(=O)NC[C@@H]2CN(CC#N)CCCO2)nc1 1073690550 YYIJQJYDRPVEKA-GFCCVEGCSA-N 305.338 -0.171 30 20 DBED C=CCOCC(=O)N1CC[C@H](NC(=O)C2(C(N)=O)CC2)[C@H](C)C1 1074180145 YJRCVSOEFIDROH-NEPJUHHUSA-N 323.393 -0.192 30 20 DBED CC(=O)N[C@@H](C)C(=O)NCC1(O)CCN(C(=O)[C@H](C)C#N)CC1 1074703379 CVWSXUIYEMXZID-MNOVXSKESA-N 324.381 -0.860 30 20 DBED C=CCN[C@H]1CCN(C(=O)C2CC3(C2)NC(=O)NC3=O)[C@H]1C 1074962175 GXUJCPWLVQYMGA-PAPNWUEJSA-N 306.366 -0.260 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC[C@H](C)NC(=O)Cn1cnnn1 1076300745 SNURYIVFDLISCD-GXFFZTMASA-N 310.358 -0.989 30 20 DBED C#CCOCCC(=O)N[C@@H](C)CCNC(=O)[C@H]1CCN(C)C1=O 1077912746 ZQGIXQJSMADREX-QWHCGFSZSA-N 323.393 -0.484 30 20 DBED C#Cc1ccc(C(=O)N2CC(N(CC)C(=O)CC(N)=O)C2)nc1 1079529695 KCBMYEFRCACDNJ-UHFFFAOYSA-N 314.345 -0.389 30 20 DBED C#Cc1ccc(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)COC)C2)cc1 1081165814 DKFJZCBGEIVTRN-LSDHHAIUSA-N 316.357 -0.137 30 20 DBED CSCC(=O)NC[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1O 1081236276 AAFWWZZFQRIWHD-ZYHUDNBSSA-N 322.390 -0.202 30 20 DBED O=C(Cc1cc[nH]n1)NC[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1081368744 RRQZOECCMMPSQT-GXTWGEPZSA-N 316.361 -0.699 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(C(=O)c2cn[nH]c2)C[C@@H]1O 1081468618 MDAQFHSNIZIHMX-OLZOCXBDSA-N 302.334 -0.628 30 20 DBED C=CCCOCC(=O)NC[C@H]1CN(C(=O)c2ccon2)C[C@@H]1O 1081569353 NHVODVXQWJKCJL-AAEUAGOBSA-N 323.349 -0.184 30 20 DBED C=CCCCC(=O)N1C[C@H](O)[C@H](CNC(=O)Cc2nc[nH]n2)C1 1081790134 AGSYDHCTACSQTE-NEPJUHHUSA-N 321.381 -0.361 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)c2cc(O)nc(C3CC3)n2)C1 1083551135 UXOFBBFXSLQRRT-OLZOCXBDSA-N 316.361 -0.142 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCc3cncn3C2)C1 1083583642 MLFJPEPUAKJJQB-YUELXQCFSA-N 302.378 -0.370 30 20 DBED CC(=O)N1CCOC[C@@H]1C(=O)N1C[C@H]2CCN(CC#N)C[C@H]21 1084842212 GQIUWUVGDQBKDW-MGPQQGTHSA-N 306.366 -0.710 30 20 DBED C[C@H](C[C@@H](C)Nc1cnc(C#N)cn1)NC(=O)Cn1ncnn1 1089399752 HIBRDLSNOOOTAC-NXEZZACHSA-N 315.341 -0.270 30 20 DBED COC(=O)c1cnc(N2C[C@@H](O)[C@H](NC(=O)[C@@H](C)C#N)C2)nc1 1090403988 FVDOEPYQTCVDCX-JMJZKYOTSA-N 319.321 -0.911 30 20 DBED C#CCCN1CC[C@H](NC(=O)Cc2ccc(O)nc2)[C@@H](O)C1 1090442268 RNNSWPOMRCZNEC-KBPBESRZSA-N 303.362 -0.096 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2c(OC)ccnc2O)[C@H](O)C1 1090731878 XLZIZRRAKHUOCS-VXGBXAGGSA-N 319.361 -0.016 30 20 DBED CN(C)c1ncccc1C(=O)N[C@H]1CCN(CC#N)C[C@@H]1O 1090804163 GDARFJHOJHNQOG-STQMWFEESA-N 303.366 -0.164 30 20 DBED Cc1cc(C#N)nc(N2C[C@H](O)[C@H](NC(=O)[C@H](O)C(C)C)C2)n1 1091091984 SLAAXBVOQSRFPY-FRRDWIJNSA-N 319.365 -0.661 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCN(c2nccc(C)n2)C[C@@H]1O 1092165388 XPVOEWGIDLSQCG-KGLIPLIRSA-N 318.377 -0.119 30 20 DBED Cn1cnc(C(=O)N[C@@H]2CC3(CN(CC#N)C3)n3ccnc32)n1 1092369116 VTLQMXNRUWQNOE-SNVBAGLBSA-N 312.337 -0.579 30 20 DBED N#CCSCC(=O)N1CCN(c2nccn3nnnc23)CC1 1093145111 XMHQPOQQMLHDSW-UHFFFAOYSA-N 318.366 -0.575 30 20 DBED N#Cc1ccc(NCCNC(=O)c2ccc(C(N)=O)cn2)nn1 1093704774 IKGSUDCDUNQGRB-UHFFFAOYSA-N 311.305 -0.316 30 20 DBED CN(C)C(=O)CC(=O)N1CC[C@@H](Nc2cncc(C#N)n2)C1 1095084456 VFZLLKDPVNOXCR-SNVBAGLBSA-N 302.338 -0.161 30 20 DBED CCN(CCCNC(=O)[C@@H]1CNC(=O)N1)c1cncc(C#N)n1 1095960225 XVVXPRVLUSSANZ-NSHDSACASA-N 317.353 -0.638 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CCCN(c2nc(C)cc(C#N)n2)C1 1096161898 VVZXKYMSQYMWLE-LLVKDONJSA-N 316.365 -0.122 30 20 DBED N#Cc1ccc(N2CC[C@H](NC(=O)CCNC(N)=O)C2)nn1 1096378684 VPWMKSBAYSQFFT-JTQLQIEISA-N 303.326 -0.898 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1C[C@H](Nc2cc(F)ncn2)C1 1097014859 FMPSRRGIMSNKCZ-MGCOHNPYSA-N 305.313 -0.186 30 20 DBED CCc1nc(C#N)cc(N[C@H](C)CNC(=O)Cn2cnnn2)n1 1097695274 BWENRXRCXNKDQC-SECBINFHSA-N 315.341 -0.486 30 20 DBED C[C@H](CNC(=O)[C@@H]1CCC(=O)NC1)Nc1cnc(C#N)cn1 1098396918 CZRFVBHVCSDEEL-NXEZZACHSA-N 302.338 -0.209 30 20 DBED C[C@@H](CNC(=O)c1nnc(O)nc1O)Nc1ncccc1C#N 1098435040 FLDMNEXWZYMOCA-ZETCQYMHSA-N 315.293 -0.220 30 20 DBED C=CCC[C@H](C)NCc1cn([C@H]2CCN(C(=O)C(N)=O)C2)nn1 1098710613 HSKVRPAHJZXVIJ-AAEUAGOBSA-N 320.397 -0.019 30 20 DBED C#CCNCc1cn([C@@H]2CCN(C(=O)c3cnn(C)n3)C2)nn1 1098745708 KZEIYRTXHRUSEZ-GFCCVEGCSA-N 314.353 -0.783 30 20 DBED C[C@@H](CCNC(=O)Cn1ncnn1)Nc1ncccc1C#N 1099553760 RAOUITBBWHZHQT-JTQLQIEISA-N 300.326 -0.053 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)c2cc[nH]c2)[C@@H](O)C1 1099842793 WXSGMRDFBCHWAF-STQMWFEESA-N 306.366 -0.518 30 20 DBED N#CCNC(=O)CN1CC[C@H](NC(=O)C2(C3CC3)CC2)[C@@H](O)C1 1099885665 QHVQTADQVLMJNW-STQMWFEESA-N 320.393 -0.632 30 20 DBED Cc1cc(C)n(CCC(=O)N[C@H]2CCN(CC#N)C[C@@H]2O)n1 1099939833 MSMYUZOISNBACA-KBPBESRZSA-N 305.382 -0.035 30 20 DBED CN(CCNC(=O)[C@H]1CCCS1(=O)=O)c1cncc(C#N)n1 1100135254 LZVIMKFAZDUNSU-LLVKDONJSA-N 323.378 -0.522 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@]2(C)C1 1101173075 IVGOCUHDCWKKEZ-ZENOOKHLSA-N 302.378 -0.324 30 20 DBED N#Cc1cnc(N(CCNC(=O)[C@H]2CNC(=O)N2)C2CC2)cn1 1101432929 RIQMUCGIWCGADI-LLVKDONJSA-N 315.337 -0.885 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)c1ccc(=O)n(C)n1 1101613126 GLANXAQMOQVMOI-UHFFFAOYSA-N 313.321 -0.952 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)CNC(=O)C(C)(C)C 1101619986 XWQBECIXUYOPDT-UHFFFAOYSA-N 318.381 -0.197 30 20 DBED C[C@H](CC(N)=O)C(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(C#N)n1 1102570054 NBURYEZWOJKURN-VWYCJHECSA-N 314.349 -0.351 30 20 DBED CCN(C(=O)CC(N)=O)[C@@H]1CCN(c2cncc(C#N)n2)C1 1102785075 SYCYOYZQKOTJJZ-LLVKDONJSA-N 302.338 -0.349 30 20 DBED CC[C@H](CNC(=O)[C@@H]1COCCN1C)Nc1cnc(C#N)cn1 1103036502 MWDOLPNEDLISIF-YPMHNXCESA-N 318.381 -0.014 30 20 DBED N#Cc1ccc(NC[C@H]2CCCN2C(=O)CNC(N)=O)nn1 1103789158 LCSMNURSHSNGGA-SNVBAGLBSA-N 303.326 -0.581 30 20 DBED C[C@H](CNC(=O)c1cnnn1C)CNc1ccc(C#N)nn1 1103962491 YRYKKVRUGQHXGK-VIFPVBQESA-N 300.326 -0.045 30 20 DBED Cc1ccc(C#N)c(N2CCO[C@H](CNC(=O)CC(N)=O)C2)n1 1104305877 YXUSQYIDYXYAPM-GFCCVEGCSA-N 317.349 -0.542 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)[C@@H]1COC(=O)N1 1104546191 ZGOVEJLXLZGSDL-BDAKNGLRSA-N 304.310 -0.863 30 20 DBED CNC(=O)NCC(=O)NC[C@@H](N=c1cc[nH]c(C#N)n1)C(C)C 1105298754 QPGIBHIHLHUGTQ-SNVBAGLBSA-N 319.369 -0.748 30 20 DBED N#Cc1c(F)cccc1NC[C@@H](O)CNC(=O)CNC(N)=O 1105711167 WRFYBYPZVCCCOG-MRVPVSSYSA-N 309.301 -0.745 30 20 DBED Cc1nn(C)cc1C(=O)NC[C@@H](O)CNc1cncc(C#N)n1 1105763447 IGOIBBQAPJLCTM-NSHDSACASA-N 315.337 -0.407 30 20 DBED CCn1ccnc1C(=O)NC[C@@H](O)CNc1ccc(C#N)nn1 1105802161 HIPWFDGDEFWHGM-NSHDSACASA-N 315.337 -0.233 30 20 DBED Cn1nccc1CC(=O)NC[C@H](O)CNc1ncccc1C#N 1105806013 OKYWJQOUFXGPEQ-ZDUSSCGKSA-N 314.349 -0.182 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@@H]1CN(C(=O)c2cc[nH]n2)C[C@H]1C 1105846328 RNJBWPQIEUZWDA-JHJVBQTASA-N 317.393 -0.155 30 20 DBED N#Cc1cncc(NC[C@H](O)CNC(=O)CN2CCCC2)n1 1105856150 OOOTVZKYBNHYCP-LBPRGKRZSA-N 304.354 -0.667 30 20 DBED CC(C)[C@@H](C(=O)NC[C@@H](O)CNc1cncc(C#N)n1)N(C)C 1105917675 MVYGXIJRNBGHEI-JSGCOSHPSA-N 320.397 -0.177 30 20 DBED Cc1nonc1CC(=O)NC[C@@H](O)CN=c1cc[nH]cc1C#N 1105947549 HFEXSDMZSJSQGO-NSHDSACASA-N 316.321 -0.802 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H](O)CN=c1cc[nH]cc1C#N 1105970864 OANFOBGGWZVIMI-WCQYABFASA-N 302.334 -0.698 30 20 DBED CN1C(=O)CC[C@H]1C(=O)NC[C@H](O)CNc1ccc(C#N)nc1 1106056082 ZRXKZAQESOLMMW-OLZOCXBDSA-N 317.349 -0.537 30 20 DBED Cc1ccoc1CC(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1 1106096248 DQZDMQCNIOWGMN-NSHDSACASA-N 315.333 -0.197 30 20 DBED N#Cc1c[nH]ccc1=NC/C=C/CNC(=O)[C@@H]1COC(=O)N1 1107174796 AYXRKQLKQMLEGO-ISUDXETCSA-N 301.306 -0.432 30 20 DBED CN1C[C@@H](C(=O)NC/C=C/CNc2cnc(C#N)cn2)CC1=O 1107569034 VDNRUIFZTKKXCF-VUDBWIFFSA-N 314.349 -0.089 30 20 DBED CCCC(=O)NCC(=O)N[C@H](C)CN=c1cc[nH]c(C#N)n1 1107638388 YWONPAQESTUTPA-SNVBAGLBSA-N 304.354 -0.397 30 20 DBED CC1(C)C[C@H]1C(=O)NC[C@@]1(C)CN(CC(=O)NCC#N)CCO1 1107874149 KVNYGFKJAUHECC-LRDDRELGSA-N 322.409 -0.121 30 20 DBED C[C@H](CNc1ncc(C#N)cc1F)NC(=O)c1nnn(C)n1 1108049540 SOYFMGGLBHLSAQ-SSDOTTSWSA-N 304.289 -0.154 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H](C)CN=c1cc[nH]c(C(=O)OC)n1 1108337718 KVXVLSCCVBIUBH-ZUZCIYMTSA-N 322.365 -0.071 30 20 DBED C[C@@H](CNc1cncc(C#N)n1)NC(=O)[C@H]1C[C@H]1C(=O)N(C)C 1108701137 NSTMOPREBKAJMJ-ZMLRMANQSA-N 316.365 -0.011 30 20 DBED C[C@H](CN(C)c1cncc(C#N)n1)NC(=O)[C@H]1CCC(=O)N1C 1109187905 VHAFWXXAJDWBLK-ZYHUDNBSSA-N 316.365 -0.090 30 20 DBED CN(CCCNc1cnc(C#N)cn1)C(=O)[C@H]1CNC(=O)N1 1109598926 RAUKVXGSEYUKIQ-SNVBAGLBSA-N 303.326 -0.710 30 20 DBED N#Cc1ccc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)CCc2nc[nH]n2)nn1 1109693350 SGBMTAOGTNIOPE-VPJDZLOFSA-N 324.348 -0.208 30 20 DBED CCC(=O)NCC(=O)N[C@H](CN=c1cc[nH]c(C#N)n1)C1CC1 1109794062 QDMPCEAJNDBXOL-LLVKDONJSA-N 316.365 -0.397 30 20 DBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H]1CCC(=O)N1 1110004514 ONIJPFNIDYIMQF-VOAKCMCISA-N 320.393 -0.711 30 20 DBED CC(=O)N[C@@H](C)C(=O)NCC1(Nc2ccc(C#N)nn2)CC1 1110056448 VZJRYAVXLLVWNW-VIFPVBQESA-N 302.338 -0.066 30 20 DBED COCC(=O)N(C)[C@H]1CN(c2ccc(C#N)c(C)n2)C[C@@H]1O 1111168775 MHIJYEMSCAFHPS-STQMWFEESA-N 304.350 -0.084 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(CCO)CCNc1ncccn1 1111582840 RAGNAILKEHTBHW-AWEZNQCLSA-N 317.393 -0.193 30 20 DBED CNC(=O)CC(=O)N1CCO[C@@H](CNc2nccnc2C#N)C1 1111939924 ADESOTNXSKYYKA-JTQLQIEISA-N 318.337 -0.876 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(c2nccc(C)n2)C[C@@H]1O 1112702470 RRDDGLXZKAWTFN-STQMWFEESA-N 306.366 -0.099 30 20 DBED C#CCCCC(=O)N1CCN(CC(=O)NC(=O)NC2CC2)CC1 1112803177 VMUHHLSWAGHXGH-UHFFFAOYSA-N 320.393 -0.078 30 20 DBED N#Cc1ccc(NCC2CC(NC(=O)CNC(N)=O)C2)cn1 1112816089 XIHBKEMSJCHQJB-UHFFFAOYSA-N 302.338 -0.072 30 20 DBED C#CCO[C@H](C)C(=O)N1CCN([C@@H](C)c2nnnn2C)CC1 1112846522 QXMNJRLCQYSTGF-NWDGAFQWSA-N 306.370 -0.546 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)Cc3ccon3)[C@H]2C1 1114094090 YJTPIOHHOGCIPE-PBOSXPJTSA-N 316.361 -0.599 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)COC(C)(C)C)[C@H]2C1 1114163063 AASMIZWENYCBDF-AVGNSLFASA-N 321.421 -0.014 30 20 DBED O=C(C#CC1CC1)NC1[C@@H]2CN([C@H]3CCC(=O)NC3=O)C[C@@H]12 1114252774 CBDFEHQUIKVUFL-UTUOFQBUSA-N 301.346 -0.749 30 20 DBED Cn1nnc(CN2C[C@@H]3C(NC(=O)C#CC(C)(C)C)[C@H]3C2)n1 1114260935 VUQKMBPBYFWYKB-QWRGUYRKSA-N 302.382 -0.194 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)C3(F)CCOCC3)[C@H]2C1 1114381318 SQKWVHLEQCPZIB-RYUDHWBXSA-N 323.368 -0.699 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)Cc3ncc[nH]3)[C@H]2C1 1115016353 UVHFVGWLVUCYCY-FJJYHAOUSA-N 315.377 -0.864 30 20 DBED CNC(=O)NCC(=O)N[C@@H](C)CCCN=c1cc[nH]c(C#N)n1 1115108721 QGZYMDMCBIHTPH-JTQLQIEISA-N 319.369 -0.604 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)N2CCC[C@H](N3CCCC3)C2)CCO1 1117844804 RAWPNXRUPQZVBQ-KBPBESRZSA-N 320.393 -0.176 30 20 DBED C=CCNC(=O)Cn1nnnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1120157288 ZWZWRIUIHOGXSK-BXUZGUMPSA-N 322.369 -0.641 30 20 DBED C[C@@H](C(=O)NC[C@H](CO)Nc1ccc(C#N)cn1)n1cncn1 1121345655 BYXJJVWBGZCHQZ-CMPLNLGQSA-N 315.337 -0.305 30 20 DBED N#Cc1cnc(N[C@H](CO)CNC(=O)c2c[nH]c(C#N)c2)cn1 1121353488 RLQMGPNYZJKYDN-LBPRGKRZSA-N 311.305 -0.249 30 20 DBED Cc1ccc(C#N)c(N[C@@H](CO)CNC(=O)[C@H]2COC(=O)N2)n1 1121387970 YPHDVGVHDFBMBF-GHMZBOCLSA-N 319.321 -0.741 30 20 DBED CNC(=O)NCC(=O)N1CC[C@@H](N=c2cc[nH]c(C#N)n2)[C@@H]1C 1123110067 NAQPXOPYAJCJSL-VHSXEESVSA-N 317.353 -0.900 30 20 DBED CN(C[C@@H](O)CNc1ccc(C#N)nc1)C(=O)c1ncn(C)n1 1124295466 CKUXZDDVSJIXRR-LBPRGKRZSA-N 315.337 -0.373 30 20 DBED C=CCOCC(=O)NCCN[C@@H](C)C(=O)NC(=O)NCC 1124787559 DOUNJIJLXNVPAH-JTQLQIEISA-N 300.359 -0.871 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)c2csc(O)n2)C1=O 1132647766 VZRXCJAXCSNBSY-VIFPVBQESA-N 310.379 -0.045 30 20 DBED CNC(=O)NCC(=O)N1CC[C@H](C)[C@H](CNCC#CCOC)C1 1132859563 FMGNTEUIQLJLBB-UONOGXRCSA-N 324.425 -0.361 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)c2nnc(O)nc2O)CC[C@H]1C 1132953685 GWYWWVRLKUNFIL-GHMZBOCLSA-N 319.365 -0.006 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)c2nnn(C)n2)CC[C@@H]1C 1133034492 DMSGKMHTHXMFIO-QWHCGFSZSA-N 320.397 -0.452 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)C[C@H](C)NCC(=O)N1CCC1 1134130260 FJFVKEVXALGWLS-QWHCGFSZSA-N 322.409 -0.769 30 20 DBED C#CCOCCC(=O)N[C@@H](C)C[C@H](C)NCCS(C)(=O)=O 1134350986 AGJNGWVEEFOPKZ-STQMWFEESA-N 318.439 -0.056 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)Cc1cnc[nH]1 1135552623 IOWZIFPLWMZTSE-NEPJUHHUSA-N 305.382 -0.426 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@H](C)N1CCCCC1=O 1152162419 WCUPBLMTAUEXKT-LBPRGKRZSA-N 310.398 -0.605 30 20 DBED C=CCNC(=O)CN(CC)[C@H](C)CNC(=O)Cn1nccn1 1153605258 USEREFJHCJQRQY-GFCCVEGCSA-N 308.386 -0.593 30 20 DBED C[C@@H](NCCCNC(=O)c1ccc(C#N)[nH]1)c1nnnn1C 1156690782 GTLYYFWJSPRLIW-SECBINFHSA-N 302.342 -0.119 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1cn(C)nc1C1CC1 1158975891 KJUBCIOKGVYQGA-UHFFFAOYSA-N 317.393 -0.244 30 20 DBED N#CCNC(=O)CNCCCNC(=O)C[C@@H]1C[C@H]2CC[C@H]1O2 1159770181 QMFGOEKMBRCVIE-YNEHKIRRSA-N 308.382 -0.320 30 20 DBED N#CCNC(=O)CNCCCNC(=O)c1cnc(C2CC2)o1 1160167065 QNLPFHPEZAKPFP-UHFFFAOYSA-N 305.338 -0.099 30 20 DBED C=CCNC(=O)CNCCCNC(=O)c1cnn2c1OCCC2 1161831689 LPKJBHOAISNNTQ-UHFFFAOYSA-N 321.381 -0.323 30 20 DBED COCC#CCNCCCNC(=O)CN1C(=O)NC(=O)C1(C)C 1170172528 WMVRIRDJPWHKJM-UHFFFAOYSA-N 324.381 -0.938 30 20 DBED N#CCN1CCO[C@H]2CCN(C(=O)CC(=O)NCC3CC3)C[C@@H]21 1177130407 ANFBEMSXIZXPIP-KBPBESRZSA-N 320.393 -0.272 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)[C@H]2CCCN2C)[C@H]1C 1179303556 HNULUBKAYCGQEM-ZQDZILKHSA-N 320.437 -0.203 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)Cc2cc[nH]n2)C1 1181801538 HTTXDUAEZSCLOH-DGCLKSJQSA-N 305.382 -0.167 30 20 DBED C=C(C)CN[C@@H]1CCN(C(=O)[C@H](CCC(N)=O)NC(C)=O)C1 1186376659 FJTRKJVJLGDZBR-OLZOCXBDSA-N 310.398 -0.477 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(Cc2nnnn2CCC)C[C@H]1O 1192510514 NCONCKALTOFJLI-CHWSQXEVSA-N 320.397 -0.452 30 20 DBED CC#CCN(C)[C@H]1CCN(C(=O)CN2C(=O)NC(C)(C)C2=O)C1 1193824764 JOFRLZMTDUSAEY-LBPRGKRZSA-N 320.393 -0.127 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)CCc2ccc(C(N)=O)cc2)C1 1194673724 UXTVIMQLHDCSFE-ZIAGYGMSSA-N 316.361 -0.597 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)Cn2cccn2)CC1 1194830074 GNDVUARSYQUXQQ-UHFFFAOYSA-N 305.382 -0.280 30 20 DBED C=C(C)C[C@H](C)C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1O 1195526708 XZFZJBVYAZANMZ-YNEHKIRRSA-N 308.382 -0.610 30 20 DBED C#CCO[C@H](C)C(=O)N1CCCN(Cc2nnnn2C)CC1 1195791560 FDJSICCHMATGIG-GFCCVEGCSA-N 306.370 -0.717 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)c2ccn(C(C)C)n2)C1 1196511501 ZSRCTIYBPUGTJU-HUUCEWRRSA-N 320.393 -0.111 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)CCc2nc(C3CC3)no2)C1 1196748622 BLIUGQNAURPDFI-VXGBXAGGSA-N 304.350 -0.326 30 20 DBED CC#CCNC[C@H]1CN(C(=O)[C@@H]2CCCNC2=O)CCCO1 1200738604 XSBBCESDZVHFOR-UONOGXRCSA-N 307.394 -0.257 30 20 DBED C#CCNC[C@@H]1CN(C(=O)[C@@H]2CCN(C)C(=O)C2)CCCO1 1200824299 LGJKKPROSKDBGQ-ZIAGYGMSSA-N 307.394 -0.305 30 20 DBED C#CCNC[C@H]1CN(C(=O)CN2CCCNC2=O)CCCO1 1200882094 ZWNKHFQHRNUCOH-ZDUSSCGKSA-N 308.382 -0.758 30 20 DBED CN(C)C(=O)CCCC(=O)N1CCCO[C@H](CNCC#N)C1 1201879762 IFDNPTCPRCSTHV-CYBMUJFWSA-N 310.398 -0.024 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(CC(=O)N2CCC2)C[C@H]1C 1206958970 OIRHZHFSFNBGFT-ZIAGYGMSSA-N 307.394 -0.305 30 20 DBED CCN1CCOC[C@H]1C(=O)N1CCC[C@H](NCC#CCOC)C1 1208459660 GJUZJSHIOZUAOG-HOTGVXAUSA-N 323.437 -0.063 30 20 DBED CO[C@@H]1CN(CCOCCO)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 1212139316 VYIPANBHSQHCDW-ZIAGYGMSSA-N 322.365 -0.676 30 20 DBED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)[C@@H](C)C1CCC1 1212448332 IXYUFGPORAKQAS-IACUBPJLSA-N 322.409 -0.122 30 20 DBED COCC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)Cn1ccnc1 1219069034 VFUDFKYVKFJDPF-LSDHHAIUSA-N 318.377 -0.556 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(Cc2ccnc(OC)n2)C[C@@H]1O 1219361888 KHMLSMLKIPXMOO-OLZOCXBDSA-N 322.365 -0.651 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(CCn2cccn2)C[C@@H]1O 1219599625 SEURSNOGKADVNF-KGLIPLIRSA-N 306.366 -0.916 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)Cc2cnc(C)o2)CC1 1227784013 MNSBJAOFSDRNMT-UHFFFAOYSA-N 318.377 -0.144 30 20 DBED C=C[C@](C)(O)CC(=O)N(C)C[C@H]1CCN1CCN1CCNC1=O 1233976264 DGAZFIMYQLMZKE-CJNGLKHVSA-N 324.425 -0.129 30 20 DBED CCNC(=O)NC(=O)CN1CC[C@H]1CN(C)C(=O)C#CC1CC1 1234178830 OXELDKWCDXGEAO-ZDUSSCGKSA-N 320.393 -0.222 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C[C@@H]1CCN1CC(=O)NC1CC1 1234225591 OFQWKMVVRFISDZ-JSGCOSHPSA-N 307.394 -0.164 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)Nc1ccn(CCN(C)C)n1 1255019439 QPRIOJCLJJSGNW-NSHDSACASA-N 309.370 -0.300 30 20 DBED C#C[C@H](NC(=O)C(=O)NCCCc1nc(C)no1)[C@H]1CCCO1 1261150393 YLCVARLHNLHSOW-NWDGAFQWSA-N 320.349 -0.276 30 20 DBED CNC(=O)CCCNC(=O)C(=O)NCCc1ccc(C#N)cc1 1261687145 GIHITOYHXFQSLE-UHFFFAOYSA-N 316.361 -0.141 30 20 DBED N#CCNC(=O)CN1CC[C@@H](NC(=O)[C@H]2C[C@@H]2C(F)F)C1 1269122491 YIPSYMOYDPOQEQ-UTLUCORTSA-N 300.309 -0.282 30 20 DBED CN1CCC[C@@H]1C(=O)N[C@@H]1CCCN(CC(=O)NCC#N)CC1 1280706474 CYFNBTFTTJPLAO-ZIAGYGMSSA-N 321.425 -0.309 30 20 DBED CC(=O)NC[C@H]1CN(S(=O)(=O)CCCCC#N)CCO1 1318668888 UUNRJQHNMYBQSL-LBPRGKRZSA-N 303.384 -0.153 30 20 DBED CC(C)(C=NNc1ccc(S(N)(=O)=O)cn1)S(C)(=O)=O 1319588039 KBSLZZKPBOEPJE-UHFFFAOYSA-N 320.396 -0.050 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cc(C)on1 1320138385 ZTPCXQFBCKNTDB-UHFFFAOYSA-N 301.324 -0.361 30 20 DBED C=CCNC(=O)CNC(=O)NCCCCCS(C)(=O)=O 1320381829 UQUJFOFZMGVGAZ-UHFFFAOYSA-N 305.400 -0.197 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)Nc1c(C(=O)OCC)cnn1C 1321714201 VSDIIPBJIOFSIH-SECBINFHSA-N 324.337 -0.148 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)NCC(C)(C)N1CCOCC1 1321892916 PMKPXKCCLYHVCA-UHFFFAOYSA-N 319.405 -0.302 30 20 DBED C#CCCCCNC(=O)C(=O)N[C@@H](CC)C(=O)N1CCOCC1 1323197636 QXXSPKZKNCSAJB-ZDUSSCGKSA-N 323.393 -0.340 30 20 DBED N#CC1CCN(C(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CC1 1328028880 LAPAMEZQYXGQFH-KGLIPLIRSA-N 320.393 -0.272 30 20 DBED CCS(=O)(=O)N1CCC(CNC(=O)C#CCOC)CC1 1329261011 PTIGAWMRKDDICO-UHFFFAOYSA-N 302.396 -0.186 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCCC[C@H]1CNC(C)=O 1331265115 MZLXFUGOAZESGD-ZDUSSCGKSA-N 309.366 -0.730 30 20 DBED CC#CC[C@H](CO)NC(=O)C(=O)Nc1c(C)ccn(C)c1=O 1332179637 PQYYNQLOAAUZKE-LLVKDONJSA-N 305.334 -0.477 30 20 DBED CCN1C[C@H](CNC(=O)C(=O)N2CCC[C@@H](C#N)C2)CC1=O 1333114916 QJNXYSZEUFHURE-RYUDHWBXSA-N 306.366 -0.267 30 20 DBED C=CCn1c([C@@H]2CNC(=O)C2)nnc1N1CCNC(=O)[C@@H]1CC 1339609653 ONPIZPDZBGKDCJ-QWRGUYRKSA-N 318.381 -0.218 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N1CCO[C@@H](CC(=O)OC)C1 1343078553 BRASPTBKVWEZEG-QWRGUYRKSA-N 314.338 -0.906 30 20 DBED C=CCOC[C@H](NC(=O)c1nccnc1C(N)=O)C(=O)OC 1344476248 KSSSVPPBJSTRHY-QMMMGPOBSA-N 308.294 -0.951 30 20 DBED C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)OCC(=O)NC1(C#N)CCC1 1346189530 IJEPYDGCBXQPJH-SKDRFNHKSA-N 323.349 -0.632 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2C[C@H](C)[C@@](C)(CO)C2)nn1 1347645053 SFEHBLVFGKORIW-XHDPSFHLSA-N 321.381 -0.443 30 20 DBED C#CC[C@H]1NC(=O)N([C@H]2CCN(C3CCOCC3)C2=O)C1=O 1351772401 URMCWUQMHDFJSF-NEPJUHHUSA-N 305.334 -0.290 30 20 DBED COC[C@@H]1CCCN(C(=O)Cn2cc(C#N)c(O)nc2=O)C1 1362096825 NFJHLYMUUILNKL-SNVBAGLBSA-N 306.322 -0.294 30 20 DBED N#Cc1ccc(NCC(=O)N[C@@H]2CCc3nnnn3CC2)nc1 1363448177 HUPAIPIARUUXLB-LLVKDONJSA-N 312.337 -0.127 30 20 DBED C[C@@H](NC(=O)Cn1cc(C#N)c(O)nc1=O)c1cnccn1 1363467715 DRXPFFZKZZXYDX-MRVPVSSYSA-N 300.278 -0.512 30 20 DBED C=C(Cl)CN1CC[C@](O)(CNC(=O)CNC(=O)CC)C1 1368248959 SMTLQUFUGJMNMW-ZDUSSCGKSA-N 303.790 -0.182 30 20 DBED CCN(CCC#N)C(=O)CN[C@H]1CN(C(=O)COC)C[C@H]1C 1368733295 RLTNVMVADDVXPT-OLZOCXBDSA-N 310.398 -0.169 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@](C)(NC(=O)CNC(=O)C2CC2)C1 1379629488 OYMTVNLRMQBFQT-MEBBXXQBSA-N 306.366 -0.221 30 20 DBED CNC(=O)NCCC(=O)N1CCC(NC(=O)[C@H](C)C#N)CC1 1385358875 UWVNOODMPCTNRJ-SNVBAGLBSA-N 309.370 -0.428 30 20 DBED CO[C@@H](C)CC(=O)N1CCN(CCNC(=O)[C@H](C)C#N)CC1 1385571417 MLWLFTCUZQHQDQ-OLZOCXBDSA-N 310.398 -0.169 30 20 DBED COC(=O)[C@H]1C[C@H]1C(=O)N(C)CCNC(=O)c1cc(C#N)c[nH]1 1397890290 HWPSMIYNVJGMRT-MNOVXSKESA-N 318.333 -0.116 30 20 DBED CCS(=O)(=O)CC(=O)N1CC(CNC(=O)[C@@H](C)C#N)C1 1409175682 HEDRTVVEQZMCSI-VIFPVBQESA-N 301.368 -0.845 30 20 DBED C[C@H](C#N)C(=O)N1CCC(C)(CNC(=O)[C@H]2COC(=O)N2)CC1 1417397155 KJAQPZKRVSBMQS-GHMZBOCLSA-N 322.365 -0.001 30 20 DBED C[C@@H](CNCC(=O)NC(=O)NC1CC1)CNC(=O)[C@@H](C)C#N 1419461585 YOGMZCGTSVBLFJ-UWVGGRQHSA-N 309.370 -0.524 30 20 DBED N#Cc1cccc(CNC[C@H](O)CNC(=O)[C@@H]2COC(=O)N2)c1 1420111837 NCWGPXJJCIXOOS-STQMWFEESA-N 318.333 -0.767 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN([C@@H](C)C(=O)NC(C)(C)C)C1 1421419338 QUSSMLHTNPJUJA-QWRGUYRKSA-N 310.398 -0.388 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(CC(=O)N2CCCCCC2)C1 1423827007 HAZQXXNZMCKUDO-ZDUSSCGKSA-N 322.409 -0.288 30 20 DBED CC(=O)N(C)CC(=O)N[C@H](C)CN(C)C(=O)c1cc(C#N)c[nH]1 1427518678 MASXRWMCOSOQSM-SNVBAGLBSA-N 319.365 -0.059 30 20 DBED CCC(=O)NCC(=O)N(C)CCN(C)C(=O)c1ccc(C#N)[nH]1 1431349522 MNJULRDSEMYDBO-UHFFFAOYSA-N 319.365 -0.057 30 20 DBED Cc1nc(CC(=O)N[C@H](C)CNC(=O)c2c[nH]c(C#N)c2)n[nH]1 1431636955 LKPLMFQPFQVTDH-MRVPVSSYSA-N 315.337 -0.210 30 20 DBED C[C@H](C#N)C(=O)NC1CN(C(=O)C(C)(C)S(C)(=O)=O)C1 1432345537 ZTFQDHAZZOITHY-MRVPVSSYSA-N 301.368 -0.704 30 20 DBED CCN(CCNC(=O)c1nc2ncccn2n1)C(=O)[C@@H](C)C#N 1449489764 RDXNAWWXGXLXDQ-JTQLQIEISA-N 315.337 -0.138 30 20 DBED CC(=O)NCC(=O)N1CC([C@H](C)NC(=O)c2cc(C#N)c[nH]2)C1 1450315458 BGBNDCXLSDJNAB-VIFPVBQESA-N 317.349 -0.401 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]1CNC(=O)CCCn1cncn1 1458816900 SHMCXRCMRKPMHE-NWDGAFQWSA-N 304.354 -0.065 30 20 DBED C[C@H](C#N)C(=O)NC1CN(CCc2nnn(C(C)(C)C)n2)C1 1481550540 PJJQLKIGCSAUEK-SNVBAGLBSA-N 305.386 -0.069 30 20 DBED COc1c(C(=O)NC[C@@H](O)CNC(=O)[C@@H](C)C#N)c(C)nn1C 1501605532 NPKIRPBZNDNVRQ-WPRPVWTQSA-N 323.353 -0.896 30 20 DBED C=CCNC(=O)[C@H](C)NC[C@@H](C)N(C)C(=O)CNC(=O)O 1573369046 WBPJMBAIUSDXDC-ZJUUUORDSA-N 300.359 -0.619 30 20 DBED CC(C)[C@H](C(=O)O)C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1573489587 KYKOVWATHOTODK-KWBADKCTSA-N 314.363 -0.260 30 20 DBED N#Cc1c[nH]c(=O)n(Cc2cccc(-c3nn[nH]n3)c2F)c1=O 1581861839 ARAUCGCREVPBFJ-UHFFFAOYSA-N 313.252 -0.224 30 20 DBED C#CCN(C)C[C@H](O)CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 1588349174 GIMXQSRHVOQIBM-NSHDSACASA-N 317.353 -0.807 30 20 DBED C=C(C)CONC(=O)CCn1cc(-c2nn[nH]n2)c(O)nc1=O 1588428963 KFDFZCGURSKVBM-UHFFFAOYSA-N 321.297 -0.857 30 20 DBED C=C[C@H](CO)NC(=O)C(=O)Nc1cccc(C(=O)O)c1OC 1588919998 RAWNMXMOKPDXSO-MRVPVSSYSA-N 308.290 -0.005 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H](CCC(=O)O)C2)CCO1 1594606520 YSYNHLBLSVHCJE-RYUDHWBXSA-N 323.349 -0.159 30 20 DBED CN(C(=O)[C@@H]1C[C@H]1C(=O)O)C1CN(C(=O)CSCC#N)C1 1597998212 IXVIYTDSOHGGJB-NXEZZACHSA-N 311.363 -0.367 30 20 DBED N#C[C@H]1CN(S(=O)(=O)NC[C@@H](CC(=O)O)C2CC2)CCO1 1601062840 KIPVWOOENKQORK-MNOVXSKESA-N 317.367 -0.454 30 20 DBED C=CCn1cc(CNC(=O)c2ccc(-c3nn[nH]n3)nc2)nn1 1602882323 ICIWHGZATNDJMV-UHFFFAOYSA-N 311.309 -0.031 30 20 DBED C[C@H](C(=O)N1CCSC[C@H]1C#N)n1cnc(-c2nn[nH]n2)n1 1609068621 KRBHADRXGZVTAR-HTQZYQBOSA-N 319.354 -0.513 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N2CCCN3CCC[C@@H]3C2)CCO1 1647177104 BUHYPPLKAFDITJ-CHWSQXEVSA-N 314.411 -0.374 30 20 DBED CS(=O)(=O)C[C@@H]1CCN(S(=O)(=O)CC2(C#N)CC2)C1 1649815100 JTFQUUMPBSVZMZ-SNVBAGLBSA-N 306.409 -0.014 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)c2cnn3c2CCC3)C1 1714325829 YZSXXFUDBZIUQX-LBPRGKRZSA-N 317.393 -0.064 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@@H](NC(=O)CC2(OC)CCC2)C1 1752723202 IVGNOBHQAYYOPM-BETUJISGSA-N 307.394 -0.068 30 20 DBED CCN(CCC#N)C(=O)CN[C@@H]1CCC[C@H](NC(=O)C(N)=O)C1 1752975243 AJQOSLFEMNOEJD-NEPJUHHUSA-N 323.397 -0.749 30 20 DBED C#CCNC(=O)CNCCN(C)C(=O)c1cc2c([nH]1)CCC2 1753251517 PGMDIPPTYLHGOP-UHFFFAOYSA-N 302.378 -0.086 30 20 DBED C=C(C)[C@@H](CC(=O)NC1CN([C@@H]2CCC(=O)NC2=O)C1)OCC 1753379328 PJDCPEDGWOYXJJ-CHWSQXEVSA-N 323.393 -0.037 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1CN(CCNC(=O)C2CC2)C1 1753401006 PTRMBZIDBIUHQY-INIZCTEOSA-N 309.410 -0.112 30 20 DBED C#CCNC(=O)CN[C@H](CNC(=O)Cn1cc(C)cn1)C(C)C 1753825196 DPKNAOXJZZMIOJ-CQSZACIVSA-N 319.409 -0.329 30 20 DBED C=CCNC(=O)CN1C[C@H]2C[C@H]1[C@H]2NC(=O)c1cn(CC)nn1 1754429379 LTAVAWIAWDTNAI-OSMZGAPFSA-N 318.381 -0.597 30 20 DBED CC#CCN[C@@H]1CCN(C(=O)CCS(=O)(=O)NC)[C@@H](C)C1 1754594799 HAANNPHJKQFRQO-QWHCGFSZSA-N 315.439 -0.082 30 20 DBED C=CCN1CC[C@@H](N2CC[C@@](O)(CNC(=O)C3CC3)C2)C1=O 1754745129 UNVPAAVFKIFZIX-CZUORRHYSA-N 307.394 -0.264 30 20 DBED CC#CCN1CC[C@](O)(CNC(=O)c2cn(C)c(C)cc2=O)C1 1754753079 ACMKKSOZSKIYTB-KRWDZBQOSA-N 317.389 -0.116 30 20 DBED CC[C@@H](C)NC(=O)CN1CC(O)(CNC(=O)C#CC2CC2)C1 1754768062 YZCQJSHTJHODBV-GFCCVEGCSA-N 307.394 -0.523 30 20 DBED CNC(=O)c1ccc(C(=O)N2CCO[C@@H](CNCC#N)C2)cn1 1755015115 YLIPDQFVZDJHII-LBPRGKRZSA-N 317.349 -0.605 30 20 DBED C#CCNC(=O)CN(C)CCCN(C)C(=O)c1cc(OC)no1 1755036255 QYXCFSKQMGBXCR-UHFFFAOYSA-N 322.365 -0.174 30 20 DBED CCN(CCC#N)C(=O)CN[C@H]1CN(C(=O)C(N)=O)CC1(C)C 1755775910 UCXZFPQULSTTKU-NSHDSACASA-N 323.397 -0.940 30 20 DBED C=C(C)CNC[C@H](O)CN(C)C(=O)[C@@H]1CCc2nnnn2CC1 1755788698 YDXMWGRPZPYLHG-OLZOCXBDSA-N 322.413 -0.389 30 20 DBED C=C[C@@H](CC(=O)NC[C@H](CO)NC(=O)C(N)=O)c1ccccc1 1756526577 TZNQDZDEJYJMND-WCQYABFASA-N 319.361 -0.575 30 20 DBED C=CCCCC(=O)NC[C@H](CO)NC(=O)[C@H]1CC(=O)N(C)C1 1756547019 ZUBZFHWTPOWYNZ-NWDGAFQWSA-N 311.382 -0.586 30 20 DBED Cc1cc(C(=O)N(C)C[C@H](O)CNC(=O)C#CC2CC2)ncn1 1756659760 TVNOOSVUWJHZCI-CYBMUJFWSA-N 316.361 -0.252 30 20 DBED Cc1ncc(C(=O)N(C)C[C@@H](O)CNC(=O)C#CC(C)C)n1C 1756676081 GFOATLGMKCGOFJ-ZDUSSCGKSA-N 320.393 -0.063 30 20 DBED C#CCCCCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H](C)NC(C)=O)C1 1756976480 IHYHQZOMQHGSCK-IACUBPJLSA-N 323.393 -0.608 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(C(=O)C2=COCCC2)C[C@H]1O 1757009110 PWFCEPAZDDOGIW-ZIAGYGMSSA-N 324.377 -0.039 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)c2cccc(C)n2)C[C@@H]1O 1757161657 KHYGRRAVWIXUHW-KGLIPLIRSA-N 319.361 -0.106 30 20 DBED CC(=O)NC[C@H]1CN(Cc2cnc3c(C#N)cnn3c2)CCO1 1771751065 LJWIJKYSRGTBKB-AWEZNQCLSA-N 314.349 -0.062 30 20 DBED CO[C@H]1C[C@H](C(=O)O)CN(S(=O)(=O)N(C)CCC#N)C1 1777159706 OXYRLZCKUGXMNY-UWVGGRQHSA-N 305.356 -0.502 30 20 DBED C[C@H](S)C(=O)N1CC[C@@]2(CN(C(=O)CN(C)C)CCO2)C1 1783889989 NKKZBYNKOHHPRT-SMDDNHRTSA-N 315.439 -0.304 30 20 DBED COCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C#N)CC3)C[C@@H]21 1786491456 ONAMGQWYTMXCMI-AVGNSLFASA-N 321.377 -0.084 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)n1ccnc1)C2 1800451108 WXGPZXKRLBOURC-XPCVCDNBSA-N 316.361 -0.333 30 20 DBED N#CCCN(Cc1cccnc1)S(=O)(=O)N1CCNCC1 19987490 XJOQUBIIDDALBM-UHFFFAOYSA-N 309.395 -0.053 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@H]2CC(=O)N(CC)C2)CC1 75893339 RMARJAHOEATCGH-ZDUSSCGKSA-N 322.409 -0.699 30 20 DBED CC(=O)N1CCN(C(=O)[C@@H](C)O/N=C(\N)C(F)(F)F)CC1 89506912 NSTDWAHQXFEFRD-SSDOTTSWSA-N 310.276 -0.083 30 20 DBED COC(=O)CN(CC#N)C(=O)Cn1c(=O)n(C)c2ccccc21 120657680 UHHVNENNGOCIPM-UHFFFAOYSA-N 316.317 -0.135 30 20 DBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@H](C)O 269484455 RFNVWAADXNZWRO-ZJUUUORDSA-N 311.363 -0.278 30 20 DBED C=CCS(=O)(=O)CCNC(=O)c1cnc2[nH]c(=O)[nH]c2c1 290377408 HXQKUVAUCLPPEK-UHFFFAOYSA-N 310.335 -0.418 30 20 DBED C#CCO[C@@H](C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)OC 297635210 XIJMZMCARTZFIU-RYUDHWBXSA-N 312.366 -0.155 30 20 DBED C[C@H](CNS(=O)(=O)N1CCO[C@@H](C#N)C1)N(C)C1CC1 337089965 IZUULCKWDRQZRO-PWSUYJOCSA-N 302.400 -0.472 30 20 DBED C[C@@H]1CS(=O)(=O)C[C@@H]1NS(=O)(=O)c1cccnc1C#N 341960328 GZUOWVJOTNOASF-SCZZXKLOSA-N 315.376 -0.335 30 20 DBED CN(CC(=O)Nc1nc[nH]n1)S(=O)(=O)c1ccc(C#N)cc1 343481231 CDQJTLNLDMNLFM-UHFFFAOYSA-N 320.334 -0.064 30 20 DBED Cc1cc(C(=O)NCC(=O)NCC#N)nc2nc(O)nc(O)c12 343544197 OKLRBYMYJGKQMG-UHFFFAOYSA-N 316.277 -0.886 30 20 DBED C=CCCO[C@H](C)C(=O)N1CCC[C@@H](CNS(N)(=O)=O)C1 352153166 DVGGKLDWJNUEOL-NEPJUHHUSA-N 319.427 -0.001 30 20 DBED COC(=O)[C@@H]1CS(=O)(=O)CCN1Cc1nc(C#N)cs1 356411590 XSKGCTYHIHVBQZ-VIFPVBQESA-N 315.376 -0.213 30 20 DBED COc1cc(C#N)ccc1S(=O)(=O)NCc1nnn(C)n1 362986734 NTGQALNUQMAUMM-UHFFFAOYSA-N 308.323 -0.431 30 20 DBED N#Cc1cccc(CNC(=O)CN2CCN3C(=O)NC[C@H]3C2)c1 364337598 MKOVQOQEVBZZLP-AWEZNQCLSA-N 313.361 -0.116 30 20 DBED C[C@@H]1CN(C(=O)C(=O)NCCOc2ccc(C#N)cc2)C[C@@H]1N 419458150 BEJZVMNAMSVNAZ-RISCZKNCSA-N 316.361 -0.141 30 20 DBED C=CCn1cc(CNc2nc(C)c(S(N)(=O)=O)s2)nn1 425261184 COCNRISDQRGCNJ-UHFFFAOYSA-N 314.396 0.489 30 20 DBED Cn1nnc(CNC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)n1 427926776 SWJRVVOPKPMYAA-UHFFFAOYSA-N 319.712 -0.010 30 20 DBED C=CCNC(=O)CS(=O)(=O)c1nnc2nc(C)cc(C)n12 429900293 RWVWWESZAMQYHQ-UHFFFAOYSA-N 309.351 -0.183 30 20 DBED CC[C@@H](NS(=O)(=O)CCCC#N)C(=O)N1CCOCC1 437286579 GOJNRBUOTFHOJQ-LLVKDONJSA-N 303.384 -0.153 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCN(S(=O)(=O)C2CC2)CC1 529722235 SJKLFFJYIBARPK-ZDUSSCGKSA-N 302.396 -0.050 30 20 DBED C=CC[C@H](CC)NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 563454940 QNULBHJFPQLYRZ-QJPTWQEYSA-N 308.382 -0.772 30 20 DBED CN1CCC(C#N)(NC(=O)c2cc(O)nc(N(C)C)n2)CC1 572665084 DSXYUQXGTCKTQQ-UHFFFAOYSA-N 304.354 -0.034 30 20 DBED C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCC1(C#N)CC1 584817204 HHAMJKLHNHAGFO-VIFPVBQESA-N 311.367 -0.493 30 20 DBED CC(C)[C@@H](NS(C)(=O)=O)C(=O)N1CC[C@@](O)(CC#N)C1 592842708 JZEROCXGGUCQSM-PWSUYJOCSA-N 303.384 -0.563 30 20 DBED C=CCC[C@@H](NC(=O)CNS(=O)(=O)N(C)C)C(=O)OCC 597733070 POKMQTKFLUTZFL-SNVBAGLBSA-N 321.399 -0.604 30 20 DBED N#CCC1(O)CN(C(=O)CCn2nnc3ccccc3c2=O)C1 614708024 QGCVOHHWBYDFRO-UHFFFAOYSA-N 313.317 -0.331 30 20 DBED C=CCCCCNC(=O)C(=O)NCc1nc(O)cc(CN)n1 659748378 USLSBOATSGRMJM-UHFFFAOYSA-N 307.354 -0.270 30 20 DBED N#Cc1ccc(N2CCN(C(=S)NCC(N)=O)CC2)nc1 727077433 GWJGIXMRDQLPIK-UHFFFAOYSA-N 304.379 -0.565 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O 735477202 MLYCSYVXPQRKOU-KBPBESRZSA-N 315.377 -0.261 30 20 DBED C#CCNC(=O)CN1CC[S@@](=O)C[C@@H]1c1cnn(CC)c1 753810316 IWXLCWFKBMZPQF-LRTDBIEQSA-N 308.407 -0.242 30 20 DBED C#CCNS(=O)(=O)N1CCN(CC[C@H]2CCOC2=O)CC1 761023118 DRDLEWSIXYSMTJ-LBPRGKRZSA-N 315.395 -0.975 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)C(=O)OC(C)(C)C)CC1 764863212 JPHPJUAZMQMROM-UHFFFAOYSA-N 311.382 -0.226 30 20 DBED CNC(=O)C1(C(=O)OCc2cc(O)n3ncc(C#N)c3n2)CC1 783512583 KLXFMQLKDHQPGU-UHFFFAOYSA-N 315.289 -0.124 30 20 DBED Cc1ccc(C(=O)N2CCN(S(N)(=O)=O)CC2)cc1C#N 799600401 JRROPUUUCXNCSM-UHFFFAOYSA-N 308.363 -0.172 30 20 DBED COC[C@@H](C)CNC(=O)C(=O)NCCNc1ccc(C#N)cn1 803157008 ROCIPEUOZJJXLG-NSHDSACASA-N 319.365 -0.120 30 20 DBED N#Cc1ccc(NCCNC(=O)C(=O)N[C@H]2CCOC2)nc1 804697943 WLRJWANIDDYXOR-NSHDSACASA-N 303.322 -0.614 30 20 DBED N#Cc1c(NC[C@H]2CC(C(N)=O)=NO2)cccc1S(N)(=O)=O 808043899 QBRMLEKDHRQHSO-SSDOTTSWSA-N 323.334 -0.752 30 20 DBED CC#CCS(=O)(=O)NC(=O)c1c(C)oc2ncn(C)c(=O)c12 810775161 YTTOPXRDDVXATK-UHFFFAOYSA-N 323.330 -0.082 30 20 DBED C#CC[C@H](CO)NC(=O)c1nc(S(C)(=O)=O)n2ccccc12 816671640 DHYMNGNGMFGJPA-SNVBAGLBSA-N 321.358 -0.148 30 20 DBED O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N[C@@H]1CCN(O)C1=O 816695155 WMLNHYHPNFLXKW-SNVBAGLBSA-N 322.277 -0.569 30 20 DBED C=CCN1CCN(CN2CC[C@H](S(=O)(=O)NC)C2)C1=O 840031142 HIJIGKAKHCXSEG-NSHDSACASA-N 302.400 -0.509 30 20 DBED CC#CC[C@@H](CO)NC(=O)Cc1ccc(S(N)(=O)=O)cc1 844117093 BJMWIGGVBRBWCB-LBPRGKRZSA-N 310.375 -0.233 30 20 DBED C=C(C)CONC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 846537361 INIGKPGAJAWJQR-QWRGUYRKSA-N 316.379 -0.354 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)NCCc1cnc(C)cn1 875402911 JJNRVZIOJJNTFT-ZDUSSCGKSA-N 318.377 -0.012 30 20 DBED C#CC1(O)CN(C(=O)N[C@H]2CCCN(CC(F)(F)F)C2=O)C1 893776673 XFMZLFFIQPCLMR-VIFPVBQESA-N 319.283 -0.071 30 20 DBED C#CCN1CCC(NC(=O)[C@@H](C)NS(=O)(=O)CC)CC1 928651159 PBZOWHVDXKERDT-LLVKDONJSA-N 301.412 -0.472 30 20 DBED C[C@H]1CN(C(=O)CC(N)=O)CC[C@@H]1NC(=O)c1ccc(C#N)[nH]1 945230364 ZMYJOIHWFLOHRV-ONGXEEELSA-N 317.349 -0.271 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)[C@H]1COCCN1C)CCO2 949078735 QDXDOHPYSUCPLC-OAHLLOKOSA-N 321.421 -0.356 30 20 DBED N#Cc1cc(C(=O)N2CC[C@@H]2CNC(=O)[C@@H]2COC(=O)N2)c[nH]1 949690729 QICSORCQZQCOHN-MNOVXSKESA-N 317.305 -0.675 30 20 DBED C#Cc1ccc(C(=O)N(C)C2CN(C(=O)CC(N)=O)C2)nc1 954913544 OPRWZCGZMUUWGT-UHFFFAOYSA-N 300.318 -0.779 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@@H](CNC(=O)C2CN(C(C)=O)C2)C1 958013844 CXDYDAYJVGLKML-DZGCQCFKSA-N 309.410 -0.160 30 20 DBED C=CCCN1C[C@H](CNC(=O)c2cc(=O)n(C)cn2)[C@@H](O)C1 958150205 ZWKTUNUNPCBOGA-AAEUAGOBSA-N 306.366 -0.621 30 20 DBED N#Cc1cc(C(=O)NC2[C@H]3CN(CC(=O)N4CCC4)C[C@H]23)c[nH]1 958587138 OHHLPJOPZCNYCV-STQMWFEESA-N 313.361 -0.221 30 20 DBED CC#CCN1C[C@H](CNC(=O)c2cnn(C)c2OC)[C@@H](O)C1 958626696 PWVSYGGRCCLGBC-AAEUAGOBSA-N 306.366 -0.526 30 20 DBED O=C([C@@H]1CCOC1)N1C[C@H]2[C@@H](C1)OCCN2C(=O)C#CC1CC1 960360673 HRWJCMLJIRNNHK-QLFBSQMISA-N 318.373 -0.126 30 20 DBED C#CCCN1C[C@@H]2C(NC(=O)c3nc(O)nc(O)c3OC)[C@H]2C1 962281842 REPAJFJXOOERSU-IUCAKERBSA-N 318.333 -0.420 30 20 DBED N#CCNC1CC2(C1)CC(NC(=O)C[C@@H]1NC(=O)NC1=O)C2 963961683 UGDZMXZDILFZKO-QXVNIHLASA-N 305.338 -0.875 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CN(C(=O)C3=CCOCC3)CCO2)C1 965360880 JVNOVUVMJHJWCY-LBPRGKRZSA-N 319.361 -0.067 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H](NC(=O)[C@H]2CCCC(=O)N2)C1 965990818 XLBXKZKIPJKEDI-IJLUTSLNSA-N 306.366 -0.078 30 20 DBED C[C@H](C#N)C(=O)N1CC(N2CCN(C(=O)C#CC3CC3)CC2)C1 967209200 AUKUCTMUCVYCNP-CYBMUJFWSA-N 314.389 -0.086 30 20 DBED C[C@H](NC(=O)c1c[nH]c(C#N)c1)C1CN([C@H]2CCNC2=O)C1 969526846 QFHRTBYKTAVVBG-ZANVPECISA-N 301.350 -0.175 30 20 DBED C[C@@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)c1c[nH]c(=O)cn1)C2 969805126 JWSHBYAPNZTJRE-DCAQKATOSA-N 315.333 -0.255 30 20 DBED Cc1cn2nc(C(=O)N[C@@H](C)C3CN(CC#N)C3)cc2c(=O)[nH]1 970217207 NTRMDUNNNQJDBJ-JTQLQIEISA-N 314.349 -0.095 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)C[C@H]3CCC(=O)N3C)C2)C1 972493362 XRWBPKGEBALPMP-RHSMWYFYSA-N 319.405 -0.066 30 20 DBED Cn1ncc(C(=O)N[C@H]2C[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)n1 974049314 ISSROCIDGVGROF-AOOOYVTPSA-N 313.321 -0.294 30 20 DBED CN1CC[C@H](C(=O)N[C@H]2CN(CC#N)CC2(C)C)S1(=O)=O 977321826 ZUYPGJPADXNPDR-MNOVXSKESA-N 314.411 -0.630 30 20 DBED C=CCCN1C[C@H]2[C@H](CNC(=O)[C@@H]3CC(=O)NC(=O)N3)[C@H]2C1 978801017 WGEFRXRFRBPAHU-YFKTTZPYSA-N 306.366 -0.545 30 20 DBED N#CCN1C[C@H]2C[C@@H](NC(=O)Cn3cnnc3O)CC[C@H]2C1 979614952 IZTIMOSLTQBITJ-TUAOUCFPSA-N 304.354 -0.276 30 20 DBED Cn1nnc(CN2CCCN(C(=O)c3ccc(C#N)[nH]3)CC2)n1 980991246 HKSPTUFQOCMJIO-UHFFFAOYSA-N 314.353 -0.242 30 20 DBED C#CCN1CCCC2(C1)CN(C(=O)[C@@H]1CN(C(C)=O)CCO1)C2 982135455 ITKVFDWNZUXHTN-HNNXBMFYSA-N 319.405 -0.209 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](CNC(=O)c2c[nH]c(=O)cn2)C1 983210186 BXTINHMCSJACDI-VHSXEESVSA-N 303.322 -0.492 30 20 DBED CN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CCCN(C(=O)C(N)=O)C1 984584809 MXIWMJQECWDYDC-JTQLQIEISA-N 303.322 -0.565 30 20 DBED CN1CCOC[C@H]1C(=O)NC1CN(C(=O)c2ccc(C#N)[nH]2)C1 990921672 OSRJQXLBFMPOIS-ZDUSSCGKSA-N 317.349 -0.842 30 20 DBED C#CCN1CC[C@]2(NC(=O)CN3C(=O)CCC3=O)CCC[C@@H]12 992463587 JZTPTSDULAXKEY-MLGOLLRUSA-N 303.362 -0.118 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)c2noc3c2COCC3)C1 992547399 LVKFECUHVPZFPX-QMMMGPOBSA-N 304.306 -0.152 30 20 DBED Cn1cnn(CC(=O)N2C[C@@H]3CCC[C@@H](NCC#N)[C@H]3C2)c1=O 992742998 QRBXPQNOISYGNC-RWMBFGLXSA-N 318.381 -0.678 30 20 DBED C=CC(C)(C)C(=O)N1CC(NC(=O)C[C@@H]2CC(=O)NC2=O)C1 995293967 KIPLUMPEOLJUOR-SECBINFHSA-N 307.350 -0.422 30 20 DBED CC(=O)N1CCO[C@H](C(=O)N2C[C@H](NCC#N)C(C)(C)C2)C1 996573623 KSMXTKLQFALGOX-STQMWFEESA-N 308.382 -0.416 30 20 DBED C#CCNC1CCN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)CC1 997099714 BVJVWEMMHNCAGW-UHFFFAOYSA-N 314.349 -0.715 30 20 DBED Cc1nnc(O)c(C(=O)NC2CN(C(=O)[C@H](C)C#N)C2)c1C 997320020 ZKEDTRGQAFGFNX-SSDOTTSWSA-N 303.322 -0.101 30 20 DBED C[C@@H](C#N)C(=O)N1CC(CNC(=O)[C@H]2CCCS2(=O)=O)C1 1002280966 UEESIDMERPLWPQ-GXSJLCMTSA-N 313.379 -0.702 30 20 DBED C[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1NC(=O)C(N)=O 1005208650 VCGAAOOPSCQZMV-KWQFWETISA-N 303.322 -0.662 30 20 DBED C[C@@H](C#N)C(=O)N1CC([C@H](C)NC(=O)c2nnc(O)nc2O)C1 1006493634 MQBZYROZRFCXOV-BQBZGAKWSA-N 320.309 -0.981 30 20 DBED CCN1CCOC[C@H]1C(=O)N1CCN(C(=O)C#CC2CC2)CC1 1011110575 GDSBAUPDLXXPTL-HNNXBMFYSA-N 319.405 -0.209 30 20 DBED C#Cc1ccc(C(=O)N2CCN(C(=O)Cc3nc[nH]n3)CC2)nc1 1011804650 JXBOAXFBCZIYPH-UHFFFAOYSA-N 324.344 -0.292 30 20 DBED CNC(=O)Cc1noc(CN[C@H]2CCN(C(=O)[C@H](C)C#N)C2)n1 1018616984 CFITVOASPZDWIA-ZJUUUORDSA-N 320.353 -0.792 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](NCc2nnc3n2CCOC3)C1 1018631493 GARMZGRDBAXSKX-MNOVXSKESA-N 304.354 -0.342 30 20 DBED Cn1nnnc1CN[C@H]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 1020088334 JASJMKRSMMBDNX-MGCOHNPYSA-N 300.326 -0.540 30 20 DBED C[C@H]1[C@@H](NC(=O)c2cn(C)c(=O)n2C)CCN1C(=O)[C@H](C)C#N 1020537079 LBLHHUCYTGLKLV-VWYCJHECSA-N 319.365 -0.397 30 20 DBED C=C(C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC(=O)N2)C1 1023203135 XGSJCWQWCPYUDV-IJLUTSLNSA-N 323.393 -0.445 30 20 DBED CC#CCN1CCC[C@@H](CNC(=O)c2cn(C)c(=O)nc2O)C1 1023744299 LCIMELLKHJSUAR-LBPRGKRZSA-N 318.377 -0.049 30 20 DBED CC#CCN1CCC[C@H]1CNC(=O)c1cn(C)c(=O)nc1O 1028312273 GXAYVPMPIAJLEI-NSHDSACASA-N 304.350 -0.297 30 20 DBED CN(C(=O)[C@@H]1CCc2nnc(O)n2C1)[C@H]1CCN(CC#N)C1 1033202513 LSOUTNKLSNNJHJ-MNOVXSKESA-N 304.354 -0.398 30 20 DBED CN(C(=O)[C@@H]1CCc2nnnn2CC1)[C@@H]1CCN(CC#N)C1 1033435466 BNSRBJHJJFOHMQ-VXGBXAGGSA-N 303.370 -0.318 30 20 DBED C=CCCn1cc(C(=O)NC[C@@H]2CN(CCCO)CCO2)nn1 1035540015 UNTDFKZORDIGNZ-CYBMUJFWSA-N 323.397 -0.333 30 20 DBED C=CCN1CCO[C@H](CNC(=O)c2ccc(=O)n(CC)n2)C1 1035550928 HNEVNAGDZNBNSD-GFCCVEGCSA-N 306.366 -0.120 30 20 DBED C[C@@H]1CN(C(=O)CN2CC(=O)N(C)C2=O)CC[C@@H]1NCC#N 1036263550 RJIBIRYQFKYEJZ-MNOVXSKESA-N 307.354 -0.769 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)CCn3ncn(C)c3=O)CC[C@@H]21 1036778576 VIOIPTZUTDHWLJ-KGLIPLIRSA-N 317.393 -0.472 30 20 DBED C#CCCCC(=O)NC[C@]1(O)CCN(C(=O)CN(C)C(C)=O)C1 1039574190 OUSJKJHJMRJTJU-MRXNPFEDSA-N 323.393 -0.652 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@]1(O)CCN(C(=O)c2cc[nH]n2)C1 1039575811 GILUXCXADLGMLX-LSDHHAIUSA-N 322.365 -0.570 30 20 DBED C[C@]1(C(=O)N2CC[C@](O)(CNC(=O)C#CC3CC3)C2)CCOC1 1039681115 ULQVGCQZUKPVSC-IRXDYDNUSA-N 320.389 -0.094 30 20 DBED Cn1ncc(C(=O)N2CC[C@H]3CN(c4nccnc4C#N)C[C@H]32)n1 1040664792 IZBLTNHKJZCSTO-GXFFZTMASA-N 324.348 -0.172 30 20 DBED COCC1(C(=O)N2CC[C@@](O)(CNC(=O)[C@H](C)C#N)C2)CC1 1040760861 AIMPXUSYTWPIBU-IAQYHMDHSA-N 309.366 -0.348 30 20 DBED N#Cc1cncc(N2C[C@@H](O)[C@H](NC(=O)Cc3cccnc3)C2)n1 1040973262 QXJYURCBBJEGSS-ZIAGYGMSSA-N 324.344 -0.348 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)c3cnon3)C2)nc1 1041133203 AOULWPWXELNWOT-GHMZBOCLSA-N 300.278 -0.684 30 20 DBED Cc1nn[nH]c1C(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1O 1041283442 MYASJFDJUXMGPK-GHMZBOCLSA-N 313.321 -0.641 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)CCSC)C1 1041374991 WEMMSWSTWZNAPT-NSHDSACASA-N 314.407 -0.533 30 20 DBED C=C(C)CCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]2C(=O)OC)C1 1041983999 IOIOZVFNPYRFBM-VXGBXAGGSA-N 324.377 -0.159 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)c2cc(CC)on2)C1 1042039644 GAQOTZVSRBLOMC-UHFFFAOYSA-N 323.349 -0.257 30 20 DBED C=C[C@H](C)[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2cnnn2C)C1 1042857085 PZCYZRJRJMGOPH-WDEREUQCSA-N 321.381 -0.424 30 20 DBED C=CCCOCC(=O)NCC1(O)CN(C(=O)C[C@@H](C)OC)C1 1043563523 ARFYSIQKCIPDTI-GFCCVEGCSA-N 314.382 -0.306 30 20 DBED C=CCn1cc(C(=O)N(C)C2CN(Cc3cn(C)nn3)C2)nn1 1044020813 FTDWYRRAUKPTAA-UHFFFAOYSA-N 316.369 -0.451 30 20 DBED C=CCn1cc(C(=O)N(C)C2CN(CC(=O)N3CCC3)C2)nn1 1044022300 KCBFLJGFXJTCQC-UHFFFAOYSA-N 318.381 -0.547 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)C[C@H]2CCCC(=O)N2)C1 1044159107 RBERNCKYXKICJH-GFCCVEGCSA-N 323.393 -0.299 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1045010928 YPLKCGDHFIEOFT-IMRBUKKESA-N 306.362 -0.628 30 20 DBED Cc1ncc(C(=O)NCC2(O)CN(C(=O)[C@H](C)C#N)C2)n1C 1045152465 HRELSEZEGGJMDK-SECBINFHSA-N 305.338 -0.809 30 20 DBED N#Cc1nccnc1N1CC[C@@H]2CCN(C(=O)C(N)=O)C[C@@H]21 1045195830 YVORXCJRIYTQJB-ONGXEEELSA-N 300.322 -0.739 30 20 DBED C=CCCCC(=O)NCC1(O)CN(C(=O)c2nnn(C)c2C)C1 1045450890 FEXQKXCBLGUZQI-UHFFFAOYSA-N 321.381 -0.217 30 20 DBED Cc1cc(CC(=O)N2CC(O)(CNC(=O)[C@@H](C)C#N)C2)n(C)n1 1045555477 RITDREMMLXQQPX-JTQLQIEISA-N 319.365 -0.880 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)CCc2cn[nH]c2)C1 1045555540 SPCXAHWYHSBFRE-SNVBAGLBSA-N 305.338 -0.809 30 20 DBED C=CCN1CC[C@H](N2CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)C1 1046079420 WKBIKPYOBRMJSY-KBPBESRZSA-N 306.410 -0.331 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2ccncc2)C1 1048016814 PVSWNQLIQNXPFB-KBPBESRZSA-N 319.361 -0.072 30 20 DBED CCOCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]c(C#N)c2)C1 1048708679 JSTGGVUYGHRXNH-STQMWFEESA-N 320.349 -0.433 30 20 DBED CC#CCN1C[C@H]2CN(C(=O)c3cn(CCOC)nn3)C[C@H]2C1 1048816537 ZHLNAYCKKAYLCY-OKILXGFUSA-N 317.393 -0.048 30 20 DBED Cc1[nH]nc(C(=O)N2CC[C@@H](N3CCN(CC#N)CC3)C2)c1O 1052014506 GCNQREMOSWYWNO-GFCCVEGCSA-N 318.381 -0.221 30 20 DBED C#CCCN1CCN([C@H]2CCN(C(=O)c3ncn(C)n3)C2)CC1 1052022919 OWRHNOWQPQDNJE-AWEZNQCLSA-N 316.409 -0.330 30 20 DBED C#CCN1CCN([C@@H]2CCN(C(=O)[C@@]34COC[C@@H]3C4)C2)CC1 1052031884 ZVGWWBLVEMQWKR-UXLLHSPISA-N 303.406 -0.125 30 20 DBED C=CCn1cccc1C(=O)N1C[C@H](CNC(=O)C(N)=O)[C@@H](C)C1 1052814101 LDYGDIKVUPDQLY-RYUDHWBXSA-N 318.377 -0.016 30 20 DBED C=C(C)CN1CC2(C1)CN(C(=O)CN1CCOCC1=O)CCO2 1053288430 JRNOONDFIQDBLF-UHFFFAOYSA-N 323.393 -0.666 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)c1ccc(C(N)=O)[nH]1)CCO2 1053432468 YTLPHCJTRPFHFH-UHFFFAOYSA-N 316.361 -0.336 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)[C@@H]3CC(=O)N(C)C3)CO2)C1 1053822942 ZHJZSKHJKJIGJY-CHWSQXEVSA-N 305.378 -0.553 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)[C@@H]3CN(CC)CCO3)CO2)C1 1054014397 NTBZSQMENMJCHT-CABCVRRESA-N 321.421 -0.310 30 20 DBED N#Cc1ccc(N2CCN(C(=O)[C@H]3COC(=O)N3)CC2)nn1 1055785128 AAVOBRRTVJWCDU-SNVBAGLBSA-N 302.294 -0.895 30 20 DBED CCn1cc(C(=O)N2CCN(c3cnc(C#N)cn3)CC2)nn1 1055886665 VVNBDCMSASFGKU-UHFFFAOYSA-N 312.337 -0.078 30 20 DBED Cn1ncc(C(=O)NC2[C@@H]3CN(c4ccc(C#N)nn4)C[C@@H]23)n1 1056256403 KRJJGCNQZPXSMZ-NXEZZACHSA-N 310.321 -0.659 30 20 DBED N#Cc1cnc(N2C[C@H]3[C@H](NC(=O)C(N)=O)[C@H]3C2)c(Cl)c1 1056382540 ORSPHLKUHMRZTA-MBTKJCJQSA-N 305.725 -0.357 30 20 DBED N#Cc1cncc(N2C[C@H]3[C@H](NC(=O)Cc4cnc[nH]4)[C@H]3C2)n1 1056429038 XIFNPAUAEUTGJO-JYAVWHMHSA-N 309.333 -0.135 30 20 DBED N#Cc1ccc(N[C@@H]2CCN(C(=O)CN3CCOCC3)C2)nn1 1056607992 SIYARRPDJUOBEE-CYBMUJFWSA-N 316.365 -0.307 30 20 DBED N#CCSCC(=O)NCCN(CCO)C(=O)[C@H]1CCCO1 1056892797 JQIOUQMKIZDNKE-LLVKDONJSA-N 315.395 -0.641 30 20 DBED CN(c1cnc(C#N)cn1)[C@H]1CCN(C(=O)c2cnnn2C)C1 1056908760 TZPNBFPKKNELKA-NSHDSACASA-N 312.337 -0.172 30 20 DBED C#CCO[C@H](C)C(=O)NCCN(CCO)C(=O)c1cnc(C)[nH]1 1057206009 DKBBRTHWYYLJCN-LLVKDONJSA-N 322.365 -0.693 30 20 DBED C=CCCO[C@@H](C)C(=O)NCCN(CCO)C(=O)c1ncc[nH]1 1057519295 ORQWADIHYRKLMB-LBPRGKRZSA-N 324.381 -0.058 30 20 DBED N#Cc1nccc(N2CCC[C@H](NC(=O)[C@H]3CCNC3=O)C2)n1 1058220975 QOSBTSIERIYXRB-QWRGUYRKSA-N 314.349 -0.431 30 20 DBED CC#CCCCC(=O)NCCN(CCO)C(=O)c1[nH]nnc1C 1058279699 IJYMYTGJAMULBH-UHFFFAOYSA-N 321.381 -0.143 30 20 DBED N#Cc1ccc(N2CC[C@H](NC(=O)[C@@H]3CCNC(=O)C3)C2)nn1 1058335838 GOZVSXZXPMBENG-PWSUYJOCSA-N 314.349 -0.431 30 20 DBED N#Cc1ccc(N2CC[C@H](NC(=O)C[C@@H]3CCNC3=O)C2)nn1 1058465115 KXJMHMVJHFNIMM-JQWIXIFHSA-N 314.349 -0.431 30 20 DBED CN1C[C@H](C(=O)N[C@H]2C[C@@H](Nc3ccc(C#N)nn3)C2)CC1=O 1059862174 BEBVUZJVEFLTEL-JLLWLGSASA-N 314.349 -0.114 30 20 DBED N#Cc1nccnc1NC[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1 1060899342 DTTZDOHBXRFZJP-QWRGUYRKSA-N 314.349 -0.113 30 20 DBED C=CCOCC(=O)NC[C@H]1COCCN1C(=O)c1cnccn1 1061421641 RDJUVBFAJHGNLK-LBPRGKRZSA-N 320.349 -0.364 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@H]1COCCN1C(=O)c1cnco1 1061537901 FZZPENLHUGXWPP-ABAIWWIYSA-N 323.349 -0.041 30 20 DBED O=C(CN1CCCC1)NC[C@@H]1COCCN1C(=O)C#CC1CC1 1061600348 MHWRRZUDFKZFEG-OAHLLOKOSA-N 319.405 -0.161 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)c1cc[n+]([O-])cc1 1061845239 FVUMYZRCAODQHL-AAEUAGOBSA-N 318.333 -0.563 30 20 DBED N#Cc1nccc(N2[C@H]3CC[C@H]2CN(C(=O)c2cnn[nH]2)C3)n1 1062054758 MXYIULDMGVVASS-UWVGGRQHSA-N 310.321 -0.040 30 20 DBED C=CCOCC(=O)N1CCCC[C@@H]1CNC(=O)Cn1cnnn1 1062067627 VAALXQRLTNBVJD-GFCCVEGCSA-N 322.369 -0.627 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)CCn2ccnn2)CCO1 1065088314 WWXDXALYBVQSAT-CYBMUJFWSA-N 321.381 -0.022 30 20 DBED C#CCOCCC(=O)N1CCO[C@@H](CNC(=O)[C@H](C)C#N)C1 1065150108 LNVVDBUPFOKPNH-OLZOCXBDSA-N 307.350 -0.470 30 20 DBED C[C@H](CC(N)=O)C(=O)N1CCO[C@@H](CNC(=O)C#CC2CC2)C1 1065420488 LKLFXJMSXVXJHJ-YPMHNXCESA-N 321.377 -0.745 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1COC2(C1)CN(C(=O)COC)C2 1068832669 IANLBTITBAHWNO-FZMZJTMJSA-N 312.366 -0.554 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H]1COC2(C1)CN(C(=O)CCOC)C2 1068867720 BUOOIQGSVVWPCM-QWHCGFSZSA-N 324.377 -0.453 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1COC2(C1)CN(C(=O)c1ncc[nH]1)C2 1069002328 DOMFQKICWXFYHG-UWVGGRQHSA-N 303.322 -0.331 30 20 DBED C[C@H]1C[C@H](Nc2cncc(C#N)n2)CN1C(=O)Cn1cnnn1 1069005278 DUQWRHRTURTISH-UWVGGRQHSA-N 313.325 -0.564 30 20 DBED CC(=O)N(C)CC(=O)NCC1(NC(=O)[C@@H](C)C#N)CCOCC1 1070231073 MJCYYKZQQMFOQW-NSHDSACASA-N 324.381 -0.594 30 20 DBED C=C1CCC(C(=O)NC2(CNC(=O)C(N)=O)CCOCC2)CC1 1070241163 XVHPXRRULGCHCZ-UHFFFAOYSA-N 323.393 0.000 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@@H]2CCN(C)C2)C[C@@H]1n1ccnn1 1070327143 UQLWISPWTFDIGN-MCIONIFRSA-N 302.382 -0.796 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CCCN(C(=O)Cn2nccn2)C1 1070791368 JCPOUHJYYMLFQA-CHWSQXEVSA-N 319.365 -0.576 30 20 DBED C=CCOCC(=O)N1C[C@H](C)[C@@H](NC(=O)c2cnc(O)n2C)C1 1071804993 JIQFOADCOYCRES-QWRGUYRKSA-N 322.365 -0.095 30 20 DBED C=CCCC(=O)N[C@H]1CN(C(=O)C2CC(=O)NC(=O)C2)C[C@H]1C 1072387514 JGTFAWVYDNYPNO-PWSUYJOCSA-N 321.377 -0.032 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCN(CCN3CCNC3=O)C2)C1 1072551761 JENGAEXALCHQBU-GFCCVEGCSA-N 305.382 -0.294 30 20 DBED CC(C)C#CC(=O)N[C@H]1CCN(C(=O)CNC(N)=O)C[C@H]1C 1073932375 FOIKARGNTBQNGT-NEPJUHHUSA-N 308.382 -0.333 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCN(C(=O)c2cnn[nH]2)C[C@@H]1C 1073958911 ALUFVEHHLGUJGR-NWDGAFQWSA-N 319.365 -0.189 30 20 DBED Cn1oc(C(=O)N2CC[C@@H]3OCCN(CC#N)[C@@H]3C2)cc1=O 1074226008 JMVKEFKPYUFVQI-MNOVXSKESA-N 306.322 -0.583 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC[C@H](C)NC(=O)Cn1nccn1 1076304700 AJYKRZVBIZIUJF-SMDDNHRTSA-N 309.370 -0.384 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN(Cc3nnn(C)n3)C[C@H]2O)C1 1077642253 ZYTWKOPNSFNDOZ-GHMZBOCLSA-N 306.370 -0.772 30 20 DBED C#CCOCCC(=O)N1CC(N(CC)C(=O)[C@H]2COCCO2)C1 1079349569 JGUIFNHRSVKKJT-CQSZACIVSA-N 324.377 -0.499 30 20 DBED C#CCNC(=O)CC(=O)N1CC(N(CC)C(=O)[C@H](F)CC)C1 1080253191 QZQIVYPQYUPTIN-GFCCVEGCSA-N 311.357 -0.067 30 20 DBED C=CCN1C[C@@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)[C@H](C)C1 1080723705 OHCAAYVXBMINMQ-GHMZBOCLSA-N 308.382 -0.061 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CO)(NC(=O)CC2(O)CCC2)CC1 1080851910 ICDQPKXCYUVHIU-GFCCVEGCSA-N 323.393 -0.079 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2cc(C)no2)C[C@@H]1O 1081343932 JTNAVQCEMNAEHM-NEPJUHHUSA-N 323.349 -0.265 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2cccnc2)C[C@H]1O 1081344191 NCHVXMGRXTZYDC-ZIAGYGMSSA-N 319.361 -0.167 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)CC(=O)NCC)C[C@H]1O 1081441716 LQRDCXBQKKXONV-QWHCGFSZSA-N 323.393 -0.748 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)c2ccnn2C)C[C@H]1O 1081463871 TUIIFXYVOHRBMX-TZMCWYRMSA-N 318.377 -0.371 30 20 DBED O=C(CC1(O)CCC1)NC[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 1081466003 NVIRZMOWXUHRDK-KBPBESRZSA-N 320.389 -0.360 30 20 DBED C#CCOCCC(=O)NC[C@H]1CN(C(=O)C(C)(C)F)C[C@H]1O 1081486748 WMTTYCNRWNNBTQ-NWDGAFQWSA-N 314.357 -0.290 30 20 DBED C=CC(C)(C)C(=O)NC[C@H]1CN(C(=O)Cn2cncn2)C[C@H]1O 1081645593 PUBNZXFQJDBRFV-NWDGAFQWSA-N 321.381 -0.574 30 20 DBED C=CCCCC(=O)NC[C@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1O 1081703786 UXQAZEGORGDIGU-WDEREUQCSA-N 322.369 -0.885 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C(C)(C)C)C1 1081759635 CXRQCMRGMNPQGN-NWDGAFQWSA-N 323.393 -0.893 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H]1CCCCN1C(=O)[C@H](C)C#N 1082267245 KULJCRIBGLAXJQ-OLZOCXBDSA-N 318.377 -0.217 30 20 DBED CC#CCN1C[C@@H](NC(=O)[C@@H]2CN(CC)CCO2)[C@H](OC)C1 1082377065 BDJGEVAPFLHWMZ-KFWWJZLASA-N 309.410 -0.454 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cnn(CC)n1 1083074941 VLLNVNPQVUZNSV-UONOGXRCSA-N 303.366 -0.154 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CC(=O)N(C(C)C)C2)C1 1083503996 LAKDDGPFUXZHCL-MCIONIFRSA-N 307.394 -0.572 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)c2c[nH]nc2[C@H]2CCOC2)C1 1083674334 WDLUBEKQAJGUNC-YUTCNCBUSA-N 318.377 -0.288 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2ncoc2[C@@H]2CCCO2)C1 1083699461 YQANVIRMNZOAHX-VWYCJHECSA-N 306.322 -0.175 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)c2cccc(C(=O)NC)c2)C1 1084075658 PJMMRYWDWZJNKO-CABCVRRESA-N 315.373 -0.156 30 20 DBED C#CCN1CC[C@H](NC(=O)c2ccn(CCN(C)C)n2)[C@@H](O)C1 1090273163 SBMAGSNPMOLBKR-ZFWWWQNUSA-N 319.409 -0.757 30 20 DBED C=CCN1CC[C@@H](NC(=O)CC2CS(=O)(=O)C2)[C@H](O)C1 1090373938 KHJYDDMYVHGCMW-VXGBXAGGSA-N 302.396 -0.842 30 20 DBED CO[C@@H](C)CC(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1O 1090395394 NXEWLEWUFWMUFJ-MVWJERBFSA-N 305.338 -0.561 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2ccnc3[nH]nnc23)[C@@H](O)C1 1090421737 ZGLCPZBNWXBGKV-ZJUUUORDSA-N 301.310 -0.959 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2nnc3ccccc3n2)[C@@H](O)C1 1090431873 FDGAOJIYCWMYNM-OLZOCXBDSA-N 312.333 -0.287 30 20 DBED C#CCN1CC[C@@H](NC(=O)Cc2c(C)nc(C)nc2O)[C@@H](O)C1 1090805221 MELAKHDFZCLNAH-KGLIPLIRSA-N 318.377 -0.474 30 20 DBED CCOCC(=O)N1CCO[C@@H]2CN(c3cnc(C#N)cn3)C[C@@H]21 1091035363 ZOPRWUVBXABGSS-QWHCGFSZSA-N 317.349 -0.199 30 20 DBED Cc1nc(N(C)C)nc(N2C[C@H](O)[C@H](NC(=O)[C@@H](C)C#N)C2)n1 1091079099 JRXJWPNTYYNRAO-GDPRMGEGSA-N 319.369 -0.929 30 20 DBED CNC(=O)NCC(=O)NC[C@H]1C[C@@H](Nc2cnc(C#N)cn2)C1 1091411257 XQENLCJFXYFMPT-AOOOYVTPSA-N 317.353 -0.416 30 20 DBED N#Cc1nc(=NC2CC(CNC(=O)C3(C(N)=O)CC3)C2)cc[nH]1 1092258871 FPJHRWPACAFHHL-UHFFFAOYSA-N 314.349 -0.658 30 20 DBED CC(=O)NCC(=O)N[C@H]1[C@@H]2CN(c3ncc(C#N)cc3F)C[C@@H]21 1093216266 YQQGMVRZHUTADQ-YABSGUDNSA-N 317.324 -0.221 30 20 DBED C=C(C)CN1CC(n2cc(CNC(=O)[C@H]3CCNC3=O)nn2)C1 1094309961 YYXDOXXTONHVRN-ZDUSSCGKSA-N 318.381 -0.537 30 20 DBED CC(=O)N1CC[C@H](C(=O)NCCCN=c2cc[nH]c(C#N)n2)C1 1094528527 DBSOPXQOXRJUAO-LBPRGKRZSA-N 316.365 -0.443 30 20 DBED N#Cc1cnc(NCCCNC(=O)C2CS(=O)(=O)C2)cn1 1094610797 JCWWPEQJMWOAIH-UHFFFAOYSA-N 309.351 -0.689 30 20 DBED CC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN1CCOCC1=O 1095540754 KZRCFLCXIMSOPO-RDBSUJKOSA-N 305.378 -0.410 30 20 DBED CC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cn(C)c(=O)nc1O 1096532213 BYTGFDJCIORLEI-WXHSDQCUSA-N 316.361 -0.156 30 20 DBED N#Cc1ccc(N[C@H]2C[C@H](NC(=O)C3(C(N)=O)CC3)C2)nn1 1097097291 AZKWDQGXWWEIIJ-MGCOHNPYSA-N 300.322 -0.327 30 20 DBED N#Cc1nccnc1NC[C@@H]1CCCCN1C(=O)CNC(N)=O 1097473349 MOTCNVFMKFTTRQ-JTQLQIEISA-N 317.353 -0.190 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CCCS1(=O)=O)Nc1ccc(C#N)nn1 1097883870 SEXLSKGCNPGKEN-ONGXEEELSA-N 323.378 -0.158 30 20 DBED C[C@H](CNC(=O)[C@H]1CCS(=O)(=O)C1)Nc1cnc(C#N)cn1 1098136482 HRLRAEBQAOWWJJ-ZJUUUORDSA-N 323.378 -0.300 30 20 DBED N#Cc1nccnc1N[C@H]1CCC[C@@H](NC(=O)CNC(N)=O)C1 1098589866 OUCBOQJBYFEWTJ-ZJUUUORDSA-N 317.353 -0.144 30 20 DBED CN(c1nccnc1C#N)[C@H]1CCCN(C(=O)CNC(N)=O)C1 1098679970 BIXIXJRLNGRGIP-JTQLQIEISA-N 317.353 -0.556 30 20 DBED C=CCNCc1cn([C@H]2CCN(C(=O)Cn3cncn3)C2)nn1 1098780615 XNEVRTADDCIMFR-ZDUSSCGKSA-N 316.369 -0.381 30 20 DBED N#CCNC(=O)CN1CC[C@@H](NC(=O)c2ccco2)[C@H](O)C1 1099624898 UVROEHNFSYKFOG-GHMZBOCLSA-N 306.322 -0.916 30 20 DBED CC[C@@H](NC(C)=O)C(=O)NCC[C@@H](C)N=c1cc[nH]c(C#N)n1 1099708776 VUYNAEJLTJBULI-ZYHUDNBSSA-N 318.381 -0.008 30 20 DBED C#CCN1CC[C@@H](NC(=O)CCc2cnn(C)c2C)[C@H](O)C1 1099853532 SALZICGCYQGXBQ-HUUCEWRRSA-N 304.394 -0.154 30 20 DBED CCCCS(=O)(=O)CC(=O)N[C@H]1CCN(CC#N)C[C@@H]1O 1100130010 WZBKWZMLHGDHJS-RYUDHWBXSA-N 317.411 -0.724 30 20 DBED CN(CCNC(=O)[C@]1(C)CCNC(=O)C1)c1cncc(C#N)n1 1100398474 JBAKDDOQRXUHIX-OAHLLOKOSA-N 316.365 -0.183 30 20 DBED CCN(CCNC(=O)Cn1cnnc1O)c1ncccc1C#N 1100497988 PHVZLJAKWUYYSB-UHFFFAOYSA-N 315.337 -0.107 30 20 DBED C=CCNC(=O)CNC1CC(CNC(=O)[C@H](CC)NC(C)=O)C1 1100694031 ISPQENJOWBHUEL-RUXDESIVSA-N 324.425 -0.312 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H]1CCN(c2ncc(F)cn2)C1 1100974678 YFFKATWYHDOQQP-NSHDSACASA-N 319.340 -0.302 30 20 DBED CC(=O)N1CCC[C@@H]1C(=O)N(C)CCN=c1cc[nH]c(C#N)n1 1101655220 BTXXIDULMUTVLL-GFCCVEGCSA-N 316.365 -0.349 30 20 DBED C[C@H](CNC(=O)c1ncn(C)n1)CNc1cncc(C#N)n1 1103929181 QWSNBWKPSZPDDK-VIFPVBQESA-N 300.326 -0.045 30 20 DBED N#Cc1cnc(N2CCO[C@@H](CNC(=O)CC(N)=O)C2)c(F)c1 1104305551 QQHZKFOXGLHPHD-JTQLQIEISA-N 321.312 -0.711 30 20 DBED C#CCCNCc1cn(C2CN(C(=O)COCCOC)C2)nn1 1105197030 CRIXMBZEYUQIHP-UHFFFAOYSA-N 321.381 -0.563 30 20 DBED C#CCCNCc1cn(C2CN(C(=O)CCN(C)C)C2)nn1 1105321259 ZYKQTQIQNJBFOQ-UHFFFAOYSA-N 304.398 -0.274 30 20 DBED CN(CCN(C)c1cnc(C#N)cn1)C(=O)[C@H]1CC[C@@H]1C(N)=O 1105521060 ARMYIPMANDJXJB-RYUDHWBXSA-N 316.365 -0.246 30 20 DBED C=CCN1CC(OC2CCN(C(=O)CNC(=O)NC)CC2)C1 1105713777 VFQBUJWKSVIRNS-UHFFFAOYSA-N 310.398 -0.207 30 20 DBED CC[C@H](C)OCC(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1 1105791254 SHOVFCNIYBCCQC-WDEREUQCSA-N 307.354 -0.526 30 20 DBED N#Cc1nc(=NC[C@H](O)CNC(=O)c2ccc(O)nc2)cc[nH]1 1105848443 PBJOQLJXRMTGDY-JTQLQIEISA-N 314.305 -0.926 30 20 DBED Cc1ncc(C(=O)N2C[C@@H](C)[C@H](CNCC(=O)NCC#N)C2)[nH]1 1105938297 OVGZGLQFDOXNRT-ZYHUDNBSSA-N 318.381 -0.344 30 20 DBED Cc1coc(C(=O)NC[C@H](O)CN=c2cc[nH]c(C#N)n2)c1 1106065472 ZAYVJKBYRFNFRP-SNVBAGLBSA-N 301.306 -0.126 30 20 DBED N#Cc1c(Cl)nsc1NC[C@@H](O)CNC(=O)C(N)=O 1106078036 SOZCYAJBZZWMJU-BYPYZUCNSA-N 303.731 -0.958 30 20 DBED C[C@@H](CCNc1cncc(C#N)n1)NC(=O)C1CS(=O)(=O)C1 1106458786 KIOFPWAPZIDVQE-VIFPVBQESA-N 323.378 -0.300 30 20 DBED CCN(CCNc1cnc(C#N)cn1)C(=O)[C@@H]1COC(=O)N1 1106754121 DQVUMUWIAORDSQ-JTQLQIEISA-N 304.310 -0.283 30 20 DBED N#Cc1c[nH]ccc1=NC/C=C\CNC(=O)[C@@H]1CCCNC1=O 1107389211 HLHHFXCBJKBIAM-FYDYADQUSA-N 313.361 -0.014 30 20 DBED C/C=C(/C)C(=O)NC[C@]1(C)CN(CC(=O)NCC#N)CCO1 1107851691 ATVRGHCNESGHDW-KYHFQZCVSA-N 308.382 -0.201 30 20 DBED C[C@H](CNc1nccnc1C#N)NC(=O)[C@H]1CCN(C)C1=O 1108071323 GRWQOIQUXXRPQK-NXEZZACHSA-N 302.338 -0.257 30 20 DBED C[C@@H](CNc1nccnc1C#N)NC(=O)[C@@H]1CCCN1C(N)=O 1108426841 JLJNYHPFOKYJSH-ONGXEEELSA-N 317.353 -0.192 30 20 DBED C[C@H](CN(C)c1ncccc1C#N)NC(=O)CCn1cnnn1 1109053399 KDWBIDCDTDQMHT-LLVKDONJSA-N 314.353 -0.029 30 20 DBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C[C@H]1CCOC1 1109101385 UMQJICFGGMBZSD-MQYQWHSLSA-N 320.393 -0.226 30 20 DBED CN(CCCNc1nccnc1C#N)C(=O)[C@@H]1COCCN1C 1109410215 RMQJNOAIXCSNDZ-ZDUSSCGKSA-N 318.381 -0.061 30 20 DBED C[C@H](NC(N)=O)C(=O)N[C@H](CNc1ccc(C#N)nn1)C1CC1 1109842615 HGNINJDXMQOFFS-GZMMTYOYSA-N 317.353 -0.288 30 20 DBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cocn1 1110386440 PHKLBBPYTBNOLI-FOGDFJRCSA-N 303.322 -0.351 30 20 DBED C[C@H](NC(N)=O)C(=O)N[C@@]1(C)CCN(c2cncc(C#N)n2)C1 1110745441 KGBVROMJNAPGBW-XPTSAGLGSA-N 317.353 -0.510 30 20 DBED C[C@@H](C#N)C(=O)NC[C@]1(O)CCN(c2ncnc3[nH]cnc23)C1 1111042241 RFEBXHNDNQCAOL-LKFCYVNXSA-N 315.337 -0.430 30 20 DBED N#Cc1ccc(N2CC[C@@](O)(CNC(=O)c3nc[nH]n3)C2)cn1 1111088714 DWFGIAZCBFHGJL-CQSZACIVSA-N 313.321 -0.557 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@]1(O)CCN(c2cnc(F)cn2)C1 1111098317 QKRQZHOPIFTTBU-NHYWBVRUSA-N 322.340 -0.289 30 20 DBED N#Cc1cccnc1NC[C@@H]1CN(C(=O)CNC(N)=O)CCO1 1111931277 YGKIDQKMWLVZQN-LLVKDONJSA-N 318.337 -0.739 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)C2=COCCO2)CC1 1112600620 HNQQVFLIVYIXSO-LBPRGKRZSA-N 309.366 -0.291 30 20 DBED CCCNC(=O)NC(=O)CN1CCN(C(=O)C#CC2CC2)CC1 1112825037 QUZJTLCBAZYGKU-UHFFFAOYSA-N 320.393 -0.220 30 20 DBED C[C@@H](CNC(=O)[C@H]1CN(C)C(=O)N1)N(C)c1ccc(C#N)nc1 1113801849 BKYHBLTZNZEQAV-GXFFZTMASA-N 316.365 -0.082 30 20 DBED N#CCSCC(=O)NC1[C@@H]2CN([C@@H]3CCCNC3=O)C[C@@H]12 1113897469 VRZZJNRYCWRGQO-GMTAPVOTSA-N 308.407 -0.432 30 20 DBED C[C@H]1CCN(c2ccncc2C#N)C[C@H]1NC(=O)CNC(N)=O 1113998175 UUUMVSHYXOBUIP-CMPLNLGQSA-N 316.365 -0.047 30 20 DBED CC#CCCCC(=O)NC1[C@@H]2CN(Cc3nc(=O)n(C)[nH]3)C[C@@H]12 1114711202 QMFZYNRSEAMWKF-VXGBXAGGSA-N 317.393 -0.152 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)CCCN(C)C)[C@@H]2C1 1114750545 JVNULFCSVZQFPM-CHWSQXEVSA-N 306.410 -0.876 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@@]3(C)CCOC3)[C@H]2C1 1115015722 JOIVVAYLRSNHDI-DMEJVMROSA-N 305.378 -0.791 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3ccc(C#C)nc3)[C@H]2C1 1115139783 JOZCJVMCAILMFI-QLPKVWCKSA-N 322.368 -0.528 30 20 DBED C=CCN1C[C@H]2C(NC(=O)C[C@@]3(C)CCS(=O)(=O)N3)[C@@H]2C1 1115176625 QXZUYKKCRDERPT-JTNHKYCSSA-N 313.423 -0.309 30 20 DBED CN(C(=O)CNC(N)=O)[C@H](CN=c1cc[nH]c(C#N)n1)C1CC1 1115466967 FYCPTFOWHNFROP-SNVBAGLBSA-N 317.353 -0.913 30 20 DBED C[C@@H](CN(C)C(=O)CCn1cnnn1)Nc1cncc(C#N)n1 1115808901 RSPSWXVRGIZSCT-JTQLQIEISA-N 315.341 -0.316 30 20 DBED C[C@H](CNC(=O)C(=O)Nc1cnn(CC#N)c1)Cn1cccn1 1116332330 SQEHJCFVYXJQLQ-LLVKDONJSA-N 315.337 -0.006 30 20 DBED C#CCNC(=O)C1CCN(C(=O)C(=O)NCc2ccco2)CC1 1116961239 WZYPXFGSHYABEA-UHFFFAOYSA-N 317.345 -0.116 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)NCC1(C(=O)NCC)CCC1 1117583068 WVXVKOVNNQIKFR-NSHDSACASA-N 311.382 -0.274 30 20 DBED COC(=O)NCC(=O)NC[C@H](CO)Nc1nc(C)ccc1C#N 1121113445 TUQMCCDTHLQEHY-LLVKDONJSA-N 321.337 -0.493 30 20 DBED N#Cc1cnc(N[C@@H](CO)CNC(=O)[C@H]2COC(=O)N2)c(F)c1 1121386008 JZUGGKCRPLKTMS-PSASIEDQSA-N 323.284 -0.910 30 20 DBED C=CCO[C@H](C)C(=O)NC[C@H](CO)Nc1nccnc1C#N 1121749591 PYEXMRKDTNNUEM-GHMZBOCLSA-N 305.338 -0.172 30 20 DBED CC[C@H](C(=O)NC[C@H](CO)N=c1cc[nH]cc1C#N)N(C)C 1121812047 IPVIBKPPVDJDIM-TZMCWYRMSA-N 305.382 -0.396 30 20 DBED N#Cc1cncc(N[C@@H](CO)CNC(=O)CCc2ccon2)n1 1122234401 DHFATPXWYHJNKA-GFCCVEGCSA-N 316.321 -0.142 30 20 DBED C[C@]1(C(=O)NC[C@H](CO)Nc2ccc(C#N)nc2)CNC(=O)C1 1122253861 HTOVMLIXJDSAAT-IUODEOHRSA-N 317.349 -0.632 30 20 DBED Cc1nsc(N[C@H](CO)CNC(=O)[C@H]2CCNC2=O)c1C#N 1122353261 AENLYUDLLJQQRF-IUCAKERBSA-N 323.378 -0.652 30 20 DBED Cc1nn[nH]c1C(=O)NC[C@H](CO)N=c1cc[nH]cc1C#N 1122386214 PVMPTXQSJPCWIL-SNVBAGLBSA-N 301.310 -0.996 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)[C@@]23COC[C@@H]2C3)nn1 1122761101 NTILGLVTDZEUHJ-CHIMOYNISA-N 303.322 -0.726 30 20 DBED COCCC(=O)N(C)C[C@@H](O)CN(C)c1nccnc1C#N 1124904508 ZQDUMKQKTYKGSF-LLVKDONJSA-N 307.354 -0.360 30 20 DBED CO[C@H](C)C(=O)N(C)C[C@@H](O)CN(C)c1nc(C)cc(C#N)n1 1124958785 WQMVKLOKMNSIDH-DGCLKSJQSA-N 321.381 -0.053 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)c1nccnc1N 1125034695 TVOAHRBVZIFOQO-UHFFFAOYSA-N 318.381 -0.421 30 20 DBED C#CCNCc1nnc2n1CC[C@H](NC(=O)[C@H](C)C#N)CC2 1127964701 NRNFVTPXMLKKFQ-VXGBXAGGSA-N 300.366 -0.018 30 20 DBED C#CCN1CCn2ncc(CNC(=O)C[C@@H](C)NC(N)=O)c2C1 1128350691 GLBFDSVIXQMZHQ-LLVKDONJSA-N 318.381 -0.605 30 20 DBED CNC(=O)CCCC(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1 1128929586 LKGBXRVXWXQPPG-NEPJUHHUSA-N 319.369 -0.941 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)Cc1cn(C)nc1C 1129600563 MUPYCOLFFHZBJV-GFCCVEGCSA-N 307.398 -0.332 30 20 DBED C[C@@H](C#N)C(=O)NCc1nc([C@H]2C[C@H](F)CN2CCO)n[nH]1 1131151520 HTZUNEQNZTZSJC-LPEHRKFASA-N 310.333 -0.342 30 20 DBED COCC#CCN1C[C@H]2C[C@H]3CN(C(=O)COC)C[C@@]3(C1)O2 1131164045 AJBTWHRZALEYCC-SQWLQELKSA-N 308.378 -0.416 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1c(C2CC2)noc1C 1131436703 RAXPGDZRTURFFD-UHFFFAOYSA-N 304.350 -0.071 30 20 DBED CCC(=O)N1C[C@H](C)O[C@@]2(CCN(CC(=O)NCC#N)C2)C1 1131615071 CPSPZQCYBDQVTR-SWLSCSKDSA-N 308.382 -0.272 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)CCCCc1cnn[nH]1 1131780291 JYICUPSHRCFOLY-LBPRGKRZSA-N 320.397 -0.639 30 20 DBED C=CCNC(=O)CN1C[C@H](NC(=O)CC(=O)NCC)CC[C@@H]1C 1131979912 DPRCEXOJXRFFTK-QWHCGFSZSA-N 324.425 -0.216 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)c1cncn1C 1134885760 XFOAKJFJNKSBMB-RYUDHWBXSA-N 305.382 -0.344 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCN([C@H](C)C(=O)NC(N)=O)C2)C1 1147256207 OJKWVEWAQBBCDL-VHSXEESVSA-N 307.354 -0.736 30 20 DBED COCC#CCN1CCCO[C@H](CNC(=O)[C@@H]2CCN(C)C2)C1 1150699479 JAPDQDXWKSWLMB-HZPDHXFCSA-N 323.437 -0.205 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)CCC(=O)NCC 1152346035 ANGUFEPJYZYVGX-CYBMUJFWSA-N 324.425 -0.521 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H](C)N(CC)CC(=O)NCC 1152854818 HYYUGNFMSGKUJC-GFCCVEGCSA-N 310.398 -0.911 30 20 DBED C=CCCOCC(=O)NCCNC[C@@H](C)CS(C)(=O)=O 1153091511 RDTFCNYHVMFHQB-GFCCVEGCSA-N 306.428 -0.034 30 20 DBED CC#CCN(CC)[C@H](C)CNC(=O)Cn1ccc(=O)n(C)c1=O 1153710083 FLCDCDFSBVLGCH-CYBMUJFWSA-N 320.393 -0.603 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)c2nn(CC)nc2C)C1=O 1153757154 UZLSZSGCAGTSEM-LBPRGKRZSA-N 320.397 -0.287 30 20 DBED CC(C)C#CC(=O)NCCCNCCN1CCCS1(=O)=O 1157638982 TXMUJVANMLSEHH-UHFFFAOYSA-N 315.439 -0.223 30 20 DBED C#CCNC(=O)CC(=O)NCCC1=CCN(C[C@@H](C)O)CC1 1159891735 RPDRALLZXSHBMC-CYBMUJFWSA-N 307.394 -0.355 30 20 DBED COCC(=O)N[C@H](C)C(=O)NCCC1=CCN(CC#N)CC1 1160221442 GDBXCOUKRYXNJZ-GFCCVEGCSA-N 308.382 -0.201 30 20 DBED CN(C)Cc1cc(C(=O)NCCCNCC(=O)NCC#N)no1 1161547397 LDHHAIWTHRZZOB-UHFFFAOYSA-N 322.369 -0.915 30 20 DBED Cc1ccc(=O)n(CC(=O)NCCC2(CNCC#N)CC2)n1 1167806526 IESSJSDWZQNRLM-UHFFFAOYSA-N 303.366 -0.049 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)CNC(=O)C3CC3)C[C@H]21 1176923022 FQGHRPXNDUKQBQ-KGLIPLIRSA-N 305.378 -0.553 30 20 DBED C=CCOCCN[C@H]1CCN(C(=O)Cn2ncn(C)c2=O)[C@H]1C 1179025673 VXMNDQZIDFAIKO-STQMWFEESA-N 323.397 -0.637 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)C[C@@](C)(O)C2CC2)C1 1182051335 SQQGOZZMRQMSIK-CZUORRHYSA-N 307.394 -0.523 30 20 DBED O=C(C#CC1CC1)N1CC[C@@H](NC[C@H](O)CN2CCCC2=O)C1 1182388553 INEWOJVYTLPPGX-CABCVRRESA-N 319.405 -0.426 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)C2(CCOC)CC2)C1 1183150419 AOXITKMVGMCNJH-CYBMUJFWSA-N 307.394 -0.257 30 20 DBED CCn1cc(C(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)c(C)n1 1185969316 YOEJVNAGDODWBQ-GFCCVEGCSA-N 318.381 -0.345 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)c2cc(C(N)=O)c[nH]2)C1 1186595285 ZTIVEYHQVJMDEI-GFCCVEGCSA-N 304.350 -0.433 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2cc[n+]([O-])cc2)C1 1188727078 OHVZLQPMYJUTQD-CQSZACIVSA-N 316.361 -0.784 30 20 DBED Cc1nnsc1C(=O)N1CC[C@@H](N(C)CC(=O)NCC#N)C1 1188804623 XFZBGYSFKZWFLW-SNVBAGLBSA-N 322.394 -0.367 30 20 DBED C#CCOCCC(=O)N1CC[C@H](N(C)CCS(C)(=O)=O)C1 1190128175 IOWMHHUARIWTBE-ZDUSSCGKSA-N 316.423 -0.396 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)c2cccc(C)n2)C1 1191054124 OBKHBTXMEPVUST-HUUCEWRRSA-N 303.362 -0.185 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)CN(C)C(=O)C2CC2)C1 1193488486 GVRPCQKTPACONT-ZIAGYGMSSA-N 309.410 -0.018 30 20 DBED C#CCCN(C)[C@@H]1CCN(C(=O)[C@@H]2COCCN2C(C)=O)C1 1194124182 JIEWBDCPJQWKLO-CABCVRRESA-N 307.394 -0.210 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)CCCCc2cnn[nH]2)C1 1194982544 NSUOXANSDSGCBV-ZIAGYGMSSA-N 305.382 -0.298 30 20 DBED C#CCNC[C@H]1CN(C(=O)COC[C@H]2CCOC2)CCCO1 1201546939 NYZROPOZSVCIAF-GJZGRUSLSA-N 310.394 -0.120 30 20 DBED C#CCCNC1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)CC1 1202954443 QQMLETSWBXMYFS-UHFFFAOYSA-N 318.377 -0.469 30 20 DBED C[C@H](C(=O)N1CCC[C@@H](NCC(=O)NCC#N)C1)n1cncn1 1207828703 GIJUCTIJNAJGIL-VXGBXAGGSA-N 319.369 -0.941 30 20 DBED Cc1ccc(C(=O)N2CCC[C@H](NCC(=O)NCC#N)C2)nn1 1208006214 XYXOPVZUTGGHQS-LBPRGKRZSA-N 316.365 -0.381 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2cncc(C#C)c2)[C@H](C)C1 1208546142 BNKZANKAJICLEQ-CZUORRHYSA-N 324.384 -0.138 30 20 DBED Cc1ccn(CC(=O)N2CCC[C@H](NCC(=O)NCC#N)C2)n1 1209690177 PGURXBZBQNGTQN-ZDUSSCGKSA-N 318.381 -0.588 30 20 DBED C#CCOCCC(=O)N1C[C@@H](NCCN2CCNC2=O)[C@H](C)C1 1214608979 SRRBVZNNJWDFBR-ZIAGYGMSSA-N 322.409 -0.512 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)C[C@H]2CCNC2=O)C[C@H]1C 1214843264 JJUAAMFDMZNVSS-MGPQQGTHSA-N 307.394 -0.401 30 20 DBED C=CCO[C@H](C)C(=O)N1C[C@@H](NCC(=O)NCC#N)[C@H](C)C1 1216930643 PFNPLWCNNKNVIE-JHJVBQTASA-N 308.382 -0.346 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CNC(=O)C1CC1 1217387832 FSPQYXVUBFIGMU-UONOGXRCSA-N 305.378 -0.553 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C[C@@H](C)SC)C1 1219484367 PTHJYJUTQVLPDQ-UTUOFQBUSA-N 315.439 -0.409 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)C2=CCOCC2)C1 1219505691 IKBUVQGLROBKFU-BNOWGMLFSA-N 323.393 -0.815 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)[C@@H](C)NC(=O)c2ccoc2)C1 1219685220 ZFECWZNWFOOVCE-RTXFEEFZSA-N 307.350 -0.255 30 20 DBED C=CCCCN1C[C@H](O)[C@H](NC(=O)c2cc(=O)n(C)cn2)C1 1219822634 QQRFDWBHLZAVJE-OLZOCXBDSA-N 306.366 -0.479 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)CCCC(=O)NC(C)C)C1 1220795787 LKJBAYQXRNRCSR-KGLIPLIRSA-N 309.410 -0.134 30 20 DBED C#CCOCCC(=O)NCC1CCN(CCOCCO)CC1 1223156677 SWDSFFVHPHHWKW-UHFFFAOYSA-N 312.410 -0.137 30 20 DBED C=CCNC(=O)CN1CCC(CNC(=O)c2nc[nH]n2)CC1 1224894216 IHEDNUJKWUCFHI-UHFFFAOYSA-N 306.370 -0.451 30 20 DBED CC#CCN[C@@H]1CCCC[C@H]1NC(=O)CN(C)S(C)(=O)=O 1226579405 GKUXANWJIWKSAE-CHWSQXEVSA-N 315.439 -0.082 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)c2nnn(C)c2C)CC1 1226707402 DQWLZWNVZDPEQB-UHFFFAOYSA-N 318.381 -0.933 30 20 DBED C=CCn1cc(C(=O)NC2CCN(CC(=O)NCC)CC2)nn1 1229500283 MGTKPKCCYHCMAO-UHFFFAOYSA-N 320.397 -0.206 30 20 DBED CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCC#N 1229859688 BODLDNBZODQTML-ZIAGYGMSSA-N 323.441 -0.015 30 20 DBED C=CCCN1CCS(=O)(=O)[C@@H](CCNC(=O)COC)C1 1230399149 OAXNAQKBSZIUAM-LBPRGKRZSA-N 304.412 -0.186 30 20 DBED C#CCCCC(=O)N(C)C[C@H]1CCN1CCNS(C)(=O)=O 1233948181 RQEFWBMGTKAWKX-CYBMUJFWSA-N 315.439 -0.128 30 20 DBED CC(C)C#CC(=O)N(C)C[C@@H]1CCN1[C@@H]1CCC(=O)NC1=O 1234160559 IFUGUVMVVXVQBC-QWHCGFSZSA-N 305.378 -0.016 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1C[C@@H](C)C[C@@H]1C 1261180435 CXZGDYZIMIPGKO-QWRGUYRKSA-N 302.396 -0.040 30 20 DBED C#CCN1CCC(C(=O)N[C@@H]2CCN(C[C@H](O)COC)C2)CC1 1267754794 VKGYRPGPOARWDX-CVEARBPZSA-N 323.437 -0.471 30 20 DBED C#C[C@@H](C)NC(=O)C(=O)Nc1ccc(C)c(S(N)(=O)=O)c1 1320580519 VETXQJDUAKPHLA-SECBINFHSA-N 309.347 -0.281 30 20 DBED C=CCCN(C)C(=O)C(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 1323651807 KFSULHMQPYJXIZ-LLVKDONJSA-N 317.411 -0.581 30 20 DBED C#C[C@@H](NC(=O)C(=O)NCC(=O)N1CCCC1)[C@H]1CCCO1 1323780668 ANHBAOJQYUKZAX-VXGBXAGGSA-N 307.350 -0.978 30 20 DBED C#CCC[C@@H](O)CNC(=O)NC1CCC2(CC1)NC(=O)NC2=O 1323854228 PNFBYGVPPLELDD-LOIXOFCESA-N 322.365 -0.419 30 20 DBED N#Cc1cccc(NC(=O)C(=O)NCC[C@]2(O)CCCOC2)n1 1327324507 NVDHMABHBMVTJZ-OAHLLOKOSA-N 318.333 -0.060 30 20 DBED COC(=O)CSCCNC(=O)C(=O)Nc1ccc(C#N)cn1 1327829108 ZNIJSPMLIIPJRM-UHFFFAOYSA-N 322.346 -0.086 30 20 DBED C=CCOCCNC(=O)C(=O)NCCC(C)(C)S(C)(=O)=O 1328200338 TZUJPIPZDSKTKF-UHFFFAOYSA-N 320.411 -0.365 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(C)Cc2nnc(C)o2)C1=O 1330926696 ILCVRHALNGIOBO-UHFFFAOYSA-N 321.293 -0.687 30 20 DBED Cc1nc2n(n1)C[C@@H](NC(=O)C(=O)N1CC[C@@](F)(C#N)C1)CC2 1341738190 XMPHNFKXXMUERO-IINYFYTJSA-N 320.328 -0.518 30 20 DBED CN1CCC(CNC(=O)CCn2cc(C#N)c(O)nc2=O)CC1 1361998981 YKHDAVAJXBJLNV-UHFFFAOYSA-N 319.365 -0.331 30 20 DBED Cn1cc(C[C@@H](CO)NS(=O)(=O)CC2(CC#N)CC2)cn1 1364869274 INJXDBWVSGVMKV-LBPRGKRZSA-N 312.395 -0.063 30 20 DBED Cn1cncc1CNC[C@@H](O)CNC(=O)c1cc(C#N)c[nH]1 1379181157 MANBKZIDIFNPKV-GFCCVEGCSA-N 302.338 -0.500 30 20 DBED COCCn1cc(C(=O)N(C)C[C@@H](C)NC(=O)[C@H](C)C#N)nn1 1381995769 YUJULROVQPXXHJ-GHMZBOCLSA-N 322.369 -0.339 30 20 DBED COCCN(CCNC(=O)[C@H](C)C#N)C(=O)c1ncccn1 1383330716 GZCUKSWZMZRWHF-LLVKDONJSA-N 305.338 -0.159 30 20 DBED Cc1ncnc(O)c1CCC(=O)N1CC(NC(=O)[C@@H](C)C#N)C1 1389410823 SABKYUMWKYSHQL-VIFPVBQESA-N 317.349 -0.090 30 20 DBED CCN(CCC#N)C(=O)CN1CC(NC(=O)[C@@H]2CCOC2)C1 1400348403 JXYRNSSZGYFFKN-GFCCVEGCSA-N 308.382 -0.415 30 20 DBED Cn1c(N)c(C(=O)CN2CCC[C@H](C#N)C2)c(=O)n(C)c1=O 1413063519 QLYBZEPFUQBVTQ-SECBINFHSA-N 305.338 -0.916 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)CNC(=O)C(C)(C)C)[C@H]2C1 1415066634 OSXJHOZFJLHCEE-MEWQQHAOSA-N 320.393 -0.119 30 20 DBED CN1CCC[C@H](CN(C)C(=O)Cn2cc(C#N)c(O)nc2=O)C1 1417647645 SAFILOPYBDSUTB-NSHDSACASA-N 319.365 -0.379 30 20 DBED CCN(CCC#N)C(=O)CN[C@H](C)CNC(=O)c1cnn[nH]1 1419788376 NZDDOVDJTKIYTK-SNVBAGLBSA-N 307.358 -0.725 30 20 DBED C[C@H](C#N)C(=O)N(C)C[C@@H]1CCCN1C(=O)c1c[nH]c(=O)cn1 1426313738 OLNQEAYEOOCUGX-MNOVXSKESA-N 317.349 -0.007 30 20 DBED C[C@@H](C#N)C(=O)NC1CN(C(=O)[C@H]2CCc3cncn3C2)C1 1430286838 DCMUJBRHDHEQKZ-QWRGUYRKSA-N 301.350 -0.068 30 20 DBED CC[C@@H](CNC(=O)c1cn(CCOC)nn1)NC(=O)[C@@H](C)C#N 1432699726 ZKCWVKDIZGHINH-QWRGUYRKSA-N 322.369 -0.291 30 20 DBED CCCN1CCC[C@@H]1C(=O)NCCn1cc(C#N)c(O)nc1=O 1434207894 PBLZVYHSQQTAFD-GFCCVEGCSA-N 319.365 -0.189 30 20 DBED CC1CCN(C(=O)CNC[C@H](O)CNC(=O)[C@H](C)C#N)CC1 1438981080 IUPKHUNFZCOGFA-OLZOCXBDSA-N 310.398 -0.529 30 20 DBED COC(=O)C1(C#N)CCN(C(=O)Cn2ccc(O)nc2=O)CC1 1449422444 HZSKRYJAPZRXCL-UHFFFAOYSA-N 320.305 -0.746 30 20 DBED CN(CCNC(=O)[C@H]1CCC(=O)N1)C(=O)c1cc(C#N)c[nH]1 1455173279 AELKYWUKQQRNDT-SNVBAGLBSA-N 303.322 -0.647 30 20 DBED CNC(=O)NCC(=O)N1CCC[C@@H]1CN(C)C(=O)[C@H](C)C#N 1486554910 GFGLHCSYKCABLC-GHMZBOCLSA-N 309.370 -0.476 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@@H](O)CNCC(=O)N2CCCC2)c1 1496958261 ARPGLSZLWSLDLH-LBPRGKRZSA-N 319.365 -0.811 30 20 DBED CNC(=O)COc1cccc(CC(=O)[C@@H](C#N)C(=O)NC)c1 1523894404 KLVLTNSYZXQRBL-GFCCVEGCSA-N 303.318 -0.191 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@H](C)N(CC)C(=O)CNC(=O)O 1573346673 GEDWFJFAQPXXPY-YGRLFVJLSA-N 315.370 -0.066 30 20 DBED C#C[C@@H](NC(=O)N1C[C@H]2COC[C@@]2(C(=O)O)C1)[C@@H]1CCCO1 1588385728 HCCFHYNWTGQHTK-OXIQGZBJSA-N 308.334 -0.090 30 20 DBED C#CCN1CCN(C(=O)CN[C@](C)(CC(=O)O)C2CC2)CC1 1588476496 CSYJVBWUXPBFNJ-MRXNPFEDSA-N 307.394 -0.003 30 20 DBED C#CCOCCC(=O)NC[C@@H](C)N=c1cc[nH]c(C(=O)O)n1 1588489803 MLRMWRHFLRHBFN-SNVBAGLBSA-N 306.322 -0.447 30 20 DBED CC1(C#N)CCN(C(=O)C(=O)N2CCO[C@@H](C(=O)O)C2)CC1 1589181837 RBJNSNJECZZFIA-SNVBAGLBSA-N 309.322 -0.549 30 20 DBED O=C(Cc1ccc(-c2nn[nH]n2)nc1)N[C@@H]1CCCN(O)C1=O 1592916226 YQROLRITPSJKMP-SNVBAGLBSA-N 317.309 -0.699 30 20 DBED N#CCC(=O)N1CCN(C(=O)c2cnc(C(=O)O)cn2)CC1 1594606371 VZORERWEUDKUAR-UHFFFAOYSA-N 303.278 -0.627 30 20 DBED N#CCN(CC(=O)O)C(=O)CCN/C(O)=C1\N=CC=CC1=O 1601069081 DJXNJNKMEMKZMC-OUKQBFOZSA-N 306.278 -0.660 30 20 DBED N#CCNC(=O)CSc1nc(N)c(C#N)cc1-c1nn[nH]n1 1606349897 KHZIFZHDBAZLFW-UHFFFAOYSA-N 315.322 -0.553 30 20 DBED N#Cc1nc(N2CCCn3nncc3C2)cnc1-c1nn[nH]n1 1606389467 NPYNZTCNGYABIY-UHFFFAOYSA-N 309.297 -0.470 30 20 DBED C=CCOC[C@@H](NC(=O)C[C@H]1CCCS(=O)(=O)C1)C(=O)O 1609432344 OOCLETINYPKVQS-GHMZBOCLSA-N 319.379 -0.027 30 20 DBED CCn1c(CN2CCC[C@H](O)C2)nnc1N1CCO[C@@H](C#N)C1 1647709877 CNKAWCDZUANOHR-STQMWFEESA-N 320.397 -0.017 30 20 DBED COCC#CCNC1CCC(NC(=O)c2nnn(C)n2)CC1 1752851715 AQLUHGKTDOFGIU-UHFFFAOYSA-N 306.370 -0.510 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H]1CC[C@H](NCc2nnn(C)n2)CC1 1753580989 ZLUFDFBRQKCLML-AVGNSLFASA-N 320.397 -0.235 30 20 DBED C#CCNC(=O)CNC[C@@H]1[C@H](C)CCCN1C(=O)CCOC 1753803629 PLOVPWCQZWZFMU-ZIAGYGMSSA-N 309.410 -0.011 30 20 DBED COCC#CCNCCCN(C)C(=O)c1cn(C)c(=O)n1C 1754417271 SMDYIISIJLBERL-UHFFFAOYSA-N 308.382 -0.575 30 20 DBED Cc1nc(C)n(CCNC[C@H]2CN(C(=O)[C@@H](C)C#N)CCO2)n1 1754995904 JLWGASWWIWJSMY-FZMZJTMJSA-N 320.397 -0.128 30 20 DBED CNC(=O)[C@@H](C)NC[C@H]1CN(C(=O)C#CC(C)(C)C)CCO1 1755002137 LOQAJICHJQYURB-OLZOCXBDSA-N 309.410 -0.013 30 20 DBED C#Cc1ccc(C(=O)N2CCO[C@@H](CN[C@H](C)C(N)=O)C2)cc1 1755006784 GQSCHEZCPVBPNE-DOMZBBRYSA-N 315.373 -0.028 30 20 DBED C[C@@H]1C[C@@H](NC(=O)c2cncn2C)CCN1CC(=O)NCC#N 1755160889 ISPMZUHZDOFSBR-NEPJUHHUSA-N 318.381 -0.357 30 20 DBED C=C(C)CN(C)C[C@H](O)CN(C)C(=O)[C@H](C)NS(C)(=O)=O 1755806051 XDNHXNOVLODIDB-RYUDHWBXSA-N 321.443 -0.749 30 20 DBED CC(C)C#CC(=O)NC[C@H](CO)NC(=O)[C@@]12CCCN(CC1)C2 1756516842 AALHANPSOKNKMI-PBHICJAKSA-N 321.421 -0.275 30 20 DBED O=C(C#CC1CC1)NC[C@@H](CO)NC(=O)CCOCC(F)F 1756520108 VAALSTGMHCIEPP-NSHDSACASA-N 318.320 -0.335 30 20 DBED C=CC(C)(C)C(=O)N[C@H](CO)CNC(=O)c1cnnc(O)c1 1756527983 LUNZLXVTFISYPR-JTQLQIEISA-N 308.338 -0.399 30 20 DBED CC(C)C#CC(=O)N(C)C[C@H](O)CNC(=O)C1=COCCO1 1756661720 DBXXSPBLYTYMTE-GFCCVEGCSA-N 310.350 -0.531 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@H](C)N(CC)C(=O)Cn1cnnn1 1756851996 VJSNQLBMTJWXSL-BXUZGUMPSA-N 324.385 -0.647 30 20 DBED C=CCO[C@H](C)C(=O)N1CC[C@H](NC(=O)Cn2cncn2)[C@H]1C 1757543601 GSKUAWXUUUVBMA-UPJWGTAASA-N 321.381 -0.025 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnc(N)s1)CCO2 1783049771 QURROTGMDYXJSG-CQSZACIVSA-N 320.374 -0.198 30 20 DBED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)COCCO)CCO2 1785428144 PVWWTJUBKLBUPS-INIZCTEOSA-N 324.377 -0.761 30 20 DBED O=C(O)C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cn[nH]c1 1797042536 CURXOBNNOOMRRU-ZSBIGDGJSA-N 316.317 -0.251 30 20 DBED Cn1nccc1C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846195141 HCFKSGCYMUGFCR-UHFFFAOYSA-N 316.317 -0.675 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)N2CCCC2)CC1 51955582 SLQMONAIDPTTCQ-ZDUSSCGKSA-N 322.409 -0.556 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCOC[C@@H]2C)c1=O 73586528 CQBJXCNKKYSSRD-LBPRGKRZSA-N 322.365 -0.778 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](CN)CC(C)C)C1=O 262590373 BAGGEQYSVHMDMB-SNVBAGLBSA-N 310.354 -0.547 30 20 DBED C/N=C(/NC[C@H]1CN2CCN1CC2)NC1CCN(C(C)=O)CC1 262759336 COGQNTCNXBVLSL-HNNXBMFYSA-N 322.457 -0.838 30 20 DBED CC[C@@]1(CO)CCCN(c2c(C#N)c(=O)n(C)c(=O)n2C)C1 274972708 AGGHQKDEXJJVJP-OAHLLOKOSA-N 306.366 -0.055 30 20 DBED C=CC[C@@H](CO)NC(=O)[C@@H]1C(C)[C@H]1C(=O)N[C@H](CO)CC=C 295054492 BQXURGGDPCSRJE-IGQOVBAYSA-N 310.394 -0.025 30 20 DBED CC(=O)NCC/N=C(\N)N1CCN(C(=O)OC(C)(C)C)CC1 303787734 SSNBTQBBWWIWDB-UHFFFAOYSA-N 313.402 -0.010 30 20 DBED CC(C)(C/N=C(/O)NC[C@]1(O)CCOC1)N1CCOCC1 328863165 VUNAMINQSFXGOB-CQSZACIVSA-N 301.387 -0.248 30 20 DBED CN(C)C(=O)CN1CCC(/N=C(/O)N2CC(=O)N(C)C2)CC1 329642241 YGEBKGKYJZEWSL-UHFFFAOYSA-N 311.386 -0.816 30 20 DBED O=C1C[C@H](/N=C(/O)N2CCN3C(O)=NC[C@@H]3C2)CN1C1CC1 329793413 BAQUDWOORCUSJQ-GXSJLCMTSA-N 307.354 -0.423 30 20 DBED CC(C)N1C[C@H](/N=C(/O)N2CCS(=O)(=O)CC2)CC1=O 329816304 OBXQBKVCYKZMMY-SNVBAGLBSA-N 303.384 -0.360 30 20 DBED CC(C)N1CC[C@@H](N/C(O)=N/CCNS(C)(=O)=O)C1=O 330790999 SXTWIABHYHHMJC-SECBINFHSA-N 306.388 -0.952 30 20 DBED CNC(=O)[C@@H]1CCCN(/C(O)=N/CCN2C(=O)CCC2=O)C1 330838694 VMJIYYFCQAIZFS-SNVBAGLBSA-N 310.354 -0.493 30 20 DBED CN(C(=O)CNS(=O)(=O)c1cnn(C)c1)C1(C#N)CCC1 331378594 LYQNWVJKIAMEBL-UHFFFAOYSA-N 311.367 -0.397 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)NCc2ccnc3ccnn23)CCO1 336896153 NIDQNJPIDDATSS-LLVKDONJSA-N 322.350 -0.712 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)NCCN1C(=O)CCCC1=O 337069533 NJKDDKWCZGUYAT-JTQLQIEISA-N 316.383 -0.549 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1CC[C@@H](CO)[C@@H]1C 337150491 IVSPVVGQTCLZRP-RYUDHWBXSA-N 305.400 -0.204 30 20 DBED CCC(O)(CC)CCNS(=O)(=O)N1CCO[C@H](C#N)C1 337176822 JPBFPFNNGRFYFL-LLVKDONJSA-N 305.400 -0.014 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1CC[C@@](F)(CO)C1 338437772 QGQUHDNTNXPBLY-NSHDSACASA-N 309.363 -0.500 30 20 DBED CC[C@H](C#N)NS(=O)(=O)c1cccc(S(N)(=O)=O)c1 339417547 RIZKHGMCQIBXRD-MRVPVSSYSA-N 303.365 -0.086 30 20 DBED N#C[C@@H]1CSCCN1C(=O)CNC(=O)c1ncccc1O 342229495 XIUMDUNQSMEDEX-SECBINFHSA-N 306.347 -0.015 30 20 DBED C[C@H](CO)NC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 345094667 FIWBKBHUBWSIKG-SNVBAGLBSA-N 311.363 -0.324 30 20 DBED CC(=O)NC[C@@H]1CN([C@H](C)C(=O)NC2(C#N)CCC2)CCO1 346244917 MQPSPLXTAFKTEI-DGCLKSJQSA-N 308.382 -0.226 30 20 DBED C[C@H](CO)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N 359127630 FNANNJLGXSWZCO-VIFPVBQESA-N 307.354 0.193 30 20 DBED CCN(CCC#N)C(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 359346360 LKRJVQSSXHVUFN-CQSZACIVSA-N 322.409 -0.071 30 20 DBED N#CCN1CCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)CC1 365863293 VPHYTEGAFMOBME-KGLIPLIRSA-N 320.393 -0.176 30 20 DBED C=CCNC(=O)NC(=O)CN1CCS(=O)(=O)CC[C@@H]1C 376429865 VPHNZKSCVFPSJG-JTQLQIEISA-N 303.384 -0.493 30 20 DBED COC(=O)c1ccc(S(=O)(=O)N2CC(O)(CC#N)C2)o1 440090356 UCLJUTIZHHMDKQ-UHFFFAOYSA-N 300.292 -0.285 30 20 DBED COCCN(CC#N)C(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 457184583 SCONKSKEUNUQBB-CDGCEXEKSA-N 317.345 -0.208 30 20 DBED C#CCN(CC#CC)S(=O)(=O)CCNS(=O)(=O)CC 490819423 HRBYNLLCKJSTCW-UHFFFAOYSA-N 306.409 -0.786 30 20 DBED C#CCNC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(CC)C2)CC1 491047903 WAHDBTWHMSLMPO-ZDUSSCGKSA-N 305.378 -0.157 30 20 DBED C#CCNC(=O)CCNCC1(N2CCOCC2)CCN(C)CC1 491415071 GCGSXXADVUBZBL-UHFFFAOYSA-N 322.453 -0.488 30 20 DBED C#C[C@H](C)N(C)S(=O)(=O)c1cnc2c(c1)c(O)nc(=O)n2C 491726696 AEAUAZSUHNKAKT-QMMMGPOBSA-N 322.346 -0.324 30 20 DBED C=CCC[C@@H](CO)NC(=O)N[C@H]1CCN(S(C)(=O)=O)C1 519653854 OPUWBAQJFNKTNN-QWRGUYRKSA-N 305.400 -0.353 30 20 DBED Cc1cnn(C[C@H](NS(=O)(=O)CC2(C#N)CC2)C(=O)O)c1 547873933 GDVIIBRWCRNHQP-JTQLQIEISA-N 312.351 -0.132 30 20 DBED N#Cc1ccc(O[C@@H]2CCN(C(=O)C3(CO)COC3)C2)nc1 557474732 VWIJQIVWXSUGES-GFCCVEGCSA-N 303.318 -0.058 30 20 DBED N#Cc1cnc(N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c([N+](=O)[O-])c1 565232443 GZGGPDYVFHFZMG-NXEZZACHSA-N 302.294 -0.390 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N(CCOC)CC(=O)O 569793545 RINXNRUMWOKOEE-JTQLQIEISA-N 307.372 -0.254 30 20 DBED COC(=O)[C@@H](O)CNCCS(=O)(=O)c1ccc(C#N)cc1 575922756 HSBRIMHWSAMBPK-LBPRGKRZSA-N 312.347 -0.545 30 20 DBED CCN1C[C@@H](NC(=O)C(=O)Nc2cccc(C#N)n2)CC1=O 579709123 SPSAEIJHVYLWSG-JTQLQIEISA-N 301.306 -0.371 30 20 DBED C[C@H](C(=O)N1CC(C#N)C1)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 590485873 QERMAJBEFNGWPI-RPWYLVQBSA-N 303.318 -0.481 30 20 DBED N#CCCN(CCN1CCOCC1)C(=O)CCc1cnn[nH]1 601024422 YOXVCERURZNWDH-UHFFFAOYSA-N 306.370 -0.188 30 20 DBED C[C@]1(CO)C[C@@H](O)CN1CC(=O)NCc1ccc(C#N)cc1 602906283 ILBYJPHUOLJSNJ-GDBMZVCRSA-N 303.362 -0.008 30 20 DBED CCN1CCN(C(=O)[C@H](C)n2cc(CNCC#N)nn2)CC1 603184386 UIJOGVBWHMFRIZ-LBPRGKRZSA-N 305.386 -0.384 30 20 DBED Cn1cc(C#N)c(NC(=O)N(CCO)CCN2CCOCC2)n1 610744216 TXLLWPIKFJHMEN-UHFFFAOYSA-N 322.369 -0.550 30 20 DBED CCCNC(=O)CN(C)C(=O)CN1CCN(CCC#N)CC1 611175758 OZIFFVXAEYLKKG-UHFFFAOYSA-N 309.414 -0.498 30 20 DBED C=CCN(C(=O)CN1CCS(=O)(=O)CC1)[C@@H](C)COC 617577598 RLEHPUPWTURXKC-LBPRGKRZSA-N 304.412 -0.234 30 20 DBED C=CCCn1cc(CNS(=O)(=O)C[C@H](COC)OC)nn1 641638595 ZGKHWZCSYLCXEH-LBPRGKRZSA-N 318.399 -0.065 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCc3c[nH]nc3C2)C1=O 676787988 XDSNMSUPSOVDNO-UHFFFAOYSA-N 317.305 -0.729 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[C@H](C)C2)c1=O 725777312 FAHKPYHAOCRWJW-LBPRGKRZSA-N 306.366 -0.157 30 20 DBED N#CCN1CCC(NS(=O)(=O)N2CCC[C@H]2C(=O)O)CC1 738426477 QMNBJLYEGGTDQJ-NSHDSACASA-N 316.383 -0.642 30 20 DBED Cn1cc(S(=O)(=O)NN=CC(C)(C)C)c(=O)n(C)c1=O 755804397 MFXQTOAXVPWIQL-UHFFFAOYSA-N 302.356 -0.606 30 20 DBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@@H](CO)C1 759701872 RTFVSHDKXRDZRE-SNVBAGLBSA-N 323.374 -0.434 30 20 DBED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NOCCO 787292606 FRQWDDWTJXFZDT-UHFFFAOYSA-N 313.335 -0.845 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@H]1CN(CC)CCO1 805475904 FJWZZVLFVSPPMK-GHMZBOCLSA-N 313.354 -0.349 30 20 DBED C#C[C@H](NC(=O)C(=O)N(C)CCN(C)C1CC1)[C@@H]1CCCO1 809305309 BDVAYURYHYFEJJ-KBPBESRZSA-N 307.394 -0.164 30 20 DBED COc1ccc(CNC(=O)C(=O)N2CCNC(=O)C2)cc1C#N 809502049 BJHQGXVRXWTTMM-UHFFFAOYSA-N 316.317 -0.859 30 20 DBED COC(=O)[C@@H](C)S(=O)(=O)NC(=O)c1ncc(C#N)cc1C 816015407 JAWZYZPXWLTHGU-MRVPVSSYSA-N 311.319 -0.117 30 20 DBED C#C[C@H](NC(=O)C(=O)NCCC(C)(C)C(=O)O)[C@@H]1CCCO1 818658163 RTQBTPOKBKRJCG-QWRGUYRKSA-N 310.350 -0.100 30 20 DBED C#CCNS(=O)(=O)N1CCN(C[C@@H](OC)C2CC2)CC1 822790077 DCQUJRGBQOXIFS-CYBMUJFWSA-N 301.412 -0.503 30 20 DBED Cc1csc2ncc(C(=O)N[C@H]3CNC[C@H]3C#N)c(=O)n12 834483824 ADPWPTXASOINLR-SCZZXKLOSA-N 303.347 -0.094 30 20 DBED C#CCC[C@H](O)CNC(=O)C(F)(F)C(=O)N1CCOCC1 836208931 GPJBONWGRVGQLQ-JTQLQIEISA-N 304.293 -0.629 30 20 DBED CN(CC#N)S(=O)(=O)CCCS(=O)(=O)N[C@@H]1C=CCC1 852904525 LNDOTCUQJFYFNN-LLVKDONJSA-N 321.424 -0.200 30 20 DBED C=C[C@H](CO)NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 856274936 JJYIGWDLTZBQOC-SNVBAGLBSA-N 323.374 -0.222 30 20 DBED C#CCN1CCN(C(=O)c2cn(C[C@@H]3CCOC3)nn2)CC1 859357155 JMAKTCLELUGHIY-ZDUSSCGKSA-N 303.366 -0.294 30 20 DBED C#CCNS(=O)(=O)N1CCN(Cc2cncn2CC)CC1 895918293 LYMHJJXOANZEHP-UHFFFAOYSA-N 311.411 -0.512 30 20 DBED C#CCN1CCC(NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)CC1 928655842 AMJOPJQJLQOFGN-GFCCVEGCSA-N 315.377 -0.024 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)c3nc[nH]n3)C2)nc1 938372342 IAOWEUBUPWMSAW-NSHDSACASA-N 310.317 -0.175 30 20 DBED Cc1nn[nH]c1C(=O)NC[C@@H]1CN(C(=O)[C@H](C)C#N)CCO1 944700221 VXCXLNWEFDNEHC-PSASIEDQSA-N 306.326 -0.770 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2[C@H]3C[C@H]2N(C(=O)Cn2ncnn2)C3)C1 948000391 OOAITZYNGLJIFE-DMDPSCGWSA-N 316.365 -0.255 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]1CNC(=O)c1cc(C(N)=O)c[nH]1 951834201 RJYHWMORFHUMMQ-WPRPVWTQSA-N 303.322 -0.396 30 20 DBED CCN1C[C@H](C(=O)N(C)C2CN(C(=O)C#CC3CC3)C2)CC1=O 954487562 VCSCPYQNUHZYSD-CYBMUJFWSA-N 317.389 -0.063 30 20 DBED C#Cc1cncc(C(=O)N(C)C2CN(C(=O)Cn3cncn3)C2)c1 955263714 IXURWNQWIACNFZ-UHFFFAOYSA-N 324.344 -0.363 30 20 DBED C=CCCN1C[C@H](O)[C@H](CNC(=O)c2ccc3nn[nH]c3n2)C1 958122627 YSMKDYMQKFNNGX-MFKMUULPSA-N 316.365 -0.049 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2CN(CCCF)C[C@H]2O)nn1 958470994 CLFLFVNXUJNFHX-WCQYABFASA-N 311.361 -0.154 30 20 DBED C#CCCN1C[C@@H](O)[C@H](CNC(=O)c2cn(CC=C)nn2)C1 958471587 MNBNWJPFQJOCEI-TZMCWYRMSA-N 303.366 -0.490 30 20 DBED C=C(Cl)CN1C[C@@H]2C(NC(=O)c3nccnc3C(N)=O)[C@H]2C1 962511849 OWOZETRUSKASSX-IUCAKERBSA-N 321.768 -0.012 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)[C@@H]3COCCN3C)C2)C1 972347913 CNXIZCBLFXNNFC-GOEBONIOSA-N 307.394 -0.747 30 20 DBED CC1(C)CN(CC#N)C[C@@H]1NC(=O)[C@H]1CCc2nnc(O)n2C1 974744784 VUDJCBDWZAAPCR-QWRGUYRKSA-N 318.381 -0.104 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H](CNC(=O)c2cnn(C)n2)C1 975378464 BQWLYRQOYVFJNM-GHMZBOCLSA-N 304.354 -0.057 30 20 DBED CN1CCN(CC(=O)N[C@H]2CCC[C@@H](NCC#N)C2)CC1=O 981182642 SNRMXXVYVCNTNZ-OLZOCXBDSA-N 307.398 -0.699 30 20 DBED C#CCN1CCN(C(=O)N2CCN(C(=O)C3CC3)CC2)CC1 985824503 GLRMLUGKKZLLEU-UHFFFAOYSA-N 304.394 -0.089 30 20 DBED CC(=O)N1CC(C(=O)N2CC(NC(=O)c3ccc(C#N)[nH]3)C2)C1 990888998 XUMIFMGNOCCXJL-UHFFFAOYSA-N 315.333 -0.695 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@H](NC(=O)c2cnn(C)n2)[C@@H](O)C1 991607047 WYVRCJQWWVPGST-JQWIXIFHSA-N 321.381 -0.281 30 20 DBED C#CCN1CC[C@]2(NC(=O)CN3CC(=O)NC3=O)CCC[C@@H]12 992341183 WZRFRUSKYLWQBB-IAQYHMDHSA-N 304.350 -0.715 30 20 DBED C#Cc1ccccc1CC(=O)NC1CN(C(=O)c2nnn(C)n2)C1 997244187 FIWCRSQUPNJAMJ-UHFFFAOYSA-N 324.344 -0.625 30 20 DBED C=CCn1cccc1C(=O)N1CC(NC(=O)c2nnn(C)n2)C1 997877154 IUDQIBQLVIRHDT-UHFFFAOYSA-N 315.337 -0.548 30 20 DBED COc1ccc(C(=O)NCC2CN(C(=O)[C@H](C)C#N)C2)nn1 1004321490 ZINLXSCLVABFCD-SECBINFHSA-N 303.322 -0.167 30 20 DBED C[C@@H](NC(=O)c1cnn(C)c1N)C1CN(C(=O)C#CC2CC2)C1 1005951173 HSTDHOFDVRMQMC-SNVBAGLBSA-N 315.377 -0.008 30 20 DBED C[C@@H]1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)CN1C(=O)CC(N)=O 1018072177 WKONLYMFKDYOBZ-KOLCDFICSA-N 317.349 -0.129 30 20 DBED N#Cc1ccc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3CNC(=O)N3)C2)cc1 1022631406 ZXKOUIAVHGGOFN-MJBXVCDLSA-N 313.361 -0.024 30 20 DBED C=C(C)CN[C@H]1C[C@@H](NC(=O)[C@H]2CCN(C)S2(=O)=O)C1 1022839517 IWYHRNRJUXXYIA-GRYCIOLGSA-N 301.412 -0.167 30 20 DBED CCn1nccc1C(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1O 1023502671 BGCRRUFMJSYMMH-HOSYDEDBSA-N 305.338 -0.636 30 20 DBED Cn1cncc1CC(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1024777403 YOJDYVJTWGYYNW-ZIAGYGMSSA-N 316.361 -0.936 30 20 DBED C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2cnc(O)n(C)c2=O)C1 1025504789 FEBHKNFPYYJNGC-VXGBXAGGSA-N 318.377 -0.051 30 20 DBED C#CCN1CCC[C@@H]1CNC(=O)c1ccc(-n2cnnn2)cn1 1028047129 PUUGQFYDEVGSMK-GFCCVEGCSA-N 311.349 -0.115 30 20 DBED C=CCN1CC[C@@H](N2CC(CNC(=O)c3cnn(C)n3)C2)C1=O 1032050878 JKWCNFVMBRAYNG-CYBMUJFWSA-N 318.381 -0.736 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2[C@@H](C)C(=O)NC 1032453541 FBPSZJDWFCPNDH-AJNGGQMLSA-N 318.421 -0.496 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)c2ccnn2CCOC)C1 1035411800 MTRBDBUQQDLWKD-ZDUSSCGKSA-N 306.366 -0.407 30 20 DBED C=C(C)CN1CCO[C@H](CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 1035508130 OLLQWTOQDVDKCX-FRRDWIJNSA-N 311.382 -0.588 30 20 DBED CC#CCN1CCO[C@@H](CNC(=O)[C@@H]2CN(C(C)=O)CCO2)C1 1035593762 ZTRBWWGNHWSXKC-GJZGRUSLSA-N 323.393 -0.926 30 20 DBED C#CCN1CC2(CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)CC2)C1 1035793221 OQIZEBVIOPQCNU-QWHCGFSZSA-N 305.378 -0.423 30 20 DBED C#CCN1CC[C@H]2CN(C(=O)Cn3ccc(O)nc3=O)CC[C@H]21 1036763477 BFBKZQCUOTZZJE-QWHCGFSZSA-N 316.361 -0.495 30 20 DBED CC(C)(C)n1nnc(CC(=O)N[C@H]2[C@H]3C[C@H]2N(CC#N)C3)n1 1037414940 POMHVVSDRSAHES-CWSCBRNRSA-N 303.370 -0.317 30 20 DBED CC(C)C#CC(=O)NC[C@]1(O)CCN(C(=O)c2nc[nH]n2)C1 1039665053 CWZYDMHYLBMYIB-CQSZACIVSA-N 305.338 -0.843 30 20 DBED COCC1(C(=O)N2CC[C@@](O)(CNC(=O)C#CC3CC3)C2)CC1 1039688447 IHAVIEMUMZFXPU-QGZVFWFLSA-N 320.389 -0.094 30 20 DBED CC(C)C#CC(=O)N1CC[C@@](O)(CNC(=O)[C@@]23COC[C@@H]2C3)C1 1040066341 SJRQCWVGFPISSY-XKQJLSEDSA-N 320.389 -0.238 30 20 DBED CC#CCCCC(=O)NC[C@]1(O)CCN(C(=O)CNC(C)=O)C1 1040605359 IGUQIPNOPNZZLQ-MRXNPFEDSA-N 323.393 -0.604 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)Cc2ncc[nH]2)C1 1040696119 YEFVMETVVGTNKQ-YGRLFVJLSA-N 305.338 -0.809 30 20 DBED C[C@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)c2cncnc2)C1 1040760168 FYERPITXLQOERN-YGRLFVJLSA-N 303.322 -0.671 30 20 DBED Cc1cncn1CC(=O)N1CC[C@](O)(CNC(=O)[C@H](C)C#N)C1 1040766355 OMDHPPMJRIZPBJ-ABAIWWIYSA-N 319.365 -0.569 30 20 DBED C#CCCN1CC[C@@]2(CCN(C(=O)Cn3cnnc3O)C2)C1 1041226459 AKPBVJJXBJTEGU-OAHLLOKOSA-N 303.366 -0.069 30 20 DBED C#CCCCCC(=O)N1CC(O)(CNC(=O)C2=COCCO2)C1 1041326852 SWPOQTKPORGTHM-UHFFFAOYSA-N 322.361 -0.242 30 20 DBED C#Cc1ccc(C(=O)N2CC(O)(CNC(=O)CSC)C2)cn1 1041359811 GZUSCEWNAQCCEY-UHFFFAOYSA-N 319.386 -0.271 30 20 DBED C=CCN1CC[C@@]2(CCN(C(=O)CN3CCOCC3=O)C2)C1 1041362281 GVAWYSZRFYWTJL-MRXNPFEDSA-N 307.394 -0.044 30 20 DBED CC#CCN1CC[C@H]2CCN(C(=O)C3CS(=O)(=O)C3)C[C@@H]21 1042079008 ZVAPJBUBMZHUNY-JSGCOSHPSA-N 310.419 -0.023 30 20 DBED C#CCCN1CC[C@H]2CCN(C(=O)CN3CC(=O)NC3=O)C[C@@H]21 1042273658 UYDMCHZTBPVXJF-STQMWFEESA-N 318.377 -0.516 30 20 DBED N#Cc1cc(C(=O)NCC2(O)CN(C(=O)c3cc[nH]c3)C2)c[nH]1 1042672176 IZLIROHNONTUIM-UHFFFAOYSA-N 313.317 -0.169 30 20 DBED CO[C@@H]1CN(c2ccc(C#N)c(C)n2)C[C@H]1NC(=O)C(N)=O 1042955815 CHBMINPXBBPFJF-GHMZBOCLSA-N 303.322 -0.933 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)CCCC#CC)C1 1043043335 INPZKBWLPWYIQG-AWEZNQCLSA-N 320.389 -0.092 30 20 DBED CCc1n[nH]cc1C(=O)NCC1(O)CN(C(=O)C#CC(C)C)C1 1043799434 DPXWPCGBJJQREB-UHFFFAOYSA-N 318.377 -0.065 30 20 DBED C=CCCCC(=O)N1CC(O)(CNC(=O)[C@H]2CN(C)C(=O)N2)C1 1044475158 LZQYOKZFKJFLJR-LLVKDONJSA-N 324.381 -0.944 30 20 DBED C=CCCOCC(=O)N1CC(O)(CNC(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1045017206 FKKMFCKKYKAVTI-IMRBUKKESA-N 324.377 -0.839 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)[C@H](F)C(F)(F)F)C1 1045559426 KJGZQEQGQGICDR-BQBZGAKWSA-N 311.235 -0.264 30 20 DBED C#CCN1CCC2(CC1)CO[C@H](CNC(=O)[C@H]1CNC(=O)N1)C2 1045677880 CXVRAQUGTLMEGP-QWHCGFSZSA-N 320.393 -0.712 30 20 DBED C#CCN1CC[C@@H](N2CCN(C(=O)c3cn(C)c(O)n3)CC2)C1 1046060919 HREDJVRKZLVWPL-CYBMUJFWSA-N 317.393 -0.409 30 20 DBED CO[C@@H](CC(C)C)C(=O)NCC1(O)CN(C(=O)[C@@H](C)C#N)C1 1046186122 IGQQRKACXSTKAW-RYUDHWBXSA-N 311.382 -0.103 30 20 DBED C=CCCn1cc(C(=O)N[C@@]2(C)CCN([C@@H](C)C(N)=O)C2)nn1 1046689734 NQCYUADMNOREFG-NHYWBVRUSA-N 320.397 -0.078 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)[C@@H]2CC23CC3)C1 1047148255 PANNICJOXYDJCT-RYUDHWBXSA-N 306.362 -0.486 30 20 DBED CN(C(=O)[C@@H]1CCCc2n[nH]cc21)[C@H]1CN(CC#N)C[C@@H]1O 1047381556 NLQLPZBYCVMDFG-SWHYSGLUSA-N 303.366 -0.143 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cccn3nnnc23)C1 1047392575 OSDPFNHNJUOXAX-STQMWFEESA-N 314.349 -0.735 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2nc(OC)cc(OC)n2)C1 1047429308 SQZABFZXRSCKKA-QWRGUYRKSA-N 320.349 -0.756 30 20 DBED C=C1CC(C)(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)CNC(N)=O)C2)C1 1048207837 SRUDKALNPGIZLR-QWRGUYRKSA-N 324.381 -0.959 30 20 DBED CCO[C@@H](C)C(=O)N(C)[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 1048349319 BVYDYNZUYHPRND-UBHSHLNASA-N 308.378 -0.145 30 20 DBED C#CCCN1C[C@H]2CN(C(=O)c3cn(CCOC)nn3)C[C@H]2C1 1048814977 HBPPRDAECSHDJT-OKILXGFUSA-N 317.393 -0.048 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1049237763 UBEDDDLHTBZKSD-WHRXGGIHSA-N 324.377 -0.889 30 20 DBED C=CCCCC(=O)N(C)[C@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@@H]1O 1049361387 ZIBHFKXKILRQRW-VOAKCMCISA-N 323.393 -0.506 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H]2CN(Cc3nnn(C)n3)C[C@H]21 1049998607 JCSTZAFWXCLSKB-GRYCIOLGSA-N 303.370 -0.207 30 20 DBED C#CCCN1C[C@@H]2CCCN(C(=O)C[C@@H]3CC(=O)NC3=O)[C@@H]2C1 1050221185 UTUKHOMAODOOAJ-MELADBBJSA-N 317.389 -0.015 30 20 DBED C=CCN1CCC2(CC1)CN(C(=O)[C@@H]1CC(=O)NC(=O)N1)C2 1050682730 MFEGBPWRMUUJTH-NSHDSACASA-N 306.366 -0.305 30 20 DBED CC(C)N1C(=O)CC[C@H]1C(=O)NC[C@H]1COCCN1CC#N 1051085685 HQCNBSMUFSLCLN-STQMWFEESA-N 308.382 -0.274 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)c1cccc(C(=O)NC)n1 1051228191 CGSOJQVICFZDBN-LBPRGKRZSA-N 316.361 -0.495 30 20 DBED CN1CC[C@@H](NC[C@@H]2CN(C(=O)C#CC3CC3)CCO2)C1=O 1051609294 QVAPLVHRTOOAGC-ZIAGYGMSSA-N 305.378 -0.553 30 20 DBED N#Cc1cncc(N2CC[C@@H](NC(=O)c3ccon3)[C@H](O)C2)n1 1051631841 LYVFTHATTVOCSC-ZYHUDNBSSA-N 314.305 -0.294 30 20 DBED N#Cc1cncc(N2CC[C@@H](NC(=O)c3cnon3)[C@@H](O)C2)n1 1051718419 OPPQFNOGXDLDLL-KOLCDFICSA-N 315.293 -0.899 30 20 DBED C=CCN1CCC[C@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)CC1 1052764641 PXDLQMDZCAKESO-NSHDSACASA-N 322.365 -0.436 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)[C@@H]1CC(=O)N(CC)C1)CCO2 1053279609 SSOYNEVKXCANOG-CQSZACIVSA-N 319.405 -0.209 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)c1[nH]c(O)nc1C)CCO2 1053298493 WARSWANBLJIZOX-UHFFFAOYSA-N 304.350 -0.026 30 20 DBED C#CCC1(C(=O)NC[C@H]2CN(C(=O)C(N)=O)C[C@@H]2C)CCC1 1053307273 UELPBEXSPUUFBI-RYUDHWBXSA-N 305.378 -0.124 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)c1ccc(C(N)=O)o1)CCO2 1053334066 NYTXRXHGIJEVNM-UHFFFAOYSA-N 317.345 -0.071 30 20 DBED COc1ccc(C(=O)N[C@H]2COC3(C2)CN(CC#N)C3)nn1 1053974360 MESHBYXZLTZORR-SNVBAGLBSA-N 303.322 -0.418 30 20 DBED Cn1ccc(CC(=O)N2CCN(c3cnc(C#N)cn3)CC2)n1 1055800653 PQMKJJPOVJDTCY-UHFFFAOYSA-N 311.349 -0.027 30 20 DBED Cn1nnc(C(=O)N[C@H]2[C@@H]3CN(c4ccncc4C#N)C[C@@H]32)n1 1056372128 IIYFKLSSOYILKQ-IAZYJMLFSA-N 310.321 -0.659 30 20 DBED Cc1cc(=N[C@@H]2CCN(C(=O)c3nnn(C)n3)C2)c(C#N)c[nH]1 1056747525 ZONOOEBTUZTDHA-LLVKDONJSA-N 312.337 -0.466 30 20 DBED C=C[C@@](C)(O)CC(=O)N(CCO)CCNC(=O)Cn1ccnc1 1057452219 XTXLFUBRUVETQY-OAHLLOKOSA-N 324.381 -0.853 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)[C@@H]1CCN(C)C1 1057524947 YBDWPVULYJRAIH-CQSZACIVSA-N 309.410 -0.465 30 20 DBED C#CCOCCC(=O)N(CCO)CCNC(=O)c1cnn(C)c1 1057581863 YESFSNFEVHFTKT-UHFFFAOYSA-N 322.365 -0.989 30 20 DBED C#CCO[C@H](C)C(=O)N(CCO)CCNC(=O)c1ccc[nH]1 1057582830 AEZMYNCSSCBUDO-GFCCVEGCSA-N 307.350 -0.396 30 20 DBED N#Cc1ccc(N2CC[C@@H](NC(=O)CN3CCOCC3)C2)nc1 1058324559 NEXLBFSESIDDDD-CQSZACIVSA-N 315.377 -0.020 30 20 DBED C[C@]1(C(=O)N[C@H]2CCN(c3cncc(C#N)n3)C2)CNC(=O)C1 1058494323 PDJFDOOJGYQDAO-ZUZCIYMTSA-N 314.349 -0.431 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)Cc1ncccc1F 1058498831 HDVYAGLSTPKODU-NSHDSACASA-N 322.340 -0.140 30 20 DBED N#Cc1nccc(N2CCC3(CC2)C[C@@H]3NC(=O)C(N)=O)n1 1058646003 VVALRMWBVGYXSZ-VIFPVBQESA-N 300.322 -0.691 30 20 DBED N#Cc1ccc(N[C@H]2C[C@@H](NC(=O)[C@H]3CCNC3=O)C2)nn1 1059781823 NBNRLHQLPJTEPK-AXFHLTTASA-N 300.322 -0.457 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H]1CCN(C(=O)Cc2nc[nH]n2)C1 1060918238 JYUPLSMLPVXSNQ-NSHDSACASA-N 311.349 -0.004 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)CNC(=O)C1CC1 1061345522 IJTODCOFDBAEQQ-PWSUYJOCSA-N 322.365 -0.984 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1COCCN1C(=O)c1ccnnc1 1061571922 JTSJXYUGIJBYIA-CQSZACIVSA-N 314.345 -0.153 30 20 DBED C=CCCC(=O)N1CCOC[C@H]1CNC(=O)[C@H]1CCNC1=O 1061748282 JNQQBCLRQPCWAJ-NEPJUHHUSA-N 309.366 -0.568 30 20 DBED C[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(C#N)cn1)n1cncn1 1062477829 WRHQPPHVVRWDJS-DRZSPHRISA-N 324.348 -0.010 30 20 DBED CN(C(=O)Cn1ncnn1)[C@H]1CCN(c2ccncc2C#N)C1 1062979510 BHRSDZAFNDKVLN-LBPRGKRZSA-N 312.337 -0.323 30 20 DBED C[C@H](Nc1ccc(C#N)nn1)[C@@H]1CCCN(C(=O)C(N)=O)C1 1063904837 QQTXKTWWHCWIPT-VHSXEESVSA-N 302.338 -0.127 30 20 DBED Cn1cc(C(=O)N2CCO[C@H](CNC(=O)C#CC3CC3)C2)cn1 1064843105 NNSSFQNMKWPJIP-CQSZACIVSA-N 316.361 -0.209 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)Cc2cc[nH]n2)CCO1 1065005580 UNNPYAOAKHDECP-CQSZACIVSA-N 318.377 -0.045 30 20 DBED Cn1nnc(C(=O)N[C@]2(C)CCN(c3ccc(C#N)nn3)C2)n1 1065316795 MVKLNWHDSDHJHV-CYBMUJFWSA-N 313.325 -0.729 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CN(C(=O)Cc2cnoc2)CCO1 1065495943 BEDSRXBVKYYAGT-CMPLNLGQSA-N 306.322 -0.280 30 20 DBED C=C1CC(C)(C(=O)N2CCO[C@H](CNC(=O)CC(=O)NC)C2)C1 1065597228 ZZSFYGYFAUYJAY-GFCCVEGCSA-N 323.393 -0.178 30 20 DBED C#Cc1cncc(C(=O)N(C)CCCN(C)C(=O)CC(N)=O)c1 1067052079 SAPKLDXLWYMBHW-UHFFFAOYSA-N 316.361 -0.141 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](CNC(=O)c3nc[nH]n3)C2)cn1 1067675480 CEKHGOJTCDZSAJ-BXKDBHETSA-N 313.321 -0.702 30 20 DBED CC(C)C#CC(=O)N1CCOC2(C1)CN(C(=O)c1cnn[nH]1)C2 1068394593 ZPMKTWYLOBRYFT-UHFFFAOYSA-N 317.349 -0.483 30 20 DBED CCC1(NC(=O)[C@H](C)C#N)CCN(C(=O)CNC(N)=O)CC1 1069158216 FELOOOVJCNRAPO-SNVBAGLBSA-N 309.370 -0.298 30 20 DBED C#CCCCC(=O)N1CCC[C@@H](NC(=O)Cn2cnnc2O)C1 1070669836 NKVJPNCLHOOTLT-GFCCVEGCSA-N 319.365 -0.106 30 20 DBED CN1CCC[C@H]1C(=O)N1C[C@H]2C[C@@H]3CN(CC#N)C[C@]2(C1)O3 1070775248 YNKNPTXHSQMDIA-HGTKMLMNSA-N 304.394 -0.094 30 20 DBED C#CCCN1C[C@H]2C[C@H]3CN(C(=O)[C@H]4CCC(=O)N4)C[C@@]3(C1)O2 1070775264 YSICYNYBCLUZRF-ZOMKSWQUSA-N 317.389 -0.410 30 20 DBED CC#CCN1C[C@@H]2OC(=O)N([C@@H]3CCN(C(=O)COC)C3)[C@@H]2C1 1070899477 ZFXDURIYMKDSQC-MCIONIFRSA-N 321.377 -0.238 30 20 DBED C[C@@H]1CC[C@H](NC(=O)CN2CCCS2(=O)=O)CN1CC#N 1071550039 WVUKVEPWOSNZAF-NEPJUHHUSA-N 314.411 -0.485 30 20 DBED C=CCOCCCC(=O)N[C@H]1CN(C(=O)CC(N)=O)C[C@H]1C 1071839987 SFXYQLRNLOUMQX-NEPJUHHUSA-N 311.382 -0.192 30 20 DBED C=CCC1(C(=O)N[C@H]2CN(C(=O)C(N)=O)C[C@@H]2C)CCOCC1 1072638552 MDFJFBYNDCCJSS-RYUDHWBXSA-N 323.393 -0.192 30 20 DBED C[C@@H](C#N)C(=O)NC1(C)CCN(C(=O)Cn2cnnc2O)CC1 1072964568 BEPLRCZGEGPPSN-JTQLQIEISA-N 320.353 -0.359 30 20 DBED N#CCN1CCCO[C@H](CNC(=O)c2cc(C(N)=O)c[nH]2)C1 1073838027 XYUVPGQXWZMHMI-LLVKDONJSA-N 305.338 -0.542 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2CN(CCO)CCCO2)nc1 1073865405 ICGSGJFSTGHJQX-CQSZACIVSA-N 303.362 -0.124 30 20 DBED C#CCCN1CCO[C@H]2CCN(C(=O)CCn3ccnn3)C[C@@H]21 1074226608 SXYLPQHGDURHPU-GJZGRUSLSA-N 317.393 -0.007 30 20 DBED C=CCC1(C(=O)NCC2(O)CCN(C(=O)C(N)=O)CC2)CCC1 1074701079 RARKRYMEXWRAJO-UHFFFAOYSA-N 323.393 -0.312 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)CN(C)C(C)C 1076220077 OKSCTXXVADSBJZ-ZDUSSCGKSA-N 324.425 -0.523 30 20 DBED C[C@@H](CCNC(=O)C#CC(C)(C)C)NC(=O)c1nnn(C)n1 1076436961 IJANUPHMKXBYHM-JTQLQIEISA-N 306.370 -0.116 30 20 DBED Cc1cc(C(F)F)n(CC(=O)N[C@@H]2CN(CC#N)C[C@H]2O)n1 1077058670 RMMBRCUMDZBPOG-MWLCHTKSSA-N 313.308 -0.186 30 20 DBED C=CCOc1ccc(CC(=O)N[C@@H]2CN(CCO)C[C@H]2O)cc1 1078243297 DIICOWWRVHMDOY-HZPDHXFCSA-N 320.389 -0.053 30 20 DBED C#CCN[C@H]1C[C@H]2CC[C@H]1N(C(=O)c1nccnc1C(N)=O)C2 1079101972 AHPJYFNVYQZWJN-GRYCIOLGSA-N 313.361 -0.209 30 20 DBED Cn1nc(C(=O)N2C[C@H]3CC[C@H]2[C@@H](NCC#N)C3)ccc1=O 1079102352 NBYKDBIMUVNLIG-DRZSPHRISA-N 301.350 -0.113 30 20 DBED CCN(C(=O)[C@@H]1COC(=O)N1)C1CN(C(=O)C#CC(C)C)C1 1079701226 AEBMZQPPVPAOCU-LBPRGKRZSA-N 307.350 -0.187 30 20 DBED C#CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)CNC(C)=O)C1 1079769345 JXKAXMOIBQTBIL-LLVKDONJSA-N 309.366 -0.780 30 20 DBED C#CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)CC(=O)NCC)C1 1079774295 ABTZOXGUNQFWOL-GFCCVEGCSA-N 323.393 -0.390 30 20 DBED CC#CCCCC(=O)N(CC)C1CN(C(=O)[C@@H]2CNC(=O)N2)C1 1080298334 JSOMDNLCLHZRHJ-ZDUSSCGKSA-N 320.393 -0.079 30 20 DBED CCOCC(=O)NC[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1O 1081221436 UFZZEUVYBRZDAD-YPMHNXCESA-N 320.349 -0.528 30 20 DBED Cc1nc[nH]c1C(=O)N1C[C@H](O)[C@H](CNC(=O)C#CC(C)C)C1 1081463236 KQOGEFBENNGYSN-OLZOCXBDSA-N 318.377 -0.073 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)CCCN(C)C)C[C@@H]1O 1081465415 GWZZJUWCVQUTFG-CABCVRRESA-N 323.437 -0.077 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(C(=O)c2ccon2)C[C@H]1O 1081468659 MQCBNDFILPLMFM-WCQYABFASA-N 303.318 -0.363 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@H](CNC(=O)Cc2ccco2)C1 1081684895 MCGPQVSIDNAVFY-TZMCWYRMSA-N 322.361 -0.040 30 20 DBED C#CCCN1C[C@@H](NC(=O)Cn2ccccc2=O)[C@H](OC)C1 1082364736 QIQXYLOVEWCNDR-ZIAGYGMSSA-N 303.362 -0.313 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H]2CN(Cc3nncn3C)C[C@@H]21 1083026264 UDMLCIHQLHNPQF-SDDRHHMPSA-N 304.354 -0.614 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2sccc2-n2cnnn2)C1 1083600688 IBCCLCGIKRWLPF-SCZZXKLOSA-N 319.350 -0.978 30 20 DBED N#CCN1C[C@H]2CC[C@H]1[C@@H]1CN(C(=O)C3(C(N)=O)CC3)C[C@H]21 1087384443 HEKUCWAIAIWLHT-LPWJVIDDSA-N 302.378 -0.056 30 20 DBED C#CCN1CC[C@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)[C@H]1CC 1087784438 FENMSSKJNBFSMR-NWDGAFQWSA-N 320.393 -0.081 30 20 DBED CCN(c1nccnc1C#N)[C@H](C)CNC(=O)[C@@H]1CCC(=O)N1 1089675286 SQKGVXCLCPRYKR-MNOVXSKESA-N 316.365 -0.042 30 20 DBED Cn1cnc(C(=O)N[C@@H]2CN(CC#N)CC3(CCOCC3)C2)n1 1089940083 XHDWVRAHNUVFHU-LBPRGKRZSA-N 318.381 -0.060 30 20 DBED N#CCN1C[C@H](NC(=O)[C@H]2CCNC2=O)CC2(CCOCC2)C1 1089947621 LPJNNKROVPDNLA-OLZOCXBDSA-N 320.393 -0.367 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2cn(C(C)(C)C)nn2)[C@@H](O)C1 1090315421 JHBKEGGOCQKHAO-YPMHNXCESA-N 305.382 -0.169 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2cc3c([nH]2)CCOC3)[C@H](O)C1 1090316138 MOPINBITJJCCHK-TZMCWYRMSA-N 304.350 -0.224 30 20 DBED COC[C@@H](C)C(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1O 1090388007 RNEPIOSPCJCJFT-YUSALJHKSA-N 305.338 -0.704 30 20 DBED CC(=O)N(C)CC(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1O 1090394999 VAWIHSYQVDNQLX-ZIAGYGMSSA-N 317.349 -0.903 30 20 DBED Cc1cc(N2C[C@@H](O)[C@H](NC(=O)[C@H](O)C(C)C)C2)c(C#N)cn1 1090408264 OCCYJVPXWGJHOO-BPLDGKMQSA-N 318.377 -0.056 30 20 DBED C=CCN1CC[C@@H](NC(=O)c2ccnc3[nH]nnc23)[C@H](O)C1 1090419018 CDAICEURXUVYSD-GHMZBOCLSA-N 302.338 -0.296 30 20 DBED CCCN(C)CC(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@H]1O 1090465019 ZUZSKMNNHQDGBM-UKRRQHHQSA-N 317.393 -0.039 30 20 DBED CN(C)C(=O)CC(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@H]1O 1090546009 MZANCZQKTJRGDR-VXGBXAGGSA-N 317.349 -0.903 30 20 DBED COC[C@H](C)C(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@@H]1O 1091088596 IZCDALMGLWJFMB-SUHUHFCYSA-N 304.350 -0.099 30 20 DBED N#Cc1cnc(N[C@H]2C[C@@H](CNC(=O)Cn3ncnn3)C2)cn1 1091371842 NABPVTHKAPVCOC-AOOOYVTPSA-N 313.325 -0.658 30 20 DBED C#CCOCCC(=O)N[C@H]1CCN(c2nc(C)ns2)C[C@H]1O 1092160978 BMTYBNHHJYEHDU-NWDGAFQWSA-N 324.406 -0.058 30 20 DBED N#Cc1cncc(NCCNC(=O)[C@@H]2CCS(=O)(=O)C2)n1 1093978006 KYFSJJNOCDZXRF-SECBINFHSA-N 309.351 -0.689 30 20 DBED C[C@@H]1C[C@@H](C(=O)NCCNc2cnc(C#N)cn2)CC(=O)N1 1093982934 PHQREJIMYSUWKC-NXEZZACHSA-N 302.338 -0.209 30 20 DBED CN1C[C@H](C(=O)NC[C@]23CCC[C@H]2N(CC#N)CC3)NC1=O 1094488563 FWMSEOBBVDNNFN-LALPHHSUSA-N 305.382 -0.106 30 20 DBED C#CCCN1CC(N2C[C@@H](NC(=O)[C@@H]3CCCOC3)CC2=O)C1 1094711339 DWKPSMMUCYFKMC-KGLIPLIRSA-N 319.405 -0.162 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)C3=CCOCC3)CC2=O)C1 1094731671 QJSHVYRMSAVIDJ-CYBMUJFWSA-N 303.362 -0.632 30 20 DBED CC(=O)NCC(=O)NCC1CCN(c2cncc(C#N)n2)CC1 1095334531 YUSXPRKCOGALTJ-UHFFFAOYSA-N 316.365 -0.183 30 20 DBED CC(=O)NCC(=O)NC1CCN(c2cnc(C#N)cn2)CC1 1095387818 SGUAYDLEHUEPBX-UHFFFAOYSA-N 302.338 -0.431 30 20 DBED CN(CCCNC(=O)c1cnnn1C)c1ccnc(C#N)n1 1095537401 MCQHGODWMNIUTJ-UHFFFAOYSA-N 300.326 -0.267 30 20 DBED CCN(CCCNC(=O)Cn1cnnn1)c1ccnc(C#N)n1 1095824909 IBAACUNGLMZBCE-UHFFFAOYSA-N 315.341 -0.632 30 20 DBED CCc1nc(C#N)cc(N2CC[C@@H](NC(=O)CNC(C)=O)C2)n1 1096311820 QQEWQPNZDOSSMG-LLVKDONJSA-N 316.365 -0.258 30 20 DBED Cc1cc(C#N)nc(N[C@H](C)CNC(=O)CN2CCOCC2)n1 1097783775 PIVNATPPTIWNAE-GFCCVEGCSA-N 318.381 -0.095 30 20 DBED C[C@H](CNC(=O)[C@]1(C)CNC(=O)C1)N=c1cc[nH]c(C#N)n1 1098153584 UYQSGHFQYVQPIW-OTYXRUKQSA-N 302.338 -0.787 30 20 DBED CC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cn1c(O)nnc1O 1098287621 MIGXHZTXPATROX-MXWKQRLJSA-N 305.338 -0.566 30 20 DBED C#CCNCc1cn([C@@H]2CCN(C(=O)[C@H](O)C(C)C)C2)nn1 1098666952 MHICSWVXZHNHJK-ZIAGYGMSSA-N 305.382 -0.209 30 20 DBED CCN(CCC#N)C(=O)CN1CC[C@H](NC(=O)C2CC2)[C@H](O)C1 1099607068 HRJSBIAYBISJES-UONOGXRCSA-N 322.409 -0.290 30 20 DBED N#Cc1ccccc1CN1CC[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 1099757452 FTLZJLUOQGIZLC-KGLIPLIRSA-N 316.361 -0.515 30 20 DBED C=C(Cl)CN1CC[C@@H](NC(=O)CNC(=O)NC)[C@@H](O)C1 1099858577 NMXCPPCGCSGOJW-ZJUUUORDSA-N 304.778 -0.781 30 20 DBED CN(CCNC(=O)CN1CCOCC1)c1cncc(C#N)n1 1100026360 QFLPRYVRRSGMFO-UHFFFAOYSA-N 304.354 -0.767 30 20 DBED N#CCN1CC[C@@H](NC(=O)COCc2ccncc2)[C@H](O)C1 1100053971 SIKGZZWOBMIDSV-ZIAGYGMSSA-N 304.350 -0.327 30 20 DBED CN(CCNC(=O)[C@@H]1CCCS1(=O)=O)c1cnc(C#N)cn1 1100135565 WQXVLMIMPVYCTJ-NSHDSACASA-N 323.378 -0.522 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CCc2cn(C)nn2)[C@@H](O)C1 1100147664 TVRKGMXISXPVBK-KGLIPLIRSA-N 305.382 -0.678 30 20 DBED C=CCOCC(=O)NCC1CC(NCCS(C)(=O)=O)C1 1100186970 SSNNVJSWMJGNAI-UHFFFAOYSA-N 304.412 -0.282 30 20 DBED CCN(CCNC(=O)C[C@H]1CCNC1=O)c1cncc(C#N)n1 1100635671 ZUSFTNSVDKMAPX-LLVKDONJSA-N 316.365 -0.183 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(c2ccc(C#N)nn2)CCO1 1104297703 BZBSZBAKFQVINI-ZDUSSCGKSA-N 317.349 -0.128 30 20 DBED CN(C)CCC(=O)NC[C@@H]1CN(c2cnc(C#N)cn2)CCO1 1104345925 AFQDLDWABWNQDF-CYBMUJFWSA-N 318.381 -0.379 30 20 DBED CC(C)[C@@H](CNC(=O)Cn1cnnn1)N=c1cc[nH]c(C#N)n1 1105105731 CITDVSHCVLHOEB-SNVBAGLBSA-N 315.341 -0.990 30 20 DBED C#CCNC(=O)CC(=O)N(C)CCN(C)c1cncc(C#N)n1 1105369345 YRXMYYSAWFCLGP-UHFFFAOYSA-N 314.349 -0.618 30 20 DBED CN(CCN(C)c1nccnc1C#N)C(=O)c1nnn(C)n1 1105534786 DNKWVUBURJRNSV-UHFFFAOYSA-N 301.314 -0.920 30 20 DBED Cc1cc(=NC[C@@H](O)CNC(=O)COCC2CC2)c(C#N)c[nH]1 1105719005 WBPPNNFQOKGSBB-CQSZACIVSA-N 318.377 -0.001 30 20 DBED CN1CCC[C@H]1C(=O)NC[C@H](O)CNc1cncc(C#N)n1 1105753958 CHVVYSWYCFOACG-NEPJUHHUSA-N 304.354 -0.669 30 20 DBED COC1(CC(=O)NC[C@H](O)CN=c2cc[nH]c(C#N)n2)CCC1 1105795434 ADQHRROBKBCTQX-LLVKDONJSA-N 319.365 -0.382 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H](O)CNC(=O)c1ccnc(O)c1 1105819284 XELWDNJANHPEAY-GFCCVEGCSA-N 313.317 -0.321 30 20 DBED CC[C@@H](C(=O)NC[C@H](O)CN=c1cc[nH]cc1C#N)N(C)C 1105926384 UERMGFPBAVLZAS-OCCSQVGLSA-N 305.382 -0.396 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H](O)CNc1nc(C)cc(OC)n1 1105970602 KHSIEVSPDBAFOZ-RYUDHWBXSA-N 322.365 -0.279 30 20 DBED N#Cc1cccnc1NC[C@@H](O)CNC(=O)CO[C@H]1CCOC1 1105973535 YTTCRTCWKJMTRK-STQMWFEESA-N 320.349 -0.352 30 20 DBED Cc1cnn(C)c1C(=O)NC[C@@H](O)CNc1nccnc1C#N 1106059242 FLWCWWDZXJTBHI-JTQLQIEISA-N 315.337 -0.407 30 20 DBED C#CCOCCC(=O)N1C[C@@H](C)[C@H](CNCC(=O)N2CCC2)C1 1106114600 DYCJGAKOOKAZID-HUUCEWRRSA-N 321.421 -0.057 30 20 DBED CCc1n[nH]cc1C(=O)NC[C@H](O)CNc1ccc(C#N)nn1 1106163162 MLNWXRZHBRLISK-SNVBAGLBSA-N 315.337 -0.163 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)[C@H]2CCC(=O)NC2)nc1 1106170385 RCGICYOEPOGGHA-NWDGAFQWSA-N 317.349 -0.632 30 20 DBED CC(=O)N(C)CC(=O)NC/C=C/CN=c1cc[nH]cc1C#N 1107039014 INCTZNVFMABCKS-ONEGZZNKSA-N 301.350 -0.062 30 20 DBED C#CCCN1CCO[C@@](C)(CNC(=O)CCc2nc[nH]n2)C1 1107854935 PKLWSJFCNCBXOJ-HNNXBMFYSA-N 305.382 -0.032 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 1108216044 QAQONLSXAOUQAE-ZENOOKHLSA-N 307.394 -0.449 30 20 DBED CC#CCN1CCO[C@](C)(CNC(=O)c2ccc(=O)n(C)n2)C1 1108382925 QWTMVPUTMFHAKY-MRXNPFEDSA-N 318.377 -0.376 30 20 DBED C=CCNC(=O)CN1CC(N2C[C@H](NC(=O)CCC)CC2=O)C1 1108496657 POKWSENNWUPRTM-GFCCVEGCSA-N 322.409 -0.510 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)[C@@H](CC)N(C)C)CC2=O)C1 1108553090 FNRAMINXZHIVCE-TZMCWYRMSA-N 308.426 -0.086 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)CN(C)C(C)C)CC2=O)C1 1108591985 KBDSWPCGRUQSDN-ZDUSSCGKSA-N 308.426 -0.086 30 20 DBED C[C@@H](CN(C)c1ccnc(C#N)n1)NC(=O)[C@H](C)NC(N)=O 1108915361 KHJKXXKTKIXJGZ-IUCAKERBSA-N 305.342 -0.654 30 20 DBED C[C@@H](CN(C)c1ccnc(C#N)n1)NC(=O)c1c[nH]c(=O)cn1 1109231441 PFIMNPKPTBPLCK-VIFPVBQESA-N 313.321 -0.314 30 20 DBED CN1CCO[C@@H](C(=O)N(C)CCCN=c2cc[nH]c(C#N)n2)C1 1109418726 DDQIFLLQNYIKKG-GFCCVEGCSA-N 318.381 -0.639 30 20 DBED N#Cc1nccnc1NC1(CNC(=O)[C@H]2COCCO2)CC1 1110058403 IXUYDNCQCBHMES-LLVKDONJSA-N 303.322 -0.176 30 20 DBED N#Cc1nccnc1NC1(CNC(=O)Cn2cnnc2O)CC1 1110099051 QTYCDFFRAHGVAS-UHFFFAOYSA-N 314.309 -0.594 30 20 DBED N#Cc1nccc(N2CC[C@](O)(CNC(=O)c3cc[nH]n3)C2)n1 1111031994 QBCPZCOTRMUKFX-AWEZNQCLSA-N 313.321 -0.557 30 20 DBED CNC(=O)CC(=O)N1C[C@H](C)[C@H](CNc2ccc(C#N)nn2)C1 1111243946 REUKRLVCEVTPJX-WDEREUQCSA-N 316.365 -0.009 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCC[C@]2(NC(=O)c2cnn[nH]2)C1 1111795967 NPFUUWMIGJUEMH-NHYWBVRUSA-N 316.365 -0.862 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1112701196 DKPZHVOBAKIYFS-YPMHNXCESA-N 317.349 -0.536 30 20 DBED COc1ccnc(N2C[C@@H](O)[C@@H](CNC(=O)C#CC3CC3)C2)n1 1112721372 YGSKJAOWKBMGLV-QWHCGFSZSA-N 316.361 -0.188 30 20 DBED C=CCOCCN1C[C@H]2C(NC(=O)CCn3cncn3)[C@@H]2C1 1113878405 JZDABWHACDZKMI-CHWSQXEVSA-N 305.382 -0.083 30 20 DBED C=C(Br)CN1C[C@H]2[C@H](NC(=O)CC(N)=O)[C@H]2C1 1114093743 UPHSVHRWNCRLOC-VROVMSAKSA-N 302.172 -0.183 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)c3nocc3C)[C@@H]2C1 1115073572 BWBOXRCUQDJVIV-GHMZBOCLSA-N 304.350 -0.055 30 20 DBED C[C@@H](CN(C)C(=O)CCNC(N)=O)N=c1cc[nH]cc1C#N 1115727012 AIDIWASHMNSBEN-JTQLQIEISA-N 304.354 -0.308 30 20 DBED C=CCN1CCC(NC(=O)C(=O)N[C@@H]2CC(=O)N(C)C2)CC1 1117288432 MHPWFPOHOZUGMX-GFCCVEGCSA-N 308.382 -0.900 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)NCc1ccc(C)n(C)c1=O 1117544620 OZCRAXCTWMPYRQ-LBPRGKRZSA-N 307.350 -0.373 30 20 DBED C=CCN(C(=O)C(=O)N1CCN(S(C)(=O)=O)CC1)C1CC1 1117915953 PRJXDJRLESWSQZ-UHFFFAOYSA-N 315.395 -0.733 30 20 DBED C#CCN(C)CCCNC(=O)C(=O)Nc1ccnc(COC)n1 1118486061 CSJWJRSQVCHTFE-UHFFFAOYSA-N 319.365 -0.367 30 20 DBED C=CCN1CCC(NC(=O)C(=O)NCCOCCF)CC1 1118746082 ZQPFKJJYSXAOSD-UHFFFAOYSA-N 301.362 -0.145 30 20 DBED C[C@H](CN(C)C(=O)C(C)(C)C(N)=O)N=c1cc[nH]c(C#N)n1 1120200618 QWPLSPRKWVDOPV-SECBINFHSA-N 304.354 -0.460 30 20 DBED CC[C@H](NC(C)=O)C(=O)N(C)C[C@@H](C)N=c1cc[nH]c(C#N)n1 1120685562 LCWDYAKRUNPFHN-PWSUYJOCSA-N 318.381 -0.056 30 20 DBED N#Cc1cnc(N[C@H](CO)CNC(=O)Cn2cccn2)cn1 1121056504 WMAGYDLBRFYRDV-NSHDSACASA-N 301.310 -0.866 30 20 DBED Cc1cc(C(=O)NC[C@H](CO)N=c2cc[nH]c(C#N)n2)cnn1 1121360859 YUTOTZJLQJODPC-LLVKDONJSA-N 313.321 -0.929 30 20 DBED CC(=O)NC(C)(C)C(=O)NC[C@H](CO)Nc1nccnc1C#N 1121776743 FGYCSPLLWAMCPR-SNVBAGLBSA-N 320.353 -0.848 30 20 DBED CN(C[C@H](O)CNc1nccnc1C#N)C(=O)C1=COCCO1 1124071936 HXJDHSGKECZYPY-SNVBAGLBSA-N 319.321 -0.532 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)c1cn[nH]c1 1124179909 LKHIXDVSTWVEAJ-JTQLQIEISA-N 301.310 -0.962 30 20 DBED CN(C[C@@H](O)CNc1ccc2nnnn2n1)C(=O)C#CC1CC1 1124283557 NLFSCHQEJXXMGP-NSHDSACASA-N 315.337 -0.836 30 20 DBED CN(C[C@@H](O)CNc1ncccc1C#N)C(=O)Cn1cncn1 1124341541 NIIDGPLYZLQHDM-LBPRGKRZSA-N 315.337 -0.524 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)[C@@H]1CCCOC1 1124686723 PKXZHPSQRONWRQ-LLVKDONJSA-N 312.370 -0.869 30 20 DBED CSCC(=O)N(C)C[C@@H](O)CN(C)c1cncc(C#N)n1 1124924677 GFFANFSNLOMDOM-NSHDSACASA-N 309.395 -0.033 30 20 DBED C=CCOCCCC(=O)NCCNCCOCCNC(C)=O 1125253104 YLDJZGQCBKSZBI-UHFFFAOYSA-N 315.414 -0.172 30 20 DBED N#CCNC(=O)CNCCNC(=O)[C@@H]1C[C@H]1c1ccncc1 1127648471 QRWKHMFUBFBVGW-QWHCGFSZSA-N 301.350 -0.469 30 20 DBED COCCCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H](C)C#N)C1 1128830394 RLQDQVHHGPQWFI-XQQFMLRXSA-N 306.370 -0.184 30 20 DBED CCO[C@@H](C(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1)C1CC1 1128999037 NONZGFZXKKYKFV-HZSPNIEDSA-N 318.381 -0.042 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H](CC)N(C)C)C1 1129065021 QQIDMJGAAYYTMO-MCIONIFRSA-N 304.398 -0.407 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCNCC(=O)N(C)C1CC1 1129775752 SPCSMAAOIFOVTH-AWEZNQCLSA-N 306.410 -0.589 30 20 DBED C#CCOCCC(=O)N1C[C@H](n2ccnn2)[C@H](NCCOC)C1 1129837292 ANGBODOVFSRAKT-KGLIPLIRSA-N 321.381 -0.694 30 20 DBED C#CCCN[C@@H]1CN(C(=O)CN(CC)CC)C[C@@H]1n1ccnn1 1130047693 NZPKGNJCKXFBCT-CABCVRRESA-N 318.425 -0.015 30 20 DBED CC(C)(C(=O)NCCNCC(=O)NCC#N)c1cccnc1 1130636808 KFETUCCJQASREW-UHFFFAOYSA-N 303.366 -0.295 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)c2cnn(CCF)c2)C1=O 1130664820 RJCXLPVDUOCHEO-ZDUSSCGKSA-N 323.372 -0.041 30 20 DBED CCCC(=O)N1C[C@H]2C[C@@H]3CN(CC(=O)NCC#N)C[C@]2(C1)O3 1131167698 LHGVXITUEZLVEL-XJKCOSOUSA-N 320.393 -0.272 30 20 DBED COC[C@@H](OC)C(=O)N1C[C@@H]2C[C@@H]3CN(CC#N)C[C@]2(C1)O3 1131263419 BEJKSFNTWAAIHD-KYEXWDHISA-N 309.366 -0.527 30 20 DBED CC(C)(COCC(F)F)C(=O)NCCNCC(=O)NCC#N 1131774640 PUPZXEWOOBMFQG-UHFFFAOYSA-N 320.340 -0.360 30 20 DBED C[C@H]1CC[C@H](NC(=O)CCCC(N)=O)CN1CC(=O)NCC#N 1132536542 CDBVKLRWCBZMCA-RYUDHWBXSA-N 323.397 -0.749 30 20 DBED C#CCCN[C@@H](C)C[C@H](C)NC(=O)CNS(=O)(=O)CC 1134499467 DBPHNUUDSUDQOU-RYUDHWBXSA-N 303.428 -0.178 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)c1csnn1)NCC(=O)NCC#N 1135100801 GHHQLWLJFKJQDK-DTWKUNHWSA-N 310.383 -0.336 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)c1cc(CC)nn1C 1135684498 JVFKXYLZXNNLAX-LLVKDONJSA-N 307.398 -0.007 30 20 DBED C=CCNC(=O)CN1CCC2(C1)CN(C(=O)Cn1cccn1)C2 1146985338 HSEFNFVMVCVSMK-UHFFFAOYSA-N 317.393 -0.280 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)[C@@H](C)OCC#C)C2 1147531036 WMLDEQBSKYAZJC-CQSZACIVSA-N 317.389 -0.692 30 20 DBED CC(C)CC(=O)NC[C@@H]1CN(CC(=O)NCC#N)CCCO1 1149103336 DFLXPKHFKGXRGJ-CYBMUJFWSA-N 310.398 -0.121 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)Cc2[nH]cnc2C)C1=O 1149124040 PHWFUIPWHNLERE-GFCCVEGCSA-N 305.382 -0.247 30 20 DBED C=CCC1(C(=O)NCCN[C@@H]2CCC(=O)NC2=O)CCOCC1 1149317791 OCNFMMXJKBAHNU-GFCCVEGCSA-N 323.393 -0.130 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CN(CC(=O)N(C)C2CC2)CCCO1 1149400330 WKTFSWQFGWVSBZ-GXTWGEPZSA-N 322.409 -0.026 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(Cc2nnn(C)n2)CCCO1 1149639170 KYDCQYNZHPKEOE-CYBMUJFWSA-N 320.397 -0.279 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)C[C@@H]2CCC(=O)NC2)C1 1149842465 UXABCGIPYFCBDG-UONOGXRCSA-N 307.394 -0.257 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CN(CC)CCO1 1151756382 LBDVIZHDQHRLIA-CHWSQXEVSA-N 312.414 -0.896 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)CN1CCCC1=O 1151824677 PIWJKBYPTGCAIL-CYBMUJFWSA-N 322.409 -0.815 30 20 DBED C=CCCOCC(=O)NCCNC[C@@H](O)COCCOC 1153085698 HVBUTOSFSWCWEF-CYBMUJFWSA-N 304.387 -0.691 30 20 DBED C=CCO[C@@H](C)C(=O)NCCN[C@H](C)C(=O)NCCCOC 1153160778 UGSGYZWERRATPS-OLZOCXBDSA-N 315.414 -0.176 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)C[C@H]1COC(=O)C1 1156587334 YDGRPPOAWRDFMC-NWDGAFQWSA-N 309.366 -0.827 30 20 DBED C#CCNCCN(CCc1ccccc1)C(=O)[C@@H]1CNC(=O)N1 1162911080 FTJHAUDLEMGKCA-HNNXBMFYSA-N 314.389 -0.038 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)[C@H]1CCN(C)[C@@H](C)C1 1164577792 SKSVTUZAUKTZBC-KKUMJFAQSA-N 322.453 -0.050 30 20 DBED C[C@]1(C(=O)NCCC2(CNCC(=O)NCC#N)CC2)CCOC1 1167532076 GTTTZWMVSXCVKT-HNNXBMFYSA-N 322.409 -0.071 30 20 DBED C#CCNC(=O)CNCCCC[C@@H](C)NC(=O)CN(C)C(C)=O 1169289129 OEYOVPXDPMZNHE-CYBMUJFWSA-N 324.425 -0.521 30 20 DBED C#CCCNCCCNC(=O)c1cn(CC(=O)N(C)C)nn1 1176972215 RARSWUUCBODFRO-UHFFFAOYSA-N 306.370 -0.901 30 20 DBED C=CCC[C@H](C)N[C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 1182693590 XXZFZHKJGUHCSG-NWDGAFQWSA-N 320.397 -0.078 30 20 DBED C[C@@H]1CN(C(=O)C(=O)NCC(F)F)CC[C@@H]1CNCC#N 1184701318 KHHSELJMWXJPGS-NXEZZACHSA-N 302.325 -0.035 30 20 DBED C#CCNC[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)C[C@@H]1C 1185641840 ROBAIPRVFPPYDP-NWDGAFQWSA-N 306.366 -0.754 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)c2ccc(OC)nn2)C1 1186799730 QGBCJRLQSZISIR-LLVKDONJSA-N 319.365 -0.409 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)Cc2n[nH]c(C)n2)C1 1190085269 WGPXKFPWFBLGBG-LBPRGKRZSA-N 320.397 -0.509 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)CCc2nc[nH]n2)C1 1192103558 OQLXOYAPWAFCSS-VXGBXAGGSA-N 309.370 -0.899 30 20 DBED Cc1nc[nH]c1CC(=O)N1CC[C@@H](N(C)CC(=O)NCC#N)C1 1193696888 VTDNUWWISJOPJO-GFCCVEGCSA-N 318.381 -0.567 30 20 DBED C=CCC[C@H](C)N1C[C@@H](O)[C@H](NC(=O)Cn2ncn(C)c2=O)C1 1194264668 DHOCBQIEVFURIQ-YNEHKIRRSA-N 323.397 -0.902 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)Cc2nc[nH]n2)CC1 1197777725 NKDQAMSFSUFXDJ-UHFFFAOYSA-N 306.370 -0.816 30 20 DBED C=CCOCC(=O)N1CCC(NCCN2C(=O)CCC2=O)CC1 1199777869 YCLNLLSQILZNOX-UHFFFAOYSA-N 323.393 -0.081 30 20 DBED C[C@H](C#N)C(=O)N1CCCO[C@H](CNCCS(C)(=O)=O)C1 1200116278 VOIKXMLCZGPQMH-VXGBXAGGSA-N 317.411 -0.602 30 20 DBED C#CCNC[C@H]1CN(C(=O)CN(C)C(=O)C2CC2)CCCO1 1200641891 MWEUSYSEZXRXES-AWEZNQCLSA-N 307.394 -0.305 30 20 DBED C#CCNC[C@H]1CN(C(=O)c2cn(C)ccc2=O)CCCO1 1200945050 LTLPWSKJWGFFBQ-ZDUSSCGKSA-N 303.362 -0.161 30 20 DBED C=CCNC(=O)[C@@H](C)NC1CCN(C(=O)c2nc[nH]n2)CC1 1202992249 ZIYAZERUIFOVCK-SNVBAGLBSA-N 306.370 -0.310 30 20 DBED CS(=O)(=O)NCCC(=O)N[C@H]1C[C@@H](NCC#N)C12CCC2 1202993983 AZXZNWSHKREXMY-MNOVXSKESA-N 314.411 -0.534 30 20 DBED N#CCSCC(=O)N1CCC(CN[C@@H]2CCNC2=O)CC1 1204567371 KSJJNYLAUWBOKS-GFCCVEGCSA-N 310.423 -0.040 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@H](C)NC(C)=O)C1 1207178892 SPDGJXYVGLSJQK-WCQYABFASA-N 310.398 -0.606 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCN(C(=O)CCc2ncc[nH]2)C1 1207923889 FZIXOSFWSONRTH-GFCCVEGCSA-N 318.381 -0.437 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)Cc2nonc2C)C1 1210411689 IEYSUPIDAVVIDA-GFCCVEGCSA-N 321.381 -0.197 30 20 DBED COCC#CCN1C[C@@H](NC(=O)c2ccc(=O)n(C)n2)[C@H](C)C1 1210816295 PXRNSTWWLCERIT-TZMCWYRMSA-N 318.377 -0.520 30 20 DBED C#CCCCC(=O)N[C@@H]1CN([C@H](C)C(=O)NC(N)=O)C[C@H]1OC 1212184989 LAKAFDXQDHDUIZ-IJLUTSLNSA-N 324.381 -0.811 30 20 DBED CC#CCN1C[C@@H](NC(=O)COCc2ccnn2C)[C@H](OC)C1 1212450987 ISSZIFYJQDAEHQ-HUUCEWRRSA-N 320.393 -0.225 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)C(F)F 1217153039 XTERZHWZSLNLFK-VHSXEESVSA-N 303.309 -0.535 30 20 DBED CCn1nncc1CN1C[C@H](O)[C@H](NC(=O)CSCC#N)C1 1219219824 OPYPIRLSWJGNBN-NEPJUHHUSA-N 324.410 -0.784 30 20 DBED C=CCCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2cnn(C)n2)C[C@@H]1O 1219324204 JFVRNARJCBMVHK-YUTCNCBUSA-N 323.397 -0.542 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)COc2c(C)occc2=O)C1 1219987507 RNXLXUUNHJRINE-YPMHNXCESA-N 308.334 -0.326 30 20 DBED CC#CCN1CC[C@@H]2CN(C(=O)[C@@H](C)NC(=O)COC)[C@@H]2C1 1221570076 UDAVHNWITYKIOB-MGPQQGTHSA-N 307.394 -0.307 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)[C@@H]2C[C@H]3C=C[C@H]2O3)CC1 1228055301 ZIEVKLVBLJXQSX-RBSFLKMASA-N 317.389 -0.340 30 20 DBED COCC#CCN1CCC(NC(=O)[C@]2(C)CNC(=O)C2)CC1 1228403546 ZYHDLLUPCPQHAN-INIZCTEOSA-N 307.394 -0.257 30 20 DBED Cc1cc(C(=O)N(C)C[C@@H]2CCN2CC(=O)NCC#N)n(C)n1 1230907147 JRUCULRFBVURDC-LBPRGKRZSA-N 318.381 -0.485 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)[C@@H]1CCCN1C 1231217198 PCZGCOOZHIHFKI-KBPBESRZSA-N 306.410 -0.637 30 20 DBED CC(C)OC(=O)CCCNC(=O)C(=O)N1CCO[C@H](C#N)C1 1261113432 WRDJCVJBSFJMIM-LLVKDONJSA-N 311.338 -0.415 30 20 DBED C=CCOCCNC(=O)C(=O)N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1261582541 VWNPVKXJZWJWOM-WDEREUQCSA-N 320.411 -0.415 30 20 DBED Cc1nc(C)c(C(=O)N[C@H]2CCN(CC(=O)NCC#N)C2)o1 1267720890 GEGXXUYKLIKXMV-NSHDSACASA-N 305.338 -0.265 30 20 DBED CN(CC(=O)NC1(C#N)CCOCC1)c1ncnc2[nH]cnc12 1321867425 MONTWFBJVWVPON-UHFFFAOYSA-N 315.337 -0.022 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)NCCNc1ccc(C#N)cn1 1323526957 BMVIXYUBRNNNDY-LBPRGKRZSA-N 317.349 -0.201 30 20 DBED C#CCOCCNC(=O)C(=O)NCCC(=O)NC1CCCCC1 1323699128 IUVQJXQDSPAEKU-UHFFFAOYSA-N 323.393 -0.292 30 20 DBED N#CCC1(CNC(=O)C(=O)N[C@H]2CCCS(=O)(=O)C2)CC1 1324169451 YLCGVMYLXQROMM-JTQLQIEISA-N 313.379 -0.510 30 20 DBED CC#CCCNC(=O)C(=O)Nc1ccn(CC(=O)N(C)C)n1 1324370137 QPUBEEQRIIIHJY-UHFFFAOYSA-N 305.338 -0.561 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCC[C@H](C2(C)OCCO2)C1 1324878392 NNIPNNAIVTTXSK-ZDUSSCGKSA-N 324.377 -0.246 30 20 DBED CCN(CCC#N)C(=O)C(=O)Nc1cnn(CC(=O)N(C)C)c1 1326033138 VNHKTMCQZNMOSV-UHFFFAOYSA-N 320.353 -0.328 30 20 DBED C#CC1CCN(C(=O)C(=O)N(CCN(C)C)CCN(C)C)CC1 1326250234 SVHAXBXJRFVWGE-UHFFFAOYSA-N 322.453 -0.190 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)N2C[C@@H]3[C@@H](C2)[C@H]2C=C[C@H]3O2)C1 1326269828 XQZFWIAZINDKQR-ZPFNRVMVSA-N 317.345 -0.725 30 20 DBED C#CCOCCNC(=O)C(=O)NCc1ccc(OC)c(O)c1 1326792549 LLXZPIJHIFUGLF-UHFFFAOYSA-N 306.318 -0.217 30 20 DBED C#CC[C@H](NC(=O)c1cn(C)c2c(cnn2C)c1=O)C(=O)OC 1326820608 BCUXYWKCUKHEPM-NSHDSACASA-N 316.317 -0.433 30 20 DBED C[C@H](NC(=O)C(=O)N1CC[C@@](O)(CC#N)C1)C(C)(C)CN(C)C 1326893447 BQZCAPBOBWWTAS-LRDDRELGSA-N 324.425 -0.044 30 20 DBED CNS(=O)(=O)CCNC(=O)C(=O)Nc1sccc1C#N 1327833995 IZJYUNXYEALIBX-UHFFFAOYSA-N 316.364 -0.776 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N(CC)C[C@@H]2CCOC2)nn1 1332057949 DXYPCKUBUPVPKO-LBPRGKRZSA-N 321.381 -0.035 30 20 DBED N#CCNC(=O)CNC(=O)N1CCC[C@H](C(=O)NC2CC2)C1 1342600483 KIECUKQFFVZVBH-JTQLQIEISA-N 307.354 -0.674 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CCC[C@H](CNC(C)=O)C1 1343079203 GULRTOLGGUEGGD-CHWSQXEVSA-N 311.382 -0.322 30 20 DBED C#C[C@H](CCC)NC(=O)C(=O)Nc1cnn(CC(=O)N(C)C)c1 1343600584 BNBCSTBUTUXKFK-LLVKDONJSA-N 319.365 -0.172 30 20 DBED C=CC[C@@H]1NC(=O)N(CCNS(=O)(=O)NC(C)C)C1=O 1343713449 ULNHFUJSAZXIRR-VIFPVBQESA-N 304.372 -0.685 30 20 DBED CCOCCOC1CN(C(=O)C(=O)N2CC[C@](F)(C#N)C2)C1 1344977831 MAWVVDVASGOFRA-AWEZNQCLSA-N 313.329 -0.286 30 20 DBED COCCN(CC(F)F)C(=O)C(=O)N1CC[C@](O)(CC#N)C1 1349335675 HNXKUFWZDIXKEY-CYBMUJFWSA-N 319.308 -0.396 30 20 DBED Cc1nsc(N(C)C(=O)c2cn(C)c(=O)n(C)c2=O)c1C#N 1361721742 GYPCSXGDUPJVFH-UHFFFAOYSA-N 319.346 -0.003 30 20 DBED COC(=O)[C@@H]1C[C@H](O)CN(S(=O)(=O)CC(C)(C)C#N)C1 1364016534 VPTRPAMEKWWANJ-ZJUUUORDSA-N 304.368 -0.278 30 20 DBED C[C@@H]1CN(c2nccnc2C#N)CCN1c1cc(C(N)=O)ncn1 1364166304 CUZWLVYEVXGXTM-SNVBAGLBSA-N 324.348 -0.048 30 20 DBED CS(=O)(=O)c1cnn(CC(=O)N(CCC#N)CCC#N)c1 1364311973 VEVWIBBHGLJBOF-UHFFFAOYSA-N 309.351 -0.057 30 20 DBED N#CCCN1CCN(C(=O)c2ccc(S(N)(=O)=O)o2)CC1 1364496159 CMNSKICSZYSNII-UHFFFAOYSA-N 312.351 -0.402 30 20 DBED CCCN(CCNC(=O)[C@@H]1CN(C)CCO1)C(=O)[C@@H](C)C#N 1374111218 YCINTHWBMLSFRL-STQMWFEESA-N 310.398 -0.169 30 20 DBED CC(=O)N[C@@H](C)C(=O)N1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 1385248252 TXFLOAMQEAWSTK-JTQLQIEISA-N 317.349 -0.305 30 20 DBED Cc1cc(C(=O)N2CCN(CCNC(=O)[C@H](C)C#N)CC2)n[nH]1 1396890952 WNIOUZZCNDVGQQ-LLVKDONJSA-N 318.381 -0.248 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)CCc1cscn1 1399873048 ZERPKIFBINFKCT-KOLCDFICSA-N 310.379 -0.171 30 20 DBED C=C(Cl)CN1CC[C@@H](NC(=O)CNS(=O)(=O)N(C)C)C1 1400669731 MJMIVYHJZYOWFU-SNVBAGLBSA-N 324.834 -0.675 30 20 DBED N#Cc1cn(CC(=O)N2CCO[C@H]2C(F)(F)F)c(=O)nc1O 1413193984 MOPGKNVDJLSAIV-VIFPVBQESA-N 318.211 -0.432 30 20 DBED C[C@H](C#N)C(=O)NC[C@](C)(NC(=O)C1(NC(N)=O)CC1)C1CC1 1416347646 MHBVYIPZXMQJQY-OTYXRUKQSA-N 321.381 -0.252 30 20 DBED C[C@H](O)[C@@H]1CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)C1 1446736666 SCSNJNFWOCCNRY-VHSXEESVSA-N 306.322 -0.560 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CCCN(C(=O)C2(NC(N)=O)CC2)C1 1450183973 XSHWEGFVHVQRSX-ZJUUUORDSA-N 307.354 -0.546 30 20 DBED CC(C)n1nccc1C(=O)NC[C@@H](O)CNC(=O)[C@H](C)C#N 1452360486 UMEMUMPODHBFAL-MNOVXSKESA-N 307.354 -0.169 30 20 DBED Cc1nc(CC(=O)N2CC[C@H](N(C)C(=O)[C@@H](C)C#N)C2)n[nH]1 1453650041 ACPFZAOPXLKLEY-ONGXEEELSA-N 304.354 -0.125 30 20 DBED Cc1cc(C(=O)NCCn2cc(C#N)c(O)nc2=O)c(C)nn1 1453842671 MXGDQPIFYUYXHW-UHFFFAOYSA-N 314.305 -0.343 30 20 DBED C[C@H](C#N)C(=O)NC[C@]1(C)CCN(C(=O)c2c[nH]c(=O)cn2)C1 1453978707 VIQGTOKDGLXQQQ-BMIGLBTASA-N 317.349 -0.102 30 20 DBED COC(=O)[C@@H](CNc1[nH]c(=O)n(C)c(=O)c1C#N)CC1CC1 1458472853 RIZANRQQZGDEOG-SECBINFHSA-N 306.322 -0.054 30 20 DBED CCOC(=O)[C@@H](C)[C@@H](C)NC(=O)Cn1cc(C#N)c(O)nc1=O 1466367690 HFHPLIJCJVAUKV-DTWKUNHWSA-N 322.321 -0.476 30 20 DBED C#CCN(C(=O)C(=O)N1CC[C@@](COC)(C(=O)O)C1)C(C)C 1588395545 HWWMJXOIWVCOAR-OAHLLOKOSA-N 310.350 -0.194 30 20 DBED C#CC[C@H](NC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1)C(=O)O 1588406926 BUNVTHBSZJBKNK-AGIUHOORSA-N 310.350 -0.541 30 20 DBED C=CCOC[C@@H](NC(=O)[C@H](c1cncn1C)N(C)C)C(=O)O 1588855368 FNPQIHCWOAZDRE-PWSUYJOCSA-N 310.354 -0.205 30 20 DBED N#Cc1cn(CC(=O)O)c(=O)n(CC[C@@H]2CCCCO2)c1=O 1594633083 MKOSJBJWJCDYDJ-NSHDSACASA-N 307.306 -0.075 30 20 DBED N#Cc1ccc(S(=O)(=O)N[C@@H]2COC[C@H]2O)c(C(=O)O)c1 1601113183 KDQBWZFTNJYPCJ-NXEZZACHSA-N 312.303 -0.706 30 20 DBED CCn1cc(-c2nn[nH]n2)c(=O)n(CCOCCC#N)c1=O 1604600674 DNIAYOBKLYUEBV-UHFFFAOYSA-N 305.298 -0.860 30 20 DBED COC[C@H](NC(=O)CCc1c(C)nn(CCC#N)c1C)C(N)=O 1645635421 BBRCCXJTJKHQPN-ZDUSSCGKSA-N 321.381 -0.037 30 20 DBED COCC#CCN1CCC[C@H](NC(=O)c2c[nH]c(C(N)=O)c2)C1 1714924493 JKAOKHUBYRNKPK-ZDUSSCGKSA-N 318.377 -0.042 30 20 DBED C=C(C)CN1CCC[C@@H](CNC(=O)C[C@@H]2NC(=O)NC2=O)C1 1752783578 KOLXWORYVLUJDW-RYUDHWBXSA-N 308.382 -0.011 30 20 DBED CC#CCNC[C@H]1CCN(C(=O)CC[C@H]2NC(=O)NC2=O)C1 1752971904 IJAWRMMAWSWTDW-VXGBXAGGSA-N 306.366 -0.564 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(Cc2nncn2C)C1 1753124763 MHSVPPWFEYXVAZ-OLZOCXBDSA-N 305.382 -0.209 30 20 DBED C=CCNC(=O)CN1CC[C@@H](CNC(=O)Cn2nccc2C)C1 1753135818 POIWBJBKNURVKV-AWEZNQCLSA-N 319.409 -0.068 30 20 DBED N#CCNC(=O)CN(CCNC(=O)Cc1cscn1)C1CC1 1753160930 GMJFICQETYGSGG-UHFFFAOYSA-N 321.406 -0.094 30 20 DBED C#CCN1CCC(C(=O)NCCN(C2CC2)[C@@H](C)C(N)=O)CC1 1753165209 QKGKZGSGLCKEOE-ZDUSSCGKSA-N 320.437 -0.214 30 20 DBED C#CCOCCC(=O)NCC1CN(C[C@@H]2CCc3ncnn32)C1 1753403008 JOTPQMQHZZOPQX-AWEZNQCLSA-N 317.393 -0.147 30 20 DBED C=CCNC(=O)CNC[C@H](C)CNC(=O)[C@@]1(C)CCNC1=O 1753630155 KYXCFZGZCLTOBA-NHYWBVRUSA-N 310.398 -0.843 30 20 DBED C[C@H](CNCC(=O)NCC#N)NC(=O)c1cnn2cc[nH]c12 1754249907 BMNLWZVHPQUQNJ-SECBINFHSA-N 303.326 -0.990 30 20 DBED C#CCN(C(=O)CC(N)=O)C1CCN(Cc2nccn2C)CC1 1754634876 AESHCGWLOVXHMG-UHFFFAOYSA-N 317.393 -0.278 30 20 DBED N#CCNC[C@@H](NC(=O)C[C@H]1CC(=O)NC1=O)C1CCCC1 1754656711 UUUMQXSKDAVMJK-NWDGAFQWSA-N 306.366 -0.173 30 20 DBED COCC#CCN1CCC[C@](CO)(NC(=O)c2cncnc2)C1 1754854694 XVJYRMMODAGZCO-INIZCTEOSA-N 318.377 -0.317 30 20 DBED C#CCNC(=O)CN1CCOC[C@H]1CNC(=O)[C@@H]1CC1(C)C 1754965661 NRTLFUDBUOFQJR-OLZOCXBDSA-N 307.394 -0.401 30 20 DBED N#Cc1ccc(F)cc1CN1CCOC[C@H]1CNC(=O)C(N)=O 1754970961 DJXCWOCFQCJYBP-CYBMUJFWSA-N 320.324 -0.500 30 20 DBED C=CCCN1CCOC[C@H]1CNC(=O)C[C@H]1CC(=O)NC1=O 1754973678 DCJHPNBAJPECGG-NWDGAFQWSA-N 309.366 -0.568 30 20 DBED C=CCN(C)CCCN(C)C(=O)CN1CCCS1(=O)=O 1755037891 DICSPHUUPJBOPF-UHFFFAOYSA-N 303.428 -0.012 30 20 DBED CC#CCN[C@]1(CO)CCCN(C(=O)CCC(=O)NCC)C1 1755082684 ZXAHZXYOHFXHDO-MRXNPFEDSA-N 309.410 -0.131 30 20 DBED C=CCOCCNCC1(NC(=O)c2cnnn2C)CCOCC1 1755094596 CNKCMIXRVJCKHF-UHFFFAOYSA-N 323.397 -0.114 30 20 DBED COCC#CCN(C)[C@H](C)CNC(=O)CCS(C)(=O)=O 1755305483 QBAXBHRAVHWLEG-GFCCVEGCSA-N 304.412 -0.493 30 20 DBED C#CCCCC(=O)NCC1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]12 1755420086 JOLCSCBFHZBZCR-KBPBESRZSA-N 302.378 -0.276 30 20 DBED C#CCO[C@H](C)C(=O)N(C)[C@H](CNCc1nc(O)n[nH]1)C1CC1 1755571578 OJQVFLIFDQGGKL-ZYHUDNBSSA-N 321.381 -0.125 30 20 DBED C#CCN[C@H]1CCN(C(=O)CS(=O)(=O)CCOC)[C@@H]1C 1755656782 UCPJWAKYFNEJJV-NEPJUHHUSA-N 302.396 -0.740 30 20 DBED C#CCN1CC[C@]2(NC(=O)CCNC(=O)COC)CCC[C@@H]12 1755702719 RKVSNCPGXYTSKI-CZUORRHYSA-N 307.394 -0.115 30 20 DBED CC(C)C#CC(=O)NC[C@H]1C[C@H](NC(=O)CCNC(N)=O)C1 1756250883 KHTAVLZTLYIYCT-HAQNSBGRSA-N 308.382 -0.285 30 20 DBED O=C(C#CC1CC1)N[C@@H](CO)CNC(=O)CC1CCOCC1 1756509003 GUJSEYOYHYYNPC-CQSZACIVSA-N 308.378 -0.190 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H](CO)CNC(=O)c1ccc(C#N)[nH]1 1756513234 CRLVMNJVZDDTHZ-PWSUYJOCSA-N 318.333 -0.868 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)[C@@H]1C[C@H]1C 1756530072 NJAKGXCVGDXDGH-RQJABVFESA-N 307.394 -0.667 30 20 DBED C=CCOCC(=O)NC[C@H](O)CN(C)C(=O)c1cnc(C)[nH]1 1756656702 RXOUWVLVCLMETP-NSHDSACASA-N 310.354 -0.530 30 20 DBED C=C[C@@](C)(O)CC(=O)N(C)C[C@H](O)CNC(=O)Cc1ccc[nH]1 1756660640 KHVIBGKMVFQWEK-CZUORRHYSA-N 323.393 -0.180 30 20 DBED C=CCCCC(=O)N[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1OC 1757145400 GRRNGPPYCHSKTO-VXGBXAGGSA-N 322.369 -0.629 30 20 DBED C=C(C)C[C@@H](C)C(=O)N1C[C@H](O)[C@H](NC(=O)c2ncn(C)n2)C1 1757170113 JITGRCHVOYXMCQ-UTUOFQBUSA-N 321.381 -0.281 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](NC(=O)CC2CC2)[C@@H](O)C1 1757558779 GNHNLUQYGLDQEH-KGLIPLIRSA-N 308.378 -0.096 30 20 DBED COC(=O)Cn1cc(C(=O)/C=C\c2cn(CC(=O)O)nn2)nn1 1777109836 UQWWSGDXVICBPP-IHWYPQMZSA-N 320.265 -0.977 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)CCc1cnc[nH]1)CCO2 1783048018 NSFGQEIHIVUUHP-INIZCTEOSA-N 316.361 -0.195 30 20 DBED C=CC[C@H](C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](N)CN)CCO2 1783112534 RCONFRRSNKIVNP-XEZPLFJOSA-N 324.425 -0.686 30 20 DBED N#CCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1C[C@H](O)CN1)C2 1795857939 BOAQZGBBKHJFME-NDKCEZKHSA-N 320.393 -0.349 30 20 DBED NCC(=O)N[C@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825665104 UYBMKBRGNCSFAZ-ZETCQYMHSA-N 322.346 -0.898 30 20 DBED C#CC(=O)N1CCC([C@H]2CCCCN2C(=O)CNC(N)=O)CC1 1832940456 NVDNJSZJJQLSDX-CYBMUJFWSA-N 320.393 -0.092 30 20 DBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCOC)C2)C1 1839807086 SNCCRIFVRCFNBW-HNNXBMFYSA-N 310.350 -0.888 30 20 DBED CCOC(=O)N[C@@H](O)C(=O)N1CC2(CCCN2C(=O)CC#N)C1 1842622454 OFSQUTIECONVDN-NSHDSACASA-N 324.337 -0.832 30 20 DBED CC(C)[C@@H](O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C#CC(=O)O 1847633760 DBAFAEACTLAWRB-COPLHBTASA-N 308.334 -0.707 30 20 DBED CC(C)(C#N)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 77896164 PUHCSXMLKOPETB-UHFFFAOYSA-N 308.382 -0.461 30 20 DBED C#CCCCNS(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C 173788947 IZQRPELCISZYCH-UHFFFAOYSA-N 322.346 -0.687 30 20 DBED C#CCN/C(=N/CC)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 261844468 XAYNQNXRWPVUHN-OAHLLOKOSA-N 305.382 -0.105 30 20 DBED N#C[C@@H]1CN(C(=O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)CCO1 264521435 XDJJWUPKUGOCEI-UTUOFQBUSA-N 305.334 -0.087 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1CCO[C@H](CNC(C)=O)C1 265506075 YTPDGDQFDDWNJS-CMPLNLGQSA-N 312.370 -0.776 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N[C@@H]1CC(=O)N(C(C)C)C1 272956137 KUTBBIQAPLBAKN-LLVKDONJSA-N 317.411 -0.104 30 20 DBED N#Cc1cccc(CS(=O)(=O)NC[C@H]2CC(C(N)=O)=NO2)c1 275935149 WTNZJJOAGVEVDS-LLVKDONJSA-N 322.346 -0.392 30 20 DBED CN1CCN(C)[C@H](C/N=C(/O)c2cnc3c(c2)nnn3C)C1 329438204 MISMDXLHINHATH-LLVKDONJSA-N 303.370 -0.086 30 20 DBED CNC(=O)Cn1cc(N/C(O)=N/CC(=O)N2CCCCC2)cn1 330507641 IDMNCZAYNKSREQ-UHFFFAOYSA-N 322.369 -0.033 30 20 DBED CC(C)[C@@H](O)CN/C(O)=N/CCC(=O)N1CCN(C)CC1 330854802 HKMKYYRUYQWBHN-LBPRGKRZSA-N 300.403 -0.329 30 20 DBED O=C(CN1CCn2ncnc2C1)N/C(O)=N/CC(F)(F)F 331013442 KMQQWOFEZBRUPL-UHFFFAOYSA-N 306.248 -0.314 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)NCCN2CCCCC2)CCO1 336917836 NSOLTOGRXCVSCA-GFCCVEGCSA-N 302.400 -0.469 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CCO[C@@H](CNC(C)=O)C1 337064688 JPODQLVTCQYBPL-LBPRGKRZSA-N 318.399 -0.696 30 20 DBED CCN(C)C[C@@H]1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)C1 337075274 RNMOCMKBZNEPGH-QWHCGFSZSA-N 316.427 -0.271 30 20 DBED C=CCNS(=O)(=O)c1cccc(C(=O)NCC#CCO)c1 339187403 ASPSMFMKKCMQKV-UHFFFAOYSA-N 308.359 -0.124 30 20 DBED Cc1cc(CNS(=O)(=O)N2CCO[C@@H](C#N)C2)nc(C)n1 340743945 WHMAWZNXEZJWLF-LBPRGKRZSA-N 311.367 -0.348 30 20 DBED N#Cc1ncn(CC(=O)N[C@H]2CN(c3ccc(F)cc3)C2=O)n1 344281675 UCDZJIJUNNGGAE-NSHDSACASA-N 314.280 -0.180 30 20 DBED Cc1cc(NC(=O)CN2CCN(C(=O)[C@H](C)C#N)CC2)no1 345598793 YKYOSYGCLRWFRR-SNVBAGLBSA-N 305.338 0.225 30 20 DBED COC(=O)CC[C@@H](NS(=O)(=O)CCCC#N)C(=O)OC 345639108 MCYBOBYNDAYABE-SECBINFHSA-N 306.340 -0.296 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC[C@@]2(C)CCOC2)C1=O 348025139 SZSXRLPBEPXGPF-BLLLJJGKSA-N 323.393 -0.226 30 20 DBED N#Cc1ccnc(NCC2(C(N)=O)CCOCC2)c1[N+](=O)[O-] 348346170 GBPQPMADSMIWBN-UHFFFAOYSA-N 305.294 0.555 30 20 DBED COC(=O)COc1ccc(NC(=O)NCC(=O)NCC#N)cc1 348626937 NHNJAZPJXQPMDD-UHFFFAOYSA-N 320.305 0.000 30 20 DBED C[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CCCC1 349576616 RPZVEUQSWJRISD-LLVKDONJSA-N 323.440 -0.024 30 20 DBED COCCN(CCC#N)S(=O)(=O)N(C)[C@H]1CCC[C@H]1O 352595964 GDQSIJNQDIDPGZ-NWDGAFQWSA-N 305.400 -0.062 30 20 DBED CCn1cc(C#N)c(=O)n(Cc2c([N+](=O)[O-])ncn2C)c1=O 356566261 NBMLBQNBZAMVOI-UHFFFAOYSA-N 304.266 -0.408 30 20 DBED Cc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@]1(O)CCN(C)C1 358121228 LFUGNBJVVJUTHT-INIZCTEOSA-N 316.361 -0.012 30 20 DBED Cc1c(C#N)cccc1NC(=O)C(=O)N1CCO[C@@H](C(N)=O)C1 366523804 RDUSPBHNRFIUDH-GFCCVEGCSA-N 316.317 -0.482 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H](CN)C2)C1=O 428518682 CMNWUXVFGATLRQ-SNVBAGLBSA-N 308.338 -0.840 30 20 DBED C=CCC[C@@H](NC(=O)Cn1ccc(=O)n(C)c1=O)C(=O)OCC 456630254 QDYUAXXGBQRMLH-LLVKDONJSA-N 323.349 -0.439 30 20 DBED C[C@H]1OC(=O)N[C@H]1C(=O)OCc1cc(O)n2ncc(C#N)c2n1 497255617 ZYZPKLXBMAUQOF-LHLIQPBNSA-N 317.261 -0.153 30 20 DBED CN(C)C(=O)CNC(=O)N1CCN(c2cnccc2C#N)CC1 574817026 IATPYSZKIVIBPZ-UHFFFAOYSA-N 316.365 -0.127 30 20 DBED N#CCNC(=O)CNC(=O)N[C@@H]1CC[C@@](O)(C(F)(F)F)C1 589931167 WLTQYQRBRJNOHV-XCBNKYQSSA-N 308.260 -0.229 30 20 DBED COCCn1cc(N2C[C@H](C(=O)N3CC(C#N)C3)CC2=O)cn1 590766217 MNFRSEBXIDDEPV-GFCCVEGCSA-N 317.349 -0.136 30 20 DBED COC(=O)[C@@H]1C[C@H](O)CN(S(=O)(=O)CC2(C#N)CC2)C1 592110030 AMGFGJBYWAVBHJ-ZJUUUORDSA-N 302.352 -0.524 30 20 DBED CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1ccc(C#N)c(O)c1 598029818 SPLNQDFZQYWYQX-JQWIXIFHSA-N 310.331 -0.194 30 20 DBED C=CCNC(=O)CNS(=O)(=O)c1cc(C(=O)OC)no1 599270833 AIKREVMCBCAHTD-UHFFFAOYSA-N 303.296 -0.958 30 20 DBED N#Cc1ccc(S(=O)(=O)CCNCCN2CC[C@H](O)C2)cc1 600761969 UFEGMWYTZAOGPG-AWEZNQCLSA-N 323.418 -0.012 30 20 DBED CN(C)C1(C(=O)NCC#CCNC(=O)C2(N(C)C)CC2)CC1 613394987 KVGOYVAVJYJADT-UHFFFAOYSA-N 306.410 -0.589 30 20 DBED CC#CC[C@H](CO)NC(=O)C(=O)Nc1cncnc1N(C)C 646951972 VCJHTYAKLBFHJB-SNVBAGLBSA-N 305.338 -0.628 30 20 DBED C=CCn1cc(C(=O)N2CCCC[C@@H]2CNC(=O)CCN)nn1 648128422 SCYSGBRFNDYODE-GFCCVEGCSA-N 320.397 -0.076 30 20 DBED C=CCC[C@H](CO)NC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1OC 666097792 IRHNLGWPVOQJOM-MXWKQRLJSA-N 306.384 -0.575 30 20 DBED C#Cc1ccc(C(=O)N(C)CC(=O)N2CCN(C)CC2)cn1 728982592 IELFPIXPSJLFRH-UHFFFAOYSA-N 300.362 -0.091 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCCCC2)c1=O 732411472 QJWPVCGHAHCQMB-UHFFFAOYSA-N 306.366 -0.013 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(C/C=C(/C)C(=O)O)c1=O 736118081 PLUAKOMZIHVRJJ-POHAHGRESA-N 307.306 -0.425 30 20 DBED CN1C(=O)c2ccc(C(=O)N(CC#N)CC(=O)O)cc2C1=O 737505510 LXNBDRTXOWBCGL-UHFFFAOYSA-N 301.258 -0.037 30 20 DBED CNC(=O)CNC(=S)NN=Cc1cc(C(=O)O)ccc1O 737541337 ZBTGKLQTGYONLA-UHFFFAOYSA-N 310.335 -0.366 30 20 DBED COC(=O)CN(CC(=O)OC)Cn1ccc(C)c(C#N)c1=O 758220351 OEDFIIKYXZAJIG-UHFFFAOYSA-N 307.306 -0.366 30 20 DBED CN(C(=O)COC(=O)CCS(=O)(=O)N(C)C)C(C)(C)C#N 772286191 MLFGKMUXHIJXAN-UHFFFAOYSA-N 319.383 -0.428 30 20 DBED Cn1cc([N+](=O)[O-])c(C(=O)OCCn2ncc(C#N)c2N)n1 780356212 UFPOXJGGALBRDQ-UHFFFAOYSA-N 305.254 -0.164 30 20 DBED COC[C@H](NC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)C(N)=O 791671424 MNEWMPMRYCWIEP-OLZOCXBDSA-N 300.318 -0.143 30 20 DBED COCC(=O)N1CCN(Cn2nc(CC#N)n(C)c2=S)CC1 794619626 DAYOGFKPPIURSV-UHFFFAOYSA-N 324.410 -0.235 30 20 DBED C#CCC[C@@H](O)CNC(=O)Nc1ncn(CC(=O)N(C)C)n1 799218000 YSPXACBBUWHIOA-SNVBAGLBSA-N 308.342 -0.738 30 20 DBED N#C[C@H]1CN(S(=O)(=O)NC[C@H](O)c2ccccc2)CCO1 800057139 VJTKAYWZEQIXDI-STQMWFEESA-N 311.363 -0.221 30 20 DBED C#CCCCS(=O)(=O)N1CCNC(=O)[C@@H]1CC(=O)OC 804940260 MSCGKOCILOLILK-JTQLQIEISA-N 302.352 -0.907 30 20 DBED C#CCN1CCN(C(=O)CN2CCOC[C@@H]2CC(=O)OC)CC1 805817895 FPMOZFHZPDLDNO-AWEZNQCLSA-N 323.393 -0.972 30 20 DBED CN1C(=O)CN(C(=O)Cc2cccc(OCC#N)c2)CC1=O 808037307 KSDSZJZZCBDNLI-UHFFFAOYSA-N 301.302 -0.041 30 20 DBED C#CCCS(=O)(=O)NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 808301188 JMAGVOUBGQOAAQ-ZDEQEGDKSA-N 322.386 -0.264 30 20 DBED CON=CC(=O)N1CCN(S(=O)(=O)CCOC(C)C)CC1 809706127 LVIYEEYXZQZZNI-UHFFFAOYSA-N 321.399 -0.482 30 20 DBED COCCC(COC)=NNC(=S)NCCN1CCOCC1 812223037 VONBQZQKEMAOMN-UHFFFAOYSA-N 318.443 -0.178 30 20 DBED C#C[C@@H](C)NC(=O)N1CCN(S(=O)(=O)CCCOC)CC1 820423877 YBIZTYFBMFRKIU-GFCCVEGCSA-N 317.411 -0.298 30 20 DBED Cn1nc2c(cc1=O)CN(C(=O)[C@@](C)(C#N)CC(=O)O)CC2 821314880 BJHPQXXKSLBWSM-CQSZACIVSA-N 304.306 -0.330 30 20 DBED C=C[C@H](O)C(=O)N(C)c1nc(CNC(=O)[C@H](O)C=C)cs1 826839613 SSUUZHARTUDXPY-ZJUUUORDSA-N 311.363 -0.184 30 20 DBED CN(C)S(=O)(=O)c1ccc(C(=O)N[C@@H]2CNC[C@@H]2C#N)o1 834516371 ICLBBXFHAHUUJW-DTWKUNHWSA-N 312.351 -0.629 30 20 DBED C#CCN(C)CCCNC(=O)NCCS(=O)(=O)NCC 836292019 DHPQSFOJRCGKCL-UHFFFAOYSA-N 304.416 -0.820 30 20 DBED C=C[C@H](C)ONC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C 846551761 XDBSKBXJRFQEAH-QMMMGPOBSA-N 306.322 -0.188 30 20 DBED C#CCCCS(=O)(=O)N(CCN(C)C)CC(=O)N(C)C 849452959 XVWSAGCELGYVDI-UHFFFAOYSA-N 303.428 -0.319 30 20 DBED C#CCCN(CCOC)CC(=O)c1c(O)nc(=O)n(CC)c1N 852752520 BGJGPCPOSGHILG-UHFFFAOYSA-N 322.365 -0.295 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)C2(F)CCOCC2)CC1 865157039 ORQVPQAAYRQPKG-UHFFFAOYSA-N 311.357 -0.601 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N1CCN(C(C)=O)C[C@H]1C 875597424 CZIWKJGGOMXGSG-OCCSQVGLSA-N 323.393 -0.390 30 20 DBED C#CCN1CCC[C@@H](NC(=O)NCCCS(C)(=O)=O)C1 884106339 NKGYXSKZMCRWTO-GFCCVEGCSA-N 301.412 -0.182 30 20 DBED C#CCN1CCC[C@H](NC(=O)N2CCCS(=O)(=O)CC2)C1 890369655 YRKBOZFYOPSLBY-ZDUSSCGKSA-N 313.423 -0.086 30 20 DBED C=CCN(C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)C(C)C 914683015 BEIUPRBJMMNSNL-UHFFFAOYSA-N 319.365 -0.143 30 20 DBED C=CCC[C@@H](O)CN1CC(S(=O)(=O)N2CCNCC2)C1 923436810 LQPJFFVLUXKBOW-GFCCVEGCSA-N 303.428 -0.767 30 20 DBED C[C@]1(C(=O)N2CCCN(C(=O)C#CC3CC3)CC2)CCNC1=O 941003589 BCWSVXHHQDLAOD-KRWDZBQOSA-N 317.389 -0.013 30 20 DBED CO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1NC(=O)c1snnc1C 941161632 ZJVQHCHJBUIOCU-SZEHBUNVSA-N 323.378 -0.038 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C2CN(Cc3cncn3C)C2)CC1 941345146 OURCUSLLYDGOTH-CYBMUJFWSA-N 316.409 -0.092 30 20 DBED Cc1nonc1CN1CC(N2CCN(C(=O)[C@H](C)C#N)CC2)C1 941345326 RQPFRTHPHOGKOH-LLVKDONJSA-N 318.381 -0.134 30 20 DBED CN1CC[C@@H](C(=O)N[C@@H]2CCN(C(=O)C#CC3CC3)C2)CC1=O 941415175 GIMKRFXQIFJNPX-ZIAGYGMSSA-N 317.389 -0.015 30 20 DBED C[C@H]1CN(CC#N)CC[C@@H]1NC(=O)CN1CC(=O)N(C)C1=O 944134337 CTJRYVMEJYEJGT-QWRGUYRKSA-N 307.354 -0.769 30 20 DBED N#Cc1cc(C(=O)N2C[C@H]3C[C@H]2[C@@H]3NC(=O)c2cnn[nH]2)c[nH]1 947489028 DVLCULFNUUEPEL-JFUSQASVSA-N 311.305 -0.353 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)[C@H](C)OC 950752786 DLWXTIXEQHOGRL-MJBXVCDLSA-N 307.394 -0.164 30 20 DBED CN1CC[C@H](C(=O)NC[C@@H]2CCN2C(=O)C#CC2CC2)C1=O 951654336 ATEJLXRSSKOXKX-QWHCGFSZSA-N 303.362 -0.405 30 20 DBED CN(C(=O)c1c[nH]c(C#N)c1)C1CN(C(=O)[C@H]2CCNC2=O)C1 954105585 NKMGQZULPREMKD-LBPRGKRZSA-N 315.333 -0.695 30 20 DBED C=CCn1cc(C(=O)N2CC(N(C)C(=O)c3nc[nH]n3)C2)nn1 955016895 IWZWYOWBGKRUJM-UHFFFAOYSA-N 316.325 -0.821 30 20 DBED C#CCCN1C[C@@H](O)[C@H](CNC(=O)c2cn(CC3CC3)nn2)C1 958527253 XOARDUGGKHJYMR-UKRRQHHQSA-N 317.393 -0.266 30 20 DBED CC(C)[C@@H](O)C(=O)N1CCO[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]21 960328815 OWZAIMHHAOXZQM-SQWLQELKSA-N 320.389 -0.145 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)C#CC1CC1 960360557 FTXOHEONPYDHGU-FPMFFAJLSA-N 301.346 -0.002 30 20 DBED O=C(Cc1cncnc1)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 962548580 LCRKBUXZCLFZEO-KGLIPLIRSA-N 314.345 -0.880 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1ncnn1 963116802 YOALSIRIVLPFHF-GRYCIOLGSA-N 317.353 -0.575 30 20 DBED Cc1ccc(C(=O)NC[C@H]2COCCN2C(=O)[C@@H](C)C#N)nn1 964180910 LZQBFNAKXWCQNL-JQWIXIFHSA-N 317.349 -0.098 30 20 DBED C[C@H](C#N)C(=O)N1CCOC2(CN(C(=O)c3ccon3)C2)C1 965471340 JGBDYZRHAVSEMR-SNVBAGLBSA-N 304.306 -0.112 30 20 DBED C=CCN1CC[C@H](N[C@@H]2CCN(C(=O)Cc3cc[nH]n3)C2)C1=O 968224465 REBCRZWBKYKZCS-KGLIPLIRSA-N 317.393 -0.070 30 20 DBED CN(CC#N)[C@H]1CCN(C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 971526017 SRUUHBHTFPHTIG-NEPJUHHUSA-N 316.365 -0.181 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)[C@H](C)n3cncn3)C2)C1 972348798 SIGWTLBUWXUXJX-ZFWWWQNUSA-N 303.366 -0.224 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)CCn3ccnn3)C2)C1 972356371 AZRCCYDVEUWANA-OAHLLOKOSA-N 303.366 -0.395 30 20 DBED C=CCN1CC[C@H](N(C)[C@H]2CCN(C(=O)c3nc[nH]n3)C2)C1=O 972579830 RXDNXTVZPRMCND-RYUDHWBXSA-N 318.381 -0.262 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1[C@@H]2CN(C(=O)CC(N)=O)C[C@@H]21 976598544 UDMRFUPXSFYFOU-KLFGWDPYSA-N 321.377 -0.584 30 20 DBED C=C(C)CN1C[C@@H](NC(=O)CN2CC(=O)NC2=O)C(C)(C)C1 977362955 MIJCKPOPJFFIBH-LLVKDONJSA-N 308.382 -0.059 30 20 DBED CN(C[C@H]1CCN1C(=O)C#CC1CC1)C(=O)[C@@H]1CCNC(=O)C1 977559524 SWMRRIGPXWHMAY-ZIAGYGMSSA-N 317.389 -0.015 30 20 DBED C#CCN1C[C@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)C(C)(C)C1 977583844 GUJDEVHATRQFMT-NSHDSACASA-N 320.393 -0.223 30 20 DBED O=C1NC[C@H](C(=O)NC[C@@H]2CCN(C(=O)C#CC3CC3)C2)N1 982746865 XFJBASKHLJELPC-NWDGAFQWSA-N 304.350 -0.954 30 20 DBED C=CCN1CC[C@]2(NC(=O)Cn3cnc(C(N)=O)n3)CCC[C@H]12 990767141 XHNHRIXRYDCWQY-XHDPSFHLSA-N 318.381 -0.324 30 20 DBED C#Cc1ccc(C(=O)N2CC(NC(=O)[C@H]3COC(=O)N3)C2)nc1 991115265 GRQRESXKUVLSKW-GFCCVEGCSA-N 314.301 -0.888 30 20 DBED C[C@H](C#N)C(=O)N1CC(NC(=O)[C@@H](C2CC2)N2CCOCC2)C1 992641714 JLFMOFCTHLEUTN-BXUZGUMPSA-N 320.393 -0.416 30 20 DBED C[C@@]12CN(C(=O)C#CC3CC3)C[C@@H]1CN(C(=O)CC(N)=O)C2 992700958 MRJUPZBNMHRZNL-WBMJQRKESA-N 303.362 -0.418 30 20 DBED C[C@H](C#N)C(=O)N1CC(OC2CCN(C(=O)CC(N)=O)CC2)C1 994797082 KGHBTLLWMKAWBD-SNVBAGLBSA-N 322.365 -0.760 30 20 DBED C#CCN[C@H]1CN(C(=O)C2CC3(C2)NC(=O)NC3=O)CC1(C)C 996404202 BKZSSYXDJITMLP-CSJGVYOVSA-N 318.377 -0.566 30 20 DBED C#Cc1cncc(C(=O)NC2CN(C(=O)c3cncnc3O)C2)c1 999320715 XSDDOAALGLENBA-UHFFFAOYSA-N 323.312 -0.187 30 20 DBED C=CCN[C@@H]1CCCN(C(=O)C2(n3cnnn3)CCOCC2)C1 1000432992 PWNJLIOYQKPKRL-CYBMUJFWSA-N 320.397 -0.055 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(C(=O)c2ncn(C)n2)CC1 1011091254 XWODJGRCAZKBQE-NEPJUHHUSA-N 319.365 -0.309 30 20 DBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCN(C(=O)C(N)=O)CC1 1011191857 FUBHVZHORSOXOT-RYUDHWBXSA-N 309.366 -0.486 30 20 DBED C[C@H](C#N)C(=O)N1CCC2(CN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)C1 1019445661 DQVBLXMBTPTBKQ-MXWKQRLJSA-N 304.350 -0.672 30 20 DBED C#CCN[C@@H]1CC[C@H]2CN(C(=O)CCN3C(=O)CCC3=O)C[C@@H]21 1026305686 CXUFCYCFEUIJHN-MELADBBJSA-N 317.389 -0.015 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CCN(Cc2nnn(C)n2)C1 1033431100 BFYNGINTEZEFKP-XQQFMLRXSA-N 320.397 -0.166 30 20 DBED C#CCN1CCC(C(=O)N[C@H]2CCCCN(CC(N)=O)C2)CC1 1034537834 FJJMZFCOOAZXSF-HNNXBMFYSA-N 320.437 -0.212 30 20 DBED N#CCN1CCC2(CCN(C(=O)C[C@H]3CC(=O)NC3=O)CC2)C1 1035261196 YBEJSOXVXQJCRX-GFCCVEGCSA-N 318.377 -0.123 30 20 DBED CC#CCN1CCO[C@H](CNC(=O)c2cc(=O)n(C)cn2)C1 1035401345 ZZMXWWLHEYHPAQ-GFCCVEGCSA-N 304.350 -0.766 30 20 DBED C=CCN1CCO[C@H](CNC(=O)c2cnn3c(=O)cc[nH]c23)C1 1035536172 MYKQAJXJEINBSY-LLVKDONJSA-N 317.349 -0.361 30 20 DBED C#CCCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)CN1C(=O)NC(=O)C1(C)C 1037653677 OFQWPHOFTVTKKY-NTZNESFSSA-N 318.377 -0.471 30 20 DBED CC[C@@H]1CN(C(=O)c2cn(C)c(=O)nc2O)CC[C@H]1NCC#N 1037974244 NWTSRFMWZVQJKC-ZYHUDNBSSA-N 319.365 -0.160 30 20 DBED Cn1ccc(C(=O)N2CC[C@](O)(CNC(=O)C#CC3CC3)C2)n1 1039688736 OVEQTODKOBGCBK-INIZCTEOSA-N 316.361 -0.473 30 20 DBED C#CCCCCCC(=O)N1CC[C@@](O)(CNC(=O)C(N)=O)C1 1040749902 CCWJQEVIIJKADV-OAHLLOKOSA-N 309.366 -0.865 30 20 DBED CN1CCC[C@H]1C(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@H]1O 1040945204 PZMBWSXCZGWYLK-VHDGCEQUSA-N 315.377 -0.287 30 20 DBED C#CCN1CCC(C(=O)N2CC(O)(CNC(=O)CCC)C2)CC1 1041188770 JFVUDLMKNMXUON-UHFFFAOYSA-N 321.421 -0.179 30 20 DBED C#CCNC(=O)CC(=O)N1CC(O)(CNC(=O)CC(C)(C)C)C1 1041490434 NRAJDMCNQXRLNV-UHFFFAOYSA-N 323.393 -0.748 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)CCc2cn(C)nn2)C1 1043726498 XUAVZZWUKZCLOC-UHFFFAOYSA-N 321.381 -0.597 30 20 DBED Cn1ccc(C(=O)N[C@@H]2CN(c3ccc(C#N)nn3)C[C@@H]2O)c1 1043906240 AGEHWTFDVUSWOT-OLZOCXBDSA-N 312.333 -0.334 30 20 DBED N#Cc1cnc(N2C[C@H](O)[C@H](NC(=O)Cc3ccoc3)C2)cn1 1043918315 QOZZBELZFNGXGB-OLZOCXBDSA-N 313.317 -0.150 30 20 DBED CCc1cc(C(=O)NCC2(O)CN(C(=O)[C@@H](C)C#N)C2)no1 1044239672 FPTLJJQKUULETE-VIFPVBQESA-N 306.322 -0.300 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)Cn2cccn2)C1 1044478403 GAQBUPGEXLKBRY-UHFFFAOYSA-N 306.366 -0.215 30 20 DBED C#CCN[C@@H]1CCN(C(=O)CN2CC(=O)N(C)C2=O)[C@H](C)C1 1044816108 JBWBGZICMMJCLF-VXGBXAGGSA-N 306.366 -0.517 30 20 DBED Cc1cnn(CC(=O)N2CC(O)(CNC(=O)[C@H](C)C#N)C2)c1 1045540141 DDVLAJYDVNYTHO-LLVKDONJSA-N 305.338 -0.959 30 20 DBED C#Cc1ccc(C(=O)N2CC(O)(CNC(=O)[C@H](C)C#N)C2)cn1 1045545939 FCASIHFSYHEWTO-LLVKDONJSA-N 312.329 -0.474 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCC1(O)CN(C(=O)c2cnco2)C1 1046823537 BWVRFAJMPWZRTM-MNOVXSKESA-N 321.333 -0.431 30 20 DBED C=CCN1C[C@H]2C[C@@H](NC(=O)CN3CC(=O)NC3=O)C[C@H]1C2 1047162404 JSYKLDJASRBRHD-QJPTWQEYSA-N 306.366 -0.307 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C(N)=O)cn2C)C1 1047444049 VIDWNZLDRMCLIO-KBPBESRZSA-N 318.377 -0.736 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3cnc(C)n3C2)C1 1047502708 PQHOWRBHUBWKSK-BPUTZDHNSA-N 316.405 -0.109 30 20 DBED C#CCCCC(=O)N(C)[C@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@@H]1O 1048757579 JEHWDDZNALDMPH-RYUDHWBXSA-N 321.377 -0.915 30 20 DBED C=CCO[C@H](C)C(=O)N(C)[C@H]1CN(C(=O)c2cnon2)C[C@@H]1O 1049011620 XUCKFFIWXRCQIE-USWWRNFRSA-N 324.337 -0.696 30 20 DBED C[C@@H]1[C@@H](NC(=O)c2ncn(C)n2)CCN1c1nccnc1C#N 1050240391 LTLDOBAASHGVBY-ZJUUUORDSA-N 312.337 -0.126 30 20 DBED CC#CCN1CCOC[C@@H]1CNC(=O)[C@H]1CCCN(C(N)=O)C1 1051011107 GYQKVDVYLGLQQG-KBPBESRZSA-N 322.409 -0.383 30 20 DBED C#CCCN1CCOC[C@@H]1CNC(=O)c1ccnc(OC)n1 1051019093 BBYGGGVMECVCCD-LBPRGKRZSA-N 304.350 -0.061 30 20 DBED N#CCN1CCOC[C@@H]1CNC(=O)[C@@H]1CCCc2nn[nH]c21 1051087135 QDKGUXVVODCQQQ-WDEREUQCSA-N 304.354 -0.435 30 20 DBED C#CCCN1CCC[C@@H](NC(=O)CN2CCC(=O)NC2=O)CC1 1052843640 FLIOZXBARWTFCZ-CYBMUJFWSA-N 320.393 -0.078 30 20 DBED C#CCN1CC2(C1)CN(C(=O)CCn1ccccc1=O)CCO2 1053279270 ISYPZAJUAVKMNI-UHFFFAOYSA-N 315.373 -0.215 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)c3cc[n+]([O-])cc3)CO2)C1 1053724259 FEOGHMMSMFBZQC-CQSZACIVSA-N 301.346 -0.084 30 20 DBED C[C@H](O)CN1CC2(C[C@@H](NC(=O)c3cc(C#N)c[nH]3)CO2)C1 1053765911 AHXGAGDOWYWSST-CMPLNLGQSA-N 304.350 -0.160 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)c3nnn(C)c3C)CO2)C1 1053769205 UKYWQCQGQNOSLD-LBPRGKRZSA-N 303.366 -0.280 30 20 DBED N#Cc1cnccc1N1C[C@H]2[C@H](NC(=O)[C@H]3CNC(=O)N3)[C@H]2C1 1056392808 PNFMGMNTWUFXGT-XZUYRWCXSA-N 312.333 -0.815 30 20 DBED N#Cc1cnc(N2C[C@H]3[C@H](NC(=O)[C@@]45COC[C@@H]4C5)[C@H]3C2)cn1 1056451381 RAGNXAHIXZYIJL-VTTVJMOASA-N 311.345 -0.064 30 20 DBED Cn1oc(C(=O)N2CC[C@@H](Nc3nccnc3C#N)C2)cc1=O 1056617797 FSTJCPUUJBMLEN-SECBINFHSA-N 314.305 -0.033 30 20 DBED N#Cc1cccnc1N[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 1056763986 DVCBHZSXSFECFT-MNOVXSKESA-N 300.322 -0.353 30 20 DBED C#Cc1ccc(C(=O)NCCN(CCO)C(=O)[C@H](C)OC)nc1 1057109043 JCYDECQERRNWTR-LBPRGKRZSA-N 319.361 -0.352 30 20 DBED C#CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)CCOCC 1057185513 PCXWRSUXWQUZHY-ZDUSSCGKSA-N 314.382 -0.612 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)c1cncc(F)c1 1057329698 BRJXHERVDBIRRU-SNVBAGLBSA-N 308.313 -0.069 30 20 DBED N#Cc1cnccc1N1CCC(NC(=O)[C@@H]2CNC(=O)N2)CC1 1057933828 DWSPTSSNEZQGDV-LBPRGKRZSA-N 314.349 -0.280 30 20 DBED N#Cc1nccc(N2CC[C@@H](NC(=O)[C@@H]3COCCO3)C2)n1 1058305090 PLXYRODWLFSNFO-MNOVXSKESA-N 303.322 -0.541 30 20 DBED C=C[C@](C)(CC)C(=O)N(CCO)CCNC(=O)c1ncn(C)n1 1058728238 NJIQETJYPLQFIF-OAHLLOKOSA-N 323.397 -0.032 30 20 DBED N#Cc1cnc(N[C@H]2C[C@H](NC(=O)[C@H]3COC(=O)N3)C2)cn1 1059212204 WPVOHKDOBKDQSR-NQMVMOMDSA-N 302.294 -0.484 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)CSCC#N 1061317894 LXHCXOJIUPVFRC-MNOVXSKESA-N 310.379 -0.254 30 20 DBED C=CCOCC(=O)NC[C@H]1COCCN1C(=O)c1[nH]nnc1C 1061420271 XEADEGMEBRIZLO-NSHDSACASA-N 323.353 -0.727 30 20 DBED Cc1nonc1CC(=O)N1CCOC[C@H]1CNC(=O)[C@@H](C)C#N 1061847475 LFUGKELKNXTDSI-GXSJLCMTSA-N 321.337 -0.576 30 20 DBED Cc1nc[nH]c1C(=O)N1CCOC[C@H]1CNC(=O)[C@@H](C)C#N 1061850047 AGZSOKLULCOSOF-GXSJLCMTSA-N 305.338 -0.165 30 20 DBED C=CCOCC(=O)NCC1(NC(=O)C2(NC(N)=O)CC2)CCC1 1062701925 BSRRHFHDOWLBFY-UHFFFAOYSA-N 324.381 -0.455 30 20 DBED C#CCOCCC(=O)NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCC1 1063038473 IBJRBEYKIRCPJE-VXGBXAGGSA-N 323.349 -0.153 30 20 DBED Cc1cc(C#N)nc(N2CC[C@H]3CN(C(=O)C(N)=O)CC[C@@H]32)n1 1064032671 DBOPCJYBWABFRI-JQWIXIFHSA-N 314.349 -0.431 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CN(C(=O)Cc2ccn(C)n2)CCO1 1065138481 PJQINNDDFLUVHJ-WCQYABFASA-N 319.365 -0.534 30 20 DBED CN(C(=O)c1cocn1)[C@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1065577498 TUXCHFKSCYTPMP-RYUDHWBXSA-N 314.305 -0.342 30 20 DBED C#CCOCCC(=O)N(C)CCCN(C)C(=O)Cn1ncnn1 1067427187 FOBGUOIKYRQSJR-UHFFFAOYSA-N 322.369 -0.980 30 20 DBED N#Cc1cncc(N2C[C@@H](O)[C@H](CNC(=O)c3cc[nH]n3)C2)n1 1067651018 FIFDVXFZDCXLGD-BXKDBHETSA-N 313.321 -0.702 30 20 DBED N#Cc1ccc(N2C[C@H](CNC(=O)c3ccnnc3)[C@@H](O)C2)nc1 1067694450 ZWVMGKZGKFZYAL-KBPBESRZSA-N 324.344 -0.030 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC2(C[C@@H](NC(=O)COC)CO2)C1 1068652890 UJTSPMIXCOCEGF-BXUZGUMPSA-N 312.366 -0.554 30 20 DBED C[C@H]1C[C@H](Nc2ccc(C#N)nn2)CN1C(=O)c1nnn(C)n1 1069178373 NLPQUWZBXIVSEM-WPRPVWTQSA-N 313.325 -0.413 30 20 DBED CC1(C)CN(C(=O)CC(N)=O)C[C@H]1N=c1cc[nH]cc1C#N 1069547263 FGCUZFCZQDPYFL-GFCCVEGCSA-N 301.350 -0.101 30 20 DBED C=CCCOCC(=O)NC1(CC)CCN(C(=O)C(N)=O)CC1 1069579121 NZUVDBMHDRQKTR-UHFFFAOYSA-N 311.382 -0.048 30 20 DBED C#CCN[C@@H]1CN(C(=O)C2=CCOCC2)C[C@@H]1n1ccnn1 1070182981 IZBGZIJLBIRBMZ-KGLIPLIRSA-N 301.350 -0.401 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2cnnn2CC)C[C@@H]1n1ccnn1 1070191164 VYFRIPGSYNZKDM-YPMHNXCESA-N 314.353 -0.822 30 20 DBED CCO[C@H]1C[C@H]1C(=O)N1CCC(=O)NCCN(CC#N)CC1 1070940436 GEMMFEPPWURXME-OLZOCXBDSA-N 308.382 -0.415 30 20 DBED Cc1ocnc1C(=O)N1CCC(=O)NCCN(CC#N)CC1 1070945885 DVDGWXZEXYQBIT-UHFFFAOYSA-N 305.338 -0.229 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)Cn2nccc2C)CC1 1071004453 GHGJKEHWSPUSMQ-UHFFFAOYSA-N 317.393 -0.525 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H](C)[C@@H](NC(=O)c2ncc[nH]2)C1 1071935589 DOIPMBCYYPPCHZ-QWRGUYRKSA-N 317.349 -0.874 30 20 DBED C=CCC1(C(=O)N[C@@H]2CN(C(=O)C(N)=O)C[C@H]2C)CCOCC1 1072638553 MDFJFBYNDCCJSS-VXGBXAGGSA-N 323.393 -0.192 30 20 DBED N#CCN1CCC2(C1)CN(C(=O)CCN1C(=O)CCC1=O)C2 1072903049 MAAQVRLKBFEVLY-UHFFFAOYSA-N 304.350 -0.417 30 20 DBED C#CCN1CCC(C(=O)N2CC3(CCN(CC(N)=O)C3)C2)CC1 1073456133 XFRTXNKWPKJNDO-UHFFFAOYSA-N 318.421 -0.649 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(C(=O)c2nc[nH]n2)C[C@H]1C 1073819859 KRDGKWJPUHNELA-GHMZBOCLSA-N 307.354 -0.026 30 20 DBED C#CCCN1CCCO[C@H](CNC(=O)[C@H]2CN(CC)CCO2)C1 1073896632 WPPAEXNVHBUGDD-HZPDHXFCSA-N 323.437 -0.063 30 20 DBED CNC(=O)CC(=O)N[C@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1C 1073909446 HEMHKEGAWQSXCM-AAEUAGOBSA-N 305.378 -0.111 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)Cc3n[nH]c(C)n3)C[C@@H]21 1074238545 PWUCCWKRVDQRFU-QWHCGFSZSA-N 303.366 -0.409 30 20 DBED Cc1nonc1CN1C[C@@H](O)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 1076897568 WQHFFSQLNCMUST-CHWSQXEVSA-N 316.321 -0.447 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2OCCc3ccccc32)C1 1077490149 UXMWXBMFCDJEAX-KFWWJZLASA-N 301.346 -0.015 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2cccc(-n3cncn3)n2)C1 1077907031 UZHWCQXGYGXKKN-CHWSQXEVSA-N 312.333 -0.930 30 20 DBED C#CCN[C@H]1C[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C12CCC2 1078630381 XUUBSIZRCXJPJS-QWRGUYRKSA-N 316.365 -0.973 30 20 DBED Cn1c(O)ncc(C(=O)N[C@@H]2C[C@@H](NCC#N)C23CCC3)c1=O 1078697675 GGPNXDVBBYRJTM-GHMZBOCLSA-N 317.349 -0.360 30 20 DBED C[C@@H]1CN(CCS(C)(=O)=O)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 1079589219 YDCGPIICGBBGKP-ZWNOBZJWSA-N 324.406 -0.019 30 20 DBED C=CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)CNC(C)=O)C1 1079979885 PWUFBDOFDHUMCF-LLVKDONJSA-N 311.382 -0.227 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(N(CC)C(=O)[C@@H]2CCC(=O)N2)C1 1080183819 IBBRCODZQOZSBU-LRDDRELGSA-N 323.393 -0.349 30 20 DBED C=CCCOCC(=O)N1CC(N(CC)C(=O)[C@@H]2CNC(=O)N2)C1 1080386654 RYITYGILQBZNSZ-LBPRGKRZSA-N 324.381 -0.680 30 20 DBED C=CCCOCC(=O)N1C[C@@H](O)[C@H](CNC(=O)COCC)C1 1081223355 MIQMPHJYNMLZCQ-CHWSQXEVSA-N 314.382 -0.449 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)C(=O)NCC2CC2)C[C@@H]1O 1081335740 PDCODHCFMLJVFV-OLZOCXBDSA-N 323.393 -0.586 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](CNC(=O)C2(C(N)=O)CC2)C1 1081721123 GVWQJJVHNAORAZ-GHMZBOCLSA-N 323.393 -0.600 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1ccc2nncn2c1 1083222962 WLWLASALUUUOHR-UONOGXRCSA-N 311.345 -0.112 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)c2cnc(N(C)C)cn2)C1 1083460094 PSCVQIHWRKTGOM-OLZOCXBDSA-N 303.366 -0.659 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)c2ccc(N(C)C)nn2)C1 1083962360 BTZSBFMSJSZQBV-OLZOCXBDSA-N 305.382 -0.106 30 20 DBED COCC(=O)NC[C@@H]1CN(c2ccc(C#N)nn2)CCCO1 1089511882 CQXDHBISQRSISO-GFCCVEGCSA-N 305.338 -0.294 30 20 DBED Cn1nnc(C(=O)N2C[C@H]3CC[C@H]2[C@H]2CN(CC#N)C[C@@H]32)n1 1089846286 MHWWQTGBNCGFJO-RHYQMDGZSA-N 301.354 -0.484 30 20 DBED N#CCN1C[C@H](NC(=O)Cn2nccn2)CC2(CCOCC2)C1 1089939500 SZNFPGUTJKLUEX-CYBMUJFWSA-N 318.381 -0.211 30 20 DBED C=CCN1CC[C@@H](NC(=O)Cc2nnn(C(C)(C)C)n2)[C@@H](O)C1 1090291793 JPYMTUMBXWQSGQ-NEPJUHHUSA-N 322.413 -0.292 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(c2nc(C)ns2)C[C@H]1C 1090702797 PNYWETODGRYWNA-MWLCHTKSSA-N 321.406 -0.073 30 20 DBED CCOCC(=O)N[C@H]1CCN(c2ccc(C#N)nn2)C[C@@H]1O 1092129587 RPYVBECZMTXCPJ-RYUDHWBXSA-N 305.338 -0.559 30 20 DBED CSCC(=O)N[C@@H]1CCN(c2ccc(C#N)nn2)C[C@@H]1O 1092149558 ZCJLWQMVGOJPTR-MNOVXSKESA-N 307.379 -0.233 30 20 DBED C[C@@H]1CN(c2ncccc2C#N)C[C@H]1CNC(=O)CNC(N)=O 1092322167 WIZUIQVYGJZOJC-ZYHUDNBSSA-N 316.365 -0.190 30 20 DBED CC(=O)N(C)CC(=O)N[C@H]1[C@@H]2CN(c3ccnc(C#N)n3)C[C@@H]21 1093216849 ALNUPNOSXGNHRF-HBYGRHMLSA-N 314.349 -0.623 30 20 DBED CN1C(=O)CN(CC(=O)NCCNc2ccc(C#N)nc2)C1=O 1093761139 SAGMKNCTSOAALP-UHFFFAOYSA-N 316.321 -0.625 30 20 DBED Cn1nnc2cc(C(=O)NCCNc3ccc(C#N)nn3)cnc21 1094000260 KHPMBUMGGYGSSV-UHFFFAOYSA-N 323.320 -0.133 30 20 DBED CO[C@@H](C(=O)NCCNc1cnc(C#N)cn1)[C@@H]1CCOC1 1094011221 BXNJLFAWYKSOKK-ZWNOBZJWSA-N 305.338 -0.072 30 20 DBED N#Cc1ccc(NCCCNC(=O)C(=O)NCC(F)F)nn1 1094658901 XAMGQQDWTWRJEO-UHFFFAOYSA-N 312.280 -0.352 30 20 DBED N#Cc1cncc(N2CCC(NC(=O)CNC(N)=O)CC2)n1 1095388935 WDKJZCBGDTYVKX-UHFFFAOYSA-N 303.326 -0.898 30 20 DBED CN(C)C(=O)CC(=O)NC1CCN(c2cncc(C#N)n2)CC1 1095449855 QUDZGHKDEZQBRU-UHFFFAOYSA-N 316.365 -0.088 30 20 DBED CN(CCCNC(=O)[C@@H]1CC[C@H]1C(N)=O)c1cncc(C#N)n1 1095696763 LVTHYKJQDHAYHO-VXGBXAGGSA-N 316.365 -0.198 30 20 DBED N#Cc1ccc(N2CCC3(CC2)C[C@H]3NC(=O)CC(N)=O)nn1 1096508414 XZBBISPWDIYIMB-LLVKDONJSA-N 314.349 -0.301 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](Nc1ccc2nnnn2n1)C1CC1 1096598685 PTDYUXGSEDEKCF-SCZZXKLOSA-N 300.326 -0.014 30 20 DBED C[C@H](C(=O)N[C@H]1C[C@@H](Nc2cncc(C#N)n2)C1)S(C)(=O)=O 1097265198 WRJXNWFCBFADSO-BBBLOLIVSA-N 323.378 -0.160 30 20 DBED C#CCCNCc1cn([C@H]2CCN(C(=O)c3nc[nH]n3)C2)nn1 1098752577 ZUFWOCUHKBCPNY-LBPRGKRZSA-N 314.353 -0.404 30 20 DBED CN1CCO[C@@H](C(=O)N2C[C@@H](NCC#N)[C@H](C(F)(F)F)C2)C1 1099231548 KDXVQMOZRQMWTL-GMTAPVOTSA-N 320.315 -0.181 30 20 DBED C[C@H](CCNC(=O)[C@]1(C)CNC(=O)C1)N=c1cc[nH]c(C#N)n1 1099597717 JEJXLMJMOPTFEW-BMIGLBTASA-N 316.365 -0.397 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCN(CC(=C)Cl)C[C@H]1O 1099790045 WMHHTCJRSCTINT-VXGBXAGGSA-N 313.785 -0.570 30 20 DBED C#CCCCC(=O)N[C@H]1CCN(CCN2CCCC2=O)C[C@@H]1O 1099805289 ZMBIYPNVQSBVLD-GJZGRUSLSA-N 321.421 -0.036 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)Cc2nonc2C)[C@@H](O)C1 1100056130 PFRIFHIBUDKJAH-OCCSQVGLSA-N 322.365 -0.878 30 20 DBED Cc1c[nH]cc1C(=O)N[C@@H]1CCN(CC(=O)NCC#N)C[C@@H]1O 1100107658 JKSVRGAAUXZLPX-OLZOCXBDSA-N 319.365 -0.872 30 20 DBED N#Cc1cncc(N2CCC[C@@H]2CNC(=O)Cn2nccn2)n1 1100872064 NWOKXQCINHZXLE-GFCCVEGCSA-N 312.337 -0.275 30 20 DBED C[C@@H](CC(N)=O)C(=O)NC[C@H]1CCCN1c1nccnc1C#N 1100887066 SVSUUUIMKWCJCL-WDEREUQCSA-N 316.365 -0.055 30 20 DBED CCCN(CCNC(=O)CNC(C)=O)c1ccnc(C#N)n1 1101078486 ISDKZFBUSUKZPB-UHFFFAOYSA-N 304.354 -0.183 30 20 DBED CCCN(CCNC(=O)[C@@H]1CCC(=O)N1)c1nccnc1C#N 1101163573 XGRVHSCVQNWEAR-NSHDSACASA-N 316.365 -0.041 30 20 DBED Cc1cc(C#N)nc(NCCN(C)C(=O)CCNC(N)=O)n1 1101611166 QCWSRVZOZIUKJH-UHFFFAOYSA-N 305.342 -0.415 30 20 DBED N#Cc1cnc(N2C[C@@H]3C[C@H]2CN3C(=O)CNC(N)=O)c(F)c1 1102536052 GNCPCTDNHIKTKK-UWVGGRQHSA-N 318.312 -0.450 30 20 DBED C[C@@H](CNc1ncccc1C#N)N(C)C(=O)[C@@H]1CNC(=O)N1 1104784081 CJWLAVCVSIFLCD-ONGXEEELSA-N 302.338 -0.107 30 20 DBED Cc1cnc(C(=O)NC[C@@H](O)CNc2cnc(C#N)cn2)cn1 1105709923 RNJHJLOVQJOWCQ-NSHDSACASA-N 313.321 -0.351 30 20 DBED Cc1occc1C(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1 1105714690 FSDPUTGGFRVNHG-SNVBAGLBSA-N 301.306 -0.126 30 20 DBED Cn1ccc(C(=O)NC[C@H](O)CN=c2cc[nH]c(C#N)n2)c1 1105792580 PUPCNVYVNAMVNZ-LLVKDONJSA-N 300.322 -0.689 30 20 DBED CCc1cc(C(=O)NC[C@H](O)CN=c2cc[nH]c(C#N)n2)no1 1105907991 HAKDZNMIIYDZTJ-SECBINFHSA-N 316.321 -0.477 30 20 DBED C[C@@H](CC(=O)NC[C@H](O)CNc1ccc(C#N)nc1)NC(N)=O 1105973520 YMTGINUYOUEKDA-JOYOIKCWSA-N 320.353 -0.711 30 20 DBED Cc1ccc(C#N)c(NC[C@@H](O)CNC(=O)[C@H](C)CC(N)=O)n1 1106060214 QBHNWZOIOBEPSO-BXKDBHETSA-N 319.365 -0.338 30 20 DBED C#CCCN1CC(n2cc(CNC(=O)Cn3ccnc3)nn2)C1 1107242149 OICRGNUVXPWIHL-UHFFFAOYSA-N 313.365 -0.329 30 20 DBED CS(=O)(=O)CCC(=O)NC/C=C/CN=c1cc[nH]c(C#N)n1 1107575820 GMEGNERARPSVJL-NSCUHMNNSA-N 323.378 -0.711 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H](C)CN=c1cc[nH]c(C(=O)OC)n1 1107947724 CCVKYOWKZQIFFF-GHMZBOCLSA-N 320.349 -0.360 30 20 DBED C=C(C)CN1CCO[C@@](C)(CNC(=O)C[C@H]2CC(=O)NC2=O)C1 1108446722 HIGKFNBZPNONKZ-LRDDRELGSA-N 323.393 -0.178 30 20 DBED C#CCCN1CC(N2C[C@H](NC(=O)[C@@H](C)OCC)CC2=O)C1 1108513211 DAAQQBPYKDZIAP-CHWSQXEVSA-N 307.394 -0.164 30 20 DBED C=C(C)CCN1CC(N2C[C@@H](NC(=O)CC(N)=O)CC2=O)C1 1108524675 AIPXZDHEMGXKEK-NSHDSACASA-N 308.382 -0.771 30 20 DBED COC1(CC(=O)N[C@H]2CC(=O)N(C3CN(CC#N)C3)C2)CCC1 1108541275 SKLGFVOJENRFAG-LBPRGKRZSA-N 320.393 -0.130 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2[C@H](CC)C(N)=O 1109175321 GBLABGXIMMZKMT-XQHKEYJVSA-N 320.393 -0.889 30 20 DBED C[C@H](CN(C)c1ccnc(C#N)n1)NC(=O)[C@H]1CC(=O)N(C)C1 1109296691 YVOBDOWIMKBIKA-MNOVXSKESA-N 316.365 -0.233 30 20 DBED CN(CCCNc1nccnc1C#N)C(=O)Cn1nccn1 1109538941 AJWHKRVKNSYZSV-UHFFFAOYSA-N 300.326 -0.100 30 20 DBED Cc1cc(C#N)nc(N2CC[C@@](O)(CNC(=O)[C@@H](C)C#N)C2)n1 1111042366 TVEZSERHYDIVGX-ZUZCIYMTSA-N 314.349 -0.126 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)[C@H](C)NC(N)=O)C[C@H](C)O2 1111541843 DWMJFDMNSLNGJF-STQMWFEESA-N 322.409 -0.242 30 20 DBED C[C@H]1C[C@@H](NC(=O)CNC(N)=O)CCN1c1ccnc(C#N)n1 1112458053 WBAOHPGPCMMISO-UWVGGRQHSA-N 317.353 -0.510 30 20 DBED CCCCO[C@@H](C)C(=O)N1CCN(CC(=O)NCC#N)CC1 1112676501 NRBDCSJPASTJKT-ZDUSSCGKSA-N 310.398 -0.024 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)C2(C(N)=O)CC2)CC1 1113278157 DMYKRTYNOQRLTA-NSHDSACASA-N 308.382 -0.913 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)c3occc3C)[C@@H]2C1 1113854706 MHPQTWBSHWYQDY-VXGBXAGGSA-N 301.346 -0.003 30 20 DBED C[C@H](c1nnnn1C)N1C[C@@H]2C(NC(=O)CSCC#N)[C@H]2C1 1113896510 CMJPNFHRIJEELW-UTLUCORTSA-N 321.410 -0.426 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(c2ncccn2)CC[C@H]1C 1114011744 UZPTVLXWJASXNL-CHWSQXEVSA-N 315.377 -0.053 30 20 DBED CNC(=O)CC(=O)NC[C@H]1[C@@H]2CN(c3ccc(C#N)nn3)C[C@H]12 1114530302 IWPUMFGJEYDEJF-CNDDSTCGSA-N 314.349 -0.717 30 20 DBED CC#CCN1C[C@H]2C(NC(=O)[C@@H](NC(=O)COC)C(C)C)[C@@H]2C1 1114939780 OPMCUCCQUPULFT-NFAWXSAZSA-N 321.421 -0.157 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)c3ncccn3)[C@H]2C1 1115005682 PWFURFUJVLANGM-WUHRBBMRSA-N 315.377 -0.173 30 20 DBED C#CCN1C[C@@H]2C(NC(=O)COc3ccc(C(N)=O)cc3)[C@H]2C1 1115261300 ODEPIPXEQIZOFQ-KBPBESRZSA-N 313.357 -0.156 30 20 DBED C[C@H](CN(C)C(=O)[C@H](C)CC(N)=O)N=c1cc[nH]c(C#N)n1 1120399166 KAYKXSRBPGJZLU-NXEZZACHSA-N 304.354 -0.460 30 20 DBED N#Cc1cnc(N[C@@H](CO)CNC(=O)C2=COCCO2)c(F)c1 1121009920 GSIKMMMYDZRLQB-SNVBAGLBSA-N 322.296 -0.130 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H](CO)Nc1ncccc1C#N 1122034467 APRGAKQAPRECAQ-AAEUAGOBSA-N 302.334 -0.119 30 20 DBED COCCC1(C(=O)NC[C@H](CO)N=c2cc[nH]c(C#N)n2)CC1 1122132948 DCIKBVIDGWSHGX-LLVKDONJSA-N 319.365 -0.524 30 20 DBED CCN(C)C(C)(C)C(=O)NC[C@@H](CO)Nc1ccc(C#N)nn1 1122189688 IXIHHQHYZYJISC-LBPRGKRZSA-N 320.397 -0.032 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)c1cccn1C 1124081395 XHAMJVZVLPFZSR-NSHDSACASA-N 314.349 -0.346 30 20 DBED Cc1ncc(C(=O)N(C)C[C@H](O)CNc2nccnc2C#N)[nH]1 1124208273 WTMSWEBGNQRWDF-SNVBAGLBSA-N 315.337 -0.075 30 20 DBED CC(C)[C@@H](O)C(=O)N(C)C[C@H](O)CNc1cnc(C#N)cn1 1124296241 ZDEKCPDQZLMEAM-DGCLKSJQSA-N 307.354 -0.404 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)[C@@H]1C[C@@H]1C(=O)OC 1124682520 WHUVMWQCIOWCON-OLZOCXBDSA-N 323.393 -0.298 30 20 DBED CN(C[C@@H](O)CN(C)c1cnc(C#N)cn1)C(=O)[C@@H]1CCCO1 1124940041 NCKMMBVZTRJAOI-STQMWFEESA-N 319.365 -0.217 30 20 DBED CN(C)CCC(=O)N(C)C[C@@H](O)CN(C)c1ccnc(C#N)n1 1125253876 ISTHZQKNEWIIQX-LBPRGKRZSA-N 320.397 -0.445 30 20 DBED COC[C@@H](C)OC[C@H](O)CNCCNC(=O)c1cc(C#N)c[nH]1 1125360705 JCGYLFRPHUSOKX-DGCLKSJQSA-N 324.381 -0.382 30 20 DBED C[C@@H](NCCNC(=O)C#CC1CC1)C(=O)NC(=O)NC1CC1 1126886497 VFXQLDUBTGRUGT-SNVBAGLBSA-N 306.366 -0.518 30 20 DBED N#CCNC(=O)CNCCNC(=O)[C@@H]1CCCc2c[nH]nc21 1127332984 HWVAJKZRVPNWNR-LLVKDONJSA-N 304.354 -0.825 30 20 DBED C#CCCN[C@@H]1CN(C(=O)[C@]2(F)CCOC2)C[C@@H]1n1ccnn1 1129978262 XUWWHZFEAUUJHX-IPYPFGDCSA-N 321.356 -0.229 30 20 DBED C#CCN1CC[C@@H](c2n[nH]cc2CNC(=O)CNC(N)=O)C1 1130342233 DNHKKULLDWZBOJ-SNVBAGLBSA-N 304.354 -0.883 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H]2C[C@@H]3CN(CCC)C[C@]2(C1)O3 1131220684 OUXQDWQVLOZHID-CKEIUWERSA-N 319.405 -0.162 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@H]2C[C@@H]3CN(CCOC)C[C@]2(C1)O3 1131230152 GJCVKXSKRXYQMA-KLZNWCGWSA-N 322.405 -0.027 30 20 DBED CCOCC(=O)N1CCC[C@H](N2CCN(CC#N)CC2=O)C1 1131706823 NVSZLUOIFNOHGS-ZDUSSCGKSA-N 308.382 -0.318 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)CC(=O)NC)CC[C@H]1C 1131973157 YRGUSQSLBHWXCI-NEPJUHHUSA-N 310.398 -0.606 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)[C@@H](F)CC 1132447183 VXRPOBWYYNASPV-UWVGGRQHSA-N 302.350 -0.159 30 20 DBED Cc1c(Cl)c(C(=O)NCCNCC(=O)NCC#N)nn1C 1134508048 QVCIXCQLYGXQGJ-UHFFFAOYSA-N 312.761 -0.659 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CN(CCNC(=O)C2CC2)CCCO1 1149416847 WHUDRADSHIKODI-TZMCWYRMSA-N 322.409 -0.121 30 20 DBED CC#CCN1CCC(CCOC)(NC(=O)Cn2ncnn2)CC1 1151138252 WOVSRUCSLYRKCZ-UHFFFAOYSA-N 320.397 -0.316 30 20 DBED C#CCN1CCC(C(=O)NCCN[C@H]2CCCN(C)C2=O)CC1 1152323712 CCOONPYTJXYGFK-HNNXBMFYSA-N 320.437 -0.342 30 20 DBED C=CCOCC(=O)NCCCNCC(=O)Nc1cnccn1 1155725413 RMDFOGJCONFYCW-UHFFFAOYSA-N 307.354 -0.286 30 20 DBED C#CCNC(=O)CC(=O)NCCCNCc1nccnc1C 1156853048 WBLXCFKVZTVWEJ-UHFFFAOYSA-N 303.366 -0.480 30 20 DBED C#CCC1(C(=O)NCCCNC[C@H](O)COC)CCOCC1 1159644502 PICXPSHOXLIVTF-AWEZNQCLSA-N 312.410 -0.090 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1cc2n(n1)CCCC2 1160606186 FUTKADFIHPYNLW-UHFFFAOYSA-N 317.393 -0.322 30 20 DBED C#CCNC(=O)CNCCCC[C@H](C)NC(=O)CNC(=O)CC 1169797655 IBPRRBRTUFRJLA-ZDUSSCGKSA-N 324.425 -0.473 30 20 DBED N#CCNC(=O)CNCCCNC(=O)c1c[nH]nc1C1CC1 1169993481 AFZMREKFEKQIDQ-UHFFFAOYSA-N 304.354 -0.364 30 20 DBED C#CCOCCC(=O)N1CC[C@H](NCc2nnnn2C)[C@@H]1C 1178682099 VTGXUIFMAXPXEH-RYUDHWBXSA-N 306.370 -0.671 30 20 DBED CC#CCN[C@@H]1CCN(C(=O)CS(=O)(=O)CCOC)C1 1183700814 NLDPPLOWMKYZLP-GFCCVEGCSA-N 302.396 -0.739 30 20 DBED C=CCOCCN[C@@H]1CCN(C(=O)CC2CS(=O)(=O)C2)C1 1183798324 BMPBHGFVVYEYAI-CYBMUJFWSA-N 316.423 -0.186 30 20 DBED C=CCn1cc(C(=O)N2CC[C@@H](CNCC(N)=O)[C@@H](C)C2)nn1 1185259167 CJOZMKJVSGHFCB-RYUDHWBXSA-N 320.397 -0.363 30 20 DBED N#CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CC23CCOCC3)C1 1188482733 IQZZCARIMVWWBG-OLZOCXBDSA-N 320.393 -0.367 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@H]1CCN(C(=O)COCC=C)C1 1189370914 MJPJTCHVJHHPAC-KBPBESRZSA-N 307.394 -0.140 30 20 DBED CCCNC(=O)NC(=O)CN(C)[C@H]1CCN(C(=O)[C@H](C)C#N)C1 1189389354 JIOVKSZKYNNSRP-NEPJUHHUSA-N 323.397 -0.085 30 20 DBED CN(CC(=O)NCC#N)[C@H]1CCN(C(=O)Cc2cncnc2)C1 1189874253 KBMRVEMBECRLFO-ZDUSSCGKSA-N 316.365 -0.808 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2occc2C)C1 1191005485 RZYQDGKHTBXPIP-VXGBXAGGSA-N 307.350 -0.335 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)COCC=C)C1 1191756114 RNMUGISNHHNLEH-JHJVBQTASA-N 311.382 -0.959 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(Cc2cccc(OC)n2)C[C@H]1O 1191807545 RTUYNDYTVFBCHS-ZIAGYGMSSA-N 321.377 -0.046 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)[C@@H](CC)NC(C)=O)C1 1192464653 QRRFEVSSPVQVCV-ZIAGYGMSSA-N 324.425 -0.264 30 20 DBED C#CCCN(C)[C@H]1CCN(C(=O)COCc2ncnn2C)C1 1193180222 IHSCWDCLJLAOFE-ZDUSSCGKSA-N 305.382 -0.112 30 20 DBED CC#CCN(C)[C@H]1CCN(C(=O)CN2C(=O)NC(=O)C2(C)C)C1 1193243593 GVQGADPNRHOZFC-LBPRGKRZSA-N 320.393 -0.127 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)C2(F)CCOCC2)C1 1193595577 ZLZGYXJKMRNMTD-CHWSQXEVSA-N 316.373 -0.131 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@@H]1CCN(C(=O)c2nonc2C)C1 1194482900 BYNSQHNLZNGQSA-VXGBXAGGSA-N 319.365 -0.338 30 20 DBED C#CCCCCCC(=O)N[C@@H]1CN([C@@H](CC)C(N)=O)C[C@H]1O 1195307076 MUGNIUVMKKPVGU-HZSPNIEDSA-N 309.410 -0.005 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1CN(Cc2nnnn2CCC)C[C@H]1O 1195312681 VUOMSUIIFPQQJD-VXGBXAGGSA-N 322.413 -0.043 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCCN(Cc2nnnn2C)CC1 1195791561 FDJSICCHMATGIG-LBPRGKRZSA-N 306.370 -0.717 30 20 DBED C=CCCCN1C[C@@H](O)[C@H](NC(=O)Cn2nc(C)ccc2=O)C1 1198003612 AOJGJGJVNRENBN-ZIAGYGMSSA-N 320.393 -0.321 30 20 DBED C#CCNC(=O)CC(=O)N1CCC(NCc2nnc(C)o2)CC1 1200170714 GKNQPMZPQUYQAN-UHFFFAOYSA-N 319.365 -0.402 30 20 DBED C=CCNC[C@H]1CN(C(=O)CCS(=O)(=O)NC)CCCO1 1200502062 VISLUSBGPGOLPU-LBPRGKRZSA-N 319.427 -0.681 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2C)CCCO1 1201239527 IYLXRISQADJSGZ-ZIAGYGMSSA-N 307.394 -0.162 30 20 DBED COCC#CCNCC1CCN(C(=O)c2cnnn2C)CC1 1205147453 YQUISHWSYNSOIK-UHFFFAOYSA-N 305.382 -0.093 30 20 DBED CCN(CCC#N)C(=O)CN1C[C@@H](NC(=O)CC(N)=O)[C@H](C)C1 1206746466 CVYPHJKTEKUDSM-VXGBXAGGSA-N 323.397 -0.940 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)CCC(=O)NCC)C1 1207656658 KXDFLMSQQNYOPH-ZDUSSCGKSA-N 322.409 -0.767 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)CN2CCOCC2)C[C@H]1C 1214464057 LQIQCWHKLQJNCQ-ZIAGYGMSSA-N 324.425 -0.943 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)C2CC(OCC)C2)C[C@H]1C 1214553646 YHZRCGOEGNLCRL-XSCHDIRWSA-N 321.421 -0.013 30 20 DBED Cn1nccc1COCC(=O)N1CCO[C@@H]2CN(CC#N)C[C@@H]21 1218167909 HRIAXFQYDRYMSX-UONOGXRCSA-N 319.365 -0.628 30 20 DBED C=CCN1CC[C@H](N2C[C@H](O)[C@H](NC(=O)/C=C\C3CC3)C2)C1=O 1219430885 RKIRNYAUBHFFOK-PFTUTDBESA-N 319.405 -0.099 30 20 DBED CCc1noc(CN2C[C@H](O)[C@H](NC(=O)C#CC(C)C)C2)n1 1219587390 CWPFTDLUBXXWDS-NEPJUHHUSA-N 306.366 -0.047 30 20 DBED C=CCCCN1C[C@H](O)[C@H](NC(=O)CCN2CCOCC2)C1 1220553347 FVUPHKGCKHFFFP-CABCVRRESA-N 311.426 -0.164 30 20 DBED CCN(CC)CC(=O)NCC1CCN(CC(=O)NCC#N)CC1 1224910563 AFQXVIYTXGNLJZ-UHFFFAOYSA-N 323.441 -0.204 30 20 DBED C#CCNC(=O)CC(=O)NC1CCN(Cc2cnns2)CC1 1226961948 TZEKGTGUAPVPMP-UHFFFAOYSA-N 321.406 -0.242 30 20 DBED C#CCO[C@@H](C)C(=O)NC1CCN(Cc2cnn(C)n2)CC1 1227342206 KOVWMNXBSFMZHD-LBPRGKRZSA-N 305.382 -0.066 30 20 DBED C#CCN1CC[C@H]1CN(C)C(=O)[C@H](Cn1cccn1)N(C)C 1235303143 KMGAISQZFMZHHZ-GJZGRUSLSA-N 303.410 -0.021 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N(C)[C@@H]1CCS(=O)(=O)C1 1320138056 VEYVKEOEKBZXTP-SNVBAGLBSA-N 324.424 -0.584 30 20 DBED C=CC[C@@H](CC)NC(=O)C(=O)NCC(C)(C)NS(C)(=O)=O 1322671512 KVDKGMOMYVSOSS-SNVBAGLBSA-N 319.427 -0.099 30 20 DBED C[C@H](NC(=O)C(=O)NCc1ccc(C#N)cc1)C(=O)N(C)C 1323274534 NBDUDZFDVHNHME-JTQLQIEISA-N 302.334 -0.233 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCO[C@@H]([C@@H]2CCCO2)C1 1323698373 JOLOVBZKSAZJQZ-QWHCGFSZSA-N 310.350 -0.841 30 20 DBED N#CC1(NC(=O)c2ccc(S(N)(=O)=O)nc2)CCOCC1 1324635968 OCWFOIBOIDIOHR-UHFFFAOYSA-N 310.335 -0.468 30 20 DBED C#CCSCCNC(=O)C(=O)NCC1CC2(C1)OCCO2 1335800338 IMOGWEKLXVYPDH-UHFFFAOYSA-N 312.391 -0.262 30 20 DBED N#CCNC(=O)CNS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1 1340976144 KGWPDEPDZPSYSZ-UHFFFAOYSA-N 320.330 -0.554 30 20 DBED N#C[C@]1(F)CCN(C(=O)C(=O)N[C@H]2CCCS(=O)(=O)C2)C1 1342119996 JIFDTVRHROETJH-JOYOIKCWSA-N 317.342 -0.856 30 20 DBED C#CCNC(=O)C1CCN(C(=O)C(=O)N2CC[C@H]3C[C@@H]3C2)CC1 1346993692 WHKJFNHLBSQVAE-UONOGXRCSA-N 317.389 -0.157 30 20 DBED C#CCNCC(=O)NCc1ccnc(N2CCN(C)CC2)c1 1353580965 FIUZAGKALWVUQZ-UHFFFAOYSA-N 301.394 -0.328 30 20 DBED Cc1[nH]c(C#N)cc1C(=O)N(C)C[C@H](O)CN1CCOCC1 1362210573 XCXRYKVCUHDQKR-ZDUSSCGKSA-N 306.366 -0.040 30 20 DBED Cn1c(=O)[nH]c(N2CCC(C3OCCO3)CC2)c(C#N)c1=O 1364146128 DVESKGLUDLOSIU-UHFFFAOYSA-N 306.322 -0.465 30 20 DBED COC(=O)C1(C#N)CCN(C(=O)NCC[S@@](C)=O)CC1 1365330740 PGPMQHXXENOKRB-HXUWFJFHSA-N 301.368 -0.147 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CN(C)C(=O)Cc1ccc(F)cn1 1370998624 ILXPYBSSPMGOBS-MFKMUULPSA-N 322.340 -0.142 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)CCc2ncccn2)C1 1384032829 RIYOZWQMYWXHDP-QJPTWQEYSA-N 317.349 -0.743 30 20 DBED C[C@H](C#N)C(=O)N1CCN(CCNC(=O)[C@@H]2CCCO2)CC1 1385521177 VLGVYNUPDSSDMA-OLZOCXBDSA-N 308.382 -0.415 30 20 DBED C[C@H](C#N)C(=O)NCCN(C(=O)c1cc(=O)n(C)cn1)C1CC1 1387529313 VKOTZZAKROUENQ-SNVBAGLBSA-N 317.349 -0.339 30 20 DBED COCC(=O)NC[C@@H](O)CNCc1ccc(OC)c(C#N)c1 1392342045 MQQOMEPTUWYVMU-ZDUSSCGKSA-N 307.350 -0.220 30 20 DBED C[C@H](C#N)C(=O)N[C@@H](CNC(=O)CS(C)(=O)=O)C1CC1 1396978149 QMVLTJHUZHLQEQ-SCZZXKLOSA-N 301.368 -0.798 30 20 DBED C[C@@H](C(=O)N(CCNC(=O)[C@H](C)C#N)C1CC1)S(C)(=O)=O 1398362476 CJFKCGWXJPVFLR-ZJUUUORDSA-N 315.395 -0.314 30 20 DBED C=C(Br)CNC[C@@H](O)CNC(=O)c1[nH]nnc1C 1406250063 FCXBORSDENOCMA-MRVPVSSYSA-N 318.175 -0.298 30 20 DBED C[C@H](O)[C@@H](NC(=O)C1CCCC1)C(=O)N1CC(O)(CC#N)C1 1412030040 ICJGCRDKXXUNBZ-CMPLNLGQSA-N 309.366 -0.471 30 20 DBED Cc1cc(C)n(CC(=O)N(C)C[C@@H](O)CNC(=O)[C@H](C)C#N)n1 1413300746 SPIKVQYFAJGTKX-MFKMUULPSA-N 321.381 -0.405 30 20 DBED N#Cc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)CCCF)C2)c[nH]1 1413977517 MBYVRWNKNHPLPS-VXGBXAGGSA-N 308.313 -0.062 30 20 DBED N#Cc1ccc(CNC(=O)CN2CCC(O)(C(N)=O)CC2)cc1 1413991806 QNRSRLYXDAROIZ-UHFFFAOYSA-N 316.361 -0.513 30 20 DBED N#Cc1ccc(NC(=O)c2cn(C[C@@H]3CNC(=O)O3)nn2)nc1 1415743919 BJTYBDDXSHBOPX-VIFPVBQESA-N 313.277 -0.095 30 20 DBED CCCN1C[C@@H](C(=O)N2CC(CNC(=O)[C@@H](C)C#N)C2)CC1=O 1416122927 XYNBJSDYFQNJTR-AAEUAGOBSA-N 320.393 -0.021 30 20 DBED C[C@@H](CNC(=O)c1cccc(C(N)=O)n1)CNC(=O)[C@H](C)C#N 1416474046 OJWIUGGQIHOLIE-NXEZZACHSA-N 317.349 -0.178 30 20 DBED CCOCC1(C(=O)N(C)C[C@@H](O)CNC(=O)[C@H](C)C#N)CC1 1428227282 REQHXNRKXAQHIR-NEPJUHHUSA-N 311.382 -0.102 30 20 DBED C=C(Cl)CN1CC(O)(CNC(=O)C[C@@H]2COC(=O)C2)C1 1440045204 HWIMLBYQJIEROP-JTQLQIEISA-N 302.758 -0.145 30 20 DBED COCc1nocc1C(=O)N(C)C[C@@H](O)CNC(=O)[C@@H](C)C#N 1444691724 UIDXLAJACZQWTL-UWVGGRQHSA-N 324.337 -0.470 30 20 DBED C[C@H](C#N)C(=O)N(C)C[C@@H]1CCCN1C(=O)Cn1cncn1 1449476064 WCHWUBWVCCOPTK-NEPJUHHUSA-N 304.354 -0.113 30 20 DBED C[C@@H](CNC(=O)CCCS(N)(=O)=O)N(C)C(=O)[C@H](C)C#N 1450073985 GEHSHPIBLHEEEC-ZJUUUORDSA-N 318.399 -0.822 30 20 DBED C[C@H](CS(C)(=O)=O)C(=O)N(C)CCN(C)C(=O)[C@H](C)C#N 1457792505 BOQKUVOXNHRSHA-GHMZBOCLSA-N 317.411 -0.256 30 20 DBED CC(C)(C)C#CC(=O)N[C@H]1CCCN(CC(=O)NC(N)=O)C1 1481534502 WRRUEUHNRAAVTK-NSHDSACASA-N 308.382 -0.189 30 20 DBED C[C@H](C#N)C(=O)NCCN1CCN(CC(=O)N2CCC2)CC1 1490485503 GUBACPDDNSZMFZ-CYBMUJFWSA-N 307.398 -0.888 30 20 DBED C[C@@H](C#N)C(=O)NC1CN(C(=O)c2cccn3c(O)nnc23)C1 1530617295 QQWDYTYZZGCVQI-QMMMGPOBSA-N 314.305 -0.465 30 20 DBED C=CCNC(=O)CN1CCC[C@@H](NC(=O)[C@H]2CCN(C)C2=O)C1 1566628070 SDROTLMSCOQHLX-CHWSQXEVSA-N 322.409 -0.653 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N2CC[C@@H]3[C@H](C2)[C@@H]3C(=O)O)CCO1 1574241560 NUYVKQGYERNQPM-CHWFTXMASA-N 315.351 -0.892 30 20 DBED CCOC(=O)N1C[C@@H](NC(=O)C#CC2CCNCC2)[C@H](CO)C1 1577966972 CTELEUFIJPCIRZ-UONOGXRCSA-N 323.393 -0.445 30 20 DBED C#CC[C@@H](NC(=O)[C@H](CO)NC(=O)c1ccc(F)cc1)C(=O)O 1588407267 FTGQIMHXPOVENG-NEPJUHHUSA-N 322.292 -0.491 30 20 DBED C#CCN(CC(=O)O)C(=O)NC[C@H]1COC2(CCOCC2)O1 1588408650 WXEVOAYVMHGLSL-NSHDSACASA-N 312.322 -0.362 30 20 DBED C=CCn1c([C@@H]2CNC(=O)C2)nnc1N1CC[C@@H](C(=O)O)C1 1588471581 BDTOOQFQFANCOJ-ZJUUUORDSA-N 305.338 -0.022 30 20 DBED C=C(C)C[C@H](NS(=O)(=O)N(C)CCC(=O)O)C(=O)OC 1588555415 ICQTYSXCXCEQDD-VIFPVBQESA-N 308.356 -0.265 30 20 DBED C=C(C)COCCNC(=O)C(=O)N1CC[C@@](OC)(C(=O)O)C1 1588569930 OUFRFSNQIJEGOB-AWEZNQCLSA-N 314.338 -0.603 30 20 DBED N#CC[C@H]1CCCN(C(=O)C(=O)N2CCO[C@@H](C(=O)O)C2)C1 1594606209 QNERMJJTRVRUMA-GHMZBOCLSA-N 309.322 -0.549 30 20 DBED Cn1c(NC[C@@H](CC(=O)O)C2CC2)c(C#N)c(=O)n(C)c1=O 1600921893 NNDCCTBKVDQCNF-SECBINFHSA-N 306.322 -0.132 30 20 DBED N#Cc1ccc(C(=O)NCC2CN(C(=O)[C@@H]3C[C@@H]3C(=O)O)C2)[nH]1 1601092622 UZNMERRBWWOXOI-MNOVXSKESA-N 316.317 -0.205 30 20 DBED N#Cc1ccc(O[C@H]2CCN(CC(=O)NCCC(=O)O)C2)nc1 1601109568 WMOBENRQWXVPAO-LBPRGKRZSA-N 318.333 -0.003 30 20 DBED COCC(=O)N1CCN(c2ccc(C(=O)O)nc2C#N)CC1 1610241321 SUWBBYDIHJTFCL-UHFFFAOYSA-N 304.306 -0.054 30 20 DBED COCC[C@](C)(C#N)NS(=O)(=O)c1cnn(CC(=O)O)c1 1610253645 FXYGPSLSPDSFOD-LLVKDONJSA-N 316.339 -0.435 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)N2CCC[C@@H]2CC(=O)O)C1 1610620905 QMNXLFKMKRHJKP-YGRLFVJLSA-N 309.322 -0.671 30 20 DBED C[C@H](CCN1CCN(C)CC1)NC(=O)Cn1cnc(C#N)n1 1649756122 JZVLZRNQHIBZTN-GFCCVEGCSA-N 305.386 -0.708 30 20 DBED C#CCOCCC(=O)N1CC[C@H](N[C@@H](C)C(=O)NC2CC2)C1 1690665044 XTZXQTRFGOZFGF-JSGCOSHPSA-N 307.394 -0.116 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 1713146523 LLNREGIEFHRRAX-AAEUAGOBSA-N 313.361 -0.172 30 20 DBED C#CCNC(=O)CNC[C@@H]1CCCN(C(=O)c2ncccn2)C1 1752808463 BQYHTODOJUSOGW-ZDUSSCGKSA-N 315.377 -0.332 30 20 DBED C=CCOCCN1CC[C@H](CNC(=O)C[C@@H]2NC(=O)NC2=O)C1 1753127344 MNFOPUZPJIKOAE-NEPJUHHUSA-N 324.381 -0.775 30 20 DBED C=CCCN(C)C[C@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 1753359246 FWGRPMNCFLJQNN-GFCCVEGCSA-N 320.397 -0.267 30 20 DBED C=C(C)CN1CC[C@@H](N(CC)C(=O)Cn2cnc(C(N)=O)n2)C1 1753456762 CJOMNWGYPOCHQE-GFCCVEGCSA-N 320.397 -0.124 30 20 DBED C=CCOCCN1CC[C@H]2CN(C(=O)Cn3ncnn3)CC[C@@H]21 1753872942 QATLCWGKDFJYKR-KBPBESRZSA-N 320.397 -0.202 30 20 DBED C#CCNC(=O)CNCC[C@H](C)NC(=O)c1ncccc1O 1753960007 YDJPTEAAEDTCKJ-NSHDSACASA-N 304.350 -0.365 30 20 DBED C#CCNC(=O)[C@H](C)NC/C=C\CNC(=O)c1cnc(C)[nH]1 1754104214 QRICZHXYGIYBOH-GZTOBOFZSA-N 303.366 -0.268 30 20 DBED C=CCNC(=O)[C@@H](C)NC/C=C/CNC(=O)[C@H]1CCC(=O)N1C 1754162545 XVMKLHOLHVBRSC-FBVTZJDUSA-N 322.409 -0.440 30 20 DBED C[C@H](CNCC(=O)NCC#N)NC(=O)c1c[nH]nc1C1CC1 1754247731 GJUGLXODMWUIFD-SECBINFHSA-N 304.354 -0.365 30 20 DBED C#CCNC(=O)CN[C@@H](C)[C@@H]1CCN(C(=O)c2cn[nH]c2)C1 1754787379 JITDZAXDGZFPSV-NWDGAFQWSA-N 303.366 -0.401 30 20 DBED C#CCNC(=O)[C@@H](C)NCC[C@H]1CCN(C(=O)COCC)C1 1754902313 NHEDYEYSBNCMPX-KGLIPLIRSA-N 309.410 -0.011 30 20 DBED C[C@@H]1C[C@H](NCC(=O)NCC#N)CN1C(=O)c1ccc(O)nc1 1755689605 QLNLNJUUPKWANP-PWSUYJOCSA-N 317.349 -0.380 30 20 DBED CC(C)C#CC(=O)N(C)C[C@H](O)CNC[C@H](O)Cn1cccn1 1755776547 AROYWBGISWMDNS-CABCVRRESA-N 322.409 -0.688 30 20 DBED C#CCNC(=O)CNC[C@@H](NC(=O)c1cnccn1)C(C)(C)C 1755816457 KZYMEFGKUTULHS-CYBMUJFWSA-N 317.393 -0.040 30 20 DBED C#CCN(CCNC(=O)[C@@H]1CCCN(C(N)=O)C1)CCOC 1755839186 JMBMRQUUNAVQIU-CYBMUJFWSA-N 310.398 -0.525 30 20 DBED C[C@H]1C[C@H]1C(=O)NC1(CCO)CN(C(=O)CSCC#N)C1 1756075203 CVVMEWFRIKOOBD-WDEREUQCSA-N 311.407 -0.021 30 20 DBED O=C(COCC1CC1)NC1(CCO)CN(C(=O)C#CC2CC2)C1 1756079114 XZRLGCAEEIJZLL-UHFFFAOYSA-N 320.389 -0.094 30 20 DBED C=C(C)C(C)(C)C(=O)N[C@H](CO)CNC(=O)c1cnc(O)n1C 1756539940 HTBLYDRUTOKUAN-JTQLQIEISA-N 324.381 -0.065 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(C(=O)C(C)(C)F)C[C@H]1O 1756997269 LWMYXIFAVNLOFM-GHMZBOCLSA-N 300.330 -0.538 30 20 DBED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)Cc3cc(C)[nH]n3)C2)C1 1779164750 WQAHTVOFGRRFRK-MRXNPFEDSA-N 316.361 -0.276 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)C(=O)c1ccco1)CCO2 1783046484 KANRVVVEKDWFCK-MRXNPFEDSA-N 316.313 -0.075 30 20 DBED C[C@H](NC=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC#N)C[C@@H]21 1789879448 JQIPGPUYKOWHOP-CYDGBPFRSA-N 322.365 -0.986 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COC 1795204495 NLBBMONIFURSBX-GUIRCDHDSA-N 324.377 -0.739 30 20 DBED C#CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)CC(=O)NC)CC2 1825012288 VMQPJWUNKDKTRQ-MRVPVSSYSA-N 320.374 -0.176 30 20 DBED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)C1CN(C)C1)C2 1841602511 QSYDTQNJQFHXPQ-CYBMUJFWSA-N 319.405 -0.210 30 20 DBED N#CCC(=O)N1CCCC12CN(C(=O)CCn1ccnn1)C2 1842624329 HCISSZSDCBVHOA-UHFFFAOYSA-N 302.338 -0.215 30 20 DBED CN(C)C(=O)C(=O)N1CCCC12CN(C(=O)C1(C#N)CC1)C2 1842836299 QSVYLXCIPHJTTH-UHFFFAOYSA-N 304.350 -0.418 30 20 DBED C=CCC(=O)N1CC2(CCCN2C(=O)[C@@H](COC)NC(C)=O)C1 1844387468 KSDYPNJKZQESRV-CYBMUJFWSA-N 323.393 -0.083 30 20 DBED C=CCN(CC=C)C(=O)[C@H](C)N1CCN(S(N)(=O)=O)CC1 42634642 TYJXVRGYWPJGLC-LBPRGKRZSA-N 316.427 -0.603 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)C(=O)NC2CC2)CC1 48007506 KAAWDXHQLPGMLJ-LLVKDONJSA-N 308.382 -0.900 30 20 DBED C=CCNC(=O)CN1CCN(c2ncccc2C(N)=O)CC1 73860765 RQNRIDXCCBZKQM-UHFFFAOYSA-N 303.366 -0.395 30 20 DBED CNS(=O)(=O)[C@@H]1CCN(CCC(=O)N(C)CCC#N)C1 92806455 FBSORADEKZMCDD-LLVKDONJSA-N 302.400 -0.628 30 20 DBED N#C[C@@H]1CN(C[C@@H](O)CN2C(=O)c3ccccc3C2=O)CCO1 264402063 PFMHUXHNSZJJIY-VXGBXAGGSA-N 315.329 -0.132 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N1CCC[C@@H](C(=O)NC)C1 272873425 SLDXRAKLJMJOES-LLVKDONJSA-N 317.411 -0.245 30 20 DBED C=CCNC(=O)CNC(=O)CNC(=O)c1cccc(OC)c1 272919932 MPBUBFMUBLVLIS-UHFFFAOYSA-N 305.334 -0.157 30 20 DBED CN1CCN(C)[C@H](CNS(=O)(=O)c2cccnc2C#N)C1 277040813 PCRCKCQAEVFAAV-LLVKDONJSA-N 309.395 -0.523 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H](COC)C2CC2)C1=O 288144937 MBKRCCKFGLONHN-STQMWFEESA-N 323.393 -0.227 30 20 DBED CN(C)CCCN(CCC#N)C(=O)CCn1ncn(C)c1=O 294089542 LTFKUWWMSXFNBD-UHFFFAOYSA-N 308.386 -0.334 30 20 DBED O=S(=O)(C1CC1)N1CCC[C@@H](/N=C(/O)C2(CO)COC2)C1 329305429 XNUZWMZMCRKVQZ-SNVBAGLBSA-N 318.395 -0.092 30 20 DBED C=CCN(C(=O)Cn1cnnc1O)[C@@H]1CCS(=O)(=O)C1 329623150 UTYHPDJKVPTHFG-SECBINFHSA-N 300.340 -0.815 30 20 DBED O=S1(=O)CCC[C@@H]1C/N=C(/O)NC[C@]1(O)CCSC1 330114086 DMCKHKHNBJBJGM-MWLCHTKSSA-N 308.425 -0.065 30 20 DBED COCC(=O)N1CCN(/C(O)=N/CC(=O)N2CCCC2)CC1 330482064 VZCAPMGPVGEITQ-UHFFFAOYSA-N 312.370 -0.687 30 20 DBED COC(=O)c1cn(CC/N=C(/O)N2CCC[C@@H](CO)C2)nn1 330752638 CLUUSCSEWVBCMQ-SNVBAGLBSA-N 311.342 -0.317 30 20 DBED COC[C@H]1CN(/C(O)=N/CCC(=O)N2CCOCC2)CCO1 330938493 VJQZXNXPFZOFBA-GFCCVEGCSA-N 315.370 -0.504 30 20 DBED CCOCC/N=C(/O)N1CCC(NS(=O)(=O)NC)CC1 331231728 IRIQVIPCKVHKDU-UHFFFAOYSA-N 308.404 -0.545 30 20 DBED CCS(=O)(=O)NCCS(=O)(=O)N[C@@H]1CCC[C@@H]1C#N 331353143 XVQNTYWRSMMBFN-NXEZZACHSA-N 309.413 -0.463 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N1CCO[C@H](c2n[nH]c(C)n2)C1 334035529 OFXTWBJKRMXBOG-KOLCDFICSA-N 322.369 -0.113 30 20 DBED C=CCOCC(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 346278812 KXTXSLFNCOWYEJ-ZDUSSCGKSA-N 311.382 -0.762 30 20 DBED C=CCN(CC=C)C(=O)CN1CCC[C@H](S(N)(=O)=O)C1 364094709 ANPFIPTUIGJCOM-LBPRGKRZSA-N 301.412 -0.060 30 20 DBED C=C(CC)CNC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CCN 418890765 SGRBBXBRSJVSOA-ZDUSSCGKSA-N 324.425 -0.085 30 20 DBED C=C(CC)CNC(=O)C(=O)Nc1ncn(CC(=O)OCC)n1 425774711 CWTWOYXPEMSWHG-UHFFFAOYSA-N 309.326 -0.138 30 20 DBED CC[C@@H](C)[C@@H](O)CNC(=O)C(=O)Nc1ccn(CCC#N)n1 444586951 STLIURFOEJCALZ-MNOVXSKESA-N 307.354 0.258 30 20 DBED C[C@@H]1C[C@@]1(C#N)C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 448727454 XYLKNUAFIWMQGF-WBMJQRKESA-N 318.377 -0.171 30 20 DBED COCC[C@H](CO)NCCS(=O)(=O)c1ccc(C#N)cn1 583630940 BBYSLIMFVCBYDX-GFCCVEGCSA-N 313.379 -0.286 30 20 DBED CC[C@@H](C#N)C(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 593472066 DQGRERPUKLSPMA-QWHCGFSZSA-N 308.382 -0.415 30 20 DBED COc1cccc(S(=O)(=O)NCC(=O)NCC#N)c1F 594467233 SMYIRYZIKHRTBS-UHFFFAOYSA-N 301.299 -0.248 30 20 DBED N#Cc1ccccc1S(=O)(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 594874764 TWZPLYDIJTWAFU-VXGBXAGGSA-N 320.374 -0.509 30 20 DBED CO[C@@H](CNC(=O)C(=O)N1CCN(CCC#N)CC1)C(C)C 602257874 DMBUDIQQYSHDMN-ZDUSSCGKSA-N 310.398 -0.169 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H]1CCN(C)C(=O)C1 619714163 AAKNRNRYUUMKRW-MNOVXSKESA-N 302.400 -0.077 30 20 DBED C=C(CNC(=O)C1(N(C)C)CC1)CNC(=O)C1(N(C)C)CC1 620747171 NFMBDCBIPUSPSW-UHFFFAOYSA-N 308.426 -0.037 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@H](CC)NC(C)=O)CC1 630621545 YMPYRBJWTPPWDO-ZDUSSCGKSA-N 310.398 -0.653 30 20 DBED N#CCN(CC(=O)O)C(=O)CCn1nnc2ccccc2c1=O 739077317 LGZCTDFRTYDVBC-UHFFFAOYSA-N 315.289 -0.382 30 20 DBED CCN(CCNC(=O)C(=O)Nc1cnn(CC#N)c1)C1CC1 746411151 HSUUPNFGRRQTAR-UHFFFAOYSA-N 304.354 -0.054 30 20 DBED C[C@@]1(c2cccnc2)NC(=O)N(CC(=O)NCCC#N)C1=O 757751178 YNWGUBNNVAJGLO-AWEZNQCLSA-N 301.306 -0.122 30 20 DBED C#CC(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 777479894 RYWVMDBHEHNCDV-UHFFFAOYSA-N 322.342 -0.420 30 20 DBED C=CCS(=O)(=O)NC(=O)c1ccc(OC)c(-n2cnnn2)c1 781822484 FDGXGRPWYDKVKX-UHFFFAOYSA-N 323.334 -0.084 30 20 DBED C#CCOCCNC(=O)C(=O)Nc1cnc2c(c1)c(C)nn2C 785163480 FPCAYJSWKCFWPA-UHFFFAOYSA-N 315.333 -0.019 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)C(C)(C)S(C)(=O)=O 785991470 FUJZIXMMGGWAIN-MRVPVSSYSA-N 320.367 -0.247 30 20 DBED C=CCN1CC[C@H](OC(=O)[C@@H]2CC(=O)N(CCOC)C2)C1=O 800128567 FWPNMXFIBJXYGT-NEPJUHHUSA-N 310.350 -0.189 30 20 DBED C#CCOCCNS(=O)(=O)c1ccc(-c2nn[nH]n2)nc1 823856579 UNCREGILLWATRF-UHFFFAOYSA-N 308.323 -0.810 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)Cc2nonc2C)CC1 845125157 YKXRUPXLSDTNFS-UHFFFAOYSA-N 307.354 -0.633 30 20 DBED CS(=O)(=O)c1ccc(S(=O)(=O)O[C@H]2CNOC2)cn1 845932880 NVNRWUMFWMUCPN-ZETCQYMHSA-N 308.337 -0.906 30 20 DBED C#C[C@H](NC(=O)CCN1C(=O)CCNC1=S)[C@H]1CCCO1 847758810 OPBDSIDTCWCLKT-WDEREUQCSA-N 309.391 -0.220 30 20 DBED Cn1nnc(Cn2cc(C#N)c(I)n2)n1 849924582 ZSMWGAYPVSNQQG-UHFFFAOYSA-N 315.078 -0.069 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N1C[C@@H](C)C[C@H](CO)C1 850712729 QEOLMOOBEZPCFZ-KBPBESRZSA-N 310.394 -0.038 30 20 DBED C#CCSCCNC(=O)N[C@H]1CS(=O)(=O)C[C@@H]1OC 852137809 XKLZUPJXXIVXCX-UWVGGRQHSA-N 306.409 -0.536 30 20 DBED CCOC(=O)CON=C(C(=O)NC1([C@@H](C)O)CC1)c1cc[nH]n1 856127470 BOXNZGZPJLDWQJ-SECBINFHSA-N 324.337 -0.277 30 20 DBED CN(C(=O)c1cn(C)nn1)[C@H]1CCN(C(=O)C#CC2CC2)C1 937347815 UBPJZGZDFOEQRH-LBPRGKRZSA-N 301.350 -0.099 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2cnon2)C1 938506038 GSGVOBFSSAYVOG-AAEUAGOBSA-N 317.349 -0.502 30 20 DBED C[C@H](C#N)C(=O)N1CCCN(C(=O)[C@@H]2CC(=O)N(C)C2)CC1 941316748 GHJFAEJOUYWCRI-VXGBXAGGSA-N 306.366 -0.315 30 20 DBED CCN(C(=O)c1nnn(C)n1)[C@H]1CCN(C(=O)[C@H](C)C#N)C1 942917241 HWUVVYMRBOBFEX-ZJUUUORDSA-N 305.342 -0.567 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)C[C@H]1C 947924353 BPQWPJDJROFZKF-CHWSQXEVSA-N 320.393 -0.127 30 20 DBED C[C@@H]1C[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)CCN1CC#N 947928534 BWFBGFGQLLRHFW-ZJUUUORDSA-N 315.337 -0.476 30 20 DBED C=C(C)CCN1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)CC1 957688251 KFVKJIDLUVJTDI-GFCCVEGCSA-N 301.412 -0.212 30 20 DBED C#CCCN1C[C@H](CNC(=O)c2cccn3nnnc23)[C@@H](O)C1 958092168 NUUVBOFTWFWWCA-AAEUAGOBSA-N 314.349 -0.830 30 20 DBED N#CCN1C[C@H](CNC(=O)c2snnc2C2CC2)[C@@H](O)C1 958158574 SBXVWLHCLLDYJZ-UWVGGRQHSA-N 307.379 -0.038 30 20 DBED C#CCCN1C[C@@H](O)[C@H](CNC(=O)c2ccnc(OC)n2)C1 958248914 QIGOFKWYVAQMRW-DGCLKSJQSA-N 304.350 -0.469 30 20 DBED C=CCN1C[C@H](O)[C@H](CNC(=O)c2cc(C)c(C(N)=O)cn2)C1 958409754 WIKDSAPZUJLTSE-RISCZKNCSA-N 318.377 -0.303 30 20 DBED C#CCCN1C[C@@H](O)[C@@H](CNC(=O)c2cccnc2C(N)=O)C1 958715838 ITKAHMIQHNHJHA-WCQYABFASA-N 316.361 -0.774 30 20 DBED Cc1ncc(C(=O)N(C)[C@H]2CN(C(=O)C#CC3CC3)C[C@@H]2O)[nH]1 958751269 IFPJMEMZDLSUPH-KBPBESRZSA-N 316.361 -0.225 30 20 DBED CC#CCN1C[C@H]2[C@H](NC(=O)c3cn([C@H]4CCOC4)nn3)[C@H]2C1 962227669 GORHGLMHXKCGIR-RMRHIDDWSA-N 315.377 -0.077 30 20 DBED Cc1nc[nH]c1C(=O)NC[C@@H]1COCCN1C(=O)[C@H](C)C#N 964255188 UZGIELYKMKDHIS-MWLCHTKSSA-N 305.338 -0.165 30 20 DBED CC(=O)N1CC(C(=O)N[C@H]2CN(C(=O)C#CC3CC3)C[C@H]2C)C1 966394756 CFDFOSLKNQLSLB-ABAIWWIYSA-N 317.389 -0.159 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C2CN(C(=O)c3cocn3)C2)CC1 967243171 FDHYAOAZNRFDHO-NSHDSACASA-N 317.349 -0.197 30 20 DBED CCN(C(=O)c1nnc(O)nc1O)C1CN(C(=O)[C@@H](C)C#N)C1 968172225 VIEYTBZFTQLJKZ-ZETCQYMHSA-N 320.309 -0.885 30 20 DBED C[C@H](NC(=O)c1cn(C[C@@H]2CCOC2)nn1)C1CN(CC#N)C1 970661439 AVVOTXGHNZIDPB-RYUDHWBXSA-N 318.381 -0.112 30 20 DBED CN(Cc1nnn(C)n1)[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 971372187 WHBYMQROIDQKID-LBPRGKRZSA-N 314.353 -0.244 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)C2)C1 972430484 GMKDBFNNJTXPKT-INMHGKMJSA-N 321.421 -0.358 30 20 DBED N#CCN1C[C@@H]2C(CNC(=O)c3ccoc3CC(N)=O)[C@H]2C1 978664155 YSVMJVWONPVUMS-VXGBXAGGSA-N 302.334 -0.261 30 20 DBED C#CCCN1C[C@H]2[C@H](CNC(=O)[C@H]3CC[C@@H](C(N)=O)O3)[C@H]2C1 978708211 SPVJGGVACDIQQC-PDWCTOEPSA-N 305.378 -0.663 30 20 DBED C=CCn1cc(C(=O)NCC2[C@@H]3CN(CCCO)C[C@@H]23)nn1 978823342 ZKIQUEGBYQTKST-STQMWFEESA-N 305.382 -0.246 30 20 DBED C#CCN[C@H]1C[C@H](C)N(C(=O)Cc2ccc(C(N)=O)nc2)C1 989037409 XPCHOOGWLRFSET-AAEUAGOBSA-N 300.362 -0.065 30 20 DBED N#Cc1ccc(C(=O)NC2CN(C(=O)[C@@]3(F)CCOC3)C2)[nH]1 990869548 ZSKFTEVQIGGMDP-CQSZACIVSA-N 306.297 -0.044 30 20 DBED CSCC(=O)N1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@H](O)C1 991399889 HJZRJJOKYFNKBM-ZYHUDNBSSA-N 322.390 -0.059 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@@H](NC(=O)c2cnon2)[C@H](O)C1 991703927 JUYOGJYIAHBGDX-MWLCHTKSSA-N 308.338 -0.027 30 20 DBED C#CCN1CCC[C@@H](NC(=O)Cn2ccc(O)nc2=O)[C@H]1C 993575564 WKOSSPLRCOBWAU-VXGBXAGGSA-N 304.350 -0.449 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)[C@@]2(C)CCCS2(=O)=O)C1 995347849 AEWZVQPJWRBQEO-TVQRCGJNSA-N 313.379 -0.560 30 20 DBED O=C(N[C@@H]1CC(=O)N(C2CN(C(=O)C#CC3CC3)C2)C1)C1CC1 995464901 RASHOECOSLBJNA-CYBMUJFWSA-N 315.373 -0.262 30 20 DBED C=C(Cl)CN[C@@H]1CCCN(C(=O)CN2C(=O)CNC2=O)C1 1000863403 ALRUIYYCYYUXTE-SNVBAGLBSA-N 314.773 -0.129 30 20 DBED Cn1ncc(C(=O)N2CC(CNC(=O)c3c[nH]c(C#N)c3)C2)n1 1001508042 VUYQSFHKUQISRD-UHFFFAOYSA-N 313.321 -0.483 30 20 DBED C[C@H](C#N)C(=O)N1CC(CNC(=O)[C@@H]2CCCC(=O)N2C)C1 1003656528 YODNQKGXZFBWSR-PWSUYJOCSA-N 306.366 -0.268 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CC2(CC(NC(=O)C(N)=O)C2)C1 1014034226 PXFAGYNYPXMEAT-RIYSRVCLSA-N 321.377 -0.394 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCN([C@H](C)C(=O)N(C)C)C2)nn1 1015810968 WEDFFOBMBRRLHI-VXGBXAGGSA-N 320.397 -0.255 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCN(C(=O)[C@@H]3CN(C)C(=O)N3)C2)C1 1019365016 RSPJXZSSEGEDAH-MNOVXSKESA-N 319.365 -0.769 30 20 DBED C#CCN[C@H]1C[C@H](NC(=O)C2(n3cnnn3)CCOCC2)C1 1020721627 SXCULPJOAWSLQP-HAQNSBGRSA-N 304.354 -0.951 30 20 DBED N#CCN1[C@H]2CC[C@H]1CC(NC(=O)Cn1cnc(C(N)=O)n1)C2 1021263368 RWEGCBGFFNHWNN-QWRGUYRKSA-N 317.353 -0.988 30 20 DBED C=C1CC(C)(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3[C@H]4COC[C@H]43)C2)C1 1025147703 KOJIVOBKJFWWLD-ITGHMWBKSA-N 320.389 -0.077 30 20 DBED N#Cc1cc(C(=O)N2C[C@@H]3[C@@H](CC[C@H]3NCC(N)=O)C2)c[nH]1 1026244523 POFRMXNJJSZWQG-ZWKOPEQDSA-N 301.350 -0.188 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2CCN([C@H](C)C(N)=O)C2)nc1 1028936403 WVPTYTXTTYPEPU-YPMHNXCESA-N 300.362 -0.012 30 20 DBED C=C(C)CCN1CC(NC(=O)Cn2ccc(=O)n(C)c2=O)C1 1030399009 OJPDACCXNFLDPK-UHFFFAOYSA-N 306.366 -0.686 30 20 DBED N#Cc1ccc(CN2CC(NC(=O)[C@@H]3CNC(=O)N3)C2)c(F)c1 1030878815 XLJINVJCLHLNSE-ZDUSSCGKSA-N 317.324 -0.321 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)c3cn(CC)nn3)C2)C1=O 1031162422 RHPBRDRMPHMSRS-ZDUSSCGKSA-N 318.381 -0.501 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)c2cccnc2C(N)=O)C1 1035608589 FVERQLNUFROICI-NSHDSACASA-N 302.334 -0.756 30 20 DBED C#CCN1CC[C@H]2CN(C(=O)Cn3nc(C)n(C)c3=O)CC[C@@H]21 1036882183 HXRYQBNNMZFRBI-KBPBESRZSA-N 317.393 -0.554 30 20 DBED C#CCN1CC[C@H]1CNC(=O)c1ccc(=O)n(CCOC)n1 1038477214 LHYIUKMARZHPIO-LBPRGKRZSA-N 304.350 -0.673 30 20 DBED C#CCCN1CC[C@H]1CNC(=O)c1nc(C)n(-c2nc[nH]n2)n1 1038575181 KFFDLHRYNSWLPF-NSHDSACASA-N 314.353 -0.479 30 20 DBED N#Cc1cncc(N2C[C@@H]3CCN(C(=O)CC(N)=O)[C@@H]3C2)n1 1040555717 OTZNWKKZRVVDJH-GXSJLCMTSA-N 300.322 -0.739 30 20 DBED CCc1nc[nH]c1C(=O)N1CC[C@@](O)(CNC(=O)[C@H](C)C#N)C1 1040761657 UXVXNBJKMBLPGM-MEBBXXQBSA-N 319.365 -0.175 30 20 DBED N#Cc1cnc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3CCOC3)C2)c(F)c1 1040938188 DODIXRWZIPCUMC-CYZMBNFOSA-N 320.324 -0.205 30 20 DBED C=C1CC(C)(C(=O)N2CC(O)(CNC(=O)Cn3cccn3)C2)C1 1041464653 RKZSXXCELMPISO-UHFFFAOYSA-N 318.377 -0.071 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)[C@H]2COCCO2)C1 1041600236 AZRGKOVBGJZHAX-LLVKDONJSA-N 312.366 -0.697 30 20 DBED COC[C@H](C)C(=O)NCC1(O)CN(C(=O)CSCC#N)C1 1042026028 HDNPVSVJDCILAO-JTQLQIEISA-N 315.395 -0.785 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)c2coc(OC)n2)C1 1042806963 MZMAMJXOFMVFDI-UHFFFAOYSA-N 321.333 -0.210 30 20 DBED O=C(C#CC1CC1)NCC1(O)CN(C(=O)Cc2cnoc2)C1 1042964462 GCNGIFQRNJUECB-UHFFFAOYSA-N 303.318 -0.680 30 20 DBED CN(C(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1)C1CN(CC#N)C1 1043428132 WRYNPNHYDJUZGO-CABCVRRESA-N 322.409 -0.468 30 20 DBED O=C(NCC1(O)CN(C(=O)C#CC2CC2)C1)c1cc(F)c[nH]1 1043930414 GIHOGYXJCOTISS-UHFFFAOYSA-N 305.309 -0.130 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)C[C@@H]2CCN(C)C2)C1 1044000380 GUXNAJYZPSCULH-NEPJUHHUSA-N 308.382 -0.823 30 20 DBED C=C(C)C[C@@H](C)C(=O)NCC1(O)CN(C(=O)[C@@H]2CCC(=O)N2)C1 1045058539 FSXKICBKSCDDTA-NEPJUHHUSA-N 323.393 -0.443 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3n[nH]cc3C2)C1 1047597717 XGXFKILBXXZKOR-CQDKDKBSSA-N 302.378 -0.349 30 20 DBED N#CCN1C[C@H]2CN(C(=O)[C@H]3CCCCN3C(N)=O)C[C@H]2C1 1049165408 OQSIZJWOEOPPRF-FRRDWIJNSA-N 305.382 -0.167 30 20 DBED N#CCN1C[C@H]2CN(C(=O)C3CCN(C(N)=O)CC3)C[C@H]2C1 1049206189 GPUFDNLNSFIFIN-BETUJISGSA-N 305.382 -0.309 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)C2(CN(C)C)CC2)C[C@@H]1O 1049395816 ZQYZFOJAWNSEHT-AGIUHOORSA-N 322.409 -0.482 30 20 DBED C=CCCC(=O)N[C@@H](C)[C@H]1CCN(C(=O)Cn2ncnn2)C1 1050807645 HKDRUEJRAQCOOK-RYUDHWBXSA-N 306.370 -0.008 30 20 DBED CC#CCN1CCOC[C@@H]1CNC(=O)c1nnn(C(C)(C)C)n1 1050924068 BYTYXOATFSFCSH-LBPRGKRZSA-N 320.397 -0.118 30 20 DBED N#Cc1cnc(N2CC[C@@H](NC(=O)c3cc[nH]n3)[C@@H](O)C2)cn1 1051614821 WVZYPHNGYMGMDZ-PWSUYJOCSA-N 313.321 -0.559 30 20 DBED C[C@H](C(N)=O)N1CCN([C@H]2CCN(C(=O)C#CC3CC3)C2)CC1 1052024720 KYPGSWDPCVCDSG-HIFRSBDPSA-N 318.421 -0.508 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)c3nc4ncccn4n3)CO2)C1 1053961075 NJTFRUPKIAKJOG-LLVKDONJSA-N 312.333 -0.669 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)[C@@H]3CCCC(=O)N3C)CO2)C1 1053997931 ZWAUMLMQXGYNOZ-KBPBESRZSA-N 319.405 -0.020 30 20 DBED C=CCOCCCC(=O)N1C[C@H]2CN(C(=O)C(N)=O)C[C@H]2C1 1055271366 ISXOFKYEICDQTN-TXEJJXNPSA-N 309.366 -0.629 30 20 DBED C=C(C)C[C@H](C)C(=O)N1CCC[C@](CO)(NC(=O)C(N)=O)C1 1056091323 SJCBYBNUDPRXMY-NHYWBVRUSA-N 311.382 -0.456 30 20 DBED O=C(NCCN(CCO)C(=O)C#CC1CC1)[C@H]1CCCOC1 1057530984 AIHNAENDECQSED-AWEZNQCLSA-N 308.378 -0.237 30 20 DBED CCOc1nc(C(=O)N(CCO)CCNC(=O)[C@H](C)C#N)co1 1058149500 ACWYMINTVUGVCM-SNVBAGLBSA-N 324.337 -0.216 30 20 DBED N#Cc1nccnc1N1CC[C@H](NC(=O)c2cc[n+]([O-])cc2)C1 1058276667 NIBZAPJSYICCOK-LBPRGKRZSA-N 310.317 -0.010 30 20 DBED C=C1CC(C)(C(=O)NCCN(CCO)C(=O)c2nc[nH]n2)C1 1058380958 TWEJGGAPSKCFLJ-UHFFFAOYSA-N 307.354 -0.288 30 20 DBED N#Cc1ccc(N2CC[C@H](NC(=O)C[C@H]3CCNC3=O)C2)nn1 1058465116 KXJMHMVJHFNIMM-PWSUYJOCSA-N 314.349 -0.431 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)C1(C)CCOCC1 1058653241 PWLWDBUQYUENTP-LBPRGKRZSA-N 311.382 -0.100 30 20 DBED CCN1CCCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@H](C)C#N 1058660857 JUIGGKPZWPRLGH-KGLIPLIRSA-N 324.425 -0.042 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H]1CC[C@H](NC(=O)C(N)=O)CC1 1060804192 RTQBLVCFIPYTGR-SRVKXCTJSA-N 309.366 -0.699 30 20 DBED C=CCCCC(=O)NC[C@@H]1COCCN1C(=O)Cn1ncnn1 1061830832 MNOMZXKZULXTBU-GFCCVEGCSA-N 322.369 -0.627 30 20 DBED N#Cc1nccnc1N1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC(=O)N1 1062459304 VFRHWASZLNPDIM-GARJFASQSA-N 312.333 -0.584 30 20 DBED CN(C(=O)Cn1ncnn1)[C@H]1CCN(c2cncc(C#N)n2)C1 1062979552 CTDFFLVYZVWHGY-NSHDSACASA-N 313.325 -0.928 30 20 DBED CN(C(=O)[C@H]1CCNC1=O)[C@@H]1CCN(c2cnc(C#N)cn2)C1 1063004263 CLCXUKVLHHOKAQ-NEPJUHHUSA-N 314.349 -0.479 30 20 DBED CCn1nncc1C(=O)N[C@@H]1[C@H]2C[C@H]1N(c1ccc(C#N)nn1)C2 1064246064 GFFAHTVNZUCCBS-DRCTWCGVSA-N 324.348 -0.033 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)CS(C)(=O)=O)CCC1 1064302904 WDTBVSKGYGPAHP-VIFPVBQESA-N 301.368 -0.654 30 20 DBED CO[C@@H](C)C(=O)N1CCO[C@H](CNC(=O)CSCC#N)C1 1064921587 ZWBHOOOCFFOFCP-WDEREUQCSA-N 315.395 -0.378 30 20 DBED C=CCCC(=O)N1CCO[C@H](CNC(=O)c2nnn(C)n2)C1 1064958998 FDHWCNJNTMILIP-SNVBAGLBSA-N 308.342 -0.867 30 20 DBED COCC(=O)NC[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)CCO1 1065064277 WTMFWUHCDOMYMJ-GFCCVEGCSA-N 306.322 -0.510 30 20 DBED CC(C)C#CC(=O)N1CCO[C@@H](CNC(=O)[C@H](C)NC(N)=O)C1 1065129961 XSRMANWPSKNJGA-RYUDHWBXSA-N 324.381 -0.954 30 20 DBED C[C@@]1(NC(=O)[C@H]2CCC(=O)N2)CCN(c2cnc(C#N)cn2)C1 1065224195 LFJGWFXPBXMFKP-IAQYHMDHSA-N 314.349 -0.288 30 20 DBED C=CCCO[C@H](C)C(=O)N[C@@H]1CCCN(C(=O)C(N)=O)CC1 1065956876 SQFNPACYNHXHIZ-VXGBXAGGSA-N 311.382 -0.050 30 20 DBED C[C@@H]1CN(C(=O)Cc2nc[nH]n2)C[C@@H]1N=c1cc[nH]cc1C#N 1067145243 VGNDDGOBXSBHRF-MFKMUULPSA-N 311.349 -0.005 30 20 DBED N#Cc1nccc(N2C[C@H](O)[C@H](CNC(=O)c3ccon3)C2)n1 1067654118 SSQTVQTWGWDIAG-KOLCDFICSA-N 314.305 -0.437 30 20 DBED C#CCCCC(=O)N1CCOC2(C1)CN(C(=O)c1nc[nH]n1)C2 1068389052 VLXXRDPBTXVHHU-UHFFFAOYSA-N 317.349 -0.338 30 20 DBED CN(C)CCC(=O)N1CCOC2(CN(C(=O)C#CC3CC3)C2)C1 1068456225 LYFKAOYFSYJGEG-UHFFFAOYSA-N 319.405 -0.209 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1COC2(C1)CN(C(=O)c1cn(C)nn1)C2 1069003990 REWZLZDAHSUBGG-ZJUUUORDSA-N 318.337 -0.926 30 20 DBED CC(C)C#CC(=O)N1CCC[C@@H](NC(=O)Cn2cnnn2)C1 1070696949 LUUDZDZEBDLBRX-GFCCVEGCSA-N 304.354 -0.560 30 20 DBED C#CCCN1CCNC(=O)CCN(C(=O)[C@H]2COCCO2)CC1 1070941722 BDBVETQCTDFWLG-CQSZACIVSA-N 323.393 -0.924 30 20 DBED C=CCCC(=O)N[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)C[C@H]1C 1072772525 HMESPDFFFRNKBF-GHMZBOCLSA-N 322.365 -0.533 30 20 DBED CCO[C@@H](C)C(=O)N1CCN(C2CN(C(=O)[C@H](C)C#N)C2)CC1 1073540780 YSMMTCGAQZWKID-OLZOCXBDSA-N 322.409 -0.074 30 20 DBED CCn1ncc(C(=O)N2CC[C@@H]3OCCN(CC#N)[C@@H]3C2)n1 1074236648 PTJUOHQKZQKWLM-OLZOCXBDSA-N 304.354 -0.263 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)Cn3ccccc3=O)C[C@@H]21 1074408045 PBBODRXKUAYBQW-GJZGRUSLSA-N 315.373 -0.217 30 20 DBED C=C(C)CN1C[C@@H]2CCN(C(=O)Cn3cnc(C(N)=O)n3)[C@@H]2C1 1075812188 ZJJFWOCVBJFMBL-NWDGAFQWSA-N 318.381 -0.514 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H](C)CCNC(=O)CS(C)(=O)=O 1075817049 DZDNEDJOFJIPAD-GWCFXTLKSA-N 320.411 -0.631 30 20 DBED C=CCOCC(=O)N[C@@H](C)CCNC(=O)CS(C)(=O)=O 1075817529 ZMRYKQATTYPSHG-JTQLQIEISA-N 306.384 -0.755 30 20 DBED C#CCOCCC(=O)N[C@@H](C)CCNC(=O)CNC(=O)CC 1075945659 XVHZPBRNDQMMIO-LBPRGKRZSA-N 311.382 -0.437 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@H](C)n2nnnc2C(C)(C)C)C1 1077110450 RZDYOFYIGAEAMP-QJPTWQEYSA-N 320.397 -0.674 30 20 DBED C#CCOc1ccc(C(=O)N[C@@H]2CN(C[C@@H](C)O)C[C@H]2O)cc1 1077795684 SDQWBTXFXXUYNY-DAXOMENPSA-N 318.373 -0.146 30 20 DBED C#CCN[C@@H]1C[C@H](NC(=O)CN2C(=O)CN(C)C2=O)C12CCC2 1078804026 RMSNVSOBESDOMY-NEPJUHHUSA-N 318.377 -0.469 30 20 DBED CCN(C(=O)CSCC#N)C1CN(C(=O)c2cnon2)C1 1079341637 HZOYPWPPFROVDN-UHFFFAOYSA-N 309.351 -0.001 30 20 DBED CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)[C@@H]2COCCN2C)C1 1080411710 RNOBSHVPIUFRGM-AAEUAGOBSA-N 308.382 -0.464 30 20 DBED CCN(C(=O)Cn1cncn1)C1CN(C(=O)CSCC#N)C1 1080584190 NUTDVHHUUVZISP-UHFFFAOYSA-N 322.394 -0.406 30 20 DBED C#CCCCCCC(=O)N1CCC(CO)(NC(=O)C(N)=O)CC1 1080978784 QPERCGXWCLZOLI-UHFFFAOYSA-N 323.393 -0.475 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)CNC(=O)CC)C[C@@H]1O 1081332211 BXDBVGYMLYJURT-NEPJUHHUSA-N 311.382 -0.586 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)COCCOC)C[C@H]1O 1081333537 UVNRCCSEYRCISF-CHWSQXEVSA-N 314.382 -0.449 30 20 DBED C=C1CC(C)(C(=O)N2C[C@@H](O)[C@H](CNC(=O)CC(N)=O)C2)C1 1081371317 NBROOEQLPGVXPP-GHMZBOCLSA-N 309.366 -0.846 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)[C@]2(C)CCNC(=O)C2)C1 1083564753 MCZUNVIGHUSSDG-UHIISALHSA-N 315.801 -0.184 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)[C@]2(C)CCCS2(=O)=O)C1 1083851713 MUIOUYZNZOSOCJ-MDZLAQPJSA-N 302.396 -0.699 30 20 DBED C=CCN1CC[C@@H]2CN(C(=O)Cn3ccc(O)nc3=O)[C@@H]2C1 1084493739 BGWHRJHWJFJDBQ-VXGBXAGGSA-N 304.350 -0.332 30 20 DBED CN(C[C@H]1CCN1CC#N)C(=O)[C@@H]1CCc2nnn(C)c2C1 1085787461 PKBVLMFXKDRKQW-VXGBXAGGSA-N 302.382 -0.024 30 20 DBED C#CCN1C[C@H]2CC[C@H]1[C@H]1CN(C(=O)Cn3cnnc3O)C[C@@H]21 1087351202 OHURVPNOFCRJKH-RFGFWPKPSA-N 315.377 -0.214 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2cnc3[nH]nnc3c2)[C@H](O)C1 1090328298 ZXKXXJIIKGSLLS-DGCLKSJQSA-N 314.349 -0.459 30 20 DBED Cn1nc(C(=O)N[C@H]2CCN(CC#N)C[C@@H]2O)c2c1CCCC2 1090584979 XGHJJNOUIPJNRD-JSGCOSHPSA-N 317.393 -0.013 30 20 DBED N#Cc1nccnc1N1C[C@H]2C(NC(=O)CCn3cncn3)[C@@H]2C1 1093212843 LFUJQDCKANKXLH-GHMZBOCLSA-N 324.348 -0.419 30 20 DBED CC(C)[C@@H](O)C(=O)NC1[C@H]2CN(c3ccc(C#N)nn3)C[C@H]12 1093260522 MWXALWOAVJJEFE-COPLHBTASA-N 301.350 -0.084 30 20 DBED N#Cc1cccnc1N1C[C@@H]2C(NC(=O)C3(C(N)=O)CC3)[C@H]2C1 1093357352 XPHREQGHGJFNTP-QWRGUYRKSA-N 311.345 -0.230 30 20 DBED CCN1CCOC[C@H]1C(=O)NCCNc1nc(C)cc(C#N)n1 1093976687 BTHRYVWBIGCEHQ-ZDUSSCGKSA-N 318.381 -0.095 30 20 DBED N#Cc1cncc(NCCNC(=O)CCCCNC(N)=O)n1 1093989355 ZPTZXPQNVZGWFZ-UHFFFAOYSA-N 305.342 -0.285 30 20 DBED N#Cc1nc(=NCCNC(=O)c2cccc(C(N)=O)c2)cc[nH]1 1094239247 LHAGAMPWMRYBHD-UHFFFAOYSA-N 310.317 -0.289 30 20 DBED C#CCN1CC(n2cc(CNC(=O)c3cc(CC)[nH]n3)nn2)C1 1094274305 KHOUBUQVQFHBOH-UHFFFAOYSA-N 313.365 -0.017 30 20 DBED C#CCNC(=O)CC(=O)NCCCNc1nccnc1C#N 1094372454 GOWZWERXTZDRJF-UHFFFAOYSA-N 300.322 -0.594 30 20 DBED C[C@H](CS(C)(=O)=O)C(=O)NCCCN=c1cc[nH]cc1C#N 1094463851 XJRDLANOIIATHF-LLVKDONJSA-N 324.406 -0.026 30 20 DBED N#Cc1ccc(NCCCNC(=O)C[C@H]2CC(=O)NC2=O)nc1 1094485544 KMLCFODVTPPZPR-NSHDSACASA-N 315.333 -0.076 30 20 DBED N#CCN1CCN(C(=O)c2ccncc2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094601571 LZZBGCUZHZHSIQ-QWHCGFSZSA-N 320.374 -0.471 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)[C@H]3CCCN3C)CC2=O)C1 1094713565 DDNXOVJFHNJNLU-GXTWGEPZSA-N 306.410 -0.332 30 20 DBED C[C@]1(C(=O)NCCCN=c2cc[nH]c(C#N)n2)CCNC(=O)C1 1094875228 DYGRDTDPGKZINE-HNNXBMFYSA-N 316.365 -0.395 30 20 DBED CNC(=O)C1(C(=O)N2CC[C@@H](Nc3cncc(C#N)n3)C2)CC1 1095048143 SZDPMNAZORRMJK-SNVBAGLBSA-N 314.349 -0.113 30 20 DBED CC(=O)N[C@H](C)C(=O)N[C@@H]1CCN(c2nccnc2C#N)C1 1096317709 YGZIBYKHXHKOHF-MWLCHTKSSA-N 302.338 -0.432 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](Nc2nc(C)ns2)C1 1096934140 AHPIERMEQSKBHZ-JTQLQIEISA-N 307.379 -0.001 30 20 DBED CN(C)C(=O)CC(=O)N[C@H]1C[C@@H](Nc2cncc(C#N)n2)C1 1097257533 QFCBPRAEWAQBQH-AOOOYVTPSA-N 302.338 -0.114 30 20 DBED Cc1cc(=N[C@H](C)CNC(=O)[C@H]2CN(C)CCO2)c(C#N)c[nH]1 1097768010 FSVCOZKNZOXBLL-IUODEOHRSA-N 317.393 -0.069 30 20 DBED N#CCNCc1cn([C@@H]2CCN(C(=O)[C@@H]3CCCO3)C2)nn1 1098604127 HTWVZSKFISGXBB-OLZOCXBDSA-N 304.354 -0.156 30 20 DBED C[C@@H](CC(N)=O)C(=O)N1CC[C@H](n2cc(CNCC#N)nn2)C1 1098697637 JYPWNUJQAXZJGU-JQWIXIFHSA-N 319.369 -0.824 30 20 DBED N#CCN1C[C@@H]2CCC[C@]2(NC(=O)CN2CCCNC2=O)C1 1098918932 KXRPLMULRYBVIF-WFASDCNBSA-N 305.382 -0.104 30 20 DBED CC[C@H](NC(C)=O)C(=O)NCC[C@@H](C)N=c1cc[nH]c(C#N)n1 1099708775 VUYNAEJLTJBULI-PWSUYJOCSA-N 318.381 -0.008 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCN(CC2CCC2)C[C@@H]1O 1099789695 QGACNTSVTCUDTF-KGLIPLIRSA-N 307.394 -0.523 30 20 DBED COCC#CCN1CC[C@H](NC(=O)Cc2nnc(C)o2)[C@@H](O)C1 1099802163 QABUBPOZQGYYDU-STQMWFEESA-N 322.365 -0.878 30 20 DBED C#CCCCC(=O)N[C@@H]1CCN(Cc2nnnn2C)C[C@H]1O 1099806457 BBZSNRDGEZIMAC-VXGBXAGGSA-N 306.370 -0.935 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)c2n[nH]cc2F)[C@H](O)C1 1099992321 XOFJXARRUMSJTC-NWDGAFQWSA-N 312.345 -0.084 30 20 DBED C#CCNC(=O)[C@H](C)NC1CC(CNC(=O)c2c[nH]nc2C)C1 1100554701 DQUHVVUDTMZJOY-HIFPTAJRSA-N 317.393 -0.046 30 20 DBED C#CCNC1CC(CNC(=O)CCNC(=O)[C@H]2CCCO2)C1 1101072541 PFNKLTGBDCBXFU-JXQTWKCFSA-N 307.394 -0.211 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CC2(CN(CC)C2)n2ccnc21 1101624308 RFQANTMUHQNRNK-LBPRGKRZSA-N 315.377 -0.386 30 20 DBED C#CCNCc1cn(C2CN(C(=O)c3ocnc3C)C2)nn1 1105202712 QUUINUJQNGCFEL-UHFFFAOYSA-N 300.322 -0.006 30 20 DBED C#CCNCc1cn(C2CN(C(=O)[C@@H]3CCN(C)[C@@H]3C)C2)nn1 1105242789 IBAKSFBMUUWYIS-IUODEOHRSA-N 316.409 -0.276 30 20 DBED CN(CCN(C)c1ccncc1C#N)C(=O)[C@@H]1CCNC1=O 1105534915 HOJQAZFSYCZNMV-GFCCVEGCSA-N 301.350 -0.016 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](O)CNC(=O)c2ccon2)n1 1105725076 DRCYBYNBHKNPPP-JTQLQIEISA-N 302.294 -0.153 30 20 DBED Cn1nccc1C(=O)NC[C@H](O)CNc1ccc(C#N)nn1 1105740031 SBFGHZKAXSHMIX-SNVBAGLBSA-N 301.310 -0.715 30 20 DBED N#Cc1cnc(NC[C@H](O)CNC(=O)C[C@H]2COC(=O)C2)cn1 1105819061 ASUWMZNYLQQCQM-KOLCDFICSA-N 319.321 -0.810 30 20 DBED CCc1nc[nH]c1C(=O)NC[C@H](O)CNc1ccc(C#N)nn1 1105922018 LDMVRFONTBKWJU-SNVBAGLBSA-N 315.337 -0.163 30 20 DBED Cc1ncc(CC(=O)NC[C@H](O)CN=c2cc[nH]c(C#N)n2)o1 1106004893 ZRYNJUMBFXRJCS-SNVBAGLBSA-N 316.321 -0.802 30 20 DBED CN1C[C@@H](C(=O)NC[C@H](O)CNc2ccc(C#N)cn2)CC1=O 1106145201 KEFIMBKSILYXMZ-NWDGAFQWSA-N 317.349 -0.679 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)c1cnn(C)n1 1106796382 RIUOLURRRSTOCQ-UHFFFAOYSA-N 300.326 -0.527 30 20 DBED N#Cc1c[nH]ccc1=NC/C=C/CNC(=O)[C@@H]1CCNC(=O)C1 1107122094 LZPDYEDZWGXFMQ-YYRQZUAOSA-N 313.361 -0.014 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@]1(C)CN(CCO)CCO1 1108003484 IHHXWDNXPRZWIE-HOCLYGCPSA-N 309.410 -0.717 30 20 DBED C[C@]1(CNC(=O)C(=O)NCC(F)(F)F)CN(CC#N)CCO1 1108308327 HTVHSUPASOWFFN-NSHDSACASA-N 322.287 -0.604 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)CCc3nc[nH]n3)CC2=O)C1 1108528904 AOQOVXPJTQRGHZ-NSHDSACASA-N 318.381 -0.675 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H]1CC(=O)N(C2CN(CC3CC3)C2)C1 1108546234 RJAFCBNUZBZUOW-OCCSQVGLSA-N 319.405 -0.164 30 20 DBED Cc1cc(C#N)nc(NC[C@H](C)NC(=O)[C@H]2C[C@H]2C(N)=O)n1 1108695458 LIIHMFYJQLYZDC-GDPRMGEGSA-N 302.338 -0.305 30 20 DBED C[C@@H](CN(C)c1ccc(C#N)nn1)NC(=O)[C@H](C)NC(N)=O 1108915042 CAFYATNVTJUXPP-IUCAKERBSA-N 305.342 -0.654 30 20 DBED C[C@@H](CN(C)c1cnc(C#N)cn1)NC(=O)[C@@]1(C)CCNC1=O 1109235437 DHHUYCAOVQZITG-BONVTDFDSA-N 316.365 -0.185 30 20 DBED CN(C)C(=O)CC(=O)N[C@@H]1[C@H]2C[C@H]1N(c1cnc(C#N)cn1)C2 1109743016 GXKAXQOMAQXBSW-ZVWUFJHRSA-N 314.349 -0.480 30 20 DBED C[C@]1(NC(=O)Cn2cnnn2)CCN(c2nccnc2C#N)C1 1110711223 UVHROTIPAAFUEX-ZDUSSCGKSA-N 313.325 -0.880 30 20 DBED C#CCO[C@H](C)C(=O)N(CCO)CCNc1cncc(C#N)n1 1111510947 QVOADBFNFKPNAU-GFCCVEGCSA-N 317.349 -0.381 30 20 DBED COC(=O)NCC(=O)N1C[C@@H](C)[C@@H](N=c2cc[nH]cc2C#N)C1 1112298705 ZUQISTQJQNUSGB-MFKMUULPSA-N 317.349 -0.010 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 1112774171 JVZLSSRQWMQTDV-GFCCVEGCSA-N 313.361 -0.218 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCN(CCNS(C)(=O)=O)CC1 1112814805 VLGFWFKUPBNFQC-CYBMUJFWSA-N 319.427 -0.993 30 20 DBED Cc1nc(CC(=O)N[C@@H](C)[C@@H](C)N=c2cc[nH]c(C#N)n2)n[nH]1 1113003900 HQTAXTYBTBNFMI-BDAKNGLRSA-N 314.353 -0.256 30 20 DBED COCC#CCN1CCN(C(=O)CNC(=O)C2CCC2)CC1 1113681101 FBKXGDLMTRHNCU-UHFFFAOYSA-N 307.394 -0.303 30 20 DBED CNC(=O)NC(C)(C)C(=O)N1CCN(CC#CCOC)CC1 1113681226 KZXMMSTWCGIKAY-UHFFFAOYSA-N 310.398 -0.512 30 20 DBED C[C@H]1CCN(c2ccc(C#N)nn2)C[C@H]1NC(=O)CNC(N)=O 1113998459 YJLQEQXWIXEKJN-GXSJLCMTSA-N 317.353 -0.652 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)c3cnc(C)[nH]3)[C@H]2C1 1114041935 UFHRHISHAVYRBH-PQFRYHKHSA-N 315.377 -0.484 30 20 DBED C=CCOCCN1C[C@H]2C(NC(=O)CCn3ccnn3)[C@@H]2C1 1114186725 KHILYCOMOSGNBK-CHWSQXEVSA-N 305.382 -0.083 30 20 DBED C=C[C@](C)(O)CC(=O)NC1[C@@H]2CN(CC(=O)N3CCCC3)C[C@@H]12 1114189386 NXZXDXTXIGPESD-XNJGSVPQSA-N 321.421 -0.018 30 20 DBED N#CCNC(=O)CN1C[C@H]2C(NC(=O)C3(C(F)F)CC3)[C@@H]2C1 1114281245 WDNNZLWQQBUIJS-RKDXNWHRSA-N 312.320 -0.282 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)c3cc(F)c[nH]3)[C@H]2C1 1114581254 CBJUNZQQUNYUDH-WUWHUORYSA-N 318.352 -0.048 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)CN3CCCC3)[C@H]2C1 1115242151 WIZHAASFSWKPNO-VIKVFOODSA-N 306.410 -0.569 30 20 DBED C=CCO[C@H](C)C(=O)NC1[C@H]2CN(CC(=O)N3CCC3)C[C@H]12 1115331983 HPVJDZBNDMAXHN-AGIUHOORSA-N 307.394 -0.144 30 20 DBED C#CCNC(=O)CC(=O)N(C)C[C@H](C)Nc1cnc(C#N)cn1 1115684478 XLXDZTGPWBIMAZ-NSHDSACASA-N 314.349 -0.253 30 20 DBED C=C(C)CNC(=O)C(=O)Nc1ccn(CCS(C)(=O)=O)n1 1116693344 KEAYYALTKCFHHH-UHFFFAOYSA-N 314.367 -0.442 30 20 DBED Cc1nc(CCNC(=O)C(=O)N2CC[C@](O)(CC#N)C2)cs1 1118207564 NMRMYESWHIOUTJ-CQSZACIVSA-N 322.390 -0.013 30 20 DBED C[C@H](NC(=O)C(=O)N1CCN(CCC#N)CC1)[C@H]1CCOC1 1119139658 VKFVCTSPPBMTNI-STQMWFEESA-N 308.382 -0.415 30 20 DBED C[C@H](CN(C)C(=O)[C@H]1CNC(=O)N1)Nc1cncc(C#N)n1 1120635095 RHORWYHRUMGSSO-PSASIEDQSA-N 303.326 -0.712 30 20 DBED Cc1cc(CC(=O)NC[C@H](CO)Nc2cncc(C#N)n2)no1 1121229168 SJGZHVTYBWHXRZ-GFCCVEGCSA-N 316.321 -0.224 30 20 DBED Cc1ccc(C#N)c(N[C@H](CO)CNC(=O)[C@H]2CCC(=O)N2)n1 1121234707 GMMYAEMRDNREJN-NWDGAFQWSA-N 317.349 -0.571 30 20 DBED Cc1[nH]nc(C(=O)NC[C@@H](CO)Nc2cncc(C#N)n2)c1C 1121248461 BTYLXHAOIWUETM-NSHDSACASA-N 315.337 -0.109 30 20 DBED N#Cc1cc(C(=O)NC[C@H](CO)N=c2cc[nH]cc2C#N)c[nH]1 1121354060 ZPNGUZASRNDBOS-CYBMUJFWSA-N 310.317 -0.222 30 20 DBED Cc1ccc(C(=O)NC[C@H](CO)Nc2ccc(C#N)nn2)nn1 1121445839 FKAUNDZKIXAAQE-LLVKDONJSA-N 313.321 -0.351 30 20 DBED Cc1cc(=N[C@@H](CO)CNC(=O)c2nonc2C)c(C#N)c[nH]1 1121735634 YCCSJTUPDRMJII-LLVKDONJSA-N 316.321 -0.422 30 20 DBED Cc1nc(C(=O)NC[C@@H](CO)N=c2cc[nH]c(C#N)n2)cs1 1122411867 SVUNMDCVAIGKNA-VIFPVBQESA-N 318.362 -0.262 30 20 DBED N#C[C@H](C(=O)c1cscn1)C(=O)N1CCS(=O)(=O)CC1 1122496363 HPHINPBYFBNPTF-MRVPVSSYSA-N 313.360 -0.277 30 20 DBED CC[C@H](NC(C)=O)C(=O)NC[C@H](CO)Nc1nccnc1C#N 1122643426 CHCSXVCWCQQVKS-MNOVXSKESA-N 320.353 -0.848 30 20 DBED C=CCOCC(=O)NCCNCCCS(=O)(=O)CCOC 1124772963 MJGCXRGFXTVALE-UHFFFAOYSA-N 322.427 -0.654 30 20 DBED CN(C[C@H](O)CN(C)c1cncc(C#N)n1)C(=O)c1ccon1 1124983030 ZWNMNTUTMWFMMT-LLVKDONJSA-N 316.321 -0.094 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1c(C)nnn1CC 1129276007 ZYAXELLMEUSLBR-NSHDSACASA-N 306.370 -0.936 30 20 DBED CCN(C)C(C)(C)C(=O)N1C[C@H](n2ccnn2)[C@H](NCC#N)C1 1129919590 ZHEMQQSBWWNAOM-OLZOCXBDSA-N 319.413 -0.127 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)COC)C[C@H]1c1cn(C)cn1 1130468581 RGGGSJAMDZJHTO-DZGCQCFKSA-N 320.393 -0.400 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CCc2nccn2C1 1130481239 NRGZCCOCVMPEBM-OLZOCXBDSA-N 319.409 -0.158 30 20 DBED C=CCN[C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1c1cn(C)cn1 1130500256 FAZKHWONCWIMLV-CMPLNLGQSA-N 306.370 -0.842 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)Cn1cc(C2CC2)cn1 1130566932 MWWCYSUYPZNYMP-LBPRGKRZSA-N 317.393 -0.396 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](NCC(N)=O)[C@H](c2cn(C)cn2)C1 1130583603 IFDOVXYITIMNCD-GXTWGEPZSA-N 317.393 -0.551 30 20 DBED COCC#CCNCCNC(=O)[C@H]1CN2CC3CC2(CO1)C3 1131519267 BVFDYVGFRHEIOP-NPCAHTBFSA-N 307.394 -0.795 30 20 DBED C=CCOCC(=O)N[C@H]1CC[C@H](C)N(Cc2nnnn2C)C1 1131945859 BXCFVCUDRHYCLJ-RYUDHWBXSA-N 308.386 -0.118 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1c(O)nnc(C)c1C 1132191708 RWFWPQGEIOYJAT-NSHDSACASA-N 319.365 -0.744 30 20 DBED Cc1cc(C(=O)N[C@H](C)C[C@H](C)NCC(=O)NCC#N)n[nH]1 1133865592 DLNJDKQQAGYUKE-VHSXEESVSA-N 306.370 -0.156 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@H]1CCn2c(cnc2C)C1 1133869711 JXZJSJFFTZQGOA-ZDUSSCGKSA-N 319.409 -0.238 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)C[C@H](C)NCC(=O)NCC 1134130983 OYDOMUMBSXMWAA-NWDGAFQWSA-N 310.398 -0.865 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@@H](CC(=C)C)NC(C)=O 1134812160 GIZSMTSYPGUPCR-CYBMUJFWSA-N 310.398 -0.535 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)C[C@@H](C)n1cccn1 1147097058 QOBMVGBOPUNTEA-OLZOCXBDSA-N 305.382 -0.322 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)c1cncn1C)C2 1147851475 FNXGUZWZPUNLIR-UHFFFAOYSA-N 315.377 -0.683 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)CCN(C)CC)C2 1148543148 VPCUUFWHMPGGFL-UHFFFAOYSA-N 320.437 -0.388 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@H](CC)N1CCCC1=O 1151540820 WYZZMASTNJKFMW-LBPRGKRZSA-N 310.398 -0.605 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H](C)N(CC)Cc1ccnn1C 1152883094 PCRYPDLLPYEECI-CYBMUJFWSA-N 319.409 -0.114 30 20 DBED C=CCO[C@H](C)C(=O)NCCNCC(=O)NC(=O)NCCC 1153134513 DIFYSYAQTGQFPT-LLVKDONJSA-N 314.386 -0.481 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@H]1CCCN1CCC 1159328641 VABCAKZDYHDTMX-CQSZACIVSA-N 308.426 -0.294 30 20 DBED CC(C)(C(=O)NCCCNCC(=O)NCC#N)N1CCCC1 1163832704 GAYXHMODUPXADZ-UHFFFAOYSA-N 309.414 -0.404 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)[C@H]1CCN(C)C1=O 1164295394 NNGCXYDUWBNNGO-VXGBXAGGSA-N 310.398 -0.749 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)c1coc(COC)n1 1169632715 NIDQUWDPZUSRGG-LLVKDONJSA-N 322.365 -0.332 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)CN(C)C(=O)COC)C[C@H]21 1177029036 BFHGPOFQSJSNFG-ZIAGYGMSSA-N 323.393 -0.974 30 20 DBED COCCC(=O)N1C[C@@H](C)[C@](C)(CNCC(=O)NCC#N)C1 1180333692 LFABYMPZCMLUOI-IUODEOHRSA-N 310.398 -0.263 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2cncnc2O)C1 1183521562 KIZCITPHMCNAKC-GHMZBOCLSA-N 317.349 -0.876 30 20 DBED C[C@@H]1CN(C(=O)c2cnon2)CC[C@@H]1CNCC(=O)NCC#N 1185338805 SFQYDCGFLCJPBB-GHMZBOCLSA-N 320.353 -0.603 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)c2coc(COC)n2)C1 1186673499 LBPCWLLWNNCNRN-LLVKDONJSA-N 322.365 -0.073 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@@H]1CCN(C(=O)c2cncn2C)C1 1191177953 NSARETHZKUXORV-CHWSQXEVSA-N 317.393 -0.296 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)/C=C/C2CC2)C1 1192070653 OCBYAJGHPBBPOG-OMJKLNAISA-N 305.378 -0.748 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)C2=CCCC2)C1 1192195510 KEFIUWPXHNVKEX-IACUBPJLSA-N 305.378 -0.604 30 20 DBED C#CCCCCC(=O)N[C@@H]1CN(Cc2n[nH]c(C)n2)C[C@H]1O 1192320992 PIIPKSHYCZUNKI-CHWSQXEVSA-N 305.382 -0.032 30 20 DBED CCCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)C#CC2CC2)C1 1192862125 LSPMFFPKTMCEMZ-IACUBPJLSA-N 307.394 -0.524 30 20 DBED C#CCC1(C(=O)N[C@@H]2CN(Cc3cn(C)nn3)C[C@H]2O)CCC1 1193686240 XUWFGPASAFGWTK-ZIAGYGMSSA-N 317.393 -0.330 30 20 DBED CNC(=O)CCCC(=O)N1CCCN(CC(=O)NCC#N)CC1 1195588449 IASGWUTXHKOINX-UHFFFAOYSA-N 323.397 -0.923 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CN(C)C[C@H]2C)CC1 1197158673 UBRLEEJHLYHKTA-CABCVRRESA-N 320.437 -0.532 30 20 DBED COCC#CCNC[C@H]1CN(C(=O)Cn2nccn2)CCCO1 1200598157 MZKZUNUOPLDZLZ-AWEZNQCLSA-N 321.381 -0.865 30 20 DBED C#CCNC[C@H]1CN(C(=O)COCc2nccn2C)CCCO1 1200766397 CFUYAIAWDRVHMM-AWEZNQCLSA-N 320.393 -0.223 30 20 DBED N#CCNC[C@H]1CN(C(=O)CCn2cnccc2=O)CCCO1 1201748693 LQSOJZOINLZGDY-ZDUSSCGKSA-N 319.365 -0.636 30 20 DBED C=C(C)CN(CC)C(=O)CNC1CCN(C(=O)C(N)=O)CC1 1202252100 WKMNLPZZQRBJAO-UHFFFAOYSA-N 310.398 -0.523 30 20 DBED C=CCCOCC(=O)N1CCC(NCC(=O)NCC#N)CC1 1204016243 NAHDXMVVWDBDKV-UHFFFAOYSA-N 308.382 -0.201 30 20 DBED C#CCNC(=O)CC(=O)N1CCC(CNCC(=O)NCC)CC1 1205050422 PXTGLCAGOMEDEU-UHFFFAOYSA-N 322.409 -0.910 30 20 DBED Cc1nn[nH]c1C(=O)N1CCC(CNCC(=O)NCC#N)CC1 1205838270 HBOKNZVWSKBCQU-UHFFFAOYSA-N 319.369 -0.805 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)c2ccn(C)n2)[C@H](C)C1 1211038122 FOUBWPDSLVLYDW-MBNYWOFBSA-N 317.393 -0.392 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(Cc2nnn(C)n2)C[C@H]1OC 1212187243 MVDQSTPJHLNHKC-VXGBXAGGSA-N 306.370 -0.671 30 20 DBED C#CCCCC(=O)N[C@@H]1CN([C@H](C)c2nnnn2C)C[C@H]1OC 1212187456 UCGHQIMUGVTETP-JHJVBQTASA-N 320.397 -0.110 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2ccnn2C)C[C@H]1OC 1212258763 ZWSHDWNTIZMWCC-BPLDGKMQSA-N 320.393 -0.226 30 20 DBED CCN(CCC#N)C(=O)CN1C[C@H](O)[C@H](NC(=O)CC2CC2)C1 1219089525 IQRDRHWLBVYFEA-KGLIPLIRSA-N 322.409 -0.290 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CN(Cc2nnc(C3CC3)n2C)C[C@@H]1O 1219378874 HODJXKKUZXTLSH-JLLWLGSASA-N 318.381 -0.487 30 20 DBED C=CCCCN1C[C@H](O)[C@H](NC(=O)[C@H](C)NS(C)(=O)=O)C1 1220427625 LYQFOUTVKCLGOB-TUAOUCFPSA-N 319.427 -0.948 30 20 DBED N#CCNC(=O)CN1CC[C@@H]2CN(C(=O)[C@@H]3CCOC3)[C@@H]2C1 1221387516 UCBNWUZQGPIXAG-JHJVBQTASA-N 306.366 -0.805 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CCN(C(=O)CCOC)C[C@@H]21 1222170534 PDGGTKKTLMILHJ-KGLIPLIRSA-N 307.394 -0.305 30 20 DBED C=CCN1CCC(CNC(=O)Cn2cnc(C(N)=O)n2)CC1 1223259725 QEJQIPWIUUVKJK-UHFFFAOYSA-N 306.370 -0.609 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cc[nH]n1 1224903357 XXFSHPSQPKBSHD-VXGBXAGGSA-N 303.366 -0.210 30 20 DBED C=CCCN[C@@H]1CCCC[C@H]1NC(=O)CNC(=O)CNC(C)=O 1227136939 ZRYDHAUTIYPXGF-ZIAGYGMSSA-N 324.425 -0.168 30 20 DBED C=C(C)CN(CC)C(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C(N)=O 1228278500 QWDORRVHHXKRDL-CHWSQXEVSA-N 324.425 -0.087 30 20 DBED N#CCNC(=O)CN1CCC(NC(=O)c2csc(O)n2)CC1 1228718647 UCCHCAFHCCKKBC-UHFFFAOYSA-N 323.378 -0.317 30 20 DBED C=CCOCC(=O)N(C)C[C@H]1CCN1[C@@H]1CCC(=O)NC1=O 1231241079 QJLFOBQAQVKWKB-VXGBXAGGSA-N 309.366 -0.473 30 20 DBED C=CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)[C@H]1COCCN1C 1233706842 PDIIRNQVSVECJT-ZIAGYGMSSA-N 324.425 -0.848 30 20 DBED C#CCNC(=O)CC(=O)N(C)C[C@@H]1CCN1C[C@@H]1CCOC1 1233819781 PIYRYLBTWGZGAR-KBPBESRZSA-N 307.394 -0.305 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)NCCCCn2ccnc2)CCO1 1257333041 RFLGIWSZNFDJHX-LBPRGKRZSA-N 305.338 -0.470 30 20 DBED C#CCCCCNC(=O)C(=O)N(C)[C@H](C)CS(C)(=O)=O 1322968244 GZZAXQNLVFYVGE-LLVKDONJSA-N 302.396 -0.202 30 20 DBED C[C@H](O)CN(C(=O)C(=O)N1CCC[C@@](C)(C#N)C1)[C@H](C)CO 1325083707 MKYFKRGOSDKICA-XUJVJEKNSA-N 311.382 -0.271 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)C(=O)NCCCn2ccnc2)C1 1326057943 NMVUAUKBXQWCNX-CQSZACIVSA-N 305.338 -0.734 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CCC[C@@H](OC)C2)C1=O 1327165491 SLVAXAREQRRNHQ-OLZOCXBDSA-N 323.393 -0.131 30 20 DBED C#CCNC(=O)C1CCN(C(=O)C(=O)N2CCC[C@@H](F)C2)CC1 1327366585 BWHKKYFATCZUGM-CYBMUJFWSA-N 323.368 -0.065 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N1C[C@H](C)O[C@@H](COC)C1 1328441419 XSDYOHBAWVBINB-UONOGXRCSA-N 306.362 -0.266 30 20 DBED CN1CC[C@](O)(CNC(=O)C(=O)Nc2cccc(C#N)n2)C1 1329298550 INVYHBQMQLFVDC-AWEZNQCLSA-N 303.322 -0.925 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCO[C@@H](CC)C1 1329799311 CMWSJBYESWGFGU-NSHDSACASA-N 318.395 -0.659 30 20 DBED C#C[C@H](NC(=O)C(=O)N(C)Cc1nc(C)no1)[C@H]1CCCO1 1329999875 HYDPXFIUQWVYJH-WDEREUQCSA-N 306.322 -0.367 30 20 DBED C#CCN1CCC[C@H](NC(=O)C(=O)Nc2ncncc2OC)C1 1332520915 MXRVATVXNLPFFV-NSHDSACASA-N 317.349 -0.363 30 20 DBED C=C(C)COCCNC(=O)C(=O)NC[C@H]1CC(=O)N(CC)C1 1332808247 CXSOUFYQTNDETC-GFCCVEGCSA-N 311.382 -0.320 30 20 DBED O=C(NCC#Cc1ccccc1)C(=O)N[C@H]1CCS(=O)(=O)C1 1336319835 PLZBUZNJDAKZKR-ZDUSSCGKSA-N 320.370 -0.542 30 20 DBED C=CCOCc1nnc(N2CCO[C@@H](CNC(C)=O)C2)n1C 1339752479 LUAFNAKCLJCKCL-LBPRGKRZSA-N 309.370 -0.141 30 20 DBED C=C(C)COCCNC(=O)C(=O)NCc1ccc(C(N)=O)o1 1343139855 WHKQIUIDISZFGD-UHFFFAOYSA-N 309.322 -0.296 30 20 DBED CCCN(CCCN(C)C)C(=O)C(=O)N1CCO[C@@H](C#N)C1 1344926294 WOSBZXATDUFZFK-ZDUSSCGKSA-N 310.398 -0.072 30 20 DBED Cc1nc(CNC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)cs1 1345825459 HSTMWWWEHWXLIJ-ZDUSSCGKSA-N 308.363 -0.055 30 20 DBED C#CC1(O)CCN(C(=O)N[C@H](CC)C(=O)N2CCOCC2)CC1 1346240670 XKFSZANLPHFYNM-CYBMUJFWSA-N 323.393 -0.207 30 20 DBED C#CCNC(=O)C1CCN(C(=O)[C@@H]2CN3CCN2C[C@H]3C)CC1 1346830384 BUFXONSCTRIHCU-HIFRSBDPSA-N 318.421 -0.637 30 20 DBED C=CCCn1cc(C(=O)N2CC(O)(c3nccn3C)C2)nn1 1347218909 YGEQNJOWIXEDEL-UHFFFAOYSA-N 302.338 -0.069 30 20 DBED C#CCN(C(=O)C(=O)N1CCN(CCO)C(C)(C)C1)C(C)C 1356387831 YWTGSYIESXZWRZ-UHFFFAOYSA-N 309.410 -0.228 30 20 DBED Cn1nc(C(=O)NCCn2cc(C#N)c(O)nc2=O)cc1Cl 1363485826 ZHEZEYDSZUBETL-UHFFFAOYSA-N 322.712 -0.363 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CCC[C@H](NC(=O)NC)C1 1364969388 RQEVWEGVVBJVCA-NSHDSACASA-N 317.415 -0.140 30 20 DBED C=C(Cl)CN[C@@H](C)[C@@H]1CN(C(=O)Cn2ncnn2)CCO1 1369143185 FPNWWBMQHOEARG-QWRGUYRKSA-N 314.777 -0.369 30 20 DBED CN(CCNC(=O)[C@H]1COC(=O)N1)C(=O)c1c[nH]c(C#N)c1 1373422891 CSQWJIXYWMPBIT-SNVBAGLBSA-N 305.294 -0.817 30 20 DBED N#Cc1c[nH]c(C(=O)N2CCN(Cc3nc(O)n[nH]3)CC2)c1 1374268184 OSKUCTLEYZPGAK-UHFFFAOYSA-N 301.310 -0.332 30 20 DBED C[C@@H](CNC(=O)[C@@H](C)C#N)NC(=O)c1cccc(C(N)=O)n1 1377733042 FKCVRIUSHGTIBK-IUCAKERBSA-N 303.322 -0.425 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H](C)CNC(=O)CCn1ncn(C)c1=O 1380833464 VGWYCYAHSKXAMT-GHMZBOCLSA-N 322.369 -0.905 30 20 DBED COCCc1noc(CN2CC(O)(CNC(=O)[C@@H](C)C#N)C2)n1 1393305457 RVNKRTZGONGSOA-JTQLQIEISA-N 323.353 -0.919 30 20 DBED COCC(=O)N(C)CC(=O)NC[C@H]1CCCN1C(=O)[C@@H](C)C#N 1399280602 RBSYCQUJNIQAOU-NWDGAFQWSA-N 324.381 -0.642 30 20 DBED C=C(Br)CN1CC(O)(CNC(=O)CNC(C)=O)C1 1402274905 CHHHLGGQZLGFDQ-UHFFFAOYSA-N 320.187 -0.806 30 20 DBED COc1cc(OC)nc(C(=O)N(C)CCNC(=O)[C@H](C)C#N)n1 1408674040 NVVDAIHJHHCHKD-SECBINFHSA-N 321.337 -0.158 30 20 DBED C[C@H](C(=O)N[C@H]1CCCN(CCCO)C1)n1cnc(C#N)n1 1412975127 FQFIHDXGNOWKCY-NEPJUHHUSA-N 306.370 -0.326 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1C[C@H](NCC(=O)N2CCO[C@H](C)C2)C1 1418690963 XPXMKCGNJDUXRJ-CRWXNKLISA-N 322.409 -0.122 30 20 DBED C[C@H](NC1(CNC(=O)[C@H](C)C#N)CCCC1)C(=O)NC(N)=O 1421811672 DIURHVJGXPELEY-ZJUUUORDSA-N 309.370 -0.252 30 20 DBED C=C(Cl)CNC[C@H](C)NC(=O)CCn1ncn(C)c1=O 1422684471 YWSFDIPCPCVPRA-JTQLQIEISA-N 301.778 -0.181 30 20 DBED CC(=O)N1CC(C(=O)NC[C@H]2C[C@@H](NC(=O)[C@H](C)C#N)C2)C1 1429074665 HJSKMDCHUMBJAI-XWIASGKRSA-N 306.366 -0.365 30 20 DBED COc1ccc(CC(=O)NC[C@@H](O)CNC(=O)[C@H](C)C#N)nc1 1431566251 KMMNRHQEFWVVCC-ZYHUDNBSSA-N 320.349 -0.614 30 20 DBED CCC[C@](C)(NC(=O)Cn1cc(C#N)c(O)nc1=O)C(=O)OC 1433619411 CHEWMOIRVOOPMD-AWEZNQCLSA-N 322.321 -0.331 30 20 DBED N#C[C@@H]1CN(C(=O)c2nc(O)nc(O)c2N)CCN1C1CC1 1438407978 CTQPAUXWBRIOSF-MRVPVSSYSA-N 304.310 -0.718 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1cc(Cl)no1 1452402334 CEBUAHJPCRTZFB-NKWVEPMBSA-N 300.702 -0.305 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)c2cn(C)c(=O)nc2O)CC1 1453540972 SLMOAYHUYUMRMT-QMMMGPOBSA-N 319.321 -0.976 30 20 DBED CC[C@@H](CNC(=O)c1cnnn1C)NC(=O)c1ccc(C#N)[nH]1 1456780871 JXNNIOVOMZAMBJ-VIFPVBQESA-N 315.337 -0.047 30 20 DBED Cn1c(=O)[nH]c(NCc2nc(C(F)(F)F)no2)c(C#N)c1=O 1458281669 FWRXGSDNXHGCRP-UHFFFAOYSA-N 316.199 -0.041 30 20 DBED CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1cccc(C#N)n1 1461988431 QFGSLIHXLVEQIY-CYBMUJFWSA-N 322.390 -0.312 30 20 DBED CCN(CCC#N)C(=O)CN1CC[C@@H](CS(N)(=O)=O)C1 1473850481 RKUJQCOSWUETBR-LLVKDONJSA-N 302.400 -0.641 30 20 DBED COCC#CCN1CC[C@H](NC(=O)[C@H]2CCCN(C(N)=O)C2)C1 1479958369 QNSDZVWKEOAVDA-KBPBESRZSA-N 322.409 -0.383 30 20 DBED Cc1nnc(CC(=O)N(C)C[C@H](O)CNC(=O)[C@H](C)C#N)o1 1511532289 MBYVWFNXSDJUAZ-PSASIEDQSA-N 309.326 -0.984 30 20 DBED C#Cc1cncc(C(=O)N[C@@H](C)[C@@H](C)NC(=O)CNC(=O)O)c1 1573313172 DNPUMTGGAINZKS-ZJUUUORDSA-N 318.333 -0.047 30 20 DBED C#CCn1ccc(CN(CCOC)S(=O)(=O)C2CNC2)n1 1574760091 UROYCNXEAXSGNN-UHFFFAOYSA-N 312.395 -0.734 30 20 DBED CCN(CCNC(=O)CCOCc1cnn[nH]1)C(=O)[C@H](C)C#N 1576532850 HUBFULCPDUXSEN-LLVKDONJSA-N 322.369 -0.164 30 20 DBED C=C(C)C[C@@H](NS(=O)(=O)N1CCO[C@H](C#N)C1)C(=O)O 1588555754 RJBRJCKGNILRDE-NXEZZACHSA-N 303.340 -0.535 30 20 DBED C[C@]1(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCN(CC#N)C1 1590145704 VAGDLCIFSYUEKJ-ZDUSSCGKSA-N 300.326 -0.087 30 20 DBED N#CC1(NC(=O)CNC(=O)c2ccc(-c3nn[nH]n3)cc2)CC1 1592670638 IYWHCCNYCWNMSE-UHFFFAOYSA-N 311.305 -0.231 30 20 DBED N#Cc1cccc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)O)n1 1601114572 DVWCPYUVJWIPPU-JTQLQIEISA-N 309.303 -0.723 30 20 DBED N#Cc1csc(CNC(=O)CN2CCC[C@H](C(=O)O)C2=O)n1 1601132087 FOMWKFPJWDSBOP-VIFPVBQESA-N 322.346 -0.046 30 20 DBED C#C[C@H](CO)NC[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 1602687567 CQOHSWPDBPLZLW-NEPJUHHUSA-N 303.322 -0.810 30 20 DBED C=CCOC(=O)CNS(=O)(=O)c1ccccc1-c1nn[nH]n1 1602866556 DNELBXAOQYJIAA-UHFFFAOYSA-N 323.334 -0.126 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N1CCO[C@@H](CC(=O)O)C1 1604059451 FSGMVQFZLDMNAT-UWVGGRQHSA-N 305.356 -0.359 30 20 DBED CCN(CCC#N)S(=O)(=O)N[C@H](CC(=O)O)C(=O)OC 1605438772 NYGJHIOZXZMBBC-MRVPVSSYSA-N 307.328 -0.927 30 20 DBED N#Cc1nc(NC[C@@H]2C[C@@H]3COC[C@@H]3O2)cnc1-c1nn[nH]n1 1606393498 WPKHRYDJVPHHNC-WEDXCCLWSA-N 314.309 -0.256 30 20 DBED C[C@H](CC#N)NC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 1649699539 GKIRHWBAIGBTAV-GMTAPVOTSA-N 313.379 -0.560 30 20 DBED COCCn1c(CO)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1650432264 ZMZGNXATLQFLRG-GFCCVEGCSA-N 306.370 -0.407 30 20 DBED C=CCNC(=O)CNC[C@H]1CCCN1C(=O)C1(C(=O)NC)CC1 1732328619 NFNZGRZCGMSZQP-GFCCVEGCSA-N 322.409 -0.605 30 20 DBED COCCN1C[C@H](C(=O)N2CC[C@@H](CNCC#N)C2)CC1=O 1752938319 PESXSTWCCJCKTD-QWHCGFSZSA-N 308.382 -0.557 30 20 DBED C#CCNC(=O)CNC[C@](C)(NC(=O)[C@H](C)NC(C)=O)C1CC1 1753512821 DBSHYRRYTUPIRF-ZBEGNZNMSA-N 322.409 -0.865 30 20 DBED CN(CCN(C)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1)CC(=O)NCC#N 1753855146 MRMJMXKPDDEJRM-VXGBXAGGSA-N 318.381 -0.457 30 20 DBED CC[C@@H]1OCC[C@H]1C(=O)N[C@H](C)CCNCC(=O)NCC#N 1753986487 MLPIWZRTFIJSCW-UPJWGTAASA-N 310.398 -0.074 30 20 DBED C#CCCN1CCC(F)(F)[C@H](CNC(=O)Cn2ncnn2)C1 1754743661 PKCZSAXSKROVEO-LLVKDONJSA-N 312.324 -0.230 30 20 DBED C#CCN1CCC[C@@](CO)(NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 1754857854 PSFFXLOFSNEGGC-DVOMOZLQSA-N 307.394 -0.536 30 20 DBED N#CCNCCN(CCO)C(=O)Cc1ccc2c(c1)OCCO2 1754897055 BLGUPRANXYUIDG-UHFFFAOYSA-N 319.361 -0.066 30 20 DBED Cc1c[nH]c(C(=O)NCC2(NCC(=O)NCC#N)CCC2)n1 1754988286 YAOIKTYKWMLJMD-UHFFFAOYSA-N 304.354 -0.400 30 20 DBED CC(C)C#CC(=O)N[C@H]1COC2(C1)CN(CCn1cncn1)C2 1755060774 ATIBAUGTWBTTBF-CQSZACIVSA-N 317.393 -0.103 30 20 DBED COCC#CCN1CC2(C[C@@H](NC(=O)Cc3cnc[nH]3)CO2)C1 1755063225 IIDYPDUBFJUMQB-CQSZACIVSA-N 318.377 -0.439 30 20 DBED N#CCN1CCC(CO)(NC(=O)c2cnc3nccn3c2)CC1 1755178490 GAETWMKUCMNHQM-UHFFFAOYSA-N 314.349 -0.190 30 20 DBED CN(CC(=O)NCC#N)C[C@@H]1CCCN1C(=O)c1cc[nH]n1 1755188846 DHEURHIXSFIWFD-NSHDSACASA-N 304.354 -0.414 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)CCNC(=O)COC)C2)C1 1755402381 RFNVRFQWSBSWBM-INIZCTEOSA-N 323.393 -0.924 30 20 DBED C#CCN[C@H](C)[C@H]1CN(C(=O)C(C)(C)N2CCOCC2)CCO1 1755462640 XVIPAUXPBUTDHC-HUUCEWRRSA-N 323.437 -0.064 30 20 DBED C=CCN1CC[C@H](N[C@@H](C)CN(C)C(=O)c2cn(C)nn2)C1=O 1755585437 PXSFJRKVRIMHQB-RYUDHWBXSA-N 320.397 -0.348 30 20 DBED C#CCNC(=O)CNC[C@@H](NC(=O)c1cnnn1C)C(C)(C)C 1755824213 VPQJZKNNXFPWRM-GFCCVEGCSA-N 320.397 -0.701 30 20 DBED CCOc1cc(C(=O)NC[C@H](CO)NC(=O)C#CC2CC2)on1 1756535834 JGDWQJAYBRUGHK-LLVKDONJSA-N 321.333 -0.306 30 20 DBED Cc1nonc1C(=O)N1C[C@@H](O)[C@H](NC(=O)C#CC(C)(C)C)C1 1756993638 JFQUPPAZXUJQRF-GHMZBOCLSA-N 320.349 -0.271 30 20 DBED C=CCCCC(=O)N1C[C@H](O)[C@H](NC(=O)[C@@H]2CCC(=O)N2C)C1 1757200711 KHTXOWYEWGXYEH-AGIUHOORSA-N 323.393 -0.349 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H]1CN(C)C(=O)c1cocn1 1757279070 SZOCUVMRTXNWKO-LLVKDONJSA-N 318.333 -0.513 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H]1CCN(C(=O)Cc2nc[nH]n2)[C@@H]1C 1757511596 CRKCVMWLYKJJSK-UTUOFQBUSA-N 319.365 -0.509 30 20 DBED COc1ccc(C=NN[C@@H]2COC[C@H]2O)c(OCC(=O)O)c1 1776108981 ODBXMUAOVIRPPY-VXGBXAGGSA-N 310.306 -0.158 30 20 DBED N#CCCC(=O)N1CCC2(CCCN(C(=O)[C@@H](N)CN)C2)CC1 1810852513 FJJYTXBZWICTBH-ZDUSSCGKSA-N 321.425 -0.193 30 20 DBED CC(C)(C#N)C(=O)N1CCCC12CN(C(=O)COCCO)C2 1841138183 RNUGTNDPQSHCRQ-UHFFFAOYSA-N 309.366 -0.252 30 20 DBED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)C(N)=O)cc1 42004230 SAMYWTGRRZVVCU-SECBINFHSA-N 309.347 -0.798 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(Cc2nnc(C)o2)c1=O 96956356 QTAZEWSAQCFWEA-UHFFFAOYSA-N 305.294 -0.717 30 20 DBED C[C@H]1CCCCN1C/C(N)=N/OCc1cc(=O)n(C)c(=O)n1C 171891427 XTPWLKFBPHTUDB-NSHDSACASA-N 323.397 -0.253 30 20 DBED COC(=O)C[C@@H]1C(=O)NCCN1C[C@H](O)c1ccc(C#N)cc1 268652263 GTYFFAXZGZZDJS-KGLIPLIRSA-N 317.345 -0.045 30 20 DBED C=C(C)CS(=O)(=O)N1CCS(=O)(=O)C[C@H]1C(=O)OC 280481203 ALFHJRUZFAQKHY-VIFPVBQESA-N 311.381 -0.836 30 20 DBED C=CCNC(=O)[C@@H](C)S(=O)(=O)c1nc(C(=O)OC)c[nH]1 285037518 GNWIJOIXQOIMDX-SSDOTTSWSA-N 301.324 -0.339 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCCN(C)C2CC2)C1=O 285220355 XLWAOKRLVRHUPY-ZDUSSCGKSA-N 322.409 -0.558 30 20 DBED CN(C)[C@@H]1CCN(/C(O)=N/C[C@H]2CCN(S(C)(=O)=O)C2)C1 328763320 ZJNGLOLUQROVQA-VXGBXAGGSA-N 318.443 -0.182 30 20 DBED C=CCN1CC[C@@H](N(C)[C@H]2CCN(S(C)(=O)=O)C2)C1=O 330275289 LHAYVAOLIRRYEH-NWDGAFQWSA-N 301.412 -0.261 30 20 DBED CCCCN(C(=O)CN/C(O)=N/C)[C@@H]1CCS(=O)(=O)C1 330499852 LIRFHCIPKGNPKJ-SNVBAGLBSA-N 305.400 -0.064 30 20 DBED COC[C@H](C)/N=C(/O)NC(=O)CN1C[C@H](C)O[C@H](CO)C1 330983796 QGWCOYLNKJQDRI-DCAQKATOSA-N 303.359 -0.867 30 20 DBED COCCN1CN(S(=O)(=O)CC2(CC#N)CC2)CC1=O 333707467 PFVBMCJQGAIJJP-UHFFFAOYSA-N 301.368 -0.242 30 20 DBED CCOC(=O)C[C@H](C)CNS(=O)(=O)N1CCO[C@@H](C#N)C1 336887754 HEDNUFJAIXOJNL-QWRGUYRKSA-N 319.383 -0.366 30 20 DBED COCCN1CCN(S(=O)(=O)N(C)[C@@H](C)CC#N)CC1=O 337765211 MGUBPFCUCGHIMX-NSHDSACASA-N 318.399 -0.744 30 20 DBED NC(=O)Cn1cc(C(=O)NCC#Cc2cccc(F)c2)nn1 338154282 QCDIKXXVFDHAEI-UHFFFAOYSA-N 301.281 -0.316 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@H]3[C@@H](O)CC[C@H]3C2)C1=O 345499528 SXTCMICDLMVEJK-AXFHLTTASA-N 321.333 -0.808 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC[C@@H](C)COC)C1=O 355042913 GMAMOOQDFZSLBQ-VXGBXAGGSA-N 311.382 -0.370 30 20 DBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CS(C)(=O)=O 362640581 GNQIELYVGSCOKB-JTQLQIEISA-N 323.378 -0.570 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCSC[C@@H]1C(N)=O 407951861 DGULIVDDLSSMON-DTWKUNHWSA-N 306.413 -0.775 30 20 DBED C=C(C)CN1CCC(NC(=O)C(=O)N2CCN[C@H](C)C2)CC1 419726102 JNCPFVDQJMWGPZ-CYBMUJFWSA-N 308.426 -0.037 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N1C[C@H](C)N(CCO)[C@H](C)C1 451886867 FADNLVNNTKPOMZ-UPJWGTAASA-N 318.443 -0.290 30 20 DBED C=CCOC[C@@H](NC(=O)[C@@H]1CSCN1C(C)=O)C(=O)O 455924913 YVVVWFBHLVAAJU-ZJUUUORDSA-N 302.352 -0.320 30 20 DBED C#CCN1CCN(C(=O)CN2CCN(C[C@H](C)O)C[C@H]2C)CC1 491143588 GLEDBWAWWXZXCU-CVEARBPZSA-N 322.453 -0.849 30 20 DBED C#CCNC(=O)C1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 491155893 WHIKXMUBISNVGF-UHFFFAOYSA-N 304.310 -0.067 30 20 DBED Cc1nn(C)c(N2CCN(C(=O)[C@H]3CCC(=O)N3)CC2)c1C#N 530363974 CZDWQFJJTLJIRC-GFCCVEGCSA-N 316.365 -0.473 30 20 DBED N#C[C@H]1CN(S(=O)(=O)N2CC[C@@H](CCCO)C2)CCO1 571537392 IDSCOBIFSUYLDX-NEPJUHHUSA-N 303.384 -0.450 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N(C)C1(C(=O)O)CCOCC1 583567552 CPSGYSGZHAEDGL-JTQLQIEISA-N 319.383 -0.112 30 20 DBED CN1CCN(C(C)(C)CNC[C@H](O)CN(C)CCC#N)CC1 591739246 DABHVUMJCBXZSL-HNNXBMFYSA-N 311.474 -0.192 30 20 DBED CN(Cc1cn(CC(C)(CO)CO)nn1)c1cnc(C#N)cn1 594648592 AETAMMUNDIWOJW-UHFFFAOYSA-N 317.353 -0.433 30 20 DBED N#Cc1ccc(N2CC[C@H](C(=O)NC[C@H](O)C(N)=O)C2)c(F)c1 597587238 WQQSCIGDIIBRRQ-GWCFXTLKSA-N 320.324 -0.514 30 20 DBED N#CCCN1CCN(C(=O)Cn2nc3n(c2=O)CCCC3)CC1 602201033 WWHVZMZTHCIKHK-UHFFFAOYSA-N 318.381 -0.561 30 20 DBED CN(C)C(=O)Cn1ccc(NC(=O)N2CCO[C@H](C#N)C2)n1 609282228 ODZARMBLINJLBP-SNVBAGLBSA-N 306.326 -0.272 30 20 DBED CC1(C)CN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CCCO1 619710040 QYACADMUMRCAGS-NSHDSACASA-N 303.384 -0.044 30 20 DBED CS(=O)(=O)NC1CC(NC(=O)N2CCO[C@@H](C#N)C2)C1 619825962 MJOITCCUCGROQI-RTBKNWGFSA-N 302.356 -0.999 30 20 DBED C=C(CNC(=O)N1CCOCC1)CNC(=O)N1CCOCC1 660129581 RXUMSMPYPDTDTB-UHFFFAOYSA-N 312.370 -0.374 30 20 DBED C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)OCC#N 762935917 HRGWDGQPDZJFTE-QMMMGPOBSA-N 311.319 -0.481 30 20 DBED COC[C@@H](C#N)OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 784957471 LRWPOAKEOBQRRE-LLVKDONJSA-N 323.330 -0.082 30 20 DBED N#CCc1cccc(S(=O)(=O)NC[C@H]2CC(C(N)=O)=NO2)c1 795176017 QFALPBKOTBRBSE-SNVBAGLBSA-N 322.346 -0.339 30 20 DBED C#CCC[C@H](O)CNC(=O)N[C@@H]1CCOC[C@H]1OCCOC 798460955 LBEPVVKTICOUHY-BFHYXJOUSA-N 314.382 -0.120 30 20 DBED COC(=O)C[C@@H](NS(=O)(=O)N1CCO[C@@H](C#N)C1)C1CC1 800076549 QXVVPPJCNZIFLB-WDEREUQCSA-N 317.367 -0.613 30 20 DBED C=C(CO)C(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F 804273752 VYOAFZGHPVUHLQ-ZETCQYMHSA-N 304.290 -0.527 30 20 DBED C#CCCN1CCC(NC(=O)C2=NN3CCCN=C3N2)CC1 828477572 FCYGYYUAJNLSMG-UHFFFAOYSA-N 302.382 -0.431 30 20 DBED C#C[C@H](NC(=O)C(=O)N(CCC)[C@H]1CCNC1)[C@@H]1CCCO1 842163400 LZSLPGNYCONFPR-IHRRRGAJSA-N 307.394 -0.116 30 20 DBED C#Cc1ccccc1CC(=O)NCCOCCS(N)(=O)=O 857255023 HWJRIKQEKSPLFP-UHFFFAOYSA-N 310.375 -0.368 30 20 DBED C#C[C@@](C)(CC)NCC(=O)NC1CCN(S(C)(=O)=O)CC1 878660068 CTFHKGLPIJNWOG-AWEZNQCLSA-N 315.439 -0.082 30 20 DBED C#C[C@@H](NC(=O)CN1CCCCS1(=O)=O)[C@@H]1CCCO1 879537692 HQQSIRRYYJYMJR-NEPJUHHUSA-N 300.380 -0.291 30 20 DBED C#CCN1CCC[C@@H](NC(=O)NCCS(=O)(=O)CC)C1 884130031 XDUWNTVTQOEOSR-GFCCVEGCSA-N 301.412 -0.182 30 20 DBED O=C(NCC#CCO)NC[C@H](O)COc1ccc(F)c(F)c1 923779288 GFMWGEYQKAOLGO-JTQLQIEISA-N 314.288 -0.001 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](N(C)C(=O)CN2C(=O)CCC2=O)C1 939406632 RWGMXPBIXGDSFR-WDEREUQCSA-N 320.349 -0.646 30 20 DBED C=C(Cl)CN[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)C[C@H]1C 939697648 QDKIMEINCHXPSR-PSASIEDQSA-N 314.773 -0.273 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCN(C(=O)c3nnn(C)n3)CC2)C1 945011212 ODZHGRURRSTSOY-SNVBAGLBSA-N 317.353 -0.566 30 20 DBED C[C@@H]1C[C@H](NC(=O)CN2CCN(C)C(=O)C2)CCN1CC#N 947463994 PILDMTARYLZQPM-CHWSQXEVSA-N 307.398 -0.747 30 20 DBED CC(C)c1nnnn1CC(=O)N(C)C1CN(C(=O)[C@H](C)C#N)C1 954377212 ZGEYCQVDQFWDPY-SNVBAGLBSA-N 319.369 -0.375 30 20 DBED C[C@@H](C(=O)N(C)C1CN(C(=O)C#CC2CC2)C1)N1CCOCC1 954736132 JBIVAUFBIVCWGD-ZDUSSCGKSA-N 319.405 -0.210 30 20 DBED C[C@@H](C#N)C(=O)N1CC(N(C)C(=O)[C@@H]2CCNC(=O)CC2)C1 954852903 PHYQHPXNTOCBMR-QWRGUYRKSA-N 306.366 -0.268 30 20 DBED C#Cc1ccc(C(=O)N2CCN(CCS(C)(=O)=O)CC2)nc1 957378931 PLAJLUJMNLFOHN-UHFFFAOYSA-N 321.402 -0.135 30 20 DBED C#CCCN1C[C@H](O)[C@H](CNC(=O)c2cnn(CCF)c2)C1 958196291 SUOSHDSCFZUILF-OCCSQVGLSA-N 308.357 -0.102 30 20 DBED N#CCN1C[C@H](CNC(=O)c2cnc3n2CCCC3)[C@@H](O)C1 958345657 QDMLGKBQGZAEPT-AAEUAGOBSA-N 303.366 -0.235 30 20 DBED CCn1cc(CC(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2C)nn1 958372204 CWDQUVNPANIWSX-NQBHXWOUSA-N 318.381 -0.037 30 20 DBED C#CCCN1C[C@@H](O)[C@@H](CNC(=O)c2ccc(C(N)=O)s2)C1 958477250 WXVPYENCQSPPPP-WDEREUQCSA-N 321.402 -0.107 30 20 DBED Cc1nccc(C(=O)N(C)[C@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)n1 958853376 ZUXOJRLXUQHJBU-XDTLVQLUSA-N 317.349 -0.412 30 20 DBED C=C(C)CCN1C[C@@H]2C(NC(=O)CN3CCN(C)C(=O)C3)[C@H]2C1 960661508 OYQIIPJZGXFFHA-KBPBESRZSA-N 320.437 -0.227 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CN(C(=O)[C@H]3COC(=O)N3)C[C@H]2C1 961490108 LBCATCHTARTMGC-UKKRHICBSA-N 306.322 -0.829 30 20 DBED Cc1nc(C)c(CC(=O)N[C@H]2[C@@H]3CN(CC#N)C[C@@H]32)c(O)n1 962542814 HLKQIEQKGODBMR-IMRBUKKESA-N 301.350 -0.088 30 20 DBED C[C@H](C#N)C(=O)N1CC2(C[C@H](NC(=O)Cn3cccn3)CO2)C1 965615961 HUSRNXWSHAYCIU-NEPJUHHUSA-N 317.349 -0.471 30 20 DBED CCN(C(=O)[C@H]1COCCN1C)C1CN(C(=O)[C@@H](C)C#N)C1 967886443 KLPXJRAAPJRSKW-WCQYABFASA-N 308.382 -0.464 30 20 DBED CCN(C(=O)[C@@H]1CC(=O)N(C)C1)C1CN(C(=O)[C@H](C)C#N)C1 968047457 RBGNFEQCRHNYBA-GHMZBOCLSA-N 306.366 -0.316 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](NCc2nnnn2C)C1 970240347 YPWLTTOVAKAKFG-DYEKYZERSA-N 320.397 -0.118 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@@H](NCc3nc(O)n[nH]3)C2)nc1 970518476 PRERWKAEWVQZPN-LLVKDONJSA-N 312.333 -0.109 30 20 DBED C=C(Cl)CN[C@@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 970742413 YNSLPNVMOYOKKD-ZJUUUORDSA-N 307.803 -0.379 30 20 DBED C#CCN(C)[C@@H]1CCN(C(=O)Cn2nc3ccccn3c2=O)C1 972043982 FOBXPSPYFIZXQD-CYBMUJFWSA-N 313.361 -0.338 30 20 DBED CC#CCN1CCO[C@@]2(CCN(C(=O)[C@@H]3COCCN3C)C2)C1 972348005 DRHIPHKZXCDCGZ-RDJZCZTQSA-N 321.421 -0.356 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)Cc3nonc3C)C2)C1 972617713 SBNPWYDEWUKQOY-OAHLLOKOSA-N 304.350 -0.143 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H]2[C@H](NC(=O)[C@@H]3CCNC3=O)[C@H]2C1 976955173 NYKHNHQORVWLGK-WYUUTHIRSA-N 305.378 -0.092 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2[C@H](NC(=O)c3nc[nH]n3)[C@H]2C1 976984285 HBKLZMDLMMPEEI-GCHJQGSQSA-N 317.349 -0.418 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]1CN(C)C(=O)c1cc(=O)n(C)o1 977637896 JEIRCLDTUUJVTP-NXEZZACHSA-N 306.322 -0.189 30 20 DBED CCn1nc(C(=O)NCC2[C@H]3CN(CC#N)C[C@H]23)ccc1=O 978863737 DXJXQACEYCADRO-VXGBXAGGSA-N 301.350 -0.306 30 20 DBED CC#CCN1CCCN(C(=O)C2CC3(C2)NC(=O)NC3=O)CC1 982173023 YKUHWRWYTCZXPL-UHFFFAOYSA-N 318.377 -0.468 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@@H](CNC(=O)c3cnn[nH]3)C2)c1 982603955 QAKXUDVVMZTNSF-VIFPVBQESA-N 313.321 -0.103 30 20 DBED C#CCN1C[C@@]2(C)CN(C(=O)CN3C(=O)CCC3=O)C[C@@]2(C)C1 982793441 YSPPWFYDBFDAGO-CALCHBBNSA-N 317.389 -0.061 30 20 DBED N#CCN1CCCN(C(=O)c2cn(C[C@H]3CCOC3)nn2)CC1 983090745 JKCBSVNZEBDSRM-CYBMUJFWSA-N 318.381 -0.014 30 20 DBED C[C@H]1[C@H](NCc2nnnn2C)CCN1C(=O)c1c[nH]c(C#N)c1 986179722 ZWXPQXOHOOGXPT-JOYOIKCWSA-N 314.353 -0.197 30 20 DBED C#CCCN1CCCN(C(=O)CN2CC(=O)N(C)C2=O)CC1 989472246 GQMOWNHTJFVPSX-UHFFFAOYSA-N 306.366 -0.562 30 20 DBED Cc1nonc1C(=O)N[C@@H]1CCN(C(=O)C#CC2CC2)C[C@H]1O 991570772 KMQPDCZJZOMNTK-VXGBXAGGSA-N 318.333 -0.517 30 20 DBED C=CCn1cc(C(=O)NC2CN(C(=O)[C@H]3CCO[C@H]3C)C2)nn1 991673037 IMMIXBJNHNZDBL-JQWIXIFHSA-N 319.365 -0.170 30 20 DBED C=CCn1cc(C(=O)NC2CN(C(=O)[C@H]3C[C@@H](C)CO3)C2)nn1 991673888 QJDSMLNNYDORHQ-ZWNOBZJWSA-N 319.365 -0.170 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN(C(=O)c2ccon2)C1 994751006 KVHLZULQYFCPIC-ZDUSSCGKSA-N 302.334 -0.287 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2cn(C)c(=O)n(C)c2=O)CC1(C)C 996372144 CHNMHXMRWCRCCH-GFCCVEGCSA-N 318.377 -0.843 30 20 DBED Cn1cc(C(=O)N2C[C@@H](NCC#N)C(C)(C)C2)c(O)nc1=O 996603350 FWDXVCTXJHGZBU-SNVBAGLBSA-N 305.338 -0.550 30 20 DBED C=C(C)C(C)(C)C(=O)N1CC(NC(=O)c2nnc(O)nc2O)C1 996743579 HTPPKKXIVKXCAS-UHFFFAOYSA-N 321.337 -0.174 30 20 DBED O=C1NCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C#CC1CC1 999122316 CRCNZOXVXFMTRQ-MQYQWHSLSA-N 315.373 -0.216 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)[C@@H]2CCc3nnnn3CC2)C1 1000325267 CVKYTEMGAADCBE-VHSXEESVSA-N 317.353 -0.888 30 20 DBED C#CCN[C@H]1CCCN(C(=O)Cn2ncn3nccc3c2=O)C1 1000370840 SJNHFEQXLVHMLH-LBPRGKRZSA-N 314.349 -0.895 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@@H]2CCOC2)C1 1001128162 DVJGEQTVWSEPPS-CABCVRRESA-N 319.405 -0.305 30 20 DBED C=CCn1cc(C(=O)NCC2CN(C(=O)[C@H]3CCCO3)C2)nn1 1001965885 DONVHZCGGAJKGV-CYBMUJFWSA-N 319.365 -0.169 30 20 DBED CCN1CCO[C@@H](C(=O)NCC2CN(C(=O)C#CC3CC3)C2)C1 1002290328 JYFKYAZACSDFEW-OAHLLOKOSA-N 319.405 -0.305 30 20 DBED C=CCn1cc(C(=O)N2CCN(C(=O)[C@H](O)C(C)C)CC2)nn1 1011084298 BURNZKJLLLZMBH-CYBMUJFWSA-N 321.381 -0.235 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cccc(OCC(N)=O)c2)C1 1014615882 FTCFNUVUAMHLTB-ZDUSSCGKSA-N 301.346 -0.012 30 20 DBED C[C@H]1[C@@H](NC(=O)C(N)=O)CCCN1C(=O)c1c[nH]c(C#N)c1 1015179556 QECCURDZTNTTHO-KWQFWETISA-N 303.322 -0.519 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)C2(n3cnnn3)CCOCC2)C1 1015821757 AHEXXKKKHGWBOQ-ZDUSSCGKSA-N 320.397 -0.055 30 20 DBED CC#CCN1CC[C@H](NC(=O)C2(n3cnnn3)CCOCC2)C1 1015823690 XBWIHSSBZLSNGK-ZDUSSCGKSA-N 318.381 -0.607 30 20 DBED C#CCN[C@H]1CCN(C(=O)C2(n3cnnn3)CCOCC2)C1 1019495710 CDAJJWLRBQQROY-LBPRGKRZSA-N 304.354 -0.998 30 20 DBED Cn1[nH]c(CN[C@H]2C[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)nc1=O 1020084491 CQEAUFXLRQLSHT-MGCOHNPYSA-N 315.337 -0.641 30 20 DBED C=C(C)CN[C@H]1C[C@@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)C1 1023130591 VQWNNJGFNBNAQY-TXEJJXNPSA-N 320.397 -0.207 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2CCCN([C@@H](C)C(N)=O)C2)nn1 1023638153 YNLOARQGHZIMKT-NWDGAFQWSA-N 320.397 -0.220 30 20 DBED CC(=O)N1CCOC[C@H]1C(=O)NC[C@@H]1CCCN(CC#N)C1 1023757519 IRZRYLXALRFJFO-KBPBESRZSA-N 308.382 -0.415 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)Cn3ccnc3)C[C@H]2O)C1 1025549040 WOQQJAPSSKPZNL-CHWSQXEVSA-N 318.377 -0.073 30 20 DBED C#CCN[C@@H]1CC[C@@H]2CN(C(=O)Cn3ncn(C)c3=O)C[C@H]21 1026298695 SNKYVBSOJDESTC-JHJVBQTASA-N 303.366 -0.958 30 20 DBED Cn1cc(C(=O)N2C[C@@H]3CC[C@H](NCC#N)[C@H]3C2)n(C)c1=O 1026429078 QZVRUPOUWSGVKN-SRVKXCTJSA-N 303.366 -0.312 30 20 DBED CN1CCN(CC(=O)N2CCC[C@H](N(C)CC#N)C2)CC1=O 1027471428 STACWHHSNZLSGN-ZDUSSCGKSA-N 307.398 -0.793 30 20 DBED C#CCN1CC[C@@H](CNC(=O)[C@@H]2CCc3nnn(C)c3C2)C1 1028764273 BYKVSHUBWPLIQS-QWHCGFSZSA-N 301.394 -0.009 30 20 DBED C=C(C)CN1[C@H]2CC[C@H]1CN(C(=O)Cn1ncn(C)c1=O)C2 1029369544 JZZQWQKDPKSHEZ-STQMWFEESA-N 305.382 -0.167 30 20 DBED N#Cc1cc(C(=O)NC2CN(C[C@H]3CCS(=O)(=O)C3)C2)c[nH]1 1030234781 GPLLUEVATALDJT-SNVBAGLBSA-N 322.390 -0.265 30 20 DBED C=CCCn1cc(C(=O)NC2CN(Cc3cnnn3C)C2)nn1 1031075846 XBGMIOGWPLRFBZ-UHFFFAOYSA-N 316.369 -0.403 30 20 DBED C=C(Cl)CN1CC(NC(=O)[C@H]2COCCN2C(C)=O)C1 1031408379 KDVBAQAGWYGGJV-GFCCVEGCSA-N 301.774 -0.213 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CC(=O)N(C)C 1032453254 SVLVOECTPMLOAQ-KKUMJFAQSA-N 318.421 -0.543 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN([C@@H](C)C(=O)N(C)C)C1 1032827200 WLRQYEUZJLGXAO-KKUMJFAQSA-N 320.437 -0.249 30 20 DBED C#CCCN1CC[C@H](N(C)C(=O)[C@H]2COCCN2C(C)=O)C1 1033677244 YRZYTKAQVBXNOU-LSDHHAIUSA-N 307.394 -0.210 30 20 DBED CNC(=O)CN1CCO[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 1035327283 USKXRPODFGBFKY-NSHDSACASA-N 305.338 -0.937 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CN(CC(=O)NC)CCO1 1035511635 XFUMRFDPWJMVDX-UPJWGTAASA-N 311.382 -0.860 30 20 DBED N#CCN1CCO[C@H](CNC(=O)c2cn(CC3CC3)nn2)C1 1035561523 QEZUUXHLPXXWIE-GFCCVEGCSA-N 304.354 -0.358 30 20 DBED C#CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)c1nc(OC)cc(OC)n1 1037467914 JKIOJPVMIDSTMK-NRUUGDAUSA-N 302.334 -0.071 30 20 DBED N#CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1cccc(-n2cnnn2)c1 1037711480 KWUOPIAJDXFAQH-KWCYVHTRSA-N 309.333 -0.012 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2CCN2CC(=O)N(C)C)cn1 1038931853 KPVNBNXSJAMKPG-CQSZACIVSA-N 300.362 -0.045 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@]1(O)CCN(C(=O)c2ccon2)C1 1039576850 YOTIZISVVUGBNC-GJZGRUSLSA-N 323.349 -0.305 30 20 DBED C#CCC1(C(=O)NC[C@@]2(O)CCN(C(=O)CC(N)=O)C2)CCC1 1040060452 UFCJERXHRHBAMK-INIZCTEOSA-N 321.377 -0.865 30 20 DBED C#CCCCC(=O)N1CC[C@@](O)(CNC(=O)Cc2ncc[nH]2)C1 1040695194 PRGJLBHJKBHDPG-MRXNPFEDSA-N 318.377 -0.165 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)C2(CN(C)C)CC2)C1 1040715572 YYGAAMWGOMTTBA-BLLLJJGKSA-N 322.409 -0.433 30 20 DBED C[C@@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)Cc2cnn(C)c2)C1 1040762318 HCNILHDRYSZFHU-XHDPSFHLSA-N 319.365 -0.798 30 20 DBED C[C@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)c2ccsn2)C1 1040767557 ZABNEEWPALMAKB-NOZJJQNGSA-N 308.363 -0.004 30 20 DBED N#CCN1CC[C@]2(CCN(C(=O)[C@H]3CCS(=O)(=O)C3)C2)C1 1041450282 CMBRLJGERWZURT-JSGCOSHPSA-N 311.407 -0.131 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)c2nccn2CC)C1 1042039580 CPBSLCDVQXKJDK-UHFFFAOYSA-N 322.365 -0.591 30 20 DBED C=C[C@@](C)(CC)C(=O)N1CC(O)(CNC(=O)[C@H]2CCC(=O)N2)C1 1042070860 CDMSDJLTIHZZBR-ABAIWWIYSA-N 323.393 -0.443 30 20 DBED Cn1c(O)ncc(C(=O)N2CC[C@H]3CCN(CC#N)[C@H]3C2)c1=O 1042183725 QUPPHDFDKXVYKC-PWSUYJOCSA-N 317.349 -0.454 30 20 DBED C=CCCOCC(=O)N1CC(O)(CNC(=O)[C@H](O)C(C)C)C1 1042880320 GXACXXFQSJRVCD-CYBMUJFWSA-N 314.382 -0.715 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)[C@@H]2CC2(F)F)C1 1042936699 NDRRCJIPKZGYJZ-JTQLQIEISA-N 300.305 -0.010 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)C[C@@H]2CCCO2)C1 1043036810 RLHFIOSKELBDIC-STQMWFEESA-N 324.377 -0.717 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)[C@H]2CCCCO2)C1 1043039946 KVYKYMYDTYGGTN-QWHCGFSZSA-N 324.377 -0.717 30 20 DBED CCc1ncoc1C(=O)N1CC(O)(CNC(=O)[C@@H](C)C#N)C1 1045551321 HKHCWOREYYEEMU-VIFPVBQESA-N 306.322 -0.300 30 20 DBED CC#CCN1CC[C@H](N2CCN(C(=O)c3cnn(C)n3)CC2)C1 1046069900 MRIDJDSTPFUHEP-AWEZNQCLSA-N 316.409 -0.330 30 20 DBED N#CCN1CCC(F)(F)[C@@H](CNC(=O)[C@H]2COCCO2)C1 1046918994 MXLSKQATWRQSTH-WDEREUQCSA-N 303.309 -0.001 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCN(C(C)=O)C2)C1 1047449269 ALGCLVFGYHNWPL-ILXRZTDVSA-N 309.410 -0.066 30 20 DBED C=CCCC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CCC(=O)NC2)C[C@@H]1O 1048515364 XMDIDFNVLGDTGC-AGIUHOORSA-N 323.393 -0.491 30 20 DBED C=C[C@@H](CC)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CC(N)=O)C1 1048612576 IFBCXIWYZJYFNI-SRVKXCTJSA-N 311.382 -0.506 30 20 DBED CC(=O)NC(C)(C)C(=O)N(C)[C@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1O 1049085564 VWLCQNIYLLZNSU-USWWRNFRSA-N 324.381 -0.909 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)CC2(O)CCC2)C[C@@H]1O 1049393534 BHVJSGBBWQHBJW-WOPDTQHZSA-N 309.366 -0.519 30 20 DBED N#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)C1CC(=O)NC(=O)C1 1049781379 DFHXFENEXNEOTP-RYUDHWBXSA-N 304.350 -0.372 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@H]1COCCN1CCCO 1050962337 IXUQSQGMESINLA-CABCVRRESA-N 309.410 -0.717 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)c1cn2c(n1)COCC2 1050980981 DGGGNFDGCYKIGN-GFCCVEGCSA-N 304.350 -0.523 30 20 DBED C[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@@H]1CNC(=O)C#CC1CC1 1053298629 ALWRYYXHULXQAO-YPMHNXCESA-N 317.389 -0.124 30 20 DBED CN1CCO[C@H](C(=O)N2CCN(c3ccnc(C#N)n3)CC2)C1 1055751069 NFUYCAHCOIXXQA-LBPRGKRZSA-N 316.365 -0.673 30 20 DBED N#Cc1nccc(N2C[C@H]3C(NC(=O)[C@H]4COC(=O)N4)[C@@H]3C2)n1 1056194357 LSKPYJKQOLGLJP-IWSPIJDZSA-N 314.305 -0.993 30 20 DBED Cn1nncc1C(=O)NC1[C@H]2CN(c3ccc(C#N)cn3)C[C@H]12 1056194547 NKWPLNGRCCGCDH-QWRGUYRKSA-N 309.333 -0.054 30 20 DBED N#Cc1ccc(N2C[C@H]3C(NC(=O)Cc4nc[nH]n4)[C@@H]3C2)nc1 1056297725 PSIACJXMBOEJNQ-GHMZBOCLSA-N 309.333 -0.135 30 20 DBED COCCO[C@@H](C)C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N 1058656940 NGOYZQIXYBMJHF-RYUDHWBXSA-N 315.370 -0.865 30 20 DBED CO[C@@H](C(=O)NCCN(CCO)C(=O)[C@H](C)C#N)C1CCC1 1058660467 AXMOBNIRWTXUHC-DGCLKSJQSA-N 311.382 -0.102 30 20 DBED C=C1CCC(C(=O)N(CCO)CCNC(=O)CC(N)=O)CC1 1058725563 LFDPQKPYKYZOPB-UHFFFAOYSA-N 311.382 -0.455 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)C1(CF)CC1 1058780049 SQVIAIPKRJIQLX-UHFFFAOYSA-N 302.346 -0.124 30 20 DBED C=CCCC(=O)NC[C@@H]1COCCN1C(=O)c1ncn(C)n1 1061406681 KORSIBMXTQZAIB-LLVKDONJSA-N 307.354 -0.262 30 20 DBED COCCC(=O)N1CCOC[C@@H]1CNC(=O)c1ccc(C#N)[nH]1 1061508260 KVNKPUBYTDZAQO-LBPRGKRZSA-N 320.349 -0.120 30 20 DBED O=C(C#CC1CC1)NC[C@H]1COCCN1C(=O)Cc1cc[nH]n1 1061569803 MGTCTSLOIWQPQA-AWEZNQCLSA-N 316.361 -0.291 30 20 DBED C=CCCOCC(=O)N1CCOC[C@@H]1CNC(=O)c1nc[nH]n1 1061766339 HOSBEZVZHOMMTJ-NSHDSACASA-N 323.353 -0.645 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCOC[C@H]1CNC(=O)c1nc[nH]n1 1061766470 KUVVLZLWBGZAOR-QMTHXVAHSA-N 323.353 -0.911 30 20 DBED Cc1nc[nH]c1C(=O)N1CCOC[C@@H]1CNC(=O)[C@H](C)C#N 1061850048 AGZSOKLULCOSOF-KOLCDFICSA-N 305.338 -0.165 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)c1csc(O)n1 1061850448 GOQKVXDLZZLRSF-DTWKUNHWSA-N 324.362 -0.034 30 20 DBED N#Cc1cncc(N2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2COC(=O)N2)n1 1062480801 AWMWOSWELLJOPQ-GARJFASQSA-N 314.305 -0.754 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(NC(=O)Cc2nc[nH]n2)CCC1 1062866494 NXJRHHQJCHDWMG-CQSZACIVSA-N 321.381 -0.171 30 20 DBED Cc1nc(CC(=O)NC2(CNC(=O)[C@H](C)C#N)CCC2)n[nH]1 1064306988 VKZHWNSCLGEZQE-SECBINFHSA-N 304.354 -0.030 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H]1CN(C(=O)/C(C)=C\C)CCO1 1065027377 KUUTUSIJJKBTIZ-QWGHSUKYSA-N 321.377 -0.564 30 20 DBED C[C@@]1(NC(=O)[C@@H]2CCC(=O)N2)CCN(c2cnc(C#N)cn2)C1 1065269090 LFJGWFXPBXMFKP-XHDPSFHLSA-N 314.349 -0.288 30 20 DBED N#Cc1cnccc1N1CCOC[C@H]1CNC(=O)c1cnon1 1066497234 MRLXVKKJNPCWHR-LLVKDONJSA-N 314.305 -0.029 30 20 DBED CN(CCCN(C)C(=O)[C@H]1COC(=O)N1)C(=O)C#CC1CC1 1067310204 MVSGVIBWSDOSCM-GFCCVEGCSA-N 307.350 -0.185 30 20 DBED C#CCOCCC(=O)N(C)CCCN(C)C(=O)[C@H]1CCNC1=O 1067428076 XKYFMNDXECBAHI-ZDUSSCGKSA-N 323.393 -0.531 30 20 DBED C=CCOCC(=O)N[C@@H]1COC2(C1)CN(C(=O)[C@H]1CCCO1)C2 1068764287 NOUIRNYAAWXHIZ-QWHCGFSZSA-N 324.377 -0.146 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1COC2(C1)CN(C(=O)c1cnn[nH]1)C2 1069009195 XTRYCGNQHHNJRQ-RKDXNWHRSA-N 304.310 -0.936 30 20 DBED C[C@H]1C[C@H](Nc2nccnc2C#N)CN1C(=O)CS(C)(=O)=O 1069040413 ILODZFXKBDXCCM-UWVGGRQHSA-N 323.378 -0.206 30 20 DBED C[C@H]1C[C@@H](N=c2cc[nH]c(C#N)n2)CN1C(=O)Cc1nc[nH]n1 1069143903 PJOSJJABWPRAIY-VHSXEESVSA-N 312.337 -0.468 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2cc(CC)[nH]n2)C[C@@H]1n1ccnn1 1070145330 XHFMBLPQSCPCIV-KGLIPLIRSA-N 313.365 -0.148 30 20 DBED C=CCOCC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CCC(=O)NC2)C1 1070959398 SJWFHRMUUBMNEC-CHWSQXEVSA-N 323.393 -0.178 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)CC2(O)CCC2)CC1 1070962651 YOJHABPPYKFEFF-UHFFFAOYSA-N 307.394 -0.425 30 20 DBED C[C@H]1CN(C(=O)c2cnon2)C[C@@H]1NC(=O)CSCC#N 1072581834 GNQQUIGTGRUALK-WPRPVWTQSA-N 309.351 -0.097 30 20 DBED CC#CCN1CCCO[C@@H](CNC(=O)c2cc(=O)n(C)o2)C1 1073585358 GTIZIEGNPYNZKZ-LBPRGKRZSA-N 307.350 -0.178 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)c2ccnc3[nH]nnc23)C1 1073689859 FCOOKDSLKIPZCS-NSHDSACASA-N 314.349 -0.193 30 20 DBED C[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)CC[C@@H]1NC(=O)CC(N)=O 1073840672 VURVKWGRDHFDCC-CABZTGNLSA-N 317.349 -0.271 30 20 DBED CC#CCN1CCO[C@H]2CCN(C(=O)c3nnn(C)n3)C[C@H]21 1074317718 VAAPUIPPGXNBLN-NEPJUHHUSA-N 304.354 -0.851 30 20 DBED CC(C)C#CC(=O)NCC[C@H](C)NC(=O)[C@H]1COCCN1C 1076411415 HBADFSUUVPSULU-UONOGXRCSA-N 309.410 -0.013 30 20 DBED C#CCO[C@H](C)C(=O)NCC[C@H](C)NC(=O)[C@H](C)NC(N)=O 1076510131 DPMJIETXCWNFDQ-GARJFASQSA-N 312.370 -0.908 30 20 DBED C=CCCCC(=O)N[C@@H](C)CCNC(=O)CS(=O)(=O)NC 1076623707 HXVYFWJDHGBNFA-NSHDSACASA-N 319.427 -0.097 30 20 DBED C#CCC1(C(=O)NCC[C@H](C)NC(=O)Cn2cnnn2)CCC1 1076833567 JBKZDXMPVBXETO-LBPRGKRZSA-N 318.381 -0.122 30 20 DBED C=CCOCC(=O)N[C@@H](C)CCNC(=O)c1cc(C(N)=O)c[nH]1 1078043045 HZTCBAVLMUSPNB-JTQLQIEISA-N 322.365 -0.059 30 20 DBED C=CCOCC(=O)N1CC(N(CC)C(=O)[C@@H]2CC[C@H]2C(N)=O)C1 1080214811 RQUZHDIQWMBGHL-CHWSQXEVSA-N 323.393 -0.240 30 20 DBED C=CCCOCC(=O)N1C[C@H](CNC(=O)c2cc[nH]n2)[C@@H](O)C1 1081294920 KSJWWZPLBHBBFL-AAEUAGOBSA-N 322.365 -0.449 30 20 DBED C#CCCCC(=O)N1C[C@H](CNC(=O)c2ncccn2)[C@@H](O)C1 1081688902 XTQSYISSQRYNFI-STQMWFEESA-N 316.361 -0.171 30 20 DBED CCN1C[C@H](C(=O)N2CCO[C@@H]3CN(CC#N)C[C@@H]32)CC1=O 1083098782 HLLWWNKOTOEKEZ-FRRDWIJNSA-N 306.366 -0.710 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)c2cnc(N(C)C)cn2)C1 1083459906 GPXPLJUSQPAVCC-OLZOCXBDSA-N 303.366 -0.659 30 20 DBED Cc1oc2ncnc(O)c2c1C(=O)N[C@@H]1CN(CC#N)C[C@@H]1O 1083522242 ZFCHWFCLFQBUJN-BDAKNGLRSA-N 317.305 -0.465 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCc3nncn3CC2)C1 1083653129 WIHKAWSWIWDNMP-MCIONIFRSA-N 319.409 -0.032 30 20 DBED Cn1nnc2c1C[C@H](C(=O)N1C[C@H]3CCN(CC#N)C[C@H]31)CC2 1084611612 WNVUVUWRIKKFRL-LALPHHSUSA-N 314.393 -0.024 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2cnc3c(c2)nnn3C)[C@@H](O)C1 1090441273 JWLRLLAWMATUOP-YPMHNXCESA-N 314.349 -0.839 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cc(C)c(C(N)=O)cn2)[C@@H](O)C1 1090571719 BQKDGIHLYSJZPP-JSGCOSHPSA-N 316.361 -0.713 30 20 DBED N#Cc1nc(=N[C@@H]2C[C@@H](NC(=O)CC(N)=O)C23CCC3)cc[nH]1 1090593118 BMGIDRWGHJPBTQ-NXEZZACHSA-N 314.349 -0.515 30 20 DBED C=CCN1CC[C@H](NC(=O)c2cccn3c(O)nnc23)[C@H](O)C1 1090721333 GAJOOUOGIUPCBD-NWDGAFQWSA-N 317.349 -0.214 30 20 DBED C=CCCN1CC[C@H](NC(=O)c2cccc(C(N)=O)n2)[C@@H](O)C1 1090839323 KKYIULUWUFENKC-FZMZJTMJSA-N 318.377 -0.078 30 20 DBED CS[C@@H](C)C(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1091066518 WKGGESZBZQRPRW-GDPRMGEGSA-N 307.379 -0.235 30 20 DBED N#Cc1cncc(N2C[C@H]3C(NC(=O)CCn4ccnn4)[C@@H]3C2)n1 1093261461 VPPBBMCVOAFMJS-VXGBXAGGSA-N 324.348 -0.419 30 20 DBED C#CCN1CCN(C(=O)[C@H]2CC2(F)F)[C@@H]2CS(=O)(=O)C[C@@H]21 1094631547 NNPUYIOSPZNVNS-OUAUKWLOSA-N 318.345 -0.415 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)c3cccn3C)CC2=O)C1 1094706415 BLGSGSHEIGHQOB-LBPRGKRZSA-N 300.362 -0.327 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)c3c(C)ncn3C)CC2=O)C1 1094747325 OVFHXZRZHXWUID-LBPRGKRZSA-N 315.377 -0.623 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCCN(c2nccnc2F)C1 1096162735 PMUTYEZJNXKKEN-LLVKDONJSA-N 319.340 -0.160 30 20 DBED CCC(=O)N[C@@H](C)C(=O)N[C@@H]1CCN(c2nccnc2C#N)C1 1096495807 SRHWLUURQJCEDH-WDEREUQCSA-N 316.365 -0.042 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCS(=O)(=O)C1)N=c1cc[nH]cc1C#N 1098136323 FCPKPBWBCCRYRB-QWRGUYRKSA-N 322.390 -0.274 30 20 DBED C=C(C)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cn1c(O)nnc1O 1098287838 XGYMFUXIBOCRLL-MXWKQRLJSA-N 307.354 -0.013 30 20 DBED C[C@H]1CN(C(=O)Cn2cnnn2)CC2(CCN(CC#N)CC2)O1 1098565695 RVEAISNCTQWSPP-LBPRGKRZSA-N 319.369 -0.721 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1CCC[C@H](NC(=O)CNC(N)=O)C1 1098590673 VGQZERPCOIECHZ-RYUDHWBXSA-N 316.365 -0.117 30 20 DBED Cn1ccc(C(=O)N2CC[C@H](n3cc(CNCC#N)nn3)C2)n1 1098780466 WIXQVXGUUJNDSM-LBPRGKRZSA-N 314.353 -0.288 30 20 DBED N#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 1099167879 WVVPYFBQRFEUNT-GVXVVHGQSA-N 312.395 -0.828 30 20 DBED CCn1ncc(CN2CC[C@H](NC(=O)C#CC3CC3)[C@H](O)C2)n1 1099826135 GVEWCWXAXGBZAU-LSDHHAIUSA-N 317.393 -0.237 30 20 DBED COCCCn1cc(C(=O)N[C@@H]2CCN(CC#N)C[C@H]2O)cn1 1100068810 BBTURPYUIFTHRF-ZIAGYGMSSA-N 321.381 -0.392 30 20 DBED CN(CCN=c1cc[nH]cc1C#N)C(=O)c1cc(C(N)=O)c[nH]1 1101728538 AIISSFIGHZXGFO-UHFFFAOYSA-N 312.333 -0.014 30 20 DBED CN(CCNc1ncccc1C#N)C(=O)CN1CCOCC1=O 1102012466 YKCIWWAANPGJGE-UHFFFAOYSA-N 317.349 -0.318 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](C)[C@H](CNC(=O)CCN(C)C)C1 1102320593 KCXYOIVGLBXYIV-QLFBSQMISA-N 322.453 -0.240 30 20 DBED N#Cc1ccc(N2C[C@@H]3C[C@H]2CN3C(=O)CNC(N)=O)cn1 1102536231 PORAYOQXLACDOY-RYUDHWBXSA-N 300.322 -0.589 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H](C)CN=c1cc[nH]c(C#N)n1 1103956144 KSLNXZHSLDTXBW-NSHDSACASA-N 314.349 -0.926 30 20 DBED Cc1cc(=N[C@@H](CNC(=O)CNC(N)=O)C(C)C)c(C#N)c[nH]1 1105105639 ALJFOAYJDBAIJR-ZDUSSCGKSA-N 318.381 -0.095 30 20 DBED COCCO[C@H](C)C(=O)N1CC(n2cc(CNCC#N)nn2)C1 1105336924 NWTLMDPAQZAFGH-LLVKDONJSA-N 322.369 -0.674 30 20 DBED CN(CCN(C)c1ccc(C#N)nn1)C(=O)[C@H]1CCCC(=O)N1 1105491076 HIYSLMXBEDZXSV-GFCCVEGCSA-N 316.365 -0.088 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)C2=COCCO2)cn1 1105715413 SKPHJGIOTWIOML-LBPRGKRZSA-N 304.306 -0.270 30 20 DBED N#Cc1cncc(NC[C@@H](O)CNC(=O)C2=CCOCC2)n1 1105798917 OVEJXHASNKAALR-GFCCVEGCSA-N 303.322 -0.416 30 20 DBED Cc1nsc(NC[C@@H](O)CNC(=O)c2cnn(C)n2)c1C#N 1105897258 BFNCLTJCRILESS-QMMMGPOBSA-N 321.366 -0.346 30 20 DBED Cc1ccoc1CC(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1 1106096247 DQZDMQCNIOWGMN-LLVKDONJSA-N 315.333 -0.197 30 20 DBED N#Cc1nc(=NC[C@@H](O)CNC(=O)[C@@]23CCC[C@@H]2C3)cc[nH]1 1106183090 PNUIBUZHBJRCGK-UEKVPHQBSA-N 301.350 -0.151 30 20 DBED Cc1cc(=NCC[C@H](C)NC(=O)Cn2ncnn2)c(C#N)c[nH]1 1106454468 LQAJZSUCEZYUHZ-JTQLQIEISA-N 314.353 -0.323 30 20 DBED C[C@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)c1cnnc(O)c1 1106480446 MITPAPJJVBBTJB-SECBINFHSA-N 313.321 -0.114 30 20 DBED C[C@H](C#N)C(=O)NCc1cn(C2CN(C[C@H]3CCOC3)C2)nn1 1107149553 INSVGXXXPNHUMX-VXGBXAGGSA-N 318.381 -0.053 30 20 DBED N#Cc1ccc(NC/C=C\CNC(=O)[C@@H]2CC[C@H]2C(N)=O)nn1 1107450712 GEUDJHGGAVZKJU-JZIZGNRHSA-N 314.349 -0.056 30 20 DBED CC[C@@H](C(N)=O)N1CCO[C@@](C)(CNC(=O)C#CC2CC2)C1 1107932325 JZOWHJMPCZPRAM-BBRMVZONSA-N 307.394 -0.129 30 20 DBED C=CCCN1CCO[C@@](C)(CNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 1108248450 JPQYGLUIDPBPRT-NHYWBVRUSA-N 324.381 -0.632 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)CCCCNC(N)=O 1108593252 YTCRUPOYFZXDIY-JTQLQIEISA-N 319.369 -0.475 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)[C@@H]1CCN(C)C(=O)C1 1108771607 LDGZADHQSWVVLW-WDEREUQCSA-N 316.365 -0.445 30 20 DBED C[C@H](CN(C)c1nccnc1C#N)NC(=O)C(C)(C)C(N)=O 1109125317 QESFQMBXKXTQEQ-SECBINFHSA-N 304.354 -0.199 30 20 DBED N#Cc1ccc(NC[C@@H](NC(=O)CNC(N)=O)C2CC2)nn1 1109753690 HBDWWIGASDQMBY-SNVBAGLBSA-N 303.326 -0.677 30 20 DBED C=C[C@](C)(O)CC(=O)N(CCO)CCNc1cncc(C#N)n1 1111467050 TZCMUKGBWBHBRW-HNNXBMFYSA-N 319.365 -0.092 30 20 DBED N#Cc1cccnc1NCCN(CCO)C(=O)[C@@H]1CCC(=O)N1 1111490639 RCINKVGUZUPXDA-LBPRGKRZSA-N 317.349 -0.535 30 20 DBED N#Cc1c[nH]ccc1=NCCN(CCO)C(=O)c1ncccn1 1111501149 MHSRIZHOQKTMSU-UHFFFAOYSA-N 312.333 -0.288 30 20 DBED CNC(=O)CC(=O)N1CCO[C@@H](CNc2ccc(C#N)nn2)C1 1111940541 PCHLIEMFQLZWDO-NSHDSACASA-N 318.337 -0.876 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)CC2(O)CCC2)CC1 1112828584 ZDFSOOZEWDLIAZ-CYBMUJFWSA-N 307.394 -0.426 30 20 DBED COC[C@H](C)[C@H](C)C(=O)N1CCN(CC(=O)NCC#N)CC1 1112944424 DDMWAJUVOCUSJM-STQMWFEESA-N 310.398 -0.311 30 20 DBED C[C@H](N=c1cc[nH]c(C#N)n1)[C@H](C)NC(=O)CCc1nc[nH]n1 1112966334 OXKJYJGVYLYKTQ-UWVGGRQHSA-N 314.353 -0.174 30 20 DBED CN(C)[C@@H](C(=O)N1CCN(CC(=O)NCC#N)CC1)C1CC1 1112966427 YCIAFNJSJBBXTD-CQSZACIVSA-N 307.398 -0.889 30 20 DBED N#Cc1ccc(CN2C[C@H]3[C@H](NC(=O)CNC(N)=O)[C@H]3C2)cc1 1113849866 NPTYVFPHRUVLCQ-NHAGDIPZSA-N 313.361 -0.227 30 20 DBED CCO[C@H](CC)C(=O)NC1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]12 1113976221 DDIAOATVWHWVDM-IJLUTSLNSA-N 308.382 -0.512 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3cnc(C)n3C)[C@H]2C1 1114730703 HDYMXGFMWYJXEW-RYUDHWBXSA-N 315.377 -0.862 30 20 DBED COCC#CCN1C[C@@H]2C(NC(=O)[C@H](NC(C)=O)C(C)C)[C@H]2C1 1115147299 DDYQYJBTKNNVBC-SOUVJXGZSA-N 321.421 -0.157 30 20 DBED N#CCN1CCN(C(=O)c2cnc3nc(O)nc(O)c3c2)CC1 1116172309 AFXJINBEYWJFOI-UHFFFAOYSA-N 314.305 -0.283 30 20 DBED C#Cc1ccc(NC(=O)C(=O)NCCN2CC[C@H](O)C2)cc1 1121006525 HRBLEYGXOHKKNB-AWEZNQCLSA-N 301.346 -0.211 30 20 DBED Cc1cc(C(=O)NC[C@@H](CO)Nc2ccc(C#N)nn2)n[nH]1 1121119961 MMWPJONEVVDWNT-JTQLQIEISA-N 301.310 -0.417 30 20 DBED Cc1nc(N[C@@H](CO)CNC(=O)[C@H]2CCC(=O)N2)ccc1C#N 1121235400 NLVBSOYKAHDDOW-VXGBXAGGSA-N 317.349 -0.571 30 20 DBED Cc1cc(C#N)nc(N[C@H](CO)CNC(=O)[C@H](O)C(C)C)n1 1121393315 QEGAQFNMEXSSBA-NWDGAFQWSA-N 307.354 -0.437 30 20 DBED Cc1n[nH]cc1C(=O)NC[C@H](CO)Nc1ccc(C#N)nn1 1122293526 MKRSBFBKOJBVGP-SNVBAGLBSA-N 301.310 -0.417 30 20 DBED C[C@@H]1[C@@H](Nc2cnc(C#N)cn2)CCN1C(=O)CNC(N)=O 1122932597 UTJNHZKHJCTYCL-SCZZXKLOSA-N 303.326 -0.582 30 20 DBED N#Cc1ccc(F)c(CNCCNC(=O)Cn2cnnn2)c1 1123312963 LOSQDWOMSMMWMC-UHFFFAOYSA-N 303.301 -0.410 30 20 DBED Cc1cc(N(C)C[C@@H](O)CN(C)C(=O)[C@H](C)C#N)nc(CO)n1 1124989433 WHGRYOYQDURDFH-ZYHUDNBSSA-N 321.381 -0.308 30 20 DBED CN(C[C@@H](O)CN(C)c1ccnc(C#N)n1)C(=O)c1cocn1 1124989544 WPGMJUSNTTWYSS-JTQLQIEISA-N 316.321 -0.094 30 20 DBED C=C(Br)CNCCNC(=O)CCNC(=O)COC 1128685874 IABOYYWVNALTAW-UHFFFAOYSA-N 322.203 -0.247 30 20 DBED C=C(C)CN1C[C@H](n2ccnn2)[C@H](NC(=O)C(C)(C)C(N)=O)C1 1129055152 VUXOHHDBMYVNGB-NEPJUHHUSA-N 320.397 -0.293 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1cc2ncccc2o1 1131443192 IDYXIWZNVSBAAU-UHFFFAOYSA-N 301.306 -0.213 30 20 DBED C=CCNC(=O)CNC[C@H]1CN(C(=O)CC(N)=O)CC[C@@H]1C 1132719173 WGWZZHDMURUJDN-RYUDHWBXSA-N 310.398 -0.762 30 20 DBED C[C@@H]1CCN(C(=O)CC(C)(C)O)C[C@@H]1CNCC(=O)NCC#N 1132782534 NYRVGFXTKVKFHS-OLZOCXBDSA-N 324.425 -0.139 30 20 DBED C[C@@H]1CCN(C(=O)c2cn(C)c(=O)n2C)C[C@H]1CNCC#N 1133351902 VVDXCLQCBHULEK-VXGBXAGGSA-N 305.382 -0.065 30 20 DBED CC#CCN1CCCO[C@@H](CNC(=O)[C@@]2(C)CCNC2=O)C1 1150318530 QZGDAQDDZKVYAZ-BBRMVZONSA-N 307.394 -0.257 30 20 DBED C#CCCN1CCC(CCOC)(NC(=O)[C@@H]2CNC(=O)N2)CC1 1151281239 HSTHQNBMMULKNY-ZDUSSCGKSA-N 322.409 -0.322 30 20 DBED N#CCNC(=O)CNCCNC(=O)CCn1cc(Cl)cn1 1152177181 JHLNCYIMJDZYGO-UHFFFAOYSA-N 312.761 -0.728 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)[C@H]1CCN(C)C1=O 1154719992 RGHNCGCMQCKKRF-CHWSQXEVSA-N 322.409 -0.959 30 20 DBED C=CCNC(=O)NC(=O)CNCCCNC(=O)CCCOC 1155045269 YDBYLOVSIJCRTH-UHFFFAOYSA-N 314.386 -0.479 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@@H]1CC(=O)N(C(C)C)C1 1159240898 JVLVKOSVSXHFGH-CYBMUJFWSA-N 324.425 -0.359 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)[C@@H]1CCC(=O)N1C 1164158234 XCLROVWWVVLKEV-RYUDHWBXSA-N 310.398 -0.606 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)c1c(C)ncnc1O 1164436472 GMYJLLAMHMDCKD-NSHDSACASA-N 321.381 -0.109 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@@H]1CCC(=O)N1C(C)C 1164503463 KXAVZJYKRRLBAZ-ZDUSSCGKSA-N 324.425 -0.216 30 20 DBED C#CCO[C@H](C)C(=O)NCCC1(CNCc2nnn(C)n2)CC1 1164504529 AQCNIONYMGKQPH-GFCCVEGCSA-N 320.397 -0.376 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1ccc(C)nc1OC 1167737977 KSEMAYFZRUANEG-UHFFFAOYSA-N 318.377 -0.142 30 20 DBED C=CCn1cc(C(=O)NCCCN[C@@H](C)c2nnnn2C)nn1 1167839162 VVYQVLALTFGTIM-JTQLQIEISA-N 319.373 -0.542 30 20 DBED C[C@@H](CCCCNCC#N)NC(=O)c1cn(C)c(=O)nc1O 1176548253 XZSIOWBJRJHOAY-JTQLQIEISA-N 307.354 -0.112 30 20 DBED C=CCNCCCCCCNC(=O)CN1C(=O)C(=O)N(C)C1=O 1179735521 JHOQBPKPEYZRJP-UHFFFAOYSA-N 324.381 -0.141 30 20 DBED C[C@@H]1CN(C(=O)c2cc(=O)n(C)cn2)CC[C@@H]1CNCC#N 1184596483 MASANHHNRIIYRQ-VXGBXAGGSA-N 303.366 -0.008 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)[C@@H]2CCNC(=O)C2)C1 1189623498 ZHBRWPMJFFUJGC-OLZOCXBDSA-N 322.409 -0.653 30 20 DBED C=CCCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2n[nH]c(C)n2)C[C@H]1O 1191614897 QICSLMFRNFHKNF-CYZMBNFOSA-N 323.397 -0.244 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(Cc2cn(C)nc2C)C[C@H]1O 1191807011 HEGQXDMTLDFJPF-ZIAGYGMSSA-N 308.382 -0.408 30 20 DBED CN(CC#N)[C@H]1CCN(C(=O)CNC(=O)c2cccnc2)C1 1192471503 DOKMZIKODGTGEO-ZDUSSCGKSA-N 301.350 -0.132 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)C(C)(C)C(C)C)C1 1193312976 UOKAAZTTWAIOFO-BFHYXJOUSA-N 323.437 -0.032 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)Cn2ccnc2)C1 1194448644 JFMLAMWVSXDTFY-ZDUSSCGKSA-N 303.366 -0.835 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)CCC(F)F)C1 1194746712 ZQQSXTZDTLSXAD-HBNTYKKESA-N 319.352 -0.116 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)OCCOC)C1 1196600618 VBDRQKMLZWNPHM-MGPQQGTHSA-N 316.398 -0.598 30 20 DBED COCC#CCN1CCCN(C(=O)COc2cnn(C)c2)CC1 1196924860 DDMLYDSBLJZMIL-UHFFFAOYSA-N 320.393 -0.017 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)c2cnn(C)n2)CC1 1197435875 PDPDBQNZDPONPT-UHFFFAOYSA-N 306.370 -0.735 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)CN2CCCC2=O)CC1 1199241967 JGIPULXIZWSKFB-UHFFFAOYSA-N 322.409 -0.508 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2ccn(C)n2)C[C@H]1O 1199312959 IFIVZULLOBYKKU-IACUBPJLSA-N 308.382 -0.328 30 20 DBED C=CCCCN1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC(=O)NC2=O)C1 1199566895 HQWCCIXTVFVLNA-QJPTWQEYSA-N 309.366 -0.833 30 20 DBED CC#CCNC[C@H]1CN(C(=O)CS(C)(=O)=O)CCCO1 1199997848 AKGBXUOMFQYSMD-LBPRGKRZSA-N 302.396 -0.739 30 20 DBED C=CCCC(=O)N1CCCO[C@@H](CNCc2nnn(C)n2)C1 1200083258 DYFVMGKTDREWEC-LBPRGKRZSA-N 308.386 -0.117 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)C[C@H](C)NC(N)=O)CCCO1 1200509889 IAWKCBXHADLAPG-QWHCGFSZSA-N 310.398 -0.336 30 20 DBED C=CCNC[C@H]1CN(C(=O)CN(C)C(=O)COC)CCCO1 1200641469 CRQNLASSMAVVIW-ZDUSSCGKSA-N 313.398 -0.516 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)c2ccn(CC)n2)CC1 1202771876 MZVKDOXSLIQWNX-UHFFFAOYSA-N 317.393 -0.153 30 20 DBED C=CCN[C@H]1C[C@H]2CC[C@H]1N(C(=O)CNC(=O)CNC(C)=O)C2 1204502579 LCYKNEICJLKSSB-HZSPNIEDSA-N 322.409 -0.606 30 20 DBED C#CCNCC1CCN(C(=O)CCS(=O)(=O)NC)CC1 1205270995 FWYBUGWJVHBDPN-UHFFFAOYSA-N 301.412 -0.613 30 20 DBED C=CCNC(=O)[C@H](C)NCC1CCN(C(=O)c2cnn[nH]2)CC1 1205609292 WKRGVNYXEYWNOC-NSHDSACASA-N 320.397 -0.063 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)c2cnsn2)[C@H](C)C1 1206286669 KNAWKZJXGVLZCC-MWLCHTKSSA-N 309.395 -0.110 30 20 DBED CC(=O)NCCOCCN1C[C@@H](NC(=O)[C@H](C)C#N)[C@H](C)C1 1206659111 DDCHVPZLOQHMMC-YRGRVCCFSA-N 310.398 -0.265 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2ccn(C)c2)[C@H](C)C1 1206867019 GVTHOEZPXRNXIK-TZMCWYRMSA-N 302.378 -0.175 30 20 DBED COCC#CCN[C@H]1CCCN(C(=O)[C@H]2CCNC(=O)C2)C1 1207789977 PIXHGRNCZOKYHP-KBPBESRZSA-N 307.394 -0.257 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCC[C@@H](NCc2nnnn2C)C1 1207951065 QEAZPBAHGCIMPN-BXUZGUMPSA-N 308.386 -0.382 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2CCCNC2=O)C1 1208373902 RRSJXLXSUGYFTG-CHWSQXEVSA-N 322.409 -0.605 30 20 DBED C=CCn1cc(C(=O)N2CCC[C@@H](NCC(=O)NC)C2)nn1 1210009527 HTVOHLNYJOIIIJ-LLVKDONJSA-N 306.370 -0.596 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)Cc2nc[nH]n2)C1 1210586266 WGKZEDDMJQWIBR-LLVKDONJSA-N 306.370 -0.770 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)Cc2ccc[nH]2)C1 1211187444 KINANNOJXOHCHT-CQSZACIVSA-N 302.378 -0.113 30 20 DBED C=CCOCCN1C[C@@H](NC(=O)CC(=O)NCC)[C@H](OC)C1 1212156332 HZZVKVBYWBHGKU-CHWSQXEVSA-N 313.398 -0.469 30 20 DBED C=CCCCN1C[C@@H](NC(=O)C2CC(=O)NC(=O)C2)[C@H](OC)C1 1213567195 NUFKIERYMHGBJG-CHWSQXEVSA-N 323.393 -0.179 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@@H](CCCC)NC(N)=O)[C@H](OC)C1 1213975586 NTYDUFNFWJBKKQ-JHJVBQTASA-N 310.398 -0.338 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CN(Cc2ccnc(N(C)C)c2)C[C@@H]1O 1219379318 QZINLWCHDCYVOE-BNOWGMLFSA-N 317.393 -0.031 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CN(Cc2cccc(C#N)c2)C[C@@H]1O 1219508185 QBIMRLRDYCZUKW-KGLIPLIRSA-N 316.361 -0.644 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2conc2C)C[C@@H]1O 1219604891 CCNSVDFLAGTSHN-YUTCNCBUSA-N 307.350 -0.317 30 20 DBED COCC#CCN1CC[C@@H]2CN(C(=O)[C@H]3CCNC3=O)[C@@H]2C1 1221733055 CXATZRPHPFRRCW-HZSPNIEDSA-N 305.378 -0.695 30 20 DBED COCC#CCN1CC[C@@H]2CCN(C(=O)[C@H]3COC(=O)N3)C[C@@H]21 1222622434 RZHNWGCEUSUFNF-MCIONIFRSA-N 321.377 -0.333 30 20 DBED C=CCNC(=O)[C@H](C)N1CCC(NC(=O)CNC(C)=O)CC1 1225866090 BJFCGIYQLOJEQB-NSHDSACASA-N 310.398 -0.606 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)Cn2ccc(C)n2)CC1 1229215763 UHQUIUIPXVVGQC-UHFFFAOYSA-N 317.393 -0.478 30 20 DBED C#CCSCCNC(=O)C(=O)N[C@@H](C)[C@H]1CN(C)CCO1 1261092971 VRUBOPUVSALKFF-NWDGAFQWSA-N 313.423 -0.696 30 20 DBED N#CCNC(=O)CNC[C@H]1CCCN1C(=O)C12CCN(CC1)C2 1319124191 GLIGKZJLXQTOAJ-CYBMUJFWSA-N 319.409 -0.697 30 20 DBED C=C(C)CN(CC)C(=O)C(=O)NCC1CN(S(C)(=O)=O)C1 1324273661 AZCZBTXVMNCXFQ-UHFFFAOYSA-N 317.411 -0.581 30 20 DBED C#C[C@@H](NC(=O)C(=O)Nc1ccc(=O)n(CC(N)=O)c1)C(C)C 1326469957 AEZMSYYYNUESQR-LLVKDONJSA-N 318.333 -0.954 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N(CC)[C@@H](C)CS(C)(=O)=O 1327260456 ZXQZKNSFJRIWQY-QWRGUYRKSA-N 320.411 -0.415 30 20 DBED C[C@H](CNC(=O)C(=O)N1CCO[C@@H](C#N)C1)CN1CCCC1 1327695586 HOWOWTQHYYSRKC-OLZOCXBDSA-N 308.382 -0.415 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)NCc1cn(CC)nn1 1331460491 JIZAAHMYCDJJRH-NSHDSACASA-N 307.354 -0.541 30 20 DBED N#CCCNC(=O)C(=O)Nc1ccc2c(c1)S(=O)(=O)CC2 1344018658 MCUMKEGOCCQKDN-UHFFFAOYSA-N 307.331 -0.015 30 20 DBED CN(C(=O)CCN/C(O)=C1\N=CC=CC1=O)C1[C@@H]2CNC[C@@H]12 1346347127 SMUVBNZOLFEVDW-KVHIGESJSA-N 304.350 -0.421 30 20 DBED C[C@@H](CN1CCCCC1)NC(=O)Cn1cc(C#N)c(O)nc1=O 1361913020 LYAFLHINZYTHFI-NSHDSACASA-N 319.365 -0.189 30 20 DBED C[C@@H]1C[C@H]1N1C[C@H](Nc2[nH]c(=O)n(C)c(=O)c2C#N)CC1=O 1363744812 WNTJCMYIUHSNRN-NQMVMOMDSA-N 303.322 -0.634 30 20 DBED N#Cc1ccc(CNC(=O)NC[C@@H](O)Cn2ccnn2)nc1 1364637001 UNZILFAWPDHJCA-GFCCVEGCSA-N 301.310 -0.595 30 20 DBED CC(=O)N[C@H](C)C(=O)NC[C@H](O)CNCc1ccc(C#N)cc1 1392351074 NIIPYVIJEGNGCQ-IAQYHMDHSA-N 318.377 -0.350 30 20 DBED CNC(=O)CCCC(=O)NC1CN(C(=O)c2cc(C#N)c[nH]2)C1 1398581815 CJIQTNVKSLPFRJ-UHFFFAOYSA-N 317.349 -0.257 30 20 DBED C[C@H](NC[C@H](O)CNC(=O)c1cc(C#N)c[nH]1)C(=O)NC1CC1 1420118840 VHQFSGNNGRUKDY-CABZTGNLSA-N 319.365 -0.766 30 20 DBED C[C@@H](C#N)C(=O)NC1CN(C[C@@H](O)COC2CCOCC2)C1 1421026703 UJRSJMHGWQXBGV-WCQYABFASA-N 311.382 -0.497 30 20 DBED C=C(Br)CNC[C@@H](O)CNC(=O)[C@H]1CCC(=O)N1 1422267542 SCTTYYJWDDVMHZ-RKDXNWHRSA-N 320.187 -0.760 30 20 DBED CC(=O)N1CC[C@](C)(C(=O)N2CC(CNC(=O)[C@H](C)C#N)C2)C1 1430429074 DPGWAIZWWVWDPT-BZNIZROVSA-N 320.393 -0.021 30 20 DBED N#C[C@@H]1CN(C(=O)c2nc3ncc(CCO)cn3n2)CCO1 1433659025 QOFDXXQRCSTPNJ-SNVBAGLBSA-N 302.294 -0.976 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)CCN2CCCC2=O)CC1 1433980769 QHHWQVBVKSZZLV-NSHDSACASA-N 306.366 -0.076 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C[C@@H]2CCNC(=O)CC2)C1 1440036114 BSIVGPNNPXUHDH-RYUDHWBXSA-N 308.382 -0.775 30 20 DBED C=C(Cl)CNC[C@@H](O)CNC(=O)[C@@H]1CC(=O)N(CC)C1 1445206860 QQCIDDVCFQCHQK-GHMZBOCLSA-N 303.790 -0.326 30 20 DBED COc1c[nH]c(C(=O)NC2(CNC(=O)[C@@H](C)C#N)CC2)cc1=O 1453534833 FJTGEMBXWGQLHG-VIFPVBQESA-N 318.333 -0.078 30 20 DBED CC(C)S(=O)(=O)CC(=O)N1CC[C@H](NC(=O)[C@H](C)C#N)C1 1454048721 RBIGWXIJAFUXFX-MNOVXSKESA-N 315.395 -0.314 30 20 DBED C[C@H](NC(=O)NCCn1cnc(C#N)n1)c1nnc2n1CCC2 1468365422 NXWZPPZSLXPAPG-VIFPVBQESA-N 315.341 -0.252 30 20 DBED CCCN1C[C@H](CNc2[nH]c(=O)n(C)c(=O)c2C#N)CC1=O 1472810531 NHEQIGSMFQBTLE-VIFPVBQESA-N 305.338 -0.384 30 20 DBED Cn1nnc(CNC2(CNC(=O)c3cc(C#N)c[nH]3)CC2)n1 1483725448 QDHFMCAIUNWVAD-UHFFFAOYSA-N 300.326 -0.538 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@](C)(NC(=O)CCN2CCOCC2)C1 1506465043 PCURTKNSVTXKFB-XJKSGUPXSA-N 322.409 -0.024 30 20 DBED C[C@@H](CN(C)C(=O)Cn1ncnn1)NC(=O)c1ccc(C#N)[nH]1 1510583276 XVHVKPCKYDJTHJ-VIFPVBQESA-N 316.325 -0.850 30 20 DBED C#CC[C@@H](NC(=O)COCc1ocnc1C(=O)OC)C(=O)O 1588404973 JDDIRBUSZGGBFV-MRVPVSSYSA-N 310.262 -0.430 30 20 DBED C=C[C@H](OC(=O)[C@@H](C)n1cnc(-c2nn[nH]n2)n1)C(=O)OCC 1588525869 MFEDEFSFURURRZ-SFYZADRCSA-N 321.297 -0.320 30 20 DBED C=C(CCC(=O)O)C(=O)N1C[C@@H](C(=O)OC)[C@H](C(=O)OC)C1 1588612199 KVKSLPFMQXFFCK-NXEZZACHSA-N 313.306 -0.172 30 20 DBED C=CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCC(=O)O 1588803972 QJCXGUCIWLNDMP-SNVBAGLBSA-N 304.368 -0.052 30 20 DBED CN1CC[C@](C)(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[nH]2)C1=O 1591178264 INYYEXWPSKLSQS-GFCCVEGCSA-N 315.297 -0.732 30 20 DBED COCC[C@](C)(C#N)NC(=O)[C@@H]1CCCN(CC(=O)O)C1=O 1593990186 XKBPNSYHHAVXFF-IINYFYTJSA-N 311.338 -0.255 30 20 DBED N#CCCS(=O)(=O)NC(=O)C1(C(=O)O)CCSCC1 1594610446 TUEKAGWDMGHDIC-UHFFFAOYSA-N 306.365 -0.056 30 20 DBED CN(C)CCOCCNC(=O)N1CCC(C#N)(C(=O)O)CC1 1598233747 LLNWWBWFWIGKFP-UHFFFAOYSA-N 312.370 -0.035 30 20 DBED COC(=O)[C@@H](CC(=O)O)NS(=O)(=O)c1ccc(C#N)o1 1598694905 NTYMMHRUCOQTGI-SSDOTTSWSA-N 302.264 -0.554 30 20 DBED CCC[C@@H](O)[C@@H](CO)Nc1cnc(-c2nn[nH]n2)c(C#N)n1 1604143912 DVVZHDCKMZJREN-RKDXNWHRSA-N 304.314 -0.538 30 20 DBED C[C@H](C(=O)NCC(=O)O)N1CCN(c2cccc(C#N)n2)CC1 1609634347 CPEMKVXZFUFCLC-LLVKDONJSA-N 317.349 -0.335 30 20 DBED Cc1ncc(CC(=O)N2CCC[C@@H]2CNCC(=O)NCC#N)o1 1699752746 DUIWCLKTLNYIJF-GFCCVEGCSA-N 319.365 -0.254 30 20 DBED CN(C)S(=O)(=O)CC(=O)N[C@H]1CC12CCN(CC#N)CC2 1752430483 DRMNRSOBXSAFQE-NSHDSACASA-N 314.411 -0.628 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H](C)CNC(=O)c1cnc(O)n1C 1752891880 RVSCWNOGKFFVFZ-UWVGGRQHSA-N 309.370 -0.476 30 20 DBED C#CCNC(=O)CN[C@H](C)CNC(=O)c1cnc(C)nc1C 1752908818 UNBWRYKNLGMNCQ-SNVBAGLBSA-N 303.366 -0.449 30 20 DBED Cn1cnn(CCC(=O)N[C@H]2CCC[C@@H](NCC#N)C2)c1=O 1752974387 SGKZVTPWMFRKRR-NEPJUHHUSA-N 306.370 -0.488 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H]1CCCN1Cc1nncn1C 1753102277 GWFHJXKSZLULSO-CHWSQXEVSA-N 305.382 -0.066 30 20 DBED C#CCNC(=O)CN(CCNC(=O)c1cc(C)[nH]n1)C1CC1 1753150189 AORMWEUMNPUNNT-UHFFFAOYSA-N 303.366 -0.338 30 20 DBED C=CCNC(=O)CN1CC(NC(=O)c2cnn3c2CCC3)C1 1753378122 BZYZPQILQUKAGO-UHFFFAOYSA-N 303.366 -0.455 30 20 DBED C#CCNCC[C@H]1CCCN(C(=O)Cn2ncn(C)c2=O)C1 1753550474 RNLUYYQSXDBJFI-CYBMUJFWSA-N 305.382 -0.567 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)CCn2cnccc2=O)C1 1753657241 ZCYYCTDFJWJNKE-ZDUSSCGKSA-N 304.350 -0.916 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)CCN(C)[C@H]1CCC(=O)NC1=O 1753852956 GEWOZBZCTNZIOT-RYUDHWBXSA-N 309.366 -0.780 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@H](O)CNCc1csnn1 1753915004 YUSKZHMGDFZVML-STQMWFEESA-N 323.422 -0.798 30 20 DBED CCN(CCNCC(=O)NCC#N)C(=O)[C@@H]1CCC[C@H]1OC 1754053525 VPCQZLJAGXAPGE-CHWSQXEVSA-N 310.398 -0.121 30 20 DBED C=C(Cl)CNC/C=C\CNC(=O)[C@H]1CCS(=O)(=O)N1 1754206324 HUIGGPBLZZBZHP-MXQLGCADSA-N 307.803 -0.307 30 20 DBED C#CCNC(=O)CN(C)C[C@@H](C)NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 1754328168 KGKSFNDPUYGLTM-SYQHCUMBSA-N 307.394 -0.260 30 20 DBED C=CCOCCN1C[C@H]2C[C@H]1[C@H]2NC(=O)CS(C)(=O)=O 1754420325 HROAEXKBEIPDEP-MDZLAQPJSA-N 302.396 -0.578 30 20 DBED C#CCNC(=O)CNC[C@@H](NC(=O)C[C@@H]1CCCO1)C1CC1 1754434271 QFLNAVSVVWZKOE-UONOGXRCSA-N 307.394 -0.211 30 20 DBED C[C@H]1C[C@H](NCC(=O)NCC#N)CCN1C(=O)Cc1ncc[nH]1 1754600854 INMJBPQHQSUHCL-NWDGAFQWSA-N 318.381 -0.439 30 20 DBED C#CCNC(=O)CN1CC[C@@](O)(CNC(=O)C[C@H](C=C)CC)C1 1754753622 AWZWKJYMMGPJKA-RHSMWYFYSA-N 321.421 -0.109 30 20 DBED C#CCCN1CCC(CO)(NC(=O)c2ccc(O)nn2)CC1 1755176828 VHJVZMBKMFSFJY-UHFFFAOYSA-N 304.350 -0.238 30 20 DBED CC(C)(C(=O)NC[C@H]1[C@@H]2CN(CC#N)C[C@H]12)N1CCOCC1 1755429800 KKSDDWZDYOQKLI-ZSOGYDGISA-N 306.410 -0.085 30 20 DBED COCC#CCNCCC[C@@H](C)NC(=O)c1c[nH]c(=O)cn1 1755511749 PVMDTTGNIDOUIJ-GFCCVEGCSA-N 306.366 -0.092 30 20 DBED C=C(C)CCN[C@@H](CO)CNC(=O)c1cccnc1C(N)=O 1755646659 BDINCOKOSMBKOC-LLVKDONJSA-N 306.366 -0.173 30 20 DBED C[C@@H]1C[C@@H](NCC(=O)NCC#N)CN1C(=O)c1ccns1 1755676138 NTYDUEZBLLNFMW-NXEZZACHSA-N 307.379 -0.025 30 20 DBED CC(C)(O)CC(=O)N[C@@]12CCC[C@@H]1N(CC(=O)NCC#N)CC2 1755700175 ZPUDEWLPAKSCEZ-BLLLJJGKSA-N 322.409 -0.100 30 20 DBED C=CCCC(=O)N[C@@H](C)[C@H](C)NC(=O)CS(=O)(=O)NC 1755954578 NEGKBPNDGHMUBO-UWVGGRQHSA-N 305.400 -0.489 30 20 DBED C#CCCCC(=O)NC[C@@H](CO)NC(=O)Cc1cncn1C 1756515217 HXKMCZGYLCJGKX-LBPRGKRZSA-N 306.366 -0.641 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@H](CO)NC(=O)c1ccncc1C 1756515844 QLMGOULGWQPARC-BLLLJJGKSA-N 321.377 -0.076 30 20 DBED C#CCCCC(=O)NC[C@H](CO)NC(=O)c1cc(C#N)c[nH]1 1756515934 RPXDQOOLFDMVNX-GFCCVEGCSA-N 302.334 -0.103 30 20 DBED C=CCCCC(=O)N[C@@H]1CN(C(=O)C[C@H]2CCNC2=O)C[C@@H]1O 1757207368 UMPVHYLCVAGHOL-UPJWGTAASA-N 323.393 -0.443 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@H](O)[C@H](NC(=O)C2(CC)CC2)C1 1757208424 ICOBUWIZEXCWPA-UPJWGTAASA-N 308.378 -0.097 30 20 DBED N#Cc1ncn(CC(=O)N2CCC[C@H](C(=O)NC3CC3)C2)n1 1771626206 HPJSNRRWQGAEOT-JTQLQIEISA-N 302.338 -0.333 30 20 DBED C#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](C)CN)CCO2 1785423504 XDHMSLWNUNAZDV-CZUORRHYSA-N 307.394 -0.176 30 20 DBED CO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)S)C2 1801046689 WKEGRQSVDXFANC-CSYMLDBXSA-N 316.423 -0.071 30 20 DBED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)c1ccon1)C2 1846195171 LBXIWQQRBDTOKZ-UHFFFAOYSA-N 303.274 -0.420 30 20 DBED C[C@@H](C(=O)N1CCCC12CN(C(=O)CCC#N)C2)n1cnnn1 1846644919 DHVVJQHGNNEHFA-NSHDSACASA-N 317.353 -0.259 30 20 DBED COc1ccc(C#N)cc1NC(=O)C(=O)NCCNC(C)=O 50145470 BHXUJIATDVGHCH-UHFFFAOYSA-N 304.306 -0.242 30 20 DBED N#C[C@@H]1CN(C(=O)CCn2nnc3ccccc3c2=O)CCO1 106051590 DPQUTCRMZCMWTI-LLVKDONJSA-N 313.317 -0.067 30 20 DBED Cn1c(=O)c2nc(CN(CCC#N)CCC#N)[nH]c2n(C)c1=O 120402660 PBQBZOLRNSFNTH-UHFFFAOYSA-N 315.337 -0.410 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)C(C)(C)COC)CC1 131541786 LRZDWXQDTLYFBR-UHFFFAOYSA-N 309.410 -0.057 30 20 DBED COC[C@@](C)(C#N)NC(=O)CCn1nc2ccccn2c1=O 137218595 QLBTWOSTRQHMGZ-CQSZACIVSA-N 303.322 -0.069 30 20 DBED C[C@@H](CC#N)N(C)CC(=O)N1CCN(CC(=O)N(C)C)CC1 161726709 NUVJCWFYRLOVLV-ZDUSSCGKSA-N 309.414 -0.547 30 20 DBED C/N=C(/NCCN1CCCS1(=O)=O)N(C)Cc1ccon1 261727450 JBFYXQBVQVXGLU-UHFFFAOYSA-N 315.399 -0.283 30 20 DBED C=CCNC(=O)CNC(=O)N1CCN(c2ncc(F)cn2)CC1 273620958 DOHMOMMKTRDBPF-UHFFFAOYSA-N 322.344 -0.251 30 20 DBED C#Cc1cc(F)c(NC(=O)C(=O)N2C[C@H](O)[C@@H](O)C2)c(F)c1 283578967 KGAKWPQTPPPRTG-QWRGUYRKSA-N 310.256 -0.551 30 20 DBED Cc1noc(C/N=C(/O)N[C@H]2CCCN(S(C)(=O)=O)C2)n1 328828187 SXCJJBWQRJPTBA-VIFPVBQESA-N 317.371 -0.194 30 20 DBED CC/N=C(/O)CN1CCN(C(=O)CCN2C(=O)CCC2=O)CC1 328851452 RZMMMNDFMVFGOY-UHFFFAOYSA-N 324.381 -0.354 30 20 DBED N#Cc1ccc(NCC(=O)N2CCN(S(N)(=O)=O)CC2)cc1 330693765 AUMGBQUHQBPXRD-UHFFFAOYSA-N 323.378 -0.682 30 20 DBED CNS(=O)(=O)c1ccc(/C(O)=N/[C@H]2CCCNC2=O)cn1 331006719 HTJWVFZXBSBAIU-VIFPVBQESA-N 312.351 -0.427 30 20 DBED CC(C)OCCN1CCN(C(=O)Cn2cnc(C#N)n2)CC1 331163974 SCMSCRIBZDMDHB-UHFFFAOYSA-N 306.370 -0.281 30 20 DBED CN(C)S(=O)(=O)NCC/N=C(/O)NC[C@@H]1CCCCO1 331245158 SYPCMBCOFFPVAI-JTQLQIEISA-N 308.404 -0.545 30 20 DBED COc1cc(C(=O)NCC(=O)NCC#N)cc([N+](=O)[O-])c1OC 344149457 HXXZQEULONDDFR-UHFFFAOYSA-N 322.277 -0.018 30 20 DBED N#CC1(NC(=O)Cn2cc(S(N)(=O)=O)cn2)CCCCC1 344605700 NDOZSFDGJZAQIV-UHFFFAOYSA-N 311.367 -0.127 30 20 DBED C[C@@H]1CN(C(=O)C(=O)NCC(=O)NCC#N)c2ccccc2O1 357287186 JONJFXQXDOPZHS-SNVBAGLBSA-N 316.317 -0.444 30 20 DBED Cn1c(N2CC(O)(c3ccccc3)C2)c(C#N)c(=O)n(C)c1=O 376235012 NJGSWVZLBRGPPP-UHFFFAOYSA-N 312.329 -0.337 30 20 DBED N#CCCNC(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1 426418746 XYCRODSKFNZGMM-UHFFFAOYSA-N 302.338 -0.074 30 20 DBED C#CCNC(=O)CN1CCN([C@@H]2CCN(C(C)C)C2=O)CC1 491741612 PINNAMMVACNGHP-CQSZACIVSA-N 306.410 -0.637 30 20 DBED C=CCNc1ncc(C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)s1 566984465 KDIYIBRTCUSUKI-UWVGGRQHSA-N 321.406 0.125 30 20 DBED CN1C[C@@H]2CCCN(S(=O)(=O)N3CCO[C@H](C#N)C3)[C@@H]2C1 572115272 XZROSXHXIKPLPT-YNEHKIRRSA-N 314.411 -0.518 30 20 DBED N#Cc1cccc(NC(=O)NC[C@H]2CS(=O)(=O)CCO2)n1 583933119 AMLPSOCLHNPOTQ-JTQLQIEISA-N 310.335 -0.112 30 20 DBED N#CC[C@]1(O)CCN(CC(=O)N2CCN(C(=O)C3CC3)CC2)C1 592146118 DKBPCGQXYUZKFG-INIZCTEOSA-N 320.393 -0.582 30 20 DBED CN(C)CCN1C[C@H](C(=O)N2CC[C@@](O)(CC#N)C2)CC1=O 592846522 WYTAYUVWSKOKMI-DOMZBBRYSA-N 308.382 -0.726 30 20 DBED Cn1c(NCc2ncc3c(n2)CCC3)c(C#N)c(=O)n(C)c1=O 596263187 ACCVMBJVBSBJOJ-UHFFFAOYSA-N 312.333 -0.154 30 20 DBED CC(C)(C)[C@H](C#N)NC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1 597351378 QGNKZESWXKHZQL-ZJUUUORDSA-N 302.400 -0.044 30 20 DBED N#Cc1ccc(C(=O)N2CCCC[C@@H]2CNS(N)(=O)=O)nc1 597740030 ZXECXVRIIIEQON-LLVKDONJSA-N 323.378 -0.259 30 20 DBED Cc1cc(C)n(CC(=O)N2CCN(CCC#N)CC2)c(=O)n1 602204431 OTJKBSZOVZPKIJ-UHFFFAOYSA-N 303.366 -0.082 30 20 DBED COCCCS(=O)(=O)NCC(=O)N1CC[C@@](F)(C#N)C1 615583522 UEHBFIFJHUYYGK-LLVKDONJSA-N 307.347 -0.594 30 20 DBED C=CCn1cc(CNC(=O)C(=O)NCC2(C(=O)O)CCC2)nn1 659658708 BUJCFLXZHVAPCV-UHFFFAOYSA-N 321.337 -0.549 30 20 DBED C=CCS(=O)(=O)CCNC(=O)NC[C@@]1(O)CCO[C@H]1C 789173344 MZRITVLKOJDKPQ-JQWIXIFHSA-N 306.384 -0.574 30 20 DBED CNC(=O)CNC(=S)NN=Cc1ccnn1CCCOC 802711511 QWALIQZWIZBDIJ-UHFFFAOYSA-N 312.399 -0.536 30 20 DBED C#CCCS(=O)(=O)N1CCC(N2CCC[C@H]2C(N)=O)CC1 808286807 BXLPRIXLNJBHQD-ZDUSSCGKSA-N 313.423 -0.246 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@H](COC)[C@H]1CCCO1)[C@H]1CCCO1 809305267 ANXVRXCIGKOXPJ-REWJHTLYSA-N 324.377 -0.406 30 20 DBED N#Cc1ccc(CS(=O)(=O)CC(=O)N[C@@H]2COC(=O)C2)cc1 816677719 DEUSEEGNGPCPEY-LBPRGKRZSA-N 322.342 -0.095 30 20 DBED C#CCN(CC(=O)N(C)C[C@H](O)CO)C(=O)OC(C)(C)C 831565985 HJEIDUHJFYUBET-NSHDSACASA-N 300.355 -0.332 30 20 DBED CC1(C)NC(=O)N(CCCC(=O)N[C@H]2CNC[C@@H]2C#N)C1=O 834499376 HYCRPZUVAQJEME-UWVGGRQHSA-N 307.354 -0.675 30 20 DBED C#C[C@H](NC(=O)NCCOCCS(N)(=O)=O)C(C)(C)C 854139012 CBWXBXYXNAKHBY-JTQLQIEISA-N 305.400 -0.361 30 20 DBED C[C@@H](C(=O)N[C@H]1CCCN(O)C1=O)n1cnc2c(N)ncnc21 854648413 CSQPBDHMXIMRAL-YUMQZZPRSA-N 319.325 -0.534 30 20 DBED C#CC[C@H](CCOC)NS(=O)(=O)N1CCO[C@@H](C#N)C1 859423614 HGJDNYLVKLOFJZ-NEPJUHHUSA-N 301.368 -0.526 30 20 DBED C#CCn1cc(CNC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)cn1 861366774 QTQDRDOWTSRUNT-ZDUSSCGKSA-N 324.406 -0.196 30 20 DBED C#CC1(O)CN(C(=O)Cc2cccc(OCC(=O)NC)c2)C1 890522926 SCZAZBAMKLYAKI-UHFFFAOYSA-N 302.330 -0.440 30 20 DBED C#C[C@@H](NC(=O)C(=O)N1CCc2ncncc2C1)[C@@H]1CCCO1 898003713 OQDCCNGONAXWDF-OCCSQVGLSA-N 314.345 -0.342 30 20 DBED C#CC[C@@H](CO)NC(=O)N[C@H]1CCN(CCN2CCOCC2)C1 919070070 FRBSRGJDZLZMOX-GJZGRUSLSA-N 324.425 -0.924 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2CCCCN2C(=O)C(N)=O)cn1 937467024 RRORPDVBWKDPRP-ZDUSSCGKSA-N 314.345 -0.341 30 20 DBED CC(=O)N1CC(C(=O)NCC2CCN(C(=O)[C@@H](C)C#N)CC2)C1 949391016 OTGGDIALDHPMPV-NSHDSACASA-N 320.393 -0.021 30 20 DBED N#Cc1cc(C(=O)NC[C@@H]2CCN2C(=O)[C@H]2C[C@H]2C(N)=O)c[nH]1 949497176 FXSHVKCOZPATES-TUAOUCFPSA-N 315.333 -0.662 30 20 DBED C=CCn1cc(C(=O)N2CCN(Cc3cnon3)CC2)nn1 951559901 VCSOTTWRVAFANA-UHFFFAOYSA-N 303.326 -0.195 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@](C)(NC(=O)c2nccnc2N)C1 956778101 DSIODRARNAJVHF-LKFCYVNXSA-N 302.338 -0.061 30 20 DBED CC(=O)N1CC(C(=O)N[C@]2(C)CCN(C(=O)C#CC3CC3)C2)C1 956862585 XFMZNBJTGXNOMI-QGZVFWFLSA-N 317.389 -0.015 30 20 DBED C=CCN1C[C@@H](O)[C@H](CNC(=O)c2cnc(N(C)C)cn2)C1 958070225 YJDVJHPUGOCMEC-DGCLKSJQSA-N 305.382 -0.249 30 20 DBED Cc1cc(C(=O)N2CCO[C@@H]3CN(C(=O)[C@@H](C)C#N)C[C@@H]32)n[nH]1 960094030 KXFPEXAKZHXILO-TVYUQYBPSA-N 317.349 -0.070 30 20 DBED C#CCN1C[C@H]2[C@H](NC(=O)[C@H]3CCc4nnc(O)n4C3)[C@H]2C1 960661257 ZAMXCHQFJCCXSH-MEWQQHAOSA-N 301.350 -0.774 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CCCN(C(=O)Cn3cncn3)[C@@H]2C1 963848913 FSOFVCNHFHLKJT-FRRDWIJNSA-N 316.365 -0.113 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCCN(C(=O)C(N)=O)CC2)nn1 964907748 UZQPXKZANFMZID-SNVBAGLBSA-N 320.353 -0.940 30 20 DBED C=C1CC(C)(C(=O)N2CC3(C[C@@H](NC(=O)C(N)=O)CO3)C2)C1 965789644 KUTJPFAIRKWBGL-SNVBAGLBSA-N 307.350 -0.686 30 20 DBED C#Cc1ccc(C(=O)N(CC)C2CN(C(=O)CC(N)=O)C2)cn1 968197615 XGRSXJOYEUNGTO-UHFFFAOYSA-N 314.345 -0.389 30 20 DBED CC(C)n1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)cn1 968939612 DYHFRKSCGMEOHY-UHTWSYAYSA-N 319.365 -0.075 30 20 DBED C=C(C)C(C)(C)C(=O)N1C[C@H](O)[C@H](NC(=O)[C@@H]2CCNC2=O)C1 969527215 VCNLNOHXAIJYCJ-UTUOFQBUSA-N 323.393 -0.587 30 20 DBED C#CCN1CC([C@H](C)NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 969668264 QHSRJJWTFPHTQG-RYUDHWBXSA-N 315.377 -0.168 30 20 DBED C[C@@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)[C@H]1COCCN1C)C2 969804712 GFJUIDPESDUEHA-XDQVBPFNSA-N 320.393 -0.322 30 20 DBED C[C@@]1(C(=O)N2CC[C@@]3(CN(CC#N)CCO3)C2)CNC(=O)C1 972480007 GDNQCIMOIBJEBO-LSDHHAIUSA-N 306.366 -0.661 30 20 DBED C=CCN(C)[C@@H]1CCN(C(=O)C2(n3cnnn3)CCOCC2)C1 972521453 RINIGBPSILWYOS-CYBMUJFWSA-N 320.397 -0.103 30 20 DBED Cn1cnc(C(=O)N[C@H]2C[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)n1 973183694 WFDDEPSOUCJLJZ-MGCOHNPYSA-N 313.321 -0.294 30 20 DBED C=CCCN1C[C@H](NC(=O)Cn2ncn(C)c2=O)C(C)(C)C1 974764360 VFTRHGXXYNUJAD-LBPRGKRZSA-N 307.398 -0.016 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)c3cnn(C)n3)C[C@H]21 974975951 SBCUAKXJJXSVFA-CKYFFXLPSA-N 302.338 -0.352 30 20 DBED N#CCN1C[C@H]2[C@H](CNC(=O)C3CC4(C3)CS(=O)(=O)C4)[C@H]2C1 978359681 UJZIRPTWFOQXGU-XYYAHUGASA-N 323.418 -0.371 30 20 DBED Cn1nnc2c(C(=O)NCC3[C@H]4CN(CC#N)C[C@H]34)ccnc21 978638145 GRYRFKMMZQXUCQ-VXGBXAGGSA-N 311.349 -0.206 30 20 DBED Cc1nn(CC(=O)N[C@@H]2CCC[C@H](NCC#N)C2)c(=O)n1C 981488214 VCSNZVUCZSQGQQ-NWDGAFQWSA-N 306.370 -0.569 30 20 DBED C#Cc1cncc(C(=O)NC[C@H]2CCN(C(=O)CC(N)=O)C2)c1 982568055 KDDXYLMMKKTSAF-GFCCVEGCSA-N 314.345 -0.483 30 20 DBED Cc1[nH]nc(C(=O)NC2CN(C(=O)c3ccc(C#N)[nH]3)C2)c1O 990864875 NZYNYYCNUZCAOZ-UHFFFAOYSA-N 314.305 -0.122 30 20 DBED Cn1cc(C(=O)N2CC(NC(=O)c3ccc(C#N)[nH]3)C2)nc1O 990891994 AIEYQWCFXIPQQH-UHFFFAOYSA-N 314.305 -0.420 30 20 DBED C=C(Cl)C(C)(C)C(=O)N1CC[C@H](NC(=O)C(N)=O)[C@@H](O)C1 991728421 MKWVAAWARTYFJI-IUCAKERBSA-N 317.773 -0.672 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)Cn3cnnn3)C[C@]2(C)C1 992565443 NEEDDAUFIYUJFK-UHIISALHSA-N 317.353 -0.860 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)Cc3nc[nH]n3)C[C@]2(C)C1 993466182 FVFCXSDFEBESLN-JRPNMDOOSA-N 316.365 -0.186 30 20 DBED C=CCn1cccc1C(=O)NC1CN(C(=O)[C@H]2COC(=O)N2)C1 994195245 TZCXCKBBZXXWGY-LLVKDONJSA-N 318.333 -0.277 30 20 DBED C#CCN1CCC[C@H](NC(=O)c2nccnc2C(N)=O)[C@@H]1C 994380267 WOSJNYHALWTMIE-QWRGUYRKSA-N 301.350 -0.209 30 20 DBED N#Cc1c[nH]c(C(=O)NCC2CN(C(=O)Cn3nccn3)C2)c1 1001358488 YOYMCINKONTEDD-UHFFFAOYSA-N 313.321 -0.634 30 20 DBED CO[C@H]1C[C@H](C(=O)N2[C@H]3CC[C@H]2CN(CC#N)C3)N(C(C)=O)C1 1017773625 UJPKKRHUSJNTIR-ZQDZILKHSA-N 320.393 -0.179 30 20 DBED C#CCN1CC[C@H]2[C@H](CCCN2C(=O)CN2C(=O)CNC2=O)C1 1021728669 AWNBICBBFRPPGN-OLZOCXBDSA-N 318.377 -0.516 30 20 DBED O=C(N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O)c1ccc(F)nc1 1023214076 BPJIIFQCJHZVQD-CHWSQXEVSA-N 317.320 -0.064 30 20 DBED Cn1cnc(C(=O)N2C[C@H]3[C@@H](NCC#N)CC[C@H]3C2)cc1=O 1026287254 QMKDKJTUQSFWJR-TUAOUCFPSA-N 301.350 -0.256 30 20 DBED N#CCN[C@@H]1CC[C@H]2CN(C(=O)CN3C(=O)CCC3=O)C[C@@H]21 1026416045 PLNGXUFTEPWQPA-SDDRHHMPSA-N 304.350 -0.514 30 20 DBED N#CCN1[C@H]2CC[C@H]1CN(C(=O)[C@H]1CCc3nnnn3CC1)C2 1029483009 DYVPQTBJLCVESR-AVGNSLFASA-N 315.381 -0.176 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)C[C@@H]3COC(=O)C3)C2)C1=O 1030216877 MXYICEFOUCJMGC-WCQYABFASA-N 321.377 -0.473 30 20 DBED N#CCN1CCO[C@H](CNC(=O)[C@@H]2CCn3ccnc3C2)C1 1035418406 HIVZMGAQNMJXFB-CHWSQXEVSA-N 303.366 -0.214 30 20 DBED N#CCN1CCO[C@H](CNC(=O)c2nnc3ccccc3n2)C1 1035448104 NDEROKPZHBUKNY-LLVKDONJSA-N 312.333 -0.021 30 20 DBED C=CCCN1CCO[C@H](CNC(=O)[C@@H]2CCS(=O)(=O)N2)C1 1035614236 PBTGRSWUUSIROI-NEPJUHHUSA-N 317.411 -0.929 30 20 DBED C[C@@H]1CN(C(=O)CN2C(=O)NC(C)(C)C2=O)CC[C@H]1NCC#N 1036283723 VRJHBDBOGCERLN-GHMZBOCLSA-N 321.381 -0.333 30 20 DBED CC#CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1nc(O)nc(O)c1OC 1037669951 BOAGBGDGLITWHK-KXUCPTDWSA-N 318.333 -0.278 30 20 DBED C#CCCCC(=O)NC[C@]1(O)CCN(C(=O)[C@H]2CCNC2=O)C1 1039580561 WPJPZDFZVJVBII-BLLLJJGKSA-N 321.377 -0.994 30 20 DBED O=C(C#CC1CC1)NC[C@]1(O)CCN(C(=O)Cc2ccon2)C1 1039677079 DHDFSSYQLYKGPL-MRXNPFEDSA-N 317.345 -0.290 30 20 DBED C=CCCCC(=O)NC[C@@]1(O)CCN(C(=O)c2nnn(C)n2)C1 1040730122 WQKKKVIXQJDPFH-AWEZNQCLSA-N 322.369 -0.740 30 20 DBED C[C@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)CCCCN(C)C)C1 1040758877 CFRHNWIWKZMFSF-CZUORRHYSA-N 324.425 -0.042 30 20 DBED Cc1cnn(CC(=O)N2CC[C@@](O)(CNC(=O)[C@H](C)C#N)C2)c1 1040764518 WVIBOPMZGAACTD-IUODEOHRSA-N 319.365 -0.569 30 20 DBED N#Cc1cnc(N2C[C@@H](O)[C@H](NC(=O)c3ccncc3)C2)cn1 1040910083 UHGOIUVMNPSKND-CHWSQXEVSA-N 310.317 -0.277 30 20 DBED N#CCN1CC[C@H]2CCN(C(=O)CN3CCOCC3=O)C[C@H]21 1042098771 RZUCNYCFDUJRLH-QWHCGFSZSA-N 306.366 -0.708 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)C[C@@H]2CCOC2)C1 1042259364 LDCFUWXZYQZLIL-ZDUSSCGKSA-N 324.377 -0.858 30 20 DBED C#CCN1CC[C@@H]2CCN(C(=O)c3nccnc3C(N)=O)C[C@@H]21 1042350261 XLMHQKDJTYCOSZ-NEPJUHHUSA-N 313.361 -0.255 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)COC(C)(C)C)C1 1042660987 LOZJJTGWPNIQJS-UHFFFAOYSA-N 314.382 -0.306 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)Cc2cncnc2)C1 1042820746 PJHNHDJPBNOXGF-UHFFFAOYSA-N 318.377 -0.079 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)c2nc(C)c[nH]2)C1 1043042740 VUNWUAXWFHXOAN-LLVKDONJSA-N 320.349 -0.940 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)c2ccn(C)n2)C1 1043119035 SGEIINHPVMBIQI-UHFFFAOYSA-N 304.350 -0.473 30 20 DBED CC#CCN1CC(N(C)C(=O)c2ccc(S(N)(=O)=O)o2)C1 1043218036 CUEVUXFWPWTNST-UHFFFAOYSA-N 311.363 -0.294 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)CC[C@H]2CCCO2)C1 1045540184 DUIGNYKNNONMNO-NWDGAFQWSA-N 309.366 -0.205 30 20 DBED CN(C)CCC(=O)NCC1(O)CN(C(=O)c2ccc(C#N)[nH]2)C1 1045710116 BWSYEVNBJOQCEU-UHFFFAOYSA-N 319.365 -0.859 30 20 DBED N#CCN1CC[C@@H](N2CCN(C(=O)Cc3ncc[nH]3)CC2)C1 1046074118 SGJJJDFGDZIABU-CYBMUJFWSA-N 302.382 -0.306 30 20 DBED CCn1cc(C(=O)N2CCN([C@@H]3CCN(CC#N)C3)CC2)nn1 1046074458 BJNRALMVZWPVCZ-CYBMUJFWSA-N 317.397 -0.346 30 20 DBED N#CCN1CC[C@@H](N2CCN(C(=O)Cc3nc[nH]n3)CC2)C1 1046076528 DWYGAEDCKKGTIC-GFCCVEGCSA-N 303.370 -0.911 30 20 DBED C=C1CC(C)(C(=O)NCC2(O)CN(C(=O)Cn3cncn3)C2)C1 1046312453 YGRSPLSLHPGCEH-UHFFFAOYSA-N 319.365 -0.676 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccnc3nc(C)nn23)C1 1047593259 BUVYFRGNRIYZKK-STQMWFEESA-N 314.349 -0.817 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2nonc2C)C1 1049035060 PGOLQNKVESCUNF-QWRGUYRKSA-N 324.337 -0.776 30 20 DBED N#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)CN1CCNC(=O)C1 1049640944 YGPJAKGUBTXOGG-QWHCGFSZSA-N 305.382 -0.993 30 20 DBED C[C@@H]1[C@@H](NC(=O)Cc2nc[nH]n2)CCN1c1ccc(C#N)nn1 1050597560 MXGRMYAJXMCDIA-KOLCDFICSA-N 312.337 -0.208 30 20 DBED CNC(=O)CN1CCOC[C@H]1CNC(=O)c1c[nH]c(C#N)c1 1050878700 XAPUPDRXNSHTTI-GFCCVEGCSA-N 305.338 -0.937 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)c1nc(C)c(C)nc1O 1050978746 MWGVOMBIULJCJZ-LBPRGKRZSA-N 304.350 -0.137 30 20 DBED C#CCN1CCN([C@@H]2CCN(C(=O)c3nccnc3N)C2)CC1 1051999202 GGCCODIZJUKWFB-CYBMUJFWSA-N 314.393 -0.476 30 20 DBED C=CCCN1CCN([C@H]2CCN(C(=O)[C@H]3CCNC3=O)C2)CC1 1052059987 VPMJMYWQGJERFA-GJZGRUSLSA-N 320.437 -0.083 30 20 DBED C#CCN1CCN([C@H]2CCN(C(=O)[C@]3(F)CCOC3)C2)CC1 1052071563 VYKGUMVYMZGIPJ-HOCLYGCPSA-N 309.385 -0.033 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)[C@@H]1CCN(C)C1=O)CCO2 1053383544 YVLXCIHQAVKANR-CYBMUJFWSA-N 305.378 -0.599 30 20 DBED C[C@@H](C(=O)N[C@H]1COC2(C1)CN(CC#N)C2)N1CCCCC1=O 1054016850 MEKAWNJWTKRKRA-QWHCGFSZSA-N 320.393 -0.130 30 20 DBED N#Cc1cncc(N2CCN(C(=O)C3=COCCO3)CC2)n1 1055713093 YMTMFOQQQYJCDY-UHFFFAOYSA-N 301.306 -0.115 30 20 DBED C[C@@H](C(=O)N[C@H]1[C@@H]2CN(c3ccc(C#N)nn3)C[C@@H]21)n1cncn1 1056167627 CWNIPUBQPDTPRP-PQFRYHKHSA-N 324.348 -0.248 30 20 DBED Cc1nc(CC(=O)NC2[C@@H]3CN(c4nccnc4C#N)C[C@@H]23)n[nH]1 1056203526 NWUCYQUPOLJOQE-NXEZZACHSA-N 324.348 -0.432 30 20 DBED CCn1ncc(C(=O)NC2[C@H]3CN(c4nccnc4C#N)C[C@H]23)n1 1056203662 UGUDDFDFXXNWFN-UWVGGRQHSA-N 324.348 -0.176 30 20 DBED C=CCOCC(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)CC(=O)NC 1056312270 ZJKSNPBPWKQOHU-CHWSQXEVSA-N 323.393 -0.083 30 20 DBED Cn1nnc(C(=O)NC2[C@H]3CN(c4ccncc4C#N)C[C@H]23)n1 1056372130 IIYFKLSSOYILKQ-UWVGGRQHSA-N 310.321 -0.659 30 20 DBED CN(c1nccnc1C#N)[C@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1 1056947385 BRAKDNNYVSLLFN-QWRGUYRKSA-N 314.349 -0.336 30 20 DBED C=CC(C)(C)C(=O)NCCN(CCO)C(=O)CNC(=O)CC 1057213013 CAFYLJFBPQSLCJ-UHFFFAOYSA-N 313.398 -0.338 30 20 DBED C#CCOCCC(=O)NCCN(CCO)C(=O)C#CC(C)C 1057524964 YOTRIXBYEBMOAJ-UHFFFAOYSA-N 308.378 -0.377 30 20 DBED C=CCCOCC(=O)N(CCO)CCNC(=O)[C@@H](C)OCC 1057918816 ARWHQRLHNPMRDS-CYBMUJFWSA-N 316.398 -0.059 30 20 DBED N#Cc1nccnc1N1CCC[C@@H](NC(=O)[C@H]2COC(=O)N2)C1 1058152204 MFPGBJLWOZVORX-MWLCHTKSSA-N 316.321 -0.458 30 20 DBED CCn1cnc(C(=O)N(CCO)CCNC(=O)[C@H](C)C#N)c1 1058164703 AEIYZRCBHYDIAR-LLVKDONJSA-N 307.354 -0.387 30 20 DBED CN1CC[C@H](C(=O)N[C@H]2CCN(c3nccnc3C#N)C2)C1 1058373414 HWOHBOUBXGYGNT-RYUDHWBXSA-N 300.366 -0.005 30 20 DBED CC(=O)N1CC(C(=O)N2CC[C@H](Nc3cncc(C#N)n3)C2)C1 1058855822 MJUJZWVDNOEVJV-LBPRGKRZSA-N 314.349 -0.161 30 20 DBED N#Cc1nc(=N[C@H]2CCN(C(=O)[C@]3(F)CCOC3)C2)cc[nH]1 1059041553 SHPLMHAISKMVTN-HZMBPMFUSA-N 305.313 -0.088 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H]1CC[C@H](NC(=O)COC)CC1 1060641427 DXOUUUDVCWYZQB-JOCQHMNTSA-N 323.393 -0.437 30 20 DBED CO[C@@H](C)C(=O)N1CCOC[C@@H]1CNC(=O)CSCC#N 1061318475 UJKMUBGCGJALLL-QWRGUYRKSA-N 315.395 -0.378 30 20 DBED N#Cc1nccc(N2CCC[C@H]2CNC(=O)[C@@H]2CNC(=O)N2)n1 1061440950 LUXKCSFDRNXHLC-UWVGGRQHSA-N 315.337 -0.885 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H]1COCCN1C(=O)CC1CC1 1061516753 ZMNPQGLLXFULRA-ZDUSSCGKSA-N 321.377 -0.730 30 20 DBED C=CCOCC(=O)N1CCOC[C@@H]1CNC(=O)c1cncnc1 1061521845 JLRHWELERJCPQD-ZDUSSCGKSA-N 320.349 -0.364 30 20 DBED N#Cc1cnccc1N1CC[C@@H](CNC(=O)[C@H]2CNC(=O)N2)C1 1061717626 GFRVBJMIGSUZNE-CMPLNLGQSA-N 314.349 -0.423 30 20 DBED N#Cc1ccc(N2C[C@@H]3C[C@H]2CN3C(=O)Cn2ncnn2)nc1 1062531508 JMHXRINENACVDN-RYUDHWBXSA-N 310.321 -0.571 30 20 DBED CC(C)C#CC(=O)NCC1(NC(=O)[C@@H]2CCNC2=O)CCC1 1062964686 IYTBZOBQVIJTBT-GFCCVEGCSA-N 305.378 -0.063 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CN(C(=O)C2CCOCC2)CCO1 1064742581 WNMBUUDXIWWKAA-AAEUAGOBSA-N 309.366 -0.084 30 20 DBED C=CCOCC(=O)N1CCO[C@@H](CNC(=O)CCOCC)C1 1064976651 NHKUWAZEYIHKIU-ZDUSSCGKSA-N 314.382 -0.041 30 20 DBED CC(C)C#CC(=O)N1CCO[C@H](CNC(=O)Cn2cccn2)C1 1065124495 OAJURMMOHIVOJX-CQSZACIVSA-N 318.377 -0.114 30 20 DBED COC[C@H](OC)C(=O)NC[C@@H]1CN(C(=O)C#CC2CC2)CCO1 1065137200 OCMHBIPWJLFLLY-KGLIPLIRSA-N 324.377 -0.595 30 20 DBED C=CCCOCC(=O)N1CCO[C@@H](CNC(=O)[C@@H](C)OC)C1 1065280918 TVHNBJAXEBEJIN-OLZOCXBDSA-N 314.382 -0.042 30 20 DBED C#Cc1ccc(C(=O)N2CCO[C@@H](CNC(=O)COC)C2)cn1 1065401077 JQMKGGBMSLNIJU-AWEZNQCLSA-N 317.345 -0.334 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)Cc2cnc[nH]2)C1 1065557390 QFSHDPTVDWCQLV-JQWIXIFHSA-N 305.338 -0.545 30 20 DBED N#Cc1cncc(NC[C@H]2CN(C(=O)c3nc[nH]n3)CCO2)n1 1066637455 FUSNCTVMRKAVMQ-JTQLQIEISA-N 314.309 -0.581 30 20 DBED N#Cc1nccnc1N1C[C@H](CNC(=O)c2cocn2)[C@@H](O)C1 1067652760 FRNFKKQQGIEYDK-CABZTGNLSA-N 314.305 -0.437 30 20 DBED N#Cc1cnc(N2C[C@@H](O)[C@@H](CNC(=O)c3cocn3)C2)cn1 1067653510 LGMNKVSTOBLUAY-JOYOIKCWSA-N 314.305 -0.437 30 20 DBED C=CCCC(=O)N[C@@H]1COC2(C1)CN(C(=O)CC(=O)NCC)C2 1068753892 VDDLNCUBSOABSG-LBPRGKRZSA-N 323.393 -0.035 30 20 DBED CN(C(=O)[C@H]1CNC(=O)N1)C1CC(N=c2cc[nH]cc2C#N)C1 1069792305 JRELBDDCVBOSRU-GCZXYKMCSA-N 314.349 -0.542 30 20 DBED N#CCN1CCn2ncc(CNC(=O)c3cnnc(O)c3)c2C1 1069864102 ZBGHOGJJYBMBCV-UHFFFAOYSA-N 313.321 -0.352 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H]2CCNC(=O)C2)C1 1069907357 URJBFYANRMBGIT-UPJWGTAASA-N 318.381 -0.668 30 20 DBED N#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2csnn2)C1 1069989119 AXTBTTDEOUPIQI-SCZZXKLOSA-N 304.339 -0.692 30 20 DBED C=CCN[C@@H]1CN(C(=O)[C@H]2CCN(C)C2)C[C@@H]1n1ccnn1 1070326874 GZIMRJSVSOVJLS-MJBXVCDLSA-N 304.398 -0.243 30 20 DBED C#CCN1CCOC[C@H]1c1n[nH]c(CNC(=O)[C@H]2CCCO2)n1 1070578569 HRHJBEQWAJMUTR-NWDGAFQWSA-N 319.365 -0.394 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCC[C@@H](NC(=O)Cn2nccn2)C1 1070672497 KQPSIRJUGMOUCG-DOMZBBRYSA-N 321.381 -0.288 30 20 DBED Cn1nccc1C(=O)N1C[C@H]2C[C@@H]3CN(CC#N)C[C@]2(C1)O3 1070772976 PRONRAFDSBCCMN-LALPHHSUSA-N 301.350 -0.141 30 20 DBED Cn1ccc(CC(=O)N2CCC(=O)NCCN(CC#N)CC2)n1 1070963347 NBKXCZYKARDDLB-UHFFFAOYSA-N 318.381 -0.863 30 20 DBED C=CCN1C[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)CC[C@H]1C 1071860315 HIXBFFLBOAEHCM-VXGBXAGGSA-N 320.393 -0.147 30 20 DBED C#CCOCCC(=O)N1C[C@H](C)[C@@H](NC(=O)c2cnnn2C)C1 1072097985 UIKVEFMFTIHYNX-RYUDHWBXSA-N 319.365 -0.568 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)[C@H]2CCCN(C(N)=O)C2)C1 1073687543 UZICHMCZJISLSU-UONOGXRCSA-N 322.409 -0.383 30 20 DBED CN1CCCC[C@H](C(=O)NC[C@@H]2CN(CC#N)CCCO2)C1=O 1073854148 XQOFCUIRPGRSIM-ZIAGYGMSSA-N 322.409 -0.024 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(O)(CNC(=O)[C@@H](C)CC(N)=O)CC1 1074706964 SDSBBJHCZOHTPC-QWRGUYRKSA-N 324.381 -0.873 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H](C)CCNC(=O)COCCOC 1075957097 OWWAVMYQXAQTOD-STQMWFEESA-N 314.382 -0.301 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)CC(N)=O 1075999212 WONXJLQKEMFYLE-TUAOUCFPSA-N 311.382 -0.146 30 20 DBED CC(C)C#CC(=O)N[C@@H](C)CCNC(=O)[C@@H]1COCCN1C 1076205553 HXAZVYMJHIADRG-KBPBESRZSA-N 309.410 -0.013 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)c2ncccc2NC(C)=O)C1 1077106147 ZLEDIXKGDBXPAT-ZIAGYGMSSA-N 316.361 -0.162 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(CC(=C)Cl)C[C@H]1O 1077158793 ZCMLAGVKUKIWKI-HZSPNIEDSA-N 311.813 -0.002 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)Cc2cc(CC)nn2C)C1 1077423823 RYRXCHUVGYJDHE-HUUCEWRRSA-N 304.394 -0.290 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2COCCN2CC(F)F)C1 1077448808 IEKBUMYDKQKSLW-IJLUTSLNSA-N 319.352 -0.700 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCCN2C(N)=O)C1 1077981432 NTVGWBMUPRZWFR-JHJVBQTASA-N 308.382 -0.896 30 20 DBED N#CCN[C@@H]1C[C@@H](NC(=O)Cn2c(O)nnc2O)C12CCC2 1078793986 DDAMWTSXHJDWCX-RKDXNWHRSA-N 306.326 -0.770 30 20 DBED C#CCOCCC(=O)N1CC(N(CC)C(=O)[C@H](C)NC(C)=O)C1 1079266891 GMPBRYIPEDSONE-LBPRGKRZSA-N 323.393 -0.390 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(N(CC)C(=O)c2cnnn2C)C1 1079700318 UMBCARSHEJGXBC-OAHLLOKOSA-N 321.381 -0.185 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)C2=COCCO2)C[C@@H]1O 1081441295 GPFCMVVRSAOVOJ-OLZOCXBDSA-N 322.361 -0.386 30 20 DBED C#CCCN1C[C@@H](NC(=O)c2cn(CCOC)nn2)[C@H](OC)C1 1081651945 GDBKFUCSKNZIJC-TZMCWYRMSA-N 321.381 -0.623 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1cn(C)c(C)cc1=O 1081823489 OEIXVNHIOKXEND-TZMCWYRMSA-N 304.350 -0.354 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@H]1CCc2cnn(C)c2C1 1082067486 NWZDVROOPGZVHU-NJZAAPMLSA-N 317.393 -0.136 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)C[C@@H]2CCC(=O)N2C)C1 1083693464 JHROPVJECPNJSF-TUAOUCFPSA-N 315.801 -0.089 30 20 DBED C#CCCN1CC[C@@H]2CN(C(=O)[C@H]3COCCN3C(C)=O)[C@@H]2C1 1084841421 VDHLPOAGGRZFCC-BZUAXINKSA-N 319.405 -0.210 30 20 DBED C#CCN1CC[C@H]1CN(C)C(=O)c1nc(C)n(-c2nc[nH]n2)n1 1085752337 CRFAELVCUOQWQD-NSHDSACASA-N 314.353 -0.527 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2ccnc3ccnn23)[C@H](O)C1 1090324090 UXTINXFKGBQFHL-ZYHUDNBSSA-N 300.322 -0.582 30 20 DBED C=CCN1CC[C@H](NC(=O)c2cnc3n2CCOC3)[C@H](O)C1 1090336039 DKPYVWLMAXQNNX-WCQYABFASA-N 306.366 -0.236 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2cn(C)c(C)cc2=O)[C@H](O)C1 1090342091 NVEFPLTXEVCZJA-UKRRQHHQSA-N 303.362 -0.508 30 20 DBED COc1c(C(=O)N[C@@H]2CCN(CC#N)C[C@@H]2O)c(C)nn1C 1090616894 SGWSLIPDSXBNDI-MNOVXSKESA-N 307.354 -0.574 30 20 DBED N#Cc1cnc(N[C@H]2C[C@@H](CNC(=O)Cn3cncn3)C2)cn1 1091345253 XRCSTBBMAMUNPN-PHIMTYICSA-N 312.337 -0.053 30 20 DBED CC#CCN1C[C@@H]2CN(C(=O)C3CC(=O)NC(=O)C3)C[C@]2(C)C1 1092096955 LKSLLODTJARSDV-DYVFJYSZSA-N 317.389 -0.157 30 20 DBED CN1CC[C@@H](C(=O)N[C@H]2CC3(CN(CC#N)C3)n3ccnc32)C1 1092413565 WHTCJJAVOUHSOF-OLZOCXBDSA-N 314.393 -0.070 30 20 DBED CCc1nc(C#N)cc(N2CCN(C(=O)CNC(N)=O)CC2)n1 1093132554 GXXXYNVUOAHGBA-UHFFFAOYSA-N 317.353 -0.772 30 20 DBED CC(=O)N1CCO[C@@H](C(=O)NC[C@@H]2CN(CC#N)C[C@H]2C)C1 1093170451 SIERIRLAXVMNFG-MRVWCRGKSA-N 308.382 -0.559 30 20 DBED C[C@H](CC(=O)N1CC[C@@H](Nc2nccnc2C#N)C1)NC(N)=O 1095062316 WTNHJGDJYWLLJM-NXEZZACHSA-N 317.353 -0.192 30 20 DBED CC[C@H](NC(C)=O)C(=O)N[C@H]1CCN(c2ccc(C#N)nn2)C1 1096487044 ZXZCCVGVKKYGRS-STQMWFEESA-N 316.365 -0.042 30 20 DBED COC[C@H](OC)C(=O)NC[C@@H](N=c1cc[nH]c(C#N)n1)C1CC1 1096811533 QBQPIKHWZSQRJB-NEPJUHHUSA-N 319.365 -0.262 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCCC(=O)N1C)N=c1cc[nH]c(C#N)n1 1097985352 MXMXOVGSLFSMNK-WDEREUQCSA-N 316.365 -0.302 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1C)N=c1cc[nH]cc1C#N 1098200353 UVHPXIXOMRZQCJ-GWCFXTLKSA-N 301.350 -0.087 30 20 DBED CN1CC[C@H](C(=O)N2CC[C@H](n3cc(CNCC#N)nn3)C2)C1 1098780389 UQUQSSIJYKHMSY-JSGCOSHPSA-N 317.397 -0.384 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2cnccn2)[C@@H](O)C1 1099622712 CFAWBZVDOZFBBY-OCCSQVGLSA-N 304.350 -0.709 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)c2ncn(C)n2)[C@H](O)C1 1099802395 VAIRSZOQRWFQBZ-VXGBXAGGSA-N 309.370 -0.817 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)Cn2nccn2)[C@H](O)C1 1099844522 IUTDSWMCLPATTI-CHWSQXEVSA-N 309.370 -0.968 30 20 DBED C#CCN1CC[C@H](NC(=O)COCc2cc(C)no2)[C@H](O)C1 1099889514 BEDSLEQERRGZIA-UONOGXRCSA-N 307.350 -0.316 30 20 DBED CCc1nc(C#N)cc(N(C)CCNC(=O)CNC(=O)OC)n1 1099945913 PRVYELWADUNLKF-UHFFFAOYSA-N 320.353 -0.181 30 20 DBED CC(F)(F)CC(=O)N[C@@H]1CCN(CC(=O)NCC#N)C[C@H]1O 1099991312 IPFGJOHDTCURHE-NXEZZACHSA-N 318.324 -0.777 30 20 DBED CN(CCNC(=O)[C@]1(C)CNC(=O)C1)c1cncc(C#N)n1 1100247142 VHIKWOMLEFHTKU-AWEZNQCLSA-N 302.338 -0.573 30 20 DBED CC[C@H](NC(C)=O)C(=O)NCCN(C)c1cnc(C#N)cn1 1100340060 NKONTAPTLKMPKT-LBPRGKRZSA-N 304.354 -0.185 30 20 DBED COCC#CCNC1CC(CNC(=O)[C@@H]2CCCN2C(N)=O)C1 1101068433 ZVPLBUKZCAEFNP-RUXDESIVSA-N 322.409 -0.336 30 20 DBED C=CCOCC(=O)N1C[C@H]2CN(Cc3nc(O)n[nH]3)C[C@@]2(C)C1 1101175498 QOQDSOWTHMRAEM-ABAIWWIYSA-N 321.381 -0.007 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)CNC(C)=O)c3nccn32)C1 1101604492 WHMFZZOZXPHJCB-CYBMUJFWSA-N 315.377 -0.386 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCO2)C1 1102651865 BUTVHEQVIRQBQH-KFWWJZLASA-N 321.421 -0.011 30 20 DBED C=CCN1C[C@@H](C)[C@H](CCNC(=O)C[C@H](NC(C)=O)C(N)=O)C1 1103501157 CKVXUTJHWVMHAU-BNOWGMLFSA-N 324.425 -0.373 30 20 DBED CC(C)C(=O)N1CC(n2cc(CNCC(=O)NCC#N)nn2)C1 1105159433 NAYJSVNWTGPOJX-UHFFFAOYSA-N 319.369 -0.953 30 20 DBED C=C(C)CNCc1cn(C2CN(C(=O)COCCOC)C2)nn1 1105197276 MWTAHBKLXFAWOX-UHFFFAOYSA-N 323.397 -0.010 30 20 DBED CN(CCN(C)c1ccc(C#N)nn1)C(=O)CN1CCOCC1 1105371584 DUAGECUJZWOMAX-UHFFFAOYSA-N 318.381 -0.425 30 20 DBED Cc1nc[nH]c1C(=O)NC[C@@H](O)CNc1ccc(C#N)nn1 1105888612 VFKJTWDQKVPREF-JTQLQIEISA-N 301.310 -0.417 30 20 DBED Cc1c[nH]nc1C(=O)N1C[C@@H](C)[C@H](CNCC(=O)NCC#N)C1 1106100949 BPVRFBBHCAJZEO-VXGBXAGGSA-N 318.381 -0.344 30 20 DBED CCNC(=O)CC(=O)N[C@H](C)CCN=c1cc[nH]c(C#N)n1 1106286813 ACVVYDNKEFDTEH-SNVBAGLBSA-N 304.354 -0.397 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)[C@H](C)NC(N)=O 1106736096 OFTYFSORGWPDPZ-VIFPVBQESA-N 305.342 -0.913 30 20 DBED C#CCNC[C@@H]1CN(C(=O)[C@@H]2COCCN2C(C)=O)C[C@H]1C 1107002717 NDZVOOYZEKRUKG-YUELXQCFSA-N 307.394 -0.449 30 20 DBED CC(=O)N[C@@H](C)C(=O)NC/C=C\CN=c1cc[nH]cc1C#N 1107020638 GVLRFHRZARZVRF-BYCRGOAPSA-N 301.350 -0.016 30 20 DBED CCCC(=O)NCC(=O)NC/C=C/CN=c1cc[nH]c(C#N)n1 1107106216 WZFZEKKONLEOBA-ONEGZZNKSA-N 316.365 -0.229 30 20 DBED C=CCCC(=O)NCc1cn(C2CN([C@@H](CC)C(N)=O)C2)nn1 1107142626 MSCGWSGYVKZHRQ-ZDUSSCGKSA-N 320.397 -0.019 30 20 DBED CC[C@@H](NC(C)=O)C(=O)NCc1cn(C2CN(CC#N)C2)nn1 1107214604 ZPVSSUAYAFEASL-CYBMUJFWSA-N 319.369 -0.811 30 20 DBED N#Cc1nccnc1NC/C=C/CNC(=O)C(=O)NCC1CC1 1107309695 LEGAMLVYFJXXQF-OWOJBTEDSA-N 314.349 -0.041 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@]1(C)CN(CC#N)CCO1 1108002021 TVOKLVOLVBIMBC-GOEBONIOSA-N 304.394 -0.185 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)[C@@]2(CC)CCNC2=O)C1 1108008163 MGJLPYGGWWAINA-CVEARBPZSA-N 307.394 -0.257 30 20 DBED Cn1cc(C(=O)NC[C@@]2(C)CN(CC#N)CCO2)ncc1=O 1108083378 CMAJCISQIGCQNH-AWEZNQCLSA-N 305.338 -0.875 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)[C@@H](CCC)NC(N)=O)C1 1108367288 BUQCFYVXZWNUIV-DOMZBBRYSA-N 310.398 -0.336 30 20 DBED C[C@@H](CN(C)c1cncc(C#N)n1)NC(=O)CNC(=O)C1CC1 1108833287 FSJVBVNRUIRMMA-JTQLQIEISA-N 316.365 -0.185 30 20 DBED C[C@@H](CN(C)c1ccnc(C#N)n1)NC(=O)C[C@H]1CCC(=O)N1 1109006780 LEWDSTXPUKUJMF-WDEREUQCSA-N 316.365 -0.042 30 20 DBED C[C@H](CN(C)c1ccc(C#N)cn1)NC(=O)[C@@H]1CN(C)C(=O)N1 1109193857 KTGJQCVTTYHYNZ-PWSUYJOCSA-N 316.365 -0.082 30 20 DBED COC[C@H](OC)C(=O)N[C@H](C)CN(C)c1cncc(C#N)n1 1109220257 VQZGINHTBOAAKK-PWSUYJOCSA-N 307.354 -0.049 30 20 DBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cnsn1 1110321956 RFHYGULRFJFPKB-KKZNHRDASA-N 320.378 -0.487 30 20 DBED C[C@@H](C(=O)NCC1(N=c2cc[nH]cc2C#N)CC1)S(C)(=O)=O 1110390778 CWUCOXLFMLSFQD-JTQLQIEISA-N 322.390 -0.131 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H](OC)C1CC1 1110518579 RSDZSJQHYNOSQO-HGTKMLMNSA-N 319.405 -0.118 30 20 DBED COCCCC(=O)NC[C@]1(O)CCN(c2cncc(C#N)n2)C1 1111052083 IQHUMFWSNYPFOM-OAHLLOKOSA-N 319.365 -0.168 30 20 DBED N#Cc1ccc(NCC2CC(NC(=O)CNC(N)=O)C2)nc1 1112817027 PXJAPJCQTUCJLG-UHFFFAOYSA-N 302.338 -0.072 30 20 DBED C[C@H](NC(=O)Cn1cnnn1)[C@@H](C)Nc1ccc(C#N)nn1 1112905844 SJEJGQDLAJAEQW-BDAKNGLRSA-N 301.314 -0.660 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)CN2CCC[C@@H]2C)CC1 1113346407 YXBUYDRZWUGCJJ-LSDHHAIUSA-N 320.437 -0.247 30 20 DBED C=CCCCN1CCN(C(=O)CS(=O)(=O)N(C)C)CC1 1113593571 JJNMEGBVJNQFGB-UHFFFAOYSA-N 303.428 -0.012 30 20 DBED COCC#CCN1CCN(C(=O)[C@@H]2CCc3nncn3C2)CC1 1113673281 JTDOYYKKCCHNLU-CQSZACIVSA-N 317.393 -0.366 30 20 DBED C=CCCOCC(=O)N1CCN(CCN2C(=O)CNC2=O)CC1 1113710078 FQWUZDXQOJKPMT-UHFFFAOYSA-N 324.381 -0.725 30 20 DBED C=CCNC(=O)NC(=O)CN1C[C@@H]2C(NC(=O)C3CC3)[C@H]2C1 1113754567 GENPYIWSTIJMNU-QWRGUYRKSA-N 306.366 -0.545 30 20 DBED Cc1noc(C)c1C(=O)NC1[C@H]2CN(CC(=O)NCC#N)C[C@H]12 1113840461 ZZHBTMNNSYWFBB-QWRGUYRKSA-N 317.349 -0.409 30 20 DBED CCCC(=O)NCC(=O)NC1[C@H]2CN(CC#CCOC)C[C@H]12 1113967812 BPCZEXBJBQFTTA-STQMWFEESA-N 307.394 -0.401 30 20 DBED O=C(C#CC1CC1)NC1[C@H]2CN(Cc3nnnn3C3CC3)C[C@H]12 1114253728 UDUKHGBTJAMLJV-STQMWFEESA-N 312.377 -0.032 30 20 DBED C#CCCN1C[C@H]2C(NC(=O)[C@@H](C)NS(=O)(=O)CC)[C@@H]2C1 1114310823 CHJKEFIYYQAUTF-IJLUTSLNSA-N 313.423 -0.616 30 20 DBED C=CCOCCN1C[C@H]2[C@H](NC(=O)[C@H]3CCC(=O)NC3)[C@H]2C1 1114502688 ZHKQZAJKJVYTDO-RMRHIDDWSA-N 307.394 -0.238 30 20 DBED C=C[C@H](CC)CC(=O)NC1[C@H]2CN(CC(=O)NC(N)=O)C[C@H]12 1114725945 DTUWWYAPJYGQLH-VWYCJHECSA-N 308.382 -0.170 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3nocc3C)[C@H]2C1 1115073576 BWBOXRCUQDJVIV-YABSGUDNSA-N 304.350 -0.055 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@H]1[C@@H]2CN(CCN3CCNC3=O)C[C@@H]21 1115332348 NDZLHZNHEZTGPZ-IGQOVBAYSA-N 322.409 -0.351 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)[C@H](CC(C)C)C(N)=O)[C@H]2C1 1115360567 JPLNQYRYXOFKFV-KBXIAJHMSA-N 321.421 -0.170 30 20 DBED N#CCNC1(CNC(=O)C[C@@H]2NC(=O)NC2=O)CCCCC1 1115576445 RWQRNXSOZQGOJF-JTQLQIEISA-N 307.354 -0.483 30 20 DBED C=C(CC)CNC(=O)C(=O)N[C@H](CC)C(=O)N1CCOCC1 1118017436 DUGZZJSHBDVZFN-GFCCVEGCSA-N 311.382 -0.178 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)NC2CCN(C3CC3)CC2)C1 1118208088 ZMSYCUCRABUQPZ-INIZCTEOSA-N 320.393 -0.394 30 20 DBED Cc1cc(C#N)nc(N[C@H](CO)CNC(=O)C[C@H]2CCOC2)n1 1121398831 JLOKXQVEOLSZCH-YPMHNXCESA-N 319.365 -0.028 30 20 DBED Cc1cc(C#N)nc(N[C@H](CO)CNC(=O)[C@@H]2CCN(C)C2)n1 1121591832 WPMMFBOHNBIYJP-YPMHNXCESA-N 318.381 -0.503 30 20 DBED Cn1cncc1CC(=O)NC[C@@H](CO)N=c1cc[nH]cc1C#N 1121798928 BEHVNAFSTGYFIF-LBPRGKRZSA-N 314.349 -0.760 30 20 DBED N#Cc1cccnc1N[C@@H](CO)CNC(=O)C1(C(N)=O)CC1 1122453233 ZAWSGBGQJCPCPE-SNVBAGLBSA-N 303.322 -0.892 30 20 DBED COC[C@@H](OC)C(=O)NC[C@@H](CO)Nc1nc(C)ccc1C#N 1122466531 PGNCKZFNCAOBHP-QWHCGFSZSA-N 322.365 -0.188 30 20 DBED Cc1cc(=N[C@H]2C[C@H](C)N(C(=O)CNC(N)=O)C2)c(C#N)c[nH]1 1123147828 SYRUIMMILPUBIW-JQWIXIFHSA-N 316.365 -0.247 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)c1cc(C)no1 1123423643 NZFBIIBAKKLLRP-UHFFFAOYSA-N 309.326 -0.686 30 20 DBED C[C@@H]1[C@@H](NC(=O)CC(N)=O)CCCN1c1cncc(C#N)n1 1123522697 MBKBNJJVXCMKIH-KOLCDFICSA-N 302.338 -0.303 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]cc1C#N)C(=O)c1cnccn1 1124044978 CJFFKTDQIVEJER-GFCCVEGCSA-N 312.333 -0.290 30 20 DBED Cc1ncoc1C(=O)N(C)C[C@H](O)CN=c1cc[nH]c(C#N)n1 1124224980 IJKMNIMPCIGMAE-SNVBAGLBSA-N 316.321 -0.388 30 20 DBED CN(C[C@@H](O)CNc1ccc(C#N)nc1)C(=O)Cc1nc[nH]n1 1124499114 RKFMUEVKARIAMW-LBPRGKRZSA-N 315.337 -0.455 30 20 DBED O=C(C#CC1CC1)NCCNC[C@@H](O)COC[C@H]1CCCO1 1126886446 SJZSHRGAQKGQQL-HUUCEWRRSA-N 310.394 -0.338 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)CCCNC(=O)C1CC1 1128701905 QJQHIIQALXSYFD-LBPRGKRZSA-N 322.409 -0.864 30 20 DBED C#CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)C[C@](C)(O)C=C)C1 1128961760 IQVXAFLMXRGQNO-IJEWVQPXSA-N 317.393 -0.030 30 20 DBED CC#CCN1C[C@H]2C[C@H]3CN(C(=O)[C@@H](COC)OC)C[C@@]3(C1)O2 1131265159 YQBLBWZJCDZRBL-KLZNWCGWSA-N 322.405 -0.027 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1cnc2nccn2c1 1131342943 QLNYGVVVGZUSFU-LLVKDONJSA-N 314.349 -0.813 30 20 DBED C=CCO[C@H](C)C(=O)N1CCC(=O)NCCN(CCO)CC1 1131396774 CFHYEVRRXKGBRE-CYBMUJFWSA-N 313.398 -0.780 30 20 DBED C#CCNC[C@@H]1CN(C(=O)CCCS(N)(=O)=O)CC[C@H]1C 1133087621 RHFWJOKHUCKUAL-CHWSQXEVSA-N 315.439 -0.238 30 20 DBED C#CCN[C@H](C)C[C@H](C)NC(=O)CS(=O)(=O)CCOC 1134749827 ZRJDGQQNBPSMIJ-NEPJUHHUSA-N 304.412 -0.446 30 20 DBED C[C@H](C[C@@H](C)NC(=O)c1ccnnc1)NCC(=O)NCC#N 1135541008 XMFUFAJHRBHMOG-GHMZBOCLSA-N 304.354 -0.397 30 20 DBED COCC#CCN1CCCO[C@@H](CNC(=O)c2cncnc2)C1 1149573376 JVYQXRDHHBUHTQ-HNNXBMFYSA-N 318.377 -0.053 30 20 DBED C#CCNC(=O)CC(=O)NCCCN[C@@H](C)C(=O)NC(C)(C)C 1156857585 WNUBLLHRWWRZCA-LBPRGKRZSA-N 324.425 -0.475 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)c2cnn(C)c2N)C1=O 1156943497 NYUXXGJRARMJSX-GFCCVEGCSA-N 320.397 -0.501 30 20 DBED CC(C)C#CC(=O)NCCCNCC(=O)NC[C@H]1CCOC1 1157644482 WYIHZKKULJDTQE-CQSZACIVSA-N 309.410 -0.106 30 20 DBED C#CCNC(=O)CC(=O)NCCC1=CCN([C@@H](C)C(N)=O)CC1 1159891364 MIOAAUXYXYRVDY-LBPRGKRZSA-N 320.393 -0.862 30 20 DBED COc1ccc(CC(=O)NCCCNCC(=O)NCC#N)nc1 1164550294 GQBANZKTNFZRPS-UHFFFAOYSA-N 319.365 -0.632 30 20 DBED Cc1cc(C(=O)NCCCNCC(=O)NCC#N)nc(C)n1 1168303679 OKRPICJHWZJOTI-UHFFFAOYSA-N 304.354 -0.557 30 20 DBED C#CCNC(=O)CNCCCNC(=O)C[C@@H](C)N1CCCC1=O 1171003831 XWJNFPNSYPGJHJ-CYBMUJFWSA-N 322.409 -0.767 30 20 DBED COCC#CCN1CCO[C@@H]2CCN(C(=O)CCN(C)C)C[C@H]21 1177081557 QXMIIOWAPIIBOR-HZPDHXFCSA-N 323.437 -0.110 30 20 DBED COC[C@H](O)CN[C@H]1CCN(C(=O)CSCC#N)[C@H]1C 1178147636 HBBQMDQRHVPTPF-TUAOUCFPSA-N 301.412 -0.171 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)CNC(=O)C2CC2)C1 1181177757 OBLSGJCKJCBWPF-GFCCVEGCSA-N 308.382 -0.995 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2n[nH]c(C)c2C)C1 1181760120 GQJSCLKUESMPDS-QWHCGFSZSA-N 317.393 -0.031 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@@H](NCCS(C)(=O)=O)C2)cn1 1187214363 ZKFWWOPHNCLWOJ-CQSZACIVSA-N 321.402 -0.088 30 20 DBED C=CCOCCN1C[C@@H]2CCN(C(=O)Cn3cnnc3O)[C@@H]2C1 1187577063 RVLXDUNGOCIYJN-QWHCGFSZSA-N 321.381 -0.281 30 20 DBED CCn1ncc(C(=O)N2CC[C@@H](N(C)CC(=O)NCC#N)C2)n1 1189983392 KPMRWKVJHYKSNU-LLVKDONJSA-N 319.369 -0.916 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2cncnc2O)C1 1190837902 VXHAUNRYXWDWLI-NSHDSACASA-N 317.349 -0.922 30 20 DBED C#CCN(C)[C@@H]1CCN(C(=O)CN(C)S(=O)(=O)CC)C1 1193204219 CPCMKYOPBXOETN-GFCCVEGCSA-N 301.412 -0.566 30 20 DBED Cc1nonc1C(=O)N1CC[C@@H](N(C)CC(=O)NCC#N)C1 1194471777 ORHYNISSXHXNOH-SNVBAGLBSA-N 306.326 -0.836 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)c2[nH]nnc2C)CC1 1196710459 HQMSOZAJZQDXIX-UHFFFAOYSA-N 306.370 -0.437 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)CNC(=O)c2ccc(F)cc2)C1 1198359796 YUUDVLOOYGVSLE-CHWSQXEVSA-N 320.324 -0.760 30 20 DBED C[C@@H](C#N)C(=O)N1CCCO[C@@H](CNCC(=O)NCC2CC2)C1 1200115865 PACKZMGMROTJEY-JSGCOSHPSA-N 322.409 -0.121 30 20 DBED N#CCNC(=O)CNC[C@H]1CN(C(=O)C#CC2CC2)CCCO1 1200452990 PXNIXWZLSUOLKK-AWEZNQCLSA-N 318.377 -0.753 30 20 DBED N#CCNC[C@H]1CN(C(=O)C(=O)NCC(F)F)CCCO1 1200874247 RAOMCVGZLWXSLY-VIFPVBQESA-N 304.297 -0.902 30 20 DBED NC(=O)C(=O)N1CCCO[C@@H](CNCC#Cc2ccccc2)C1 1201301436 ASEHVWGCULMPBK-HNNXBMFYSA-N 315.373 -0.270 30 20 DBED C=CCCNC1CCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)CC1 1202771381 DEYNKHLGZKGOCB-UHFFFAOYSA-N 322.365 -0.436 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2cc(C)ncn2)[C@H](C)C1 1206875275 DUPMLBVXOBNUNX-BXUZGUMPSA-N 315.377 -0.415 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@]2(F)CCOC2)C1 1209243036 SUXHGHSOLUKHES-DOMZBBRYSA-N 311.357 -0.555 30 20 DBED C#CCN1C[C@@H](NC(=O)COC[C@@H](C)N2CCCC2)[C@H](OC)C1 1213455698 JQZXHWKNMYCCEU-BZUAXINKSA-N 323.437 -0.064 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)[C@H]2CC23CC3)[C@H](OC)C1 1213487470 DORXUHNSWSPOTR-JHJVBQTASA-N 305.378 -0.649 30 20 DBED C#CCCN[C@@H]1CN(C(=O)[C@@H](CCC(N)=O)NC(C)=O)C[C@H]1C 1215944334 HKIWUNUCGNIKDC-MRVWCRGKSA-N 322.409 -0.784 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cocn1 1217523427 XXOMEROBIBVVMZ-QWHCGFSZSA-N 320.349 -0.498 30 20 DBED C=CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CCS(C)(=O)=O 1218181164 STVHZMKPAAFYLU-NWDGAFQWSA-N 302.396 -0.481 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2cc(OC)no2)C[C@@H]1O 1219609535 WPEWONKCRHVWNF-OLZOCXBDSA-N 323.349 -0.616 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2ccc(CC)o2)C1 1219884658 PHKXSRUDJQYOTO-OLZOCXBDSA-N 319.361 -0.634 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)[C@@]2(F)CCOC2)C1 1220212966 CWAGFASFEZVRKZ-MBNYWOFBSA-N 302.346 -0.521 30 20 DBED C[C@H](OCC(=O)N[C@@H]1CN(CC#N)C[C@@H]1O)c1nccn1C 1220871832 ZPJVEZYPWVZSHT-TUAOUCFPSA-N 307.354 -0.817 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)[C@@H]2CCCN2C)CC1 1226608886 YOBAUKWJNBBZDQ-AWEZNQCLSA-N 308.426 -0.037 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)c2cn(C)c(O)n2)CC1 1228992445 SLJDUTHGPZECOC-UHFFFAOYSA-N 321.381 -0.378 30 20 DBED C[C@]1(C(=O)NC2CCN(CC(=O)NCC#N)CC2)CCOC1 1229731360 BEFCVOSSLQTPJW-HNNXBMFYSA-N 308.382 -0.367 30 20 DBED N#CCN1CCS(=O)(=O)[C@H](CCNC(=O)C#CC2CC2)C1 1230461792 GLQLVTLDSIQXNQ-CYBMUJFWSA-N 309.391 -0.471 30 20 DBED C#CCCN1CC[C@H]1CN(C)C(=O)[C@H](C)NS(=O)(=O)CC 1234444920 HXJOLMWDAHFSDV-STQMWFEESA-N 315.439 -0.130 30 20 DBED COCC#CCN1CC[C@@H]1CN(C)C(=O)C1CS(=O)(=O)C1 1234499068 HPCZJOWYAIVMLC-CYBMUJFWSA-N 314.407 -0.787 30 20 DBED CC#CCNC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 1253793996 IDYLOYIZWKXCSM-JTQLQIEISA-N 311.363 -0.709 30 20 DBED CC#CCCNC(=O)C(=O)N[C@@H]1CCc2nc(COC)nn2C1 1261158367 RQHMZQHGXRZQNH-LLVKDONJSA-N 319.365 -0.615 30 20 DBED C#CCOCCC(=O)NS(=O)(=O)c1cnc2c(cnn2C)c1 1320566918 RSYVVWRQPNOWJI-UHFFFAOYSA-N 322.346 -0.187 30 20 DBED C#C[C@H](CCC)NC(=O)C(=O)Nc1cnn(CC(=O)NC)c1 1320726543 KJGWZVXXZYYPIV-SNVBAGLBSA-N 305.338 -0.514 30 20 DBED CNC(=O)CNC(=S)NN=Cc1cnc([C@@H](C)O)s1 1322091629 DJZFTKOTYAPNRD-ZCFIWIBFSA-N 301.397 -0.260 30 20 DBED C=CCN1CCC(NC(=O)C(=O)NOC2CCOCC2)CC1 1322608516 TYDQFCVLVFNHTL-UHFFFAOYSA-N 311.382 -0.020 30 20 DBED Cc1nc2ccc(NC(=O)C(=O)NCC(=O)NCC#N)cc2o1 1323054960 QCCAVDGDNYIXMM-UHFFFAOYSA-N 315.289 -0.169 30 20 DBED CC#CCCNC(=O)C(=O)NCCCCN1CCN(C)CC1 1323144724 BTJIMJRGDXIPTR-UHFFFAOYSA-N 308.426 -0.340 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)NC[C@]1(C)CCOC1 1323699572 JQTXJAGKMRMECY-ZDUSSCGKSA-N 318.395 -0.754 30 20 DBED C[C@H](NC(=O)C(=O)NCC1(CC#N)CC1)[C@@H]1CN(C)CCO1 1323863356 LVIJOEWHLVPRLZ-RYUDHWBXSA-N 308.382 -0.368 30 20 DBED C#C[C@@H](NC(=O)C(=O)Nc1cccn(C)c1=O)[C@@H]1CCCO1 1325764124 YMDDMQGQEOCGPY-PWSUYJOCSA-N 303.318 -0.379 30 20 DBED N#Cc1ccc(NC(=O)C(=O)N2CCN3C(=O)NC[C@@H]3C2)nc1 1327825830 GUDCEKPSRAHTBE-SNVBAGLBSA-N 314.305 -0.872 30 20 DBED N#C[C@H](C(=O)[C@@H]1CC1(F)F)C(=O)N1CCS(=O)(=O)CC1 1347038676 JTUQPDIXTNTRJV-SFYZADRCSA-N 306.290 -0.393 30 20 DBED Cc1cc(NC(=O)C(=O)N2C[C@@H]3[C@@H](CO)[C@@H]3C2)ncc1C#N 1349785528 IGAQVJXOSQWTSP-GDNZZTSVSA-N 300.318 -0.103 30 20 DBED Cn1cc(CCC(=O)NCCn2cc(C#N)c(O)nc2=O)cn1 1363288349 QAGISTCNTCREEV-UHFFFAOYSA-N 316.321 -0.697 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N[C@@H](C(N)=O)c1ccccn1 1363920581 PPCBMLAWCZNCBL-GXSJLCMTSA-N 311.367 -0.466 30 20 DBED Cc1cc(NC(=O)NC[C@@H](O)Cn2ccnn2)nn1CCC#N 1364324974 PXQCBWZRUKIEMJ-LLVKDONJSA-N 318.341 -0.121 30 20 DBED Cc1cc(NC(=O)CN2CC(CNC(=O)[C@@H](C)C#N)C2)n(C)n1 1366960765 GXEFFBUACLQJNS-JTQLQIEISA-N 318.381 -0.125 30 20 DBED CNC(=O)NCC(=O)N(C)[C@H](CNC(=O)[C@@H](C)C#N)C1CC1 1381753791 YVSUMIIKGTYPBW-GXSJLCMTSA-N 309.370 -0.572 30 20 DBED C[C@@H](C#N)C(=O)N(C)C[C@@H]1CCN(C(=O)c2cnnn2C)C1 1387615127 SBYXZPHPUGCQMY-QWRGUYRKSA-N 304.354 -0.105 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1cc(CN(C)C)on1 1389117278 VYNZKSORBVEEIO-ZJUUUORDSA-N 323.353 -0.897 30 20 DBED C[C@@H](C#N)C(=O)NCC(C)(C)CN(C)C(=O)[C@@H]1COC(=O)N1 1395012896 IJNIVTPDVBDBTE-UWVGGRQHSA-N 310.354 -0.145 30 20 DBED COCC(=O)NCCC(=O)N(C)C[C@@H]1CCN1C(=O)[C@H](C)C#N 1396479253 PQUOWIAJFDRPDO-NEPJUHHUSA-N 324.381 -0.642 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNCc1nnc2n1CCCCC2 1401494464 KGLORAKNMSEEHZ-NWDGAFQWSA-N 320.397 -0.269 30 20 DBED CCN(C(=O)[C@@H](C)C#N)[C@H](C)CNC(=O)c1cc(=O)n(C)cn1 1406083329 KAAIGSFROJEGOT-WDEREUQCSA-N 319.365 -0.093 30 20 DBED COC(=O)[C@H]1CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)[C@H]1C 1412843663 LGGSOULHIZTCNI-WPRPVWTQSA-N 320.305 -0.769 30 20 DBED COC(=O)c1c[nH]nc1S(=O)(=O)NCc1ccnc(C#N)c1 1413474417 OZNQQASNJZBYNN-UHFFFAOYSA-N 321.318 -0.059 30 20 DBED CCN1CCOC[C@@H]1C(=O)N(CCNC(=O)[C@H](C)C#N)C1CC1 1415883573 RDWDTUQJUVPSSD-TZMCWYRMSA-N 322.409 -0.026 30 20 DBED C[C@H](C#N)C(=O)NC1CN(C(=O)[C@H]2CCCc3nn[nH]c32)C1 1416047202 PTGAZZLDUGONOT-SCZZXKLOSA-N 302.338 -0.289 30 20 DBED C[C@H](NC(=O)NCCn1cc(C#N)c(O)nc1=O)[C@H]1CCOC1 1427413942 SXCLSIJVFPXAGD-UWVGGRQHSA-N 321.337 -0.455 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)CCc2cnccn2)C1 1428817904 UDQQMHGSIAHHSZ-RAIGVLPGSA-N 317.349 -0.743 30 20 DBED C[C@@H](C#N)C(=O)NC1CCN(C(=O)CN2CCCC2=O)CC1 1429649992 GNIALUMXJPUYEK-NSHDSACASA-N 306.366 -0.124 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1cc(Cl)n(C)n1 1431563784 KQSZFSICZSUDCY-SFYZADRCSA-N 313.745 -0.560 30 20 DBED CC[C@]1(C)CN(C(=O)Cn2cc(C#N)c(O)nc2=O)CCO1 1433920108 FJZKLXBLKOXRQU-CQSZACIVSA-N 306.322 -0.152 30 20 DBED C[C@H]1C[C@@H](C(=O)NCCn2cc(C#N)c(O)nc2=O)CCC1=O 1434205690 BWGHFUPAPMGANX-UWVGGRQHSA-N 318.333 -0.058 30 20 DBED N#Cc1cc(=O)n(CC(=O)NC(=O)NCc2ccco2)cn1 1434454441 RKPLVGLYRYIOBF-UHFFFAOYSA-N 301.262 -0.266 30 20 DBED Cc1cc(C#N)nc(N(C)CCNC(=O)c2cnn(C)n2)n1 1436003400 GHIDQJBGXYSFGJ-UHFFFAOYSA-N 300.326 -0.349 30 20 DBED CNC(=O)Cc1noc(CNC[C@@H](C)CNC(=O)[C@@H](C)C#N)n1 1495633275 NNAACINJDPHNBC-ZJUUUORDSA-N 322.369 -0.640 30 20 DBED COCCN(CCNC(=O)c1cn(C)nn1)C(=O)[C@H](C)C#N 1511853113 INEQLGFZRVNLAJ-SNVBAGLBSA-N 308.342 -0.820 30 20 DBED C#CCNC(=O)CNC1CC(N(C)C(=O)[C@H](C(C)C)N(C)C)C1 1571664468 JBXFIDRIXOGTGC-XUJLQICISA-N 322.453 -0.099 30 20 DBED C=CCN1CC[C@H](N[C@H](C)CN(C)C(=O)CNC(=O)O)C1=O 1573369322 YCYFHCSHUKKBCZ-MNOVXSKESA-N 312.370 -0.523 30 20 DBED N#Cc1cn(CCC(=O)NC2(CC(=O)O)CCC2)c(=O)nc1O 1574493119 KABQGQMGEBYDEC-UHFFFAOYSA-N 320.305 -0.276 30 20 DBED CC[C@@]1(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)CCNC1 1577195174 AIDBAXNQMYWZEL-OAHLLOKOSA-N 317.349 -0.406 30 20 DBED CN(C)CC#CCNC(=O)NC[C@H]1CC2(CCNCC2)C(=O)O1 1578412891 BYYWJNONYOEIRS-CYBMUJFWSA-N 322.409 -0.464 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)N[C@H]2COC3(CNC3)C2)cc1 1580065029 ZXGSRVNXPQZJSX-CYBMUJFWSA-N 314.345 -0.465 30 20 DBED N#Cc1ncc(N2CCC(c3nn[nH]n3)CC2)nc1-c1nn[nH]n1 1581882359 VKQIBHQVSCCJBD-UHFFFAOYSA-N 324.312 -0.575 30 20 DBED N#Cc1ncn(CC(=O)NCc2ccc(-c3nn[nH]n3)s2)n1 1581885650 JHNWFSJUXQQTKP-UHFFFAOYSA-N 315.322 -0.292 30 20 DBED C=CCOCCCn1nnnc1N1CC[C@](OC)(C(=O)O)C1 1588869032 MMESCEYUXKHYJY-CYBMUJFWSA-N 311.342 -0.054 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC(NC(=O)[C@@H]3C[C@H]3C(=O)O)C2)c1 1601084143 JZPZINRWSKDCTM-NXEZZACHSA-N 302.290 -0.452 30 20 DBED N#Cc1cc(Br)cn(CC(=O)NCC(=O)O)c1=O 1601084339 BVAOSFGZXSJJEC-UHFFFAOYSA-N 314.095 -0.317 30 20 DBED N#Cc1cc(F)ccc1CS(=O)(=O)NC[C@@H](O)CC(=O)O 1601088675 CEWGAUKQMONALH-NSHDSACASA-N 316.310 -0.048 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1CCN(C)C[C@H](C(=O)O)C1 1602901965 IKVNGVHRMLUQIJ-QWRGUYRKSA-N 312.370 -0.665 30 20 DBED C[C@H](C(=O)N[C@H](C[C@H]1CCCO1)C(=O)O)n1cnc(C#N)n1 1603156329 SXJAMZDBGVUXJW-OPRDCNLKSA-N 307.310 -0.151 30 20 DBED N#Cc1cn(CC(=O)O)c(=O)n(CCCCCCCO)c1=O 1605622994 NRNCIEZFPHHCAN-UHFFFAOYSA-N 309.322 -0.091 30 20 DBED Cc1onc(CC(=O)N2CCO[C@](C)(C#N)C2)c1-c1nn[nH]n1 1606179884 MHLIIXUFSVQMBM-CYBMUJFWSA-N 317.309 -0.153 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H](C)CCNC(=O)Cn1ccnc1C 1690880065 ZSGQQXVIVYJYMX-QWHCGFSZSA-N 319.409 -0.186 30 20 DBED C#CCN[C@@H](CNC(=O)[C@@H]1CCc2nnnn2CC1)C1CC1 1752484231 GQFAUJBCLCAPML-OLZOCXBDSA-N 302.382 -0.257 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1C[C@H](NC(=O)[C@@H](C)NC(=O)CC)C1 1752632505 HPNCDMDTZFCOLG-FDYHWXHSSA-N 322.409 -0.724 30 20 DBED N#CCNC[C@H]1CCCN(C(=O)CCc2nnc(O)nc2O)C1 1752801491 NCZQJEGAEWESQC-SNVBAGLBSA-N 320.353 -0.433 30 20 DBED C=CCn1cc(C(=O)NCC[C@H](C)N[C@H]2CCCNC2=O)nn1 1753015637 RKQOECBLHXSONU-RYUDHWBXSA-N 320.397 -0.159 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H]1CN(Cc2nccn2C)CCO1 1753648376 FMGSZIMRCHTRMV-UONOGXRCSA-N 320.393 -0.225 30 20 DBED C#CCCN1CCO[C@@H](CNC(=O)[C@@H](OC)c2cnn(C)c2)C1 1753651723 SOSYLEPWYZFHAJ-GJZGRUSLSA-N 320.393 -0.052 30 20 DBED C#CCNC(=O)CNCC[C@@H](C)NC(=O)[C@@H]1CCNC(=O)CC1 1753996354 GNPBLJPTNOSDHT-OLZOCXBDSA-N 322.409 -0.864 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@@H](C)NC(=O)C1(CN(C)C)CC1 1754239379 VBOVYQKQKHRXCA-OLZOCXBDSA-N 308.426 -0.440 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@@H](NC(=O)c1ncc[nH]1)C1CC1 1754440758 ZVCHSYVDABDOHZ-CMPLNLGQSA-N 303.366 -0.354 30 20 DBED C#CCNC(=O)CNC1(CNC(=O)c2cnn(C)c2CC)CC1 1754518640 CSRGOEKNITXSDS-UHFFFAOYSA-N 317.393 -0.416 30 20 DBED C#CCCN1CC[C@@](O)(CNC(=O)C(C)(C)CNC(C)=O)C1 1754759094 KAGDSJBDXLBPHK-MRXNPFEDSA-N 309.410 -0.275 30 20 DBED C=C[C@@](C)(CCOC)C(=O)NCC1(O)CN([C@H](C)C(N)=O)C1 1754771008 IXIOCTXHGLLWJE-RISCZKNCSA-N 313.398 -0.748 30 20 DBED CCC[C@@H](C(=O)N[C@@H]1CCCN(CC#N)CC1)S(N)(=O)=O 1755026454 QABGKLZMOCXFKJ-NEPJUHHUSA-N 316.427 -0.062 30 20 DBED Cn1cnn(CC(=O)NC[C@@H]2CCCCCN2CC#N)c1=O 1755365567 GWYFRPUGMZZDDP-LBPRGKRZSA-N 306.370 -0.534 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](CNC(=O)COC(C)C)[C@H]2C1 1755418828 ZLHJZOORDMNBFA-ZSOGYDGISA-N 307.394 -0.545 30 20 DBED C#CCNC(=O)CN[C@H](C)CN(C)C(=O)c1c(C)nn(C)c1C 1755599041 QJFLORWECCGSPE-LLVKDONJSA-N 319.409 -0.164 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)c2ccn(C)n2)[C@H]1C 1755666604 GLRPEVCWUGNIHM-NWDGAFQWSA-N 305.382 -0.085 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C[C@@H](O)CNCc1cnsn1 1755779064 CHTUDBHIQIDBMF-JQWIXIFHSA-N 312.395 -0.515 30 20 DBED C#Cc1cncc(C(=O)N(C)C[C@@H](O)CNCC#CCOC)c1 1755788803 ZXVZTIVXKBWUPL-INIZCTEOSA-N 315.373 -0.265 30 20 DBED C#CCOCCC(=O)N[C@@H](C)[C@H](C)NC(=O)Cn1nccn1 1755969767 KYKXRJKOTGDUMM-RYUDHWBXSA-N 307.354 -0.673 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@H](CO)NC(=O)c1cc(CC)[nH]n1 1756515908 RIDUZOZKGUAADN-ABAIWWIYSA-N 324.381 -0.494 30 20 DBED C#CCOCCC(=O)NC[C@H]1C[C@H]2CC[C@H]1N(C(=O)C(N)=O)C2 1756933884 AZWOVRLGNPTYLN-JHJVBQTASA-N 321.377 -0.745 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)c2ccc(C)n2C)C[C@@H]1O 1757162231 SZTZIUKOIQVMQJ-OCCSQVGLSA-N 321.377 -0.162 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(O)ncn1)CCO2 1783046688 MKPFYWNFKWTTRO-OAHLLOKOSA-N 316.317 -0.741 30 20 DBED COCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CC1 1795408326 WKPJZWBTGHVLCQ-DABQJJPHSA-N 321.377 -0.084 30 20 DBED C[C@@H](CN)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)C#N)C2 1795507844 AEPFZDMXIBRBIW-RVMXOQNASA-N 322.409 -0.279 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)N(C)CC 1800166033 KWCJKOJGDRQXEU-XPCVCDNBSA-N 307.394 -0.451 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C(/C)C(=O)O)C2 1800455967 FBDJTPJBMRQWKA-KSDOGUMDSA-N 306.318 -0.760 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(C)=O)C2)C1 1831391113 HCVCNZGZKASANK-BBRMVZONSA-N 324.377 -0.499 30 20 DBED CC(=O)CCC(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846195098 BCIAKWYHZCUQEE-UHFFFAOYSA-N 306.318 -0.353 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 88595413 WSSBTHUUMDIOJZ-CABCVRRESA-N 320.437 -0.247 30 20 DBED C=CCCS(=O)(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 119403193 PQVFPXMDPLMVQK-GFCCVEGCSA-N 322.452 -0.303 30 20 DBED C#CCOc1cccc(NC(=O)C(=O)N(C)CC(=O)NC)c1 264766968 RCGSQYHTYPZGBI-UHFFFAOYSA-N 303.318 -0.159 30 20 DBED C#CCSCCNC(=O)CNS(=O)(=O)CCCOC 269262275 IIWIAMRMEQFTMT-UHFFFAOYSA-N 308.425 -0.575 30 20 DBED C=CCN1CC[C@H](N(C)Cc2nc(N)nc(N(C)C)n2)C1=O 281292320 JHPMGYXHSDNTSQ-JTQLQIEISA-N 305.386 -0.262 30 20 DBED N#Cc1cncc(S(=O)(=O)NC[C@@H](CO)[C@H]2CCOC2)c1 290129130 LNGUVEIDKPNILS-RYUDHWBXSA-N 311.363 -0.123 30 20 DBED C[C@@H](CO)C/N=C(/O)NCC1CCN(S(C)(=O)=O)CC1 330444239 WNLAOKXXURUZEL-SNVBAGLBSA-N 307.416 -0.210 30 20 DBED C[C@H](C(=O)N(C)CC(=O)N1CCOC[C@H]1C#N)n1cccn1 330925047 GKLIMRYVROTMAW-VXGBXAGGSA-N 305.338 -0.347 30 20 DBED C[C@@H]1CN(/C(O)=N/CCn2cncn2)CCN1CC(C)(C)O 331229076 OUZKBROIBGSFDS-GFCCVEGCSA-N 310.402 -0.031 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N[C@H]2CCN3CCCC[C@H]23)CCO1 336919395 PCPGPPVZFHXGRD-FRRDWIJNSA-N 314.411 -0.328 30 20 DBED COC(=O)[C@@H](CNC(=O)C(=O)Nc1sccc1C#N)OC 342260523 DITIVPQZKRFBRC-MRVPVSSYSA-N 311.319 -0.138 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N(C)[C@H]1CCS(=O)(=O)C1 407956791 WUOVLHZCJQWQEO-QWRGUYRKSA-N 323.440 -0.168 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@H](CC(C)C)C(N)=O)CC1 413075913 SGHAYDFQLXJNNT-CYBMUJFWSA-N 324.425 -0.420 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](COC)C(C)C)C1=O 525579566 ZRIYRTFNKHIOJU-SNVBAGLBSA-N 311.338 -0.250 30 20 DBED O=C1c2ccccc2C(=O)N1CC#CCN1C[C@@H](O)[C@H](CO)C1 528519020 HQJADJIVJXZPSP-SWLSCSKDSA-N 314.341 -0.429 30 20 DBED Cc1ncc(S(N)(=O)=O)cc1C(=O)N1CCN(CC#N)CC1 565186718 AULOSPNGWUZKGT-UHFFFAOYSA-N 323.378 -0.681 30 20 DBED Cc1noc(C)c1S(=O)(=O)NCC(=O)NC[C@H](C)C#N 571335301 MICHHWNEHKJKML-SSDOTTSWSA-N 300.340 -0.154 30 20 DBED C[C@H]1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)C[C@@H]1C(=O)O 572879571 NBAQWLDGKMPANL-WPRPVWTQSA-N 306.322 -0.497 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@@H]1CCS(=O)(=O)[C@@H]1C 599457744 MQYZBOVEIPHTKE-HBNTYKKESA-N 323.440 -0.122 30 20 DBED CC[C@H]1CN(C(=O)C(=O)N2CCN(CCC#N)CC2)CC[C@@H]1N 601582752 NCAMLBIBTIKPDB-KBPBESRZSA-N 321.425 -0.370 30 20 DBED N#CCCN1CCN(C(=O)C(=O)N2[C@H]3CC[C@H]2CNC3)CC1 601586075 ZXSLNLCWRZXJON-STQMWFEESA-N 305.382 -0.993 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@@H]1CNS(N)(=O)=O 615937020 NAOVVTSSEVIOSZ-UTUOFQBUSA-N 317.411 -0.248 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CCC(CO)(OC)CC1 619714416 FZGNPJNVJZKKDP-UHFFFAOYSA-N 305.400 -0.060 30 20 DBED C#Cc1ccc(C(=O)N(C)C[C@H](O)CN2CCOCC2)nc1 751431100 HAWGQEZZWFSEDA-AWEZNQCLSA-N 303.362 -0.172 30 20 DBED C[C@@H](CC#N)OC(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1 756281029 DUCIDAXALJMBKP-DTWKUNHWSA-N 300.340 -0.068 30 20 DBED COC(=O)C1=NOC2(CCN(CC(=O)NCCC#N)CC2)C1 771779220 DWCBJFXLANYYPK-UHFFFAOYSA-N 308.338 -0.200 30 20 DBED C=CCS(=O)(=O)NC(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 772712571 DCIVVDDOXJLTEX-GAIPPQHRSA-N 324.358 -0.575 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N(C)CC(=O)N1CCCC1 783010472 AQLOUEHCWDJIBM-UHFFFAOYSA-N 317.411 -0.149 30 20 DBED C[C@@H](NC(=O)NCCNc1ccc(C#N)cn1)c1nnnn1C 790175268 DRQQKFFCKDXEBB-SECBINFHSA-N 315.341 -0.051 30 20 DBED C#C[C@H](NC(=O)C(=O)NCCOC[C@H]1CCCO1)[C@@H]1CCCO1 803560136 VYGNMIQIAWBAMA-RDBSUJKOSA-N 324.377 -0.405 30 20 DBED CON=CC(=O)N1CCC[C@H](CNS(=O)(=O)C2CC2)C1 811530884 SIYYIGJWBUCSPG-SNVBAGLBSA-N 303.384 -0.061 30 20 DBED NC(=O)COc1ccccc1C(=O)N[C@H]1CCCN(O)C1=O 820482657 PPXDIHNNNVAXNE-JTQLQIEISA-N 307.306 -0.339 30 20 DBED C=CCn1cc(C(=O)NCCN2CCC3(C2)OCCO3)nn1 820505275 LMFXZKSSDWIRDC-UHFFFAOYSA-N 307.354 -0.357 30 20 DBED CN(C)Cc1ccc(C(N)=NOCC(=O)NCC(=O)O)cc1 820543914 VIWKHYVXXWUSHK-UHFFFAOYSA-N 308.338 -0.414 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H]1CCC[C@H]1NS(C)(=O)=O 826860797 MVQQERFUGDFTPP-IJLUTSLNSA-N 302.396 -0.141 30 20 DBED C#CCOc1ccc(NC(=O)C(=O)N2C[C@@H](O)[C@H](OC)C2)cc1 835901325 NXURUZOEJQNUPA-ZIAGYGMSSA-N 318.329 -0.145 30 20 DBED N#C[C@H]1CNC[C@H]1NC(=O)CCOc1cccc(C(N)=O)c1 843461786 NNUOICGRQCOUNZ-WCQYABFASA-N 302.334 -0.218 30 20 DBED Cn1cc(N2C[C@H](C(=O)OCC(=O)NCCC#N)CC2=O)cn1 859899602 YCWDJGKNQHGNDC-SNVBAGLBSA-N 319.321 -0.654 30 20 DBED C#CCN1CCC[C@H](NC(=O)N2CC(S(=O)(=O)CC)C2)C1 890362248 ATDSRQPXABKWST-LBPRGKRZSA-N 313.423 -0.088 30 20 DBED C#CCOc1ccccc1CN1C[C@H](C(N)=O)[C@@H](C(N)=O)C1 895314858 RWCHJAQKMHHKQZ-STQMWFEESA-N 301.346 -0.283 30 20 DBED CN1CCO[C@@H](C(=O)N(C)[C@@H]2CCN(C(=O)C#CC3CC3)C2)C1 937346619 AFJQXUKFTGTHOY-HUUCEWRRSA-N 319.405 -0.210 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)CN2CCCNC2=O)C1 938244823 SBMDOEQYHNEARI-QWRGUYRKSA-N 307.354 -0.722 30 20 DBED O=C(CN1CCCNC1=O)N[C@H]1CCN(C(=O)C#CC2CC2)C1 938245149 YVFKLKVIPVSIER-ZDUSSCGKSA-N 318.377 -0.468 30 20 DBED C=CCn1cc(C(=O)N2CCCC[C@@H](NC(=O)C(N)=O)C2)nn1 943489601 ZLQPXGCGLHISPZ-SNVBAGLBSA-N 320.353 -0.940 30 20 DBED C[C@@H]1CN(C(=O)CC(N)=O)CC[C@@H]1NC(=O)c1c[nH]c(C#N)c1 945228355 ROEIUMJDONJEGI-SKDRFNHKSA-N 317.349 -0.271 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1cc[nH]n1 948901302 SSVJBGYPJMGCJB-OCCSQVGLSA-N 315.377 -0.162 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(CC)C1CN([C@@H](C)C(N)=O)C1 950533501 IJQGWKKGNFCHGY-JSGCOSHPSA-N 306.410 -0.510 30 20 DBED C#Cc1ccc(C(=O)NC2(C)CCN(C(=O)C(N)=O)CC2)nc1 956439089 LSJHSCWHHSWZKD-UHFFFAOYSA-N 314.345 -0.341 30 20 DBED CC#CCN1C[C@H](O)[C@H](CNC(=O)c2coc(C(N)=O)c2)C1 958281314 JQYJGGUIZWGXOF-NEPJUHHUSA-N 305.334 -0.576 30 20 DBED CC#CCN1C[C@H]2[C@H](NC(=O)[C@H]3CC(=O)N(CCOC)C3)[C@H]2C1 960170077 WHGCFTQQVWUKGW-TTZDDIAXSA-N 319.405 -0.449 30 20 DBED CCn1nncc1C(=O)N1C[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2C1 961511854 YEJKZONJOYYLOS-UTUOFQBUSA-N 316.365 -0.012 30 20 DBED C=CCn1cc(C(=O)NC2[C@@H]3CN([C@H]4CCNC4=O)C[C@@H]23)nn1 961993580 LXJPLECKMDFACZ-FOGDFJRCSA-N 316.365 -0.987 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@H](NC(=O)c2ccn(C)n2)C1 963452174 LAZCERNEOOIKBS-NEPJUHHUSA-N 306.366 -0.066 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)c1ccnnc1 964380641 WTOLAGCGVMZDFY-ZYHUDNBSSA-N 303.322 -0.407 30 20 DBED C=CCN1CC[C@H](NC2CC3(CC(NC(=O)C(N)=O)C3)C2)C1=O 964777662 RWBATMHODMVPOH-VDOARHDCSA-N 320.393 -0.724 30 20 DBED C[C@H](C#N)C(=O)N1CC2(C[C@@H](NC(=O)Cn3ccnc3)CO2)C1 965728967 QOFPCZWOJGADBB-VXGBXAGGSA-N 317.349 -0.471 30 20 DBED C#CCNC1CC2(C1)CC(NC(=O)CN1C(=O)CCC1=O)C2 965903024 CNQJSEOJOXGMMJ-UHFFFAOYSA-N 303.362 -0.214 30 20 DBED CNC(=O)Cc1noc(CN[C@@H]2CCN(C(=O)[C@H](C)C#N)C2)n1 967727062 CFITVOASPZDWIA-NXEZZACHSA-N 320.353 -0.792 30 20 DBED C[C@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)[C@@H]1CCCNC1=O)C2 969817067 HJLIMOJGQQVGNK-MROQNXINSA-N 318.377 -0.126 30 20 DBED C#Cc1cncc(C(=O)N2CC[C@@H](NCc3nnnn3C)C2)c1 969888615 RCYHWSRLOQDAGT-CYBMUJFWSA-N 311.349 -0.409 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@]2(CN(Cc3cn(C)nn3)CCO2)C1 972297970 OSUTXTWSUCRLBZ-WFASDCNBSA-N 318.381 -0.222 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3COCCO3)C2)[nH]1 973898444 UGJHCSCQNACEGI-LOWVWBTDSA-N 318.333 -0.321 30 20 DBED O=C(C[C@@H]1COC(=O)C1)N[C@H]1[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]21 976362899 AYUHDWHAJZITLB-APNQJHFZSA-N 316.357 -0.074 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]1CN(C)C(=O)c1nccnc1N 977485565 ISHOUZHRUXRVKS-NXEZZACHSA-N 302.338 -0.109 30 20 DBED C#CCCN1C[C@H]2C(CNC(=O)c3cn(C)c(=O)nc3O)[C@@H]2C1 979056582 CMNUBOQPQRAJGA-RYUDHWBXSA-N 316.361 -0.583 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@H](CNC(=O)c3nc[nH]n3)C2)c1 982608206 WEVOOXKOBRRBQI-SECBINFHSA-N 313.321 -0.103 30 20 DBED Cc1nc(C(=O)N2CC[C@@H](NCC#N)[C@@H]2C)nn1-c1nc[nH]n1 986635791 QDBJDGBIEWFWOV-WCBMZHEXSA-N 315.341 -0.590 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CN(C(=O)C3(C(N)=O)CC3)C[C@@]2(C)C1 993351616 ILAHDYSRIJCBTN-ZIBATOQPSA-N 318.377 -0.282 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CN(C(=O)C(N)=O)C[C@@]2(C)C1 993452846 JTPHNYMVOVPAKM-MEQWQQMJSA-N 321.377 -0.630 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](NCCN2CCNC2=O)C(C)(C)C1 995546574 DZVOIIDZBDXYLD-NWDGAFQWSA-N 307.398 -0.002 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2cn(C)c(=O)nc2O)CC1(C)C 996606970 QJIFWFWEEQOCLQ-LLVKDONJSA-N 304.350 -0.441 30 20 DBED CN(C(=O)c1c[nH]c(C#N)c1)C1CC(N[C@@H]2CCNC2=O)C1 998660797 PUQIVIJTDQSLOM-KGPNIALWSA-N 301.350 -0.033 30 20 DBED N#CCN1CC[C@H](n2cc(CNC(=O)c3ncc[nH]3)nn2)C1 999992845 RUXQZLVKYFAPFE-NSHDSACASA-N 300.326 -0.298 30 20 DBED C#CCN1CC=C(CNC(=O)[C@H]2COCCN2C(C)=O)CC1 1001462286 OCDZNLKJYLWYON-OAHLLOKOSA-N 305.378 -0.385 30 20 DBED N#CCN1CCC(NC(=O)Cc2ccc(C(N)=O)nc2)CC1 1003153098 URXTVVADOKDTGQ-UHFFFAOYSA-N 301.350 -0.173 30 20 DBED C#CCN1CCC(NC(=O)c2nc(O)nc(O)c2OC)CC1 1003961617 KYUXXUYLPOGTEU-UHFFFAOYSA-N 306.322 -0.276 30 20 DBED C[C@H](C#N)C(=O)N1CC(CNC(=O)[C@H]2CCCCN2C(N)=O)C1 1004588751 BUHUVRZQQUKVOB-ZYHUDNBSSA-N 321.381 -0.346 30 20 DBED C#CCCN1CCC[C@@H](NC(=O)[C@@H]2COCCN2C(C)=O)C1 1009579426 NXNUMEFHSVRBEI-CABCVRRESA-N 307.394 -0.162 30 20 DBED O=C1CC[C@@H](C(=O)N2CCN(C(=O)C#CC3CC3)CC2)CN1 1011107849 SZSJBNCYVXDTCT-CYBMUJFWSA-N 303.362 -0.403 30 20 DBED N#Cc1ccc(C(=O)NC2[C@H]3CN(C(=O)c4nc[nH]n4)C[C@H]23)[nH]1 1012972311 SPCIEVZMZYTPLL-IUCAKERBSA-N 311.305 -0.495 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCCN(C(=O)C(N)=O)[C@@H]2C)nn1 1014955390 KNBAWJARRGVNDH-ZJUUUORDSA-N 320.353 -0.941 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCN([C@H]3CCN(C)C3=O)C2)nn1 1015810864 STDLLRRWMORKGA-YPMHNXCESA-N 318.381 -0.501 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)C1 1016337924 BHFHSHCTMFWWMU-LBPRGKRZSA-N 320.397 -0.254 30 20 DBED C#CCCN1CCC2(CC1)C[C@H]2NC(=O)CN1C(=O)CNC1=O 1016965406 PVZWCCXTKPCXCS-GFCCVEGCSA-N 318.377 -0.468 30 20 DBED N#Cc1ccc(CN[C@H]2CCN(C(=O)Cn3cnnn3)C2)s1 1018479847 LTSGOGYTOZBYOK-JTQLQIEISA-N 317.378 -0.003 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCN(C(=O)c3ncn(C)n3)C2)C1 1019363131 MTNMEOZVZXHXFK-JTQLQIEISA-N 302.338 -0.351 30 20 DBED C=CCN1CC[C@H](N[C@H]2C[C@H](NC(=O)[C@@H]3CCNC3=O)C2)C1=O 1020467509 BASQLRQNFZFZEJ-LPWJVIDDSA-N 320.393 -0.854 30 20 DBED C=CCN1CC[C@H](N[C@H]2C[C@H](NC(=O)c3nc[nH]n3)C2)C1=O 1020773957 MVFHGQXHFPNJFW-DCAQKATOSA-N 304.354 -0.558 30 20 DBED COCCn1cc(C(=O)N[C@H]2C[C@@H](NCC#N)C2)ccc1=O 1022359993 YWUNTUFSQVRHCD-BETUJISGSA-N 304.350 -0.131 30 20 DBED C=C(C)CN[C@H]1C[C@@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)C1 1022801887 LILUPFPTPQHVFS-AOOOYVTPSA-N 308.338 -0.780 30 20 DBED C#CCN[C@@H]1CC[C@H]2CN(C(=O)c3cn(C)c(=O)n3C)C[C@H]21 1026428893 OLNVWFGKCCTZDA-YNEHKIRRSA-N 302.378 -0.203 30 20 DBED C=CCN1CC[C@@H](N2CC[C@@H](CNC(=O)c3cnon3)C2)C1=O 1028883400 OFLRJBNPMHLWBG-WCQYABFASA-N 319.365 -0.092 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)[C@H]3OCCO[C@H]3C)C2)C1=O 1030466158 VUIVIWFXWAYYQD-YUTCNCBUSA-N 323.393 -0.622 30 20 DBED C#CCCN1CC(CNC(=O)c2cn([C@@H]3CCOC3)nn2)C1 1032112748 ILEXCWDQALRSGD-CYBMUJFWSA-N 303.366 -0.076 30 20 DBED C#CCN1CCO[C@H](CNC(=O)[C@@H]2CCc3nnn(C)c3C2)C1 1035492619 ZAYSCEAATNZQQP-CHWSQXEVSA-N 317.393 -0.630 30 20 DBED CC#CCN1CC[C@@H]2CN(C(=O)CN3CC(=O)NC3=O)CC[C@H]21 1036843291 DBABNPZMCPJYBH-CHWSQXEVSA-N 318.377 -0.516 30 20 DBED C=C(Cl)CN1C[C@H]2C[C@H]1[C@H]2NC(=O)C1CS(=O)(=O)C1 1037413769 DVVXVRSIMGSBEU-MIMYLULJSA-N 304.799 -0.028 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2CCN2[C@H]2CCCNC2=O)nn1 1038791315 OXESLVOVLHWSFR-AAEUAGOBSA-N 318.381 -0.453 30 20 DBED C#CCCCC(=O)NC[C@@]1(O)CCN(C(=O)c2ccncn2)C1 1039573513 HVUZPFJDXLCLIO-INIZCTEOSA-N 316.361 -0.027 30 20 DBED CC(C)C#CC(=O)NC[C@@]1(O)CCN(C(=O)c2cnn(C)c2)C1 1039664290 NKPMVHJRZUQULT-INIZCTEOSA-N 318.377 -0.227 30 20 DBED Cc1cc(C(=O)N2CC[C@@](O)(CNC(=O)[C@H](C)C#N)C2)on1 1040762343 HICOPUQYULIJFM-YMTOWFKASA-N 306.322 -0.164 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)CCc2cnc[nH]2)C1 1040765579 JJIJYQQBLVMTRR-NHYWBVRUSA-N 319.365 -0.418 30 20 DBED N#Cc1nccnc1N1C[C@@H](O)[C@H](NC(=O)c2cscn2)C1 1040946276 YIHNGIRWDYDMQF-MWLCHTKSSA-N 316.346 -0.216 30 20 DBED N#Cc1cnccc1N1C[C@@H](O)[C@H](NC(=O)Cc2cnc[nH]2)C1 1041369850 QDPRNSQSHOHUHD-TZMCWYRMSA-N 312.333 -0.415 30 20 DBED C[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1NC(=O)c1cn(C)nn1 1041858521 ZKCBUEBZXIXOSY-MWLCHTKSSA-N 312.337 -0.269 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)c2n[nH]c(C)c2C)C1 1042194543 ULUQQYWHOOZZSR-UHFFFAOYSA-N 322.365 -0.468 30 20 DBED CO[C@@H]1CN(c2nccnc2C#N)C[C@H]1NC(=O)c1nc[nH]n1 1042871453 SILPPBADCQHEBO-NXEZZACHSA-N 314.309 -0.900 30 20 DBED Cc1ncc(CC(=O)N2CC(O)(CNC(=O)C#CC3CC3)C2)o1 1042960579 LXBGJLZPZMDKLC-UHFFFAOYSA-N 317.345 -0.372 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)c2cnc(C)[nH]2)C1 1043032872 KPGHBWAOSPRIKM-UHFFFAOYSA-N 320.349 -0.939 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)c2ccsn2)C1 1043036533 OKNORSKQTPGEDL-UHFFFAOYSA-N 323.374 -0.514 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1043040376 RMEIMFQIXNLZJX-GFCCVEGCSA-N 304.346 -0.872 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)CSC)C1 1043041336 HGSGANBYQRVUFI-JTQLQIEISA-N 300.380 -0.923 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(O)(CNC(=O)c2[nH]cnc2C)C1 1043825909 GCCJGSQAVUYWLA-AWEZNQCLSA-N 322.365 -0.652 30 20 DBED Cc1cc(C)n(CC(=O)NCC2(O)CN(C(=O)[C@@H](C)C#N)C2)n1 1043856918 PQXUAJNOWNPLIG-JTQLQIEISA-N 319.365 -0.651 30 20 DBED C#CCCCCC(=O)N1CC(O)(CNC(=O)c2nc[nH]n2)C1 1044771091 QKLYOLSFXPHADE-UHFFFAOYSA-N 305.338 -0.699 30 20 DBED C=C[C@H](C)[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2ncn(C)n2)C1 1044980534 OADGLMYCTFOJOH-WDEREUQCSA-N 321.381 -0.424 30 20 DBED N#CCN1[C@H]2CC[C@H]1CN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)CC2 1045848089 HZYCEVMIMLYBPU-ZDEQEGDKSA-N 306.366 -0.392 30 20 DBED C=CCN1CC[C@@H](N2CCN(C(=O)CN3CCOCC3)CC2)C1 1046021099 ACLROEMHTPHWAN-MRXNPFEDSA-N 322.453 -0.277 30 20 DBED C=CCN1C[C@H]2C[C@@H](NC(=O)Cn3c(O)nnc3O)C[C@H]1C2 1047190895 LMHVBFGWMVDNBO-HBNTYKKESA-N 307.354 -0.156 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC(=O)N(C(C)C)C2)C1 1047400535 VXNHPYMHUDIMAC-RDBSUJKOSA-N 309.410 -0.067 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CSCC#N)C1 1048302040 NATSGMNNRZSUDT-STQMWFEESA-N 323.418 -0.067 30 20 DBED C=CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cn2nccn2)C1 1048907036 DBOMZEJTSFEHHQ-STQMWFEESA-N 321.381 -0.336 30 20 DBED N#Cc1cccnc1N(CCO)[C@H]1CCCN(C(=O)C(N)=O)C1 1049163337 BYHCBAVLEQCORH-LBPRGKRZSA-N 317.349 -0.772 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)C2(C)CCOCC2)C[C@@H]1O 1049395737 XOYKDWUSPSACQK-AGIUHOORSA-N 323.393 -0.007 30 20 DBED C#CCCN1CCC2(CC1)CN(C(=O)CN1CCOCC1=O)C2 1050547866 JCANKSBCAQOZLW-UHFFFAOYSA-N 319.405 -0.207 30 20 DBED Cn1cnn(CC(=O)N2CC3(CCN(CC#N)CC3)C2)c1=O 1050572762 YJJHFYLYENVBKT-UHFFFAOYSA-N 304.354 -0.970 30 20 DBED N#CCN1CCOC[C@H]1CNC(=O)[C@@H]1CCc2ncncc2C1 1050952628 RPYLQHFLGYYHAZ-TZMCWYRMSA-N 315.377 -0.078 30 20 DBED C#CCCCC(=O)N[C@H](C)[C@@H]1CCN(C(=O)c2nnn(C)n2)C1 1051342642 XCFPSRIJUQZJDQ-VXGBXAGGSA-N 318.381 -0.020 30 20 DBED C#CCN1CC2(C1)CN(C(=O)c1cnc(O)cc1OC)CCO2 1053434711 UZFCNOQPGZJPLS-UHFFFAOYSA-N 317.345 -0.044 30 20 DBED C#CCN1CC2(CC[C@H](CNC(=O)c3cn(C)c(=O)cn3)O2)C1 1053629302 LOIKKBXXCODNQX-GFCCVEGCSA-N 316.361 -0.623 30 20 DBED C[C@H](C(=O)NC1[C@H]2CN(c3cnc(C#N)cn3)C[C@H]12)n1cncn1 1056168113 HXJNYDLPUDHMAD-USWWRNFRSA-N 324.348 -0.248 30 20 DBED Cn1nccc1CC(=O)NC1[C@@H]2CN(c3ccnc(C#N)n3)C[C@@H]12 1056173366 OWXSBFUQUJBOJK-VXGBXAGGSA-N 323.360 -0.125 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)Cc1cnoc1 1057196858 YPARFVOPQRDUNH-UHFFFAOYSA-N 311.338 -0.643 30 20 DBED Cc1cc(=NC2CCN(C(=O)CC(N)=O)CC2)c(C#N)c[nH]1 1057299276 AJPDEBUYYLRXSE-UHFFFAOYSA-N 301.350 -0.038 30 20 DBED COC(=O)[C@@H]1C[C@H]1C(=O)NCCN(CCO)C(=O)C#CC1CC1 1057531747 XRWGXBQIOXDFBB-CHWSQXEVSA-N 322.361 -0.854 30 20 DBED CS(=O)(=O)CC(=O)N1CCC[C@H](Nc2cncc(C#N)n2)C1 1057576662 FXXWQRUVTLDBMJ-JTQLQIEISA-N 323.378 -0.204 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)CC[C@H]1CCOC1 1058653461 VXZYTGOOIHCKIH-STQMWFEESA-N 311.382 -0.100 30 20 DBED C=CCCO[C@H](C)C(=O)N1CC[C@H](CCNC(=O)C(N)=O)C1 1059293790 ZECHWZFVZPZYDA-NEPJUHHUSA-N 311.382 -0.192 30 20 DBED C=CCOCC(=O)N1CC[C@@H](CCNC(=O)C2(C(N)=O)CC2)C1 1059337671 NGZMAHFAFSTXMR-GFCCVEGCSA-N 323.393 -0.191 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](CCNC(=O)c2nnn(C)n2)C1 1060295386 VQELGYXWPPRWIZ-UWVGGRQHSA-N 305.342 -0.662 30 20 DBED N#Cc1cnc(N2CCC[C@@H]2CNC(=O)[C@H]2C[C@H]2C(N)=O)cn1 1061444698 GDDMUMMJKQHGAA-UTUOFQBUSA-N 314.349 -0.445 30 20 DBED C=CCCC(=O)N1CCOC[C@H]1CNC(=O)CC(=O)NCC 1061517783 FUGMYOAADHLXAK-GFCCVEGCSA-N 311.382 -0.178 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(NC(=O)[C@@H]2COCCO2)CCC1 1063041603 ADZAJUBKBQSRPQ-STQMWFEESA-N 324.377 -0.405 30 20 DBED C=CCOCC(=O)NC1(CNC(=O)C(C)(C)C(N)=O)CCC1 1063368879 DXIWUALWIYTQDM-UHFFFAOYSA-N 311.382 -0.144 30 20 DBED N#Cc1cnc(N2CCO[C@@H](CNC(=O)c3nc[nH]n3)C2)cn1 1063640164 YFRGRMBNXVKNOL-JTQLQIEISA-N 314.309 -0.898 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H]1CN(C(=O)C2CCC2)CCO1 1064730057 NQDXAAHISLAQDS-CYBMUJFWSA-N 321.377 -0.730 30 20 DBED C=CCOCC(=O)N1CCO[C@@H](CNC(=O)[C@H]2CCOC2)C1 1064972638 YXRVVWXCJDQMCM-STQMWFEESA-N 312.366 -0.431 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)Cn2nccn2)CCO1 1065195355 MVYMRSPUFPULMO-CYBMUJFWSA-N 319.365 -0.575 30 20 DBED C=C(C)CCC(=O)N1CCO[C@@H](CNC(=O)[C@H]2CNC(=O)N2)C1 1065224391 OOBDYILGWKIXJG-NWDGAFQWSA-N 324.381 -0.632 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)[C@H]2CC(=O)N(C)C2)CCO1 1065243187 NWUSYXMGCXGLBP-QWHCGFSZSA-N 323.393 -0.226 30 20 DBED C=CC(C)(C)C(=O)NC[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)CCO1 1065625505 OYJTZMVBCFCOIF-UTUOFQBUSA-N 323.393 -0.336 30 20 DBED N#Cc1ccc(N2C[C@H]3CC[C@H]2CN3C(=O)CC(N)=O)nn1 1068033637 HRRLRTZYEMRNAO-WDEREUQCSA-N 300.322 -0.597 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC2(C[C@@H](NC(=O)COC)CO2)C1 1068655140 YYLQAHORDLBJMH-NWDGAFQWSA-N 312.366 -0.290 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@@H](C)n2cncn2)C[C@@H]1n1ccnn1 1070179800 IFCJJLMYONOKDY-UPJWGTAASA-N 314.353 -0.895 30 20 DBED N#CCN[C@@H]1CN(C(=O)C[C@@H]2CCCOC2)C[C@@H]1n1ccnn1 1070329569 WLNXILMVFGQAEG-MJBXVCDLSA-N 318.381 -0.040 30 20 DBED NC(=O)NCCC(=O)N[C@@H]1CCCN(C(=O)C#CC2CC2)C1 1070707931 OXKDAOKHYOPDKY-GFCCVEGCSA-N 306.366 -0.435 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)Cc2n[nH]c(C)n2)CC1 1070961577 VHYHPCGJUGQIKL-UHFFFAOYSA-N 320.397 -0.508 30 20 DBED C=CCCC(=O)N1C[C@H](C)[C@@H](NC(=O)Cn2cnnc2O)C1 1071786401 DHCVXAXCYNETPS-QWRGUYRKSA-N 307.354 -0.087 30 20 DBED C=CCCC(=O)N1C[C@H](C)[C@H](NC(=O)Cn2cnnc2O)C1 1071786402 DHCVXAXCYNETPS-WDEREUQCSA-N 307.354 -0.087 30 20 DBED C#CCCN1CCC2(C1)CN(C(=O)CN1C(=O)CN(C)C1=O)C2 1073412364 NKJYQWDDEUWUOP-UHFFFAOYSA-N 318.377 -0.562 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)c3n[nH]c(C)c3O)C[C@@H]21 1074219508 QMFTXVGOEBCBHH-NWDGAFQWSA-N 304.350 -0.028 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)Cc3cncn3C)C[C@@H]21 1074385167 RGLCYTOVABQTBU-GJZGRUSLSA-N 302.378 -0.103 30 20 DBED C[C@@H](CCNC(=O)c1ccc(C#N)[nH]1)NC(=O)[C@@H]1CNC(=O)N1 1076182087 SESCJPXJGCLAGY-KWQFWETISA-N 318.337 -0.808 30 20 DBED C#CCOCCC(=O)NCC[C@H](C)NC(=O)[C@H]1CCC(=O)N1C 1076507755 UPIYVYIDYJYNGU-QWHCGFSZSA-N 323.393 -0.342 30 20 DBED C[C@@H](CCNC(=O)[C@H]1CCNC1=O)NC(=O)c1cc(C#N)c[nH]1 1077733334 IZPWILGMTNNKHB-GXSJLCMTSA-N 317.349 -0.353 30 20 DBED C=CCOCC(=O)N[C@@H](C)CCNC(=O)[C@H]1CN(C)C(=O)N1 1077735183 RLCJCUWQBSKFIC-WDEREUQCSA-N 312.370 -0.776 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H](C)CCNC(=O)c1cnc(O)n1C 1077736367 PJZKUVVSTNGKKO-WDEREUQCSA-N 322.365 -0.211 30 20 DBED C[C@@H](CCNC(=O)Cc1nc[nH]n1)NC(=O)c1cc(C#N)c[nH]1 1078594967 UTQVGFHFVNEVGY-VIFPVBQESA-N 315.337 -0.128 30 20 DBED CCN(C(=O)CNC(C)=O)C1CN(C(=O)c2ccc(C#N)[nH]2)C1 1079226873 SAHJFUJLIDNELI-UHFFFAOYSA-N 317.349 -0.305 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)NC)C[C@H]1C 1079878297 QRCPGMDHGQZQBJ-MCIONIFRSA-N 306.410 -0.734 30 20 DBED CCOCC(=O)NC[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1O 1081221433 UFZZEUVYBRZDAD-AAEUAGOBSA-N 320.349 -0.528 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)CN2CCCC2=O)C[C@H]1O 1081333003 NKKAWQLZOBGMGZ-QWHCGFSZSA-N 323.393 -0.490 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)C23CCN(CC2)C3)C[C@@H]1O 1081336179 UYZJNARPUYVGRL-KBPBESRZSA-N 321.421 -0.016 30 20 DBED CC#CCN1C[C@@H](NC(=O)c2cn(C)nc2OC)[C@H](OC)C1 1082018784 UUHJGXIBWWXEAD-CHWSQXEVSA-N 306.366 -0.119 30 20 DBED C#CCOCCC(=O)N1CCCC[C@H]1CNC(=O)c1nc[nH]n1 1082074880 SJYDTQSPCGFELX-LBPRGKRZSA-N 319.365 -0.045 30 20 DBED C#CCO[C@H](C)C(=O)N1CCCC[C@H]1CNC(=O)CC(N)=O 1082075795 GDJIBRMIRCLVID-NEPJUHHUSA-N 309.366 -0.603 30 20 DBED C#CCN1C[C@@H](NC(=O)C(=O)N2CCC[C@H]2CC)[C@H](OC)C1 1082310304 KFDAHYVOYDXCIH-MGPQQGTHSA-N 307.394 -0.164 30 20 DBED Cc1nonc1CN1C[C@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 1083392670 SWXVEVWYNFAZBF-OLZOCXBDSA-N 316.321 -0.447 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)c2cnc(C)nc2OC)C1 1083507153 URMGKPJGXOWUKM-OLZOCXBDSA-N 304.350 -0.408 30 20 DBED C#CCCN1CC[C@@H]2CCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C[C@@H]21 1085045553 XYQRKUKJLAUEFV-AGIUHOORSA-N 318.377 -0.469 30 20 DBED C=CCCN1CC[C@@H]1CN(C)C(=O)c1cn(C)c(=O)n(C)c1=O 1085850394 VXVORNJPQBICKR-GFCCVEGCSA-N 320.393 -0.194 30 20 DBED C#CCN1CCC(C(=O)N(C)C[C@@H]2CCN2CC(N)=O)CC1 1085986595 IIPFNXUDAAGMIJ-AWEZNQCLSA-N 306.410 -0.650 30 20 DBED CC(C)(C)OCC(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1O 1090406900 KJEIREWRRFUEHU-VXGBXAGGSA-N 319.365 -0.171 30 20 DBED N#CCN1CC[C@H](NC(=O)Cn2ncc3cccnc32)[C@H](O)C1 1090436322 PTXLNKUFTNYISD-QWHCGFSZSA-N 314.349 -0.494 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2cn(CCC=C)nn2)[C@@H](O)C1 1090637841 LUGVEBPTCMMJHD-OCCSQVGLSA-N 303.366 -0.348 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cnccc2N(C)C)[C@@H](O)C1 1090732311 BJFKUSSHQKIOKK-ZFWWWQNUSA-N 302.378 -0.054 30 20 DBED C=CCCN1CC[C@H](NC(=O)c2nccnc2C(N)=O)[C@H](O)C1 1090793330 INCLYDWLLGDHBR-WDEREUQCSA-N 319.365 -0.683 30 20 DBED C=CCN1CC[C@H](NC(=O)C2CCN(C(N)=O)CC2)[C@H](O)C1 1090797252 WHIDLAIUPPVHEF-QWHCGFSZSA-N 310.398 -0.486 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(c2ncccn2)C[C@H]1OC 1090921412 KCGIZWWEAFPTBC-CHWSQXEVSA-N 304.350 -0.164 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(c2nc(C)ncc2C)C[C@@H]1O 1091081691 FMQULCKPZCHRMB-OLZOCXBDSA-N 306.366 -0.038 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@@H]1O 1091093120 RFXDZIRVAVLZDT-IJEWVQPXSA-N 316.361 -0.054 30 20 DBED CCCN(C)CC(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1091130058 NIBBRTZLATZRTI-NEPJUHHUSA-N 318.381 -0.644 30 20 DBED C#Cc1cncc(C(=O)NC[C@@H]2CN(CC(N)=O)C[C@H]2C)c1 1092952557 MSTJHJVLBPNYKN-BXUZGUMPSA-N 300.362 -0.154 30 20 DBED C[C@@H]1CN(C)C[C@H](C(=O)NCCCN=c2cc[nH]c(C#N)n2)O1 1094868131 GKFIGIGFOHOVBH-VXGBXAGGSA-N 318.381 -0.593 30 20 DBED CNC(=O)NCC(=O)N1CC[C@H](N(C)c2nccnc2C#N)C1 1095157782 VXJLMUXSKWZYDY-JTQLQIEISA-N 317.353 -0.686 30 20 DBED CN(CCCNC(=O)CN1CCCC1=O)c1cncc(C#N)n1 1095486168 JXCONPJBZHBELR-UHFFFAOYSA-N 316.365 -0.087 30 20 DBED C[C@H](NC(N)=O)C(=O)N[C@@H]1CCN(c2nccnc2C#N)C1 1096356751 ZKLAQJCPKTWUHI-DTWKUNHWSA-N 303.326 -0.900 30 20 DBED CC(C)(C(N)=O)C(=O)N[C@@H]1CCN(c2cncc(C#N)n2)C1 1096444194 BWJPVAYMFPFXBV-SECBINFHSA-N 302.338 -0.445 30 20 DBED Cc1cc(=N[C@H](C)CNC(=O)C2(C(N)=O)CC2)c(C#N)c[nH]1 1098225339 CSXRZNVSCZZUBC-SNVBAGLBSA-N 301.350 -0.134 30 20 DBED C[C@H](CNC(=O)c1cc(=O)n(C)cn1)Nc1ccc(C#N)nn1 1098362383 COBLIXDEWYWENZ-SECBINFHSA-N 313.321 -0.328 30 20 DBED C[C@H](CNC(=O)c1cn(C)c(=O)cn1)Nc1nccnc1C#N 1098429887 VNFVCSXFOIDNTQ-SECBINFHSA-N 313.321 -0.328 30 20 DBED C[C@@H](CCNC(=O)CS(C)(=O)=O)N=c1cc[nH]c(C#N)n1 1098853931 UBHMPLAFQOXLQK-VIFPVBQESA-N 311.367 -0.879 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@@H]2CCNC2=O)C[C@H]1C(F)(F)F 1099289455 NTVBLDDRJKQSIM-OPRDCNLKSA-N 303.284 -0.265 30 20 DBED C[C@H](CCNC(=O)CO[C@H]1CCOC1)N=c1cc[nH]c(C#N)n1 1099545889 LEGNGBJUVFFJCP-NEPJUHHUSA-N 319.365 -0.118 30 20 DBED C=CCCC(=O)N[C@@H]1CCN(CCCS(C)(=O)=O)C[C@H]1O 1099724569 OWYFRZQWLWNSRH-CHWSQXEVSA-N 318.439 -0.061 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)c2ocnc2C)[C@@H](O)C1 1099755874 SUPQVKQCMWPRFP-RYUDHWBXSA-N 322.365 -0.550 30 20 DBED C#CCCCC(=O)N[C@@H]1CCN(Cc2n[nH]c(C)n2)C[C@@H]1O 1099804909 UCQVGZBXXFWECN-OLZOCXBDSA-N 305.382 -0.032 30 20 DBED CC#CCCCC(=O)N[C@@H]1CCN(CC(=O)NCC)C[C@@H]1O 1099962227 LPOIUWYDVJAQNA-KGLIPLIRSA-N 309.410 -0.133 30 20 DBED C=CCN1CC[C@H](NC(=O)CCCS(C)(=O)=O)[C@H](O)C1 1100031517 GPYAHGKTRQKHJU-NWDGAFQWSA-N 304.412 -0.451 30 20 DBED CN(CCNC(=O)c1cc(=O)n(C)cn1)c1nccnc1C#N 1100389838 IOPFTFOAXNPBNM-UHFFFAOYSA-N 313.321 -0.692 30 20 DBED CCN(CCNC(=O)C1(C(=O)NC)CC1)c1nccnc1C#N 1100566270 IJBXKVKOQTZBKB-UHFFFAOYSA-N 316.365 -0.183 30 20 DBED CCN(CCNC(=O)[C@H]1CCC(=O)NC1)c1ccc(C#N)nn1 1100765723 WMULSFRVJBQORY-NSHDSACASA-N 316.365 -0.183 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)COCCC=C)C1 1101055102 ISXBBJAVOPRLGC-UHFFFAOYSA-N 307.394 -0.187 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)CCCCC(N)=O 1101770795 JMVPOQSJXZWXKZ-UHFFFAOYSA-N 304.354 -0.314 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)[C@@H]2CCN(C)C2)C1 1102578313 VRDAEZCJSLAUPE-RBSFLKMASA-N 320.437 -0.628 30 20 DBED CC[C@H](CNC(=O)CN1CCOCC1)Nc1cncc(C#N)n1 1103034725 NFLQCCYRBXBNBR-GFCCVEGCSA-N 318.381 -0.013 30 20 DBED C#CCN1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C)NS(C)(=O)=O)C1 1103470896 MIEPJODURJQHRA-JHJVBQTASA-N 315.439 -0.369 30 20 DBED C[C@H](CN=c1cc[nH]cc1C#N)CNC(=O)C1CS(=O)(=O)C1 1104096641 OJMLCCLXIGQQOD-SNVBAGLBSA-N 322.390 -0.416 30 20 DBED C[C@H](CNC(=O)[C@H]1CNC(=O)N1)CNc1ccc(C#N)nn1 1104183291 DLJHEFXBFMYRMP-WCBMZHEXSA-N 303.326 -0.806 30 20 DBED C#CCNCC[C@@H]1CN(C(=O)CCS(=O)(=O)NC)C[C@H]1C 1104186914 KBHCVAROXJWVCV-CHWSQXEVSA-N 315.439 -0.367 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CN(c2cncc(C#N)n2)CCO1 1104302541 XOALSBBZLMLNLD-CMPLNLGQSA-N 300.322 -0.171 30 20 DBED C[C@H](CNc1cncc(C#N)n1)N(C)C(=O)[C@@H]1CNC(=O)N1 1104784336 DZSHHWWCSBXNET-SCZZXKLOSA-N 303.326 -0.712 30 20 DBED C=CCNC(=O)CNC[C@@H]1CN(C(=O)C2=COCCO2)C[C@H]1C 1105787062 LHLKJYBYHNQLTD-CHWSQXEVSA-N 323.393 -0.139 30 20 DBED C=CCOCC(=O)N1C[C@@H](C)[C@H](CNCCN2CCNC2=O)C1 1105941610 DMISAIBBNDVDHP-ZIAGYGMSSA-N 324.425 -0.102 30 20 DBED C#CCOCCC(=O)NC[C@@H](O)CNc1nccc(OC)n1 1105966310 MMELVZQSAIAXTN-LLVKDONJSA-N 308.338 -0.586 30 20 DBED Cn1cncc1C(=O)NC[C@@H](O)CNc1ccc(C#N)nn1 1106011898 WLWIDGUEPHXBRC-JTQLQIEISA-N 301.310 -0.715 30 20 DBED Cc1nsc(NC[C@@H](O)CNC(=O)c2nnn(C)n2)c1C#N 1106054993 LOZHAUBTFJFEID-ZETCQYMHSA-N 322.354 -0.951 30 20 DBED CCc1nc(C#N)cc(NC[C@@H](O)CNC(=O)CCN(C)C)n1 1106084932 INRJYKVOKRGQAN-GFCCVEGCSA-N 320.397 -0.249 30 20 DBED CCC(=O)N[C@@H](C)C(=O)NC[C@@H](O)CN=c1cc[nH]cc1C#N 1106140825 PQUUKHJPGFUXHP-JQWIXIFHSA-N 319.365 -0.821 30 20 DBED CCN(CCNc1cncc(C#N)n1)C(=O)[C@@H]1CN(C)CCO1 1106710129 XHSJGYZGOOIWQS-ZDUSSCGKSA-N 318.381 -0.061 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)c1cn(C)c(O)n1 1106934771 GVTGARXNTDZPSX-UHFFFAOYSA-N 315.337 -0.217 30 20 DBED N#CCN1CC[C@@]2(CNC(=O)Cn3c(O)nnc3O)CCC[C@@H]12 1107619550 ZNUXNZWUUBGJRC-QMTHXVAHSA-N 320.353 -0.426 30 20 DBED COc1nn(C)cc1C(=O)NC[C@@]1(C)CN(CC#N)CCO1 1108113998 ZPQHNMXGYRLVHI-AWEZNQCLSA-N 307.354 -0.227 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)[C@H]2CN(CC)CCO2)C1 1108409928 MNROWRUQOOULJO-GDBMZVCRSA-N 309.410 -0.453 30 20 DBED C[C@@H](CN(C)c1ncccc1C#N)NC(=O)C1CS(=O)(=O)C1 1109117386 XUAOPPUBMUILFU-JTQLQIEISA-N 322.390 -0.061 30 20 DBED Cc1cc(N(C)C[C@@H](C)NC(=O)[C@@H]2CNC(=O)N2)c(C#N)cn1 1109210906 KZSWUYSIZWGSSV-PWSUYJOCSA-N 316.365 -0.116 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1ncc[nH]1 1109237081 SWMNQBLJKZIFRF-WOPDTQHZSA-N 301.350 -0.506 30 20 DBED CNC(=O)NCC(=O)N[C@@H](C)CN(C)c1ccc(C#N)nn1 1109287321 JZBYLCVKHQFBKZ-VIFPVBQESA-N 305.342 -0.782 30 20 DBED N#Cc1ccc(NC[C@H](NC(=O)Cn2cncn2)C2CC2)nn1 1109848319 DUCCCRHJKVAZCY-LBPRGKRZSA-N 312.337 -0.053 30 20 DBED CNC(=O)CC(=O)NC1(C)CCN(c2ccnc(C#N)n2)CC1 1110584368 NCYGEKNBYWGPBW-UHFFFAOYSA-N 316.365 -0.041 30 20 DBED CC[C@@H](OC)C(=O)NC[C@]1(O)CCN(c2cnc(C#N)cn2)C1 1111044535 ZTRUXXLACWHNTC-IUODEOHRSA-N 319.365 -0.169 30 20 DBED N#Cc1c(F)cccc1NCCN(CCO)C(=O)CC(N)=O 1111440952 NSOUFEWRPAONKK-UHFFFAOYSA-N 308.313 -0.194 30 20 DBED C#CCNC[C@]12CCC[C@H]1CN(C(=O)C1CS(=O)(=O)C1)C2 1112366833 MLFNVSPLZIPZBB-ZFWWWQNUSA-N 310.419 -0.118 30 20 DBED N#CCSCC(=O)N1CCN(Cc2nnnn2C2CC2)CC1 1112629083 OINUIBPZYDWGHM-UHFFFAOYSA-N 321.410 -0.091 30 20 DBED C#CCCCC(=O)N1CCN(CC(=O)NC(=O)NCC=C)CC1 1112803036 NZFMMHYNHCVUQB-UHFFFAOYSA-N 320.393 -0.054 30 20 DBED C#CCOCCC(=O)N1CCN(CCN2CCCC2=O)CC1 1112845046 RNBWWUPUSKZQMW-UHFFFAOYSA-N 307.394 -0.207 30 20 DBED CNC(=O)NCC(=O)N[C@H](C)[C@H](C)Nc1nc(C)cc(C#N)n1 1113350508 UYQSVKITUALZAU-ZJUUUORDSA-N 319.369 -0.109 30 20 DBED C[C@@H](CNC(=O)[C@H]1CN(C)C(=O)N1)N(C)c1ccc(C#N)nn1 1113802062 GTAYWVZWCSJGHE-GXSJLCMTSA-N 317.353 -0.687 30 20 DBED N#CCSCC(=O)NC1[C@H]2CN(CC(=O)NCC3CC3)C[C@H]12 1113891736 XDQXNESNAHOVFD-RYUDHWBXSA-N 322.434 -0.184 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)CCCOC)[C@H]2C1 1113938849 WIQFGCASOPJRMM-CXTNEJHOSA-N 307.394 -0.403 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)CCC(=O)NCC)[C@H]2C1 1114045287 XERNBQUPCKQXAS-ATCWAGBWSA-N 322.409 -0.749 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1[C@@H]2CN(CC(=O)N3CCOCC3)C[C@@H]21 1114067023 LRJABUFLHHFNFZ-NMKXLXIOSA-N 306.366 -0.949 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H]1[C@@H]2CN(CC(=O)NC3CC3)C[C@@H]21 1114271272 RVMQXSPMUWNUOI-MUYACECFSA-N 305.378 -0.650 30 20 DBED C#CCOCCNC(=O)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1 1117391017 PPVPZWVIXBWTCQ-SNVBAGLBSA-N 321.299 -0.495 30 20 DBED C#CCOc1ccc(NC(=O)C(=O)NN2CC(=O)NC2=O)cc1 1117437902 BECOPXXZENRGKT-UHFFFAOYSA-N 316.273 -0.780 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)NCc1cccn(CC)c1=O 1117543263 DXHVDRDUEMONEB-GFCCVEGCSA-N 307.350 -0.198 30 20 DBED CN(CCN1CCCCC1)C(=O)C(=O)N1CC[C@](O)(CC#N)C1 1118258784 SZHQLEZEFWYEGF-MRXNPFEDSA-N 322.409 -0.192 30 20 DBED C[C@@H](CN1CCOCC1)NC(=O)C(=O)N1CCC[C@@H](CC#N)C1 1118590267 FIWFXSGSISAZQJ-KBPBESRZSA-N 322.409 -0.024 30 20 DBED C[C@H](CN(C)C(=O)[C@@H]1CNC(=O)N1)Nc1ncccc1C#N 1120632820 DDHPGXAKTZSBOU-KOLCDFICSA-N 302.338 -0.107 30 20 DBED C=CCCC(=O)NC[C@H](CO)N=c1cc[nH]c(C(=O)OC)n1 1121197883 MPVWEXREYSVQIS-SNVBAGLBSA-N 308.338 -0.460 30 20 DBED Cc1cc(C#N)nc(N[C@H](CO)CNC(=O)[C@H]2CCCOC2)n1 1121198937 SWVRZXRLHOILCN-AAEUAGOBSA-N 319.365 -0.028 30 20 DBED CC(C)C#CC(=O)NC[C@H](CO)Nc1nccn2nnnc12 1121528262 KQKAHGNIQFLTIS-SNVBAGLBSA-N 303.326 -0.932 30 20 DBED Cc1ccc(C#N)c(N[C@@H](CO)CNC(=O)CCNC(N)=O)n1 1121591270 NZKYHRFMMQKEQR-LLVKDONJSA-N 320.353 -0.791 30 20 DBED N#Cc1cnc(N[C@@H](CO)CNC(=O)c2cnon2)c(F)c1 1121881507 GQQXTCWYHPFZOT-MRVPVSSYSA-N 306.257 -0.322 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H](CO)Nc1nccnc1C#N 1122034762 DNXGDSJPUKTGCU-GHMZBOCLSA-N 303.322 -0.724 30 20 DBED CN1C[C@@H](C(=O)NC[C@H](CO)Nc2ccc(C#N)cn2)CC1=O 1122716583 ASTAXXNKBYNTQB-NWDGAFQWSA-N 317.349 -0.679 30 20 DBED CCC(=O)N[C@H](C)C(=O)NC[C@H](CO)N=c1cc[nH]cc1C#N 1122753152 WOIKBIHKAUZRJN-ZYHUDNBSSA-N 319.365 -0.821 30 20 DBED CN(C[C@@H](O)CNc1nccnc1C#N)C(=O)CSCC#N 1124111036 BNZXXJPNEBWLIM-JTQLQIEISA-N 320.378 -0.164 30 20 DBED CCN(CC)CC(=O)N(C)C[C@H](O)CN=c1cc[nH]cc1C#N 1124364648 KQNUIDPKYHAAFQ-CQSZACIVSA-N 319.409 -0.052 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)c1nnn(C)c1C 1125184859 QICHAIVTZRNAMD-UHFFFAOYSA-N 320.397 -0.356 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)c1c[nH]c(C#N)c1 1125987934 IISMEFWKERIVBQ-UHFFFAOYSA-N 316.365 -0.032 30 20 DBED C#CCNCc1nnc2n1CC[C@@H](NC(=O)c1nc[nH]n1)CC2 1128054961 XRRMDCKYKYGPGK-JTQLQIEISA-N 314.353 -0.746 30 20 DBED C=C[C@@](C)(O)CC(=O)NCc1cnn2c1CN(CCO)CC2 1128327516 QNHCFNYFOOVUKK-OAHLLOKOSA-N 308.382 -0.366 30 20 DBED C[C@H](CC(=O)NCc1cnn2c1CN(CC#N)CC2)NC(N)=O 1128351367 WYOVEKZFIOBRRU-SNVBAGLBSA-N 319.369 -0.715 30 20 DBED C=CCN1C[C@@H](c2n[nH]c(CNC(=O)C(N)=O)n2)[C@H](C2CC2)C1 1130173403 PLZCYEXCNDPFFW-WDEREUQCSA-N 318.381 -0.482 30 20 DBED C#CCCN1CCOC[C@H]1c1n[nH]c(CNC(=O)[C@H](C)OC)n1 1130831560 KCLFGZZMGRKDAI-RYUDHWBXSA-N 321.381 -0.148 30 20 DBED CCCC(=O)N1C[C@@H]2C[C@@H]3CN(CC(=O)NCC#N)C[C@]2(C1)O3 1131167697 LHGVXITUEZLVEL-WOSRLPQWSA-N 320.393 -0.272 30 20 DBED C=CCOCCN1CC[C@]2(C1)CN(C(=O)C(N)=O)C[C@@H](C)O2 1131676438 AGMWPXOKZXVKGV-DOMZBBRYSA-N 311.382 -0.634 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1c(C)nn(C)c1Cl 1132065272 JGGACRCVWOBNNX-UHFFFAOYSA-N 311.773 -0.549 30 20 DBED C[C@@H]1CCN(C(=O)CCn2ncn(C)c2=O)C[C@@H]1CNCC#N 1132997800 KKEVSEYCYWFNRP-OLZOCXBDSA-N 320.397 -0.430 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)CCC(=O)NCC 1133904038 BFZUWLBCLXVUQG-CHWSQXEVSA-N 324.425 -0.475 30 20 DBED CNC(=O)NC(=O)CN[C@H](C)C[C@H](C)NC(=O)C#CC1CC1 1134319241 YJVJCXFDEYFTCP-MNOVXSKESA-N 308.382 -0.272 30 20 DBED Cc1nc(CC(=O)N[C@@H](C)C[C@@H](C)NCC(=O)NCC#N)n[nH]1 1134357647 YOFKALJIGMRBNU-ZJUUUORDSA-N 321.385 -0.832 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1noc2c1CCCCC2 1134529036 GIWQCTVQWOKSRD-UHFFFAOYSA-N 319.365 -0.097 30 20 DBED C=CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)c1cnnc(O)c1 1134674365 ARWUOICBXCYHCB-WDEREUQCSA-N 321.381 -0.029 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@@H](C)Cc1cnc[nH]1 1135071135 AOHIHEOOVNYRJF-RYUDHWBXSA-N 305.382 -0.568 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)[C@@H]1CCO[C@H]1C 1135780771 INMTUIBEQIBWFI-QWHCGFSZSA-N 310.398 -0.121 30 20 DBED C=C(C)CN[C@@H](C)C[C@@H](C)NC(=O)CNC(=O)Cn1cncn1 1146560928 FBHJCFVSXFAXOM-QWHCGFSZSA-N 322.413 -0.157 30 20 DBED C=CCN1CCCO[C@H](CNC(=O)Cn2ccc(O)nc2=O)C1 1149952312 AZAPUDUZLJPGGQ-GFCCVEGCSA-N 322.365 -0.658 30 20 DBED N#Cc1ccccc1CNCCNC(=O)C[C@@H]1CC(=O)NC1=O 1153882836 PQFLMXUOXQJMEC-CYBMUJFWSA-N 314.345 -0.183 30 20 DBED C#CCNC(=O)CC(=O)NCCCN[C@@H](C)c1n[nH]c(CC)n1 1156848115 SCLOEZJCXASCBW-NSHDSACASA-N 320.397 -0.337 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)CCCCN[C@@H](C)C(N)=O 1170310802 NNYJDZIDMNASRE-NEPJUHHUSA-N 310.398 -0.736 30 20 DBED C[C@H](CC(=O)NCCCNCC(=O)NCC#N)n1cccn1 1170579188 IMIGBXTZVFIMGL-GFCCVEGCSA-N 306.370 -0.430 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](NCc2nncs2)[C@@H]1C 1178508444 DOHGBLUMCPADBK-QWRGUYRKSA-N 321.406 -0.243 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)c2cnn(C)c2C)C1 1180974401 ZCGSTFOVNHXOLI-GFCCVEGCSA-N 305.382 -0.165 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)Cn2cc(C)cn2)C1 1181326143 QLOJXPPTHVAFRY-CYBMUJFWSA-N 305.382 -0.316 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)CCc2ncc[nH]2)C1 1182221105 XFWQOZWXNOGZMG-QWHCGFSZSA-N 317.393 -0.329 30 20 DBED C=CCNC(=O)[C@H](C)N(C)[C@H]1CCN(C(=O)C(C)(C)C(N)=O)C1 1190776210 NGNVCAYWWOXWOR-RYUDHWBXSA-N 324.425 -0.279 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2cncn2C)C1 1191169017 BQCTXSMERHYWFT-LBPRGKRZSA-N 305.382 -0.131 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CN(Cc2ncc(Cl)n2C)C[C@H]1O 1191865647 ZGXBYXLINQDLJO-IVZWLZJFSA-N 311.773 -0.106 30 20 DBED C[C@@]1(C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@H]2O)CC=CCC1 1193212930 UVSBXMPFBFCOSB-XJKCOSOUSA-N 320.393 -0.466 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)[C@@H]2C[C@H]2C(=O)OC)CC1 1195174421 NOXIYUSFIJKMIX-CHWSQXEVSA-N 323.393 -0.368 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)[C@H](C)CC(N)=O)CC1 1196753457 MNPLZMBYSROGDT-GFCCVEGCSA-N 310.398 -0.666 30 20 DBED N#CCNC(=O)CNC[C@@H]1CN(C(=O)C(F)F)CCCO1 1199625570 WZVXCOUSRUPKCX-SECBINFHSA-N 304.297 -0.902 30 20 DBED N#CCNC(=O)CNC[C@H]1CN(C(=O)c2ccc[nH]2)CCCO1 1199833964 ZFHZWFHGPGNJQE-LBPRGKRZSA-N 319.365 -0.525 30 20 DBED COC[C@@H](O)CNC[C@@H]1CN(C(=O)C#CC(C)C)CCCO1 1200469060 BBKZALZBKUIFAZ-LSDHHAIUSA-N 312.410 -0.140 30 20 DBED N#CCNC[C@H]1CN(C(=O)[C@H]2CCS(=O)(=O)C2)CCCO1 1200912182 QMQWOMKFUDDFBV-RYUDHWBXSA-N 315.395 -0.848 30 20 DBED C#CCNC[C@H]1CN(C(=O)Cn2nnnc2C(C)C)CCCO1 1201593355 RQWUTNQOTHBPRG-ZDUSSCGKSA-N 320.397 -0.363 30 20 DBED C#CCNC[C@@H]1CN(C(=O)C(C)(C)N2CCOCC2)CCCO1 1201638784 CTAOJVFJPAWRSE-OAHLLOKOSA-N 323.437 -0.063 30 20 DBED COCC#CCNC1CCN(C(=O)[C@@H]2CCC(=O)N2C)CC1 1202040358 JOOSAZHXGBCTBC-AWEZNQCLSA-N 307.394 -0.162 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(NCC(=O)NCC#N)CC1 1202559938 UYPICSPDMIUTAU-KGLIPLIRSA-N 320.393 -0.202 30 20 DBED C=CCNC1CCN(C(=O)CNS(=O)(=O)N(C)C)CC1 1202698795 AMAFNXWVLQDENA-UHFFFAOYSA-N 304.416 -0.851 30 20 DBED CN1CC[C@H](CC(=O)N2CCC(NCC(=O)NCC#N)CC2)C1 1203337311 GLQRMXFCMPHEPE-CYBMUJFWSA-N 321.425 -0.451 30 20 DBED C#CCNC(=O)CN[C@@H]1C[C@H](NC(=O)CCN(C)C)C12CCC2 1203358984 LWQGFQCPZISALO-KGLIPLIRSA-N 320.437 -0.296 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)CNC(=O)OC)C1 1207544014 GDLFBODIXPZIHU-VXGBXAGGSA-N 324.381 -0.939 30 20 DBED C#CCCCC(=O)N[C@@H]1CN([C@@H]2CCN(C)C2=O)C[C@H]1OC 1212184479 ABGUFSMKRSIFQG-MGPQQGTHSA-N 307.394 -0.164 30 20 DBED C#CCCCC(=O)N[C@@H]1CN([C@H]2CCCNC2=O)C[C@H]1OC 1212187285 OLPYQLQAUJDILB-HZSPNIEDSA-N 307.394 -0.116 30 20 DBED CC#CCCCC(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1OC 1213303326 JJNPESICDHRIRI-ZIAGYGMSSA-N 320.393 -0.365 30 20 DBED C[C@H](N[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C)c1nnnn1C 1214173880 NYXUCIGVBOBSLZ-OUAUKWLOSA-N 323.426 -0.036 30 20 DBED C=C(C)CCN[C@@H]1CN(C(=O)C[C@H](NC(C)=O)C(N)=O)C[C@H]1C 1215802405 DANWPBPHVRUWMR-KWCYVHTRSA-N 324.425 -0.231 30 20 DBED COCC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cnns1 1217359791 AHWBJIZMFGGLDL-NWDGAFQWSA-N 322.390 -0.287 30 20 DBED Cn1nccc1CCN1C[C@H](O)[C@H](NC(=O)CSCC#N)C1 1219216211 DMYQAJJUAHQIBL-OLZOCXBDSA-N 323.422 -0.619 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)c2cncnc2C)C1 1219243165 XOBNYFUAVUHGDC-KGLIPLIRSA-N 306.366 -0.237 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(Cc2noc(CC)n2)C[C@@H]1O 1219361779 FALGNWWIGUSRAM-MNOVXSKESA-N 310.354 -0.504 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)c2cncnc2O)C1 1219854911 AYPGYNUNLKSOSL-NEPJUHHUSA-N 308.338 -0.840 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)Cc2cnoc2)CC1 1224215236 RORCHTQULLVPEY-UHFFFAOYSA-N 318.377 -0.205 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NCC1CCN(CC(N)=O)CC1 1224752783 DWJQNXOUZUBLFE-AWEZNQCLSA-N 324.425 -0.229 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCC(NC(=O)c2ncn(C)n2)CC1 1227183278 PKGVHSUAEDYOLA-LLVKDONJSA-N 320.397 -0.300 30 20 DBED C#CCN1CCS(=O)(=O)[C@@H](CCNC(=O)C[C@H](C)OC)C1 1230437218 XEMPHVKCJDDOEK-STQMWFEESA-N 316.423 -0.350 30 20 DBED C#CC[C@H](CO)NC(=O)N[C@@H]1CCN(C2CCOCC2)C1=O 1262192061 RKCJHCMSSSECCD-DGCLKSJQSA-N 309.366 -0.550 30 20 DBED N#CCCCS(=O)(=O)NC(=O)[C@H]1CCCN(C(N)=O)C1 1320069919 DBWYDLGVJKRUBF-VIFPVBQESA-N 302.356 -0.473 30 20 DBED C#CCCCNC(=O)C(=O)NCCCCN1CCN(C)CC1 1321524299 KRKUDISSOXGGOW-UHFFFAOYSA-N 308.426 -0.340 30 20 DBED CN(C)CCOCCNC(=O)C(=O)Nc1ccc(C#N)cn1 1324514404 SMBNTQVXYDAWPI-UHFFFAOYSA-N 305.338 -0.414 30 20 DBED C#C[C@@H](C)N(C)C(=O)C(=O)Nc1cnn(CC(=O)NC2CC2)c1 1326554613 FLRZEXHBFFUJTR-SNVBAGLBSA-N 317.349 -0.420 30 20 DBED CC#CCNCc1cn(C[C@H](O)COC2CCOCC2)nn1 1331884289 MODYIMMDFHRFCO-AWEZNQCLSA-N 308.382 -0.053 30 20 DBED C=CCn1cc(CNC(=O)N2CCO[C@@H](CNC(C)=O)C2)nn1 1332026403 DZUIDWKTHNAJOJ-ZDUSSCGKSA-N 322.369 -0.489 30 20 DBED CC(=O)N[C@H]1CCN(C(=O)C(=O)N2CCC[C@H](CC#N)C2)C1 1333456142 NMDFCKVSUZHWOU-OLZOCXBDSA-N 306.366 -0.124 30 20 DBED C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)C[C@H]1CO 1334713143 QVNWDGCVPMSBTR-XUJVJEKNSA-N 309.366 -0.660 30 20 DBED C=CCC1(O)CCN(C(=O)C(=O)N2CCCNC(=O)C2)CC1 1336455298 DCCDUTVZKJCPJS-UHFFFAOYSA-N 309.366 -0.736 30 20 DBED C[C@@H](NC(=O)C(=O)N[C@@H]1CC[C@H](C#N)C1)[C@H]1CN(C)CCO1 1349029029 AOSLPHDFXUTDDF-YVECIDJPSA-N 308.382 -0.370 30 20 DBED CN(CCNS(C)(=O)=O)C(=O)c1cccc(C#CCO)c1 1350585180 FTZWOMBZQHINBY-UHFFFAOYSA-N 310.375 -0.348 30 20 DBED N#Cc1cccc(CC(=O)NCCc2nnc3n2CCNC3=O)c1 1362908440 IGNATSGGVOKTQA-UHFFFAOYSA-N 324.344 -0.205 30 20 DBED N#Cc1ccc(C(=O)N2CCS(=O)(=O)[C@H]3COCC[C@H]32)[nH]1 1363412435 FYGKVXAOOWYMJW-NEPJUHHUSA-N 309.347 -0.086 30 20 DBED CCn1cc(C#N)c(=O)n(CC2(C(=O)OC)CCOCC2)c1=O 1364281161 GDRRPKKKDVRYBX-UHFFFAOYSA-N 321.333 -0.129 30 20 DBED CC(=O)N(C)CC(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 1372234396 PJGQZNDCVDWASC-GFCCVEGCSA-N 317.349 -0.305 30 20 DBED COc1cc(OC)nc(C(=O)NC[C@@H](C)NC(=O)[C@H](C)C#N)n1 1372958109 KUTZWODWUVQVPT-RKDXNWHRSA-N 321.337 -0.112 30 20 DBED Cc1cc(C)n(CC(=O)N2CC(NC(=O)[C@@H](C)C#N)C2)c(=O)n1 1374751624 SMUXGWPHZNVKGH-VIFPVBQESA-N 317.349 -0.653 30 20 DBED C[C@@H](CNC(=O)C1CCS(=O)(=O)CC1)NC(=O)[C@@H](C)C#N 1377973933 VHRHFIYBXQZKPE-UWVGGRQHSA-N 315.395 -0.408 30 20 DBED C=C(Cl)CN1CC(O)(CNC(=O)C[C@H]2CCCC(=O)N2)C1 1380602185 ULVYKLABTNQGKI-LLVKDONJSA-N 315.801 -0.039 30 20 DBED CC(=O)N[C@H](C)C(=O)N1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 1385248253 TXFLOAMQEAWSTK-SNVBAGLBSA-N 317.349 -0.305 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CCN(C(=O)Cn2ccccc2=O)C1 1385842998 PATPBNUZJXZKJK-NEPJUHHUSA-N 302.334 -0.275 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CCCN(C(=O)Cc2nc[nH]n2)C1 1387356460 KGIYYDDBVMSNCG-MNOVXSKESA-N 304.354 -0.044 30 20 DBED CC(=O)N1CC(C(=O)NCCN(C)C(=O)c2cc(C#N)c[nH]2)C1 1387695730 KEAWCJINBCYXQU-UHFFFAOYSA-N 317.349 -0.447 30 20 DBED C[C@@H](CNC(=O)CN1CCOCC1)NC(=O)c1ccc(C#N)[nH]1 1389333709 RVIZQSWUMASDAD-NSHDSACASA-N 319.365 -0.547 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C(=O)[C@H](NC(N)=O)C(C)(C)C)CC1 1396731220 ITTULAQIPCRAGK-MNOVXSKESA-N 323.397 -0.100 30 20 DBED CCCCS(=O)(=O)CC(=O)N[C@H](C)CNC(=O)[C@H](C)C#N 1397587999 PVRRDDSEFCQSGO-GHMZBOCLSA-N 317.411 -0.018 30 20 DBED CCN(C)C(=O)CN(CCO)C1CCN(C(=O)[C@@H](C)C#N)CC1 1397810570 HOLNMXOZTBXETD-ZDUSSCGKSA-N 324.425 -0.090 30 20 DBED COC[C@H]1CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)C1 1411814250 NHVYDOKCTGTAGD-JTQLQIEISA-N 306.322 -0.294 30 20 DBED CN(Cc1ccon1)C(=O)CCn1cc(C#N)c(O)nc1=O 1412576752 MCFPKHRLOSSNBJ-UHFFFAOYSA-N 303.278 -0.143 30 20 DBED CCN(CCNC(=O)[C@@H](C)C#N)C(=O)[C@H]1CCN(C)C(=O)C1 1415720548 NMICEURNEGYEBU-RYUDHWBXSA-N 308.382 -0.021 30 20 DBED Cc1cc(C(=O)NC[C@@]2(O)CCN(C(=O)[C@H](C)C#N)C2)n[nH]1 1417439549 JOILZQUAXGMJTF-OTYXRUKQSA-N 305.338 -0.429 30 20 DBED C[C@H](C#N)C(=O)N(C)CCN1CCN(Cc2ncnn2C)CC1 1420898343 JDLMSBOOEHAGTH-CYBMUJFWSA-N 319.413 -0.449 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCN1CCN(Cc2ncnn2C)CC1 1420898344 JDLMSBOOEHAGTH-ZDUSSCGKSA-N 319.413 -0.449 30 20 DBED COc1ncnc(OC)c1C(=O)N1CC(NC(=O)[C@@H](C)C#N)C1 1432333370 FFQBQCRYMWMZMY-QMMMGPOBSA-N 319.321 -0.406 30 20 DBED COCC1(NC(=O)CCn2cc(C#N)c(O)nc2=O)CCC1 1433975168 SGWUXUDJKFERIW-UHFFFAOYSA-N 306.322 -0.104 30 20 DBED CCN1CC[C@H](N(CCNC(=O)[C@H](C)C#N)CCOC)C1=O 1442174140 PMXQGSYERFRDHV-OLZOCXBDSA-N 310.398 -0.169 30 20 DBED COCCN(CCNC(=O)[C@@H]1COCCO1)C(=O)[C@@H](C)C#N 1452131192 ZYCHWOYSQUJQJC-RYUDHWBXSA-N 313.354 -0.847 30 20 DBED CCC(=O)NCC(=O)NC[C@@H]1CN(C(=O)[C@H](C)C#N)CCCO1 1512346985 TWJCENRCPAWOIZ-VXGBXAGGSA-N 324.381 -0.594 30 20 DBED CCCS(=O)(=O)CC(=O)NCC[C@@H](C)NC(=O)[C@@H](C)C#N 1527568451 IULJWMBNWWKXOF-WDEREUQCSA-N 317.411 -0.018 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nn[nH]n2)C1 1573585684 IEIBBOYKPILGMH-CIUDSAMLSA-N 313.325 -0.125 30 20 DBED C#C[C@@H](CO)NS(=O)(=O)c1ccc(C)cc1-c1nn[nH]n1 1588327881 SUYXEPUEPKRBHG-VIFPVBQESA-N 307.335 -0.552 30 20 DBED C#C[C@@H]1COCCN1S(=O)(=O)c1ccc(-c2nn[nH]n2)cn1 1588330546 FWGRVPHELBPWMF-SNVBAGLBSA-N 320.334 -0.716 30 20 DBED C[C@]1(C(=O)O)CCCN(C(=O)Cn2cc(C#N)c(O)nc2=O)C1 1593766094 FWQMGYUUFRENKS-AWEZNQCLSA-N 320.305 -0.466 30 20 DBED CO[C@]1(C(=O)O)CCN(S(=O)(=O)N(C)[C@@H](C)CC#N)C1 1599078271 GJWCXGHIBGSROX-GXSJLCMTSA-N 305.356 -0.359 30 20 DBED N#Cc1cc(F)cc(S(=O)(=O)N2CC[C@](O)(C(=O)O)C2)c1 1601089857 VYBBSTVAJXEHFP-GFCCVEGCSA-N 314.294 -0.093 30 20 DBED C#CCONC(=O)c1cc(-c2nn[nH]n2)c(SC)nc1O 1602731899 HAHYVIPYMBBPHS-UHFFFAOYSA-N 306.307 -0.016 30 20 DBED C=CCn1cc(C(=O)N2C[C@H](C(=O)O)CC[C@@H]2C(=O)OC)nn1 1602937842 KOROHPOIWZRFOM-MWLCHTKSSA-N 322.321 -0.058 30 20 DBED Cn1cc(C#N)c(NC(=O)[C@H]2CCCN(CC(=O)O)C2=O)n1 1605476800 FRDXSVOVVODIGI-SECBINFHSA-N 305.294 -0.447 30 20 DBED N#CC1(CC(=O)O[C@H]2CCN(CC(=O)O)C2=O)CCOCC1 1605575767 DWQJYJUUPSTMPK-JTQLQIEISA-N 310.306 -0.074 30 20 DBED N#CC[C@]1(O)CCN(S(=O)(=O)CC2(C(=O)O)CCC2)C1 1608182127 UXIPICLIHUNWOE-LBPRGKRZSA-N 302.352 -0.078 30 20 DBED C#CC[C@@H](NC(=O)CCNS(=O)(=O)c1ccccc1)C(=O)O 1609078945 PYELRVQUISAIIV-GFCCVEGCSA-N 324.358 -0.052 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(Cc2nnnn2C2CC2)C1 1665529508 SYQBMFJUICCFLK-LLVKDONJSA-N 306.370 -0.099 30 20 DBED C=CCN1CCN(CCNC(=O)CCS(C)(=O)=O)CC1 1752367632 RMMZEUVPNIYLJY-UHFFFAOYSA-N 303.428 -0.659 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@H]1C[C@H](NC(=O)Cc2n[nH]c(C)n2)C1 1752654122 SZXBSODEJPDCJL-YUSALJHKSA-N 320.397 -0.417 30 20 DBED Cc1nnccc1C(=O)N1CC[C@@H](CNCC(=O)NCC#N)C1 1752942413 BUIDBQIQICFJRZ-LBPRGKRZSA-N 316.365 -0.524 30 20 DBED C#CCN1CC[C@H](CNC(=O)CCC(=O)N2CCOCC2)C1 1753139091 UCZJIPAGAKIFBH-CQSZACIVSA-N 307.394 -0.303 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC(NC(=O)[C@H]2CCNC(=O)CC2)C1 1753382793 WDUAHQRFMIGWJS-VXGBXAGGSA-N 322.409 -0.606 30 20 DBED C#CCCN1CC[C@@H](N(C)C(=O)CCc2nnc(O)nc2O)C1 1753439292 FRZYWCBHWJAAOD-LLVKDONJSA-N 319.365 -0.229 30 20 DBED CCN(C(=O)c1ccon1)[C@H]1CCN(CC(=O)NCC#N)C1 1753452973 IWENLBZJAVNSBY-NSHDSACASA-N 305.338 -0.149 30 20 DBED C#CCNC(=O)[C@H](C)NCC[C@H](C)NC(=O)c1cccnn1 1754008765 PUVLWBBOBPOSFI-RYUDHWBXSA-N 303.366 -0.288 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@@H]1CNC(=O)CCc1ccon1 1754489008 OKFXENSWFSILIK-TZMCWYRMSA-N 318.377 -0.064 30 20 DBED COCCC[C@H](C)C(=O)N(C)C1CN(CC(=O)NCC#N)C1 1754584231 BRQRAJYSVZMSMS-LBPRGKRZSA-N 310.398 -0.169 30 20 DBED C=C(C)CNC[C@@H]1CCCN1C(=O)C[C@H](NC(C)=O)C(N)=O 1754617743 VNPBLPQOBOIIMA-STQMWFEESA-N 310.398 -0.477 30 20 DBED CCC(=O)N1CC[C@@H](C(=O)N2CCO[C@H](CNCC#N)C2)C1 1755011924 DSMZQOSJIBOYMZ-CHWSQXEVSA-N 308.382 -0.415 30 20 DBED C#CCNC(=O)CN(C)[C@H](C)CNC(=O)[C@H](NC(C)=O)C(C)C 1755322995 OYAPIRSCTAOJFH-IUODEOHRSA-N 324.425 -0.667 30 20 DBED C=CCNC(=O)CN(C)[C@@H](C)CNC(=O)[C@H]1CCCC(=O)N1C 1755324861 RKTVRECJVOYRJL-QWHCGFSZSA-N 324.425 -0.264 30 20 DBED C#CCN1CC(CCO)(NC(=O)[C@]23C[C@H]4C[C@@H](C(=O)N2)[C@H]3C4)C1 1755334213 WTIYTZDREBNBJE-SFDCBXKLSA-N 317.389 -0.913 30 20 DBED CN(CC#Cc1ccccc1)CCOCCNC(=O)CC(N)=O 1755539636 KNSXUJJAUHMXLV-UHFFFAOYSA-N 317.389 -0.022 30 20 DBED CN(C(=O)Cn1cccn1)[C@H](CNCC(=O)NCC#N)C1CC1 1755557553 QNEHADSQZMTLHK-CYBMUJFWSA-N 318.381 -0.651 30 20 DBED C#CCNC(=O)CN[C@H](C)CN(C)C(=O)c1c[nH]nc1CC 1755593597 BEWCRLVDRXAUNB-LLVKDONJSA-N 305.382 -0.228 30 20 DBED C#CCN[C@H](C)CN(C)C(=O)Cn1nc2n(c1=O)CCCC2 1755610135 KEZCFMWMERHMTG-GFCCVEGCSA-N 305.382 -0.549 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H](CO)CNC(=O)c1[nH]ccc1C 1755624975 BPNIYDBFAUVVIW-NEPJUHHUSA-N 306.366 -0.859 30 20 DBED CC#CCN[C@H]1C[C@@H](C)N(C(=O)CN(C)S(=O)(=O)CC)C1 1755688681 DVYJFMNSULIZHD-OLZOCXBDSA-N 315.439 -0.130 30 20 DBED N#CCNC(=O)CNC[C@@H]1CC[C@@H](NC(=O)c2cnco2)C1 1755740195 TVCPPVOYZHDRAK-GHMZBOCLSA-N 305.338 -0.198 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](C1CC1)N(C)C(=O)C(N)=O 1756420624 HBQOADDMHKPDLM-AVGNSLFASA-N 323.393 -0.194 30 20 DBED CC#CCCCC(=O)N[C@@H](CO)CNC(=O)[C@@H](C)NC(C)=O 1756504851 HLIJWFZLRDUGGZ-DGCLKSJQSA-N 311.382 -0.702 30 20 DBED C=CCOCC(=O)NC[C@@H](O)CN(C)C(=O)c1cc(F)c[nH]1 1756671493 YKLLEGPNSLCJIN-LLVKDONJSA-N 313.329 -0.095 30 20 DBED CCc1nc[nH]c1C(=O)N1C[C@@H](O)[C@H](NC(=O)C#CC(C)C)C1 1756993611 HVCLFGBIBJILDL-CHWSQXEVSA-N 318.377 -0.067 30 20 DBED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCNC(C)=O)C[C@@H]21 1790793510 LTOACVOVPCGKSK-IHRRRGAJSA-N 321.377 -0.875 30 20 DBED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)c2cnco2)C1 1841730890 VPJZWRJNFLPIIP-UHFFFAOYSA-N 303.274 -0.420 30 20 DBED O=C(C#CC1CC1)N1CC2(CCCN2C(=O)[C@@H]2C[C@H](O)CN2)C1 1845064878 OBDVRNBDNXKQBE-KBPBESRZSA-N 317.389 -0.674 30 20 DBED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)[C@H]1CC1(F)F)C2 1846195688 SKLADDHZGBLKIE-SECBINFHSA-N 312.272 -0.067 30 20 DBED N#Cc1cccnc1N1CCN(C(=O)CN2CCOCC2)CC1 58513119 AVRDFXLMZIWFMQ-UHFFFAOYSA-N 315.377 -0.066 30 20 DBED N#Cc1ccc(S(=O)(=O)N[C@@H](CO)C(=O)O)cc1Cl 126046058 ISARHGXGYUKYTF-VIFPVBQESA-N 304.711 -0.065 30 20 DBED C#CCNC(=O)CC(=O)N1CCN(c2nc(C)cc(C)n2)CC1 128376436 YHZOWBZBDRTCQX-UHFFFAOYSA-N 315.377 -0.118 30 20 DBED C#CCN1CCN(C(=O)CN2CCNC(=O)[C@@H]2CCC)CC1 152510181 FPLRQSJRHHNNHA-AWEZNQCLSA-N 306.410 -0.636 30 20 DBED C/N=C(/NCCN1CCCS1(=O)=O)NCc1ccco1 262160241 SLLAOFKBZDBVIS-UHFFFAOYSA-N 300.384 -0.020 30 20 DBED C[C@]1(C2CC2)NC(=O)N(CC(=O)N2CCO[C@H](C#N)C2)C1=O 264529769 ZSYJNFQFAUFNTK-QMTHXVAHSA-N 306.322 -0.542 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)C2(C#N)CCC2)CC1 265656929 OGEBKXZVUYJLEU-UHFFFAOYSA-N 302.378 -0.036 30 20 DBED CN1CC[C@@H](NC(=O)C(=O)N2CCc3ccc(C#N)cc32)C1=O 270257097 YJFVSTBPJVLCMI-GFCCVEGCSA-N 312.329 -0.206 30 20 DBED CC[C@]1(CO)CCCN(c2c(C#N)c(=O)n(C)c(=O)n2C)C1 274972702 AGGHQKDEXJJVJP-HNNXBMFYSA-N 306.366 -0.055 30 20 DBED CC#CCNC(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 276089770 VZEUTRIDFZTQED-UHFFFAOYSA-N 305.338 -0.113 30 20 DBED CNS(=O)(=O)c1ccc(CCC(=O)NCC#CCO)cc1 282970612 SDSMIBKPTHGJPZ-UHFFFAOYSA-N 310.375 -0.361 30 20 DBED C#CCN(CC#N)C(=O)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1 288170150 PLXFDKUCBUZRSG-QWHCGFSZSA-N 305.334 -0.622 30 20 DBED CN1CCC[C@]2(CCN(c3c(C#N)c(=O)n(C)c(=O)n3C)C2)C1 292833011 PVDQEBVLKYAGSY-INIZCTEOSA-N 317.393 -0.122 30 20 DBED COCCN(CCN(C)C)C(=O)C(=O)Nc1ccc(C#N)cn1 292977282 CRKSLOUCRHIGIE-UHFFFAOYSA-N 319.365 -0.072 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@@H](C(=O)OC)C[C@@H]1C(=O)OC 295805580 SWSVHLNCHIDVSK-IJLUTSLNSA-N 311.334 -0.022 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cnn(CC)c2)C1=O 299556210 RMLIKLLMCNYNKD-UHFFFAOYSA-N 305.294 -0.182 30 20 DBED C=C1CCN(C(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)CC1 329112121 RECKOPWVQHVSHK-UHFFFAOYSA-N 317.349 -0.388 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)NC[C@@H](C)CN1CCOCC1 330384424 KMCUZBCXSBQDER-CHWSQXEVSA-N 318.443 -0.119 30 20 DBED C[C@H]1COCCN1CC/N=C(/O)c1coc(S(N)(=O)=O)c1 330553135 YDELFKOUFKATJD-VIFPVBQESA-N 317.367 -0.048 30 20 DBED CN(CC#N)C(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1 330697073 CXKVSYOQVNZWLO-ZDUSSCGKSA-N 308.382 -0.318 30 20 DBED COC(=O)[C@@H](CO)NS(=O)(=O)CC1(C#N)CCCCC1 330884012 PHXFKINVJPRTBA-SNVBAGLBSA-N 304.368 -0.086 30 20 DBED CCOC(=O)[C@@](C)(O)CNS(=O)(=O)c1ccc(C#N)o1 344670494 KNJFYZVEFFNCTH-NSHDSACASA-N 302.308 -0.256 30 20 DBED N#Cc1ncn(CCNC(=O)N[C@@H]2CC(=O)N(C3CC3)C2)n1 345388378 XVCUITCKLAOXQW-SECBINFHSA-N 303.326 -0.788 30 20 DBED N#CCCN(CCC#N)C(=O)CN1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 353113520 SXPNOPXBXPTSMM-QWHCGFSZSA-N 324.406 -0.239 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)CCCC(=O)N(C)C)CC1 357800731 NJGHITWRUFBJFL-UHFFFAOYSA-N 324.425 -0.309 30 20 DBED N#CCNC(=O)CNC(=O)N1CCC[C@H](C(=O)NCC2CC2)C1 358318375 WOLIRYAJWQHMCO-LBPRGKRZSA-N 321.381 -0.426 30 20 DBED C[C@@H](c1ccccc1)[C@H](NC(=O)Cn1cnc(C#N)n1)C(N)=O 359239433 LAPIOTNFKBJRCP-HZMBPMFUSA-N 312.333 -0.076 30 20 DBED CNS(=O)(=O)[C@@H]1CCN([C@H](C)C(=O)N(C)CCC#N)C1 366709403 JDPRQOYAWJQRMN-GHMZBOCLSA-N 302.400 -0.630 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCSC[C@H]1C(N)=O 407951863 DGULIVDDLSSMON-IUCAKERBSA-N 306.413 -0.775 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N[C@]1(C)CCS(=O)(=O)C1 407977608 UARWPTNVYUNUKL-NXEZZACHSA-N 309.413 -0.368 30 20 DBED Cn1cnn(-c2ccc(NC(=O)C(=O)NCCC#N)cc2)c1=O 427903385 KLNHFKPWWSBYPG-UHFFFAOYSA-N 314.305 -0.461 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)Cc2cncc(O)c2)CC1 491536247 ITXOXSXUTJKCQG-UHFFFAOYSA-N 316.361 -0.777 30 20 DBED CCOC(=O)N[C@@H]1CCCN(C(=O)NCC(=O)NCC#N)C1 496144440 XVRGGBPPFRXHMF-SNVBAGLBSA-N 311.342 -0.454 30 20 DBED CC[C@@](C)(C#N)C(=O)N1CCC(NS(=O)(=O)NC)CC1 568048637 WHSDOWFVAQNJAT-LBPRGKRZSA-N 302.400 -0.029 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N[C@H]1CCN(S(C)(=O)=O)C1 577498176 MHVNBTHEFMTEBY-ZJUUUORDSA-N 324.428 -0.911 30 20 DBED CN(C)C1CN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1 578565715 JAJWLSUDNZVSON-UHFFFAOYSA-N 322.390 -0.391 30 20 DBED CC(C)[C@H](C#N)N1CCN(C(=O)CCn2ncn(C)c2=O)CC1 590201356 XJJRUJHTTPUPAL-ZDUSSCGKSA-N 320.397 -0.336 30 20 DBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC/C=C/CO 597994873 WZIZXJSTIVEORN-VUDBWIFFSA-N 323.374 -0.110 30 20 DBED CCOC(=O)C[C@@H](C(F)(F)F)S(=O)(=O)NCC#CCO 601456577 PNLZJMSAGJVZIP-QMMMGPOBSA-N 317.285 -0.214 30 20 DBED CN(CCNC(=O)NCCn1cnc(C#N)n1)CC(F)F 602313801 RGNWTMPKXALETR-UHFFFAOYSA-N 301.301 -0.354 30 20 DBED CC#CC[C@@H](CO)NC(=O)C(=O)N=c1ccn([C@H](C)COC)[nH]1 646951965 VATJTZVGIIMJCF-NEPJUHHUSA-N 322.365 -0.659 30 20 DBED N#Cc1ccc(O)c(NC(=O)Cn2cc(S(N)(=O)=O)cn2)c1 748410193 DFTBQPWYQPFGRW-UHFFFAOYSA-N 321.318 -0.254 30 20 DBED CCN(C[C@H](C)C#N)C(=O)CN1CCC(C(=O)NCCO)CC1 749676138 KLZXBFWAABRUNX-CYBMUJFWSA-N 324.425 -0.185 30 20 DBED CC(C)[C@H](C#N)N1CCN(C(=O)CN2C[C@@H]3C[C@]3(CO)C2)CC1 782625771 ZRWFQARVQSJGRF-YQQAZPJKSA-N 320.437 -0.007 30 20 DBED N#C[C@@H]1CN(C(=O)c2cc(S(N)(=O)=O)ccc2F)CCO1 798324049 LQFXXTNSEDSGGQ-MRVPVSSYSA-N 313.310 -0.162 30 20 DBED C=CCN1CC[C@@H](OC(=O)c2ccc(S(N)(=O)=O)o2)C1=O 798593734 VWTXZXWEFUCJNT-MRVPVSSYSA-N 314.319 -0.129 30 20 DBED N#CCNC(=O)CNC(=O)NC[C@H](O)c1c(F)cccc1F 807553354 PSGWTJRYNOQAPS-JTQLQIEISA-N 312.276 -0.063 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CCCS2)CC1 831564785 HICZKQZRTAUSIQ-LLVKDONJSA-N 317.436 -0.506 30 20 DBED CN(C)S(=O)(=O)c1cc(C(=O)N[C@@H]2CNC[C@H]2C#N)co1 834479724 HXYNLLCGMWVNKO-NXEZZACHSA-N 312.351 -0.629 30 20 DBED C=CCOCCNC(=O)NCCS(=O)(=O)N1CCCC1 894096077 VJESHQBHTIKLAB-UHFFFAOYSA-N 305.400 -0.086 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)CCNC(C)(C)C)CC1 931879900 QBZUVFBALNYTAM-UHFFFAOYSA-N 308.426 -0.342 30 20 DBED N#Cc1cc(C(=O)N[C@H]2CC[C@H](NC(=O)C(N)=O)CC2)c[nH]1 943683279 VKVFMBGHKXOYKV-MGCOHNPYSA-N 303.322 -0.471 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCCN1C(=O)CC(N)=O 943923746 RRXUHJUUXIGEHD-XUJVJEKNSA-N 323.393 -0.050 30 20 DBED O=C(NC[C@H]1CN(C(=O)C#CC2CC2)CCO1)c1cnns1 944496597 DIYHXOKZUAUVGX-NSHDSACASA-N 320.374 -0.091 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@H](CNC(=O)c2cn(C)cn2)C1 944550221 NCKGFLJXXKEJCL-WDEREUQCSA-N 305.338 -0.463 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@H](CNC(=O)c2ncccc2O)C1 944560382 JTFXXJBVDDIQRZ-GHMZBOCLSA-N 318.333 -0.096 30 20 DBED N#CCN1C[C@H]2CCN(C(=O)C[C@H]3CC(=O)NC3=O)CC[C@H]2C1 946915647 PNKLDWADBHHTHS-FRRDWIJNSA-N 318.377 -0.267 30 20 DBED C[C@H](C#N)C(=O)N1CCC(NC(=O)[C@]2(C)CCNC2=O)CC1 948095922 CQGSWZKHHBUWQE-MEBBXXQBSA-N 306.366 -0.221 30 20 DBED Cc1nn[nH]c1C(=O)N1CCOC2(CCN(CC#N)CC2)C1 949156519 OPWKWPFDXYSXAF-UHFFFAOYSA-N 304.354 -0.056 30 20 DBED COc1cncc(C(=O)N(C)C2CN(C(=O)[C@@H](C)C#N)C2)n1 954273018 WOKGHGZBKFMTLY-VIFPVBQESA-N 303.322 -0.072 30 20 DBED C[C@H](C#N)C(=O)N1CC(N(C)C(=O)[C@@]2(C)CCNC(=O)C2)C1 954653559 QWBKHZDNARQFEZ-BMIGLBTASA-N 306.366 -0.268 30 20 DBED C[C@@H](C(=O)N(C)C1CN(C(=O)[C@H](C)C#N)C1)N1CCOCC1 954735623 CBOYKMRDYZGDEP-NEPJUHHUSA-N 308.382 -0.464 30 20 DBED C#CCCN1C[C@H](CNC(=O)c2cnc(N(C)C)cn2)[C@@H](O)C1 958070197 YBIZAQZXZSNOTH-JSGCOSHPSA-N 317.393 -0.412 30 20 DBED C=CCN1C[C@@H](O)[C@H](CNC(=O)c2ccnc3ccnn23)C1 958135553 PCWPQLPWBZDUIV-DGCLKSJQSA-N 301.350 -0.062 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2cn(CCC=C)nn2)C1 958477109 UPOFFYDDJHMTQN-OCCSQVGLSA-N 303.366 -0.490 30 20 DBED C=CCN1C[C@@H](O)[C@@H](CNC(=O)c2nc3nccc(C)n3n2)C1 958644387 JIGZRQSMFCQIKQ-NWDGAFQWSA-N 316.365 -0.359 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H]2CN(C(=O)c3cncnc3)C[C@@H]21 960879978 GUOAOHHJZFCDBF-KGYLQXTDSA-N 315.333 -0.312 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CN(C(=O)CN3CCCC3)CCO2)C1 965387715 MQKPETGJGGUFNV-ZDUSSCGKSA-N 320.393 -0.318 30 20 DBED N#Cc1cc(C(=O)N2CC[C@@H](N[C@H]3CCC(=O)NC3=O)C2)c[nH]1 968448214 YTZHCDODIOVHGR-PWSUYJOCSA-N 315.333 -0.504 30 20 DBED C=CCN1CC[C@H](N[C@@H]2CCN(C(=O)c3ncn(C)n3)C2)C1=O 968583768 QZWPWDQWGJHSDK-NEPJUHHUSA-N 318.381 -0.594 30 20 DBED C[C@@H]1CCN(CC#N)C[C@H]1NC(=O)c1cn(C)c(=O)nc1O 968638810 CDIUPQXAXBZHOT-MWLCHTKSSA-N 305.338 -0.550 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@H](NC(=O)[C@H]2CCC(=O)NC2)C1 968674562 RRTGDZBYYCAPTQ-TUAOUCFPSA-N 323.393 -0.587 30 20 DBED C#Cc1ccc(C(=O)N[C@@H](C)C2CN(CC(=O)NC)C2)cn1 970767961 ZTKWMOIQDXTHLW-NSHDSACASA-N 300.362 -0.141 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)[C@]3(C)CCNC(=O)C3)C2)C1 972432097 YEWXAUGAIBVFLS-IAGOWNOFSA-N 319.405 -0.161 30 20 DBED C#CCCN1CCO[C@]2(CCN(C(=O)[C@@H]3CCC(=O)N3C)C2)C1 972501904 JELOGPOUJZTOND-WMLDXEAASA-N 319.405 -0.066 30 20 DBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1C[C@H](NC(=O)C(N)=O)C1 979843361 XLBIGZSADJDCOW-CYDGBPFRSA-N 323.393 -0.146 30 20 DBED N#CCN1C[C@H]2C[C@H](NC(=O)CN3C(=O)CCC3=O)CC[C@H]2C1 980248367 UEUHECZLMQCGQT-YNEHKIRRSA-N 318.377 -0.124 30 20 DBED CC[C@@H]1[C@@H](NC(=O)C(N)=O)CCN1C(=O)c1c[nH]c(C#N)c1 985369351 JSMGHDOVQVKXLG-WDEREUQCSA-N 303.322 -0.519 30 20 DBED C#CCN(C)C1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)CC1 985701602 DBPUJGRAYZSJSL-UHFFFAOYSA-N 318.377 -0.517 30 20 DBED C=CC(C)(C)C(=O)N1CC(NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 991827636 UDZGLTXQWRSMGP-JTQLQIEISA-N 315.395 -0.783 30 20 DBED Cn1cc(C(=O)N[C@]23CCC[C@@H]2N(CC#N)CC3)c(O)nc1=O 992496947 OVOSXTMNMKWRIA-NHYWBVRUSA-N 317.349 -0.264 30 20 DBED C#CCN1CCC[C@@H](NC(=O)c2cn(C)c(=O)nc2O)[C@@H]1C 994415678 OPAIFZMRCWDLAT-CMPLNLGQSA-N 304.350 -0.298 30 20 DBED O=C1Cc2c(C(=O)NC3CN(C(=O)C#CC4CC4)C3)ccnc2N1 996354007 IQHGOESRGBCJKM-UHFFFAOYSA-N 324.340 -0.070 30 20 DBED CC1(C)CN(C(=O)c2cnn3c(=O)cc[nH]c23)C[C@H]1NCC#N 996390434 UPYBPWGPWFXRLJ-LLVKDONJSA-N 314.349 -0.014 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCNC(=O)CCN(C(C)=O)CC1 1001704466 FYVNBRWHGCJUFL-KGLIPLIRSA-N 323.393 -0.226 30 20 DBED C=CCCn1cc(C(=O)NC2CCN(CC(N)=O)CC2)nn1 1003766702 QAUTZXJYOXDPCR-UHFFFAOYSA-N 306.370 -0.466 30 20 DBED C#Cc1cncc(C(=O)NCC2CN(C(=O)Cc3nc[nH]n3)C2)c1 1004199198 MPTXIGSQSHWUCZ-UHFFFAOYSA-N 324.344 -0.388 30 20 DBED Cc1c(C(=O)NCC2[C@@H]3CN(C(=O)[C@H](C)C#N)C[C@@H]23)nnn1C 1008920883 ZDDJJTFLWDTGTN-ZHAHWJHGSA-N 316.365 -0.283 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H]2[C@H](CNC(=O)[C@@H]3CNC(=O)N3)[C@H]2C1 1009446837 SEFZPJXFBDDORV-YFKTTZPYSA-N 320.393 -0.299 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C(=O)[C@H]2CCCC(=O)N2C)CC1 1011997487 CXKSQQHDJJYBBH-NWDGAFQWSA-N 306.366 -0.172 30 20 DBED N#CCN1CCC2(CC1)C[C@@H]2NC(=O)CN1CCCNC1=O 1016706011 CIZJGAYBPPHPTH-LBPRGKRZSA-N 305.382 -0.104 30 20 DBED O=C(N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O)c1ccnc(F)c1 1023167184 RRPFMYASGSQPNH-CHWSQXEVSA-N 317.320 -0.064 30 20 DBED Cc1nc[nH]c1CC(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1O 1024956485 FTJPZHRMQZGLDY-XXILOJSOSA-N 305.338 -0.892 30 20 DBED CCCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2O)nn1 1025406233 HKZSYVJHKUXLOH-HOSYDEDBSA-N 320.353 -0.851 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2CCN([C@H](C)C(=O)NC)C2)nn1 1028852467 JNZNJDCZWWKSAX-NEPJUHHUSA-N 320.397 -0.350 30 20 DBED C#Cc1cncc(C(=O)NC2CN([C@H](C)C(=O)N(C)C)C2)c1 1030928478 VJVJUBCMEGEAAU-LLVKDONJSA-N 300.362 -0.046 30 20 DBED CO[C@H]1C[C@H](C(=O)N(C)[C@@H]2CCN(CC#N)C2)N(C(C)=O)C1 1033291805 AIHWVNUNPLIFOQ-HZSPNIEDSA-N 308.382 -0.322 30 20 DBED N#CCN[C@H]1CC[C@H](NC(=O)CN2CCCS2(=O)=O)CC1 1034659237 QHDOMZOBABIGPP-HAQNSBGRSA-N 314.411 -0.438 30 20 DBED C=CCCN1CCO[C@@H](CNC(=O)[C@@H]2CCS(=O)(=O)N2)C1 1035614238 PBTGRSWUUSIROI-RYUDHWBXSA-N 317.411 -0.929 30 20 DBED C=CCCn1cc(C(=O)NC[C@H]2CCN2[C@H](CC)C(N)=O)nn1 1038790174 OQSKQEJFLGJRAO-DGCLKSJQSA-N 320.397 -0.078 30 20 DBED C=CCn1cc(C(=O)NC[C@@]2(O)CCN(C(=O)C3CC3)C2)nn1 1039753264 NLXRVJIZHJGGCE-HNNXBMFYSA-N 319.365 -0.433 30 20 DBED Cc1cc(C(=O)NCC2(O)CN(C(=O)C#CC3CC3)C2)no1 1041369352 ZOPCVAINEMNIPJ-UHFFFAOYSA-N 303.318 -0.300 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)c2cccn2C)C1 1041508472 JKDPWCWHMFUEQA-GFCCVEGCSA-N 319.361 -0.634 30 20 DBED C[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1NC(=O)c1ncn(C)n1 1041852574 ZPOMWOFLXAKYKO-MWLCHTKSSA-N 312.337 -0.269 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)[C@H](OC)C(C)C)C1 1042046791 AKHIORQRAMHNKK-CYBMUJFWSA-N 314.382 -0.451 30 20 DBED C=CCN1CC[C@H]2CCN(C(=O)CN3C(=O)CN(C)C3=O)C[C@H]21 1042346178 PPNGUWJVIMLDBJ-QWHCGFSZSA-N 320.393 -0.011 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)c2cncnc2O)C1 1042940966 HSXPODVXJOARGV-UHFFFAOYSA-N 318.333 -0.855 30 20 DBED C=C(C)CCC(=O)NCC1(O)CN(C(=O)c2nnn(C)c2C)C1 1043310210 BYYDZQGASLACCC-UHFFFAOYSA-N 321.381 -0.217 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)[C@@H](C2CC2)N(C)C)C1 1043461742 FXBMNNITYVPGEP-OAHLLOKOSA-N 321.421 -0.180 30 20 DBED C=C[C@](C)(CCOC)C(=O)NCC1(O)CN(C(=O)COC)C1 1044068115 OZBQAVVXBTWWSM-CQSZACIVSA-N 314.382 -0.449 30 20 DBED CC#CCCCC(=O)NCC1(O)CN(C(=O)c2[nH]nnc2C)C1 1045006711 FNFQJJMKXKCAIY-UHFFFAOYSA-N 319.365 -0.390 30 20 DBED C=C[C@H](CC)CC(=O)NCC1(O)CN(C(=O)c2nc[nH]n2)C1 1045069062 OCJDGNIMDQBSKU-SNVBAGLBSA-N 307.354 -0.290 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)CCc2ccncc2)C1 1045564967 PCARGSFNSUXHHG-LBPRGKRZSA-N 316.361 -0.137 30 20 DBED C#CCN1CCC(C)(NC(=O)[C@H]2CCN(C)S2(=O)=O)CC1 1045586083 HLLCFAKQXVRFFG-GFCCVEGCSA-N 313.423 -0.376 30 20 DBED C=CCN1CC[C@@H](N2CCN(C(=O)[C@@]3(C)CCNC3=O)CC2)C1 1046062446 UYJFEARGNGBBJH-PBHICJAKSA-N 320.437 -0.083 30 20 DBED C#CCN1CCC(C(=O)N[C@]2(C)CCN([C@H](C)C(N)=O)C2)CC1 1046850631 YYBBTTUMFZNKBK-CXAGYDPISA-N 320.437 -0.214 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3ncn(C)c3n2)C1 1047525777 TYTHVEJTDHGGFL-KBPBESRZSA-N 313.361 -0.281 30 20 DBED CC(=O)NC1CCC(C(=O)N(C)[C@H]2CN(CC#N)C[C@@H]2O)CC1 1047649030 KIMVKGPAJOFAJB-WUCCLRPBSA-N 322.409 -0.292 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)N1C[C@H](O)[C@@H](N(C)C(C)=O)C1 1047967112 LPKZGJJPYWYMTN-IHRRRGAJSA-N 311.382 -0.493 30 20 DBED CN(C(=O)C#CC1CC1)[C@H]1CN(C(=O)Cn2ccnc2)C[C@@H]1O 1048828782 YHYAMHLFRCMSCP-KBPBESRZSA-N 316.361 -0.673 30 20 DBED C=C(C)CN1C[C@H]2CN(C(=O)CCn3ncn(C)c3=O)C[C@H]2C1 1048957244 GYQBWFLNLALMPD-OKILXGFUSA-N 319.409 -0.062 30 20 DBED Cc1cc(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)C#N)C2)no1 1049388693 OSFJCHXIJIHOHX-ZHAHWJHGSA-N 306.322 -0.214 30 20 DBED C#CCCCC(=O)N[C@H](C)[C@H]1CCN(C(=O)Cn2cnnn2)C1 1049969348 RIUQCDYJUQXIML-OLZOCXBDSA-N 318.381 -0.170 30 20 DBED C=CCOCCCC(=O)N1CC[C@@H]([C@H](C)NC(=O)C(N)=O)C1 1050404187 NUDWDIAXARJIIO-NWDGAFQWSA-N 311.382 -0.192 30 20 DBED C=CCCN1CCOC[C@@H]1CNC(=O)C1CC(=O)NC(=O)C1 1051163329 DDEBKIQMMQBEIH-LBPRGKRZSA-N 309.366 -0.568 30 20 DBED CC#CCN1CCOC[C@H]1CNC(=O)[C@@H]1CCc2nn[nH]c2C1 1051210015 RHXKTZDQKWAHBC-CHWSQXEVSA-N 317.393 -0.250 30 20 DBED C=C(C)CN1CCN([C@@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)C2)CC1 1052072983 DVYKOGBNJKKPMU-KGLIPLIRSA-N 321.425 -0.538 30 20 DBED C#CCC1(C(=O)N2C[C@@H](C)[C@@H](CNC(=O)C(N)=O)C2)CCC1 1052747898 RBGFSNRFRZTEHJ-NEPJUHHUSA-N 305.378 -0.124 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)Cc1cncnc1)CCO2 1053237789 VMEPHEYSXMDUAY-UHFFFAOYSA-N 300.362 -0.044 30 20 DBED C#CCN1CC2(C1)CN(C(=O)[C@H]1CCN(C)C(=O)C1)CCO2 1053313927 HSPKUUBRDZSRCD-ZDUSSCGKSA-N 305.378 -0.599 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)[C@H]1CC[C@@H](C(N)=O)C1)CCO2 1053433638 DEHRNSQFJDUOAR-KGLIPLIRSA-N 319.405 -0.176 30 20 DBED CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]1CCC2(CN(CC#N)C2)O1 1053660755 OPMUHXBDJMCMMI-FRRDWIJNSA-N 320.393 -0.416 30 20 DBED CCn1cc(C(=O)NC2[C@@H]3CN(c4ccnc(C#N)n4)C[C@@H]23)nn1 1056283268 PDVVDUGSVHTZEE-NXEZZACHSA-N 324.348 -0.176 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)c1c[nH]c(C(N)=O)c1 1057172949 ZEEJEXREBXADAG-UHFFFAOYSA-N 322.365 -0.370 30 20 DBED CC(C)N1CCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N 1057587322 CWAVNCQUFZVCNL-KBPBESRZSA-N 324.425 -0.044 30 20 DBED Cc1nccc(C(=O)N(CCO)CCNC(=O)C#CC(C)C)n1 1057655073 YHYNZFSXNLEUAS-UHFFFAOYSA-N 318.377 -0.005 30 20 DBED C=CC(C)(C)C(=O)NCCN(CCO)C(=O)c1cnnc(O)c1 1057887021 WGTOPPVGHRKZII-UHFFFAOYSA-N 322.365 -0.055 30 20 DBED C#CCCCCC(=O)NCCN(CCO)C(=O)[C@H]1CCNC1=O 1058297051 WUVAVHKGMVECNZ-ZDUSSCGKSA-N 323.393 -0.747 30 20 DBED CN1CCOC[C@@H]1C(=O)N[C@@H]1CCN(c2ccncc2C#N)C1 1058319067 MFOBJGKYBFFSGW-UKRRQHHQSA-N 315.377 -0.021 30 20 DBED CC(C)C#CC(=O)NCC[C@@H]1CCN(C(=O)CNC(N)=O)C1 1059117689 ZFOUGXDLYMXAPZ-GFCCVEGCSA-N 308.382 -0.331 30 20 DBED CN1C[C@H](C(=O)N[C@H]2C[C@@H](Nc3cncc(C#N)n3)C2)NC1=O 1059783223 JYVRTNZNNKBAHF-WCABBAIRSA-N 315.337 -0.569 30 20 DBED N#Cc1nc(=NC[C@@H]2CCN(C(=O)[C@@H]3CCNC3=O)C2)cc[nH]1 1060952482 DCZGQKOLWPHHRK-WDEREUQCSA-N 314.349 -0.833 30 20 DBED N#Cc1ccc(N2CC[C@H](CNC(=O)[C@H]3COCCO3)C2)nn1 1061525104 IOIIBBNSVYTUNU-DGCLKSJQSA-N 317.349 -0.294 30 20 DBED N#Cc1nccc(N2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CCNC2=O)n1 1062556087 TXQXTIKIXUZSHI-GARJFASQSA-N 312.333 -0.726 30 20 DBED CCn1ncc(C(=O)N[C@@H]2[C@H]3C[C@H]2N(c2ccc(C#N)nn2)C3)n1 1064246230 KRDGPJKSMCFVHW-MRCXROJRSA-N 324.348 -0.033 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H]1CN(C(=O)CCOC)CCO1 1064723522 FFBPHDUJGGHZLB-CHWSQXEVSA-N 312.366 -0.595 30 20 DBED C=CCCOCC(=O)NC[C@H]1CN(C(=O)CCOC)CCO1 1064736097 PXVWVMPDDOOUCZ-ZDUSSCGKSA-N 314.382 -0.041 30 20 DBED C=CCCC(=O)N1CCO[C@@H](CNC(=O)[C@H]2CCC(=O)NC2)C1 1064959808 NWCBGQOQAVELQU-STQMWFEESA-N 323.393 -0.178 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)c2cnnn2C)CCO1 1065108114 OTRPCZZMLRVZMP-GFCCVEGCSA-N 319.365 -0.424 30 20 DBED Cc1nccc(C(=O)N2CCO[C@@H](CNC(=O)[C@H](C)C#N)C2)n1 1065176067 KWDMTICOKDJEFP-PWSUYJOCSA-N 317.349 -0.098 30 20 DBED C=CCCOCC(=O)N1CCO[C@H](CNC(=O)CCOC)C1 1065278570 LGLCNEBSVYJMDJ-CYBMUJFWSA-N 314.382 -0.041 30 20 DBED C[C@@]1(NC(=O)[C@H]2CNC(=O)N2)CCN(c2ncccc2C#N)C1 1065326864 SHTSVSBVXRHIEF-IAQYHMDHSA-N 314.349 -0.280 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2C)CCO1 1065473460 MMINEELVYAPBKI-OLZOCXBDSA-N 323.393 -0.083 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)C(=O)NCC2CC2)C1 1065555841 ALTFOFJVBSILFF-PWSUYJOCSA-N 322.365 -0.984 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@H](CNC(=O)Cc2ccnn2C)C1 1065556897 KWHOFDROLRECQC-WCQYABFASA-N 319.365 -0.534 30 20 DBED N#Cc1nccc(N2CCOC[C@H]2CNC(=O)c2nc[nH]n2)n1 1066496180 YFHJEEGIQZIBCO-SECBINFHSA-N 314.309 -0.898 30 20 DBED N#Cc1cncc(N2C[C@H](CNC(=O)c3cn[nH]c3)[C@@H](O)C2)n1 1067651559 NGQVILKZWQSMBA-JQWIXIFHSA-N 313.321 -0.702 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCC[C@]2(CCN(C(=O)C(N)=O)C2)C1 1069742409 CMRYXGAMTLLJES-HOTGVXAUSA-N 323.393 -0.360 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)C2CCC(O)CC2)C1 1069916398 UYMSYDUKZBYPIL-CVSAEHQPSA-N 317.393 -0.196 30 20 DBED CC(=O)N(C)CC(=O)NC1(CNC(=O)[C@@H](C)C#N)CCOCC1 1070000440 VZKKCCAJNSWVNK-NSHDSACASA-N 324.381 -0.594 30 20 DBED C=CCN[C@@H]1CN(C(=O)c2n[nH]cc2F)C[C@@H]1n1ccnn1 1070269799 XPUURXDOBCBNPR-MNOVXSKESA-N 305.317 -0.018 30 20 DBED N#CCN[C@@H]1CN(C(=O)C23CCN(CC2)C3)C[C@@H]1n1ccnn1 1070311030 KCLCZYWHQJBZAA-OLZOCXBDSA-N 315.381 -0.761 30 20 DBED C[C@]1(C(=O)N2CCC(=O)NCCN(CC#N)CC2)CCOC1 1071011659 OEQSLNBQKPSBRD-HNNXBMFYSA-N 308.382 -0.413 30 20 DBED C=CCOCC(=O)N1C[C@@H](NC(=O)C(=O)NCC2CC2)[C@H](C)C1 1071808306 GOFOFMTYCGKTKG-DGCLKSJQSA-N 323.393 -0.322 30 20 DBED C=CCCOCC(=O)N1C[C@H](C)[C@@H](NC(=O)C2(C(N)=O)CC2)C1 1072335691 FXNNHBXLHBVGFC-RYUDHWBXSA-N 323.393 -0.192 30 20 DBED C#Cc1ccc(C(=O)N2C[C@@H](NC(=O)CC(N)=O)[C@H](C)C2)cn1 1072468355 SXGZMGOAXXXZBQ-ZWNOBZJWSA-N 314.345 -0.485 30 20 DBED C[C@@H]1CN(C(=O)C(=O)NCC2CC2)C[C@@H]1NC(=O)C#CC1CC1 1072611091 LJUIQORWPHQDED-RISCZKNCSA-N 317.389 -0.111 30 20 DBED C=CCOCC(=O)N1CC[C@H](NC(=O)CC(N)=O)C(C)(C)C1 1073353528 WYLCTMQECMKCIP-NSHDSACASA-N 311.382 -0.192 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)c2cncc(OC)n2)C1 1073804351 JNVSIPYQHQPBAC-GFCCVEGCSA-N 304.350 -0.061 30 20 DBED C=CCn1cc(C(=O)N2CC[C@@H]3OCCN(CC#N)[C@H]3C2)nn1 1074352989 AFLDHGHUFXEVMQ-KBPBESRZSA-N 316.365 -0.097 30 20 DBED Cn1cc(C(=O)N2CC[C@H]3OCCN(CC#N)[C@H]3C2)n(C)c1=O 1074415278 NXXTXZKAWJXFIF-WCQYABFASA-N 319.365 -0.837 30 20 DBED CC#CCN1C[C@@H]2CCN(C(=O)c3cc(=O)n(C)cn3)[C@@H]2C1 1075900958 HSEVDENYEZKTTE-GXTWGEPZSA-N 300.362 -0.050 30 20 DBED C[C@H](C#N)C(=O)NC1(CO)CCN(C(=O)c2cnsn2)CC1 1080980061 IUGVCPALWRSMPK-SECBINFHSA-N 323.378 -0.219 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2cncnc2O)C1 1081567018 PPFGBTGKLCWKHT-ZYHUDNBSSA-N 320.349 -0.303 30 20 DBED CCN(C)CCC(=O)NC[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 1081774580 QUKDJLJTBFNZCT-GJZGRUSLSA-N 321.421 -0.323 30 20 DBED Cc1noc(CN2C[C@H]3[C@@H](C2)OCCN3C(=O)[C@H](C)C#N)n1 1083026050 MGHWUVFBXTYMHL-ADEWGFFLSA-N 305.338 -0.051 30 20 DBED CC1CCN(C(=O)C(=O)N2CCO[C@@H]3CN(CC#N)C[C@@H]32)CC1 1083216281 RHUCDBNJDIDLAF-UONOGXRCSA-N 320.393 -0.320 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)c2cn(CC3CC3)nn2)C1 1083898977 LNDDSULWPKNQJA-OCCSQVGLSA-N 303.366 -0.514 30 20 DBED Cn1cc([C@@H]2CN(C(=O)c3ccnnc3)C[C@H]2NCC#N)cn1 1086998750 CHAXCCZTLBTSOD-UONOGXRCSA-N 311.349 -0.069 30 20 DBED C=C(C)CN1CC[C@@H]2CN(C(=O)C[C@@H]3NC(=O)NC3=O)C[C@@H]2C1 1087997643 QQSKXOCUPUCYGC-AGIUHOORSA-N 320.393 -0.059 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2cnc(C)nc2OC)[C@@H](O)C1 1090311644 WJESFNWLOIVFAE-KBPBESRZSA-N 318.377 -0.018 30 20 DBED CC#CCN1CC[C@H](NC(=O)Cn2nc(C)ccc2=O)[C@H](O)C1 1090747288 ICKXLUQLFHFEFB-UONOGXRCSA-N 318.377 -0.874 30 20 DBED C#CCN1CCC(C(=O)N[C@@H]2CCN(CC#CC)C[C@H]2O)CC1 1090830016 HSMYYVQIDHXPRF-IAGOWNOFSA-N 317.433 -0.094 30 20 DBED CCOc1cnc(C(=O)N[C@H]2CCN(CC#N)C[C@H]2O)cn1 1090856024 VCPUHHBHLOSJSN-CMPLNLGQSA-N 305.338 -0.436 30 20 DBED COc1ccnc(N2C[C@@H](NC(=O)[C@H](C)C#N)[C@H](OC)C2)n1 1090865838 ZROUHXXFRGPRKI-GMTAPVOTSA-N 305.338 -0.035 30 20 DBED C[C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1Nc1cncc(C#N)n1 1090954864 FSEGBYJJUSGZRC-PSASIEDQSA-N 303.326 -0.725 30 20 DBED CC(C)[C@@H](O)C(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1091091223 AENKXAPFJXOKPI-NTZNESFSSA-N 305.338 -0.969 30 20 DBED COCC1(C(=O)N[C@@H]2CN(c3ccc(C#N)nn3)C[C@@H]2O)CC1 1091162073 PAAJYNVPEVYUJX-NEPJUHHUSA-N 317.349 -0.559 30 20 DBED CC(=O)N1CCOC[C@H]1C(=O)NC[C@@H]1CN(CC#N)C[C@H]1C 1093211644 XZYRMTDMHFJZFG-BNOWGMLFSA-N 308.382 -0.559 30 20 DBED CC(=O)NCC(=O)NC1[C@@H]2CN(c3cncc(C#N)n3)C[C@@H]12 1093216123 WIYLDEHXYSRSFS-GHMZBOCLSA-N 300.322 -0.965 30 20 DBED COC(=O)NCC(=O)NC1[C@@H]2CN(c3ccc(C#N)nn3)C[C@@H]12 1093239913 OTRWOGGJNUAWRQ-NXEZZACHSA-N 316.321 -0.745 30 20 DBED N#Cc1cccnc1N1C[C@@H]2C(NC(=O)CCNC(N)=O)[C@H]2C1 1093266735 CDJLPAZFKXJFLV-QWRGUYRKSA-N 314.349 -0.438 30 20 DBED CN(CCCNC(=O)c1cnnn1C)c1cnc(C#N)cn1 1095537282 GRLUTMSVYPPULY-UHFFFAOYSA-N 300.326 -0.267 30 20 DBED CNC(=O)NCC(=O)N[C@H]1CCCN(c2ccc(C#N)nc2)C1 1096240516 YXBMEZLTCZTDER-LBPRGKRZSA-N 316.365 -0.033 30 20 DBED COC(=O)NCC(=O)N[C@H]1CCN(c2nc(C)cc(C#N)n2)C1 1096324711 KTRYRLGRRAXESN-JTQLQIEISA-N 318.337 -0.292 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1C[C@@H](Nc2cc(C)ncn2)C1 1097175525 AGEYNSAVZPPIQR-TXEJJXNPSA-N 301.350 -0.016 30 20 DBED C[C@H](C(=O)N[C@H]1C[C@@H](Nc2ccc(C#N)nn2)C1)S(C)(=O)=O 1097264829 JLBHFPZQMLRVAL-IEBDPFPHSA-N 323.378 -0.160 30 20 DBED Cc1cc(=N[C@H](C)CCNC(=O)Cn2cnnn2)c(C#N)c[nH]1 1098818100 WQUKLPOOVZTBFU-SNVBAGLBSA-N 314.353 -0.323 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)CNC(=O)OC)[C@H](O)C1 1099704779 QOXYJLIZRSTPNQ-NWDGAFQWSA-N 315.370 -0.904 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCN(C/C=C\Cl)C[C@H]1O 1099788772 IMKDOJUAQBITEO-USKJLILSSA-N 313.785 -0.570 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CCCC(=O)N(C)C)[C@@H](O)C1 1100078101 DAHDAIYUHYQHFC-KGLIPLIRSA-N 309.410 -0.180 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)[C@@H](C)NC(C)=O)c3nccn32)C1 1101603735 DETNBOZILGLTKI-DGCLKSJQSA-N 315.377 -0.387 30 20 DBED C=CCN1CC2(C[C@H](NC(=O)CS(C)(=O)=O)c3nccn32)C1 1101612285 TUNPKHXATJVVOC-NSHDSACASA-N 324.406 -0.314 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)C(C)(C)C(N)=O)c3nccn32)C1 1101632536 KOYCACSXOFJJJT-LLVKDONJSA-N 315.377 -0.400 30 20 DBED CC[C@@H](CNC(=O)[C@@H]1CCNC1=O)N=c1cc[nH]cc1C#N 1103260059 YZKVKKNAWQKLTQ-NWDGAFQWSA-N 301.350 -0.182 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)[C@@]1(C)CNC(=O)C1 1104139395 FUWLWRVWZHRNJO-ZUZCIYMTSA-N 316.365 -0.539 30 20 DBED C[C@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)CNc1cnc(C#N)cn1 1104177217 OZAVTMCYGHYPHC-ONGXEEELSA-N 317.353 -0.464 30 20 DBED C=CCCC(=O)N1CC(n2cc(CNCC(=O)NCC)nn2)C1 1105185661 PEIKUSPNQAKMCM-UHFFFAOYSA-N 320.397 -0.147 30 20 DBED N#CCNCc1cn(C2CN(C(=O)CCc3ncc[nH]3)C2)nn1 1105224056 VSERXWYNDGNPHT-UHFFFAOYSA-N 314.353 -0.370 30 20 DBED CCOCCC(=O)NC[C@H](O)CN=c1cc(C)[nH]cc1C#N 1105743852 GPKCFBUJMBYNGM-CYBMUJFWSA-N 306.366 -0.001 30 20 DBED COCCO[C@@H](C)C(=O)NC[C@H](O)CNc1cnc(C#N)cn1 1105963446 QINCCXFDLPCJFG-CMPLNLGQSA-N 323.353 -0.711 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)C[C@@H]2NC(=O)NC2=O)C[C@H]1C 1106266315 CDFGXENMEVQGPV-UTUOFQBUSA-N 306.366 -0.708 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)CN2C(=O)CCC2=O)C[C@H]1C 1106963194 GBLUNNAPQDYGDQ-CHWSQXEVSA-N 305.378 -0.157 30 20 DBED N#Cc1cncc(NC/C=C/CNC(=O)[C@@H]2CCNC(=O)C2)n1 1107122826 YRXQFSQXJAKNKQ-FMBMQGQPSA-N 314.349 -0.041 30 20 DBED CS(=O)(=O)CCC(=O)NC/C=C/CN=c1cc[nH]cc1C#N 1107576063 HHSOZIHKGAQUAE-NSCUHMNNSA-N 322.390 -0.106 30 20 DBED C[C@H](CNc1ccc2nnnn2n1)NC(=O)c1c[nH]c(C#N)c1 1107696079 XWXGHRZHTOCBCM-MRVPVSSYSA-N 311.309 -0.051 30 20 DBED C[C@@]1(CNC(=O)CNC(=O)c2ccco2)CN(CC#N)CCO1 1108378526 JFQJUPXTRBLVHJ-OAHLLOKOSA-N 320.349 -0.260 30 20 DBED COCC#CCN1CCO[C@](C)(CNC(=O)c2ccn(C)n2)C1 1108397090 NURCPUSTPCKGBG-MRXNPFEDSA-N 320.393 -0.109 30 20 DBED C[C@@H](CNc1nccnc1C#N)NC(=O)CCN1CCOCC1 1108442583 WVXKLZHDRNOGQZ-LBPRGKRZSA-N 318.381 -0.013 30 20 DBED C=CCCC(=O)N[C@H]1CC(=O)N(C2CN([C@@H](C)C(N)=O)C2)C1 1108517653 LCEAWNNTMFZKOA-QWRGUYRKSA-N 308.382 -0.772 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1 1108538666 LIQSUFLERQFFRZ-NHYWBVRUSA-N 306.366 -0.762 30 20 DBED CC(C)(C)C#CC(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1 1108544673 IAABNBLGBNFVGN-GFCCVEGCSA-N 302.378 -0.039 30 20 DBED C[C@H](CN(C)c1ccc(C#N)cn1)NC(=O)CCNC(N)=O 1108961856 OUHZDTUASVPMSS-SNVBAGLBSA-N 304.354 -0.047 30 20 DBED CN(CCCN=c1cc[nH]c(C#N)n1)C(=O)CS(C)(=O)=O 1109381371 SXBYHJGDVKNZKP-UHFFFAOYSA-N 311.367 -0.925 30 20 DBED CN(CCCNc1ccc(C#N)nn1)C(=O)CCNC(N)=O 1109450833 MHWAVEPKRHPZCJ-UHFFFAOYSA-N 305.342 -0.333 30 20 DBED CN(CCCN=c1cc[nH]c(C#N)n1)C(=O)[C@@H]1CCCNC1=O 1109544504 XYKYNKIRRYNPHY-LLVKDONJSA-N 316.365 -0.443 30 20 DBED Cc1cc(C#N)nc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)CC(N)=O)n1 1109698089 WOLIXGQFWAFDFP-DFAYQTQMSA-N 300.322 -0.775 30 20 DBED CNC(=O)CC(=O)N[C@H]1[C@H]2C[C@H]1N(c1nccnc1C#N)C2 1109699250 FRTHQQCGTSBJEP-PLMOITTCSA-N 300.322 -0.822 30 20 DBED CC(=O)NCC(=O)N[C@H](CNc1cnc(C#N)cn1)C1CC1 1109781112 LTEUECGFDIEJJQ-GFCCVEGCSA-N 302.338 -0.209 30 20 DBED N#Cc1ccc(NC2(CNC(=O)[C@H]3CNC(=O)N3)CC2)cn1 1110324202 CPKDEMLURYJRFQ-LLVKDONJSA-N 300.322 -0.305 30 20 DBED CC(C)(O)CC(=O)NC[C@]1(O)CCN(c2cncc(C#N)n2)C1 1111066539 UTLYCFCPCLJXBJ-OAHLLOKOSA-N 319.365 -0.433 30 20 DBED Cc1cc(C(=O)N(CCO)CCNc2cnc(C#N)cn2)n[nH]1 1111439131 KMVLUOJBAFFSCR-UHFFFAOYSA-N 315.337 -0.074 30 20 DBED CNC(=O)CC(=O)N[C@H]1CCCN(c2ccnc(C#N)n2)CC1 1111984382 YARGNNDIFMKRCZ-NSHDSACASA-N 316.365 -0.041 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)CSCC#N)CC1 1112630279 TVTOIZWPLXNFNA-LBPRGKRZSA-N 308.407 -0.475 30 20 DBED COCCC(=O)NC[C@@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1112688990 HRIBYGYUIWHMLN-PWSUYJOCSA-N 305.338 -0.702 30 20 DBED CSCC(=O)NC[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1O 1112696633 CSRIWQSYVACEIY-MWLCHTKSSA-N 307.379 -0.375 30 20 DBED C[C@@H](C(=O)NC(N)=O)N1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 1112754031 HDANUGHNLZCKHA-VIFPVBQESA-N 318.337 -0.772 30 20 DBED CCOc1nc(C(=O)N2CCN(CC(=O)NCC#N)CC2)co1 1113069210 UVTSPSKNAHGIAG-UHFFFAOYSA-N 321.337 -0.529 30 20 DBED C[C@H](N=c1cc[nH]c(C#N)n1)[C@H](C)NC(=O)Cc1nc[nH]n1 1113150650 PBDKCLQVHDXLJH-IUCAKERBSA-N 300.326 -0.564 30 20 DBED C[C@H](N=c1cc[nH]c(C#N)n1)[C@@H](C)NC(=O)Cn1nccn1 1113172386 CDKCDQBUEXAOER-VHSXEESVSA-N 300.326 -0.633 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)CC2=CCOCC2)CC1 1113310980 WKOCAQMGEAICCP-UHFFFAOYSA-N 306.366 -0.493 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)C(C)(C)NC(C)=O)CC1 1113434394 FKFPIYXKPANTDR-LBPRGKRZSA-N 324.425 -0.264 30 20 DBED C[C@H](CNC(=O)[C@H]1CCC(=O)N1)N(C)c1ccnc(C#N)n1 1113543069 NWRHMEVWPVTIKI-NXEZZACHSA-N 302.338 -0.432 30 20 DBED C[C@@H](CNC(=O)[C@]1(C)CCC(=O)N1)N(C)c1nccnc1C#N 1113866613 FUYFEESJXMGCII-BONVTDFDSA-N 316.365 -0.042 30 20 DBED Cc1ccc(C(=O)NC2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]23)cn1 1113866751 HDEZDCGUBKKMIA-CHWSQXEVSA-N 313.361 -0.310 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)Cc3cc[nH]n3)[C@H]2C1 1114089027 ZAGSAHSFTKALFA-DRZSPHRISA-N 317.393 -0.311 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@H]2CN(Cc3cncn3C)C[C@H]12 1114158247 SJJDCYBADLVTKY-STQMWFEESA-N 315.377 -0.894 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@H]2CN(Cc3cc(C)no3)C[C@H]12 1114158474 XVBXKNBRUXIAOM-STQMWFEESA-N 316.361 -0.331 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@H]1[C@@H]2CN(CC(=O)N(C)C3CC3)C[C@@H]21 1114189157 KARNRWGFRXSCRJ-IXKJSCDLSA-N 321.421 -0.019 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@H]1[C@@H]2CN(CCN3CCCC3=O)C[C@@H]21 1114189232 LCOWMHJTGQZKPD-OSRSDYAFSA-N 321.421 -0.018 30 20 DBED C#CCCCC(=O)N[C@H]1[C@@H]2CN(CCN3CCNC3=O)C[C@@H]21 1114199650 YJIBGTZKLHCCQA-NHAGDIPZSA-N 304.394 -0.139 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)CCCN(C)C)[C@H]2C1 1114745671 DCIGIANESZTIIL-NYTXWWLZSA-N 320.437 -0.488 30 20 DBED Cc1nc(C(=O)NC2[C@H]3CN(CC(=O)NCC#N)C[C@H]23)c(C)o1 1115011272 TYWNPQSENBWNBS-QWRGUYRKSA-N 317.349 -0.409 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)CN(C)CCC)[C@@H]2C1 1115159173 FSVFFYIJJKTGJK-CHWSQXEVSA-N 306.410 -0.876 30 20 DBED C=CCC[C@H](C)N1C[C@@H]2C(NC(=O)CS(=O)(=O)NC)[C@H]2C1 1115250568 YQWSFCVBCXGKPJ-SRVKXCTJSA-N 315.439 -0.063 30 20 DBED C#CCN1CCN(C(=O)CN[C@@H](C(=O)OCC)C2CC2)CC1 1118224560 JQWPBSBKYJYTSQ-OAHLLOKOSA-N 307.394 -0.305 30 20 DBED CN(C[C@@H]1COCCO1)C(=O)C(=O)Nc1cccc(C#N)n1 1118444473 NIIIYJGLYMFXFE-LLVKDONJSA-N 304.306 -0.234 30 20 DBED Cc1nc(N[C@@H](CO)CNC(=O)[C@H]2COCCO2)ccc1C#N 1121144718 UOBSCSSBZZMPEJ-CHWSQXEVSA-N 320.349 -0.434 30 20 DBED COCCOCCC(=O)NC[C@H](CO)N=c1cc[nH]cc1C#N 1121699734 OZEBTJAJWQFAHP-CYBMUJFWSA-N 322.365 -0.683 30 20 DBED C[C@@]1(C(=O)NC[C@@H](CO)Nc2ccc(C#N)nn2)CCOC1 1121914634 QCJVZQSVIIXNBD-SMDDNHRTSA-N 305.338 -0.336 30 20 DBED N#Cc1nccnc1N[C@H](CO)CNC(=O)C1(F)CCOCC1 1122748572 URKSFZRNQSQJOW-JTQLQIEISA-N 323.328 -0.244 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)[C@@H](C)SC 1123956313 AUSOHDRDCFBTHM-NXEZZACHSA-N 316.427 -0.156 30 20 DBED CNS(=O)(=O)CCC(=O)NCCNCC#Cc1ccccc1 1127088145 PPNAKIIUXKUSBA-UHFFFAOYSA-N 323.418 -0.317 30 20 DBED C=C(C)CCC(=O)NCCNCC(=O)N1CCN(C(C)=O)CC1 1128413859 PBDALIMHAGAWTF-UHFFFAOYSA-N 324.425 -0.261 30 20 DBED C=CCNC(=O)CNCCNC(=O)CCNC(=O)[C@H]1C[C@H]1C 1128634607 UCIATHXIXNVMTF-NEPJUHHUSA-N 310.398 -0.843 30 20 DBED C=C(Cl)CN1C[C@H](n2ccnn2)[C@H](NC(=O)CC(N)=O)C1 1128854901 FGLYFWNITJZIPO-ZJUUUORDSA-N 312.761 -0.753 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(CC#CC)C[C@@H]1n1ccnn1 1128988984 JNPJRXCBOPKSHT-ZNMIVQPWSA-N 315.377 -0.319 30 20 DBED C#CCCN[C@@H]1CN(C(=O)COCC=C)C[C@@H]1n1ccnn1 1129680959 HQKJUVUYIXVUQM-KGLIPLIRSA-N 303.366 -0.155 30 20 DBED Cc1cn(C(C)(C)C(=O)NCCNCC(=O)NCC#N)cn1 1130165211 SKZLJYKLUHPWJK-UHFFFAOYSA-N 306.370 -0.728 30 20 DBED C[C@H]1CCn2cc(C(=O)NCCNCC(=O)NCC#N)nc2C1 1130227151 OBAFKCOAMOXUJD-NSHDSACASA-N 318.381 -0.575 30 20 DBED C=CCNC(=O)CNC[C@@H]1CN(C(=O)CC(=O)NC)CC[C@@H]1C 1132773617 NJFGVYKHGRACEU-QWHCGFSZSA-N 324.425 -0.501 30 20 DBED C#CCNC[C@@H]1CN(C(=O)c2cn(CC(N)=O)nn2)CC[C@@H]1C 1133338389 UZJYFPWRLUJRNF-NWDGAFQWSA-N 318.381 -0.916 30 20 DBED Cc1c[nH]c(C(=O)N[C@@H](C)C[C@H](C)NCC(=O)NCC#N)n1 1135655833 RXKSHLPCIFVTSR-UWVGGRQHSA-N 306.370 -0.156 30 20 DBED CCS(=O)(=O)CC(=O)N[C@@H](C)C[C@H](C)NCC#CCOC 1146590762 AALFWNNDZKOKQV-STQMWFEESA-N 318.439 -0.056 30 20 DBED C=CCCN1CCC2(C1)CN(C(=O)CN(C)S(C)(=O)=O)C2 1147665967 YWLNMTAJRWAKMP-UHFFFAOYSA-N 315.439 -0.012 30 20 DBED C=CCNC(=O)[C@H](C)N1CCC2(CN(C(=O)c3cnn[nH]3)C2)C1 1147846690 KBSKXBHYBCAXBF-NSHDSACASA-N 318.381 -0.357 30 20 DBED C#CCOc1ncccc1C(=O)NCCNCc1nnnn1C 1148302298 KIYMRKAPQZRNNT-UHFFFAOYSA-N 315.337 -0.863 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C[C@H](O)COC)CCCO1 1149385063 YIVUACZYZJWOOA-UONOGXRCSA-N 316.398 -0.597 30 20 DBED C=CCOCCNCCCNC(=O)CCNC(=O)COC 1159256550 SQKWKESRFSFYAK-UHFFFAOYSA-N 301.387 -0.562 30 20 DBED CCOc1nc(C(=O)NCCCNCC(=O)NCC#N)co1 1161821552 YOLQRIHJDIXUPL-UHFFFAOYSA-N 309.326 -0.577 30 20 DBED N#CCNC(=O)CNCCCNC(=O)CCc1ccccn1 1163816211 NQWKHXWUHUYVRJ-UHFFFAOYSA-N 303.366 -0.250 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)[C@H](COC)OC 1166192530 PEGLKZYNAZCJFO-NEPJUHHUSA-N 301.387 -0.566 30 20 DBED C=C1CC(C)(C(=O)NCCCNCCN2C(=O)CNC2=O)C1 1166245927 VRVQJGXMDDCHGR-UHFFFAOYSA-N 308.382 -0.010 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1ccc(C)nc1O 1167331051 PMQPRTGNBDUTBV-UHFFFAOYSA-N 304.350 -0.445 30 20 DBED C#CCNCC1(CCNC(=O)c2cn(C)c(=O)n(C)c2=O)CC1 1167369857 APZTXQVXNNBLLV-UHFFFAOYSA-N 318.377 -0.793 30 20 DBED C#CCOCCC(=O)N1CC[C@@H]2OCCN(CC(=O)NC)[C@H]2C1 1177011948 HGWONGIKGIEADB-KBPBESRZSA-N 323.393 -0.926 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CCCOCC2)C1 1182203952 JCBKVLBIONBSQL-UONOGXRCSA-N 307.394 -0.257 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@@H](NCCN2CCNC2=O)C1 1182505285 VMJOGFHMBVOLOR-QWHCGFSZSA-N 308.382 -0.760 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CCN(C)[C@@H]2CC)C1 1182693498 VCHMGDUJJOATJE-QLFBSQMISA-N 320.437 -0.343 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)c2nc(C)c(C)[nH]c2=O)C1 1183544690 QUISPRYKLXHXKA-CYBMUJFWSA-N 318.377 -0.159 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1185013136 JDKADDCQAJJSNJ-MEBFFEOJSA-N 305.378 -0.793 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)CSC)C1 1191815300 SLOKTHDUSWKTGZ-YNEHKIRRSA-N 300.424 -0.203 30 20 DBED CC#CCN(C)[C@H]1CCN(C(=O)[C@H]2CCN(C)S2(=O)=O)C1 1192795428 YRZWEERBXUVNTB-QWHCGFSZSA-N 313.423 -0.424 30 20 DBED Cc1occc1C(=O)NCC(=O)N[C@@H]1CN(CC#N)C[C@H]1O 1193190156 FRZNRXTVWZDFDM-VXGBXAGGSA-N 306.322 -0.997 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)c2cnc(O)n2C)C1 1195272406 UKFQXTUUAOXMIY-ZYHUDNBSSA-N 310.354 -0.897 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)[C@H]2COCCN2C)CC1 1195514630 JCZMAUGKYZPTKQ-CQSZACIVSA-N 324.425 -0.847 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(CC(=O)NC(C)C)C[C@H]1O 1199312955 IESLQJBIQSPUTL-JHJVBQTASA-N 313.398 -0.737 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2nc(C)no2)C[C@H]1O 1199313510 KKDBZOGVIIWMLC-YUSALJHKSA-N 310.354 -0.370 30 20 DBED COCC#CCNC[C@H]1CN(C(=O)c2ncc[nH]2)CCCO1 1200444317 MEEOGGHQHGEEIA-ZDUSSCGKSA-N 306.366 -0.120 30 20 DBED C#CCNC[C@H]1CN(C(=O)COCc2ccnn2C)CCCO1 1200786038 AWGZBCWMWZBHEA-HNNXBMFYSA-N 320.393 -0.223 30 20 DBED C#CCNC[C@@H]1CN(C(=O)CCc2cn(C)nn2)CCCO1 1202235479 KZHGREMZGGWZQA-CQSZACIVSA-N 305.382 -0.412 30 20 DBED C#CCN[C@@H]1C[C@@H](NC(=O)CCCS(N)(=O)=O)C12CCC2 1203326622 VCTUIQOCFJYVEW-VXGBXAGGSA-N 313.423 -0.295 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CNCCNS(C)(=O)=O)CC1 1204811272 HFRHJHMSHIQNNC-LLVKDONJSA-N 316.427 -0.477 30 20 DBED C=CCOCC(=O)N1CCC[C@H](NCCS(C)(=O)=O)C1 1207683451 BIEUEVTYQNBNCK-LBPRGKRZSA-N 304.412 -0.186 30 20 DBED C=CCOCC(=O)N1CCC[C@@H](N[C@@H]2CCC(=O)NC2=O)C1 1207684482 OUISBZXFDCUUOC-VXGBXAGGSA-N 309.366 -0.425 30 20 DBED Cn1nccc1CC(=O)N1CCC[C@H](NCC(=O)NCC#N)C1 1207914753 ODYIJGZGGUWSSM-LBPRGKRZSA-N 318.381 -0.817 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCN(C(=O)c2ccns2)C1 1208258204 CPWLFIASQQLMOX-SNVBAGLBSA-N 307.379 -0.023 30 20 DBED C#CCCN[C@@H]1CCCN(C(=O)CCCS(N)(=O)=O)C1 1209358062 XSPBCRNCDWTQTO-GFCCVEGCSA-N 301.412 -0.341 30 20 DBED C=CCNC(=O)NC(=O)CN1C[C@@H](NC(=O)C2CC2)[C@H](OC)C1 1211741915 UVDOSGARVLXQTF-VXGBXAGGSA-N 324.381 -0.776 30 20 DBED CC#CCN1C[C@@H](NC(=O)[C@]2(CC)CCNC2=O)[C@H](OC)C1 1212425906 JXXNIJBHEGRERX-XJKCOSOUSA-N 307.394 -0.259 30 20 DBED C#CCCN1C[C@@H](NC(=O)COCc2nccn2C)[C@H](OC)C1 1212444285 NXGPONJRIWPYJC-ZIAGYGMSSA-N 320.393 -0.225 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)c2cc(C)n(C)n2)C[C@H]1C 1214233580 YBAVLQNHCHPXDH-BXUZGUMPSA-N 317.393 -0.472 30 20 DBED C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1NCCS(C)(=O)=O 1214450154 KGTSASZWUDSKCZ-ZWNOBZJWSA-N 324.406 -0.019 30 20 DBED COc1cc(C(=O)N2C[C@@H](NCC(=O)NCC#N)[C@H](C)C2)on1 1214466316 KTSIRFAVEYCYIC-NXEZZACHSA-N 321.337 -0.627 30 20 DBED COCC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CCCO1 1217225825 LOOXEGFHRUAWNM-SOUVJXGZSA-N 308.378 -0.273 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H](C)CS(C)(=O)=O 1219054806 LHILUZYQMICCFY-RWMBFGLXSA-N 314.407 -0.788 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)c2occc2C)C1 1219180629 ICFKXAYTHDQCBK-XQQFMLRXSA-N 319.361 -0.499 30 20 DBED C[C@@H]1CN(C)C[C@H]1C(=O)NC1CCN(CC(=O)NCC#N)CC1 1229185323 LGRPALGLXBMNJA-TZMCWYRMSA-N 321.425 -0.596 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC[C@@H]1CN(C)C(=O)CNC(=O)CC 1231270694 BPPKZFDOMGDQHJ-CHWSQXEVSA-N 324.425 -0.264 30 20 DBED C=CCNC(=O)CN1CC[C@H]1CN(C)C(=O)CCc1nc[nH]n1 1233561417 SCMGTQFKXKGDOT-LBPRGKRZSA-N 320.397 -0.428 30 20 DBED CCS(=O)(=O)N(C)C1CCN(CC(=O)NCC#N)CC1 1253435986 YTQUQTURRRYQSH-UHFFFAOYSA-N 302.400 -0.628 30 20 DBED Cc1cc(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)nn1CCC#N 1253948247 BYCGLCJWWNVRAH-NSHDSACASA-N 316.321 -0.205 30 20 DBED C#CCSCCNC(=O)C(=O)NCCCC(=O)NC1CC1 1261090077 HKIVYJSQQCFYGA-UHFFFAOYSA-N 311.407 -0.356 30 20 DBED C=C(C)COCCNC(=O)C(=O)N1CCCN(CC)C(=O)C1 1261164136 HRHNNPHICSBWSL-UHFFFAOYSA-N 311.382 -0.224 30 20 DBED C[C@H](OC(=O)CCN/C(O)=C1\N=CC=CC1=O)C(=O)N(C)C 1319053992 OKZOQRLRQCPURY-XRNDOFNESA-N 309.322 -0.077 30 20 DBED COc1ccc(C=NN2C(=O)CNC2=O)cc1OCC(N)=O 1320526080 VBGLNPSILLIXCI-UHFFFAOYSA-N 306.278 -0.555 30 20 DBED Cc1ncc2c(n1)CC[C@@H](NC(=O)NCC(=O)NCC#N)C2 1323855664 YOUIKTZKIIMRJD-LLVKDONJSA-N 302.338 -0.419 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2CN2CCCC2)CCO1 1325177513 SOFRQLJDOPQJAV-UONOGXRCSA-N 320.393 -0.176 30 20 DBED C=CCN(CCOC)C(=O)C(=O)NCc1nn(CC)nc1C 1326250675 OXZXPTYUZMQKIK-UHFFFAOYSA-N 309.370 -0.116 30 20 DBED CC(C)(CNC(=O)C(=O)Nc1cccc(C#N)n1)OCCO 1326362532 WHQQEIMTRAXDSY-UHFFFAOYSA-N 306.322 -0.205 30 20 DBED C=CCN(C(=O)C(=O)NCCCN1C(=O)CNC1=O)C1CC1 1326510946 IURHMKTZMVYMTQ-UHFFFAOYSA-N 308.338 -0.779 30 20 DBED N#C[C@]1(F)CCN(C(=O)C(=O)N2CC[C@H]3NC(=O)CC[C@H]3C2)C1 1329703035 IXPFYCVVAHDMSA-FIXISWKDSA-N 322.340 -0.422 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)c2ccccn2)CC1 1332384807 QUQWLUDYQMBZMS-UHFFFAOYSA-N 308.363 -0.693 30 20 DBED C=CCN(C(=O)C(=O)NCc1nnnn1C1CC1)[C@@H](C)COC 1334129347 VKIJSSPCSQTORI-JTQLQIEISA-N 322.369 -0.326 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(C)no2)CC1 1336050031 SNILGEMPFUUOCK-UHFFFAOYSA-N 312.351 -0.792 30 20 DBED C=CCn1c(-c2cnc(OC)cn2)nnc1N1CCNC(=O)C1 1339730548 ZPZXAPNJNIBIBP-UHFFFAOYSA-N 315.337 -0.134 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N(CCS(C)(=O)=O)C1CC1 1347038078 CXKAYIJZQVFSRT-SNVBAGLBSA-N 318.395 -0.661 30 20 DBED C=CCn1c([C@H]2CNC(=O)C2)nnc1N(C)C[C@H](C)C(=O)NC 1355379185 KAUQXBDNUUVZCB-WDEREUQCSA-N 320.397 -0.114 30 20 DBED N#Cc1cn(CC(=O)NCCc2ccc(O)cc2)c(=O)nc1O 1362125827 GZNCVGRLSXGDJR-UHFFFAOYSA-N 314.301 -0.115 30 20 DBED C[C@H](O)[C@@H]1CCCN(C(=O)Cn2cc(C#N)c(O)nc2=O)C1 1362644508 IOBPAENATQVYGR-VHSXEESVSA-N 306.322 -0.560 30 20 DBED C[C@@H]1C(=O)CC[C@@H]1CC(=O)NCCn1cc(C#N)c(O)nc1=O 1362691659 ZEEWHILOAVXNCJ-VHSXEESVSA-N 318.333 -0.058 30 20 DBED N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)CCc1cnn[nH]1 1363129678 NABOWBILWHPPLN-UHFFFAOYSA-N 316.325 -0.193 30 20 DBED C[C@H](CNC(=O)[C@H](C)C#N)NC(=O)c1ccc2nn[nH]c2n1 1373057752 AHYKRCPUUOQIJG-HTQZYQBOSA-N 301.310 -0.253 30 20 DBED CCN(CCC#N)C(=O)CN1CC[C@](C)(NC(=O)COC)C1 1375802224 GYLLOICDOZNPCE-HNNXBMFYSA-N 310.398 -0.024 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@@H](C)CNC(=O)CNC(=O)N1CCCC1 1380728577 YQWWKSSWEPBDTM-RYUDHWBXSA-N 323.397 -0.085 30 20 DBED CCCN(CCNC(=O)[C@@H](C)S(C)(=O)=O)C(=O)[C@@H](C)C#N 1398254276 ZFURCRVSYNPLSY-WDEREUQCSA-N 317.411 -0.066 30 20 DBED C=C(Cl)CN[C@H]1CCN(C(=O)CN(C)S(C)(=O)=O)C1 1399160400 JHDOFBHQHXWLNQ-JTQLQIEISA-N 309.819 -0.179 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1cc2cnccc2[nH]1 1399868678 YNKCGZFHTPYYDF-KOLCDFICSA-N 315.333 -0.071 30 20 DBED CNC(=O)NCC(=O)N[C@H](CNC(=O)[C@@H](C)C#N)C1CCCC1 1400833984 JJZCZMOFVPEFHZ-CMPLNLGQSA-N 323.397 -0.134 30 20 DBED C[C@@H](C#N)C(=O)NC1CC(N(C)C(=O)CCS(C)(=O)=O)C1 1405839487 SLVQJPQCPLOFAR-WHXUTIOJSA-N 315.395 -0.314 30 20 DBED CC(=O)NCC(=O)N1CCC[C@@H]1CNC(=O)c1ccc(C#N)[nH]1 1409599271 PLLLZXQWFOHOOZ-GFCCVEGCSA-N 317.349 -0.257 30 20 DBED C[C@@H](CNC(=O)c1cnn(C)n1)NC(=O)c1cc(C#N)c[nH]1 1410347848 SABHCYPUPLVVTD-QMMMGPOBSA-N 301.310 -0.437 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CCCN(C(=O)CN2CCOCC2)C1 1415959977 TXVUHBMVQYECGS-STQMWFEESA-N 308.382 -0.415 30 20 DBED Cc1c(CN(C)C(=O)Cn2cc(C#N)c(O)nc2=O)cnn1C 1417770184 VPEQKQJSMQBTHA-UHFFFAOYSA-N 316.321 -0.479 30 20 DBED Cc1nc(CNC(=O)CCn2cc(C#N)c(O)nc2=O)[nH]c1C 1433779877 RWNRVYBBICJXCU-UHFFFAOYSA-N 316.321 -0.133 30 20 DBED C=C(Cl)CN1CC(O)(CNC(=O)c2ccc3nn[nH]c3n2)C1 1446856691 MVRVNWYQNYGUGW-UHFFFAOYSA-N 322.756 -0.118 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1C)NC(=O)c1c[nH]c(C#N)c1 1452784660 VNGZBPCXQLGSAF-CABZTGNLSA-N 317.349 -0.258 30 20 DBED CC[C@@H](OC)C(=O)NC[C@@H](O)CNC(=O)c1ccc(C#N)[nH]1 1457945425 XIMUXGLSECWKPL-CMPLNLGQSA-N 308.338 -0.482 30 20 DBED Cc1nc(CC(=O)N2CCC(NC(=O)[C@H](C)C#N)CC2)n[nH]1 1492088950 XIVREGODUCAXDM-SECBINFHSA-N 304.354 -0.078 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H](C)C1CCN(C(=O)Cn2ncnn2)CC1 1511901147 SAXMCTUUPDHHRR-QWRGUYRKSA-N 319.369 -0.424 30 20 DBED C=C(CN(C)C)C(=O)NCCNc1ncccc1-c1nn[nH]n1 1573296197 ZRHNHEYJPJWQNY-UHFFFAOYSA-N 316.369 -0.092 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](NCC(=O)NCc2cnn[nH]2)[C@H](C)C1 1575177348 KONNRQXAHPJJGW-HOSYDEDBSA-N 319.369 -0.983 30 20 DBED N#Cc1nc(N)n(CC2CCS(=O)(=O)CC2)c1-c1nn[nH]n1 1581878370 IPHOOCLNSLPCRW-UHFFFAOYSA-N 322.354 -0.658 30 20 DBED C#CCOCCN(C)C(=O)[C@H](C)n1cnc(-c2nn[nH]n2)n1 1588362355 AXWUZOCMBWLIQU-VIFPVBQESA-N 304.314 -0.873 30 20 DBED C#CCSCCNC(=O)C(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)O)C1 1588506184 IKYSTZGCMUGCAL-BFVZDQMLSA-N 310.375 -0.162 30 20 DBED C[C@@H](OC(=O)CNS(=O)(=O)c1cccc(C#N)c1)C(=O)O 1589160043 ZVQJOSIGEPULIE-MRVPVSSYSA-N 312.303 -0.147 30 20 DBED CSc1nc(O)c(C(=O)N[C@H](C(=O)O)[C@@H](C)O)cc1C#N 1599805456 WJMAXZOQWYNUIJ-XRGYYRRGSA-N 311.319 -0.055 30 20 DBED C#Cc1ccc(C(=O)N2CCS(=O)(=O)C[C@@H]2CC(=O)O)cn1 1602740078 VCRKNOWHDLOTQZ-LBPRGKRZSA-N 322.342 -0.223 30 20 DBED C[C@](C#N)(CC(=O)O)C(=O)N1CCC[C@@]2(C1)NC(=O)NC2=O 1602778439 ISJONTJHCABPIA-OLZOCXBDSA-N 308.294 -0.808 30 20 DBED Cc1nc(C#N)c(-c2nn[nH]n2)n1CC(=O)NC[C@H]1CCCO1 1606023993 RPMOHOIXIBJJPS-SECBINFHSA-N 316.325 -0.462 30 20 DBED Cc1nc(C(=O)NCCC(=O)NCCC(=O)O)ccc1C#N 1607945033 IUESHCIZOZUVCM-UHFFFAOYSA-N 304.306 -0.028 30 20 DBED C#CCOCCNC[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 1609021569 JMYXDQSLQCXQJR-CYBMUJFWSA-N 317.349 -0.154 30 20 DBED N#Cc1ccc(C(=O)NC[C@@H](O)CN2CCCC2=O)cc1O 1647155234 KPZBRRCSPFJGSN-GFCCVEGCSA-N 303.318 -0.023 30 20 DBED N#CCNC(=O)CN1CC[C@@H](NC(=O)CCn2ccnc2)C1 1731373572 ZAQIXTMQCNXVKP-GFCCVEGCSA-N 304.354 -0.897 30 20 DBED C#CCCN[C@H]1C[C@@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)C1 1752775774 VUBFQFWDUANXPB-TXEJJXNPSA-N 318.381 -0.760 30 20 DBED C=CCNC[C@H](O)CNC(=O)c1c[nH]nc1-c1cnn(C)c1 1753933164 FIIOPRHCHVIMRH-NSHDSACASA-N 304.354 -0.324 30 20 DBED C=CCN1CC[C@@H](NC[C@H](C)NC(=O)Cn2cncn2)C1=O 1754293481 WGVPVHQSJILWQQ-NWDGAFQWSA-N 306.370 -0.841 30 20 DBED C#CCCNC[C@@H]1CCCN1C(=O)COCc1nncn1C 1754619043 QFGRWMPYPDPGPG-ZDUSSCGKSA-N 305.382 -0.064 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@]1(O)CCN(Cc2nc(C)no2)C1 1754748784 MOAAZFJGPIRYED-LSDHHAIUSA-N 324.381 -0.242 30 20 DBED C[C@H]1CN(C(=O)c2ccccn2)C[C@H]1NCC(=O)NCC#N 1755105443 HEMRUBDOKVKMFJ-WCQYABFASA-N 301.350 -0.229 30 20 DBED C#CCNC(=O)CN1C[C@H](NC(=O)[C@@H](OC)C2CC2)C(C)(C)C1 1755406399 DYCXJIYQGLNFEU-ZFWWWQNUSA-N 321.421 -0.013 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](CNC(=O)c3cccnc3)[C@H]2C1 1755432910 MXSUVGCSVRMWIR-QKDCVEJESA-N 312.373 -0.261 30 20 DBED CCS(=O)(=O)N(C)CC(=O)NCC1[C@H]2CN(CC#N)C[C@H]12 1755434348 RGGGHQSNKNSUFM-VXGBXAGGSA-N 314.411 -0.915 30 20 DBED COCC#CCNCCC[C@H](C)NC(=O)c1c[nH]c(=O)cn1 1755511750 PVMDTTGNIDOUIJ-LBPRGKRZSA-N 306.366 -0.092 30 20 DBED C#CCNC(=O)CN1CCC[C@H](NC(=O)c2cnn(C)n2)[C@@H]1C 1755720557 GGERJBSWPYBBIQ-RYUDHWBXSA-N 318.381 -0.853 30 20 DBED C#CCNC(=O)CNC[C@@H]1CC[C@@H](NC(=O)c2cc[nH]n2)C1 1755728040 CDKWMMVVPFWYQX-VXGBXAGGSA-N 303.366 -0.353 30 20 DBED C=CCN(C)C[C@H](O)CN(C)C(=O)CNC(=O)c1ccccn1 1755806995 BUBPJQQGASVTBZ-ZDUSSCGKSA-N 320.393 -0.252 30 20 DBED C=CCCOCC(=O)N[C@@H](C)C1CN(C(=O)Cn2nccn2)C1 1756146832 DDSDGUUHGQUCOK-LBPRGKRZSA-N 321.381 -0.166 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](CO)CNC(=O)c1cccnc1 1756500925 HPWYCNDUWAJSIX-MJBXVCDLSA-N 319.361 -0.120 30 20 DBED CC(C)(C)C#CC(=O)NC[C@@H](CO)NC(=O)[C@H]1CCCC(=O)N1 1756520143 VRJZGQRJCDFSIS-NWDGAFQWSA-N 323.393 -0.702 30 20 DBED C#CCCCC(=O)NC[C@H](O)CN(C)C(=O)[C@H]1CCCNC1=O 1756666769 GBFUMHBFOTZJLD-STQMWFEESA-N 323.393 -0.748 30 20 DBED Cn1cc(N2CC[C@@H](NC(=O)C3(C#N)CCOCC3)C2=O)cn1 1771607881 NSKUJCQAMBMUEO-GFCCVEGCSA-N 317.349 -0.038 30 20 DBED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nccn3C)C[C@@H]21 1790790970 QHYDYYOLVDCPRM-AVGNSLFASA-N 316.361 -0.353 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)[C@H](C)NC=O)C1 1845176823 ROROCDSBLMONRB-STQMWFEESA-N 323.393 -0.085 30 20 DBED N/C(=N\CCS(=O)(=O)N1CCOCC1)N1CCCCCC1 126044863 YAFRYWCPHWFADZ-UHFFFAOYSA-N 318.443 -0.161 30 20 DBED CCC(=O)N1CC[C@@H](N/C(=N\C)NCC(=O)N2CCCC2)C1 161136788 PQKLSYVKINIWMN-GFCCVEGCSA-N 309.414 -0.215 30 20 DBED C#CCNC(=O)c1ccc(N2CCO[C@@H](C(=O)NC)C2)nc1 273169878 KKGFAAPEWISVJP-GFCCVEGCSA-N 302.334 -0.604 30 20 DBED C=CCNC(=O)CNC(=O)N[C@H]1CCCN(c2ccnn2C)C1 278072579 GGPAEQFNABRAAC-LBPRGKRZSA-N 320.397 -0.010 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1CC[C@H](S(C)(=O)=O)C1 282411486 YFRHSKIOINJZOE-UWVGGRQHSA-N 303.384 -0.494 30 20 DBED CC(C)[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccc(C#N)cn1 294925429 XFWDFEFCBGGWLR-GFCCVEGCSA-N 315.333 -0.125 30 20 DBED CNC(=O)CN(CCOC)S(=O)(=O)c1ccc(C#N)cc1 298757497 QFLHYWXOGPUSLW-UHFFFAOYSA-N 311.363 -0.059 30 20 DBED CN/C(=N\CCC(=O)OC(C)C)NCCN1CCOCC1 303780494 LLFXNGHKAXAICM-UHFFFAOYSA-N 300.403 -0.175 30 20 DBED COC[C@H](C)N/C(N)=N/C[C@H]1CCC[C@@H]1NS(C)(=O)=O 305020168 NPIHESJDHHXHTJ-AXFHLTTASA-N 306.432 -0.357 30 20 DBED COc1nnc(N/C(O)=N/[C@H]2CCCS(=O)(=O)C2)s1 328749234 PYVCCCXYAYBJDM-LURJTMIESA-N 306.369 0.450 30 20 DBED CN(C)c1nccc(C/N=C(/O)N2C[C@@H]3OCCN(C)[C@H]3C2)n1 329395981 UGPPUAVOHMTSKS-STQMWFEESA-N 320.397 -0.029 30 20 DBED CCS(=O)(=O)N(C)CCC/N=C(/O)N[C@H]1CCN(C)C1=O 330889714 OKXGJYXOUKOCMP-JTQLQIEISA-N 320.415 -0.608 30 20 DBED COCCN(CCC#N)S(=O)(=O)NC[C@@](C)(O)C1CC1 337054764 APURRMSZKFTVER-GFCCVEGCSA-N 305.400 -0.156 30 20 DBED COC(=O)[C@@H]1CC[C@H](NS(=O)(=O)N2CCO[C@@H](C#N)C2)C1 337133424 AWNXGLSFLQXVCQ-VWYCJHECSA-N 317.367 -0.613 30 20 DBED CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)N(C)[C@@H](C)CC#N 337798914 FRMKOEWFGVJTLH-QWRGUYRKSA-N 323.440 -0.026 30 20 DBED CN(CCC#N)S(=O)(=O)NC[C@@H]1CCCN1S(C)(=O)=O 338152734 MDENEWZPJDFCOH-JTQLQIEISA-N 324.428 -0.910 30 20 DBED Cn1c(CS(=O)(=O)c2ccc(C#N)cc2)cc(=O)n(C)c1=O 359195184 YJYDWYFPIUNLNC-UHFFFAOYSA-N 319.342 -0.070 30 20 DBED CC(C)n1cc(C#N)c(NC(=O)C(=O)NC[C@@H]2CCC[C@@H]2O)n1 359221169 IGBGUWZLVPWRSB-JQWIXIFHSA-N 319.365 0.551 30 20 DBED N#Cc1ncn(CCNC(=O)N[C@@H]2CC(=O)N3CCCC[C@@H]23)n1 376414646 PKRAHZYZSBDLEW-MNOVXSKESA-N 317.353 -0.398 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCSC[C@H]1C(=O)O 417449655 ABSRGOGOAGQRQB-IUCAKERBSA-N 307.397 -0.175 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2cncnc2CC)CC1 491125344 DLOAIHQAMFZIDV-UHFFFAOYSA-N 315.377 -0.454 30 20 DBED C#CCNC(=O)C1CCN(S(=O)(=O)[C@@H]2CCOC2)CC1 491153727 CQUYDCUGWPTZCO-GFCCVEGCSA-N 300.380 -0.434 30 20 DBED C#CCNS(=O)(=O)CCCS(=O)(=O)Nc1ncc(C)o1 491380966 BXQLXGKOYJAXJU-UHFFFAOYSA-N 321.380 -0.333 30 20 DBED C[C@@H](O)CN(CC(F)F)S(=O)(=O)N1CCO[C@@H](C#N)C1 520254183 NRJNMMCDZHWCIR-BDAKNGLRSA-N 313.326 -0.597 30 20 DBED C=C(C)CN(CC)C(=O)CS(=O)(=O)Cc1nnn(C)n1 568258681 PTAFASLCEBRQCS-UHFFFAOYSA-N 301.372 -0.451 30 20 DBED N#Cc1cccc(NC(=O)C(=O)N2CC(=O)N(CC3CC3)C2)n1 573919706 VLSBDWDPQYAMIT-UHFFFAOYSA-N 313.317 -0.070 30 20 DBED COC(=O)c1ccc(N2CC[C@@H](S(N)(=O)=O)C2)c(C#N)n1 574100584 UQVCRZNKRBFEBG-MRVPVSSYSA-N 310.335 -0.393 30 20 DBED Cc1cc(NC(=O)C(=O)N[C@@H](C(N)=O)C(C)C)ncc1C#N 594300705 IDNDMTNRNOETHP-LLVKDONJSA-N 303.322 -0.174 30 20 DBED N#CCC1(CNC(=O)NCCOCCS(N)(=O)=O)CC1 596623337 VQQZVMLMULDQOS-UHFFFAOYSA-N 304.372 -0.715 30 20 DBED CC(C)[C@H](C#N)N1CCN(C(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)CC1 597046644 JNZFYBFMZWEHLP-GBJTYRQASA-N 323.393 -0.908 30 20 DBED N#CCCN1CCN(C(=O)C(=O)N2CCC(CCN)CC2)CC1 601581662 IRJFSNMLTJPPKB-UHFFFAOYSA-N 321.425 -0.368 30 20 DBED N#CCCCNC(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 612137026 ZGBKJEMUSSNKKH-CQSZACIVSA-N 309.414 -0.004 30 20 DBED C=C[C@H](CO)NC(=O)[C@H]1CC(=O)N(c2cnn(CCOC)c2)C1 620591157 LFXNBXHSVNNPFG-NWDGAFQWSA-N 322.365 -0.455 30 20 DBED C=CCn1cc(CNS(=O)(=O)C[C@@H](COC)OC)nn1 641543337 QHVKBTWKWVZSDQ-LLVKDONJSA-N 304.372 -0.455 30 20 DBED Cc1cc(O)cc2c1C(=O)C(=NNC(=S)NCC(N)=O)O2 731930281 VOJDQPVLLSVXFF-UHFFFAOYSA-N 308.319 -0.461 30 20 DBED C#CCNS(=O)(=O)N1CCN([C@@H](C)C(=O)OCC)CC1 761023133 DWAKFOXIWNQNKA-NSHDSACASA-N 303.384 -0.977 30 20 DBED CC1=C(C(=O)OCC(=O)NCC#N)[C@H](C)n2ncnc2N1C 791466726 LRSGKFFMQIYCCG-VIFPVBQESA-N 304.310 -0.254 30 20 DBED C=CCN1CC[C@H](OC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1=O 798613500 FHODSZZDDOOEGU-JTQLQIEISA-N 317.305 -0.599 30 20 DBED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1cc(C(N)=O)ccc1C 799286595 IBIUYKJWDNMDQR-GFCCVEGCSA-N 317.345 -0.077 30 20 DBED N#CCNC(=O)CNC(=O)COc1ccc2ccc(=O)oc2c1 804820241 CPXFGKFIXSRHCA-UHFFFAOYSA-N 315.285 -0.072 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@H](C)[C@@H]1CN(C)CCO1)[C@H]1CCCO1 809311423 HTBJSSQKPDHFEG-RQJABVFESA-N 323.393 -0.881 30 20 DBED NC(=O)COc1ccc(C(=O)N[C@@H]2CCCN(O)C2=O)cc1 816755252 WOYVXFVWZCDDNK-LLVKDONJSA-N 307.306 -0.339 30 20 DBED CCS(=O)(=O)NCCCn1cnc(C#N)c1-c1nn[nH]n1 825663074 HSJRLRWZHTXQSR-UHFFFAOYSA-N 310.343 -0.736 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@H]1CCN(CCC)C1)[C@@H]1CCCO1 829213792 CGCCGIFFSMKSRA-IHRRRGAJSA-N 307.394 -0.116 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CCSC2)CC1 831565159 OHLLCJFHQKSNSO-LLVKDONJSA-N 317.436 -0.649 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCS(=O)(=NS(C)(=O)=O)CC1 854592210 HYVZMGJUEOLPSJ-JTQLQIEISA-N 322.408 -0.706 30 20 DBED COC(=O)c1cnn(CC(=O)O[C@H](C)C(=O)N(C)CCC#N)c1 859971418 AKZHYHFACBGSBJ-SNVBAGLBSA-N 322.321 -0.027 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCN(CCC#N)CC1)[C@H]1CCCO1 875324166 KFXLDHWREPYSBV-UONOGXRCSA-N 318.377 -0.659 30 20 DBED C#CCN1C(=O)c2ccccc2N[C@H]1c1cn(CC(N)=O)nn1 877849299 GHOMABQLTBBAMV-CQSZACIVSA-N 310.317 -0.037 30 20 DBED C#CC1(O)CN(C(=O)[C@H]2CCCN2S(=O)(=O)CCCC)C1 890520727 MLNAUKCOIXUMDJ-GFCCVEGCSA-N 314.407 -0.213 30 20 DBED C#CC1(O)CN(C(=O)NCCn2c(=O)oc3ccccc32)C1 892859942 AQTVWFLCWWTQMB-UHFFFAOYSA-N 301.302 -0.016 30 20 DBED C=CCNC(=O)CNS(=O)(=O)C[C@@]12CCCN(CC1)C2 914335333 MGRYSRDBQDOJAT-ZDUSSCGKSA-N 301.412 -0.306 30 20 DBED CCCS(=O)(=O)N1CCC(NC(=O)NCC#CCO)CC1 923759230 QCIVOFHUGADNBZ-UHFFFAOYSA-N 317.411 -0.515 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)c3nc[nH]n3)C2)nc1 938452553 GZZFLKUQAORYML-NSHDSACASA-N 310.317 -0.175 30 20 DBED Cc1ncnc(O)c1C(=O)N[C@H]1CCN(C(=O)[C@@H](C)C#N)C1 938480804 HSGGVMXVEGCSDT-WPRPVWTQSA-N 303.322 -0.019 30 20 DBED CN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CCN(C(=O)c2nc[nH]n2)C1 939080608 DMAKEMDYRJWSPQ-JTQLQIEISA-N 313.321 -0.009 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](NC(=O)c2cncc(C(N)=O)c2)C1 940578299 QUNAEZFSJKAXSS-BXKDBHETSA-N 315.333 -0.329 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C2CN(CC(=O)NC3CC3)C2)CC1 941347870 FOBKCCHTYNOHNB-LBPRGKRZSA-N 319.409 -0.747 30 20 DBED C[C@@H](C#N)C(=O)N1CCCN(C(=O)[C@H]2CCN(C)C2=O)CC1 941983241 GJRIGKDHTCTMMM-RYUDHWBXSA-N 306.366 -0.315 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)C(N)=O)C[C@H]2OC)cc1 944337202 NCXLQNTZMMAURS-CHWSQXEVSA-N 315.329 -0.891 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)COC)CCO1 944647702 OZHHQCWEYBUGCB-KGLIPLIRSA-N 323.393 -0.926 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCN(C(=O)[C@@H]3CNC(=O)N3)CC2)C1 945025800 RYGNPGOBCYURSR-MNOVXSKESA-N 319.365 -0.722 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]1CNC(=O)c1cn2c(n1)COCC2 950805373 WOSZISWHXNPARS-GHMZBOCLSA-N 317.349 -0.096 30 20 DBED N#Cc1cc(C(=O)N2CC[C@]3(CCN(C(=O)C(N)=O)C3)C2)c[nH]1 953157531 XBRYTICSJMYXAF-HNNXBMFYSA-N 315.333 -0.564 30 20 DBED N#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cc3c([nH]2)CCOC3)C1 958130176 CNNKPAQXRMOHBF-SMDDNHRTSA-N 304.350 -0.367 30 20 DBED C#CCN1C[C@H](CNC(=O)c2ccc3nc(O)[nH]c3n2)[C@@H](O)C1 958345718 QWJFQTUHVSVGAZ-CABZTGNLSA-N 315.333 -0.681 30 20 DBED CC#CCN1C[C@H](CNC(=O)c2cnc(O)cc2OC)[C@@H](O)C1 958412491 FBDYYWLWRCXIEV-AAEUAGOBSA-N 319.361 -0.158 30 20 DBED CNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)c3cc(C#N)c[nH]3)[C@H]2C1 958504784 IIKDYJCLPAENHP-MVVXRAEJSA-N 301.350 -0.319 30 20 DBED C#CCCN1C[C@H](CNC(=O)c2c[nH]c(C)cc2=O)[C@@H](O)C1 958562487 GKLNCXKDLSCVMD-WFASDCNBSA-N 303.362 -0.271 30 20 DBED Cn1nnnc1CN1C[C@H]2C(NC(=O)c3ccc(C#N)[nH]3)[C@@H]2C1 958599131 PXBKJBKHTGBQTL-NXEZZACHSA-N 312.337 -0.730 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2noc3c2COCC3)C1 958725006 UYFPCIVLCAUXKO-ZYHUDNBSSA-N 305.334 -0.597 30 20 DBED Cc1cc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)cnn1 962501787 VFXNCIGGPADSLF-FXAINCCUSA-N 303.322 -0.754 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C(F)F)C[C@@H]1O 964489198 CGKDLWNDSYKSIW-VLEAKVRGSA-N 318.320 -0.079 30 20 DBED Cc1c[nH]c(C(=O)N2CC3(C2)CN(C(=O)[C@H](C)C#N)CCO3)n1 965479422 ZWNQPPNMBABCOW-SNVBAGLBSA-N 317.349 -0.069 30 20 DBED C[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1NC(=O)c1c[nH]c(C#N)c1 966685431 WVJRRURWZGNOCP-KCJUWKMLSA-N 313.321 -0.105 30 20 DBED C#CCN1CC[C@@H](C)[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 968375299 UVPQKMLQBRGDHN-YPMHNXCESA-N 318.377 -0.843 30 20 DBED C=C1CC(C)(C(=O)N2C[C@H](O)[C@H](NC(=O)c3[nH]nnc3C)C2)C1 969477862 LUCGAWLNRAHECW-MNOVXSKESA-N 319.365 -0.229 30 20 DBED C[C@@H](NC(=O)c1ccc(C#N)[nH]1)C1CN(Cc2nnn(C)n2)C1 969513695 FGQQVXYTRBHPIY-SECBINFHSA-N 314.353 -0.340 30 20 DBED CC#CCN1C[C@H]2CC[C@H]1CN2C(=O)Cn1ncn(C)c1=O 971540341 SYUFXHQHUFHXHD-QWHCGFSZSA-N 303.366 -0.720 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)c3cnn(C)c3N)[C@@H]2C1 971885673 DSSPGQRHEPSSTF-CKYFFXLPSA-N 316.365 -0.165 30 20 DBED CC[C@H](C(N)=O)N1CCO[C@@]2(CCN(C(=O)C#CC3CC3)C2)C1 972381014 KXCYWXLJEUGDCV-PBHICJAKSA-N 319.405 -0.033 30 20 DBED CN1C[C@H](C(=O)N(C)C[C@H]2CCN2C(=O)C#CC2CC2)CC1=O 977845883 PRTHLIPXFCLHDG-ZIAGYGMSSA-N 317.389 -0.063 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]1CN(C)C(=O)c1cnc(O)n1C 978153391 ODFPEZUXIKCYTN-UWVGGRQHSA-N 305.338 -0.042 30 20 DBED C=CCCN1C[C@H]2C(CNC(=O)[C@@H]3CC(=O)NC(=O)N3)[C@@H]2C1 978801012 WGEFRXRFRBPAHU-SRVKXCTJSA-N 306.366 -0.545 30 20 DBED C#CCCN1CCCN(C(=O)c2cc(=O)n3[nH]cnc3n2)CC1 989477011 FDDZXOFUYTWTMU-UHFFFAOYSA-N 314.349 -0.411 30 20 DBED N#Cc1cc(C(=O)N2CC(NC(=O)CN3CCCC3)C2)c[nH]1 991748913 OMGDEMHNQQWWAB-UHFFFAOYSA-N 301.350 -0.077 30 20 DBED C=CCN1CCC[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)[C@@H]1C 993413191 KMENPLHTRJHZST-QWHCGFSZSA-N 320.393 -0.298 30 20 DBED CC#CCN1CCC[C@H](NC(=O)CN2CCOCC2=O)[C@@H]1C 993420903 KRDIRRDDUOTJBO-KBPBESRZSA-N 307.394 -0.162 30 20 DBED C=CCn1cc(C(=O)N2CC(NC(=O)[C@H]3CO[C@@H](C)C3)C2)nn1 994641588 MULLPNWZERKAQC-WDEREUQCSA-N 319.365 -0.170 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@@H]2Cc3cncn3C(=O)N2)CC1(C)C 996076186 UBQWAWWKQYELAP-QWHCGFSZSA-N 315.377 -0.175 30 20 DBED C=CCN[C@H]1CN(C(=O)CN2C(=O)C(=O)N(C)C2=O)CC1(C)C 996372915 HUCCHRRLAQTLSW-JTQLQIEISA-N 322.365 -0.580 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)[C@@H]2CCCc3nn[nH]c32)C1 998566394 BUWJVNRNIGHZQK-WCBMZHEXSA-N 302.338 -0.289 30 20 DBED C#CCN1CCC(C(=O)NCC2CN(C(=O)[C@H](C)OC)C2)CC1 1002471438 AWASCZGTJYGVSZ-ZDUSSCGKSA-N 321.421 -0.059 30 20 DBED Cn1[nH]c(CN2CC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)nc1=O 1010672354 VUOATILXOCLMBG-SNVBAGLBSA-N 315.337 -0.688 30 20 DBED CCn1cc(C(=O)NC2[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]23)nn1 1013701703 YEFGIXWUGREZDU-VXGBXAGGSA-N 313.361 -0.102 30 20 DBED C#CCN1CC[C@@H](NC(=O)Cn2nnc(-c3ccco3)n2)C1 1015050489 SCWCLTDVJPSSEN-LLVKDONJSA-N 300.322 -0.243 30 20 DBED CC#CCN1CCC2(CC1)C[C@@H]2NC(=O)CN1CCOCC1=O 1016662065 PYUIEDYBJUBNMM-AWEZNQCLSA-N 319.405 -0.161 30 20 DBED C#CCN1CCC2(CC1)C[C@@H]2NC(=O)C[C@@H]1CC(=O)NC1=O 1017003755 OGIPDYMDBPHRSN-NEPJUHHUSA-N 303.362 -0.357 30 20 DBED C#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)CC[C@H]1NC(=O)NC1=O 1018249345 NPRWOJBEQZSACO-GRYCIOLGSA-N 304.350 -0.717 30 20 DBED C=CCN1CC[C@H](N[C@H]2CCN(C(=O)C3=COCCO3)C2)C1=O 1018459469 JYFAIZYTTFYRMJ-STQMWFEESA-N 321.377 -0.148 30 20 DBED Cn1[nH]c(CN[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)nc1=O 1018731185 PUPZKUFIHVPTCU-JTQLQIEISA-N 315.337 -0.688 30 20 DBED C#CCCN1CCC[C@H](CNC(=O)c2nnc(O)nc2O)C1 1023468019 HGZWVTSTVQTXJP-SNVBAGLBSA-N 305.338 -0.252 30 20 DBED CCc1oncc1C(=O)N[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1O 1023742275 PJLWMHNEYLVEKX-FBIMIBRVSA-N 306.322 -0.302 30 20 DBED C#CCN1CCC(C(=O)NC[C@H]2CCCCN2CC(N)=O)CC1 1024813318 YYWCWAQYSDAHJA-OAHLLOKOSA-N 320.437 -0.212 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)[C@]3(C)CCNC3=O)C2)C1=O 1030946269 FUDYXTDOEMZDMZ-MLGOLLRUSA-N 320.393 -0.900 30 20 DBED C=CCn1cc(C(=O)NCC2CN([C@@H]3CCN(C)C3=O)C2)nn1 1032035051 LUTVNBOOULWQAK-CYBMUJFWSA-N 318.381 -0.644 30 20 DBED N#CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCc2nnnn2CC1 1032639762 PHHZWBCDXYTFTB-WOPDTQHZSA-N 301.354 -0.566 30 20 DBED CN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CCN([C@H]2CCNC2=O)C1 1032988133 YXOLCCCBOHUVLO-AAEUAGOBSA-N 301.350 -0.079 30 20 DBED C#Cc1cncc(C(=O)NC[C@@H]2CN(CC(=O)NC)CCO2)c1 1035498449 BAXSYCJBJCCZDJ-CQSZACIVSA-N 316.361 -0.761 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H](NCC(N)=O)[C@H](C)C2)nn1 1036219579 PSIVESPJXYIBKF-MNOVXSKESA-N 306.370 -0.610 30 20 DBED C[C@@H]1CN(C(=O)CN2C(=O)NC(=O)C2(C)C)CC[C@H]1NCC#N 1036247963 QOFAEHLHNGEWPB-GHMZBOCLSA-N 321.381 -0.333 30 20 DBED C#CCN[C@@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C[C@H]1CC 1037947072 PQEYRKUONQLKPR-DGCLKSJQSA-N 305.378 -0.111 30 20 DBED C#CCN1CCC(C(=O)NC[C@H]2CCN2[C@H](CC)C(N)=O)CC1 1039042227 NSGIEHZDFUZEJU-HUUCEWRRSA-N 320.437 -0.214 30 20 DBED O=C(C#CC1CC1)NC[C@@]1(O)CCN(C(=O)c2ncc[nH]2)C1 1039681197 VWOJDDRZEQFQRU-HNNXBMFYSA-N 302.334 -0.484 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@]1(O)CCN(C(=O)C#CC(C)C)C1 1039721371 KJSPKLWCPFJZLF-YOEHRIQHSA-N 320.389 -0.236 30 20 DBED C=CCN1[C@H]2CCC[C@H]1CN(C(=O)CN1C(=O)CNC1=O)C2 1039995669 REIHFEJPQSDANG-RYUDHWBXSA-N 306.366 -0.211 30 20 DBED Cc1ncc(CC(=O)NC[C@@]2(O)CCN(C(=O)[C@@H](C)C#N)C2)o1 1040116335 YPIHTTUCJZSCRI-BONVTDFDSA-N 320.349 -0.235 30 20 DBED C#CCCCC(=O)N1CC[C@@](O)(CNC(=O)c2nc[nH]n2)C1 1040548768 ZYGSWCRDLCOPSU-CQSZACIVSA-N 305.338 -0.699 30 20 DBED CN(C(=O)Cn1cnnn1)C1CN(Cc2cccc(C#N)c2)C1 1042459982 LFUJFURNZUQKRQ-UHFFFAOYSA-N 311.349 -0.112 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)[C@@H](OC)C2CC2)C1 1043039362 FODHLFIHYGDTRG-YPMHNXCESA-N 324.377 -0.861 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)[C@@H]2CO[C@@H](C)C2)C1 1043624972 MBMYBTKUQHZIDE-RYUDHWBXSA-N 312.366 -0.697 30 20 DBED N#Cc1nccc(N2C[C@H](O)[C@H](NC(=O)[C@@]3(F)CCOC3)C2)n1 1044425235 CSYLVVJLDHJDBX-ISTVAULSSA-N 321.312 -0.857 30 20 DBED CC[C@H](F)C(=O)NCC1(O)CN(C(=O)c2ccc(C#N)[nH]2)C1 1044802127 VKZQYIKCQGUHSC-JTQLQIEISA-N 308.313 -0.062 30 20 DBED Cn1c(O)ncc(C(=O)NC2(C)CCN(CC#N)CC2)c1=O 1045521208 PTAFLKDQTSSUCU-UHFFFAOYSA-N 305.338 -0.406 30 20 DBED CCn1nnc(C)c1C(=O)N1CC(O)(CNC(=O)[C@H](C)C#N)C1 1045551651 KOCDSYOSQWVJPH-SECBINFHSA-N 320.353 -0.931 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)c2cn(CC)nn2)C1 1045577998 ONYAUVKKPMELJT-UHFFFAOYSA-N 319.365 -0.595 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)c2cnc(OC)nc2)C1 1045685501 DRGCOSLTFNILAO-UHFFFAOYSA-N 320.349 -0.246 30 20 DBED Cc1ccn(CC(=O)N2CCN([C@@H]3CCN(CC#N)C3)CC2)n1 1046063488 PHGMOAPKTZLRLQ-OAHLLOKOSA-N 316.409 -0.066 30 20 DBED Cc1cnc2nc(C(=O)N(C)[C@H]3CN(CC#N)C[C@@H]3O)nn2c1 1047422009 YIRBOJIPMWIBMN-QWRGUYRKSA-N 315.337 -0.927 30 20 DBED CN(C(=O)Cc1cn(C)nc1Cl)[C@H]1CN(CC#N)C[C@@H]1O 1047525448 LEWPADWBKDQUBH-QWRGUYRKSA-N 311.773 -0.357 30 20 DBED C#CCN1C[C@H]2CN(C(=O)[C@@H]3CC(=O)N(CCOC)C3)C[C@H]2C1 1048849711 SUMWFIUHAOFETL-KFWWJZLASA-N 319.405 -0.495 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)COCC(F)F)C1 1049107657 GAPIWFOCOJYZSX-UTLUCORTSA-N 319.308 -0.542 30 20 DBED N#CCN1CCC2(CC1)CN(C(=O)[C@@H]1CCS(=O)(=O)N1)C2 1050758314 GIPLIAZOZGHSLE-NSHDSACASA-N 312.395 -0.874 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)c1cnc2n1CCOC2 1050964178 WNNUIJMHIGNIAS-GFCCVEGCSA-N 304.350 -0.523 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)c1nc2ncc(C)cn2n1 1050973599 HCFHBHONDQGBGY-LBPRGKRZSA-N 314.349 -0.503 30 20 DBED C=CCN1CCOC[C@@H]1CNC(=O)[C@@H]1CN2CC3CC2(CO1)C3 1051038238 RJJAHGBRJVBLJH-GWUWNPHMSA-N 321.421 -0.147 30 20 DBED CC#CCN1CCOC[C@H]1CNC(=O)c1cn(C)nc1OC 1051054953 ADZZYYVIZJAOAM-GFCCVEGCSA-N 306.366 -0.117 30 20 DBED N#CCN1CCOC[C@@H]1CNC(=O)[C@@H]1CCCCN1C(N)=O 1051201782 UTKAUICOPGKXMR-RYUDHWBXSA-N 309.370 -0.740 30 20 DBED CC#CCN1CCOC[C@@H]1CNC(=O)c1cccn(C)c1=O 1051216721 LGZSTWKGJYFWQI-ZDUSSCGKSA-N 303.362 -0.161 30 20 DBED C#CCC1(C(=O)N2C[C@H](CNC(=O)C(N)=O)[C@@H](C)C2)CCC1 1052747900 RBGFSNRFRZTEHJ-RYUDHWBXSA-N 305.378 -0.124 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC2(C1)CN([C@H](C)c1nncn1C)C2 1053192219 YKKASYGBOQCIJV-NWDGAFQWSA-N 318.381 -0.051 30 20 DBED C#CCN1CC2(C1)CN(C(=O)C[C@H]1CCC(=O)NC1)CCO2 1053285931 RBJWJQBWJOADHM-CYBMUJFWSA-N 305.378 -0.551 30 20 DBED C#CCN1CC2(C1)CN(C(=O)c1cnn3ncccc13)CCO2 1053289286 XDSPZECMQNBXEW-UHFFFAOYSA-N 311.345 -0.111 30 20 DBED C=C(C)CN1CC2(C1)CN(C(=O)c1cc(=O)n(C)cn1)CCO2 1053291135 AGNNBYVHAATRLM-UHFFFAOYSA-N 318.377 -0.117 30 20 DBED C#CCN1CC2(CC[C@H](CNC(=O)c3cc[n+]([O-])cc3)O2)C1 1053567821 GAVDWMUXRUVUBK-CQSZACIVSA-N 301.346 -0.084 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)CN3CCOCC3)CO2)C1 1053781176 DATFAHMYXCTZBE-AWEZNQCLSA-N 307.394 -0.699 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)[C@H]3OCCO[C@H]3C)CO2)C1 1053836894 ULMSPIHMJKSXSJ-MJBXVCDLSA-N 308.378 -0.227 30 20 DBED NC(=O)C(=O)N[C@H]1COC2(C1)CN(CC#Cc1ccccc1)C2 1053911900 PJSTYNHNJSCJTF-CQSZACIVSA-N 313.357 -0.517 30 20 DBED C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2COC3(C2)CN(CC#N)C3)C1 1053948007 DNUOOMRWAGXJIY-CHWSQXEVSA-N 320.393 -0.272 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)[C@H]3CCN(C(C)=O)C3)CO2)C1 1053995034 SOYRFZWGZRAZTK-GJZGRUSLSA-N 319.405 -0.162 30 20 DBED Cc1cc(=NC[C@@H]2CN(C(=O)C(N)=O)C[C@H]2C)c(C#N)c[nH]1 1054534139 WUYBSYTZAWVUNZ-BXKDBHETSA-N 301.350 -0.325 30 20 DBED Cc1cc(=N[C@@H]2CCN(C(=O)[C@H]3CCC(=O)N3)C2)c(C#N)c[nH]1 1056590680 CSKICJGUVOPZGA-CHWSQXEVSA-N 313.361 -0.025 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)[C@H]1CCN(C)C1 1057524946 YBDWPVULYJRAIH-AWEZNQCLSA-N 309.410 -0.465 30 20 DBED O=C(Cc1cnc[nH]1)NCCN(CCO)C(=O)C#CC1CC1 1057536403 WKOSCRRAJPOGJJ-UHFFFAOYSA-N 304.350 -0.697 30 20 DBED C=C[C@H](C)[C@@H](C)C(=O)N(CCO)CCNC(=O)c1nc[nH]n1 1058435656 ONYLKVPTIVHDEY-WDEREUQCSA-N 309.370 -0.186 30 20 DBED C[C@@H](Cc1cnc[nH]1)C(=O)NCCN(CCO)C(=O)[C@H](C)C#N 1058659239 VSNRPMQQPLMMMU-NWDGAFQWSA-N 321.381 -0.315 30 20 DBED N#Cc1nccnc1N[C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 1059049261 INEMLOPURMBTDR-WCBMZHEXSA-N 301.310 -0.958 30 20 DBED N#Cc1nccc(N2CCC[C@@H]2CNC(=O)[C@H]2CCC(=O)N2)n1 1061328839 YDPSCLPLYXSROJ-GHMZBOCLSA-N 314.349 -0.288 30 20 DBED CC(C)C#CC(=O)NC[C@H]1COCCN1C(=O)[C@H](C)CC(N)=O 1061568976 VRCZTTBUNBSNIU-OLZOCXBDSA-N 323.393 -0.499 30 20 DBED CN(C)CCC(=O)N1CCOC[C@@H]1CNC(=O)C#CC1CC1 1061571777 GZYFTYWAPMJBBN-AWEZNQCLSA-N 307.394 -0.305 30 20 DBED C=CCCC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1CCN(C)C1=O 1061783798 ANOHADMTRTXBID-STQMWFEESA-N 323.393 -0.226 30 20 DBED CN(C(=O)c1cn(C)nn1)[C@@H]1CCN(c2nccnc2C#N)C1 1062924454 IOQNWWNNHJBABE-SNVBAGLBSA-N 312.337 -0.172 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)[C@@]2(C)CNC(=O)C2)CCC1 1063679938 YYULFLOVGQDLLE-IINYFYTJSA-N 306.366 -0.173 30 20 DBED C=C[C@](C)(O)CC(=O)NC1(CNC(=O)[C@H]2CCNC2=O)CCC1 1063908433 XCAJXWPZHQANCL-NHYWBVRUSA-N 323.393 -0.395 30 20 DBED Cc1ccc(C#N)c(N2C[C@H]3C[C@H]2[C@H]3NC(=O)Cn2ncnn2)n1 1064298134 SVPSOOBDVDCVSR-DYEKYZERSA-N 324.348 -0.358 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)[C@@H]2CN(C)CCO2)CCC1 1064301982 BFOCYDOYUNBWKZ-NEPJUHHUSA-N 308.382 -0.368 30 20 DBED C=C[C@@](C)(O)CC(=O)NC1(CNC(=O)[C@H]2C[C@H]2C(N)=O)CCC1 1064559517 LHPCAEKKBWDMHL-JRPNMDOOSA-N 323.393 -0.410 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCO[C@@H](CNC(=O)c2ncc[nH]2)C1 1065278270 HRJDIQCUHVRJFJ-RYUDHWBXSA-N 322.365 -0.042 30 20 DBED Cc1nc[nH]c1CC(=O)N1CCO[C@H](CNC(=O)[C@H](C)C#N)C1 1065411465 UBAFOVYMNAGHQA-ZYHUDNBSSA-N 319.365 -0.236 30 20 DBED Cc1cc(=NC[C@@H]2CN(C(=O)CC(N)=O)CCO2)c(C#N)c[nH]1 1066607531 QYIAWQQROBPYGT-GFCCVEGCSA-N 317.349 -0.802 30 20 DBED N#Cc1cncc(N2C[C@H]3C(CNC(=O)c4nc[nH]n4)[C@@H]3C2)n1 1068181064 VYHUMJADJLHHJH-QWRGUYRKSA-N 310.321 -0.421 30 20 DBED C#CCCCCCC(=O)N1CC2(C[C@@H](NC(=O)C(N)=O)CO2)C1 1068992133 GJIVWLZHAHWXFD-GFCCVEGCSA-N 321.377 -0.459 30 20 DBED CCNC(=O)CC(=O)N1CC2(C[C@H](NC(=O)[C@H](C)C#N)CO2)C1 1069004664 YFCJEZLKEIBTSW-MNOVXSKESA-N 322.365 -0.842 30 20 DBED C#CCO[C@H](C)C(=O)NC1(CC)CCN(C(=O)CC(N)=O)CC1 1069265050 BGORTHLYFXEYRV-GFCCVEGCSA-N 323.393 -0.213 30 20 DBED C=CCN1CCn2ncc(CNC(=O)[C@H]3COC(=O)N3)c2C1 1069859258 MNGYEYXQOAEWDF-LLVKDONJSA-N 305.338 -0.391 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@H](C)n2cccn2)C[C@@H]1n1ccnn1 1070155140 YWGWDVFHJAJTIB-MJBXVCDLSA-N 313.365 -0.290 30 20 DBED CC(C)C#CC(=O)N1CCC[C@@H](NC(=O)[C@@H]2COC(=O)N2)C1 1070703073 DMFSVRDSZDGFAN-NEPJUHHUSA-N 307.350 -0.139 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)C4=COCCO4)C[C@@]3(C1)O2 1070753146 LTSVRYPTWYKIBF-WOSRLPQWSA-N 304.346 -0.191 30 20 DBED CN1C(=O)CC[C@@H]1C(=O)N1C[C@@H]2C[C@@H]3CN(CC#N)C[C@]2(C1)O3 1070841777 SMUHRSPQHOBUNG-VPWBDBDCSA-N 318.377 -0.568 30 20 DBED C=C(C)CN1CC[C@@]2(C1)CN(C(=O)Cn1ncnn1)C[C@H](C)O2 1071169570 TZWSEMQWZIFBRD-DZGCQCFKSA-N 320.397 -0.059 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(C(=O)C(C)(C)F)C[C@H]1C 1071453499 WABZVJKEKWRFEV-GHMZBOCLSA-N 311.357 -0.163 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CN(C(=O)CSCC#N)C[C@@H]1C 1071656997 YEGHGBCIQLOIJS-VHSXEESVSA-N 312.395 -0.658 30 20 DBED CC(C)C#CC(=O)N[C@H]1CN(C(=O)C2(NC(N)=O)CC2)C[C@@H]1C 1071926461 YHWGKFVKEJRTDM-RYUDHWBXSA-N 320.393 -0.190 30 20 DBED C#CCCN1C[C@H](NC(=O)c2cn(CC(N)=O)nn2)CC[C@@H]1C 1072099348 PRIWSTBXFJVXOQ-NWDGAFQWSA-N 318.381 -0.631 30 20 DBED C=CCOCC(=O)NC1(C)CCN(C(=O)CC(=O)NC)CC1 1072972707 LXWIMHQRZVSZSC-UHFFFAOYSA-N 311.382 -0.178 30 20 DBED CC(=O)N1CCOC[C@@H]1C(=O)N1CC2(CCN(CC#N)C2)C1 1073443303 JKMKCBFNALAEQP-CYBMUJFWSA-N 306.366 -0.708 30 20 DBED CC#CCN1CCCO[C@H](CNC(=O)c2ccc(C(N)=O)[nH]2)C1 1073766928 SCNVOUXCJLBZMZ-GFCCVEGCSA-N 318.377 -0.042 30 20 DBED C#CCN1CCC(C(=O)NC[C@H]2CN(CCO)CCCO2)CC1 1073899510 VVSDOSPWMDSMJW-INIZCTEOSA-N 323.437 -0.469 30 20 DBED C#CCCCC(=O)N1CC[C@H](NC(=O)Cn2cnnn2)C[C@H]1C 1074808473 PPYFLTGVWYPGNQ-OLZOCXBDSA-N 318.381 -0.028 30 20 DBED C[C@@H](CCNC(=O)[C@H]1COCCO1)NC(=O)c1c[nH]c(C#N)c1 1075698134 VDQGTVGPLCYUPC-GXFFZTMASA-N 320.349 -0.074 30 20 DBED C[C@@H](CCNC(=O)c1ccc(C#N)[nH]1)NC(=O)[C@H]1COCCO1 1076177619 IQZFZSBSQHTZKJ-GXFFZTMASA-N 320.349 -0.074 30 20 DBED C=C[C@](C)(O)CC(=O)NCC[C@H](C)NC(=O)c1ncn(C)n1 1076300468 LAUCLZZWWMTLQO-HZMBPMFUSA-N 309.370 -0.233 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)c2c(O)nnc(C)c2C)C1 1077490965 AHQKWSJXQQVNIL-VXGBXAGGSA-N 304.350 -0.403 30 20 DBED C=CCOc1cccnc1C(=O)N[C@@H]1CN(C[C@@H](C)O)C[C@H]1O 1077977788 PGCICSVNUWRLGE-JHJVBQTASA-N 321.377 -0.198 30 20 DBED C[C@@H](CCNC(=O)[C@@H](C)C#N)NC(=O)c1cn(C)c(=O)nc1O 1078133601 PWFBDJLGNCPIJV-IUCAKERBSA-N 321.337 -0.730 30 20 DBED C#CCN[C@@H]1C[C@@H](NC(=O)Cn2ncn(C)c2=O)C12CCC2 1078663231 JUQAUCQKLZTVKR-VXGBXAGGSA-N 303.366 -0.768 30 20 DBED C=CCOCC(=O)N(CC)C1CN(C(=O)[C@@H]2CCC(=O)N2C)C1 1079493971 NPWDZSKYPJGQGB-ZDUSSCGKSA-N 323.393 -0.131 30 20 DBED C=CCO[C@H](C)C(=O)N1CC(N(CC)C(=O)Cn2ncnn2)C1 1079830834 XGPDUADCKGJGKV-LLVKDONJSA-N 322.369 -0.677 30 20 DBED CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)[C@]2(C)CNC(=O)C2)C1 1080420071 MTVODCDSRKIFAS-BMIGLBTASA-N 306.366 -0.268 30 20 DBED C=CC(C)(C)CC(=O)NC1(CO)CCN(C(=O)C(N)=O)CC1 1080872304 NVVSQCNJWMWKAF-UHFFFAOYSA-N 311.382 -0.456 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2cnccn2)C1 1081205638 UAKGGVJKSXWKEA-DGCLKSJQSA-N 320.349 -0.772 30 20 DBED Cc1cc(C(=O)NC[C@@H]2CN(C(=O)C#CC(C)C)C[C@H]2O)n[nH]1 1081308647 ZMPOJMHPCBTHOA-TZMCWYRMSA-N 318.377 -0.073 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)c2cnc(O)n2C)C[C@@H]1O 1081333282 QVPYFYVAMNMDRA-JQWIXIFHSA-N 322.365 -0.359 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)CCSC)C[C@@H]1O 1081345070 YDKWLKRHYAAPHW-RYUDHWBXSA-N 316.423 -0.122 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)Cc2ccon2)C[C@H]1O 1081441762 MJAAEWXLQUOXPW-GXTWGEPZSA-N 319.361 -0.044 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@H](CNC(=O)c2ncn(C)n2)C1 1081455216 JXTILUKAYHPHCT-NEPJUHHUSA-N 319.365 -0.976 30 20 DBED CNC(=O)CN1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@H](OC)C1 1081497870 HHJLVTPWOUQQLU-VXGBXAGGSA-N 305.338 -0.939 30 20 DBED Cn1cc(CN2C[C@H]3[C@@H](C2)OCCN3C(=O)C#CC2CC2)nn1 1083076828 GIPIERIASUSCBP-LSDHHAIUSA-N 315.377 -0.360 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1ccnc2ccnn12 1083102948 HEVMBGYOFVYJGV-QWHCGFSZSA-N 312.333 -0.222 30 20 DBED C=CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1ccc2nnnn2c1 1083141876 GSCNGTXULJBAOX-QWHCGFSZSA-N 314.349 -0.165 30 20 DBED C[C@@H](CC(=O)N1CCO[C@@H]2CN(CC#N)C[C@@H]21)N1CCCC1=O 1083246399 PDDBNRRZXJQXBL-MELADBBJSA-N 320.393 -0.177 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)[C@H]2CC(=O)N(CC(C)C)C2)C1 1083503104 GTIGPVAZLFENQH-MJBXVCDLSA-N 309.410 -0.162 30 20 DBED CN1C(=O)CN(CC(=O)N[C@@H]2CCCC[C@H]2NCC#N)C1=O 1085391924 BNUQVVXIDKVNQC-GHMZBOCLSA-N 307.354 -0.579 30 20 DBED C=CCCn1cc(C(=O)N(C)C[C@H]2CCN2CC(N)=O)nn1 1085863894 MFXOXBGQURQLGU-LLVKDONJSA-N 306.370 -0.514 30 20 DBED C=CCN[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1c1cnn(C)c1 1087002673 JWELKWWRYXJZCP-NWDGAFQWSA-N 301.354 -0.078 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)c3ccc(=O)n(C)n3)C[C@@H]2C1 1088192361 YRFALNVQNWKLTJ-OLZOCXBDSA-N 300.362 -0.193 30 20 DBED C#CCN1CC[C@H](NC(=O)[C@@H]2CCc3nnc(O)n3C2)[C@H]1C 1088676455 GPDKSIRMRZKHGZ-UTUOFQBUSA-N 303.366 -0.242 30 20 DBED C[C@H]1CC[C@H](NC(=O)CNC(N)=O)CN1c1ccnc(C#N)n1 1089109389 HTEQNYVEXRXLKR-UWVGGRQHSA-N 317.353 -0.510 30 20 DBED C=CCN1CC[C@@H](NC(=O)c2nc3ncc(C)cn3n2)[C@H](O)C1 1090348788 FTENEZUUPNSBPZ-VXGBXAGGSA-N 316.365 -0.216 30 20 DBED CO[C@H](C)CCC(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1O 1090402849 NWYKCYQCXLULQD-RAIGVLPGSA-N 319.365 -0.171 30 20 DBED C=C(C)CCN1CC[C@@H](NC(=O)c2ccc(=O)n(C)n2)[C@@H](O)C1 1090791549 UFLJUMUHTYCXJE-OCCSQVGLSA-N 320.393 -0.089 30 20 DBED CO[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1NC(=O)[C@@H](C)C#N 1090865289 SKYFMIDBQODSTJ-MVWJERBFSA-N 300.322 -0.172 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@@H]1O 1091092861 OOUUYIMVFGVJPF-DVOMOZLQSA-N 316.361 -0.054 30 20 DBED C[C@@]12CN(CC#N)C[C@@H]1CN(C(=O)CCn1cnccc1=O)C2 1092149700 ZDKWTDMJLQUXCP-CJNGLKHVSA-N 315.377 -0.063 30 20 DBED CC#CCN1C[C@@H](C)[C@H](CNC(=O)[C@@H]2COCCN2C(C)=O)C1 1093210166 LLCGBAWVBZSMKN-BMFZPTHFSA-N 321.421 -0.059 30 20 DBED COC(=O)NCC(=O)NC1[C@@H]2CN(c3nccnc3C#N)C[C@@H]12 1093239681 MXUBAADDXDRGLF-RKDXNWHRSA-N 316.321 -0.745 30 20 DBED CN1CCOC[C@H]1C(=O)N1CCC(OC2CN(CC#N)C2)CC1 1093528053 BORMDPWJKHVOJO-HNNXBMFYSA-N 322.409 -0.468 30 20 DBED C#Cc1ccc(C(=O)NCCNc2ncnc3c2nnn3C)nc1 1093764322 FQEXLYYOEBXDQP-UHFFFAOYSA-N 322.332 -0.024 30 20 DBED N#Cc1nc(=NCCNC(=O)[C@H]2CCn3ccnc3C2)cc[nH]1 1093959442 XWKYADMKIVEPRM-NSHDSACASA-N 311.349 -0.243 30 20 DBED N#Cc1cncc(NCCNC(=O)[C@H]2CCCN(C(N)=O)C2)n1 1093992815 LLFQNDMTICDMMZ-JTQLQIEISA-N 317.353 -0.333 30 20 DBED N#Cc1cncc(NCCCNC(=O)CCN2CCOCC2)n1 1094492566 QNHLHOAJLLBWJC-UHFFFAOYSA-N 318.381 -0.011 30 20 DBED C#CCCN1CC(N2C[C@H](NC(=O)Cc3ncc[nH]3)CC2=O)C1 1094803487 MXGWMYPYNPFVSG-GFCCVEGCSA-N 315.377 -0.623 30 20 DBED CC[C@@]1(C(=O)NCCCN=c2cc[nH]c(C#N)n2)CCNC1=O 1094863961 CHYCZIUUSFUUEQ-HNNXBMFYSA-N 316.365 -0.395 30 20 DBED N#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cnn2c(=O)cc[nH]c12 1096122624 FIUFUDFYBVYYJS-USWWRNFRSA-N 312.333 -0.119 30 20 DBED C[C@H](NC(N)=O)C(=O)N[C@H]1CCCN(c2ccnc(C#N)n2)C1 1096162879 SMUZKFQJPGNSFT-UWVGGRQHSA-N 317.353 -0.510 30 20 DBED COC[C@@H](OC)C(=O)NC[C@H](N=c1cc[nH]c(C#N)n1)C1CC1 1096811534 QBQPIKHWZSQRJB-NWDGAFQWSA-N 319.365 -0.262 30 20 DBED N#Cc1nc(=N[C@H]2C[C@@H](NC(=O)C(=O)NCC(F)F)C2)cc[nH]1 1097229338 VPMSMDJMMMDMKQ-OCAPTIKFSA-N 324.291 -0.789 30 20 DBED N#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H]1CCc2nnnn2CC1 1097887635 APGHVHUBJZGNKV-LOWDOPEQSA-N 315.381 -0.129 30 20 DBED COCCOCCC(=O)NC[C@H](C)N=c1cc[nH]c(C#N)n1 1097909407 DJCHWDGOBWJLIR-NSHDSACASA-N 307.354 -0.260 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCCC(=O)N1)Nc1ccc(C#N)nn1 1098117194 GAHNAIBGVRDTOQ-GXSJLCMTSA-N 302.338 -0.066 30 20 DBED C#CCN(CCO)C1CCN(C(=O)[C@@H]2CCNC(=O)CC2)CC1 1098440916 TXHCWHNYNDYRFY-AWEZNQCLSA-N 321.421 -0.179 30 20 DBED C#CCN(CCO)C1CCN(C(=O)[C@H]2CCNC(=O)CC2)CC1 1098440917 TXHCWHNYNDYRFY-CQSZACIVSA-N 321.421 -0.179 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)[C@@H]1COC(=O)N1)C[C@@H](C)O2 1098592480 NHZVFPRYFNZIML-OLZOCXBDSA-N 321.377 -0.190 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)CSC)[C@H](O)C1 1099651141 PTJQHGFRKMKCCI-WDEREUQCSA-N 301.412 -0.797 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)COc2cnn(C)c2)[C@@H](O)C1 1099969880 NUIOBQSBFWVISA-KBPBESRZSA-N 308.382 -0.074 30 20 DBED C#CCN1CC[C@H](NC(=O)CCNC(=O)C2CCC2)[C@@H](O)C1 1100031416 FARPXLHMLDEDGD-KBPBESRZSA-N 307.394 -0.523 30 20 DBED C#CCNC(=O)CC(=O)NCCN(C)c1cncc(Cl)n1 1100037714 PGXCKRNSZDWZIM-UHFFFAOYSA-N 309.757 -0.178 30 20 DBED C#CCCN1CC[C@H](NC(=O)C(=O)Nc2cc(C)on2)[C@@H](O)C1 1100110474 WGUWIRAFELRECL-RYUDHWBXSA-N 320.349 -0.504 30 20 DBED CCN(CCNC(=O)[C@H]1CN(C)C(=O)N1)c1ccc(C#N)nc1 1100696463 SZEBMIDTEALENA-CYBMUJFWSA-N 316.365 -0.081 30 20 DBED C#CCNC(=O)[C@H](C)NC1CC(CNC(=O)CN2CCCC2)C1 1100984292 CLLQFJVLSUHUBJ-NFOMZHRRSA-N 320.437 -0.296 30 20 DBED N#Cc1cnc(N2CC[C@@H](CNC(=O)C3(C(N)=O)CC3)C2)cn1 1101049166 ZRRZAJLKHINJHT-JTQLQIEISA-N 314.349 -0.444 30 20 DBED C=CCOCCN1C[C@@H](C)[C@H](CNC(=O)Cn2ncnn2)C1 1101980344 ULQRNYPRNBVELL-CHWSQXEVSA-N 308.386 -0.440 30 20 DBED CN(CCNc1cncc(C#N)n1)C(=O)[C@H]1CCC(=O)NC1 1102027787 YFNXSTIEGJBPJZ-JTQLQIEISA-N 302.338 -0.255 30 20 DBED CCS(=O)(=O)NCC(=O)NCC[C@@H]1CN(CC#N)C[C@H]1C 1103053059 SVISTAMNOIVLHD-VXGBXAGGSA-N 316.427 -0.477 30 20 DBED CC[C@@H](CNC(=O)Cn1cnnc1O)Nc1cnc(C#N)cn1 1103066277 SWKRHWIWOOZQPU-VIFPVBQESA-N 316.325 -0.348 30 20 DBED Cc1nn[nH]c1C(=O)NC[C@H](C)CN=c1cc[nH]c(C#N)n1 1104149765 IGUXLBJTUXNAGK-MRVPVSSYSA-N 300.326 -0.325 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(c2nccnc2C#N)CCO1 1104298571 SDSTWVPPWPAMFF-LBPRGKRZSA-N 317.349 -0.128 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)C(C)(C)C(N)=O 1104705155 NCZOHNVLAUHPOW-VIFPVBQESA-N 304.354 -0.460 30 20 DBED C[C@@H]1CN(C(=O)CN2C(=O)CN(C)C2=O)C[C@H]1CCNCC#N 1104987243 NYTCWUHGHATOPG-VXGBXAGGSA-N 321.381 -0.522 30 20 DBED COC[C@H](C)NCc1cn(C2CN(C(=O)[C@@H](C)C#N)C2)nn1 1105189934 NXYRVSBAGXVYNR-QWRGUYRKSA-N 306.370 -0.054 30 20 DBED C#CCN1CC(OC2CCN(C(=O)CNC(=O)C3CC3)CC2)C1 1105691507 RMEVCDGTZRZQJW-UHFFFAOYSA-N 319.405 -0.162 30 20 DBED Cc1cc(C#N)nc(NC[C@H](O)CNC(=O)c2cc[nH]n2)n1 1105767124 JURHKPLRDUMKOZ-SNVBAGLBSA-N 301.310 -0.417 30 20 DBED Cc1nc(CC(=O)NC[C@@H](O)CNc2ccc(C#N)nc2)n[nH]1 1105827281 QXDLBUUZESRRNR-LBPRGKRZSA-N 315.337 -0.489 30 20 DBED COCCOCCC(=O)NC[C@H](O)CNc1nccnc1C#N 1105881160 SGOUGQFLHKJLSC-NSHDSACASA-N 323.353 -0.710 30 20 DBED Cc1n[nH]c(C)c1C(=O)NC[C@@H](O)CNc1cnc(C#N)cn1 1105932405 ITUMLPQAPLNGHZ-NSHDSACASA-N 315.337 -0.109 30 20 DBED C[C@H](CCNc1cnc(C#N)cn1)NC(=O)CCn1cnnn1 1106418303 GNSZCNOVLMROKA-SNVBAGLBSA-N 315.341 -0.268 30 20 DBED C[C@H](CCNc1ccc(C#N)nn1)NC(=O)[C@H]1CNC(=O)N1 1106543002 MWMYPKBPAQYOTR-PSASIEDQSA-N 303.326 -0.664 30 20 DBED CCNC(=O)CCC(=O)N(CC)CCN=c1cc[nH]c(C#N)n1 1106700484 OFOYQLFJJIOXRY-UHFFFAOYSA-N 318.381 -0.053 30 20 DBED C=CCCN1CC(n2cc(CNC(=O)CNC(=O)OC)nn2)C1 1107136968 LUEXILRVLVMVQB-UHFFFAOYSA-N 322.369 -0.317 30 20 DBED C[C@H](CNc1ccc(C#N)nn1)NC(=O)CCn1ccnn1 1107695602 NNWGKHSMDGHPJX-SNVBAGLBSA-N 300.326 -0.053 30 20 DBED CNC(=O)C1(C(=O)N[C@H](C)CNc2ccc(C#N)nn2)CC1 1107830163 ZIHBBBHJKAPJRB-SECBINFHSA-N 302.338 -0.209 30 20 DBED C[C@@H](CN=c1cc[nH]cc1C#N)NC(=O)[C@@H]1CCCS1(=O)=O 1108405845 VRRGZEWTGUNROI-GWCFXTLKSA-N 322.390 -0.131 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)COC3CCCC3)CC2=O)C1 1108514139 YNLDIMKUTJQCAB-CYBMUJFWSA-N 319.405 -0.020 30 20 DBED C#CCCN1CC(N2C[C@H](NC(=O)[C@@H](C)OCC#C)CC2=O)C1 1108545770 FQMNYPHMWOSMBN-ZIAGYGMSSA-N 317.389 -0.551 30 20 DBED N#CCNC(=O)CN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cnco1)C2 1108736003 RNGQAGNUUWDKJQ-TUAOUCFPSA-N 317.349 -0.103 30 20 DBED C[C@@H](CNc1ccc(C#N)cn1)NC(=O)C[C@@H]1NC(=O)NC1=O 1108760328 VCLJGFPOXHKLPV-WPRPVWTQSA-N 316.321 -0.532 30 20 DBED CC(=O)N1CC(C(=O)N[C@H](C)CN(C)c2nccnc2C#N)C1 1108917987 SUWSWKQAJFWQFN-SNVBAGLBSA-N 316.365 -0.233 30 20 DBED C[C@H](CN(C)c1ccnc(C#N)n1)NC(=O)[C@]1(C)CCC(=O)N1 1109243563 ZJZWBONLSSSZRV-BMIGLBTASA-N 316.365 -0.042 30 20 DBED CC(C)(NS(C)(=O)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC#N 1109811960 XSBPBSLKZNHGJI-VWYCJHECSA-N 314.411 -0.441 30 20 DBED CNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H](C)C#N 1110394671 ISEUZHWLWQVVAG-ZDCRXTMVSA-N 307.354 -0.677 30 20 DBED C[C@]1(NC(=O)Cn2ncnn2)CCN(c2nccnc2C#N)C1 1110786081 MTWCVIAJFPJTGE-ZDUSSCGKSA-N 313.325 -0.880 30 20 DBED N#Cc1cnc(N2CC[C@](O)(CNC(=O)c3cocn3)C2)cn1 1111040015 URQQFSWMUDZCBR-AWEZNQCLSA-N 314.305 -0.293 30 20 DBED N#Cc1cnc(N2CC[C@](O)(CNC(=O)C(N)=O)C2)c(Cl)c1 1111124546 NTEOJYKQZYWEMM-ZDUSSCGKSA-N 323.740 -0.851 30 20 DBED CC(=O)NCC(=O)N(CCO)CCNc1nc(C)cc(C#N)n1 1111421821 XPMQLJLZRUQBHN-UHFFFAOYSA-N 320.353 -0.974 30 20 DBED CC1(Nc2cncc(C#N)n2)CCN(C(=O)CNC(N)=O)CC1 1112344664 NXGDMTIBUBBBLT-UHFFFAOYSA-N 317.353 -0.190 30 20 DBED CC(=O)NCC(=O)N[C@H]1CCN(c2ccnc(C#N)n2)C[C@H]1C 1112387080 AAVVXYWVFSUKFI-PWSUYJOCSA-N 316.365 -0.185 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)c3cncs3)[C@@H]2C1 1113945082 OZEUSFYULBKJBA-HBNTYKKESA-N 318.402 -0.059 30 20 DBED C[C@@H]1CCN(c2nccnc2C#N)C[C@H]1NC(=O)CC(N)=O 1114007056 CMGQBLRFYORRIL-MWLCHTKSSA-N 302.338 -0.445 30 20 DBED C=CCOCC(=O)NC1[C@@H]2CN(Cc3ncnn3CCF)C[C@@H]12 1114054330 NIGXPCNJFGTMJY-VXGBXAGGSA-N 323.372 -0.003 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)CC(C)(C)O)[C@@H]2C1 1114211985 FBMGWTZFXXRQRD-QJPTWQEYSA-N 307.394 -0.668 30 20 DBED C#CCC1(C(=O)NC2[C@@H]3CN([C@@H](C)C(N)=O)C[C@@H]23)CCOCC1 1114394344 AGECMDFEEDPMJF-YNEHKIRRSA-N 319.405 -0.273 30 20 DBED CC(=O)NCC(=O)N[C@H]1CN(c2nccnc2C#N)CC1(C)C 1114419597 NOGMEHMVEVZSOG-LBPRGKRZSA-N 316.365 -0.185 30 20 DBED N#Cc1ccc(N2C[C@H]3[C@H](CNC(=O)Cn4nccn4)[C@H]3C2)nn1 1114579950 FBBLLIMPIRHCFY-XYYAHUGASA-N 324.348 -0.562 30 20 DBED Cc1nsc(N2C[C@H]3C(CNC(=O)C(N)=O)[C@@H]3C2)c1C#N 1114620585 SRNZRDJZXYUUHN-UWVGGRQHSA-N 305.363 -0.393 30 20 DBED C#CCN1C[C@H]2C(NC(=O)CCc3c(C)nc(O)nc3O)[C@@H]2C1 1114647421 HWYGSFWNPMUVRK-VXGBXAGGSA-N 316.361 -0.192 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)[C@H](C)OCCOC)[C@H]2C1 1114918505 DFPDFCDRHBFQCU-BYNSBNAKSA-N 310.394 -0.266 30 20 DBED C#CCN1C[C@H]2[C@H](NC(=O)CC(=O)NCC(F)(F)F)[C@H]2C1 1115046404 LTYRLZCVLUQUAJ-GDGBQDQQSA-N 303.284 -0.265 30 20 DBED C=C(C)CN1C[C@@H]2C(NC(=O)CN(C)S(=O)(=O)CC)[C@H]2C1 1115049367 KKMLOOUEJZQKHA-RYUDHWBXSA-N 315.439 -0.110 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)N[C@H]2CCc3n[nH]cc3C2)C1 1118212112 YQVJWSPSQLEKJI-NHYWBVRUSA-N 317.349 -0.740 30 20 DBED COC[C@@H]1CCCCN1C(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1118250965 ZLMGZROWHQPIKA-WFASDCNBSA-N 309.366 -0.109 30 20 DBED C=CCCN(C)c1nnnn1CC1CN(S(C)(=O)=O)C1 1120180798 IIOPVBCJJREDML-UHFFFAOYSA-N 300.388 -0.423 30 20 DBED Cc1ccc(C(=O)NC[C@@H](CO)N=c2cc[nH]c(C#N)n2)cn1 1121050759 SJOXMEVLFKNSRY-LBPRGKRZSA-N 312.333 -0.324 30 20 DBED Cc1nnsc1C(=O)NC[C@H](CO)Nc1ccc(C#N)nn1 1121057040 YXDQXHBOZSADEI-SECBINFHSA-N 319.350 -0.289 30 20 DBED N#Cc1nccnc1N[C@H](CO)CNC(=O)C[C@H]1CCCO1 1121100193 PWOZWYHWKXOHMW-WDEREUQCSA-N 305.338 -0.194 30 20 DBED N#Cc1nc(=N[C@H](CO)CNC(=O)/C=C/c2ccc[nH]2)cc[nH]1 1121359997 PFJXTUCDFOWXSX-PCAWENJQSA-N 312.333 -0.299 30 20 DBED C=CCn1c(-c2ncnn2C)nnc1N1CC(=O)N(C)C[C@H]1C 1121625048 BERZLFCLIVTLEC-SNVBAGLBSA-N 316.369 -0.074 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H](CO)Nc1nccc(OC)n1 1122034776 DNZOYVMWKYBEGJ-WDEREUQCSA-N 308.338 -0.588 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)CCCCC(N)=O)nn1 1122044875 KYHAAZXFDXEZQZ-NSHDSACASA-N 320.353 -0.717 30 20 DBED N#Cc1c[nH]ccc1=N[C@H](CO)CNC(=O)CCc1cnn[nH]1 1122584680 KGBADPQPSRRFNY-LBPRGKRZSA-N 315.337 -0.985 30 20 DBED C#CCNC(=O)CC(=O)NCCNCc1nnc(C)n1CCC 1125978578 UEKAHZCUUQPKBQ-UHFFFAOYSA-N 320.397 -0.658 30 20 DBED COCCN(CCNC(=O)c1nc[nH]n1)c1ccnc(C#N)n1 1126385106 YVKRMGNKFPJORH-UHFFFAOYSA-N 316.325 -0.651 30 20 DBED C[C@H](C(N)=O)N1CCn2ncc(CNC(=O)C#CC3CC3)c2C1 1128346635 AHHJWHCZTGSHAJ-LLVKDONJSA-N 315.377 -0.398 30 20 DBED C#CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H](C)COC)C1 1128807187 NJHUQLKDHWYMOZ-MCIONIFRSA-N 305.382 -0.075 30 20 DBED C[C@H](C#N)C(=O)NCc1nc([C@H]2CCO[C@H]2CNCCO)n[nH]1 1130203223 UFIPQYJPNPHMHF-VWYCJHECSA-N 322.369 -0.965 30 20 DBED C#CCN1CCOC[C@H]1c1n[nH]c(CNC(=O)[C@H](CC)OC)n1 1130835742 QKICNVMCZYZHAX-RYUDHWBXSA-N 321.381 -0.148 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@H]1Cc2ccccc2O1 1131021701 KTNJMSSKBTWTSI-CQSZACIVSA-N 301.346 -0.555 30 20 DBED C=CCN1C[C@H]2C[C@@H]3CN(C(=O)[C@H](C)NC(C)=O)C[C@@]3(C1)O2 1131177865 NAQFAQJXJBZLPH-ADSMDIBLSA-N 307.394 -0.001 30 20 DBED C[C@@H]1CCc2n[nH]cc2[C@@H]1C(=O)NCCNCC(=O)NCC#N 1131513526 HBTYZNACQHJNMK-QMTHXVAHSA-N 318.381 -0.579 30 20 DBED CCO[C@@H](C(=O)NCCNCC(=O)NCC#N)C1CCCC1 1131894010 XEZPVAVPWRZVJA-CQSZACIVSA-N 310.398 -0.073 30 20 DBED C#CCOCCC(=O)N[C@H]1CC[C@H](C)N(CC(=O)NCC#N)C1 1132041771 KJQXMVWMMKOYRE-KBPBESRZSA-N 320.393 -0.365 30 20 DBED C#CCCN1C[C@H](NC(=O)CN(C)S(C)(=O)=O)CC[C@@H]1C 1132079315 WQHAOXCHPHIEFM-QWHCGFSZSA-N 315.439 -0.130 30 20 DBED C[C@@H]1CC[C@@H](NC(=O)COCc2ncnn2C)CN1CC#N 1132392819 QQHFXZMQZNLLDT-VXGBXAGGSA-N 306.370 -0.176 30 20 DBED C[C@@H](C[C@H](C)NC(=O)C1CCOCC1)NCC(=O)NCC#N 1133530696 SCGUGTXCMUYMBT-RYUDHWBXSA-N 310.398 -0.074 30 20 DBED C=CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)CNC(=O)CC 1133969608 NEULFELZFGLAPW-VXGBXAGGSA-N 312.414 -0.312 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1cc(COC)on1 1134911334 TYLHYYWUNHFASO-JTQLQIEISA-N 308.338 -0.722 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)[C@@H]1[C@H]2COC[C@H]21 1135230516 OLSWQUREPKSAEN-GGAZOKNXSA-N 307.394 -0.499 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)[C@@]1(F)CCOC1)C2 1148137947 JOAURVVKQFTAMS-MRXNPFEDSA-N 323.368 -0.601 30 20 DBED C=CCOCC(=O)NC[C@H]1CN([C@@H](C)C(=O)NC)CCCO1 1149384751 WTZLDIUVPWNIBP-STQMWFEESA-N 313.398 -0.469 30 20 DBED Cn1cc(CCC(=O)NC[C@@H]2CN(CC#N)CCCO2)nn1 1150842853 ZHLGPQFDOMGSLM-CYBMUJFWSA-N 306.370 -0.522 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)[C@H](C)n1cncn1 1152899614 IEZJXZNVGCQVAW-NEPJUHHUSA-N 321.385 -0.695 30 20 DBED COCc1ncc(C(=O)NCCNCC(=O)NCC#N)s1 1153766631 XGQPYSYZNHPKAI-UHFFFAOYSA-N 311.367 -0.751 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)Cc1nonc1C 1156119403 GGXCOQQBBAZSLE-LLVKDONJSA-N 321.381 -0.503 30 20 DBED C[C@H](NCCCNC(=O)C#CC1CC1)C(=O)NC(=O)NC1CC1 1157710524 CWYWJLOJFMCUHX-NSHDSACASA-N 320.393 -0.128 30 20 DBED C[C@H]1C[C@@H](C(=O)NCCC2(CNCC(=O)NCC#N)CC2)CO1 1165834629 BULJDAQXWPGNGU-QWHCGFSZSA-N 322.409 -0.073 30 20 DBED C#CCNCCCCCCNC(=O)c1cn(C)c(=O)n(C)c1=O 1179736052 SPUMMFACOGDBTF-UHFFFAOYSA-N 320.393 -0.403 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)C[C@@H]2CCC(=O)NC2)C1 1183214229 PAPBYTBRTUPOLB-QWHCGFSZSA-N 322.409 -0.605 30 20 DBED N#CCNC(=O)CN[C@@H]1CCN(C(=O)Cc2cncs2)C1 1183458083 TZXKBGCXEKXFFI-SNVBAGLBSA-N 307.379 -0.484 30 20 DBED C[C@H]1CN(C(=O)CN2CCC(=O)NC2=O)CC[C@@H]1CNCC#N 1185446336 LUQVIRSQVLVXAK-NWDGAFQWSA-N 321.381 -0.474 30 20 DBED CC#CCNC[C@@H]1CCN(C(=O)Cn2c(O)nnc2O)C[C@@H]1C 1185572963 LGRMUSULPVJUJT-RYUDHWBXSA-N 321.381 -0.213 30 20 DBED C#CCNC[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)C[C@H]1C 1185641842 ROBAIPRVFPPYDP-VXGBXAGGSA-N 306.366 -0.754 30 20 DBED C#CCN[C@H]1CCO[C@@H](C2CCN(C(=O)CNC(N)=O)CC2)C1 1186053790 ZGMPCSIJKFQMKP-UONOGXRCSA-N 322.409 -0.336 30 20 DBED C#CCCN[C@@H]1CCO[C@@H](C2CCN(C(=O)C(N)=O)CC2)C1 1186084888 KAELTXCOLBLBIC-ZIAGYGMSSA-N 307.394 -0.129 30 20 DBED COCC#CCN1C[C@@H]2CCN(C(=O)[C@H](C)NC(C)=O)[C@@H]2C1 1186764555 UPAYYZSNVWOPRP-AEGPPILISA-N 307.394 -0.307 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2n[nH]c(C)c2C)C1 1189447166 BLWKYNNPVAMYGC-CYBMUJFWSA-N 317.393 -0.078 30 20 DBED COCC#CCN(C)[C@@H]1CCN(C(=O)CCn2ccnn2)C1 1189836623 JRHJGTMEDVYVJA-CQSZACIVSA-N 305.382 -0.149 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2cnc(C)s2)C1 1191530083 KOUICXBDFOETGO-GHMZBOCLSA-N 324.406 -0.471 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN([C@H](C)c2cnccn2)C[C@H]1O 1192885907 HCADGSCYXSUESE-BPLDGKMQSA-N 318.377 -0.261 30 20 DBED C[C@@H]1OCCC[C@@H]1C(=O)N1CCCN(CC(=O)NCC#N)CC1 1195659592 IERIPPPWUNCYHJ-KBPBESRZSA-N 322.409 -0.024 30 20 DBED C=CCCCC(=O)N[C@@H]1CN(C[C@H](O)Cn2cccn2)C[C@H]1O 1195725853 QHUONSQFCIRBEN-RRFJBIMHSA-N 322.409 -0.238 30 20 DBED C[C@@H]1[C@H](C(=O)N2CCCN(CC(=O)NCC#N)CC2)CCN1C 1195893201 AZMOJKXCZVFKAA-ZIAGYGMSSA-N 321.425 -0.499 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H](CC)CC(C)C)C1 1197574807 GWOGQWHHKAOTHV-RBSFLKMASA-N 323.437 -0.031 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)C2(C(=O)NC)CCC2)C1 1197996733 GCTGAUAQNKLMQE-GHMZBOCLSA-N 315.801 -0.184 30 20 DBED C=CCNC[C@H]1CN(C(=O)CN2CCCNC2=O)CCCO1 1200879726 BZIJBEJKYRYVGF-ZDUSSCGKSA-N 310.398 -0.205 30 20 DBED CC1CCN(C(=O)C(=O)N2CCCO[C@@H](CNCC#N)C2)CC1 1201575859 DSHBJOMTOXTMHL-AWEZNQCLSA-N 322.409 -0.024 30 20 DBED C#CCNC[C@H]1CN(C(=O)[C@H]2CCC(=O)N(C)C2)CCCO1 1202155476 ZFAKJCAVSXODTG-KBPBESRZSA-N 307.394 -0.305 30 20 DBED COCC#CCN[C@H]1C[C@H](NC(=O)C2(C(N)=O)CC2)C12CCC2 1203339826 KCGHLAJVEKGZMW-STQMWFEESA-N 319.405 -0.081 30 20 DBED Cn1cnnc1COCC(=O)N[C@H]1C[C@@H](NCC#N)C12CCC2 1203555107 IMJZHAOWAVEZRO-NEPJUHHUSA-N 318.381 -0.128 30 20 DBED C#CCNC(=O)[C@H](C)NC1CCN(C(=O)[C@@H]2CCN(C)C2)CC1 1203699356 IQHAHSMDJBSETM-UONOGXRCSA-N 320.437 -0.343 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)CN2CCCC2)CC1 1203704922 HCHCLGYYMFHBJG-UHFFFAOYSA-N 308.426 -0.035 30 20 DBED CC#CCNCC1CCN(C(=O)C[C@H]2CC(=O)NC2=O)CC1 1206978819 UDGYCOUPLXXZFL-CYBMUJFWSA-N 305.378 -0.109 30 20 DBED CC#CCN1C[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)CC)[C@H](C)C1 1207043989 BBLTULTVMLVOLP-JHJVBQTASA-N 315.439 -0.226 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCCN(C(=O)c2cnn[nH]2)C1 1208486234 GTSLZLOELVIVHT-QWRGUYRKSA-N 304.354 -0.863 30 20 DBED N#CCNC(=O)CN[C@H]1CCCN(C(=O)CCc2cn[nH]c2)C1 1210036336 CUXIEEVSUXTULJ-ZDUSSCGKSA-N 318.381 -0.437 30 20 DBED CC#CCN[C@@H]1CCCN(C(=O)[C@@H]2CCN(C)S2(=O)=O)C1 1210060851 KSXVPGPSXOEWSV-OLZOCXBDSA-N 313.423 -0.376 30 20 DBED Cc1n[nH]c(C)c1C(=O)N1CCC[C@H](NCC(=O)NCC#N)C1 1210165919 SHORUVQXXPJBGB-LBPRGKRZSA-N 318.381 -0.139 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)[C@@H]2CCC(=O)N2)[C@H](C)C1 1210461521 PWOLQBJTDGTXKT-GRYCIOLGSA-N 308.382 -0.996 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)COCC=C)[C@H](OC)C1 1212029908 LWVGFSZNWZNKIO-CHWSQXEVSA-N 311.382 -0.693 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2cnn(C)c2)C[C@H]1OC 1212255155 FFVVYNMRNSCPIL-NWANDNLSSA-N 320.393 -0.226 30 20 DBED C[C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@H]1NCC(=O)NCC#N 1214344215 OSEATIYCNWSNRP-JHJVBQTASA-N 307.398 -0.843 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(Cc2ncc(C)cn2)C[C@@H]1O 1219364110 YGIUXCRCOREKOW-OLZOCXBDSA-N 306.366 -0.351 30 20 DBED CCCC[C@@H](C(N)=O)N1C[C@H](O)[C@H](NC(=O)C#CC(C)C)C1 1219587820 XMTWTZQDSFAWIP-RDBSUJKOSA-N 309.410 -0.149 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)[C@H](C)CC(N)=O)CC1 1224043425 VMGRFMFAUCYRFL-GFCCVEGCSA-N 322.409 -0.925 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CC(=O)N(C)C 1228990427 QBBUCMOMBXIPMH-CHWSQXEVSA-N 324.425 -0.216 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)[C@H]2CN(C)C[C@@H]2C)CC1 1229185472 MNKZNDYCSUTPBU-ZFWWWQNUSA-N 320.437 -0.486 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)c2ccncn2)CC1 1229655476 IZBBBGFFDLYSHO-UHFFFAOYSA-N 301.350 -0.580 30 20 DBED CN(C[C@H]1CCN1CC#N)C(=O)[C@H](Cn1cccn1)N(C)C 1235302641 HWPGRHIDFMAZOL-KGLIPLIRSA-N 304.398 -0.130 30 20 DBED N#CCNC(=O)CNc1ccccc1C(=O)NCCC(N)=O 1252546659 IMEMXGZXASCONZ-UHFFFAOYSA-N 303.322 -0.657 30 20 DBED C#Cc1cc(F)c(NC(=O)C(=O)NN2CC(=O)NC2=O)c(F)c1 1260403349 FOISBCGNIZHSQF-UHFFFAOYSA-N 322.227 -0.532 30 20 DBED COCCCn1ccc(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)n1 1319105057 JTWTTYSYBHXVGH-NSHDSACASA-N 321.337 -0.391 30 20 DBED C[C@H](OC(=O)Cn1ccc(O)nc1=O)C(=O)NC1(C#N)CCC1 1320652064 GNYNGVRLPYRBCX-VIFPVBQESA-N 320.305 -0.557 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)NCCCc1nc(C)no1 1322439388 BQVRSMQVJUJUAB-UHFFFAOYSA-N 302.334 -0.088 30 20 DBED C=CCN1CCC(NC(=O)C(=O)N[C@H](C)C[S@](C)=O)CC1 1322802329 IGIKVGKCMVCTTQ-FIKIJFGZSA-N 315.439 -0.364 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCC[C@@H]2CN(C)CC[C@@H]21 1323261656 MTDNKKVIUSAFOP-KGLIPLIRSA-N 307.394 -0.305 30 20 DBED N#CCNC(=O)CNC(=O)NC[C@@H]1CCC2(CCOCC2)[C@H]1O 1323413741 NGLHPLRXBRNLJL-AAEUAGOBSA-N 324.381 -0.507 30 20 DBED COC(=O)[C@@H]1CN(C(=O)C(=O)N(C)C[C@H](C)C#N)C[C@H](C)O1 1329713367 OQGZCQXBWNHKQE-VWYCJHECSA-N 311.338 -0.607 30 20 DBED C=CCn1nnnc1N1CCN(C(=O)CN(CC)CC)CC1 1332473911 NCPHUORFRAPCPB-UHFFFAOYSA-N 307.402 -0.151 30 20 DBED C=C[C@@](C)(O)C(=O)NCc1cn(C)nc1NC(=O)[C@](C)(O)C=C 1334373619 RDJXEDKKIBFSTB-HUUCEWRRSA-N 322.365 -0.151 30 20 DBED C#CCN(C)c1nnnn1CCS(=O)(=O)NCC1CCC1 1335697346 YAULUFUKHPUROC-UHFFFAOYSA-N 312.399 -0.538 30 20 DBED COC(=O)c1cccc(NC(=O)C(=O)NCC(=O)NCC#N)c1 1346617056 HKMKIKNFAXQCEW-UHFFFAOYSA-N 318.289 -0.832 30 20 DBED N#Cc1cn(CCC(=O)N2CC(n3ccnc3)C2)c(=O)nc1O 1361976716 AQIJPTJGPLGVQZ-UHFFFAOYSA-N 314.305 -0.509 30 20 DBED N#Cc1cn(CCC(=O)Nc2nncn2C2CC2)c(=O)nc1O 1362433020 NFBPOVNMJJGCAT-UHFFFAOYSA-N 315.293 -0.224 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CCCN1C(=O)CNC(=O)C1CC1 1374055607 REDFAMAFHVGSEZ-ZYHUDNBSSA-N 306.366 -0.221 30 20 DBED CNC(=O)NC(=O)CN[C@H]1CC[C@H](NC(=O)[C@H](C)C#N)CC1 1378437163 SAIVYSLAPIUEJM-GMTAPVOTSA-N 309.370 -0.381 30 20 DBED CC(C)OCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 1383999149 XMPCGUBEHWSSSM-CHWSQXEVSA-N 320.349 -0.387 30 20 DBED Cc1c(CCC(=O)NC[C@H](O)CNC(=O)[C@H](C)C#N)cnn1C 1392117701 PJZVVNOBXZSRPP-MFKMUULPSA-N 321.381 -0.586 30 20 DBED CCCC[C@@H](NC(N)=O)C(=O)NCC1CN(C(=O)[C@H](C)C#N)C1 1398781929 HICVSUKMGXSVID-ZYHUDNBSSA-N 323.397 -0.052 30 20 DBED C[C@H](CNC(=O)C1(S(C)(=O)=O)CCC1)NC(=O)[C@H](C)C#N 1400067098 AZKMVOFNCXXOSJ-NXEZZACHSA-N 315.395 -0.266 30 20 DBED COCCc1nc(CN2CC(O)(CNC(=O)[C@H](C)C#N)C2)no1 1402316798 JMPXKFLHCKDYRI-SNVBAGLBSA-N 323.353 -0.919 30 20 DBED N#Cc1ccc(CN2CC(O)(CNC(=O)c3cnn[nH]3)C2)cc1 1402348598 WZTJNDZPXHAJNT-UHFFFAOYSA-N 312.333 -0.347 30 20 DBED CCCC[C@H](NC(N)=O)C(=O)NC1CN(C(=O)[C@@H](C)C#N)C1 1409071539 VREBULFZUKKNMA-ONGXEEELSA-N 309.370 -0.300 30 20 DBED C[C@@H](C#N)C(=O)NC1CN(C(=O)C2CCS(=O)(=O)CC2)C1 1409101009 GOCROKMGDSKQKD-VIFPVBQESA-N 313.379 -0.702 30 20 DBED CC[C@@H](CNC(=O)[C@H]1CCC(=O)N1)NC(=O)c1ccc(C#N)[nH]1 1409246727 DTYWXACLWOHTAX-GXSJLCMTSA-N 317.349 -0.210 30 20 DBED C[C@@H](C(=O)NCCN1C[C@@H]2CC[C@H](C1)O2)n1cnc(C#N)n1 1412974136 XSRFGAJGOAJCDU-SDDRHHMPSA-N 304.354 -0.310 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCC(=O)NC1)NC(=O)c1cc(C#N)c[nH]1 1415206984 YTBDGQKSGWYWQB-ONGXEEELSA-N 317.349 -0.353 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CNC(=O)CN2CCOCC2)CC1 1429718764 ANZMKVTWMZGVQR-CYBMUJFWSA-N 322.409 -0.167 30 20 DBED CCN(C)C(=O)CN1CC(N2CCN(C(=O)[C@@H](C)C#N)CC2)C1 1447601229 UKAQMJSMKUFBCY-ZDUSSCGKSA-N 321.425 -0.547 30 20 DBED CC(C)n1nccc1C(=O)NC[C@H](O)CNC(=O)[C@H](C)C#N 1452360386 UMEMUMPODHBFAL-GHMZBOCLSA-N 307.354 -0.169 30 20 DBED CNC(=O)NCC(=O)N1CCC[C@H](CN(C)C(=O)[C@@H](C)C#N)C1 1454234908 XLAXYUJRIHDPRF-NWDGAFQWSA-N 323.397 -0.228 30 20 DBED C[C@H](C#N)C(=O)NC1CC2(CC(NC(=O)Cn3cncn3)C2)C1 1491057209 HYJYLDHCTHCJPB-VQZBUAOQSA-N 316.365 -0.019 30 20 DBED COCC(=O)NCCC(=O)N1CC[C@@H](CNC(=O)[C@@H](C)C#N)C1 1495214768 GKMMTWQVELCQKT-RYUDHWBXSA-N 324.381 -0.737 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(Cc2nc(C3CC3)nn2C)C1 1500806600 VWGAPUFIROOIFS-JTQLQIEISA-N 318.381 -0.485 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CN(C)C(=O)CCc1cncnc1 1511570840 RXHMGWIZOWNVQL-WCQYABFASA-N 319.365 -0.496 30 20 DBED CNC(=O)c1cccc(C(=O)[C@@H](C#N)C(=O)NCCOC)n1 1515100314 PCWGGVKBTZKANA-SECBINFHSA-N 304.306 -0.474 30 20 DBED N#Cc1nc(=N[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@@H]3C(=O)O)C2)cc[nH]1 1571074956 QODVIJAIUDNAHF-RGOKHQFPSA-N 301.306 -0.450 30 20 DBED C=C(CCC(=O)O)C(=O)N(C)Cc1nnc2n1CCN(C)C2=O 1573326160 RMWLKNGRQZUTBR-UHFFFAOYSA-N 321.337 -0.257 30 20 DBED C=CCCOCC(=O)N1CCC[C@@H]1CNC(=O)CNC(=O)O 1573360663 UMAXCEZCFKIFID-LLVKDONJSA-N 313.354 -0.046 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)NC[C@]1(C(=O)O)CCCOC1 1573398872 IWABUXWAIZJZDO-ZYHUDNBSSA-N 319.383 -0.206 30 20 DBED Cc1nc(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)O)ccc1C#N 1574418376 OUEKUYYCDVXDTL-LLVKDONJSA-N 323.330 -0.415 30 20 DBED C[C@@H]1CS(=O)(=O)CCN1c1cnc(-c2nn[nH]n2)c(C#N)n1 1576378775 UFJFKXLVYSFAKI-SSDOTTSWSA-N 320.338 -0.848 30 20 DBED N#Cc1nc(N[C@@H]2CCCC[C@@H]2C(N)=O)cnc1-c1nn[nH]n1 1581880216 CVRKWHBQDDDJEN-JGVFFNPUSA-N 313.325 -0.016 30 20 DBED C#CCN(CC(=O)O)c1nnc(CN2CCC(O)CC2)n1C 1588427161 OWCQBAOUQMQNJH-UHFFFAOYSA-N 307.354 -0.704 30 20 DBED C=CCCO[C@H](C)C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)O 1588459823 FXZSPUOXAXMJGV-ZJUUUORDSA-N 305.352 -0.322 30 20 DBED C=C[C@@H](C(=O)O)N(CC)CC(=O)N[C@@H]1CCS(=O)(=O)C1 1588663747 KIOVGSUDUICWGN-ZJUUUORDSA-N 304.368 -0.749 30 20 DBED C[C@H](C(=O)OCc1cnc(C(=O)O)cn1)n1cnc(C#N)n1 1589545792 ATCNHQQXPAHIBY-SSDOTTSWSA-N 302.250 -0.058 30 20 DBED COCCN(CCNC(=O)[C@H](C)C#N)c1ncc(C(=O)O)cn1 1599238128 KEPNAFJXUDCBJJ-SNVBAGLBSA-N 321.337 -0.097 30 20 DBED N#Cc1nc(NC(=O)COC[C@@H]2CCCO2)[nH]c1-c1nn[nH]n1 1609496488 PCVCVMPIFAPCPD-ZETCQYMHSA-N 318.297 -0.404 30 20 DBED CN(CCNS(=O)(=O)c1ccc(F)c(C#N)c1)CC(=O)O 1610118392 FTCOBQXAHKUHRE-UHFFFAOYSA-N 315.326 -0.008 30 20 DBED N#CCN[C@@H](CNC(=O)Cn1[nH]cc2c(=O)ncnc1-2)C1CC1 1752491800 VMRMCVIITIUSIU-NSHDSACASA-N 315.337 -0.921 30 20 DBED C=CCOCC(=O)NC1CN([C@H](C)C(=O)NC(=O)NCC)C1 1753373374 TZIYFGUTAWCOIG-SNVBAGLBSA-N 312.370 -0.776 30 20 DBED C[C@H](CNCC(=O)NCC#N)N(C)C(=O)[C@@]1(F)CCOC1 1753709498 ZLOCDLATQVJIAW-ZWNOBZJWSA-N 300.334 -0.809 30 20 DBED C=CCNC(=O)CNC[C@H](C)N(C)C(=O)Cn1nccc1C 1753715504 YPBSHVMKFWYHGH-ZDUSSCGKSA-N 307.398 -0.070 30 20 DBED C=CCNC(=O)[C@H](C)N(C)CCN(C)C(=O)[C@@H]1CCC(=O)N1C 1753860898 NRMWAUVFALCEIT-STQMWFEESA-N 324.425 -0.312 30 20 DBED C#CCNC(=O)[C@H](C)NC/C=C\CNC(=O)c1coc(C)n1 1754114912 MGNDORDKOZCLKB-GZTOBOFZSA-N 304.350 -0.003 30 20 DBED COCC#CCNC/C=C/CNC(=O)[C@@H]1CCc2nncn2C1 1754210076 QJNUOWGQFMMGCE-BAABZTOOSA-N 317.393 -0.248 30 20 DBED C#CCNC(=O)CNCCCN(C)C(=O)[C@H]1CCCN1C(C)=O 1754416887 NWHJLFVZXCVPOA-CQSZACIVSA-N 322.409 -0.815 30 20 DBED CC#CCN1CCC(C)(NC(=O)CN2C(=O)CNC2=O)CC1 1754631504 RGGFOBMNZDTUOG-UHFFFAOYSA-N 306.366 -0.468 30 20 DBED C#CCCN1CC[C@](O)(CNC(=O)[C@@]2(CC)CCNC2=O)C1 1754754244 MZHGFDRMRVKGNP-HOTGVXAUSA-N 307.394 -0.521 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H]2CN(C(=O)C[C@@H](C)OC)C[C@H]2C1 1754839826 FXWXYUIOSINKEO-TUVASFSCSA-N 321.421 -0.061 30 20 DBED C#CCNC(=O)CNCC[C@H]1CCN(C(=O)[C@@]23COC[C@@H]2C3)C1 1754916329 TYDAGPCVYVVUHQ-ZQIUZPCESA-N 319.405 -0.400 30 20 DBED CC#CCNC[C@H]1CN(C(=O)Cn2ccc(C)cc2=O)CCO1 1755009996 WRXNCHNQHXMLML-HNNXBMFYSA-N 317.389 -0.003 30 20 DBED C[C@@H](CNC(=O)c1c[nH]c(C#N)c1)N(C)[C@H]1CCC(=O)NC1=O 1755295634 AQOIIHAVCHWRHU-CABZTGNLSA-N 317.349 -0.258 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(CNC(=O)COCC=C)[C@H]2C1 1755419167 CWODDDLSZGFHBU-ZIAGYGMSSA-N 305.378 -0.768 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](CNC(=O)COCC=C)[C@H]2C1 1755419168 CWODDDLSZGFHBU-ZSOGYDGISA-N 305.378 -0.768 30 20 DBED CCCN(C)CC(=O)N1C[C@H](NCC(=O)NCC#N)C[C@H]1C 1755688903 LJVDTAPABWTTTH-CHWSQXEVSA-N 309.414 -0.453 30 20 DBED C#CCNC[C@@H](O)CN(C)C(=O)c1n[nH]cc1Br 1755792735 VMMFURYWZHWXCK-MRVPVSSYSA-N 315.171 -0.172 30 20 DBED C#CCNC(=O)CN(C)C[C@@H](O)CN(C)C(=O)c1ccncc1 1755798192 PTLTXQKCYZHWLJ-CQSZACIVSA-N 318.377 -0.804 30 20 DBED C#CCOCCC(=O)NC[C@@H](C)N(C)C(=O)[C@H]1C[C@H]1C(N)=O 1756027003 MYZUANZMCUKEJD-UTUOFQBUSA-N 309.366 -0.889 30 20 DBED CC#CCCCC(=O)N1CC([C@H](C)NC(=O)[C@H]2CNC(=O)N2)C1 1756154479 BLNYIPGAZZBBSR-WCQYABFASA-N 320.393 -0.176 30 20 DBED CC(=O)NCC(=O)N(C)C[C@@H]1CCN1C(=O)CSCC#N 1757271943 DUDYSBVCZRKHCX-NSHDSACASA-N 312.395 -0.561 30 20 DBED O=C(C#CC1CC1)NC[C@H]1C[C@@H](NC(=O)[C@@H]2COCCO2)C1 1757318142 PLJKYXCJRRZNAI-MJBXVCDLSA-N 306.362 -0.174 30 20 DBED CN(C(=O)CN1CCS(=O)(=O)CC1)c1ccc(C#N)nc1 1771757597 FMMVUYWRIXUJCZ-UHFFFAOYSA-N 308.363 -0.354 30 20 DBED C[C@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)S)C2)C1 1783893792 GGACDJIRBHZHHX-KWBADKCTSA-N 302.396 -0.485 30 20 DBED N#CCCN(CCC#N)C(=O)Cn1cc(Cl)c(=O)[nH]c1=O 174128116 AOTOYLOVRQPWPE-UHFFFAOYSA-N 309.713 -0.154 30 20 DBED C#C[C@H](C)NS(=O)(=O)CCNS(=O)(=O)c1ccccc1 193521604 XVDHNWNIQJKMNF-NSHDSACASA-N 316.404 -0.094 30 20 DBED Cn1nccc1C/N=C(/N)N1CCN(c2ncccn2)CC1 262007865 SFNGGLYLDFOWIQ-UHFFFAOYSA-N 300.370 -0.153 30 20 DBED C#CCNC(=O)CN1CCN(c2nn3cc(C)nc3s2)CC1 264312790 ODIWZSQCTKRQPL-UHFFFAOYSA-N 318.406 -0.029 30 20 DBED N#Cc1ccc2c(c1)N(C(=O)C(=O)N1CCO[C@H](CO)C1)CC2 270126429 AOPYAWIKZWBOBY-ZDUSSCGKSA-N 315.329 -0.333 30 20 DBED COCCN1CCN(C(=O)/C(=N/OC)c2ccco2)CC1=O 271190632 MIUDWYJNRFBUKT-FYWRMAATSA-N 309.322 -0.053 30 20 DBED CC(C)Oc1ccc(NC(=O)C(=O)NC[C@H](O)CO)cc1C#N 275712989 NEKXPLPVDQUIES-LBPRGKRZSA-N 321.333 -0.247 30 20 DBED C=C(C)CN(CC)C(=O)C(=O)NCCC(=O)N1CCN(C)CC1 284520972 KBQRQIWAYUAJTA-UHFFFAOYSA-N 324.425 -0.309 30 20 DBED N#C[C@H]1COCCN1C(=O)CNS(=O)(=O)c1cccnc1 290929029 UZCCLAIZZQYIIB-JTQLQIEISA-N 310.335 -0.889 30 20 DBED C[C@@H](C(=O)N(C)CC(=O)N1CCN(CC#N)CC1)n1cccn1 330835426 WUOXLPUEFPVUOA-ZDUSSCGKSA-N 318.381 -0.430 30 20 DBED CCOC(=O)[C@](C)(O)CNS(=O)(=O)N(CC)CCC#N 336939695 IKCSCGNQOKMORN-LLVKDONJSA-N 307.372 -0.630 30 20 DBED C[C@@H](C(=O)N[C@H](C)CCN1CCOCC1)n1cnc(C#N)n1 337016162 LXCNUWJXEAXUKY-NEPJUHHUSA-N 306.370 -0.062 30 20 DBED CCN(CCC#N)S(=O)(=O)N1C[C@@H]2CCS(=O)(=O)[C@H]2C1 352645786 NLCJBMQSTLOZEG-QWRGUYRKSA-N 321.424 -0.414 30 20 DBED C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CNC(=O)C2)cc1 353942673 HXYGTUJXPLGCJU-NSHDSACASA-N 323.374 -0.231 30 20 DBED CC(=O)N1CCN(CCNC(=O)c2cnccc2C#N)CC1 358466007 HQQBFLKRWUVSLF-UHFFFAOYSA-N 301.350 -0.153 30 20 DBED Cc1ccc(S(=O)(=O)N2CC(O)(CC#N)C2)cc1C(N)=O 358901640 KDFHWONVWUUJNV-UHFFFAOYSA-N 309.347 -0.257 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](COC)C2CC2)C1=O 441572383 WRXYRRTVXOPLCY-JTQLQIEISA-N 309.322 -0.496 30 20 DBED C=CC(C)(C)CNC(=O)N1CCN(CCS(N)(=O)=O)CC1 455379862 FMPIROZUFMWSHC-UHFFFAOYSA-N 318.443 -0.186 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@H](C)Cc2cnc[nH]2)CC1 491724817 HAVMOLOLVGYYBB-CYBMUJFWSA-N 317.393 -0.518 30 20 DBED C#CCN1CCN(C(=O)CN2CCC(F)(F)[C@@H](CO)C2)CC1 491750273 WEOKUMURBJUJLJ-CYBMUJFWSA-N 315.364 -0.287 30 20 DBED C[C@H](C#N)CNC(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 525710811 AQOCVYSUKUMJKE-JKKYPKHBSA-N 305.334 -0.185 30 20 DBED N#CCc1ccnc(NC(=O)CN2CCS(=O)(=O)CC2)c1 532434165 LNTFRMGIPGFMDO-UHFFFAOYSA-N 308.363 -0.183 30 20 DBED C=CC[C@H](CO)CNC(=O)Nc1ncn(CC(=O)N(C)C)n1 539256722 WUAJMNWZBFJCNN-JTQLQIEISA-N 310.358 -0.328 30 20 DBED CCN(CCO)CCNC(=O)C(=O)Nc1cc(C)c(C#N)cn1 566446446 CLWGOCWYGXFZBC-UHFFFAOYSA-N 319.365 -0.369 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1C[C@@H](O)C[C@@H](C(=O)OC)C1 592196918 CVEUXWDWUNNKPN-AXFHLTTASA-N 313.354 -0.758 30 20 DBED C=CCn1cc(C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)OCC)nn1 592625927 KJCDPYXJARWWKL-VHSXEESVSA-N 323.353 -0.350 30 20 DBED CN(C)S(=O)(=O)NCC(=O)NCC1CCC(C#N)CC1 597617471 RGUKBYSLQZNNGN-UHFFFAOYSA-N 302.400 -0.171 30 20 DBED CO[C@@H]1CCC[C@H]1S(=O)(=O)N1CCN(C(=O)CC#N)CC1 601457124 JTORVTJFLBWJLY-VXGBXAGGSA-N 315.395 -0.058 30 20 DBED CC#CCNCc1cn(Cc2nnnn2CC(F)(F)F)nn1 641113192 ZSZPPLVPKVQWRL-UHFFFAOYSA-N 314.275 -0.012 30 20 DBED C=CCOCCCNC(=O)C(=O)N1CCO[C@@H](C(=O)O)C1 659663114 DPSCFZNKECKJAS-SNVBAGLBSA-N 300.311 -0.993 30 20 DBED CC#CCCNC(=O)N1CCN(S(=O)(=O)NC(C)C)CC1 664702968 FWQRUJWCLKLFRE-UHFFFAOYSA-N 316.427 -0.030 30 20 DBED C=C[C@@](C)(O)C(=O)N1CCN(c2ncccc2C(N)=O)CC1 667584127 UFTYWGAAZBXSBC-OAHLLOKOSA-N 304.350 -0.234 30 20 DBED C=C(C)Cn1c(-c2cc[nH]n2)nnc1N1CCO[C@@H](C(N)=O)C1 669337294 GMWJWPHHLKMPSI-LLVKDONJSA-N 317.353 -0.065 30 20 DBED C#CCOC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 762945646 UQRXXKMPQGVVGY-SECBINFHSA-N 310.331 -0.371 30 20 DBED C[C@H]1CC(=NC(=O)[C@H](C)NS(=O)(=O)c2cnn(C)c2)NO1 765374000 WXCNIBGTSTYILP-YUMQZZPRSA-N 315.355 -0.675 30 20 DBED C#CCCCNC(=O)C(=O)NC[C@@H](C(C)C)N1CCOCC1 786447297 LSTPVVBFBNGMKL-AWEZNQCLSA-N 309.410 -0.011 30 20 DBED C#CCOCCC(=O)NS(=O)(=O)[C@H](C)[C@@H](C)C(=O)OC 788039388 GZCJRQSJUAXAHJ-NXEZZACHSA-N 305.352 -0.330 30 20 DBED C#CCCCS(=O)(=O)NC[C@H]1CCC[C@]12NC(=O)NC2=O 805022045 HBZCASRJFXZPLG-MFKMUULPSA-N 313.379 -0.303 30 20 DBED C#CCNS(=O)(=O)N1CCN(Cc2oc(C)nc2C)CC1 809968104 NIQOQDMZQMVCNA-UHFFFAOYSA-N 312.395 -0.123 30 20 DBED C[C@H](C(=O)N[C@@H]1CNC[C@@H]1C#N)N1C(=O)NC2(CCCC2)C1=O 834493085 AGGGAQPQHFYFPN-OUAUKWLOSA-N 319.365 -0.533 30 20 DBED N#C[C@@H]1CNC[C@@H]1NC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 834517090 PYNSXJURVFFFOL-YIZRAAEISA-N 304.272 -0.375 30 20 DBED CC1=C(C(=O)N2CC[C@@](O)(CC#N)C2)Cn2nnnc2N1C 844018265 KWOBFLKKMZTVDM-ZDUSSCGKSA-N 303.326 -0.726 30 20 DBED CCn1ncnc1C=NNC(=S)NCCN1CCOCC1 848400000 ACKCUGBPQPYILZ-UHFFFAOYSA-N 311.415 -0.572 30 20 DBED C#CCOc1ccccc1NC(=O)C(=O)NC[C@H]1COCCN1 861522041 NLSRFXIVFCZBOL-LBPRGKRZSA-N 317.345 -0.258 30 20 DBED N#Cc1cccnc1NCCNC(=O)NC[C@H]1COCCN1 861564771 NHYRPOPXVREEKS-LBPRGKRZSA-N 304.354 -0.347 30 20 DBED C#CC[C@@H](CCOC)NC(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 875916968 QGJTWTJYBMKWMD-QWRGUYRKSA-N 308.338 -0.640 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCCN(CCN2CCOCC2)C1 882634493 YJTDAROWLWAGEI-MRXNPFEDSA-N 323.437 -0.061 30 20 DBED CN(CC(=O)N1CCOCC1)C(=O)c1cccc(C#CCO)c1 900002610 XNSRMRJFMWFSML-UHFFFAOYSA-N 316.357 -0.039 30 20 DBED C#CC[C@@H](CO)NC(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 919070066 FRBSRGJDZLZMOX-CABCVRRESA-N 324.425 -0.924 30 20 DBED C#CCN1CCC[C@@H](NC(=O)C(C)(C)NS(C)(=O)=O)C1 923572969 HVCUONAFNWNCRD-LLVKDONJSA-N 301.412 -0.472 30 20 DBED C#CCN1CCC(NC(=O)CN2CCCCS2(=O)=O)CC1 928660496 OYSNTFVAJQJNCM-UHFFFAOYSA-N 313.423 -0.374 30 20 DBED CCN1CCO[C@@H](C(=O)N2CCCN(C(=O)[C@@H](C)C#N)CC2)C1 941239083 WKBOJADCTKGAGK-UONOGXRCSA-N 322.409 -0.072 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C2CN(CC(=O)NC3CC3)C2)CC1 941347869 FOBKCCHTYNOHNB-GFCCVEGCSA-N 319.409 -0.747 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CN2CCOCC2=O)C[C@H]1C 947394582 GGLMRLIPZVPAKE-ZIAGYGMSSA-N 307.394 -0.162 30 20 DBED C#CCN1CCOC2(CCN(C(=O)CN3CCCC3=O)CC2)C1 949291399 BEVAXPJDFTUVPJ-UHFFFAOYSA-N 319.405 -0.065 30 20 DBED CC#CCN1CCOC2(CCN(C(=O)[C@@H]3CCNC3=O)CC2)C1 949433183 GYEXZMHKAGNXPL-CQSZACIVSA-N 319.405 -0.161 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@@H]2CNC(=O)c2nc[nH]n2)nc1 951587548 XJZRDYXQFRFXTE-LLVKDONJSA-N 310.317 -0.175 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@H]2CCC(=O)N2)C1 955364516 JIHJSWOWPDGVKX-AGIUHOORSA-N 321.377 -0.475 30 20 DBED C#CCCN1CC(N(CC)C(=O)[C@H]2CN(C(C)=O)CCO2)C1 957343318 GVWXCNZTUOCHRO-OAHLLOKOSA-N 307.394 -0.210 30 20 DBED C#CCCN1C[C@@H](O)[C@@H](CNC(=O)c2c(C)nnn2CC)C1 958135886 VGPYPABQRVQMJM-QWHCGFSZSA-N 305.382 -0.348 30 20 DBED N#Cc1cccc(CN2C[C@H]3[C@H](NC(=O)Cn4cnnn4)[C@H]3C2)c1 958192917 KZEQCUVKNJNWPT-FOLVSLTJSA-N 323.360 -0.209 30 20 DBED Cc1ccn2ncc(C(=O)NC[C@H]3CN(CC#N)C[C@@H]3O)c2n1 958599606 SAANLYURZJQPKA-AAEUAGOBSA-N 314.349 -0.416 30 20 DBED O=C(C#CC1CC1)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cnn[nH]1 960611272 DWKJBDXQHHMPTF-QWHCGFSZSA-N 315.333 -0.730 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]2[C@@H]1CCCN2C(=O)c1nnn(C)n1 963466404 OCIFYODWOCVVRD-VWYCJHECSA-N 317.353 -0.425 30 20 DBED CN1CCC[C@H]1C(=O)NC[C@@H]1COCCN1C(=O)C#CC1CC1 964124321 VRHZDRRQHHMSML-CABCVRRESA-N 319.405 -0.162 30 20 DBED C[C@@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)[C@H]1CN(C)C(=O)N1)C2 969811644 OLLGFUYITGZUQR-FIQHERPVSA-N 319.365 -0.629 30 20 DBED O=C1NCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)C#CC3CC3)[C@@H]2C1 972089750 RCMHHYSYDAZEOS-MGPQQGTHSA-N 315.373 -0.405 30 20 DBED CN(CC#N)[C@@H]1CCN(C(=O)[C@@H]2CCc3nnnn3CC2)C1 972384886 PDMXQFGGRIHHDF-VXGBXAGGSA-N 303.370 -0.318 30 20 DBED C[C@@H](C(=O)N[C@@H]1CN(CC#N)CC1(C)C)N1C(=O)CCC1=O 974630660 CINQNTQVSZKNBT-WDEREUQCSA-N 306.366 -0.126 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)CCn3cnnn3)C[C@H]21 974972176 ZUAPHJNUGIQGJD-QJPTWQEYSA-N 317.353 -0.718 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]1CN(C)C(=O)c1cn(C)c(=O)n1C 977889385 YVADWCZVIIIOMO-MNOVXSKESA-N 319.365 -0.444 30 20 DBED C#CCN1C[C@@H]2C(CNC(=O)c3cn(CCOC)nn3)[C@H]2C1 978155040 MPYXGZOWMMFOJP-CHWSQXEVSA-N 303.366 -0.535 30 20 DBED C=CCN1C[C@@H]2C(CNC(=O)[C@H]3CC(=O)N(CCOC)C3)[C@H]2C1 978241406 ILWQNYPNUROALI-NWANDNLSSA-N 321.421 -0.039 30 20 DBED C#Cc1ccc(C(=O)NCC2[C@@H]3CN(CC(=O)NC)C[C@@H]23)nc1 978980799 CDTJJRYYJPXRGT-KBPBESRZSA-N 312.373 -0.284 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC(NC(=O)c3cnns3)C2)c1 990352706 HGFDGBQKDNNOJC-UHFFFAOYSA-N 302.319 -0.008 30 20 DBED C#CCN1CC[C@@]2(NC(=O)[C@@H]3CC(=O)NC(=O)N3)CCC[C@@H]12 992257065 GKKXYTAPXQMVDG-RWSFTLGLSA-N 304.350 -0.669 30 20 DBED C=CCN1CC[C@@H](NCC2CCN(C(=O)C(N)=O)CC2)C1=O 998025681 SHUZUOYKTHZIIA-GFCCVEGCSA-N 308.382 -0.913 30 20 DBED CN(C(=O)Cn1nc2n(c1=O)CCCC2)C1CC(NCC#N)C1 999656591 DITSRXKCNNLHAA-UHFFFAOYSA-N 318.381 -0.516 30 20 DBED CN(C(=O)Cn1ccc(O)nc1=O)C1CCN(CC#N)CC1 1005674963 DNCBJYWGBPVEHL-UHFFFAOYSA-N 305.338 -0.605 30 20 DBED C=C1CC(C)(C(=O)N2CCO[C@]3(CCN(C(=O)C(N)=O)C3)C2)C1 1007718190 YTLYIDFTZLNQHC-INIZCTEOSA-N 321.377 -0.342 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](CNC(=O)c3cn(C)nn3)[C@H]2C1 1009013559 DGXZZRJPBIVDOV-XWLWVQCSSA-N 302.338 -0.591 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2C[C@H](C)N(C(=O)C(N)=O)C2)cn1 1010279569 GTVIUYYJGFDLOZ-WDEREUQCSA-N 314.345 -0.485 30 20 DBED CN1CC[C@H](N2CC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)C1=O 1010461171 CJKBAXRKILWRFW-YPMHNXCESA-N 301.350 -0.079 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CC23CCN(CC(N)=O)CC3)nn1 1016867401 IWAGNIXLXRXYMY-LBPRGKRZSA-N 318.381 -0.466 30 20 DBED C#CCCN1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CC(=O)N(C)C1=O 1018169026 HQQMPQKBLYOVFJ-BETUJISGSA-N 318.377 -0.421 30 20 DBED C[C@H]1[C@@H](NC(=O)c2ccc(C(N)=O)[nH]2)CCN1C(=O)[C@H](C)C#N 1020538835 UTIPBKYFVDTBDX-UTLUCORTSA-N 317.349 -0.008 30 20 DBED C=C(Cl)CN1CC(NC(=O)CN2CCN(C)C(=O)C2)C1 1030569922 HPXXGSXTUSLOKR-UHFFFAOYSA-N 300.790 -0.687 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)[C@@H]3CCC(=O)NC3)C2)C1=O 1030590153 KOBREAFJRKYZPI-DGCLKSJQSA-N 320.393 -0.900 30 20 DBED C#CCCN1CC(CNC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 1031870896 HQUXSNIZXKLRES-ZDUSSCGKSA-N 301.350 -0.563 30 20 DBED C=CCn1cc(C(=O)NCC2CN(CC(=O)NC3CC3)C2)nn1 1032035507 BUUHSUJYVNXZFB-UHFFFAOYSA-N 318.381 -0.596 30 20 DBED C=CCn1cc(C(=O)N(C)[C@H]2CCN(CC(=O)NC)C2)nn1 1033484429 PYMAFVMPTQAFLF-NSHDSACASA-N 306.370 -0.644 30 20 DBED C#CCN1CCCC[C@@H](NC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 1034322832 JRINXMBTXGQQLL-OCCSQVGLSA-N 315.377 -0.031 30 20 DBED CC#CCN1CCO[C@H](CNC(=O)[C@H]2CC(=O)N(CC)C2)C1 1035389399 CGHAGAPNOKRSEV-UONOGXRCSA-N 307.394 -0.305 30 20 DBED C#CCN1CCO[C@H](CNC(=O)[C@H]2CCCCS2(=O)=O)C1 1035391160 FQXDXXSHIMYFDR-CHWSQXEVSA-N 314.407 -0.596 30 20 DBED N#CCNC1C[C@@H]2CCC[C@H](C1)N2C(=O)[C@@H]1CC(=O)NC(=O)N1 1039301983 RWAWKKASKOVSMA-YATPEIPISA-N 319.365 -0.390 30 20 DBED O=C(C#CC1CC1)NC[C@@]1(O)CCN(C(=O)CC2(O)CCC2)C1 1039680231 AVEMYONOCCBEGK-KRWDZBQOSA-N 320.389 -0.216 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)COCC(F)F)C1 1040343184 XGPFQHNQUCTVQK-ZANVPECISA-N 319.308 -0.493 30 20 DBED Cc1c[nH]nc1C(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@H]1O 1041004322 HBAYFTQAZQLPKK-VXGBXAGGSA-N 312.333 -0.036 30 20 DBED COCC(=O)N1CCCO[C@H](CN=c2cc[nH]c(C#N)n2)C1 1041468051 ITUBOGQEUYQXDR-LLVKDONJSA-N 305.338 -0.554 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(O)CN(C(=O)[C@@H](CC)OC)C1 1042807727 YCRHVXOWZRXHDL-BXUZGUMPSA-N 314.382 -0.572 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(O)CN(C(=O)c2ccco2)C1 1042808756 CRBYEUCKRXXXKG-CQSZACIVSA-N 308.334 -0.090 30 20 DBED C[C@H]1OCC[C@@]1(C)C(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042964918 QNEKJCYOYFNJFQ-MLGOLLRUSA-N 320.389 -0.096 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1(O)CN(C(=O)COC)C1 1043245612 OHQCNGTYINTQKU-AAEUAGOBSA-N 312.366 -0.697 30 20 DBED CN(C(=O)c1cn(C2CCOCC2)nn1)C1CN(CC#N)C1 1044150433 DQMNJEMBTBDOMM-UHFFFAOYSA-N 304.354 -0.091 30 20 DBED C#CCN1C[C@H]2C[C@H](NC(=O)CN3CCOCC3=O)C[C@H]1C2 1047089229 OSSOHOKLSYUQOK-MELADBBJSA-N 305.378 -0.553 30 20 DBED C=CCN1C[C@@H]2CCCN(C(=O)Cn3nc(C)n(C)c3=O)[C@@H]2C1 1050193066 BYNQKNSRKIFWEM-UONOGXRCSA-N 319.409 -0.001 30 20 DBED C[C@@H]1[C@@H](NC(=O)[C@@H]2COC(=O)N2)CCN1c1ccnc(C#N)n1 1050215848 XQPAVWNJRGLZFW-UTLUCORTSA-N 316.321 -0.460 30 20 DBED C=CCN1CC[C@H](NCC[C@H]2CCN(C(=O)CC(N)=O)C2)C1=O 1050222596 BZLDMHMVQMXIKB-STQMWFEESA-N 322.409 -0.523 30 20 DBED N#CCN1CCOC[C@H]1CNC(=O)[C@@H]1CCc2nncn2CC1 1051034284 OJOMGHDHOJPLEY-CHWSQXEVSA-N 318.381 -0.429 30 20 DBED N#CCN1CCOC[C@@H]1CNC(=O)c1ccc2nn[nH]c2c1 1051238453 NUNOUVZYNWXWAK-NSHDSACASA-N 300.322 -0.088 30 20 DBED C=CCN1CCOC[C@H]1CNC(=O)c1ccc(C(N)=O)nc1 1051267497 BAFVOIBWCHMTSK-GFCCVEGCSA-N 304.350 -0.203 30 20 DBED C=CCN1CC2(C1)CN(C(=O)[C@@H]1COCCN1C(C)=O)CCO2 1053537289 ZOSSEPTYSHXUDF-AWEZNQCLSA-N 323.393 -0.667 30 20 DBED Cn1cncc1CC(=O)N1CCN(c2nccnc2C#N)CC1 1055860130 MYAHRHZRHIMMIG-UHFFFAOYSA-N 311.349 -0.027 30 20 DBED N#Cc1cnc(N2C[C@H]3C(NC(=O)[C@@H]4COC(=O)N4)[C@@H]3C2)cn1 1056193117 BPYAWDIKSDASBV-BBBLOLIVSA-N 314.305 -0.993 30 20 DBED C=CCOCC(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)CNC(C)=O 1056315188 YCXDDTWPWYOPLD-KGLIPLIRSA-N 323.393 -0.083 30 20 DBED C=CCn1cc(C(=O)NCCN(CCO)C(=O)C(C)C)nn1 1057007057 JOWFKTMQIXUXTA-UHFFFAOYSA-N 309.370 -0.329 30 20 DBED COC(=O)[C@H]1C[C@@H]1C(=O)NCCN(CCO)C(=O)C#CC(C)C 1057516978 FZHAQMSLSJVJOI-STQMWFEESA-N 324.377 -0.608 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)c1ccn(C)n1 1057524881 VMEQQBVMSKQIAQ-UHFFFAOYSA-N 306.366 -0.370 30 20 DBED C=CCO[C@H](C)C(=O)N(CCO)CCNC(=O)c1cn(C)cn1 1057922099 XCBUUKQLWFIZMI-GFCCVEGCSA-N 324.381 -0.438 30 20 DBED CC(C)(C)C#CC(=O)NCCN(CCO)C(=O)Cn1ccnc1 1057996451 KPCLICQOMIVOLC-UHFFFAOYSA-N 320.393 -0.130 30 20 DBED C[C@@H]1CCN(CC(=O)NCCN(CCO)C(=O)[C@H](C)C#N)C1 1058659262 WCPSNLFNCUTQRD-CHWSQXEVSA-N 310.398 -0.575 30 20 DBED COCCO[C@H](C)C(=O)N(CCO)CCNC(=O)[C@H](C)C#N 1058903708 DQGXABPFTGYSMB-VXGBXAGGSA-N 315.370 -0.865 30 20 DBED O=C(C#CC1CC1)NCC[C@@H]1CCN(C(=O)Cn2cnnn2)C1 1059129596 PBYPOSCWTJNVQC-CYBMUJFWSA-N 316.365 -0.559 30 20 DBED N#Cc1cnc(NC[C@H]2CCN(C(=O)[C@@H]3CCNC3=O)C2)cn1 1060954341 FJKLSMGHQWYZCZ-ZYHUDNBSSA-N 314.349 -0.255 30 20 DBED N#Cc1nc(=NC[C@@H]2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)cc[nH]1 1060992474 VXXSSABHUBDYLM-AXFHLTTASA-N 314.349 -0.848 30 20 DBED N#Cc1nccc(N2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CCC(=O)N2)n1 1062514535 YHPCRZWVXCREGW-DCAQKATOSA-N 312.333 -0.584 30 20 DBED C=C[C@](C)(O)CC(=O)NC1(CNC(=O)c2cnnn2C)CCC1 1062897188 XGYBDQYBZBAIJW-AWEZNQCLSA-N 321.381 -0.089 30 20 DBED CN(C(=O)c1cnn(C)n1)[C@@H]1CCN(c2cncc(C#N)n2)C1 1062955832 ZTBWRLIDPCTFAE-LLVKDONJSA-N 312.337 -0.172 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(NC(=O)c2cnon2)CCC1 1063044059 ZAYAZQWCXKTTEX-JTQLQIEISA-N 306.322 -0.123 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)[C@@]2(C)CCNC2=O)CCC1 1064540044 RSFJVHOKGLLXHZ-YGRLFVJLSA-N 306.366 -0.173 30 20 DBED C=CCCCC(=O)NC[C@H]1CN(C(=O)CNC(C)=O)CCO1 1064780988 JJDBFCOIXNLWSV-ZDUSSCGKSA-N 311.382 -0.178 30 20 DBED CCC(=O)NCC(=O)N1CCO[C@H](CNC(=O)[C@H](C)C#N)C1 1064983158 OPPPVJSNIKTFML-GHMZBOCLSA-N 310.354 -0.984 30 20 DBED Cn1cc(C(=O)N[C@]2(C)CCN(c3ccc(C#N)nn3)C2)nn1 1065247733 QLSIRMFBXQBDGF-CQSZACIVSA-N 312.337 -0.124 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CN(C(=O)C23CCN(CC2)C3)CCO1 1065374053 JYJGMPVTTXRWRY-CHWSQXEVSA-N 320.393 -0.415 30 20 DBED N#Cc1ccc(N2CC[C@H]3[C@@H]2CCCN3C(=O)CC(N)=O)nn1 1066127657 NKRNBSZGKOBIRS-RYUDHWBXSA-N 314.349 -0.207 30 20 DBED N#Cc1cccnc1N1C[C@H](CNC(=O)c2cc[nH]n2)[C@@H](O)C1 1067652858 ZJDXGOMFEXIDIL-AAEUAGOBSA-N 312.333 -0.097 30 20 DBED N#Cc1nccnc1N1C[C@H]2[C@H](CNC(=O)c3nc[nH]n3)[C@H]2C1 1068180732 OUPYSLDYONULAV-OWUUHHOZSA-N 310.321 -0.421 30 20 DBED CCCN(C)CC(=O)N1CC2(C1)CN(C(=O)[C@@H](C)C#N)CCO2 1068451263 JSAHUJBFZFWZDB-ZDUSSCGKSA-N 322.409 -0.072 30 20 DBED C=C(C)CCC(=O)NC1(CNC(=O)CC(N)=O)CCOCC1 1070136344 ALEDRVMXMAUAFD-UHFFFAOYSA-N 311.382 0.000 30 20 DBED C[C@@H](C#N)C(=O)NCc1ccc2c(c1)CN(C(=O)C(N)=O)C2 1070330472 JIENKJIERBHZKC-VIFPVBQESA-N 300.318 -0.210 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)c4nccnc4N)C[C@@]3(C1)O2 1070778115 KIDSCDWLQBNKHL-XHBSWPGZSA-N 313.361 -0.393 30 20 DBED C=CCCC(=O)N[C@@H]1CCCN(C(=O)CN2CC(=O)NC2=O)C1 1071089984 VXCCYNSVDNIBNF-LLVKDONJSA-N 322.365 -0.388 30 20 DBED C#CCN1CC[C@]2(C1)CN(C(=O)CCn1cncn1)C[C@@H](C)O2 1071137272 YOGXWZZOYZKQKM-ZBFHGGJFSA-N 317.393 -0.007 30 20 DBED C[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1NC(=O)CNC(N)=O 1071874323 ILBVQADHYSCZPS-GZMMTYOYSA-N 318.337 -0.869 30 20 DBED C=CC(C)(C)CC(=O)N1CC(N2CCN(C(=O)C(N)=O)CC2)C1 1073596274 MOEHCMDGKKHHBS-UHFFFAOYSA-N 322.409 -0.571 30 20 DBED CC(=O)N1CCC[C@H](C(=O)NC[C@@H]2CN(CC#N)CCCO2)C1 1073684676 XJAAWCBSALQVKA-LSDHHAIUSA-N 322.409 -0.024 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)Cc1ccon1 1075989430 IIDGVQNBPABWBD-NSHDSACASA-N 320.349 -0.632 30 20 DBED CNC(=O)CC(=O)N[C@@H](C)CCNC(=O)c1ccc(C#N)[nH]1 1076177853 RXXWCQLEERFKEG-VIFPVBQESA-N 305.338 -0.353 30 20 DBED C#CCO[C@@H](C)C(=O)NCC[C@H](C)NC(=O)Cn1cccn1 1076508780 FTGGPLDAUQHZGU-STQMWFEESA-N 306.366 -0.068 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)[C@@H](C)OCC#C 1076510416 LBWUKKIQAZHALT-QWHCGFSZSA-N 321.377 -0.825 30 20 DBED C[C@H](C(=O)N(C)C)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 1076905843 CIMLEBTXDZRCHF-OASPWFOLSA-N 319.365 -0.862 30 20 DBED CC(=O)Nc1ccc(C(=O)N[C@@H]2CN(CC#N)C[C@H]2O)nc1 1077103237 GILGDGYFVFWPPT-CHWSQXEVSA-N 303.322 -0.662 30 20 DBED C[C@@H](CCNC(=O)[C@H](C)C#N)NC(=O)CN1C(=O)CCC1=O 1078139274 LPEZMWPLCVCMGP-ZJUUUORDSA-N 308.338 -0.694 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@@H]1CCCN(C(=O)CNC(N)=O)CC1 1079059219 NCMLGBKAYVZDGE-WDEREUQCSA-N 309.370 -0.346 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CO)(NC(=O)c2cn(C)cn2)CC1 1080816076 RAAFVILSNVIZKI-NSHDSACASA-N 319.365 -0.337 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CO)(NC(=O)c2ccn(C)n2)CC1 1080865312 QQHWBHJQAPKBOP-LLVKDONJSA-N 319.365 -0.337 30 20 DBED C=C(Cl)CN1C[C@@H](NC(=O)CN2C(=O)CNC2=O)[C@H](C)C1 1080907070 ZGQFGZGBNWKTRK-PSASIEDQSA-N 314.773 -0.273 30 20 DBED CC(C)C#CC(=O)N1C[C@H](CNC(=O)c2cc[nH]n2)[C@@H](O)C1 1081286815 PQUMFTQLTNJPCK-AAEUAGOBSA-N 304.350 -0.382 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cn[nH]c2)C1 1081295773 VCLAEXRKVPYQJP-OLZOCXBDSA-N 304.350 -0.238 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)COCCC)C[C@H]1O 1081344878 WEGIQTTWXSTKLE-QWHCGFSZSA-N 314.382 -0.449 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cc(=O)n(C)o2)C1 1081430335 DZLDTWAXDBJHLF-MNOVXSKESA-N 323.349 -0.506 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(C(=O)c2cnsn2)C[C@@H]1O 1081469655 ZKJHGTBQSYSLMX-PWSUYJOCSA-N 320.374 -0.499 30 20 DBED C=C(C)CCC(=O)NC[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1O 1081531092 OEHDKGPVQFDLFU-DGCLKSJQSA-N 321.381 -0.280 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@@H]2CCc3c[nH]nc3C2)[C@H](OC)C1 1082379390 VRVIXCDGSOJMNV-KCPJHIHWSA-N 302.378 -0.037 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H](OC)c1cnn(C)c1 1083154122 GHOZTXIPKMSRBV-RRFJBIMHSA-N 318.377 -0.348 30 20 DBED C#CCN1CCC(C(=O)N[C@@H]2CN(C[C@@H](C)OC)C[C@@H]2O)CC1 1084090065 ILVGVVWFQBPHNS-BMFZPTHFSA-N 323.437 -0.472 30 20 DBED CO[C@H]1C[C@H](C(=O)N2C[C@H]3CCN(CC#N)C[C@H]32)N(C(C)=O)C1 1084550289 XZCQBAIBPBVQGJ-LXTVHRRPSA-N 320.393 -0.322 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)C3CC4(C3)NC(=O)NC4=O)[C@@H]2C1 1084716690 QHOACOYWOWHFHP-QZCIIZHISA-N 316.361 -0.860 30 20 DBED C[C@@H]1CC2(CCN(CC#N)CC2)CN1C(=O)[C@H]1CNC(=O)N1 1086940754 YZTPGQDVUUDVRX-VXGBXAGGSA-N 305.382 -0.106 30 20 DBED C#CCN[C@@H]1CCCCCN(C(=O)Cn2ccc(O)nc2=O)C1 1088343235 HIAGZTGURYNCSH-CYBMUJFWSA-N 318.377 -0.057 30 20 DBED CCN(c1ccc(C#N)nn1)[C@H](C)CNC(=O)CNC(=O)NC 1089769848 HLOQBTYTCYLMPN-SNVBAGLBSA-N 319.369 -0.392 30 20 DBED C#CCN1CC[C@@H](NC(=O)CN2CCCCCCC2=O)[C@@H](O)C1 1090311696 XDEUOTRROJTJLR-CABCVRRESA-N 321.421 -0.036 30 20 DBED COc1cc(C(=O)N[C@@H]2CCN(CC#N)C[C@H]2O)cc(OC)n1 1090395281 BAIAZNYQPYOSOR-VXGBXAGGSA-N 320.349 -0.213 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(c2cnc(F)cn2)C[C@H]1O 1090488222 FCXDCMWTPFKQNN-GMTAPVOTSA-N 308.313 -0.680 30 20 DBED Cn1nnc2c(C(=O)N[C@@H]3CCN(CC#N)C[C@@H]3O)ccnc21 1090524333 YTQCBBDUDKNUDT-MNOVXSKESA-N 315.337 -0.948 30 20 DBED CN(C)C(=O)CC(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1O 1090545317 CDTFWGYIERWUNN-CHWSQXEVSA-N 317.349 -0.903 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2cn(CCC)nn2)[C@@H](O)C1 1090685400 IIBWODLCLSMLFT-OCCSQVGLSA-N 305.382 -0.124 30 20 DBED C=CCN1CC[C@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)[C@@H](O)C1 1090704256 LAZKFDZJSTVNQC-QWRGUYRKSA-N 324.381 -0.946 30 20 DBED COCCC(=O)N1CCO[C@@H]2CN(c3cnc(C#N)cn3)C[C@@H]21 1091032040 AHZGCFUCYWNCLK-QWHCGFSZSA-N 317.349 -0.199 30 20 DBED CC[C@@H](OC)C(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1091088170 YVALFMBYUNCHCL-GRYCIOLGSA-N 305.338 -0.561 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCN(c2ccnc(C)n2)C[C@@H]1O 1092160942 BCMRPYYMWKPJGY-KGLIPLIRSA-N 318.377 -0.119 30 20 DBED C#CCN1CC(OC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)C1 1093536804 RPBHNSULWCFFEO-ZIAGYGMSSA-N 307.350 -0.023 30 20 DBED Cc1cc(=NCCNC(=O)CN2CCOCC2)c(C#N)c[nH]1 1093552530 AIDAXQWVUQSNAX-UHFFFAOYSA-N 303.366 -0.456 30 20 DBED N#Cc1c[nH]ccc1=NCCNC(=O)CNC(=O)c1ccncc1 1094183673 MDVNIUYNPOYLGA-UHFFFAOYSA-N 324.344 -0.272 30 20 DBED C#CCN1CC(n2cc(CNC(=O)[C@@H]3CCO[C@H]3C=C)nn2)C1 1094320929 UXHHCPOOLYCLAK-CABCVRRESA-N 315.377 -0.025 30 20 DBED CCn1nc(C)c(C(=O)NCCCN=c2cc[nH]c(C#N)n2)n1 1094482204 DUUXMINQECKXTQ-UHFFFAOYSA-N 314.353 -0.078 30 20 DBED CC#CCN1CC(N2C[C@H](NC(=O)c3cn[nH]c3)CC2=O)C1 1094707136 JXECPTLAAHKDKY-GFCCVEGCSA-N 301.350 -0.552 30 20 DBED CC(=O)N1CC(C(=O)NCCCN(C)c2ccc(C#N)nn2)C1 1095535676 QIPXHGUABQLWBV-UHFFFAOYSA-N 316.365 -0.231 30 20 DBED CC(=O)N1CC(C(=O)NCCCN(C)c2nccnc2C#N)C1 1095535983 XUIDZVINVQEFBG-UHFFFAOYSA-N 316.365 -0.231 30 20 DBED N#Cc1nccc(N2CC[C@@H](NC(=O)CCc3nc[nH]n3)C2)n1 1096366295 FDSNGYJHABUGCQ-SNVBAGLBSA-N 312.337 -0.206 30 20 DBED CCc1nc(C#N)cc(N[C@@H](C)CNC(=O)CNC(N)=O)n1 1097691414 YUTYHBLVECGYJZ-QMMMGPOBSA-N 305.342 -0.504 30 20 DBED CNS(=O)(=O)CC(=O)NC[C@@H](C)Nc1ccc(C#N)nc1 1097863974 PHBHRTJKGZCOBG-SECBINFHSA-N 311.367 -0.581 30 20 DBED C[C@H](CNC(=O)C[C@H]1CCC(=O)N1)Nc1nccnc1C#N 1097950457 PDGMSEOMCYBAKL-NXEZZACHSA-N 302.338 -0.066 30 20 DBED C#CCOCCC(=O)NC[C@@H](C)Nc1nccn2nnnc12 1098059116 KSTJQEFXDALKHR-SNVBAGLBSA-N 303.326 -0.524 30 20 DBED C[C@H](CC(=O)NC[C@@H](C)Nc1cncc(C#N)n1)NC(N)=O 1098075963 JLWSLGXZOWJTSP-RKDXNWHRSA-N 305.342 -0.288 30 20 DBED C[C@@H](CNC(=O)C[C@@H]1CCNC1=O)N=c1cc[nH]cc1C#N 1098098198 VRODWDZKOFJULK-QWRGUYRKSA-N 301.350 -0.182 30 20 DBED C[C@H](CNC(=O)CCCCNC(N)=O)N=c1cc[nH]c(C#N)n1 1098136744 MFRMRNSHOIXPKZ-SNVBAGLBSA-N 319.369 -0.475 30 20 DBED C#CCCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1CC(=O)N(C)C1=O 1098208044 CSZRDIOEUNIACO-UPJWGTAASA-N 318.377 -0.375 30 20 DBED C#CCN(CCO)C1CCN(C(=O)[C@@H](OC)[C@H]2CCOC2)CC1 1098442737 LOLZSKZCNATUTB-HOCLYGCPSA-N 324.421 -0.044 30 20 DBED COCCO[C@H](C)C(=O)N1CCC(N(CC#N)CCO)CC1 1098491484 ILPIXMQQSUYNGG-CYBMUJFWSA-N 313.398 -0.153 30 20 DBED C=CCNCc1cn([C@H]2CCN(C(=O)CNC(=O)CC)C2)nn1 1098644487 BEBZQXMQSHTIIG-ZDUSSCGKSA-N 320.397 -0.147 30 20 DBED CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 1099057176 QIDNENYQYMDGGK-MKBNYLNASA-N 318.377 -0.422 30 20 DBED N#CCNC(=O)CN1CC[C@H](NC(=O)c2ccccc2)[C@@H](O)C1 1099625161 XKKMNWCESQSBFE-KBPBESRZSA-N 316.361 -0.509 30 20 DBED C#CCN1CC[C@@H](NC(=O)CCc2cnn(C)c2C)[C@@H](O)C1 1099853530 SALZICGCYQGXBQ-CABCVRRESA-N 304.394 -0.154 30 20 DBED CC#CCCCC(=O)N[C@H]1CCN(Cc2nc(O)n[nH]2)C[C@@H]1O 1099962560 QLHNMSILMKCOTP-RYUDHWBXSA-N 321.381 -0.245 30 20 DBED CN(CCNC(=O)CNC(=O)C1CC1)c1ccnc(C#N)n1 1099997822 NDISBBCSLUHWJZ-UHFFFAOYSA-N 302.338 -0.573 30 20 DBED COCC#CCNC1CC(CNC(=O)c2cc(=O)n(C)cn2)C1 1100416408 TVSZVOYJZNADBW-UHFFFAOYSA-N 318.377 -0.472 30 20 DBED C=CCNC1CC(CNC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 1100766022 MHSVUOJMKMWWEF-UHFFFAOYSA-N 316.365 -0.258 30 20 DBED C=CCCNC1CC(CNC(=O)CN2CC(=O)N(C)C2=O)C1 1100864810 DSMNABMOIDCYIG-UHFFFAOYSA-N 308.382 -0.059 30 20 DBED CNC(=O)CC(=O)NC[C@@H]1CCN(c2cnc(C#N)cn2)C1 1100974977 CHLLDEXIQLSLLL-JTQLQIEISA-N 302.338 -0.573 30 20 DBED C#CCCN1C[C@@H]2CN(C(=O)CS(=O)(=O)NC)C[C@]2(C)C1 1101465665 TWWMFFYTBVPASN-OCCSQVGLSA-N 313.423 -0.661 30 20 DBED COCC#CCN1C[C@@H](C)[C@H](CCNC(=O)CNC(N)=O)C1 1102655095 QFLSYJLZDXVDBK-CHWSQXEVSA-N 310.398 -0.621 30 20 DBED CC(=O)NCC(=O)NC[C@H](C)CNc1nc(C)cc(C#N)n1 1103843460 CAGSERBKUHIDOL-VIFPVBQESA-N 304.354 -0.043 30 20 DBED C#CCOCCC(=O)NC[C@H]1CN(c2ncccn2)CCO1 1104330633 TZDJSWNTXWQKQJ-ZDUSSCGKSA-N 304.350 -0.162 30 20 DBED C#CCNCc1cn(C2CN(C(=O)c3cc(C)on3)C2)nn1 1105150638 MAQGIFWNHXUYJX-UHFFFAOYSA-N 300.322 -0.006 30 20 DBED C#CCCNCc1cn(C2CN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C2)nn1 1105308780 XQYPTPAQWNHYCY-FICVDOATSA-N 315.377 -0.333 30 20 DBED C#CCNCc1cn(C2CN(C(=O)CCN(C)CC)C2)nn1 1105357660 ILKHPXJIJRZZJZ-UHFFFAOYSA-N 304.398 -0.274 30 20 DBED CCNC(=O)CC(=O)NC[C@H](O)CNc1ccc(C#N)c(C)n1 1105795186 VKYJVETYGONUPD-GFCCVEGCSA-N 319.365 -0.323 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)C[C@@H]2CCCO2)C[C@H]1C 1105858936 QJKWWUYVHISBLY-KFWWJZLASA-N 321.421 -0.011 30 20 DBED Cc1nonc1C(=O)NC[C@H](O)CNc1ccc(C#N)cn1 1105885100 WYVLAAPFNUYISM-SNVBAGLBSA-N 302.294 -0.153 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H](O)CNc1ccnc(C)n1 1106155426 YIVMBWRFBNJEEA-KGLIPLIRSA-N 317.393 -0.228 30 20 DBED CNC(=O)NCC(=O)N[C@@H](C)CCNc1nc(C)cc(C#N)n1 1106616381 YGVWPPJSWNDGLE-VIFPVBQESA-N 319.369 -0.108 30 20 DBED CCN(CCNc1ccc(C#N)nc1)C(=O)[C@@H]1CNC(=O)N1 1106928147 FYNRNGQUEBLQPU-LBPRGKRZSA-N 302.338 -0.105 30 20 DBED N#Cc1cncc(NC/C=C/CNC(=O)C(=O)NCC2CC2)n1 1107310276 SVEGXUUCOFRHQP-OWOJBTEDSA-N 314.349 -0.041 30 20 DBED N#Cc1cncc(NC/C=C/CNC(=O)C[C@@H]2CCNC2=O)n1 1107374824 JQKBMLYDCAFVKR-GXFZAYBSSA-N 314.349 -0.041 30 20 DBED C[C@H](CN=c1cc[nH]cc1C#N)NC(=O)[C@H]1CN(C)CCO1 1107667613 ZOWFNIFMJQUKAI-BXUZGUMPSA-N 303.366 -0.378 30 20 DBED C[C@@]1(CNC(=O)c2ccc[nH]2)CN(CC(=O)NCC#N)CCO1 1107734881 NMMBRGDERKISBW-OAHLLOKOSA-N 319.365 -0.525 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](C)NC(=O)Cc2nc[nH]n2)n1 1107921122 XSIAADMALKUFQB-SECBINFHSA-N 300.326 -0.066 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C[C@@H]1CCOC1 1109099146 MRJCDYAXFOOERG-XGUBFFRZSA-N 319.405 -0.116 30 20 DBED C[C@@H](CN(C)c1ncc(C#N)cc1F)NC(=O)c1nnn(C)n1 1109181216 CZWPGWXAYKJJST-QMMMGPOBSA-N 318.316 -0.129 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1nnnn1C 1109265989 JPMKIXJCIBXZRV-NDBYEHHHSA-N 318.381 -0.530 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H](CCC)S(N)(=O)=O 1109560899 XDXCIWRKEYADCE-MROQNXINSA-N 313.423 -0.202 30 20 DBED N#Cc1ccc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)CCc2cnn[nH]2)nn1 1109742030 QJHYXCQPZQPXFN-MURWCNHISA-N 324.348 -0.208 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H]1CCC(=O)NC1 1110751054 LNONDKJCFMXNPN-TUVASFSCSA-N 319.405 -0.116 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H]1CCN(C)C1 1111407255 PLEIQFZKPPNTBT-YJNKXOJESA-N 318.421 -0.591 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H]1COCCN1c1ncccn1 1111700061 IHXJOHQHUZUUEI-QWHCGFSZSA-N 304.350 -0.164 30 20 DBED C#CCCN[C@@H]1CN(C(=O)CNC(=O)NC)C[C@H]1C(F)(F)F 1112111040 APLLJXDMZRUEDS-NXEZZACHSA-N 320.315 -0.082 30 20 DBED COCCC(=O)NC[C@@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1112689157 JJXMBHLSSQDYPC-MNOVXSKESA-N 305.338 -0.702 30 20 DBED C[C@H]1OCC[C@]1(C)C(=O)N1CCN(CC(=O)NCC#N)CC1 1113137582 ZJLXMOGRPNDYPB-DOMZBBRYSA-N 308.382 -0.415 30 20 DBED CNC(=O)NCC(=O)N[C@H](C)[C@@H](C)Nc1nc(C)cc(C#N)n1 1113350505 UYQSVKITUALZAU-NXEZZACHSA-N 319.369 -0.109 30 20 DBED N#CCNC(=O)CN1C[C@@H]2C(NC(=O)CCc3ccco3)[C@H]2C1 1113852461 KROOPODSYIBUNF-STQMWFEESA-N 316.361 -0.102 30 20 DBED CCCCO[C@H](C)C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1113999538 PUZKHGFTPZDGPB-CXTNEJHOSA-N 322.409 -0.122 30 20 DBED C=CCOCCN1C[C@H]2[C@H](NC(=O)[C@H]3CCCNC3=O)[C@H]2C1 1114433200 ILLTVQNWSGUVPI-IGQOVBAYSA-N 307.394 -0.238 30 20 DBED C[C@@H]1C[C@@H](CNc2ccc(C#N)nn2)CN1C(=O)CNC(N)=O 1114663550 JNOMIVNPAAAZKP-ZJUUUORDSA-N 317.353 -0.335 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)[C@H](CCC)OC)[C@@H]2C1 1114665608 LAZSLSAIBRYQKG-UPJWGTAASA-N 307.394 -0.403 30 20 DBED C=CCC[C@H](C)N1C[C@H]2[C@H](NC(=O)CN3CC(=O)NC3=O)[C@H]2C1 1114979753 DHRVJGRSCRURCB-UUIJZJDISA-N 320.393 -0.061 30 20 DBED C[C@H](CCCN=c1cc[nH]cc1C#N)NC(=O)Cn1ncnn1 1115012213 KULVIONWQQUKHQ-LLVKDONJSA-N 314.353 -0.241 30 20 DBED C[C@@H](CCCN=c1cc[nH]cc1C#N)NC(=O)Cn1ncnn1 1115012214 KULVIONWQQUKHQ-NSHDSACASA-N 314.353 -0.241 30 20 DBED C=CCN1C[C@H]2[C@H](NC(=O)C[C@]3(C)CCS(=O)(=O)N3)[C@H]2C1 1115176626 QXZUYKKCRDERPT-UNJBNNCHSA-N 313.423 -0.309 30 20 DBED N#CCN1C[C@H]2[C@H](NC(=O)CNC(=O)Cc3ccccc3)[C@H]2C1 1115206756 CHDXOEUWAFHKFI-HALDLXJZSA-N 312.373 -0.085 30 20 DBED N#CCCNC(=O)NCCNS(=O)(=O)Cc1ccon1 1116830049 QYIRBORXFNCWDE-UHFFFAOYSA-N 301.328 -0.693 30 20 DBED CC#CCCNC(=O)C(=O)N[C@@H]1CCC[C@H](S(C)(=O)=O)C1 1117470764 SIRKUFLCFACWLL-NEPJUHHUSA-N 314.407 -0.012 30 20 DBED CN(C)CC#CCNC(=O)CCN/C(O)=C1/N=CC=CC1=O 1119663739 WKCZBGBTLJUXOD-PFONDFGASA-N 304.350 -0.416 30 20 DBED C#CC[C@@H](CO)NC(=O)NC1CCN(S(C)(=O)=O)CC1 1119669238 HEVOITXVABAQQI-NSHDSACASA-N 303.384 -0.906 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)C2=COCCO2)nc1 1121011391 WTOZLNOJAYNKLB-LLVKDONJSA-N 304.306 -0.270 30 20 DBED COCc1nc(N[C@@H](CO)CNC(=O)[C@@H](C)C#N)cc(OC)n1 1121214090 WNEVLNBHKFWURI-VHSXEESVSA-N 323.353 -0.320 30 20 DBED CN1CCC[C@H]1C(=O)NC[C@@H](CO)Nc1ccc(C#N)nc1 1121241016 LLUSKNOLHMBHTN-KBPBESRZSA-N 303.366 -0.064 30 20 DBED Cn1cnc(C(=O)NC[C@@H](CO)Nc2cncc(C#N)n2)c1 1121302964 KCFNIKKXTPBMCA-JTQLQIEISA-N 301.310 -0.715 30 20 DBED CNC(=O)CCCC(=O)NC[C@@H](CO)N=c1cc[nH]cc1C#N 1121464944 OXKUGOQPDBQWIB-LBPRGKRZSA-N 319.365 -0.820 30 20 DBED C=CCCOCC(=O)NC[C@H](CO)Nc1nccnc1C#N 1121748750 DYJKYTLBMLJRBF-LLVKDONJSA-N 305.338 -0.170 30 20 DBED C#CCNCC(=O)NC1(C(=O)OC)CCC(C(=O)OC)CC1 1122059242 UVBHTFHUMSJDIX-UHFFFAOYSA-N 310.350 -0.400 30 20 DBED COC(=O)c1nc(=NC[C@H](O)CN(C)C(=O)[C@H](C)C#N)cc[nH]1 1124191769 PGYYWDLGVWAXPM-ZJUUUORDSA-N 321.337 -0.924 30 20 DBED C#CCNC(=O)CC(=O)NCCN[C@@H](C)C(=O)NCCC(C)C 1125997896 FOKDDTUGPFFUHC-ZDUSSCGKSA-N 324.425 -0.618 30 20 DBED C#CCNC(=O)CC(=O)NCC1=CCN(c2ncccn2)CC1 1127624000 UZHPAJIRQBVXDJ-UHFFFAOYSA-N 313.361 -0.131 30 20 DBED CC(C)Cn1nccc1C(=O)NCCNCC(=O)NCC#N 1128455645 KTHFOUYIUHWQQY-UHFFFAOYSA-N 306.370 -0.502 30 20 DBED CS(=O)(=O)NCCC(=O)NCCNCc1cccc(C#N)c1 1128601310 QMDVXRKKBXEXQE-UHFFFAOYSA-N 324.406 -0.297 30 20 DBED CNC(=O)NCC(=O)NCCNCc1cc(C#N)ccc1OC 1128790772 ZYTBWIZYLOTASD-UHFFFAOYSA-N 319.365 -0.298 30 20 DBED C=C[C@](C)(O)CC(=O)N1C[C@H]2C[C@@H]3CN(CC(N)=O)C[C@]2(C1)O3 1131219866 FCPREBCNONNKRD-AVRGHOLYSA-N 323.393 -0.900 30 20 DBED CC#CCN1C[C@H](NC(=O)CN(C)S(C)(=O)=O)CC[C@@H]1C 1132076679 CFBWNSXDKKBCBK-QWHCGFSZSA-N 315.439 -0.130 30 20 DBED C=CCN1C[C@H](NC(=O)CNC(=O)Cn2cncn2)CC[C@H]1C 1132513050 NMJRUIWLUJEMJB-CHWSQXEVSA-N 320.397 -0.451 30 20 DBED C[C@@H]1CCN(C(=O)Cn2c(O)nnc2O)C[C@@H]1CNCC#N 1133270511 JNCKKRCKUJXJAC-ZJUUUORDSA-N 308.342 -0.713 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)CSCC#N)NCC(=O)NCC#N 1133735360 CSZVXHNURWWBGB-WDEREUQCSA-N 311.411 -0.244 30 20 DBED C#CCOCCC(=O)N[C@@H](C)C[C@@H](C)NCCS(C)(=O)=O 1134350984 AGJNGWVEEFOPKZ-OLZOCXBDSA-N 318.439 -0.056 30 20 DBED CC#CCN[C@H](C)C[C@@H](C)NC(=O)CCn1ncn(C)c1=O 1135072007 XLGFHCAWZRNKOM-CHWSQXEVSA-N 307.398 -0.132 30 20 DBED C#CCNC(=O)CNCCNC(=O)Cc1ccccc1COC 1135150541 PCMWNPHPQPBHIM-UHFFFAOYSA-N 317.389 -0.169 30 20 DBED C=CCOCCNCCNC(=O)[C@]1(C)CCCS1(=O)=O 1135154926 JEXPJJPYLOBARN-ZDUSSCGKSA-N 304.412 -0.138 30 20 DBED C=CCCN[C@@H](C)C[C@@H](C)NC(=O)c1cn(CC(N)=O)nn1 1146584175 QYFDEZJPDPVNJA-WDEREUQCSA-N 308.386 -0.174 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC2(CN(C(=O)[C@H](C)COC)C2)C1 1147219444 XGAWUILSYIWCBT-ZIAGYGMSSA-N 321.421 -0.059 30 20 DBED N#CCNC(=O)CN1CCC2(C1)CN(C(=O)C[C@H]1CCOC1)C2 1147269204 ZTFGZKUKYQAIEN-CYBMUJFWSA-N 320.393 -0.413 30 20 DBED C=CCOc1cccnc1C(=O)NCCNCC(=O)NC(N)=O 1147290541 JIVUVFFGOYIJBV-UHFFFAOYSA-N 321.337 -0.839 30 20 DBED C#Cc1ccccc1CC(=O)NCCNCCS(C)(=O)=O 1149117222 CWIGKCZZDLZVPM-UHFFFAOYSA-N 308.403 -0.039 30 20 DBED C=CCN1CCCO[C@@H](CNC(=O)[C@@H](C)NS(C)(=O)=O)C1 1150380420 UQXMPSIXUHYUMA-NEPJUHHUSA-N 319.427 -0.683 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)CC[C@]1(C)CCC(=O)N1 1153905977 MXMNZRPVPWNPDN-BLLLJJGKSA-N 322.409 -0.721 30 20 DBED C=CCCCN(CC)[C@H](C)CNC(=O)CNS(=O)(=O)NC 1154469221 OBCJAIMMOOGGCT-GFCCVEGCSA-N 320.459 -0.167 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)Cc1cnn(C)c1C 1159608398 WQOJZYZURHDQKJ-GFCCVEGCSA-N 319.409 -0.495 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1n[nH]c2c1CCC2 1161685480 HFONZXCSHLKMTO-UHFFFAOYSA-N 303.366 -0.643 30 20 DBED COCC1(CNC(=O)[C@H]2CNC(=O)N2)CCN(CC#N)CC1 1162440859 CQXNBZZVGUDASO-LLVKDONJSA-N 309.370 -0.964 30 20 DBED COCC1(CNC(=O)[C@@]2(C)CCNC2=O)CCN(CC#N)CC1 1162482088 IYUVNOAPIBESKH-HNNXBMFYSA-N 322.409 -0.119 30 20 DBED C#CCNCC1(CCNC(=O)c2cn(C)c(=O)nc2O)CC1 1168110313 YGQAZZAVADDORX-UHFFFAOYSA-N 304.350 -0.391 30 20 DBED C#CCCNCC1(CCNC(=O)[C@@H]2CCS(=O)(=O)N2)CC1 1168191910 JVRJKXPDLKXXQG-LBPRGKRZSA-N 313.423 -0.423 30 20 DBED CCN(CCC#N)C(=O)CNCCCNC(=O)[C@@H]1CCC(=O)N1 1171620598 DFAFZLJAQRWVKC-LBPRGKRZSA-N 323.397 -0.877 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)c2cncnc2)[C@H]1C 1178525432 HMNCKSOGKGVQNZ-AAEUAGOBSA-N 303.366 -0.029 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2cc(C)nn2C)C1 1181287277 JQIYCMYUCVDCCI-GFCCVEGCSA-N 303.366 -0.718 30 20 DBED CS(=O)(=O)CCN[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 1181879061 NGWQRKZYPRFSFD-LLVKDONJSA-N 310.379 -0.265 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)C[C@@H]2CCN(C)C2=O)C1 1183516400 IAFYYLYCWLACDW-QWHCGFSZSA-N 322.409 -0.653 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)c2ccccn2)C1 1190668264 NXZKMNIDKCVIAW-MRVWCRGKSA-N 318.377 -0.453 30 20 DBED Cc1cccc(C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@H]2O)c1 1190758155 OAKXGHLANPJJPX-ZIAGYGMSSA-N 316.361 -0.590 30 20 DBED CN(CC(=O)NCC#N)[C@H]1CCN(C(=O)COCC(F)F)C1 1191514556 DZWJNOLEVJGITB-JTQLQIEISA-N 318.324 -0.559 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC(=O)N2)C1 1193977840 ALSOSWROFNFPPI-JHJVBQTASA-N 311.382 -0.981 30 20 DBED COCC#CCN(C)[C@H]1CCN(C(=O)C[C@H]2CC(=O)NC2=O)C1 1194542945 AJOFDMHOSDTBTK-OLZOCXBDSA-N 321.377 -0.778 30 20 DBED C#CCCNC[C@H]1CN(C(=O)[C@H]2CCNC(=O)C2)CCCO1 1200238486 MVQUBPRXCLXRIU-KBPBESRZSA-N 307.394 -0.257 30 20 DBED C#CCNC[C@@H]1CN(C(=O)CC2CS(=O)(=O)C2)CCCO1 1200850435 HBYNGLAOVIBEDL-CYBMUJFWSA-N 314.407 -0.739 30 20 DBED C#CCC1(C(=O)N2CCC(NCC(N)=O)CC2)CCOCC1 1200994824 NDAQLBWCCQLIOW-UHFFFAOYSA-N 307.394 -0.128 30 20 DBED CC(C)c1nnnn1CC(=O)N1CCCO[C@H](CNCC#N)C1 1201592469 HSKYXWJVXQTTCJ-GFCCVEGCSA-N 321.385 -0.473 30 20 DBED C[C@@H](C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C)n1cccn1 1206083736 WYBZDJYFZWMPSD-FRRDWIJNSA-N 318.381 -0.480 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)COCC2CC2)[C@H](C)C1 1206225485 VUOFNLLFMIRWHE-UMVBOHGHSA-N 321.421 -0.013 30 20 DBED N#Cc1cc(C(=O)N2CCC[C@H](NCC(=O)NC(N)=O)C2)c[nH]1 1207856992 QHWJSFQVPPSGQJ-JTQLQIEISA-N 318.337 -0.725 30 20 DBED C=CCCN[C@H]1CCCN(C(=O)CNC(=O)CNC(C)=O)C1 1208439587 SSGKQWYUVMRBIL-ZDUSSCGKSA-N 310.398 -0.605 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@@H](C)NC(=O)c1ccoc1 1212318746 JMEWYMTVKDOZHZ-RAIGVLPGSA-N 320.349 -0.263 30 20 DBED CC#CCN1C[C@@H](NC(=O)C(=O)NCC(F)F)[C@H](OC)C1 1212497204 KLBOBQYZNYJNJR-NXEZZACHSA-N 303.309 -0.794 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)C(=O)C(C)(C)C)C[C@H]1C 1214347374 XGMYTRKNZINXGI-VXGBXAGGSA-N 307.394 -0.213 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1C 1214555534 KJARBFSYLKVJGQ-GRYCIOLGSA-N 320.397 -0.444 30 20 DBED Cc1nc[nH]c1C(=O)N1C[C@@H](NCC(=O)NCC#N)[C@H](C)C1 1217092800 LIMJIYFXYNCHCI-MWLCHTKSSA-N 304.354 -0.592 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCCOCC2)C1 1219531147 ONKVDWSZNUOZQC-ZNMIVQPWSA-N 310.394 -0.386 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)C2(CCOC)CC2)C1 1219772784 ZOGAECVBOYYYQO-KGLIPLIRSA-N 310.394 -0.386 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)C2(CN(C)C)CC2)C1 1220230531 IZNDRIFIHMTHGM-KGLIPLIRSA-N 311.426 -0.308 30 20 DBED CCC[C@H](C(=O)N1C[C@H]2CCN(CC#N)C[C@H]21)S(N)(=O)=O 1221712979 VBTZGJQMBVKWCO-IJLUTSLNSA-N 314.411 -0.500 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)[C@@]3(F)CCOC3)[C@@H]2C1 1221765331 ANHVQLYCICVSDM-XJKCOSOUSA-N 323.368 -0.603 30 20 DBED C=CCN1CC[C@@H]2CN(C(=O)CN(C)S(=O)(=O)CC)[C@@H]2C1 1221909089 XMSWRIITAQBVAT-CHWSQXEVSA-N 315.439 -0.013 30 20 DBED N#CCNC(=O)CN1CC[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21 1222636610 LEBFCSCEOXUMHG-CABCVRRESA-N 314.389 -0.038 30 20 DBED C#CCN1CCS(=O)(=O)[C@H](CCNC(=O)Cn2cccn2)C1 1230420203 UDYUQSMBHOBOAQ-CYBMUJFWSA-N 324.406 -0.878 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C[C@H]1CCN1CC(=O)N1CCC1 1234215155 JEJBFEIWPDODAH-ZIAGYGMSSA-N 307.394 -0.210 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H]2CCO)CCN1C1CC1 1261861544 ZWSSXYSIGKZPBQ-OCCSQVGLSA-N 320.393 -0.441 30 20 DBED N#CC1(NC(=O)CN2CCS(=O)(=O)CC2)CCSCC1 1319515599 MOTFQZYPHJPJGK-UHFFFAOYSA-N 317.436 -0.378 30 20 DBED C#CCN(CC1CC1)C(=O)CNS(=O)(=O)c1cn(C)c(C)n1 1319552712 SWBHVEYQYMZSOT-UHFFFAOYSA-N 324.406 -0.121 30 20 DBED N#Cc1ncn(CCNC(=O)C(=O)Nc2cccc(Cl)n2)n1 1323345937 FFHZWMQMMRAEQE-UHFFFAOYSA-N 319.712 -0.047 30 20 DBED N#CCC1(CNC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CC1 1323751985 NQZLLMWXJGDQQE-OLZOCXBDSA-N 320.393 -0.224 30 20 DBED CC(=O)N1CCN(C(=O)C(=O)Nc2ccc(C#N)cn2)CC1 1324508678 YWIZCJJILDDTAM-UHFFFAOYSA-N 301.306 -0.418 30 20 DBED C=CC1CCN(C(=O)C(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)CC1 1325546962 LQGIESRZHAWZRI-NWDGAFQWSA-N 309.366 -0.440 30 20 DBED C=CCNC(=O)CNC(=O)NCc1nc([C@H]2CCCO2)n[nH]1 1326745340 WQNKBJSCCFGIIW-SECBINFHSA-N 308.342 -0.242 30 20 DBED C=CC[C@@H](CO)CNC(=O)C(=O)Nc1ccnc(COC)n1 1327590465 JJOIXFYAGQRBRV-SNVBAGLBSA-N 308.338 -0.138 30 20 DBED C=CCCN(C)C(=O)C(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1 1328498663 HEMTXMTTYIAKCK-NSHDSACASA-N 317.411 -0.487 30 20 DBED CCS(=O)(=O)CCNC(=O)C(=O)NCC#Cc1ccccc1 1328550656 KNQWFNBHEKRLQA-UHFFFAOYSA-N 322.386 -0.295 30 20 DBED COCC#CC(=O)NC[C@H]1CCCC[C@@H]1NS(C)(=O)=O 1328688551 SMLVWKUSUIPRQP-NEPJUHHUSA-N 302.396 -0.140 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC(n2cc(C(N)=O)nn2)CC1 1331659533 QUYVAGHBGJVMBF-JTQLQIEISA-N 304.354 -0.848 30 20 DBED C#CCOCCn1nnnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1334469868 LBMSRQKAMIZMPO-GXTWGEPZSA-N 307.354 -0.293 30 20 DBED C#CCN1CCC[C@H](NC(=O)C(=O)Nc2cnn(C)c2C)C1 1353464244 HKSJHBNAFYLNGP-LBPRGKRZSA-N 303.366 -0.119 30 20 DBED C[C@@H](O)C[C@@H]1CCCN1C(=O)Cn1cc(C#N)c(O)nc1=O 1362313924 QNRZZWFOFVEETA-KOLCDFICSA-N 306.322 -0.418 30 20 DBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nn1ccnn1 1362611503 MYOQCJJTXDJPPH-VIFPVBQESA-N 320.334 -0.413 30 20 DBED CC[C@@H](C)[C@H](CNC(=O)Cn1cc(C#N)c(O)nc1=O)OC 1363297771 HANJVOBEDQASIO-KOLCDFICSA-N 308.338 -0.002 30 20 DBED C[C@@H]1OC(=O)N[C@@H]1C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N 1363504293 NCIWJROMMCNKAK-CBAPKCEASA-N 320.309 -0.447 30 20 DBED COc1ccc(CNC(=O)Cn2c(=O)[nH]cc(C#N)c2=O)cc1 1364617742 WEXBLYVRUMMESF-UHFFFAOYSA-N 314.301 -0.267 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N(C)CCn1cnnc1 1365455430 KNPADQQXAHFBJO-NSHDSACASA-N 300.388 -0.064 30 20 DBED COCC(=O)N(C)CC(=O)NC[C@@H](C)CNC(=O)[C@@H](C)C#N 1388446332 HENSDHAOPQBZIP-MNOVXSKESA-N 312.370 -0.881 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCN[C@@H](C)C(=O)NC(=O)NC1CC1 1391205196 AHIDGOBQZVETRZ-UWVGGRQHSA-N 309.370 -0.429 30 20 DBED CCN(CCC#N)C(=O)CN1CC(NC(=O)[C@@]2(C)CCOC2)C1 1404816764 AFGQFPVOEKHCTF-INIZCTEOSA-N 322.409 -0.024 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1cnc2n1CCCC2 1410151836 GYTRKQHFWIQKEA-QWRGUYRKSA-N 319.365 -0.414 30 20 DBED CC[C@H]1CO[C@@H](C)CN1C(=O)Cn1cc(C#N)c(O)nc1=O 1411829395 JGUXQBIMTYNKFX-ONGXEEELSA-N 306.322 -0.154 30 20 DBED CCNC(=O)CCC(=O)NC[C@]1(O)CCN(C(=O)[C@@H](C)C#N)C1 1417438593 UNZTVNHUFYOXLP-XHDPSFHLSA-N 324.381 -0.858 30 20 DBED C[C@H](C(=O)NC[C@H]1CCCN1CCCO)n1cnc(C#N)n1 1417876715 VZXSBODTGIJDPM-VXGBXAGGSA-N 306.370 -0.326 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@@H](O)CNC(=O)[C@H]2CCCO2)c1 1457899304 ASZTUZDYYAGPJO-ZYHUDNBSSA-N 306.322 -0.728 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1cn2cccnc2n1 1458032540 VLQIIJIBCKEOBT-ZJUUUORDSA-N 316.321 -0.904 30 20 DBED Cn1c(=O)[nH]c(NCC(C)(C)[C@@]2(O)CCCOC2)c(C#N)c1=O 1458496260 SOXCUYOQFBJPFH-OAHLLOKOSA-N 322.365 -0.075 30 20 DBED CCOC(=O)N1CSC[C@H]1C(=O)NCCn1cnc(C#N)n1 1459891275 RZDMBKFIMKLGBT-VIFPVBQESA-N 324.366 -0.203 30 20 DBED COC(=O)CNC(=O)[C@H]1CCCN1C(=O)c1cc(C#N)c[nH]1 1469186246 JKTAIMQWXFMKDF-LLVKDONJSA-N 304.306 -0.220 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCN1CCN(C(=O)[C@H]2CCOC2)CC1 1497858414 PSBLMYAJOIXFCZ-KBPBESRZSA-N 322.409 -0.215 30 20 DBED C[C@H](NC(=O)[C@H](C)NC(=O)N1CC[C@](O)(CC#N)C1)C(=O)O 1571112947 UICVOJQUXWOALW-MWODSPESSA-N 312.326 -0.976 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](C)N(C)c1cncc(-c2nn[nH]n2)n1 1573575968 CEKOKTNADQWYNP-DTWKUNHWSA-N 315.341 -0.243 30 20 DBED C[C@H](C#N)C(=O)N(C)CCN[C@H](C)C(=O)NCc1cnn[nH]1 1575178574 PDZGSPWDCWQCPF-NXEZZACHSA-N 307.358 -0.983 30 20 DBED COCC#CCN1CC[C@H](NC(=O)CCOCc2cnn[nH]2)C1 1576952071 DUOMWMBFTDUMKH-ZDUSSCGKSA-N 321.381 -0.448 30 20 DBED C#CCCCC(=O)NC[C@H](C)N=c1cc[nH]c(-c2nn[nH]n2)n1 1588338756 PBFQYWNLBIVGTO-JTQLQIEISA-N 314.353 -0.201 30 20 DBED C#CCCCCNC(=O)C(=O)N1C[C@H]2COCC[C@@]2(C(=O)O)C1 1588442834 YCGLJTAFFAKISU-BLLLJJGKSA-N 322.361 -0.144 30 20 DBED C=CCOC[C@H](NC(=O)[C@@]12CCC(=O)N1CCS2)C(=O)O 1588855408 FWHQFWMIGAWVPJ-ZANVPECISA-N 314.363 -0.176 30 20 DBED COc1cc(C(=O)N2CCNC(=O)[C@H]2CC(=O)O)ccc1C#N 1599351267 JSJKSPWJWSRGEB-LLVKDONJSA-N 317.301 -0.018 30 20 DBED C#CCN(CC(=O)O)c1nnnn1Cc1cc(C2CC2)n(C)n1 1602700988 QRXFFJUNSFXGTE-UHFFFAOYSA-N 315.337 -0.144 30 20 DBED CN(C)C[C@]1(O)CCN(c2cnc(C#N)c(-c3nn[nH]n3)n2)C1 1604680444 ODPPTWQYPKEUGI-CYBMUJFWSA-N 315.341 -0.969 30 20 DBED COC(=O)CN(CC#N)CC(=O)Nc1cccc(C(=O)O)n1 1606463635 CBCNICSLTFESNX-UHFFFAOYSA-N 306.278 -0.283 30 20 DBED N#C[C@]1(F)CCN(S(=O)(=O)c2cncc(-c3nn[nH]n3)c2)C1 1609494917 POZWXSRENKTQLN-LLVKDONJSA-N 323.313 -0.112 30 20 DBED C[S@@](=O)C1(CNC(=O)NCCn2cnc(C#N)n2)CCC1 1649800554 SMIGJDAUDAEOGI-OAQYLSRUSA-N 310.383 -0.250 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H](C)CCNC(=O)Cn1ccnc1C 1690880066 ZSGQQXVIVYJYMX-STQMWFEESA-N 319.409 -0.186 30 20 DBED C#CCNC(=O)CN[C@H](CNC(=O)c1coc(C)n1)C1CC1 1752456727 AYOSNOKRJQQNSN-GFCCVEGCSA-N 304.350 -0.170 30 20 DBED CC#CCN[C@H](CNC(=O)CN1C(=O)CN(C)C1=O)C1CC1 1752495701 ZZAPKUPZTHGAPU-GFCCVEGCSA-N 306.366 -0.612 30 20 DBED C=CCNC(=O)CN[C@H]1C[C@H](NC(=O)c2[nH]c(O)nc2C)C1 1752635467 CUUVNVKIGXNJLW-MGCOHNPYSA-N 307.354 -0.424 30 20 DBED C#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)CS(=O)(=O)NC)C1 1752707527 OLCHHFVJMYWZAN-QWHCGFSZSA-N 313.423 -0.518 30 20 DBED COCC#CCNC[C@H]1CCCN(C(=O)[C@H]2CCC(=O)NC2)C1 1752801316 KFVPLALDSGRJLU-CABCVRRESA-N 321.421 -0.009 30 20 DBED C[C@@H](C(=O)NC/C=C/CNCC(=O)NCC#N)n1cccn1 1754097525 TZOJOADZYGNURL-JDGPPOGSSA-N 304.354 -0.654 30 20 DBED C=CCN1CC[C@H](NC/C=C\CNC(=O)[C@@H]2[C@H]3COC[C@H]32)C1=O 1754158977 KKSIDJZGLZJIDL-GOWLRDQZSA-N 319.405 -0.072 30 20 DBED C#CCNC(=O)CNC/C=C/CNC(=O)c1cn(C)nc1Cl 1754192257 ABLNEENHOOZZAE-SNAWJCMRSA-N 323.784 -0.302 30 20 DBED C=CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)CN(C)S(=O)(=O)CC 1754429797 XDHFPYSYBZWDFP-MDZLAQPJSA-N 301.412 -0.357 30 20 DBED C#CCCN1CC[C@@](O)(CNC(=O)[C@@H](C)N2C(=O)CCC2=O)C1 1754755459 XCUMGIBILWNMAS-MLGOLLRUSA-N 321.377 -0.900 30 20 DBED CC(C)(C(=O)NC[C@H]1COCCN1CC(=O)NCC#N)C1CC1 1754970716 YQBXFZOEXWMWNP-ZDUSSCGKSA-N 322.409 -0.121 30 20 DBED CC(C)C#CC(=O)NC1(CCO)CN(CCS(C)(=O)=O)C1 1755331254 IBGLPSXVHWEZAQ-UHFFFAOYSA-N 316.423 -0.757 30 20 DBED C#CCNC(=O)CN1CC([C@H](C)NC(=O)[C@H](C)OCC2CC2)C1 1755374149 JMSOYADKTWAAKK-STQMWFEESA-N 321.421 -0.013 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@H](CNCCN(C)S(C)(=O)=O)C1 1755467484 XZXMAXFRBALDED-IJLUTSLNSA-N 316.427 -0.478 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2cnns2)[C@@H]1C 1755665831 SJLUVKOFBBBZCX-NXEZZACHSA-N 307.379 -0.520 30 20 DBED C#CCCN(C)C[C@@H](O)CN(C)C(=O)c1ccc(=O)n(C)c1 1755803558 XIJMBVUUMQNIEH-CQSZACIVSA-N 305.378 -0.227 30 20 DBED C=CCOCC(=O)NC[C@H](C)N(C)C(=O)[C@]1(C)CCC(=O)N1 1756012129 UQUIBJXLSOXTMV-NHYWBVRUSA-N 311.382 -0.179 30 20 DBED C=CCCC(=O)N[C@@H](CO)CNC(=O)Cn1ccc(C)cc1=O 1756522239 FSWCHXWCHYTJKH-CYBMUJFWSA-N 321.377 -0.284 30 20 DBED C#CCCCC(=O)N[C@H](CO)CNC(=O)c1c[nH]nc1CC 1756531689 FBUJUGIULCDUBY-NSHDSACASA-N 306.366 -0.018 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H](CO)NC(=O)c2ccccn2)nc1 1756538989 VJMYBXRAUCZYIQ-ZDUSSCGKSA-N 324.340 -0.021 30 20 DBED C#Cc1cncc(C(=O)NC[C@H](CO)NC(=O)[C@@H](C)OCC)c1 1756547972 HFBZBCWJHXYMEK-BXUZGUMPSA-N 319.361 -0.305 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H]1CC[C@H](NC(=O)C(F)F)C1 1756634043 XRDZYPKMYJKMHP-UWVGGRQHSA-N 315.320 -0.208 30 20 DBED C=CCCCC(=O)N[C@@H]1CN(C(=O)[C@H]2COC(=O)N2)C[C@H]1O 1757028807 PGTUQHQAOVYPRS-GMTAPVOTSA-N 311.338 -0.861 30 20 DBED C=CCCC(=O)N[C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1OC 1757120979 SIRKGVPRSFXBJT-VXGBXAGGSA-N 307.354 -0.414 30 20 DBED C=C(C)[C@@H](CC(=O)N1CC[C@H](NC(=O)C(N)=O)[C@H]1C)OCC 1757538120 NNHVQABZHKJZGQ-GRYCIOLGSA-N 311.382 -0.051 30 20 DBED C[C@H](CN)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C#CC(=O)O)C2 1795960673 KFFFZEWZOBZOHC-WISYIIOYSA-N 307.350 -0.693 30 20 DBED C=CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800781293 YGWMNJGKLLFANC-QHBPRCKVSA-N 306.318 -0.760 30 20 DBED C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](C)n1cnnn1 1803096225 NRZLSDQGQRJGSD-YFKTTZPYSA-N 302.338 -0.495 30 20 DBED Cc1cccc2nc(Cn3c(=O)c(C#N)cn(C)c3=O)cc(=O)n12 11264501 WLYZEIBXHMMCGI-UHFFFAOYSA-N 323.312 -0.217 30 20 DBED C=C(C)CN(CC)C(=O)CN1CCN(S(N)(=O)=O)CC1 42634327 NLYRCCDODZNQQL-UHFFFAOYSA-N 304.416 -0.768 30 20 DBED C[C@](C#N)(NC(=O)CN1CCN(S(C)(=O)=O)CC1)C1CC1 52798027 NAYYAUOVLJBBNH-CYBMUJFWSA-N 314.411 -0.628 30 20 DBED CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)CC(=O)NCC#N)C1 66497828 NCRXUENHRCKGHS-GFCCVEGCSA-N 324.381 -0.640 30 20 DBED CN(CCCc1n[nH]c(N)c1C#N)CCNS(C)(=O)=O 119859501 NZWQQEWDYXVWEF-UHFFFAOYSA-N 300.388 -0.723 30 20 DBED CNC(=O)[C@H]1CN(CC(=O)Nc2cccc(C#N)c2)CCO1 184077703 UKBUQOCAYOEMKZ-CYBMUJFWSA-N 302.334 -0.056 30 20 DBED C/N=C(/NCC(=O)N(C)C)N1CC[C@H](NC(=O)NC2CC2)C1 262316271 QQVSWXUXPDKOQY-NSHDSACASA-N 310.402 -0.814 30 20 DBED COCCN(CC(=O)NCc1ccc(C#N)cc1)[C@H](C)C(N)=O 264375984 KJBUNGYBGRTAGI-GFCCVEGCSA-N 318.377 -0.003 30 20 DBED C#CCN(C)CCCNC(=O)C(=O)Nc1ccc(=O)n(CC)c1 293223283 BWRGAVMVAOIBSB-UHFFFAOYSA-N 318.377 -0.122 30 20 DBED CC[C@@H](C)N/C(N)=N/CCNS(=O)(=O)Cc1ccon1 304788343 JHWCUIPFTGNYNO-SECBINFHSA-N 303.388 -0.203 30 20 DBED N#Cc1ncccc1S(=O)(=O)N1CCN([C@@H]2CCNC2)CC1 319259463 BDWCFWLIMPGPGP-GFCCVEGCSA-N 321.406 -0.379 30 20 DBED CS(=O)(=O)N1CC[C@H](C/N=C(/O)NC[C@@H]2CCCO2)C1 328668793 DUWSTYHCCXQEHY-MNOVXSKESA-N 305.400 -0.050 30 20 DBED CS(=O)(=O)N1CCC[C@@H]1C/N=C(/O)CN1CCCC1=O 328775790 FISOOGOOWZRSQT-SNVBAGLBSA-N 303.384 -0.011 30 20 DBED NS(=O)(=O)[C@@H]1CCN(/C(O)=N/[C@@H]2CCN(C3CC3)C2)C1 328865777 ZQPLLFZVBITEDQ-MWLCHTKSSA-N 302.400 -0.500 30 20 DBED O=C(C/N=C(/O)N1CCC[C@@H](n2cncn2)C1)N1CCOCC1 329187092 BAOCEPQNSHRTMB-GFCCVEGCSA-N 322.369 -0.312 30 20 DBED C[C@H](O)CN/C(O)=N/CCS(=O)(=O)N1CCSCC1 331250820 SPAVNZJDZJRYEH-VIFPVBQESA-N 311.429 -0.751 30 20 DBED COCCN1CC[C@@H](NS(=O)(=O)N(C)[C@@H](C)CC#N)C1 337789088 ZUFHAMQKOYSCMN-NWDGAFQWSA-N 304.416 -0.225 30 20 DBED C=CC[C@H](CO)CNC(=O)CN1C(=O)C(=O)N(CC=C)C1=O 342191397 DXYHKFQATKRREP-JTQLQIEISA-N 309.322 -0.736 30 20 DBED COC(=O)[C@@H](O)CNS(=O)(=O)c1c(F)cc(C#N)cc1F 352070624 UXFBAWDHORRQOG-VIFPVBQESA-N 320.273 -0.351 30 20 DBED CNS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1C 360765898 QWSVTTRIXHSCEH-UHFFFAOYSA-N 303.365 -0.295 30 20 DBED C=CC[C@@H](CO)CNC(=O)NCC1CN(S(=O)(=O)CC)C1 439941037 MSCNPRALRRPLGR-LLVKDONJSA-N 319.427 -0.248 30 20 DBED COC(=O)Cn1cc(CNC(=O)c2ccc(C#N)nc2)nn1 441904328 GLBZEFLJXSQHDY-UHFFFAOYSA-N 300.278 -0.352 30 20 DBED C=C(CC)CNC(=O)CCS(=O)(=O)NCC(=O)NC(C)C 456812612 NRGHHPCDQCKWSR-UHFFFAOYSA-N 319.427 -0.097 30 20 DBED C#CCNC(=O)CCN1CCN(c2c(C#N)c(C)nn2C)CC1 491165038 HXHLFNLNBUTBCU-UHFFFAOYSA-N 314.393 -0.138 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)CC2(O)CCCCC2)CC1 491209233 DHYHZJVPRVMMBN-UHFFFAOYSA-N 321.421 -0.035 30 20 DBED N#CCNC(=O)CNC(=O)[C@]1(O)CCN(Cc2ccccc2)C1 553309602 UNKIEKSRRRXMQQ-INIZCTEOSA-N 316.361 -0.621 30 20 DBED N#Cc1nc(=Nc2cnn(CC(=O)N3CCOCC3)c2)cc[nH]1 569623849 QALOVTPVYJWWCQ-UHFFFAOYSA-N 313.321 -0.431 30 20 DBED C=CCOC[C@H](NS(=O)(=O)CC[C@H]1CCOC1)C(=O)O 580560736 VYFQZOPAZJYFCF-MNOVXSKESA-N 307.368 -0.012 30 20 DBED N#CC1CN(C(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)C1 590490677 LQVCDCKVCKXWME-UHFFFAOYSA-N 321.358 -0.023 30 20 DBED C[C@H]1CCN(C(=O)C(=O)Nc2ccn(CCC#N)n2)C[C@@H]1CO 598664434 GOZAWZRJFKOSKT-NWDGAFQWSA-N 319.365 0.212 30 20 DBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)NCCOCCCN 599934464 MCKKHMYGFKNRET-UHFFFAOYSA-N 323.401 -0.197 30 20 DBED CC#CC[C@@H](CO)NS(=O)(=O)N(CCOC)CCOC 645882012 AYELIABHRLSLQZ-LBPRGKRZSA-N 308.400 -0.810 30 20 DBED C=C[C@@H](O)C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 646686850 AHRATHLHLGMSLY-CYBMUJFWSA-N 317.345 -0.578 30 20 DBED C=C[C@H](CO)NC(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 660866150 XAFYPCRJPRYLSG-ZIAGYGMSSA-N 312.414 -0.761 30 20 DBED C=CCOCC(=O)O[C@@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 729765441 JYKPKFQYFDMLGK-WDEREUQCSA-N 319.379 -0.234 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCN/C(O)=C1\N=CC=CC1=O 732153700 NPELLHZVUDXDOM-ZLUHGAPXSA-N 316.361 -0.273 30 20 DBED C#CC(C)(C)NS(=O)(=O)c1cnc2c(c1)c(O)nc(=O)n2C 733898624 NVUIPRQEXVFOHV-UHFFFAOYSA-N 322.346 -0.276 30 20 DBED C#CCNC(=O)[C@@H](C)OC(=O)c1cc(S(N)(=O)=O)oc1C 754143479 DLRCPNIJNFLNNF-MRVPVSSYSA-N 314.319 -0.470 30 20 DBED C#CCOCCC(=O)Oc1ccc(C(=O)NCC(N)=O)cc1 756559763 ZQKXVNXOTHYQMO-UHFFFAOYSA-N 304.302 -0.153 30 20 DBED CC#CCCOC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 760290300 XWSHBBDEQYHLPZ-NWDGAFQWSA-N 313.375 -0.021 30 20 DBED C#C[C@H](C)NC(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 773596650 FMUVLLQIOSRCOL-NWDGAFQWSA-N 317.411 -0.204 30 20 DBED C[C@@H](Oc1ccc(C=NNC2=NC(=O)C(=O)N2)cc1)C(=O)O 794923206 MXBIPTLSECGMRZ-SSDOTTSWSA-N 304.262 -0.526 30 20 DBED COCCN(CCC(=O)OC)S(=O)(=O)N(C)C[C@@H](C)C#N 800052593 CKLGNPXQFRGNHZ-NSHDSACASA-N 321.399 -0.166 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1)[C@H]1CCCO1 804732431 NVACKGMPDFYTKZ-SOUVJXGZSA-N 319.405 -0.116 30 20 DBED O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCO[C@@H](C(=O)O)C1 819691550 PCAXYMLFBOMDNH-LRZCVGBLSA-N 323.305 -0.785 30 20 DBED O=C(N[C@@H]1CCCN(O)C1=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 820482363 IDRYJBWBKWGVCC-HTQZYQBOSA-N 323.271 -0.106 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)C(C)(C)OCC)CC1 831584583 MMXQOGFDTBPFKY-UHFFFAOYSA-N 317.411 -0.587 30 20 DBED CCOC(=O)COCCNC(=O)N1CCN(C2CC2)[C@H](C#N)C1 836576646 ZCXDOGODHOVMLZ-CYBMUJFWSA-N 324.381 -0.052 30 20 DBED C#CCn1ccc(CN(CC)[C@@H]2CC(=O)N(CCCO)C2=O)n1 840740118 RNNLVPCOAMIRRB-CQSZACIVSA-N 318.377 -0.152 30 20 DBED N#C[C@@H]1CNC[C@@H]1NC(=O)Cn1nnnc1-c1ccsc1 843460045 LDEZMNNLZQNYJQ-ZJUUUORDSA-N 303.351 -0.371 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N1CC[C@](C)(C(=O)OC)C1 850711698 GJRXXJIBZHUQME-INIZCTEOSA-N 324.377 -0.104 30 20 DBED C#CCOCCNC(=O)C(F)(F)C(=O)NCCOCC#C 865973129 RTYFLZFPONKMLD-UHFFFAOYSA-N 302.277 -0.846 30 20 DBED CCN(C[C@@H](C)C#N)C(=O)COC(=O)[C@H]1CCS(=O)(=O)C1 919016530 UZRLMLVSUVAAJH-QWRGUYRKSA-N 316.379 -0.028 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](NC(=O)c2cc3n(n2)CCO3)C1 941092956 WHNQJVFYXGBWJS-VHSXEESVSA-N 303.322 -0.234 30 20 DBED CO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1NC(=O)c1ccc(O)nn1 941109352 WSKUFTPMNQMSBS-JMJZKYOTSA-N 319.321 -0.703 30 20 DBED C[C@H](C#N)C(=O)N1CCCN(C(=O)[C@H]2CCC(=O)NC2)CC1 941564845 KQAOSPKJHTWPLS-NEPJUHHUSA-N 306.366 -0.267 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(CC1)CN(C(=O)[C@H]1C[C@H]1C(N)=O)C2 945035118 JNJXCKAEZCIVPK-TUAOUCFPSA-N 318.377 -0.282 30 20 DBED CN1C[C@@H](C(=O)NC[C@@H]2CCN2C(=O)C#CC2CC2)CCC1=O 950444947 BCYJDALPYGTPRY-KBPBESRZSA-N 317.389 -0.015 30 20 DBED CN1C[C@H](C(=O)NC[C@H]2CCN2C(=O)C#CC2CC2)CCC1=O 950444950 BCYJDALPYGTPRY-ZIAGYGMSSA-N 317.389 -0.015 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)[C@H]1CCCO1 950755104 DGAMXXIZCJTGCL-SOUVJXGZSA-N 319.405 -0.020 30 20 DBED CCN1CCOC[C@H]1C(=O)NC[C@H]1CCN1C(=O)C#CC1CC1 950867653 IMOBDMKSOPOWRN-CABCVRRESA-N 319.405 -0.162 30 20 DBED C#Cc1cncc(C(=O)NC[C@@H]2CCN2C(=O)CC(N)=O)c1 952012538 SWRIVXPTVYPEFO-LBPRGKRZSA-N 300.318 -0.731 30 20 DBED C#Cc1ccc(C(=O)N(C)C2CCN(C(=O)C(N)=O)CC2)nc1 954121040 IAGYVFYQBWSHIB-UHFFFAOYSA-N 314.345 -0.389 30 20 DBED C[C@H](C#N)C(=O)N1CC(N(C)C(=O)c2cn3c(n2)COCC3)C1 954657369 YBTXQIOCSHPTJR-SNVBAGLBSA-N 317.349 -0.144 30 20 DBED C=CCN1C[C@H](CNC(=O)c2ccnc3[nH]nnc23)[C@@H](O)C1 958249256 SOIZGNCNEJKRMK-ONGXEEELSA-N 302.338 -0.439 30 20 DBED Cn1nnc(CN2C[C@H]3C(NC(=O)c4cc(C#N)c[nH]4)[C@@H]3C2)n1 958500132 MKZPTBDGUDGXSE-NXEZZACHSA-N 312.337 -0.730 30 20 DBED CC#CCN1C[C@@H](O)[C@@H](CNC(=O)c2coc(COC)n2)C1 958550657 DIFROXLLWHUHJI-WCQYABFASA-N 307.350 -0.133 30 20 DBED C=CCN1C[C@H]2[C@H](NC(=O)Cc3ccc(C(N)=O)nc3)[C@H]2C1 960553999 DJHSDHVFCUHQKJ-JYAVWHMHSA-N 300.362 -0.045 30 20 DBED Cc1ncncc1C(=O)NC[C@H]1COCCN1C(=O)[C@@H](C)C#N 964110592 IUKUJNJSBJORTD-JQWIXIFHSA-N 317.349 -0.098 30 20 DBED C#CCN1CC[C@@H](C)[C@@H](NC(=O)Cn2ccc(O)nc2=O)C1 967274712 RXEHIGKQIGGQFK-NEPJUHHUSA-N 304.350 -0.591 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)CCn1cnnn1 969737114 XHZSRFMKVFRPDO-UTUOFQBUSA-N 317.353 -0.575 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](N(C)CCN2C(=O)CCC2=O)C1 971211985 WCIUYCNVABTOSJ-RYUDHWBXSA-N 306.366 -0.172 30 20 DBED C#CCCN1C[C@H]2CC[C@H]1CN2C(=O)C1CC(=O)NC(=O)C1 971916926 AXJZRKISIVEGSY-QWHCGFSZSA-N 303.362 -0.262 30 20 DBED C=C(C)CN(C)[C@H]1CCN(C(=O)CN2CC(=O)N(C)C2=O)C1 972718338 MDVBSVWKWSHQRT-LBPRGKRZSA-N 308.382 -0.011 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)c3cnc(O)n3C)C[C@H]21 974981739 KRBUNHCUYGXRJH-HOSYDEDBSA-N 317.349 -0.042 30 20 DBED C[C@H](C#N)C(=O)N1CCCN(CC(=O)N2CCOCC2)CC1 980847593 HDYVIVQRLTXVNQ-CYBMUJFWSA-N 308.382 -0.461 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)C2CS(=O)(=O)C2)[C@H]1C 988211746 GPUUUZPSPHQUHT-NGZCFLSTSA-N 313.379 -0.704 30 20 DBED O=C(NC1CN(C(=O)C#CC2CC2)C1)c1cc2n(n1)CCO2 994210922 REGFEDQNQKAQJK-UHFFFAOYSA-N 300.318 -0.371 30 20 DBED C#Cc1cncc(C(=O)NC2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)c1 999316818 ASGKLZOTLNUAMY-OLZOCXBDSA-N 312.329 -0.875 30 20 DBED CC#CCN1CCC(N(C)C(=O)CN2CC(=O)NC2=O)CC1 1006147170 LUEIPSZPRCHGLI-UHFFFAOYSA-N 306.366 -0.516 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C(=O)c2cc(C(N)=O)co2)CC1 1012330822 NSVQFMVFXWISBV-VIFPVBQESA-N 304.306 -0.177 30 20 DBED C=CCN1C[C@@H]2CC[C@H](C1)N2C(=O)CC[C@@H]1NC(=O)NC1=O 1018248509 BRNREDPUQFQLLQ-TUAOUCFPSA-N 306.366 -0.164 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)c3nc[nH]n3)C[C@H]2O)C1 1025541946 IDLPLQRMGGPJFM-NXEZZACHSA-N 305.338 -0.538 30 20 DBED C#CCCN1CCC[C@H]1CNC(=O)C1CC2(C1)NC(=O)NC2=O 1028197019 VRRATKMXURTDKU-BGMSHATGSA-N 318.377 -0.422 30 20 DBED C=C(C)CCN1CC[C@H](CNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 1028837314 LDKOFYHVEWNVEU-NEPJUHHUSA-N 308.382 -0.011 30 20 DBED C=CCCN1CC(CNC(=O)C2CC3(C2)NC(=O)NC3=O)C1 1032048013 QWSUVTFPVAPASZ-UHFFFAOYSA-N 306.366 -0.401 30 20 DBED C#CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC(=O)N(CCOC)C1 1032431285 AYBQVIGETZJWPA-RDBSUJKOSA-N 305.378 -0.600 30 20 DBED CC#CCN1CCO[C@H](CNC(=O)[C@@H]2CN(C(C)=O)CCO2)C1 1035593761 ZTRBWWGNHWSXKC-CABCVRRESA-N 323.393 -0.926 30 20 DBED C#CCCN1C[C@H]2C[C@H]1[C@H]2NC(=O)c1coc(S(N)(=O)=O)c1 1037473064 VBPYRSJBMLMMBK-CDMKHQONSA-N 323.374 -0.247 30 20 DBED CC[C@@H]1CN(C(=O)c2cn(CC(N)=O)nn2)CC[C@@H]1NCC#N 1037984355 RDNFBDPWRIMGPT-MNOVXSKESA-N 319.369 -0.883 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@]1(O)CCN(C(=O)c2cc[nH]c2)C1 1039725314 GJWDHHHRDRXSES-LRDDRELGSA-N 319.361 -0.254 30 20 DBED C=CC(C)(C)C(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2CCNC2=O)C1 1040490438 ISERRRAWHXBHRY-BDJLRTHQSA-N 323.393 -0.586 30 20 DBED C#CCCN1CC[C@@]2(CCN(C(=O)C3CC(=O)NC(=O)C3)C2)C1 1041742142 YSWKDTZALCLSJS-QGZVFWFLSA-N 317.389 -0.013 30 20 DBED C=CCCOCC(=O)N1CC(O)(CNC(=O)C2=COCCC2)C1 1041985122 RJRRNTQNVUFIRP-UHFFFAOYSA-N 324.377 -0.037 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2ocnc2C)C1 1042368265 IRZBCDBCUZGGOL-NSHDSACASA-N 321.333 -0.676 30 20 DBED Cc1[nH]nc(C(=O)N2CC(O)(CNC(=O)C#CC3CC3)C2)c1O 1042958362 LHIAFABXFWTRQS-UHFFFAOYSA-N 318.333 -0.860 30 20 DBED O=C(C#CC1CC1)NCC1(O)CN(C(=O)C23CCN(CC2)C3)C1 1042959025 TUUJOHPWKUNEOU-UHFFFAOYSA-N 317.389 -0.815 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)c2cn(CC=C)nn2)C1 1043104849 DCJSGHPURLKBKJ-UHFFFAOYSA-N 319.365 -0.267 30 20 DBED CC#CCN1CC(N(C)C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1 1043858480 JHDOSPKFJUJSHJ-UONOGXRCSA-N 307.394 -0.212 30 20 DBED Cc1cc(C(=O)NCC2(O)CN(C(=O)[C@@H](C)C#N)C2)nc(C)n1 1043882235 GDSQYUXEISYQKT-VIFPVBQESA-N 317.349 -0.444 30 20 DBED C#CCN[C@@H]1CCN(C(=O)CN2CC(=O)N(C)C2=O)[C@@H](C)C1 1044816106 JBWBGZICMMJCLF-NWDGAFQWSA-N 306.366 -0.517 30 20 DBED C#CCN1CC[C@H](N2CCN(C(=O)CCn3cncn3)CC2)C1 1046003245 ZQLWSBGXIQZMSM-HNNXBMFYSA-N 316.409 -0.480 30 20 DBED C#CCCN1CC[C@H](N2CCN(C(=O)C(C)(C)C(N)=O)CC2)C1 1046037434 PHXVZEQCYXXUAO-AWEZNQCLSA-N 320.437 -0.260 30 20 DBED C#CCCN1CC[C@H](N2CCN(C(=O)[C@@H]3CCNC3=O)CC2)C1 1046049282 MOZIOVOPZQHFCP-LSDHHAIUSA-N 318.421 -0.636 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)C2(CF)CC2)C1 1046354667 PYTCYJUGCPCEQQ-LLVKDONJSA-N 312.341 -0.536 30 20 DBED N#Cc1cccnc1N[C@H]1C[C@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 1047009446 MACFNUBFZUUJAL-DLOVCJGASA-N 314.349 -0.059 30 20 DBED C=CCn1cccc1C(=O)N(C)[C@H]1CN(CC(=O)NC)C[C@@H]1O 1047408783 BNTWZLUGCTXJIM-KBPBESRZSA-N 320.393 -0.463 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccn3nnnc3c2)C1 1047482590 DLYRIHFDISQHEI-STQMWFEESA-N 314.349 -0.735 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)C(=O)N2CCC[C@@H]2CC)C1 1047588692 PFEWGMAEGVIOPN-IHRRRGAJSA-N 307.394 -0.476 30 20 DBED C=CCCC(=O)N(C)[C@H]1CN(C(=O)[C@H]2CCCC(=O)N2)C[C@@H]1O 1048530918 OULXGAKJUIOXNB-AGIUHOORSA-N 323.393 -0.349 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)Cn2cccn2)C[C@@H]1O 1049388028 DJQMUFNZIQEQIU-WOPDTQHZSA-N 305.338 -0.927 30 20 DBED CCc1n[nH]cc1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)C#N)C1 1049388322 JLWSRTNYPZSZOZ-ICCXJUOJSA-N 319.365 -0.225 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)c1cn(CCOC)nc1C 1050919890 UNAVVVSWCZCCSO-AWEZNQCLSA-N 320.393 -0.098 30 20 DBED C#CCN1CCN([C@@H]2CCN(C(=O)c3[nH]c(O)nc3C)C2)CC1 1052041882 URTNBZOGENJMPL-CYBMUJFWSA-N 317.393 -0.111 30 20 DBED C#CCN1CCN([C@@H]2CCN(C(=O)CCc3cnn[nH]3)C2)CC1 1052087384 UYPPIITUNTUGBR-OAHLLOKOSA-N 316.409 -0.411 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)c1cc(=O)n(C)cn1)CCO2 1053291359 LDNLNIQZROSOOZ-UHFFFAOYSA-N 316.361 -0.670 30 20 DBED C#CCN1CC2(C1)CN(C(=O)[C@H]1CCc3cncn3C1)CCO2 1053316663 SUWWIALYPAIEFQ-AWEZNQCLSA-N 314.389 -0.008 30 20 DBED C#CCOCCC(=O)N[C@@]1(CO)CCCN(C(=O)C(F)F)C1 1055946193 QNSRBNVMXHYEDA-AWEZNQCLSA-N 318.320 -0.239 30 20 DBED N#Cc1cnc(N2C[C@H]3C(NC(=O)[C@@H]4COCCO4)[C@@H]3C2)cn1 1056135362 OIUHKFAUAZIOPO-UTUOFQBUSA-N 315.333 -0.686 30 20 DBED C#CCOCCC(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)C(N)=O 1056537429 KDKSAAVKIXXRMX-NWDGAFQWSA-N 307.350 -0.897 30 20 DBED C=CCn1cc(C(=O)N2CC[C@@H](N=c3cc[nH]c(C#N)n3)C2)nn1 1056795207 JNHRDPQPDVLSCW-LLVKDONJSA-N 324.348 -0.126 30 20 DBED C#CCCCCC(=O)NCCN(CCO)C(=O)CNC(C)=O 1056814803 FEIAFWOGJQYXAY-UHFFFAOYSA-N 311.382 -0.747 30 20 DBED CN(c1cnc(C#N)cn1)[C@H]1CCN(C(=O)[C@@H]2COCCO2)C1 1056869834 RYKIDSZBORWRNQ-STQMWFEESA-N 317.349 -0.199 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)[C@@H](C)n1cncn1 1057171337 XOERTQAMYKBZDJ-GFCCVEGCSA-N 309.370 -0.258 30 20 DBED O=C(C#CC1CC1)NCCN(CCO)C(=O)CC1OCCCO1 1057423739 KNOGHACYOOHTBX-UHFFFAOYSA-N 324.377 -0.510 30 20 DBED Cn1nncc1C(=O)N(CCO)CCNC(=O)C#CC(C)(C)C 1057472959 BTOOAGBVPLGDEB-UHFFFAOYSA-N 321.381 -0.585 30 20 DBED C=C[C@](C)(O)CC(=O)NCCN(CCO)C(=O)[C@H](O)C(C)C 1057485453 KQEGENMTNUVCQA-HIFRSBDPSA-N 316.398 -0.733 30 20 DBED C#CCOCCC(=O)N(CCO)CCNC(=O)c1ccncn1 1057578832 BDPWZXYNZABIRZ-UHFFFAOYSA-N 320.349 -0.933 30 20 DBED Cc1c(C(=O)N[C@H]2CCN(c3ccnc(C#N)n3)C2)nnn1C 1058334789 VLVMPUYIFCPPKD-JTQLQIEISA-N 312.337 -0.206 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N 1058873726 CMMIRXITXKTLMD-XQQFMLRXSA-N 309.366 -0.326 30 20 DBED N#Cc1nccnc1N[C@H]1C[C@@H](NC(=O)C2CS(=O)(=O)C2)C1 1059726698 OLEVHBFSQXBKGX-AOOOYVTPSA-N 321.362 -0.548 30 20 DBED C#CCNC(=O)CC(=O)N1CCOC[C@@H]1CNC(=O)CCC 1061206382 LUFUOKDUPVNBER-LBPRGKRZSA-N 309.366 -0.730 30 20 DBED Cn1nncc1C(=O)NC[C@@H]1CCN(c2cnc(C#N)cn2)C1 1061592903 SZRVXTZSABLRBL-JTQLQIEISA-N 312.337 -0.267 30 20 DBED C=CCCC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1CCCNC1=O 1061659402 WIFVEDDNDMEATG-QWHCGFSZSA-N 323.393 -0.178 30 20 DBED C#CCNC(=O)CC(=O)N1CCCC[C@@H]1CNC(=O)[C@@H](C)OC 1062140307 LGQYEMXXTYFBCX-CHWSQXEVSA-N 323.393 -0.342 30 20 DBED C#CCCCC(=O)NC1(CNC(=O)Cn2cnnc2O)CCC1 1062831804 UBUJPMBVXTZCJN-UHFFFAOYSA-N 319.365 -0.058 30 20 DBED N#Cc1nccnc1N1CCO[C@H](CNC(=O)c2cnn[nH]2)C1 1063673423 LQNSXYSFLAYJNH-SECBINFHSA-N 314.309 -0.898 30 20 DBED N#Cc1cncc(N2CC[C@H]3CN(C(=O)C(N)=O)CC[C@@H]32)n1 1064034561 XVUKETPIVRNCHM-ONGXEEELSA-N 300.322 -0.739 30 20 DBED N#Cc1cncc(NC[C@@H]2CCCN2C(=O)Cn2cnnn2)n1 1064855987 KWSCCRCNZLQOLX-NSHDSACASA-N 313.325 -0.562 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@H](NC(=O)CCOC)CC1 1065722892 WATIUKXMRDBYKL-ZDUSSCGKSA-N 323.393 -0.340 30 20 DBED N#Cc1cncc(N2CCOC[C@@H]2CNC(=O)c2ccon2)n1 1066468338 CQBKQGIHDFNDRZ-NSHDSACASA-N 314.305 -0.029 30 20 DBED N#Cc1cccnc1N1C[C@@H](O)[C@H](CNC(=O)c2cnn[nH]2)C1 1067698605 ZRJHQPNPKDBKGR-ZYHUDNBSSA-N 313.321 -0.702 30 20 DBED C[C@H](C#N)C(=O)N1CCOC2(CN(C(=O)CCCN(C)C)C2)C1 1068451071 GDHXELWSMDTDNF-CYBMUJFWSA-N 322.409 -0.072 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2cc[n+]([O-])cc2)C1 1069892676 KGHCQAAQVWZUTH-KGLIPLIRSA-N 314.349 -0.247 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)Cc2ccnn2C)C1 1069917522 VSBGDVZKPPMFOQ-KGLIPLIRSA-N 315.381 -0.218 30 20 DBED CC#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@]2(F)CCOC2)C1 1070007810 BCIGOQZNMKYDGT-IPYPFGDCSA-N 321.356 -0.229 30 20 DBED C=CCN[C@@H]1CN(C(=O)c2nonc2C)C[C@@H]1n1ccnn1 1070338206 WXOBEZLGNRCLRO-MNOVXSKESA-N 303.326 -0.189 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CCCN(C(=O)[C@H](C)NC(N)=O)C1 1070656904 FFGPDNMRQNKTEZ-NWDGAFQWSA-N 308.382 -0.190 30 20 DBED C#CCC1(C(=O)N2CCC[C@@H](NC(=O)C(N)=O)C2)CCOCC1 1070834317 FICLJUSKEXSUBZ-GFCCVEGCSA-N 321.377 -0.601 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)[C@H]4CCN(C)C4)C[C@@]3(C1)O2 1070888899 HHTRDAZIHHLYJT-LJIGWXMPSA-N 303.406 -0.127 30 20 DBED N#CCN1CCNC(=O)CCN(C(=O)C2CCC(O)CC2)CC1 1070958814 UPLYROISDINMJK-UHFFFAOYSA-N 322.409 -0.288 30 20 DBED C#CCN1CCN([C@@H]2CCCN(C(=O)c3cnn[nH]3)C2)C(=O)C1 1071267904 SKJIQOXBVSCEJP-GFCCVEGCSA-N 316.365 -0.813 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CC[C@H](C)N(CC(=O)NC)C2)nn1 1071880901 UMGLJQPVJRPGRL-RYUDHWBXSA-N 320.397 -0.207 30 20 DBED C#CCN1C[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)CC[C@@H]1C 1071992353 KOJBMYACHZCFTB-QWRGUYRKSA-N 314.349 -0.367 30 20 DBED C#CCOCCC(=O)N1C[C@H](C)[C@H](NC(=O)Cn2nccn2)C1 1072101633 QBOSLPHGCFYFKR-QWHCGFSZSA-N 319.365 -0.719 30 20 DBED C#CCN1CCC2(C1)CN(C(=O)[C@H]1CC(=O)N(CCOC)C1)C2 1072797305 TWLLMTLKRICSQA-AWEZNQCLSA-N 319.405 -0.351 30 20 DBED C[C@@H](C#N)C(=O)NC1(C)CCN(C(=O)[C@@H]2CN(C)CCO2)CC1 1072922689 XJHXFBDRQPUWPE-STQMWFEESA-N 322.409 -0.026 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCC(C)(NC(=O)CC(N)=O)CC1 1073108487 ZVIYLWZFTJNLPY-NSHDSACASA-N 311.382 -0.050 30 20 DBED C=CCOCC(=O)N1CC[C@@H](NC(=O)CNC(N)=O)[C@H](C)C1 1073705063 PZRLYJWVDFZIOQ-GHMZBOCLSA-N 312.370 -0.790 30 20 DBED C#CCCCC(=O)NCC[C@H](C)NC(=O)C1CS(=O)(=O)C1 1076298026 VSIJWWPKMNNESK-NSHDSACASA-N 314.407 -0.155 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)C1 1077046531 WDXJAPMPRDLWOQ-RBSFLKMASA-N 321.421 -0.018 30 20 DBED C[C@@H](C(=O)N[C@@H]1CN(CC#N)C[C@H]1O)n1nnnc1C(C)(C)C 1077110529 WOICXFIBCRWTIV-HBNTYKKESA-N 321.385 -0.784 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3nnnn3CC2)C1 1077705510 TWOHXDOCUDDPAS-JHJVBQTASA-N 320.397 -0.637 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)C(=O)N2CCC[C@@H](C)C2)C1 1077788996 XIVZPJNKPZQKKJ-MGPQQGTHSA-N 307.394 -0.571 30 20 DBED C=CCCO[C@H](C)C(=O)N[C@@H](C)CCNC(=O)c1nnn(C)n1 1077879348 CYFHSPMKLYPTGG-WDEREUQCSA-N 324.385 -0.184 30 20 DBED C#CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)[C@H]2CCNC2=O)C1 1079775074 RVAUUJAAYBYERA-YPMHNXCESA-N 321.377 -0.780 30 20 DBED CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)CCNC(=O)NC)C1 1080413358 WVVHIVOYFODFBE-SNVBAGLBSA-N 309.370 -0.476 30 20 DBED CC(=O)N[C@@H](C)C(=O)NC1(CO)CCN(C(=O)[C@@H](C)C#N)CC1 1080703093 OWEPLLMGFPPRON-QWRGUYRKSA-N 324.381 -0.860 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cnccn2)C1 1081204413 JDDNVCRZDLWIPT-GXTWGEPZSA-N 316.361 -0.315 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2cnn(C)c2)C[C@H]1O 1081344506 QVKFAIFONVPDCC-WCQYABFASA-N 322.365 -0.828 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2nc(C)c[nH]2)C[C@@H]1O 1081346270 GGRRSBOPOCOTSV-NEPJUHHUSA-N 322.365 -0.530 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)c2ccnnc2)C[C@H]1O 1081465101 BIDYKKHDQPVQSU-UONOGXRCSA-N 316.361 -0.315 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(C(=O)c2ccnnc2)C[C@H]1O 1081475316 ZOIYJFSHAMXSDS-ZIAGYGMSSA-N 314.345 -0.561 30 20 DBED COc1cc(OC)nc(C(=O)N[C@@H]2CN(CC#N)C[C@H]2OC)n1 1081856087 XNRVDIDWMKQIFL-NXEZZACHSA-N 321.337 -0.554 30 20 DBED C=CCN1C[C@@H](NC(=O)c2cn([C@@H]3CCOC3)nn2)[C@H](OC)C1 1082310293 JWSIRXBUEWDMMK-YRGRVCCFSA-N 321.381 -0.146 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1ccc(O)nn1 1082988812 NMDXBCJGVGCXKH-QWHCGFSZSA-N 302.334 -0.269 30 20 DBED Cn1nccc1CCC(=O)N1CCO[C@@H]2CN(CC#N)C[C@@H]21 1083096914 CNBIHZDBJQGSIX-UONOGXRCSA-N 303.366 -0.212 30 20 DBED C=CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1C[C@H]1C(=O)N(C)C 1083194550 VKYQXWCJYJJKHC-ZOBORPQBSA-N 307.394 -0.192 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)C[C@H]2CCN(C)C2=O)C1 1083548864 GZYSNBQORCJQCQ-UTUOFQBUSA-N 315.801 -0.231 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2ccnc(N3CCCC3)n2)C1 1083580534 JIRIRFPIJZFEHC-KGLIPLIRSA-N 315.377 -0.515 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)C2CCN(C(C)=O)CC2)C1 1084041791 KFTJARWZQZZUJX-CABCVRRESA-N 307.394 -0.571 30 20 DBED C=CCn1cc(C(=O)NCc2nc(O)cc(CNCC)n2)nn1 1087260346 IRCMZAJNZIJNEO-UHFFFAOYSA-N 317.353 -0.001 30 20 DBED N#CCN[C@@H]1CCCCCN(C(=O)C[C@H]2CC(=O)NC2=O)C1 1088435859 RGWZMQBVDYLUKN-VXGBXAGGSA-N 306.366 -0.076 30 20 DBED N#CCN1C[C@@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)Cn2cnnn2)C1 1089771400 ZFSWKJFRVYQFGE-RVMXOQNASA-N 301.354 -0.635 30 20 DBED Cn1nnc2ccc(C(=O)N[C@H]3CCN(CC#N)C[C@H]3O)cc21 1090759117 DDVLNUIGRJFMJP-GXTWGEPZSA-N 314.349 -0.343 30 20 DBED CC[C@H](C(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@@H]1O)N(C)C 1091124676 YNZMQFCVSJGANC-MCIONIFRSA-N 317.393 -0.041 30 20 DBED CC(=O)N[C@H](C)C(=O)N[C@H]1CCN(c2cnc(C#N)cn2)[C@@H]1C 1091923193 VYKLMRUTRNXYSF-BREBYQMCSA-N 316.365 -0.044 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CCN(c2ccncc2C#N)C[C@@H]1O 1092130856 XVDAGBAMSOCIEC-OCCSQVGLSA-N 317.349 -0.855 30 20 DBED CS(=O)(=O)CC(=O)NCC1CC(Nc2ccc(C#N)nn2)C1 1092212164 FMKKSKDCSZYALD-UHFFFAOYSA-N 323.378 -0.300 30 20 DBED C#CCO[C@H](C)C(=O)NC1[C@H]2CN(c3nccnc3C#N)C[C@H]12 1093310124 FKDUVWOPHVKSQX-WOPDTQHZSA-N 311.345 -0.063 30 20 DBED C#CCN1CC(n2cc(CNC(=O)[C@H]3C[C@H]4CC[C@H]3O4)nn2)C1 1094281525 VZAWIALBZSHRCB-QLFBSQMISA-N 315.377 -0.048 30 20 DBED C#CCCN1CC(N2C[C@@H](NC(=O)C[C@@H]3CCCO3)CC2=O)C1 1094710629 VODJTGNGBQTVHU-ZFWWWQNUSA-N 319.405 -0.020 30 20 DBED N#Cc1ccc(N2CC[C@@H](NC(=O)CO[C@@H]3CCOC3)C2)nn1 1096439387 GVRRSPDIYDRTBD-CHWSQXEVSA-N 317.349 -0.151 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1C[C@@H](Nc2ccc(C)nn2)C1 1097176784 VYUXIEMOWQTKRH-TXEJJXNPSA-N 301.350 -0.016 30 20 DBED C[C@H](CC(=O)N[C@H]1C[C@@H](N=c2cc[nH]cc2C#N)C1)NC(N)=O 1097224545 KFKFERJMUZJUDF-JLLWLGSASA-N 316.365 -0.119 30 20 DBED C[C@@H](CNC(=O)c1cn(C)c(=O)n1C)Nc1cnc(C#N)cn1 1097895221 OVBLDXUFNWVJTM-VIFPVBQESA-N 315.337 -0.384 30 20 DBED C#CCN(CCO)C1CCN(C(=O)c2ccc(=O)n(C)c2)CC1 1098418892 NZZSVXMNTOEXQE-UHFFFAOYSA-N 317.389 -0.083 30 20 DBED C[C@H](CNC(=O)c1nnc(O)nc1O)Nc1cncc(C#N)n1 1098435680 RIPGCKPCWMFWTP-ZCFIWIBFSA-N 316.281 -0.825 30 20 DBED C#CCNCc1cn([C@@H]2CCN(C(=O)CN3CCCC3)C2)nn1 1098780292 UFOMNPZOSJQCMT-OAHLLOKOSA-N 316.409 -0.130 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H]3CC[C@@H]([C@H]2C1)N(C(=O)COC)C3 1099373229 UKTGJMSLTNMUFD-AJNGGQMLSA-N 319.405 -0.449 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)Cc2nnc(C)o2)[C@H](O)C1 1099802160 QABUBPOZQGYYDU-CHWSQXEVSA-N 322.365 -0.878 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)c2oncc2C)[C@@H](O)C1 1100062113 OBJDMJSUGVVULS-NEPJUHHUSA-N 322.365 -0.550 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CCc2cnn(C)c2)[C@@H](O)C1 1100124456 IHQIZXTXJSTTLH-CABCVRRESA-N 304.394 -0.073 30 20 DBED C=CCCOCC(=O)N[C@@H]1CCN(CC(=O)NCC)C[C@@H]1O 1100138805 LBNFWIIRKSYLCK-OLZOCXBDSA-N 313.398 -0.733 30 20 DBED CCN(CCNC(=O)[C@H]1CC[C@@H]1C(N)=O)c1ccnc(C#N)n1 1100695322 TUSBPWANLPKAKJ-QWRGUYRKSA-N 316.365 -0.198 30 20 DBED N#Cc1cnc(N2CCC[C@@H]2CNC(=O)Cn2ncnn2)cn1 1100868010 LPJWDRMOZMKJJJ-LLVKDONJSA-N 313.325 -0.880 30 20 DBED COC(=O)NCC(=O)N(C)CCNc1nc(C)cc(C#N)n1 1101507157 PUVNKHRJOXNICX-UHFFFAOYSA-N 306.326 -0.117 30 20 DBED CN(CCNc1ccc(C#N)cn1)C(=O)C[C@@H]1NC(=O)NC1=O 1102015015 GXECAIPVCMXTQF-JTQLQIEISA-N 316.321 -0.578 30 20 DBED CC(=O)NCC(=O)NCC[C@H]1CCN(c2nccnc2C#N)C1 1102268793 SRRSNQUBKDFIEA-LBPRGKRZSA-N 316.365 -0.183 30 20 DBED C[C@H](CNC(=O)CS(C)(=O)=O)CNc1cnc(C#N)cn1 1103866602 LBVDKBDTEXPZLQ-VIFPVBQESA-N 311.367 -0.443 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)c1ncn(C)n1 1103929433 YLKSZZHDIVALIV-VIFPVBQESA-N 300.326 -0.623 30 20 DBED C[C@H](CNC(=O)c1cnnn1C)CNc1nccnc1C#N 1103962319 VKGNKFYXPUBTDZ-VIFPVBQESA-N 300.326 -0.045 30 20 DBED C[C@@H](CC(=O)NC[C@H](C)CNc1cncc(C#N)n1)NC(N)=O 1104098868 FNVWUUXPODJUIU-ZJUUUORDSA-N 319.369 -0.041 30 20 DBED C[C@@H](CN=c1cc[nH]cc1C#N)N(C)C(=O)C1CS(=O)(=O)C1 1104698557 ZWNBHKFOSOGUTQ-JTQLQIEISA-N 322.390 -0.321 30 20 DBED C=CCCCCCNCc1cn(C2CN(C(=O)C(N)=O)C2)nn1 1105315250 DDNZUKMPZPPBAH-UHFFFAOYSA-N 320.397 -0.017 30 20 DBED CN(CCN(C)c1ccc(C#N)nn1)C(=O)Cn1cncn1 1105403779 VHSDYRPMFMNLHO-UHFFFAOYSA-N 300.326 -0.465 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCC(OC2CN(CCO)C2)CC1 1105703907 KOYUPPVPTKXCTE-INIZCTEOSA-N 312.410 -0.002 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)Cn2cccn2)nc1 1105722541 QMKCIUGAGIKHCS-GFCCVEGCSA-N 300.322 -0.261 30 20 DBED CC(=O)N[C@@H](C)C(=O)NC[C@H](O)CNc1ccc(C#N)nc1 1105734860 FRMVMOUHYXPOMR-TVQRCGJNSA-N 305.338 -0.633 30 20 DBED CC(C)(C)C(=O)C(=O)NC[C@@H](O)CNc1cnc(C#N)cn1 1105766429 ZATJCKWZVWGUBI-JTQLQIEISA-N 305.338 -0.148 30 20 DBED CCn1ccnc1C(=O)NC[C@H](O)CNc1nccnc1C#N 1105802399 MLJKYVVOLSRWAC-SNVBAGLBSA-N 315.337 -0.233 30 20 DBED C=CCCOCC(=O)NC[C@H](O)CN=c1cc[nH]cc1C#N 1105890644 VEYUWVKVRIAIAZ-CYBMUJFWSA-N 304.350 -0.143 30 20 DBED Cc1ncn(C)c1C(=O)NC[C@H](O)CNc1cncc(C#N)n1 1105999863 XEIDTVIADFAEPP-LLVKDONJSA-N 315.337 -0.407 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)COCC(F)F)nn1 1106032157 MODHZHHQWCFXOE-SECBINFHSA-N 315.280 -0.481 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](C)[C@H](CNC[C@@H](C)OC)C1 1106034359 CCJOXLJEFJVCGQ-MGPQQGTHSA-N 309.410 -0.155 30 20 DBED N#Cc1nccnc1NC/C=C\CNC(=O)[C@@H]1COC(=O)N1 1107174766 ALHSJLCXFORXGI-SYBPUXJVSA-N 302.294 -0.459 30 20 DBED CC#CCN1CCO[C@](C)(CNC(=O)CS(C)(=O)=O)C1 1107785699 HVNFPEPPINQHCT-CYBMUJFWSA-N 302.396 -0.739 30 20 DBED C[C@H](CNc1ccc(C#N)nn1)NC(=O)C[C@H]1CC(=O)NC1=O 1107825648 APZAYNCCIXNFHZ-BDAKNGLRSA-N 316.321 -0.682 30 20 DBED C[C@@]1(CNC(=O)C#CC2CC2)CN([C@@H]2CCCNC2=O)CCO1 1107933072 XVJGCXPAZUSMKU-RHSMWYFYSA-N 319.405 -0.115 30 20 DBED C#CCCN1CCO[C@@](C)(CNC(=O)C[C@@H](C)NC(N)=O)C1 1107942476 TVOLPPAIANWQCY-DOMZBBRYSA-N 310.398 -0.336 30 20 DBED C[C@H](CNc1nccnc1C#N)NC(=O)[C@H]1CCCC(=O)N1 1107981547 YRUDXZKZHTYANJ-NXEZZACHSA-N 302.338 -0.066 30 20 DBED Cc1cc(C#N)nc(NC[C@H](C)NC(=O)CS(C)(=O)=O)n1 1108281901 YFVLDNVVISOUCM-VIFPVBQESA-N 311.367 -0.382 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)C[C@@](C)(O)C3CC3)CC2=O)C1 1108536991 LEQPWKYEARSLPJ-CXAGYDPISA-N 319.405 -0.428 30 20 DBED C#CCCCC(=O)N[C@H]1CC(=O)N(C2CN(C[C@@H](C)O)C2)C1 1108538671 LJEWDPDHFIJGSI-OLZOCXBDSA-N 307.394 -0.428 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CC(=O)N(C2CN(CCCO)C2)C1 1108543142 UCQHOULMJBJZPZ-CYBMUJFWSA-N 307.394 -0.571 30 20 DBED C[C@@H](CNc1cnc(C#N)cn1)NC(=O)CC1CS(=O)(=O)C1 1108595947 BAEDGNANRFIKLP-VIFPVBQESA-N 323.378 -0.300 30 20 DBED Cc1cc(N(C)C[C@@H](C)NC(=O)[C@H]2CNC(=O)N2)c(C#N)cn1 1109210907 KZSWUYSIZWGSSV-ZYHUDNBSSA-N 316.365 -0.116 30 20 DBED C[C@H](CN(C)c1nccnc1C#N)NC(=O)[C@@H]1CCC(=O)NC1 1109305334 ODCPFOWRIDXKFJ-GHMZBOCLSA-N 316.365 -0.185 30 20 DBED N#Cc1nc(=NC[C@@H](NC(=O)Cn2nccn2)C2CC2)cc[nH]1 1109912374 BOQUHRBYUISXDV-LLVKDONJSA-N 312.337 -0.631 30 20 DBED CC(=O)N[C@H](C)C(=O)NCC1(Nc2cncc(C#N)n2)CC1 1110056073 GKIPWGQPVPSXNK-SECBINFHSA-N 302.338 -0.066 30 20 DBED C[C@@H](C#N)C(=O)NC[C@]1(O)CCN(c2cncc(C#N)n2)C1 1111041476 ISCKGMUPKVPBNR-IINYFYTJSA-N 300.322 -0.435 30 20 DBED N#Cc1ccc(N2CC[C@](O)(CNC(=O)c3cnco3)C2)nn1 1111121672 LPKTXTCIABUSOB-AWEZNQCLSA-N 314.305 -0.293 30 20 DBED C#CCOCCC(=O)N(C)[C@H]1CN(c2ncc(F)cn2)C[C@@H]1O 1111190584 JHVYICOITWDVCU-STQMWFEESA-N 322.340 -0.337 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1111489493 ATTZRZDJKJNMAD-SYQHCUMBSA-N 320.393 -0.061 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)c2ccc(O)nn2)CC1 1112601099 CQNANYQQALPKNV-LLVKDONJSA-N 319.365 -0.369 30 20 DBED COCCC(=O)NC[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1O 1112688991 HRIBYGYUIWHMLN-ZYHUDNBSSA-N 305.338 -0.702 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)c3cc[nH]n3)[C@H]2C1 1113894430 URPUJTXAUZQNFK-DCQANWLSSA-N 301.350 -0.792 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3cnccc3C)[C@H]2C1 1114090536 GDJOWKLVDKODNA-FOLVSLTJSA-N 312.373 -0.201 30 20 DBED CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3cc(C#N)c[nH]3)[C@H]2C1 1114103107 FXJIQIPLGHJSSJ-YABSGUDNSA-N 301.350 -0.318 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@@H]2CN(Cc3nccs3)C[C@@H]12 1114157348 CPFIPXVGFVQQBI-GHMZBOCLSA-N 318.402 -0.171 30 20 DBED C=CCOCCN1C[C@@H]2C(NC(=O)C3CN(C(C)=O)C3)[C@H]2C1 1114175644 ICQAVQLAFOHHMN-KBPBESRZSA-N 307.394 -0.286 30 20 DBED CCNC(=O)NC(=O)CN1C[C@H]2C(NC(=O)C#CC(C)C)[C@@H]2C1 1114236811 BBRXKWHZMJVGNF-VXGBXAGGSA-N 320.393 -0.462 30 20 DBED C=C(C)CN1C[C@H]2[C@H](NC(=O)[C@H](C)NS(=O)(=O)CC)[C@H]2C1 1114311746 SPRMMNIUAQFVCQ-WUHRBBMRSA-N 315.439 -0.063 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)c3cn(C)nc3OC)[C@H]2C1 1114662944 PWEHNBXAWOGHBN-IMRBUKKESA-N 318.377 -0.262 30 20 DBED N#CCNC(=O)CN1C[C@H]2C(NC(=O)c3csc(O)n3)[C@@H]2C1 1114712308 JCHSAMHCYZTKRO-HTQZYQBOSA-N 321.362 -0.852 30 20 DBED C=CCCCC(=O)N[C@H]1[C@@H]2CN([C@@H](C)C(=O)NC(N)=O)C[C@@H]21 1114759216 DUBATGJDWHURKA-MEWQQHAOSA-N 308.382 -0.028 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)c3[nH]cnc3CC)[C@H]2C1 1115186586 XKGVVDORHQQVEV-QWRGUYRKSA-N 317.393 -0.066 30 20 DBED C=CCCOCCNC(=O)C(=O)N[C@@H]1C[C@@H]2CCCCN2C1=O 1118079559 HDQZIVVUDFWCBK-QWHCGFSZSA-N 323.393 -0.035 30 20 DBED CCCCCN(CCO)C(=O)C(=O)N1CC[C@](O)(CC#N)C1 1118182955 CGMVJEMTFWPFQE-OAHLLOKOSA-N 311.382 -0.125 30 20 DBED Cc1ccc(C#N)c(N[C@@H](CO)CNC(=O)c2cnnn2C)n1 1121385640 INASLYSBTDZMEE-LLVKDONJSA-N 315.337 -0.407 30 20 DBED Cc1nnc(CC(=O)NC[C@H](CO)Nc2ncccc2C#N)o1 1121432296 KIVPRYVRNKWUIQ-LLVKDONJSA-N 316.321 -0.224 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)Cc2cccnc2)nn1 1121446632 OFIPSJYHXCKKLB-CYBMUJFWSA-N 312.333 -0.125 30 20 DBED N#Cc1nc(=N[C@H](CO)CNC(=O)C2CCC(O)CC2)cc[nH]1 1121498737 YREBZWQWDBOLJV-CXQJBGSLSA-N 319.365 -0.790 30 20 DBED CC#CCNC1CC2(C1)CC(NC(=O)CN1CCNC(=O)C1)C2 1121508854 YRBSTQZAQZUDNU-UHFFFAOYSA-N 318.421 -0.542 30 20 DBED CN(C[C@@H](O)CNc1nccnc1C#N)C(=O)CC1(O)CCC1 1124279200 WKBCFMJBFOXGGZ-NSHDSACASA-N 319.365 -0.115 30 20 DBED CN(C[C@H](O)CNc1nccnc1C#N)C(=O)Cn1ccnc1 1124399518 RANULDZGNREGCC-LLVKDONJSA-N 315.337 -0.524 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C[C@H](O)CN=c1cc[nH]cc1C#N 1124520757 WQPHQXFQPFDIBF-TZMCWYRMSA-N 316.361 -0.355 30 20 DBED C=CC(C)(C)C(=O)N(C)C[C@H](O)CNc1nccn2nnnc12 1124683925 UERWWLVOTZICLU-SNVBAGLBSA-N 319.369 -0.037 30 20 DBED CC(C)(C)C#CC(=O)N[C@@H]1CN(CC(N)=O)C[C@@H]1n1ccnn1 1128979829 BIKJKZXGUOZDTC-NEPJUHHUSA-N 318.381 -0.846 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(CCOC)C[C@@H]1n1ccnn1 1128979992 JITCAUWCDMANPD-MCIONIFRSA-N 321.381 -0.696 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)CCCCC(N)=O)C1 1129385966 ULGXFJBZDWTQMN-OLZOCXBDSA-N 320.397 -0.149 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCNCC(=O)N(C)C(C)C 1129770364 FCBGJNQAEKIOHV-AWEZNQCLSA-N 308.426 -0.343 30 20 DBED CCC(=O)NCC(=O)N1C[C@@H](NCC#N)[C@H](c2cncn2C)C1 1130943782 IVFGILXDMUTEDX-VXGBXAGGSA-N 318.381 -0.646 30 20 DBED C=CCOCC(=O)N1C[C@@H](NCCCO)[C@H](c2cncn2C)C1 1130948297 DTQKRQSTKSUHOG-ZIAGYGMSSA-N 322.409 -0.111 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1cc(Cl)n(C)n1 1131103970 JOSABXPJDRTDIG-VIFPVBQESA-N 311.773 -0.469 30 20 DBED COCC#CCN1C[C@H]2C[C@H]3CN(C(=O)[C@@H](C)OC)C[C@@]3(C1)O2 1131186709 CYZZRQDSLGNMIN-JYYAWHABSA-N 322.405 -0.027 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)COCCN(C)C)C[C@@]3(C1)O2 1131285738 GGRXESCAHNBOEA-ZMSDIMECSA-N 321.421 -0.501 30 20 DBED CCN(C)CCC(=O)N[C@@H]1CC[C@H](C)N(CC(=O)NCC#N)C1 1132409724 DCJVWXCAWUBPSL-UONOGXRCSA-N 323.441 -0.063 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)c1cncn1C 1134885758 XFOAKJFJNKSBMB-NWDGAFQWSA-N 305.382 -0.344 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC2(CN(C(=O)[C@H](O)C(C)C)C2)C1 1147476692 ZVYXKHQTOKPDCB-ZIAGYGMSSA-N 321.421 -0.325 30 20 DBED N#CCNC(=O)CN1CCCO[C@H](CNC(=O)c2cc[nH]c2)C1 1149754019 YUWWQSXWXFMFQE-CYBMUJFWSA-N 319.365 -0.525 30 20 DBED COCC#CCN1CCCO[C@@H](CNC(=O)Cc2cnc[nH]2)C1 1150373590 XUPOFUOFDHJUIU-HNNXBMFYSA-N 320.393 -0.191 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)[C@@H](C)CS(C)(=O)=O)C1 1150787632 NYRADWNAPINIGT-QWHCGFSZSA-N 316.423 -0.493 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@H](C)N(CC)Cc1nnnn1C 1153012097 CMQDAHHVNAJRMN-BXUZGUMPSA-N 310.402 -0.136 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)Cc1cncnc1 1157225769 AGYJCTKKLVNFDI-LBPRGKRZSA-N 303.366 -0.747 30 20 DBED CCOc1ccc(C(=O)NCCCNCC(=O)NCC#N)cn1 1159319151 VXPACBGLUZWUPH-UHFFFAOYSA-N 319.365 -0.170 30 20 DBED CCCn1cc(C(=O)NCCCNCC(=O)NCC#N)c(C)n1 1169145614 QSLQFOMJYIGUGA-UHFFFAOYSA-N 320.397 -0.049 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)c1cnn(C)c1OC 1174737739 FKSVXHASOVVPEA-LLVKDONJSA-N 321.381 -0.724 30 20 DBED C[C@@H](CCCCNCC#N)NC(=O)[C@H]1CCN(C)S1(=O)=O 1175645956 WXIYTLHZRAMDKE-NWDGAFQWSA-N 316.427 -0.192 30 20 DBED Cc1nonc1C(=O)N[C@@H](C)CCCCNCC(=O)NCC#N 1176848504 YRQQQXNYKQKKNA-JTQLQIEISA-N 322.369 -0.104 30 20 DBED C=CCNC(=O)[C@H](C)NCCCCCCNC(=O)CC(N)=O 1178089896 VSCXRXORKFKXMA-LBPRGKRZSA-N 312.414 -0.181 30 20 DBED COC[C@@H](C)CC(=O)N1CC[C@H](NCC(=O)NCC#N)[C@@H]1C 1179821776 PDIJYMJFTODHCJ-AVGNSLFASA-N 310.398 -0.122 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2ccnc(C)n2)[C@H]1C 1180167812 YXDCKTFSNQRXKB-AAEUAGOBSA-N 315.377 -0.273 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2ccc(COC)o2)C1 1184085921 OFYUAGRIGWGWPG-GFCCVEGCSA-N 319.361 -0.021 30 20 DBED Cc1nc(C(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)cs1 1185137190 SJWCSNJUNOUTNJ-SNVBAGLBSA-N 307.379 -0.105 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)Cn2ccnc2C)C1 1187842351 KUXDHLIOOVCNFQ-CYBMUJFWSA-N 305.382 -0.316 30 20 DBED C=C(C)CCN(C)[C@H]1CCN(C(=O)CNC(=O)CNC(C)=O)C1 1190988346 AIROTXXWPQYOMO-AWEZNQCLSA-N 324.425 -0.262 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CN(Cc2nc(C(C)(C)C)n[nH]2)C[C@H]1O 1191854747 QZQWTZRQFHMHMH-GMTAPVOTSA-N 320.397 -0.077 30 20 DBED C=CCOCCCC(=O)N[C@@H]1CN(Cc2n[nH]c(C)n2)C[C@H]1O 1192054183 MXSXNROAJSKCAZ-CHWSQXEVSA-N 323.397 -0.243 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2oc(C)cc2C)C1 1192078150 BLDFRUMZBXQMMM-CHWSQXEVSA-N 319.361 -0.579 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC2(F)F)C1 1194023760 OWWMTZKJNHUCBD-GMTAPVOTSA-N 317.336 -0.505 30 20 DBED COCC#CCN(C)[C@@H]1CCN(C(=O)c2c[nH]c(C(N)=O)c2)C1 1194049707 XVSVJWJHCSEONK-CYBMUJFWSA-N 318.377 -0.090 30 20 DBED N#CCN1CCCN(C(=O)CNC(=O)c2ccccn2)CC1 1198236759 YBICGDXOFZHZIY-UHFFFAOYSA-N 301.350 -0.131 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)[C@@H](C)OCC#C)CC1 1200531580 FYFPVBHPTDXGQK-CYBMUJFWSA-N 305.378 -0.645 30 20 DBED Cn1[nH]c(CN[C@H]2CCCN(C(=O)CSCC#N)C2)nc1=O 1207410175 PJLZBQROANRFCH-JTQLQIEISA-N 324.410 -0.554 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)COCC2CC2)C1 1207498187 GMWJCMSDWCNZRQ-CQSZACIVSA-N 307.394 -0.257 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@@]2(C)CCNC2=O)C1 1209614735 QAENAYKWXQTXQS-WBMJQRKESA-N 322.409 -0.605 30 20 DBED C#CCCN[C@@H]1CCCN(C(=O)C(C)(C)NS(C)(=O)=O)C1 1210019271 XLWRXRGLXZARGV-GFCCVEGCSA-N 315.439 -0.082 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@H](C)CCOC)C1 1211159675 JXKYBFJVSFWJSJ-ZIAGYGMSSA-N 309.410 -0.011 30 20 DBED C=CCN1CC[C@H](N2C[C@@H](NC(=O)COC)[C@H](OC)C2)C1=O 1211750184 LIVSABKKGJTPLW-FRRDWIJNSA-N 311.382 -0.765 30 20 DBED COc1nccc(CN2C[C@@H](NC(=O)[C@@H](C)C#N)[C@H](OC)C2)n1 1212038903 ANNYCIGEEMTHKE-CYZMBNFOSA-N 319.365 -0.040 30 20 DBED CC#CCN1C[C@@H](NC(=O)[C@H](NC(C)=O)C(C)C)[C@H](OC)C1 1213756607 YGKOABVXYOWHCE-RBSFLKMASA-N 309.410 -0.014 30 20 DBED C#CCCN1C[C@@H](NC(=O)[C@@H](CCC)NC(N)=O)[C@H](OC)C1 1213787776 SMUZAAUJCQIHIN-JHJVBQTASA-N 310.398 -0.338 30 20 DBED C=CCCC(=O)N[C@@H]1CN(C[C@@H](O)COCCOC)C[C@@H]1O 1219344443 KSDRBNACGNUVJL-MCIONIFRSA-N 316.398 -0.862 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)c2cc[nH]c2C)C1 1219434435 CLATXQGZBUSEKG-YUTCNCBUSA-N 320.393 -0.211 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(CC(=O)NCCCC)C[C@@H]1O 1219532433 ZDVCMNVMUSYLGR-KGLIPLIRSA-N 309.410 -0.133 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2cc(C)on2)C[C@@H]1O 1219602966 MSOZHHBICKECGA-BNOWGMLFSA-N 307.350 -0.317 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2CN(CCC[C@H](C)O)C[C@@H]2O)c1 1220315034 QIUXFVLMQREEJS-MAZHCROVSA-N 317.389 -0.001 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3n[nH]cc3C)[C@@H]2C1 1221528379 ORAAOZXTEBGUFA-CHWSQXEVSA-N 315.377 -0.386 30 20 DBED Cc1nocc1C(=O)N1C[C@H]2CCN(CC(=O)NCC#N)C[C@H]21 1221784687 LPJGEACXTZBXHB-DGCLKSJQSA-N 317.349 -0.231 30 20 DBED C=CCO[C@H](C)C(=O)N1C[C@H]2CCN(CC(=O)NCC#N)C[C@H]21 1222069093 HOMQOLYLKDTGET-MGPQQGTHSA-N 320.393 -0.250 30 20 DBED C=CCN1CCC(CNC(=O)[C@@H](CCC(N)=O)NC(C)=O)CC1 1224855747 SORDERYIHAVGSF-CQSZACIVSA-N 324.425 -0.229 30 20 DBED CCN1CCO[C@H](C(=O)NC2CCN(CC#CCOC)CC2)C1 1230306919 IQFTUZSUSVISEU-INIZCTEOSA-N 323.437 -0.063 30 20 DBED CCCCOCC(=O)N(C)C[C@H]1CCN1CC(=O)NCC#N 1231367924 HDYIOUQFXNYGHJ-CYBMUJFWSA-N 310.398 -0.024 30 20 DBED C#CCC[C@H](O)CNC(=O)C(=O)Nc1ccn(CCOC)n1 1321207193 VVTFGXXQHPXKLF-NSHDSACASA-N 308.338 -0.642 30 20 DBED COC[C@H](O)CNC(=O)C(=O)Nc1ccc(OCC#N)cc1 1321475402 ZKXNPURKBKBQRY-LLVKDONJSA-N 307.306 -0.349 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)NCc1ccc(C(=O)NC)cc1 1321785043 UNBSZWZHQKMLCL-CYBMUJFWSA-N 319.361 -0.020 30 20 DBED C=CCN(C(=O)C(=O)NCC1(S(C)(=O)=O)CC1)C1CC1 1323717643 OPYWSWROHGOUQQ-UHFFFAOYSA-N 300.380 -0.143 30 20 DBED C[C@@H](NC(=O)C(=O)N1CCC(C#N)CC1)c1nnnn1C1CC1 1329343743 BSLSQWTWZYILMC-SECBINFHSA-N 317.353 -0.053 30 20 DBED C=CCN(C(=O)C(=O)NCCNC(=O)c1cc[nH]n1)C(C)C 1329800397 GSAFZKRDGSKUFH-UHFFFAOYSA-N 307.354 -0.321 30 20 DBED C=CCOC[C@@H](NC(=O)C(C)(C)N1CCOCC1)C(=O)O 1333333805 DZAUILMKHKUSQH-LLVKDONJSA-N 300.355 -0.131 30 20 DBED C=CCOCc1nnc(N2CCN(CC(=O)N(C)C)CC2)n1C 1338252314 NLPBBENJNRKSHO-UHFFFAOYSA-N 322.413 -0.272 30 20 DBED C[C@@]1(C(N)=O)CCN(C(=O)C(=O)NCc2ccc(C#N)cc2)C1 1341411128 VWUHMLFSQKLDRL-MRXNPFEDSA-N 314.345 -0.102 30 20 DBED C=CCn1c([C@@H](C)CO)nnc1N(C)CC(=O)N1CCOCC1 1342297088 APURKIJQXHSVCV-LBPRGKRZSA-N 323.397 -0.145 30 20 DBED C#C[C@@H](C)N(C)C(=O)C(=O)Nc1cnn(CC(=O)N(C)C)c1 1343905766 YXEKJYHVIWZNLX-SNVBAGLBSA-N 305.338 -0.610 30 20 DBED CS(=O)(=O)CCCNC(=O)C(=O)NCc1cccc(C#N)c1 1345005059 GEUIFXJSODAPPG-UHFFFAOYSA-N 323.374 -0.275 30 20 DBED CC(C)(C)N1C[C@@H](NC(=O)C(=O)N2CCO[C@@H](C#N)C2)CC1=O 1346995996 KOUZICFAKMQFEE-QWRGUYRKSA-N 322.365 -0.747 30 20 DBED C=CCCN(C)C(=O)C(=O)NC[C@@H]1CC[C@H](C(=O)N(C)C)O1 1347193747 IVJCGYPXRLFPIL-NWDGAFQWSA-N 311.382 -0.227 30 20 DBED C=CCOCCNC(=O)C(=O)N[C@@H]1C[C@H]2CCCCN2C1=O 1350858545 DSEHFHNRVJROPG-VXGBXAGGSA-N 309.366 -0.425 30 20 DBED C#CCN(C(=O)C(=O)N1CCC([C@H](O)C(=O)OC)CC1)C(C)C 1353073503 HFFAOPUAYQNWPT-ZDUSSCGKSA-N 324.377 -0.371 30 20 DBED C[C@@H](C(=O)N[C@H]1CCc2c(nnn2C)C1)n1cnc(C#N)n1 1361883692 IRNYEOJXJOTFJN-IUCAKERBSA-N 300.326 -0.487 30 20 DBED Cc1nc(CC(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)n[nH]1 1364418428 ISZGIUCDOWTGHE-UHFFFAOYSA-N 316.325 -0.274 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N[C@H]1CCc2nnnn2CC1 1365715173 KFSFYUIEJCQNQR-ZJUUUORDSA-N 313.387 -0.696 30 20 DBED C=C(Cl)CNC[C@H](O)CNC(=O)[C@H]1COCCN1CC 1367595828 AOTYJSGQUNGCMB-NWDGAFQWSA-N 305.806 -0.474 30 20 DBED CN(C[C@H](O)CNCc1cnnn1C)C(=O)c1cc(C#N)c[nH]1 1369460327 NBPZKTIEYCFFBM-GFCCVEGCSA-N 317.353 -0.762 30 20 DBED Cc1ccnc2nc(C(=O)N[C@@H](C)CNC(=O)[C@H](C)C#N)nn12 1378036761 BJFXIDOGKJMFCI-BDAKNGLRSA-N 315.337 -0.173 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CCN(C(=O)c2coc(C(N)=O)c2)C1 1385187429 YJEHVHCGWNTIJY-WCBMZHEXSA-N 304.306 -0.131 30 20 DBED CCCS(=O)(=O)CC(=O)N(CC)CCNC(=O)[C@@H](C)C#N 1398136626 NVHSTVYCDKAJOL-NSHDSACASA-N 317.411 -0.064 30 20 DBED C[C@H](C#N)C(=O)N(CCNC(=O)[C@@H](C)S(C)(=O)=O)C1CC1 1398338965 VZLVGNPPJVRBOE-NXEZZACHSA-N 315.395 -0.314 30 20 DBED COC[C@H](O)CNC[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCO1 1407839111 LSHNTTCYIGUTAK-OLZOCXBDSA-N 322.365 -0.676 30 20 DBED CCc1n[nH]cc1C(=O)N(C)C[C@H](O)CNC(=O)[C@H](C)C#N 1413287947 FJUPGNAMVOIODO-NXEZZACHSA-N 307.354 -0.319 30 20 DBED Cc1nc(O)nc(O)c1CC(=O)N(C)CCNC(=O)[C@H](C)C#N 1415600465 WTHVPYJZOOSJDU-MRVPVSSYSA-N 321.337 -0.527 30 20 DBED N#Cc1cc(C(=O)N2CC[C@@](O)(CNC(=O)C3CC3)C2)c[nH]1 1417422729 KBNXQWHNRIJPEL-OAHLLOKOSA-N 302.334 -0.010 30 20 DBED Cc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC(=O)N(C)C 1417477823 YNULIHGOMPVTHI-CYBMUJFWSA-N 317.397 -0.149 30 20 DBED C[C@H](C#N)C(=O)N1CCC(N(CCO)CC(=O)N2CCC2)CC1 1418836365 ABDZDQLOJKSODS-CYBMUJFWSA-N 322.409 -0.336 30 20 DBED C=C(Cl)CN1CCN(CCNC(=O)[C@@H](C)CC(N)=O)CC1 1419132988 FLMOGUUVHRYVGV-NSHDSACASA-N 316.833 -0.016 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@@H](CNC(=O)C2(NC(N)=O)CC2)C1 1429072637 ODPSCWSPJIBLBX-LPEHRKFASA-N 307.354 -0.642 30 20 DBED C[C@@H](C#N)CNC(=O)N1CCC(n2cc(C(N)=O)nn2)CC1 1434793142 WEAYLSHUUYONEB-VIFPVBQESA-N 305.342 -0.117 30 20 DBED CCO[C@H]1C[C@@H](NC(=O)NCCn2cc(C#N)c(O)nc2=O)C1 1434808747 AGXRCBWWQPWJSR-PHIMTYICSA-N 321.337 -0.313 30 20 DBED C[C@H](C#N)C(=O)N1CC([C@@H](C)NC(=O)CCS(C)(=O)=O)C1 1450342220 BNSPZJZVENIKPK-NXEZZACHSA-N 315.395 -0.456 30 20 DBED CS(=O)(=O)c1ncnn1CC(=O)N(CCC#N)CCC#N 1473077913 BQVCAGWJMQAVJM-UHFFFAOYSA-N 310.339 -0.662 30 20 DBED C[C@H](C#N)C(=O)NCC1CN(CCCS(=O)(=O)N(C)C)C1 1481617455 HZIJYLKTYSRONT-LLVKDONJSA-N 316.427 -0.524 30 20 DBED COC[C@H](O)CN1CC2(CC[C@@H](CNC(=O)C#CC3CC3)O2)C1 1570231949 IRNWHURXFJEPIJ-CABCVRRESA-N 322.405 -0.243 30 20 DBED C=CCOC[C@@H](NC(=O)[C@@H]1CCc2nnc(O)n2C1)C(=O)O 1573368415 DJKMOPULGKUSNV-RKDXNWHRSA-N 310.310 -0.682 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)CNC(=O)O)[C@@H](O)C1 1573369233 PYLNSZZNCAGGAE-MNOVXSKESA-N 301.343 -0.992 30 20 DBED C=CCN1C(=O)c2ccc(C(=O)NCC3(O)CNC3)cc2C1=O 1574936316 SXHCBDSUPOAULO-UHFFFAOYSA-N 315.329 -0.467 30 20 DBED CN(c1[nH]c(=O)n(C)c(=O)c1-c1nn[nH]n1)[C@@H]1CCC[C@@H]1C#N 1579266055 BTCTYFOZEJQYLG-HTQZYQBOSA-N 316.325 -0.618 30 20 DBED N#Cc1ncc(NCCC2CS(=O)(=O)C2)nc1-c1nn[nH]n1 1581884071 JBYXGOIQRDZPMB-UHFFFAOYSA-N 320.338 -0.625 30 20 DBED C#CC1(O)CN(CCOc2ccc(-c3nn[nH]n3)cc2OC)C1 1588333308 LDTGJZQJPAERPH-UHFFFAOYSA-N 315.333 -0.066 30 20 DBED C#CCOCCCOC(=O)[C@@H](C)n1cnc(-c2nn[nH]n2)n1 1588362415 FNIMJCZSQVFVRG-SECBINFHSA-N 305.298 -0.398 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H](O)CNc1ncc(C(=O)O)cn1 1588489771 CKGHGBQVVXOWSL-KOLCDFICSA-N 322.321 -0.898 30 20 DBED C=C(CN(C)C)C(=O)NC1(C(=O)O)CCS(=O)(=O)CC1 1588636892 YLTYFGWWWUSCHW-UHFFFAOYSA-N 304.368 -0.748 30 20 DBED CCCNC(=O)CCNc1cnc(-c2nn[nH]n2)c(C#N)n1 1590636925 HCAQQGODFKUFLM-UHFFFAOYSA-N 301.314 -0.143 30 20 DBED N#CCC1(O)CN(C(=O)COc2cccc(-c3nn[nH]n3)c2)C1 1592673450 FJJFVTIMRRQHRT-UHFFFAOYSA-N 314.305 -0.268 30 20 DBED C#CCN(CC(=O)O)c1nnc(C[C@@H](C)O)n1C[C@H]1CCOC1 1602701065 UOOPIJXPHAEJOI-VXGBXAGGSA-N 322.365 -0.238 30 20 DBED C=CC[C@H](CO)NC(=O)N[C@H]1CCCCN(CC(=O)O)C1=O 1602718463 NHUXFBTVAJHYON-MNOVXSKESA-N 313.354 -0.312 30 20 DBED COCC[C@@](C)(C#N)NC(=O)[C@@H](C)n1cnc(-c2nn[nH]n2)n1 1605075146 WTXYXARQJSBILU-PELKAZGASA-N 319.329 -0.546 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CCC([C@H](O)C(=O)O)CC1 1605438845 RGJJSIHMUFUAHG-NSHDSACASA-N 319.383 -0.376 30 20 DBED CN(C)CCCS(=O)(=O)N1CCC(C#N)(C(=O)O)CC1 1606028148 AJPCCLXYYYTZCX-UHFFFAOYSA-N 303.384 -0.042 30 20 DBED N#Cc1ncc(N2CCO[C@H](C(F)F)C2)nc1-c1nn[nH]n1 1606397495 QTPMSFKTMJGRBK-ZETCQYMHSA-N 308.252 -0.001 30 20 DBED N#Cc1cncc(NCCN(CCO)C(=O)[C@@H]2C[C@@H]2C(=O)O)n1 1608222664 KDVSNUPHWIKUKA-MNOVXSKESA-N 319.321 -0.698 30 20 DBED CCN(CCO[C@H](C)C#N)CC(=O)N[C@H]1CCS(=O)(=O)C1 1645762972 CLLLDZKIFKXDTK-NEPJUHHUSA-N 317.411 -0.460 30 20 DBED N#Cc1cccc(S(=O)(=O)NCC(=O)NC[C@H]2CCOC2)c1 1645787792 FEJHVXFSAHIQBH-GFCCVEGCSA-N 323.374 -0.011 30 20 DBED C=CCN1CC[C@@H](N[C@@H](C)CNC(=O)Cc2ccn(C)n2)C1=O 1752872128 APZSBQFCJTYCCR-GXTWGEPZSA-N 319.409 -0.156 30 20 DBED C#CCNC(=O)CN[C@@H](C)CNC(=O)c1cccc(C(N)=O)c1 1752881575 DEYJZGXALQUJLR-NSHDSACASA-N 316.361 -0.757 30 20 DBED C=CCN1CC[C@H](N(C)CCNC(=O)c2ccnn2C)C1=O 1753045371 PUGSKHQOPUIMTE-ZDUSSCGKSA-N 305.382 -0.131 30 20 DBED Cc1c[nH]nc1C(=O)NC[C@@H]1CCN(CC(=O)NCC#N)C1 1753124315 IZETYCAPLGOJBU-NSHDSACASA-N 304.354 -0.590 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC(NC(=O)C2(C(=O)NC)CC2)C1 1753388129 KIKRTWITRYBNJH-SNVBAGLBSA-N 308.382 -0.996 30 20 DBED C#CCNC(=O)CN1CC(CNC(=O)c2cc(Cl)no2)C1 1753414468 LRTUKQBEWQATNZ-UHFFFAOYSA-N 310.741 -0.261 30 20 DBED C#Cc1cncc(C(=O)N(C)CCN(C)[C@H]2CCNC2=O)c1 1753863369 VFQWPPALILKYBE-AWEZNQCLSA-N 300.362 -0.045 30 20 DBED C=CCCNC[C@@H](O)CNC(=O)Cc1nnn(C(C)(C)C)n1 1753922047 ZONXLWOYDUCNRW-LLVKDONJSA-N 310.402 -0.387 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CNC(=O)c1ncc(F)cc1F 1754488266 ZJXZQPRLOODQBJ-NSHDSACASA-N 322.315 -0.087 30 20 DBED CC#CCN1CC[C@@H](N2CCN(C(=O)[C@H](C)NC(C)=O)CC2)C1 1754661514 GNZMFDQRPPRICB-GOEBONIOSA-N 320.437 -0.247 30 20 DBED C#Cc1ccc(C(=O)NCC2(O)CN([C@H](CC)C(N)=O)C2)nc1 1754778197 RBVXPWVWFZLCTM-CYBMUJFWSA-N 316.361 -0.897 30 20 DBED C#CCN1CCC[C@@](CO)(NC(=O)[C@H]2CC(=O)N(CCC)C2)C1 1754859282 TTWXZVRYQASSAA-WMLDXEAASA-N 321.421 -0.179 30 20 DBED CC(C)C#CC(=O)N1CCO[C@H](CNCCNC(=O)C2CC2)C1 1755002717 XDRGDVGGRPOJJQ-OAHLLOKOSA-N 321.421 -0.011 30 20 DBED CC#CCN[C@@]1(CO)CCCN(C(=O)[C@@H]2CCNC(=O)CC2)C1 1755087468 VBFQDONLCBXJFS-YOEHRIQHSA-N 321.421 -0.131 30 20 DBED C=CCNC(=O)[C@@H](C)NCC1CC(NC(=O)Cc2nc[nH]n2)C1 1755220151 NJLSURMNNIMXTA-VOMCLLRMSA-N 320.397 -0.478 30 20 DBED Cc1noc(C)c1CC(=O)N[C@@H](C)[C@H](C)NCC(=O)NCC#N 1755266159 DQJCLWZKDCBMKG-UWVGGRQHSA-N 321.381 -0.043 30 20 DBED C#CCNC(=O)CN[C@H](C)[C@H](C)NC(=O)CNC(=O)C(C)(C)C 1755269192 PPJQVHWDGKXJTR-NEPJUHHUSA-N 324.425 -0.619 30 20 DBED COCC#CCN(C)CCOCCNC(=O)c1n[nH]cc1F 1755543624 XDITYMXDYKDZOV-UHFFFAOYSA-N 312.345 -0.123 30 20 DBED Cn1ncc(CNCCCOCCNC(=O)C#CC2CC2)n1 1755553132 LSBMEDSKDQUUOX-UHFFFAOYSA-N 305.382 -0.159 30 20 DBED C#CCN[C@@H](CO)CNC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 1755629284 KHVDSUJHMBQMSV-ZIAGYGMSSA-N 307.394 -0.665 30 20 DBED C=C(C)CN[C@@H](CO)CNC(=O)c1nc2nc(C)cc(C)n2n1 1755646563 SMKXVXFLKYYHGU-GFCCVEGCSA-N 318.381 -0.002 30 20 DBED C=CCOCC(=O)N1CC2(CCN(C(=O)[C@@H]3COC(=O)N3)C2)C1 1756830272 MKSIYIOMOPTZOR-NSHDSACASA-N 323.349 -0.642 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(C(=O)c2nonc2C)C[C@H]1C 1757071425 VUPVYQLHIWXXCS-YUSALJHKSA-N 320.349 -0.007 30 20 DBED CN(C)C(=O)Cn1cc(C(=O)N2CCN(CCC#N)CC2)nn1 1771848086 POVAQSLNZHSVLW-UHFFFAOYSA-N 319.369 -0.962 30 20 DBED C#CCNC(=O)CNS(=O)(=O)c1ccc(CCC(=O)O)cc1 1776135018 BMGZTKPCHRFISY-UHFFFAOYSA-N 324.358 -0.269 30 20 DBED COCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1CC1)C2 1795204575 PRGCOIBIVCPBAX-YWVIFJGQSA-N 306.362 -0.364 30 20 DBED N#CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CC(=O)C1 1802005954 LMBLYNOTBQCOHW-GNXNZQSNSA-N 305.334 -0.531 30 20 DBED C#CCCC(=O)N1CC2(CCCN2C(=O)C[C@@H](NC)C(=O)O)C1 1842953554 ANRGKPGDAORVOK-GFCCVEGCSA-N 321.377 -0.334 30 20 DBED Cn1cc(C(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)cn1 1846194892 BPUCPWUGZUCTEG-UHFFFAOYSA-N 316.317 -0.675 30 20 DBED C[C@@]1(C2CC2)NC(=O)N(CC(=O)N2CCN(CC#N)CC2)C1=O 266727447 UCRBQZFOZOGVKN-HNNXBMFYSA-N 319.365 -0.625 30 20 DBED N#Cc1cc([N+](=O)[O-])ccc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 267521428 YQZDORGIRSIIMJ-LLVKDONJSA-N 315.289 -0.387 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)NCCn1cc([N+](=O)[O-])cn1 281737991 HGNLMGKHSFOCCH-VIFPVBQESA-N 316.343 -0.283 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1CC[C@H](CS(C)(=O)=O)C1 292208951 MHRXVNVETFWFJO-QWRGUYRKSA-N 317.411 -0.247 30 20 DBED CS(=O)(=O)N1CCN(/C(O)=N/CCc2cnccn2)CC1 329146577 AOZCEKJKEWLHND-UHFFFAOYSA-N 313.383 -0.490 30 20 DBED O=S1(=O)CCCC[C@@H]1CN/C(O)=N/CCN1CCOCC1 329262360 BJPVLPREKOZXHN-GFCCVEGCSA-N 319.427 -0.211 30 20 DBED C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)[C@H]1CCOC1 329564033 NRCIWGQGFDVTBW-MNOVXSKESA-N 309.409 -0.220 30 20 DBED CN(CC/N=C(/O)N(C)[C@@H]1CCN(S(C)(=O)=O)C1)C1CC1 330180063 FSRKVLMLXFAQIK-GFCCVEGCSA-N 318.443 -0.040 30 20 DBED CCN(C)C(=O)[C@@H](C)/N=C(/O)N1CCN(C(=O)COC)CC1 331019510 NOIWPYLIOGPGTE-LLVKDONJSA-N 314.386 -0.442 30 20 DBED C=CCNC(=O)CNC(=O)N1CCS(=O)(=O)CC[C@H]1C 332005776 PCHQPQPFLCUIPZ-SNVBAGLBSA-N 303.384 -0.493 30 20 DBED C[C@@H](CNS(=O)(=O)N1CCO[C@H](C#N)C1)Cn1cccn1 336907173 FNGUXJOGSYANRK-NWDGAFQWSA-N 313.383 -0.422 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CCSC[C@@H]1C(N)=O 336951303 UOEFKQVVVUDVAO-SECBINFHSA-N 306.413 -0.631 30 20 DBED COCCNS(=O)(=O)c1c[nH]c(C(=O)N[C@@H](C)C#N)c1 340437614 XLYWAAKUUNJESG-QMMMGPOBSA-N 300.340 -0.419 30 20 DBED COC(=O)CCN1CCN(C(=O)Cn2cnc(C#N)n2)[C@H](C)C1 343067487 APFMCGKPPOMBEG-LLVKDONJSA-N 320.353 -0.754 30 20 DBED CN(CCS(=O)(=O)c1ccc(C#N)cn1)[C@H]1COC[C@@H]1O 343935396 IXIWUFYDWORSEP-RYUDHWBXSA-N 311.363 -0.582 30 20 DBED CN(CC#N)C(=O)CCC(=O)Nc1ccc2nc(O)[nH]c2n1 345440794 HHVXPBZQTFQRJS-UHFFFAOYSA-N 302.294 0.364 30 20 DBED N#CCCN(CCN1CCOCC1)C(=O)C1(NC(N)=O)CC1 348213834 CZLIVOCXXCGKKX-UHFFFAOYSA-N 309.370 -0.738 30 20 DBED C=CCOC[C@@H]1NC(=O)N(CC2(CS(C)(=O)=O)CC2)C1=O 348615836 NGSBSZPZXWIPCP-JTQLQIEISA-N 316.379 -0.066 30 20 DBED CC[C@H]1CN(C)CCCN1S(=O)(=O)N1CCO[C@@H](C#N)C1 349632066 XVIURXBVSGYGSF-STQMWFEESA-N 316.427 -0.128 30 20 DBED C=CCCCCNC(=O)C(=O)NCCNC(=O)c1cnccn1 358371918 VSDREHUZJCAGKV-UHFFFAOYSA-N 319.365 -0.205 30 20 DBED C=CCCn1cc(C(=O)NCCS(=O)(=O)N(C)C)nn1 424828346 IUTAQJRGOSFQJT-UHFFFAOYSA-N 301.372 -0.525 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)CCc2nc(C)no2)CC1 491071801 NITPTTZIHHJSGY-UHFFFAOYSA-N 319.365 -0.796 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(C)c2ccc(C)nn2)C1=O 525171513 DJKFMFKTZFSEEA-UHFFFAOYSA-N 317.305 -0.275 30 20 DBED N#Cc1cc(N2CCN(S(=O)(=O)c3cc[nH]n3)CC2)ncn1 562437506 VJHGPLWZCQVOCA-UHFFFAOYSA-N 319.350 -0.418 30 20 DBED COc1cncc(NC(=O)C(=O)N2CCC(C)(C#N)CC2)n1 568519212 DIFGFUMEZZWQEV-UHFFFAOYSA-N 303.322 0.576 30 20 DBED CN(C)CCN(C)C(=O)CNS(=O)(=O)c1cccc(C#N)c1 579179998 BSGAQSZNNWYEMX-UHFFFAOYSA-N 324.406 -0.143 30 20 DBED N#Cc1cccc(CNC(=O)CN2CC[C@H](CO)[C@H](O)C2)c1 582204993 SJSCSNYMZUSLLX-HUUCEWRRSA-N 303.362 -0.150 30 20 DBED Cc1cc(C#N)cc(NC(=O)C(=O)N2C[C@@H](CO)[C@H](CO)C2)c1 600007021 KVLDUCNQZXFIGS-STQMWFEESA-N 317.345 -0.136 30 20 DBED CCN1CCN(CC(=O)N2CCC[C@@](C)(C#N)C2)C(=O)C1=O 612369359 RRVWAQQIBQKKFB-HNNXBMFYSA-N 306.366 -0.171 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)C1(C(=O)NC2CC2)CC1 729713661 VRSYLIMQMGFICF-SECBINFHSA-N 323.349 -0.011 30 20 DBED COCCN1C[C@@H](C(=O)OCCn2ncc(C#N)c2N)CC1=O 731772003 IOHHCXUMRIVZBH-JTQLQIEISA-N 321.337 -0.625 30 20 DBED N#CCN(CC(=O)O)C(=O)Cn1nnc(-c2ccccc2)n1 739078889 ORNREDVGPNIFCW-UHFFFAOYSA-N 300.278 -0.223 30 20 DBED CN1CC(=O)N(CC(=O)OCC(=O)N[C@@](C)(C#N)C2CC2)C1=O 749365404 OOBPMCZHQVBDDX-AWEZNQCLSA-N 322.321 -0.768 30 20 DBED N#CCc1ccccc1CC(=O)N1CCN(S(N)(=O)=O)CC1 777380279 WISKXQGWJFWPHY-UHFFFAOYSA-N 322.390 -0.357 30 20 DBED CC1(C)[C@H](O)C[C@H]1NC(=O)NCCN/C(O)=C1/N=CC=CC1=O 779570007 KOVXLLRRSUMLEM-RPYXHXOLSA-N 322.365 -0.029 30 20 DBED C=CCS(=O)(=O)CCNC(=O)[C@H](C)CN1CCOCC1 783618081 LEXCMAVFJQYYPV-GFCCVEGCSA-N 304.412 -0.328 30 20 DBED CC(=O)N1CC(C(=O)OCc2cc(O)n3ncc(C#N)c3n2)C1 784893071 JUEKIINHQBIFAL-UHFFFAOYSA-N 315.289 -0.172 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@@H](C)Cn1ccnc1)[C@H]1CCCO1 789753256 LHJIURPIECCUES-RWMBFGLXSA-N 304.350 -0.315 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCS(=O)(=O)N1CCOCC1 810272269 BHENGUPWOAWUNR-GFCCVEGCSA-N 306.384 -0.908 30 20 DBED Cn1c(=O)n(CC(=O)N[C@@H]2CCCN(O)C2=O)c2ccccc21 816753693 NOAJAYVGFMBDEB-SNVBAGLBSA-N 318.333 -0.164 30 20 DBED O=C(Cn1c(=O)cnc2ccccc21)N[C@@H]1CCCN(O)C1=O 816755878 LAGYTFPTUOPDQO-LLVKDONJSA-N 316.317 -0.107 30 20 DBED N#C[C@]1(F)CCN(C(=O)C(F)(F)C(=O)N2CCOCC2)C1 836206463 GGGKETNXWSVBNY-LLVKDONJSA-N 305.256 -0.055 30 20 DBED CS(=O)(=O)C1(C(=O)N[C@H]2CCCN(O)C2=O)CCCC1 848138003 HXBPONNTQKVVMX-VIFPVBQESA-N 304.368 -0.160 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)CN1C(=O)N[C@](C)(CC)C1=O 854015548 UJSKPDSCNODDIW-LKFCYVNXSA-N 309.322 -0.612 30 20 DBED N#CC1(CS(=O)(=O)NC(=O)c2cnc(C(=O)O)cn2)CC1 863957937 JPVVLCMVGQYIGS-UHFFFAOYSA-N 310.291 -0.462 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N1CCN(CCC#N)CC1 867640829 OXSCVAPVBCQUTI-UHFFFAOYSA-N 320.393 -0.457 30 20 DBED COc1ccc(CNC(=O)C(=O)N2C[C@@H]3C[C@H]2CN3)cc1C#N 884592190 IAOVRMOUJMRJTN-STQMWFEESA-N 314.345 -0.244 30 20 DBED N#CCOC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 914667819 HXWIBAKBRCIJTH-UHFFFAOYSA-N 323.330 -0.513 30 20 DBED COCCS(=O)(=O)CC(=O)O[C@H](C)C(=O)N(C)CCC#N 915554526 FZILBJFBWLCKQS-SNVBAGLBSA-N 320.367 -0.649 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2CCN2C)C1=O 931886246 SVJZCYWBVUVZCU-NEPJUHHUSA-N 308.382 -0.948 30 20 DBED CN1CCO[C@@H](C(=O)N(C)[C@H]2CCN(C(=O)C#CC3CC3)C2)C1 937346620 AFJQXUKFTGTHOY-LSDHHAIUSA-N 319.405 -0.210 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](NC(=O)c2cc(=O)n(C)cn2)C1 941245557 GWWXNWCPTPLAHS-VHSXEESVSA-N 303.322 -0.729 30 20 DBED CO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1NC(=O)c1ncccc1O 941601328 SLQKWJDLNBHILQ-HOSYDEDBSA-N 318.333 -0.098 30 20 DBED Cn1nnc(C(=O)NC2CCN(C(=O)C#CC3CC3)CC2)n1 946686280 BSOOGCVBGCNPTQ-UHFFFAOYSA-N 302.338 -0.656 30 20 DBED CN1CCN(CC(=O)N(C)[C@H]2CCCN(CC#N)CC2)CC1=O 948560877 GVLRCGNFNPKLHN-AWEZNQCLSA-N 321.425 -0.403 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)Cn1cncn1 952176351 FAIFOUFZTITQPD-XQQFMLRXSA-N 319.365 -0.414 30 20 DBED C[C@@H](C#N)C(=O)N1[C@H]2CCC[C@H]1CN(C(=O)[C@H]1CCNC1=O)C2 952759129 BSWSMEGMNVVYCG-CYDGBPFRSA-N 318.377 -0.126 30 20 DBED CN(C(=O)c1cc(C#N)c[nH]1)C1CN(C(=O)Cc2nc[nH]n2)C1 953998032 QJKUOLGWSAPMRU-UHFFFAOYSA-N 313.321 -0.470 30 20 DBED CN(C(=O)[C@@H]1COC(=O)N1)C1CN(C(=O)c2cc(C#N)c[nH]2)C1 954189412 ORPSMMYONQNUEZ-NSHDSACASA-N 317.305 -0.722 30 20 DBED CN(C(=O)c1cccn2nnnc12)C1CN(C(=O)C#CC2CC2)C1 954363723 LLBYUXZDXBHBKS-UHFFFAOYSA-N 324.344 -0.180 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CN(C(=O)c2cnn[nH]2)C1 955367594 SJHREOJWPPSTOI-PWSUYJOCSA-N 305.338 -0.321 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(C)(NC(=O)[C@H]2COCCN2C)CC1 956343769 YMQKTAXUUMOTSO-QWHCGFSZSA-N 322.409 -0.026 30 20 DBED Cn1nnc(C(=O)N[C@@]2(C)CCN(C(=O)C#CC3CC3)C2)n1 957324215 YFQNNHDHPRHGLJ-AWEZNQCLSA-N 302.338 -0.656 30 20 DBED CC#CCN1C[C@H](CNC(=O)c2cnc(N(C)C)cn2)[C@@H](O)C1 958068208 GBIGRKLYRKKHMS-JSGCOSHPSA-N 317.393 -0.412 30 20 DBED C=CCn1cccc1C(=O)NC[C@H]1CN(CC(N)=O)C[C@H]1O 958138860 JDKIUUQWTCPDAY-WCQYABFASA-N 306.366 -0.818 30 20 DBED C#CCN1C[C@H](CNC(=O)c2ccn(CC(F)F)n2)[C@@H](O)C1 958163925 HBMFUAQPHPYREI-JQWIXIFHSA-N 312.320 -0.196 30 20 DBED C#CCCN1C[C@@H](O)[C@@H](CNC(=O)c2cc(OCC)n[nH]2)C1 958176672 XIBXDHSLVNNMBB-WCQYABFASA-N 306.366 -0.146 30 20 DBED CC#CCN1C[C@H](CNC(=O)c2ccc(=O)n(CC)n2)[C@@H](O)C1 958493367 GHAJAOALGRVHPN-JSGCOSHPSA-N 318.377 -0.691 30 20 DBED C=CCN1C[C@H](CNC(=O)c2ccnc3nc(C)nn23)[C@@H](O)C1 958586496 AIHQOSBSXJAWHM-AAEUAGOBSA-N 316.365 -0.359 30 20 DBED C=CCCn1cc(C(=O)N2C[C@H]3[C@@H](C2)OCCN3C(C)=O)nn1 959855085 WVUWMMAFVJQBOQ-UONOGXRCSA-N 319.365 -0.074 30 20 DBED N#CCN1C[C@H]2C(NC(=O)c3cnc4ccccn4c3=O)[C@@H]2C1 960608352 FDSBULKORUCBBQ-VXGBXAGGSA-N 309.329 -0.122 30 20 DBED CN(C)CCn1cc(C(=O)NC2[C@H]3CN(CC#N)C[C@H]23)cn1 962016824 LULBIBDZJXJVJR-STQMWFEESA-N 302.382 -0.372 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CN(C(=O)[C@@H]3CCC(=O)N3C)C[C@H]2C1 962127047 MMDNCOOTNQUVGW-RVMXOQNASA-N 318.377 -0.316 30 20 DBED Cc1cnc(C(=O)NC[C@@H]2COCCN2C(=O)[C@@H](C)C#N)cn1 964085156 WNJFQUOIVWRKPU-CMPLNLGQSA-N 317.349 -0.098 30 20 DBED C[C@H](C#N)C(=O)N1CCOC2(CN(C(=O)c3cncnc3)C2)C1 965474843 RQDTXMFWOKANKD-LLVKDONJSA-N 315.333 -0.310 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(C[C@@H](NC(=O)c3ncc[nH]3)CO2)C1 965692236 WCJAMKQHVBWLPO-VHSXEESVSA-N 303.322 -0.331 30 20 DBED C#CCN1CCC(C(=O)N[C@@H]2CN(C(=O)C3CC3)C[C@@H]2O)CC1 966004595 NGDGLVHYXCXIBF-CABCVRRESA-N 319.405 -0.571 30 20 DBED CCN(C(=O)[C@H]1CCC(=O)N1C)C1CN(C(=O)[C@@H](C)C#N)C1 968260223 MMEAXEHGDPROLN-CMPLNLGQSA-N 306.366 -0.174 30 20 DBED Cn1nncc1C(=O)N[C@H]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 974044704 KIOJDPDESQRKOU-AOOOYVTPSA-N 313.321 -0.294 30 20 DBED CC#CCN1C[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C(C)(C)C1 977602621 LZUVECMOWIPJGV-NWDGAFQWSA-N 313.423 -0.472 30 20 DBED N#CCN1CCCC2(C1)CN(C(=O)CCN1C(=O)CCC1=O)C2 981878704 USZLZLUMSSUZON-UHFFFAOYSA-N 318.377 -0.027 30 20 DBED CC(=O)N1CC(C(=O)NC[C@H]2CCN(C(=O)[C@H](C)C#N)C2)C1 983217816 VRDDVUJEIKNBPH-ZYHUDNBSSA-N 306.366 -0.411 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)Cn2cnnc2O)[C@H]1C 987654108 OCDCNJIVUMMSQM-AEJSXWLSSA-N 306.326 -0.751 30 20 DBED C[C@H]1C[C@@H](NCc2nnn(C)n2)CN1C(=O)c1c[nH]c(C#N)c1 988612475 LPHPIGVKQHTGCB-JOYOIKCWSA-N 314.353 -0.197 30 20 DBED C[C@H]1C[C@@H](NCC#N)CN1C(=O)c1coc(S(N)(=O)=O)c1 989058745 WUUVXUVLJHGDID-WCBMZHEXSA-N 312.351 -0.357 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H](NC(=O)[C@H]2CCC(=O)N2C)C1 989266767 BKZAUEODVBYFBY-GRYCIOLGSA-N 306.366 -0.126 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H](NC(=O)C3CC3)[C@H](O)C2)nn1 991162369 LYKAFNYBRVDITG-WCQYABFASA-N 319.365 -0.434 30 20 DBED CN1CC[C@H](C(=O)NC2CN(C(=O)c3c[nH]c(C#N)c3)C2)C1 991714532 YVZRAZRKSLXREF-JTQLQIEISA-N 301.350 -0.221 30 20 DBED C[C@H](C#N)C(=O)N1CC(NC(=O)[C@H](C2CC2)N2CCOCC2)C1 992641726 JLFMOFCTHLEUTN-RISCZKNCSA-N 320.393 -0.416 30 20 DBED Cn1nnc(CN[C@H]2CN(C(=O)C#CC3CC3)CC2(C)C)n1 995791372 GMRLSHIYCODJIW-LBPRGKRZSA-N 302.382 -0.050 30 20 DBED CN1CC[C@@H](C(=O)N2CCC[C@H](NCC#N)C2)S1(=O)=O 1000427776 PVGJOMZGHVKRJD-QWRGUYRKSA-N 300.384 -0.876 30 20 DBED Cn1nncc1C(=O)N1CC(CNC(=O)c2c[nH]c(C#N)c2)C1 1001507160 OBVYQQAWJLYHQB-UHFFFAOYSA-N 313.321 -0.483 30 20 DBED C=CCN1CCC[C@@H](NC(=O)[C@H]2CCN(C)S2(=O)=O)C1 1008841141 PRTIDQBPKJGRFG-VXGBXAGGSA-N 301.412 -0.213 30 20 DBED CS(=O)(=O)CC(=O)N1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 1010558534 PPERSTORIIUMAB-UHFFFAOYSA-N 324.362 -0.785 30 20 DBED C[C@@H]1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)CN1C(=O)C(N)=O 1018068396 DZNDNDSLTUTYBB-PSASIEDQSA-N 303.322 -0.519 30 20 DBED C#CCNC1CCC(NC(=O)Cn2ccc(=O)n(C)c2=O)CC1 1026503201 NMMJAJZHVQWQLB-UHFFFAOYSA-N 318.377 -0.803 30 20 DBED CN(CC#N)[C@@H]1CCCN(C(=O)CCc2nnc(O)nc2O)C1 1027479068 XOCLZGBOAVHXGR-SNVBAGLBSA-N 320.353 -0.338 30 20 DBED C=CCCN1CCC[C@H]1CNC(=O)c1cn(C)c(=O)n(C)c1=O 1028177326 AOMABJQHFKBSKH-LBPRGKRZSA-N 320.393 -0.146 30 20 DBED N#Cc1ccc(CN2CC(NC(=O)Cn3cnnc3O)C2)cc1 1030238152 YYUDELLUMPHICV-UHFFFAOYSA-N 312.333 -0.144 30 20 DBED C=CCN1CC[C@H](N2CC(CNC(=O)[C@@H]3COCCO3)C2)C1=O 1031557074 KSZREXOKQJZXJT-KBPBESRZSA-N 323.393 -0.763 30 20 DBED C=CCN1CC[C@@H](N2CC(CNC(=O)c3cncnc3)C2)C1=O 1031629558 HCDMGZWKDYQEAP-CQSZACIVSA-N 315.377 -0.075 30 20 DBED C=C(Cl)CN1CC(CNC(=O)[C@H]2CCN(C)S2(=O)=O)C1 1032045099 MWSAPLNRPLUAAV-LLVKDONJSA-N 321.830 -0.179 30 20 DBED C#CCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@]1(C)CCS(=O)(=O)N1 1032753604 ZNDLKAFNKMVJHO-OBJOEFQTSA-N 311.407 -0.623 30 20 DBED C#CCCN1CC[C@@H]2CN(C(=O)C3CS(=O)(=O)C3)CC[C@@H]21 1036724617 JMGNOYJFDVXRKG-OCCSQVGLSA-N 310.419 -0.023 30 20 DBED Cc1ccc(=O)n(CC(=O)N2CC[C@H]3[C@H](CCN3CC#N)C2)n1 1036874540 KUHZDDBGHAFVTA-KGLIPLIRSA-N 315.377 -0.002 30 20 DBED C=C(C)CN1C[C@H]2C[C@H]1[C@@H]2NC(=O)Cn1ccc(O)nc1=O 1037494541 XNZFMVYVMCFQAW-UHIISALHSA-N 304.350 -0.286 30 20 DBED C#CCCN1CC[C@@H]1CNC(=O)c1ccc(S(N)(=O)=O)o1 1038453406 YTVUQNYGKDPRHI-SNVBAGLBSA-N 311.363 -0.246 30 20 DBED C#CCN1CC[C@H]1CNC(=O)c1cn(C[C@H]2CCOC2)nn1 1038869520 QLYJPQMCQUXOCK-OLZOCXBDSA-N 303.366 -0.248 30 20 DBED C#CCOCCC(=O)NC[C@@]1(O)CCN(C(=O)c2cc[nH]n2)C1 1039719114 OENDMMGAPHQJSC-HNNXBMFYSA-N 320.349 -0.857 30 20 DBED N#CCN1CCC[C@@]2(CCN(C(=O)CN3CCOCC3=O)C2)C1 1040243101 PWSMSDOHXJHCAW-MRXNPFEDSA-N 320.393 -0.317 30 20 DBED N#Cc1ccc(N2C[C@@H]3CCN(C(=O)CC(N)=O)[C@@H]3C2)nn1 1040549317 FVDLADSKQASMBD-GXSJLCMTSA-N 300.322 -0.739 30 20 DBED CC(C)C#CC(=O)N1CC[C@@](O)(CNC(=O)Cc2cnc[nH]2)C1 1041034755 FLLDYNCFBYBVCU-MRXNPFEDSA-N 318.377 -0.309 30 20 DBED Cc1ocnc1C(=O)N1CC(O)(CNC(=O)CSCC#N)C1 1041569273 SALHVKUWFQVLCX-UHFFFAOYSA-N 324.362 -0.457 30 20 DBED Cc1cnn(CC(=O)NCC2(O)CN(C(=O)C#CC3CC3)C2)c1 1041776317 QZRRMIKNRHDQCE-UHFFFAOYSA-N 316.361 -0.706 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)c2nccnc2N)C1 1041952204 MWZQRKKSUQLDQW-UHFFFAOYSA-N 305.338 -0.672 30 20 DBED C=CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)c2ccn(C)c2)C1 1042544752 XUEJPKHROMJAEM-GFCCVEGCSA-N 321.377 -0.081 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(O)CN(C(=O)c2cocn2)C1 1042807607 WUZFEJYYYAWUFG-ZDUSSCGKSA-N 309.322 -0.695 30 20 DBED Cc1nn(C)cc1C(=O)N1CC(O)(CNC(=O)[C@@H](C)C#N)C1 1045541355 UQGZQRKRZAKDDC-VIFPVBQESA-N 305.338 -0.809 30 20 DBED Cc1c(C(=O)N2CCN([C@@H]3CCN(CC#N)C3)CC2)nnn1C 1046017703 RIIGLRFRPVSZBX-CYBMUJFWSA-N 317.397 -0.521 30 20 DBED CC#CCN1CC[C@H](N2CCN(C(=O)[C@@H]3CCNC3=O)CC2)C1 1046049590 SGMDCGYEKVKMPF-LSDHHAIUSA-N 318.421 -0.636 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)C2(CC)CC2)C1 1046149313 DTTIAASMLSIEDC-GFCCVEGCSA-N 308.378 -0.096 30 20 DBED Cc1ccn2ncc(C(=O)N(C)[C@H]3CN(CC#N)C[C@@H]3O)c2n1 1047598879 AJWHJIVCKVFIRB-STQMWFEESA-N 314.349 -0.322 30 20 DBED C=CCOCC(=O)N(C)[C@H]1CN(C(=O)C2=COCCC2)C[C@@H]1O 1048554708 DOXHIBJLRWOVGO-KBPBESRZSA-N 324.377 -0.087 30 20 DBED CC(C)[C@@H](O)C(=O)N(C)[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 1048785059 ANNNMBWTCJRZKK-KCQAQPDRSA-N 308.378 -0.553 30 20 DBED CC(C)C#CC(=O)N(C)[C@H]1CN(C(=O)c2ccon2)C[C@@H]1O 1048811129 NTPNTVZNKCPLOE-STQMWFEESA-N 305.334 -0.022 30 20 DBED C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1cn(C)c(=O)nc1O 1049883726 BSPDZPRRGRWBTR-OLZOCXBDSA-N 316.361 -0.202 30 20 DBED C#CCCN1CCOC[C@@H]1CNC(=O)[C@@H]1CCN(C(C)=O)C1 1051227600 ONYLJSIQCJAEPE-CABCVRRESA-N 307.394 -0.305 30 20 DBED C=CCN1CCOC[C@H]1CNC(=O)c1cccnc1C(N)=O 1051254875 NYQSXHVXYFZGGW-LLVKDONJSA-N 304.350 -0.203 30 20 DBED C=CCCN1CCOC[C@@H]1CNC(=O)[C@@H]1CCCN1C(N)=O 1051269840 YSSHVQKFLRRPBA-STQMWFEESA-N 310.398 -0.077 30 20 DBED N#CCN1CCN([C@H]2CCN(C(=O)[C@@H]3COCCO3)C2)CC1 1051988497 XAIGLKQHHUIWBZ-KBPBESRZSA-N 308.382 -0.856 30 20 DBED C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1CCNc1cnc(C#N)cn1 1053500777 SYQLBQZNTAIRDP-NXEZZACHSA-N 302.338 -0.270 30 20 DBED N#CCN1CC[C@]2(CCCN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)C1 1054146967 VNCIIFPBJKNHJR-XHDPSFHLSA-N 319.365 -0.577 30 20 DBED C[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1CNc1cncc(C#N)n1 1054456138 UXHHFYJLQLJHLB-NXEZZACHSA-N 302.338 -0.270 30 20 DBED C#CCOCCC(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)CC(N)=O 1056403747 ZYVJTLKJDSEOOY-CHWSQXEVSA-N 321.377 -0.506 30 20 DBED N#Cc1nccnc1N[C@@H]1CCN(C(=O)[C@@H]2COCCO2)C1 1056556463 AEKBALYGQAYIHT-PWSUYJOCSA-N 303.322 -0.224 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)NCCN(CCO)C(C)=O 1056742477 IDYCXZTZSMFCIP-UHFFFAOYSA-N 314.386 -0.793 30 20 DBED Cn1nnc(C(=O)N2CCCN(c3nccnc3C#N)CC2)n1 1057211311 AGCIQWNSQYSWLD-UHFFFAOYSA-N 313.325 -0.776 30 20 DBED Cn1nncc1C(=O)N1CCC(N=c2cc[nH]c(C#N)n2)CC1 1057325128 KQYUUKMAGDVNEC-UHFFFAOYSA-N 312.337 -0.385 30 20 DBED C=CCCOCC(=O)N(CCO)CCNC(=O)c1nc(C)c[nH]1 1057920037 GHVYIISQIRJJGK-UHFFFAOYSA-N 324.381 -0.138 30 20 DBED N#Cc1cncc(N2CC[C@@H](NC(=O)[C@H]3COCCO3)C2)n1 1058304652 HBCKPWNHJIVVLI-ZYHUDNBSSA-N 303.322 -0.541 30 20 DBED CN1C(=O)CC[C@@H]1C(=O)N[C@@H]1CCN(c2ccc(C#N)nn2)C1 1058523115 HGRFFZYTYJBVOW-VXGBXAGGSA-N 314.349 -0.336 30 20 DBED Cc1cc(=N[C@H]2C[C@H](NC(=O)[C@@H]3COC(=O)N3)C2)c(C#N)c[nH]1 1059212048 PGQXRZLZDPFRJP-GVXVVHGQSA-N 315.333 -0.149 30 20 DBED C=CCCC(=O)N1CC[C@@H](CCNC(=O)Cn2ncnn2)C1 1059316657 XSQZZRGZSCVENK-GFCCVEGCSA-N 306.370 -0.006 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCC2(CC1)CN(C(=O)C(N)=O)C2 1061109550 QRPXPQGJVJWXAM-NSHDSACASA-N 309.366 -0.486 30 20 DBED C#CCO[C@H](C)C(=O)N1CCOC[C@@H]1CNC(=O)c1ccon1 1061350094 MUBWFOBMYNSDDD-NEPJUHHUSA-N 321.333 -0.330 30 20 DBED CCNC(=O)CCC(=O)NC[C@H]1COCCN1C(=O)[C@H](C)C#N 1061420126 VBBQDBCSRPKSSI-NEPJUHHUSA-N 324.381 -0.594 30 20 DBED Cn1nnc(C(=O)N2CCCC[C@@H]2CNC(=O)C#CC2CC2)n1 1062308623 PHXCPXAFNMERDX-GFCCVEGCSA-N 316.365 -0.266 30 20 DBED Cn1nnc(C(=O)N2CCC[C@@H]2CNc2cncc(C#N)n2)n1 1063544619 XMJQGVOSXNYXFR-SNVBAGLBSA-N 313.325 -0.412 30 20 DBED N#Cc1ccc(N2CCO[C@@H](CNC(=O)c3cnn[nH]3)C2)cn1 1063673115 KISPHLNGIUOWIJ-LBPRGKRZSA-N 313.321 -0.293 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H]1CN(C(=O)C(F)F)CCO1 1064722814 NXVDNLRKGMETCT-NXEZZACHSA-N 304.293 -0.367 30 20 DBED C=CCOCC(=O)N1CCO[C@H](CNC(=O)c2n[nH]cc2C)C1 1064970379 NRPDXXSOQOOGAR-GFCCVEGCSA-N 322.365 -0.122 30 20 DBED Cc1ccc(C(=O)N2CCO[C@@H](CNC(=O)[C@H](C)C#N)C2)nn1 1065138913 ZHJRNJNCZQAPFM-PWSUYJOCSA-N 317.349 -0.098 30 20 DBED C#CCO[C@H](C)C(=O)N1CCO[C@@H](CNC(=O)C(F)F)C1 1065155552 YHJNDUVEIYMJKC-ZJUUUORDSA-N 304.293 -0.367 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)CN2CCCC2=O)C1 1065557699 ULYRQBGDZQHLJX-NEPJUHHUSA-N 322.365 -0.888 30 20 DBED C#CCNC(=O)CC(=O)N(C)CCCN(C)C(=O)[C@@H]1CCCO1 1066748390 SAFIOSQNUZLMTG-ZDUSSCGKSA-N 323.393 -0.388 30 20 DBED C[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@@H]1Nc1cncc(C#N)n1 1067189088 IBAQHJXCYAMSPS-KOLCDFICSA-N 314.349 -0.127 30 20 DBED CN(CCCN(C)C(=O)C1(C(N)=O)CC1)C(=O)C#CC1CC1 1067376297 DFEQDCHHCBFPSY-UHFFFAOYSA-N 305.378 -0.028 30 20 DBED N#Cc1cccnc1N1C[C@@H](O)[C@H](CNC(=O)c2cnccn2)C1 1067645278 LBFKIJRVEDDKPH-TZMCWYRMSA-N 324.344 -0.030 30 20 DBED C[C@H](C#N)C(=O)N1CC2(C[C@H](NC(=O)CC(=O)N(C)C)CO2)C1 1068873964 INXBLPWTSCWDIP-MNOVXSKESA-N 322.365 -0.890 30 20 DBED C#CCN1CCn2ncc(CNC(=O)[C@@H]3CN(C)CCO3)c2C1 1069857064 YCHNQGGPTKAATQ-HNNXBMFYSA-N 317.393 -0.721 30 20 DBED Cn1cnc([C@@H]2CN(C(=O)Cn3cccn3)C[C@H]2NCC#N)c1 1070468738 OHELGLVHQLTGQX-GXTWGEPZSA-N 313.365 -0.276 30 20 DBED C=CCN1C[C@H]2C[C@H]3CN(C(=O)[C@H]4CN(C)CCO4)C[C@@]3(C1)O2 1070779737 GJIHPBWNYQQWCB-KLZNWCGWSA-N 321.421 -0.195 30 20 DBED C=CCN1C[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)CC[C@@H]1C 1071516749 BGALGCZZGVTNRX-QWRGUYRKSA-N 306.370 -0.468 30 20 DBED C#CCCN1C[C@H](NC(=O)Cn2cnc(C(N)=O)n2)CC[C@H]1C 1071517045 DQSNLZJHKHXHMT-VXGBXAGGSA-N 318.381 -0.631 30 20 DBED C#CCCCCC(=O)N[C@@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1C 1071556679 LKWWQWDTESQIIW-QWHCGFSZSA-N 318.381 -0.170 30 20 DBED C[C@@H]1CN(C(=O)CSCC#N)C[C@@H]1NC(=O)c1cn(C)nn1 1071662429 VEFSBUICTXBZFA-ZJUUUORDSA-N 322.394 -0.351 30 20 DBED C#CCCN1CCC2(C1)CN(C(=O)Cn1ncn(C)c1=O)C2 1072881549 ZUOASVMGYMVHBD-UHFFFAOYSA-N 303.366 -0.861 30 20 DBED CCOCCC(=O)N1CC(N2CCN(C(=O)[C@H](C)C#N)CC2)C1 1073597283 UZXUHYPYJQZPFE-CYBMUJFWSA-N 322.409 -0.072 30 20 DBED C#CCCCC(=O)N[C@H]1CCN(C(=O)Cn2ncnn2)C[C@@H]1C 1073915470 AYYSHMRUVWRTAR-STQMWFEESA-N 318.381 -0.170 30 20 DBED CC#CCN1CCO[C@H]2CCN(C(=O)CCn3cncn3)C[C@H]21 1074171481 VKWSDTNURDSUNE-CABCVRRESA-N 317.393 -0.007 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)Cn1cccn1 1076217898 MVXPHHNMWYNPPT-LBPRGKRZSA-N 319.365 -0.966 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H](C)CCNC(=O)c1cnnn1C 1076334020 MGFXWOWEQRCQKN-HZMBPMFUSA-N 309.370 -0.233 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCN(C)C2=O)C1 1077192177 SYSVXGUMRXYVSM-BFHYXJOUSA-N 309.410 -0.018 30 20 DBED CN(C(=O)CSCC#N)[C@@H]1CCCN(C(=O)C(N)=O)CC1 1078837131 YNIXTFFCLDRNPW-SNVBAGLBSA-N 312.395 -0.432 30 20 DBED N#CCN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)CN1CC(=O)NC1=O)C2 1079063538 BMKMQDMRSYKMBA-GMTAPVOTSA-N 305.338 -0.969 30 20 DBED CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)C[C@H](C)NC(N)=O)C1 1080414722 RKQXTWPSFKAYEP-UWVGGRQHSA-N 309.370 -0.348 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@H]1O 1081441667 KWESHMNIOJNETO-NWDGAFQWSA-N 323.393 -0.763 30 20 DBED CO[C@@H](C(=O)N1CCO[C@@H]2CN(CC#N)C[C@@H]21)c1cnn(C)c1 1083154085 DUOCFZIRZNOMKT-BFHYXJOUSA-N 319.365 -0.457 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CN(Cc3ncccn3)C[C@@H]2O)c[nH]1 1083414872 ZKYRFKVBWKTXDS-OLZOCXBDSA-N 312.333 -0.349 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCc3nncn3CC2)C1 1083652849 JPEVHVZUGFTMLM-XQQFMLRXSA-N 303.366 -0.975 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)c2cn3nccc3nc2C)C1 1083902361 OJWBLAURQAEUAA-KGLIPLIRSA-N 313.361 -0.164 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2cc3c(nc2O)CCC3)C1 1084055292 KEOZLHHXDRCJPU-KGLIPLIRSA-N 301.346 -0.316 30 20 DBED C=CCN1CC[C@H](NC(=O)CN2CCN(C)C(=O)C2)[C@H]1CC 1087630454 JWVQBSITNHKOEV-UONOGXRCSA-N 308.426 -0.085 30 20 DBED N#Cc1cncc(N2C[C@@H](O)[C@H](NC(=O)CC(F)(F)F)C2)n1 1090377845 NOUQCXWLPKICRG-RKDXNWHRSA-N 315.255 -0.034 30 20 DBED CCC(=O)NCC(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1C 1090669119 RBDXBCOHLZLPMU-ZYHUDNBSSA-N 316.365 -0.185 30 20 DBED CCO[C@@H](C)C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1091067026 JWLPGTHEWAJIJN-AXFHLTTASA-N 305.338 -0.561 30 20 DBED C#CCOCCC(=O)N[C@H]1CCN(c2nccc(C)n2)C[C@@H]1O 1092165387 XPVOEWGIDLSQCG-KBPBESRZSA-N 318.377 -0.119 30 20 DBED Cc1cc(C#N)nc(N2C[C@H]3C(NC(=O)CC(N)=O)[C@@H]3C2)n1 1093228941 ODMZRCNAQYHOPA-NXEZZACHSA-N 300.322 -0.917 30 20 DBED N#Cc1cnccc1N1C[C@H]2C(NC(=O)CCn3cnnn3)[C@@H]2C1 1093294689 YBEIHIGTBYPCKB-VXGBXAGGSA-N 324.348 -0.419 30 20 DBED N#Cc1nccnc1NCCNC(=O)c1cccn2c(O)nnc12 1093760642 CJGUVPLQILWHGH-UHFFFAOYSA-N 324.304 -0.062 30 20 DBED N#Cc1c[nH]ccc1=NCCNC(=O)CCN1C(=O)CCC1=O 1093976166 WRWJARYQEDRVGU-UHFFFAOYSA-N 315.333 -0.558 30 20 DBED N#CCN1CC(n2cc(CNC(=O)[C@@H]3CCCCO3)nn2)C1 1094283655 CBNHKMTXLIDZPX-ZDUSSCGKSA-N 304.354 -0.156 30 20 DBED C#CCN1CCN(C(=O)c2cc(C)on2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094603657 PFLWBNZZTXEUHP-QWHCGFSZSA-N 323.374 -0.460 30 20 DBED Cn1ccc(C(=O)N[C@H]2CC(=O)N(C3CN(CC#N)C3)C2)c1 1094728550 YUVDBBILUKYWKH-LBPRGKRZSA-N 301.350 -0.436 30 20 DBED CC(=O)NCC(=O)N1CC[C@@H](Nc2nc(C)cc(C#N)n2)C1 1095008276 PQTYYUNFWQBIEU-LLVKDONJSA-N 302.338 -0.194 30 20 DBED CCS(=O)(=O)CC(=O)N1CC[C@@H](Nc2cnc(C#N)cn2)C1 1095043484 XNWNBVUVLSAAGP-SNVBAGLBSA-N 323.378 -0.204 30 20 DBED CN1CC[C@H](C(=O)NCCCN(C)c2ccnc(C#N)n2)C1=O 1095701705 UIBMRXAOLBHWHT-LLVKDONJSA-N 316.365 -0.231 30 20 DBED C[C@@H](CC(N)=O)C(=O)N[C@H]1CCCN(c2nccnc2C#N)C1 1096218933 QFINBCBVJABZKB-QWRGUYRKSA-N 316.365 -0.055 30 20 DBED CNC(=O)NCC(=O)N[C@@H]1CCN(c2snc(C)c2C#N)C1 1096493026 HRNLCSCNQXTXLX-SECBINFHSA-N 322.394 -0.053 30 20 DBED C[C@@H](CNC(=O)C[C@@H]1CCC(=O)N1)Nc1cncc(C#N)n1 1097949760 BCPDNDAYPLNIEE-UWVGGRQHSA-N 302.338 -0.066 30 20 DBED C=CCCC(=O)N1CC[C@@H](n2cc(CN[C@H](C)C(N)=O)nn2)C1 1098634427 RZCHKCFYNZINRN-DGCLKSJQSA-N 320.397 -0.019 30 20 DBED C=C(Cl)CN1CC[C@H](NC(=O)CNC(=O)CC)[C@H](O)C1 1099738449 NMRJUZFAGPSHFU-WDEREUQCSA-N 303.790 -0.184 30 20 DBED N#CCN1CC[C@H](NC(=O)CCCCc2cnn[nH]2)[C@@H](O)C1 1099933671 SAUUZTYJCXMXJR-STQMWFEESA-N 306.370 -0.408 30 20 DBED C=CC(C)(C)C(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[nH]2)C[C@H]1O 1099944313 LTWAQAWNBMTFNB-WDEREUQCSA-N 323.397 -0.628 30 20 DBED COC(=O)[C@@H]1C[C@@H]1C(=O)NCCN(C)c1nccnc1C#N 1099961414 SDVKMDFZYCOBCF-VHSXEESVSA-N 303.322 -0.290 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2conc2C)[C@@H](O)C1 1099978443 GGIKVACJOVUNAD-KGLIPLIRSA-N 307.350 -0.202 30 20 DBED COCC#CCNC1CC(CNC(=O)[C@H]2CN(C)CCO2)C1 1100212272 VUPUSYQKONCIRV-YMAMQOFZSA-N 309.410 -0.549 30 20 DBED CC(=O)N(C)CC(=O)NC[C@H]1CCCN1c1ccnc(C#N)n1 1100790079 VHQOUXHUROJNCK-GFCCVEGCSA-N 316.365 -0.088 30 20 DBED N#Cc1cncc(N2CC[C@H](CNC(=O)Cn3nccn3)C2)n1 1101019917 ZUBRXDLFAHMOCG-LLVKDONJSA-N 312.337 -0.418 30 20 DBED COCC#CCN1C[C@@H](C)[C@H](CNC(=O)CN(C)C(C)=O)C1 1101738402 MKIFRQKAALSVEC-UKRRQHHQSA-N 309.410 -0.201 30 20 DBED CN(CCNc1nccnc1C#N)C(=O)C(=O)NCC1CC1 1101739096 VERRYIDPEOCPEI-UHFFFAOYSA-N 302.338 -0.255 30 20 DBED CCN(C(=O)CC(N)=O)[C@@H]1CCN(c2cnc(C#N)cn2)C1 1102783311 BECKNEKNXIQZSE-LLVKDONJSA-N 302.338 -0.349 30 20 DBED Cc1cc(=NC[C@@H](C)CNC(=O)[C@H]2COC(=O)N2)c(C#N)c[nH]1 1103945178 LZPLEBVZPSNENA-NOZJJQNGSA-N 317.349 -0.044 30 20 DBED C#CCNC(=O)CNCc1cn(C2CN(C(=O)CCC)C2)nn1 1105136928 MTAYYVQMKUKODL-UHFFFAOYSA-N 318.381 -0.700 30 20 DBED CN(CCN(C)c1ncccc1C#N)C(=O)[C@@H]1CCNC1=O 1105535408 NYXABXABCHUFRX-GFCCVEGCSA-N 301.350 -0.016 30 20 DBED Cn1cnc(C(=O)NC[C@@H](O)CNc2cncc(C#N)n2)c1 1105793266 ZJWSDKPTTGQKCM-JTQLQIEISA-N 301.310 -0.715 30 20 DBED Cc1cc(=NC[C@H](O)CNC(=O)CC(C)(C)O)c(C#N)c[nH]1 1105803476 DIWLSTCYIVEWNL-LBPRGKRZSA-N 306.366 -0.266 30 20 DBED Cc1cc(=NC[C@@H](O)CNC(=O)c2[nH]cnc2C)c(C#N)c[nH]1 1105888261 OSWSFGUIEYAXSZ-GFCCVEGCSA-N 314.349 -0.082 30 20 DBED COC1CC(C(=O)NC[C@H](O)CNc2cnc(C#N)cn2)C1 1105997246 MYDGSFALXORAIM-CKBZRRDASA-N 305.338 -0.338 30 20 DBED N#Cc1cccnc1NC[C@@H](O)CNC(=O)c1c[nH]c(=O)cn1 1106091016 IVMIWVGGMVYNIS-SNVBAGLBSA-N 314.305 -0.761 30 20 DBED CCN(CCNc1ccc(C#N)nn1)C(=O)Cn1cncn1 1106770434 KCMOZQFHYLXNLE-UHFFFAOYSA-N 300.326 -0.100 30 20 DBED CN1CCOC[C@H]1C(=O)NC/C=C/CNc1nccnc1C#N 1107162828 VPYBKEWKUIOYJL-IBUXWKBASA-N 316.365 -0.237 30 20 DBED C#CCN1CC(n2cc(CNC(=O)COCCCOC)nn2)C1 1107227267 IDVMETLIGCMEJJ-UHFFFAOYSA-N 321.381 -0.563 30 20 DBED C#CCCN1CCO[C@@](C)(CNC(=O)c2nccnc2N)C1 1107827743 ZDGZVWKMGHUSKJ-HNNXBMFYSA-N 303.366 -0.097 30 20 DBED C=C(C)CCC(=O)N[C@H]1CC(=O)N(C2CN([C@H](C)C(N)=O)C2)C1 1108548622 SCPIRVMTWHLOKK-NEPJUHHUSA-N 322.409 -0.382 30 20 DBED COCC#CCN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1nc[nH]n1)C2 1108793982 KVADJRJVDKNVRI-MJBXVCDLSA-N 317.393 -0.034 30 20 DBED CC(=O)N(C)CC(=O)N[C@H](C)CN(C)c1ccc(C#N)nn1 1108827031 DVDNHZMPSZCMCP-SNVBAGLBSA-N 304.354 -0.233 30 20 DBED CN(CCCN=c1cc[nH]c(C#N)n1)C(=O)c1c[nH]c(=O)cn1 1109606138 NCKOATPPVCTCFB-UHFFFAOYSA-N 313.321 -0.572 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H](NC(=O)[C@H]1C[C@H]1C(N)=O)C1CC1 1109977899 CXBBXJOGBHIFOL-MBNYWOFBSA-N 313.361 -0.197 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H]1CCCNC1=O 1110690314 ZBULRPWKTCDECR-TUVASFSCSA-N 319.405 -0.116 30 20 DBED CCC(=O)NCC(=O)N[C@]1(C)CCN(c2ccc(C#N)nn2)C1 1110733201 GSROTWRAHNUETM-OAHLLOKOSA-N 316.365 -0.041 30 20 DBED N#Cc1nccnc1NCCN(CCO)C(=O)c1ccnnc1 1111567355 BZUPEOSOFLPNQU-UHFFFAOYSA-N 313.321 -0.315 30 20 DBED C[C@@H]1CN(c2ccnc(C#N)n2)CC[C@@H]1NC(=O)CNC(N)=O 1112392845 MKSKAHPYYFKCAD-ZJUUUORDSA-N 317.353 -0.652 30 20 DBED C[C@H]1C[C@H](NC(=O)CNC(N)=O)CCN1c1nccnc1C#N 1112456857 DLNFARXQKUSQSC-VHSXEESVSA-N 317.353 -0.510 30 20 DBED N#CCNC[C@]12CCC[C@H]1CN(C(=O)CN1CCNC(=O)C1)C2 1112507611 RQTCKPVKMKIXDZ-BBRMVZONSA-N 319.409 -0.840 30 20 DBED CCOCCNC(=O)CN1CCN(C(=O)C#CC(C)C)CC1 1112830915 KFSPDHACPHYBBR-UHFFFAOYSA-N 309.410 -0.057 30 20 DBED C[C@H](N=c1cc[nH]c(C#N)n1)[C@@H](C)NC(=O)C1=COCCO1 1112892151 JHHSIJTVLCHMRO-VHSXEESVSA-N 303.322 -0.037 30 20 DBED C[C@@H](CNC(=O)C[C@H]1CCNC1=O)N(C)c1cncc(C#N)n1 1113755372 BLOJBTIWDYSTDI-WDEREUQCSA-N 316.365 -0.185 30 20 DBED Cn1cc(CN2C[C@H]3[C@H](NC(=O)CSCC#N)[C@H]3C2)nn1 1113896610 FSIWWTDLICSBMI-PJXYFTJBSA-N 306.395 -0.382 30 20 DBED C[C@H](OCC1CC1)C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1113992535 JAYAEDJBSKHYAN-MUYACECFSA-N 320.393 -0.512 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)c3cn(C)cn3)[C@H]2C1 1114139990 XWIHDUXZOSXBJI-CIQGVGRVSA-N 317.393 -0.229 30 20 DBED CO[C@H](C(=O)NC1[C@H]2CN(CC(=O)NCC#N)C[C@H]12)C1CC1 1114209056 KGIDHIGBBSJTKO-MJVIPROJSA-N 306.366 -0.902 30 20 DBED CCCC[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)CC(N)=O 1114238338 GSWYTJFVGJHOPB-SNVBAGLBSA-N 304.354 -0.268 30 20 DBED CC(=O)NCCOCCN1C[C@@H]2C(NC(=O)C#CC(C)C)[C@H]2C1 1114247170 GGIHZUBDXJTSCC-GJZGRUSLSA-N 321.421 -0.155 30 20 DBED C[C@@H](CCCN=c1cc[nH]cc1C#N)NC(=O)[C@H]1CNC(=O)N1 1115062204 NTIWLFUFFPXAKH-GXFFZTMASA-N 316.365 -0.247 30 20 DBED C#CCCN1C[C@@H]2C(NC(=O)CCS(=O)(=O)N(C)C)[C@H]2C1 1115282425 OJAMJIRKKQWBBF-RYUDHWBXSA-N 313.423 -0.662 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)[C@@H](C)OCC=C)[C@@H]2C1 1115332870 QSKWAPJYEYLJBM-JHJVBQTASA-N 307.394 -0.074 30 20 DBED CCS(=O)(=O)NCC(=O)NCC1(NCC#N)CCCCC1 1115560927 CTPZLUZBUMMLQC-UHFFFAOYSA-N 316.427 -0.142 30 20 DBED C=CCS(=O)(=O)CCNC1CCN(S(C)(=O)=O)CC1 1116535971 UWXGHBXXWVRKRZ-UHFFFAOYSA-N 310.441 -0.399 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCO[C@@]2(CCO[C@H]2C)C1 1117391327 OYFQGMWHPVOZNF-WFASDCNBSA-N 310.350 -0.841 30 20 DBED C=CCN(C(=O)C(=O)N1C[C@H]2C(=O)N(C)C(=O)[C@H]2C1)C(C)C 1119001079 OPYGLIFNXYSJJC-PHIMTYICSA-N 307.350 -0.517 30 20 DBED C[C@H](C#N)C(=O)NC1CC2(CC(NCc3nc(=O)n(C)[nH]3)C2)C1 1120834455 HNCLXUZVUDBHJA-RURBXUPXSA-N 318.381 -0.215 30 20 DBED N#Cc1cncc(N[C@@H](CO)CNC(=O)c2ccnc(O)c2)n1 1121310070 DZBCFEUJJIXAMO-LLVKDONJSA-N 314.305 -0.348 30 20 DBED N#Cc1cnc(N[C@@H](CO)CNC(=O)c2ccnc(O)c2)cn1 1121311078 NVIFMWQVWOWSRQ-LLVKDONJSA-N 314.305 -0.348 30 20 DBED COC[C@@H](C)C(=O)NC[C@H](CO)N=c1cc(C)[nH]cc1C#N 1121324719 PRZROOCBORSPDA-ZWNOBZJWSA-N 306.366 -0.145 30 20 DBED N#CCNC1CC2(C1)CC(NC(=O)C(=O)NCC(F)F)C2 1121340618 AYSHPWQUOAPPCH-UHFFFAOYSA-N 300.309 -0.092 30 20 DBED N#Cc1nc(=N[C@@H](CO)CNC(=O)[C@H]2CCCCO2)cc[nH]1 1121455279 OYIGPTSZYARUGW-GHMZBOCLSA-N 305.338 -0.772 30 20 DBED Cc1ccc(C#N)c(N[C@@H](CO)CNC(=O)CCCC(N)=O)n1 1121712362 XIWPPCUVSIWHBL-GFCCVEGCSA-N 319.365 -0.194 30 20 DBED COc1nc(C(=O)NC[C@H](CO)N=c2cc[nH]cc2C#N)co1 1122286778 VXTMBVNMTJZKEQ-SNVBAGLBSA-N 317.305 -0.425 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CCCN(c2cncc(C#N)n2)[C@@H]1C 1123536331 AIGDDKLHQZAEJH-ZYHUDNBSSA-N 316.365 -0.042 30 20 DBED C=C[C@@](C)(O)CC(=O)N(C)C[C@@H](O)CN=c1cc[nH]c(C#N)n1 1124266652 KDLYEBYNTRQJGF-XHDPSFHLSA-N 319.365 -0.672 30 20 DBED CN(C[C@H](O)CNc1ncccc1C#N)C(=O)c1cnnn1C 1124271549 MBWJOXZODAHKNF-LLVKDONJSA-N 315.337 -0.373 30 20 DBED Cc1nn[nH]c1C(=O)N(C)C[C@@H](O)CNc1ccc(C#N)cn1 1124633928 RBZYPGYVHABWJQ-NSHDSACASA-N 315.337 -0.075 30 20 DBED C=C[C@](C)(O)CC(=O)NCCNCCOCCNC(C)=O 1126366730 YZAATRQDPKVVJX-AWEZNQCLSA-N 301.387 -0.828 30 20 DBED C#CCN1CCn2ncc(CNC(=O)C[C@@H]3COC(=O)C3)c2C1 1128295782 WFUKAINACGJULM-LBPRGKRZSA-N 316.361 -0.099 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1c(F)cncc1F 1128367577 LGFYRVCPLXNWJF-VIFPVBQESA-N 310.304 -0.183 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1cnn2c1CCC2 1128931601 RSXDINMMCMDXQX-LLVKDONJSA-N 303.366 -0.713 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCNCc1nnc(CC)o1 1129770894 MWBIYYWMRQKTCI-LBPRGKRZSA-N 305.382 -0.065 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@@H](C)OCC=C)C[C@@H]1n1ccnn1 1130151203 IXHXMFSGMDEHDP-MCIONIFRSA-N 303.366 -0.156 30 20 DBED C=CCN[C@@H]1CN(C(=O)CNC(=O)OC)C[C@H]1c1cn(C)cn1 1130509691 MQUMWUVWFNWZNZ-WCQYABFASA-N 321.381 -0.154 30 20 DBED C[C@@H](C#N)C(=O)NCc1nc([C@H]2COCCN2CCCO)n[nH]1 1130839801 PKPOKZYDCIQFMF-WDEREUQCSA-N 322.369 -0.664 30 20 DBED CC#CCN1C[C@H]2C[C@H]3CN(C(=O)CNC(=O)NC)C[C@@]3(C1)O2 1131238482 YKSZRZWUBSADPZ-WOSRLPQWSA-N 320.393 -0.760 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)C2(C(N)=O)CC2)CC[C@H]1C 1132253400 TZHCSXKXCLHMEK-NEPJUHHUSA-N 322.409 -0.477 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)Cn1ccc(C)cc1=O 1134538032 LBRLNDOYFRGKJL-CYBMUJFWSA-N 318.377 -1.000 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)C(=O)N1CCC[C@H](C)C1 1134878163 RVYHUWDXVVNVBD-QWHCGFSZSA-N 324.425 -0.359 30 20 DBED Cc1noc(C)c1C[C@@H](C)C(=O)NCCNCC(=O)NCC#N 1134921051 NADZEWYIBJUPRK-SNVBAGLBSA-N 321.381 -0.184 30 20 DBED C#CCN1CCC2(C1)CN(C(=O)C(C)(C)NS(C)(=O)=O)C2 1148402520 WFBCYLFQRVVRJG-UHFFFAOYSA-N 313.423 -0.518 30 20 DBED C#CCNC(=O)CN1CCCO[C@@H](CNC(=O)C(F)F)C1 1148994977 MMYJHUXOLLXWBS-JTQLQIEISA-N 303.309 -0.792 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1cnn2cc[nH]c12 1149043177 XGWOPZKPILRKKK-SNVBAGLBSA-N 302.338 -0.880 30 20 DBED C#CCNC(=O)CN1CCCO[C@H](CNC(=O)[C@@H]2C[C@H]2C)C1 1150071526 PGKWQUZCFFZJHQ-MGPQQGTHSA-N 307.394 -0.401 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)[C@H](NC(C)=O)C(C)C)C1 1150607159 QDAKYEHWUOZNAS-LSDHHAIUSA-N 309.410 -0.013 30 20 DBED CO[C@H](Cc1ccccc1)C(=O)NCCNCC(=O)NCC#N 1151606902 RGUOGSJFFURGFA-CQSZACIVSA-N 318.377 -0.410 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)c1cccc(O)n1 1156220196 INGSCRKQYXMSNU-NSHDSACASA-N 304.350 -0.365 30 20 DBED C#CCN(CC)[C@H](C)CNC(=O)CN1C(=O)NC(C)(C)C1=O 1156733997 OOUUWHSRCUJEJO-LLVKDONJSA-N 308.382 -0.223 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)CCn2ccnn2)C1=O 1157122645 MKHDBWLGDUOZNP-ZDUSSCGKSA-N 320.397 -0.449 30 20 DBED C=C[C@](C)(O)CC(=O)NCCCN[C@@H](C)C(=O)NC(=O)NC 1157202866 YWCOIFMARUWJFC-HZMBPMFUSA-N 314.386 -0.747 30 20 DBED CN(C)CCC(=O)N1CCCC[C@@H]1CN(C)CC(=O)NCC#N 1158435181 VJZKNIZKJLGBAI-CQSZACIVSA-N 323.441 -0.109 30 20 DBED CC#CCN1CCC(CNC(=O)CCNC(N)=O)(COC)CC1 1162598709 FACFJVUDRPJQEG-UHFFFAOYSA-N 324.425 -0.087 30 20 DBED COCc1nocc1C(=O)NCCCNCC(=O)NCC#N 1170958615 FFHABXQXXJPIMK-UHFFFAOYSA-N 309.326 -0.830 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1cc(C(N)=O)cs1 1177060286 YXCZXPXSEKQBOI-UHFFFAOYSA-N 322.390 -0.694 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2cncnc2)[C@H]1C 1178516462 GBZZFWBGAFBNNQ-AAEUAGOBSA-N 301.350 -0.581 30 20 DBED C#CCOCCC(=O)N1CC[C@H](NCC(=O)NCC#N)[C@@H]1C 1178681890 RUBWTEMLAJZLTI-STQMWFEESA-N 306.366 -0.755 30 20 DBED C#CCOCCC(=O)N1CC[C@H](N[C@@H](C)C(=O)NC(N)=O)[C@@H]1C 1178688397 BEWBKNMOHDRCED-SRVKXCTJSA-N 324.381 -0.811 30 20 DBED CCN(CCC#N)C(=O)CN[C@@H]1CCN(C(=O)c2cnn[nH]2)C1 1183912951 QEVMKAQXKGTQAP-LLVKDONJSA-N 319.369 -0.629 30 20 DBED CNC(=O)CC(=O)N1CC[C@H](CNCC#CCOC)[C@@H](C)C1 1184259891 BICVJQCJUNCIIR-UONOGXRCSA-N 309.410 -0.154 30 20 DBED C=CCCCNCc1cn([C@@H]2CCCN(C(=O)C(N)=O)C2)nn1 1185992314 ITPMYIXGMJMGRU-CYBMUJFWSA-N 320.397 -0.017 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)CNC(=O)OC)C1 1189120785 DFDPFCGRWCOQKN-LLVKDONJSA-N 312.370 -0.823 30 20 DBED C=CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3cnn(C)n3)[C@@H]2C1 1189414915 WYSMPWZDXGVYNB-WCQYABFASA-N 318.381 -0.736 30 20 DBED COCC#CCN(C)[C@H]1CCN(C(=O)[C@H]2OCCO[C@H]2C)C1 1190733228 FAHGECLPEZGRBI-KKUMJFAQSA-N 310.394 -0.027 30 20 DBED C[C@H](c1ncccn1)N1C[C@@H](O)[C@H](NC(=O)CSCC#N)C1 1191149294 LXSAEPMGGYKPSB-IJLUTSLNSA-N 321.406 -0.044 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(Cc2nc(CC)no2)C[C@H]1O 1191777415 KXSODCXDFHYGGX-GHMZBOCLSA-N 310.354 -0.504 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)Cc2ccc(C)o2)C1 1192258608 VUZYVZCPAJHGKS-ZIAGYGMSSA-N 319.361 -0.959 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C[C@H](C)SC)C1 1192312634 ANLSPCCMPDJGOJ-QJPTWQEYSA-N 313.423 -0.961 30 20 DBED CCCN(C)CCC(=O)N1CC[C@@H](N(C)CC(=O)NCC#N)C1 1193600426 CQMIUIHYJOREDQ-CQSZACIVSA-N 323.441 -0.109 30 20 DBED COCC#CCN1CCCN(C(=O)c2nccnc2N)CC1 1195338435 NZSKZEJFEIVZPU-UHFFFAOYSA-N 303.366 -0.144 30 20 DBED C=CCC1(C(=O)N[C@@H]2CN(C[C@@H](O)COC)C[C@H]2O)CCC1 1195897083 OAPMAVRRJDZGLE-MGPQQGTHSA-N 312.410 -0.099 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C2(CC)CCCC2)C1 1197403035 AYYGAOZDKUTTHE-ZIAGYGMSSA-N 321.421 -0.133 30 20 DBED C=CCNC[C@@H]1CN(C(=O)[C@H](C)N2C(=O)CCC2=O)CCCO1 1200635145 RYBBZVHJPWKHKT-QWHCGFSZSA-N 323.393 -0.083 30 20 DBED C=C(C)CNC[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)CCCO1 1200841586 QGOCDGKAJSEKGG-CYBMUJFWSA-N 323.397 -0.635 30 20 DBED C#CCNC[C@H]1CN(C(=O)[C@@H]2CCc3nn[nH]c3C2)CCCO1 1201849918 ZYAKHVQDCKRJNC-OLZOCXBDSA-N 317.393 -0.250 30 20 DBED C#CCNC(=O)[C@H](C)NC1CCN(C(=O)Cn2ccnc2)CC1 1204092769 QXUUSGUSRDQJNS-ZDUSSCGKSA-N 317.393 -0.398 30 20 DBED C#CCNC(=O)CC(=O)N1CCC(CNC[C@H](C)OC)CC1 1205050498 SBLKDJNFZVKFMR-ZDUSSCGKSA-N 309.410 -0.011 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)CC2(O)CCC2)CC1 1205189241 RJJMIJYZGOUYQL-UHFFFAOYSA-N 321.421 -0.131 30 20 DBED C#CCNCC1CCN(C(=O)CN2CCCS2(=O)=O)CC1 1205422053 AFJGDGHYVJKSKC-UHFFFAOYSA-N 313.423 -0.517 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)Cn2cccn2)[C@H](C)C1 1205964891 KVVHLCDTIGQAJR-CHWSQXEVSA-N 303.366 -0.931 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1206914527 IQXQTEXAHJOWIF-JMSVASOKSA-N 308.382 -0.610 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)CCOCC#C)[C@H](C)C1 1206957613 GJEKRUPYYVGWES-ZIAGYGMSSA-N 305.378 -0.788 30 20 DBED N#CCSCC(=O)N1CCC[C@@H](N[C@H]2CCC(=O)NC2=O)C1 1207410763 WLABCIVQQDQJPO-MNOVXSKESA-N 324.406 -0.371 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCN(C(=O)CCc2cnc[nH]2)C1 1208299139 KSHQLIQNMKXGRL-CYBMUJFWSA-N 318.381 -0.437 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2cnn(C)c2)C[C@H]1OC 1212262753 XVVMUNLIWJUDPL-HUUCEWRRSA-N 320.393 -0.225 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)CCSCC)C1 1219261332 CIADDTVZFKCQFB-NEPJUHHUSA-N 315.439 -0.407 30 20 DBED C#CCCCCC(=O)N[C@@H]1CN(CCN2CCCC2=O)C[C@@H]1O 1219490558 NBHWULNZYHXKQB-CABCVRRESA-N 321.421 -0.036 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(Cc2nc(N(C)C)no2)C[C@@H]1O 1219581530 PARQIQOWHCMOMZ-NEPJUHHUSA-N 321.381 -0.544 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)CCCCN2CCOCC2)C1 1220545805 OQMPJOXBGZMUFD-CABCVRRESA-N 311.426 -0.164 30 20 DBED N#CCN1CC[C@@H]2CN(C(=O)CNC(=O)c3cccnc3)[C@@H]2C1 1221827685 JXHMEKTZDGKQKH-ZIAGYGMSSA-N 313.361 -0.132 30 20 DBED C#CCN1CCC(CNC(=O)CCn2ncn(C)c2=O)CC1 1223928923 LSAWVYBLCZONDI-UHFFFAOYSA-N 305.382 -0.567 30 20 DBED COCC#CCN1CCC(CNC(=O)[C@@H](C)CC(N)=O)CC1 1224041301 DCJVLZOTLZZELX-ZDUSSCGKSA-N 309.410 -0.024 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)NC(C)=O 1224612522 AXZQHPUNECOXHQ-MRVWCRGKSA-N 324.425 -0.170 30 20 DBED C#CCNC(=O)CC(=O)NC1CCN(Cc2ncccn2)CC1 1226962006 WIZOTNZRVTULDB-UHFFFAOYSA-N 315.377 -0.303 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)c1cncnc1 1233819627 NQVBENSGAWXKPS-CYBMUJFWSA-N 301.350 -0.628 30 20 DBED C#CCNC(=O)CN(C)CCCNC(=O)[C@@H](C)n1cccn1 1234261962 RSXASBXAVISOPC-CYBMUJFWSA-N 305.382 -0.368 30 20 DBED C#C[C@H](C)NC(=O)C(=O)Nc1ccc(OCC(=O)NC)cc1 1255508224 UMHCKADQLNXDBU-JTQLQIEISA-N 303.318 -0.112 30 20 DBED C[C@H]1CCN(C(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1 1258364066 MIWLNFLXIJHDNL-ZFEMDRMUSA-N 320.349 -0.503 30 20 DBED C=C[C@H](CO)NC(=O)C(=O)Nc1ccc(CC(=O)NC)cc1 1261630010 YBLQYAIYRBZTRP-LLVKDONJSA-N 305.334 -0.423 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N[C@@H]1CC[C@H](C(=O)OC)C1 1262297457 RFBKJFISOXDVRA-YNEHKIRRSA-N 324.377 -0.011 30 20 DBED Cn1ncc(C(=O)N2CC[C@H](NCC(=O)NCC#N)C2)c1Cl 1267012821 HNZSCUPCJACHTO-VIFPVBQESA-N 324.772 -0.483 30 20 DBED C#CCC[C@H](O)CNC(=O)c1nnn(Cc2noc(C)n2)c1C 1321198231 VBSKJXPJMJLDDD-NSHDSACASA-N 318.337 -0.170 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N[C@H]1CCc2nc(C)nn2C1 1322413041 CNNZFZRFDLGEGI-MNOVXSKESA-N 307.354 -0.665 30 20 DBED COCc1ccc(NC(=O)C(=O)NCC(=O)NCC#N)cc1 1326870760 LPBCMBOCFROFEE-UHFFFAOYSA-N 304.306 -0.473 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)C(=O)NCC[C@@H]2C[C@H]3CC[C@H]2O3)C1 1328317077 OWBXMFOCSHPICX-BRXULGCHSA-N 321.377 -0.063 30 20 DBED CN1C(=O)CN(CC(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1=O 1330226699 XCGKLHYGZOTORE-LLVKDONJSA-N 305.338 -0.921 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)NCC2CCNCC2)CCN1C1CC1 1332304346 XODCBJOWTQXPFC-AWEZNQCLSA-N 319.409 -0.699 30 20 DBED C=CCN(C(=O)C(=O)N1CCn2ncnc2C1)[C@H](C)COC 1347002117 DLDPELNRRAZTAS-LLVKDONJSA-N 307.354 -0.330 30 20 DBED C/C(=C\C(=O)NCC#CCN(C)C)C(=O)NCC#CCN(C)C 1347143310 OZOFNCNONPSUBE-CCEZHUSRSA-N 318.421 -0.705 30 20 DBED COC(=O)C(C)(C)NC(=O)CCn1cc(C#N)c(O)nc1=O 1361739590 WXRFJIOVEDVETJ-UHFFFAOYSA-N 308.294 -0.722 30 20 DBED Cn1c(=O)[nH]c(Oc2ccc(C(N)=O)cc2F)c(C#N)c1=O 1363169181 XACGAHZVMBMNQC-UHFFFAOYSA-N 304.237 -0.024 30 20 DBED COC(=O)N1CCC(Nc2[nH]c(=O)n(C)c(=O)c2C#N)CC1 1363731484 LXJLBZOCGHOHGR-UHFFFAOYSA-N 307.310 -0.412 30 20 DBED CNC(=O)c1cccc(C(=O)NC[C@H](C)NC(=O)[C@H](C)C#N)n1 1373021357 NLGKQPLZNQNICW-ZJUUUORDSA-N 317.349 -0.165 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCC(=O)N1C)NC(=O)c1ccc(C#N)[nH]1 1377539756 GOZLQIUCTZRETR-JOYOIKCWSA-N 317.349 -0.258 30 20 DBED Cc1cc(C(=O)N[C@@H](C)CNC(=O)[C@@H](C)C#N)ncc1C(N)=O 1387085761 MBFAZJNVCDYFSS-UWVGGRQHSA-N 317.349 -0.117 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CCN(C(=O)C2(NC(N)=O)CC2)C1 1387230738 SQAVOVMDBHRHKL-NXEZZACHSA-N 307.354 -0.688 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C(=O)CNC(=O)C(C)(C)C)CC1 1396723250 CWXIQSHZLSZVAE-LLVKDONJSA-N 308.382 -0.021 30 20 DBED CNC(=O)NCC(=O)N1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 1407773942 SZOKMBXXLBGSEB-JTQLQIEISA-N 318.337 -0.854 30 20 DBED C=C(Cl)CN1CC(N2CCN(C(=O)CNC(C)=O)CC2)C1 1408147491 UMZLLYFDHQFNRX-UHFFFAOYSA-N 314.817 -0.297 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C(=O)c1cn(C)c(=O)n1C)C1CC1 1408940352 QHRUSPQDPGALON-JTQLQIEISA-N 319.365 -0.396 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)[C@@H](C)CS(C)(=O)=O)CC1 1410800506 AXMNFNWZSFABFW-UWVGGRQHSA-N 315.395 -0.408 30 20 DBED Cc1cc(C(=O)NC[C@]2(O)CCN(C(=O)[C@H](C)C#N)C2)n(C)n1 1411146469 KYOYWTIYEBKXCZ-MEBBXXQBSA-N 319.365 -0.419 30 20 DBED COC(=O)NCC(=O)N1CCC(N(C)C(=O)[C@@H](C)C#N)CC1 1412267453 GLYNUZFHPAYTKZ-JTQLQIEISA-N 310.354 -0.049 30 20 DBED N#CCCN(CCC#N)C(=O)CN1CC[C@H](c2nn[nH]n2)C1 1413046550 DOQQWSYDZYTNMC-NSHDSACASA-N 302.342 -0.355 30 20 DBED C[C@](CO)(NC(=O)Cn1cnc(C#N)n1)c1ccc(O)cc1 1418189321 WCEBRRKFTMXIBN-CQSZACIVSA-N 301.306 -0.121 30 20 DBED CC[C@H](C)NC(=O)CN1CCN(CCNC(=O)[C@H](C)C#N)CC1 1419136450 XSWVBWQMQQITOM-KGLIPLIRSA-N 323.441 -0.205 30 20 DBED Cc1ncccc1CCNC(=O)Cn1cc(C#N)c(O)nc1=O 1420488848 PMDJITAWTCCDOK-UHFFFAOYSA-N 313.317 -0.117 30 20 DBED CCCn1cc(C(=O)N(C)C[C@H](O)CNC(=O)[C@H](C)C#N)nn1 1425879644 SLMRFSFTTOXQHF-GHMZBOCLSA-N 322.369 -0.603 30 20 DBED C[C@@H](NC(=O)NCCn1cc(C#N)c(O)nc1=O)[C@H]1CCOC1 1427413948 SXCLSIJVFPXAGD-ZJUUUORDSA-N 321.337 -0.455 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CCN(C(=O)CN(C)C(=O)C2CC2)C1 1428868940 GECPFTRNUQUGIA-VXGBXAGGSA-N 320.393 -0.021 30 20 DBED CO[C@@H](C)CC(=O)NC[C@@H](O)CNC(=O)c1cc(C#N)c[nH]1 1431488633 FGUJJAXTXFKFDH-GXSJLCMTSA-N 308.338 -0.482 30 20 DBED CCn1cc(C(=O)N(C)C[C@@H](O)CNC(=O)[C@H](C)C#N)nn1 1444737162 JGPCHFYGQSKCLS-ZJUUUORDSA-N 308.342 -0.993 30 20 DBED CC(=O)N[C@H](C)C(=O)N(C)CCN(C)C(=O)c1c[nH]c(C#N)c1 1452067638 YEUHCMWQLCCXRP-SNVBAGLBSA-N 319.365 -0.059 30 20 DBED CN(CCNC(=O)CO[C@@H]1CCOC1)C(=O)c1ccc(C#N)[nH]1 1455287144 NKRJMOQCDGDBLE-GFCCVEGCSA-N 320.349 -0.120 30 20 DBED C[C@H](C#N)C(=O)NCCN(C)CCN1CCCS1(=O)=O 1492217111 JYCPBLDVCRAZHU-LLVKDONJSA-N 302.400 -0.770 30 20 DBED C[C@@H](CNC(=O)CCn1cnccc1=O)CNC(=O)[C@H](C)C#N 1500332400 AGELTBHXFSGCRC-NWDGAFQWSA-N 319.365 -0.338 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@@H](O)CNC(=O)[C@@H]2CCCOC2)c1 1501455465 ANFQLKSRJSTQFS-NEPJUHHUSA-N 320.349 -0.480 30 20 DBED C[C@H](C#N)C(=O)NCCN(C)C(=O)CNC(=O)c1ccncc1 1528596775 MQURBPHUMILKPU-LLVKDONJSA-N 317.349 -0.454 30 20 DBED N#Cc1ncc(N2CCC[C@H](n3ccnn3)C2)nc1-c1nn[nH]n1 1570932972 ZVOMQBYFTBIBCQ-VIFPVBQESA-N 323.324 -0.039 30 20 DBED C#CCCCC(=O)NCC1[C@@H]2CN(C(=O)CNC(=O)O)C[C@@H]12 1573304217 ZYJGYLKFORVKEJ-RYUDHWBXSA-N 307.350 -0.122 30 20 DBED C=C(Br)CN[C@H](CO)CNC(=O)CNC(=O)O 1573314095 XBALDIHWOCFCEA-ZETCQYMHSA-N 310.148 -0.771 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 1573560829 GWYSMTVXJOIUOT-QMMMGPOBSA-N 316.325 -0.457 30 20 DBED C#CCNC(=O)[C@@H](C)OC(=O)c1ccnc(-c2nn[nH]n2)c1 1588352963 BUVJLCDFJXNQQC-MRVPVSSYSA-N 300.278 -0.444 30 20 DBED C[C@]1(C#N)CCCN(C(=O)C(=O)N2CCO[C@H](C(=O)O)C2)C1 1589181573 ABNAEAKLCMOQNP-IINYFYTJSA-N 309.322 -0.549 30 20 DBED CC(C)(CC#N)CNC(=O)C(=O)N1CCO[C@@H](CC(=O)O)C1 1590615383 USWKAFZAQNXYAE-JTQLQIEISA-N 311.338 -0.255 30 20 DBED COC(=O)[C@@H]1CN(S(=O)(=O)CC(C)(C)C#N)C[C@@H]1C(=O)O 1598828477 WUJCRLMBLKKOHP-DTWKUNHWSA-N 318.351 -0.328 30 20 DBED N#Cc1cccc(S(=O)(=O)CCN2CC[C@](O)(C(=O)O)C2)c1 1601121170 GJENFENAGYWDFM-CQSZACIVSA-N 324.358 -0.147 30 20 DBED N#Cc1cccc(OCC(=O)N2CCNC(=O)[C@@H]2CC(=O)O)c1 1601121227 FDEBXPROPFPMSV-LBPRGKRZSA-N 317.301 -0.261 30 20 DBED C=CCN1CC[C@H](OC(=O)[C@H]2CCCN(CC(=O)O)C2=O)C1=O 1602723133 NVLMJGOKVWHUQH-QWRGUYRKSA-N 324.333 -0.360 30 20 DBED C=C(CCC(=O)O)C(=O)NC1CCN(S(N)(=O)=O)CC1 1602782551 OAAMWFJSZRIRCC-UHFFFAOYSA-N 305.356 -0.809 30 20 DBED Cn1cc(C#N)c(NC(=O)[C@@H]2CCCN(CC(=O)O)C2=O)n1 1605476801 FRDXSVOVVODIGI-VIFPVBQESA-N 305.294 -0.447 30 20 DBED C=CCN1CC[C@@H](N(C)S(=O)(=O)C[C@H](C)C(=O)O)C1=O 1609373815 REZDMEWPVDSEQI-VHSXEESVSA-N 304.368 -0.244 30 20 DBED COCC#CCN[C@@H](C)CNC(=O)Cn1nnc2c1CCCC2 1752900924 IAVMATBXBGDIPI-ZDUSSCGKSA-N 319.409 -0.099 30 20 DBED C=CCN(C)[C@H]1CCCN(C(=O)CS(=O)(=O)N(C)C)C1 1752997437 QBBJTZVPXVVFMH-LBPRGKRZSA-N 303.428 -0.013 30 20 DBED C#CCNC(=O)CN(CCNC(=O)[C@@H]1C[C@H](C)CO1)C1CC1 1753157153 XMKGOHVIJQMROU-JSGCOSHPSA-N 307.394 -0.259 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC(NC(=O)c2nccnc2N)C1 1753372762 AHMAHICIVDFWKV-SECBINFHSA-N 304.354 -0.837 30 20 DBED C=CCNC(=O)CN1CC(NC(=O)C[C@H](C)n2cccn2)C1 1753390920 BMZFNKMHAFDKIR-LBPRGKRZSA-N 305.382 -0.063 30 20 DBED CC[C@H](CNC(=O)c1ccc(C)nn1)NCC(=O)NCC#N 1753471644 QXEUCBZMNDLMQB-LLVKDONJSA-N 304.354 -0.477 30 20 DBED C=CCNC(=O)CN[C@H](CC)CNC(=O)c1ccc(=O)n(C)c1 1753477130 LYOPHCLBSKJYAB-CYBMUJFWSA-N 320.393 -0.215 30 20 DBED C#CCNC(=O)CNC[C@H]1[C@@H](C)CCCN1C(=O)CCN(C)C 1753809179 KMVDKJDBXJYVHK-GJZGRUSLSA-N 322.453 -0.096 30 20 DBED C=CCCNC[C@@H]1CCCN1C(=O)Cn1ccc(=O)n(C)c1=O 1754611336 ZDXCUVRUAOMPNM-ZDUSSCGKSA-N 320.393 -0.296 30 20 DBED CC#CCN1CC[C@](O)(CNC(=O)C(=O)N2CCC(C)CC2)C1 1754761047 YKGPMRZFAKMHIJ-KRWDZBQOSA-N 321.421 -0.179 30 20 DBED CC#CCN1CC(O)(CNC(=O)C[C@H]2CCCS2(=O)=O)C1 1754771343 VHGLYHHGZKTTOA-GFCCVEGCSA-N 314.407 -0.860 30 20 DBED C=CCNC1CCN(CCNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 1754850631 PFTIZVOFWUXPGX-UONOGXRCSA-N 324.425 -0.625 30 20 DBED COCC#CCN1CCC2(CC1)CN(C(=O)c1cnn[nH]1)C2 1754961630 AKQBCVGHZWHDSX-UHFFFAOYSA-N 303.366 -0.008 30 20 DBED N#CCNC(=O)CN1CCOC[C@H]1CNC(=O)[C@@H]1CC1(F)F 1754966394 UUSCLAHSNDLWTI-ZJUUUORDSA-N 316.308 -0.902 30 20 DBED C#CCCNC[C@H]1CN(C(=O)c2cccn3nnnc23)CCO1 1754999623 BSIHJZONKFOOHP-LBPRGKRZSA-N 314.349 -0.422 30 20 DBED C=C[C@@](C)(O)CC(=O)NC1(CN[C@@H](C)C(N)=O)CCOCC1 1755095076 VAHJFNGGSCEEHS-SMDDNHRTSA-N 313.398 -0.558 30 20 DBED C[C@H]1CN(C(=O)C2(CN(C)C)CC2)C[C@H]1NCC(=O)NCC#N 1755114681 UYATZLWGYILJLI-QWHCGFSZSA-N 321.425 -0.596 30 20 DBED CNC(=O)NC(=O)CN1CC([C@H](C)NC(=O)C#CC2CC2)C1 1755372880 FEPRXOGIVDEMKN-JTQLQIEISA-N 306.366 -0.708 30 20 DBED C[C@@H](NCC#N)[C@H]1CN(C(=O)c2cnc3[nH]nnc3c2)CCO1 1755441482 GONSFTDAWUCFIS-BXKDBHETSA-N 315.337 -0.304 30 20 DBED C[C@H]1[C@@H](NC(=O)Cn2ccnc2)CCCN1CC(=O)NCC#N 1755722731 LBITWDZSKCABET-STQMWFEESA-N 318.381 -0.508 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H](C)N(C)C(=O)C1=COCCO1 1756026184 AXWDSLZBSCFSKG-RYUDHWBXSA-N 310.350 -0.124 30 20 DBED CNC(=O)CC(=O)N[C@@H](C)[C@H]1CN(C(=O)C#CC(C)C)CCO1 1756216249 HNHQLROPZFQJJA-QWHCGFSZSA-N 323.393 -0.486 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H](CO)NC(=O)CC1CC1 1756530593 SSFGIVFMPSVGCA-KGLIPLIRSA-N 307.394 -0.523 30 20 DBED CC(C)C#CC(=O)N(C)C[C@H](O)CNC(=O)Cn1ccnc1 1756662212 JTNFPGWSFLLDMH-CYBMUJFWSA-N 306.366 -0.522 30 20 DBED C=CCOCCCC(=O)N[C@H]1C[C@@H](NC(=O)C(N)=O)C12CCC2 1757042853 LICSWYQIYSLGBB-NWDGAFQWSA-N 323.393 -0.002 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@]2(C)CCNC2=O)C1 1757332826 UYOAIPHQYPUFDA-ZVXAKGHKSA-N 306.366 -0.317 30 20 DBED N#CCC(=O)N1CCC2(CCCN(C(=O)[C@@H](N)CN)C2)CC1 1810853389 YEHAOXASEIKNNK-LBPRGKRZSA-N 307.398 -0.583 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CCCN2C)CC1 113433397 MLCMILBEMLAJLN-CQSZACIVSA-N 306.410 -0.636 30 20 DBED C=CCN(CC=C)C(=O)Cn1cc(C(C)=O)c(=O)n(C)c1=O 134552480 GQLNDRAAUMRZLD-UHFFFAOYSA-N 305.334 -0.050 30 20 DBED CC(=O)NC[C@H]1CN(CC(=O)N[C@](C)(C#N)C(C)C)CCO1 246644374 FEYZXCLFUFDXOM-DZGCQCFKSA-N 310.398 -0.122 30 20 DBED CC[C@H](C#N)NC(=O)c1cc(C)c2c(=O)n(C)c(=O)n(C)c2n1 265640279 LSDBRUVGKUPBJV-SECBINFHSA-N 315.333 -0.027 30 20 DBED CC[C@H](CC#N)NC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 273831726 GDIAZJWCPSFWNK-AIPRNEOBSA-N 305.334 -0.043 30 20 DBED C=CCN(C(=O)CN1CCOCC1=O)[C@@H]1CCS(=O)(=O)C1 279792637 IUBBCANYKBFGMA-LLVKDONJSA-N 316.379 -0.953 30 20 DBED C#CCN(C)C(=O)C(=O)N1C[C@@H](C(=O)NC)Oc2ccccc21 283672014 RDZSYIJKSJJGOM-ZDUSSCGKSA-N 315.329 -0.382 30 20 DBED CN1CCO[C@H](/C(O)=N/C[C@H]2CCCN2S(C)(=O)=O)C1 328748093 QGQDAKZUBFHZNC-MNOVXSKESA-N 305.400 -0.303 30 20 DBED C[C@@H]1CN(/C(O)=N/C[C@@H]2COCCO2)C[C@@H]1N1CCOCC1 330287657 BHOXPCHECZJATN-MCIONIFRSA-N 313.398 -0.032 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1CC[C@H](C)[C@@H]1CO 330372033 ABMCGSWIXWEKLU-RYUDHWBXSA-N 305.400 -0.204 30 20 DBED CNS(=O)(=O)CC/N=C(/O)N[C@H](C)c1cnn(C)c1C 331255625 AMWORAMCDPBXPR-MRVPVSSYSA-N 303.388 -0.158 30 20 DBED C[C@H](NS(=O)(=O)N1CCO[C@@H](C#N)C1)C(=O)N1CCCC1 337255544 SWQNPUGTOXDWCN-QWRGUYRKSA-N 316.383 -0.944 30 20 DBED N#Cc1cccc(CNC(=O)C(=O)NC[C@H]2COCCO2)c1 340149205 OBPSWJBPEOUEAJ-ZDUSSCGKSA-N 303.318 -0.294 30 20 DBED C=C(C)CN(CC)C(=O)CN1C(=O)N(CC(N)=O)C(C)(C)C1=O 345441064 HSWLDZDVDOAKNK-UHFFFAOYSA-N 324.381 -0.061 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@H](C)O[C@H](CC)C2)C1=O 347841112 WTHSJJDPDYPQSF-WDEREUQCSA-N 323.349 -0.011 30 20 DBED CCOC(=O)c1cnn(CCN2CCCS2(=O)=O)c1C#N 353413287 PFILCOXSQDMYNW-UHFFFAOYSA-N 312.351 -0.033 30 20 DBED C=CCNC(=O)NC(=O)Cn1c(-c2ccccn2)noc1=O 355386985 QGQWTUAEWZOBHI-UHFFFAOYSA-N 303.278 -0.090 30 20 DBED CNC(=O)CN1CCN(C(=O)CNc2cccc(C#N)c2)CC1 355568426 OVWQBQSXAIGVKJ-UHFFFAOYSA-N 315.377 -0.140 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCNC(=O)C[C@H]1C 376569929 IGVKANZXLSQRKQ-WDEREUQCSA-N 302.400 -0.077 30 20 DBED C=CCNC(=O)CNc1ccc(S(N)(=O)=O)cc1C(=O)O 393838249 RJBGRTKSNUUENQ-UHFFFAOYSA-N 313.335 -0.254 30 20 DBED C=C(CC)CNC(=O)C(=O)N1CCC[C@H](N2CCNCC2=O)C1 418883865 DJPOZCMKLSPJJQ-ZDUSSCGKSA-N 322.409 -0.508 30 20 DBED C=CCC[C@H](CO)NC(=O)c1cn([C@@H]2COC[C@H]2OC)nn1 424518862 MHLMAFOQICSSGG-RAIGVLPGSA-N 310.354 -0.079 30 20 DBED C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCc1nccc(OC)n1 425900419 QNBSVQMWEWPBBA-QWRGUYRKSA-N 320.349 -0.191 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ncncc2OC)C1=O 581167097 SYMYIEXWRBMFAI-UHFFFAOYSA-N 319.277 -0.600 30 20 DBED COC(=O)[C@H]1C[C@H](O)CN(S(=O)(=O)CCCCC#N)C1 592120153 YHAROLLDIFYTCA-QWRGUYRKSA-N 304.368 -0.134 30 20 DBED C=CC(C)(C)CCNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 599957834 LRZRLYLREHTARM-NEPJUHHUSA-N 322.409 -0.525 30 20 DBED C=CCC[C@@H](NC(=O)CN1CC(=O)N(C)C1=O)C(=O)OCC 599996758 OEJPHSULKVQJBK-SNVBAGLBSA-N 311.338 -0.106 30 20 DBED Cn1nnc2c1CC[C@H](NC(=O)N1CCN(CCC#N)CC1)C2 601618854 DDURYWAKXHFGIX-LBPRGKRZSA-N 317.397 -0.087 30 20 DBED N#CCCN1CCN(C(=O)C(=O)NC[C@H]2CCCOC2)CC1 602236388 TYJXLPJHWHSRCE-CYBMUJFWSA-N 308.382 -0.413 30 20 DBED CC(C)[C@H](C#N)N1CCN(C(=O)CN2C[C@@H]3CNC[C@H]3C2)CC1 611371252 SEXLUDFPNMIUGI-JYJNAYRXSA-N 319.453 -0.170 30 20 DBED C=C[C@H](O)C(=O)NC[C@H](NS(=O)(=O)N(C)C)C1CCCC1 616206567 NTOMVJAFBHJWKJ-RYUDHWBXSA-N 319.427 -0.396 30 20 DBED C=C(CNC(=O)[C@@H]1CCCN1C)CNC(=O)[C@@H]1CCCN1C 620747495 AXPDIZMKLYTVNV-KBPBESRZSA-N 308.426 -0.037 30 20 DBED C=CCn1cc(C(=O)N2CCC[C@H]2CS(=O)(=O)NC)nn1 648814335 YREQTAXAWVVPFZ-JTQLQIEISA-N 313.383 -0.382 30 20 DBED CC#CC[C@H](CO)NC(=O)c1ccc2c(c1)NC(=O)CNC2=O 649181214 VXNGSJYNHZBKKR-LLVKDONJSA-N 315.329 -0.127 30 20 DBED C#C[C@H](N[C@H](C)C(=O)N1CCC[C@H](C(N)=O)C1)[C@H]1CCCO1 775797102 ALESWDOCZSFQPB-ZOBORPQBSA-N 307.394 -0.131 30 20 DBED C#CCCN1CCC(NC(=O)CN2CCN(C)C(=O)C2)CC1 780777417 VFZKGPNSTLVEOD-UHFFFAOYSA-N 306.410 -0.636 30 20 DBED C#CCC[C@@H](O)CNC(=O)c1ccc(CS(N)(=O)=O)cc1 799074002 YESRFFPGPSHBHT-CYBMUJFWSA-N 310.375 -0.021 30 20 DBED C#CCNC(=O)CN1CCN(Cc2cnc(Cl)cn2)CC1 799121438 ZPRIUVAVGBXUPR-UHFFFAOYSA-N 307.785 -0.003 30 20 DBED C=CCNC(=O)NC(=O)CNC1(CO)COC(C)(C)OC1 812837005 ISZTZNZCQFUIRK-UHFFFAOYSA-N 301.343 -0.898 30 20 DBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCO[C@@H]2C[C@H]21 816898168 UWCRQIWTIMZZEJ-GHMZBOCLSA-N 321.358 -0.275 30 20 DBED O=C1C[C@H](C(F)(F)F)[C@H](C(=O)N[C@H]2CCCN(O)C2=O)CN1 823160596 HRTFHHAFHVGAGE-CSMHCCOUSA-N 323.271 -0.203 30 20 DBED C#CC[C@@H](CO)NC(=O)c1ccc(S(N)(=O)=O)cc1F 854543682 FBBQEVJFGBLNMX-QMMMGPOBSA-N 300.311 -0.413 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N1CC[C@@H](C)[C@H](CO)C1 857096468 OCTCJNFIHOSLGQ-KGLIPLIRSA-N 310.394 -0.038 30 20 DBED N#CCCN1CCN(C(=O)C(=O)NC[C@H]2CCCNC2)CC1 884681405 VALUBVVWWHZDRM-ZDUSSCGKSA-N 307.398 -0.840 30 20 DBED C=CCCOCC(=O)N(CCN1CCOCC1)CC(=O)O 911364901 JEIFQLUAHFBFKB-UHFFFAOYSA-N 300.355 -0.176 30 20 DBED N#Cc1cccnc1NCCNC(=O)Cn1cnc([N+](=O)[O-])n1 918576950 FGEOSBAICDTXJJ-UHFFFAOYSA-N 316.281 -0.319 30 20 DBED C#CC[C@H](CO)NC(=O)N[C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O 920901845 QXUWIKMFJGMKOK-WZRBSPASSA-N 319.365 -0.403 30 20 DBED Cc1cc(N2CC[C@@H](NC(=O)NCC#CCO)C2=O)n(C)n1 923780032 YIDOODZABPNHLZ-LLVKDONJSA-N 305.338 -0.871 30 20 DBED Cc1c(C(=O)N(C)[C@H]2CCN(C(=O)[C@H](C)C#N)C2)nnn1C 939396552 JXVGXCBLNURUFC-KOLCDFICSA-N 304.354 -0.044 30 20 DBED O=C(C#CC1CC1)N1CCCN(C(=O)Cc2nc[nH]n2)CC1 941001027 KGEDSFKNSYKFIO-UHFFFAOYSA-N 301.350 -0.179 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)c3cnnn3C)C2)nc1 941874665 IYZFPUHYEPYWPA-GFCCVEGCSA-N 324.344 -0.164 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)[C@@H](C)C1 945182864 QOUPKCUPADPOLO-NWDGAFQWSA-N 320.397 -0.220 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(Cc2nc(O)n[nH]2)CC1 950593489 DCBRUNGKTWUQRH-MNOVXSKESA-N 307.354 -0.254 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2CCN2C(=O)c2nnn(C)n2)cc1 951442164 NSPUVCROPRPTPW-CYBMUJFWSA-N 324.344 -0.164 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cn3c(n2)CCCC3)C1 958117790 WGKOVCWNDAICOR-GXTWGEPZSA-N 302.378 -0.125 30 20 DBED C=CCCn1cc(C(=O)NC[C@@H]2CN(CCCO)C[C@H]2O)nn1 958466776 ARPWPGZCUFZLSA-TZMCWYRMSA-N 323.397 -0.741 30 20 DBED CC#CCN1C[C@@H](O)[C@@H](CNC(=O)c2ccc(OC)nn2)C1 958571578 ZTFGQIUYSNXXHO-WCQYABFASA-N 304.350 -0.469 30 20 DBED C=CCN1C[C@@H](O)[C@@H](CNC(=O)c2ccc(N(C)C)nn2)C1 958597815 GFWTVFOZDZPEKR-WCQYABFASA-N 305.382 -0.249 30 20 DBED N#Cc1ccc(C(=O)N2C[C@H](O)[C@H](NC(=O)c3cn[nH]c3)C2)[nH]1 961701975 RNZCDARWQPKRLI-NEPJUHHUSA-N 314.305 -0.775 30 20 DBED C#CCN1CCC(C(=O)N[C@H]2[C@@H]3CN([C@@H](C)C(N)=O)C[C@@H]32)CC1 962777416 OLJJGUCYNQBBMI-SPWCGHHHSA-N 318.421 -0.748 30 20 DBED NC(=O)CC(=O)N1CC[C@H]2[C@H]1CCCN2C(=O)C#CC1CC1 963060077 UGIXUTKAMXHCNX-OLZOCXBDSA-N 303.362 -0.133 30 20 DBED COCC(=O)N1CCN(C2CN(C(=O)C#CC3CC3)C2)CC1 967176009 HMIJCTJAFFGQQZ-UHFFFAOYSA-N 305.378 -0.599 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C2CN(C(=O)c3cnon3)C2)CC1 967245850 VSYDKFCMIKZCIJ-JTQLQIEISA-N 318.337 -0.802 30 20 DBED C[C@@H]1CCN(CC#N)C[C@@H]1NC(=O)CN1CC(=O)N(C)C1=O 968541078 YBJHGSYZTKJECQ-MNOVXSKESA-N 307.354 -0.769 30 20 DBED C[C@H]1CCN(CC#N)C[C@H]1NC(=O)c1nccnc1C(N)=O 968627938 QBQXWZSRFUAPTF-VHSXEESVSA-N 302.338 -0.461 30 20 DBED COCc1nocc1C(=O)N[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1O 968937756 PNXNJHQKOLCVID-UISBYWKRSA-N 322.321 -0.718 30 20 DBED C[C@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)[C@@H]1CN(C)C(=O)N1)C2 969811647 OLLGFUYITGZUQR-RHYQMDGZSA-N 319.365 -0.629 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1nc[nH]n1 970067568 NJKMKHOLQJMZDJ-MXWKQRLJSA-N 302.338 -0.291 30 20 DBED C=C(Cl)CN[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 970665793 YVVOBILDBBVQSO-SECBINFHSA-N 300.746 -0.519 30 20 DBED C#CCN1C[C@H](NC(=O)CN2CC(=O)N(C)C2=O)C(C)(C)C1 977473462 XINHNLIBUQKXBN-NSHDSACASA-N 306.366 -0.660 30 20 DBED COc1cc(OC)nc(C(=O)NCC2[C@@H]3CN(CC#N)C[C@@H]23)n1 978368387 NMHLXBHUPZYCEZ-QWRGUYRKSA-N 317.349 -0.075 30 20 DBED C#CCCN1C[C@H]2[C@H](CNC(=O)[C@@H]3CCS(=O)(=O)C3)[C@H]2C1 978429517 ZYHYYGVDUVALMR-SYQHCUMBSA-N 310.419 -0.262 30 20 DBED C=CCn1cc(C(=O)N2CCC[C@@H](N[C@H]3CCNC3=O)C2)nn1 1000401414 CYHBMKNPNVQONY-NEPJUHHUSA-N 318.381 -0.453 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H]2CCN(CCN3CCNC3=O)C2)c1 1010467523 DKZVWGOKIXDJHZ-LBPRGKRZSA-N 316.365 -0.284 30 20 DBED C[C@H](C(=O)N1CCN(C(=O)C#CC2CC2)CC1)n1cncn1 1011023945 ZWXZIRHHWSRBKI-GFCCVEGCSA-N 301.350 -0.077 30 20 DBED C=CCN1CC[C@@H](NC(=O)Cn2nc3ccccn3c2=O)C1 1015451729 IOSMJDJUNQRYOQ-GFCCVEGCSA-N 301.350 -0.128 30 20 DBED C=CCN1CC[C@H](N2CC[C@H](NC(=O)c3nonc3C)C2)C1=O 1016418531 YUHSQUHKFUCWST-RYUDHWBXSA-N 319.365 -0.031 30 20 DBED C#CCN1CCC2(CC1)C[C@@H]2NC(=O)[C@H]1CCS(=O)(=O)N1 1016979058 MXJAPQPGPJMKNC-NEPJUHHUSA-N 311.407 -0.718 30 20 DBED COCCN1C[C@@H](C(=O)N2[C@H]3CC[C@H]2CN(CC#N)C3)CC1=O 1017597935 ZVLYILZTLCDNAI-IHRRRGAJSA-N 320.393 -0.320 30 20 DBED C=CCN1CC[C@H](N2[C@H]3CC[C@H]2CC(NC(=O)C(N)=O)C3)C1=O 1021366202 RQTRDSYUBORUIM-AVGNSLFASA-N 320.393 -0.630 30 20 DBED C=C(C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2nnn(C)n2)C1 1025132171 CGTSDERGTJCZBP-NXEZZACHSA-N 322.369 -0.886 30 20 DBED C=C1CC(C)(C(=O)N2C[C@@H](O)[C@H](NC(=O)Cc3ncc[nH]3)C2)C1 1025304196 NUWJXMMWWRNNPK-VXGBXAGGSA-N 318.377 -0.004 30 20 DBED C=CCN[C@@H]1CC[C@@H]2CN(C(=O)CN3CC(=O)NC3=O)C[C@H]21 1026378690 YBHVFEVDNATYGT-IJLUTSLNSA-N 306.366 -0.449 30 20 DBED CN(CC#N)[C@H]1CCCN(C(=O)c2cc(=O)n3[nH]cnc3n2)C1 1027647655 JOENPXIOZFVEHA-JTQLQIEISA-N 315.337 -0.522 30 20 DBED CC#CCN1[C@H]2CC[C@H]1CN(C(=O)CCn1ncn(C)c1=O)C2 1029404475 HCDRGLJYMBVJBZ-KBPBESRZSA-N 317.393 -0.330 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)c3cnc(C)cn3)C2)C1=O 1030070133 RWXDCGZAIAUUPW-AWEZNQCLSA-N 315.377 -0.014 30 20 DBED N#Cc1ccc(C(=O)NCC2CN(CC(=O)N3CCC3)C2)[nH]1 1031619151 LTXQWCNAKBOFJF-UHFFFAOYSA-N 301.350 -0.220 30 20 DBED C#CCCN1CC(CNC(=O)C2CC3(C2)CS(=O)(=O)C3)C1 1031769104 YHCGOUPCENKEMK-UHFFFAOYSA-N 310.419 -0.118 30 20 DBED O=C1CC[C@@H](N2C[C@@H]3C[C@H]2CN3C(=O)C#CC2CC2)C(=O)N1 1032397301 SKNTVQOYRWWQHV-RWMBFGLXSA-N 301.346 -0.510 30 20 DBED C#CCN1CC[C@@H](N(C)C(=O)[C@@H]2CCc3nnnn3CC2)C1 1033436380 IIJIYMWCMUZGIA-CHWSQXEVSA-N 302.382 -0.209 30 20 DBED CC#CCN1CC[C@@H](N(C)C(=O)CN2CC(=O)N(C)C2=O)C1 1033578117 UDJNINUKRWLBRX-GFCCVEGCSA-N 306.366 -0.564 30 20 DBED N#CCN1CCCC[C@@H](NC(=O)CN2CCC(=O)NC2=O)C1 1034474851 SHYHOMXWQKJGFE-LLVKDONJSA-N 307.354 -0.577 30 20 DBED C=CCN1CCO[C@H](CNC(=O)c2ccc3nn[nH]c3n2)C1 1035390426 FFNVKEWXQXKCKX-SNVBAGLBSA-N 302.338 -0.031 30 20 DBED N#CCN1CC2(CCN(C(=O)C[C@H]3CC(=O)NC3=O)CC2)C1 1035863054 VFUJNFZPJYSERS-LLVKDONJSA-N 304.350 -0.513 30 20 DBED C=CCN1CC[C@H]2CN(C(=O)CN3CCOCC3=O)CC[C@@H]21 1036738515 IWDORERGHAOKMU-KBPBESRZSA-N 307.394 -0.046 30 20 DBED CC[C@@H]1CN(C(=O)CN2CCOCC2=O)CC[C@@H]1NCC#N 1037858553 ITTCTTSNHVEJPX-OLZOCXBDSA-N 308.382 -0.415 30 20 DBED N#Cc1ccc(CN2CC[C@H]2CNC(=O)[C@H]2CNC(=O)N2)cc1 1038655203 VEJWLOXXGOQQMQ-UONOGXRCSA-N 313.361 -0.070 30 20 DBED CC#CCN1CC[C@H]1CNC(=O)[C@@H]1CCc2nnnn2CC1 1038718780 FYGAHNCJAVAIGS-OLZOCXBDSA-N 302.382 -0.161 30 20 DBED C=CCCCC(=O)N1CC[C@@](O)(CNC(=O)Cn2ncnn2)C1 1039800317 ITJXGVPBGLZTIS-CQSZACIVSA-N 322.369 -0.891 30 20 DBED N#Cc1cnc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCCO3)C2)cn1 1040925620 ODEZXXSLCLHVKN-UTUOFQBUSA-N 303.322 -0.807 30 20 DBED Cn1nccc1C(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1O 1040944672 NPSBRNNSLUGIBH-DGCLKSJQSA-N 312.333 -0.334 30 20 DBED CC#CCN1CC[C@@]2(CCN(C(=O)Cn3ncn(C)c3=O)C2)C1 1041420428 CGJLCVYPXPHXQM-MRXNPFEDSA-N 317.393 -0.471 30 20 DBED COCCCC(=O)NCC1(O)CN(C(=O)c2ccc(C#N)[nH]2)C1 1041673042 MZDINAOPHBIAEU-UHFFFAOYSA-N 320.349 -0.384 30 20 DBED CC[C@H](C)OCC(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042958936 PKSUPIYYCOFPTP-LBPRGKRZSA-N 308.378 -0.096 30 20 DBED N#Cc1cccnc1N1C[C@H](O)[C@H](NC(=O)C2=COCCO2)C1 1043837773 VQOADYOEHIGHCM-NEPJUHHUSA-N 316.317 -0.493 30 20 DBED N#Cc1cnc(N2C[C@H](O)[C@H](NC(=O)c3ccsn3)C2)cn1 1044258564 OAAMCDWJSUSKNX-MNOVXSKESA-N 316.346 -0.216 30 20 DBED C=C(Cl)CN1CC(N(C)C(=O)c2cn(C)c(=O)nc2O)C1 1044290353 ORMGAXLKPLYCTP-UHFFFAOYSA-N 312.757 -0.005 30 20 DBED CC(C)N1C(=O)CC[C@H]1C(=O)N(C)[C@H]1CN(CC#N)C[C@@H]1O 1047499487 LSJXBZDXZNGIAD-AVGNSLFASA-N 308.382 -0.587 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C2CCC2)C1 1047983693 FRIFMHVHUJZOGU-UBHSHLNASA-N 308.378 -0.145 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)COC)C1 1048045349 CRVAETOLJRLQAF-VOAKCMCISA-N 312.366 -0.746 30 20 DBED N#CCN1C[C@H]2CN(C(=O)c3ccc(S(N)(=O)=O)o3)C[C@H]2C1 1048919408 YGFDXSFFUPNNDH-AOOOYVTPSA-N 324.362 -0.546 30 20 DBED C=C[C@@](C)(O)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cc[nH]c2)C1 1048957235 HVYBTDPZMAEOCZ-HEHGZKQESA-N 321.377 -0.015 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)c3cnc(N(C)C)cn3)CO2)C1 1053801526 PVIQGRSGWXWZGE-LBPRGKRZSA-N 315.377 -0.251 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)Cn3cc(C4CC4)nn3)CO2)C1 1053827119 RXIUESVSTMQKQT-ZDUSSCGKSA-N 315.377 -0.252 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)c3cc(=O)c(OC)c[nH]3)CO2)C1 1053872019 QSXBKVIWFYPAGP-LLVKDONJSA-N 317.345 -0.410 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)Cc3cn(CC)nn3)CO2)C1 1053879573 UNLAADLXTRTNLI-AWEZNQCLSA-N 317.393 -0.177 30 20 DBED C#CCN1CCC(C(=O)N[C@@H]2COC3(C2)CN(CCO)C3)CC1 1054016295 YZJDNRAZPZFOGI-HNNXBMFYSA-N 321.421 -0.717 30 20 DBED CCOc1cnc(C(=O)N[C@@H]2COC3(C2)CN(CC#N)C3)cn1 1054025306 VXYBZIPWVSPBEB-NSHDSACASA-N 317.349 -0.028 30 20 DBED Cc1c[nH]c(C(=O)N2CCC[C@](CO)(NC(=O)[C@H](C)C#N)C2)n1 1056097943 XOLQSINHEWYCFK-BMIGLBTASA-N 319.365 -0.039 30 20 DBED N#Cc1nccnc1N1C[C@H]2C(NC(=O)[C@@H]3[C@H]4COC[C@H]43)[C@@H]2C1 1056365199 IWZMJUPSXRMTDG-YFVNTRNASA-N 311.345 -0.209 30 20 DBED CN(c1cncc(C#N)n1)[C@@H]1CCN(C(=O)Cn2cnnn2)C1 1056849557 IVQSIRQGKHIHPN-LLVKDONJSA-N 313.325 -0.928 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)Cc1nnc(C)o1 1057495958 YDSOWWXWADSAMX-UHFFFAOYSA-N 310.354 -0.176 30 20 DBED O=C(NCCN(CCO)C(=O)C#CC1CC1)[C@@H]1C[C@H]2C=C[C@H]1O2 1057535918 HXNGWIQJZYIVEM-RBSFLKMASA-N 318.373 -0.320 30 20 DBED N#Cc1nccnc1N[C@@H]1CCCN(C(=O)Cn2cnnn2)C1 1057585737 IJFWZJHLJUKGBD-SNVBAGLBSA-N 313.325 -0.562 30 20 DBED COc1ccc(C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N)cn1 1058079682 YZGNRUDXDUSGEP-NSHDSACASA-N 320.349 -0.199 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)C1(C)CCOCC1 1058099322 ZEQYIFUAYCNUQG-LBPRGKRZSA-N 311.382 -0.100 30 20 DBED N#Cc1nccnc1N1CCC[C@H](NC(=O)Cn2nccn2)C1 1058200204 WRJADQHODVIVDW-NSHDSACASA-N 312.337 -0.275 30 20 DBED N#Cc1cnc(N2CC[C@@H](NC(=O)c3ccc(O)nn3)C2)cn1 1058276732 PAIMJAPDADUCLY-SECBINFHSA-N 311.305 -0.147 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)C(C)(C)c1cnc[nH]1 1058655425 YJWYAZWNIQESDD-LLVKDONJSA-N 321.381 -0.216 30 20 DBED Cc1cc(C#N)nc(N[C@H]2C[C@@H](NC(=O)[C@H]3CCC(=O)N3)C2)n1 1059586647 VCTNJVLKPAYLEM-JFGNBEQYSA-N 314.349 -0.006 30 20 DBED C#CCCCC(=O)NC[C@@H]1COCCN1C(=O)Cn1cncn1 1061540093 GKWHGIZMDLXKJF-CYBMUJFWSA-N 319.365 -0.575 30 20 DBED Cc1nc(CC(=O)NC[C@H]2COCCN2C(=O)[C@@H](C)C#N)n[nH]1 1061575656 WGVUKMSJFTYRIT-ONGXEEELSA-N 320.353 -0.841 30 20 DBED Cn1nnc(C(=O)NC[C@H]2CCN(c3ccc(C#N)nn3)C2)n1 1061705576 GFSACTRIHVAMEY-SECBINFHSA-N 313.325 -0.872 30 20 DBED Cc1cc(C(=O)N2CCOC[C@H]2CNC(=O)[C@@H](C)C#N)ncn1 1061845991 AGJFORVWKHJQJW-CMPLNLGQSA-N 317.349 -0.098 30 20 DBED N#Cc1cnc(N2C[C@@H]3C[C@H]2CN3C(=O)CCn2ccnn2)cn1 1062480176 HSALYRQDOVNYDH-STQMWFEESA-N 324.348 -0.180 30 20 DBED CC(C)C#CC(=O)NCC1(NC(=O)[C@H]2CN(C)C(=O)N2)CCC1 1062964605 GIIKGKOEALYDAV-GFCCVEGCSA-N 320.393 -0.176 30 20 DBED CCNC(=O)CC(=O)N1CCO[C@H](CNC(=O)C#CC2CC2)C1 1065067624 NOSREQOCXNLDAL-CYBMUJFWSA-N 321.377 -0.730 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CN(C(=O)CC2(O)CCC2)CCO1 1065124311 MJNJGPLTEAHVHP-NWDGAFQWSA-N 309.366 -0.205 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)[C@@H]2CCC(=O)N2C)CCO1 1065473461 MMINEELVYAPBKI-STQMWFEESA-N 323.393 -0.083 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)CCO1 1065627447 VHRUOEAVIVIRMY-XQQFMLRXSA-N 321.377 -0.745 30 20 DBED C[C@H](C#N)C(=O)N(C)CCCN(C)C(=O)[C@H]1CCC(=O)NC1 1067748869 GTNPTGGUJHPPIZ-NEPJUHHUSA-N 308.382 -0.021 30 20 DBED C=CCOCC(=O)N[C@H]1COC2(C1)CN(C(=O)[C@H]1CCOC1)C2 1068764423 QJDMUOCJRGMFGE-QWHCGFSZSA-N 324.377 -0.288 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1COC2(C1)CN(C(=O)C(C)(C)C(N)=O)C2 1069009430 ZRWOTNYFZKVSOR-VHSXEESVSA-N 322.365 -0.856 30 20 DBED C=C[C@@](C)(CC)C(=O)N[C@H]1COC2(C1)CN(C(=O)CC(N)=O)C2 1069016559 BIAVEIAJAMHHBE-ABAIWWIYSA-N 323.393 -0.050 30 20 DBED C#CCN[C@@H]1CN(C(=O)C2CCC(O)CC2)C[C@@H]1n1ccnn1 1070185211 JMEAXBAYUZVSTP-CVSAEHQPSA-N 317.393 -0.196 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2[nH]nnc2C)C[C@H]1c1cncn1C 1070675800 WBFJVAJEWAAXFI-VXGBXAGGSA-N 313.365 -0.322 30 20 DBED Cn1nncc1C(=O)N1CCC[C@@H](NC(=O)CSCC#N)C1 1070680122 DJWMMHQTSNMXSN-SNVBAGLBSA-N 322.394 -0.207 30 20 DBED N#CCN1C[C@H]2C[C@@H]3CN(C(=O)[C@H]4CCCC(=O)N4)C[C@@]3(C1)O2 1070814763 IYEVBHIXURASIR-BRXULGCHSA-N 318.377 -0.520 30 20 DBED CC#CCN1CC[C@@]2(C1)CN(C(=O)Cn1cnnn1)C[C@@H](C)O2 1071134473 SGSFPTHAGZIUJZ-UKRRQHHQSA-N 318.381 -0.612 30 20 DBED C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1NC(=O)CC(N)=O 1071926522 ZHKTYOAZZWIVAO-LDYMZIIASA-N 303.322 -0.662 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)CCc2cnn[nH]2)C[C@H]1C 1072764366 MUVFXPOIQKARNT-DGCLKSJQSA-N 321.381 -0.097 30 20 DBED C=C(C)CN1CCCO[C@H](CNC(=O)C2CC(=O)NC(=O)C2)C1 1073818212 CGKLLNPAFKAXDP-CYBMUJFWSA-N 323.393 -0.178 30 20 DBED C[C@@H](CCNC(=O)c1ccc(C#N)[nH]1)NC(=O)CCNC(N)=O 1076182974 GYZWSPZQUDZROJ-VIFPVBQESA-N 320.353 -0.431 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)[C@H]1CC[C@@H](C)O1 1076217899 MYPRAMWFJSMQDD-YNEHKIRRSA-N 323.393 -0.296 30 20 DBED CN1CCc2ccc(C(=O)N[C@@H]3CN(CC#N)C[C@H]3O)cc21 1078104675 QQGZYSZHSQOYCA-UKRRQHHQSA-N 300.362 -0.023 30 20 DBED CCN(C(=O)C(=O)NCC(F)F)C1CN(C(=O)[C@H](C)C#N)C1 1080043113 PSQVNESUTWYDSA-MRVPVSSYSA-N 316.308 -0.413 30 20 DBED C=CCCn1cc(C(=O)N2CC(N(CC)C(=O)C(N)=O)C2)nn1 1080406786 ALZVWPOAMDSICZ-UHFFFAOYSA-N 320.353 -0.988 30 20 DBED C=CCOCC(=O)N1CCC2(CC1)CCN(C(=O)C(N)=O)CC2 1080638018 MYPBXEWQFDDOFX-UHFFFAOYSA-N 323.393 -0.095 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CO)(NC(=O)c2nc[nH]n2)CC1 1080941789 UGKWOGJNEIXYAT-SECBINFHSA-N 306.326 -0.952 30 20 DBED C#CCC1(C(=O)N2C[C@H](CNC(=O)COC)[C@@H](O)C2)CCC1 1081185490 CMKZJCYUOCUOCL-STQMWFEESA-N 308.378 -0.238 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2ccnn2C)C1 1081321152 MCCSTINBJOUZHX-DGCLKSJQSA-N 306.366 -0.065 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)Cc2cnn(C)c2)C1 1081333392 SKGPIQSDUVAYIW-ZIAGYGMSSA-N 320.393 -0.136 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)Cc2nnc(C)o2)C[C@H]1O 1081335474 LSGADPOVBQMJHM-VXGBXAGGSA-N 322.365 -0.178 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H]2CN(Cc3cnn(C)c3)C[C@@H]21 1083026004 KQTGUPWCSPXNNZ-FPMFFAJLSA-N 303.366 -0.009 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCc3nn[nH]c3C2)C1 1083949815 OMUGFIXUXXSWPZ-HONMWMINSA-N 303.366 -0.906 30 20 DBED CCO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1CNCc1cn(C)nn1 1087035465 BGSDLRMNUULUHB-OUCADQQQSA-N 320.397 -0.072 30 20 DBED CCN(c1cncc(C#N)n1)[C@H](C)CNC(=O)Cn1ncnn1 1089698604 UPELGOBDOMZVIK-SNVBAGLBSA-N 315.341 -0.634 30 20 DBED N#CCN1C[C@H](NC(=O)[C@H]2COCCO2)CC2(CCOCC2)C1 1089927792 UGINXAYRQQZSOI-ZIAGYGMSSA-N 323.393 -0.087 30 20 DBED C=C(Cl)CN1CC[C@@H](NC(=O)c2cnn(C)c2N)[C@@H](O)C1 1090216438 MZPBMUNPPVBYLN-MNOVXSKESA-N 313.789 -0.080 30 20 DBED CC(=O)NCC(=O)N1CC[C@H]2CN(c3cnc(C#N)cn3)C[C@H]21 1090284393 XINCDJHETPNULV-WCQYABFASA-N 314.349 -0.479 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(c2cc(C)nc(C)n2)C[C@H]1O 1090391726 KEIMAJVVHNLGCB-CHWSQXEVSA-N 306.366 -0.038 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2coc(C(N)=O)c2)[C@@H](O)C1 1090449602 RGPHENIISVIEPV-NEPJUHHUSA-N 305.334 -0.433 30 20 DBED COCC[C@H](C)C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@@H]1O 1091108436 DOFJLSVQSBBTBF-UHTWSYAYSA-N 319.365 -0.313 30 20 DBED CS(=O)(=O)CC(=O)NC[C@H]1C[C@H](Nc2ccc(C#N)nn2)C1 1091428483 FMKKSKDCSZYALD-HOMQSWHASA-N 323.378 -0.300 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CN(CCS(C)(=O)=O)C[C@@]2(C)C1 1091546910 BAESJXCVHVCHTC-SCRDCRAPSA-N 313.423 -0.029 30 20 DBED Cc1nsc(N2CCO[C@](C)(CNC(=O)C(N)=O)C2)c1C#N 1092775172 QNYAUOWQZICSCW-CYBMUJFWSA-N 323.378 -0.480 30 20 DBED C[C@@]1(C(=O)N2CCC(OC3CN(CC#N)C3)CC2)CNC(=O)C1 1093555866 LOQYNJSNKTWBII-INIZCTEOSA-N 320.393 -0.272 30 20 DBED C[C@@H](OC[C@@H]1CCCO1)C(=O)NCCN=c1cc[nH]c(C#N)n1 1093692911 JXLZNUOFAJEKJD-NEPJUHHUSA-N 319.365 -0.118 30 20 DBED N#Cc1ccc(NCCNC(=O)[C@@H]2CCCCC(=O)N2)nn1 1094113635 YJRVYYINZFFNFW-NSHDSACASA-N 302.338 -0.065 30 20 DBED C#CCN1CC(n2cc(CNC(=O)[C@H]3CCCC(=O)N3)nn2)C1 1094298588 SGPVLTHZNQMSME-CYBMUJFWSA-N 316.365 -0.947 30 20 DBED C#CCCN1CC(N2C[C@@H](NC(=O)c3ccnn3C)CC2=O)C1 1094712045 SXSUEXDJZMYVEY-LBPRGKRZSA-N 315.377 -0.542 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)Cc3cccnc3)CC2=O)C1 1094728411 WWMJKFHEMSIHNS-AWEZNQCLSA-N 312.373 -0.341 30 20 DBED Cn1cnc(C(=O)NCCCNc2ccc(C#N)nn2)cc1=O 1094865622 RFFWNLKWRRYTDF-UHFFFAOYSA-N 313.321 -0.326 30 20 DBED CCN(CCCNC(=O)CNC(C)=O)c1ccc(C#N)nn1 1095817818 ZGWJMILOZFAOLP-UHFFFAOYSA-N 304.354 -0.183 30 20 DBED CNC(=O)CC(=O)NC[C@@H](Nc1nccnc1C#N)C1CC1 1096652202 UYCUDCQIZVULHX-LLVKDONJSA-N 302.338 -0.209 30 20 DBED CS(=O)(=O)CCC(=O)N[C@H]1C[C@H](Nc2ccc(C#N)nn2)C1 1097113454 UZZOOQSDTXJSKU-XYPYZODXSA-N 323.378 -0.158 30 20 DBED N#Cc1nccnc1N[C@H]1C[C@@H](NC(=O)CNC(=O)C2CC2)C1 1097155174 DUQWOUMRQLDQJQ-PHIMTYICSA-N 314.349 -0.066 30 20 DBED C[C@@H](CNC(=O)Cn1c(O)nnc1O)Nc1ccc(C#N)cn1 1097976715 OVSNUXGCYGXPDY-QMMMGPOBSA-N 317.309 -0.427 30 20 DBED C[C@H](CNC(=O)[C@H]1CC(=O)N(C)C1)Nc1cnc(C#N)cn1 1098346296 NNQVTBBEKSBETB-ZJUUUORDSA-N 302.338 -0.257 30 20 DBED C#CCCN(CCO)C1CCN(C(=O)[C@H]2CCCNC2=O)CC1 1098399816 UZJZJABYGPRGLE-HNNXBMFYSA-N 321.421 -0.179 30 20 DBED C#CCNCc1cn([C@H]2CCN(C(=O)[C@H]3CCN(C)C3)C2)nn1 1098780753 ZARHNEPWZDEMKE-ZFWWWQNUSA-N 316.409 -0.274 30 20 DBED Cc1cc(C#N)nc(N[C@H](C)CCNC(=O)CNC(N)=O)n1 1098781177 BNPRCMZXFTZNQG-MRVPVSSYSA-N 305.342 -0.368 30 20 DBED C=CCN[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)C[C@H]1C(F)(F)F 1099300256 WCEONCDGTPUXGM-IWSPIJDZSA-N 306.288 -0.167 30 20 DBED COCC#CCN1CC[C@H](NC(=O)COCC2CC2)[C@H](O)C1 1099701748 IXDBBHTYWYYJAT-LSDHHAIUSA-N 310.394 -0.386 30 20 DBED N#Cc1cc(C(=O)N[C@H]2CCN(CCOCCO)C[C@@H]2O)c[nH]1 1099783867 XUKZVFUYORXYFQ-KBPBESRZSA-N 322.365 -0.940 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)c2[nH]ccc2C)[C@H](O)C1 1099799760 RSOWBGSEVWBRMR-QWHCGFSZSA-N 320.393 -0.210 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CCCN(C)C(C)=O)[C@H](O)C1 1100092922 UTZXSZQJPAAYRY-HUUCEWRRSA-N 309.410 -0.180 30 20 DBED C#CCN1CC[C@@H](NC(=O)C(C)(C)NC(=O)NCCC)[C@@H](O)C1 1100126839 NSQMGZQAKMTQLE-OLZOCXBDSA-N 324.425 -0.341 30 20 DBED C=C(Cl)CN1CC[C@H](NC(=O)CS(=O)(=O)CC)[C@H](O)C1 1100127376 VJQZFJYILZJRAM-WDEREUQCSA-N 324.830 -0.275 30 20 DBED CN(CCNC(=O)c1cnc(O)n1C)c1ccc(C#N)nn1 1100270131 HETNXNURYSZJOD-UHFFFAOYSA-N 301.310 -0.346 30 20 DBED COCC#CCNC1CC(CNC(=O)c2c[nH]c(=O)cn2)C1 1100614236 JXTCGYZOVLOZNF-UHFFFAOYSA-N 304.350 -0.482 30 20 DBED CCN(CCNC(=O)Cn1nccn1)c1cncc(C#N)n1 1100626699 PHNPJUIHNCKDEB-UHFFFAOYSA-N 300.326 -0.418 30 20 DBED N#Cc1ccc(N2CCC[C@H]2CNC(=O)Cn2ncnn2)cn1 1100867885 IGUVRYWYDCMZQY-LBPRGKRZSA-N 312.337 -0.275 30 20 DBED CC(=O)N[C@H](C)C(=O)NC[C@H]1CCN(c2cncc(C#N)n2)C1 1100922058 SPERSUCWVQQMQP-ZYHUDNBSSA-N 316.365 -0.185 30 20 DBED C[C@H](CC(=O)N(C)CCNc1nccnc1C#N)NC(N)=O 1101785861 MILDVPGRDAOQNF-SECBINFHSA-N 305.342 -0.335 30 20 DBED C[C@H]1CC(=O)N[C@@H](C(=O)N(C)CCN=c2cc[nH]c(C#N)n2)C1 1102001889 DTAWHPFCNMXUMC-GHMZBOCLSA-N 316.365 -0.445 30 20 DBED CC[C@H](CNC(=O)Cn1cncn1)Nc1cnc(C#N)cn1 1103085739 GTUBOKDTVBVSLQ-SNVBAGLBSA-N 300.326 -0.053 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1CCNC(=O)CC[C@@H]1NC(=O)NC1=O 1103705893 QUZUJBFXJDXCAX-UTUOFQBUSA-N 321.381 -0.428 30 20 DBED Cc1cc(C#N)nc(NC[C@H](C)CNC(=O)Cn2ncnn2)n1 1104095390 SQKFZYNLGOJJDM-SECBINFHSA-N 315.341 -0.492 30 20 DBED CC#CCNCc1cn(C2CN(C(=O)C(C)(C)C(N)=O)C2)nn1 1105262302 UUKMIUNGFKICKI-UHFFFAOYSA-N 318.381 -0.714 30 20 DBED C#CCNCc1cn(C2CN(C(=O)c3cnc(C)n3C)C2)nn1 1105312475 NWPHHAXHPUPMBI-UHFFFAOYSA-N 313.365 -0.260 30 20 DBED N#Cc1cncc(NC[C@H](O)CNC(=O)CC2(O)CCC2)n1 1105809502 FIHATJDRVMOYQO-NSHDSACASA-N 305.338 -0.458 30 20 DBED Cc1cc(CC(=O)NC[C@H](O)CNc2nccnc2C#N)n[nH]1 1105816511 FMDLGHFTESUIFY-NSHDSACASA-N 315.337 -0.489 30 20 DBED Cc1nccc(C(=O)NC[C@@H](O)CNc2cncc(C#N)n2)n1 1105862151 RDPICBMPYQYKPV-NSHDSACASA-N 313.321 -0.351 30 20 DBED CCn1ccc(C(=O)NC[C@@H](O)CNc2nccnc2C#N)n1 1105983238 ZOMRPUYUUBMBKM-JTQLQIEISA-N 315.337 -0.233 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](C)[C@H](CN[C@H](C)COC)C1 1106034248 AOXXRYFFTXLHEI-MGPQQGTHSA-N 309.410 -0.155 30 20 DBED Cc1nonc1CC(=O)NC/C=C/CN=c1cc[nH]c(C#N)n1 1107314716 MZYIHAYXDHRVMZ-NSCUHMNNSA-N 313.321 -0.211 30 20 DBED C[C@@]1(CNC(=O)CCN2CCOCC2)CN(CC#N)CCO1 1108279984 LGOJAMZEGVMNSW-OAHLLOKOSA-N 310.398 -0.561 30 20 DBED CN1CCCC[C@H](C(=O)NC[C@@]2(C)CN(CC#N)CCO2)C1=O 1108338473 ISYXDBMZQLHRRT-CJNGLKHVSA-N 322.409 -0.024 30 20 DBED C[C@@H](CN(C)c1nccnc1C#N)NC(=O)CS(C)(=O)=O 1108837515 WCUNGEHFNFPUSJ-VIFPVBQESA-N 311.367 -0.666 30 20 DBED COCCOCC(=O)N[C@@H](C)CN(C)c1cncc(C#N)n1 1108882239 MRQZZFXCZWHADJ-NSHDSACASA-N 307.354 -0.048 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN1CCOCC1 1109162552 PEUGXTBXTAWXRO-PMPSAXMXSA-N 321.421 -0.310 30 20 DBED C#CCCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN(C)C(=O)COC 1109368349 PHRPKHPKIIDJQZ-RDBSUJKOSA-N 307.394 -0.164 30 20 DBED CCc1nc(C#N)cc(NCCN(CCO)C(=O)COC)n1 1111420116 JAHOMJWPUQCACC-UHFFFAOYSA-N 307.354 -0.210 30 20 DBED C=CCOCC(=O)N(CCO)CCNc1cc(C)nc(CO)n1 1111444844 AFYNCDZDLBOURJ-UHFFFAOYSA-N 324.381 -0.287 30 20 DBED CCS(=O)(=O)NCC(=O)N[C@]12CCC[C@H]1CN(CC#N)C2 1111767855 BLLDCYOVUUMJSU-AAEUAGOBSA-N 314.411 -0.580 30 20 DBED C[C@H](OCC1CC1)C(=O)N1CCN(CC(=O)NCC#N)CC1 1112671979 XUXNIZQYQDYBMI-LBPRGKRZSA-N 308.382 -0.415 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)[C@H]2CCC(=O)N2)CC1 1112696251 SWYJZLUJCHSJOL-NWDGAFQWSA-N 308.382 -0.900 30 20 DBED CC(C)(O)CC(=O)NC[C@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1112718311 UAYHCHZSDGFONB-QWRGUYRKSA-N 319.365 -0.577 30 20 DBED CC(C)C#CC(=O)N1CCN(CCNS(C)(=O)=O)CC1 1112834432 NRVUVOVYANJWSP-UHFFFAOYSA-N 301.412 -0.661 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)c2cnn3c2CCC3)CC1 1112934588 CNSBKKIKIQOMHA-UHFFFAOYSA-N 317.393 -0.111 30 20 DBED COCC#CCN1CCN(C(=O)[C@@H](CC(C)C)C(N)=O)CC1 1113741705 ARHBREDSCSNIPG-AWEZNQCLSA-N 309.410 -0.072 30 20 DBED Cn1ccc(C(=O)NC2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]23)c1 1114136199 DUGHXFVSIBBTOZ-VXGBXAGGSA-N 301.350 -0.675 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@@H]3CCCOCC3)[C@H]2C1 1114189373 NTZBLCDYCKGXPC-NYTXWWLZSA-N 319.405 -0.401 30 20 DBED C#CCOCCC(=O)NC1[C@@H]2CN(CCS(C)(=O)=O)C[C@@H]12 1114266269 NHNNPSMQWBVEIY-VXGBXAGGSA-N 314.407 -0.883 30 20 DBED C[C@H](NC(N)=O)C(=O)N[C@H]1C[C@H](CNc2cncc(C#N)n2)C1 1114768261 OEXVOVFHFXENRC-GUBZILKMSA-N 317.353 -0.288 30 20 DBED CC(=O)N[C@H](C)C(=O)N[C@@H](C)CCCN=c1cc[nH]c(C#N)n1 1114855368 XCVGYKFWGNSWFQ-WDEREUQCSA-N 318.381 -0.008 30 20 DBED CC#CCN1C[C@@H]2C(NC(=O)CCn3cnccc3=O)[C@H]2C1 1115043996 LKKGIMRXVVAJLY-STQMWFEESA-N 300.362 -0.297 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)c3cccn3CC)[C@@H]2C1 1115243318 MAYUVNKXBCCSIQ-CHWSQXEVSA-N 314.389 -0.083 30 20 DBED C=CCCOCC(=O)NC1[C@@H]2CN(Cc3nc(=O)n(C)[nH]3)C[C@@H]12 1115324114 LEAZYXXRUCJTJD-GHMZBOCLSA-N 321.381 -0.753 30 20 DBED C=CCCOCC(=O)N[C@H]1[C@@H]2CN([C@@H]3CCN(C)C3=O)C[C@@H]21 1115330784 TULAVAPVJXQBHJ-COMQUAJESA-N 307.394 -0.144 30 20 DBED C=CCN(C(=O)[C@@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 1115890368 HZDHMUWESCTBJH-MNOVXSKESA-N 321.420 -0.377 30 20 DBED C#CCNC(=O)CN1CCN(C[C@@H](O)c2ccccn2)CC1 1118495255 SCUZBCIZSRZRSU-OAHLLOKOSA-N 302.378 -0.518 30 20 DBED C[C@@H](CN(C)C(=O)[C@@H]1CN(C)C(=O)N1)Nc1ccc(C#N)nn1 1120406245 AXJMLGNISXYSTA-ONGXEEELSA-N 317.353 -0.369 30 20 DBED CC(=O)N[C@@H](C)C(=O)NC[C@@H](CO)Nc1nc(C)cc(C#N)n1 1121010050 JGMWBXNKIHVCEK-CABZTGNLSA-N 320.353 -0.930 30 20 DBED Cn1cccc1C(=O)NC[C@H](CO)Nc1ccc(C#N)nn1 1121068516 ZGXAODWEKQLFLW-LLVKDONJSA-N 300.322 -0.110 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](CO)Nc1cncc(C(=O)N(C)C)n1 1121214383 ZTUUHPIQSFXSEB-ZJUUUORDSA-N 320.353 -0.773 30 20 DBED N#Cc1cncc(N[C@H](CO)CNC(=O)[C@H]2CCCCO2)n1 1121454113 GRYCLGWRANHVDE-NWDGAFQWSA-N 305.338 -0.194 30 20 DBED Cc1nc(O)[nH]c1C(=O)NC[C@@H](CO)Nc1nccnc1C#N 1122213394 KGOCUOBCOIZKBQ-QMMMGPOBSA-N 317.309 -0.712 30 20 DBED Cc1cc(C(=O)NC[C@H](CO)N=c2cc[nH]c(C#N)n2)c(C)[nH]1 1122624052 XTYKXGFYTRTTFJ-LLVKDONJSA-N 314.349 -0.082 30 20 DBED CN(C[C@@H](O)CNc1ccc(C#N)nn1)C(=O)[C@H]1CCCO1 1124066215 STRAGLTVYUQSAW-NWDGAFQWSA-N 305.338 -0.242 30 20 DBED CN(C[C@@H](O)CNc1cnc(C#N)cn1)C(=O)[C@H]1CCOC1 1124139787 CENNKAMHBCZWJO-JQWIXIFHSA-N 305.338 -0.384 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]cc1C#N)C(=O)Cn1ccnc1 1124398982 HZKUPEQDJBYFTG-ZDUSSCGKSA-N 314.349 -0.497 30 20 DBED Cc1cc(C#N)nc(NC[C@H](O)CN(C)C(=O)CCN(C)C)n1 1124710105 XBXQAXLIAZYTKZ-ZDUSSCGKSA-N 320.397 -0.160 30 20 DBED COCC#CCNCCNC(=O)c1cn(CCOC)nc1C 1127212524 ZDLPZVYBKSHPLN-UHFFFAOYSA-N 308.382 -0.193 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1ccnn1CC(F)F 1127293272 RZYOXNVVPJRQTM-UHFFFAOYSA-N 314.296 -0.893 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)[C@@H]2CN3CCC2CC3)C1=O 1127481769 WREUQLAJAVIGOD-CABCVRRESA-N 320.437 -0.179 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)[C@H]1CC(=O)N(CC)C1 1128678553 AODVMDKHXKYRHP-RYUDHWBXSA-N 310.398 -0.749 30 20 DBED COCCCOCC(=O)N1C[C@H](n2ccnn2)[C@H](NCC#N)C1 1130077282 AAGMUEGDVDTDDC-OLZOCXBDSA-N 322.369 -0.804 30 20 DBED C#CCCN1CCOC[C@@H]1c1n[nH]c(CNC(=O)[C@H](C)OC)n1 1130831559 KCLFGZZMGRKDAI-NWDGAFQWSA-N 321.381 -0.148 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)c2ccnc(OC)n2)C1=O 1131188093 KANPLKAFPBVUDG-GFCCVEGCSA-N 319.365 -0.409 30 20 DBED Cn1nc(C(F)F)cc1C(=O)NCCNCC(=O)NCC#N 1131284962 SAQPBRWWSVOVOE-UHFFFAOYSA-N 314.296 -0.683 30 20 DBED C=CCCN1CCNC(=O)CCN(C(=O)[C@H](C)CC(N)=O)CC1 1131373960 GSZOXYMNRWXLEN-CYBMUJFWSA-N 324.425 -0.276 30 20 DBED C[C@@H]1CC[C@@H](NC(=O)c2cnn(C)n2)CN1CC(=O)NCC#N 1132345362 QBZVMMDQLIMALB-GHMZBOCLSA-N 319.369 -0.962 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2nc[nH]n2)CC[C@@H]1C 1132369056 TUCWWHGANKVJFL-QWRGUYRKSA-N 304.354 -0.863 30 20 DBED C=CCNC(=O)NC(=O)CN[C@H](C)C[C@@H](C)NC(=O)COC 1133460848 GELQNEZZEXWJOJ-GHMZBOCLSA-N 314.386 -0.483 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)[C@@H]1[C@H]2COC[C@H]21 1135230519 OLSWQUREPKSAEN-XOBFJNJYSA-N 307.394 -0.499 30 20 DBED C=CCCN[C@H](C)C[C@@H](C)NC(=O)CN1C(=O)C(=O)N(C)C1=O 1135593637 SLKDZWAZEYIEFD-GHMZBOCLSA-N 324.381 -0.144 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC2(CCN(C[C@@H](O)COC)C2)C1 1147445402 FRYVXJARRHRJBN-HIFRSBDPSA-N 312.410 -0.145 30 20 DBED C#CCO[C@H](C)C(=O)N1CC2(CCN(Cc3nnnn3C)C2)C1 1147531013 VIBJCHIMRXELKQ-GFCCVEGCSA-N 318.381 -0.717 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CCCN1C(C)=O 1148447595 ISBYZBZMNQHSDN-AAEUAGOBSA-N 310.398 -0.606 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)CCc1cncn1C 1149571203 UATKCIRIDMSNPU-LBPRGKRZSA-N 307.398 -0.251 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)[C@@H]1CC(=O)N(C)C1 1153688559 LPHMXMLQYZAMJA-CHWSQXEVSA-N 322.409 -0.959 30 20 DBED N#CCSCC(=O)NCCCNCC(=O)Nc1ccon1 1154819237 FVTATYAWQYHVRE-UHFFFAOYSA-N 311.367 -0.034 30 20 DBED C=CCNC(=O)CN(CC)[C@H](C)CNC(=O)Cc1nc[nH]n1 1156288695 GYFAXKYILLLFBC-LLVKDONJSA-N 308.386 -0.524 30 20 DBED C#CCN(C)C[C@H]1CCCCN1C(=O)Cn1c(O)nnc1O 1158806392 IQSMSOQKHWXOQQ-LLVKDONJSA-N 307.354 -0.365 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCCNCC(=O)NCC(C)C 1160209545 PTUWZTPZUXBTGR-HNNXBMFYSA-N 322.453 -0.048 30 20 DBED Cc1cc(CCC(=O)NCCCNCC(=O)NCC#N)no1 1166415911 QFKBMWDMCXYNKW-UHFFFAOYSA-N 307.354 -0.349 30 20 DBED C=C(C)CN(CC)C(=O)CNCCCNC(=O)[C@H]1C[C@H]1C(N)=O 1166805610 MQVLPJYGAPVCNT-OLZOCXBDSA-N 324.425 -0.372 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCCCNCc1cnon1 1170310617 KSDAHYCLCHOZMT-LBPRGKRZSA-N 321.381 -0.026 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)C(=O)N1CC[C@H](C)C1 1170651580 BVZCRYNIPMKOQB-QWHCGFSZSA-N 324.425 -0.359 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)Cc2cncn2C)C1=O 1171236772 BNUQTOJUJRHMJT-AWEZNQCLSA-N 319.409 -0.155 30 20 DBED C#Cc1ccc(C(=O)NCCCN[C@@H]2CCC(=O)NC2=O)nc1 1171585494 WXFNYJSIDBXLDP-CYBMUJFWSA-N 314.345 -0.422 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)CNC(=O)C1CCC1 1176916846 VWTYEIXBFFXBRC-LBPRGKRZSA-N 322.409 -0.864 30 20 DBED C=CCNC(=O)CNCCCNC(=O)COCCOCC 1177034376 VXZJJBHJDIKSSB-UHFFFAOYSA-N 301.387 -0.562 30 20 DBED N#CCN1CCO[C@H]2CCN(C(=O)C(=O)NCC(F)F)C[C@@H]21 1177041249 GZHPNVUMZKMUIG-UWVGGRQHSA-N 316.308 -0.807 30 20 DBED C[C@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)Cn1cccn1 1178111184 NJDPKDCIGQPHRR-RYUDHWBXSA-N 304.354 -0.898 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)Cc2cccnc2)C1 1182023915 NPHPXATZVLXXFN-CQSZACIVSA-N 300.362 -0.436 30 20 DBED C=CCOCCN[C@@H]1CCN(C(=O)[C@@H](C)S(C)(=O)=O)C1 1183657136 JYFRKVBIBOSNRL-VXGBXAGGSA-N 304.412 -0.187 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)[C@H](OC)C3CC3)[C@@H]2C1 1187714394 PPMLGMDVNFPODP-SQWLQELKSA-N 319.405 -0.307 30 20 DBED CC[C@H](C)C(=O)NCC(=O)N1CC[C@@H](NCC#CCOC)C1 1187902875 YNCVONWNDPYZOL-UONOGXRCSA-N 309.410 -0.011 30 20 DBED COCC#CCN1C[C@@H]2CCN(C(=O)c3cn(C)c(O)n3)[C@@H]2C1 1189018335 MKRIWMCPFFVWFH-GXTWGEPZSA-N 318.377 -0.078 30 20 DBED C#CCCN(C)[C@H]1CCN(C(=O)CN(C)S(C)(=O)=O)C1 1190472283 IDXWANNYDLHWAG-LBPRGKRZSA-N 301.412 -0.566 30 20 DBED CC[C@H](CN1C[C@@H](O)[C@H](NC(=O)CSCC#N)C1)OC 1191162500 WCXLNFATGLXYFT-IJLUTSLNSA-N 301.412 -0.171 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C=C2CCCCC2)C1 1191441000 USWIDVOZRLPCGU-HUUCEWRRSA-N 319.405 -0.212 30 20 DBED CCn1cc(C(=O)N[C@@H]2CN(CC#CCOC)C[C@H]2O)cn1 1191853548 FFWJJCFASXCUOF-ZIAGYGMSSA-N 306.366 -0.672 30 20 DBED Cc1noc(CCCN2C[C@@H](O)[C@H](NC(=O)[C@H](C)C#N)C2)n1 1191865254 UGJMRNNUXXWNSA-YUSALJHKSA-N 307.354 -0.368 30 20 DBED C=C(C)CN(C)[C@@H]1CCN(C(=O)CS(=O)(=O)N(C)C)C1 1193777173 MXWDLONOOIVIPZ-GFCCVEGCSA-N 303.428 -0.013 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)COCc2nnc(C)s2)C1 1194451553 RHAPZAHAYLJCQE-GHMZBOCLSA-N 310.379 -0.842 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)COc2c(C)occc2=O)C1 1194594445 ZBCROWRPLFLURY-DGCLKSJQSA-N 306.318 -0.878 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)[C@]2(COC)CCOC2)C1 1195051245 WHOXGXITOSCRCP-BZPMIXESSA-N 318.801 -0.047 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H](CC)CCC)C1 1197253211 JJCPRZVJBUBYEY-BFHYXJOUSA-N 309.410 -0.277 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)CO[C@@H](C)c2nccn2C)C1 1198233545 IMWNPTUIJIJTJA-YNEHKIRRSA-N 306.366 -0.708 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)CCCNC(=O)c2ccco2)C1 1198571105 PSWPHZHZPIVLHZ-VXGBXAGGSA-N 320.349 -0.526 30 20 DBED C=CCCC(=O)N1CCCO[C@@H](CN[C@@H]2CCC(=O)NC2=O)C1 1200083149 AXESKLSTOJRDKE-QWHCGFSZSA-N 323.393 -0.035 30 20 DBED C[C@@H](C#N)C(=O)N1CCCO[C@H](CNCCn2cncn2)C1 1200115465 MKLJPRPQENRVJK-QWHCGFSZSA-N 306.370 -0.355 30 20 DBED N#Cc1c[nH]c(C(=O)N2CCCO[C@@H](CNCC(N)=O)C2)c1 1200208122 YJGGGVHQZCTBST-NSHDSACASA-N 305.338 -0.808 30 20 DBED N#CCNC[C@H]1CN(C(=O)[C@@H]2CCCN(C(N)=O)C2)CCCO1 1200911666 NYWQQCCKQQBOPP-OLZOCXBDSA-N 323.397 -0.492 30 20 DBED COCC#CCNC1CCN(C(=O)[C@H]2CCCC(=O)N2)CC1 1201182124 BNUQQPPXAUVMLF-CQSZACIVSA-N 307.394 -0.115 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)Cc2cnc[nH]2)CCCO1 1201484429 UJDQZXYWKHAKSH-OAHLLOKOSA-N 320.393 -0.191 30 20 DBED CCn1nc(C(=O)N2CCCO[C@@H](CNCC#N)C2)ccc1=O 1201660556 ZUFFZMRELOBKAC-LBPRGKRZSA-N 319.365 -0.393 30 20 DBED C#CCNC[C@@H]1CN(C(=O)COCc2ncnn2C)CCCO1 1201757244 FEGSTMCJQNHADS-CYBMUJFWSA-N 321.381 -0.828 30 20 DBED C=CCNC(=O)[C@H](C)NC1CCN(C(=O)c2nnn(C)n2)CC1 1202040365 KDDQHHDBGUJSIB-JTQLQIEISA-N 321.385 -0.905 30 20 DBED COCC#CCNCC1CCN(C(=O)[C@H]2CCN(C)C2=O)CC1 1205966278 QOSMJHDVMNKYAG-HNNXBMFYSA-N 321.421 -0.057 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)[C@H](C)OCC#C)[C@H](C)C1 1206963704 LXQIRLCMGMGCFF-HZSPNIEDSA-N 305.378 -0.789 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)c2ncc[nH]2)C1 1207995491 JIQHTDOQRXGWNP-VXGBXAGGSA-N 303.366 -0.258 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2CC)[C@H](C)C1 1208046925 QHRKBWGGUNFWDF-TUVASFSCSA-N 321.421 -0.013 30 20 DBED CNC(=O)NC(C)(C)C(=O)N[C@@H]1CN(CC#CCOC)C[C@H]1C 1211326852 VZBGBRLXVYNVEY-CHWSQXEVSA-N 324.425 -0.220 30 20 DBED COCC#CCN1C[C@@H](NC(=O)Cc2cnoc2)[C@H](OC)C1 1213324177 RVROHXFCPBZRCD-ZIAGYGMSSA-N 307.350 -0.318 30 20 DBED C=CCC[C@H](C)N1C[C@H]2[C@@H](C1)OCCN2C(=O)CNC(N)=O 1217275504 IPPYOUYCPVRPJM-RWMBFGLXSA-N 310.398 -0.079 30 20 DBED C#CCNC(=O)CC(=O)N1CCO[C@@H]2CN(CCCOC)C[C@@H]21 1217684473 PEBHMDGJXMRSPE-UONOGXRCSA-N 323.393 -0.926 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCO[C@@H]2CN(CCOCC)C[C@@H]21 1217874989 CLEQNQBNLIZKGO-SOUVJXGZSA-N 310.394 -0.027 30 20 DBED CC[C@H](C)C(=O)NCC(=O)N1CCO[C@@H]2CN(CC#N)C[C@@H]21 1219035981 DDXWJWKQYNWGBO-RWMBFGLXSA-N 308.382 -0.416 30 20 DBED COCC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1nonc1C 1219068888 NLBRAZVDHYGFAR-QWHCGFSZSA-N 320.349 -0.447 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)[C@H](Cn2cccn2)N(C)C)C1 1219800528 PXSLQCALGMZLFR-ILXRZTDVSA-N 321.425 -0.449 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)[C@H](C)OCCOC)C1 1220465816 VBDRQKMLZWNPHM-MJBXVCDLSA-N 316.398 -0.598 30 20 DBED C=CCCCN1C[C@H](O)[C@H](NC(=O)[C@@H](CCC)NC(N)=O)C1 1220857197 NSEUZSFEIZNUSR-UPJWGTAASA-N 312.414 -0.049 30 20 DBED CO[C@H](C(=O)N1C[C@H]2CCN(CC(=O)NCC#N)C[C@H]21)C1CC1 1221516578 VGOXPWWSPLWBRL-NFAWXSAZSA-N 320.393 -0.416 30 20 DBED C=CCNC(=O)CN1CCC(CNC(=O)[C@H]2COC(=O)N2)CC1 1223012590 JVVARCDRIQHWBG-GFCCVEGCSA-N 324.381 -0.775 30 20 DBED C=CCNC(=O)[C@H](C)N1CCC(NC(=O)[C@H]2CCC(=O)N2)CC1 1226549686 ULTPKYNHVNVIDP-WCQYABFASA-N 322.409 -0.464 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)c1cnccn1 1230636837 BEVYPFAYNYVWCB-LBPRGKRZSA-N 301.350 -0.628 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)CCCNC(=O)c1cnn(C)c1 1233812418 MFMDLCAJRPHUQE-GFCCVEGCSA-N 305.382 -0.390 30 20 DBED C=C(C)CN1CC[C@@H]1CN(C)C(=O)Cn1ccc(=O)n(C)c1=O 1235007788 RIQBBSWDCWVYDA-CYBMUJFWSA-N 320.393 -0.344 30 20 DBED C=C(C)CN1CCC[C@H](NC(=O)CNC(=O)CNC(C)=O)C1 1317975084 JSMMNGXQGOJUJJ-ZDUSSCGKSA-N 310.398 -0.605 30 20 DBED CCN(CCCO)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1318964396 QONWDXQFCRVALI-SEYXRHQNSA-N 310.354 -0.073 30 20 DBED C=C[C@@H](COC)NC(=O)N(C)C[C@@H](O)CN1CCOCC1 1320311872 GBYUGAKONLFXTP-QWHCGFSZSA-N 301.387 -0.478 30 20 DBED C=CCN(C(=O)C(=O)NCC(F)F)[C@H]1CCS(=O)(=O)C1 1320378958 LXGKTQXVBKIDHK-QMMMGPOBSA-N 310.322 -0.431 30 20 DBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCC1CC1 1321781698 AEASQTSHEBMISB-UHFFFAOYSA-N 304.354 -0.219 30 20 DBED C=CCNC(=O)CNC(=O)N1CCC(S(=O)(=O)CC)CC1 1324669158 KORXYZIIJHHBKH-UHFFFAOYSA-N 317.411 -0.103 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@H](C=C)COC 1325473527 FTYPYEISFOYXME-SNVBAGLBSA-N 304.368 -0.979 30 20 DBED C#CCSCCNC(=O)C(=O)N1CCN(C(C)=O)C[C@H]1C 1329182503 JYPOLFMLGUBBDM-LLVKDONJSA-N 311.407 -0.452 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)NC/C=C/CC)CC1 1335541583 YPIMZWRWQGJXCD-AATRIKPKSA-N 314.411 -0.253 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N[C@@H]1CCCN(C(=O)OC)C1 1341146635 AFBYRZHINDFWTH-WDEREUQCSA-N 313.354 -0.349 30 20 DBED C[C@H](OC(=O)Cn1cc([C@@H](C)O)nn1)C(=O)NC1(C#N)CCC1 1343435642 AZGQGTDBTZQQAJ-ZJUUUORDSA-N 321.337 -0.174 30 20 DBED C#CCNC(=O)C1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 1345474318 VXFHHHLFLQBICR-UHFFFAOYSA-N 305.294 -0.081 30 20 DBED C=CCN(C(=O)C(=O)N[C@H](C)C[S@](C)=O)[C@H](C)COC 1347587147 NJGFNESRFAPQTG-HZNYWTHISA-N 304.412 -0.081 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CCC(CCN)CC2)nn1 1349634901 OQQDGSKHFWRVPY-UHFFFAOYSA-N 320.397 -0.332 30 20 DBED C=CCn1c([C@@H](O)COC)nnc1N1CCN2CCOC[C@H]2C1 1356192293 HJFZZMIYSLPLTN-OLZOCXBDSA-N 323.397 -0.335 30 20 DBED C[C@H](CNC(=O)Cn1cc(C#N)c(O)nc1=O)N(C)C1CC1 1362027496 AUJJBWKNZIMQNK-SECBINFHSA-N 305.338 -0.581 30 20 DBED CC1(C)CNC(=O)[C@@H]1NCc1cc(O)n2ncc(C#N)c2n1 1363288217 INZKYXGVUOXAAH-NSHDSACASA-N 300.322 -0.079 30 20 DBED C[C@@H](C#N)C(=O)N(CCNC(=O)c1nccnc1N)C1CC1 1408905732 UCAFDNWQFZKLLN-VIFPVBQESA-N 302.338 -0.061 30 20 DBED C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)CS(=O)(=O)NC)C1 1410846550 IQYBSIGBNQFBSB-NXEZZACHSA-N 309.819 -0.133 30 20 DBED CC(=O)NCC(=O)N1CC[C@]2(CCN(C(=O)[C@@H](C)C#N)C2)C1 1417225958 FUTRVISOYGFICV-NHYWBVRUSA-N 306.366 -0.267 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)c2ccc3nnnn3c2)C1 1430165561 KQKSQSRZJGTZPS-LSJOCFKGSA-N 313.321 -0.339 30 20 DBED C[C@H](C#N)CN(C(=O)Cn1cc(C#N)c(O)nc1=O)C1CC1 1433870161 PLOKNEAXVKQWEE-SECBINFHSA-N 301.306 -0.029 30 20 DBED C[C@H]1CCNC(=O)[C@H]1NCc1cc(O)n2ncc(C#N)c2n1 1434465204 APZRQXRIFCCOMU-UFBFGSQYSA-N 300.322 -0.079 30 20 DBED C[C@H](C#N)C(=O)N1CCN(CCNC(=O)c2cocn2)CC1 1453933979 OXVNLUDZYRPFGC-LLVKDONJSA-N 305.338 -0.292 30 20 DBED COC(=O)N1CCCN(c2[nH]c(=O)n(C)c(=O)c2C#N)CC1 1472679318 KVDGQNPXCKUFSL-UHFFFAOYSA-N 307.310 -0.776 30 20 DBED C#CCCN1CC[C@H](NC(=O)CN(C)S(=O)(=O)CC)C1 1481694730 DOYHVLBPMWLCBC-LBPRGKRZSA-N 301.412 -0.518 30 20 DBED CC[C@@H](C(=O)N1CCC[C@@H]1CNCC(=O)NCC#N)N(C)C 1482065177 NMBQRQHPLKAUNK-OLZOCXBDSA-N 309.414 -0.453 30 20 DBED C=C(Cl)CNC[C@@H](C)N(C)C(=O)C[C@H](NC(C)=O)C(N)=O 1482339367 PZVUXEUUIHTBEU-KOLCDFICSA-N 318.805 -0.445 30 20 DBED C[C@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)c1cnnn1C 1494661748 AXDLHWZVKZNMFM-MRVPVSSYSA-N 301.310 -0.437 30 20 DBED C[C@@H](C#N)C(=O)N(CCNC(=O)CN1CCOCC1)C1CC1 1529741894 FHNJUIKEQQDSRN-LBPRGKRZSA-N 308.382 -0.415 30 20 DBED Cn1cc(C=O)cc1C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[nH]1 1581767353 SWVCLURYFRQRMR-UHFFFAOYSA-N 311.265 -0.135 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)c2ccc(-c3nn[nH]n3)cn2)CCO1 1581857340 YGMIEMFYCPYGMS-SECBINFHSA-N 321.322 -0.825 30 20 DBED N#CCCn1ccc(NC(=O)Cn2cnc(-c3nn[nH]n3)n2)n1 1581858205 VLNJEZKLDPBDGB-UHFFFAOYSA-N 313.285 -0.793 30 20 DBED C#C[C@@H](CO)NS(=O)(=O)c1cc(F)c(F)c(C(=O)O)c1 1588370723 LZMJNIRSMKRYGR-LURJTMIESA-N 305.258 -0.065 30 20 DBED C#CC[C@@H](NS(=O)(=O)c1cc(C(=O)O)n(C)c1)C(=O)OC 1588423694 OFAADZGDYKUEDE-SECBINFHSA-N 314.319 -0.434 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N1C[C@H](O)C[C@@H](C(=O)O)C1 1592222118 RHXHBMWAGYGHQO-OPRDCNLKSA-N 305.356 -0.767 30 20 DBED Cn1c(CC#N)nnc1SCCc1cn(CC(=O)O)nn1 1600911825 LJYJBBYVTRYOKP-UHFFFAOYSA-N 307.339 -0.108 30 20 DBED C#CC[C@@H](NC(=O)c1cc(S(N)(=O)=O)sc1C)C(=O)O 1602692125 HRLUCBSODUDMRY-MRVPVSSYSA-N 316.360 -0.090 30 20 DBED N#Cc1cn(CC(=O)O)c(=O)n(CCCc2cnoc2)c1=O 1605622810 BOVOZUDNJYYOSK-UHFFFAOYSA-N 304.262 -0.413 30 20 DBED N#CCCCCNC(=O)C(=O)N1C[C@H]2COCC[C@@]2(C(=O)O)C1 1608180380 MPURBTAEJLWLKU-XHDPSFHLSA-N 323.349 -0.254 30 20 DBED N#CC[C@]1(O)CCN(S(=O)(=O)c2cc(C(=O)O)ccn2)C1 1608180992 CIAMCHBGLHDCAB-LBPRGKRZSA-N 311.319 -0.181 30 20 DBED N#Cc1nc(NC(=O)C[C@H]2CCCC(=O)N2)[nH]c1-c1nn[nH]n1 1609496397 JOXCHEQLVKYFKG-ZCFIWIBFSA-N 315.297 -0.541 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@H](NC(=O)COCCC=C)C1 1661049700 QBNYYWXCUUXHSH-KBPBESRZSA-N 307.394 -0.093 30 20 DBED C#CCNC(=O)[C@H](C)N1CC(CNC(=O)CC[C@@H]2CCOC2)C1 1753399379 HQAKJZKLRHOTJE-UONOGXRCSA-N 321.421 -0.011 30 20 DBED C#CCOCCC(=O)N1C[C@@H]2C[C@H]1CN2[C@@H](C)c1nnnn1C 1753420711 IGEQZQXEXMXAQM-AVGNSLFASA-N 318.381 -0.404 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H](CC)CNC(=O)c1cc(OC)no1 1753474098 YHZKRRNDWVMFGG-QWRGUYRKSA-N 322.365 -0.081 30 20 DBED CN(CCN(C)C(=O)CCc1nccn1C)CC(=O)NCC#N 1753860307 RSVCRDSMZPDNTD-UHFFFAOYSA-N 320.397 -0.617 30 20 DBED COC[C@H](O)CN1CC[C@@](C)(NC(=O)CSCC#N)C1 1754665396 QCVMOPZQSXOUBF-DGCLKSJQSA-N 301.412 -0.169 30 20 DBED COCC#CCN1CC[C@](C)(NC(=O)CCc2cn(C)nn2)C1 1754685423 KVBITGIGMDSAST-INIZCTEOSA-N 319.409 -0.022 30 20 DBED C=CCOCCN1CC[C@@](O)(CNC(=O)c2ccncn2)C1 1754759548 JEUGLGLWLVJJMW-OAHLLOKOSA-N 306.366 -0.154 30 20 DBED C#CCN1CC(O)(CNC(=O)Cc2nn(C)c3ccccc23)C1 1754766800 FBGUTQYEJVCOSB-UHFFFAOYSA-N 312.373 -0.088 30 20 DBED N#CCNC(=O)CN1C[C@H]2C[C@@H](NC(=O)c3cc[nH]n3)C[C@H]1C2 1754779602 OGNLMPCQVJFXBL-QJPTWQEYSA-N 316.365 -0.368 30 20 DBED CC[C@@H](NC(C)=O)C(=O)NC[C@@H]1CCC2(CN(CC#N)C2)O1 1755055863 PVOWLCYIOMHNES-QWHCGFSZSA-N 308.382 -0.226 30 20 DBED C#CCNCC1(NC(=O)[C@@H](OC)[C@@H]2CCOC2)CCOCC1 1755096798 JQKHPTQCMUGGSU-KGLIPLIRSA-N 310.394 -0.074 30 20 DBED C=CCCCN[C@H](C)[C@H](C)NC(=O)Cn1ccc(=O)n(C)c1=O 1755237065 NAXGNBALAPPEQL-OLZOCXBDSA-N 322.409 -0.004 30 20 DBED C#CCNC(=O)CN1C[C@H](NC(=O)c2c[nH]nc2C)C(C)(C)C1 1755410685 XFPCIESYOHERHI-ZDUSSCGKSA-N 317.393 -0.092 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)Cc2nc[nH]n2)[C@@H]1C 1755664166 QEDRCKGDVRLDLB-MNOVXSKESA-N 306.370 -0.772 30 20 DBED C=CCOCCNC[C@@H]1CC[C@@H](NC(=O)c2nnn(C)n2)C1 1755744418 VVVQMIKSPZXQIV-VXGBXAGGSA-N 308.386 -0.099 30 20 DBED C#CCN1CCC(C(=O)N[C@H]2CC[C@H](CNCC(N)=O)C2)CC1 1755749228 GNLKPFPVXHKUOZ-ZFWWWQNUSA-N 320.437 -0.309 30 20 DBED C=CCN(C)C[C@H](O)CN(C)C(=O)C[C@H]1CCCS1(=O)=O 1755803121 NNFRTWMOERMMAQ-QWHCGFSZSA-N 318.439 -0.109 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H](C)N(C)C(=O)Cn1cncn1 1756027125 NEHBELVNDAWBDK-VXGBXAGGSA-N 307.354 -0.721 30 20 DBED C=CCn1cc(C(=O)N(C)C[C@H](O)CNC(=O)[C@@H]2C[C@H]2C)nn1 1756662114 DJSXSXFVSDXLEM-IJLUTSLNSA-N 321.381 -0.331 30 20 DBED C=CCOCC(=O)N1C[C@@H](NC(=O)c2nc(C)c[nH]2)[C@H](OC)C1 1757130276 MXCOYTYLOAIPBI-VXGBXAGGSA-N 322.365 -0.124 30 20 DBED Cc1nsc(C=NNC(=S)NCC(N)=O)c1C(=O)O 1776042442 OFALKIXQFDDRFI-UHFFFAOYSA-N 301.353 -0.567 30 20 DBED C[C@@](O)(CNS(=O)(=O)c1cccc(C#N)c1F)C(=O)O 1776462715 TYXDISDNDZIHKJ-LLVKDONJSA-N 302.283 -0.189 30 20 DBED C[C@H](O)C(=O)N1CC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1783517009 VGVABGUTANSNTB-NHYWBVRUSA-N 307.350 -0.499 30 20 DBED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)c2ccon2)C1 1842540937 JDWXEJJMZCLLKY-UHFFFAOYSA-N 303.274 -0.420 30 20 DBED CCN(CCC#N)C(=O)CN1CCNC(=O)[C@H]1CC(=O)OC 51794636 NCHLKOOMCHAONY-LLVKDONJSA-N 310.354 -0.888 30 20 DBED C=CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)CC(=O)OCC 110055387 DBXDSRNGKVBDGP-LLVKDONJSA-N 318.395 -0.659 30 20 DBED CS(=O)(=O)N[C@H]1CCC[C@H]1C/N=C(\N)N1CCOCC1 134116578 RIAQTTXKROTVTO-QWRGUYRKSA-N 304.416 -0.649 30 20 DBED C=C[C@](C)(CC)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 134932933 SICIYCAFVPVIBZ-CQSZACIVSA-N 306.370 -0.054 30 20 DBED C#CCN1CCN(C(=O)CN2CCC[C@H]2c2nncn2C)CC1 156662947 QNCNSMSWVAHTCV-AWEZNQCLSA-N 316.409 -0.271 30 20 DBED C#CC[C@H](NS(=O)(=O)c1ccc(C)c(C(N)=O)c1)C(=O)O 159568651 LBCVFSHBFJKILV-NSHDSACASA-N 310.331 -0.151 30 20 DBED Cc1cc(C#N)ccc1S(=O)(=O)N[C@@H](CC(N)=O)C(=O)O 230022143 XWYGMYMCVPRSEK-VIFPVBQESA-N 311.319 -0.526 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@]2(CC)CO)C1=O 275876707 LJLIGJHIDXKIKK-HNNXBMFYSA-N 323.349 -0.273 30 20 DBED CCOC(=O)CCC(=O)Cn1c(=O)c(C#N)cn(CC)c1=O 276583229 OTRQWBIEJWAALG-UHFFFAOYSA-N 307.306 -0.186 30 20 DBED C#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@H](CO)COC 280489259 QMECUGKJXSYTOE-LLVKDONJSA-N 324.308 -0.100 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCCNS(C)(=O)=O 281588376 VJSPNGDYCCPJQO-MNOVXSKESA-N 305.400 -0.184 30 20 DBED COC(=O)[C@@H]1[C@H](O)CCCN1S(=O)(=O)c1ccc(C#N)o1 287403697 OORGLHTVDSPAGP-KOLCDFICSA-N 314.319 -0.162 30 20 DBED N#Cc1cccc(CN2CCN(C(=O)Cn3cnnn3)CC2)c1 289138619 ACBVWNHGXSAAGO-UHFFFAOYSA-N 311.349 -0.111 30 20 DBED CC[C@@]1(C)NC(=O)N(NS(=O)(=O)N(C)C[C@@H](C)C#N)C1=O 289257373 UYPAYBZDIKEFGZ-GZMMTYOYSA-N 317.371 -0.452 30 20 DBED C[C@@H](O)C(=O)N1CCN(S(=O)(=O)c2cncc(C#N)c2)CC1 289407436 GNUPNFOLMOJJBX-SNVBAGLBSA-N 324.362 -0.833 30 20 DBED CC(C)[C@@H](C/N=C(/O)N(C)[C@@H]1COC[C@H]1O)N1CCOCC1 329495466 WZNDYWQZIFBLCW-MGPQQGTHSA-N 315.414 -0.051 30 20 DBED C/N=C(/O)N[C@@H]1CCN([C@@H]2CCN(c3cnn(C)c3)C2=O)C1 329826288 IPSDPVVCOQIAHD-ZYHUDNBSSA-N 306.370 -0.267 30 20 DBED CC(=O)N1CC[C@@H](N/C(O)=N/CCS(=O)(=O)NC(C)C)C1 331006437 LWQWDCPIWXXUSU-LLVKDONJSA-N 320.415 -0.561 30 20 DBED N#Cc1ncn(CC(=O)N2CCN(CC(F)(F)F)CC2)n1 331149662 NHPZANFTTWERQO-UHFFFAOYSA-N 302.260 -0.144 30 20 DBED COCCN(CCC#N)S(=O)(=O)NC1(C(=O)OC)CC1 336884605 IIFWXSOCEQQSQT-UHFFFAOYSA-N 305.356 -0.612 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CC[C@H](C)S(=O)(=O)CC1 337147592 GLHZJWBSMONSEM-NSHDSACASA-N 323.440 -0.024 30 20 DBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[C@@H](O)C1 339722203 ZZHTUJAHEAIGKG-ZYHUDNBSSA-N 323.374 -0.182 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCCn2cccn2)C1=O 342926063 WIIDIWTZIJPLAE-GFCCVEGCSA-N 319.365 -0.755 30 20 DBED CN(CC(C)(C)C#N)C(=O)CCn1cc(S(N)(=O)=O)cn1 353168727 CUWUJNHZHRFKKU-UHFFFAOYSA-N 313.383 -0.071 30 20 DBED COc1cc(C)c(NC(=O)C(=O)NCC(=O)NCC#N)cc1F 357286358 HHGQJALDZATOGV-UHFFFAOYSA-N 322.296 -0.163 30 20 DBED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NCC2(O)CCC2)n1 359155929 CZDRNJJCLHJUAI-UHFFFAOYSA-N 319.365 0.479 30 20 DBED C=C[C@H](CO)NC(=O)N[C@H]1CCCN(Cc2nccn2C)C1=O 359199501 QGTIJNLSOIVQJW-NEPJUHHUSA-N 321.381 -0.243 30 20 DBED CCN(C[C@H](C)C#N)C(=O)CN1C(=O)N[C@]2(CCCNC2)C1=O 563079179 DEVOWTOZPAQHKX-ABAIWWIYSA-N 321.381 -0.331 30 20 DBED N#C[C@H]1CN(S(=O)(=O)N2CC[C@@H]3OCC[C@@H]3C2)CCO1 567497341 RKWQLEUYMXXCGD-WOPDTQHZSA-N 301.368 -0.434 30 20 DBED CN(CCC#N)S(=O)(=O)N1C[C@H](C(=O)O)[C@]2(CCOC2)C1 578110616 WKXIXSSMBBLNHR-ZYHUDNBSSA-N 317.367 -0.500 30 20 DBED CC#CC[C@@H](CO)NS(=O)(=O)c1cc(C(=O)OC)no1 599336811 REQHWXMJKYLMNZ-QMMMGPOBSA-N 302.308 -0.486 30 20 DBED CNC(=O)[C@@H](C)NC(=O)C(=O)Nc1cc(OC)c(C#N)cc1F 599949955 JVEOLXDJTIBYRM-SSDOTTSWSA-N 322.296 -0.105 30 20 DBED COc1cc(NC(=O)C(=O)NC[C@@H](O)CO)c(F)cc1C#N 599971964 QULPZEVLXRBSNZ-MRVPVSSYSA-N 311.269 -0.886 30 20 DBED Cc1ncc2c(n1)CCN(c1c(C#N)c(=O)n(C)c(=O)n1C)C2 603856647 PLXLEJQCGURTTH-UHFFFAOYSA-N 312.333 -0.383 30 20 DBED C[C@@H](C#N)CNC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 609525805 ZCHPPAMACWMITE-QWHCGFSZSA-N 308.382 -0.557 30 20 DBED COC(=O)Cn1cc(S(=O)(=O)N2CC[C@@](F)(C#N)C2)cn1 615549580 OSTCZQSJIURHSU-LLVKDONJSA-N 316.314 -0.318 30 20 DBED CC#CC[C@H](CO)NC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C 649184106 CLLSNPUCGCMZSN-GHMZBOCLSA-N 304.412 -0.159 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)CCCNC(=O)OC 733542902 QMJRUPKGHSRVFQ-UHFFFAOYSA-N 301.299 -0.322 30 20 DBED C=CCN(CC(=O)OCC)C(=O)c1cn(C)c(=O)n(C)c1=O 735004551 GEWILUBNAIFULH-UHFFFAOYSA-N 309.322 -0.725 30 20 DBED N#C[C@H]1CN([C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)CCO1 737679826 SWAKMQGCTPLINZ-NWDGAFQWSA-N 313.321 -0.383 30 20 DBED N#C[C@H]1CN([C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)CCO1 737679830 SWAKMQGCTPLINZ-RYUDHWBXSA-N 313.321 -0.383 30 20 DBED Cc1cc(C(=O)N(CC#N)CC(=O)O)ccc1S(N)(=O)=O 738318599 BTYGGTPDQZUZKJ-UHFFFAOYSA-N 311.319 -0.307 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)[C@H](NC(=O)C(C)(C)C)[C@H](C)O 745697899 BVIRZICABGJXMH-GARJFASQSA-N 312.366 -0.421 30 20 DBED C#CCCS(=O)(=O)N1CCN(C(=O)CN(CC)CC)CC1 808290764 VHPJVOHWDRLFIN-UHFFFAOYSA-N 315.439 -0.175 30 20 DBED CN(C)S(=O)(=O)N1CCN(C(=O)c2ccc(C#N)o2)CC1 814104016 BOTXTAHYTFTGQJ-UHFFFAOYSA-N 312.351 -0.285 30 20 DBED C#CCOc1ccc(NC(=O)C(=O)N2CC(=O)N[C@H](C)C2)cc1 835807510 YNQSYHSZWUKKIW-LLVKDONJSA-N 315.329 -0.016 30 20 DBED C=CCS(=O)(=O)CCNC(=O)Cn1nnc2c1CCCC2 847707143 FWFYGOJXFBVWOW-UHFFFAOYSA-N 312.395 -0.126 30 20 DBED C=CCCONC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 856028495 VCOUAMBQGCKKOC-UHFFFAOYSA-N 307.310 -0.942 30 20 DBED C#CCNC(=O)[C@@H](C)OC(=O)[C@@H](CO)NC(=O)OC(C)(C)C 860082816 FDNAWFHIAQVVLW-NXEZZACHSA-N 314.338 -0.447 30 20 DBED C=CCN(CCOC)S(=O)(=O)CCS(=O)(=O)N(C)C 882123332 DSEZFHZGTHBCEH-UHFFFAOYSA-N 314.429 -0.658 30 20 DBED C#CC1(O)CN(C(=O)[C@H](C)N2C(=O)[C@H]3CCCC[C@H]3C2=O)C1 890520412 ZQHSWSWWMGCIHL-SDDRHHMPSA-N 304.346 -0.243 30 20 DBED CN(C(=O)[C@H]1COC(=O)N1)[C@H]1CCN(C(=O)C#CC2CC2)C1 937346823 DUNIIPHZRAHLDF-NWDGAFQWSA-N 305.334 -0.433 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)[C@@H]3CCC(=O)N3)C2)[nH]1 937843534 XPZNXWWWWTVZHF-JQWIXIFHSA-N 315.333 -0.504 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](NC(=O)c2c[nH]c(C(N)=O)c2)C1 940555202 OYIHTSBJVNLZDJ-WCBMZHEXSA-N 303.322 -0.396 30 20 DBED CCn1nncc1C(=O)N[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1OC 941701942 RWBMFAYCYOZYKC-CKYFFXLPSA-N 320.353 -0.587 30 20 DBED CC#CCN1CC[C@H](NC(=O)CN2CCC(=O)NC2=O)C[C@H]1C 947899794 NIHMVXGVJKEKRR-OLZOCXBDSA-N 320.393 -0.079 30 20 DBED N#Cc1cccc(CN2CCN(C(=O)[C@H]3CNC(=O)N3)CC2)c1 949947822 KQHJFPFFDAPGHI-CQSZACIVSA-N 313.361 -0.116 30 20 DBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CCN1C(=O)CC(N)=O 950185473 OPSKWWBMXIVRSN-HUBLWGQQSA-N 323.393 -0.050 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(N(C)C(=O)Cn2cnnn2)CC1 953744630 LMKJXUWLIUGGQD-JTQLQIEISA-N 305.342 -0.718 30 20 DBED C=CCn1cc(C(=O)N(C)C2CN(C(=O)c3nc[nH]n3)C2)nn1 954308002 INSWBEASSJOAHI-UHFFFAOYSA-N 316.325 -0.821 30 20 DBED C=CCN1C[C@H](CNC(=O)c2ccn(CCN(C)C)n2)[C@@H](O)C1 958077586 WQNYHJMDIAMTMN-ZFWWWQNUSA-N 321.425 -0.347 30 20 DBED CNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)c3c[nH]c(C#N)c3)[C@H]2C1 958619020 YQRIJDGJEXIVIZ-UWJYBYFXSA-N 301.350 -0.319 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[C@H]2C(N)=O)C1 958963233 DOULNTJFODRXBE-RHYQMDGZSA-N 323.393 -0.650 30 20 DBED N#CCN1C[C@@H]2C(NC(=O)c3ccc(S(N)(=O)=O)o3)[C@H]2C1 960774813 NMXDFJQUZXIJFL-YUMQZZPRSA-N 310.335 -0.889 30 20 DBED C#CCCN1C[C@H]2[C@H](NC(=O)[C@H]3CN4CC5CC4(CO3)C5)[C@H]2C1 961283904 QPIRXNQUELIDLS-GTHOZQOVSA-N 315.417 -0.081 30 20 DBED C=C(C)CCN1C[C@@H]2C(NC(=O)CN3CC(=O)NC3=O)[C@H]2C1 962069462 WMNUXDVDESUNLD-QWRGUYRKSA-N 306.366 -0.449 30 20 DBED C#CCCN1C[C@H]2C(NC(=O)C3CCN(C(N)=O)CC3)[C@@H]2C1 962513559 XGTHLWWKVODXAX-CHWSQXEVSA-N 304.394 -0.153 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)C1=COCCO1 964062259 PZLJZMYCXSZYQP-GHMZBOCLSA-N 309.322 -0.622 30 20 DBED CC[C@@H](C(=O)N1CC2(CN(C(=O)[C@@H](C)C#N)CCO2)C1)N(C)C 965469495 ZTBGSGXUNWVEKR-STQMWFEESA-N 322.409 -0.074 30 20 DBED C=C1CC(C)(C(=O)N[C@H]2COC3(C2)CN(C(=O)C(N)=O)C3)C1 965808247 PJFHHTDTSAXLJC-SNVBAGLBSA-N 307.350 -0.686 30 20 DBED N#Cc1cccc(CN[C@@H]2CCN(C(=O)Cn3cnnn3)C2)c1 966889900 VTTDWZWVUGUMLL-CQSZACIVSA-N 311.349 -0.065 30 20 DBED C=CCCN1CC[C@@H](C)[C@H](NC(=O)CN2CC(=O)NC2=O)C1 968430527 DPXABTDYZYVIQA-VXGBXAGGSA-N 308.382 -0.059 30 20 DBED CN(C)[C@H](Cn1cccn1)C(=O)N1CC[C@@H](N(C)CC#N)C1 971679443 UCUSUKYDTLSVEI-ZIAGYGMSSA-N 304.398 -0.130 30 20 DBED C#CCN1C[C@H]2CC[C@H]1CN2C(=O)c1cc(=O)n2[nH]cnc2n1 972013722 ZQVAJZOXIJXWQU-WDEREUQCSA-N 312.333 -0.660 30 20 DBED CC#CCN1CCO[C@@]2(CCN(C(=O)c3cnn(C)c3N)C2)C1 972354944 HVRKHZOODFYEJL-INIZCTEOSA-N 317.393 -0.058 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)c3cncnc3O)C2)C1 972428492 KZBPLVUQCYCDOA-HNNXBMFYSA-N 302.334 -0.268 30 20 DBED C=CCCn1cc(C(=O)NCC2[C@@H]3CN(CC(N)=O)C[C@@H]23)nn1 978813815 HWKIFZSDRGCOLG-RYUDHWBXSA-N 318.381 -0.753 30 20 DBED C#CCN1C[C@@H]2C(CNC(=O)[C@H]3CCCS(=O)(=O)C3)[C@H]2C1 978830488 VCNHTZKBOPNLLX-IACUBPJLSA-N 310.419 -0.262 30 20 DBED C=CCN[C@H]1CCC[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 981361034 YAVGEIXVLWBSNJ-NWDGAFQWSA-N 320.393 -0.099 30 20 DBED CN1CC[C@@H](C(=O)NC[C@@H]2CCN(C(=O)C#CC3CC3)C2)C1=O 982739457 MOKVIEGQRZTTQE-KBPBESRZSA-N 317.389 -0.157 30 20 DBED C=CCn1cc(C(=O)N2CCC[C@H](N(C)C(=O)C(N)=O)C2)nn1 984204894 ITFPQYJLURJGRS-JTQLQIEISA-N 320.353 -0.988 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)C3CC3)C[C@H]2O)[nH]1 991403187 PHEDENIMZDZEAO-DGCLKSJQSA-N 302.334 -0.012 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCN(C(=O)CCC)C[C@@H]2O)nn1 991483879 FPEASLXOGQOLDE-AAEUAGOBSA-N 321.381 -0.044 30 20 DBED C=CCn1cc(C(=O)N[C@]23CCC[C@@H]2N(CC(N)=O)CC3)nn1 992307272 QXZDUIHAISWGMD-WFASDCNBSA-N 318.381 -0.324 30 20 DBED C[C@H](C#N)C(=O)N1CC(NC(=O)c2ccc(C(N)=O)nc2)C1 994924885 YOWZBVMBCCKQIL-MRVPVSSYSA-N 301.306 -0.719 30 20 DBED C#Cc1cncc(C(=O)NC2CN(C(=O)CCc3cnn[nH]3)C2)c1 999320293 RXJGBQOLIYXWEZ-UHFFFAOYSA-N 324.344 -0.246 30 20 DBED N#CCN[C@H]1CCCN(C(=O)[C@H]2CN3CC4CC3(CO2)C4)C1 999766129 QTTPZSBXKSQDBC-IOSBVQAASA-N 304.394 -0.046 30 20 DBED CN(C[C@@H]1CCCN1C(=O)CC(N)=O)C(=O)c1ccc(C#N)[nH]1 1002287666 BQGKKFNZVWYGNY-NSHDSACASA-N 317.349 -0.175 30 20 DBED C[C@H](C#N)C(=O)N1CC(CNC(=O)c2cccnc2C(N)=O)C1 1002294163 GYHHGFXNBQLXLF-SECBINFHSA-N 315.333 -0.472 30 20 DBED CC[C@]1(C(=O)N2CCN(C(=O)[C@H](C)C#N)CC2)CCNC1=O 1011317550 CMJMLUYTSQGDMN-ABAIWWIYSA-N 306.366 -0.267 30 20 DBED C#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCc2nnc(O)n2C1 1017678594 YIWMQJXQRRICAE-UPJWGTAASA-N 315.377 -0.146 30 20 DBED C[C@H]1[C@@H](NC(=O)[C@H]2CN(C)CCO2)CCN1C(=O)C#CC1CC1 1020248917 XINUUQPFJFYITJ-AEGPPILISA-N 319.405 -0.164 30 20 DBED C#CCN1CCC[C@H](CNC(=O)c2cnc(O)n(C)c2=O)C1 1023528836 RMWWDQVLXNZBJA-LLVKDONJSA-N 304.350 -0.439 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn3c(n2)CCC3)C1 1023961618 GYSZLNNQZAFQNK-CKYFFXLPSA-N 317.349 -0.710 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@H](CNCc3nc(O)n[nH]3)C2)[nH]1 1026788204 DFOMQLZUDDWGKP-SECBINFHSA-N 315.337 -0.038 30 20 DBED C#CCN(C)[C@H]1CCCN(C(=O)CC[C@H]2NC(=O)NC2=O)C1 1027673124 DEOZZIOXWFMDLZ-NWDGAFQWSA-N 306.366 -0.469 30 20 DBED C#Cc1cncc(C(=O)NCC2CN(Cc3nnnn3C)C2)c1 1031965749 SQNJYXPINLVWLU-UHFFFAOYSA-N 311.349 -0.552 30 20 DBED C=CCCn1cc(C(=O)NCC2CN([C@H](C)C(N)=O)C2)nn1 1032041203 HTBQXAKEMRFHBL-SNVBAGLBSA-N 306.370 -0.610 30 20 DBED C=CCN1CC[C@@H](N2CC(CNC(=O)[C@H]3CCN(C)C3)C2)C1=O 1032186363 OYLDQZDWPFMGHD-LSDHHAIUSA-N 320.437 -0.227 30 20 DBED C#CCCN1CCCC[C@H](NC(=O)Cn2ccc(O)nc2=O)C1 1034294454 XEEFIWZBZDSACI-ZDUSSCGKSA-N 318.377 -0.057 30 20 DBED N#CCN1CCO[C@H](CNC(=O)c2cccc(C(N)=O)c2)C1 1035419701 JIDPQAUCECYGMS-CYBMUJFWSA-N 302.334 -0.260 30 20 DBED C#CCN1CCO[C@H](CNC(=O)[C@H]2CCCc3nn[nH]c32)C1 1035486431 BFZRBMLMWLUSMW-NEPJUHHUSA-N 303.366 -0.325 30 20 DBED C#CCN1CCO[C@H](CNC(=O)c2cn([C@@H]3CCOC3)nn2)C1 1035569849 ADSBNALGSLMRHW-CHWSQXEVSA-N 319.365 -0.697 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)[C@@H]2CCCCN2C(N)=O)C1 1035571946 MMHOZNNAWMKDJR-STQMWFEESA-N 308.382 -0.630 30 20 DBED CC#CCN1[C@H]2CCC[C@H]1CN(C(=O)Cn1ncn(C)c1=O)C2 1039710117 WPYPYINLGWSANB-KBPBESRZSA-N 317.393 -0.330 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)Cc2cncs2)C1 1040127395 IJKKPYIYLRPVDV-HZMBPMFUSA-N 322.390 -0.075 30 20 DBED C=CCCCC(=O)NC[C@]1(O)CCN(C(=O)c2cnn[nH]2)C1 1040733447 MSEIXBNRYGUTIW-CQSZACIVSA-N 307.354 -0.146 30 20 DBED C#CCOCCC(=O)N1CC[C@](O)(CNC(=O)[C@H](C)C#N)C1 1040759231 GGHBFPUARCLMPN-DOMZBBRYSA-N 307.350 -0.734 30 20 DBED Cc1cc(CC(=O)N2CC[C@](O)(CNC(=O)[C@H](C)C#N)C2)n[nH]1 1040759979 FFVQJIFSAZCJOT-BMIGLBTASA-N 319.365 -0.500 30 20 DBED C[C@@H]1C[C@@H]1C(=O)NCC1(O)CN(C(=O)c2cc(C#N)c[nH]2)C1 1041284891 IESPYHSHGKMEMD-KOLCDFICSA-N 302.334 -0.155 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)c2nn(C)cc2C)C1 1041956393 JLCDENXNLAGWIE-UHFFFAOYSA-N 306.366 -0.002 30 20 DBED CN1CCC[C@@H]1C(=O)NCC1(O)CN(C(=O)C#CC(C)(C)C)C1 1042098332 PZLRZGKFCSLZLC-CYBMUJFWSA-N 321.421 -0.180 30 20 DBED Cc1cc(CC(=O)NCC2(O)CN(C(=O)C#CC(C)C)C2)no1 1042162355 OBJUPVSVSOLMKB-UHFFFAOYSA-N 319.361 -0.126 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(O)(CNC(=O)C2CC=CC2)C1 1042239168 AZERYFZJWQPXNW-OAHLLOKOSA-N 308.378 -0.031 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)Cn2nccc2C)C1 1043082791 UIQQDZJFYVYFMN-UHFFFAOYSA-N 318.377 -0.315 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)c2cc3n(n2)CCO3)C1 1043532620 BPCTWFKVSBHKIU-UHFFFAOYSA-N 320.349 -0.455 30 20 DBED N#Cc1cnccc1N1C[C@H]2[C@@H](C1)OCCN2C(=O)CC(N)=O 1043683959 ADWRDPNGCKWEQD-QWHCGFSZSA-N 315.333 -0.755 30 20 DBED CN1CC[C@H](C(=O)N[C@@H]2CN(c3ncccc3C#N)C[C@@H]2O)C1 1043965148 BRLQULSVBZYBRK-MJBXVCDLSA-N 315.377 -0.429 30 20 DBED C#CCN[C@@H]1CCN(C(=O)CCc2nnc(O)nc2O)[C@@H](C)C1 1044657068 KRDGWKZUVKSQIM-WDEREUQCSA-N 319.365 -0.182 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)c2oncc2C)C1 1045675291 DBDOGNKULRFLDI-UHFFFAOYSA-N 309.322 -0.511 30 20 DBED C#Cc1cncc(C(=O)NCC2(O)CN(C(=O)[C@@H](C)C#N)C2)c1 1046332847 YSEPGLDUJNVTLP-NSHDSACASA-N 312.329 -0.474 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)CCCCC(N)=O)C1 1046613669 OZYRBUHMTJKABX-UHFFFAOYSA-N 311.382 -0.312 30 20 DBED C#CCN1CC[C@](C)(NC(=O)c2cc(=O)n3[nH]cnc3n2)C1 1046769507 WPXUTKZETUVKOR-AWEZNQCLSA-N 300.322 -0.755 30 20 DBED C=CCN1CC[C@@H](NC[C@@]2(C)CCN(C(=O)CC(N)=O)C2)C1=O 1046886724 IKADSPABVAWBRV-MLGOLLRUSA-N 322.409 -0.523 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(=O)n(C)c2)C1 1047441342 PVLPDEQQGKTSQP-KBPBESRZSA-N 303.362 -0.474 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2coc(COC)n2)C1 1047581622 GYTPNJMRCMKCCO-STQMWFEESA-N 307.350 -0.039 30 20 DBED CN(C(=O)C#CC1CC1)[C@H]1CN(C(=O)COCC2CC2)C[C@@H]1O 1048821065 FJRALMFLNLALFL-GJZGRUSLSA-N 320.389 -0.144 30 20 DBED N#CCN1C[C@H]2CN(C(=O)C[C@H]3CCCS3(=O)=O)C[C@H]2C1 1048959552 LJVBEOCSVMFTJE-FRRDWIJNSA-N 311.407 -0.133 30 20 DBED C=CCCCC(=O)N(C)[C@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1O 1049356520 ZONRSRUVKFKXCX-QWRGUYRKSA-N 307.354 -0.195 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)[C@H]1CCc2nnnn2CC1 1051123983 AUBUGUVFNRTTIW-STQMWFEESA-N 318.381 -0.924 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)Cc1nonc1C)CCO2 1053491937 CQJPIBBEFUVSLP-UHFFFAOYSA-N 304.350 -0.143 30 20 DBED N#CCN1CC2(C1)CN(C(=O)CCc1cnccn1)CCO2 1053499182 SWSPFTVZKUVCAH-UHFFFAOYSA-N 301.350 -0.154 30 20 DBED C#CCCN1CC2(CC[C@H](CNC(=O)c3c[nH]c(=O)cn3)O2)C1 1053654317 IRDSVPVRGSZYNZ-GFCCVEGCSA-N 316.361 -0.244 30 20 DBED C=C(C)CCN1CC2(C[C@@H](NC(=O)[C@@H]3CN(C)C(=O)N3)CO2)C1 1053890640 CWJQSECDESGNLN-OLZOCXBDSA-N 322.409 -0.064 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)c3c(C)nn(C)c3OC)CO2)C1 1053943982 ARTUUVMRDSVZAY-GFCCVEGCSA-N 318.377 -0.057 30 20 DBED N#Cc1nccc(N2CCN(C(=O)[C@H]3CCNC(=O)C3)CC2)n1 1055753373 XONZLDOIZIBRLT-NSHDSACASA-N 314.349 -0.477 30 20 DBED CCOCC(=O)N1CCC[C@@](CO)(NC(=O)C#CC2CC2)C1 1055936877 MXUYGFZUGJYAKK-MRXNPFEDSA-N 308.378 -0.094 30 20 DBED N#Cc1nc(=N[C@@H]2CCN(C(=O)c3cnns3)C2)cc[nH]1 1056563248 VGDXMXIKWNGRLU-MRVPVSSYSA-N 301.335 -0.052 30 20 DBED CCOCC(=O)N(CCO)CCNC(=O)c1c[nH]c(C#N)c1 1056864627 FGKSVYVJJKQJKC-UHFFFAOYSA-N 308.338 -0.526 30 20 DBED N#Cc1c[nH]c(C(=O)NCCN(CCO)C(=O)[C@H]2CCCO2)c1 1056892979 OYRUQKBPRXDYLX-CYBMUJFWSA-N 320.349 -0.384 30 20 DBED CN(c1ccc(C#N)nn1)[C@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 1056998166 QSYILRDCADZUSH-NWDGAFQWSA-N 314.349 -0.479 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCN(CCO)C(=O)C(C)C 1057011579 OJCXODRFEUHMJI-AWEZNQCLSA-N 309.410 -0.323 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)c1cnnn1CC 1057171313 WSRSQVKKMBCIAZ-UHFFFAOYSA-N 309.370 -0.185 30 20 DBED N#Cc1cnc(N2CC[C@H](NC(=O)[C@@H]3CCNC3=O)C2)c(F)c1 1058508243 XVMSUHVISSMUCP-WDEREUQCSA-N 317.324 -0.077 30 20 DBED N#Cc1nccc(N2C[C@@H]3CC[C@H](C2)N3C(=O)CC(N)=O)n1 1058740077 PLEHZGQOGSWGNW-AOOOYVTPSA-N 300.322 -0.597 30 20 DBED C[C@@]1(C(=O)N[C@H]2C[C@@H](N=c3cc[nH]c(C#N)n3)C2)CNC(=O)C1 1059773291 HWVOQIXUQLHZHU-WMFXKJRFSA-N 314.349 -0.645 30 20 DBED N#Cc1cnc(N[C@H]2C[C@@H](NC(=O)[C@H]3CNC(=O)N3)C2)c(F)c1 1059803001 QAWYHNQAXRIXKG-WCABBAIRSA-N 318.312 -0.167 30 20 DBED N#Cc1cncc(NC[C@H]2CCN(C(=O)[C@H]3COC(=O)N3)C2)n1 1060865000 HYVZOUARLPLMOF-MWLCHTKSSA-N 316.321 -0.283 30 20 DBED C=CCC1(C(=O)NC[C@H]2COCCN2C(=O)CC(N)=O)CCC1 1061869738 WPZHQJHGBLQDKN-LBPRGKRZSA-N 323.393 -0.048 30 20 DBED C#CCO[C@@H](C)C(=O)NC1(CNC(=O)[C@H]2CCC(=O)N2)CCC1 1062707999 ZTKWIZVRSVHZNX-NWDGAFQWSA-N 321.377 -0.542 30 20 DBED C#CCOCCC(=O)NC1(CNC(=O)CCNC(N)=O)CCC1 1063003820 NBULCEZVVQBJTG-UHFFFAOYSA-N 324.381 -0.760 30 20 DBED C#CCOCCC(=O)NC1(CNC(=O)CCCC(N)=O)CCC1 1063515355 USOPSFUWMFUEDA-UHFFFAOYSA-N 323.393 -0.163 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)[C@@H](C)S(C)(=O)=O)CCC1 1063563225 JCVIWOKNWXENAK-NXEZZACHSA-N 315.395 -0.266 30 20 DBED C=CCOCC(=O)NC1(CNC(=O)CCn2cnnn2)CCC1 1064200221 TWWPLOYYQMUAFL-UHFFFAOYSA-N 322.369 -0.579 30 20 DBED Cc1nc(CC(=O)N[C@@H]2[C@H]3C[C@H]2N(c2nccnc2C#N)C3)n[nH]1 1064249848 KFUZRKFXLUKCBU-DRCTWCGVSA-N 324.348 -0.289 30 20 DBED Cn1ncc(C(=O)N[C@@H]2[C@H]3C[C@H]2N(c2cncc(C#N)n2)C3)n1 1064274711 CIDUZOMOUIDTKZ-RLCGTCKNSA-N 310.321 -0.516 30 20 DBED C=CC(C)(C)C(=O)NC[C@H]1CN(C(=O)CNC(C)=O)CCO1 1064784973 VBCIBJYYDQQPHV-LBPRGKRZSA-N 311.382 -0.322 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)[C@@H]2COC(=O)N2)CCO1 1065104123 BTQUDHUSLZKNBC-MNOVXSKESA-N 311.338 -0.595 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(C(=O)c2ncc[nH]2)CCO1 1065119889 HPKSDSMRZKHNPY-LBPRGKRZSA-N 302.334 -0.220 30 20 DBED CCCN(C)CC(=O)N1CCO[C@H](CNC(=O)[C@H](C)C#N)C1 1065405884 CJVAPXLZAAOJFP-CHWSQXEVSA-N 310.398 -0.169 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C)CCO1 1065425812 VZECCRKOXVYIJA-JHJVBQTASA-N 321.377 -0.875 30 20 DBED Cc1cc(C#N)nc(N2C[C@@H]3CCCN(C(=O)C(N)=O)[C@@H]3C2)n1 1066245867 ZKCKUYKIPVRIRM-CMPLNLGQSA-N 314.349 -0.431 30 20 DBED N#Cc1nccnc1N1CCOC[C@@H]1CNC(=O)c1cocn1 1066470257 LRYOSXKUBGPSHG-JTQLQIEISA-N 314.305 -0.029 30 20 DBED C[C@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1Nc1cncc(C#N)n1 1067050199 ZHBXFJNJKQKNJK-GXSJLCMTSA-N 323.378 -0.348 30 20 DBED C#CCO[C@H](C)C(=O)N1CCOC2(CN(C(=O)[C@H](C)OC)C2)C1 1068397063 XDJBHLNRDCGJER-QWHCGFSZSA-N 324.377 -0.501 30 20 DBED C[C@@H]1[C@H](N=c2cc[nH]c(C#N)n2)CCN1C(=O)c1cnnn1C 1068835296 MNEDXMXYNZAUPY-NXEZZACHSA-N 312.337 -0.386 30 20 DBED Cc1n[nH]cc1C(=O)N1CC2(C[C@H](NC(=O)[C@@H](C)C#N)CO2)C1 1069007669 JJZPJTKWOYSTFW-ONGXEEELSA-N 317.349 -0.023 30 20 DBED C=CCN[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1c1cn(C)cn1 1070529624 YOJIRWOSRSWNGL-WCQYABFASA-N 317.393 -0.244 30 20 DBED C=CCOCC(=O)N1CCC[C@@H](NC(=O)[C@H](COC)OC)C1 1070552597 ZFUUEBOIPYGMGD-OLZOCXBDSA-N 314.382 -0.042 30 20 DBED C=CCOCC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CCNC(=O)C2)C1 1070611253 JQJFYRIUMWRWSE-CHWSQXEVSA-N 323.393 -0.178 30 20 DBED Cn1nncc1C(=O)N1C[C@@H]2C[C@@H]3CN(CC#N)C[C@]2(C1)O3 1070794801 BTKGUJLPXOQZFI-MISXGVKJSA-N 302.338 -0.746 30 20 DBED C[C@H]1OCCC[C@@H]1C(=O)N1CCC(=O)NCCN(CC#N)CC1 1070956626 VLMRIILLTAIELN-KGLIPLIRSA-N 322.409 -0.024 30 20 DBED C[C@H]1CN(C(=O)CSCC#N)C[C@H]1NC(=O)c1nnn(C)n1 1071659345 WJAUBUKKPQLTKM-DTWKUNHWSA-N 323.382 -0.956 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)c2cc(C(N)=O)c[nH]2)C1 1073836349 BNZRKPGKKNYXOF-GFCCVEGCSA-N 304.350 -0.433 30 20 DBED C[C@H]1CN(C(=O)CNC(N)=O)CC[C@@H]1NC(=O)C#CC1CC1 1073946378 QCYWKKAJSDZVAQ-JQWIXIFHSA-N 306.366 -0.579 30 20 DBED N#CCN1CCO[C@H]2CCN(C(=O)c3nccnc3N)C[C@H]21 1074195560 WPXXWWFPCKYXGV-MNOVXSKESA-N 302.338 -0.502 30 20 DBED C=CCOCC(=O)N1CC[C@H](NC(=O)Cn2cncn2)[C@H](C)C1 1074254704 SXRPLLHZAYKZQU-OLZOCXBDSA-N 321.381 -0.166 30 20 DBED C=CCCC(=O)NCC[C@H](C)NC(=O)Cn1ccc(O)nc1=O 1075885993 XBMKPZJKJLLIRR-NSHDSACASA-N 322.365 -0.074 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2cc(N3CCCC3)ncn2)C1 1077678389 YLOJBARLPWCWQP-CHWSQXEVSA-N 316.365 -0.625 30 20 DBED C=CC(C)(C)C(=O)NCC[C@H](C)NC(=O)CS(=O)(=O)NC 1077743058 OMBOTQMMFVUOPL-JTQLQIEISA-N 319.427 -0.241 30 20 DBED N#Cc1ccc(CN2C[C@@H](O)[C@H](NC(=O)c3cnon3)C2)cc1 1077872176 DXZKUGOWFRYUHF-ZIAGYGMSSA-N 313.317 -0.084 30 20 DBED C=CCN[C@H]1C[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C12CCC2 1078819354 MLFVLGUOWIRWQT-NWDGAFQWSA-N 318.381 -0.420 30 20 DBED CNC(=O)NCC(=O)N(C)[C@@H]1CCCN(C(=O)[C@H](C)C#N)CC1 1078982403 SBUBVPXSAXAASL-VXGBXAGGSA-N 323.397 -0.085 30 20 DBED CCN(C(=O)CC(N)=O)C1CN(C(=O)c2cc(C#N)c[nH]2)C1 1079528293 CYUYAZQCHAUPBJ-UHFFFAOYSA-N 303.322 -0.565 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CO)(NC(=O)c2cnnn2C)CC1 1080839425 LGIPMYLAAUGSSK-SNVBAGLBSA-N 320.353 -0.942 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@H](CNC(=O)C2=COCCC2)C1 1081333026 NVKGGGJLKATAFK-KGLIPLIRSA-N 324.377 -0.181 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)c2cc[nH]n2)C[C@@H]1O 1081463972 USQKMXGKLZJVFH-AAEUAGOBSA-N 304.350 -0.382 30 20 DBED C#CCCCC(=O)N1C[C@H](CNC(=O)CN2CCCC2)[C@@H](O)C1 1081499400 LHHNZMHQTUDCNF-GJZGRUSLSA-N 321.421 -0.179 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2cnc3cc(C)nn3c2C)C1 1083684928 TWVCGTREECUDEP-KGLIPLIRSA-N 313.361 -0.246 30 20 DBED CC#CCN1CC[C@@H]2CN(C(=O)CC3CS(=O)(=O)C3)[C@@H]2C1 1084466902 HBEXOOVCPZMLBG-ZIAGYGMSSA-N 310.419 -0.023 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)c3cnn4c(=O)cc[nH]c34)[C@@H]2C1 1084707646 WEOFKLOIUQZMHJ-DGCLKSJQSA-N 311.345 -0.198 30 20 DBED CC(=O)N1CCOC[C@@H]1C(=O)N1C[C@H]2CCN(CC#N)C[C@H]2C1 1088207019 QHUPCGNOGBPKOR-QLFBSQMISA-N 320.393 -0.462 30 20 DBED N#Cc1nccc(N2C[C@@H](O)[C@H](NC(=O)CC3(O)CCC3)C2)n1 1090410753 HUIWZLUHCBXBCT-GHMZBOCLSA-N 317.349 -0.681 30 20 DBED CCc1cc(CC(=O)N[C@@H]2CCN(CC#N)C[C@H]2O)n(C)n1 1090445954 ONEYRBCCIMUNAX-ZIAGYGMSSA-N 305.382 -0.400 30 20 DBED C=CCCN1CC[C@@H](NC(=O)c2cnc(O)n(C)c2=O)[C@H](O)C1 1090485522 IPDQAUMBCWHXBR-VXGBXAGGSA-N 322.365 -0.773 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCN(CC#CC)C[C@H]2O)nn1 1090632060 BUAUKIRIHPWQRA-GXTWGEPZSA-N 303.366 -0.348 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2nc3ncccn3n2)[C@H](O)C1 1090657953 LTHGQPYRRHAAEQ-VXGBXAGGSA-N 314.349 -0.687 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(c2nccc(C)n2)C[C@H]1C 1090702717 LFZKRJDSRUIBJV-DGCLKSJQSA-N 315.377 -0.135 30 20 DBED N#Cc1cncc(NC2CC(CNC(=O)CCNC(N)=O)C2)n1 1092218394 FKHOKZUVHITEAU-UHFFFAOYSA-N 317.353 -0.287 30 20 DBED N#CCNC1CCC2(CC1)CN(C(=O)[C@H]1CCNC1=O)CCO2 1093403268 LXOPFYIDOGYGIB-UYJPIKCFSA-N 320.393 -0.224 30 20 DBED C#CCO[C@H](C)C(=O)NCCNc1ncnc2c1nnn2C 1093878373 NNCIPDJBCVQVAP-SECBINFHSA-N 303.326 -0.675 30 20 DBED C=CCCN1CC(N2C[C@@H](NC(=O)[C@H]3COCCO3)CC2=O)C1 1094710378 SUAVZQUFTXJPQA-GXTWGEPZSA-N 323.393 -0.621 30 20 DBED Cc1cc(C(=O)N[C@@H]2CC(=O)N(C3CN(CC#N)C3)C2)nn1C 1094713786 HUOHEHZRJZLPRT-LLVKDONJSA-N 316.365 -0.733 30 20 DBED C=C(C)CN1CC(N2C[C@@H](NC(=O)[C@H]3COC(=O)N3)CC2=O)C1 1094730333 YHBCZUCONQETAU-CMPLNLGQSA-N 322.365 -0.928 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)C3(F)CCOCC3)CC2=O)C1 1094744567 TXWMSOLDVCLIMY-GFCCVEGCSA-N 323.368 -0.460 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)Cc3[nH]cnc3C)CC2=O)C1 1094811923 VWOVMERRUZRZMR-LBPRGKRZSA-N 317.393 -0.152 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H]1CCN(C)S1(=O)=O 1096144491 PDZNXTFHRAKRIZ-VOAKCMCISA-N 311.407 -0.625 30 20 DBED N#Cc1nccc(N2CC[C@@H](NC(=O)CCc3cnn[nH]3)C2)n1 1096487912 BZGGWWMHIQYWQO-LLVKDONJSA-N 312.337 -0.206 30 20 DBED COCCOCCC(=O)N[C@H]1C[C@@H](N=c2cc[nH]c(C#N)n2)C1 1097197007 FJROQVHWRWOKKD-TXEJJXNPSA-N 319.365 -0.118 30 20 DBED C[C@H](CNC(=O)CN1C(=O)CCC1=O)Nc1cncc(C#N)n1 1097848542 UYKLRIWKCUMAMN-SECBINFHSA-N 316.321 -0.586 30 20 DBED C#CCN(CCO)C1CCN(C(=O)COC[C@@H]2CCOC2)CC1 1098490175 CXFNLGBYRPNNCI-OAHLLOKOSA-N 324.421 -0.042 30 20 DBED C=CCNCc1cn([C@H]2CCN(C(=O)[C@H]3COCCO3)C2)nn1 1098622792 QAPGNLDTCXLSDK-UONOGXRCSA-N 321.381 -0.258 30 20 DBED C[C@H](CCNC(=O)[C@H](C)CC(N)=O)N=c1cc[nH]c(C#N)n1 1099617258 SNSHKFQQGBANCA-NXEZZACHSA-N 304.354 -0.412 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)c2cc(C)[nH]n2)[C@@H](O)C1 1099709444 IICLLDFHNMGASQ-YPMHNXCESA-N 321.381 -0.815 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)c2nnn(C)c2C)[C@H](O)C1 1099749433 JHJGAXURLGRHRG-QWHCGFSZSA-N 323.397 -0.509 30 20 DBED Cc1cc[nH]c1C(=O)N[C@@H]1CCN(CC(=O)NCC#N)C[C@@H]1O 1099798706 AYYYYMPNFRSFQF-NEPJUHHUSA-N 319.365 -0.872 30 20 DBED C=C(Cl)CN1CC[C@H](NC(=O)CCNC(=O)NC)[C@@H](O)C1 1099813048 JJCNJYUDEGRJFB-QWRGUYRKSA-N 318.805 -0.391 30 20 DBED CN(CCNC(=O)C[C@H]1COC(=O)C1)c1nccnc1C#N 1100012482 WTEADPOROOVROQ-SNVBAGLBSA-N 303.322 -0.146 30 20 DBED C=CCCOCC(=O)N[C@H]1CCN(Cc2nncn2C)C[C@H]1O 1100136173 IPUXTYOSGDYYIE-QWHCGFSZSA-N 323.397 -0.541 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)C[C@H]2CCOC2)C1 1100213090 KOXRTQYXDROQSI-IYXRBSQSSA-N 307.394 -0.353 30 20 DBED C#CCC1(C(=O)NCC2CC(NCC(=O)NC(N)=O)C2)CCC1 1100396755 RBVMJKXCKPKBCR-UHFFFAOYSA-N 320.393 -0.141 30 20 DBED N#CCNC(=O)CNC1CC(CNC(=O)[C@@]2(F)CCOC2)C1 1100609995 XWWHEKDOLJAEJZ-QIMFLAQGSA-N 312.345 -0.761 30 20 DBED CCN(CCNC(=O)[C@H](COC)OC)c1ccnc(C#N)n1 1100712457 UFEMVFQAIIQGSN-NSHDSACASA-N 307.354 -0.048 30 20 DBED CNC(=O)CN1C[C@@H]2CN(C(=O)CSCC#N)C[C@]2(C)C1 1101135410 PFARUKJZJOIZRR-RISCZKNCSA-N 310.423 -0.231 30 20 DBED C#CCNC(=O)CC(=O)N(C)[C@H]1CCN(c2nccc(C)n2)C1 1102693837 ODPRTMYFUUBAFQ-ZDUSSCGKSA-N 315.377 -0.038 30 20 DBED CC[C@H](CNC(=O)CCn1cnnn1)Nc1cncc(C#N)n1 1103173998 XILAWPDXSBFVOH-SNVBAGLBSA-N 315.341 -0.268 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)[C@@H]1COCCN1C 1103922397 BMOJOEKITHBHFR-NEPJUHHUSA-N 318.381 -0.735 30 20 DBED CO[C@@H](C)C(=O)NC[C@H]1CN(c2nccnc2C#N)CCO1 1104292816 INZLZOVAOMEONI-QWRGUYRKSA-N 305.338 -0.295 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H]1CN(c2cnc(F)cn2)CCO1 1104330701 VEWHPGPJGCHHTC-NWDGAFQWSA-N 322.340 -0.025 30 20 DBED CC(C)[C@@H](CNC(=O)c1nnn(C)n1)N=c1cc[nH]c(C#N)n1 1105265877 GYIMGLRUVNHPSS-SECBINFHSA-N 315.341 -0.840 30 20 DBED C=C(C)CNCc1cn(C2CN(C(=O)c3nnn(C)n3)C2)nn1 1105303387 LYPRPTOSSXJJRF-UHFFFAOYSA-N 317.357 -0.836 30 20 DBED CC(=O)N[C@@H](C)C(=O)NC[C@@H](O)CNc1nc(C)cc(C#N)n1 1105735302 ONUFXHHHOQCALF-JOYOIKCWSA-N 320.353 -0.930 30 20 DBED Cc1conc1C(=O)NC[C@@H](O)CNc1cncc(C#N)n1 1105955005 KOEHSQLCCQVLFG-JTQLQIEISA-N 302.294 -0.153 30 20 DBED N#Cc1sc(NC[C@@H](O)CNC(=O)C(N)=O)nc1Cl 1106077696 PJAPBHZDHKAMBJ-BYPYZUCNSA-N 303.731 -0.958 30 20 DBED Cc1nocc1C(=O)NC[C@@H](O)CNc1nccnc1C#N 1106083381 MWWDEWPJHYOTSI-VIFPVBQESA-N 302.294 -0.153 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H](O)CNc1nccc(C)n1 1106154515 KGQWMYGFNDWWLA-KBPBESRZSA-N 317.393 -0.228 30 20 DBED CN(CC(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1)C1CCC1 1106155079 TZRNKKOFJLICCK-GFCCVEGCSA-N 318.381 -0.857 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@H]1C 1106346627 LFOBSTMZOQXWFL-CHWSQXEVSA-N 305.382 -0.711 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)Cc2cnoc2)C[C@H]1C 1106571551 IUQLGVKMLPFJQT-TZMCWYRMSA-N 318.377 -0.349 30 20 DBED C#CCCN1CC(n2cc(CNC(=O)Cc3cc[nH]n3)nn2)C1 1107150689 VUGMYTRCIDKPSS-UHFFFAOYSA-N 313.365 -0.260 30 20 DBED CN(C)C(=O)CC(=O)NC/C=C\CNc1ccc(C#N)nn1 1107537556 IQZIPWFODKDSEF-ARJAWSKDSA-N 302.338 -0.089 30 20 DBED C=CCNC(=O)CN1CCO[C@@](C)(CNC(=O)C(F)F)C1 1107671893 UTSPVIKQSUXGEY-ZDUSSCGKSA-N 305.325 -0.239 30 20 DBED CSCC(=O)NC[C@@]1(C)CN(CC(=O)NCC#N)CCO1 1107720753 QNFHIYNKEDYUKH-ZDUSSCGKSA-N 314.411 -0.804 30 20 DBED C[C@H](C#N)C(=O)NC[C@]1(C)CN(CC(=O)N(C)C2CC2)CCO1 1107818529 BJZOVXPABPKGLG-MLGOLLRUSA-N 322.409 -0.026 30 20 DBED CCCNC(=O)CN1CCO[C@@](C)(CNC(=O)[C@@H](C)C#N)C1 1107821020 HSDHRMQVMHZTSL-WFASDCNBSA-N 310.398 -0.121 30 20 DBED C=CCN1CCO[C@](C)(CNC(=O)CN2C(=O)CN(C)C2=O)C1 1108385371 FOTIZWXCJKKVET-OAHLLOKOSA-N 324.381 -0.727 30 20 DBED CC#CCCCC(=O)N[C@@H]1CC(=O)N(C2CN(C[C@H](C)O)C2)C1 1108564708 QHQFBRNXNYMTMQ-UONOGXRCSA-N 321.421 -0.038 30 20 DBED N#CCNC(=O)CN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cc[nH]n1)C2 1108625290 ZVSZTJXJEIRXPA-SRVKXCTJSA-N 316.365 -0.368 30 20 DBED N#CCNC(=O)CN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cc[nH]n1)C2 1108625291 ZVSZTJXJEIRXPA-TUAOUCFPSA-N 316.365 -0.368 30 20 DBED C[C@H](CN(C)c1nccnc1C#N)NC(=O)C[C@@H]1CCNC1=O 1109114782 OUHPZBXAWIURJF-MNOVXSKESA-N 316.365 -0.185 30 20 DBED C[C@]1(NC(=O)CNC(N)=O)CCN(c2nccnc2C#N)C1 1110709301 WPHQBKGJOVDJMZ-ZDUSSCGKSA-N 303.326 -0.898 30 20 DBED CCOCC(=O)N(C)[C@H]1CN(c2nc(C)cc(C#N)n2)C[C@@H]1O 1111169910 OQYHNJDKZPYTQN-STQMWFEESA-N 319.365 -0.299 30 20 DBED CN(C(=O)CC(C)(C)O)[C@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1111181355 RRHAUBGWBRDRBV-RYUDHWBXSA-N 319.365 -0.483 30 20 DBED N#Cc1nc(=NCCN(CCO)C(=O)[C@@H]2CCCO2)cc[nH]1 1111412719 AUJUDDKBOQKJQH-NSHDSACASA-N 305.338 -0.818 30 20 DBED N#Cc1c[nH]ccc1=NCCN(CCO)C(=O)Cc1ncc[nH]1 1111497914 UHMPQWGIDOUZQX-UHFFFAOYSA-N 314.349 -0.426 30 20 DBED Cc1nn[nH]c1C(=O)N(CCO)CCNc1ccc(C#N)cn1 1111535409 QUHCKGJSSHDBMO-UHFFFAOYSA-N 315.337 -0.074 30 20 DBED CO[C@H](C)C(=O)NC1(CO)CCN(c2cncc(C#N)n2)CC1 1112651307 LVVWAOUJAWDRHX-LLVKDONJSA-N 319.365 -0.169 30 20 DBED CC(C)NC(=O)NC(=O)[C@@H](C)N1CCN(C(=O)[C@@H](C)C#N)CC1 1112718416 JQMDYZVGSWIVEU-NWDGAFQWSA-N 323.397 -0.087 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2onc(C)c2C)CC1 1112995965 GLYISQLOXKUATM-UHFFFAOYSA-N 304.350 -0.201 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)c2n[nH]cc2F)CC1 1113314605 NRBUEEVEPHKOCA-SNVBAGLBSA-N 309.345 -0.003 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H](C)N(C)c1nccc(C)n1 1113566898 DSJKLZCMTKQVKT-LBPRGKRZSA-N 303.366 -0.135 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)Cc2[nH]cnc2C)CC1 1113583395 JDWXDAMRPDTLEI-CYBMUJFWSA-N 317.393 -0.457 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3nccn3CC)[C@H]2C1 1114189435 OWLBJMJRVOTARU-IMRBUKKESA-N 315.377 -0.688 30 20 DBED CCCNC(=O)[C@H](C)NC(=O)CCN/C(O)=C1\N=CC=CC1=O 1120716119 IZFDBCIFNYYWJG-FIKMJJSBSA-N 322.365 -0.066 30 20 DBED Cc1ncncc1C(=O)NC[C@H](CO)Nc1ccc(C#N)nn1 1121086008 IGCZHKXQSHGLIB-LLVKDONJSA-N 313.321 -0.351 30 20 DBED C[C@H]1CCCN1CC(=O)NC[C@H](CO)Nc1nccnc1C#N 1122527240 NZXUAGYLATVMCP-NWDGAFQWSA-N 318.381 -0.278 30 20 DBED C[C@@H]1C[C@H](Nc2ccc(C#N)nn2)CN1C(=O)CCNC(N)=O 1123230275 HQOIGUHNRKPQHC-KOLCDFICSA-N 317.353 -0.192 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]cc1C#N)C(=O)[C@H]1CCOC1 1124140736 MMGKCMBCHDHRBC-WCQYABFASA-N 304.350 -0.357 30 20 DBED CO[C@H](C)C(=O)NCCNCC(=O)NCC#Cc1ccccc1 1124273686 SCJRUVXFRAXGGX-CQSZACIVSA-N 317.389 -0.105 30 20 DBED CN(C[C@@H](O)CNc1cncc(C#N)n1)C(=O)C(C)(C)C(N)=O 1124554039 FFHAYGCOKAMKJM-JTQLQIEISA-N 320.353 -0.909 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)c1cn(C)nc1C 1124968209 WQJIMZSZQVNIKD-UHFFFAOYSA-N 322.369 -0.940 30 20 DBED C#CCO[C@@H](C)C(=O)NCCNC[C@@H]1CCCS(=O)(=O)C1 1127046839 UVQHGYYESWXPIL-STQMWFEESA-N 316.423 -0.445 30 20 DBED O=C(NCCNCC#Cc1ccccc1)C1CS(=O)(=O)C1 1128108560 SHHVGSWLYIKWCO-UHFFFAOYSA-N 306.387 -0.212 30 20 DBED C=CCCN[C@@H]1CN(C(=O)c2cnn[nH]2)C[C@@H]1n1ccnn1 1129923474 DSKANLXOVYGGHK-NEPJUHHUSA-N 302.342 -0.372 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CCn2ccnc2C1 1130484133 FULMYDXIULUSSJ-QWHCGFSZSA-N 319.409 -0.158 30 20 DBED CC(=O)N[C@@H](C)C(=O)N1C[C@@H]2C[C@@H]3CN(CC#N)C[C@]2(C1)O3 1131177113 DWCSHNGZOAFDET-MUYACECFSA-N 306.366 -0.664 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)C4(C(=O)NC)CC4)C[C@@]3(C1)O2 1131276384 ATUGIVJGVZXEOK-PBFPGSCMSA-N 317.389 -0.553 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)CCCCC(N)=O)C[C@@]3(C1)O2 1131285694 FDEVSHDXAGACJU-JJRVBVJISA-N 319.405 -0.033 30 20 DBED C[C@H]1CC[C@@H](NC(=O)COCc2nncn2C)CN1CC#N 1132392325 IDNQEBLDELUUNX-NWDGAFQWSA-N 306.370 -0.176 30 20 DBED C[C@@H]1CCN(C(=O)CC(C)(C)O)C[C@H]1CNCC(=O)NCC#N 1132782533 NYRVGFXTKVKFHS-CHWSQXEVSA-N 324.425 -0.139 30 20 DBED C#CCNC[C@@H]1CN(C(=O)CN2C(=O)CN(C)C2=O)CC[C@@H]1C 1133305817 GGJVKPJTCQIDGQ-QWHCGFSZSA-N 320.393 -0.412 30 20 DBED Cn1cc(C(C)(C)C(=O)NCCNCC(=O)NCC#N)cn1 1136103981 RVICRDUZWXTBIP-UHFFFAOYSA-N 306.370 -0.957 30 20 DBED C#CCN1CCC(C(=O)N[C@@H](C)C[C@@H](C)NCC(=O)NC)CC1 1146569641 BORHIYDACDQXFR-KGLIPLIRSA-N 322.453 -0.050 30 20 DBED COCC#CCN1CCC2(C1)CN(C(=O)CS(C)(=O)=O)C2 1147082634 CTIBBCIZMXTOTQ-UHFFFAOYSA-N 314.407 -0.785 30 20 DBED C#CCNC(=O)CC(=O)N1CC2(CCN(CCOCC=C)C2)C1 1147368796 MHHVYUFOVGJQTB-UHFFFAOYSA-N 319.405 -0.137 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)c1c(OC)ccnc1O 1148018799 JJTXUWJBMQHCHJ-JTQLQIEISA-N 322.365 -0.194 30 20 DBED C=CCNC(=O)CNCCNC(=O)CNC(=O)c1ccccc1 1148716269 WWWGDNUHQAFMHJ-UHFFFAOYSA-N 318.377 -0.576 30 20 DBED C=CCO[C@H](C)C(=O)NCCNCC(=O)NCCOCC 1153135641 WVWXHJSOOJHRKB-GFCCVEGCSA-N 301.387 -0.564 30 20 DBED C[C@@H](C#N)C(=O)NCCC1=CCN([C@H](C)C(=O)NC(N)=O)CC1 1159595429 YQVQQZFMPAEXQS-WDEREUQCSA-N 321.381 -0.132 30 20 DBED C=CCN1CC[C@H](N2CC=C(CCNC(=O)C(N)=O)CC2)C1=O 1161096385 IJYXKBPDXHAHIK-ZDUSSCGKSA-N 320.393 -0.603 30 20 DBED CC#CCNCC1(CCNC(=O)CS(=O)(=O)N(C)C)CC1 1167923336 VYXQBDOEIYKRSM-UHFFFAOYSA-N 315.439 -0.223 30 20 DBED CC#CCNCC1(CCNC(=O)C[C@@H]2CC(=O)NC2=O)CC1 1168580983 QJEODEUMFRFTJU-GFCCVEGCSA-N 305.378 -0.061 30 20 DBED CC(C)C(=O)N(C)CC(=O)N1CC[C@@H]2OCCN(CC#N)[C@@H]2C1 1177030397 NLUFQKKNSGXMLV-KGLIPLIRSA-N 322.409 -0.074 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCCCCNC(=O)CNC(C)=O 1177775749 PAXQXSONCYQVQS-CYBMUJFWSA-N 324.425 -0.473 30 20 DBED COCC#CCNCCCCCCNC(=O)[C@H]1CN(C)C(=O)N1 1179239530 GMIAXGJKFHQFLI-CQSZACIVSA-N 324.425 -0.074 30 20 DBED COCC#CCN[C@H]1CCN(C(=O)CN2C(=O)CCC2=O)[C@H]1C 1180087933 BHOXTVMNBCNKAW-STQMWFEESA-N 321.377 -0.636 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)CCc2nc[nH]n2)C1 1181917054 LPHOBYWNEBXTPL-VXGBXAGGSA-N 320.397 -0.382 30 20 DBED CN1CCC(CC(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)CC1 1186081855 BWFGQMBQMNPAAC-CQSZACIVSA-N 321.425 -0.451 30 20 DBED C#CCCCC(=O)N1CC[C@H](N(C)[C@H](C)C(=O)NC(N)=O)C1 1189925666 DUOLATMBHKNIGL-NEPJUHHUSA-N 308.382 -0.094 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)c2cncs2)C1 1191362182 VQXYJRBBGIVCMV-HBNTYKKESA-N 324.406 -0.391 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)Cc2cc(C)on2)C1 1191863057 AYGJODWLSDDRDN-ZIAGYGMSSA-N 307.350 -0.663 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(Cc2nnc(CC)n2C)C[C@H]1O 1192503457 DTBSSYAXJSWNDR-CHWSQXEVSA-N 319.409 -0.158 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CN(CCCN2CCCC2=O)C[C@H]1O 1192871631 VFKQHEQSBBIJND-HUUCEWRRSA-N 319.405 -0.426 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2nc(C)no2)C[C@H]1O 1192885998 JXZPLPQUGZRWEM-VXGBXAGGSA-N 308.338 -0.921 30 20 DBED CN(CC(=O)NCC#N)[C@@H]1CCN(C(=O)CCCCC(N)=O)C1 1193390920 WIWQNKCLUMKKBT-GFCCVEGCSA-N 323.397 -0.795 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)c2ccc(OC)nn2)C1 1197466368 FNZFWFWPPLXJHN-CHWSQXEVSA-N 322.365 -0.537 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)[C@H]2CCN(C)C2)CCCO1 1202058607 LLVWEOYNLTUQTJ-JKSUJKDBSA-N 323.437 -0.205 30 20 DBED C#CCN[C@@H]1C[C@H](NC(=O)CNS(=O)(=O)CC)C12CCC2 1202996854 UBRPSUWCNKMVHI-NEPJUHHUSA-N 313.423 -0.424 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CCN(C(=O)[C@H]2CCN(C)C2)CC1 1203699355 IQHAHSMDJBSETM-KGLIPLIRSA-N 320.437 -0.343 30 20 DBED COCC#CCNCC1CCN(C(=O)[C@H]2COCCO2)CC1 1204552131 LUIYXYSTWAKOAT-OAHLLOKOSA-N 310.394 -0.120 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)[C@@H](CC)N(C)C)CC1 1205515749 CIHPSDISPWWBFW-OAHLLOKOSA-N 322.453 -0.096 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)c2cc(CC)[nH]n2)C1 1207383257 FYDZSRGMBZVAGU-CYBMUJFWSA-N 317.393 -0.084 30 20 DBED C#CCOCCC(=O)N1CCC[C@H](NCC(=O)NCC=C)C1 1208032174 MHGCIVUTSVMKIP-AWEZNQCLSA-N 307.394 -0.091 30 20 DBED N#CCNC(=O)CN[C@H]1CCCN(C(=O)[C@@]23COC[C@@H]2C3)C1 1208084602 RJDOBGHFSGLQQA-HUBLWGQQSA-N 306.366 -0.757 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1NC(=O)C(C)(C)NS(C)(=O)=O 1209283982 UZYJRZZDOAQCGU-NXEZZACHSA-N 302.400 -0.726 30 20 DBED CO[C@@H]1CN(Cc2nnnn2C(C)C)C[C@H]1NC(=O)[C@H](C)C#N 1212039356 KXZCOHRRXKWYCL-IJLUTSLNSA-N 321.385 -0.271 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2cnon2)C[C@H]1OC 1213961913 WANRDKTVWXMMCG-RAIGVLPGSA-N 310.354 -0.024 30 20 DBED C[C@@H]1CN(C(=O)C[C@@](C)(O)C2CC2)C[C@H]1NCC(=O)NCC#N 1214452254 KLEBBLBTXKWNEF-AXAPSJFSSA-N 322.409 -0.386 30 20 DBED C=C[C@@](C)(O)CC(=O)N1C[C@@H](NCc2nc(=O)n(C)[nH]2)[C@H](C)C1 1214520490 JNMWSTKGSUISBK-UEKVPHQBSA-N 323.397 -0.628 30 20 DBED C#CCCN[C@@H]1CN(C(=O)CC[C@H]2NC(=O)NC2=O)C[C@H]1C 1216714030 QKLDVZFNPPYKRC-IJLUTSLNSA-N 306.366 -0.566 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CCCC(=O)NCC 1218990231 VGVNFASCFOPBCU-UONOGXRCSA-N 307.394 -0.162 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(CCc2cnn(C)c2)C[C@@H]1O 1219539526 PAMQEJIJLUPUAD-CABCVRRESA-N 304.394 -0.073 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@@H](C(C)C)N2CCCC2=O)C1 1221167329 JBIFMLKWZCSQEP-VNHYZAJKSA-N 307.394 -0.572 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCO1 1224630359 RYWVHTIFFGSQRJ-JHJVBQTASA-N 308.382 -0.178 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)CC(=O)N(C)C)CC1 1229516534 JFZGQYWGKHJEFL-UHFFFAOYSA-N 310.398 -0.653 30 20 DBED CC#CCN1CCS(=O)(=O)[C@H](CCNC(=O)CCOC)C1 1230404564 RAXCEYDDBCRMIF-CYBMUJFWSA-N 316.423 -0.349 30 20 DBED C#CCN1CCS(=O)(=O)[C@@H](CCNC(=O)c2cncnc2)C1 1230449700 JPRSQSKBDFNAPE-ZDUSSCGKSA-N 322.390 -0.671 30 20 DBED N#CCN1CCS(=O)(=O)[C@H](CCNC(=O)c2ncc[nH]2)C1 1230460975 VVSYCXCCZWMUKX-SNVBAGLBSA-N 311.367 -0.848 30 20 DBED C=CCNC(=O)[C@H](C)N(C)CCCNC(=O)[C@@H](C)NC(C)=O 1233590556 ZCHCEBMCRXEICE-NEPJUHHUSA-N 312.414 -0.360 30 20 DBED C#CCCN1CC[C@@H]1CN(C)C(=O)CN(C)S(C)(=O)=O 1234975899 ROZDPSMWMFBTFW-GFCCVEGCSA-N 301.412 -0.566 30 20 DBED C=CCNC(=O)Cn1nnnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1262409672 HDTYVHHGERYSRT-SMDDNHRTSA-N 322.369 -0.641 30 20 DBED N#CCNC(=O)CNC(=O)c1ccc(N2CCOCC2)nc1 1322595297 PEJGTUPSFITRGU-UHFFFAOYSA-N 303.322 -0.712 30 20 DBED C#CCOCCNC(=O)C(=O)NC1CCN(CC(=C)C)CC1 1323246405 MWKAPSOGWGMRBR-UHFFFAOYSA-N 307.394 -0.091 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)NC[C@]1(C)CCCO1 1323373755 NYHQKQDFSWJGJF-ZDUSSCGKSA-N 318.395 -0.611 30 20 DBED COC(=O)[C@@H]1CCN(C(=O)C(=O)N2CC[C@@](F)(C#N)C2)[C@@H]1C 1325460491 RQZSXTCYUGZMGN-GPCCPHFNSA-N 311.313 -0.139 30 20 DBED CC(=NN=Cc1c(N)n(C)c(=O)n(C)c1=O)c1cnccn1 1331093188 CFUYGHGYWPBAGE-UHFFFAOYSA-N 301.310 -0.701 30 20 DBED CN(C)C[C@H]1CCN(C(=O)C(=O)N2CCN(CCC#N)CC2)C1 1332022781 DWWDTADMJLFXDO-CQSZACIVSA-N 321.425 -0.546 30 20 DBED COc1ncccc1CNC(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1332195894 ZWRQGVDGDSTUKH-HNNXBMFYSA-N 318.333 -0.417 30 20 DBED CC(C)CNC(=O)CNC(=O)C(=O)Nc1ccc(C#N)cn1 1347659959 YSRSFGWRJYHYIA-UHFFFAOYSA-N 303.322 -0.220 30 20 DBED C#CCN(C)C(=O)C(=O)N1CC[C@@](C)(NC(=O)C(F)(F)F)C1 1348700895 JWNVHCBNWYLQAR-GFCCVEGCSA-N 319.283 -0.253 30 20 DBED C[C@H](CO)[C@H]1CCCCN1C(=O)C(=O)N1CC[C@](O)(CC#N)C1 1350278030 DMKQDGOJQUGQNG-XJKCOSOUSA-N 323.393 -0.127 30 20 DBED Cc1nc(CC(=O)NCCn2cc(C#N)c(O)nc2=O)cs1 1363288656 RWBNQBMJPXGAIG-UHFFFAOYSA-N 319.346 -0.056 30 20 DBED N#Cc1cn(CCC(=O)N2CCCCC[C@@H]2CO)c(=O)nc1O 1363468126 YVEHJQMYZUWSGB-GFCCVEGCSA-N 320.349 -0.026 30 20 DBED N#CCC1(CS(=O)(=O)N2CCC[C@@H](S(N)(=O)=O)C2)CC1 1363832013 LQRZXEBEZQDKOR-SNVBAGLBSA-N 321.424 -0.237 30 20 DBED CN(CCC#N)C(=O)CCN1CCCC[C@@H]1CS(N)(=O)=O 1364486397 VINDJICWOAVSHM-GFCCVEGCSA-N 316.427 -0.108 30 20 DBED N#Cc1cccc(CNC(=O)CN2CCOC[C@@H]2CC(N)=O)c1 1365308915 AYHDKTAHUZRQIA-AWEZNQCLSA-N 316.361 -0.249 30 20 DBED C=C(Br)CN(C)CCNC(=O)CS(C)(=O)=O 1377138415 XRDDGNMKXIVYLY-UHFFFAOYSA-N 313.217 -0.012 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)c2ncccc2O)C1 1380133681 MMNQLXGJACYRIX-MEBBXXQBSA-N 318.333 -0.360 30 20 DBED C[C@@H](C#N)C(=O)NCCN1CCN(Cc2cncn2C)CC1 1389412591 UBTZCPBECYRCKH-ZDUSSCGKSA-N 304.398 -0.186 30 20 DBED CNC(=O)NCC(=O)N[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 1397125620 DQJDWOUTMOVWIR-JTQLQIEISA-N 318.337 -0.854 30 20 DBED C[C@H](C#N)C(=O)N1CC([C@@H](C)NC(=O)CNC(=O)C2CC2)C1 1404638821 IVSKQLUKCIPYCB-NXEZZACHSA-N 306.366 -0.365 30 20 DBED C=C(Cl)CN1CC(O)(CNC(=O)[C@H]2CC(=O)N(C)C2)C1 1407403809 KTCUOPHITQAUJA-JTQLQIEISA-N 301.774 -0.620 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@](C)(NC(=O)CCn2ccnn2)C1 1410973236 HFZRTMMMZIZKHU-SMDDNHRTSA-N 304.354 -0.065 30 20 DBED CO[C@H](C1CC1)[C@@H](C)NS(=O)(=O)N1CCO[C@@H](C#N)C1 1413342381 PVCOXQSCWJBQKR-USWWRNFRSA-N 303.384 -0.141 30 20 DBED Cn1nncc1NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1413678511 YWDGUZVCYYOYBQ-UHFFFAOYSA-N 320.334 -0.396 30 20 DBED C[C@@H](CNC(=O)Cn1nnc2c1CCCC2)NC(=O)[C@@H](C)C#N 1428820319 GLHXMUISCMTQRC-QWRGUYRKSA-N 318.381 -0.063 30 20 DBED CCN(CCNC(=O)C[C@H]1CCN(C)C1=O)C(=O)[C@@H](C)C#N 1429611622 NJCDVMUEMYCOMA-NWDGAFQWSA-N 308.382 -0.021 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](C)CNC(=O)CNC(=O)c1ccccn1 1433487627 CDZPTLDXZFYOBG-WDEREUQCSA-N 317.349 -0.408 30 20 DBED Cc1cnn(CC(=O)NC[C@@]2(O)CCN(C(=O)[C@H](C)C#N)C2)c1 1434336545 LQLLMOXJUBTNQN-DOMZBBRYSA-N 319.365 -0.569 30 20 DBED CC(=O)NCC(=O)N1CCC[C@@H](CN(C)C(=O)[C@H](C)C#N)C1 1447267643 OFOXUVAYQPNKGY-YPMHNXCESA-N 308.382 -0.021 30 20 DBED CC(=O)N1CC(C(=O)N2CC[C@@H](N(C)C(=O)[C@H](C)C#N)C2)C1 1453646493 XKWALLYIBIWMCI-ZWNOBZJWSA-N 306.366 -0.316 30 20 DBED CNC(=O)NCCC(=O)N1CCC[C@@H](N(C)C(=O)[C@H](C)C#N)C1 1454976647 AUBMVYRJVHEXEC-VXGBXAGGSA-N 323.397 -0.085 30 20 DBED C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCN 1574921263 WOBULWNAMIUKHB-SNVBAGLBSA-N 316.431 -0.141 30 20 DBED N#Cc1ncc(N2CCC[C@@H](CO)[C@H]2CO)nc1-c1nn[nH]n1 1581881863 CRNSNUVOFSVIEM-WCBMZHEXSA-N 316.325 -0.902 30 20 DBED N#Cc1ncc(N[C@H](CO)[C@@H]2CCCOC2)nc1-c1nn[nH]n1 1581882491 AUBDEBZTGCVMMU-PSASIEDQSA-N 316.325 -0.272 30 20 DBED C#CC[C@H](NC(=O)Cc1ccc(S(N)(=O)=O)s1)C(=O)O 1588407714 NCEXNAZCSRDIHQ-QMMMGPOBSA-N 316.360 -0.469 30 20 DBED CC#CC[C@H](CO)NC(=O)Cc1noc(C)c1-c1nn[nH]n1 1588737458 FAOQQTPSTHAGEU-SECBINFHSA-N 304.310 -0.404 30 20 DBED C=CCOCC(=O)NC[C@H]1C[C@H](NC(=O)[C@H]2C[C@H]2C(=O)O)C1 1588851038 QIHSQINGPWIQRQ-FIQHERPVSA-N 310.350 -0.079 30 20 DBED CN1CCN(C(=O)NC2CCN(CC#N)CC2)C[C@@H](C(=O)O)C1 1598608385 XTVQUNXWYQZGHJ-LBPRGKRZSA-N 323.397 -0.368 30 20 DBED N#Cc1c(COC(=O)C[C@@H]2NC(=O)NC2=O)cccc1C(=O)O 1601083859 VWASKWWQHVZPEJ-JTQLQIEISA-N 317.257 -0.102 30 20 DBED N#Cc1ncn(CCNC(=O)NCc2ccc(C(=O)O)o2)n1 1601136360 OYLYFUDMZSWXKF-UHFFFAOYSA-N 304.266 -0.060 30 20 DBED C[C@](Cn1cccn1)(NS(=O)(=O)CCCC#N)C(=O)O 1604243876 IPODTMBGSVFMQR-LLVKDONJSA-N 300.340 -0.050 30 20 DBED N#CCN1CCOC[C@H]1CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 1606350487 YXLOFHYMHIJEDB-SECBINFHSA-N 316.325 -0.851 30 20 DBED O=S(=O)(NCC#CCO)c1cccc(F)c1-c1nn[nH]n1 1607061106 FWXVJJVBVTZBPP-UHFFFAOYSA-N 311.298 -0.720 30 20 DBED C#CCNC(=O)CN(CCCNC(=O)c1cncn1C)C1CC1 1752265834 GESOJNGBHUGXKC-UHFFFAOYSA-N 317.393 -0.246 30 20 DBED C[C@@H](C#N)C(=O)NCCCN1CCN(Cc2cn(C)nn2)CC1 1752341116 GIORNFFYPZSZTD-ZDUSSCGKSA-N 319.413 -0.401 30 20 DBED CC#CCN1CCN(CCNC(=O)C(=O)NCC2CC2)CC1 1752374676 NIOWMSOLFLWSMQ-UHFFFAOYSA-N 306.410 -0.730 30 20 DBED C#CCNC(=O)CNC[C@H]1CCCN(C(=O)[C@H]2CCN(C)C2)C1 1752812144 IHVGMWSAONRQCV-CABCVRRESA-N 320.437 -0.484 30 20 DBED Cc1n[nH]c(C)c1[C@@H](C)C(=O)NCCN(C)CC(=O)NCC#N 1753067845 XJFYQRBQWDYUQS-SNVBAGLBSA-N 320.397 -0.182 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@@H](CNC(=O)c2ccon2)C1 1753119262 LSUHOAZDABGHEU-RYUDHWBXSA-N 304.350 -0.136 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@H](CNC(=O)CCN(C)CC)C1 1753138884 ZVJYZASSOVIMPS-HUUCEWRRSA-N 322.453 -0.096 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H](O)CNCc1nnc(C)s1 1753911214 MQOCJROQHLTHRZ-ONGXEEELSA-N 312.395 -0.548 30 20 DBED C#CCNC(=O)CNC[C@H](O)CNC(=O)C1(C)CCCCC1 1753925982 QXULTOQCKIDJIH-ZDUSSCGKSA-N 309.410 -0.227 30 20 DBED C#CCCNC[C@H](O)CNC(=O)c1ccccc1-n1ccnn1 1753947094 NJYXHGKBHWLNFW-ZDUSSCGKSA-N 313.361 -0.029 30 20 DBED C[C@@H](CCNCC(=O)NCC#N)NC(=O)[C@@]12CCCN(CC1)C2 1754017835 JHDGJPWIOHXHAL-BBRMVZONSA-N 321.425 -0.404 30 20 DBED CC(C)C#CC(=O)N[C@@H](C)CNC[C@@H](O)CN1C(=O)CCC1=O 1754266486 WAXVNZJCBOTICM-QWHCGFSZSA-N 323.393 -0.750 30 20 DBED C=CCNC(=O)CN1C[C@H]2C[C@H]1[C@@H]2NC(=O)CCn1cccn1 1754420237 FQCQCCBAZFGMFK-DVOMOZLQSA-N 317.393 -0.236 30 20 DBED C=CCNC(=O)CNC[C@H](NC(=O)c1ncccn1)C1CC1 1754455091 MDUQHKZVWNMTKV-LBPRGKRZSA-N 303.366 -0.123 30 20 DBED C=CCNC(=O)NC(=O)CNC1(CNC(=O)C(C)(C)F)CC1 1754506522 JKAIYKIARVDQNX-UHFFFAOYSA-N 314.361 -0.015 30 20 DBED C#CCNC[C@H]1CN(C(=O)CN2C(=O)CN(C)C2=O)C[C@@H]1C 1754827159 MYKVEQFTJPOJQE-RYUDHWBXSA-N 306.366 -0.802 30 20 DBED C=CCOCCN1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1ncnn1 1754865286 JLMQZZCBEGRCDW-UONOGXRCSA-N 320.397 -0.059 30 20 DBED CC(=O)N1CC[C@](C)(C(=O)N2CCO[C@H](CNCC#N)C2)C1 1755011729 BMPDBJBUCVOWQQ-HIFRSBDPSA-N 308.382 -0.415 30 20 DBED CC#CCN[C@]1(CO)CCCN(C(=O)C[C@H](C)NC(N)=O)C1 1755083493 SBHRQHOUFGMYHN-SWLSCSKDSA-N 310.398 -0.600 30 20 DBED COCC#CCN1CCC(CO)(NC(=O)c2cnc(C)[nH]2)CC1 1755179650 NZYONCLKLWAGBX-UHFFFAOYSA-N 320.393 -0.075 30 20 DBED C#CCN[C@H](C)[C@H]1CN(C(=O)CCN2C(=O)CCC2=O)CCO1 1755443078 AMNLHPYOVJJRGP-CHWSQXEVSA-N 321.377 -0.636 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H](CO)NCc1cncc(C)c1 1755627145 DJZKQRGSVQMQGO-UKRRQHHQSA-N 305.378 -0.005 30 20 DBED COCC#CCN[C@@H](CO)CNC(=O)c1cncc2nc[nH]c12 1755629823 VJUIFLBOUXBSNA-LLVKDONJSA-N 317.349 -0.712 30 20 DBED CC[C@H](F)C(=O)N(C)C[C@H](O)CN(C)CC(=O)NCC#N 1755805406 WLAUWCZJSSGZIU-MNOVXSKESA-N 302.350 -0.875 30 20 DBED C=CCN(C)C[C@H](O)CN(C)C(=O)[C@]1(C)CCCS1(=O)=O 1755806410 DWOVMAQTGCGBFB-JSGCOSHPSA-N 318.439 -0.109 30 20 DBED C#CCOCCC(=O)NCC1CC(NC(=O)c2nc[nH]n2)C1 1755941429 GSSRFKMIXCTLRX-UHFFFAOYSA-N 305.338 -0.531 30 20 DBED C#CCCCC(=O)NC1(CCO)CN(C(=O)CN(C)C(C)=O)C1 1756079517 FTTJKTLIZJZOGM-UHFFFAOYSA-N 323.393 -0.652 30 20 DBED C#CCOCCC(=O)N[C@@H]1CC[C@@H](C)N(C(=O)CNC(N)=O)C1 1756792946 IKVWKYHKBHRKIA-VXGBXAGGSA-N 324.381 -0.810 30 20 DBED C=CCN(CCNS(=O)(=O)c1cnn(C)c1)CCC(=O)O 1776179058 JMZIOTVPBCIPCT-UHFFFAOYSA-N 316.383 -0.339 30 20 DBED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCCN3C)[C@H]2C1 1784829258 LCWJDHABUDMEAG-AJNGGQMLSA-N 319.405 -0.307 30 20 DBED CC(C)(C)[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC#N)C2 1792910556 FHARDNANCRJFAQ-ZMJPVWNMSA-N 323.393 -0.103 30 20 DBED C#CC(=O)N1CC2(CCCN2C(=O)CCN2CCOC2=O)C1 1843858229 BPDKHURVAGEEHD-UHFFFAOYSA-N 305.334 -0.335 30 20 DBED C#CCNC(=O)CSc1nnc(N2CCOCC2)n1CC 8249787 SREFLUUCFPQBEP-UHFFFAOYSA-N 309.395 -0.024 30 20 DBED N#Cc1cc(F)ccc1NC(=O)C(=O)N1CCN(CCO)CC1 186287746 RWSNCLQYJFMXIP-UHFFFAOYSA-N 320.324 -0.228 30 20 DBED C[C@H](NC(=O)CN1CCOC[C@H]1C#N)C(=O)N1CCCCC1 245424657 KFGJOWOTRVKQEY-QWHCGFSZSA-N 308.382 -0.272 30 20 DBED N#CCCCNC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 273427791 ANYNXOYSBXRSPZ-UHFFFAOYSA-N 307.354 -0.577 30 20 DBED COC(=O)CC[C@@H](NS(=O)(=O)c1ccc(C#N)o1)C(=O)O 287317678 UVHAHQTWGFQHRZ-MRVPVSSYSA-N 316.291 -0.164 30 20 DBED C=CCCOCCNC(=O)C(=O)N1C[C@@H](C)O[C@@H](COC)C1 289459487 UXYBWWPAVWZSKW-CHWSQXEVSA-N 314.382 -0.042 30 20 DBED COC(=O)CNC(=O)CN1CCN(c2ccc(C#N)cn2)CC1 299064321 LRJCDMFUPJYLCQ-UHFFFAOYSA-N 317.349 -0.636 30 20 DBED CN1CCO[C@@H]2CN(/C(O)=N/CCC3(O)CCOCC3)C[C@@H]21 329389839 URPVIWJIFALNEF-QWHCGFSZSA-N 313.398 -0.153 30 20 DBED CNC(=O)[C@@H](CO)NS(=O)(=O)CC1(C#N)CCCCC1 331090297 HGRWBPGMZHLWEY-SNVBAGLBSA-N 303.384 -0.513 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)NCC1(CS(C)(=O)=O)CC1 331741675 GEIVGTIWIVQJAB-SNVBAGLBSA-N 323.440 -0.120 30 20 DBED C[C@@H]1C[C@H](NS(=O)(=O)N2CCO[C@H](C#N)C2)CN1C1CC1 336949030 RDTJMZTWBNNOAT-NTZNESFSSA-N 314.411 -0.330 30 20 DBED C=CCN1CC[C@H](N2CCC[C@H](CNS(N)(=O)=O)C2)C1=O 337189651 RGLVNVSHEDHJKF-NEPJUHHUSA-N 316.427 -0.722 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1CC[C@H](O)[C@@H](C)C1 337192205 TWTNCYIYJVPKRU-RYUDHWBXSA-N 305.400 -0.204 30 20 DBED CN(CC(=O)N1CCOCC1)S(=O)(=O)c1ccc(C#N)nc1 338424689 PLSLZMGUTSECMT-UHFFFAOYSA-N 324.362 -0.567 30 20 DBED CN(CCC#N)S(=O)(=O)NC[C@@](C)(O)C(=O)OC(C)(C)C 342497756 AXXYJYGQFGLAAH-GFCCVEGCSA-N 321.399 -0.241 30 20 DBED C=CCOC[C@@H]1NC(=O)N(CCCN2C(=O)CCC2=O)C1=O 348558667 WOLUPFLHLLSRDQ-JTQLQIEISA-N 309.322 -0.352 30 20 DBED C=CCCOCCN1C(=O)[C@@H]2CS(=O)(=O)CCN2C1=O 349109796 LBWAWUABQZNZHE-JTQLQIEISA-N 302.352 -0.360 30 20 DBED C[C@H](C#N)N(C)S(=O)(=O)CCCCS(=O)(=O)N(C)C 349566748 OTVPVOZRDGNERL-SNVBAGLBSA-N 311.429 -0.168 30 20 DBED Cc1nn(C)c(N2CCN([C@H](C)C(=O)NC(N)=O)CC2)c1C#N 349876094 CSROXTSNBPUNDA-SNVBAGLBSA-N 319.369 -0.694 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N1CCN2C(=O)OC[C@@H]2C1 367172918 OLHIBLWTWONVFK-ZJUUUORDSA-N 302.356 -0.398 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCSC[C@@H]1C(N)=O 407953384 LMXOEAZDSMIHLV-NXEZZACHSA-N 320.440 -0.385 30 20 DBED CN1C(=O)CC[C@H](N[C@H](C(N)=O)c2ccc(C#N)cc2)C1=O 424131372 UYEIQNYGAZTFFU-AAEUAGOBSA-N 300.318 -0.178 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)Nc1cnn(CCOC)c1 490740583 PQJCCDFFRWHUBW-UHFFFAOYSA-N 302.334 -0.047 30 20 DBED C[C@@H](NCCS(=O)(=O)c1ccc(C#N)cn1)C(=O)N(C)C 567103567 JFSYRATUYWGXMU-SNVBAGLBSA-N 310.379 -0.207 30 20 DBED N#Cc1cncnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 581366685 QGUGFLPNOSNAHQ-UHFFFAOYSA-N 314.349 -0.381 30 20 DBED CCOC(=O)[C@@H]1CCCN(C(=O)Cn2cnc(C#N)cc2=O)C1 584838947 OTEOEWMJKNKPBX-LLVKDONJSA-N 318.333 -0.083 30 20 DBED CN(CCN(C)C1CC1)C(=O)C(=O)NC1CCN(CC#N)CC1 588124802 LAQKEQCJXSCECT-UHFFFAOYSA-N 321.425 -0.357 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(C2CC2)[C@@H](C)C#N)C1=O 598129425 HPNNCFROYSGTBX-VIFPVBQESA-N 304.306 -0.134 30 20 DBED N#C[C@@H](CO)NC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 598905417 VLMZASNUKPDJCW-VIFPVBQESA-N 307.266 -0.283 30 20 DBED CS(=O)(=O)N1CCN(CCNC(=O)NCCCC#N)CC1 612118893 KNERSBHGSPINFP-UHFFFAOYSA-N 317.415 -0.833 30 20 DBED CC#CC[C@H](CO)NC(=O)[C@@](C)(O)Cn1c(C)cccc1=O 649181917 LLILXRBBKONADI-CJNGLKHVSA-N 306.362 -0.202 30 20 DBED C=CCOCCNC(=O)N1CCS(=O)(=O)[C@@H]2COCC[C@H]21 662011290 BSMJYZRFZOOIKU-VXGBXAGGSA-N 318.395 -0.214 30 20 DBED C=CCN1CCC(NC(=O)C2(n3cnnn3)CCOCC2)CC1 668369801 FMMIHWFUHJESHZ-UHFFFAOYSA-N 320.397 -0.055 30 20 DBED CN(CCS(N)(=O)=O)S(=O)(=O)c1ccccc1C#N 719714311 OXUUPRVMFHDRDU-UHFFFAOYSA-N 303.365 -0.533 30 20 DBED C#CCNC(=O)CN1CCN(CCn2ccccc2=O)CC1 728573609 SMXBHHSRXPBQMA-UHFFFAOYSA-N 302.378 -0.785 30 20 DBED COCCCNC(=O)[C@@H](C#N)C(=O)[C@@H]1CC(=O)N(C2CC2)C1 729186861 OPRPBRNAXWIQQB-PWSUYJOCSA-N 307.350 -0.141 30 20 DBED CC(=NNC(=S)NCC(N)=O)c1ccc(-n2cnnn2)cc1 731929127 BUCOQYNQXYFPFX-UHFFFAOYSA-N 318.366 -0.664 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)C(C)(C)NC(C)=O)CC1 733149819 SKGCFTUETNTVNK-UHFFFAOYSA-N 322.409 -0.815 30 20 DBED C=CCNc1ncc(C(=O)OCC(=O)N2CCNC(=O)C2)s1 770109202 WYECBEFOWHZCNZ-UHFFFAOYSA-N 324.362 -0.144 30 20 DBED C#CCOCCNC(=O)C(=O)Nc1ccccc1S(C)(=O)=O 785165130 OKSZRHNLAYNXJJ-UHFFFAOYSA-N 324.358 -0.205 30 20 DBED C#CCONC(=O)CCNS(=O)(=O)c1cn(C)c(C)n1 812786731 UCMYAJHDIWAEBH-UHFFFAOYSA-N 300.340 -0.922 30 20 DBED C#CCn1cc(CNC(=O)CS(=O)(=O)N(CC)CC)cn1 819537522 JOIQRUWKBYYPQU-UHFFFAOYSA-N 312.395 -0.196 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N[C@@H](C)CN1CCCC1=O 827467055 MWQJEKCHDPIODY-ZDUSSCGKSA-N 323.393 -0.388 30 20 DBED Cc1cccc2c(=O)n(CC(=O)N[C@H]3CNC[C@@H]3C#N)cnc12 834512057 RJDNTCMNMQWQKE-AAEUAGOBSA-N 311.345 -0.067 30 20 DBED N#CCCN(CCC#N)C(=O)COC(=O)CN1C(=O)CCC1=O 844173690 QTCPUUOZSWSTCB-UHFFFAOYSA-N 320.305 -0.665 30 20 DBED C#CCCCNC(=O)N1CCN(S(=O)(=O)NC(C)C)CC1 853799920 PXPKFZDBVKANBV-UHFFFAOYSA-N 316.427 -0.030 30 20 DBED C[C@H]1C(=O)N(N=Cc2ccc(S(N)(=O)=O)cc2)C(=O)N1C 857216083 KISUQZIDIGAHIC-QMMMGPOBSA-N 310.335 -0.050 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H](C)C(=O)N(C)OC 859402876 JCRQRHDUZZCOPQ-ZJUUUORDSA-N 306.388 -0.289 30 20 DBED N#Cc1ccccc1OC[C@@H](O)CNC[C@H]1CC(C(N)=O)=NO1 863554847 JLXNTHOOPOQHIF-NWDGAFQWSA-N 318.333 -0.482 30 20 DBED CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1C[C@H]2C(=O)N(C)C(=O)[C@H]2C1 879532681 VNWYQIZTGQWGPK-LSSIXWDNSA-N 320.393 -0.024 30 20 DBED C#CC1(O)CN(C(=O)[C@@H]2CC=CC[C@H]2C(=O)N2CCOCC2)C1 890524554 QDMYBUWFVUXSCW-ZIAGYGMSSA-N 318.373 -0.366 30 20 DBED C#CC1(O)CN(C(=O)N[C@H]2CCN(C3CCN(C)CC3)C2)C1 893022900 NWNNDRWBAMAUTC-ZDUSSCGKSA-N 306.410 -0.456 30 20 DBED N#CCC(=O)N1CCN(C(=O)C2CN(C3CCOCC3)C2)CC1 896992295 ACDBIIJBPCAURP-UHFFFAOYSA-N 320.393 -0.318 30 20 DBED C#CCN1CCC[C@H](NC(=S)NCCNS(C)(=O)=O)C1 905572814 YUXBXDTZCAGYAJ-NSHDSACASA-N 318.468 -0.903 30 20 DBED C=CCS(=O)(=O)CCNC(=O)c1ccnn1CCN(C)C 907307084 DVIFFHRDAFLNQC-UHFFFAOYSA-N 314.411 -0.225 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)c3ncn(C)n3)C2)nc1 937902944 XEMHHVLZPOQQBH-LBPRGKRZSA-N 324.344 -0.164 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2CN(C(=O)C(N)=O)C[C@H]2C)c1 940011097 OBTFNQBOCZIPHO-BXKDBHETSA-N 300.318 -0.875 30 20 DBED CO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1NC(=O)c1nnn(C)c1C 941419318 SEAGBETXMGKBGS-JMJZKYOTSA-N 320.353 -0.761 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(NC(=O)[C@@]2(C)CNC(=O)C2)CC1 948106421 NQYAXCLBLYZSEG-ZUZCIYMTSA-N 306.366 -0.221 30 20 DBED N#Cc1ccc(C(=O)NC[C@H]2CCN2C(=O)c2cnon2)[nH]1 949453136 YZDOFVGFLHDJQV-SECBINFHSA-N 300.278 -0.086 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)C(N)=O)[C@H](C)C2)cn1 955795623 LDJHWXMLCZVPPH-MFKMUULPSA-N 314.345 -0.343 30 20 DBED C#CCCN1C[C@@H](O)[C@@H](CNC(=O)c2cnn3cccnc23)C1 958309297 JPQOJIYWLYHWOH-GXTWGEPZSA-N 313.361 -0.225 30 20 DBED C#CCCN1C[C@H](O)[C@H](CNC(=O)c2cnc(OC)nc2)C1 958561761 AZEVVSGHZMLERY-OLZOCXBDSA-N 304.350 -0.469 30 20 DBED N#Cc1ccc(C(=O)NC2[C@H]3CN(CC(=O)N4CCC4)C[C@H]23)[nH]1 958597600 HOAMUAGBDADWTO-RYUDHWBXSA-N 313.361 -0.221 30 20 DBED CN1CC[C@H](N2C[C@@H]3C(NC(=O)c4c[nH]c(C#N)c4)[C@H]3C2)C1=O 958618298 RCPJARDBXAPECY-AVGNSLFASA-N 313.361 -0.223 30 20 DBED Cc1cnccc1C(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1O 962758244 WFXIXABQCNQVLS-BIMULSAOSA-N 302.334 -0.149 30 20 DBED COc1nc(C(=O)NC[C@H]2COCCN2C(=O)[C@@H](C)C#N)co1 964265230 DTXQLDBXGYVHDY-UWVGGRQHSA-N 322.321 -0.200 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)c1n[nH]cc1F 964355397 VISVBTVFLASPDT-IUCAKERBSA-N 309.301 -0.334 30 20 DBED Cc1ncc(C(=O)N2CC3(C2)CN(C(=O)[C@@H](C)C#N)CCO3)[nH]1 965475369 WCYGQVLLLKKUKD-JTQLQIEISA-N 317.349 -0.069 30 20 DBED O=C(C#CC1CC1)N1C[C@H](O)[C@H](NC(=O)[C@]2(F)CCOC2)C1 969948687 IZDOUQDXIAYRKP-XUJVJEKNSA-N 310.325 -0.784 30 20 DBED C=C[C@](C)(CC)C(=O)N1C[C@H](O)[C@H](NC(=O)Cn2cncn2)C1 970750721 ZBZWQIMJPVYSLM-TYNCELHUSA-N 321.381 -0.432 30 20 DBED Cn1nccc1CC(=O)N1CC[C@]2(CN(CC#N)CCO2)C1 972361740 JWGALOCZBHOOOZ-HNNXBMFYSA-N 303.366 -0.211 30 20 DBED C=C(Cl)CN(C)[C@@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 972442268 WVRJZQROXFFSPD-ZJUUUORDSA-N 314.773 -0.130 30 20 DBED N#Cc1ccc(C(=O)N2C[C@H]3[C@H](NC(=O)Cn4cccn4)[C@H]3C2)[nH]1 976172213 HRVDUUFBOMSPGM-JYAVWHMHSA-N 324.344 -0.030 30 20 DBED Cn1c(=O)ccn(CC(=O)N[C@@H]2CCC[C@H](NCC#N)C2)c1=O 981124691 LQDZVMJILPAQDK-NWDGAFQWSA-N 319.365 -0.912 30 20 DBED C#CCCN1CCCC2(C1)CN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)C2 982009131 GSUPNNUTOHIMIJ-UONOGXRCSA-N 319.405 -0.033 30 20 DBED CC#CCN1CC[C@@]2(NC(=O)CN3CCOCC3=O)CCC[C@H]12 991088434 LRPJMMIKUMXYEX-YOEHRIQHSA-N 319.405 -0.018 30 20 DBED C#CCOc1ncccc1C(=O)N1CC[C@H](NC(C)=O)[C@@H](O)C1 991146528 DJOIDBBQIQOXEI-KBPBESRZSA-N 317.345 -0.195 30 20 DBED C=CCn1cc(C(=O)NC2CN(C(=O)[C@H]3OCC[C@H]3C)C2)nn1 991676686 MFCUWEHVHMCHQM-MFKMUULPSA-N 319.365 -0.170 30 20 DBED O=C(N[C@@H]1CCN(C(=O)C#CC2CC2)C[C@H]1O)c1ccncn1 991692761 QUJSHTLRAFYLAK-TZMCWYRMSA-N 314.345 -0.418 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CN(C(=O)[C@H]2CCNC2=O)C1 992037956 LWOGJFZBJRLVAB-AVGNSLFASA-N 321.377 -0.569 30 20 DBED C#CCN[C@H]1CN(C(=O)[C@@H](C)N2C(=O)CCC2=O)CC1(C)C 995883526 UKTDVGDQVLQPFC-NEPJUHHUSA-N 305.378 -0.016 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)Cn3nccn3)C2)nc1 997091358 XFZINPJXUSZESZ-UHFFFAOYSA-N 310.317 -0.705 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](NC(=O)Cn2nccn2)C(C)(C)C1 1008188398 ISHJHTVDYUQWSC-MNOVXSKESA-N 304.354 -0.209 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](CNC(=O)c3cnnn3C)[C@H]2C1 1009002280 MSCCJMOFAZSTMV-XWLWVQCSSA-N 302.338 -0.591 30 20 DBED CC#CCN1CCC[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)C1 1009448787 NEKWGSPIAZXUOZ-GFCCVEGCSA-N 306.366 -0.516 30 20 DBED N#Cc1ccc(CN2CC[C@@H](NC(=O)Cn3cnnn3)C2)s1 1010109932 SWALROSUHLVRIW-SNVBAGLBSA-N 317.378 -0.003 30 20 DBED C[C@@H]1C[C@@H](CNC(=O)c2cc(C#N)c[nH]2)CN1C(=O)C(N)=O 1010287736 ZJCRVVBAGJYGGZ-SCZZXKLOSA-N 303.322 -0.662 30 20 DBED C=CCN1CC[C@H](N2CC[C@@H](NC(=O)c3cnnn3C)C2)C1=O 1010831060 QUAPLDPZWHRAAO-NEPJUHHUSA-N 318.381 -0.594 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2C(NC(=O)c3cnon3)[C@@H]2C1 1013638598 FNXWYBVXAJPBTH-BFLSOPEQSA-N 318.333 -0.153 30 20 DBED C#CCN1CC[C@H](NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 1014428077 QSKSLNJIPBPGJZ-NEPJUHHUSA-N 301.350 -0.414 30 20 DBED C#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)C1CC2(C1)NC(=O)NC2=O 1018056849 DNQIKPFSLLISKB-PFBBNDLVSA-N 316.361 -0.717 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(CN(C(=O)C[C@H]3CCNC3=O)C2)C1 1019088493 RHDIJANJWGVURW-NWDGAFQWSA-N 318.377 -0.267 30 20 DBED C=C(Br)CN[C@H]1C[C@H](NC(=O)Cn2cnnn2)C1 1019975965 QETRGUFWTACWQT-KYZUINATSA-N 315.175 -0.182 30 20 DBED C=CCN[C@H]1C[C@H](NC(=O)Cn2ncn3nccc3c2=O)C1 1020661119 WIMGIWRVTONRBS-XYPYZODXSA-N 302.338 -0.686 30 20 DBED C=CCCn1cc(C(=O)N[C@H]2C[C@H](N[C@H]3CCNC3=O)C2)nn1 1020714269 QDGGMYDCHATCNA-SRVKXCTJSA-N 318.381 -0.407 30 20 DBED Cc1nscc1C(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1O 1023461305 DTSLHQHZIVJSCD-WHGOUJPWSA-N 308.363 -0.087 30 20 DBED COc1cccnc1C(=O)N[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1O 1024949636 PRXUXPUHQNWAID-GMTAPVOTSA-N 318.333 -0.449 30 20 DBED Cn1nnnc1CN1CCC[C@H]1CNC(=O)c1cc(C#N)c[nH]1 1027812043 CQECPOKWUBPZHD-NSHDSACASA-N 314.353 -0.196 30 20 DBED C#CCN1CCC[C@@H]1CNC(=O)[C@@H]1Cc2cncn2C(=O)N1 1028043294 KUYBZZANJNHIRF-YPMHNXCESA-N 301.350 -0.421 30 20 DBED C#CCCN1CC(CNC(=O)[C@]23C[C@H]4C[C@@H](C(=O)N2)[C@H]3C4)C1 1031795993 YUCLVVYPPUXMAF-ZCTGUTNYSA-N 301.390 -0.028 30 20 DBED C=C(C)CN1CC[C@H](N(C)C(=O)CN2C(=O)CN(C)C2=O)C1 1033642145 IQMHFLKHJRHCEG-LBPRGKRZSA-N 308.382 -0.011 30 20 DBED C#CCN1CC[C@@H](N(CC)C(=O)[C@H]2CN(C(C)=O)CCO2)C1 1034029606 SOVAHLGYZLMYBM-HUUCEWRRSA-N 307.394 -0.210 30 20 DBED C=CCN1CCO[C@H](CNC(=O)[C@H]2CCc3nnn(C)c3C2)C1 1035490880 LVKXYTDRCBNTBU-QWHCGFSZSA-N 319.409 -0.077 30 20 DBED N#CCSCC(=O)N1CC[C@@](O)(CNC(=O)C#CC2CC2)C1 1039677637 KRAXPPYKRWLFJO-OAHLLOKOSA-N 321.402 -0.264 30 20 DBED O=C(C#CC1CC1)NC[C@]1(O)CCN(C(=O)[C@]2(F)CCOC2)C1 1039684919 GFNHTTOMHFQVJN-CVEARBPZSA-N 324.352 -0.392 30 20 DBED C=CCCC(=O)N1CC[C@](O)(CNC(=O)C2(C(=O)NC)CC2)C1 1040282918 WZCHIXVCUPYSAE-HNNXBMFYSA-N 323.393 -0.442 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)c2cccn2C)C1 1040759366 AEXSXMKIOPYWOE-NHYWBVRUSA-N 304.350 -0.122 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)c2cccc(O)n2)C1 1040763220 NYEMXNXXXIUFTD-BONVTDFDSA-N 318.333 -0.360 30 20 DBED Cc1nnsc1C(=O)N1CC[C@](O)(CNC(=O)[C@@H](C)C#N)C1 1040763609 QJUZJXGPQQBJFM-SDBXPKJASA-N 323.378 -0.301 30 20 DBED C=CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)c2ccncc2)C1 1041181332 VQFBJIIVTBJRKA-GFCCVEGCSA-N 319.361 -0.024 30 20 DBED Cc1cc(N2C[C@@H](O)[C@H](NC(=O)c3cnn[nH]3)C2)c(C#N)cn1 1041434826 SQKVKBDTAIOLGL-DGCLKSJQSA-N 313.321 -0.641 30 20 DBED CO[C@H](C)CC(=O)NCC1(O)CN(C(=O)c2ccc(C#N)[nH]2)C1 1041938464 SSFYJWGKRLTBSU-SNVBAGLBSA-N 320.349 -0.386 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)Cc2cn(CC)nn2)C1 1041956652 UBCBUAAGLIUKKF-UHFFFAOYSA-N 321.381 -0.504 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)C(=O)C(C)(C)C)C1 1042159130 QDVUPCBYMUEWSW-UHFFFAOYSA-N 308.378 -0.050 30 20 DBED CCOCCC(=O)N1CC(O)(CNC(=O)c2cc(C#N)c[nH]2)C1 1042401425 MLBSHJSIJGFUII-UHFFFAOYSA-N 320.349 -0.384 30 20 DBED CN(C(=O)c1ccc(C#N)[nH]1)C1CN([C@@H]2CCCNC2=O)C1 1042628574 LEOLZXCPMXQAAD-CYBMUJFWSA-N 301.350 -0.079 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)c2ncccc2O)C1 1042712677 FRIMIEUUMKZKEI-SECBINFHSA-N 304.306 -0.750 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(O)CN(C(=O)c2ccnnc2)C1 1042812086 MAZIYPJDVFJAOD-CQSZACIVSA-N 320.349 -0.893 30 20 DBED C=C[C@](C)(CC)C(=O)N1CC(O)(CNC(=O)c2cn(C)nn2)C1 1042888137 ZKHOJTVEQOBDOH-CQSZACIVSA-N 321.381 -0.280 30 20 DBED C=CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)Cc2ccon2)C1 1043569736 CORYFCIXZIZCSX-NSHDSACASA-N 323.349 -0.502 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)C23CCCN2CCC3)C1 1043970429 QNMCBRQQUWZYJR-GFCCVEGCSA-N 320.393 -0.536 30 20 DBED Cc1cnoc1C(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1044156615 OQDQBYLSOGPATD-MNOVXSKESA-N 314.305 -0.376 30 20 DBED C=C[C@H](C)[C@H](C)C(=O)NCC1(O)CN(C(=O)Cc2nc[nH]n2)C1 1044981157 SXOHILUBVLBLFF-QWRGUYRKSA-N 321.381 -0.505 30 20 DBED C=CCCCC(=O)NCC1(O)CN(C(=O)C[C@H]2CCNC2=O)C1 1045459018 RGIJJXFCBPHSPD-GFCCVEGCSA-N 323.393 -0.442 30 20 DBED CCOCC1(C(=O)N2CC(O)(CNC(=O)[C@@H](C)C#N)C2)CC1 1045554213 AEIDHENZTQGTBS-NSHDSACASA-N 309.366 -0.348 30 20 DBED C#CCN1CC[C@H](N2CCN(C(=O)CN3CCOCC3)CC2)C1 1046022747 VHBCMKYLPDPMFQ-INIZCTEOSA-N 320.437 -0.830 30 20 DBED N#Cc1nccnc1N[C@H]1C[C@@H](CNC(=O)[C@@H]2COC(=O)N2)C1 1046369364 FRQJRZVESSFZFJ-NGZCFLSTSA-N 316.321 -0.237 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2nccn3ccnc23)C1 1047533951 PSNZWTYRNJNHGG-STQMWFEESA-N 313.361 -0.130 30 20 DBED CN(C(=O)c1ncc2n1CCCC2)[C@H]1CN(CC#N)C[C@@H]1O 1047634719 NIKNRPIXPJORKK-STQMWFEESA-N 303.366 -0.140 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CN(Cc3nc(=O)n(C)[nH]3)C[C@@H]2C1 1048728036 RUGMVAMEJDOJKX-MXWKQRLJSA-N 304.354 -0.842 30 20 DBED CN(C(=O)C#CC1CC1)[C@H]1CN(C(=O)C2=COCCO2)C[C@@H]1O 1048821325 KDVFSLAVFKZRKQ-STQMWFEESA-N 320.345 -0.682 30 20 DBED C=CCOCC(=O)N1CC[C@@H]([C@H](C)NC(=O)c2nc[nH]n2)C1 1050297907 QASMVRWUZRQRFG-WDEREUQCSA-N 307.354 -0.026 30 20 DBED C=CCCN1CCOC[C@H]1CNC(=O)[C@H]1CCS(=O)(=O)C1 1051012120 TYJSHVZNMQMMLV-QWHCGFSZSA-N 316.423 -0.186 30 20 DBED C=CCOCC(=O)N[C@@H](C)[C@@H]1CCN(C(=O)c2nc[nH]n2)C1 1051337943 QRDWFNDHCHQXJB-WDEREUQCSA-N 307.354 -0.026 30 20 DBED C#CCN1CCN([C@H]2CCN(C(=O)[C@H]3CN(C)CCO3)C2)CC1 1051998838 BETKWAQRNWJJNG-JKSUJKDBSA-N 320.437 -0.831 30 20 DBED N#Cc1cncc(NC2CC(CNC(=O)[C@@H]3CCNC3=O)C2)n1 1052049524 DMPZACLUECLPLE-RTYFJBAXSA-N 314.349 -0.209 30 20 DBED C=C(C)CN1CCN([C@H]2CCN(C(=O)[C@H]3CCNC3=O)C2)CC1 1052059299 GJKIOHMJBYRCTA-GJZGRUSLSA-N 320.437 -0.083 30 20 DBED CC#CCN1CCN([C@@H]2CCN(C(=O)c3nc[nH]n3)C2)CC1 1052098549 KOOSQDQBGYDABF-CYBMUJFWSA-N 302.382 -0.340 30 20 DBED C[C@H]1CCCN(C(=O)C(=O)N2CCOC3(CN(CC#N)C3)C2)C1 1053461011 MMROCMQVZXRCHE-ZDUSSCGKSA-N 320.393 -0.318 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)[C@@H]3CCNC(=O)CC3)CO2)C1 1053882072 SFQTUMXMRGHTMZ-NWDGAFQWSA-N 306.366 -0.614 30 20 DBED CC(=O)N1CCC[C@@H]1C(=O)N[C@H]1COC2(C1)CN(CC#N)C2 1054019573 YMNIAJVJOSJBRR-CHWSQXEVSA-N 306.366 -0.520 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H](N[C@H]2CCNC2=O)C1 1054296183 OBYFFZGGRRSUKY-ILXRZTDVSA-N 318.421 -0.447 30 20 DBED CCC(=O)N[C@H](C)C(=O)N1C[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2C1 1055369213 WUFHHMOJQYLAFN-QNWHQSFQSA-N 320.393 -0.022 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@](CO)(NC(=O)c2cnccn2)C1 1055727574 XXUKVOUESGUNLJ-IAQYHMDHSA-N 317.349 -0.280 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@](CO)(NC(=O)c2cncnc2)C1 1055899476 WQKVUWYFQIAXBM-IAQYHMDHSA-N 317.349 -0.280 30 20 DBED N#Cc1ccc(N2C[C@H]3C(NC(=O)Cn4cnnn4)[C@@H]3C2)cn1 1056127830 FEGJGOCJBXMSAY-VXGBXAGGSA-N 310.321 -0.809 30 20 DBED N#Cc1nccnc1N1C[C@@H]2C(NC(=O)c3nccnc3N)[C@H]2C1 1056152602 KXSVJJRBEUXRJD-IUCAKERBSA-N 322.332 -0.415 30 20 DBED Cc1c(C(=O)NC2[C@H]3CN(c4nccnc4C#N)C[C@H]23)nnn1C 1056176869 XDCWKQHRJRQWDQ-UWVGGRQHSA-N 324.348 -0.350 30 20 DBED Cn1nncc1C(=O)NC1[C@@H]2CN(c3cnc(C#N)cn3)C[C@@H]12 1056194711 OHVQWUWPXWERSJ-NXEZZACHSA-N 310.321 -0.659 30 20 DBED C#Cc1ccc(C(=O)NCCN(CCO)C(=O)COC)nc1 1056785407 JFYYXKXTIQUKCE-UHFFFAOYSA-N 305.334 -0.740 30 20 DBED CN(c1cncc(C#N)n1)[C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1 1056873696 WMCFIFWCFDARQL-VXGBXAGGSA-N 314.349 -0.336 30 20 DBED Cc1cc(C(=O)N(CCO)CCNC(=O)[C@H](C)C#N)n(C)n1 1057104992 ILUUGXYWQDQOPM-SNVBAGLBSA-N 307.354 -0.561 30 20 DBED Cc1cc(C#N)nc(N2CCCN(C(=O)CC(N)=O)CC2)n1 1057110089 LOXAGJMXJUMOAC-UHFFFAOYSA-N 302.338 -0.429 30 20 DBED C#CCO[C@H](C)C(=O)NCCN(CCO)C(=O)[C@H]1CC1(F)F 1057508952 HLPKKZXTSCECEW-GHMZBOCLSA-N 318.320 -0.383 30 20 DBED C=C(C)CCC(=O)NCCN(CCO)C(=O)Cn1nccn1 1057700889 PXXRCBVTOQJMPJ-UHFFFAOYSA-N 309.370 -0.429 30 20 DBED C=CC(C)(C)C(=O)N(CCO)CCNC(=O)[C@@H]1COCCO1 1058300178 ACHXHSWBBWLJSC-LBPRGKRZSA-N 314.382 -0.449 30 20 DBED C=C[C@H](CC)CC(=O)NCCN(CCO)C(=O)Cc1nc[nH]n1 1058891791 QMJRGITYLSUFIB-GFCCVEGCSA-N 323.397 -0.113 30 20 DBED C=CCCC(=O)N1CCOC[C@@H]1CNC(=O)[C@H]1COCCO1 1061323947 UTMGLMBBKFSVTQ-QWHCGFSZSA-N 312.366 -0.288 30 20 DBED CC(C)C#CC(=O)N1CCOC[C@H]1CNC(=O)[C@@H]1CCN(C)C1 1061595579 LDHYDGOKGJOYFT-HUUCEWRRSA-N 321.421 -0.059 30 20 DBED C=C(C)C[C@H](C)C(=O)NC[C@H]1COCCN1C(=O)CC(N)=O 1061794635 NJPKLRWEUTUZBZ-RYUDHWBXSA-N 311.382 -0.192 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)c1ncccn1 1061848159 PEDXJJMLLJERGS-GHMZBOCLSA-N 303.322 -0.407 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CCCCN1C(=O)Cn1cncn1 1062355632 BBVXHZQJSTUYBP-NWDGAFQWSA-N 304.354 -0.065 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)C[C@@H]2CCC(=O)N2)CCC1 1064306283 GBIWWPXLHGZLSS-QWRGUYRKSA-N 306.366 -0.030 30 20 DBED Cc1cc(C#N)nc(N[C@@H]2CCN(C(=O)C(N)=O)[C@H](C)C2)n1 1064821860 BZPDJPZTYIYGJJ-NXEZZACHSA-N 302.338 -0.067 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2cocn2)CCO1 1064972199 RJDWGWMTYVNTOO-LLVKDONJSA-N 309.322 -0.166 30 20 DBED C#CCOCCC(=O)N1CCO[C@H](CNC(=O)c2cc[nH]n2)C1 1065150683 SWPJQXQXRJHYPS-GFCCVEGCSA-N 320.349 -0.593 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CN(C(=O)Cc2cncn2C)CCO1 1065373938 JVIGOEHJNIKEQB-DGCLKSJQSA-N 319.365 -0.534 30 20 DBED CC#CCCCC(=O)N1CC2(C1)CN(C(=O)C(N)=O)CCO2 1068447963 DDDPTJHVUYVUFR-UHFFFAOYSA-N 307.350 -0.895 30 20 DBED C=CCCC(=O)N1CC2(C[C@H](NC(=O)[C@@H](C)CC(N)=O)CO2)C1 1068943958 VBVNQVPGPFVAQR-RYUDHWBXSA-N 323.393 -0.050 30 20 DBED C=C[C@H](CC)CC(=O)N[C@H]1COC2(C1)CN(C(=O)C(N)=O)C2 1068976303 UVQVZFKTEBBUDI-GHMZBOCLSA-N 309.366 -0.440 30 20 DBED C=CCOCC(=O)N1CC[C@]2(CCCN(C(=O)C(N)=O)C2)C1 1069776792 SCDPYOJEBKZAHR-OAHLLOKOSA-N 309.366 -0.485 30 20 DBED N#CCN[C@@H]1CN(C(=O)Cc2ccco2)C[C@@H]1n1ccnn1 1070300034 QQTXWUSJMPJKRJ-OLZOCXBDSA-N 300.322 -0.021 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H](C)[C@@H](NC(=O)C(C)(C)F)C1 1071922253 QVKGILWSLZIVPB-QWRGUYRKSA-N 311.357 -0.163 30 20 DBED C#CCOCCC(=O)N1C[C@@H](NC(=O)CC(=O)NCC)[C@H](C)C1 1072096751 DHHJYYXTMKNHEE-CHWSQXEVSA-N 323.393 -0.484 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)[C@@H]2CN(C(C)C)CCO2)C1 1073739983 AQOMDQAUGQINDK-HOTGVXAUSA-N 323.437 -0.064 30 20 DBED N#CCN1CCCO[C@H](CNC(=O)[C@@H]2CCc3nn[nH]c3C2)C1 1073859305 HALPYRVFPAZLSW-VXGBXAGGSA-N 318.381 -0.360 30 20 DBED C[C@H]1CN(C(=O)C#CC2CC2)CC[C@@H]1NC(=O)CCNC(N)=O 1073954525 KTEVTMUZLBKFSB-AAEUAGOBSA-N 320.393 -0.189 30 20 DBED C#CCCN1CCO[C@@H]2CCN(C(=O)Cn3cnnc3O)C[C@@H]21 1074212177 LDTZJTUSYIKFRG-QWHCGFSZSA-N 319.365 -0.691 30 20 DBED CC#CCN1CCO[C@@H]2CCN(C(=O)c3cc(=O)n(C)o3)C[C@H]21 1074219435 PKJWYJGUNSUYPK-CHWSQXEVSA-N 319.361 -0.083 30 20 DBED C=CCN1CCO[C@@H]2CCN(C(=O)C3CC(=O)NC(=O)C3)C[C@H]21 1074357354 ZCWNPMGRDGJGLV-CHWSQXEVSA-N 321.377 -0.473 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC(O)(CNC(=O)[C@H](C)C#N)CC1 1074588783 SSJMAOYZCMKFJP-CHWSQXEVSA-N 321.377 -0.346 30 20 DBED O=C(C#CC1CC1)NCC1(O)CCN(C(=O)c2cnon2)CC1 1074687863 AHDKDSKYPVVGQC-UHFFFAOYSA-N 318.333 -0.434 30 20 DBED C=CCOCC(=O)N[C@@H](C)CCNC(=O)CN1CCCC1=O 1075564820 LAORPRTXLVCPAP-LBPRGKRZSA-N 311.382 -0.178 30 20 DBED C=CCOCC(=O)NCC[C@H](C)NC(=O)[C@@H]1CC(=O)N(C)C1 1075921099 INVVXXRJZUAFCL-NWDGAFQWSA-N 311.382 -0.322 30 20 DBED C#CCCN1C[C@@H]2CCN(C(=O)c3ccc(=O)n(C)n3)[C@@H]2C1 1076536782 FBOUSOYBBSBCHJ-GXTWGEPZSA-N 300.362 -0.050 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CN(CC(=C)Cl)C[C@H]2O)nn1 1077802567 NTUIAIAJMHFRIL-ZYHUDNBSSA-N 311.773 -0.009 30 20 DBED C[C@@H](CCNC(=O)COCc1ncnn1C)NC(=O)[C@H](C)C#N 1078159880 YIFKBVKCESWUFB-MNOVXSKESA-N 322.369 -0.498 30 20 DBED CCN(C(=O)CSCC#N)C1CN(C(=O)Cn2nccn2)C1 1079342552 RVFWRPIODXCVQT-UHFFFAOYSA-N 322.394 -0.406 30 20 DBED CCN(C(=O)[C@H](C)CC(N)=O)C1CN(C(=O)C#CC2CC2)C1 1080217333 CEHZEWAVMKALIU-LLVKDONJSA-N 305.378 -0.029 30 20 DBED Cc1cc(C(=O)NC2(CO)CCN(C(=O)[C@@H](C)C#N)CC2)n[nH]1 1080748858 PWAWUCKCSMUJNT-JTQLQIEISA-N 319.365 -0.039 30 20 DBED N#CCSCC(=O)N1C[C@H](CNC(=O)c2cn[nH]c2)[C@@H](O)C1 1081295382 PNILUZOFVOLJDD-QWRGUYRKSA-N 323.378 -0.784 30 20 DBED C=CCOCCCC(=O)NC[C@H]1CN(C(=O)COC)C[C@H]1O 1081376753 MYVNUHOVRMXYTM-QWHCGFSZSA-N 314.382 -0.449 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@H](CNC(=O)c2csnn2)C1 1081624034 SKJBCYHYUZBZHL-PWSUYJOCSA-N 322.390 -0.253 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)Cc2cnoc2)C1 1081680114 SNYDHRGMTOPVCU-UONOGXRCSA-N 319.361 -0.188 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@H](CNC(=O)Cc2ncc[nH]2)C1 1081692172 CHYVPEQJUXPIDW-VXGBXAGGSA-N 322.365 -0.910 30 20 DBED C#CCCCC(=O)NC[C@@H]1CCCCN1C(=O)CNC(N)=O 1081868194 YXHYEEHLGFVQGC-LBPRGKRZSA-N 308.382 -0.045 30 20 DBED C#CCCN1C[C@@H](NC(=O)c2ncc(OC)cn2)[C@H](OC)C1 1081925783 DYVSCZYRRLKTHW-CHWSQXEVSA-N 304.350 -0.063 30 20 DBED CC#CCN1C[C@@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)[C@H](OC)C1 1081975033 MMKWSRBUZILOQW-AALSBFMBSA-N 322.405 -0.123 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CC(=O)N(CC)C1 1083098742 FKUKCPWSVZWFMV-QLFBSQMISA-N 319.405 -0.210 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCc3cnc(C)n3C2)C1 1083734299 YTEGRMKOIWLSLT-IMJJTQAJSA-N 316.405 -0.061 30 20 DBED COc1ccc(CC(=O)N[C@@H]2CN(CC#N)C[C@@H]2O)cc1OC 1084017328 YECOGHFBEWVBMH-OLZOCXBDSA-N 319.361 -0.069 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)C[C@@H]3CCS(=O)(=O)C3)[C@@H]2C1 1084497381 LYVZJDIGPQAQOV-BFHYXJOUSA-N 310.419 -0.023 30 20 DBED C=C(Cl)CN1CC[C@@H](NC(=O)c2cc(=O)n(C)o2)[C@@H](O)C1 1090225330 NAZZBFXXZLZBHI-ZJUUUORDSA-N 315.757 -0.104 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2ccc3nn[nH]c3n2)[C@H](O)C1 1090314164 WXYBOBNLDRJJLX-GXFFZTMASA-N 314.349 -0.459 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1O 1090392269 RLLUPMZTJYXROO-VXGBXAGGSA-N 303.322 -0.783 30 20 DBED CC[C@@H](C(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1O)N(C)C 1090455521 YNZMQFCVSJGANC-HZSPNIEDSA-N 317.393 -0.041 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1O 1090494505 FUDJOTCCBVPANF-CHWSQXEVSA-N 315.333 -0.946 30 20 DBED C[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1NC(=O)CNC(N)=O 1090650016 VLYSKWGLSSMISL-BXKDBHETSA-N 302.338 -0.438 30 20 DBED C#Cc1ccccc1CC(=O)N[C@@H]1CCN(CCO)C[C@H]1O 1090763106 DJFJDSPUXBRHBM-HZPDHXFCSA-N 302.374 -0.246 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)c2cn(C)c(=O)nc2O)[C@H](O)C1 1090804856 LFRRACVLLKAGNI-VXGBXAGGSA-N 322.365 -0.773 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CCN(c2nccnc2F)[C@@H]1C 1091965751 PSGAJTSKOSLGJD-MNOVXSKESA-N 319.340 -0.161 30 20 DBED COCC(=O)N[C@@H](C)C(=O)NCCNc1nccnc1C#N 1094185098 HLXYLXACQIYALP-VIFPVBQESA-N 306.326 -0.973 30 20 DBED CC#CCN1CC(n2cc(CNC(=O)c3[nH]nnc3C)nn2)C1 1094309696 LOPSIRAXHXSQKI-UHFFFAOYSA-N 314.353 -0.485 30 20 DBED CCOCCOCC(=O)NCCCN=c1cc[nH]c(C#N)n1 1094458459 YAIMZDXOSJYLGU-UHFFFAOYSA-N 307.354 -0.259 30 20 DBED CCNC(=O)CCCC(=O)NCCCN=c1cc[nH]c(C#N)n1 1094507138 ZDYUXNGHDWKUHU-UHFFFAOYSA-N 318.381 -0.005 30 20 DBED Cc1cc(C(=O)N2CCN(CC#N)[C@H]3CS(=O)(=O)C[C@H]32)n[nH]1 1094611365 FRPYMQGOZPOQDN-NWDGAFQWSA-N 323.378 -0.835 30 20 DBED N#Cc1cncc(NCCCNC(=O)[C@@H]2CCCNC2=O)n1 1094628265 OPYYUWSITFTYNG-LLVKDONJSA-N 302.338 -0.207 30 20 DBED N#Cc1nc(=NCCCNC(=O)CCc2cnn[nH]2)cc[nH]1 1094792845 UGEQUMGXZBMSHQ-UHFFFAOYSA-N 300.326 -0.561 30 20 DBED C[C@@H]1CN(C)C[C@H]1C(=O)NCCCN=c1cc[nH]c(C#N)n1 1094796110 IWSKJYFHVXOOEM-VXGBXAGGSA-N 302.382 -0.114 30 20 DBED CCC(=O)NCC(=O)N[C@H]1CCN(c2nc(C)cc(C#N)n2)C1 1096331490 OOGWHTRAMFCPRH-NSHDSACASA-N 316.365 -0.122 30 20 DBED CCS(=O)(=O)CC(=O)N[C@H]1C[C@H](Nc2nccnc2C#N)C1 1097033356 SSKUYLAWKXVUIS-MGCOHNPYSA-N 323.378 -0.158 30 20 DBED C[C@@H](CNC(=O)CN1CCOCC1)Nc1cnc(C#N)cn1 1097783718 OJQCZFPFNHWYKY-NSHDSACASA-N 304.354 -0.403 30 20 DBED CC(=O)N(C)CC(=O)N1CC[C@H](n2cc(CNCC#N)nn2)C1 1098618769 JWFBYPLPRHPHOY-ZDUSSCGKSA-N 319.369 -0.857 30 20 DBED C[C@@H](CCNC(=O)[C@H]1CNC(=O)N1)Nc1ccc(C#N)nn1 1099682402 HEEJLCPTWVTGHY-WCBMZHEXSA-N 303.326 -0.664 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)CSCC#N)[C@@H](O)C1 1099692548 CTLQSFNYUPKYCH-OLZOCXBDSA-N 313.423 -0.003 30 20 DBED N#Cc1nccnc1N1CCC[C@H]1CCCNC(=O)C(N)=O 1099875347 AEYHCBSTEJRHGC-SNVBAGLBSA-N 302.338 -0.301 30 20 DBED Cc1cc(C)n(CCC(=O)N[C@H]2CCN(CC#N)C[C@H]2O)n1 1099939835 MSMYUZOISNBACA-UONOGXRCSA-N 305.382 -0.035 30 20 DBED Cc1coc(C(=O)N[C@H]2CCN(CC(=O)NCC#N)C[C@H]2O)c1 1099966812 CSSDWXKEPHHPEA-NWDGAFQWSA-N 320.349 -0.607 30 20 DBED CN(CCNC(=O)c1cn(C)c(=O)n1C)c1ccc(C#N)nn1 1100153509 QTPRYENEIWNJAV-UHFFFAOYSA-N 315.337 -0.748 30 20 DBED C[C@H](C#N)C(=O)NCC1CC(NCCN2C(=O)CNC2=O)C1 1100198257 UREQGDNWGOXDPN-KPPDAEKUSA-N 307.354 -0.818 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CC(CNC(=O)CCOCC#C)C1 1100323897 OSKLTRXWHXNWLC-WLYUNCDWSA-N 319.405 -0.351 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)Cn2ccnc2C)C1 1100987611 LWPOMFXSRHWGHW-UHFFFAOYSA-N 317.393 -0.575 30 20 DBED C[C@H](CC(N)=O)C(=O)NCCN(c1cnc(C#N)cn1)C1CC1 1101431015 WHTLGNWNBOCEBQ-SNVBAGLBSA-N 316.365 -0.055 30 20 DBED CN(CCNc1nccnc1C#N)C(=O)CCn1cncn1 1101501756 JRTHBAHZDJYNFY-UHFFFAOYSA-N 300.326 -0.100 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)[C@@H]2CCCOC2)C1 1101802272 XVUMITJYTCDZHV-RBSFLKMASA-N 321.421 -0.154 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1CNC(=O)c1cocn1 1101815879 XIBJSAMUWPYKOA-GHMZBOCLSA-N 305.338 -0.388 30 20 DBED CC(=O)NCC(=O)NCC[C@@H]1CCN(c2cncc(C#N)n2)C1 1102269619 AUJYJZHLKONODS-GFCCVEGCSA-N 316.365 -0.183 30 20 DBED CC(=O)N[C@H](C)C(=O)N(C)[C@H]1CCN(c2cnc(C#N)cn2)C1 1102668252 HDRKNHGUMZUIBO-MFKMUULPSA-N 316.365 -0.090 30 20 DBED CCC(=O)NCC(=O)NC[C@@H](CC)N=c1cc[nH]c(C#N)n1 1102994497 QMMLMPCLQIIQAR-SNVBAGLBSA-N 304.354 -0.397 30 20 DBED C[C@@H](CN=c1cc[nH]cc1C#N)CNC(=O)CS(C)(=O)=O 1103868279 IBQNDQNPWIRRCN-JTQLQIEISA-N 310.379 -0.416 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CCNC1=O)CNc1cnc(C#N)cn1 1104156981 BXTLJPPXTUGZMT-MWLCHTKSSA-N 302.338 -0.351 30 20 DBED C[C@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)CNc1nccnc1C#N 1104208506 ASOBRAOQDOHZGR-AEJSXWLSSA-N 302.338 -0.366 30 20 DBED C[C@@H](CNc1nccnc1C#N)N(C)C(=O)[C@H]1CN(C)C(=O)N1 1104766012 BELQUQXJMUIFSM-GXSJLCMTSA-N 317.353 -0.369 30 20 DBED C[C@@H](CNc1nccnc1C#N)N(C)C(=O)[C@@H]1CN(C)C(=O)N1 1104766015 BELQUQXJMUIFSM-ONGXEEELSA-N 317.353 -0.369 30 20 DBED CN(CCN(C)c1ncc(C#N)cc1F)C(=O)[C@H]1CNC(=O)N1 1105542367 KFVHMEORDOMYGQ-LLVKDONJSA-N 320.328 -0.332 30 20 DBED CCc1nc(C#N)cc(NC[C@H](O)CNC(=O)[C@@H]2CCCO2)n1 1105737693 JGOVSERCLZAPEY-RYUDHWBXSA-N 319.365 -0.021 30 20 DBED Cc1nc(NC[C@H](O)CNC(=O)CCNC(N)=O)ccc1C#N 1105853243 JTEZWLIPRHGODZ-NSHDSACASA-N 320.353 -0.791 30 20 DBED C[C@H](CC(=O)NC[C@@H](O)CNc1ccc(C#N)nc1)NC(N)=O 1105973521 YMTGINUYOUEKDA-SKDRFNHKSA-N 320.353 -0.711 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@@H](C)[C@H](CNCC(=O)NCC)C1 1106111957 UGLWWICFVNVNAY-MGPQQGTHSA-N 309.410 -0.155 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)c2ccc(N(C)C)nn2)C1 1108346910 BYBGINZFGBZCNU-INIZCTEOSA-N 317.393 -0.004 30 20 DBED CCn1nc(C)c(C(=O)NC[C@]2(C)CN(CC#N)CCO2)n1 1108443339 KTTZFXLUFRGNNT-CQSZACIVSA-N 306.370 -0.049 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)CCCOCC)CC2=O)C1 1108513217 DHRNJHGFBMGBNF-CYBMUJFWSA-N 307.394 -0.162 30 20 DBED COCCC1(C(=O)N[C@@H]2CC(=O)N(C3CN(CC#N)C3)C2)CC1 1108552743 UARBDMRHHQEPBO-GFCCVEGCSA-N 320.393 -0.272 30 20 DBED C=C(C)CN1CC(N2C[C@@H](NC(=O)[C@H](C)CC(N)=O)CC2=O)C1 1108561030 QIRPWHZEQUEFTD-NEPJUHHUSA-N 322.409 -0.525 30 20 DBED CC(=O)N[C@@H](C)C(=O)N[C@H](C)CN(C)c1cncc(C#N)n1 1108818458 NWEPPJUPYXFRHX-ZJUUUORDSA-N 304.354 -0.186 30 20 DBED Cc1cc(C#N)nc(N(C)C[C@@H](C)NC(=O)[C@H]2COC(=O)N2)n1 1108926845 LYWZYVOXVPUDSK-MWLCHTKSSA-N 318.337 -0.294 30 20 DBED C[C@H](CN(C)c1ccc(C#N)nn1)NC(=O)CCn1cnnn1 1109053975 PSNUNXIILMSRAI-SNVBAGLBSA-N 315.341 -0.634 30 20 DBED C[C@@H](CN(C)c1cncc(C#N)n1)NC(=O)C(=O)NCC1CC1 1109060844 OMYKEGCROLXNTG-JTQLQIEISA-N 316.365 -0.185 30 20 DBED C#CCNC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cnon1 1109866908 OJXPUFCCZNTKNZ-NOHGZBONSA-N 317.349 -0.457 30 20 DBED CN1CCOC[C@@H]1C(=O)NCC1(Nc2ccc(C#N)nn2)CC1 1110110630 XTMPYYDZJNLGJT-GFCCVEGCSA-N 316.365 -0.260 30 20 DBED C#CCOCCC(=O)N(C)[C@H]1CN(c2ccnc(C)n2)C[C@@H]1O 1111190908 XVIAFRDADDBCKV-KBPBESRZSA-N 318.377 -0.167 30 20 DBED COC(=O)c1cnc(NCCN(CCO)C(=O)[C@@H](C)C#N)nc1 1111436210 WCQBESRQOTVPLA-JTQLQIEISA-N 321.337 -0.344 30 20 DBED N#Cc1ccc(NCCN(CCO)C(=O)[C@@H]2CCOC2)nn1 1111445432 BZBRDBDTNHEQGA-LLVKDONJSA-N 305.338 -0.382 30 20 DBED Cn1cnc(C(=O)N(CCO)CCN=c2cc[nH]c(C#N)n2)c1 1111456201 SHONCNKZEWKWFE-UHFFFAOYSA-N 315.337 -0.950 30 20 DBED CCOCC(=O)NC1(CN=c2cc[nH]c(C#N)n2)CCOCC1 1112238215 GETQLZORFCQSSI-UHFFFAOYSA-N 319.365 -0.116 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)c2cnccn2)CC1 1112598665 WOTUXVBZEIAMBB-LBPRGKRZSA-N 301.350 -0.628 30 20 DBED C[C@@H](C(=O)N1CCN(CC(=O)NCC#N)CC1)n1cccn1 1112624197 ROCUEXWXFRQBAN-LBPRGKRZSA-N 304.354 -0.772 30 20 DBED COCC(=O)NC1(CO)CCN(c2nc(C)cc(C#N)n2)CC1 1112644293 HIVRAGXINFKBQX-UHFFFAOYSA-N 319.365 -0.249 30 20 DBED Cc1ccc(N2C[C@@H](O)[C@H](CNC(=O)CSCC#N)C2)nn1 1112724619 BLKKMUAWUJNJSO-VXGBXAGGSA-N 321.406 -0.045 30 20 DBED CC(C)C#CC(=O)N1CCN(CCN2C(=O)CCC2=O)CC1 1112830008 UXXVUYSDLMMLQR-UHFFFAOYSA-N 305.378 -0.061 30 20 DBED COCC#CCN1CCN(C(=O)[C@@H]2CCN(C)C(=O)C2)CC1 1113022623 KRCVNVXFSFGDRR-CQSZACIVSA-N 307.394 -0.351 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)[C@]2(C)CCC(=O)N2)CC1 1113314937 SGKFBJDZLCMXSJ-WBMJQRKESA-N 322.409 -0.510 30 20 DBED C=CCNC(=O)NC(=O)CN1C[C@H]2C(NC(=O)CCC)[C@@H]2C1 1113785653 XXQLBQVORKVFJN-GHMZBOCLSA-N 308.382 -0.155 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@@H](C)NC(=O)CC)[C@H]2C1 1114321269 JRVQKJVHVTUCDC-FJJYHAOUSA-N 322.409 -0.750 30 20 DBED C#CCOCCNC(=O)[C@@H](C)S(=O)(=O)C1CCOCC1 1116542477 JBBGVDDMLWSFSF-LLVKDONJSA-N 303.380 -0.265 30 20 DBED Cn1cc(-c2noc([C@H](N)CCCC#N)n2)c(=O)n(C)c1=O 1118102590 FBTCNRSPMZZXMI-SECBINFHSA-N 304.310 -0.172 30 20 DBED O=C1NC(=O)C2(CCC(C(=O)N[C@H]3CCCN(O)C3=O)CC2)N1 1118377613 AVNDOZHFNOOGJB-PUUHTONNSA-N 324.337 -0.749 30 20 DBED CN1CC[C@@H](C(=O)NC[C@@H](CO)Nc2ccc(C#N)cn2)C1 1121588995 DSUPRYSLNIJAEW-OLZOCXBDSA-N 303.366 -0.206 30 20 DBED CCN(CC)CC(=O)NC[C@@H](CO)N=c1cc[nH]cc1C#N 1121660132 VUDNSGRURFDEQS-ZDUSSCGKSA-N 305.382 -0.394 30 20 DBED N#Cc1nc(=N[C@@H](CO)CNC(=O)CCc2ccon2)cc[nH]1 1122234722 JDRHKNSZEXFWOA-LLVKDONJSA-N 316.321 -0.720 30 20 DBED C[C@@H]1CC[C@H](C(=O)NC[C@@H](CO)Nc2nccnc2C#N)O1 1122659184 HWDUQRGOWLAUMW-JFGNBEQYSA-N 305.338 -0.195 30 20 DBED COC[C@H](C)C(=O)N(C)C[C@H](O)CN=c1cc[nH]c(C#N)n1 1124197562 YMGUGVUOTHROOE-WDEREUQCSA-N 307.354 -0.716 30 20 DBED CN(C[C@H](O)CNc1ccc(C#N)nc1)C(=O)[C@H]1COC(=O)N1 1124270847 FMAJVEQXZQQOLF-VXGBXAGGSA-N 319.321 -0.707 30 20 DBED CCOCC(=O)N(C)C[C@@H](O)CN(C)c1ccc(C#N)nn1 1124950531 GODFJRNMMLWZQU-LBPRGKRZSA-N 307.354 -0.360 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)c2ccc(C#N)[nH]2)C1=O 1125783080 NBZSEIIHBOTFPF-CYBMUJFWSA-N 301.350 -0.007 30 20 DBED C=C(C)CN(CC)C(=O)CNCCNC(=O)[C@H](C)n1cncn1 1125931587 XQVVLNMJMUWPNO-ZDUSSCGKSA-N 322.413 -0.031 30 20 DBED CNC(=O)CC(=O)N(C)CCOCCNc1ccc(C#N)nc1 1127274704 DNXDGKNDDLHHQK-UHFFFAOYSA-N 319.365 -0.024 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cn(C2CCC2)nn1 1127498758 OTVXVPILUFXCTJ-UHFFFAOYSA-N 304.354 -0.928 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1cn2c(n1)CCC2 1127648125 GIBJNFHOVRLAHQ-NSHDSACASA-N 303.366 -0.713 30 20 DBED C=CCNC(=O)CNCCNC(=O)CCc1cnn(C)c1C 1128362193 PWADRYNQOVHTLU-UHFFFAOYSA-N 307.398 -0.331 30 20 DBED C[C@H]1CC[C@@H](NC(=O)CCc2nnc(O)nc2O)CN1CC#N 1132149196 HAUFKKAKTPCSMJ-VHSXEESVSA-N 320.353 -0.292 30 20 DBED CC#CCCCC(=O)NCCNC[C@H](O)COCCOC 1132592814 DLQXWQWFDHACRD-AWEZNQCLSA-N 300.399 -0.090 30 20 DBED C#Cc1cncc(C(=O)NCCN[C@@H](C)C(=O)NC(=O)NC)c1 1133597336 OBUCFSGITGRJBB-JTQLQIEISA-N 317.349 -0.774 30 20 DBED C[C@H](C[C@@H](C)NC(=O)c1ccc(S(N)(=O)=O)o1)NCC#N 1134857835 KJEBJMSLFGDRAA-RKDXNWHRSA-N 314.367 -0.063 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)[C@@]2(COC)CCOC2)C1 1150036159 NCJNXCYMEJKPKM-GDBMZVCRSA-N 310.394 -0.120 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@H](C)N(CC)Cc1nnn(C)n1 1153012317 HCBWALNEHIHMME-BXUZGUMPSA-N 310.402 -0.136 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)C[C@@H](C)NC(N)=O 1157960750 ZRRAXVRGYPOTOR-MNOVXSKESA-N 313.402 -0.780 30 20 DBED CC#CCN1CCC(CNC(=O)CC(=O)NC)(COC)CC1 1162229946 IFXYBQWLXXGIRN-UHFFFAOYSA-N 309.410 -0.009 30 20 DBED C#CCNC(=O)CNCC1(CCNC(=O)c2cnsn2)CC1 1163609666 QGFGZNNKWUVMRO-UHFFFAOYSA-N 321.406 -0.223 30 20 DBED COCC#CCNCCCNC(=O)C(=O)N1CCC(C)CC1 1167733917 JJMPZQBLQKPVQS-UHFFFAOYSA-N 309.410 -0.009 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@@H](C)c1c(C)n[nH]c1C 1168585459 CSCAIHXLYGLOOT-NSHDSACASA-N 319.409 -0.025 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)CCCCN[C@H](CC)C(N)=O 1170310544 JGVBITVZUXIBGB-CHWSQXEVSA-N 324.425 -0.346 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@@H]1CCN(C(=O)CC)C1 1170368967 LFLRLQPRAIZMSU-CYBMUJFWSA-N 322.409 -0.910 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)CCNC(=O)NC)C[C@H]21 1176999582 GUWLMFGINRNVPT-CHWSQXEVSA-N 308.382 -0.760 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2n[nH]c(C)c2O)C1 1182042797 WILMVPYVXJBOTR-WDEREUQCSA-N 321.381 -0.081 30 20 DBED Cn1nccc1CCC(=O)N1CC[C@@H](NCC(=O)NCC#N)C1 1182927620 NIHCVNQKVKTOLK-GFCCVEGCSA-N 318.381 -0.817 30 20 DBED COCC#CCN(C)[C@H]1CCN(C(=O)[C@H]2CCC(=O)NC2)C1 1191092330 WCTYYLUASNVPGE-KBPBESRZSA-N 307.394 -0.305 30 20 DBED CC[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](N(C)CC(=O)NCC#N)C1 1191460826 XOYGNFUDRDQLJE-MCIONIFRSA-N 322.409 -0.026 30 20 DBED COCCc1nc(CN2C[C@@H](O)[C@H](NC(=O)[C@H](C)C#N)C2)no1 1191873480 XFVUQPUZHANEKH-GMTAPVOTSA-N 323.353 -0.921 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)NC(=O)c2ccoc2)C1 1193174515 QINNXTSMXXSIDO-MRVWCRGKSA-N 319.361 -0.418 30 20 DBED CCn1ccnc1C(=O)N1CCCN(CC(=O)NCC#N)CC1 1195639471 JDKMUEBAGGHISJ-UHFFFAOYSA-N 318.381 -0.309 30 20 DBED C[C@H]1C[C@H](C(=O)N2CCCN(CC(=O)NCC#N)CC2)CCO1 1197560401 QKTDYOMXQPBZRM-UONOGXRCSA-N 322.409 -0.024 30 20 DBED CC(C)(NC(=O)C(F)(F)F)C(=O)N[C@@H]1CN(CC#N)C[C@H]1O 1198982490 IGBKWLUQTIRYOQ-HTQZYQBOSA-N 322.287 -0.872 30 20 DBED NC(=O)NC(=O)CN[C@@H]1C[C@H](NC(=O)C#CC2CC2)C12CCC2 1202889414 XJEHYXAMTPXRTA-NEPJUHHUSA-N 318.377 -0.388 30 20 DBED C=CCNC(=O)CN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)CC(=O)NC)C2 1204246059 JMFWWXGUFGSCMA-JHJVBQTASA-N 322.409 -0.606 30 20 DBED CC#CCNCC1CCN(C(=O)Cn2ccc(O)nc2=O)CC1 1205635844 JEHOWTBAIZLYHK-UHFFFAOYSA-N 318.377 -0.200 30 20 DBED COCC1(C(=O)N2CCC(CNCC(=O)NCC#N)CC2)CC1 1205698025 BDGBALMPSCAWNZ-UHFFFAOYSA-N 322.409 -0.119 30 20 DBED C=CCNC(=O)NC(=O)CN[C@H]1CCCN(C(=O)[C@@H](C)C#N)C1 1207688869 SZHYCSCKGKQQEU-RYUDHWBXSA-N 321.381 -0.262 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)c2coc(OC)n2)C1 1208771125 WZCBXMNMAYATOB-NSHDSACASA-N 320.349 -0.373 30 20 DBED C=CCNC(=O)[C@H](C)N[C@H]1CCCN(C(=O)Cc2nc[nH]n2)C1 1210584115 CKLGXTOGSPSYCE-RYUDHWBXSA-N 320.397 -0.382 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(CCc2ccnn2C)C[C@H]1OC 1212032295 URICMFJONSDZTK-HUUCEWRRSA-N 322.409 -0.019 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)[C@H]2CN(C)C(=O)N2)C[C@H]1C 1215309401 HBEZHSZDFSGXRW-JHJVBQTASA-N 308.382 -0.904 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)c2cc(C)nn2C)C1 1219269301 FHKRGTHGXGYFNO-OCCSQVGLSA-N 308.382 -0.294 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C2[C@H]3CCCC[C@H]23)C1 1219416331 XLQRTNQHRSCPJX-FQUUOJAGSA-N 319.405 -0.667 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](NC(=O)[C@@H](C)S(C)(=O)=O)C1 1219886446 DQIDBGJCJKUJGE-UTUOFQBUSA-N 304.412 -0.453 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)COc2c(C)occc2=O)C1 1219983897 IPVFOYJGYBWFOO-OCCSQVGLSA-N 320.345 -0.488 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)Cc2ccco2)C1 1220586303 VEXBCWYNCNZNPC-YUTCNCBUSA-N 321.377 -0.326 30 20 DBED N#CCNC(=O)CN1CC[C@@H]2CN(C(=O)[C@H]3CCCOC3)[C@@H]2C1 1221427295 YMUFJYBEYQOHPW-HZSPNIEDSA-N 320.393 -0.415 30 20 DBED COCC(=O)N[C@H](C(=O)N1C[C@H]2CCN(CC#N)C[C@H]21)C(C)C 1221855011 QALGMYPVYFWVSI-NFAWXSAZSA-N 322.409 -0.170 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)[C@@H](OC)C2CC2)CC1 1223034339 YCATZYXHAQRXOO-INIZCTEOSA-N 321.421 -0.011 30 20 DBED C#CCN1CCC(CNC(=O)CCS(=O)(=O)NC)CC1 1223190120 SZEFMLMXKPFJTD-UHFFFAOYSA-N 301.412 -0.613 30 20 DBED CCC(=O)NCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCC#N 1225387909 VJWCJYYPHDQODU-VXGBXAGGSA-N 323.397 -0.831 30 20 DBED C#CCOCCC(=O)NC1CCN(CC(=O)NCC#N)CC1 1227332418 QTKVCVSNIYAMGX-UHFFFAOYSA-N 306.366 -0.753 30 20 DBED N#CCNC(=O)CN1CCC(NC(=O)c2ccns2)CC1 1227588700 SVQOKQWKIMRWAU-UHFFFAOYSA-N 307.379 -0.023 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N1CCO[C@H](COC(C)C)C1 1261154354 JDIYPICZVVXXHX-STQMWFEESA-N 314.382 -0.044 30 20 DBED N#C[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C1 1262232626 ISMCOCSZQQYPBE-BFHYXJOUSA-N 320.393 -0.272 30 20 DBED C#CCOCCC(=O)N[C@H]1CCN(C[C@@H]2CCc3ncnn32)C1 1265283769 IQCLZDMPPVLESX-KBPBESRZSA-N 317.393 -0.004 30 20 DBED C#CCN(CC)C(=O)C(=O)Nc1cccc(S(N)(=O)=O)c1 1318679661 XTUPGZUIOWTNPU-UHFFFAOYSA-N 309.347 -0.246 30 20 DBED C[C@@H](NS(C)(=O)=O)C(=O)NCc1ccc(C(=O)NO)cc1 1322365934 GGRAVDZRRCAXKJ-MRVPVSSYSA-N 315.351 -0.641 30 20 DBED C#CCCCNC(=O)C(=O)NCC1(S(C)(=O)=O)CCC1 1323659064 LMDYKTGNVAASMT-UHFFFAOYSA-N 300.380 -0.401 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@](C)(C#N)CCOC)C1=O 1324183671 YOPZFQZYQASGLR-CQSZACIVSA-N 322.321 -0.602 30 20 DBED CS(=O)(=O)CC1CCC(=NNC(=S)NCC(N)=O)CC1 1324924921 HJYMOAARUUARGU-UHFFFAOYSA-N 320.440 -0.473 30 20 DBED COCC[C@@H](CO)NC(=O)C(=O)Nc1cc(C)nn1CCC#N 1325147367 VQBFLWCIRLYEAK-NSHDSACASA-N 323.353 -0.443 30 20 DBED C#CCCCCNC(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 1326741880 MOYVPJADZOUPFO-ZIAGYGMSSA-N 307.394 -0.115 30 20 DBED C#C[C@@H](NC(=O)C(=O)N(C)Cc1nnc(C)o1)[C@H]1CCCO1 1328452639 SRSZONMFOASJKW-GHMZBOCLSA-N 306.322 -0.367 30 20 DBED CC[C@H]1C(=O)N(CC)CCN1C(=O)C(=O)N1CCO[C@@H](C#N)C1 1331198101 SYWPJWVXAUUSDZ-RYUDHWBXSA-N 322.365 -0.793 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)N2CCCC[C@@H]2CN)CCN1C1CC1 1332138324 UIWGEGFNSPLNNS-KGLIPLIRSA-N 319.409 -0.475 30 20 DBED CN(CC1=CCSC1)C(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1333456081 MVGKCMOOEHYJDR-AWEZNQCLSA-N 309.391 -0.005 30 20 DBED C=C[C@H]1CCCCN1C(=O)C(=O)N[C@@H]1CCS(=O)(=O)C1 1334808294 OCZGGPLVKPALFH-MNOVXSKESA-N 300.380 -0.143 30 20 DBED C#CCCn1nnnc1N1CCN(S(=O)(=O)C2CC2)CC1 1335988781 OJVRTSBWODIJQY-UHFFFAOYSA-N 310.383 -0.689 30 20 DBED C#CCSCCNC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1336141369 WSNSORDLQYWPOQ-CYBMUJFWSA-N 320.418 -0.332 30 20 DBED N#C[C@H]1CCCN(C(=O)C(=O)NCC2(N3CCOCC3)CC2)C1 1341534558 SNDXZRYQJKOJIG-CYBMUJFWSA-N 320.393 -0.270 30 20 DBED C=CC[C@@H](CC)NC(=O)C(=O)NCCS(=O)(=O)NCC 1346181362 CNESRMJGCLXCQG-SNVBAGLBSA-N 305.400 -0.487 30 20 DBED C=C[C@H](CO)NC(=O)C(=O)Nc1ccnn1C[C@H]1CCOC1 1347038434 SKRVLALSMPIQFN-GHMZBOCLSA-N 308.338 -0.479 30 20 DBED CN(CCCCNC(=O)C(=O)N1CC[C@@](O)(CC#N)C1)C1CC1 1349260860 XZTGWMLCBYYASM-INIZCTEOSA-N 322.409 -0.146 30 20 DBED N#Cc1ccc(NCC(=O)NCC2(C(N)=O)CCOCC2)nc1 1361639079 HJDSDFRSIPSUKR-UHFFFAOYSA-N 317.349 -0.237 30 20 DBED CN(CC1CCOCC1)C(=O)Cn1cc(C#N)c(O)nc1=O 1362592650 CAEHLYMCAZSKLV-UHFFFAOYSA-N 306.322 -0.294 30 20 DBED CC(C)C1(O)CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)CC1 1364062952 DIWGUJSOPDFGPX-GFCCVEGCSA-N 317.411 -0.062 30 20 DBED CCN(C)CCC(=O)NCCN1CCN(C(=O)[C@@H](C)C#N)CC1 1372222985 YKAKCWVTZMNDHQ-AWEZNQCLSA-N 323.441 -0.252 30 20 DBED N#Cc1ccc(CNC[C@@H](O)CNC(=O)[C@H]2COCCO2)cc1 1374585914 KWXRRVAOLKMBRW-HUUCEWRRSA-N 319.361 -0.460 30 20 DBED CC(=O)N[C@@H](C)C(=O)N[C@H](C)CNC(=O)c1cc(C#N)c[nH]1 1386717159 WAFRPYRLIFYJGG-BDAKNGLRSA-N 305.338 -0.355 30 20 DBED CCC(=O)N[C@H](C)C(=O)N1CC(NC(=O)c2cc(C#N)c[nH]2)C1 1389163345 AMTBRXMZSJQURA-SECBINFHSA-N 317.349 -0.258 30 20 DBED C[C@H](CNC(=O)c1cc(C(N)=O)ccn1)NC(=O)[C@H](C)C#N 1397484564 JXHBQQOESHUXCC-RKDXNWHRSA-N 303.322 -0.425 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCNC(=O)COCc1nncn1C 1398018957 JOOJQBFEWWUWOU-JTQLQIEISA-N 308.342 -0.934 30 20 DBED CC(C)C(=O)NC1CCN(C(=O)Cn2cnc(C#N)n2)CC1 1411649996 XOONHSIBMWODPL-UHFFFAOYSA-N 304.354 -0.087 30 20 DBED CCNC(=O)CN(CC)C(=O)CCn1cc(C#N)c(O)nc1=O 1412435498 NRZFYKOSEXICGD-UHFFFAOYSA-N 321.337 -0.805 30 20 DBED CN(C)C(=O)N[C@H]1CCCN(S(=O)(=O)N(C)CCC#N)C1 1414279150 YTCGWHQWYGRPRL-NSHDSACASA-N 317.415 -0.188 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@H](NCCN2CCCS2(=O)=O)C1 1419396798 BPWGQALHZLZYOT-IJLUTSLNSA-N 314.411 -0.582 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](C1CC1)N(C)C(=O)CCNC(N)=O 1424902627 QKCFTZDHFOAORL-GXSJLCMTSA-N 309.370 -0.442 30 20 DBED N#Cc1cn(CCC(=O)N2C[C@@H]3C[C@@]3(CO)C2)c(=O)nc1O 1433915950 NQFNTMMRKGTXTM-HZMBPMFUSA-N 304.306 -0.949 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@@H]1CCN(C(=O)CCc2cnn[nH]2)C1 1446688791 RHHAYFPEGAVELY-ZYHUDNBSSA-N 304.354 -0.044 30 20 DBED C[C@@H](C#N)C(=O)N(C)C1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1 1450733943 PTZVICTUKLABND-WCQGTBRESA-N 306.366 -0.283 30 20 DBED C[C@H](C#N)C(=O)NC[C@](C)(NC(=O)c1cnn(C)n1)C1CC1 1451264467 GACXNKZOJNYODF-OTYXRUKQSA-N 304.354 -0.011 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)COc2cnn(C)c2)CC1 1459100977 YRKRWCCXHBJKST-SNVBAGLBSA-N 305.338 -0.276 30 20 DBED CCOC(=O)[C@@H](C)[C@H](C)NC(=O)Cn1cc(C#N)c(O)nc1=O 1466367691 HFHPLIJCJVAUKV-IUCAKERBSA-N 322.321 -0.476 30 20 DBED Cc1nc(C(=O)N2CCSC[C@H]2C#N)nn1-c1nc[nH]n1 1466486213 KEGZODHBXXDWQY-MRVPVSSYSA-N 304.339 -0.225 30 20 DBED COCC(C)(C)CNC(=O)NCCn1cc(C#N)c(O)nc1=O 1478750217 QVDGOKSKDWGFBB-UHFFFAOYSA-N 323.353 -0.208 30 20 DBED C=CCn1c(C[C@H](C)O)nnc1N1CCO[C@H](CNC(C)=O)C1 1520350648 SVEWTELHRLOHAW-WCQYABFASA-N 323.397 -0.271 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CCN(Cc2nnnn2C2CC2)C1 1566663128 VKHDEEHOUCHIQG-NWDGAFQWSA-N 318.381 -0.263 30 20 DBED CO[C@@]1(CO)CCCN(c2cnc(-c3nn[nH]n3)c(C#N)n2)C1 1570918650 RUMSDSROCGYYSU-ZDUSSCGKSA-N 316.325 -0.494 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](Nc2ccc(-c3nn[nH]n3)nn2)C1 1573564171 HHEJALBDOCJTBC-IUCAKERBSA-N 313.325 -0.171 30 20 DBED C#CCn1cc(CNS(=O)(=O)N(C)CCC(=O)O)cn1 1588509487 HUROCEBIWLGISN-UHFFFAOYSA-N 300.340 -0.743 30 20 DBED C=C[C@@H](C(=O)O)N1CCN(S(=O)(=O)CCCOC)CC1 1588669234 GQJZCRINBNEDSY-NSHDSACASA-N 306.384 -0.391 30 20 DBED C=CC[C@H](C(=O)OC)N1CCS(=O)(=O)C[C@@H]1CC(=O)O 1588731052 CHLOWLSVFCKIKD-VHSXEESVSA-N 305.352 -0.322 30 20 DBED C=CCCn1cc(C(=O)N2C[C@H](C(=O)O)[C@@H](C(=O)OC)C2)nn1 1588817588 OHNFOUTVMKTGCW-UWVGGRQHSA-N 322.321 -0.200 30 20 DBED CC1=NO[C@](C)(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[nH]2)C1 1590162055 JGZMYLOQPOAUPF-NSHDSACASA-N 301.270 -0.045 30 20 DBED N#CC1(CNC(=O)NCCn2cnc(-c3nn[nH]n3)n2)CC1 1592668925 RLKAGDZVGXKBAN-UHFFFAOYSA-N 302.302 -0.939 30 20 DBED N#CC1(C(=O)O)CCN(C(=O)C2=NN(CCO)C(=O)CC2)CC1 1601049748 VWRXSGUAUDRMJT-UHFFFAOYSA-N 322.321 -0.826 30 20 DBED N#CCSCC(=O)N1CCN(C(=O)[C@H]2C[C@H]2C(=O)O)CC1 1601076332 PHRYUJSBAOBNBF-VHSXEESVSA-N 311.363 -0.365 30 20 DBED CCC(=O)N1CC[C@@H](Nc2cnc(-c3nn[nH]n3)c(C#N)n2)C1 1603968737 DVJUAASDIXYOJM-MRVPVSSYSA-N 313.325 -0.049 30 20 DBED N#Cc1c(COC(=O)[C@H]2CCS(=O)(=O)N2)cccc1C(=O)O 1608190472 GMJXOEICNRLUDM-LLVKDONJSA-N 324.314 -0.009 30 20 DBED Cn1c(=O)nc(O)c2cc(C(=O)N(CC#N)CC(=O)O)cnc21 1610594618 RSSYCCKZVJZRLM-UHFFFAOYSA-N 317.261 -0.916 30 20 DBED CN1CCN(C(=O)CNC(=O)COc2ccccc2C#N)CC1 1649354960 QUCDBEGDVFOOOX-UHFFFAOYSA-N 316.361 -0.173 30 20 DBED COCCn1nnnc1N1CCN(c2cc(C#N)ccn2)CC1 1650043906 ZMKVCPOEWNGUKR-UHFFFAOYSA-N 314.353 -0.087 30 20 DBED Cc1nnsc1C(=O)N1CC[C@H](NCC(=O)NCC#N)C1 1752548936 RIQGXSIPBQYJON-VIFPVBQESA-N 308.367 -0.710 30 20 DBED C#CCCN[C@H]1C[C@H](NC(=O)CS(=O)(=O)NC(C)(C)C)C1 1752682921 VKUZSJXEUAZOPJ-HAQNSBGRSA-N 315.439 -0.036 30 20 DBED COCC#CCN[C@@H](C)CNC(=O)[C@H](NC(N)=O)C(C)(C)C 1752913383 JNDXUQKQNLUTLR-RYUDHWBXSA-N 312.414 -0.187 30 20 DBED C#CCNC(=O)CNC[C@@H]1CCN(C(=O)c2cccnn2)C1 1752954294 RKUFMPXBMIAXEZ-LBPRGKRZSA-N 301.350 -0.722 30 20 DBED CCN1C[C@@H](C(=O)NCC[C@@H](C)NCC#CCOC)CC1=O 1753007558 STIFHDWVPNLXOP-KGLIPLIRSA-N 309.410 -0.011 30 20 DBED C[C@H](CCNC(=O)Cc1cscn1)NCC(=O)NCC#N 1753014949 WIYPWEWGUHBSFX-SNVBAGLBSA-N 309.395 -0.190 30 20 DBED C=CCOCCN(C)CCNC(=O)c1ccc2nnnn2c1 1753057201 RQJQIGIQTAIAFY-UHFFFAOYSA-N 304.354 -0.012 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)NCCN(C)[C@H]1CCCNC1=O 1753066936 UOULWOKBSBNQQM-KGLIPLIRSA-N 324.425 -0.216 30 20 DBED C=CCN1CC[C@@H](N(C)CCNC(=O)C(C)(C)NC(C)=O)C1=O 1753067499 NLHPTDFPYKYEPW-CYBMUJFWSA-N 324.425 -0.264 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC(NC(=O)c2cncnc2C)C1 1753371077 CCPUXCZSRLBNPM-LLVKDONJSA-N 303.366 -0.110 30 20 DBED C#CCNC(=O)CN1CC(NC(=O)Cc2ccc(CC)cn2)C1 1753387249 LADAKAZCWGNYST-UHFFFAOYSA-N 314.389 -0.264 30 20 DBED C#CCN1CCC(C(=O)N[C@H](C)CN[C@H](C)C(=O)N(C)C)CC1 1754254502 DSHPNHRPNCZDQF-ZIAGYGMSSA-N 322.453 -0.097 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H](CNCc1nnn(C)n1)C1CC1 1754438810 GQGTXRZPODTKMA-JQWIXIFHSA-N 306.370 -0.767 30 20 DBED C#CCNC1(CNC(=O)c2ccc(C(N)=O)nc2)CCOCC1 1754741745 NFIQFJQNHSIEIH-UHFFFAOYSA-N 316.361 -0.318 30 20 DBED CC(C)CN1C[C@H](C(=O)NC[C@]2(O)CCN(CC#N)C2)CC1=O 1754753317 DECKYOUKIKEABE-CZUORRHYSA-N 322.409 -0.433 30 20 DBED C[C@@H]1CN(C(=O)COCC2CC2)C[C@@H]1CNCC(=O)NCC#N 1754813574 RAOPYYPSUQAVKD-OCCSQVGLSA-N 322.409 -0.263 30 20 DBED CNC(=O)[C@@H](C)N1CCC[C@](CO)(NC(=O)C#CC2CC2)C1 1754856051 CBRSNCHVRJKWDS-WBMJQRKESA-N 307.394 -0.523 30 20 DBED C=CCN1CCC[C@](CO)(NC(=O)c2nc3ncccn3n2)C1 1754859532 YXXNPSCDILHKDM-HNNXBMFYSA-N 316.365 -0.133 30 20 DBED C#CCCNCCN(CCO)C(=O)c1c(C)nn(C)c1OC 1754892911 DKFKEIHIUWKWQK-UHFFFAOYSA-N 308.382 -0.215 30 20 DBED C=CCNC(=O)CN[C@H](C)[C@H](C)NC(=O)Cn1ccccc1=O 1755269773 QYPKHCBBHPPJIL-OLZOCXBDSA-N 320.393 -0.367 30 20 DBED C#CCNC(=O)[C@H](C)N1CC([C@H](C)NC(=O)c2cnco2)C1 1755382450 OIRLBQVZIMZJKB-QWRGUYRKSA-N 304.350 -0.137 30 20 DBED CCO[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H](CNCC(=O)NCC#N)C1 1755465933 BHKOEXOKLBHWGR-FDYHWXHSSA-N 308.382 -0.464 30 20 DBED N#CCNC(=O)CNC[C@@H]1CC[C@H](NC(=O)c2cn[nH]c2)C1 1755731973 ZWVGZMODKMCICQ-PWSUYJOCSA-N 304.354 -0.462 30 20 DBED C[C@@H](NC(=O)C(C)(C)C(N)=O)C1CN(C(=O)C#CC2CC2)C1 1756144224 FHZPBWHSKCFWSX-SNVBAGLBSA-N 305.378 -0.126 30 20 DBED C=CCOCC(=O)N1CC([C@@H](C)NC(=O)Cc2n[nH]c(C)n2)C1 1756149412 BBGNXHJNNOKUOU-SNVBAGLBSA-N 321.381 -0.179 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2ccccc2=O)C1 1756995302 PYNUGVDENKVZLS-CHWSQXEVSA-N 319.361 -0.498 30 20 DBED CC#CCCCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCOC2)C[C@@H]1O 1757201580 NXTYCAIDFDGILM-MCIONIFRSA-N 308.378 -0.096 30 20 DBED C=CCCCC(=O)N(CCO)[C@H]1CCCN(C(=O)C(N)=O)C1 1757465671 PFDSCNBORDZSAB-LBPRGKRZSA-N 311.382 -0.360 30 20 DBED CC[C@H](NN=C1CS(=O)(=O)N2C[C@@H](OC)C[C@@]12C)C(=O)O 1776067100 PVISEIBEZSBSJL-AUTRQRHGSA-N 319.383 -0.382 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1csc(N)n1)CCO2 1783049474 AKJAGEZFIHWHJJ-AWEZNQCLSA-N 320.374 -0.198 30 20 DBED CC[C@@H](NC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC#N 1795418491 ACGWCANYTSRFPM-QVHKTLOISA-N 322.409 -0.122 30 20 DBED N#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(N)=O)C2 1795420668 SWWJAGFRGAIVCQ-QHBPRCKVSA-N 322.365 -0.855 30 20 DBED C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)CN 1795517391 UONGATNVJXCMNE-NGDQXYMTSA-N 315.439 -0.511 30 20 DBED C#CC(=O)N1CC2(CCCN2C(=O)c2nccnc2C(N)=O)C1 1844596879 QDBZOGOZGGHKKK-UHFFFAOYSA-N 313.317 -0.974 30 20 DBED N#CCCC(=O)N1CC2(CCCN2C(=O)Cn2nccn2)C1 1845264805 CQLPGJTVARSUMQ-UHFFFAOYSA-N 302.338 -0.215 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)CNC(C)=O)C1 1845989661 OMXOZLJAECRBPJ-LBPRGKRZSA-N 321.377 -0.636 30 20 DBED CC(C)(O)CC(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846195198 OEXXVBWTUVMSLO-UHFFFAOYSA-N 308.334 -0.561 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)N2CCC[C@H]2C(N)=O)cc1 123351123 RQQFXZPXUIVZCE-LBPRGKRZSA-N 300.318 -0.236 30 20 DBED C=CCNC(=O)CNC(=O)N[C@H](C(N)=O)c1ccc(F)cc1 154497659 NWOBUMFBHKZXJK-LBPRGKRZSA-N 308.313 -0.047 30 20 DBED CN(CCC#N)C(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 266303315 UMZVTIXPAHHHPA-FPQZTECRSA-N 305.334 -0.089 30 20 DBED CS[C@H]1CN(c2c(C#N)c(=O)n(C)c(=O)n2C)C[C@H]1N(C)C 270302609 AYIBYXHHAGPOFM-MNOVXSKESA-N 323.422 -0.563 30 20 DBED CC(C)(C#N)c1ccc(NC(=O)C(=O)NC[C@@H](O)CO)cc1 275596615 FCOXODJYIALBRC-GFCCVEGCSA-N 305.334 -0.104 30 20 DBED CCOC(=O)CO/N=C(/C(=O)N[C@@H](CC)CO)c1cc[nH]n1 278401403 XEDNYCUVVGBHOV-NXVNHVPESA-N 312.326 -0.419 30 20 DBED Cc1cccc(=O)n1C[C@@](C)(O)C(=O)N1CCN(CC#N)CC1 280293455 GTMFAPJDMHAYGS-MRXNPFEDSA-N 318.377 -0.425 30 20 DBED CCN(CC(N)=O)C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 290854405 ZCIVHNAJVXZROT-UHFFFAOYSA-N 324.362 -0.830 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2CCN(C)CC2)C1=O 298003098 YIZOYIRFLSMXHJ-GFCCVEGCSA-N 308.382 -0.994 30 20 DBED C[C@@H](CCS(C)(=O)=O)Nc1c(C#N)c(=O)n(C)c(=O)n1C 301685952 VOTPXGXDHXFZLB-QMMMGPOBSA-N 314.367 -0.809 30 20 DBED C[C@@H]1CN(/C(O)=N/[C@@H]2CCN(C)C2=O)C[C@@H](C)S1(=O)=O 329613948 OYNFXQUJVMVHPW-OPRDCNLKSA-N 303.384 -0.362 30 20 DBED CC(=O)N1CCC[C@@H](CNc2c(C#N)c(=O)n(C)c(=O)n2C)C1 330167933 WCWQDEBBEGKVAA-NSHDSACASA-N 319.365 -0.374 30 20 DBED CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@H](S(N)(=O)=O)C1 330660729 UXSGXTFOSWTPHE-NEPJUHHUSA-N 316.427 -0.253 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CCS(=O)(=O)[C@H](C)[C@H]1C 337085455 DJHXETBDZDOVHG-GHMZBOCLSA-N 323.440 -0.026 30 20 DBED C[C@H](CO)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 343178395 QAMOXSSHYQVWTF-NXEZZACHSA-N 311.363 -0.278 30 20 DBED N#CCCN(CCC#N)C(=O)CN1CCN2C(=O)CC[C@H]2C1 346461495 SGCWGMOULFCEDP-ZDUSSCGKSA-N 303.366 -0.051 30 20 DBED COC(=O)CCN1CC[C@H](NS(=O)(=O)CCCC#N)C1=O 347206076 LTNCKQSUDIDTPP-JTQLQIEISA-N 317.367 -0.626 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H]2CC[C@@H](O)C2)C1=O 356631869 ZVGZQWLIWWUTAT-VHSXEESVSA-N 309.322 -0.760 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C(N)=O)cc2F)CCO1 359247408 FORKZWDTUQJKII-SECBINFHSA-N 320.280 -0.386 30 20 DBED CN(CCC#N)S(=O)(=O)N1CCC(C)(C)S(=O)(=O)CC1 408452424 PHVSYSJVPTXBNY-UHFFFAOYSA-N 323.440 -0.024 30 20 DBED CC(C)N=c1[nH]c(=NCCO)[nH]c(=NCC(C)(C)CC#N)[nH]1 413408854 NJEUJOAPVVINOK-UHFFFAOYSA-N 307.402 -0.286 30 20 DBED C[C@@H]1CCCN(S(=O)(=O)N2CCO[C@H](C#N)C2)[C@@H]1C(=O)O 424367386 LVHOPJZAFGVUMU-MXWKQRLJSA-N 317.367 -0.359 30 20 DBED C=CCC[C@H](NC(=O)[C@@H](C)NS(C)(=O)=O)C(=O)OCC 456636250 XVABMYYOJADWOZ-ZJUUUORDSA-N 306.384 -0.062 30 20 DBED C#CCN1CCN(C(=O)CN2CC[C@@H](C(=O)OC)[C@@H]2C)CC1 490738678 CCLKKLGUYUBTPB-UONOGXRCSA-N 307.394 -0.353 30 20 DBED C=CCCn1cc(C(=O)N[C@@H](C)C(=O)NCCN(C)C)nn1 568222192 JVTLXTIKPYGZQI-NSHDSACASA-N 308.386 -0.350 30 20 DBED N#CCNC(=O)CNC(=O)N[C@H]1CCN(C(=O)C2CCCC2)C1 588166362 KEBOXRCYHWQRHO-LBPRGKRZSA-N 321.381 -0.284 30 20 DBED COC(=O)c1ccc(N2CCN(CC(N)=O)CC2)c(C#N)n1 589114139 XHMJXKBTCYTGDK-UHFFFAOYSA-N 303.322 -0.653 30 20 DBED COc1ccccc1[C@H](N)CNC(=O)Cn1cnc(C#N)n1 593900182 LGAMEFVWEHWTBA-LLVKDONJSA-N 300.322 -0.025 30 20 DBED Cn1cc(N2C[C@@H](C(=O)N3CC[C@](O)(CC#N)C3)CC2=O)cn1 600061175 APOKYCVLVJBMAF-XHDPSFHLSA-N 317.349 -0.350 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N1CC2(C1)CS(=O)(=O)C2 603369411 JWPPGODAVCJGAH-SECBINFHSA-N 307.397 -0.947 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)nn1 648750094 DRTQGXASIKHPMF-SNVBAGLBSA-N 313.383 -0.382 30 20 DBED COc1cc(C=NNC(=S)NCC(N)=O)ccc1OCC#N 731929581 IFXDEIBVAJGPDD-UHFFFAOYSA-N 321.362 -0.119 30 20 DBED C#CCCCNC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 742786157 JOMQNWXWIPKIHH-VXGBXAGGSA-N 312.391 -0.448 30 20 DBED C=CCNC(=O)COC(=O)c1cc(S(N)(=O)=O)c(C)o1 756448836 QUWQMROBISKLNB-UHFFFAOYSA-N 302.308 -0.306 30 20 DBED C=C(CN(C)C)C(=O)N1CCN(CC(=O)N2CCCC2)CC1 763955728 XNATVKAMLDFRNB-UHFFFAOYSA-N 308.426 -0.129 30 20 DBED Cc1ccc(S(=O)(=O)NN=Cc2cn(CC(=O)O)nn2)cc1 768475782 CUFNSLMJVGHOJJ-UHFFFAOYSA-N 323.334 -0.016 30 20 DBED C=C(Br)CNC(=O)C(=O)NCCOCCOC 789914126 LSKLTSCHYHXCCA-UHFFFAOYSA-N 309.160 -0.210 30 20 DBED CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)NCC(=O)NCC#N 804820249 CWZYZQUZRRTYEO-QMMMGPOBSA-N 308.260 -0.555 30 20 DBED CCN(CCC#N)C(=O)COC(=O)CCn1ncn(C)c1=O 815270263 QHXNXBCOOIRPIR-UHFFFAOYSA-N 309.326 -0.723 30 20 DBED C#CCOCCNC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2s1 828334550 UEMZRFYBWIBESW-UHFFFAOYSA-N 321.358 -0.322 30 20 DBED C#CC[C@H](NS(=O)(=O)CC(C)(C)C(=O)OC)C(=O)OC 841538748 CVJMRHIEDNZPGW-VIFPVBQESA-N 305.352 -0.330 30 20 DBED C#CCOc1ccc(NC(=O)C(=O)NC(C)(CO)CO)cc1 845965319 WXHAHMSOWVFEIO-UHFFFAOYSA-N 306.318 -0.503 30 20 DBED C#CCC[C@H](O)CNC(=O)c1oc(S(N)(=O)=O)cc1C 847162546 ZLVNEOFINAQHFS-VIFPVBQESA-N 300.336 -0.260 30 20 DBED CC(C)[C@](C)(C#N)NC(=O)COC(=O)CN1CC(=O)N(C)C1=O 860303492 LONPFNIULKLEDW-AWEZNQCLSA-N 324.337 -0.522 30 20 DBED C#CCN1CCC[C@@H](NC(=O)NCCn2cnc(C#N)n2)C1 884342830 LIOAFQXMKHSTIJ-GFCCVEGCSA-N 301.354 -0.453 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@H]3CC[C@H]2[C@H](O)C3)C1=O 899769134 VVQVEGFRSCRIEU-GARJFASQSA-N 321.333 -0.665 30 20 DBED Cc1nn(C)cc1C1=NO[C@@H](C(=O)N2CCN(CC#N)CC2)C1 933237587 ZAPDHKGHPKZHKS-CQSZACIVSA-N 316.365 -0.111 30 20 DBED CC(=O)N1CC(C(=O)N[C@@H]2CCN(C(=O)C#CC3CC3)C2)C1 940179694 DNNDGAIVWSCXFY-CQSZACIVSA-N 303.362 -0.405 30 20 DBED C#CCN1CCC(C(=O)N[C@@H]2CCN(C(=O)COC)C2)CC1 940964186 KXLOCOGWFVHCLT-CQSZACIVSA-N 307.394 -0.305 30 20 DBED NC(=O)CC(=O)N1CC[C@H]2CN(C(=O)C#CC3CC3)CC[C@H]21 945950887 FXDGEURFQQGWBJ-QWHCGFSZSA-N 303.362 -0.275 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1cc[nH]n1 950752716 CWBBALFEZVYETK-JSGCOSHPSA-N 315.377 -0.162 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)[C@@H]1CCCO1 950755102 DGAMXXIZCJTGCL-KKUMJFAQSA-N 319.405 -0.020 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2CCN2C(=O)Cn2nccn2)cn1 951381510 IJNPGUFSZKSUSL-CQSZACIVSA-N 324.344 -0.315 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2cnc3[nH]c(O)nc3c2)C1 958195856 LMLSUCRPUZEJJQ-ZYHUDNBSSA-N 315.333 -0.681 30 20 DBED C#CCCN1C[C@H](O)[C@H](CNC(=O)c2ccc(C(N)=O)o2)C1 958240007 XCYUFSXFWDTVQR-MNOVXSKESA-N 305.334 -0.576 30 20 DBED N#CCN1C[C@@H](O)[C@H](CNC(=O)c2cnn(CC3CC3)c2)C1 958574998 SOACIOJOPQLPDR-TZMCWYRMSA-N 303.366 -0.161 30 20 DBED CC[C@H](C(N)=O)N1C[C@H]2C(NC(=O)c3c[nH]c(C#N)c3)[C@@H]2C1 958618509 SHHXGSRYUFXIFG-IJLUTSLNSA-N 301.350 -0.190 30 20 DBED CO[C@H](C)C(=O)N1CCN(C2CN(C(=O)[C@H](C)C#N)C2)CC1 967194071 LWVYJTFFXBHAIE-VXGBXAGGSA-N 308.382 -0.464 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)CC2=CCOCC2)C1 970335260 IZHGAZHPAKJSHJ-RTXFEEFZSA-N 307.350 -0.429 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CCNC3=O)C2)c1 973148859 IHUMUQPMUIEUMD-GMTAPVOTSA-N 315.333 -0.601 30 20 DBED C=CCn1cc(C(=O)N[C@H]2C[C@@H](NC(=O)c3cn[nH]c3)C2)nn1 973909527 TTXWCVNJLXBEFL-PHIMTYICSA-N 315.337 -0.122 30 20 DBED C#CCCN1C[C@H](NC(=O)CN2CC(=O)N(C)C2=O)C(C)(C)C1 977458506 BQLKUWJUXRDPLI-LBPRGKRZSA-N 320.393 -0.270 30 20 DBED CC1(C)NC(=O)N(CC(=O)N[C@H]2CN(CC#N)CC2(C)C)C1=O 977583867 GWVQMEZIXKPAQK-JTQLQIEISA-N 321.381 -0.333 30 20 DBED C#CCCN1C[C@H]2[C@H](CNC(=O)c3cc(=O)n(C)cn3)[C@H]2C1 978315398 ZVCOZJSGRCNMGL-XYYAHUGASA-N 300.362 -0.289 30 20 DBED N#CCN1C[C@H]2C(CNC(=O)C3CC4(C3)CS(=O)(=O)C4)[C@@H]2C1 978359673 UJZIRPTWFOQXGU-STQMWFEESA-N 323.418 -0.371 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)Cn3ncnn3)C[C@@H]2C1 986150140 DVWXIYAWCZCOQE-UTUOFQBUSA-N 317.353 -0.860 30 20 DBED C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)Cn2ncn(C)c2=O)C1 989061386 FHZAYMYCMRWODM-QWRGUYRKSA-N 313.789 -0.087 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)[C@@]23COC[C@@H]2C3)C1 993526170 SIORSTBGIKSARY-GXCBOPRBSA-N 306.362 -0.059 30 20 DBED CC1(C)CN(C(=O)[C@H]2CCc3nnc(O)n3C2)C[C@H]1NCC#N 995983054 WKYJIAYIRRTDIZ-WDEREUQCSA-N 318.381 -0.104 30 20 DBED Cc1nonc1CC(=O)NC1CN(C(=O)c2ccc(C#N)[nH]2)C1 998906523 IETGKEJRFABXIN-UHFFFAOYSA-N 314.305 -0.239 30 20 DBED COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCN(C(=O)C#CC2CC2)CC1 1010678835 WDOZRKWSXJZILY-QWHCGFSZSA-N 304.346 -0.120 30 20 DBED C[C@@H](C(=O)N1CCN(C(=O)[C@H](C)C#N)CC1)S(C)(=O)=O 1011412709 VGLOTAJGFDZWQJ-ZJUUUORDSA-N 301.368 -0.750 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCN(Cc2nnn(C)n2)C1 1014470780 PBEZQLGUSCQIDM-XQQFMLRXSA-N 320.397 -0.118 30 20 DBED C#CCN1CCC(C(=O)N[C@H]2CCN([C@H]3CCNC3=O)C2)CC1 1016336914 OKNWKXHSUNUUEB-GJZGRUSLSA-N 318.421 -0.589 30 20 DBED COCCN1C[C@H](C(=O)N2[C@H]3CC[C@H]2CN(CC#N)C3)CC1=O 1017597936 ZVLYILZTLCDNAI-RDBSUJKOSA-N 320.393 -0.320 30 20 DBED N#Cc1cc(C(=O)N2CC[C@H](NCCN3CCNC3=O)C2)c[nH]1 1018747907 PDJOLHLBPDVUBY-LBPRGKRZSA-N 316.365 -0.284 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(C1)CN(C(=O)[C@H]1COC(=O)N1)C2 1018986469 IANXLKGSMJYMNH-VHSXEESVSA-N 306.322 -0.685 30 20 DBED N#Cc1ccccc1CN[C@H]1C[C@H](NC(=O)Cn2ncnn2)C1 1020156270 DRSIHWXJAFVVRK-HDJSIYSDSA-N 311.349 -0.018 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H](N[C@H]2CCN(C)C2=O)C1 1020251560 TWJVWZWHGMOBOV-AJNGGQMLSA-N 318.421 -0.449 30 20 DBED N#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2c(O)nnc2O)C1 1021722280 NACBPSHUNOVGBV-WDEREUQCSA-N 320.353 -0.474 30 20 DBED C=CCN1CCC[C@H](CNC(=O)[C@@H]2CCS(=O)(=O)N2)C1 1023753410 FJJPLOOEYUIMRS-NEPJUHHUSA-N 301.412 -0.308 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2C[C@H](NC(=O)C(N)=O)C23CCC3)c1 1025898334 HHKGABDRKQOHQV-MNOVXSKESA-N 315.333 -0.471 30 20 DBED C#CCN[C@@H]1CC[C@@H]2CN(C(=O)CCn3ncn(C)c3=O)C[C@@H]21 1026314514 CNOZZIVNQKCWEH-HZSPNIEDSA-N 317.393 -0.568 30 20 DBED CN1CC[C@@H](C(=O)NC2CCC(NCC#N)CC2)S1(=O)=O 1026575807 JTBNVVNSTRINKG-MCIGGMRASA-N 314.411 -0.439 30 20 DBED CNC(=O)CN1[C@H]2CC[C@H]1CN(C(=O)c1cc(C#N)c[nH]1)C2 1029259704 RAQDHUWWGTZZIR-RYUDHWBXSA-N 301.350 -0.079 30 20 DBED Cn1nnnc1CN1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]c(C#N)c1 1032361296 JFCRQTPAGDDSSX-RYUDHWBXSA-N 312.337 -0.491 30 20 DBED C=CCN1C[C@@H]2C[C@H]1CN2C(=O)Cn1ccc(=O)n(C)c1=O 1032433180 LAKGXYMXZAKNFB-RYUDHWBXSA-N 304.350 -0.982 30 20 DBED C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)CC[C@@H]1NC(=O)NC1=O 1032770000 FGHHYRXGGGKVIJ-SRVKXCTJSA-N 306.366 -0.164 30 20 DBED C#CCN1CCO[C@H](CNC(=O)[C@@H]2CCc3nncn3CC2)C1 1035445186 ACQLZCJMABRGHA-ZIAGYGMSSA-N 317.393 -0.319 30 20 DBED CC#CCN1CCO[C@@H](CNC(=O)[C@@H]2CCCCN2C(N)=O)C1 1035570479 AJZUKACVSIYCJI-KBPBESRZSA-N 322.409 -0.240 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)c2ccc(=O)n(CCC)n2)C1 1035601873 DEISNDDSRIAPIZ-ZDUSSCGKSA-N 318.377 -0.283 30 20 DBED N#CCN1CC[C@@H]1CNC(=O)c1cccc(OCC(N)=O)c1 1038326765 IGVXPZCOXINIIF-GFCCVEGCSA-N 302.334 -0.122 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCN1CCS(C)(=O)=O 1038714135 KAZSUXQXSUIELO-XQQFMLRXSA-N 316.423 -0.187 30 20 DBED CC#CCN1CC[C@@H]1CNC(=O)[C@@H]1CCc2nnnn2CC1 1038718777 FYGAHNCJAVAIGS-CHWSQXEVSA-N 302.382 -0.161 30 20 DBED C=CCN1[C@H]2CCC[C@H]1CN(C(=O)C[C@@H]1NC(=O)NC1=O)C2 1039647025 MCYVNRIURZKZDL-SRVKXCTJSA-N 306.366 -0.164 30 20 DBED N#CCN1CCC2(CC1)CCN(C(=O)c1nnc(O)nc1O)C2 1040760005 FTKUALDCZGMRMK-UHFFFAOYSA-N 318.337 -0.266 30 20 DBED C=CCCC1(C(=O)NC[C@@]2(O)CCN(C(=O)CC(N)=O)C2)CC1 1040807273 PEZHPCRIWUWQGG-INIZCTEOSA-N 323.393 -0.312 30 20 DBED C=CCCO[C@H](C)C(=O)N1CC(O)(CNC(=O)CCOC)C1 1041051271 UZMMSEOVTCQBGU-GFCCVEGCSA-N 314.382 -0.306 30 20 DBED Cc1cc(N2C[C@@H](O)[C@H](NC(=O)c3cnon3)C2)c(C#N)cn1 1041134872 LLNRACSZHVLIOV-DGCLKSJQSA-N 314.305 -0.376 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)[C@@]34COC[C@@H]3C4)C2)nc1 1041400901 JRUMZRDSKDIXPZ-VLXAULBPSA-N 314.345 -0.345 30 20 DBED C=CCOCCCC(=O)N1CC(O)(CNC(=O)c2cn[nH]c2)C1 1041657760 RLCXPKIIEIOYRC-UHFFFAOYSA-N 322.365 -0.304 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)COCCC)C1 1041861189 CTUHNBDXXKXJES-UHFFFAOYSA-N 312.366 -0.858 30 20 DBED C=CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)[C@@H](CC)OC)C1 1041913447 KNNKSLVKUNXFPD-VXGBXAGGSA-N 314.382 -0.308 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)[C@H]2C[C@@H]2C(=O)OC)C1 1041952333 PYKGVUZYKCDYNN-QWRGUYRKSA-N 310.350 -0.549 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)c2ncoc2CC)C1 1042227315 VMUKWSKNAMVYMN-UHFFFAOYSA-N 323.349 -0.257 30 20 DBED C[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1NC(=O)c1nnn(C)n1 1042422880 OLPTXGYCYUCZQN-PSASIEDQSA-N 313.325 -0.874 30 20 DBED Cc1cc(C(=O)NCC2(O)CN(C(=O)C#CC3CC3)C2)ncn1 1042589030 NYXXGFHLPXRNAX-UHFFFAOYSA-N 314.345 -0.498 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)[C@@]23COC[C@@H]2C3)C1 1042943839 YTJSKOMJGWPTMQ-LRDDRELGSA-N 306.362 -0.628 30 20 DBED CO[C@@H]1CCC[C@@H]1C(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1043628297 VXBYYZACGDOVGD-UONOGXRCSA-N 320.389 -0.096 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)Cc2ccc(O)nc2)C1 1043923535 VLCVGSUYQVTGGS-UHFFFAOYSA-N 319.361 -0.015 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)c2cccn(C)c2=O)C1 1044217871 RTYDOYQWHOQEIE-UHFFFAOYSA-N 319.361 -0.345 30 20 DBED N#CCN1CC[C@@H](N2CCN(C(=O)[C@@H]3CCCNC3=O)CC2)C1 1046037723 WWTATDZSZPQOQR-ZIAGYGMSSA-N 319.409 -0.745 30 20 DBED CC[C@H](C(=O)NCC1(O)CN(C(=O)[C@H](C)C#N)C1)N(CC)CC 1046376271 NOMGSLLURHSXCD-CHWSQXEVSA-N 324.425 -0.044 30 20 DBED CN(C(=O)c1ccnc2c1CC(=O)N2)[C@H]1CN(CC#N)C[C@@H]1O 1047442228 UXPBSIXZNJDTTR-RYUDHWBXSA-N 315.333 -0.783 30 20 DBED CN(C(=O)C(N)=O)[C@H]1CN(Cc2cccc(C#N)c2)C[C@@H]1O 1047506891 JNYPWPAKVVXTSX-STQMWFEESA-N 302.334 -0.953 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C(N)=O)nc2)C1 1047647595 ZBHUQXFVAPSPNI-STQMWFEESA-N 304.350 -0.516 30 20 DBED C=CCCC(=O)N(C)[C@H]1CN(C(=O)c2cn(C)nn2)C[C@@H]1O 1048523581 PEEZRKRBDVIZKK-RYUDHWBXSA-N 307.354 -0.575 30 20 DBED N#CCN1C[C@H]2CN(C(=O)Cc3nc4ncccn4n3)C[C@H]2C1 1049214219 CKLTYNVLZVSXMJ-TXEJJXNPSA-N 311.349 -0.419 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cc2ncc[nH]2)C1 1049315989 FFBPTGIBGUUIOB-STQMWFEESA-N 318.377 -0.214 30 20 DBED C=CCOCC(=O)N1CC[C@@H]([C@@H](C)NC(=O)Cn2nccn2)C1 1050297620 NXNJQJCOGDRZMA-CHWSQXEVSA-N 321.381 -0.166 30 20 DBED C=CCOCC(=O)N1CC[C@@H]([C@H](C)NC(=O)c2ncn(C)n2)C1 1050298744 XVEYGIKSXNVKNG-NWDGAFQWSA-N 321.381 -0.016 30 20 DBED CC(C)(C)n1nnc(C(=O)NC[C@H]2COCCN2CC#N)n1 1050926691 DONKSLSZJCQABE-JTQLQIEISA-N 307.358 -0.618 30 20 DBED N#CCN1CCOC[C@H]1CNC(=O)[C@@H]1CCn2cncc2C1 1050980313 QTPJRZUCPWTHJN-TZMCWYRMSA-N 303.366 -0.214 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC2(CN(Cc3nc(O)n[nH]3)C2)C1 1053192183 XMIORJZIKJQXKE-VIFPVBQESA-N 306.326 -0.917 30 20 DBED C=CCOCCCC(=O)NC[C@H]1CN(C(=O)C(N)=O)C[C@H]1C 1053315725 BOJKSXOFIRFCSE-NEPJUHHUSA-N 311.382 -0.335 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)c1cccc(=O)n1C)CCO2 1053421071 CRUJMWYBRSMLEF-UHFFFAOYSA-N 315.373 -0.065 30 20 DBED C#CCN[C@@H]1CN(C(=O)CCc2nnc(O)nc2O)C[C@@H]1C 1054847234 DXPYJMPMLFVYLN-GXSJLCMTSA-N 305.338 -0.715 30 20 DBED N#Cc1cnc(N2CCN(C(=O)CCc3nc[nH]n3)CC2)cn1 1055764176 ZAROSQRYQBFELT-UHFFFAOYSA-N 312.337 -0.252 30 20 DBED N#Cc1cnc(N2CCN(C(=O)Cn3ncnn3)CC2)c(F)c1 1055912401 IJXSKVRQVSNARD-UHFFFAOYSA-N 316.300 -0.572 30 20 DBED N#Cc1nccnc1N1C[C@H]2[C@H](NC(=O)c3ccc(O)nn3)[C@H]2C1 1056111014 BQCNBCNTFGQMEA-WOFXILAISA-N 323.316 -0.292 30 20 DBED N#Cc1ccc(N2C[C@@H]3C(NC(=O)Cc4cnc[nH]4)[C@H]3C2)nn1 1056427904 AIVVTDPRUWEILR-RYUDHWBXSA-N 309.333 -0.135 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)c1nccnc1N 1057233825 CZHAOEBSWKQLOD-UHFFFAOYSA-N 307.354 -0.424 30 20 DBED C#CCNC(=O)CC(=O)NCCN(CCO)C(=O)C1CC=CC1 1057253569 XICQBRGYCODKHU-UHFFFAOYSA-N 321.377 -0.971 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)CC[C@@H]1CCOC1 1057313529 XJNSNQNBNRALRU-CHWSQXEVSA-N 311.382 -0.100 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)c1ccnnc1 1057446353 AQFOTWQMACKJLD-UHFFFAOYSA-N 304.350 -0.169 30 20 DBED Cn1nnc(C(=O)N2CCC[C@H](N=c3cc[nH]c(C#N)n3)C2)n1 1057737822 JJOJAULLPOPFLE-VIFPVBQESA-N 313.325 -0.990 30 20 DBED Cc1noc(CCC(=O)N(CCO)CCNC(=O)[C@H](C)C#N)n1 1058267730 IOUKZORRYYJCEW-SNVBAGLBSA-N 323.353 -0.593 30 20 DBED N#Cc1cnc(N2CC[C@@H](NC(=O)C[C@@H]3CCC(=O)N3)C2)cn1 1058396565 PJXLOJYAAMYYBL-WDEREUQCSA-N 314.349 -0.288 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)[C@@]1(F)CCOC1 1058492744 DFNJFVLCVNKJSD-OAHLLOKOSA-N 314.357 -0.289 30 20 DBED C[C@@]1(C(=O)N(CCO)CCNC(=O)C#CC2CC2)CCOC1 1058555292 ANSXNCIRVGUEGF-MRXNPFEDSA-N 308.378 -0.237 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)C[C@H]1CCCOC1 1058658722 KBTIKORVAPMDCM-CHWSQXEVSA-N 311.382 -0.100 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)CCc1cncnc1 1058661358 UOUKZPALGNNPDU-GFCCVEGCSA-N 319.365 -0.494 30 20 DBED C=CCCOCC(=O)N1CCOC[C@@H]1CNC(=O)CCOC 1061168533 JPGQTRJJSXTBHS-ZDUSSCGKSA-N 314.382 -0.041 30 20 DBED N#Cc1ccc(N2CCC[C@@H]2CNC(=O)[C@H]2C[C@H]2C(N)=O)nn1 1061445570 USKLYPQBYWGZHG-UTUOFQBUSA-N 314.349 -0.445 30 20 DBED C=CCCC(=O)NC1(CNC(=O)Cn2ncn(C)c2=O)CCC1 1063531693 DVEIKSMYHWTCKP-UHFFFAOYSA-N 321.381 -0.297 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CCC1 1064539437 GYPRZVYUHXBAPB-OUAUKWLOSA-N 322.365 -0.666 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2cc[nH]n2)CCO1 1064887636 MARZMMZHXWVIBH-NSHDSACASA-N 308.338 -0.431 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCO[C@@H](CNC(=O)c2ncc[nH]2)C1 1065096873 LPHSHZKFJKIGOW-XHDPSFHLSA-N 322.365 -0.306 30 20 DBED N#Cc1ccc(N2CC[C@H]3[C@H]2CCCN3C(=O)CC(N)=O)nn1 1066127654 NKRNBSZGKOBIRS-NEPJUHHUSA-N 314.349 -0.207 30 20 DBED N#Cc1nccc(N2CCOC[C@@H]2CNC(=O)c2nc[nH]n2)n1 1066496183 YFHJEEGIQZIBCO-VIFPVBQESA-N 314.309 -0.898 30 20 DBED Cn1ncc(C(=O)NCC2[C@H]3CN(c4ccc(C#N)nn4)C[C@H]23)n1 1068177477 FXYIMVWIMFHSMK-VXGBXAGGSA-N 324.348 -0.411 30 20 DBED C[C@@H](Nc1ccc(C#N)nc1)[C@H]1CN(C(=O)C(N)=O)CCO1 1068244534 XVLVFOQHFLQLOA-BXKDBHETSA-N 303.322 -0.534 30 20 DBED C=CCCC(=O)N[C@@H]1COC2(C1)CN(C(=O)C(C)(C)C(N)=O)C2 1068756371 BKXZUXLQVZIBNL-NSHDSACASA-N 323.393 -0.050 30 20 DBED C=CCC(C)(C)C(=O)N[C@@H]1COC2(C1)CN(C(=O)CC(N)=O)C2 1068869153 FFVCVSUEXRRUBI-NSHDSACASA-N 323.393 -0.050 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)[C@H]2CCN(C)C2)CCOCC1 1070122325 SMYGTXJERLQKNO-OLZOCXBDSA-N 322.409 -0.121 30 20 DBED Cc1nonc1CC(=O)N1C[C@H](n2ccnn2)[C@H](NCC#N)C1 1070307079 PNQKBYVGEIJBBM-NEPJUHHUSA-N 316.325 -0.923 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CCCN(C(=O)CNC(N)=O)C1 1070405585 VHWHNBJLUAVBFI-YGRLFVJLSA-N 312.370 -0.911 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)[C@]4(C)CCNC4=O)C[C@@]3(C1)O2 1070853517 GSMOGIQMSYUQIX-BQGCOEIASA-N 317.389 -0.553 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)c2n[nH]cc2F)CC1 1070997509 NOPDQQNBDSYRHZ-UHFFFAOYSA-N 309.345 -0.001 30 20 DBED N#CCN[C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2COCCO2)CC1 1071039722 OFYSZJUHLVZLFW-ILXRZTDVSA-N 323.393 -0.089 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CCCN(C(=O)Cn2cncn2)C1 1071374679 DFIYWIFPZXGBGB-CYBMUJFWSA-N 301.350 -0.201 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1NC(=O)CCNC(N)=O 1072038465 FKJKOTJXVBUCGV-PWSUYJOCSA-N 306.366 -0.579 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)c2cc(=O)c(OC)c[nH]2)C1 1073697187 AQOUTUOHYAEBQT-LBPRGKRZSA-N 319.361 -0.163 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)[C@@H]2CN(C(C)C)CCO2)C1 1073739982 AQOMDQAUGQINDK-CVEARBPZSA-N 323.437 -0.064 30 20 DBED CC#CCN1CCO[C@@H]2CCN(C(=O)Cn3nccn3)C[C@@H]21 1074255237 BAYSISYCESLSTG-UONOGXRCSA-N 303.366 -0.397 30 20 DBED N#CCN1CCO[C@H]2CCN(C(=O)c3cc(C(N)=O)co3)C[C@@H]21 1074338969 PJPYEOMGJOCQAI-RYUDHWBXSA-N 318.333 -0.183 30 20 DBED CC(=O)NCC(=O)N1C[C@H]2CCN(C(=O)[C@H](C)C#N)CC[C@H]2C1 1074362089 WNLLIRSOXIYTGF-BNOWGMLFSA-N 320.393 -0.021 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCN(C(=O)C(F)F)[C@@H](C)C1 1074942368 WKLKUOHODJQCPZ-VHSXEESVSA-N 315.320 -0.113 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H](C)CCNC(=O)Cn1ncnn1 1076652714 IITLTPMNDDALOW-QWRGUYRKSA-N 310.358 -0.725 30 20 DBED C#Cc1ccccc1CC(=O)NCC[C@H](C)NC(=O)C(N)=O 1077677722 YNVUQEOGMUMMEK-NSHDSACASA-N 301.346 -0.293 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCS(=O)(=O)C2)C1 1077766751 TXTBQXDIHYNRMC-JHJVBQTASA-N 316.423 -0.451 30 20 DBED C[C@@H](CCNC(=O)[C@@H](C)C#N)NC(=O)c1ccn2nnnc2c1 1078134624 DSLVPLVIUBRQAX-UWVGGRQHSA-N 315.337 -0.091 30 20 DBED N#CCN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)CN1C(=O)CNC1=O)C2 1079102214 JHJDWDBWRCUCKY-GMTAPVOTSA-N 305.338 -0.969 30 20 DBED C#CCCCC(=O)N1CC(N(CC)C(=O)CCn2cnnn2)C1 1080344090 KEWIUNCDAFHUJU-UHFFFAOYSA-N 318.381 -0.074 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC(CO)(NC(=O)C2CC2)CC1 1080662348 JHIDKCVDNRISFC-GFCCVEGCSA-N 308.378 -0.096 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cc[n+]([O-])cc2)C1 1081215000 MZGFGFPWHCQDPI-UONOGXRCSA-N 319.361 -0.165 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@@H]1O 1081336441 YJGQYJVGKCTXQD-PWSUYJOCSA-N 307.354 -0.670 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)C2=COCCO2)C[C@H]1O 1081441294 GPFCMVVRSAOVOJ-CHWSQXEVSA-N 322.361 -0.386 30 20 DBED C#CCCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cncn2C)C1 1081582814 MNMAKNDCEWAAFJ-GXTWGEPZSA-N 318.377 -0.227 30 20 DBED CC#CCN1C[C@@H](NC(=O)[C@@H]2CC(=O)N(CC)C2)[C@H](OC)C1 1081761483 CIDUYCWUGWOPSN-MGPQQGTHSA-N 307.394 -0.307 30 20 DBED CCN(C)CCC(=O)NC[C@H]1CN(C(=O)C#CC(C)C)C[C@H]1O 1081773706 FHAVNODHUDMXHI-LSDHHAIUSA-N 323.437 -0.077 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)Cn1cc(C2CC2)nn1 1083104453 CXRZQHCQVMLGDB-LSDHHAIUSA-N 315.377 -0.300 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CCCCC(=O)N1 1083188700 IDEZCVORCBWQRX-HZSPNIEDSA-N 305.378 -0.410 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2scc3c2OCCO3)C1 1083913338 RQUJBIWVXGVOGF-BDAKNGLRSA-N 309.347 -0.182 30 20 DBED C=CCCN1CC[C@@H]2CN(C(=O)CN3CCOCC3=O)[C@@H]2C1 1084410772 WKFZAVXHDNKLGA-ZIAGYGMSSA-N 307.394 -0.046 30 20 DBED N#CCN1CC[C@@H]2CN(C(=O)C3CC4(C3)NC(=O)NC4=O)[C@@H]2C1 1084716654 OTZXBQHMCPDRLV-GPZIFOQPSA-N 317.349 -0.969 30 20 DBED C=CCN1CC[C@@H]2CN(C(=O)[C@@H]3CCS(=O)(=O)N3)C[C@@H]2C1 1088205037 ZHUBWRUKBADRTI-AGIUHOORSA-N 313.423 -0.356 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2cccn3nnnc23)[C@@H](O)C1 1090295537 ONPMIFKMWFTDID-STQMWFEESA-N 314.349 -0.687 30 20 DBED C=CCCN1CC[C@@H](NC(=O)Cc2cn(CC)nn2)[C@H](O)C1 1090442227 RDYXBUBANMKPBE-ZIAGYGMSSA-N 307.398 -0.032 30 20 DBED C#CCN1CC[C@H](NC(=O)c2c(C)nn(C)c2OC)[C@@H](O)C1 1090617917 YLILJRQYTORYMH-RYUDHWBXSA-N 306.366 -0.465 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2ccc(=O)n(CC)n2)[C@@H](O)C1 1090655751 VLIJNTLSKBOZGQ-OCCSQVGLSA-N 318.377 -0.549 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2CCN(CCOC)C[C@H]2O)cn1 1090739964 QGDYSEUFUONSGS-LSDHHAIUSA-N 303.362 -0.126 30 20 DBED Cn1nc(C2CC2)nc1CC(=O)N[C@H]1CCN(CC#N)C[C@@H]1O 1090825327 XXUUIMBEDVKJIN-RYUDHWBXSA-N 318.381 -0.690 30 20 DBED CCCOCC(=O)N[C@@H]1CCN(c2ccnc(C#N)n2)C[C@@H]1O 1092143351 SFAYTVICSPRNCO-NEPJUHHUSA-N 319.365 -0.169 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(c2ccnc(C#N)n2)C[C@H]1O 1092154181 SCCLNDRHALJJQA-NWDGAFQWSA-N 317.349 -0.393 30 20 DBED CN(C)CCC(=O)N[C@@H]1CCN(c2ccc(C#N)nn2)C[C@@H]1O 1092172271 CWEVJGSNXGVEOV-OLZOCXBDSA-N 318.381 -0.644 30 20 DBED N#Cc1cnc(NCCNC(=O)CN2CCNC(=O)C2)c(F)c1 1094057434 UIXZTYOJODRRMZ-UHFFFAOYSA-N 320.328 -0.948 30 20 DBED C#CCCN1CC(n2cc(CNC(=O)c3nonc3C)nn2)C1 1094342050 DXQQXXDOOPWHCV-UHFFFAOYSA-N 315.337 -0.220 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)c3ncccc3O)CC2=O)C1 1094732178 ZIPFTSAHLUNSOH-NSHDSACASA-N 316.361 -0.012 30 20 DBED Cn1cc(C(=O)N2C[C@H]3C[C@@H](NCC#N)C[C@H]2C3)ncc1=O 1094965885 OUQKZTLJYKRYNU-QJPTWQEYSA-N 301.350 -0.113 30 20 DBED CN(CCCNC(=O)[C@H]1COC(=O)N1)c1cncc(C#N)n1 1095547242 SDWDIEBFKNIBQR-SNVBAGLBSA-N 304.310 -0.601 30 20 DBED Cn1nnc(C(=O)NC[C@@H](Nc2cncc(C#N)n2)C2CC2)n1 1096787289 AEALUHYJKNDINF-SNVBAGLBSA-N 313.325 -0.508 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(Cc2cnns2)C[C@@H]1O 1099737736 CXZFLMQFKZTKKX-RYUDHWBXSA-N 312.395 -0.208 30 20 DBED C=CC(C)(C)C(=O)N[C@H]1CCN(CC(=O)NCC#N)C[C@@H]1O 1099944284 LLANAYKDXXMUCN-RYUDHWBXSA-N 308.382 -0.610 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1CCN(Cc2nc(=O)n(C)[nH]2)C[C@@H]1O 1099944311 LTWAQAWNBMTFNB-MNOVXSKESA-N 323.397 -0.628 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2[nH]cnc2C)[C@H](O)C1 1100145340 JNTJVYSHMWBRDF-QWHCGFSZSA-N 306.366 -0.467 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)CCc2ncc[nH]2)C1 1100293104 FOIPTUTUYLJHLO-UHFFFAOYSA-N 317.393 -0.424 30 20 DBED CCN(CCNC(=O)[C@@H]1CCN(C)C1=O)c1nccnc1C#N 1100682043 RJBGLFYVESUCJT-NSHDSACASA-N 316.365 -0.231 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CCN(c2ccc3nnnn3n2)C1 1100978797 LLOATJJKWRZGGM-LBPRGKRZSA-N 311.349 -0.125 30 20 DBED CC[C@@H](CNC(=O)[C@H]1COCCN1C)Nc1nccnc1C#N 1103036747 QTRSJKWNEJMSIE-WCQYABFASA-N 318.381 -0.014 30 20 DBED CC[C@@H](CNC(=O)C1CN(C(C)=O)C1)N=c1cc[nH]c(C#N)n1 1103071213 ZRKJSHVBYGHBPZ-LBPRGKRZSA-N 316.365 -0.445 30 20 DBED CC#CCN1C[C@@H](C)[C@H](CCNC(=O)c2nnc(O)nc2O)C1 1103190621 MBSPGOCQJUKEFX-GHMZBOCLSA-N 319.365 -0.006 30 20 DBED CC[C@H](CNC(=O)CNC(=O)NC)Nc1nc(C)cc(C#N)n1 1103352976 RMTFQDGSNUQPMY-SNVBAGLBSA-N 319.369 -0.108 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1CCNC(=O)CN1CCC(=O)NC1=O 1103619970 ZAJVZAKNGNUULM-VXGBXAGGSA-N 321.381 -0.474 30 20 DBED CN(CCN(C)c1cncc(C#N)n1)C(=O)CCNC(N)=O 1105405255 UEPJDXIKDIKJFB-UHFFFAOYSA-N 305.342 -0.699 30 20 DBED Cc1ccc(C(=O)NC[C@@H](O)CN=c2cc[nH]c(C#N)n2)n1C 1105720136 QHSFYVOXZWGLIO-NSHDSACASA-N 314.349 -0.380 30 20 DBED N#Cc1cncc(NC[C@H](O)CNC(=O)c2ccc(C#N)[nH]2)n1 1105787999 CYZRSPZGQGEWQQ-NSHDSACASA-N 311.305 -0.249 30 20 DBED Cc1nc(C(=O)NC[C@@H](O)CN=c2cc[nH]c(C#N)n2)co1 1105799168 WINLTJMEQZRTOA-VIFPVBQESA-N 302.294 -0.731 30 20 DBED C=CCCOCC(=O)NC[C@@H](O)CNc1ccc2nnnn2n1 1105890342 PHSQHVZOIRLHBZ-JTQLQIEISA-N 321.341 -0.999 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](O)CNC(=O)Cc2cnoc2)n1 1106070208 MEUTVGOCJNWGTC-LBPRGKRZSA-N 316.321 -0.224 30 20 DBED C=CCOCCNC[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1C 1106136130 SUBQHPHOLYILCY-CHWSQXEVSA-N 308.386 -0.440 30 20 DBED C=CCNC(=O)CNC[C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1C 1106182417 VAVHFIAMXVZCIQ-CHWSQXEVSA-N 320.397 -0.736 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)CN(CC)CC)C[C@H]1C 1106779954 ZMHLDGFFQQHGMX-HUUCEWRRSA-N 322.453 -0.238 30 20 DBED C=CCN1CC(n2cc(CNC(=O)CNC(=O)CC)nn2)C1 1107146080 UYOIMNAKXMZHNB-UHFFFAOYSA-N 306.370 -0.537 30 20 DBED C=CC(C)(C)C(=O)NCc1cn(C2CN([C@H](C)C(N)=O)C2)nn1 1107192270 DSIPXTGANNGYMC-SNVBAGLBSA-N 320.397 -0.163 30 20 DBED C#CCNC(=O)CN1CCO[C@](C)(CNC(=O)[C@H]2CC2(C)C)C1 1107877001 OROMTYREYLRVMZ-CXAGYDPISA-N 321.421 -0.011 30 20 DBED C=CCN1CCO[C@@](C)(CNC(=O)Cn2nc(C)n(C)c2=O)C1 1108373346 UGIDJJYYQGYVCQ-HNNXBMFYSA-N 323.397 -0.717 30 20 DBED C=CCCN1CC(N2C[C@@H](NC(=O)C3(C(N)=O)CC3)CC2=O)C1 1108567931 FNRJCXRMTPWDLC-NSHDSACASA-N 320.393 -0.771 30 20 DBED CC(=O)NCC(=O)N[C@H](C)CN(C)c1nc(C)cc(C#N)n1 1108811622 JHRVWPVDIDHWDW-SNVBAGLBSA-N 304.354 -0.266 30 20 DBED CN(C)CCOCC(=O)N(C)CCCN=c1cc[nH]c(C#N)n1 1109483703 NQWHCHQEXXAVFQ-UHFFFAOYSA-N 320.397 -0.391 30 20 DBED CNC(=O)NCC(=O)N[C@@]1(C)CCN(c2ccc(C#N)nc2)C1 1110822209 CZSRQPLXXXCZEG-HNNXBMFYSA-N 316.365 -0.033 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)c2cnc(C)cn2)CC1 1112600396 WLKJZNNTXBTQTA-CYBMUJFWSA-N 315.377 -0.319 30 20 DBED CNC(=O)CC(=O)N1CCC[C@H]1CN(C)c1cncc(C#N)n1 1112790626 LRUWMFHOYAHAPU-LBPRGKRZSA-N 316.365 -0.088 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCN(C[C@H](O)Cn2cccn2)CC1 1112841775 MFPPBKYSXIOQAZ-GJZGRUSLSA-N 320.393 -0.574 30 20 DBED COCC#CCN1CCN(C(=O)[C@H](C)N2C(=O)CCC2=O)CC1 1112919884 NWDQAPATDRBPMQ-ZDUSSCGKSA-N 321.377 -0.682 30 20 DBED CCC(=O)NCC(=O)NC[C@H](C)N(C)c1cnc(C#N)cn1 1113537066 GZIZCYRMBFJEJT-JTQLQIEISA-N 304.354 -0.185 30 20 DBED CCS(=O)(=O)NCCN1C[C@H]2[C@H](NC(=O)[C@H](C)C#N)[C@H]2C1 1114067504 SPQBZVVXGOYKMX-WYUUTHIRSA-N 314.411 -0.868 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)[C@H](C)n3cncn3)[C@@H]2C1 1114146611 DIDGTLYECKYGCU-YNEHKIRRSA-N 303.366 -0.465 30 20 DBED C[C@@H](C(=O)NC(N)=O)N1C[C@H]2[C@H](NC(=O)C#CC3CC3)[C@H]2C1 1114257813 GOOSYGDNQNREDS-MVVXRAEJSA-N 304.350 -0.970 30 20 DBED N#Cc1ccc(N2C[C@@H]3C(CNC(=O)Cn4cncn4)[C@H]3C2)nn1 1114552261 OIBGWMHPUSRQOU-CHWSQXEVSA-N 324.348 -0.562 30 20 DBED COC(=O)Cn1ncc(NC(=O)C(=O)N(C)C[C@@H](C)C#N)c1C 1116880438 HSMKOMFRQHMZHV-VIFPVBQESA-N 321.337 -0.079 30 20 DBED C#CCOCCNC(=O)C(=O)N[C@@H]1C[C@H](OCC)[C@]12CCCO2 1117394907 GBYPBWWNTLQBDQ-WWGRRREGSA-N 324.377 -0.405 30 20 DBED C[C@H](CO[C@H]1CCOC1)NC(=O)C(=O)N1CCO[C@@H](C#N)C1 1117489752 ZFMXJLBUZRRMSQ-WOPDTQHZSA-N 311.338 -0.952 30 20 DBED N#C[C@H]1CC[C@@H](NC(=O)C(=O)NCCOC[C@@H]2CCOC2)C1 1118110377 BQYBVCHAVTYEJQ-YNEHKIRRSA-N 309.366 -0.036 30 20 DBED Cc1cc(C#N)nc(N[C@H](CO)CNC(=O)c2[nH]cnc2C)n1 1121724660 SNNHZGANRNBIQC-NSHDSACASA-N 315.337 -0.109 30 20 DBED Cn1cc(C(=O)NC[C@@H](CO)Nc2ccc(C#N)cn2)nc1O 1122446051 ZDEJFPCFVCHFHC-JTQLQIEISA-N 316.321 -0.405 30 20 DBED C#Cc1cncc(C(=O)NC[C@H](CO)Nc2ccc(C#N)nn2)c1 1122508995 VRXXDEKKRVGYCX-CQSZACIVSA-N 322.328 -0.073 30 20 DBED Cc1cc(C#N)nc(N[C@H](CO)CNC(=O)[C@@]23COC[C@@H]2C3)n1 1122759464 BRRXSDBPDPPLNW-WBIUFABUSA-N 317.349 -0.418 30 20 DBED CC(=O)N(C)CC(=O)N1CC[C@H](N=c2cc[nH]c(C#N)n2)[C@H]1C 1122989463 UZKYDDJPRPSHAB-PWSUYJOCSA-N 316.365 -0.350 30 20 DBED CC(=O)NCC(=O)N[C@H]1CCCN(c2cnc(C#N)cn2)[C@H]1C 1123514324 PYUXZULQOSWDIJ-GWCFXTLKSA-N 316.365 -0.042 30 20 DBED CN(C[C@H](O)CNc1ccc(C#N)nc1)C(=O)[C@@H]1COC(=O)N1 1124270844 FMAJVEQXZQQOLF-NEPJUHHUSA-N 319.321 -0.707 30 20 DBED COCCN(CCNC(=O)c1cn[nH]c1)c1ccc(C#N)nn1 1126226604 BQOODPNHQCMUGW-UHFFFAOYSA-N 315.337 -0.046 30 20 DBED C=C(C)CN(CC)C(=O)CNCCNC(=O)c1ncn(C)n1 1126678386 YASKODHGHKGDJH-UHFFFAOYSA-N 308.386 -0.441 30 20 DBED CN(CCOCCN=c1cc[nH]c(C#N)n1)C(=O)c1cnco1 1127422440 VXRDOKFHHNWPPM-UHFFFAOYSA-N 316.321 -0.041 30 20 DBED Cc1cnc(CCCC(=O)NCCNCC(=O)NCC#N)o1 1129098495 GEKCRWXJGOSCNY-UHFFFAOYSA-N 307.354 -0.349 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1cc2c([nH]1)CCOC2 1129244147 PNMRRLKWDDRTOC-LLVKDONJSA-N 318.377 -0.455 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCNCCNC(=O)C1CC1 1129770463 GLZXTHSHPXEZIO-AWEZNQCLSA-N 306.410 -0.684 30 20 DBED C=CCCN[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@@H]1n1ccnn1 1129986855 PWXBLUZHNJLONW-NEPJUHHUSA-N 318.381 -0.539 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cc(C(F)(F)F)no1 1130003378 CRCMOVWMBYGAAK-UHFFFAOYSA-N 318.255 -0.238 30 20 DBED COCCN1CCOC[C@H]1c1n[nH]c(CNC(=O)[C@H](C)C#N)n1 1130835013 IPHBRIVMBTYESH-MNOVXSKESA-N 322.369 -0.400 30 20 DBED CNC(=O)CCCC(=O)N1C[C@@H]2C[C@@H]3CN(CC#N)C[C@]2(C1)O3 1131221056 XOBZEKRHEFVSML-WOSRLPQWSA-N 320.393 -0.272 30 20 DBED COC[C@H](C)C(=O)N1CCC[C@@H](N2CCN(CC#N)CC2=O)C1 1131710547 WWMPYGJYYJOUMT-UONOGXRCSA-N 322.409 -0.072 30 20 DBED C#CCNC[C@H]1CN(C(=O)c2nnc(O)nc2O)CC[C@@H]1C 1132955516 SIVVOUPASRGKCP-UWVGGRQHSA-N 305.338 -0.396 30 20 DBED Cc1cncn1CC(=O)N[C@@H](C)C[C@H](C)NCC(=O)NCC#N 1135029641 PUSJHBZIGAXRBQ-RYUDHWBXSA-N 320.397 -0.296 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)c1[nH]nnc1C 1135161037 IYUDHKJPFJPOOY-ZJUUUORDSA-N 306.370 -0.651 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)C(=O)NCC1CC1 1135784479 HTGCAHUUFLUTJO-VXGBXAGGSA-N 322.409 -0.865 30 20 DBED C#Cc1ccc(C(=O)NCCNCCOCCNC(C)=O)cn1 1148383173 WEFUQDYYDKPACK-UHFFFAOYSA-N 318.377 -0.465 30 20 DBED C#CCN1CCC2(C1)CN(C(=O)CNC(=O)C1CCOCC1)C2 1148458412 PYGDSHJJFPGXEW-UHFFFAOYSA-N 319.405 -0.303 30 20 DBED C=CCCO[C@@H](C)C(=O)NC[C@@H]1CN(CC(N)=O)CCCO1 1149356752 SYRGCAZZPARLQW-QWHCGFSZSA-N 313.398 -0.340 30 20 DBED CC(C)C(=O)N(C)CC(=O)NC[C@H]1CN(CC#N)CCCO1 1149803797 CWRTXXUWGLSUBC-ZDUSSCGKSA-N 310.398 -0.169 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)c1cnn(C)c1N 1152949164 YIAVHDWTWACCQY-LLVKDONJSA-N 320.397 -0.808 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)C[C@](C)(O)C1CC1 1156777011 IINJAJDORXJMAJ-LRDDRELGSA-N 309.410 -0.229 30 20 DBED C#CCNC(=O)CC(=O)NCCCN[C@H](C)C(=O)N(CC)CC 1156857280 KYJRUFVWABDPJR-CYBMUJFWSA-N 324.425 -0.521 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)c1cnnn1CC 1157565954 MWRUMNJTBXBJES-NSHDSACASA-N 308.386 -0.302 30 20 DBED CCS(=O)(=O)NCCNCCCNC(=O)C#CC1CC1 1157682487 IYQZCYWRDNZCAT-UHFFFAOYSA-N 301.412 -0.565 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@@H]1C[C@H]1C1CCOCC1 1162379470 YRPNTRLMDKTFCS-LSDHHAIUSA-N 321.421 -0.106 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)c1cc(OCC)no1 1162674151 HXEPAIFEYWHTAN-NSHDSACASA-N 322.365 -0.079 30 20 DBED CCOc1cc(C(=O)NCCCNCC(=O)NCC#N)ccn1 1166319590 OZPCLDQRRBAXRG-UHFFFAOYSA-N 319.365 -0.170 30 20 DBED CCS(=O)(=O)NCC(=O)N[C@@H](C)CCCCNCC#N 1171068823 KXTRSPCYVQLERU-NSHDSACASA-N 304.416 -0.286 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)[C@@H]1CCCC(=O)N1C 1174936114 WPELYEPOVPNKJK-OLZOCXBDSA-N 322.409 -0.769 30 20 DBED C#CCCCCC(=O)N1CC[C@@H](N[C@@H](C)C(=O)NC(N)=O)C1 1182113382 WRQZECZMJRUNBJ-NWDGAFQWSA-N 308.382 -0.046 30 20 DBED C[C@H](OCC1CC1)C(=O)N1CC[C@H](N(C)CC(=O)NCC#N)C1 1189231937 NQAFRWRZKGCHKV-JSGCOSHPSA-N 322.409 -0.026 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@H]1CCN(C(=O)c2cnnn2C)C1 1189935010 TWHDGPFWZNIMNP-NEPJUHHUSA-N 318.381 -0.901 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)c2cnc(C)s2)C1 1191514234 AUHRCUAEXCRDPH-VXGBXAGGSA-N 309.391 -0.124 30 20 DBED CN(CC#N)[C@@H]1CCN(C(=O)CNC(=O)c2cccnc2)C1 1192471501 DOKMZIKODGTGEO-CYBMUJFWSA-N 301.350 -0.132 30 20 DBED Cc1ccnc(CN2C[C@@H](O)[C@H](NC(=O)C#CC3CC3)C2)n1 1192769910 DFGZENGIZVBQCH-ZIAGYGMSSA-N 300.362 -0.140 30 20 DBED C=CCN(C)[C@@H]1CCN(C(=O)[C@H](CCC(N)=O)NC(C)=O)C1 1192887564 FHAIDQRDLPXPIV-OLZOCXBDSA-N 310.398 -0.525 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)COCc2ccnn2C)C1 1194038954 KUZNFVSPZDUHTQ-ZIAGYGMSSA-N 308.382 -0.326 30 20 DBED C=CCCCN1C[C@@H](O)[C@H](NC(=O)c2nnc(O)nc2O)C1 1194431242 WVRLWZUVRBLAEI-RKDXNWHRSA-N 309.326 -0.976 30 20 DBED C=CCN(CC=C)C(=O)CN1CCCN(C(=O)C(N)=O)CC1 1196977278 LEMVZVFMCGTQNK-UHFFFAOYSA-N 308.382 -0.793 30 20 DBED COCC#CCN1CCCN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)CC1 1197166498 SKAHGYXHUUINSD-CABCVRRESA-N 321.421 -0.105 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)CS(=O)(=O)C(C)C)C1 1198736612 YWIFPGUNOZYOAC-VXGBXAGGSA-N 304.412 -0.453 30 20 DBED C[C@H](C#N)C(=O)N1CCCO[C@@H](CNCCn2cncn2)C1 1200115464 MKLJPRPQENRVJK-OLZOCXBDSA-N 306.370 -0.355 30 20 DBED CC#CCNC1CCN(C(=O)CS(=O)(=O)CCOC)CC1 1201293593 LEIPHECONMOGMP-UHFFFAOYSA-N 316.423 -0.349 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CCN(C(=O)Cc2ncc[nH]2)CC1 1203058252 GRFAOVCKJPUSMF-GFCCVEGCSA-N 317.393 -0.329 30 20 DBED CC#CCN[C@@H]1C[C@@H](NC(=O)Cn2c(O)nnc2O)C12CCC2 1203662280 ZKTRNOUIZSFJJL-GHMZBOCLSA-N 319.365 -0.270 30 20 DBED COCC#CCNC1CCN(C(=O)C[C@@H]2CC(=O)NC2=O)CC1 1204157710 XXTIYCWUVJZTCJ-LBPRGKRZSA-N 321.377 -0.730 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(CCOC(C)C)C[C@H]1C 1206893159 ZRAPFAYYKRSJNG-ZIAGYGMSSA-N 309.410 -0.013 30 20 DBED C#CCCNCC1CCN(C(=O)CN2C(=O)CNC2=O)CC1 1206917766 XJEHCNAGFRSUJS-UHFFFAOYSA-N 306.366 -0.610 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)c2cnnc(C)c2)C1 1207893658 USZIQCWXPGTDSA-CQSZACIVSA-N 315.377 -0.271 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)[C@H](COC)OC)[C@H](C)C1 1208542049 WKCRDSBQTABYSW-UPJWGTAASA-N 313.398 -0.614 30 20 DBED C#CCN1C[C@@H](NC(=O)CS(=O)(=O)CCCC)[C@H](OC)C1 1213936574 VWBKATCNDGIQHA-CHWSQXEVSA-N 316.423 -0.350 30 20 DBED C[C@@H]1CN(C(=O)C2CCC(O)CC2)C[C@H]1NCC(=O)NCC#N 1214531081 NFIDTFZQUASLTD-BLYZHGLHSA-N 322.409 -0.386 30 20 DBED Cc1ccc(C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@@H]2O)o1 1219136102 PCRQICWIZNPJSB-MNOVXSKESA-N 306.322 -0.997 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2ccoc2C)C1 1219156140 YOMFXJKSBKYVMO-OLZOCXBDSA-N 307.350 -0.335 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CN(CC(=O)NCCC(C)(C)C)C[C@@H]1O 1219378708 CPRSSCVEOSGRNL-UPJWGTAASA-N 324.425 -0.140 30 20 DBED C[C@H](C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@@H]1O)C1CCC1 1219862444 LCGNHBQPDGKUGG-UHTWSYAYSA-N 308.382 -0.776 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)CCc2c(C)nn(C)c2C)C1 1220095645 CBXLVXCKGIMYIW-CABCVRRESA-N 304.394 -0.236 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)[C@@H]2C[C@@H]3C[C@@H]3C2)C1 1220199540 RJTPNCAWNOSEJW-TVDPOAAXSA-N 321.421 -0.116 30 20 DBED C=CCNC(=O)[C@H](C)N1CCC(NC(=O)[C@H]2COC(=O)N2)CC1 1227131816 PETQSFMVIVBQEW-CMPLNLGQSA-N 324.381 -0.634 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)[C@@]2(C)CCNC2=O)CC1 1229178085 GIPPWQQIPFIUCC-INIZCTEOSA-N 322.409 -0.605 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)c1ccc(O)nn1 1230659629 XLSCTFCNBTURNK-LLVKDONJSA-N 317.349 -0.922 30 20 DBED C=CCN1CC[C@@H](N(C)CCCNC(=O)CNC(C)=O)C1=O 1231278617 MEIGSAIHRRCEJS-CYBMUJFWSA-N 310.398 -0.653 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)Nc1cc(C)n(CC(=O)NC)n1 1320304236 WBQWGOKHZKLALL-SNVBAGLBSA-N 323.353 -0.807 30 20 DBED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1cncnc1N(C)C 1322602047 PKLOUKKHZSZYJP-SNVBAGLBSA-N 305.338 -0.628 30 20 DBED N#C[C@@]1(F)CCN(C(=O)C(=O)NCCOC[C@@H]2CCOC2)C1 1322813312 YRGHSYWJSIDIIZ-RISCZKNCSA-N 313.329 -0.380 30 20 DBED C=CC[C@H](CC)NC(=O)C(=O)N1CCC(OCC(N)=O)CC1 1322878891 GXVXPNFHFSYMNG-NSHDSACASA-N 311.382 -0.050 30 20 DBED COc1ccc(CNC(=O)C(=O)N2CCO[C@@H](C#N)C2)cn1 1322971005 LRWZJDYOLXXLDW-NSHDSACASA-N 304.306 -0.543 30 20 DBED C#CCSCCNC(=O)C(=O)N1CCC[C@@H](C(=O)NC)C1 1324963882 QXKTYEJJGBAPHJ-LLVKDONJSA-N 311.407 -0.546 30 20 DBED N#CCN1CCC(NC(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)CC1 1326700475 BUSBPXRUSSNGFT-WCQYABFASA-N 303.366 -0.101 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCCCC(=O)NC 1327702792 UOGUPXAEOVBQQV-YPMHNXCESA-N 311.382 -0.274 30 20 DBED CN1CCC[C@H](NC(=O)C(=O)N2CCC[C@H](CC#N)C2)C1=O 1331046912 FTFZUJCONMKMDC-NEPJUHHUSA-N 306.366 -0.124 30 20 DBED CC(C)[C@H](NC=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1331384352 NLXVBTKWVJKIQD-DLGQCPFBSA-N 308.338 -0.600 30 20 DBED CC(C)(O)C1CN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1 1332057252 TUQCPVJHGQSWKC-CYBMUJFWSA-N 320.393 -0.586 30 20 DBED O=C(NCC#CCO)N1CCC(N2CCCS2(=O)=O)CC1 1332368422 NVPOKZJWXCMWQO-UHFFFAOYSA-N 315.395 -0.808 30 20 DBED C[C@@H](CN1CCOCC1)N(C)C(=O)C(=O)N1CCC[C@@H](C#N)C1 1336473418 MCDGNLNANMBFGR-KBPBESRZSA-N 322.409 -0.072 30 20 DBED N#CCOc1cccc(NC(=O)C(=O)NCCn2cncn2)c1 1339327249 JKGBTVCMIKWUCB-UHFFFAOYSA-N 314.305 -0.065 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)NCc1nnc2n1CCCCC2 1340245085 TVQMOKBVXBLOCO-LLVKDONJSA-N 321.381 -0.062 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C)c2nnc(C)o2)C1=O 1340752435 XUQUWDZJINJRDB-SSDOTTSWSA-N 321.293 -0.468 30 20 DBED C#CCNCC(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCCN2)C1 1341634671 SAJBWVVDZVTOAC-KBPBESRZSA-N 306.410 -0.684 30 20 DBED C#CCSCCNC(=O)C(=O)N(CC)CCS(C)(=O)=O 1342539451 HFLSETDZKUCOKJ-UHFFFAOYSA-N 320.436 -0.638 30 20 DBED CCOc1ncccc1NC(=O)C(=O)NCC(=O)NCC#N 1346616594 BKRODKYSDODMIN-UHFFFAOYSA-N 305.294 -0.825 30 20 DBED C=CC[C@H](CC)NC(=O)C(=O)N1C[C@H](O)C[C@@H](C(=O)OC)C1 1349215713 ZMEQGAYYKUWMPY-GRYCIOLGSA-N 312.366 -0.160 30 20 DBED C=C[C@@](C)(O)c1cn(CC(=O)N2CCN(C(C)=O)CC2)nn1 1352975828 GSIDPZNSGTYUIL-CQSZACIVSA-N 307.354 -0.638 30 20 DBED CS(=O)(=O)N1CC(C(=O)Nc2n[nH]c(C3CC3)c2C#N)C1 1362760697 QHMGDUFTCKFDEE-UHFFFAOYSA-N 309.351 -0.011 30 20 DBED N#Cc1cccc(CN2CCN(C(=O)Cn3cnnn3)CC2)n1 1364960760 PKIZVPAKXZIQMR-UHFFFAOYSA-N 312.337 -0.716 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1cnn(C2CCC2)c1 1399840006 YEVAXHPBWKPAIA-ZWNOBZJWSA-N 319.365 -0.025 30 20 DBED C[C@H](CNC(=O)[C@H](C)C#N)NC(=O)CNC(=O)c1ccccn1 1399991901 CREGQFIFVYPOEJ-GHMZBOCLSA-N 317.349 -0.408 30 20 DBED CCC(=O)NCC(=O)N1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 1407037805 KTIAFZNOVGLBLR-UHFFFAOYSA-N 317.349 -0.303 30 20 DBED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CC[C@H]2CO)c1 1413873025 SWKSYDYVSXZRAJ-NSHDSACASA-N 309.347 -0.570 30 20 DBED Cn1cccc(NC(=O)CCn2cc(C#N)c(O)nc2=O)c1=O 1417637723 JEBPZUIYQIVIMZ-UHFFFAOYSA-N 315.289 -0.452 30 20 DBED COc1cc(C#N)ccc1S(=O)(=O)N[C@@H]1COCC[C@H]1O 1434613859 MUXSZUJSIHSODL-GHMZBOCLSA-N 312.347 -0.005 30 20 DBED C=C(Cl)CNC[C@H](O)CNC(=O)[C@@H]1CC(=O)N(CC)C1 1445206862 QQCIDDVCFQCHQK-MNOVXSKESA-N 303.790 -0.326 30 20 DBED C[C@@H](C#N)C(=O)NC1CN([C@H]2CCN(c3cnn(C)c3)C2=O)C1 1481549639 FPYGTTBKUCTOBZ-GWCFXTLKSA-N 316.365 -0.515 30 20 DBED Cc1nnc(COCC(=O)NC2CN(C(=O)[C@H](C)C#N)C2)s1 1530564379 YXABDEITWMOQIE-MRVPVSSYSA-N 323.378 -0.150 30 20 DBED CC[C@H](NC(C)=O)C(=O)NC1CN(C(=O)c2c[nH]c(C#N)c2)C1 1530667022 RVWYSGBGXAKHMW-ZDUSSCGKSA-N 317.349 -0.258 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)CNC(=O)O 1573311743 XSZWKTBSADSMOY-SDDRHHMPSA-N 323.349 -0.506 30 20 DBED C=CCOC[C@H](NC(=O)c1ccccc1OCC(N)=O)C(=O)O 1573368181 BJELISLHYZJVFW-NSHDSACASA-N 322.317 -0.064 30 20 DBED C#CC[C@@H](NC(=O)CN(C)c1ncnc2[nH]cnc12)C(=O)O 1588405464 OKOQWRWHKOMICH-MRVPVSSYSA-N 302.294 -0.618 30 20 DBED C=CCOC[C@@H](NC(=O)c1cc2c(=O)[nH]c(C)cn2n1)C(=O)O 1588859704 UHKBDOQJOVMGHF-SNVBAGLBSA-N 320.305 -0.283 30 20 DBED CC(C)CNC(=O)NC(=O)Cn1cnc(C#N)c1-c1nn[nH]n1 1589634421 AFASOWXJGZGNSW-UHFFFAOYSA-N 317.313 -0.583 30 20 DBED CN(C)S(=O)(=O)N(CC#N)Cc1ccc(-c2nn[nH]n2)cc1 1591023814 YIKSRAGALAHLIZ-UHFFFAOYSA-N 321.366 -0.001 30 20 DBED C[C@@]1(C#N)CN(C(=O)NCCC(=O)NCCC(=O)O)CCO1 1593743350 OVJPBUGGSLKZTE-CYBMUJFWSA-N 312.326 -0.709 30 20 DBED N#Cc1cn(CC(=O)N[C@H]2CCC[C@H]2C(=O)O)c(=O)nc1O 1594633130 OTEZDKIYAJFCBY-BDAKNGLRSA-N 306.278 -0.810 30 20 DBED N#CCN(CC(=O)O)C(=O)CC1(n2cnnn2)CCOCC1 1601070292 XPBJPYMFYHUJRJ-UHFFFAOYSA-N 308.298 -0.994 30 20 DBED C#CCN1CCC[C@H](NS(=O)(=O)c2n[nH]cc2C(=O)O)C1 1602719814 FJOCQGOOJJRDCU-VIFPVBQESA-N 312.351 -0.516 30 20 DBED C=CCOC[C@@H](NC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)OC)O1)C(=O)O 1602909155 PJKYOFJZPUTDLG-GWOFURMSSA-N 315.322 -0.275 30 20 DBED N#Cc1nc(C(=O)O)ccc1N1CC[C@H](CS(N)(=O)=O)C1 1608223799 JNOUHSUUUCHVGJ-QMMMGPOBSA-N 310.335 -0.234 30 20 DBED N#C[C@@H]1CN(C(=O)c2ccc(CS(N)(=O)=O)cc2)CCO1 1645549158 JTRYGQKHDASHAR-GFCCVEGCSA-N 309.347 -0.160 30 20 DBED N#Cc1ccc([C@@H](OC(=O)[C@H]2CCS(=O)(=O)N2)C(N)=O)cc1 1649859007 DQWCOTLLXONYPO-GHMZBOCLSA-N 323.330 -0.680 30 20 DBED CC(C)[C@@H](CCNC(=O)[C@H]1CCCN1C)NCC(=O)NCC#N 1676153145 GBDHNRBTYCOAPM-ZIAGYGMSSA-N 323.441 -0.159 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)c2cc(C(N)=O)c[nH]2)C1 1713087907 RXGPQUXTSNLGRL-LLVKDONJSA-N 319.365 -0.780 30 20 DBED C#CCNC(=O)CN1CCN(CCNC(=O)CC2CC2)CC1 1752359472 AEGLZFBENMBHOS-UHFFFAOYSA-N 306.410 -0.730 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1C[C@@H](NC(=O)Cc2ccon2)C1 1752719871 KJWLANHGNZZRLF-WCFLWFBJSA-N 304.350 -0.408 30 20 DBED C#CCCNC[C@@H]1CCN(C(=O)CCN2C(=O)CCC2=O)C1 1752942699 DYWXISCZKSFYAZ-ZDUSSCGKSA-N 305.378 -0.013 30 20 DBED C=CCN1CC[C@H](N[C@H](C)CCNC(=O)c2cnn(C)n2)C1=O 1753015289 FJOIENRMLGYRMX-NEPJUHHUSA-N 320.397 -0.300 30 20 DBED C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCN(CC(=O)NCC#N)C2)CCN1C 1753435994 CHODXMBSMKYIJJ-HZSPNIEDSA-N 321.425 -0.501 30 20 DBED C=CCNC(=O)CNC[C@@H](C)CNC(=O)[C@@]1(C)CCNC1=O 1753630151 KYXCFZGZCLTOBA-ABAIWWIYSA-N 310.398 -0.843 30 20 DBED C=CCN(C)CCN(C)C(=O)CN(C)S(=O)(=O)N(C)C 1753853111 LRYIZVAADYOYKM-UHFFFAOYSA-N 306.432 -0.699 30 20 DBED CC#CCNC[C@H]1CCC[C@@H]1NC(=O)c1cn(C)c(=O)nc1O 1753900628 AANGNRAXPKVABG-YPMHNXCESA-N 318.377 -0.003 30 20 DBED C=CCC(C)(C)C(=O)NC[C@H](O)CN[C@@H](C)c1nnnn1C 1753928438 FPJRQBKYWUECAD-WDEREUQCSA-N 310.402 -0.060 30 20 DBED C#CCNC(=O)CNC[C@@H](C)NC(=O)c1cc(OC)ns1 1754225868 POPVXIYTEZBIFO-SECBINFHSA-N 310.379 -0.391 30 20 DBED C#CCNC(=O)CN1C[C@H]2C[C@H]1[C@H]2NC(=O)c1ccn(C)c1C 1754428829 YZRHUDRBYMMWDC-INWMFGNUSA-N 314.389 -0.115 30 20 DBED C#CCNC(=O)CNC[C@H](NC(=O)C[C@@H]1CCCO1)C1CC1 1754434269 QFLNAVSVVWZKOE-KBPBESRZSA-N 307.394 -0.211 30 20 DBED N#CCN1CC[C@@](O)(CNC(=O)Cn2ccc(C(F)F)n2)C1 1754754891 RMCRLKLUZHMKOQ-CYBMUJFWSA-N 313.308 -0.103 30 20 DBED C=CCCN1CC(O)(CNC(=O)Cc2nc(C3CC3)nn2C)C1 1754778735 HLRXZODJYCFCAM-UHFFFAOYSA-N 319.409 -0.026 30 20 DBED CC#CCN1CCC[C@@](CO)(NC(=O)c2cc(C(N)=O)c[nH]2)C1 1754859245 SGGAWJRPNKUPLE-MRXNPFEDSA-N 318.377 -0.306 30 20 DBED C=CCOCCN1CCOC[C@H]1CNC(=O)c1cnc(O)n1C 1754970243 PDDNPEGRWTZVNU-GFCCVEGCSA-N 324.381 -0.241 30 20 DBED C=C(C)CN1CC2(C[C@@H](NC(=O)C[C@H](C)NC(N)=O)CO2)C1 1755061418 KDPYZZPNCKHQAG-NWDGAFQWSA-N 310.398 -0.031 30 20 DBED C=CCNC(=O)CN[C@H](C)[C@H]1CN(C(=O)c2cnco2)CCO1 1755444459 LRBONLIWPBIQOR-DGCLKSJQSA-N 322.365 -0.204 30 20 DBED C#CCN(C)CCOCCNC(=O)c1cccnc1C(N)=O 1755546067 KVBAVNNBNWVXOZ-UHFFFAOYSA-N 304.350 -0.508 30 20 DBED C[C@@H](CN(C)C(=O)Cc1ncccc1F)NCC(=O)NCC#N 1755602942 XJCCFTOZDVJTEM-NSHDSACASA-N 321.356 -0.161 30 20 DBED C=CCNC(=O)CN[C@@H](C)CN(C)C(=O)c1cn(C)c(O)n1 1755607579 XYMWSGVXOBPQMP-JTQLQIEISA-N 309.370 -0.522 30 20 DBED C#CCN(C)C[C@@H](O)CN(C)C(=O)COc1c(C)nn(C)c1C 1755800686 LRLLLBDQZSGYBU-CQSZACIVSA-N 322.409 -0.200 30 20 DBED COCC#CCN(C)C[C@@H](O)CN(C)C(=O)CN1CCCC1 1755808273 SRAUGGNXICTYGD-OAHLLOKOSA-N 311.426 -0.517 30 20 DBED C[C@H](C#N)C(=O)N1CC(CCO)(NC(=O)CCCCC(N)=O)C1 1756089322 QGVRYMCRMPAUCZ-LLVKDONJSA-N 324.381 -0.729 30 20 DBED C#CCCCC(=O)N[C@H](CO)CNC(=O)Cn1nc(C)cc1C 1756532690 KPRNRJUGLGNQME-AWEZNQCLSA-N 320.393 -0.103 30 20 DBED N#CCC(=O)N1CCCC2(CCN(C(=O)[C@@H](N)CN)CC2)C1 1809018809 RNFOAMULPCWZEO-LBPRGKRZSA-N 307.398 -0.583 30 20 DBED COC[C@@H](NC(C)=O)C(=O)N1CCCC12CN(C(=O)CC#N)C2 1844383851 CIMDRLNVKQERBK-GFCCVEGCSA-N 322.365 -0.745 30 20 DBED C#CC(=O)N1CCCC12CN(C(=O)c1ccc(OC)nn1)C2 1845959619 LFOXKXMKOAGJAZ-UHFFFAOYSA-N 300.318 -0.065 30 20 DBED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)[C@H]2CCOC2)C1 1846692998 VGCWDHMXBCKZAB-NSHDSACASA-N 306.318 -0.686 30 20 DBED N#CCNC(=O)CN1CCN(CC(=O)NC2CCCCC2)CC1 108862680 HRLCGJSMSSXVDJ-UHFFFAOYSA-N 321.425 -0.307 30 20 DBED C=CCC[C@H](O)CN1CCN(C(=O)CN2CCOCC2)CC1 121666236 LGWXULLSIATUSI-HNNXBMFYSA-N 311.426 -0.210 30 20 DBED CN(CCC#N)C(=O)CCN1CCN(c2cnn(C)c2)C(=O)C1 131777794 YXKPJINLBWGKCF-UHFFFAOYSA-N 318.381 -0.169 30 20 DBED CN1CC[C@H](NC(=O)CNC(=O)c2ccc(C#N)cc2)C1=O 172417535 IPZXBJLUKZADHH-LBPRGKRZSA-N 300.318 -0.365 30 20 DBED C[C@H](CC#N)N(C)CCn1cnc2c1c(=O)n(C)c(=O)n2C 182458522 BBGRETHLTCBSNR-SNVBAGLBSA-N 304.354 -0.332 30 20 DBED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC[C@H]2C(N)=O)CC1 245563238 PQXMHKIWGYCKLI-UONOGXRCSA-N 321.425 -0.372 30 20 DBED C#CCN1CCC(C(=O)N2CCC[C@@H](O)[C@@H]2C(=O)OC)CC1 275514788 IOYSUDUPXUEQGJ-ZIAGYGMSSA-N 308.378 -0.144 30 20 DBED C#CCN(C)CCCNC(=O)[C@H](CCSC)NC(N)=O 294102983 YJABNJJTTGSCRN-NSHDSACASA-N 300.428 -0.152 30 20 DBED CN(C)C(=O)[C@@H]1CCCN1CCC/N=C(/N)N1CCOCC1 303977688 LMGBFOSEIPHILN-ZDUSSCGKSA-N 311.430 -0.424 30 20 DBED CC(C)Oc1ccc(N/C(O)=N/CC(=O)N2CCOCC2)nn1 328952082 CUJJLTLMGVZJBL-UHFFFAOYSA-N 323.353 0.449 30 20 DBED C[C@@H](CN1CCN(C)CC1)N/C(O)=N/CC(=O)N1CCCC1 329190054 RTFLZKGUYLVLEL-ZDUSSCGKSA-N 311.430 -0.252 30 20 DBED COCC(=O)N1CCN(/C(O)=N/[C@H]2CCN(C3CC3)C2)CC1 329320906 UIAULHFAHDWBES-LBPRGKRZSA-N 310.398 -0.072 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N1CCC(N(C)CCO)CC1 330394395 QXXQFIQYJYRRSV-GFCCVEGCSA-N 318.443 -0.289 30 20 DBED CC/N=C(/O)N1CC[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)C1 330997296 IOVGAHIABJDAKP-SECBINFHSA-N 311.342 -0.995 30 20 DBED CC/N=C(/O)NC(=O)CN1CCN(C(=O)CCOC)CC1 331046842 GJGTVYGNWVXSQJ-UHFFFAOYSA-N 300.359 -0.783 30 20 DBED C[C@@H]1CCCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)[C@@H]1CO 336950727 TZEKDXFYYNQMIW-GRYCIOLGSA-N 303.384 -0.452 30 20 DBED C[C@@H](CNS(=O)(=O)N1CCO[C@H](C#N)C1)N(C)C1CC1 337089963 IZUULCKWDRQZRO-CMPLNLGQSA-N 302.400 -0.472 30 20 DBED CC1(C)CN(S(=O)(=O)N2CCO[C@H](C#N)C2)CC[C@@H]1O 337197036 WUNFYDFIRKGUFY-MNOVXSKESA-N 303.384 -0.452 30 20 DBED C[C@@H](CO)N(CC1CCC1)S(=O)(=O)N1CCO[C@@H](C#N)C1 337787511 YGIKIDMQHMSZEE-AAEUAGOBSA-N 317.411 -0.062 30 20 DBED C=CCN1CCC(NC(=O)C(=O)N2CCC[C@H](CO)C2)CC1 339308538 YGCNLRCJMXLLBU-ZDUSSCGKSA-N 309.410 -0.016 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H](O)CC2)C1=O 341342170 IKZUCERNHHFMOC-JTQLQIEISA-N 309.322 -0.663 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1C 341949370 HMFZPCSINRVHJA-KXUCPTDWSA-N 309.413 -0.655 30 20 DBED C=CCN1CCC(NC(=O)C(=O)NC[C@@H]2COCCO2)CC1 342654425 XBQMWFTZKUSQCU-CYBMUJFWSA-N 311.382 -0.715 30 20 DBED C[C@H](O)C(=O)N1CCN([C@@H](C)C(=O)NC2(C#N)CCC2)CC1 346548299 ARISXNWOOPXGHG-RYUDHWBXSA-N 308.382 -0.538 30 20 DBED C=CCOC[C@@H]1NC(=O)N([C@H](C)CS(=O)(=O)CC)C1=O 348580584 BLRMWPSSAYAMOM-ZJUUUORDSA-N 304.368 -0.067 30 20 DBED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2C[C@@H](O)C[C@@H]2C)n1 351049097 AXTDXXUPDJIQKI-ONGXEEELSA-N 305.338 0.256 30 20 DBED N#CCNC(=O)CNC(=O)N1CCN(c2cccc(O)c2)CC1 358311634 KRGWARUWDHLHMP-UHFFFAOYSA-N 317.349 -0.136 30 20 DBED N#Cc1ccc(C(=O)N2CCS(=O)(=O)[C@H](C(=O)O)C2)cc1 424246161 PTUNBPAWMCEKDM-NSHDSACASA-N 308.315 -0.118 30 20 DBED C=CCC[C@H](CO)NC(=O)Nc1ncn(CC(=O)OCC)n1 425708676 HKRJVEJXQPREAZ-SNVBAGLBSA-N 311.342 0.290 30 20 DBED C#CC(C)(C)N(C)CC(=O)N1CCN(CC(=O)N(C)C)CC1 491645664 PUVTYKFAVNQDBL-UHFFFAOYSA-N 308.426 -0.438 30 20 DBED N#Cc1cccc(NC(=O)C(=O)N2CCN3C(=O)OC[C@H]3C2)n1 496660142 JGOKIBFHJPEDPD-SNVBAGLBSA-N 315.289 -0.445 30 20 DBED CN(CCC#N)C[C@H](O)CNC[C@H]1CC[C@H](C(=O)N(C)C)O1 515414350 IGCWDHIEAGLCSX-MGPQQGTHSA-N 312.414 -0.582 30 20 DBED C[C@H](C#N)CNS(=O)(=O)c1ccc(S(N)(=O)=O)cc1 530586144 AUBGTQZPYMPKLU-MRVPVSSYSA-N 303.365 -0.228 30 20 DBED C=CCN(C(=O)c1ccc2nnnn2c1)[C@@H]1CCS(=O)(=O)C1 531554057 LMUOVRSFRRIMRQ-LLVKDONJSA-N 321.362 -0.060 30 20 DBED C=CCn1c(CC)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 558663106 MOUJWONIXGRQLG-JTQLQIEISA-N 304.354 -0.827 30 20 DBED N#CCCS(=O)(=O)N1CCC[C@](O)(C(=O)N2CCCC2)C1 565234620 IEYXGFTUEFOGLX-CYBMUJFWSA-N 315.395 -0.321 30 20 DBED CC[C@@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(N)=O 583632519 BJNPPXQTKPHMHV-LLVKDONJSA-N 324.362 -0.783 30 20 DBED N#CC1CN(C(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C1 590489429 QGFALADPTYZQPW-UHFFFAOYSA-N 310.291 -0.162 30 20 DBED Cn1nnc2cc(NC(=O)C(=O)N3CCO[C@@H](C#N)C3)ccc21 592284931 IJKFQQDAOLZEOW-JTQLQIEISA-N 314.305 -0.342 30 20 DBED C[C@@H](C(=O)N(C)C)S(=O)(=O)N1CCN(CCC#N)CC1 601535507 AWPZMBDWHBUSLR-NSHDSACASA-N 302.400 -0.676 30 20 DBED Cc1ccc(S(N)(=O)=O)cc1C(=O)N1CCN(CC#N)CC1 604563859 YGMSPVDQAMMWRZ-UHFFFAOYSA-N 322.390 -0.076 30 20 DBED CCN1C(=O)[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)CCN2C1=O 610626792 OZAGZDZKIPRYKC-NSHDSACASA-N 301.306 -0.005 30 20 DBED CN(C)C(=O)CNC(=O)C(=O)N[C@@H]1CCc2cc(C#N)ccc21 618880541 LDNSHUBVOSMLLL-CYBMUJFWSA-N 314.345 -0.134 30 20 DBED COCCN(CCC#N)S(=O)(=O)NCc1cc(C)[nH]n1 619710279 BTUPLAYXZZXKPQ-UHFFFAOYSA-N 301.372 -0.085 30 20 DBED CC(=O)N[C@@H]1CCN(CC#CCN2CC[C@@H](NC(C)=O)C2)C1 625480313 WJHHXVPUEKGLOZ-HZPDHXFCSA-N 306.410 -0.589 30 20 DBED C=CCN1CC(=O)N(C2CCN(CC(=O)N(C)C)CC2)C1=O 761264745 BAWFJBJARFDPBV-UHFFFAOYSA-N 308.382 -0.011 30 20 DBED C#CCOCCNC(=O)C(=O)Nc1ccc2c(c1)CC(=O)N2C 789728475 KLXFDYOLIDDTMS-UHFFFAOYSA-N 315.329 -0.090 30 20 DBED CN1CC[C@@H](C(=O)NS(=O)(=O)c2cncc(C#N)c2)C1=O 813979823 FMTFNGYOPTZUGI-JTQLQIEISA-N 308.319 -0.764 30 20 DBED C[C@@]1(C2CC2)NC(=O)N(CC(=O)N[C@H]2CCCN(O)C2=O)C1=O 816759189 HJKBTUXGCKEEEC-XPTSAGLGSA-N 324.337 -0.797 30 20 DBED CNC(=O)[C@@H](O)CNC[C@@H](O)COc1ccc(CC#N)cc1 843111496 SSKRLRYDHUTHAE-OCCSQVGLSA-N 307.350 -0.811 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccns2)C1=O 862413238 KGZOSXWZGQMWRZ-UHFFFAOYSA-N 308.319 -0.264 30 20 DBED N#CCCN1CCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](O)[C@H]3C2)CC1 910767550 UDMMAFXLGDKEJY-HZSPNIEDSA-N 320.393 -0.726 30 20 DBED C#CCNC(=O)[C@@H](C)OC(=O)c1ccc(NCC(N)=O)cc1 919469270 LPGYBZATKWBKQD-SNVBAGLBSA-N 303.318 -0.122 30 20 DBED C#CCNC(=O)[C@@H](C)OC(=O)CN(C)C(=O)[C@H](C)n1cccn1 920546770 DMQWVCDGFRNWAT-NWDGAFQWSA-N 320.349 -0.416 30 20 DBED C#CCN(CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1)C(C)C 932393651 DIIVXLXSMBFWNP-NSHDSACASA-N 315.395 -0.657 30 20 DBED CN(C(=O)[C@@H]1CCC(=O)N1)[C@@H]1CCN(C(=O)C#CC2CC2)C1 937349761 KZAYQEYJWFKINF-OLZOCXBDSA-N 303.362 -0.262 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2nnn(C)n2)C1 938863084 OZHBQRPGZFUFFY-AXFHLTTASA-N 320.353 -0.868 30 20 DBED CCN1CCO[C@H](C(=O)N2CCCN(C(=O)[C@H](C)C#N)CC2)C1 941239082 WKBOJADCTKGAGK-KGLIPLIRSA-N 322.409 -0.072 30 20 DBED CCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2OC)nn1 946527823 YOZVXSOBYLEOCU-HOSYDEDBSA-N 320.353 -0.587 30 20 DBED C=CCCN1CC[C@H](NC(=O)CN2CCNC(=O)C2)C[C@H]1C 947619925 KVJQKJMFHGTDAS-KGLIPLIRSA-N 308.426 -0.037 30 20 DBED C=CCN1CCC2(CC1)CN(C(=O)[C@@H]1CNC(=O)N1)CCO2 949174212 LAKSUQWOBLZJEV-LBPRGKRZSA-N 308.382 -0.453 30 20 DBED C=CCN1CC[C@@H](N2CC(N(CC)C(=O)c3cnn[nH]3)C2)C1=O 950714977 CUAJIROQUOXNAG-CYBMUJFWSA-N 318.381 -0.262 30 20 DBED CC#CCN1C[C@H](O)[C@H](CNC(=O)c2cc(C(N)=O)cn2C)C1 958219964 QOCIVKKXOLHBOC-OCCSQVGLSA-N 318.377 -0.830 30 20 DBED CC#CCN1C[C@@H](O)[C@H](CNC(=O)c2nc[nH]c3nccc2-3)C1 958220151 UEMMBZHWPRWKTJ-DGCLKSJQSA-N 313.361 -0.045 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2cn(CCC(C)C)nn2)C1 958403281 CGWYLRPRMFDYFO-UKRRQHHQSA-N 319.409 -0.020 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2nn(C)c3c2CCCC3)C1 958408144 FIZROPZILWZPPO-IUODEOHRSA-N 316.405 -0.045 30 20 DBED C=CCCN1C[C@@H](O)[C@H](CNC(=O)c2ccc(=O)n(CC)n2)C1 958495493 ZXCPMUXPVRYQRG-TZMCWYRMSA-N 320.393 -0.138 30 20 DBED Cn1cnnc1CN1C[C@@H]2C(NC(=O)c3cc(C#N)c[nH]3)[C@H]2C1 958501135 WYYUYXPRGKWGLP-QWRGUYRKSA-N 311.349 -0.125 30 20 DBED C=CCN1C[C@@H](O)[C@H](CNC(=O)c2cccc(C(=O)NC)n2)C1 958629803 DIQHZDMQAWZYTP-BXUZGUMPSA-N 318.377 -0.350 30 20 DBED C#CCN1C[C@H](CNC(=O)c2csc(COC)n2)[C@@H](O)C1 958744616 RFPWNHAEIGKIDJ-JQWIXIFHSA-N 309.391 -0.055 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cncn2C)C1 958884089 OPOLTAIWVCDRII-USWWRNFRSA-N 305.338 -0.777 30 20 DBED C=CCn1cc(C(=O)N2C[C@H](O)[C@H](NC(=O)C3CCC3)C2)nn1 961127338 VHCHMAFAQLCPMQ-YPMHNXCESA-N 319.365 -0.434 30 20 DBED N#Cc1cc(C(=O)N2C[C@H](O)[C@H](NC(=O)CC3CC3)C2)c[nH]1 961134050 DIKFBXILWXJQNE-OLZOCXBDSA-N 302.334 -0.012 30 20 DBED Cc1ncc(C(=O)N[C@@H]2COC3(C2)CN(C(=O)[C@H](C)C#N)C3)[nH]1 965655887 NEAIUJVGMLDYSS-KOLCDFICSA-N 317.349 -0.023 30 20 DBED C[C@H](C#N)C(=O)N1CC2(C[C@@H](NC(=O)c3ccn(C)n3)CO2)C1 965710591 QTBJYUAGDNCXJG-GHMZBOCLSA-N 317.349 -0.321 30 20 DBED CN(C[C@@H]1CCCN(C(=O)C(N)=O)C1)C(=O)c1ccc(C#N)[nH]1 967401193 WCKUWHUPKZUNFF-JTQLQIEISA-N 317.349 -0.318 30 20 DBED C[C@H](C(=O)N1C[C@H]2CC[C@H]1CN2CC#N)N1C(=O)CCC1=O 971449388 YKDOWBJHVRFZDC-UTUOFQBUSA-N 304.350 -0.277 30 20 DBED CC(=O)N1CCO[C@@H](C(=O)N[C@H]2CN(CC#N)CC2(C)C)C1 977538331 FWCSTSJTOFCJJT-OLZOCXBDSA-N 308.382 -0.416 30 20 DBED N#Cc1cc(C(=O)N2CC[C@@H](CNC(=O)c3cnn[nH]3)C2)c[nH]1 982668127 MIHUJLSMUVGOSO-VIFPVBQESA-N 313.321 -0.103 30 20 DBED CC[C@@H]1[C@@H](NC(=O)C(N)=O)CCN1C(=O)c1cc(C#N)c[nH]1 985369720 PCEPFNHKNPEFOQ-GXSJLCMTSA-N 303.322 -0.519 30 20 DBED C[C@@H]1[C@@H](NCC#N)CCN1C(=O)CCc1nnc(O)nc1O 986461124 JBYMQQOTASTWBC-BDAKNGLRSA-N 306.326 -0.682 30 20 DBED C[C@H]1[C@@H](NCC#N)CCN1C(=O)Cn1[nH]cc2c(=O)ncnc1-2 987192310 ZWZHIUHOMFURIC-ONGXEEELSA-N 315.337 -0.826 30 20 DBED C=CCN[C@H]1C[C@@H](C)N(C(=O)CN2C(=O)C(=O)N(C)C2=O)C1 989513370 CQMPHUILCBDDTB-ZJUUUORDSA-N 308.338 -0.828 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(NCC(=O)N2CCO[C@H](C)C2)CC1 990315876 VXIHTHRDJOVLCZ-QWHCGFSZSA-N 322.409 -0.026 30 20 DBED N#CCN1CC[C@@]2(NC(=O)CN3CCOCC3=O)CCC[C@@H]12 991067766 MXJWFYQQHQHEGC-DOMZBBRYSA-N 306.366 -0.518 30 20 DBED C#CCCN1CC[C@]2(NC(=O)CN3CCNC(=O)C3)CCC[C@H]12 992108722 QKPADARIFORVQK-WMLDXEAASA-N 318.421 -0.445 30 20 DBED C[C@H](C#N)C(=O)N1CC(NC(=O)c2cc3n(n2)CCCO3)C1 996888016 OJAYHYWHXICHIW-SECBINFHSA-N 303.322 -0.234 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)c2ccnc3c2nnn3C)C1 998518228 PNXWYDQNTAUWDC-QMMMGPOBSA-N 313.321 -0.536 30 20 DBED CN(C(=O)c1c[nH]c(C#N)c1)C1CC(NCc2nnnn2C)C1 998653599 FYPLJCXSFUDGRS-UHFFFAOYSA-N 314.353 -0.197 30 20 DBED C[C@H]1CC(=O)N[C@@H](C(=O)NCC2CN(C(=O)[C@H](C)C#N)C2)C1 1002209634 DBINWYKWLJPAMZ-CKYFFXLPSA-N 306.366 -0.365 30 20 DBED C[C@@H]1C[C@@H](C(=O)NCC2CN(C(=O)C#CC3CC3)C2)CC(=O)N1 1003002440 WZTXNQZLSOUTSY-BXUZGUMPSA-N 317.389 -0.111 30 20 DBED C#Cc1cncc(C(=O)NCC2CN(C(=O)CC(N)=O)C2)c1 1004198877 KHRNINSPLZYZCY-UHFFFAOYSA-N 300.318 -0.874 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCC1CN(C(=O)c2cnnn2C)C1 1004520399 BNHGAFWROQCTFG-YPMHNXCESA-N 319.365 -0.406 30 20 DBED O=C1CC[C@H](C(=O)NC[C@H]2[C@@H]3CN(C(=O)C#CC4CC4)C[C@H]23)N1 1008895194 ZHRQIOZXOJGFBG-YIYPIFLZSA-N 315.373 -0.501 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCN([C@H](C)C(=O)NC)C2)nn1 1015811115 ZTKKZGCCRUWXJS-GHMZBOCLSA-N 306.370 -0.597 30 20 DBED C#CCN1CCC2(CC1)C[C@@H]2NC(=O)Cn1ccc(O)nc1=O 1016715276 OBXUJRULXWVYIL-LBPRGKRZSA-N 316.361 -0.447 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CN(C(=O)C(C)(C)C)C[C@H]2O)nn1 1023770744 CZRHAXGXRPKUCI-ZYHUDNBSSA-N 321.381 -0.188 30 20 DBED C#CCN1CCC(C(=O)N[C@@H]2CN(C(=O)CC)C[C@H]2O)CC1 1024131270 DSJKCUZIHGUCNW-ZIAGYGMSSA-N 307.394 -0.571 30 20 DBED C=CCN1CCC[C@@H]1CNC(=O)C1CC2(C1)NC(=O)NC2=O 1028196384 JPWYIZUTCAXDDS-LOIXOFCESA-N 306.366 -0.259 30 20 DBED N#CCN1[C@H]2CC[C@H]1CN(C(=O)CC[C@H]1CC[C@@H](C(N)=O)O1)C2 1029395806 GOGOSMIEVRFADG-FQUUOJAGSA-N 320.393 -0.002 30 20 DBED N#Cc1ccc(F)c(CN2CC(NC(=O)Cn3ncnn3)C2)c1 1030316025 UFOGJYGLOYSTHN-UHFFFAOYSA-N 315.312 -0.316 30 20 DBED C=CCN1CC[C@H](N2CC[C@@H](N(C)C(=O)c3cnn[nH]3)C2)C1=O 1033222829 SHRSGIRFMCQFGE-YPMHNXCESA-N 318.381 -0.262 30 20 DBED CCN(C(=O)[C@H]1CC(=O)N(CCOC)C1)[C@H]1CCN(CC#N)C1 1033855223 YXSUPNYNMVNOPX-KBPBESRZSA-N 322.409 -0.072 30 20 DBED C=CCCn1cc(C(=O)N[C@H]2CC[C@H](NCC(N)=O)CC2)nn1 1034752484 NMUJXHMGFFXEBJ-HAQNSBGRSA-N 320.397 -0.030 30 20 DBED C=CCN1CCO[C@@H](CNC(=O)[C@@H]2CCc3nnc(O)n3C2)C1 1035425242 UMEGWUHZYPWXFZ-NEPJUHHUSA-N 321.381 -0.451 30 20 DBED CC[C@H]1CN(C(=O)CCn2ncn(C)c2=O)CC[C@@H]1NCC#N 1037887758 RIYJOOQYARNWLP-STQMWFEESA-N 320.397 -0.288 30 20 DBED CCn1cnc(C(=O)NC[C@]2(O)CCN(C(=O)[C@H](C)C#N)C2)c1 1040357560 QIBFFOPIFWSAPG-IAQYHMDHSA-N 319.365 -0.244 30 20 DBED C#CCN1CCC[C@]2(CCN(C(=O)C3CC(=O)NC(=O)C3)C2)C1 1040445827 ICKSGEJSNASCSP-KRWDZBQOSA-N 317.389 -0.013 30 20 DBED C=C(C)CCC(=O)N1CC(O)(CNC(=O)Cn2cccn2)C1 1041464717 URBMBDGDONLSAF-UHFFFAOYSA-N 306.366 -0.071 30 20 DBED CO[C@@H](C)CC(=O)N1CC(O)(CNC(=O)c2ccc(C#N)[nH]2)C1 1042608314 BOWJMGHWXYJMTF-JTQLQIEISA-N 320.349 -0.386 30 20 DBED CN(C(=O)c1ccc(C#N)[nH]1)C1CN(CCS(C)(=O)=O)C1 1042627430 SZJFYQFVUXFHOK-UHFFFAOYSA-N 310.379 -0.313 30 20 DBED CN(C(=O)c1c[nH]c(C#N)c1)C1CN(CC(=O)N2CCC2)C1 1042637137 ATJZRUNKKPHICJ-UHFFFAOYSA-N 301.350 -0.125 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)C[C@@H]2COC(=O)C2)C1 1042802819 NTSUMQRCNSRJIT-LBPRGKRZSA-N 322.361 -0.567 30 20 DBED C=CCC(CC=C)C(=O)NCC1(O)CN(C(=O)c2cnn[nH]2)C1 1043189433 GKVKKVAMOUSPBS-UHFFFAOYSA-N 319.365 -0.124 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCCN2C(N)=O)C1 1043724008 TUARROQXATWXQE-NSHDSACASA-N 324.381 -0.815 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2C(=O)OC)C1 1044483924 DAVHATCQHQEKBX-GHMZBOCLSA-N 324.377 -0.303 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)[C@H]2CN3CCC2CC3)C1 1045551557 JMBWLJHWVMVYLV-YPMHNXCESA-N 320.393 -0.823 30 20 DBED CC#CCN1CC[C@H](N2CCN(C(=O)[C@@H]3COCCO3)CC2)C1 1046009072 LWQQOOBXJWTKFD-HOTGVXAUSA-N 321.421 -0.356 30 20 DBED C[C@]1(NC(=O)c2c[nH]c(C#N)c2)CCN([C@@H]2CCNC2=O)C1 1046252708 HKENQVBNYTWPCA-DOMZBBRYSA-N 301.350 -0.031 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)c2ccc(O)nc2)C1 1046488753 VOELLDKGDFBUST-VIFPVBQESA-N 304.306 -0.750 30 20 DBED CN1CC(=O)N(CC(=O)N[C@H]2C[C@H]3C[C@@H](C2)N(CC#N)C3)C1=O 1047197963 QGHWCEUBPOWVJN-SRVKXCTJSA-N 319.365 -0.627 30 20 DBED COCCn1ncc(C(=O)N(C)[C@H]2CN(CC#N)C[C@@H]2O)c1C 1047378121 ULHDXEKPTQSXBU-KBPBESRZSA-N 321.381 -0.521 30 20 DBED N#CCN1C[C@H]2CN(C(=O)c3ccc(-n4cnnn4)cn3)C[C@H]2C1 1048958814 XDZIDJWVCXBOQC-TXEJJXNPSA-N 324.348 -0.415 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cncn2C)C1 1049044012 YVANDJKVKCDKPR-KBPBESRZSA-N 318.377 -0.277 30 20 DBED CC(=O)NCC(=O)N1CC[C@@H]([C@H](C)NC(=O)C#CC2CC2)C1 1049841452 YBJXFRZYAUHENF-SMDDNHRTSA-N 305.378 -0.111 30 20 DBED C#CCN1CC2(C1)CN(C(=O)[C@@H]1CCCN1CC#C)CCO2 1053291368 LOEGDFTXSAWLHJ-HNNXBMFYSA-N 301.390 -0.370 30 20 DBED CC(=O)N1CC[C@](C)(C(=O)N2CCOC3(CN(CC#N)C3)C2)C1 1053500982 HIQMPEOLTLFGLG-HNNXBMFYSA-N 320.393 -0.318 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)c3cnn(CCF)c3)CO2)C1 1053851844 CPNZHVRDEGYLSN-GFCCVEGCSA-N 307.329 -0.051 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)[C@@H]3CCCN(C(C)=O)C3)CO2)C1 1053864442 AFIADYDBAGJKKN-HUUCEWRRSA-N 319.405 -0.162 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)c3cn(C)ccc3=O)CO2)C1 1053867258 FSRHWAMXYUKVTO-CYBMUJFWSA-N 315.373 -0.018 30 20 DBED C[C@@H](C#N)C(=O)N[C@]1(CO)CCCN(C(=O)CSCC#N)C1 1056094112 QBZRIGOPPXUGCT-SMDDNHRTSA-N 324.406 -0.127 30 20 DBED N#Cc1nccnc1N[C@@H]1CCN(C(=O)CN2CCCC2=O)C1 1056579465 DAUGEQMHBBBAOJ-LLVKDONJSA-N 314.349 -0.017 30 20 DBED CN1CCO[C@@H](C(=O)N2CC[C@@H](Nc3ccc(C#N)nn3)C2)C1 1056599965 WNWFGRRLSJLUFB-CHWSQXEVSA-N 316.365 -0.308 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)[C@@H]1CCCOC1 1057179928 PBYZZAMLRJIBLZ-CYBMUJFWSA-N 314.382 -0.447 30 20 DBED O=C(C#CC1CC1)NCCN(CCO)C(=O)[C@@H]1CCCCO1 1057352486 DOGSQFASVMJPSV-AWEZNQCLSA-N 308.378 -0.094 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)Cc1cncnc1 1057517311 PQOBKIKCVFPUOD-UHFFFAOYSA-N 318.377 -0.384 30 20 DBED N#Cc1ccc(N[C@@H]2CCCN(C(=O)[C@@H]3CCNC3=O)C2)nn1 1057724350 GEZBCSMFOOMLMF-VXGBXAGGSA-N 314.349 -0.113 30 20 DBED Cc1nn[nH]c1C(=O)N(CCO)CCNC(=O)C#CC1CC1 1058274990 MTMCHOWPIJEHHF-UHFFFAOYSA-N 305.338 -0.923 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)[C@H]1CC[C@H]1C(N)=O 1058294092 IHAVZRLBZRIIDW-OLZOCXBDSA-N 323.393 -0.906 30 20 DBED C=C[C@H](C)[C@@H](C)C(=O)NCCN(CCO)C(=O)c1nc[nH]n1 1058388388 CXECZEKIDQGYCR-WDEREUQCSA-N 309.370 -0.186 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)Cc1ccc(F)cn1 1058659009 QKYLPIFJWYXPOF-NSHDSACASA-N 322.340 -0.140 30 20 DBED C=CCOCC(=O)NCC[C@H]1CCN(C(=O)c2ncn(C)n2)C1 1059590171 WZVMXIRPQZUMDD-LBPRGKRZSA-N 321.381 -0.014 30 20 DBED C=CCOCC(=O)NC[C@@H]1COCCN1C(=O)[C@@H](C)OC 1061420594 AMYXFKBRDRXIRI-VXGBXAGGSA-N 300.355 -0.433 30 20 DBED C#CCNC(=O)CC(=O)NCC1(NC(=O)C(F)F)CCC1 1062829175 CDPORRGAJBDUJZ-UHFFFAOYSA-N 301.293 -0.454 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H]1CCCN1C(=O)[C@H]1COC(=O)N1 1063479292 WYFVLIQKEWHIAC-DGCLKSJQSA-N 315.333 -0.114 30 20 DBED C=CCOCC(=O)NC1(CNC(=O)[C@@H]2CCC(=O)N2C)CCC1 1064040338 CCOMQUJABCFWCS-LBPRGKRZSA-N 323.393 -0.035 30 20 DBED C=CCCCC(=O)NC[C@H]1CN(C(=O)Cn2cnnn2)CCO1 1064841539 VHCGKGSQLCBQSZ-LBPRGKRZSA-N 322.369 -0.627 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CN(C(=O)c2ccnn2C)CCO1 1064943719 MFPQWCBULYGWJQ-WDEREUQCSA-N 305.338 -0.463 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCO[C@H](CNC(=O)c2cc[nH]n2)C1 1065151690 BLFDUJACIRIHKG-NWDGAFQWSA-N 320.349 -0.595 30 20 DBED C=CCCCC(=O)N1CCO[C@H](CNC(=O)Cn2nccn2)C1 1065546042 RSKGPDNYYNWFTO-CYBMUJFWSA-N 321.381 -0.022 30 20 DBED Cn1nnc(C(=O)NCC2[C@@H]3CN(c4ncccc4C#N)C[C@@H]23)n1 1068192195 JEJZAGBZTODWQF-RYUDHWBXSA-N 324.348 -0.411 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@]2(CCCN(C(=O)CNC(N)=O)C2)C1 1069709044 CVHFCUFUEOYWDS-ABAIWWIYSA-N 321.381 -0.345 30 20 DBED N#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H]2CCCOC2)C1 1069901473 HGLTUDBFAHOLJI-UPJWGTAASA-N 304.354 -0.430 30 20 DBED Cc1ncncc1C(=O)N1C[C@H](n2ccnn2)[C@H](NCC#N)C1 1070149137 QHOTWYCMDAQYDW-OLZOCXBDSA-N 312.337 -0.445 30 20 DBED C=CCN[C@@H]1CN(C(=O)c2cnn[nH]2)C[C@H]1c1cn(C)cn1 1070508879 RIQPRBHKICCACU-GXFFZTMASA-N 301.354 -0.078 30 20 DBED N#CCN1C[C@H]2C[C@H]3CN(C(=O)Cn4nccn4)C[C@@]3(C1)O2 1070806828 VTASLCGKRCZZHD-OUCADQQQSA-N 302.338 -0.897 30 20 DBED N#CCN1C[C@H]2C[C@H]3CN(C(=O)c4cncnc4O)C[C@@]3(C1)O2 1070815211 XEEVNHLJCHOZRR-FIXISWKDSA-N 315.333 -0.379 30 20 DBED C=CCO[C@H](C)C(=O)N1CCC[C@@H](NC(=O)c2nnn(C)n2)C1 1070905148 PCHHWLFMOYARDE-GHMZBOCLSA-N 322.369 -0.478 30 20 DBED COCC(=O)NCCC(=O)N[C@@H]1CCCN(C(=O)[C@H](C)C#N)C1 1071229058 GUHUJYWBWDNKEP-VXGBXAGGSA-N 324.381 -0.594 30 20 DBED C[C@H]1CC[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)CN1CC#N 1071549840 VDORRURIILJEBA-NWDGAFQWSA-N 319.365 -0.960 30 20 DBED C#CCOCCC(=O)N1C[C@H](C)[C@H](NC(=O)c2cnon2)C1 1072101039 MGFVELIWUDHWLG-CMPLNLGQSA-N 306.322 -0.314 30 20 DBED C#CCOCCC(=O)N[C@H]1CN(C(=O)c2[nH]nnc2C)C[C@@H]1C 1072494419 YIAPADKASWTKDT-JQWIXIFHSA-N 319.365 -0.270 30 20 DBED C=CCCN1CCC2(C1)CN(C(=O)Cn1ncn(C)c1=O)C2 1072881558 ZYMXTPFKSLEHSP-UHFFFAOYSA-N 305.382 -0.308 30 20 DBED C=CCOCC(=O)N1CC[C@H](NC(=O)Cn2nccn2)[C@H](C)C1 1073983013 LODGYPBAZFUCDW-OLZOCXBDSA-N 321.381 -0.166 30 20 DBED CC(C)N(C)CC(=O)N1CCC(O)(CNC(=O)[C@H](C)C#N)CC1 1074617780 DTOKMQBHEJXGIJ-CYBMUJFWSA-N 324.425 -0.044 30 20 DBED CC(C)C#CC(=O)N1CC[C@H](NC(=O)c2nnn(C)n2)C[C@@H]1C 1075109711 KMGJMMYGRNXNOC-RYUDHWBXSA-N 318.381 -0.021 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)c1nccs1 1076218791 GFGBVVAUOJHVSQ-JTQLQIEISA-N 322.390 -0.093 30 20 DBED C#CCN1C[C@@H]2CCN(C(=O)c3cn(C)c(=O)nc3O)[C@@H]2C1 1076566107 KSTKTMMVBLXETE-CMPLNLGQSA-N 302.334 -0.735 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCS(=O)(=O)C2)C1 1077333328 HJYMAYUASAQOBE-QJPTWQEYSA-N 302.396 -0.842 30 20 DBED C[C@@H](CCNC(=O)c1cn(C)c(=O)cn1)NC(=O)[C@@H](C)C#N 1077765985 LOOWVAHJOBXZQS-UWVGGRQHSA-N 305.338 -0.435 30 20 DBED O=C1NCC[C@@H]1NC[C@H]1CN(C(=O)C#CC2CC2)CCCO1 1078399050 WTVGKXDFIULQLG-KBPBESRZSA-N 305.378 -0.505 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H](C)CCNC(=O)Cn1cncn1 1078570444 LUNUICATLASJDU-FZMZJTMJSA-N 309.370 -0.384 30 20 DBED C=CCCOCC(=O)N1CCC[C@H](N(C)C(=O)C(N)=O)CC1 1079055453 ZIMNKYCNGKPFPJ-LBPRGKRZSA-N 311.382 -0.096 30 20 DBED C#CCNC(=O)CC(=O)N(CC)C1CN(C(=O)C2(CF)CC2)C1 1079645592 HVYGXDMAGRXOTM-UHFFFAOYSA-N 323.368 -0.065 30 20 DBED C#CCN1C[C@@H](NC(=O)c2ccc(-n3cnnn3)cn2)[C@H](C)C1 1080188265 AWEWHUMKVKJFMM-BXUZGUMPSA-N 311.349 -0.259 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)C2(C(=O)NC)CC2)C[C@H]1O 1081335392 KSSXGLPLDCTILY-NWDGAFQWSA-N 323.393 -0.586 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H]1CN(C(=O)CC(C)C)C[C@@H]1O 1081417354 SBGBQYIJKUHIAS-STQMWFEESA-N 323.393 -0.893 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2cnnn2C)C1 1081444462 JCPJYMKKOMFKLD-ZYHUDNBSSA-N 307.354 -0.670 30 20 DBED C=CCCCC(=O)NC[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@@H]1O 1081703715 UCPHKVQJSSRMLT-NEPJUHHUSA-N 321.381 -0.280 30 20 DBED C=CCC1(C(=O)NC[C@@H]2CN(C(=O)C(N)=O)C[C@@H]2O)CCC1 1081740829 BHIAEMPFDCYRNQ-MNOVXSKESA-N 309.366 -0.846 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2cncn2C)[C@H](OC)C1 1082148889 WVKWQGQAWDWBPR-RGCMKSIDSA-N 302.378 -0.028 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2ccn(-c3ccncc3)n2)C1 1083630648 HBYJEGKTLFCNTG-CABCVRRESA-N 311.345 -0.325 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)[C@@]2(C)CNC(=O)C2)C1 1083664400 OFFXSQGIUIHLDA-GBIKHYSHSA-N 301.774 -0.574 30 20 DBED C=CCN1CC[C@@H]2CN(C(=O)CC[C@H]3NC(=O)NC3=O)[C@@H]2C1 1084819477 DAZREEHMAPFCIT-IJLUTSLNSA-N 306.366 -0.307 30 20 DBED CN(C[C@H]1CCN1Cc1nnn(C)n1)C(=O)c1c[nH]c(C#N)c1 1085556344 OGGJFCCRDRVFSX-GFCCVEGCSA-N 314.353 -0.244 30 20 DBED N#CCN[C@H]1CCCCCN(C(=O)C[C@@H]2CC(=O)NC2=O)C1 1088435858 RGWZMQBVDYLUKN-RYUDHWBXSA-N 306.366 -0.076 30 20 DBED CC[C@@H](OC)C(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1O 1090374451 YVALFMBYUNCHCL-IJLUTSLNSA-N 305.338 -0.561 30 20 DBED CO[C@@H](C)CCC(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1O 1090401705 WCAWXMSAHUZIRK-CYZMBNFOSA-N 319.365 -0.171 30 20 DBED CO[C@H](C)CC(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1091073269 NXEWLEWUFWMUFJ-JLLWLGSASA-N 305.338 -0.561 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1C[C@@H](CNC(=O)Cn2nccn2)C1 1091374159 KMAWJACVYMSXFJ-BJHJDKERSA-N 311.349 -0.026 30 20 DBED CC(=O)NCC(=O)N[C@H]1CCN(c2ccc(C#N)nc2)C[C@H]1O 1092128641 JQQPWQJYIKXSRD-UONOGXRCSA-N 317.349 -0.855 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(c2cnc(F)cn2)C[C@@H]1O 1092153941 PBBZIPINTRCMCL-MNOVXSKESA-N 310.329 -0.126 30 20 DBED CN(C)CCOCC(=O)N1CCN(c2nccnc2C#N)CC1 1093166414 QYTNHPDVBLWFMY-UHFFFAOYSA-N 318.381 -0.425 30 20 DBED N#CCN1CC(OC2CCN(C(=O)Cc3nc[nH]n3)CC2)C1 1093590035 CAVAIAWOYCEUDD-UHFFFAOYSA-N 304.354 -0.437 30 20 DBED N#Cc1nc(=NCCNC(=O)c2noc3c2COCC3)cc[nH]1 1093670258 ULDLOGARMURAKM-UHFFFAOYSA-N 314.305 -0.327 30 20 DBED CCCN1C[C@H](C(=O)NCCN=c2cc[nH]c(C#N)n2)CC1=O 1094168121 UFWWWHJIVOQXMH-LLVKDONJSA-N 316.365 -0.443 30 20 DBED Cc1cc(=NCCCNC(=O)[C@@H]2CCNC2=O)c(C#N)c[nH]1 1094706987 MTOQGBGCEHPFOM-LBPRGKRZSA-N 301.350 -0.262 30 20 DBED C#CCCN1CC(N2C[C@@H](NC(=O)C[C@@H]3CCOC3)CC2=O)C1 1094716092 VPPVTOZTRUJFSC-KBPBESRZSA-N 319.405 -0.162 30 20 DBED N#Cc1ccc(N2CCC[C@H](NC(=O)CNC(N)=O)C2)nn1 1096136477 JFYUNTZFFNHYGU-JTQLQIEISA-N 303.326 -0.898 30 20 DBED N#Cc1cnc(N[C@H](CNC(=O)CCNC(N)=O)C2CC2)cn1 1096668984 MDGWMISBSQXFHQ-LLVKDONJSA-N 317.353 -0.287 30 20 DBED COCC(=O)N(C)CC(=O)NC[C@H](C)Nc1ccc(C#N)nc1 1098329973 UCJOLWLBYRUDKY-NSHDSACASA-N 319.365 -0.025 30 20 DBED C[C@@H](CCNC(=O)C1=COCCO1)N=c1cc[nH]c(C#N)n1 1098798141 PYAYNSPKZCQZRU-JTQLQIEISA-N 303.322 -0.035 30 20 DBED N#Cc1ccccc1CN1CC[C@H](NC(=O)CC(N)=O)[C@@H](O)C1 1099757451 FTLZJLUOQGIZLC-KBPBESRZSA-N 316.361 -0.515 30 20 DBED C#CCCN1CC[C@H](NC(=O)CCCn2ccnn2)[C@H](O)C1 1099869628 SCXWHGBHDFRCKZ-UONOGXRCSA-N 305.382 -0.367 30 20 DBED C#CCCN1CC[C@H](NC(=O)COCc2nccn2C)[C@@H](O)C1 1099887694 JBNOPBXNVAURLD-KBPBESRZSA-N 320.393 -0.489 30 20 DBED CC(C)N(C)C(=O)C1(C(=O)N[C@H]2CCN(CC#N)C[C@H]2O)CC1 1100054506 WCALYVMXMINAJF-QWHCGFSZSA-N 322.409 -0.292 30 20 DBED C#CCN1CC[C@H](NC(=O)CCCc2nc(C)no2)[C@@H](O)C1 1100112994 YAJHNFMOGLWFRJ-STQMWFEESA-N 306.366 -0.115 30 20 DBED C#CCNC(=O)CC(=O)NCCN(CC)c1nc(C)ns1 1100492541 HNWKEOIKORVIAD-UHFFFAOYSA-N 309.395 -0.071 30 20 DBED C[C@H](NC(N)=O)C(=O)NC[C@@H]1CCCN1c1nccnc1C#N 1100825555 SBMKFZKOCMAURN-UWVGGRQHSA-N 317.353 -0.510 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H]2CN(CCOCC)C[C@@]2(C)C1 1101205627 YZAHIFZFAJSDRC-PBHICJAKSA-N 321.421 -0.057 30 20 DBED CC[C@H](CNC(=O)[C@H]1CCC(=O)N1)N=c1cc[nH]cc1C#N 1102992587 XWRKIMAATVPMPY-DGCLKSJQSA-N 301.350 -0.040 30 20 DBED CC[C@@H](CNC(=O)C[C@@H](C)NC(N)=O)N=c1cc[nH]c(C#N)n1 1103196440 QODJXFPJRPLHIW-ZJUUUORDSA-N 319.369 -0.476 30 20 DBED C[C@H](NC(N)=O)C(=O)N(C)[C@H](C)CN=c1cc[nH]cc1C#N 1104534752 AJOKTDJPUMBBOG-ZJUUUORDSA-N 304.354 -0.309 30 20 DBED C[C@@H]1OCC[C@H]1C(=O)N1CC(n2cc(CNCC#N)nn2)C1 1105349926 SZHBUYLKVIGCFT-GXFFZTMASA-N 304.354 -0.300 30 20 DBED CN(CCN(C)c1cnc(C#N)cn1)C(=O)Cn1nccn1 1105483516 QTAUFEKZFKPGKK-UHFFFAOYSA-N 300.326 -0.465 30 20 DBED N#Cc1cncc(NC[C@H]2CCC[C@@H]2NC(=O)CNC(N)=O)n1 1105635506 MVRZZGUQAABJNQ-KOLCDFICSA-N 317.353 -0.287 30 20 DBED COCCOCC(=O)N1CCC(OC2CN(CC#N)C2)CC1 1105699689 CVSPEXOGDSHDIS-UHFFFAOYSA-N 311.382 -0.135 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)c2ncc[nH]2)C[C@H]1C 1106091676 ARRSDIFUUWJLSA-VXGBXAGGSA-N 303.366 -0.543 30 20 DBED C[C@H](CNc1cnc(C#N)cn1)NC(=O)CNC(=O)C1CC1 1107657996 CKOJLNPJXLLUJW-SECBINFHSA-N 302.338 -0.209 30 20 DBED CNC(=O)C1(C(=O)N[C@H](C)CN=c2cc[nH]cc2C#N)CC1 1107829682 KNNPTNTUWXTJNV-SNVBAGLBSA-N 301.350 -0.182 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)CNC(=O)N2CCCC2)C1 1107939354 AAAGGIFGOUWYQL-MRXNPFEDSA-N 322.409 -0.368 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)C(=O)N2CC[C@@H](C)C2)C1 1108330613 CWQRJTSHLZJIKH-CJNGLKHVSA-N 307.394 -0.305 30 20 DBED Cc1ccc(=O)n(CC(=O)NC[C@]2(C)CN(CC#N)CCO2)n1 1108355026 UFGHFDAITZPJDI-OAHLLOKOSA-N 319.365 -0.718 30 20 DBED C#CCCN1CCO[C@@](C)(CNC(=O)CN2C(=O)CCC2=O)C1 1108388221 YTBWWCIIVZEBIR-INIZCTEOSA-N 321.377 -0.634 30 20 DBED COc1cnc(C(=O)N[C@@H](C)CN=c2cc[nH]c(C#N)n2)nc1 1108801504 MPXPCQGVRWGJHR-VIFPVBQESA-N 313.321 -0.201 30 20 DBED C[C@@H](CN(C)c1cnc(C#N)cn1)NC(=O)c1ncn(C)n1 1108932876 GXODYTDZGISWRY-VIFPVBQESA-N 300.326 -0.269 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1nnn(C)n1 1109267890 SWQLEOUIDLRGEJ-RNJOBUHISA-N 318.381 -0.530 30 20 DBED N#Cc1cncc(NC[C@@H](NC(=O)Cn2nccn2)C2CC2)n1 1109912676 LTSJARGAEHAMJK-GFCCVEGCSA-N 312.337 -0.053 30 20 DBED N#Cc1ccc(NC2(CNC(=O)[C@H]3COCCO3)CC2)nn1 1110058274 CISFETBMFIQVGA-LLVKDONJSA-N 303.322 -0.176 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1nonc1C 1110198339 RXFCIAZWWRGHGK-WOPDTQHZSA-N 317.349 -0.537 30 20 DBED CNC(=O)NCC(=O)N[C@@]1(C)CCN(c2nccnc2C#N)C1 1110822291 HBJQMGUIMVALOC-AWEZNQCLSA-N 317.353 -0.638 30 20 DBED C=CCOCC(=O)N[C@]12CCC[C@H]1CN(CC(=O)NC(N)=O)C2 1111658879 SYBULZWUZURMEC-NHYWBVRUSA-N 324.381 -0.645 30 20 DBED COCC#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCNC2=O)C1 1111829880 YKFPQHPQWMGOHE-ZQIUZPCESA-N 319.405 -0.257 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)c2coc(C)n2)CC1 1112788053 RQRSQXAGHJOXAV-NSHDSACASA-N 304.350 -0.121 30 20 DBED COC[C@@H](C)OC[C@@H](O)CN1CCN(C(=O)C#CC2CC2)CC1 1112824936 LVWWQCUJWDTEMT-ZBFHGGJFSA-N 324.421 -0.044 30 20 DBED CNC(=O)C1(C(=O)NC[C@@H](C)N(C)c2ccc(C#N)nn2)CC1 1113660860 UMRFPNULKAYJKF-SNVBAGLBSA-N 316.365 -0.185 30 20 DBED N#CCNC(=O)CN1C[C@H]2C(NC(=O)c3ncccc3O)[C@@H]2C1 1114165005 ZLLBFQCQKBKUKR-NXEZZACHSA-N 315.333 -0.913 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)CC(=O)NCC3CC3)[C@@H]2C1 1115093840 JGSQGJIJRDEYGX-ZIAGYGMSSA-N 319.405 -0.401 30 20 DBED C#CCCCCNC(=O)C(=O)NC1CC(NS(C)(=O)=O)C1 1117270359 GXTFITWOJVYAIY-UHFFFAOYSA-N 315.395 -0.898 30 20 DBED C[C@H](CNC(=O)C(=O)N1CCC(CC#N)CC1)S(C)(=O)=O 1117389732 QOPRPFYUMOVUKF-SNVBAGLBSA-N 315.395 -0.312 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N1CCC[C@@H](n2ccnn2)C1 1118099683 NPOCDTBKOFOYFY-CQSZACIVSA-N 313.361 -0.073 30 20 DBED C[C@@H](CN(C)C(=O)[C@H]1C[C@H]1C(N)=O)N=c1cc[nH]cc1C#N 1120705296 AOJXNGOZOMUXKN-WCQGTBRESA-N 301.350 -0.245 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)CCn2ccnn2)nc1 1121364913 HHRIHQTVUSKJQN-LBPRGKRZSA-N 315.337 -0.476 30 20 DBED CC(C)[C@@H](C(=O)NC[C@H](CO)Nc1cnc(C#N)cn1)N(C)C 1121838225 GKOIZPGTACNVJV-OCCSQVGLSA-N 320.397 -0.177 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H](CO)Nc1ncnc2[nH]cnc12 1122035932 JYBOWJUKSCKOEF-VHSXEESVSA-N 318.337 -0.720 30 20 DBED C[C@@H]1[C@H](N=c2cc[nH]c(C#N)n2)CCN1C(=O)CCNC(N)=O 1123011911 FSQPTZWIXMZFSG-NXEZZACHSA-N 317.353 -0.770 30 20 DBED C#CCC[C@H](O)CNC(=O)NCCN1CCC2(C1)OCCO2 1123707175 DFUNYCWMCYYABQ-ZDUSSCGKSA-N 311.382 -0.491 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]cc1C#N)C(=O)Cc1ccon1 1124201111 RVMRPTHLQMSCCH-ZDUSSCGKSA-N 315.333 -0.163 30 20 DBED Cc1cc(N(C)C[C@H](O)CN(C)C(=O)[C@H](C)C#N)nc(CO)n1 1124989432 WHGRYOYQDURDFH-PWSUYJOCSA-N 321.381 -0.308 30 20 DBED C#CCNC(=O)CC(=O)NCCNCc1nc(CC(C)C)no1 1125978096 LJZUTWJQSOZANE-UHFFFAOYSA-N 321.381 -0.387 30 20 DBED C#CCO[C@@H](C)C(=O)NCCNCc1nc(CCOC)no1 1127039107 BZQLVCZDOKJCCR-NSHDSACASA-N 310.354 -0.497 30 20 DBED N#CCNC(=O)CNCCNC(=O)[C@H]1CCCc2n[nH]cc21 1127327724 VEAWFHNVVZIHQC-JTQLQIEISA-N 304.354 -0.825 30 20 DBED C#CCCN1CCn2ncc(CNC(=O)Cn3ncnn3)c2C1 1128366369 BCUSQONLOWYSFP-UHFFFAOYSA-N 314.353 -0.975 30 20 DBED COCC#CCN1CCOC[C@@H]1c1n[nH]c(CNC(C)=O)n1 1130820599 ZQNKCBVNBCNANY-GFCCVEGCSA-N 307.354 -0.536 30 20 DBED CCO[C@H](C(=O)NCCNCC(=O)NCC#N)C1CCCC1 1131894009 XEZPVAVPWRZVJA-AWEZNQCLSA-N 310.398 -0.073 30 20 DBED CC(C)N(C)CC(=O)N[C@H]1CC[C@@H](C)N(CC(=O)NCC#N)C1 1132522219 MXLZBLHVSUBVAZ-KGLIPLIRSA-N 323.441 -0.065 30 20 DBED C=CCCn1cc(C(=O)NCCN[C@H]2CCCNC2=O)nn1 1135075265 CZHDNCOSJDANHC-NSHDSACASA-N 306.370 -0.548 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)CC(=O)N(C)C 1135636387 TZTWQTSPROAXTL-RYUDHWBXSA-N 310.398 -0.913 30 20 DBED C#CCCN[C@@H](C)C[C@H](C)NC(=O)CNC(=O)Cn1cncn1 1146560708 CRKYDIQIZAOEIN-STQMWFEESA-N 320.397 -0.710 30 20 DBED C=CCOCCNCCNC(=O)C[C@]1(C)CCS(=O)(=O)N1 1149103618 JMYCXPBOCJTXEM-ZDUSSCGKSA-N 319.427 -0.633 30 20 DBED CNC(=O)c1cccc(C(=O)NCCNCC(=O)NCC#N)c1 1151621592 NPJASYMQDMMEMO-UHFFFAOYSA-N 317.349 -0.995 30 20 DBED CN(CC#N)C[C@H]1CCCCN1C(=O)CN1CCNC(=O)C1 1158316242 FGPXQVQTDBOULW-CYBMUJFWSA-N 307.398 -0.745 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)CCc1ccncn1 1159059709 UBEKEWRLYSYYGX-CYBMUJFWSA-N 317.393 -0.357 30 20 DBED C#CCC1(C(=O)NCCCNCCN2C(=O)CNC2=O)CCC1 1159657472 CASBJQXZDREHME-UHFFFAOYSA-N 320.393 -0.172 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)[C@H](C(C)C)N(C)C 1160426501 GKOFUCZMTBNOCR-KGLIPLIRSA-N 310.442 -0.194 30 20 DBED C[C@@H](CCCCNCC#N)NC(=O)CCCS(N)(=O)=O 1174978379 MCLBULSNRLYLPC-NSHDSACASA-N 304.416 -0.157 30 20 DBED C[C@H](CCCCNCC(=O)NCC#N)NC(=O)c1ccn(C)n1 1176564334 OERGXPGMWHDXPT-GFCCVEGCSA-N 320.397 -0.062 30 20 DBED C=CCCOCC(=O)NCCCN[C@@H](C)C(=O)NC(=O)NC 1177260752 UXXGYQIOWHKWOA-NSHDSACASA-N 314.386 -0.481 30 20 DBED C=CCO[C@H](C)C(=O)NCCCNCCN1C(=O)CNC1=O 1177278003 ZMEUBNYPWLJMHG-LLVKDONJSA-N 312.370 -0.775 30 20 DBED C#CCO[C@@H](C)C(=O)NCCCCCCNCC(=O)NCC#N 1178458641 PQGQKBJMFLDYPD-AWEZNQCLSA-N 322.409 -0.069 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)Cn2ccnc2)[C@H]1C 1180279365 FDOTVSZLVQZMKP-STQMWFEESA-N 303.366 -0.789 30 20 DBED COCC#CCN[C@H]1CCN(C(=O)CCc2cn(C)nn2)[C@H]1C 1180299220 MQKOTPHRBOICRV-ZFWWWQNUSA-N 319.409 -0.024 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)C[C@H]2CCC(=O)NC2)C1 1183214225 PAPBYTBRTUPOLB-CHWSQXEVSA-N 322.409 -0.605 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)[C@@H](C)CS(C)(=O)=O)C1 1188195170 FVLLIMCNORCJRG-QWHCGFSZSA-N 316.423 -0.493 30 20 DBED COCC#CCN1C[C@@H]2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)[C@@H]2C1 1189135347 KZSYHWSOVZEAMI-RFQIPJPRSA-N 305.378 -0.710 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@@H](N(C)CCS(C)(=O)=O)C1 1190094534 LLNZCZFIGKUTLK-QWHCGFSZSA-N 316.423 -0.398 30 20 DBED CN(C)[C@@H](C(=O)N1CC[C@@H](N(C)CC(=O)NCC#N)C1)C1CC1 1190655145 NTRNRHFECTUTHW-UKRRQHHQSA-N 321.425 -0.501 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)CN2CCC[C@@H]2C)C1 1192343230 NRJJKITWQQDZFC-LSDHHAIUSA-N 320.437 -0.247 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)Cn2nc(C)cc2C)C1 1194526546 GNDKYPNCMPLNSO-HUUCEWRRSA-N 322.409 -0.136 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)CCCC2CC2)C1 1195501198 IYZMIVALJZCUIV-ZIAGYGMSSA-N 307.394 -0.523 30 20 DBED C#CCNC(=O)[C@H](C)N1CCCN(C(=O)[C@@H](C)OCC#C)CC1 1195807867 YVGNKSDEDSXYON-LSDHHAIUSA-N 319.405 -0.303 30 20 DBED C=CCCO[C@H](C)C(=O)N1CCCO[C@H](CNCC(N)=O)C1 1200047564 DMZYZMPMFMLSLT-CHWSQXEVSA-N 313.398 -0.340 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)c2cnc(O)n2C)CCCO1 1201146391 FYIPQGFQHXBSMS-GFCCVEGCSA-N 306.366 -0.030 30 20 DBED C=CCNC[C@@H]1CN(C(=O)C2CC(=O)NC(=O)C2)CCCO1 1201621430 LAAANCIHRSXYMM-GFCCVEGCSA-N 309.366 -0.568 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)c2[nH]nnc2C)CC1 1201925390 KRMKYOMKBOLEPO-UHFFFAOYSA-N 306.370 -0.390 30 20 DBED C=CCOCC(=O)N[C@H]1C[C@@H](NCc2nnnn2C)C12CCC2 1202632944 HLLYXKAWXORFJV-NEPJUHHUSA-N 320.397 -0.070 30 20 DBED C#CCNC(=O)[C@H](C)NC1CCN(C(=O)c2ccnnc2)CC1 1202644209 UHUXLVZKPSNNIW-LBPRGKRZSA-N 315.377 -0.191 30 20 DBED C[C@@H]1CN([C@@H]2CCCNC2=O)C[C@H]1NC(=O)CSCC#N 1206089755 FWYOBYAZKZFZGD-IJLUTSLNSA-N 310.423 -0.042 30 20 DBED N#CCNC(=O)CN[C@H]1CCCN(C(=O)c2cccc(O)n2)C1 1207741831 PZFOXXRITHFERL-NSHDSACASA-N 317.349 -0.379 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@H](C)n2cncn2)C1 1207830383 ZVKUKYSAWWAXQU-QWHCGFSZSA-N 318.381 -0.831 30 20 DBED COCC#CCN[C@@H]1CCCN(C(=O)Cc2n[nH]c(C)n2)C1 1208002415 TUCLOOOWQWOVOW-CYBMUJFWSA-N 305.382 -0.114 30 20 DBED CCc1nc[nH]c1C(=O)N1CCC[C@@H](NCC(=O)NCC#N)C1 1210904967 FQSZJANFVCLYAF-LLVKDONJSA-N 318.381 -0.194 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](NC[C@H]2CCCOC2)[C@H](C)C1 1214472325 MGNBSWYRDJWLSY-RBSFLKMASA-N 321.421 -0.011 30 20 DBED C=CCOCCN[C@@H]1CN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C[C@H]1C 1215693648 ZXEQBVWEAHUCNU-GRYCIOLGSA-N 324.381 -0.776 30 20 DBED COC[C@H](C)CC(=O)N1C[C@@H](NCC(=O)NCC#N)[C@H](C)C1 1216137594 YFISZUKEEHDQEC-JHJVBQTASA-N 310.398 -0.265 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)CCCOCC)C1 1219255412 YQHSKZCTQVXCKK-OLZOCXBDSA-N 313.398 -0.733 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 1219989130 KKLDYMCYUQUQSZ-SYQHCUMBSA-N 321.421 -0.421 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)c2cn(C)nc2OC)C1 1220119684 RPGUMJLGKYIVIR-OLZOCXBDSA-N 324.381 -0.594 30 20 DBED CC#CCCCC(=O)N[C@@H]1CN(CCS(C)(=O)=O)C[C@@H]1O 1220184778 RFYBIJUTQIEJEV-OLZOCXBDSA-N 316.423 -0.614 30 20 DBED C=C[C@@](C)(CC)C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@@H]1O 1220292452 YDRUWZNDPUPABQ-XUJVJEKNSA-N 308.382 -0.610 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)c2cc(C3CC3)[nH]n2)C1 1220401573 GMSMWLVAMXHTNN-CABCVRRESA-N 318.377 -0.288 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)CC[C@H](C)CC)C1 1220596101 LGSIFZZOBTWVNV-MCIONIFRSA-N 309.410 -0.277 30 20 DBED C=CCOCCN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CNC(=O)N1 1228262308 SHFKISSXEOHICU-JHJVBQTASA-N 310.398 -0.113 30 20 DBED N#CCN[C@@H]1CCCC[C@H]1NC(=O)CCCS(N)(=O)=O 1228277541 GBPXQNUCUZHYFX-GHMZBOCLSA-N 302.400 -0.404 30 20 DBED C#CCN1CCS(=O)(=O)[C@H](CCNC(=O)[C@H]2CCOC2)C1 1230467754 WJLHSDBJWWPKMX-QWHCGFSZSA-N 314.407 -0.739 30 20 DBED COCC(=O)N1CCC([C@@H]2CCCN2CC(=O)NCC#N)CC1 1230479695 QRAAJCZMRZDQBP-AWEZNQCLSA-N 322.409 -0.024 30 20 DBED CN(CCCNC(=O)CSCC#N)[C@@H]1CCC(=O)NC1=O 1234155057 UPZYENZEVFKFHZ-SNVBAGLBSA-N 312.395 -0.514 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C[C@H]1CCN1CC(=O)NC1CC1 1234225585 OFQWKMVVRFISDZ-GXTWGEPZSA-N 307.394 -0.164 30 20 DBED C#CCOCCC(=O)N(C)C[C@H]1CCN1[C@H]1CCC(=O)NC1=O 1234246854 UAVPPIUNULAIOF-OLZOCXBDSA-N 321.377 -0.636 30 20 DBED CO[C@@H](C)CS(=O)(=O)NCCN/C(O)=C1\N=CC=CC1=O 1256167612 JVEYCIWWUOIUPK-QZOQKNACSA-N 317.367 -0.533 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N1CCC2(CCN(C)C2=O)CC1 1261154024 BMRYQVNESZTEHA-LBPRGKRZSA-N 323.393 -0.226 30 20 DBED C#C[C@@H](NC(=O)C(=O)NCCCNC(=O)C(C)C)[C@H]1CCCO1 1261154045 CANPPBRHYVMZLV-CHWSQXEVSA-N 323.393 -0.438 30 20 DBED C[C@H](CC#N)NS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 1318737899 ZIVRGTHPWAARQS-SSDOTTSWSA-N 308.319 -0.203 30 20 DBED C=C[C@H](COC)NC(=O)N1CCCN(S(C)(=O)=O)CC1 1320294275 KBCBZWVWIFAFND-LLVKDONJSA-N 305.400 -0.136 30 20 DBED C[C@H](CN1CCOCC1)NC(=O)C(=O)N1CCC(CC#N)CC1 1321508870 NBOLXKOETMAIBK-CYBMUJFWSA-N 322.409 -0.024 30 20 DBED CCOC(=O)Cn1cnc(NC(=O)C(=O)N(C)C[C@@H](C)C#N)n1 1325948667 OYBFLDHKZQDNJH-VIFPVBQESA-N 322.325 -0.602 30 20 DBED N#CCOc1cccc(CNC(=O)C(=O)N[C@@H]2CCNC2)c1 1328970383 CRYKEJVUANTNAL-GFCCVEGCSA-N 302.334 -0.317 30 20 DBED COCc1nc2n(n1)C[C@@H](NS(=O)(=O)CCCC#N)CC2 1332313447 ZTOGLTGLDJMMAA-JTQLQIEISA-N 313.383 -0.038 30 20 DBED C#CCN(C(=O)C(=O)NC[C@@H]1CC[C@@H](C(=O)N(C)C)O1)C(C)C 1333100290 OTGBXVDHSAUYHV-STQMWFEESA-N 323.393 -0.391 30 20 DBED C#CCOCCn1nnnc1N1CC[C@H](C(=O)N2CCCC2)C1 1334942726 GYCDWWMJJWNVRZ-ZDUSSCGKSA-N 318.381 -0.228 30 20 DBED C#CCNC(=O)CN1CCN(c2nnnn2C(C)(C)C)CC1 1335389870 QOJQTCFBBIKHFX-UHFFFAOYSA-N 305.386 -0.701 30 20 DBED C[C@H](N)[C@@H]1CCN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1 1348715434 WTLFTTKHUKCDQU-OUCADQQQSA-N 319.409 -0.619 30 20 DBED O=C(NCC#Cc1ccccc1)C(=O)NC[C@@H]1COCCN1 1351550445 CVDJXHXRMILHPI-CQSZACIVSA-N 301.346 -0.741 30 20 DBED C#CCN1CCN(C(=O)CNS(=O)(=O)c2ccccc2)CC1 1352242707 IDJJAYGTWQAFMP-UHFFFAOYSA-N 321.402 -0.258 30 20 DBED CS(=O)(=O)NC(=O)CCNC(=O)c1ccc(C#N)cc1F 1362334001 LUHBYRGFCZLJIR-UHFFFAOYSA-N 313.310 -0.107 30 20 DBED N#Cc1cn(CC(=O)NCc2ccc(F)cn2)c(=O)nc1O 1362439710 GOLIRLPWGILBKF-UHFFFAOYSA-N 303.253 -0.329 30 20 DBED N#Cc1cn(CCNC(=O)COC[C@H]2CCCO2)c(=O)nc1O 1363484757 UADRUDOVIDGRLM-LLVKDONJSA-N 322.321 -0.868 30 20 DBED N#Cc1ccc(NC(=O)N(CCO)[C@H]2CCS(=O)(=O)C2)nc1 1364154335 MNVPIEILEQCOPC-NSHDSACASA-N 324.362 -0.033 30 20 DBED COC(=O)C1(C#N)CCN(C(=O)NCCC(=O)N(C)C)CC1 1367480957 ICGRXYIEKSEJSL-UHFFFAOYSA-N 310.354 -0.047 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](NC(=O)CCN2CCOCC2)C1 1372037254 OWPPAYCKIUETHX-CHWSQXEVSA-N 308.382 -0.415 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](CNC(=O)CCn1cnnn1)C1CC1 1385773739 RUVCPHHOQCOMTM-GXSJLCMTSA-N 305.342 -0.766 30 20 DBED Cc1cc(C(=O)N[C@H](C)CNC(=O)[C@@H](C)C#N)ncc1C(N)=O 1387085763 MBFAZJNVCDYFSS-VHSXEESVSA-N 317.349 -0.117 30 20 DBED C[C@H](C#N)C(=O)N(CCNC(=O)c1cc(C(N)=O)c[nH]1)C1CC1 1388677889 SKFIXVGULJOXST-SECBINFHSA-N 317.349 -0.006 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)C12CCCN1CCC2 1389123572 LYOVATCFMCTVOO-NWDGAFQWSA-N 308.382 -0.632 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](C)NC(=O)CS(=O)(=O)C(C)(C)C 1392492548 JQLOASGKUMPCOM-VHSXEESVSA-N 317.411 -0.020 30 20 DBED CC(C)[C@H](CNC(=O)CCn1cnnn1)NC(=O)[C@@H](C)C#N 1399627856 WUEQASYQCPIKNS-QWRGUYRKSA-N 307.358 -0.520 30 20 DBED Cc1c(CC(=O)N(C)C[C@H](O)CNC(=O)[C@H](C)C#N)cnn1C 1405615272 PWQXLGLQQNUCRD-ZWNOBZJWSA-N 321.381 -0.634 30 20 DBED C[C@H](C#N)C(=O)N[C@H](CNC(=O)c1nccnc1N)C1CC1 1407601465 NARGTEIPTJRQJN-PSASIEDQSA-N 302.338 -0.157 30 20 DBED CNC(=O)NCCC(=O)N1[C@H]2CC[C@H]1CN(C(=O)[C@H](C)C#N)C2 1407724113 JFKVFJHXKPEACM-WOPDTQHZSA-N 321.381 -0.333 30 20 DBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[C@@H]1CO 1413663464 HVEZQCXTSJQHES-CMPLNLGQSA-N 323.374 -0.182 30 20 DBED CC(CO)(CO)CNS(=O)(=O)c1ccc(C#N)cc1F 1414275257 UZXVYKJTMLRREH-UHFFFAOYSA-N 302.327 -0.033 30 20 DBED C[C@H](CC(N)=O)C(=O)N1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 1414560919 VXEQKUMZIMZUJE-MWLCHTKSSA-N 317.349 -0.271 30 20 DBED COC(=O)C1(C#N)CCN(C(=O)NC[C@H]2CNC(=O)C2)CC1 1414672319 ZEYRUCVBIKPKCE-SNVBAGLBSA-N 308.338 -0.389 30 20 DBED C[C@H](C#N)C(=O)NCCN1CCN(Cc2cnn(C)c2)CC1 1441048314 XUXNFDUQQHASDB-CYBMUJFWSA-N 304.398 -0.186 30 20 DBED CCOc1cc(C(=O)N(C)C[C@H](O)CNC(=O)[C@@H](C)C#N)[nH]n1 1488374044 YYWNDPJPGDMRQH-VHSXEESVSA-N 323.353 -0.483 30 20 DBED C[C@@H](C#N)C(=O)N(C)C1CCN(C(=O)C2(NC(N)=O)CC2)CC1 1510126984 GQWCLIDRMQKBLO-JTQLQIEISA-N 321.381 -0.204 30 20 DBED C=C(CCC(=O)O)C(=O)N[C@H]1CN(C(=O)OCC)C[C@H]1CO 1573333151 WGTNPRVYEUPTBW-QWRGUYRKSA-N 314.338 -0.027 30 20 DBED C=CC[C@@H](NC(=O)CCNC(=O)[C@H]1CCCN1)C(=O)OCC 1574889098 KXQYHAPLDIFGRV-VXGBXAGGSA-N 311.382 -0.131 30 20 DBED C=CCS(=O)(=O)CCNC[C@@H]1CCCN(C(=O)CN)C1 1574948191 XBAQLRHOQOSXJV-LBPRGKRZSA-N 303.428 -0.626 30 20 DBED C=CCCC(=O)N(C)C1CN([C@@H](C)C(=O)NCc2cnn[nH]2)C1 1575085722 MEEXYHCWARDVHS-NSHDSACASA-N 320.397 -0.082 30 20 DBED COC(=O)C1(C#N)CCN(C(=O)[C@H]2NCc3n[nH]cc32)CC1 1578777319 JZYDVSHGQVGUCY-NSHDSACASA-N 303.322 -0.141 30 20 DBED Cn1cc([C@H]2CN(C(=O)C#CC3CCNCC3)CCN2)cn1 1579958413 BFQQMECFUKBLQI-OAHLLOKOSA-N 301.394 -0.104 30 20 DBED C#CCN(CC(=O)O)C(=O)[C@H]1COCCN1CC(F)(F)F 1588399104 GPNALYACQMQZHL-SECBINFHSA-N 308.256 -0.204 30 20 DBED C#CC[C@@H](NS(=O)(=O)c1cnn(CC(F)F)c1)C(=O)O 1588428623 VKRUJYOLUZPVSH-MRVPVSSYSA-N 307.278 -0.097 30 20 DBED C#CCCCNC(=O)C(=O)N1CC[C@@H](n2cc(C(=O)O)nn2)C1 1588446414 KVNGJVXLZOELEN-SNVBAGLBSA-N 319.321 -0.721 30 20 DBED C=CCNC(=O)CNc1ccc(C(=O)OC)nc1-c1nn[nH]n1 1588658238 CYGBNFCZLCKOMK-UHFFFAOYSA-N 317.309 -0.238 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(CCN1CCOCC1)CC(=O)O 1588916732 BHLGZNXBJPEVID-OLZOCXBDSA-N 312.366 -0.177 30 20 DBED C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N(CC#N)CCC(=O)O 1589356099 FJVJYRJKQPJSKR-GHMZBOCLSA-N 310.354 -0.601 30 20 DBED CSCCNC(=S)NN=C(C)c1cn(CC(=O)O)nn1 1599801183 RRCGGZJIZVOOCV-UHFFFAOYSA-N 316.412 -0.086 30 20 DBED C#CCN(CC(=O)O)C(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O 1602682910 WMAZRLKYXDCKDE-PHIMTYICSA-N 306.318 -0.292 30 20 DBED C=C(C)COCCn1nnnc1N1C[C@@H](C(=O)O)O[C@H](C)C1 1602764510 ALJMCDVZKHGLOY-MNOVXSKESA-N 311.342 -0.056 30 20 DBED CC#CC[C@H](CO)NC(=O)C(=O)Nc1cc(C)[nH]c1C(=O)O 1602944995 BCWMXDWUTTYLKM-SECBINFHSA-N 307.306 -0.150 30 20 DBED COCCN1C(=O)C[C@@H](N2CCC(C#N)(C(=O)O)CC2)C1=O 1606893265 JVVPONCKUNMKEC-SNVBAGLBSA-N 309.322 -0.549 30 20 DBED CS(=O)(=O)N1CCC[C@H](C(=O)N(CC#N)CCC(=O)O)C1 1607371685 BODRMBIZVOULAD-JTQLQIEISA-N 317.367 -0.515 30 20 DBED C=CCn1cc(C(=O)NCCCN(C)[C@@H]2CCCNC2=O)nn1 1752078388 STDLRWKFFYROQX-CYBMUJFWSA-N 320.397 -0.206 30 20 DBED C#CCNC(=O)CN(C)CCN(C)C(=O)CC1CCOCC1 1753849804 LIMSWQGNRYZHCE-UHFFFAOYSA-N 309.410 -0.057 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@@H](C)NC(=O)c1cc(C)nnc1C 1754227936 UOOIXHJMUCAOPY-YPMHNXCESA-N 317.393 -0.061 30 20 DBED C=CCNC(=O)CNC[C@H](C)NC(=O)c1ccn2nnnc2c1 1754278114 MEGWRKKUIJYQFD-JTQLQIEISA-N 317.353 -0.866 30 20 DBED C=CCn1cc(C(=O)N[C@@H](C)CN(C)[C@H](CC)C(N)=O)nn1 1754326241 FZUAFULFMRQCAT-CMPLNLGQSA-N 308.386 -0.222 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CNC(=O)Cn1cc(C)cn1 1754474652 CUNVHTBZONYLFH-ZDUSSCGKSA-N 303.366 -0.869 30 20 DBED C#CCN1CC[C@@](O)(CNC(=O)c2ccc3c(c2)nnn3C)C1 1754753026 WANSQYZKYBYKNK-MRXNPFEDSA-N 313.361 -0.232 30 20 DBED C#CCNC[C@H]1CN(C(=O)c2cn(CCOC)nn2)C[C@@H]1C 1754815795 XRSQATUIXFVCBT-STQMWFEESA-N 305.382 -0.145 30 20 DBED COCC#CCN[C@H]1CN(C(=O)C(C)(C)NC(C)=O)C[C@H]1C 1755117356 DWGWSBBXACJGRY-OCCSQVGLSA-N 309.410 -0.013 30 20 DBED Cc1noc(CCC(=O)N[C@@H](C)[C@H](C)NCC(=O)NCC#N)n1 1755246329 NRFPVHDYVXABDE-UWVGGRQHSA-N 322.369 -0.567 30 20 DBED C=C1CC(C)(C(=O)NC[C@@H](CO)NCCCS(C)(=O)=O)C1 1755638058 MTLZUWWEBSIVHZ-LBPRGKRZSA-N 318.439 -0.156 30 20 DBED COCC#CCN[C@@H](CO)CNC(=O)[C@@H]1CCc2n[nH]cc2C1 1755643158 FZOCYRZNAIFZKH-TZMCWYRMSA-N 320.393 -0.769 30 20 DBED C=C(C)CCN[C@H](CO)CNC(=O)c1cn(C)c(=O)nc1O 1755646225 LNSJGSRIPJOKDG-JTQLQIEISA-N 310.354 -0.868 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@@H](C)N(C(=O)Cc2ccn(C)n2)C1 1755678901 PZDNFTJTWJSVGL-OCCSQVGLSA-N 317.393 -0.709 30 20 DBED CNS(=O)(=O)CCC(=O)N[C@]12CCC[C@H]1N(CC#N)CC2 1755703136 VAZSDESMTOZNHV-YPMHNXCESA-N 314.411 -0.438 30 20 DBED C#CCN(C)C[C@H](O)CN(C)C(=O)[C@H](OC)c1cnn(C)c1 1755802355 CMHMWBVSSHQBLR-UONOGXRCSA-N 308.382 -0.508 30 20 DBED C#CCNC(=O)CNC1CC(N(C)C(=O)c2cnn(C)c2)C1 1755849344 IHLMCCMMIPOBGJ-UHFFFAOYSA-N 303.366 -0.638 30 20 DBED CC(C)C#CC(=O)N[C@H](CO)CNC(=O)CCCn1cncn1 1756573041 ZWVSHTVOYMNXRD-ZDUSSCGKSA-N 321.381 -0.689 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1CN(C(=O)[C@H]2CCC(=O)NC2)C[C@H]1O 1757022207 NFTFKOLUDOZGBZ-QJPTWQEYSA-N 323.393 -0.587 30 20 DBED COC(=O)c1cc(C#N)c(=O)n(CC(=O)c2cnnn2C)c1 1771693202 FEGIEMQVOQKZIY-UHFFFAOYSA-N 301.262 -0.482 30 20 DBED C=CCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)NC=O)C2)C1 1781254841 MIVUVBPEUBLUFE-WFASDCNBSA-N 309.366 -0.473 30 20 DBED C#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)O)C[C@@H]21 1792175527 ZYPJRFXJUHNOBJ-RFGFWPKPSA-N 308.378 -0.240 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCC=CO1)C2 1800453407 IXTNPJSAMHMFCY-QVHKTLOISA-N 304.346 -0.098 30 20 DBED C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCNC(=O)C1 1802447054 ILBJWYYONHKKHR-FVCCEPFGSA-N 303.362 -0.216 30 20 DBED C#CCCC(=O)N1CCC2(CCCN(C(=O)[C@@H](N)CN)C2)CC1 1810864268 BAXZAAJUXSMAES-AWEZNQCLSA-N 320.437 -0.083 30 20 DBED CN(C)C(=O)N1CCN(S(=O)(=O)CC2(C#N)CC2)CC1 164611592 UOQIDLBRUKXWDP-UHFFFAOYSA-N 300.384 -0.081 30 20 DBED C=CCNC(=O)CNC(=O)NCCc1cccc(C(N)=O)c1 180569591 KRCRBHUMZURXFW-UHFFFAOYSA-N 304.350 -0.071 30 20 DBED N#Cc1ncccc1S(=O)(=O)N1CCN2C(=O)CC[C@@H]2C1 236410825 JXXZEOAYJFYJLX-SNVBAGLBSA-N 306.347 -0.051 30 20 DBED CC(=O)NC[C@H]1CN(CC(=O)N[C@](C)(C#N)C2CC2)CCO1 246744056 RCIIAUZHEGANRG-DZGCQCFKSA-N 308.382 -0.368 30 20 DBED C#CCN/C(=N\CC)NCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 261661929 BBEAVHVSBKFGPL-IGQOVBAYSA-N 314.389 -0.018 30 20 DBED N#Cc1nc(N2CCN(S(N)(=O)=O)CC2)ccc1Cl 266103827 QWHPCKUYXHDHQP-UHFFFAOYSA-N 301.759 -0.068 30 20 DBED N#Cc1cc(F)ccc1S(=O)(=O)NCC[C@H](O)C(=O)O 274904523 JALNZXVDKHIHCH-VIFPVBQESA-N 302.283 -0.189 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)[C@H](C)N2CCN(C)CC2)C1=O 281821002 VPXFSQFFQRPQDO-KBPBESRZSA-N 308.426 -0.132 30 20 DBED COC(=O)C[C@H](NS(=O)(=O)c1cncc(C#N)c1)C(=O)O 290756595 YVBJNUILUPONDV-VIFPVBQESA-N 313.291 -0.752 30 20 DBED N#Cc1ccc(S(=O)(=O)N[C@H](Cc2c[nH]cn2)C(=O)O)cn1 318317174 PCTKWXZLNPLCMN-LLVKDONJSA-N 321.318 -0.349 30 20 DBED CN1CCOC[C@H]1C(=O)N1CCN(C/C(O)=N/C2CC2)CC1 328954454 MWVIYASMWPZIIW-ZDUSSCGKSA-N 310.398 -0.420 30 20 DBED CS(=O)(=O)N1CCN(C/C(O)=N/C[C@@H](O)C2CC2)CC1 329957293 PIOKBUXIJPMODL-LLVKDONJSA-N 305.400 -0.709 30 20 DBED Cn1nnc(C/N=C(/O)N2CCN(C[C@H]3CCOC3)CC2)n1 330229808 QHMVWJGGHPROSL-LLVKDONJSA-N 309.374 -0.722 30 20 DBED CCN(CCC/N=C(/O)N1CCNC(=O)[C@H]1C)S(C)(=O)=O 330649249 KWSVMYULHJSZRR-SNVBAGLBSA-N 320.415 -0.608 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N(C)[C@H](C)CS(C)(=O)=O 332509212 WUQOETPZTHRKSF-NXEZZACHSA-N 311.429 -0.312 30 20 DBED Cn1c(=O)c2ccn(CC(=O)NCCCC#N)c2n(C)c1=O 342662939 SEXPHHXADKGAKF-UHFFFAOYSA-N 303.322 -0.541 30 20 DBED CC[C@](C)(C#N)C(=O)N1CCC[C@@H](CNS(N)(=O)=O)C1 349802928 LYKIQWZZOSCRKG-CMPLNLGQSA-N 302.400 -0.042 30 20 DBED CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)N(C)CCC#N 355224896 DTMINOYKQVDOFU-JTQLQIEISA-N 309.413 -0.414 30 20 DBED Cn1ncc(C(=O)NCCCN2CCC[C@@H](C(N)=O)C2)c1C#N 355542245 DWKRMYRUMXMRCK-LLVKDONJSA-N 318.381 -0.391 30 20 DBED C=CCOC[C@H](NC(=O)[C@H]1CC[C@H](C(=O)OC)O1)C(=O)OC 356338889 JUDDWYXLZDZKPE-HBNTYKKESA-N 315.322 -0.433 30 20 DBED N#Cc1ccc(S(=O)(=O)NCCn2cc(C(=O)O)nn2)cc1 388307657 WLXOSDLSQXLPRP-UHFFFAOYSA-N 321.318 -0.174 30 20 DBED CNC(=O)[C@H]1CCCCN1S(=O)(=O)N(C)C[C@H](C)C#N 407952432 HHBAMQUZMNEEQI-GHMZBOCLSA-N 302.400 -0.077 30 20 DBED C#CCNC(=O)C1CCN(C(=O)N[C@H]2CCCN(C)C2=O)CC1 491105921 WTVJMTAMFGGIHP-ZDUSSCGKSA-N 320.393 -0.222 30 20 DBED C#CCNC(=O)CN1CCN(Cc2nnc3n2CCCC3)CC1 491125778 GXQZEAOUMDBWEU-UHFFFAOYSA-N 316.409 -0.519 30 20 DBED COC(=O)N1CCN(C(=O)C(=O)Nc2cccc(C#N)n2)CC1 497010435 XNERFXYQHFGMBP-UHFFFAOYSA-N 317.305 -0.198 30 20 DBED N#CCC1(CS(=O)(=O)N2CC[S@](=O)C[C@@H]2C(=O)O)CC1 578327173 SQSHYDVOGZZAKB-HOGDKLEQSA-N 320.392 -0.472 30 20 DBED CC1(C)C[C@@]1(C#N)NC(=O)c1nc(N)nc(N2CCOCC2)n1 579364007 PESLGTHBDVRDJL-AWEZNQCLSA-N 317.353 -0.288 30 20 DBED CCC1(O)CN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1 580938670 IVKDXHWXTPCYGC-UHFFFAOYSA-N 323.374 -0.180 30 20 DBED C=CCn1cc(C(=O)N2CCN(C)C[C@@H](C(=O)OC)C2)nn1 592806756 UTGZDODFEYYBIP-LLVKDONJSA-N 307.354 -0.359 30 20 DBED N#Cc1nc(=N[C@@H]2CCCN(CCN3CCOCC3)C2)cc[nH]1 603424519 ZPGQZCWRPOVCIL-CQSZACIVSA-N 316.409 -0.021 30 20 DBED COC(=O)c1[nH]c(C)cc1NC(=O)C(=O)N1CCO[C@H](C#N)C1 612718307 SORLTIDRPRKFQU-SECBINFHSA-N 320.305 -0.201 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N1CCN(CCO)C(C)(C)C1 619713933 AJEZJESBQAMYRF-GFCCVEGCSA-N 318.443 -0.289 30 20 DBED C=C[C@H](CO)N[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 662166890 KRYCVKCFEWTLPM-NXEZZACHSA-N 313.379 -0.203 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@](C)(C(=O)O)C2CC2)C1=O 736106360 BAYSCMWWYWTMGX-AWEZNQCLSA-N 323.305 -0.667 30 20 DBED N#Cc1cccc(OCC(=O)N2CCN(C(=O)CO)CC2)c1 765270205 DJKWSYIEJFMBIH-UHFFFAOYSA-N 303.318 -0.400 30 20 DBED C#C[C@H](NC(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1)[C@@H]1CCCO1 776236111 XUXXGTDFYBSEIA-DCAQKATOSA-N 306.322 -0.887 30 20 DBED CN(C)c1cc(C#N)cc(C(=O)NS(=O)(=O)CC(N)=O)c1 816014224 RLQDITYCURTXBS-UHFFFAOYSA-N 310.335 -0.831 30 20 DBED C[C@](C#N)(CC(=O)O)C(=O)N[C@@H]1CCN(C2CCOCC2)C1=O 819820983 BVCLBXFVDGTEGY-IAQYHMDHSA-N 323.349 -0.113 30 20 DBED CN(C(=O)Cn1cnc(C#N)n1)c1cccc(-c2nn[nH]n2)c1 821572122 SCEIJWXJXCNCBH-UHFFFAOYSA-N 309.293 -0.007 30 20 DBED C#CCNC(=O)[C@H](C)N1[C@H]2CC[C@H]1[C@H](C(=O)O)[C@@H]2C(=O)OC 833365936 XYBJJAOERZALSR-UHFZAUJKSA-N 308.334 -0.539 30 20 DBED N#C[C@@H]1CNC[C@@H]1NC(=O)CCNC(=O)OCC(F)(F)F 834500779 WXUJHQLUZLJSGO-SFYZADRCSA-N 308.260 -0.107 30 20 DBED N#C[C@@H]1CNC[C@H]1NC(=O)[C@H]1COCCN1CC(F)(F)F 834506111 PVQVJSYSAAJEEB-OPRDCNLKSA-N 306.288 -0.523 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N1CC[C@@](C)(C(=O)NC)C1 850712878 VTEQSCPZIJHNEG-MRXNPFEDSA-N 323.393 -0.531 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCO[C@@H](COCC)C1)[C@@H]1CCCO1 875324695 MUFIKHUHKRGHCQ-RDBSUJKOSA-N 324.377 -0.453 30 20 DBED C[C@H](OC(=O)CSCC#N)C(=O)N1CCC[C@H](C(N)=O)C1 915386438 LWSFWPGBPNHVGY-UWVGGRQHSA-N 313.379 -0.101 30 20 DBED C[C@H](NS(=O)(=O)N(C)[C@H](C)CC#N)[C@H]1CN(C)CCN1C 919990970 SRXROGMXKXKPSB-FRRDWIJNSA-N 317.459 -0.311 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2CCN(C(=O)c3cnnn3C)C2)c1 942369725 WNDHDHNBWCYAKM-CYBMUJFWSA-N 324.344 -0.164 30 20 DBED CCN(C(=O)[C@@H]1CCNC1=O)[C@H]1CCN(C(=O)C#CC2CC2)C1 942901213 HTRQMRYDXMBQTQ-UONOGXRCSA-N 317.389 -0.015 30 20 DBED C#CCCN1CC[C@H](NC(=O)CN2CCC(=O)NC2=O)[C@H](C)C1 944034009 RWUSGQUYZOIVNQ-OLZOCXBDSA-N 320.393 -0.222 30 20 DBED Cn1cnn(CC(=O)N2CC[C@@H]3CN(CC#N)C[C@@H]3CC2)c1=O 946653827 IMHOQNVJBYKACQ-BETUJISGSA-N 318.381 -0.724 30 20 DBED C#CCN1CC[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)C[C@@H]1C 947925066 JMQACJUKYYZMHH-NWDGAFQWSA-N 306.366 -0.517 30 20 DBED Cn1nncc1C(=O)NC[C@H]1CCN1C(=O)c1c[nH]c(C#N)c1 949673153 RQRWRZRQQPUYPG-LLVKDONJSA-N 313.321 -0.341 30 20 DBED CN1C[C@@H](C(=O)NC[C@H]2CCN2C(=O)C#CC2CC2)CCC1=O 950444949 BCYJDALPYGTPRY-UONOGXRCSA-N 317.389 -0.015 30 20 DBED CN(C(=O)c1ccc(C#N)[nH]1)C1CN(C(=O)c2cnn(C)n2)C1 954079661 BQMWKTVQENJROC-UHFFFAOYSA-N 313.321 -0.389 30 20 DBED C[C@H](C#N)C(=O)N1CC(N(C)C(=O)c2ccc(=O)n(C)n2)C1 955372156 GRHQAIBOZVMBTO-SECBINFHSA-N 303.322 -0.777 30 20 DBED N#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cn(C3CCC3)nn2)C1 958073537 LWHODYKCYUWYCO-GXFFZTMASA-N 304.354 -0.451 30 20 DBED C=CCn1cccc1C(=O)NC[C@H]1CN(CC(=O)NC)C[C@@H]1O 958138960 JUPNRMBJORTSHB-JSGCOSHPSA-N 320.393 -0.557 30 20 DBED C#CCCN1C[C@H](O)[C@H](CNC(=O)c2cccc(C(N)=O)c2)C1 958191162 ULKPVKAEIOZFGI-CABCVRRESA-N 315.373 -0.169 30 20 DBED C=C1CCC(C(=O)NC[C@H]2CN(CC(=O)NC)C[C@@H]2O)CC1 958368895 DSPNOIDYPJYNRF-KBPBESRZSA-N 309.410 -0.112 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2cc(C)c(C(N)=O)cn2)C1 958409974 XTIIITIKBGLQBV-RISCZKNCSA-N 316.361 -0.855 30 20 DBED C=CCn1cc(C(=O)N(C)[C@H]2CN(C(=O)CC)C[C@@H]2O)nn1 958849131 DZELBEKFZVMYNK-RYUDHWBXSA-N 307.354 -0.482 30 20 DBED Cc1c(C(=O)N2C[C@@H]3CN(C(=O)[C@H](C)C#N)C[C@@H]3C2)nnn1C 961247201 NUHBDKYSYSICSV-JLLWLGSASA-N 316.365 -0.186 30 20 DBED C=CCCN1C[C@H]2[C@H](NC(=O)Cn3nc(C)n(C)c3=O)[C@H]2C1 962430277 LVQLCAILSIOGGD-IMRBUKKESA-N 305.382 -0.487 30 20 DBED C=C1CC(C)(C(=O)N2C[C@H](O)[C@H](NC(=O)c3cnnn3C)C2)C1 962625337 DMPZRRRJMPKZRP-PWSUYJOCSA-N 319.365 -0.527 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)c1nnn(C)n1 963534939 JMBOTNGEAWWQGH-GMTAPVOTSA-N 317.353 -0.425 30 20 DBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(CC)C1CN(C(=O)C(N)=O)C1 968003401 TUUVBVBEDLEUKD-STQMWFEESA-N 323.393 -0.098 30 20 DBED C[C@@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)[C@@H]1COCCO1)C2 969803796 CXIOIEJLXZYYGG-CYDGBPFRSA-N 307.350 -0.237 30 20 DBED C=C1CC(C)(C(=O)N2C[C@H](O)[C@H](NC(=O)Cc3ncc[nH]3)C2)C1 970097261 NUWJXMMWWRNNPK-NEPJUHHUSA-N 318.377 -0.004 30 20 DBED C#Cc1ccc(C(=O)N[C@H](C)C2CN([C@H](C)C(N)=O)C2)nc1 970763011 IJRCXCKOOFZBBL-GHMZBOCLSA-N 300.362 -0.013 30 20 DBED COc1c(O)nc(O)nc1C(=O)N1CC[C@H](N(C)CC#N)C1 972722088 VPMXIJKYTYRBBF-QMMMGPOBSA-N 307.310 -0.434 30 20 DBED C[C@H](C(=O)N[C@H]1[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]21)n1cncn1 976379395 NMLGEFIFPHLSEZ-PBOSXPJTSA-N 313.361 -0.175 30 20 DBED C=CCCN1C[C@H]2C(CNC(=O)c3cn(CC(N)=O)nn3)[C@@H]2C1 979080862 UKZAIFZFKGMPDW-RYUDHWBXSA-N 318.381 -0.753 30 20 DBED CN1C[C@H](C(=O)NC[C@H]2CCN(C(=O)C#CC3CC3)C2)CC1=O 982743145 VUWQZRZKJQALOG-ZIAGYGMSSA-N 317.389 -0.157 30 20 DBED C#CCN1C[C@@]2(C)CN(C(=O)CN3C(=O)CNC3=O)C[C@@]2(C)C1 982784932 RZCGKBJLUUYKNO-IYBDPMFKSA-N 318.377 -0.658 30 20 DBED CC[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)C(N)=O 984743837 UTUMOBQKHRWJEL-GXSJLCMTSA-N 303.322 -0.519 30 20 DBED C[C@H](C(=O)NC1CN(C(=O)c2c[nH]c(C#N)c2)C1)n1cncn1 990915013 LIYLTCZWTDTUQK-SECBINFHSA-N 313.321 -0.320 30 20 DBED Cn1cncc1CC(=O)N1CC(NC(=O)c2c[nH]c(C#N)c2)C1 990930565 IPBCIOBXUNSEAA-UHFFFAOYSA-N 312.333 -0.197 30 20 DBED C#CCCN1CCC[C@H](NC(=O)CN2CCN(C)C(=O)C2)[C@@H]1C 993527058 YCWNJMBBXOXDMR-GJZGRUSLSA-N 320.437 -0.247 30 20 DBED Cc1nonc1C(=O)NCc1cn([C@@H]2CCN(CC#N)C2)nn1 1000041533 FUZRRRSIGHPCMN-LLVKDONJSA-N 316.325 -0.330 30 20 DBED Cn1c(O)ncc(C(=O)NCC2=CCN(CC#N)CC2)c1=O 1001034521 BXUYWNSPBSXMML-UHFFFAOYSA-N 303.322 -0.629 30 20 DBED C#CCN1CC=C(CNC(=O)c2cn(C)c(=O)n(C)c2=O)CC1 1001218639 IGUGPMBPPWASEC-UHFFFAOYSA-N 316.361 -0.921 30 20 DBED C[C@H](C#N)C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cn(C)nn1 1002382195 UBBAJCTYPUPMAQ-BFLSOPEQSA-N 302.338 -0.164 30 20 DBED N#Cc1ccc(C(=O)N2CC3(CCCN(C(=O)C(N)=O)C3)C2)[nH]1 1010630959 YXOKTHKKLWYRBI-UHFFFAOYSA-N 315.333 -0.564 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C(=O)c2ccn3nnnc3c2)CC1 1011882159 YTQQERVEUUIBDF-SNVBAGLBSA-N 313.321 -0.432 30 20 DBED CC(=O)N1CCO[C@H](C(=O)N2CCN(C(=O)[C@H](C)C#N)CC2)C1 1011999362 DDGRDPPUDVWVKN-YPMHNXCESA-N 322.365 -0.936 30 20 DBED C=C(Cl)CN1CC[C@H](NC(=O)CN2CCC(=O)NC2=O)C1 1015949492 SKRIKCQQVXFCBF-JTQLQIEISA-N 314.773 -0.129 30 20 DBED N#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)CCc1nnc(O)nc1O 1017695752 BLHNWUMVNOGWBN-AOOOYVTPSA-N 318.337 -0.586 30 20 DBED C[C@H](C#N)C(=O)N1CCC2(C1)CN(C(=O)[C@]1(C)CCNC1=O)C2 1019438052 FTCRTKUFHAWUEE-IAQYHMDHSA-N 318.377 -0.267 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H](NCc3cnon3)C2)nn1 1019482545 ZHCAXAGSTWIMJI-JTQLQIEISA-N 303.326 -0.149 30 20 DBED C=CCN1CC[C@H](N(C)C[C@H]2CCN(C(=O)C(N)=O)C2)C1=O 1029823080 PPNFBWWWUPAQNE-NEPJUHHUSA-N 308.382 -0.961 30 20 DBED CN(C)c1noc(CN2CC(NC(=O)c3c[nH]c(C#N)c3)C2)n1 1030230776 LTJQLDXLGVOJKQ-UHFFFAOYSA-N 315.337 -0.050 30 20 DBED C#CCCN1CC(CNC(=O)c2cn(C[C@H]3CCOC3)nn2)C1 1032082471 FDPQSWPYASBEQO-CYBMUJFWSA-N 317.393 -0.001 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2Cc1cnon1 1032453666 JAANSZNCGPBRFW-KKUMJFAQSA-N 315.377 -0.048 30 20 DBED N#CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cn(C[C@H]2CCOC2)nn1 1032705989 AHWRMKKUCBIJBD-AGIUHOORSA-N 316.365 -0.263 30 20 DBED C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3Cc2nc(O)n[nH]2)cn1 1032739630 JEHJPOLURCPZBA-STQMWFEESA-N 324.344 -0.015 30 20 DBED C#CCN1CC[C@@H](N(C)C(=O)C2(n3cnnn3)CCOCC2)C1 1033489276 GDWSQMBMAMICEM-CYBMUJFWSA-N 318.381 -0.655 30 20 DBED C#CCN[C@@H]1CCN(C(=O)Cn2nc(C)n(C)c2=O)C[C@@H]1C 1036277845 YEPCDEQNPWJJOO-WCQYABFASA-N 305.382 -0.650 30 20 DBED CC(C)C#CC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1039665871 UVVKKQDXPYQCJZ-SHFYGJNESA-N 320.389 -0.382 30 20 DBED Cc1c[nH]c(C(=O)N2CC[C@@](O)(CNC(=O)C#CC3CC3)C2)n1 1039688635 MMXNIOBPOITGCH-MRXNPFEDSA-N 316.361 -0.175 30 20 DBED C#CCOCCC(=O)NC[C@]1(O)CCN(C(=O)[C@H](F)CC)C1 1039721921 PTINVXGJWFTWIZ-IUODEOHRSA-N 314.357 -0.146 30 20 DBED Cc1nnsc1C(=O)NCC1(O)CN(C(=O)[C@@H](C)C#N)C1 1041419003 CXHFYYMJHYPRLY-ZETCQYMHSA-N 309.351 -0.691 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCNC(=O)C2)C1 1041956653 UCNRDPZNZGBDKP-LLVKDONJSA-N 309.366 -0.832 30 20 DBED C[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1NC(=O)Cc1nc[nH]n1 1042190401 AJTZTYRENWKILO-MWLCHTKSSA-N 312.337 -0.350 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)CC[C@@H]2CCOC2)C1 1042454179 IXBHEOCVFNBUJR-NWDGAFQWSA-N 309.366 -0.348 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)C2CCC(O)CC2)C1 1042829326 FVHJMZJSTIMOSY-UHFFFAOYSA-N 322.405 -0.114 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)[C@H](C)c2ccnn2C)C1 1043252862 CDXZOKQVGUGBAW-GHMZBOCLSA-N 319.365 -0.627 30 20 DBED C=C1CCC(C(=O)N2CC(O)(CNC(=O)c3nc[nH]n3)C2)CC1 1044783254 WWGPHBUMXZMILW-UHFFFAOYSA-N 319.365 -0.146 30 20 DBED C=CCCCC(=O)NCC1(O)CN(C(=O)[C@H]2CCC(=O)N2C)C1 1045470442 WYBGDDCNNCECLX-GFCCVEGCSA-N 323.393 -0.347 30 20 DBED C[C@@]1(NC(=O)C2CC3(C2)NC(=O)NC3=O)CCN(CC#N)C1 1046697558 NDRZBLIPCLDLNM-JRZRUSQNSA-N 305.338 -0.921 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccn(CCOC)n2)C1 1047452928 IVZNSJOJUMFKJQ-GJZGRUSLSA-N 320.393 -0.330 30 20 DBED C=CCCC(=O)N(C)[C@H]1CN(C(=O)Cc2ccnn2C)C[C@@H]1O 1048523887 URDIUOMCZWLEJY-KBPBESRZSA-N 320.393 -0.041 30 20 DBED C=CCCC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CCN(C)C2)C[C@@H]1O 1048531288 ZSLYYIIQVMKICR-RDBSUJKOSA-N 309.410 -0.066 30 20 DBED C#Cc1cncc(C(=O)N2C[C@@H]3CN([C@H](C)C(N)=O)C[C@@H]3C2)c1 1049048069 YQRUUDIDWPNBBX-DFBGVHRSSA-N 312.373 -0.060 30 20 DBED C#CCCN1CCOC[C@H]1CNC(=O)c1cc2n(n1)CCO2 1050954914 COLHCCTWZZWPOJ-GFCCVEGCSA-N 304.350 -0.271 30 20 DBED C#CCCN1CCN([C@@H]2CCN(C(=O)[C@@H]3COC(=O)N3)C2)CC1 1052019297 XZTOJRGQPAQFKN-KGLIPLIRSA-N 320.393 -0.663 30 20 DBED C#CCN1CCN([C@H]2CCN(C(=O)c3cnc(O)n3C)C2)CC1 1052060550 HJUNBTXLNGOXGB-ZDUSSCGKSA-N 317.393 -0.409 30 20 DBED C#CCCN1CCC[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)CC1 1052454583 DJLYMCUOMHQGCB-NEPJUHHUSA-N 306.366 -0.422 30 20 DBED CC#CCN1CCC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)CC1 1052959464 VORCIKLNZSTYRD-GFCCVEGCSA-N 318.381 -0.629 30 20 DBED CCn1ncnc1CN1CC2(C1)CN(C(=O)[C@H](C)C#N)CCO2 1053193663 PUODGOWPBLPIRC-GFCCVEGCSA-N 318.381 -0.129 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCOC2(CN(CCOC)C2)C1 1053291166 BJNOHLBSESCYOE-HNNXBMFYSA-N 321.421 -0.356 30 20 DBED C[C@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1CNC(=O)C#CC1CC1 1053298628 ALWRYYXHULXQAO-WCQYABFASA-N 317.389 -0.124 30 20 DBED Cn1oc(C(=O)NC[C@@H]2CCC3(CN(CC#N)C3)O2)cc1=O 1053594541 OAPOEVHDZKZUSN-JTQLQIEISA-N 306.322 -0.535 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2COC3(C2)CN(CCCO)C3)c1 1053765954 BCZMGFCUEIMHTM-LBPRGKRZSA-N 304.350 -0.158 30 20 DBED N#Cc1nccc(N2CCN(C(=O)C[C@@H]3CCNC3=O)CC2)n1 1055924654 SLTCCSBTYJUMTB-NSHDSACASA-N 314.349 -0.477 30 20 DBED C#CCCCCCC(=O)N1CCC[C@@](CO)(NC(=O)C(N)=O)C1 1056088772 IJDCAIOZFWCGFM-MRXNPFEDSA-N 323.393 -0.475 30 20 DBED C=CCOCC(=O)N1CC[C@@H]2[C@H]1CCCN2C(=O)CC(=O)NC 1056363943 QCKDWBLJEKAVQM-CHWSQXEVSA-N 323.393 -0.083 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)[C@H]1CC[C@@H]1C(N)=O 1057445377 RYFLJDOJONEPQF-STQMWFEESA-N 323.393 -0.762 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)C[C@@H]1CCC(=O)N1 1057517400 SGLJFMBGSSRXEZ-ZDUSSCGKSA-N 323.393 -0.748 30 20 DBED CS(=O)(=O)CC(=O)N1CCC[C@@H](N=c2cc[nH]c(C#N)n2)C1 1057577949 RSTAUKQUOFDJPI-SNVBAGLBSA-N 323.378 -0.782 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)C1CCC(O)CC1 1058652872 HDFMLBNKGGRHJV-PNESKVBLSA-N 311.382 -0.366 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 1058660921 KSYZFOLFEMRBGS-QJPTWQEYSA-N 319.365 -0.390 30 20 DBED N#Cc1cncc(N2CCC[C@H]2CNC(=O)[C@@H]2CNC(=O)N2)n1 1061441307 UXBLJRDIZRVNKH-QWRGUYRKSA-N 315.337 -0.885 30 20 DBED C=C1CC(C)(C(=O)NC[C@H]2COCCN2C(=O)CC(N)=O)C1 1061883180 NOOVLBHBCSUUBQ-NSHDSACASA-N 309.366 -0.438 30 20 DBED N#Cc1nccnc1N1[C@H]2CC[C@H]1CN(C(=O)c1nc[nH]n1)C2 1061980906 IZQOSBJRLZUYDZ-UWVGGRQHSA-N 310.321 -0.040 30 20 DBED C#CCOCCC(=O)NCC1(NC(=O)CC(=O)N(C)C)CCC1 1063040487 UKHWPEIOHWVLKW-UHFFFAOYSA-N 323.393 -0.340 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(NC(=O)[C@@H]2CCC(=O)N2)CCC1 1063043014 HKHVOVNCEGGWIH-RYUDHWBXSA-N 321.377 -0.542 30 20 DBED N#Cc1cnc(NC[C@H]2CCCN2C(=O)[C@@H]2CNC(=O)N2)cn1 1063552356 ATSGFACGBFJKFD-MNOVXSKESA-N 315.337 -0.567 30 20 DBED N#Cc1cncc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)Cn2nccn2)n1 1064300857 JZKAXFHENVJOIZ-OLUVUFQESA-N 310.321 -0.667 30 20 DBED CC[C@@H]1CN(C(=O)C(N)=O)CC[C@H]1N=c1cc[nH]c(C#N)n1 1064413481 WDYGOSPSKAIYFJ-NXEZZACHSA-N 302.338 -0.706 30 20 DBED CC(=O)N[C@@H](C)C(=O)N1CCO[C@@H](CNC(=O)C#CC(C)C)C1 1064816642 CPKADMJVDKUOBW-JSGCOSHPSA-N 323.393 -0.486 30 20 DBED C#CCCCC(=O)N1CCO[C@H](CNC(=O)[C@H](C)CC(N)=O)C1 1065090724 OKQXGQARSDEIOB-CHWSQXEVSA-N 323.393 -0.355 30 20 DBED C[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@@H]1Nc1cncc(C#N)n1 1067050200 ZHBXFJNJKQKNJK-KOLCDFICSA-N 323.378 -0.348 30 20 DBED C=C(C)CCC(=O)N1CC2(CC[C@H](CNC(=O)C(N)=O)O2)C1 1068618055 MBINASQYSNZZRR-LLVKDONJSA-N 309.366 -0.296 30 20 DBED C=CCCC(=O)N[C@@H]1COC2(C1)CN(C(=O)c1cnnn1C)C2 1068753832 UCTAEPQLWHMFKZ-NSHDSACASA-N 319.365 -0.119 30 20 DBED C[C@H]1C[C@H](Nc2ccc(C#N)nn2)CN1C(=O)Cn1cnnn1 1069005849 JHHOXNNAFHOFCV-ONGXEEELSA-N 313.325 -0.564 30 20 DBED C[C@H]1C[C@@H](N=c2cc[nH]c(C#N)n2)CN1C(=O)Cn1cncn1 1069099798 UEZQNDWZNUOPOC-WDEREUQCSA-N 312.337 -0.537 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)c2nccc(C)n2)CC1 1070959671 CISOXTGOMXRBQF-UHFFFAOYSA-N 315.377 -0.318 30 20 DBED C=CCN1C[C@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)CC[C@@H]1C 1071865450 JVSXNZWULGONFH-WDEREUQCSA-N 322.365 -0.438 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H](C)[C@@H](NC(=O)CCN(C)C)C1 1071936710 SFOAJSXOKYGVHE-STQMWFEESA-N 322.409 -0.959 30 20 DBED CNC(=O)CC(=O)N1C[C@@H](NC(=O)CSCC#N)[C@H](C)C1 1071963287 OMLIXRWCDPEEMA-NXEZZACHSA-N 312.395 -0.658 30 20 DBED C#CCCN1CCC2(C1)CN(C(=O)c1cc(=O)n(C)cn1)C2 1072825103 VIEGCZAUULAZJV-UHFFFAOYSA-N 300.362 -0.049 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)[C@@H]2CCC(=O)N(C)C2)C1 1073901699 BVYNIWWLNGIXKP-ZIAGYGMSSA-N 307.394 -0.305 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)c3cc(C(N)=O)c[nH]3)C[C@@H]21 1074368330 FDYFYOVCYCISQF-KBPBESRZSA-N 316.361 -0.338 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](NC(=O)C(F)F)C[C@@H]1C 1074749068 HZRMTKIFDVFXHT-VHSXEESVSA-N 315.320 -0.113 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H](C)CCNC(=O)CCc1nc[nH]n1 1076084062 DERDIGOPPOXRNM-NWDGAFQWSA-N 321.381 -0.213 30 20 DBED C=CCO[C@H](C)C(=O)NCC[C@H](C)NC(=O)[C@H](C)NC(N)=O 1077066718 VVZUONQSNLFZRG-GARJFASQSA-N 314.386 -0.355 30 20 DBED CC(C)C#CC(=O)N[C@@H](C)CCNC(=O)C1CC(=O)NC(=O)C1 1077382988 LBIIOZPPDNKJLT-NSHDSACASA-N 321.377 -0.290 30 20 DBED CNC(=O)c1cccc(C(=O)N[C@@H]2CN(CC#N)C[C@H]2O)c1 1078201989 YUOGYJLFWXKMJO-CHWSQXEVSA-N 302.334 -0.655 30 20 DBED C#CCN[C@H]1C[C@H](NC(=O)Cn2c(O)nnc2O)C12CCC2 1078793846 BPTPLMSCYVDKRN-UWVGGRQHSA-N 305.338 -0.661 30 20 DBED C#CCOCCC(=O)N1CCC[C@@H](N(C)C(=O)CC(N)=O)CC1 1078896566 OXQBPTMUHFPWMX-CYBMUJFWSA-N 323.393 -0.259 30 20 DBED C=CCOCC(=O)N1CC(N(CC)C(=O)[C@H](C)CC(N)=O)C1 1080216278 PFJQJTUBNBJANS-LLVKDONJSA-N 311.382 -0.240 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@H]1CCc2nnnn2CC1 1080478120 HRDBJBNAJHYLGO-GRYCIOLGSA-N 303.370 -0.414 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](O)[C@H](CNC(=O)C2=CCOCC2)C1 1081428659 TYVDEIHVQZGAJJ-HUUCEWRRSA-N 320.389 -0.072 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CCOCC2)C1 1081428671 UBYHANPTXMMDAN-UONOGXRCSA-N 324.377 -0.529 30 20 DBED Cc1nn(CC(=O)N[C@@H]2CN(CC#N)C[C@@H]2O)c2ncccc12 1083660268 PYYYANZYJKFVMF-OLZOCXBDSA-N 314.349 -0.575 30 20 DBED C#CCN1CC[C@@H](NC(=O)CN2CCCCCCC2=O)[C@H](O)C1 1090311698 XDEUOTRROJTJLR-HUUCEWRRSA-N 321.421 -0.036 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(c2ncc(Cl)cn2)C[C@H]1O 1090488381 IIZRYFKUBQWUNM-YUSALJHKSA-N 324.768 -0.166 30 20 DBED C[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1NC(=O)CCNC(N)=O 1090711323 PBEBZZXXPWMEBV-MWLCHTKSSA-N 317.353 -0.652 30 20 DBED C=CCN1CC[C@@H](NC(=O)c2nc3nccc(C)n3n2)[C@H](O)C1 1090773385 FJCAIXLJHFEKOK-VXGBXAGGSA-N 316.365 -0.216 30 20 DBED C#CCNC(=O)CC(=O)NCC1CC(Nc2ncccn2)C1 1092210653 ANHYVJFBUSFJEU-UHFFFAOYSA-N 301.350 -0.077 30 20 DBED COCCOCC(=O)N[C@H]1[C@@H]2CN(c3cncc(C#N)n3)C[C@@H]21 1093253178 DHQBFIGZVHYSIT-JYAVWHMHSA-N 317.349 -0.438 30 20 DBED N#Cc1nccnc1NCCNC(=O)c1cccnc1C(N)=O 1093664482 FQNQAMGXGNWWGO-UHFFFAOYSA-N 311.305 -0.316 30 20 DBED Cc1cc(=NCCNC(=O)CCN2CCOCC2)c(C#N)c[nH]1 1093732887 CUCPDBOFELYPGM-UHFFFAOYSA-N 317.393 -0.066 30 20 DBED Cc1cc(=NCCNC(=O)C(=O)NCC(F)F)c(C#N)c[nH]1 1093968055 DOAMPNVMPFCVTO-UHFFFAOYSA-N 311.292 -0.407 30 20 DBED N#Cc1ccc(NCCNC(=O)c2ccc3nnnn3c2)nn1 1093986374 LJASXUFAVPRRFM-UHFFFAOYSA-N 309.293 -0.372 30 20 DBED C#CCN1CCN(C(=O)CSC)[C@@H]2CS(=O)(=O)C[C@@H]21 1094603815 QLMHFFUKBQVWPG-WDEREUQCSA-N 302.421 -0.708 30 20 DBED C#CCN1CCN(C(=O)CC(C)(C)O)[C@@H]2CS(=O)(=O)C[C@@H]21 1094627496 KDIHXAYUGYKEAT-NWDGAFQWSA-N 314.407 -0.910 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)c3c(C)cnn3C)CC2=O)C1 1094773492 XQMOBUQHTZOCNX-GFCCVEGCSA-N 317.393 -0.071 30 20 DBED Cc1ncc(C(=O)N[C@H]2CC(=O)N(C3CN(CC#N)C3)C2)n1C 1094777564 XWGOFLYQOIBCHJ-NSHDSACASA-N 316.365 -0.733 30 20 DBED C#CCN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1c(O)nnc1O)C2 1095045967 RRNZPJXTYKBFSK-AXFHLTTASA-N 305.338 -0.708 30 20 DBED C=CCOCC(=O)N1CCCN(c2nccn3nnnc23)CC1 1095168574 XGVPVWUSODEZQW-UHFFFAOYSA-N 317.353 -0.239 30 20 DBED CC(=O)NCC(=O)NCCCN(c1cnc(C#N)cn1)C1CC1 1096004033 AIOFUGIREIFTMJ-UHFFFAOYSA-N 316.365 -0.041 30 20 DBED C=CCn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC(N)=O)nn1 1096126878 KTTITYOSACERRY-SCVCMEIPSA-N 304.354 -0.716 30 20 DBED N#Cc1cnccc1N1CCC[C@@H](NC(=O)CNC(N)=O)C1 1096136984 RRSFYYQUZOGELC-LLVKDONJSA-N 302.338 -0.293 30 20 DBED CNC(=O)CC(=O)NC[C@H]1CCCN(c2ccc(C#N)nn2)C1 1097295678 LJXSMVGEMDJTME-LLVKDONJSA-N 316.365 -0.183 30 20 DBED N#Cc1cnc(N2CCC[C@H](CNC(=O)C(N)=O)C2)c(F)c1 1097339294 MATACEOEGUGARX-SECBINFHSA-N 305.313 -0.090 30 20 DBED CC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H]1CN(C(C)=O)CCO1 1098308652 OTSUTGBFYPGDRO-WCVJEAGWSA-N 319.405 -0.022 30 20 DBED C=CCN(CCO)C1CCN(C(=O)[C@@]2(C)CNC(=O)C2)CC1 1098437168 OXBKKFDJHJBPHI-MRXNPFEDSA-N 309.410 -0.016 30 20 DBED C[C@H]1CN(C)C[C@H]1C(=O)N1CCC(N(CC#N)CCO)CC1 1098479279 ZKEQWHYPKKXCDC-DZGCQCFKSA-N 308.426 -0.007 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)c2ncn(C)n2)[C@@H](O)C1 1099802392 VAIRSZOQRWFQBZ-NEPJUHHUSA-N 309.370 -0.817 30 20 DBED C=C(C)CCN1CC[C@H](NC(=O)C(=O)NCC(F)F)[C@H](O)C1 1099901741 NTBGEBDXAGJRQK-WDEREUQCSA-N 319.352 -0.115 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)Cn2cncn2)[C@@H](O)C1 1100101862 UBNWFZBGRNWGKR-STQMWFEESA-N 309.370 -0.968 30 20 DBED CCN(CCNC(=O)[C@@H]1CCC(=O)NC1)c1cnc(C#N)cn1 1100765515 MRHNGXWEDMVMMS-LLVKDONJSA-N 316.365 -0.183 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)C[C@H]2CCN(C)C2)C1 1100872961 PMOJPZKVPMPMBK-WLYUNCDWSA-N 320.437 -0.438 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H]1CCN(c2ccc(C)nn2)C1 1100974087 ODCHIFZOARVJEL-CYBMUJFWSA-N 315.377 -0.133 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)[C@@H]1CCNC(=O)C1 1101548054 ARQJTVDPFMFGFN-SNVBAGLBSA-N 302.338 -0.833 30 20 DBED CC[C@@H](NC(C)=O)C(=O)N(C)CCN=c1cc[nH]c(C#N)n1 1101963860 RWIWUJXCUFFTQS-LLVKDONJSA-N 304.354 -0.445 30 20 DBED C=CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)Cn2nccn2)C1 1102003863 SRBYHNXQIGROIY-CHWSQXEVSA-N 320.397 -0.736 30 20 DBED C[C@H](NC(N)=O)C(=O)N(C)[C@H]1CCN(c2nccnc2C#N)C1 1102697744 NGAFNAPCKGFKKY-UWVGGRQHSA-N 317.353 -0.558 30 20 DBED CC[C@@H](CNC(=O)[C@H]1CCN(C)C1=O)N=c1cc[nH]c(C#N)n1 1103267242 UUCLMSJAMSSJJL-WDEREUQCSA-N 316.365 -0.445 30 20 DBED CC[C@H](CNC(=O)C1(C(N)=O)CC1)N=c1cc[nH]c(C#N)n1 1103281859 UFDFAUXFRFOUKT-SECBINFHSA-N 302.338 -0.658 30 20 DBED C=CCCNCc1cn(C2CN(C(=O)[C@H]3CCC(=O)N3)C2)nn1 1105190056 QNSCHINDAIQRAO-CYBMUJFWSA-N 318.381 -0.394 30 20 DBED N#Cc1nccnc1NC[C@@H](O)CNC(=O)c1cnsn1 1105723963 XHFVHBVTCVWASH-SSDOTTSWSA-N 305.323 -0.597 30 20 DBED Cc1cnn(CC(=O)NC[C@@H](O)CN=c2cc[nH]cc2C#N)c1 1105733816 YUIOBPUFTKSWSL-ZDUSSCGKSA-N 314.349 -0.531 30 20 DBED CC(=O)N[C@H](C)C(=O)NC[C@@H](O)CNc1ncccc1C#N 1105735197 MFURMZOMVPVVBU-SKDRFNHKSA-N 305.338 -0.633 30 20 DBED CN1CCC[C@@H]1C(=O)NC[C@H](O)CNc1ccc(C#N)cn1 1105755650 LZSPXLFETHNZQU-CHWSQXEVSA-N 303.366 -0.064 30 20 DBED CC(=O)N1CC(C(=O)NC[C@H](O)CNc2ccc(C#N)cn2)C1 1105795928 JGQLUSNWXGCICA-CYBMUJFWSA-N 317.349 -0.679 30 20 DBED Cc1cc(=NC[C@@H](O)CNC(=O)CC2(O)CCC2)c(C#N)c[nH]1 1105809861 JUYDEPPRCZSLDJ-CYBMUJFWSA-N 318.377 -0.122 30 20 DBED COC1CC(C(=O)NC[C@H](O)CNc2ccc(C#N)nn2)C1 1105997651 YCPJMSZUVXGXOO-CKBZRRDASA-N 305.338 -0.338 30 20 DBED C[C@H](CCNc1ccc(C#N)nn1)NC(=O)[C@H]1CN(C)CCO1 1106293824 LDAYLVISMOBWKX-DGCLKSJQSA-N 318.381 -0.014 30 20 DBED CN1CC[C@H](CC(=O)NCc2cn(C3CN(CC#N)C3)nn2)C1 1107230050 YIFQMLDPUUQSNT-GFCCVEGCSA-N 317.397 -0.384 30 20 DBED CN1C[C@@H](C(=O)NC/C=C/CNc2ccc(C#N)nn2)NC1=O 1107450922 JAKPRHOYIRKSCU-VUDBWIFFSA-N 315.337 -0.544 30 20 DBED CN1C[C@H](C(=O)NC/C=C/CNc2nccnc2C#N)NC1=O 1107452152 UKJQZBAECNCSLQ-KXMPLOMGSA-N 315.337 -0.544 30 20 DBED C[C@@H](CC(N)=O)C(=O)NC/C=C\CNc1nccnc1C#N 1107453027 WIDOUSSEWUMCGY-ZMWSMAPVSA-N 302.338 -0.056 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)COCCN(C)C 1107848784 QNJJATODGGSJPO-LLVKDONJSA-N 306.370 -0.735 30 20 DBED C[C@]1(CNC(=O)C#CC2CC2)CN(CC(=O)NCC#N)CCO1 1107931053 UTGRLBFDVXHOQV-INIZCTEOSA-N 318.377 -0.753 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)CCCn2ccnn2)C1 1107988564 HCWOEMROIBMSTK-OAHLLOKOSA-N 305.382 -0.101 30 20 DBED CN1CC[C@@H](CC(=O)NC[C@@]2(C)CN(CC#N)CCO2)C1=O 1108015322 VAYREYQSUOCDGI-WFASDCNBSA-N 308.382 -0.415 30 20 DBED C[C@H](CNc1cncc(C#N)n1)NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 1108105513 LCACAUZEYMSGCE-DVVUODLYSA-N 318.337 -0.702 30 20 DBED C=CC(C)(C)C(=O)N[C@H]1CC(=O)N(C2CN([C@@H](C)C(N)=O)C2)C1 1108560845 OIELNCNINYDQRO-QWRGUYRKSA-N 322.409 -0.526 30 20 DBED COCCOCC(=O)N[C@H](C)CN(C)c1cnc(C#N)cn1 1108882822 YFHZUPGGNMJRHN-LLVKDONJSA-N 307.354 -0.048 30 20 DBED C[C@@H](CN(C)c1cnc(C#N)cn1)NC(=O)[C@H]1CCN(C)C1=O 1109182603 BZTHGRYIBYRLTJ-CMPLNLGQSA-N 316.365 -0.233 30 20 DBED Cc1ccc(C#N)c(N(C)C[C@@H](C)NC(=O)[C@H]2CNC(=O)N2)n1 1109210525 BYRPMYXRWZPFQC-ZYHUDNBSSA-N 316.365 -0.116 30 20 DBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@]1(F)CCOC1 1109639299 STSDZWQOZKOKIE-OXJKWZBOSA-N 324.356 -0.524 30 20 DBED CCNC(=O)CC(=O)N[C@H]1[C@H]2C[C@H]1N(c1cnc(C#N)cn1)C2 1109704035 JZWYWNJLPGKNCI-ISOBSLSZSA-N 314.349 -0.432 30 20 DBED C[C@H](NC(N)=O)C(=O)N[C@@H](CNc1cncc(C#N)n1)C1CC1 1109843357 YKVCDVLGLBVHRC-KWQFWETISA-N 317.353 -0.288 30 20 DBED N#Cc1cnc(NC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C2CC2)cn1 1109963334 BKRCHITTYORESC-MNOVXSKESA-N 315.337 -0.664 30 20 DBED N#Cc1nccnc1NC[C@H](NC(=O)[C@H]1CNC(=O)N1)C1CC1 1109963672 MHHPYVUCPDRQOH-WDEREUQCSA-N 315.337 -0.664 30 20 DBED N#Cc1ccc(NC2(CNC(=O)[C@@H]3CNC(=O)N3)CC2)nn1 1110324309 IFPVIMCXQSVXAX-VIFPVBQESA-N 301.310 -0.910 30 20 DBED CCOCC(=O)NC[C@@]1(O)CCN(c2ccc(C#N)nn2)C1 1111023109 WDYATHDRBJMULO-AWEZNQCLSA-N 305.338 -0.558 30 20 DBED COCCC(=O)N[C@@]1(CO)CCCN(c2cncc(C#N)n2)C1 1111330278 YLQNJIHKLKNECB-HNNXBMFYSA-N 319.365 -0.168 30 20 DBED N#Cc1cccnc1NCCN(CCO)C(=O)[C@H]1COC(=O)N1 1111459670 DILCTWKHWMCAQA-LLVKDONJSA-N 319.321 -0.706 30 20 DBED CO[C@@H](C)C(=O)NC[C@H]1COCCN1c1ccnc(C#N)n1 1111656696 IEIMPCKOPFJRPR-QWRGUYRKSA-N 305.338 -0.295 30 20 DBED CN(CCCN(C)c1ccnc(C#N)n1)C(=O)[C@H]1COC(=O)N1 1112074986 FFMBRSIBXFEYHO-SNVBAGLBSA-N 318.337 -0.259 30 20 DBED C[C@H]1CN(c2ccc(C#N)nc2)CC[C@@H]1NC(=O)CNC(N)=O 1112394293 ZEFHSAXZEOSMCA-GWCFXTLKSA-N 316.365 -0.047 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)c2cc[n+]([O-])cc2)CC1 1112601406 RIHJMWZGVBAVQV-CYBMUJFWSA-N 318.377 -0.232 30 20 DBED CC(C)OCC(=O)NC[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1O 1112709928 QQFIQYBHUNKMMJ-DGCLKSJQSA-N 319.365 -0.313 30 20 DBED C#CCNC(=O)CC(=O)N1CCN(Cc2ncc(C)o2)CC1 1112774148 IVEJLEZXPDCULA-UHFFFAOYSA-N 304.350 -0.233 30 20 DBED CS(=O)(=O)CC(=O)NC1CC(CNc2ccc(C#N)nn2)C1 1112819524 YQQMYJPEVDJDBN-UHFFFAOYSA-N 323.378 -0.300 30 20 DBED C[C@H]1CCCN1CC(=O)N1CCN(CC(=O)NCC#N)CC1 1113344056 KVMFRIUIFUCQRX-ZDUSSCGKSA-N 307.398 -0.745 30 20 DBED C[C@H](CNC(=O)c1ncn(C)n1)N(C)c1ccnc(C#N)n1 1113582830 QFQMMDLSTBFTLC-SECBINFHSA-N 300.326 -0.269 30 20 DBED N#CCSCC(=O)NC1[C@H]2CN(CC(=O)NC3CC3)C[C@H]12 1113890888 IUNVFQPFBGRULZ-QWRGUYRKSA-N 308.407 -0.432 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)c3cn(C)cn3)[C@H]2C1 1114136188 DQQZIXYWXWBRFA-NMKXLXIOSA-N 315.377 -0.782 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)Cc3cccnc3)[C@H]2C1 1114139978 XPUFEHMOQPJSPU-KBPBESRZSA-N 314.389 -0.027 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@H]1[C@@H]2CN(CCN3CCNC3=O)C[C@@H]21 1114193600 DCDMREXWWCYSQI-TWJWRFFLSA-N 322.409 -0.615 30 20 DBED C#CCOCCC(=O)NC1[C@H]2CN(Cc3n[nH]c(C)n3)C[C@H]12 1114268034 DRYOZLBKDGIWKT-RYUDHWBXSA-N 303.366 -0.301 30 20 DBED C#CCCN1C[C@H]2C(NC(=O)[C@@H](Cn3cccn3)N(C)C)[C@@H]2C1 1114405686 YHVNSGWDTJWZAZ-RBSFLKMASA-N 315.421 -0.117 30 20 DBED Cc1cocc1C(=O)NC1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]12 1114690301 XRHFDNSARJLQQW-GHMZBOCLSA-N 302.334 -0.112 30 20 DBED CNC(=O)CC(=O)N[C@H]1C[C@H](CNc2nccnc2C#N)C1 1114763451 WETVDSZEULTYGK-MGCOHNPYSA-N 302.338 -0.209 30 20 DBED C=CCCN1C[C@H]2[C@H](NC(=O)CS(=O)(=O)N(C)C)[C@H]2C1 1115187471 ABJJECBTHOGAHV-PJXYFTJBSA-N 301.412 -0.500 30 20 DBED C=CCNC(=O)CS(=O)(=O)c1nncn1CCCOC 1117130486 LGQLAOLBRHCQJZ-UHFFFAOYSA-N 302.356 -0.610 30 20 DBED N#CCNC(=O)CNC(=O)NCCc1cn2c(n1)CCCC2 1117315847 CGAGRAJFNFDIPN-UHFFFAOYSA-N 304.354 -0.299 30 20 DBED C=C[C@H](CO)NC(=O)C(=O)Nc1ccc(S(C)(=O)=O)nc1 1118538958 AAOXMSLMYCKPGZ-MRVPVSSYSA-N 313.335 -0.913 30 20 DBED CCC[C@@H](C(=O)NC1(C#N)CCN(C)CC1)S(N)(=O)=O 1118646209 OLTXUVAGRDREMS-JTQLQIEISA-N 302.400 -0.452 30 20 DBED C=C(C)Cn1nnnc1N1CCC(S(=O)(=O)NC)CC1 1120006188 CELDJSLVEUFCKB-UHFFFAOYSA-N 300.388 -0.233 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C[C@H](C)Nc1nccn2nnnc12 1120093943 SSUSXAIHGVRXJM-WDEREUQCSA-N 317.353 -0.184 30 20 DBED CC(=O)N[C@H](C)C(=O)NC[C@@H](CO)Nc1ncccc1C#N 1121011639 YOEUEJPBUOGIEP-SKDRFNHKSA-N 305.338 -0.633 30 20 DBED N#Cc1cccnc1N[C@H](CO)CNC(=O)[C@H]1CCCNC1=O 1122146972 GNEMTZVMOKMGSD-RYUDHWBXSA-N 317.349 -0.632 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H](CO)N=c2cc[nH]c(C#N)n2)cc1 1122384663 DYAVNDLQJIZCKO-AWEZNQCLSA-N 321.340 -0.046 30 20 DBED Cc1cc(=N[C@@H](CO)CNC(=O)Cc2cnoc2)c(C#N)c[nH]1 1122390516 GEHREDZCKCHFSH-CYBMUJFWSA-N 315.333 -0.197 30 20 DBED CC(=O)NCC(=O)N[C@H]1CCCN(c2cncc(C#N)n2)[C@H]1C 1123520503 AVNMAPQYILVLOG-GWCFXTLKSA-N 316.365 -0.042 30 20 DBED C#CCNC(=O)CNCCNC(=O)Cc1c(CC)noc1CC 1129652047 MEKFLUCYYCAOQQ-UHFFFAOYSA-N 320.393 -0.203 30 20 DBED CCO[C@@H](CC)C(=O)N1C[C@H](n2ccnn2)[C@H](NCC#N)C1 1129656846 WIPNYCIUKKIFSP-AGIUHOORSA-N 306.370 -0.042 30 20 DBED CC#CCN[C@@H]1CN(C(=O)CC(=O)NCC)C[C@@H]1n1ccnn1 1129798409 UGFYWLWZAHCLRC-OLZOCXBDSA-N 318.381 -0.831 30 20 DBED C=CCN1CCOC[C@@H]1c1n[nH]c(CNC(=O)CNC(C)=O)n1 1130822052 FTXRDHWBRSTQII-LLVKDONJSA-N 322.369 -0.884 30 20 DBED C=C[C@](C)(O)CC(=O)N1C[C@@H]2C[C@@H]3CN(CC(N)=O)C[C@]2(C1)O3 1131219868 FCPREBCNONNKRD-SHUKQUCYSA-N 323.393 -0.900 30 20 DBED CN(C)CC1(C(=O)N2CCC(=O)NCCN(CC#N)CC2)CC1 1131379215 UMBFOTSPTHNHNC-UHFFFAOYSA-N 321.425 -0.498 30 20 DBED C=CCNC(=O)CNCCNC(=O)C[C@@H](C)c1cnn(C)c1 1131731742 HWGTUIXVSKJHHC-GFCCVEGCSA-N 307.398 -0.078 30 20 DBED C=CCOCC(=O)N[C@H]1CC[C@H](C)N(CC(=O)NCC#N)C1 1131947672 XKHYOOPMUANBHQ-STQMWFEESA-N 308.382 -0.202 30 20 DBED C[C@@H](C[C@@H](C)NCc1nnnn1C)NC(=O)CSCC#N 1133735664 GBSDBOKWFVHFJP-ZJUUUORDSA-N 311.415 -0.160 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)c1cnc(C)[nH]1 1133916287 FWANKVHTIQIBCH-QWRGUYRKSA-N 305.382 -0.046 30 20 DBED Cc1nocc1C(=O)N1CC2(CCN(CC(=O)NCC#N)C2)C1 1148205826 QBGPREKCYVUKFK-UHFFFAOYSA-N 317.349 -0.229 30 20 DBED COC[C@H](O)CN1CCCO[C@@H](CNC(=O)C#CC2CC2)C1 1149694760 UFHXYPLVJJQMNN-CABCVRRESA-N 310.394 -0.386 30 20 DBED C=CCCCN1CCCO[C@@H](CNC(=O)[C@H]2CNC(=O)N2)C1 1150195369 YXOGHZZEODFVAT-QWHCGFSZSA-N 310.398 -0.159 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)CCCn1cccn1 1151440867 DKBGMCHGDKVHPR-CYBMUJFWSA-N 305.382 -0.493 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)CCCN(C)C 1154904185 OFABHQAWADYEMX-CYBMUJFWSA-N 311.430 -0.205 30 20 DBED C=CCOCC(=O)NCCCNC[C@@H](O)CO[C@@H](C)COC 1155707305 GCPIAZDQMPSYFT-UONOGXRCSA-N 318.414 -0.303 30 20 DBED C=CCNC(=O)CNCCCNC(=O)CCNC(=O)[C@@H]1C[C@H]1C 1159231188 RMFNOWAKEVYNIM-CHWSQXEVSA-N 324.425 -0.453 30 20 DBED COCC#CCNCC1(CCNC(=O)[C@@H]2COC(=O)N2)CC1 1164352078 PDKYWPHYVHPQBT-LBPRGKRZSA-N 309.366 -0.379 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)c1cc(C(N)=O)co1 1166479507 RDRNKIHXZGDUPL-JTQLQIEISA-N 320.349 -0.774 30 20 DBED C[C@@H](CCCCNCC(=O)NCC#N)NC(=O)c1cnccn1 1168915196 ZFVMHBODJYQGCC-LBPRGKRZSA-N 318.381 -0.005 30 20 DBED C=CCNC(=O)NC(=O)CNCCCNC(=O)Cc1ncc[nH]1 1169205175 UHDZVWCWPMJARJ-UHFFFAOYSA-N 322.369 -0.940 30 20 DBED C=CCNC(=O)CNCCCNC(=O)C(=O)NCC(F)(F)F 1169444390 UUJIYFPITSGRFU-UHFFFAOYSA-N 324.303 -0.937 30 20 DBED C=CCNC(=O)CNCCCC[C@@H](C)NC(=O)[C@H]1CCC(=O)N1 1169778331 RXQCNEQHOWFTFB-CHWSQXEVSA-N 324.425 -0.168 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H](C)CCCCNCC(=O)NCC#N 1170743876 ZKSFRPPIOPRBNI-UONOGXRCSA-N 322.409 -0.071 30 20 DBED CCNC(=O)CCCC(=O)NCCCNCC(=O)NCC#N 1171460013 WQAIFANUDIWJNA-UHFFFAOYSA-N 311.386 -0.972 30 20 DBED C=CCNCCCC[C@@H](C)NC(=O)CN1C(=O)C(=O)N(C)C1=O 1175555461 HFFXNCVYMAMRED-LLVKDONJSA-N 324.381 -0.142 30 20 DBED CCCC(=O)NCC(=O)N1CC[C@H](NCC(=O)NCC#N)[C@@H]1C 1178271838 QJUCWQDAUXQHIA-RYUDHWBXSA-N 323.397 -0.879 30 20 DBED C=CCN1CC[C@H](N[C@H]2CCN(C(=O)CC(=O)NC)[C@H]2C)C1=O 1178548368 VKCCNUISHDIZGJ-AVGNSLFASA-N 322.409 -0.512 30 20 DBED C=CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)c2cnnn2C)[C@H]1C 1178595153 POBGCTNGRMZROQ-SRVKXCTJSA-N 320.397 -0.302 30 20 DBED CNC(=O)NCC(=O)NCCCCCCNCC#CCOC 1178634440 VCAODGURLXPTCZ-UHFFFAOYSA-N 312.414 -0.169 30 20 DBED C#CCOCCC(=O)N1CC[C@H](NCc2cn(C)nn2)[C@@H]1C 1178681416 DGJCFGIBHNJZSH-JSGCOSHPSA-N 305.382 -0.066 30 20 DBED N#CCNCCCCCCNC(=O)C1CC2(C1)NC(=O)NC2=O 1179801931 WKLMNFXSEGJWNL-UHFFFAOYSA-N 321.381 -0.236 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)COC2CCCC2)C1 1181170280 ZXMHBFKTOKVEKX-CYBMUJFWSA-N 307.394 -0.115 30 20 DBED C#CCNCc1cn([C@H]2CCCN(C(=O)CC(=O)NC)C2)nn1 1185925696 TWOQASOPYIZBQZ-ZDUSSCGKSA-N 318.381 -0.700 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)[C@@H]2COCCN2C(C)=O)C1 1187962015 YBWRLGJVFWFSPL-CABCVRRESA-N 323.393 -0.926 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC[C@H](N(C)Cc2nnn(C)n2)C1 1189918436 QIMMLJQMGKSUQZ-SMDDNHRTSA-N 308.386 -0.430 30 20 DBED C=CCCO[C@H](C)C(=O)N[C@@H]1CN(CCOCCO)C[C@H]1O 1191615479 XTQKQYNTIRAMFS-MGPQQGTHSA-N 316.398 -0.862 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)Cc2ccccc2)C1 1194152294 XAYMNPPVNPCXIB-HUUCEWRRSA-N 317.389 -0.307 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@]23CCCC[C@@H]2C3)C1 1196003500 DXORUBWWIXNXDP-VMUDFCTBSA-N 319.405 -0.523 30 20 DBED C=CCNC(=O)CNC[C@H]1CN(C(=O)c2ccon2)CCCO1 1199988301 GVEZQXLITNNFEE-LBPRGKRZSA-N 322.365 -0.203 30 20 DBED C=CCOCC(=O)N1CCCO[C@@H](CNCc2ncnn2C)C1 1200109648 ZDRIARSMOBREQR-ZDUSSCGKSA-N 323.397 -0.275 30 20 DBED C#CCNC[C@H]1CN(C(=O)c2cn(CCOC)nn2)CCCO1 1200479367 QMHVFKJFEZMXHF-ZDUSSCGKSA-N 321.381 -0.622 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)[C@H](C)N2CCOCC2)CCCO1 1202244034 RZNILHQEPWOBJR-JKSUJKDBSA-N 323.437 -0.063 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1NC(=O)CCCN1C(=O)CCC1=O 1207351113 BKGRIROHIBDCHU-VXGBXAGGSA-N 306.366 -0.124 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)c2n[nH]c(C)c2C)C1 1207714294 KJCDGSOTJCAIGM-CYBMUJFWSA-N 317.393 -0.030 30 20 DBED CC#CCN1C[C@@H](NC(=O)CCS(=O)(=O)N(C)C)[C@H](C)C1 1211268683 URNTXVFIJIGBPD-CHWSQXEVSA-N 315.439 -0.272 30 20 DBED C=CCCCN[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)C[C@H]1C 1216709065 RRCPXPKCZJFOHA-VXGBXAGGSA-N 308.382 -0.059 30 20 DBED COCC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1ccn(C)n1 1219032146 RZCUHRDFOKRZER-LSDHHAIUSA-N 318.377 -0.405 30 20 DBED CCCC[C@H](NC(N)=O)C(=O)N1CCO[C@@H]2CN(CC#N)C[C@@H]21 1219069099 YKQFCAWCTQYMET-RWMBFGLXSA-N 323.397 -0.351 30 20 DBED CCn1nc(C)c(CN2C[C@H](O)[C@H](NC(=O)C#CC3CC3)C2)n1 1219591871 YHVDEFOVUPPMIX-CABCVRRESA-N 317.393 -0.319 30 20 DBED CN(C)CCC(=O)N1C[C@H]2CCN(CC(=O)NCC#N)C[C@H]21 1221787942 DCMNAYAHWUPDEI-CHWSQXEVSA-N 307.398 -0.889 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]2CCN(CC(=O)NCC#N)[C@H]2C1 1222441968 AISNWHUEFHNSDV-XQQFMLRXSA-N 303.366 -0.291 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCC 1225779421 PIQYNZPJEHSFKS-CHWSQXEVSA-N 322.409 -0.721 30 20 DBED N#CCNC(=O)CN1CCC(NC(=O)COCC(F)F)CC1 1228448899 VLWATMKNCUHBMM-UHFFFAOYSA-N 318.324 -0.512 30 20 DBED Cc1nc[nH]c1C(=O)NC1CCN(CC(=O)NCC#N)CC1 1230467050 UMRDOUNAGFIXAO-UHFFFAOYSA-N 304.354 -0.448 30 20 DBED CN(C[C@H]1CCN1[C@H]1CCC(=O)NC1=O)C(=O)CSCC#N 1230814345 BSLXXNXCODUCDV-MNOVXSKESA-N 324.406 -0.419 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@H]1CN(C)C(=O)c1cc[nH]n1 1230824141 TWVKWQRDVPPZMI-NEPJUHHUSA-N 303.366 -0.306 30 20 DBED Cc1nc(C(=O)N(C)C[C@H]2CCN2CC(=O)NCC#N)co1 1233867033 XFGKOQPUEOUWLX-LLVKDONJSA-N 305.338 -0.231 30 20 DBED C=CCNC(=O)[C@H](C)N1CC[C@@H]1CN(C)C(=O)c1ncn(C)n1 1234058191 GXNCPSZOIGXRPC-NWDGAFQWSA-N 320.397 -0.348 30 20 DBED C=C(Br)CNC(=O)C(=O)NC[C@]1(OC)CCOC1 1261186566 KBIBVZDDJFBYDG-LLVKDONJSA-N 321.171 -0.067 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)N2CCC[C@H]2CO)CCN1C1CC1 1261849489 IGKSYOOHKCTEFN-STQMWFEESA-N 306.366 -0.832 30 20 DBED N#CCn1cc(NC(=O)C(=O)N2CCC3(C2)OCCO3)cn1 1319786742 HOFHHCNAZIKUCV-UHFFFAOYSA-N 305.294 -0.679 30 20 DBED C[C@@]1(CCCC(=O)OCC(=O)NCCC#N)NC(=O)NC1=O 1321752872 USFCWYMLDSCZHB-ZDUSSCGKSA-N 310.310 -0.672 30 20 DBED C=C(C)COCCNC(=O)C(=O)NCc1cc(C(N)=O)no1 1323090361 PITMFZGIXWHDFF-UHFFFAOYSA-N 310.310 -0.901 30 20 DBED COc1cc(NC(=O)C(=O)NCC(=O)NCC#N)ccc1F 1323122824 WSLIFFZFEKOFDW-UHFFFAOYSA-N 308.269 -0.471 30 20 DBED C=C[C@H]1CCCCN1C(=O)C(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 1325096339 BMHXDEUHCSBKAM-WDEREUQCSA-N 320.349 -0.684 30 20 DBED CC#CC[C@@H](CO)NC(=O)C(=O)Nc1cccc(C(N)=O)c1C 1326088863 ZBTOAJAHYDAFNY-NSHDSACASA-N 317.345 -0.077 30 20 DBED C#CCSCCNC(=O)C(=O)N1CCC[C@H](n2ccnn2)C1 1328098721 PKOACQLSJUIJKY-LBPRGKRZSA-N 321.406 -0.076 30 20 DBED C=CC[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)C1 1328147868 YXSQQLVNHLXSDD-FRRDWIJNSA-N 323.393 -0.050 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)C(=O)N2CCc3ncsc3C2)C1 1328425216 GKGOQQPYPRKOQO-CQSZACIVSA-N 320.374 -0.095 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)NCCNC(=O)C1CC1 1330073409 BIRJVMCRFYDBLZ-LBPRGKRZSA-N 309.366 -0.827 30 20 DBED CC(C)NCCCNC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1331306129 JOGOMMCFYAOPOR-AWEZNQCLSA-N 321.425 -0.311 30 20 DBED O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)NCC1CC1 1340309829 YVERJGYCIKPYBO-VAWYXSNFSA-N 306.322 -0.845 30 20 DBED CN1CC[C@H](C(=O)N=C2NS(=O)(=O)c3ccccc32)C1=O 1342913692 BGUBWWMFAWHCGV-SECBINFHSA-N 307.331 -0.270 30 20 DBED C#CCCCNC(=O)[C@@H]1[C@@H](c2cnn(C)c2)N(C)C(=O)[C@@H]1O 1346984523 CNZJPCKBKFEQFW-JHJVBQTASA-N 304.350 -0.560 30 20 DBED C=CCNC(=O)Cn1nnnc1N1CC[C@H](C)[S@](=O)CC1 1355581652 IXGWYGVITPLMJW-CHNSCGDPSA-N 312.399 -0.677 30 20 DBED C[C@@]1(CO)CCCN(C(=O)Cn2cc(C#N)c(O)nc2=O)C1 1362663910 LYYZLAYWNNPLSX-CQSZACIVSA-N 306.322 -0.558 30 20 DBED CN(CCCc1[nH]nc(N)c1C#N)C[C@H](O)C[C@@]1(O)CCOC1 1363796905 ZHUJWRQKAKUAMJ-ABAIWWIYSA-N 323.397 -0.370 30 20 DBED Cc1cc(NC(=O)NCCn2cc(C#N)c(O)nc2=O)n(C)n1 1364083741 QABZORKTPUSMPA-UHFFFAOYSA-N 317.309 -0.316 30 20 DBED CS(=O)(=O)CC(=O)N[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 1372230108 JKDFCTMJECIAPA-JTQLQIEISA-N 324.362 -0.738 30 20 DBED COCCN(CCNC(=O)[C@H](C)C#N)[C@H](C)c1nnnn1C 1380106983 VNXMEXJWKTWGRF-GHMZBOCLSA-N 309.374 -0.505 30 20 DBED CN(C[C@@H](O)CNC(=O)c1c[nH]c(C#N)c1)C(=O)CC(C)(C)O 1382976231 XQDSFTZGJDUASW-LBPRGKRZSA-N 322.365 -0.404 30 20 DBED COCCN(CCNC(=O)[C@H]1CCC(=O)N1C)C(=O)[C@H](C)C#N 1413527892 KNWAVEFDOIFDQL-VXGBXAGGSA-N 324.381 -0.642 30 20 DBED CC(=O)NC1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 1414210332 RGMURGRUTRCPEK-LBPRGKRZSA-N 316.383 -0.944 30 20 DBED CC(=O)NCC(=O)NCC1(O)CN(Cc2ccccc2C#N)C1 1421402425 LKAJBYKVXXEXOD-UHFFFAOYSA-N 316.361 -0.643 30 20 DBED CC(=O)N(C)CC(=O)N1C[C@H]2CCN(C(=O)[C@@H](C)C#N)C[C@H]2C1 1429207067 YMFNUFRGGJSDLT-YUTCNCBUSA-N 320.393 -0.069 30 20 DBED CN(CCNC(=O)CNC(=O)C1CC1)C(=O)c1c[nH]c(C#N)c1 1431158587 ZUDJRJLLERGTJD-UHFFFAOYSA-N 317.349 -0.399 30 20 DBED COC[C@@H](C)C(=O)NC[C@H](O)CNC(=O)c1ccc(C#N)[nH]1 1431489223 BEBVMVFJMGEYAU-KOLCDFICSA-N 308.338 -0.624 30 20 DBED N#Cc1c[nH]c(=O)n(CC(=O)NCCc2ccc(F)cc2)c1=O 1434455011 WBAACULYDVUGCI-UHFFFAOYSA-N 316.292 -0.094 30 20 DBED C=C(Cl)CN1CC[C@](O)(CNC(=O)[C@@H]2CCC(=O)N2C)C1 1439999161 LCAIQECSUWHPLK-FZMZJTMJSA-N 315.801 -0.087 30 20 DBED C[C@H](C#N)C(=O)N(C)CC(C)(C)CNC(=O)CS(C)(=O)=O 1442615495 WGSPKGOYIVPANE-SNVBAGLBSA-N 317.411 -0.209 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCN(C)C(=O)c1cn(C)c(=O)n1C 1452162396 QGCQLJZBJYGAKQ-JTQLQIEISA-N 307.354 -0.586 30 20 DBED C[C@H](C#N)C(=O)N(C)CCN(C)C(=O)[C@H]1CCc2nncn2C1 1457800851 YBPTWWFWUZXDFA-NEPJUHHUSA-N 318.381 -0.083 30 20 DBED Cn1c(=O)[nH]c(NC[C@H]2CN3CCC[C@H]3CO2)c(C#N)c1=O 1472677092 GONFWBVIUWVWLS-UWVGGRQHSA-N 305.338 -0.780 30 20 DBED Cc1ccnc2nc(C(=O)NCCN(C)C(=O)[C@@H](C)C#N)nn12 1496575796 MGOJQMXDUXGRSC-VIFPVBQESA-N 315.337 -0.219 30 20 DBED CN1C(=O)COc2ccc(C(=O)N3CCNC[C@@H]3C#N)cc21 1578514425 HTSGXSPDQQSQBB-NSHDSACASA-N 300.318 -0.021 30 20 DBED N#CCNC(=O)CNC(=O)c1[nH]c2ccccc2c1-c1nn[nH]n1 1581858185 UQJPBEGHYCVYEH-UHFFFAOYSA-N 324.304 -0.282 30 20 DBED C#CC[C@H](NC(=O)c1coc(S(=O)(=O)NC)c1)C(=O)O 1588422191 SVJOIGOHELREMI-QMMMGPOBSA-N 300.292 -0.606 30 20 DBED C#CC[C@H](NS(=O)(=O)c1cc(C(=O)O)n(C)c1)C(=O)OC 1588423695 OFAADZGDYKUEDE-VIFPVBQESA-N 314.319 -0.434 30 20 DBED CO[C@@]1(C(=O)O)CCN(C(=O)C(=O)Nc2ccc(C#N)cn2)C1 1599066685 GAJQXUWJJNPDOZ-AWEZNQCLSA-N 318.289 -0.406 30 20 DBED CCC(=O)N1CC[C@H](Nc2cnc(-c3nn[nH]n3)c(C#N)n2)C1 1603968738 DVJUAASDIXYOJM-QMMMGPOBSA-N 313.325 -0.049 30 20 DBED N#CCSCC(=O)NC1(CNC(=O)[C@H]2C[C@@H]2C(=O)O)CC1 1608187411 XRJDSPRPOAPWBJ-IUCAKERBSA-N 311.363 -0.271 30 20 DBED CCN(C[C@H](C)C#N)C(=O)COC(=O)COCc1nncn1C 1645803020 ONTQMXVGELEWGB-LLVKDONJSA-N 323.353 -0.117 30 20 DBED N#Cc1ncccc1S(=O)(=O)NC[C@H](O)CN1CCCC1=O 1649772653 FJODXCUXVPWUIR-JTQLQIEISA-N 324.362 -0.785 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)CC[C@H]2CCCO2)C1 1713816583 IBBJUBRJNZILOB-UONOGXRCSA-N 307.394 -0.115 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@@H](NC(=O)C2(N(C)C)CCC2)C1 1713971949 LHTZPEQNBPDZRG-UONOGXRCSA-N 320.437 -0.201 30 20 DBED C=CCNC(=O)CN(CC)CCNC(=O)[C@H]1CCN(C)C(=O)C1 1753084921 IHQDNAJDVUKZAS-ZDUSSCGKSA-N 324.425 -0.405 30 20 DBED CN(CC(=O)NCC#N)C[C@H]1CCN(C(=O)Cc2ccc[nH]2)C1 1753359880 MXIDSQRICKRWNB-CYBMUJFWSA-N 317.393 -0.023 30 20 DBED CC#CCN1CCO[C@H](CNC(=O)CCc2cnn(C)n2)C1 1753654185 QFPJAPOYBIVTQA-CQSZACIVSA-N 305.382 -0.412 30 20 DBED N#CCNC[C@H]1CCC[C@H]1NC(=O)Cn1ccc(O)nc1=O 1753888077 HXRMZXRBQRGUSO-GHMZBOCLSA-N 305.338 -0.653 30 20 DBED C=C(C)CNCCCN(C)C(=O)c1cn(CC(=O)N(C)C)nn1 1754416800 TYRTUJXLRPVFSJ-UHFFFAOYSA-N 322.413 -0.006 30 20 DBED C=C(C)CN(CC)C(=O)[C@@H](C)NC[C@H](NC(=O)C(N)=O)C1CC1 1754451018 ZERPIMBXLCYRCL-YPMHNXCESA-N 324.425 -0.231 30 20 DBED C#CCNC(=O)CN1CC[C@](C)(NC(=O)CCc2ccon2)C1 1754676641 PDJRAXANKFPZFV-INIZCTEOSA-N 318.377 -0.063 30 20 DBED C[C@H]1CN(C(=O)CCNS(C)(=O)=O)C[C@@H]1CNCC#N 1754817065 JPHVRTKOUZCQDC-QWRGUYRKSA-N 302.400 -0.867 30 20 DBED C=CCCNC[C@H]1CN(C(=O)C2CS(=O)(=O)C2)CCO1 1755000501 MZALNZUUXDWTDW-LBPRGKRZSA-N 302.396 -0.576 30 20 DBED CNC(=O)[C@@H](C)N1CCC(CO)(NC(=O)C#CC(C)C)CC1 1755177146 GLVJMGRJPMYPHG-CYBMUJFWSA-N 309.410 -0.277 30 20 DBED C#CCNC(=O)CN[C@H](C)CN(C)C(=O)c1c[nH]c(C#N)c1 1755582631 XVKCIUNPDZYVLD-LLVKDONJSA-N 301.350 -0.314 30 20 DBED C#CCNC(=O)CN[C@@H](CO)CNC(=O)[C@@H]1C[C@H]1C(C)(C)C 1755633199 PHWXIPBGUHAGJO-JHJVBQTASA-N 309.410 -0.515 30 20 DBED CCO[C@@H](C)C(=O)N(C)C[C@@H](O)CN(C)CC#CCOC 1755797389 AYPVOGIONQZXSS-KBPBESRZSA-N 300.399 -0.188 30 20 DBED COC(=O)NCC(=O)NC[C@H](C)N(C)C(=O)CSCC#N 1756005713 LGHLNVKEOPLFHZ-VIFPVBQESA-N 316.383 -0.438 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](CO)CNC(=O)c1cccnc1 1756500924 HPWYCNDUWAJSIX-MCIONIFRSA-N 319.361 -0.120 30 20 DBED C#CCCCC(=O)NC[C@H](CO)NC(=O)c1ccc(C(N)=O)o1 1756515827 QEJFDQUOQFRLDO-SNVBAGLBSA-N 321.333 -0.611 30 20 DBED CO[C@@H]1CN(C(=O)c2ncccn2)C[C@H]1NC(=O)C#CC1CC1 1757127917 LJUCUZIMFIDGPA-CHWSQXEVSA-N 314.345 -0.154 30 20 DBED C#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)CN)[C@H]2C1 1786790277 KFUHZEXQGUZJNK-AJNGGQMLSA-N 321.421 -0.026 30 20 DBED CCC(=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC#N 1795420650 QUHSVDLUIHPDLY-GNXNZQSNSA-N 307.350 -0.141 30 20 DBED CC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1835196172 ODUDBOAMYGXVPS-INIZCTEOSA-N 306.362 -0.124 30 20 DBED C#CC(=O)N1CCCC12CN(C(=O)c1cc(O)nc(O)c1)C2 1845958937 OPXPRVCPSLWXMU-UHFFFAOYSA-N 301.302 -0.057 30 20 DBED C#CCNC(=O)CNS(=O)(=O)c1ccc(NC(C)=O)cc1 45903326 VTOGAAZMCJFHSM-UHFFFAOYSA-N 309.347 -0.327 30 20 DBED N#C[C@H]1CN(S(=O)(=O)C2CCS(=O)(=O)CC2)CCO1 113199125 CQOKDJXOOWAWEJ-VIFPVBQESA-N 308.381 -0.882 30 20 DBED CN(CCCc1n[nH]c(N)c1C#N)CCN1C(=O)CNC1=O 162699485 LKFGSVLIXBHSMJ-UHFFFAOYSA-N 305.342 -0.720 30 20 DBED Cn1cnn(CC(=O)N(CCC#N)Cc2cccnc2)c1=O 179457504 ZQIRATYOTGOECJ-UHFFFAOYSA-N 300.322 -0.081 30 20 DBED C=C[C@H](CC)OC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 181207453 GPWUZYGVGHMRCX-SECBINFHSA-N 306.322 -0.059 30 20 DBED COC(=O)c1coc(S(=O)(=O)N2CCN(CC#N)CC2)c1 270061681 XAEGAABTCGUPQV-UHFFFAOYSA-N 313.335 -0.104 30 20 DBED Cc1cccc(=O)n1C[C@](C)(O)C(=O)N1CCO[C@@H](C#N)C1 280758571 COQIDGVCJQSCBJ-WFASDCNBSA-N 305.334 -0.341 30 20 DBED C#CCN(C)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C 282394005 DVGXPNZZAYJILC-UHFFFAOYSA-N 301.306 -0.271 30 20 DBED C=CCCN(C)C(=O)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O 288418226 GWDKIMMBFSTESV-LBPRGKRZSA-N 319.365 -0.324 30 20 DBED CC[C@]1(C)NC(=O)N(NS(=O)(=O)N(C)C[C@@H](C)C#N)C1=O 289257380 UYPAYBZDIKEFGZ-KWQFWETISA-N 317.371 -0.452 30 20 DBED C[C@H]1C(=O)NCCN1CCS(=O)(=O)c1ccc(C#N)cn1 290332399 OYWOCBXWENHDBV-JTQLQIEISA-N 308.363 -0.453 30 20 DBED CN1CCN(C)[C@H](CN/C(O)=N/CCN2CCN=C(O)C2)C1 329259892 AKDDJWDLHPANHV-GFCCVEGCSA-N 312.418 -0.992 30 20 DBED CN1CCO[C@@H]2CN(S(=O)(=O)c3cccnc3C#N)C[C@@H]21 330303683 KASJBSQIWXCBSH-NWDGAFQWSA-N 308.363 -0.343 30 20 DBED CC[C@H]1CN(C(=O)Cn2cnc(C#N)n2)CCN1C[C@@H](C)O 331183172 ZZFSQZMGGOOOCP-NEPJUHHUSA-N 306.370 -0.547 30 20 DBED C[C@@H]1COCCN1CCNS(=O)(=O)c1cccnc1C#N 331190707 VFRLQBZXUCKYKJ-LLVKDONJSA-N 310.379 -0.048 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N[C@@H]1CC(=O)N(C2CC2)C1 331777325 ORDZWYFQMRHZFQ-NXEZZACHSA-N 300.384 -0.182 30 20 DBED N#C[C@@H]1CN(C(=O)CNC(=O)c2ccc3c(c2)OCO3)CCO1 332083132 BFKJVUYLBCWABO-LLVKDONJSA-N 317.301 -0.104 30 20 DBED CC[C@]1(C)COCCN1S(=O)(=O)N1CCO[C@@H](C#N)C1 336943428 LITXJELNGGDOEO-NWDGAFQWSA-N 303.384 -0.044 30 20 DBED CSC[C@@H](CCO)NS(=O)(=O)N1CCO[C@@H](C#N)C1 337072417 PKXQBTWRQJPLNQ-ZJUUUORDSA-N 309.413 -0.841 30 20 DBED C=C(C)COCCNS(=O)(=O)CCNS(=O)(=O)CC 353698953 ZXQOIHJPQSLQPJ-UHFFFAOYSA-N 314.429 -0.562 30 20 DBED COC(=O)CN(CC#N)S(=O)(=O)c1c(C)nn(C)c1C 355427160 JWSZIYVEFXLVFV-UHFFFAOYSA-N 300.340 -0.276 30 20 DBED C[C@@H](C(=O)N(CCC#N)CCN1CCOCC1)S(C)(=O)=O 358989973 KWLQPIBGHKWAHA-LBPRGKRZSA-N 317.411 -0.506 30 20 DBED CS(=O)(=O)C1(CNC(=O)N2CCO[C@@H](C#N)C2)CCC1 408306880 RFNPOUOBCMXZOL-JTQLQIEISA-N 301.368 -0.112 30 20 DBED C#CCNC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(CC)C2)CC1 491047898 WAHDBTWHMSLMPO-CYBMUJFWSA-N 305.378 -0.157 30 20 DBED CCS(=O)(=O)NCCNCc1cnc2c(C#N)cnn2c1 551241330 IZXFUHAUJZMVLA-UHFFFAOYSA-N 308.367 -0.370 30 20 DBED N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@@H]2CCC[C@H]2O)c1 556828679 NJSOIDFEGMDGPW-CHWSQXEVSA-N 323.374 -0.134 30 20 DBED Cn1nnc(C[S@](=O)CC(=O)Nc2cccc(C#N)c2)n1 569503640 PCDSGXHNNSLPRZ-NRFANRHFSA-N 304.335 -0.031 30 20 DBED CN(C)C[C@@H](CO)NC(=O)CNC(=O)c1ccc(C#N)cc1 588867055 VYRPFUFYKLUDQK-ZDUSSCGKSA-N 304.350 -0.673 30 20 DBED CNS(=O)(=O)[C@@H]1CCN(C(=O)Nc2nn(C)cc2C#N)C1 611007125 KUFVGHORZUEHCQ-SECBINFHSA-N 312.355 -0.553 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCNCC2(C)C)C1=O 644074021 XELNXDPKBGZYKK-UHFFFAOYSA-N 308.338 -0.826 30 20 DBED CC#CC[C@@H](CO)NC(=O)N[C@@H](CC)CNS(C)(=O)=O 645526442 YTROFDOYXHUMCF-QWRGUYRKSA-N 305.400 -0.612 30 20 DBED N#Cc1ccccc1OCCOC(=O)c1cn(CC(N)=O)nn1 745472154 HXLBNQDNELRQFF-UHFFFAOYSA-N 315.289 -0.129 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)Nc2ccnn2CC2CC2)CCO1 746393532 ADFDLVNOGZVDSC-LLVKDONJSA-N 303.322 -0.017 30 20 DBED C[C@H](C#N)COC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C 770947318 XQEWUXWLKULKCO-MRVPVSSYSA-N 302.290 -0.051 30 20 DBED N#Cc1ccc(NCCNC(=O)N2C[C@@H](O)C[C@H]2CO)nc1 776111289 FQGJNNBCQQZHED-RYUDHWBXSA-N 305.338 -0.498 30 20 DBED C#CCC[C@H](O)CNC(=O)N[C@H]1CCOC[C@H]1OCCOC 798460962 LBEPVVKTICOUHY-MELADBBJSA-N 314.382 -0.120 30 20 DBED C#CCCS(=O)(=O)NC(=O)Cn1c(C)c(C)sc1=O 810781361 PQTGWXSFOCJZKM-UHFFFAOYSA-N 302.377 -0.004 30 20 DBED CN1C(=O)CC[C@H](NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1=O 823905951 PDYYJIJTHLAVHL-RYUDHWBXSA-N 319.365 -0.484 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)CC(C)(C)CC(=O)O)CC1 833365815 SPFHINWKCUTXBS-UHFFFAOYSA-N 323.393 -0.229 30 20 DBED Cc1ccc2c(c1)C(=O)N(CC(=O)N[C@H]1CNC[C@@H]1C#N)C2=O 834511759 NUBXNUQMHCVOJX-GWCFXTLKSA-N 312.329 -0.181 30 20 DBED CN(CC(=O)N[C@@H]1CNC[C@H]1C#N)S(=O)(=O)c1ccccc1 834517286 TZRAKWHLWIHDJN-DGCLKSJQSA-N 322.390 -0.465 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N[C@@H]1CC(=O)N(CC)C1 836391023 DBDJZERIDLDHCC-SNVBAGLBSA-N 303.384 -0.493 30 20 DBED CCCN1C[C@H](C(=O)NS(=O)(=O)CC2(C#N)CC2)CC1=O 842334057 PSTFANBUMKBYCL-SNVBAGLBSA-N 313.379 -0.005 30 20 DBED C#CC[C@@H](CCOC)NC(=O)NC1CC(NS(C)(=O)=O)C1 858430420 VVTLDKHNMYJYQC-UNXYVOJBSA-N 317.411 -0.206 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)NC2CCCC2)CC1 871596482 IVCLXDIZRBZSOS-UHFFFAOYSA-N 314.411 -0.276 30 20 DBED C=CC(C)(C)CC(=O)N1CCN(C(=O)Cn2cnnn2)CC1 878178162 JFEPLWMGKRJKHF-UHFFFAOYSA-N 306.370 -0.054 30 20 DBED C#CC1(O)CN(C(=O)c2cccc(S(=O)(=O)NCC)c2)C1 890519137 GKPFOZVEWPTPIQ-UHFFFAOYSA-N 308.359 -0.195 30 20 DBED C#CC1(O)CN(C(=O)N[C@@H]2CCN(c3cc(C)nn3C)C2=O)C1 893304945 QOZNAXJIUIUEEB-LLVKDONJSA-N 317.349 -0.777 30 20 DBED COc1cc(C(=O)NCC#CCN(C)C)ccc1OCC(N)=O 913515678 IICOEJNQQMQIGD-UHFFFAOYSA-N 319.361 -0.146 30 20 DBED C[C@H](NS(=O)(=O)CC1(C#N)CC1)[C@@H]1CN(C)CCN1C 919992140 YXHVDMYGANERSG-RYUDHWBXSA-N 300.428 -0.156 30 20 DBED CC(C)(CNC(=O)NCC#CCO)[C@H]1COCC12OCCO2 923766209 GVAKZZUOTZZKHU-GFCCVEGCSA-N 312.366 -0.303 30 20 DBED C#Cc1ccc(C(=O)N(C)[C@H]2CCN(C(=O)CC(N)=O)C2)nc1 936955731 PKFDFPLSJOJNHF-LBPRGKRZSA-N 314.345 -0.389 30 20 DBED CN(C(=O)[C@@H]1CCC(=O)NC1)[C@H]1CCN(C(=O)C#CC2CC2)C1 937350582 WYPUPXBWBQTUHW-KGLIPLIRSA-N 317.389 -0.015 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](NC(=O)c2nnn(C(C)(C)C)n2)C1 940897955 BKSSJPMDHHLZHS-VHSXEESVSA-N 319.369 -0.082 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCCCN(C(=O)C(N)=O)C1 943283635 KQARUJAJZDUTSA-UPJWGTAASA-N 323.393 -0.050 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCN(CC(N)=O)C[C@@H]2C)nn1 943480924 HBIHYIJDVWRAIN-WDEREUQCSA-N 306.370 -0.610 30 20 DBED CN1C[C@@H](C(=O)NC[C@H]2CCCN2C(=O)C#CC2CC2)NC1=O 944009928 RPPJGQJMKFYTIZ-OLZOCXBDSA-N 318.377 -0.469 30 20 DBED O=C(NC[C@@H]1CCN1C(=O)C#CC1CC1)[C@H]1CCCS1(=O)=O 950264784 NJXASVBHNWZQBN-QWHCGFSZSA-N 324.402 -0.306 30 20 DBED CCN1CCO[C@H](C(=O)NC[C@H]2CCN2C(=O)C#CC2CC2)C1 950271405 LZJMCSJTBVTIHO-CABCVRRESA-N 319.405 -0.162 30 20 DBED CCN(C(=O)[C@H]1CC(=O)N(CCOC)C1)C1CN(CC#N)C1 950458494 ZJFQRPPGBOBLGW-LBPRGKRZSA-N 308.382 -0.462 30 20 DBED O=C1NCCC[C@@H]1C(=O)NC[C@H]1CCN1C(=O)C#CC1CC1 950496510 IEWSQRWESBTQCV-OLZOCXBDSA-N 303.362 -0.357 30 20 DBED C[C@H](C#N)C(=O)N1[C@H]2CCC[C@H]1CN(C(=O)[C@H]1CCNC1=O)C2 952759131 BSWSMEGMNVVYCG-VOAKCMCISA-N 318.377 -0.126 30 20 DBED CCN1C[C@@H](C(=O)N(C)C2CN(C(=O)[C@@H](C)C#N)C2)CC1=O 954485705 FTEFDSWDROAJRG-QWRGUYRKSA-N 306.366 -0.316 30 20 DBED C#CCCN1C[C@@H](O)[C@@H](CNC(=O)c2nccn3ccnc23)C1 958418893 XAIAHRSDXMULJH-QWHCGFSZSA-N 313.361 -0.225 30 20 DBED CC#CCN1C[C@@H](O)[C@H](CNC(=O)c2cnc(OCC)cn2)C1 958761883 ATWMCUXHQXCWRE-TZMCWYRMSA-N 318.377 -0.079 30 20 DBED CCn1ccnc1C(=O)N(C)[C@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1O 958834473 YFFAXIFCQMKJCL-SRVKXCTJSA-N 319.365 -0.294 30 20 DBED Cc1ccnc(C(=O)N(C)[C@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)n1 958835353 LJYZEKVBTVQRGR-DLOVCJGASA-N 317.349 -0.412 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)c1csnn1 964269580 UWSREMAAWOZOCL-BDAKNGLRSA-N 309.351 -0.345 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC2(CN(C(=O)c3ncn(C)n3)C2)C1 965470558 HXVGYLPMCIMPSL-JTQLQIEISA-N 318.337 -0.972 30 20 DBED Cn1cc(C(=O)NC2CC3(CC(NCC#N)C3)C2)c(O)nc1=O 965912918 VDPCNQOQUCWXJQ-UHFFFAOYSA-N 317.349 -0.360 30 20 DBED CCN(C(=O)[C@H]1CC[C@H]1C(N)=O)C1CN(C(=O)C#CC2CC2)C1 968207113 UMEQPDXQNVWWRV-KGLIPLIRSA-N 317.389 -0.029 30 20 DBED C#CCN1CC[C@@H](C)[C@@H](NC(=O)c2nc(O)nc(O)c2OC)C1 968539236 MTVCWRDJJKOIOG-ZJUUUORDSA-N 320.349 -0.030 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@]2(CN(Cc3cnn(C)n3)CCO2)C1 972298128 QICFWMSEYBFVGW-WFASDCNBSA-N 318.381 -0.222 30 20 DBED C#CCCN1CCO[C@@]2(CCN(C(=O)[C@]3(C)CNC(=O)C3)C2)C1 972479875 DLTGDYVUKZXHIV-IRXDYDNUSA-N 319.405 -0.161 30 20 DBED C=CCn1cc(C(=O)N2CC[C@@H](N(C)[C@H](C)C(N)=O)C2)nn1 972501657 QCCIHFBJMHBXJJ-GHMZBOCLSA-N 306.370 -0.516 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)CN3C(=O)CCC3=O)C2)C1 972669677 RHQRQFUXJQQMGU-INIZCTEOSA-N 319.361 -0.928 30 20 DBED C#Cc1cncc(C(=O)N[C@H]2C[C@H](NC(=O)c3cn(C)nn3)C2)c1 973235309 LHKRHHRJMZKXAN-JOCQHMNTSA-N 324.344 -0.118 30 20 DBED C=C[C@@](C)(CC)C(=O)N1C[C@H]2[C@H](NC(=O)Cn3ncnn3)[C@H]2C1 976558988 ZOJZELGQCPHWRZ-MDHDOXDCSA-N 318.381 -0.152 30 20 DBED C#CCN1C[C@H]2C[C@@H](NC(=O)Cn3cnnc3O)CC[C@H]2C1 979619398 QHWWJXKZVMZTQI-XQQFMLRXSA-N 303.366 -0.166 30 20 DBED C=CCN1CCCN(C(=O)Cn2ncn3nccc3c2=O)CC1 982070520 RDZBIGVOJWRNRM-UHFFFAOYSA-N 316.365 -0.389 30 20 DBED Cn1nnc(CNC[C@H]2C[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)n1 983495631 MMRWPMXPAYBNDC-HOMQSWHASA-N 314.353 -0.292 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CCCCCN(C(=O)C(N)=O)C2)c[nH]1 987139997 MYAYJLDCOAEFIA-LLVKDONJSA-N 317.349 -0.127 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CCN(C(=O)CC(N)=O)C[C@H]2O)C1 991756419 YZAROJQLPBUMGM-GHMZBOCLSA-N 309.366 -0.704 30 20 DBED O=C(Cc1cnc[nH]1)N[C@@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1O 991801798 CMCFWCSNWDERHF-KGLIPLIRSA-N 316.361 -0.556 30 20 DBED N#CCN1CC[C@@]2(NC(=O)C3CC(=O)NC(=O)C3)CCC[C@@H]12 992333453 WHQRWLRYXHVWPA-ABAIWWIYSA-N 304.350 -0.324 30 20 DBED C#Cc1ccc(C(=O)N2CC(NC(=O)c3cnnc(O)c3)C2)nc1 994046396 BTBPLMSAAJAQAA-UHFFFAOYSA-N 323.312 -0.187 30 20 DBED C#Cc1cncc(C(=O)NC2CN(C(=O)c3cnn(C)n3)C2)c1 999301433 BOZUJCRCJHYDTG-UHFFFAOYSA-N 310.317 -0.554 30 20 DBED N#CCN[C@H]1CCCN(C(=O)Cc2ccc(C(N)=O)nc2)C1 999492601 IAXSIDBWWKEQPT-LBPRGKRZSA-N 301.350 -0.173 30 20 DBED CN(C)C(=O)[C@@H]1CC[C@H](C(=O)NC2CCN(CC#N)CC2)O1 1003615761 SHPAPVNGKQEZLQ-OLZOCXBDSA-N 308.382 -0.274 30 20 DBED C=C1CC(C)(C(=O)N2CC(CNC(=O)c3nnn(C)n3)C2)C1 1003707517 DLAMSMGKQGNKBC-UHFFFAOYSA-N 304.354 -0.245 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@]2(CN(C(=O)c3cnon3)CCO2)C1 1007714088 VFKQNVQDXDJAIG-IINYFYTJSA-N 319.321 -0.327 30 20 DBED C[C@@H]1C[C@@H](CNC(=O)c2nnn(C)n2)CN1C(=O)C#CC1CC1 1010157084 FVGVVPXHPDPQOI-PWSUYJOCSA-N 316.365 -0.410 30 20 DBED C=CCCN1CC[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 1015788873 LQXTZGIJURBWIJ-LLVKDONJSA-N 306.366 -0.536 30 20 DBED Cc1cc2[nH]c(=O)c(C(=O)N[C@@H]3CCN(CC#N)C3)cn2n1 1015844556 VKTFQRPLSKKDJY-SNVBAGLBSA-N 300.322 -0.341 30 20 DBED C=CCCn1cc(C(=O)N(C)C2CC(NC(=O)C(N)=O)C2)nn1 1016562475 MXVBJDRUBIVJMV-UHFFFAOYSA-N 320.353 -0.941 30 20 DBED N#CCN1[C@H]2CC[C@H]1CN(C(=O)C1CCN(C(N)=O)CC1)C2 1029578810 YVLWVGFHZZKLLA-STQMWFEESA-N 305.382 -0.024 30 20 DBED N#Cc1ccc(C(=O)NC2CN(CCN3C(=O)CCC3=O)C2)[nH]1 1030223209 SUAGZKQVVRURDR-UHFFFAOYSA-N 315.333 -0.551 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)[C@@H]2CCN(C)S2(=O)=O)C1 1033502382 PIYMBMWNUBCSGB-RYUDHWBXSA-N 301.412 -0.261 30 20 DBED N#CCN1CCO[C@H](CNC(=O)c2cnc3[nH]ncc3c2)C1 1035412872 XUEFUIQDPJYVGF-GFCCVEGCSA-N 300.322 -0.088 30 20 DBED C#CCN1CCO[C@H](CNC(=O)[C@H]2CCc3nccn3C2)C1 1035418080 AFDNOHQDFMCIDC-UONOGXRCSA-N 302.378 -0.104 30 20 DBED CC#CCN1CCO[C@H](CNC(=O)c2ccoc2CC(N)=O)C1 1035486075 WRRNQCHXHXCQKL-GFCCVEGCSA-N 319.361 -0.239 30 20 DBED CC#CCN1CCO[C@@H](CNC(=O)c2cccc(=O)n2C)C1 1035502944 VMHUDAKINQOLLQ-ZDUSSCGKSA-N 303.362 -0.161 30 20 DBED C=CCN[C@H]1CCN(C(=O)CN2CCC(=O)NC2=O)C[C@@H]1C 1036248401 AXJVUPUBPYDICW-RYUDHWBXSA-N 308.382 -0.059 30 20 DBED C#CCN[C@H]1CCN(C(=O)Cn2c(O)nnc2O)C[C@H]1CC 1037970882 VMPDGGDXZVKYQV-MNOVXSKESA-N 307.354 -0.461 30 20 DBED C#CCN1CC[C@H]1CNC(=O)c1cnc2c(c1)NC(=O)CO2 1038471655 AFDYIJDFSJZKMA-NSHDSACASA-N 300.318 -0.150 30 20 DBED Cc1nc(C(=O)NC[C@@H]2CCN2CC#N)nn1-c1nc[nH]n1 1038576149 QGLDXGUCPIMXEJ-VIFPVBQESA-N 301.314 -0.979 30 20 DBED C[C@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)C2=COCCO2)C1 1040764795 ZEYCBIWMXKEOTD-QMTHXVAHSA-N 309.322 -0.886 30 20 DBED Cc1cncn1CC(=O)N1CC[C@](O)(CNC(=O)[C@@H](C)C#N)C1 1040766357 OMDHPPMJRIZPBJ-NHYWBVRUSA-N 319.365 -0.569 30 20 DBED CO[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2ccc(C#N)[nH]2)C1 1041758062 DKAYEBRNRBIXKL-VIFPVBQESA-N 306.322 -0.776 30 20 DBED CC#CCN1CC[C@]2(CCN(C(=O)Cn3c(O)nnc3O)C2)C1 1041804650 AKZPEVZOAOLTKJ-HNNXBMFYSA-N 319.365 -0.363 30 20 DBED C#CCC1(C(=O)N2CC(O)(CNC(=O)CC(=O)NC)C2)CCC1 1042727353 HFJPGAMHVOEVKL-UHFFFAOYSA-N 321.377 -0.994 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)CCc2ncc[nH]2)C1 1042823973 URFARSZNWJKECW-JTQLQIEISA-N 305.338 -0.809 30 20 DBED O=C(C#CC1CC1)NCC1(O)CN(C(=O)CCn2cccc2)C1 1042961379 WIICRUSREPMDDA-UHFFFAOYSA-N 315.373 -0.019 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)[C@@H]2CCCOC2)C1 1043039897 KOGZNBNNTYSKMC-QWHCGFSZSA-N 324.377 -0.859 30 20 DBED C=CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2ocnc2C)C1 1043568754 BWMRXVXUVBAVGG-NSHDSACASA-N 323.349 -0.123 30 20 DBED C=CCN1CC[C@@H](N2CC(N(C)C(=O)Cc3cnc[nH]3)C2)C1=O 1043975742 FAEOPYKXNKMBBJ-CQSZACIVSA-N 317.393 -0.118 30 20 DBED Cc1cc(=O)c(C(=O)N2CC(O)(CNC(=O)[C@H](C)C#N)C2)c[nH]1 1045546682 PMKMNAYGAGACFI-SECBINFHSA-N 318.333 -0.854 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C2CC2)N2CCOCC2)C1 1047637066 NCOYKPMWRXKRQZ-HRCADAONSA-N 321.421 -0.766 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCSC)C1 1048176548 DPNQSHWHQHGUSR-RYUDHWBXSA-N 316.423 -0.028 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCn2cccn2)C1 1048285387 NPHPGUNZXGNPOJ-AGIUHOORSA-N 319.365 -0.537 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)OC)C1 1048432312 JEBNQWXTGXRGFD-VOAKCMCISA-N 312.366 -0.910 30 20 DBED C=CCO[C@@H](C)C(=O)N(C)[C@H]1CN(C(=O)c2cc[nH]n2)C[C@@H]1O 1049010635 DZZHVCLMVVOMCQ-DRZSPHRISA-N 322.365 -0.356 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)Cc2cnn(C)c2)C[C@@H]1O 1049389104 TWLKWRWUHDVFIK-DRZSPHRISA-N 319.365 -0.848 30 20 DBED N#CCN1CCOC[C@H]1CNC(=O)c1ccc2nc[nH]c2n1 1050979443 UUOSYDDCAOKFPJ-SNVBAGLBSA-N 300.322 -0.088 30 20 DBED CC#CCN1CCOC[C@@H]1CNC(=O)c1ccc(N(C)C)nn1 1051212057 KRRVFHWIRXXBLT-ZDUSSCGKSA-N 317.393 -0.004 30 20 DBED C=CCN1CCN([C@H]2CCN(C(=O)c3cc(=O)n(C)o3)C2)CC1 1052019321 YPLLWKJJWOBEOF-ZDUSSCGKSA-N 320.393 -0.004 30 20 DBED C#CCCN1CCN([C@H]2CCN(C(=O)c3nc[nH]n3)C2)CC1 1052098289 IAYMFUJITIQTPE-ZDUSSCGKSA-N 302.382 -0.340 30 20 DBED C[C@@H]1CN(C(=O)CCNC(N)=O)C[C@H]1CNC(=O)C#CC1CC1 1052574187 YWSHEQRGYMYJKA-DGCLKSJQSA-N 320.393 -0.331 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)CNC(=O)NC)C[C@H]1C 1052776666 QZKJIJAEBMJCCM-OLZOCXBDSA-N 322.409 -0.070 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)c1cc(=O)n(C)o1)CCO2 1053233914 JYRVDCLAEQJOML-UHFFFAOYSA-N 305.334 -0.472 30 20 DBED C#CCOCCC(=O)NC[C@H]1CN(C(=O)c2cnon2)C[C@@H]1C 1053238787 BOTVQYSBZMGINS-RYUDHWBXSA-N 320.349 -0.066 30 20 DBED CC(=O)N1CCC[C@@H]1C(=O)N1CCOC2(CN(CC#N)C2)C1 1053545207 PWMLEXYXCBSJRK-CYBMUJFWSA-N 306.366 -0.566 30 20 DBED N#CCN1CC2(CC[C@H](CNC(=O)[C@H]3CCC(=O)NC3)O2)C1 1053620479 MYGCWDPGNCLIKP-NWDGAFQWSA-N 306.366 -0.614 30 20 DBED C=C(C)CCN1CC2(C[C@H](NC(=O)Cn3cnnc3O)CO2)C1 1053782671 YVRSFBFZKBVBGR-LBPRGKRZSA-N 321.381 -0.091 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)c3ccc4nn[nH]c4n3)CO2)C1 1053823319 JLRAFYYDSDJLNY-SNVBAGLBSA-N 312.333 -0.441 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)c3cnn(CCOC)c3)CO2)C1 1053994604 JKDSYBIGBGCZKP-CQSZACIVSA-N 318.377 -0.264 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)c3ccc(C(N)=O)nc3)CO2)C1 1054024442 PRWHPYUTTNTLIK-GFCCVEGCSA-N 314.345 -0.613 30 20 DBED CN1CC[C@@H](C(=O)N2CCN(c3cnc(C#N)cn3)CC2)C1 1055818689 RMCVJQPKTGBFFO-GFCCVEGCSA-N 300.366 -0.051 30 20 DBED N#Cc1nccc(N2CCN(C(=O)c3cnnc(O)c3)CC2)n1 1055932672 YVCHZCYJLUSEFM-UHFFFAOYSA-N 311.305 -0.194 30 20 DBED Cn1cnc(C(=O)N[C@H]2[C@@H]3CN(c4cncc(C#N)n4)C[C@@H]32)c1 1056186909 PLFKZQULNDFVOI-YABSGUDNSA-N 309.333 -0.054 30 20 DBED N#Cc1cc(C(=O)NCCN(CCO)C(=O)C(F)F)c[nH]1 1056745486 JSTCJKCXPVTVIG-UHFFFAOYSA-N 300.265 -0.298 30 20 DBED C[C@@]1(C(=O)N[C@@H]2CCN(c3ccnc(C#N)n3)C2)CCNC1=O 1058541625 PIHMREUEJIHIBJ-MEBBXXQBSA-N 314.349 -0.431 30 20 DBED CN1C[C@@H](C(=O)N2CC[C@H](Nc3nccnc3C#N)C2)CC1=O 1059097752 OMVBYYUBOPSDML-QWRGUYRKSA-N 314.349 -0.161 30 20 DBED C=CCOCC(=O)NCC[C@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 1060060500 CSLJANBBUMCEAW-STQMWFEESA-N 323.393 -0.320 30 20 DBED C=CCCC(=O)NC[C@@H]1COCCN1C(=O)COCCOC 1061409024 ZCQDAMVPWALCHS-CYBMUJFWSA-N 314.382 -0.041 30 20 DBED N#Cc1nccc(N2CC[C@H](CNC(=O)[C@H]3CCNC3=O)C2)n1 1061693954 BUDRVWQQBZYDFE-MNOVXSKESA-N 314.349 -0.573 30 20 DBED Cc1nc[nH]c1CC(=O)NC[C@@H]1COCCN1C(=O)[C@H](C)C#N 1061744513 GZSAGGAESJSTKR-ZYHUDNBSSA-N 319.365 -0.236 30 20 DBED C=CCCC(=O)NCC1(NC(=O)Cn2ncn(C)c2=O)CCC1 1062685800 OJETYBVTRJODSY-UHFFFAOYSA-N 321.381 -0.297 30 20 DBED N#Cc1ccc(N2CCO[C@H](CNC(=O)[C@@H]3CCOC3)C2)nn1 1063619376 SYHMHJUBATUHER-DGCLKSJQSA-N 317.349 -0.294 30 20 DBED CCn1cc(C(=O)N[C@H]2[C@H]3C[C@H]2N(c2ccc(C#N)nn2)C3)nn1 1064288993 JJMVAKIPJSSLLC-BHYNMZESSA-N 324.348 -0.033 30 20 DBED C=CCOCC(=O)N1CCO[C@@H](CNC(=O)Cc2ncc[nH]2)C1 1064972624 YSZDAOCCSIDMAK-LBPRGKRZSA-N 322.365 -0.502 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)c2cnnn2C)CCO1 1065108011 MOTHWNFTBUTMEY-NSHDSACASA-N 307.354 -0.262 30 20 DBED Cc1cc(C#N)nc(N2CC[C@@H](C)[C@@H](NC(=O)C(N)=O)C2)n1 1067988668 FMYCZELMYZCVJH-KCJUWKMLSA-N 302.338 -0.527 30 20 DBED CC(C)C#CC(=O)N1CC2(C1)CN(C(=O)c1nc[nH]n1)CCO2 1068425658 NMFJUBQIOUYBET-UHFFFAOYSA-N 317.349 -0.483 30 20 DBED C=CCCC(=O)N[C@@H]1COC2(C1)CN(C(=O)[C@H]1C[C@H]1C(N)=O)C2 1068757130 NLKNVFOZSNIYOE-TUAOUCFPSA-N 321.377 -0.440 30 20 DBED C=CCCC(=O)N1CC2(C[C@@H](NC(=O)[C@@H](C)CC(N)=O)CO2)C1 1068943957 VBVNQVPGPFVAQR-NWDGAFQWSA-N 323.393 -0.050 30 20 DBED C=CCC1(C(=O)N2CC3(C[C@H](NC(=O)C(N)=O)CO3)C2)CCC1 1068992598 LUXRMCLBTMNAIS-NSHDSACASA-N 321.377 -0.296 30 20 DBED N#CCN1CCn2ncc(CNC(=O)[C@@H]3CCC(=O)NC3)c2C1 1069866158 ZMQQPWWVRQHABW-LLVKDONJSA-N 316.365 -0.635 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2cccc(O)n2)C1 1069906973 JVVWSELAHNVCQC-OLZOCXBDSA-N 312.333 -0.333 30 20 DBED N#CCSCC(=O)N1CCC[C@@H](NC(=O)CNC(N)=O)C1 1070452774 YHBIEGVUKZJYPY-SECBINFHSA-N 313.383 -0.981 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)[C@H]4CN(C)CCO4)C[C@@]3(C1)O2 1070779773 HDXACBNFMINAKK-KLZNWCGWSA-N 319.405 -0.748 30 20 DBED N#CCN1C[C@H]2C[C@H]3CN(C(=O)[C@@]45COC[C@@H]4C5)C[C@@]3(C1)O2 1070803503 OAUFQYILHWYEQW-PLPKTUSISA-N 303.362 -0.152 30 20 DBED CC#CCN1CCNC(=O)CCN(C(=O)c2ncn(C)n2)CC1 1070961563 UZOWCKVSCQUWQI-UHFFFAOYSA-N 318.381 -0.898 30 20 DBED Cn1nnnc1CN1CCC2(C1)CN(C(=O)C#CC1CC1)C2 1072716485 WKUHWPJULXMSSR-UHFFFAOYSA-N 300.366 -0.342 30 20 DBED Cn1nccc1CC(=O)N1CC[C@@H]2OCCN(CC#N)[C@@H]2C1 1074226720 VPKBRTJVLCXKQP-KGLIPLIRSA-N 303.366 -0.212 30 20 DBED CCOCC(=O)N1CCC(O)(CNC(=O)C#CC2CC2)CC1 1074442464 CGOPXOUOWMGUJB-UHFFFAOYSA-N 308.378 -0.094 30 20 DBED C#CCCCC(=O)N1CC[C@H](NC(=O)Cn2ncnn2)C[C@H]1C 1075003444 DCPIOKQXGYOVME-OLZOCXBDSA-N 318.381 -0.028 30 20 DBED Cn1nccc1CN1C[C@@H](O)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 1076896883 AWKQWSPFVHNIAV-ZIAGYGMSSA-N 314.349 -0.405 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2cccc(NC(N)=O)c2)C1 1078158432 DPEWEUUFLLGVHO-CHWSQXEVSA-N 302.334 -0.415 30 20 DBED C=CCN[C@H]1C[C@H](NC(=O)Cn2c(O)nnc2O)C12CCC2 1078795780 UHHNNCBHPITVCK-UWVGGRQHSA-N 307.354 -0.108 30 20 DBED CCN(C(=O)c1ccc(C#N)[nH]1)C1CN(C(=O)CNC(C)=O)C1 1079616558 QCEWASNZDLSTPH-UHFFFAOYSA-N 317.349 -0.305 30 20 DBED C#CCCCC(=O)N(CC)C1CN(C(=O)Cn2cnnc2O)C1 1079681105 WFYCGVGXHAKBQG-UHFFFAOYSA-N 319.365 -0.154 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(N(CC)C(=O)C2(C(N)=O)CC2)C1 1080397185 YDQZQWXMUOWAJI-HNNXBMFYSA-N 323.393 -0.362 30 20 DBED C[C@@H](C#N)C(=O)NC1(CO)CCN(C(=O)c2cnn(C)n2)CC1 1080980122 KWQCLKVFVDBMPF-JTQLQIEISA-N 320.353 -0.942 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@H](CNC(=O)CCOCC)C1 1081338860 XGYSBOSOIVQYHD-OLZOCXBDSA-N 314.382 -0.449 30 20 DBED C=C(C)CCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cnnn2C)C1 1081446583 BZKIEKLJPUZPQC-WCQYABFASA-N 321.381 -0.280 30 20 DBED C=CCC1(C(=O)NC[C@@H]2CN(C(=O)C(N)=O)C[C@H]2O)CCC1 1081740827 BHIAEMPFDCYRNQ-GHMZBOCLSA-N 309.366 -0.846 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)[C@H]2CCc3nc(C)nn3C2)C1 1083662759 IIVMOJNERPCOPL-MJBXVCDLSA-N 319.409 -0.114 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)C(=O)N2CCC[C@H](C)C2)C1 1083837519 GEQWEFCPLJUEKJ-MJBXVCDLSA-N 309.410 -0.018 30 20 DBED C#CCCN1CC[C@@H]2CN(C(=O)CN3CCN(C)C(=O)C3)[C@@H]2C1 1084463753 CVYTVDPMZWMKPT-HUUCEWRRSA-N 318.421 -0.684 30 20 DBED C#CCCN1CC[C@@H]2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)C[C@@H]21 1084960775 MTEFIZHHAAIJKR-AGIUHOORSA-N 318.377 -0.469 30 20 DBED C#CCN1CC[C@H](NC(=O)CN2CCN(C)C(=O)C2)[C@H]1CC 1087630335 FGRXBGVPRKDGJZ-UONOGXRCSA-N 306.410 -0.637 30 20 DBED CC#CCN1CC[C@H](NC(=O)[C@@H]2Cc3cncn3C(=O)N2)[C@H]1C 1088765853 RLGJFJSDXLWXTR-XBFCOCLRSA-N 315.377 -0.032 30 20 DBED CN(C)c1cnc(C(=O)N[C@@H]2CCN(CC#N)C[C@H]2O)cn1 1090265100 JTWDZMIVQHRONG-ZYHUDNBSSA-N 304.354 -0.769 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2cnn3cccnc23)[C@H](O)C1 1090478269 FCFJJPQLWVQLFO-ZIAGYGMSSA-N 313.361 -0.082 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CCN(Cc3nnnn3C)C[C@@H]2O)C1 1090554113 VPUIHPPBFAZVCT-NEPJUHHUSA-N 320.397 -0.382 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@@H]1O 1091118564 PETHDGKANAQNGZ-RTXFEEFZSA-N 317.349 -0.395 30 20 DBED COCC(=O)N(C)CCOCCN(C)c1nccnc1C#N 1091873150 BYYWFTWLPRYKKC-UHFFFAOYSA-N 307.354 -0.094 30 20 DBED N#Cc1cccnc1N1C[C@H]2[C@H](NC(=O)C3(C(N)=O)CC3)[C@H]2C1 1093357350 XPHREQGHGJFNTP-GDNZZTSVSA-N 311.345 -0.230 30 20 DBED CNC(=O)NCC(=O)N[C@H]1[C@@H]2CN(c3ncccc3C#N)C[C@@H]21 1093362797 XXQSJBXCHRMFBB-PJXYFTJBSA-N 314.349 -0.567 30 20 DBED CC(=O)N1CCOC[C@@H]1C(=O)NCCNc1nccnc1C#N 1093653236 LGCYVKJVNHVEJC-GFCCVEGCSA-N 318.337 -0.876 30 20 DBED COc1c(C(=O)NCCNc2nccnc2C#N)cnn1C 1093790245 MXLQVXLLVUWNQR-UHFFFAOYSA-N 301.310 -0.068 30 20 DBED Cc1cc(=NCCNC(=O)[C@H]2CCC(=O)N2C)c(C#N)c[nH]1 1094058842 WBUCHCPZMKQMSP-CYBMUJFWSA-N 301.350 -0.168 30 20 DBED COCC(=O)N[C@@H](C)C(=O)NCCNc1ccc(C#N)nc1 1094185006 DBBYBPFFQGWHAV-JTQLQIEISA-N 305.338 -0.368 30 20 DBED N#Cc1cnc(NCCCNC(=O)[C@H]2CCCC(=O)N2)cn1 1094633543 JSSYDJFQIYIESP-LLVKDONJSA-N 302.338 -0.065 30 20 DBED CC[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1 1094746114 RERARZDGYFRCOZ-JMSVASOKSA-N 320.393 -0.274 30 20 DBED C=C(C)CN1CC(N2C[C@H](NC(=O)Cc3ncc[nH]3)CC2=O)C1 1094803050 FMFLPYBUNWEPCF-GFCCVEGCSA-N 317.393 -0.070 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](Nc2ccnc(C)n2)C1 1095035184 QKBSYTQPNPPGBR-GFCCVEGCSA-N 301.350 -0.063 30 20 DBED CCNC(=O)CCC(=O)N[C@H]1CCN(c2ccc(C#N)nn2)C1 1096332098 BOYOGQZZRISQTB-LBPRGKRZSA-N 316.365 -0.041 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@H]1CCN(c2ccc3nnnn3n2)C1 1096360386 MUNZHSPQRTVYBB-IINYFYTJSA-N 317.353 -0.459 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CCN(c2cc(C)nc(C)n2)C1 1096361215 XTGFCQDJGWJHIE-ZDUSSCGKSA-N 315.377 -0.072 30 20 DBED C[C@@H](NC(=O)CC(N)=O)[C@@H]1CCCN(c2cnc(C#N)cn2)C1 1097519697 YTBKXIOBVCOLAD-GHMZBOCLSA-N 316.365 -0.055 30 20 DBED N#Cc1nc(=NC2CCC(NC(=O)CC(N)=O)CC2)cc[nH]1 1097614923 ZNBPYYUSSWWWST-UHFFFAOYSA-N 302.338 -0.515 30 20 DBED C[C@@H](CNC(=O)CCn1cncn1)N=c1cc[nH]c(C#N)n1 1097655664 RLWGRVUDWBQWKK-JTQLQIEISA-N 300.326 -0.631 30 20 DBED Cc1nsc(N[C@H](C)CNC(=O)[C@@H]2CNC(=O)N2)c1C#N 1098251628 XCRJZEHSYPUIFZ-MUWHJKNJSA-N 308.367 -0.079 30 20 DBED CN(CC(=O)N1CCC(N(CC#N)CCO)CC1)C(=O)C1CC1 1098384375 SQYYVMRNEAWFFJ-UHFFFAOYSA-N 322.409 -0.336 30 20 DBED C=C(C)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H]1CCS(=O)(=O)N1 1098426748 YEZXWBQSEUDSLU-LPWJVIDDSA-N 313.423 -0.024 30 20 DBED C=CCCNCc1cn([C@H]2CCN(C(=O)CC(N)=O)C2)nn1 1098640739 LYICGOWKGFMKII-LBPRGKRZSA-N 306.370 -0.407 30 20 DBED COCC#CCN1C[C@@H](NC(=O)C(N)=O)CC2(CCOCC2)C1 1099588930 LZYAEDYXFMLAIB-ZDUSSCGKSA-N 323.393 -0.891 30 20 DBED C[C@@H](CCNC(=O)[C@@H]1CN(C)C(=O)N1)Nc1cnc(C#N)cn1 1099617908 ZTMXIOCUXKOMST-ONGXEEELSA-N 317.353 -0.321 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)C#CC2CC2)[C@@H](O)C1 1099813243 MKCIDIZAMRGDAH-KGLIPLIRSA-N 305.378 -0.747 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)[C@@H]2[C@H]3COC[C@H]32)[C@@H](O)C1 1099949726 UVJGOACEJYFFHC-SEBNEYGDSA-N 310.394 -0.367 30 20 DBED CC#CCCCC(=O)N[C@@H]1CCN(Cc2nnnn2C)C[C@@H]1O 1099960168 PCQVOCOLFHKTOS-OLZOCXBDSA-N 320.397 -0.545 30 20 DBED C#CCCN1CC[C@@H](NC(=O)COc2cnn(C)c2)[C@H](O)C1 1099971230 CYYJBHCFUGGBOJ-ZIAGYGMSSA-N 306.366 -0.626 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)C(C)(C)CC=C)[C@@H](O)C1 1100021063 XCYUGYMPYYAVJH-KBPBESRZSA-N 321.421 -0.111 30 20 DBED C=CCN1CC[C@H](NC(=O)C(=O)Nc2cc(C)on2)[C@H](O)C1 1100112070 PNHZHCKQAWKUOD-WDEREUQCSA-N 308.338 -0.341 30 20 DBED C=CCN1CC[C@H](NC2CC(CNC(=O)CC(N)=O)C2)C1=O 1100209477 CJTBAPYLVILRRA-MCIGGMRASA-N 308.382 -0.867 30 20 DBED CCN(CCNC(=O)Cn1cnnc1O)c1ccnc(C#N)n1 1100497993 PPJBAAJWPTUTPZ-UHFFFAOYSA-N 316.325 -0.712 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1CNC(=O)Cn1cccn1 1101720249 PFIZQOPTGONXTQ-CHWSQXEVSA-N 318.381 -0.793 30 20 DBED N#Cc1cncc(N2CC[C@H](CCNC(=O)CC(N)=O)C2)n1 1102308492 OMAXOFQAGPPLNB-JTQLQIEISA-N 302.338 -0.444 30 20 DBED C#CCN1C[C@@H](C)[C@H](CNC(=O)C(=O)NCC(F)(F)F)C1 1102487245 RZQSZAOARDCBLA-NXEZZACHSA-N 305.300 -0.018 30 20 DBED Cc1nsc(N2C[C@@H]3C[C@H]2CN3C(=O)CNC(N)=O)c1C#N 1102536185 NIIBXBSWKASIKD-IUCAKERBSA-N 320.378 -0.219 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)c1cnn(C)n1 1104019482 ZNGJYTDJBRUAEI-VIFPVBQESA-N 300.326 -0.623 30 20 DBED C#Cc1cncc(C(=O)N2CC(n3cc(CNCC#N)nn3)C2)c1 1105325067 CUOMGOSFSCAHQT-UHFFFAOYSA-N 321.344 -0.035 30 20 DBED Cc1nsc(NC[C@H](O)CNC(=O)CSCC#N)n1 1105755639 UXWDWMSJPTWJBC-MRVPVSSYSA-N 301.397 -0.008 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H](O)CNc1nc(C)ncc1C 1105793052 VZOXVXPRJGXLDC-GFCCVEGCSA-N 319.365 -0.878 30 20 DBED CO[C@@H](C)CCC(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1 1105794757 LMRZASXICYQXQT-WDEREUQCSA-N 307.354 -0.526 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@H](O)CN=c1cc[nH]cc1C#N 1105805905 LYMBSTLFTOYJBI-IUODEOHRSA-N 304.350 -0.409 30 20 DBED Cc1ccc(C#N)c(NC[C@H](O)CNC(=O)CCCC(N)=O)n1 1105883300 TVGRGPOOAQDDIV-GFCCVEGCSA-N 319.365 -0.194 30 20 DBED COC[C@@H](C)CC(=O)NC[C@H](O)CNc1nccnc1C#N 1105941170 RXJYFBUNLGPFHO-QWRGUYRKSA-N 307.354 -0.090 30 20 DBED CCN(C)C(C)(C)C(=O)NC[C@@H](O)CNc1nccnc1C#N 1106010809 GDDBRGOTTYSWTO-NSHDSACASA-N 320.397 -0.032 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)C(=O)NCC1CC1 1106828494 VBZUGQYZRABTTG-UHFFFAOYSA-N 316.365 -0.443 30 20 DBED N#Cc1cnc(NC/C=C/CNC(=O)CNC(N)=O)c(F)c1 1107069364 ALJYJQQKORPXLT-OWOJBTEDSA-N 306.301 -0.155 30 20 DBED C[C@H](CNc1ccc(C#N)cn1)NC(=O)[C@@H]1CCS(=O)(=O)N1 1107780592 OABKNDDIVMQHHG-KOLCDFICSA-N 323.378 -0.438 30 20 DBED C[C@@H](C#N)C(=O)NC[C@]1(C)CN(CC(=O)N2CCCC2)CCO1 1107819663 SRDOAMQXYGZHFE-XJKSGUPXSA-N 322.409 -0.024 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)C(=O)NCC(F)F)C1 1108041043 ZRMNSGHMVIXTMI-CYBMUJFWSA-N 303.309 -0.792 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)c2cn(C)ccc2=O)C1 1108064391 HRFCXBLBENCZDF-INIZCTEOSA-N 303.362 -0.161 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)[C@@]2(C)CCC(=O)NC2)C1 1108153321 NCERZPFVATWGGA-JKSUJKDBSA-N 307.394 -0.257 30 20 DBED C=CCCN1CCO[C@](C)(CNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 1108248451 JPQYGLUIDPBPRT-XHDPSFHLSA-N 324.381 -0.632 30 20 DBED C[C@@H](CNc1cncc(C#N)n1)NC(=O)C1CC(=O)NC(=O)C1 1108440613 AQFHYQXOPOOADZ-QMMMGPOBSA-N 316.321 -0.682 30 20 DBED C=CCCCC(=O)N[C@H]1CC(=O)N(C2CN([C@H](C)C(N)=O)C2)C1 1108568148 LETAWBNKHZUFHA-NEPJUHHUSA-N 322.409 -0.382 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CC(=O)N(C2CN(CCF)C2)C1 1108594778 ZWZUOJBEWXXGNI-NWDGAFQWSA-N 313.373 -0.052 30 20 DBED C[C@@H](CNc1ccc(C#N)nn1)NC(=O)[C@@H]1CN(C)C(=O)N1 1108635854 RTWGEEUNFYHGHO-WPRPVWTQSA-N 303.326 -0.712 30 20 DBED C[C@H](CN(C)c1nccnc1C#N)NC(=O)CNC(=O)C1CC1 1108833132 ADOZSHBOYSAGFP-SNVBAGLBSA-N 316.365 -0.185 30 20 DBED CN1C[C@H](C(=O)N(C)CCCNc2cncc(C#N)n2)NC1=O 1109578852 SDOYZTZHUHVMCL-LLVKDONJSA-N 317.353 -0.368 30 20 DBED N#Cc1ccc(NC[C@H](NC(=O)[C@@H]2CCNC2=O)C2CC2)nn1 1109946653 XQFBAUCBQMLQGA-NEPJUHHUSA-N 314.349 -0.209 30 20 DBED CC(C)(C(N)=O)C(=O)NCC1(Nc2ccc(C#N)nn2)CC1 1110255900 BDKJHNNSEXZGFL-UHFFFAOYSA-N 302.338 -0.080 30 20 DBED N#Cc1cncc(NC2(CNC(=O)[C@@H]3CC[C@H]3C(N)=O)CC2)n1 1110300068 ODSAAZFFERNUMB-GHMZBOCLSA-N 314.349 -0.080 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H]1CCC(=O)N1C 1110936451 OCMUCLZOSGLPBW-APIJFGDWSA-N 319.405 -0.022 30 20 DBED COCc1cc(N2CC[C@](O)(CNC(=O)[C@H](C)C#N)C2)ncn1 1111042681 ZETROHIEPBTGFS-ABAIWWIYSA-N 319.365 -0.160 30 20 DBED CNC(=O)CC(=O)N(CCO)CCNc1ccc(C#N)nc1 1111458170 KIKXKYFPCKMGSC-UHFFFAOYSA-N 305.338 -0.678 30 20 DBED N#Cc1cccnc1NCCN(CCO)C(=O)CCCC(N)=O 1111485886 OUZQJRKAOWRWSF-UHFFFAOYSA-N 319.365 -0.158 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CCN(c2ccc(C#N)nn2)C[C@H]1C 1112387237 CKQRWSPVRYHIOH-ZWNOBZJWSA-N 316.365 -0.185 30 20 DBED COCCC(=O)NC[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1O 1112689447 NEIMSBWCPRACKM-ZYHUDNBSSA-N 305.338 -0.702 30 20 DBED C[C@@H](CNC(=O)CCCC(N)=O)N(C)c1cncc(C#N)n1 1113644565 CGILZLJQLCLVEQ-JTQLQIEISA-N 304.354 -0.055 30 20 DBED C[C@@H](CNC(=O)[C@@]1(C)CNC(=O)C1)N(C)c1cncc(C#N)n1 1113783235 CITZCBOSSVLWKE-ZUZCIYMTSA-N 316.365 -0.185 30 20 DBED N#CCSCC(=O)N[C@H]1[C@@H]2CN(CC(=O)NC3CC3)C[C@@H]21 1113890889 IUNVFQPFBGRULZ-YABSGUDNSA-N 308.407 -0.432 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)[C@@H]3CCCCO3)[C@@H]2C1 1114140678 KGRTWRIAJCLWLA-UPJWGTAASA-N 305.378 -0.649 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@H](F)C(F)(F)F)[C@H]2C1 1114309622 ZKPYYCLXIYZBSH-URPMGSGRSA-N 321.274 -0.317 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)C3(N(C)C)CCC3)[C@H]2C1 1114405306 QEOWBYBZHUNMNQ-NHAGDIPZSA-N 318.421 -0.734 30 20 DBED CC1(C)CN(c2ccncc2C#N)C[C@@H]1NC(=O)CNC(N)=O 1114424369 WHXDBUIBSWFJGN-LBPRGKRZSA-N 316.365 -0.047 30 20 DBED N#Cc1cccnc1N1C[C@@H]2C(CNC(=O)CNC(N)=O)[C@H]2C1 1114501005 SMHIZZIQWHHVCK-VXGBXAGGSA-N 314.349 -0.580 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3csc(O)n3)[C@H]2C1 1114713056 WBZHSGYVCLGNOG-GDGBQDQQSA-N 320.374 -0.742 30 20 DBED CCC(=O)NCC(=O)N[C@H](C)CCCN=c1cc[nH]c(C#N)n1 1114868583 GDURSHHULHFMON-LLVKDONJSA-N 318.381 -0.007 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)CN(CC)CC)[C@H]2C1 1114991363 BXCFCPJUJJGPKY-STQMWFEESA-N 306.410 -0.876 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)CCCC(N)=O)[C@@H]2C1 1115350310 QYVKZBWYNNOAKS-QJPTWQEYSA-N 322.409 -0.621 30 20 DBED C=CCNC(=O)CNC1(CNC(=O)CC(=O)NC)CCCCC1 1115497467 AQTPVSWKVAZAAU-UHFFFAOYSA-N 324.425 -0.167 30 20 DBED CS(=O)(=O)NC1CCN(S(=O)(=O)CCCC#N)CC1 1115993767 FIFWBPCNMIXMKT-UHFFFAOYSA-N 309.413 -0.366 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)NCc1ccc(NC(C)=O)nc1 1117523230 KGQQCPYUYZNFRR-LBPRGKRZSA-N 320.349 -0.027 30 20 DBED N#Cc1ccc(CNC(=O)NCCCn2cc(CO)nn2)nc1 1117691086 HPZUGSCCYXLYEH-UHFFFAOYSA-N 315.337 -0.073 30 20 DBED CC#CCN(C)C(=O)C(=O)N1CCN(C[C@H]2CCCO2)CC1 1117877814 AVQFIIICHWULMC-CQSZACIVSA-N 307.394 -0.209 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N1CCC[C@]12CCOC2=O 1119198146 BOTMYSGHYDZOMQ-BLLLJJGKSA-N 322.361 -0.161 30 20 DBED COCC[C@@H](C)C(=O)NC[C@@H](CO)N=c1cc[nH]cc1C#N 1121607485 PBXXTBOSMZVOMB-YPMHNXCESA-N 306.366 -0.063 30 20 DBED CCO[C@H](C(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1)C(C)C 1122045319 RAWRMHPOVQDXDQ-RISCZKNCSA-N 321.381 -0.280 30 20 DBED CC(=O)NCC(=O)N1C[C@H](N=c2cc[nH]c(C#N)n2)C[C@H]1C 1123121748 OPYHIDQIALXGHI-MWLCHTKSSA-N 302.338 -0.692 30 20 DBED C#CCO[C@@H](C)C(=O)NCCNCC(=O)Nc1cnccn1 1127045806 HQJUDFSXNOIDPF-NSHDSACASA-N 305.338 -0.841 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)[C@H]1C[C@@H](C)CC(=O)N1 1127576847 YXTZFCIEVLKKKF-GRYCIOLGSA-N 310.398 -0.702 30 20 DBED C#CCNC(=O)CNCCNC(=O)Cc1ccc(F)cc1F 1127816434 UPBCVTBJICFTMN-UHFFFAOYSA-N 309.316 -0.038 30 20 DBED C=CCC(CC=C)C(=O)NCCNCC(=O)N1CCNC(=O)C1 1128085174 MLWOKVKOYWDGAS-UHFFFAOYSA-N 322.409 -0.581 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(CC=C)C[C@@H]1n1ccnn1 1128975959 BNEFIVXKTUQTJB-MJBXVCDLSA-N 303.366 -0.156 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)c1cnn2ccncc12 1129570306 RIFXBKKPDXKYQD-NSHDSACASA-N 316.365 -0.261 30 20 DBED COC[C@@H](OC)C(=O)N1C[C@@H](NCC#N)[C@H](c2cncn2C)C1 1131064417 JTMRFCCIOLYQPL-YRGRVCCFSA-N 321.381 -0.511 30 20 DBED C#CCNC(=O)CN1C[C@H]2C[C@H]3CN(C(=O)CC)C[C@@]3(C1)O2 1131164707 SFAYTMKGRMJPNL-WOSRLPQWSA-N 305.378 -0.553 30 20 DBED CCC(=O)NCC(=O)N[C@@H]1CC[C@H](C)N(CC(=O)NCC#N)C1 1131909476 XZEKOTIOVKLWPO-NWDGAFQWSA-N 323.397 -0.879 30 20 DBED C=C(C)CN1C[C@H](NC(=O)CNC(=O)CNC(C)=O)CC[C@H]1C 1132131774 JIVRQORIJRITRX-TZMCWYRMSA-N 324.425 -0.216 30 20 DBED Cc1n[nH]cc1C(=O)N[C@@H]1CC[C@@H](C)N(CC(=O)NCC#N)C1 1132214682 LXVLZJGKEBWTQQ-ZYHUDNBSSA-N 318.381 -0.059 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1nc(C)ncc1Cl 1134827674 RTZCRDHXDVIUIK-UHFFFAOYSA-N 309.757 -0.493 30 20 DBED C#CCCN[C@H](C)C[C@@H](C)NC(=O)c1cn(C)c(=O)nc1O 1146314559 NDNUMOMWSLYSAR-GHMZBOCLSA-N 306.366 -0.004 30 20 DBED C#CCNC(=O)CNCCNC(=O)CCCn1nc(C)nc1C 1147282928 GHPSBXRBIPJKLU-UHFFFAOYSA-N 320.397 -0.870 30 20 DBED C#CCOCCC(=O)N1CC2(CCN(C[C@H](O)COC)C2)C1 1147534431 HFMPAGJUGGQQHW-AWEZNQCLSA-N 310.394 -0.432 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CN(CC(=O)N2CCC2)CCCO1 1149398167 JAWDZSRANBDYIG-OLZOCXBDSA-N 308.382 -0.415 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)CS(=O)(=O)CC)C1 1150769424 BVIJQBJVXHJNPX-GFCCVEGCSA-N 302.396 -0.739 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)C[C@H]1COC(=O)C1 1152827598 SPCOAZGEEXMISX-VXGBXAGGSA-N 324.381 -0.594 30 20 DBED C=CCOCC(=O)NCCCNCCN(C)S(C)(=O)=O 1155708051 YULORGGZPIREDR-UHFFFAOYSA-N 307.416 -0.824 30 20 DBED Cn1cnnc1COCC(=O)NCCC1=CCN(CC#N)CC1 1161603864 AMODLNUYLIXVCO-UHFFFAOYSA-N 318.381 -0.006 30 20 DBED CC#CCN1CC=C(CCNC(=O)CN2C(=O)CNC2=O)CC1 1161839627 XKJOWHRRNFBXFK-UHFFFAOYSA-N 318.377 -0.300 30 20 DBED N#CCNC(=O)CNCCCNC(=O)CCCCc1cnn[nH]1 1163213076 KMUHZEGZRVLAQP-UHFFFAOYSA-N 321.385 -0.747 30 20 DBED C#CCCNCC1(CCNC(=O)Cn2cnc(C(N)=O)n2)CC1 1164576877 ZUUQEOJYHQBBGU-UHFFFAOYSA-N 318.381 -0.724 30 20 DBED COCC#CCNCCCNC(=O)c1c(C)c[nH]c1CC(N)=O 1167102373 CWOCNFVWTNPSES-UHFFFAOYSA-N 320.393 -0.290 30 20 DBED C=CCNC(=O)CNCCCC[C@@H](C)NC(=O)Cn1nccn1 1170997919 MFYMNWUGVNDIRY-CYBMUJFWSA-N 322.413 -0.155 30 20 DBED C#CCN1CCC(C(=O)NCCCN[C@@H]2CCNC2=O)CC1 1176926192 IOWZKPGQOHKPSX-CQSZACIVSA-N 306.410 -0.684 30 20 DBED C#CCNC(=O)CNCCCNC(=O)CCn1cc(C)cn1 1176934236 UESWKQPAWDRIGR-UHFFFAOYSA-N 305.382 -0.573 30 20 DBED N#CCN1CCO[C@H]2CCN(C(=O)CCCn3ccnn3)C[C@H]21 1177035234 JBJDJYVEWHCDGG-KGLIPLIRSA-N 318.381 -0.116 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)C(C)(C)NC(=O)NC)C[C@H]21 1177156516 JLOKKUJVWNJVIK-CHWSQXEVSA-N 322.409 -0.371 30 20 DBED C=CCO[C@@H](C)C(=O)NCCCNCC(=O)NC(=O)NC 1177269503 OSRVPTQATJKXRY-JTQLQIEISA-N 300.359 -0.871 30 20 DBED CC#CCN[C@H]1CCN(C(=O)CCc2nnc(O)nc2O)[C@H]1C 1179045297 FZCQJMIDLAYNMQ-QWRGUYRKSA-N 319.365 -0.182 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@@H](NCC(=O)NC3CC3)C2)[nH]1 1182050970 GCDJCPOIDOQDHU-GFCCVEGCSA-N 301.350 -0.031 30 20 DBED N#CCNC(=O)CN[C@@H]1CCN(C(=O)c2cc(C3CC3)on2)C1 1184676404 JLBUXWYPIKWYNK-LLVKDONJSA-N 317.349 -0.004 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2cn(C)c(O)n2)C1 1185416445 VXRFLCNOOAEQLD-GHMZBOCLSA-N 321.381 -0.380 30 20 DBED C#CCCN(C)[C@H]1CCN(C(=O)[C@@H](CCC)S(N)(=O)=O)C1 1191552331 VLVIDDTVUICPAA-QWHCGFSZSA-N 315.439 0.000 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C(C)=C2CCCC2)C1 1192096842 MIKJMDLSNAATHY-HUUCEWRRSA-N 319.405 -0.212 30 20 DBED CC#CCN(C)[C@H]1CCN(C(=O)CN(C)S(=O)(=O)CC)C1 1193170013 JJEDGVMKJOKSLD-ZDUSSCGKSA-N 315.439 -0.176 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2cn(CC)cn2)C1 1193489340 WKBCDARVBLFCNZ-CYBMUJFWSA-N 317.393 -0.201 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)CS(=O)(=O)CC(C)C)C1 1194176447 AVIWINNDEIYWBK-CHWSQXEVSA-N 318.439 -0.205 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)[C@@H]2CN(C)CCO2)CC1 1195404247 OHUXGWSHAGSLQM-AWEZNQCLSA-N 324.425 -0.847 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)c2c(C)cnn2C)C1 1195413030 PFGFEHILACARHS-CHWSQXEVSA-N 308.382 -0.294 30 20 DBED CC#CCCCC(=O)N[C@@H]1CN([C@@H]2CCCNC2=O)C[C@H]1O 1195467128 JMNJZIPJOCEVEL-MGPQQGTHSA-N 307.394 -0.380 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCCN(C(=O)CC2(O)CCC2)CC1 1195747369 ONEQPLMBDWPFEE-CQSZACIVSA-N 321.421 -0.036 30 20 DBED C[C@H]1CN(C)C[C@@H]1C(=O)N1CCCN(CC(=O)NCC#N)CC1 1197158505 RADCILJXUBBALC-KBPBESRZSA-N 321.425 -0.642 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@H](C)NC(=O)C2CCC2)C1 1199498540 PDDSCQJUMUBVBC-IACUBPJLSA-N 307.394 -0.524 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)c2ccnn2C)CCCO1 1200041821 YPKBWQQIEPUZSC-CQSZACIVSA-N 320.393 -0.109 30 20 DBED N#CCNC(=O)CNC1CCN(C(=O)C2=CCOCC2)CC1 1200208465 XXWZBMFJXSFJQA-UHFFFAOYSA-N 306.366 -0.447 30 20 DBED C#CCNC[C@@H]1CN(C(=O)c2cc(OC)n(C)n2)CCCO1 1200931447 SUZWINGJEAJPLI-GFCCVEGCSA-N 306.366 -0.117 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)[C@H](C)OCC)CC1 1204586760 HAKMVMZKBAHISD-ZDUSSCGKSA-N 309.410 -0.011 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)[C@@H](C)n1cccn1 1206083737 WYBZDJYFZWMPSD-JHJVBQTASA-N 318.381 -0.480 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2cc(OC)no2)[C@H](C)C1 1206885739 CDUORWDETMZBBJ-GHMZBOCLSA-N 320.349 -0.517 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)c2[nH]cnc2C)CC1 1206977242 AHBWMEQYNRGCSK-UHFFFAOYSA-N 317.393 -0.091 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCN(C(=O)c2cnccn2)C1 1207107920 KDDZSQYHLHNENQ-LLVKDONJSA-N 302.338 -0.689 30 20 DBED COCC#CCN1C[C@@H](NC(=O)[C@@H](C)S(C)(=O)=O)[C@H](C)C1 1207720600 TVWBXMLUWADGFY-JHJVBQTASA-N 316.423 -0.494 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC[C@@H](NCCn2cncn2)C1 1208025053 GCTJTTQTPZFRBZ-ZIAGYGMSSA-N 305.382 -0.103 30 20 DBED C=CCCOCC(=O)N1CCC[C@@H](NCC(=O)NCC#N)C1 1211355109 MVKMHPDAPKVSGE-CYBMUJFWSA-N 308.382 -0.201 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)[C@@H](C)OCC)[C@H](OC)C1 1211914579 NPINGAKJVVHPMX-JHJVBQTASA-N 313.398 -0.471 30 20 DBED C#CCC1(C(=O)N[C@@H]2CN(CCO)C[C@H]2OC)CCOCC1 1212395817 OZTFWVAJURKDDR-ZIAGYGMSSA-N 310.394 -0.386 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2[nH]nnc2C)C[C@H]1C 1215291627 DOZPLCZOEKIRMJ-ADEWGFFLSA-N 318.381 -0.699 30 20 DBED CNC(=O)[C@@H](C)N1C[C@H]2[C@@H](C1)OCCN2C(=O)C#CC(C)C 1217852241 GZYLMFIQUZFULT-HZSPNIEDSA-N 307.394 -0.308 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)c2conc2COC)C1 1220740889 WPDSNDWMLNWSPZ-OCCSQVGLSA-N 323.349 -0.754 30 20 DBED CC[C@@H](CC(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@@H]1O)C(C)C 1220801632 HOORWFRKZSPJHZ-MJBXVCDLSA-N 324.425 -0.140 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1CCN(Cc2nnnn2C)CC1 1223174982 RKYXZTJZZBIGJH-LBPRGKRZSA-N 320.397 -0.423 30 20 DBED COCCS(=O)(=O)CC(=O)N[C@@H]1CCCC[C@H]1NCC#N 1227113726 JOYCOXCMWVGQTL-VXGBXAGGSA-N 317.411 -0.412 30 20 DBED CN1CCC(C(=O)NC2CCN(CC(=O)NCC#N)CC2)CC1 1228984366 QFKZWMZLPOWDPA-UHFFFAOYSA-N 321.425 -0.451 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1nc[nH]n1 1229195343 ZOOGANNKJAQZHD-NXEZZACHSA-N 305.342 -0.925 30 20 DBED CC#CCN1CCS(=O)(=O)[C@H](CCNC(=O)c2cc[nH]n2)C1 1230421853 BSBOAGXOMVEUEI-GFCCVEGCSA-N 324.406 -0.348 30 20 DBED C#CCNC(=O)[C@H](C)N(C)CCCNC(=O)c1cncnc1C 1234433708 WDKQBTCTVMOCPI-ZDUSSCGKSA-N 317.393 -0.025 30 20 DBED N#Cc1ccc(NCCNC(=O)C(=O)NC[C@H]2CCOC2)nc1 1256747790 BVASVUNSBBFHJR-GFCCVEGCSA-N 317.349 -0.366 30 20 DBED CCn1cc(NC(=O)C(=O)N2CCO[C@H](C#N)C2)ccc1=O 1318677695 JXIVJHHKFGQMAR-LLVKDONJSA-N 304.306 -0.442 30 20 DBED N#CCCCNC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 1320351428 FXWYDAHGCWSYBT-MNOVXSKESA-N 313.379 -0.558 30 20 DBED C#C[C@H](C)NC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 1320521540 LHOAOIGJEAGXLX-UWVGGRQHSA-N 311.363 -0.710 30 20 DBED C[C@]1(C#N)CCCN(C(=O)C(=O)NCc2nnc3n2CCC3)C1 1321397651 YKIGGBKXDDMARN-OAHLLOKOSA-N 316.365 -0.007 30 20 DBED CC1CCN(CCCNC(=O)C(=O)N2CCO[C@@H](C#N)C2)CC1 1321429482 KQXVCEUZCYCKKR-AWEZNQCLSA-N 322.409 -0.024 30 20 DBED C[C@@H](CS(C)(=O)=O)N(C)C(=O)C(=O)Nc1cccc(C#N)n1 1326077931 SVGZWGRKFNPTKY-VIFPVBQESA-N 324.362 -0.217 30 20 DBED C#CC[C@H](NC(=O)CNS(=O)(=O)c1ccccc1)C(=O)OC 1328617144 VFUHGKCOXJBHDM-LBPRGKRZSA-N 324.358 -0.354 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N[C@H](C)CS(C)(=O)=O 1330935995 CORAJKPPIYVFEL-LLVKDONJSA-N 318.395 -0.966 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H](N)C2)CCN1C1CC1 1331998984 WYIRLHFGLGZWOX-YPMHNXCESA-N 305.382 -0.865 30 20 DBED CCN(C(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1)[C@@H]1CCNC1 1337601457 IAEZHPVDOVUBSX-KGLIPLIRSA-N 319.409 -0.604 30 20 DBED CC[C@H](O)CCNC(=O)NCCN/C(O)=C1\N=CC=CC1=O 1340494730 MSQQCHHFPYPCKP-ZFEMDRMUSA-N 310.354 -0.027 30 20 DBED C#CCN1CCN(c2nnc(-c3ncnn3C)n2CC)CC1 1340745455 UMUIEXHYOMEEAZ-UHFFFAOYSA-N 300.370 -0.151 30 20 DBED C#CCN(C)c1nnc(CN2CCC[C@@H](O)C2)n1CCOC 1342900727 HMEOJJDYGJJLDU-CYBMUJFWSA-N 307.398 -0.049 30 20 DBED C=C(C)Cn1c(C[C@H](C)O)nnc1N1CCN2C(=O)NC[C@@H]2C1 1343642352 QOOUITGDKDVDNX-NWDGAFQWSA-N 320.397 -0.009 30 20 DBED Cc1cc(NC(=O)C(=O)NCC(=O)N2CCCC2)ncc1C#N 1346452056 GTSKMJMUNLPDOH-UHFFFAOYSA-N 315.333 -0.061 30 20 DBED COCCNC(=O)[C@@H](C#N)C(=O)c1ccc(=O)n(CCOC)c1 1347077335 WMAHOPLIAMQEOL-LBPRGKRZSA-N 321.333 -0.420 30 20 DBED Cc1[nH]c(C#N)cc1C(=O)N(C)C[C@@H](O)CN1CCOCC1 1362210572 XCXRYKVCUHDQKR-CYBMUJFWSA-N 306.366 -0.040 30 20 DBED COCCn1cc(C(=O)N2CC(O)(CC#N)C2)c(=O)cc1C 1362372939 ARZJINABLQUFSA-UHFFFAOYSA-N 305.334 -0.096 30 20 DBED CC[C@H](C)N1CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)CC1 1362565100 PUEYPQYLYUTNCG-NSHDSACASA-N 319.365 -0.237 30 20 DBED Cn1nccc1CCC(=O)NCCn1cc(C#N)c(O)nc1=O 1363127162 IIQDHZLLKUTOFD-UHFFFAOYSA-N 316.321 -0.697 30 20 DBED CO[C@H](CNC(=O)CCn1cc(C#N)c(O)nc1=O)C1CC1 1363305677 CHQCCZKJLZOOOX-LLVKDONJSA-N 306.322 -0.248 30 20 DBED C[C@H](CNC(=O)CNC(=O)C1CC1)NC(=O)c1ccc(C#N)[nH]1 1372780259 FHENLGVXMMXFMQ-SECBINFHSA-N 317.349 -0.353 30 20 DBED CCN(CCNC(=O)[C@@H]1COCCN1CC)C(=O)[C@@H](C)C#N 1373864928 IFCCPRKAAPUDIY-STQMWFEESA-N 310.398 -0.169 30 20 DBED Cc1nn[nH]c1C(=O)N[C@@H](C)CNC(=O)c1cc(C#N)c[nH]1 1386714230 NOLUKNGWAHXYAA-ZETCQYMHSA-N 301.310 -0.139 30 20 DBED CCN(CCC#N)C(=O)CN1CC[C@@H](NC(=O)c2cn[nH]c2)C1 1405057622 QZJJOOXTZVMQMC-CYBMUJFWSA-N 318.381 -0.024 30 20 DBED C[C@H](C#N)C(=O)NCCN1CCN(C(=O)C[C@@H]2CCOC2)CC1 1407443640 CYDOOJWKANCEPH-KGLIPLIRSA-N 322.409 -0.167 30 20 DBED C[C@@H](C#N)C(=O)NCC1CN(C(=O)[C@@H](NC(N)=O)C(C)(C)C)C1 1409175707 HPLCGOHYHMBMPO-GXSJLCMTSA-N 323.397 -0.196 30 20 DBED COc1nc(C)ccc1C(=O)NC[C@H](O)CNC(=O)[C@H](C)C#N 1410118513 CABUNIWYUAXLBP-MWLCHTKSSA-N 320.349 -0.235 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1snnc1C1CC1 1416769113 LJRGRRXXOCPJQQ-IONNQARKSA-N 323.378 -0.218 30 20 DBED C[C@H](C#N)C(=O)N(C)C1CCN(C(=O)[C@H]2CCC(=O)N2)CC1 1424783484 FPJRQWHOZCKHPM-ZYHUDNBSSA-N 306.366 -0.126 30 20 DBED C[C@@H](CN(C)C(=O)c1cc(C#N)c[nH]1)NCCN1CCNC1=O 1425556454 ZXJVKXXCSNJEGX-NSHDSACASA-N 318.381 -0.038 30 20 DBED C[C@H](C#N)C(=O)N1CC(CNC(=O)C[C@H]2CCC(=O)NC2)C1 1432431162 VLGSNOGIAFMZEZ-GHMZBOCLSA-N 306.366 -0.363 30 20 DBED C[C@H](CN(C)C(=O)c1cnn(C)n1)NC(=O)c1ccc(C#N)[nH]1 1443905360 GXMSMXPYCNGVBP-SECBINFHSA-N 315.337 -0.095 30 20 DBED CC[C@H](CNC(=O)Cn1ccc(O)nc1=O)NC(=O)[C@@H](C)C#N 1451021644 YDJHCHZOFJNQPT-VHSXEESVSA-N 321.337 -0.880 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1cn2cccnc2n1 1458032534 VLQIIJIBCKEOBT-NXEZZACHSA-N 316.321 -0.904 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCN1CCN(CCn2cncn2)CC1 1481466497 DQMFOJMGSZQYIF-AWEZNQCLSA-N 319.413 -0.486 30 20 DBED N#Cc1ccccc1CNC[C@H](O)CNC(=O)[C@@H]1CCC(=O)N1 1482790276 YQOIBFPEALFOGO-KBPBESRZSA-N 316.361 -0.596 30 20 DBED N#CCNC(=O)CNC[C@H]1CCCN1C(=O)CSCC#N 1483921986 WXIYRFXWFRVJPN-LLVKDONJSA-N 309.395 -0.536 30 20 DBED C[C@H](CN(C)C(=O)c1cc(C#N)c[nH]1)NC(=O)c1cn(C)nn1 1487745263 XPWAXGBXDQJBRZ-SECBINFHSA-N 315.337 -0.095 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(C(=O)CCCC(N)=O)[C@@H]1C 1573459777 BYOVGPTZWIMLLL-NEPJUHHUSA-N 311.382 -0.050 30 20 DBED C[C@H](C#N)C(=O)NCC1(Nc2cnc(-c3nn[nH]n3)cn2)CC1 1573577624 RQLRQJNMYPFQTQ-MRVPVSSYSA-N 313.325 -0.123 30 20 DBED C=CCNC[C@@H]1CN(C(=O)[C@@H](C)OCc2cnn[nH]2)CCO1 1575108951 STGYDNIOHPYAQT-DGCLKSJQSA-N 309.370 -0.287 30 20 DBED C=CCOCC(=O)NCC1CN(C(=O)CCCc2cnn[nH]2)C1 1575109655 BHFKQQCMPPLPIO-UHFFFAOYSA-N 321.381 -0.095 30 20 DBED N#Cc1ccc(C(=O)N2CCN[C@H]3CS(=O)(=O)C[C@H]32)c(F)c1 1580063954 DFMDLJKWVPAMKO-QWHCGFSZSA-N 323.349 -0.092 30 20 DBED C=C(C)CN(C)C(=O)Cn1cc(-c2nn[nH]n2)c(O)nc1=O 1588425827 WGVWMDIZCHTPLC-UHFFFAOYSA-N 305.298 -0.837 30 20 DBED CN(C)CC#CCNC(=O)Nc1cccc(-c2nn[nH]n2)n1 1591011896 CNLRPNPDKCKTNA-UHFFFAOYSA-N 300.326 -0.052 30 20 DBED COc1nn(C)cc1C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[nH]1 1591669972 GIHTXFDHPCYDNZ-UHFFFAOYSA-N 314.269 -0.544 30 20 DBED N#C[C@@H]1COCCN1S(=O)(=O)c1scnc1C(=O)O 1601063778 ZAGJDUJVWALYAE-ZCFIWIBFSA-N 303.321 -0.246 30 20 DBED C#CCN(C(=O)[C@H]1C[C@@H]1C(=O)O)C1CCN(C(=O)COC)CC1 1602711449 GWLDCCSLDUGWLP-STQMWFEESA-N 322.361 -0.194 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 1602722329 MOFWNMYMXXBYTH-LLVKDONJSA-N 315.337 -0.741 30 20 DBED COCC[C@](C)(C#N)NC(=O)[C@H](C)n1cnc(-c2nn[nH]n2)n1 1605075148 WTXYXARQJSBILU-QPUJVOFHSA-N 319.329 -0.546 30 20 DBED C#CCCNC[C@H]1CCCN1C(=O)CS(=O)(=O)N(C)C 1723971079 JGVPGDNGPFHGRJ-GFCCVEGCSA-N 301.412 -0.518 30 20 DBED C#CCNC(=O)CN(CC)CCCNC(=O)[C@]1(C)CCC(=O)N1 1752209615 APBYEMVAKDWBAZ-INIZCTEOSA-N 322.409 -0.767 30 20 DBED C=CCN1CCN(CCNC(=O)CN(C)C(=O)COC)CC1 1752366098 RTCIJVACWIGMCX-UHFFFAOYSA-N 312.414 -0.989 30 20 DBED C=CCOCC(=O)NC[C@H](N[C@@H]1CCC(=O)NC1=O)C1CC1 1752447540 AWTOBGVOTWVZPR-NEPJUHHUSA-N 309.366 -0.521 30 20 DBED C=CCNC(=O)CN1CC(NC(=O)c2ccc3nc[nH]c3n2)C1 1753379541 CMKLZHXADAIFHE-UHFFFAOYSA-N 314.349 -0.326 30 20 DBED C=CCCC(=O)NC[C@@H]1CN([C@H](C)C(=O)NC(N)=O)CCO1 1753656508 HOHONZHJHFZNQS-GHMZBOCLSA-N 312.370 -0.647 30 20 DBED C#CCN[C@@H](C)[C@H]1CCCN(C(=O)Cn2ccc(O)nc2=O)C1 1753796257 ITLZBZIROLZEBE-STQMWFEESA-N 318.377 -0.201 30 20 DBED Cc1ccnn1CC(=O)NC[C@H](NCC(=O)NCC#N)C(C)C 1753841150 UBICWFHAKDIETD-ZDUSSCGKSA-N 320.397 -0.438 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CNC(=O)[C@@H]1CCO[C@H]1CC 1754502103 OTURIFRZEUXADO-MCIONIFRSA-N 307.394 -0.259 30 20 DBED C#CCN(C(=O)Cn1cncn1)C1CCN(CCCO)CC1 1754643045 JCZKSBDVZAWMCP-UHFFFAOYSA-N 305.382 -0.413 30 20 DBED N#CCN1CC(O)(CNC(=O)[C@H]2CCN(CC(F)(F)F)C2)C1 1754772265 CYFTYGHYYMSURU-JTQLQIEISA-N 320.315 -0.443 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCO[C@@H](CNCc2cnnn2C)C1 1754999362 HAGMFKSYONIBQS-DZGCQCFKSA-N 323.397 -0.541 30 20 DBED C=CCOCCN1CC(N2CCN(C(=O)CCN(C)C)CC2)C1 1755146393 PTAUQLXJIMZRKW-UHFFFAOYSA-N 324.469 -0.031 30 20 DBED CNC(=O)NCC(=O)N1CCC[C@@H]([C@@H]2CCN(CC#N)C2)C1 1755205552 UCFOHIOEPIULEN-CHWSQXEVSA-N 307.398 -0.001 30 20 DBED C=CCN1C[C@@H]2C(CNC(=O)CN3CCC(=O)NC3=O)[C@H]2C1 1755433597 HIYVLGWYZAYZRO-VXGBXAGGSA-N 306.366 -0.592 30 20 DBED C#CCNC(=O)[C@@H](C)NCCC[C@@H](C)NC(=O)c1cnn(C)n1 1755516662 QCWAPNKGMVHZNV-VXGBXAGGSA-N 320.397 -0.559 30 20 DBED C#CCCCC(=O)N1CCC(N(C)CC(=O)NC(N)=O)CC1 1755529469 WJQQODMUIZXJHR-UHFFFAOYSA-N 308.382 -0.092 30 20 DBED CCS(=O)(=O)NCC(=O)N[C@]12CCC[C@@H]1N(CC#N)CC2 1755700856 HINLTWPCHPFRAZ-AAEUAGOBSA-N 314.411 -0.438 30 20 DBED C#CCNC(=O)CN1CC=C(CNC(=O)c2cnc(C)[nH]2)CC1 1755882477 IVVFKDCVVFEOJJ-UHFFFAOYSA-N 315.377 -0.171 30 20 DBED C=C(C)CCC(=O)N[C@@H](C)[C@@H](C)NC(=O)CN1C(=O)CNC1=O 1755973988 JPXNLPFIZLHIBM-WDEREUQCSA-N 324.381 -0.096 30 20 DBED C=C[C@](C)(O)CC(=O)N(C)[C@@H](C)CNC(=O)CCn1ccnn1 1756020295 JCRMEKDGBYIWBL-WFASDCNBSA-N 323.397 -0.042 30 20 DBED CC(C)C#CC(=O)NC[C@H](CO)NC(=O)CN1CCCCC1=O 1756518480 ZNVYIQKPVMEQNH-CYBMUJFWSA-N 323.393 -0.748 30 20 DBED C=CCCCC(=O)N[C@@H](CO)CNC(=O)[C@@H]1CCCNC1=O 1756528016 MKFLFADXAUJPKH-VXGBXAGGSA-N 311.382 -0.538 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1C[C@@H](C)N(C(=O)CCOC)C1 1756574016 FYGJSTNOJDIEIJ-NEPJUHHUSA-N 309.366 -0.732 30 20 DBED CC(C)(C)[C@@H](CNC(=O)C#CC1CC1)NC(=O)Cn1cnnn1 1756703080 NZJDLHSBCOPXKM-GFCCVEGCSA-N 318.381 -0.266 30 20 DBED CN1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)C#CC(C)(C)C)C[C@@H]2O)C1 1757180114 HYEMTRQCSBTDHO-MCIONIFRSA-N 321.421 -0.325 30 20 DBED C=CCCC(=O)N[C@H]1CCN(C(=O)C(=O)NCC2CC2)C[C@H]1O 1757563279 UGTCSCXRMNOABG-QWHCGFSZSA-N 323.393 -0.443 30 20 DBED CN1CCNC[C@H]1C(=O)N1CCN(c2ccc(C#N)nc2)CC1 1772264071 ZWOSKVWMHGAYRW-HNNXBMFYSA-N 314.393 -0.495 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)/C=C/C(=O)OCC)CCO2 1783049653 KEILFLZQGIQLHO-SQRWCISFSA-N 320.345 -0.431 30 20 DBED N#CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCCO1 1795898389 ALTAMJJVJXNUDK-GFQSEFKGSA-N 307.350 -0.331 30 20 DBED C#CC(=O)N1CC2(CCCN2C(=O)CN2CCSCC2)C1 1841041627 DIFUETPUUYPARP-UHFFFAOYSA-N 307.419 -0.128 30 20 DBED C=CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](C)NC=O 1847813784 SGHNFFOZCPGDJW-CRWXNKLISA-N 323.393 -0.086 30 20 DBED CCS(=O)(=O)N1CCN(S(=O)(=O)N(C)CCC#N)CC1 52115782 GFJYHYBIYQEGOZ-UHFFFAOYSA-N 324.428 -0.956 30 20 DBED CCOC(=O)[C@H]1CCCN(C(=O)CN(C)CC(=O)NCC#N)C1 66497829 NCRXUENHRCKGHS-LBPRGKRZSA-N 324.381 -0.640 30 20 DBED N#Cc1c(F)cccc1S(=O)(=O)NCC(=O)NCC(=O)O 70393964 CZSJFMSKLJQPSH-UHFFFAOYSA-N 315.282 -0.824 30 20 DBED N#Cc1cccc(S(=O)(=O)N2CCN3C(=O)NC[C@@H]3C2)c1 91756233 VEEFQIAWKAFQCZ-LLVKDONJSA-N 306.347 -0.044 30 20 DBED C=CCNC(=O)CN1C(=O)N[C@@](CC)(c2cnn(C)c2)C1=O 130160170 RNWULRKFQIMUJD-AWEZNQCLSA-N 305.338 -0.121 30 20 DBED C=CC[C@H](C)NS(=O)(=O)c1cnc2[nH]c(=O)[nH]c(=O)c2c1 176718638 KDOOXZIVEZAKBZ-ZETCQYMHSA-N 310.335 -0.146 30 20 DBED C#CCSCCNC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 266336216 TYZFPDRCHYUIBO-AAXDQBDMSA-N 322.386 -0.369 30 20 DBED CNC(=O)[C@H]1CN(C[C@H](O)COc2ccc(C#N)cc2)CCO1 272908863 QZITXJUKBACWLD-DZGCQCFKSA-N 319.361 -0.255 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@@](C)(O)C2CC2)CC1 286253776 VKCQDTDEFWHBTD-INIZCTEOSA-N 307.394 -0.569 30 20 DBED C[C@@H](NS(=O)(=O)c1cncc(C#N)c1)C(=O)NCCF 290135375 MDWWAAVLHIGRKX-MRVPVSSYSA-N 300.315 -0.294 30 20 DBED C=C[C@H](CO)NS(=O)(=O)c1ccc(OC)c(C(N)=O)c1 290184127 LJSKOHBPLAHWAF-MRVPVSSYSA-N 300.336 -0.381 30 20 DBED CC(C)CN1CCO[C@H](C/N=C(/O)NC[C@]2(O)CCOC2)C1 328793491 CFBCAOYKIUXOMJ-UKRRQHHQSA-N 315.414 -0.002 30 20 DBED O=C(C/N=C(/O)N[C@@H]1CCc2c[nH]nc2C1)N1CCOCC1 329236470 OITKIGOBQUGBLS-LLVKDONJSA-N 307.354 -0.371 30 20 DBED CCN1CCN(C/C(O)=N/C2(CO)CCOCC2)C(=O)C1=O 329563434 JVHVMWMGKXOMEW-UHFFFAOYSA-N 313.354 -0.825 30 20 DBED C[C@@H]1COCCN1CCNS(=O)(=O)N(C)[C@H](C)CC#N 330410286 KSYOIKDHXCMUJF-VXGBXAGGSA-N 304.416 -0.225 30 20 DBED Cc1cccc(CCNS(=O)(=O)N2CCO[C@H](C#N)C2)n1 337180566 MFWQOJPRQNAQJU-CYBMUJFWSA-N 310.379 -0.009 30 20 DBED C=CCOC[C@H]1NC(=O)N(C[C@H]2CCCS2(=O)=O)C1=O 348579678 YDTIABPVAWELBQ-NXEZZACHSA-N 302.352 -0.313 30 20 DBED C[C@H](C(=O)NC1CC1)N1CCN(S(=O)(=O)[C@H](C)C#N)CC1 352414325 TUAYHMUMUHICFQ-GHMZBOCLSA-N 314.411 -0.487 30 20 DBED CC[C@@](C)(C#N)C(=O)N[C@@H](C)C(=O)N1CCS(=O)(=O)CC1 352429603 ZJMYPCJFYSLLGW-GWCFXTLKSA-N 315.395 -0.312 30 20 DBED Cn1nccc1[C@H]1CCCN(C(=O)NCC(=O)NCC#N)C1 358319565 YNPGRNJTIKCKOF-NSHDSACASA-N 304.354 -0.051 30 20 DBED Cc1ccc(C(N)=O)cc1NC(=O)C(=O)N1CCO[C@@H](C#N)C1 358424093 HVMCZRAUPFNZDL-NSHDSACASA-N 316.317 -0.217 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCc2[nH]cnc2C)C1=O 359514809 IMTYHHAPCRUEBV-UHFFFAOYSA-N 305.294 -0.689 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC(N2CCC[C@H]2C(N)=O)CC1 378355508 OSLMYTQUEGSMHD-OCCSQVGLSA-N 306.410 -0.462 30 20 DBED C#CCC[C@H](O)CNC(=O)C1(O)CN(C(=O)OC(C)(C)C)C1 496121963 KMMSTLLNISLYTR-NSHDSACASA-N 312.366 -0.141 30 20 DBED C=CCCn1cc(C(=O)N(C2CC2)[C@@H]2CC(=O)NC2=O)nn1 564562251 FAXZHEFFTQMHCQ-LLVKDONJSA-N 303.322 -0.126 30 20 DBED C=CCOC[C@@H](NS(=O)(=O)c1cn(C)c(C)n1)C(=O)O 571320850 PQTUCAIMYVDIQX-SECBINFHSA-N 303.340 -0.337 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)NCCNC(=O)c2cccnc2)C1 591911383 IHFSCGFGZDCMOR-OAHLLOKOSA-N 317.349 -0.129 30 20 DBED CN(CCC#N)S(=O)(=O)N[C@@H]1CCCN(CCCO)C1 594776741 BOJXKJFVWUBVMQ-GFCCVEGCSA-N 304.416 -0.487 30 20 DBED N#Cc1ccc(NC(=O)C(=O)NCCN2CC[C@H](O)C2)cc1 600097608 BWQGFWCDFOHVQO-ZDUSSCGKSA-N 302.334 -0.320 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCN(C)C[C@@H]1CO 601469007 ISCGUWLOMGTIOR-NWDGAFQWSA-N 304.416 -0.679 30 20 DBED CNC[C@H]1CCCN(C(=O)C(=O)N2CCN(CCC#N)CC2)C1 601585060 WBMRLRHFDTXULV-CQSZACIVSA-N 321.425 -0.498 30 20 DBED N#Cc1ccccc1S(=O)(=O)NC1(C(N)=O)CCOCC1 611026990 MXUBCDLEEWCHGV-UHFFFAOYSA-N 309.347 -0.129 30 20 DBED C=CCCn1cc(CNCCNS(=O)(=O)NC(C)C)nn1 657448913 NTXKIWSXJZAFFT-UHFFFAOYSA-N 316.431 -0.224 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCc2cc(C)[nH]n2)C1=O 672538660 ZJANNUWEADRKJC-GFCCVEGCSA-N 319.365 -0.420 30 20 DBED N#Cc1cccc(OCC(=O)NCCCN2CCNC(=O)C2)c1 765142493 NNOIALAPBJPBIR-UHFFFAOYSA-N 316.361 -0.125 30 20 DBED C#C[C@H](NC(=O)CS(=O)(=O)N(CC)CC)[C@@H]1CCCO1 775330045 OQCLWVSTVMVRNX-RYUDHWBXSA-N 302.396 -0.045 30 20 DBED C#C[C@@H](C)NC(=O)c1ccc2c(c1)S(=O)(=O)N=C1N=CNN12 775388215 QYAVXRVKPHNVAT-MRVPVSSYSA-N 317.330 -0.151 30 20 DBED C=CCS(=O)(=O)CCNC(=O)[C@]1(C)CCN(C(C)=O)C1 783538668 DUPNXAWUBDHOHK-CYBMUJFWSA-N 302.396 -0.038 30 20 DBED C=CCS(=O)(=O)CCNC(=O)CCN1CCCS1(=O)=O 783538985 GGVDLMRXKQZHSE-UHFFFAOYSA-N 324.424 -0.871 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)C2(C)CC2)C1=O 795488554 ZPCSTJDBZNCDSO-UHFFFAOYSA-N 308.290 -0.124 30 20 DBED C=CCS(=O)(=O)NC(=O)[C@@H]1COCCN1CC(F)(F)F 797184430 IVOHLPVEAUFWHS-QMMMGPOBSA-N 316.301 -0.119 30 20 DBED C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1cn(C)c(=O)n(C)c1=O 798039136 RHLAIZXWFXPXGX-CMPLNLGQSA-N 307.350 -0.205 30 20 DBED C#CCCS(=O)(=O)NC(=O)[C@@H]1COCCN1CC(F)F 810781729 BVAPEJKNJFKGOM-VIFPVBQESA-N 310.322 -0.578 30 20 DBED C#CCOCCNC(=O)CNS(=O)(=O)c1ccccc1F 811027430 QLAQSCJKOFMJHM-UHFFFAOYSA-N 314.338 -0.130 30 20 DBED C=C[C@@H](O)C(=O)OCC(=O)Nc1cc(-n2cnnn2)ccc1F 814546637 HOFZQHGRYQLGJY-LLVKDONJSA-N 321.268 -0.170 30 20 DBED C[C@@](C#N)(CC(=O)O)C(=O)OCCN1CCCS1(=O)=O 819866399 WNTAYVUYERMCNQ-NSHDSACASA-N 304.324 -0.430 30 20 DBED C#CCNC(=O)COC(=O)[C@H]1C[C@H]2C=C[C@H]1N(C(=O)OC)C2 821102848 VRGOYQMDMRUEKF-GRYCIOLGSA-N 306.318 -0.078 30 20 DBED C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)NC)CC1)C(C)C 854068263 IFMKCUVUFOPDLL-LLVKDONJSA-N 302.400 -0.564 30 20 DBED N#Cc1ccc(NCCNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)nc1 858400560 BXOJIWKJAAXFJD-WDEREUQCSA-N 303.322 -0.486 30 20 DBED C=C(CN(C)C)C(=O)NCC1(NC(=O)C(=C)CN(C)C)COC1 870198393 BJTLHHYSSGFJBC-UHFFFAOYSA-N 324.425 -0.777 30 20 DBED C#CCCN1CCN(C(=O)Cn2ccc(C(=O)OC)n2)CC1 878423072 CVIURHDNUAOLPC-UHFFFAOYSA-N 304.350 -0.163 30 20 DBED C#CCN1CCC[C@H](NC(=O)N2C[C@@H](O)C[C@@H](C(=O)OC)C2)C1 890363556 PHFZIQKIQVHSIY-RDBSUJKOSA-N 323.393 -0.351 30 20 DBED C[C@@H](C(=O)N(C)CC(=O)NCC#CCN(C)C)n1cccn1 913517726 NHFZVHBOSMPPAD-ZDUSSCGKSA-N 305.382 -0.416 30 20 DBED C#CCN1CCC[C@H](N2C(=O)N[C@@H](Cc3cnc[nH]3)C2=O)C1 925325216 LCWBNJGWOQJGQX-STQMWFEESA-N 301.350 -0.030 30 20 DBED C#CCN1CCC(NC(=O)CCC(=O)N2CCOCC2)CC1 928661060 MJUCGSRXYBKOGF-UHFFFAOYSA-N 307.394 -0.161 30 20 DBED C[C@H](C#N)C(=O)N1CCCN(C(=O)CN2CCCC2=O)CC1 940197058 FRYYRQIIWVCTQB-GFCCVEGCSA-N 306.366 -0.171 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2CCN(C(=O)c3cnn[nH]3)C2)c1 942369875 BUTASPSKIRFPAW-GFCCVEGCSA-N 310.317 -0.175 30 20 DBED Cn1cnc(C(=O)NC[C@H]2CN(C(=O)C#CC3CC3)CCO2)n1 944586105 IJWOELVZNXVFCN-LBPRGKRZSA-N 317.349 -0.814 30 20 DBED C[C@H]1CN(C(=O)C#CC2CC2)CC[C@@H]1NC(=O)c1nnn(C)n1 945311523 JEPAMJLKNVAZKB-JQWIXIFHSA-N 316.365 -0.410 30 20 DBED C#CCN1CC[C@H](NC(=O)CN2CC(=O)N(C)C2=O)C[C@H]1C 947925065 JMQACJUKYYZMHH-NEPJUHHUSA-N 306.366 -0.517 30 20 DBED COc1nn(C)cc1C(=O)NC[C@@H]1CCN1C(=O)[C@@H](C)C#N 951456759 BKPZYNBERIGHDV-UWVGGRQHSA-N 305.338 -0.081 30 20 DBED C[C@@H](C#N)C(=O)N1CC(N(C)C(=O)C2CCN(C(N)=O)CC2)C1 954253220 NVEBGKKWCDDGOI-JTQLQIEISA-N 321.381 -0.394 30 20 DBED CN(C(=O)[C@H]1CCC(=O)NC1)C1CN(C(=O)C#CC2CC2)C1 954717425 YQKXPRKFIRHNNZ-LBPRGKRZSA-N 303.362 -0.405 30 20 DBED CC#CCN1C[C@@H](O)[C@H](CNC(=O)c2cn(C)c(C)cc2=O)C1 958151621 KLNVMWJEVONQIZ-CZUORRHYSA-N 317.389 -0.260 30 20 DBED CC#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cnc3n2CCOC3)C1 958153406 UDXIXJHPUPRJKR-GXTWGEPZSA-N 318.377 -0.541 30 20 DBED C=CCN1C[C@@H](O)[C@H](CNC(=O)c2c(C)c(C)nn(C)c2=O)C1 958309769 QPKPBPTZLFZWLN-CHWSQXEVSA-N 320.393 -0.394 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2cnccc2N(C)C)C1 958598594 KLGMRZDNSZCIQH-IUODEOHRSA-N 302.378 -0.197 30 20 DBED C=CCN1C[C@@H](O)[C@@H](CNC(=O)c2cncc(C(N)=O)c2)C1 958698097 SURBAKVTOBUUBK-QWHCGFSZSA-N 304.350 -0.611 30 20 DBED C#Cc1cncc(C(=O)N[C@H]2[C@@H]3CN([C@H]4CCN(C)C4=O)C[C@@H]32)c1 961723444 RFZNKKWMXISUJX-XUWVNRHRSA-N 324.384 -0.046 30 20 DBED N#CCN1C[C@H]2[C@H](NC(=O)c3cn(C[C@@H]4CCOC4)nn3)[C@H]2C1 962176871 PWBLAVCAACJWRG-CIQGVGRVSA-N 316.365 -0.502 30 20 DBED C[C@@H]1C[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 962346869 INXWCTMWJQCHPK-DXLKZPDWSA-N 302.334 -0.156 30 20 DBED N#CCN1C[C@H]2[C@H](NC(=O)c3ccnc(-n4cncn4)c3)[C@H]2C1 963014545 GBMNJDFTWOJULV-IMRBUKKESA-N 309.333 -0.154 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@H]3[C@H]2CCCN3C(=O)C(N)=O)[nH]1 963508408 FYLHCKPCWHFHRX-NEPJUHHUSA-N 315.333 -0.423 30 20 DBED C#CCN1CC([C@@H](C)NC(=O)c2ccc(=O)n(CCOC)n2)C1 970104070 GYAFNEPMTCUGQM-GFCCVEGCSA-N 318.377 -0.427 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@H](NC(=O)Cn2cncn2)C1 970755701 MMTNHYCBCXPSRV-MNOVXSKESA-N 307.354 -0.822 30 20 DBED O=C(N[C@H]1[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]21)C1CS(=O)(=O)C1 976560779 GNLZVXUPUCAWRE-IMRBUKKESA-N 322.386 -0.983 30 20 DBED C#CCCN1C[C@@H](NC(=O)CN2CCC(=O)NC2=O)C(C)(C)C1 977452727 UCTDEBWEKRVAHG-GFCCVEGCSA-N 320.393 -0.222 30 20 DBED C=C(C)CN1C[C@H]2C(CNC(=O)C3CC(=O)NC(=O)C3)[C@@H]2C1 978851351 DNISQHNZEVIJDK-STQMWFEESA-N 305.378 -0.091 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CC[C@H]3CN(C(=O)C(N)=O)C[C@H]32)c1 979925847 DNMPAFCKDAOGGX-HBNTYKKESA-N 315.333 -0.662 30 20 DBED N#Cc1ccc(C(=O)NC2CN(C(=O)CCn3cncn3)C2)[nH]1 990883341 AXUOEDBWTOKAIV-UHFFFAOYSA-N 313.321 -0.491 30 20 DBED C#CCN1CC[C@@]2(NC(=O)c3cnc(O)n(C)c3=O)CCC[C@@H]12 992100625 RROHIOGODQBQEK-WBMJQRKESA-N 316.361 -0.154 30 20 DBED Cc1cnc2nc(C(=O)NC3CN(C(=O)[C@H](C)C#N)C3)nn2c1 994423186 HUHODENEFPUAQO-SECBINFHSA-N 313.321 -0.467 30 20 DBED C=CCCN1CC=C(CNC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 1001215697 DRPACIAECAJIQS-LBPRGKRZSA-N 306.366 -0.091 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CC(N)=O)c[nH]1 1002130776 REDATRNYXHINBP-UTUOFQBUSA-N 315.333 -0.377 30 20 DBED CCN1CCOC[C@@H]1C(=O)NCC1CN(C(=O)[C@H](C)C#N)C1 1002971149 JCPLKKVBFZNCGH-DGCLKSJQSA-N 308.382 -0.559 30 20 DBED C[C@H](NC(=O)[C@@H]1COCCN1C)C1CN(C(=O)C#CC2CC2)C1 1005927886 HEWDWXIMEJVGMG-WFASDCNBSA-N 319.405 -0.307 30 20 DBED C#CCN1CCC[C@@H](NC(=O)[C@@H]2CCc3nnc(O)n3C2)C1 1007686443 KJVCYXFRTGJDTP-VXGBXAGGSA-N 303.366 -0.240 30 20 DBED C=C(Cl)CN1CCC[C@@H](NC(=O)Cn2ncn(C)c2=O)C1 1007699988 RHZYWZFMURUXTI-LLVKDONJSA-N 313.789 -0.085 30 20 DBED C=C(C)C(C)(C)C(=O)N1C[C@H]2C(NC(=O)[C@H]3CNC(=O)N3)[C@@H]2C1 1013681594 RQXJAGWODTXQLD-GMTAPVOTSA-N 320.393 -0.157 30 20 DBED C[C@@H]1CC[C@H](NC(=O)C(N)=O)CN1C(=O)c1cc(C#N)c[nH]1 1018373023 RJEKCFPGYXSRLW-SCZZXKLOSA-N 303.322 -0.519 30 20 DBED C[C@@H](C#N)C(=O)N1CCCO[C@H](CNC(=O)c2ncn(C)n2)C1 1019581290 SVNYKLDPBRBBLY-WDEREUQCSA-N 320.353 -0.678 30 20 DBED CN1CC[C@H](N[C@H]2C[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)C1=O 1021990703 QJFVTOPCOGEZLM-LOWVWBTDSA-N 301.350 -0.033 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]2CN(C(=O)c3cn(C)c(O)n3)C[C@H]21 1022566539 GOIXYQCMOFTOEN-JBLDHEPKSA-N 317.349 -0.042 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2O)c1 1025551851 RCGZLFGPLCLKRE-ZLKJLUDKSA-N 312.329 -0.476 30 20 DBED C#CCN[C@@H]1CC[C@H]2CN(C(=O)c3cn(CCOC)nn3)C[C@H]21 1026263480 IRKBYZQRJUBUMJ-BFHYXJOUSA-N 317.393 -0.002 30 20 DBED CN(CC#N)[C@@H]1CCCN(C(=O)CC[C@@H]2NC(=O)NC2=O)C1 1027672977 BDZYEACUBMOWTM-MNOVXSKESA-N 307.354 -0.579 30 20 DBED CC#CCN1CCC[C@H]1CNC(=O)[C@@H]1COCCN1C(C)=O 1028327119 UFJVWDZCESLVPA-GJZGRUSLSA-N 307.394 -0.162 30 20 DBED CC(=O)N1CCOC[C@H]1C(=O)N1C[C@@H]2CC[C@H](C1)N2CC#N 1029589755 WGJKJZNGWSAGLL-MJBXVCDLSA-N 306.366 -0.568 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](CN(C)Cc2nc(=O)n(C)[nH]2)C1 1029678990 VCMKIZVJZJZPQD-WDEREUQCSA-N 306.370 -0.452 30 20 DBED C=CCN[C@H]1CC[C@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)CC1 1034798167 ZADMBPYSKXLARZ-SRVKXCTJSA-N 301.412 -0.119 30 20 DBED N#CCN1CCO[C@H](CNC(=O)[C@@H]2CCc3cncn3C2)C1 1035419677 RMDRGKDWVYQGGR-TZMCWYRMSA-N 303.366 -0.214 30 20 DBED C#Cc1cncc(C(=O)N[C@H]2[C@H]3C[C@H]2N(Cc2nc(O)n[nH]2)C3)c1 1037581333 DBMZLKDNQFKZMK-SCRDCRAPSA-N 324.344 -0.111 30 20 DBED C#CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)c1c2n(c(=O)n1C)CCCC2 1037587132 WPCYBRLLUBXIDX-XBFCOCLRSA-N 314.389 -0.041 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2[C@H]3C[C@H]2N(Cc2nnn(C)n2)C3)cn1 1037680684 QQGFZLNOBFMJHG-LNSITVRQSA-N 323.360 -0.411 30 20 DBED C#CCCN1CC[C@H]1CNC(=O)[C@@H]1CCc2nnc(O)n2C1 1038421323 FGQFHGVDRFGJLM-NEPJUHHUSA-N 303.366 -0.240 30 20 DBED CN(C[C@H]1CCCCN1C(=O)C(N)=O)c1nccnc1C#N 1039977234 HVJAEODSXVDKQH-SNVBAGLBSA-N 302.338 -0.349 30 20 DBED N#Cc1nccnc1N1C[C@@H](O)[C@H](NC(=O)c2ccns2)C1 1041188391 JBNLDBPNAVRESQ-NXEZZACHSA-N 316.346 -0.216 30 20 DBED Cn1c(O)ncc(C(=O)N2CC[C@@]3(CCN(CC#N)C3)C2)c1=O 1041531822 KNKHKEMEJYMMGP-OAHLLOKOSA-N 317.349 -0.453 30 20 DBED C=CCN1CC[C@@H](N2CC[C@]3(CCN(C(=O)C(N)=O)C3)C2)C1=O 1041621634 DTNPFQJHHLDTLZ-WBMJQRKESA-N 320.393 -0.817 30 20 DBED Cc1nn(CC(=O)N2CC[C@H]3CCN(CC#N)[C@H]3C2)c(=O)n1C 1042331408 BOSNASVEOZOIIF-OLZOCXBDSA-N 318.381 -0.663 30 20 DBED C=C(C)CN1CC(N(C)C(=O)Cn2ccc(=O)n(C)c2=O)C1 1042846942 SHPINHAKSZLKAD-UHFFFAOYSA-N 306.366 -0.734 30 20 DBED Cn1nncc1C(=O)NCC1(O)CN(C(=O)C#CC(C)(C)C)C1 1042849645 NAFPGXAINJOYQY-UHFFFAOYSA-N 319.365 -0.832 30 20 DBED CO[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1NC(=O)c1cnon1 1042877379 SZAFZZJIDQVODO-GHMZBOCLSA-N 315.293 -0.635 30 20 DBED C=CCCCC(=O)N1CC(O)(CNC(=O)Cc2nnc(C)o2)C1 1042892042 PMMVZKDJEOAHGW-UHFFFAOYSA-N 322.365 -0.034 30 20 DBED C=CCCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2ncc[nH]2)C1 1042931700 UPCPTEZYUPBQAU-NSHDSACASA-N 322.365 -0.306 30 20 DBED C[C@]1(C(=O)N[C@@H]2CN(c3cnc(C#N)cn3)C[C@@H]2O)CCOC1 1044145779 ZFUGXCRZTZDVSF-XUJVJEKNSA-N 317.349 -0.559 30 20 DBED C#CCN[C@@H]1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)[C@@H](C)C1 1044775031 JECYGPKOBUWQHN-QWHCGFSZSA-N 318.377 -0.471 30 20 DBED C=CCCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)[C@@H](C)C#N)C1 1045541635 ZQWDSGAKIXJGLM-RYUDHWBXSA-N 309.366 -0.183 30 20 DBED CN(C(=O)c1ccnn1CC(F)F)[C@H]1CN(CC#N)C[C@@H]1O 1047379499 CUFSUELDMXAQAE-QWRGUYRKSA-N 313.308 -0.211 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCc3n[nH]cc32)C1 1047380922 ADMIGWBTWCWBGW-CQDKDKBSSA-N 302.378 -0.034 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)COCC2CC2)C1 1048361870 KZEBEOAIXZHHSG-DRZSPHRISA-N 309.366 -0.397 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CN(C[C@H](O)Cn3cccn3)C[C@@H]2C1 1048725979 YAOKWDCMQVNCIS-KBXIAJHMSA-N 317.393 -0.206 30 20 DBED N#Cc1cncc(N2CC[C@@H]3CN(C(=O)CC(N)=O)C[C@@H]3C2)n1 1049270005 SALOQLRZRLBYKJ-MNOVXSKESA-N 314.349 -0.492 30 20 DBED C=CCCCC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CNC(=O)N2)C[C@@H]1O 1049360861 LWNBUFGZFVTEBP-SRVKXCTJSA-N 324.381 -0.946 30 20 DBED Cc1nonc1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)C#N)C1 1049409157 ZGLVGVUXNLHMFC-HGNGGELXSA-N 307.310 -0.819 30 20 DBED N#CCN1C[C@@H]2CCCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)[C@@H]2C1 1050152420 OWMCXSZZLNWGAO-GARJFASQSA-N 305.338 -0.969 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)c1cc2n(n1)CCCO2 1051018190 RVFITTLGNUEPSV-LBPRGKRZSA-N 304.350 -0.271 30 20 DBED C=CCN1CCOC[C@H]1CNC(=O)[C@@H]1Cc2cncn2C(=O)N1 1051042026 ZVGRMRHVXKSXQH-OLZOCXBDSA-N 319.365 -0.632 30 20 DBED CCC(=O)N1CC[C@@H](C(=O)NC[C@H]2COCCN2CC#N)C1 1051196420 CDBJRWGRVVCSSO-OLZOCXBDSA-N 308.382 -0.415 30 20 DBED N#CCN1CCN([C@@H]2CCN(C(=O)C[C@@H]3COC(=O)C3)C2)CC1 1052013133 ROWYOQVTTVDZSV-UONOGXRCSA-N 320.393 -0.318 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1CNC(=O)CCNC(N)=O 1052554368 OOXRZTQYYIAZBF-YPMHNXCESA-N 320.393 -0.331 30 20 DBED N#CCN1CC2(C1)CN(C(=O)[C@@H]1CN3CCC[C@H]3CO1)CCO2 1053262840 FCZQKSBKOMBTIF-KBPBESRZSA-N 320.393 -0.714 30 20 DBED C[C@H](C(N)=O)N1CC2(C[C@H](NC(=O)c3c[nH]c(C#N)c3)CO2)C1 1053778535 CYCNVTGOSFZNJK-SKDRFNHKSA-N 317.349 -0.667 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)[C@H]3CC(=O)N(CC)C3)CO2)C1 1053822239 JMRHMZGTMPHIAC-STQMWFEESA-N 305.378 -0.553 30 20 DBED C=C(Cl)CN1CC2(C[C@@H](NC(=O)Cn3cncn3)CO2)C1 1054000879 MCRQZAVBQKVBTB-LLVKDONJSA-N 311.773 -0.010 30 20 DBED N#Cc1nccnc1N1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1 1056023897 DHNLBSUKUGFQQG-ZJUUUORDSA-N 300.322 -0.882 30 20 DBED CCC(=O)NCC(=O)N1CCC[C@@](CO)(NC(=O)[C@H](C)C#N)C1 1056092939 FQHOYPQKLCPGBC-IAQYHMDHSA-N 324.381 -0.858 30 20 DBED Cc1ccn(CC(=O)N2CC[C@@H](N=c3cc[nH]c(C#N)n3)C2)n1 1056782903 RCDHZIPXUFPHHZ-GFCCVEGCSA-N 311.349 -0.012 30 20 DBED CN(c1ccc(C#N)nn1)[C@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1 1056947347 BASKZBWOTHPWJX-RYUDHWBXSA-N 314.349 -0.336 30 20 DBED C=CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)c1cn(C)cn1 1057346458 AVTKITAPPMBDHY-LBPRGKRZSA-N 324.381 -0.438 30 20 DBED COC[C@H](C)C(=O)NCCN(CCO)C(=O)c1ccc(C#N)[nH]1 1057367396 YOPOHAVUUXCURW-NSHDSACASA-N 322.365 -0.280 30 20 DBED N#Cc1cc(C(=O)N(CCO)CCNC(=O)c2cnco2)c[nH]1 1057397361 YCQDNXKGGPLRJO-UHFFFAOYSA-N 317.305 -0.261 30 20 DBED CCn1nccc1C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N 1057422175 WXOHMJBCCAPBID-NSHDSACASA-N 307.354 -0.387 30 20 DBED C=CCCCC(=O)NCCN(CCO)C(=O)Cn1nccn1 1057701206 WKADLVLQTBFDGD-UHFFFAOYSA-N 309.370 -0.429 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)C[C@H]1CCN(C)C1 1058157750 HIOZZPMGFWSABZ-QWHCGFSZSA-N 310.398 -0.575 30 20 DBED CN1C[C@@H](C(=O)N[C@H]2CCN(c3nccnc3C#N)C2)NC1=O 1058504205 JLAGRYJJACPLCM-ONGXEEELSA-N 315.337 -0.933 30 20 DBED C[C@@]1(C(=O)N[C@H]2CCN(c3cncc(C#N)n3)C2)CCC(=O)N1 1058536170 CWMHTICPSABLKB-BONVTDFDSA-N 314.349 -0.288 30 20 DBED Cc1nc[nH]c1CC(=O)NCCN(CCO)C(=O)[C@H](C)C#N 1058655188 SOCGZZQTUZKCNN-SNVBAGLBSA-N 307.354 -0.643 30 20 DBED N#Cc1nc(=N[C@H]2C[C@H](NC(=O)CN3CCCC3)C2)cc[nH]1 1059233388 FEECIEYCYHJMNL-HAQNSBGRSA-N 300.366 -0.075 30 20 DBED C#CCCCC(=O)N1CC2(CCN(C(=O)CNC(N)=O)CC2)C1 1060985339 FUNFSNRMTVJNAW-UHFFFAOYSA-N 320.393 -0.091 30 20 DBED Cc1cnn(CC(=O)NC[C@@H]2COCCN2C(=O)[C@H](C)C#N)c1 1061370573 WSGVZJQCJNUITK-CHWSQXEVSA-N 319.365 -0.305 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)CCc1cnc[nH]1 1061663578 OUMCWHHHCMTCHC-DGCLKSJQSA-N 319.365 -0.154 30 20 DBED CN(C(=O)c1cnnn1C)[C@H]1CCN(c2cnc(C#N)cn2)C1 1062928366 HTSOCKFKOXRFTI-NSHDSACASA-N 312.337 -0.172 30 20 DBED CNC(=O)NCC(=O)NC1(CNC(=O)C#CC2CC2)CCC1 1062978867 CDHLMWXGZCIXPQ-UHFFFAOYSA-N 306.366 -0.516 30 20 DBED N#Cc1nc(=NC[C@H]2CCCC[C@@H]2NC(=O)C(N)=O)cc[nH]1 1064189224 PMTRBEOYIQTMRT-ZJUUUORDSA-N 302.338 -0.658 30 20 DBED Cc1cc(C#N)nc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)c2nc[nH]n2)n1 1064284124 AWZWMFDLRHPCIP-DVVUODLYSA-N 310.321 -0.218 30 20 DBED N#Cc1cnc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)Cc2nc[nH]n2)cn1 1064294099 HDIJFWJURGGUKN-YACGNSKGSA-N 310.321 -0.598 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)CN(C)C(C)=O)CCO1 1064883497 QFSBIEMVLZBKQY-AWEZNQCLSA-N 323.393 -0.388 30 20 DBED C=CCOCC(=O)N1CCO[C@@H](CNC(=O)[C@H](C)OCC)C1 1064976501 KFEAYZFVGMXIRJ-STQMWFEESA-N 314.382 -0.042 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCO[C@H](CNC(=O)COC)C1 1065097071 OELISBSEXMPIBL-BXUZGUMPSA-N 300.355 -0.697 30 20 DBED Cn1nncc1C(=O)N[C@@]1(C)CCN(c2cnc(C#N)cn2)C1 1065251211 SAEDCYCDBOESJQ-AWEZNQCLSA-N 312.337 -0.124 30 20 DBED COCCOCC(=O)NC[C@H]1CN(C(=O)[C@@H](C)C#N)CCO1 1065556315 GLYYHKMWUJEVAR-RYUDHWBXSA-N 313.354 -0.847 30 20 DBED C#CCO[C@H](C)C(=O)N1CC2(CN(C(=O)CCOC)CCO2)C1 1068273740 IOSGHPPAQGNIHU-CYBMUJFWSA-N 324.377 -0.499 30 20 DBED CC(C)C#CC(=O)N[C@H]1COC2(C1)CN(C(=O)CC(N)=O)C2 1068855763 MYBDRGWDUHUEMY-LLVKDONJSA-N 307.350 -0.993 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1COC2(C1)CN(C(=O)c1ccnnc1)C2 1069008796 VHOWOOGQZRUFQX-PWSUYJOCSA-N 315.333 -0.264 30 20 DBED C=C[C@](C)(CC)C(=O)N[C@@H]1COC2(C1)CN(C(=O)CC(N)=O)C2 1069016562 BIAVEIAJAMHHBE-XHDPSFHLSA-N 323.393 -0.050 30 20 DBED C[C@H]1C[C@H](Nc2cnc(C#N)cn2)CN1C(=O)c1nnn(C)n1 1069178304 MHTRNJUFJVKSIO-IUCAKERBSA-N 313.325 -0.413 30 20 DBED C#CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2n[nH]cc2C)C1 1069923851 OAFKKMZNJOESTF-OLZOCXBDSA-N 313.365 -0.012 30 20 DBED C=CCC(C)(C)C(=O)NCC1(NC(=O)C(N)=O)CCOCC1 1070228718 LCTSBGRRJPPVBF-UHFFFAOYSA-N 311.382 -0.144 30 20 DBED CN1CCC(C(=O)N2C[C@H](n3ccnn3)[C@H](NCC#N)C2)CC1 1070267856 UBEARYMWJNOJQQ-KGLIPLIRSA-N 317.397 -0.515 30 20 DBED CNC(=O)C1(C(=O)N[C@@H]2CCCN(C(=O)[C@@H](C)C#N)C2)CC1 1071229543 SUVQOCVYZGDQBI-WDEREUQCSA-N 306.366 -0.221 30 20 DBED C#CCOCCC(=O)N1C[C@@H](NC(=O)c2cnn[nH]2)[C@H](C)C1 1072094242 QTZQPFKSKFZKFR-ZYHUDNBSSA-N 305.338 -0.579 30 20 DBED C#CCOCCC(=O)N[C@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1C 1072522398 SZCIQRKKYPBUPO-MNOVXSKESA-N 305.338 -0.579 30 20 DBED N#CCN1CCO[C@@H]2CCN(C(=O)c3ccc(C(N)=O)o3)C[C@H]21 1074292360 UCUXKQDUZOUOBK-GHMZBOCLSA-N 318.333 -0.183 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC[C@H](C)NC(=O)c1c[nH]c(=O)cn1 1076305300 VTAHWEWEQOOBJP-ZUZCIYMTSA-N 322.365 -0.278 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2cccc3nc(O)[nH]c23)C1 1077152895 QPYVIDGTXREAOX-GHMZBOCLSA-N 301.306 -0.433 30 20 DBED C#CCOc1ncccc1C(=O)NCC[C@H](C)NC(=O)C(N)=O 1077623216 XGRGHEHKFXOIKH-JTQLQIEISA-N 318.333 -0.797 30 20 DBED C[C@@H](CCNC(=O)[C@@H](C)C#N)NC(=O)CCn1cnccc1=O 1078136358 KPGIEDUSSIAGLZ-RYUDHWBXSA-N 319.365 -0.196 30 20 DBED C=CCCC(=O)N[C@@H](C)CCNC(=O)[C@@H](C)NS(C)(=O)=O 1078737490 CAQYUERCIXQRML-WDEREUQCSA-N 319.427 -0.099 30 20 DBED N#CCSCC(=O)NC[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 1081287146 UDEVFMVWSWMKHX-STQMWFEESA-N 321.402 -0.408 30 20 DBED N#CCSCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2cn[nH]c2)C1 1081295380 PNILUZOFVOLJDD-GHMZBOCLSA-N 323.378 -0.784 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)c2cncn2C)C[C@H]1O 1081337680 HPVYSHJSZBGOGD-DGCLKSJQSA-N 306.366 -0.065 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)CC(=O)N(C)C)C[C@@H]1O 1081445064 QPAYLQSXGDFSNW-OLZOCXBDSA-N 323.393 -0.796 30 20 DBED Cc1cc(C(=O)N2C[C@H](O)[C@H](CNC(=O)C#CC3CC3)C2)n[nH]1 1081472400 XVMYAIYEVAWMKL-OCCSQVGLSA-N 316.361 -0.319 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cccnn2)C1 1081687489 GSTBJGPTSMAQOK-YPMHNXCESA-N 304.350 -0.008 30 20 DBED C=CCC1(C(=O)N2C[C@@H](O)[C@H](CNC(=O)C(N)=O)C2)CCCC1 1081718898 JSLRTKQTDQHJJX-VXGBXAGGSA-N 323.393 -0.456 30 20 DBED C=CCN1CC[C@@H](N2C[C@H](O)[C@H](NC(=O)c3ccc[nH]3)C2)C1=O 1083337313 MOAJIBABDPEASM-MCIONIFRSA-N 318.377 -0.424 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)c2cnn3cc(C)cnc23)C1 1083827084 ZYIYBNPMRWQWSO-KGLIPLIRSA-N 313.361 -0.164 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)[C@H]2CCc3nn[nH]c3C2)C1 1083950059 XTENUGIBQAATGE-GDLCADMTSA-N 305.382 -0.353 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H]2C[C@H](N[C@H]3CCNC3=O)C2)c1 1086336740 MXMHOKQVACQVQO-DLOVCJGASA-N 301.350 -0.127 30 20 DBED C[C@H](C[C@@H](C)NC(=O)c1nnn(C)n1)N=c1cc[nH]cc1C#N 1089447060 CWFOTGGOEIQJPM-NXEZZACHSA-N 314.353 -0.092 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2cn(C)ccc2=O)[C@@H](O)C1 1090421120 UEHPVFKITBVTQR-HIFRSBDPSA-N 303.362 -0.426 30 20 DBED CC(C)(C(N)=O)C(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@H]1O 1090502393 PDPHQUAYFIFUCJ-GHMZBOCLSA-N 317.349 -0.870 30 20 DBED CC(C)(C(=O)N[C@H]1CCN(CC#N)C[C@H]1O)N1CCOCC1 1090640119 GYQYKSJICKWAJO-QWHCGFSZSA-N 310.398 -0.828 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CCN(CCCO)C[C@H]2O)nc1 1090736283 HTIKZRUMARPJDK-UKRRQHHQSA-N 303.362 -0.390 30 20 DBED C=CCCN1CC[C@H](NC(=O)CN2C(=O)CN(C)C2=O)[C@@H](O)C1 1090794427 PUSADDUIPRCLEH-RYUDHWBXSA-N 324.381 -0.992 30 20 DBED COCCC(=O)N[C@@H]1CCN(c2nccnc2C#N)C[C@H]1O 1092131771 KIIZJIYKVPQCNF-ZYHUDNBSSA-N 305.338 -0.559 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H]1[C@@H]2CN(c3nccnc3C#N)C[C@@H]21 1093310121 FKDUVWOPHVKSQX-CIQGVGRVSA-N 311.345 -0.063 30 20 DBED N#Cc1nc(=NCCNC(=O)CNC(=O)C2CCC2)cc[nH]1 1093672869 AOKBGQLNRALWBV-UHFFFAOYSA-N 302.338 -0.785 30 20 DBED C=CCN1CC(n2cc(CNC(=O)c3cn(C)nn3)nn2)C1 1094288157 FUTXWTHPGUJBMO-UHFFFAOYSA-N 302.342 -0.621 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)Cc3cncs3)CC2=O)C1 1094747247 NGNRPITWFOLUNX-NSHDSACASA-N 318.402 -0.280 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)c3ccnc(C)n3)CC2=O)C1 1094818089 WXKQSJBTWSZXIV-LBPRGKRZSA-N 315.377 -0.014 30 20 DBED CNC(=O)CC(=O)NCC1CCN(c2cncc(C#N)n2)CC1 1095350341 KMVJRYYGKZNHLE-UHFFFAOYSA-N 316.365 -0.183 30 20 DBED C[C@H](CC(N)=O)C(=O)NC1CCN(c2ccc(C#N)nn2)CC1 1095438171 CFNSUPZJLQDCSU-SNVBAGLBSA-N 316.365 -0.055 30 20 DBED CN(CCCNC(=O)C(C)(C)C(N)=O)c1nccnc1C#N 1095662392 WLSHHPBBJCWTIW-UHFFFAOYSA-N 304.354 -0.198 30 20 DBED CC[C@H](NC(C)=O)C(=O)N1CC[C@H](N=c2cc[nH]c(C#N)n2)C1 1096979472 XCJFUBWFMPWCHT-RYUDHWBXSA-N 316.365 -0.302 30 20 DBED C[C@H](CNC(=O)[C@@H]1CCS(=O)(=O)N1)Nc1ncccc1C#N 1097875619 VVDGQHCDKLUYNP-KOLCDFICSA-N 323.378 -0.438 30 20 DBED C#CCNCc1cn([C@@H]2CCN(C(=O)[C@H](C)CC(N)=O)C2)nn1 1098698689 XFFNHCRNNDFIFF-DGCLKSJQSA-N 318.381 -0.714 30 20 DBED C#CCN1C[C@H]2[C@H]3CC[C@@H]([C@H]2C1)N(C(=O)CCNC(N)=O)C3 1099552321 LEAHRVIQTFTSSA-XUXIUFHCSA-N 304.394 -0.153 30 20 DBED CC(C)C#CC(=O)N[C@H]1CCN(CCN2CCCC2=O)C[C@@H]1O 1099820927 MZVUPDNZPNJCFA-GJZGRUSLSA-N 321.421 -0.180 30 20 DBED Cn1nnnc1CN1CC[C@@H](NC(=O)C#CC(C)(C)C)[C@H](O)C1 1099827423 XDKORIHOABHTPX-VXGBXAGGSA-N 320.397 -0.689 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)CCNS(C)(=O)=O)[C@H](O)C1 1099860951 KJWMBRCFNFZRFX-VXGBXAGGSA-N 319.427 -0.947 30 20 DBED Cc1cc(COCC(=O)N[C@@H]2CCN(CC#N)C[C@@H]2O)no1 1099891053 ZKGFFEYLLGPXIT-OLZOCXBDSA-N 308.338 -0.425 30 20 DBED CN(CCNC(=O)c1cc(=O)n(C)o1)c1ccnc(C#N)n1 1100077781 WKRPZRJLSOGFJD-UHFFFAOYSA-N 302.294 -0.494 30 20 DBED CN(CCNC(=O)C[C@H]1CCC(=O)NC1)c1ccnc(C#N)n1 1100182794 SODBBKLNEMLRLL-LLVKDONJSA-N 316.365 -0.183 30 20 DBED CN(CCNC(=O)[C@@H]1CCCNC1=O)c1cnc(C#N)cn1 1100185359 WGARMCWTIIEFTF-LLVKDONJSA-N 302.338 -0.573 30 20 DBED Cc1nc(O)[nH]c1C(=O)NCCN(C)c1nccnc1C#N 1100189544 OQQGJDFDNPQLNM-UHFFFAOYSA-N 301.310 -0.048 30 20 DBED N#CCNC(=O)CNC1CC(CNC(=O)C[C@@H]2COC(=O)C2)C1 1100247377 CJBFXZQHJMHEAC-CXQJBGSLSA-N 322.365 -0.936 30 20 DBED Cc1cc(C#N)nc(N(C)CCNC(=O)[C@H]2CN(C)C(=O)N2)n1 1100255601 XOTCDMICXOKBPW-LLVKDONJSA-N 317.353 -0.767 30 20 DBED CNC(=O)NC(=O)[C@@H](C)NC1CC(CNC(=O)C#CC2CC2)C1 1100315697 AQNOGWNFASQZES-QFWMXSHPSA-N 320.393 -0.272 30 20 DBED CCN(CCNC(=O)C1(C(N)=O)CC1)c1nccnc1C#N 1100698538 BTTCVQKGLDFZSX-UHFFFAOYSA-N 302.338 -0.444 30 20 DBED CCNC(=O)CC(=O)NC[C@@H]1CCCN1c1cnc(C#N)cn1 1100831909 LXNICLYHMIIESA-LBPRGKRZSA-N 316.365 -0.041 30 20 DBED N#Cc1cccnc1N(CCNC(=O)[C@@H]1CNC(=O)N1)C1CC1 1101432573 DRESVLOOKSHDBF-LBPRGKRZSA-N 314.349 -0.280 30 20 DBED CN(CCN=c1cc[nH]cc1C#N)C(=O)C[C@@H]1CC(=O)NC1=O 1101680398 LAAMJSCADDWFIC-JTQLQIEISA-N 315.333 -0.702 30 20 DBED CNC(=O)NC(=O)CN1C[C@@H](C)[C@H](CNC(=O)[C@H](C)C#N)C1 1101823434 AZBWSZWFNKJAOR-GMTAPVOTSA-N 309.370 -0.714 30 20 DBED C=CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)[C@H]2CCN(C)C2)C1 1102578276 TXWYYRMYFCGXRU-QLFBSQMISA-N 322.453 -0.076 30 20 DBED CC[C@@H](CNC(=O)c1cc(=O)n(C)o1)N=c1cc[nH]c(C#N)n1 1103070883 SPDRPUHDZYZJEP-VIFPVBQESA-N 316.321 -0.318 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)[C@H]1COCCO1 1103880076 RRIVNLFGAUDUEL-GHMZBOCLSA-N 305.338 -0.650 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)Cc1cncnc1 1103940959 FEXYDDAFKMYTFL-NSHDSACASA-N 311.349 -0.033 30 20 DBED CNC(=O)NCC(=O)N(C)[C@H](C)CNc1nc(C)cc(C#N)n1 1104856288 NKBBFLJJUDAMHE-SNVBAGLBSA-N 319.369 -0.156 30 20 DBED C=C[C@@](C)(CC)C(=O)N1CC(n2cc(CNCC(N)=O)nn2)C1 1105322609 XFPSZNXUHJVLEQ-HNNXBMFYSA-N 320.397 -0.161 30 20 DBED C#CCCN[C@@H]1C[C@@]2(C[C@H]1O)CN(C(=O)CC(N)=O)[C@H]2C(C)C 1105610591 LHRNWQKEZBQGID-UTJXIGIESA-N 321.421 -0.149 30 20 DBED Cc1ncncc1C(=O)NC[C@@H](O)CNc1ccc(C#N)nn1 1105722936 CIXXRRNPJHPUTR-NSHDSACASA-N 313.321 -0.351 30 20 DBED Cc1nc(C(=O)NC[C@@H](O)CN=c2cc[nH]cc2C#N)co1 1105798876 NWXDVWZEXLLRSC-NSHDSACASA-N 301.306 -0.126 30 20 DBED CCc1nc(C#N)cc(NC[C@@H](O)CNC(=O)c2nc[nH]n2)n1 1105932350 HLIGDGHJOGFIQS-SECBINFHSA-N 316.325 -0.768 30 20 DBED Cc1conc1C(=O)NC[C@@H](O)CNc1ccc(C#N)nn1 1105954692 CNBDCZNGEUOUPZ-JTQLQIEISA-N 302.294 -0.153 30 20 DBED Cc1nocc1C(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1 1106083568 QNEFBESAZZSOSD-SECBINFHSA-N 302.294 -0.731 30 20 DBED CCCC(=O)NCC(=O)N[C@H](C)CCN=c1cc[nH]c(C#N)n1 1106236936 GYSIKSVMBIRQEI-LLVKDONJSA-N 318.381 -0.007 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)CN2C(=O)CN(C)C2=O)C[C@H]1C 1106960123 BRQJMGNJZWWZMS-CHWSQXEVSA-N 320.393 -0.412 30 20 DBED CC(=O)N[C@@H](C)C(=O)NC/C=C/CNc1cnc(C#N)cn1 1107021400 RYKSEXMSFFOHHR-FSIBCCDJSA-N 302.338 -0.043 30 20 DBED N#Cc1cnc(NC/C=C/CNC(=O)[C@@H]2CCNC(=O)C2)cn1 1107122218 OWUGZHPULLWFMX-FMBMQGQPSA-N 314.349 -0.041 30 20 DBED N#Cc1cnc(NC/C=C/CNC(=O)[C@@H]2CCC(=O)N2)cn1 1107280158 IHTODBNQMGNKCZ-GXFZAYBSSA-N 300.322 -0.289 30 20 DBED CN1C[C@@H](C(=O)NC/C=C\CN=c2cc[nH]cc2C#N)NC1=O 1107450598 GTQWRIVHKRTYQC-ZRMMWKCHSA-N 314.349 -0.517 30 20 DBED CNC(=O)CN1CCO[C@](C)(CNC(=O)c2ccc(C#N)[nH]2)C1 1107875972 GCJIOICMMZTQIT-OAHLLOKOSA-N 319.365 -0.547 30 20 DBED C[C@]1(CNC(=O)[C@@H]2CCCS2(=O)=O)CN(CC#N)CCO1 1108408715 JRMXQQINTWWFFR-AAEUAGOBSA-N 315.395 -0.706 30 20 DBED C[C@@H](CN=c1cc[nH]cc1C#N)NC(=O)[C@H]1CCN(C)C1=O 1108646820 JRIVXXZUZMXGFW-CMPLNLGQSA-N 301.350 -0.230 30 20 DBED N#Cc1nccc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)CCc2nc[nH]n2)n1 1109692676 CBHXKEMRRWTSDA-HFBDOXOYSA-N 324.348 -0.208 30 20 DBED C=CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C[C@H](NC(C)=O)C(N)=O 1111108801 SYLCBERVTGMGPP-NDBYEHHHSA-N 308.382 -0.726 30 20 DBED CO[C@@H](C)C(=O)N[C@@]1(CO)CCCN(c2cncc(C#N)n2)C1 1111336494 QUKSKTQEDFDZFQ-NHYWBVRUSA-N 319.365 -0.169 30 20 DBED Cc1ocnc1C(=O)N(CCO)CCN=c1cc[nH]c(C#N)n1 1111439707 CIHGRBQXFSCCAJ-UHFFFAOYSA-N 316.321 -0.387 30 20 DBED N#Cc1cncc(NCCN(CCO)C(=O)c2cocn2)n1 1111445119 MBWFZSYPZABQFD-UHFFFAOYSA-N 302.294 -0.117 30 20 DBED CNC(=O)NCC(=O)N1C[C@H](C)[C@H](Nc2ccc(C#N)nn2)C1 1112341095 YYQWQULLCABLBQ-GXSJLCMTSA-N 317.353 -0.464 30 20 DBED CCOc1cc(C(=O)N2CCN(CC(=O)NCC#N)CC2)[nH]n1 1113000325 YBFDWKZGBMMIOO-UHFFFAOYSA-N 320.353 -0.794 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)CSCC#N)[C@H]2C1 1113899905 WNMBGCNSCBMOHT-SRVKXCTJSA-N 322.434 -0.020 30 20 DBED C=CCOCC(=O)N[C@H]1[C@@H]2CN([C@@H]3CCCN(C)C3=O)C[C@@H]21 1114047502 HATLAZVPTOUUJW-COMQUAJESA-N 307.394 -0.144 30 20 DBED CC(=O)NCC(=O)N1C[C@@H](CN=c2cc[nH]c(C#N)n2)C[C@H]1C 1114659215 FKHGHHZAFABDIW-ZYHUDNBSSA-N 316.365 -0.445 30 20 DBED CO[C@H](CC(C)C)C(=O)NC1[C@H]2CN(CC(=O)NCC#N)C[C@H]12 1114803683 MPVWLWLFEWCTDY-RWMBFGLXSA-N 322.409 -0.266 30 20 DBED C[C@@H](CN(C)C(=O)c1cnn(C)n1)N=c1cc[nH]c(C#N)n1 1115774079 SPTBFVYGQFNHHG-VIFPVBQESA-N 300.326 -0.529 30 20 DBED CC(=O)N[C@H]1CCCN(C(=O)COC(=O)CSCC#N)C1 1115880669 PMUPXLJCPKDNMF-NSHDSACASA-N 313.379 -0.087 30 20 DBED COC(=O)NC1CN(C(=O)C(=O)N2CCC[C@H](CC#N)C2)C1 1118521613 UURBZRNRJDRXLN-SNVBAGLBSA-N 308.338 -0.295 30 20 DBED CNS(=O)(=O)CC(=O)NCC1(NCC#N)CCCCC1 1120152666 CSAGHPZANDEVPR-UHFFFAOYSA-N 302.400 -0.532 30 20 DBED C=CCCCn1nnnc1N1CCN(S(=O)(=O)NC)CC1 1120179943 CSZUAVKCOAYQAT-UHFFFAOYSA-N 315.403 -0.775 30 20 DBED C[C@@H](CN(C)C(=O)[C@H]1CN(C)C(=O)N1)Nc1ccc(C#N)nn1 1120406242 AXJMLGNISXYSTA-GXSJLCMTSA-N 317.353 -0.369 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](CO)N=c1ccc2ncc[nH]c-2n1 1121214114 WVQFSFVUBSQFKM-VHSXEESVSA-N 300.322 -0.553 30 20 DBED N#Cc1cncc(N[C@@H](CO)CNC(=O)c2ccc(O)nc2)n1 1121550703 XFVJTGQWUQDKRR-LLVKDONJSA-N 314.305 -0.348 30 20 DBED Cc1ncn(C)c1C(=O)NC[C@H](CO)Nc1nccnc1C#N 1122147550 MLONRLAMMCEYPE-SNVBAGLBSA-N 315.337 -0.407 30 20 DBED C[C@]1(C(=O)NC[C@@H](CO)Nc2ccc(C#N)cn2)CNC(=O)C1 1122254345 JXTFTOUNFXSQOJ-XHDPSFHLSA-N 317.349 -0.632 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)[C@@H]2[C@H]3COC[C@H]32)nn1 1122371406 BAEDKZAISDBSRK-MEWQQHAOSA-N 303.322 -0.870 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)c1nccnc1N 1125029454 WAYRXTQFEHWRCC-UHFFFAOYSA-N 319.369 -0.860 30 20 DBED N#Cc1c[nH]c(C(=O)NCCNCC(=O)NCC(F)(F)F)c1 1125385948 VIWMAQVCXGMOPW-UHFFFAOYSA-N 317.271 -0.116 30 20 DBED COCCc1noc(CNCCNC(=O)c2cc(C#N)c[nH]2)n1 1125390908 IXEAULKNAWCGHQ-UHFFFAOYSA-N 318.337 -0.022 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)c1ccc(C#N)[nH]1 1125776681 UPFGOWTUCQUNJZ-UHFFFAOYSA-N 318.337 -0.782 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)C1=CCOCC1 1126114583 KWZOYCPALKAIJJ-UHFFFAOYSA-N 308.382 -0.199 30 20 DBED C=C[C@](C)(O)CC(=O)NCCNC[C@H](C)CS(C)(=O)=O 1126382759 BKENOSFODGJYII-AAEUAGOBSA-N 306.428 -0.300 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@H](n2ccnn2)[C@H](NCC#CC)C1 1129829438 HLHFDSHFTMUTQN-ZNMIVQPWSA-N 315.377 -0.319 30 20 DBED COCC#CCNCCNC(=O)[C@@]1(CC(C)C)CCNC1=O 1129878309 LQALMALQOQKUEP-MRXNPFEDSA-N 309.410 -0.106 30 20 DBED CC(C)C#CC(=O)NCc1c[nH]nc1[C@@H]1CCN(CC(N)=O)C1 1130386346 HKDPXJYSKYBMBC-GFCCVEGCSA-N 317.393 -0.040 30 20 DBED C=CCOCCN1CC[C@@H](c2n[nH]cc2CNC(=O)C(N)=O)C1 1130417970 MZYREORROBWAFQ-LLVKDONJSA-N 321.381 -0.497 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)Cn2nccn2)CC[C@H]1C 1132060831 LQOTWZVSROAJKW-OLZOCXBDSA-N 320.397 -0.451 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)c1cc(C)[nH]n1 1133866903 OHGJKOKDUDUWCZ-WDEREUQCSA-N 305.382 -0.046 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H](CC(=C)C)NC(C)=O 1134821386 PLKNTEACNRXYKV-TZMCWYRMSA-N 322.409 -0.699 30 20 DBED C=CCn1cc(C(=O)NCCNC[C@@H]2CCNC(=O)CC2)nn1 1134969054 CAXUTGXUZKPNBJ-LBPRGKRZSA-N 320.397 -0.300 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)C1(C(=O)NC)CC1 1135664424 GIIBRWHPYMFKAQ-VXGBXAGGSA-N 322.409 -0.865 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)Cc1[nH]cnc1C 1136031383 KCNVQAPAYOSHTP-NWDGAFQWSA-N 319.409 -0.117 30 20 DBED CCc1cnc(O)c(C(=O)NCCNCC(=O)NCC#N)c1 1146184284 YQYZQYMKWKPHFO-UHFFFAOYSA-N 305.338 -0.691 30 20 DBED COCC#CCN[C@H](C)C[C@@H](C)NC(=O)c1cn(C)c(=O)n1C 1146673305 XPIGYIAWQFGMNQ-CHWSQXEVSA-N 322.409 -0.140 30 20 DBED C[C@H](C(N)=O)N1CCCO[C@@H](CNC(=O)CSCC#N)C1 1149206034 DJXPIHZIABKDTG-MNOVXSKESA-N 314.411 -0.676 30 20 DBED C=CCCN1CCCO[C@@H](CNC(=O)Cn2cnnc2O)C1 1149565191 BWFKLYGJRGJXGE-LBPRGKRZSA-N 309.370 -0.233 30 20 DBED N#Cc1ccc(CNCCNC(=O)CN2C(=O)CNC2=O)cc1 1150350129 YDGIJMIMIJDNAW-UHFFFAOYSA-N 315.333 -0.684 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@H](C)N(CC)CC(=O)NC(N)=O 1153018603 JRSQJHBFOBLIRT-YGRLFVJLSA-N 314.386 -0.665 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cc2n(c1)CCCC2 1153924092 JFBJJVGYRBSYMZ-UHFFFAOYSA-N 302.378 -0.107 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)[C@H]1CC(=O)N(CC)C1 1159275645 FNEOFULDQFGAPE-OLZOCXBDSA-N 322.409 -0.911 30 20 DBED C#CCN1CCC(C(=O)NCCCNCC(=O)NC2CC2)CC1 1176926545 PFKNRDNBCUAONT-UHFFFAOYSA-N 320.437 -0.294 30 20 DBED C#CCNC[C@H]1CCN(C(=O)CN2CC(=O)N(C)C2=O)C[C@H]1C 1185493377 VAMPEXZYHIIGLD-CHWSQXEVSA-N 320.393 -0.412 30 20 DBED Cc1cc(CCC(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)no1 1185586483 OOLNTBGDIHIBTB-CYBMUJFWSA-N 319.365 -0.254 30 20 DBED C#CCNC[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C[C@@H]1C 1185641841 ROBAIPRVFPPYDP-RYUDHWBXSA-N 306.366 -0.754 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2ccc(F)cn2)C1 1192351883 HLBNYJWFXREFBO-CHWSQXEVSA-N 322.340 -0.702 30 20 DBED C=C(C)CN(C)[C@@H]1CCN(C(=O)CNS(=O)(=O)N(C)C)C1 1192597486 UFVLHJQMNBRLCB-GFCCVEGCSA-N 318.443 -0.509 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)[C@H](C)NC(=O)COC)C1 1193166900 OAJLAVPURCDZQD-YNEHKIRRSA-N 313.398 -0.735 30 20 DBED CN(CC#N)[C@@H]1CCN(C(=O)CCNC(=O)c2cnccn2)C1 1194097691 FBDOQOKQSNUYLM-GFCCVEGCSA-N 316.365 -0.347 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)[C@H](C)S(C)(=O)=O)C1 1194167896 DQIDBGJCJKUJGE-QJPTWQEYSA-N 304.412 -0.453 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)C(C)(C)N2CCCC2)C1 1195215684 XQLRIOGXJFIFRX-HUUCEWRRSA-N 323.437 -0.328 30 20 DBED COCC#CCN1CCCN(C(=O)[C@@H]2COCCN2C)CC1 1195516188 YTYMECUPKPYVAN-HNNXBMFYSA-N 309.410 -0.499 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)c2cnn(CC)n2)CC1 1195710160 MDDQBBPLASAUSM-UHFFFAOYSA-N 320.397 -0.252 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN([C@@H](C)C(=O)NC(N)=O)C[C@H]2O)C1 1196020680 OBPPIIFMIPTYQO-HBNTYKKESA-N 324.381 -0.913 30 20 DBED C#CCN1CCCN(C(=O)CN(C)CC(=O)NC(C)C)CC1 1196424167 VAZCGXSPIUGRBG-UHFFFAOYSA-N 308.426 -0.390 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)[C@@H](C)NC(C)=O)CC1 1199194510 DRUSKPDGOPZNKN-LLVKDONJSA-N 310.398 -0.606 30 20 DBED N#CCSCC(=O)N1CCC(NCCOCCO)CC1 1199388450 XAZXTCGXFUGZHB-UHFFFAOYSA-N 301.412 -0.167 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)[C@@H]2C[C@@H]2OCC)CC1 1199484940 IONIXCDLPQGACE-KGLIPLIRSA-N 307.394 -0.259 30 20 DBED COCCn1nccc1C(=O)N1CCCO[C@H](CNCC#N)C1 1200778810 WVOYKPSHOQWNLC-CYBMUJFWSA-N 321.381 -0.126 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)CCCO1 1201412378 ZXYIYIXHYRKECN-KFWWJZLASA-N 321.421 -0.059 30 20 DBED C#CCN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)CNS(=O)(=O)CC)C2 1204408591 PFIFWNJXTJMKKV-JHJVBQTASA-N 313.423 -0.472 30 20 DBED C=CCNCC1CCN(C(=O)c2cn(CC(N)=O)nn2)CC1 1206952391 MYDJDWCEPSMQBH-UHFFFAOYSA-N 306.370 -0.609 30 20 DBED COCCCNC(=O)CN[C@H]1CCCN(C(=O)[C@H](C)C#N)C1 1207687488 GKBMEYNVHYNGFP-OLZOCXBDSA-N 310.398 -0.121 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)Cc2cnc(C)o2)C1 1208329504 XEOGABLMTBFRNL-ZDUSSCGKSA-N 318.377 -0.144 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)c2n[nH]cc2F)[C@H](C)C1 1208520283 CSGQGVYECOGWBQ-CKYFFXLPSA-N 321.356 -0.263 30 20 DBED CC#CCN1C[C@@H](NC(=O)[C@]2(COC)CCOC2)[C@H](OC)C1 1213226205 GEFKAYWBZJMTDS-FMKPAKJESA-N 310.394 -0.122 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)c2conc2C)[C@H](OC)C1 1213368570 FZLSLVDJJNLRBW-CHWSQXEVSA-N 322.365 -0.286 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H](C)NC(=O)COC 1217975277 ANOUOHFQUGRZJZ-HZSPNIEDSA-N 323.393 -0.928 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CN(CCOC[C@@H]2CCCO2)C[C@@H]1O 1219594882 ZBQLSZXNMLKODW-XHSDSOJGSA-N 322.405 -0.243 30 20 DBED Cn1nncc1CN1C[C@H](O)[C@H](NC(=O)C#CC(C)(C)C)C1 1219596424 VALZCPHFVRERML-OLZOCXBDSA-N 305.382 -0.474 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)C(C)(C)CS(C)(=O)=O)C1 1221132116 SHBQMUNFWFVBDP-NEPJUHHUSA-N 316.423 -0.758 30 20 DBED COCC#CCN1CC[C@@H]2CN(C(=O)[C@@H]3CN(C)C(=O)N3)[C@@H]2C1 1221731275 AFZDTQUQAHBVSC-HZSPNIEDSA-N 320.393 -0.808 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC(CNC(=O)CCN(C)C)CC1 1224346527 LKQGEAMHZPFKOV-AWEZNQCLSA-N 322.453 -0.096 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)c2cnn(C)c2C)CC1 1226038306 PCSYNSWPAYDWAZ-UHFFFAOYSA-N 317.393 -0.328 30 20 DBED C=CCO[C@@H](C)C(=O)NC1CCN(CC(=O)NC(N)=O)CC1 1230407824 ZOSZILBKZPBRBM-JTQLQIEISA-N 312.370 -0.647 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC(NC(=O)c2nonc2C)CC1 1230442980 XWLOJUGDQDHMLC-LLVKDONJSA-N 319.365 -0.290 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)Cc1cnc(C)o1 1235300657 AUWZCYURKFDDDB-CYBMUJFWSA-N 318.377 -0.192 30 20 DBED N#CCOc1cccc(NC(=O)C(=O)N[C@H]2CNC(=O)C2)c1 1320579730 JCYKVTSEHWUXHZ-SNVBAGLBSA-N 302.290 -0.468 30 20 DBED CN(CCC#N)C(=O)C(=O)Nc1ccc(S(C)(=O)=O)nc1 1321270818 BKLZXYXITMHRRZ-UHFFFAOYSA-N 310.335 -0.204 30 20 DBED C=C(C)CN(CC)C(=O)C(=O)NC1CC(NS(C)(=O)=O)C1 1322529338 VFQSAAZSOIJXHH-UHFFFAOYSA-N 317.411 -0.393 30 20 DBED COCCCN(C)CCNC(=O)C(=O)N1CC[C@](F)(C#N)C1 1323075203 VQQAWRUMTJVNTF-AWEZNQCLSA-N 314.361 -0.465 30 20 DBED C#CCOCCNC(=O)C(=O)NCc1nn(C)c2ccccc12 1323354648 IWVZZZIJTBPCST-UHFFFAOYSA-N 314.345 -0.045 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@H]1CC(=O)N(C2CC2)C1)[C@@H]1CCCO1 1325430885 IDDDMGPZIPZDGQ-DRZSPHRISA-N 319.361 -0.837 30 20 DBED CO[C@@H]1CS(=O)(=O)C[C@H]1/N=C\c1c(CO)cnc(C)c1O 1327264451 NHRLSORSOTWLRR-QPZNUSERSA-N 314.363 -0.181 30 20 DBED C[C@H](CNC(=O)C(=O)N1CCC[C@@H](CC#N)C1)S(C)(=O)=O 1328070493 VSUCKIAMTKZPOJ-MNOVXSKESA-N 315.395 -0.312 30 20 DBED C=CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)[C@@H](C)COC 1329911294 KLDDCXXPIYTTLE-RYUDHWBXSA-N 304.412 -0.187 30 20 DBED O=C(N[C@@H]1CCCN(O)C1=O)c1cn(C2CCOCC2)nn1 1332907212 JUCGFBRMGAUTKJ-SNVBAGLBSA-N 309.326 -0.260 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N2CCCC[C@H]2CN)CCN1C1CC1 1336948662 UIWGEGFNSPLNNS-UONOGXRCSA-N 319.409 -0.475 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)N2C[C@H]3C=C[C@H]2C3)CCN1C1CC1 1338171560 FLKYCJSFBSGEFE-UBHSHLNASA-N 300.362 -0.028 30 20 DBED CNC(=O)c1ccc(C(=O)[C@@H](C#N)C(=O)NCCCOC)cn1 1341883226 IZWYVMLXXSJKAW-LLVKDONJSA-N 318.333 -0.084 30 20 DBED N#Cc1cn(CCC(=O)N2[C@H]3CC[C@H]2CC(O)C3)c(=O)nc1O 1362003642 PIFHJHHPYGQTFX-QWRGUYRKSA-N 318.333 -0.275 30 20 DBED CC(C)(O)[C@H]1CCCN1C(=O)CCn1cc(C#N)c(O)nc1=O 1362641510 KSRYCJJKUKDBDO-LLVKDONJSA-N 320.349 -0.027 30 20 DBED N#Cc1cn(CC(=O)N[C@@H]2CCO[C@H](C3CC3)C2)c(=O)nc1O 1362860566 RJIWXCILSRUFLC-NEPJUHHUSA-N 318.333 -0.106 30 20 DBED COC(=O)[C@H]1C[C@H]2CC[C@H]1N(C(=O)Cn1cnc(C#N)n1)C2 1363435268 YPMRWOWBVFCJCF-OUAUKWLOSA-N 303.322 -0.050 30 20 DBED COCCN(CCC#N)S(=O)(=O)NC(C)(C)CNC(N)=O 1365745286 JNSCYDMXYAYILE-UHFFFAOYSA-N 321.403 -0.870 30 20 DBED Cn1cc(C(=O)NC[C@@H](O)CNCc2ccc(C#N)s2)nn1 1367581144 IDHYQEXGOUBVBE-VIFPVBQESA-N 320.378 -0.371 30 20 DBED C[C@@H](C#N)C(=O)NC1CN(C(=O)[C@H](C)NC(=O)c2ccoc2)C1 1387805854 HXWMPPKWSVYGGZ-UWVGGRQHSA-N 318.333 -0.115 30 20 DBED CCS(=O)(=O)CC(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H](C)C#N)C1 1396536957 FECTYVWARDPNQQ-GARJFASQSA-N 315.395 -0.408 30 20 DBED COCCN1C[C@@H](C(=O)N(C)CCNC(=O)[C@H](C)C#N)CC1=O 1408674320 WANHJESGSLFIPZ-NEPJUHHUSA-N 324.381 -0.784 30 20 DBED CS(=O)(=O)NC(=O)CCNC(=O)c1ccccc1CC#N 1412824290 HIZRVPIYFCBSIR-UHFFFAOYSA-N 309.347 -0.052 30 20 DBED CCC(=O)NCC(=O)N(C)CCN(C)C(=O)c1c[nH]c(C#N)c1 1416647484 NAOIFWKUWOBZNO-UHFFFAOYSA-N 319.365 -0.057 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CCN(C(=O)CCn2ccnn2)C1 1429579323 DYYWUEVEFWDWQQ-NEPJUHHUSA-N 304.354 -0.113 30 20 DBED Cc1cnc(COCC(=O)N2CC(NC(=O)[C@H](C)C#N)C2)o1 1430286449 BQUZAJAARDJRAA-SECBINFHSA-N 306.322 -0.014 30 20 DBED C[C@@H](C#N)C(=O)NC1CN(C(=O)c2ccc(C(N)=O)cc2)C1 1432344981 XWTALTVRILBQNV-VIFPVBQESA-N 300.318 -0.114 30 20 DBED CC[C@@H](C)[C@H](O)CNC(=O)CCn1cc(C#N)c(O)nc1=O 1433794359 NXLXPULLCDLBFT-MWLCHTKSSA-N 308.338 -0.266 30 20 DBED C[C@@H](C#N)C(=O)NCC1CN(C(=O)c2ccc(C(N)=O)nc2)C1 1450711406 LDHJBNZOKIYOCX-VIFPVBQESA-N 315.333 -0.472 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)CCCC(N)=O)[C@@H]2C1 1452788990 ZPVKOCNBOWNASU-QJPTWQEYSA-N 306.366 -0.139 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H](O)CNC(=O)[C@@H]2CCCO2)c1 1457899290 ASZTUZDYYAGPJO-JQWIXIFHSA-N 306.322 -0.728 30 20 DBED C[C@@H](C#N)C(=O)NCC1CN(Cc2nnc3n2CCOC3)C1 1481617728 POMIPPFLLLIWSY-JTQLQIEISA-N 304.354 -0.484 30 20 DBED C[C@H](NCC1(O)CCN(C(=O)[C@H](C)C#N)CC1)c1nncn1C 1484949381 FPERUFFCBPCNLK-NEPJUHHUSA-N 320.397 -0.021 30 20 DBED CCCNC(=O)CN1CCN(CCNC(=O)[C@H](C)C#N)CC1 1490486260 SVQLMOCEXQGPAN-CYBMUJFWSA-N 309.414 -0.594 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)[C@@H]2COC(=O)N2)CCCC1 1499540367 GLNDKRAYVMJDIL-UWVGGRQHSA-N 308.338 -0.200 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC[C@@H]1CNCCc1cnn[nH]1 1575012676 FVZPHLMDYRAKKL-GXTWGEPZSA-N 305.382 -0.034 30 20 DBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CCNC1 1576253730 YQRMIBYOPVCJNQ-PWSUYJOCSA-N 322.390 -0.297 30 20 DBED Cn1c(=O)[nH]c(NCc2cccc(-c3nn[nH]n3)c2)c(C#N)c1=O 1581747290 HJMKRKHCXDYEOD-UHFFFAOYSA-N 324.304 -0.263 30 20 DBED N#Cc1c(-c2nn[nH]n2)nc(N)n1CCc1ccc(C(N)=O)cc1 1581860804 UFRMGVROOQANKT-UHFFFAOYSA-N 323.320 -0.141 30 20 DBED C=CCNC(=O)CNC(=O)N1CC[C@@H](n2cc(C(=O)O)nn2)C1 1588844731 QKUUVYKJIIQPEW-SECBINFHSA-N 322.325 -0.765 30 20 DBED CC#CC[C@H](CO)NS(=O)(=O)c1cc(C(=O)O)cn1C 1588925255 NYZWXYDLTQJCGN-SNVBAGLBSA-N 300.336 -0.224 30 20 DBED Cc1nc(C#N)c(-c2nn[nH]n2)n1CC(=O)N1CCO[C@@H](C)C1 1592340584 JAGZTEJAMDHVGO-QMMMGPOBSA-N 316.325 -0.509 30 20 DBED N#Cc1nc(NC(=O)c2cnn3ncccc23)[nH]c1-c1nn[nH]n1 1592682413 ZKLAZKNCTUSZTF-UHFFFAOYSA-N 321.264 -0.244 30 20 DBED C=CC[C@@H](CO)CNS(=O)(=O)c1n[nH]c(C)c1C(=O)O 1602841948 AYKSBVLAVNDJNG-MRVPVSSYSA-N 303.340 -0.121 30 20 DBED C=CCO[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C)[C@H](C(=O)O)C2)C1 1602906453 GOBJIJCZFKWESR-IJLUTSLNSA-N 310.350 -0.031 30 20 DBED CO[C@H]1CN2[C@@](C)(C1)C(=NNCCC(=O)O)CS2(=O)=O 1604504567 COSUHZZTUOBPJC-KCJUWKMLSA-N 305.356 -0.771 30 20 DBED CCN(CCC#N)C(=O)Cn1c(N)nc(-c2nn[nH]n2)c1C#N 1609223818 OFEVLMSPCNVLGJ-UHFFFAOYSA-N 314.313 -0.721 30 20 DBED N#C[C@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)Nc1nn[nH]n1 1609492838 BSMBNWBFGFYQEY-VIFPVBQESA-N 310.281 -0.299 30 20 DBED CC(=O)N[C@@H](CC(=O)NCc1cc(C#N)ccc1F)C(N)=O 1646284600 MRAJAXIRPVDVAT-LBPRGKRZSA-N 306.297 -0.306 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)c2cncc(C#C)c2)C1 1665487347 MWCRULMOSJYZNZ-HNNXBMFYSA-N 310.357 -0.384 30 20 DBED CC[C@@H](C(=O)N1CC[C@H](CN(C)CC(=O)NCC#N)C1)N(C)C 1732075013 BECDTJSKDLIQRC-KGLIPLIRSA-N 323.441 -0.253 30 20 DBED C=CCNC(=O)CN(C)CCNC(=O)c1cn(C2CCC2)nn1 1753049570 IMBKBXYKVIKUHA-UHFFFAOYSA-N 320.397 -0.033 30 20 DBED C=CCNC(=O)CN1CCC[C@H]1CNC(=O)Cc1cc[nH]n1 1753097539 PXZYENNACUEPBC-ZDUSSCGKSA-N 305.382 -0.165 30 20 DBED Cc1cc(C(=O)N(C)[C@@H]2CCN(CC(=O)NCC#N)C2)cnn1 1753435660 WCPWLKNFEHKZHS-CYBMUJFWSA-N 316.365 -0.429 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(Cc2cnn(C)n2)CCO1 1753648724 MAQKXODFPDOXJQ-AWEZNQCLSA-N 305.382 -0.209 30 20 DBED COCC#CCNC[C@H](C)N(C)C(=O)CS(=O)(=O)C(C)C 1753726363 KWMUNLXIRBUWOB-ZDUSSCGKSA-N 318.439 -0.104 30 20 DBED CNC(=O)NCC(=O)N1CC[C@@H](NCC#CCOC)[C@H](C)C1 1753754116 FPCMUGLFYDADQW-CHWSQXEVSA-N 310.398 -0.608 30 20 DBED C=CCN1CC[C@@](O)(CNC(=O)c2cc(C)c(C(N)=O)cn2)C1 1754759756 OEXUEFWUCIYGMA-MRXNPFEDSA-N 318.377 -0.158 30 20 DBED COCC#CCN1CC(N2CCN(C(=O)c3cn[nH]c3)CC2)C1 1755144782 QBNNZJKNWUUPBW-UHFFFAOYSA-N 317.393 -0.499 30 20 DBED COCC#CCN1CCN(CCCCCNC(=O)C(N)=O)CC1 1755175227 LIHXGIXPDDIRSR-UHFFFAOYSA-N 324.425 -0.974 30 20 DBED CC#CCN(C)CCOCCNC(=O)c1cc(=O)n(C)cn1 1755541030 URXFTILZNPQLCN-UHFFFAOYSA-N 306.366 -0.518 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)Cc2nonc2C)[C@@H]1C 1755665472 WWVKSMJRKUXEDD-VXGBXAGGSA-N 319.365 -0.751 30 20 DBED C=C[C@](C)(O)CC(=O)N(C)C1CCC(NC(=O)C(N)=O)CC1 1755982084 GBLAIHUAUKDPRO-NWHVRFAMSA-N 311.382 -0.315 30 20 DBED C#CCOCCC(=O)NC[C@H](C)N(C)C(=O)C1CN(C(C)=O)C1 1756027555 RZWICCZMEMLKHA-LBPRGKRZSA-N 323.393 -0.532 30 20 DBED C[C@@H](OCC1CC1)C(=O)NC[C@H](CO)NC(=O)C#CC1CC1 1756507758 ILVNTWBHYMKTAH-BXUZGUMPSA-N 308.378 -0.192 30 20 DBED C=CCC(C)(C)C(=O)N[C@@H](CO)CNC(=O)[C@H]1CCNC1=O 1756539969 IISAXLIQLDHSBM-MNOVXSKESA-N 311.382 -0.682 30 20 DBED CC(C)C#CC(=O)N(C)C1CC(NC(=O)Cn2cnnn2)C1 1756737937 GDNIQDNRNPEDDU-UHFFFAOYSA-N 304.354 -0.562 30 20 DBED C=CCOCC(=O)N1CC[C@H]2CN(C(=O)C3(C(N)=O)CC3)C[C@H]21 1756951599 DCMFUDBQMWXXAZ-NWDGAFQWSA-N 321.377 -0.486 30 20 DBED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCOC3)C2)C1 1785502341 BTYBKZOXBZICRL-CJNGLKHVSA-N 306.362 -0.124 30 20 DBED N#CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnco1)C2 1795078650 JYXPMVATCDSQFU-DDFAGTSDSA-N 304.306 -0.209 30 20 DBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)C3CC(=O)C3)C2)C1 1839811680 JAFKTFFDFGWAOK-MRXNPFEDSA-N 320.345 -0.945 30 20 DBED C=C1CC(C(=O)N2CC3(CCCN3C(=O)CNC(=N)N)C2)C1 1842882321 YPZZKBLSYSCHQV-UHFFFAOYSA-N 305.382 -0.361 30 20 DBED C=C(C(=O)N1CCCC12CN(C(=O)[C@@H](N)CN)C2)C(F)(F)F 1846014436 NWOHXGULOZDENK-VIFPVBQESA-N 320.315 -0.406 30 20 DBED C#CCNC(=O)COC(=O)CNC(=O)COc1ccccc1 7272687 TUAFXKVDUGFLNO-UHFFFAOYSA-N 304.302 -0.526 30 20 DBED C#CCNC(=O)COC(=O)c1ccc2c(c1)C(=O)N(C)C2=O 27585299 ABVONUXMQZRXGN-UHFFFAOYSA-N 300.270 -0.181 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CN(CC)CCO2)CC1 72833400 LGCGTKJHKLJUHL-AWEZNQCLSA-N 324.425 -0.847 30 20 DBED C[C@H]1C[C@H](Nc2c(C#N)c(=O)n(C)c(=O)n2C)CN1C1CC1 133563497 MCNJDYINWBCIPO-UWVGGRQHSA-N 303.366 -0.007 30 20 DBED C=C(C)CN(CC)C(=O)[C@H](C)N1CCN2C(=O)C(=O)NC[C@H]2C1 248185250 XFRKYRSRBLDNGG-STQMWFEESA-N 322.409 -0.558 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)C[C@H]2CCCO2)CC1 265058405 SRJDZICLTBRTCE-CQSZACIVSA-N 307.394 -0.161 30 20 DBED COCCN(CCO)C(=O)C(=O)N1CCc2ccc(C#N)cc21 275769153 HNHKPFPJKDTRHZ-UHFFFAOYSA-N 317.345 -0.085 30 20 DBED CC[C@@](C)(C#N)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 285272865 YNTPJPYIYUPQLG-HNNXBMFYSA-N 306.366 -0.124 30 20 DBED C#CCN(C)C(=O)C(=O)N1CCN(CC(=O)N(CC)CC)CC1 297410260 AQEQKCRTYWAVMW-UHFFFAOYSA-N 322.409 -0.909 30 20 DBED CC1(C)CN(CC/N=C(/O)N2CCS(=O)(=O)CC2)CCO1 329816469 OFGGKYXGKWVNLP-UHFFFAOYSA-N 319.427 -0.258 30 20 DBED C[C@H](CO)C/N=C(/O)NC1CCN(CC(=O)N(C)C)CC1 330685806 UZVGZCUAJRKKJM-NSHDSACASA-N 300.403 -0.329 30 20 DBED CNS(=O)(=O)CC/N=C(/O)N1C[C@H](C)O[C@@H](COC)C1 331268103 RUDLAAKRSLHPNG-VHSXEESVSA-N 309.388 -0.815 30 20 DBED CCS(=O)(=O)NCCS(=O)(=O)N[C@@H]1CCC[C@H]1C#N 331353145 XVQNTYWRSMMBFN-VHSXEESVSA-N 309.413 -0.463 30 20 DBED CCS(=O)(=O)C[C@H](C)NS(=O)(=O)N(C)[C@@H](C)CC#N 332427483 ALBFOFHQZZOPHS-UWVGGRQHSA-N 311.429 -0.122 30 20 DBED N#C[C@@]1(C(=O)N2CCN(S(N)(=O)=O)CC2)CC12CCCC2 333518102 GKGSEXSOOMRTII-CYBMUJFWSA-N 312.395 -0.192 30 20 DBED C=CCn1c(O)nnc1S(=O)(=O)CC(=O)NCC1CCC1 341357483 QTKBSJJYRNLAKQ-UHFFFAOYSA-N 314.367 -0.140 30 20 DBED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc2c(c1)OCO2 347224062 BFLQWECLPCPIFB-UHFFFAOYSA-N 305.290 -0.228 30 20 DBED C=CCCOCCN1C(=O)[C@H]2CS(=O)(=O)CCN2C1=O 349109797 LBWAWUABQZNZHE-SNVBAGLBSA-N 302.352 -0.360 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N[C@]1(C)CCS(=O)(=O)C1 407977611 UARWPTNVYUNUKL-VHSXEESVSA-N 309.413 -0.368 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2C[C@H](C)N[C@@H](C)C2)C1=O 423490268 HQCPCBIJZBAFHJ-AVGNSLFASA-N 322.409 -0.560 30 20 DBED C=CCCn1cc(C(=O)N(C)CC(=O)N2CCOCC2)nn1 424549216 XKJRMUZCPSRRBY-UHFFFAOYSA-N 307.354 -0.215 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)CC(=O)NCC2CC2)CC1 427513424 GQDWBQCGRGXKGJ-UHFFFAOYSA-N 322.409 -0.651 30 20 DBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N(C)CCC(=O)NC 430369107 IEXMSZFNHFCEOL-AAEUAGOBSA-N 311.382 -0.322 30 20 DBED CCS(=O)(=O)N1CC(CNC(=O)c2ccc(C#N)nc2)C1 438933934 RFWUGGYFXCBDBF-UHFFFAOYSA-N 308.363 -0.035 30 20 DBED C=CCCOCCNC(=O)NCC1CN(S(C)(=O)=O)C1 488509616 VQLQVQGYENAYKG-UHFFFAOYSA-N 305.400 -0.230 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CCC(=O)[C@H](C)C2)CC1 491711372 WEYJNPHESQRQIV-ZIAGYGMSSA-N 319.405 -0.115 30 20 DBED CS(=O)(=O)N1CCC[C@H](C(=O)N2CCOC[C@@H]2C#N)C1 528665917 HIXZAQGRYRAACK-QWRGUYRKSA-N 301.368 -0.591 30 20 DBED COCCNC(=O)Cn1cc(N=c2cc[nH]c(C#N)n2)cn1 568107476 OAEFXAYXHNOXTP-UHFFFAOYSA-N 301.310 -0.527 30 20 DBED N#CCNC(=O)CNC(=O)[C@@]1(c2ccccc2)CNC(=O)C1 581951522 FDJCJCLCBILTSS-OAHLLOKOSA-N 300.318 -0.800 30 20 DBED CC[C@H](CNS(=O)(=O)N(CCC#N)CCOC)C(=O)OC 592076943 GFUUBYPQUUPCPM-LLVKDONJSA-N 321.399 -0.118 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N2CCC(CCC(=O)O)CC2)CCO1 595977424 IQDSIGVXMGAHQA-GFCCVEGCSA-N 323.349 -0.159 30 20 DBED CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)Nc1cccc(C#N)n1 596936306 XVGQVFZPXBYMDR-VHSXEESVSA-N 310.335 -0.113 30 20 DBED CC(=O)NC[C@H]1CN(C(=O)Nc2nn(C)cc2C#N)CCO1 610560863 AGKAQGKXXLIOSQ-NSHDSACASA-N 306.326 -0.339 30 20 DBED CN(C[C@@H](O)CN1CCOCC1)C(=O)Nc1nn(C)cc1C#N 610584942 QBVVOBPYHKJCDZ-GFCCVEGCSA-N 322.369 -0.551 30 20 DBED O=C(NCC#CCNC(=O)c1csnn1)c1csnn1 681340558 KSONTJCCZBZTPF-UHFFFAOYSA-N 308.348 -0.447 30 20 DBED C#CCN1CCN(C(=O)c2ccc(=O)n(CCOC)c2)CC1 744419014 FKKJGCDLGJKWSA-UHFFFAOYSA-N 303.362 -0.114 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCC[C@@]12NC(=O)NC2=O 744627760 ZDAJRLAEAKGTGQ-MQIPJXDCSA-N 318.377 -0.422 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCCOCC2)c1=O 748073011 POIAZEACGCAFLH-UHFFFAOYSA-N 322.365 -0.777 30 20 DBED C#CCC[C@@H](O)CNC(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 798387789 CFHRAKCKIKZHPL-VXGBXAGGSA-N 317.411 -0.516 30 20 DBED CC1(C)OCC(NC(=O)C(=O)NC2CCN(CC#N)CC2)CO1 805058740 YLVHWNUGDBYWAF-UHFFFAOYSA-N 324.381 -0.642 30 20 DBED C[C@](C#N)(CC(=O)O)C(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 819832365 AYYWHWWIAYDKPE-JOYOIKCWSA-N 317.367 -0.611 30 20 DBED N#C[C@H]1CNC[C@H]1NC(=O)Cn1nnnc1-c1ccsc1 843460044 LDEZMNNLZQNYJQ-VHSXEESVSA-N 303.351 -0.371 30 20 DBED C=CCC[C@@H]1NC(=O)N(CCNS(=O)(=O)N(C)C)C1=O 925374705 WNNNPKQENOSPFP-VIFPVBQESA-N 304.372 -0.731 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2cnc(O)n(C)c2=O)[C@H](C)C1 942553193 MOAQPFFQZAJWSG-ZYHUDNBSSA-N 304.350 -0.441 30 20 DBED N#Cc1c[nH]c(C(=O)N2CCCC[C@H](NC(=O)C(N)=O)C2)c1 943497154 MYUORNCOPDUTAP-JTQLQIEISA-N 303.322 -0.517 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CCN(C(=O)CC(N)=O)CC1 945585028 IYYWFZPJPCGQNU-NEPJUHHUSA-N 309.366 -0.440 30 20 DBED N#Cc1ccc(C(=O)NC[C@H]2CCC[C@H]2NC(=O)C(N)=O)[nH]1 946291986 LFBHDOPWKMSKNQ-PSASIEDQSA-N 303.322 -0.614 30 20 DBED CC#CCN1CCC[C@@H](N(C)C(=O)Cn2ncn(C)c2=O)CC1 948567380 UGWSGMOKZGYIGL-CQSZACIVSA-N 319.409 -0.082 30 20 DBED CCN1CCOC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)C#CC1CC1 950867657 IMOBDMKSOPOWRN-GJZGRUSLSA-N 319.405 -0.162 30 20 DBED N#Cc1cc(C(=O)NC[C@@H]2CN(Cc3cnon3)C[C@@H]2O)c[nH]1 957980581 WOHDVVNSQAUBNO-MFKMUULPSA-N 316.321 -0.508 30 20 DBED CN(C(=O)C(N)=O)[C@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)CC1 967655799 VSLWCJZJTYZGDF-NSHDSACASA-N 317.349 -0.175 30 20 DBED C=CCCN1CC[C@@H](C)[C@H](NC(=O)c2cn(CC(N)=O)nn2)C1 968682918 VQDWMJVKRLYHFG-VXGBXAGGSA-N 320.397 -0.220 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2O)nc1 969346890 IKHDJCXXORZRSJ-CVEARBPZSA-N 323.352 -0.222 30 20 DBED O=C(Cc1ccco1)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 970009350 RHUVADQTRLPRJZ-KGLIPLIRSA-N 302.330 -0.077 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)CCn3ccnn3)[C@@H]2C1 971940388 XLXBNTYFYAAMCJ-JHJVBQTASA-N 316.365 -0.113 30 20 DBED N#CCN1CCO[C@]2(CCN(C(=O)c3c[nH]c(=O)cn3)C2)C1 972524700 VRQVCUTXIIBFBK-CQSZACIVSA-N 303.322 -0.790 30 20 DBED C=CCN1CC[C@@H](N(C)[C@H]2CCN(C(=O)c3nc[nH]n3)C2)C1=O 972579829 RXDNXTVZPRMCND-NWDGAFQWSA-N 318.381 -0.262 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H]2C[C@H](NC(=O)c3cnon3)C2)c1 973144173 HEWRHTIZRILDBC-KYZUINATSA-N 300.278 -0.040 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)C[C@@H]3CCCC(=O)N3)[C@H]2C1 976897883 VTGOWWVTHWTWLC-QHUBEEEXSA-N 318.377 -0.222 30 20 DBED CN(CC#N)[C@H]1CCN(C(=O)CN2C(=O)NC(C)(C)C2=O)C1 980322047 IHGWXGHTTXMKEN-JTQLQIEISA-N 307.354 -0.627 30 20 DBED C=C(C)CN1CCCN(C(=O)Cn2cnc(C(N)=O)n2)CC1 981197590 JYWOTKKTEQDZFQ-UHFFFAOYSA-N 306.370 -0.513 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(NC(=O)c2ncn(C)n2)C1 991182001 IQWWCSAVMFTCFN-NEPJUHHUSA-N 319.365 -0.263 30 20 DBED C=CCCn1cc(C(=O)NC2CN(C(=O)c3cn[nH]c3)C2)nn1 991978473 AQFLAIGFEUBGHG-UHFFFAOYSA-N 315.337 -0.168 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CN(C(=O)Cn3ncnn3)C[C@@]2(C)C1 993354412 RPYWOCQNKIHVAF-GYSYKLTISA-N 317.353 -0.860 30 20 DBED C#Cc1cncc(C(=O)NC2CN(C(=O)[C@@H]3CCC(=O)N3)C2)c1 999310865 OMQSHKJFSRMRIL-ZDUSSCGKSA-N 312.329 -0.718 30 20 DBED Cc1nc(C(=O)N2CCC[C@@H](NCC#N)C2)nn1-c1nc[nH]n1 999840043 CIQDSRMSRJATPN-SNVBAGLBSA-N 315.341 -0.588 30 20 DBED Cn1cc(C(=O)NCC2=CCN(CC#N)CC2)c(O)nc1=O 1001442384 HXFZAZBKTFSBJS-UHFFFAOYSA-N 303.322 -0.629 30 20 DBED CC(=O)N1CC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H](C)C#N)C1 1002262939 YVJXZJKTYFWJMT-JXJLXUTGSA-N 318.377 -0.128 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCCCN1C(=O)C(N)=O 1005529345 WIJFNVGPTUDJOB-XQQFMLRXSA-N 323.393 -0.050 30 20 DBED COc1c(O)nc(O)nc1C(=O)N(C)C1CCN(CC#N)CC1 1006288027 DNLVMAVEUOSDDC-UHFFFAOYSA-N 321.337 -0.044 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CN(C(=O)C(N)=O)CC1(C)C 1008612886 MQMLRWUORRVASI-VWYCJHECSA-N 309.366 -0.584 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NCC1[C@H]2CN(C(=O)C(N)=O)C[C@H]12 1009109769 OORHNFDZQMOHMZ-JHEVNIALSA-N 321.377 -0.727 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)c3ncccn3)C2)C1=O 1031130757 IAYHRHVRGGPTQQ-GFCCVEGCSA-N 301.350 -0.323 30 20 DBED C#CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](Cn1cccn1)N(C)C 1032444063 IYMAEIMEHRWWPV-SOUVJXGZSA-N 301.394 -0.268 30 20 DBED N#CCN1CC2(CCN(C(=O)[C@@H]3CCCN3C(N)=O)CC2)C1 1035866070 JFRAVLGNNYIZPS-LBPRGKRZSA-N 305.382 -0.023 30 20 DBED CC(C)C#CC(=O)NC[C@]1(O)CCN(C(=O)CC(=O)N(C)C)C1 1039668478 WUIADCCJYRGJOP-MRXNPFEDSA-N 323.393 -0.796 30 20 DBED O=C(C#CC1CC1)NC[C@@]1(O)CCN(C(=O)Cn2cccn2)C1 1039678411 VSCFUVBLPLOGRN-INIZCTEOSA-N 316.361 -0.624 30 20 DBED CN1CC[C@H](C(=O)NC[C@]2(O)CCN(C(=O)C#CC3CC3)C2)C1 1039760469 NDFHTVWSYVUTJL-WMLDXEAASA-N 319.405 -0.569 30 20 DBED C#CCOCCC(=O)N1CC[C@@](O)(CNC(=O)[C@@H](F)CC)C1 1040556024 DKOMIXSZCVUCJZ-SWLSCSKDSA-N 314.357 -0.146 30 20 DBED N#Cc1cnc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[C@@H]3C(F)F)C2)cn1 1041007935 KYTKNYGDGHJYPC-UKKRHICBSA-N 323.303 -0.085 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(O)(CNC(=O)CSC)C1 1041362928 RQTDJZBGUNTZIZ-MNOVXSKESA-N 314.407 -0.370 30 20 DBED Cc1[nH]ccc1C(=O)N1CC(O)(CNC(=O)CSCC#N)C1 1041568278 GWKNLELFQMAWGF-UHFFFAOYSA-N 322.390 -0.117 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(O)(CNC(=O)[C@@H](C)SC)C1 1041616512 JGXLJDIBZAHHKW-ZWNOBZJWSA-N 316.423 -0.246 30 20 DBED CC[C@H](OC)C(=O)N1CC(O)(CNC(=O)c2c[nH]c(C#N)c2)C1 1042669086 FHTFTKNHHNLBFJ-LBPRGKRZSA-N 320.349 -0.386 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)C#CC(C)C)C1 1042941043 TVPPTNCAHRFBMB-UHFFFAOYSA-N 306.362 -0.625 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CN3CCC2CC3)C1 1043179864 HCILXFOCTDAQGF-CQSZACIVSA-N 321.421 -0.016 30 20 DBED C=CCn1cc(C(=O)N(C)C2CN(Cc3nncn3C)C2)nn1 1044022330 LFDCDOAJAVNWOX-UHFFFAOYSA-N 316.369 -0.451 30 20 DBED C=C(C)C(C)(C)C(=O)N1CC(O)(CNC(=O)[C@@H]2CCC(=O)N2)C1 1044265249 BDBFLZDSZOTHAG-NSHDSACASA-N 323.393 -0.443 30 20 DBED N#Cc1cncc(N2C[C@H](O)[C@H](NC(=O)c3cnco3)C2)n1 1044361641 MKLFVDAWTOZHJK-ZJUUUORDSA-N 300.278 -0.684 30 20 DBED C=C[C@](C)(CC)C(=O)N1CC(O)(CNC(=O)[C@@H]2CCNC2=O)C1 1044451140 DNBUDKULBZNJCM-IAQYHMDHSA-N 323.393 -0.586 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)[C@@]23CCC[C@@H]2C3)C1 1044602587 BPSZSJBQJRTPJA-CXAGYDPISA-N 320.389 -0.094 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)CCc2cncn2C)C1 1044714827 OLMWDEVEIBPTKK-LLVKDONJSA-N 319.365 -0.798 30 20 DBED C=C[C@@H](C)[C@H](C)C(=O)NCC1(O)CN(C(=O)c2cnnn2C)C1 1044979988 JFXFEWBBAGKIHM-MNOVXSKESA-N 321.381 -0.424 30 20 DBED Cc1cc(C(=O)N2CC(O)(CNC(=O)[C@H](C)C#N)C2)ncn1 1045540819 MFLQPQCUEBIUAX-SECBINFHSA-N 303.322 -0.752 30 20 DBED N#Cc1cncc(N[C@H]2C[C@H](CNC(=O)[C@@H]3CCC(=O)N3)C2)n1 1046862233 WZCOQEUILASZFG-NHCYSSNCSA-N 314.349 -0.066 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CCC(=O)N2)C1 1047562210 JQJHTACEAMGAQO-SRVKXCTJSA-N 315.801 -0.089 30 20 DBED C=C(C)CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cn(C)c(=O)n2C)C1 1047641698 HFMDUSJHYXLWGE-JSGCOSHPSA-N 322.409 -0.193 30 20 DBED C=CCOCC(=O)N(C)[C@H]1CN(C(=O)[C@@H](CC)OC)C[C@@H]1O 1048554783 HKITVWSCRLQOLO-RWMBFGLXSA-N 314.382 -0.356 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)c2cncnc2)C[C@@H]1O 1049393998 GQRNZNSHNKQCTA-USWWRNFRSA-N 303.322 -0.720 30 20 DBED N#CCN1CCOC[C@@H]1CNC(=O)c1cn2cccnc2n1 1050999906 DNZDADMYEBUGPP-NSHDSACASA-N 300.322 -0.317 30 20 DBED N#CCN1CCN([C@H]2CCN(C(=O)c3cnns3)C2)CC1 1051991594 JSKBZCQEVMZZCJ-NSHDSACASA-N 306.395 -0.106 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)Cc3nnc(C)o3)CO2)C1 1053794000 BVJZWULTXNSBIK-GFCCVEGCSA-N 304.350 -0.097 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1COC2(C1)CN(CCO)C2 1053805810 XVZHZNNRSMGYAG-MJBXVCDLSA-N 310.394 -0.081 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)Cn3ccc(C)cc3=O)CO2)C1 1053944003 BESHPQMZDHBKPT-CQSZACIVSA-N 315.373 -0.251 30 20 DBED C#CCCCCC(=O)N1C[C@H]2CN(C(=O)CNC(N)=O)C[C@H]2C1 1055155745 MNXPOUFHEYBZGN-BETUJISGSA-N 320.393 -0.235 30 20 DBED CC(C)C#CC(=O)N1C[C@H]2CN(C(=O)c3nnn(C)n3)C[C@H]2C1 1055329768 WLVMPTCUYPPYRJ-TXEJJXNPSA-N 316.365 -0.600 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@](CO)(NC(=O)c2cc[nH]n2)C1 1055787355 GYLSDKJBARCLJM-HZMBPMFUSA-N 305.338 -0.347 30 20 DBED N#Cc1cccnc1N1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 1055998327 CCGICUNULGSQKV-NSHDSACASA-N 300.322 -0.717 30 20 DBED CC#CCCCC(=O)N[C@]1(CO)CCCN(C(=O)CC(N)=O)C1 1056060460 ZIVXHJDGSXTGSN-MRXNPFEDSA-N 323.393 -0.475 30 20 DBED N#Cc1ccc(N2C[C@@H]3C(NC(=O)Cn4ccnc4)[C@H]3C2)nn1 1056245211 MNPFBUXTXUVKCC-RYUDHWBXSA-N 309.333 -0.204 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)C1=COCCO1 1056877119 ICVYNVGMRRJNQZ-UHFFFAOYSA-N 310.350 -0.529 30 20 DBED Cc1noc(C)c1CC(=O)N(CCO)CCNC(=O)[C@H](C)C#N 1057561543 TUMDIFZZWQWXSK-SNVBAGLBSA-N 322.365 -0.069 30 20 DBED C=CCC(C)(C)C(=O)N(CCO)CCNC(=O)Cc1nc[nH]n1 1057598520 BFDKGZRHZKAAIZ-UHFFFAOYSA-N 323.397 -0.113 30 20 DBED CCc1nc(C#N)cc(N[C@H]2CCCN(C(=O)C(N)=O)C2)n1 1057743947 QDADZRHMBJJNQV-VIFPVBQESA-N 302.338 -0.201 30 20 DBED COc1c(C(=O)N(CCO)CCNC(=O)[C@H](C)C#N)cnn1C 1058264634 GWXYKYVARKTFTH-SNVBAGLBSA-N 323.353 -0.861 30 20 DBED Cc1c(C(=O)N[C@@H]2CCN(c3cnc(C#N)cn3)C2)nnn1C 1058334322 KIAPZPGNJVENII-SNVBAGLBSA-N 312.337 -0.206 30 20 DBED CC(C)(C)C#CC(=O)NCCN(CCO)C(=O)c1cnon1 1058510098 FQAOCZPIIGJADU-UHFFFAOYSA-N 308.338 -0.330 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)CC[C@@H]1CCOC1 1058653460 VXZYTGOOIHCKIH-QWHCGFSZSA-N 311.382 -0.100 30 20 DBED C[C@@H](C#N)C(=O)NCC[C@H]1CCN(C(=O)Cn2cnnn2)C1 1059130004 UHRJOUKZRKKXOU-QWRGUYRKSA-N 305.342 -0.812 30 20 DBED C[C@@H](C#N)C(=O)NCC[C@H]1CCN(C(=O)c2cnn(C)n2)C1 1059931399 VOMXJHKTRYWZQQ-QWRGUYRKSA-N 304.354 -0.057 30 20 DBED N#Cc1cnc(N2CC[C@H](CNC(=O)[C@@H]3COCCO3)C2)cn1 1061525711 NYWOLFOAOPONHL-YPMHNXCESA-N 317.349 -0.294 30 20 DBED C#CCCCCCC(=O)NC[C@H]1COCCN1C(=O)C(N)=O 1061755614 NIMKLYLYIDFKAP-LBPRGKRZSA-N 309.366 -0.601 30 20 DBED CC#CCCCC(=O)NC[C@@H]1COCCN1C(=O)CC(N)=O 1061784438 HKPWMTPSRFFMDZ-GFCCVEGCSA-N 309.366 -0.601 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CCCCN1C(=O)[C@H]1CCC(=O)N1 1062066888 BTZYJSHXTPKSHB-QJPTWQEYSA-N 306.366 -0.078 30 20 DBED C[C@@H]1CCCN(C(=O)C(N)=O)[C@H]1CN=c1cc[nH]c(C#N)n1 1063956385 IVCYJORBGGRDFN-ZJUUUORDSA-N 302.338 -0.706 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CN(C(=O)CN2CCCC2=O)CCO1 1064840325 KEESAPHIPDMHRV-NEPJUHHUSA-N 322.365 -0.888 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CN(C(=O)c2cccnn2)CCO1 1065514170 JCDRVIAHVOHYNH-QWRGUYRKSA-N 303.322 -0.407 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](CNC(=O)c3nc[nH]n3)C2)nc1 1067675372 APYLZFCZOVPFGI-GHMZBOCLSA-N 313.321 -0.702 30 20 DBED C=CCC(C)(C)C(=O)N1CCOC2(CN(C(=O)C(N)=O)C2)C1 1068398061 HQPIKQRCCHLKLI-UHFFFAOYSA-N 309.366 -0.486 30 20 DBED C[C@H](C#N)C(=O)N1CCOC2(CN(C(=O)CC(=O)N(C)C)C2)C1 1068452100 YWRYAENLUDQKSV-LLVKDONJSA-N 322.365 -0.936 30 20 DBED C[C@@H]1[C@@H](N=c2cc[nH]c(C#N)n2)CCN1C(=O)c1nccnc1N 1068799531 ZFQRHQAWJIIXQC-ZJUUUORDSA-N 324.348 -0.143 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@@]23COC[C@@H]2C3)C[C@H]1c1cn(C)cn1 1070495027 XCFUDUOJEGCGIC-LBEHMCEESA-N 314.389 -0.026 30 20 DBED N#CCN1C[C@H]2C[C@@H]3CN(C(=O)Cn4nccn4)C[C@@]3(C1)O2 1070806829 VTASLCGKRCZZHD-YRGRVCCFSA-N 302.338 -0.897 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)C(=O)C(C)(C)C)CC1 1070948724 XRBFULVPADPKTM-UHFFFAOYSA-N 307.394 -0.115 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H](C)[C@H](NC(=O)C(C)(F)F)C1 1071921941 MVRGQTWYWAJNHR-VHSXEESVSA-N 315.320 -0.256 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@@H]1C 1072301220 ZPGXQUBCBMATCG-WDEREUQCSA-N 311.382 -0.336 30 20 DBED C=CCCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)Cn2cnnn2)C1 1072629448 IRVMLKYRIGOWQK-NEPJUHHUSA-N 306.370 -0.008 30 20 DBED C#CCCN1CCCO[C@@H](CNC(=O)C2CN(C(C)=O)C2)C1 1073582190 FPTGKKOBLRHJEP-HNNXBMFYSA-N 307.394 -0.305 30 20 DBED Cn1cc(C(N)=O)cc1C(=O)NC[C@@H]1CN(CC#N)CCCO1 1073681395 MSDHUZPUYRYUFQ-GFCCVEGCSA-N 319.365 -0.532 30 20 DBED C=C(C)CN1CCO[C@@H]2CCN(C(=O)Cn3cnnn3)C[C@@H]21 1074159251 BPHNIQACNNPTME-QWHCGFSZSA-N 306.370 -0.449 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)c3cc4n(n3)CCO4)C[C@H]21 1074266233 HBEYSQOBBHRPKR-KGLIPLIRSA-N 316.361 -0.176 30 20 DBED C=CCN1CCO[C@H]2CCN(C(=O)CCn3cnnn3)C[C@@H]21 1074365804 KDKMITKBKJIDPU-STQMWFEESA-N 306.370 -0.449 30 20 DBED C=CCOCC(=O)N1CCC(O)(CNC(=O)c2cnon2)CC1 1074516060 XDRNBZFSWJFWJL-UHFFFAOYSA-N 324.337 -0.645 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CCN(C(=O)Cc2cc[nH]n2)CC1 1074527933 QVFAMTGTAGSWCT-NSHDSACASA-N 319.365 -0.418 30 20 DBED C[C@H](C#N)C(=O)N1CCC(O)(CNC(=O)c2cnns2)CC1 1074704763 HUDMFLYYZACEND-SECBINFHSA-N 323.378 -0.219 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)C1 1077046192 GMMLDNQTBIKNNQ-MGPQQGTHSA-N 320.393 -0.680 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCCS2(=O)=O)C1 1077451831 VBYPSXITENBCPN-YNEHKIRRSA-N 316.423 -0.309 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2nc3nc(C)cc(C)n3n2)C1 1078123492 VHGYLOIJCYLYLP-VXGBXAGGSA-N 314.349 -0.851 30 20 DBED CCCS(=O)(=O)CC(=O)N[C@@H](C)CCNC(=O)[C@H](C)C#N 1078133431 KHAUGAOUUFKFRK-MNOVXSKESA-N 317.411 -0.018 30 20 DBED N#CCN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)CN1CCC(=O)NC1=O)C2 1079081154 BBDAILCFBIAKFA-IJLUTSLNSA-N 319.365 -0.579 30 20 DBED C#CCOCCC(=O)N1CC(N(CC)C(=O)Cn2cncn2)C1 1080585175 IHPALSSGYCSXDK-UHFFFAOYSA-N 319.365 -0.623 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(C(=O)c2cocn2)C[C@H]1O 1081488257 GDIUECLLFZDVJI-DGCLKSJQSA-N 321.333 -0.736 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2ccn(C)n2)C1 1081497071 RZWDYKYCSJACGC-YPMHNXCESA-N 306.366 -0.065 30 20 DBED CC[C@H](C(N)=O)N1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@H](OC)C1 1081540778 RKECIENWLMDHKY-JHJVBQTASA-N 319.365 -0.421 30 20 DBED C=CCOCC(=O)NC[C@@H]1CCCCN1C(=O)CNC(N)=O 1081867849 JYOYVFGRTZPIDX-NSHDSACASA-N 312.370 -0.645 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)Cc1c(C)nn(C)c1C 1082000210 XRZPMLXQORVUDD-ZIAGYGMSSA-N 305.382 -0.082 30 20 DBED CC#CCN1C[C@@H](NC(=O)c2cc(C(N)=O)ccn2)[C@H](OC)C1 1082402316 GQASJNHRYVJWRP-ZIAGYGMSSA-N 316.361 -0.367 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1ccc2nnnn2c1 1083142000 NDKCDKNFYLYYGX-NWDGAFQWSA-N 313.321 -0.827 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CN(Cc3ncccn3)C[C@@H]2O)[nH]1 1083414016 HYAPNZQNJCGTGW-OLZOCXBDSA-N 312.333 -0.349 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2csc(-c3nc[nH]n3)n2)C1 1083856818 QBCMBFKRBBTYBL-APPZFPTMSA-N 319.350 -0.773 30 20 DBED C=CCN1CC[C@@H](N2CC[C@@H]3CN(C(=O)CC(N)=O)[C@@H]3C2)C1=O 1084244171 FINWKWLDANXLHN-JHJVBQTASA-N 320.393 -0.819 30 20 DBED C=C(C)CN1CC[C@@H]2CN(C(=O)CN3CCNC(=O)C3)[C@@H]2C1 1084573052 DRWCWBDIGWGJIN-ZIAGYGMSSA-N 306.410 -0.473 30 20 DBED Cc1cc(=NCC2(CCNC(=O)C(N)=O)CC2)c(C#N)c[nH]1 1089984697 CCZRIWMAZWIICL-UHFFFAOYSA-N 301.350 -0.133 30 20 DBED C=CCN1CC[C@@H](NC(=O)Cc2nnn(C(C)(C)C)n2)[C@H](O)C1 1090291796 JPYMTUMBXWQSGQ-VXGBXAGGSA-N 322.413 -0.292 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2cn(CC3CC3)nn2)[C@@H](O)C1 1090684223 WHMIWRUZIMVGTD-ZFWWWQNUSA-N 317.393 -0.124 30 20 DBED C#CCN1CC[C@H](NC(=O)c2nccn3cc(C)nc23)[C@H](O)C1 1090708797 YIQVOMCVGMBPMB-QWHCGFSZSA-N 313.361 -0.164 30 20 DBED C#CCOc1ncccc1C(=O)N[C@H]1CCN(CC#C)C[C@H]1O 1090736236 HDCGDFLGWHXSTO-LSDHHAIUSA-N 313.357 -0.108 30 20 DBED Cc1cc(N2C[C@H](O)[C@H](NC(=O)[C@H](C)C#N)C2)nc(CO)n1 1091082484 GBPGCXUHNRAKAQ-IEBDPFPHSA-N 305.338 -0.897 30 20 DBED C=CCCN1C[C@@H]2CN(C(=O)Cn3ncn(C)c3=O)C[C@]2(C)C1 1091804119 UUYXZBAOGXBWAX-CJNGLKHVSA-N 319.409 -0.062 30 20 DBED N#Cc1cncc(NC2CC(CNC(=O)Cn3cnnn3)C2)n1 1092186658 XCIIDIFCSFBCBB-UHFFFAOYSA-N 313.325 -0.658 30 20 DBED COC(=O)NCC(=O)NCC1CC(N=c2cc[nH]c(C#N)n2)C1 1092188657 RPCHJPOLUXNLCD-UHFFFAOYSA-N 318.337 -0.567 30 20 DBED N#Cc1nc(=NC2CC(CNC(=O)CCNC(N)=O)C2)cc[nH]1 1092218892 QHTDPGXDFCRSEN-UHFFFAOYSA-N 317.353 -0.865 30 20 DBED C[C@H](CC(N)=O)C(=O)NC1[C@@H]2CN(c3ccc(C#N)nn3)C[C@@H]12 1093329963 ANBTXHPWZOMKIG-FBIMIBRVSA-N 314.349 -0.589 30 20 DBED CN(C)C(=O)CC(=O)N[C@H]1[C@@H]2CN(c3ccc(C#N)cn3)C[C@@H]21 1093358042 NIDWWSNXIGIAOW-ATCWAGBWSA-N 313.361 -0.018 30 20 DBED N#Cc1ccc(NCCCNC(=O)[C@@H]2CCS(=O)(=O)C2)nn1 1094662043 VAHXKUMQLGRKIO-SNVBAGLBSA-N 323.378 -0.299 30 20 DBED CC#CCN1CC(N2C[C@@H](NC(=O)[C@@H]3CCCO3)CC2=O)C1 1094702023 UIPMWEBBFPQRDE-JSGCOSHPSA-N 305.378 -0.410 30 20 DBED N#Cc1nc(=NCCCNC(=O)[C@H]2CCC(=O)NC2)cc[nH]1 1094884024 MRGRPXHFAVEPJG-JTQLQIEISA-N 302.338 -0.785 30 20 DBED CC[C@@H](NC(C)=O)C(=O)N1CC[C@@H](N=c2cc[nH]c(C#N)n2)C1 1095084613 XCJFUBWFMPWCHT-VXGBXAGGSA-N 316.365 -0.302 30 20 DBED CCNC(=O)CC(=O)N1CCCN(c2nccnc2C#N)CC1 1095177419 RHUKAHHXMANQJD-UHFFFAOYSA-N 316.365 -0.087 30 20 DBED CN1C(=O)CN(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC#N)C1=O 1096335507 UYFGJTLVYRJFAN-VWYCJHECSA-N 305.338 -0.875 30 20 DBED CCC(=O)NCC(=O)N1CC[C@H](Nc2nccnc2C#N)C1 1096927911 XWTUMBDRZGETCH-JTQLQIEISA-N 302.338 -0.113 30 20 DBED CC(C)(C(N)=O)C(=O)N[C@H]1C[C@@H](Nc2cncc(C#N)n2)C1 1097227664 LPLQYZHZJCLNGO-DTORHVGOSA-N 302.338 -0.081 30 20 DBED C[C@H](CNC(=O)CCn1cnnn1)N=c1cc[nH]cc1C#N 1098011709 YXJRGHKHQVCIMW-SNVBAGLBSA-N 300.326 -0.631 30 20 DBED C[C@H](CNC(=O)Cn1ncnn1)Nc1ncc(C#N)cc1F 1098084535 NLCZOFWMWVWOGY-MRVPVSSYSA-N 304.289 -0.304 30 20 DBED C=CCN[C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1C(F)(F)F 1099210028 TZRNYXCZGAQAMJ-RKDXNWHRSA-N 304.276 -0.162 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(Cc2ncnn2C)C[C@@H]1O 1099741422 SWWHZJHWPPVVSK-NEPJUHHUSA-N 309.370 -0.931 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)CN(C)C(=O)COC)[C@@H](O)C1 1099863633 NIJONWSPFISIHG-OLZOCXBDSA-N 313.398 -0.781 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2nocc2C)[C@@H](O)C1 1100062516 VFOQQNNRYDPRNH-STQMWFEESA-N 307.350 -0.202 30 20 DBED CN(CCNC(=O)c1cn(C)c(=O)n1C)c1cncc(C#N)n1 1100153387 KPEBBWIYSUGZHP-UHFFFAOYSA-N 315.337 -0.748 30 20 DBED CCn1ccnc1C(=O)NCC1CC(NCC(=O)NCC#N)C1 1100288631 HPXRIKNXYRSSNP-UHFFFAOYSA-N 318.381 -0.359 30 20 DBED C#CCOCCC(=O)NCC1CC(N[C@@H]2CCCNC2=O)C1 1100326441 YNDMQEBYAGVQQT-JXQTWKCFSA-N 307.394 -0.211 30 20 DBED CCN(CCNC(=O)c1ncn(C)n1)c1cnc(C#N)cn1 1100512420 ZYSBSRFCPBOQHW-UHFFFAOYSA-N 300.326 -0.267 30 20 DBED CC(=O)N[C@H](C)C(=O)NC[C@H]1CCN(c2ccc(C#N)nn2)C1 1100921670 KZMUDQGRSJBGDY-ZYHUDNBSSA-N 316.365 -0.185 30 20 DBED CC(C)(C(N)=O)C(=O)N[C@H]1CC2(CN(CC#N)C2)n2ccnc21 1101632754 PURFCDZFBCAZBG-JTQLQIEISA-N 316.365 -0.510 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H]1CN([C@@H](CC)C(N)=O)C[C@H]1C 1101900085 HTXDQPVWQXOQQQ-UPJWGTAASA-N 322.409 -0.926 30 20 DBED C[C@H](CNC(=O)[C@H]1CNC(=O)N1)CNc1ncc(C#N)cc1F 1104183237 CQFYMUPKQNUNCV-GZMMTYOYSA-N 320.328 -0.062 30 20 DBED C[C@@H](CN=c1cc[nH]cc1C#N)CNC(=O)[C@@H](C)S(C)(=O)=O 1104255495 AHYGSQGGVSRIDE-WDEREUQCSA-N 324.406 -0.028 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)[C@H]1CCCC(=O)N1 1104720073 FJKCYFKMXPOSPF-GHMZBOCLSA-N 316.365 -0.302 30 20 DBED C[C@@H](CNc1ccc(C#N)nn1)N(C)C(=O)c1nnn(C)n1 1104763411 GLOQPMSSBGNLTM-QMMMGPOBSA-N 301.314 -0.556 30 20 DBED CN(CCN(C)c1cncc(C#N)n1)C(=O)[C@@H]1CC[C@H]1C(N)=O 1105521555 NQKQRAGQKHQKOI-VXGBXAGGSA-N 316.365 -0.246 30 20 DBED N#Cc1cnc(NC[C@@H](O)CNC(=O)C[C@@H]2CCCO2)cn1 1105717879 DBSBLUIDMBGRTG-NEPJUHHUSA-N 305.338 -0.194 30 20 DBED CCN(CC)CC(=O)NC[C@@H](O)CNc1nccnc1C#N 1105869508 VCPCZASXBMHHRH-LLVKDONJSA-N 306.370 -0.421 30 20 DBED C=CCO[C@@H](C)C(=O)NC[C@@H](O)CNc1cnc(C#N)cn1 1105892314 VJPAZXNVERRXOA-JQWIXIFHSA-N 305.338 -0.172 30 20 DBED C[C@@H](C(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1)C(F)(F)F 1106048087 ZMIQFIVVVDSWPJ-YUMQZZPRSA-N 317.271 -0.142 30 20 DBED C[C@H](CCNc1cnc(C#N)cn1)NC(=O)CS(C)(=O)=O 1106238999 JCOVEZIEXRNPNG-SECBINFHSA-N 311.367 -0.300 30 20 DBED C[C@@H]1CN(C(=O)c2cccnn2)C[C@H]1CNCC(=O)NCC#N 1106790693 LPSDERPKAPZNAY-VXGBXAGGSA-N 316.365 -0.586 30 20 DBED C=C(C)CNC[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)N2)C[C@H]1C 1106991588 HTXKOOKAGWGUED-JHJVBQTASA-N 315.439 -0.062 30 20 DBED C#CCNC(=O)CN1CCO[C@](C)(CNC(=O)c2ccon2)C1 1107773709 QEWURSNDQJYCKL-OAHLLOKOSA-N 320.349 -0.755 30 20 DBED Cc1nc(CN2CCO[C@@](C)(CNC(=O)[C@@H](C)C#N)C2)n[nH]1 1107821927 XYAPFKKRTUSQEV-HZMBPMFUSA-N 306.370 -0.020 30 20 DBED CC(=O)N1CC[C@@H](C(=O)N[C@H](C)CN=c2cc[nH]c(C#N)n2)C1 1107870487 BRJSVYGPYYHVBG-ZYHUDNBSSA-N 316.365 -0.445 30 20 DBED CN1CC[C@@H](N2CCO[C@@](C)(CNC(=O)C#CC3CC3)C2)C1=O 1107932430 KMSYZEDGPHXPON-PBHICJAKSA-N 319.405 -0.162 30 20 DBED C[C@@H](CN=c1cc[nH]cc1C#N)NC(=O)CCn1cnnn1 1108484083 MQROURVFSVCTFS-JTQLQIEISA-N 300.326 -0.631 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CC(=O)N(C2CN(CCOC)C2)C1 1108546623 ZTCYSDRISJVQQT-CHWSQXEVSA-N 323.393 -0.928 30 20 DBED CN(C)C1(C(=O)N[C@@H]2CC(=O)N(C3CN(CC#N)C3)C2)CCC1 1108551971 GZACYHDVMKXWDT-GFCCVEGCSA-N 319.409 -0.604 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)[C@H]1CCS(=O)(=O)C1 1108603982 ALODGLYCSNBCFY-UWVGGRQHSA-N 323.378 -0.879 30 20 DBED C=CCCN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN1CCNC(=O)C1)C2 1108739271 WRCXAZDDDVNWSG-ZNMIVQPWSA-N 320.437 -0.037 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)CN(C)c1cnc(C#N)cn1 1108945850 YCOPGVLUHVHMMY-LLVKDONJSA-N 314.349 -0.571 30 20 DBED C[C@H](CN(C)c1cncc(C#N)n1)NC(=O)C[C@@H]1CCNC1=O 1109114878 PQFPKBWYBNNMGK-MNOVXSKESA-N 316.365 -0.185 30 20 DBED Cn1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCC#N)c1 1109147067 OJPSPMHESHAWMY-RDBSUJKOSA-N 315.377 0.000 30 20 DBED N#Cc1cncc(NC2(CNC(=O)C[C@H]3CCNC3=O)CC2)n1 1110250598 OUPSDSREBGUPCF-SNVBAGLBSA-N 314.349 -0.065 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)N1CCOCC1 1110394928 QODAQXDXDOZIFN-SYQHCUMBSA-N 320.393 -0.274 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H](CCC)S(N)(=O)=O 1110856984 XDXCIWRKEYADCE-NDBYEHHHSA-N 313.423 -0.202 30 20 DBED COC[C@@H](C)C(=O)NC[C@]1(O)CCN(c2ccc(C#N)nn2)C1 1111043487 GLLGPKNNQFYWSV-IAQYHMDHSA-N 319.365 -0.312 30 20 DBED Cc1cc(N2CC[C@](O)(CNC(=O)CC(N)=O)C2)c(C#N)cn1 1111053832 MYLWRFUKSGWWAR-HNNXBMFYSA-N 317.349 -0.806 30 20 DBED C#CCNC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cnon1 1111170449 OJXPUFCCZNTKNZ-WGBDABJCSA-N 317.349 -0.457 30 20 DBED N#Cc1cncc(NCCN(CCO)C(=O)c2cnccn2)n1 1111411474 JOZPDRJSDHONCB-UHFFFAOYSA-N 313.321 -0.315 30 20 DBED COC(=O)NCC(=O)N1C[C@H](C)[C@@H](N=c2cc[nH]cc2C#N)C1 1112298703 ZUQISTQJQNUSGB-GWCFXTLKSA-N 317.349 -0.010 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@H]3CCCOC3)[C@H]2C1 1114001631 GBJKMTFXOPYULV-RMRHIDDWSA-N 305.378 -0.791 30 20 DBED C=CCCC(=O)N[C@H]1[C@@H]2CN(CCN(C)S(C)(=O)=O)C[C@@H]21 1114019909 CKGUVXXSHSQLMS-IMRBUKKESA-N 315.439 -0.110 30 20 DBED C#CCOCCC(=O)N[C@H]1[C@@H]2CN([C@@H]3CCCN(C)C3=O)C[C@@H]21 1114268932 SUKNSGKNVAIDCF-CTASWTNQSA-N 319.405 -0.307 30 20 DBED N#Cc1nccnc1NC[C@H]1C[C@H](NC(=O)CNC(N)=O)C1 1114735698 ASVZEHRSWDCYIE-KYZUINATSA-N 303.326 -0.677 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)[C@@H](C(C)C)N(C)C)[C@H]2C1 1114799209 SVEAEZFEIXRMSP-HEHGZKQESA-N 322.453 -0.079 30 20 DBED CN1CC[C@H](NC(=O)C(=O)Nc2ccc(OCC#N)cc2)C1=O 1116655242 NCTABWJFJMIBEZ-LBPRGKRZSA-N 316.317 -0.126 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1C[C@@H](C)[C@H](C)C1 1117633628 FRYYXAININBHAH-GHMZBOCLSA-N 302.396 -0.182 30 20 DBED C[C@H](C(=O)NC[C@@H](CO)Nc1nccnc1C#N)n1cncn1 1121345946 JFDIVOCSHXCAGQ-ZJUUUORDSA-N 316.325 -0.910 30 20 DBED C#CCCCCC(=O)NC[C@@H](CO)Nc1ccc2nnnn2n1 1121353103 MCYUAYZGXMQZGK-NSHDSACASA-N 317.353 -0.398 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@H](CO)Nc1cnc(C#N)cn1 1121404225 DTGXZKLMPCVKNF-SMDDNHRTSA-N 305.338 -0.436 30 20 DBED C=CCO[C@@H](C)C(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1 1121748527 BZEKERFSSJPXPL-QWRGUYRKSA-N 305.338 -0.750 30 20 DBED C[C@@]1(C(=O)NC[C@H](CO)Nc2ncccc2C#N)CCC(=O)N1 1122487197 GJYHIOYDZMHXEP-ABAIWWIYSA-N 317.349 -0.489 30 20 DBED CN(C)CC1(C(=O)NC[C@H](CO)Nc2nccnc2C#N)CC1 1122508807 RXSJCKOHHCXRID-LLVKDONJSA-N 318.381 -0.421 30 20 DBED C[C@@H]1[C@H](C(=O)NC[C@@H](CO)Nc2cnc(C#N)cn2)CCN1C 1122753542 ZHJSATXKMIREFC-KGYLQXTDSA-N 318.381 -0.423 30 20 DBED CC(=O)N[C@@H](C)C(=O)N(C)C[C@@H](O)CNc1ccc(C#N)nc1 1124060122 RXNYQQDKWDKAEM-HZMBPMFUSA-N 319.365 -0.291 30 20 DBED C[C@H](C#N)C(=O)N(C)C[C@@H](O)CNc1nc[nH]c2ncnc1-2 1124190974 JGDKNWPYZCYKLB-BDAKNGLRSA-N 303.326 -0.305 30 20 DBED CN(C)C(=O)CC(=O)N(C)C[C@H](O)CNc1ccc(C#N)cn1 1124798660 SJWSMQUYANNTSO-GFCCVEGCSA-N 319.365 -0.337 30 20 DBED CN(C[C@@H](O)CN(C)c1cccc(F)c1C#N)C(=O)CC(N)=O 1125023743 GUEKLKVOKSUSMX-JTQLQIEISA-N 322.340 -0.172 30 20 DBED C#CCN1CCn2ncc(CNC(=O)[C@H](C)NC(=O)CC)c2C1 1128363197 SEXMLFMPZCNUMU-LBPRGKRZSA-N 317.393 -0.137 30 20 DBED C#CCC1(C(=O)NCCNCC(=O)NCC#N)CCOCC1 1129117093 QTWLDTBHYZFXJK-UHFFFAOYSA-N 306.366 -0.848 30 20 DBED C#CCN1CCOC[C@@H]1c1n[nH]c(CNC(=O)CCN(C)C)n1 1130857059 ROEOYYXNXHBMJN-GFCCVEGCSA-N 320.397 -0.621 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)CNC(=O)CC)CC1 1131339932 XBHCJNUUHKQUAN-UHFFFAOYSA-N 310.398 -0.651 30 20 DBED C#CCNC(=O)CN1C[C@H](NC(=O)c2ncn(C)n2)CC[C@H]1C 1132003446 VMGANUYZHISLIE-VXGBXAGGSA-N 318.381 -0.853 30 20 DBED C#CCCN1C[C@@H](NC(=O)CCNS(C)(=O)=O)CC[C@H]1C 1132078613 NGTLTZOMXJALGK-OLZOCXBDSA-N 315.439 -0.082 30 20 DBED C=CCNC(=O)CN1C[C@H](NC(=O)c2cnn(C)n2)CC[C@@H]1C 1132342514 BADXPWWMQYJPFU-NWDGAFQWSA-N 320.397 -0.300 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)C[C@H](C)NCc1n[nH]c(C)n1 1134131020 PLAFEUIGNIWFHJ-QWRGUYRKSA-N 320.397 -0.374 30 20 DBED CC#CCN[C@@H](C)C[C@@H](C)NC(=O)Cn1cnc(C(N)=O)n1 1134398857 IEYNTTSWCOZZHX-WDEREUQCSA-N 306.370 -0.727 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@H](C)N1CCCCCC1 1134757347 OHHJQVACLBVPLH-AWEZNQCLSA-N 308.426 -0.294 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)CCCC(N)=O 1146753793 BDFIYEYZHKBHHX-NEPJUHHUSA-N 310.398 -0.736 30 20 DBED C=CCC[C@H](C)NCCNC(=O)[C@@H](C)NC(=O)Cn1cnnn1 1147364541 ZKRNBTTUFALKEB-NWDGAFQWSA-N 323.401 -0.762 30 20 DBED CCNC(=O)CN1CCCO[C@H](CNC(=O)C#CC2CC2)C1 1149694659 RDMJRBBBYXRBAC-CQSZACIVSA-N 307.394 -0.257 30 20 DBED COCC#CCN1CCCO[C@@H](CNC(=O)c2[nH]nnc2C)C1 1150061931 GZDFZAIMVLYZDI-ZDUSSCGKSA-N 321.381 -0.416 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)NCCNCC#CCOC 1152399153 PZZUKEJVEUBSOU-UHFFFAOYSA-N 310.398 -0.394 30 20 DBED C=CCO[C@@H](C)C(=O)NCCNCC(=O)NC1CCOCC1 1153097538 NXEHDZVFNFABPI-LBPRGKRZSA-N 313.398 -0.422 30 20 DBED Cc1cc(C)n([C@H](C)C(=O)NCCNCC(=O)NCC#N)n1 1153291600 HJYLGZWFVBPRMC-GFCCVEGCSA-N 306.370 -0.593 30 20 DBED COC[C@@H](C)OC[C@@H](O)CNCCCNC(=O)C#CC1CC1 1157682409 FTXZQUWHGYEMIM-HIFRSBDPSA-N 312.410 -0.092 30 20 DBED C#CCNC(=O)CNCCCNC(=O)COCc1cc(C)no1 1160725071 WTMQJZLSELCEFZ-UHFFFAOYSA-N 322.365 -0.655 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)c1cn(C)ccc1=O 1162281324 NGVVQQMOGOSZQG-GFCCVEGCSA-N 318.377 -0.767 30 20 DBED C#CCN1CCC(CNC(=O)[C@@H]2CC[C@@H]2C(N)=O)(COC)CC1 1162401725 UOZYQISRXDGINE-UONOGXRCSA-N 321.421 -0.024 30 20 DBED C#CCNC(=O)CNCCCNC(=O)Cn1ccc(C)cc1=O 1167454516 BRUBATDXVLVSQL-UHFFFAOYSA-N 318.377 -0.998 30 20 DBED C[C@@H](CCCCNCC(=O)NCC#N)NC(=O)[C@@H]1CCCN1C 1169798432 PBNFMJDFJWKCMO-KBPBESRZSA-N 323.441 -0.015 30 20 DBED C#CCOCCC(=O)N1CC[C@H](NCCS(C)(=O)=O)[C@@H]1C 1178681925 UPIUVPRLKLZUSN-STQMWFEESA-N 316.423 -0.350 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](C)[C@](C)(CNCCCO)C1 1181173998 SANIREBUWKQCEU-CZUORRHYSA-N 309.410 -0.418 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)CC2(O)CCC2)C1 1182397163 BFVMKQRWHLAXKP-QWHCGFSZSA-N 307.394 -0.380 30 20 DBED C#CCNC(=O)CNC[C@]1(C)CN(C(=O)c2nc[nH]n2)C[C@H]1C 1182924595 JPUFRPSQTICERW-IAQYHMDHSA-N 318.381 -0.758 30 20 DBED C[C@@H]1CN(C(=O)CS(=O)(=O)N(C)C)C[C@@]1(C)CNCC#N 1183297542 ISSFXGXBUYQRPX-DGCLKSJQSA-N 316.427 -0.524 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)Cc2cccnc2C)C1 1185643499 WHUHCDCBDFEQTQ-OAHLLOKOSA-N 314.389 -0.128 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)[C@@H]2C1 1187304509 IQKDPBRMVKYHEG-SOUVJXGZSA-N 318.421 -0.637 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)CCn2cc(C)cn2)C1 1188106753 VKPWZZPIDKTGCP-CQSZACIVSA-N 317.393 -0.478 30 20 DBED C=CCN1CC[C@@H](N2C[C@@H](O)[C@H](NC(=O)CC(C)C)C2)C1=O 1190795193 OMSAHKNLWLIGJW-MGPQQGTHSA-N 309.410 -0.019 30 20 DBED COCC#CCN(C)[C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2C)C1 1191930215 DFQOJTUJPJRUOV-ZIAGYGMSSA-N 307.394 -0.210 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@@H]1CCN(C(=O)c2ccnnc2)C1 1192523005 NXHJBOWMDAAMJR-TZMCWYRMSA-N 315.377 -0.239 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2c(C)coc2C)C1 1192590497 IIGRBSDQJZVRLU-CHWSQXEVSA-N 321.377 -0.026 30 20 DBED C=CC(C)(C)CC(=O)N[C@@H]1CN(CCN2CCNC2=O)C[C@H]1O 1193337715 ZYDGYEBNLAMRBE-CHWSQXEVSA-N 324.425 -0.225 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)CN2CCCC2)C1 1194026116 BBHPIERUZYCETK-AWEZNQCLSA-N 306.410 -0.636 30 20 DBED N#CCNC(=O)CN1CCCN(C(=O)COCC2CC2)CC1 1194984127 VPJQPQBKWZNQHQ-UHFFFAOYSA-N 308.382 -0.413 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H](OC)C2CCC2)C1 1195072579 HOKYNSZAYNFQFC-KFWWJZLASA-N 310.394 -0.387 30 20 DBED C=CCOCC(=O)N1CCCN(CCNS(C)(=O)=O)CC1 1195284126 PRBLSARUPQGPHA-UHFFFAOYSA-N 319.427 -0.728 30 20 DBED CCOCC1(C(=O)N2CCCN(CC(=O)NCC#N)CC2)CC1 1196325530 SWAWBZLOVQNOPW-UHFFFAOYSA-N 322.409 -0.023 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2ncnn2C)C[C@H]1O 1199315486 YZLWPZZPHUYSNZ-QJPTWQEYSA-N 309.370 -0.933 30 20 DBED C#CCNC(=O)CC(=O)N1CCC(NCc2cnn(C)n2)CC1 1200171394 ZEWIFZFXKVJCKL-UHFFFAOYSA-N 318.381 -0.965 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCCO[C@H](CNCCCO)C1 1200379767 QKYIIBDLYUCXNQ-UKRRQHHQSA-N 300.399 -0.097 30 20 DBED C#CCNC[C@H]1CN(C(=O)CNC(=O)N2CCCC2)CCCO1 1200499876 CWPCGYFXHICKJP-AWEZNQCLSA-N 322.409 -0.368 30 20 DBED COCC#CCNCC1CCN(C(=O)CC(=O)N(C)C)CC1 1206527450 GKJYJEAOIIDNPL-UHFFFAOYSA-N 309.410 -0.057 30 20 DBED C#CCCN1C[C@@H](NC(=O)CNS(=O)(=O)CC)[C@H](C)C1 1207284783 ZSQGZKPEBSQQCC-VXGBXAGGSA-N 301.412 -0.615 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)c1ccsn1 1207671676 JEIXTKWYXJTUGP-MWLCHTKSSA-N 307.379 -0.167 30 20 DBED COCC#CCN[C@H]1CCCN(C(=O)[C@@]2(C)CNC(=O)C2)C1 1208688932 YAZACPASVSNWLR-XJKSGUPXSA-N 307.394 -0.257 30 20 DBED CC#CCN[C@H]1CCCN(C(=O)[C@@H]2COCCN2C(C)=O)C1 1211162202 ZKPPDWWPFVUPIE-GJZGRUSLSA-N 307.394 -0.162 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(CC(=O)NCC=C)C[C@H]1OC 1212255372 JZPGNZPMODBWGL-MGPQQGTHSA-N 323.393 -0.858 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)c2cccnn2)C[C@H]1C 1216025774 KLGRXADZFXLJOX-DGCLKSJQSA-N 301.350 -0.724 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)CN2CCCC2)C[C@H]1C 1216754403 SQFQIVYUMCQQJG-ZIAGYGMSSA-N 308.426 -0.179 30 20 DBED COCC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cnccn1 1217206695 NXNRMAKIHVGCQY-LSDHHAIUSA-N 316.361 -0.348 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)COc2c(C)occc2=O)C1 1219983949 KPILDYZAJJPHPW-OCCSQVGLSA-N 320.345 -0.488 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H](C)C(F)(F)F)C1 1220164483 KFCRUPBUTLDMSX-BBBLOLIVSA-N 323.315 -0.352 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)c2c(C)nn(C)c2F)C1 1220867812 GMJINUXLSPRQBT-NEPJUHHUSA-N 324.356 -0.708 30 20 DBED C=CCCN1CC[C@@H]2CN(C(=O)CN(C)S(C)(=O)=O)[C@@H]2C1 1221591255 YKAQUDWRJMZHOA-CHWSQXEVSA-N 315.439 -0.013 30 20 DBED COCC#CCN1CCC(CNC(=O)[C@H]2CCNC(=O)C2)CC1 1222777783 DSGRPLVPZBGMKU-HNNXBMFYSA-N 321.421 -0.009 30 20 DBED N#CCN1CCC(CNC(=O)CCCS(N)(=O)=O)CC1 1224272834 HZMXLRIFEUGXEW-UHFFFAOYSA-N 302.400 -0.593 30 20 DBED C#CCO[C@@H](C)C(=O)NC1CCN(Cc2ncnn2C)CC1 1227342813 YUSGLJFRQDHVPF-LBPRGKRZSA-N 305.382 -0.066 30 20 DBED N#CCNC(=O)CN1CCC(NC(=O)c2cnnc(O)c2)CC1 1227899998 MGNDMRBSEJZNGE-UHFFFAOYSA-N 318.337 -0.984 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCC(NC(=O)[C@@H]2CCNC2=O)CC1 1228589400 SSXZDPOARHHMLG-DGCLKSJQSA-N 322.409 -0.606 30 20 DBED C#CCCN[C@@H]1CCCC[C@H]1NC(=O)CN1CCC(=O)NC1=O 1229534036 OAIMCFGEUPXWTP-CHWSQXEVSA-N 320.393 -0.031 30 20 DBED Cc1noc(C)c1C(=O)NCCCN(C)CC(=O)NCC#N 1233812913 UFTPKTBERKBPFE-UHFFFAOYSA-N 307.354 -0.017 30 20 DBED C#CCSCCNC(=O)C(=O)N[C@@H]1CCOC[C@H]1OCC 1323277457 IPSNTUVPPOTSNX-VXGBXAGGSA-N 314.407 -0.221 30 20 DBED COC(=O)CC[C@]1(C)NC(=O)N(CC(=O)NCCC#N)C1=O 1325867248 UOLGDUMBDJLPSN-ZDUSSCGKSA-N 310.310 -0.720 30 20 DBED C=CCn1cc(CNC(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)nn1 1325897026 QQZWHQAIINHQLZ-QWRGUYRKSA-N 308.342 -0.704 30 20 DBED CNS(=O)(=O)[C@@H]1CCCN(C(=O)[C@@H](N)CCCC#N)C1 1327855860 GIYCHJSPYKNBJA-MNOVXSKESA-N 302.400 -0.452 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CC[C@@H](C)[C@H]1C 1329811400 CKEGSCBSWQEGOD-GHMZBOCLSA-N 302.396 -0.040 30 20 DBED C#C[C@@H](NC(=O)C(=O)NCCOCCOCC)[C@H]1CCCO1 1333512560 CLYODISRJQNRGM-CHWSQXEVSA-N 312.366 -0.547 30 20 DBED C=CCn1c([C@H](O)COC)nnc1N1CCN2C(=O)CC[C@H]2C1 1340790588 BELGMWZRCDSTPF-NWDGAFQWSA-N 321.381 -0.045 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N(C)Cc1nnc(C)o1 1349486736 PANSDPBBRURPKY-NSHDSACASA-N 308.338 -0.119 30 20 DBED CN(C[C@@H]1CCOC1)C(=O)CCn1cc(C#N)c(O)nc1=O 1362189890 RRKKLNULGLZCOT-JTQLQIEISA-N 306.322 -0.294 30 20 DBED N#Cc1cn(CCNC(=O)CC2OCCCO2)c(=O)nc1O 1363128887 OAEWBPNKCQFCCD-UHFFFAOYSA-N 308.294 -0.910 30 20 DBED N#Cc1ccc(S(=O)(=O)N[C@H]2CCc3nnnn3CC2)cn1 1364868567 XSPHEUXSOQHVNN-VIFPVBQESA-N 319.350 -0.377 30 20 DBED N#CCC1(CS(=O)(=O)NCCS(=O)(=O)NC2CC2)CC1 1365634625 MPIIEEWMDWBPEB-UHFFFAOYSA-N 321.424 -0.319 30 20 DBED CN(C)C1(CNC(=O)NCCn2cc(C#N)c(O)nc2=O)CC1 1371403591 WKWIXPNDIKLZAQ-UHFFFAOYSA-N 320.353 -0.786 30 20 DBED CC[C@@H](C(=O)NCCN1CCN(C(=O)[C@H](C)C#N)CC1)N(C)C 1396894907 NLOJHEUMKFZZMC-KGLIPLIRSA-N 323.441 -0.253 30 20 DBED C[C@@H](C#N)C(=O)NC1CN(C(=O)C[C@@H]2CCS(=O)(=O)C2)C1 1398692712 PKLOIHNKCMMGSZ-UWVGGRQHSA-N 313.379 -0.702 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CCCN1C(=O)c1cc(=O)n(C)cn1 1409607022 WYMXQWIFOIYALG-GHMZBOCLSA-N 317.349 -0.339 30 20 DBED C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)CCc1cnn[nH]1 1410489190 ZYGFOHODSKRKBF-VIFPVBQESA-N 315.337 -0.128 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(C)(CNC(=O)[C@H](C)NC(N)=O)CC1 1411085362 IWLLDPSVHBJNRX-QWRGUYRKSA-N 323.397 -0.052 30 20 DBED C[C@@H](C(=O)Nc1n[nH]cc1C(=O)N(C)C)n1cnc(C#N)n1 1412561958 DNYPCOSYWQQZNP-ZETCQYMHSA-N 302.298 -0.226 30 20 DBED C[C@H](C(=O)NCCN1C[C@@H]2CC[C@H](C1)O2)n1cnc(C#N)n1 1412974180 XSRFGAJGOAJCDU-UTUOFQBUSA-N 304.354 -0.310 30 20 DBED CCN(CCC#N)C(=O)CN[C@H](C)CNC(=O)c1ncccn1 1419885612 FTFIQMWGNBNMQE-GFCCVEGCSA-N 318.381 -0.053 30 20 DBED CCN(C(=O)Cn1cncn1)[C@@H]1CCN(C(=O)[C@@H](C)C#N)C1 1432565569 FEVJKGUYEXGMIS-NWDGAFQWSA-N 304.354 -0.113 30 20 DBED CC[C@H](C(N)=O)N1CCN(CCN(C)C(=O)[C@H](C)C#N)CC1 1443288671 KDOGESTUWSJNGF-CHWSQXEVSA-N 309.414 -0.514 30 20 DBED N#Cc1cn(CC(=O)Nc2cnn(CCF)c2)c(=O)nc1O 1453517158 LVUOYFYPUBCXEV-UHFFFAOYSA-N 306.257 -0.375 30 20 DBED N#CCc1ccnc(NC(=O)Cn2ncn3nccc3c2=O)c1 1457637455 YEWRPRWATAFAOF-UHFFFAOYSA-N 309.289 -0.009 30 20 DBED C[C@@H](C#N)C(=O)NC[C@]1(C)CCN(C(=O)Cc2nc[nH]n2)C1 1459544993 LSYRMVAVXJIJTQ-HZMBPMFUSA-N 304.354 -0.138 30 20 DBED Cn1c(=O)[nH]c(NCCC(=O)N2CCCCC2)c(C#N)c1=O 1472748817 GXBNJZDPIRRSIO-UHFFFAOYSA-N 305.338 -0.240 30 20 DBED C=CCN1CC[C@@H](N[C@H]2CCN(C(=O)CNC(C)=O)C2)C1=O 1480103927 QTQBCRWQKUWGFS-QWHCGFSZSA-N 308.382 -0.900 30 20 DBED C=C(Cl)CNC[C@H](O)CNC(=O)Cn1nnnc1C(C)C 1482777328 SMIPOQLPFBCZSN-JTQLQIEISA-N 316.793 -0.384 30 20 DBED CCCN(CCNC(=O)[C@H](C)C#N)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 1497331993 AYZYDHHNQXOJPL-GRYCIOLGSA-N 324.381 -0.466 30 20 DBED C[C@H](NC[C@@H](C)NC(=O)c1cc(C#N)c[nH]1)c1nnnn1C 1497802934 QGGULDGXWZPMCP-BDAKNGLRSA-N 302.342 -0.121 30 20 DBED CN1CCC[C@H]1C(=O)NC[C@H](O)CNC(=O)c1ccc(C#N)[nH]1 1501463169 MQOSZCHIFOMFQS-YPMHNXCESA-N 319.365 -0.813 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)CCC1CCOCC1 1533259253 OLPZFFOOJCGQLN-YPMHNXCESA-N 311.382 -0.054 30 20 DBED C=CCNC(=O)NC(=O)CN[C@@H](C)CCNC(=O)c1cnco1 1570463944 RCZCUFHCYTYEFE-JTQLQIEISA-N 323.353 -0.216 30 20 DBED C=CC[C@@H](CO)NC(=O)c1nc(O)c(-c2nn[nH]n2)cc1C 1573326447 PATNOGFHKOSQCC-QMMMGPOBSA-N 304.310 -0.057 30 20 DBED C=CCNC(=O)CNC1(C)CCN(C(=O)[C@H]2C[C@@H]2C(=O)O)CC1 1573367823 BIQMMXUBFABPOE-RYUDHWBXSA-N 323.393 -0.020 30 20 DBED N#C[C@]1(F)CCN(C(=O)C(=O)N2CCO[C@H](CC(=O)O)C2)C1 1601058069 KPOJYLJZMHIVQD-NOZJJQNGSA-N 313.285 -0.847 30 20 DBED C=C(CCC(=O)O)C(=O)N1CCS(=O)(=O)[C@H]2COCC[C@@H]21 1602778287 NDMWJHFZRIHXPN-QWRGUYRKSA-N 317.363 -0.178 30 20 DBED C=CCn1cc(C(=O)NS(=O)(=O)[C@H](C)[C@@H](C)C(=O)O)nn1 1602937799 HOPBKVOUJSOKSE-HTQZYQBOSA-N 316.339 -0.367 30 20 DBED C[C@H](CC#N)N(C)C(=O)C(=O)Nc1ccc(-c2nn[nH]n2)cn1 1609108424 NRZZQRREQSUAJT-MRVPVSSYSA-N 314.309 -0.039 30 20 DBED Cc1oc(CNC(=O)C(=O)N2CCO[C@@H](C#N)C2)cc1C(=O)O 1610583788 WMRCYGVURZTGCV-JTQLQIEISA-N 321.289 -0.347 30 20 DBED C#CCNC(=O)CNC[C@]1(C)CCN(C(=O)[C@@H](CC)N(C)C)C1 1671753271 OFCSHDGXNKNSRK-PBHICJAKSA-N 322.453 -0.096 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC(N(C)C(=O)[C@@H]2CCCCN2C)C1 1699716805 DFGSIIGBABHEHZ-HIFRSBDPSA-N 320.437 -0.249 30 20 DBED C#CCNC(=O)CNC[C@H](C)N(C)C(=O)[C@@H]1CCCCN1C 1732434622 LWRFCOZWWRPYNA-KBPBESRZSA-N 308.426 -0.343 30 20 DBED C#CCCN1CCN(CCNC(=O)[C@@]2(C)CCNC2=O)CC1 1752372554 GKNMSKCTMQSJCH-INIZCTEOSA-N 306.410 -0.730 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)N(C)CCNCC(=O)N(C)C 1753241600 BVDFTDGBYCRVEF-CYBMUJFWSA-N 312.414 -0.407 30 20 DBED C#CCNC(=O)[C@H](C)N1CC(NC(=O)c2ccn(C)c2C)C1 1753387150 QPUZTDPSCXFNGM-LBPRGKRZSA-N 302.378 -0.115 30 20 DBED C#CCO[C@H](C)C(=O)NCC1CN([C@H](C)C(=O)NCCC)C1 1753402656 AANSYRCPNQKOHS-CHWSQXEVSA-N 309.410 -0.013 30 20 DBED CNC(=O)[C@H](C)N1CCO[C@H](CNC(=O)CSCC#N)C1 1753646609 UNHDBUMFVCOYGT-WDEREUQCSA-N 314.411 -0.805 30 20 DBED C#CCNC(=O)CNC1(CNC(=O)[C@@H]2CCCN2C)CCCC1 1753661805 WKMMQIKYLIKTHV-AWEZNQCLSA-N 320.437 -0.151 30 20 DBED C#CCNC(=O)CN(C)CCN(C)C(=O)c1conc1COC 1753877544 VTDALOIKCLFAHJ-UHFFFAOYSA-N 322.365 -0.426 30 20 DBED N#CCNC(=O)CN1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1cc(Cl)no1 1754430590 QIVNIOKCBUROIS-RGNHYFCHSA-N 323.740 -0.230 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@@H](NC(=O)c1cccnn1)C1CC1 1754455229 ORIFCTAPKFYCSY-BXUZGUMPSA-N 315.377 -0.288 30 20 DBED C=CCCNC[C@@H](NC(=O)CN1C(=O)CN(C)C1=O)C1CC1 1754460309 PQLFXLMDRKEYDW-GFCCVEGCSA-N 308.382 -0.059 30 20 DBED COCC#CCNC[C@@H]1CCCN1C(=O)c1cnc(O)n1C 1754613993 GHQDQBXNZIXUHX-LBPRGKRZSA-N 306.366 -0.030 30 20 DBED C#CCNC[C@@H](NC(=O)CN(C)C(=O)COC)C1CCCC1 1754648664 CCSVKHHQXKQNSA-CQSZACIVSA-N 309.410 -0.011 30 20 DBED N#CCN1CCN(CCCCCNC(=O)[C@H]2CNC(=O)N2)CC1 1755175280 NSRSURBIWVGOGK-CYBMUJFWSA-N 322.413 -0.905 30 20 DBED C#CCNCC1CC(NC(=O)[C@@H]2CCc3nnnn3CC2)C1 1755218206 IPXOCPRZGDXPSN-OTTFEQOBSA-N 302.382 -0.257 30 20 DBED C=CCNC(=O)CN[C@@H](C)[C@H](C)NC(=O)c1ccnc(OC)n1 1755244666 SROMECMJRMGLSS-QWRGUYRKSA-N 321.381 -0.116 30 20 DBED C=CCN(C)C[C@@H](O)CN(C)C(=O)C[C@H]1CCCS1(=O)=O 1755803119 NNFRTWMOERMMAQ-CHWSQXEVSA-N 318.439 -0.109 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H]1C[C@H](NC(=O)CCNC(N)=O)C1 1756251329 WRIPVGJHSAKDCO-IJLUTSLNSA-N 324.381 -0.906 30 20 DBED C#CCO[C@@H](C)C(=O)NCCC[C@H](C)NC(=O)c1nnn(C)n1 1756334376 LTSSJMCZYQCWET-QWRGUYRKSA-N 322.369 -0.737 30 20 DBED CCc1cc(C(=O)NC[C@@H](CO)NC(=O)C#CC2CC2)no1 1756536805 DNUBGDSTCNXMPM-NSHDSACASA-N 305.334 -0.143 30 20 DBED N#CCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1C[C@H](O)CN1 1799919130 XRGZNMRHNSDWSD-NDKCEZKHSA-N 320.393 -0.349 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1nnc(C)o1)C2 1800451875 LNUMNBFEFSNFSU-QHBPRCKVSA-N 318.333 -0.857 30 20 DBED CC(C)NCCC(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846195279 XNRPQUKCVHJODC-UHFFFAOYSA-N 321.377 -0.334 30 20 DBED C#CCNS(=O)(=O)c1cccc(C(=O)N(C)CC(N)=O)c1 46979029 GIAYSDNZMKAHTR-UHFFFAOYSA-N 309.347 -0.845 30 20 DBED N#Cc1ccc(C(=O)N(CCO)CCN2CCOCC2)nc1 130398668 KGTABXOTGFXDJE-UHFFFAOYSA-N 304.350 -0.280 30 20 DBED CN(CCC#N)S(=O)(=O)NC[C@@H](O)CN1CCCCC1 158904810 RDMXSBDJZHCBKO-GFCCVEGCSA-N 304.416 -0.487 30 20 DBED C#C[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1c(C)nn(C)c1C 186004043 WEMYQPKJIZBQSP-SCZZXKLOSA-N 312.395 -0.158 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)Nc1cnn(CC(=O)NC)c1 273941320 KFGHRJRXQFNWCT-VIFPVBQESA-N 308.342 -0.559 30 20 DBED CC(C)CCN/C(N)=N/CCC(=O)N[C@H]1CCS(=O)(=O)C1 303888956 LTFSYGQBNSZOQP-NSHDSACASA-N 318.443 -0.370 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCN(CCO)CC1 330380621 UXUSROOCONEFBX-LBPRGKRZSA-N 304.416 -0.677 30 20 DBED CCO[C@H]1C[C@](O)(CNC(=O)Cn2cnc(C#N)n2)C1(C)C 331475060 KRFQBWJYOKZPQL-HZMBPMFUSA-N 307.354 -0.168 30 20 DBED C[C@H]1CN(S(=O)(=O)CC2(C#N)CC2)CCN1S(C)(=O)=O 331960628 LKVSVDWTERQNFU-JTQLQIEISA-N 321.424 -0.414 30 20 DBED N#Cc1ncn(CC(=O)N2CCNC(=O)[C@H]2Cc2ccccc2)n1 345389338 CEASHIVLPRFSAE-CYBMUJFWSA-N 324.344 -0.281 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@@H](CCOC)C(=O)OC 352585276 CEJCPTNZKNWQCQ-QWRGUYRKSA-N 321.399 -0.120 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)NC[C@@H]1CN(C2CC2)CCO1 353002538 VQTSKLLCJADXLD-WCQYABFASA-N 310.398 -0.161 30 20 DBED CC(C)[C@H](C#N)N1CCN(C(=O)CN(C)CCC(N)=O)CC1 353163709 DGMBOEFKDJOOQH-ZDUSSCGKSA-N 309.414 -0.514 30 20 DBED N#C[C@@H]1COCCN1C(=O)CNS(=O)(=O)c1ccccc1 354681408 UESPAKOGVJHKPK-LLVKDONJSA-N 309.347 -0.284 30 20 DBED C[C@H]1C[C@@H](N2CCOCC2)CN1C(=O)NCC(=O)NCC#N 358284560 YKXXJMCXXPBPBE-NWDGAFQWSA-N 309.370 -0.869 30 20 DBED COCC[C@H]1COCCN1S(=O)(=O)N1CCO[C@H](C#N)C1 360423834 ZDQIPLYQLGXGMS-NWDGAFQWSA-N 319.383 -0.807 30 20 DBED C=CCNC(=O)NC(=O)CN1CCN([C@@H]2CCC[C@@H]2O)CC1 369266196 ATDAPGPSSSPUAC-OLZOCXBDSA-N 310.398 -0.471 30 20 DBED CCN(C[C@H](C)C#N)C(=O)CN1CCN(CC(=O)OC)CC1 429680531 TZXQZWBNEUUVKE-CYBMUJFWSA-N 310.398 -0.215 30 20 DBED CN(CCn1cnc2c1c(=O)n(C)c(=O)n2C)CC(C)(C)C#N 433300413 FBHCPPLZPGYHBM-UHFFFAOYSA-N 318.381 -0.085 30 20 DBED COC(=O)NCCCC(=O)NS(=O)(=O)CC1(C#N)CC1 496369929 XWKWSYYTIOSKCS-UHFFFAOYSA-N 303.340 -0.128 30 20 DBED C=CCNC(=O)CNC(=O)N1CCS(=O)(=O)[C@@H](C)[C@H]1C 561850968 UJSBLLRYHBSJPP-ZJUUUORDSA-N 303.384 -0.494 30 20 DBED CN(CC(=O)N1CCOCC1)Cc1cnc2c(C#N)cnn2c1 573325184 ZWEQBPCLJZJURL-UHFFFAOYSA-N 314.349 -0.108 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N[C@H](C(=O)O)c1ccnn1C 576636777 JPBXTLWHIDYFKH-SCZZXKLOSA-N 315.355 -0.528 30 20 DBED CC[C@@H](C#N)C(=O)N[C@@H]1CC(=O)N(CCN(C)CCOC)C1 593898783 MAQVUODQSFNAQL-QWHCGFSZSA-N 310.398 -0.169 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N1C[C@@H]2COC[C@]2(C(=O)O)C1 595883805 FZWKUJFISZGCQO-GPCCPHFNSA-N 311.338 -0.580 30 20 DBED CN(CC(C)(C)C#N)C(=O)[C@H]1CCCN(S(N)(=O)=O)C1 597695781 ZBGBSUJWJAXRCL-JTQLQIEISA-N 302.400 -0.090 30 20 DBED CC[C@@]1(O)CCCN(C(=O)C(=O)N2CCN(CCC#N)CC2)C1 601517272 PLTNVVRDRFHRTF-MRXNPFEDSA-N 322.409 -0.192 30 20 DBED C[C@@H](C(=O)NC1(C#N)CCC1)N(C)CC(=O)N1CCN(C)CC1 602989150 FHEQEYTVOPTMFY-ZDUSSCGKSA-N 321.425 -0.357 30 20 DBED C=CCCOCCNC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1OC 660953731 BVZFUCQWMKUYMH-MNOVXSKESA-N 306.384 -0.310 30 20 DBED C#CCC[C@@H](O)CNC(=O)CS[C@H]1CCS(=O)(=O)C1 717918835 FDUCSALCIKGTQS-MNOVXSKESA-N 305.421 -0.203 30 20 DBED Cc1cccc2c(=O)n(CC(=O)OCC(=O)NCC#N)cnc12 731238942 NSHLVNYWCNYZGI-UHFFFAOYSA-N 314.301 -0.112 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)[C@@H]1CCN(C(=O)CC)C1 773220758 DTHNRFWNBQRFNW-SNVBAGLBSA-N 311.338 -0.200 30 20 DBED C#CCOCCNC(=O)NC1CCN(CC(=O)N(C)C)CC1 784327943 CPACZRPJVBEPJU-UHFFFAOYSA-N 310.398 -0.512 30 20 DBED C#CCNC(=O)[C@@H](C)OC(=O)CNC(=O)c1cccc(O)c1 785698125 MANSRQAZCZFTRU-SNVBAGLBSA-N 304.302 -0.197 30 20 DBED C=CCNC(=O)[C@@H](C)OC(=O)[C@H]1CCCN1S(C)(=O)=O 798894600 KAUXKDAERDKKRW-NXEZZACHSA-N 304.368 -0.356 30 20 DBED CC#CCS(=O)(=O)NC(=O)c1ccc(OCC(N)=O)cc1 810778783 MAWULIFYPZUHAI-UHFFFAOYSA-N 310.331 -0.366 30 20 DBED C[C@@](C#N)(CC(=O)O)C(=O)N1CC[C@H](NS(C)(=O)=O)C1 819811472 PINHHZCSTQTSQD-KWQFWETISA-N 303.340 -0.859 30 20 DBED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)[C@H]2CC(=O)N2)C1 832164063 XYQCMDGNHNXWET-AEJSXWLSSA-N 308.338 -0.250 30 20 DBED N#C[C@@H]1CNC[C@H]1NC(=O)Cn1nnnc1-c1ccsc1 843460042 LDEZMNNLZQNYJQ-NXEZZACHSA-N 303.351 -0.371 30 20 DBED C=CCN1CC[C@H](N(C)CC(=O)N=[S@](C)(=O)N(C)C)C1=O 878549162 BSGPDEAFYGKEAY-MQJDWESPSA-N 316.427 -0.194 30 20 DBED C#CCN1CCC[C@@H](NC(=O)NC[C@@H]2CCCS2(=O)=O)C1 884226640 XULUOKNPBYGOKN-OLZOCXBDSA-N 313.423 -0.040 30 20 DBED C#CCN1CCC[C@@H](NS(=O)(=O)N2CCO[C@H](C#N)C2)C1 885507994 AVICWAVLOWWTNQ-CHWSQXEVSA-N 312.395 -0.857 30 20 DBED C#CC1(O)CN(C(=O)N[C@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)C1 893330520 YZQFHCLLKITPIG-PWSUYJOCSA-N 317.349 -0.697 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)C1=NN(C)C(=O)CC1 895722032 BUIAMACYQLCSPD-QMMMGPOBSA-N 310.310 -0.462 30 20 DBED C#CCNS(=O)(=O)N1CCN(Cc2cnn(C=C)c2)CC1 895922747 VJEIUGZIFOYFRZ-UHFFFAOYSA-N 309.395 -0.431 30 20 DBED C#CC1(O)CN(S(=O)(=O)C[C@@]2(OC(C)C)CCOC2)C1 908230410 WZKOYESCCKPGQH-CYBMUJFWSA-N 303.380 -0.420 30 20 DBED COC(=O)CN1CCN(S(=O)(=O)CC(C)(C)C#N)CC1 914424522 ICOCXZJJQBLLGW-UHFFFAOYSA-N 303.384 -0.343 30 20 DBED O=C(NCC#CCO)NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 923777407 PTSVJQSASGFKMY-ZDEQEGDKSA-N 317.345 -0.912 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](NC(=O)c2cccc(C(N)=O)n2)C1 938139731 AVHKWVGKFJQNAD-ZJUUUORDSA-N 315.333 -0.329 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)CC(N)=O)C2)nc1 938372777 QXQCGBIFAKJODL-NSHDSACASA-N 300.318 -0.731 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CCN(C(=O)[C@@H]3COC(=O)N3)C2)c[nH]1 940099079 PYOLOIZKMJXWFT-KOLCDFICSA-N 317.305 -0.675 30 20 DBED C[C@@H](C#N)C(=O)N1CCCN(C(=O)c2ccc(C(N)=O)[nH]2)CC1 942153163 RYCXDJGFWUNWSA-JTQLQIEISA-N 317.349 -0.052 30 20 DBED CCN(C(=O)c1nnn(C)n1)[C@H]1CCN(C(=O)C#CC2CC2)C1 942918864 QVPJODNYBUKOQA-LBPRGKRZSA-N 316.365 -0.314 30 20 DBED Cc1nnccc1C(=O)NC[C@H]1CN(C(=O)[C@@H](C)C#N)CCO1 944691603 RKLGIJFFQKHLBR-JQWIXIFHSA-N 317.349 -0.098 30 20 DBED C=CCn1cccc1C(=O)N(C)C1CN(C(=O)CC(N)=O)C1 954545504 HSHNRUAUXUNTMB-UHFFFAOYSA-N 304.350 -0.168 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H]1CNC(=O)c1nccnc1N 956189287 VCSZUYBYKGQVHA-UWVGGRQHSA-N 302.338 -0.061 30 20 DBED C=CCN1C[C@H](CNC(=O)c2cnc(N(C)C)cn2)[C@@H](O)C1 958070224 YJDVJHPUGOCMEC-AAEUAGOBSA-N 305.382 -0.249 30 20 DBED N#CCN1C[C@@H](O)[C@H](CNC(=O)c2cccc3nn[nH]c23)C1 958092008 LETGQVOOBGBWQC-BXKDBHETSA-N 300.322 -0.496 30 20 DBED C=CCCN1C[C@H](O)[C@H](CNC(=O)c2cc(=O)c(OC)c[nH]2)C1 958262040 FQBPJJHSISWLLW-RISCZKNCSA-N 321.377 -0.018 30 20 DBED C=CCN1C[C@H](O)[C@H](CNC(=O)c2ccc(N(C)C)nn2)C1 958597816 GFWTVFOZDZPEKR-YPMHNXCESA-N 305.382 -0.249 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](CNC(=O)C2CCN(C(N)=O)CC2)C1 958657053 BXNWJWXBZMGTHX-KGLIPLIRSA-N 324.425 -0.238 30 20 DBED C=CCCN1C[C@H](CNC(=O)c2cn(C)c(=O)n2C)[C@@H](O)C1 958735627 DTFBKRPODKVKPU-AAEUAGOBSA-N 308.382 -0.678 30 20 DBED C=CCCn1cc(C(=O)NC2[C@H]3CN(CC(=O)NC)C[C@H]23)nn1 961990244 RNODNBYLVUDJMI-QWRGUYRKSA-N 318.381 -0.740 30 20 DBED O=C(N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O)C1=CCOCC1 962442648 CVWJKVXFNCSUPU-KGLIPLIRSA-N 304.346 -0.566 30 20 DBED C#CCCN1C[C@@H]2C(NC(=O)c3cn(C)c(=O)nc3O)[C@H]2C1 962531414 CZWWGDCFUKOWJG-UWVGGRQHSA-N 302.334 -0.831 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(C[C@@H](NC(=O)c3cnn(C)n3)CO2)C1 965742292 HWCBFRIHLQKWCP-VHSXEESVSA-N 318.337 -0.926 30 20 DBED CC[C@H](OC)C(=O)N1CC(N2CCN(C(=O)[C@@H](C)C#N)CC2)C1 967243562 FZXLICGLNKAPPJ-JSGCOSHPSA-N 322.409 -0.074 30 20 DBED C#CCCN1C[C@H]2CC[C@H]1CN2C(=O)c1cn(CC(N)=O)nn1 972147445 YEFBNZOVEKLMLG-NWDGAFQWSA-N 316.365 -0.925 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)CCn3cncn3)C2)C1 972261955 PRXYZMDZWMXSDX-OAHLLOKOSA-N 303.366 -0.395 30 20 DBED N#CCN1CCO[C@@]2(CCN(C(=O)[C@@H]3CCNC(=O)CC3)C2)C1 972480693 QLURLLRJJSMUQK-BBRMVZONSA-N 320.393 -0.270 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)c3cccc(=O)n3C)[C@H]2C1 977156363 NSDHOQHGDBQQKT-KZWBYHQPSA-N 314.345 -0.268 30 20 DBED CN(C(=O)c1nnn(C)n1)[C@H]1CCCN(C(=O)C#CC2CC2)C1 984185271 KSIRJKWJUSFUEO-LBPRGKRZSA-N 316.365 -0.314 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CN(C(=O)Cn3nccn3)C[C@@]2(C)C1 993351729 JYVBNYLIMDLQOZ-JMSVASOKSA-N 316.365 -0.255 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H](CC)OC)C1 994750981 KGHKVIUKWRMCGT-UONOGXRCSA-N 307.394 -0.164 30 20 DBED C[C@H](C#N)C(=O)N1CC(NC(=O)c2ccc(C(N)=O)s2)C1 995659809 YKXBBVVSOVUUDS-SSDOTTSWSA-N 306.347 -0.053 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@@H](C)[C@@H](NC(=O)C(N)=O)C2)cn1 1005218923 SRNUKODOKRPMTN-MFKMUULPSA-N 314.345 -0.485 30 20 DBED C[C@H](C#N)C(=O)N1CC([C@@H](C)NC(=O)c2ccc(=O)n(C)n2)C1 1006905311 DLTFUWWKFYAUSW-NXEZZACHSA-N 317.349 -0.483 30 20 DBED C#CCN1CCC[C@H](NC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 1008018186 YSNMPGYFMGWWTA-AAEUAGOBSA-N 301.350 -0.421 30 20 DBED N#Cc1ccccc1CN1CC[C@@H](NC(=O)Cn2cnnn2)C1 1010091466 BCLYYQIPEWLGIV-CQSZACIVSA-N 311.349 -0.065 30 20 DBED C#Cc1ccccc1CC(=O)N[C@H]1CCN(C(=O)C(N)=O)[C@H]1C 1012018271 ZMAOAWRVCKKICO-FZMZJTMJSA-N 313.357 -0.199 30 20 DBED N#Cc1c[nH]c(C(=O)NC2[C@H]3CN(C(=O)c4nc[nH]n4)C[C@H]23)c1 1012914779 HTAIVVZLGJMSIE-IUCAKERBSA-N 311.305 -0.495 30 20 DBED C[C@@H]1[C@H](NC(=O)c2cc(C#N)c[nH]2)CCCN1C(=O)C(N)=O 1014850115 DXTTZUITZVZKGD-PSASIEDQSA-N 303.322 -0.519 30 20 DBED C=CCN1CCC2(CC1)C[C@H]2NC(=O)CN1CC(=O)NC1=O 1016882064 MAJSVOCWCWOBJC-LLVKDONJSA-N 306.366 -0.305 30 20 DBED C[C@H]1[C@@H](NC(=O)c2ccc(=O)n(C)n2)CCN1C(=O)[C@H](C)C#N 1020538558 LWJDYFUUOHWXGW-VWYCJHECSA-N 317.349 -0.341 30 20 DBED Cc1c(C(=O)N2C[C@@H]3CCN(C(=O)[C@@H](C)C#N)[C@@H]3C2)nnn1C 1022563791 BYRIFDROYDNEOS-ZMLRMANQSA-N 316.365 -0.044 30 20 DBED C=CCCn1cc(C(=O)NC[C@@H]2CCCCN2CC(N)=O)nn1 1024699160 OWMQIUUHVQIWKE-LBPRGKRZSA-N 320.397 -0.076 30 20 DBED C=CCN1CC[C@@H](N2CC(CNC(=O)c3csnn3)C2)C1=O 1031880427 MCOSPBSOECLRBQ-GFCCVEGCSA-N 321.406 -0.013 30 20 DBED C=CCCN1CC[C@H](N(C)C(=O)Cn2ccc(=O)n(C)c2=O)C1 1033125151 ADOZXCHXINONER-ZDUSSCGKSA-N 320.393 -0.344 30 20 DBED C#CCCN1CC[C@@H](N(C)C(=O)[C@H]2CCN(C)S2(=O)=O)C1 1033501200 HZUHFQTYWAWACF-CHWSQXEVSA-N 313.423 -0.424 30 20 DBED CC#CCN1CCO[C@H](CNC(=O)c2ccnc3[nH]nnc23)C1 1035441327 YBUJODLBHYFCJV-LLVKDONJSA-N 314.349 -0.193 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)c2c[nH]nc2[C@@H]2CCOC2)C1 1035462275 YAKLRUCHEDTVBC-OLZOCXBDSA-N 318.377 -0.023 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CN(CC(N)=O)CCO1 1035542526 PRQOEAZUAACJAV-DYEKYZERSA-N 311.382 -0.730 30 20 DBED Cn1nnc2cccc(C(=O)NC[C@H]3CN(CC#N)CCO3)c21 1035631995 XEYFCCCBRLMJBJ-NSHDSACASA-N 314.349 -0.078 30 20 DBED C#CCN1CC2(CCN(C(=O)c3nnc(O)nc3O)CC2)C1 1035744288 FGLGVPMOFCCVGB-UHFFFAOYSA-N 303.322 -0.546 30 20 DBED C=C(Br)CN1CC[C@@H]1CNC(=O)c1nnn(C)n1 1038612274 VWNUUYADYTYZCG-MRVPVSSYSA-N 315.175 -0.077 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2CCN2[C@H]2CCN(C)C2=O)nn1 1038784088 RJELAYBWLSGPIN-YPMHNXCESA-N 318.381 -0.501 30 20 DBED C=CC(C)(C)C(=O)NC[C@]1(O)CCN(C(=O)CNC(C)=O)C1 1040485581 MBFARDWMIBRFCK-OAHLLOKOSA-N 311.382 -0.586 30 20 DBED C[C@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)Cc2ccon2)C1 1040759776 CXRQCOQJWSMEEW-QMTHXVAHSA-N 306.322 -0.544 30 20 DBED Cc1cc(C(=O)N[C@@H]2CN(c3ccc(C#N)nn3)C[C@H]2O)no1 1040898173 JMYBSGMOJZNLPV-VXGBXAGGSA-N 314.305 -0.376 30 20 DBED N#Cc1cnc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3CCOC3)C2)cn1 1040938503 HJZLSDXVFJLMRE-MVWJERBFSA-N 303.322 -0.950 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(O)(CNC(=O)COCC)C1 1041302675 AKARKMKXSOIFHL-ZDUSSCGKSA-N 300.355 -0.961 30 20 DBED Cc1nn(C)cc1C(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1042151740 VVVKLRROBGSKFO-UHFFFAOYSA-N 316.361 -0.555 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)CC2OCCCO2)C1 1042937155 ZZYGWMBHPKPIQW-UHFFFAOYSA-N 324.377 -0.512 30 20 DBED Cc1ccc(C(=O)NCC2(O)CN(C(=O)[C@H](C)C#N)C2)nn1 1042973238 SYRYPHSWKALQOJ-SECBINFHSA-N 303.322 -0.752 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)[C@H]2CC23CCC3)C1 1043039442 CMTNZXIFHBVEQH-QWHCGFSZSA-N 320.389 -0.096 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)c3cc(F)c[nH]3)C2)nn1 1044337614 VEAUAGFHNJQKMW-NEPJUHHUSA-N 316.296 -0.205 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)[C@@H]2CCNC(=O)C2)C1 1044455658 IDQOQZKQPQRIGE-LLVKDONJSA-N 323.393 -0.586 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(O)(CNC(=O)Cc2ccco2)C1 1045201898 OBMUMXUNSFFGOB-OAHLLOKOSA-N 322.361 -0.161 30 20 DBED O=C(NCC1(O)CN(C(=O)C#CC2CC2)C1)c1ncccn1 1045209373 VSKMZLKHKVVXQG-UHFFFAOYSA-N 300.318 -0.807 30 20 DBED C=CCCCC(=O)NCC1(O)CN(C(=O)[C@H]2CCCNC2=O)C1 1045459167 WOHCOTDHRJBYQA-LBPRGKRZSA-N 323.393 -0.442 30 20 DBED Cc1ncsc1C(=O)N1CC(O)(CNC(=O)[C@H](C)C#N)C1 1045541295 SNDZWMXMRMFBEX-MRVPVSSYSA-N 308.363 -0.086 30 20 DBED CC#CCN1[C@H]2CC[C@H]1CN(C(=O)CN1CCNC(=O)C1)CC2 1045826136 QWNBAXZLGUTSQI-GJZGRUSLSA-N 318.421 -0.493 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)c2nocc2C)C1 1046560595 VIZSKGUDCSQXSL-LLVKDONJSA-N 321.333 -0.676 30 20 DBED O=C(NCC1(O)CN(C(=O)C#CC2CC2)C1)[C@H]1C[C@]12CCOC2 1046583567 GCJMQPRZUZLKSI-CJNGLKHVSA-N 318.373 -0.484 30 20 DBED CN1C[C@H](C(=O)NC[C@H]2CN(CC#N)CCC2(F)F)NC1=O 1046966360 QMQSBAFNQVJUHY-VHSXEESVSA-N 315.324 -0.393 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CN(CC)CCO2)C1 1047634133 XRJBHOPAAWYSHY-KKUMJFAQSA-N 309.410 -0.766 30 20 DBED C[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1CNCc1nnn(C)n1 1048253719 RDSXIBCSCGQZEG-WCQYABFASA-N 302.382 -0.192 30 20 DBED CC(C)C#CC(=O)N(C)[C@H]1CN(C(=O)c2cncnc2)C[C@@H]1O 1048811190 PQSQLXUZFWUDBT-KBPBESRZSA-N 316.361 -0.220 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@]23COC[C@@H]2C3)C1 1048953875 OPERXOWSZWKBIP-WSMBLCCSSA-N 320.389 -0.144 30 20 DBED CC(C)c1nnnn1CC(=O)N1C[C@@H]2CN(CC#N)C[C@@H]2C1 1049103374 ATUNVQKCHCQPEO-TXEJJXNPSA-N 303.370 -0.290 30 20 DBED CC(=O)N1CCO[C@@H](C(=O)N2C[C@@H]3CN(CC#N)C[C@@H]3C2)C1 1049197583 JFOAVGRXJIBUHQ-HZSPNIEDSA-N 306.366 -0.853 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)c2cccnc2)C[C@@H]1O 1049388468 KXPYMDGESPSVCW-DRZSPHRISA-N 302.334 -0.115 30 20 DBED C#CCCN1CCOC[C@H]1CNC(=O)[C@@H]1CC(=O)N(CC)C1 1050945010 HQTLOYBYCKUALH-ZIAGYGMSSA-N 307.394 -0.305 30 20 DBED N#CCN1CCOC[C@H]1CNC(=O)[C@H]1CCc2nn[nH]c2C1 1051210511 WRDAMVCDZNVJFK-WDEREUQCSA-N 304.354 -0.750 30 20 DBED C=CCN1CCOC[C@@H]1CNC(=O)c1cccc(C(N)=O)n1 1051263809 LEVXGONVLQLMRN-NSHDSACASA-N 304.350 -0.203 30 20 DBED C#CCN1CC2(C1)CN(C(=O)c1cc3n(n1)CCO3)CCO2 1053288599 MPFCOAGKKZZVNU-UHFFFAOYSA-N 302.334 -0.565 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)c3cn(C)c(O)n3)CO2)C1 1053916870 ULBZOANDZNOUKD-NSHDSACASA-N 304.350 -0.278 30 20 DBED Cn1c(C(=O)N2CCN(c3nccnc3C#N)CC2)cnc1O 1055973697 AICITYCZXIQIQE-UHFFFAOYSA-N 313.321 -0.250 30 20 DBED N#Cc1ccc(N2CCCN(C(=O)[C@@H]3CNC(=O)N3)CC2)nc1 1057216495 WPKRZMCMNKGHGW-LBPRGKRZSA-N 314.349 -0.327 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)c1cnccn1 1057439687 WSGITAYLNBOQAG-UHFFFAOYSA-N 304.350 -0.169 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)CCn1ccnn1 1057439751 ZKGJLCMHCYYYBY-UHFFFAOYSA-N 321.381 -0.591 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)c1nonc1C 1057445191 LGSRBUARUPMIBY-UHFFFAOYSA-N 308.338 -0.268 30 20 DBED C[C@@H](C(=O)NCCN(CCO)C(=O)C#CC1CC1)n1cncn1 1057531535 SORCPBUXQMSMNC-LBPRGKRZSA-N 319.365 -0.810 30 20 DBED N#Cc1ccc(N[C@@H]2CCCN(C(=O)[C@@H]3CNC(=O)N3)C2)nn1 1057748541 LEONEAPYOKKGNG-MNOVXSKESA-N 315.337 -0.567 30 20 DBED C=CCCCC(=O)N(CCO)CCNC(=O)c1cn(C)nn1 1058621295 ATWCSMMAXNVQOK-UHFFFAOYSA-N 309.370 -0.278 30 20 DBED O=C(C#CC1CC1)NCCN(CCO)C(=O)c1ccc(O)nc1 1058809574 KTLIRZDKFACUOK-UHFFFAOYSA-N 317.345 -0.249 30 20 DBED Cc1cc(C#N)nc(N[C@H]2C[C@@H](NC(=O)Cn3ncnn3)C2)n1 1059726283 UNCYFOQVPQUFDM-AOOOYVTPSA-N 313.325 -0.598 30 20 DBED CNC(=O)NCC(=O)N1CC[C@@H](CCNC(=O)[C@@H](C)C#N)C1 1059783829 XJSUMKANZFVDLC-WDEREUQCSA-N 309.370 -0.570 30 20 DBED CC(C)C#CC(=O)NCC[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 1060258334 DFHUYKFCXQUNMZ-OLZOCXBDSA-N 320.393 -0.318 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H]1CC[C@H](CNC(=O)CC(N)=O)CC1 1060732421 ITBJDGRGWYDJLJ-JHJVBQTASA-N 323.393 -0.309 30 20 DBED C=C(C)CCC(=O)N1CCOC[C@@H]1CNC(=O)CNC(N)=O 1061268962 HNOATGUHQUXLDM-NSHDSACASA-N 312.370 -0.645 30 20 DBED C=CCCC(=O)NC[C@@H]1COCCN1C(=O)[C@H]1CCN(C)C1=O 1061402033 QOULHCOXJMPNAK-OLZOCXBDSA-N 323.393 -0.226 30 20 DBED C#CCCCC(=O)N1CCOC[C@H]1CNC(=O)c1cn(C)nn1 1061550555 QEOJWHLDEBXZBT-GFCCVEGCSA-N 319.365 -0.424 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)Cc1cnoc1 1061801079 PHENDHNMBDNWTL-PWSUYJOCSA-N 306.322 -0.280 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)Cc1cncn1C 1061847946 NZJRXPHQCDAYKA-YPMHNXCESA-N 319.365 -0.534 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)c1ccncn1 1061847949 OAEGKZKNOAALRF-QWRGUYRKSA-N 303.322 -0.407 30 20 DBED C#CCOCCC(=O)NC[C@H]1CN(C(=O)c2ncc[nH]2)CCO1 1065123763 FWKWWBRNTSJFIH-LBPRGKRZSA-N 320.349 -0.593 30 20 DBED Cn1nnc(C(=O)N[C@]2(C)CCN(c3ccncc3C#N)C2)n1 1065316544 FYFIDAHBLVZXHB-CQSZACIVSA-N 312.337 -0.124 30 20 DBED CCC(=O)NCC(=O)NC[C@@H]1CN(C(=O)[C@H](C)C#N)CCO1 1065556637 JAHJIDGBKUCUAG-GHMZBOCLSA-N 310.354 -0.984 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CN(C(=O)c2n[nH]cc2F)CCO1 1065585088 KBZKOMQBIBVDHW-IUCAKERBSA-N 309.301 -0.334 30 20 DBED CCOCC(=O)N1CC[C@@H](N2CCN(C(=O)[C@H](C)C#N)CC2)C1 1065683058 SFVMMLIJHJGGQZ-ZIAGYGMSSA-N 322.409 -0.072 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CCCN(C(=O)c2nnn(C)n2)CC1 1066480637 GJTYYJRMGNISHF-VHSXEESVSA-N 305.342 -0.519 30 20 DBED N#Cc1nccnc1N1C[C@H](CNC(=O)c2cccnc2)[C@@H](O)C1 1067642809 LDAHNFQISRUABB-JSGCOSHPSA-N 324.344 -0.030 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCOC2(CN(C(=O)C3CC3)C2)C1 1068396937 SWXRTDBAKIZGAE-LBPRGKRZSA-N 306.362 -0.126 30 20 DBED N#Cc1nccnc1NC[C@H]1C[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 1068589585 YAMKWHVVRMUESF-DBIOUOCHSA-N 314.349 -0.224 30 20 DBED C=C(C)CCC(=O)N1CC2(C[C@@H](NC(=O)CC(=O)NC)CO2)C1 1068831916 UBFQLFNPZNCJOF-GFCCVEGCSA-N 323.393 -0.035 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC[C@]2(CCCN(C(=O)C(N)=O)C2)C1 1069776992 WIIDVAWLMXFDQB-JKSUJKDBSA-N 323.393 -0.360 30 20 DBED C=C(C)CN1CCn2ncc(CNC(=O)[C@@H]3CNC(=O)N3)c2C1 1069871775 NFUHRMVXAVFGIO-LBPRGKRZSA-N 318.381 -0.428 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)C[C@H]2CCNC2=O)C1 1069945761 VGDSBMMGQPBSTF-UPJWGTAASA-N 318.381 -0.668 30 20 DBED C=CCN[C@@H]1CN(C(=O)Cc2cc[nH]n2)C[C@@H]1n1ccnn1 1070164625 JCKDARDRRCXKGK-OLZOCXBDSA-N 301.354 -0.229 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC[C@@H](NC(=O)c2cnnn2C)C1 1070726531 BXEZAPZBXAKFLH-NWDGAFQWSA-N 319.365 -0.426 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)c4cn(C)c(O)n4)C[C@@]3(C1)O2 1070850331 LAZAXKJKAYGFGO-XHBSWPGZSA-N 316.361 -0.326 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CN(C(=O)CCOC)C[C@@H]1C 1071432465 GWMHGQVIBUJODW-RYUDHWBXSA-N 309.366 -0.875 30 20 DBED C[C@@H](C(N)=O)N1CCC2(CN(C(=O)c3c[nH]c(C#N)c3)C2)C1 1072639773 INKSBKHQIGXSTG-JTQLQIEISA-N 301.350 -0.092 30 20 DBED C=CCN1CCC2(C1)CN(C(=O)[C@@H]1CCN(C)S1(=O)=O)C2 1073053214 AJKFYRHMYPBKFU-LBPRGKRZSA-N 313.423 -0.259 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(C)(NC(=O)[C@H](C)NC(N)=O)CC1 1073229117 QGTUDBIXLCQUHQ-UWVGGRQHSA-N 309.370 -0.300 30 20 DBED N#CCN1CCCO[C@@H](CNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1073710264 VTOLCRKMNUZQFK-ZQDZILKHSA-N 323.393 -0.231 30 20 DBED N#CCN1CCCO[C@H](CNC(=O)c2ccc(C(N)=O)cn2)C1 1073911240 KTWHRGCUOMWGFH-GFCCVEGCSA-N 317.349 -0.475 30 20 DBED C=CCOCC(=O)NCC1(O)CCN(C(=O)[C@@H](C)OC)CC1 1074498580 BXZCFTMQAFUZOQ-GFCCVEGCSA-N 314.382 -0.306 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CCN(C(=O)[C@H](C)CC(N)=O)CC1 1074659478 JBRYHCDANRDOMW-MNOVXSKESA-N 324.381 -0.873 30 20 DBED C=C[C@H](C)[C@@H](C)C(=O)NCC1(O)CCN(C(=O)C(N)=O)CC1 1074703920 WOLCLEZEFGSJRP-WDEREUQCSA-N 311.382 -0.600 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC[C@H](C)NC(=O)c1cnn(C)n1 1076300960 ZFGWFBSTIKOPQI-IINYFYTJSA-N 309.370 -0.233 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)c1ccns1 1076810972 XYBIKUBGXIDLHH-JTQLQIEISA-N 322.390 -0.093 30 20 DBED C=CCN1CC[C@@H](N2C[C@@H](O)[C@H](NC(=O)c3cc[nH]c3)C2)C1=O 1077042586 NDFLDRUEDUKMIM-MGPQQGTHSA-N 318.377 -0.424 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2cnc(OCC3CC3)cn2)C1 1077992008 CSRXURZXTDRGGP-ZIAGYGMSSA-N 316.361 -0.327 30 20 DBED C[C@@H](CCNC(=O)[C@@H](C)C#N)NC(=O)C1CS(=O)(=O)C1 1078136508 NUSWFOZBXLQIBN-IUCAKERBSA-N 301.368 -0.798 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)Cn2c(C)csc2=O)C1 1078164473 KJIJTVBQNUMNHZ-VXGBXAGGSA-N 311.407 -0.044 30 20 DBED Cc1cc(C(=O)N[C@@H]2CN(CC#N)C[C@H]2O)n2nc(C)cc2n1 1078197864 UJYNXKUSDWJKHY-DGCLKSJQSA-N 314.349 -0.355 30 20 DBED C=CCOCC(=O)N(CC)C1CN(C(=O)CCc2cnn[nH]2)C1 1079492752 LEPXLMFJQMHPRO-UHFFFAOYSA-N 321.381 -0.001 30 20 DBED C=C(C)CN1C[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@H](C)C1 1079730581 CHFYEOYHRGTDIX-GHMZBOCLSA-N 306.370 -0.610 30 20 DBED CC#CCCCC(=O)N1CCC(CO)(NC(=O)CC(N)=O)CC1 1080787310 WJAJSSTVKVRTLZ-UHFFFAOYSA-N 323.393 -0.475 30 20 DBED C[C@@H](C#N)C(=O)NC1(CO)CCN(C(=O)CC2(O)CCC2)CC1 1080980140 LGYWKMMRNPDIOL-LBPRGKRZSA-N 323.393 -0.079 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)Cc2ncc[nH]2)C[C@H]1O 1081343923 JQJBZRQFXJGVTR-VXGBXAGGSA-N 322.365 -0.910 30 20 DBED C#CCCN1C[C@@H](NC(=O)c2nc(C)c(C)[nH]c2=O)[C@H](OC)C1 1081841619 DDYUVSHKKFCCMG-CHWSQXEVSA-N 318.377 -0.161 30 20 DBED C#CCNC(=O)CC(=O)N1CCCC[C@H]1CNC(=O)COC 1082016014 VHHDIUUNLSXECF-LBPRGKRZSA-N 309.366 -0.730 30 20 DBED O=C(Cn1ncnn1)NC[C@@H]1CCCCN1C(=O)C#CC1CC1 1082064950 ZBCDDUZVCPEPCH-ZDUSSCGKSA-N 316.365 -0.416 30 20 DBED O=C(Cn1cnnn1)NC[C@@H]1CCCCN1C(=O)C#CC1CC1 1082065548 BNDGIIAFZQTMNM-ZDUSSCGKSA-N 316.365 -0.416 30 20 DBED C=C(C)CCN1C[C@@H](NC(=O)C2CC(=O)NC(=O)C2)[C@H](OC)C1 1082235213 QYFIMGYXRFAMQA-CHWSQXEVSA-N 323.393 -0.179 30 20 DBED C#CCN1C[C@@H](NC(=O)c2ccc3oc(O)nc3n2)[C@H](OC)C1 1082324387 MGPYAWIBJWAWAP-ZYHUDNBSSA-N 316.317 -0.009 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2Cc3cc(F)ccc3O2)C1 1083826651 DNRNOZLMWQNRMF-DYEKYZERSA-N 305.309 -0.186 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCc3nnc(C)n3C2)C1 1084084144 HZKMMZKXTRGVNC-MJBXVCDLSA-N 317.393 -0.666 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)[C@@H]3CCN(C)S3(=O)=O)[C@@H]2C1 1084715035 KUHPEESETLTTSW-UPJWGTAASA-N 311.407 -0.814 30 20 DBED N#CCN[C@H]1C[C@@H](CNC(=O)c2ccc(-n3cnnn3)cn2)C1 1086158258 YFEZNZJQBGRGHH-PHIMTYICSA-N 312.337 -0.321 30 20 DBED C#CCN1CCC(C(=O)N[C@@H]2CCN(CCCO)C[C@H]2O)CC1 1090830021 HZPFPTMFTCNWMZ-HZPDHXFCSA-N 323.437 -0.735 30 20 DBED CCC[C@H](OC)C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1091166584 VKUPREMNBFHTQY-AGIUHOORSA-N 319.365 -0.171 30 20 DBED N#Cc1ccc(NC2CC(CNC(=O)Cn3cncn3)C2)nn1 1092219631 VYQLJLKAKJTHOP-UHFFFAOYSA-N 312.337 -0.053 30 20 DBED COC(=O)c1nccc(N2C[C@H]3C(NC(=O)[C@H](C)C#N)[C@@H]3C2)n1 1093236805 LALFQDBOUIOSOD-OPRDCNLKSA-N 315.333 -0.026 30 20 DBED Cc1ccc(C#N)c(NCCNC(=O)Cn2cnnc2O)n1 1093558580 CYLMELWTCGMFIZ-UHFFFAOYSA-N 301.310 -0.213 30 20 DBED CNC(=O)c1ccc(C(=O)NCCN=c2cc[nH]cc2C#N)cn1 1093772381 BMNQFJGJVPNLHF-UHFFFAOYSA-N 324.344 -0.028 30 20 DBED Cn1ncc(CCC(=O)NCCN=c2cc[nH]c(C#N)n2)n1 1094121322 CVLXQWHPPJJPQM-UHFFFAOYSA-N 300.326 -0.940 30 20 DBED N#Cc1cnc(NCCCNC(=O)[C@H]2CC[C@@H]2C(N)=O)cn1 1094702794 CXKRAHGEMPCTEO-QWRGUYRKSA-N 302.338 -0.222 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)c3[nH]c(C)nc3C)CC2=O)C1 1094784547 GXCARUMCPFMZBW-LBPRGKRZSA-N 315.377 -0.325 30 20 DBED CC(=O)N(C)CC(=O)N1CC[C@H](N(C)c2cncc(C#N)n2)C1 1095109704 YFKVBQFWZRBUCZ-ZDUSSCGKSA-N 316.365 -0.136 30 20 DBED CN1CCO[C@@H](C(=O)NCCCN(C)c2cncc(C#N)n2)C1 1095521808 SVZUYYAWIMSLHP-CYBMUJFWSA-N 318.381 -0.379 30 20 DBED C[C@H](C(=O)N[C@@H]1CCN(c2nccnc2C#N)C1)S(C)(=O)=O 1096502749 UZSFHUAMUVKEJS-NXEZZACHSA-N 323.378 -0.524 30 20 DBED Cc1cc(=N[C@H](C)CNC(=O)[C@H]2COC(=O)N2)c(C#N)c[nH]1 1097817681 VCWBJEREZCZDDA-BXKDBHETSA-N 303.322 -0.291 30 20 DBED C#CCNCc1cn([C@@H]2CCN(C(=O)[C@H]3CCCO3)C2)nn1 1098604333 MKCASPRTHKDTOO-ZIAGYGMSSA-N 303.366 -0.047 30 20 DBED C[C@H](CCNC(=O)[C@H]1CN(C)C(=O)N1)Nc1ccc(C#N)nn1 1099617441 VGQXCIJEZFOVBE-MWLCHTKSSA-N 317.353 -0.321 30 20 DBED C=CCCCN1CC[C@H](NC(=O)c2ccc(=O)n(C)n2)[C@@H](O)C1 1100096584 JQSOUTNYIDTGMR-JSGCOSHPSA-N 320.393 -0.089 30 20 DBED CC(C)(CS(C)(=O)=O)C(=O)N[C@@H]1CCN(CC#N)C[C@H]1O 1100136595 PIAFNKWEVARLNQ-GHMZBOCLSA-N 317.411 -0.868 30 20 DBED CNS(=O)(=O)CC(=O)NCCN(C)c1ccc(C#N)nc1 1100140401 NKLBVLUIZJCHSY-UHFFFAOYSA-N 311.367 -0.945 30 20 DBED Cc1c[nH]nc1C(=O)NCC1CC(NCC(=O)NCC#N)C1 1100311559 VVMINIYHDPUXDP-UHFFFAOYSA-N 304.354 -0.544 30 20 DBED CNC(=O)NC(=O)CNC1CC(CNC(=O)C#CC(C)(C)C)C1 1100317344 PEWROGJMANBSCJ-UHFFFAOYSA-N 322.409 -0.024 30 20 DBED CN(CCNC(=O)c1cnc2[nH]nnc2c1)c1cncc(C#N)n1 1100382570 IDJGHQQQYHFPNV-UHFFFAOYSA-N 323.320 -0.119 30 20 DBED CCN(CCNC(=O)[C@@H]1COCCN1C)c1ccc(C#N)nn1 1100491360 CJAHSKJKOFZGGW-ZDUSSCGKSA-N 318.381 -0.379 30 20 DBED CC#CCNC1CC(CNC(=O)CN(C)S(=O)(=O)CC)C1 1100806589 AJNZQKWGXFGJIM-UHFFFAOYSA-N 315.439 -0.224 30 20 DBED N#Cc1nccc(N2CCC[C@H]2CNC(=O)Cn2nccn2)n1 1100871941 JXYJBMXAAUEMRM-NSHDSACASA-N 312.337 -0.275 30 20 DBED C#CCNC1CC(CNC(=O)CS(=O)(=O)NC(C)(C)C)C1 1100996562 ZIPXIFYELSGRKQ-UHFFFAOYSA-N 315.439 -0.178 30 20 DBED CNC(=O)NC(=O)CN1C[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@]2(C)C1 1101174470 UZPVZYNJYYJKHD-RWSFTLGLSA-N 321.381 -0.618 30 20 DBED CN1CCO[C@H](C(=O)N(C)CCNc2cncc(C#N)n2)C1 1101538353 UJWWHNFVAOFDMU-LBPRGKRZSA-N 304.354 -0.451 30 20 DBED CN(CCNc1cncc(C#N)n1)C(=O)[C@H]1COCCN1C 1101563982 AZBARZZFJKMTMO-GFCCVEGCSA-N 304.354 -0.451 30 20 DBED Cc1ccc(C#N)c(NCCN(C)C(=O)Cn2ncnn2)n1 1101800801 YQRMFQHHZUWIRR-UHFFFAOYSA-N 300.326 -0.181 30 20 DBED CCNC(=O)CC(=O)NC[C@@H]1CN(CC#CCOC)C[C@H]1C 1101898796 CVUBNXRGFILRTO-ZIAGYGMSSA-N 309.410 -0.154 30 20 DBED CN1C[C@H](C(=O)N(C)CCNc2nccnc2C#N)NC1=O 1101903149 RRBDVOFTLSOPGK-SNVBAGLBSA-N 303.326 -0.758 30 20 DBED COCC(=O)NCCC(=O)N(C)CCNc1cnc(C#N)cn1 1102004265 JNOMZYAVEDJAPE-UHFFFAOYSA-N 320.353 -0.629 30 20 DBED CN(C(=O)C(C)(C)C(N)=O)[C@@H]1CCN(c2ccc(C#N)nn2)C1 1102740061 FGVUYXHUCJPKIK-LLVKDONJSA-N 316.365 -0.103 30 20 DBED CC[C@H](CNC(=O)[C@H]1CCNC1=O)Nc1nccnc1C#N 1103259407 KYJWSJHWZGUZPR-ZJUUUORDSA-N 302.338 -0.209 30 20 DBED CN(CCN(C)c1ncccc1C#N)C(=O)[C@H]1CCNC1=O 1105535409 NYXABXABCHUFRX-LBPRGKRZSA-N 301.350 -0.016 30 20 DBED CN(CCN(C)c1ccnc(C#N)n1)C(=O)[C@H]1CCC(=O)NC1 1105599889 RWOYKBZDWOGSIR-NSHDSACASA-N 316.365 -0.231 30 20 DBED C[C@@H]1CN(C(=O)C(C)(F)F)C[C@H]1CNCC(=O)NCC#N 1105760245 LLTPAWUKQZRNGK-NXEZZACHSA-N 302.325 -0.035 30 20 DBED N#Cc1ccc(C(=O)NC[C@@H](O)CN=c2cc[nH]c(C#N)n2)[nH]1 1105788868 OVVIWPOISRPIJC-JTQLQIEISA-N 311.305 -0.827 30 20 DBED C[C@@](O)(CC(=O)NC[C@H](O)CNc1cncc(C#N)n1)C1CC1 1105827914 ZUTFKAKDWVFMDR-IUODEOHRSA-N 319.365 -0.212 30 20 DBED C=CCCOCC(=O)NC[C@H](O)CNc1cc(C)nc(CO)n1 1105889634 GQOGKMMUMQBOGN-GFCCVEGCSA-N 324.381 -0.241 30 20 DBED Cc1nsc(NC[C@H](O)CNC(=O)Cc2nc[nH]n2)c1C#N 1105959904 TZSLZQSKPMNSQM-MRVPVSSYSA-N 321.366 -0.427 30 20 DBED C=C(C)CNC[C@@H]1CN(C(=O)CNS(=O)(=O)NC)C[C@H]1C 1106481484 QFBRMTGSDNUJAU-VXGBXAGGSA-N 318.443 -0.700 30 20 DBED Cn1cc(CC(=O)NC/C=C\CN=c2cc[nH]c(C#N)n2)cn1 1107076821 IRFGRWXGURGYSL-IHWYPQMZSA-N 311.349 -0.169 30 20 DBED C[C@]1(CNC(=O)C(N)=O)CN(CC#Cc2ccccc2)CCO1 1108176795 FVTLVPOEHZGGHU-KRWDZBQOSA-N 315.373 -0.270 30 20 DBED C=CCOCC(=O)N[C@@H](C)CN(C)c1ccc2nnnn2n1 1108866831 FAIZFJOVLKLQOU-JTQLQIEISA-N 305.342 -0.337 30 20 DBED CO[C@H](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1109051695 GXMGVLNPUDZWGW-NDBYEHHHSA-N 308.382 -0.227 30 20 DBED C#CCO[C@H](C)C(=O)N(C)CCCNc1nccn2nnnc12 1109529681 XNJQGNOQHGHRGL-LLVKDONJSA-N 317.353 -0.182 30 20 DBED Cc1nonc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1110198368 TYRZLGFDAGHTQB-VWYCJHECSA-N 318.337 -0.647 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H]1CCCOC1 1110372730 UDZKFZHZBJLNQC-YJNKXOJESA-N 319.405 -0.116 30 20 DBED CCNC(=O)CC(=O)N[C@@]1(C)CCN(c2ccc(C#N)nn2)C1 1110742853 BFLLYWIKRBXVFN-HNNXBMFYSA-N 316.365 -0.041 30 20 DBED C[C@]1(NC(=O)Cn2ncnn2)CCN(c2ccncc2C#N)C1 1110786610 XTNHOSQSWUTYFF-AWEZNQCLSA-N 312.337 -0.275 30 20 DBED N#Cc1ccc(N2CC[C@@](O)(CNC(=O)c3cnn[nH]3)C2)nc1 1111143056 FCEAXMIYUWTNCM-CQSZACIVSA-N 313.321 -0.557 30 20 DBED Cc1nc(N2CCC[C@](CO)(NC(=O)C(N)=O)C2)ccc1C#N 1111363981 JKPSZOWNIRYVOZ-HNNXBMFYSA-N 317.349 -0.806 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNc1ccc2nnnn2n1 1111471827 SMTUCXIKSSJWLS-UHFFFAOYSA-N 317.353 -0.589 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1COCCN1c1ccnc(C#N)n1 1111662811 HKNYHYHHTHAEOY-MNOVXSKESA-N 300.322 -0.171 30 20 DBED C=CCNC(=O)NC(=O)CN1CCN(C(=O)c2ccon2)CC1 1112652321 GDWNVALEVIXIBB-UHFFFAOYSA-N 321.337 -0.556 30 20 DBED C[C@@H](NC(=O)C1CS(=O)(=O)C1)[C@@H](C)Nc1cnc(C#N)cn1 1113183281 OCCJVQUIODXTKF-RKDXNWHRSA-N 323.378 -0.302 30 20 DBED Cc1cnn(C)c1C(=O)N1CCN(CC(=O)NCC#N)CC1 1113214496 XJQURIXOZVAOBM-UHFFFAOYSA-N 304.354 -0.874 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCNC(=O)C1)N(C)c1cncc(C#N)n1 1113574888 IOCQFZYXMGPCLL-QWRGUYRKSA-N 316.365 -0.185 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)c2ccc(O)nc2)CC1 1113600867 BJJQRKWXQZTOGH-UHFFFAOYSA-N 303.322 -0.815 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)CCCOCC)[C@H]2C1 1113926418 ATFYSUPCMVGBNI-IHRRRGAJSA-N 321.421 -0.013 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CC(=O)N(C)C1)N(C)c1nccnc1C#N 1113942958 DOMZCCBTUYWBIM-WDEREUQCSA-N 316.365 -0.233 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@H]1[C@@H]2CN(Cc3ncnn3C)C[C@@H]21 1114193860 IKRJUFKUWQPEIU-FDRIWYBQSA-N 305.382 -0.311 30 20 DBED C=C[C@](C)(O)CC(=O)NC1[C@@H]2CN(Cc3cnnn3C)C[C@@H]12 1114193884 IPEKTPRDXKXZPH-JMSVASOKSA-N 305.382 -0.311 30 20 DBED C#CCCCC(=O)N[C@H]1[C@@H]2CN([C@H](C)C(=O)NC(=O)NC)C[C@@H]21 1114201187 LCEZXVMRVAHDQN-NMKXLXIOSA-N 320.393 -0.320 30 20 DBED N#CCNC(=O)CN1C[C@@H]2C(NC(=O)C3(C4CC4)CC3)[C@H]2C1 1114436121 AIMXGWNGFXAGRN-RYUDHWBXSA-N 302.378 -0.137 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)[C@@H]3CCC(=O)NC3)[C@H]2C1 1114501762 HUZMJNLPIJGXSR-CXTNEJHOSA-N 305.378 -0.791 30 20 DBED C#CCN1C[C@H]2C(NC(=O)[C@H](Cc3cnc[nH]3)NC(C)=O)[C@@H]2C1 1114770047 MSPIVABIIZRHKH-MCIONIFRSA-N 315.377 -0.864 30 20 DBED CCC[C@H](CCCS(C)(=O)=O)C(=O)NCC(=O)NCC#N 1117320341 HNVXSOQNIRWWAO-LLVKDONJSA-N 317.411 -0.017 30 20 DBED CC(C)O[C@H]1C[C@@H](NC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)C1 1118226612 WXZFJGZBDSTWRN-ZOWXZIJZSA-N 309.366 -0.064 30 20 DBED Cc1cc(=N[C@@H](CO)CNC(=O)[C@H]2CCOC2)c(C#N)c[nH]1 1121171353 GSNCLANTCVFTAN-WCQYABFASA-N 304.350 -0.391 30 20 DBED Cc1cc(C#N)nc(N[C@H](CO)CNC(=O)[C@@H]2CCCOC2)n1 1121198940 SWVRZXRLHOILCN-YPMHNXCESA-N 319.365 -0.028 30 20 DBED C#CCOCCC(=O)NC[C@H](CO)Nc1cc(C)nc(CO)n1 1122026489 CFZBPZBQPBKLGM-GFCCVEGCSA-N 322.365 -0.794 30 20 DBED CC[C@H](NC(C)=O)C(=O)NC[C@@H](CO)Nc1cnc(C#N)cn1 1122645354 YLQHNCKVUMODRT-RYUDHWBXSA-N 320.353 -0.848 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@H](CO)Nc1ncccn1 1122770027 OTGXJTUCQMCXFJ-STQMWFEESA-N 303.366 -0.537 30 20 DBED C[C@H]1C[C@H](N=c2cc[nH]cc2C#N)CN1C(=O)CCNC(N)=O 1123231788 NUHQFXSNYMQGGF-JQWIXIFHSA-N 316.365 -0.165 30 20 DBED CC(=O)N(C)CC(=O)N(C)C[C@H](O)CNc1ccc(C#N)nc1 1124112617 YGAIQCVUTGXRAQ-CQSZACIVSA-N 319.365 -0.337 30 20 DBED CCNC(=O)CC(=O)N(C)C[C@H](O)CNc1cnc(C#N)cn1 1124314953 MRSZPAVGYPNACA-LLVKDONJSA-N 320.353 -0.894 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]cc1C#N)C(=O)c1nc[nH]n1 1124460885 URZRGMTZXREOHK-JTQLQIEISA-N 301.310 -0.962 30 20 DBED COC[C@@H](OC)C(=O)N(C)C[C@@H](O)CNc1ccc(C#N)cn1 1124721906 RYWLXBYABDRCAG-QWHCGFSZSA-N 322.365 -0.154 30 20 DBED C#CCNC(=O)CC(=O)NCCNC[C@H](O)c1ccc(F)cc1 1125997670 CPFGUEBQSQUJCV-AWEZNQCLSA-N 321.352 -0.296 30 20 DBED C=C[C@](C)(O)CC(=O)NCCNCC(=O)Nc1cc(C)no1 1126360051 HSHIMJIFXPHPCG-AWEZNQCLSA-N 310.354 -0.046 30 20 DBED C#CCNC(=O)CC(=O)NCc1cnn2c1CN(CCC)CC2 1128312599 RBBIPFKHPHXYSQ-UHFFFAOYSA-N 317.393 -0.136 30 20 DBED COCC(=O)N(C)CC(=O)NCCNCc1ccccc1C#N 1128618849 CACINZIXUVSBDG-UHFFFAOYSA-N 318.377 -0.131 30 20 DBED C#CCC1(C(=O)NCCNCCNS(C)(=O)=O)CCC1 1129125116 MMZGTBCRBFFAKV-UHFFFAOYSA-N 301.412 -0.565 30 20 DBED C#CCCN[C@@H]1CN(C(=O)c2c[nH]nc2C)C[C@@H]1n1ccnn1 1129949048 MGYKQADPYHIPMK-KGLIPLIRSA-N 313.365 -0.012 30 20 DBED CC#CCN1C[C@H]2C[C@@H]3CN(C(=O)CNC(=O)NC)C[C@@]3(C1)O2 1131238483 YKSZRZWUBSADPZ-XJKCOSOUSA-N 320.393 -0.760 30 20 DBED C[C@H]1CC[C@H](NC(=O)c2cncn2C)CN1CC(=O)NCC#N 1132156957 KDRWIZLXXONOMS-RYUDHWBXSA-N 318.381 -0.357 30 20 DBED C#CCNC[C@H]1CN(C(=O)CNS(=O)(=O)CC)CC[C@@H]1C 1132864907 FEYFDFFRGMECFZ-STQMWFEESA-N 315.439 -0.367 30 20 DBED C=CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)CNC(=O)C1CC1 1133772588 ASAIJMKLBYJYGX-NEPJUHHUSA-N 324.425 -0.312 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)c1cnnc(O)c1 1134676448 OTDBEQIHPKPXKK-QWRGUYRKSA-N 319.365 -0.582 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1scnc1C1CC1 1134996118 RTVJJNQLUXTHMC-UHFFFAOYSA-N 307.379 -0.020 30 20 DBED CC#CCN[C@H](C)C[C@@H](C)NC(=O)CNS(=O)(=O)N(C)C 1135568643 RCPGXDGEPKCCJO-VXGBXAGGSA-N 318.443 -0.721 30 20 DBED C[C@@H](C[C@@H](C)NCC#N)NC(=O)CN1CCS(=O)(=O)CC1 1146313602 HWDACDKXKLSVOM-NEPJUHHUSA-N 316.427 -0.887 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)c1cccnc1)C2 1146882110 YNCOWLSIWFIJMA-UHFFFAOYSA-N 312.373 -0.021 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)COCCN(C)C)C1=O 1147848548 PHEXFJHSFXLLQA-ZDUSSCGKSA-N 312.414 -0.943 30 20 DBED C#CCOc1ncccc1C(=O)NCCNCc1ncnn1C 1148302218 GHXZFHZXOJCCTM-UHFFFAOYSA-N 314.349 -0.258 30 20 DBED C=CCOCCN1CCC2(C1)CN(C(=O)CCn1cnnn1)C2 1148480444 BRIWOLNRDTVDTG-UHFFFAOYSA-N 320.397 -0.200 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)CNC(=O)c2ccco2)C1 1150664129 RBBIZYIDQZDQDU-ZDUSSCGKSA-N 319.361 -0.150 30 20 DBED C#CCCN1CCCO[C@H](CNC(=O)[C@H](C)N2CCOCC2)C1 1150841548 JUPUDVZXELTCAZ-JKSUJKDBSA-N 323.437 -0.063 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)CCN1CCCCC1 1152348165 LPPTUAFVFHUMKI-CQSZACIVSA-N 308.426 -0.294 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)[C@@H]1CCCN1C 1152392793 UFZPVMGNSUTOHM-KGLIPLIRSA-N 308.426 -0.343 30 20 DBED C=CCNC(=O)CN(CC)[C@H](C)CNC(=O)c1nccnc1N 1152464860 FMNOJEMUYUFRGH-LLVKDONJSA-N 320.397 -0.199 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CCC(=O)N(C)C1 1152511311 ZLGXIKCKOPWHNM-NWDGAFQWSA-N 310.398 -0.749 30 20 DBED C#CCN(CC)[C@H](C)CNC(=O)CN1CCCCS1(=O)=O 1154332046 BZPPPNABNGIIGF-CYBMUJFWSA-N 315.439 -0.128 30 20 DBED C#CCNC(=O)CC(=O)NCCCN[C@@H](C)C(=O)N[C@@H](C)CC 1156857243 JJNFXSUASMZTTF-STQMWFEESA-N 324.425 -0.475 30 20 DBED C#CCNC(=O)CC(=O)NCCCNCc1cn(C)nc1C 1156857557 VBAQACPGZWDFOQ-UHFFFAOYSA-N 305.382 -0.536 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)[C@H](C)c1cncnc1 1164514157 VCWASDIBZAVCAG-OLZOCXBDSA-N 317.393 -0.186 30 20 DBED C#CCNCC1(CCNC(=O)COCc2ncnn2C)CC1 1167570031 QXGYMDCPEINDBI-UHFFFAOYSA-N 305.382 -0.159 30 20 DBED C#CCCNCC1(CCNC(=O)CN2C(=O)CNC2=O)CC1 1168023833 PVHBHJWDFXJUGK-UHFFFAOYSA-N 306.366 -0.562 30 20 DBED C=CCNCCCC[C@H](C)NC(=O)CN1C(=O)C(=O)N(C)C1=O 1175555466 HFFXNCVYMAMRED-NSHDSACASA-N 324.381 -0.142 30 20 DBED CNC(=O)CCCC(=O)N1CC[C@H]2OCCN(CC#N)[C@H]2C1 1176995062 RUHZRZKINGINBZ-QWHCGFSZSA-N 308.382 -0.272 30 20 DBED C=C(C)CN(CC)C(=O)CN[C@H]1CCN(C(=O)CC(N)=O)[C@H]1C 1178384387 WDFMXRPSDJJZOL-STQMWFEESA-N 324.425 -0.135 30 20 DBED COCC#CCNC[C@]1(C)CN(C(=O)[C@H]2CCC(=O)N2)C[C@H]1C 1180876967 WTUJVSGNWROVNB-CKEIUWERSA-N 321.421 -0.011 30 20 DBED C[C@H]1CN(C(=O)CN(C)S(C)(=O)=O)CC[C@H]1CNCC#N 1184523711 NMTVTQGEBMPEQT-RYUDHWBXSA-N 316.427 -0.524 30 20 DBED N#CCNC(=O)CN[C@@H]1CCN(C(=O)c2cc(C3CC3)[nH]n2)C1 1185840354 ABKYEFWGZJFZKE-LLVKDONJSA-N 316.365 -0.269 30 20 DBED CCn1ccnc1C(=O)N1CC[C@@H](N(C)CC(=O)NCC#N)C1 1189883407 SZNIHKWVZXJXGR-GFCCVEGCSA-N 318.381 -0.311 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](N(C)Cc2cnn(C)n2)C1 1190121760 RFNSVJFDLMPZKY-CQSZACIVSA-N 305.382 -0.112 30 20 DBED CCCC(=O)NCC(=O)N1CCCN(CC(=O)NCC#N)CC1 1195102179 YYDSAZFFCBUWDF-UHFFFAOYSA-N 323.397 -0.923 30 20 DBED C=C(C)C(C)(C)C(=O)N[C@@H]1CN(CCS(C)(=O)=O)C[C@H]1O 1195255372 RNMSJVAJNNZUCO-VXGBXAGGSA-N 318.439 -0.205 30 20 DBED C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)c2nnn(C)n2)C1 1195366813 PKQJIFNVMLPLHC-VXGBXAGGSA-N 308.386 -0.269 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(C)cc2=O)C1 1197434783 ZXYKQTAIMTXYQO-UKRRQHHQSA-N 319.361 -0.892 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)COCc2nc(CC)no2)C1 1197672793 GKBJKXYNBJFPKN-VXGBXAGGSA-N 324.381 -0.114 30 20 DBED C#CCNC(=O)[C@H](C)NC1CCN(C(=O)CSCC#N)CC1 1199405957 BMADOOIRNDQDRL-LBPRGKRZSA-N 322.434 -0.038 30 20 DBED C=CCOCC(=O)N1CCCO[C@H](CN[C@H](C)C(=O)NC)C1 1200109605 YCNFZIAGWDYXSI-CHWSQXEVSA-N 313.398 -0.469 30 20 DBED COCC#CCNC[C@H]1CN(C(=O)c2ccnnc2)CCCO1 1201494394 SFYWODBNQCMTJI-HNNXBMFYSA-N 318.377 -0.053 30 20 DBED Cc1cc(C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@H]2C)nn1C 1206274825 ZWJRDKDEIPWGAS-ZWNOBZJWSA-N 318.381 -0.582 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(CC(=O)NCC2CC2)C[C@H]1C 1206964232 ZKAZLFUEHWSIOL-VNHYZAJKSA-N 321.421 -0.013 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)c2cncnc2)C1 1207875875 ZFKIRHKRJBLAQG-TZMCWYRMSA-N 315.377 -0.191 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@H]2CCCC(=O)N2)C1 1208387190 OUCDXWILIAQYGT-CHWSQXEVSA-N 322.409 -0.462 30 20 DBED Cc1c[nH]c(C(=O)N2CCC[C@@H](NCC(=O)NCC#N)C2)n1 1210044863 IUNBGBIDVQPALQ-LLVKDONJSA-N 304.354 -0.448 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)[C@@H](C)SC)[C@H](OC)C1 1211911512 HFFKCFJRYZKSOX-IJLUTSLNSA-N 313.423 -0.697 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CCC(=O)NCC 1217528831 WCYWHLWIXCVSQY-UONOGXRCSA-N 307.394 -0.162 30 20 DBED CC1(C)CC(C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@@H]2O)C1 1219550507 BQDUYRQASIEPOV-NEPJUHHUSA-N 308.382 -0.776 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H](CCC)OC)C1 1220122515 RBTQYLYMCRUISA-FRRDWIJNSA-N 313.398 -0.735 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)CN(C)CCc2ccccc2)C1 1220373058 XYUAJQBWQLBGEU-SJORKVTESA-N 315.417 -0.045 30 20 DBED N#CCNC(=O)CN1CC[C@@H]2CN(C(=O)C3(CF)CC3)[C@@H]2C1 1221805747 IANXRCUUYWPSKQ-VXGBXAGGSA-N 308.357 -0.091 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CC(C)(C)O 1225986007 HFHHJGPEHPBTLD-CHWSQXEVSA-N 309.410 -0.086 30 20 DBED CC#CCN1CCC(NC(=O)CNS(=O)(=O)CC)CC1 1227645262 JUUQWVUWVIYWBX-UHFFFAOYSA-N 301.412 -0.470 30 20 DBED CC[C@@H](NC(C)=O)C(=O)NC1CCN(CC(=O)NCC#N)CC1 1229321163 GXCDSCVXVABSAO-CYBMUJFWSA-N 323.397 -0.879 30 20 DBED CCN(CC)CC(=O)NC1CCN(CC(=O)NCC#N)CC1 1229679359 WSOXZZLXJQKIQL-UHFFFAOYSA-N 309.414 -0.451 30 20 DBED C#CCN1CCS(=O)(=O)[C@H](CCNC(=O)c2cccn2C)C1 1230419426 IMORMQXLLGELHJ-CYBMUJFWSA-N 323.418 -0.123 30 20 DBED COCCN1CCN(C(=O)C(=O)N2CCC[C@](C)(C#N)C2)CC1 1261305211 QMDZGIVLPHOAPZ-MRXNPFEDSA-N 322.409 -0.071 30 20 DBED C=CC[C@H](NC(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)OCC 1320125702 VNZCERASHUCLMQ-JTQLQIEISA-N 309.322 -0.678 30 20 DBED COC[C@H](C#N)OC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 1320925185 RGRNSHVORJVIQD-MZQLCRGXSA-N 308.290 -0.769 30 20 DBED C[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccc(OCC#N)cc1 1324342315 ILANCNFNUQSKEB-SNVBAGLBSA-N 316.317 -0.126 30 20 DBED C=CCS(=O)(=O)NC(=O)[C@H]1CC12CCS(=O)(=O)CC2 1325038459 FOHJMOAPIAILEE-SECBINFHSA-N 307.393 -0.167 30 20 DBED CC(C)OC[C@H](CO)N(C)C(=O)C(=O)N1CC[C@@](F)(C#N)C1 1325177172 POQHPXSWIGKDOO-SMDDNHRTSA-N 315.345 -0.305 30 20 DBED C[C@H]1[C@@H](C)N(C(=O)C(=O)N2CC[C@@](F)(C#N)C2)CC[S@]1=O 1325834136 YERXTQYTDSFXHD-MTDFSXGESA-N 315.370 -0.182 30 20 DBED C=CCn1cc(CNC(=O)[C@@H](NC(=O)C2CC2)[C@@H](C)O)nn1 1326170381 PRAKYXJUGGJOGH-SKDRFNHKSA-N 307.354 -0.644 30 20 DBED C=CCN(C(=O)C(=O)N1CCn2cnnc2C1)[C@@H](C)COC 1327401295 WPFIXNKHEZWVDU-NSHDSACASA-N 307.354 -0.330 30 20 DBED C=C[C@H](CO)NC(=O)C(=O)Nc1c(C)nn(CCOC)c1C 1327444431 QTLJDWYBKRVSAS-LLVKDONJSA-N 310.354 -0.252 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)N2CCOCC3(CCC3)C2)C1 1328436048 KIQWPOBQUFJIQX-INIZCTEOSA-N 321.377 -0.107 30 20 DBED C=CCN1CCC(NC(=O)C(=O)N(C)C[C@H]2C[C@@H](O)C2)CC1 1330169142 JCUKYNMTSDBQDF-XBXGTLAGSA-N 309.410 -0.018 30 20 DBED C=CCN1CC[C@@H](n2cnc3nc(C)c(CCO)c(=O)n32)C1=O 1331119593 GUSFYVHIJLSWRS-GFCCVEGCSA-N 317.349 -0.306 30 20 DBED COC(=O)[C@H](C)N(C)C(=O)CCN/C(O)=C1\N=CC=CC1=O 1331809582 PQZHYNSQZCNUAJ-XRNDOFNESA-N 309.322 -0.077 30 20 DBED C=CCN(C(=O)C(=O)N[C@H]1CCCN(C)C1=O)[C@H](C)COC 1332480735 JCRLHGJSTKZFNP-NEPJUHHUSA-N 311.382 -0.227 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N[C@@H]1CCCN(CC)C1=O 1333726546 DNVGBNXPOGAGCF-CYBMUJFWSA-N 303.362 -0.401 30 20 DBED C=CCOCCNC(=O)C(=O)N1CCOC[C@H]1c1noc(C)n1 1333838124 PQUFLEGYDDDIPC-NSHDSACASA-N 324.337 -0.403 30 20 DBED C#CCOCCNC(=O)C(=O)N1C[C@@H](C(=O)O)[C@H](C2CC2)C1 1335183675 JBIDQSQBZCUJDB-NWDGAFQWSA-N 308.334 -0.678 30 20 DBED CNC(=O)[C@]1(C)CCN(C(=O)C(=O)N2CCC[C@H](C#N)C2)C1 1336466475 WUEHPIMCFCCYLQ-IAQYHMDHSA-N 306.366 -0.267 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N[C@H]1CCCS(=O)(=O)C1 1342118356 CESRGEAPZYKYCS-NSHDSACASA-N 318.395 -0.659 30 20 DBED CN(CCc1ccccn1)C(=O)Cn1cc(C#N)c(O)nc1=O 1362033555 WARJFIIHIYTIHR-UHFFFAOYSA-N 313.317 -0.083 30 20 DBED COC(=O)C[C@@H](NC(=O)Cn1cc(C#N)c(O)nc1=O)C1CC1 1362101708 IKZKMSGDUZJQJE-SNVBAGLBSA-N 320.305 -0.722 30 20 DBED C[C@H](CO)[C@H]1CCCCN1C(=O)Cn1cc(C#N)c(O)nc1=O 1363239546 MEFJSBLEFUYFSH-ZYHUDNBSSA-N 320.349 -0.170 30 20 DBED CN1CCC[C@@H](NC(=O)NCCn2cc(C#N)c(O)nc2=O)C1 1364205489 JLNTXYJITDEKPX-LLVKDONJSA-N 320.353 -0.786 30 20 DBED N#C[C@H]1CN(S(=O)(=O)C[C@H]2CCCS(=O)(=O)C2)CCO1 1365036467 PMHFNKKKPLUXOB-QWRGUYRKSA-N 322.408 -0.635 30 20 DBED COCCN(CCNC(=O)[C@@H](C)C#N)C(=O)CNC(=O)OC 1384412795 SDOGZJIMWNSSSB-JTQLQIEISA-N 314.342 -0.907 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1cnn(CC2CC2)c1 1389131390 VRXRYPFERCBAGC-ZWNOBZJWSA-N 319.365 -0.340 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](C)NC(=O)c1cnc2c(c1)nnn2C 1397581042 CAZFAEXQYDILQC-DTWKUNHWSA-N 315.337 -0.243 30 20 DBED CCN(C(=O)[C@H](C)C#N)[C@H](C)CNC(=O)c1cc(=O)n(C)cn1 1406083322 KAAIGSFROJEGOT-GHMZBOCLSA-N 319.365 -0.093 30 20 DBED Cn1c(=O)[nH]c(NCCN2CCOC(C)(C)C2)c(C#N)c1=O 1412875398 UAIBFZIKVJLFDQ-UHFFFAOYSA-N 307.354 -0.532 30 20 DBED CC(C)c1nnnn1CC(=O)N1CC[C@H](NC(=O)[C@H](C)C#N)C1 1414802769 IHPQOWJFQZMXMN-MNOVXSKESA-N 319.369 -0.327 30 20 DBED C[C@@H](C#N)C(=O)N(C)C[C@@H]1CCCN(C(=O)Cn2cnnn2)C1 1414902397 VXJGEQQGMAJCAD-RYUDHWBXSA-N 319.369 -0.470 30 20 DBED C[C@H](C#N)C(=O)NCC1CN(C(=O)CCCn2cncn2)C1 1416120719 PIUQOBSUCHDBIC-LLVKDONJSA-N 304.354 -0.207 30 20 DBED C=C(Cl)CN1CCN(CCNC(=O)CS(C)(=O)=O)CC1 1419103532 PJMTUOLXXPZJMJ-UHFFFAOYSA-N 323.846 -0.483 30 20 DBED C[C@@H](CN(C)C(=O)Cn1cnnn1)NC(=O)c1cc(C#N)c[nH]1 1427456600 IJMKNGZCJQOTRM-VIFPVBQESA-N 316.325 -0.850 30 20 DBED C[C@H](C(=O)N[C@@H]1C[C@H]2CCCCN2C1=O)n1cnc(C#N)n1 1433494989 BFDOAWDMWYHWNE-GMTAPVOTSA-N 302.338 -0.020 30 20 DBED COCCN(CC(C)C)C(=O)Cn1cc(C#N)c(O)nc1=O 1440793851 YXFWQUIIIYJYGJ-UHFFFAOYSA-N 308.338 -0.048 30 20 DBED Cc1c(C(=O)N2CC(O)(CC#N)C2)nnn1-c1cnn(C)c1 1447921533 JAVJHARZDWFZEN-UHFFFAOYSA-N 301.310 -0.590 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@@H]1CCCN(C(=O)C2(NC(N)=O)CC2)C1 1448395232 QIKCXBXYZIAYCS-WDEREUQCSA-N 321.381 -0.204 30 20 DBED N#Cc1ncn(CC(=O)N2CCS(=O)(=O)[C@@H]3CCC[C@@H]32)n1 1449611418 YHBGUVVQVWQPHT-VHSXEESVSA-N 309.351 -0.672 30 20 DBED C[C@H]1CN(CCNc2[nH]c(=O)n(C)c(=O)c2C#N)[C@@H](C)CO1 1472828145 BLLOJGMUEGWEEG-UWVGGRQHSA-N 307.354 -0.534 30 20 DBED COC(=O)c1ncccc1S(=O)(=O)N1CCO[C@@H](C#N)C1 1474932556 JKMSTHIZSMFOIH-VIFPVBQESA-N 311.319 -0.219 30 20 DBED C=CCNC(=O)CNC[C@H](NC(=O)[C@H]1CCCN1C)C1CC1 1483548633 BVPGVIMOIHYJPO-UONOGXRCSA-N 308.426 -0.133 30 20 DBED COC(=O)NCC(=O)NC[C@@H](C)N(C)C(=O)c1ccc(C#N)[nH]1 1486812184 FQOHENLUDZZUKU-SECBINFHSA-N 321.337 -0.181 30 20 DBED COCC1(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)CCC1 1489602757 NMTWDJAUWMUGIB-UTUOFQBUSA-N 309.366 -0.349 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)CCc1ccccn1 1533289516 LCVBHHXUELCGQL-WCQYABFASA-N 304.350 -0.233 30 20 DBED COc1cc(C#N)ccc1S(=O)(=O)N[C@@](C)(CO)C(=O)O 1571120266 RJTNQCDHBDVLJY-LBPRGKRZSA-N 314.319 -0.319 30 20 DBED C=CCOCC(=O)N[C@H]1CCC[C@H]1CNC(=O)CNC(=O)O 1573369493 UGEWUTLRIDKBOP-QWRGUYRKSA-N 313.354 -0.142 30 20 DBED C#CCN1CCC(NC(=O)NC[C@H]2CCO[C@H]2C(=O)O)CC1 1588476700 QUFPMVYHNZSOAO-DGCLKSJQSA-N 309.366 -0.127 30 20 DBED O=C(CCN/C(O)=C1\N=CC=CC1=O)N[C@@]1(C(=O)O)CCOC1 1594688597 SLQOZNAWDYOULB-GETOMWPZSA-N 323.305 -0.737 30 20 DBED C#CCOCCNC(=O)N1[C@H]2CC[C@H]1[C@H](C(=O)OC)[C@H]2C(=O)O 1602728655 ZUSVSRSTGNGESQ-BJDJZHNGSA-N 324.333 -0.318 30 20 DBED C[C@H](C(=O)N(C)CC(=O)N(CC#N)CCC(=O)O)n1cccn1 1603133416 LHQUDLFRKCRIPX-LLVKDONJSA-N 321.337 -0.271 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N2CCC[C@H](CC(N)=O)C2)CCO1 1647180295 WUBXFEJFCAIXSD-GHMZBOCLSA-N 316.383 -0.957 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@@H](NC(=O)c2nccnc2N)C1 1713820220 RSGJIJHJZQUAEM-GHMZBOCLSA-N 316.365 -0.999 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H]1[C@@H]2CN([C@H](C)c3nncn3C)C[C@@H]21 1752844399 QAIMOQDAAJTBBO-POQQGIQPSA-N 317.393 -0.039 30 20 DBED C#CCCN(C)[C@H]1CCCN(C(=O)C[C@H]2CC(=O)NC2=O)C1 1753001034 RPEVQJCZJACWME-OLZOCXBDSA-N 305.378 -0.015 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)CCNCc1cnn(CC)n1 1753200084 XUHOZHDDSSZWKL-HNNXBMFYSA-N 318.425 -0.056 30 20 DBED CC#CCNC[C@@H](O)CNC(=O)[C@@H]1COc2ccccc2O1 1753935525 KPRXQNPZXBNFBB-DOMZBBRYSA-N 304.346 -0.084 30 20 DBED C#CCNC(=O)[C@H](C)NCCN(CC)C(=O)CN1CCCC1 1754081907 MJTADESFAPTZSS-AWEZNQCLSA-N 308.426 -0.342 30 20 DBED COCC#CCN1CC[C@@H]1CNC(=O)[C@@H]1CCNC(=O)CC1 1754503559 WOPXBXPFBROARF-UONOGXRCSA-N 307.394 -0.257 30 20 DBED CC(C)N1CCC[C@@H]1C(=O)NCC1(NCC(=O)NCC#N)CC1 1754515455 RZUSFEHNVLLBQO-CYBMUJFWSA-N 321.425 -0.263 30 20 DBED C[C@]1(NC(=O)c2c[nH]c(C#N)c2)CCN(CC(=O)NCC#N)C1 1754672769 ODJOSNKMXZDJCI-HNNXBMFYSA-N 314.349 -0.280 30 20 DBED C=CCOCC(=O)NC[C@@]1(O)CCN(Cc2nc(C)no2)C1 1754746625 WYSMKFFERBJLMJ-AWEZNQCLSA-N 310.354 -0.366 30 20 DBED C=CCOCC(=O)NC[C@]1(O)CCN([C@@H](C)c2nnnn2C)C1 1754746810 ZWVCCKMXSBGMFD-SMDDNHRTSA-N 324.385 -0.973 30 20 DBED C=CCN[C@@H](C)[C@H]1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)C1 1754795685 RNZLANHGKKNCGI-STQMWFEESA-N 320.393 -0.440 30 20 DBED C#CCNC(=O)CN1CCOC[C@@H]1CNC(=O)c1conc1C 1754971342 LIUHMMTVTJXIHZ-LBPRGKRZSA-N 320.349 -0.837 30 20 DBED CC#CCN[C@@]1(CO)CCCN(C(=O)[C@H]2CCC(=O)N2C)C1 1755087761 HTAJLZABVAPIAP-CJNGLKHVSA-N 307.394 -0.426 30 20 DBED C=C(C)CN1CC(CCO)(NC(=O)c2cn(C)c(=O)n2C)C1 1755344737 SFKYIUTWNPXOOY-UHFFFAOYSA-N 308.382 -0.534 30 20 DBED C[C@H](C(=O)NC[C@H]1[C@@H]2CN(CC#N)C[C@H]12)N1C(=O)CCC1=O 1755424207 HBRHGFVFZRJOIF-KKOKHZNYSA-N 304.350 -0.659 30 20 DBED CNC(=O)CN[C@H](C)[C@H]1CN(C(=O)CSCC#N)CCO1 1755438348 JEOYTSQIQFIWTD-GHMZBOCLSA-N 314.411 -0.805 30 20 DBED C[C@@H](CCCNCC#N)NC(=O)[C@@H]1Cc2cncn2C(=O)N1 1755507241 BGVDVHFYPIAHAZ-JQWIXIFHSA-N 304.354 -0.236 30 20 DBED C#CCN1CCN(C(=O)N2CCN(C(=O)CCOC)CC2)CC1 1755556241 XACSHPVAKMTQMX-UHFFFAOYSA-N 322.409 -0.462 30 20 DBED C#CCCN[C@H](CO)CNC(=O)c1cnn2cc(C)cnc12 1755640242 HWFNXXBFUHRNCQ-LBPRGKRZSA-N 301.350 -0.259 30 20 DBED COCC#CCN[C@@H](CO)CNC(=O)c1coc(CC2CC2)n1 1755643887 SQSFIVIAWUYPMF-CYBMUJFWSA-N 321.377 -0.043 30 20 DBED COCC#CCNC[C@@H](O)CN(C)C(=O)c1cnn(C)c1C 1755772969 JQZMVKCUNNLHJD-CYBMUJFWSA-N 308.382 -0.599 30 20 DBED CC#CCN(C)C[C@H](O)CN(C)C(=O)c1ccc(C(N)=O)cn1 1755807893 NGFIHPUVSIQGFE-ZDUSSCGKSA-N 318.377 -0.432 30 20 DBED COCCN(CCNC(=O)C#CC1CC1)CC(=O)NC1CC1 1755838513 UALGLRQBKDYGBQ-UHFFFAOYSA-N 307.394 -0.257 30 20 DBED C#CCOCCC(=O)NCC1CC(NC(=O)Cc2nc[nH]n2)C1 1755944504 AAANETVBFSYITF-UHFFFAOYSA-N 319.365 -0.602 30 20 DBED C=CCOCC(=O)N1C[C@H]2[C@H](CNC(=O)CCNC(N)=O)[C@H]2C1 1756202229 VYIWGQHTHWCKRT-CNDDSTCGSA-N 324.381 -0.932 30 20 DBED CNC(=O)NCC(=O)NCC1[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]12 1756203501 PESOFAVUCQQYRL-STQMWFEESA-N 318.377 -0.851 30 20 DBED C=C(Cl)C(C)(C)C(=O)N(C)CCOCCNC(=O)C(N)=O 1756381966 VDYSPTFBPMWHED-UHFFFAOYSA-N 319.789 -0.158 30 20 DBED CC#CCCCC(=O)NC[C@H](CO)NC(=O)[C@H]1CCC(=O)NC1 1756543398 PHRATPLYYIZYCA-QWHCGFSZSA-N 323.393 -0.701 30 20 DBED C=CCC1(C(=O)NC[C@H](CO)NC(=O)Cn2nccn2)CCC1 1756549368 XUJCSJQAIMNFGE-GFCCVEGCSA-N 321.381 -0.382 30 20 DBED C#CCCCCC(=O)N1CC[C@@H]1CN(C)C(=O)Cn1ncnn1 1757287328 DCGJQVVCEYQLOA-CYBMUJFWSA-N 318.381 -0.074 30 20 DBED N#Cc1ccc(CS(=O)(=O)CC(=O)NCCC(N)=O)cc1 1771611804 RFGAVFOUIOHGMM-UHFFFAOYSA-N 309.347 -0.535 30 20 DBED COCCN(C(=O)CN[C@H](C)CC#N)[C@H]1CCS(=O)(=O)C1 1771861575 WDARXWZLWLWOHH-NEPJUHHUSA-N 317.411 -0.460 30 20 DBED COC(=O)CCN(CC(=O)O)S(=O)(=O)N(C)[C@@H](C)CC#N 1777105148 ZCLGGAKYYZZJOY-VIFPVBQESA-N 321.355 -0.585 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)Cc1noc(C)n1)CCO2 1783047783 HTZSTPURJDNIRB-HNNXBMFYSA-N 318.333 -0.616 30 20 DBED C#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1nc[nH]n1)CCO2 1785422698 JWXOLZTYPVXQLF-OAHLLOKOSA-N 317.349 -0.338 30 20 DBED N#CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ncon3)C[C@@H]21 1786367350 JZPHVDMIHCDOPE-DCAQKATOSA-N 319.321 -0.423 30 20 DBED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCN(C)C)[C@H]2C1 1786719934 KDCPZHBNFYCVGX-IHRRRGAJSA-N 307.394 -0.449 30 20 DBED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccnn3)[C@H]2C1 1788856027 FQOZPNWXRXOWTP-OBJOEFQTSA-N 314.345 -0.297 30 20 DBED C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CNC(=O)N(C)C 1792701501 NJMQSPKVGMXYMW-ZSBIGDGJSA-N 306.366 -0.471 30 20 DBED CC(C)=NO[C@H](C)C(=O)N1CC2(CCCN2C(=O)C(O)O)C1 1841236066 VABXWDDPRXJBAE-SNVBAGLBSA-N 313.354 -0.699 30 20 DBED C[C@@H](NS(=O)(=O)c1ccc(C#N)nc1)[C@@H]1CN(C)CCO1 125788952 YQKGXHDQRHIJJL-MFKMUULPSA-N 310.379 -0.049 30 20 DBED N#CCN1CCN(C(=O)Cn2nnc3ccccc3c2=O)CC1 152677881 WZCUFGBTKXDJPM-UHFFFAOYSA-N 312.333 -0.541 30 20 DBED CNS(=O)(=O)[C@H]1CCN(CC(=O)N[C@](C)(C#N)C(C)C)C1 156185180 NXFPOWPDHZGGDT-WCQYABFASA-N 316.427 -0.336 30 20 DBED CC/N=C(/NC[C@H]1CN2CCN1CC2)N(C)Cc1cnn(C)c1 178509814 UYCVADJIJWONPU-HNNXBMFYSA-N 319.457 -0.183 30 20 DBED C/N=C(\N)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 195522807 ZPTSREGRIIHRCU-UHFFFAOYSA-N 301.328 -0.593 30 20 DBED CCCN(CC#N)C(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 266272438 OJMNHBUACLTVEN-WFFHOREQSA-N 305.334 -0.089 30 20 DBED N#Cc1ccc2c(c1)N(C(=O)C(=O)N1CCO[C@@H](CO)C1)CC2 270126428 AOPYAWIKZWBOBY-CYBMUJFWSA-N 315.329 -0.333 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N[C@@H]1CCCCNC1=O 272847599 PJRWEUZYKJMULE-SNVBAGLBSA-N 303.384 -0.445 30 20 DBED COC(=O)[C@@H]1[C@H](O)CCCN1CC(=O)N(CCC#N)CCC#N 275505442 HGVMNDZXNXXVNK-OCCSQVGLSA-N 322.365 -0.359 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)[C@@H](C)N2CCN(C)CC2)C1=O 281821015 VPXFSQFFQRPQDO-ZIAGYGMSSA-N 308.426 -0.132 30 20 DBED COC(=O)[C@@H](CNC(=O)C(=O)Nc1ccc(F)cc1C#N)OC 293342251 KOBJGCQSLLHINC-LLVKDONJSA-N 323.280 -0.060 30 20 DBED C#CCOc1ccc(CNC(=O)NCCS(N)(=O)=O)cc1 297211726 YPQQZVVRYJXLPO-UHFFFAOYSA-N 311.363 -0.214 30 20 DBED CCn1cc(C#N)c(=O)n(CC(=O)Nc2c(C)n[nH]c2C)c1=O 298605333 OXVKWASEBUBGSY-UHFFFAOYSA-N 316.321 -0.120 30 20 DBED COCCN(CCC#N)S(=O)(=O)NCCNC(=O)C(C)C 336908309 VJPYFYHDMFLRRY-UHFFFAOYSA-N 320.415 -0.545 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1CCn2ncnc2C1 336937059 GQMSUNAJFFKBIC-UHFFFAOYSA-N 314.371 -0.799 30 20 DBED CCOC(=O)CN(CC(N)=O)C(=O)Cc1noc(C)c1C#N 354371059 DZRYPBHCJNUBIB-UHFFFAOYSA-N 308.294 -0.726 30 20 DBED COC(=O)c1cc(C#N)c(=O)n([C@@H](C)C(=O)NCC(C)=O)c1 358856805 LKVJYNMRAOXIPW-VIFPVBQESA-N 305.290 -0.227 30 20 DBED C=CCN(CCOC)C(=O)CNS(=O)(=O)c1cnn(C)c1 361090713 CWIKDMZYSKGPSQ-UHFFFAOYSA-N 316.383 -0.641 30 20 DBED C[C@@H](O)CN(C)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N 361945254 CMEMRKAWJFZSOI-SECBINFHSA-N 307.354 0.287 30 20 DBED CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)N1CCO[C@@H](C#N)C1 408395136 POCQUIMRNCMGJF-UWVGGRQHSA-N 303.384 -0.299 30 20 DBED C=CCCOCCNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C 418993364 NZFZEJNHDNARBD-NEPJUHHUSA-N 313.398 -0.076 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N[C@H]2CCC[C@@H]2CN)nn1 424541116 HEERQUFCKWSHDE-PWSUYJOCSA-N 306.370 -0.676 30 20 DBED COc1ccc(C#N)cc1NC(=O)C(=O)N1C[C@@H](O)C[C@@H]1CO 442276739 AKIKWUXQVWOAPZ-MNOVXSKESA-N 319.317 -0.541 30 20 DBED C[C@@H](NC(=O)Cn1cc2c(c(C#N)c1=O)CCC2)C(=O)N(C)C 447407410 ATWBUXNWHOVVMA-SNVBAGLBSA-N 316.361 -0.198 30 20 DBED Cn1c(=O)c2ccn(CC(=O)NC3(C#N)CCC3)c2n(C)c1=O 525802230 RWSKIOPMTGQXKT-UHFFFAOYSA-N 315.333 -0.399 30 20 DBED CNS(=O)(=O)[C@H]1CCN(CC(=O)NC2(C#N)CCC2)C1 527128657 OAPWLPUSSNGRPJ-JTQLQIEISA-N 300.384 -0.828 30 20 DBED CC1(C#N)CCN([C@@H]2CC(=O)N(CCOCCO)C2=O)CC1 562228926 XJJJNGFAVHJGNZ-GFCCVEGCSA-N 309.366 -0.252 30 20 DBED Cn1c(=O)c2cc(C(=O)N3CC(C)(C#N)C3)n(C)c2n(C)c1=O 566890517 MRQNOWKBOGCKTC-UHFFFAOYSA-N 315.333 -0.439 30 20 DBED CN(C)CCN1CCC(NC[C@H](O)CN(C)CCC#N)CC1 567694247 MHEMCYWLWHSALK-INIZCTEOSA-N 311.474 -0.192 30 20 DBED C=CCOC[C@H](NS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1)C(=O)O 567809443 UOYFMZGSWVOEJM-MXWKQRLJSA-N 322.383 -0.414 30 20 DBED CS(=O)(=O)N1CC[C@H](N[C@@H](C(N)=O)c2ccc(C#N)cc2)C1 567998125 BSHHARNZSNLIPH-QWHCGFSZSA-N 322.390 -0.292 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)NCCN1CCC(O)CC1 568262228 HXWYPNRKGLSSHZ-LLVKDONJSA-N 304.416 -0.631 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N2CC[C@H](n3cccn3)C2)CCO1 569657705 PGDAHWYUWKRTGV-NWDGAFQWSA-N 311.367 -0.401 30 20 DBED CC(C)NS(=O)(=O)N1CCN(c2cc(C#N)ncn2)CC1 573356285 NXLNSWGXCPUVBF-UHFFFAOYSA-N 310.383 -0.287 30 20 DBED CN(C)S(=O)(=O)N(C)CC(=O)N1CCSC[C@@H]1C#N 575927532 GFMFILPGYCLBLE-VIFPVBQESA-N 306.413 -0.808 30 20 DBED C[C@@H]1C[C@@H](O)CN1C(=O)CNS(=O)(=O)c1cccc(C#N)c1 577112570 ZAIYABITYZUBJH-ZYHUDNBSSA-N 323.374 -0.182 30 20 DBED C=C[C@@H](O)C(=O)N1CCS(=O)(=O)C[C@H]1c1cnn(CC)c1 597535471 BJUCWJJQNOGZBO-NWDGAFQWSA-N 313.379 -0.252 30 20 DBED Cc1cc(NC(=O)NC[C@@H](C)S(N)(=O)=O)nn1CCC#N 611533151 DXJHWZFMDMZUQB-SECBINFHSA-N 314.371 -0.096 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2CC[C@@H](C(=O)N(C)C)O2)nn1 648345546 XVZSWYQRHORVFO-JQWIXIFHSA-N 307.354 -0.170 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C)C[C@@H]2CCOC2)C1=O 675358398 UIKAPXFTVODLLD-MNOVXSKESA-N 323.349 -0.106 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)c1ccc(C(=O)NC)nc1 728678817 AGABYEZKJHXLID-UHFFFAOYSA-N 320.305 -0.390 30 20 DBED CCOc1ccccc1C(=O)NCC(=O)OCC(=O)NCC#N 731234256 ATFMVSCBPLUBBS-UHFFFAOYSA-N 319.317 -0.002 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)c1cc(N)cc(S(C)(=O)=O)c1 747726945 KJXMWRGHVMCNDT-VIFPVBQESA-N 324.358 -0.033 30 20 DBED C=CCNC(=O)NC(=O)CN(CCS(C)(=O)=O)C(C)C 753862203 HOAYMVAHASVKBX-UHFFFAOYSA-N 305.400 -0.247 30 20 DBED COCCN1CCN(c2cccc(S(N)(=O)=O)c2C#N)CC1 754972350 FIVUXMPMVSLXHQ-UHFFFAOYSA-N 324.406 -0.026 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)CN(C)[C@@H]1CCSC1 772059269 HCSBHKLQMXSHBX-SNVBAGLBSA-N 315.395 -0.021 30 20 DBED C#CCOCCNC(=O)C(=O)Nc1cnn(CC(=O)OC)c1C 796993639 SQJYHFAYVQYILD-UHFFFAOYSA-N 322.321 -0.931 30 20 DBED N#Cc1ncn(CCNC(=O)N2CCCC3(C2)OCCO3)n1 807510180 CYNLCBZWYHGROQ-UHFFFAOYSA-N 306.326 -0.302 30 20 DBED C#C[C@H](NC(=O)NCCCn1cc(CO)nn1)[C@@H]1CCCO1 812199559 BDDINCWWODSCQH-STQMWFEESA-N 307.354 -0.360 30 20 DBED CN(C[C@H]1CCS(=O)(=O)C1)C(=O)[C@@](C)(C#N)CC(=O)O 820580267 ZIMCEBRPRQCWAP-BXKDBHETSA-N 302.352 -0.116 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@H](OC)C2CCC2)CC1 825967348 HTFDZDSCAYPXQU-OAHLLOKOSA-N 307.394 -0.305 30 20 DBED CCOC(=O)C1=C(CN2CC[C@@](O)(CC#N)C2)NC(=O)N[C@H]1C 829969052 MUQYMHGEYPJMGW-BONVTDFDSA-N 322.365 -0.145 30 20 DBED C=CCn1cc(C(=O)OCC(=O)NCC(=O)NC(C)(C)C)nn1 830131642 XMPZWHKVTYNZJM-UHFFFAOYSA-N 323.353 -0.348 30 20 DBED N#C[C@@H]1CNC[C@@H]1NC(=O)Cn1nc(-c2ccccc2)oc1=O 834499737 MESIRWKVHUNXKZ-NEPJUHHUSA-N 313.317 -0.269 30 20 DBED C=CCn1cc(C(=O)NS(=O)(=O)C[C@H]2CCOC2)nn1 842747505 JHXYHGWDZCFIAY-VIFPVBQESA-N 300.340 -0.440 30 20 DBED C#CC[C@H](CO)NC(=O)CC(C)CC(=O)N[C@@H](CO)CC#C 854541109 CMTPYCNMGVWKEO-ZIAGYGMSSA-N 308.378 -0.597 30 20 DBED C#CC[C@H](CO)NC(=O)c1ccc(CCNS(C)(=O)=O)cc1 854548054 PHLXSCGSFGUUFN-CQSZACIVSA-N 324.402 -0.108 30 20 DBED C#CCCN(CCOC)C(=O)CN1CCN(CC)C(=O)C1=O 856386874 ZGIZLPYMTFDANY-UHFFFAOYSA-N 309.366 -0.825 30 20 DBED C#CCOc1ccc(NC(=O)C(=O)N[C@@H]2COCC[C@H]2O)cc1 874097848 AHXWPKLDACWYHF-ZIAGYGMSSA-N 318.329 -0.097 30 20 DBED CN(CCO)CCNS(=O)(=O)c1ccc(C#N)c(F)c1 885804277 JDHRUSFTBCWWME-UHFFFAOYSA-N 301.343 -0.100 30 20 DBED Cc1nn[nH]c1C(=O)N[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 938395841 QEAKWPMWGDBICL-JTQLQIEISA-N 313.321 -0.043 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2nc[nH]n2)C1 938450637 XWYXWGZDRSOOIM-RYUDHWBXSA-N 316.365 -0.767 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](N(C)C(=O)CN2C(=O)CCC2=O)C1 939406629 RWGMXPBIXGDSFR-GHMZBOCLSA-N 320.349 -0.646 30 20 DBED C=CCN1CC[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C[C@@H]1C 947761820 QUUCCIWCPYSVIS-NWDGAFQWSA-N 320.393 -0.147 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(NC(=O)C[C@@H]2CCC(=O)N2)CC1 948099173 QSXFXSPBNDYNLQ-JQWIXIFHSA-N 306.366 -0.078 30 20 DBED C#Cc1cncc(C(=O)N[C@H]2CCN(C(=O)C(N)=O)[C@H](C)C2)c1 955808807 KPVCTWNMKSPRBJ-MFKMUULPSA-N 314.345 -0.343 30 20 DBED C[C@H](C#N)C(=O)N1CCC(C)(NC(=O)[C@H]2CN(C)CCO2)CC1 956325563 YTDRLRGTOQBIQB-CHWSQXEVSA-N 322.409 -0.026 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](CNC(=O)C2CS(=O)(=O)C2)C1 958097175 UMOXZWKYQZLPJQ-ZYHUDNBSSA-N 302.396 -0.984 30 20 DBED Cn1nncc1CN1C[C@H]2[C@H](NC(=O)c3cc(C#N)c[nH]3)[C@H]2C1 958499392 CIIFRNPDJOGOQX-IMRBUKKESA-N 311.349 -0.125 30 20 DBED CC#CCN1C[C@@H](O)[C@H](CNC(=O)c2cc(C(N)=O)c[nH]2)C1 958525227 GWWGNBNQMPZWKO-DGCLKSJQSA-N 304.350 -0.841 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2ccc3oc(O)nc3n2)C1 958580982 LTGVUFIBVIFVND-GXSJLCMTSA-N 316.317 -0.416 30 20 DBED Cc1nn(C)cc1C(=O)N(C)[C@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1O 958753080 VZWNUZHJQSNQFS-XDTLVQLUSA-N 319.365 -0.468 30 20 DBED Cc1nonc1C(=O)N(C)[C@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1O 958881890 QNZRLVZPYVPNGK-JEZHCXPESA-N 307.310 -0.819 30 20 DBED C=CCN1CC[C@@H](N(C)C[C@@H]2CCCN2C(=O)C(N)=O)C1=O 960830899 NLBQSFCRWDSIRV-NWDGAFQWSA-N 308.382 -0.819 30 20 DBED C=C(Cl)CN1C[C@H]2[C@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)[C@H]2C1 961747484 VLVUJXKECYUPIW-RNWYCLNJSA-N 313.785 -0.182 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1[C@@H]2CN(CC(=O)N3CCC3)C[C@@H]12 961825093 LRXWQSYIADBUQR-SYQHCUMBSA-N 319.405 -0.144 30 20 DBED C=C(Cl)CN1C[C@H]2[C@H](NC(=O)c3nccnc3C(N)=O)[C@H]2C1 962511853 OWOZETRUSKASSX-MYJAWHEDSA-N 321.768 -0.012 30 20 DBED Cc1ccnc(C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2O)n1 962575838 GFLCWLFEQCENOD-OLZOCXBDSA-N 314.345 -0.500 30 20 DBED Cc1ncncc1C(=O)NC[C@H]1COCCN1C(=O)[C@H](C)C#N 964110604 IUKUJNJSBJORTD-PWSUYJOCSA-N 317.349 -0.098 30 20 DBED O=C(N[C@H]1COC2(C1)CN(C(=O)C#CC1CC1)C2)c1cnn[nH]1 965735537 DCFJCYTXARTLKO-LLVKDONJSA-N 315.333 -0.682 30 20 DBED CCN(C(=O)c1nnn(C)c1C)C1CN(C(=O)[C@@H](C)C#N)C1 967846935 FSXZGLXNFTWGIR-VIFPVBQESA-N 304.354 -0.044 30 20 DBED C[C@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)Cn1cnnn1)C2 969808309 YTWAZRMBYYYYIM-VWYCJHECSA-N 303.326 -0.965 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](N(C)Cc2nnnn2C)C1 972375108 ZKVAQDSLRQLAQK-UPJWGTAASA-N 320.397 -0.166 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)[C@]3(C)CCC(=O)N3)C2)C1 972538969 ANPSKODPHHHZDS-HOTGVXAUSA-N 305.378 -0.408 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)C1 972555325 YARXJADBWLAJDO-JKIFEVAISA-N 319.405 -0.176 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3CCNC3=O)C2)[nH]1 973181346 UDCHMQXMWBTNAI-DCAQKATOSA-N 315.333 -0.601 30 20 DBED Cc1nc2n(n1)C[C@H](C(=O)NC[C@H]1[C@@H]3CN(CC#N)C[C@H]13)CC2 978530073 ONTXFAMWXKXFBO-SYQHCUMBSA-N 314.393 -0.034 30 20 DBED N#CCN1C[C@H]2C(CNC(=O)c3cccn4c(O)nnc34)[C@@H]2C1 978938243 CVCZAYGKGQSXRW-RYUDHWBXSA-N 312.333 -0.134 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CCCN2C)C1 994751019 LHXPSHJFMHOKPS-LSDHHAIUSA-N 318.421 -0.495 30 20 DBED C=C(C)CN1CCC(NC(=O)Cn2cnc(C(N)=O)n2)CC1 1002862279 KCTWDWZXCHQXPM-UHFFFAOYSA-N 306.370 -0.466 30 20 DBED Cc1nc(O)nc(O)c1CC(=O)N[C@H]1CCCN(CC#N)C1 1008964440 FXGVPTFLYHGKDU-JTQLQIEISA-N 305.338 -0.157 30 20 DBED C#CCCN1CCC[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)C1 1009187103 JVWDZSSSEQZOAU-GFCCVEGCSA-N 306.366 -0.516 30 20 DBED C[C@@H]1C[C@@H](CNC(=O)c2ccc(C#N)[nH]2)CN1C(=O)C(N)=O 1010285774 UDBOXPDVXGEEHQ-BDAKNGLRSA-N 303.322 -0.662 30 20 DBED C[C@H](C#N)C(=O)N1CCC2(C1)CN(C(=O)C(C)(C)C(N)=O)C2 1019109337 DBZJVXUSDISQMN-SNVBAGLBSA-N 306.366 -0.282 30 20 DBED C#CCN1CCC(C(=O)N2CC[C@H](N[C@H](C)C(N)=O)C2)CC1 1019814141 UJTMXRKMBXUSJF-OCCSQVGLSA-N 306.410 -0.604 30 20 DBED CC#CCN1[C@H]2CC[C@H]1CC(NC(=O)CN1C(=O)CNC1=O)C2 1021454823 ZSLSJDFDIRPUES-STQMWFEESA-N 318.377 -0.327 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CN(C(=O)CC(N)=O)C[C@H]21 1022750352 ZRRBJQFGMHHEKO-LOWDOPEQSA-N 321.377 -0.488 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCCN(CC(N)=O)C1 1023424326 UJJIDXQZYFGUAP-KGLIPLIRSA-N 306.410 -0.603 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2cncn2)C1 1025727835 MMTNHYCBCXPSRV-GHMZBOCLSA-N 307.354 -0.822 30 20 DBED C#CCN(C)[C@H]1CCCN(C(=O)[C@@H]2COCCN2C(C)=O)C1 1027688709 NZAFSTCKMMLKKP-GJZGRUSLSA-N 307.394 -0.210 30 20 DBED Cn1nnnc1CN1CCC[C@@H]1CNC(=O)c1c[nH]c(C#N)c1 1027832799 JKHMKXGZHBRHDR-GFCCVEGCSA-N 314.353 -0.196 30 20 DBED COCCN1C[C@@H](C(=O)N(C)[C@H]2CCN(CC#N)C2)CC1=O 1033130362 XDGUPBNXGRLIFG-STQMWFEESA-N 308.382 -0.462 30 20 DBED CNC(=O)CN1CCO[C@@H](CNC(=O)c2ccc(C#N)[nH]2)C1 1035331452 JGLYVEJEHANINB-NSHDSACASA-N 305.338 -0.937 30 20 DBED C=CCN1CCO[C@H](CNC(=O)c2cn([C@H]3CCOC3)nn2)C1 1035573874 OJRKNELTUSWWRM-QWHCGFSZSA-N 321.381 -0.144 30 20 DBED N#CCN1CC2(CCN(C(=O)CC[C@@H]3NC(=O)NC3=O)CC2)C1 1035850291 WLXTVIHNRKXZBP-NSHDSACASA-N 319.365 -0.577 30 20 DBED C#CCN[C@@H]1CCN(C(=O)CCc2nnc(O)nc2O)C[C@H]1C 1036101260 ZVNXPHDFIWAYRZ-GHMZBOCLSA-N 319.365 -0.325 30 20 DBED C#CCCN1CC[C@@H]2CN(C(=O)Cn3ncn(C)c3=O)CC[C@@H]21 1036754060 ZTGUJSOFHDBHBQ-KGLIPLIRSA-N 317.393 -0.472 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@@](O)(CNC(=O)C#CC(C)C)C1 1039667578 FQUMDEUVEZCGSM-WMLDXEAASA-N 320.389 -0.236 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC[C@@](O)(CNC(=O)C#CC2CC2)C1 1039681364 ZPUAAVRBTZTOQI-IAGOWNOFSA-N 320.389 -0.194 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@]1(O)CCN(C(=O)C2CCC2)C1 1039720774 DVLAGAKOHJPGMG-MLGOLLRUSA-N 308.378 -0.096 30 20 DBED CC(C)C#CC(=O)N1CC[C@](O)(CNC(=O)c2csnn2)C1 1040374732 OSDFQDNCAQLVLI-AWEZNQCLSA-N 322.390 -0.109 30 20 DBED C[C@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)c2ccnn2C)C1 1040762641 KVFRQFUJAADEEF-YGRLFVJLSA-N 305.338 -0.727 30 20 DBED CCn1cc(C(=O)N2CC[C@](O)(CNC(=O)[C@@H](C)C#N)C2)cn1 1040763136 NWKOTVKOIZVNFK-NHYWBVRUSA-N 319.365 -0.244 30 20 DBED CCn1nccc1C(=O)N1CC[C@@](O)(CNC(=O)[C@H](C)C#N)C1 1040764762 YSZJONLLVYIAPK-IAQYHMDHSA-N 319.365 -0.244 30 20 DBED C=C(C)CCC(=O)N1CC(O)(CNC(=O)c2cc[n+]([O-])cc2)C1 1041329337 CUQDWVGARYWZTR-UHFFFAOYSA-N 319.361 -0.021 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(O)(CNC(=O)[C@@H]2CCCO2)C1 1041351293 YKSBBNNYIZMWKV-FZMZJTMJSA-N 312.366 -0.818 30 20 DBED N#CCSCC(=O)NCC1(O)CN(C(=O)c2cocn2)C1 1041569341 UGBJLKKVYRQPOG-UHFFFAOYSA-N 310.335 -0.766 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)c2c(C)ncnc2O)C1 1041972986 MZRRUABPISYZIM-UHFFFAOYSA-N 320.349 -0.240 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)Cc2cnc(C)o2)C1 1042052920 WGBIQVSVZXWCNC-UHFFFAOYSA-N 323.349 -0.582 30 20 DBED CC#CCN1CC[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)C[C@@H]21 1042345213 JPYPXZKOTIYBQE-OLZOCXBDSA-N 318.377 -0.516 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)c2cnn(CC)n2)C1 1042902017 BWRMEFUROMFLCO-UHFFFAOYSA-N 319.365 -0.595 30 20 DBED C[C@@H]1CN(C(=O)Cc2nc[nH]n2)C[C@H]1Nc1ccc(C#N)nn1 1043324002 KPDFSFCRWYZCGW-MWLCHTKSSA-N 312.337 -0.032 30 20 DBED C[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1Nc1nccnc1C#N 1043338265 QXYRZSMENROZPI-MWLCHTKSSA-N 313.325 -0.706 30 20 DBED C=C(C)[C@H](CC(=O)NCC1(O)CN(C(=O)COC)C1)OCC 1043339425 TZSQDRRDSXPWLR-LBPRGKRZSA-N 314.382 -0.306 30 20 DBED C[C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1Nc1nccnc1C#N 1043344479 ZXVSKIAPXJEDHI-ZYHUDNBSSA-N 312.337 -0.101 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CN(c3nccnc3F)C[C@@H]2O)c[nH]1 1043882474 YBHGIBHOBSWKPJ-MNOVXSKESA-N 316.296 -0.205 30 20 DBED Cn1cnc(C(=O)N[C@@H]2CN(c3ccc(C#N)nc3)C[C@@H]2O)c1 1043911205 OJLHMNLOGJXUOE-OCCSQVGLSA-N 312.333 -0.334 30 20 DBED N#Cc1cccnc1N1C[C@H](O)[C@H](NC(=O)Cc2cnoc2)C1 1044410076 DBFCAFWVPBHJMO-OLZOCXBDSA-N 313.317 -0.150 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@@H]3C[C@@H]3C2)C1 1045085929 JLOKTLHCJAAPQR-IGQOVBAYSA-N 320.389 -0.240 30 20 DBED C=CCCCC(=O)NCC1(O)CN(C(=O)Cc2cnc[nH]2)C1 1045459026 RIPCKLOXUWTCCK-UHFFFAOYSA-N 306.366 -0.002 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)[C@H](C)n2cccc2)C1 1045540944 NFDAZNJQAWJSQI-RYUDHWBXSA-N 304.350 -0.102 30 20 DBED COc1cc(C(=O)N2CC(O)(CNC(=O)[C@H](C)C#N)C2)on1 1045541584 YDCGXVJYTQHOII-MRVPVSSYSA-N 308.294 -0.854 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)[C@H]2OCC[C@H]2C)C1 1046788651 UPBDWASTCGAJBY-UPJWGTAASA-N 324.377 -0.861 30 20 DBED C#CCCCC(=O)N(C)[C@H]1CN(C(=O)[C@@H](C)OCC#C)C[C@@H]1O 1048754522 UEXAPXGAJDEIIB-ILXRZTDVSA-N 320.389 -0.142 30 20 DBED CCn1ccc(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)C#N)C2)n1 1049401152 BWXDPBSHZDJJCV-DRZSPHRISA-N 319.365 -0.294 30 20 DBED N#CCN1CCOC[C@@H]1CNC(=O)[C@@H]1CCCCS1(=O)=O 1050953632 IYQDXAVRLAAHMY-RYUDHWBXSA-N 315.395 -0.706 30 20 DBED C#CCCN1CCOC[C@@H]1CNC(=O)[C@H]1C[C@H]1C(=O)N(C)C 1051117911 KHYNOAKYHKTSPY-MELADBBJSA-N 307.394 -0.449 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2COCCN2C[C@H](C)OC)nn1 1051155903 MEQVQFNLNVIRCJ-STQMWFEESA-N 323.397 -0.070 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)c1cc(C(N)=O)ccn1 1051274358 WPEVKFUHECYKSW-GFCCVEGCSA-N 302.334 -0.756 30 20 DBED N#Cc1cnccc1N1CC[C@@H](NC(=O)c2nc[nH]n2)[C@@H](O)C1 1051710792 DDQFBRFXWPXHAG-PWSUYJOCSA-N 313.321 -0.559 30 20 DBED C=CCN1CCN([C@H]2CCN(C(=O)C(C)(C)C(N)=O)C2)CC1 1052040681 DXRCALAJTDSBBU-ZDUSSCGKSA-N 308.426 -0.098 30 20 DBED CN1CC[C@@H](C(=O)N[C@H]2CCCN(CC#N)CC2)S1(=O)=O 1052785665 KATUCDOEUHELJR-RYUDHWBXSA-N 314.411 -0.485 30 20 DBED C#CCN1CCC[C@H](NC(=O)CN2CCC(=O)NC2=O)CC1 1052845217 VPNYJAMPSKZEQX-LBPRGKRZSA-N 306.366 -0.468 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2COC3(C2)CN(CC(N)=O)C3)cc1 1053889391 INRVOZGOVOFIDC-CQSZACIVSA-N 313.357 -0.274 30 20 DBED C=C[C@](C)(CC)C(=O)NCCN1CCC(NC(=O)C(N)=O)CC1 1055636572 VZFLXTFJAMRSRO-MRXNPFEDSA-N 324.425 -0.229 30 20 DBED COC(=O)[C@H]1C[C@@H]1C(=O)N1CCN(c2nccnc2C#N)CC1 1055735082 JAZWZXKILGWNKV-QWRGUYRKSA-N 315.333 -0.194 30 20 DBED Cc1cc(C(=O)N[C@]2(CO)CCCN(C(=O)[C@H](C)C#N)C2)n[nH]1 1055803544 CZWLUVQXRWUQQC-MEBBXXQBSA-N 319.365 -0.039 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@](CO)(NC(=O)c2cn(C)cn2)C1 1055882409 FQCLGPHPWMZVFL-IAQYHMDHSA-N 319.365 -0.337 30 20 DBED N#Cc1nccnc1NC1CC2(CC(NC(=O)C(N)=O)C2)C1 1056535099 AFIFHIHODFNYCK-UHFFFAOYSA-N 300.322 -0.327 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)C[C@H]1CCN(C)C1 1058157798 IBSZGCDWPBMSGS-OAHLLOKOSA-N 323.437 -0.075 30 20 DBED CC(=O)N1CC(C(=O)N[C@H]2CCN(c3nccnc3C#N)C2)C1 1058335981 KDZYXWJNHYWIKA-LBPRGKRZSA-N 314.349 -0.479 30 20 DBED Cn1ncc(C(=O)N2[C@H]3CC[C@H]2CN(c2cncc(C#N)n2)C3)n1 1058765919 VHNXJDFKEHFSCP-RYUDHWBXSA-N 324.348 -0.030 30 20 DBED N#Cc1nccnc1N[C@H]1C[C@H](NC(=O)[C@@H]2CCNC(=O)C2)C1 1059184923 WJPFYRNSZJPDKY-GMTAPVOTSA-N 314.349 -0.066 30 20 DBED CN1C(=O)CC[C@H]1C(=O)N[C@H]1C[C@H](N=c2cc[nH]c(C#N)n2)C1 1059375645 IJKNNTAFFXVPOL-DCAQKATOSA-N 314.349 -0.550 30 20 DBED CCn1nncc1C(=O)N[C@H]1C[C@@H](N=c2cc[nH]c(C#N)n2)C1 1059629105 ZGGSFBQVFNWIRP-AOOOYVTPSA-N 312.337 -0.246 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCOC[C@H]1CNC(=O)COCC 1061242192 MBMYOPHEYANGSP-DOMZBBRYSA-N 314.382 -0.306 30 20 DBED C=CC(C)(C)C(=O)NC[C@@H]1COCCN1C(=O)c1cnn[nH]1 1061755736 QIIRUCCLVMIPTC-SNVBAGLBSA-N 307.354 -0.026 30 20 DBED C#CCCCC(=O)N1CCCC[C@@H]1CNC(=O)Cn1ncnn1 1062166140 KGTZVSWEUZYRBE-CYBMUJFWSA-N 318.381 -0.026 30 20 DBED C=CCO[C@H](C)C(=O)N1CCCC[C@@H]1CNC(=O)CC(N)=O 1062258428 VOGZOTZYMUHFKM-VXGBXAGGSA-N 311.382 -0.050 30 20 DBED Cc1cc(N2C[C@@H]3C[C@H]2CN3C(=O)Cn2cnnn2)c(C#N)cn1 1062447651 JVRRFIYNFVUKMA-STQMWFEESA-N 324.348 -0.262 30 20 DBED CN(C(=O)[C@@H]1COC(=O)N1)[C@H]1CCN(c2ccc(C#N)nn2)C1 1062927940 BLJANWUJXQNVCM-QWRGUYRKSA-N 316.321 -0.506 30 20 DBED N#Cc1ccc(NC[C@H]2CCCC[C@H]2NC(=O)C(N)=O)nn1 1064189843 UPJHSRYQNGUNFH-MWLCHTKSSA-N 302.338 -0.080 30 20 DBED C#Cc1cncc(C(=O)NCC2(NC(=O)CC(N)=O)CCC2)c1 1064462055 NOGAEIWNFZQCCK-UHFFFAOYSA-N 314.345 -0.293 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCC1(NC(=O)CNC(N)=O)CCC1 1064581765 BJBOPOBZQOBKFX-MNOVXSKESA-N 324.381 -0.599 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CN(C(=O)c2cnccn2)CCO1 1064789346 FYSFFKKRSGDSEV-QWRGUYRKSA-N 303.322 -0.407 30 20 DBED COCCOCC(=O)N1CCO[C@@H](CNC(=O)[C@@H](C)C#N)C1 1064985299 HHSHNAAKDVGTSJ-RYUDHWBXSA-N 313.354 -0.847 30 20 DBED C=CC(C)(C)C(=O)NC[C@H]1CN(C(=O)[C@@H]2CCC(=O)N2)CCO1 1065401387 LRFCBUWQOACCBX-RYUDHWBXSA-N 323.393 -0.179 30 20 DBED C=CCOCC(=O)N[C@H]1CCCN(C(=O)Cn2nccn2)CC1 1065986959 JMPCWTSTJAMPCP-ZDUSSCGKSA-N 321.381 -0.022 30 20 DBED C[C@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1Nc1cncc(C#N)n1 1067189087 IBAQHJXCYAMSPS-GXSJLCMTSA-N 314.349 -0.127 30 20 DBED N#Cc1ccc(NC[C@H]2C[C@H](NC(=O)[C@@H]3COC(=O)N3)C2)nn1 1068481494 OYWBNNFQJXKNQM-LSJOCFKGSA-N 316.321 -0.237 30 20 DBED C=CCCC(=O)N[C@H]1COC2(C1)CN(C(=O)Cn1cnnn1)C2 1068746991 FLTJEDBJPGKWPT-LLVKDONJSA-N 320.353 -0.875 30 20 DBED CC(=O)N(C)CC(=O)N1CC2(C[C@H](NC(=O)[C@H](C)C#N)CO2)C1 1069002634 GWAYQCZZRGMUIZ-PWSUYJOCSA-N 322.365 -0.890 30 20 DBED C=CCOCC(=O)NCC1(NC(=O)COC)CCOCC1 1069944086 WLODUMXEVMPATR-UHFFFAOYSA-N 300.355 -0.383 30 20 DBED N#CCN[C@@H]1CN(C(=O)[C@@]23COC[C@@H]2C3)C[C@@H]1n1ccnn1 1070199052 DNROAMIAHTXOMD-OPDFLTKYSA-N 302.338 -0.820 30 20 DBED Cc1ccnc(C(=O)N2CCC(=O)NCCN(CC#N)CC2)n1 1070959629 ATBVNHKZXAPEFO-UHFFFAOYSA-N 316.365 -0.427 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)CN2CCC[C@H]2C)CC1 1070998751 QZBCSMWORFMKEG-OAHLLOKOSA-N 320.437 -0.246 30 20 DBED C#CCN1CC[C@@]2(C1)CN(C(=O)c1cnn(C)c1N)C[C@@H](C)O2 1071160067 WUSDHHLGEIBYCH-MLGOLLRUSA-N 317.393 -0.059 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(C(=O)c2ncc[nH]2)C[C@H]1C 1072025315 QSTRXSCJZGNOOF-GHMZBOCLSA-N 317.349 -0.874 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](NC(=O)CN2CCOCC2)[C@H](C)C1 1072035005 GIYDSVXXZYEGAM-HUUCEWRRSA-N 321.421 -0.059 30 20 DBED CN(C)c1cnc(C(=O)NC[C@@H]2CN(CC#N)CCCO2)cn1 1073603839 QAJWRUHHVDXKOJ-GFCCVEGCSA-N 318.381 -0.113 30 20 DBED CC(=O)N1CCC[C@H](C(=O)NC[C@H]2CN(CC#N)CCCO2)C1 1073684674 XJAAWCBSALQVKA-GJZGRUSLSA-N 322.409 -0.024 30 20 DBED C=CCN1CCO[C@@H]2CCN(C(=O)c3ccc(=O)n(C)n3)C[C@H]21 1074399464 FJOXCCJUHUWJJR-ZIAGYGMSSA-N 318.377 -0.118 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)Cn2ccc(C)cc2=O)C1 1077759111 JSSKBHHVGREYTE-ZIAGYGMSSA-N 305.378 -0.106 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2ccc3oc(O)nc3n2)C1 1077998013 BIGZRBQDRFOYJR-RKDXNWHRSA-N 303.278 -0.773 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(N(CC)C(=O)CCCC(N)=O)C1 1080030354 DDBZFFFSRWVWJL-GFCCVEGCSA-N 323.393 -0.260 30 20 DBED Cc1c[nH]nc1C(=O)NC1(CO)CCN(C(=O)[C@H](C)C#N)CC1 1080851927 IXRIZHHLERGMSP-SNVBAGLBSA-N 319.365 -0.039 30 20 DBED C=CCCN1C[C@@H](NC(=O)c2cn(CC(N)=O)nn2)[C@H](C)C1 1081000025 UBCKGJSBBXPKSQ-GHMZBOCLSA-N 306.370 -0.610 30 20 DBED CC(C)C#CC(=O)N1C[C@H](CNC(=O)c2cnn(C)c2)[C@@H](O)C1 1081248363 OVMPKDIDLNTTNY-JSGCOSHPSA-N 318.377 -0.371 30 20 DBED C=CC(C)(C)C(=O)NC[C@H]1CN(C(=O)c2cnnn2C)C[C@@H]1O 1081640039 HTVLWHXXPWMWAZ-JQWIXIFHSA-N 321.381 -0.424 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2ncccn2)C1 1081688523 SYSVGQXJWPPYCN-CHWSQXEVSA-N 316.361 -0.315 30 20 DBED C=CCCCC(=O)NC[C@@H]1CN(C(=O)c2cnn[nH]2)C[C@H]1O 1081703158 MNSRZYPMOUBRDB-ZYHUDNBSSA-N 307.354 -0.290 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(CC(=O)NC)C[C@H]2OC)nc1 1082331491 QGNHQVHTHJJSOY-ZIAGYGMSSA-N 316.361 -0.762 30 20 DBED C=CCN1C[C@@H](NC(=O)c2ccc(C(N)=O)cn2)[C@H](OC)C1 1082393786 CDVJODQOKQFTMS-CHWSQXEVSA-N 304.350 -0.205 30 20 DBED C[C@@H]1CCCN(C(=O)C(=O)N2CCO[C@@H]3CN(CC#N)C[C@@H]32)C1 1083216048 FUGGZMIHQCEIKI-HZSPNIEDSA-N 320.393 -0.320 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CCc1cnccn1 1083241046 KSEAWZIAFVEMDY-UONOGXRCSA-N 301.350 -0.156 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CCc2nncn2C1 1083283405 YYTNPEXADLTTFH-HZSPNIEDSA-N 315.377 -0.615 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCCN2C(=O)C2CC2)C1 1083839427 YHBXNPGWQHWDHD-AGIUHOORSA-N 306.366 -0.928 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2Cc3cccc(F)c3O2)C1 1084073008 DYOCHBPWAGVEJD-AGIUHOORSA-N 305.309 -0.186 30 20 DBED Cc1nc(C(=O)NC[C@H]2C[C@@H](NCC#N)C2)nn1-c1nc[nH]n1 1086163136 ZKLUYIWDJCMEDR-AOOOYVTPSA-N 315.341 -0.685 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1c1cnn(C)c1 1086977165 GTWLGRVHVPUVRS-QWHCGFSZSA-N 313.365 -0.620 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2cnc3n2CCOC3)[C@H](O)C1 1090337055 NZRIJPQUXODDHT-TZMCWYRMSA-N 318.377 -0.398 30 20 DBED CN(C)c1ccncc1C(=O)N[C@H]1CCN(CC#N)C[C@@H]1O 1090733907 IHBGPTNLWLOLLN-JSGCOSHPSA-N 303.366 -0.164 30 20 DBED CC#CCN1CC[C@H](NC(=O)Cn2c(C)csc2=O)[C@@H](O)C1 1090795927 MKICYXKTVPMVPA-STQMWFEESA-N 323.418 -0.207 30 20 DBED C=CCCN1CC[C@H](NC(=O)c2c[nH]c(C(N)=O)c2)[C@H](O)C1 1090813930 YNLIYDHZMRRLLP-WCQYABFASA-N 306.366 -0.145 30 20 DBED Cn1nnc2cccc(C(=O)N[C@@H]3CCN(CC#N)C[C@H]3O)c21 1090857757 LSBZYHSBURYLKP-DGCLKSJQSA-N 314.349 -0.343 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CN(c2nccnc2F)C[C@@H]1O 1091118342 IWJIPUNHXZZFPP-AXFHLTTASA-N 310.329 -0.128 30 20 DBED COC[C@@H](OC)C(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@@H]1O 1091177173 FADFMLGIFYCWSJ-FRRDWIJNSA-N 320.349 -0.720 30 20 DBED CS(=O)(=O)CC(=O)NC[C@H]1C[C@@H](N=c2cc[nH]c(C#N)n2)C1 1091317951 HGAQPVCTTVAADY-AOOOYVTPSA-N 323.378 -0.879 30 20 DBED N#CCN1CC(n2cc(CNC(=O)C3CCC(O)CC3)nn2)C1 1094286502 DLFXGFQLECHNMZ-UHFFFAOYSA-N 318.381 -0.174 30 20 DBED C#CCN1CC(n2cc(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])nn2)C1 1094291638 RMPNQQUJODLSFT-VXGBXAGGSA-N 304.310 -0.951 30 20 DBED N#Cc1nccnc1NCCCNC(=O)[C@H]1CCS(=O)(=O)C1 1094661928 PJPLRDJFYZCAGR-JTQLQIEISA-N 323.378 -0.299 30 20 DBED N#CCN1CC(N2C[C@@H](NC(=O)c3cnsn3)CC2=O)C1 1094706387 ATPPQUGBNVKMNS-QMMMGPOBSA-N 306.351 -0.923 30 20 DBED CN1CC[C@H](C(=O)NCCCN=c2cc[nH]c(C#N)n2)CC1=O 1094879847 LDBLUOYDJMMGPD-NSHDSACASA-N 316.365 -0.443 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H](C)N1C(=O)CCC1=O 1095495500 RQOXXSDGRDYCTE-NDBYEHHHSA-N 303.362 -0.121 30 20 DBED C[C@H](CC(=O)NCCCN(C)c1cnc(C#N)cn1)NC(N)=O 1095640370 NAQMRBAEFGMRLE-SNVBAGLBSA-N 319.369 -0.262 30 20 DBED CCN(CCCNC(=O)CNC(C)=O)c1nccnc1C#N 1095817775 XCUYQGPINXTOFU-UHFFFAOYSA-N 304.354 -0.183 30 20 DBED CNC(=O)NCC(=O)N1CC[C@H](Nc2cnc(C#N)cn2)C1 1096979628 AGLHREKOJPGKOG-VIFPVBQESA-N 303.326 -0.710 30 20 DBED CCNC(=O)CC(=O)N[C@H]1C[C@@H](Nc2nccnc2C#N)C1 1097175840 GIEJLYAUFQXPQB-AOOOYVTPSA-N 302.338 -0.066 30 20 DBED C[C@@H](NC(=O)CC(N)=O)[C@@H]1CCCN(c2cncc(C#N)n2)C1 1097516744 UYYWSNAPIJPNAV-GHMZBOCLSA-N 316.365 -0.055 30 20 DBED C[C@H](CNC(=O)c1cnn(C)c1N)Nc1cnc(C#N)cn1 1097762408 KAHYLGNPUFOJKF-MRVPVSSYSA-N 300.326 -0.106 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCS(=O)(=O)C1)Nc1nccnc1C#N 1098136534 IJWUNZAACXAVBR-UWVGGRQHSA-N 323.378 -0.300 30 20 DBED C[C@@H](CC(=O)N1CCC(N(CC#N)CCO)CC1)NC(N)=O 1098368887 LLIDRIBRPNTXEV-NSHDSACASA-N 311.386 -0.758 30 20 DBED N#CCN1C[C@@H](NC(=O)CCNC(N)=O)CC2(CCOCC2)C1 1099597555 XQOZZSUEJDTWOR-LBPRGKRZSA-N 323.397 -0.444 30 20 DBED C=C(C)CCC(=O)N[C@@H]1CCN(CCS(C)(=O)=O)C[C@@H]1O 1099856317 VJZRHZNHZHVWDE-OLZOCXBDSA-N 318.439 -0.061 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)c2c[nH]nc2C)[C@H](O)C1 1099938513 XCWSQTSWQFFEHV-QWHCGFSZSA-N 321.381 -0.815 30 20 DBED CC#CCCCC(=O)N[C@@H]1CCN(CCOCCO)C[C@H]1O 1099961776 CJTHYSOQIZQTNG-HUUCEWRRSA-N 312.410 -0.260 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2ccncn2)[C@@H](O)C1 1100039791 VVSQSSFNVKNZJF-OCCSQVGLSA-N 304.350 -0.709 30 20 DBED CC#CCN1CC[C@H](NC(=O)CCn2cnccc2=O)[C@@H](O)C1 1100051090 SBGNNVACVXBPCM-KBPBESRZSA-N 318.377 -0.792 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)N[C@@H]1CCN(CC)C[C@H]1O 1100129811 SJINDHPCASQADY-VXGBXAGGSA-N 312.414 -0.179 30 20 DBED CN(CCNC(=O)[C@@H]1CCCS1(=O)=O)c1ccnc(C#N)n1 1100135141 JAPSEIPSTWAYPX-JTQLQIEISA-N 323.378 -0.522 30 20 DBED C#CCN1CC[C@H](NC(=O)CCNC(=O)CC(C)C)[C@@H](O)C1 1100143372 SJSNPNIKMPUWPY-KBPBESRZSA-N 309.410 -0.277 30 20 DBED CN(CCNC(=O)[C@@]1(C)CCC(=O)NC1)c1cnc(C#N)cn1 1100286335 STVWIMIUQFXTRG-HNNXBMFYSA-N 316.365 -0.183 30 20 DBED CC[C@@H]1CCO[C@@H]1C(=O)NCC1CC(NCC(=O)NCC#N)C1 1100420409 GPZYKXYWKOARLL-CTBQFLBTSA-N 322.409 -0.074 30 20 DBED CCN(CCNC(=O)[C@@H]1COCCN1C)c1cnc(C#N)cn1 1100491538 HLJNIQSWQHSRGY-ZDUSSCGKSA-N 318.381 -0.379 30 20 DBED CCN(CCNC(=O)[C@H]1CNC(=O)N1)c1nc(C)cc(C#N)n1 1100698816 MUXUUVLQEOIJKX-LLVKDONJSA-N 317.353 -0.719 30 20 DBED C=C(C)CN1CC2(C[C@H](NC(=O)CC(N)=O)c3nccn32)C1 1101618915 JUDAKLPPVSHCTR-NSHDSACASA-N 303.366 -0.094 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)C3(C(N)=O)CC3)c3nccn32)C1 1101641073 ITKHDUDHNKHZNK-SNVBAGLBSA-N 314.349 -0.756 30 20 DBED CC[C@@H](CNC(=O)C(C)(C)C(N)=O)N=c1cc[nH]c(C#N)n1 1103212172 GXDBFJKFAAVNPN-VIFPVBQESA-N 304.354 -0.412 30 20 DBED COCC#CCN1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[C@H]2C(N)=O)C1 1103439456 BIFVOXSCVJDKJE-TUVASFSCSA-N 321.421 -0.168 30 20 DBED C[C@@H](CNC(=O)Cn1cnnn1)CNc1ncc(C#N)cc1F 1103853545 IEGZZOKVIMZHKD-VIFPVBQESA-N 318.316 -0.057 30 20 DBED C=CCNC(=O)CNCC[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1C 1104019740 MMLYBNDKUWYRLX-VXGBXAGGSA-N 310.398 -0.762 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)[C@H]1CCCC(=O)N1 1104113079 GFPVXFMSSMFVEX-GHMZBOCLSA-N 316.365 -0.397 30 20 DBED CNC(=O)CNC[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C 1106025306 RSBWMBROAVTKNR-ZYHUDNBSSA-N 303.366 -0.070 30 20 DBED C[C@@H](CC(N)=O)C(=O)NC[C@@H](O)CNc1ncc(C#N)cc1F 1106060187 PLSULHRFGLWIIK-WPRPVWTQSA-N 323.328 -0.507 30 20 DBED C[C@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)c1nccnc1N 1106246914 UPNRXWJLKJXWMY-SECBINFHSA-N 312.337 -0.237 30 20 DBED C[C@@H](CCNc1nccnc1C#N)NC(=O)C1(C(N)=O)CC1 1106549648 GJYIUYPNNVTKSK-VIFPVBQESA-N 302.338 -0.080 30 20 DBED CC[C@@H](C(=O)N1C[C@@H](C)[C@H](CNCC(=O)NCC#N)C1)N(C)C 1106673155 FPDNEEOTLYRORZ-MCIONIFRSA-N 323.441 -0.350 30 20 DBED CC(=O)N[C@@H](C)C(=O)NC/C=C/CNc1ccc(C#N)nn1 1107021700 XYZCZNNWRKYZRQ-FSIBCCDJSA-N 302.338 -0.043 30 20 DBED CCNC(=O)CC(=O)NC/C=C/CNc1cncc(C#N)n1 1107131620 VWTKYTLEWKLUJT-ONEGZZNKSA-N 302.338 -0.041 30 20 DBED C[C@H]1CCCN1CC(=O)NCc1cn(C2CN(CC#N)C2)nn1 1107209338 NMIORKDBQSQQSR-LBPRGKRZSA-N 317.397 -0.241 30 20 DBED C#CCNC(=O)CN1CCO[C@](C)(CNC(=O)[C@@H]2CC2(C)C)C1 1107877004 OROMTYREYLRVMZ-SUMWQHHRSA-N 321.421 -0.011 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)CCc3ncc[nH]3)CC2=O)C1 1108539072 UYDJTZTXWOEKBE-LBPRGKRZSA-N 317.393 -0.070 30 20 DBED C[C@@H](CN(C)c1ncccc1C#N)NC(=O)Cn1cnnn1 1108850872 RPYWUHDHXPFIET-JTQLQIEISA-N 300.326 -0.419 30 20 DBED CN(CCCNc1cncc(C#N)n1)C(=O)[C@H]1C[C@H]1C(N)=O 1109624561 RMSIYCSHMGEWTO-MNOVXSKESA-N 302.338 -0.270 30 20 DBED N#Cc1nccnc1NC1(CNC(=O)CN2CCOCC2)CC1 1110096800 GERUSAFNSRZXPJ-UHFFFAOYSA-N 316.365 -0.259 30 20 DBED C[C@H](CC(=O)NCC1(Nc2cncc(C#N)n2)CC1)NC(N)=O 1110237228 GJFDXIYQRHDDFD-SECBINFHSA-N 317.353 -0.144 30 20 DBED C[C@H](CC(N)=O)C(=O)NCC1(Nc2cncc(C#N)n2)CC1 1110298318 NPAAYECLXQPNAX-SECBINFHSA-N 302.338 -0.080 30 20 DBED C[C@]1(C(=O)NCC2(N=c3cc[nH]cc3C#N)CC2)CCNC1=O 1110344671 RFJZWRGMKAGKCC-HNNXBMFYSA-N 313.361 -0.038 30 20 DBED CO[C@@H](C)C(=O)NC[C@H]1COCCN1c1cncc(C#N)n1 1111658053 VOKPOUCIHVSNRD-JQWIXIFHSA-N 305.338 -0.295 30 20 DBED N#Cc1ccc(NCC2(NC(=O)CC(N)=O)CCOCC2)cn1 1112245084 AFVWTABVLZGSCF-UHFFFAOYSA-N 317.349 -0.094 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)[C@@H](C)NC(C)=O)CC1 1112603063 HACPYXGVHHPAIX-NEPJUHHUSA-N 310.398 -0.654 30 20 DBED CC(C)OCC(=O)NC[C@@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1112708870 ATPSSIAKDMNEKC-YPMHNXCESA-N 319.365 -0.313 30 20 DBED C=CCN1CC[C@H](N2CCN(C(=O)CNC(=O)CC)CC2)C1=O 1112719762 SFETZMAQOLDZQE-ZDUSSCGKSA-N 322.409 -0.556 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)c3cc(C)on3)[C@@H]2C1 1113820223 VMNCARWGYZDIMY-GHMZBOCLSA-N 304.350 -0.055 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)COC(C)C)[C@@H]2C1 1113992772 NJAMOKOMVCLECT-YNEHKIRRSA-N 307.394 -0.404 30 20 DBED C[C@@H]1CCN(c2cnc(C#N)cn2)C[C@@H]1NC(=O)CC(N)=O 1114007011 BXDYIZRKSCDMIE-KOLCDFICSA-N 302.338 -0.445 30 20 DBED Cc1cc(C(=O)N[C@H]2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]32)cnn1 1114176456 UQVQKKUJXFNRST-IMRBUKKESA-N 314.349 -0.915 30 20 DBED N#CCNC(=O)CN1C[C@H]2C(NC(=O)[C@H]3CCCOCC3)[C@@H]2C1 1114189761 VYMGZEFGWSADFV-YNEHKIRRSA-N 320.393 -0.511 30 20 DBED N#CCNC(=O)CN1C[C@H]2C(NC(=O)C3C=CC=CC=C3)[C@@H]2C1 1114343156 JGAROZJBTZZQGA-ZIAGYGMSSA-N 312.373 -0.029 30 20 DBED C=CCn1cc(C(=O)NC2[C@@H]3CN(CC#CCOC)C[C@@H]23)nn1 1114941956 HPCDYCLIZDLDAU-CHWSQXEVSA-N 315.377 -0.226 30 20 DBED CCOC(CCNC(=O)C(=O)N1CCO[C@H](C#N)C1)OCC 1116998319 APOBPUPWAMBJTE-LLVKDONJSA-N 313.354 -0.357 30 20 DBED CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)CCCC#N 1117691557 LDSZEHXNABIOLX-JTQLQIEISA-N 301.368 -0.558 30 20 DBED Cn1nnc2c(=O)n(CC(=O)N[C@](C)(C#N)C3CC3)cnc21 1118171925 JSLHVUWBKBBXRF-CYBMUJFWSA-N 301.310 -0.667 30 20 DBED C#CCOCCNC(=O)C(=O)N[C@H](C)CN1CCC(C)CC1 1118622018 QHBJGPDLXISNPD-CQSZACIVSA-N 309.410 -0.011 30 20 DBED CC#CCCNC(=O)C(=O)NC[C@H]1CC2(CCNCC2)CO1 1119370543 LVPHQINHBKJPPD-CYBMUJFWSA-N 307.394 -0.209 30 20 DBED C[C@@H](CN(C)C(=O)[C@@H]1CN(C)C(=O)N1)Nc1cncc(C#N)n1 1120408455 MTEDTNKCNLOMEM-ONGXEEELSA-N 317.353 -0.369 30 20 DBED Cn1ccc(CC(=O)NC[C@@H](CO)Nc2ccc(C#N)cn2)n1 1121480597 MDQWVEDUKSCWMX-ZDUSSCGKSA-N 314.349 -0.182 30 20 DBED Cc1c[nH]nc1C(=O)NC[C@H](CO)Nc1ccc(C#N)nn1 1121528999 SAZWXCLSLULQMD-SNVBAGLBSA-N 301.310 -0.417 30 20 DBED C#CCOCCC(=O)NC[C@@H](CO)Nc1cnc(C#N)cn1 1122028128 LJVJUVXAHZXCAO-LBPRGKRZSA-N 303.322 -0.723 30 20 DBED Cc1c[nH]c(C(=O)NC[C@@H](CO)Nc2cncc(C#N)n2)n1 1122687042 HGXNXZPYTWDVEG-JTQLQIEISA-N 301.310 -0.417 30 20 DBED CNC(=O)CC(=O)N1CC[C@@H](N=c2cc[nH]c(C#N)n2)[C@@H]1C 1122972502 VUWCGPGDZYRFFE-VHSXEESVSA-N 302.338 -0.692 30 20 DBED CN(C[C@H](O)CNc1ccc(C#N)cn1)C(=O)C1(C(N)=O)CC1 1124703739 FLSRSMUPSNSMIS-LLVKDONJSA-N 317.349 -0.550 30 20 DBED C[C@@H](C#N)C(=O)NCCN[C@H]1CCN(c2ccn(C)n2)C1=O 1124902928 NTQVTZNGMJBUJJ-QWRGUYRKSA-N 304.354 -0.609 30 20 DBED CO[C@@H](C)C(=O)N(C)C[C@H](O)CN(C)c1cnc(C#N)cn1 1124956118 AVMZICNWLHKOSN-CMPLNLGQSA-N 307.354 -0.361 30 20 DBED C=CCOCCCC(=O)NCCNC[C@H](O)COCCOC 1125252696 JUDZPVGWYRUUJJ-AWEZNQCLSA-N 318.414 -0.301 30 20 DBED C#CCNC(=O)CNCCNC(=O)CCOCC(F)(F)F 1130679979 RDTLIZJCWSZZGN-UHFFFAOYSA-N 309.288 -0.589 30 20 DBED C=CCCC(=O)N1CCC(=O)NCCN([C@@H](C)C(=O)NC)CC1 1131336668 DMKPOWCCUKLBKJ-ZDUSSCGKSA-N 324.425 -0.262 30 20 DBED C=CCOCCN1CCNC(=O)CCN(C(=O)[C@@H](C)C#N)CC1 1131339849 SWUOXNGXVLJACC-AWEZNQCLSA-N 322.409 -0.001 30 20 DBED C#CCN[C@@H]1CCO[C@H]1C1CCN(C(=O)CCNC(N)=O)CC1 1131601927 LURFUQDAULETSJ-HIFRSBDPSA-N 322.409 -0.336 30 20 DBED C#CCNC(=O)CNCCNC(=O)CCCn1ccccc1=O 1132369938 FXKMQOGQOMUOHQ-UHFFFAOYSA-N 318.377 -0.916 30 20 DBED C[C@@H]1CCN(C(=O)Cn2ccc(O)nc2=O)C[C@@H]1CNCC#N 1132960444 UWKKWXFTEXKUNI-NEPJUHHUSA-N 319.365 -0.453 30 20 DBED C=CCNC[C@H]1CN(C(=O)CN2C(=O)CNC2=O)CC[C@H]1C 1133307171 VNUGODNKIRFXHI-NEPJUHHUSA-N 308.382 -0.202 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)CN(C)C(C)=O 1133741416 NPPBSARFLJTXJX-VXGBXAGGSA-N 310.398 -0.913 30 20 DBED CCc1ccc(CC(=O)NCCNCC(=O)NCC#N)nc1 1134079966 JHCYKKXFIVDKAH-UHFFFAOYSA-N 303.366 -0.468 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)Cc1nnc(C)o1 1134299339 QZBRMHIWCRPGON-GHMZBOCLSA-N 321.381 -0.457 30 20 DBED C[C@@H](C[C@H](C)NC(=O)c1cnc(O)n1C)NCC(=O)NCC#N 1135188953 RPARHHWICSZTHC-UWVGGRQHSA-N 322.369 -0.748 30 20 DBED Cc1cnn(C)c1C(=O)N[C@H](C)C[C@H](C)NCC(=O)NCC#N 1135217531 DIBSMJHZWKETKC-NWDGAFQWSA-N 320.397 -0.145 30 20 DBED COCC#CCN1CCC2(C1)CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 1147506304 FWQOISKXFGTHIU-CHWSQXEVSA-N 307.350 -0.164 30 20 DBED COCC#CCN1CCC2(C1)CN(C(=O)c1[nH]nnc1C)C2 1148017508 QRMGVDDOBKETAP-UHFFFAOYSA-N 303.366 -0.089 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)C[C@H]2CCN(C)C2=O)C1 1149887628 GIMSPOMFIKONRN-KGLIPLIRSA-N 307.394 -0.305 30 20 DBED C=C(C)CN1CCCO[C@H](CNC(=O)Cn2ncn(C)c2=O)C1 1149922062 VKVWWMOYLWDJFP-CYBMUJFWSA-N 323.397 -0.635 30 20 DBED C#CCCN1CCCO[C@H](CNC(=O)[C@]2(C)CNC(=O)C2)C1 1150023252 SUZFBPNUMDLDHI-CJNGLKHVSA-N 307.394 -0.257 30 20 DBED C=C(C)CN(CC)C(=O)[C@@H](C)NCCNC(=O)Cn1cncn1 1150284947 MPKWZWDRIRXQMX-CYBMUJFWSA-N 322.413 -0.203 30 20 DBED N#CCN1CCCO[C@@H](CNC(=O)CC(=O)NCC2CC2)C1 1150571468 IGLCJDADRUTQTN-ZDUSSCGKSA-N 308.382 -0.367 30 20 DBED C#CCCN1CCC(CCOC)(NC(=O)[C@H]2CNC(=O)N2)CC1 1151281237 HSTHQNBMMULKNY-CYBMUJFWSA-N 322.409 -0.322 30 20 DBED C=C(C)CN(CC)[C@H](C)CNC(=O)Cn1ccc(=O)n(C)c1=O 1153710395 QUPRNCXGPBYQGV-CYBMUJFWSA-N 322.409 -0.050 30 20 DBED C=CCNC(=O)CNCCNC(=O)CC[C@@]1(C)CCC(=O)N1 1153911851 ZMEAVTLHGFSVLX-HNNXBMFYSA-N 310.398 -0.557 30 20 DBED C#CCO[C@H](C)C(=O)NCCCNCC(=O)NC(=O)NC1CC1 1157869733 QDDCVXPNNZPDBL-LLVKDONJSA-N 324.381 -0.891 30 20 DBED C#CCN1CC=C(CCNC(=O)CS(=O)(=O)N(C)C)CC1 1161796483 KEZPCXYSDLQOPS-UHFFFAOYSA-N 313.423 -0.351 30 20 DBED COCC1(CNC(=O)[C@H](C)C#N)CCN([C@@H]2CCNC2=O)CC1 1162165942 RCDNCGIUBQHHNL-CHWSQXEVSA-N 322.409 -0.121 30 20 DBED COCC1(CNC(=O)[C@H]2CCNC(=O)C2)CCN(CC#N)CC1 1162203691 MMRWOLQEDFIISE-ZDUSSCGKSA-N 322.409 -0.119 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)c1cc(OC)n(C)n1 1162228037 DIUQXZZPASBJFM-NSHDSACASA-N 323.397 -0.171 30 20 DBED CC#CCNCCCC[C@@H](C)NC(=O)CNS(=O)(=O)NC 1171924261 MYBMJKIZDDRRFF-GFCCVEGCSA-N 318.443 -0.672 30 20 DBED C#CCCNCCCC[C@@H](C)NC(=O)CN1CC(=O)NC1=O 1175754383 BKKZQWYXBFACBY-GFCCVEGCSA-N 308.382 -0.174 30 20 DBED C#CCNC(=O)CNCCCNC(=O)C1CCN(CC#C)CC1 1176925825 CDCBJYLYKPWLFP-UHFFFAOYSA-N 318.421 -0.823 30 20 DBED CC(C)C#CC(=O)N1CC[C@H]2OCCN(CCOCCO)[C@@H]2C1 1177020442 ZKBNDAUFJJVVQC-HZPDHXFCSA-N 324.421 -0.044 30 20 DBED N#CCNC[C@@H]1C[C@H]2CC[C@H]1N(C(=O)CN1CC(=O)NC1=O)C2 1177913587 CNHCSNOSEDSQHD-GRYCIOLGSA-N 319.365 -0.722 30 20 DBED CC#CCN[C@H]1CCN(C(=O)CNS(=O)(=O)CC)[C@H]1C 1178832348 NMVUJTZXKSOFOC-RYUDHWBXSA-N 301.412 -0.472 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)CCCCC(N)=O)[C@H]1C 1179886004 NBENNDDBHQKERI-STQMWFEESA-N 322.409 -0.640 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@@H](NCCN2C(=O)CCC2=O)C1 1182472552 DLPNYCIFXKVCBB-QWHCGFSZSA-N 321.377 -0.636 30 20 DBED C=CCNC[C@H]1CN(C(=O)[C@@H]2CNC(=O)N2)CC12CCOCC2 1186465085 XCKOFRPFBKBRID-STQMWFEESA-N 322.409 -0.301 30 20 DBED N#CCNC(=O)CN1C[C@@H]2CCN(C(=O)C[C@H]3CCOC3)[C@@H]2C1 1187408393 QGUGHILQPASTAZ-HZSPNIEDSA-N 320.393 -0.415 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)c2ccoc2C)C1 1190905321 SHFWVZZQPBUEDO-LERXQTSPSA-N 319.361 -0.499 30 20 DBED CN(CC#N)[C@H]1CCN(C(=O)CCCn2c(O)nnc2O)C1 1191050561 IVFHMWFKAWQXPE-JTQLQIEISA-N 308.342 -0.474 30 20 DBED COCC#CCN(C)[C@@H]1CCN(C(=O)C(=O)NCC(F)F)C1 1191090895 GDZOMKLABGYULY-LLVKDONJSA-N 317.336 -0.450 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)c2cocn2)C1 1191696632 HIJZYNULUNNDSI-CKYFFXLPSA-N 308.338 -0.860 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H](C)CSC)C1 1191771395 MZUZZGXFTLMXFZ-IJLUTSLNSA-N 315.439 -0.551 30 20 DBED CN(C)CCCC(=O)N1CC[C@H](N(C)CC(=O)NCC#N)C1 1192008379 WYFYHNCOVMFSNZ-ZDUSSCGKSA-N 309.414 -0.499 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2cccnn2)C1 1192998187 GRPQHBOIARBALJ-GFCCVEGCSA-N 303.366 -0.075 30 20 DBED C#CCCN(C)[C@H]1CCN(C(=O)c2nccnc2C(N)=O)C1 1193905521 JASRTZFPOOXVKM-NSHDSACASA-N 301.350 -0.255 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCCN(Cc2nncn2C)CC1 1195791628 HLPNYCRZFODPQA-ZDUSSCGKSA-N 305.382 -0.112 30 20 DBED C=C[C@](C)(CC)C(=O)N[C@@H]1CN(CCS(C)(=O)=O)C[C@H]1O 1195932544 QTEJSNYDTTWPJT-YRGRVCCFSA-N 318.439 -0.205 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)Cc2ccco2)C1 1197091918 VEXBCWYNCNZNPC-IACUBPJLSA-N 321.377 -0.326 30 20 DBED C=CCOCC(=O)N1CCC(NCCN2CCNC2=O)CC1 1199796395 GDWKYXSMDMTROL-UHFFFAOYSA-N 310.398 -0.205 30 20 DBED C#CCNC[C@H]1CN(C(=O)C(=O)NCC(F)(F)F)CCCO1 1201741068 QUUMSYIOVJOUPI-JTQLQIEISA-N 321.299 -0.495 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)[C@@H](C2CC2)N(C)C)C1 1208334137 FZWVMBGGXJLMMO-GOEBONIOSA-N 320.437 -0.343 30 20 DBED COCC#CCN1C[C@@H](NC(=O)c2ncccc2O)[C@H](OC)C1 1212156106 BNSKDLJLQKSUTJ-TZMCWYRMSA-N 319.361 -0.134 30 20 DBED C=CCOCC(=O)N1C[C@@H](NCCNS(C)(=O)=O)[C@H](C)C1 1214329689 JTGMEANCUIGQDZ-VXGBXAGGSA-N 319.427 -0.825 30 20 DBED CN(CC1CC1)C(=O)CN1C[C@H](O)[C@H](NC(=O)C#CC2CC2)C1 1219589840 KZBLPJHKXBBBHO-CABCVRRESA-N 319.405 -0.571 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)[C@H]2OCCO[C@H]2C)C1 1219822080 BWBCNCBHEYZJLK-CRWXNKLISA-N 314.382 -0.846 30 20 DBED Cc1nn(C)c(C)c1CCC(=O)N[C@@H]1CN(CC#N)C[C@@H]1O 1220095672 DGACDEZRCVRNEL-KGLIPLIRSA-N 305.382 -0.346 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)c2ccn(C(C)C)n2)C1 1220446580 ZSRCTIYBPUGTJU-CABCVRRESA-N 320.393 -0.111 30 20 DBED CC(=O)NCCOCCN1CC[C@@H]2CN(C(=O)[C@@H](C)C#N)[C@@H]2C1 1221446441 JANJOHOACNDAEE-NWANDNLSSA-N 322.409 -0.169 30 20 DBED C=CCN1CC[C@@H]2CN(C(=O)CN(C)S(C)(=O)=O)[C@@H]2C1 1221590932 KAVFWZOJQQXFIV-VXGBXAGGSA-N 301.412 -0.404 30 20 DBED COCC#CCN1CC[C@@H]2CCN(C(=O)Cc3nc[nH]n3)C[C@@H]21 1223887709 QNZXGUCCAVTUFH-KGLIPLIRSA-N 317.393 -0.080 30 20 DBED COCC#CCN[C@@H]1CCCC[C@H]1NC(=O)Cn1cnnc1O 1225760844 CEENZBRIMOZHDU-CHWSQXEVSA-N 321.381 -0.350 30 20 DBED C[C@H](CC(N)=O)C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCC#N 1227940069 FGFPQXVIDZEZGC-IJLUTSLNSA-N 323.397 -0.845 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N(C)C[C@H]2CCCOC2)nn1 1261449245 VQIQBVHMFJYDLM-GFCCVEGCSA-N 321.381 -0.035 30 20 DBED C=CCN(C(=O)C(=O)NCCS(C)(=O)=O)[C@H](C)COC 1261685630 PSRYAAOWZIBONR-SNVBAGLBSA-N 306.384 -0.803 30 20 DBED C#CCSCCNC(=O)C(=O)N(C)[C@@H]1CCN(CC=C)C1=O 1323355069 FRHLXDMZEKBLJG-GFCCVEGCSA-N 323.418 -0.286 30 20 DBED N#CC1CCN(C(=O)C(=O)NCc2ccc(C(N)=O)o2)CC1 1324198221 ZSHHSAVLLJSDCV-UHFFFAOYSA-N 304.306 -0.243 30 20 DBED C#CCNS(=O)(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 1324701450 PFESXIJQHGFPIM-HNNXBMFYSA-N 323.418 -0.195 30 20 DBED CN(CCCn1ccnc1)C(=O)C(=O)N1CC[C@](O)(CC#N)C1 1326227301 MTYDTFBVJBWFGX-OAHLLOKOSA-N 319.365 -0.391 30 20 DBED N#CC1(NC(=O)CN2CCC[C@H](CS(N)(=O)=O)C2)CCC1 1326538972 DRTSHCJXZUTTMP-NSHDSACASA-N 314.411 -0.451 30 20 DBED C#CCNC(=O)C1CCN(C(=O)C(=O)N2CCC[C@H](F)C2)CC1 1327366587 BWHKKYFATCZUGM-ZDUSSCGKSA-N 323.368 -0.065 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)nn1 1328581275 KFQVZMAHGKXBJB-JTQLQIEISA-N 313.383 -0.525 30 20 DBED C=C[C@H](CO)NC(=O)C(=O)Nc1ccc(O[C@@H]2CC(=O)N2)cc1 1333502815 FVEGDRAYRODAKH-NOZJJQNGSA-N 319.317 -0.487 30 20 DBED CCN(C(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1)[C@H]1CCNC1 1337601455 IAEZHPVDOVUBSX-KBPBESRZSA-N 319.409 -0.604 30 20 DBED CCOC(=O)[C@@H]1CCN(C(=O)C(=O)N2CCO[C@@H](C#N)C2)C1 1338032082 YXCRXCQTDCXADI-MNOVXSKESA-N 309.322 -0.851 30 20 DBED C=CCOCc1nnc(N2CCO[C@H](CNC(C)=O)C2)n1C 1339752478 LUAFNAKCLJCKCL-GFCCVEGCSA-N 309.370 -0.141 30 20 DBED C[C@@H](O)c1cn(CC(=O)NCC2CCN(CC#N)CC2)nn1 1340465463 OBNZDXBCNXJIMX-LLVKDONJSA-N 306.370 -0.317 30 20 DBED CN1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc(C#N)n2)C1=O 1345812159 LULYEKCPPBCJPD-SNVBAGLBSA-N 301.306 -0.419 30 20 DBED C#CC1(O)CCN(C(=O)N[C@@H](CC)C(=O)N2CCOCC2)CC1 1346240687 XKFSZANLPHFYNM-ZDUSSCGKSA-N 323.393 -0.207 30 20 DBED N#Cc1ncn(CCNC(=O)CCCN2C(=O)CCC2=O)n1 1346977263 YLMUCLSQXTUORB-UHFFFAOYSA-N 304.310 -0.805 30 20 DBED C#CCSCCn1nnnc1N1CC[C@H](C(=O)N(C)C)C1 1352339156 FCHJIJGGRIOCQK-NSHDSACASA-N 308.411 -0.046 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N1CC[C@](F)(CO)C1 1352717909 UPTBRPVHVZJXAN-SMDDNHRTSA-N 300.330 -0.536 30 20 DBED COCCCN(C(=O)NCC#CCO)[C@H]1CCS(=O)(=O)C1 1354184187 GXENBINUFMMBIF-LBPRGKRZSA-N 318.395 -0.783 30 20 DBED C#CCO[C@@H](C)C(=O)OCCc1c(C)nc2nc[nH]n2c1=O 1358442719 ZJPKQADPSDTMDA-JTQLQIEISA-N 304.306 -0.150 30 20 DBED C[C@@]1(CO)CCCN(C(=O)CCn2cc(C#N)c(O)nc2=O)C1 1362546997 ZIEAMLUREWTDSU-OAHLLOKOSA-N 320.349 -0.168 30 20 DBED N#C[C@H]1CN(S(=O)(=O)C[C@@H]2CCCS(=O)(=O)C2)CCO1 1365036465 PMHFNKKKPLUXOB-MNOVXSKESA-N 322.408 -0.635 30 20 DBED C[C@H](C#N)C(=O)NCC1(NCC(=O)NC[C@H]2CCCO2)CC1 1367988464 DHBSJKYXIHGWJY-VXGBXAGGSA-N 308.382 -0.320 30 20 DBED CC[C@@H](CNC(=O)CCCS(C)(=O)=O)NC(=O)[C@@H](C)C#N 1375148673 ZVQKYSKDHDVJAF-QWRGUYRKSA-N 317.411 -0.018 30 20 DBED CN(C[C@H](O)CNCc1cnn(C)c1)C(=O)c1cc(C#N)c[nH]1 1379758514 FFYRKJYYFDKNFN-CYBMUJFWSA-N 316.365 -0.157 30 20 DBED Cc1ncnc(O)c1CCC(=O)NC1CN(C(=O)[C@H](C)C#N)C1 1387769110 XSUZTRZJUHRIGB-SECBINFHSA-N 317.349 -0.090 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1cn2c(n1)CCCC2 1392106547 AYLTXCNXKXPLBR-QWRGUYRKSA-N 319.365 -0.414 30 20 DBED C[C@H](C#N)C(=O)NC1CCN(C(=O)CCn2cncn2)CC1 1396825654 XFRYBDJSQXDQJD-LLVKDONJSA-N 304.354 -0.065 30 20 DBED CC(=O)N1CC(C(=O)N2CC[C@@H](CNC(=O)[C@H](C)C#N)C2)C1 1397651964 GUGFOKPMWKWGAQ-PWSUYJOCSA-N 306.366 -0.411 30 20 DBED C[C@H](C#N)C(=O)NC[C@](C)(NC(=O)CCNC(N)=O)C1CC1 1409501766 AKMJRODNXSNYJH-OTYXRUKQSA-N 309.370 -0.394 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1cc(C2CC2)n(C)n1 1410123688 JWSMOTCQNKMMLS-MWLCHTKSSA-N 319.365 -0.336 30 20 DBED Cn1cccc(NC(=O)Cn2cc(C#N)c(O)nc2=O)c1=O 1411756850 ALVFADWVFNTLPU-UHFFFAOYSA-N 301.262 -0.842 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N1CC[C@H]2COC(=O)N[C@@H]2C1 1413391189 QDJLTMYQBZVGJU-GARJFASQSA-N 316.383 -0.105 30 20 DBED N#Cc1cn(CC(=O)N[C@@H]2CCc3n[nH]cc3C2)c(=O)nc1O 1417687559 UOIUKENHPKSJGR-SNVBAGLBSA-N 314.305 -0.783 30 20 DBED CCNC(=O)NC(=O)[C@H](C)N[C@H]1C[C@H](NC(=O)[C@@H](C)C#N)C1 1436892266 ZADGPLQTGYTEDH-NAKRPEOUSA-N 309.370 -0.383 30 20 DBED COCCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 1445507782 QCDHJJATKUVEEJ-VXGBXAGGSA-N 306.322 -0.776 30 20 DBED C[C@H](C#N)C(=O)N(C)CCCN(C)CC(=O)NC(=O)NC1CC1 1447328283 QUQOERXADFCXEA-LLVKDONJSA-N 323.397 -0.085 30 20 DBED N#Cc1cnc(C(=O)NC[C@@H](O)Cn2ccnn2)c(Cl)c1 1468821829 UBCJQRQAGZSPCR-SECBINFHSA-N 306.713 -0.011 30 20 DBED N#CCC1(CS(=O)(=O)N[C@@H]2CCc3nnnn3CC2)CC1 1475403679 IZROUIWIIREQRQ-SNVBAGLBSA-N 310.383 -0.009 30 20 DBED N#Cc1cn(CCNS(=O)(=O)CC2CCC2)c(=O)nc1O 1475510160 KCCNEKIWZSTCMA-UHFFFAOYSA-N 312.351 -0.460 30 20 DBED CON=CC(=O)N[C@H]1CCCC[C@H]1Cc1nn(C)c(=O)n1C 1550475686 MUBBIMBIQYGZKE-QWRGUYRKSA-N 309.370 -0.032 30 20 DBED COC[C@@H]1CN(c2cnc(-c3nn[nH]n3)c(C#N)n2)C[C@H](C)O1 1579747113 OLEIMGJWULTFGE-IUCAKERBSA-N 316.325 -0.232 30 20 DBED N#Cc1ncc(N2CCC[C@H]2C2OCCO2)nc1-c1nn[nH]n1 1581881895 DPORHFCKLCWFQN-VIFPVBQESA-N 314.309 -0.130 30 20 DBED C#CCN(CC(=O)O)c1nnnn1CC1CC(OC)(OC)C1 1588426791 CCCSLAMKSLNRMR-UHFFFAOYSA-N 309.326 -0.404 30 20 DBED C#CCNC(=O)CCN1[C@H]2CC[C@H]1[C@H](C(=O)O)[C@@H]2C(=O)OC 1588479301 IPXXHQUQNLNOCC-XRRVDJEJSA-N 308.334 -0.538 30 20 DBED C=C(C)C[C@H](NS(=O)(=O)N1CCO[C@H](C#N)C1)C(=O)O 1588555757 RJBRJCKGNILRDE-ZJUUUORDSA-N 303.340 -0.535 30 20 DBED CC1(C(=O)O)CCN(C(=O)C(=O)N2CCO[C@](C)(C#N)C2)CC1 1589181844 RVJDIWQUDMHVOB-OAHLLOKOSA-N 323.349 -0.159 30 20 DBED CN1CCCN/C1=N/CCCc1[nH]nc(N)c1-c1nn[nH]n1 1591188903 WYQKBRQUPRFRFO-UHFFFAOYSA-N 304.362 -0.614 30 20 DBED O=C(NCC#CCO)NCCc1ccc(-c2nn[nH]n2)cc1 1593004828 QGQMEGGLBXTEFB-UHFFFAOYSA-N 300.322 -0.296 30 20 DBED COC[C@@]1(C(=O)O)CN(C(=O)NCC#CCN(C)C)CCO1 1593970247 FANJOPZUZCWKFI-CQSZACIVSA-N 313.354 -0.937 30 20 DBED Cc1sc(S(N)(=O)=O)cc1C(=O)N(CC#N)CC(=O)O 1600889835 ZMXHFZNITPNRIJ-UHFFFAOYSA-N 317.348 -0.246 30 20 DBED N#CCC1(O)CN(C(=O)CNc2ccc(-c3nn[nH]n3)cn2)C1 1606346625 VLWRDWYVVABAIR-UHFFFAOYSA-N 314.309 -0.839 30 20 DBED C[C@H](CNC(=O)N1CC[C@@](O)(CC#N)C1)N1CCN(C)CC1 1649321218 LJLUJIGRBWAWKI-HIFRSBDPSA-N 309.414 -0.318 30 20 DBED COCC#CCN[C@H]1C[C@H](NC(=O)c2cn3c(n2)COCC3)C1 1752641615 ILCIECRFYGWZBL-JOCQHMNTSA-N 318.377 -0.087 30 20 DBED C=C(C)CNC[C@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 1752942133 XPICNZNODWSLCH-LLVKDONJSA-N 306.370 -0.609 30 20 DBED COCC#CCNC[C@H]1CCN(C(=O)CN2CCCNC2=O)C1 1752944343 WJXZYDHUILWGBF-CQSZACIVSA-N 322.409 -0.510 30 20 DBED C#CCNC(=O)[C@@H](C)NCCN(C)C(=O)C(C)(C)CNC(C)=O 1753240363 PZQLZSCQOMASSX-GFCCVEGCSA-N 324.425 -0.665 30 20 DBED CC#CCN[C@H](CC)CNC(=O)CN(C)S(=O)(=O)CC 1753493324 YHXPYWNFSHEDHT-GFCCVEGCSA-N 303.428 -0.224 30 20 DBED C#CCOCCC(=O)NC[C@H](C)CN[C@@H]1CCCN(C)C1=O 1753613163 RCPZMBGTXRUJKE-ZIAGYGMSSA-N 309.410 -0.011 30 20 DBED C#CCNC(=O)CNC[C@@H]1[C@@H](C)CCCN1C(=O)c1nc[nH]n1 1753812291 ORJAWRGTLANJKX-NWDGAFQWSA-N 318.381 -0.616 30 20 DBED CC(C)[C@H](CNC(=O)c1ncccc1O)NCC(=O)NCC#N 1753828114 CQDDTYJRTCRJGZ-NSHDSACASA-N 319.365 -0.229 30 20 DBED Cc1nnc([C@@H](C)NC[C@@H](O)CNC(=O)CSCC#N)o1 1753905097 DABHUHIOXYCPJK-PSASIEDQSA-N 313.383 -0.238 30 20 DBED Cc1nc(C)c(C(=O)N(C)C2CN(CC(=O)NCC#N)C2)o1 1754572439 DHBISHDGVXWFTG-UHFFFAOYSA-N 305.338 -0.313 30 20 DBED N#CCNC(=O)CNCC[C@H]1CCN(C(=O)Cc2ccon2)C1 1754907197 CHFCIZBPUFAVSY-LBPRGKRZSA-N 319.365 -0.315 30 20 DBED N#CCNC[C@@H]1CN(C(=O)[C@@H]2CCc3nccn3C2)CCO1 1755004360 GVSMRJGFFNPRJG-CHWSQXEVSA-N 303.366 -0.214 30 20 DBED COc1c(C(=O)N2CCC[C@](CO)(NCC#N)C2)c(C)nn1C 1755089665 UGLBWPGLBFITOE-HNNXBMFYSA-N 321.381 -0.183 30 20 DBED C=CCN1CC([C@H](C)NC(=O)CN(C)S(=O)(=O)CC)C1 1755388704 ICXHTBUZNVGRQG-NSHDSACASA-N 303.428 -0.110 30 20 DBED C=C(C)CN[C@@H](CO)CNC(=O)c1ccc(-n2cncn2)nc1 1755634414 FKIOWVQQZRRHHS-CYBMUJFWSA-N 316.365 -0.081 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@H](O)CN(C)C(=O)c1ccccn1 1755771690 QLKBADXDFININJ-OLZOCXBDSA-N 318.377 -0.758 30 20 DBED C=CCOCC(=O)N1CCC[C@@H]([C@H]2CCN(C(=O)C(N)=O)C2)C1 1755925391 UGMCHRRVZNSGLZ-OLZOCXBDSA-N 323.393 -0.239 30 20 DBED C#CCOCCC(=O)NC[C@@H](C)N(C)C(=O)c1cnc(O)n1C 1756026566 IQNJENDZXDLDNT-LLVKDONJSA-N 322.365 -0.258 30 20 DBED O=C(C#CC1CC1)NCCOCCCNC(=O)Cn1cncn1 1756398249 QUWDJASFCZTIEP-UHFFFAOYSA-N 319.365 -0.669 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@H](CO)NC(=O)[C@@H]1C[C@@H]2C[C@@H]2C1 1756515405 LHDXQQCRKXTYAO-SUNOKAMTSA-N 310.394 -0.047 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H](CO)CNC(=O)c1[nH]c(C)nc1C 1756550321 SBLMFPHDTAUWOT-ZYHUDNBSSA-N 324.381 -0.175 30 20 DBED C=CC(C)(C)C(=O)NC[C@@H](O)CN(C)C(=O)[C@@H](C)NC(C)=O 1756649074 FQHGIGHHOWQLGM-ZYHUDNBSSA-N 313.398 -0.341 30 20 DBED CC(C)[C@@H](F)C(=O)N[C@@H]1CN(C(=O)CSCC#N)C[C@H]1O 1757024410 DGSSMWHZEIPLQM-CKYFFXLPSA-N 317.386 -0.075 30 20 DBED C#CCNC(=O)CNS(=O)(=O)c1ccc(F)c(C(=O)O)c1 1776135053 SLXLABMQLSQWEO-UHFFFAOYSA-N 314.294 -0.448 30 20 DBED CC(C)[C@H](S)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C(O)O)C2 1793606413 MRSZFSHBTLXPPX-VLEAKVRGSA-N 316.423 -0.110 30 20 DBED COCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)S)C2 1795206482 AOGAPAOOAQSIKA-MWGHHZFTSA-N 302.396 -0.459 30 20 DBED C=C(C)CNC(=S)N1CCN(S(=O)(=O)N(C)C)CC1 45709320 KWJCWEOZPDXSIF-UHFFFAOYSA-N 306.457 -0.139 30 20 DBED CC[C@](C)(NCC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)C(N)=O 91623997 SMBPUAHVLZXCBF-BBRMVZONSA-N 323.441 -0.078 30 20 DBED CC(=O)N1CCC(CNc2c(C#N)c(=O)n(C)c(=O)n2C)CC1 104660721 FNJMURGHHXSAGI-UHFFFAOYSA-N 319.365 -0.374 30 20 DBED C#CCOCCC(=O)Nc1ccc(N2CCNC(=O)C2)nc1 119283273 DAWBBJKGTJCXOB-UHFFFAOYSA-N 302.334 -0.004 30 20 DBED C#CCOCCC(=O)NCC1CCN(S(C)(=O)=O)CC1 179400081 JRJRBHKZXFXCAU-UHFFFAOYSA-N 302.396 -0.186 30 20 DBED Cc1cccc(NC(=O)C(=O)N2CCN(CCO)CC2)c1C#N 186283765 PISFZSVXUQGLQA-UHFFFAOYSA-N 316.361 -0.058 30 20 DBED C#Cc1cccc(NC(=O)C(=O)NCCNC(=O)N(C)C)c1 190540434 CVESJDAXXZWUKB-UHFFFAOYSA-N 302.334 -0.006 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC(CC)(CC)CN)C1=O 262575441 IRRKZYOHMIKBBN-UHFFFAOYSA-N 310.354 -0.403 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)c2c[nH]c(C#N)c2)CC1 272195093 CERLKEHXHRYUOW-UHFFFAOYSA-N 313.361 -0.216 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCCOCC(F)F)C1=O 276713198 VTMKPLDPJRORNB-UHFFFAOYSA-N 319.264 -0.639 30 20 DBED C#CCN1CCC(C(=O)NCCn2cc(C(=O)OC)nn2)CC1 286823612 LNXPFABADAGFDT-UHFFFAOYSA-N 319.365 -0.474 30 20 DBED N#Cc1ncn(CCNC(=O)N2CC(=O)N(CC3CC3)C2)n1 287020220 RJSANZODQSRHNC-UHFFFAOYSA-N 303.326 -0.629 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C)CCCCN)C1=O 292021548 FKLXTKUNWDIHQL-SNVBAGLBSA-N 310.354 -0.403 30 20 DBED C[C@H](C(=O)NC(N)=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 292047684 AYNYAQWWFBTSNK-MWLCHTKSSA-N 303.322 -0.010 30 20 DBED C[C@H](C/N=C(/O)N1CCS(=O)(=O)CC1)N1CCOCC1 328810543 DXOGQZIHLQQFRM-LLVKDONJSA-N 305.400 -0.649 30 20 DBED CO[C@H]1C[C@@H](CO)N(/C(O)=N/[C@@H]2CS(=O)(=O)C[C@@H]2C)C1 329737030 LVQDDCNSSOXBBR-XWLWVQCSSA-N 306.384 -0.585 30 20 DBED CCS(=O)(=O)N1CC(C/N=C(/O)N2CC(/N=C(/C)O)C2)C1 329842930 PEHZWSJFVNEKJV-UHFFFAOYSA-N 318.399 -0.158 30 20 DBED Cn1cc([C@@H]2CN(/C(O)=N/[C@@H]3[C@H]4COC[C@H]43)C[C@H]2CO)cn1 330023033 IBFGPXVFXCUIBA-QSLWVIQJSA-N 306.366 -0.013 30 20 DBED CCCC/N=C(/O)NC(=O)CN1CCN(C(=O)[C@@H](C)O)CC1 330598670 ZPFKBZBGYBCZLP-LLVKDONJSA-N 314.386 -0.658 30 20 DBED C=CC/N=C(/O)NC(=O)CN1CCC[C@H]1CS(=O)(=O)NC 331178257 QJBGOFYWJRTJME-JTQLQIEISA-N 318.399 -0.784 30 20 DBED CC(C)N(CCN(C)C)S(=O)(=O)N1CCO[C@@H](C#N)C1 336886627 KESXCCFVYBTPRC-LBPRGKRZSA-N 304.416 -0.272 30 20 DBED CCN(CCC#N)S(=O)(=O)N[C@H](C)C(=O)N1CCOCC1 336917540 NMTJORLGQYQNQP-LLVKDONJSA-N 318.399 -0.696 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)NC[C@H]1CCCCS1(=O)=O 336934729 DWDHUUDYXHYJNV-WDEREUQCSA-N 323.440 -0.120 30 20 DBED C=CCNC(=O)C(=O)Nc1cccn(CC(=O)OCC)c1=O 338965303 FCAQQRIXERFWDR-UHFFFAOYSA-N 307.306 -0.348 30 20 DBED C=CCOCC(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 347018756 YQXQFJHBIPYXMY-LBPRGKRZSA-N 320.411 -0.206 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)C2CCC(O)CC2)CC1 490740081 MILDKHKOEHNKRP-UHFFFAOYSA-N 321.421 -0.179 30 20 DBED C#CCN(C)CCCNC(=O)N1CCC[C@H](C(=O)NCCN)C1 491388053 ZWELOJODJLEFPI-AWEZNQCLSA-N 323.441 -0.562 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2cn(C)nc2C)CC1 491537946 VGUPWYOOHJUQIB-UHFFFAOYSA-N 303.366 -0.764 30 20 DBED CN(CCC#N)S(=O)(=O)NCc1nnnn1-c1ccccc1 558600989 BRUJHWNGVHZLNT-UHFFFAOYSA-N 321.366 -0.158 30 20 DBED C[C@H](CO)N(C)C(=O)CNS(=O)(=O)c1cccc(C#N)c1 565747439 KCNOSLLDALFVMM-SNVBAGLBSA-N 311.363 -0.324 30 20 DBED C=CCSCCNC(=O)N1CCN(S(=O)(=O)NC)CC1 596215038 LCLBTRFMWOSLJE-UHFFFAOYSA-N 322.456 -0.303 30 20 DBED C=CCn1cc(CNS(=O)(=O)C[C@H](COC)OC)nn1 641543338 QHVKBTWKWVZSDQ-NSHDSACASA-N 304.372 -0.455 30 20 DBED CC#CC[C@@H](CO)NC(=O)[C@H]1CCCN1C(=O)CNC(C)=O 649188989 WMVMPEGECLIYCS-QWHCGFSZSA-N 309.366 -0.996 30 20 DBED C#Cc1cccc(NC(=O)CNC(=O)CSCC(N)=O)c1 733889949 XHMAGOPCMIIVSB-UHFFFAOYSA-N 305.359 -0.059 30 20 DBED C#C[C@@H](NC(=O)N1CCN(C(C)(C)C(N)=O)CC1)[C@H]1CCCO1 776225580 QFMHKAOVUVJRQR-CHWSQXEVSA-N 322.409 -0.242 30 20 DBED N#Cc1cnn2c(O)cc(COC(=O)C3(C(N)=O)CC3)nc12 783603672 BWHNDONLXZTWOH-UHFFFAOYSA-N 301.262 -0.385 30 20 DBED CC(C)[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1cnn(CC#N)c1 784413454 FBYARSHMXHMJGD-NSHDSACASA-N 318.337 -0.672 30 20 DBED C#CCOCCNC(=O)C1=CC=CN2CCS(=O)(=O)N=C12 784604644 VSWWPBGFIVNCPI-UHFFFAOYSA-N 309.347 -0.750 30 20 DBED C#CCC[C@H](O)CNC(=O)C(=O)Nc1cc(C(N)=O)ccc1C 799286601 IBIUYKJWDNMDQR-LBPRGKRZSA-N 317.345 -0.077 30 20 DBED COCCN(CCC#N)S(=O)(=O)NCC1(C)OCCO1 800101240 XEUYWOHYXHWBPK-UHFFFAOYSA-N 307.372 -0.554 30 20 DBED CCN(CCS(C)(=O)=O)S(=O)(=O)N(C)[C@@H](C)CC#N 800925205 LAHYJKCOICNEHP-JTQLQIEISA-N 311.429 -0.168 30 20 DBED CON=CC(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 809677565 NOCWIJRJJAALKG-JTQLQIEISA-N 307.372 -0.777 30 20 DBED CN1C[C@@H]2CCCN(C(=O)C(=O)Nc3cnn(CC#N)c3)[C@@H]2C1 824668213 LLQYEOGNMBUDII-WCQYABFASA-N 316.365 -0.102 30 20 DBED N#C[C@@H]1CNC[C@@H]1NC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 846677045 JMYNVLFOUOQPMT-LOWVWBTDSA-N 302.334 -0.144 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)CN(C)C2CCC2)CC1 900038143 QMJBPGXOOXBNJA-UHFFFAOYSA-N 308.426 -0.083 30 20 DBED C#Cc1cncc(C(=O)N2CCC[C@H]2C(=O)NCC(=O)O)c1 910757266 OOWXBFHAAJUNQM-LBPRGKRZSA-N 301.302 -0.132 30 20 DBED COC(=O)c1c[nH]nc1S(=O)(=O)Nc1c(C#N)c(C)nn1C 912562952 NRWRKNMVSGSDNN-UHFFFAOYSA-N 324.322 -0.089 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CN1CCCCC1=O 937516827 FIHIZKHKWBDAEG-AGIUHOORSA-N 318.377 -0.030 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2cnon2)C1 938504868 QLJMUHZNPWIYAW-UMNHJUIQSA-N 306.322 -0.009 30 20 DBED CO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1NC(=O)c1cnc(C)cn1 941088708 NFZDORCEGYIAPW-OASPWFOLSA-N 317.349 -0.100 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1CCCCN(C(=O)C(N)=O)C1 943338522 YXTSTSBYMUJBAB-STQMWFEESA-N 320.393 -0.933 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)c2csc(O)n2)C1 944737584 YLIGTFPSQPVHKH-IUCAKERBSA-N 324.362 -0.034 30 20 DBED CC#CCN1CCC2(CC1)CN(C(=O)[C@@H]1CCNC1=O)CCO2 949154030 MOXOTDKNTRDBSK-CQSZACIVSA-N 319.405 -0.161 30 20 DBED CN1CCOC[C@H]1C(=O)N1CCC2(CC1)CN(CC#N)CCO2 949343481 DAGAQRSZKXSWAG-AWEZNQCLSA-N 322.409 -0.466 30 20 DBED C=CCn1cc(C(=O)N2CCN([C@@H](C)C(=O)NC)CC2)nn1 951559525 AJLXYRJZIZXRRX-NSHDSACASA-N 306.370 -0.644 30 20 DBED COc1ccc(C(=O)NC[C@@H]2CCN2C(=O)[C@@H](C)C#N)nn1 952099448 PKWDDOBJZICRJO-UWVGGRQHSA-N 303.322 -0.024 30 20 DBED C=CCn1cc(C(=O)N(CC)C2CN(CC(=O)NC)C2)nn1 952425562 TZPRPLMZEWPPQH-UHFFFAOYSA-N 306.370 -0.644 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)C(N)=O 952590845 WLDJPKGZOSJKHB-XQHKEYJVSA-N 321.377 -0.345 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CCC[C@H]1CN(C(=O)C(N)=O)C2 952783413 BDAXXVFBCQHJJB-RVMXOQNASA-N 321.377 -0.345 30 20 DBED CC#CCN1C[C@@H](O)[C@H](CNC(=O)c2nc(C)c(C)nc2O)C1 958179218 KBKCNLLAZBKPIO-CHWSQXEVSA-N 318.377 -0.155 30 20 DBED C#CCCN1C[C@H](O)[C@H](CNC(=O)c2ccc3nnnn3c2)C1 958252686 CESRCUQSECZJRR-OLZOCXBDSA-N 314.349 -0.830 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CN(C(=O)CN3CCOCC3)C[C@H]2C1 961395700 PSMUVEOPLVFRHN-MELADBBJSA-N 320.393 -0.605 30 20 DBED Cc1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)cnn1 962501786 VFXNCIGGPADSLF-AXTRIDKLSA-N 303.322 -0.754 30 20 DBED N#Cc1cc(C(=O)N2CCC[C@@H]3[C@@H]2CCN3C(=O)C(N)=O)c[nH]1 962959461 NJPGSUGTGZPTEL-NEPJUHHUSA-N 315.333 -0.423 30 20 DBED NC(=O)CC(=O)N1CC[C@@H]2[C@H]1CCCN2C(=O)C#CC1CC1 963060075 UGIXUTKAMXHCNX-CHWSQXEVSA-N 303.362 -0.133 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)Cc2cscn2)C1 963210449 AXJUYVRCBUPNHD-GDPRMGEGSA-N 308.363 -0.467 30 20 DBED CC#CCN1CC[C@H](C)[C@@H](NC(=O)CN2CCOCC2=O)C1 966753591 PLCXPKBDOAYGJO-KBPBESRZSA-N 307.394 -0.305 30 20 DBED C[C@@H]1CN(C(=O)CN[C@@H]2CCN(C(=O)C#CC3CC3)C2)CCO1 968629709 HIPVOJALFWYMIU-UKRRQHHQSA-N 319.405 -0.162 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)Cn3cccn3)C[C@@H]2O)C1 970377597 PAGCSTYOGVMFAO-OLZOCXBDSA-N 318.377 -0.073 30 20 DBED C[C@H](NC(=O)c1cn([C@@H]2CCOC2)nn1)C1CN(CC#N)C1 970710198 HOMYNPDIQJIQKB-CMPLNLGQSA-N 304.354 -0.187 30 20 DBED C#CCCN1CCO[C@@]2(CCN(C(=O)[C@@H]3COCCO3)C2)C1 972275413 NSLCDZROEFNAGU-HOCLYGCPSA-N 308.378 -0.272 30 20 DBED CN(C[C@@H]1CCN1C(=O)C#CC1CC1)C(=O)[C@@H]1COCCO1 977391805 FDWAXYOICBMYRT-KBPBESRZSA-N 306.362 -0.126 30 20 DBED C=CCN1CCCN(C(=O)Cn2ccc(=O)n(C)c2=O)CC1 981281968 ZQNBJDNPPGSAQC-UHFFFAOYSA-N 306.366 -0.733 30 20 DBED C#CCCN1CCCN(C(=O)CCn2ncn(C)c2=O)CC1 981674563 WNFIGTAAOAASQL-UHFFFAOYSA-N 305.382 -0.471 30 20 DBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)C(N)=O)[C@@H]1C 988261359 QOSDOWZPAXJKNA-VOAKCMCISA-N 323.393 -0.051 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC(NC(=O)c3cnsn3)C2)c1 990333222 OVSMEXGSLRNCNS-UHFFFAOYSA-N 302.319 -0.008 30 20 DBED COC(=O)[C@H]1C[C@@H]1C(=O)NC1CN(C(=O)c2cc(C#N)c[nH]2)C1 990456689 MVFVHEZTYXLOJN-QWRGUYRKSA-N 316.317 -0.364 30 20 DBED C#Cc1cncc(C(=O)N2CC(NC(=O)c3nccnc3N)C2)c1 990550292 LVHXJVGBLLDPJO-UHFFFAOYSA-N 322.328 -0.311 30 20 DBED Cn1oc(C(=O)N2CC(NC(=O)c3cc(C#N)c[nH]3)C2)cc1=O 990697055 ZDDVQVBYEWSJAN-UHFFFAOYSA-N 315.289 -0.568 30 20 DBED C[C@H]1CCCN(C(=O)C(=O)NC2CN(C(=O)C#CC3CC3)C2)C1 991637225 WHODHTWREZTQGV-LBPRGKRZSA-N 317.389 -0.015 30 20 DBED C=CCCN1CCC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@H]1C 993330737 DQWNAQQDSGQJAW-NEPJUHHUSA-N 320.397 -0.078 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C 994077220 XCYOGQJZLDYNIG-NDBYEHHHSA-N 323.393 -0.336 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@]23COC[C@@H]2C3)C1 994754642 OEARIXWXWLAZEO-JDFRZJQESA-N 317.389 -0.553 30 20 DBED CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N2C[C@H](NCC#N)C(C)(C)C2)O1 996298563 PRKZTANWUUWURT-XQQFMLRXSA-N 322.409 -0.028 30 20 DBED C=CCNC1CCN(C(=O)[C@H]2CCN(C)S2(=O)=O)CC1 997078981 DETATQQPNRAWJJ-GFCCVEGCSA-N 301.412 -0.213 30 20 DBED C#Cc1cncc(C(=O)N2CC(NC(=O)[C@@H]3[C@H]4COC[C@H]43)C2)c1 997939430 HUFHSFLKVWVMIW-FICVDOATSA-N 311.341 -0.104 30 20 DBED C=CCN1CC[C@@H](n2cc(CNC(=O)c3nnn(C)n3)nn2)C1 1000012500 GAKPDUPLPDTZBF-LLVKDONJSA-N 317.357 -0.836 30 20 DBED CO[C@H](C)C(=O)N1CCC(=O)NCCN(C(=O)[C@H](C)C#N)CC1 1001730416 PWMKPOGTLGLNLA-VXGBXAGGSA-N 324.381 -0.642 30 20 DBED CC#CCN1CCC[C@H](NC(=O)[C@@H]2COCCN2C(C)=O)C1 1009567733 FHGGXCOFGNNWIW-GJZGRUSLSA-N 307.394 -0.162 30 20 DBED CCn1cc(CC(=O)N2CCN(C(=O)[C@@H](C)C#N)CC2)nn1 1011974112 YSBOOBGRSCCZAX-NSHDSACASA-N 304.354 -0.329 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCN(Cc2nnnn2C)C1 1015721980 QIJROXABHYGESB-UTUOFQBUSA-N 306.370 -0.508 30 20 DBED C#CCN1[C@H]2CC[C@H]1CC(NC(=O)CN1CC(=O)N(C)C1=O)C2 1021436843 PPKLXIRWCWEJRQ-STQMWFEESA-N 318.377 -0.375 30 20 DBED Cc1ncoc1C(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1023308973 UKCVKHPKYRTKEF-VXGBXAGGSA-N 303.318 -0.302 30 20 DBED Cn1cnn(CCC(=O)N2C[C@@H]3[C@@H](CC[C@H]3NCC#N)C2)c1=O 1026315223 LMRJPSUVXYAVAR-YNEHKIRRSA-N 318.381 -0.678 30 20 DBED C#CCN1CC[C@@H](N(C)C(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 1033510567 UEKIOTOMRYHGHL-LLVKDONJSA-N 314.349 -0.763 30 20 DBED C=CCN[C@@H]1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)C[C@H]1C 1036204030 QNRUCEKWVAUYDP-DGCLKSJQSA-N 320.393 -0.290 30 20 DBED O=C(C#CC1CC1)NC[C@@]1(O)CCN(C(=O)Cc2ccon2)C1 1039677076 DHDFSSYQLYKGPL-INIZCTEOSA-N 317.345 -0.290 30 20 DBED COc1nc(C(=O)NC[C@@]2(O)CCN(C(=O)[C@@H](C)C#N)C2)co1 1040370248 ATCPICVGVNADCV-XPTSAGLGSA-N 322.321 -0.464 30 20 DBED C=CCOCC(=O)N1CC[C@](O)(CNC(=O)c2[nH]nnc2C)C1 1040465852 CBDSIFVVENIWPT-AWEZNQCLSA-N 323.353 -0.991 30 20 DBED C=CCCOCC(=O)N1CC(O)(CNC(=O)c2ccncc2)C1 1041180861 LSPGBIOTCZYSIX-UHFFFAOYSA-N 319.361 -0.023 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)C[C@@H]2CCCO2)C1 1041654588 GWMXTEOQOMHQHB-STQMWFEESA-N 324.377 -0.717 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)c2coc(OC)n2)C1 1041973325 WAVJIEHQLHNLPI-UHFFFAOYSA-N 309.322 -0.048 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@@H]2C(=O)OC)C1 1041985660 WJQGQJQWMYZNMU-NEPJUHHUSA-N 322.361 -0.712 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)[C@H]2C[C@@H]2C(F)F)C1 1042039724 IFMGJSNWGPWVTD-UWVGGRQHSA-N 318.320 -0.220 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)[C@H](C)n2cccn2)C1 1042039861 KCDJFJJYKNXYJO-LBPRGKRZSA-N 322.365 -0.664 30 20 DBED C=CCN1CC[C@@H](N2CC(N(C)C(=O)[C@H]3COCCO3)C2)C1=O 1042494696 LAQQFCWVLIUPCW-ZIAGYGMSSA-N 323.393 -0.669 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)c2c[nH]c(C#N)c2)C1 1042669163 HUFKPLVEXUTJHG-UHFFFAOYSA-N 318.333 -0.608 30 20 DBED C=C(C)CCC(=O)N1CC(O)(CNC(=O)Cn2cnnc2O)C1 1042684508 AUDHNYSZRYDVNQ-UHFFFAOYSA-N 323.353 -0.971 30 20 DBED C=C(C)CCC(=O)NCC1(O)CN(C(=O)CCn2ccnn2)C1 1043310780 KUWKSOOORIPSRU-UHFFFAOYSA-N 321.381 -0.286 30 20 DBED C#CCCCCC(=O)N1CC(O)(CNC(=O)C(C)(C)C(N)=O)C1 1043467851 WLBGDOKROGXRDP-UHFFFAOYSA-N 323.393 -0.619 30 20 DBED CCc1nnsc1C(=O)NCC1(O)CN(C(=O)[C@H](C)C#N)C1 1043760864 OWRPRFQBVKDHSM-MRVPVSSYSA-N 323.378 -0.437 30 20 DBED C=CCN[C@@H]1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)[C@H](C)C1 1044626674 SFNNTXFNPAPPAL-CHWSQXEVSA-N 320.393 -0.298 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)C2CCC(O)CC2)C1 1045540554 IMIORMQBVQUTBU-UNXYVOJBSA-N 309.366 -0.613 30 20 DBED Cc1ncccc1CC(=O)N1CC(O)(CNC(=O)[C@@H](C)C#N)C1 1045551780 LSWSUCXTCNBIBV-NSHDSACASA-N 316.361 -0.218 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)c2csc(O)n2)C1 1045564739 MCSVXBIQNXDIQO-ZETCQYMHSA-N 310.335 -0.689 30 20 DBED CCC(=O)N1CCCC[C@H]1C(=O)N(C)[C@H]1CN(CC#N)C[C@@H]1O 1047393179 YUZOWVKMSNWIMD-IHRRRGAJSA-N 322.409 -0.195 30 20 DBED C=CCCN1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CCC(=O)NC2)C1 1047406982 VQACBUJVOBWSQN-RDBSUJKOSA-N 309.410 -0.018 30 20 DBED N#CCN1C[C@H]2CN(C(=O)Cc3ccc(C(N)=O)nc3)C[C@H]2C1 1048893307 SYMNOOQZKVACLW-BETUJISGSA-N 313.361 -0.363 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)[C@H]2CCCN2C)C[C@@H]1O 1049407036 AYTCEQRRZIYWDO-NDBYEHHHSA-N 308.382 -0.730 30 20 DBED CN1CCN(CC(=O)N2CCC[C@H]3[C@@H]2CCN3CC#N)CC1=O 1049561554 MTXSVXITMPDIDZ-KBPBESRZSA-N 319.409 -0.651 30 20 DBED C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)CN1CCC(=O)NC1=O 1049832861 ZIJMYLJEJBHJBG-OLZOCXBDSA-N 318.377 -0.373 30 20 DBED C[C@@H](NC(=O)CC(N)=O)[C@H]1CCN(C(=O)CSCC#N)C1 1050098006 NPZVAAPAQNAHJU-ZJUUUORDSA-N 312.395 -0.528 30 20 DBED C[C@@H](NC(=O)C(N)=O)[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 1050485042 VRUXZETZQCUORX-RKDXNWHRSA-N 303.322 -0.662 30 20 DBED C=CCCN1CC2(C[C@@H](NC(=O)[C@H]3COCCN3C)CO2)C1 1053782387 OLWPNYSAMQJRFQ-ZIAGYGMSSA-N 309.410 -0.147 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H]2CN(C(=O)CNC(N)=O)C[C@H]2C1 1055155067 PZXQOIWDSPDIOX-PHIMTYICSA-N 308.382 -0.216 30 20 DBED C=CCCOCC(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)C(N)=O 1056453514 WHHOTZSSNWVDSY-VXGBXAGGSA-N 309.366 -0.344 30 20 DBED CN(c1nccnc1C#N)[C@@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 1057010790 FFCGSQCGQCXKOY-SNVBAGLBSA-N 314.349 -0.349 30 20 DBED Cc1ccnc(C(=O)N(CCO)CCNC(=O)C#CC(C)C)n1 1057465189 ASPVENMDXJMNRS-UHFFFAOYSA-N 318.377 -0.005 30 20 DBED CC#CCCCC(=O)NCCN(CCO)C(=O)[C@H]1CCNC1=O 1058297076 XOGHHNYNGXJGKC-ZDUSSCGKSA-N 323.393 -0.747 30 20 DBED CC(=O)N1CCC[C@@H]1C(=O)NCCN(CCO)C(=O)[C@H](C)C#N 1058660504 BJYPREZGSVDWCM-DGCLKSJQSA-N 324.381 -0.906 30 20 DBED C[C@H](C#N)C(=O)NCC[C@@H]1CCN(C(=O)c2cnn(C)n2)C1 1059931397 VOMXJHKTRYWZQQ-GHMZBOCLSA-N 304.354 -0.057 30 20 DBED N#Cc1nc(=NC[C@H]2CCN(C(=O)[C@H]3CCC(=O)N3)C2)cc[nH]1 1060826817 HCBKYKNMYFJDAH-GHMZBOCLSA-N 314.349 -0.691 30 20 DBED C#CCNC(=O)CC(=O)N1CCOC[C@@H]1CNC(=O)C1CCC1 1061152154 SSQIHMJPPDUETO-ZDUSSCGKSA-N 321.377 -0.730 30 20 DBED C=CCOCC(=O)NC[C@@H]1COCCN1C(=O)COCC 1061421926 XHYJMJFKEOGVGC-GFCCVEGCSA-N 300.355 -0.431 30 20 DBED C=CCOCC(=O)NC[C@H]1COCCN1C(=O)Cc1cnc[nH]1 1061424473 VEPRNKYZSDOTLB-ZDUSSCGKSA-N 322.365 -0.502 30 20 DBED CC(C)C#CC(=O)NCC1(NC(=O)CS(C)(=O)=O)CCC1 1062958062 AFSJSOGNNXUBDY-UHFFFAOYSA-N 314.407 -0.155 30 20 DBED CN(C(=O)Cc1nc[nH]n1)[C@H]1CCN(c2ccc(C#N)nn2)C1 1062976670 RFMOAHIORIHBEP-NSHDSACASA-N 312.337 -0.254 30 20 DBED N#Cc1nccnc1N1C[C@H]2C[C@H]1[C@H]2NC(=O)c1ccc(O)nn1 1064215559 GALGTYRVRDZYFJ-WLTAIBSBSA-N 323.316 -0.149 30 20 DBED N#Cc1ccc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)c2c[nH]c(=O)cn2)nn1 1064334379 QWUJCYJWANRPSA-YKHWKNEFSA-N 323.316 -0.561 30 20 DBED C=CCOCC(=O)NC1(CNC(=O)Cc2nc[nH]n2)CCC1 1064605057 GNRCIDNPRIFDLX-UHFFFAOYSA-N 307.354 -0.295 30 20 DBED Cc1nnc(CC(=O)N2CCO[C@H](CNC(=O)[C@@H](C)C#N)C2)o1 1065113514 JUKALFOEIJXZCL-GXSJLCMTSA-N 321.337 -0.576 30 20 DBED CC(C)C#CC(=O)N1CCO[C@H](CNC(=O)[C@@H]2CCNC2=O)C1 1065127461 YVNINEJOPUTMEM-CHWSQXEVSA-N 321.377 -0.875 30 20 DBED O=C(C#CC1CC1)N1CCO[C@@H](CNC(=O)[C@]2(F)CCOC2)C1 1065136860 IILXDTFIADIVKJ-BBRMVZONSA-N 324.352 -0.128 30 20 DBED C#CCO[C@H](C)C(=O)N1CCO[C@@H](CNC(=O)c2cocn2)C1 1065153495 XJUQCTKOVJVYST-NEPJUHHUSA-N 321.333 -0.330 30 20 DBED C=CCC(C)(C)C(=O)N1CCOC2(CN(C(=O)CC(N)=O)C2)C1 1068398559 WLCILULASBNDOA-UHFFFAOYSA-N 323.393 -0.096 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1COC2(C1)CN(C(=O)CC)C2 1068819493 JWRYSGPINVANOF-LLVKDONJSA-N 307.350 -0.978 30 20 DBED C=C[C@](C)(CC)C(=O)N[C@@H]1COC2(C1)CN(C(=O)C(N)=O)C2 1069017238 JLPWZNKKPYBIJD-IINYFYTJSA-N 309.366 -0.440 30 20 DBED C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1 1070029070 SZDZIOSWIVCPTC-NDBYEHHHSA-N 304.354 -0.432 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)[C@@H]4CC(=O)N(C)C4)C[C@@]3(C1)O2 1070806134 DHNLPZFOZMCHHH-VMUDFCTBSA-N 317.389 -0.600 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)[C@@H]2CCCCO2)CC1 1070955029 HGLDFYXFRQHTMH-AWEZNQCLSA-N 307.394 -0.161 30 20 DBED C#CCCN1CCNC(=O)CCN(C(=O)Cc2cnc[nH]2)CC1 1071004571 KNKVSZXZBKQOPG-UHFFFAOYSA-N 317.393 -0.374 30 20 DBED C#CCCCC(=O)N[C@H]1CN(C(=O)Cn2cnnc2O)C[C@@H]1C 1071943438 OPWOXZXEQSZKGJ-RYUDHWBXSA-N 319.365 -0.250 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CCN(C(=O)CCNC(N)=O)CC1(C)C 1073486504 CSGBVKUOVKWGQP-WDEREUQCSA-N 323.397 -0.052 30 20 DBED CC#CCN1CCCO[C@@H](CNC(=O)c2c[nH]c(C(N)=O)c2)C1 1073890917 JSVSAFCUSMNZLV-ZDUSSCGKSA-N 318.377 -0.042 30 20 DBED C=CCOCC(=O)N1CCC(O)(CNC(=O)COCC)CC1 1074515854 PTTQBFQNTXWHAY-UHFFFAOYSA-N 314.382 -0.305 30 20 DBED C[C@@H](CCNC(=O)c1c[nH]c(C#N)c1)NC(=O)[C@H]1C[C@H]1C(N)=O 1076216814 PXMJKPYPZPKICA-AXTRIDKLSA-N 317.349 -0.368 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)c1cnccn1 1076220171 RKMCLNSDAYEQGB-NSHDSACASA-N 317.349 -0.759 30 20 DBED Cn1ccnc1CN1C[C@@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 1076854825 UJCKUTLLUVVINU-CHWSQXEVSA-N 314.349 -0.405 30 20 DBED C=CCCC(=O)N1CCOC2(CCN(C(=O)C(N)=O)CC2)C1 1079137670 RIKBHCYUVYAYIR-UHFFFAOYSA-N 309.366 -0.342 30 20 DBED C=CCO[C@H](C)C(=O)N1CC(N(CC)C(=O)CNC(N)=O)C1 1079284175 AQDUACVSFZTDAC-SNVBAGLBSA-N 312.370 -0.695 30 20 DBED C#CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)Cn2cccn2)C1 1079770717 KXRGWRVKQBNGMO-CYBMUJFWSA-N 318.377 -0.019 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2[nH]cnc2C)C[C@H]1O 1081341276 OQXPSSFUEWXDPW-NWDGAFQWSA-N 322.365 -0.530 30 20 DBED C=C(C)CCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CC(=O)NC)C1 1081433113 GMVXEVNNLMKZQR-NWDGAFQWSA-N 311.382 -0.586 30 20 DBED C=CCCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cnnn2C)C1 1081448111 WJYYFEMZYSEPHP-WCQYABFASA-N 321.381 -0.280 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)c2cccnn2)C[C@H]1O 1081462847 GGPCXKCLKUJDCM-GXTWGEPZSA-N 316.361 -0.315 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1081471502 OIEAHIWFSFHEIW-LSDHHAIUSA-N 300.358 -0.251 30 20 DBED CC#CCN1C[C@@H](NC(=O)[C@@H](C)N2C(=O)CCC2=O)[C@H](OC)C1 1081759190 RVLSELXALPWCSD-JHJVBQTASA-N 321.377 -0.637 30 20 DBED C#CCCN1C[C@@H](NC(=O)c2cncc(OC)n2)[C@H](OC)C1 1082205176 NPBZSCWDZVARNP-CHWSQXEVSA-N 304.350 -0.063 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)C[C@@H]1CCCCC(=O)N1 1083259195 PXVUSTDBXFZYBA-MELADBBJSA-N 320.393 -0.130 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)Cn2ncc3cc(C)cnc32)C1 1083646410 BLZDUCFGSDXBJR-KGLIPLIRSA-N 313.361 -0.466 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCc3nc(C)nn3C2)C1 1083662757 IIERIKZXMHYHDT-MJBXVCDLSA-N 319.409 -0.114 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1083663154 ADKUHLWQTBTQOB-SBJFKYEJSA-N 310.394 -0.225 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)c2cnc(O)n2C)C1 1083699315 SPTBQMVPSHIENN-SCZZXKLOSA-N 300.746 -0.347 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)C(C)(C)c2cnn(C)c2)C1 1083903852 YROKQZVSMSMTMJ-KGLIPLIRSA-N 304.394 -0.118 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCc3nn[nH]c3C2)C1 1083949878 QRTUWOYOBCGIKG-HONMWMINSA-N 305.382 -0.353 30 20 DBED C#CCN1CC[C@@H]1CN(C)C(=O)C1CC2(C1)NC(=O)NC2=O 1085868228 JUPCVVMXTBVKJS-LOIXOFCESA-N 304.350 -0.860 30 20 DBED C#CCCN1C[C@H]2[C@H]3CC[C@@H]([C@H]2C1)N(C(=O)Cn1cnnn1)C3 1089769042 HSFAIXCFOHPLDZ-AJNGGQMLSA-N 314.393 -0.135 30 20 DBED C=CCN1CC[C@H](NC(=O)c2ccn(CCN(C)C)n2)[C@H](O)C1 1090271460 IODIIQJPHLCALF-DZGCQCFKSA-N 321.425 -0.204 30 20 DBED COC(=O)c1cnc(N2C[C@H](O)[C@H](NC(=O)[C@H](C)C#N)C2)nc1 1091078888 FVDOEPYQTCVDCX-IEBDPFPHSA-N 319.321 -0.911 30 20 DBED CC(=O)NCC(=O)NC[C@H]1C[C@@H](Nc2nccnc2C#N)C1 1091305085 MVEUIVOZCSNHSL-PHIMTYICSA-N 302.338 -0.209 30 20 DBED C=CCCN1C[C@@H]2CN(C(=O)CN3CC(=O)NC3=O)C[C@]2(C)C1 1092102868 CZDMLZYMGZRCBB-WBMJQRKESA-N 320.393 -0.105 30 20 DBED CC[C@@H](NC(C)=O)C(=O)N1CCN(c2ccc(C#N)nn2)CC1 1093196866 LQPJTSURDFICNV-CYBMUJFWSA-N 316.365 -0.088 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@H]2CN(c3ncc(F)cn3)C[C@H]12 1093265472 GHPWNMSTCIMQAO-QWRGUYRKSA-N 317.324 -0.694 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(OC2CN([C@@H]3CCNC3=O)C2)CC1 1093517666 VZTFXSCHODCNBZ-SMDDNHRTSA-N 320.393 -0.274 30 20 DBED C#CCN1CC(OC2CCN(C(=O)[C@@H]3CCN(C)C3=O)CC2)C1 1093561319 IMSZIJJRDGYHDQ-OAHLLOKOSA-N 319.405 -0.210 30 20 DBED Cc1nc(O)c(C(=O)NCCN=c2cc[nH]c(C#N)n2)nc1C 1093944840 HTKQWIYGIUZIBK-UHFFFAOYSA-N 313.321 -0.275 30 20 DBED N#Cc1cc(C(=O)NCCCNc2nccn3nnnc23)c[nH]1 1094397418 UYRUTCUWLSSDRR-UHFFFAOYSA-N 311.309 -0.049 30 20 DBED C=CCN1CCN(C(=O)Cc2cnc[nH]2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094665256 UROVTLNGHCIFGF-QWHCGFSZSA-N 324.406 -0.552 30 20 DBED C=C(C)CN1CC(N2C[C@@H](NC(=O)c3cn(C)nn3)CC2=O)C1 1094729437 CKZJZQUVUMJGEY-NSHDSACASA-N 318.381 -0.594 30 20 DBED N#Cc1cnc(NCCCNC(=O)[C@H]2CNC(=O)N2)c(F)c1 1094749438 AZZXIRDGHRGRQR-SNVBAGLBSA-N 306.301 -0.308 30 20 DBED C[C@]1(C(=O)N[C@H]2CC(=O)N(C3CN(CC#N)C3)C2)CCCOC1 1094802458 ARMRQHBHYWIWGC-LRDDRELGSA-N 320.393 -0.272 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](N(C)c2ncc(F)cn2)C1 1095109897 AHVSVJPSWLLFKH-LBPRGKRZSA-N 319.340 -0.208 30 20 DBED CN(CCCNC(=O)c1cnnn1C)c1ccc(C#N)nn1 1095537589 YBVCKYFOKKHZGC-UHFFFAOYSA-N 300.326 -0.267 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CCN(c2nccnc2F)C1 1096360570 OVNDCIPMDBHKTA-JTQLQIEISA-N 305.313 -0.550 30 20 DBED CC(=O)NC(C)(C)C(=O)N[C@H]1C[C@H](N=c2cc[nH]c(C#N)n2)C1 1097046275 YTWBZDHTFPXKTN-XYPYZODXSA-N 316.365 -0.256 30 20 DBED CC(C)C[C@@H](C(N)=O)C(=O)NC[C@@H](C)N=c1cc[nH]c(C#N)n1 1097935499 ZDQSVFDNXKSPRF-MNOVXSKESA-N 318.381 -0.166 30 20 DBED C[C@@H](CNC(=O)c1cnn2cc[nH]c12)N=c1cc[nH]c(C#N)n1 1097983442 TZUIDHFURFJYTQ-VIFPVBQESA-N 310.321 -0.024 30 20 DBED C=CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1CCC(=O)NC1=O 1098166024 WFTSPOUCLNXDOF-UTUOFQBUSA-N 306.366 -0.164 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CC(=O)N(C)C1)N=c1cc[nH]cc1C#N 1098346340 OPHAPCKRXBEDRU-WDEREUQCSA-N 301.350 -0.230 30 20 DBED COc1cc(C(=O)NC[C@@H](C)N=c2cc[nH]c(C#N)n2)nn1C 1098407511 UOOGHDSFOFEGRH-SECBINFHSA-N 315.337 -0.257 30 20 DBED C#CCCN(CCO)C1CCN(C(=O)[C@@]2(C)CCNC2=O)CC1 1098478183 ZPIIOGQFLRNDGC-KRWDZBQOSA-N 321.421 -0.179 30 20 DBED CNC(=O)CC(=O)N1CCC[C@H](N(C)c2cnc(C#N)cn2)C1 1098683708 HVHGJFBXLUGTLJ-LBPRGKRZSA-N 316.365 -0.088 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2cnn(C)c2C)[C@@H](O)C1 1099663955 WNQSSPORKHIHIB-CABCVRRESA-N 320.393 -0.457 30 20 DBED Cc1cc(C#N)nc(N[C@H](C)CCNC(=O)[C@@H]2CNC(=O)N2)n1 1099682939 RUCKZVPEUKIJEP-KCJUWKMLSA-N 317.353 -0.355 30 20 DBED C#CCN1CC[C@@H](NC(=O)CCCN2C(=O)CCC2=O)[C@H](O)C1 1099864708 UEIIKFNWOWGABI-CHWSQXEVSA-N 321.377 -0.900 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)C2(C)CC=CC2)[C@H](O)C1 1099979613 XRLCPPZFJPNSHF-ZIAGYGMSSA-N 319.405 -0.357 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)Cc2ccc[nH]2)[C@H](O)C1 1100113600 COXAEOAIIUEGOI-UONOGXRCSA-N 320.393 -0.589 30 20 DBED C=CCCC(=O)NCC1CC(NCC(=O)N2CCNC(=O)C2)C1 1100171906 PLRJRXDWYLEQHT-UHFFFAOYSA-N 322.409 -0.605 30 20 DBED CCN(CCNC(=O)Cc1nc[nH]n1)c1ccnc(C#N)n1 1100611497 CKKCJBZOZHFJSB-UHFFFAOYSA-N 300.326 -0.348 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CCCN1c1ccc2nnnn2n1 1100809766 INEFYTNVJAQFSB-ZJUUUORDSA-N 300.326 -0.236 30 20 DBED CN1CC[C@@H](CC(=O)NCC2CC(NCC(=O)NCC#N)C2)C1 1100873113 VCAHJNYNNIXEND-HSBZDZAISA-N 321.425 -0.548 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)[C@@H]2CCN(C)C2)C1 1100980905 LUDDJJCGDLHNHL-ROKHWSDSSA-N 306.410 -0.828 30 20 DBED CNC(=O)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@H](C)C#N)C1 1102785790 MGNNAHUQSMEOLZ-IJLUTSLNSA-N 323.397 -0.324 30 20 DBED CC[C@H](CNC(=O)CCn1cnnn1)Nc1ccc(C#N)nn1 1103173756 PWYUMWXZFLCEMX-SNVBAGLBSA-N 315.341 -0.268 30 20 DBED C#CCNC(=O)CC(=O)N(C)[C@H](C)CNc1cnc(C#N)cn1 1104530370 NJSRQHWBVQYKDV-LLVKDONJSA-N 314.349 -0.253 30 20 DBED Cn1cc(C(=O)NC[C@@H](O)CNc2ccc(C#N)nc2)nn1 1105815017 CTNOKRBZWCLQBK-NSHDSACASA-N 301.310 -0.715 30 20 DBED N#Cc1cnc(NC[C@H](O)CNC(=O)c2nc[nH]n2)c(F)c1 1105932752 VJZSWLXTYRFYGT-QMMMGPOBSA-N 305.273 -0.587 30 20 DBED CCn1cc(C(=O)NC[C@H](O)CNc2ccc(C#N)nc2)nn1 1105953943 LBNVXSAEWBOALN-GFCCVEGCSA-N 315.337 -0.233 30 20 DBED C[C@@H](CC(F)F)C(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1 1106024088 LFDWPAPIDCPDLJ-IUCAKERBSA-N 313.308 -0.050 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@@H](C)[C@H](CNCC(=O)N2CCC2)C1 1106111267 KQQGIRHQDOMPKT-QLFBSQMISA-N 321.421 -0.059 30 20 DBED C[C@@H](CCNc1cnc(C#N)cn1)NC(=O)CS(C)(=O)=O 1106239000 JCOVEZIEXRNPNG-VIFPVBQESA-N 311.367 -0.300 30 20 DBED C[C@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)[C@H]1CCC(=O)NC1 1106635535 USKZDBKROAYKFJ-MNOVXSKESA-N 316.365 -0.397 30 20 DBED CCN(CCNc1nccnc1C#N)C(=O)[C@@H]1CN(C)CCO1 1106709941 NYKJRQNFCKXHLM-ZDUSSCGKSA-N 318.381 -0.061 30 20 DBED C#CCNC(=O)CN1CCO[C@](C)(CNC(=O)CC2CC2)C1 1107681697 NMZFLFPOZQZCQF-MRXNPFEDSA-N 307.394 -0.257 30 20 DBED CNC(=O)C1(C(=O)N[C@H](C)CNc2nccnc2C#N)CC1 1107829654 JEHJUIQMLGUVEL-SECBINFHSA-N 302.338 -0.209 30 20 DBED C/C=C(\C)C(=O)NC[C@]1(C)CN(CC(=O)NCC#N)CCO1 1107851690 ATVRGHCNESGHDW-HETKQVNLSA-N 308.382 -0.201 30 20 DBED C=CCCOCC(=O)NC[C@@]1(C)CN([C@@H](C)C(N)=O)CCO1 1108429402 HFAOCHORTLLCNS-WFASDCNBSA-N 313.398 -0.340 30 20 DBED C[C@@H](CNc1cncc(C#N)n1)NC(=O)CCN1CCOCC1 1108442597 XSBTYAVKPKWGMV-LBPRGKRZSA-N 318.381 -0.013 30 20 DBED COc1nn(C)cc1C(=O)N[C@@H](C)CN=c1cc[nH]c(C#N)n1 1108652472 CHLXGNQOMQECFW-VIFPVBQESA-N 315.337 -0.257 30 20 DBED C[C@@H](CNc1ccc(C#N)nn1)NC(=O)[C@H]1CC(=O)N(C)C1 1108747590 ACHISOOFQXHMND-UWVGGRQHSA-N 302.338 -0.257 30 20 DBED C[C@H](CN(C)c1ncccc1C#N)NC(=O)Cn1cnnc1O 1108944541 DTIMRNLGAZGOEA-SNVBAGLBSA-N 315.337 -0.109 30 20 DBED CCNC(=O)CC(=O)N[C@@]1(C)CCN(c2cncc(C#N)n2)C1 1110744110 UOVIHCQGHWHIFN-HNNXBMFYSA-N 316.365 -0.041 30 20 DBED CC1(CNC(=O)C(N)=O)CCN(c2cncc(C#N)n2)CC1 1110892863 PXQMAAJWTKYKQA-UHFFFAOYSA-N 302.338 -0.444 30 20 DBED Cc1nsc(N2CC[C@@](O)(CNC(=O)CC(N)=O)C2)c1C#N 1111054122 VPHYUMPDJIDJFI-CYBMUJFWSA-N 323.378 -0.744 30 20 DBED CCN(CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1111169479 VWOFDTOVUWPMAJ-MCIONIFRSA-N 321.425 -0.311 30 20 DBED CN1CCC[C@@H]1C(=O)N(CCO)CCNc1nccnc1C#N 1111429520 ONBFWKMDNAQKRJ-CYBMUJFWSA-N 318.381 -0.325 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(c2ccnc(C)n2)C[C@@H]1O 1112702610 SWJRJUSCVQCYOX-OLZOCXBDSA-N 306.366 -0.099 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCC(=O)N1)N(C)c1ccc(C#N)nn1 1113543685 ZPXHWBYTUSRZPI-GXSJLCMTSA-N 302.338 -0.432 30 20 DBED C[C@@H](CNC(=O)c1cnn(C)c1N)N(C)c1cncc(C#N)n1 1113573084 BYYYHINCNCCBPB-VIFPVBQESA-N 314.353 -0.081 30 20 DBED Cc1nc(N(C)[C@@H](C)CNC(=O)[C@@H]2CNC(=O)N2)ccc1C#N 1113869800 SDILVEBQSFSECL-CABZTGNLSA-N 316.365 -0.116 30 20 DBED COCCCNC(=O)CN1C[C@H]2C(NC(=O)C#CC3CC3)[C@@H]2C1 1114253020 GTBFQDUTWLJZFM-ZIAGYGMSSA-N 319.405 -0.401 30 20 DBED Cc1occc(=O)c1OCC(=O)NC1[C@@H]2CN(CC#N)C[C@@H]12 1114554037 YIIBAWFIFQXLAW-GHMZBOCLSA-N 303.318 -0.103 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)CCN(C)CC)[C@H]2C1 1115073947 FDCTXIDFEYCGJW-STQMWFEESA-N 308.426 -0.323 30 20 DBED N#CCN1C[C@H]2C(NC(=O)COc3ccc(C(N)=O)cc3)[C@@H]2C1 1115261274 NMQBTPJBZNCLBS-CHWSQXEVSA-N 314.345 -0.266 30 20 DBED C[C@H](NC(=O)c1ccco1)C(=O)NC1[C@H]2CN(CC#N)C[C@H]12 1115268278 SULDKLWZYDNICF-DCAQKATOSA-N 302.334 -0.032 30 20 DBED N#CCN1C[C@H]2C(NC(=O)CNC(=O)NCc3ccco3)[C@@H]2C1 1115288561 UVWNENZQYOIOOT-VXGBXAGGSA-N 317.349 -0.351 30 20 DBED C[C@@H](CO)C1CCN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)CC1 1118323154 CXHAZLBDTWKFEG-BLLLJJGKSA-N 323.393 -0.270 30 20 DBED Cc1cc(C(=O)NC[C@@H](CO)Nc2cncc(C#N)n2)n(C)n1 1121150526 MVZWTZZHIQYUCS-NSHDSACASA-N 315.337 -0.407 30 20 DBED Cc1ncc(C(=O)NC[C@@H](CO)N=c2cc[nH]c(C#N)n2)s1 1121170882 DQTXYXOYCSELIF-VIFPVBQESA-N 318.362 -0.262 30 20 DBED C[C@@H](C(=O)NC[C@H](CO)N=c1cc[nH]cc1C#N)n1cccn1 1121211861 ABARNWRNINITLA-WCQYABFASA-N 314.349 -0.278 30 20 DBED Cc1nc[nH]c1C(=O)NC[C@H](CO)Nc1cnc(C#N)cn1 1121724572 RCSAXITURSQJSY-SNVBAGLBSA-N 301.310 -0.417 30 20 DBED C[C@@H]1[C@H](Nc2ccc(C#N)nn2)CCN1C(=O)CNC(N)=O 1122930444 JTAMAHWGCXLLJA-PSASIEDQSA-N 303.326 -0.582 30 20 DBED COCCOCC(=O)N1C[C@H](N=c2cc[nH]c(C#N)n2)C[C@H]1C 1123178102 GHFDRVXJACCENT-VXGBXAGGSA-N 319.365 -0.166 30 20 DBED CN(C[C@H](O)CNc1cncc(C#N)n1)C(=O)c1nc[nH]n1 1124460541 OGYACKPULODKII-SECBINFHSA-N 302.298 -0.989 30 20 DBED C=CCOCC(=O)NCCNCC(=O)NC(=O)NC(C)(C)C 1124768157 VDMRFGAXKGHXCK-UHFFFAOYSA-N 314.386 -0.481 30 20 DBED C#CCNC(=O)CC(=O)NCCNCC(=O)N[C@@H](C)CCC 1125998288 OEYHMWOLWKPXOI-LBPRGKRZSA-N 310.398 -0.864 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@]1(CC)CCNC1=O 1129875783 YRTKFKFMCYJBGQ-IAQYHMDHSA-N 310.398 -0.701 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cnn(C(C)(C)C)c1 1130697382 PUGMSNVWRLKEAM-UHFFFAOYSA-N 305.382 -0.293 30 20 DBED C=CCOCC(=O)N[C@H]1CC[C@H](C)N(CC(=O)NC(N)=O)C1 1131946823 NMBPCJODHBXASC-QWRGUYRKSA-N 312.370 -0.647 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CC[C@H](C)N(Cc2cnon2)C1 1131979923 DQBDYYYWLLEBCH-NWDGAFQWSA-N 319.365 -0.322 30 20 DBED C=CCNC(=O)CN1C[C@H](NC(=O)C(C)(C)C(N)=O)CC[C@@H]1C 1132120132 MSQIRIUAFKREBI-NWDGAFQWSA-N 324.425 -0.231 30 20 DBED C#Cc1cncc(C(=O)NCCNCCNS(=O)(=O)CC)c1 1133597272 LMRQSBOEHPLCMH-UHFFFAOYSA-N 324.406 -0.678 30 20 DBED C[C@@H](C[C@H](C)NC(=O)CNC(=O)C1CC1)NCC(=O)NCC#N 1133774744 QZIINTRORKMZAX-QWRGUYRKSA-N 323.397 -0.975 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)c1c[nH]c(=O)cn1 1135320032 IDUWQHOUBGXZAP-WDEREUQCSA-N 319.365 -0.994 30 20 DBED C#CCCN[C@@H](C)C[C@H](C)NC(=O)CNS(=O)(=O)N(C)C 1135568438 NLGGDUKNTJLVCX-RYUDHWBXSA-N 318.443 -0.721 30 20 DBED Cc1ccnn1CC(=O)N[C@@H](C)C[C@@H](C)NCC(=O)NCC#N 1135575176 BSLMVFXPFXNPNS-NEPJUHHUSA-N 320.397 -0.296 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1nnn(C(C)C)c1C 1135989098 WMRHBQAZFPDALE-UHFFFAOYSA-N 306.370 -0.764 30 20 DBED C=CCN1CCC2(C1)CN(C(=O)CS(=O)(=O)CCOC)C2 1147793270 BCBDPQJDJPBFNF-UHFFFAOYSA-N 316.423 -0.232 30 20 DBED N#CCNC(=O)CN1CCC2(C1)CN(C(=O)Cc1cnoc1)C2 1148117539 VOUJIIBDVLDMSL-UHFFFAOYSA-N 317.349 -0.609 30 20 DBED COCC#CCNCCNC(=O)c1cc2c(O)ncnc2cn1 1149333004 NXZHQGADFGRUAR-UHFFFAOYSA-N 315.333 -0.300 30 20 DBED C#CCN1CCC(C(=O)NCCNCC(=O)N(C)CC)CC1 1152329755 ANVDNJOFZOCCDZ-UHFFFAOYSA-N 308.426 -0.484 30 20 DBED C=CCN(CC)[C@H](C)CNC(=O)Cn1ccc(=O)n(C)c1=O 1153710463 VAKUWTBINOXZIR-GFCCVEGCSA-N 308.382 -0.440 30 20 DBED CC#CCN1CCC(CNC(=O)[C@H](C)NC(N)=O)(COC)CC1 1162229918 GJNXGMKWPJVATH-ZDUSSCGKSA-N 324.425 -0.089 30 20 DBED N#CCNC(=O)CNCC1(CCNC(=O)c2ccon2)CC1 1163604582 SOPUIUXWLSPZEQ-UHFFFAOYSA-N 305.338 -0.196 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)c1ccc(C(N)=O)[nH]1 1166839011 YQVRTDGROOSLKJ-JTQLQIEISA-N 321.381 -0.486 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)Cn1nccc1C 1167449375 PZLGXWYQUQUOHA-CYBMUJFWSA-N 305.382 -0.575 30 20 DBED CO[C@H](C(=O)N1CC[C@H]2CN(CC(=O)NCC#N)C[C@H]21)C1CC1 1187715008 YIIACOACWYDKOH-GUTXKFCHSA-N 320.393 -0.416 30 20 DBED C#CCCN(C)[C@H]1CCN(C(=O)CCn2ncn(C)c2=O)C1 1191508809 ZSTGEHKDVJUXTB-ZDUSSCGKSA-N 305.382 -0.472 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C[C@H](C)C(C)C)C1 1191667356 FPLDEGLESFWQMI-BFHYXJOUSA-N 309.410 -0.421 30 20 DBED C#CCCCCC(=O)N[C@@H]1CN(CCNC(=O)C2CC2)C[C@H]1O 1192328702 KUGIBEUJIYSDSY-HUUCEWRRSA-N 321.421 -0.133 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H](F)C(C)C)C1 1195422777 LAUDGMZZEFUWJD-NQBHXWOUSA-N 301.362 -0.556 30 20 DBED C=CCC[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)CCn2cnnn2)C1 1197160266 AIMOKYIPOIBMLQ-JHJVBQTASA-N 308.386 -0.421 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(Cc2cn(C)nc2C)C[C@H]1O 1199292870 VJUPWXXRRQPLHT-HUUCEWRRSA-N 322.409 -0.017 30 20 DBED C#CCCNC[C@H]1CN(C(=O)[C@@H]2CCC(=O)NC2)CCCO1 1200866873 ZBWIVUAGQOKWGG-KGLIPLIRSA-N 307.394 -0.257 30 20 DBED Cn1ncnc1COCC(=O)N[C@@H]1C[C@H](NCC#N)C12CCC2 1203557489 NYTJNPUJEKESGV-NWDGAFQWSA-N 318.381 -0.128 30 20 DBED N#CCNC(=O)CNCC1CCN(C(=O)Cn2cccn2)CC1 1204470509 RKEUOKAYPNDPDO-UHFFFAOYSA-N 318.381 -0.649 30 20 DBED C=CCOCC(=O)N1CCC[C@@H](N[C@@H](C)C(=O)NC(N)=O)C1 1207680230 KQWIGLXOHQYYSZ-WDEREUQCSA-N 312.370 -0.647 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)c2ccnn2CC)C1 1207886541 ZSRJPNBAQPCKOP-ZDUSSCGKSA-N 317.393 -0.153 30 20 DBED C#CCCN[C@H]1CCCN(C(=O)c2cn(C)c(=O)n(C)c2=O)C1 1209920823 KRCZAULXYNVUCS-LBPRGKRZSA-N 318.377 -0.699 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)CC[C@]1(C)CCC(=O)N1 1214005015 CYMLOCBYDWFLHC-LALPHHSUSA-N 308.382 -0.226 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)CC2CCOCC2)C[C@H]1C 1214370055 IOUXCHSQMNNUOH-UKRRQHHQSA-N 321.421 -0.011 30 20 DBED C=CCCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)Cn1cnnc1O 1217658702 KWYAZWIYGHMGDQ-QWHCGFSZSA-N 321.381 -0.139 30 20 DBED Cc1cc(COCC(=O)N2CCO[C@@H]3CN(CC#N)C[C@@H]32)no1 1218162933 WYEOSWYYOIPNHZ-UONOGXRCSA-N 320.349 -0.065 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)/C=C(/C)C2CC2)C1 1219283919 FVGTUCHFAGPTAL-HNCBZDRCSA-N 319.405 -0.358 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CN(CCOCC(F)(F)F)C[C@@H]1O 1219383282 JDRIZYXNUSCVKJ-BBBLOLIVSA-N 309.288 -0.114 30 20 DBED C#CCCCCC(=O)N[C@@H]1CN(CC(=O)NC2CC2)C[C@@H]1O 1219482133 MIRBNRLCXQJLSJ-KGLIPLIRSA-N 307.394 -0.380 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C2(C3CC3)CC2)C1 1219851664 ZYECXLURXHMYFU-OLZOCXBDSA-N 307.394 -0.360 30 20 DBED C=C(C)C(C)(C)C(=O)N[C@@H]1CN([C@H]2CCN(C)C2=O)C[C@@H]1O 1220133547 DWANKNOAPRFXKK-AGIUHOORSA-N 309.410 -0.019 30 20 DBED C=CCCCN1C[C@H](O)[C@H](NC(=O)c2ccc(=O)n(C)n2)C1 1220913872 RITORMQDZYRZHS-OLZOCXBDSA-N 306.366 -0.479 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)C[C@@](C)(O)C=C)[C@@H]2C1 1221517831 LCHCAJNSHWIAPT-CPUCHLNUSA-N 319.405 -0.404 30 20 DBED CC(C)C#CC(=O)NCC[C@H]1CN(CC#N)CCS1(=O)=O 1230460638 SDDGFUBQESZQIG-ZDUSSCGKSA-N 311.407 -0.225 30 20 DBED C#CCN1CCS(=O)(=O)[C@@H](CCNC(=O)C#CC2CC2)C1 1230461810 GWGNAJBPEBLQJY-AWEZNQCLSA-N 308.403 -0.362 30 20 DBED Cc1cnc(C(=O)N(C)C[C@H]2CCN2CC(=O)NCC#N)cn1 1230646017 FQPXDHYDWZYINW-GFCCVEGCSA-N 316.365 -0.429 30 20 DBED COCC#CCN1CC[C@H]1CN(C)C(=O)Cn1cnnc1O 1233848428 XPKUFOUIHUEJKH-LBPRGKRZSA-N 307.354 -0.834 30 20 DBED COCCCN(C)CCNC(=O)C(=O)N1CCC[C@@H](C#N)C1 1262262624 SPVDBUAVJPJSPU-ZDUSSCGKSA-N 310.398 -0.167 30 20 DBED C=C[C@H](C)NC(=O)C(=O)Nc1cnn(CC(=O)NC2CC2)c1 1322688179 JZUSVSMOFKFJEY-VIFPVBQESA-N 305.338 -0.209 30 20 DBED C#CCCCNC(=O)C(=O)NC1CCN(S(C)(=O)=O)CC1 1323212796 HESZCGMFMNFPCO-UHFFFAOYSA-N 315.395 -0.944 30 20 DBED C=CCN(C)C(=O)C(=O)NCC1CCN(S(C)(=O)=O)CC1 1323601229 DADSUVBFDKJWFT-UHFFFAOYSA-N 317.411 -0.581 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cncc(F)c1 1325145288 IJYVDZOWJDXTQB-UHFFFAOYSA-N 315.326 -0.124 30 20 DBED C=CCn1cc(CNC(=O)C(=O)NC[C@@H]2CC[C@H](C)O2)nn1 1326253505 YCHCKCWUUMPOFN-JQWIXIFHSA-N 307.354 -0.236 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)C(=O)N2CCOC[C@H]2C2CCC2)C1 1328445202 OZPNOGDNOMDRAM-XJKSGUPXSA-N 321.377 -0.109 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)N2CCC(CCO)CC2)C1 1328446898 ZLUQIUPOYKSJEN-HNNXBMFYSA-N 309.366 -0.516 30 20 DBED N#C[C@H]1CC[C@@H](NC(=O)C(=O)N2CCN([C@@H]3CCOC3)CC2)C1 1328527695 ZHMCIYUKSHPQEA-BFHYXJOUSA-N 320.393 -0.272 30 20 DBED N#CC1CCN(C(=O)C(=O)NCCN2C(=O)CCC2=O)CC1 1328855219 MWWVIGVWVQODKE-UHFFFAOYSA-N 306.322 -0.986 30 20 DBED CC(C)[C@H]1CN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)CCO1 1329451814 DAUBCSKEDLEJKB-DOMZBBRYSA-N 309.366 -0.253 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)NCCOC2CCC2)CCN1C1CC1 1331025898 KLCLTVODGAEUCM-ZDUSSCGKSA-N 320.393 -0.130 30 20 DBED CN(C)C(=O)NCCN(C)C(=O)C(=O)N[C@@H]1CC[C@H](C#N)C1 1332058204 NBOUHDMAGHCFMF-WDEREUQCSA-N 309.370 -0.476 30 20 DBED C=CC[C@@H](NC(=O)C1CN(S(C)(=O)=O)C1)C(=O)OCC 1332559593 XWJMEWHHGWHHTP-SNVBAGLBSA-N 304.368 -0.498 30 20 DBED C=CCN(C(=O)C(=O)N1CCO[C@H]([C@@H](C)N)C1)[C@H](C)COC 1333652995 CKNMAIYSVJDBKS-UPJWGTAASA-N 313.398 -0.390 30 20 DBED C=CC[C@@H](NC(=O)[C@]1(OC)CCS(=O)(=O)C1)C(=O)OCC 1339407927 GHVHHHYZCDALRH-MFKMUULPSA-N 319.379 -0.186 30 20 DBED C#CC1(O)CN(C(=O)NC2CCN(C[C@@H]3CCOC3)CC2)C1 1342977668 FITOHAMGLQYDKX-ZDUSSCGKSA-N 307.394 -0.123 30 20 DBED CC(=O)NC[C@H]1CCn2ncc(C(=O)NCC#CCO)c2C1 1348455022 XHBHYUWLTZCYJN-LBPRGKRZSA-N 304.350 -0.693 30 20 DBED CC(C)(C)N1CC[C@@H](NC(=O)Cn2cc(C#N)c(O)nc2=O)C1 1363476881 SFGGSSJHFAOUDD-LLVKDONJSA-N 319.365 -0.190 30 20 DBED C[C@H](CNC(=O)CCn1cncn1)NC(=O)c1c[nH]c(C#N)c1 1399939039 NLEUMDHEOIMLEJ-SNVBAGLBSA-N 315.337 -0.197 30 20 DBED CCNC(=O)CCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)C#N 1409190696 XRNWZAMCNFMANR-WOPDTQHZSA-N 306.366 -0.126 30 20 DBED CO[C@@H](C1CC1)[C@@H](C)NC(=O)Cn1cc(C#N)c(O)nc1=O 1412120914 AGLMCEHLBBYODB-PRHODGIISA-N 306.322 -0.250 30 20 DBED C=C(Cl)CNC[C@H](O)CNC(=O)c1nc2ncc(C)cn2n1 1422316228 BSOBNDYFTOKSNP-JTQLQIEISA-N 324.772 -0.134 30 20 DBED CCN(CCNC(=O)c1ccc(=O)n(C)n1)C(=O)[C@@H](C)C#N 1431715038 IFEWDKBYXJAFTD-JTQLQIEISA-N 305.338 -0.482 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1C 1432920596 CITJJMFTSZEQBB-TUAOUCFPSA-N 306.366 -0.126 30 20 DBED Cn1c(=O)[nH]c(NC(C)(C)CCS(C)(=O)=O)c(C#N)c1=O 1434442076 MOCHATFGTVRRHA-UHFFFAOYSA-N 314.367 -0.430 30 20 DBED C[C@@H](CN(C)C(=O)c1cnn(C)n1)NC(=O)c1c[nH]c(C#N)c1 1451140917 SCAKFJNGEAERIS-VIFPVBQESA-N 315.337 -0.095 30 20 DBED N#Cc1cn(CC(=O)N2CCCc3n[nH]cc32)c(=O)nc1O 1467591638 FWYKUWPEIHWHKT-UHFFFAOYSA-N 300.278 -0.477 30 20 DBED CNC(=O)[C@H](Cc1cnc[nH]1)NS(=O)(=O)CC1(C#N)CC1 1475681004 WBWNVKPIMUPKQC-JTQLQIEISA-N 311.367 -0.710 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N2CC[C@@]3(CCOC3=O)C2)CCO1 1475801770 WMJIDBSMKZLYHI-ZYHUDNBSSA-N 315.351 -0.905 30 20 DBED C#CCN(C)c1nnc([C@@]2(O)CCOC2)n1C[C@@H]1CCOC1 1526344797 NWELUZDXKWGGOO-SWLSCSKDSA-N 306.366 -0.008 30 20 DBED CCN(CCNC(=O)c1cnn[nH]1)C(=O)c1ccc(C#N)[nH]1 1528944043 YQHAUEUSMCFBPL-UHFFFAOYSA-N 301.310 -0.103 30 20 DBED Cc1cc(C)n(CC(=O)NC[C@@H](O)CNC(=O)[C@@H](C)C#N)n1 1533297842 CNZWEMXTDOUAAS-JOYOIKCWSA-N 307.354 -0.747 30 20 DBED C=CCNC(=O)CN1CCC[C@H](NC(=O)c2nonc2C)C1 1567781475 WMFXOMXEZMRTHH-NSHDSACASA-N 307.354 -0.126 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1[C@@H]2CN(c3ncccc3-c3nn[nH]n3)C[C@@H]21 1573586184 LIEXGZMCMKDJEN-OHBODLIOSA-N 324.348 -0.028 30 20 DBED CCN(CCN[C@@H](C)C(=O)NCc1cnn[nH]1)C(=O)[C@@H](C)C#N 1576537973 NUXAHJFOONIYOS-QWRGUYRKSA-N 321.385 -0.593 30 20 DBED CNC[C@@H](O)[C@H](C)C(=O)N1CCN(c2ccc(C#N)nc2)CC1 1578641709 XCWXRNJVVMVNNT-SWLSCSKDSA-N 317.393 -0.182 30 20 DBED C=CCCOCC(=O)NCCNc1cnc(-c2nn[nH]n2)cn1 1588616096 VMSFGHUPRINZHN-UHFFFAOYSA-N 318.341 -0.223 30 20 DBED C=CCOC[C@H](NC(=O)C[C@@H]1C=CS(=O)(=O)C1)C(=O)O 1588854009 NWCDYDTVKHQZDP-UWVGGRQHSA-N 303.336 -0.293 30 20 DBED CC[C@H](C)[C@H](NC(=O)Cn1cc(C#N)c(O)nc1=O)C(=O)O 1593609611 HVJSJFGGRNEHPP-XVKPBYJWSA-N 308.294 -0.564 30 20 DBED Cn1c(N2CCCC[C@H]2CC(=O)O)c(C#N)c(=O)n(C)c1=O 1594522561 ZNBQXGDPBSIVDG-VIFPVBQESA-N 306.322 -0.211 30 20 DBED COC(=O)[C@H](CC(=O)O)NS(=O)(=O)CC(C)(C)CC#N 1598693586 FERIMCQQBANWCU-QMMMGPOBSA-N 306.340 -0.138 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C(=O)O)[C@H](C3CC3)C2)CCO1 1605583385 SHGSZVPZZYZILC-GRYCIOLGSA-N 321.333 -0.693 30 20 DBED O=C(O)CC[C@@H]1C[C@@H](C(=O)N[C@H]2CCCN(O)C2=O)CO1 1606107438 KRXXPQZFDHPLFM-BBBLOLIVSA-N 300.311 -0.247 30 20 DBED CSc1nc(O)c(C(=O)NCCn2cnnn2)cc1C#N 1649859098 AOVIFWQOQUQMGI-UHFFFAOYSA-N 305.323 -0.203 30 20 DBED Cc1cn2c(=O)cc(Cn3c(=O)[nH]cc(C#N)c3=O)nc2s1 1652908445 BITSPGCVHXZKRD-UHFFFAOYSA-N 315.314 -0.166 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H](NC(=O)CC(N)=O)[C@H]2C)nn1 1735305951 PQMMCODXKJFOGW-ZJUUUORDSA-N 320.353 -0.941 30 20 DBED C[C@@H](NCC#N)C1CCN(C(=O)CS(=O)(=O)N(C)C)CC1 1753280947 PXEXSTPECIERGP-LLVKDONJSA-N 316.427 -0.382 30 20 DBED C#CCNC(=O)CN1CC(CNC(=O)C[C@H](C)[C@@H]2CCCO2)C1 1753414942 VOMUPYAXPQSJNK-ZFWWWQNUSA-N 321.421 -0.011 30 20 DBED C=CCN1CC[C@H](N[C@H](CC)CNC(=O)CNC(C)=O)C1=O 1753464721 RWWIURBWQOXZIK-OLZOCXBDSA-N 310.398 -0.606 30 20 DBED CCCNC(=O)CN1CCO[C@@H](CNC(=O)C#CC2CC2)C1 1753648172 ANFVTNIHKFNVCL-AWEZNQCLSA-N 307.394 -0.257 30 20 DBED CC(C)[C@H](CNC(=O)CCS(=O)(=O)N(C)C)NCC#N 1753845952 VIJDSWJSVFFTDO-NSHDSACASA-N 304.416 -0.478 30 20 DBED CC#CCNC[C@@H]1CCCN1C(=O)CS(=O)(=O)CCOC 1754613498 MCOWGABVWDTOQA-ZDUSSCGKSA-N 316.423 -0.349 30 20 DBED C=CCNC(=O)CNC[C@@H]1CCCN1C(=O)C[C@H]1CCC(=O)N1 1754618340 DDSSQRICJQSYMG-OLZOCXBDSA-N 322.409 -0.462 30 20 DBED C#CCNC(=O)CN[C@@H](C)[C@H](C)NC(=O)c1cnc(C)nc1C 1755260770 UZMAWQARYGDBRN-QWRGUYRKSA-N 317.393 -0.061 30 20 DBED C=C(C)CCN(C)[C@H](C)CNC(=O)CN1C(=O)C(=O)N(C)C1=O 1755318395 BKIHEDSCBMSRAN-LLVKDONJSA-N 324.381 -0.190 30 20 DBED C=CCNCCC[C@H](C)NC(=O)Cn1ncn2nccc2c1=O 1755518696 SKWVZHFJVXYANC-LBPRGKRZSA-N 318.381 -0.049 30 20 DBED CC#CCNC[C@@H](C1CC1)N(C)C(=O)Cn1c(O)nnc1O 1755571206 CZMYBBCCRIYLEI-NSHDSACASA-N 307.354 -0.461 30 20 DBED CCS(=O)(=O)N[C@@H](C)C(=O)N1C[C@@H](NCC#N)C(C)(C)C1 1755758674 CCFJMEAKPBHJOQ-WDEREUQCSA-N 316.427 -0.336 30 20 DBED COC1CC(C(=O)N[C@H](CO)CNC(=O)CSCC#N)C1 1756503389 GVIZAIWNLSHQRT-YVNMAJEFSA-N 315.395 -0.739 30 20 DBED Cc1nn(C)cc1C(=O)N1C[C@@H](O)[C@H](NC(=O)C#CC(C)C)C1 1756993816 PSEYONJGCPQUMS-ZIAGYGMSSA-N 318.377 -0.311 30 20 DBED CS(=O)(=O)N=S1(=O)CCN(c2ccnc(C#N)n2)CC1 1771785295 ICIIGOVVVVQDTK-UHFFFAOYSA-N 315.380 -0.404 30 20 DBED CN(C)c1ccc(C(=O)O)cc1C=NNCCS(N)(=O)=O 1776046651 AGEUYTGHUQKXKD-UHFFFAOYSA-N 314.367 -0.337 30 20 DBED Cn1ncn(N=Cc2ccc(OCC(=O)O)c([N+](=O)[O-])c2)c1=O 1776112962 RBYJYZPEHANLJE-UHFFFAOYSA-N 321.249 -0.164 30 20 DBED N#CCC(=O)N1CCO[C@]2(CCN(C(=O)c3cnc(O)[nH]3)C2)C1 1779641572 HTMYBMZNVXAVCA-CQSZACIVSA-N 319.321 -0.528 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](N)[C@@H](C)CC)CCO2 1783049788 SNSIBXQHLVBTDO-NOLJZWGESA-N 307.394 -0.177 30 20 DBED C=CCN(CC=C)C(=O)CN1CCN(C(=O)CN(C)C)CC1 51761917 XNVKTHKGECGSGL-UHFFFAOYSA-N 308.426 -0.107 30 20 DBED Cn1c(=O)ccn(CC(=O)Nc2cc(C#N)ccc2O)c1=O 176830804 WQQNUUBSUWHERU-UHFFFAOYSA-N 300.274 -0.237 30 20 DBED CCN1CCC[C@H]1CN/C(N)=N/C[C@@H]1CCS(=O)(=O)C1 261975497 FWMDJRQTCXUJEK-RYUDHWBXSA-N 302.444 -0.190 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CC(C)(C)OC2=O)C1=O 269934768 QDYAEOCOUKDZRT-MRVPVSSYSA-N 323.305 -0.827 30 20 DBED C#CCOc1ccccc1NC(=O)C(=O)N1CCN(C)C(=O)C1 274985335 UBZBWCYNIHOAAL-UHFFFAOYSA-N 315.329 -0.062 30 20 DBED COC(=O)[C@H](NS(=O)(=O)c1ccc(F)cc1C#N)[C@H](C)O 275829102 TXTHPEBKJUJRGU-WRWORJQWSA-N 316.310 -0.102 30 20 DBED C=C[C@@H](CO)NC(=O)c1cncc(C(=O)N[C@@H](C=C)CO)c1 290521237 HGEDBLKWMKCSHH-STQMWFEESA-N 305.334 -0.365 30 20 DBED N#CCN1CCC[C@@H](CNC(=O)[C@H]2CN3CCCN2CC3)C1 332768179 GZBVXDQWHMGZFD-LSDHHAIUSA-N 305.426 -0.272 30 20 DBED CCCCN(CC(N)=O)S(=O)(=O)N(CCC#N)CCOC 336909621 HRPYSDXXBMMQHZ-UHFFFAOYSA-N 320.415 -0.319 30 20 DBED CN(C)C1(CNS(=O)(=O)N2CCO[C@H](C#N)C2)CCCC1 336917874 NUTIZIBTBMIWCK-GFCCVEGCSA-N 316.427 -0.080 30 20 DBED CCN(C)C[C@H]1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)C1 337075273 RNMOCMKBZNEPGH-OLZOCXBDSA-N 316.427 -0.271 30 20 DBED C[C@@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N(C)C1CC1 349515694 HZVVNZIPEYWQJF-JTQLQIEISA-N 323.440 -0.026 30 20 DBED COC(=O)Cn1cc(CNC(=O)N[C@@H]2CCC[C@@H]2C#N)nn1 360050743 LNULIGKBWMEAHW-MWLCHTKSSA-N 306.326 -0.057 30 20 DBED C#CCN(CC)CC(=O)N(CCOC)[C@H]1CCS(=O)(=O)C1 490781048 UYHGGICWXIKHNI-ZDUSSCGKSA-N 316.423 -0.396 30 20 DBED C#CCN1CCN(C(=O)CN2CCC(N(C)C(C)=O)CC2)CC1 490841921 XMRDXCHWUYKKFR-UHFFFAOYSA-N 320.437 -0.294 30 20 DBED C#CCNC(=O)CN1CCN(c2nnc(C)c(C)c2C#N)CC1 491210559 WBSPYJRYOMNMQY-UHFFFAOYSA-N 312.377 -0.163 30 20 DBED C#CCNC(=O)CN1CCN(CCCc2cncn2C)CC1 491634297 QPNRXSLPLIUUDD-UHFFFAOYSA-N 303.410 -0.280 30 20 DBED C=CCNC(=O)NC(=O)CN1CCC[C@H](N2CCOCC2)C1 566425541 DWFOWGRIUAVXIE-ZDUSSCGKSA-N 310.398 -0.205 30 20 DBED CS(=O)(=O)N1CC[C@@H](N[C@@H](C(N)=O)c2ccc(C#N)cc2)C1 567998123 BSHHARNZSNLIPH-CHWSQXEVSA-N 322.390 -0.292 30 20 DBED N#C[C@@]1(NC(=O)CNS(=O)(=O)c2ccccc2)CCOC1 569578251 HWSFZVDFZRRIMK-ZDUSSCGKSA-N 309.347 -0.236 30 20 DBED COC(=O)[C@@H](CC(C)C)NC(=O)Cn1c(=O)[nH]cc(C#N)c1=O 576399820 UJIVOBWTKXRINP-SNVBAGLBSA-N 322.321 -0.888 30 20 DBED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CCO[C@@H]3C[C@H]32)n1 590277753 TXOSTBXRJIHWMS-GHMZBOCLSA-N 317.349 0.448 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 591990436 XIXXEHSHDRIRIK-GFCCVEGCSA-N 308.298 -0.149 30 20 DBED C=CCOCCn1cc(CNC(=O)CN2CCNCC2)nn1 641029991 NXSAEXHLRRTZAV-UHFFFAOYSA-N 308.386 -0.998 30 20 DBED CC#CC[C@H](CO)NS(=O)(=O)c1cnn([C@H]2CCOC2)c1 645884148 WNECCWYVEISEKW-NEPJUHHUSA-N 313.379 -0.103 30 20 DBED CC#CC[C@H](CO)NC(=O)[C@@H]1CCCCN1S(C)(=O)=O 649192868 RLRIOKFTWNQGDM-NEPJUHHUSA-N 302.396 -0.309 30 20 DBED C#CCOc1ccccc1OC(=O)c1cn(CC(N)=O)nn1 744118714 HPJUHGKZHNAZFP-UHFFFAOYSA-N 300.274 -0.005 30 20 DBED C[C@@H](OC(=O)CNS(=O)(=O)c1cccc(C#N)c1)C(N)=O 769777566 LMLCWDIEIOBQIS-MRVPVSSYSA-N 311.319 -0.746 30 20 DBED C#CCOCCNC(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 784606097 GLHDCWDYLNBXSK-CDGCEXEKSA-N 302.330 -0.441 30 20 DBED C#C[C@H](C)NC(=O)N1CCN(S(=O)(=O)CCCOC)CC1 820423878 YBIZTYFBMFRKIU-LBPRGKRZSA-N 317.411 -0.298 30 20 DBED C#CCOCCNC(=O)C(=O)Nc1ccc(OCC(=O)O)cc1 833366230 MRSOQQILYIIPLQ-UHFFFAOYSA-N 320.301 -0.146 30 20 DBED COc1cccc(C(=O)NCC(=O)N[C@@H]2CNC[C@H]2C#N)c1 834500329 SCUCCHFBPRXLTB-DGCLKSJQSA-N 302.334 -0.347 30 20 DBED C#CCNS(=O)(=O)N1CCN(C[C@H]2CCCN2C)CC1 844315028 VNXCTDPEWCCDPI-CYBMUJFWSA-N 300.428 -0.834 30 20 DBED C/N=C(/NCCN1CCOCC1)NC[C@]1(OC)CCOC1 849019489 SGSMXKIKBRCXPF-CQSZACIVSA-N 300.403 -0.711 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC(NC(=O)N2CCOCC2)CC1 852193535 QWHRLXKLMGWEPU-ZDUSSCGKSA-N 322.409 -0.370 30 20 DBED C#CC[C@H](CO)NC(=O)c1cc(S(=O)(=O)NC)cs1 854545383 HRIMURLQUKOEJY-MRVPVSSYSA-N 302.377 -0.230 30 20 DBED O=C(NCC#CCO)NCCNC(=O)c1c(F)cccc1F 923781430 WJLAGOYSTBBILV-UHFFFAOYSA-N 311.288 -0.011 30 20 DBED C=CCn1cc(C(=O)N2CC[C@@H](NC(=O)[C@H]3CCCO3)C2)nn1 939295668 UEFZEMRYFIWXIK-DGCLKSJQSA-N 319.365 -0.026 30 20 DBED CN1C(=O)CC[C@@H]1C(=O)N1CCOC2(CCN(CC#N)CC2)C1 949166791 ALEQZNIZMCPWRJ-CYBMUJFWSA-N 320.393 -0.176 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2CCN2C(=O)[C@H](C)OC)nn1 950052089 BMYXCFIJSRNSDA-WDEREUQCSA-N 307.354 -0.170 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2CCN2C(=O)c2nc[nH]n2)cn1 951381686 JXKSZLDADRIHKV-LBPRGKRZSA-N 310.317 -0.175 30 20 DBED CC(=O)N1CCOC[C@@H]1C(=O)N(C)C1CN(C(=O)[C@H](C)C#N)C1 954419781 XRSAGJUKPJTEFH-ZWNOBZJWSA-N 322.365 -0.937 30 20 DBED Cn1nnc(C(=O)NC[C@@H]2CCCN2C(=O)C#CC2CC2)n1 956003352 YNQQCBFZSXOAEA-NSHDSACASA-N 302.338 -0.656 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2cncc(COC)c2)C1 958155561 DCNUKTDMGSLXFE-HUUCEWRRSA-N 303.362 -0.116 30 20 DBED COCc1nn(C)cc1C(=O)NC[C@H]1CN(CC#N)C[C@H]1O 958182843 HLHTZGHNHMTYRJ-GXFFZTMASA-N 307.354 -0.887 30 20 DBED C=CCN1C[C@H](CNC(=O)c2nc(OC)cc(OC)n2)[C@@H](O)C1 958184269 XRPQAUZFCTZZOO-QWRGUYRKSA-N 322.365 -0.298 30 20 DBED C#CCCN1C[C@@H](O)[C@H](CNC(=O)c2cc3n(n2)CCCO3)C1 958255141 VGIBAWCROHQWCW-TZMCWYRMSA-N 318.377 -0.289 30 20 DBED CC#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cc(C(N)=O)c[nH]2)C1 958525228 GWWGNBNQMPZWKO-WCQYABFASA-N 304.350 -0.841 30 20 DBED CN(C)CCn1ccc(C(=O)NC2[C@@H]3CN(CC#N)C[C@@H]23)n1 959957844 UZXGNVAHIIQXQB-VXGBXAGGSA-N 302.382 -0.372 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)c1cncnc1O 964242266 SCTZCHFILWTWQL-UWVGGRQHSA-N 319.321 -0.701 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H](NC(=O)Cn2nccn2)CC1 964929749 HMXZYKYKRFCWRR-NEPJUHHUSA-N 304.354 -0.065 30 20 DBED C[C@H](C#N)C(=O)N1CC2(C[C@H](NC(=O)Cc3cnoc3)CO2)C1 965791617 XQRQFHOXSWCQRX-PWSUYJOCSA-N 318.333 -0.137 30 20 DBED C#CCN1CCCCC[C@@H]1CNC(=O)[C@@H]1CCS(=O)(=O)N1 969150816 MNEMQGZHCITSSZ-OLZOCXBDSA-N 313.423 -0.328 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H](CNC(=O)c2cnnn2C)C1 975235796 JCWHEJADKGLQKR-QWRGUYRKSA-N 304.354 -0.057 30 20 DBED C[C@H](C(N)=O)N1C[C@H]2C(CNC(=O)c3c[nH]c(C#N)c3)[C@@H]2C1 978030530 VVHOHJAESRGQEA-JCOFBHIZSA-N 301.350 -0.332 30 20 DBED Cn1cc(C(N)=O)cc1C(=O)NC[C@H]1[C@@H]2CN(CC#N)C[C@H]12 978439788 NJYJPWQRCFZNSV-CNDDSTCGSA-N 301.350 -0.445 30 20 DBED C=C(Cl)CN(C)[C@@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 980427339 LNAGBDXXAFXVKN-GHMZBOCLSA-N 321.830 -0.037 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C[C@H]1CCN(C(=O)C(N)=O)C1 988292059 MROIUCXLGCFFQY-UPJWGTAASA-N 323.393 -0.240 30 20 DBED C[C@@H]1C[C@H](NCC#N)CN1C(=O)CCn1cc[nH]c(=O)c1=O 989561511 FFIQFKKFUXMKIQ-MNOVXSKESA-N 305.338 -0.971 30 20 DBED C#Cc1ccc(C(=O)N2CC(NC(=O)c3nccnc3N)C2)cn1 990542527 PYALSUZWBLDCCL-UHFFFAOYSA-N 322.328 -0.311 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)c3cnnn3C)C2)nc1 997088753 VLMHFHNNXHDSTL-UHFFFAOYSA-N 310.317 -0.554 30 20 DBED C#CCCN1CC[C@H](n2cc(CNC(=O)c3cnn[nH]3)nn2)C1 1000002413 JNOAXIGWGLMTGS-LBPRGKRZSA-N 314.353 -0.404 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CCC(=O)NC2)C1 1000018168 NCEYLPRJCSQKOA-UHTWSYAYSA-N 321.377 -0.569 30 20 DBED C#CCN1CCC(C(=O)NCC2CN(C(=O)[C@@H](C)OC)C2)CC1 1002471437 AWASCZGTJYGVSZ-CYBMUJFWSA-N 321.421 -0.059 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2CN(C(=O)C(N)=O)CC[C@@H]2C)nc1 1005093758 VQFSWPDLSBPMIO-GWCFXTLKSA-N 314.345 -0.485 30 20 DBED C[C@@H](NC(=O)[C@@H]1COC(=O)N1)C1CN(C(=O)C#CC2CC2)C1 1006018932 IOJRCVJQIWKOBF-SKDRFNHKSA-N 305.334 -0.529 30 20 DBED NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C#CC1CC1 1006318200 KWZGZWWVGXWZGM-RGDJUOJXSA-N 315.373 -0.231 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2C(NC(=O)C(N)=O)[C@@H]2C1 1013689996 RORMBWXFUVOFPO-XNDJQWLSSA-N 307.350 -0.974 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@]2(NC(=O)Cn3ncnn3)CCC[C@H]12 1014289919 BVRJGWYVTGDXAH-UHIISALHSA-N 317.353 -0.527 30 20 DBED N#Cc1cccc(CN[C@H]2C[C@@H](NC(=O)Cn3ncnn3)C2)c1 1022083113 KSJMBGCEIYARQK-OKILXGFUSA-N 311.349 -0.018 30 20 DBED C#CCN[C@@H]1CC[C@@H]2CN(C(=O)Cn3nc(C)n(C)c3=O)C[C@H]21 1026408883 HDSNHWMFEGQXST-MGPQQGTHSA-N 317.393 -0.650 30 20 DBED C=CCN1CC[C@@H](N(C)C[C@@H]2CCN(C(=O)CC(N)=O)C2)C1=O 1029682689 YIVLVNXMNJGMPM-QWHCGFSZSA-N 322.409 -0.571 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)c3cn(C)nc3C)C2)C1=O 1030162241 FOSQKXGAHPMULS-CQSZACIVSA-N 317.393 -0.071 30 20 DBED Cn1[nH]c(CN2CC(CNC(=O)c3c[nH]c(C#N)c3)C2)nc1=O 1031622430 GTCKBDYIMSQISF-UHFFFAOYSA-N 315.337 -0.830 30 20 DBED C#CCN1CCO[C@H](CNC(=O)C2CCN(C(N)=O)CC2)C1 1035601804 CFDGSSBIUPPLFW-CYBMUJFWSA-N 308.382 -0.773 30 20 DBED C=C(C)CN1CCO[C@@H](CNC(=O)[C@H]2CCCS2(=O)=O)C1 1035611307 RRYGRZUNOVTSLT-QWHCGFSZSA-N 316.423 -0.043 30 20 DBED N#CCN1CCO[C@@H](CNC(=O)c2cncc(C(N)=O)c2)C1 1035615216 WYJJXMPKOHFZRY-LBPRGKRZSA-N 303.322 -0.865 30 20 DBED C#CCN1CCC(C(=O)NC[C@H]2CCN2[C@H](C)C(N)=O)CC1 1039041849 HQYZMKPMVCLJAE-TZMCWYRMSA-N 306.410 -0.604 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@]1(O)CCN(C(=O)COCC)C1 1039575727 FCBOOINNWPXTPG-LSDHHAIUSA-N 314.382 -0.570 30 20 DBED C=CCCOCC(=O)N1CC[C@](O)(CNC(=O)[C@H](C)C#N)C1 1040769315 KZGCFSXKWVTVFC-DOMZBBRYSA-N 309.366 -0.182 30 20 DBED CC#CCN1CC[C@]2(CCN(C(=O)Cn3cnnc3O)C2)C1 1041229342 WGXDMYIKUYYCRZ-HNNXBMFYSA-N 303.366 -0.069 30 20 DBED CC(C)(C)C#CC(=O)N1CC(O)(CNC(=O)C2=COCCO2)C1 1041327282 XPGZOAKCSNXLID-UHFFFAOYSA-N 322.361 -0.386 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)C(C)C)C1 1041540066 FJPYUOONMXOBDY-ZDUSSCGKSA-N 307.394 -0.571 30 20 DBED N#CCSCC(=O)NCC1(O)CN(C(=O)c2cnccn2)C1 1041567991 CPPYOFSJLADYCI-UHFFFAOYSA-N 321.362 -0.964 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)COC(C)C)C1 1041850360 STFAPHKKMZVJOI-UHFFFAOYSA-N 312.366 -0.859 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)[C@H](C)NC(C)=O)C1 1042803298 WCUMNCOHANAWRH-NSHDSACASA-N 309.366 -0.996 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)[C@H](C)OCC#C)C1 1043040649 VPJFLXJRJNEHFR-ZDUSSCGKSA-N 306.362 -0.482 30 20 DBED C=CCn1cc(C(=O)NCC2(O)CN(C(=O)[C@H]3C[C@@H]3C)C2)nn1 1043105959 LSMJLEYKHSCOIV-QWRGUYRKSA-N 319.365 -0.577 30 20 DBED C=C1CC(C)(C(=O)N2CC(O)(CNC(=O)[C@H]3CCN(C)C3)C2)C1 1043117107 TULVJFIDTWKQET-ZDUSSCGKSA-N 321.421 -0.016 30 20 DBED Cc1nn[nH]c1C(=O)N1C[C@@H](N=c2cc[nH]c(C#N)n2)[C@H](C)C1 1043437116 XXXNPKFLBDKYPS-PSASIEDQSA-N 312.337 -0.231 30 20 DBED CC#CCCCC(=O)N1CC(O)(CNC(=O)c2cnn(C)n2)C1 1043888548 DRKLVIYHAKGCRY-UHFFFAOYSA-N 319.365 -0.688 30 20 DBED CC#CCN1CC[C@H](N2CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)C1 1046075802 FEYJKHWJFWHXIK-GJZGRUSLSA-N 318.421 -0.493 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)[C@H]2OCC[C@H]2C)C1 1046778080 WRRQFRATYBNFEX-OCCSQVGLSA-N 308.378 -0.240 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)Cn2cncn2)C1 1046875033 HGBICMGXSJSFTM-UHFFFAOYSA-N 307.354 -0.820 30 20 DBED N#CCN1CCC(F)(F)[C@@H](CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 1046974017 BXXQNJVFEIFROM-AEJSXWLSSA-N 300.309 -0.295 30 20 DBED CC#CCN1C[C@H]2C[C@@H](NC(=O)CN3CCOCC3=O)C[C@H]1C2 1047090298 ZWFXRZGGILRFBN-RRFJBIMHSA-N 319.405 -0.162 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2c(C)nnn2CC)C1 1047406969 VBAYQOCQVWSNSK-STQMWFEESA-N 305.382 -0.253 30 20 DBED CN(C(=O)c1cnn2c1OCCC2)[C@H]1CN(CC#N)C[C@@H]1O 1047443522 HXFZXFLIWGKBJZ-RYUDHWBXSA-N 305.338 -0.694 30 20 DBED COc1nc(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)C#N)C2)co1 1049401662 IREJCFGWJWJBHA-LSJOCFKGSA-N 322.321 -0.513 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C[C@@H]1O 1049407151 CFTNKVDBBWLOPX-NLMKBYRWSA-N 307.350 -0.931 30 20 DBED CC(C)C#CC(=O)N[C@@H](C)[C@H]1CCN(C(=O)CNC(N)=O)C1 1049982935 JMNFCOIYDHGSQQ-RYUDHWBXSA-N 308.382 -0.333 30 20 DBED CC#CCN1CCOC[C@H]1CNC(=O)c1ccc(C(N)=O)[nH]1 1051113670 ZGLOYMDNBBKALE-LLVKDONJSA-N 304.350 -0.433 30 20 DBED C#CCN1CCN([C@H]2CCN(C(=O)Cn3cncn3)C2)CC1 1052114164 HSJAJWGRGHAQNQ-AWEZNQCLSA-N 302.382 -0.870 30 20 DBED CO[C@@H]1COCC[C@H]1CC(=O)N1CCOC2(CN(CC#N)C2)C1 1053284953 IBLOMMHRUUTQAA-UONOGXRCSA-N 323.393 -0.135 30 20 DBED C#CCN1CC2(C1)CN(C(=O)C[C@@H]1CCC(=O)NC1)CCO2 1053285932 RBJWJQBWJOADHM-ZDUSSCGKSA-N 305.378 -0.551 30 20 DBED C=C(C)CN1CC2(C1)CN(C(=O)[C@@H]1CCN(C)C1=O)CCO2 1053381984 CNFLYKJXBRZBNB-CYBMUJFWSA-N 307.394 -0.046 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)[C@@]1(C)CCNC1=O)CCO2 1053425381 ANJDPELZJOWHGQ-HNNXBMFYSA-N 305.378 -0.551 30 20 DBED N#CCN1CC2(C1)CN(C(=O)[C@H]1CCc3nc[nH]c3C1)CCO2 1053501237 LAESNBPDXLMRKC-LBPRGKRZSA-N 315.377 -0.049 30 20 DBED N#CCN1CC2(C1)CN(C(=O)c1noc3c1COCC3)CCO2 1053537343 BRKWUYWHUCMSPW-UHFFFAOYSA-N 318.333 -0.202 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)C[C@H]3COC(=O)C3)CO2)C1 1053778032 VADOCMWMFHYFRK-CHWSQXEVSA-N 306.362 -0.078 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H](N[C@H](C)C(N)=O)C1 1054296171 HZRAYNDTZVZULR-MCIONIFRSA-N 306.410 -0.462 30 20 DBED C=CCN[C@H]1CN(C(=O)CCc2nnc(O)nc2O)C[C@H]1C 1054847171 CXHAGJZWLSWRFC-KOLCDFICSA-N 307.354 -0.162 30 20 DBED Cn1cc(CC(=O)N2CCN(c3cnc(C#N)cn3)CC2)cn1 1055741261 IKQBFWNOOCTXSO-UHFFFAOYSA-N 311.349 -0.027 30 20 DBED Cn1cc(C(=O)N[C@H]2[C@@H]3CN(c4cncc(C#N)n4)C[C@@H]32)cn1 1056135804 RSMXPYZIHBCLTH-IMRBUKKESA-N 309.333 -0.054 30 20 DBED N#Cc1cncc(N2C[C@H]3C(NC(=O)[C@@H]4CCC(=O)N4)[C@@H]3C2)n1 1056262147 JDQCZOQAOLHVMM-MXWKQRLJSA-N 312.333 -0.822 30 20 DBED N#Cc1nccc(N2C[C@@H]3C(NC(=O)Cn4nccn4)[C@H]3C2)n1 1056316210 RUYWWXWTBSIICI-UWVGGRQHSA-N 310.321 -0.809 30 20 DBED CN(c1cncc(C#N)n1)[C@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 1056910521 WROPZKCQDYYVEP-WDEREUQCSA-N 316.321 -0.506 30 20 DBED CN(c1ccc(C#N)nc1)[C@H]1CCN(C(=O)Cn2ncnn2)C1 1056967811 KUNOYANKPVZTCV-ZDUSSCGKSA-N 312.337 -0.323 30 20 DBED C=CC(C)(C)C(=O)NCCN(CCO)C(=O)CNC(=O)OC 1057092782 YRJQYWFUXLJXIV-UHFFFAOYSA-N 315.370 -0.508 30 20 DBED C#CCOCCC(=O)NCCN(CCO)C(=O)[C@@H](C)COC 1057192657 XYFHSEIJVTUROV-ZDUSSCGKSA-N 314.382 -0.754 30 20 DBED C=CC(C)(C)C(=O)N(CCO)CCNC(=O)[C@H](C)NC(N)=O 1058302486 UWUDYBAEJPGCLI-JTQLQIEISA-N 314.386 -0.808 30 20 DBED Cc1nc(CC(=O)N[C@H]2CCN(c3cncc(C#N)n3)C2)n[nH]1 1058353233 AWGYVDTYGIUPOM-JTQLQIEISA-N 312.337 -0.288 30 20 DBED N#Cc1cncc(N[C@H]2CCN(C(=O)CN3CCCC3=O)C2)n1 1058836986 PPWXWPQDSOISQP-NSHDSACASA-N 314.349 -0.017 30 20 DBED N#Cc1nccnc1N[C@H]1CCN(C(=O)C[C@@H]2CCNC2=O)C1 1058982810 GXKJQFHOJLMFLS-QWRGUYRKSA-N 314.349 -0.113 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](CCNC(=O)[C@H](C)OC)C1 1059502521 SRQPEFUXMCHAEE-QWHCGFSZSA-N 323.393 -0.484 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](CCNC(=O)COC)C1 1059502769 YYEDOHYRZJGQTH-GFCCVEGCSA-N 309.366 -0.873 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[C@H]2C(N)=O)C1 1059784061 CKQWGSPEGKYVEL-YVECIDJPSA-N 313.361 -0.054 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CC[C@H](CNC(=O)[C@H]2CNC(=O)N2)CC1 1060815173 KEEKTXPGLMHKFW-FIQHERPVSA-N 321.381 -0.381 30 20 DBED C=CCOCC(=O)NC[C@@H]1COCCN1C(=O)COCC=C 1061421079 IHVJEHGURDXFNO-CYBMUJFWSA-N 312.366 -0.265 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)Cc1cnn(C)c1 1061845599 JNPCHUCXBLAFLT-DGCLKSJQSA-N 319.365 -0.534 30 20 DBED C=CCOCC(=O)NC1(CNC(=O)[C@@H]2COCCO2)CCC1 1062589281 LIGLRIQWRLBKFW-LBPRGKRZSA-N 312.366 -0.241 30 20 DBED Cc1ccc(C#N)c(N2C[C@H]3C[C@H]2[C@H]3NC(=O)Cn2cnnn2)n1 1064215901 DJCQTNXEONJFIP-DYEKYZERSA-N 324.348 -0.358 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)CN2CCCNC2=O)CCC1 1064306606 MFALVIIRHNCYKQ-NSHDSACASA-N 321.381 -0.284 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)COCC)CCO1 1064801296 AXLABEVIQFVVFJ-GFCCVEGCSA-N 300.355 -0.431 30 20 DBED C=CCCC(=O)N1CCO[C@H](CNC(=O)CCCC(N)=O)C1 1064958973 DSKUFWPEUVRSIS-GFCCVEGCSA-N 311.382 -0.048 30 20 DBED C=CCOCC(=O)N1CCO[C@H](CNC(=O)[C@H](C)OC)C1 1064977359 UZBQFOUJDSDFFR-NWDGAFQWSA-N 300.355 -0.433 30 20 DBED N#Cc1cncc(N2CCOC[C@@H]2CNC(=O)c2cc[nH]n2)n1 1066463688 BEWNVQQEVXMVTH-NSHDSACASA-N 313.321 -0.293 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CCCN(C(=O)CCNC(N)=O)CC1 1066480604 FYKGEFOHTYLJLU-MNOVXSKESA-N 309.370 -0.298 30 20 DBED C[C@@H]1C[C@H](CNc2cnc(C#N)cn2)CN1C(=O)CC(N)=O 1068304127 WYHWQRSBJNARNJ-NXEZZACHSA-N 302.338 -0.127 30 20 DBED N#Cc1nc(=NC[C@H]2C[C@H](NC(=O)Cc3nc[nH]n3)C2)cc[nH]1 1068527991 QMLOGMJHOKPHKJ-MGCOHNPYSA-N 312.337 -0.562 30 20 DBED N#Cc1cnc(NC[C@H]2C[C@H](NC(=O)[C@@H]3CCNC3=O)C2)cn1 1068562129 ZGCXYAYBHLQXCY-CKYFFXLPSA-N 314.349 -0.209 30 20 DBED CC#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2cnsn2)C1 1069899858 BAFZXDYZLIOQES-NEPJUHHUSA-N 317.378 -0.192 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(NC(=O)COC)CCOCC1 1069943913 PVQMDEHFLPKANF-AWEZNQCLSA-N 314.382 -0.259 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2c(C)cnn2C)C1 1070000695 IMEVJAYLHICDDK-OLZOCXBDSA-N 313.365 -0.391 30 20 DBED C=CCN[C@@H]1CN(C(=O)[C@H]2CN(C)CCO2)C[C@@H]1n1ccnn1 1070165241 KEECOEDFVBNCOV-HZSPNIEDSA-N 320.397 -0.864 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2cnc(O)n2C)C[C@@H]1n1ccnn1 1070250841 VYMRGBPPRCLJNQ-PWSUYJOCSA-N 315.337 -0.994 30 20 DBED Cn1cc(CC(=O)N2C[C@H]3C[C@@H]4CN(CC#N)C[C@]3(C2)O4)cn1 1070770980 MZGWEOIFIQDRCM-IIAWOOMASA-N 315.377 -0.212 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)c4ccn(C)n4)C[C@@]3(C1)O2 1070889415 VYPIUEGRCMUGBV-XJKCOSOUSA-N 300.362 -0.031 30 20 DBED C[C@H]1CN(C(=O)c2cc(=O)n(C)o2)C[C@@]2(CCN(CC#N)C2)O1 1071158843 CBAWXVBAASGMCU-NHYWBVRUSA-N 320.349 -0.193 30 20 DBED C=CCCCC(=O)N1C[C@H](C)[C@H](NC(=O)Cn2cnnn2)C1 1072629449 IRVMLKYRIGOWQK-NWDGAFQWSA-N 306.370 -0.008 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2CN(CCO)CCCO2)nc1 1073865404 ICGSGJFSTGHJQX-AWEZNQCLSA-N 303.362 -0.124 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCN(C(=O)CCOC)C[C@@H]1C 1073891194 MYMLBZKVFZDGGT-QWHCGFSZSA-N 323.393 -0.484 30 20 DBED CC(C)C#CC(=O)N1CCC(O)(CNC(=O)c2cnn[nH]2)CC1 1074579285 BAJAXWWYPDQDHF-UHFFFAOYSA-N 319.365 -0.453 30 20 DBED C=C1CCC(C(=O)NCC2(O)CCN(C(=O)C(N)=O)CC2)CC1 1074700846 HYRFFTGTDFQLHG-UHFFFAOYSA-N 323.393 -0.312 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(C(=O)Cn2cnnn2)[C@@H](C)C1 1074891791 LAUCUYFRLVYKFE-RYUDHWBXSA-N 322.369 -0.629 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)CC(=O)NC 1076258001 VTTXGYLRBSUAMQ-STQMWFEESA-N 322.409 -0.769 30 20 DBED C=CCN1CC[C@H](N2C[C@@H](O)[C@H](NC(=O)c3ccoc3)C2)C1=O 1076743160 TXMMRYSLEPTWGT-HZSPNIEDSA-N 319.361 -0.159 30 20 DBED C[C@@H](CCNC(=O)c1ccc(C(N)=O)nc1)NC(=O)[C@@H](C)C#N 1077186699 KLFSJQLAWCEWRE-UWVGGRQHSA-N 317.349 -0.035 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)Cc2nonc2C)C1 1077918949 LYPLDZOYMPHFGM-GHMZBOCLSA-N 300.746 -0.166 30 20 DBED C[C@@H](CCNC(=O)[C@@H](C)C#N)NC(=O)c1cccnc1C(N)=O 1078133352 HRDOUWMGYKXQHM-UWVGGRQHSA-N 317.349 -0.035 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2cc(-c3ccoc3)[nH]n2)C1 1078180262 UVKWETXXCYGLHM-CHWSQXEVSA-N 301.306 -0.032 30 20 DBED C#CCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)C2(C(N)=O)CC2)C1 1079777237 VZWDGRLZVTWTFJ-NSHDSACASA-N 321.377 -0.651 30 20 DBED C#CCO[C@@H](C)C(=O)NC1(CO)CCN(C(=O)[C@@H](C)C#N)CC1 1080861460 TWKHKAWFAIKGCO-STQMWFEESA-N 321.377 -0.346 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)CC(=O)NCC)C[C@H]1O 1081335428 LEKPPUPEFBLBBL-NWDGAFQWSA-N 311.382 -0.586 30 20 DBED C=CCCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2cnnn2C)C1 1081448110 WJYYFEMZYSEPHP-DGCLKSJQSA-N 321.381 -0.280 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)Cc2cnc[nH]2)C[C@@H]1O 1081465041 AIEMHTPUWUZLGZ-OCCSQVGLSA-N 318.377 -0.453 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2cnco2)C1 1081623216 INNTZDYPXKKAHL-GHMZBOCLSA-N 309.322 -0.574 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(CC(N)=O)C[C@H]1OC 1081694192 PCVYOIXALZNSCF-FVCCEPFGSA-N 311.382 -0.732 30 20 DBED C=CCOCC(=O)N1C[C@H](CNC(=O)c2conc2C)[C@@H](O)C1 1081719703 VTFYLMKIJNVCBC-AAEUAGOBSA-N 323.349 -0.265 30 20 DBED C#CCN1C[C@@H](NC(=O)C[C@H]2CCCS2(=O)=O)[C@H](OC)C1 1081985415 QQJYDNTWNYYSMV-JHJVBQTASA-N 314.407 -0.598 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CCCCN1C(=O)Cn1ncnn1 1082093214 IZKRMIIYEFWJQK-ZDUSSCGKSA-N 318.381 -0.170 30 20 DBED CC#CCN1C[C@@H](NC(=O)c2nc3ncccn3n2)[C@H](OC)C1 1082255552 QTOLYMTVWSIMFR-VXGBXAGGSA-N 314.349 -0.423 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CCc1nc[nH]n1 1083041581 QMNUMKVZWHMGKQ-QWHCGFSZSA-N 303.366 -0.328 30 20 DBED Cc1c(CC(=O)N2CCO[C@@H]3CN(CC#N)C[C@@H]32)cnn1C 1083102041 JMQYGWXUDBQTHD-UONOGXRCSA-N 303.366 -0.294 30 20 DBED C[C@H](C(=O)N1CCO[C@@H]2CN(CC#N)C[C@@H]21)c1cnn(C)c1 1083298978 BXUURFPUQFFJBE-FPMFFAJLSA-N 303.366 -0.041 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2cnc(OCC3CC3)cn2)C1 1083946278 CSRXURZXTDRGGP-KGLIPLIRSA-N 316.361 -0.327 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)CN2C(=O)CCC2=O)C1 1084040308 AYTPYZMKHQJPQF-ZJUUUORDSA-N 315.757 -0.951 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)Cc2nc(C3CC3)nn2C)C1 1084075339 FQDSWTZQOXMELD-NEPJUHHUSA-N 305.382 -0.418 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)Cn2ccc(O)nc2=O)[C@H](O)C1 1090405246 WLQFSODEEUBGJB-VXGBXAGGSA-N 322.365 -0.924 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2c(O)nnc(C)c2C)[C@H](O)C1 1090480237 RVOJFAUACWWLLT-CHWSQXEVSA-N 318.377 -0.013 30 20 DBED C=CCN1CC[C@H](NC(=O)c2c(C)c(C)nn(C)c2=O)[C@H](O)C1 1090480936 XMSUDDLMVFSUID-QWHCGFSZSA-N 320.393 -0.252 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(c2cccc(F)n2)C[C@H]1O 1090489137 WQNCJBDRHDMYIA-QJPTWQEYSA-N 307.325 -0.075 30 20 DBED N#Cc1ccc(CN2CC[C@H](NC(=O)C(N)=O)[C@H](O)C2)cc1 1090535986 YOBLDULEDTXCBX-QWHCGFSZSA-N 302.334 -0.905 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2ccc(C(N)=O)s2)[C@H](O)C1 1090644069 IMIOOIGSLPNLPU-RKDXNWHRSA-N 308.363 -0.464 30 20 DBED CC[C@@H](C(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@@H]1O)N(C)C 1091124571 SVIXVXVFMOIBHJ-AGIUHOORSA-N 318.381 -0.646 30 20 DBED C=CCNC1CC(CNC(=O)c2cc(=O)n3[nH]cnc3n2)C1 1091324513 HDSPCIDRDWYRQD-UHFFFAOYSA-N 302.338 -0.298 30 20 DBED C#CCNC1CCC2(CC1)CN(C(=O)[C@@H]1CNC(=O)N1)CCO2 1093403880 JCOCVOBIWWGUEN-UYJPIKCFSA-N 320.393 -0.569 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)[C@H]3CCCN3C)CC2=O)C1 1094714112 PLTJSTJSYOAKFH-GXTWGEPZSA-N 304.394 -0.885 30 20 DBED CN(CCCNC(=O)c1cc(=O)n(C)o1)c1cnc(C#N)cn1 1095542649 ZPUOKHZVNXQRRK-UHFFFAOYSA-N 316.321 -0.104 30 20 DBED CN(CCCNC(=O)[C@@H]1CC[C@H]1C(N)=O)c1ccnc(C#N)n1 1095696443 AXLPUTUFXOYXSD-GHMZBOCLSA-N 316.365 -0.198 30 20 DBED C[C@H](NC(N)=O)C(=O)N[C@H]1CCCN(c2cnc(C#N)cn2)C1 1096162455 LMVOFLVAEMPLQO-UWVGGRQHSA-N 317.353 -0.510 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CCN(c2nc(C)cc(C#N)n2)C1 1096353669 VTNUIDZZIUCPBW-SNVBAGLBSA-N 302.338 -0.512 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H]1CC(=O)N(CCOC)C1 1097172057 XZPATSYVDPVARK-TUVASFSCSA-N 319.405 -0.164 30 20 DBED COCCOCC(=O)N1CC[C@@H](n2cc(CNCC#N)nn2)C1 1098634748 WKYDKRLISMZZSR-CYBMUJFWSA-N 322.369 -0.672 30 20 DBED C#CCNC(=O)CN1CC(C)(C)CC[C@@H]1CNC(=O)COC 1098833393 PNILBAWNWYDHON-CYBMUJFWSA-N 309.410 -0.011 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2cncs2)[C@@H](O)C1 1099697753 DEEMTISHSYYBPT-RYUDHWBXSA-N 309.391 -0.042 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)Cn2cc(C)cn2)[C@@H](O)C1 1099712223 MAWISSATQDTTNE-CABCVRRESA-N 322.409 -0.054 30 20 DBED C=CCN1CC[C@H](NC(=O)CCN2C(=O)CCC2=O)[C@H](O)C1 1099908665 HOOAILZMVOAPCP-NWDGAFQWSA-N 309.366 -0.737 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)C2(C(N)=O)CC2)[C@@H](O)C1 1099981324 NQVWUOIJMKSZKJ-NEPJUHHUSA-N 311.382 -0.994 30 20 DBED CN(CCNC(=O)[C@H]1CCNC(=O)C1)c1ccc(C#N)nn1 1100006694 IOXGNSPFVXNZKF-JTQLQIEISA-N 302.338 -0.573 30 20 DBED C=CCN1CC[C@@H](NC(=O)CC(=O)NCC(F)(F)F)[C@@H](O)C1 1100055779 IRYSKBTZOWZCCE-ZJUUUORDSA-N 323.315 -0.208 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2nocc2C)[C@H](O)C1 1100062515 VFOQQNNRYDPRNH-QWHCGFSZSA-N 307.350 -0.202 30 20 DBED C[C@@H](C#N)C(=O)NCC1CC(NCCNS(C)(=O)=O)C1 1100198303 WDFYFIJQRJMPCF-WHXUTIOJSA-N 302.400 -0.820 30 20 DBED COCCOC[C@@H](O)CNC1CC(CNC(=O)C#CC2CC2)C1 1100315235 ZFYGBVLHIVSWFW-GPANFISMSA-N 324.421 -0.092 30 20 DBED CN(CCNC(=O)[C@H]1CC[C@@H](C(N)=O)C1)c1ccc(C#N)nn1 1100328296 XAZWQMLQKIKBHO-MNOVXSKESA-N 316.365 -0.198 30 20 DBED COCC#CCNC1CC(CNC(=O)[C@H]2CCC(=O)N2C)C1 1100600846 JWPBGFXJRVLTQV-JXQTWKCFSA-N 307.394 -0.259 30 20 DBED CN(CCNc1cnc(C#N)cn1)C(=O)[C@@H]1CC[C@@H]1C(N)=O 1101893108 QXAQTCBBENCLIY-WDEREUQCSA-N 302.338 -0.270 30 20 DBED CN(CCN=c1cc[nH]cc1C#N)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 1101960686 WLECOIAZXHBBMF-QWHCGFSZSA-N 317.349 -0.722 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H]1CN(CC(=O)N(C)C)C[C@H]1C 1101964365 MJAKKTSJYHWNTD-HZSPNIEDSA-N 309.410 -0.203 30 20 DBED CC(=O)N[C@H](C)C(=O)N(C)[C@@H]1CCN(c2cnc(C#N)cn2)C1 1102668253 HDRKNHGUMZUIBO-ZWNOBZJWSA-N 316.365 -0.090 30 20 DBED CC[C@@H](CNC(=O)[C@@H]1COC(=O)N1)N=c1cc[nH]cc1C#N 1103052861 LARJCTTWRVUZDI-JQWIXIFHSA-N 303.322 -0.210 30 20 DBED COC(=O)NCC(=O)NC[C@@H](C)CN=c1cc[nH]cc1C#N 1103856439 BXYUBEZDYOLANJ-JTQLQIEISA-N 305.338 -0.105 30 20 DBED C[C@H](CNc1cncc(C#N)n1)N(C)C(=O)[C@@H]1CCC(=O)N1 1104642777 NZQQTRYIGPXYHJ-KOLCDFICSA-N 302.338 -0.114 30 20 DBED N#Cc1nc(=NC[C@@H]2CCC[C@@H]2NC(=O)CC(N)=O)cc[nH]1 1105651937 OFRAEXWVUZIJNV-UWVGGRQHSA-N 302.338 -0.658 30 20 DBED N#Cc1cncc(NC[C@@H](O)CNC(=O)c2cc[n+]([O-])cc2)n1 1105735766 ZBODUCVYAPHNCN-GFCCVEGCSA-N 314.305 -0.816 30 20 DBED C=CCCC(=O)NC[C@H](O)CNc1ncnc2c1nnn2C 1105739911 PXSMOOUUODBIEV-VIFPVBQESA-N 305.342 -0.387 30 20 DBED Cc1nc(NC[C@H](O)CNC(=O)c2cn(C)nn2)ccc1C#N 1105815787 MWHJWXUJEZURPP-NSHDSACASA-N 315.337 -0.407 30 20 DBED Cn1ccc(CC(=O)NC[C@H](O)CNc2cncc(C#N)n2)n1 1105818942 RJQNSIXIHMREGU-GFCCVEGCSA-N 315.337 -0.787 30 20 DBED C[C@@H](CCNc1nccnc1C#N)NC(=O)[C@H]1CCC(=O)N1 1106271446 LSZVWYHCRUUPMT-VHSXEESVSA-N 302.338 -0.066 30 20 DBED CCN(CCN=c1cc[nH]cc1C#N)C(=O)[C@H]1CN(C)C(=O)N1 1106907141 WMZXYWBDSITRBX-CYBMUJFWSA-N 316.365 -0.341 30 20 DBED C#CCNC(=O)CC(=O)NCc1cn(C2CN(CC=C)C2)nn1 1107161105 YDLKUBMTXCBUCA-UHFFFAOYSA-N 316.365 -0.924 30 20 DBED Cc1cc(=NC/C=C\CNC(=O)Cn2ncnn2)c(C#N)c[nH]1 1107354839 OAAGWGXNLRQJEG-IHWYPQMZSA-N 312.337 -0.545 30 20 DBED N#Cc1nc(=NC/C=C/CNC(=O)[C@@H]2CCCNC2=O)cc[nH]1 1107389618 NISOGJICUKHBIO-GXFZAYBSSA-N 314.349 -0.619 30 20 DBED CC[C@@H](NC(C)=O)C(=O)N[C@H](C)CN=c1cc[nH]c(C#N)n1 1108123189 QXBIKZIVXGRPGO-MWLCHTKSSA-N 304.354 -0.399 30 20 DBED C[C@@H](CNc1cncc(C#N)n1)NC(=O)[C@H]1COCCN1C 1108320040 RQCDRZNRSDJRBR-CMPLNLGQSA-N 304.354 -0.405 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)[C@H](OCC)C3CC3)CC2=O)C1 1108546019 MDOHTNCVZBTWBF-XJKSGUPXSA-N 319.405 -0.164 30 20 DBED CNC(=O)NCCC(=O)N[C@H](C)CN(C)c1nccnc1C#N 1108934019 ASNUXIKZWHIZTJ-SNVBAGLBSA-N 319.369 -0.392 30 20 DBED C[C@@H](CN(C)c1ccnc(C#N)n1)NC(=O)CCCC(N)=O 1109012391 NIYRXCXDDPHEAA-JTQLQIEISA-N 304.354 -0.055 30 20 DBED C[C@@H](CN(C)c1cnc(C#N)cn1)NC(=O)[C@@]1(C)CNC(=O)C1 1109155559 NAROQVADEIMIPQ-ZUZCIYMTSA-N 316.365 -0.185 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cnn(C)c1N 1109179774 KNRIVHBRNVOMOO-XBFCOCLRSA-N 317.393 -0.013 30 20 DBED Cc1cc(C#N)nc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)CC(N)=O)n1 1109698090 WOLIXGQFWAFDFP-DVYJOKAKSA-N 300.322 -0.775 30 20 DBED CC(=O)NCC(=O)N[C@H](CNc1cncc(C#N)n1)C1CC1 1109781082 LARUSXIJDXSMHF-GFCCVEGCSA-N 302.338 -0.209 30 20 DBED Cn1nnc(C(=O)N[C@H](CNc2nccnc2C#N)C2CC2)n1 1109967717 ZXMDFHBQQZKVLT-SNVBAGLBSA-N 313.325 -0.508 30 20 DBED N#Cc1cncc(NC2(CNC(=O)[C@H]3CCC(=O)NC3)CC2)n1 1110403860 XRSONXIVDKCHQH-JTQLQIEISA-N 314.349 -0.065 30 20 DBED CCO[C@@H](C)C(=O)NC[C@]1(O)CCN(c2ccc(C#N)nn2)C1 1111029139 CYKXCTCYGSQQTK-XHDPSFHLSA-N 319.365 -0.169 30 20 DBED C#CCOCCC(=O)NC[C@@]1(O)CCN(c2cc(C)ncn2)C1 1111097675 DYBLSWXDBRYETI-INIZCTEOSA-N 318.377 -0.118 30 20 DBED COC[C@H](C)C(=O)N(C)[C@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1111175634 NAIDTVVXQGZADO-DRZSPHRISA-N 319.365 -0.361 30 20 DBED N#Cc1ccc(NCCN(CCO)C(=O)[C@H]2CCC(=O)N2)nc1 1111445006 GTMHTXQZHLPYSA-GFCCVEGCSA-N 317.349 -0.535 30 20 DBED CC(=O)N1C[C@@H](C)OC2(CCN(CC(=O)NCC#N)CC2)C1 1111532352 WFTGCJLMEXFLLZ-GFCCVEGCSA-N 308.382 -0.272 30 20 DBED CN(C)CCCC(=O)N(CCO)CCNc1cnc(C#N)cn1 1111551493 CATLRIUNEAUYRC-UHFFFAOYSA-N 320.397 -0.077 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)C2(F)CCOCC2)CC1 1112936943 IRRDRZKCDDIZEH-UHFFFAOYSA-N 312.345 -0.711 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)c2[nH]c(O)nc2C)CC1 1112991764 VWLPATQIJKBTLS-NSHDSACASA-N 319.365 -0.681 30 20 DBED C[C@H](NC(=O)Cn1nccn1)[C@H](C)Nc1cnc(C#N)cn1 1113173049 IPXRTXGAGGWOGG-UWVGGRQHSA-N 300.326 -0.055 30 20 DBED C[C@H](CNC(=O)[C@@H]1COCCN1C)N(C)c1nccnc1C#N 1113561338 YMUQIJNSQALAAG-YPMHNXCESA-N 318.381 -0.380 30 20 DBED CCCSCC(=O)NC1[C@H]2CN(CC(=O)NCC#N)C[C@H]12 1113950602 LAJYCQIONKWGIW-QWRGUYRKSA-N 310.423 -0.184 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)Cc3ccon3)[C@@H]2C1 1114093000 HQAMGVHJMSZZDA-CYZMBNFOSA-N 318.377 -0.046 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)c3coc(C)n3)[C@@H]2C1 1114174377 RWDJPLREPDYLIA-MVWJERBFSA-N 316.361 -0.219 30 20 DBED C#CCN1C[C@H]2C(NC(=O)CN(C)CC(=O)NC(C)C)[C@@H]2C1 1114520932 DUSNRSIITLJILC-CHWSQXEVSA-N 306.410 -0.878 30 20 DBED CCc1nocc1C(=O)NC1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]12 1114787393 SALXYUSEVYALJS-NXEZZACHSA-N 317.349 -0.463 30 20 DBED C#Cc1ccc(C(=O)NC2[C@@H]3CN(CCOCCO)C[C@@H]23)cn1 1115139931 NMPJKNXWNMZDQP-HUUCEWRRSA-N 315.373 -0.268 30 20 DBED CN(CCOCCNC(=O)c1cc[nH]n1)c1nccnc1C#N 1115171136 LUIFARHYSCDWCI-UHFFFAOYSA-N 315.337 -0.046 30 20 DBED N#CCCCNC(=O)C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O 1117366567 WIVKRCRQARURND-QMMMGPOBSA-N 320.271 -0.314 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCN(c2ccccn2)CC1 1117437281 XNQBWOYHLOGJJS-UHFFFAOYSA-N 316.361 -0.504 30 20 DBED COCCO[C@@H]1C[C@@H](CO)CN(C(=O)NCC#CCO)C1 1119617770 UOGSEZVSEJDPER-CHWSQXEVSA-N 300.355 -0.963 30 20 DBED N#Cc1nc(=N[C@H](CO)CNC(=O)/C=C/c2ccco2)cc[nH]1 1121129601 VKKNBXRUUNPAFY-UFFNRZRYSA-N 313.317 -0.034 30 20 DBED Cn1cnc(C(=O)NC[C@@H](CO)Nc2cnc(C#N)cn2)c1 1121303110 LGZGXYFTIWQYAZ-JTQLQIEISA-N 301.310 -0.715 30 20 DBED N#Cc1ccc(C(=O)NC[C@H](CO)N=c2cc[nH]cc2C#N)[nH]1 1121317776 REOGKCWTPFTGNC-GFCCVEGCSA-N 310.317 -0.222 30 20 DBED C#CCN1CCN(c2nnc(CN3CCC[C@@H](O)C3)n2C)CC1 1121391664 NAPAVVSTUGBJMR-CQSZACIVSA-N 318.425 -0.473 30 20 DBED C=CCn1c(-c2cn(CCO)nn2)nnc1N1CCO[C@@H](C)C1 1121728215 DQPPBVAYHVGHPH-NSHDSACASA-N 319.369 -0.060 30 20 DBED Cn1cncc1CC(=O)NC[C@@H](CO)Nc1cnc(C#N)cn1 1121800366 OUKZLIZHPBLUCI-NSHDSACASA-N 315.337 -0.787 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)C[C@H]1COC(=O)C1 1125695730 OPDZRJQRGHYTMT-CYBMUJFWSA-N 323.393 -0.154 30 20 DBED C[C@H](NC(N)=O)C(=O)NCCNCc1ccc(C#N)c(F)c1 1126199429 SUCYDAVOFJZEBH-VIFPVBQESA-N 307.329 -0.040 30 20 DBED CC(C)C#CC(=O)NCCNC[C@H](O)COC[C@H]1CCCO1 1126823075 OCFHDKQPMBMHNP-LSDHHAIUSA-N 312.410 -0.092 30 20 DBED C[C@H](NC(N)=O)C(=O)N(C)C1CC(N=c2cc[nH]cc2C#N)C1 1126919953 JTWCLDUGWCTENL-GCVQQVDUSA-N 316.365 -0.167 30 20 DBED CNC(=O)CC(=O)NCC1=CCN(c2nccnc2C#N)CC1 1127623158 DNMSZIWHOARNNL-UHFFFAOYSA-N 314.349 -0.263 30 20 DBED C[C@H](CC(N)=O)C(=O)N1C[C@@H](NCC#N)[C@H](c2cncn2C)C1 1131044234 UJFOLQRZSVNFNP-IJLUTSLNSA-N 318.381 -0.661 30 20 DBED CC#CCN1C[C@H]2C[C@H]3CN(C(=O)CN(C)C(C)=O)C[C@@]3(C1)O2 1131195474 YJDZLKPWVVZVMQ-ZMSDIMECSA-N 319.405 -0.210 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1ncc(Cl)s1 1131293704 CCUGULHTZOXSKE-UHFFFAOYSA-N 301.759 -0.244 30 20 DBED CC[C@H](C)OCC(=O)N1CCC(=O)NCCN(CC#N)CC1 1131351376 KZBFLKKCXJPCHP-ZDUSSCGKSA-N 310.398 -0.024 30 20 DBED C=CCN1CCN([C@@H]2CCCN(C(=O)CC(=O)NC)C2)C(=O)C1 1131712290 QVZPXULBMURFHR-CYBMUJFWSA-N 322.409 -0.556 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CC[C@@H](C)N(CC(=O)NC(N)=O)C1 1132021219 LKXYKTKMTCSAHQ-VXGBXAGGSA-N 308.382 -0.190 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)C1=COCCO1 1133583036 YSXMFLXNBYSCSP-NEPJUHHUSA-N 309.366 -0.503 30 20 DBED C#CCN[C@H](C)C[C@H](C)NC(=O)Cn1ccc(=O)n(C)c1=O 1134539800 FJKLBIXHDNECAK-NEPJUHHUSA-N 306.366 -0.947 30 20 DBED C=CCCn1cc(C(=O)NCCN[C@@H](C)C(=O)N(C)C)nn1 1135075213 BQIACOIJVMMMRH-NSHDSACASA-N 308.386 -0.350 30 20 DBED C#CCCN[C@H](C)C[C@H](C)NC(=O)CCn1cc[nH]c(=O)c1=O 1135686882 NEADZCKTXISJKK-OLZOCXBDSA-N 320.393 -0.177 30 20 DBED CC(C)N(C)CC(=O)N[C@@H](C)C[C@@H](C)NCC(=O)NCC#N 1146592292 IZRFFDIOIIXJMP-OLZOCXBDSA-N 311.430 -0.161 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CCc2n[nH]cc2C1 1147680398 XBDUDYZTQPVTMN-NWDGAFQWSA-N 317.393 -0.642 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cccnc1N(C)C 1151039337 JGGZCYYDYDNTGQ-UHFFFAOYSA-N 303.366 -0.784 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)[C@H](C)N1CCCCC1=O 1152169113 IQELEXSZAVOCIJ-STQMWFEESA-N 324.425 -0.216 30 20 DBED C#CCO[C@H](C)C(=O)NCCCNCC(=O)N(C)CC1CC1 1157869292 ISUWMYXLGPZNKJ-CYBMUJFWSA-N 309.410 -0.011 30 20 DBED COCC#CCNCCCNC(=O)CCNC(=O)[C@H]1C[C@@H]1C 1159240064 FLYAEQWEKCWDAP-KBPBESRZSA-N 309.410 -0.106 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)[C@H]2CCC(=O)NC2)C1=O 1161628041 LBTDVLSNMGUZDN-QWHCGFSZSA-N 322.409 -0.605 30 20 DBED CC(C)(O)CC(=O)NCCC1(CNCC(=O)NCC#N)CC1 1164373848 DGQAHKODWNLMEB-UHFFFAOYSA-N 310.398 -0.337 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)[C@]2(C)CCC(=O)N2)C1=O 1166097785 LAHIRGAGUDGTSL-WBMJQRKESA-N 322.409 -0.462 30 20 DBED Cc1ccc(C(=O)NCCCNCC(=O)NCC#N)c(O)n1 1167331148 UVDMYPMRWZTPJZ-UHFFFAOYSA-N 305.338 -0.555 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@@H]1CC(=O)N(CCC)C1 1167425171 MPWNXAGKHJUFTG-CYBMUJFWSA-N 322.409 -0.910 30 20 DBED C#CCN1CCC(C(=O)NCCCNCC(=O)N(C)C)CC1 1176925749 AFGYBMYGARBBBB-UHFFFAOYSA-N 308.426 -0.484 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)CC(=O)NCC3CC3)C[C@H]21 1177124341 JNARQBPQXZFYJK-CABCVRRESA-N 319.405 -0.162 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)[C@@H]2CCOC2)[C@H]1C 1179844672 WIYABPLRIJDPRT-RQJABVFESA-N 307.394 -0.260 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@]2(C)CNC(=O)C2)C1 1184499232 AQOQWVYVCYIRGA-IAQYHMDHSA-N 308.382 -0.995 30 20 DBED C[C@H]1C[C@@H](C(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)CCN1C 1185158151 NMJGDCMXXIJHEC-MELADBBJSA-N 321.425 -0.453 30 20 DBED C#CCNC[C@H]1CCN(C(=O)Cn2nc(C)n(C)c2=O)C[C@@H]1C 1185594558 FPHUSVDTPOLGNN-GXTWGEPZSA-N 319.409 -0.402 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CCCCC(=O)N2)C1 1185599594 BFFGZUMTBFPBIY-OLZOCXBDSA-N 322.409 -0.462 30 20 DBED Cn1cc(C(=O)N2C[C@@H](CNCC#N)C3(CCOCC3)C2)nn1 1186368905 XWEHJNIBKSKCLG-GFCCVEGCSA-N 318.381 -0.203 30 20 DBED COCC#CCN1C[C@@H]2CCN(C(=O)[C@@H](C)NC(C)=O)[C@@H]2C1 1186764556 UPAYYZSNVWOPRP-VHDGCEQUSA-N 307.394 -0.307 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)C[C@@H]2CCOC2)C1 1189489330 IXTNPOUPRCZZCN-UONOGXRCSA-N 307.394 -0.305 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@@H]1CCN(C(=O)c2cnnn2C)C1 1189935013 TWHDGPFWZNIMNP-VXGBXAGGSA-N 318.381 -0.901 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)[C@@]2(C)CNC(=O)C2)C1 1191490901 QPORDPFKFIWBKH-MLGOLLRUSA-N 322.409 -0.653 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CN(CCOCC(F)(F)F)C[C@H]1O 1191881731 JDRIZYXNUSCVKJ-IVZWLZJFSA-N 309.288 -0.114 30 20 DBED C=C(C)CCC(=O)N[C@@H]1CN(C[C@H](O)Cn2cccn2)C[C@H]1O 1193376617 GZASFKCMNYGXPI-RRFJBIMHSA-N 322.409 -0.238 30 20 DBED CCn1cnc(C(=O)N2CC[C@@H](N(C)CC(=O)NCC#N)C2)c1 1193487874 GEPGWRLVCHFMIC-GFCCVEGCSA-N 318.381 -0.311 30 20 DBED C=CCNC(=O)NC(=O)CN1CCCN(C(=O)[C@H](C)C#N)CC1 1195314591 NOCBVZKUUXRAKM-GFCCVEGCSA-N 321.381 -0.308 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)CN2CCC[C@@H]2C)C1 1196169103 OMKKLNWZOGEQLE-RRFJBIMHSA-N 309.410 -0.718 30 20 DBED C[C@H](C#N)C(=O)N1CCCO[C@@H](CNCCN2CCCC2=O)C1 1200116676 ZXYNOJZLMYSYMC-KGLIPLIRSA-N 322.409 -0.024 30 20 DBED C#CCOCCC(=O)N1CCC(NCC(=O)NCC#N)CC1 1200514299 SQVXZBZBSFGDCA-UHFFFAOYSA-N 306.366 -0.753 30 20 DBED N#CCNC(=O)CN[C@@H]1C[C@@H](NC(=O)C(F)F)C12CCC2 1202289951 KCFQCSQBLJLTLH-RKDXNWHRSA-N 300.309 -0.092 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)Cc1ccnn1C 1206906458 PPLRQFWMVOCQQS-DGCLKSJQSA-N 318.381 -0.961 30 20 DBED Cc1ncc(C(=O)N2CCC[C@@H](NCC(=O)NCC#N)C2)[nH]1 1207673063 VPORHBAACVUVCF-LLVKDONJSA-N 304.354 -0.448 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(Cc2ncccn2)C[C@H]1OC 1212032333 WCAQEOPGGYATHX-CHWSQXEVSA-N 306.366 -0.005 30 20 DBED CO[C@@H](C(=O)N[C@@H]1CN(CC#N)C[C@H]1OC)c1cnn(C)c1 1213221459 DVSXCZAWIUWWJF-JHJVBQTASA-N 307.354 -0.553 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2ncnn2C)C[C@H]1OC 1213961468 DZWIQOWIPCWCNM-YNEHKIRRSA-N 323.397 -0.278 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@H](CC)OCC)C[C@H]1C 1214255223 QUWSKQCMENHDNT-MCIONIFRSA-N 309.410 -0.013 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)Cc2ccon2)C[C@H]1C 1214375062 FLLLBVQGGWEMPK-YRGRVCCFSA-N 318.377 -0.209 30 20 DBED C#CCCCC(=O)N1C[C@@H](NCCN2C(=O)CNC2=O)[C@H](C)C1 1214527444 VYBGVVIRZMERJU-CHWSQXEVSA-N 320.393 -0.222 30 20 DBED C[C@@H]1CN(C(=O)c2csc(O)n2)C[C@H]1NCC(=O)NCC#N 1215357951 MWTHKGFQNYJRLL-RKDXNWHRSA-N 323.378 -0.461 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)C(C)(C)F)C1 1219096801 AJNLCZQMRHOMSF-AXFHLTTASA-N 301.362 -0.414 30 20 DBED N#Cc1cccc(CN2C[C@H](O)[C@H](NC(=O)CC(N)=O)C2)c1 1219403101 QNXLPNOFXJJEGJ-OLZOCXBDSA-N 302.334 -0.905 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@H](C)CC(F)F)C1 1220027568 IONWKVHSQALGPU-MXWKQRLJSA-N 319.352 -0.259 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)CCn2cccc2)C1 1220603346 FIXSSMYEKJKZLY-KGLIPLIRSA-N 320.393 -0.658 30 20 DBED C[C@H](O)CN1C[C@H](O)[C@H](NC(=O)CC#Cc2ccccc2)C1 1221046552 RMBBAMMJHGELAG-IMJJTQAJSA-N 302.374 -0.030 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)c2cc[nH]n2)CC1 1222417411 ZCLRMQFVSVASIO-UHFFFAOYSA-N 303.366 -0.399 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)[C@@H](CC)OC)CC1 1222574002 PRPJLZRSOAXANK-CQSZACIVSA-N 309.410 -0.011 30 20 DBED N#CCNC(=O)CN1CCC(NC(=O)[C@H]2CC2(F)F)CC1 1227191526 AWEPPXIDBHYOMU-SNVBAGLBSA-N 300.309 -0.138 30 20 DBED Cc1c[nH]c(C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NCC#N)n1 1229022453 BKUHFIDZYCBUKG-VXGBXAGGSA-N 318.381 -0.012 30 20 DBED N#CCN1CCS(=O)(=O)[C@@H](CCNC(=O)c2ccc[nH]2)C1 1230416820 RWIMAOBSPLIJCD-NSHDSACASA-N 310.379 -0.243 30 20 DBED C[C@H](C#N)C(=O)N(C)C[C@H]1CCN1CC(=O)NC1CCOCC1 1231247544 OVLZCYTWBCKHSB-TZMCWYRMSA-N 322.409 -0.026 30 20 DBED CO[C@@H](C(=O)N(C)C[C@@H]1CCN1CC(=O)NCC#N)C1CC1 1234049975 NEQLHRPCQMFWBT-GXTWGEPZSA-N 308.382 -0.416 30 20 DBED C#CCN(C)C(=O)C(=O)Nc1cccnc1N1CCOCC1 1321466154 XZMMEVLOZAYFHQ-UHFFFAOYSA-N 302.334 -0.052 30 20 DBED C[C@H](Cc1ccncc1)NC(=O)C(=O)N1CCO[C@@H](C#N)C1 1323774798 BAWYMKFTHKZOAL-YPMHNXCESA-N 302.334 -0.120 30 20 DBED CCS(=O)(=O)C[C@H](C)NC(=O)C(=O)Nc1cccc(C#N)n1 1326354115 RMPZKCFYNWPPDL-VIFPVBQESA-N 324.362 -0.169 30 20 DBED C[C@@]1(CO)CCCN1C(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1329721743 BWSQYPDTCSLGHS-CJNGLKHVSA-N 320.393 -0.441 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)Nc1cccc(C(N)=O)n1 1331783761 JCCMQBXEOBCQGG-SNVBAGLBSA-N 318.333 -0.336 30 20 DBED C=CCn1cc(CNC(=O)C(=O)NCCn2ccnc2)nn1 1332030555 VWCAFERDGDZESM-UHFFFAOYSA-N 303.326 -0.907 30 20 DBED C=CCOCCn1nnnc1N1C[C@H](C)S(=O)(=O)[C@H](C)C1 1337243357 VDPDGLVSHUOGHW-PHIMTYICSA-N 315.399 -0.113 30 20 DBED C#Cc1ccc(NC(=O)C(=O)N2CC[C@H](O)[C@H](CO)C2)cc1 1337366840 XKNNRWFDKIETBG-JSGCOSHPSA-N 302.330 -0.192 30 20 DBED C=CCn1cnnc1S(=O)(=O)[C@H](C)C(=O)NCCCOC 1340156179 GMMSWZYWPUXPNA-SNVBAGLBSA-N 316.383 -0.221 30 20 DBED O=C(NCCCCCO)NCCN/C(O)=C1\N=CC=CC1=O 1344115879 JBGNSTNHFSUVGH-OUKQBFOZSA-N 310.354 -0.025 30 20 DBED C=CCC1(O)CCN(c2nnnn2C[C@@H]2COCCO2)CC1 1352247422 ATNNQZSIPINZKL-GFCCVEGCSA-N 309.370 -0.004 30 20 DBED C#CCSCCn1nnnc1N1CC[C@@H](S(C)(=O)=O)C1 1352339231 GWLBQBMOFDOZIR-SNVBAGLBSA-N 315.424 -0.337 30 20 DBED N#Cc1cn(CC(=O)N[C@H]2CC23CCOCC3)c(=O)nc1O 1362465378 YFMHVLPJNGWIIT-JTQLQIEISA-N 304.306 -0.494 30 20 DBED CNS(=O)(=O)N1CCN(C[C@H](O)c2cccc(C#N)c2)CC1 1364733518 XMXJHHNOGIVLOY-AWEZNQCLSA-N 324.406 -0.327 30 20 DBED CNC(=O)N[C@H]1CCCN(C(=O)[C@@H](C)n2cnc(C#N)n2)C1 1364787381 BKZQSBSMBALHPX-ZJUUUORDSA-N 305.342 -0.369 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CCCN(C(=O)CCNC(N)=O)C1 1373214185 JYQQRINYOJLFDC-QWRGUYRKSA-N 309.370 -0.346 30 20 DBED COc1ncc(C(=O)N2CC[C@H](NC(=O)[C@H](C)C#N)C2)cn1 1386106012 NYXMVPHIZIFWMW-KOLCDFICSA-N 303.322 -0.024 30 20 DBED N#Cc1ccc(C(=O)NC[C@@H](O)CNC(=O)C2CCOCC2)[nH]1 1391972532 XCAILVZBCGAXKE-LBPRGKRZSA-N 320.349 -0.480 30 20 DBED C[C@@H](C#N)C(=O)NCCN1CCN(CCN2CCCC2=O)CC1 1398264269 DQVYALCUGXJULJ-AWEZNQCLSA-N 321.425 -0.498 30 20 DBED C[C@@H](C#N)C(=O)N(CCNC(=O)CNC(=O)C1CC1)C1CC1 1398292940 MXYJSTNWTLCMJW-JTQLQIEISA-N 306.366 -0.221 30 20 DBED C[C@@H](C#N)C(=O)N1CCCO[C@H](CNC(=O)Cn2cccn2)C1 1406039468 ZCTCUNKEOOCISF-QWHCGFSZSA-N 319.365 -0.224 30 20 DBED N#Cc1ccc(C(=O)NC[C@@]2(O)CCS(=O)(=O)C2)c(F)c1 1412138152 NLODQHGLOIAZSM-ZDUSSCGKSA-N 312.322 -0.023 30 20 DBED COc1cc(CN2C[C@@H](C(N)=O)[C@@H](C(N)=O)C2)ccc1C#N 1414175475 ZKKYKNPIDRWGSZ-TXEJJXNPSA-N 302.334 -0.415 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CCCN(C(=O)[C@H]2CCCC(=O)N2)C1 1415960196 AGQVLJAHEZCWGP-SDDRHHMPSA-N 306.366 -0.078 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](C)CN(C)C(=O)c1ccc(C(N)=O)nc1 1425113735 TWRFJSPKCHLPGU-VHSXEESVSA-N 317.349 -0.083 30 20 DBED CNC(=O)NCCC(=O)N1CC2(CCN(C(=O)[C@@H](C)C#N)C2)C1 1426271829 FGGJLFXUWOIDEU-NSHDSACASA-N 321.381 -0.474 30 20 DBED C[C@H](C#N)C(=O)NCCN1CCN(C(=O)c2cncnc2)CC1 1427702691 LAPVLANYBWMCQP-GFCCVEGCSA-N 316.365 -0.490 30 20 DBED CCC(=O)NCC(=O)N1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 1427745329 KVUCHAZIHDFHNF-LLVKDONJSA-N 317.349 -0.257 30 20 DBED C[C@@H](C#N)C(=O)NC1CCN(C(=O)CCn2cnnn2)CC1 1429676421 LRFSYCLWCWQANL-JTQLQIEISA-N 305.342 -0.670 30 20 DBED C[C@@H](C#N)C(=O)N1CC(CNC(=O)[C@@H](C)CN2CCOCC2)C1 1430371881 UTVZLOWUQKXYRE-STQMWFEESA-N 322.409 -0.311 30 20 DBED C[C@@H](C#N)C(=O)N1CC(CNC(=O)[C@@H](C)S(C)(=O)=O)C1 1430406705 XAEKOVHNBBAACQ-DTWKUNHWSA-N 301.368 -0.846 30 20 DBED C[C@@H](CN1CCOCC1)C(=O)NC1CN(C(=O)[C@H](C)C#N)C1 1432258098 YWWDVHRYTHYOSU-NEPJUHHUSA-N 308.382 -0.559 30 20 DBED C[C@H](C#N)C(=O)N1CCC2(CC1)CN([C@H](C)C(=O)NC(N)=O)C2 1438619804 QPBNPEHZTRGVCA-GHMZBOCLSA-N 321.381 -0.346 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCCN(C(=O)CCNC(N)=O)C2)C1 1443438491 ANHVGQRZINZIQM-NSHDSACASA-N 321.381 -0.345 30 20 DBED Cc1oc(C#N)cc1C(=O)NCCc1nnc2n1CCNC2=O 1455771745 ARSXZUVAXVQGGO-UHFFFAOYSA-N 314.305 -0.233 30 20 DBED CCOCC1(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)CC1 1489594354 XXOJUYVLVSVMQW-UTUOFQBUSA-N 309.366 -0.349 30 20 DBED N#C[C@@]12CN(Cc3cc(C(=O)O)no3)C[C@H]1CS(=O)(=O)C2 1574241077 HAJWNPKPQZJJBI-UFBFGSQYSA-N 311.319 -0.257 30 20 DBED N#Cc1cncc(CNC(=O)[C@@H]2CCCN(CCN)C2=O)c1 1580081908 UOAPLTDMSWJYNS-ZDUSSCGKSA-N 301.350 -0.233 30 20 DBED C#CCN(C(=O)[C@H]1C[C@H]1C(=O)O)C1CCN(CC(=O)NC)CC1 1588459608 DNPAHRJLZBRDMK-QWHCGFSZSA-N 321.377 -0.621 30 20 DBED C=CCN(C)C[C@@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 1588625911 AYQSZAKTXPDBEU-LLVKDONJSA-N 319.369 -0.255 30 20 DBED CC#CCS(=O)(=O)NC(=O)c1cc(C)c(-c2nn[nH]n2)cn1 1588752869 WJFOHOIZEKBDRI-UHFFFAOYSA-N 320.334 -0.347 30 20 DBED N#Cc1nc(NC(=O)[C@H]2C[C@]23CCOC3)[nH]c1-c1nn[nH]n1 1592683717 XRPNFNOHNRHXNC-INWYIAFRSA-N 300.282 -0.173 30 20 DBED N#CCC1(CS(=O)(=O)N2CCC[C@H](O)[C@H]2C(=O)O)CC1 1601063514 YBZIGOCBYUPGND-UWVGGRQHSA-N 302.352 -0.080 30 20 DBED N#Cc1ccc(S(=O)(=O)NC[C@@]2(C(=O)O)CCOC2)o1 1601111389 ABTNLMQDNJSCLE-NSHDSACASA-N 300.292 -0.079 30 20 DBED C#CCN(C)C(=O)C(=O)N1CCc2ccc(-c3nn[nH]n3)cc21 1602716699 MKIZGHBOJVWVRK-UHFFFAOYSA-N 310.317 -0.153 30 20 DBED CC(C)(CCNC(=O)C(=O)N1CC[C@@](O)(CC#N)C1)C(=O)O 1602938737 UVBVTBNDOWEWRG-AWEZNQCLSA-N 311.338 -0.519 30 20 DBED CCC(CC)(C(=O)O)C(=O)Cn1c(=O)c(C#N)cn(C)c1=O 1604986816 AISQFZSEELKPQZ-UHFFFAOYSA-N 307.306 -0.121 30 20 DBED COCCCNC(=O)Cn1c(C)nc(C#N)c1-c1nn[nH]n1 1605089270 RHRYHEJSIMVNHA-UHFFFAOYSA-N 304.314 -0.604 30 20 DBED N#C[C@]12CN(C(=O)c3cc(C(=O)O)n[nH]3)C[C@H]1CS(=O)(=O)C2 1605590797 LZBBVHUUKOPEHC-JVXZTZIISA-N 324.318 -0.882 30 20 DBED N#Cc1nc(=NCCNc2ncccc2-c2nn[nH]n2)cc[nH]1 1606398508 HBVUQIOWNGUKKJ-UHFFFAOYSA-N 308.309 -0.131 30 20 DBED N#Cc1cncc(NCCN(CCO)C(=O)[C@H]2C[C@H]2C(=O)O)n1 1608222741 KDVSNUPHWIKUKA-WDEREUQCSA-N 319.321 -0.698 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCN(CCN2C(=O)CCC2=O)C1 1665543052 QSYDRYLRJWWZJK-CYBMUJFWSA-N 321.377 -0.634 30 20 DBED N#CCNC(=O)CNC[C@H]1CCCN1C(=O)c1ncccn1 1715213209 VZWYLVMHNAMWNK-LLVKDONJSA-N 302.338 -0.689 30 20 DBED CC#CCN1CCN(CCCNC(=O)[C@H]2CCC(=O)N2)CC1 1752342287 WJTMPQPHIUHPHU-CQSZACIVSA-N 306.410 -0.588 30 20 DBED C=CCNC(=O)CN[C@@H](C)CNC(=O)C(=O)Nc1cc(C)on1 1752918277 XXPIEJDELZHORG-VIFPVBQESA-N 323.353 -0.682 30 20 DBED C[C@@H]1CN(C(=O)CC2(O)CCC2)CC[C@@H]1NCC(=O)NCC#N 1753754874 ZUJOPYABAYKNCV-OLZOCXBDSA-N 322.409 -0.242 30 20 DBED C=CCNC(=O)CNC[C@H]1[C@H](C)CCCN1C(=O)CC(N)=O 1753806050 VBGYTOLAVPHNAE-NEPJUHHUSA-N 310.398 -0.619 30 20 DBED C#CCCCC(=O)N1CC[C@@H]2[C@H](CCN2CC(=O)NC(N)=O)C1 1753873230 VFIRMGOCHJLHRB-CHWSQXEVSA-N 320.393 -0.092 30 20 DBED CC(C)(C)C#CC(=O)NC[C@@H](O)CNC[C@H](O)Cn1cccn1 1753911933 YAUVFKLNCNBSEM-KBPBESRZSA-N 322.409 -0.640 30 20 DBED Cc1c(CCC(=O)N[C@@H](C)CNCC(=O)NCC#N)cnn1C 1754268743 MSTNZBUFYQCKSW-NSHDSACASA-N 320.397 -0.605 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H](C)CN(C)CC(=O)NCC#N 1754312528 BPASPIBXURGLIQ-KGLIPLIRSA-N 319.409 -0.840 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(N[C@H](C)c2nnnn2C)CC1 1754513038 FJNSAKPBMQTRRR-MFKMUULPSA-N 308.386 -0.163 30 20 DBED Cn1ccc(CN2CC(O)(CNC(=O)CSCC#N)C2)n1 1754763600 YKTKEWVFXCRURR-UHFFFAOYSA-N 309.395 -0.660 30 20 DBED C=CCC[C@H](C)N1CC(O)(CNC(=O)[C@H]2CC(=O)N(C)C2)C1 1754768204 FHIGKASXZZDQBR-STQMWFEESA-N 309.410 -0.018 30 20 DBED C#CCC1(C(=O)NCC2(O)CN(CC(=O)NC)C2)CCCCC1 1754781097 QVBAWVABZRRTJR-UHFFFAOYSA-N 321.421 -0.131 30 20 DBED C=CCNC(=O)CNC1(CNC(=O)[C@H]2CN(C)CCO2)CCC1 1754979203 HMCSEQNOQQZHFO-CYBMUJFWSA-N 324.425 -0.752 30 20 DBED C#CCCN[C@]1(CO)CCCN(C(=O)C[C@@H]2CCN(C)C2=O)C1 1755086251 QCDQWOHBPHMQLZ-WMLDXEAASA-N 321.421 -0.179 30 20 DBED C#CCNC(=O)CN[C@H]1CN(C(=O)c2c[nH]nc2C)C[C@H]1C 1755114162 LWEJGEIMCCWIRR-MFKMUULPSA-N 303.366 -0.482 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)CNS(=O)(=O)NC)C[C@@H]1C 1755159914 DSYQGJKPGCBDKZ-NWDGAFQWSA-N 318.443 -0.415 30 20 DBED C#CCCN1C[C@H](NC(=O)CNS(=O)(=O)CC)C(C)(C)C1 1755411643 FNHLTZQGKUNDEA-LBPRGKRZSA-N 315.439 -0.224 30 20 DBED Cc1ccn(CC(=O)NCCOCCN(C)CC#N)c(=O)c1 1755544634 YPSXEVKMDQEGCT-UHFFFAOYSA-N 306.366 -0.255 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H](C)N(C)C(=O)CCn1cnnn1 1756026331 DXKVXYUQODALBW-NWDGAFQWSA-N 322.369 -0.935 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H](CO)CNC(=O)c1ncccc1F 1756544707 CRASBGOTZKDXSE-MNOVXSKESA-N 323.324 -0.534 30 20 DBED CC(C)C#CC(=O)N[C@H](CO)CNC(=O)C1(CN(C)C)CC1 1756546231 YFTQASTZMNUHTE-ZDUSSCGKSA-N 309.410 -0.419 30 20 DBED C=CCCC(=O)N(C)C[C@H](O)CNC(=O)c1cn(C)ccc1=O 1756656101 QEFQBZGYNZMTRN-GFCCVEGCSA-N 321.377 -0.099 30 20 DBED C=C[C@](C)(O)CC(=O)N(C)C[C@@H](O)CNC(=O)c1cccnc1 1756660262 DBYSBRCWDPJNOH-BBRMVZONSA-N 321.377 -0.042 30 20 DBED CCn1ccnc1C(=O)N(C)C[C@@H](O)CNC(=O)C#CC1CC1 1756660955 PERNRHCLUNFBNE-ZDUSSCGKSA-N 318.377 -0.135 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@H](NC(=O)C[C@@H](C)COC)C1 1757206571 QKGCUQKATNEZML-UPJWGTAASA-N 314.382 -0.451 30 20 DBED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1780335907 PWYMKRKAZZVZOI-INIZCTEOSA-N 312.329 -0.037 30 20 DBED C/C=C(\C)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783566703 ZGKKOSIHLSJEHH-SCRJODNZSA-N 320.345 -0.130 30 20 DBED CC(=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CCC1 1801979401 FHGOCOGLSMYZTD-CLLJXQQHSA-N 319.361 -0.141 30 20 DBED O=C(Cn1cnnn1)N1CC2(CCCN2C(=O)C#CC2CC2)C1 1841540417 DELXAHIQROAYMT-UHFFFAOYSA-N 314.349 -0.710 30 20 DBED C[C@H](C#N)S(=O)(=O)NCCc1ccc(S(N)(=O)=O)cc1 88477374 CUEBDZVHRBRBKT-SECBINFHSA-N 317.392 -0.292 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(C)CCN(C)C2CC2)C1=O 274543289 FRAAQAOIYBKNNM-UHFFFAOYSA-N 322.365 -0.484 30 20 DBED N#Cc1ccc2c(c1)N(C(=O)C(=O)N(CCO)CCCO)CC2 275964259 RMQKOZHQLNDLDS-UHFFFAOYSA-N 317.345 -0.349 30 20 DBED CC(C)N1C[C@H](NC(=O)NCCn2cnc(C#N)n2)CC1=O 286893307 FAMKLPFELBEWRF-SNVBAGLBSA-N 305.342 -0.542 30 20 DBED C=CCN(C)C(=O)C(=O)N[C@H]1CCN(c2cc(C)nn2C)C1=O 288016267 CCOMHGJYWQIDCA-NSHDSACASA-N 319.365 -0.406 30 20 DBED C[C@@H](NC(N)=O)C(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 292362340 YBBPMZWTKJZOAZ-KOLCDFICSA-N 303.322 -0.010 30 20 DBED C=C1CCN(C(=O)CN2CCN(S(C)(=O)=O)CC2)CC1 329949539 LLSHDGMRDRCHCA-UHFFFAOYSA-N 301.412 -0.258 30 20 DBED CCN1CCN(C/C(O)=N/Cc2ncnn2CC)C(=O)C1=O 330061003 NQIAEPOIOFKLCH-UHFFFAOYSA-N 308.342 -0.555 30 20 DBED C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)N(C)CCC#N 330866458 XSVTVAQQCYHCFT-NSHDSACASA-N 321.424 -0.248 30 20 DBED COC[C@H](C)/N=C(/O)NC(=O)CN1CCSC[C@@H]1CO 330866569 ZOJOLKWDTZXFKC-UWVGGRQHSA-N 305.400 -0.539 30 20 DBED Cn1cc(S(=O)(=O)NCC(=O)N[C@H](C#N)C(C)(C)C)cn1 331222307 YUTRUHDRLWKWSD-SNVBAGLBSA-N 313.383 -0.247 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)NCC1(S(C)(=O)=O)CC1 331739063 DRKBBEAAMHMRJC-JTQLQIEISA-N 323.440 -0.120 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@]2(C)CCO[C@@H]2C)C1=O 332897952 POYVXEZSXVIVDB-OTYXRUKQSA-N 309.322 -0.353 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1CC[C@H](CO)[C@@H]1C 337150490 IVSPVVGQTCLZRP-NWDGAFQWSA-N 305.400 -0.204 30 20 DBED CNC(=O)[C@H](CCSC)NS(=O)(=O)N(C)[C@@H](C)CC#N 341664628 HOVGOXZLNBPDOR-UWVGGRQHSA-N 322.456 -0.078 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N[C@H]1CS(=O)(=O)C[C@H]1C 341949367 HMFZPCSINRVHJA-BBBLOLIVSA-N 309.413 -0.655 30 20 DBED Cc1cc(NC(=O)C(=O)N2CC[C@@H](C)[C@@H](O)C2)nn1CCC#N 357725622 BDSVKZWJLZOCEF-PWSUYJOCSA-N 319.365 0.273 30 20 DBED C=CCOC[C@@H](NC(=O)[C@@H](C)CS(C)(=O)=O)C(=O)OC 360739825 TWRWHYWYVFLVQI-VHSXEESVSA-N 307.368 -0.473 30 20 DBED CN(C)C(=O)[C@@H]1CC[C@H](CNS(=O)(=O)CC2(C#N)CC2)O1 361812839 JACVPFIVYZXWJK-MNOVXSKESA-N 315.395 -0.155 30 20 DBED CCN1C(=O)[C@@H]2CN(CCC(=O)N(C)CCC#N)CCN2C1=O 378421110 WZVRBGNQILDNHZ-LBPRGKRZSA-N 321.381 -0.283 30 20 DBED CN1CCN(C(=O)CCNC(=O)N2CCO[C@H](C#N)C2)CC1 408096264 YSDXECRFSOJTJR-GFCCVEGCSA-N 309.370 -0.916 30 20 DBED CCS(=O)(=O)N1CCC[C@H](C(=O)N2CC(O)(CC#N)C2)C1 408159939 SKVZSTIFTRHJMV-NSHDSACASA-N 315.395 -0.465 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N1CCSC[C@H]1C(=O)O 417449653 ABSRGOGOAGQRQB-BDAKNGLRSA-N 307.397 -0.175 30 20 DBED CN(C)c1noc(CNS(=O)(=O)c2cccnc2C#N)n1 433888520 QXSZEMGUEVEKBX-UHFFFAOYSA-N 308.323 -0.119 30 20 DBED Cc1cc(NC(=O)C(=O)N2C[C@@H](O)C(C)(C)C2)nn1CCC#N 448432138 KGWWDKCAKZJMOH-LLVKDONJSA-N 319.365 0.273 30 20 DBED C#CCNS(=O)(=O)c1cccc(C(=O)Nn2cnnc2O)c1 490913622 DOXIJZVCGAIMNJ-UHFFFAOYSA-N 321.318 -0.721 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2cncc(C#C)c2)CC1 491097088 ZBIUVIFCSNFGNL-UHFFFAOYSA-N 310.357 -0.430 30 20 DBED C#CCN1CCC(C(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)CC1 491690613 BZQCCHARVBLESP-CYBMUJFWSA-N 313.423 -0.518 30 20 DBED N#CCC(=O)N1CCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 565183453 RKJUKIXEPIHWEZ-UHFFFAOYSA-N 318.293 -0.230 30 20 DBED CCN(CCC#N)S(=O)(=O)NCCN1CCO[C@H](C)C1 574533333 FDRLLPNJORGWDO-GFCCVEGCSA-N 304.416 -0.223 30 20 DBED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCC(O)CC2)c1 581002628 OZZNKSLLWBRKFU-UHFFFAOYSA-N 323.374 -0.180 30 20 DBED CN(CCC#N)S(=O)(=O)N[C@@H](COC(C)(C)C)C(=O)O 584128856 PAVXGYFKEGDRQJ-VIFPVBQESA-N 307.372 -0.065 30 20 DBED N#CCc1ccc(OC[C@@H](O)CN[C@@]2(C(N)=O)CCOC2)cc1 594035398 LOGCFHDKRHEDAB-BBRMVZONSA-N 319.361 -0.274 30 20 DBED COC(=O)Cc1ccc(S(=O)(=O)NCC#CCO)cc1F 601456278 HMFUZUIZEQMZSE-UHFFFAOYSA-N 315.322 -0.185 30 20 DBED C[C@H]1[C@H](CO)CCCN1C(=O)C(=O)N1CCN(CCC#N)CC1 601497964 KFHBTWLPJLJHOB-KBPBESRZSA-N 322.409 -0.336 30 20 DBED Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)N1CC(C)(C#N)C1 614314213 ZXLDSYSQSFBRPG-UHFFFAOYSA-N 310.335 -0.773 30 20 DBED CCO[C@H]1CCCN(S(=O)(=O)N2CCO[C@H](C#N)C2)C1 619708127 FSZJEFYLSFERQY-NWDGAFQWSA-N 303.384 -0.044 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C)c2nccn2C)C1=O 620594511 DUTDQTGXDMBBLB-VIFPVBQESA-N 319.321 -0.426 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@H]3CCC[C@]3(N)C2)C1=O 621698469 YOKYWXRTQFCTMT-BMIGLBTASA-N 320.349 -0.697 30 20 DBED C=CCCOCCNC(=O)C(=O)N1CCO[C@@H](COCC)C1 636826458 MEXVRBBONUTAQS-CYBMUJFWSA-N 314.382 -0.041 30 20 DBED CC#CC[C@H](CO)NC(=O)N[C@@H]1CCOC[C@H]1OCCOC 645454308 PYPXDVQZAPXTJW-MGPQQGTHSA-N 314.382 -0.120 30 20 DBED CC(C)NS(=O)(=O)c1ccc(C(=O)NCC(=O)NO)cc1 671996017 MBNXFXSMRWBDTL-UHFFFAOYSA-N 315.351 -0.392 30 20 DBED C#CCNC(=O)CN1CCN([C@@H](C)C(=O)N2CCCC2)CC1 728573059 JSGYJSLYXYYJJY-AWEZNQCLSA-N 306.410 -0.636 30 20 DBED N#CCNC(=O)COC(=O)Cn1cc(Br)cn1 731243040 ZFLPUXMSUSTTEO-UHFFFAOYSA-N 301.100 -0.171 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(Cc2cnc(C)cn2)c1=O 749457116 AZBMKYSGCBDULF-UHFFFAOYSA-N 315.333 -0.310 30 20 DBED C#CCOCCNC(=O)CNS(=O)(=O)c1cccs1 753233818 CCCGCXJVBGOWNW-UHFFFAOYSA-N 302.377 -0.208 30 20 DBED COC[C@@H](NS(=O)(=O)c1ccc(C#N)cc1F)C(N)=O 758479799 FKBYAJIOBODPIR-SECBINFHSA-N 301.299 -0.524 30 20 DBED COCC(=O)N(C)CC(=O)NCCNc1ncccc1C#N 758688525 SQQKWVCGQYIOLL-UHFFFAOYSA-N 305.338 -0.414 30 20 DBED CCOC(=O)CON=C(C(=O)NCCN(C)C)c1cc[nH]n1 770814318 XCXBBEDTWGWARX-UHFFFAOYSA-N 311.342 -0.629 30 20 DBED COCCNC(=O)[C@@H](C#N)C(=O)/C=C\c1cnc(OC)nc1 773976956 SWUADVHBQNWQFF-BYCRGOAPSA-N 304.306 -0.030 30 20 DBED CC(C)[C@H](C#N)N1CCN(C(=O)CN2C[C@@H]3C[C@@]3(CO)C2)CC1 782625772 ZRWFQARVQSJGRF-ZOBUZTSGSA-N 320.437 -0.007 30 20 DBED C#CCOCCNC(=O)C(=O)Nc1ccc2c(c1)CC(=O)N2 785164533 JLIHUGAQLJCUMN-UHFFFAOYSA-N 301.302 -0.114 30 20 DBED C#CC1CCN(CC(=O)NCCCN(C)S(C)(=O)=O)CC1 830321191 AOYRNLSRDKDZLO-UHFFFAOYSA-N 315.439 -0.271 30 20 DBED Cc1cc(C(=O)N[C@H]2CNC[C@@H]2C#N)cc(S(N)(=O)=O)c1C 843461185 KKAQGXIDGHCLPA-RYUDHWBXSA-N 322.390 -0.208 30 20 DBED C#CCN1CCC(C(=O)N2CCN(Cc3nc[nH]n3)CC2)CC1 846525927 WWDOCFONVXIDBS-UHFFFAOYSA-N 316.409 -0.206 30 20 DBED C#CCN(CC(=O)N1C[C@@H](CO)[C@@H](O)C1)C(=O)OC(C)(C)C 854910072 NYNZILUUZCESOO-RYUDHWBXSA-N 312.366 -0.332 30 20 DBED COC[C@H](C#N)OC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2s1 857065894 BOXWYWDKPQCRGG-ZETCQYMHSA-N 323.330 -0.006 30 20 DBED C[C@@]1(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)C[C@H](O)CN1 911637897 YANKDRAXRPNZOF-BBRMVZONSA-N 315.377 -0.285 30 20 DBED CNC(=O)[C@@H](C#N)C(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1 917002621 LYWOPAZAVKLNSO-JQWIXIFHSA-N 313.317 -0.439 30 20 DBED C#CCN1CCC[C@H](NC(=O)CCC[C@@]2(C)NC(=O)NC2=O)C1 923570370 JHRUKJAKTQQZLQ-BLLLJJGKSA-N 320.393 -0.031 30 20 DBED CN1CC[C@@H](CC(=O)N[C@H]2CCN(C(=O)C#CC3CC3)C2)C1=O 938119515 AFSIFRVRIPPVTJ-KBPBESRZSA-N 317.389 -0.015 30 20 DBED CN(C(=O)C[C@H]1CCC(=O)N1)C1CN(C(=O)C#CC2CC2)C1 954748876 KFEDQIJZGYZEQZ-GFCCVEGCSA-N 303.362 -0.262 30 20 DBED CN(C(=O)c1cnon1)C1CN(C(=O)c2c[nH]c(C#N)c2)C1 955088840 VSAHTUDHSBANRN-UHFFFAOYSA-N 300.278 -0.134 30 20 DBED C=CCN1C[C@@H](O)[C@@H](CNC(=O)c2ccc3nc(O)[nH]c3n2)C1 958344054 DRMFOZXLBMZASI-JOYOIKCWSA-N 317.349 -0.128 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cc2ccc[nH]2)C1 958861291 FYHQMPKPMSJUQR-DRZSPHRISA-N 304.350 -0.253 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H]2CN(C(=O)c3cnco3)C[C@@H]21 960879525 RMGJDBDQAVWRPC-JBLDHEPKSA-N 304.306 -0.114 30 20 DBED Cc1[nH]nc(C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2O)c1C 961963801 PEQRIAMKTJGWFG-OLZOCXBDSA-N 316.361 -0.259 30 20 DBED C#CCN1C[C@H]2[C@H](NC(=O)c3cn([C@@H]4CCOC4)nn3)[C@H]2C1 962221345 IOIFNASQKNUQER-NMKXLXIOSA-N 301.350 -0.467 30 20 DBED Cc1cc(C(=O)NC[C@H]2COCCN2C(=O)[C@H](C)C#N)ncn1 964150772 RGBOTCYIICQOJL-PWSUYJOCSA-N 317.349 -0.098 30 20 DBED C=C(C)C(C)(C)C(=O)N1CC2(CN(C(=O)CC(N)=O)CCO2)C1 965332291 HAMRKHRKRUOXSY-UHFFFAOYSA-N 323.393 -0.096 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H](NC(=O)C(N)=O)C2)nc1 981847553 GCBVZMIWLUHLFI-NWDGAFQWSA-N 314.345 -0.437 30 20 DBED C#CCN[C@H]1CCN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)[C@H]1C 987188418 IRMPFEQJHGOYRN-JQWIXIFHSA-N 314.349 -0.717 30 20 DBED O=C(Cn1cccn1)N[C@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1O 991284446 MJQDNMAMIMOKAJ-KBPBESRZSA-N 316.361 -0.626 30 20 DBED N#CCN1CC[C@]2(NC(=O)C[C@H]3CC(=O)NC3=O)CCC[C@@H]12 992547927 PEPXFHCSZJUOHY-UEKVPHQBSA-N 304.350 -0.324 30 20 DBED N#CCN[C@@H]1CCC[C@@H]2CN(C(=O)Cn3c(O)nnc3O)C[C@H]21 992871757 KYQMZHTYPLKSII-GMTAPVOTSA-N 320.353 -0.570 30 20 DBED N#CCN[C@@H]1CCC[C@H]2CN(C(=O)CN3C(=O)CNC3=O)C[C@H]21 992903750 RXUXMZCPNFUKIR-QJPTWQEYSA-N 319.365 -0.722 30 20 DBED C#CCN[C@@H]1CN(C(=O)CN2CCCS2(=O)=O)CC1(C)C 995890104 ZGDMZUBHGOBZPK-GFCCVEGCSA-N 313.423 -0.518 30 20 DBED C[C@H](C#N)C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cn1cnnc1O 996121027 QDKBEEURFLLCNA-ZNSHCXBVSA-N 318.337 -0.609 30 20 DBED O=C1CC[C@H](N[C@@H]2CCCN(C(=O)C#CC3CC3)C2)C(=O)N1 999130570 WPGABSBXOHLVKK-OLZOCXBDSA-N 303.362 -0.214 30 20 DBED C#CCN[C@H]1CCCN(C(=O)[C@H]2CCc3nnnn3CC2)C1 1000250155 LSEPGDFMTQIXKI-STQMWFEESA-N 302.382 -0.161 30 20 DBED C[C@@H](C#N)C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cn1cncn1 1006445417 NYXQMJKCWXUGMP-QCNOEVLYSA-N 302.338 -0.314 30 20 DBED C[C@H]1[C@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)CC(N)=O 1011591671 PNFCQWYVHYHJLX-GZMMTYOYSA-N 303.322 -0.519 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)C(N)=O)[C@H]2C)nc1 1012014768 GJQYCXMNIUSHLX-ONGXEEELSA-N 300.318 -0.733 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2C[C@H](C)N(C(=O)CC(N)=O)C2)nc1 1012407435 HELDGSQUYQUHFE-CMPLNLGQSA-N 314.345 -0.343 30 20 DBED C#Cc1cncc(C(=O)NC2[C@@H]3CN(C(=O)c4cnn[nH]4)C[C@@H]23)c1 1013748031 MCSYMAJXNLFLEC-VXGBXAGGSA-N 322.328 -0.319 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H](CN(C)Cc2nc(=O)n(C)[nH]2)C1 1017075490 AYXUWXGDASWHOU-VXGBXAGGSA-N 320.397 -0.062 30 20 DBED C=CCN1CC[C@@H](N[C@H]2CCN(C(=O)c3ncn(C)n3)C2)C1=O 1018811265 QZWPWDQWGJHSDK-NWDGAFQWSA-N 318.381 -0.594 30 20 DBED C[C@H](C#N)C(=O)N1CCC2(C1)CN(C(=O)[C@H]1CCC(=O)N1)C2 1018874772 JDSPCBQSZRKPJT-GHMZBOCLSA-N 304.350 -0.514 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCN(C(=O)Cn3cncn3)C2)C1 1019366459 DSIVSCFWWBYJPL-NSHDSACASA-N 302.338 -0.501 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H]1CN(C(C)=O)CCCO1 1019612034 VYQUIRHPFDUBGG-GJZGRUSLSA-N 307.394 -0.162 30 20 DBED C=CCN1CC[C@H](N[C@H]2C[C@@H](NC(=O)Cc3cnc[nH]3)C2)C1=O 1022775656 CAJXVNDKZGTZPT-SCRDCRAPSA-N 317.393 -0.024 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2nnc(C)o2)C1 1023595169 YTYYIVXAFPXUHP-GHMZBOCLSA-N 322.365 -0.179 30 20 DBED C#CCN[C@@H]1CC[C@@H]2CN(C(=O)CN3C(=O)CN(C)C3=O)C[C@H]21 1026415879 NDTPTVHHFGSWAB-JHJVBQTASA-N 318.377 -0.660 30 20 DBED CC(C)(C)N1C[C@@H](C(=O)NC[C@H]2CN(CC#N)CCO2)CC1=O 1035393178 XVVHSKLASRAHSI-STQMWFEESA-N 322.409 -0.026 30 20 DBED CC#CCN1CCO[C@H](CNC(=O)c2cn3c(n2)COCC3)C1 1035421846 WFXUJBHVCPSPPW-CYBMUJFWSA-N 318.377 -0.133 30 20 DBED C#CCCN1CC2(CCN(C(=O)c3nnc(O)nc3O)CC2)C1 1035745570 YONNJHJNCMJAPW-UHFFFAOYSA-N 317.349 -0.156 30 20 DBED N#Cc1cc(C(=O)NC[C@@H]2CCN2CC(=O)NC2CC2)c[nH]1 1038174411 GVEPHVSAMIXLIJ-ZDUSSCGKSA-N 301.350 -0.031 30 20 DBED C#CCN1CCC(C(=O)NC[C@@H]2CCN2[C@H]2CCNC2=O)CC1 1039041457 CVPVNGCOBJVIHX-GJZGRUSLSA-N 318.421 -0.589 30 20 DBED CC(C)C#CC(=O)N1CC[C@@](O)(CNC(=O)c2nc[nH]n2)C1 1040550772 MZPMIUDXJMWOHG-CQSZACIVSA-N 305.338 -0.843 30 20 DBED C[C@@H](C(=O)NCC1(O)CN(C(=O)[C@H](C)C#N)C1)n1cccn1 1041614626 ZXHVJKWKHAJVAU-MNOVXSKESA-N 305.338 -0.707 30 20 DBED C[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1NC(=O)c1cn(C)nn1 1041858447 XNEYZVQNHKWSAU-NXEZZACHSA-N 312.337 -0.269 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)CN(C)C(C)C)C1 1043429011 WLHMXLMPQGAAMB-UHFFFAOYSA-N 309.410 -0.180 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)[C@H]2CO[C@@H](C)C2)C1 1043626489 QXYZWAAYPUZKNS-QWHCGFSZSA-N 308.378 -0.240 30 20 DBED Cc1nc(C(=O)N[C@@H]2CN(c3cnc(C#N)cn3)C[C@@H]2O)co1 1043914693 QZNFEFNLRRTKBC-PWSUYJOCSA-N 314.305 -0.376 30 20 DBED N#Cc1cccnc1N1C[C@H](O)[C@H](NC(=O)Cc2ncc[nH]2)C1 1044117399 GEYQGDBZSMFMHI-NEPJUHHUSA-N 312.333 -0.415 30 20 DBED C=CCN1CC(N(C)C(=O)CN2CCS(=O)(=O)CC2)C1 1044289731 BBSCDPCFTABDTM-UHFFFAOYSA-N 301.412 -0.955 30 20 DBED N#Cc1ccc(C(=O)N2CC(O)(CNC(=O)CCCF)C2)[nH]1 1044842387 QHENCXDMCQJQHZ-UHFFFAOYSA-N 308.313 -0.061 30 20 DBED O=C(CCn1cccc1)NCC1(O)CN(C(=O)C#CC2CC2)C1 1045272246 CIGRRKQOOLGFFL-UHFFFAOYSA-N 315.373 -0.019 30 20 DBED N#Cc1cnc(N[C@H]2C[C@H](CNC(=O)[C@H]3CCNC3=O)C2)cn1 1046983039 VJZWMBJWNXFVOF-NHCYSSNCSA-N 314.349 -0.209 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)Cn2c(C)csc2=O)C1 1047624438 OZGSIVBXMOBHDH-RYUDHWBXSA-N 309.391 -0.645 30 20 DBED N#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCS(=O)(=O)N1 1049898789 DXOBSVHQMRLSFQ-GRYCIOLGSA-N 312.395 -0.733 30 20 DBED C=CCCOCC(=O)N[C@H](C)[C@H]1CCN(C(=O)CC(N)=O)C1 1050350301 PJGYBGGBBAAUCR-NEPJUHHUSA-N 311.382 -0.192 30 20 DBED CCC(=O)N1CCC[C@H](C(=O)NC[C@H]2COCCN2CC#N)C1 1050931853 QTOXOSGLNQHHQC-KBPBESRZSA-N 322.409 -0.024 30 20 DBED CC(=O)N1CCO[C@H](C(=O)N[C@@H]2CCCN(CC#N)CC2)C1 1052906160 SEBQIPGBPDNVHX-KGLIPLIRSA-N 308.382 -0.272 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)C1CN(C(C)=O)C1)CCO2 1053237172 VYZMCZIBQJZVPB-UHFFFAOYSA-N 305.378 -0.599 30 20 DBED C#CCN1CC2(C1)CN(C(=O)[C@H]1CC[C@@H](C(N)=O)C1)CCO2 1053430249 SZQLUXYLIORKMJ-OLZOCXBDSA-N 305.378 -0.566 30 20 DBED C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1CCNc1ccc(C#N)nn1 1053499949 AWGGMRGSAIIUBG-NXEZZACHSA-N 302.338 -0.270 30 20 DBED C#CCN1CC2(C1)CN(C(=O)c1cccn(C)c1=O)CCO2 1053511881 GFUNZNZJVWATCO-UHFFFAOYSA-N 301.346 -0.455 30 20 DBED CN1CCO[C@H](C(=O)NC[C@@H]2CCC3(CN(CC#N)C3)O2)C1 1053586331 QLDLPMMECSMMLR-STQMWFEESA-N 308.382 -0.810 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)[C@]3(C)CCC(=O)NC3)CO2)C1 1053903557 SWONMHSMFMLMNJ-XJKSGUPXSA-N 319.405 -0.115 30 20 DBED CCn1nncc1C(=O)N1CCN(c2nccnc2C#N)CC1 1055798802 KLFYVIADSXJWJS-UHFFFAOYSA-N 312.337 -0.078 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@](CO)(NC(=O)Cc2cc[nH]n2)C1 1055853535 YXQWPUBVKJPHGL-IAQYHMDHSA-N 319.365 -0.418 30 20 DBED CN1C[C@@H](C(=O)N2CCN(c3ccc(C#N)nn3)CC2)CC1=O 1056057347 SUVPVLZUYJTLTP-NSHDSACASA-N 314.349 -0.525 30 20 DBED CCCN(C)CC(=O)N1CCC[C@](CO)(NC(=O)[C@@H](C)C#N)C1 1056096835 KTEPJYZXFBIBBV-BBRMVZONSA-N 324.425 -0.042 30 20 DBED N#Cc1cccnc1N1C[C@H]2C(NC(=O)[C@H]3C[C@H]3C(N)=O)[C@@H]2C1 1056407819 ZKRQOZJWJWFCFV-WRWGMCAJSA-N 311.345 -0.375 30 20 DBED CN(c1ccnc(C#N)n1)[C@@H]1CCN(C(=O)c2ncn(C)n2)C1 1056909731 BDISFVSUVKFNHM-SNVBAGLBSA-N 312.337 -0.172 30 20 DBED CN(c1cnc(C#N)cn1)[C@H]1CCN(C(=O)Cn2cncn2)C1 1056919689 DYFIEIUAOYLUFI-LBPRGKRZSA-N 312.337 -0.323 30 20 DBED N#CCSCC(=O)N(CCO)CCNC(=O)c1ccon1 1057026579 DQIMDQMOJHVISH-UHFFFAOYSA-N 312.351 -0.518 30 20 DBED N#CCSCC(=O)N(CCO)CCNC(=O)c1ccncn1 1057030359 PBMFKTAVICMGNM-UHFFFAOYSA-N 323.378 -0.716 30 20 DBED COC(=O)[C@H]1C[C@H]1C(=O)N(CCO)CCNC(=O)C#CC1CC1 1057178366 VTIOYJQJGYMSLU-OLZOCXBDSA-N 322.361 -0.854 30 20 DBED N#Cc1nccnc1N1CCCN(C(=O)[C@@H]2CNC(=O)N2)CC1 1057216489 WEFONXMJAOUPOV-NSHDSACASA-N 315.337 -0.932 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)[C@H]1CCC(=O)NC1 1057445269 NSIFLLHQOQRDBU-ZDUSSCGKSA-N 323.393 -0.747 30 20 DBED CCO[C@H]1C[C@@H]1C(=O)NCCN(CCO)C(=O)C#CC1CC1 1057531110 FMCCGVRFJCTPBX-KBPBESRZSA-N 308.378 -0.238 30 20 DBED CN1CCO[C@H](C(=O)N[C@H]2CCN(c3nccnc3C#N)C2)C1 1058317470 XFYIAKGOEFGHJS-AAEUAGOBSA-N 316.365 -0.626 30 20 DBED Cn1ncc(C(=O)N[C@@H]2CCN(c3ccc(C#N)nn3)C2)c1N 1058343654 FBOXGKKWSDAXQL-SNVBAGLBSA-N 312.337 -0.327 30 20 DBED Cc1nnc(CC(=O)N[C@H]2CCN(c3ccc(C#N)nn3)C2)o1 1058347550 YIHVVOVTSRBXFY-NSHDSACASA-N 313.321 -0.023 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)[C@H](C1CC1)N(C)C 1058659425 YUOLQAQCLDCKGJ-YPMHNXCESA-N 310.398 -0.577 30 20 DBED N#Cc1nc(=N[C@H]2CCN(C(=O)C[C@@H]3COC(=O)C3)C2)cc[nH]1 1058874150 VUONVFGHUULXNT-QWRGUYRKSA-N 315.333 -0.264 30 20 DBED C=C[C@@H](C)[C@H](C)C(=O)NCCN(CCO)C(=O)Cn1cncn1 1058885204 GXHQGGAFFZWDJS-OLZOCXBDSA-N 323.397 -0.327 30 20 DBED N#Cc1cncc(N[C@H]2C[C@H](NC(=O)[C@H]3CCC(=O)NC3)C2)n1 1059463000 FSVFXEXOFWSZGF-DCAQKATOSA-N 314.349 -0.066 30 20 DBED O=C(C#CC1CC1)NCC[C@@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 1060063096 GZZLUJINWKKAMW-KGLIPLIRSA-N 317.389 -0.109 30 20 DBED CN(c1cncc(C#N)n1)[C@H]1CCCN(C(=O)CC(N)=O)C1 1061183029 VKTWATZJPSVZQX-NSHDSACASA-N 302.338 -0.349 30 20 DBED C=CCOCC(=O)NC[C@@H]1COCCN1C(=O)CCOCC 1061421479 QCJVKSTUKXWRMG-CYBMUJFWSA-N 314.382 -0.041 30 20 DBED C=CC(C)(C)C(=O)NC[C@H]1COCCN1C(=O)c1cn(C)nn1 1061752582 HVJJWYUPXIHVRK-NSHDSACASA-N 321.381 -0.016 30 20 DBED C=CCOCC(=O)NC1(CNC(=O)[C@@H]2CCNC(=O)C2)CCC1 1062794610 KPPIDKSRQRBALT-GFCCVEGCSA-N 323.393 -0.130 30 20 DBED CN(C(=O)[C@H]1C[C@H]1C(N)=O)[C@@H]1CCN(c2cnc(C#N)cn2)C1 1063032095 KZCWWEPCGFCCIW-UTUOFQBUSA-N 314.349 -0.493 30 20 DBED N#Cc1ccc(N2CCC3(CCN(C(=O)C(N)=O)CC3)C2)nn1 1063600023 MTJZYJVEVDSNNZ-UHFFFAOYSA-N 314.349 -0.348 30 20 DBED C=C[C@@](C)(O)CC(=O)NC1(CNC(=O)c2cnn(C)n2)CCC1 1063638638 GVLXENWUWCRWHB-CQSZACIVSA-N 321.381 -0.089 30 20 DBED Cc1cc(C#N)nc(N[C@H]2CCN(C(=O)C(N)=O)[C@H](C)C2)n1 1064821863 BZPDJPZTYIYGJJ-ZJUUUORDSA-N 302.338 -0.067 30 20 DBED Cc1nonc1C(=O)N1CCO[C@H](CNC(=O)C#CC(C)C)C1 1065306631 SIQNINICIHCFEU-GFCCVEGCSA-N 320.349 -0.005 30 20 DBED Cn1nnc(C(=O)N[C@@]2(C)CCN(c3ccnc(C#N)n3)C2)n1 1065317653 YZRHXIIJJDAUFP-ZDUSSCGKSA-N 313.325 -0.729 30 20 DBED C[C@@]1(NC(=O)[C@@H]2CNC(=O)N2)CCN(c2ccc(C#N)nn2)C1 1065324458 AQMWFGQZPDMXBD-IINYFYTJSA-N 315.337 -0.885 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1COC2(C1)CN(C(=O)CSCC#N)C2 1069004126 TWJUCNOYJZJJMM-WDEREUQCSA-N 322.390 -0.111 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1COC2(C1)CN(C(=O)Cn1ccnc1)C2 1069007308 DMVUVGOEDRHUEX-NEPJUHHUSA-N 317.349 -0.471 30 20 DBED CC1(C)CN(C(=O)CC(N)=O)C[C@H]1Nc1cncc(C#N)n1 1069547842 LADLFPHHXXPTBT-SNVBAGLBSA-N 302.338 -0.127 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(CC)(NC(=O)C(N)=O)CC1 1069630953 FDVDHZPCYMQLHE-NEPJUHHUSA-N 323.393 -0.050 30 20 DBED C=CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2cnon2)C1 1070058433 CLFFHBKTYDJHCJ-NEPJUHHUSA-N 303.326 -0.108 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CCCN(C(=O)CN(C)C(C)=O)C1 1070456718 FLWXKNQVOVGOSY-GXTWGEPZSA-N 323.393 -0.390 30 20 DBED C=CCN[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1c1cncn1C 1070645029 KLDXYCSAAQTRTO-VXGBXAGGSA-N 315.381 -0.068 30 20 DBED CC(C)C#CC(=O)N1CCC[C@@H](NC(=O)CCn2cnnn2)C1 1070704369 PUOFWABAWHLJCA-CYBMUJFWSA-N 318.381 -0.170 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)[C@]4(C)CCC(=O)N4)C[C@@]3(C1)O2 1070847837 KMDIFLWROYPLFY-UWWPHRKUSA-N 317.389 -0.410 30 20 DBED CNC(=O)C1(C(=O)N2CCC[C@@H](NC(=O)[C@@H](C)C#N)C2)CC1 1070972182 JGGNUMZBGNJZOK-WDEREUQCSA-N 306.366 -0.221 30 20 DBED C=CCOCC(=O)N[C@@H]1CCCN(C(=O)[C@]2(C)CNC(=O)C2)C1 1071003527 HTNYGSRORHJNFW-WBMJQRKESA-N 323.393 -0.178 30 20 DBED C=CCOCC(=O)N1C[C@@H](C)[C@@H](NC(=O)c2[nH]nnc2C)C1 1071805068 KHWKJSQFNMYABE-KOLCDFICSA-N 307.354 -0.108 30 20 DBED CC#CCN1CCC2(C1)CN(C(=O)CN1CC(=O)N(C)C1=O)C2 1073123483 YADFUGPGAVEQGH-UHFFFAOYSA-N 318.377 -0.562 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](NC(=O)COC)[C@H](C)C1 1073633221 VYUFODTYHSRNQQ-NEPJUHHUSA-N 309.366 -0.875 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)[C@@H]2CCCCC(=O)N2)C1 1073762564 GOXVCOOSCVJZIE-KBPBESRZSA-N 307.394 -0.115 30 20 DBED C#CCCCC(=O)N[C@@H]1CCN(C(=O)Cn2cnnn2)C[C@@H]1C 1073918559 KALVYKYGYYLYSJ-QWHCGFSZSA-N 318.381 -0.170 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)Cc3cncnc3)C[C@@H]21 1074225132 BOWUNBSUEFXKNQ-GJZGRUSLSA-N 300.362 -0.046 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)[C@@H](CC)N(C)C 1077149942 DVWNJAQYDPOLJG-QWHCGFSZSA-N 324.425 -0.523 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)c2cnc3c(c2)NC(=O)CO3)C1 1077315207 JWFQJEOUMBEQCH-VXGBXAGGSA-N 318.333 -0.627 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)c2ccc3nnc(O)n3c2)C1 1077826900 WJZHLGDNBFEILV-GHMZBOCLSA-N 303.322 -0.604 30 20 DBED C[C@H]1CCn2ncc(C(=O)N[C@@H]3CN(CC#N)C[C@H]3O)c2C1 1078090111 FGTZDIFNLOXWMT-ZKYQVNSYSA-N 303.366 -0.236 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cc[n+]([O-])cc2)C1 1081214999 MZGFGFPWHCQDPI-KGLIPLIRSA-N 319.361 -0.165 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)CNC(=O)CC)C[C@H]1O 1081332214 BXDBVGYMLYJURT-VXGBXAGGSA-N 311.382 -0.586 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2ccnnc2)C[C@@H]1O 1081347063 QGNZTEDSBQRMSZ-OLZOCXBDSA-N 320.349 -0.772 30 20 DBED C#CCOCCC(=O)N1C[C@H](O)[C@H](CNC(=O)/C=C/C2CC2)C1 1081382970 QQWKNSFVKSXWCE-MUHKLVGJSA-N 320.389 -0.072 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H]1CN(C(=O)CCC=C)C[C@@H]1O 1081420174 UZUHQRIOASCOAH-STQMWFEESA-N 321.377 -0.972 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@@H]1O 1081441666 KWESHMNIOJNETO-NEPJUHHUSA-N 323.393 -0.763 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)c2cncn2C)C[C@H]1O 1081444994 PNVKQGNFMGDWSI-TZMCWYRMSA-N 318.377 -0.227 30 20 DBED C=CCCOCC(=O)NC[C@H]1CN(C(=O)COCC)C[C@H]1O 1081566141 BOXSIYSEXUEJKF-QWHCGFSZSA-N 314.382 -0.449 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)Cc1nnn(C(C)(C)C)n1 1081725884 CUMFJFPZEWFFML-GHMZBOCLSA-N 321.385 -0.690 30 20 DBED C=CCCO[C@@H](C)C(=O)NC[C@@H]1CCCCN1C(=O)C(N)=O 1082264711 LTKQDELEUKQABM-RYUDHWBXSA-N 311.382 -0.050 30 20 DBED Cn1cncc1CN1C[C@H](O)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 1083414822 XEYIKSRKXBWSJI-KGLIPLIRSA-N 314.349 -0.405 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)c2cnc(N(C)C)cn2)C1 1083460289 ZOMCIMVLFCXCJP-OLZOCXBDSA-N 305.382 -0.106 30 20 DBED N#Cc1cccc(CN2C[C@H](O)[C@H](NC(=O)c3cnon3)C2)c1 1083877660 KJPZOXITNSGCPU-KGLIPLIRSA-N 313.317 -0.084 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCCS2(=O)=O)C1 1084076586 SIBGGOMZTLTSCY-WOPDTQHZSA-N 302.396 -0.699 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)Cc2nc(C3CC3)nn2C)C1 1084077507 YAFHDAZZZXGSRM-OLZOCXBDSA-N 319.409 -0.028 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCCN2C(=O)CCC)C1 1084084924 GGEKBCULPQIFKP-ILXRZTDVSA-N 321.421 -0.038 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCC(=O)N(C)C2)C1 1084094199 RGTYIRIQHIGJAK-MCIONIFRSA-N 309.410 -0.018 30 20 DBED CCOCCC(=O)N[C@@H]1CN(c2nc(C)cc(C#N)n2)C[C@H]1O 1090385326 DZBHYQLEYSCTAB-CHWSQXEVSA-N 319.365 -0.251 30 20 DBED CS[C@@H](C)C(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1O 1090385569 GRUQAKMRNCXJTO-JMJZKYOTSA-N 307.379 -0.235 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2n[nH]c3c2CCCC3)[C@H](O)C1 1090389433 WNJYGYVHNAMLQK-CHWSQXEVSA-N 303.366 -0.023 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)CC3(O)CCC3)C2)nc1 1090411530 WEBLSYDCUSINDO-CHWSQXEVSA-N 316.361 -0.076 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1O 1090445303 HKXOVTQVIKORSI-CYZMBNFOSA-N 317.349 -0.395 30 20 DBED N#CCN1CC[C@@H](NC(=O)Cc2ccccc2C(N)=O)[C@H](O)C1 1090483385 ROOYIJVHGCLITP-ZIAGYGMSSA-N 316.361 -0.597 30 20 DBED C[C@H](NC(N)=O)C(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1C 1090699510 LRLHYDFHVMLTMC-JFGNBEQYSA-N 316.365 -0.049 30 20 DBED N#Cc1ccc(N[C@H]2C[C@@H](CNC(=O)CNC(N)=O)C2)nc1 1091313578 QJJSGJJHDSBHPK-PHIMTYICSA-N 302.338 -0.072 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CN(c2ncccn2)C[C@@H]1n1ccnn1 1092097855 HRKSGROMUBROQP-TUAOUCFPSA-N 312.337 -0.226 30 20 DBED C#CCN1C[C@@H]2CN(C(=O)[C@H]3CCCS3(=O)=O)C[C@]2(C)C1 1092288452 UAFCIFIIDFUZMC-NFAWXSAZSA-N 310.419 -0.023 30 20 DBED N#Cc1ccc(N2C[C@@H]3C(NC(=O)CCc4nc[nH]n4)[C@H]3C2)nn1 1093240616 ZQBAPNXSEAUIDF-QWRGUYRKSA-N 324.348 -0.350 30 20 DBED N#Cc1ccc(N2C[C@H]3C(NC(=O)C4(C(N)=O)CC4)[C@@H]3C2)cn1 1093355818 IGDNRDOPEVVMML-VXGBXAGGSA-N 311.345 -0.230 30 20 DBED N#Cc1ccc(NCCNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)cn1 1094136311 FEHXMBPAQWVASB-NWDGAFQWSA-N 303.322 -0.486 30 20 DBED Cn1cc(C(N)=O)cc1C(=O)NCCNc1nccnc1C#N 1094250791 JVYMREZWULVPDE-UHFFFAOYSA-N 313.321 -0.372 30 20 DBED C#CCCN1CC(n2cc(CNC(=O)c3cnns3)nn2)C1 1094276928 XMSFYXZIBKPZEK-UHFFFAOYSA-N 317.378 -0.060 30 20 DBED N#Cc1cncc(NCCCNC(=O)CN2CCCC2=O)n1 1094315054 RUEFLGWIPXZKTA-UHFFFAOYSA-N 302.338 -0.111 30 20 DBED C#CCNC(=O)CC(=O)NCCCNc1cncc(C#N)n1 1094372724 WAUMLMUIYYRWEJ-UHFFFAOYSA-N 300.322 -0.594 30 20 DBED N#Cc1cccnc1NCCCNC(=O)[C@@H]1CCS(=O)(=O)N1 1094437037 GFRONEGBASFVJK-NSHDSACASA-N 323.378 -0.437 30 20 DBED CCC[C@@H](NC(N)=O)C(=O)NCCCN=c1cc[nH]c(C#N)n1 1094530825 OYICSRCYGCDTIB-SNVBAGLBSA-N 319.369 -0.475 30 20 DBED N#CCN1CC(N2C[C@@H](NC(=O)CC3=CCOCC3)CC2=O)C1 1094781904 CUIFFRBGPRWYHO-ZDUSSCGKSA-N 318.377 -0.352 30 20 DBED C=C(C)CCN1CC(N2C[C@@H](NC(=O)c3nc[nH]n3)CC2=O)C1 1094796797 DPJXAOJBMSONQS-NSHDSACASA-N 318.381 -0.214 30 20 DBED COCC(=O)N[C@@H](C)C(=O)NCCCNc1cnc(C#N)cn1 1094844139 FIIVOWFNDAQWFQ-JTQLQIEISA-N 320.353 -0.582 30 20 DBED CNC(=O)CC(=O)NC1CCN(c2cnc(C#N)cn2)CC1 1095406788 RVRWGTUTBUECON-UHFFFAOYSA-N 302.338 -0.431 30 20 DBED CN(CCCNC(=O)c1cnn(C)n1)c1ccnc(C#N)n1 1095587812 HYKGGJLLFVUMDZ-UHFFFAOYSA-N 300.326 -0.267 30 20 DBED CN(CCCNC(=O)[C@H]1C[C@H]1C(N)=O)c1ccnc(C#N)n1 1095739274 FQLJEEJKOIQROS-ZJUUUORDSA-N 302.338 -0.588 30 20 DBED CC(C)(C(N)=O)C(=O)N[C@@H]1CCCN(c2cncc(C#N)n2)C1 1096212154 SLCDJMFNDFDYHM-SNVBAGLBSA-N 316.365 -0.055 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CCN(c2ccc(C#N)nn2)C1 1096359362 BERPBBZBAKDNEQ-LBPRGKRZSA-N 312.333 -0.817 30 20 DBED N#Cc1cnc(N2CC[C@@H](NC(=O)CO[C@@H]3CCOC3)C2)cn1 1096438960 ACKBAFDDSSGVTD-DGCLKSJQSA-N 317.349 -0.151 30 20 DBED COC[C@@H](OC)C(=O)N[C@@H]1CCN(c2cnc(C#N)cn2)C1 1096482729 PKIRUMMGCWBRQU-ZYHUDNBSSA-N 305.338 -0.295 30 20 DBED C=CCCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C[C@@H]1NC(=O)NC1=O 1097244531 FVSGJYJLXZHXFF-WYUUTHIRSA-N 306.366 -0.118 30 20 DBED C[C@H](CNC(=O)[C@H]1CCS(=O)(=O)C1)N=c1cc[nH]cc1C#N 1098136322 FCPKPBWBCCRYRB-MNOVXSKESA-N 322.390 -0.274 30 20 DBED O=C(C#CC1CC1)N1CC[C@@H](n2cc(CNCCO)nn2)C1 1098673008 LMAKVLLXHHOIPS-CQSZACIVSA-N 303.366 -0.453 30 20 DBED C=C(C)CCN1CC[C@H](NC(=O)CS(C)(=O)=O)[C@@H](O)C1 1099718385 LVXFLXGPWSILNW-RYUDHWBXSA-N 304.412 -0.451 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CCN(CC(=O)NC2CC2)C[C@H]1O 1099821017 OCQMOKSYBPIGLQ-ZIAGYGMSSA-N 307.394 -0.524 30 20 DBED CC(C)N(C)C(=O)CN1CC[C@H](NC(=O)C#CC2CC2)[C@@H](O)C1 1099827117 UIJLBANTEOSFMH-GJZGRUSLSA-N 321.421 -0.182 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCN(CCCOC)C[C@@H]2O)nn1 1100026750 HMMJOEQFBZGEOB-JSGCOSHPSA-N 323.397 -0.334 30 20 DBED COCC#CCN1CC[C@H](NC(=O)CCc2cn[nH]c2)[C@@H](O)C1 1100032661 ZJARAECDSSQDEV-GJZGRUSLSA-N 320.393 -0.457 30 20 DBED CN(CCNC(=O)c1cnn(C)c1N)c1cncc(C#N)n1 1100071045 PKVLCKGSKUDBAB-UHFFFAOYSA-N 300.326 -0.470 30 20 DBED C=CCN1C[C@@H]2CN(C(=O)CN(C)S(C)(=O)=O)C[C@]2(C)C1 1101256039 AHDOHZPRPNWMAI-OCCSQVGLSA-N 315.439 -0.156 30 20 DBED Cc1cc(=NCCN(C)C(=O)[C@H]2COCCO2)c(C#N)c[nH]1 1101508776 ROFNVFRWTWHYFG-CQSZACIVSA-N 304.350 -0.031 30 20 DBED CCc1nc(C#N)cc(NCCN(C)C(=O)CCNC(N)=O)n1 1101611218 SRNUNEYBKAUROK-UHFFFAOYSA-N 319.369 -0.161 30 20 DBED Cc1cc(=NCCN(C)C(=O)C2(C(N)=O)CC2)c(C#N)c[nH]1 1101944019 YBXPNTRCBKMJPZ-UHFFFAOYSA-N 301.350 -0.181 30 20 DBED CCNC(=O)CC(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(C#N)n1 1102546878 VWYBBEKIVAFOSX-QWRGUYRKSA-N 314.349 -0.336 30 20 DBED C#CCN1C[C@@H](C)[C@H](CNC(=O)Cc2nc3ncccn3n2)C1 1102578581 JGSHNOZMKTWJOK-CHWSQXEVSA-N 312.377 -0.016 30 20 DBED C[C@@H](CC(N)=O)C(=O)N(C)[C@@H]1CCN(c2cnc(C#N)cn2)C1 1102752117 CHGMKTUXJXTINA-CMPLNLGQSA-N 316.365 -0.103 30 20 DBED C[C@@H](CNC(=O)[C@@H]1COCCO1)CNc1cncc(C#N)n1 1103879268 AJZJFYPKIQJGSQ-PWSUYJOCSA-N 305.338 -0.072 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)CO[C@@H]1CCOC1 1104098998 GMHJOXRQCHVUKA-NWDGAFQWSA-N 319.365 -0.260 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CN(c2nccn3nnnc23)CCO1 1104301479 GCDJDBMCOIMLDO-VHSXEESVSA-N 316.325 -1.000 30 20 DBED C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1CCNCC#N 1104673505 ZXWCZTSJPAZUNS-FVCCEPFGSA-N 308.382 -0.383 30 20 DBED Cn1cc(CC(=O)N2CC(n3cc(CNCC#N)nn3)C2)cn1 1105183260 JMAWMQFZXUTURO-UHFFFAOYSA-N 314.353 -0.749 30 20 DBED COC[C@@H](OC)C(=O)NC[C@H](N=c1cc[nH]c(C#N)n1)C(C)C 1105282386 FEONFJWLNVESDX-NWDGAFQWSA-N 321.381 -0.016 30 20 DBED C#CCNCc1cn(C2CN(C(=O)c3c(C)cnn3C)C2)nn1 1105304028 YHHRFNMXFHJEDO-UHFFFAOYSA-N 313.365 -0.260 30 20 DBED Cc1cc(C(=O)NC[C@H](O)CNc2nccnc2C#N)on1 1105746861 QBCCTELOKUTAAZ-SECBINFHSA-N 302.294 -0.153 30 20 DBED Cn1cnc(C(=O)NC[C@H](O)CNc2nccnc2C#N)c1 1105791620 CDPXETHZUBTRQE-SECBINFHSA-N 301.310 -0.715 30 20 DBED N#Cc1cncc(NC[C@H](O)CNC(=O)CCc2ncc[nH]2)n1 1105804280 NGXQMGMHSFQYDV-NSHDSACASA-N 315.337 -0.407 30 20 DBED Cc1c[nH]nc1C(=O)NC[C@H](O)CNc1cnc(C#N)cn1 1105809660 GQBUMBHQMJQOGI-SNVBAGLBSA-N 301.310 -0.417 30 20 DBED N#Cc1c(F)cccc1NC[C@@H](O)CNC(=O)Cn1cncn1 1105839092 MOHJDNNVOGZRLM-SNVBAGLBSA-N 318.312 -0.122 30 20 DBED N#Cc1nc(=NC[C@@H](O)CNC(=O)c2ccc(O)nc2)cc[nH]1 1105848444 PBJOQLJXRMTGDY-SNVBAGLBSA-N 314.305 -0.926 30 20 DBED CN(C)CC1(C(=O)NC[C@@H](O)CNc2cnc(C#N)cn2)CC1 1106100321 MXMSUEGXWJSXDZ-LBPRGKRZSA-N 318.381 -0.421 30 20 DBED CN1C[C@H](C(=O)NC[C@H](O)CNc2ccc(C#N)nc2)CC1=O 1106144137 OMHCQYFCNCEUKO-ZWNOBZJWSA-N 317.349 -0.679 30 20 DBED C[C@H](CCNc1ccc(C#N)nn1)NC(=O)[C@@H]1COC(=O)N1 1106313125 HUFDDDPGTAYLKP-SCZZXKLOSA-N 304.310 -0.237 30 20 DBED CCN(CCNc1cnc(C#N)cn1)C(=O)[C@H]1CCC(=O)N1 1106705824 JSQDMNJWDXDHRJ-LLVKDONJSA-N 302.338 -0.113 30 20 DBED C#CCNC[C@@H]1CN(C(=O)Cc2nc3ncccn3n2)C[C@H]1C 1106982699 OULKYMVOPJRRLK-CHWSQXEVSA-N 312.377 -0.016 30 20 DBED C#CCCN1CCO[C@@](C)(CNC(=O)[C@]2(C)CCNC2=O)C1 1108210582 BDNBQPBNOZAKFU-JKSUJKDBSA-N 307.394 -0.257 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)c1cc2n(n1)CCO2 1108754240 VROOQAXIZXNXSB-VIFPVBQESA-N 313.321 -0.411 30 20 DBED C[C@H](CN(C)c1nccnc1C#N)NC(=O)[C@@H]1CN(C)CCO1 1108906130 XJZTYRVUKZICGE-YPMHNXCESA-N 318.381 -0.380 30 20 DBED CCNC(=O)CC(=O)N[C@H](C)CN(C)c1nccnc1C#N 1108944373 BMRAQHXUXKKJCR-SNVBAGLBSA-N 304.354 -0.185 30 20 DBED C[C@H](CN(C)c1cncc(C#N)n1)NC(=O)[C@@H]1CCC(=O)N1C 1109179742 VHAFWXXAJDWBLK-PWSUYJOCSA-N 316.365 -0.090 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C[C@@H]1CCNC1=O 1109396376 BSCHZTLNVRRXOF-XGUBFFRZSA-N 319.405 -0.116 30 20 DBED COC(=O)NCC(=O)N[C@H]1[C@H]2C[C@H]1N(c1nccnc1C#N)C2 1109684969 YKEXNJORBUSNHD-XRNSZHNASA-N 316.321 -0.602 30 20 DBED N#Cc1nccnc1NC[C@H](NC(=O)[C@H]1CCC(=O)N1)C1CC1 1109793824 LUQGJNZYUJPBIS-PWSUYJOCSA-N 314.349 -0.066 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cc1nc[nH]n1 1109953447 KMRFHJYYIQXYRC-AGIUHOORSA-N 303.366 -0.282 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@]1(O)CCN(c2ncccn2)C1 1111063723 CLFLATMARCQVFY-LSDHHAIUSA-N 306.366 -0.139 30 20 DBED N#Cc1c[nH]ccc1=NCCN(CCO)C(=O)c1ccncn1 1111499927 GOLXCVSUHRDCKO-UHFFFAOYSA-N 312.333 -0.288 30 20 DBED N#Cc1cnc(NCCN(CCO)C(=O)c2ccnnc2)cn1 1111567512 KPCTWTRRNBDPHU-UHFFFAOYSA-N 313.321 -0.315 30 20 DBED CO[C@@H](C)C(=O)NC[C@H]1COCCN1c1cnc(C#N)cn1 1111656733 IQBUVNFZFIPVIB-JQWIXIFHSA-N 305.338 -0.295 30 20 DBED Cc1nc(N2CCOC[C@@H]2CNC(=O)CC(N)=O)ccc1C#N 1111679871 WKPKTECMPMBLAJ-LBPRGKRZSA-N 317.349 -0.542 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)CCOCC#C)[C@H]2C1 1114262850 KYNIJSQEVRFKPU-TTZDDIAXSA-N 317.389 -0.789 30 20 DBED C=CCOCCN1C[C@H]2[C@H](NC(=O)[C@@H]3CCC(=O)NC3)[C@H]2C1 1114502686 ZHKQZAJKJVYTDO-CXTNEJHOSA-N 307.394 -0.238 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)c3csc(C)n3)[C@@H]2C1 1114731095 OPNZIDSFUVISBT-GHMZBOCLSA-N 318.402 -0.139 30 20 DBED CN(C)CCCC(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1114743331 HBQQVYYUKAWDFS-JYAVWHMHSA-N 307.398 -0.986 30 20 DBED C=CCOCCN1C[C@H]2C(NC(=O)CCN3CCOCC3)[C@@H]2C1 1114980430 RAFNPEBTCYOTHD-HUUCEWRRSA-N 323.437 -0.042 30 20 DBED C=CCCOCC(=O)NC1[C@H]2CN(CCS(C)(=O)=O)C[C@H]12 1115324974 ZCEJHEDVYUFAGI-RYUDHWBXSA-N 316.423 -0.330 30 20 DBED CC(C)(C)C(=O)Cn1cc(C(=O)NCC(=O)NCC#N)nn1 1117320896 PHZPSYARLKRQOQ-UHFFFAOYSA-N 306.326 -0.737 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N[C@H](C)c2ccn(C)n2)nn1 1118115818 AIOZFGQQNJVMPO-SNVBAGLBSA-N 317.353 -0.309 30 20 DBED C#CCOCCNC(=O)C(=O)NCCc1ccc(OC)c(O)c1 1119227188 KIWJGCSVBDSOKW-UHFFFAOYSA-N 320.345 -0.175 30 20 DBED C=C(C)COCCn1nnnc1N1CCN(CCOC)C(=O)C1 1120101320 JTSOFPTVGZQGGR-UHFFFAOYSA-N 324.385 -0.439 30 20 DBED C[C@H](C#N)C(=O)NC1CC2(CC(NCC(=O)NCC#N)C2)C1 1120834909 QCPBEADCBJBALQ-VQZBUAOQSA-N 303.366 -0.197 30 20 DBED CC(=O)N[C@@H](C)C(=O)NC[C@H](CO)Nc1ncc(C#N)cc1F 1121177527 MJVKDZSPLMGIDA-GZMMTYOYSA-N 323.328 -0.494 30 20 DBED CSC[C@@H](C)C(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1 1121239862 FBLFOMABCBTCHJ-NXEZZACHSA-N 309.395 -0.342 30 20 DBED Cc1cc(=N[C@H](CO)CNC(=O)CCN(C)C)c(C#N)c[nH]1 1122542485 GVLOOCSJZTZBHL-ZDUSSCGKSA-N 305.382 -0.476 30 20 DBED CC(=O)N(C)CC(=O)N(C)C[C@H](O)CN=c1cc[nH]cc1C#N 1124111834 MNGZHJVMROBBOO-CYBMUJFWSA-N 319.365 -0.915 30 20 DBED CNC(=O)NC(=O)[C@H](C)NCCNC(=O)c1cc(C#N)c[nH]1 1125370416 NVPVIZJVSGGQQN-QMMMGPOBSA-N 306.326 -0.950 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)[C@@H](C)n1cccc1 1125755661 DJWQRLWNBPWGBR-GFCCVEGCSA-N 321.381 -0.233 30 20 DBED C=C[C@](C)(O)CC(=O)NCCN[C@@H](C)C(=O)Nc1ncccn1 1126366410 VAGNDVZUDFFLGH-NHYWBVRUSA-N 321.381 -0.164 30 20 DBED C=C(C)CN(CC)C(=O)[C@H](C)NCCNC(=O)Cn1ncnn1 1127449609 NOKKNKXIBOZVGG-LBPRGKRZSA-N 323.401 -0.808 30 20 DBED C#CCN1CCn2ncc(CNC(=O)[C@]3(C)CCC(=O)N3)c2C1 1128481937 WPZIUGVNXCDSJW-INIZCTEOSA-N 315.377 -0.383 30 20 DBED C#CCN1CCn2ncc(CNC(=O)[C@]3(C)CCNC3=O)c2C1 1128489339 MIRUZGKEJKUWKG-MRXNPFEDSA-N 315.377 -0.526 30 20 DBED C=CCO[C@@H](C)C(=O)NCc1cnn2c1CN(CC(N)=O)CC2 1128602391 GWZITNCYNFZSRF-NSHDSACASA-N 321.381 -0.609 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)CCc2cnc[nH]2)C1=O 1128967392 OQZKNFDCWLZPKA-CYBMUJFWSA-N 305.382 -0.165 30 20 DBED N#Cc1cccc(CNCCNC(=O)CN2CCOCC2=O)c1 1129547318 ZEFBDECNOYQBFE-UHFFFAOYSA-N 316.361 -0.377 30 20 DBED C=CCCC(=O)NCc1nc([C@H]2COCCN2CCO)n[nH]1 1130831508 IMDZAGXLBHBXRJ-LLVKDONJSA-N 309.370 -0.247 30 20 DBED CC#CCN1CCNC(=O)CCN(C(=O)[C@@H](C)COC)CC1 1131342130 MHWBHKGNVFQVAK-AWEZNQCLSA-N 309.410 -0.057 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC(=O)NCCN(CC=C)CC1 1131364311 LHMAKFZPVUQZEK-CQSZACIVSA-N 307.394 -0.139 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](C)O[C@]2(CCN(CC#N)C2)C1 1131652550 KEGBFAKUQQAXOI-CJNGLKHVSA-N 318.377 -0.659 30 20 DBED C=C(C)CN(CC)C(=O)[C@H](C)NCCNC(=O)[C@H]1CCNC1=O 1132377621 YCYVEYXJHLYWLL-STQMWFEESA-N 324.425 -0.359 30 20 DBED CC#CCNCCNC(=O)[C@@H]1CC[C@H](C(=O)N2CCCC2)O1 1133787457 KVSKXXDVCAPDEZ-UONOGXRCSA-N 307.394 -0.115 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)c1cccc(O)n1)NCC(=O)NCC#N 1134065472 OSUNEHOZJORTAK-WDEREUQCSA-N 319.365 -0.087 30 20 DBED C=CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)c1cnn(C)n1 1135682330 HDQHZPVLPRLAHU-QWRGUYRKSA-N 308.386 -0.396 30 20 DBED C#CCCN[C@H](C)C[C@@H](C)NC(=O)CCn1cc[nH]c(=O)c1=O 1135686881 NEADZCKTXISJKK-CHWSQXEVSA-N 320.393 -0.177 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC2(CCN(Cc3nnn(C)n3)C2)C1 1148873965 CXIYKILSCZSVOX-LBPRGKRZSA-N 320.397 -0.165 30 20 DBED C#CCNC(=O)CNCCNC(=O)CNC(=O)C1CCCCC1 1149871829 WQBJWLCAYQPSGE-UHFFFAOYSA-N 322.409 -0.862 30 20 DBED N#CCNC(=O)CN1CCCO[C@@H](CNC(=O)[C@H]2CC23CC3)C1 1150363195 KDQUXXAUWQCCPF-QWHCGFSZSA-N 320.393 -0.367 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)c1cc(=O)n(C)o1 1153006718 HYLVVKLRXNPPRX-LLVKDONJSA-N 322.365 -0.832 30 20 DBED C=CCOCCCC(=O)NCCCN[C@@H]1CCC(=O)NC1=O 1156160281 PYLNMYGRPBHCTO-GFCCVEGCSA-N 311.382 -0.130 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)Cc2n[nH]c(C)n2)C1=O 1157745197 GTMUUDFLCKOAHJ-LBPRGKRZSA-N 320.397 -0.462 30 20 DBED CO[C@@H](C(=O)NCCC1(CNCC(=O)NCC#N)CC1)C1CC1 1164342697 LEJOSJOQYKGKJN-CQSZACIVSA-N 322.409 -0.073 30 20 DBED C[C@H](CCCCNCC#N)NC(=O)CN(C)S(C)(=O)=O 1171083667 CLBGGLKBUMDURD-LLVKDONJSA-N 304.416 -0.334 30 20 DBED C=CCCCN1CCO[C@@H]2CCN(C(=O)Cn3cnnn3)C[C@H]21 1176901125 WCXWKVGNPJFXMH-ZIAGYGMSSA-N 320.397 -0.059 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)C2CCC(O)CC2)[C@H]1C 1178567068 MCSGDBHKCPEPPF-PPWQZUPISA-N 321.421 -0.134 30 20 DBED COCC#CCN[C@H]1CCN(C(=O)[C@@H]2CCC(=O)NC2)[C@H]1C 1179037368 UWYWRYKQLQTYRO-MJBXVCDLSA-N 307.394 -0.259 30 20 DBED C#CCNC(=O)CNC[C@]1(C)CN(C(=O)[C@H](O)C(C)C)C[C@H]1C 1181345933 MFSNXLNKDUGEGJ-FRFSOERESA-N 323.437 -0.173 30 20 DBED C[C@@H]1CN(C(=O)CC(C)(C)O)CC[C@@H]1CNCC(=O)NCC#N 1184273516 KVDCGEWTBCWEHY-CHWSQXEVSA-N 324.425 -0.139 30 20 DBED C#CCNC[C@H]1CCN(C(=O)CNS(=O)(=O)CC)C[C@H]1C 1184525256 VPRLDIMSOSSJAU-CHWSQXEVSA-N 315.439 -0.367 30 20 DBED C=CCC[C@H](C)N[C@@H]1CCN(C(=O)CNS(=O)(=O)NC)C1 1184619076 MTZHIXFVMQTZTC-NWDGAFQWSA-N 318.443 -0.415 30 20 DBED C#CCNC[C@H]1CCN(C(=O)CN2CCNC(=O)C2)C[C@H]1C 1184922996 IPKGUFKKICFCOF-ZIAGYGMSSA-N 306.410 -0.874 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 1192189798 HRRPHHJHQJCSOT-GDBMZVCRSA-N 322.453 -0.145 30 20 DBED C#CCCCC(=O)N[C@@H]1CN([C@H]2CCN(CC)C2=O)C[C@H]1O 1192510814 SSVNUBUYYLVYGM-HZSPNIEDSA-N 307.394 -0.428 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@H]1CCN(C(=O)c2nonc2C)C1 1194482897 BYNSQHNLZNGQSA-NEPJUHHUSA-N 319.365 -0.338 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@]23CCCC[C@@H]2C3)C1 1196003501 DXORUBWWIXNXDP-WBOJAVRRSA-N 319.405 -0.523 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1CN(CC#CC)C[C@H]1O 1196691559 GYSYIRJFQUMMJI-RBSFLKMASA-N 307.394 -0.358 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)Cc2ccc[nH]2)CC1 1198190515 JMMRWWGLKMJYEZ-UHFFFAOYSA-N 302.378 -0.159 30 20 DBED CC1CC(C(=O)N2CCCO[C@H](CNCC(=O)NCC#N)C2)C1 1200227422 IQPDNZGTRTVZMX-JXQTWKCFSA-N 322.409 -0.121 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)c2cc(=O)n(C)o2)CC1 1200248476 VBEODLYLDNNVRE-UHFFFAOYSA-N 322.365 -0.525 30 20 DBED C#CCNC[C@H]1CN(C(=O)c2ccnc(OC)n2)CCCO1 1200937560 KLKYTKSQNXDNCN-LBPRGKRZSA-N 304.350 -0.061 30 20 DBED Cc1cc(C(=O)N2CCC[C@H](NCC(=O)NCC#N)C2)n(C)n1 1207546446 SRQKMHICFCSYEL-LBPRGKRZSA-N 318.381 -0.438 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)[C@@H]2CCN(C)C2=O)[C@H](C)C1 1208368189 JCCPZQVVSDPGSP-FRRDWIJNSA-N 322.409 -0.797 30 20 DBED C#CCC1(C(=O)N[C@@H]2CN([C@H](C)C(N)=O)C[C@H]2OC)CCC1 1212393458 NXPJYNIZGCSHTF-JHJVBQTASA-N 307.394 -0.131 30 20 DBED C#CCC1(C(=O)N2C[C@@H](NCC(N)=O)[C@H](C)C2)CCOCC1 1214831624 MXWTWCWMIRLYLN-CHWSQXEVSA-N 307.394 -0.272 30 20 DBED C=CCOCC(=O)N1CCO[C@@H]2CN(CCn3cccn3)C[C@@H]21 1217523260 QBAAJDNUDAXQDJ-LSDHHAIUSA-N 320.393 -0.003 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2nccc(C)n2)C[C@@H]1O 1219613805 SEPWQOASWPEWCR-KGLIPLIRSA-N 318.377 -0.514 30 20 DBED C=C(Cl)C(C)(C)C(=O)N[C@@H]1CN(CCOCCO)C[C@@H]1O 1219702453 OFMLKVDEZIQGMQ-NEPJUHHUSA-N 320.817 -0.065 30 20 DBED C=CCCCC(=O)N[C@@H]1CN([C@@H](C)c2nnnn2C)C[C@@H]1O 1220246583 YOKJVXWRGFTZEF-TUAOUCFPSA-N 308.386 -0.211 30 20 DBED C#CCCN1CC[C@@H]2CN(C(=O)CCNC(=O)COC)[C@@H]2C1 1221594945 KMQNTORKOAHIRK-ZIAGYGMSSA-N 307.394 -0.305 30 20 DBED C=CCN1CC[C@@H]2CCN(C(=O)CNS(=O)(=O)NC)C[C@@H]21 1223200815 SCIYGXICUIZQNB-NEPJUHHUSA-N 316.427 -0.851 30 20 DBED CC#CCN1CCC(NC(=O)CCn2ncn(C)c2=O)CC1 1228449097 ZKCCAQFEBJZYGC-UHFFFAOYSA-N 305.382 -0.424 30 20 DBED C=CCOCCN1CCC(NC(=O)CN2C(=O)CCC2=O)CC1 1230203717 DBPZOFWOGONXJQ-UHFFFAOYSA-N 323.393 -0.081 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@@H]1CN(C)C(=O)Cc1cc[nH]n1 1231407956 REOQHUUNIRCMNE-GXTWGEPZSA-N 317.393 -0.377 30 20 DBED Cc1csc2ncc(C(=O)OCC(=O)NCC#N)c(=O)n12 1254205630 GLZSNUBKVFUKQI-UHFFFAOYSA-N 306.303 -0.139 30 20 DBED C[C@@H](O)C[C@@H]1COCCN1C(=O)C(=O)NCC1(CC#N)CC1 1256791924 MFCOEZBAKJGIKP-VXGBXAGGSA-N 309.366 -0.205 30 20 DBED C[C@H](C(=O)N(C)CCC#N)N1CCC2(CC1)NC(=O)NC2=O 1323084429 BYUFQUBFNPMICW-SNVBAGLBSA-N 307.354 -0.579 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCc2cccc(O)n2)C1=O 1323367286 IKLNDWVRPYOMND-UHFFFAOYSA-N 318.289 -0.620 30 20 DBED N#CCOc1cccc(NC(=O)C(=O)NC[C@]2(O)CCOC2)c1 1325157477 HYGRPZOJHXQRLH-OAHLLOKOSA-N 319.317 -0.205 30 20 DBED CN(C)CCOCCNC(=O)C(=O)N1CC[C@@](F)(C#N)C1 1325213540 KXFREJOUCLCABN-CYBMUJFWSA-N 300.334 -0.855 30 20 DBED C=CCn1cc(CNC(=O)C(=O)NC[C@@]2(OC)CCOC2)nn1 1326252917 MKUUNZOOHIOLEI-AWEZNQCLSA-N 323.353 -0.998 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 1327321100 GKQPKMXILCECOZ-UHFFFAOYSA-N 317.305 -0.607 30 20 DBED Cc1cc(NC(=O)C(=O)NC[C@]2(O)CCO[C@H]2C)ncc1C#N 1327619428 PJVBSOHHEHFMHD-ZUZCIYMTSA-N 318.333 -0.144 30 20 DBED C#CCCCCNC(=O)C(=O)NCCCCS(C)(=O)=O 1332043572 KFRQJEHVJNFHHU-UHFFFAOYSA-N 302.396 -0.153 30 20 DBED C=CCS(=O)(=O)CCn1nnnc1N1[C@H]2CC[C@H]1COC2 1334299871 RAXAYXFXSBEJHW-QWRGUYRKSA-N 313.383 -0.359 30 20 DBED C=CCn1c(CCOCC)nnc1N1CCO[C@@H](C(N)=O)C1 1338749589 QVAZWBDYNQQZPD-LLVKDONJSA-N 309.370 -0.266 30 20 DBED CCOC(=O)C[C@@H](C)CNC(=O)C(=O)N1CCO[C@H](C#N)C1 1343261706 FNLJTYJZLOWSHS-GHMZBOCLSA-N 311.338 -0.557 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N1CCC[C@H](OCCO)C1 1344924358 HENYCHDDMSANSG-ZDUSSCGKSA-N 314.382 -0.353 30 20 DBED C#CC1CCN(C(=O)C(=O)N[C@H](C)CN2CCOCC2)CC1 1345838794 DTRNEILXUFPWAA-CYBMUJFWSA-N 307.394 -0.305 30 20 DBED C#CC1(O)CCN(C(=O)NC[C@H]2CC[C@@H](C(=O)N(C)C)O2)CC1 1346391495 XWXGFLSLRQIRCX-OLZOCXBDSA-N 323.393 -0.208 30 20 DBED CC(=O)NC[C@@H]1CCn2ncc(C(=O)NCC#CCO)c2C1 1348455021 XHBHYUWLTZCYJN-GFCCVEGCSA-N 304.350 -0.693 30 20 DBED N#C[C@@H]1CCCN(C(=O)C(=O)N2CCN([C@@H]3CCOC3)CC2)C1 1353035711 LGZUFOGUDDKRDN-UONOGXRCSA-N 320.393 -0.318 30 20 DBED COC(=O)[C@@H](NC(=O)CCn1cc(C#N)c(O)nc1=O)C1CC1 1362347944 WYHUKGUDXPBMRH-NSHDSACASA-N 320.305 -0.722 30 20 DBED Cc1nccc(C(=O)NCCn2cc(C#N)c(O)nc2=O)n1 1363480933 BWOFCSYHKVKEMP-UHFFFAOYSA-N 300.278 -0.651 30 20 DBED Cn1c(=O)[nH]c(N2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)c(C#N)c1=O 1364173599 WCYZHLXUDCPUKP-OYNCUSHFSA-N 303.322 -0.965 30 20 DBED N#CCCN(CCC#N)C(=O)CN1CCn2c(CO)nnc2C1 1364360489 YUGSXKZULUSEHW-UHFFFAOYSA-N 317.353 -0.758 30 20 DBED COc1ccc(C(=O)N2CC[C@@H](NC(=O)[C@H](C)C#N)C2)nn1 1372042600 ITVLNZKDOJDRMT-NXEZZACHSA-N 303.322 -0.024 30 20 DBED C[C@H](C#N)C(=O)N[C@@H](CNC(=O)c1cnn(C)c1N)C1CC1 1372384402 UQVJXSUXHODPMT-KCJUWKMLSA-N 304.354 -0.213 30 20 DBED CCC(=O)NCC(=O)N[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 1386057129 YDNOCKWOJGUHBY-NSHDSACASA-N 317.349 -0.257 30 20 DBED CC[C@H](CNC(=O)Cc1nc[nH]n1)NC(=O)c1cc(C#N)c[nH]1 1390705957 ZFNPFLXZMPFOIP-SNVBAGLBSA-N 315.337 -0.128 30 20 DBED CNC(=O)NC(=O)CNC[C@H](C)N(C)C(=O)c1cc(C#N)c[nH]1 1392057076 DYNRCDNHHDDMOX-VIFPVBQESA-N 320.353 -0.608 30 20 DBED CCCN(C)CCC(=O)N[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1O 1406397682 USGWGPVGASEIGQ-UPJWGTAASA-N 310.398 -0.434 30 20 DBED C[C@@H](C#N)C(=O)N(C)C[C@@H]1CCN(C(=O)Cn2ncnn2)C1 1408994150 TWLOSKOPPWDRSO-QWRGUYRKSA-N 305.342 -0.860 30 20 DBED Cn1cc(C(=O)NC[C@H](O)CNC(=O)c2c[nH]c(C#N)c2)cn1 1410069879 SVXSAGBQZXIQPP-GFCCVEGCSA-N 316.321 -0.859 30 20 DBED Cn1c(=O)[nH]c(N[C@H](CO)CN2CCCCC2)c(C#N)c1=O 1412879907 BPLDXFSQDIDOLE-JTQLQIEISA-N 307.354 -0.796 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CCCN(C(=O)CS(C)(=O)=O)C1 1415363187 SJHGUTLSPOFMRQ-MNOVXSKESA-N 315.395 -0.360 30 20 DBED COC(=O)CNC(=O)CNc1ccc(C(=O)OC)nc1C#N 1421300581 UEPIPAZBPSGMQI-UHFFFAOYSA-N 306.278 -0.559 30 20 DBED CCCC[C@@H](CNC(=O)[C@@H](C)C#N)NC(=O)Cn1ncnn1 1424446205 NNMXVSJAYYSFMO-QWRGUYRKSA-N 307.358 -0.376 30 20 DBED COc1cc(CCC(=O)NC[C@H](O)CNC(=O)[C@@H](C)C#N)on1 1431535818 FFKAVOUSRVFCLH-UWVGGRQHSA-N 324.337 -0.631 30 20 DBED C[C@H](C(=O)N1CCC2(CC1)CNC(=O)N2C)n1cnc(C#N)n1 1434111207 QVEFDNHVEOFKOG-SNVBAGLBSA-N 317.353 -0.273 30 20 DBED CN(Cc1nnc2n1CCNC2=O)C(=O)C1(C#N)CCOCC1 1434361598 OFEIVJMOCIJDJE-UHFFFAOYSA-N 318.337 -0.700 30 20 DBED CCN(CCNC(=O)c1ccc2nnnn2c1)C(=O)[C@H](C)C#N 1449450418 QLLKYUDNWSEQML-SNVBAGLBSA-N 315.337 -0.138 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)CCCN1CCCC1 1452398064 SSKIICQMYFQEKP-OLZOCXBDSA-N 310.398 -0.385 30 20 DBED N#Cc1c(F)cc(C(=O)N2C[C@H](C(N)=O)[C@@H](C(N)=O)C2)cc1F 1454177258 XPDXOOXSBSXHMU-IUCAKERBSA-N 322.271 -0.505 30 20 DBED CN(CCS(N)(=O)=O)C(=O)Nc1ccn(CCC#N)n1 1465685923 PFRWRBWZWVGPEP-UHFFFAOYSA-N 300.344 -0.451 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNCC(=O)NCC1CCCCC1 1482716901 SZESWFDZLAYHSO-JSGCOSHPSA-N 324.425 -0.091 30 20 DBED C[C@H](CNC(=O)c1cc(C#N)c[nH]1)N(C)C(=O)Cn1ncnn1 1486835891 VJKDEULJBZCMRW-SECBINFHSA-N 316.325 -0.850 30 20 DBED Cc1ncsc1C(=O)N1CC[C@H](NCC(=O)NCC#N)C1 1491712557 IEWQRFFIVMJPKT-JTQLQIEISA-N 307.379 -0.105 30 20 DBED C=C(Cl)CNC[C@H](O)CNC(=O)C1CCS(=O)(=O)CC1 1497067791 VVTJUCLQPSJMJG-NSHDSACASA-N 324.830 -0.370 30 20 DBED C#CCN1CCC(OC(=O)CN2CCN(CC)C(=O)C2=O)CC1 1520077757 QBNTVGVEZLSINB-UHFFFAOYSA-N 321.377 -0.682 30 20 DBED CN1CCn2ncc(C(=O)N3CC(C)(C#N)C3)c2S1(=O)=O 1548698682 WGMIBTTVAQCZLV-UHFFFAOYSA-N 309.351 -0.497 30 20 DBED C[C@@H]1CN(c2cnc(C#N)c(-c3nn[nH]n3)n2)C[C@@H](C)S1=O 1576362517 BVLIMTCRVBYDHJ-HTQZYQBOSA-N 318.366 -0.126 30 20 DBED N#Cc1c(-c2nn[nH]n2)nc(N)n1Cc1noc2c1COCC2 1581860453 AKSJXLMOXVDEAE-UHFFFAOYSA-N 313.281 -0.374 30 20 DBED C#CCN1CCC[C@H](NC(=O)N2CCN(C)C[C@@H](C(=O)O)C2)C1 1588475890 ITNIBLKQFIQKDG-KGLIPLIRSA-N 322.409 -0.258 30 20 DBED C[C@@](C#N)(CC(=O)O)C(=O)N1CCO[C@H](CS(C)(=O)=O)C1 1588538950 RMJGLIRWGCFFPT-CABZTGNLSA-N 318.351 -0.737 30 20 DBED CC(C)C#CC(=O)NCCN=c1cc[nH]c(-c2nn[nH]n2)n1 1589389541 HCNBEPYIHXXRNB-UHFFFAOYSA-N 300.326 -0.734 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)Nc2cncc(C(=O)O)c2)CCO1 1594606158 RDADLXJVBCMSBF-JTQLQIEISA-N 304.262 -0.531 30 20 DBED C#CC[C@H](NC(=O)[C@H](C)S(=O)(=O)C1CCOCC1)C(=O)O 1602685349 RUXQTJNTPITEAW-ONGXEEELSA-N 317.363 -0.439 30 20 DBED C#CCN1CCN(C(=O)CN2CC(F)(F)C[C@H]2C(=O)O)CC1 1602720019 HXCUWAILCOLNOS-NSHDSACASA-N 315.320 -0.442 30 20 DBED COC[C@@H](O)CN1C[C@@H]2CC[C@H](C1)N2C(=O)CSCC#N 1661239922 QYQJLFSNOLERLR-XQQFMLRXSA-N 313.423 -0.074 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@@H](NC(=O)C(=O)C(C)(C)C)C1 1731372217 XMXPKXRNPSPTFE-NWDGAFQWSA-N 307.394 -0.070 30 20 DBED C=CCNC(=O)CN[C@H]1C[C@@H](NC(=O)CCn2cccn2)C1 1752713115 MZJHZBCGZHEHEY-BETUJISGSA-N 305.382 -0.188 30 20 DBED C[C@@H](CNC(=O)C#CC1CC1)NCC(=O)N1CCO[C@H](C)C1 1752869723 NIGODFLQTFSANE-QWHCGFSZSA-N 307.394 -0.259 30 20 DBED C=CCNC(=O)CN[C@H](C)CNC(=O)Cc1cnn(C)c1C 1752880842 ZMRIXRQSIUYJQR-LLVKDONJSA-N 307.398 -0.332 30 20 DBED C=CCNC(=O)NC(=O)CNC[C@@H]1CCN(C(=O)C(F)F)C1 1752927838 SZUFWQPFHOAPJC-VIFPVBQESA-N 318.324 -0.299 30 20 DBED COCCS(=O)(=O)CC(=O)NC[C@H]1CCCN1CC#N 1753102943 FLNWPAQGVAKYJM-LLVKDONJSA-N 303.384 -0.848 30 20 DBED C=CCCN1CC[C@H](CNC(=O)CNS(=O)(=O)N(C)C)C1 1753135096 JKAXCVMLVVFYOZ-GFCCVEGCSA-N 318.443 -0.603 30 20 DBED C#CCNC(=O)CNCCN(C)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 1753199211 NFRBCTXWZYHKCT-VXGBXAGGSA-N 303.366 -0.689 30 20 DBED CC#CCN1CCN(CCN(C)C(=O)[C@@H]2CCNC2=O)CC1 1753341630 AAPKYFYRHCTXAW-CQSZACIVSA-N 306.410 -0.778 30 20 DBED CCOCCOCC(=O)N1C[C@@H]2C[C@H]1CN2CC#CCOC 1753427368 HLBDGOZLMGCZOP-GJZGRUSLSA-N 310.394 -0.026 30 20 DBED C#CCNC(=O)CN[C@@H](CC)CNC(=O)Cc1cnn(C)c1 1753465985 CMPGCUUHOVOWFG-ZDUSSCGKSA-N 305.382 -0.804 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)Cn2cccn2)[C@@H](C)C1 1754590256 LVTSRJLJVVHTGO-KBPBESRZSA-N 317.393 -0.398 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)Cn2cccn2)[C@H](C)C1 1754590259 LVTSRJLJVVHTGO-ZIAGYGMSSA-N 317.393 -0.398 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@]1(O)CCN(Cc2nc(C)no2)C1 1754748782 MOAAZFJGPIRYED-GJZGRUSLSA-N 324.381 -0.242 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@@](O)(CNC(=O)CC2(C)CC2)C1 1754756131 HREQMPNZKPPZAU-CXAGYDPISA-N 321.421 -0.133 30 20 DBED C#CCCN1CC[C@@](O)(CNC(=O)C(=O)Nc2cc(C)on2)C1 1754762606 TYJFMSCMTZAMQP-OAHLLOKOSA-N 320.349 -0.502 30 20 DBED CNC(=O)[C@H](C)N1CCC[C@@](CO)(NC(=O)C#CC2CC2)C1 1754856048 CBRSNCHVRJKWDS-BLLLJJGKSA-N 307.394 -0.523 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)C#N 1754864582 XRYGYQLCGDGJPJ-MELADBBJSA-N 302.378 -0.039 30 20 DBED C=CCN[C@@]1(CO)CCCN(C(=O)[C@H]2COCCN2CC)C1 1755085670 LKGNVSVKWJSGQI-ZBFHGGJFSA-N 311.426 -0.164 30 20 DBED CO[C@H](C(=O)NCC1=CCN(CC(=O)NCC#N)CC1)C1CC1 1755884838 HNKJOWMYGBZXAH-HNNXBMFYSA-N 320.393 -0.201 30 20 DBED C#CCO[C@H](C)C(=O)NC1(CNC(=O)C(N)=O)CCCCC1 1756104173 ZFVZQKXLHHEDBY-LLVKDONJSA-N 309.366 -0.555 30 20 DBED C#CCOCCC(=O)N[C@H](C)C1CN(C(=O)[C@H]2CCNC2=O)C1 1756142034 NSIIBKFSXUHKMX-YPMHNXCESA-N 321.377 -0.875 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H]1C[C@H](NC(=O)[C@@H]2CCN(C)C2)C1 1756252249 WENQKTRJRBCJOG-KBUPBQIOSA-N 321.421 -0.013 30 20 DBED CC(C)C#CC(=O)N1CCC2(C1)CN(C(=O)[C@H]1CNC(=O)N1)C2 1756835273 ANHYNBJPZOXWCE-GFCCVEGCSA-N 318.377 -0.612 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)CCN(C)C(C)=O)CCO2 1783046275 FMHUNJKIFKQYGI-INIZCTEOSA-N 321.377 -0.682 30 20 DBED C=CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CCC(=O)N1)CCO2 1783914190 LUEOOIXQTNBRNF-LRDDRELGSA-N 321.377 -0.329 30 20 DBED CC(C)OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC#N 1795077409 JMUNTLRROHLUTQ-JJLQDPRZSA-N 309.366 -0.085 30 20 DBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCOC1)CCO2 1840540039 PEXQIHZKXCXPTP-BBRMVZONSA-N 322.361 -0.888 30 20 DBED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)c2cocn2)C1 1842546769 TZKLUDRVTYCISP-UHFFFAOYSA-N 303.274 -0.420 30 20 DBED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)C2CN(C)C2)C1 1846714300 LNJQUONXBPKAAT-CYBMUJFWSA-N 319.405 -0.210 30 20 DBED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)[C@@H]2CCCOC2)C1 1847036282 NFILCDWFDXHLSI-GFCCVEGCSA-N 320.345 -0.296 30 20 DBED CCN1CCN(C(=O)C(=O)Nc2ccn(CCC#N)n2)CC1 123837513 PEECLGKVLRANBF-UHFFFAOYSA-N 304.354 -0.101 30 20 DBED N#Cc1c[nH]c(C(=O)N2CCN(CC(=O)NC3CC3)CC2)c1 175129792 DTWRBZGGRDDBEG-UHFFFAOYSA-N 301.350 -0.077 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C(=O)OC)C2CC2)C1=O 267858898 XVJOAZGWBTZLRF-SNVBAGLBSA-N 323.305 -0.969 30 20 DBED CN1CCC[C@H]2CN(c3c(C#N)c(=O)n(C)c(=O)n3C)CC[C@@H]21 268810743 HEYGRTORPMHXRW-AAEUAGOBSA-N 317.393 -0.124 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N[C@H]1CCN(C(C)C)C1=O 272889112 XMICVALBVUSIII-NSHDSACASA-N 317.411 -0.104 30 20 DBED Cc1cc(C(=O)NCCCC#N)nc2c1c(=O)n(C)c(=O)n2C 273066549 UOYVUGYGIHEULD-UHFFFAOYSA-N 315.333 -0.026 30 20 DBED N#CC1(CS(=O)(=O)N2CC[C@H](C(=O)O)[C@H](C(=O)O)C2)CC1 275168737 VCQDVIROFUZCQO-DTWKUNHWSA-N 316.335 -0.273 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@H](OC)C2CC2)CC1 280979583 SDQVJWQWOFDUQL-OAHLLOKOSA-N 307.394 -0.305 30 20 DBED C=CCN(C)C(=O)C(=O)N1CCN(CC(=O)N[C@H](C)CC)CC1 298211225 YMTNKMOZVMGMHO-CYBMUJFWSA-N 324.425 -0.310 30 20 DBED CC(C)(C#N)C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 298865063 RDQGSDWGMCQDFR-UHFFFAOYSA-N 306.366 -0.171 30 20 DBED C#CCN(CC)S(=O)(=O)N1CCN(C(=O)OCC)CC1 299162475 RSJUNEXGPLJERL-UHFFFAOYSA-N 303.384 -0.040 30 20 DBED CO[C@@H]1C[C@@H](c2nncn2C)N(/C(O)=N/[C@@H]2CC(=O)N(C)C2)C1 329059228 NARUNXXYAFZNTF-MXWKQRLJSA-N 322.369 -0.278 30 20 DBED C[C@@H](C/N=C(/O)Cn1ncn(C)c1=O)CN1CCN(C)CC1 329100910 MTLIMEVXOLORHH-LBPRGKRZSA-N 310.402 -0.578 30 20 DBED CC(C)N1CC[C@@H](/N=C(/O)N[C@@H]2CS(=O)(=O)C[C@@H]2C)C1=O 329615024 PKBBYTMCDQWPMP-HBNTYKKESA-N 317.411 -0.068 30 20 DBED CN1CCN(C)[C@H](C/N=C(/O)N2C[C@@H]3OCCN(C)[C@H]3C2)C1 329967329 WCBGJDFYSASACA-RDBSUJKOSA-N 311.430 -0.839 30 20 DBED CN(C[C@H]1CCOC1)/C(O)=N/CCN1CCCS1(=O)=O 330168820 BCKSNRSPGJGCKN-LLVKDONJSA-N 305.400 -0.096 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@H]2[C@H]4O)CCO1 337223225 CZQYVIWOVPGNKX-ZJJIEKDWSA-N 313.379 -0.843 30 20 DBED COCCN1CC[C@H](NS(=O)(=O)N(C)[C@H](C)CC#N)C1 337789087 ZUFHAMQKOYSCMN-NEPJUHHUSA-N 304.416 -0.225 30 20 DBED C=CC[C@H](CO)CNC(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 341826981 TZCMXIQZKIZLNZ-RYUDHWBXSA-N 319.427 -0.106 30 20 DBED C[C@H](C#N)C(=O)Nc1cnn(CC(=O)N2CCN(C)CC2)c1 347130240 IFMNAWZNWLHFMV-LLVKDONJSA-N 304.354 -0.245 30 20 DBED C=CCC[C@@H](O)CN1CCN(C(=O)CN2C(=O)CCC2=O)CC1 351688620 YKSMCSZPSSWLHL-CYBMUJFWSA-N 323.393 -0.393 30 20 DBED C[C@@H]1CN(C(=O)C(=O)NCCOc2ccc(C#N)cc2)CCN1 419463281 LGAPBVULFSDSGW-GFCCVEGCSA-N 316.361 -0.126 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2cc(C=O)c[nH]2)CC1 491629787 MDHDYBOTFNQFCO-UHFFFAOYSA-N 302.334 -0.666 30 20 DBED N#C[C@H]1CN(S(=O)(=O)N[C@@H](CO)CC2CCCC2)CCO1 572304851 AIGSRPAUPRHLGM-OLZOCXBDSA-N 317.411 -0.014 30 20 DBED CNC(=O)N[C@@H]1CCN(C[C@H]2CNc3c(C#N)cnn3C2)C1 581429781 BBRAJYSHGHQTRW-ZYHUDNBSSA-N 303.370 -0.200 30 20 DBED C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CC[C@@](O)(CC#N)C1 592152443 XUVPIEFYYSQJSI-XUJVJEKNSA-N 308.382 -0.551 30 20 DBED C=CCCn1cc(C(=O)N2CCCNC[C@@H]2C(=O)OC)nn1 592549761 CFKUFOUKJQWFHY-GFCCVEGCSA-N 307.354 -0.169 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CCO1 609278120 QJEXKLNUFVRVAV-SECBINFHSA-N 323.330 -0.069 30 20 DBED CN(CCCc1[nH]nc(N)c1C#N)CC(=O)N=c1cco[nH]1 611172350 BAFMKUNVESPEPY-UHFFFAOYSA-N 303.326 -0.223 30 20 DBED CC#CC[C@H](CO)NC(=O)NCCCN(C)S(C)(=O)=O 645176490 VLNZBNLICUTDTJ-LLVKDONJSA-N 305.400 -0.659 30 20 DBED Cn1cc(S(=O)(=O)NCCOC(=O)C(C)(C)C#N)cn1 744790493 KPFIUJDCQBPKRZ-UHFFFAOYSA-N 300.340 -0.209 30 20 DBED C=CCNC(=O)COC(=O)c1ccc(S(N)(=O)=O)s1 745260244 VVEADEDNAFIBEW-UHFFFAOYSA-N 304.349 -0.146 30 20 DBED Cn1c(N2CCC(c3nc[nH]n3)CC2)c(C#N)c(=O)n(C)c1=O 751237116 SFYRJPIZKWZLIO-UHFFFAOYSA-N 315.337 -0.542 30 20 DBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccccn2)CC1 758305921 DTXIWYYQFCYOGB-UHFFFAOYSA-N 322.390 -0.863 30 20 DBED C=CCS(=O)(=O)NC(=O)c1cn(CC2(C)COC2)nn1 760252419 WKFJYQPPCIFSHP-UHFFFAOYSA-N 300.340 -0.440 30 20 DBED C#CCOc1ccccc1NC(=O)C(=O)N1CCCNC(=O)C1 773294873 DAINKQAYLDNPKV-UHFFFAOYSA-N 315.329 -0.014 30 20 DBED C#C[C@H](NC(=O)C(=O)NCCCn1ccnc1C)[C@H]1CCCO1 787657615 YATHNOAARSGZMW-UONOGXRCSA-N 318.377 -0.005 30 20 DBED C#C[C@H](NC(=O)NC[C@H](O)COCCOCC)[C@@H]1CCCO1 790503198 SSPKQONJPONQQQ-IHRRRGAJSA-N 314.382 -0.120 30 20 DBED C#Cc1cncc(C(=O)NCCN2CCN(C(C)=O)CC2)c1 798279575 CEBNFWIITGUHCV-UHFFFAOYSA-N 300.362 -0.043 30 20 DBED C#CCSCCNC(=O)NC1CC(NS(C)(=O)=O)C1 801023070 FBSRCPHLWRSOHK-UHFFFAOYSA-N 305.425 -0.268 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCC[C@H](C(=O)O)C1)[C@H]1CCCO1 817112023 PUDGHEURVKOSJA-SDDRHHMPSA-N 308.334 -0.393 30 20 DBED C#Cc1cccc(CNC(=O)C(=O)N2CCN(CC)C(=O)C2)c1 817845441 FRUSQBHSOTYAIJ-UHFFFAOYSA-N 313.357 -0.025 30 20 DBED C#CC1CCN(C(=O)N[C@H]2CS(=O)(=O)C[C@H]2OC)CC1 821140798 BTTYRMRTYJGEKW-NWDGAFQWSA-N 300.380 -0.147 30 20 DBED C#CCC[C@H](O)CNC(=O)[C@H](CO)NC(=O)c1ccc(F)cc1 846065069 PJHHKENISDCBSV-KBPBESRZSA-N 322.336 -0.193 30 20 DBED N#C[C@H]1CN(S(=O)(=O)NCC2SCCS2)CCO1 851835505 XUKCQQTYRVWREK-QMMMGPOBSA-N 309.438 -0.149 30 20 DBED Cn1ccnc(NN=Cc2cn(C[C@H]3CCCO3)nn2)c1=O 872355080 ODOQXLZXYXCDRL-LLVKDONJSA-N 303.326 -0.003 30 20 DBED C#CCNS(=O)(=O)N1CCN(c2nc(C)ccc2C#N)CC1 872633800 NIKVPAXBNRDEHC-UHFFFAOYSA-N 319.390 -0.149 30 20 DBED C#CCN1CCC[C@@H](NC(=O)NC[C@@H]2CCS(=O)(=O)C2)C1 884048404 JWLYFKJAFBLZAQ-QWHCGFSZSA-N 313.423 -0.182 30 20 DBED COCC(=O)N1CCN(S(=O)(=O)CC(C)(C)C#N)CC1 913933966 XHZPTUADJLRURO-UHFFFAOYSA-N 303.384 -0.343 30 20 DBED CN(CC(=O)NCCNc1ccc(C#N)cn1)S(C)(=O)=O 915194492 TWKNMCMPHMGRCA-UHFFFAOYSA-N 311.367 -0.627 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)c2nccnc2C(N)=O)C1 937929327 BFWQQGQQGJFSSA-IUCAKERBSA-N 316.321 -0.934 30 20 DBED COc1cc(C(=O)N[C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)ncn1 940617209 UQFXGGQNDACYFF-VHSXEESVSA-N 303.322 -0.024 30 20 DBED O=C(N[C@@H]1CCN(C(=O)C#CC2CC2)C1)c1ccn2nnnc2c1 941986497 PVCZUAAQNWXXGH-CYBMUJFWSA-N 324.344 -0.132 30 20 DBED CN(C(=O)[C@@H]1CCNC1=O)C1CN(C(=O)c2ccc(C#N)[nH]2)C1 954960693 HKSDZOIKZQQKNN-LLVKDONJSA-N 315.333 -0.695 30 20 DBED N#Cc1cc(C(=O)NC[C@H]2CN(Cc3cnon3)C[C@H]2O)c[nH]1 957980580 WOHDVVNSQAUBNO-GXFFZTMASA-N 316.321 -0.508 30 20 DBED C=CCN1C[C@H](O)[C@H](CNC(=O)c2cnc3c(c2)nnn3C)C1 958268711 XDNUEBBEKGARPZ-YPMHNXCESA-N 316.365 -0.428 30 20 DBED C#CCCN1C[C@@H](O)[C@@H](CNC(=O)c2ccoc2CC(N)=O)C1 958348979 CHYKARDYDVZMOE-WCQYABFASA-N 319.361 -0.647 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cnnn2C)C1 958837013 BJPFXYJTMNNYQW-RYUDHWBXSA-N 321.381 -0.329 30 20 DBED Cc1ncc(C(=O)N2C[C@H]3[C@@H](C2)OCCN3C(=O)[C@@H](C)C#N)[nH]1 960885374 ZFPBMLKDYZZPJE-TVYUQYBPSA-N 317.349 -0.070 30 20 DBED N#CCN1C[C@@H]2C(NC(=O)c3ccc(-n4cnnn4)cn3)[C@H]2C1 961353680 BXBHMIRQKLYUHB-QWRGUYRKSA-N 310.321 -0.759 30 20 DBED N#CCN1C[C@H]2C(NC(=O)c3ccccc3-n3cnnn3)[C@@H]2C1 962505336 FEJIZPGOUMMQLO-VXGBXAGGSA-N 309.333 -0.154 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H]2CC[C@H](NC(=O)C(N)=O)CC2)c1 963995375 LWKGSILSNDFROP-HOMQSWHASA-N 317.349 -0.224 30 20 DBED C[C@H](C#N)C(=O)N1CC2(C1)CN(C(=O)[C@H]1CCCN1C)CCO2 965329706 BWJJVADQMLXSGM-CHWSQXEVSA-N 320.393 -0.320 30 20 DBED Cc1nc[nH]c1C(=O)N1CCOC2(C1)CN(C(=O)[C@@H](C)C#N)C2 965417915 FCWQKNZTEQIBOR-JTQLQIEISA-N 317.349 -0.069 30 20 DBED C[C@H](C#N)C(=O)N1CC(N2CCN(C(=O)c3cocn3)CC2)C1 967191550 NYMQEAPCKVLFEE-LLVKDONJSA-N 317.349 -0.197 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)CS(C)(=O)=O 968622062 JOCVIADCCDUWLX-MXWKQRLJSA-N 313.379 -0.608 30 20 DBED C#CCN1CC[C@H](C)[C@H](NC(=O)CN2C(=O)CN(C)C2=O)C1 968626620 BRUGALCLDSZCPQ-NWDGAFQWSA-N 306.366 -0.660 30 20 DBED C=C(Cl)CN[C@@H]1CCN(C(=O)CN2CCC(=O)NC2=O)C1 970425234 DZYOXQABRQTLIS-SNVBAGLBSA-N 314.773 -0.129 30 20 DBED C#CCCN1CCO[C@]2(CCN(C(=O)CN3CCOCC3)C2)C1 972346522 NISCIHNDBOHDGG-QGZVFWFLSA-N 321.421 -0.355 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2CCCN(C(=O)C(N)=O)C2)nc1 975432531 YGEBZJKLDBBWOX-GFCCVEGCSA-N 314.345 -0.483 30 20 DBED CC#CCN1C[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)C(C)(C)C1 977568941 TXVFSXQJVOLKEK-GFCCVEGCSA-N 320.393 -0.270 30 20 DBED C[C@H](NCc1nncn1C)[C@@H]1CN(C(=O)C#CC2CC2)CCO1 979332749 LPSBKMAOCVRJFN-JSGCOSHPSA-N 317.393 -0.066 30 20 DBED C[C@@H]1C[C@@H](CNCc2nnn(C)n2)CN1C(=O)C#CC1CC1 980575655 RHFSUAXFBKOZCP-YPMHNXCESA-N 302.382 -0.050 30 20 DBED C#CCN1C[C@@]2(C)CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@@]2(C)C1 982554392 WVJVRXXLSVUJDK-UWWPHRKUSA-N 319.405 -0.177 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2CCC[C@@H](NC(=O)C(N)=O)C2)[nH]1 983574763 AMQJKPYVOIJFFU-DTWKUNHWSA-N 303.322 -0.471 30 20 DBED C[C@@H]1[C@@H](NC(=O)Cn2cnnc2O)CCN1C(=O)C#CC1CC1 987651889 DOHYZSJKCSQFCD-PWSUYJOCSA-N 317.349 -0.497 30 20 DBED CN(C[C@H]1CCN(C(=O)C(N)=O)C1)C(=O)c1cc(C#N)c[nH]1 988286169 NSIWNEHPYVCSDV-SECBINFHSA-N 303.322 -0.708 30 20 DBED CC#CCN1CCCN(C(=O)CC[C@@H]2NC(=O)NC2=O)CC1 989625398 HOOZUEFHHQFSRF-LBPRGKRZSA-N 306.366 -0.468 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCN(C(=O)C(C)C)C[C@@H]2O)nn1 991485500 HWKORBZPLUGOCS-YPMHNXCESA-N 321.381 -0.188 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(n2cc(CNC(C)=O)nn2)C1 994743764 PQOMJNVRMAQSJD-KGLIPLIRSA-N 319.365 -0.111 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN(C(=O)C2CCOCC2)C1 994752140 PRACQHHPLFLIQB-HNNXBMFYSA-N 319.405 -0.162 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2OCCO[C@H]2C)C1 994787738 LECCOWVTCLIDIN-GHYVTOPFSA-N 324.377 -0.292 30 20 DBED C#Cc1ccccc1CC(=O)NC1CN(C(=O)Cc2nc[nH]n2)C1 997245393 GAEGRTVYHGZKHM-UHFFFAOYSA-N 323.356 -0.102 30 20 DBED C[C@H]1C[C@H](NC(=O)CN2CCOCC2)CN1C(=O)C#CC1CC1 1012580704 GNNJJZULIMMVRZ-ZFWWWQNUSA-N 319.405 -0.162 30 20 DBED CCn1ncc(C(=O)NC2[C@@H]3CN(C(=O)[C@@H](C)C#N)C[C@@H]23)n1 1013053819 IHFUPEBVJQUZDT-IVZWLZJFSA-N 302.338 -0.356 30 20 DBED CN1CC[C@@H](N[C@H]2C[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)C1=O 1020080202 OGEDKMMKUSACON-NQBHXWOUSA-N 301.350 -0.033 30 20 DBED N#Cc1c[nH]c(C(=O)N2C[C@@H](O)[C@H](NC(=O)CC3CC3)C2)c1 1022882899 IPDKXUYXFDLGNC-CHWSQXEVSA-N 302.334 -0.012 30 20 DBED COc1ccc(CNC[C@H]2CCN(C(=O)C(N)=O)C2)cc1C#N 1027032107 BUWHNRSTACPWQJ-GFCCVEGCSA-N 316.361 -0.010 30 20 DBED C=CCN1CC[C@H](NC[C@H]2CCN(C(=O)c3nc[nH]n3)C2)C1=O 1027128513 XAVINFCULJFRQI-NEPJUHHUSA-N 318.381 -0.357 30 20 DBED C#CCN(C)[C@H]1CCCN(C(=O)C2CC3(C2)NC(=O)NC3=O)C1 1027612551 KRYZBNNCCXZKQB-BGMSHATGSA-N 318.377 -0.469 30 20 DBED C#CCN1CC[C@@H](CNC(=O)[C@@H]2CCc3nnnn3CC2)C1 1028816810 LMVIARBETSPHTB-QWHCGFSZSA-N 302.382 -0.303 30 20 DBED N#Cc1cc(C(=O)NC2CN([C@@H]3CCC(=O)NC3=O)C2)c[nH]1 1030234811 HUUWYZOFPIBITD-LLVKDONJSA-N 301.306 -0.894 30 20 DBED C=CCCn1cc(C(=O)NC2CN(CCn3cncn3)C2)nn1 1031080095 VTGUFQJPLSRLSX-UHFFFAOYSA-N 316.369 -0.440 30 20 DBED C#CCN1CC[C@H](N(C)C(=O)c2ccc(=O)n(CCOC)n2)C1 1033247874 VKRCAFRPBHHFMU-ZDUSSCGKSA-N 318.377 -0.331 30 20 DBED C=CCN[C@H]1CC[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)CC1 1034752363 ROKCBDCVNBCDPX-HAQNSBGRSA-N 320.393 -0.099 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2[C@H]3C[C@H]2N(CC(=O)NC2CC2)C3)[nH]1 1037365386 NNZAWUXIWSNMTL-RJIBLYRGSA-N 313.361 -0.033 30 20 DBED CN1CC[C@@H](N2CC[C@@H]2CNC(=O)c2ccc(C#N)[nH]2)C1=O 1038173567 OQVJKSHDKLKPFB-DGCLKSJQSA-N 301.350 -0.079 30 20 DBED CC(C)C#CC(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2CCOC2)C1 1039664120 KJUCVIREPWTTBN-CZUORRHYSA-N 308.378 -0.238 30 20 DBED C=CCCCC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2CCC(=O)N2)C1 1040440449 PEQCLFBISXLSSC-LRDDRELGSA-N 323.393 -0.299 30 20 DBED Cc1nc(O)[nH]c1C(=O)N1CC[C@](O)(CNC(=O)[C@@H](C)C#N)C1 1040762017 YNOWZVAUVIDVNP-RTHLEPHNSA-N 321.337 -0.723 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC3(F)F)C2)nn1 1041012679 WGFNHWBIZXUXKX-OPRDCNLKSA-N 309.276 -0.331 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)[C@@H](C)n2cccn2)C1 1041613360 SMFBPQLWBGYYDY-CYBMUJFWSA-N 318.377 -0.063 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)Cc2cc[nH]n2)C1 1042260702 ZTICWGHJSCIKPT-UHFFFAOYSA-N 304.350 -0.699 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)C2=CCOCC2)C1 1042716439 NFHBVVQAOBSWTI-UHFFFAOYSA-N 310.350 -0.775 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CO[C@@H](C)C2)C1 1043037014 XAEQBHLWXVCTRU-STQMWFEESA-N 324.377 -0.859 30 20 DBED N#Cc1cnc(N2C[C@H](O)[C@H](NC(=O)[C@H]3CCCCO3)C2)cn1 1043892923 HDNDHZLMJAHZJY-FRRDWIJNSA-N 317.349 -0.417 30 20 DBED Cc1c(C(=O)N(C)[C@H]2CN(CC#N)C[C@@H]2O)nnn1C(C)C 1047580436 JVLZEGALJHDJHR-RYUDHWBXSA-N 306.370 -0.192 30 20 DBED CC[C@@H](C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)C#N)C1)N(C)C 1049401927 NBAASLKORIRFES-VOAKCMCISA-N 310.398 -0.484 30 20 DBED N#Cc1ccc(N2CC[C@@H](NC(=O)c3ccon3)[C@@H](O)C2)nn1 1051633564 ZRZKSRDRSSUPRO-PWSUYJOCSA-N 314.305 -0.294 30 20 DBED N#Cc1cncc(NC2CC(CNC(=O)[C@H]3COC(=O)N3)C2)n1 1051918505 IOOOMYAMDOFXFX-NWGYLPEXSA-N 316.321 -0.237 30 20 DBED C[C@H](O)CN1CCN([C@@H]2CCN(C(=O)C#CC3CC3)C2)CC1 1052027215 YTRFNBWFVPWJFJ-GOEBONIOSA-N 305.422 -0.001 30 20 DBED C=CCOCC(=O)N1C[C@H](CNC(=O)CNC(C)=O)[C@@H](C)C1 1052213511 FUHXUQWWQLGALE-AAEUAGOBSA-N 311.382 -0.464 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)CCn1ccnn1)CCO2 1053234126 OYBXMLZXAMAOOC-UHFFFAOYSA-N 303.366 -0.395 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CCOC3)C[C@@H]2C1 1055217347 DOPBLIHCJNAFLK-TUVASFSCSA-N 320.389 -0.022 30 20 DBED N#Cc1cnc(N2C[C@H]3[C@H](NC(=O)[C@H]4COCCO4)[C@H]3C2)cn1 1056135355 OIUHKFAUAZIOPO-CZXHOFHRSA-N 315.333 -0.686 30 20 DBED C#CCOCCC(=O)N1CCC[C@H]2[C@@H]1CCN2C(=O)C(N)=O 1056401453 GSPPPTMWLRSAIA-RYUDHWBXSA-N 307.350 -0.897 30 20 DBED Cn1nnc(C(=O)N2CC[C@@H](Nc3ncc(C#N)cc3F)C2)n1 1056747104 IDQYEBYIIVJZNX-SECBINFHSA-N 316.300 -0.058 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)COCCOCC 1057174202 VCJQDAMESRKWTI-UHFFFAOYSA-N 316.398 -0.057 30 20 DBED Cc1c(C(=O)N(CCO)CCNC(=O)C#CC2CC2)nnn1C 1057258826 STMUWTHIVGOORQ-UHFFFAOYSA-N 319.365 -0.912 30 20 DBED N#Cc1ccc(C(=O)N(CCO)CCNC(=O)c2cocn2)[nH]1 1057366875 HUSJMPQGORHJGN-UHFFFAOYSA-N 317.305 -0.261 30 20 DBED C=CCn1cc(C(=O)N(CCO)CCNC(=O)[C@H]2C[C@H]2C)nn1 1057626481 SHRWSJWVZXJASL-NEPJUHHUSA-N 321.381 -0.329 30 20 DBED CCc1ncoc1C(=O)N(CCO)CCNC(=O)[C@H](C)C#N 1058776151 KLSHGULCCHWVQR-SNVBAGLBSA-N 308.338 -0.053 30 20 DBED CC(C)C#CC(=O)N1CCOC[C@@H]1CNC(=O)[C@H]1CCN(C)C1 1061595578 LDHYDGOKGJOYFT-GJZGRUSLSA-N 321.421 -0.059 30 20 DBED CNC(=O)NCC(=O)N1CCCC[C@@H]1CNC(=O)[C@@H](C)C#N 1062249787 HKZNMPBIWFNZRT-WDEREUQCSA-N 309.370 -0.428 30 20 DBED C=CCOCC(=O)NCC1(NC(=O)C2CN(C(C)=O)C2)CCC1 1062702852 GSFBODULAQAQHA-UHFFFAOYSA-N 323.393 -0.178 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(NC(=O)CC(=O)NCC)CCC1 1063041827 FYEMXICDKJKYIK-LBPRGKRZSA-N 323.393 -0.294 30 20 DBED N#Cc1ccc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)c2cncnc2O)nn1 1064309310 MTCZSOLELDKPTE-YDEJPDAXSA-N 323.316 -0.149 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@H]1CN(C(=O)c2cocn2)CCO1 1064971935 LVYUNXSTXVOZLE-ABAIWWIYSA-N 323.349 -0.041 30 20 DBED Cc1cc(C(=O)N2CCO[C@H](CNC(=O)[C@H](C)C#N)C2)cnn1 1065085115 GJERTCSWZUGNHZ-ZWNOBZJWSA-N 317.349 -0.098 30 20 DBED CN(C)C(=O)CC(=O)NC[C@@H]1CN(C(=O)C#CC2CC2)CCO1 1065137061 LPCZTFOMHQXWKU-CYBMUJFWSA-N 321.377 -0.778 30 20 DBED CN1CC[C@H](C(=O)N2CCO[C@@H](CNC(=O)C#CC3CC3)C2)C1 1065168722 DVWQDWRZIVNZJG-GJZGRUSLSA-N 319.405 -0.305 30 20 DBED C[C@@]1(CN=c2cc[nH]c(C#N)n2)CCN(C(=O)c2nc[nH]n2)C1 1065442712 HVTZAUKDZFDHGB-AWEZNQCLSA-N 312.337 -0.147 30 20 DBED CC(C)C#CC(=O)N1CCC[C@H](NC(=O)CNC(N)=O)CC1 1065823940 AORLMEYZIJRYOD-LBPRGKRZSA-N 308.382 -0.189 30 20 DBED C=C[C@@](C)(CC)C(=O)N[C@H]1COC2(C1)CN(C(=O)C(N)=O)C2 1069017240 JLPWZNKKPYBIJD-YGRLFVJLSA-N 309.366 -0.440 30 20 DBED CCn1cc(C(=O)NCc2cnn3c2CN(CC#N)CC3)nn1 1069879360 IJGKVQPGJPVVPK-UHFFFAOYSA-N 314.353 -0.236 30 20 DBED C#CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2nc[nH]n2)C1 1070056929 VNPMNFJNWVRWAA-MNOVXSKESA-N 300.326 -0.925 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2cnon2)C[C@H]1c1cn(C)cn1 1070547715 GWZCXIHDXDAJMD-GXFFZTMASA-N 300.322 -0.366 30 20 DBED C#CCCN1C[C@@H](NC(=O)CN2CCN(C)C(=O)C2)CC[C@H]1C 1071619783 UKTBYMHAOVLPIS-CABCVRRESA-N 320.437 -0.247 30 20 DBED C=CCn1cc(C(=O)N2CCC(C)(NC(=O)C(N)=O)CC2)nn1 1073037166 CLDOKULEDXWVDT-UHFFFAOYSA-N 320.353 -0.940 30 20 DBED C=CCOCC(=O)NC1(C)CCN(C(=O)Cn2ncnn2)CC1 1073047787 AUMYTQNGESXBLJ-UHFFFAOYSA-N 322.369 -0.627 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H](C)CCNC(=O)c1cnn(C)c1N 1076238263 APSJNHVWIBFPOL-ZUZCIYMTSA-N 323.397 -0.046 30 20 DBED C#CCOCCC(=O)N[C@@H](C)CCNC(=O)c1cn(C)nn1 1076368718 PMNGTPUUSAPIGW-NSHDSACASA-N 307.354 -0.520 30 20 DBED C#CCOCCC(=O)NCC[C@H](C)NC(=O)C1CN(C(C)=O)C1 1076504309 VPGDVQMEQNAWKJ-LBPRGKRZSA-N 323.393 -0.484 30 20 DBED C#CCO[C@H](C)C(=O)NCC[C@H](C)NC(=O)c1cncnc1O 1076510859 WKCVGDDYOSCSRK-WDEREUQCSA-N 320.349 -0.155 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)c2c[nH]nc2[C@@H]2CCOC2)C1 1077456090 XHLIVMUTOANUJJ-RAIGVLPGSA-N 306.366 -0.126 30 20 DBED C=CCN1CC[C@H](N2C[C@@H](O)[C@H](NC(=O)C(C)(C)C)C2)C1=O 1078053251 BEGUVDHLXUSGCB-FRRDWIJNSA-N 309.410 -0.019 30 20 DBED C[C@@H](C#N)C(=O)N1CCCO[C@@H](CNCc2cnn(C)n2)C1 1078357725 AQZSLGHFNQRVBZ-AAEUAGOBSA-N 306.370 -0.318 30 20 DBED C=CCOCC(=O)N(CC)C1CN(C(=O)COCCOC)C1 1079490183 DNEGSXZHFZBOSM-UHFFFAOYSA-N 314.382 -0.089 30 20 DBED CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)[C@H](C)N2CCOCC2)C1 1080420119 NPGYGXAOAMEOEB-OLZOCXBDSA-N 322.409 -0.074 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CO)(NC(=O)c2cnccn2)CC1 1080691602 YRQYZTUGFJWOFE-LLVKDONJSA-N 317.349 -0.280 30 20 DBED Cn1ccc(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C#CC3CC3)C2)c1 1081472363 XPDAVBCJEXNATG-LSDHHAIUSA-N 315.373 -0.012 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cncnc2O)C1 1081567017 PPFGBTGKLCWKHT-PWSUYJOCSA-N 320.349 -0.303 30 20 DBED C=CCCCC(=O)NC[C@@H]1CN(C(=O)CC(=O)NC)C[C@H]1O 1081703730 UFZYOLTXXIORBU-VXGBXAGGSA-N 311.382 -0.586 30 20 DBED C=CCOCC(=O)N1CCCC[C@H]1CNC(=O)[C@H]1C[C@H]1C(N)=O 1081958788 GFHVOVKGOOMJIK-XQQFMLRXSA-N 323.393 -0.192 30 20 DBED C#CCCCC(=O)NC[C@@H]1CCCCN1C(=O)[C@H]1CNC(=O)N1 1082260495 XRNNZCUAHCGWKT-QWHCGFSZSA-N 320.393 -0.031 30 20 DBED N#Cc1c[nH]c(C(=O)N2CCO[C@@H]3CN(CCCO)C[C@@H]32)c1 1083040224 BPNKRESLRNLFBR-UONOGXRCSA-N 304.350 -0.206 30 20 DBED C#CCCN1CC[C@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)[C@H]1C 1088958904 AJWSKEVMUSOERR-NEPJUHHUSA-N 320.393 -0.081 30 20 DBED Cc1cccn(CC(=O)N[C@H]2CCN(CC#N)C[C@@H]2O)c1=O 1090264846 IFQABXYAZZUDKU-STQMWFEESA-N 304.350 -0.768 30 20 DBED C#CCN1CC[C@H](NC(=O)Cc2nnn(C(C)(C)C)n2)[C@H](O)C1 1090293187 SFNHHPAEDRIJPA-NWDGAFQWSA-N 320.397 -0.845 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2cc3n(n2)CCO3)[C@H](O)C1 1090326783 LIYBYRYBVUSGFV-WCQYABFASA-N 304.350 -0.536 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(c2nccc(C)n2)C[C@H]1O 1090417766 GGPYCORLHCTDCP-LALPHHSUSA-N 306.366 -0.222 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2ccc3nncn3c2)[C@@H](O)C1 1090646967 MUONCHQQSRHHJA-KGLIPLIRSA-N 313.361 -0.082 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)[C@@H](O)C1 1090723490 XMXKGDPSNKVBGX-NEPJUHHUSA-N 324.381 -0.992 30 20 DBED CC(C)(C)C(=O)C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1091079346 PEMQLEIDCKCYNW-MNOVXSKESA-N 317.349 -0.371 30 20 DBED COC[C@H](OC)C(=O)N1CCN(c2nc(C)cc(C#N)n2)CC1 1093193187 DPRTWXRLVPEZRJ-ZDUSSCGKSA-N 319.365 -0.033 30 20 DBED Cc1cc(N2C[C@H]3C(NC(=O)[C@H](C)C#N)[C@@H]3C2)nc(CO)n1 1093233495 ASYAIKLWZWZXNI-FBIMIBRVSA-N 301.350 -0.012 30 20 DBED N#Cc1nccnc1N1C[C@H]2C(NC(=O)CCn3ccnn3)[C@@H]2C1 1093260732 PCBADQRGGAJOFZ-GHMZBOCLSA-N 324.348 -0.419 30 20 DBED C#CCCN1CC(n2cc(CNC(=O)c3cnccn3)nn2)C1 1094270744 HJFKFOGELOHMHU-UHFFFAOYSA-N 311.349 -0.122 30 20 DBED Cc1nc[nH]c1CC(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1 1094811291 MCXCMJYYZMKFFM-NSHDSACASA-N 316.365 -0.815 30 20 DBED COC[C@@H](OC)C(=O)N1CCC(N=c2cc[nH]c(C#N)n2)CC1 1095248838 XNWXWJNZQXRQSO-GFCCVEGCSA-N 319.365 -0.166 30 20 DBED CCc1nc(C#N)cc(N2CCC(NC(=O)CC(N)=O)CC2)n1 1095400122 JWLFSGDGCSJYMC-UHFFFAOYSA-N 316.365 -0.129 30 20 DBED CN(CCCNC(=O)[C@H]1CCC(=O)N1C)c1cncc(C#N)n1 1095706719 DLNSZHDEANMWDL-GFCCVEGCSA-N 316.365 -0.088 30 20 DBED COCCOCC(=O)NC[C@@H](N=c1cc[nH]c(C#N)n1)C1CC1 1096598233 KADSKYMIBOKDAJ-GFCCVEGCSA-N 319.365 -0.260 30 20 DBED C[C@H](CC(N)=O)C(=O)NC[C@@H](N=c1cc[nH]c(C#N)n1)C1CC1 1096768011 CSCKOSPAKHSYHT-MWLCHTKSSA-N 316.365 -0.412 30 20 DBED C#CCOCCC(=O)N1CC[C@H](Nc2nccn3nnnc23)C1 1096960836 IMCNEFZXALEIFA-NSHDSACASA-N 315.337 -0.428 30 20 DBED Cc1cc(C#N)nc(N2CCCC[C@H]2CNC(=O)C(N)=O)n1 1097459172 RBHXARWVABYJNI-NSHDSACASA-N 302.338 -0.383 30 20 DBED CC(=O)N(C)CC(=O)N1CC[C@@H](CN=c2cc[nH]c(C#N)n2)C1 1098508439 PHJHIPZQGSQKPQ-LBPRGKRZSA-N 316.365 -0.491 30 20 DBED N#CCN(CCO)C1CCN(C(=O)c2cc(C(N)=O)c[nH]2)CC1 1098514420 SXOIOYDTNTYVPC-UHFFFAOYSA-N 319.365 -0.464 30 20 DBED Cn1cc(C(=O)N2CC[C@@H](n3cc(CNCC#N)nn3)C2)nn1 1098667027 OSRJBHGAGJNWMR-LLVKDONJSA-N 315.341 -0.893 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)CCOCC)[C@H](O)C1 1099730202 SIKHWXLVBFESKU-CHWSQXEVSA-N 313.398 -0.733 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(Cc2cncn2C)C[C@@H]1O 1099741467 UKOMNIVNNTUIQK-KGLIPLIRSA-N 308.382 -0.326 30 20 DBED N#CCNC(=O)CNC1CC(CNC(=O)[C@H]2CC2(F)F)C1 1100300122 OWGXJHFFEFHURU-UDNWOFFPSA-N 300.309 -0.234 30 20 DBED CCN(CCNC(=O)[C@@H]1CCNC(=O)C1)c1cnc(C#N)cn1 1100498746 FBPOKAJOULNICX-LLVKDONJSA-N 316.365 -0.183 30 20 DBED N#Cc1cnc(N2CCC[C@H]2CNC(=O)Cn2ncnn2)cn1 1100868011 LPJWDRMOZMKJJJ-NSHDSACASA-N 313.325 -0.880 30 20 DBED N#Cc1cnc(N2CCC[C@H]2CNC(=O)Cn2nccn2)cn1 1100872509 ZGWYIPBWRDPXNY-LBPRGKRZSA-N 312.337 -0.275 30 20 DBED COc1ccc(C(=O)N(C)CCN=c2cc[nH]c(C#N)n2)nn1 1101751309 KEOGIFWPLMSWLV-UHFFFAOYSA-N 313.321 -0.247 30 20 DBED COCC#CCN1C[C@@H](C)[C@H](CNC(=O)[C@H]2CCC(=O)N2)C1 1101810366 DFEDDKAYEKETFK-MGPQQGTHSA-N 307.394 -0.401 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)[C@@H]1CCN(C)C1=O 1101907697 MRZZQGCDCTUKOK-SNVBAGLBSA-N 302.338 -0.881 30 20 DBED C=CCN1C[C@@H](C)[C@H](CNC(=O)CCn2cc[nH]c(=O)c2=O)C1 1102470081 MFELDYWHWXTQMC-CHWSQXEVSA-N 320.393 -0.203 30 20 DBED CC(=O)NCC(=O)N(C)[C@H]1CCN(c2nc(C)cc(C#N)n2)C1 1102670125 RDYDPCZGXFPFDL-ZDUSSCGKSA-N 316.365 -0.170 30 20 DBED C[C@H](CNC(=O)[C@H]1COCCO1)CNc1ccc(C#N)nn1 1103878687 YHHXRWQUKSHVGA-CMPLNLGQSA-N 305.338 -0.072 30 20 DBED C[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1CCNCc1nnn(C)n1 1104005279 YPNCESWOADFHTA-IJLUTSLNSA-N 305.386 -0.056 30 20 DBED C[C@@H]1CN(C(=O)Cn2ccc(O)nc2=O)C[C@H]1CCNCC#N 1104393887 BNOSQKMXBXCZFN-VXGBXAGGSA-N 319.365 -0.453 30 20 DBED C#CCNCc1cn(C2CN(C(=O)[C@H](C)n3cncn3)C2)nn1 1105215918 KVKHALFARHEPEI-NSHDSACASA-N 314.353 -0.763 30 20 DBED CC#CCNCc1cn(C2CN(C(=O)c3cncn3C)C2)nn1 1105276498 LLQNOXMVNNIAQM-UHFFFAOYSA-N 313.365 -0.178 30 20 DBED Cc1cc(N(C)CCN(C)C(=O)CNC(N)=O)c(C#N)cn1 1105343649 QZLFWASAGGBFFW-UHFFFAOYSA-N 304.354 -0.175 30 20 DBED C#CCNC(=O)CC(=O)N(C)CCN(C)c1cc(C)ncn1 1105368681 WCRXEURRQRFSTK-UHFFFAOYSA-N 303.366 -0.181 30 20 DBED Cn1cccc1C(=O)NC[C@H](O)CNc1ccc(C#N)nn1 1105755295 QTURRRIWBILWGO-LLVKDONJSA-N 300.322 -0.110 30 20 DBED N#Cc1nc(NC[C@H](O)CNC(=O)CC(N)=O)sc1Cl 1105761781 CGZLFXJTKJVSSY-RXMQYKEDSA-N 317.758 -0.567 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H](O)CNc1cccc(F)n1 1105791698 FDAJNPBKQVQWMJ-JTQLQIEISA-N 308.313 -0.751 30 20 DBED CNC(=O)NCCC(=O)NC[C@@H](O)CNc1ncccc1C#N 1105815154 DJFBQYMXTIELME-LLVKDONJSA-N 320.353 -0.839 30 20 DBED Cc1nc(NC[C@@H](O)CNC(=O)CCNC(N)=O)ccc1C#N 1105853242 JTEZWLIPRHGODZ-LLVKDONJSA-N 320.353 -0.791 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)c2cnnc(O)c2)nc1 1105993200 ICADSDOPNQPLDT-LLVKDONJSA-N 314.305 -0.348 30 20 DBED N#Cc1cccnc1NC/C=C\CNC(=O)[C@H]1CNC(=O)N1 1107489303 BCNZBSBMRGFXGZ-RFMOXSJOSA-N 300.322 -0.281 30 20 DBED COC[C@H](O)CN1CCO[C@](C)(CNC(=O)C#CC(C)C)C1 1107926591 KPADOUQCBQHCTE-GDBMZVCRSA-N 312.410 -0.140 30 20 DBED C=CCCC(=O)N[C@@H]1CC(=O)N(C2CN([C@H](C)C(=O)NC)C2)C1 1108520304 SAAPKRDAARKSFA-VXGBXAGGSA-N 322.409 -0.512 30 20 DBED CN(CCCN=c1cc[nH]c(C#N)n1)C(=O)CCc1cnn[nH]1 1109620319 VMHAQNVCUZWDJH-UHFFFAOYSA-N 314.353 -0.219 30 20 DBED N#Cc1ccc(NC2(CNC(=O)[C@@H]3CNC(=O)N3)CC2)nc1 1110324347 KJVDEGJTESSRPL-JTQLQIEISA-N 300.322 -0.305 30 20 DBED N#Cc1cnc(N2CC[C@](O)(CNC(=O)[C@@H]3CCCO3)C2)cn1 1111032099 SCMCEBJPOLULRN-WFASDCNBSA-N 317.349 -0.415 30 20 DBED COC[C@@H](OC)C(=O)N(CCO)CCNc1ccc(C#N)nc1 1111555833 GGNYYEJRUQJNJH-CQSZACIVSA-N 322.365 -0.153 30 20 DBED COC[C@H](OC)C(=O)N(CCO)CCNc1ncccc1C#N 1111556099 RPFCLJNABJXWLU-ZDUSSCGKSA-N 322.365 -0.153 30 20 DBED N#CCNC(=O)CN1C[C@@H]2CCC[C@]2(NC(=O)c2nc[nH]n2)C1 1111907870 LAAZDLFNVBJGIQ-HZMBPMFUSA-N 317.353 -0.971 30 20 DBED CCOCCC(=O)NC[C@H]1CN(c2nccnc2C#N)C[C@H]1O 1112701267 FSTPWUDBEDOWHS-WCQYABFASA-N 319.365 -0.312 30 20 DBED C=CCNC(=O)NC(=O)CN1CCN(C(=O)c2ncc[nH]2)CC1 1112823917 UWUBZSNLVDCTDB-UHFFFAOYSA-N 320.353 -0.821 30 20 DBED C[C@@H](N=c1cc[nH]c(C#N)n1)[C@@H](C)NC(=O)Cn1cnnc1O 1112978499 MPBMXGILIFJTIW-RKDXNWHRSA-N 316.325 -0.927 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)CSC(C)C)[C@H]2C1 1113891706 WMFKISDSOAGLLD-RYUDHWBXSA-N 309.435 -0.076 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)CCOCC)[C@@H]2C1 1114044888 OWDMBACTBRRBMU-YNEHKIRRSA-N 307.394 -0.403 30 20 DBED C#CCOCCC(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC=C)C[C@@H]21 1114265807 JHHZKPIBLOEMKD-VIKVFOODSA-N 305.378 -0.625 30 20 DBED C=CC(C)(C)C(=O)NC1[C@@H]2CN(CCN3C(=O)CNC3=O)C[C@@H]12 1114686971 VKRXYGDYDRGVRZ-GHMZBOCLSA-N 320.393 -0.203 30 20 DBED CC#CCCCC(=O)NC1[C@@H]2CN([C@@H](C)C(=O)NC(N)=O)C[C@@H]12 1114710293 BBDZPCSYZZZSFD-QJPTWQEYSA-N 320.393 -0.190 30 20 DBED C=CCOCCN1C[C@H]2C(NC(=O)C(=O)NCC3CC3)[C@@H]2C1 1115036269 QDPZPPUMQAFRTN-CHWSQXEVSA-N 307.394 -0.238 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N1CCC(CC(=O)NC)CC1 1117544902 RFXGECMCJNYRKB-LBPRGKRZSA-N 311.382 -0.322 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCC(O[C@H]2CCOC2)CC1 1118072186 MHIDNJYUFALKDM-AWEZNQCLSA-N 324.377 -0.451 30 20 DBED CC(C)OCCC(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1 1121135863 ISDIHLXERJAGSZ-NSHDSACASA-N 307.354 -0.526 30 20 DBED CCCC(=O)NCC(=O)NC[C@@H](CO)Nc1nccnc1C#N 1121160039 XNKVCGGPZHVMCO-JTQLQIEISA-N 320.353 -0.846 30 20 DBED CN1CCC(C(=O)NC[C@H](CO)Nc2cnc(C#N)cn2)CC1 1121717742 JFUYCKVGAVWYJJ-CYBMUJFWSA-N 318.381 -0.421 30 20 DBED N#Cc1cccnc1N[C@@H](CO)CNC(=O)[C@H]1CCCC(=O)N1 1122176995 HTRXKBMOOJHYDX-VXGBXAGGSA-N 317.349 -0.489 30 20 DBED COC1CC(C(=O)NC[C@@H](CO)N=c2cc[nH]cc2C#N)C1 1122177214 NIDVVMDQIKHZSI-YDGIUTOCSA-N 304.350 -0.311 30 20 DBED C[C@H](CC(N)=O)C(=O)NC[C@@H](CO)Nc1ccc(C#N)nc1 1122354889 KCQZBRGHSTXWHM-SKDRFNHKSA-N 305.338 -0.646 30 20 DBED C[C@@H]1CCN(CC(=O)NC[C@@H](CO)Nc2ccc(C#N)nn2)C1 1122526819 MICITTSAVOKPKR-YPMHNXCESA-N 318.381 -0.421 30 20 DBED Cc1c[nH]nc1C(=O)N(C)C[C@H](O)CNc1cnc(C#N)cn1 1124283522 MKTPROYJRNAADP-LLVKDONJSA-N 315.337 -0.075 30 20 DBED CCS(=O)(=O)NCC(=O)NCCNCC#Cc1ccccc1 1128595309 XOPHHYNWGJHFHH-UHFFFAOYSA-N 323.418 -0.317 30 20 DBED C=CCO[C@H](C)C(=O)N1C[C@H](n2ccnn2)[C@H](NCCOC)C1 1130151451 RJWQSVHEFHYSCB-MCIONIFRSA-N 323.397 -0.143 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1cncc(OC)c1C 1130245734 AHOPRWGZZOFBHV-GFCCVEGCSA-N 318.377 -0.144 30 20 DBED C=CCCN1CCOC[C@H]1c1n[nH]c(CNC(=O)CC(N)=O)n1 1130839311 KZJNXPNFIBBGPA-JTQLQIEISA-N 322.369 -0.754 30 20 DBED COCCN1CCNC(=O)CCN(C(=O)C#CC(C)C)CC1 1131357501 ZSFPVQPGNNNNQS-UHFFFAOYSA-N 309.410 -0.057 30 20 DBED C#CCNC(=O)CN1C[C@H](NC(=O)CSCC#N)CC[C@@H]1C 1131826675 RTHWMIYJNHXHRL-QWHCGFSZSA-N 322.434 -0.038 30 20 DBED COCC#CCNCCNC(=O)C[C@H]1CCCS1(=O)=O 1131874146 PUWFSQMHOFRKHA-GFCCVEGCSA-N 302.396 -0.691 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)Cn2nccn2)CC[C@@H]1C 1132060833 LQOTWZVSROAJKW-STQMWFEESA-N 320.397 -0.451 30 20 DBED CN1C[C@@H](C(=O)NCCNCc2ccc(F)c(C#N)c2)NC1=O 1132382364 JATYPHXJTCNAPS-ZDUSSCGKSA-N 319.340 -0.073 30 20 DBED C=C[C@@H](CC)CC(=O)NCCNCC(=O)N1CCNC(=O)C1 1132660152 JOFVTKWCZSLYRI-LBPRGKRZSA-N 310.398 -0.747 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)COCc2nccn2C)C1 1149886750 BRSLFPUSGIFETM-CQSZACIVSA-N 320.393 -0.223 30 20 DBED CC(=O)Nc1cccc(C(=O)NCCNCC(=O)NCC#N)c1 1150864054 IQBHANKNZMCHMZ-UHFFFAOYSA-N 317.349 -0.396 30 20 DBED C=CCO[C@H](C)C(=O)NCCNCC(=O)NC[C@@H]1CCOC1 1153149543 YESNMGJAIBYECT-OLZOCXBDSA-N 313.398 -0.564 30 20 DBED C#CCCN(CC)[C@H](C)CNC(=O)[C@H]1CCN(C)S1(=O)=O 1155750948 AAQLLTKZAVZFNC-CHWSQXEVSA-N 315.439 -0.130 30 20 DBED C[C@H](C(=O)NCCCNCC(=O)NCC#N)c1ccnn1C 1158295215 SLKDIRUCGPOQBL-NSHDSACASA-N 306.370 -0.741 30 20 DBED COC[C@@H](C)C(=O)NCCC1(CNCC(=O)NCC#N)CC1 1163791182 JSPBRKTWDFBEMI-GFCCVEGCSA-N 310.398 -0.215 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)[C@@H](C(C)C)N(C)C 1166010081 GKOFUCZMTBNOCR-ZIAGYGMSSA-N 310.442 -0.194 30 20 DBED COCC#CCNCCCNC(=O)Cc1nc(C2CC2)nn1C 1176606236 RYQMQPQWIQAUNC-UHFFFAOYSA-N 319.409 -0.019 30 20 DBED C=C(Cl)CNCCCNC(=O)CNC(=O)Cn1cncn1 1176894403 QTZQZMNKCWEHJB-UHFFFAOYSA-N 314.777 -0.757 30 20 DBED C#CCNC(=O)CNCCCCCCNC(=O)c1ncn(C)n1 1178395589 PAQPAHZDTUITKA-UHFFFAOYSA-N 320.397 -0.556 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)[C@H](CC)NC(C)=O)[C@H]1C 1179573639 GQIFUEXTEWLFPL-UBHSHLNASA-N 324.425 -0.218 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2cn(C)nc2C)C1 1181698762 OQXFQATWWCMRJN-QWHCGFSZSA-N 317.393 -0.329 30 20 DBED CN(CC(=O)NCC#N)[C@H]1CCN(C(=O)[C@@H]2CCCOC2)C1 1189327000 KIQIUCZODCBYTH-OLZOCXBDSA-N 308.382 -0.415 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](N(C)CC#CCOC)C1 1189760144 HULDPCRXYFYZNW-CQSZACIVSA-N 305.378 -0.692 30 20 DBED CNC(=O)NC(=O)CN(C)[C@H]1CCN(C(=O)C#CC2CC2)C1 1190035715 GFWCAQLIBSSVIM-LBPRGKRZSA-N 306.366 -0.612 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)CSC)C1 1190913717 JQPWTQWNFREBRS-HBNTYKKESA-N 301.412 -0.799 30 20 DBED COCC(C)(C)C(=O)N1CC[C@H](N(C)CC(=O)NCC#N)C1 1191361367 ZVFNYUJWCTUAPP-LBPRGKRZSA-N 310.398 -0.169 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2nc(C)c(C)o2)C[C@H]1O 1192844527 XCMJFCHKZAKLBN-BFHYXJOUSA-N 321.377 -0.009 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)[C@@H](C)OCC=C)C1 1194397256 RPBNBRGKXFXDBG-KGLIPLIRSA-N 307.394 -0.140 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)[C@H](CC)NC(C)=O)CC1 1197227333 OFNCPQPXTXSJSQ-AWEZNQCLSA-N 324.425 -0.262 30 20 DBED C=CCCCN1C[C@@H](O)[C@H](NC(=O)C(=O)N2CC[C@H](C)C2)C1 1197627804 UYVFMHYEACBEQD-BFHYXJOUSA-N 309.410 -0.018 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@H](C)OCC=C)CC1 1198344940 XRXKAERUQRZENS-AWEZNQCLSA-N 307.394 -0.139 30 20 DBED CC(C)N1C[C@@H](C(=O)N2CCCO[C@H](CNCC#N)C2)CC1=O 1200634460 DUNXZVYTWUAKAL-UONOGXRCSA-N 322.409 -0.026 30 20 DBED C#CCNC[C@H]1CN(C(=O)c2ccn(CCOC)n2)CCCO1 1200937707 MZPJQWBPIOBXOO-AWEZNQCLSA-N 320.393 -0.017 30 20 DBED N#CCNC[C@H]1CN(C(=O)c2coc(C(N)=O)c2)CCCO1 1201063959 ZOPIEPUABCKIGG-NSHDSACASA-N 306.322 -0.277 30 20 DBED C#CCNC(=O)CNC[C@H]1CN(C(=O)c2cnco2)CCCO1 1201096329 IIJLUQSAIUAEBE-LBPRGKRZSA-N 320.349 -0.755 30 20 DBED C#CCCNC1CCN(C(=O)CC[C@@H]2NC(=O)NC2=O)CC1 1203631937 FQKPPXQLPDPQRG-LBPRGKRZSA-N 306.366 -0.422 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)[C@@H](C)COC)CC1 1204771380 ATXHWZWVHBDGQX-ZDUSSCGKSA-N 309.410 -0.154 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2nnnn2C)C[C@H]1C 1206959041 RKMFEPLIZRPKLG-VXGBXAGGSA-N 306.370 -0.814 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC[C@H](NCc2nc(O)n[nH]2)C1 1208025211 IZTGZXFTTSYLJD-MNOVXSKESA-N 307.354 -0.371 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CCC(=O)NC2)C[C@H]1C 1215033638 HROKPQJHSUDLRX-FRRDWIJNSA-N 322.409 -0.749 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(CCN2CCCC2=O)C[C@@H]1O 1219573276 OPNCQGHDHZBSTD-KGLIPLIRSA-N 307.394 -0.571 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(CC(=O)N(C)CC2CC2)C[C@@H]1O 1219581307 LNKZCGFGOCNYLY-CABCVRRESA-N 321.421 -0.325 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN([C@H](C)c2nnnn2C)C[C@@H]1O 1219587854 ZPYKKONWYCZGDB-UTUOFQBUSA-N 306.370 -0.908 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)[C@@H](CCCC)NC(N)=O)C1 1221159495 OZZTXPVRCUSJDK-UPJWGTAASA-N 312.414 -0.049 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)CCCC(N)=O)C1 1222117402 JDAMGUNRSSDYRI-CHWSQXEVSA-N 322.409 -0.640 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)[C@H](C)NC(C)=O)CC1 1225910239 DIXAPDYXRYFXLV-NSHDSACASA-N 310.398 -0.606 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC(NC(=O)c2cncnc2)CC1 1226985849 LBPOZMXVLCCLMT-GFCCVEGCSA-N 315.377 -0.191 30 20 DBED C#CCCN1CCC(NC(=O)CCS(=O)(=O)NC)CC1 1227323343 QJGHPMSSRMTULB-UHFFFAOYSA-N 301.412 -0.470 30 20 DBED N#CCNC(=O)CN1CCC(NC(=O)CO[C@@H]2CCOC2)CC1 1227353183 RSFRVUFUYBHETG-CYBMUJFWSA-N 324.381 -0.988 30 20 DBED Cc1cc(CC(=O)N(C)C[C@@H]2CCN2CC(=O)NCC#N)n[nH]1 1233675623 ZYUAOBMYBAXUFB-ZDUSSCGKSA-N 318.381 -0.567 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)CCO1 1261161764 CDLUWMDVVPBYBY-XQHKEYJVSA-N 307.350 -0.189 30 20 DBED C#CCCCCNC(=O)C(=O)N1CC[C@H](N2CCOC2=O)C1 1261701109 YEJGXODXPJBCFI-LBPRGKRZSA-N 307.350 -0.041 30 20 DBED C=CCN1CCC(NC(=O)C(=O)N2CCCNC(=O)C2)CC1 1261948719 JAKAYIOVRVZEOK-UHFFFAOYSA-N 308.382 -0.899 30 20 DBED Cn1c(=O)c2c(ncn2CCn2cnc(C#N)c2C#N)n(C)c1=O 1320263979 AABDKFGFWJKTCX-UHFFFAOYSA-N 324.304 -0.926 30 20 DBED C=C[C@@H](COC)NS(=O)(=O)c1cccc(S(N)(=O)=O)c1 1320294987 SMWUYDKSWSCUOG-VIFPVBQESA-N 320.392 -0.187 30 20 DBED COC(=O)CCCC(=O)NCCN/C(O)=C1/N=CC=CC1=O 1320793448 UTSSVYAAYPIWBK-YPKPFQOOSA-N 309.322 -0.028 30 20 DBED CN1CCC(C#N)(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 1322551077 WMCVIAQKVZSVNQ-UHFFFAOYSA-N 319.321 -0.139 30 20 DBED N#CCCOCCN1CCN(CCOCCC#N)CC(O)C1 1324266802 NHIMGCCFIUAFAR-UHFFFAOYSA-N 310.398 -0.175 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)N2CCOCC3(CCC3)C2)CCO1 1325163230 OCSCWDWOEBWIGX-LBPRGKRZSA-N 307.350 -0.234 30 20 DBED CCN1CCCN(C(=O)C(=O)NCC2(CC#N)CC2)CC1=O 1326144243 KNIWZXRYYJQWRY-UHFFFAOYSA-N 306.366 -0.123 30 20 DBED CC#CC[C@@H](CO)NC(=O)c1nnn(Cc2noc(C)n2)c1C 1326379696 AYMNBTPXIVQRRZ-NSHDSACASA-N 318.337 -0.170 30 20 DBED N#Cc1ccc(NC(=O)C(=O)N2C[C@@H](CO)[C@H](CO)C2)cc1F 1329123602 QMZIODAPVMKYLW-QWRGUYRKSA-N 321.308 -0.305 30 20 DBED C#CCN1CCC[C@H](NC(=O)NC[C@H](O)c2cnn(C)c2)C1 1333678493 RXIWHUUWALPAQF-KBPBESRZSA-N 305.382 -0.150 30 20 DBED CC(C)(O)[C@H]1CCCN(C(=O)C(=O)N2CCO[C@H](C#N)C2)C1 1335887032 PBVODTNSQFTYGK-NWDGAFQWSA-N 309.366 -0.253 30 20 DBED N#CC1(CNS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)CC1 1339720501 AHDPEGAGEQBDIS-UHFFFAOYSA-N 320.330 -0.202 30 20 DBED CCN1CCO[C@@H](C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1 1339747302 PVEACGUVKBVEIY-GMXMXKFQSA-N 322.365 -0.650 30 20 DBED N#Cc1ccc(NC(=O)C(=O)NC[C@H](O)C(F)(F)F)nc1 1343929877 ZKMFRTXWQIYSGZ-ZETCQYMHSA-N 302.212 -0.069 30 20 DBED N#CCCCCNC(=O)C(=O)N1CC[C@@H]2NC(=O)CC[C@@H]2C1 1347497837 GMAYMXTYDGYNDH-NEPJUHHUSA-N 306.366 -0.076 30 20 DBED C=C(CN(C)C)C(=O)N1CCC(n2cc(C(N)=O)nn2)CC1 1348399771 LBXXJAKWYIESTK-UHFFFAOYSA-N 306.370 -0.342 30 20 DBED C=CCn1c([C@H](O)COC)nnc1N1CCN2C(=O)OC[C@H]2C1 1356193022 KELSLIVXGSRHLC-GHMZBOCLSA-N 323.353 -0.215 30 20 DBED C[C@H](O)C[C@H]1CCCN1C(=O)Cn1cc(C#N)c(O)nc1=O 1362313919 QNRZZWFOFVEETA-GXSJLCMTSA-N 306.322 -0.418 30 20 DBED N#Cc1ncn(CC(=O)N2CCC[C@@]3(CCS(=O)(=O)C3)C2)n1 1362455758 UOKUSHZQPRZROW-CYBMUJFWSA-N 323.378 -0.423 30 20 DBED Cc1nnsc1CNC(=O)Cn1cc(C#N)c(O)nc1=O 1362654699 ITDHDMIYYAPLDX-UHFFFAOYSA-N 306.307 -0.703 30 20 DBED COC(=O)C1(C#N)CCN(C(=O)C2=NN3CCCN=C3N2)CC1 1362915324 QYBYUZVZUFVDSL-UHFFFAOYSA-N 318.337 -0.730 30 20 DBED N#CCc1cccc(C(=O)N2C[C@@H](C(N)=O)[C@@H](C(N)=O)C2)c1 1363321658 VFNJKVSGUOEQHD-TXEJJXNPSA-N 300.318 -0.589 30 20 DBED CN(C)c1ncc(CNc2[nH]c(=O)n(C)c(=O)c2C#N)n1C 1364155328 YJOZPFYHNDRPSX-UHFFFAOYSA-N 303.326 -0.643 30 20 DBED C[C@H](C#N)C(=O)NC1(C)CCN([C@H](C)C(=O)NC(N)=O)CC1 1368111849 JCTDJNXIUIYWOX-NXEZZACHSA-N 309.370 -0.300 30 20 DBED N#Cc1cn(CCNC(=O)NCCn2cccc2)c(=O)nc1O 1368708700 SSOTTXAGPITNOZ-UHFFFAOYSA-N 316.321 -0.379 30 20 DBED C=C(Cl)CNC[C@H](O)CN(C)C(=O)[C@H]1CCC(=O)N1C 1369470619 OETPILVMJYNZCQ-WDEREUQCSA-N 303.790 -0.231 30 20 DBED CCN(CCNC(=O)[C@@H](C)C#N)C(=O)c1cccc(C(N)=O)n1 1373936647 MBADVRUOWYCXLK-JTQLQIEISA-N 317.349 -0.082 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CCCN1C(=O)c1ccc(=O)n(C)n1 1374049458 GAIXBNXFBAQOBX-WDEREUQCSA-N 317.349 -0.339 30 20 DBED C=C(Cl)CNC[C@@H](O)CN(C)C(=O)CCS(C)(=O)=O 1379813204 ZSZHUOPXXMTKKY-SNVBAGLBSA-N 312.819 -0.418 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H](C)CNC(=O)c1c[nH]c(C(N)=O)c1 1380739060 XSXKABMIJNABCJ-RKDXNWHRSA-N 305.338 -0.150 30 20 DBED COC(=O)NCC(=O)N(C)[C@@H](CNC(=O)[C@@H](C)C#N)C1CC1 1383600782 RWCRQQBCRRQHKG-ONGXEEELSA-N 310.354 -0.145 30 20 DBED CC(=O)NCC(=O)NC[C@H]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 1384438675 ODRNMTPICSTZEF-KLPPZKSPSA-N 317.349 -0.353 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@@H](CNC(=O)c2cc(=O)n(C)cn2)C1 1384966910 KKGIBAOLWCAVJU-GARJFASQSA-N 317.349 -0.435 30 20 DBED C=C(Cl)CNC1(CNC(=O)CN2CCNC(=O)C2)CC1 1392922473 DESLHFZHUYFYED-UHFFFAOYSA-N 300.790 -0.591 30 20 DBED C[C@H](C#N)C(=O)N(CCNC(=O)[C@@H]1CCCN1C(N)=O)C1CC1 1398356184 ZXENCKALWGCTEK-PWSUYJOCSA-N 321.381 -0.204 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1cnc(C2CC2)o1 1399874797 WPXSOIVHYKPNHH-WPRPVWTQSA-N 306.322 -0.081 30 20 DBED CO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1NC(=O)CCc1cn[nH]c1 1406352479 NJYNJYMMQRKXRK-RAIGVLPGSA-N 319.365 -0.156 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H](CNC(=O)CCn1cncn1)C1CC1 1407588993 LDQSWBQABICQCH-JQWIXIFHSA-N 304.354 -0.161 30 20 DBED N#Cc1cn(CC(=O)N(C[C@H]2CCOC2)C2CC2)c(=O)nc1O 1411620060 XAEQXAWGBYFRAB-SNVBAGLBSA-N 318.333 -0.152 30 20 DBED CCCN(CCNC(=O)CS(=O)(=O)CC)C(=O)[C@H](C)C#N 1431805055 NBRJHOHBFNOUAW-LLVKDONJSA-N 317.411 -0.064 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1C[C@@H](NCC(=O)N2CCO[C@H](C)C2)C1 1440280073 XPXMKCGNJDUXRJ-RFQIPJPRSA-N 322.409 -0.122 30 20 DBED C=CCn1c(CO)nnc1N1C[C@@H](C(=O)OCC)C2(COC2)C1 1520547203 FVUAQGRIMWPPLB-NSHDSACASA-N 322.365 -0.028 30 20 DBED CCN(CCNC(=O)[C@H](C)C#N)C(=O)[C@H]1COCCN1CC 1529070271 VPAIWZNAXZYXPC-CHWSQXEVSA-N 310.398 -0.169 30 20 DBED CCCS(=O)(=O)CC(=O)NC1(CNC(=O)[C@H](C)C#N)CC1 1535886242 XUEMZWFZIRFULW-SNVBAGLBSA-N 315.395 -0.264 30 20 DBED CC(C)(CC#N)CNC(=O)NCCn1cnc(-c2nn[nH]n2)n1 1573893677 QZSIQWXYRSXNID-UHFFFAOYSA-N 318.345 -0.303 30 20 DBED C=C(C)C[C@H](NC(=O)[C@]1(F)CNCC12COC2)C(=O)OC 1574830697 JTHXLNBWRFHTKE-IINYFYTJSA-N 300.330 -0.062 30 20 DBED CC#CC[C@@H](N)C(=O)N1CCN(C(=O)N2CCOCC2)CC1 1574962204 HJPPEMSGKKZYRJ-CYBMUJFWSA-N 308.382 -0.677 30 20 DBED C=CCn1cc(C(=O)N[C@H](C)CNCCc2cnn[nH]2)nn1 1575111688 JOISPNIDPMABSO-SNVBAGLBSA-N 304.358 -0.467 30 20 DBED C[C@@H](CCNC(=O)[C@@H](C)C#N)NCC(=O)NCc1cnn[nH]1 1575529191 HUFZBMIQWYEVKB-UWVGGRQHSA-N 307.358 -0.935 30 20 DBED CCOC(=O)CON=C(C(=O)N(C)[C@@H](C)CN)c1cc[nH]n1 1577954342 KFPGGIYPIMWQIU-VIFPVBQESA-N 311.342 -0.501 30 20 DBED O=C(C#CC1CCNCC1)N1CCC2(CC1)C[C@H](O)CNC2=O 1580473127 OQWRPOIOCAQGKB-AWEZNQCLSA-N 319.405 -0.521 30 20 DBED N#Cc1nc(N[C@@H]2CCCN(C(N)=O)C2)cnc1-c1nn[nH]n1 1581880865 XNGQGIJGWLAIOH-SSDOTTSWSA-N 314.313 -0.517 30 20 DBED C#C[C@H](C)N(C)c1nnc(-c2cnc(-c3nn[nH]n3)cn2)n1C 1588326461 MHUUSNLQWBXUKU-QMMMGPOBSA-N 310.325 -0.090 30 20 DBED C#CC[C@H](NC(=O)c1cc(S(N)(=O)=O)oc1Cl)C(=O)O 1588413757 HMDWGUXHIYDLBX-LURJTMIESA-N 320.710 -0.213 30 20 DBED C#CCN(CC(=O)O)c1nnc(CCCS(C)(=O)=O)n1C 1588427462 YTRGWYQAFLDKCX-UHFFFAOYSA-N 314.367 -0.684 30 20 DBED C=CCCOCC(=O)NCC1CN(C(=O)[C@H]2C[C@@H]2C(=O)O)C1 1588810574 YJRVFMZPPBXSNF-RYUDHWBXSA-N 310.350 -0.126 30 20 DBED CCN(CCC#N)S(=O)(=O)N[C@@H](CCC(=O)OC)C(=O)O 1589729825 BJWZZTDDULYETG-VIFPVBQESA-N 321.355 -0.537 30 20 DBED N#CCNC(=O)CNC(=O)CNc1ccc(-c2nn[nH]n2)cc1 1606350038 LYYWDVKYJVQARH-UHFFFAOYSA-N 314.309 -0.965 30 20 DBED C#CCN(C(=O)[C@@H]1C[C@H]1C)C1CCN(CC(=O)NC(N)=O)CC1 1733365120 KNBWQLADEYLKNF-DGCLKSJQSA-N 320.393 -0.237 30 20 DBED C=CCNC(=O)CN1CCC(N(C)C(=O)[C@@H]2CCNC2=O)CC1 1752304943 XBFQNTYKJIORIF-CYBMUJFWSA-N 322.409 -0.653 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CCCN(Cc2nnnn2C)C1 1752320449 BGGYNIFSWQPELK-BXUZGUMPSA-N 308.386 -0.382 30 20 DBED C#CCCCC(=O)NCCN1CCN(CC(=O)NCC#C)CC1 1752364730 CDOJPPFAJPLVFM-UHFFFAOYSA-N 318.421 -0.727 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)N(C)[C@H]1CCN(CC(N)=O)C1 1753445466 MPIXZKDRLBBWTC-QWHCGFSZSA-N 310.398 -0.525 30 20 DBED C#CCNC(=O)CN1CC[C@H](N(CC)C(=O)Cc2ncc[nH]2)C1 1753459705 RUBRSQBFOSUENT-ZDUSSCGKSA-N 317.393 -0.376 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCO[C@@H](CNC(=O)C#CC(C)C)C1 1753648828 NWODACHKYAZSQL-CABCVRRESA-N 319.405 -0.399 30 20 DBED C[C@H](CNCC(=O)NCC#N)NC(=O)c1cnn2c1OCCC2 1754233028 UGMGPTROCZLCJJ-SNVBAGLBSA-N 320.353 -0.987 30 20 DBED C=CCNC(=O)CN(C)C[C@@H](C)NC(=O)c1cn(C)c(=O)n1C 1754335952 IMRYYRQTLSJFQU-LLVKDONJSA-N 323.397 -0.924 30 20 DBED C#CCCN[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C[C@H]1CC 1754466343 DGYHRDGQNLTJDZ-CHWSQXEVSA-N 320.393 -0.222 30 20 DBED C#CCOCCC(=O)NC[C@]1(O)CCN(Cc2ncccn2)C1 1754751604 PEOOTKPELMOEIL-MRXNPFEDSA-N 318.377 -0.431 30 20 DBED C#CCN[C@H](C)[C@@H]1CCN(C(=O)c2cn(CCOC)nn2)C1 1754789666 BVTFPZINTLXBHJ-CHWSQXEVSA-N 305.382 -0.002 30 20 DBED C=CCCN[C@@H](CO)CNC(=O)c1ccc(S(N)(=O)=O)o1 1755644321 UHMIOCOACNWGPE-SECBINFHSA-N 317.367 -0.817 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC2(CCCN(C(=O)CC(N)=O)C2)C1 1756235856 HDEYEPBVKOHWCL-LBPRGKRZSA-N 321.377 -0.649 30 20 DBED O=C(C#CC1CC1)N[C@H]1CC[C@H](CNC(=O)Cn2cnnn2)C1 1756640056 NTNBJDONKHKERB-STQMWFEESA-N 316.365 -0.512 30 20 DBED C=CCOCC(=O)N(C)C[C@H](O)CNC(=O)c1cnc(C)n1C 1756655927 KOSKAAGXXIVDAK-GFCCVEGCSA-N 324.381 -0.520 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C[C@H](O)CNC(=O)c1ccccn1 1756663407 PDMIRACGDJYOBM-CHWSQXEVSA-N 319.361 -0.331 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[C@@H]2C(F)F)C1 1756992757 CEAJYPCDGXQWNU-UKKRHICBSA-N 318.320 -0.222 30 20 DBED CO[C@H]1C[C@@H](C(=O)O)CN(S(=O)(=O)N(C)CCC#N)C1 1777159708 OXYRLZCKUGXMNY-ZJUUUORDSA-N 305.356 -0.502 30 20 DBED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)C3(F)CC3)C2)C1 1782912589 KZMHVMBGIMAJOM-AWEZNQCLSA-N 324.308 -0.594 30 20 DBED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)C(C)C)[C@H]2C1 1784187810 KUQBTVPQWXKYAQ-PWNZVWSESA-N 308.378 -0.384 30 20 DBED C[C@H](CC(N)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC#N)C2 1793428836 BDVVPMUXNXPSMP-NJBDSQKTSA-N 322.365 -0.999 30 20 DBED C[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)S)C2 1800755697 LVZZSOJPRMGQLA-HWUMTFDVSA-N 302.396 -0.725 30 20 DBED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@@H](O)CC)C2 1841598145 PPRMLYGKEVEVPR-OLZOCXBDSA-N 308.378 -0.001 30 20 DBED CC(C)N1C[C@@H](Nc2c(C#N)c(=O)n(C)c(=O)n2C)CC1=O 60362891 SKNWQBWNGHYYJF-VIFPVBQESA-N 305.338 -0.623 30 20 DBED Cc1nc(S(=O)(=O)NCCC(=O)N[C@@H](C)CC#N)cn1C 171284748 DXRZLXZVVWXDCJ-VIFPVBQESA-N 313.383 -0.185 30 20 DBED C#CCNC(=O)[C@@H](C)Nc1cnn(CC(=O)NCCOC)c1 186337808 ZZARKPQUOHLDSG-LLVKDONJSA-N 307.354 -0.805 30 20 DBED CCN1CCN(CCNS(=O)(=O)CC2(C#N)CC2)CC1 193989931 NGJAGJSPWLVNGW-UHFFFAOYSA-N 300.428 -0.153 30 20 DBED N#Cc1ncccc1S(=O)(=O)NC[C@H]1CCCS1(=O)=O 236408839 LVWZDBRMNBAEAW-SECBINFHSA-N 315.376 -0.191 30 20 DBED Cn1c(NC[C@@H](CO)[C@@H]2CCOC2)c(C#N)c(=O)n(C)c1=O 281143111 ZQVFODZEZYTODK-ZJUUUORDSA-N 308.338 -0.987 30 20 DBED CC[C@]1(C)NC(=O)N(NS(=O)(=O)N(C)[C@@H](C)CC#N)C1=O 289229117 RLYWHVFRDLOTSP-KWQFWETISA-N 317.371 -0.310 30 20 DBED C=C[C@@H](CO)NC(=O)Cn1cc(Br)c(O)nc1=O 290662037 RWAWUVZMQPSZQF-LURJTMIESA-N 318.127 -0.626 30 20 DBED CN1CC[C@H](NC(=O)C(=O)Nc2ccc(C#N)c(F)c2)C1=O 290717051 HBAMNZFHWPHCBR-NSHDSACASA-N 304.281 -0.017 30 20 DBED COC(=O)c1ccc(C(=O)NCCn2cnc(C#N)n2)n1C 293703912 RUEJKYBGPYZATR-UHFFFAOYSA-N 302.294 -0.295 30 20 DBED C[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)CC(=O)N1 296162643 LIERXIIGSNHPID-MRVPVSSYSA-N 304.281 -0.017 30 20 DBED C[C@H](O)CN1CCN(/C(O)=N/C[C@@H]2CC(=O)N(C3CC3)C2)CC1 329520364 FINICQIYCGWMDO-STQMWFEESA-N 324.425 -0.090 30 20 DBED CCN1CCN(CCNS(=O)(=O)N(C)C[C@@H](C)C#N)CC1 330373383 BGKPSVVUMDVDNL-ZDUSSCGKSA-N 317.459 -0.450 30 20 DBED COC[C@H](C)/N=C(/O)NC(=O)CN(C)[C@H]1CCS(=O)(=O)C1 330419431 FVXOXTCBSUEZBZ-UWVGGRQHSA-N 321.399 -0.830 30 20 DBED COC[C@H](C)/N=C(/O)NC(=O)CN1CCSC[C@H]1CO 330866570 ZOJOLKWDTZXFKC-VHSXEESVSA-N 305.400 -0.539 30 20 DBED C/N=C(/O)NC(=O)CCN1CCC([C@@H](O)C(=O)OC)CC1 331262258 DAYVKYVYVCHHJB-LLVKDONJSA-N 301.343 -0.718 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)CCCS(=O)(=O)N(C)C 332471119 LOKVFWMBVQDWOA-SNVBAGLBSA-N 311.429 -0.311 30 20 DBED CN(C)CC1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 336938326 HNTXECAREITRQQ-ZDUSSCGKSA-N 316.427 -0.271 30 20 DBED N#C[C@H]1CN(S(=O)(=O)N2C[C@H]3[C@H]4CC[C@@H](O4)[C@H]3C2)CCO1 337084988 CZECIMXGBBOGGJ-KIJLLGNVSA-N 313.379 -0.435 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCC2CCC2)CC1 340366262 NNEWCDIXLCCOQD-UHFFFAOYSA-N 322.409 -0.651 30 20 DBED C=CCNC(=O)CNC(=O)NC[C@H]1CC[C@@H](C(=O)N(C)C)O1 346811566 ROJYKPCDLWPTRJ-MNOVXSKESA-N 312.370 -0.776 30 20 DBED CN1C(=O)C(=O)N(CC(=O)Nc2ccc(C#N)c(C#N)c2)C1=O 349997592 YQPFTQQBPSBORZ-UHFFFAOYSA-N 311.257 -0.211 30 20 DBED N#CCNC(=O)CNS(=O)(=O)CCc1ccc2c(c1)CCO2 352510347 IFHBWLUOQGCUBN-UHFFFAOYSA-N 323.374 -0.277 30 20 DBED C=C(C)CS(=O)(=O)NCCNS(=O)(=O)c1cccnc1 357454356 GGTCPPBFDQLZFZ-UHFFFAOYSA-N 319.408 -0.145 30 20 DBED C=CCNc1nnc(S(=O)(=O)CC(=O)N2CCCC2)s1 358745886 ZGHITLXRAUKYAL-UHFFFAOYSA-N 316.408 0.532 30 20 DBED CN1CC[C@@H](C(=O)NS(=O)(=O)c2cncc(C#N)c2)CC1=O 408489710 VOXJOAKKPRQJKX-SNVBAGLBSA-N 322.346 -0.373 30 20 DBED C=CCCn1cc(C(=O)N2CCN(C(=O)[C@@H](C)O)CC2)nn1 424744427 IYFWRGAYUHXCKL-LLVKDONJSA-N 307.354 -0.481 30 20 DBED C#CCN1CCN(C(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)CC1 490799138 BQMMXVYOKKSYBK-MRXNPFEDSA-N 318.377 -0.516 30 20 DBED C#CCN1CCN(C(=O)CN2CC[C@H](C)C[C@H]2C(N)=O)CC1 491047755 VSPDWTCTRHEHII-KBPBESRZSA-N 306.410 -0.650 30 20 DBED C#CCN(C)CCCNC(=O)N1CCN(C)C[C@H](C(=O)OC)C1 491735185 JSBBQCFHCKYKTF-AWEZNQCLSA-N 324.425 -0.312 30 20 DBED N#CCNC(=O)CNS(=O)(=O)c1csc(C(=O)O)c1 505859552 YHNUTSHLDIPBRJ-UHFFFAOYSA-N 303.321 -0.636 30 20 DBED C[C@@](O)(CNS(=O)(=O)CC1(C#N)CC1)CN1CCOCC1 546621178 DVQQLMAQWLQBEQ-GFCCVEGCSA-N 317.411 -0.707 30 20 DBED C[C@H]1CN(CCNS(=O)(=O)N(C)[C@H](C)CC#N)CCO1 548983068 PBHLUYIFJMHYTK-NEPJUHHUSA-N 304.416 -0.225 30 20 DBED Cn1c(=O)c2cc(C(=O)NCC3(C#N)CC3)n(C)c2n(C)c1=O 555862716 KJJJCGSAZDBESU-UHFFFAOYSA-N 315.333 -0.391 30 20 DBED N#CCCS(=O)(=O)N1CCC[C@@](O)(C(=O)N2CCCC2)C1 565234621 IEYXGFTUEFOGLX-ZDUSSCGKSA-N 315.395 -0.321 30 20 DBED CN1C(=O)C[C@H](NS(=O)(=O)c2cccc(CC#N)c2)C1=O 588133045 VFQDVRYCJPGTFM-NSHDSACASA-N 307.331 -0.212 30 20 DBED C=C[C@@](C)(O)C(=O)N1CCC(C(=O)NCC(=O)OCC)CC1 597413709 IPZVALMLQHYQEU-OAHLLOKOSA-N 312.366 -0.159 30 20 DBED CC(=O)NCC(=O)NCC(=O)N1CCc2cc(C#N)ccc21 597774584 ATNRPBFTGXEFPA-UHFFFAOYSA-N 300.318 -0.300 30 20 DBED CN(C)S(=O)(=O)N1CCN(C[C@H](O)CC(C)(C)C#N)CC1 598589693 PXAYQUWTYKKSCK-GFCCVEGCSA-N 318.443 -0.289 30 20 DBED CNS(=O)(=O)CCN(CCC#N)CCN1CCOCC1 598595007 KVRAFAVMRVVUPT-UHFFFAOYSA-N 304.416 -0.917 30 20 DBED CO[C@@H]1CCC[C@@H]1CNC(=O)C(=O)N1CCN(CCC#N)CC1 602245465 NKZLZNBDLBZGRH-ZIAGYGMSSA-N 322.409 -0.024 30 20 DBED C=C[C@](C)(O)C(=O)N[C@@H]1CC(=O)N(CCN(C)CCOC)C1 622055809 WAJDEWUFRIJIQH-DOMZBBRYSA-N 313.398 -0.781 30 20 DBED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(OC)nc1OC 679086120 HIEWACJHFBPHIX-UHFFFAOYSA-N 322.321 -0.544 30 20 DBED C#CC[C@H](CO)NC(=O)[C@@H](CCSC)NS(=O)(=O)CC 717769706 KQHLDCVSFQRABI-GHMZBOCLSA-N 322.452 -0.452 30 20 DBED C#CCOCCNC(=O)[C@@H]1CCC[C@H]1C(=O)NCCOCC#C 753520078 DXUNYMRJBRRDSR-HUUCEWRRSA-N 320.389 -0.065 30 20 DBED N#Cc1c(N2CC[C@@H](NC(N)=O)C2)cccc1S(N)(=O)=O 755025627 CCNBMUQMDMYPMH-MRVPVSSYSA-N 309.351 -0.547 30 20 DBED O=C(C#Cc1ccc2c(c1)OCO2)N1CC[C@H](CO)[C@H](O)C1 763265826 KGAKBPDWONGAFP-CHWSQXEVSA-N 303.314 -0.032 30 20 DBED C#CCC(C)(C)C(=O)OCC(=O)c1c(N)n(C)c(=O)n(C)c1=O 767642961 DVYFVIFTJAPKSM-UHFFFAOYSA-N 321.333 -0.558 30 20 DBED C#CCNC(=O)CN1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 775850585 OHUQTQOCKMOCGT-LBPRGKRZSA-N 311.382 -0.039 30 20 DBED C#CCC[C@@H](O)CNC(=O)[C@@H]1CCCN(S(=O)(=O)CC)C1 799080255 WDYKGCLXWRTHPC-CHWSQXEVSA-N 316.423 -0.061 30 20 DBED Cn1c(C=NN[C@@H]2CCSC2)nc2c1c(O)nc(=O)n2C 807999341 KNMUPKXHLHVAFX-SSDOTTSWSA-N 308.367 -0.198 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CC[C@]2(CCOC2)C1)[C@@H]1CCCO1 809313219 RXVGAYFDLXKKSN-XEZPLFJOSA-N 306.362 -0.078 30 20 DBED C=CCC1(S(=O)(=O)NC(=O)CN(C)C(=O)COC)CC1 810987875 CQKOTEIVWOXOED-UHFFFAOYSA-N 304.368 -0.354 30 20 DBED C[C@H](OC(=O)CCn1ncn(C)c1=O)C(=O)N(C)CCC#N 815270196 DUPXPNJRZVZCLM-JTQLQIEISA-N 309.326 -0.724 30 20 DBED C#CC[C@@H](CO)NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 816673333 WTUBALWDVVCGAC-NSHDSACASA-N 305.290 -0.175 30 20 DBED C#CCN1CCN(C(=O)Cn2cc(C(=O)O)ccc2=O)CC1 825618868 GDYPBUHMJWQVES-UHFFFAOYSA-N 303.318 -0.676 30 20 DBED C#CCN1CCC[C@H]1C(=O)NN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C=C[C@H]2O1 828680397 KTWSGOMOLQLKEY-ZOLYEBIHSA-N 315.329 -0.946 30 20 DBED C=CCN(CC(=O)OCC)C(=O)c1cnn(C[C@H](O)CO)c1 831216124 HFSKVSCNUIQDEE-LBPRGKRZSA-N 311.338 -0.572 30 20 DBED CC#CC[C@@H](CO)NC(=O)C(F)(F)C(=O)N1CCOCC1 843314825 KXCJUUSQBRMAIM-JTQLQIEISA-N 304.293 -0.629 30 20 DBED C=CCN(C(=O)CO[C@@H]1CCCNC1)[C@H]1CCS(=O)(=O)C1 843397891 SNKOXUGIJIAFTP-QWHCGFSZSA-N 316.423 -0.043 30 20 DBED N#CCOc1ccc(CNC(=O)[C@H]2CCS(=O)(=O)N2)cc1 845418266 BVMTZTXZFFPNQK-GFCCVEGCSA-N 309.347 -0.103 30 20 DBED C#C[C@H](CC)NC(=O)N1CCN(CC(=O)NCCOC)CC1 854072353 CJJHCIRUCMEXCR-CYBMUJFWSA-N 310.398 -0.512 30 20 DBED C#C[C@H](NC(=O)C(=O)N1C[C@@H]2CCC[C@@]2(N)C1)[C@H]1CCCO1 857102864 UMXKKKKFRVIMLY-BCUIYNNISA-N 305.378 -0.377 30 20 DBED CC(C)(C)OC(=O)N[C@H](CO)C(=O)N1CC[C@](O)(CC#N)C1 862098894 HUMWZTOWDJMOKP-QMTHXVAHSA-N 313.354 -0.251 30 20 DBED Cc1ncccc1CCNS(=O)(=O)N1CCO[C@@H](C#N)C1 908357087 PRAUFUOJQTVGGM-ZDUSSCGKSA-N 310.379 -0.009 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](C)[C@H](O)CC)CC1 913789146 YIJKPNKPSRDUMB-NWDGAFQWSA-N 317.411 -0.995 30 20 DBED O=C(NC[C@H]1CN(C(=O)C#CC2CC2)CCO1)c1cc[nH]n1 944493127 UIQMKDLOWDSOCR-LBPRGKRZSA-N 302.334 -0.220 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)c2cncnc2)C1 944558807 JTZAYDHRJFFAJE-PWSUYJOCSA-N 303.322 -0.407 30 20 DBED O=C(NC[C@@H]1CN(C(=O)C#CC2CC2)CCO1)c1cnn[nH]1 944669891 LYUADWHYLZLYLK-LLVKDONJSA-N 303.322 -0.825 30 20 DBED O=C1NC[C@H](C(=O)NC2CCN(C(=O)C#CC3CC3)CC2)N1 946696570 UPXVYDPBTLHPNO-GFCCVEGCSA-N 304.350 -0.812 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1ncn(C)n1 949767998 CQBNSASTBUULQC-TUAOUCFPSA-N 319.365 -0.263 30 20 DBED CCN1C[C@@H](C(=O)NC[C@@H]2CCN2C(=O)C#CC2CC2)CC1=O 950403968 JXBDSBALGIXQTM-KBPBESRZSA-N 317.389 -0.015 30 20 DBED CC(=O)N1CC(C(=O)N[C@H]2CCCN(C(=O)C#CC3CC3)C2)C1 950757895 AEJGBLMATMWVJE-HNNXBMFYSA-N 317.389 -0.015 30 20 DBED CC(C)c1nnnn1CC(=O)N(C)C1CN(C(=O)[C@@H](C)C#N)C1 954377211 ZGEYCQVDQFWDPY-JTQLQIEISA-N 319.369 -0.375 30 20 DBED C#Cc1cncc(C(=O)N2CC(N(C)C(=O)Cn3cncn3)C2)c1 955375935 MMCSKIPCVJWAMM-UHFFFAOYSA-N 324.344 -0.363 30 20 DBED Cn1nc2c(c1C(=O)NC[C@H]1CN(CC#N)C[C@@H]1O)CCCC2 958100398 ADJRRNKJISYQQI-FZMZJTMJSA-N 317.393 -0.155 30 20 DBED N#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cnn3c2OCCC3)C1 958220094 SKTOBVBOFDBVSX-CMPLNLGQSA-N 305.338 -0.788 30 20 DBED C#Cc1ccc(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)C(F)F)C2)cn1 958374204 XDJAJZRZYZMKSY-RYUDHWBXSA-N 323.299 -0.028 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2CN(CCOC)C[C@@H]2O)nn1 958472540 VMBVZVMEVHOSIQ-AAEUAGOBSA-N 309.370 -0.867 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H]2[C@@H]3CN(CCn4cncn4)C[C@@H]32)c1 958505642 ZSTZICMYASNVDC-IMRBUKKESA-N 311.349 -0.162 30 20 DBED CC#CCN1C[C@@H](O)[C@H](CNC(=O)c2cnc(OC)nc2)C1 958561732 APNXRIJXEIBWQE-CHWSQXEVSA-N 304.350 -0.469 30 20 DBED CC#CCN1C[C@H](CNC(=O)c2noc3c2COCC3)[C@@H](O)C1 958724619 RHHUDRQCGQZZPM-AAEUAGOBSA-N 319.361 -0.207 30 20 DBED C#Cc1ccc(C(=O)N[C@@H](C)[C@H]2CCN(C(=O)C(N)=O)C2)cn1 959259951 DZMISAHTKZUVMI-JQWIXIFHSA-N 314.345 -0.485 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cnn(C)c1 960000183 CQECUHYBNWSVRG-WCFLWFBJSA-N 317.349 -0.368 30 20 DBED CC#CCN1C[C@H]2C(NC(=O)[C@@H]3CCc4nnnn4CC3)[C@@H]2C1 961846575 MPLCQZCPMDDWBV-JHJVBQTASA-N 314.393 -0.305 30 20 DBED C=CCNC1CCC(N(C)C(=O)c2cn(CC(N)=O)nn2)CC1 964438104 SRFXIRUSGKJJCT-UHFFFAOYSA-N 320.397 -0.078 30 20 DBED C=CCN1CC[C@@H](C)[C@@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)C1 968382817 WBVTYSJOEHCHNZ-MNOVXSKESA-N 322.365 -0.580 30 20 DBED C#CCN1CC[C@@H](C)[C@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)C1 968614812 NTOFPWXZOJWCIK-VXGBXAGGSA-N 320.393 -0.223 30 20 DBED CC(=O)N1CC(C(=O)N2[C@H]3CC[C@H]2CN(C(=O)[C@@H](C)C#N)C3)C1 968908547 RWNSMGNEGTVXSY-BPNCWPANSA-N 318.377 -0.174 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCN(C)C1=O 969662451 XUMFFGVLRSMHCI-FVCCEPFGSA-N 318.377 -0.174 30 20 DBED CC(C)(C(N)=O)C(=O)N1CC[C@@H]2CN(C(=O)C#CC3CC3)[C@@H]2C1 972085784 BRCXUYKZMMTXLV-CHWSQXEVSA-N 317.389 -0.029 30 20 DBED CN(CC#N)C1CCN(C(=O)CN2CCCS2(=O)=O)CC1 985459762 MNHLCLDCYQGPEN-UHFFFAOYSA-N 314.411 -0.532 30 20 DBED C#CCN[C@@H]1CCN(C(=O)c2nc(O)nc(O)c2OC)[C@@H]1C 987347797 BHVWCQAZYHWCKT-RKDXNWHRSA-N 306.322 -0.278 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)c2cnn(C)c2)C1 990198968 FIJDZBJXDXIJTA-OLZOCXBDSA-N 304.350 -0.048 30 20 DBED CCN1CCO[C@@H](C(=O)NC2CN(C(=O)C#CC3CC3)C2)C1 992611409 VGCOKHLESFFTHQ-CQSZACIVSA-N 305.378 -0.553 30 20 DBED C#CCN[C@@H]1CCC[C@@H]2CN(C(=O)c3nnc(O)nc3O)C[C@@H]21 992747676 XHNQAPZFEBQILZ-OUAUKWLOSA-N 317.349 -0.254 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CCN(C)C2)C1 994756247 WDMPUWXAMGTBEM-ZFWWWQNUSA-N 318.421 -0.637 30 20 DBED CCC(=O)N1CC[C@H](C(=O)NC2CN(C(=O)[C@@H](C)C#N)C2)C1 999685205 JNIGBNNFUAXCHB-QWRGUYRKSA-N 306.366 -0.268 30 20 DBED C#CCCN1CCC(CNC(=O)c2cnc(O)n(C)c2=O)CC1 1001712375 OCKFGOXCJQQBCR-UHFFFAOYSA-N 318.377 -0.049 30 20 DBED CC#CCN1CCC(NC(=O)[C@H]2CN(C(C)=O)CCO2)CC1 1004076618 WKPCXJHTHLORNS-OAHLLOKOSA-N 307.394 -0.162 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](NC(=O)CN2CCOCC2)C(C)(C)C1 1008053191 KQBOAHOFYXDJHV-OLZOCXBDSA-N 322.409 -0.169 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(C(=O)c2[nH]nnc2C)CC1 1011876959 RHGDZCQLCZDENI-NEPJUHHUSA-N 319.365 -0.011 30 20 DBED C=CCCn1cc(C(=O)N2C[C@@H](NC(=O)C(N)=O)C[C@H]2C)nn1 1012727575 IMXLKXHAPZCZHY-ZJUUUORDSA-N 320.353 -0.941 30 20 DBED C[C@@H]1[C@H](NC(=O)c2c[nH]c(C#N)c2)CCCN1C(=O)C(N)=O 1014884308 NAGJUOUPGFHYRU-LDYMZIIASA-N 303.322 -0.519 30 20 DBED C#CCOc1ncccc1C(=O)N[C@H]1CCN(CC(=O)NC)C1 1016017861 YRBCMGQUAXCYFT-LBPRGKRZSA-N 316.361 -0.356 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@]2(CCN(C(=O)C(N)=O)C2)O1 1017833609 YIWCWIKYLIWKCU-BDJLRTHQSA-N 319.361 -0.897 30 20 DBED C=CCN1CC[C@@H](N[C@H]2CCN(C(=O)Cn3nccn3)C2)C1=O 1018914265 BOYHXHCOLKXTOF-QWHCGFSZSA-N 318.381 -0.745 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@H](NCc2nc(O)n[nH]2)C1 1018985777 FLBXEVMXCWDBHJ-RYUDHWBXSA-N 318.381 -0.702 30 20 DBED C=CCN1CC[C@@H](N[C@H]2CCN(C(=O)Cn3cncn3)C2)C1=O 1019745226 HMNIDEVRAATTOI-QWHCGFSZSA-N 318.381 -0.745 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C2CCC2)C[C@H]1O 1024358801 WRNGSUSYQQIZKC-QLFBSQMISA-N 319.405 -0.428 30 20 DBED N#Cc1ccccc1CN1CC(NC(=O)[C@@H]2COC(=O)N2)C1 1030269063 JIZOYEZATUFWPC-ZDUSSCGKSA-N 300.318 -0.033 30 20 DBED C[C@@H]1CN(C(=O)Cn2ccc(O)nc2=O)CC[C@H]1NCC#N 1036102664 WZDRKHDXNDGOLH-GHMZBOCLSA-N 305.338 -0.701 30 20 DBED N#CCN1CC[C@@H]1CNC(=O)c1cn(C2CCOCC2)nn1 1038897097 FPPICGRDQBWONF-GFCCVEGCSA-N 304.354 -0.043 30 20 DBED Cc1cc(C(=O)N2CC[C@](O)(CNC(=O)C#CC3CC3)C2)n[nH]1 1039676992 CGVZMYKORCOTTG-INIZCTEOSA-N 316.361 -0.175 30 20 DBED O=C(C#CC1CC1)NC[C@@]1(O)CCN(C(=O)[C@]2(F)CCOC2)C1 1039684920 GFNHTTOMHFQVJN-HOTGVXAUSA-N 324.352 -0.392 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)C2CCN(C)CC2)C1 1040211665 JDJHHLMDBVFUGQ-MLGOLLRUSA-N 322.409 -0.433 30 20 DBED C#CCOCCC(=O)N1CC[C@](O)(CNC(=O)[C@@H](C)C#N)C1 1040759234 GGHBFPUARCLMPN-WFASDCNBSA-N 307.350 -0.734 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)c2cc(C)no2)C1 1041437160 VQUNDZYYMIMOAC-LLVKDONJSA-N 321.333 -0.676 30 20 DBED N#CCSCC(=O)NCC1(O)CN(C(=O)c2cncnc2)C1 1041569293 SFBMTNFYCFACFF-UHFFFAOYSA-N 321.362 -0.964 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)C[C@H]2CCN(C)C2=O)C1 1041963610 VLLBVBVDVRNTCN-GFCCVEGCSA-N 323.393 -0.490 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)c2nc(C)c[nH]2)C1 1042052294 IFTRJEWOWIGQSH-UHFFFAOYSA-N 308.338 -0.776 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)c2ccns2)C1 1043325041 DTTABSXKNOGGIZ-UHFFFAOYSA-N 311.363 -0.351 30 20 DBED Cc1cn2nc(C(=O)N(C)C3CN(CC#N)C3)cc2c(=O)[nH]1 1043469329 IONIHBWDQWUXRE-UHFFFAOYSA-N 300.322 -0.389 30 20 DBED C=CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)c2cnco2)C1 1043578177 YSLBVZZVYVCMDD-SNVBAGLBSA-N 309.322 -0.431 30 20 DBED Cn1cnc(C(=O)N[C@@H]2CN(c3cnc(C#N)cn3)C[C@@H]2O)c1 1043911856 VCGWSXHGSROLRT-PWSUYJOCSA-N 313.321 -0.939 30 20 DBED CC1=C(C(=O)N2CC(O)(CNC(=O)[C@H](C)C#N)C2)CCCO1 1045540977 NWUKSSFEMSNBDZ-SNVBAGLBSA-N 307.350 -0.080 30 20 DBED N#CCN1CC[C@@H](N2CCN(C(=O)c3ccc(O)nn3)CC2)C1 1045998655 BZKFSLKQCDFJHH-GFCCVEGCSA-N 316.365 -0.462 30 20 DBED CN(C(=O)c1ccnc2[nH]cnc12)[C@H]1CN(CC#N)C[C@@H]1O 1047396930 GXTXETVYLLEWRW-QWRGUYRKSA-N 300.322 -0.401 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCc2cnc[nH]2)C1 1049000494 RVDQGCSJKJFLBO-WXHSDQCUSA-N 319.365 -0.468 30 20 DBED C=CCN1CCOC[C@H]1CNC(=O)c1cnc(O)n(C)c1=O 1051060255 GGUFOYWOSHUEOD-SNVBAGLBSA-N 308.338 -0.898 30 20 DBED C=CCCN1CCOC[C@@H]1CNC(=O)[C@H]1CCCS1(=O)=O 1051254353 HCHRCBCDJQZKKJ-QWHCGFSZSA-N 316.423 -0.043 30 20 DBED C#CCCN1CCOC[C@H]1CNC(=O)[C@H]1CCCN1C(C)=O 1051262561 HFUJTDVRXPZSKY-HUUCEWRRSA-N 307.394 -0.162 30 20 DBED CC(=O)N1CC[C@H](n2cc(CN=c3cc[nH]c(C#N)n3)nn2)C1 1051513671 ICQAEJSCKHRALQ-LBPRGKRZSA-N 312.337 -0.233 30 20 DBED CC#CCN1CCN([C@@H]2CCN(C(=O)[C@@H]3COC(=O)N3)C2)CC1 1052018262 GGOKNGCMGAHIIY-KGLIPLIRSA-N 320.393 -0.663 30 20 DBED C#CCN1CCN([C@H]2CCN(C(=O)Cc3n[nH]c(C)n3)C2)CC1 1052024609 IBLGHVOLMNIAEB-AWEZNQCLSA-N 316.409 -0.493 30 20 DBED C=CCN1CCN([C@@H]2CCN(C(=O)[C@@H]3CCNC3=O)C2)CC1 1052060174 YTUYIDWDBGOKED-ZIAGYGMSSA-N 306.410 -0.473 30 20 DBED N#CCN1CC2(C1)CN(C(=O)c1cnn3cccnc13)CCO2 1053369819 ILIUXGYDKYZUPY-UHFFFAOYSA-N 312.333 -0.220 30 20 DBED Cc1nnc(CC(=O)N2CCN(c3nccnc3C#N)CC2)o1 1055786506 LDPROFRARRKBAW-UHFFFAOYSA-N 313.321 -0.069 30 20 DBED C#CCCCC(=O)N[C@]1(CO)CCCN(C(=O)CNC(C)=O)C1 1055909659 WJGCIPLFBNHYRS-MRXNPFEDSA-N 323.393 -0.604 30 20 DBED C=CCC(C)(C)C(=O)N1CCC[C@@](CO)(NC(=O)C(N)=O)C1 1056088296 CBXZRJTWCZMBOJ-OAHLLOKOSA-N 311.382 -0.456 30 20 DBED Cn1cnc(C(=O)NC2[C@H]3CN(c4ccnc(C#N)n4)C[C@H]23)c1 1056185632 HWZNQBUCSLFITK-UWVGGRQHSA-N 309.333 -0.054 30 20 DBED CCn1cc(C(=O)N[C@H]2[C@@H]3CN(c4ccnc(C#N)n4)C[C@@H]32)nn1 1056283264 PDVVDUGSVHTZEE-MSRIBSCDSA-N 324.348 -0.176 30 20 DBED N#Cc1cnc(N[C@@H]2CCN(C(=O)[C@@H]3CCC(=O)NC3)C2)cn1 1056818039 RVNNSYWMDMPTNM-GHMZBOCLSA-N 314.349 -0.113 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)c1cnc(C)[nH]1 1057205181 CCFJXXGWBRBSBF-UHFFFAOYSA-N 310.354 -0.529 30 20 DBED Cc1nnc(CC(=O)N(CCO)CCNC(=O)[C@H](C)C#N)o1 1057495483 LWUKKROGEQKAOA-SECBINFHSA-N 309.326 -0.983 30 20 DBED C=C[C@@H](C)[C@H](C)C(=O)NCCN(CCO)C(=O)c1cn(C)nn1 1057495840 SUYRZNUWPJMYGJ-NEPJUHHUSA-N 323.397 -0.176 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)C1=CCOCC1 1057517623 YYIWMLQDFBXFAT-UHFFFAOYSA-N 308.378 -0.070 30 20 DBED CCn1nnc(C)c1C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N 1057827018 VURCMSLHTRPTPS-JTQLQIEISA-N 322.369 -0.683 30 20 DBED C=CC(C)(C)C(=O)N(CCO)CCNC(=O)CNC(=O)CC 1058302033 BYLPWZDZHFJYJT-UHFFFAOYSA-N 313.398 -0.338 30 20 DBED C=CCC(C)(C)C(=O)NCCN(CCO)C(=O)c1nnn(C)n1 1058423259 BLEIXDMENXOMQA-UHFFFAOYSA-N 324.385 -0.637 30 20 DBED CN(C[C@H]1CCCN(C(=O)C(N)=O)C1)c1ccc(C#N)nn1 1058701810 ABXUPRGXWIUVDW-SNVBAGLBSA-N 302.338 -0.492 30 20 DBED N#Cc1ccc(N[C@H]2CCN(C(=O)CN3CCCC3=O)C2)nn1 1058837303 YZAVPOAWXHWJIW-LBPRGKRZSA-N 314.349 -0.017 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](CCNC(=O)Cn2ncnn2)C1 1060285729 CWGXBVCPMAHWIL-QWRGUYRKSA-N 305.342 -0.812 30 20 DBED N#Cc1cncc(N2CCC[C@H]2CNC(=O)[C@H]2COC(=O)N2)n1 1061353415 JNRJPVCLBBSUJK-WDEREUQCSA-N 316.321 -0.458 30 20 DBED N#Cc1cncc(N2CC[C@H](CNC(=O)[C@@H]3COCCO3)C2)n1 1061524475 FBPPFXDTNHFASJ-YPMHNXCESA-N 317.349 -0.294 30 20 DBED CC(C)[C@@H](O)C(=O)NC[C@H]1COCCN1C(=O)C#CC1CC1 1061553343 ZQZAOCRTAILJCE-DZGCQCFKSA-N 308.378 -0.240 30 20 DBED C=CCOCC(=O)N1CCOC[C@@H]1CNC(=O)c1nc(C)c[nH]1 1061618982 MLQFYMLPKVRGCH-LBPRGKRZSA-N 322.365 -0.122 30 20 DBED C=CCCCC(=O)N1CCOC[C@@H]1CNC(=O)Cn1nccn1 1061620118 ZXRANQVHIJTLKN-ZDUSSCGKSA-N 321.381 -0.022 30 20 DBED C=CCO[C@@H](C)C(=O)NC[C@@H]1COCCN1C(=O)c1nc[nH]n1 1061668556 RYHFXBQGNPJQPX-WDEREUQCSA-N 323.353 -0.647 30 20 DBED CC(C)C#CC(=O)N1CCOC[C@@H]1CNC(=O)Cn1cncn1 1061917810 PPKCLXGFFOARSF-ZDUSSCGKSA-N 319.365 -0.719 30 20 DBED CS(=O)(=O)CC(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(C#N)n1 1062447567 HMSRBNJTGKPGOY-UWVGGRQHSA-N 321.362 -0.818 30 20 DBED CN(C(=O)c1cnnn1C)[C@H]1CCN(c2ccc(C#N)nn2)C1 1062928618 MMDVTJYPRIILJZ-NSHDSACASA-N 312.337 -0.172 30 20 DBED O=C(C#CC1CC1)NCC1(NC(=O)CCn2cnnn2)CCC1 1062977334 LISVEAJWVCMUBQ-UHFFFAOYSA-N 316.365 -0.368 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCO[C@@H](CNC(=O)c2cn[nH]c2)C1 1065096291 CBCVWFFTASFRFS-SWLSCSKDSA-N 322.365 -0.306 30 20 DBED C#CCO[C@H](C)C(=O)N1CCO[C@H](CNC(=O)c2cc[nH]n2)C1 1065151692 BLFDUJACIRIHKG-VXGBXAGGSA-N 320.349 -0.595 30 20 DBED CCN(CC)CC(=O)N1CCO[C@H](CNC(=O)[C@H](C)C#N)C1 1065177057 CYATUHJEEPYYFX-CHWSQXEVSA-N 310.398 -0.169 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)Cn2ccnc2)CCO1 1065306003 YJVFLJQBSKKASW-CYBMUJFWSA-N 322.365 -0.571 30 20 DBED N#Cc1cnc(NC[C@@H]2CN(C(=O)CC(N)=O)CCO2)c(F)c1 1066606376 CYHJWLUXDWJOQG-SNVBAGLBSA-N 321.312 -0.393 30 20 DBED Cc1nsc(N[C@@]2(CO)CCCN(C(=O)C(N)=O)C2)c1C#N 1066920478 RYKQEXZPPLBRKC-ZDUSSCGKSA-N 323.378 -0.426 30 20 DBED C=CCOCC(=O)N(C)CCCN(C)C(=O)Cn1nccn1 1067001026 JQDUFKZWQMHJFK-UHFFFAOYSA-N 309.370 -0.212 30 20 DBED C[C@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@@H]1Nc1ccc(C#N)nn1 1067187813 XZOXVBOFGRILIA-ONGXEEELSA-N 314.349 -0.127 30 20 DBED N#Cc1ccc(N2C[C@H](CNC(=O)c3cnccn3)[C@@H](O)C2)nc1 1067644928 GKXRWYUDNFKRPA-JSGCOSHPSA-N 324.344 -0.030 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@@H](CNC(=O)c3ncccn3)C2)cn1 1067677348 CAYXLNLFZRGYGB-SMDDNHRTSA-N 324.344 -0.030 30 20 DBED N#Cc1cccnc1N1C[C@@H](O)[C@@H](CNC(=O)c2cccnn2)C1 1067678987 XODYSBZPJHJWIV-GXTWGEPZSA-N 324.344 -0.030 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CCC2(CN(C(=O)c3cnn[nH]3)C2)O1 1068619881 DBUCNLDMJPJYPN-ZJUUUORDSA-N 318.337 -0.546 30 20 DBED COCC(=O)N[C@H]1COC2(C1)CN(C(=O)CSCC#N)C2 1068653083 YLOGRTFRIFPZLG-SNVBAGLBSA-N 313.379 -0.624 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1COC2(C1)CN(C(=O)Cn1cccn1)C2 1069002896 IPILPSIVPROHHY-VXGBXAGGSA-N 317.349 -0.471 30 20 DBED Cc1ncc(C(=O)N2CC3(C[C@@H](NC(=O)[C@@H](C)C#N)CO3)C2)[nH]1 1069003767 PLSMCJBQVYPGIN-GXSJLCMTSA-N 317.349 -0.023 30 20 DBED C[C@@H]1CC[C@H](C(=O)N[C@@H]2CN(CC#N)C[C@@H]2n2ccnn2)O1 1070035141 KZCUAATWBYHVSR-FVCCEPFGSA-N 304.354 -0.289 30 20 DBED C=CCOCC(=O)N1CCC[C@@H](NC(=O)[C@@H](COC)OC)C1 1070552596 ZFUUEBOIPYGMGD-CHWSQXEVSA-N 314.382 -0.042 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 1071002972 MXEXQFGQKWXQPB-KFWWJZLASA-N 319.405 -0.162 30 20 DBED CNC(=O)CC(=O)N1C[C@H](C)[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 1071967628 QAQHGLZUXXENEK-CABZTGNLSA-N 317.349 -0.401 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)c2[nH]nnc2C)C[C@@H]1C 1072492864 IFJGBRYFGKZWGX-GXSJLCMTSA-N 307.354 -0.108 30 20 DBED C=CCOCC(=O)N[C@H]1CN(C(=O)Cc2nc[nH]n2)C[C@H]1C 1072778499 RFTGIDGLQJLXIE-MNOVXSKESA-N 307.354 -0.487 30 20 DBED C#CCCN1CCCO[C@@H](CNC(=O)[C@H]2CCNC(=O)C2)C1 1073572100 RDMMITYWNYVDQB-KBPBESRZSA-N 307.394 -0.257 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CCN(C(=O)COC)C[C@H]1C 1073888786 ZGKCZZXOKXXMBK-NEPJUHHUSA-N 309.366 -0.875 30 20 DBED C#CCN1CCC(C(=O)NCC2(O)CCN(C(C)=O)CC2)CC1 1074388913 UJIVWLHQWGBLFT-UHFFFAOYSA-N 321.421 -0.179 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)Cc2ccc(C(N)=O)nc2)C1 1077231301 KNMVSCUFYMJOOR-ZIAGYGMSSA-N 318.377 -0.540 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)c2coc3c2C(=O)NCCC3)C1 1077422709 MSNYGSXADVHNNK-VXGBXAGGSA-N 319.361 -0.084 30 20 DBED CN1CCc2cc(C(=O)N[C@@H]3CN(CC#N)C[C@H]3O)ccc21 1077950995 VLWFWYVLKZQLPZ-UKRRQHHQSA-N 300.362 -0.023 30 20 DBED C[C@@H](C#N)C(=O)N1CCCO[C@@H](CNCc2ncnn2C)C1 1078357689 ACVITFSSXQXBMW-RYUDHWBXSA-N 306.370 -0.318 30 20 DBED C=C[C@@](C)(O)CC(=O)N(CC)C1CN(C(=O)[C@H]2CCC(=O)N2)C1 1079684187 AOVMDCHGSPDKDO-MLGOLLRUSA-N 323.393 -0.349 30 20 DBED CC(C)C#CC(=O)N1CCC(CO)(NC(=O)c2cnn[nH]2)CC1 1080909851 BMVPCGMACGBGAP-UHFFFAOYSA-N 319.365 -0.453 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H](O)[C@H](CNC(=O)/C(C)=C/C)C1 1081391188 JGRNTXUBLPYTTG-NRBOULDASA-N 321.377 -0.972 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)CN(C)C(C)=O)C[C@@H]1O 1081441171 FIQBJHHPMYXUNF-KGLIPLIRSA-N 323.393 -0.796 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(C(=O)C=C(C)C)C[C@@H]1O 1081486716 WEBRKFXTXNEYBG-KGLIPLIRSA-N 308.378 -0.072 30 20 DBED C#CCOCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cnco2)C1 1081624313 WARZYTIGUQCQES-NWDGAFQWSA-N 321.333 -0.736 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1081672179 UYOGUQKFNJDHPW-ZHMBSYLPSA-N 320.389 -0.526 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@H]2CCCCN2C(N)=O)[C@H](OC)C1 1082319639 CTQUQEULIRODQY-JHJVBQTASA-N 308.382 -0.632 30 20 DBED C=C(C)CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1COC(=O)N1 1083067228 KDUORTLAZZOKQF-RWMBFGLXSA-N 309.366 -0.027 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CN(CC)CCO1 1083280974 OPVPCKPKSZOWBZ-ZNMIVQPWSA-N 307.394 -0.748 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)c2ccc(-n3cnnn3)cc2)C1 1084032394 JGAFZIFSBRTTTB-KGLIPLIRSA-N 314.349 -0.377 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CCN(CC(=O)NC)C[C@H]21 1084418105 VQPHJEMIXBSWGT-QLFBSQMISA-N 318.421 -0.637 30 20 DBED N#CCN1CC[C@@H]2CN(C(=O)CC[C@@H]3NC(=O)NC3=O)C[C@@H]2C1 1088194796 XDIUVRQRSFBDAV-WOPDTQHZSA-N 319.365 -0.722 30 20 DBED C[C@@H]1[C@@H](NC(=O)[C@@H]2Cc3cncn3C(=O)N2)CCN1CC#N 1088763347 COLYVALRGDZOLF-USWWRNFRSA-N 302.338 -0.532 30 20 DBED CC(C)(C)n1cc(C(=O)N[C@H]2CCN(CC#N)C[C@H]2O)nn1 1090313349 AGIUDORGUHBAMF-CMPLNLGQSA-N 306.370 -0.278 30 20 DBED N#CCSCC(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1091074760 IXCKLMLVSCRGQV-MNOVXSKESA-N 318.362 -0.729 30 20 DBED N#Cc1cnc(NCCCNC(=O)[C@H]2CCCNC2=O)cn1 1094628180 KRRDLPIGPTUFRN-NSHDSACASA-N 302.338 -0.207 30 20 DBED CC(C)(C(N)=O)C(=O)N[C@H]1CCCN(c2ccnc(C#N)n2)C1 1096211221 ASHZVRBYKXXMOD-JTQLQIEISA-N 316.365 -0.055 30 20 DBED CNC(=O)CC(=O)N1[C@H]2CC[C@H]1CN(c1cnc(C#N)cn1)C2 1096889481 DLPBRVTZKDRAIM-RYUDHWBXSA-N 314.349 -0.336 30 20 DBED C[C@H](NC(N)=O)C(=O)N1CC[C@H](Nc2nccnc2C#N)C1 1096930685 KCAHWKPHBBBJMB-IUCAKERBSA-N 303.326 -0.582 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1CCN(C(=O)C(=O)NCC(F)F)C1 1096966955 GFIVJLNTHBTIKS-JTQLQIEISA-N 323.303 -0.231 30 20 DBED Cn1c(O)ncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC#N)c1=O 1097630270 FKZKPYXHNHGCFC-IEBDPFPHSA-N 303.322 -0.655 30 20 DBED C[C@@H](CNC(=O)[C@@H](C)n1cncn1)N=c1cc[nH]c(C#N)n1 1097785812 UFPFXWAVPWKAEI-VHSXEESVSA-N 300.326 -0.461 30 20 DBED Cc1cc(=N[C@@H](C)CNC(=O)[C@H]2COC(=O)N2)c(C#N)c[nH]1 1097817683 VCWBJEREZCZDDA-JOYOIKCWSA-N 303.322 -0.291 30 20 DBED C[C@H](CNC(=O)[C@@H]1CCS(=O)(=O)C1)N=c1cc[nH]cc1C#N 1098136321 FCPKPBWBCCRYRB-GHMZBOCLSA-N 322.390 -0.274 30 20 DBED C=CCCN(CCO)C1CCN(C(=O)CCNC(N)=O)CC1 1098556138 HZRSUUVWCNWSHC-UHFFFAOYSA-N 312.414 -0.094 30 20 DBED C[C@H](CCNC(=O)[C@]1(C)CCNC1=O)N=c1cc[nH]c(C#N)n1 1099687859 GGDUYUPESCLDNI-BMIGLBTASA-N 316.365 -0.397 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(CC(=O)NCCC)C[C@@H]1O 1099737773 DLIPTAXHXMPWKQ-STQMWFEESA-N 313.398 -0.733 30 20 DBED C=C(Cl)CN1CC[C@H](NC(=O)CC(=O)NCC)[C@H](O)C1 1099789873 UBEXNJSGXMIYLR-WDEREUQCSA-N 303.790 -0.184 30 20 DBED C#CCCCC(=O)N[C@H]1CCN(Cc2nnn(C)n2)C[C@@H]1O 1099806788 GQEAYGOCCFXQKI-RYUDHWBXSA-N 306.370 -0.935 30 20 DBED CCn1nncc1C(=O)N[C@@H]1CCN(CC#CCOC)C[C@H]1O 1099807773 VSWQGYSMBZTYON-TZMCWYRMSA-N 321.381 -0.887 30 20 DBED C#CCN1CC[C@H](NC(=O)C2(CC#C)CCOCC2)[C@@H](O)C1 1099869271 MOCLEPQQBSBQDF-GJZGRUSLSA-N 304.390 -0.009 30 20 DBED C=C(Cl)CN1CC[C@H](NC(=O)CCCC(N)=O)[C@H](O)C1 1100143195 PIVZMSFQFZAVCL-WDEREUQCSA-N 303.790 -0.054 30 20 DBED CN(CCNC(=O)[C@@H]1CCS(=O)(=O)C1)c1cncc(C#N)n1 1100227268 NWERCVNVEDWCIC-SNVBAGLBSA-N 323.378 -0.665 30 20 DBED CC[C@H](C(=O)NC[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C)N(C)C 1102085895 HMXKVKZCFUEXPL-MGPQQGTHSA-N 323.441 -0.350 30 20 DBED COCC#CCN1C[C@@H](C)[C@H](CNC(=O)Cc2nc[nH]n2)C1 1102506240 AXNSVOAZKRSGOG-CHWSQXEVSA-N 305.382 -0.319 30 20 DBED CC[C@@H](CNC(=O)Cn1cncn1)Nc1ccc(C#N)nn1 1103086234 WGNRWBGBFWMQIB-JTQLQIEISA-N 300.326 -0.053 30 20 DBED CC[C@H](CNC(=O)C1(C(N)=O)CC1)N=c1cc[nH]cc1C#N 1103281381 HQPMRXNXHLRUST-LLVKDONJSA-N 301.350 -0.053 30 20 DBED CC[C@H](CNC(=O)[C@H]1OCCO[C@H]1C)N=c1cc[nH]c(C#N)n1 1103360964 CAOZYJUGHAUQCK-WDMOLILDSA-N 319.365 -0.119 30 20 DBED CCOCC(=O)NC[C@H]1CN(c2nccnc2C#N)CCO1 1104280643 PVQZSBNAVOGBAW-NSHDSACASA-N 305.338 -0.294 30 20 DBED C#CCNCC[C@@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@H]1C 1104487148 RPPICBGEVUKAEG-ZIAGYGMSSA-N 306.410 -0.874 30 20 DBED C#CCNCc1cn(C2CN(C(=O)C3CCC(O)CC3)C2)nn1 1105223801 JNVQCPNXWUEAEZ-UHFFFAOYSA-N 317.393 -0.065 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(n2cc(CNCCCO)nn2)C1 1105240747 ZSSNTSGVEVEYHW-GFCCVEGCSA-N 321.381 -0.828 30 20 DBED CC(=O)N[C@@H](C)C(=O)N(C)CCN(C)c1cncc(C#N)n1 1105319541 PLEBRRSBRZSJEA-JTQLQIEISA-N 304.354 -0.233 30 20 DBED CN(CCN(C)c1cnc(C#N)cn1)C(=O)CNC(=O)C1CC1 1105333156 JIPKULBRQCWJPX-UHFFFAOYSA-N 316.365 -0.231 30 20 DBED CC#CCNCc1cn(C2CN(C(=O)c3ccncn3)C2)nn1 1105347347 APNXDNZVAJHYFI-UHFFFAOYSA-N 311.349 -0.122 30 20 DBED Cn1cccc1C(=O)NC[C@@H](O)CNc1cnc(C#N)cn1 1105755017 OKVGJXLCLNWQAA-NSHDSACASA-N 300.322 -0.110 30 20 DBED Cc1cc(C(=O)NC[C@H](O)CN=c2cc[nH]c(C#N)n2)cnn1 1105813828 SBLHIRCAEVPXIN-LLVKDONJSA-N 313.321 -0.929 30 20 DBED C=CCCNC[C@@H]1CN(C(=O)C[C@@H]2NC(=O)NC2=O)C[C@H]1C 1106266665 WKCKRKPNRRCOOM-UTUOFQBUSA-N 308.382 -0.155 30 20 DBED CCN(CCNc1ncccc1C#N)C(=O)[C@@H]1CNC(=O)N1 1106928249 IEGKVSMKAMCGOY-NSHDSACASA-N 302.338 -0.105 30 20 DBED C=C[C@](C)(O)CC(=O)NCc1cn(C2CN(CCO)C2)nn1 1107164255 XVVCGPJOMSFIQU-AWEZNQCLSA-N 309.370 -0.930 30 20 DBED C[C@@]1(C(=O)NC/C=C\CN=c2cc[nH]cc2C#N)CNC(=O)C1 1107421863 LPEAWACPLYPCLS-YPQKKHBXSA-N 313.361 -0.014 30 20 DBED C=CCOCC(=O)NC[C@]1(C)CN(Cc2cnon2)CCO1 1107811245 KNCVRDRIVPTUMX-CQSZACIVSA-N 310.354 -0.021 30 20 DBED C[C@@H](C(N)=O)N1CCO[C@@](C)(CNC(=O)c2cc(C#N)c[nH]2)C1 1107850533 LPQICPYNVSDGPL-BONVTDFDSA-N 319.365 -0.419 30 20 DBED C#CCCN1CCO[C@](C)(CNC(=O)[C@H]2CCN(C)C2=O)C1 1108147046 XMOIZYLBYRGWTL-CZUORRHYSA-N 307.394 -0.305 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)COCCN(C)C)CC2=O)C1 1108587250 JRZXBBSWAPTNID-ZDUSSCGKSA-N 324.425 -0.848 30 20 DBED C[C@H](CN(C)c1ccc(C#N)nn1)NC(=O)[C@H]1CCN(C)C1=O 1109184355 XVKLYBOINMFPIY-ZYHUDNBSSA-N 316.365 -0.233 30 20 DBED C[C@H](NC(N)=O)C(=O)N(C)CCCN=c1cc[nH]cc1C#N 1109422263 FZRBFBAQGJBJQX-JTQLQIEISA-N 304.354 -0.308 30 20 DBED N#Cc1cnc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)CCc2cnn[nH]2)cn1 1109741480 HVIULOJRRCBEJC-MURWCNHISA-N 324.348 -0.208 30 20 DBED N#Cc1nc(=NC[C@@H](NC(=O)[C@H]2CCNC2=O)C2CC2)cc[nH]1 1109946608 WTIFIWZBYDCGLA-WDEREUQCSA-N 314.349 -0.787 30 20 DBED CCC(=O)NCC(=O)N[C@]1(C)CCN(c2cncc(C#N)n2)C1 1110733463 MDZGFHAFBNBAEQ-OAHLLOKOSA-N 316.365 -0.041 30 20 DBED C[C@@]1(NC(=O)Cn2ncnn2)CCN(c2ccc(C#N)nc2)C1 1110785749 FZTLRONFLNPJMX-CQSZACIVSA-N 312.337 -0.275 30 20 DBED CC(=O)NCC(=O)N(C)[C@H]1CN(c2ccc(C#N)nc2)C[C@@H]1O 1111169816 KWDIEOIEODWBMI-KBPBESRZSA-N 317.349 -0.903 30 20 DBED Cc1cc(N2CCC[C@](CO)(NC(=O)C(N)=O)C2)c(C#N)cn1 1111363601 AICTZPJHGUSBQD-HNNXBMFYSA-N 317.349 -0.806 30 20 DBED CCC(=O)NCC(=O)N(CCO)CCNc1ccc(C#N)nn1 1111429548 PMZZSYIJGKJQPY-UHFFFAOYSA-N 320.353 -0.893 30 20 DBED C[C@H]1CN(C(=O)CCNC(N)=O)CC2(CCN(CC#N)CC2)O1 1111552765 MCWOOIQUAFAQKM-LBPRGKRZSA-N 323.397 -0.350 30 20 DBED COCC#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC(=O)N2)C1 1111653046 PSOMYEUADKFYPQ-VBQJREDUSA-N 319.405 -0.115 30 20 DBED COCC#CCNC[C@]12CCC[C@H]1CN(C(=O)CNC(N)=O)C2 1112251811 XAPXXXSSSUXEOZ-BBRMVZONSA-N 322.409 -0.477 30 20 DBED CN(C[C@H]1CCCN1C(=O)CNC(N)=O)c1ccnc(C#N)n1 1112779680 GQSVFJFBGOLBAK-SNVBAGLBSA-N 317.353 -0.556 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)c2cc(C3CC3)on2)CC1 1113167646 WNEZDSIWNCXKFK-UHFFFAOYSA-N 317.349 -0.050 30 20 DBED C=CCN1CC[C@H](N2C[C@@H]3C(NC(=O)CCOC)[C@H]3C2)C1=O 1113771094 ZIHYLLAKCQNPGW-AVGNSLFASA-N 307.394 -0.144 30 20 DBED N#CCSCC(=O)N[C@H]1[C@@H]2CN(CC(=O)N3CCCC3)C[C@@H]21 1113891546 UGJTUZAUDCWLMA-JYAVWHMHSA-N 322.434 -0.088 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)c3n[nH]c(C)c3C)[C@@H]2C1 1114060592 MBHQRWIBHYBVMD-VXGBXAGGSA-N 317.393 -0.011 30 20 DBED COC[C@H](O)CN1C[C@H]2[C@H](NC(=O)c3c[nH]c(C#N)c3)[C@H]2C1 1114148577 ITHPZOCFMGIAHR-MQYQWHSLSA-N 304.350 -0.446 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)C34CCN(CC3)C4)[C@H]2C1 1115121006 KAJLAPQHGACMNO-STQMWFEESA-N 318.421 -0.569 30 20 DBED C[C@H](CN(C)C(=O)[C@H]1COC(=O)N1)N=c1cc[nH]c(C#N)n1 1115703035 QUALZMMIULNFGY-RKDXNWHRSA-N 304.310 -0.863 30 20 DBED COC[C@H](CNC(=O)C(=O)Nc1cc(C)nn1CCC#N)OC 1116522895 FGPRARVUVGXPCX-NSHDSACASA-N 323.353 -0.179 30 20 DBED CCOC(CCNS(=O)(=O)N1CCO[C@H](C#N)C1)OCC 1116915798 NCLCQFHXHLJCNX-LLVKDONJSA-N 321.399 -0.166 30 20 DBED C#CCNC(=O)CC(=O)NC1CC2(CC(NC[C@@H](C)O)C2)C1 1120980609 AFUZDNLNRKEHCW-MPXNVAGNSA-N 307.394 -0.476 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)c2cnsn2)nn1 1121092216 KYXNAWNEZCWOOO-MRVPVSSYSA-N 305.323 -0.597 30 20 DBED COC(=O)NCC(=O)NC[C@@H](CO)Nc1ccc(C#N)nc1 1121113884 ZICPJWWCQDFCNN-NSHDSACASA-N 307.310 -0.802 30 20 DBED N#Cc1nc(=N[C@@H](CO)CNC(=O)C[C@H]2CCCCO2)cc[nH]1 1121289243 XNPRMKUUYNOYLZ-VXGBXAGGSA-N 319.365 -0.382 30 20 DBED C[C@H](C(=O)NC[C@H](CO)Nc1cncc(C#N)n1)n1cncn1 1121345863 HHMQHDSEMCLMGG-MWLCHTKSSA-N 316.325 -0.910 30 20 DBED Cc1cc(C#N)nc(N[C@@H](CO)CNC(=O)C[C@H]2CCOC2)n1 1121398828 JLOKXQVEOLSZCH-DGCLKSJQSA-N 319.365 -0.028 30 20 DBED Cc1nonc1CC(=O)NC[C@H](CO)Nc1ncccc1C#N 1121955984 GQJCMXFXQRJGFV-LLVKDONJSA-N 316.321 -0.224 30 20 DBED N#Cc1cnc(N[C@H](CO)CNC(=O)CO[C@@H]2CCOC2)cn1 1122072861 ZDHSSCWVEVXPMZ-NWDGAFQWSA-N 321.337 -0.957 30 20 DBED N#Cc1c[nH]ccc1=N[C@H](CO)CNC(=O)CCc1cnc[nH]1 1122747217 HVYPXQJHYSKHPN-ZDUSSCGKSA-N 314.349 -0.380 30 20 DBED C#CCN(CC#CC)c1nnc(C(N)=O)n1C[C@@H]1CCOC1 1123155004 TVWYEDCBSSACHX-LBPRGKRZSA-N 301.350 -0.124 30 20 DBED C=CCCC(=O)NCCN[C@@H](C)C(=O)N1CCC[C@@H](C(N)=O)C1 1124640939 VGVMXEZFWFPEJP-QWHCGFSZSA-N 324.425 -0.229 30 20 DBED C=CCOCCCC(=O)NCCNC[C@@H](O)COCCOC 1125252697 JUDZPVGWYRUUJJ-CQSZACIVSA-N 318.414 -0.301 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)CC2OCCCO2)C1=O 1126227774 JNKUHFBSDJZQPQ-LBPRGKRZSA-N 311.382 -0.368 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)Cc2nnc(C)o2)C1=O 1126667479 MOVXVKYQLWOQSD-LLVKDONJSA-N 307.354 -0.587 30 20 DBED C#CCO[C@@H](C)C(=O)NCCN[C@H](C)C(=O)NCCCOC 1127051322 FZOSAIUWXSNNQG-OLZOCXBDSA-N 313.398 -0.728 30 20 DBED CN(CCOCCNc1cnc(C#N)cn1)C(=O)c1nc[nH]n1 1127364042 IPEDRBTVZICNQW-UHFFFAOYSA-N 316.325 -0.333 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H](CC)N(C)C)C1 1129271825 QQIDMJGAAYYTMO-RDBSUJKOSA-N 304.398 -0.407 30 20 DBED C=CCn1cccc1C(=O)NCCN[C@H](C)C(=O)NC(=O)NC 1129508463 AWPKEXDKKDUWIF-LLVKDONJSA-N 321.381 -0.162 30 20 DBED CC#CCN[C@@H]1CN(C(=O)CC(=O)N(C)C)C[C@@H]1n1ccnn1 1130030750 PVVSYRKYLSBNNI-OLZOCXBDSA-N 318.381 -0.879 30 20 DBED CN(C)C(=O)CC(=O)NCc1c[nH]nc1[C@H]1CCN(CC#N)C1 1130431368 WLWOTVAZDLXOEL-NSHDSACASA-N 318.381 -0.183 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](NCCCO)[C@H](c2cncn2C)C1 1130940836 KRQSANQMEPJDBW-YNEHKIRRSA-N 305.382 -0.154 30 20 DBED C#CCCCC(=O)N1C[C@@H]2C[C@@H]3CN([C@H](C)C(N)=O)C[C@]2(C1)O3 1131219695 ALSGFHSTOAFVLB-UMPJEAMMSA-N 319.405 -0.035 30 20 DBED CNS(=O)(=O)CCC(=O)N1CC[C@@H](C)[C@H](CNCC#N)C1 1132828291 PSOMKVIYFJPYNV-VXGBXAGGSA-N 316.427 -0.477 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)C1CC2(CC2)C1 1133646417 JWUDTHVIPICTFY-UHFFFAOYSA-N 308.382 -0.106 30 20 DBED C#CCCN[C@H](C)C[C@@H](C)NC(=O)Cn1ccc(O)nc1=O 1134891879 HWGXTJPREZXSOY-VXGBXAGGSA-N 306.366 -0.155 30 20 DBED C#CCNC(=O)CNCCNC(=O)CN(C)CCCCCC 1135437440 TWBXEVLPFFRBMF-UHFFFAOYSA-N 310.442 -0.046 30 20 DBED C=C(C)CN(CC)C(=O)[C@H](C)NCCNC(=O)c1nc[nH]n1 1135529241 KQXTYFNHCNQAAK-NSHDSACASA-N 308.386 -0.063 30 20 DBED CCn1cc(C(=O)N[C@@H](C)C[C@@H](C)NCC(=O)NCC#N)nn1 1135806508 FKWFGUSQAFCRJM-MNOVXSKESA-N 321.385 -0.576 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)c1cc[nH]n1)C2 1147025617 AUPFVAQGPYTBDW-UHFFFAOYSA-N 301.350 -0.693 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)C23CCN(CC2)C3)C1=O 1147977129 KEJURMITAWGUHI-ZDUSSCGKSA-N 306.410 -0.425 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)[C@H](OC)C(C)C)C2 1148210578 REHGKEZIYKIGDS-OAHLLOKOSA-N 321.421 -0.059 30 20 DBED C=CCN1CCC(CCOC)(NC(=O)Cn2ncnn2)CC1 1151137776 ITZWDRZRJWRKOY-UHFFFAOYSA-N 308.386 -0.154 30 20 DBED C=CCOCC(=O)NCCCNC[C@@H](O)COCCOC 1155711791 ACIFGAWIJBMOHI-CYBMUJFWSA-N 304.387 -0.691 30 20 DBED COCC1(CNC(=O)c2nnn(C)n2)CCN(CC#N)CC1 1162418437 ADQBQWXONNRGEC-UHFFFAOYSA-N 307.358 -0.808 30 20 DBED C#CCNC(=O)CNCCCNC(=O)C(C)(C)N1CCCC1 1163834194 VIPOFEFEPLBWEM-UHFFFAOYSA-N 308.426 -0.294 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@H]1CCCCN1CC 1176986109 DYWVYYDHQQBFSU-CQSZACIVSA-N 308.426 -0.294 30 20 DBED Cn1ncc(C(=O)NCCCNCC(=O)NCC#N)c1C1CC1 1177422895 FVZISFQYFFVJTO-UHFFFAOYSA-N 318.381 -0.353 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@@H](NCc2ncnn2CCF)C1 1182504607 GZJANHIDXLLBEK-QWHCGFSZSA-N 323.372 -0.024 30 20 DBED C=C(C)CCC(=O)N1CC[C@@H](NCC(=O)N2CCNC(=O)C2)C1 1182933427 SRVSHRFRNLULOQ-CYBMUJFWSA-N 322.409 -0.508 30 20 DBED N#CCNC(=O)CN[C@@H]1CCN(C(=O)C2(F)CCOCC2)C1 1183104022 TWWKDYHWRNHUML-LLVKDONJSA-N 312.345 -0.665 30 20 DBED C[C@@H]1CN(C(=O)Cn2c(O)nnc2O)C[C@@]1(C)CNCC#N 1183291457 QUOKPYKTCGRJEG-NOZJJQNGSA-N 308.342 -0.713 30 20 DBED C#CCNC[C@H]1CCN(C(=O)Cn2nc(C)n(C)c2=O)C[C@H]1C 1185594566 FPHUSVDTPOLGNN-TZMCWYRMSA-N 319.409 -0.402 30 20 DBED N#CCNC(=O)CN[C@@H]1CCN(C(=O)CCc2cncs2)C1 1185706269 KMLXPWFZYGKLHQ-LLVKDONJSA-N 321.406 -0.094 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)[C@H](C)CS(C)(=O)=O)C1 1188195163 FVLLIMCNORCJRG-CHWSQXEVSA-N 316.423 -0.493 30 20 DBED Cc1cc(C(=O)N2CC[C@@H](N(C)CC(=O)NCC#N)C2)n(C)n1 1189116768 XHTZTJYKWQHAFQ-GFCCVEGCSA-N 318.381 -0.485 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 1189388392 FJGAQDJKNDRVNL-UONOGXRCSA-N 308.426 -0.085 30 20 DBED CCC[C@H](OC)C(=O)N1CC[C@@H](N(C)CC(=O)NCC#N)C1 1191695538 JWLSSLPFYLILHX-OLZOCXBDSA-N 310.398 -0.026 30 20 DBED C#CCNC(=O)[C@H](C)N1CCCN(C(=O)[C@H]2COCCO2)CC1 1194889067 FJHZGHCXDRTYSZ-UONOGXRCSA-N 323.393 -0.926 30 20 DBED COCC#CCN1CCCN(C(=O)[C@H]2C[C@H]2C(=O)OC)CC1 1195192036 RKWOBCASNNFBHG-UONOGXRCSA-N 308.378 -0.020 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1CN(C[C@H](O)Cn2cccn2)C[C@H]1O 1195333626 LJZIVAAOPAZXOG-BFHYXJOUSA-N 322.409 -0.383 30 20 DBED CC[C@@H](C)CCC(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1O 1197109401 XBLRDHJDQRADDS-JHJVBQTASA-N 310.398 -0.386 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C[C@H](CC)C(C)C)C1 1197934917 KMHZUQHFLGUFKL-RRFJBIMHSA-N 323.437 -0.031 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)[C@@]23CCCN(CC2)C3)C1 1198187271 WCOSEOWARWFUCT-INMHGKMJSA-N 323.437 -0.164 30 20 DBED C=CCNC(=O)NC(=O)CNC1CCN(C(=O)C2CC2)CC1 1199049290 VBFCFOUCFZIHSG-UHFFFAOYSA-N 308.382 -0.011 30 20 DBED C#CCCNC[C@H]1CN(C(=O)[C@H]2CN(C)C(=O)N2)CCCO1 1201155050 KKDJQFDJCUJGTL-QWHCGFSZSA-N 308.382 -0.760 30 20 DBED C#CCNC[C@H]1CN(C(=O)CS(=O)(=O)C(C)C)CCCO1 1202099952 WGQAHRJHMGPZAR-ZDUSSCGKSA-N 316.423 -0.350 30 20 DBED CC(C)C[C@H](C(N)=O)C(=O)N1CCCO[C@H](CNCC#N)C1 1202251208 PMZYHEMKGJOGTJ-CHWSQXEVSA-N 310.398 -0.135 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)c2ccnn2C)C1 1207591271 FLFKUARASUMDFB-GFCCVEGCSA-N 303.366 -0.636 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCCN(C(=O)CNC(=O)CC)C1 1207701546 MLTHTAVQRSHBCR-OLZOCXBDSA-N 322.409 -0.769 30 20 DBED COc1cc(C(=O)N2CCC[C@H](NCC(=O)NCC#N)C2)on1 1207859719 BZEDGMHDFAKHSG-JTQLQIEISA-N 321.337 -0.483 30 20 DBED COCC#CCN[C@@H]1CCCN(C(=O)C2CN(C(C)=O)C2)C1 1207898210 MBMAYLVHDALWNN-OAHLLOKOSA-N 307.394 -0.305 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)C2(COC)CC2)C1 1208570427 YFIDLIZDTHONDY-ZDUSSCGKSA-N 307.394 -0.257 30 20 DBED CO[C@@H]1CN(CCN2C(=O)CCC2=O)C[C@H]1NC(=O)[C@@H](C)C#N 1212045780 WGCZBFZKRZSTBA-QJPTWQEYSA-N 322.365 -0.890 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(CCn2cncn2)C[C@H]1OC 1212194810 XVSKWKTVRYHVAX-NFAWXSAZSA-N 323.397 -0.579 30 20 DBED C=CCCN1C[C@@H](NC(=O)CCS(=O)(=O)NC)[C@H](OC)C1 1212270358 NBFIKLDIVOASDA-VXGBXAGGSA-N 319.427 -0.683 30 20 DBED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)[C@@H](F)C(C)C 1213300124 LCHSWPVKICEROZ-WZRBSPASSA-N 314.361 -0.564 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)CNC(=O)CC)C[C@H]1C 1214355870 JNUSQBXIGBSVBR-FRRDWIJNSA-N 322.409 -0.913 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)c2[nH]cnc2C)C[C@H]1C 1217092993 PONXEEUFCASLQJ-ZYHUDNBSSA-N 303.366 -0.482 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(Cc2nc(CC)no2)C[C@@H]1O 1219536042 JKUYSERKMXCIPF-ZETOZRRWSA-N 324.381 -0.380 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)CC(C)(C)C=C)C1 1219709219 VMSYHXGEDMAVDF-MCIONIFRSA-N 321.421 -0.112 30 20 DBED CC(C)(C)[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@@H]1O 1219989156 LOUJJDHQYIWEEX-LPWJVIDDSA-N 322.409 -0.530 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H](C)CC(F)F)C1 1220027567 IONWKVHSQALGPU-AXFHLTTASA-N 319.352 -0.259 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)COc2cccnc2)C1 1220551863 MGCNSGRNBLTQPK-CABCVRRESA-N 321.377 -0.176 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)CC[C@@]2(C)CCC(=O)N2)C1 1221204931 SEVIDHBOKYQMBZ-WWGRRREGSA-N 307.394 -0.380 30 20 DBED CC[C@@H](OC)C(=O)N1CC[C@H]2CCN(CC(=O)NCC#N)[C@H]2C1 1222372101 XJFYFABRSRSZFK-HZSPNIEDSA-N 322.409 -0.026 30 20 DBED COCC#CCN1CCC(CNC(=O)[C@@H]2COCCO2)CC1 1222416871 QTZUGSHWBPKVTQ-HNNXBMFYSA-N 310.394 -0.120 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cncn1C 1227311436 PPTISQGDUWGIOO-CHWSQXEVSA-N 317.393 -0.200 30 20 DBED CCN(C)C(C)(C)C(=O)NC1CCN(CC(=O)NCC#N)CC1 1228053288 CTGQHDHXBCJQED-UHFFFAOYSA-N 323.441 -0.063 30 20 DBED C[C@H]1OCC[C@H]1C(=O)NC1CCN(CC(=O)NCC#N)CC1 1229732665 NIFQXOGHNGBZLZ-DGCLKSJQSA-N 308.382 -0.368 30 20 DBED C#CCN1CCS(=O)(=O)[C@H](CCNC(=O)[C@H](C)SC)C1 1230422135 HCVDFZAECIDFID-NWDGAFQWSA-N 318.464 -0.024 30 20 DBED C=CCOCC(=O)N(C)C[C@@H]1CCN1CCN1CCNC1=O 1231240631 NBKHKGGVHXMNFG-ZDUSSCGKSA-N 310.398 -0.253 30 20 DBED CC(C)C#CC(=O)N(C)C[C@@H]1CCN1CCN1C(=O)CNC1=O 1234170754 MKKVSOFAAWDMPC-ZDUSSCGKSA-N 320.393 -0.270 30 20 DBED COCC#CCN1CC[C@@H]1CN(C)C(=O)CN1CCOCC1=O 1235410373 RBHAVFQZCJVHHM-CQSZACIVSA-N 323.393 -0.972 30 20 DBED C=C(C)CN(C)C(=O)C(=O)NC1CCN(S(C)(=O)=O)CC1 1261758628 DUBQSKIYHZAIEM-UHFFFAOYSA-N 317.411 -0.439 30 20 DBED CN(C)C(=O)NCCN(C)C(=O)NC1CCN(CC#N)CC1 1320228422 VEYDBXHFEYQSKF-UHFFFAOYSA-N 310.402 -0.113 30 20 DBED Cc1cc(NC(=O)C(=O)N2CC[C@@](F)(CO)C2)nn1CCC#N 1321475212 XVSCYRWIPXFWFF-AWEZNQCLSA-N 323.328 -0.023 30 20 DBED CCN(C)C(=O)CNC(=O)C(=O)NCC#Cc1ccccc1 1321633165 XPUPHLNEEVMOIV-UHFFFAOYSA-N 301.346 -0.251 30 20 DBED Cc1cc(C)n(CCCNC(=O)C(=O)N2CCO[C@H](C#N)C2)n1 1321887981 QSDDPVXONGEQNW-CYBMUJFWSA-N 319.365 -0.243 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)NCCc2ccc(O)cc2)CCO1 1327591620 KERKGCLAAQSUQJ-CYBMUJFWSA-N 303.318 -0.198 30 20 DBED CN(Cc1nccn1C)C(=O)C(=O)N1CC[C@](O)(CC#N)C1 1329446974 HUCOQKLFDQIAOA-CQSZACIVSA-N 305.338 -0.744 30 20 DBED C=CCn1c(N2CCNC(=O)C2)nnc1[C@]1(C)CNC(=O)C1 1338701678 OLQASGWYDACLIN-AWEZNQCLSA-N 304.354 -0.822 30 20 DBED CC(C)N(CCS(C)(=O)=O)C(=O)NCC(=O)NCC#N 1346659476 UTXXAUZFLKGITN-UHFFFAOYSA-N 304.372 -0.909 30 20 DBED COC(=O)C1(NC(=O)Cn2cc(C#N)c(O)nc2=O)CCC1 1362263619 BREWWHSOVMJWPP-UHFFFAOYSA-N 306.278 -0.968 30 20 DBED CO[C@H]1CN(C(=O)CCn2cc(C#N)c(O)nc2=O)C[C@H]1OC 1362624605 WTCCDIDUGHGARR-PHIMTYICSA-N 322.321 -0.917 30 20 DBED N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)[C@H]1C[C@H]1C(N)=O 1363131342 XKLZJADRKOYDIO-SFYZADRCSA-N 304.310 -0.822 30 20 DBED CO[C@@H](C(=O)NCCN1CCN(C(=O)[C@H](C)C#N)CC1)C1CC1 1372214816 WLLYREQGBHNRPD-TZMCWYRMSA-N 322.409 -0.169 30 20 DBED CCCNC(=O)NC(=O)CN[C@H]1C[C@@H](CNC(=O)[C@H](C)C#N)C1 1417761255 JIUSLJFYQIZXAP-UTUOFQBUSA-N 323.397 -0.134 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N1CC[C@@]2(CCOC2=O)C1 1434648144 BIZGMSRIRGQDOL-ZYHUDNBSSA-N 301.368 -0.038 30 20 DBED C[C@@H](C#N)C(=O)NC[C@](C)(NC(=O)c1cnn(C)n1)C1CC1 1451264469 GACXNKZOJNYODF-XPTSAGLGSA-N 304.354 -0.011 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CC[C@H](NC(=O)[C@H]2COC(=O)N2)CC1 1451362090 UOIPPWNHJYKZHH-GWOFURMSSA-N 308.338 -0.202 30 20 DBED CC(C)(C#N)CS(=O)(=O)N1CCC[C@H](CS(N)(=O)=O)C1 1475229784 OXHDYXQURCBWQC-JTQLQIEISA-N 323.440 -0.134 30 20 DBED C[C@H](C#N)C(=O)NCCN(C)C(=O)[C@@H]1CCc2nnn(C)c2C1 1496502233 RXVJOCZEBUJINU-GHMZBOCLSA-N 318.381 -0.346 30 20 DBED N#C[C@@H](C(=O)Nc1ccccn1)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 1515209128 ARQHWCIQJUMDRN-BBBLOLIVSA-N 302.290 -0.238 30 20 DBED C[C@@H](C(=O)NCCN(C)C(=O)c1c[nH]c(C#N)c1)n1cncn1 1528048815 LAAZRUVSMZCEFU-JTQLQIEISA-N 315.337 -0.073 30 20 DBED COC(=O)NCC(=O)N1CC[C@@H]1CNC(=O)c1cc(C#N)c[nH]1 1534749847 NJCZCNGKXNKQBF-SNVBAGLBSA-N 319.321 -0.427 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N[C@H]2C[C@H](N)C23CCC3)CCO1 1580042518 UXIARUGPVBQRMW-VWYCJHECSA-N 300.384 -0.685 30 20 DBED C#CCN(CC(=O)O)[C@@H](C)C(=O)NC(=O)NCC(F)(F)F 1588419713 BTILHUAKAGLYLT-ZETCQYMHSA-N 309.244 -0.217 30 20 DBED C=CCCOCCn1nnnc1N1C[C@@H]2COC[C@]2(C(=O)O)C1 1588460411 FGZAYYOUKVPCJX-BXUZGUMPSA-N 323.353 -0.197 30 20 DBED CC#CC[C@@H](CO)NS(=O)(=O)c1cc(C(=O)O)cn1C 1588925254 NYZWXYDLTQJCGN-JTQLQIEISA-N 300.336 -0.224 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 1591742667 NMNDOTBNQMVWHJ-LDYMZIIASA-N 300.326 -0.232 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)NCCCCC(=O)O)CCN1C1CC1 1594605936 MRZWIAIMVYTVLM-GFCCVEGCSA-N 322.365 -0.444 30 20 DBED C#CCC1(O)CCN(C(=O)C(=O)N2CCC[C@@H](C(=O)O)C2)CC1 1602675426 VLFDNKKAJDMHKW-GFCCVEGCSA-N 322.361 -0.314 30 20 DBED N#Cc1ncc(NCCCC(=O)NC2CC2)nc1-c1nn[nH]n1 1606398363 YEVRNENIHRTAFT-UHFFFAOYSA-N 313.325 -0.001 30 20 DBED N#C[C@H]1CN(S(=O)(=O)N2CCC[C@H](CC(N)=O)C2)CCO1 1647180296 WUBXFEJFCAIXSD-MNOVXSKESA-N 316.383 -0.957 30 20 DBED C=CCNC(=O)CN[C@@H](C)CCNC(=O)[C@@]1(C)CCNC1=O 1733905979 PSYNATOFRWJYHO-XHDPSFHLSA-N 310.398 -0.701 30 20 DBED N#CCN(CCCNC(=O)[C@@H]1CCS(=O)(=O)N1)C1CC1 1752294454 XLHVIBGFMLUGFE-NSHDSACASA-N 300.384 -0.828 30 20 DBED C#CCNCCNC(=O)[C@H]1CCCN(C(=O)c2ccnnc2)C1 1752927106 LZZLVPLVMOEGQB-AWEZNQCLSA-N 315.377 -0.332 30 20 DBED N#CCNC(=O)CN(CCNC(=O)[C@@H]1C[C@@]12CCOC2)C1CC1 1753161240 BNJIQXIJNUUTRG-XJKSGUPXSA-N 320.393 -0.367 30 20 DBED C#CCNC(=O)[C@@H](C)N1[C@H]2CC[C@H]1CN(C(=O)[C@@H](C)C#N)C2 1753304394 CMPMEYVEXATOPS-CRWXNKLISA-N 302.378 -0.041 30 20 DBED C=C[C@](C)(CC)C(=O)NC1CN(CCNS(C)(=O)=O)C1 1753387633 ZNEMBTVTPQPHRR-CYBMUJFWSA-N 303.428 -0.062 30 20 DBED C=CCNC(=O)CN1CC[C@H](N(CC)C(=O)[C@H](C)CC(N)=O)C1 1753462539 VHJCCAJTOKWGHZ-OLZOCXBDSA-N 324.425 -0.277 30 20 DBED CC[C@@H](CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)NCC(=O)NCC#N 1753484569 XWYBISSDWTYICL-PWNZVWSESA-N 322.409 -0.074 30 20 DBED C#CCNC(=O)CNC[C@H]1[C@H](C)CCCN1C(=O)c1ncc[nH]1 1753818926 NTCKHQRRUJGMQV-OLZOCXBDSA-N 317.393 -0.011 30 20 DBED Cc1ncccc1CC(=O)N(C)CCN(C)CC(=O)NCC#N 1753862625 HERAFAWIHCDBSY-UHFFFAOYSA-N 317.393 -0.038 30 20 DBED C#CCO[C@H](C)C(=O)NC/C=C/CN[C@@H](C)C(=O)NC(=O)NC 1754120777 WFMBRHOIAASSHK-FNSAGKMKSA-N 324.381 -0.869 30 20 DBED C#CCNC(=O)CN1C[C@H]2C[C@H]1[C@@H]2NC(=O)CN(C)CCC 1754430213 HMYBNFLWRMJVJG-DVOMOZLQSA-N 306.410 -0.734 30 20 DBED C#CCNC(=O)CNC[C@H](NC(=O)C[C@H]1CCCO1)C1CC1 1754434270 QFLNAVSVVWZKOE-KGLIPLIRSA-N 307.394 -0.211 30 20 DBED C=CCOCC(=O)NC[C@]1(O)CCN(Cc2nc(C)no2)C1 1754746626 WYSMKFFERBJLMJ-CQSZACIVSA-N 310.354 -0.366 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@]1(O)CCN(CCn2cccn2)C1 1754748128 FOKYQQFJXVXSHI-JKSUJKDBSA-N 322.409 -0.237 30 20 DBED C=CCCCNC[C@H]1CN(C(=O)C[C@H]2CC(=O)NC2=O)CCO1 1755017415 MVLWFKWVFBZESX-OLZOCXBDSA-N 323.393 -0.178 30 20 DBED Cc1c(C(=O)N2C[C@@H](C)[C@@H](NCC(=O)NCC#N)C2)cnn1C 1755103415 MBWOVMHRQQNONQ-MFKMUULPSA-N 318.381 -0.582 30 20 DBED N#CCNC(=O)CNCC1CC(NC(=O)CCc2cnc[nH]2)C1 1755212350 OIOJQMMLTBIPGO-UHFFFAOYSA-N 318.381 -0.534 30 20 DBED C[C@H](CNC(=O)C(C)(C)N1CCCC1)N(C)CC(=O)NCC#N 1755311003 GYGJBEKDWARAJE-CYBMUJFWSA-N 323.441 -0.063 30 20 DBED CCCC[C@@H](CNCC#CCOC)NC(=O)[C@H]1CNC(=O)N1 1755359626 GXISVZRSDBPGHJ-QWHCGFSZSA-N 310.398 -0.418 30 20 DBED C#CCN[C@@H](C)[C@@H]1CN(C(=O)CN2CCCCC2=O)CCO1 1755444902 OZFKNXVRXILXEH-KBPBESRZSA-N 307.394 -0.162 30 20 DBED CC#CCN(C)CCOCCNC(=O)[C@H](C)N1C(=O)CCC1=O 1755541075 VXWFFAIXZAXJBZ-ZDUSSCGKSA-N 323.393 -0.388 30 20 DBED COCC#CCN(C)C[C@@H](O)CN(C)C(=O)Cc1cnn(C)c1 1755798912 DCFLTNGDKFKATI-OAHLLOKOSA-N 322.409 -0.637 30 20 DBED C[C@H](NC(=O)CCn1cncn1)[C@@H](C)NC(=O)CSCC#N 1755951128 JVKIZMDIPWIKMS-WDEREUQCSA-N 324.410 -0.066 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H](C)N(C)C(=O)CCn1ccnn1 1756026142 AMVKAMWKRBPHMF-CHWSQXEVSA-N 321.381 -0.330 30 20 DBED C=CCOCC(=O)N[C@H](C)C1CN(C(=O)CN(C)C(C)=O)C1 1756130944 WZFKPZIDRIUCNA-LLVKDONJSA-N 311.382 -0.370 30 20 DBED C=CCCOCC(=O)N[C@@H](C)C1CN(C(=O)Cn2cnnn2)C1 1756147390 OCARVQQEWMUSGY-NSHDSACASA-N 322.369 -0.771 30 20 DBED C[C@@H](CN(C)C(=O)c1cn(C)nn1)NC(=O)CSCC#N 1756448193 NSHUPMGMVBRJJT-VIFPVBQESA-N 310.383 -0.351 30 20 DBED C=CCOCC(=O)N[C@@H](CO)CNC(=O)c1cnnc(C)c1 1756515114 FWIWEEXVWMIXHE-GFCCVEGCSA-N 308.338 -0.805 30 20 DBED C=C(C)CCC(=O)N[C@@H]1CN(C(=O)[C@H]2COCCO2)C[C@@H]1O 1757179499 VHUZQXLZGDRHST-FRRDWIJNSA-N 312.366 -0.554 30 20 DBED CC(C)C#CC(=O)N1C[C@H]2CCN(C(=O)CNC(N)=O)C[C@H]21 1757227714 GVBYBTKEQHGLLC-VXGBXAGGSA-N 306.366 -0.627 30 20 DBED CN(CCC#N)C(=O)CCN1CCN(CC[S@@](C)=O)CC1 1771641072 GTKOMBFOCSFIFP-OAQYLSRUSA-N 314.455 -0.255 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1c[nH]nc1C)CCO2 1783054408 MHSSHKMAUMYEBC-HNNXBMFYSA-N 302.334 -0.205 30 20 DBED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](CC)NC)[C@H]2C1 1786971558 DBLNYCAXBDIBTE-FQUUOJAGSA-N 307.394 -0.403 30 20 DBED COC(OC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC#N 1795077617 QLDJWJOPDWNDRN-PEGIJTEDSA-N 311.338 -0.891 30 20 DBED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)CC#N)C2 1841053860 IFQGDOWIDNZEMM-PLNGDYQASA-N 316.361 -0.038 30 20 DBED N#Cc1csc(C(=O)N2CCN(S(N)(=O)=O)CC2)c1 84189787 MVNROQVLDFVYFW-UHFFFAOYSA-N 300.365 -0.419 30 20 DBED C=CCNC(=O)CN1CCC(C(=O)NCC(=O)OCC)CC1 269658232 NSKJNPLVWRGZNX-UHFFFAOYSA-N 311.382 -0.320 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCC[C@H](N)C2)C1=O 275757985 MDPQTVGFESUYFS-UWVGGRQHSA-N 308.338 -0.651 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(C)CCCCCO)C1=O 279445066 CXJKZMDBNUUDBU-UHFFFAOYSA-N 311.338 -0.416 30 20 DBED Cc1cccc(=O)n1C[C@](C)(O)C(=O)N1CCO[C@H](C#N)C1 280758563 COQIDGVCJQSCBJ-DOMZBBRYSA-N 305.334 -0.341 30 20 DBED C=CCN1CC[C@H](N(C)c2c(C#N)c(=O)n(C)c(=O)n2C)C1=O 281917399 QDGXTGIEGHHRQL-NSHDSACASA-N 317.349 -0.821 30 20 DBED COc1ccncc1CNc1c(C#N)c(=O)n(C)c(=O)n1C 292751232 NQRVLDJBTPCUGA-UHFFFAOYSA-N 301.306 -0.029 30 20 DBED CN(CC(=O)N1CCOCC1)S(=O)(=O)CC1(C#N)CC1 329798452 HSPVUQCJOXHCIW-UHFFFAOYSA-N 301.368 -0.589 30 20 DBED O=C1NCCC[C@@H]1/N=C(/O)N[C@H]1CCN(CC(F)(F)F)C1=O 330744268 RSZFWUATMURKED-YUMQZZPRSA-N 322.287 -0.068 30 20 DBED C[C@H](O)CN1CCN(C(=O)CNc2ccc(C#N)cn2)CC1 331173582 PJEGTEWZOIXZJC-LBPRGKRZSA-N 303.366 -0.110 30 20 DBED N#Cc1ncn(CC(=O)N2CCNC(=O)[C@@H]2c2cccs2)n1 331534261 FCJNNJVIPZSZPR-LBPRGKRZSA-N 316.346 -0.089 30 20 DBED C[C@H](NS(=O)(=O)N1CCO[C@H](C#N)C1)C1CCOCC1 336932426 CKRAHMFGYCIBPK-CMPLNLGQSA-N 303.384 -0.140 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@](C)(COC)C(=O)OC 336949108 RGUUUFPWSBWQEB-PWSUYJOCSA-N 321.399 -0.120 30 20 DBED CNC(=O)[C@@H](C)CN(C)S(=O)(=O)N(CCC#N)CCOC 337074314 QSMRBOKLDYRPIR-NSHDSACASA-N 320.415 -0.593 30 20 DBED C=CCN1CCC(NC(=O)C(=O)N2C[C@@H](C)[C@@H](CO)C2)CC1 343764193 KDEOJOLSQCYCNK-CHWSQXEVSA-N 309.410 -0.160 30 20 DBED N#CCNC(=O)CNC(=O)CCOc1ccc(C(N)=O)cc1 344150016 IFGRWXYYENQPOM-UHFFFAOYSA-N 304.306 -0.690 30 20 DBED N#CCNC(=O)CNC(=O)NCCCOCC1CCOCC1 344830964 AGUJTRDHGRXXGF-UHFFFAOYSA-N 312.370 -0.241 30 20 DBED COC(=O)CC[C@H](NS(=O)(=O)CCCC#N)C(=O)OC 345639109 MCYBOBYNDAYABE-VIFPVBQESA-N 306.340 -0.296 30 20 DBED CC(C)n1cc(C#N)c(NC(=O)Cn2ccc(=O)n(C)c2=O)n1 354934981 OGLYTMCBSFBOQD-UHFFFAOYSA-N 316.321 -0.165 30 20 DBED C=CCOC[C@H](NC(=O)c1ccc(C(N)=O)cn1)C(=O)OC 360725435 KRWNRZFZVLGSPU-NSHDSACASA-N 307.306 -0.346 30 20 DBED C=CCS(=O)(=O)CCNS(=O)(=O)N1C[C@H]2CC[C@H]1C2 370332866 IVOXVAMXWYKFKE-QWRGUYRKSA-N 308.425 -0.094 30 20 DBED CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)N2CCO[C@@H](C#N)C2)O1 408107705 YILZMGLVVQGWLG-SRVKXCTJSA-N 310.354 -0.444 30 20 DBED CNS(=O)(=O)c1ccc(C(=O)N2CCO[C@H](C#N)C2)cn1 408299932 FNVGAUKHYWNHHM-SNVBAGLBSA-N 310.335 -0.646 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2C[C@@H]3CC[C@@H](N)[C@H]3C2)nn1 424545662 MASOYWYDTCTFTB-WCFLWFBJSA-N 318.381 -0.724 30 20 DBED N#Cc1cccc([N+](=O)[O-])c1N1CCN(S(N)(=O)=O)CC1 425214155 ZYCINSQTKXUQER-UHFFFAOYSA-N 311.323 -0.208 30 20 DBED N#Cc1ncn(CC(=O)NCCNC(=O)CC2CCCC2)n1 426415728 DYHSEBINCGHWLM-UHFFFAOYSA-N 304.354 -0.038 30 20 DBED Cn1c(N2CC[C@@H]3C[C@H](O)CC[C@@H]3C2)c(C#N)c(=O)n(C)c1=O 450814652 RGHGGFHPUWGUNE-IJLUTSLNSA-N 318.377 -0.057 30 20 DBED C#CCN(C)C(=O)C(=O)N1CCC[C@](COC)(C(=O)OCC)C1 491740940 RHNJNJPMGCMVNR-INIZCTEOSA-N 324.377 -0.104 30 20 DBED C#CCN1CCN(C(=O)CN2CCOC[C@H]2[C@@H]2CCCO2)CC1 491777921 XIKHIBLMRIJVKN-HOTGVXAUSA-N 321.421 -0.356 30 20 DBED C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 567917584 WFRMTRBQABBRFR-CYDGBPFRSA-N 308.382 -0.469 30 20 DBED CN(CC(=O)N1CC(=O)Nc2ccc(C#N)cc21)S(C)(=O)=O 600840302 FBROHEUPKXBBRC-UHFFFAOYSA-N 322.346 -0.265 30 20 DBED CC(C)[C@H](NC(=O)Cn1cnc(C#N)n1)C(=O)N1CCCC1 610884940 DPOFZMCNDGOFDR-ZDUSSCGKSA-N 304.354 -0.087 30 20 DBED CC#CC[C@H](CO)NC(=O)N[C@H]1CCOC[C@@H]1OCCOC 645454309 PYPXDVQZAPXTJW-RDBSUJKOSA-N 314.382 -0.120 30 20 DBED C=C[C@@](C)(O)C(=O)NCc1ccc(C(=O)NCC(N)=O)cc1 666569431 ZYDKTDMQEMCUBZ-OAHLLOKOSA-N 305.334 -0.545 30 20 DBED CC#CCOC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 744602425 PTPPZSMGYHTFSG-UHFFFAOYSA-N 304.306 -0.610 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N(C)CCNC(=O)N(C)C 763154325 YSXGLISDYSJIOM-UHFFFAOYSA-N 320.415 -0.500 30 20 DBED C=CCS(=O)(=O)CCNC(=O)c1cc(C(=O)OC)no1 783617569 FLVUOWOJUIUAGA-UHFFFAOYSA-N 302.308 -0.208 30 20 DBED C[C@H]1[C@@H](C)N(C)CCN1C(=O)C(=O)Nc1cnn(CC#N)c1 785297830 SWTQUCUZCPZJRK-MNOVXSKESA-N 304.354 -0.104 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@](C)(O)C2CCC2)CC1 813442936 VJOFHPZYPJZCGL-QGZVFWFLSA-N 321.421 -0.179 30 20 DBED C#CCNC(=O)COC(=O)c1ccc(N2CCOCC2)nc1 825653204 ZZDDXQQDXFGYNI-UHFFFAOYSA-N 303.318 -0.176 30 20 DBED C=CCN(CC(=O)OCC)C(=O)CCNC(=O)[C@H]1CCCN1 831457073 MVLXXMCDBOVTSI-GFCCVEGCSA-N 311.382 -0.178 30 20 DBED CN(C)S(=O)(=O)c1ccc(C(=O)N[C@@H]2CNC[C@@H]2C#N)cc1 834511326 KMOCOOAMHDOEIM-WCQYABFASA-N 322.390 -0.222 30 20 DBED C#CCC[C@H](O)CNC(=O)C1=C(C)N(C)c2nnnn2[C@H]1C 848035261 PXENCJQEZFFNDL-QWRGUYRKSA-N 304.354 -0.152 30 20 DBED CO[C@](C)(C(=O)OCC(=O)NCC#N)C(=O)OC(C)(C)C 850124529 SEMGRFJTEVVFKB-CYBMUJFWSA-N 300.311 -0.084 30 20 DBED C#CCCN(CCOC)C(=O)[C@@H]1CCCN(S(N)(=O)=O)C1 856391377 IKFAHYJJAFYOCS-GFCCVEGCSA-N 317.411 -0.600 30 20 DBED C#CCNC(=O)C1CCN(C(=O)N[C@H](C)C(=O)N(C)OC)CC1 858989147 YTXQEJQDUWFRIS-LLVKDONJSA-N 324.381 -0.434 30 20 DBED C#CCOc1ccccc1NC(=O)C(=O)N[C@@H]1CCOC[C@H]1O 862128628 IALDQPYWSYWEIU-DGCLKSJQSA-N 318.329 -0.097 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C1CCN(S(N)(=O)=O)CC1 863790247 CXZUDLOISQLYDT-LBPRGKRZSA-N 317.411 -0.554 30 20 DBED CS(=O)(=O)N1CC(C(=O)NCC2CCN(CC#N)CC2)C1 900831222 PVCRNISMXKSPHK-UHFFFAOYSA-N 314.411 -0.770 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@H]2C(=O)OCC)CC1 931880100 SPURNZKNAGPPPR-CHWSQXEVSA-N 321.377 -0.921 30 20 DBED C#CC1(O)CN(CCCN2C(=O)CS/C2=C/C(=O)OC)C1 934447750 GISBATNYXFVLLD-KPKJPENVSA-N 310.375 -0.354 30 20 DBED C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)[C@H]3CNC(=O)N3)C2)C1 938697943 DGGINUDIJCWYDT-WDEREUQCSA-N 306.366 -0.259 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](N(C)C(=O)CN2CCCNC2=O)C1 939395534 FCZPSGJXICUHGI-NWDGAFQWSA-N 321.381 -0.379 30 20 DBED C[C@@H]1CN(CC#N)CC[C@@H]1NC(=O)CN1C(=O)CN(C)C1=O 944790302 PHYLVFRAGWDYHT-MNOVXSKESA-N 307.354 -0.769 30 20 DBED C=CCn1cc(C(=O)NC2CCN(C(=O)CC(N)=O)CC2)nn1 945625090 KESFNYXZUAIMEP-UHFFFAOYSA-N 320.353 -0.940 30 20 DBED C=C(C)CCN1CCN(C(=O)CN2CCN(C)C(=O)C2)CC1 948958956 YSAPSPHXJCEIGD-UHFFFAOYSA-N 308.426 -0.129 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)C[C@H]1CCC(=O)N1)CCO2 949206742 ADGBKKWLVINTPU-CQSZACIVSA-N 319.405 -0.018 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]1CNC(=O)C1CCN(C(N)=O)CC1 949889896 QPFJQAQNDBIZNO-CMPLNLGQSA-N 321.381 -0.346 30 20 DBED N#CCN1C[C@@H](O)[C@H](CNC(=O)c2ncoc2-c2ccon2)C1 958593894 CTOSIJYHSXZKLK-MWLCHTKSSA-N 317.305 -0.124 30 20 DBED C#Cc1ccc(C(=O)N[C@H](C)[C@@H]2CCN(C(=O)C(N)=O)C2)nc1 959269043 RZDIMWBFMPKNNR-ZYHUDNBSSA-N 314.345 -0.485 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H]2CN(C(=O)c3cn(C)nn3)C[C@@H]21 960882611 NQUJOHXZDQUHTR-ZMLRMANQSA-N 318.337 -0.973 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CN(C(=O)CN3CCOCC3)C[C@H]2C1 961395698 PSMUVEOPLVFRHN-MCIONIFRSA-N 320.393 -0.605 30 20 DBED C=CCCN1C[C@H]2[C@H](NC(=O)CN3C(=O)NC(C)(C)C3=O)[C@H]2C1 962458617 YUPLLGFHAZOGRM-PJXYFTJBSA-N 320.393 -0.061 30 20 DBED Cc1ncncc1C(=O)NC[C@@H]1COCCN1C(=O)[C@H](C)C#N 964110611 IUKUJNJSBJORTD-ZYHUDNBSSA-N 317.349 -0.098 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)C[C@H]3COC(=O)C3)C2)C1 972344280 UQMJCTPYOUDPHQ-CJNGLKHVSA-N 306.362 -0.124 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)C(N)=O)[C@@H]2C1 974971208 XKFJPJSGPAYYQA-KKOKHZNYSA-N 307.350 -0.878 30 20 DBED Cn1nnc2c1C[C@@H](C(=O)NC[C@H]1[C@@H]3CN(CC#N)C[C@H]13)CC2 978649152 FJQYMIBVMVYNNZ-ZDEQEGDKSA-N 314.393 -0.262 30 20 DBED C#CCN[C@@H]1C[C@H](C)N(C(=O)c2cn(CC(=O)N(C)C)nn2)C1 989831177 IHKWPPZIIZHLGE-NWDGAFQWSA-N 318.381 -0.808 30 20 DBED C#Cc1ccc(C(=O)N2CC(NC(=O)c3cn(C)nn3)C2)nc1 991154366 BZDWPOHHOPQFOX-UHFFFAOYSA-N 310.317 -0.554 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)c3cn(C)nn3)C2)cn1 997090820 REMNSKPATUHXKW-UHFFFAOYSA-N 310.317 -0.554 30 20 DBED C=CCN[C@H]1CCCN(C(=O)C2CC3(C2)NC(=O)NC3=O)C1 1000442182 HGHURGLMQWPAFR-VTWZXRTESA-N 306.366 -0.259 30 20 DBED CN(C(=O)[C@@H]1CCN(C)S1(=O)=O)C1CCN(CC#N)CC1 1006123353 NAQBMZPMFLQIFH-LBPRGKRZSA-N 314.411 -0.533 30 20 DBED C[C@@H](C#N)C(=O)N1CCCC2(CN(C(=O)Cn3cncn3)C2)C1 1010875965 MFOCLDFAMSNGRT-LBPRGKRZSA-N 316.365 -0.111 30 20 DBED CN1C[C@H](C(=O)N2CCN(C(=O)C#CC3CC3)CC2)CCC1=O 1011111699 RRBGNYMPBPFGMJ-CQSZACIVSA-N 317.389 -0.061 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)CC(N)=O)[C@H]2C)nc1 1011584596 CLULROUGSQDGDS-CMPLNLGQSA-N 314.345 -0.343 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C(=O)C[C@H]2CCC(=O)N2C)CC1 1011882693 BYCZANBKMQQDIH-VXGBXAGGSA-N 306.366 -0.172 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2C(NC(=O)c3ccc(=O)n(C)c3)[C@@H]2C1 1013384648 HNTKBWOMEAPKBA-YUSALJHKSA-N 314.345 -0.268 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2C(NC(=O)c3cn(C)ccc3=O)[C@@H]2C1 1013490211 BAVDXECFNIUASA-GMTAPVOTSA-N 314.345 -0.268 30 20 DBED CCn1cc(C(=O)NC2[C@@H]3CN(C(=O)[C@H](C)C#N)C[C@@H]23)nn1 1013701409 XGZSAMORQYCCNR-OPRDCNLKSA-N 302.338 -0.356 30 20 DBED CC#CCN1CC[C@H](NC(=O)Cn2nc3ccccn3c2=O)C1 1015460769 VAIAOEGEAFYQFT-ZDUSSCGKSA-N 313.361 -0.290 30 20 DBED Cc1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2O)n(C)n1 1023143538 RDNQKMVUAWHROR-MKPLZMMCSA-N 305.338 -0.810 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn(C)cn2)C1 1023403358 AFGDEMNKHMKULF-ZYHUDNBSSA-N 306.366 -0.066 30 20 DBED Cc1ccnn1CC(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1O 1023735889 RKJKWAMKMSPTQT-MVWJERBFSA-N 305.338 -0.961 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnnc(O)c2)C1 1024186474 DGCDHHQNDDJGRM-GHMZBOCLSA-N 320.349 -0.304 30 20 DBED C[C@H](NC(=O)C1CC(=O)NC(=O)C1)[C@H]1CCCN(CC#N)C1 1025562941 WHZCQUACCOVOFP-QWRGUYRKSA-N 306.366 -0.221 30 20 DBED C#CCN1[C@H]2CC[C@H]1CN(C(=O)Cn1ccc(O)nc1=O)C2 1029382255 BFYDITCZRAJLQY-RYUDHWBXSA-N 302.334 -0.743 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)c3cnn(C)c3C)C2)C1=O 1030106551 CSDLUFLNZURVSD-CQSZACIVSA-N 317.393 -0.071 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)c3csnn3)C2)C1=O 1030754573 AETWIUVVRBAYMD-NSHDSACASA-N 307.379 -0.261 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)[C@H]3CCC(=O)N3C)C2)C1=O 1030829208 IMKBULBHDIADPO-OLZOCXBDSA-N 320.393 -0.806 30 20 DBED C=CCN1CC[C@@H](N2CC(CNC(=O)c3cnn[nH]3)C2)C1=O 1031807905 ITLAAGXJYHFJFC-GFCCVEGCSA-N 304.354 -0.747 30 20 DBED C#CCCN1CC(CNC(=O)[C@H]2CN3CC4CC3(CO2)C4)C1 1031857075 PYKNRHUZQZXRIT-GNHJJJEISA-N 303.406 -0.079 30 20 DBED C=CCCN1CC[C@H](N(C)C(=O)CN2C(=O)C(=O)N(C)C2=O)C1 1033470520 YDKJGKYTIPGYFY-NSHDSACASA-N 322.365 -0.484 30 20 DBED CC#CCN1CCO[C@H](CNC(=O)c2ccn(CCOC)n2)C1 1035442479 MBZYXPNMTCQSTD-CQSZACIVSA-N 320.393 -0.017 30 20 DBED CCCN1C[C@@H](C(=O)NC[C@@H]2CN(CC#N)CCO2)CC1=O 1035523458 SZCDMNPIUQTTMH-QWHCGFSZSA-N 308.382 -0.415 30 20 DBED CC#CCN1CCO[C@@H](CNC(=O)c2ccc(OC)nn2)C1 1035571255 WMRNGNBYKPPXDZ-LBPRGKRZSA-N 304.350 -0.061 30 20 DBED N#CCN1CC[C@H]1CNC(=O)c1cnc2c(c1)NC(=O)CO2 1038473168 KJXPBKLOMYITBR-JTQLQIEISA-N 301.306 -0.260 30 20 DBED C=C(C)CN1CC[C@H]1CNC(=O)[C@@H]1CCN(C)S1(=O)=O 1038801395 MKYSSCPEGIQMFN-RYUDHWBXSA-N 301.412 -0.213 30 20 DBED C#CCOc1ncccc1C(=O)NC[C@@H]1CCN1[C@H](C)C(N)=O 1038928185 LENJGAQIGMSGTJ-NEPJUHHUSA-N 316.361 -0.229 30 20 DBED N#CCN1CC[C@@H]([C@H]2CCCCN2C(=O)Cn2ncnn2)C1 1039202408 KKSWBPAARCVARN-CHWSQXEVSA-N 303.370 -0.100 30 20 DBED C=CC(C)(C)C(=O)NC[C@]1(O)CCN(C(=O)Cc2nc[nH]n2)C1 1040489800 CSAFXINBOBUIIL-OAHLLOKOSA-N 321.381 -0.361 30 20 DBED C=CCCCC(=O)NC[C@@]1(O)CCN(C(=O)Cc2nc[nH]n2)C1 1040727429 QFTWSYLTYZFMOH-HNNXBMFYSA-N 321.381 -0.217 30 20 DBED C[C@@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)CCCN(C)C)C1 1040759515 IYOVJGUFUUTGFD-SWLSCSKDSA-N 310.398 -0.433 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)Cc2cnn(C)c2)C1 1040762313 HCNILHDRYSZFHU-NHYWBVRUSA-N 319.365 -0.798 30 20 DBED N#Cc1nccnc1N1C[C@@H](O)[C@H](NC(=O)c2cocn2)C1 1040950653 NTIOBSPHWKXXEM-MWLCHTKSSA-N 300.278 -0.684 30 20 DBED C[C@H]1C[C@@H]1C(=O)NCC1(O)CN(C(=O)c2ccc(C#N)[nH]2)C1 1041285939 OUTKROVRMBXQFU-ONGXEEELSA-N 302.334 -0.155 30 20 DBED C=CCCCC(=O)N1CC(O)(CNC(=O)c2cc[n+]([O-])cc2)C1 1041331953 CZTVORCSBZYUQZ-UHFFFAOYSA-N 319.361 -0.021 30 20 DBED CC(C)(C)C#CC(=O)N1CC(O)(CNC(=O)CSCC#N)C1 1041569237 RPFBHGHUPYGXRF-UHFFFAOYSA-N 323.418 -0.018 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)[C@H]2CCC(=O)N(C)C2)C1 1041969945 SJLXTMDBFWFZOA-LBPRGKRZSA-N 323.393 -0.490 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)[C@@H]2CCCN2C)C1 1042105318 ZAKRAOIXUWVVON-LBPRGKRZSA-N 309.410 -0.018 30 20 DBED C#CCCN1CC[C@H]2CCN(C(=O)CN3C(=O)CNC3=O)C[C@H]21 1042345731 NBIHKBJNBIZQDK-QWHCGFSZSA-N 318.377 -0.516 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)[C@@]23CCC[C@@H]2C3)C1 1043033153 RUAPVXOUGCBZMV-CXAGYDPISA-N 320.389 -0.094 30 20 DBED N#Cc1nccc(N2C[C@H](O)[C@H](NC(=O)Cc3ccoc3)C2)n1 1043921825 PDBIEKVPGHOEBW-NEPJUHHUSA-N 313.317 -0.150 30 20 DBED C=CCN1CC[C@@H](N2CC(N(C)C(=O)[C@@H]3CCN(C)C3)C2)C1=O 1044292089 IWPDIQYNUALLRQ-UKRRQHHQSA-N 320.437 -0.132 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)C2CN(C(C)=O)C2)C1 1044456819 ZODOPNLNSFAUIQ-UHFFFAOYSA-N 323.393 -0.634 30 20 DBED Cc1nc(CC(=O)N2CC(O)(CNC(=O)[C@H](C)C#N)C2)cs1 1045555642 TXJWDGMQSWRKJD-SECBINFHSA-N 322.390 -0.157 30 20 DBED CO[C@H](C)C(=O)N(C)[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1O 1048415057 RLKTUOKVTLKLOA-ICCXJUOJSA-N 320.349 -0.435 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCNC2=O)C1 1049163085 DMCPZWRKDMBNDM-WOPDTQHZSA-N 309.366 -0.881 30 20 DBED CN1C(=O)CN(CC(=O)N2CCC[C@@H]3[C@@H]2CCN3CC#N)C1=O 1049839083 HACWJAYAYDXRME-NEPJUHHUSA-N 319.365 -0.531 30 20 DBED C[C@@H]1[C@@H](NC(=O)Cn2cnnn2)CCN1c1nccnc1C#N 1050061216 NDJCCTFMHRSVFM-ZJUUUORDSA-N 313.325 -0.882 30 20 DBED C[C@@H]1[C@@H](NC(=O)[C@H]2COC(=O)N2)CCN1c1ccnc(C#N)n1 1050215846 XQPAVWNJRGLZFW-KXUCPTDWSA-N 316.321 -0.460 30 20 DBED CCCCN1CCOC[C@@H]1C(=O)NC[C@@H]1COCCN1CC#N 1051043142 JLLRNLIEDHUPMD-HUUCEWRRSA-N 324.425 -0.172 30 20 DBED N#CCN1CCN([C@@H]2CCN(C(=O)CO[C@H]3CCOC3)C2)CC1 1052027208 YRLVJFPBSVNDTQ-CABCVRRESA-N 322.409 -0.466 30 20 DBED N#CCN1CCN([C@H]2CCN(C(=O)C[C@H]3CCNC3=O)C2)CC1 1052036534 OKQPERWFDPJSAH-KGLIPLIRSA-N 319.409 -0.745 30 20 DBED Cn1c(=O)ccn(CC(=O)N[C@H]2CCCN(CC#N)CC2)c1=O 1052430257 RNANMNXBDUARTE-LBPRGKRZSA-N 319.365 -0.959 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)[C@@H]1COCCN1C)CCO2 1053228788 TWRKMPGUUQTBCH-AWEZNQCLSA-N 307.394 -0.747 30 20 DBED CC(=O)N1CC[C@@](C)(C(=O)N2CCOC3(CN(CC#N)C3)C2)C1 1053500983 HIQMPEOLTLFGLG-OAHLLOKOSA-N 320.393 -0.318 30 20 DBED C=CCN1CC2(CC[C@@H](CNC(=O)[C@@H]3CC(=O)NC(=O)N3)O2)C1 1053670755 VDZFYTLNAWNNCQ-QWRGUYRKSA-N 322.365 -0.880 30 20 DBED CC(C)(C)n1nnc(C(=O)N[C@H]2COC3(C2)CN(CC#N)C3)n1 1053807897 RTRSSESQEIVYJS-SNVBAGLBSA-N 319.369 -0.475 30 20 DBED N#Cc1cncc(N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)Cn2nccn2)n1 1055114521 JALMUOYSVVOWMR-AGIUHOORSA-N 324.348 -0.134 30 20 DBED CNC(=O)NCCC(=O)N1C[C@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2C1 1055319983 MUGXCOJGDUJIQW-SDDRHHMPSA-N 321.381 -0.618 30 20 DBED N#Cc1cncc(N2C[C@H]3C(NC(=O)[C@H]4COC(=O)N4)[C@@H]3C2)n1 1056195485 URADZPMIDDVUDR-OPRDCNLKSA-N 314.305 -0.993 30 20 DBED C=CCCO[C@@H](C)C(=O)N1C[C@@H]2CCCN(C(=O)C(N)=O)[C@@H]2C1 1056711287 MRUOLPMAWXYZAH-RWMBFGLXSA-N 323.393 -0.098 30 20 DBED C=C[C@@](C)(CC)C(=O)NCCN(CCO)C(=O)CNC(N)=O 1056916512 XNVOANMOQMOFID-AWEZNQCLSA-N 314.386 -0.806 30 20 DBED CC[C@H](OC)C(=O)N(CCO)CCNC(=O)c1cc(C#N)c[nH]1 1057154270 UWEGQIVWPTWVRZ-ZDUSSCGKSA-N 322.365 -0.138 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)[C@H]1OCCO[C@H]1C 1057173888 IHFDLJXQCOZZKV-JSGCOSHPSA-N 314.382 -0.306 30 20 DBED Cn1nnc(C(=O)N2CCCN(c3cncc(C#N)n3)CC2)n1 1057212203 SZWZBBDNPXEQTA-UHFFFAOYSA-N 313.325 -0.776 30 20 DBED C=C[C@@](C)(O)CC(=O)N(CCO)CCNC(=O)CCOC 1057449728 HODWFUQRBBOVQH-CQSZACIVSA-N 302.371 -0.713 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)Cc1cnc[nH]1 1057524920 XAFVXBGAYIPIJU-UHFFFAOYSA-N 306.366 -0.451 30 20 DBED C=CC(C)(C)C(=O)N(CCO)CCNC(=O)c1ccc(O)nn1 1058300739 QJEWFXPJMWBWGN-UHFFFAOYSA-N 322.365 -0.055 30 20 DBED Cc1cc(N2CC[C@H](NC(=O)Cn3cnnn3)C2)c(C#N)cn1 1058307984 DJIGQKCBTSVSQP-LBPRGKRZSA-N 312.337 -0.357 30 20 DBED C[C@@]1(C(=O)N[C@@H]2CCN(c3cnc(C#N)cn3)C2)CNC(=O)C1 1058493784 CNPDBVADXBQRHP-BMIGLBTASA-N 314.349 -0.431 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)[C@H]1CN2CCC1CC2 1058656964 NRFJALYZBXBHAC-OCCSQVGLSA-N 322.409 -0.575 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)[C@@H]1CCCCC(=O)N1 1058787401 HPCONEUWIZUMFE-RYUDHWBXSA-N 324.381 -0.858 30 20 DBED CCn1cc(C(=O)N2CC[C@H](N=c3cc[nH]c(C#N)n3)C2)nn1 1058951582 SCQQGVJSMQUVRJ-JTQLQIEISA-N 312.337 -0.292 30 20 DBED Cc1cc(=N[C@H]2C[C@H](NC(=O)[C@H]3COC(=O)N3)C2)c(C#N)c[nH]1 1059212049 PGQXRZLZDPFRJP-NQBHXWOUSA-N 315.333 -0.149 30 20 DBED C[C@@H](C#N)C(=O)NCC[C@@H]1CCN(C(=O)c2nnn(C)n2)C1 1060146931 IYKOWOHGPGTALR-VHSXEESVSA-N 305.342 -0.662 30 20 DBED CC(C)C#CC(=O)NC[C@H]1COCCN1C(=O)c1cnon1 1061566868 WSBWRIGOLCZJHK-NSHDSACASA-N 306.322 -0.314 30 20 DBED C=CC(C)(C)C(=O)NC[C@H]1COCCN1C(=O)CNC(N)=O 1061751709 AQNFTAYPOFABTM-JTQLQIEISA-N 312.370 -0.790 30 20 DBED Cn1nnc(C(=O)N2CCC[C@H]2CN=c2cc[nH]cc2C#N)n1 1064989784 TWVBOHHERSATQM-NSHDSACASA-N 312.337 -0.385 30 20 DBED Cc1c(C(=O)N2CCO[C@@H](CNC(=O)[C@H](C)C#N)C2)nnn1C 1065007314 GFJACYZBGZWOCE-KOLCDFICSA-N 320.353 -0.760 30 20 DBED CC(C)C#CC(=O)N1CCO[C@@H](CNC(=O)[C@@H]2CCNC2=O)C1 1065127463 YVNINEJOPUTMEM-QWHCGFSZSA-N 321.377 -0.875 30 20 DBED CN(C(=O)[C@@H]1CCOC1)[C@H]1CN(c2nccnc2C#N)C[C@@H]1O 1065573501 ZBAATLZBJWCWMJ-WXHSDQCUSA-N 317.349 -0.607 30 20 DBED N#Cc1nccc(N2CCOC[C@H]2CNC(=O)c2ccon2)n1 1066468748 MWPXVXZOXVGBIS-SNVBAGLBSA-N 314.305 -0.029 30 20 DBED N#Cc1ccc(N2CC[C@@]3(CCCN(C(=O)C(N)=O)C3)C2)nn1 1066870415 YGZMWKAROFHOPG-HNNXBMFYSA-N 314.349 -0.348 30 20 DBED N#Cc1nccnc1NCC1CC(NC(=O)[C@H]2CNC(=O)N2)C1 1067883361 MKLCPTXRLBNBAZ-NWGYLPEXSA-N 315.337 -0.664 30 20 DBED C[C@H]1C[C@H](CNc2cnc(C#N)cn2)CN1C(=O)CC(N)=O 1068304129 WYHWQRSBJNARNJ-VHSXEESVSA-N 302.338 -0.127 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(C1)CN(C(=O)[C@@H](C)CC(N)=O)CCO2 1068423766 UYKZGYPSRRQSFN-QWRGUYRKSA-N 322.365 -0.903 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(C[C@H](NC(=O)CC3(O)CCC3)CO2)C1 1068854555 DUVDPKCMFURHGF-RYUDHWBXSA-N 321.377 -0.063 30 20 DBED C#CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2cncn2C)C1 1069971684 BGEFTQVKBGFZFO-OCCSQVGLSA-N 313.365 -0.310 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)c2ccn(C)n2)CCOCC1 1070122059 KBSNETRDDXKTTO-LLVKDONJSA-N 319.365 -0.025 30 20 DBED C#CCN[C@@H]1CN(C(=O)CC2OCCCO2)C[C@@H]1n1ccnn1 1070182035 PXXINURRVKHZIO-OLZOCXBDSA-N 319.365 -0.594 30 20 DBED C=CCN[C@@H]1CN(C(=O)[C@H]2CCNC2=O)C[C@H]1c1cn(C)cn1 1070520749 GLESVGHKXFPTKL-SGMGOOAPSA-N 317.393 -0.374 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)[C@@H]4[C@H]5COC[C@H]54)C[C@@]3(C1)O2 1070839544 LSSOYIWVVOXJHT-FYSKXKITSA-N 302.374 -0.186 30 20 DBED CCO[C@@H]1C[C@H]1C(=O)N1CCC(=O)NCCN(CC#N)CC1 1070940435 GEMMFEPPWURXME-CHWSQXEVSA-N 308.382 -0.415 30 20 DBED C[C@H]1CN(C(=O)CN2CCCC2=O)C[C@H]1NC(=O)C#CC1CC1 1071556381 IZQQCEYNFPNMET-GXTWGEPZSA-N 317.389 -0.015 30 20 DBED C#CCNC(=O)CC(=O)NC1(C)CCN(C(=O)CCOC)CC1 1072809117 FMHDZDUUBMLJFA-UHFFFAOYSA-N 323.393 -0.340 30 20 DBED C=C[C@H](CC)CC(=O)N1CCC(O)(CNC(=O)C(N)=O)CC1 1074684722 LNJYTYWUQPLPJH-LLVKDONJSA-N 311.382 -0.456 30 20 DBED C=CCOCC(=O)NCC[C@H](C)NC(=O)[C@H]1CN(C)CCO1 1075917732 HAISLZTVVKOROD-QWHCGFSZSA-N 313.398 -0.469 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)c1ccncc1 1076219883 GMCVQMOPKUOYAE-LBPRGKRZSA-N 316.361 -0.154 30 20 DBED C#CCOCCC(=O)N1CC(N(CC)C(=O)[C@H]2CCC(=O)N2)C1 1079486581 FERBCSULHKLIOK-CYBMUJFWSA-N 321.377 -0.636 30 20 DBED C#CCNC(=O)CC(=O)N(CC)C1CN(C(=O)[C@@H](C)COC)C1 1079644766 RWAFMGYXBOINNF-LBPRGKRZSA-N 323.393 -0.532 30 20 DBED C#CCCCC(=O)N1C[C@H](CNC(=O)Cn2cccn2)[C@@H](O)C1 1081253398 GFLRXPLCIMXCAN-KBPBESRZSA-N 318.377 -0.378 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2cc(C)no2)C[C@H]1O 1081343933 JTNAVQCEMNAEHM-NWDGAFQWSA-N 323.349 -0.265 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2cc(C)[nH]n2)C[C@@H]1O 1081344492 QQTIVNYCPWNILL-AAEUAGOBSA-N 322.365 -0.530 30 20 DBED CC[C@@H](C(N)=O)N1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@H](OC)C1 1081563211 DMGPSALPAGOORI-FRRDWIJNSA-N 319.365 -0.421 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)C1CN(C(C)=O)C1 1083063601 SDPNGHWZFGZNQW-LSDHHAIUSA-N 305.378 -0.600 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@H]2CC(=O)N(C(C)C)C2)C1 1083503997 LAKDDGPFUXZHCL-MJBXVCDLSA-N 307.394 -0.572 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2cnn(-c3cccnc3)c2)C1 1083520474 LGEXXDWNCDWQJJ-KGLIPLIRSA-N 312.333 -0.434 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)c2cc3n(n2)CCO3)C1 1083527633 CVNJBUUBEMNVDL-MNOVXSKESA-N 312.757 -0.197 30 20 DBED C[C@@H]1CCn2ncc(C(=O)N[C@@H]3CN(CC#N)C[C@@H]3O)c2C1 1084005032 FGTZDIFNLOXWMT-QKCSRTOESA-N 303.366 -0.236 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)[C@H](C2CC2)N2CCOCC2)C1 1084079900 XWEXQQXGDKSWBX-PMPSAXMXSA-N 323.437 -0.165 30 20 DBED C=CCN[C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1c1cnn(C)c1 1086977359 PGQJJYDEVOXBAB-QWHCGFSZSA-N 315.381 -0.068 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cc(O)nc(C3CC3)n2)[C@H](O)C1 1090341405 HZDAJQOIQGXFLL-WCQYABFASA-N 316.361 -0.142 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2cn(C)nc2COC)[C@@H](O)C1 1090371571 LRIZYUCXHTWSPA-ZFWWWQNUSA-N 320.393 -0.245 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2cnn3cccnc23)[C@@H](O)C1 1090478265 FCFJJPQLWVQLFO-KGLIPLIRSA-N 313.361 -0.082 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2cnn(CCOC)c2)[C@@H](O)C1 1090767143 HWHSJBPZPVYDMX-GJZGRUSLSA-N 320.393 -0.282 30 20 DBED N#Cc1ccc(N2C[C@H]3[C@H](NC(=O)CCNC(N)=O)[C@H]3C2)nc1 1093266583 AZWNAHVHTMUPGC-YABSGUDNSA-N 314.349 -0.438 30 20 DBED CCc1nc(C#N)cc(NCCNC(=O)[C@H]2CCNC2=O)n1 1094034769 PIBOGBOTEUWEOH-JTQLQIEISA-N 302.338 -0.425 30 20 DBED CCc1nc(C#N)cc(NCCCNC(=O)CC(=O)NC)n1 1094376299 AHAPPCPXRAZKOG-UHFFFAOYSA-N 304.354 -0.035 30 20 DBED COC(=O)NCC(=O)NC1CCN(c2ccc(C#N)nn2)CC1 1095394506 OOQKOYPKFGCIAC-UHFFFAOYSA-N 318.337 -0.211 30 20 DBED CN(CCCNC(=O)c1cc(=O)n(C)o1)c1ccnc(C#N)n1 1095542447 RTIIHQWOBTXOLS-UHFFFAOYSA-N 316.321 -0.104 30 20 DBED C#CCCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cn1ncn(C)c1=O 1095649454 WXNFSBHKRJJULC-AGIUHOORSA-N 303.366 -0.673 30 20 DBED CC(=O)N(C)CC(=O)N[C@@H]1CCN(c2ccc(C#N)nn2)C1 1096328785 JDLZTGVZYKOPHN-GFCCVEGCSA-N 302.338 -0.479 30 20 DBED N#Cc1cnccc1N1CC[C@@H](NC(=O)CCn2cnnn2)C1 1096413523 BLHQIPUUDKPLEG-GFCCVEGCSA-N 312.337 -0.275 30 20 DBED CNC(=O)C1(C(=O)NC[C@H](C)N=c2cc[nH]c(C#N)n2)CC1 1097938313 HIIATLVUXAMXCR-VIFPVBQESA-N 302.338 -0.787 30 20 DBED C[C@H](CNC(=O)CCc1cnn(C)n1)N=c1cc[nH]c(C#N)n1 1098262434 GKRQODCFOGQTQF-SNVBAGLBSA-N 314.353 -0.552 30 20 DBED C[C@@H](CCNC(=O)[C@H]1CCCC(=O)N1)N=c1cc[nH]c(C#N)n1 1099582550 VMUSABTXRQYJKT-WDEREUQCSA-N 316.365 -0.254 30 20 DBED CCN(CC)C(=O)CN1CC[C@@H](NC(=O)C#CC2CC2)[C@H](O)C1 1099826018 FHAHBBGAVUSISQ-HUUCEWRRSA-N 321.421 -0.180 30 20 DBED C#CCN1CC[C@H](NC(=O)CCc2cnn(C)c2C)[C@@H](O)C1 1099853531 SALZICGCYQGXBQ-GJZGRUSLSA-N 304.394 -0.154 30 20 DBED C#CCN1CC[C@@H](NC(=O)CCc2ccnc(C)n2)[C@H](O)C1 1099930369 FEXADLOWDWIFIE-HUUCEWRRSA-N 302.378 -0.098 30 20 DBED CC#CCCCC(=O)N[C@H]1CCN(CC(=O)NCC#N)C[C@H]1O 1099960197 PWGCTABFSAQLPD-UONOGXRCSA-N 320.393 -0.629 30 20 DBED CC#CCN1CC[C@H](NC(=O)COc2cnn(C)c2)[C@H](O)C1 1099972597 ZCFRMIOZUZTBLW-UONOGXRCSA-N 306.366 -0.626 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CCN(CCOCCO)C[C@H]2O)C1 1099994642 UWOGWTDVTRTLHW-ZIAGYGMSSA-N 312.410 -0.097 30 20 DBED C=CCCCN1CC[C@@H](NC(=O)C2CC(=O)NC(=O)C2)[C@H](O)C1 1100029194 KLJWIJVYOJNTMI-CHWSQXEVSA-N 323.393 -0.443 30 20 DBED CC(C)(C)S(=O)(=O)CC(=O)N[C@H]1CCN(CC#N)C[C@H]1O 1100076652 ORLZYVDPLNZWLG-WDEREUQCSA-N 317.411 -0.725 30 20 DBED CN(CCNC(=O)[C@@H]1CCCNC1=O)c1nccnc1C#N 1100185234 POQNVJDOJCQXFW-SNVBAGLBSA-N 302.338 -0.573 30 20 DBED COC[C@@H](OC)C(=O)N[C@@H]1CC2(CN(CC#N)C2)n2ccnc21 1101641760 ZGQWQIWAFFBYIU-VXGBXAGGSA-N 319.365 -0.360 30 20 DBED CC[C@H](CNC(=O)Cn1ncnn1)Nc1ccc(C#N)nc1 1103208277 YSCQHWYEJZMTFK-SNVBAGLBSA-N 300.326 -0.053 30 20 DBED C[C@H](NC(N)=O)C(=O)N1CCC[C@@H]1CNc1ccc(C#N)nn1 1103800909 IBUWCYWIFBAQAZ-GXSJLCMTSA-N 317.353 -0.192 30 20 DBED C[C@H](CNC(=O)[C@@H]1CN(C)CCO1)CNc1cncc(C#N)n1 1103889704 FYNQZIXPBOXAMC-AAEUAGOBSA-N 318.381 -0.157 30 20 DBED C[C@H](CNc1cncc(C#N)n1)N(C)C(=O)CS(C)(=O)=O 1104497489 GAAYVJFUSHIGJA-SECBINFHSA-N 311.367 -0.348 30 20 DBED C[C@@H]1CN(C(=O)CNC(N)=O)CC[C@@H]1Nc1nccnc1C#N 1105029953 LAFWVJKDRSARTF-ZJUUUORDSA-N 317.353 -0.335 30 20 DBED C#CCCNCc1cn(C2CN(C(=O)[C@H](C)NC(C)=O)C2)nn1 1105146469 FJQAJZXUDCKVOM-NSHDSACASA-N 318.381 -0.701 30 20 DBED C#CCNCc1cn(C2CN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)nn1 1105332158 ZAOSGEXXIOXHDL-KFWWJZLASA-N 315.377 -0.048 30 20 DBED C=CCNCc1cn(C2CN(C(=O)[C@@H](CC)NC(C)=O)C2)nn1 1105333972 SGCFEVDRVXPYLT-CQSZACIVSA-N 320.397 -0.148 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H](O)CNC(=O)c1cccc(O)n1 1105775900 LNWZULMWIOWHDF-LLVKDONJSA-N 313.317 -0.321 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@@H](O)CN=c2cc[nH]c(C#N)n2)c1 1105808201 JLRQASGNCFNTHH-JTQLQIEISA-N 311.305 -0.827 30 20 DBED CC[C@H](C(=O)NC[C@H](O)CNc1nccnc1C#N)N(C)C 1105926201 PITYUYDGBZWPBO-ZYHUDNBSSA-N 306.370 -0.423 30 20 DBED C[C@@H]1CN(C(=O)C2=CCOCC2)C[C@H]1CNCC(=O)NCC#N 1106043780 VZPIBBSJZBISCB-TZMCWYRMSA-N 320.393 -0.343 30 20 DBED Cc1n[nH]cc1C(=O)NC[C@H](O)CNc1cnc(C#N)cn1 1106063340 ZMMNQJYKRVAIBO-SNVBAGLBSA-N 301.310 -0.417 30 20 DBED C[C@@H]1CCCN1CC(=O)NC[C@H](O)CNc1cnc(C#N)cn1 1106108664 MQTZIFBVHUAHBO-DGCLKSJQSA-N 318.381 -0.278 30 20 DBED C[C@@H]1CCO[C@@H]1C(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1 1106122267 WZDCBBMKHRYVKS-BREBYQMCSA-N 305.338 -0.916 30 20 DBED Cc1nnccc1C(=O)NC[C@@H](O)CNc1cncc(C#N)n1 1106173396 QNQXKZVQUGMNOM-NSHDSACASA-N 313.321 -0.351 30 20 DBED CCNC(=O)CC(=O)NC/C=C/CNc1ccc(C#N)nn1 1107131225 JYKUBHSQKPASMY-ONEGZZNKSA-N 302.338 -0.041 30 20 DBED C#CCO[C@@H](C)C(=O)NCc1cn(C2CN(C[C@@H](C)O)C2)nn1 1107169727 QEBOMWSQYILILC-NEPJUHHUSA-N 321.381 -0.830 30 20 DBED C#CCCN1CC(n2cc(CNC(=O)[C@H](C)OCC#C)nn2)C1 1107169866 XDJRETDBILZZSI-ZDUSSCGKSA-N 315.377 -0.187 30 20 DBED C=CCCN1CC(n2cc(CNC(=O)CCCC(N)=O)nn2)C1 1107241903 JNXASSIPPFTJNO-UHFFFAOYSA-N 320.397 -0.017 30 20 DBED C[C@H](CNc1ccc(C#N)nn1)NC(=O)[C@@H]1CCN(C)C1=O 1108071779 PQJDILRYVJTQBR-KOLCDFICSA-N 302.338 -0.257 30 20 DBED C=C(C)CN1CC(N2C[C@H](NC(=O)CC(=O)NCC)CC2=O)C1 1108538240 FOYJQRQPQBWRRH-GFCCVEGCSA-N 322.409 -0.510 30 20 DBED CCc1nc(C#N)cc(N(C)C[C@H](C)NC(=O)CNC(C)=O)n1 1108811650 JWLWJNPUEXYCJP-JTQLQIEISA-N 318.381 -0.012 30 20 DBED CN(CCCNc1nccnc1C#N)C(=O)Cn1ncnn1 1109528273 KHYGANJTPNECLI-UHFFFAOYSA-N 301.314 -0.705 30 20 DBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H]1[C@H]2COC[C@H]21 1109624939 JSUIUSKYBDQVRA-BSOITMSTSA-N 318.377 -0.760 30 20 DBED C[C@H](C(=O)NCC1(Nc2ccnc(C#N)n2)CC1)S(C)(=O)=O 1110390834 GICINFZOZORUAM-SECBINFHSA-N 323.378 -0.158 30 20 DBED CO[C@H](C)CC(=O)NC[C@]1(O)CCN(c2ccnc(C#N)n2)C1 1111045610 OSVKYOZLUDYQNG-IAQYHMDHSA-N 319.365 -0.169 30 20 DBED Cc1n[nH]cc1C(=O)N(CCO)CCNc1cnc(C#N)cn1 1111533529 FSWMCCJRJYNRBJ-UHFFFAOYSA-N 315.337 -0.074 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H]2CCC[C@]2(CNC[C@H](C)O)C1 1112311841 IIHJPXQRQRWFOQ-ZQIUZPCESA-N 321.421 -0.275 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)c2cnc(C)[nH]2)CC1 1112710686 GHLCAAOVJBNUJA-NSHDSACASA-N 303.366 -0.386 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)c2cccc(O)n2)CC1 1112744969 DPXPCVFINIMNBQ-LBPRGKRZSA-N 316.361 -0.317 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)c2ccnn2CC)CC1 1112787639 ACVVVMOXKHATLB-ZDUSSCGKSA-N 317.393 -0.201 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)Cc2cncnc2)CC1 1112804354 KMUZWXSYDGKVJG-CYBMUJFWSA-N 315.377 -0.699 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)[C@H](C)Nc1nccnc1C#N 1112977741 FLUAUEMQGXXQTF-MNOVXSKESA-N 314.349 -0.207 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)CCCN(C)C(C)=O)CC1 1113589771 CXPJOZXCCZMSFF-UHFFFAOYSA-N 324.425 -0.309 30 20 DBED C[C@H](CNC(=O)[C@H]1COC(=O)N1)N(C)c1ccc(C#N)nn1 1113590352 BRDXJFBDXDEIQL-PSASIEDQSA-N 304.310 -0.602 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCCC(=O)N1)N(C)c1ccnc(C#N)n1 1113749028 JPRZEPTXLJBORY-WDEREUQCSA-N 316.365 -0.042 30 20 DBED COC[C@H](OC)C(=O)NC[C@H](C)N(C)c1cnc(C#N)cn1 1113857569 MCCNWSWCEILKKB-JQWIXIFHSA-N 307.354 -0.049 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)COCC3CC3)[C@@H]2C1 1113922133 JGPPUHISCKMDIP-CHWSQXEVSA-N 305.378 -0.791 30 20 DBED COCC#CCN1C[C@@H]2C(NC(=O)CN(C)C(=O)C3CC3)[C@H]2C1 1114363654 HUYMPXKVPVNORS-KBPBESRZSA-N 319.405 -0.449 30 20 DBED CC(C)CONC(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1117360533 YPTSKIOVEBTSLB-VAWYXSNFSA-N 324.337 -0.667 30 20 DBED C=CCN1CCC(NC(=O)C(=O)NCc2nonc2C)CC1 1119069908 FPMRIJQRMZDYTH-UHFFFAOYSA-N 307.354 -0.239 30 20 DBED C=C[C@@H](COC)NC(=O)N1CCN(S(=O)(=O)CC)CC1 1119599458 GGWPNSYDIPGCLV-NSHDSACASA-N 305.400 -0.136 30 20 DBED C#CCCCn1nnnc1N1CCC(S(=O)(=O)NC)CC1 1120155524 FIWWBHGEBJVKFO-UHFFFAOYSA-N 312.399 -0.396 30 20 DBED Cc1nc(N[C@H](CO)CNC(=O)[C@H]2COCCO2)ccc1C#N 1121144721 UOBSCSSBZZMPEJ-QWHCGFSZSA-N 320.349 -0.434 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](CO)Nc1ncnc2c1cnn2C 1121213258 PCHSCEOZBFHVBT-BDAKNGLRSA-N 303.326 -0.588 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H](CO)Nc2nccnc2C#N)cn1 1121848357 WOEOSVPACKHKEM-ZDUSSCGKSA-N 322.328 -0.073 30 20 DBED N#Cc1cnc(N[C@H](CO)CNC(=O)Cc2cncs2)cn1 1122152863 KZUJFQGEWTZTSV-JTQLQIEISA-N 318.362 -0.064 30 20 DBED Cc1cnn(C)c1C(=O)NC[C@H](CO)Nc1cnc(C#N)cn1 1122341327 GRWUFDRECJUYPC-LLVKDONJSA-N 315.337 -0.407 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)c2csnn2)nn1 1122362936 BOJLALMKCRTDCC-QMMMGPOBSA-N 305.323 -0.597 30 20 DBED CN(C)CCC(=O)N(C)C[C@H](O)CN(C)c1cnc(C#N)cn1 1125254307 MIBWQFLWXAYXDO-CYBMUJFWSA-N 320.397 -0.445 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN([C@H](C)C(N)=O)C[C@@H]1n1ccnn1 1128972008 SHSUWKBPPSTOQC-UPJWGTAASA-N 318.381 -0.847 30 20 DBED CO[C@H]1C[C@@H](c2n[nH]c(CNC(=O)[C@H](C)C#N)n2)N(CC#N)C1 1130258101 KLQVEKZNBVNSMR-VWYCJHECSA-N 317.353 -0.134 30 20 DBED C=CCNC(=O)CNCCNC(=O)CCOCC(F)(F)F 1130682088 BCFPKHUVFXGPOQ-UHFFFAOYSA-N 311.304 -0.037 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)c1c[nH]nc1CC 1130724499 SSDJRVNAPNKLAJ-UHFFFAOYSA-N 322.369 -0.697 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CCCN(C(C)=O)C1 1131016506 KCHMBXMQGNYDLX-OCCSQVGLSA-N 322.409 -0.911 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H]2C[C@@H]3CN(CCC)C[C@]2(C1)O3 1131220685 OUXQDWQVLOZHID-JJRVBVJISA-N 319.405 -0.162 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)CN(CC)CC)CC1 1131388515 PIQGEFFFIHQXGM-UHFFFAOYSA-N 308.426 -0.388 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1c(C)cc(C)nc1O 1132062016 PMOOKFCKDYVQRL-LBPRGKRZSA-N 318.377 -0.139 30 20 DBED C[C@H]1CC[C@H](NC(=O)c2ncccn2)CN1CC(=O)NCC#N 1132376261 LXFAJPBCWAUQKR-RYUDHWBXSA-N 316.365 -0.301 30 20 DBED C#CCN1C[C@@H](NC(=O)CN(C)S(=O)(=O)CC)CC[C@H]1C 1132392545 MESBYLKTKMDYDA-OLZOCXBDSA-N 315.439 -0.130 30 20 DBED COCC#CCNCCNC(=O)[C@H]1COCCN1C1CCCC1 1132784070 GUMNGYWVKHXPJX-MRXNPFEDSA-N 323.437 -0.015 30 20 DBED C#CCNC[C@@H]1CN(C(=O)CCS(=O)(=O)NC)CC[C@H]1C 1132828656 WNVMMGFNQOITHI-CHWSQXEVSA-N 315.439 -0.367 30 20 DBED C#CCCN[C@H](C)C[C@@H](C)NC(=O)CCn1ncn(C)c1=O 1135070095 IHEHGRNPBMKLKW-CHWSQXEVSA-N 307.398 -0.132 30 20 DBED C[C@H](C[C@@H](C)NC(=O)CCn1ccnc1)NCC(=O)NCC#N 1135132837 VDPJRLVBRONMOP-CHWSQXEVSA-N 320.397 -0.214 30 20 DBED C[C@@H](C[C@@H](C)NCC#N)NC(=O)c1cn(C)c(=O)n(C)c1=O 1135613695 HMUOCYZQVFEKRS-ZJUUUORDSA-N 307.354 -0.906 30 20 DBED C#CCCN[C@@H](C)C[C@@H](C)NC(=O)CN1C(=O)CN(C)C1=O 1136128787 ADFIPFUZMCTWES-NWDGAFQWSA-N 308.382 -0.223 30 20 DBED C#CCN1CCC2(C1)CN(C(=O)[C@H](CCC)S(N)(=O)=O)C2 1147985471 IFKMLBHTEKAARH-LBPRGKRZSA-N 313.423 -0.389 30 20 DBED CC(C)=CC(=O)NC[C@@H]1CN(CC(=O)NCC#N)CCCO1 1149115680 AXAHTTJMBVCLKQ-CYBMUJFWSA-N 308.382 -0.201 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN([C@H]2CCNC2=O)CCCO1 1149384793 XFCPCJKXUKUMQX-OLZOCXBDSA-N 311.382 -0.715 30 20 DBED COCC#CCN1CCCO[C@H](CNC(=O)[C@@H]2CCC(=O)N2)C1 1150607931 XOWASFXWPCDOLP-KGLIPLIRSA-N 323.393 -0.878 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)CCc1cscn1 1153291314 DQMALJBZTQMEAS-LLVKDONJSA-N 308.407 -0.081 30 20 DBED CCN(CC#CCOC)[C@H](C)CNC(=O)CCn1cnnn1 1155999771 DIJIYTXHSKMCSZ-CYBMUJFWSA-N 308.386 -0.460 30 20 DBED C[C@@H](NCCCNC(=O)c1cc(C#N)c[nH]1)c1nnnn1C 1156282369 UIBNVLJLQMPNSI-SECBINFHSA-N 302.342 -0.119 30 20 DBED C#CCO[C@H](C)C(=O)NCCCNCc1nnnn1C1CC1 1157869839 SUAGUKYMGUXKLE-LLVKDONJSA-N 306.370 -0.358 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)[C@@H]1CCC(=O)N1C 1164158233 XCLROVWWVVLKEV-NEPJUHHUSA-N 310.398 -0.606 30 20 DBED C[C@H](CCCCNCC(=O)NCC#N)NC(=O)c1cccnn1 1175837922 IYNGOWRLKLUZAK-GFCCVEGCSA-N 318.381 -0.005 30 20 DBED C#CCNC(=O)CNCCCC[C@H](C)NC(=O)Cc1nc[nH]n1 1176097161 VSCGAIMQJNROGU-LBPRGKRZSA-N 320.397 -0.639 30 20 DBED C=CCNC(=O)CNCCCCCCNC(=O)Cn1cnnn1 1177877800 NDWWOZRPJXERAX-UHFFFAOYSA-N 323.401 -0.759 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H](C)n2cncn2)C1 1182074916 WBGVXHSQCSXEBQ-NWDGAFQWSA-N 306.370 -0.668 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)c2cn(CCOC)nn2)C1 1182466346 NNMURZZQNYSGFE-CYBMUJFWSA-N 321.381 -0.622 30 20 DBED C#CCNC(=O)CNC[C@@H]1CCN(C(=O)c2cc[nH]n2)C[C@@H]1C 1183898949 NVQFFAAGOUNZCF-STQMWFEESA-N 317.393 -0.153 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](NCC(=O)NC(=O)NC)C1 1185759569 XNMLJUWUZJUYAS-UTUOFQBUSA-N 324.381 -0.776 30 20 DBED CC#CCN[C@@H]1CCN(C(=O)[C@H]2CCc3nnnn3CC2)C1 1185775788 KFQQFLQODPKLGZ-QWHCGFSZSA-N 302.382 -0.161 30 20 DBED CC#CCN1C[C@@H]2CCN(C(=O)[C@H](C)NC(=O)COC)[C@@H]2C1 1187996152 BLRRXDBAGRLCOD-MELADBBJSA-N 307.394 -0.307 30 20 DBED CCN(CCC#N)C(=O)CN(C)[C@H]1CCN(C(=O)CC(N)=O)C1 1189490459 VITZANSEVSUGNU-LBPRGKRZSA-N 323.397 -0.843 30 20 DBED C=CCNC(=O)[C@@H](C)N(C)[C@@H]1CCN(C(=O)c2[nH]nnc2C)C1 1191675596 ZFLZWUCOWYEQKH-VXGBXAGGSA-N 320.397 -0.050 30 20 DBED C=C(C)CCN(C)[C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 1191697391 UIUYNHKEIVVQMC-CQSZACIVSA-N 308.426 -0.083 30 20 DBED C[C@]1(C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@H]2O)C=CCC1 1195318422 IBESXBHNCGKTKR-JMSVASOKSA-N 306.366 -0.856 30 20 DBED N#CCNC(=O)CN1CCCN(C(=O)CC[C@@H]2CCOC2)CC1 1195459166 GPDBGFQYKPCFRG-CQSZACIVSA-N 322.409 -0.023 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCCN(C(=O)c2cnn[nH]2)CC1 1196401665 SRWLBIGNUJNRFL-LLVKDONJSA-N 304.354 -0.910 30 20 DBED C=CCOCC(=O)N1CCCO[C@@H](CN[C@H]2CCNC2=O)C1 1200108912 LMDQEDXYDFOMDZ-STQMWFEESA-N 311.382 -0.715 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)C[C@H]2CCNC2=O)CCCO1 1200680133 KPNIDFQNVAAZGW-ZIAGYGMSSA-N 307.394 -0.257 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2C)CCCO1 1201239734 KJAXWBWHQCOYER-ZIAGYGMSSA-N 307.394 -0.162 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)c2cn(C)c(O)n2)CCCO1 1201318246 MMKYUDOKAFIJPQ-GFCCVEGCSA-N 306.366 -0.030 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2cncs2)[C@H](C)C1 1206267606 LXQSEKCUUUOVBI-GHMZBOCLSA-N 306.391 -0.057 30 20 DBED C=CCOCCN1C[C@@H](NC(=O)[C@@H]2COCCN2C)[C@H](C)C1 1206881330 YHEWHPUVGYHNEE-KFWWJZLASA-N 311.426 -0.044 30 20 DBED COCC#CCN[C@H]1CCCN(C(=O)c2cnn(C)c2N)C1 1207870213 SZPYNTBQGBQWHG-LBPRGKRZSA-N 305.382 -0.154 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC[C@@H](NCCN2CCNC2=O)C1 1208025999 VYLGIWDSDNOUHL-ZIAGYGMSSA-N 322.409 -0.370 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)[C@H]2CCC(=O)NC2)C1 1208473842 FMIYQPPXWPEIFL-STQMWFEESA-N 322.409 -0.605 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2ccon2)C[C@H]1C 1214222612 ICZVNAJUKYOTNJ-NTZNESFSSA-N 304.350 -0.137 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)C=C(C)C 1217220034 XBKXLCCOXGCMCY-UONOGXRCSA-N 305.378 -0.386 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)c2ccco2)C1 1219100393 JMFACXQUGIUMLW-TUAOUCFPSA-N 305.334 -0.808 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2ccnc(OCCOC)c2)C1 1219613534 KSRZTFHGCQQWTN-KGLIPLIRSA-N 319.361 -0.485 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)C[C@H](C)N2CCCCC2=O)C1 1219628740 PQISANQRFCGMNF-MJBXVCDLSA-N 307.394 -0.428 30 20 DBED C[C@@H](NC(=O)CC(F)(F)F)C(=O)N[C@@H]1CN(CC#N)C[C@@H]1O 1219682037 BCGVBPTUJHWZJM-HLTSFMKQSA-N 322.287 -0.872 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@H](CCC)C(C)C)C1 1220451546 FJXLBIAJNCMLLN-KFWWJZLASA-N 323.437 -0.031 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@@H](C)NC(=O)C2CCC2)C1 1221185235 BJFSYJMBOKVWFN-BNOWGMLFSA-N 307.394 -0.524 30 20 DBED Cn1cccc1C(=O)NC1CCN(CC(=O)NCC#N)CC1 1226047679 LMXCCXNPKYCJMV-UHFFFAOYSA-N 303.366 -0.141 30 20 DBED C=CCNC(=O)[C@H](C)N1CCC(NC(=O)[C@H](C)CC(N)=O)CC1 1228588799 HBTBZRKWYXJSSR-NEPJUHHUSA-N 324.425 -0.231 30 20 DBED COCC#CCN1CCS(=O)(=O)[C@H](CCNC(C)=O)C1 1230403716 FDZYJPVWBAQJGF-CYBMUJFWSA-N 302.396 -0.739 30 20 DBED CC(C)(O)CC(=O)NCC[C@@H]1CN(CC#N)CCS1(=O)=O 1230455161 NWHZQNLTHHNLRD-LLVKDONJSA-N 317.411 -0.724 30 20 DBED C=CCNC(=O)CN1CC[C@H]1CN(C)C(=O)[C@H]1CC(=O)N(C)C1 1234634870 RSBLYJREXOZOPA-STQMWFEESA-N 322.409 -0.700 30 20 DBED C#CCCCCNC(=O)C(=O)NCCCN1C(=O)CCC1=O 1259790322 BZZDNISCIPNNME-UHFFFAOYSA-N 307.350 -0.439 30 20 DBED C=CCn1nnnc1N1CCN(C(=O)CN2CCCC2)CC1 1262210007 IVTVTHAVRXQDFX-UHFFFAOYSA-N 305.386 -0.397 30 20 DBED C=CCCO[C@H](C)C(=O)N[C@@H]1CCN(CC(=O)NC(N)=O)C1 1318318856 CMLJRASQCPBTHI-GHMZBOCLSA-N 312.370 -0.647 30 20 DBED CCN(CCCO)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1318964394 QONWDXQFCRVALI-OUKQBFOZSA-N 310.354 -0.073 30 20 DBED C[C@H](CNC(=O)C(=O)Nc1cnn(CC#N)c1)N1CCCC1 1319349353 AZXKCEFOEDICIF-LLVKDONJSA-N 304.354 -0.054 30 20 DBED C=CCCCCNC(=O)C(=O)Nc1ncn(CC(=O)N(C)C)n1 1320345488 OBRMBWXAMDMBFD-UHFFFAOYSA-N 322.369 -0.223 30 20 DBED C#CCC[C@H](O)CNC(=O)Cc1c(C)[nH]c2ccnn2c1=O 1321652123 DBTPUMCQRHNDRO-NSHDSACASA-N 302.334 -0.236 30 20 DBED C#C[C@@H](NC(=O)C(=O)N1CC(OCCOCC)C1)[C@@H]1CCCO1 1323819177 GMQJXFDGMOOLHY-KGLIPLIRSA-N 324.377 -0.453 30 20 DBED CC#CCCNC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 1324768316 USXAGRMKKMHGDX-UHFFFAOYSA-N 308.426 -0.342 30 20 DBED C=CC1CCN(C(=O)C(=O)N2CCN(CCOC)C(=O)C2)CC1 1324962845 PMYAKNQIBSWOJQ-UHFFFAOYSA-N 323.393 -0.272 30 20 DBED CN(C(=O)C(=O)NCc1ccc(C#N)cc1)[C@H]1CCNC1=O 1326152444 JPIDXVGZZYORLT-LBPRGKRZSA-N 300.318 -0.479 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N[C@@H]2CC[C@H](CN)C2)nn1 1326583816 NDBMAILYRHNUMQ-WDEREUQCSA-N 306.370 -0.676 30 20 DBED Cc1nnc(CN(C)C(=O)C(=O)N2CCO[C@@H](C#N)C2)s1 1328169433 HKYIXAOOTDBIGU-VIFPVBQESA-N 309.351 -0.444 30 20 DBED C=CC(C)(C)Cn1nnnc1N1CCN(S(C)(=O)=O)CC1 1336006427 SKDBIQFXXCHWBT-UHFFFAOYSA-N 314.415 -0.033 30 20 DBED CS(=O)(=O)N1CC[C@H](CNS(=O)(=O)CCCCC#N)C1 1341082674 DSLNKBMWYSALNB-LLVKDONJSA-N 323.440 -0.119 30 20 DBED C#CCNCC(=O)NCCS(=O)(=O)CCc1ccccc1 1341084591 AKCVRBZRKJLYJF-UHFFFAOYSA-N 308.403 -0.017 30 20 DBED CC(C)(C)N1C[C@@H](NC(=O)C(=O)N2CC[C@](F)(C#N)C2)CC1=O 1343022260 LHEGDXHCWDKAIB-BONVTDFDSA-N 324.356 -0.034 30 20 DBED C=CCNC(=O)[C@@H](C#N)C(=O)c1nnn(-c2ccn(C)n2)c1C 1346088175 QYYFXHGTSMPGNX-JTQLQIEISA-N 313.321 -0.066 30 20 DBED C#CCOCCNC(=O)C(=O)N1CC[S@](=O)[C@@H](C)[C@@H]1C 1346543393 NCSZQEYVZWQFGL-MKXJDEKUSA-N 300.380 -0.880 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N[C@H](CC)CN1CCOCC1 1351435774 GGLYOGXUKYMDPT-OLZOCXBDSA-N 313.398 -0.469 30 20 DBED N#Cc1cn(CC(=O)NC[C@@H](O)c2ccccc2)c(=O)nc1O 1362124873 GTDMVQDKHPARKX-GFCCVEGCSA-N 314.301 -0.330 30 20 DBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)NC[C@H]1CNC(=O)C1 1365406674 QRVYNZTVNPKDGW-SECBINFHSA-N 319.369 -0.426 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NCC(=O)NC[C@@H]2CCCO2)CC1 1367988462 DHBSJKYXIHGWJY-RYUDHWBXSA-N 308.382 -0.320 30 20 DBED C[C@H](NC(=O)[C@H](C)C#N)C1CCN(C(=O)CCNC(N)=O)CC1 1374340316 YRJYCYHLBKINNS-MNOVXSKESA-N 323.397 -0.052 30 20 DBED CCN(CCNC(=O)[C@H](C)C#N)C(=O)CN(C)C(=O)COC 1387303507 WVYCWNBYUHHJJX-LLVKDONJSA-N 312.370 -0.784 30 20 DBED CCc1nnsc1C(=O)NC[C@H](O)CNC(=O)[C@H](C)C#N 1392129396 KTLAVLROMVUOOI-HTQZYQBOSA-N 311.367 -0.533 30 20 DBED Cc1nn(C)cc1CC(=O)N(C)C[C@@H](O)CNC(=O)[C@@H](C)C#N 1405622554 TZHWZWGIUBTFGK-GWCFXTLKSA-N 321.381 -0.634 30 20 DBED N#Cc1ccccc1CNC[C@H](O)CNC(=O)Cc1nc[nH]n1 1406274751 DYXAFUPZVMTUJJ-ZDUSSCGKSA-N 314.349 -0.514 30 20 DBED N#Cc1cn(CC(=O)NC[C@H]2CN3CCC2CC3)c(=O)nc1O 1412753445 DVRQLDTXKHJVCH-LBPRGKRZSA-N 317.349 -0.721 30 20 DBED C[C@H](C#N)C(=O)N1CCCO[C@H](CNC(=O)CCCC(N)=O)C1 1426311755 NHCNAQGLZOTNMK-VXGBXAGGSA-N 324.381 -0.465 30 20 DBED C[C@H](C#N)C(=O)N(C)C[C@H]1CCCN1C(=O)Cc1nc[nH]n1 1426318851 PCWNAGIHFWBJHP-GHMZBOCLSA-N 304.354 -0.044 30 20 DBED N#Cc1ncn(CC(=O)N2CCN(Cc3cn[nH]c3)CC2)n1 1434107826 LADMRPMSMBGUSX-UHFFFAOYSA-N 300.326 -0.783 30 20 DBED C[C@H](C#N)C(=O)N(C)CCN(C)C(=O)c1cn(C)c(=O)n1C 1452162399 QGCQLJZBJYGAKQ-SNVBAGLBSA-N 307.354 -0.586 30 20 DBED CNC(=O)NC(=O)CN1CC[C@@]2(CCN(C(=O)[C@H](C)C#N)C2)C1 1483840355 ASPQHNYQZDHBCP-IAQYHMDHSA-N 321.381 -0.474 30 20 DBED C[C@@H](C#N)C(=O)N(C)CC(C)(C)CNC(=O)C1(NC(N)=O)CC1 1486774361 DXLIGCIWHRXJDP-JTQLQIEISA-N 323.397 -0.052 30 20 DBED CNC(=O)NCCC(=O)N(C)C[C@H]1CCN1C(=O)[C@H](C)C#N 1489738141 FOCGGJKXYUHREC-GHMZBOCLSA-N 309.370 -0.476 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@@H](CNC(=O)[C@H](C)S(C)(=O)=O)C1 1514879256 ZUESMUADHYCHDL-XWLWVQCSSA-N 315.395 -0.410 30 20 DBED CCOCC(=O)NC[C@@]1(O)CCN(C(=O)c2c[nH]c(C#N)c2)C1 1537292340 JSGFFSVLOQCQCD-HNNXBMFYSA-N 320.349 -0.384 30 20 DBED N#CCNC(=O)CN1CC[C@@H](NC(=O)c2ncccc2O)C1 1567889303 WNNZLJHGKZETQK-SNVBAGLBSA-N 303.322 -0.769 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H](C)CCN=c1cc[nH]c(C(=O)O)n1 1573310932 FINAYIVRXAKBOV-MNOVXSKESA-N 320.349 -0.058 30 20 DBED C#CCO[C@H](C)C(=O)NC1(CNC(=O)CNC(=O)O)CCC1 1573311804 YUFGYRRUBKRIOD-SNVBAGLBSA-N 311.338 -0.553 30 20 DBED CC(C)N1C[C@@H](Nc2cnc(C#N)c(-c3nn[nH]n3)n2)CC1=O 1574287142 ZZQMGQDMIBZIFA-QMMMGPOBSA-N 313.325 -0.050 30 20 DBED CN(CCOCCN)C(=O)CCN/C(O)=C1/N=CC=CC1=O 1578474124 PQUJTDUSARTNJD-YPKPFQOOSA-N 310.354 -0.663 30 20 DBED C#CCN(C)CCCNS(=O)(=O)c1ccc(-c2nn[nH]n2)o1 1588349171 GFZINXJFMWDHHU-UHFFFAOYSA-N 324.366 -0.307 30 20 DBED C=CCCn1cc(C(=O)NS(=O)(=O)[C@@H](C)C(=O)O)nn1 1588817164 BTJCNFRWCUCLTE-ZETCQYMHSA-N 302.312 -0.613 30 20 DBED C[C@](C#N)(NC(=O)CN1CCNC(=O)[C@H]1CC(=O)O)C1CC1 1589323749 LNXHZIVMGQCHCD-QMTHXVAHSA-N 308.338 -0.930 30 20 DBED N#Cc1ncn(CCNC(=O)Nc2ccn(CC(=O)O)n2)n1 1594635020 GZCNZPCTHNWUAJ-UHFFFAOYSA-N 304.270 -0.747 30 20 DBED Cc1cc(C(=O)N[C@@H]2CCN(O)C2=O)ncc1-c1nn[nH]n1 1605607753 PADMRTZTPBIQPP-MRVPVSSYSA-N 303.282 -0.710 30 20 DBED N#Cc1cn(CC(=O)O)c(=O)n(Cc2ccc(CO)cc2)c1=O 1605623096 UVFOFQTVTURYBG-UHFFFAOYSA-N 315.285 -0.493 30 20 DBED N#Cc1nc(NCC(=O)N2CCCO2)cnc1-c1nn[nH]n1 1606393048 IPCQKLQEYVWVJW-UHFFFAOYSA-N 301.270 -0.896 30 20 DBED C#C[C@H](NC(=O)N1CCN(C)C[C@H](C(=O)O)C1)[C@@H]1CCCO1 1609054270 DSHVKLSZYZQZNW-AVGNSLFASA-N 309.366 -0.175 30 20 DBED Cn1cc(C(=O)N2CCC[C@@H]2CNCC(=O)NCC#N)cn1 1732326744 RNYSABHBZFHYFH-GFCCVEGCSA-N 304.354 -0.746 30 20 DBED C=CCN1CCN(CCNC(=O)[C@@H]2CCCN(C(N)=O)C2)CC1 1752367620 RFGJONZHFMXDLS-CQSZACIVSA-N 323.441 -0.303 30 20 DBED C#CCNC[C@@H]1CCCN(C(=O)CCn2ncn(C)c2=O)C1 1752805312 ODMVTSYNGPSHID-ZDUSSCGKSA-N 305.382 -0.567 30 20 DBED C#CCN1CCC[C@H]([C@H](C)NC(=O)CS(=O)(=O)N(C)C)C1 1752839720 DIKLVAWMSGXXPS-STQMWFEESA-N 315.439 -0.272 30 20 DBED COCC#CCN[C@H](C)CNC(=O)[C@H](C)N1C(=O)CCC1=O 1752877515 WJXAEDNGQVHSQB-NEPJUHHUSA-N 309.366 -0.732 30 20 DBED Cn1cnn(CCC(=O)N[C@H]2CCC[C@H](NCC#N)C2)c1=O 1752974389 SGKZVTPWMFRKRR-RYUDHWBXSA-N 306.370 -0.488 30 20 DBED CNS(=O)(=O)CC(=O)N1CCC([C@H](C)NCC#N)CC1 1753282266 CDNJFPBONILIIB-JTQLQIEISA-N 302.400 -0.724 30 20 DBED C#CCNC(=O)CN1CC[C@@H](CCNC(=O)c2cnc(C)[nH]2)C1 1753324316 BHXHCGKITAFGPO-CYBMUJFWSA-N 317.393 -0.091 30 20 DBED C=C[C@](C)(O)CC(=O)N1C[C@@H]2C[C@H]1CN2Cc1nnnn1C 1753419496 BEHLQFYRGDMTLC-MJVIPROJSA-N 306.370 -0.678 30 20 DBED C#CCNC(=O)CN(C)CCN(C)C(=O)CN(C)C1CCC1 1753855210 PHMIVXUUYPLNBV-UHFFFAOYSA-N 308.426 -0.390 30 20 DBED C#CCCN(C)CCN(C)C(=O)C(C)(C)NS(C)(=O)=O 1753865613 XVSILYBZSNWUDI-UHFFFAOYSA-N 303.428 -0.272 30 20 DBED C#CCN1CC[C@H]2CN(C(=O)CCNS(C)(=O)=O)CC[C@@H]21 1753871269 CTBMZDWFEHROQL-STQMWFEESA-N 313.423 -0.518 30 20 DBED C#CCNC(=O)[C@H](C)NCC[C@H](C)NC(=O)c1ccc(O)nn1 1753942959 JSGAVLQXWROROQ-QWRGUYRKSA-N 319.365 -0.582 30 20 DBED C#CCCCC(=O)NC/C=C\CN[C@@H](C)C(=O)NC(=O)NC 1754116696 VDQMOCQWKUVSBD-KRZKBDHCSA-N 308.382 -0.104 30 20 DBED C=CCOCC(=O)NC[C@@]1(O)CCN(Cc2cn(C)nc2C)C1 1754745753 HNHMNMDAESASLZ-INIZCTEOSA-N 322.409 -0.016 30 20 DBED C#CCCN1CC[C@](O)(CNC(=O)[C@H]2CCCN(C(N)=O)C2)C1 1754752229 DMJMZCWDRFRTMF-BBRMVZONSA-N 322.409 -0.647 30 20 DBED C#CCNC(=O)CN[C@@H](C)[C@H]1CCN(C(=O)CCCN(C)C)C1 1754799471 NFQWUFHDKBCUNJ-GJZGRUSLSA-N 322.453 -0.096 30 20 DBED C=CCCN[C@@H]1CN(C(=O)CN(C)S(C)(=O)=O)C[C@@H]1C 1755124218 TWMOOUAKSNFBSZ-NWDGAFQWSA-N 303.428 -0.110 30 20 DBED C#CCNC(=O)CN(C)[C@H](C)CNC(=O)Cc1[nH]cnc1C 1755325315 WXZFTPSTHOTWNB-LLVKDONJSA-N 305.382 -0.553 30 20 DBED C=CCCOCC(=O)NC[C@H]1[C@@H]2CN([C@H]3CCNC3=O)C[C@H]12 1755435200 BXVVWOXBFYKYFD-FQUUOJAGSA-N 307.394 -0.238 30 20 DBED O=C1N[C@H](C(=O)NC[C@H](CO)NCC#Cc2ccccc2)CO1 1755624958 BNLBBZQEGOEPSV-KGLIPLIRSA-N 317.345 -0.787 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@@H](O)CN(C)C(=O)C1CCCC1 1755770719 XSLCEXHIDQLLGL-GXTWGEPZSA-N 309.410 -0.277 30 20 DBED C=CCNC(=O)[C@@H](C)NC[C@H](O)CN(C)C(=O)c1nc(C)c[nH]1 1755790922 FKNZFGIZPHJBEW-NEPJUHHUSA-N 323.397 -0.569 30 20 DBED COCC#CCN(C)C[C@@H](O)CN(C)C(=O)[C@@H](C)n1cccn1 1755798667 YPLYFRVHTOARPZ-HUUCEWRRSA-N 322.409 -0.155 30 20 DBED C=CCCC(=O)N1C[C@H]2CC[C@H]1CN2C(=O)c1nnn(C)n1 1756164065 YKGCYJOYBVQYRG-WDEREUQCSA-N 304.354 -0.008 30 20 DBED C#CCCCC(=O)N[C@H]1CCN(C(=O)Cn2cnnn2)[C@@H]1C 1756553423 DTDRTOJOALIJLI-NEPJUHHUSA-N 304.354 -0.418 30 20 DBED C#CCCCC(=O)NC[C@@H](O)CN(C)C(=O)[C@H]1CCCNC1=O 1756666767 GBFUMHBFOTZJLD-OLZOCXBDSA-N 323.393 -0.748 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H](O)CN(C)C(=O)Cc1cnoc1 1756674485 MYAZGZGFGXKOEF-YPMHNXCESA-N 323.349 -0.809 30 20 DBED N#CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc[nH]3)[C@H]2C1 1785998176 YHFNQUIJYCVXTR-GVXVVHGQSA-N 317.349 -0.083 30 20 DBED CN(C)C(=O)NCC(=O)N1CC2(CCCN2C(=O)CCC#N)C1 1842811685 GZUYHOHBSRCWPA-UHFFFAOYSA-N 321.381 -0.235 30 20 DBED C#CC(=O)N1CC2(CCCN2C(=O)C[C@@](C)(O)CC(=O)O)C1 1846382899 XWOMZIGXAMRFLM-CQSZACIVSA-N 308.334 -0.561 30 20 DBED CCn1cc(C#N)c(=O)n(CC(=O)N2C[C@H](C)O[C@@H](C)C2)c1=O 22284688 YTXKZKSFFVECCJ-QWRGUYRKSA-N 320.349 -0.463 30 20 DBED CS(=O)(=O)N1CCN(CCNc2ccc(C#N)cn2)CC1 138684671 SGBFFLMOLYADKL-UHFFFAOYSA-N 309.395 -0.058 30 20 DBED N#C[C@H]1COCCN1C(=O)CCn1nc2ccccn2c1=O 173125232 PJXHYQXQPOAOJO-NSHDSACASA-N 301.306 -0.363 30 20 DBED COC[C@@H](C)N/C(N)=N/Cc1ccc(S(N)(=O)=O)cc1 264104350 NJJCPQRDFOXUBY-SECBINFHSA-N 300.384 -0.227 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(CC)CCOCC)C1=O 264477937 XMZWBLWLPXDAMI-UHFFFAOYSA-N 311.338 -0.152 30 20 DBED CCOc1ccc(C#N)cc1NC(=O)C(=O)NC(CO)CO 267465303 ZYPATRNQFOOTAP-UHFFFAOYSA-N 307.306 -0.635 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@H](C)NC(=O)OC)CC1 270588418 SPFMDZKDVXQZJO-LBPRGKRZSA-N 324.381 -0.985 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCC[C@H]2CCO)C1=O 275135254 MZAYYZLGBUXVBF-WDEREUQCSA-N 323.349 -0.370 30 20 DBED C=CCN1CC[C@@H](N(C)S(=O)(=O)[C@H](C)C(=O)N(C)C)C1=O 281611699 SRLUQDXNPRTZOM-GHMZBOCLSA-N 317.411 -0.488 30 20 DBED C=C[C@H](CO)NC(=O)[C@H]1CC(=O)N(C[C@@H]2CCCN2CC)C1 290605881 NNCPYFOJDTWONV-MJBXVCDLSA-N 309.410 -0.018 30 20 DBED CS(=O)(=O)N1CC[C@H](C/N=C(/O)NC[C@H]2CCCO2)C1 328668791 DUWSTYHCCXQEHY-GHMZBOCLSA-N 305.400 -0.050 30 20 DBED C[C@H](/N=C(/O)CN1CCCS1(=O)=O)C(=O)N1CCCC1 328806820 MAFYIFKOOMGXBQ-JTQLQIEISA-N 303.384 -0.011 30 20 DBED CC/N=C(/O)N1CCN(C(=O)[C@H]2CCc3nncn3C2)CC1 330351160 LXIPMZKHSJODLK-NSHDSACASA-N 306.370 -0.081 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)NCc2ccc(C(N)=O)cc2)CCO1 336905463 SXYHTRNKUPIRPE-GFCCVEGCSA-N 324.362 -0.656 30 20 DBED COC(=O)C[C@@H]1CN(S(=O)(=O)N(C)[C@@H](C)CC#N)CCO1 337902923 RTQKWHTXDNMSGT-WDEREUQCSA-N 319.383 -0.271 30 20 DBED N#Cc1ccc(NC(=O)C(=O)N2CCN(CCO)CC2)nc1 340157036 CTFJTUWYIYSZAR-UHFFFAOYSA-N 303.322 -0.972 30 20 DBED C=CCn1c(O)nnc1SCC(=O)N[C@H](C)C(=O)N(C)C 348126715 XVYLQXUUGHMLCG-MRVPVSSYSA-N 313.383 -0.145 30 20 DBED C=C(C)COCCNC(=O)CN1CCN(S(C)(=O)=O)CC1 355876993 BKUVADAAEDZFHL-UHFFFAOYSA-N 319.427 -0.728 30 20 DBED N#C[C@]1(NC(=O)CCn2nc3ccccn3c2=O)CCOC1 358450794 RFWFCTIFDBINDO-CQSZACIVSA-N 301.306 -0.315 30 20 DBED C=C[C@@H](CO)NC(=O)NCCN1C(=O)NC2(CCCC2)C1=O 359144603 OSPDAJPILASVRU-JTQLQIEISA-N 310.354 -0.303 30 20 DBED C[C@@H](C#N)CN(C)C(=O)Cn1ccc2c(=O)n(C)c(=O)n(C)c21 362571141 ZZSSUXCOUDUJHZ-JTQLQIEISA-N 317.349 -0.343 30 20 DBED N#Cc1ccc(O[C@@H]2CCN(C(=O)CCNC(N)=O)C2)nc1 368321815 PFUOBGOBFQINCM-LLVKDONJSA-N 303.322 -0.009 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N1CCN2C(=O)OC[C@@H]2C1 374463796 ZOBVQNOJLJXJBX-ZJUUUORDSA-N 302.356 -0.541 30 20 DBED N#Cc1ccccc1OC[C@@H](O)CN1C[C@H]2C(=O)NC(=O)[C@H]2C1 388101733 TXZDRJJDHFZUJJ-RWMBFGLXSA-N 315.329 -0.498 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N1CCS(=O)(=O)[C@@H](C)[C@@H]1C 407956495 MCZPJXIOAGINRT-VWYCJHECSA-N 323.440 -0.170 30 20 DBED COC(=O)CC1(CS(=O)(=O)N2CCO[C@H](C#N)C2)CC1 437247804 PXQYJRIUZRTPRQ-SNVBAGLBSA-N 302.352 -0.116 30 20 DBED C#CCN(CC#CC)S(=O)(=O)c1cnn(CC(=O)OC)c1 490696169 GOYNLZUQKRKIJG-UHFFFAOYSA-N 309.347 -0.297 30 20 DBED C#CCN(CC#CC)C(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 490701099 VHNJDZDOBLRRAH-UXOAXIEHSA-N 314.341 -0.366 30 20 DBED C#C[C@H](CC)NC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 491517132 XKNSBLIYGWZHAZ-QJPTWQEYSA-N 312.391 -0.450 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)/C=C/[C@@H]2CCOC2)CC1 491523478 FHPSNDTYTMGUGA-RDFMZFSFSA-N 305.378 -0.527 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2ccn(C(C)C)n2)CC1 491783476 PFOBJEDZENQBMI-UHFFFAOYSA-N 317.393 -0.029 30 20 DBED CS(=O)(=O)c1ccc(C(N)=NOC[C@H]2CNC(=O)O2)cc1 495719867 UBTCPQUCDVBRME-SECBINFHSA-N 313.335 -0.165 30 20 DBED CCC[C@@H](C#N)NC(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1 531031357 NPMVJNPUTUWRNJ-ZJUUUORDSA-N 313.383 -0.105 30 20 DBED N#Cc1ccc(S(=O)(=O)N2CCC[C@H]([C@H](O)C(=O)O)C2)o1 563550534 SYVOSLVVYLTNNF-KWQFWETISA-N 314.319 -0.003 30 20 DBED N#CCCN(CCC#N)C(=O)Cn1c(=O)[nH]cc(C#N)c1=O 567588044 IHDUFMAICLKPRA-UHFFFAOYSA-N 300.278 -0.936 30 20 DBED COC(=O)[C@H]1C[C@H](O)CN(C(=O)Nc2ccn(CCC#N)n2)C1 592229949 SPOVJAAOPMIXRU-QWRGUYRKSA-N 321.337 0.184 30 20 DBED N#Cc1sccc1S(=O)(=O)N[C@H](CCC(N)=O)C(=O)O 593254409 DEORKNKUBHGMAS-ZCFIWIBFSA-N 317.348 -0.383 30 20 DBED C=CCN([C@H](C)COC)S(=O)(=O)N1CCO[C@H](C#N)C1 594807105 FPKGAHQALIHZLX-VXGBXAGGSA-N 303.384 -0.022 30 20 DBED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCOC[C@H]2CO)CC1 595715987 JRUBYRXEPTWJDT-HUUCEWRRSA-N 324.425 -0.628 30 20 DBED CCCN(C(=O)C(=O)N1CCN(CCC#N)CC1)[C@H]1CCNC1 601585123 WQHPWTRXOMQAPW-AWEZNQCLSA-N 321.425 -0.355 30 20 DBED CCOc1ccc(C(=O)NCC(=O)OCC(=O)NCC#N)cc1 731238646 JJUKRGAVESZGFY-UHFFFAOYSA-N 319.317 -0.002 30 20 DBED C=CCNC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)CCCC 760692444 VSXNHSXCTVOGIR-SNVBAGLBSA-N 306.384 -0.060 30 20 DBED CN1CC[C@](O)(CNC(=O)C#Cc2ccc3c(c2)OCO3)C1 762723723 UKSFDGPDDLBIDJ-INIZCTEOSA-N 302.330 -0.050 30 20 DBED N#CCNC(=O)CSc1nnc(-c2n[nH]c3c2CCC3)n1N 768434270 YNMANINKZDFPIV-UHFFFAOYSA-N 318.366 -0.397 30 20 DBED Cn1nccc1COCC(=O)NS(=O)(=O)CC(C)(C)C#N 793191143 PTFDAUVYMBYHBN-UHFFFAOYSA-N 314.367 -0.068 30 20 DBED CC(=O)N1CC[C@@](C)(C(=O)NS(=O)(=O)CC2(C#N)CC2)C1 793203214 AXNHOWMPWBFPOF-GFCCVEGCSA-N 313.379 -0.005 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCCN(CC)C(=O)C1)[C@@H]1CCCO1 809313838 YDWRHRBHTXEFLR-STQMWFEESA-N 321.377 -0.636 30 20 DBED CN(C)c1c(COC(=O)CCCC#N)c(=O)n(C)c(=O)n1C 814060418 JKQWFXCADZLNHQ-UHFFFAOYSA-N 308.338 -0.113 30 20 DBED C#CC[C@H](CO)NC(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1 816675265 WWXVQGSGYPSBOJ-BXUZGUMPSA-N 314.345 -0.393 30 20 DBED CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NC[C@H](O)C(=O)O 833432337 LCDBMJIBVMLMTI-ISVAXAHUSA-N 300.311 -0.190 30 20 DBED C=CCN(CC=C)C(=O)[C@@H](C)OC(=O)[C@H]1CCS(=O)(=O)N1 845368008 LDJOBQPXBQATJR-GHMZBOCLSA-N 316.379 -0.190 30 20 DBED C/N=C(/NCc1ccco1)NC[C@@]1(O)CCS(=O)(=O)C1 849036578 UVXRFHYYMPPAHG-LBPRGKRZSA-N 301.368 -0.506 30 20 DBED C#CCCN(CCOC)C(=O)CN(C)[C@@H]1CCS(=O)(=O)C1 856390023 IYZBYPYXJXWGOQ-CYBMUJFWSA-N 316.423 -0.396 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(NC(=O)[C@@H](C)OCC#C)COC1 870201237 LMMLLYDLDZZEAT-QWHCGFSZSA-N 322.361 -0.936 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C#C)CC)CC1 894937401 OQCFXVHAWTUJKY-LBPRGKRZSA-N 312.395 -0.807 30 20 DBED COC/C=C/C(=O)N1CCN(C(=O)/C=C/COC)[C@H](C#N)C1 912536873 UZVSCDXSAMSNLZ-ORQLPXSXSA-N 307.350 -0.045 30 20 DBED O=C1NC[C@H](C(=O)N[C@@H]2CCCCN(C(=O)C#CC3CC3)C2)N1 943488531 RSXTWYIMYHXOOJ-CHWSQXEVSA-N 318.377 -0.422 30 20 DBED C[C@@H]1CN(CC#N)CC[C@@H]1NC(=O)CN1C(=O)NC(=O)C1(C)C 943986531 GAKLWRWTPDKZSK-MNOVXSKESA-N 321.381 -0.333 30 20 DBED C[C@@H]1CN(CC#N)CC[C@H]1NC(=O)c1nccnc1C(N)=O 944812281 SUTUBIQISZOPHS-NXEZZACHSA-N 302.338 -0.461 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@@H]2CCC[C@H]2NC(=O)C(N)=O)c1 946294854 TVNLIUQJHPCXHU-VHSXEESVSA-N 303.322 -0.614 30 20 DBED C[C@H]1C[C@@H](NC(=O)Cn2ccc(O)nc2=O)CCN1CC#N 947512397 VNVPIORGLOVWKZ-QWRGUYRKSA-N 305.338 -0.558 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@@H]2CCN2C(=O)Cn2cncn2)c1 949292020 AUNUWLPWMDVKTA-NSHDSACASA-N 313.321 -0.491 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2CCN2C(=O)c2cnn(C)n2)cn1 951376907 LKSIUFNQDOVDCJ-ZDUSSCGKSA-N 324.344 -0.164 30 20 DBED COCCn1cc(C(=O)N(C)C2CN(C(=O)[C@@H](C)C#N)C2)nn1 954278805 PPRGADOSVMGKPB-JTQLQIEISA-N 320.353 -0.633 30 20 DBED C[C@H]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)C(N)=O 955798130 WLUKSFVCQFKZRH-WCBMZHEXSA-N 303.322 -0.519 30 20 DBED CC1(NC(=O)c2cc(C#N)c[nH]2)CCN(C(=O)CC(N)=O)CC1 956329602 JMVBQUFGXJAGKN-UHFFFAOYSA-N 317.349 -0.127 30 20 DBED C=CCN1C[C@@H](O)[C@H](CNC(=O)c2cnc3c(c2)nnn3C)C1 958268709 XDNUEBBEKGARPZ-DGCLKSJQSA-N 316.365 -0.428 30 20 DBED C[C@H](NC(=O)c1cc(C#N)c[nH]1)[C@H]1CCN(C(=O)CC(N)=O)C1 959097023 SXIWBNBIXQZBOC-ONGXEEELSA-N 317.349 -0.271 30 20 DBED C#CCN1C[C@H]2[C@H](NC(=O)[C@H]3CC(=O)N(CCOC)C3)[C@H]2C1 960166149 LSADEXGYVLWFOP-RMRHIDDWSA-N 305.378 -0.839 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1[C@@H]2CN(Cc3cnn(C)n3)C[C@@H]12 961815018 MKTRQTPCNUEWOR-SYQHCUMBSA-N 317.393 -0.047 30 20 DBED CC#CCN1C[C@H]2C(NC(=O)c3ccc(=O)n(CC)n3)[C@@H]2C1 962070220 ZZPPEBHWDIKTBP-VXGBXAGGSA-N 300.362 -0.054 30 20 DBED C=C1CC(C)(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@H]3COC(=O)N3)C2)C1 962680429 VQHGHVPSVUOBAF-MXWKQRLJSA-N 323.349 -0.861 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H](NC(=O)Cn2cnnc2O)CC1 964846475 UUGGGADYCZHGMG-GHMZBOCLSA-N 320.353 -0.359 30 20 DBED C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2nnc(O)nc2O)C1 967258310 PKIPRUDOYZVYRM-UWVGGRQHSA-N 305.338 -0.254 30 20 DBED C=CCCn1cc(C(=O)N[C@H]2CN(CC(N)=O)CC[C@H]2C)nn1 968408220 BQJZREDHGIQYLR-NEPJUHHUSA-N 320.397 -0.220 30 20 DBED C#CCCN1CC[C@H](C)[C@H](NC(=O)CN2CC(=O)NC2=O)C1 968430022 ASSCRRYSQHCKKG-NWDGAFQWSA-N 306.366 -0.612 30 20 DBED CN(CC#N)[C@H]1CCN(C(=O)CN2C(=O)CC(C)(C)C2=O)C1 971544434 BAAKYBGACXOMNC-NSHDSACASA-N 306.366 -0.172 30 20 DBED C[C@]1(C(=O)N2CC[C@@]3(CN(CC#N)CCO3)C2)CNC(=O)C1 972480005 GDNQCIMOIBJEBO-HUUCEWRRSA-N 306.366 -0.661 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1[C@@H]2CN(C(=O)C(N)=O)C[C@@H]21 976592435 OMFULXGWMWURNS-GCHJQGSQSA-N 307.350 -0.974 30 20 DBED C#Cc1ccc(C(=O)N(C)C[C@H]2CCN2C(=O)C(N)=O)nc1 978103211 DVHCCYHCKZUJMH-LLVKDONJSA-N 300.318 -0.779 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2[C@@H]3CN([C@H]4CCNC4=O)C[C@H]23)nc1 978980842 CFNSCQJSGUSGJT-AYDFFVQHSA-N 324.384 -0.141 30 20 DBED Cn1cc(C(=O)N[C@@H]2CCC[C@H](NCC#N)C2)c(=O)n(C)c1=O 981360964 WXJWQOVCRXXIQW-WDEREUQCSA-N 319.365 -0.762 30 20 DBED C=C(Cl)CN1CCCN(C(=O)CN2C(=O)CNC2=O)CC1 989623777 JKZWCOHJJPMTKA-UHFFFAOYSA-N 314.773 -0.175 30 20 DBED C=C(C)CN[C@@H]1C[C@H](C)N(C(=O)c2cn(CC(N)=O)nn2)C1 989831963 NXVXWKJAYKGCKR-WDEREUQCSA-N 306.370 -0.468 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC(NC(=O)[C@@H]3COCCO3)C2)c1 990275409 KHGVIBMFQFHFDG-LBPRGKRZSA-N 304.306 -0.758 30 20 DBED O=C(N[C@H]1CCN(C(=O)C#CC2CC2)C[C@H]1O)c1csnn1 991619521 BXAZWEOBFSYPCN-CMPLNLGQSA-N 320.374 -0.357 30 20 DBED CN1CC[C@@H](C(=O)NC2CN(C(=O)c3c[nH]c(C#N)c3)C2)C1=O 997918887 XLKOWTYPUFHGNG-LBPRGKRZSA-N 315.333 -0.695 30 20 DBED C[C@@H](NC(=O)c1c[nH]c(C#N)c1)C1CN(C(=O)CC(N)=O)C1 1005928345 XNWISYNYCMXIGA-MRVPVSSYSA-N 303.322 -0.662 30 20 DBED C#CCCN1CCC[C@H](NC(=O)c2cnc(O)n(C)c2=O)C1 1008157169 JSBSKINKBDJLOB-NSHDSACASA-N 304.350 -0.297 30 20 DBED N#CCN1CC[C@@H](NC(=O)Cn2nnc(-c3ccco3)n2)C1 1015057421 JMKCZVWFQVXQCH-SNVBAGLBSA-N 301.310 -0.353 30 20 DBED C=CCN1CC[C@H](N[C@H]2C[C@@H](NC(=O)c3[nH]nnc3C)C2)C1=O 1022526850 IVASFUXOPQYVCU-TUAOUCFPSA-N 318.381 -0.250 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)COC)C[C@H]2O)nc1 1024921720 MACWCZPKKASXGJ-CHWSQXEVSA-N 303.318 -0.989 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCNC3=O)C[C@H]2O)C1 1025548494 GNHLAKHRQBDLTI-IJLUTSLNSA-N 321.377 -0.833 30 20 DBED N#CCN[C@@H]1CC[C@@H]2CN(C(=O)CC3CS(=O)(=O)C3)C[C@H]21 1026298471 QFGJPDNULMHIHA-JHJVBQTASA-N 311.407 -0.229 30 20 DBED C=CCn1cc(C(=O)N2C[C@@H]3[C@@H](CC[C@H]3NCC(N)=O)C2)nn1 1026371808 PZYXZDMLISPTTA-QJPTWQEYSA-N 318.381 -0.610 30 20 DBED C=CCN[C@@H]1CC[C@H]2CN(C(=O)CN3CCC(=O)NC3=O)C[C@@H]21 1026399760 YCGRNYCEMNCNSK-RWMBFGLXSA-N 320.393 -0.059 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)[C@@H]3CCN(C)C3)C2)C1=O 1031382179 LGNAQWQNXMJBDM-OCCSQVGLSA-N 306.410 -0.475 30 20 DBED CC#CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCc2nnnn2CC1 1032639320 BAPRUFFTFXFDKJ-IHRRRGAJSA-N 314.393 -0.066 30 20 DBED C=C(C)CN1CCO[C@H](CNC(=O)c2cc(=O)n(C)cn2)C1 1035401028 UTUJOONDAMGRCK-GFCCVEGCSA-N 306.366 -0.213 30 20 DBED C=CCN1CCO[C@@H](CNC(=O)[C@H]2CCc3nnc(O)n3C2)C1 1035425246 UMEGWUHZYPWXFZ-RYUDHWBXSA-N 321.381 -0.451 30 20 DBED C=C(C)CN1C[C@H]2C[C@H]1[C@H]2NC(=O)c1cn(CC(N)=O)nn1 1037743643 NXKMMQBJLFRMOW-CDMKHQONSA-N 304.354 -0.858 30 20 DBED CC#CCN1CC[C@@H]1CNC(=O)c1ccc(S(N)(=O)=O)o1 1038449804 GBTMYITXPQSOFQ-SNVBAGLBSA-N 311.363 -0.246 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)CCCCC(N)=O)C1 1040913525 CRPSRCATPXVZGI-XHDPSFHLSA-N 324.381 -0.729 30 20 DBED N#CCN1CCC2(CC1)CCN(C(=O)C[C@@H]1CC(=O)NC1=O)C2 1040959059 DELYKSSYGWLSQC-LBPRGKRZSA-N 318.377 -0.123 30 20 DBED N#Cc1ccc(NC[C@H]2CN(C(=O)CC(N)=O)CCCO2)nc1 1041486698 KDHJKLDRCIFCIU-LBPRGKRZSA-N 317.349 -0.142 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)CCOCC)C1 1042039674 HBXMBBGSXYNXMQ-UHFFFAOYSA-N 300.355 -0.695 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)c2ccnc(C)c2)C1 1042047033 GJYJLYUMXDHQRU-UHFFFAOYSA-N 319.361 -0.104 30 20 DBED CC#CCCCC(=O)N1CC(O)(CNC(=O)CNC(=O)CC)C1 1042112963 SEQMKBFVAMOULL-UHFFFAOYSA-N 323.393 -0.604 30 20 DBED C=CCN1CC[C@H](N2CC(N(C)C(=O)[C@H]3CCOC3)C2)C1=O 1042523092 IYBBPTRBQFDWOI-JSGCOSHPSA-N 307.394 -0.048 30 20 DBED COCC[C@H](C)C(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042963170 JKSBTNZALKVYHS-LBPRGKRZSA-N 308.378 -0.238 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2CC)C1 1043042642 SNRGSYQKGWFKJO-JHJVBQTASA-N 308.378 -0.240 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)C2(COC)CC2)C1 1043042967 ZUPRSQUKOYEFCR-GFCCVEGCSA-N 324.377 -0.859 30 20 DBED C=CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)c2c[nH]nc2C)C1 1043577230 UPHOBCUZTWXPAE-LLVKDONJSA-N 322.365 -0.388 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)CC[C@@H]2CCCN2C)C1 1043659170 GXDGXAXFXUAXPA-STQMWFEESA-N 322.409 -0.290 30 20 DBED N#Cc1cncc(N2C[C@H](O)[C@H](NC(=O)[C@@]34COC[C@@H]3C4)C2)n1 1044697164 NYNZYQASWFPIFF-LIBKGXAOSA-N 315.333 -0.950 30 20 DBED C[C@H]1C[C@@H](NCC#N)CCN1C(=O)CN1C(=O)CN(C)C1=O 1044850599 VLDJHUHVADJWCO-QWRGUYRKSA-N 307.354 -0.627 30 20 DBED N#CCN1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCC(=O)N2)C1 1046989469 XPCBKTZFJDQOOU-ZJUUUORDSA-N 300.309 -0.138 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CN(C(C)C)CCO2)C1 1047500131 YZNJSAJCCXSWKC-HRCADAONSA-N 323.437 -0.378 30 20 DBED C=CCO[C@@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)COC)C1 1048027086 KQACMIVMAMEPNH-SRVKXCTJSA-N 300.355 -0.746 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CNC(=O)OC)C1 1048384578 BNBVOJYHMXKUOO-QWRGUYRKSA-N 313.354 -0.661 30 20 DBED CCOCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)C#N)C1 1049388541 NEGZYDHCKOHXGB-AVGNSLFASA-N 311.382 -0.007 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)CCOCC2CC2)C[C@@H]1O 1049401051 AFRRVNMYRMCVEW-XBFCOCLRSA-N 323.393 -0.007 30 20 DBED CCCN1C[C@@H](C(=O)NC[C@@H]2COCCN2CC#N)CC1=O 1051138474 XRPBUMGYQPWKMG-QWHCGFSZSA-N 308.382 -0.415 30 20 DBED C=CCN1CCOC[C@@H]1CNC(=O)[C@H]1CCCS1(=O)=O 1051254902 ODMYKTJYJPLGMU-NWDGAFQWSA-N 302.396 -0.433 30 20 DBED C=CCCC(=O)N1C[C@H](CNC(=O)Cn2cnnn2)[C@@H](C)C1 1052173809 AKMHBHZNPHXITE-RYUDHWBXSA-N 306.370 -0.150 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)[C@@H]1CCC(=O)N(C)C1)CCO2 1053542321 DBGBNGNBUMOUNT-CQSZACIVSA-N 319.405 -0.209 30 20 DBED CC#CCN1CC2(CC[C@H](CNC(=O)[C@H]3CCC(=O)N3)O2)C1 1053583074 UGNLLNDYGWVUSM-CHWSQXEVSA-N 305.378 -0.362 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)[C@H]3CCCc4nn[nH]c43)CO2)C1 1053908681 YUXFNIRLJDXFQP-RYUDHWBXSA-N 315.377 -0.183 30 20 DBED C=CCCC(=O)N1CCC[C@](CO)(NC(=O)Cn2ncnn2)C1 1055958817 OHQIGQGKCDLDJB-AWEZNQCLSA-N 322.369 -0.891 30 20 DBED N#Cc1cnc(N2C[C@H]3[C@H](NC(=O)[C@H]4CCC(=O)N4)[C@H]3C2)cn1 1056148254 YYVYRRHHGLIZOF-DEKYYXRVSA-N 312.333 -0.822 30 20 DBED CCn1cc(C(=O)NC2[C@@H]3CN(c4nccnc4C#N)C[C@@H]23)nn1 1056284121 SLJWFLDCMVOELW-NXEZZACHSA-N 324.348 -0.176 30 20 DBED N#Cc1nccnc1N[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)NC2)C1 1056817767 GTRPMTFJRBUFNS-GHMZBOCLSA-N 314.349 -0.113 30 20 DBED C#CCOCCC(=O)NCCN(CCO)C(=O)CCCOC 1057079909 DCVGPSLEWRAIFX-UHFFFAOYSA-N 314.382 -0.610 30 20 DBED CCc1nc(C#N)cc(NC2CCN(C(=O)C(N)=O)CC2)n1 1057411899 AJGCBZXMBYGUMA-UHFFFAOYSA-N 302.338 -0.201 30 20 DBED C#CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)[C@@H](C)OCC#C 1057584120 FOVXTDHQURDKMM-KGLIPLIRSA-N 324.377 -1.000 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)CCN(C)C 1058707886 RSCMHYMFTSQFDF-UHFFFAOYSA-N 301.387 -0.922 30 20 DBED N#Cc1cnc(N2C[C@@H]3CC[C@H](C2)N3C(=O)Cc2nc[nH]n2)cn1 1058775815 WLDYQKKAICABTM-TXEJJXNPSA-N 324.348 -0.111 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1C[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 1059392083 QZMFHUIOHHBQMF-NHCYSSNCSA-N 300.322 -0.884 30 20 DBED Cn1cnc(C(=O)N[C@H]2C[C@H](N=c3cc[nH]cc3C#N)C2)cc1=O 1059456042 RWFFULJAYPHAFQ-HAQNSBGRSA-N 324.344 -0.158 30 20 DBED CN1CCO[C@@H](C(=O)N[C@H]2C[C@@H](N=c3cc[nH]cc3C#N)C2)C1 1059587447 WPIKHERIBFAFAF-VNHYZAJKSA-N 315.377 -0.235 30 20 DBED CN1CCOC[C@H]1C(=O)N[C@H]1C[C@@H](Nc2cncc(C#N)n2)C1 1059598223 YRQRZBBVCJMXLF-LOWVWBTDSA-N 316.365 -0.262 30 20 DBED O=C(C#CC1CC1)NC[C@H]1COCCN1C(=O)[C@H]1CCC(=O)N1 1061569461 FMABZVYSZIQHFA-QWHCGFSZSA-N 319.361 -0.978 30 20 DBED C=CC(C)(C)C(=O)NC[C@H]1COCCN1C(=O)Cc1nc[nH]n1 1061755350 HIZXMKHYIBQCDH-NSHDSACASA-N 321.381 -0.097 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(NC(=O)[C@H](C)NC(C)=O)CCC1 1063041664 BDHBRBOZMWGJJA-RYUDHWBXSA-N 323.393 -0.296 30 20 DBED N#Cc1ccc(N2CCO[C@@H](CNC(=O)c3ccon3)C2)nn1 1063615977 IXHFNDTUBXETPQ-NSHDSACASA-N 314.305 -0.029 30 20 DBED CCn1ncc(C(=O)N[C@@H]2[C@H]3C[C@H]2N(c2ccnc(C#N)n2)C3)n1 1064246587 QYCUVZIPBOUOGU-DRCTWCGVSA-N 324.348 -0.033 30 20 DBED COCC(=O)NC[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCO1 1065021328 PCEWAWLYYKERPO-NSHDSACASA-N 306.322 -0.510 30 20 DBED C[C@@H]1[C@@H](N=c2cc[nH]c(C#N)n2)CCN1C(=O)c1cnn(C)n1 1068871345 QVSJTLWVGPVIHO-ZJUUUORDSA-N 312.337 -0.386 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 1069906845 GEKBKFUPEYGNSN-KGLIPLIRSA-N 309.333 -0.234 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2cnn(C)c2N)C1 1069913236 WXSFPFVDXUCYRU-NEPJUHHUSA-N 316.369 -0.565 30 20 DBED C=CCCC(=O)NCC1(NC(=O)CNC(N)=O)CCOCC1 1069975898 KLYZTFOMPXLWCT-UHFFFAOYSA-N 312.370 -0.598 30 20 DBED Cc1nn[nH]c1C(=O)N1C[C@@H](NCC#N)[C@H](c2cncn2C)C1 1070675421 AGORRFUVYJXEON-GHMZBOCLSA-N 314.353 -0.432 30 20 DBED C#CCCN1C[C@H]2C[C@@H]3CN(C(=O)[C@H]4COCCO4)C[C@@]3(C1)O2 1070767098 QAGGSQXFUBYEIO-KCYZZUKISA-N 320.389 -0.273 30 20 DBED C#CCOCCC(=O)N1C[C@H](C)[C@@H](NC(=O)C2=COCCO2)C1 1072097206 KKYYCCHDQKGRTC-STQMWFEESA-N 322.361 -0.122 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](NC(=O)C(N)=O)C(C)(C)C1 1073479220 JFNQXGFWRKAVNM-LLVKDONJSA-N 309.366 -0.745 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(C(=O)C2(C(N)=O)CC2)C[C@@H]1C 1073816647 DREHFQFHDZQHSS-RYUDHWBXSA-N 323.393 -0.192 30 20 DBED COCCn1cc(C(=O)NC[C@@H]2CN(CC#N)CCCO2)cn1 1073874321 YOAVGNMFWJZYHT-CQSZACIVSA-N 321.381 -0.126 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)c3cc(C(N)=O)c[nH]3)C[C@@H]21 1074368332 FDYFYOVCYCISQF-UONOGXRCSA-N 316.361 -0.338 30 20 DBED CC(=O)N(C)CC(=O)NCC[C@H](C)NC(=O)c1ccc(C#N)[nH]1 1075680375 OUPUVIPGTPXNBH-JTQLQIEISA-N 319.365 -0.011 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H]3CN([C@H](C)C(N)=O)C[C@H]32)nn1 1076336488 ZJKROAYCZOHGMV-NTZNESFSSA-N 318.381 -0.516 30 20 DBED C#CCCCC(=O)N[C@@H](C)CCNC(=O)C1CS(=O)(=O)C1 1076671042 IEXVMXHZXAWIRE-NSHDSACASA-N 314.407 -0.155 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2cnn(-c3cccnc3)c2)C1 1077128727 BYOZFEQDUIETED-HUUCEWRRSA-N 311.345 -0.325 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)c2c(OC)ccnc2OC)C1 1077372933 ZMGRZVOXOHFVPZ-VXGBXAGGSA-N 319.361 -0.103 30 20 DBED Cc1cc(C)n2nc(C(=O)N[C@@H]3CN(CC#N)C[C@H]3O)nc2n1 1078123415 RACNEWLEFKFHNY-GHMZBOCLSA-N 315.337 -0.960 30 20 DBED C=CCCOCC(=O)N(CC)C1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 1079978321 JPXLFCZWSSUIDP-OLZOCXBDSA-N 323.393 -0.240 30 20 DBED CC#CCN1C[C@@H](NC(=O)CN2CCN(C)C(=O)C2)[C@H](C)C1 1079990753 LJNHVAHROSZUQP-ZIAGYGMSSA-N 306.410 -0.780 30 20 DBED C[C@@H](C#N)C(=O)NC1(CO)CCN(C(=O)c2cncn2C)CC1 1080981791 MAWJDBYQIWZMQE-NSHDSACASA-N 319.365 -0.337 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)c2ccon2)C[C@@H]1O 1081463070 JDHZRLQRPYQMSW-YPMHNXCESA-N 305.334 -0.117 30 20 DBED C=C(C)CN1C[C@@H](NC(=O)[C@@H](C)N2C(=O)CCC2=O)[C@H](OC)C1 1081759153 QRWZEPMUCZEUMM-JHJVBQTASA-N 323.393 -0.085 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)c2cncc3ncn(C)c23)C1 1083538616 INNPKCUDBFLSCM-KGLIPLIRSA-N 313.361 -0.234 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2cc(=O)c3ccccc3[nH]2)C1 1083616853 JPBYEPGPNDWNES-ZBFHGGJFSA-N 311.341 -0.064 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)Cn2ncc3cccnc32)C1 1083651636 DNRNQFXBMMZTCI-NEPJUHHUSA-N 300.322 -0.884 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)c2cnn(CCN(C)C)c2)C1 1083851139 OSJRFNNZBJXKMO-CABCVRRESA-N 321.425 -0.204 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CCN(CCN3C(=O)CCC3=O)C[C@H]21 1084232836 JRUZZCVNXOKFHM-JHJVBQTASA-N 318.377 -0.172 30 20 DBED C=CCN1CC[C@H](NC(=O)Cn2ncn3nccc3c2=O)[C@H]1C 1088895170 MKSFYDDVBHOCPJ-NEPJUHHUSA-N 316.365 -0.344 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2ccnn2CC(F)F)[C@@H](O)C1 1090266145 RPKNGOLFZSAZRJ-KOLCDFICSA-N 313.308 -0.163 30 20 DBED C#CCCN1CC[C@H](NC(=O)Cc2cnn(C)c2C)[C@@H](O)C1 1090311941 BELNFVCRAFMOCN-GJZGRUSLSA-N 304.394 -0.154 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2cn(C)c(C)cc2=O)[C@H](O)C1 1090343018 UGONLECQMZDJPP-GOEBONIOSA-N 317.389 -0.118 30 20 DBED C=CCN1CC[C@H](NC(=O)c2nc3ncc(C)cn3n2)[C@H](O)C1 1090348786 FTENEZUUPNSBPZ-NWDGAFQWSA-N 316.365 -0.216 30 20 DBED N#CCN1CC[C@H](NC(=O)c2cn3c(n2)COCC3)[C@@H](O)C1 1090362383 WTWNJZUDSPHDRG-JQWIXIFHSA-N 305.338 -0.898 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cc3n(n2)CCCO3)[C@H](O)C1 1090425775 SXKQLSGWXBUGMM-WCQYABFASA-N 304.350 -0.536 30 20 DBED COC[C@@H](C)C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1OC 1090868034 IDUPHCODOOJNCH-RAIGVLPGSA-N 319.365 -0.049 30 20 DBED CC(=O)NCC(=O)N[C@H]1CCN(c2ccc(C#N)nc2)C[C@@H]1O 1092128639 JQQPWQJYIKXSRD-KBPBESRZSA-N 317.349 -0.855 30 20 DBED N#Cc1nccc(N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)CC(N)=O)n1 1092809662 GXTSDMKTYBQHHI-UTLUCORTSA-N 300.322 -0.550 30 20 DBED COC[C@@H](OC)C(=O)N1CCN(c2cncc(C#N)n2)CC1 1093193178 CSRMKAZZHWTXLE-GFCCVEGCSA-N 305.338 -0.342 30 20 DBED CN1CCOC[C@H]1C(=O)NCCNc1ncc(C#N)cc1F 1093554996 VRRPVJOQZFUAFM-LBPRGKRZSA-N 307.329 -0.049 30 20 DBED N#Cc1nc(=NCCNC(=O)C2CCS(=O)(=O)CC2)cc[nH]1 1093865401 OOMQRGIZWTWYSQ-UHFFFAOYSA-N 323.378 -0.877 30 20 DBED C=CCN1CC(n2cc(CNC(=O)c3cn(C)cn3)nn2)C1 1094284841 WKILGJZNAVQUSZ-UHFFFAOYSA-N 301.354 -0.016 30 20 DBED N#Cc1ccc(NCCCNC(=O)[C@H]2CCNC(=O)C2)nn1 1094381590 BLKZIEVADGKJFE-JTQLQIEISA-N 302.338 -0.207 30 20 DBED CC#CCN1CCN(C(=O)c2cn[nH]c2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094607543 MIPWENCKFBORIZ-QWHCGFSZSA-N 322.390 -0.644 30 20 DBED N#CCN1CC(N2C[C@H](NC(=O)c3ncccn3)CC2=O)C1 1094802938 CDDIOCDBWDPLBD-SNVBAGLBSA-N 300.322 -0.985 30 20 DBED C#CCN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cn(C)c(=O)cn1)C2 1094965504 KFPRHOANVMDOBU-XQQFMLRXSA-N 300.362 -0.004 30 20 DBED CN(CCCNC(=O)c1cnnn1C)c1cncc(C#N)n1 1095537234 CIHAUMXSKDFMHV-UHFFFAOYSA-N 300.326 -0.267 30 20 DBED N#Cc1nc(=N[C@H](CNC(=O)[C@@H]2COC(=O)N2)C2CC2)cc[nH]1 1096660731 YYHRRRUTWIZAOM-ZJUUUORDSA-N 316.321 -0.815 30 20 DBED C#CCCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C[C@@H]1CC(=O)NC1=O 1096681432 WDDFVEHBIOSBQF-NDBYEHHHSA-N 303.362 -0.216 30 20 DBED C[C@@H](CNC(=O)c1cn(C)c(=O)n1C)Nc1cncc(C#N)n1 1097895631 BASVKIKAFPHXEE-VIFPVBQESA-N 315.337 -0.384 30 20 DBED C[C@H](CNC(=O)[C@@H]1CCCN1C(N)=O)N=c1cc[nH]cc1C#N 1097920477 XKGOXDUZIXZMSV-MFKMUULPSA-N 316.365 -0.165 30 20 DBED Cc1cc(C#N)nc(N[C@@H](C)CNC(=O)[C@H]2CNC(=O)N2)n1 1098249998 FYWZBGWVJRCROV-WCBMZHEXSA-N 303.326 -0.745 30 20 DBED C=CCO[C@H](C)C(=O)N1CCC(N(CCO)CC(N)=O)CC1 1098578132 YKAUKUCLWNNXSD-GFCCVEGCSA-N 313.398 -0.652 30 20 DBED Cn1ncc(CN2CC[C@H](NC(=O)CSCC#N)[C@H](O)C2)n1 1099693540 UCLPMPQMZNQQPH-NWDGAFQWSA-N 324.410 -0.877 30 20 DBED C#CCOCCC(=O)N[C@H]1CCN(Cc2nonc2C)C[C@H]1O 1099832992 PUJAHNBAKDGGAB-GXTWGEPZSA-N 322.365 -0.531 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)C23CCN(CC2)C3)[C@H](O)C1 1100074160 JTFAFMKEYCUVSX-HUUCEWRRSA-N 323.437 -0.164 30 20 DBED C#CCNC(=O)[C@H](C)NC1CC(CNC(=O)c2cncnc2)C1 1100266403 ITLMOTPSLJOPGA-DCBWTQNWSA-N 315.377 -0.288 30 20 DBED N#CCNC(=O)CNC1CC(CNC(=O)C2=CCOCC2)C1 1100267932 AIEDDQYUHRAANR-UHFFFAOYSA-N 306.366 -0.543 30 20 DBED COc1nn(C)cc1C(=O)NCCN(C)c1ccc(C#N)nn1 1100278879 VDLOFSJTJNLPDR-UHFFFAOYSA-N 315.337 -0.043 30 20 DBED CN(CCNC(=O)[C@H]1CCCCC(=O)N1)c1cncc(C#N)n1 1100320217 RQJCAQLWIIAOSP-GFCCVEGCSA-N 316.365 -0.041 30 20 DBED C[C@@H](C(=O)NCCN(C)c1cncc(C#N)n1)[C@@H]1CCC(=O)N1 1100334144 TWWKATGZZQYZGM-PWSUYJOCSA-N 316.365 -0.185 30 20 DBED CCN1C[C@H](C(=O)NCCN(C)c2cnc(C#N)cn2)CC1=O 1100383789 NLVVTDZKTWMBFL-LLVKDONJSA-N 316.365 -0.231 30 20 DBED CN(CCNC(=O)c1cn(C)c(=O)cn1)c1ccncc1C#N 1100417664 CMIBWSPVNOWFDO-UHFFFAOYSA-N 312.333 -0.087 30 20 DBED N#CCNC(=O)CNC1CC(CNC(=O)Cc2cnoc2)C1 1100602729 DEFPLGUQNKIAFH-UHFFFAOYSA-N 305.338 -0.659 30 20 DBED C[C@@H](CC(N)=O)C(=O)NC[C@H]1CCN(c2ccnc(C#N)n2)C1 1101036772 SPWFSYOTNAWJDG-WDEREUQCSA-N 316.365 -0.198 30 20 DBED C#CCNC(=O)CC(=O)N(C)CCNc1cnc(C#N)cn1 1101550817 BNTZUCAZSKVTJR-UHFFFAOYSA-N 300.322 -0.642 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)[C@H]1CCCC(=O)N1 1101825739 LQVHHLGKBWFQLN-SNVBAGLBSA-N 302.338 -0.691 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)C(=O)NCC(F)F 1101852736 LWAUPZHNKDBXFM-UHFFFAOYSA-N 312.280 -0.978 30 20 DBED CN(C(=O)CNC(N)=O)[C@H]1CCN(c2cncc(C#N)n2)C1 1102668860 WANPFZZIQFQQCH-JTQLQIEISA-N 303.326 -0.946 30 20 DBED CC[C@H](CNC(=O)Cn1nccn1)Nc1cncc(C#N)n1 1103214380 QDAIGEFFVRJSFG-SNVBAGLBSA-N 300.326 -0.053 30 20 DBED C#CCNC(=O)CNCC[C@@H]1CN(C(=O)c2cc[nH]n2)C[C@H]1C 1103910184 JXVQSONUJIKNFC-CHWSQXEVSA-N 317.393 -0.153 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)[C@@H]1COC(=O)N1 1104546193 ZGOVEJLXLZGSDL-IUCAKERBSA-N 304.310 -0.863 30 20 DBED Cc1nn(C)cc1C(=O)N1CC(n2cc(CNCC#N)nn2)C1 1105197614 ZTTACXRAFIHMAB-UHFFFAOYSA-N 314.353 -0.370 30 20 DBED C=CCNCc1cn(C2CN(C(=O)Cc3cncn3C)C2)nn1 1105361012 NBSBVNSEKMUDGX-UHFFFAOYSA-N 315.381 -0.087 30 20 DBED Cn1cncc1CC(=O)N1CC(n2cc(CNCC#N)nn2)C1 1105361255 VKJAGESFPUXBSN-UHFFFAOYSA-N 314.353 -0.749 30 20 DBED CCC(=O)NCC(=O)NC[C@@H](O)CNc1ccc(C#N)c(C)n1 1105771339 JMKKSRMKONPJNC-LBPRGKRZSA-N 319.365 -0.323 30 20 DBED Cn1c(C(=O)NC[C@H](O)CNc2ccc(C#N)nc2)cnc1O 1106052311 XTCVHTVNYKXJAS-LLVKDONJSA-N 316.321 -0.405 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)Cc2cnoc2)nn1 1106070580 WQPVAEWJAIOCPQ-LLVKDONJSA-N 302.294 -0.532 30 20 DBED Cn1cc(C(=O)NC[C@@H](O)CN=c2cc[nH]cc2C#N)nc1O 1106092496 GWVNKKJDZVMPNH-JTQLQIEISA-N 316.321 -0.983 30 20 DBED Cc1ncc(C(=O)NC[C@H](O)CNc2cncc(C#N)n2)n1C 1106093046 SVSOYNNZJYMPQM-LLVKDONJSA-N 315.337 -0.407 30 20 DBED C[C@@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)c1cn(C)c(O)n1 1106561633 WGZCSCKGSAAMOS-VIFPVBQESA-N 315.337 -0.170 30 20 DBED C[C@@H]1OCCO[C@@H]1C(=O)N[C@H](C)CCN=c1cc[nH]c(C#N)n1 1106626406 WDORLZGFCBOQPZ-SUNKGSAMSA-N 319.365 -0.119 30 20 DBED N#Cc1cncc(NC/C=C/CNC(=O)[C@H]2C[C@H]2C(N)=O)n1 1107517740 ZKGHSDXOWNUBBR-OIDVMBJGSA-N 300.322 -0.446 30 20 DBED C[C@H](CNc1ccc(C#N)nn1)NC(=O)[C@@H]1CCNC(=O)C1 1107686594 HAXRZHCYEHBDGS-NXEZZACHSA-N 302.338 -0.209 30 20 DBED CC[C@@]1(C(=O)N[C@H](C)CN=c2cc[nH]c(C#N)n2)CCNC1=O 1108200999 GWEXMDBFNINZKD-MEBBXXQBSA-N 316.365 -0.397 30 20 DBED Cc1cc(C#N)nc(NC[C@H](C)NC(=O)C2CS(=O)(=O)C2)n1 1108547374 DKULTWMRRPSNRR-VIFPVBQESA-N 323.378 -0.382 30 20 DBED COc1nc(C(=O)N[C@@H](C)CN=c2cc[nH]c(C#N)n2)co1 1108619516 LBYAAZYHXOVGMY-QMMMGPOBSA-N 302.294 -0.003 30 20 DBED CN(CCCN=c1cc[nH]c(C#N)n1)C(=O)C[C@H]1CCC(=O)N1 1109480248 BEDUERMEYKVLND-LLVKDONJSA-N 316.365 -0.301 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)COCCC 1110362615 PTWVVPRGGMLJCR-MCIONIFRSA-N 307.394 -0.116 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CN(c2ncnc3[nH]cnc23)C[C@@H]1O 1111177046 VTABCNYCDXBRGC-GUBZILKMSA-N 315.337 -0.480 30 20 DBED C[C@H](C#N)C(=O)NC1CC(CNc2nccn3nnnc23)C1 1112824390 NNLNEPKXQZNAET-XNWIYYODSA-N 300.326 -0.014 30 20 DBED N#Cc1nc(=NCC2CC(NC(=O)CCNC(N)=O)C2)cc[nH]1 1112840034 DHAYMORDVFHMNK-UHFFFAOYSA-N 317.353 -0.865 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)CN(C)C(C)=O)[C@H]2C1 1113901177 FIHBFQBUSCLGAV-PBOSXPJTSA-N 322.409 -0.798 30 20 DBED C#CCOCCC(=O)NC1[C@@H]2CN(Cc3nnc(C)o3)C[C@@H]12 1114265377 CWDXMAWGTICTFY-VXGBXAGGSA-N 304.350 -0.036 30 20 DBED C#CCO[C@H](C)C(=O)NC1[C@H]2CN(Cc3nc(O)n[nH]3)C[C@H]12 1114271619 YHWPBIKQZWCWSA-UTLUCORTSA-N 305.338 -0.905 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1[C@H]2CN(CC(=O)NCC)C[C@H]12 1114420942 KCKYXRRSFIOLOM-IHRRRGAJSA-N 318.421 -0.734 30 20 DBED C#CCN1C[C@@H]2C(NC(=O)CN(C)CC(=O)NC(C)C)[C@H]2C1 1114520933 DUSNRSIITLJILC-STQMWFEESA-N 306.410 -0.878 30 20 DBED C=CCCCN1C[C@@H]2C(NC(=O)CCn3ncn(C)c3=O)[C@H]2C1 1114619337 UQTZGGDQHZXPBC-STQMWFEESA-N 319.409 -0.016 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1C[C@H](CNc2ncccn2)C1 1114756663 RDPOSWQNKVDUQE-HAQNSBGRSA-N 301.350 -0.077 30 20 DBED C=C(C)CN1C[C@H]2[C@H](NC(=O)CCn3cc[nH]c(=O)c3=O)[C@H]2C1 1114987076 UJAMWWWVSDYEEN-IMRBUKKESA-N 318.377 -0.451 30 20 DBED CC#CCN1C[C@H]2[C@H](NC(=O)COCc3ncnn3C)[C@H]2C1 1115047572 YSYFQRZYOAFALL-JYAVWHMHSA-N 303.366 -0.599 30 20 DBED CC#CCN1C[C@H]2C(NC(=O)COCc3nncn3C)[C@@H]2C1 1115055623 KAKBZYKKLCRBBQ-VXGBXAGGSA-N 303.366 -0.599 30 20 DBED C[C@@H](CN(C)C(=O)[C@H]1CCC(=O)N1)Nc1ccc(C#N)nn1 1115656578 MWWPXEPOFZIAFV-GXSJLCMTSA-N 302.338 -0.114 30 20 DBED CO[C@H]1CCN(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1 1116227698 QFJLCLRQGFKDFO-ZFEMDRMUSA-N 308.338 -0.057 30 20 DBED C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)NC[C@@H](O)CO 1116721747 QAAVDQONISDGIT-VHSXEESVSA-N 307.306 -0.615 30 20 DBED C=CC1CCN(C(=O)C(=O)N[C@H](C)CS(C)(=O)=O)CC1 1117378152 UAOVBGRZWGWOGR-SNVBAGLBSA-N 302.396 -0.040 30 20 DBED C[C@H](CN(C)C(=O)Cn1nccn1)Nc1nccnc1C#N 1120199336 GZKZTCWHKWGIAX-SNVBAGLBSA-N 300.326 -0.101 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)c2cnns2)nn1 1121091638 DNVTXHWMGQGNAG-QMMMGPOBSA-N 305.323 -0.597 30 20 DBED N#Cc1nc(=N[C@H](CO)CNC(=O)C2CC(F)(F)C2)cc[nH]1 1121287843 JDAGUQQXGWVDGE-VIFPVBQESA-N 311.292 -0.296 30 20 DBED CCn1ncc(C(=O)NC[C@@H](CO)Nc2ccc(C#N)cn2)n1 1121472152 NRIOBEQMNDRVCT-NSHDSACASA-N 315.337 -0.233 30 20 DBED C[C@@H]1[C@@H](N=c2cc[nH]c(C#N)n2)CCN1C(=O)CCNC(N)=O 1123011913 FSQPTZWIXMZFSG-ZJUUUORDSA-N 317.353 -0.770 30 20 DBED N#Cc1ccc(NC[C@H]2CC[C@H](NC(=O)CNC(N)=O)C2)nn1 1123719285 MXNPYVQVEHWTRC-UWVGGRQHSA-N 317.353 -0.287 30 20 DBED CN(C[C@H](O)CNc1nccnc1C#N)C(=O)Cc1cnoc1 1124689643 XELWNULPORCGBV-LLVKDONJSA-N 316.321 -0.190 30 20 DBED CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)C#CC(C)(C)C 1126893687 TWDDYESOESADRI-NSHDSACASA-N 310.398 -0.024 30 20 DBED C=C(C)CN1C[C@H](n2ccnn2)[C@H](NC(=O)CC(=O)NCC)C1 1128908401 WAYABJKBZNWNME-OLZOCXBDSA-N 320.397 -0.278 30 20 DBED C#CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H](C)CC(N)=O)C1 1129154619 VTCOXIDGPUWLSP-UPJWGTAASA-N 318.381 -0.846 30 20 DBED C=CCNC(=O)CN1CCNC(=O)CCN(C(=O)CC)CC1 1131316510 LSFWZDXQZCASBO-UHFFFAOYSA-N 310.398 -0.651 30 20 DBED C#CCN[C@@H]1CCO[C@H]1C1CCN(C(=O)CNC(=O)OC)CC1 1131437300 UUPULHDFJBEJOU-HIFRSBDPSA-N 323.393 -0.039 30 20 DBED CNS(=O)(=O)CCC(=O)N[C@@H]1CC[C@@H](C)N(CC#N)C1 1132039251 XQBNTJGMICXCJM-GHMZBOCLSA-N 302.400 -0.582 30 20 DBED CCCN(C)CC(=O)N[C@@H]1CC[C@@H](C)N(CC(=O)NCC#N)C1 1132441194 LXZPFBQQMHOLDW-ZIAGYGMSSA-N 323.441 -0.063 30 20 DBED C[C@@H]1CCN(C(=O)c2ncc[nH]2)C[C@H]1CNCC(=O)NCC#N 1132799829 NVNUBFLSPYQBEP-VXGBXAGGSA-N 318.381 -0.263 30 20 DBED C=CCOCCNC[C@H]1CN(C(=O)Cn2ncnn2)CC[C@H]1C 1132825042 WZEYJJYZPZCNKD-KGLIPLIRSA-N 322.413 -0.050 30 20 DBED C=CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)c1[nH]nnc1C 1135161276 LNFVXNPRECRAED-NXEZZACHSA-N 308.386 -0.098 30 20 DBED C[C@@H](C[C@@H](C)NCC(=O)NCC#N)NC(=O)c1ccnnc1 1135541009 XMFUFAJHRBHMOG-MNOVXSKESA-N 304.354 -0.397 30 20 DBED N#CCNC(=O)CN1CCC2(C1)CN(C(=O)c1cn[nH]c1)C2 1147033365 DZJUULMZRMAAHO-UHFFFAOYSA-N 302.338 -0.803 30 20 DBED C#CCN1CCC2(C1)CN(C(=O)CNC(=O)c1ccccn1)C2 1148818374 BHWUKUXVEZDZSH-UHFFFAOYSA-N 312.373 -0.021 30 20 DBED CC#CCN1CCCO[C@H](CNC(=O)CS(C)(=O)=O)C1 1149374998 MJFNPNKRJKCWMH-GFCCVEGCSA-N 302.396 -0.739 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(CC(=O)NCC#N)CCCO1 1149431368 IZWPQGLXEUODJT-CYBMUJFWSA-N 324.381 -0.964 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)Cn2nnnc2C(C)C)C1 1150425211 HXLOREOMQFTCJQ-CYBMUJFWSA-N 320.397 -0.363 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@H]1CCCCN1CC 1152458621 RRZIALYABGTWGT-UONOGXRCSA-N 308.426 -0.296 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)[C@H]2CCCN2C(C)=O)C1=O 1152788580 BLVIWWQYYAXVNR-ZIAGYGMSSA-N 322.409 -0.510 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H](C)N(CC)Cc1cn(C)nn1 1152854902 MZCKXQQFRDFHCQ-GFCCVEGCSA-N 320.397 -0.719 30 20 DBED N#CCOc1ccc(CNCCCNC(=O)CNC(N)=O)cc1 1154457849 PRKYJUMPJHQXSN-UHFFFAOYSA-N 319.365 -0.147 30 20 DBED C=CCNC(=O)CN(CC)[C@H](C)CNC(=O)CCn1cnnn1 1155993967 CKJIRAZUFSXCHX-GFCCVEGCSA-N 323.401 -0.808 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)C[C@H]1CCN(C)C1 1171226670 JCHDTTJAONNQQP-UONOGXRCSA-N 308.426 -0.438 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@@H]1CCc2c[nH]nc2C1 1176628112 PKEXZCXKRDMDJH-GFCCVEGCSA-N 319.409 -0.087 30 20 DBED C=CCCN1CCO[C@@H]2CCN(C(=O)CCNC(N)=O)C[C@H]21 1177144193 LIYLWGGXHNTPBP-CHWSQXEVSA-N 310.398 -0.077 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H](NC[C@H](O)COC)[C@@H]2C)nn1 1179674762 ZHKVKGVNKFFIOX-AVGNSLFASA-N 323.397 -0.336 30 20 DBED C#CCOCCC(=O)N1C[C@@H](C)[C@](C)(CN[C@@H](C)C(N)=O)C1 1181448746 QXOITLNXTVIFFF-DVOMOZLQSA-N 309.410 -0.026 30 20 DBED C=CCCO[C@H](C)C(=O)N1CC[C@@H](NCc2nnnn2C)C1 1181475613 GNONDXLQUHTTLX-VXGBXAGGSA-N 308.386 -0.118 30 20 DBED C=CCCn1cc(C(=O)N2CC[C@@H](N[C@@H](C)C(=O)NC)C2)nn1 1186221140 IAVFRCZSWJVBKS-NWDGAFQWSA-N 320.397 -0.207 30 20 DBED C=CCNC[C@H]1CN(C(=O)Cn2ncnn2)CC12CCOCC2 1186374000 PWMJZJABFCXJFM-ZDUSSCGKSA-N 320.397 -0.296 30 20 DBED N#CCNC(=O)CN1C[C@@H]2CCN(C(=O)C3=COCCO3)[C@@H]2C1 1186715426 DATZJGITUJPUNC-NWDGAFQWSA-N 320.349 -0.953 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@@H](NCC(=O)N(C)C)C2)nc1 1187207523 CVSHABAVDLVVJI-CYBMUJFWSA-N 300.362 -0.045 30 20 DBED C#CCOCCC(=O)N1CC[C@H]2CN(Cc3ncnn3C)C[C@H]21 1187874204 PGRAXXKCPNVEJA-UONOGXRCSA-N 317.393 -0.112 30 20 DBED C=C(C)CN1C[C@@H]2CCN(C(=O)CN(C)S(C)(=O)=O)[C@@H]2C1 1188103173 XOHLCDMBWMNFHN-QWHCGFSZSA-N 315.439 -0.013 30 20 DBED C=CCCOCC(=O)N1CC[C@H]2CN(Cc3nnn(C)n3)C[C@H]21 1190424657 BVGSCSGVCBUJOW-QWHCGFSZSA-N 320.397 -0.165 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)c2cnn(C)c2C)C1 1191012415 YWKJWEBWDSLRTB-ZIAGYGMSSA-N 306.366 -0.847 30 20 DBED N#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C=C2CCCCC2)C1 1191440056 MDFABOLWELEVME-ZIAGYGMSSA-N 320.393 -0.322 30 20 DBED COCC#CCN(C)[C@H]1CCN(C(=O)c2cnc(O)n2C)C1 1191707414 NCTJDEDVBCPPHF-LBPRGKRZSA-N 306.366 -0.078 30 20 DBED CCCn1ncnc1CN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)C#N)C1 1191855032 UYSSBZYKPHYSAF-QJPTWQEYSA-N 306.370 -0.491 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(Cc2cnc(C)nc2)C[C@H]1O 1192531371 VIUYIBMIGGZGBC-FMKPAKJESA-N 320.393 -0.227 30 20 DBED C=CCn1cc(C(=O)N2CC[C@@H](N(C)[C@@H](C)C(=O)NC)C2)nn1 1192723303 GNSXXJUEJDSIQE-NWDGAFQWSA-N 320.397 -0.255 30 20 DBED CCO[C@H](C(=O)N[C@@H]1CN(CC#CCOC)C[C@H]1O)C(C)C 1192852171 FAGULLIGYSVETK-KFWWJZLASA-N 312.410 -0.141 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C/C=C(\C)C=C)C1 1195412670 LJRYCZQQKWJNDW-BARLUBHISA-N 305.378 -0.581 30 20 DBED N#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@]23CCCC[C@@H]2C3)C1 1196003489 DRWIXSGRLGGYAK-JXFSHQFZSA-N 320.393 -0.632 30 20 DBED C=CCNC(=O)[C@H](C)N1CCCN(C(=O)[C@@H](C)CC(N)=O)CC1 1196771125 SJBCBAZHZRSEHV-STQMWFEESA-N 324.425 -0.277 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)c2ncccc2F)C1 1197140386 WGARTHCYTBVZLZ-CHWSQXEVSA-N 307.325 -0.355 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(CC#CCOC)C[C@H]2O)cn1 1197926675 SIKJVQXHYMCZIX-HZPDHXFCSA-N 313.357 -0.512 30 20 DBED C=CCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC(=O)N(C)C2)C1 1199087945 DTBWSDRIWNRWCI-MGPQQGTHSA-N 309.410 -0.018 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)CN(C)C2CCC2)CC1 1201066457 KADWGMOAWZXTJA-UHFFFAOYSA-N 320.437 -0.199 30 20 DBED C#CCCNC[C@H]1CN(C(=O)C[C@@H]2CCC(=O)N2)CCCO1 1201620155 CIFZGFNHGUUQDQ-KBPBESRZSA-N 307.394 -0.115 30 20 DBED C[C@@H]1CN(C)C[C@H]1C(=O)N1CCC(NCC(=O)NCC#N)CC1 1202504901 WRFGQAWJARUDNP-TZMCWYRMSA-N 321.425 -0.596 30 20 DBED CC#CCNC1CCN(C(=O)CN2C(=O)NC(=O)C2(C)C)CC1 1203192999 GMGDNFOBOKGCEV-UHFFFAOYSA-N 320.393 -0.079 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)C2(N(C)C)CCC2)[C@H](C)C1 1207545064 CSPJUHATRCZBSO-ZIAGYGMSSA-N 320.437 -0.343 30 20 DBED CCNC(=O)NC(=O)CN[C@H]1CCCN(C(=O)C#CC2CC2)C1 1207998940 SHUMZFSEFCDHHX-ZDUSSCGKSA-N 320.393 -0.174 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)c2cnc(O)n2C)C1 1208941097 CXTFFPQRRNTKFY-LLVKDONJSA-N 319.365 -0.931 30 20 DBED CO[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@H]1NC(=O)CC(N)=O 1212069376 WKRGTKFDSJLPQQ-ZIAGYGMSSA-N 316.361 -0.251 30 20 DBED C[C@@H]1CN(C(=O)c2ncccn2)C[C@H]1NCC(=O)NCC#N 1216020647 ZWWVUCSFWOWASF-GHMZBOCLSA-N 302.338 -0.834 30 20 DBED C=CCOCCCC(=O)N[C@@H]1CN(Cc2nncn2C)C[C@@H]1O 1219424907 YYTPPUQSIHVUJH-OLZOCXBDSA-N 323.397 -0.541 30 20 DBED N#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)CCC2CCC2)C1 1219436525 DJQIXQLVCOSLMW-OLZOCXBDSA-N 308.382 -0.632 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(CC/C=C\CC)C[C@@H]1O 1219487112 CYMKTOVTSLKVHG-QJTIAFMVSA-N 307.394 -0.357 30 20 DBED CCCCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)C#CC2CC2)C1 1219596390 SHGHFWDHFPOEHK-YUELXQCFSA-N 321.421 -0.134 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1CN(Cc2nnnn2C2CC2)C[C@@H]1O 1220141022 HBQSVYRBPJPALP-NEPJUHHUSA-N 320.397 -0.119 30 20 DBED CC#CCCCC(=O)N[C@@H]1CN([C@H]2CCN(CC)C2=O)C[C@@H]1O 1220186090 XUGBVZOYZQFDDK-ILXRZTDVSA-N 321.421 -0.038 30 20 DBED C=CCC[C@@H](C)N1C[C@H](O)[C@H](NC(=O)CN2C(=O)CCC2=O)C1 1220934454 ZXEMOHQHRQHSKA-UPJWGTAASA-N 323.393 -0.349 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CCCC[C@H]1NC(=O)CC(=O)NC 1225861928 WMMUHOWAGATBAK-JHJVBQTASA-N 324.425 -0.170 30 20 DBED C[C@@H](C(=O)NC(N)=O)N1CCC(NC(=O)C#CC2CC2)CC1 1227272624 JKEOFNNUTUFFEO-JTQLQIEISA-N 306.366 -0.436 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC(NC(=O)c2ccnnc2)CC1 1229337175 JHGWZGAPVJTAFM-LBPRGKRZSA-N 315.377 -0.191 30 20 DBED CC#CCN1CCC(NC(=O)[C@@H](CCC(N)=O)NC(C)=O)CC1 1229626433 WZKDZHSUIUFUMZ-CQSZACIVSA-N 322.409 -0.640 30 20 DBED CCCNC(=O)NC(=O)CN1CC[C@H]1CN(C)C(=O)[C@@H](C)C#N 1231246221 DXSQUYMTVAQCNP-RYUDHWBXSA-N 323.397 -0.085 30 20 DBED CN(C[C@H]1CCN1CC(=O)NCC#N)C(=O)c1ncccc1O 1233837512 OJQLMFDCRBAJIN-LLVKDONJSA-N 317.349 -0.427 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)CCCNC(=O)CCn1cncn1 1234035927 UVUXNZIYPNUUCY-CYBMUJFWSA-N 320.397 -0.756 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N1CCN(CC(C)(C)O)CC1 1261328661 MOPCDIFKYKQERF-UHFFFAOYSA-N 319.405 -0.613 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)[C@H]2CC(=O)N(CC)C2)C1 1316978731 CRYKYPDOIBVRDW-STQMWFEESA-N 322.409 -0.653 30 20 DBED CC(=O)N1C[C@H]2[C@@H](NC(=O)NCC(=O)NCC#N)CCC[C@H]2C1 1324026116 YJCZEDBBXAWWFP-XQQFMLRXSA-N 321.381 -0.428 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N[C@@H]1CCOC[C@H]1OCC 1326818748 XSKMZIASBBWESE-ZIAGYGMSSA-N 306.362 -0.218 30 20 DBED C=CCN(CCOC)C(=O)C(=O)NCc1ccc(C)n(C)c1=O 1327504081 PMJYQTJWIOXDSM-UHFFFAOYSA-N 321.377 -0.029 30 20 DBED C[C@@H]1CS(=O)(=O)CCN1C(=O)C(=O)Nc1ccc(C#N)cn1 1327834436 NMDYWHFZEQEJRN-SECBINFHSA-N 322.346 -0.463 30 20 DBED C=CCn1cc(C(=O)N2CCC(CS(N)(=O)=O)CC2)nn1 1328581092 HAPTZUDINPEIKF-UHFFFAOYSA-N 313.383 -0.395 30 20 DBED N#CC1CCN(C(=O)C(=O)NC[C@H]2CC(=O)N(C3CC3)C2)CC1 1328780285 MNYGPYLNHNKNHN-GFCCVEGCSA-N 318.377 -0.124 30 20 DBED Cc1cc(NC(=O)C(=O)NC[C@@H](C)C(=O)O)nn1CCC#N 1329111817 BUUHVFBXMFZNNJ-MRVPVSSYSA-N 307.310 -0.119 30 20 DBED C#CCNC(=O)C1CCN(C(=O)C(=O)N[C@@H](C)C[C@H](C)N)CC1 1329470709 SGOFEFRHYAZPCC-RYUDHWBXSA-N 322.409 -0.784 30 20 DBED C#C[C@@H](NC(=O)C(=O)Nc1ccnc(COC)n1)[C@H]1CCCO1 1330298717 GQTAAJVFVNHLHY-GHMZBOCLSA-N 318.333 -0.142 30 20 DBED C=CCn1c(CCc2nn[nH]n2)nnc1N1C[C@H]2COC[C@H]2C1 1342038536 RIGCVAAMIWGTJO-PHIMTYICSA-N 316.369 -0.155 30 20 DBED COC(=O)[C@H](CNC(=O)C#CC1CCNCC1)[C@H]1CCOC1 1342685290 NJVDYPOJPGXZMG-UONOGXRCSA-N 308.378 -0.069 30 20 DBED Cc1nn(C)cc1[C@@H](C)NC(=O)C(=O)N1CCO[C@@H](C#N)C1 1345289280 HMJSFVODOBUFDG-KOLCDFICSA-N 305.338 -0.343 30 20 DBED N#CC[C@H]1CCCN(C(=O)C(=O)N2CC(N3CCCC3=O)C2)C1 1353097961 HYTBQQKVAAFIGF-GFCCVEGCSA-N 318.377 -0.028 30 20 DBED N#Cc1cn(CCC(=O)N[C@@H](CO)CC2CC2)c(=O)nc1O 1362488610 QGHRKCLUTNVOKA-LLVKDONJSA-N 306.322 -0.512 30 20 DBED CN(CC1(O)CCC1)C(=O)CCn1cc(C#N)c(O)nc1=O 1362622075 SBUJMNZAMBBPBG-UHFFFAOYSA-N 306.322 -0.416 30 20 DBED N#Cc1ccc(C(=O)N2CCN(CCS(N)(=O)=O)CC2)o1 1364052039 ZNPKPTSPLWZVTP-UHFFFAOYSA-N 312.351 -0.802 30 20 DBED N#Cc1cc(NC(=O)NC(CO)(CO)CO)c(F)cc1F 1364425251 NKRFUORWJQOHCF-UHFFFAOYSA-N 301.249 -0.326 30 20 DBED CCS(=O)(=O)NCCS(=O)(=O)NCC1(C#N)CCC1 1364888061 OBLJTGSKQJZXEL-UHFFFAOYSA-N 309.413 -0.461 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)CCc1nccn1C 1376678319 YVLJVOSDCAVYQI-GHMZBOCLSA-N 307.354 -0.894 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CCCN(C(=O)Cn2cncn2)C1 1386625032 PSYUPYDXKJHPDX-NEPJUHHUSA-N 304.354 -0.113 30 20 DBED Cc1nn(CC(=O)NC[C@@H](C)N(C)C(=O)[C@@H](C)C#N)c(=O)n1C 1395147886 BIIFUSNBGPTQTE-VHSXEESVSA-N 322.369 -0.987 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)CCN2CCCC2=O)CC1 1417137890 NCBDTDGJMFWYBN-LLVKDONJSA-N 306.366 -0.076 30 20 DBED C[C@@H](C(=O)NC(C)(C)C)N1CC(O)(CNC(=O)[C@H](C)C#N)C1 1421419335 QUSSMLHTNPJUJA-MNOVXSKESA-N 310.398 -0.388 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@@H](CNC(=O)c2ccc(=O)n(C)n2)C1 1426908258 TXMPPOVKFIRJSP-GARJFASQSA-N 317.349 -0.435 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](C)NC(=O)C(C)(C)N1CCOCC1 1428789278 YWHZINIDEKMQIV-NWDGAFQWSA-N 310.398 -0.122 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CN(C)C(=O)c1ccnc(O)c1 1444627543 NMICBPIBCFGNHT-KOLCDFICSA-N 306.322 -0.504 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CN(C)C(=O)CCc1ccon1 1444699800 YAIZMNKGSQKGCB-JQWIXIFHSA-N 308.338 -0.298 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H](C)CNC(=O)CCCS(N)(=O)=O 1450073976 GEHSHPIBLHEEEC-NXEZZACHSA-N 318.399 -0.822 30 20 DBED Cc1ncccc1CC(=O)NC[C@H](O)CNC(=O)[C@@H](C)C#N 1452401153 BDVPJLMXVLPGDK-GWCFXTLKSA-N 304.350 -0.315 30 20 DBED COC(=O)[C@@](C)(CO)NS(=O)(=O)c1ccc(C#N)s1 1475376781 IBCGDHDQRQTGDB-SNVBAGLBSA-N 304.349 -0.178 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CCN(CC(=O)NCC(C)C)C1 1479952234 IGGOIGNEXFCIDG-ZIAGYGMSSA-N 309.410 -0.013 30 20 DBED C=C(Br)CNC[C@@H](O)CNC(=O)[C@@H]1CCN(C)C1 1482790650 GXDWPKZWJVXGPK-GHMZBOCLSA-N 320.231 -0.087 30 20 DBED Cc1nc(CC(=O)N[C@H]2C[C@@H](CNC(=O)[C@H](C)C#N)C2)n[nH]1 1489846668 VUYKWHNBGDPJNY-IEBDPFPHSA-N 304.354 -0.174 30 20 DBED C=CCNC(=O)[C@H](C)N1CC[C@@H](NC(=O)c2ccncn2)C1 1494781985 RKZXYKRZAQBNBK-NWDGAFQWSA-N 303.366 -0.029 30 20 DBED CCn1cc(C#N)c(=O)n(Cc2ccncc2-c2nn[nH]n2)c1=O 1578736540 IEJHOWFPJUXFOT-UHFFFAOYSA-N 324.304 -0.475 30 20 DBED C[C@H](O)CN1CCN(c2cnc(-c3nn[nH]n3)c(C#N)n2)CC1 1580441306 IUJFHOFDKMRPLF-VIFPVBQESA-N 315.341 -0.969 30 20 DBED Cn1cnc(/C=C/C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[nH]2)c1 1581807949 CDUGOEBIBJRPSS-NSCUHMNNSA-N 310.281 -0.153 30 20 DBED C=CCN(C(=O)[C@H]1CC(C(=O)O)=NO1)[C@H]1CCS(=O)(=O)C1 1588460516 MNOKMSJVBHYZIT-WCBMZHEXSA-N 316.335 -0.582 30 20 DBED C=C(C)C[C@H](NC(=O)Cn1[nH]cc2c(=O)ncnc1-2)C(=O)O 1588543913 QCVAGWUISXAIKM-VIFPVBQESA-N 305.294 -0.393 30 20 DBED C=CCSCCNC(=O)C(=O)N1CCO[C@H](CC(=O)O)C1 1588878785 IOASZZJWJNDGOA-SNVBAGLBSA-N 316.379 -0.276 30 20 DBED N#C[C@@H]1CN(C(=O)NCc2ccc(-c3nn[nH]n3)cn2)CCO1 1592671737 NTZTUJNOFDUXAC-LLVKDONJSA-N 314.309 -0.304 30 20 DBED N#CCn1cc(NC(=O)C(=O)N2CCO[C@@H](CC(=O)O)C2)cn1 1601079430 XPGVNDIQAMGCEH-JTQLQIEISA-N 321.293 -0.953 30 20 DBED C#CCN(CC(=O)O)C(=O)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O 1602682567 QDZRLKLUXPUJBD-SFYZADRCSA-N 306.240 -0.010 30 20 DBED C[C@H]1CN(c2cnc(C#N)c(-c3nn[nH]n3)n2)CC[S@@](=O)C1 1603940633 JBBNWZNIHJSWPA-QSIZCVBASA-N 318.366 -0.267 30 20 DBED N#Cc1c[nH]c(C(=O)NCCN=c2cc[nH]cc2-c2nn[nH]n2)c1 1606356978 DKDNHJUZMDCXLU-UHFFFAOYSA-N 323.320 -0.275 30 20 DBED N#Cc1nc(N2CCC3(CC2)OCCO3)cnc1-c1nn[nH]n1 1606390026 UNKHEOTXRPODSC-UHFFFAOYSA-N 314.309 -0.128 30 20 DBED Cn1c(O)c(C(=O)/C=C\c2cc(C(=O)O)co2)c(=O)n(C)c1=O 1608091612 OUYKFOPHKWVEJZ-ARJAWSKDSA-N 320.257 -0.023 30 20 DBED C#CC[C@H](NC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)C(=O)O 1609076695 UZLYQYXCJJSKIZ-IUCAKERBSA-N 304.368 -0.457 30 20 DBED COCC#CCN(C)CCCNC(=O)[C@H](C)NS(C)(=O)=O 1752067881 FXGDOEMEGPETAQ-LBPRGKRZSA-N 319.427 -0.988 30 20 DBED C=CCNC(=O)NC(=O)CN1CCC[C@H](NC(=O)C2CC2)C1 1752310135 HDRBIXPFFOCUEV-LBPRGKRZSA-N 308.382 -0.011 30 20 DBED COCC#CCN[C@@H](C)CNC(=O)c1ccnc2[nH]nnc12 1752887439 WSPLPLHHVUAKAN-JTQLQIEISA-N 302.338 -0.289 30 20 DBED CC#CCN1CC[C@@H](CNC(=O)Cn2ccc(=O)n(C)c2=O)C1 1753128191 DBQGICOKUVFHLI-ZDUSSCGKSA-N 318.377 -0.992 30 20 DBED C[C@@H](CNC[C@H](O)CN1CCCC1=O)CNC(=O)C#CC1CC1 1753612845 LCTFGUIXQBHPCK-ZFWWWQNUSA-N 321.421 -0.275 30 20 DBED COCC#CCN1CCO[C@H](CNC(=O)C2(COC)CC2)C1 1753650987 DHWFPVMONOXXTH-CQSZACIVSA-N 310.394 -0.120 30 20 DBED C#CCNC(=O)CNC[C@@H]1[C@@H](C)CCCN1C(=O)CCN(C)C 1753809181 KMVDKJDBXJYVHK-LSDHHAIUSA-N 322.453 -0.096 30 20 DBED C#CCNC(=O)CNC[C@H](O)CNC(=O)C1[C@H]2CCCC[C@H]12 1753916459 PNTOBZKVDIFZLX-AVGNSLFASA-N 307.394 -0.761 30 20 DBED C=CCNC(=O)NC(=O)CN(C)C[C@H](C)NC(=O)[C@@H](C)C#N 1754306606 QILAHCGEXYCZKA-QWRGUYRKSA-N 309.370 -0.406 30 20 DBED C#CCCN1CC[C@H]1CNC(=O)[C@@H](NS(C)(=O)=O)C(C)C 1754498434 WAMJQMVXCYMTRG-STQMWFEESA-N 315.439 -0.226 30 20 DBED C#CCN(C(=O)CC)C1CCN([C@H](C)C(=O)NC(N)=O)CC1 1754632598 WXTNAJVBTPMTCE-LLVKDONJSA-N 308.382 -0.094 30 20 DBED COCC#CCN1CCC[C@@](CO)(NC(=O)c2cncnc2)C1 1754854695 XVJYRMMODAGZCO-MRXNPFEDSA-N 318.377 -0.317 30 20 DBED C#CCO[C@H](C)C(=O)N1CCOC2(CCN(CCO)CC2)C1 1755171204 MRKVNBJDVZHCIS-CQSZACIVSA-N 310.394 -0.290 30 20 DBED C[C@H](NC(=O)c1ncccc1O)[C@@H](C)NCC(=O)NCC#N 1755234999 WZWUEHRHZGYZCJ-ZJUUUORDSA-N 305.338 -0.477 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2cncnc2O)[C@@H]1C 1755655738 ASDBLFGLPACZRK-ZYHUDNBSSA-N 317.349 -0.876 30 20 DBED CC#CCN(C)C[C@@H](O)CN(C)C(=O)c1ccc(C(N)=O)cn1 1755807892 NGFIHPUVSIQGFE-CYBMUJFWSA-N 318.377 -0.432 30 20 DBED CNC(=O)CC(=O)N(C)C[C@H]1CCCN1C(=O)C#CC1CC1 1755915747 JSVSFLMPOJWSNW-CYBMUJFWSA-N 305.378 -0.015 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@H](CO)CNC(=O)c1[nH]c(C)nc1C 1756550319 SBLMFPHDTAUWOT-JQWIXIFHSA-N 324.381 -0.175 30 20 DBED CC(C)C#CC(=O)NC[C@H](O)CN(C)C(=O)CCn1cncn1 1756653534 GVJSQCWMQVAUHE-ZDUSSCGKSA-N 321.381 -0.737 30 20 DBED C#CCOCCC(=O)N1C[C@H](NC(=O)c2nc[nH]n2)CC[C@H]1C 1756803742 PSEDUMDFMRYQKR-VXGBXAGGSA-N 319.365 -0.046 30 20 DBED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CSC(=N)N)C[C@@H]21 1790790465 ARSHORKAYNBOMN-DCAQKATOSA-N 324.406 -0.774 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCCCC1 1795432560 RJMRKKSTUYRWLU-XOIINTDNSA-N 319.405 -0.305 30 20 DBED NCC(=O)Nc1cc([C@H]2CCCCN2C(=O)C#CC(=O)O)[nH]n1 1817245806 YESPSDJYBIHWFP-SNVBAGLBSA-N 319.321 -0.552 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@](C)(C#N)C2CC2)C1=O 5806672 CHVZMHFNAKABCD-CQSZACIVSA-N 304.306 -0.228 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@](C)(C#N)C2CC2)C1=O 5806673 CHVZMHFNAKABCD-AWEZNQCLSA-N 304.306 -0.228 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)c1ccc(S(=O)(=O)NC)cc1 27010227 WMPCMNZEJXCDAF-JTQLQIEISA-N 324.358 -0.111 30 20 DBED C[C@@H](C#N)CN(C)C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C 45852291 CXFKQHFOCOXQAW-VIFPVBQESA-N 315.333 -0.136 30 20 DBED CCN(C[C@H](C)C#N)C(=O)Cn1c(=O)c(C#N)cn(CC)c1=O 77233299 RLAFSKPVAWDXIS-LLVKDONJSA-N 317.349 -0.090 30 20 DBED C[C@H](C(=O)N(CCC#N)CCN1CCOCC1)n1cncn1 172167382 PAODCYLAJPIHOJ-CYBMUJFWSA-N 306.370 -0.086 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN[C@@H](C)[C@@H]2C)C1=O 262732240 BTHNHSUVGGAJOA-UWVGGRQHSA-N 308.338 -0.828 30 20 DBED CN1C[C@@H](NC(=O)CNC(=O)c2ccc(C#N)cc2)CC1=O 263802595 UBPFNTGAMCCANQ-LBPRGKRZSA-N 300.318 -0.365 30 20 DBED N#Cc1cc(F)ccc1S(=O)(=O)NCCOCC(N)=O 269745931 AIUCXQCRAUXLQF-UHFFFAOYSA-N 301.299 -0.522 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCCC[C@H]2CCN)C1=O 286105048 NUBNMKIPUWSBCQ-NSHDSACASA-N 322.365 -0.307 30 20 DBED C[C@@H]1CN(c2nccnc2C#N)CCN1CCN1CCNC1=O 290329736 OUANPBNPUVZENT-GFCCVEGCSA-N 315.381 -0.116 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCC(C)(C)CN(C)C)C1=O 299499624 HNOFITULTXTXNP-UHFFFAOYSA-N 324.381 -0.333 30 20 DBED C=CCC[C@@H](NC(=O)NCCNS(=O)(=O)CC)C(=O)O 316126992 RQZBFVHBYSDRKL-SECBINFHSA-N 307.372 -0.356 30 20 DBED CC(=O)N1CCN(CC/N=C(/O)[C@]2(O)CCSC2)CC1 329001958 HBDKDHPPNWFZRZ-ZDUSSCGKSA-N 301.412 -0.025 30 20 DBED Cc1ncc(S(=O)(=O)N2C[C@H]3OCCN(C)[C@@H]3C2)cc1C#N 330197672 SDDNYZOBNMDUHF-ZIAGYGMSSA-N 322.390 -0.035 30 20 DBED C[C@H]1CCN(S(=O)(=O)N(C)C[C@@H](C)C#N)CCS1(=O)=O 331914443 GFTFPJBDUOLVGX-QWRGUYRKSA-N 323.440 -0.168 30 20 DBED Cc1cc(CN2CCN(C(=O)Cn3cnc(C#N)n3)CC2)no1 331930995 MXLZHENERLBIOS-UHFFFAOYSA-N 315.337 -0.209 30 20 DBED C=CCCOCCNC(=O)C(=O)NCc1ccnc(N(C)C)n1 342011017 DLGHNPQWMHTVMF-UHFFFAOYSA-N 321.381 -0.132 30 20 DBED C=CCCOCCNC(=O)C(=O)N1CCC[C@@H]2C(=O)NC[C@@H]21 342029283 ZJRFFRWNEDQLQM-RYUDHWBXSA-N 309.366 -0.568 30 20 DBED CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NCCCC#N 345144617 FOXIRAFFYWKNQW-UHFFFAOYSA-N 318.399 -0.760 30 20 DBED C=CCNS(=O)(=O)c1ccc(C(=O)NC2(C(N)=O)CC2)cc1 346888574 DFKVFIYEXYENFN-UHFFFAOYSA-N 323.374 -0.101 30 20 DBED COC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccc(C#N)cc2)CCO1 348563553 QEBRXALCRYHQQB-LBPRGKRZSA-N 317.301 -0.103 30 20 DBED CCS(=O)(=O)N1CCC[C@H](C(=O)N[C@]2(C#N)CCOC2)C1 358449843 XRCLHBMDJSYRGQ-AAEUAGOBSA-N 315.395 -0.153 30 20 DBED C=CC[C@H](CO)CNC(=O)Cc1cc(S(N)(=O)=O)cn1C 362982001 FUROPESDWBDBQU-JTQLQIEISA-N 315.395 -0.484 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)NC[C@H]1CN(C)CCN1C 407953437 CRYWONQZNCMCLH-NEPJUHHUSA-N 303.432 -0.842 30 20 DBED C=CCN1CC[C@@H](N2CCC[C@@H]2C(=O)NCC(=O)OC)C1=O 419355017 LREAUXCVWUCMHI-VXGBXAGGSA-N 309.366 -0.473 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@](O)(CC)C2)C1=O 428729224 MTKWZSGKYOGPSZ-AWEZNQCLSA-N 309.322 -0.663 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@H](C)N[C@H](C)C2)C1=O 429396532 BTQRLHBRGWFJEC-AOOOYVTPSA-N 308.338 -0.828 30 20 DBED Cc1cc(S(=O)(=O)NCC(=O)NCC#N)sc1C(=O)O 505853356 LEHHXHIBAVJTEI-UHFFFAOYSA-N 317.348 -0.327 30 20 DBED N#Cc1ncn(CC(=O)NC[C@@H](O)COc2ccccc2)n1 532865210 LTBDDBOQWJRYPY-LLVKDONJSA-N 301.306 -0.294 30 20 DBED CCN1CCOC[C@@H]1C(=O)N(C)CCCc1[nH]nc(N)c1C#N 538254983 IFCOETLGUSWOOL-CYBMUJFWSA-N 320.397 -0.025 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N1CC(C)(C)OC[C@H]1C(=O)O 572411092 BYMDTIWBJFDILZ-UWVGGRQHSA-N 319.383 -0.113 30 20 DBED C[C@H](NC(=O)C(=O)N1CCNC(=O)C1)c1cccc(C#N)c1 587674370 MEGJCFBOZHYRAP-JTQLQIEISA-N 300.318 -0.306 30 20 DBED C=CCn1cc(C(=O)Nc2ncn(CC(=O)OCC)n2)nn1 592639003 MENLNRHFUSXIRB-UHFFFAOYSA-N 305.298 -0.129 30 20 DBED N#Cc1ccc(CS(=O)(=O)CC(=O)N2C[C@H](O)[C@@H](O)C2)cc1 600217392 XIXIVVFZMVJISJ-STQMWFEESA-N 324.358 -0.963 30 20 DBED Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)NCC1(C#N)CCC1 616350123 BPMFQZCJVLSOGZ-UHFFFAOYSA-N 324.362 -0.335 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCC[C@@H](C)N(C)C)C1=O 617750327 BGKSXHIVLLHNEJ-SNVBAGLBSA-N 310.354 -0.580 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCN(C)[C@@H]2C)CC1 648721299 IFAPZHAABZTORL-ZIAGYGMSSA-N 308.426 -0.227 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)c2cnc3n2CCC3)CC1 665757680 SFEMKEPESPCJHZ-UHFFFAOYSA-N 317.393 -0.111 30 20 DBED COCCNC(=O)[C@@H](C#N)C(=O)[C@@H]1CC(=O)N(CC(C)C)C1 729070323 UHAYDFVHTYVQOU-NEPJUHHUSA-N 309.366 -0.038 30 20 DBED C#CCCCCNC(=O)NCCS(=O)(=O)N1CCOCC1 758740219 ZJTKWDILKJOIEE-UHFFFAOYSA-N 317.411 -0.249 30 20 DBED N#CC1(CS(=O)(=O)NC(=O)CCn2cnccc2=O)CCC1 797097298 KNSQQWOKGMIHPC-UHFFFAOYSA-N 324.362 -0.227 30 20 DBED C#CCCCS(=O)(=O)N1CCC[C@H]1CS(=O)(=O)NC 805030165 YMTMBUBEXUVEPT-NSHDSACASA-N 308.425 -0.257 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@@]2(C)CC2(F)F)CC1 831579465 DMXXXURNOQFSMU-LLVKDONJSA-N 321.349 -0.357 30 20 DBED Cc1ccc(C(=O)N[C@H]2CNC[C@H]2C#N)cc1S(N)(=O)=O 843461465 LNPCYWJLGVAKCJ-MNOVXSKESA-N 308.363 -0.516 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCCCCCCN)C1=O 843510124 JYJCZKYKQWEANR-UHFFFAOYSA-N 310.354 -0.402 30 20 DBED CC#CC[C@@H](CO)NC(=O)CSc1nnc(CCC)n1N 844114773 KTDHHTGOBWNHFC-JTQLQIEISA-N 311.411 -0.073 30 20 DBED C#CCNC(=O)[C@@H](C)OC(=O)CN1C(=O)NC(CC)(CC)C1=O 853213595 UNNWDFBDMCFQFX-SNVBAGLBSA-N 323.349 -0.222 30 20 DBED COCCCn1cc(C(=O)NS(=O)(=O)CCC#N)cn1 860751707 GYPJHDOPKVRSPR-UHFFFAOYSA-N 300.340 -0.107 30 20 DBED CCC(C#N)(CC)C(=O)NS(=O)(=O)c1cc(C(N)=O)no1 860865268 OEKXDAMTFKDSSU-UHFFFAOYSA-N 314.323 -0.092 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)NCCc1ccn(C)n1 875319566 NIGTZXLBFAJHPR-LBPRGKRZSA-N 306.366 -0.377 30 20 DBED C#CC[C@@H](CCOC)NC(=O)[C@H]1CCCN1C(=O)CNC(C)=O 876072915 CLPARYGXTYVACL-UONOGXRCSA-N 323.393 -0.342 30 20 DBED C#CCCN1CCN(C(=O)CN2CCCCS2(=O)=O)CC1 878424057 MOKWMURBOGPFKZ-UHFFFAOYSA-N 313.423 -0.421 30 20 DBED C=CCS(=O)(=O)CCNS(=O)(=O)C[C@H](COC)OC 882058160 DKYIDRHGJOPFDS-JTQLQIEISA-N 315.413 -0.832 30 20 DBED C#CCN1CCC[C@@H](NC(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)C1 890367619 PVXWCHNYODFABS-VXGBXAGGSA-N 319.365 -0.970 30 20 DBED C=C[C@@](C)(O)C(=O)N1CCN(C(=O)N2CCN(C)CC2)CC1 896230955 VNAVKNXWSVBIRE-OAHLLOKOSA-N 310.398 -0.565 30 20 DBED CC(C)N1CCN(CCC(=O)N[C@@H]2CCCN(O)C2=O)CC1 908407842 XFWSCNMKGAKTMH-CYBMUJFWSA-N 312.414 -0.101 30 20 DBED C=C(Cl)CN1C(=O)N[C@H](CC(=O)N2CCOCC2)C1=O 914685811 HNIQRPQUIDOSPI-SECBINFHSA-N 301.730 -0.092 30 20 DBED O=C(NCC#CCO)N[C@H]1CCCN(Cc2ccccn2)C1=O 923772543 BYMLBBPBTMJJFU-AWEZNQCLSA-N 316.361 -0.133 30 20 DBED CN1C[C@H](C(=O)N(C)[C@H]2CCN(C(=O)C#CC3CC3)C2)NC1=O 937349333 DHIBKINNNDXMOF-QWHCGFSZSA-N 318.377 -0.517 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H]2CCN(C(=O)[C@H]3CCC(=O)N3)C2)c1 937794814 USEFPPVPVOMIEG-WDEREUQCSA-N 315.333 -0.504 30 20 DBED C#Cc1cncc(C(=O)N2CC[C@H](NC(=O)Cc3nc[nH]n3)C2)c1 938902339 GNUOWSJPXYMHDR-ZDUSSCGKSA-N 324.344 -0.246 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](N(C)C(=O)c2cc(=O)n(C)o2)C1 939398740 ZKIQHRQMWMHKKK-UWVGGRQHSA-N 306.322 -0.189 30 20 DBED C[C@H](C(=O)N[C@@H]1CCN(C(=O)C#CC2CC2)C1)n1cncn1 940082535 MQUNBCLRVJLLDF-DGCLKSJQSA-N 301.350 -0.030 30 20 DBED CCN(C(=O)c1c[nH]c(C#N)c1)[C@H]1CCN(C(=O)CC(N)=O)C1 942749924 QEGNWLSOVCNMHW-LBPRGKRZSA-N 317.349 -0.175 30 20 DBED C[C@H](C#N)C(=O)N1CCC2(CC1)CN(C(=O)Cn1cnnn1)C2 945030026 GVWCAMKZVKZISD-LLVKDONJSA-N 317.353 -0.716 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(O)(CN[C@H]2CCCN(C)C2=O)CC1 946918469 KQDNZFUEKSVSPQ-STQMWFEESA-N 322.409 -0.290 30 20 DBED CC#CCN1CCN(C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)CC1 950478845 NUKHMIADVUJYKY-UONOGXRCSA-N 307.394 -0.210 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]1CNC(=O)c1ccnc2[nH]nnc12 951326319 LUHSPUCKRUXAKF-RKDXNWHRSA-N 313.321 -0.157 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@@H](CNC(=O)c2cncnc2O)C1 958166764 AMKSVKQOWSVXLT-GXSJLCMTSA-N 312.757 -0.043 30 20 DBED N#CCN1C[C@@H](O)[C@H](CNC(=O)c2cnc3[nH]ncc3c2)C1 958176119 QFBNIKPSQOQMBK-VXGBXAGGSA-N 300.322 -0.496 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](CNC(=O)c2c[nH]c(=O)cn2)C1 958355509 MDFCXDUXYXGPPF-DGCLKSJQSA-N 306.366 -0.241 30 20 DBED C=C1CCC(C(=O)NC[C@@H]2CN(CC(=O)NC)C[C@H]2O)CC1 958368898 DSPNOIDYPJYNRF-ZIAGYGMSSA-N 309.410 -0.112 30 20 DBED C#CCN1C[C@@H]2C(NC(=O)c3ccc(S(N)(=O)=O)o3)[C@H]2C1 960776249 QPGRNHGHEHWGNU-IUCAKERBSA-N 309.347 -0.780 30 20 DBED C#CCN1C[C@@H]2C(NC(=O)c3cn(C4CCOCC4)nn3)[C@H]2C1 962232077 QXANBDKUQZQALN-STQMWFEESA-N 315.377 -0.077 30 20 DBED C#CCN1C[C@H]2C(NC(=O)c3nc(O)nc(O)c3OC)[C@@H]2C1 962279302 IPBRVWAQTMSETO-HTQZYQBOSA-N 304.306 -0.810 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CC3(F)F)C[C@@H]2O)c[nH]1 962388951 JXLBUNJMJXCCBN-AXFHLTTASA-N 324.287 -0.157 30 20 DBED C=C(C)CCN1C[C@@H]2C(NC(=O)Cn3nc(C)n(C)c3=O)[C@H]2C1 962433811 ZKDCLMYQJIFHID-STQMWFEESA-N 319.409 -0.097 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H](NC(=O)[C@]2(C)CCC(=O)N2)C1 965990821 YWPRSGLJLLMDMH-RWSFTLGLSA-N 306.366 -0.078 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CN(CC(N)=O)CC[C@@H]2C)nn1 968404441 FBUMOMQEXGLFSB-WDEREUQCSA-N 306.370 -0.610 30 20 DBED CC#CCN1CC([C@H](C)NC(=O)c2nccnc2C(N)=O)C1 970850566 DCDVBMJXMIXUJF-JTQLQIEISA-N 301.350 -0.351 30 20 DBED CN(Cc1nnnn1C)[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 971365114 BHHAJONNBDGGNX-NSHDSACASA-N 314.353 -0.244 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@]2(CN(Cc3cnnn3C)CCO2)C1 972296884 FMAVUTUNDSNRQM-DOMZBBRYSA-N 318.381 -0.222 30 20 DBED C=CCCN1CCO[C@]2(CCN(C(=O)CCn3cnnn3)C2)C1 972612780 WOVSMFCGHQEUGE-OAHLLOKOSA-N 320.397 -0.057 30 20 DBED CC(=O)N1CCOC[C@@H]1C(=O)N[C@@H]1CN(CC#N)CC1(C)C 977612368 HGDUICNDZCBOQO-CHWSQXEVSA-N 308.382 -0.416 30 20 DBED C#CCN1CCC(C(=O)NC2CN(C(=O)[C@H](O)C(C)C)C2)CC1 993855244 NCNNYKCIPFKILQ-OAHLLOKOSA-N 321.421 -0.325 30 20 DBED C=CCN1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCC(=O)N3)nn2)C1 1000034855 JXXOGLAGSRSIBT-OLZOCXBDSA-N 318.381 -0.394 30 20 DBED C[C@H](C#N)C(=O)N1CC(CNC(=O)c2nnn(C(C)(C)C)n2)C1 1002408472 IXJHALGLRIHVRN-SECBINFHSA-N 319.369 -0.224 30 20 DBED CC(=O)N1CCC[C@H]1C(=O)NCC1CN(C(=O)C#CC2CC2)C1 1003477694 OHKAXQIMBIQWMW-HNNXBMFYSA-N 317.389 -0.015 30 20 DBED C#CCCN1CCC(N(C)C(=O)Cn2c(O)nnc2O)CC1 1006347479 GSLIXINKXUMUFW-UHFFFAOYSA-N 307.354 -0.365 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC2(CN(C(=O)C(N)=O)C2)C1 1010824847 ZKHMTBXUWWNJRD-NEPJUHHUSA-N 321.377 -0.486 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2coc(S(N)(=O)=O)c2)C1 1014975320 GGAVRYQVEQYEPC-LLVKDONJSA-N 311.363 -0.246 30 20 DBED C#Cc1ccc(C(=O)N2CCC[C@H](NC(=O)C(N)=O)[C@H]2C)cn1 1015184631 OYRJQXFYYDIRAJ-MFKMUULPSA-N 314.345 -0.343 30 20 DBED C=CCCN1CC[C@H](NC(=O)C2(n3cnnn3)CCOCC2)C1 1015822054 DSOKZXMGMOJHIJ-ZDUSSCGKSA-N 320.397 -0.055 30 20 DBED C[C@@H](C#N)C(=O)N1CC=C(CNC(=O)[C@@H]2CCN(C)C2=O)CC1 1017650044 JXJHRMMVHWCZDX-AAEUAGOBSA-N 318.377 -0.101 30 20 DBED CC(=O)N1CCOC[C@H]1C(=O)N1[C@H]2CC[C@H]1CN(CC#N)C2 1018295049 YGSNPRXYMZEQJL-IHRRRGAJSA-N 306.366 -0.568 30 20 DBED CO[C@@H](C)C(=O)N1CCC[C@@H](C(=O)N2CCN(CC#N)CC2)C1 1018358110 LGVNBIFJJMOIIY-UONOGXRCSA-N 322.409 -0.072 30 20 DBED C[C@@H](NC(=O)c1cnc(O)n(C)c1=O)[C@@H]1CCCN(CC#N)C1 1025505409 HIJUOCKKENZCIB-GHMZBOCLSA-N 319.365 -0.160 30 20 DBED C=CCNC1CCC(NC(=O)Cn2cnc(C(N)=O)n2)CC1 1026497409 YJMQKTKFJARORS-UHFFFAOYSA-N 306.370 -0.420 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2CCCN2[C@H](C)C(=O)NC)nn1 1028187112 CHMJYRQTHILASY-VXGBXAGGSA-N 320.397 -0.207 30 20 DBED CC#CCN1[C@H]2CC[C@H]1CN(C(=O)CC[C@H]1NC(=O)NC1=O)C2 1029576234 BSBPUAXIANYKME-RWMBFGLXSA-N 318.377 -0.327 30 20 DBED C=CCN1CCCC[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C1 1034232902 YYBVABGMJGQACT-ZDUSSCGKSA-N 320.393 -0.296 30 20 DBED Cn1cnn(CC(=O)N2CCC3(CCN(CC#N)C3)CC2)c1=O 1035201799 MCDBBOSWQPABSK-UHFFFAOYSA-N 318.381 -0.580 30 20 DBED C=CCN1CCO[C@H](CNC(=O)[C@H]2CCc3nn[nH]c3C2)C1 1035572791 FJJCJUZVCZAWNY-NWDGAFQWSA-N 305.382 -0.087 30 20 DBED C[C@H](c1nnnn1C)N1CC[C@H]1CNC(=O)c1cc(C#N)c[nH]1 1038139502 KEBVHISRYSYIMB-KOLCDFICSA-N 314.353 -0.025 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2CCN2Cc2nnn(C)n2)cn1 1038934146 BDTMSWFFDIYODR-ZDUSSCGKSA-N 311.349 -0.409 30 20 DBED C=CCCC(=O)N1CC[C@@](O)(CNC(=O)C2CN(C(C)=O)C2)C1 1039571041 CELOZJUGQSIRDF-MRXNPFEDSA-N 323.393 -0.490 30 20 DBED C#CCCCC(=O)NC[C@@]1(O)CCN(C(=O)CCCC(N)=O)C1 1039580135 ODAXUPMYZPKPKS-INIZCTEOSA-N 323.393 -0.475 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)Cc2cncnc2)C1 1040762777 LLXZIBOEOWHFMI-NHYWBVRUSA-N 317.349 -0.742 30 20 DBED C=CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)c2cc(C)on2)C1 1041369895 BQAMEYRZHBDUTP-LLVKDONJSA-N 323.349 -0.123 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)c2ccnc(F)c2)C1 1041888270 CQUXQFBZKHPZDN-UHFFFAOYSA-N 323.324 -0.274 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)COCCN(C)C)C1 1041956700 WCXLNZIYIMEDLR-UHFFFAOYSA-N 313.398 -0.780 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(O)CN(C(=O)c2cncnc2)C1 1042807151 OSJRSKHCDGYIGP-AWEZNQCLSA-N 320.349 -0.893 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)[C@H]2CCN(C)C2)C1 1043116751 QHICYLHQBBLGRN-ZDUSSCGKSA-N 307.394 -0.713 30 20 DBED C[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1N=c1cc[nH]c(C#N)n1 1043161907 RPFOSWYOOXZNRN-NXEZZACHSA-N 312.337 -0.529 30 20 DBED CCC(=O)N[C@H](C)C(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1043405196 UAUMUGYXFOJOML-LLVKDONJSA-N 321.377 -0.996 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)[C@H]2CCC(=O)NC2)C1 1043796530 XRMNYGQZBRSROJ-LBPRGKRZSA-N 321.377 -0.994 30 20 DBED Cc1nnccc1C(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1044149993 XYDHQRYBWGBLMB-UHFFFAOYSA-N 314.345 -0.498 30 20 DBED C=CCCCC(=O)NCC1(O)CN(C(=O)C(C)(C)C(N)=O)C1 1045459212 YVRZJAOZUIDMIH-UHFFFAOYSA-N 311.382 -0.456 30 20 DBED Cc1ccnn1CC(=O)N1CC(O)(CNC(=O)[C@@H](C)C#N)C1 1045554846 KSGWTRRRCFBYKQ-JTQLQIEISA-N 305.338 -0.959 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCC1(O)CN(C(=O)c2ncc[nH]2)C1 1046820582 PIFZWKPTUQLZHU-MNOVXSKESA-N 320.349 -0.696 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)Cc2ccccc2C(N)=O)C1 1047482333 RUMZDQQKEVPQDI-GJZGRUSLSA-N 315.373 -0.535 30 20 DBED C=CCN1CC[C@@H](N2C[C@H](O)[C@@H](N(C)C(=O)[C@@H]3C[C@H]3C)C2)C1=O 1047485619 UTWDVQFYHCDYAK-ZSAUSMIDSA-N 321.421 -0.067 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCN(C(=O)CC)C2)C1 1047589011 YIDMHCHJXLWMPD-ILXRZTDVSA-N 321.421 -0.228 30 20 DBED C=C(C)CN1CCC2(CC1)CN(C(=O)CN1CCNC(=O)C1)C2 1050616933 HHSTYJIUBFRUMX-UHFFFAOYSA-N 320.437 -0.081 30 20 DBED CC(=O)NCC(=O)N[C@@H](C)[C@@H]1CCN(C(=O)C#CC2CC2)C1 1050665416 JKVFZMHHZMAEPW-SMDDNHRTSA-N 305.378 -0.111 30 20 DBED C[C@H](C#N)C(=O)N1CCN(c2nc(O)c3cnn(C)c3n2)CC1 1055741910 GIRFNBPWZTXUEN-SECBINFHSA-N 315.337 -0.123 30 20 DBED C[C@H](C#N)C(=O)N[C@@]1(CO)CCCN(C(=O)c2cocn2)C1 1056094132 QNHSFQSFXFDYCA-YGRLFVJLSA-N 306.322 -0.082 30 20 DBED N#Cc1nccc(N2C[C@H]3C(NC(=O)[C@@]45COC[C@@H]4C5)[C@@H]3C2)n1 1056451663 XBJPLSIOYWQNFC-GFOPWETNSA-N 311.345 -0.064 30 20 DBED CN(c1ccnc(C#N)n1)[C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1 1056873425 OOXDJUWQJYJAII-GHMZBOCLSA-N 314.349 -0.336 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)COC(C)(C)C 1057193257 CIHIUDIYACAGFH-UHFFFAOYSA-N 316.398 -0.059 30 20 DBED N#CCSCC(=O)NCCN(CCO)C(=O)c1cncnc1 1057406764 QVCPLRRGAZMBPF-UHFFFAOYSA-N 323.378 -0.716 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)[C@H]1CCN(C)C1 1057447113 PELJGDBKTZZQLP-AWEZNQCLSA-N 309.410 -0.321 30 20 DBED C#CCOCCC(=O)NCCN(CCO)C(=O)[C@H]1CC1(F)F 1057509435 UKSISRVVQKZNGZ-LLVKDONJSA-N 318.320 -0.381 30 20 DBED C#CCO[C@H](C)C(=O)N(CCO)CCNC(=O)c1cnccn1 1057583124 HQLCSRPWNMFVRC-GFCCVEGCSA-N 320.349 -0.934 30 20 DBED N#Cc1nccc(N2CCC[C@H](NC(=O)[C@@H]3COCCO3)C2)n1 1058120128 IDMPFNLRSJUNAC-RYUDHWBXSA-N 317.349 -0.151 30 20 DBED N#Cc1nccnc1N1CCC[C@H](NC(=O)Cn2cncn2)C1 1058160551 ZRYSFDRAEPANBI-NSHDSACASA-N 312.337 -0.275 30 20 DBED C=C[C@H](CC)CC(=O)N(CCO)CCNC(=O)c1cnn[nH]1 1058471944 DGEUTPUAUHELQU-LLVKDONJSA-N 309.370 -0.042 30 20 DBED N#Cc1nccnc1N1CC[C@H]2[C@@H](CCCN2C(=O)C(N)=O)C1 1059540751 YBBAEGXRNAJZIL-JQWIXIFHSA-N 314.349 -0.349 30 20 DBED N#Cc1cncc(N[C@H]2C[C@@H](NC(=O)[C@H]3CCNC(=O)C3)C2)n1 1059597262 VARBXSTZLNPUFK-GARJFASQSA-N 314.349 -0.066 30 20 DBED C=CCCC(=O)NC[C@H]1COCCN1C(=O)C[C@@H]1CCNC1=O 1061411316 ZJLFJESLFMZOMP-STQMWFEESA-N 323.393 -0.178 30 20 DBED C=CCCC(=O)N1CCOC[C@@H]1CNC(=O)CCn1ccnn1 1061532186 RTVPHZRGWZMEGY-ZDUSSCGKSA-N 321.381 -0.022 30 20 DBED CC(C)(O)CC(=O)NC[C@@H]1COCCN1C(=O)C#CC1CC1 1061545680 CFEOWOHRXMRZBH-CYBMUJFWSA-N 308.378 -0.096 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)Cc1cncn1C 1061847944 NZJRXPHQCDAYKA-DGCLKSJQSA-N 319.365 -0.534 30 20 DBED C=CCOCC(=O)NCC1(NC(=O)[C@@H]2CCNC2=O)CCC1 1062704612 RGGFXQSCXBDXKR-LLVKDONJSA-N 309.366 -0.520 30 20 DBED C=CCOCC(=O)NC1(CNC(=O)CCCC(N)=O)CCC1 1063513823 JZSNTKINHSOYIM-UHFFFAOYSA-N 311.382 0.000 30 20 DBED N#Cc1ccc(NC[C@@H]2CCCC[C@@H]2NC(=O)C(N)=O)nn1 1064189845 UPJHSRYQNGUNFH-ONGXEEELSA-N 302.338 -0.080 30 20 DBED Cc1ccc(C#N)c(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)Cn2ncnn2)n1 1064298135 SVPSOOBDVDCVSR-MBNYWOFBSA-N 324.348 -0.358 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2cc[nH]n2)CCO1 1064887635 MARZMMZHXWVIBH-LLVKDONJSA-N 308.338 -0.431 30 20 DBED C=CCCC(=O)N1CCO[C@@H](CNC(=O)Cn2cncn2)C1 1064961659 OFRZWJWYDFTOAR-LBPRGKRZSA-N 307.354 -0.412 30 20 DBED CN(C(=O)[C@H]1CCOC1)[C@H]1CN(c2nccnc2C#N)C[C@@H]1O 1065573500 ZBAATLZBJWCWMJ-DRZSPHRISA-N 317.349 -0.607 30 20 DBED C[C@H](N=c1cc[nH]c(C#N)n1)[C@H]1CCN(C(=O)CC(N)=O)C1 1065685216 WGFMEOCLJDAAIX-UWVGGRQHSA-N 302.338 -0.706 30 20 DBED C=C[C@@](C)(O)CC(=O)N(C)CCCN(C)C(=O)CNC(C)=O 1066661891 KFRCLINCQQCKHE-OAHLLOKOSA-N 313.398 -0.244 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCCN(C)C(=O)Cn1ncn(C)c1=O 1067719967 LXHGNWLBTDRYTG-NSHDSACASA-N 322.369 -0.952 30 20 DBED C[C@@H]1C[C@@H](CNc2cncc(C#N)n2)CN1C(=O)CC(N)=O 1068302720 JZTUEXOROQTPFK-ZJUUUORDSA-N 302.338 -0.127 30 20 DBED C=C(C)CN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H]2COCCO2)C1 1069898499 OKMGMWGYQDVWDT-RDBSUJKOSA-N 321.381 -0.389 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)c2cnn[nH]2)CCOCC1 1070164250 LQMJVBTWDLCRNJ-SECBINFHSA-N 306.326 -0.640 30 20 DBED Cc1conc1C(=O)N1C[C@H](n2ccnn2)[C@H](NCC#N)C1 1070306990 KZGQTQVLMSUKLO-MNOVXSKESA-N 301.310 -0.247 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CCCN(C(=O)[C@@H]2COC(=O)N2)C1 1070680074 CBLAUKJSCSRYCJ-NEPJUHHUSA-N 305.334 -0.385 30 20 DBED C#CCN1C[C@@H](F)C[C@@H]1c1n[nH]c(CNC(=O)c2nc[nH]n2)n1 1070734909 QDXAYMNBNXULDP-DTWKUNHWSA-N 318.316 -0.429 30 20 DBED Cn1ccc(C(=O)N2CCC(=O)NCCN(CC#N)CC2)c1 1070955105 KLRLLQJWVYALHE-UHFFFAOYSA-N 303.366 -0.187 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)[C@@]2(C)CCNC2=O)CC1 1071000108 ODUCXXZKDUSDHR-INIZCTEOSA-N 322.409 -0.651 30 20 DBED C=C(C)CN1CCNC(=O)CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1 1071000196 SHCRZSABEZUSGJ-OLZOCXBDSA-N 322.409 -0.666 30 20 DBED C[C@H]1CN(C(=O)CCn2cnnn2)C[C@]2(CCN(CC#N)C2)O1 1071223814 UXEXBSVUYQTQIT-GXTWGEPZSA-N 319.369 -0.721 30 20 DBED CC(=O)NCC(=O)N[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C 1071875604 WTPBWSZFNWTFEY-RNCFNFMXSA-N 317.349 -0.401 30 20 DBED C#CCCCC(=O)N1C[C@@H](NC(=O)CNC(=O)NC)[C@H](C)C1 1071996190 OXLNEFVLZYEIJS-VXGBXAGGSA-N 308.382 -0.318 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C 1072049154 RADCRBSJNBLXME-TZMCWYRMSA-N 315.373 -0.498 30 20 DBED C[C@H](C#N)C(=O)NC1(C)CCN(C(=O)[C@@H]2COCCN2C)CC1 1072958330 YQBSIRXDLHNEOC-OLZOCXBDSA-N 322.409 -0.026 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](NC(=O)C2CC2)[C@@H](C)C1 1073612117 IILPQMAGWVMQFE-WCQYABFASA-N 305.378 -0.111 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](NC(=O)CCOC)[C@H](C)C1 1073622411 QDOYWMXUSMGFJI-CHWSQXEVSA-N 323.393 -0.484 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)Cc3n[nH]c(C)n3)C[C@H]21 1074238543 PWUCCWKRVDQRFU-CHWSQXEVSA-N 303.366 -0.409 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)c1cccnn1 1076218740 DDMSADVLBJWIBH-NSHDSACASA-N 317.349 -0.759 30 20 DBED C=CCOCC(=O)N[C@@H](C)CCNC(=O)[C@H]1CCN(C)C1=O 1077909117 ACVWMELXUZEAQM-NWDGAFQWSA-N 311.382 -0.322 30 20 DBED Cn1nncc1CNC[C@H]1CN(C(=O)C#CC2CC2)CCCO1 1078398702 RLPZCOHUCVHRRG-HNNXBMFYSA-N 317.393 -0.064 30 20 DBED C=CCN[C@H]1C[C@@H](NC(=O)Cn2ncn(C)c2=O)C12CCC2 1078663513 ODQYGRWRTGSPGI-NWDGAFQWSA-N 305.382 -0.215 30 20 DBED C=CCCOCC(=O)N(CC)C1CN(C(=O)Cn2nccn2)C1 1079978446 OYWREKYEDNOUHK-UHFFFAOYSA-N 321.381 -0.070 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1cn([C@@H]2CCOC2)nn1 1080740347 IAGPMEDLRVRCTD-IJLUTSLNSA-N 304.354 -0.187 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](O)[C@H](CNC(=O)CSCC#N)C1 1081286403 KSVPAJVQIOIWIW-CHWSQXEVSA-N 323.418 -0.162 30 20 DBED C=CCCOCC(=O)N1C[C@H](CNC(=O)c2cn[nH]c2)[C@@H](O)C1 1081295767 VADODRWDDKLDAK-STQMWFEESA-N 322.365 -0.449 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cnn(C)c2N)C1 1081425077 NFTLOYNISKRVTI-CMPLNLGQSA-N 321.381 -0.482 30 20 DBED C=CCN1C[C@@H](NC(=O)[C@@H]2Cc3cncn3C(=O)N2)[C@H](OC)C1 1081974864 GEVGLBZTHLDTKY-YNEHKIRRSA-N 319.365 -0.633 30 20 DBED CO[C@@H]1CN(Cc2cccc(C#N)c2)C[C@H]1NC(=O)C(N)=O 1082086602 HAAOJJQGMCTELG-CHWSQXEVSA-N 302.334 -0.641 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)c2nc(C)c(C)[nH]c2=O)C1 1083559525 PJZOMVADYAKTHS-NEPJUHHUSA-N 306.366 -0.262 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1083663295 IVQIRBAJXSWPTD-SBJFKYEJSA-N 308.378 -0.778 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)C2CCN(C(N)=O)CC2)C1 1084041087 MDHWZWXBMNLRCV-OLZOCXBDSA-N 310.398 -0.486 30 20 DBED C=CCN1CC[C@H]1CN(C)C(=O)c1cn(C)c(=O)n(C)c1=O 1085850683 DGVFWCSJRLZOHF-NSHDSACASA-N 306.366 -0.584 30 20 DBED COc1cc(CC(=O)N[C@H]2CCN(CC#N)C[C@@H]2O)ccn1 1090571255 BHBWZXBRFRTQHH-STQMWFEESA-N 304.350 -0.292 30 20 DBED C[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1NC(=O)CNC(N)=O 1090649808 PUFULXQBVSXGCG-MWLCHTKSSA-N 302.338 -0.438 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2cn(CC3CC3)nn2)[C@H](O)C1 1090684180 VVGBWYBQZIBXDI-TZMCWYRMSA-N 303.366 -0.514 30 20 DBED C#CCOc1ncccc1C(=O)N[C@H]1CCN(CC#N)C[C@H]1O 1090735968 GCUPCTJZEZOVKZ-UONOGXRCSA-N 314.345 -0.218 30 20 DBED Cc1csc(=O)n1CC(=O)N[C@H]1CCN(CC#N)C[C@H]1O 1090793642 GSDYWZAOBLTQGM-WDEREUQCSA-N 310.379 -0.707 30 20 DBED C[C@H](NC(N)=O)C(=O)NC[C@H]1C[C@@H](Nc2ccc(C#N)nn2)C1 1091340256 ZGFYCYCLEXINEE-ATZCPNFKSA-N 317.353 -0.288 30 20 DBED CC[C@@H]1[C@@H](NC(=O)CNC(C)=O)CCN1c1cnc(C#N)cn1 1091752441 KBHTZYXFKZPLJT-QWHCGFSZSA-N 316.365 -0.042 30 20 DBED C#CCN1C[C@@H]2CN(C(=O)CCN3C(=O)CCC3=O)C[C@]2(C)C1 1091831518 RUFJEWBAMPRFNW-DYVFJYSZSA-N 317.389 -0.061 30 20 DBED C#CCN1C[C@@H](C)[C@H](CNC(=O)c2cnc(O)n(C)c2=O)C1 1092878759 ADNFTHCRHHVTCJ-GHMZBOCLSA-N 304.350 -0.583 30 20 DBED CN(C)CCC(=O)NC1[C@H]2CN(c3cnc(C#N)cn3)C[C@H]12 1093340774 BMDGARRAXMNXQW-RYUDHWBXSA-N 300.366 -0.149 30 20 DBED N#Cc1nccnc1NCCNC(=O)c1cnn2c(=O)cc[nH]c12 1094160343 KNLXYVFNPGBNIR-UHFFFAOYSA-N 324.304 -0.474 30 20 DBED CCc1nc(C#N)cc(NCCCNC(=O)Cn2cnnn2)n1 1094314997 QTKVWNCSVOQCRG-UHFFFAOYSA-N 315.341 -0.484 30 20 DBED C#CCN1CC(n2cc(CNC(=O)c3ccn(CC)n3)nn2)C1 1094325385 LZVLWXIWNNHDOK-UHFFFAOYSA-N 313.365 -0.086 30 20 DBED N#CCN1CC(N2C[C@@H](NC(=O)c3ccccc3O)CC2=O)C1 1094703627 CXYWHKSAGYEUHL-NSHDSACASA-N 314.345 -0.069 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)Cc3cc[nH]n3)CC2=O)C1 1094716879 DGURZFWKFULZSX-LBPRGKRZSA-N 303.366 -0.461 30 20 DBED CN1C(=O)CC[C@H]1C(=O)NCCCNc1ccc(C#N)nn1 1094722284 HVWGUGIBGMPJQI-NSHDSACASA-N 302.338 -0.113 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)[C@H]3CCCOCC3)CC2=O)C1 1094734013 PVHQSGHWQLZTAJ-UONOGXRCSA-N 319.405 -0.162 30 20 DBED COC(=O)NCC(=O)N1CC[C@@H](Nc2nccnc2C#N)C1 1095020609 YBQPPJJECFGRDO-SECBINFHSA-N 304.310 -0.283 30 20 DBED CN(C)C(=O)CC(=O)N1CC[C@@H](Nc2nccnc2C#N)C1 1095084385 SQGPSEYQDGJCAO-SNVBAGLBSA-N 302.338 -0.161 30 20 DBED CN(C)C(=O)CC(=O)N1CC[C@@H](N(C)c2ccnc(C#N)n2)C1 1095156620 MCNGYUMEDYLOPU-LLVKDONJSA-N 316.365 -0.136 30 20 DBED Cc1cc(C#N)nc(N(C)CCCNC(=O)[C@H]2CCC(=O)N2)n1 1095494212 ZGDFMUKTCNFWPB-GFCCVEGCSA-N 316.365 -0.122 30 20 DBED Cc1cc(C#N)nc(N(C)CCCNC(=O)[C@@H]2COC(=O)N2)n1 1095547086 OMAZKFXRASHEHK-NSHDSACASA-N 318.337 -0.292 30 20 DBED C[C@@H](CC(N)=O)C(=O)N[C@H]1CCN(c2ccc(C#N)nn2)C1 1096458260 QQPVXGJXAFLGHP-ONGXEEELSA-N 302.338 -0.445 30 20 DBED N#Cc1nc(=N[C@H](CNC(=O)[C@H]2C[C@H]2C(N)=O)C2CC2)cc[nH]1 1096808988 JIQDWHZTPTWDTK-OUAUKWLOSA-N 314.349 -0.802 30 20 DBED Cc1cc(C#N)nc(N[C@@H](C)CNC(=O)C2(C(N)=O)CC2)n1 1098226067 UTQVWJMTLGEJGV-VIFPVBQESA-N 302.338 -0.161 30 20 DBED C=CCNCc1cn([C@@H]2CCN(C(=O)[C@@H](C)NC(C)=O)C2)nn1 1098608248 QYIUEXCFIOQOKZ-BXUZGUMPSA-N 320.397 -0.148 30 20 DBED C[C@@H](CCNC(=O)[C@@H]1CN(C)C(=O)N1)Nc1nccnc1C#N 1099617590 VZRWSHLGUDCADF-ONGXEEELSA-N 317.353 -0.321 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCN(CC2CCCC2)C[C@@H]1O 1099789513 NSCGHUWBSYAOFE-CABCVRRESA-N 321.421 -0.133 30 20 DBED C=CCCOCC(=O)N[C@@H]1CCN(Cc2ncnn2C)C[C@@H]1O 1100139286 OPALQFDHEZMTHN-OLZOCXBDSA-N 323.397 -0.541 30 20 DBED CCN(CCNC(=O)Cn1cnnn1)c1ccc(C#N)nc1 1100439861 YBGDZVRSILWZFW-UHFFFAOYSA-N 300.326 -0.418 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CN(CC(=O)NC(N)=O)C[C@@]2(C)C1 1101174172 HXWFENFGWJJQCE-RULNRJAQSA-N 307.354 -0.879 30 20 DBED C[C@H](CS(C)(=O)=O)C(=O)N(C)CCN=c1cc[nH]cc1C#N 1101654677 LQKFQCSJTJDZRZ-LLVKDONJSA-N 324.406 -0.074 30 20 DBED Cc1cc(C#N)nc(NCCN(C)C(=O)C[C@H](C)NC(N)=O)n1 1101785797 KRFMUCKEAAFAAJ-JTQLQIEISA-N 319.369 -0.026 30 20 DBED C[C@H](C(=O)N(C)CCN=c1cc[nH]c(C#N)n1)[C@@H]1CCC(=O)N1 1101966066 VQYRORZVALZWOP-QWRGUYRKSA-N 316.365 -0.445 30 20 DBED CC#CCN1C[C@@H](C)[C@H](CNC(=O)[C@@H](C)NS(C)(=O)=O)C1 1102404553 AZXGCTHPOLOJTA-JHJVBQTASA-N 315.439 -0.369 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H](CC)Nc1nccnc1C#N 1103039192 CXDRBJKNDLBCKQ-NSHDSACASA-N 314.349 -0.206 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCC[C@@H]1CN(CC(N)=O)C[C@H]1C 1103099145 BVMJPSWOWVRMBP-KFWWJZLASA-N 320.437 -0.357 30 20 DBED C[C@@H](CNC(=O)CSCC#N)CNc1ccc2nnnn2n1 1103881496 LHAZFENNXXRTQW-SECBINFHSA-N 320.382 -0.060 30 20 DBED CCNC(=O)CCC(=O)NC[C@H](C)CN=c1cc[nH]c(C#N)n1 1103900091 JNPZUHJAKMMTQS-LLVKDONJSA-N 318.381 -0.149 30 20 DBED C#CCCNCc1cn(C2CN(C(=O)c3cnn(C)c3)C2)nn1 1105153088 MJIKYWYQZOUDDC-UHFFFAOYSA-N 313.365 -0.178 30 20 DBED C=CCNCc1cn(C2CN(C(=O)[C@H]3C[C@@H]3C(=O)OC)C2)nn1 1105188188 RAOSLJQYJQDWJV-STQMWFEESA-N 319.365 -0.254 30 20 DBED C#CCNCc1cn(C2CN(C(=O)[C@@H](C)OCC#C)C2)nn1 1105240211 CWIFVVMDZVPHSN-GFCCVEGCSA-N 301.350 -0.578 30 20 DBED CC(=O)CCCC(=O)NC[C@H](O)CNc1cncc(C#N)n1 1105718147 AEMNUNOTTVZXEP-GFCCVEGCSA-N 305.338 -0.003 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)CCn2ccnn2)nc1 1105796864 UCCVJVXXJTVZFQ-GFCCVEGCSA-N 315.337 -0.476 30 20 DBED Cc1cc(CC(=O)NC[C@H](O)CNc2cnc(C#N)cn2)n[nH]1 1105817104 WBRPNAZHTGORLX-GFCCVEGCSA-N 315.337 -0.489 30 20 DBED Cc1cc(=NC[C@@H](O)CNC(=O)[C@]2(F)CCOC2)c(C#N)c[nH]1 1106073733 YGXHGJKZXOALMK-DOMZBBRYSA-N 322.340 -0.299 30 20 DBED CO[C@@H](C(=O)NC[C@@H](O)CNc1nccnc1C#N)C(C)C 1106092948 QTACBCXFUHKSAC-CMPLNLGQSA-N 307.354 -0.092 30 20 DBED C#Cc1cncc(C(=O)NC[C@H](O)CNc2ccc(C#N)nn2)c1 1106100472 PVMZTJBARSOUBB-CQSZACIVSA-N 322.328 -0.073 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)[C@@]23COC[C@@H]2C3)nc1 1106146259 ZPBHEBYJNAGATF-HUBLWGQQSA-N 302.334 -0.121 30 20 DBED C=CCCC(=O)NCc1cn(C2CN(CCOCCO)C2)nn1 1107142616 MEWHBZOQXJSXNY-UHFFFAOYSA-N 323.397 -0.274 30 20 DBED C=CCO[C@@H](C)C(=O)NCc1cn(C2CN(C[C@H](C)O)C2)nn1 1107240735 GZNMAONYKLHMAJ-RYUDHWBXSA-N 323.397 -0.277 30 20 DBED N#Cc1nc(=NC/C=C\CNC(=O)C[C@H]2CCC(=O)N2)cc[nH]1 1107246492 JRJGAMKELZIZLC-RFMOXSJOSA-N 314.349 -0.477 30 20 DBED C[C@@H](CC(=O)NC/C=C\CNc1cnc(C#N)cn1)NC(N)=O 1107351383 RIVQDVMXDKBPQC-ZMWSMAPVSA-N 317.353 -0.121 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)c2cccc(=O)n2C)C1 1108205080 FMTNXMJNVBHXLE-INIZCTEOSA-N 303.362 -0.161 30 20 DBED C[C@@H]1CCN(C(=O)C(=O)NC[C@@]2(C)CN(CC#N)CCO2)C1 1108332251 YQPZQMYWCIOZQJ-DOMZBBRYSA-N 308.382 -0.415 30 20 DBED CC(=O)N1CC[C@H](C(=O)NC[C@]2(C)CN(CC#N)CCO2)C1 1108369107 JZGPONIYMKQVMX-DZGCQCFKSA-N 308.382 -0.415 30 20 DBED C=CCCN1CCO[C@@](C)(CNC(=O)C[C@@H]2CC(=O)NC2=O)C1 1108446627 FBWGPMICAWKPHJ-WBMJQRKESA-N 323.393 -0.178 30 20 DBED C#CCCN1CC(N2C[C@@H](NC(=O)[C@@H](CC)N(C)C)CC2=O)C1 1108553876 XVHJOHCXQXEGMH-DZGCQCFKSA-N 320.437 -0.249 30 20 DBED C=C(C)C[C@@H](C)C(=O)N[C@H]1CC(=O)N(C2CN(CC(N)=O)C2)C1 1108567161 XFDYBFBTHXTPGU-NEPJUHHUSA-N 322.409 -0.525 30 20 DBED C=C[C@@](C)(CC)C(=O)N[C@@H]1CC(=O)N(C2CN(CCO)C2)C1 1108569054 BGCAHFXYAFPCRT-WBMJQRKESA-N 309.410 -0.018 30 20 DBED C[C@H](CN(C)c1cnc(C#N)cn1)NC(=O)[C@H]1CCCNC1=O 1109128946 WXJQABHDXRMYQD-PWSUYJOCSA-N 316.365 -0.185 30 20 DBED C[C@@H](CN(C)c1cncc(C#N)n1)NC(=O)c1c[nH]c(=O)cn1 1109231526 QQGGSCLCZJSVNF-VIFPVBQESA-N 313.321 -0.314 30 20 DBED N#Cc1nccc(NC2(CNC(=O)C[C@@H]3CCNC3=O)CC2)n1 1110250637 PNLHLKMBPSBSEI-JTQLQIEISA-N 314.349 -0.065 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H](OC)C1CC1 1110518580 RSDZSJQHYNOSQO-NYTXWWLZSA-N 319.405 -0.118 30 20 DBED C[C@H](NC(N)=O)C(=O)N[C@@]1(C)CCN(c2ccnc(C#N)n2)C1 1110745073 BFSNCASYEALXHK-XPTSAGLGSA-N 317.353 -0.510 30 20 DBED CNC(=O)CC(=O)NCC1(Nc2ccc(C#N)nn2)CCC1 1111786363 NLUYLUHRCRCGPN-UHFFFAOYSA-N 302.338 -0.065 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)Cc2ccc(F)cn2)CC1 1113024422 NUKHZYNHSVCJIP-UHFFFAOYSA-N 319.340 -0.453 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@@H](C)CSC)[C@H]2C1 1114054058 KRQYBNVNHNRNGA-CIQGVGRVSA-N 309.435 -0.219 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)c3cnn(C)c3N)[C@@H]2C1 1114158006 OIEDYUVUSVBYFU-VXGBXAGGSA-N 303.366 -0.688 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H]1[C@@H]2CN(Cc3cnn(CC)n3)C[C@@H]21 1114270139 ALELSABZNNULFD-SPWCGHHHSA-N 317.393 -0.117 30 20 DBED C=CCOCCN1C[C@H]2[C@H](NC(=O)C[C@@H]3CCNC3=O)[C@H]2C1 1114398419 DSVQZMGPZVCMRH-RMRHIDDWSA-N 307.394 -0.238 30 20 DBED Cc1ccc(C#N)c(N2C[C@H]3[C@H](CNC(=O)CC(N)=O)[C@H]3C2)n1 1114547026 OLATYFCBOOQFCH-XYYAHUGASA-N 313.361 -0.065 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@H](OC)C(C)C)[C@H]2C1 1114782005 ZYTWSAPZIPTYQH-PAPYEOQZSA-N 307.394 -0.547 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)c3n[nH]cc3F)[C@H]2C1 1114787826 YIEVTGXWFPHPPG-GUBZILKMSA-N 321.356 -0.101 30 20 DBED CC(=O)NCC(=O)NCCOCCN(C)c1nccnc1C#N 1115160793 GRTCRWPYSHAKGR-UHFFFAOYSA-N 320.353 -0.947 30 20 DBED N#CCN1C[C@@H]2C(NC(=O)CNC(=O)Cc3ccccc3)[C@H]2C1 1115206757 CHDXOEUWAFHKFI-KBPBESRZSA-N 312.373 -0.085 30 20 DBED C=CCN1C[C@H]2C(NC(=O)CS(=O)(=O)NC(C)(C)C)[C@@H]2C1 1115254433 NPHICZVDAOUIGJ-GHMZBOCLSA-N 315.439 -0.063 30 20 DBED C#CCNC(=S)N(CCN(C)C)[C@H]1CCS(=O)(=O)C1 1116388328 HCGOLEQEJRFQJO-NSHDSACASA-N 303.453 -0.455 30 20 DBED N#CCNC(=O)CNC(=O)Cn1cc(C(F)(F)F)ccc1=O 1117274063 OECUTQAWPABZHM-UHFFFAOYSA-N 316.239 -0.377 30 20 DBED N#C[C@H]1CC[C@@H](NC(=O)C(=O)NCC2(C(=O)O)CCOCC2)C1 1118179527 XEDUWMHMRLMWJR-WDEREUQCSA-N 323.349 -0.208 30 20 DBED C=CCN(C(=O)C(=O)NCCCn1cncn1)[C@@H](C)COC 1119141583 IFVDYFWVKHYAAH-LBPRGKRZSA-N 309.370 -0.166 30 20 DBED CC(C)N1C[C@@H](NC(=O)C(=O)N2CCC[C@@H](C#N)C2)CC1=O 1119687181 RGDMKNOIIKLCCD-RYUDHWBXSA-N 306.366 -0.126 30 20 DBED C=C(Br)CNC(=O)C(=O)NCc1n[nH]c(C)n1 1119875702 RRHCXZKQHBGWBV-UHFFFAOYSA-N 302.132 -0.246 30 20 DBED C[C@@H](CN(C)C(=O)c1cncnc1O)N=c1cc[nH]c(C#N)n1 1120253734 XKTAGTGPDJDQKB-VIFPVBQESA-N 313.321 -0.162 30 20 DBED Cn1cncc1CC(=O)NC[C@H](CO)Nc1ccc(C#N)nc1 1121801615 VOYUBUJDROKXRH-CYBMUJFWSA-N 314.349 -0.182 30 20 DBED Cc1cc(C#N)nc(N[C@H](CO)CNC(=O)c2nc(C)c[nH]2)n1 1122688369 QSCTVURXLNFJLV-NSHDSACASA-N 315.337 -0.109 30 20 DBED CN(C[C@H](O)CN(C)c1ccncc1C#N)C(=O)c1cnn[nH]1 1125373937 LQXCNJDUNCMYNN-LLVKDONJSA-N 315.337 -0.359 30 20 DBED N#Cc1c[nH]c(C(=O)NCCNCC(=O)NC[C@H]2CCCO2)c1 1125390921 JNDCIPLLUDTZME-GFCCVEGCSA-N 319.365 -0.499 30 20 DBED C#CCCCC(=O)NCCNC[C@@H](O)CO[C@H](C)COC 1126339262 ULOGDMYINFQCML-ZIAGYGMSSA-N 300.399 -0.092 30 20 DBED CC(C)C#CC(=O)NCCNCC(=O)NCC(=O)N1CCCC1 1126834133 KFPMOKDHSKPUEO-UHFFFAOYSA-N 322.409 -0.910 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cn2cc(C)nc2s1 1129406280 NNVCXGPGMQPELK-UHFFFAOYSA-N 319.390 -0.227 30 20 DBED COCC#CCN1C[C@@H](NC(=O)Cn2cnnn2)CC[C@@H]1C 1131784828 ZDLGTRMTVFJTLJ-STQMWFEESA-N 306.370 -0.708 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@H](C1CC1)N1CCCC1 1131790236 JHMRZGUFPIWOGI-HIFRSBDPSA-N 320.437 -0.296 30 20 DBED CCCCN1CCOC[C@@H]1C(=O)NCCNCC#CCOC 1131822526 QSEPBNBOQLFNLJ-OAHLLOKOSA-N 311.426 -0.157 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)c1nnn(C)c1C 1133994735 WJKPQEBTOZOVEM-MNOVXSKESA-N 320.397 -0.641 30 20 DBED C[C@@H](NS(C)(=O)=O)C(=O)NCCNCc1ccccc1C#N 1134352756 NQUOMKYULWKAJR-LLVKDONJSA-N 324.406 -0.298 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1cnc(C2CC2)nc1O 1134890541 RCWKWAUFYRXZOX-UHFFFAOYSA-N 319.365 -0.319 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)COc2cccnc2)C1=O 1135344419 RBLAAADTELKRDQ-AWEZNQCLSA-N 318.377 -0.047 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)CC(=O)N(C)C 1135636386 TZTWQTSPROAXTL-NWDGAFQWSA-N 310.398 -0.913 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)C(=O)N1CCC[C@H]1CC 1147028035 NTUJHEMKWFDNAV-CHWSQXEVSA-N 324.425 -0.216 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CN(Cc2ncnn2C)CCCO1 1149409813 VOGJDKZWLFMICB-NEPJUHHUSA-N 306.370 -0.318 30 20 DBED C#CCNC(=O)CN1CCCO[C@H](CNC(=O)C2CC(C)C2)C1 1149496713 KIUXEXWXRHPQCR-YMAMQOFZSA-N 321.421 -0.011 30 20 DBED C=CCOCCN1CCCO[C@@H](CNC(=O)c2ncn(C)n2)C1 1149660944 VMEMSAGECCMGOW-ZDUSSCGKSA-N 323.397 -0.162 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)CCCn2ccnn2)C1 1149835840 RVJFIAWXAQTDQP-CQSZACIVSA-N 305.382 -0.101 30 20 DBED C[C@@H](NCCNC(=O)CC#Cc1ccccc1)C(=O)NC(N)=O 1151958224 DETWWEZWLUGDTC-GFCCVEGCSA-N 316.361 -0.283 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)Cc1n[nH]c(C)n1 1157745156 GLBMVFYXDLZDKG-JTQLQIEISA-N 308.386 -0.558 30 20 DBED C#CCOCCC(=O)NCCCNCC(=O)NCC(F)(F)F 1157853141 UMVHHIIGKSMPRR-UHFFFAOYSA-N 323.315 -0.199 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@@H]1CCCN1CCC 1159328640 VABCAKZDYHDTMX-AWEZNQCLSA-N 308.426 -0.294 30 20 DBED C=CCOCCN1CCO[C@H]2CCN(C(=O)c3nc[nH]n3)C[C@@H]21 1177118555 KBFJOFQLBWTWGA-STQMWFEESA-N 321.381 -0.077 30 20 DBED C[C@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)c1ccns1 1178798855 PTDJRUGOIQQZLS-UWVGGRQHSA-N 307.379 -0.025 30 20 DBED COCC#CCN[C@H]1CCN(C(=O)C(=O)NCC(F)F)[C@H]1C 1179036928 KMJVNFKTALRFNI-QWRGUYRKSA-N 317.336 -0.404 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)CC[C@H]2CCOC2)C1 1181936147 PYILBQUJZZSEQY-UONOGXRCSA-N 307.394 -0.257 30 20 DBED CCS(=O)(=O)NCC(=O)N1CC[C@@H](CNCC#N)[C@@H](C)C1 1184525909 ZUUYZCRMQQNNQC-RYUDHWBXSA-N 316.427 -0.477 30 20 DBED CN(CC#N)[C@H]1CCN(C(=O)CNC(=O)c2ccncc2)C1 1190306532 BYWSTAHWOZPSPD-ZDUSSCGKSA-N 301.350 -0.132 30 20 DBED COCCS(=O)(=O)CC(=O)N1CC[C@H](N(C)CC#N)C1 1190974321 YCONXCUQAXHTPC-NSHDSACASA-N 303.384 -0.896 30 20 DBED C=CCOCC(=O)N[C@@H]1CN([C@@H](C)c2n[nH]c(CC)n2)C[C@H]1O 1191777803 PMUCCPWKJRSGPH-QJPTWQEYSA-N 323.397 -0.208 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)C[C@](C)(O)C2CC2)C1 1192306719 OUUDMNZDSNJCIO-FMKPAKJESA-N 310.394 -0.651 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC=CCC2)C1 1195295029 QRCMNEMFAGHZSM-RBSFLKMASA-N 319.405 -0.357 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC(C)(C)C2)C1 1196004689 PJFCJWKMTUPUDR-BFHYXJOUSA-N 321.421 -0.277 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)CO[C@H](C)c2nccn2C)C1 1198232819 CGXNYOOHSZJCOP-JHJVBQTASA-N 308.382 -0.155 30 20 DBED CC1(C)C[C@H]1C(=O)N1CCCO[C@@H](CNCC(=O)NCC#N)C1 1200283299 QQYHMPRXURBULL-STQMWFEESA-N 322.409 -0.121 30 20 DBED C#CCNC(=O)[C@H](C)NC1CCN(C(=O)[C@H](C)CC(N)=O)CC1 1201984318 FWLFMURDVWLVLI-NEPJUHHUSA-N 322.409 -0.784 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)[C@H]2OCC[C@H]2C)CC1 1202545839 GMRJAKJNBSIVRC-DOMZBBRYSA-N 307.394 -0.259 30 20 DBED C=CCOCCN[C@H]1C[C@@H](NC(=O)Cn2ncnn2)C12CCC2 1202920518 MGEUGNPKVAEACG-QWHCGFSZSA-N 320.397 -0.107 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)[C@H]2CO[C@H](C)C2)CC1 1205552635 JMGDPLBULMQRMK-UKRRQHHQSA-N 321.421 -0.011 30 20 DBED C=CCOCCN1C[C@@H](NC(=O)CCNC(=O)NC)[C@H](C)C1 1206935021 LFIBNXSTCGGSLM-CHWSQXEVSA-N 312.414 -0.055 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)c2ncoc2C)C1 1207556150 JTXHALLYPYGDBX-GFCCVEGCSA-N 304.350 -0.073 30 20 DBED C#CCCN1C[C@@H](NC(=O)CCCn2c(O)nnc2O)[C@H](C)C1 1207771427 TZZHMAUABBIIHZ-VXGBXAGGSA-N 321.381 -0.071 30 20 DBED C[C@H]1CCCN1CC(=O)N1CCC[C@H](NCC(=O)NCC#N)C1 1209633788 XYNDFWWKVNBVBZ-KBPBESRZSA-N 321.425 -0.309 30 20 DBED C#CCCN[C@@H]1CCCN(C(=O)CCn2cc[nH]c(=O)c2=O)C1 1210154606 MSDGDDJWXWNNJV-CYBMUJFWSA-N 318.377 -0.469 30 20 DBED COCC#CCN[C@@H]1CCCN(C(=O)c2cn(C)c(=O)n2C)C1 1211301261 HXWNMSUNDLJCHX-CYBMUJFWSA-N 320.393 -0.432 30 20 DBED CC#CCN1C[C@@H](NC(=O)[C@@H](C)CS(C)(=O)=O)[C@H](OC)C1 1213934065 JWPGKTFUVKQRJZ-YNEHKIRRSA-N 316.423 -0.494 30 20 DBED CCn1nncc1C(=O)N1C[C@@H](NCC#CCOC)[C@H](C)C1 1214562032 JNMMKQSIKLGLPZ-CHWSQXEVSA-N 305.382 -0.002 30 20 DBED C=CCCO[C@H](C)C(=O)N[C@@H]1CN(Cc2cnon2)C[C@@H]1O 1219324468 QPOQODHFJBQBJS-RTXFEEFZSA-N 310.354 -0.288 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)C#CC(C)(C)C)C1 1219590149 YLGTZBVFMFBNDK-MCIONIFRSA-N 321.421 -0.112 30 20 DBED Cc1nnsc1CN1C[C@H](O)[C@H](NC(=O)C#CC2CC2)C1 1219591651 OTWKGWILHKFCJR-NEPJUHHUSA-N 306.391 -0.079 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)CCc2ccc(OC)nc2)C1 1219991281 QCPMILYMLYYITN-KGLIPLIRSA-N 303.362 -0.183 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C(C)(C)C(F)F)C1 1220320715 IAHDLYBCCANJLL-ZJUUUORDSA-N 319.352 -0.259 30 20 DBED C=CCOCCN[C@H]1CCCN(C(=O)C[C@H]2CC(=O)NC2=O)C1 1222157295 LMJDSCUBNMWXBQ-OLZOCXBDSA-N 323.393 -0.178 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CCN(C(=O)[C@@H](C)C#N)C[C@@H]21 1222442133 DTHRYUQORXRNQH-MJBXVCDLSA-N 302.378 -0.182 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCN1C 1225346050 HYDGEIOMYKSWIB-KFWWJZLASA-N 320.437 -0.153 30 20 DBED C[C@H](C(=O)NC1CCN(CC(=O)NCC#N)CC1)n1cccn1 1226127648 HGYYKMWKTWPILQ-GFCCVEGCSA-N 318.381 -0.336 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)[C@@H]2CCOC[C@@H]2C)CC1 1229058253 ICBUJHGGLHWPTC-DZGCQCFKSA-N 321.421 -0.011 30 20 DBED N#CCN1CCS(=O)(=O)[C@H](CCNC(=O)c2cn[nH]c2)C1 1230425766 SFQBGPYHOKIDFS-LLVKDONJSA-N 311.367 -0.848 30 20 DBED C=CCN1CCS(=O)(=O)[C@@H](CCNC(=O)c2nc[nH]n2)C1 1230507930 MOEZSQZDFKPLTM-JTQLQIEISA-N 313.383 -0.790 30 20 DBED CS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(F)c(C#N)c1 1251997113 XEWWMJYSZCKPCY-UHFFFAOYSA-N 313.310 -0.203 30 20 DBED C=CCn1cc(C(=O)N2C[C@@H](OCCOC)C[C@@H](CO)C2)nn1 1261500862 ISMUSJYOIPPMQQ-OLZOCXBDSA-N 324.381 -0.050 30 20 DBED C#CCC[C@@H](O)CNS(=O)(=O)C[C@H]1CCCS(=O)(=O)C1 1261580092 IWONKABGQDBKBZ-NWDGAFQWSA-N 323.436 -0.495 30 20 DBED C#CCN(CC1CC1)C(=O)c1cn(C[C@H]2CNC(=O)O2)nn1 1262018128 XKDIIQWLXGJDGH-LLVKDONJSA-N 303.322 -0.128 30 20 DBED C#CCOCCn1nnnc1N1CCC[C@@H](C2OCCO2)C1 1262445360 UVSYOPBPAHTXOQ-GFCCVEGCSA-N 307.354 -0.088 30 20 DBED Cc1cnc(C(=O)NCC[C@H](C)NCC(=O)NCC#N)cn1 1317391184 OWUOUYSPSDUVDO-JTQLQIEISA-N 304.354 -0.477 30 20 DBED CC(C)N(CC(N)=O)C(=O)CCN/C(O)=C1/N=CC=CC1=O 1318851017 OUJVKFQFNFHQEZ-YPKPFQOOSA-N 308.338 -0.375 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N[C@@H](C)CS(C)(=O)=O 1320867705 BEMFIPGAICMGPN-VIFPVBQESA-N 312.413 -0.681 30 20 DBED C[S@@](=O)c1ccc(CNC(=O)NCC(=O)NCC#N)cc1 1323853678 JLDFASZTELDQIY-OAQYLSRUSA-N 308.363 -0.137 30 20 DBED Cn1ncc2cc(S(=O)(=O)N3CCN(CC#N)CC3)cnc21 1324177785 CGUDHEHGCCIIQI-UHFFFAOYSA-N 320.378 -0.202 30 20 DBED C#CCn1cc(CNC(=O)CN(C)[C@H]2CCS(=O)(=O)C2)cn1 1326328361 GMFWGJIOGJIESH-ZDUSSCGKSA-N 324.406 -0.749 30 20 DBED C[C@H](COCC1CC1)NC(=O)C(=O)N1CC[C@](O)(CC#N)C1 1327036708 BAKNPTMMJKMYEW-IAQYHMDHSA-N 309.366 -0.205 30 20 DBED CC#CCCNC(=O)C(=O)N[C@@H]1CCN(C2CCOCC2)C1=O 1330004391 WZSHLTNFZAYRMT-CYBMUJFWSA-N 321.377 -0.588 30 20 DBED C=C(C)CN(C)C(=O)C(=O)N[C@H]1CCN(S(C)(=O)=O)C1 1331309072 JAFKXHLJPKCBJL-JTQLQIEISA-N 303.384 -0.829 30 20 DBED CC#CC[C@H](CO)NC(=O)C1(S(C)(=O)=O)CCOCC1 1332492603 DWZAXYYUBPEIKN-LLVKDONJSA-N 303.380 -0.529 30 20 DBED C#CCOCCNC(=O)C(=O)N1CC(=O)N[C@H]2CCCC[C@@H]21 1342446178 QYFUEKKVIMETKY-RYUDHWBXSA-N 307.350 -0.978 30 20 DBED COCCNC(=O)[C@H](C#N)C(=O)CSc1nnnn1C1CC1 1342523962 YTQZHKWBJOZMKD-SECBINFHSA-N 324.366 -0.428 30 20 DBED C#CCNCC(=O)N1CCN(C(=O)c2ccccc2O)CC1 1343163052 IFFSZLGYLTWXMX-UHFFFAOYSA-N 301.346 -0.101 30 20 DBED N#CCCCCNC(=O)C(=O)N1CC[C@@H]2COC(=O)N[C@H]2C1 1349208024 BGKJRXDAVVVXNK-MNOVXSKESA-N 308.338 -0.247 30 20 DBED NCC(F)(F)CNC(=O)CCN/C(O)=C1/N=CC=CC1=O 1349487672 RXIFGVJYHKPNJE-KHPPLWFESA-N 302.281 -0.387 30 20 DBED Cn1cc(S(N)(=O)=O)cc1C(=O)N1CC[C@](O)(CC#N)C1 1362596948 VIGBEWHPEZFCIK-GFCCVEGCSA-N 312.351 -0.837 30 20 DBED CC(C)C1(O)CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 1364063186 DIWGUJSOPDFGPX-LBPRGKRZSA-N 317.411 -0.062 30 20 DBED CCO[C@H]1CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)C1 1364393645 OZJQGBLRECVLDH-NSHDSACASA-N 306.322 -0.152 30 20 DBED N#Cc1cc(F)ccc1NC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1O 1365162281 RUVPGRINAYCWTD-GHMZBOCLSA-N 313.310 -0.023 30 20 DBED N#C[C@@H]1CN(C(=O)NCC2CCS(=O)(=O)CC2)CCO1 1365365649 ZZRCUSCMXCDNGV-LLVKDONJSA-N 301.368 -0.255 30 20 DBED CCN(CCC#N)C(=O)CN1CC(CNC(=O)[C@H]2CCCO2)C1 1377958402 YJVNGIGCUWRVEH-CQSZACIVSA-N 322.409 -0.024 30 20 DBED C[C@H](C#N)C(=O)N(C)CCN(C)C(=O)CCCS(N)(=O)=O 1399722979 IUCIOQUXZCUGDP-SNVBAGLBSA-N 318.399 -0.868 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)C(C)(C)S(C)(=O)=O)CC1 1400677828 KULBNXJRRGUDRK-VIFPVBQESA-N 315.395 -0.266 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1nccn2ccnc12 1410149329 MCGGWKTWZYJCGG-UWVGGRQHSA-N 316.321 -0.904 30 20 DBED COCC(=O)N(C)CC(=O)N(C)C[C@H](C)NC(=O)[C@H](C)C#N 1412555703 FSKBYRVQTYORQD-MNOVXSKESA-N 312.370 -0.786 30 20 DBED C[C@H](CC[S@](C)=O)NC(=O)Cn1cc(C#N)c(O)nc1=O 1412590707 LHQLZRATLDQWRC-ZEDNOMKYSA-N 312.351 -0.906 30 20 DBED C[C@]1(CNC(=O)NCCn2cc(C#N)c(O)nc2=O)CCOC1 1413730249 PAJVJGBAUOEBOD-CQSZACIVSA-N 321.337 -0.454 30 20 DBED C[C@@H](C#N)C(=O)NCC1CN(C(=O)CCCn2cncn2)C1 1416120721 PIUQOBSUCHDBIC-NSHDSACASA-N 304.354 -0.207 30 20 DBED COCC(=O)N1CC[C@@](O)(CNC(=O)c2cc(C#N)c[nH]2)C1 1417434239 RFYJVGNZTIKHNI-CQSZACIVSA-N 306.322 -0.774 30 20 DBED Cc1nccc(CNC(=O)CCn2cc(C#N)c(O)nc2=O)n1 1417616188 PLQOBTWFUXWYTR-UHFFFAOYSA-N 314.305 -0.375 30 20 DBED CCN(C(=O)[C@H](C)C#N)[C@H](C)CNC(=O)CCn1cnnn1 1426368881 YFIXOXDYKDQXKN-GHMZBOCLSA-N 307.358 -0.424 30 20 DBED COC(=O)NCC(=O)NCC1CCN(C(=O)[C@H](C)C#N)CC1 1429721695 GNMCYHUTJJJTRS-SNVBAGLBSA-N 310.354 -0.143 30 20 DBED CC(C)c1n[nH]c(CN2CC(O)(CNC(=O)[C@H](C)C#N)C2)n1 1440039271 QNSPFZOIMMEXJA-SNVBAGLBSA-N 306.370 -0.249 30 20 DBED C[C@@H](CNC(=O)c1ccc(C(N)=O)cn1)NC(=O)[C@H](C)C#N 1448026672 AHTDUSXXGAJDQE-BDAKNGLRSA-N 303.322 -0.425 30 20 DBED C[C@@H](C#N)C(=O)N(CCNC(=O)CN1CCCC1=O)C1CC1 1449807174 WGSJPUJFCUXLRY-NSHDSACASA-N 306.366 -0.124 30 20 DBED CC[C@H](CNC(=O)CNC(=O)N1CCCC1)NC(=O)[C@H](C)C#N 1456786094 HVIMKZLYZFUJNJ-VXGBXAGGSA-N 323.397 -0.038 30 20 DBED CC[C@H](C)NC(=O)[C@@H](C)NS(=O)(=O)N1CCO[C@H](C#N)C1 1464513368 QMXPJQOGDFHQAV-HBNTYKKESA-N 318.399 -0.652 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](C1CC1)N(C)C(=O)Cn1cncn1 1487685481 YJIZNPDUUGNAPL-CMPLNLGQSA-N 304.354 -0.209 30 20 DBED Cc1nnc2n1C[C@H](C(=O)N(C)CCNC(=O)[C@H](C)C#N)CC2 1496500478 IUORISCEWNHMCR-ZYHUDNBSSA-N 318.381 -0.117 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)CCC1CCOCC1 1533259252 OLPZFFOOJCGQLN-WCQYABFASA-N 311.382 -0.054 30 20 DBED C=CCOC[C@@H](NC(=O)[C@H]1CCc2nnc(O)n2C1)C(=O)O 1573368413 DJKMOPULGKUSNV-DTWKUNHWSA-N 310.310 -0.682 30 20 DBED C[C@@H](CN=c1cc[nH]c(-c2nn[nH]n2)n1)NC(=O)[C@@H](C)C#N 1573584712 CGQMRQRVQZEBDT-YUMQZZPRSA-N 301.314 -0.845 30 20 DBED N#CC1(C[C@@H](O)CN2CC[C@H](N3C(=O)O[C@H]4CNC[C@H]43)C2)CC1 1580038325 KORAKAITFUVOBZ-DGAVXFQQSA-N 320.393 -0.092 30 20 DBED N#CCN[C@@H]1CCCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1581857546 CHHQTHPCFHVGHZ-SNVBAGLBSA-N 300.326 -0.087 30 20 DBED C=CCCC(=O)NC[C@H](CO)Nc1nccnc1-c1nn[nH]n1 1588571193 VAAQVSZOYJXUOM-SECBINFHSA-N 318.341 -0.488 30 20 DBED CON=CC(=O)N1CCN(c2cc(-c3nn[nH]n3)ccn2)CC1 1591467441 OQCHTVAJUSNLHS-UHFFFAOYSA-N 316.325 -0.458 30 20 DBED N#C[C@@H]1CNC[C@H]1NC(=O)c1ccc(-c2nn[nH]n2)cc1F 1592671507 ICZBAPGJXRIELG-LDYMZIIASA-N 301.285 -0.153 30 20 DBED N#Cc1nc(NC(=O)c2ccc3nncn3c2)[nH]c1-c1nn[nH]n1 1592681566 FXJGMVMPOWJDKB-UHFFFAOYSA-N 321.264 -0.244 30 20 DBED COC(=O)[C@@H]1[C@H]2CN(CC#CCN3C[C@H]4[C@@H](C3)[C@@H]4C(=O)O)C[C@H]21 1606513653 BNMYXPMRDPDFAP-AEZKZLSMSA-N 318.373 -0.397 30 20 DBED COC(=O)CN(C)CCNS(=O)(=O)c1cccnc1C#N 1645720183 SPGBUELTDUTMIE-UHFFFAOYSA-N 312.351 -0.664 30 20 DBED N#Cc1ccc(CNC(=O)N2CC[C@@H](S(N)(=O)=O)C2)nc1 1645785127 JEAKABTYGSJDNW-LLVKDONJSA-N 309.351 -0.474 30 20 DBED COc1ccc(C(=O)NC[C@@H](C)NCC(=O)NCC#N)cn1 1752886897 LWLBVVJFFZLEMI-SNVBAGLBSA-N 305.338 -0.562 30 20 DBED CN(CCNCC(=O)NCC#N)C(=O)C(C)(C)c1cnc[nH]1 1753252063 KDMJMCHVLNAQPY-UHFFFAOYSA-N 306.370 -0.625 30 20 DBED C[C@@H]1C[C@@H](NCC(=O)NCC#N)CCN1C(=O)c1ncc[nH]1 1754592810 HDHBDLDOACEEAQ-MNOVXSKESA-N 304.354 -0.368 30 20 DBED C#CCN(C(=O)CCn1ccnn1)C1CCN(C[C@@H](C)O)CC1 1754636715 XHXADWGQGXPATF-CQSZACIVSA-N 319.409 -0.025 30 20 DBED C=CCNC(=O)[C@H](C)N1CC([C@H](C)NC(=O)c2nc[nH]n2)C1 1755388358 ZVROGYXQFUGNFQ-UWVGGRQHSA-N 306.370 -0.455 30 20 DBED COCC#CCN[C@H](CO)CNC(=O)CCc1ccncc1 1755640437 DQFAHHNVQIERKP-HNNXBMFYSA-N 305.378 -0.269 30 20 DBED C=CCOCC(=O)N[C@H](C)C1CN(C(=O)[C@]2(C)CCC(=O)N2)C1 1756130709 TWXBEHVVQFYRQV-BZNIZROVSA-N 323.393 -0.179 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@H](CO)CNC(=O)c1ncoc1C 1756508686 ZWEOAFAWUYPOFO-QWRGUYRKSA-N 311.338 -0.219 30 20 DBED Cc1cc(=O)c(C(=O)NC[C@H](CO)NC(=O)C#CC2CC2)c[nH]1 1756547318 GFGNFYKIFYFWFF-GFCCVEGCSA-N 317.345 -0.696 30 20 DBED C#CCOCCC(=O)NC[C@@H](O)CN(C)C(=O)c1ccncc1 1756652852 XRFWAUNNPXRGLJ-CQSZACIVSA-N 319.361 -0.329 30 20 DBED COCCOCC(=O)N[C@@H]1CCN(C(=O)C#CC2CC2)C[C@H]1O 1757564140 RJXBUSIRAWHHIF-ZIAGYGMSSA-N 324.377 -0.859 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnn(C)c1C)CCO2 1783049689 LTTFDLPJEDHVCP-MRXNPFEDSA-N 316.361 -0.195 30 20 DBED O=C(O)C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnc[nH]1 1795070242 PMWCSOBVBSGEBN-JGPRNRPPSA-N 316.317 -0.251 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)CNC(=N)N)C2 1841608499 XQLFRGFNRCYKEN-NSHDSACASA-N 323.397 -0.736 30 20 DBED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)[C@H]2C[C@@H](O)C2)C1 1843845546 PVZOUPXBXLFQIW-PHIMTYICSA-N 306.318 -0.951 30 20 DBED C#CCNC(=O)COC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 8563550 IDHHUNKIAFKYSM-NSHDSACASA-N 304.302 -0.079 30 20 DBED Cn1c(=O)ccn(CC(=O)NCc2cc(C#N)ccc2F)c1=O 80775902 NTEMVWHJMWMILF-UHFFFAOYSA-N 316.292 -0.126 30 20 DBED C#CCNC(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 127180787 HESROLUUCCWTOF-UHFFFAOYSA-N 322.390 -0.201 30 20 DBED C=CC[C@H](NC(=O)C1CCN(S(C)(=O)=O)CC1)C(=O)O 150091747 SXWOAUSIEAGXKO-JTQLQIEISA-N 304.368 -0.197 30 20 DBED C=C(C)CN(CC)C(=O)CN1CCN2C(=O)C(=O)NC[C@@H]2C1 152715100 FFPCHKUFESBNJO-GFCCVEGCSA-N 308.382 -0.946 30 20 DBED CC/N=C(/NC[C@@H]1CN2CCN1CC2)N1CC[C@H](COC)C1 261631866 CVUPGNYTWQGGAO-LSDHHAIUSA-N 309.458 -0.080 30 20 DBED CN(CCC#N)S(=O)(=O)N1CC[C@@H](N2CCNCC2)C1 262368854 WKLXLLGDUAURQJ-GFCCVEGCSA-N 301.416 -0.944 30 20 DBED COc1ccc(CNC(=O)C/N=C(\N)N2CCOCC2)cc1 264115545 SMBHGUIVTNGNKD-UHFFFAOYSA-N 306.366 -0.042 30 20 DBED CC[C@@H](C#N)NC(=O)c1cc(S(=O)(=O)NCCOC)c[nH]1 266802338 FQMVIWHWOUIRFN-VIFPVBQESA-N 314.367 -0.029 30 20 DBED C=CCSCCNC(=O)CNS(=O)(=O)c1cn(C)cn1 268117029 NFAPTVOZIVFLOO-UHFFFAOYSA-N 318.424 -0.266 30 20 DBED COC(=O)C[C@H]1C(=O)NCCN1CCC(=O)N(C)CCC#N 271481440 DLFIUKOBAQYDOR-NSHDSACASA-N 310.354 -0.888 30 20 DBED CN(CCC#N)C(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 276864085 GLDSSHWFUQBDGD-UHFFFAOYSA-N 318.337 -0.804 30 20 DBED C#CCN(CC#N)C(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 281473476 GVOWOBROOKMPEN-RFHZTLPTSA-N 315.329 -0.476 30 20 DBED C#C[C@H](NC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)C(C)C 281921431 HAFRPCABTDTXNF-QPKSUZNQSA-N 304.346 -0.077 30 20 DBED COc1ccc(C#N)cc1NC(=O)C(=O)N(C)[C@@H]1COC[C@H]1O 289123658 QMYVOQSQFLUBKT-VXGBXAGGSA-N 319.317 -0.277 30 20 DBED CC(C)CN1CCN(C(=O)C(=O)N(C)C[C@@H](C)C#N)CC1=O 298645312 NXLXTFWCCHOQCD-LBPRGKRZSA-N 308.382 -0.069 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCCCCCOC)C1=O 299597891 WFUFHMMWJRRRGC-UHFFFAOYSA-N 311.338 -0.104 30 20 DBED CC[C@@H](C)NC(=O)[C@@H]1CSCN1C(=O)Cn1cnc(C#N)n1 331178103 XWNRLERQVNYBQE-ZJUUUORDSA-N 322.394 -0.034 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N1CCS(=O)(=O)C[C@H](C)C1 332061417 YVDGDCAXJQELNB-GHMZBOCLSA-N 323.440 -0.311 30 20 DBED COC[C@@H]1CN(S(=O)(=O)N2CCO[C@@H](C#N)C2)C[C@@H](C)O1 337160958 UDCTXCUOEDYJBA-WOPDTQHZSA-N 319.383 -0.809 30 20 DBED CCOC(=O)CN(CCOC)C(=O)CNc1ccc(C#N)cn1 345269956 RFSFTCVECAEOIR-UHFFFAOYSA-N 320.349 0.403 30 20 DBED C[C@H](O)C(=O)N1CCN([C@H](C)C(=O)NC2(C#N)CCC2)CC1 346548285 ARISXNWOOPXGHG-NEPJUHHUSA-N 308.382 -0.538 30 20 DBED C[C@@H](NC(=O)CS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)C 359204285 WZWVSEBLRNUGKC-SNVBAGLBSA-N 323.374 -0.075 30 20 DBED CN(CCC#N)S(=O)(=O)N1CCOC[C@H]1[C@@H]1CCCO1 408070280 INZFNLJGWCSABK-RYUDHWBXSA-N 303.384 -0.044 30 20 DBED CC(C)NS(=O)(=O)NCCNC(=O)NCC1(C#N)CCC1 419491505 JYIJJPDMJXPLOH-UHFFFAOYSA-N 317.415 -0.188 30 20 DBED C#C[C@@H](CC)NC(=O)CCc1nc2c(O)nc(=O)n(C)c2[nH]1 491741979 WDCRPUFPMPRETN-QMMMGPOBSA-N 303.322 -0.177 30 20 DBED CNC(=O)CN(C)C(=O)C(=O)Nc1ccc(C#N)cc1OC 545296600 YXMJLGWHJKIVDD-UHFFFAOYSA-N 304.306 -0.290 30 20 DBED N#CCNC(=O)CNC(=O)Cn1cc(C(N)=O)c2ccccc21 557783960 HMZHKNAXVAKFPL-UHFFFAOYSA-N 313.317 -0.504 30 20 DBED CCO[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1cc(C)n(CCC#N)n1 567117275 MVBDCWYCDMVWOQ-WDEREUQCSA-N 305.338 0.337 30 20 DBED N#Cc1cccc(NC(=O)C(=O)N2CCN3CCOC[C@H]3C2)n1 579950087 SEVCEFKWQCXVDE-GFCCVEGCSA-N 315.333 -0.565 30 20 DBED N#Cc1ncn(CCNC(=O)NC[C@H](CO)Cc2ccco2)n1 581685982 WZTTXDDBUUIJNV-LLVKDONJSA-N 318.337 -0.107 30 20 DBED C=CCn1cc(C(=O)N[C@H](CCC(=O)OC)C(=O)OC)nn1 592793992 XNTRMGNZOBIPHF-SECBINFHSA-N 310.310 -0.311 30 20 DBED N#CCNC(=O)CNC(=O)N[C@H]1CCc2ccccc2NC1=O 594248840 UDCKDOXYYGRISU-LBPRGKRZSA-N 315.333 -0.121 30 20 DBED C[C@@H](NC(=O)C(=O)NC[C@H]1COCCN1)c1ccc(C#N)cc1 599947359 WJZPBIVSZZZARY-RISCZKNCSA-N 316.361 -0.160 30 20 DBED CC1(C)CN(C(=O)C(=O)N2CCN(CCC#N)CC2)CC[C@H]1O 601533851 RGHOPAXBMWLXTA-CYBMUJFWSA-N 322.409 -0.336 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N[C@H](C)[C@@H]1CN(C)CCO1 619712243 MGPDKICBUHKYQG-UTUOFQBUSA-N 304.416 -0.369 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCNCC2(C)C)C1=O 644131433 AHUNZXXWRWRBJG-SNVBAGLBSA-N 322.365 -0.533 30 20 DBED CN(CC#CCN(C)C[C@H]1COCCO1)C[C@H]1COCCO1 661613611 ZMZYRHRMNJQMDB-HOTGVXAUSA-N 312.410 -0.316 30 20 DBED COc1ncnc(N)c1C=NNc1ccc(S(N)(=O)=O)cn1 747632553 FLHXCMZSOOWJHS-UHFFFAOYSA-N 323.338 -0.444 30 20 DBED NC(=O)CNC(=S)NN=C(CO)c1ccc(F)cc1F 749609234 VSLVBXLXWYXAMG-UHFFFAOYSA-N 302.306 -0.389 30 20 DBED CCS(=O)(=O)NCC(=O)OCC(=O)N[C@@](C)(C#N)C1CC1 767386961 LYXWLAWORLRXQS-LBPRGKRZSA-N 317.367 -0.723 30 20 DBED COC[C@@H](C#N)OC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 785091962 BLGDJIWMFJHDCC-VKISENBKSA-N 304.302 -0.125 30 20 DBED N#CCCCS(=O)(=O)NC(=O)[C@H]1CCCCS1(=O)=O 791865775 JLGDPBILFAUMRW-SECBINFHSA-N 308.381 -0.297 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)NN1CC(=O)N(C)C1=O 800105243 NEAXXJRVFVMCQB-QMMMGPOBSA-N 303.344 -0.889 30 20 DBED C#CCCCNC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)NC)C1 806913287 VHEKOEYKYOLNOW-LLVKDONJSA-N 315.395 -0.944 30 20 DBED CN(CCC(=O)O)S(=O)(=O)N1CCN(C2CC2)[C@@H](C#N)C1 830735586 UHGQBBDTIPJBFO-NSHDSACASA-N 316.383 -0.690 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)C2(C#N)CC(C)C2)CC1 831565528 UNKDPIKPUMIOEQ-UHFFFAOYSA-N 324.406 -0.462 30 20 DBED COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)NCC#CCO 848040965 UBKQUBNKAHIHDU-UHFFFAOYSA-N 322.273 -0.093 30 20 DBED C#C[C@@](C)(CC)NCCn1cnc2c1c(=O)n(C)c(=O)n2C 852101570 SAHDZQDUSQJSNG-HNNXBMFYSA-N 303.366 -0.175 30 20 DBED N#Cc1cc(F)ccc1N1CCN(C(=O)C2(O)CNC2)CC1 877251643 SMPHDVXVXSEBPG-UHFFFAOYSA-N 304.325 -0.320 30 20 DBED C#CC1(O)CN(C(=O)c2cc3c(=O)n(C)c(=O)n(C)c3s2)C1 890526347 MYUHDZALNKZSHN-UHFFFAOYSA-N 319.342 -0.881 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)/C=C/c2cn(C)cn2)CC1 931875305 VJOOKCIIHQTZSP-SNAWJCMRSA-N 315.377 -0.673 30 20 DBED Cc1nn(C)cc1C1=NO[C@H](C(=O)N2CCO[C@@H](C#N)C2)C1 932147408 IXPPQFWXOAHVHD-GWCFXTLKSA-N 303.322 -0.028 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CN2CCN(C)C(=O)C2)C[C@H]1C 947458381 FXODAVYQFFNRGB-HUUCEWRRSA-N 320.437 -0.247 30 20 DBED Cc1nn(CC(=O)N[C@@H]2CCN(CC#N)[C@@H](C)C2)c(=O)n1C 947984645 JFWFOGKEDMPGLH-CMPLNLGQSA-N 306.370 -0.617 30 20 DBED C=CCN1CC[C@@H](N2CCN(C(=O)[C@H]3CCOC3)CC2)C1=O 948598938 HSPHXZMXJKFEAP-UONOGXRCSA-N 307.394 -0.046 30 20 DBED CC#CCN1CCOC2(CCN(C(=O)Cn3cnnn3)CC2)C1 949291370 AEQRUPZABUGOKU-UHFFFAOYSA-N 318.381 -0.610 30 20 DBED NC(=O)N1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)C#CC1CC1 950842844 VNDNNVHXUPPHDF-OLZOCXBDSA-N 318.377 -0.340 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)C(C)(C)C(N)=O 952176409 GDGQZGPHIGKEAP-UTUOFQBUSA-N 323.393 -0.194 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@@H]2CCCN2C(=O)CC(N)=O)c1 955935145 UHRWVJKGXGTSNH-JTQLQIEISA-N 303.322 -0.517 30 20 DBED C[C@]1(NC(=O)[C@H]2CCNC2=O)CCN(C(=O)C#CC2CC2)C1 957269613 JYMWXVWUXGHCQG-LRDDRELGSA-N 303.362 -0.357 30 20 DBED C=C(C)CN1C[C@H](CNC(=O)c2ccc(C(N)=O)o2)[C@@H](O)C1 958239016 IRNVJJRRBIPYHE-QWRGUYRKSA-N 307.350 -0.023 30 20 DBED CC#CCN1C[C@H](O)[C@H](CNC(=O)c2conc2COC)C1 958585091 WGUMXYKFNACORR-RISCZKNCSA-N 307.350 -0.133 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H]2CN(C(=O)c3ccon3)C[C@@H]21 960879977 GUGHHBZPDIRPRP-ZMLRMANQSA-N 304.306 -0.114 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1[C@@H]2CN(Cc3cnnn3C)C[C@@H]21 961828405 XCCWIAQFTNPKEA-MRLBHPIUSA-N 317.393 -0.047 30 20 DBED CC#CCN1C[C@H]2C(NC(=O)C3CCS(=O)(=O)CC3)[C@@H]2C1 961911960 PNJPHYASDKKDJZ-CHWSQXEVSA-N 310.419 -0.119 30 20 DBED C#CCN1C[C@H]2C(NC(=O)[C@@H](C3CC3)N3CCOCC3)[C@@H]2C1 962690335 NQSPRFNAVVTSEX-IIAWOOMASA-N 303.406 -0.223 30 20 DBED N#CCN1CCC[C@@H]1[C@@H]1CCCN(C(=O)Cn2ncnn2)C1 963300365 BPTUKOVBGIVMOG-CHWSQXEVSA-N 303.370 -0.100 30 20 DBED N#Cc1ccc(C(=O)N2C[C@@H]3CCCN(C(=O)C(N)=O)[C@@H]3C2)[nH]1 963829470 UFAHQDYPLSEKHQ-JOYOIKCWSA-N 315.333 -0.565 30 20 DBED Cc1c(C(=O)NC[C@H]2COCCN2C(=O)[C@H](C)C#N)cnn1C 964103034 MCVZDIRJJUNDFX-PWSUYJOCSA-N 319.365 -0.155 30 20 DBED Cc1ncc(C(=O)N2CC3(C2)CN(C(=O)[C@H](C)C#N)CCO3)[nH]1 965475370 WCYGQVLLLKKUKD-SNVBAGLBSA-N 317.349 -0.069 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(CC)C1CN(C(=O)CC(N)=O)C1 968005196 STXYVZOHWAYLJD-WFASDCNBSA-N 323.393 -0.098 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@]2(CN(Cc3nc(O)n[nH]3)CCO2)C1 972299320 ZYEXBQYIICNXBZ-YGRLFVJLSA-N 320.353 -0.527 30 20 DBED CN(CC#N)[C@H]1CCN(C(=O)Cn2nc3n(c2=O)CCCC3)C1 972682485 FPKVHDAYWBLCSI-LBPRGKRZSA-N 318.381 -0.563 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2COC(=O)N2)C1 973231203 NPARQSROLGRTJA-OOCWMUITSA-N 323.349 -0.551 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]2CCN(C(=O)c3nnn(C)n3)[C@H]2C1 975970552 YSKOCUCVZVYJNB-VWYCJHECSA-N 317.353 -0.567 30 20 DBED C#CCN1CCC(C(=O)N[C@@H]2CN(CC(N)=O)CC2(C)C)CC1 977651742 GJAWECNJOUOAQL-CQSZACIVSA-N 320.437 -0.357 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)C(N)=O)C1 978872797 CATZXJNJKTYVMN-USZNOCQGSA-N 309.366 -0.536 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](CNC(=O)c2cn(C)c(O)n2)C1 983213533 YPHLSFSDJNOMSA-VHSXEESVSA-N 305.338 -0.136 30 20 DBED C#Cc1ccc(C(=O)N2CC(NC(=O)Cn3cccn3)C2)nc1 990240023 OPBRNXAZHPMCBR-UHFFFAOYSA-N 309.329 -0.100 30 20 DBED C#CCN1CC[C@@]2(NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)CCC[C@@H]12 992176029 WBFCZXDEWVXCIH-VLXAULBPSA-N 305.378 -0.234 30 20 DBED C#CCCN1CCC[C@H](NC(=O)CN2CCOCC2=O)[C@H]1C 993422011 LHXGZVBRZASNGP-KGLIPLIRSA-N 307.394 -0.162 30 20 DBED C[C@@H](C#N)C(=O)N1CC(N2C[C@@H](NC(=O)C3CCC3)CC2=O)C1 995477961 QGKVAGBOZIAZIS-JQWIXIFHSA-N 318.377 -0.126 30 20 DBED C[C@@H](NC(=O)c1cn(CC(N)=O)nn1)C1CCN(CC#N)CC1 997434468 OOJOVWRLCDBIMK-SNVBAGLBSA-N 319.369 -0.883 30 20 DBED CN1CC[C@H](C(=O)NC2CN(C(=O)c3c[nH]c(C#N)c3)C2)C1=O 997918881 XLKOWTYPUFHGNG-GFCCVEGCSA-N 315.333 -0.695 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)c2nccnc2N)C1 1000005646 PCDNTGIEDYAYJK-MNOVXSKESA-N 317.349 -0.410 30 20 DBED C[C@H](C#N)C(=O)N1CC(CNC(=O)c2cccn3nnnc23)C1 1002106211 CFUZFCYWIIQPSC-SECBINFHSA-N 313.321 -0.528 30 20 DBED C[C@@H]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)CN1C(=O)CC(N)=O 1012409132 UVSRADUPLOOPBT-SCZZXKLOSA-N 303.322 -0.519 30 20 DBED Cc1[nH]nc(C(=O)NC2[C@@H]3CN(C(=O)[C@H](C)C#N)C[C@@H]23)c1O 1012967993 ZAKRJVBIRDKHMR-FTLITQJKSA-N 303.322 -0.230 30 20 DBED C#CCCN1CC[C@@H](NC(=O)[C@H]2CCc3nnnn3CC2)C1 1015731134 KFDSAWVXOKZWAA-QWHCGFSZSA-N 302.382 -0.161 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@H]2OCCN(C(=O)C(N)=O)[C@H]2C1 1019908700 UCEZKILHAFROBH-WDEREUQCSA-N 309.366 -0.488 30 20 DBED C#CCN[C@H]1C[C@@H](NC(=O)c2cn(C[C@H]3CCOC3)nn2)C1 1022904295 JXGCAIITDUDDRG-UPJWGTAASA-N 303.366 -0.202 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 1023465980 LUXLBSUEKFEMBG-GGZOMVNGSA-N 301.306 -0.652 30 20 DBED C=CCCN1[C@H]2CC[C@H]1CN(C(=O)CN1CCNC(=O)C1)C2 1029419682 ITRVFKQMJUDXLI-KBPBESRZSA-N 306.410 -0.331 30 20 DBED CN(C(=O)c1cn([C@H]2CCOC2)nn1)[C@H]1CCN(CC#N)C1 1033565377 FROFZKUSEZGQAY-RYUDHWBXSA-N 304.354 -0.091 30 20 DBED C#CCN1CCCC[C@H](NC(=O)CN2CCN(C)C(=O)C2)C1 1034278937 NFFBLFSUOHUUNK-AWEZNQCLSA-N 306.410 -0.636 30 20 DBED Cc1cn2nc(C(=O)NC[C@H]3CCN3CC#N)cc2c(=O)[nH]1 1038551858 FFXUVKIIJRLCDR-SNVBAGLBSA-N 300.322 -0.341 30 20 DBED C=C(Cl)CN1CC[C@H]1CNC(=O)[C@@H]1CC(=O)NC(=O)N1 1038750014 AMUGYTJTIMMFKQ-IUCAKERBSA-N 300.746 -0.473 30 20 DBED Cc1ccc(C(=O)NC[C@]2(O)CCN(C(=O)[C@@H](C)C#N)C2)nn1 1039692463 XMVDVRIWXPRFFX-ZUZCIYMTSA-N 317.349 -0.362 30 20 DBED C#CCOCCC(=O)N1CC[C@](O)(CNC(=O)[C@H]2CCCO2)C1 1040107893 PGJWPMHIKMKZLG-CJNGLKHVSA-N 324.377 -0.715 30 20 DBED C=CCCC(=O)N1CC[C@](O)(CNC(=O)Cn2cncn2)C1 1040961253 BFHMFEPJQQOSEB-AWEZNQCLSA-N 307.354 -0.676 30 20 DBED N#CCN1CC[C@@]2(CCN(C(=O)[C@@H]3CCS(=O)(=O)N3)C2)C1 1041836035 NYEGKCIUTRAJFT-WCQYABFASA-N 312.395 -0.874 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)CCn2ccnc2)C1 1041973416 ZPDFSWGADLQGSK-UHFFFAOYSA-N 306.366 -0.071 30 20 DBED C=CCC1(C(=O)N2CC(O)(CNC(=O)CC(N)=O)C2)CCCC1 1042227381 WSCZCQBIVDGCCP-UHFFFAOYSA-N 323.393 -0.312 30 20 DBED CN1CC(=O)N(CC(=O)N2CC[C@@H]3CCN(CC#N)[C@@H]3C2)C1=O 1042346897 XWRFHHBQZMDQEF-NWDGAFQWSA-N 319.365 -0.673 30 20 DBED C=CC(C)(C)CC(=O)N1CC(O)(CNC(=O)c2ncn(C)n2)C1 1042896791 YIVAXRPVNRXIIM-UHFFFAOYSA-N 321.381 -0.280 30 20 DBED C[C@@H]1CO[C@@H](C(=O)N2CC(O)(CNC(=O)C#CC3CC3)C2)C1 1042958278 IGQWWYQHLCWCAQ-WCQYABFASA-N 306.362 -0.486 30 20 DBED C=C(C)C[C@@H](C)C(=O)N1CC(O)(CNC(=O)Cn2nccn2)C1 1043213550 AKBMKUXRDCQFDS-GFCCVEGCSA-N 321.381 -0.430 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)[C@H]2CO[C@@H](C)C2)C1 1043624970 MBMYBTKUQHZIDE-NWDGAFQWSA-N 312.366 -0.697 30 20 DBED N#Cc1cnc(N2C[C@H](O)[C@H](NC(=O)c3cccnc3)C2)cn1 1043825627 JTISVFGLRODWPJ-OLZOCXBDSA-N 310.317 -0.277 30 20 DBED N#Cc1cncc(N2C[C@H](O)[C@H](NC(=O)c3nccs3)C2)n1 1044136606 RNAVPXIZTBIZBV-ZJUUUORDSA-N 316.346 -0.216 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)c2cccnn2)C1 1045231437 FNPRFGWNWZVQKW-UHFFFAOYSA-N 302.334 -0.561 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)[C@@H](OC)C(C)C)C1 1045734926 KOVVRLLCVSLZOL-ZDUSSCGKSA-N 314.382 -0.451 30 20 DBED C#CCN1CC[C@H](N2CCN(C(=O)Cc3cncnc3)CC2)C1 1046025604 DWJPECGGLJPYQK-INIZCTEOSA-N 313.405 -0.129 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCC1(O)CN(C(=O)c2ccon2)C1 1046814735 PRENDRYXTPSOLF-PWSUYJOCSA-N 321.333 -0.431 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccn(CCN(C)C)n2)C1 1047383400 ASIKIMXMVLJZCR-GJZGRUSLSA-N 319.409 -0.805 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CC2CC2)C1 1048002750 DAQHGWGAMYBXEO-XBFCOCLRSA-N 308.378 -0.145 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)C[C@H]2CCOC2)C[C@@H]1O 1049395309 SQGQKNWOQJOKBC-RNJOBUHISA-N 309.366 -0.397 30 20 DBED N#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[C@@H](C(N)=O)O1 1049725245 WFBNQLPMYLCKTI-FVCCEPFGSA-N 306.366 -0.392 30 20 DBED C=CCN1CCOC[C@@H]1CNC(=O)c1ccc2nnnn2c1 1051027191 RLYLWLUEYDKGTO-LBPRGKRZSA-N 302.338 -0.259 30 20 DBED N#CCN1CCOC[C@@H]1CNC(=O)c1cccn2c(O)nnc12 1051203342 HXKZWMKYQXXENA-JTQLQIEISA-N 316.321 -0.611 30 20 DBED C#CCCN1CCOC[C@@H]1CNC(=O)c1cnn(C)c1OC 1051227639 PNEIHBLCYIWHLI-LBPRGKRZSA-N 306.366 -0.117 30 20 DBED CNC(=O)c1cccc(C(=O)NC[C@H]2COCCN2CC#N)n1 1051229224 WRYYZBGUWFDJFL-NSHDSACASA-N 317.349 -0.605 30 20 DBED N#Cc1nccc(N2CC[C@@H](NC(=O)c3cnco3)[C@@H](O)C2)n1 1051756725 ZSTIHTNDMSRVBE-ZJUUUORDSA-N 314.305 -0.294 30 20 DBED C=CCN1CCN([C@@H]2CCN(C(=O)[C@@]3(C)CCNC3=O)C2)CC1 1052079501 BLBFLZKYWRFRAW-PBHICJAKSA-N 320.437 -0.083 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1CNC(=O)Cc1nc[nH]n1 1052554378 OYEALPVIDKVSEY-DGCLKSJQSA-N 315.377 -0.029 30 20 DBED C#CCOCCC(=O)NC[C@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1C 1053161963 SXCQGYDDSVMITN-NEPJUHHUSA-N 319.365 -0.331 30 20 DBED C=CCCN1CC2(C1)CN(C(=O)C1CS(=O)(=O)C1)CCO2 1053272064 NFGIRLPTYYEEEU-UHFFFAOYSA-N 314.407 -0.480 30 20 DBED C=CCCN1CC2(C1)CN(C(=O)[C@@H]1CC(=O)N(C)C1)CCO2 1053279048 FAEYFAOOJHTKHQ-CYBMUJFWSA-N 307.394 -0.046 30 20 DBED C#CCN1CC2(C1)CN(C(=O)c1cnc3n1CCC3)CCO2 1053291226 DWBOIUJHAGGLQF-UHFFFAOYSA-N 300.362 -0.011 30 20 DBED C#CCN1CC2(C1)CN(C(=O)c1cn3cccnc3n1)CCO2 1053327336 BFWLMIXUGCUAND-UHFFFAOYSA-N 311.345 -0.111 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)[C@@H]3CC(=O)N(C(C)C)C3)CO2)C1 1053818746 VPNSWCUQSDQRPV-KGLIPLIRSA-N 319.405 -0.164 30 20 DBED C[C@@H](C#N)C(=O)N[C@]1(CO)CCCN(C(=O)c2cnns2)C1 1056092848 FFAXAGUSASFJCK-TVQRCGJNSA-N 323.378 -0.219 30 20 DBED Cc1nc[nH]c1C(=O)N1CCC[C@@](CO)(NC(=O)[C@H](C)C#N)C1 1056095519 CHKPJXCLSRXJPI-MEBBXXQBSA-N 319.365 -0.039 30 20 DBED N#Cc1nccc(N2C[C@H]3C(NC(=O)Cn4cncn4)[C@@H]3C2)n1 1056217644 PHVRBLYSWYTSIZ-NXEZZACHSA-N 310.321 -0.809 30 20 DBED Cn1ccc(C(=O)NC2[C@@H]3CN(c4ccnc(C#N)n4)C[C@@H]23)n1 1056226235 UFDLOUUAIGDTNK-NXEZZACHSA-N 309.333 -0.054 30 20 DBED N#Cc1cncc(N2C[C@H]3C(NC(=O)Cn4ccnc4)[C@@H]3C2)n1 1056246132 QRWUIMOHLQMJTJ-VXGBXAGGSA-N 309.333 -0.204 30 20 DBED CN1C(=O)CC[C@H]1C(=O)N1CC[C@@H](Nc2cnc(C#N)cn2)C1 1056746953 BNUIYUCQSYQFIJ-PWSUYJOCSA-N 314.349 -0.018 30 20 DBED C#Cc1ccc(C(=O)NCCN(CCO)C(=O)C(F)F)cn1 1056749034 QVQZKBBQHJBBKQ-UHFFFAOYSA-N 311.288 -0.121 30 20 DBED Cn1ccc(C(=O)N2CC[C@@H](N=c3cc[nH]c(C#N)n3)C2)cc1=O 1056815595 RDQPLPZOISWULX-GFCCVEGCSA-N 324.344 -0.205 30 20 DBED C=C[C@@H](C)[C@H](C)C(=O)NCCN(CCO)C(=O)c1cnnn1C 1057474165 CWJBAEZMYRRZKM-NEPJUHHUSA-N 323.397 -0.176 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)CO[C@H]1CCOC1 1057591091 DUZYCYONWNQENC-ZDUSSCGKSA-N 314.382 -0.305 30 20 DBED C#CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)[C@@H]1CC12CC2 1058942497 DBDYDVIUUSMUTK-STQMWFEESA-N 308.378 -0.238 30 20 DBED Cn1nnc(C(=O)N2CC[C@@H](CNc3ccc(C#N)nn3)C2)n1 1060963357 IVPHWAHQSRGREZ-VIFPVBQESA-N 313.325 -0.554 30 20 DBED C=CCCOCC(=O)N1CCOC[C@@H]1CNC(=O)COCC 1061245539 OMOGHRMKCGDLFY-ZDUSSCGKSA-N 314.382 -0.041 30 20 DBED N#Cc1cncc(N2CCC[C@H]2CNC(=O)[C@H]2CCC(=O)N2)n1 1061327043 ASWKRGFBVDNJGQ-NWDGAFQWSA-N 314.349 -0.288 30 20 DBED N#Cc1nccc(N2CCC[C@H]2CNC(=O)[C@@H]2COC(=O)N2)n1 1061353788 QRSPWIHSDABHBG-UWVGGRQHSA-N 316.321 -0.458 30 20 DBED C=CCOCC(=O)NC[C@H]1COCCN1C(=O)[C@H](C)OC 1061420593 AMYXFKBRDRXIRI-RYUDHWBXSA-N 300.355 -0.433 30 20 DBED Cc1nonc1C(=O)N1CCOC[C@@H]1CNC(=O)[C@@H](C)C#N 1061850746 BCIHJXDQJSNFGD-WPRPVWTQSA-N 307.310 -0.505 30 20 DBED N#Cc1nccc(N2[C@H]3CC[C@H]2CN(C(=O)CC(N)=O)C3)n1 1061939218 VHAHTSKLDKNUPV-UWVGGRQHSA-N 300.322 -0.597 30 20 DBED N#CCSCC(=O)NC[C@@H]1CN(C(=O)c2cc[nH]n2)CCO1 1064887892 QETUIFZYZMFKSC-SNVBAGLBSA-N 323.378 -0.376 30 20 DBED N#Cc1ccc(NC[C@@H]2CCCN2C(=O)[C@@H]2COC(=O)N2)nn1 1064901741 HTWPLWQELJISAF-QWRGUYRKSA-N 316.321 -0.140 30 20 DBED C=CCCC(=O)N1CCO[C@H](CNC(=O)CCNC(N)=O)C1 1064961344 IDQSJVPXGFDGNL-LLVKDONJSA-N 312.370 -0.645 30 20 DBED C#CCOCCC(=O)N1CCO[C@H](CNC(=O)C(F)F)C1 1065150288 OQKGWQIGQPWBQS-SNVBAGLBSA-N 304.293 -0.365 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)c2cnn[nH]2)CCO1 1065326599 PNZIJJCOXQKBMZ-NSHDSACASA-N 305.338 -0.435 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)COCC(F)F)C1 1065559637 GDPXQZCLGWOYAF-ZJUUUORDSA-N 319.308 -0.229 30 20 DBED C=CC(C)(C)C(=O)NC[C@H]1CN(C(=O)Cn2cncn2)CCO1 1065637730 GTRNYUFMCPHLQR-LBPRGKRZSA-N 321.381 -0.166 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@H](N2CCN(C(C)=O)CC2)C1 1065703928 HGTGNKUUVSLVDC-ZFWWWQNUSA-N 307.394 -0.210 30 20 DBED N#Cc1c[nH]c(C(=O)N2CCC[C@H](NC(=O)CC(N)=O)CC2)c1 1066008600 PSYVJXAJXQYYSP-NSHDSACASA-N 317.349 -0.127 30 20 DBED N#Cc1nccc(N2CCOC[C@@H]2CNC(=O)c2cn[nH]c2)n1 1066465117 BLOZICREHAEIRO-NSHDSACASA-N 313.321 -0.293 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@@H](CNC(=O)c3cnon3)C2)cn1 1067677247 BBVRZTBQGZTPPS-TVQRCGJNSA-N 314.305 -0.437 30 20 DBED CCC(=O)NCC(=O)N1CCOC2(C1)CN(C(=O)[C@@H](C)C#N)C2 1068360269 WDLBUYXOWLNEGY-NSHDSACASA-N 322.365 -0.888 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CN(C(=O)CCN(C)C)CCO2)C1 1068453671 AFHKWFJWKVTCMK-GFCCVEGCSA-N 308.382 -0.462 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CCC2(CN(C(=O)c3cnn[nH]3)C2)O1 1068619879 DBUCNLDMJPJYPN-UWVGGRQHSA-N 318.337 -0.546 30 20 DBED C[C@H]1[C@H](N=c2cc[nH]c(C#N)n2)CCN1C(=O)c1cnnn1C 1068835297 MNEDXMXYNZAUPY-VHSXEESVSA-N 312.337 -0.386 30 20 DBED CN(C(=O)[C@H]1C[C@H]1C(N)=O)C1CC(Nc2ccc(C#N)nn2)C1 1069794186 IBAKNFYOERCGQB-HCWSGVFWSA-N 314.349 -0.129 30 20 DBED N#CCN1CCn2ncc(CNC(=O)C34CCN(CC3)C4)c2C1 1069880925 BIWCBBYNDCLHND-UHFFFAOYSA-N 314.393 -0.066 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H]2COCCN2C)C1 1069912219 SLWSWTOOBKGHFK-RDBSUJKOSA-N 320.397 -0.864 30 20 DBED N#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)Cc2cncnc2)C1 1069918260 HZVFLRVMZQTUCV-OLZOCXBDSA-N 312.337 -0.824 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)Cc2ncc[nH]2)CCOCC1 1070233048 YQPFIWAEVIALST-NSHDSACASA-N 319.365 -0.107 30 20 DBED CC(=O)NCC(=O)N1CCC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 1070369478 YVKDYYYQKICUMM-GFCCVEGCSA-N 317.349 -0.257 30 20 DBED C#CCCCCC(=O)N[C@@H]1CCCN(C(=O)Cn2cnnn2)C1 1070410307 BFALOEOBPVUJES-CYBMUJFWSA-N 318.381 -0.026 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)CCc2nc[nH]n2)CC1 1070951859 ZXFXJOIPZJGZJL-UHFFFAOYSA-N 318.381 -0.979 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)C[C@@H]2CCC(=O)N2)CC1 1071008200 MZODSTIHKROSTJ-ZDUSSCGKSA-N 322.409 -0.508 30 20 DBED C[C@@H]1CN(C(=O)Cc2nc[nH]n2)C[C@@]2(CCN(CC#N)C2)O1 1071232011 XUWUWPDVOJMGKA-RISCZKNCSA-N 304.354 -0.437 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H](N2CCN(CCO)CC2=O)C1 1071259162 ZZOUXHNXDKQCET-OLZOCXBDSA-N 308.382 -0.726 30 20 DBED C[C@@H]1CN(C(=O)C2(NC(N)=O)CC2)C[C@H]1NC(=O)C#CC1CC1 1071926118 SMSKYYMTWJJRCG-ZYHUDNBSSA-N 318.377 -0.436 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](NC(=O)C(F)F)[C@H](C)C1 1071936122 LQDPPSLJMRFIER-RKDXNWHRSA-N 301.293 -0.646 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)[C@H]2CCCCC(=O)N2)C1 1073762567 GOXVCOOSCVJZIE-ZIAGYGMSSA-N 307.394 -0.115 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)[C@H]2CCCS2(=O)=O)C1 1073896044 JLJBUUAYXFBVIJ-QWHCGFSZSA-N 314.407 -0.596 30 20 DBED C=CCOCC(=O)N1CC[C@H](NC(=O)C2(C(N)=O)CC2)[C@@H](C)C1 1074180147 YJRCVSOEFIDROH-RYUDHWBXSA-N 323.393 -0.192 30 20 DBED C=CCO[C@@H](C)C(=O)N1C[C@H]2CCN(C(=O)C(N)=O)CC[C@H]2C1 1074360404 XIYJKOUQGIXLEU-RWMBFGLXSA-N 323.393 -0.240 30 20 DBED C=CCN1C[C@@H]2CCN(C(=O)c3cnc(O)n(C)c3=O)[C@@H]2C1 1076121204 WLNOAXOPNQJMHG-CMPLNLGQSA-N 304.350 -0.182 30 20 DBED C=CCOCC(=O)N[C@@H](C)CCNC(=O)[C@H](C)NC(N)=O 1076266017 CEPCJEKTXCBRKN-UWVGGRQHSA-N 300.359 -0.743 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC(=O)N(CC(C)C)C2)C1 1077087735 ROIQNMUZEJKBDD-MGPQQGTHSA-N 307.394 -0.715 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2cc(=O)c3ccccc3[nH]2)C1 1077331572 FKIVPWLMGNEBNI-UKRRQHHQSA-N 312.329 -0.173 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)c2ccnc(N(C)C)c2)C1 1077767688 OMSNRMCZSCHBJH-ZIAGYGMSSA-N 302.378 -0.054 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2cccc(NC(N)=O)c2)C1 1078158589 LXHVCNSJSIRRIR-VXGBXAGGSA-N 303.322 -0.524 30 20 DBED CN1CC(=O)N(CC(=O)N[C@@H]2C[C@H](NCC#N)C23CCC3)C1=O 1078802616 GDLSLHBBXZBUKJ-WDEREUQCSA-N 319.365 -0.579 30 20 DBED C#CCN[C@H]1C[C@@H](NC(=O)c2nccnc2C(N)=O)C12CCC2 1078802880 JEFXBQIGAVMEAE-WDEREUQCSA-N 313.361 -0.161 30 20 DBED CCN(C(=O)C#CC1CC1)C1CN(C(=O)[C@@H](C)NC(C)=O)C1 1079737072 VQTQIJUGOWTWQZ-LLVKDONJSA-N 305.378 -0.016 30 20 DBED CCN(C(=O)[C@H]1CNC(=O)N1)C1CN(C(=O)C#CC(C)C)C1 1080385438 USGLJOPHLLGVQA-GFCCVEGCSA-N 306.366 -0.614 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CO)(NC(=O)c2ncccn2)CC1 1080964425 QDJRKHCRDONFCH-NSHDSACASA-N 317.349 -0.280 30 20 DBED N#CCSCC(=O)N1C[C@@H](O)[C@H](CNC(=O)CC2CC2)C1 1081158070 MIEBSDDZLUVJNT-VXGBXAGGSA-N 311.407 -0.021 30 20 DBED CSCC(=O)NC[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1O 1081237776 TYNWWXYCKKWHLW-JQWIXIFHSA-N 322.390 -0.202 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)Cc2cncn2C)C[C@@H]1O 1081336045 SHFPNGWNQHLMHK-OCCSQVGLSA-N 320.393 -0.136 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2cocn2)C1 1081341770 UNSQGTVKGIIBRN-ZYHUDNBSSA-N 309.322 -0.574 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)c2coc(C(N)=O)c2)C1 1083665702 VKRHPDHEDSKKSU-ZJUUUORDSA-N 313.741 -0.094 30 20 DBED C#CCN[C@@H]1CCCC[C@H]1NC(=O)c1cn(C)c(=O)nc1O 1085420670 SEOJADNLGMCGNK-VXGBXAGGSA-N 304.350 -0.250 30 20 DBED CC#CCN1CC[C@H](NC(=O)CN2CC(=O)N(C)C2=O)[C@H]1C 1088977929 UIRWIDITEBUDAE-NEPJUHHUSA-N 306.366 -0.517 30 20 DBED CCN(c1ncccc1C#N)[C@H](C)CNC(=O)Cn1ncnn1 1089694788 UINDBYJEGJMEPL-LLVKDONJSA-N 314.353 -0.029 30 20 DBED C#CCN1CC[C@H](NC(=O)c2ccnn2CCOC)[C@H](O)C1 1090349150 IWQYIIAYPHPGFO-GXTWGEPZSA-N 306.366 -0.672 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cc(CN(C)C)on2)[C@H](O)C1 1090379211 WCVRNHSDPTZEKW-GXTWGEPZSA-N 306.366 -0.466 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2cc(=O)c(OC)c[nH]2)[C@@H](O)C1 1090432452 KNMRXUINICMZPE-MFKMUULPSA-N 305.334 -0.818 30 20 DBED C=CCN1CC[C@H](NC(=O)c2ccc(N(C)C)nn2)[C@H](O)C1 1090735133 UXUAPUJVLDNFJG-WCQYABFASA-N 305.382 -0.106 30 20 DBED CCCOCC(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@@H]1O 1091070728 MCMRTJKMLASXKT-NEPJUHHUSA-N 305.338 -0.559 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(c2nc(C)cc(C)n2)C[C@@H]1O 1091081867 OUDFVSGKPANQNR-OLZOCXBDSA-N 306.366 -0.038 30 20 DBED N#Cc1ccc(NC2CC(CNC(=O)Cn3ncnn3)C2)nc1 1092240651 CHOJREVFMRKKRH-UHFFFAOYSA-N 312.337 -0.053 30 20 DBED N#Cc1nccnc1NCCNC(=O)[C@H]1CCCCS1(=O)=O 1093923137 UEYGBPDYBFDARB-LLVKDONJSA-N 323.378 -0.156 30 20 DBED N#Cc1nc(=NCCNC(=O)CCCCNC(N)=O)cc[nH]1 1093989017 HTXJQXKUHQSGIS-UHFFFAOYSA-N 305.342 -0.863 30 20 DBED N#Cc1nc(=NCCCNC(=O)CC(=O)NCC2CC2)cc[nH]1 1094570471 OPYOZGSUCHTDDP-UHFFFAOYSA-N 316.365 -0.395 30 20 DBED C=C(C)CN1CCN(C(=O)[C@H](C)OC)[C@@H]2CS(=O)(=O)C[C@@H]21 1094609856 OMPZOSGOHUGDRK-RWMBFGLXSA-N 316.423 -0.093 30 20 DBED C#CCN1CCN(C(=O)/C=C/C2CC2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094616240 XTUZZCNNTXGBBV-BUHQSOCUSA-N 308.403 -0.104 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)CC3CCOCC3)CC2=O)C1 1094713862 KFQVGLXSKPTQNJ-AWEZNQCLSA-N 319.405 -0.162 30 20 DBED N#Cc1cnc(N2CCC(CNC(=O)CNC(N)=O)CC2)cn1 1095338632 HIYHSROWOGZWID-UHFFFAOYSA-N 317.353 -0.651 30 20 DBED CCN(CCCNC(=O)CC(N)=O)c1nc(C)cc(C#N)n1 1095859611 GEGUVUJEJUFAJJ-UHFFFAOYSA-N 304.354 -0.135 30 20 DBED CC(=O)NCC(=O)NCCCN(c1ccnc(C#N)n1)C1CC1 1096004349 UOQAEYDHPBJJPK-UHFFFAOYSA-N 316.365 -0.041 30 20 DBED COc1ccnc(N2CCN(CCNC(=O)[C@H](C)C#N)CC2)n1 1096279006 QKYORADDMXZSJA-GFCCVEGCSA-N 318.381 -0.117 30 20 DBED Cn1ncc(C(=O)NC[C@H](N=c2cc[nH]c(C#N)n2)C2CC2)n1 1096692338 XEECADCSYDGEPT-JTQLQIEISA-N 312.337 -0.481 30 20 DBED C[C@H](CC(=O)N1CC[C@H](N=c2cc[nH]cc2C#N)C1)NC(N)=O 1096961226 RVQDDLJFCPNZTP-PWSUYJOCSA-N 316.365 -0.165 30 20 DBED C[C@H](CC(N)=O)C(=O)N1CC[C@H](Nc2nccnc2C#N)C1 1096973373 MBENEFQLFOLQEZ-ZJUUUORDSA-N 302.338 -0.127 30 20 DBED CS(=O)(=O)CCC(=O)N[C@H]1C[C@@H](Nc2cncc(C#N)n2)C1 1097264687 BHUVRJSLLQHKIR-AOOOYVTPSA-N 323.378 -0.158 30 20 DBED COC(=O)NCC(=O)NC[C@H](C)N=c1cc(C)[nH]cc1C#N 1097693287 DXDMHLVUCKJASB-JTQLQIEISA-N 305.338 -0.044 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)NC)nn1 1097997614 KTYJKWVIZJKHFI-WZRBSPASSA-N 318.381 -0.455 30 20 DBED C[C@H](CNC(=O)C[C@H]1CCNC1=O)N=c1cc[nH]c(C#N)n1 1098097628 JMCZLUWVIKRTLT-NXEZZACHSA-N 302.338 -0.787 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCCC(=O)N1)N=c1cc[nH]cc1C#N 1098118308 YANAEDCIVTYHQE-GXFFZTMASA-N 301.350 -0.040 30 20 DBED C[C@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)Nc1nccnc1C#N 1098264898 XYLANOYVJNEZMA-DVVUODLYSA-N 318.337 -0.702 30 20 DBED N#CCN(CCO)C1CCN(C(=O)Cc2cncnc2)CC1 1098354379 AWIDVVBBCPJJTE-UHFFFAOYSA-N 303.366 -0.172 30 20 DBED C[C@H](CCNC(=O)c1ccc(O)nn1)N=c1cc[nH]c(C#N)n1 1098864233 OVJARSUIEDOUIJ-SECBINFHSA-N 313.321 -0.114 30 20 DBED COCC#CCN1C[C@@H]2[C@@H]3CC[C@@H](CN3C(=O)C(N)=O)[C@H]2C1 1099521420 RBTAWCRGXIGREF-CRWXNKLISA-N 305.378 -0.710 30 20 DBED N#CCN1C[C@@H](NC(=O)C2(C(N)=O)CC2)CC2(CCOCC2)C1 1099591392 ZVLJWDOGBULMPQ-LBPRGKRZSA-N 320.393 -0.237 30 20 DBED Cc1nn[nH]c1C(=O)NCC[C@H](C)N=c1cc[nH]c(C#N)n1 1099626502 ZCMJMXNASKNMOK-QMMMGPOBSA-N 300.326 -0.183 30 20 DBED N#CCSCC(=O)N[C@H]1CCN(CCn2cccn2)C[C@@H]1O 1099687024 NXCOSWLSRKDOPA-STQMWFEESA-N 323.422 -0.309 30 20 DBED N#CCNC(=O)CN1CC[C@@H](NC(=O)CC(F)(F)F)[C@@H](O)C1 1099712735 QEZDJUHQVLDPJD-BDAKNGLRSA-N 322.287 -0.870 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)C2(C(N)=O)CC2)[C@@H](O)C1 1099981329 NQVWUOIJMKSZKJ-RYUDHWBXSA-N 311.382 -0.994 30 20 DBED C#CCCN1CC[C@@H](NC(=O)C(C)(C)S(C)(=O)=O)[C@H](O)C1 1100021766 CECSUMPFTWHVCQ-VXGBXAGGSA-N 316.423 -0.616 30 20 DBED C[C@@H]1CN(C)C[C@H](C(=O)NCCN(C)c2ccnc(C#N)n2)O1 1100407279 KOGHHQCJZMDMKM-VXGBXAGGSA-N 318.381 -0.380 30 20 DBED CCN(CCNC(=O)[C@H](C)NC(C)=O)c1cncc(C#N)n1 1100434826 PQOGTJFMVVGTBK-JTQLQIEISA-N 304.354 -0.185 30 20 DBED CCc1nc(C#N)cc(N(CC)CCNC(=O)CC(=O)NC)n1 1100516310 DYBROMBOANALAZ-UHFFFAOYSA-N 318.381 -0.011 30 20 DBED CCN(CCNC(=O)c1cnn(C)n1)c1cncc(C#N)n1 1100563231 YREPHUYGEUKDJD-UHFFFAOYSA-N 300.326 -0.267 30 20 DBED C[C@@]12CN(CC(=O)NCC#N)C[C@@H]1CN(C(=O)c1cn[nH]c1)C2 1101136460 VJYSPCWOZFCYIB-DOMZBBRYSA-N 316.365 -0.557 30 20 DBED C#CCNC(=O)[C@H](C)N1CC2(C[C@H](NC(C)=O)c3nccn32)C1 1101599797 WXOFYBYDDPQZAW-AAEUAGOBSA-N 315.377 -0.387 30 20 DBED CN(CCNc1nccnc1C#N)C(=O)[C@]1(C)CNC(=O)C1 1101877368 VWQNESXKXYVIEQ-AWEZNQCLSA-N 302.338 -0.255 30 20 DBED CN(CCN=c1cc[nH]cc1C#N)C(=O)[C@H]1CCC(=O)N1C 1101914559 KKSANZJLRKJTGG-CYBMUJFWSA-N 301.350 -0.134 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1CNC(=O)CC(C)(C)O 1101923942 QWUBDHVLCAWNQK-VXGBXAGGSA-N 310.398 -0.529 30 20 DBED CC[C@@H](CNC(=O)[C@@H]1CN(C)CCO1)Nc1cncc(C#N)n1 1103032462 JVBDPMKJTRSCTP-AAEUAGOBSA-N 318.381 -0.014 30 20 DBED C[C@H](CNC(=O)Cn1ncnn1)CNc1ncccc1C#N 1104095567 ZGYQORKUNVNHHF-SNVBAGLBSA-N 300.326 -0.196 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(c2ccc(C#N)nn2)CCO1 1104297702 BZBSZBAKFQVINI-CYBMUJFWSA-N 317.349 -0.128 30 20 DBED C[C@@H]1CN(C(=O)CNC(N)=O)CC[C@H]1Nc1ccc(C#N)nn1 1105030698 XQBLOHAGMLOAIH-MWLCHTKSSA-N 317.353 -0.335 30 20 DBED C=CCOCC(=O)NC[C@H](O)CNc1cc(C)nc2ncnn12 1105747375 GOEJFPQTIYAQOF-LLVKDONJSA-N 320.353 -0.476 30 20 DBED N#Cc1cnc(NC[C@@H](O)CNC(=O)Cc2cc[nH]n2)c(F)c1 1105763041 YMPCGAXOERUWLU-NSHDSACASA-N 318.312 -0.053 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H](O)CNC(=O)Cc1ncc[nH]1 1105937201 GNFHUHFJMMXDMZ-LLVKDONJSA-N 300.322 -0.770 30 20 DBED Cc1cc(=NC[C@@H](O)CNC(=O)[C@@]2(C)CCOC2)c(C#N)c[nH]1 1105939037 JEVWNJGJUDBFDG-CJNGLKHVSA-N 318.377 -0.001 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H](O)CNc1cc(COC)ncn1 1105971263 WGRXYTNQTUWRPW-DGCLKSJQSA-N 322.365 -0.450 30 20 DBED N#Cc1nccnc1NC[C@@H](O)CNC(=O)[C@]1(F)CCOC1 1106073811 YTDVFRCMNNGWBM-RNCFNFMXSA-N 309.301 -0.634 30 20 DBED C[C@]1(C(=O)NC[C@@H](O)CNc2ncccc2C#N)CCNC1=O 1106104092 HLOZIUUJQCQRTN-NHYWBVRUSA-N 317.349 -0.632 30 20 DBED C[C@@H](CCN=c1cc[nH]cc1C#N)NC(=O)[C@H]1CCC(=O)N1 1106271182 IHPKTMKGMXRXPL-GXFFZTMASA-N 301.350 -0.040 30 20 DBED CCNC(=O)CCC(=O)NCc1cn(C2CN(CC#N)C2)nn1 1107144078 CLARNOCAGDQQRD-UHFFFAOYSA-N 319.369 -0.809 30 20 DBED C#CCN1CC(n2cc(CNC(=O)Cc3cnc(C)o3)nn2)C1 1107179845 UAUUXRQAPHUTTR-UHFFFAOYSA-N 314.349 -0.077 30 20 DBED CN1C[C@H](C(=O)NC/C=C/CNc2cncc(C#N)n2)NC1=O 1107451887 RPNNKILDOANQPZ-KXMPLOMGSA-N 315.337 -0.544 30 20 DBED C=C(Cl)CN1CCO[C@](C)(CNC(=O)CNC(N)=O)C1 1107723880 DKPFLYBROFVIHH-GFCCVEGCSA-N 304.778 -0.386 30 20 DBED C#CCNC(=O)CN1CCO[C@@](C)(CNC(=O)[C@H](C)C2CC2)C1 1107848120 NODYDCSQYMNDOS-DYVFJYSZSA-N 321.421 -0.011 30 20 DBED CC(C)C#CC(=O)NC[C@]1(C)CN([C@@H]2CCNC2=O)CCO1 1107927427 WNGFXOJAUQOGNE-CZUORRHYSA-N 307.394 -0.259 30 20 DBED C=C(Br)CN1CCO[C@](C)(CNC(=O)C(N)=O)C1 1108177125 OPCPYYISMSTFJX-LLVKDONJSA-N 320.187 -0.413 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)COCc2ncnn2C)C1 1108315552 XRAKVEHWRQJYBS-HNNXBMFYSA-N 321.381 -0.828 30 20 DBED COCC#CCN1CCO[C@](C)(CNC(=O)CN2CCCC2)C1 1108398380 HIZOCLQTGUALNA-QGZVFWFLSA-N 323.437 -0.061 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)COCCN(C)C 1108453914 QNJJATODGGSJPO-NSHDSACASA-N 306.370 -0.735 30 20 DBED C#CCOCCC(=O)N[C@H]1CC(=O)N(C2CN(CCF)C2)C1 1108545772 FROGBJQWXBOBLF-LBPRGKRZSA-N 311.357 -0.603 30 20 DBED C[C@@H](CN(C)c1cnc(C#N)cn1)NC(=O)Cn1cnnc1O 1108944845 JDRBEUFTTQLFTG-VIFPVBQESA-N 316.325 -0.714 30 20 DBED CNC(=O)NCC(=O)N[C@@H](C)CN(C)c1ccnc(C#N)n1 1109288330 WUGXXZUJGLKUQL-VIFPVBQESA-N 305.342 -0.782 30 20 DBED CS(=O)(=O)CC(=O)NCC1(Nc2cncc(C#N)n2)CC1 1110073714 KRLNRAVWEAPLME-UHFFFAOYSA-N 309.351 -0.546 30 20 DBED COC[C@H](OC)C(=O)N(CCO)CCNc1cnc(C#N)cn1 1111556117 SMTCYIBRAVJABV-LBPRGKRZSA-N 323.353 -0.758 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)Cc2cc[nH]n2)CC1 1112738782 OUNTVUFXVGMULB-GFCCVEGCSA-N 303.366 -0.766 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCN(C[C@H]2CCc3ncnn32)CC1 1112846278 KHJXTUDLSFXTOX-UONOGXRCSA-N 317.393 -0.052 30 20 DBED Cn1ncc(C(=O)N2CCN(CC(=O)NCC#N)CC2)c1Cl 1113015960 LTDJMKMJJPKTRC-UHFFFAOYSA-N 324.772 -0.529 30 20 DBED C[C@@H]1CC[C@H](CC(=O)N2CCN(CC(=O)NCC#N)CC2)O1 1113294545 BXQALVAPVFHRLN-CHWSQXEVSA-N 308.382 -0.272 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)[C@@]2(C)CCNC2=O)CC1 1113340876 DGFVMEFBHMZWSA-LRDDRELGSA-N 322.409 -0.653 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)CCCOCC)[C@H]2C1 1113926419 ATFYSUPCMVGBNI-NYTXWWLZSA-N 321.421 -0.013 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@@H]2CN(C[C@@H](CC)OC)C[C@@H]12 1114160492 ZGRFRHPBJQBODP-JHJVBQTASA-N 307.394 -0.403 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)CN(C)C(=O)C3CC3)[C@@H]2C1 1114363655 HUYMPXKVPVNORS-ZIAGYGMSSA-N 319.405 -0.449 30 20 DBED N#CCNC(=O)CN1C[C@H]2C(NC(=O)Cc3ccco3)[C@@H]2C1 1114993810 BBYTZJRCAMDFIX-VXGBXAGGSA-N 302.334 -0.492 30 20 DBED CCCN(C)CC(=O)NC1[C@H]2CN(CC(=O)NCC#N)C[C@H]12 1115149900 JGTUCIZAQMJSFH-RYUDHWBXSA-N 307.398 -0.986 30 20 DBED CCn1nc(C)c(C(=O)NC2[C@H]3CN(CC#CCOC)C[C@H]23)n1 1115351782 AJMPCOUADKXARF-STQMWFEESA-N 317.393 -0.084 30 20 DBED C=CC1CCN(C(=O)C(=O)NCCN2C(=O)CCC2=O)CC1 1117371750 WVYMPBRJFXRYRT-UHFFFAOYSA-N 307.350 -0.324 30 20 DBED C[C@H](NC(=O)C(=O)N1CCO[C@@H](C#N)C1)C(C)(C)CN(C)C 1117440115 LTVWGEICHLBBGQ-RYUDHWBXSA-N 310.398 -0.170 30 20 DBED CC(C)Cn1cc(NC(=O)C(=O)NCC(=O)NCC#N)cn1 1117461069 PUEMHMQTEPQFJH-UHFFFAOYSA-N 306.326 -0.766 30 20 DBED N#CCCn1ccc(NC(=O)C(=O)N2CCCNC(=O)C2)n1 1119096313 SYNOPCOWEUUYGH-UHFFFAOYSA-N 304.310 -0.916 30 20 DBED C=CCn1c(CO)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1121599306 QTEUJKNNUIXPFR-JTQLQIEISA-N 320.353 -0.571 30 20 DBED C#CCOCCC(=O)NC[C@@H](CO)Nc1nc(C)cc(C#N)n1 1122029844 XPDHVTIUSBMGHL-ZDUSSCGKSA-N 317.349 -0.414 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H](CO)Nc1ccc(C#N)cn1 1122035944 KCEABBGDEGSQGN-WCQYABFASA-N 302.334 -0.119 30 20 DBED N#Cc1cncc(N[C@H](CO)CNC(=O)CO[C@@H]2CCOC2)n1 1122070739 NQHBFAOYISRTMV-NWDGAFQWSA-N 321.337 -0.957 30 20 DBED Cc1cc(C#N)nc(N[C@@H](CO)CNC(=O)[C@@H](C)CC(N)=O)n1 1122355558 MGLKVEAGYDZVPP-GZMMTYOYSA-N 320.353 -0.943 30 20 DBED N#Cc1c[nH]ccc1=N[C@H](CO)CNC(=O)c1n[nH]cc1F 1122493605 FXTUCPJLQLVVCH-VIFPVBQESA-N 304.285 -0.560 30 20 DBED CN1CCCC[C@@H]1C(=O)NC[C@H](CO)Nc1cncc(C#N)n1 1122860677 JZBVZDGGXZCDKY-CHWSQXEVSA-N 318.381 -0.278 30 20 DBED N#Cc1cncc(N2CC[C@]3(NC(=O)CC(N)=O)CCC[C@@H]23)n1 1123394495 PSGSMDRORNXYAR-IAQYHMDHSA-N 314.349 -0.159 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)[C@@H](C)COC 1124765287 RSGRSHVCGYRJBQ-QWRGUYRKSA-N 314.386 -0.625 30 20 DBED CN(CCOCCN=c1cc[nH]c(C#N)n1)C(=O)c1cnn[nH]1 1127515023 JXPAXEFWVRLTCF-UHFFFAOYSA-N 316.325 -0.911 30 20 DBED CCNC(=O)CN1CCn2ncc(CNC(=O)[C@H](C)C#N)c2C1 1128265140 UXFTUWCGUKQAAV-LLVKDONJSA-N 318.381 -0.389 30 20 DBED C=C(C)CN[C@@H]1CN(C(=O)[C@H](COC)OC)C[C@@H]1n1ccnn1 1130002864 UHIXZEIBGLMRDF-RDBSUJKOSA-N 323.397 -0.143 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1ccn(CC(F)F)n1 1130008391 MXBUWAHEWNOVGT-UHFFFAOYSA-N 313.308 -0.783 30 20 DBED CC#CCN[C@@H]1CN(C(=O)[C@@H]2CCN(C)C2)C[C@@H]1n1ccnn1 1130123644 XHGHGKPPBMRPMT-KFWWJZLASA-N 316.409 -0.405 30 20 DBED C#CCN1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)CC(N)=O)n1 1130877633 AGDFCZFOFMKQMA-NWDGAFQWSA-N 319.365 -0.581 30 20 DBED C#CCCN1C[C@H]2C[C@H]3CN(C(=O)[C@@H](COC)OC)C[C@@]3(C1)O2 1131264198 LOGVATUYVLTERU-KLZNWCGWSA-N 322.405 -0.027 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](C)O[C@]2(CCN(CC(N)=O)C2)C1 1131662004 RYDMINQKONXRKE-CJNGLKHVSA-N 307.394 -0.177 30 20 DBED C#CCN1C[C@H](NC(=O)C(C)(C)NS(C)(=O)=O)CC[C@@H]1C 1132340753 YLSSCLQTZFKSGY-NWDGAFQWSA-N 315.439 -0.084 30 20 DBED C#CCNC(=O)CNC[C@H]1CN(C(=O)c2cn[nH]c2)CC[C@H]1C 1132658750 KJFRAVNVKWCRKK-OCCSQVGLSA-N 317.393 -0.153 30 20 DBED C[C@@H](C[C@@H](C)NCC(=O)NCC#N)NC(=O)CSCC#N 1133735358 CSZVXHNURWWBGB-MNOVXSKESA-N 311.411 -0.244 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)C[C@@H](C)NCc1cnn(C)n1 1134130010 AZTPUVGXYFUVQO-NEPJUHHUSA-N 320.397 -0.673 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)Cn1cc(Cl)cn1 1134487101 IZUWUXCBNURXNK-JTQLQIEISA-N 311.773 -0.620 30 20 DBED C=CCN1CCCO[C@@H](CNC(=O)CCN2C(=O)CCC2=O)C1 1149952416 BSOBJPMZDWJPDV-ZDUSSCGKSA-N 323.393 -0.081 30 20 DBED N#CCNC(=O)CNCCNC(=O)Cn1ccc2ccccc21 1151476602 LLQZYLBFGYHBMA-UHFFFAOYSA-N 313.361 -0.013 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)[C@H]1CCNC(=O)C1 1152733705 HNKSHIZKTLKWMI-OLZOCXBDSA-N 322.409 -0.911 30 20 DBED CCN(CC#CCOC)[C@H](C)CNC(=O)C[C@@H](C)NC(N)=O 1153320928 UZZLUUIVMAZQBM-CHWSQXEVSA-N 312.414 -0.090 30 20 DBED COCC#CCNCCCNC(=O)c1nnn(C(C)(C)C)n1 1158513789 AMIZGLSOXGMVEJ-UHFFFAOYSA-N 308.386 -0.213 30 20 DBED COCC#CCNCCCNC(=O)c1cccn2nnnc12 1158849766 CJFLBYRWQQWXQA-UHFFFAOYSA-N 302.338 -0.516 30 20 DBED N#CCNC(=O)CN1CC=C(CCNC(=O)c2cnn[nH]2)CC1 1160574090 HRVOUEIGJQQMMK-UHFFFAOYSA-N 317.353 -0.804 30 20 DBED C=CCCNCC1(CCNC(=O)C[C@H](NC(C)=O)C(N)=O)CC1 1167399193 LJBNUYANGRYLDE-ZDUSSCGKSA-N 324.425 -0.181 30 20 DBED CC#CCNCC1(CCNC(=O)CN2CC(=O)NC2=O)CC1 1167468202 DGWVLRATADKMJJ-UHFFFAOYSA-N 306.366 -0.562 30 20 DBED C=C(Cl)CNCCCNC(=O)C1CC2(C1)NC(=O)NC2=O 1168128512 GXFKVEWPKVFXBH-UHFFFAOYSA-N 314.773 -0.177 30 20 DBED C#CCNC(=O)CNCCCNC(=O)C(=O)N1CCC[C@H]1CC 1170468161 RHBYLRJSQHSECE-CYBMUJFWSA-N 322.409 -0.767 30 20 DBED C=CCCC(=O)N1CC[C@@H]2OCCN(CC(=O)NC(N)=O)[C@H]2C1 1176955809 ZOBITUOERARCNS-RYUDHWBXSA-N 324.381 -0.551 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)CCCCNC(N)=O)C[C@@H]21 1177042550 QGYFKTYTUOIDMI-UONOGXRCSA-N 322.409 -0.240 30 20 DBED COCC#CCN[C@H]1CCN(C(=O)[C@@H]2COCCN2C)[C@H]1C 1178488883 KRLSEPOFPSYDTN-KKUMJFAQSA-N 309.410 -0.454 30 20 DBED C[C@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)[C@H]1CC[C@@H](C)O1 1179565600 JDLOQVBXRSKEPW-MROQNXINSA-N 308.382 -0.227 30 20 DBED COCC#CCN[C@H]1CCN(C(=O)CCN2CCOCC2)[C@H]1C 1179719394 FBQXUESLENFCFN-HOTGVXAUSA-N 323.437 -0.063 30 20 DBED C=CCOCC(=O)N1CC[C@@H](NCCCS(C)(=O)=O)C1 1181617742 GRIUDEYSRLAVDB-GFCCVEGCSA-N 304.412 -0.186 30 20 DBED C=CCN1CC[C@@H](N[C@@H]2CCN(C(=O)CC(=O)NC)C2)C1=O 1182179786 SUMJKDIRMSXMKH-VXGBXAGGSA-N 308.382 -0.900 30 20 DBED CC#CCN[C@@H]1CCN(C(=O)CN2CCCCS2(=O)=O)C1 1184309273 CLKZLCAVWNXMJZ-CYBMUJFWSA-N 313.423 -0.374 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2[nH]c(C)nc2C)C1 1185716155 QMPFDUXGHRTJTL-GFCCVEGCSA-N 303.366 -0.420 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2ccnc(C)c2)C1 1186479902 RKWUHOVDJZRAKC-CQSZACIVSA-N 300.362 -0.056 30 20 DBED CO[C@H](C)CC(=O)N1CC[C@H]2CN(CC(=O)NCC#N)C[C@H]21 1187261521 CKHPKXUZSZAGMH-FRRDWIJNSA-N 308.382 -0.416 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@@H]1CCN(C(=O)c2cnn[nH]2)C1 1191120510 VLCIYCGBPLHOOQ-WDEREUQCSA-N 304.354 -0.911 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)C[C@@H](C)N2CCCCC2=O)C1 1192944924 VOHTZNFKDJBRLF-RBSFLKMASA-N 321.421 -0.038 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)C(=O)NCC(F)F)C1 1194316629 VKHIXJUNUYDONY-HTQZYQBOSA-N 311.716 -0.719 30 20 DBED CN(CC#N)[C@H]1CCN(C(=O)CCNC(=O)[C@H]2CCCO2)C1 1194494683 WYRVWRUNAYSVTH-QWHCGFSZSA-N 308.382 -0.272 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C2(CC)CCC2)C1 1195542679 UPZNAPRBEFRMLX-CHWSQXEVSA-N 307.394 -0.523 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)CNC(=O)C(CC)CC)C1 1199611632 RZBMDKVLVXPFGZ-ZIAGYGMSSA-N 309.410 -0.277 30 20 DBED C=CCN(CC=C)C(=O)CNC1CCN(C(=O)CC(N)=O)CC1 1199904369 RADQNJVURGOXJS-UHFFFAOYSA-N 322.409 -0.357 30 20 DBED COCC#CCNC1CCN(C(=O)[C@H]2CCCNC2=O)CC1 1201149846 MVDGQCKLRHXLKL-AWEZNQCLSA-N 307.394 -0.257 30 20 DBED C=CCNC(=O)[C@@H](C)NC1CCN(C(=O)c2[nH]nnc2C)CC1 1201930391 BPRJNYVDKKDSPJ-LLVKDONJSA-N 320.397 -0.002 30 20 DBED CC#CCNCC1CCN(C(=O)Cn2c(O)nnc2O)CC1 1206899986 GQCJPSWNAIBMGO-UHFFFAOYSA-N 307.354 -0.459 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)[C@@H]1CCN(C)[C@@H]1C 1206992695 BLSRMMUNBSPNDS-AAVRWANBSA-N 321.425 -0.597 30 20 DBED CCCN(C)CCC(=O)N1CCC[C@H](NCC(=O)NCC#N)C1 1210773750 OARJICBYDJXKFR-AWEZNQCLSA-N 323.441 -0.061 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1NC(=O)CS(=O)(=O)NC(C)(C)C 1211106023 IDGGETNXQQIRPS-GHMZBOCLSA-N 316.427 -0.336 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)c2cc(OC)no2)C1 1219485991 XWWFYFYILLUIBN-MNOVXSKESA-N 309.322 -0.892 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2ncc(C)o2)C[C@@H]1O 1219605483 TVVLOJBBPMEOBY-XQQFMLRXSA-N 307.350 -0.317 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)[C@H](C)c2cncnc2)C1 1220211937 USKNVTXIUVGSAP-YUELXQCFSA-N 318.377 -0.609 30 20 DBED N#CCN1CC[C@@H]2CN(C(=O)CCCN3C(=O)CCC3=O)[C@@H]2C1 1221591909 QVAIPCDEWYSOFE-CHWSQXEVSA-N 318.377 -0.028 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@@H]2CN(C(=O)c3cnco3)[C@@H]2C1 1221721893 AAUZQSINSITSBZ-JHJVBQTASA-N 316.361 -0.041 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC(NC(=O)Cc2cc[nH]n2)CC1 1226707790 HZGBCLDRIAEFBB-GFCCVEGCSA-N 317.393 -0.329 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC(NC(=O)Cc2cnc[nH]2)CC1 1229362567 ACKZUSBSFMTFOM-LBPRGKRZSA-N 317.393 -0.329 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)c1snnc1C 1230714836 KYOXCWTZYLTLIU-NSHDSACASA-N 321.406 -0.258 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)[C@@H](C)NC(=O)CC 1234490751 RGKIRBDIMZYLHF-OLZOCXBDSA-N 322.409 -0.817 30 20 DBED CN(C[C@@H]1CCN1CC(=O)NCC#N)C(=O)[C@@H](C1CC1)N(C)C 1235336195 OQXILEWLTNMIOF-DZGCQCFKSA-N 321.425 -0.501 30 20 DBED C=CCNC(=O)CNC(=O)C(=O)Nc1c(C)ccn(C)c1=O 1254237779 HXXJJTSNPCNPLU-UHFFFAOYSA-N 306.322 -0.949 30 20 DBED C#C[C@H](NC(=O)NCc1nnc2n1CCOC2)[C@H]1CCCO1 1255680860 BDLOBFQIEHTARN-WDEREUQCSA-N 305.338 -0.212 30 20 DBED C=CCn1cc(CNC(=O)C(=O)NC[C@@H](C)CCOC)nn1 1261448585 ZHGJFCUWZAPWGZ-NSHDSACASA-N 309.370 -0.131 30 20 DBED CC#CC[C@H](CO)NC(=O)[C@@H](C)S(=O)(=O)C1CCOCC1 1261500317 NUDCQNDUNSFEMM-VXGBXAGGSA-N 317.407 -0.141 30 20 DBED C=C(CC)Cn1nnnc1N1CCC(C(=O)NCCO)CC1 1262445284 QXANWFWOFBKCKZ-UHFFFAOYSA-N 308.386 -0.036 30 20 DBED N#CCNC(=O)COC(=O)C(=O)NCCCc1ccccc1 1318507875 RYMWLFHEPQGNKH-UHFFFAOYSA-N 303.318 -0.082 30 20 DBED C=CCN1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 1320050475 GKEYPCXZXBWAIB-LBPRGKRZSA-N 301.412 -0.907 30 20 DBED CN1C(=O)CCc2cc(C(=O)NCC(=O)NCC#N)ccc21 1323521596 HCGZFDRREPMBDR-UHFFFAOYSA-N 300.318 -0.035 30 20 DBED COC[C@H](NC(=O)C(=O)N1CCO[C@H](C#N)C1)[C@@H]1CCCO1 1323878879 VCTYJIGGZXWCFL-WOPDTQHZSA-N 311.338 -0.952 30 20 DBED C=CC(C)(C)CNC(=O)C(=O)Nc1ccc(=O)n(CC(N)=O)c1 1326470804 LAXVSDWOSFODND-UHFFFAOYSA-N 320.349 -0.400 30 20 DBED Cc1ncc(CCNC(=O)C(=O)N2CCO[C@H](C#N)C2)s1 1327080337 HTIQWORDNJKPCA-SNVBAGLBSA-N 308.363 -0.139 30 20 DBED C#C[C@H](NC(=O)C(=O)N(C)CC(=O)N1CCCC1)[C@H]1CCCO1 1328077636 XMZUHFSCECKPKS-QWHCGFSZSA-N 321.377 -0.636 30 20 DBED C#CC1CCN(C(=O)C(=O)N[C@H]2CCC(=O)N(C)C2=O)CC1 1329369800 MNNAQRJPOIGQNX-NSHDSACASA-N 305.334 -0.878 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N[C@H]1CC(=O)N(C2CC2)C1 1330938300 RTAWXHHGOHQBFL-LBPRGKRZSA-N 321.377 -0.636 30 20 DBED C[C@@H](CNC(=O)C(=O)N1CCC[C@H](C#N)C1)CN1CCOCC1 1332670165 RFVCDHPMLCWWBK-UONOGXRCSA-N 322.409 -0.167 30 20 DBED C#CCN(C(=O)C(=O)NC[C@@H]1CC(=O)N(C2CC2)C1)C(C)C 1333875356 YJHRFYBAUCLDKD-LBPRGKRZSA-N 305.378 -0.016 30 20 DBED COC(=O)N1CCC[C@@H](NC(=O)C(=O)N2CCO[C@@H](C#N)C2)C1 1345549934 ZJCLVZDOZILVOQ-MNOVXSKESA-N 324.337 -0.916 30 20 DBED N#C[C@@]1(F)CCN(C(=O)C(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)C1 1346251200 GDPSLNUCIXUNQL-BONVTDFDSA-N 322.340 -0.422 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCc1nnc2n1CCNC2=O 1349235178 QCFWWQFOLPPKJO-JQWIXIFHSA-N 319.365 -0.339 30 20 DBED CN(C)c1ccnc(CNC(=O)C(=O)N2CCO[C@@H](C#N)C2)c1 1354888088 LHGIARQEWOJIRV-ZDUSSCGKSA-N 317.349 -0.485 30 20 DBED COC(=O)[C@H](NC(=O)Cn1cc(C#N)c(O)nc1=O)C(C)C 1361624247 ZYBYJBOIBMYMJT-SNVBAGLBSA-N 308.294 -0.866 30 20 DBED COC(=O)C1(C#N)CCN(C(=O)c2cc(=O)n(C)cn2)CC1 1362811951 NCRKBSCPBCLSFH-UHFFFAOYSA-N 304.306 -0.301 30 20 DBED CC[C@H]1CN(C(=O)CCn2cc(C#N)c(O)nc2=O)C[C@@H]1O 1362812710 PHKQCZUJRWBOBC-ONGXEEELSA-N 306.322 -0.560 30 20 DBED Cn1c(=O)[nH]c(N2CCO[C@H]([C@H]3CCCO3)C2)c(C#N)c1=O 1363149480 RBMRFUHKCINSIY-MNOVXSKESA-N 306.322 -0.671 30 20 DBED COC1CCC(NC(=O)Cn2cc(C#N)c(O)nc2=O)CC1 1363252373 PEXRENOFYVWMJP-UHFFFAOYSA-N 306.322 -0.106 30 20 DBED CN(CCS(N)(=O)=O)S(=O)(=O)Cc1cccc(C#N)c1 1364042123 RLJOBGYMVAHGNH-UHFFFAOYSA-N 317.392 -0.392 30 20 DBED CC(C)CN1CCO[C@@H](CNc2[nH]c(=O)n(C)c(=O)c2C#N)C1 1365209245 UNVFCFNQSQDXMQ-NSHDSACASA-N 321.381 -0.286 30 20 DBED CC(=O)NCC(=O)N1CCC(N(CCO)C(=O)[C@@H](C)C#N)CC1 1371832991 MNLUZFODAUFQTO-NSHDSACASA-N 324.381 -0.906 30 20 DBED CCNC(=O)CN1CCN(CCN(C)C(=O)[C@@H](C)C#N)CC1 1373251880 RHNLWGXIDXHCHC-ZDUSSCGKSA-N 309.414 -0.642 30 20 DBED CCCc1cc(C(=O)NC[C@H](O)CNC(=O)[C@H](C)C#N)no1 1376679181 UNSGZITWGHHYGJ-NXEZZACHSA-N 308.338 -0.006 30 20 DBED CCNC(=O)NC(=O)[C@@H](C)N(CCNC(=O)[C@H](C)C#N)C1CC1 1377517242 JOPINUIHWIWPOY-GHMZBOCLSA-N 323.397 -0.039 30 20 DBED C[C@H](C#N)C(=O)NC1CN(C(=O)Cn2nnc3c2CCCC3)C1 1389398859 BQAZXWWITHKGRZ-SNVBAGLBSA-N 316.365 -0.356 30 20 DBED C[C@@H](C#N)C(=O)NC1CN(CCCS(=O)(=O)N(C)C)C1 1391421340 RJYYISHTMIEGMM-JTQLQIEISA-N 302.400 -0.772 30 20 DBED COC(=O)NCC(=O)N[C@H]1C[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 1407810284 PVOZYUUYQKWABM-MGCOHNPYSA-N 319.321 -0.381 30 20 DBED CC[C@@H](CNC(=O)c1ccc(=O)n(C)n1)NC(=O)[C@H](C)C#N 1409377812 DIZIAQSYHOYTDO-ZJUUUORDSA-N 305.338 -0.435 30 20 DBED C=C(Cl)CN1CCN(CCNC(=O)[C@H](C)CC(N)=O)CC1 1419132984 FLMOGUUVHRYVGV-LLVKDONJSA-N 316.833 -0.016 30 20 DBED C[C@H](CN(C)C(=O)c1ccc(C(N)=O)nc1)NC(=O)[C@H](C)C#N 1425113730 TWRFJSPKCHLPGU-NXEZZACHSA-N 317.349 -0.083 30 20 DBED COC[C@H](OC)C(=O)N1CC(CNC(=O)c2cc(C#N)c[nH]2)C1 1430343880 CGNQRDYERYSCHX-ZDUSSCGKSA-N 320.349 -0.264 30 20 DBED COC(=O)c1ccc(C(=O)Cn2c(=O)[nH]cc(C#N)c2=O)o1 1434454981 VTJYCHIYRFEEOU-UHFFFAOYSA-N 303.230 -0.329 30 20 DBED CNS(=O)(=O)CCC(=O)NCC[C@@H](C)NC(=O)[C@@H](C)C#N 1448518481 JZKZDLGPGVLJID-VHSXEESVSA-N 318.399 -0.904 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C)C(=O)CCS(=O)(=O)N(C)C 1528598005 YFAFAFPHXGJKHX-JTQLQIEISA-N 318.399 -0.998 30 20 DBED C#CCNC[C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCO1 1588353665 AHKHTMICMNZPBQ-SNVBAGLBSA-N 315.337 -0.741 30 20 DBED C#C[C@H](NC(=O)[C@H]1CCCN(CC(=O)O)C1=O)[C@@H]1CCCO1 1588387632 LCTVJMBINOEKQZ-WOPDTQHZSA-N 308.334 -0.393 30 20 DBED C#CC[C@H](NC(=O)Cc1nc(C2CCOCC2)n[nH]1)C(=O)O 1588407578 KHFNAXMPFJANIQ-JTQLQIEISA-N 306.322 -0.166 30 20 DBED C#CCOCCNC(=O)C1(C(=O)O)CCS(=O)(=O)CC1 1588431681 VDNBTEVLUVCLLK-UHFFFAOYSA-N 303.336 -0.968 30 20 DBED C=C[C@H](C(=O)O)N1CCN([C@@H](C)C(=O)NCCCOC)CC1 1588669719 NZELQHAWSPPHDQ-QWHCGFSZSA-N 313.398 -0.216 30 20 DBED C=CCCC[C@@H](NC(=O)[C@H](C)NC(=O)Cn1cnnn1)C(=O)O 1588794127 LZWZFCOFCQZZDW-VHSXEESVSA-N 324.341 -0.897 30 20 DBED C=CCNC(=O)CN1CCN(c2ncncc2C(=O)O)CC1 1588844969 ZSNICQVFXCZIRB-UHFFFAOYSA-N 305.338 -0.401 30 20 DBED O=C(O)[C@@H]1C[C@H]1C(=O)NC1(CCO)CN(C(=O)C#CC2CC2)C1 1601777297 HIRZHKNZWZLRMM-VXGBXAGGSA-N 320.345 -0.800 30 20 DBED COC[C@@H](NC(=O)CCc1c(C)nn(CCC#N)c1C)C(N)=O 1645635420 BBRCCXJTJKHQPN-CYBMUJFWSA-N 321.381 -0.037 30 20 DBED N#Cc1ccc(N2C[C@H](C(=O)NCCC(N)=O)CC2=O)cc1 1649708390 PRQAHXWLPHDZQE-LLVKDONJSA-N 300.318 -0.097 30 20 DBED C#CCNC(=O)CN1CCC[C@@H](NC(=O)c2cnns2)C1 1664978289 JFWPKLHDGRMHIW-SNVBAGLBSA-N 307.379 -0.518 30 20 DBED C#CCNC(=O)CC(=O)N(C)[C@@H](C)CNC(=O)C[C@H]1CCOC1 1725966454 CVUWYVBSGQPYLC-QWHCGFSZSA-N 323.393 -0.484 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H](CN(C)CC(=O)NCC#N)C1 1752503410 JLZWMIVUBOCESJ-OLZOCXBDSA-N 305.382 -0.044 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1C[C@H](NC(=O)c2cnc(C)cn2)C1 1752613595 QIXNJDNKZHYAJQ-JHJVBQTASA-N 315.377 -0.227 30 20 DBED COCC#CCN1CC(CNC(=O)[C@@H]2CCCS2(=O)=O)C1 1753417323 MLNJTZKRKJEEQV-ZDUSSCGKSA-N 314.407 -0.739 30 20 DBED CC(C)[C@@H](CNC(=O)c1cc[n+]([O-])cc1)NCC(=O)NCC#N 1753822490 KCAGUJWSMDEKAX-CYBMUJFWSA-N 319.365 -0.696 30 20 DBED CCC(=O)N1CC[C@H](C(=O)N2CCO[C@@H](CNCC#N)C2)C1 1755011927 DSMZQOSJIBOYMZ-STQMWFEESA-N 308.382 -0.415 30 20 DBED N#CCNC(=O)CN1CCC[C@H](NC(=O)Cc2ncc[nH]2)CC1 1755030582 DQTJBHLQOSKBIC-LBPRGKRZSA-N 318.381 -0.437 30 20 DBED C#CCCCC(=O)NC1(CCO)CN(Cc2ncnn2C)C1 1755331084 CMCWITBAPSPBLI-UHFFFAOYSA-N 305.382 -0.328 30 20 DBED C=C(C)CN1C[C@@H](NC(=O)CNC(=O)CNC(C)=O)C(C)(C)C1 1755411430 BYAOSYIMRWZKJJ-CYBMUJFWSA-N 324.425 -0.359 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(CNC(=O)[C@H](CC)OCC)[C@H]2C1 1755418746 YNLSKKZLFSHFDX-KFWWJZLASA-N 321.421 -0.155 30 20 DBED COCC#CCNC[C@H]1C[C@H](NC(=O)CO[C@H]2CCOC2)C1 1755470892 LIUNMCOHQUCICE-KKUMJFAQSA-N 310.394 -0.074 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H](CO)CNC(=O)c1cccs1 1755621408 NOBKNBWWHSLHSV-MNOVXSKESA-N 309.391 -0.434 30 20 DBED C#CCNC(=O)CN[C@@H]1C[C@@H](C)N(C(=O)CC2OCCCO2)C1 1755672755 CKFAYZKGYOUAPT-CHWSQXEVSA-N 323.393 -0.532 30 20 DBED C#CCNC(=O)CN(C)C[C@@H](O)CN(C)C(=O)[C@@H](C)C1CCC1 1755802163 QMIAYTMOIASAHQ-DZGCQCFKSA-N 323.437 -0.077 30 20 DBED CN(C(=O)[C@@H]1CCCCO1)C1CC(NCC(=O)NCC#N)C1 1755855666 YPJLASGTIJMBMW-BPCQOVAHSA-N 308.382 -0.226 30 20 DBED C=CCC(C)(C)C(=O)N[C@H](CO)CNC(=O)C1(C(N)=O)CC1 1756546468 OAVKTQKZCLRTBW-JTQLQIEISA-N 311.382 -0.553 30 20 DBED C=C[C@@](C)(O)CC(=O)N(C)C[C@@H](O)CNC(=O)c1cccnc1 1756660265 DBYSBRCWDPJNOH-XJKSGUPXSA-N 321.377 -0.042 30 20 DBED CC(C)C#CC(=O)N(C)C[C@@H](O)CN(C)C(=O)c1cnn[nH]1 1756685570 IPJSRCMQTLOIBF-LLVKDONJSA-N 307.354 -0.645 30 20 DBED C#CCCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN 1795527824 HHYXIIFCKJGWKK-YWVIFJGQSA-N 307.394 -0.272 30 20 DBED N#CCCC(=O)N1CC2(CCCN2C(=O)CN2CCOC2=O)C1 1841483475 JKRHINIUIXYJEQ-UHFFFAOYSA-N 320.349 -0.054 30 20 DBED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@H](C)CN)C2 1841599509 UHYHRJDTSOZADN-CHWSQXEVSA-N 307.394 -0.177 30 20 DBED C=CCC(=O)N1CCCC12CN(C(=O)CN1CCNC1=N)C2 1846376147 NWEJETXTUVJQLM-UHFFFAOYSA-N 305.382 -0.394 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(CC(=O)N2CCCCC2)CC1 42536684 AEZANDYXLYDQCV-OAHLLOKOSA-N 320.437 -0.246 30 20 DBED Cc1n[nH]c(S(=O)(=O)N2CCO[C@@H](C#N)C2)c1C(=O)O 93932703 SZCMEOXKHDTKMN-ZETCQYMHSA-N 300.296 -0.671 30 20 DBED C#CCSCCNS(=O)(=O)c1cc(C(N)=O)n(C)c1 151710225 HATFEMPTTYVEIX-UHFFFAOYSA-N 301.393 -0.231 30 20 DBED C/N=C(/NC[C@@H]1CN2CCN1CC2)N[C@@H]1C[C@H](OC)C1(C)C 261855634 TYEPWBYIICFEBQ-MCIONIFRSA-N 309.458 -0.035 30 20 DBED CN(C[C@H](O)CO)C(=O)C(=O)N1CCc2ccc(C#N)cc21 275880377 KZBJUNYKNGCNPB-LBPRGKRZSA-N 303.318 -0.741 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)[C@H]2CC(=O)N(CCOC)C2)C1=O 281470376 UDOGYBJSCYKMPY-QWHCGFSZSA-N 323.393 -0.273 30 20 DBED CN1CCN(CCS(=O)(=O)c2ccc(C#N)cn2)CC1=O 290496546 YAMQGENLDRLPDW-UHFFFAOYSA-N 308.363 -0.499 30 20 DBED C[C@@H](CCO)NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 290606745 VUYIXWNXZHIMJZ-JTQLQIEISA-N 311.363 -0.276 30 20 DBED C[C@H]1[C@@H](NS(=O)(=O)c2ccc(C#N)nc2)CCS1(=O)=O 293026348 PYGAHGGCNVJATM-KWQFWETISA-N 315.376 -0.193 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@@H]1CC(C(N)=O)=NO1 298194101 FDPROMKKLKCQJS-SCVCMEIPSA-N 310.354 -0.103 30 20 DBED N#C[C@H]1CC[C@H](N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)C1 328710513 BRVYMFRGAQFYLL-STQMWFEESA-N 318.377 -0.028 30 20 DBED C[C@@H]1CN(/C(O)=N/[C@@H]2CCCS(=O)(=O)C2)CC(=O)N1C 328725779 UHHYKNJMABVAIW-NXEZZACHSA-N 303.384 -0.360 30 20 DBED Cc1noc([C@H]2CCN(/C(O)=N/CC(=O)N3CCOCC3)C2)n1 329204908 WUUXEECLBRAQKA-NSHDSACASA-N 323.353 -0.060 30 20 DBED CS(=O)(=O)N1CCN(C/C(O)=N/[C@H]2CCCOC2)CC1 329900340 NQQQQZSXAIZWNT-NSHDSACASA-N 305.400 -0.301 30 20 DBED CN(C)C(=O)CN1CCC(N/C(O)=N/CC(F)(F)CO)CC1 330997163 OZKYCVWJVWIMTQ-UHFFFAOYSA-N 322.356 -0.330 30 20 DBED CC(C)OC(=O)[C@H](C)N(C)S(=O)(=O)N1CCO[C@H](C#N)C1 336948075 QBWYYIHUZACOHR-WDEREUQCSA-N 319.383 -0.273 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCO[C@@H](C(=O)OC)C1 337094802 PIGIALDFPBWDTQ-WDEREUQCSA-N 319.383 -0.413 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCC2CCOCC2)C1=O 340392701 GXBONWMLLYEENX-ZDUSSCGKSA-N 323.393 -0.226 30 20 DBED C=CCOC[C@@H]1NC(=O)N(C[C@H]2CN(C3CC3)CCO2)C1=O 349108530 KDJQPPBNFUDWEW-OLZOCXBDSA-N 309.366 -0.027 30 20 DBED C=C(C)CN(C)C(=O)CCS(=O)(=O)NCC(=O)NC(C)C 351552269 QEOGIVZZHHMLHY-UHFFFAOYSA-N 319.427 -0.145 30 20 DBED COc1cccc(OC)c1S(=O)(=O)NCC(=O)NCC#N 352509323 FZQRNZVYXZQXOM-UHFFFAOYSA-N 313.335 -0.378 30 20 DBED Cc1ccc(S(=O)(=O)NCC(=O)NCC#N)cc1N(C)C 352534155 WZOKEHJWBUCVKQ-UHFFFAOYSA-N 310.379 -0.021 30 20 DBED C=CCOCC(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 357289140 AOJNJVMYAPBBCO-UHFFFAOYSA-N 308.338 -0.117 30 20 DBED COC(=O)[C@H](CO)NS(=O)(=O)c1ccc(C#N)cc1OC 361964119 MESCJYXIFGURDM-VIFPVBQESA-N 314.319 -0.621 30 20 DBED COC(=O)[C@@H](O)C1CCN([C@H](C)C(=O)N(C)CCC#N)CC1 441266770 NXENEFJBLZTPIM-YPMHNXCESA-N 311.382 -0.007 30 20 DBED COC(=O)Cn1cc(CNC(=O)c2ccc(C#N)c(C)n2)nn1 441978216 OHQJCOGWOKIJHI-UHFFFAOYSA-N 314.305 -0.044 30 20 DBED C=CCC[C@H](NC(=O)CNS(=O)(=O)CC)C(=O)OCC 456636814 YOLRTNMITJYKIP-JTQLQIEISA-N 306.384 -0.060 30 20 DBED COC(=O)[C@H](CNS(=O)(=O)c1cnc(C)c(C#N)c1)OC 490525577 AOQITWFTVONGJI-NSHDSACASA-N 313.335 -0.272 30 20 DBED C#CCN(CC#N)C(=O)CCNS(=O)(=O)c1cn(C)c(C)n1 490985317 LGXLLEYLVGNUDY-UHFFFAOYSA-N 323.378 -0.618 30 20 DBED C#CCN(C)CCCNS(=O)(=O)c1cnn2c1OCCC2 491451986 IRRAPGDVBQOUPL-UHFFFAOYSA-N 312.395 -0.101 30 20 DBED N#C[C@H]1CN(S(=O)(=O)NCCOC[C@@H]2CCCO2)CCO1 554533816 UARCOVCDHKSVPE-RYUDHWBXSA-N 319.383 -0.759 30 20 DBED CCN(C)CCNC(=O)CNS(=O)(=O)c1cccc(C#N)c1 564690788 CLYZZDGNNCUWHU-UHFFFAOYSA-N 324.406 -0.096 30 20 DBED N#Cc1cc(F)ccc1CS(=O)(=O)NCC[C@H](O)C(=O)O 565056990 AFWHLVHZSZBUCL-NSHDSACASA-N 316.310 -0.048 30 20 DBED C[C@H]1[C@@H](NC(=O)CNc2ccc(C#N)cn2)CCS1(=O)=O 565557343 FCHNYKKZZXQARZ-ONGXEEELSA-N 308.363 0.057 30 20 DBED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CC[C@@H](N)C2)cc1 572762920 KLHYBNOPFIBDOD-LLVKDONJSA-N 308.363 -0.604 30 20 DBED COC(=O)[C@H]1COCCN1S(=O)(=O)CC1(C#N)CCC1 589223153 XYRFJGKNDFFXNM-SNVBAGLBSA-N 302.352 -0.116 30 20 DBED CCN([C@H](C)C#N)S(=O)(=O)CCCS(=O)(=O)N(C)C 595358142 SGTXWEHRRWCYOB-SNVBAGLBSA-N 311.429 -0.168 30 20 DBED Cn1cc(S(=O)(=O)NCC(=O)N2CC[C@@](F)(C#N)C2)cn1 615826612 VSZBUSVKDCRGFV-LLVKDONJSA-N 315.330 -0.837 30 20 DBED CC#CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(F)c(C(N)=O)c1 646954803 ALFNNDXJCSQMFG-JTQLQIEISA-N 321.308 -0.246 30 20 DBED CC#CC[C@H](CO)NC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O 649193193 ZFGLFHDAXDWJJD-ABAIWWIYSA-N 307.350 -0.403 30 20 DBED CS(=O)(=O)N[C@@H]1CCCN(C(=O)[C@@H](N)CCCC#N)C1 691538269 BBRHUNZYVRFHCZ-MNOVXSKESA-N 302.400 -0.452 30 20 DBED NC(=O)CNC(=S)NN=Cc1cccc(-c2nn[nH]n2)c1 737753661 OYQFQQRHAXSOEC-UHFFFAOYSA-N 304.339 -0.850 30 20 DBED CC1(C)C(=O)NCCN1C(=O)CCN/C(O)=C1\N=CC=CC1=O 746215237 LZKGPRQBUULAGA-OUKQBFOZSA-N 320.349 -0.360 30 20 DBED CCN(CCC#N)C(=O)CN1[C@H](C)C(=O)N(C)S1(=O)=O 752910241 VXZFJKLGRTYVEY-SECBINFHSA-N 302.356 -0.844 30 20 DBED C#CCN1CCN(C(=O)[C@@H](CO)NC(=O)OC(C)(C)C)CC1 753821223 XZGLFTSONZUMRJ-GFCCVEGCSA-N 311.382 -0.351 30 20 DBED C=CCN1CC(=O)N(C[C@@H]2CCN(S(C)(=O)=O)C2)C1=O 762251091 DGNBDICSPFHOAL-SNVBAGLBSA-N 301.368 -0.282 30 20 DBED N#CCn1c(C(=O)NS(=O)(=O)CC(N)=O)cc2ccccc21 766923731 QRSPISJDCZYHAI-UHFFFAOYSA-N 320.330 -0.290 30 20 DBED C#CCOCCNC(=O)N1CCN(C(=O)CN2CCCC2)CC1 784548847 JVCACYNOKATBCP-UHFFFAOYSA-N 322.409 -0.414 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@@](C)(O)C2CCC2)CC1 813439512 VSMARYJQJKKUTG-INIZCTEOSA-N 307.394 -0.569 30 20 DBED Cn1cc(N2CC[C@H](NC(=O)[C@](C)(C#N)CC(=O)O)C2=O)cn1 821297636 DTZVYLWNRPZZTB-HZMBPMFUSA-N 319.321 -0.354 30 20 DBED C#CCN1CCN(C(=O)[C@H](C)n2cnc3c(N)ncnc32)CC1 827527099 RZTASXKEHYCXFT-NSHDSACASA-N 313.365 -0.253 30 20 DBED C#CCO[C@@H](C)C(=O)O[C@H](C)C(=O)NCCN1CCOCC1 835394195 CXJXGPYRWZVELR-OLZOCXBDSA-N 312.366 -0.595 30 20 DBED C=CCn1cc(C(=O)NS(=O)(=O)N(C)CCOC)nn1 842734977 JFDRAXLBVJICGV-UHFFFAOYSA-N 303.344 -0.983 30 20 DBED C#C[C@H](C)N(C)C(=O)CS(=O)(=O)CC(=O)N(C)[C@H](C)C#C 847955752 QCKYYJUNMACZLD-TXEJJXNPSA-N 312.391 -0.639 30 20 DBED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2C[C@H](O)C2)cc1 856393152 MHYBQIWHRWZPNV-HAQNSBGRSA-N 308.359 -0.149 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCO[C@H](COCC)C1)[C@H]1CCCO1 875324693 MUFIKHUHKRGHCQ-MELADBBJSA-N 324.377 -0.453 30 20 DBED C#CCNS(=O)(=O)N1CCN(CC2CCN(C)CC2)CC1 895919001 QKGOVEYUMYBCFD-UHFFFAOYSA-N 314.455 -0.587 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@@]2(C)CCNC(=O)C2)CC1 906528302 XMESYDDAXLPPAX-INIZCTEOSA-N 322.409 -0.651 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@H](C)[C@@H]2CCCO2)CC1 906556957 SDEJKNCJHBASPK-KGLIPLIRSA-N 307.394 -0.305 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H](O)C(C)C)C1 938171047 UKCXJKGFKIGMRB-SOUVJXGZSA-N 321.421 -0.182 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)c3ncn(C)n3)C2)cn1 941879926 VVUMOHNRCXDIQX-CYBMUJFWSA-N 324.344 -0.164 30 20 DBED C#Cc1ccccc1CC(=O)N[C@H]1[C@H]2C[C@H]1N(C(=O)C(N)=O)C2 947687852 LBHQFQKGUBQBQY-GUTXKFCHSA-N 311.341 -0.589 30 20 DBED C=CCn1cc(C(=O)N2CC[C@@H]2CNC(=O)[C@@H]2CCOC2)nn1 949041663 FYMSLZHGOCPRFL-VXGBXAGGSA-N 319.365 -0.169 30 20 DBED C=CCn1cc(C(=O)N2CCN([C@@H](C)C(=O)N(C)C)CC2)nn1 951559642 GJLPEIJRFLMUNS-LBPRGKRZSA-N 320.397 -0.301 30 20 DBED C=CCN1CC[C@@H](N2CCN(C(=O)c3cnn(C)n3)CC2)C1=O 951738985 IRBHJPHDECEEOR-CYBMUJFWSA-N 318.381 -0.640 30 20 DBED CCN(C(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1)C1CN(CC#N)C1 951745855 LHPZHULGMFIBRN-QWHCGFSZSA-N 308.382 -0.322 30 20 DBED C[C@@H](C#N)C(=O)N1CC(N(C)C(=O)c2coc(C(N)=O)c2)C1 954812329 NWRGYRRHLQSQGJ-QMMMGPOBSA-N 304.306 -0.179 30 20 DBED C#CCCN1C[C@@H](O)[C@@H](CNC(=O)c2ccc3nncn3c2)C1 958481132 NLHHVGUBGIBTTE-UONOGXRCSA-N 313.361 -0.225 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H]1CN(C)Cc1nc(=O)n(C)[nH]1 960488329 ATZRXEHMRKQQBJ-MNOVXSKESA-N 306.370 -0.309 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CN(C(=O)CC3CC3)C[C@@H]2O)c[nH]1 962387330 APBZDJMMXJXSKX-OLZOCXBDSA-N 302.334 -0.012 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC2(CN(C(=O)CN3CCCC3)C2)C1 965464344 AWZVSVRPHDSGAX-ZDUSSCGKSA-N 320.393 -0.318 30 20 DBED CC#CCN1CC([C@H](C)NC(=O)c2cn(CCOC)nn2)C1 969658484 XIXSRMOHTRQUPW-LBPRGKRZSA-N 305.382 -0.002 30 20 DBED C[C@@H](NC(=O)[C@@H]1CN2CC3CC2(CO1)C3)C1CN(CC#N)C1 970190067 LBGZTCWCDHCEHV-AGBNJFSLSA-N 304.394 -0.190 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)OC)C[C@@H]2O)c1 970409533 RNSHOYRKIHVJOG-GDLCADMTSA-N 317.345 -0.601 30 20 DBED C=CCN1CC[C@H](N(C)[C@H]2CCN(C(=O)c3cnn[nH]3)C2)C1=O 971850256 HJRJCLICCQEYLJ-AAEUAGOBSA-N 318.381 -0.262 30 20 DBED CC#CCN1CCO[C@]2(CCN(C(=O)c3cnnn3C)C2)C1 972363513 AUDUBLHUASXSBG-OAHLLOKOSA-N 303.366 -0.245 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)[C@@H]3CCCCC(=O)N3)C2)C1 972546589 QCYSLWGRBJPKMK-WMLDXEAASA-N 319.405 -0.018 30 20 DBED CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@]2(CN(CC#N)CCO2)C1 972551852 HZNIVNPCHXIWAM-WWGRRREGSA-N 320.393 -0.462 30 20 DBED CN(C[C@@H]1CCN1C(=O)c1cc(C#N)c[nH]1)C(=O)c1cnn[nH]1 977973119 VUTQCMAVFGPZNP-JTQLQIEISA-N 313.321 -0.009 30 20 DBED C#CCCN1C[C@@H]2C(CNC(=O)[C@H]3CCS(=O)(=O)C3)[C@H]2C1 978429511 ZYHYYGVDUVALMR-IACUBPJLSA-N 310.419 -0.262 30 20 DBED C#CCN1C[C@@H]2CC[C@@H](NC(=O)CN3CC(=O)NC3=O)C[C@H]2C1 980189200 AZASXWCFBUPANU-RWMBFGLXSA-N 318.377 -0.612 30 20 DBED C#CCN[C@@H]1CCC[C@@H](NC(=O)c2cnc(O)n(C)c2=O)C1 981269458 ZQVBICIDTUHQSH-GHMZBOCLSA-N 304.350 -0.250 30 20 DBED C#CCN[C@H]1C[C@@H](C)N(C(=O)Cn2nc3n(c2=O)CCCC3)C1 989650024 KDLMWXPPNRGANP-OLZOCXBDSA-N 317.393 -0.407 30 20 DBED O=C(N[C@@H]1CCN(C(=O)C#CC2CC2)C[C@H]1O)c1ccon1 991307579 QKJZRQPKMXDQJX-DGCLKSJQSA-N 303.318 -0.220 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)[C@H]2CCCCS2(=O)=O)C1 993917261 KPXFPBZCZCIJCJ-GXSJLCMTSA-N 313.379 -0.560 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)Cc3nc[nH]n3)C2)nc1 997089485 FIGIFIJWFCPKIO-UHFFFAOYSA-N 310.317 -0.636 30 20 DBED Cn1cc(C(=O)NCc2cn([C@H]3CCN(CC#N)C3)nn2)nn1 999987806 YRJRMLRYTZIOJH-NSHDSACASA-N 315.341 -0.893 30 20 DBED C[C@@H](NC(=O)[C@H]1CCCNC1=O)C1CN(C(=O)C#CC2CC2)C1 1006255489 HJTZXHIVMZFTRZ-RISCZKNCSA-N 317.389 -0.111 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C(=O)[C@H]2CCNC(=O)CC2)CC1 1011680400 SECLUSFUNIAKFW-NWDGAFQWSA-N 306.366 -0.267 30 20 DBED C[C@H](C#N)C(=O)N1CC=C(CNC(=O)[C@@H]2CCN(C)C2=O)CC1 1017650050 JXJHRMMVHWCZDX-YPMHNXCESA-N 318.377 -0.101 30 20 DBED C[C@H]1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)CN1C(=O)C(N)=O 1018068401 DZNDNDSLTUTYBB-WPRPVWTQSA-N 303.322 -0.519 30 20 DBED C#CCN1CCC(C(=O)N2CC[C@H](N[C@@H](CC)C(N)=O)C2)CC1 1019815974 PJLBTAQOWCDTOY-GJZGRUSLSA-N 320.437 -0.214 30 20 DBED C=CCn1cc(C(=O)N2CCO[C@H]3CCN(C(C)=O)C[C@@H]32)nn1 1019819387 OWFKTPNYQSGEEL-KBPBESRZSA-N 319.365 -0.074 30 20 DBED N#Cc1cc(C(=O)N2C[C@@H]3CCN(C(=O)CC(N)=O)[C@@H]3C2)c[nH]1 1021264252 LNVIWKRGXHSVSW-JOYOIKCWSA-N 315.333 -0.565 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2cccn2)C1 1023062797 VBOPKNQVXHQGLY-VXGBXAGGSA-N 306.366 -0.217 30 20 DBED CC#CCN1CC[C@H](CNC(=O)[C@H]2COCCN2C(C)=O)C1 1028994419 SBECNTYDNRMBLN-HUUCEWRRSA-N 307.394 -0.305 30 20 DBED Cn1[nH]c(CN2[C@H]3CC[C@H]2CN(C(=O)C#CC2CC2)C3)nc1=O 1029302627 MCIQRILLNXREKI-STQMWFEESA-N 315.377 -0.303 30 20 DBED C#CCN1[C@H]2CC[C@H]1CN(C(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1)C2 1029472731 SYARSWUOBZLZTR-ZQDZILKHSA-N 319.405 -0.069 30 20 DBED C#CCN1CCC(C(=O)N2C[C@@H]3C[C@H]2CN3[C@H](C)C(N)=O)CC1 1032800542 MJWYTBFTOMRWTF-SNPRPXQTSA-N 318.421 -0.510 30 20 DBED CC#CCN1CCO[C@H](CNC(=O)c2c(C)ncnc2O)C1 1035487013 JBVIUEOIBHVTAX-GFCCVEGCSA-N 304.350 -0.055 30 20 DBED C#CCN1CCO[C@H](CNC(=O)C2CCS(=O)(=O)CC2)C1 1035525703 BLEPLMNGYVYFMT-CYBMUJFWSA-N 314.407 -0.739 30 20 DBED C=CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)CN1CCS(=O)(=O)CC1 1037720824 WTVIPOLZSGKXGF-DYEKYZERSA-N 313.423 -0.908 30 20 DBED C#CCN[C@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C[C@H]1CC 1037947076 PQEYRKUONQLKPR-YPMHNXCESA-N 305.378 -0.111 30 20 DBED C=CCCC(=O)N1CC[C@@](O)(CNC(=O)c2cnnn2C)C1 1039608702 BISTYSNTUPHUTH-CQSZACIVSA-N 307.354 -0.526 30 20 DBED C=CCCC(=O)N1CC[C@@](O)(CNC(=O)CCNC(N)=O)C1 1039697258 JQYNRHJJUIXSQG-CQSZACIVSA-N 312.370 -0.909 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC[C@@](O)(CNC(=O)c2cnon2)C1 1040667981 GQFOTVGWIITYNS-IINYFYTJSA-N 324.337 -0.646 30 20 DBED C[C@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)c2cnnc(O)c2)C1 1040759166 FKCRGZVHRBQUNT-YMTOWFKASA-N 319.321 -0.965 30 20 DBED N#Cc1nccnc1N1C[C@@H](O)[C@H](NC(=O)C2CCOCC2)C1 1040905026 QUECLVOPCPDUPR-CHWSQXEVSA-N 317.349 -0.559 30 20 DBED Cc1cc(C(=O)N[C@@H]2CN(c3cncc(C#N)n3)C[C@H]2O)n[nH]1 1040949431 MVMXWAKFYSGKHZ-VXGBXAGGSA-N 313.321 -0.641 30 20 DBED N#CCN1CC[C@@]2(CCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C2)C1 1041716743 CEAOUZUTAMYLAN-IINYFYTJSA-N 305.338 -0.968 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)c2cncs2)C1 1041743330 QNQNCQBIBGCAQI-UHFFFAOYSA-N 323.374 -0.514 30 20 DBED C=CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)c2cocn2)C1 1042063641 CFTCCAHOTOZRBL-SNVBAGLBSA-N 309.322 -0.431 30 20 DBED CC[C@H](OC)C(=O)N1CC(O)(CNC(=O)c2ccc(C#N)[nH]2)C1 1042608489 DQUAPKYWDPINGI-LBPRGKRZSA-N 320.349 -0.386 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)CCc2ncc[nH]2)C1 1042802207 GBYIUHLGYDPYAU-UHFFFAOYSA-N 318.377 -0.165 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)c2cncnc2)C1 1042936414 HGQKDMTXFPLWRM-UHFFFAOYSA-N 302.334 -0.561 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)[C@@H](C(C)C)N(C)C)C1 1042937780 LDNGHRUAWBZYOF-OAHLLOKOSA-N 323.437 -0.079 30 20 DBED Cc1ccn(CC(=O)N2CC(O)(CNC(=O)C#CC3CC3)C2)n1 1042963702 SLLPOXCYJIQPCT-UHFFFAOYSA-N 316.361 -0.706 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)[C@@H](C)OCC=C)C1 1043041761 KEZSMANLSWMKHA-CHWSQXEVSA-N 324.377 -0.695 30 20 DBED C=CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)c2ccn(C)c2)C1 1043571302 NEZDMORCGNYHDD-GFCCVEGCSA-N 321.377 -0.081 30 20 DBED Cn1cncc1C(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1044289385 TVRIITUIMHVBOH-PWSUYJOCSA-N 313.321 -0.939 30 20 DBED O=C(C#CC1CC1)N1CC(O)(CNC(=O)[C@]2(F)CCOC2)C1 1045137433 GKHCRHKTNOGLRM-HNNXBMFYSA-N 310.325 -0.782 30 20 DBED C=CCCCC(=O)NCC1(O)CN(C(=O)[C@H]2COCCO2)C1 1045451611 XWBFFENNWBIKEJ-GFCCVEGCSA-N 312.366 -0.552 30 20 DBED C=C1CC(C)(C(=O)NCC2(O)CN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)C1 1046311513 DFRRNNOKOLTHRZ-MNOVXSKESA-N 321.377 -0.846 30 20 DBED C[C@]1(NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)CCN(CC#N)C1 1046322758 WSDBSVAWQCWPJW-NHYWBVRUSA-N 316.365 -0.133 30 20 DBED C=CCCC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CCN(C)C2=O)C[C@@H]1O 1048515184 UEUHIBJPIWOICJ-AGIUHOORSA-N 323.393 -0.539 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)C[C@H]1CC(=O)NC1=O)C2 1050775882 ZLEMXXXSMPOCSJ-GFCCVEGCSA-N 303.362 -0.403 30 20 DBED CC(=O)Nc1cccnc1C(=O)NC[C@H]1COCCN1CC#N 1050950032 TYZPJHZLANGHNU-LBPRGKRZSA-N 317.349 -0.006 30 20 DBED C=C(Cl)CN1CCOC[C@@H]1CNC(=O)[C@H]1CNC(=O)N1 1051096559 RMRPRBHQANFXSJ-VHSXEESVSA-N 302.762 -0.763 30 20 DBED N#CCN1CCOC[C@@H]1CNC(=O)c1cn([C@H]2CCOC2)nn1 1051204083 UPZIECMORYJJSL-RYUDHWBXSA-N 320.353 -0.806 30 20 DBED C#CCCN1CCOC[C@H]1CNC(=O)[C@@H]1CCCS1(=O)=O 1051254934 OQRFDXJBCNVQHQ-OLZOCXBDSA-N 314.407 -0.596 30 20 DBED COCc1nn(C)cc1C(=O)N1CCOC2(CN(CC#N)C2)C1 1053316149 NFZBVZXJKICYPK-UHFFFAOYSA-N 319.365 -0.383 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)[C@H]3C[C@@H](C)CC(=O)N3)CO2)C1 1053804865 IMLXOKILEUGBAD-FRRDWIJNSA-N 305.378 -0.506 30 20 DBED C=C(C)CN1CC2(C[C@@H](NC(=O)CN3CC(=O)NC3=O)CO2)C1 1053959184 UCNNXEFSDNSDNL-LLVKDONJSA-N 322.365 -0.926 30 20 DBED C#CCN[C@H]1CN(C(=O)c2coc(S(N)(=O)=O)c2)C[C@H]1C 1054817114 YFYFMPHXAFEQOU-KOLCDFICSA-N 311.363 -0.390 30 20 DBED C=C(C)C[C@@H](C)C(=O)NCCN1CCC(NC(=O)C(N)=O)CC1 1055620672 TVTDJLBWSWXERG-GFCCVEGCSA-N 324.425 -0.229 30 20 DBED N#Cc1ccc(N2CCN(C(=O)[C@H]3CC[C@H]3C(N)=O)CC2)nn1 1055974101 WORBELRECMTFKG-NEPJUHHUSA-N 314.349 -0.492 30 20 DBED N#Cc1nccnc1N1C[C@H]2C(NC(=O)Cc3cnc[nH]3)[C@@H]2C1 1056428618 OIOLDCFTWQQCDA-GHMZBOCLSA-N 309.333 -0.135 30 20 DBED N#Cc1ccc(NC2CC3(CC(NC(=O)C(N)=O)C3)C2)nn1 1056536501 VEDVWSQVOZPSBA-UHFFFAOYSA-N 300.322 -0.327 30 20 DBED CN(c1nccnc1C#N)[C@H]1CCN(C(=O)C(C)(C)C(N)=O)C1 1056977965 STQYMRLZGSIUBC-JTQLQIEISA-N 316.365 -0.103 30 20 DBED C=CCCO[C@H](C)C(=O)N(CCO)CCNC(=O)c1ncc[nH]1 1057144671 WQTDHQRRUPOPQX-GFCCVEGCSA-N 324.381 -0.058 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)CN1CCOCC1 1057379643 KYIQDNFWCLKNAZ-UHFFFAOYSA-N 313.398 -0.778 30 20 DBED Cc1n[nH]cc1C(=O)NCCN(CCO)C(=O)C#CC(C)C 1057525207 LZOMODNMBMBXAC-UHFFFAOYSA-N 306.366 -0.072 30 20 DBED N#Cc1cncc(N[C@H]2CCCN(C(=O)Cn3cnnn3)C2)n1 1057585738 IKPDOKNEXUNAKS-JTQLQIEISA-N 313.325 -0.562 30 20 DBED N#Cc1ccc(N2CC[C@@H](NC(=O)C3=COCCO3)C2)nn1 1058276920 SZMSXDWTZQMNSR-LLVKDONJSA-N 301.306 -0.069 30 20 DBED N#Cc1nccnc1N1CC[C@H](NC(=O)CN2CCCC2=O)C1 1058308426 QCEFBVKMDRUEHA-NSHDSACASA-N 314.349 -0.334 30 20 DBED C#CCCCC(=O)NCC[C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 1060258424 GJOVQTHHIBKPPX-STQMWFEESA-N 320.393 -0.174 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)COCC(F)F 1061854457 ZSQXYLZULVOKQX-VHSXEESVSA-N 319.308 -0.229 30 20 DBED C=CCOCC(=O)N1CCCC[C@@H]1CNC(=O)CNC(N)=O 1062067645 VRFIPONWFXPPEK-LLVKDONJSA-N 312.370 -0.645 30 20 DBED CNC(=O)NCC(=O)N1CCCC[C@@H]1CNC(=O)C#CC1CC1 1062249817 INFMCAWCEFAIST-CYBMUJFWSA-N 320.393 -0.174 30 20 DBED C#CCNC(=O)CC(=O)NC1(CNC(=O)[C@H](C)COC)CCC1 1062699000 ICWSGPGMGFITIN-GFCCVEGCSA-N 323.393 -0.437 30 20 DBED C=CCOCC(=O)NCC1(NC(=O)[C@H]2CCN(C)C2=O)CCC1 1062704665 UCOIYOJAKDBFPT-GFCCVEGCSA-N 323.393 -0.178 30 20 DBED CN(C(=O)Cn1nccn1)[C@@H]1CCN(c2ccnc(C#N)n2)C1 1062984130 QLFACTQSJSEVBU-LLVKDONJSA-N 312.337 -0.323 30 20 DBED CN(C(=O)[C@@H]1CNC(=O)N1)[C@H]1CCN(c2ccc(C#N)nc2)C1 1063025041 NTSNXADRJOUCIV-STQMWFEESA-N 314.349 -0.328 30 20 DBED C#CCOCCC(=O)NCC1(NC(=O)c2nnn(C)n2)CCC1 1063041804 FJBHCXJJIDDALR-UHFFFAOYSA-N 320.353 -0.981 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)CN2CCOCC2)CCC1 1064302200 FSPCAWSQNGJBKX-GFCCVEGCSA-N 308.382 -0.367 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCO[C@H](CNC(=O)CCOC)C1 1065096989 MTHZBBPYJTZRJQ-DOMZBBRYSA-N 314.382 -0.306 30 20 DBED CCC(=O)NCC(=O)NC[C@H]1CN(C(=O)C#CC2CC2)CCO1 1065135001 PWJBGVXBKZFJDH-ZDUSSCGKSA-N 321.377 -0.730 30 20 DBED C[C@]1(NC(=O)[C@@H]2CNC(=O)N2)CCN(c2nccnc2C#N)C1 1065327403 XPVPWVXQRXXJHY-HZMBPMFUSA-N 315.337 -0.885 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)C2(C(N)=O)CC2)CCO1 1065544281 PNNAVRKKUJFATG-LBPRGKRZSA-N 321.377 -0.745 30 20 DBED C=CCCC1(C(=O)N2CCO[C@H](CNC(=O)C(N)=O)C2)CC1 1065580064 VYMOFYSHDFROFV-LLVKDONJSA-N 309.366 -0.438 30 20 DBED N#Cc1cncc(N2CCOC[C@@H]2CNC(=O)[C@@H]2CCCO2)n1 1066457800 SHNISUPDZFUYBV-STQMWFEESA-N 317.349 -0.151 30 20 DBED N#Cc1ccc(NC[C@@H]2CN(C(=O)c3cnon3)CCO2)nn1 1066639767 KVYLELPYDMACMR-SNVBAGLBSA-N 315.293 -0.316 30 20 DBED N#Cc1cncc(NC[C@@H]2CN(C(=O)c3cnon3)CCO2)n1 1066640288 RYGMZYIQEOKYQC-SNVBAGLBSA-N 315.293 -0.316 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)CCCN(C)C(=O)c1nnn(C)n1 1067431863 XVKDCTBQWZJHIX-NSHDSACASA-N 322.369 -0.831 30 20 DBED CN(C(=O)C(N)=O)[C@@H]1CCCN(c2cnc(C#N)cn2)CC1 1067608154 LCVUXXDHAZMOOW-LLVKDONJSA-N 302.338 -0.349 30 20 DBED N#Cc1cccnc1N1C[C@H](O)[C@H](CNC(=O)c2ccnnc2)C1 1067694099 UMPXIXJLAWCTTA-KGLIPLIRSA-N 324.344 -0.030 30 20 DBED C=CCOCC(=O)N1CC2(C1)CN(C(=O)[C@H]1CCCO1)CCO2 1068289328 XVTLOUYPGXZSIN-CYBMUJFWSA-N 324.377 -0.192 30 20 DBED C=CCC(C)(C)C(=O)N1CC2(CN(C(=O)CC(N)=O)CCO2)C1 1068362916 AAXJFEOXWIXDSG-UHFFFAOYSA-N 323.393 -0.096 30 20 DBED C=CCCC(=O)N1CC2(C[C@@H](NC(=O)c3cn(C)nn3)CO2)C1 1068846962 AMGJPPVSCRXSDL-LLVKDONJSA-N 319.365 -0.119 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)CC(=O)N(C)C)CCOCC1 1070120950 NULFXMFIHMHBHK-NSHDSACASA-N 324.381 -0.594 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CCCN(C(=O)c2nc[nH]n2)C1 1071092647 GSOZNOFSWWKXPH-YGRLFVJLSA-N 307.354 -0.147 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1NC(=O)C(C)(C)C(N)=O 1072038589 GXZJDQSAYMBXSH-PWSUYJOCSA-N 305.378 -0.126 30 20 DBED O=C(C#CC1CC1)N1CC2(CCN(Cc3nc(O)n[nH]3)C2)C1 1072721264 KTLJUVYFNMPKGL-UHFFFAOYSA-N 301.350 -0.042 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CN(CCCO)CCCO1 1073639083 AKDMABDTBLYMRU-CVEARBPZSA-N 323.437 -0.327 30 20 DBED C=CCOCC(=O)N1CC[C@@H](NC(=O)c2cn(C)nn2)[C@H](C)C1 1073930314 QNEFOMDVCJDSIP-VXGBXAGGSA-N 321.381 -0.016 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC(O)(CNC(=O)C(F)F)CC1 1074588111 APLORKRGVOPANZ-SNVBAGLBSA-N 318.320 -0.241 30 20 DBED Cc1nn[nH]c1C(=O)N1CCC(O)(CNC(=O)[C@H](C)C#N)CC1 1074658377 KMPHJBKTJSXHKC-SECBINFHSA-N 320.353 -0.644 30 20 DBED CC(=O)N[C@H](C)C(=O)NCC1(O)CCN(C(=O)[C@@H](C)C#N)CC1 1074703381 CVWSXUIYEMXZID-WDEREUQCSA-N 324.381 -0.860 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCC(=O)NC2)C1 1077119513 QPTUHJPEZWNYNW-IJLUTSLNSA-N 315.801 -0.184 30 20 DBED C[C@@H](CCNC(=O)C(=O)NCC(F)F)NC(=O)C#CC1CC1 1077224590 SWFQYLJVBLXYGY-VIFPVBQESA-N 315.320 -0.208 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)c2ccc(OCC(N)=O)cc2)C1 1077341826 KEEFEDUHRKZFRO-ZIAGYGMSSA-N 319.361 -0.488 30 20 DBED CCN(C(=O)C#CC(C)(C)C)C1CN(C(=O)CNC(N)=O)C1 1079742771 LCNCMJJELFAGNL-UHFFFAOYSA-N 308.382 -0.237 30 20 DBED C=CCOCC(=O)N1CCC(CO)(NC(=O)c2cnn[nH]2)CC1 1080909106 LAXYSTRQPGLCAD-UHFFFAOYSA-N 323.353 -0.909 30 20 DBED C#CCOCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CC2CC2)C1 1081171677 FKWCQSABGJJDPT-UONOGXRCSA-N 308.378 -0.238 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2ncoc2C)C1 1081312290 AHZIKRXJTXJEQK-VXGBXAGGSA-N 323.349 -0.265 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)COCCOC)C[C@@H]1O 1081333538 UVNRCCSEYRCISF-OLZOCXBDSA-N 314.382 -0.449 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2cccnc2)C[C@@H]1O 1081344188 NCHVXMGRXTZYDC-KBPBESRZSA-N 319.361 -0.167 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H]1CN(C(=O)C=C(C)C)C[C@H]1O 1081417007 NBGIMRNMTNVNKM-CHWSQXEVSA-N 321.377 -0.972 30 20 DBED C=CCCOCC(=O)NC[C@@H]1CN(C(=O)c2ccon2)C[C@H]1O 1081569354 NHVODVXQWJKCJL-DGCLKSJQSA-N 323.349 -0.184 30 20 DBED C=CCCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2nnn(C)n2)C1 1081655664 HUYZDFQYIRRYOX-WDEREUQCSA-N 322.369 -0.885 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1cnn2ccncc12 1081803691 VVDAVODHRVQBGX-DGCLKSJQSA-N 300.322 -0.318 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1N[C@@H]1CCC(=O)NC1=O 1082504509 AOVPOANPEAQBOI-RAIGVLPGSA-N 303.362 -0.359 30 20 DBED CCO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1CNCc1cnn(C)n1 1087036141 ZULBURVYHZHJHX-YRGRVCCFSA-N 320.397 -0.072 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2cc(=O)c(OC)co2)[C@H](O)C1 1090433130 OVELUIAGYGZTSV-DGCLKSJQSA-N 320.345 -0.163 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(c2ncncc2Cl)C[C@H]1O 1090494343 BSDULRWCDWHFCJ-VXGBXAGGSA-N 324.768 -0.164 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2ccc3nonc3c2)[C@@H](O)C1 1090537702 BQRJPYSLOBQXQE-YPMHNXCESA-N 301.306 -0.089 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2c(C)c[nH]c2CC(N)=O)[C@H](O)C1 1090582495 BKOJBRUXZNQRCK-DGCLKSJQSA-N 318.377 -0.851 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCN(CCCF)C[C@H]2O)nn1 1090635984 AUCHTBXBVKMJEA-DGCLKSJQSA-N 311.361 -0.011 30 20 DBED C=CCCN1CC[C@H](NC(=O)C2CC(=O)NC(=O)C2)[C@H](O)C1 1090636691 BWOJYYUTDFQFJZ-NWDGAFQWSA-N 309.366 -0.833 30 20 DBED C=CCCn1cc(C(=O)N[C@@H]2CCN(CCCO)C[C@H]2O)nn1 1090637632 LJTPERCTDGBOJY-TZMCWYRMSA-N 323.397 -0.598 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2nccn3cc(C)nc23)[C@H](O)C1 1090708795 YIQVOMCVGMBPMB-CHWSQXEVSA-N 313.361 -0.164 30 20 DBED N#Cc1cc(C(=O)NCC2CC(N[C@H]3CCNC3=O)C2)c[nH]1 1090991350 YZVDYEVYVHHTRR-OCTTZUBCSA-N 301.350 -0.127 30 20 DBED CC(C)(O)CC(=O)N[C@@H]1CCN(c2nccnc2C#N)C[C@H]1O 1092147046 ZIQRZBDCKDYVCC-ZYHUDNBSSA-N 319.365 -0.435 30 20 DBED CN(C)CCC(=O)N[C@H]1CCN(c2ccncc2C#N)C[C@H]1O 1092174096 QWVYAWRQEMREMV-DZGCQCFKSA-N 317.393 -0.039 30 20 DBED Cn1cnc(C(=O)N[C@H]2CC3(CN(CC#N)C3)n3ccnc32)n1 1092369113 VTLQMXNRUWQNOE-JTQLQIEISA-N 312.337 -0.579 30 20 DBED N#Cc1ccc(NCCNC(=O)c2cccn3nnnc23)nn1 1093897517 YTZPKRGLDNHGPR-UHFFFAOYSA-N 309.293 -0.372 30 20 DBED N#Cc1c[nH]ccc1=NCCNC(=O)[C@H]1CC[C@@H](C(N)=O)C1 1094142806 ZMKMNQZEBYVSSV-MNOVXSKESA-N 301.350 -0.195 30 20 DBED Cn1nc(C(=O)NCCCNc2nccnc2C#N)ccc1=O 1094422858 QMKVVGUEAXXZRP-UHFFFAOYSA-N 313.321 -0.326 30 20 DBED N#Cc1cncc(NCCCNC(=O)[C@H]2CCCC(=O)N2)n1 1094633361 DSZFLJRZZZIKCT-LLVKDONJSA-N 302.338 -0.065 30 20 DBED N#Cc1ccc(NCCCNC(=O)[C@@H]2CC[C@H]2C(N)=O)nn1 1094704002 UEQHESXEOKQYHW-GHMZBOCLSA-N 302.338 -0.222 30 20 DBED C#CCCN1CC(N2C[C@H](NC(=O)[C@H]3CCCOC3)CC2=O)C1 1094711340 DWKPSMMUCYFKMC-UONOGXRCSA-N 319.405 -0.162 30 20 DBED CC#CCN1CC(N2C[C@H](NC(=O)[C@H]3CCOC3)CC2=O)C1 1094713993 NMJSKAOLIHHJDL-QWHCGFSZSA-N 305.378 -0.553 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)C[C@@H]3CCN(C)C3)CC2=O)C1 1094809958 RTSXSBCLHOBKGK-UONOGXRCSA-N 320.437 -0.085 30 20 DBED C#CCNC(=O)CC(=O)NCCCN(C)c1nccnc1F 1095541234 MPAFLUYCEOCMNC-UHFFFAOYSA-N 307.329 -0.302 30 20 DBED CO[C@H](C)C(=O)NCCN1CCN(c2nccnc2C#N)CC1 1096270614 CPKADUWXPAFVRR-GFCCVEGCSA-N 318.381 -0.379 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CCN(c2ncc(C#N)cc2F)C1 1096352712 ONDDHPZINKUUIX-SNVBAGLBSA-N 305.313 -0.077 30 20 DBED N#Cc1cnc(N2CC[C@H](NC(=O)C(=O)NCC3CC3)C2)cn1 1096417805 UQCYYSQREXYTFT-NSHDSACASA-N 314.349 -0.431 30 20 DBED C[C@H](CNC(=O)C(=O)NCC1CC1)Nc1cnc(C#N)cn1 1098012976 VPMLRKVXMGBCKR-SECBINFHSA-N 302.338 -0.209 30 20 DBED C[C@@H](CCNC(=O)c1cnn(C)n1)N=c1cc[nH]c(C#N)n1 1099303619 KLGBWNWJPCDKDF-VIFPVBQESA-N 300.326 -0.481 30 20 DBED N#CCSCC(=O)N1C[C@H]2CC[C@H]1[C@@H]1CN(CC(N)=O)C[C@@H]21 1099425239 OTOJEIRZQAOGEA-XQHKEYJVSA-N 322.434 -0.103 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)c2coc(C)n2)[C@@H](O)C1 1099792678 XYWYZROTGQWABO-AAEUAGOBSA-N 322.365 -0.550 30 20 DBED Cc1cc(COCC(=O)N[C@H]2CCN(CC#N)C[C@H]2O)no1 1099891054 ZKGFFEYLLGPXIT-QWHCGFSZSA-N 308.338 -0.425 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)C(C)(C)C(=C)C)[C@H](O)C1 1099947674 YZWWWTGMLNQITN-ZIAGYGMSSA-N 321.421 -0.111 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1CCN(CCOCCO)C[C@@H]1O 1099959118 CJZDVCJOLGEWIZ-OLZOCXBDSA-N 300.399 -0.241 30 20 DBED CNC(=O)CCCC(=O)NCCN(C)c1ccc(C#N)nn1 1100039574 XARASRHKCWTSSK-UHFFFAOYSA-N 304.354 -0.183 30 20 DBED CN(CCNC(=O)c1cn(C)c(=O)n1C)c1ccnc(C#N)n1 1100153330 GZYNGRACMUPGFB-UHFFFAOYSA-N 315.337 -0.748 30 20 DBED C=CCCN1C[C@@H](C)[C@H](CNC(=O)CNS(=O)(=O)NC)C1 1102189641 DKNHGHRCEBCXGK-VXGBXAGGSA-N 318.443 -0.700 30 20 DBED CCNC(=O)CC(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(C#N)nn1 1102546645 KROGCKJYVCNHDV-RYUDHWBXSA-N 314.349 -0.336 30 20 DBED CNC(=O)C1(C(=O)NC[C@H](C)CN=c2cc[nH]c(C#N)n2)CC1 1104019060 PPFUSGJBIAFTLJ-SNVBAGLBSA-N 316.365 -0.539 30 20 DBED CN(C)CCC(=O)NC[C@@H]1CN(c2nccnc2C#N)CCO1 1104346780 RAFZVJHAXZATPP-GFCCVEGCSA-N 318.381 -0.379 30 20 DBED CN1CCC[C@@H]1C(=O)N1CC(n2cc(CNCC#N)nn2)C1 1105192424 QFTDJCGVJNDMDA-CYBMUJFWSA-N 303.370 -0.631 30 20 DBED COCCOCC(=O)N(C)CCN(C)c1cnc(C#N)cn1 1105347206 WCBVRUNTGRIUGB-UHFFFAOYSA-N 307.354 -0.094 30 20 DBED COC(=O)c1cnc(NC[C@H](O)CNC(=O)C#CC(C)C)nc1 1105810318 QUBVGZQZDCLGOF-GFCCVEGCSA-N 320.349 -0.188 30 20 DBED Cc1cc(NC[C@@H](O)CNC(=O)C#CC2CC2)nc(CO)n1 1105825492 HAFZGZBVHRWOFI-GFCCVEGCSA-N 304.350 -0.420 30 20 DBED Cn1ccc(C(=O)NC[C@H](O)CNc2nccnc2C#N)n1 1105856017 MCNVSKSTENKQPU-SECBINFHSA-N 301.310 -0.715 30 20 DBED COCC[C@H](C)C(=O)NC[C@@H](O)CNc1nccnc1C#N 1105859834 JJOJLQHAGGRLOB-QWRGUYRKSA-N 307.354 -0.090 30 20 DBED C[C@@H](CC(=O)NC[C@H](O)CNc1ccc(C#N)cn1)NC(N)=O 1105972018 ASDIIZHMMSGMTH-GXSJLCMTSA-N 320.353 -0.711 30 20 DBED C[C@@]1(C(=O)NC[C@H](O)CNc2ccc(C#N)cn2)CNC(=O)C1 1106028804 YITKPNAIJPSPEM-ABAIWWIYSA-N 317.349 -0.632 30 20 DBED Cc1ccc(C#N)c(NC[C@@H](O)CNC(=O)[C@H]2C[C@H]2C(N)=O)n1 1106118828 BGVSXRVMPMOFCE-UTUOFQBUSA-N 317.349 -0.728 30 20 DBED C[C@@H](CCN=c1cc[nH]cc1C#N)NC(=O)[C@@H]1COC(=O)N1 1106313145 IIEKFWKKQWGFMX-CABZTGNLSA-N 303.322 -0.210 30 20 DBED C[C@H](CCNc1cnc(C#N)cn1)NC(=O)[C@@H]1CNC(=O)N1 1106543775 SHOMKMRQWFFUPM-SCZZXKLOSA-N 303.326 -0.664 30 20 DBED CCN(CCN=c1cc[nH]cc1C#N)C(=O)[C@@H]1COCCN1C 1106731724 DFXPGNZQZZGPMX-HNNXBMFYSA-N 317.393 -0.034 30 20 DBED N#Cc1c[nH]ccc1=NC/C=C\CNC(=O)C(=O)NCC(F)F 1107402662 MFKDITGWSLUHMK-UPHRSURJSA-N 323.303 -0.159 30 20 DBED C[C@@]1(C(=O)NC/C=C/CNc2nccnc2C#N)CNC(=O)C1 1107421114 ACJKWBWZWJSKNP-FAAWYNLUSA-N 314.349 -0.041 30 20 DBED Cc1cc(=NC/C=C/CNC(=O)[C@@H]2CCNC2=O)c(C#N)c[nH]1 1107452101 PRXBKGWZSAKHPR-IBUXWKBASA-N 313.361 -0.096 30 20 DBED CN1CC[C@H](C(=O)NC/C=C/CN=c2cc[nH]cc2C#N)C1=O 1107460497 VFTXKVLDOXCQMV-YWVDXFKGSA-N 313.361 -0.062 30 20 DBED CC[C@H](F)C(=O)NC[C@]1(C)CN(CC(=O)NCC#N)CCO1 1108121924 JBRKLZSAKNLKLC-SMDDNHRTSA-N 314.361 -0.419 30 20 DBED Cc1cc(C#N)nc(NC[C@H](C)NC(=O)CN2CCOCC2)n1 1108318907 MULRWLHPOQQUTJ-LBPRGKRZSA-N 318.381 -0.095 30 20 DBED C=CCNC(=O)CN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1nc[nH]n1)C2 1108781456 VSLLKUYJUQWEMO-TUAOUCFPSA-N 318.381 -0.310 30 20 DBED C[C@@H](CN(C)c1nccnc1C#N)NC(=O)C(C)(C)C(N)=O 1109125318 QESFQMBXKXTQEQ-VIFPVBQESA-N 304.354 -0.199 30 20 DBED C[C@H](CN(C)c1nccnc1C#N)NC(=O)[C@]1(C)CNC(=O)C1 1109155190 JEFWDHSONHHXCM-BMIGLBTASA-N 316.365 -0.185 30 20 DBED C=CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CNC(=O)Cn1cncn1 1110147959 AXMULZUIUMFNHE-AGIUHOORSA-N 318.381 -0.698 30 20 DBED C[C@H](C#N)C(=O)N[C@]1(CO)CCCN(c2cncc(C#N)n2)C1 1111342691 DSSXIPLHLBGLOV-IAQYHMDHSA-N 314.349 -0.045 30 20 DBED COC[C@@H](OC)C(=O)N(CCO)CCNc1nccnc1C#N 1111555739 AUMCLECXZVTETJ-GFCCVEGCSA-N 323.353 -0.758 30 20 DBED CO[C@H](C)C(=O)NC[C@@H]1COCCN1c1cncc(C#N)n1 1111658055 VOKPOUCIHVSNRD-ZYHUDNBSSA-N 305.338 -0.295 30 20 DBED CNC(=O)CC(=O)N1CCC[C@H]1CN(C)c1ccc(C#N)nn1 1112790700 NJNISHPOAZYYID-LBPRGKRZSA-N 316.365 -0.088 30 20 DBED CNC(=O)CC(=O)NC1CC(CN=c2cc[nH]cc2C#N)C1 1112830353 KBSBNJTUAJSXDW-UHFFFAOYSA-N 301.350 -0.182 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)C[C@H](C)COC)CC1 1113484324 GCNZXDGUZRGXHJ-UONOGXRCSA-N 309.410 -0.059 30 20 DBED C[C@H](CNC(=O)c1cnnn1C)N(C)c1cnc(C#N)cn1 1113589412 VAXDMERBZREKDI-SECBINFHSA-N 300.326 -0.269 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)c3cc(C)on3)[C@@H]2C1 1113818476 CRCJISWPSACWTF-GHMZBOCLSA-N 302.334 -0.608 30 20 DBED C=CCOCCN1C[C@H]2[C@H](NC(=O)c3nnn(C)c3C)[C@H]2C1 1114091458 XGBUUIUQXFPYOZ-IMRBUKKESA-N 305.382 -0.014 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@@H]3CCCCO3)[C@H]2C1 1114141863 WSYSERLUMZIWMR-SFDCQRBFSA-N 307.394 -0.096 30 20 DBED CC[C@@H](C)OCC(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1114152854 FOQCKRICNMFOKM-FJJYHAOUSA-N 308.382 -0.512 30 20 DBED C#CCCCC(=O)NC1[C@@H]2CN(CCN3CCNC3=O)C[C@@H]12 1114199649 YJIBGTZKLHCCQA-CHWSQXEVSA-N 304.394 -0.139 30 20 DBED N#Cc1nccc(N2C[C@H]3CC[C@H]2CN3C(=O)CNC(N)=O)n1 1114380777 OMWVJLXHSBEMJT-VHSXEESVSA-N 315.337 -0.804 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@H](CCC)OC)[C@H]2C1 1114665607 LAZSLSAIBRYQKG-SFDCQRBFSA-N 307.394 -0.403 30 20 DBED C#CCCN1C[C@H]2C(NC(=O)COCc3ncnn3C)[C@@H]2C1 1115055800 NREBEXGJIYTNFZ-VXGBXAGGSA-N 303.366 -0.599 30 20 DBED C[C@H](CCCN=c1cc[nH]c(C#N)n1)NC(=O)C1(C(N)=O)CC1 1115062060 LELNTDAIGBCILS-SNVBAGLBSA-N 316.365 -0.268 30 20 DBED C=CC[C@@H](CC)NC(=O)C(=O)N1CCO[C@@H](CNC(C)=O)C1 1117348465 JAKZWWGSTGLCHM-OLZOCXBDSA-N 311.382 -0.179 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)CNC(=O)C2CC2)cn1 1121099868 MBTYJRNWGDDGAG-ZDUSSCGKSA-N 317.349 -0.632 30 20 DBED N#Cc1nc(=N[C@@H](CO)CNC(=O)/C=C/c2ccco2)cc[nH]1 1121129599 VKKNBXRUUNPAFY-PGLGOXFNSA-N 313.317 -0.034 30 20 DBED CNC(=O)C1(C(=O)NC[C@H](CO)Nc2ncccc2C#N)CC1 1121757262 QQEDGVDRSVSPHK-LLVKDONJSA-N 317.349 -0.632 30 20 DBED CN(C)CCCCC(=O)NC[C@H](CO)N=c1cc[nH]cc1C#N 1121846759 AZNBGXYKEQRUKO-CQSZACIVSA-N 319.409 -0.004 30 20 DBED COCCO[C@H](C)C(=O)NC[C@H](CO)Nc1nccnc1C#N 1122012882 OOODRGQDEDHDPQ-GHMZBOCLSA-N 323.353 -0.711 30 20 DBED CC#CCCCC(=O)NC[C@@H](CO)Nc1ccc2nnnn2n1 1122371604 DLDBCJWTPXZHES-NSHDSACASA-N 317.353 -0.398 30 20 DBED Cc1ncc(C(=O)NC[C@H](CO)Nc2cnc(C#N)cn2)n1C 1122405169 IYJWKJSJDNJOLU-LLVKDONJSA-N 315.337 -0.407 30 20 DBED COC[C@@H](OC)C(=O)NC[C@@H](CO)Nc1ncccc1C#N 1122466052 KYDPEWOWGCGUPT-NWDGAFQWSA-N 308.338 -0.496 30 20 DBED CC[C@@H](NC(C)=O)C(=O)NC[C@H](CO)Nc1ncccc1C#N 1122644937 QXYCZFIYPQSVKK-CHWSQXEVSA-N 319.365 -0.243 30 20 DBED CN1C[C@@H](C(=O)NC[C@@H](CO)Nc2ccc(C#N)nc2)CC1=O 1122718155 LYSJTKCIOOVWCA-GWCFXTLKSA-N 317.349 -0.679 30 20 DBED CN(C[C@@H](O)CNc1ncccc1C#N)C(=O)C1(C(N)=O)CC1 1124698842 KIAQWTVISZOPMS-NSHDSACASA-N 317.349 -0.550 30 20 DBED C=C(Br)CNCCNC(=O)[C@@H]1COCCN1C 1125957018 RUNIWLGJWQAWJA-JTQLQIEISA-N 306.204 -0.069 30 20 DBED CC[C@H](C(N)=O)N1CCn2ncc(CNC(=O)[C@@H](C)C#N)c2C1 1128264677 PGVGKBAZIJUEMY-CMPLNLGQSA-N 318.381 -0.262 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCNCc1cnnn1CC 1129771247 UFSYIWVIGBIXDA-AWEZNQCLSA-N 304.398 -0.399 30 20 DBED N#CCNC(=O)CNCCNC(=O)Cc1ccc2n[nH]cc2c1 1131252879 FDNOFEXVTDZVSV-UHFFFAOYSA-N 314.349 -0.549 30 20 DBED C#CCCCC(=O)N1CCC(=O)NCCN([C@@H](C)C(N)=O)CC1 1131357036 DSKIOYHMTGASFE-ZDUSSCGKSA-N 322.409 -0.686 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)CCCCc1cnn[nH]1 1131780816 XEXJSHHFAYISEU-GFCCVEGCSA-N 322.413 -0.086 30 20 DBED C#Cc1ccc(C(=O)NCCNCC(=O)N2CCOCC2)cc1 1132215731 HSGPZZCBWUSRDQ-UHFFFAOYSA-N 315.373 -0.154 30 20 DBED C[C@H]1CC[C@H](NC(=O)Cc2cnc[nH]2)CN1CC(=O)NCC#N 1132321950 MLJVAWHOOAEOHZ-RYUDHWBXSA-N 318.381 -0.439 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)C[C@H](C)NCCn1cccn1 1134130804 MQTVCAXJKHBVQE-UONOGXRCSA-N 319.409 -0.105 30 20 DBED C=CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)CCn1ccnn1 1134193679 OXIUKNIIXADXGZ-OLZOCXBDSA-N 322.413 -0.157 30 20 DBED C=CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)C1CN(C(C)=O)C1 1134240617 TWICVRYAEBWWMN-NWDGAFQWSA-N 324.425 -0.360 30 20 DBED C#CCCN[C@H](C)C[C@H](C)NC(=O)CN1C(=O)C(=O)N(C)C1=O 1135593621 SBYPXUKSMWOCAW-MNOVXSKESA-N 322.365 -0.697 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)COCCCOC 1147064148 JNEIYBSLXNXVGJ-LBPRGKRZSA-N 301.387 -0.564 30 20 DBED COCC#CCN1CCCO[C@@H](CNC(=O)c2cn(C)nn2)C1 1149661006 WQJIODRRZMAQRK-ZDUSSCGKSA-N 321.381 -0.714 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)CCN2CCCC2=O)C1 1150737122 DWCINEHOFFVONN-AWEZNQCLSA-N 307.394 -0.161 30 20 DBED COc1ccccc1OCC(=O)NCCNCC(=O)NCC#N 1150897332 STVHSIUAWQLFEV-UHFFFAOYSA-N 320.349 -0.580 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@@H](C)N1CCCCC1=O 1152169792 MVVRVINNONKVMK-QWHCGFSZSA-N 322.409 -0.769 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)NCCCNC(=O)c1ccon1 1155153524 WMEFOGXOYAYFEI-SNVBAGLBSA-N 323.353 -0.216 30 20 DBED C=CCCC(=O)NCCCNCc1nc(CC(=O)NC)no1 1155593256 DWWISHOZAYASGS-UHFFFAOYSA-N 309.370 -0.080 30 20 DBED C#CCCN(CC)[C@H](C)CNC(=O)CN1CC(=O)N(C)C1=O 1156354432 SRXQSFXDKKWFHG-GFCCVEGCSA-N 308.382 -0.270 30 20 DBED C#CCNC(=O)CC(=O)NCCCNCC(=O)NC(C)(C)C 1156852654 IVQTUGCTNCTUEH-UHFFFAOYSA-N 310.398 -0.864 30 20 DBED C#CCOCCC(=O)NCCCN[C@@H]1CCN(CC=C)C1=O 1157846330 RDOQEJUXKLSEFX-CQSZACIVSA-N 307.394 -0.091 30 20 DBED CC#CCNCCCNC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 1158036461 CTPJIHXUGZFJIF-GFCCVEGCSA-N 303.366 -0.118 30 20 DBED Cn1cnn(CCC(=O)NCCC2=CCN(CC#N)CC2)c1=O 1160787124 IIZIASYUGROMAN-UHFFFAOYSA-N 318.381 -0.366 30 20 DBED COCC1(CNC(=O)c2cnn(C)c2N)CCN(CC#N)CC1 1162218874 KAYNLDBVQXBBTH-UHFFFAOYSA-N 320.397 -0.016 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@@H](C)[C@@H]1CCC(=O)N1 1167077034 FXIZWHABDJOFNU-RYUDHWBXSA-N 310.398 -0.701 30 20 DBED COCC#CCN1CCO[C@H]2CCN(C(=O)c3ncc[nH]3)C[C@@H]21 1177000553 QZGAEDODUZKERS-KBPBESRZSA-N 318.377 -0.025 30 20 DBED CC#CCNCCCCCCNC(=O)C[C@@H]1NC(=O)NC1=O 1178719694 PIWIXNWXQSFDBW-LBPRGKRZSA-N 308.382 -0.126 30 20 DBED N#CCNC(=O)CNCCCCCCNC(=O)Cn1cncn1 1180220159 OGZXKZIFCAFYQX-UHFFFAOYSA-N 321.385 -0.816 30 20 DBED COCCCNC(=O)CN(C)[C@@H]1CCN(C(=O)[C@@H](C)C#N)C1 1189391137 VYBSFEISTDMOEP-QWHCGFSZSA-N 310.398 -0.169 30 20 DBED C#CCOCCC(=O)N1CC[C@H](N(C)Cc2nnnn2C)C1 1190120683 KWENBMCQUXRUPF-LBPRGKRZSA-N 306.370 -0.717 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(Cc2cc(C)n(C)n2)C[C@H]1O 1191771888 UIYRSBREAHIELE-ZIAGYGMSSA-N 308.382 -0.408 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2oc(C)cc2C)C1 1192096848 MTXLPERWATXTAM-CHWSQXEVSA-N 321.377 -0.026 30 20 DBED C=CCCCN1C[C@@H](O)[C@H](NC(=O)[C@H](C)S(C)(=O)=O)C1 1194168405 QZAFVIOYMOTJRF-QJPTWQEYSA-N 304.412 -0.453 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)COCc2nnc(C)s2)C1 1194450853 INAVIJAVDPXSLY-GHMZBOCLSA-N 312.395 -0.290 30 20 DBED CC#CCCCC(=O)N[C@@H]1CN([C@H]2CCCN(C)C2=O)C[C@H]1O 1195467261 MBXWMIGBTNAAJR-QLFBSQMISA-N 321.421 -0.038 30 20 DBED C[C@H]1C[C@@H](C(=O)N2CCCN(CC(=O)NCC#N)CC2)CO1 1196340507 HTKLVQJLEZPXON-QWHCGFSZSA-N 308.382 -0.415 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)[C@]2(C)CCNC2=O)CCCO1 1201396596 ZSYQFSDABPTVQS-CZUORRHYSA-N 307.394 -0.257 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)[C@H](OC)C(C)C)[C@H](C)C1 1208504718 RYBIJPJDBRSLHU-UMVBOHGHSA-N 309.410 -0.157 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1C 1211425285 KDFARRKSUHVEEO-GMTAPVOTSA-N 312.370 -0.791 30 20 DBED CO[C@@H]1CN([C@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)C#CC(C)C 1212241820 ZUEDAUQIDHOYPD-FRRDWIJNSA-N 321.377 -0.734 30 20 DBED C#CCCN1C[C@@H](NC(=O)CNC(=O)c2ccoc2)[C@H](OC)C1 1212313257 KYVVFJCTOWACSY-ZIAGYGMSSA-N 319.361 -0.152 30 20 DBED CCC[C@H](OC)C(=O)N1C[C@@H](NCC(=O)NCC#N)[C@H](C)C1 1215300746 DQZDRIKVGCXSOJ-UPJWGTAASA-N 310.398 -0.122 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)c2ccnc(F)c2)C1 1219316448 NFTDYHUMYVPADQ-OLZOCXBDSA-N 307.325 -0.355 30 20 DBED COCCc1nc(CN2C[C@H](O)[C@H](NC(=O)[C@H](C)C#N)C2)no1 1219381605 XFVUQPUZHANEKH-MXWKQRLJSA-N 323.353 -0.921 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2ccnc(C)c2)C1 1220581099 IDJVOTSCBBWHJW-KGLIPLIRSA-N 318.377 -0.533 30 20 DBED CN1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCC#N 1225377583 BGPULBCMTCQRTR-MCIONIFRSA-N 321.425 -0.263 30 20 DBED N#Cc1ccc(C(=O)NC2CCN(CC(=O)NC(N)=O)CC2)[nH]1 1226893163 QYBHWXZVMFGULZ-UHFFFAOYSA-N 318.337 -0.725 30 20 DBED CNC(=O)CCCC(=O)N(C)C[C@H]1CCN1CC(=O)NCC#N 1233836372 CVGLJFGIEQTIIX-GFCCVEGCSA-N 323.397 -0.925 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@H]1CN(C)C(=O)CC1(O)CCC1 1234172007 UQQMKHZKSCCGIM-KBPBESRZSA-N 321.421 -0.038 30 20 DBED COCCO[C@H]1CCN(C(=O)C(=O)Nc2cnn(CC#N)c2)C1 1320665604 FPHVAZNLLJPEEZ-LBPRGKRZSA-N 321.337 -0.391 30 20 DBED C=CCN(C(=O)[C@H]1CCC(=O)NC1)[C@@H]1CCS(=O)(=O)C1 1321960857 QBSMWLZNMHYYNS-WDEREUQCSA-N 300.380 -0.286 30 20 DBED C=C[C@@H]1CCCCN1C(=O)C(=O)NCCNS(C)(=O)=O 1322541485 VAUZEMMOQSFVME-SNVBAGLBSA-N 303.384 -0.781 30 20 DBED CCS(=O)(=O)C[C@H](C)NC(=O)C(=O)N1CCC(C#N)CC1 1323496627 YNJFHBXBKVTAEJ-JTQLQIEISA-N 315.395 -0.312 30 20 DBED C=CCSCCNC(=O)C(=O)N1CCN2C(=O)NC[C@@H]2C1 1323606557 CIIFHDMIBPEXSF-SNVBAGLBSA-N 312.395 -0.742 30 20 DBED N#CCN1CCC(NC(=O)C(=O)N[C@H]2CCC[C@H]2CCO)CC1 1324437372 ZFHQYZMXQCFRPD-JSGCOSHPSA-N 322.409 -0.242 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@@H](C)COCCOC)[C@@H]1CCCO1 1326965763 NXVLXUJQBRFNLH-AVGNSLFASA-N 312.366 -0.549 30 20 DBED Cc1cnn(-c2c(C(=O)NCC(=O)NCC#N)c(C)nn2C)c1 1328648818 GDNVMMJWJIDJQT-UHFFFAOYSA-N 315.337 -0.408 30 20 DBED Cc1cc(NC(=O)CN2CC(=O)N(C)C2=O)nn1CCC#N 1329627768 DJHXYYSUYNGCAD-UHFFFAOYSA-N 304.310 -0.062 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N1CC[C@@](O)(C2CC2)C1 1330430847 RFCOAIDTKOEAHU-CJNGLKHVSA-N 308.378 -0.096 30 20 DBED C#CCOCCNC(=O)C(=O)Nc1ccccc1CC(=O)NC 1342244876 POQBJKIJOJGONJ-UHFFFAOYSA-N 317.345 -0.320 30 20 DBED C#CCNC(=O)C1CCN(c2nnnn2CCCOC)CC1 1343480597 LIVIEFSITTYVFG-UHFFFAOYSA-N 306.370 -0.325 30 20 DBED C=C(C)Cn1c(CO)nnc1N(C)CC(=O)N1CCOCC1 1343602493 JOBARNVPGJXPRT-UHFFFAOYSA-N 309.370 -0.359 30 20 DBED N#Cc1cccc(NC(=O)C(=O)NCCN2C(=O)CCC2=O)n1 1345813523 VXDSWBKSGAALCN-UHFFFAOYSA-N 315.289 -0.843 30 20 DBED N#Cc1cn(CC(=O)NC[C@@H]2CCC[C@@H](O)C2)c(=O)nc1O 1362333601 RPKQESYAUBWNJR-MWLCHTKSSA-N 306.322 -0.512 30 20 DBED COC(=O)[C@H](c1cccc(C#N)c1)N(C)CCS(N)(=O)=O 1364491859 XLUXKNJAURFCEX-LBPRGKRZSA-N 311.363 -0.007 30 20 DBED N#Cc1cccc(C(=O)NCCc2nnc3n2CCNC3=O)c1 1364820609 CEFRNJBAYMGLRM-UHFFFAOYSA-N 310.317 -0.134 30 20 DBED N#Cc1ncn(CCNC(=O)N[C@@H]2C[C@H]3CCCCN3C2=O)n1 1365385696 XBCBOMTYHAZOME-GHMZBOCLSA-N 317.353 -0.398 30 20 DBED N#Cc1cc(NC(=O)N(CCO)[C@@H]2CCS(=O)(=O)C2)ccn1 1365517701 QPDBSPCKVILYNG-GFCCVEGCSA-N 324.362 -0.033 30 20 DBED COC(=O)NCC(=O)N1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 1371972892 VYIWETZLXZNKPO-UHFFFAOYSA-N 319.321 -0.473 30 20 DBED C[C@H](C#N)C(=O)N(CCNC(=O)[C@H]1CCC(=O)N1C)C1CC1 1374296507 IMRLBHVZJRHNLX-ZYHUDNBSSA-N 306.366 -0.126 30 20 DBED C=C(Cl)CN1CC(O)(CNC(=O)[C@@H]2CCNC(=O)C2)C1 1376161488 TWCKREHGEQBRKP-SNVBAGLBSA-N 301.774 -0.572 30 20 DBED C[C@H](CC(N)=O)C(=O)NC[C@H](O)CNCc1ccc(C#N)cc1 1379234608 XZGICCSIVGPGGF-BXUZGUMPSA-N 318.377 -0.364 30 20 DBED C[C@H](NC(=O)CCn1cnnn1)C1CN(C(=O)[C@H](C)C#N)C1 1383311709 JLQCDCLHLLUGEW-ZJUUUORDSA-N 305.342 -0.814 30 20 DBED CC(=O)N(C)CC(=O)N1CCC2(C1)CN(C(=O)[C@@H](C)C#N)C2 1383611745 ADEHCEYCQGUUEH-NSHDSACASA-N 306.366 -0.315 30 20 DBED C[C@H](C#N)C(=O)NCC1CN(C(=O)[C@@H]2CCCS2(=O)=O)C1 1387930704 SORKBYKPQZYYOL-KOLCDFICSA-N 313.379 -0.702 30 20 DBED C[C@H](CNC(=O)c1c[nH]c(C#N)c1)CNC(=O)[C@H]1COCCO1 1388404501 NBIGKJBIGBUYPB-ZWNOBZJWSA-N 320.349 -0.216 30 20 DBED COCC1(C(=O)NCCN2CCN(C(=O)[C@H](C)C#N)CC2)CC1 1407441442 FWGPALYHZXWPMM-CYBMUJFWSA-N 322.409 -0.167 30 20 DBED COc1cc(OC)nc(C(=O)NCCN(C)C(=O)[C@@H](C)C#N)n1 1408617290 NNKDUCCFUUTAOK-VIFPVBQESA-N 321.337 -0.158 30 20 DBED N#Cc1ccc(CN2CC[C@H]2CNC(=O)Cn2ncnn2)cc1 1420830380 FHWJXHXYHURKAE-AWEZNQCLSA-N 311.349 -0.065 30 20 DBED N#Cc1cccc(CNC[C@@H](O)CNC(=O)Cc2nc[nH]n2)c1 1422399187 MLPVZVOWGAXQMS-CYBMUJFWSA-N 314.349 -0.514 30 20 DBED C[C@@H](CNC(=O)[C@@H](C)C#N)NC(=O)C(C)(C)N1CCOCC1 1428789281 YWHZINIDEKMQIV-RYUDHWBXSA-N 310.398 -0.122 30 20 DBED CC(C)n1cc(C(=O)NC[C@@H](O)CNC(=O)[C@H](C)C#N)cn1 1431562120 GVYQSOUEWUDMAK-PWSUYJOCSA-N 307.354 -0.169 30 20 DBED C[C@H](C#N)C(=O)NCC1CN(C(=O)c2cccn3nnnc23)C1 1432475791 IPLWYRLQCOMPLC-SECBINFHSA-N 313.321 -0.528 30 20 DBED C=C(Cl)CN[C@H]1C[C@H](NC(=O)CNS(=O)(=O)N(C)C)C1 1441412342 ANXSTLPNEGQTDR-MGCOHNPYSA-N 324.834 -0.628 30 20 DBED CN(C[C@H](O)CNCc1cnns1)C(=O)c1cc(C#N)c[nH]1 1441956245 DNZDKXSUUMTEFS-SNVBAGLBSA-N 320.378 -0.039 30 20 DBED CCC(=O)N[C@H](C)C(=O)NCCN(C)C(=O)c1c[nH]c(C#N)c1 1448932154 PEGRCLVJXLJWLT-SNVBAGLBSA-N 319.365 -0.011 30 20 DBED C=C(Cl)CNC[C@@H](O)CN(C)C(=O)Cc1n[nH]c(C)n1 1449133378 XQCSDJWAWOFGBM-SNVBAGLBSA-N 301.778 -0.183 30 20 DBED C[C@@H](CNC(=O)c1ccc(C#N)[nH]1)NC(=O)c1cnn(C)n1 1458475032 WRSVSWPITMRVDR-QMMMGPOBSA-N 301.310 -0.437 30 20 DBED C[C@H]1CCCN(C(=O)Cn2cc(C#N)c(O)nc2=O)[C@@H]1CCO 1469918563 VPATZRJOMBILPW-CMPLNLGQSA-N 320.349 -0.170 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1c[nH]c2ncccc12 1533269002 OWFPIIASNALREM-VHSXEESVSA-N 315.333 -0.071 30 20 DBED C#C[C@@H]1COCCN1C(=O)c1ccnc(N2CCNCC2)c1 1574504185 CXSFFZNYXSWRRL-CQSZACIVSA-N 300.362 -0.035 30 20 DBED C#CCN(C)c1nnc(CN2CCCC2=O)n1CC1CNC1 1574614836 LSNDXYNMGGXSKV-UHFFFAOYSA-N 302.382 -0.311 30 20 DBED CNS(=O)(=O)C1CCN(C(=O)[C@H](N)CCCCC#N)CC1 1578745072 RJPIVSCATKROQB-GFCCVEGCSA-N 316.427 -0.062 30 20 DBED C#CC[C@H](CO)NC(=O)COc1cccc(-c2nn[nH]n2)c1 1588332391 ZOQGOANUIGZAFO-LLVKDONJSA-N 301.306 -0.254 30 20 DBED C#CC1(O)CN(C(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)C1 1588333354 NHSBTJAAHUTHHG-UHFFFAOYSA-N 305.244 -0.035 30 20 DBED C=CCN1CC[C@H](N(C)c2ccnc(-c3nn[nH]n3)n2)C1=O 1588655168 XETPBGKSTRNFQY-VIFPVBQESA-N 300.326 -0.120 30 20 DBED C[C@@H]1COCCN(C(=O)C(=O)N2CCC(C#N)(C(=O)O)CC2)C1 1594606857 GYCXOURYXWPIBJ-NSHDSACASA-N 323.349 -0.302 30 20 DBED CSc1nc(O)c(C(=O)NC[C@@H](O)CC(=O)O)cc1C#N 1599805519 ZONBWEGUBOVLSM-ZETCQYMHSA-N 311.319 -0.054 30 20 DBED C#C[C@@H](NC(=O)C(=O)Nc1cc(C(=O)O)n(C)c1)[C@H]1CCCO1 1602671383 SBQFNAZYVMNHJD-ZYHUDNBSSA-N 319.317 -0.041 30 20 DBED C=CCOC[C@@H](NS(=O)(=O)c1cn(C)nc1CC)C(=O)O 1602915458 NODHXECWZUTDBE-SNVBAGLBSA-N 317.367 -0.083 30 20 DBED C=CCn1c(-c2cn(C)nn2)nnc1N1CCO[C@H](C(=O)O)C1 1602930573 YQOQMBRSSLQZEI-JTQLQIEISA-N 319.325 -0.451 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N[C@]1(CC(=O)O)CCCOC1 1603129365 DSZWTEYOORGFSE-PWSUYJOCSA-N 319.383 -0.064 30 20 DBED N#C[C@H]1CN(S(=O)(=O)NC2CC(CC(=O)O)C2)CCO1 1608178744 BEAROBCCLRYFML-RTBKNWGFSA-N 303.340 -0.702 30 20 DBED C[C@@H](NC(=O)c1cn[nH]c1)[C@@H]1CCCN(CC(=O)NCC#N)C1 1752833336 FAGOADGLWKLNTP-VXGBXAGGSA-N 318.381 -0.120 30 20 DBED N#CCNC(=O)CNC[C@@H]1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 1752951927 OXZSUTGPASUTHB-DGAVXFQQSA-N 320.393 -0.368 30 20 DBED C#CCNC(=O)CN(CCNC(=O)c1csnn1)C1CC1 1753156689 FMZLKSXYXPSWSL-UHFFFAOYSA-N 307.379 -0.518 30 20 DBED C#CCNC(=O)CN1CC(NC(=O)COc2ccc(F)cc2)C1 1753393486 QUIURBMZJYCUJS-UHFFFAOYSA-N 319.336 -0.246 30 20 DBED N#Cc1c[nH]c(C(=O)NC/C=C/CN[C@@H]2CCC(=O)NC2=O)c1 1754109277 PSYVBXLBTXAQSH-FMBMQGQPSA-N 315.333 -0.433 30 20 DBED C#CCN(C(=O)c1cccc(O)n1)C1CCN(CC(N)=O)CC1 1754636641 LVVZUNHKTFNKNV-UHFFFAOYSA-N 316.361 -0.188 30 20 DBED COCC#CCNC[C@H]1CN(C(=O)c2cncnc2)CCO1 1755000170 PKFVSIIRRLKHCF-AWEZNQCLSA-N 304.350 -0.443 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)N1C[C@H]2CC[C@H]1CN2CC(N)=O 1755398553 YSEDFJVQQXGZDX-HZSPNIEDSA-N 322.409 -0.382 30 20 DBED C=C(C)CN(CC)C(=O)CN1C[C@@H]2C(CNC(=O)C(N)=O)[C@H]2C1 1755432535 WGQDXTAXGWSVLU-CHWSQXEVSA-N 322.409 -0.810 30 20 DBED C=CCCn1cc(C(=O)N[C@H]2C[C@H](CN[C@H](C)C(N)=O)C2)nn1 1755481333 ZUCXCEYZIBQEIL-IJLUTSLNSA-N 320.397 -0.174 30 20 DBED C=C(C)CN[C@@H]1CN(C(=O)CS(=O)(=O)NC)CC1(C)C 1755767055 UTYIJYSZEQHPTQ-LLVKDONJSA-N 303.428 -0.062 30 20 DBED CN(CC(=O)N(C)C)C[C@H](O)CN(C)C(=O)C#CC(C)(C)C 1755801058 SWWURRKGMDDOIZ-ZDUSSCGKSA-N 311.426 -0.125 30 20 DBED C#CCNC(=O)CC(=O)N(C)[C@H](C)CNC(=O)[C@H](OC)C1CC1 1756020655 LMVNFRCKSPETFA-IAQYHMDHSA-N 323.393 -0.486 30 20 DBED C=C[C@@](C)(O)CC(=O)NC1(CCO)CN(C(=O)[C@H](C)OC)C1 1756080472 WCMFBTINDVZVLN-SMDDNHRTSA-N 314.382 -0.572 30 20 DBED CC(C)C#CC(=O)NC1(CCO)CN(C(=O)c2ncccn2)C1 1756082060 NMVKLPMZYROHMV-UHFFFAOYSA-N 316.361 -0.171 30 20 DBED CNC(=O)NCC(=O)NCC1[C@H]2CN(C(=O)C#CC3CC3)C[C@H]12 1756203500 PESOFAVUCQQYRL-CHWSQXEVSA-N 318.377 -0.851 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@H](CO)NC(=O)c1cc(C)nn1C 1756516001 SSBMJQZTVDAWGA-XHDPSFHLSA-N 324.381 -0.737 30 20 DBED Cc1ccnc(C(=O)N(C)C[C@@H](O)CNC(=O)C#CC2CC2)n1 1756661321 WZXVWQGLMMHTNJ-ZDUSSCGKSA-N 316.361 -0.252 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)C[C@@H](C)OC)C[C@H]1O 1756985353 AHKGUVZSTLUUSA-IJLUTSLNSA-N 300.355 -0.698 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](O)[C@H](NC(=O)CN(C)C(C)C)C1 1757005672 ADWWYYATDMJARE-ZIAGYGMSSA-N 309.410 -0.326 30 20 DBED C=CCN(CC=C)S(=O)(=O)N1CCC[C@](O)(C(=O)O)C1 1776177448 ZQYOBXLMDBTPID-GFCCVEGCSA-N 304.368 -0.183 30 20 DBED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccnn3C)C[C@@H]21 1790791138 YRENUPWNKADSLN-OBJOEFQTSA-N 316.361 -0.353 30 20 DBED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3C=CCN3)C[C@@H]21 1790791611 JHCTVQJUDLNVFU-XUXIUFHCSA-N 303.362 -0.873 30 20 DBED CC(=O)N(C)[C@@H](C)C(=O)N1CCCC12CN(C(=O)CC#N)C2 1843425108 KCAXOEMOCQUKLB-NSHDSACASA-N 306.366 -0.030 30 20 DBED C#CC(=O)N1CC2(CCCN2C(=O)c2cc(OC)n(C)n2)C1 1844836656 KSIYGGOLOHCAOX-UHFFFAOYSA-N 302.334 -0.121 30 20 DBED Cc1nc(C#N)c(N2CCN(C(=O)CN(C)CC#N)CC2)o1 68972092 MBHCEUFLDZXCCI-UHFFFAOYSA-N 302.338 -0.041 30 20 DBED Cn1c(CO/N=C(\N)COc2ccccc2)cc(=O)n(C)c1=O 73448282 BJNZLVJBXWFVGU-UHFFFAOYSA-N 318.333 -0.048 30 20 DBED CCN(CCC#N)C(=O)CN1CCN(CC(=O)NC(C)C)CC1 76649304 SPSLLIFAKPDIGB-UHFFFAOYSA-N 323.441 -0.109 30 20 DBED N#Cc1cnn(C(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1N 119477562 MCOZPBAOGJEINA-RJVLYZLMSA-N 311.301 -0.216 30 20 DBED CN(C)C[C@](C)(O)CNC(=O)CNC(=O)c1ccc(C#N)cc1 123745262 PHHMPKZQDSFFEQ-MRXNPFEDSA-N 318.377 -0.283 30 20 DBED C#CCCCNC(=O)Cn1cc(Br)c(=O)[nH]c1=O 172934120 XNHQJJOSFQRUQI-UHFFFAOYSA-N 314.139 -0.171 30 20 DBED CO/N=C(/C(=O)NCCCN1C(=O)CNC1=O)c1ccco1 266822579 IUURXWZIDMHJEV-LFIBNONCSA-N 308.294 -0.312 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)Cc2cc(C)[nH]n2)CC1 267999578 UZQPNZXVFYSQIP-UHFFFAOYSA-N 317.393 -0.456 30 20 DBED C[C@@H](CN1CCOCC1)N(C)c1c(C#N)c(=O)n(C)c(=O)n1C 278831436 KCHIRKGAHQTDAN-NSHDSACASA-N 321.381 -0.887 30 20 DBED C#CCn1ccc(CN(CC)C(=O)[C@@H](C)NS(C)(=O)=O)n1 279209597 WNQXQFLMOYGBHJ-LLVKDONJSA-N 312.395 -0.198 30 20 DBED N#Cc1ccc(C[C@@H](C#N)C(=O)N2CCO[C@H](C(N)=O)C2)cc1 279539179 NCOQHIDGGKMNFN-KBPBESRZSA-N 312.329 -0.047 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(C)(C)NS(C)(=O)=O)C1=O 281715998 NDABGGOTQKXEON-JTQLQIEISA-N 317.411 -0.441 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCc2cccnc2)C1=O 283239680 WCVSLUDKYDPXCI-ZDUSSCGKSA-N 316.361 -0.057 30 20 DBED Cc1nc(N2CCN(CCS(N)(=O)=O)CC2)ccc1C#N 292079017 XSJFEEBOSBVZOH-UHFFFAOYSA-N 309.395 -0.328 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCn2cnnc2C1 292353327 QFIOOEPBKUWUBZ-YPMHNXCESA-N 319.365 -0.282 30 20 DBED CC(C)N/C(N)=N/CCS(=O)(=O)NC[C@H]1CCCCO1 304761427 UKZQKEWXXLBHCP-LLVKDONJSA-N 306.432 -0.212 30 20 DBED C=CCN(C(=O)[C@@H]1COCCN1C)[C@H]1CCS(=O)(=O)C1 328946723 GNYDDWIJCLDDLB-RYUDHWBXSA-N 302.396 -0.481 30 20 DBED CO[C@@H]1C[C@@H](c2nc[nH]n2)N(/C(O)=N/[C@@H]2CCN(C)C2=O)C1 329078845 QQJGYXYNLBPCGX-BBBLOLIVSA-N 308.342 -0.289 30 20 DBED CC1CCN(C[C@@H](O)C/N=C(/O)Cn2ncn(C)c2=O)CC1 329464992 VGPFKBUXFPNIQQ-LBPRGKRZSA-N 311.386 -0.369 30 20 DBED COCCN1CC[C@H](N/C(O)=N/C[C@@H]2CN(C)CCN2C)C1 329671575 NGKJXYVQTINDOP-UONOGXRCSA-N 313.446 -0.544 30 20 DBED C[C@H](CS(C)(=O)=O)/N=C(/O)N(C)CCN1CCOCC1 330750560 AZJLCHDNNAENPB-LLVKDONJSA-N 307.416 -0.403 30 20 DBED Cc1cc(O)cc(=O)n1CCC(=O)N1CCN(CC#N)CC1 331255468 VHILSDAKRUMMPB-UHFFFAOYSA-N 304.350 -0.080 30 20 DBED N#C[C@H]1CN(C(=O)NC[C@H]2CCCCS2(=O)=O)CCO1 332847717 CDDHQHUHZYNFGK-WDEREUQCSA-N 301.368 -0.112 30 20 DBED C[C@@H](CCN1CCOCC1)NC(=O)[C@H](C)n1cnc(C#N)n1 337016164 LXCNUWJXEAXUKY-RYUDHWBXSA-N 306.370 -0.062 30 20 DBED C=CCOCCN[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 339035975 BIVVLFCMKSVLHO-OLZOCXBDSA-N 304.412 -0.724 30 20 DBED C=CC[C@H](CO)CNC(=O)CN(C)[C@H]1CCS(=O)(=O)C1 342414044 SDVLFLQOZPHJMZ-RYUDHWBXSA-N 304.412 -0.594 30 20 DBED C=CCNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)NC)c1 353341152 AXUNWCONGLGGAY-UHFFFAOYSA-N 315.326 -0.026 30 20 DBED C[C@H](CNC(=O)C(=O)N1CCC(C#N)CC1)CN1CCOCC1 357999133 YVMSGQZKYLKPJS-CYBMUJFWSA-N 322.409 -0.167 30 20 DBED N#CC1(NC(=O)CN2CCN3C(=O)NC(=O)[C@H]3C2)CCCCC1 408023690 UWTQBJQWGPLIIH-LLVKDONJSA-N 319.365 -0.435 30 20 DBED C=CCC[C@@H](CO)NC(=O)NCCS(=O)(=O)NC(C)C 458121925 YLGDYMFFUXXFMW-NSHDSACASA-N 307.416 -0.060 30 20 DBED C#CCN1CCN(C(=O)CN2C[C@H](C)O[C@@H](COC)C2)CC1 490711705 AYJPDIAVKLGRCF-LSDHHAIUSA-N 309.410 -0.501 30 20 DBED C#CCNC(=O)CN1CCN(Cc2cccc(OC)n2)CC1 491145749 LZZPAEZEUKPTJF-UHFFFAOYSA-N 302.378 -0.043 30 20 DBED C#CCN(C(=O)C(=O)Nc1cnc(OC)c(C(N)=O)c1)C1CC1 491709654 RYWWIIHVMASCEB-UHFFFAOYSA-N 316.317 -0.248 30 20 DBED C#CCN(C)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 491783944 OLYAVYKKAKTKAZ-SNVBAGLBSA-N 323.374 -0.456 30 20 DBED Cc1c(C(=O)O)cccc1S(=O)(=O)NCC(=O)NCC#N 505854000 YKTYHIFKCPSKRD-UHFFFAOYSA-N 311.319 -0.389 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)N2CC[C@H](CO)[C@@H](O)C2)cc1 546697472 KDKBTKSHLQAQIH-KGLIPLIRSA-N 317.345 -0.510 30 20 DBED C[C@@H](O)C1(NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC1 595202832 GRUKTWVNPUBUEW-SECBINFHSA-N 319.365 0.478 30 20 DBED CSCC[C@H](NS(=O)(=O)N(C)C[C@@H](C)C#N)C(N)=O 599405431 SUTMNYNOZYWIQQ-IUCAKERBSA-N 308.429 -0.481 30 20 DBED N#Cc1ccccc1OC[C@H](O)CNC[C@H]1CC[C@@H](C(N)=O)O1 600732452 ZULVZWXBUFZVJJ-NFAWXSAZSA-N 319.361 -0.080 30 20 DBED C=CCc1ccc(OCC(=O)NC[C@@H](O)C(N)=O)c(OC)c1 647626187 KLQSLOACUJYWBU-LLVKDONJSA-N 308.334 -0.235 30 20 DBED CO[C@H](CNc1c(C#N)c(=O)n(C)c(=O)n1C)C(F)(F)F 733303192 IALITPAKOYRDLQ-SSDOTTSWSA-N 306.244 -0.055 30 20 DBED C#CCNS(=O)(=O)N1CCN(C[C@H]2CCCOC2)CC1 761035649 BPGZZNSMJIBVCC-CYBMUJFWSA-N 301.412 -0.502 30 20 DBED C#C[C@H](NC(=O)Cn1nc2ccccn2c1=O)[C@H]1CCCO1 772878843 JSFGCHKPJYPSTE-NWDGAFQWSA-N 300.318 -0.207 30 20 DBED C#C[C@H](NC(=O)C(=O)Nc1cnn(CCOC)c1)[C@H]1CCCO1 773797895 OUPZCQCOVBNKNW-QWHCGFSZSA-N 320.349 -0.235 30 20 DBED C#C[C@@H](NC(=O)C(=O)NCCCn1ccnc1)[C@H]1CCCO1 774460564 DQIXWIRBRXYLSL-CHWSQXEVSA-N 304.350 -0.314 30 20 DBED N#Cc1cc(C(=O)NCCS(=O)(=O)N2CCOCC2)c[nH]1 776963120 SLKCTGXOFSSIJS-UHFFFAOYSA-N 312.351 -0.722 30 20 DBED Cc1c[nH]cc(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)c1=O 777802371 QRHAYSNDQVAAKF-QINSGFPZSA-N 316.317 -0.060 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCN(C(C)=O)C[C@@H]1C)[C@H]1CCCO1 809308324 HNNRYMQKTBQGRM-FPMFFAJLSA-N 321.377 -0.637 30 20 DBED C#CCCS(=O)(=O)NC(=O)Cn1nnc2ccccc2c1=O 810783355 LYZUFIXOIDVETD-UHFFFAOYSA-N 320.330 -0.739 30 20 DBED CC1=C(C(=O)N2CCN(CCC#N)CC2)Cn2nnnc2N1C 827483013 ACHCAKDXFZJEFI-UHFFFAOYSA-N 316.369 -0.545 30 20 DBED C#C[C@@H](NC(=O)C(=O)N1CCN[C@@H](C(C)C)C1)[C@@H]1CCCO1 842164502 WBRXPKZLOHRAOC-MCIONIFRSA-N 307.394 -0.260 30 20 DBED C=C[C@H](C)ONC(=O)NCCC(=O)N1CCN(C(C)=O)CC1 845636837 RWFMNTGNICBVCY-NSHDSACASA-N 312.370 -0.128 30 20 DBED CN(Cc1cn(C)nn1)c1ccc(S(N)(=O)=O)cc1C#N 853860382 GLCUBLMGCUZTKS-UHFFFAOYSA-N 306.351 -0.029 30 20 DBED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCOCCN2)c1 854692284 OCMPISYPQUBEQU-UHFFFAOYSA-N 323.374 -0.425 30 20 DBED CN1C(=O)[C@@H]2CN(S(=O)(=O)c3cccc(C#N)c3)C[C@@H]2C1=O 867765414 PBZXDASKQSJGAH-TXEJJXNPSA-N 319.342 -0.206 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@H]1CCN(C)C(=O)C1 912703218 CVTUICHNLNZCLW-ZJUUUORDSA-N 311.338 -0.202 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)CS(=O)(=O)CC 920596406 SBBJCNSNFWVJDX-QMMMGPOBSA-N 306.340 -0.635 30 20 DBED C#CCN1CCC[C@H](NC(=O)[C@@H](NS(C)(=O)=O)C(C)C)C1 923564420 YBBZIKYFLOHYBK-STQMWFEESA-N 315.439 -0.226 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)Cn3cncn3)C2)[nH]1 937840727 CANOADSQCNYDPD-NSHDSACASA-N 313.321 -0.491 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(CC1)CN(C(=O)[C@@H]1CNC(=O)N1)C2 945029652 ABUDOXZZHXMNNR-QWRGUYRKSA-N 319.365 -0.722 30 20 DBED C#CCN1CCOC2(CCN(C(=O)[C@@H]3COC(=O)N3)CC2)C1 949355444 PJWPBKJMTRLUIG-LBPRGKRZSA-N 307.350 -0.579 30 20 DBED Cn1cnc(C(=O)NC[C@H]2CCN2C(=O)c2c[nH]c(C#N)c2)n1 949743542 MWMSWTNXSYXJAI-LLVKDONJSA-N 313.321 -0.341 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2CCC[C@H](C1)N2C(=O)C(N)=O 952804842 REYSBAXSPYGGOI-XQHKEYJVSA-N 321.377 -0.345 30 20 DBED C#CCCN1C[C@H]2[C@H](NC(=O)[C@@H]3CCN(C)S3(=O)=O)[C@H]2C1 962013973 XUSYMYZCUXFZRF-QNWHQSFQSA-N 311.407 -0.910 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CN(C(=O)c3c[nH]c(=O)cn3)C[C@H]2C1 962229445 GUKDZWUTDJIOPF-GARJFASQSA-N 315.333 -0.540 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)c1cncnc1 964167736 UUOJLAURCKNRIS-CMPLNLGQSA-N 303.322 -0.407 30 20 DBED C[C@H](C#N)C(=O)N1CC2(C[C@@H](NC(=O)c3cnsn3)CO2)C1 965637897 KQDDFIRIDDENDX-RKDXNWHRSA-N 321.362 -0.203 30 20 DBED N#CCNC1CC2(C1)CC(NC(=O)c1nccnc1C(N)=O)C2 965902983 AXWVJWNMUBNMFF-UHFFFAOYSA-N 314.349 -0.270 30 20 DBED CN1CC[C@@H](N[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)C1=O 968467286 ZQPLRAWNKLWQHA-DGCLKSJQSA-N 301.350 -0.079 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)nc1 969347995 ZEMCCAITEAHLDG-HONMWMINSA-N 312.329 -0.476 30 20 DBED C=CCn1cc(C(=O)N2CC[C@@H](N[C@@H]3CCCNC3=O)C2)nn1 970203664 FHWPOMOXPBEIAW-VXGBXAGGSA-N 318.381 -0.453 30 20 DBED Cc1ccoc1CC(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1O 970377136 JWONIVHMCIVQHN-TUAOUCFPSA-N 305.334 -0.022 30 20 DBED Cc1nc(CC(=O)N2C[C@H]3CCN(C(=O)[C@H](C)C#N)C[C@H]32)n[nH]1 972081907 OBUXOHCAKFXHJM-YUSALJHKSA-N 316.365 -0.125 30 20 DBED CC#CCN1CCO[C@]2(CCN(C(=O)[C@@H]3COC(=O)N3)C2)C1 972359043 WEQNGCPELSRMSR-SWLSCSKDSA-N 307.350 -0.579 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@]2(CN(CC(N)=O)CCO2)C1 972560439 BZHPSRADVBSFNZ-DVOMOZLQSA-N 323.393 -0.634 30 20 DBED C#CCCN1C[C@@H]2C(CNC(=O)[C@@H]3CN(C(C)=O)CCO3)[C@H]2C1 979013984 LGXGMKPRHRZVGG-OAGGEKHMSA-N 319.405 -0.449 30 20 DBED CC#CCN1CCCN(C(=O)Cn2ccc(O)nc2=O)CC1 981567157 YCYHXCBSEDSDRM-UHFFFAOYSA-N 304.350 -0.494 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](CNC(=O)c2cncnc2O)C1 983212917 SSBYCSNKXANCJN-VHSXEESVSA-N 303.322 -0.080 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)C(N)=O)C[C@@H]2C1 986587971 GSJKIEMGKXLSPJ-XQHKEYJVSA-N 321.377 -0.630 30 20 DBED C[C@@]1(C(=O)N2CC(NC(=O)c3cc(C#N)c[nH]3)C2)CNC(=O)C1 990702911 FUQPGPMKWLNBEB-HNNXBMFYSA-N 315.333 -0.647 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)C3CC3)C[C@H]2O)[nH]1 991403188 PHEDENIMZDZEAO-WCQYABFASA-N 302.334 -0.012 30 20 DBED C=C1CC(C)(C(=O)N2CC[C@H](NC(=O)c3nc[nH]n3)[C@@H](O)C2)C1 991677653 XMVPQXOFTMKQPL-QWRGUYRKSA-N 319.365 -0.147 30 20 DBED C[C@H](C#N)C(=O)N1CC(NC(=O)c2ccn(CCN(C)C)n2)C1 992059656 HODIUGKTMVHPMK-LLVKDONJSA-N 318.381 -0.455 30 20 DBED C#CCCN1CC[C@]2(NC(=O)CN3C(=O)CNC3=O)CCC[C@H]12 992476839 QEHGJLCFFCFFFJ-BLLLJJGKSA-N 318.377 -0.325 30 20 DBED CC1(C)CN(C(=O)CCN2C(=O)CCC2=O)C[C@H]1NCC#N 996014727 AXXCIGMZMOPBKN-LLVKDONJSA-N 306.366 -0.124 30 20 DBED C#CCN1CCC([C@H](C)NC(=O)[C@H]2CCS(=O)(=O)N2)CC1 997871701 QIEUEGSANTYNIC-WCQYABFASA-N 313.423 -0.472 30 20 DBED C=C[C@@](C)(CC)C(=O)N1CC(NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 999812729 MQQLBQMHMVLHFJ-OZVIIMIRSA-N 323.393 -0.051 30 20 DBED C=CCCN1CCC[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 1008726880 KXHFKUYWCNSYLW-GFCCVEGCSA-N 320.393 -0.146 30 20 DBED C=CCn1cc(C(=O)N2CCO[C@@H]([C@H](C)NC(C)=O)C2)nn1 1009690435 PZPHOOSCHVFZFB-GXFFZTMASA-N 307.354 -0.170 30 20 DBED CN1CC[C@H](N[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1=O 1018678557 BSDPNCAAPJVSRJ-RYUDHWBXSA-N 301.350 -0.079 30 20 DBED C[C@H](C#N)C(=O)N1CCC2(CN(C(=O)CCn3cncn3)C2)C1 1018793076 UNAIRYNOMAALKW-GFCCVEGCSA-N 316.365 -0.111 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(C1)CN(C(=O)[C@H]1CC(=O)N(C)C1)C2 1019099087 PGSDTLKJFVOYCT-RYUDHWBXSA-N 318.377 -0.315 30 20 DBED C=CCN1CC[C@@H](N[C@H]2C[C@@H](NC(=O)[C@@H]3CCC(=O)N3)C2)C1=O 1022996258 KJTUOSZIZGGDOB-QNWHQSFQSA-N 320.393 -0.711 30 20 DBED C=C(C)CN[C@@H]1CC[C@@H]2CN(C(=O)Cn3ncn(C)c3=O)C[C@@H]21 1026297483 DTLRSKMSPCWDTM-HZSPNIEDSA-N 319.409 -0.016 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)[C@@H]3CCCN3C)C2)C1=O 1030161406 MAXOCZAOGQFMCS-KBPBESRZSA-N 306.410 -0.332 30 20 DBED C=CCCN1CCCC[C@@H](NC(=O)CN2CCNC(=O)C2)C1 1034345386 NOHHCXLVSRXCQG-CQSZACIVSA-N 308.426 -0.035 30 20 DBED C=C(Cl)CN1CCO[C@@H](CNC(=O)[C@H]2COC(=O)N2)C1 1035351973 JJSIZHNYUPQMQY-VHSXEESVSA-N 303.746 -0.336 30 20 DBED N#CCN1CC[C@@H]2CN(C(=O)c3nccnc3C(N)=O)CC[C@H]21 1036889559 CMDXAMYYMTWXOK-GHMZBOCLSA-N 314.349 -0.365 30 20 DBED C=CCCN1CC[C@H]1CNC(=O)c1c[nH]nc1S(N)(=O)=O 1038683144 VVDDATLDIQOETD-VIFPVBQESA-N 313.383 -0.563 30 20 DBED Cc1n[nH]c(C)c1C(=O)N1CC[C@@](O)(CNC(=O)[C@@H](C)C#N)C1 1040758864 CEDBGVPYDSJMKJ-BJOHPYRUSA-N 319.365 -0.121 30 20 DBED Cc1cc(C(=O)N2CC[C@](O)(CNC(=O)[C@H](C)C#N)C2)no1 1040764294 VTRHPVKQDFQRQC-OTYXRUKQSA-N 306.322 -0.164 30 20 DBED Cc1cnoc1C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1O 1041152350 HYTRRQUHQDGEFP-NXEZZACHSA-N 314.305 -0.376 30 20 DBED C=CCCOCC(=O)N1CC(O)(CNC(=O)c2cc(C)[nH]n2)C1 1041738631 OEOJZALYLLDEGC-UHFFFAOYSA-N 322.365 -0.386 30 20 DBED C=CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)[C@H](C)OC)C1 1041773496 TUIHZDFAFVXOLP-WDEREUQCSA-N 300.355 -0.698 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(O)(CNC(=O)c2ncoc2C)C1 1041815271 ZZLACZCYSOAZQK-AWEZNQCLSA-N 323.349 -0.387 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(O)(CNC(=O)/C=C/C2CC2)C1 1042311360 AFDNGAPWTRPZNW-LFAOLKIESA-N 308.378 -0.031 30 20 DBED Cc1ccc(C(=O)NCC2(O)CN(C(=O)C#CC(C)C)C2)nn1 1042973214 SJDMEYFFGDAXGD-UHFFFAOYSA-N 316.361 -0.252 30 20 DBED CCN1CCCC[C@@H]1C(=O)NCC1(O)CN(C(=O)[C@H](C)C#N)C1 1043432580 JAELKSITDHBBAA-CHWSQXEVSA-N 322.409 -0.290 30 20 DBED N#Cc1nccnc1N1C[C@H](O)[C@H](NC(=O)Cc2cccnc2)C1 1043907434 DTMZNBOADFAUJE-KGLIPLIRSA-N 324.344 -0.348 30 20 DBED C=CCN1CC(N(C)C(=O)Cn2nc3n(c2=O)CCCC3)C1 1044147776 CTACPNSEBKPYBM-UHFFFAOYSA-N 305.382 -0.290 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)[C@@H]2CCNC2=O)C1 1044456628 XRQAGFVOGYFLPX-SNVBAGLBSA-N 309.366 -0.976 30 20 DBED C#CCCN1CC[C@H](N2CCN(C(=O)Cc3nc[nH]n3)CC2)C1 1046076114 CCQQVGKSWURYFP-AWEZNQCLSA-N 316.409 -0.411 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CN2CCCC2=O)C1 1048213956 JMIUPPYXGUCORQ-STQMWFEESA-N 323.393 -0.395 30 20 DBED C=CCOCC(=O)N(C)[C@H]1CN(C(=O)c2nc(C)c[nH]2)C[C@@H]1O 1048558845 YVSFPNMQUGHOEA-RYUDHWBXSA-N 322.365 -0.436 30 20 DBED C=C(C)CCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CNC(=O)N2)C1 1049349563 VBTIOSFSKZTYJZ-SRVKXCTJSA-N 324.381 -0.946 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)CSCC#N)C[C@@H]1O 1049387909 CVFKNNMEUJRSKU-DCAQKATOSA-N 310.379 -0.567 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)CCc1cn(C)nn1)CCO2 1053552100 MINRRHMNJBTFOP-UHFFFAOYSA-N 317.393 -0.316 30 20 DBED COc1nn(C)cc1C(=O)NC[C@H]1CCC2(CN(CC#N)C2)O1 1053635700 KJKBUMKTADVREE-LLVKDONJSA-N 319.365 -0.085 30 20 DBED C[C@H]1CN(C(=O)CN2CCCCS2(=O)=O)C[C@H]1NCC#N 1054912359 RUZIZNBNLDRSAI-NWDGAFQWSA-N 314.411 -0.628 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@](CO)(NC(=O)c2cn(C)nn2)C1 1055925074 QWLANZGRIZCPHF-HZMBPMFUSA-N 320.353 -0.942 30 20 DBED N#Cc1nccc(N2C[C@H]3C(NC(=O)[C@@H]4[C@H]5COC[C@H]54)[C@@H]3C2)n1 1056364882 DAYZDIHIIGAYMZ-YBRCUDMCSA-N 311.345 -0.209 30 20 DBED C=C[C@@H](C)[C@H](C)C(=O)NCCN(CCO)C(=O)Cn1cnnn1 1056932988 JWJMFZZCAQXPTR-NEPJUHHUSA-N 324.385 -0.932 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)Cc1ncc[nH]1 1057522298 ZQKOACVPVYHSAE-UHFFFAOYSA-N 306.366 -0.451 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)[C@H]1CCN(C)C1 1057631794 CNGKKZMINDZAKQ-AWEZNQCLSA-N 309.410 -0.321 30 20 DBED N#Cc1ccc(N2CCC(NC(=O)[C@@H]3CCNC3=O)CC2)nn1 1057924811 FYSGYXLWHWLWBR-GFCCVEGCSA-N 314.349 -0.431 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)[C@H]1CCC(=O)NC1 1058052739 WNJCQPQYNJHVFZ-LBPRGKRZSA-N 311.382 -0.584 30 20 DBED N#Cc1cncc(N2CC[C@@H](NC(=O)CN3CCCC3=O)C2)n1 1058308077 GUIZHOITXYAASK-LLVKDONJSA-N 314.349 -0.334 30 20 DBED CC#CCCCC(=O)N(CCO)CCNC(=O)c1cnnn1C 1058446151 QDOOHKZYVVDYHZ-UHFFFAOYSA-N 321.381 -0.441 30 20 DBED Cc1[nH]nc(C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N)c1O 1058652597 AZZIQBIADDGLPA-QMMMGPOBSA-N 309.326 -0.866 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)CN1CCC(C)(C)C1 1058658687 JGRQOFWLXRAESN-ZDUSSCGKSA-N 324.425 -0.185 30 20 DBED C[C@@H]1CN(C)C[C@H]1C(=O)N(CCO)CCNC(=O)C#CC1CC1 1058849271 QGSWJIOMEXWDGV-UKRRQHHQSA-N 321.421 -0.465 30 20 DBED Cn1cncc1CC(=O)N[C@H]1C[C@@H](N=c2cc[nH]c(C#N)n2)C1 1059680528 GSAQFLKRUKPQCH-PHIMTYICSA-N 311.349 -0.195 30 20 DBED N#Cc1ccc(N2CCC[C@@H]2CNC(=O)[C@@H]2COC(=O)N2)nn1 1061353233 FJVUWZOFMBNQLC-MNOVXSKESA-N 316.321 -0.458 30 20 DBED N#Cc1ccc(N2CC[C@@H](CNC(=O)c3nccnc3N)C2)nn1 1061551373 KGFHDHJFAQPCMU-JTQLQIEISA-N 324.348 -0.023 30 20 DBED N#Cc1cnc(N2CC[C@H](CNC(=O)[C@@H]3COC(=O)N3)C2)cn1 1061593621 ZIOSKUBNKHHKOR-KOLCDFICSA-N 316.321 -0.601 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)CCCN(C)C 1061846756 GSGPZWZVILOTBK-OLZOCXBDSA-N 310.398 -0.169 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)[C@@H]2COCCO2)CCO1 1064881068 NIRSPHKASDMFKQ-STQMWFEESA-N 312.366 -0.288 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H]1CN(C(=O)c2ccon2)CCO1 1064911824 NISUBFFDFBLCBL-RYUDHWBXSA-N 321.333 -0.330 30 20 DBED C=C(Cl)C(C)(C)C(=O)N1CCO[C@@H](CNC(=O)C(N)=O)C1 1065189405 HQGUTZVCRZXSLQ-VIFPVBQESA-N 317.773 -0.406 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)CCc2cn[nH]c2)C1 1065557491 ROUGTFGIIUEEAL-AAEUAGOBSA-N 319.365 -0.154 30 20 DBED N#Cc1cncc(N2C[C@H]3CN(C(=O)CC(N)=O)C[C@H]3C2)n1 1065979836 LZUMEYBYJHUXTN-AOOOYVTPSA-N 300.322 -0.882 30 20 DBED N#Cc1nccc(N2C[C@H](CNC(=O)c3cocn3)[C@@H](O)C2)n1 1067654052 RMFBWPDKUHKVDF-ONGXEEELSA-N 314.305 -0.437 30 20 DBED C[C@H]1C[C@H](CN=c2cc[nH]c(C#N)n2)CN1C(=O)c1nc[nH]n1 1068342323 WBKVKNQCBJKUEJ-VHSXEESVSA-N 312.337 -0.149 30 20 DBED C=CCOCC(=O)N1CC2(C[C@@H](NC(=O)C(F)F)CO2)C1 1068639606 AKVNXLFXRFGLRY-SECBINFHSA-N 304.293 -0.060 30 20 DBED C=CCCCC(=O)N1CC2(C[C@H](NC(=O)CC(N)=O)CO2)C1 1068783284 AKCACBAHTLSILT-NSHDSACASA-N 309.366 -0.296 30 20 DBED O=C(C#CC1CC1)N[C@H]1COC2(C1)CN(C(=O)[C@H]1CCOC1)C2 1068860641 OTLPINFRBBKWIY-UONOGXRCSA-N 318.373 -0.078 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1COC2(C1)CN(C(=O)c1ccnn1C)C2 1069002295 DGCDQHOZLXECPM-GHMZBOCLSA-N 317.349 -0.321 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1COC2(C1)CN(C(=O)CCCN(C)C)C2 1069007855 LJOGZVHSYBVBLM-STQMWFEESA-N 322.409 -0.026 30 20 DBED C[C@H](C#N)C(=O)N1Cc2ccccc2C[C@@H]1CNC(=O)C(N)=O 1069684380 NYTIJTVJXXPGII-ZWNOBZJWSA-N 314.345 -0.299 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H]2CCCCO2)C1 1069910860 LWFKCJCXRAYLIR-HZSPNIEDSA-N 303.366 -0.178 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2[nH]cnc2CC)C1 1070084399 ANNYBCBNNQAUIM-OLZOCXBDSA-N 313.365 -0.148 30 20 DBED N#CCN[C@@H]1CN(C(=O)c2nccs2)C[C@@H]1n1ccnn1 1070301088 JASCWFODSZIWHR-ZJUUUORDSA-N 303.351 -0.087 30 20 DBED C=CCOCC(=O)N[C@@H]1CCCN(C(=O)c2cn(C)nn2)C1 1070684807 ASARMZUQISTENL-LLVKDONJSA-N 307.354 -0.262 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC[C@@H](NC(=O)[C@H](C)NC(N)=O)C1 1070726946 LYMRLXQWJFAUBW-SDDRHHMPSA-N 324.381 -0.811 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H](NC(=O)CC(N)=O)C1 1070801994 KJIIOJOPHPJNBW-XUJVJEKNSA-N 323.393 -0.050 30 20 DBED N#CCN1CCNC(=O)CCN(C(=O)[C@H]2C[C@@]23CCOC3)CC1 1071014277 GWZBAHUYVTZLSQ-CZUORRHYSA-N 320.393 -0.413 30 20 DBED C=CCCOCC(=O)N[C@@H]1CCCN(C(=O)Cn2cncn2)C1 1071372001 ANBAYAFLMSKDPP-CYBMUJFWSA-N 321.381 -0.022 30 20 DBED C=CCOCC(=O)N1C[C@@H](NC(=O)c2cnc(O)n2C)[C@H](C)C1 1071804991 JIQFOADCOYCRES-GHMZBOCLSA-N 322.365 -0.095 30 20 DBED C#CCCCC(=O)N1C[C@@H](NC(=O)C2(NC(N)=O)CC2)[C@H](C)C1 1071998114 CSSUVAQKBNBVKB-VXGBXAGGSA-N 320.393 -0.046 30 20 DBED CC#CCN1C[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)CC[C@H]1C 1072033605 OFZNCPBTBZVXSP-OCCSQVGLSA-N 319.409 -0.117 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)[C@@H]2CCc3nn[nH]c3C2)C1 1073859822 UAOJCRKEGJOAGA-CHWSQXEVSA-N 317.393 -0.250 30 20 DBED C=CCN1CCCO[C@@H](CNC(=O)c2cn(C)c(=O)n2C)C1 1073904579 ISRBJFGLFJXAEA-LBPRGKRZSA-N 308.382 -0.270 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)c3cnn(CC)n3)C[C@@H]21 1074236107 MPCYDGKVGOBBDJ-KBPBESRZSA-N 303.366 -0.154 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CCN(C(=O)CC(C)(C)O)CC1 1074567264 FFQMHASVQMVREZ-LLVKDONJSA-N 311.382 -0.223 30 20 DBED C=CCCOCC(=O)N[C@@H](C)CCNC(=O)Cn1cnnn1 1075563487 GZWDGJCVKSTHIA-NSHDSACASA-N 310.358 -0.723 30 20 DBED C#CCO[C@@H](C)C(=O)NCC[C@H](C)NC(=O)c1cc(=O)n(C)o1 1076510906 XJAIKCUQEUQXBI-QWRGUYRKSA-N 323.349 -0.359 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2ccnc(NC(C)=O)c2)C1 1077869063 MSUHOGOLKFCHRE-CHWSQXEVSA-N 302.334 -0.552 30 20 DBED C#CCOc1ncccc1C(=O)N[C@@H](C)CCNC(=O)C(N)=O 1078116379 WIHCUCKPSKSPMU-JTQLQIEISA-N 318.333 -0.797 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2C[C@H](NCC(N)=O)C23CCC3)nn1 1078743652 GQLGSDANOQONAP-NWDGAFQWSA-N 318.381 -0.420 30 20 DBED CC(C)(C)C(=O)C(=O)NC[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 1081349260 NWSJFSRQKJYLSG-STQMWFEESA-N 320.389 -0.050 30 20 DBED C#CCCN1C[C@@H](NC(=O)C[C@@H]2CCC(=O)NC2)[C@H](OC)C1 1081791950 BMBXIMPYXLWTHA-BFHYXJOUSA-N 307.394 -0.259 30 20 DBED C#CCN1C[C@@H](NC(=O)c2cn(C)nc2COC)[C@H](OC)C1 1081868402 KKYBHQRZOLCFQQ-TZMCWYRMSA-N 306.366 -0.371 30 20 DBED C=CCN1C[C@@H](NC(=O)c2cccc(C(N)=O)n2)[C@H](OC)C1 1082389242 FCUHBPBPYYXNLV-CHWSQXEVSA-N 304.350 -0.205 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)c2ccc3c(c2)NC(=O)CO3)C1 1083541328 ZVDBCEZOPZXDHN-OLZOCXBDSA-N 317.345 -0.022 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](NC(=O)C[C@@H]2CCN(C)C2=O)C1 1083552158 SYSVXGUMRXYVSM-MJBXVCDLSA-N 309.410 -0.018 30 20 DBED C=CCCn1cc(C(=O)N[C@@H]2CN(CCCF)C[C@@H]2O)nn1 1083846814 UFOJXIMXKZUWBC-YPMHNXCESA-N 311.361 -0.011 30 20 DBED C=CCCN1CC[C@H](NC(=O)CC2CS(=O)(=O)C2)[C@@H](O)C1 1090372063 PJDMZMQYNLBIPK-STQMWFEESA-N 316.423 -0.451 30 20 DBED Cc1cc(N2C[C@@H](NC(=O)CNC(N)=O)[C@H](C)C2)c(C#N)cn1 1090650164 WZMXXOFPEGRQJU-BXKDBHETSA-N 316.365 -0.129 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(c2nccnc2F)C[C@H]1C 1090702835 QVSGHVBUMIAADL-GHMZBOCLSA-N 319.340 -0.304 30 20 DBED C#CCN1CCC(C(=O)N[C@@H]2CCN(CC#C)C[C@H]2O)CC1 1090830902 QNRFBLGUUBGKNC-HZPDHXFCSA-N 303.406 -0.484 30 20 DBED C=CCCN1CC[C@@H](NC(=O)c2cn(C)c(=O)n2C)[C@@H](O)C1 1090836514 NSQXAXCYZDELJB-YPMHNXCESA-N 308.382 -0.535 30 20 DBED COCCCC(=O)N[C@@H]1CCN(c2ccnc(C#N)n2)C[C@@H]1O 1092138301 UBOVDELSIOPOED-NEPJUHHUSA-N 319.365 -0.169 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1[C@@H]2CN(c3cccc(F)n3)C[C@@H]21 1093265443 FLEWVKLCOWEIOK-CDMJZVDBSA-N 316.336 -0.089 30 20 DBED Cc1cc(C#N)nc(NCCNC(=O)[C@H](C)N2CCOCC2)n1 1093730622 GEUBFHXGPCWJOH-LBPRGKRZSA-N 318.381 -0.095 30 20 DBED C[C@H](NC(=O)C(C)(C)C)C(=O)NCCN=c1cc[nH]c(C#N)n1 1094027259 VGQNMARBEFJQJB-JTQLQIEISA-N 318.381 -0.151 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)Cc3cnn(C)c3)CC2=O)C1 1094711712 MAKFHDXAHAJVOY-CYBMUJFWSA-N 317.393 -0.450 30 20 DBED CNC(=O)NCC(=O)N1CCCN(c2ccncc2C#N)CC1 1095208352 JTDRQNTYZOXSDT-UHFFFAOYSA-N 316.365 -0.079 30 20 DBED N#Cc1cncc(N2CC[C@@H](NC(=O)C(=O)NCC(F)F)C2)n1 1096446106 IBJZZWDFZHWZIV-MRVPVSSYSA-N 324.291 -0.576 30 20 DBED N#Cc1nccnc1N[C@H]1C[C@@H](NC(=O)CCn2cnnn2)C1 1097208607 VAHVYLACZGRPTF-AOOOYVTPSA-N 313.325 -0.516 30 20 DBED CNC(=O)NCCC(=O)NC[C@@H](C)Nc1nccnc1C#N 1097805992 IJFBLNWSCOJWQI-SECBINFHSA-N 305.342 -0.416 30 20 DBED C[C@H](CNC(=O)CN1CCOCC1=O)Nc1cncc(C#N)n1 1098356949 XBLYJQYKRUFDQS-SNVBAGLBSA-N 318.337 -0.876 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC(N(CCO)C[C@H](C)O)CC1 1098368765 HFOWZSBXFSUHSH-KBPBESRZSA-N 312.410 -0.309 30 20 DBED C[C@H](CNC(=O)c1ccc(C(N)=O)o1)N=c1cc[nH]c(C#N)n1 1098424447 GKWHJYXEIPKZEC-MRVPVSSYSA-N 314.305 -0.308 30 20 DBED CCCCCC(=O)N[C@H]1CCN(CC(=O)NCC#N)C[C@@H]1O 1099675629 OZLZFHRLXCYXNI-STQMWFEESA-N 310.398 -0.242 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CCN(Cc2cnn(C)n2)C[C@@H]1O 1099820663 JBFCSXJROMKPRT-KGLIPLIRSA-N 305.382 -0.474 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCN(Cc2ccnn2C)C[C@H]1O 1099832126 BPYHUKOHHYTSLL-HUUCEWRRSA-N 320.393 -0.489 30 20 DBED CN(CCNC(=O)C1CS(=O)(=O)C1)c1ccc(C#N)cn1 1100165468 SQWAYXBRXZJQDK-UHFFFAOYSA-N 308.363 -0.450 30 20 DBED C=C(Cl)CNC1CC(CNC(=O)CN2CC(=O)NC2=O)C1 1100765789 ALOULHXZVTZJNW-UHFFFAOYSA-N 314.773 -0.225 30 20 DBED C#CCNC(=O)[C@H](C)NC1CC(CNC(=O)c2ccncn2)C1 1100773893 UQQKCIDWQBHFQJ-HIFPTAJRSA-N 315.377 -0.288 30 20 DBED CC(=O)N[C@H](C)C(=O)NC[C@H]1CCCN1c1ccc(C#N)nn1 1100776668 NVNGFGHPQTYYNK-ZWNOBZJWSA-N 316.365 -0.042 30 20 DBED C[C@H](CC(N)=O)C(=O)NC[C@@H]1CCCN1c1cnc(C#N)cn1 1100886769 OTNDSIDKURFQRN-PWSUYJOCSA-N 316.365 -0.055 30 20 DBED COCCOCC(=O)NC[C@H]1CCN(c2nccnc2C#N)C1 1100950388 SMCPQGCDWIPTSZ-GFCCVEGCSA-N 319.365 -0.046 30 20 DBED C[C@@H](C(=O)N(C)CCNc1cnc(C#N)cn1)N1CCOCC1 1101681641 STHRSJULSXVNCY-LBPRGKRZSA-N 318.381 -0.061 30 20 DBED CN(CCN=c1cc[nH]cc1C#N)C(=O)c1ccc(C(N)=O)[nH]1 1101969747 KZRICKYFZRYFPZ-UHFFFAOYSA-N 312.333 -0.014 30 20 DBED Cc1cc(=NC[C@H](C)CNC(=O)[C@@H]2COC(=O)N2)c(C#N)c[nH]1 1103945181 LZPLEBVZPSNENA-ZANVPECISA-N 317.349 -0.044 30 20 DBED CS[C@@H](C)CC(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1 1105827503 TUBBWVIHJRLKFU-UWVGGRQHSA-N 309.395 -0.199 30 20 DBED CCO[C@@H](C(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1)C(C)C 1105970722 MIQNYCWUVYPISQ-BXUZGUMPSA-N 321.381 -0.280 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)Cn2ccc(O)nc2=O)C[C@H]1C 1106386964 QSFZOOKFTHVYDO-CHWSQXEVSA-N 318.377 -0.344 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)[C@@H]1COCCO1 1106684899 DMZMLCRPQCJUQR-NSHDSACASA-N 305.338 -0.554 30 20 DBED C=CCCNC[C@@H]1CN(C(=O)c2cn(CC(N)=O)nn2)C[C@H]1C 1107034140 KHEUGXLMMJBREH-VXGBXAGGSA-N 320.397 -0.363 30 20 DBED C=C[C@@](C)(O)CC(=O)NC/C=C/CNc1nccn2nnnc12 1107148704 POFKFECBULRWGQ-ISZGNANSSA-N 317.353 -0.069 30 20 DBED CCn1ncc(C(=O)NC/C=C\CN=c2cc[nH]c(C#N)n2)n1 1107150918 APMNHMRLWMJLAN-ARJAWSKDSA-N 312.337 -0.220 30 20 DBED C#CCO[C@@H](C)C(=O)NCc1cn(C2CN(CCF)C2)nn1 1107169732 QGTGPWBGGQXOBQ-NSHDSACASA-N 309.345 -0.241 30 20 DBED Cn1nnc(CN2CCO[C@@](C)(CNC(=O)C#CC3CC3)C2)n1 1107932460 LKVXUSPDTKOHLQ-HNNXBMFYSA-N 318.381 -0.669 30 20 DBED CC(=O)NCC(C)(C)C(=O)NC[C@@]1(C)CN(CC#N)CCO1 1108274933 SQBPJDUTOORJBT-HNNXBMFYSA-N 310.398 -0.121 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)[C@@H]2CCc3nncn3C2)C1 1108416838 XZVIWGUNLQRYKG-CZUORRHYSA-N 317.393 -0.319 30 20 DBED C[C@H](CS(C)(=O)=O)C(=O)NC[C@]1(C)CN(CC#N)CCO1 1108424881 UJUGWEOOYHFCCB-DGCLKSJQSA-N 317.411 -0.602 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)C(C)(C)N(C)CC)CC2=O)C1 1108553257 INWKLNPUSKNCPO-ZDUSSCGKSA-N 320.437 -0.249 30 20 DBED Cn1cc(C(=O)N[C@@H](CN=c2cc[nH]c(C#N)n2)C2CC2)nn1 1109829222 RWTFWYFWVQFWNK-JTQLQIEISA-N 312.337 -0.481 30 20 DBED CC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H](C)NC(=O)COC 1110586203 QLQDZUFHHGPIJX-SYQHCUMBSA-N 307.394 -0.118 30 20 DBED CO[C@H](C)CC(=O)NC[C@]1(O)CCN(c2ccc(C#N)nn2)C1 1111045022 ALGTYMBRDVKPDQ-IAQYHMDHSA-N 319.365 -0.169 30 20 DBED N#Cc1cnc(N2CC[C@@](O)(CNC(=O)c3cn[nH]c3)C2)cn1 1111051184 XUOQGQAINQOIMR-CQSZACIVSA-N 313.321 -0.557 30 20 DBED CNC(=O)CC(=O)NC[C@@]1(O)CCN(c2ccc(C#N)nc2)C1 1111062804 QMVIOUSDDJOMBM-HNNXBMFYSA-N 317.349 -0.853 30 20 DBED Cn1cncc1C(=O)N(CCO)CCN=c1cc[nH]c(C#N)n1 1111526738 IRRBBFKKAJMIFR-UHFFFAOYSA-N 315.337 -0.950 30 20 DBED C[C@H]1CO[C@H](C(=O)N(CCO)CCN=c2cc[nH]c(C#N)n2)C1 1111599436 ZHKGIULYPAKYKV-NEPJUHHUSA-N 319.365 -0.572 30 20 DBED COCC(=O)NC[C@@H]1CN(c2nc(C)cc(C#N)n2)C[C@@H]1O 1112692267 LAPRYRGJXRWHSZ-PWSUYJOCSA-N 305.338 -0.784 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)c2ccncc2F)CC1 1112736850 IALBZVPTAPEURQ-UHFFFAOYSA-N 305.313 -0.382 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(c2ccc(C)nn2)C[C@@H]1O 1112737861 JHHAGERLMCCNCF-KGLIPLIRSA-N 318.377 -0.262 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)c2nnn(C)c2C)CC1 1112738498 HYGXYQJIFVDHAG-GFCCVEGCSA-N 320.397 -0.428 30 20 DBED C[C@H](NC(=O)CCn1cnnn1)[C@@H](C)N=c1cc[nH]c(C#N)n1 1113124468 NOPKPKNUPLKDDR-ZJUUUORDSA-N 315.341 -0.848 30 20 DBED C[C@H](Nc1cnc(C#N)cn1)[C@@H](C)NC(=O)C1CS(=O)(=O)C1 1113183279 OCCJVQUIODXTKF-DTWKUNHWSA-N 323.378 -0.302 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@@H]3CCCN3C)[C@H]2C1 1114057331 KMBCNWDVWWAWSN-SFDCQRBFSA-N 306.410 -0.571 30 20 DBED CCS(=O)(=O)NCCN1C[C@H]2[C@H](NC(=O)[C@@H](C)C#N)[C@H]2C1 1114067503 SPQBZVVXGOYKMX-NNYUYHANSA-N 314.411 -0.868 30 20 DBED N#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3cncc(F)c3)[C@H]2C1 1114126134 VIVMHEIWDWCURX-RYUDHWBXSA-N 317.324 -0.480 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@@H]2CN(CC3CCOCC3)C[C@@H]12 1114170088 MIWBHCULPPYNQO-ZIAGYGMSSA-N 319.405 -0.401 30 20 DBED C#CCCCC(=O)N[C@H]1[C@@H]2CN(CC(=O)NCCOCC)C[C@@H]21 1114196683 KYZSLFUJVSGNOF-HALDLXJZSA-N 321.421 -0.011 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@H]3CCCC(=O)N3)[C@H]2C1 1114443189 XJMOUQMFFXDLQA-ZAZJYDDPSA-N 320.393 -0.996 30 20 DBED C=CCn1cc(C(=O)NC2[C@H]3CN(C[C@@H](O)COC)C[C@H]23)nn1 1114942598 NRFOEHQUANLXNP-WOPDTQHZSA-N 321.381 -0.869 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3cn(CC)nn3)[C@H]2C1 1115031480 YIASGZGPPAZXGS-YABSGUDNSA-N 318.381 -0.740 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)Cc3nc[nH]n3)[C@@H]2C1 1115098161 AVUAASVKVRFIOX-HBNTYKKESA-N 318.381 -0.916 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)C[C@H]3CCN(C)C3)[C@@H]2C1 1115128404 LFFTYSGVDOZSCT-MGPQQGTHSA-N 320.437 -0.323 30 20 DBED CN(C)CCCN(CCC#N)C(=O)C(=O)Nc1ncn(C)n1 1117751869 VDZZRUAFZDXDFR-UHFFFAOYSA-N 307.358 -0.552 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)C23CCN(CC2)C3)nn1 1121806242 JKFOULLWEHATBY-LBPRGKRZSA-N 316.365 -0.667 30 20 DBED CCc1nc[nH]c1C(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1 1121874518 HGLHRJLKHYZMRY-SECBINFHSA-N 315.337 -0.742 30 20 DBED Cc1n[nH]c(C)c1C(=O)NC[C@@H](CO)Nc1ccc(C#N)nn1 1121920522 LVRBQYPKNNGKLB-NSHDSACASA-N 315.337 -0.109 30 20 DBED COCCCOCC(=O)NC[C@H](CO)Nc1ccc(C#N)nc1 1122052045 DFDZBXYHNGLPQN-CQSZACIVSA-N 322.365 -0.105 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CCCN(c2ccc(C#N)nn2)[C@H]1C 1123537270 GRETWWPFBTUCSX-CMPLNLGQSA-N 316.365 -0.042 30 20 DBED CN(C[C@H](O)CNc1ccc(C#N)nn1)C(=O)[C@H]1CCOC1 1124142229 ZAGFNLRSPUVKQF-CMPLNLGQSA-N 305.338 -0.384 30 20 DBED CN(C[C@@H](O)CNc1cnc(C#N)cn1)C(=O)c1cnn[nH]1 1124897581 UWTMQOGPYUXQAD-VIFPVBQESA-N 302.298 -0.989 30 20 DBED C#CCO[C@@H](C)C(=O)NCCNCCN1C(=O)NC(C)(C)C1=O 1127056658 FQOKYHJOHDLZRW-NSHDSACASA-N 324.381 -0.939 30 20 DBED CC(C)C#CC(=O)NCc1cnn2c1CN(CC(N)=O)CC2 1128347189 OZOXPRLIYZDYMI-UHFFFAOYSA-N 303.366 -0.540 30 20 DBED N#CCOc1ccc(CNCCNC(=O)[C@@H]2CNC(=O)N2)cc1 1133128319 BDLCUPOLFJVWLC-ZDUSSCGKSA-N 317.349 -0.524 30 20 DBED CC#CCNC[C@H]1CN(C(=O)Cn2c(O)nnc2O)CC[C@H]1C 1133271085 NHMSWVFRFVXQSX-NEPJUHHUSA-N 321.381 -0.213 30 20 DBED N#CCNC(=O)CNCCNC(=O)[C@H]1CCCc2nc[nH]c21 1133659673 GAVQGJPZAOSWMI-JTQLQIEISA-N 304.354 -0.825 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)COCC1CC1)NCC(=O)NCC#N 1133779097 KOSNKPLBEPMXMH-NWDGAFQWSA-N 310.398 -0.074 30 20 DBED C=CCNC(=O)CNCCNC(=O)Cn1ccc(C)cc1=O 1134534249 BBWLJIXARFMXQS-UHFFFAOYSA-N 306.366 -0.835 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1csc2cncn12 1134625892 SBONDHPSTJLQKR-UHFFFAOYSA-N 306.351 -0.645 30 20 DBED Cc1nnccc1C(=O)N[C@H](C)C[C@@H](C)NCC(=O)NCC#N 1134869442 XAYXVSSYCQRLMX-GHMZBOCLSA-N 318.381 -0.089 30 20 DBED CN(CCC(=O)NCCNCC(=O)NCC#N)c1ccccc1 1135448322 SWCXTACKCLUYFV-UHFFFAOYSA-N 317.393 -0.142 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1c[nH]nc1C1CC1 1146441221 IHQWCFQYAQCOQG-SNVBAGLBSA-N 303.366 -0.256 30 20 DBED C#CCCN1CCCO[C@H](CNC(=O)CCn2cncn2)C1 1149189194 QHHZFVKTXPGIBW-CQSZACIVSA-N 305.382 -0.101 30 20 DBED N#CCNC(=O)CN1CCCO[C@@H](CNC(=O)/C=C/C2CC2)C1 1149522003 RUIKWSYWOOBZAH-NNTXTVRGSA-N 320.393 -0.201 30 20 DBED CC#CCN1CCCO[C@H](CNC(=O)[C@H](C)S(C)(=O)=O)C1 1149903641 NRJRGZWKRSPVEV-QWHCGFSZSA-N 316.423 -0.350 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1ccc2c(c1)OCCO2 1150849518 TYHRNPIMXULMSH-UHFFFAOYSA-N 318.333 -0.583 30 20 DBED C=CCN1CCC(CCOC)(NC(=O)Cn2cnnn2)CC1 1150925039 XHADOKMAYCVESG-UHFFFAOYSA-N 308.386 -0.154 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)c1cc(C)nn1C 1152214576 JBVGTPSYABRXDO-GFCCVEGCSA-N 320.397 -0.192 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)CCn1ccnc1 1154528721 GBQSAKZTBBZQQX-CYBMUJFWSA-N 320.397 -0.260 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)Cn1nccc1C 1155540063 CZBOMGSOIKFSLP-CQSZACIVSA-N 319.409 -0.232 30 20 DBED C=CCOCC(=O)NCCCNC[C@H](C)CS(C)(=O)=O 1155712178 GSZPFMMCCKQLFL-LBPRGKRZSA-N 306.428 -0.034 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCCNC[C@H]1CCS(=O)(=O)C1 1157194710 INRSRLIAPHHFMJ-TZMCWYRMSA-N 318.439 -0.156 30 20 DBED C=CCNC(=O)[C@H](C)N1CC=C(CCNC(=O)CC(N)=O)CC1 1159646855 UPTRGDXOBKEQAD-LBPRGKRZSA-N 322.409 -0.309 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)Cc1ccc(F)cn1 1161197410 XSZBIIUDEJEKDP-GFCCVEGCSA-N 320.368 -0.003 30 20 DBED COCC#CCNCCCNC(=O)[C@@H]1CCc2nnc(O)n2C1 1161263372 XJYLHCJHOSIHNR-GFCCVEGCSA-N 321.381 -0.708 30 20 DBED COCC1(CNC(=O)[C@H]2CC(=O)N(C)C2)CCN(CC#N)CC1 1162295399 BXUOHVVYFMVACD-ZDUSSCGKSA-N 322.409 -0.167 30 20 DBED C[C@@H](C#N)C(=O)NCCC1(CNCCN2C(=O)CNC2=O)CC1 1163831392 VBDMDVGBYGCPCG-NSHDSACASA-N 321.381 -0.426 30 20 DBED C#CCCNCC1(CCNC(=O)CN2CCN(C)C(=O)C2)CC1 1165877943 DJQURZMIAZUKCE-UHFFFAOYSA-N 320.437 -0.340 30 20 DBED C#CCNC(=O)[C@H](C)NCCCC[C@@H](C)NC(=O)CC(N)=O 1169901425 SPUHTUJBSGLXJD-NEPJUHHUSA-N 310.398 -0.736 30 20 DBED O=C(C#CC1CC1)N1CC[C@@H]2OCCN(CCOCCO)[C@@H]2C1 1177005687 JHHKKRCOFPVRKI-CVEARBPZSA-N 322.405 -0.290 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@H]1CCN(C(=O)c2cnns2)C1 1189066803 HOSQZLVSFBIMTB-QWRGUYRKSA-N 321.406 -0.178 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](N(C)[C@@H](C)C(=O)N(C)C)C1 1189768769 BQFTURSYKRRFGM-STQMWFEESA-N 322.409 -0.865 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CN(CC(=O)Nc2ccon2)C[C@H]1O 1192827448 SLIQNCALQPKTOO-VXGBXAGGSA-N 318.333 -0.812 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN2C(C)C)C1 1192844495 VZDPZPUBPUVBHP-OWCLPIDISA-N 323.437 -0.330 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)CCOC[C@@H]2CCCO2)C1 1194352888 YSCQPFNTWGGJPX-RRFJBIMHSA-N 310.394 -0.243 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)CCc2ccccn2)C1 1195228471 AGCSIODYDFJSMZ-HZPDHXFCSA-N 317.389 -0.175 30 20 DBED C=C[C@](C)(CC)C(=O)N[C@@H]1CN(Cc2nnn(C)n2)C[C@H]1O 1195932253 KBOYRCNWSHXDOR-JTNHKYCSSA-N 308.386 -0.526 30 20 DBED COCC#CCN1CCCN(C(=O)CCc2cnn(C)n2)CC1 1197165297 BWAACEAGJYYFEB-UHFFFAOYSA-N 319.409 -0.068 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)c2cnn(C(C)C)c2)C1 1197732314 MGEJCUXAPMRXIH-HUUCEWRRSA-N 320.393 -0.111 30 20 DBED CC(C)NC(=O)CNC[C@@H]1CN(C(=O)[C@H](C)C#N)CCCO1 1200114373 CWSLGAWGDJTYMP-CHWSQXEVSA-N 310.398 -0.122 30 20 DBED C#CCNC[C@@H]1CN(C(=O)[C@@H](CCC)NC(N)=O)CCCO1 1201951787 ATZNLPHSIJGOIJ-CHWSQXEVSA-N 310.398 -0.336 30 20 DBED N#CCNC[C@@H]1CN(C(=O)CNC(=O)C2CCC2)CCCO1 1202146814 AXKBSTXAKAIJCD-CYBMUJFWSA-N 308.382 -0.367 30 20 DBED N#CCNC(=O)CNCC1CCN(C(=O)CC2(O)CCC2)CC1 1205189287 TYMGJXWZBHQUOZ-UHFFFAOYSA-N 322.409 -0.241 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)c2ccn(C)n2)CC1 1206927703 LJSJKPAQKSRGTB-UHFFFAOYSA-N 317.393 -0.389 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)C[C@H]1CCN(C)C1 1210298302 ODALNEJYQVAHJN-MGPQQGTHSA-N 321.425 -0.596 30 20 DBED C=CCOCCN1C[C@@H](NC(=O)[C@H](C)NC(C)=O)[C@H](OC)C1 1211810281 MYJNRZZOFUVJNF-IACUBPJLSA-N 313.398 -0.471 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@H]1C 1215571241 GSRQMBUWHMXATE-MCIONIFRSA-N 308.426 -0.488 30 20 DBED CCn1cnc(C(=O)N2C[C@@H](NCC(=O)NCC#N)[C@H](C)C2)c1 1216413911 WYBAKPPNQMLFBZ-VXGBXAGGSA-N 318.381 -0.407 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CCNC(=O)NC 1217815588 WEQUAXKJINZLLX-QWHCGFSZSA-N 308.382 -0.760 30 20 DBED CCn1cc(CCN2C[C@H](O)[C@H](NC(=O)[C@@H](C)C#N)C2)cn1 1219379258 PMUHQTIKNZLSBL-YUTCNCBUSA-N 305.382 -0.234 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 1219418253 UGEARLBDPPHMPM-KGLIPLIRSA-N 304.350 -0.136 30 20 DBED CCN1CC[C@@H](N2C[C@H](O)[C@H](NC(=O)C#CC(C)C)C2)C1=O 1219587324 ANPSZJDHIIRRMU-MCIONIFRSA-N 307.394 -0.572 30 20 DBED C=C(C)C[C@H](C)C(=O)N[C@@H]1CN(Cc2nnnn2C)C[C@@H]1O 1220190672 ULPUPWPRQTUYMQ-TUAOUCFPSA-N 308.386 -0.526 30 20 DBED C=CCOCCN1CC[C@@H]2CN(C(=O)[C@H]3COC(=O)N3)[C@@H]2C1 1221517674 HDPZHEJOXSXMHQ-JHJVBQTASA-N 309.366 -0.170 30 20 DBED Cc1c[nH]nc1C(=O)NCC1CCN(CC(=O)NCC#N)CC1 1223114605 ORFJMSYZJMVTEW-UHFFFAOYSA-N 318.381 -0.200 30 20 DBED COCC#CCN[C@@H]1CCCC[C@H]1NC(=O)CS(C)(=O)=O 1225159106 AJQAKBROMSRFHZ-CHWSQXEVSA-N 316.423 -0.302 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)Cc1nc[nH]n1 1229623861 FCBOHXLCTGBBHV-VXGBXAGGSA-N 320.397 -0.334 30 20 DBED C=CCCN1CCC(NC(=O)[C@@H](CCC(N)=O)NC(C)=O)CC1 1229626526 XRBLUWORFUASNR-CQSZACIVSA-N 324.425 -0.087 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CN1CCCC1 1230141940 XVABTDJRVBJHBI-HUUCEWRRSA-N 320.437 -0.151 30 20 DBED N#CCN1CCS(=O)(=O)[C@@H](CCNC(=O)c2ncc[nH]2)C1 1230460973 VVSYCXCCZWMUKX-JTQLQIEISA-N 311.367 -0.848 30 20 DBED C=CCOCCN1CCC(NC(=O)C[C@@H]2CC(=O)NC2=O)CC1 1230475711 QCMVLPFKOSKFMH-GFCCVEGCSA-N 323.393 -0.178 30 20 DBED Cc1nc(C(=O)N(C)C[C@@H]2CCN2CC(=O)NCC#N)co1 1233867041 XFGKOQPUEOUWLX-NSHDSACASA-N 305.338 -0.231 30 20 DBED C=CCNC(=O)NC(=O)CN(C)CCCNC(=O)c1cc[nH]n1 1234244043 NEAAOQRMFCBCHB-UHFFFAOYSA-N 322.369 -0.527 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)[C@@]12COC[C@@H]1C2 1234401531 FWAOFQCJBAFDPT-XEZPLFJOSA-N 305.378 -0.695 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)c1cnnc(O)c1 1235603146 UNYQELWSFCVMMP-GFCCVEGCSA-N 317.349 -0.922 30 20 DBED Cn1cc([C@H](CO)NC(=O)NC2CCN(CC#N)CC2)cn1 1319516354 WTWILPCEVQDAFX-ZDUSSCGKSA-N 306.370 -0.259 30 20 DBED CNCCCc1[nH]nc(NC(=O)CN2CCCNC2=O)c1C#N 1319759655 BXIMEWDWYPFQQH-UHFFFAOYSA-N 319.369 -0.213 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCc1nnc(C)n1C 1322021544 SICTZPRICNNEAD-YPMHNXCESA-N 321.381 -0.163 30 20 DBED COC(=O)C1CCC(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)CC1 1326499763 SXRDSYKVHYQANL-MCIGGMRASA-N 323.349 -0.415 30 20 DBED C[C@H](NC(=O)C(=O)NCc1nnn(C)n1)c1ccc(C#N)cc1 1326738426 PNYONOUJRLDREO-VIFPVBQESA-N 313.321 -0.425 30 20 DBED C#CCC[C@H](O)CNC(=O)c1cn(C)c2c(cnn2C)c1=O 1327660883 CAIJJTHMRKMCGT-JTQLQIEISA-N 302.334 -0.224 30 20 DBED COC(=O)COCCNC(=O)C(=O)Nc1ccc(C#N)cn1 1330079418 XDIXZNRQQCHFPM-UHFFFAOYSA-N 306.278 -0.802 30 20 DBED C=C(CO)C(=O)N1[C@H](C)SC[C@H]1C(=O)NCCC(=O)OC 1331644798 OQPDNHMBSRHQEI-UWVGGRQHSA-N 316.379 -0.496 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](n3ccnn3)C2)CCO1 1332003327 SRJUSLXOHSMAHX-VXGBXAGGSA-N 318.337 -0.807 30 20 DBED C#CC[C@H](CO)NC(=O)[C@@H]1CS(=O)(=O)C[C@H]1C(F)(F)F 1332364445 CUHABWVCELKKMX-IWSPIJDZSA-N 313.297 -0.290 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCCNC(=O)C1 1332748445 RMXHZHQEIQTFDS-YPMHNXCESA-N 309.366 -0.568 30 20 DBED C#CCN1CCC[C@@H](NC(=O)N2C[C@H]3C(=O)N(C)C(=O)[C@H]3C2)C1 1333214848 JUCOBWPEMAOXPX-UPJWGTAASA-N 318.377 -0.660 30 20 DBED C=CCn1c([C@@H](C)O)nnc1N1CCO[C@@H](CNC(C)=O)C1 1339584532 ZOKLMSSONSTJGK-PWSUYJOCSA-N 309.370 -0.141 30 20 DBED C=CCn1c(CC(C)(C)O)nnc1N1CCO[C@@H](C(=O)NC)C1 1341989167 ALMUNERCAIDVDI-LLVKDONJSA-N 323.397 -0.271 30 20 DBED C=CCn1cc(CNC(=O)[C@H](CCSC)NC(N)=O)nn1 1348354195 LHJUJXRPBKQZLI-JTQLQIEISA-N 312.399 -0.130 30 20 DBED C=CCn1c(C[C@H](C)O)nnc1N1CCN(C(=O)NC)CC1 1351705699 YPEUGYTUCVVNQW-NSHDSACASA-N 308.386 -0.151 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)NCCCCCCN)CCN1C1CC1 1353047899 IQURTIBVIPXCCL-AWEZNQCLSA-N 321.425 -0.180 30 20 DBED C[C@H](C(=O)NC[C@@H]1CCCS(=O)(=O)C1)n1cnc(C#N)n1 1361484100 ZQNHILBERFMCJZ-ZJUUUORDSA-N 311.367 -0.348 30 20 DBED C[C@@H](C(=O)N1CCc2nn(C)c(=O)cc2C1)n1cnc(C#N)n1 1362039810 DYSISGLNDOFGDN-VIFPVBQESA-N 313.321 -0.611 30 20 DBED Cn1c(C#N)ccc1C(=O)N1CCC(O)(c2nn[nH]n2)CC1 1362385184 GJQQSEXPDNDPFQ-UHFFFAOYSA-N 301.310 -0.466 30 20 DBED COC1(CCNC(=O)Cn2cc(C#N)c(O)nc2=O)CCC1 1363150836 HAKZIPQRUXTBIP-UHFFFAOYSA-N 306.322 -0.104 30 20 DBED CNS(=O)(=O)CCn1c(=O)c(C#N)c(C)n(C2CC2)c1=O 1363760826 JCROMWAXIOVYKW-UHFFFAOYSA-N 312.351 -0.926 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)CCc1cnccn1 1376679786 WZLQBKFKRFFFKV-CMPLNLGQSA-N 305.338 -0.838 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H](CNC(=O)CN2CCOCC2)C1 1386376485 JJUXLEUAQUGWFV-KGLIPLIRSA-N 322.409 -0.167 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@@H](O)CNC(=O)[C@@H]2CCOC2)c1 1410075356 FNFTZDOYQCTDQR-MNOVXSKESA-N 306.322 -0.870 30 20 DBED CCNC(=O)NC(=O)CNC[C@H](C)NC(=O)c1cc(C#N)c[nH]1 1420397768 YKMXNGQNDUYIOU-VIFPVBQESA-N 320.353 -0.560 30 20 DBED Cc1ccc(C(=O)N(C)C[C@@H](O)CNC(=O)[C@H](C)C#N)c(O)n1 1425881548 NIFRPSBXWFKIFT-KOLCDFICSA-N 320.349 -0.196 30 20 DBED C[C@@H](CNC(=O)c1c[nH]c(C#N)c1)NC(=O)CNC(=O)C1CC1 1447867748 LJWLXEWKVKIKEP-VIFPVBQESA-N 317.349 -0.353 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](C1CC1)N(C)C(=O)CN1CCOCC1 1450811617 IMEJAEBLLZLHSO-JSGCOSHPSA-N 322.409 -0.169 30 20 DBED C[C@H](C#N)C(=O)NCCN1CCN(C(=O)COCC2CC2)CC1 1453947711 MQMFBWPYPUQCHF-CYBMUJFWSA-N 322.409 -0.167 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)c2ccc(O)nn2)C1 1454070510 UTCLDGDBBKGDJM-XPTSAGLGSA-N 319.321 -0.965 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H](CNC(=O)CCc1cnn[nH]1)C1CC1 1454220065 IQNJMZDJWZNMAW-CABZTGNLSA-N 304.354 -0.092 30 20 DBED CC(=O)N[C@@H](C)C(=O)NCC1CN(C(=O)c2cc(C#N)c[nH]2)C1 1456440608 AGYUUHLBBAVYBM-VIFPVBQESA-N 317.349 -0.401 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H](C)CNC(=O)c1cc(=O)n(C)cn1 1486910209 WTMZYZJVSNPOFE-NXEZZACHSA-N 305.338 -0.483 30 20 DBED C=CCn1c([C@H](CC)CO)nnc1N1CCO[C@@H](C(=O)NC)C1 1520473177 ZJQIMFKYNUJPQZ-VXGBXAGGSA-N 323.397 -0.099 30 20 DBED N#Cc1ncn(CC(=O)N2CCc3c(-c4nn[nH]n4)cccc32)n1 1570923245 VYSHHXZYBBCRPW-UHFFFAOYSA-N 321.304 -0.081 30 20 DBED CN(C[C@H](O)CNCc1cnn[nH]1)C(=O)c1c[nH]c(C#N)c1 1576774277 OKDSZKDLJRMZLY-GFCCVEGCSA-N 303.326 -0.773 30 20 DBED CCS(=O)(=O)C[C@H](C)Nc1cnc(C#N)c(-c2nn[nH]n2)n1 1578411952 XMROOEZDEWJAAB-ZETCQYMHSA-N 322.354 -0.237 30 20 DBED C#CCONC(=O)CNC(=O)c1ccc(-c2nn[nH]n2)cc1 1588363347 ADBQEUVQPDVPAE-UHFFFAOYSA-N 300.278 -0.723 30 20 DBED C#C[C@@H](CO)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)O 1588370989 SSJWQCYFBOLQNM-ZETCQYMHSA-N 314.275 -0.435 30 20 DBED C#C[C@@H]1COCCN1C(=O)C(=O)N[C@H]1C[C@H]2C[C@H](C(=O)O)C[C@@H]12 1588384117 VVFUGSBONJEZQE-MLGHIDQZSA-N 320.345 -0.538 30 20 DBED C#CC[C@H](NC(=O)c1ccnc2c(C(N)=O)cnn12)C(=O)O 1588417190 ZRTQUYDLTKXBCH-QMMMGPOBSA-N 301.262 -0.966 30 20 DBED C=CCN(C)C[C@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 1588625913 AYQSZAKTXPDBEU-NSHDSACASA-N 319.369 -0.255 30 20 DBED CCN(CCCNC(=O)c1cnsn1)CC(=O)NCC#N 1752169896 VCGIXZSPAKBXCT-UHFFFAOYSA-N 310.383 -0.380 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NCCOCCO)C1 1752739059 AOJZEGXKQXCTJF-ZNMIVQPWSA-N 309.410 -0.670 30 20 DBED C=C(Br)CNCCN(C)C(=O)Cn1ncnn1 1753188913 DHVSTJLCQJXOJY-UHFFFAOYSA-N 303.164 -0.370 30 20 DBED C#CCNC(=O)[C@@H](C)N1[C@H]2CC[C@H]1CN(C(=O)[C@H](C)C#N)C2 1753304395 CMPMEYVEXATOPS-MQYQWHSLSA-N 302.378 -0.041 30 20 DBED C#CCN1CCN(CCN(C)C(=O)[C@@H]2CCN(C)C2=O)CC1 1753343583 WCIRXQYLJPOQCQ-CQSZACIVSA-N 306.410 -0.826 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C[C@H]1CN2C(=O)CCOCC1CC1 1753421037 UAYPOZZYGBBWSO-GJZGRUSLSA-N 319.405 -0.162 30 20 DBED C#CCN1C[C@@H]2C[C@H]1CN2C(=O)CN(C)CC(=O)NC(C)C 1753423812 ZQNFYRRQHSYZOJ-KBPBESRZSA-N 306.410 -0.639 30 20 DBED COCC(C)(C)C(=O)N1CCC[C@@H]1CNCC(=O)NCC#N 1753601117 PHBDNSRDBVSGHT-GFCCVEGCSA-N 310.398 -0.121 30 20 DBED COCC#CCN[C@H]1CCN(C(=O)CN2CCOCC2)C[C@H]1C 1753753080 MAZIBKGDOACUAO-CVEARBPZSA-N 323.437 -0.205 30 20 DBED CC#CCNC[C@H](O)CNC(=O)c1cc(O)nc(C2CC2)n1 1753913924 DDSDBWDMDANGRR-NSHDSACASA-N 304.350 -0.237 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCN(C)C(=O)[C@@H]1COC(=O)N1 1754368574 LVNKHUCZMSHBFZ-MNOVXSKESA-N 312.370 -0.776 30 20 DBED C=CCNC(=O)CN1CC(N(C)C(=O)[C@H](CC)NC(C)=O)C1 1754582307 XSLQFDOPWROKGE-ZDUSSCGKSA-N 310.398 -0.654 30 20 DBED C=CCCCN1CC(N(C)C(=O)CS(=O)(=O)N(C)C)C1 1754586020 KHNONWCXLKGEKE-UHFFFAOYSA-N 303.428 -0.013 30 20 DBED C=CCCCNC[C@@H]1CCCN1C(=O)Cn1cnc(C(N)=O)n1 1754609713 LZAUQDSBHLNQGF-LBPRGKRZSA-N 320.397 -0.076 30 20 DBED C#CCCNC[C@@]1(C)CCN(C(=O)CN(C)S(C)(=O)=O)C1 1754697454 PYJCSRCCDQYMTH-CQSZACIVSA-N 315.439 -0.271 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H]2CN(C(=O)COC(C)C)C[C@H]2C1 1754839919 IZLZKQITSRJIKA-KFWWJZLASA-N 321.421 -0.061 30 20 DBED C#CCN1C[C@H]2CN(C(=O)CCCN3C(=O)CCC3=O)C[C@H]2C1 1754842466 IBWICIHSYOBEBW-OKILXGFUSA-N 317.389 -0.061 30 20 DBED C#CCNC(=O)CN1CCC[C@@](CO)(NC(=O)CCCC)C1 1754851402 MBTHDBZCSUAFKR-MRXNPFEDSA-N 309.410 -0.131 30 20 DBED C#CCNCC[C@H]1CCN(C(=O)CN(C)S(=O)(=O)CC)C1 1754937915 MMFKATXBSDZQGF-ZDUSSCGKSA-N 315.439 -0.271 30 20 DBED N#CCNC(=O)CNC[C@H]1CN(C(=O)c2cccnc2)CCO1 1754997056 VOQIEXQNEMDQCL-ZDUSSCGKSA-N 317.349 -0.848 30 20 DBED CN(C)c1cnc(C(=O)N2CCC[C@@](CO)(NCC#N)C2)cn1 1755083558 UCBISGSHYMJBGK-OAHLLOKOSA-N 318.381 -0.377 30 20 DBED C#CCCN[C@@]1(CO)CCCN(C(=O)C[C@H]2CCN(C)C2=O)C1 1755086249 QCDQWOHBPHMQLZ-PBHICJAKSA-N 321.421 -0.179 30 20 DBED C#CCNC(=O)CN[C@H](C)[C@@H](C)NC(=O)Cn1ccccc1=O 1755267148 KHHVAWCRUVKWAE-CHWSQXEVSA-N 318.377 -0.920 30 20 DBED C#CCN1CC(CCO)(NC(=O)c2cc3n(n2)CCCO3)C1 1755333865 LPJKELKGCYHRGO-UHFFFAOYSA-N 304.350 -0.535 30 20 DBED C=C(C)CCC(=O)N[C@@H](C)[C@H](C)NC(=O)CN1C(=O)CNC1=O 1755973987 JPXNLPFIZLHIBM-QWRGUYRKSA-N 324.381 -0.096 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@H](CO)NC(=O)c1cc(C)ncn1 1756515667 NOXPXGPEKYKRLD-XHDPSFHLSA-N 322.365 -0.681 30 20 DBED C=C(C)CCC(=O)NC[C@@H](CO)NC(=O)c1cnn(C)c1OC 1756527246 FNJBXHJTCLYGBZ-NSHDSACASA-N 324.381 -0.008 30 20 DBED C=CCC(C)(C)C(=O)N[C@H](CO)CNC(=O)[C@@H]1CCNC1=O 1756539971 IISAXLIQLDHSBM-WDEREUQCSA-N 311.382 -0.682 30 20 DBED C[C@@H]1[C@@H](NC(=O)CC(N)=O)CCCN1C(=O)c1cc(C#N)c[nH]1 1756624085 URHFYCQNENDQPJ-KOLCDFICSA-N 317.349 -0.129 30 20 DBED CCN(C(=O)Cn1ncnn1)[C@H](C)CNC(=O)C#CC1CC1 1756852971 KEPWWTTVCUUOQN-LLVKDONJSA-N 304.354 -0.560 30 20 DBED C[C@H](CN)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CC1 1795408392 ZQCFABLQSNGCCW-FVCCEPFGSA-N 320.393 -0.525 30 20 DBED C[C@@H](S)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)COCCO 1800153115 LYBCREFOUHIBMH-WISYIIOYSA-N 316.423 -0.048 30 20 DBED C=CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1nccn1)C2 1801002438 WGWYRPPQBRMRLV-JJLQDPRZSA-N 319.365 -0.556 30 20 DBED CN1CC(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C#CC(=O)O)C3)C1 1803319366 OIFOXUOXNPQKAO-CLLJXQQHSA-N 319.361 -0.726 30 20 DBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)CC(C)(C)O)C2)C1 1839806945 NRUDORAWIZPHDS-INIZCTEOSA-N 324.377 -0.763 30 20 DBED C=CCC[C@@H](O)CN(C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 122874113 HHHZNGJTADZBKS-VXGBXAGGSA-N 304.412 -0.451 30 20 DBED C/N=C(/NCCN1CCCS1(=O)=O)N1CC[C@H](COC)C1 262496258 WNFWBVASHZXSCM-LBPRGKRZSA-N 318.443 -0.434 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)N[C@]2(CCO)CCOC2)cc1 278053763 JJYHGSYKVDTBQX-MRXNPFEDSA-N 317.345 -0.054 30 20 DBED C=CCSCCNC(=O)CCn1cc(S(N)(=O)=O)cn1 299565679 MLSUVWAGIXJOLG-UHFFFAOYSA-N 318.424 -0.044 30 20 DBED CN(CCN1CCOCC1)/C(O)=N/[C@@H]1CCCS(=O)(=O)C1 329768748 DWOHFVJDCCGOCH-GFCCVEGCSA-N 319.427 -0.258 30 20 DBED CN(C)C(=O)CN1CCC(/N=C(/O)N[C@@H]2[C@H]3COC[C@H]32)CC1 329998506 SJZKGLQONOFUOM-IMRBUKKESA-N 310.398 -0.313 30 20 DBED CC[C@@H]1CN(C(=O)Cn2cnc(C#N)n2)CCN1C[C@H](C)O 331183173 ZZFSQZMGGOOOCP-NWDGAFQWSA-N 306.370 -0.547 30 20 DBED C=CCNC(=O)NC(=O)CN1CCS(=O)(=O)[C@@H](C)[C@@H]1C 334038832 HHQHVLSKMZVOAA-UWVGGRQHSA-N 303.384 -0.494 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCOC[C@@H]1C(=O)OC 337064061 JBJPBJLGDDAXAY-WDEREUQCSA-N 319.383 -0.413 30 20 DBED CCOC1CC(O)(CNS(=O)(=O)N(C)C[C@@H](C)C#N)C1 337188560 QITMTUOZKHRRPP-UNXYVOJBSA-N 305.400 -0.158 30 20 DBED COCCN([C@@H](C)C(N)=O)S(=O)(=O)N(C)[C@@H](C)CC#N 337836153 UMFJDPSSVCVHAH-UWVGGRQHSA-N 306.388 -0.713 30 20 DBED COCCN1CN([C@H](C(N)=O)c2ccc(C#N)cc2)CC1=O 338341187 CACLIPFTOZJUEX-AWEZNQCLSA-N 302.334 -0.167 30 20 DBED N#CCCn1ccc(NC(=O)C(=O)N2CCOC3(CCC3)C2)n1 346000747 ZSPJIUBCNMNXEC-UHFFFAOYSA-N 317.349 0.517 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@H](O)C[C@@H]2C)C1=O 346713516 GQKHWTYRDFGLIX-UWVGGRQHSA-N 309.322 -0.665 30 20 DBED C=CCOC[C@@H]1NC(=O)N(Cc2ccc(C(N)=O)nc2)C1=O 348622371 WLFHCMOJLRNGLL-NSHDSACASA-N 304.306 -0.197 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](CO)C/C=C\C)C1=O 354187937 ISLRNKZAWBGEGI-ATPLWMGHSA-N 309.322 -0.594 30 20 DBED CC[C@@](C)(C#N)C(=O)N1CCN(CCS(N)(=O)=O)CC1 354386116 CGRWAVXMZHIGRW-LBPRGKRZSA-N 302.400 -0.641 30 20 DBED N#CCNC(=O)CNC(=O)N1CCC[C@H]1CN1CCOCC1 358312217 LLVXWIBXOGRPRU-LBPRGKRZSA-N 309.370 -0.868 30 20 DBED N#CCNC(=O)CNC(=O)N1CCc2ccccc2[C@@H]1CO 358313141 NETFCXPYNGZIKS-ZDUSSCGKSA-N 302.334 -0.073 30 20 DBED C=CCNC(=O)CNS(=O)(=O)[C@H]1CCC[C@@H]1C(=O)OC 360135251 ZEQVBLNASLPQCM-UWVGGRQHSA-N 304.368 -0.450 30 20 DBED N#CCNC(=O)CNC(=O)CCN1C(=O)COc2ccccc21 376197646 MAPBDHMQFQUBEA-UHFFFAOYSA-N 316.317 -0.442 30 20 DBED COCCN(CCC#N)S(=O)(=O)N(C)CCCC(=O)O 417424208 UIWSXOOHBOPSMD-UHFFFAOYSA-N 307.372 -0.110 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2CNC[C@@H]21 418830336 OFXHLGUCNLEIML-MQYQWHSLSA-N 307.394 -0.096 30 20 DBED CC(C)(N)CNC(=O)C(=O)NCCOc1ccc(C#N)cc1 419462554 JRLPJJSUSSJBMH-UHFFFAOYSA-N 304.350 -0.093 30 20 DBED COCCCS(=O)(=O)NCC(=O)N[C@@H]1CC[C@H](C#N)C1 424966192 LUIQZNZFBWFRKQ-WDEREUQCSA-N 303.384 -0.249 30 20 DBED C=C(CC)CNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 456828705 MYQGNUAYFZLLKG-UHFFFAOYSA-N 305.338 -0.484 30 20 DBED CNC(=O)N[C@H]1CCN(S(=O)(=O)c2cnc(C)c(C#N)c2)C1 489634415 DBIWDPOJWAUPCG-NSHDSACASA-N 323.378 -0.046 30 20 DBED C#CCN1CCN(C(=O)CN2CC[C@@](C)(C(=O)NC)C2)CC1 491289383 YQJCUDJYJKPBOJ-MRXNPFEDSA-N 306.410 -0.778 30 20 DBED C#CCN1CCN(C(=O)CN[C@H](C(=O)N(C)CC)C(C)C)CC1 491297153 PCTFFQVTGVUHOR-INIZCTEOSA-N 322.453 -0.144 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2cnc(Cl)cn2)CC1 491639307 WQWJDFNIMABSKP-UHFFFAOYSA-N 321.768 -0.363 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)CC2(COC)CC2)CC1 491767537 HQBLTMMVLLEEGL-UHFFFAOYSA-N 307.394 -0.303 30 20 DBED C[C@@H]1OC(=O)N[C@H]1C(=O)N(CCC#N)CCN1CCOCC1 496095509 ZTDWLTAAJFXWCB-NWDGAFQWSA-N 310.354 -0.442 30 20 DBED CC#CCCNC(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1 542672695 XBCGOUOBSAAZJJ-UHFFFAOYSA-N 313.335 -0.814 30 20 DBED C[C@@H](NC(=O)Cn1cnc(C#N)cc1=O)C(=O)N1CCCCC1 565833069 KELPMIGQNLNPTR-LLVKDONJSA-N 317.349 -0.368 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)NCCn1cc(C(=O)O)nn1 572411246 IJNUULCAPKABSC-QMMMGPOBSA-N 316.343 -0.955 30 20 DBED COC1CN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1 589413610 CKTKUKGNGLGUJT-UHFFFAOYSA-N 309.347 -0.306 30 20 DBED C[C@@H]1CC[C@H](C(=O)O)N1S(=O)(=O)N1CCO[C@H](C#N)C1 593222834 WQYHPJINOSMMIC-OPRDCNLKSA-N 303.340 -0.607 30 20 DBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1cnn(C[C@H](O)CO)c1 614375681 VBQKSUJSSPRTRO-UBHSHLNASA-N 309.366 -0.053 30 20 DBED C=C[C@H](O)C(=O)N1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 614903533 SSNKSKZHLJMLLA-JQWIXIFHSA-N 302.396 -0.146 30 20 DBED C=CCS(=O)(=O)CCNC(=O)[C@@H]1CCCCS1(=O)=O 753744454 ORRQXYAKGMMMDW-JTQLQIEISA-N 309.409 -0.329 30 20 DBED C#CCOCCNC(=O)[C@@H](O)[C@H](O)c1nc2ccccc2[nH]1 779840944 UBOQKIYAXBPCRW-STQMWFEESA-N 303.318 -0.277 30 20 DBED C#CCOCCNC(=O)C(=O)Nc1c(C)nn(CCOC)c1C 785155985 DILPKKHDINZXSS-UHFFFAOYSA-N 322.365 -0.149 30 20 DBED C#CCCN1CCN(C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)CC1 790165276 VYOKADXIVYENTI-CYBMUJFWSA-N 313.423 -0.134 30 20 DBED C#CCOCCNC(=O)N(C)[C@@H]1CCN(S(C)(=O)=O)C1 813711130 LURFFPSQZDMLOF-LLVKDONJSA-N 303.384 -0.689 30 20 DBED Cn1cnn(CCC(=O)[C@H](C#N)C(=O)Nc2ccccn2)c1=O 815915208 HILWUASUZZPTDF-JTQLQIEISA-N 314.305 -0.286 30 20 DBED C=C[C@H](CO)NC(=O)Nc1ccn(CCS(C)(=O)=O)n1 821352957 RAZOKUDXQPLQHE-SECBINFHSA-N 302.356 -0.404 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](C)CSC)CC1 831560495 AKIBELOZMYLTFN-LLVKDONJSA-N 319.452 -0.403 30 20 DBED C/N=C(/NCCN=c1cc[nH]cc1)NCCN1CCOCC1 848995374 OUQMATWSUCBPQH-UHFFFAOYSA-N 306.414 -0.587 30 20 DBED C#CC[C@@H](CO)NC(=O)CNC(=O)c1cc(OC)cc(OC)c1 854547946 MCNJXSRMKOULFQ-LBPRGKRZSA-N 320.345 -0.066 30 20 DBED C#CCCN1CCN(C(=O)Cn2cc(C(=O)OC)cn2)CC1 859003780 UMAAFGXWWOPXFV-UHFFFAOYSA-N 304.350 -0.163 30 20 DBED C#CC1(O)CN(C(=O)NCCCN(CC)S(C)(=O)=O)C1 892200198 DSEFBOBTMUBMOV-UHFFFAOYSA-N 303.384 -0.953 30 20 DBED C#CC1(O)CN(C(=O)NCCS(=O)(=O)NCC2CCC2)C1 892927180 BHMPBAGOUKMLBU-UHFFFAOYSA-N 315.395 -0.905 30 20 DBED C=C1CN(C(=O)c2cc(C)c3c(=O)n(C)c(=O)n(C)c3n2)C1 898696866 LCZVFYCKBVQOSF-UHFFFAOYSA-N 300.318 -0.047 30 20 DBED Cc1nn[nH]c1C(=O)N1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 937853770 RZKRMRFFUMWJPS-JTQLQIEISA-N 313.321 -0.043 30 20 DBED N#Cc1cc(C(=O)N2CC[C@H](NC(=O)[C@H]3COC(=O)N3)C2)c[nH]1 937891606 IOXUGLRYFKIKKY-GXSJLCMTSA-N 317.305 -0.675 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2cn[nH]c2)C1 941237636 DKMHLQFSIUDZPY-KGLIPLIRSA-N 315.377 -0.162 30 20 DBED N#Cc1cc(C(=O)NC[C@H]2CCCN2C(=O)CC(N)=O)c[nH]1 943919625 KCVRBVXZBULWQP-LLVKDONJSA-N 303.322 -0.517 30 20 DBED CC#CCN1CCC[C@@H](N(C)C(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 948820997 WLNUTMLCVCFQFX-OLZOCXBDSA-N 320.393 -0.079 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCN([C@H](C)C(=O)N(C)C)CC1 948825837 UKVSWXDDHSOUJE-CABCVRRESA-N 320.437 -0.295 30 20 DBED CNC(=O)[C@H](C)N1CCC2(CC1)CN(C(=O)[C@H](C)C#N)CCO2 949053733 HIZJRWVDGFLHRW-OLZOCXBDSA-N 322.409 -0.026 30 20 DBED C[C@H](C#N)C(=O)N1CC(N(C)C(=O)c2cc(C(N)=O)c[nH]2)C1 955120900 VCBDAKNRVYVENO-MRVPVSSYSA-N 303.322 -0.444 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H]1CNC(=O)c1cnn(C)c1N 956188974 OVGBRPFZCYLLFJ-UWVGGRQHSA-N 304.354 -0.117 30 20 DBED CCc1c(C(=O)NC[C@@H]2CN(CC#N)C[C@H]2O)nnn1CC 958404709 PNMNQMMLOFSOSJ-ZYHUDNBSSA-N 306.370 -0.594 30 20 DBED N#CCN1C[C@@H](O)[C@H](CNC(=O)c2csc3cncn23)C1 958454008 SCDCGWHRKOUNNV-MWLCHTKSSA-N 305.363 -0.058 30 20 DBED N#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cc3c(cn2)OCCC3)C1 958630651 KCCLDUTWPWZKOF-GXTWGEPZSA-N 316.361 -0.047 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1COCCN1C 968868338 YLTLHQIZAVZSPO-FQUUOJAGSA-N 320.393 -0.322 30 20 DBED C#CCCN1CCCCC[C@H]1CNC(=O)[C@@H]1CC(=O)NC(=O)N1 969053909 NWFQTIVUPSWCMY-STQMWFEESA-N 320.393 -0.031 30 20 DBED Cc1ncccc1C(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1O 969729486 IYYWKOXJNYESJR-BIMULSAOSA-N 302.334 -0.149 30 20 DBED Cn1nnnc1CN1C[C@H]2CC[C@H]1CN2C(=O)C#CC1CC1 971365558 CVAZFPLSTDBOIO-QWHCGFSZSA-N 300.366 -0.201 30 20 DBED C#CCN(C)[C@H]1CCN(C(=O)CCc2nnc(O)nc2O)C1 971852435 BIFPZBRZDGQYLN-JTQLQIEISA-N 305.338 -0.619 30 20 DBED O=C1N[C@@H](C(=O)N2C[C@H]3CCN(C(=O)C#CC4CC4)C[C@H]32)CO1 971995153 QCVXVMBSBJQCLV-JHJVBQTASA-N 317.345 -0.433 30 20 DBED C#Cc1ccc(C(=O)N2C[C@H]3CCN(C(=O)C(N)=O)C[C@H]32)cc1 974702771 QGVXBDRONDXHTH-ZIAGYGMSSA-N 311.341 -0.174 30 20 DBED C[C@@H]1CCN(C(=O)C(=O)N[C@H]2[C@@H]3CN(C(=O)[C@H](C)C#N)C[C@@H]32)C1 977228912 ADEKKFVUQCPXHF-KVSVUVNWSA-N 318.377 -0.413 30 20 DBED C#CCN1C[C@@H]2C(CNC(=O)c3ccc4nnc(O)n4c3)[C@H]2C1 978857051 PNGMZARTLBONJC-CHWSQXEVSA-N 311.345 -0.024 30 20 DBED O=C1CC[C@@H](C(=O)NC[C@H]2CCN(C(=O)C#CC3CC3)C2)CN1 982740697 ZOZVHFYBCIRGRL-ZIAGYGMSSA-N 317.389 -0.109 30 20 DBED COc1c(O)nc(O)nc1C(=O)N1CC[C@@H](NCC#N)[C@@H]1C 987347787 BGQAKIVOSXQFJV-JGVFFNPUSA-N 307.310 -0.387 30 20 DBED C=CCn1cc(C(=O)N2CC(NC(=O)C[C@H]3CCOC3)C2)nn1 990579259 WRNHDOSFYKRUMF-LLVKDONJSA-N 319.365 -0.169 30 20 DBED C[C@H](C#N)C(=O)N1CC(NC(=O)C[C@@H]2CCCCC(=O)N2)C1 997231897 GXNOUCCTDCYPMY-MNOVXSKESA-N 306.366 -0.078 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)Cc2n[nH]c(C)n2)C1 1000009028 LBDAPHWCSVWFGQ-NEPJUHHUSA-N 319.365 -0.426 30 20 DBED N#CCN1CC[C@@H](n2cc(CNC(=O)[C@@H]3[C@H]4COC[C@H]43)nn2)C1 1000011718 XEXIYEIGRZTCPJ-MQYQWHSLSA-N 316.365 -0.443 30 20 DBED N#Cc1cc(C(=O)N2CC(CNC(=O)[C@H]3CCNC3=O)C2)c[nH]1 1003553175 HYUZVUCSQBWXQL-LBPRGKRZSA-N 315.333 -0.789 30 20 DBED C[C@H](NC(=O)c1ccc(C#N)[nH]1)C1CN(C(=O)c2cnn[nH]2)C1 1005914399 DAPURCKHPGVCCY-QMMMGPOBSA-N 313.321 -0.105 30 20 DBED C[C@@H]1C[C@H](NC(=O)c2cn(C)nn2)CN1C(=O)C#CC1CC1 1012583361 YPPFWIVZLMBOFI-PWSUYJOCSA-N 301.350 -0.052 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2cn(C)nn2)C1 1014775007 LKWKXVNUFHKNMJ-HIFRSBDPSA-N 316.409 -0.397 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CC[C@@H](C)N(C(=O)C(N)=O)C2)nc1 1018299013 PDKBSZFLUFXTML-ZYHUDNBSSA-N 314.345 -0.343 30 20 DBED Cc1nn[nH]c1C(=O)N1CC[C@H]2CN(C(=O)[C@H](C)C#N)C[C@H]21 1022334986 DMXVDKLYEJFMQX-DVVUODLYSA-N 302.338 -0.054 30 20 DBED C#CCN(C)[C@H]1CCCN(C(=O)CCc2nnc(O)nc2O)C1 1027477585 JRPBMVMGBPCUTO-NSHDSACASA-N 319.365 -0.229 30 20 DBED C=CCn1cc(C(=O)NC2CN(Cc3cnn(CC)n3)C2)nn1 1031070080 NJVMROVXUOHPRN-UHFFFAOYSA-N 316.369 -0.310 30 20 DBED CC#CCN1CC(CNC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 1031671610 KMRORULMUOKUQZ-CYBMUJFWSA-N 315.377 -0.166 30 20 DBED COc1cc(OC)nc(C(=O)NC[C@@H]2CN(CC#N)CCO2)n1 1035414592 RVRBOYDZQPOWHM-SNVBAGLBSA-N 321.337 -0.552 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)[C@@H]2CCc3nnc(C)n3C2)C1 1035614193 NKQNRKCNRFEANP-KGLIPLIRSA-N 317.393 -0.401 30 20 DBED C#CCCN1CC2(CCN(C(=O)CN3CCNC(=O)C3)CC2)C1 1035764763 LRJAPFHNBPUOQD-UHFFFAOYSA-N 318.421 -0.634 30 20 DBED C#CCN[C@@H]1CCN(C(=O)Cn2ccc(O)nc2=O)C[C@@H]1CC 1037879267 YFDOERJMNYPMJV-QWHCGFSZSA-N 318.377 -0.201 30 20 DBED CCc1n[nH]cc1C(=O)N1CC[C@](O)(CNC(=O)[C@H](C)C#N)C1 1040768219 ANMQHAFCOFPZAN-BMIGLBTASA-N 319.365 -0.175 30 20 DBED Cc1cc(C(=O)N[C@@H]2CN(c3ccncc3C#N)C[C@H]2O)n[nH]1 1040949453 NNEMITVGWOHHHJ-TZMCWYRMSA-N 312.333 -0.036 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(O)(CNC(=O)c2cc[nH]n2)C1 1041607377 WSTOEJKKGKRZIP-PWSUYJOCSA-N 320.349 -0.696 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)c2cncnc2C)C1 1041679970 FQCBAZXZUIBRFH-UHFFFAOYSA-N 316.361 -0.108 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)CCC2CC2)C1 1042187055 MGJQVYCFHWKAFT-GFCCVEGCSA-N 308.378 -0.096 30 20 DBED C#CCCCCC(=O)NCC1(O)CN(C(=O)c2cccnn2)C1 1042658221 ACKGUZJHLWILQK-UHFFFAOYSA-N 316.361 -0.027 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)Cc2ccoc2)C1 1042737746 AIJKREOUEHDCDL-LBPRGKRZSA-N 320.345 -0.450 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(O)CN(C(=O)c2cccnc2)C1 1042809577 NZSOKVOCLYGOOH-OAHLLOKOSA-N 319.361 -0.288 30 20 DBED CC#CCN1CC(N(C)C(=O)[C@@H]2CC(=O)N(CCOC)C2)C1 1042834994 JQNTYVHKKGIFAE-CYBMUJFWSA-N 307.394 -0.353 30 20 DBED C[C@@H]1CC[C@H](C(=O)N2CC(O)(CNC(=O)C#CC3CC3)C2)O1 1042963677 RKGOYPPLBSNXIF-DGCLKSJQSA-N 306.362 -0.343 30 20 DBED CN1CCCC[C@@H]1C(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042964501 HEQVUIOQQHNXHR-CQSZACIVSA-N 319.405 -0.426 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)CSC)C1 1043041337 HGSGANBYQRVUFI-SNVBAGLBSA-N 300.380 -0.923 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)CN2CCC[C@H]2C)C1 1045552179 QKZHNQGLLMCTSP-VXGBXAGGSA-N 308.382 -0.680 30 20 DBED C[C@]1(NC(=O)C2CC3(C2)CS(=O)(=O)C3)CCN(CC#N)C1 1046419721 ZAEOHBVRAWLJBX-ZDUSSCGKSA-N 311.407 -0.085 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCN(C(=O)CC)C2)C1 1047588116 HTTKVSZPLJPDDQ-ILXRZTDVSA-N 321.421 -0.228 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CCCCC(=O)N2)C1 1047609489 HHWODKVXGPDSSE-KKUMJFAQSA-N 321.421 -0.038 30 20 DBED CN(C(=O)c1ccc2nn[nH]c2c1)[C@H]1CN(CC#N)C[C@@H]1O 1047624544 QIEFMDFDQMMMHE-STQMWFEESA-N 300.322 -0.401 30 20 DBED CCCC(=O)NCC(=O)N(C)[C@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1O 1048439578 IOLVTCPMBNPSCN-SRVKXCTJSA-N 324.381 -0.908 30 20 DBED C=C[C@](C)(O)CC(=O)N(C)[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 1048762292 RKGNWLCHMXLYTR-ZQIUZPCESA-N 320.389 -0.243 30 20 DBED N#CCN1C[C@H]2CN(C(=O)[C@H]3CN4CCC[C@@H]4CO3)C[C@H]2C1 1048833293 NCQHRPLCOZHJLU-LXTVHRRPSA-N 304.394 -0.237 30 20 DBED CC#CCN1C[C@H]2CN(C(=O)CCN3C(=O)CCC3=O)C[C@H]2C1 1048923491 ACHODNWUSPECRO-OKILXGFUSA-N 317.389 -0.061 30 20 DBED C=CCOCC(=O)N1CC[C@@H]([C@@H](C)NC(=O)CNC(N)=O)C1 1050297553 NLZJRQDEIRKYPH-GHMZBOCLSA-N 312.370 -0.790 30 20 DBED CC#CCN1CCOC[C@H]1CNC(=O)c1cn2c(n1)COCC2 1050981916 NALJNNFWQMALBJ-CYBMUJFWSA-N 318.377 -0.133 30 20 DBED N#CCN1CCN([C@H]2CCN(C(=O)Cc3cncnc3)C2)CC1 1052022542 WENNPTVFGRFNMU-HNNXBMFYSA-N 314.393 -0.239 30 20 DBED N#CCN1CC2(C1)CN(C(=O)[C@H]1CCn3ccnc3C1)CCO2 1053314211 NXIGCBBDEXBTNP-ZDUSSCGKSA-N 315.377 -0.118 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)Cc3nnc(C)o3)CO2)C1 1053794886 ZWCUKTIVDZRWEH-GFCCVEGCSA-N 304.350 -0.097 30 20 DBED C=C(C)CCN1CC2(C[C@@H](NC(=O)c3nnn(C)n3)CO2)C1 1053897205 MYUJZRPCCZCGFS-LLVKDONJSA-N 306.370 -0.251 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)[C@H]3CCCC(=O)N3C)CO2)C1 1053997701 VALOVBJOVOBSKA-UONOGXRCSA-N 319.405 -0.020 30 20 DBED C=CCCC(=O)N1CCC[C@@](CO)(NC(=O)[C@@H]2CNC(=O)N2)C1 1056082693 MXFYVSOKMMCDAY-XHDPSFHLSA-N 324.381 -0.896 30 20 DBED N#Cc1cnccc1N1C[C@H]2[C@H](NC(=O)[C@@H]3COC(=O)N3)[C@H]2C1 1056193677 GTQYNFUHLHFNSY-SRRSOLGSSA-N 313.317 -0.388 30 20 DBED N#Cc1nc(=N[C@@H]2CCN(C(=O)[C@H]3CCC(=O)NC3)C2)cc[nH]1 1056817776 HFQZEHWTZWQXMC-WDEREUQCSA-N 314.349 -0.691 30 20 DBED Cc1cc(CC(=O)N(CCO)CCNC(=O)[C@@H](C)C#N)no1 1057230312 CKCKRQSYMUWRQB-JTQLQIEISA-N 308.338 -0.378 30 20 DBED N#Cc1c[nH]ccc1=NC1CCN(C(=O)Cn2cnnn2)CC1 1057282542 TUPGAQWBKZPWIR-UHFFFAOYSA-N 312.337 -0.535 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)[C@@H]1[C@H]2COC[C@H]21 1057525237 MDQOFQHFVDQZNK-NHAGDIPZSA-N 308.378 -0.525 30 20 DBED C=CCn1cc(C(=O)N(CCO)CCNC(=O)C2CC2)nn1 1057625365 BLAFGGQDMREATB-UHFFFAOYSA-N 307.354 -0.575 30 20 DBED C#Cc1ccc(C(=O)N(CCO)CCNC(=O)CC(N)=O)cc1 1058273512 OGFGJIXJISGCRU-UHFFFAOYSA-N 317.345 -0.906 30 20 DBED Cc1noc(CCC(=O)NCCN(CCO)C(=O)[C@@H](C)C#N)n1 1058660514 BNQRVSXTSMIDTA-JTQLQIEISA-N 323.353 -0.593 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)[C@]1(F)CCOC1 1058663259 MHQRQWVCVLHZBQ-MFKMUULPSA-N 301.318 -0.788 30 20 DBED C[C@@H](C#N)C(=O)NCC[C@H]1CCN(C(=O)c2nnn(C)n2)C1 1060146930 IYKOWOHGPGTALR-UWVGGRQHSA-N 305.342 -0.662 30 20 DBED C=CCCOCC(=O)N1CCOC[C@@H]1CNC(=O)c1cn[nH]c1 1061346873 TXYQFQMTCQTADF-ZDUSSCGKSA-N 322.365 -0.040 30 20 DBED C=CCCC(=O)N1CCOC[C@H]1CNC(=O)c1cnn(C)c1N 1061522566 YSPKLZLAYYUZAE-LLVKDONJSA-N 321.381 -0.074 30 20 DBED CC(C)C#CC(=O)N1CCOC[C@H]1CNC(=O)[C@H]1COC(=O)N1 1061546103 LHTRWFYYVHDKJV-VXGBXAGGSA-N 323.349 -0.902 30 20 DBED CC(C)C#CC(=O)NC[C@H]1COCCN1C(=O)CCNC(N)=O 1061568268 FGIKAANMWOOHSQ-LBPRGKRZSA-N 324.381 -0.952 30 20 DBED N#Cc1nccc(N2CC[C@@H](CNC(=O)[C@@H]3CCC(=O)N3)C2)n1 1061627533 VNNITINFHCKOAO-QWRGUYRKSA-N 314.349 -0.431 30 20 DBED Cc1cc(C#N)nc(N[C@H]2CCN(C(=O)C(N)=O)C[C@@H]2C)n1 1063790180 CBXHCOULMLWJGJ-KWQFWETISA-N 302.338 -0.209 30 20 DBED C=CCO[C@@H](C)C(=O)NC1(CNC(=O)[C@@H]2CCNC2=O)CCC1 1063913189 RIHHCVRTECKJNR-NWDGAFQWSA-N 323.393 -0.131 30 20 DBED N#Cc1nccc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)Cn2cncn2)n1 1064256905 KOPYLESWAJMJHI-ISTVAULSSA-N 310.321 -0.667 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)C2CS(=O)(=O)C2)CCC1 1064304584 FJXUSZZFHPFRJD-SECBINFHSA-N 313.379 -0.654 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@H]1CN(C(=O)c2ccon2)CCO1 1064911146 CLSCMVZWAGAKEJ-XHDPSFHLSA-N 323.349 -0.041 30 20 DBED C#CCCCC(=O)N1CCO[C@@H](CNC(=O)CCCC(N)=O)C1 1065090813 QICXPWIYHVMXIW-ZDUSSCGKSA-N 323.393 -0.211 30 20 DBED C=C(C)CCC(=O)NC[C@H]1CN(C(=O)[C@@H]2CCNC2=O)CCO1 1065423407 ZITIOOLFXSKQCW-QWHCGFSZSA-N 323.393 -0.178 30 20 DBED C[C@H]1CN(C(=O)c2cc[n+]([O-])cc2)C[C@H]1N=c1cc[nH]c(C#N)n1 1067039614 KJRUEOYZNJPPHU-WCQYABFASA-N 324.344 -0.024 30 20 DBED CC1(C)CN(c2cncc(C#N)n2)CC[C@H]1NC(=O)C(N)=O 1067336497 NUSVUOLFBMTXIY-SNVBAGLBSA-N 302.338 -0.445 30 20 DBED C[C@H](C#N)C(=O)N1CCC(O)(CN=c2cc[nH]c(C#N)n2)CC1 1067471879 VXRHMNAABGHCPZ-LLVKDONJSA-N 314.349 -0.305 30 20 DBED C[C@H](C#N)C(=O)N(C)CCCN(C)C(=O)c1cc(=O)n(C)cn1 1067710271 BRBICEGDARVTMX-LLVKDONJSA-N 319.365 -0.140 30 20 DBED C[C@H](C#N)C(=O)N(C)CCCN(C)C(=O)C[C@@H]1CC(=O)NC1=O 1067767175 KDBRILAZHQRSOD-MNOVXSKESA-N 322.365 -0.494 30 20 DBED N#Cc1nccnc1NCC1CC(NC(=O)[C@@H]2COC(=O)N2)C1 1067845806 HRDNALWYIYOBMB-AMUVOQDHSA-N 316.321 -0.237 30 20 DBED CNC(=O)CC(=O)NC[C@@H]1CCC2(CN(C(=O)[C@@H](C)C#N)C2)O1 1068562679 CHHONLUXJGOCQC-QWRGUYRKSA-N 322.365 -0.842 30 20 DBED C#CCCCC(=O)N1CC2(C[C@@H](NC(=O)CC(N)=O)CO2)C1 1068778074 AEWOLIPEPUUAMJ-LLVKDONJSA-N 307.350 -0.849 30 20 DBED CC(C)[C@@H](O)C(=O)N1CC2(C[C@H](NC(=O)C#CC3CC3)CO2)C1 1068860065 CFSZBYGRAMFJLO-DZGCQCFKSA-N 320.389 -0.097 30 20 DBED O=C(C#CC1CC1)N[C@H]1COC2(C1)CN(C(=O)c1ncc[nH]1)C2 1068861167 ZLWWGPUEMHPACW-GFCCVEGCSA-N 314.345 -0.077 30 20 DBED C[C@@H]1C[C@H](Nc2cncc(C#N)n2)CN1C(=O)Cn1cnnn1 1069005280 DUQWRHRTURTISH-ZJUUUORDSA-N 313.325 -0.564 30 20 DBED CN(C(=O)[C@H]1COC(=O)N1)C1CC(Nc2cnc(C#N)cn2)C1 1069736148 YFRDLOJDEPNUIK-BOBPJJCASA-N 316.321 -0.142 30 20 DBED CNC(=O)NCCC(=O)N[C@@H]1CCCN(C(=O)C#CC2CC2)C1 1070706968 PVMGIHNRCSFYJS-CYBMUJFWSA-N 320.393 -0.174 30 20 DBED C#CCOCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)C(C)(C)C(N)=O)C1 1072097183 JXZBGHBNVYBJJM-NEPJUHHUSA-N 323.393 -0.499 30 20 DBED C=CCOCC(=O)N1CCN(C2CN(C(=O)C3CC3)C2)CC1 1073553662 FDIINMPTWKUXJC-UHFFFAOYSA-N 307.394 -0.046 30 20 DBED N#CCSCC(=O)N1C[C@H]2CCN(C(=O)C(N)=O)CC[C@H]2C1 1074360046 MMQMAUMDEKHNGF-PHIMTYICSA-N 324.406 -0.575 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(C(=O)CC(=O)NC)[C@H](C)C1 1074891392 GKXOKVYTJBOIRD-VXGBXAGGSA-N 311.382 -0.179 30 20 DBED CC(=O)Nc1cccnc1C(=O)N[C@@H]1CN(CC#N)C[C@H]1O 1077106105 XSDNWIPSNJCBLS-VXGBXAGGSA-N 303.322 -0.662 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H](C)CCNC(=O)[C@@H]1CCC(=O)N1 1077637908 WCYQZAIKPUHTBG-PGUXBMHVSA-N 311.382 -0.397 30 20 DBED CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)c2nnc(O)nc2O)C1 1080412839 JGCZHZMNCUFRJB-SSDOTTSWSA-N 320.309 -0.885 30 20 DBED C=C(C)CCN1C[C@@H](NC(=O)c2cn(CC(N)=O)nn2)[C@H](C)C1 1080996010 AAFJKCCOZCTLLA-VXGBXAGGSA-N 320.397 -0.220 30 20 DBED C#CCOCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cocn2)C1 1081335989 ROIAARFHWJFUCV-WCQYABFASA-N 321.333 -0.736 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)Cc2cnoc2)C[C@H]1O 1081462689 DCNSOIWYUOEHJB-UONOGXRCSA-N 319.361 -0.188 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)Cc2ccon2)C[C@@H]1O 1081463533 OYMNJXIQLXVTPY-OCCSQVGLSA-N 319.361 -0.188 30 20 DBED C=C(C)CCC(=O)NC[C@H]1CN(C(=O)c2cnnn2C)C[C@H]1O 1081531669 VTZXBYCKDXKXLM-WCQYABFASA-N 321.381 -0.280 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@H]1CCc2c[nH]nc2C1 1082379506 ZYBCMWNNQHTLAW-ZLKJLUDKSA-N 303.366 -0.146 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CCCC(=O)N1C 1083261151 GQWSYFNTNPYBHG-MELADBBJSA-N 305.378 -0.458 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)Cn1ccccc1=O 1083271139 RWCVUNCIOCHSDM-LSDHHAIUSA-N 315.373 -0.217 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1ccc(C(N)=O)nc1 1083291766 YJBLAHXPXNGGPV-QWHCGFSZSA-N 315.333 -0.771 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)c2cn(C)nc2COC)C1 1083581722 HTGXRCRNKMKVJJ-OCCSQVGLSA-N 308.382 -0.083 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)[C@H]2CC(=O)Nc3ccccc32)C1 1083684160 IFZOGIJKDXQPAZ-YUTCNCBUSA-N 314.345 -0.203 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2CN([C@H](CC)C(N)=O)C[C@@H]2O)c1 1083765487 GZWRXJXSOHEQID-MCIONIFRSA-N 316.361 -0.898 30 20 DBED C#Cc1ccc(C(=O)N2C[C@H]3CCN(CC(=O)NC)C[C@H]32)cn1 1084784022 WDMWLHDYSVAIIG-UKRRQHHQSA-N 312.373 -0.045 30 20 DBED C#CCN1CC[C@H]1CN(C)C(=O)c1coc(S(N)(=O)=O)c1 1085678904 VBUGUZLZEWOPLP-NSHDSACASA-N 311.363 -0.294 30 20 DBED C=C(C)CN[C@H]1C[C@@H](CNC(=O)[C@H]2CCS(=O)(=O)N2)C1 1086274464 ILNSWTRUQJLRAK-GRYCIOLGSA-N 301.412 -0.261 30 20 DBED Cn1nnc(CN[C@H]2C[C@H](CNC(=O)c3c[nH]c(C#N)c3)C2)n1 1086345664 XPIUAJXQAJEZRI-HOMQSWHASA-N 314.353 -0.292 30 20 DBED Cc1cc(C#N)nc(N[C@H]2CCN(C(=O)CNC(N)=O)[C@H]2C)n1 1090197258 YRKLPYZFJNNXNT-ONGXEEELSA-N 317.353 -0.274 30 20 DBED C=C(Cl)CN1CC[C@@H](NC(=O)c2c[nH]c(=O)cn2)[C@H](O)C1 1090527561 ZKDBCCNRARKZKF-MWLCHTKSSA-N 312.757 -0.313 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(c2cc(F)ncn2)C[C@@H]1O 1091152776 HVAVCDYXEHTKRA-MXWKQRLJSA-N 308.313 -0.680 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)c3ncn(C)n3)c3nccn32)C1 1092367676 ADOJEFLQWQPPRV-LLVKDONJSA-N 311.349 -0.470 30 20 DBED CCCC(=O)NCC(=O)N1CCN(c2nccnc2C#N)CC1 1093142255 GSHSOINRSUMTHW-UHFFFAOYSA-N 316.365 -0.087 30 20 DBED CC(C)[C@@H](O)C(=O)N[C@H]1[C@@H]2CN(c3nccnc3C#N)C[C@@H]21 1093260990 SHVQSVANCDAHNC-RSLMWUCJSA-N 301.350 -0.084 30 20 DBED C[C@]1(C(=O)NCCNc2cncc(C#N)n2)CCCS1(=O)=O 1093721434 PBQNUBLOMPTIOQ-CYBMUJFWSA-N 323.378 -0.156 30 20 DBED C[C@H]1C[C@@H](C(=O)NCCNc2cnc(C#N)cn2)CC(=O)N1 1093982936 PHQREJIMYSUWKC-VHSXEESVSA-N 302.338 -0.209 30 20 DBED N#Cc1ccc(NCCCNC(=O)[C@@H]2CCNC(=O)C2)nn1 1094381591 BLKZIEVADGKJFE-SNVBAGLBSA-N 302.338 -0.207 30 20 DBED N#CCN1CC(N2C[C@H](NC(=O)C[C@@H]3CCOC3)CC2=O)C1 1094716103 VTPXJOYNQRARCI-NWDGAFQWSA-N 306.366 -0.662 30 20 DBED N#CCN1CC(N2C[C@@H](NC(=O)[C@@H]3CCCOCC3)CC2=O)C1 1094733846 OJESMMQQOBZSDB-OLZOCXBDSA-N 320.393 -0.272 30 20 DBED C=C(C)CN1CC(N2C[C@@H](NC(=O)c3cnn[nH]3)CC2=O)C1 1094753423 KHHJVHLGUBBLEE-JTQLQIEISA-N 304.354 -0.604 30 20 DBED N#CCN1CC(N2C[C@H](NC(=O)c3n[nH]cc3F)CC2=O)C1 1094786157 SLWHCCRTSHWSPV-MRVPVSSYSA-N 306.301 -0.913 30 20 DBED N#Cc1ccc(NCCCNC(=O)c2nnc(O)nc2O)cn1 1094888299 MMXLJAHXPLDGOC-UHFFFAOYSA-N 315.293 -0.219 30 20 DBED CC(=O)N[C@@H](C)C(=O)N1CC[C@@H](Nc2ccc(C#N)nn2)C1 1095009503 CLDRXNCBRQSKPI-JOYOIKCWSA-N 302.338 -0.114 30 20 DBED CC(=O)N[C@H](C)C(=O)NC1CCN(c2cncc(C#N)n2)CC1 1095387903 WRGCBNKGNYKYHZ-SNVBAGLBSA-N 316.365 -0.042 30 20 DBED CN(CCCNC(=O)[C@H]1COCCN1C)c1ccc(C#N)nn1 1095522354 ORNBNNOGPNUKMA-CYBMUJFWSA-N 318.381 -0.379 30 20 DBED C[C@@H](C(=O)N[C@H]1CCN(c2ccnc(C#N)n2)C1)S(C)(=O)=O 1096502054 JQVYLMLKOPAODZ-UWVGGRQHSA-N 323.378 -0.524 30 20 DBED N#Cc1nc(=N[C@H](CNC(=O)CCCC(N)=O)C2CC2)cc[nH]1 1096683913 VXFIPMMOBSGANF-LLVKDONJSA-N 316.365 -0.268 30 20 DBED Cc1cc(=N[C@H]2CCN(C(=O)CNC(N)=O)C2)c(C#N)c[nH]1 1096916112 GEEXFZNLDSAPOW-NSHDSACASA-N 302.338 -0.635 30 20 DBED CNC(=O)NCC(=O)N[C@H]1C[C@H](Nc2cnc(C#N)cn2)C1 1097109894 MQINVADTMXNDHO-KYZUINATSA-N 303.326 -0.664 30 20 DBED C[C@H](CNC(=O)[C@@H]1COCCN1C)Nc1cnc(C#N)cn1 1097765076 NDUFCOBSARWILE-PWSUYJOCSA-N 304.354 -0.405 30 20 DBED C#CCOCCC(=O)NC[C@@H](C)N=c1cc[nH]c(C(=O)OC)n1 1098058877 FULVQWJGEBCSGP-LLVKDONJSA-N 320.349 -0.358 30 20 DBED C[C@@H](CNC(=O)C[C@H](C)NC(N)=O)N=c1cc[nH]cc1C#N 1098076723 XBCSRXIVCVTLIV-UWVGGRQHSA-N 304.354 -0.261 30 20 DBED C#CCN(CCO)C1CCN(C(=O)c2cnn(C)c2OC)CC1 1098547782 ICKKISBJBMHEGN-UHFFFAOYSA-N 320.393 -0.039 30 20 DBED C#CCNCc1cn([C@@H]2CCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C2)nn1 1098702904 FCRHAELKMNJPQJ-KBXIAJHMSA-N 315.377 -0.333 30 20 DBED C#CCNCc1cn([C@H]2CCN(C(=O)c3ccn(C)n3)C2)nn1 1098779051 DFGPBKBKMOJWDO-ZDUSSCGKSA-N 313.365 -0.178 30 20 DBED Cc1cc(=N[C@@H](C)CCNC(=O)[C@@H]2CNC(=O)N2)c(C#N)c[nH]1 1099682937 RUAHKTPUKPMXJS-ZANVPECISA-N 316.365 -0.328 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(CCc2cnn(C)c2)C[C@@H]1O 1099738046 HVOMJIKHQKITFY-CABCVRRESA-N 322.409 -0.283 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CNC(=O)c2ccoc2)[C@@H](O)C1 1099845355 VZAWXVZAPSNFRH-KGLIPLIRSA-N 319.361 -0.416 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)c2cc(F)c[nH]2)[C@H](O)C1 1099920815 GFLULARTXVOFQQ-WCQYABFASA-N 322.340 -0.932 30 20 DBED C=C(Cl)CN1CC[C@H](NC(=O)CCn2cnnn2)[C@H](O)C1 1100045840 FCWQYVYIIIYNBW-WDEREUQCSA-N 314.777 -0.633 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2ccn(C)n2)[C@@H](O)C1 1100110017 OEGDOHPZYQSUFV-JSGCOSHPSA-N 306.366 -0.765 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)N[C@@H]1CCN(CC)C[C@@H]1O 1100129808 SJINDHPCASQADY-NEPJUHHUSA-N 312.414 -0.179 30 20 DBED C[C@H](C#N)C(=O)NCC1CC(NCCN(C)S(C)(=O)=O)C1 1100196180 BMDFLEPUVXBXMJ-VOMCLLRMSA-N 316.427 -0.478 30 20 DBED CN(CCNC(=O)[C@@H]1CNC(=O)N1)c1ncc(C#N)cc1Cl 1100308507 FVCINXQUKIEUJS-JTQLQIEISA-N 322.756 -0.160 30 20 DBED CN(CCNC(=O)[C@]1(C)CCC(=O)N1)c1cncc(C#N)n1 1100309986 XBWZKJFMFPMNAS-AWEZNQCLSA-N 302.338 -0.431 30 20 DBED C=CCNC(=O)CNC1CC(CNC(=O)[C@H](C)NC(=O)CC)C1 1100354494 FAIFHZFAXOKKSJ-HIFPTAJRSA-N 324.425 -0.312 30 20 DBED COc1cc(C(=O)NCCN(C)c2ccnc(C#N)n2)nn1C 1100413906 IMNLKHWXDJDVPD-UHFFFAOYSA-N 315.337 -0.043 30 20 DBED CN(CCNC(=O)c1ccnc2[nH]nnc12)c1cnc(C#N)cn1 1100415036 UNUBYMKZXCGHOR-UHFFFAOYSA-N 323.320 -0.119 30 20 DBED CCN(CCNC(=O)C[C@@H]1CCC(=O)N1)c1cncc(C#N)n1 1100568739 VMXZZZACKHFXOF-NSHDSACASA-N 316.365 -0.041 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)CC2=CCOCC2)C1 1100645747 SYWFMAGMEFAVNW-UHFFFAOYSA-N 319.405 -0.043 30 20 DBED CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CCCN1c1cncc(C#N)n1 1100776817 RSBDZFDTWYLMAB-GWCFXTLKSA-N 316.365 -0.042 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CCCN1c1nccn2nnnc12 1100810562 WQKRDMQWKYAVOR-UWVGGRQHSA-N 300.326 -0.236 30 20 DBED C=CCN1C[C@@H]2CN(C(=O)CNS(=O)(=O)NC)C[C@]2(C)C1 1101314316 YDGZZIADVWWFRE-YPMHNXCESA-N 316.427 -0.994 30 20 DBED CCn1nncc1C(=O)N(C)CCN=c1cc[nH]c(C#N)n1 1101580710 NIDBIRJVMHTQEI-UHFFFAOYSA-N 300.326 -0.434 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)CC(=O)NC)c3nccn32)C1 1101624382 SUZRIIXXWMANGQ-LBPRGKRZSA-N 315.377 -0.386 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H](C)[C@H](CNC(=O)c2cnn[nH]2)C1 1102118600 NJVZKVBJIVCLCA-GRYCIOLGSA-N 320.397 -0.207 30 20 DBED CC[C@@H](CNC(=O)CCNC(=O)NC)Nc1ccc(C#N)nn1 1103063827 AVBGUWBJJLYBIU-JTQLQIEISA-N 319.369 -0.026 30 20 DBED C[C@H](CNC(=O)[C@H]1CCC(=O)N1)CNc1nccnc1C#N 1103901927 PPBHWVZYLIDELA-VHSXEESVSA-N 302.338 -0.209 30 20 DBED C[C@H](CNC(=O)[C@H](C)NC(N)=O)CNc1cnc(C#N)cn1 1103934416 BNESHVYQLAPPFG-IUCAKERBSA-N 305.342 -0.431 30 20 DBED C[C@H](CNC(=O)[C@H](C)NC(N)=O)CNc1cncc(C#N)n1 1103935040 QNJYCBCGHILABR-IUCAKERBSA-N 305.342 -0.431 30 20 DBED C#CCNCc1cn(C2CN(C(=O)Cn3cc(C)cn3)C2)nn1 1105178672 KBBSXOMNTHBRFJ-UHFFFAOYSA-N 313.365 -0.411 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(n2cc(CNCC=C)nn2)C1 1105240459 NSWMDLZWBGAPFW-LBPRGKRZSA-N 303.366 -0.025 30 20 DBED Cc1cc(C(=O)NC[C@@H](O)CNc2nccnc2C#N)on1 1105746862 QBCCTELOKUTAAZ-VIFPVBQESA-N 302.294 -0.153 30 20 DBED CNC(=O)NCCC(=O)NC[C@H](O)CNc1ncccc1C#N 1105815155 DJFBQYMXTIELME-NSHDSACASA-N 320.353 -0.839 30 20 DBED N#Cc1nccnc1NC[C@@H](O)CNC(=O)[C@@H]1[C@H]2COC[C@H]21 1106062072 BJQDHBXQADEICL-SVDPJWKOSA-N 303.322 -0.870 30 20 DBED CO[C@H](C(=O)NC[C@H](O)CN=c1cc[nH]cc1C#N)C(C)C 1106092832 NZAOEVFREJRDLK-OCCSQVGLSA-N 306.366 -0.065 30 20 DBED C[C@@H]1CCCN1CC(=O)NC[C@H](O)CN=c1cc[nH]cc1C#N 1106108873 QXDWLZGZWUBWAS-TZMCWYRMSA-N 317.393 -0.252 30 20 DBED CCc1n[nH]cc1C(=O)NC[C@@H](O)CNc1cncc(C#N)n1 1106163351 PUIYZOBIVTVDMK-JTQLQIEISA-N 315.337 -0.163 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)CCNC(=O)COC)C[C@H]1C 1106207795 UHOXHRVASDQJCF-ZIAGYGMSSA-N 309.410 -0.154 30 20 DBED C[C@@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)[C@]1(C)CNC(=O)C1 1106511853 ATWURQUHQDEZIL-BONVTDFDSA-N 316.365 -0.397 30 20 DBED C#CCNC[C@@H]1CN(C(=O)CN(C)S(=O)(=O)CC)C[C@H]1C 1106823220 XDYASCGLLMBVPU-CHWSQXEVSA-N 315.439 -0.415 30 20 DBED CC(=O)N[C@H](C)C(=O)NC/C=C\CN=c1cc[nH]cc1C#N 1107020639 GVLRFHRZARZVRF-DLRQAJBASA-N 301.350 -0.016 30 20 DBED N#CCN1CC(n2cc(CNC(=O)C3(F)CCOCC3)nn2)C1 1107178381 VHCSNEIMYHFTGW-UHFFFAOYSA-N 322.344 -0.207 30 20 DBED N#Cc1nccnc1NC/C=C/CNC(=O)[C@@H]1CNC(=O)N1 1107489581 DUPMYPXFBXZTTF-YOLVWIGZSA-N 301.310 -0.886 30 20 DBED C[C@H](CNc1cncc(C#N)n1)NC(=O)C1CS(=O)(=O)C1 1107951841 KWRSZMJFFQORDJ-MRVPVSSYSA-N 309.351 -0.691 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)c2ncc(OC)cn2)C1 1108063541 SRGXPHOPIBYGQD-HNNXBMFYSA-N 304.350 -0.061 30 20 DBED C[C@]1(CNC(=O)[C@@]2(C)CCC(=O)NC2)CN(CC#N)CCO1 1108152421 FACQXMMVTHDSMB-GJZGRUSLSA-N 308.382 -0.367 30 20 DBED C[C@@H](CNc1ccc(C#N)cn1)NC(=O)C[C@H]1CC(=O)NC1=O 1108435571 HFHMPWUQDNAVAC-ONGXEEELSA-N 315.333 -0.077 30 20 DBED C[C@@H](CNc1ccc(C#N)cn1)NC(=O)C1CC(=O)NC(=O)C1 1108441977 YUQSJXCCXNGAQV-VIFPVBQESA-N 315.333 -0.077 30 20 DBED C#CCCN1CC(N2C[C@@H](NC(=O)CC3(O)CCC3)CC2=O)C1 1108544740 JMPREZCMHCBZEN-ZDUSSCGKSA-N 319.405 -0.284 30 20 DBED CC(F)(F)CC(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1 1108572220 POZWOXMYUMZMQC-VIFPVBQESA-N 300.309 -0.043 30 20 DBED Cc1ccc(C#N)c(N(C)C[C@H](C)NC(=O)Cn2ncnn2)n1 1109116692 LSPXWLKTRWTVHD-NSHDSACASA-N 314.353 -0.111 30 20 DBED CO[C@H](C)C(=O)NC[C@@]1(O)CCN(c2cncc(C#N)n2)C1 1111026629 TXZGCQJUPRFJDM-YGRLFVJLSA-N 305.338 -0.559 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H](CCC(N)=O)NC(C)=O 1111151943 MUGUEZWUFZAGKK-RQJABVFESA-N 320.393 -0.889 30 20 DBED CNC(=O)NCC(=O)N(CCO)CCNc1ncccc1C#N 1111578527 GQDHDABLARBOOL-UHFFFAOYSA-N 320.353 -0.885 30 20 DBED C=CCNC(=O)NC(=O)CN1CCN(C(=O)c2ccc[nH]2)CC1 1112609560 MXHILFBJINGIFR-UHFFFAOYSA-N 319.365 -0.216 30 20 DBED Cc1ncccc1CC(=O)N1CCN(CC(=O)NCC#N)CC1 1113343460 MDSQKBPHMBONEH-UHFFFAOYSA-N 315.377 -0.284 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN([C@H](C)C(N)=O)CC1 1113410043 KYZSPKXMNCWCKW-YPMHNXCESA-N 310.398 -0.525 30 20 DBED C[C@H](CNC(=O)[C@H]1CC(=O)N(C)C1)N(C)c1nccnc1C#N 1113942956 DOMZCCBTUYWBIM-MNOVXSKESA-N 316.365 -0.233 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)C(=O)C(C)(C)C)[C@H]2C1 1114072411 RPRXAWNWLNGJHK-PJXYFTJBSA-N 305.378 -0.603 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)C[C@@H]3CCC(=O)NC3)[C@@H]2C1 1114392446 CNQQGEAMKIPJLQ-BFHYXJOUSA-N 319.405 -0.401 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1[C@H]2CN(CCOCCO)C[C@H]12 1114420626 IKEIATBAMNHZMA-KKUMJFAQSA-N 321.421 -0.861 30 20 DBED CS(=O)(=O)CC(=O)N[C@H]1C[C@H](CN=c2cc[nH]cc2C#N)C1 1114740596 VLAYTBWTNDVWBP-UMSPYCQHSA-N 322.390 -0.274 30 20 DBED C[C@H](CCCN=c1cc[nH]c(C#N)n1)NC(=O)[C@H]1CNC(=O)N1 1115061645 AQZGRCPYQPLEIR-NXEZZACHSA-N 317.353 -0.852 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)[C@H]3CCCC(=O)N3C)[C@@H]2C1 1115182614 OSXKJYPMXUEIGT-MGPQQGTHSA-N 319.405 -0.307 30 20 DBED C=CCCN1C[C@H]2[C@H](NC(=O)CC[C@H]3NC(=O)NC3=O)[C@H]2C1 1115216215 FCTDDBOATAHXLG-XZUYRWCXSA-N 306.366 -0.403 30 20 DBED C=CCO[C@H](C)C(=O)N[C@H]1[C@@H]2CN(CC(=O)NC3CC3)C[C@@H]21 1115332634 PNPHCEALNTZSMF-PBOSXPJTSA-N 307.394 -0.098 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCC[C@H](c2ncc[nH]2)C1 1117395375 JYHIPZJSNJYYNL-LBPRGKRZSA-N 304.350 -0.118 30 20 DBED C[C@H](CCN1CCN(C)CC1)NC[C@@H](O)CN(C)CCC#N 1120588942 IXILXAZZKUSUOD-HZPDHXFCSA-N 311.474 -0.192 30 20 DBED Cc1cc(C#N)nc(N[C@@H](CO)CNC(=O)C2CCOCC2)n1 1120987274 VZNYOZJRDIHERY-CYBMUJFWSA-N 319.365 -0.028 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](CO)Nc1cc(-n2ccnc2)ncn1 1121213764 UDBFFRZYVJXJGK-GHMZBOCLSA-N 315.337 -0.289 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)[C@@H]1CCCO1 1124066656 YRKKSBBGPGNVTO-QWRGUYRKSA-N 305.338 -0.820 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)c1cncnc1 1124329494 KLUATAZWVZUHLI-NSHDSACASA-N 313.321 -0.895 30 20 DBED CNC(=O)NCC(=O)N(C)C[C@@H](O)CNc1ncccc1C#N 1124845484 PSPKCTLRBJKJQE-NSHDSACASA-N 320.353 -0.887 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1cc(C2CC2)nn1C 1128490870 CJKOFWGJKMBNIK-LLVKDONJSA-N 317.393 -0.245 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)C(C)(C)COC)C1 1129106258 GOEIQMFBINMOQH-OLZOCXBDSA-N 305.382 -0.075 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1c(C2CC2)cnn1C 1129176313 PKSONXMQBKORMW-UHFFFAOYSA-N 305.382 -0.081 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCNCc1nc(N(C)C)no1 1129761787 BRTWJHZIRCLMOA-LBPRGKRZSA-N 320.397 -0.561 30 20 DBED C#CCCN[C@@H]1CN(C(=O)C[C@@](C)(O)C=C)C[C@@H]1n1ccnn1 1129795309 DSCOLNDUBPPLIK-YCPHGPKFSA-N 317.393 -0.030 30 20 DBED CC#CCN[C@@H]1CN(C(=O)CCCC(N)=O)C[C@@H]1n1ccnn1 1130153167 BULWYQAEIFZUHV-OLZOCXBDSA-N 318.381 -0.702 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1c(OC)ccnc1OC 1131226384 KJRWHCLBARJRGR-UHFFFAOYSA-N 322.365 -0.280 30 20 DBED C=CCCN1CCNC(=O)CCN(C(=O)[C@H](C)NC(C)=O)CC1 1131325578 LTONNMADAUESGA-ZDUSSCGKSA-N 324.425 -0.262 30 20 DBED CC(C)OCCC(=O)N1CCC(=O)NCCN(CC#N)CC1 1131330463 SMODTJAKDDIVFL-UHFFFAOYSA-N 310.398 -0.024 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)Cc1ccc(O)nc1 1131449765 HFIKEPPKLZICLE-NSHDSACASA-N 306.366 -0.274 30 20 DBED C=CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)Cn1nccn1 1134461846 NXZZXLLKARHFNS-NEPJUHHUSA-N 308.386 -0.547 30 20 DBED C=CCn1cc(C(=O)NCCNCC(=O)N2CCCC2)nn1 1134973303 MBQZFSPDRKSCLP-UHFFFAOYSA-N 306.370 -0.594 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)C[C@H]1CCC(=O)N1 1135231887 PZBGNLZOJDJTOM-CYBMUJFWSA-N 322.409 -0.439 30 20 DBED CC#CCN1CCC2(C1)CN(C(=O)[C@H](C)NC(=O)COC)C2 1147611601 ZWOCXQOLCSYHBN-ZDUSSCGKSA-N 307.394 -0.305 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)c1[nH]nnc1C)C2 1148017302 JSXJWSIJNVWMHG-UHFFFAOYSA-N 316.365 -0.990 30 20 DBED C#CCN1CCC2(C1)CN(C(=O)CCNC(=O)[C@@H]1CCCO1)C2 1148911119 ZKZAEUJTWRXUNR-AWEZNQCLSA-N 319.405 -0.161 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)c1ccc(O)nc1 1149747656 SVBCVISSVNFSAM-UHFFFAOYSA-N 321.337 -0.882 30 20 DBED N#Cc1ccccc1CNCCNC(=O)c1nccnc1C(N)=O 1150450467 LVMSWUKOTSJXPL-UHFFFAOYSA-N 324.344 -0.033 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cnc2n[nH]c(C)c2c1 1151093047 DWOXFNMYSRTPAI-UHFFFAOYSA-N 314.349 -0.665 30 20 DBED CCN(CC#CCOC)[C@H](C)CNC(=O)[C@H]1CN(C)CCO1 1152620452 MVBOSMIEZNSMKC-HUUCEWRRSA-N 311.426 -0.207 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)c1ccnnc1 1155423782 OZFORXZXMZCYNP-LLVKDONJSA-N 304.354 -0.443 30 20 DBED CC#CCN(CC)[C@H](C)CNC(=O)CS(=O)(=O)N(C)C 1156665777 ZXPZYWDCSKHYJB-GFCCVEGCSA-N 303.428 -0.272 30 20 DBED C#CCOCCC(=O)NCCCNCCCN1C(=O)CNC1=O 1157845904 GZNNIHYWUWODIK-UHFFFAOYSA-N 324.381 -0.936 30 20 DBED C#CCO[C@@H](C)C(=O)NCCCNCCN(C)S(C)(=O)=O 1157870188 YGCNVVFJMICMGD-LBPRGKRZSA-N 319.427 -0.988 30 20 DBED C#CCNC(=O)CN1CC=C(CCNC(=O)[C@H](C)OC)CC1 1159439065 UUBAIOUHESPLBQ-ZDUSSCGKSA-N 307.394 -0.091 30 20 DBED O=C1NC[C@@H](C(=O)NCCCNCC#Cc2ccccc2)N1 1165469457 YEKILXZBVOAOJF-AWEZNQCLSA-N 300.362 -0.185 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H](C)CCCCNCC(=O)NCC#N 1170743875 ZKSFRPPIOPRBNI-KGLIPLIRSA-N 322.409 -0.071 30 20 DBED C=C(C)CNCCCC[C@@H](C)NC(=O)CNS(=O)(=O)NC 1171923225 DUYPPPANZYKAND-GFCCVEGCSA-N 320.459 -0.119 30 20 DBED C[C@@H](CCCCNCC(=O)NCC#N)NC(=O)Cc1cnc[nH]1 1175479042 OAUZZKJWKZFJIL-LBPRGKRZSA-N 320.397 -0.143 30 20 DBED C=CCOCCN1CCO[C@H]2CCN(C(=O)c3cnn[nH]3)C[C@@H]21 1177042749 RNGZCCIZKRXZAU-KBPBESRZSA-N 321.381 -0.077 30 20 DBED C=CCOCCN1CCO[C@@H]2CCN(C(=O)c3cnn[nH]3)C[C@H]21 1177042754 RNGZCCIZKRXZAU-ZIAGYGMSSA-N 321.381 -0.077 30 20 DBED C#CCCN1CCO[C@H]2CCN(C(=O)CCCC(N)=O)C[C@H]21 1177162459 LPBBAWZMAOKDEZ-KGLIPLIRSA-N 307.394 -0.033 30 20 DBED C=CCO[C@H](C)C(=O)NCCCN[C@H](C)C(=O)NC(N)=O 1177277596 TWGVZKFTYVFNQR-NXEZZACHSA-N 300.359 -0.743 30 20 DBED CO[C@H](C(=O)N1CC[C@H](NCC(=O)NCC#N)[C@@H]1C)C1CC1 1178590756 ACYKRQQLRZKIBC-JKOKRWQUSA-N 308.382 -0.370 30 20 DBED C[C@H](NS(C)(=O)=O)C(=O)NCCCCCCNCC#N 1179686236 FOQFUFFEEUJWDC-NSHDSACASA-N 304.416 -0.286 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](NCC(=O)NC2CCOCC2)C1 1181653420 ZKEDPONUIREZBE-WCQYABFASA-N 308.382 -0.368 30 20 DBED C[C@@H]1CN(C(=O)COCc2nncn2C)C[C@@]1(C)CNCC#N 1183041503 JUQYQHHOAIVCLQ-IUODEOHRSA-N 320.397 -0.071 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2cncn2C)C1 1184000925 VQVFIBPJPZSMHS-VXGBXAGGSA-N 303.366 -0.638 30 20 DBED C=CCNC[C@H]1CN(C(=O)c2nnn(C)n2)CC12CCOCC2 1186464316 KFIAFIFZGQHJSC-LBPRGKRZSA-N 320.397 -0.146 30 20 DBED C=CCCN(C)[C@H]1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)C1 1190484726 WYISODHQMZDYMN-ZDUSSCGKSA-N 320.393 -0.344 30 20 DBED CCN1CCOC[C@H]1C(=O)N1CC[C@H](N(C)CC#CCOC)C1 1191060734 CMRNFXNLYUADAM-HOTGVXAUSA-N 323.437 -0.110 30 20 DBED COc1nccc(CN2C[C@@H](O)[C@H](NC(=O)[C@H](C)C#N)C2)n1 1191855195 YLRSEPWVEDXGEY-YUSALJHKSA-N 305.338 -0.694 30 20 DBED C=CCNC(=O)NC(=O)CN1CCCN(C(=O)C(F)F)CC1 1194590460 OFLDLQXXSLWNCD-UHFFFAOYSA-N 318.324 -0.202 30 20 DBED CCn1cnc(C(=O)N2CCCN(CC(=O)NCC#N)CC2)c1 1197832014 GVMHRTIAJIAVRB-UHFFFAOYSA-N 318.381 -0.309 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H](CC(C)C)NC(C)=O)C1 1197984519 NIZOWDCKAAQXSC-RBSFLKMASA-N 309.410 -0.278 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)c2cncnc2)CC1 1200179516 WRUYHXWIDVDFFT-UHFFFAOYSA-N 301.350 -0.580 30 20 DBED C=C(C)CNC[C@@H]1CN(C(=O)[C@@H]2CC(=O)NC(=O)N2)CCCO1 1201507468 WKVYAGFLQINOSL-NEPJUHHUSA-N 324.381 -0.632 30 20 DBED C=CCNC[C@H]1CN(C(=O)[C@H]2CCS(=O)(=O)N2)CCCO1 1202078392 FMXUUKZVTWZZLK-NWDGAFQWSA-N 317.411 -0.929 30 20 DBED C=CCn1cc(C(=O)N2CCC(NC[C@H](O)COC)CC2)nn1 1202827120 RUMZGXBUZYBETN-ZDUSSCGKSA-N 323.397 -0.334 30 20 DBED N#CCNC(=O)CNCC1CCN(C(=O)c2cnsn2)CC1 1204607671 AMAFDSLWKSEHOR-UHFFFAOYSA-N 322.394 -0.380 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)C2(C(N)=O)CC2)[C@H](C)C1 1208474579 HPHKEQSONLNRRS-IJLUTSLNSA-N 322.409 -0.621 30 20 DBED C[C@@H]1CC[C@H](C(=O)N2CCC[C@@H](NCC(=O)NCC#N)C2)O1 1209714675 ADLQXDLMNUMTRO-JHJVBQTASA-N 308.382 -0.226 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)c2cn(CC)nn2)C1 1210389532 SSICFAICQCMXIV-GFCCVEGCSA-N 320.397 -0.206 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)C#CC2CC2)[C@H](OC)C1 1212250529 AFVRCUJGPQRVLK-BPLDGKMQSA-N 317.389 -0.647 30 20 DBED C=CCCCN1C[C@@H](NC(=O)C2CS(=O)(=O)C2)[C@H](OC)C1 1212318769 KNZFPYXSUKHPER-CHWSQXEVSA-N 316.423 -0.187 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)c2coc(C)n2)C[C@H]1C 1214495782 LTGPMFSQYKMAGN-ZYHUDNBSSA-N 304.350 -0.217 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)C2(CN(C)C)CC2)C[C@H]1C 1215416019 MVWQYQJVAHMCQJ-ZIAGYGMSSA-N 320.437 -0.486 30 20 DBED C=CCOCCN[C@@H]1CN(C(=O)CN2C(=O)CCC2=O)C[C@H]1C 1216717568 QLKOCEMFFDHBMM-CHWSQXEVSA-N 323.393 -0.226 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(Cc2nnnn2C2CC2)C[C@@H]1O 1219532301 SUWOXKBYLWPIKG-OLZOCXBDSA-N 318.381 -0.527 30 20 DBED CCO[C@H](C(=O)N[C@@H]1CN(CC#CCOC)C[C@@H]1O)C(C)C 1219601506 FAGULLIGYSVETK-ILXRZTDVSA-N 312.410 -0.141 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2cncc(F)c2)C[C@@H]1O 1219605023 GYESYHHYGNKRAP-GLQYFDAESA-N 321.352 -0.080 30 20 DBED C=CCCCN1C[C@H](O)[C@H](NC(=O)CN(C)S(C)(=O)=O)C1 1219736346 OOCAXCPEULUEHX-NEPJUHHUSA-N 319.427 -0.995 30 20 DBED C=CCCCCCN1C[C@H](O)[C@H](NC(=O)CNC(=O)NC)C1 1219755998 XMJACVRQPKIRQJ-OLZOCXBDSA-N 312.414 -0.177 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2ccn(C)c2C)C1 1220300347 GZPFGOABOHWEKU-KGLIPLIRSA-N 320.393 -0.589 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)COC[C@@H](C)N2CCCC2)C1 1220377549 CMLKBRHFZPEEJP-KFWWJZLASA-N 311.426 -0.165 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)C(C)(C)CCOC)C1 1220662184 KRRWFXUIDKXVEO-KGLIPLIRSA-N 312.410 -0.140 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)CNC(=O)c2ccccc2)C1 1220833274 ZSNPMYBQEMIDDL-CABCVRRESA-N 315.373 -0.399 30 20 DBED CC(C)C#CC(=O)N1C[C@H]2CCN(Cc3nnn(C)n3)C[C@H]21 1221530113 WCVHUYQTZIUQNG-CHWSQXEVSA-N 302.382 -0.098 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)CCCC(N)=O)C1 1222111749 ULGPQQDJNUMSLX-LBPRGKRZSA-N 310.398 -0.475 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)[C@H](C)n2cccn2)CC1 1226128788 PQTJZXJUXURIRE-ZDUSSCGKSA-N 317.393 -0.226 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1ncccn1 1229253958 BBLXUIBPJYRXII-CHWSQXEVSA-N 315.377 -0.143 30 20 DBED CC#CCN1CCC(NC(=O)CS(=O)(=O)N(C)C)CC1 1230159005 ABTCLQRKZKJOKS-UHFFFAOYSA-N 301.412 -0.518 30 20 DBED C=CCOCC(=O)NCCCN(C)CCN1C(=O)CNC1=O 1235684250 VHEDMSGKBPTNEV-UHFFFAOYSA-N 312.370 -0.821 30 20 DBED C=CCn1c(CCO)nnc1N1CC[C@@H]2OCC(=O)N[C@H]2C1 1262991823 WVLKYPQZISWFBA-QWRGUYRKSA-N 307.354 -0.907 30 20 DBED O=C(Cc1cc[nH]n1)NCC#CCNC(=O)Cc1cc[nH]n1 1320691485 PADDWUAEADBNLT-UHFFFAOYSA-N 300.322 -0.846 30 20 DBED N#CCn1cc(NC(=O)C(=O)N2CCC[C@@H](OCCO)C2)cn1 1324300925 COUTYOVQELPHOA-GFCCVEGCSA-N 321.337 -0.655 30 20 DBED CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)C(=O)NCC1(CC#N)CC1 1324829535 KARFEMMQOURECX-MNOVXSKESA-N 306.366 -0.173 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCC[C@@H](C2(C)OCCO2)C1 1324878391 NNIPNNAIVTTXSK-CYBMUJFWSA-N 324.377 -0.246 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)NC1CCC(C(=O)NC)CC1 1325906265 LMVVYXDOMHDXMF-UHFFFAOYSA-N 317.389 -0.108 30 20 DBED COC[C@@]1(CO)CCN(C(=O)C(=O)N2CCC[C@H](CC#N)C2)C1 1327749719 PNXBUZNFSONVBU-CJNGLKHVSA-N 323.393 -0.004 30 20 DBED N#CC[C@@H]1CCCN(C(=O)C(=O)NCCNC(=O)C2CC2)C1 1327855764 QPDMNCDNQOJZFR-NSHDSACASA-N 306.366 -0.219 30 20 DBED CON1CCC(NC(=O)C(=O)N2CC[C@](O)(CC#N)C2)CC1 1328333351 VJDADAHZESRTDM-CQSZACIVSA-N 310.354 -0.995 30 20 DBED CCOC(=O)[C@@H](CC(=O)NCCn1cnc(C#N)n1)C(C)=O 1328383141 DWGUSZCQSMCIEO-JTQLQIEISA-N 307.310 -0.576 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@H]1CCO[C@H](C)C1 1329082992 TUOBUWWWKWQVAO-MNOVXSKESA-N 318.395 -0.613 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCNC2)CCN1C1CC1 1331185138 IJXBLGPOFGRAMP-DGCLKSJQSA-N 305.382 -0.947 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCO[C@H](C(F)F)C1)[C@@H]1CCCO1 1336149842 JVHJCBNSTULSFA-DCAQKATOSA-N 316.304 -0.224 30 20 DBED C#CCNC(=O)C1CCN(C(=O)C(=O)NC/C=C\Cl)CC1 1336463607 OLEZOAABERQUOI-UTCJRWHESA-N 311.769 -0.157 30 20 DBED COCC[C@@H](NS(=O)(=O)c1ccccc1CC#N)C(N)=O 1365684208 QDDQJNXWAMJVAC-LLVKDONJSA-N 311.363 -0.079 30 20 DBED CCc1ocnc1C(=O)N(C)C[C@@H](O)CNC(=O)[C@@H](C)C#N 1370974690 RPAJDEZCNZFTMB-UWVGGRQHSA-N 308.338 -0.054 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CCN(C(=O)C2(NC(N)=O)CC2)C1 1387230744 SQAVOVMDBHRHKL-VHSXEESVSA-N 307.354 -0.688 30 20 DBED CCN(CCNC(=O)CN(C)C(C)=O)C(=O)c1ccc(C#N)[nH]1 1398066340 BYXRGDMTLAESBC-UHFFFAOYSA-N 319.365 -0.057 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H]1CCN(C(=O)Cn2cncn2)C1 1414263034 QYHUXXBSJWEWMS-LBPRGKRZSA-N 311.349 -0.073 30 20 DBED CC[C@@H](C(N)=O)N1CC[C@@](O)(CNC(=O)c2cc(C#N)c[nH]2)C1 1421352698 KIWDIJDJBDRENR-SWLSCSKDSA-N 319.365 -0.683 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCNC(=O)CNC(=O)c1ccccn1 1429304729 VSTOBOAIJMYPJP-NSHDSACASA-N 317.349 -0.454 30 20 DBED CCN(CCNC(=O)C[C@@H]1CCN(C)C1=O)C(=O)[C@@H](C)C#N 1429611624 NJCDVMUEMYCOMA-RYUDHWBXSA-N 308.382 -0.021 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(CCNC(=O)[C@@H]2CCN(C)C2)CC1 1429781739 KQGSLSPTOLSIRC-UONOGXRCSA-N 321.425 -0.642 30 20 DBED CCN(CCNC(=O)[C@@H](C)C#N)C(=O)c1cn(CCOC)nn1 1431689758 ZGJVEAZJRVDLFN-NSHDSACASA-N 322.369 -0.338 30 20 DBED CC[C@H](CNC(=O)[C@@H]1CCC(=O)N1)NC(=O)c1c[nH]c(C#N)c1 1432766589 VSRGOETWVADSSS-PWSUYJOCSA-N 317.349 -0.210 30 20 DBED CC[C@@]1(CO)CCCN1C(=O)Cn1cc(C#N)c(O)nc1=O 1433925656 UWSJMEUNGOGZNI-AWEZNQCLSA-N 306.322 -0.416 30 20 DBED CC[C@@H](CNC(=O)Cn1ccc(O)nc1=O)NC(=O)[C@H](C)C#N 1451021650 YDJHCHZOFJNQPT-ZJUUUORDSA-N 321.337 -0.880 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CCCN(Cc2nc(=O)n(C)[nH]2)C1 1479903487 WHRWIWBXVSMODY-VXGBXAGGSA-N 321.381 -0.773 30 20 DBED C[C@H](C#N)C(=O)N(C)CCN1CCN(C(=O)c2cnn[nH]2)CC1 1497857461 KVYMSHUGWUUGKZ-LLVKDONJSA-N 319.369 -0.819 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2ccnc(OC)n2)C1 1566768785 PYBRMUKUQAOEFS-NSHDSACASA-N 317.349 -0.961 30 20 DBED C#Cc1cncc(C(=O)NCCN(C)C(=O)CNC(=O)O)c1 1573314107 XMHRWZZKLJLHPA-UHFFFAOYSA-N 304.306 -0.481 30 20 DBED C=CCCC[C@@H](NC(=O)Cn1cc(C(=O)OC)nn1)C(=O)O 1573357532 OHHJTOKHTOIXBP-SECBINFHSA-N 310.310 -0.010 30 20 DBED C[C@@H](CNC(=O)[C@H](C)C#N)N(C)c1cncc(-c2nn[nH]n2)n1 1573575966 CEKOKTNADQWYNP-BDAKNGLRSA-N 315.341 -0.243 30 20 DBED N#C[C@H]1CC[C@@H](NS(=O)(=O)N2CCN(C(=O)O)CC2)C1 1574241964 SIWKIOBBXZENPE-VHSXEESVSA-N 302.356 -0.191 30 20 DBED COC[C@@H]1CN(c2cnc(C#N)c(-c3nn[nH]n3)n2)C[C@@H](C)O1 1579746574 AHZABLJEFHREEX-BDAKNGLRSA-N 316.325 -0.232 30 20 DBED C=CCOCC(=O)N1CCCN(C(=O)[C@H]2C[C@@H]2C(=O)O)CC1 1588849616 CEMACDAZKKPLJI-RYUDHWBXSA-N 310.350 -0.029 30 20 DBED Cn1ncc(C(=O)O)c1NC(=O)C(=O)N1CC[C@@](C)(C#N)C1 1601022128 RMQSTLGQTNVQJC-ZDUSSCGKSA-N 305.294 -0.181 30 20 DBED N#Cc1ccc([C@@H](C(=O)O)N2CCN(C(=O)CO)CC2)cc1 1601095014 DQYHCRYCRSUATI-AWEZNQCLSA-N 303.318 -0.180 30 20 DBED CC#CC[C@H](CO)NC(=O)C(=O)Nc1cnn(CC(=O)O)c1C 1602946435 WYAHHUDPYLPBBE-SNVBAGLBSA-N 322.321 -0.895 30 20 DBED CCN(CCC#N)C(=O)CN1C[C@@H](C(=O)O)[C@@H](C(=O)OC)C1 1605438349 YOLVSQBNKSQPBW-MNOVXSKESA-N 311.338 -0.446 30 20 DBED COCCN1C(=O)C[C@H](N2CCC(C#N)(C(=O)O)CC2)C1=O 1606893264 JVVPONCKUNMKEC-JTQLQIEISA-N 309.322 -0.549 30 20 DBED Cn1ccc([C@H](NS(=O)(=O)c2cccnc2C#N)C(=O)O)n1 1608127322 XEORHYHQFDJINP-NSHDSACASA-N 321.318 -0.209 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N[C@@]1(C(=O)O)CCSC1 1609631056 NTIOBYYCSCBFLQ-SCZZXKLOSA-N 307.397 -0.127 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@H](CNCC(=O)NC)C2)nc1 1752958553 JRMOVQCMISLCKY-CYBMUJFWSA-N 300.362 -0.139 30 20 DBED C#CCNC(=O)CN(CCC)CCNC(=O)[C@H]1CCN(C)C1 1753149929 VLAPLILENOMTQC-AWEZNQCLSA-N 308.426 -0.484 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@H](N(C)C(=O)c2ncn(C)n2)C1 1753435342 QOUZLTQXDIHHHZ-NEPJUHHUSA-N 318.381 -0.901 30 20 DBED C#CCCNC1(CNC(=O)CNS(=O)(=O)NC)CCCC1 1753666902 OVGLESJKXOJKGT-UHFFFAOYSA-N 316.427 -0.918 30 20 DBED C=CCOCC(=O)N(C)[C@@H](C)CN[C@H](C)C(=O)NC(=O)NC 1753681759 CSIVWLATFGPTBY-WDEREUQCSA-N 314.386 -0.530 30 20 DBED N#CCNCC[C@@H]1CCCCN1C(=O)C[C@@H]1CC(=O)NC1=O 1753790824 SXPZNUVHBXFYHT-RYUDHWBXSA-N 306.366 -0.076 30 20 DBED N#CCNC(=O)CNC[C@H]1CCC[C@@H]1NC(=O)c1cnon1 1753900472 YFDBDFYCEBEEQB-ZJUUUORDSA-N 306.326 -0.803 30 20 DBED C#CCNC(=O)[C@H](C)NCCCN(C)C(=O)CN1CCCC1 1754412901 BSKMRQFDRFXELE-AWEZNQCLSA-N 308.426 -0.342 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2csnn2)[C@H](C)C1 1754599042 YOTMCVNSEQEHLK-MNOVXSKESA-N 321.406 -0.130 30 20 DBED CC#CCN1CCC[C@](CO)(NC(=O)[C@H]2CCCN2C(C)=O)C1 1754860737 INFJODQGMVLJDC-WBVHZDCISA-N 321.421 -0.036 30 20 DBED C#CCCNCCN(CCO)C(=O)[C@@H]1CCC[C@H](C(N)=O)C1 1754892898 DBHBZOYBULAIIN-UONOGXRCSA-N 309.410 -0.288 30 20 DBED N#CCNC(=O)CNC[C@H]1CC[C@H](NC(=O)[C@H]2CCOC2)CC1 1754949553 IXEZIPDIHCEIDJ-IHRRRGAJSA-N 322.409 -0.073 30 20 DBED C=CCNC(=O)CN[C@H]1CN(C(=O)Cc2cnn(C)c2)C[C@H]1C 1755104501 FLLFDVDPVAOYIO-OCCSQVGLSA-N 319.409 -0.299 30 20 DBED C=CCCN[C@H]1CN(C(=O)CN(C)S(C)(=O)=O)C[C@H]1C 1755124217 TWMOOUAKSNFBSZ-NEPJUHHUSA-N 303.428 -0.110 30 20 DBED C#CCNC(=O)[C@H](C)NCC1CC(NC(=O)c2n[nH]cc2C)C1 1755210187 VSBBGSUYXZARBP-HIFPTAJRSA-N 317.393 -0.046 30 20 DBED COCC#CCNC[C@H](C1CC1)N(C)C(=O)[C@H](C)NC(C)=O 1755555761 DLVMBNAOGJMOIY-SWLSCSKDSA-N 309.410 -0.013 30 20 DBED C#CCNC(=O)CN[C@H](CO)CNC(=O)[C@@H]1CC12CCCC2 1755643352 JVIUKNHUCQQWKL-STQMWFEESA-N 307.394 -0.617 30 20 DBED CC#CCN[C@@H](CO)CNC(=O)CC(=O)NCC(F)(F)F 1755644167 YFBNBQOOEKUZIQ-SECBINFHSA-N 309.288 -0.855 30 20 DBED C#CCNC(=O)CN(C)C[C@@H](O)CN(C)C(=O)[C@@H]1[C@H]2CCC[C@H]21 1755799563 PSRCOQUMKAYOSN-NYTXWWLZSA-N 321.421 -0.467 30 20 DBED C#CCNC(=O)CNC[C@@H](NC(=O)[C@H](C)CC(N)=O)C(C)(C)C 1755829862 GXYUVFZBSVVFJD-VXGBXAGGSA-N 324.425 -0.632 30 20 DBED C#CCOCCC(=O)N1CC([C@@H](C)NC(=O)[C@H](C)CC(N)=O)C1 1756152432 POVZNLCBHXGWSW-VXGBXAGGSA-N 323.393 -0.499 30 20 DBED C=CCOCCCC(=O)NCC1[C@H]2CN(C(=O)C(N)=O)C[C@H]12 1756196383 JRUWEUFLHBXWPX-VXGBXAGGSA-N 309.366 -0.725 30 20 DBED C#CCNC(=O)CC(=O)NCCC[C@H](C)NC(=O)C#CC1CC1 1756303290 MQFJVPLBOIXLEJ-ZDUSSCGKSA-N 317.389 -0.060 30 20 DBED C=CCOCC(=O)N(C)C[C@@H](O)CNC(=O)c1cc(C)on1 1756654902 AXDQJPHLEGNAGL-NSHDSACASA-N 311.338 -0.265 30 20 DBED C=C[C@@H](CC)CC(=O)NC[C@@H](O)CN(C)C(=O)c1cnn[nH]1 1756670163 VRAIGRHZHZCOPI-WDEREUQCSA-N 309.370 -0.044 30 20 DBED COCCn1cc(S(=O)(=O)N2CCO[C@@H](C#N)C2)cn1 1771629649 YAIPWTQRXVWFGV-JTQLQIEISA-N 300.340 -0.557 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(O)n[nH]1)CCO2 1783049640 JTYJNMDLTUPTOF-AWEZNQCLSA-N 304.306 -0.808 30 20 DBED C[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C#N)CC3)C[C@@H]21 1791049215 DCPMJXKFWDNQTO-VOAKCMCISA-N 321.377 -0.349 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1cnc[nH]1 1794011086 AZQJAZOJVBRRKG-DRXBFXEBSA-N 316.361 -0.435 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)C(C)C 1801553132 KNYPHZZHKRWAIU-YWVIFJGQSA-N 307.394 -0.451 30 20 DBED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)COC)C2 1841053885 LBHPLGQBBWYSGR-WAYWQWQTSA-N 321.377 -0.305 30 20 DBED N#Cc1cccc(NC(=O)C(=O)N2CCO[C@H](C(N)=O)C2)c1 51891604 UIXNYNCGCVVJSG-NSHDSACASA-N 302.290 -0.791 30 20 DBED CCOCCCNC(=O)C1CCN(CC(=O)NCC#N)CC1 66494204 YDRNSRXQCANMHA-UHFFFAOYSA-N 310.398 -0.119 30 20 DBED C=C(C)CN(C)C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 180443660 SLQRMMZZGLRGAG-UHFFFAOYSA-N 305.338 -0.532 30 20 DBED CN1C(=O)C(=O)N(CC(=O)Nc2ccn(CCC#N)n2)C1=O 265538943 HAORZOMSEQQXCU-UHFFFAOYSA-N 304.266 -0.844 30 20 DBED C=CCN1CC[C@@H](N(C)S(=O)(=O)CCCC(=O)OC)C1=O 281463193 IOPSROXSWXMEBD-LLVKDONJSA-N 318.395 -0.012 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)CN2C(=O)CN(C)C2=O)C1=O 281730200 NZWGHNJHNZPJLY-JTQLQIEISA-N 308.338 -0.874 30 20 DBED CCS(=O)(=O)NCc1ccc(C(=O)NCC#CCO)cc1 283014857 WUJSXKMSMHSSTD-UHFFFAOYSA-N 310.375 -0.149 30 20 DBED CN1C(=O)C[C@H](C(=O)N2CCO[C@@H](C#N)C2)[C@H]1c1ccnn1C 328828175 SXAKKROKXXKXPY-MJVIPROJSA-N 317.349 -0.310 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1CCSC[C@H]1CO 330376205 OTBNVOIOEIAAFA-LLVKDONJSA-N 323.440 -0.497 30 20 DBED COc1cc(C/N=C(/O)N2CC[C@@H](S(N)(=O)=O)C2)ccn1 331054278 JTCFUQVZAOJMSJ-SNVBAGLBSA-N 314.367 -0.133 30 20 DBED CC(C)(C)C(=O)Cn1cc(C(=O)N2CC(O)(CC#N)C2)nn1 331430036 BRLFSGLKCTZKBF-UHFFFAOYSA-N 305.338 -0.006 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCCN(C)C(C)C)C1=O 338428320 AMYOWBHNDYIVRQ-UHFFFAOYSA-N 310.354 -0.580 30 20 DBED CCc1nn(C)c(OC)c1CNC(=O)Cn1cnc(C#N)n1 343079552 PFRAFGXFZIDAAN-UHFFFAOYSA-N 303.326 -0.229 30 20 DBED N#Cc1ncn(CCNC(=O)Nc2ccn(CC(F)F)n2)n1 349902730 KGKUFXLQQQNZLF-UHFFFAOYSA-N 310.268 0.433 30 20 DBED N#Cc1ccc(S(=O)(=O)N[C@@H](CO)C(N)=O)cc1Cl 352627223 SXKAXGATOYVHFZ-VIFPVBQESA-N 303.727 -0.664 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N(C)[C@H]1CCS(=O)(=O)C1 407976816 VNZURPRXAKVCEF-UWVGGRQHSA-N 309.413 -0.416 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(CC[C@H]2CCOC2)c1=O 418811196 PHXFWMKJKDBOAJ-LBPRGKRZSA-N 307.350 -0.030 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@@]2(C)CCCNC2=O)CC1 427516792 OVCAIBCEBXEUPI-INIZCTEOSA-N 322.409 -0.651 30 20 DBED COc1ccc(C#N)cc1NC(=O)C(=O)N1C[C@@H](O)[C@H](OC)C1 453968387 MBBHCSGNASXLQV-DGCLKSJQSA-N 319.317 -0.277 30 20 DBED C#CCNC(=O)CN1CCN(Cc2noc(CCC)n2)CC1 491208949 AXHMYQIWCYIEHR-UHFFFAOYSA-N 305.382 -0.111 30 20 DBED CNC(=O)CN1CCN(C(=O)c2ncc(C#N)cc2C)CC1 551739905 OGRBVIBADDCLMO-UHFFFAOYSA-N 301.350 -0.235 30 20 DBED CN1C(=O)CC[C@H](NC(=O)NC2CCN(CC#N)CC2)C1=O 591846160 MGMGGPGMEFPHGG-NSHDSACASA-N 307.354 -0.579 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H]2CCCN(C)C2)C1=O 594703040 KJTLMKSTHINZNS-LLVKDONJSA-N 322.365 -0.579 30 20 DBED CCNC(=O)CCCC(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[nH]1 736572428 BMKVUXJZXGQYEG-UHFFFAOYSA-N 317.313 -0.294 30 20 DBED C[C@@H](CC(=O)NCC(N)=O)/N=C1/NS(=O)(=O)c2ccccc21 742518381 MRBJUUHSXJIERK-QMMMGPOBSA-N 324.362 -0.895 30 20 DBED N#Cc1cccc(CNC(=O)COC(=O)c2nonc2N)c1 744869509 KOOLVHJFSUKEKI-UHFFFAOYSA-N 301.262 -0.003 30 20 DBED COc1cc(C#N)ccc1NC(=O)C(=O)NN1CCCNC1=O 756221428 FILGASYXDIONTK-UHFFFAOYSA-N 317.305 -0.048 30 20 DBED CON=CC(=O)NCc1ccc(S(=O)(=O)CCO)cc1 774097462 SQIUDCUCJPNTCE-UHFFFAOYSA-N 300.336 -0.299 30 20 DBED CC(C)[C@H](C#N)N1CCN(C(=O)CN2C[C@H]3C[C@]3(CO)C2)CC1 782625768 ZRWFQARVQSJGRF-HLLBOEOZSA-N 320.437 -0.007 30 20 DBED C#CCCS(=O)(=O)NCC1(O)CCC2(CC1)OCCO2 808301309 MZYRKMAJSZGJOI-UHFFFAOYSA-N 303.380 -0.023 30 20 DBED CNC(=O)[C@@H](O)CNS(=O)(=O)CC1(C#N)CCCCC1 809838003 NNVUIKBHQNMIEE-JTQLQIEISA-N 303.384 -0.513 30 20 DBED C=C[C@@H](O)C(=O)OCC(=O)N(CC)[C@H]1CCS(=O)(=O)C1 814548380 TUZORXQSZKYYOZ-VHSXEESVSA-N 305.352 -0.888 30 20 DBED CNC(=O)CNC(=S)NN=C1CCCc2nc(N)sc21 814844081 AVITTXFWRAMMRG-UHFFFAOYSA-N 312.424 -0.024 30 20 DBED C[S@@](=O)CCNCCS(=O)(=O)c1ccc(C#N)cn1 819031274 KTURAZQAMUWLCF-GOSISDBHSA-N 301.393 -0.305 30 20 DBED N#Cc1cc(-c2nn[nH]n2)c(N)nc1S[C@H]1CCNC1=O 822818649 FBVBWSMIHMJIET-ZETCQYMHSA-N 302.323 -0.304 30 20 DBED CC[C@@H](C#N)C(=O)N1CCS(=O)(=NS(C)(=O)=O)CC1 854590671 GUSMYQJJVVGQSH-VIFPVBQESA-N 307.397 -0.194 30 20 DBED C#CCN(CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1)C(C)C 932393650 DIIVXLXSMBFWNP-LLVKDONJSA-N 315.395 -0.657 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCN(C(=O)CC(N)=O)C1 940718837 KLEQOBZEPDOTMZ-SUNKGSAMSA-N 309.366 -0.440 30 20 DBED C#CCN1CC[C@@H](NC(=O)CN2CCCS2(=O)=O)[C@H](C)C1 942106261 NAYKJLBBZSRWRP-CHWSQXEVSA-N 313.423 -0.518 30 20 DBED C[C@H](C#N)C(=O)N1CCCN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)CC1 942152674 FZLQISGCWALBIZ-UPJWGTAASA-N 320.393 -0.069 30 20 DBED C#CCCN1CC[C@H](NC(=O)Cn2ncn(C)c2=O)[C@@H](C)C1 942199952 IHHSZPARGFKJEX-STQMWFEESA-N 305.382 -0.568 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]1CNC(=O)c1cn(C)c(=O)n1C 950633539 MINUVMNROSADQP-UWVGGRQHSA-N 305.338 -0.786 30 20 DBED Cn1ncc(C(=O)N[C@@]2(C)CCN(C(=O)C#CC3CC3)C2)n1 957203612 JJSKYCJFADPESG-HNNXBMFYSA-N 301.350 -0.051 30 20 DBED C=CCN1C[C@H](O)[C@H](CNC(=O)c2nc3ncc(C)cn3n2)C1 958167480 MMAHRAYDXUZHSO-NEPJUHHUSA-N 316.365 -0.359 30 20 DBED N#CCN1C[C@@H](O)[C@H](CNC(=O)c2cnc(C3CC3)nc2O)C1 958467948 PLBIFTDGGWERLU-ZYHUDNBSSA-N 317.349 -0.394 30 20 DBED CC#CCN1C[C@H](O)[C@H](CNC(=O)c2cnc(OCC)cn2)C1 958761882 ATWMCUXHQXCWRE-OCCSQVGLSA-N 318.377 -0.079 30 20 DBED CC#CCN1C[C@H]2C(NC(=O)c3cc(C(N)=O)cn3C)[C@@H]2C1 960833135 XOWMVRMLZCXUBW-VXGBXAGGSA-N 300.362 -0.193 30 20 DBED CO[C@H](C)C(=O)N1C[C@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 962139330 RKMZXRXRRKARQO-FXAINCCUSA-N 306.322 -0.777 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)CC2CCN(C)CC2)C1 963032719 XPHQCBOHNSTSMR-BNOWGMLFSA-N 322.409 -0.434 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CN(C(=O)c3ncn(C)n3)CCO2)C1 965367716 BKGRATWPGIEYDZ-JTQLQIEISA-N 318.337 -0.972 30 20 DBED C=C1CC(C)(C(=O)N2CCOC3(CN(C(=O)C(N)=O)C3)C2)C1 965483047 WAJDSBHTVRAQJW-UHFFFAOYSA-N 307.350 -0.732 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCN(C2CN(C(C)=O)C2)CC1 967223777 UNRWHUVAYYJDDR-INIZCTEOSA-N 318.421 -0.541 30 20 DBED C=CCCn1cc(C(=O)N[C@@H]2CN(CC(N)=O)CC[C@H]2C)nn1 968408223 BQJZREDHGIQYLR-VXGBXAGGSA-N 320.397 -0.220 30 20 DBED C=CCN1CC[C@H](N2CC([C@@H](C)NC(=O)c3cnn[nH]3)C2)C1=O 970025895 AGABJJDTQNQYRH-MFKMUULPSA-N 318.381 -0.358 30 20 DBED C=C(C)CCN1CC([C@H](C)NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 970504042 OXSJIMVEZZWAMI-JQWIXIFHSA-N 308.382 -0.013 30 20 DBED CN([C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1)[C@@H]1CCNC1=O 971289258 QSQWJFMYFAGVNT-WCQYABFASA-N 301.350 -0.079 30 20 DBED CC#CCN1CCO[C@@]2(CCN(C(=O)Cn3cncn3)C2)C1 972667258 MFAPBFZXHQFJEF-HNNXBMFYSA-N 303.366 -0.395 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)c3cnn[nH]3)C2)cn1 974298316 TZTIUOBZJGNUOO-TXEJJXNPSA-N 310.317 -0.128 30 20 DBED C=CCN1C[C@H]2C(CNC(=O)c3cnc(O)n(C)c3=O)[C@@H]2C1 978595291 KDFOPDDBGWLSPR-RYUDHWBXSA-N 304.350 -0.421 30 20 DBED CN1C[C@H](C(=O)N2C[C@]3(C)CN(CC#N)C[C@]3(C)C2)NC1=O 982429150 OEPOZGZWWDHBEX-DFBGVHRSSA-N 305.382 -0.296 30 20 DBED C[C@@H]1C[C@H](NCc2nnnn2C)CN1C(=O)c1cc(C#N)c[nH]1 988504395 XVFIOGYHUNNVLF-KOLCDFICSA-N 314.353 -0.197 30 20 DBED Cc1nonc1C(=O)N1CC(NC(=O)c2c[nH]c(C#N)c2)C1 990930895 HNXAHPBMQLWCSV-UHFFFAOYSA-N 300.278 -0.168 30 20 DBED C=CCCn1cc(C(=O)N[C@@H]2CCN(C(C)=O)C[C@@H]2O)nn1 991496533 DOGZXVIJUSXOPO-YPMHNXCESA-N 307.354 -0.434 30 20 DBED C#CCN[C@H]1CN(C(=O)c2cnc(O)n(C)c2=O)CC1(C)C 996121612 SVCLHAGBPVDDRE-NSHDSACASA-N 304.350 -0.441 30 20 DBED C[C@H](C#N)C(=O)N1CC(NC(=O)[C@H]2CN3CC4CC3(CO2)C4)C1 997055937 VLQHWAKORJQXRZ-CFFKWZFISA-N 318.377 -0.664 30 20 DBED C[C@H](NC(=O)c1cn(C)c(=O)nc1O)C1CCN(CC#N)CC1 997858251 NEKAQTIWTPHRIH-JTQLQIEISA-N 319.365 -0.160 30 20 DBED C#Cc1cncc(C(=O)NC2CN(C(=O)c3c[nH]c(=O)cn3)C2)c1 999316417 WQSURRSXDQAZGF-UHFFFAOYSA-N 323.312 -0.599 30 20 DBED C=CCN1CC[C@@H](n2cc(CNC(=O)[C@H]3CCC(=O)N3)nn2)C1 999961789 JXXOGLAGSRSIBT-CHWSQXEVSA-N 318.381 -0.394 30 20 DBED CO[C@H](C)C(=O)N1CCNC(=O)CCN(C(=O)[C@@H](C)C#N)CC1 1001777498 PXBALAJVUZTVKW-NWDGAFQWSA-N 324.381 -0.642 30 20 DBED CCN1CCO[C@H](C(=O)NCC2CN(C(=O)[C@H](C)C#N)C2)C1 1002285033 ALKYKZPBZCYVRZ-YPMHNXCESA-N 308.382 -0.559 30 20 DBED C[C@H](C#N)C(=O)N1CC(CNC(=O)c2ccc(C(N)=O)o2)C1 1003402745 IHKLFCPWYWUNDH-MRVPVSSYSA-N 304.306 -0.274 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCC1CN(C(=O)[C@@H]2CCNC2=O)C1 1004524587 MJPBQFGZKDEDPJ-UPJWGTAASA-N 321.377 -0.712 30 20 DBED CC#CCN1CCC[C@H](NC(=O)c2cnc(O)n(C)c2=O)C1 1008157272 KMDBAQSYRXFUAF-NSHDSACASA-N 304.350 -0.297 30 20 DBED C#CCN1CCC(C(=O)N2[C@H]3CC[C@H]2CN(CC(N)=O)C3)CC1 1018301646 SMJVISXDSQFRLW-GJZGRUSLSA-N 318.421 -0.508 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCN(C(=O)[C@H]3CCNC(=O)C3)C2)C1 1019362681 BWAPTSHRNIQPJA-RYUDHWBXSA-N 318.377 -0.267 30 20 DBED CSCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 1023327715 SAZQJJHZIWRIPC-GHMZBOCLSA-N 308.363 -0.449 30 20 DBED Cc1ncc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2O)c(C)n1 1025098977 MDLQUECPCLUILL-BZHVJNSISA-N 317.349 -0.445 30 20 DBED C#CCN[C@@H]1CC[C@@H]2CN(C(=O)c3cc(=O)n(C)cn3)C[C@@H]21 1026287271 QQBDSMSPKDPBAB-FRRDWIJNSA-N 300.362 -0.146 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)Cc3ccon3)C2)C1=O 1030167398 SMNKZMHLOIJZAH-ZDUSSCGKSA-N 304.350 -0.196 30 20 DBED C#CCN1CC(CNC(=O)c2cn(C3CCOCC3)nn2)C1 1032110908 UBJFBBIHDIXHLJ-UHFFFAOYSA-N 303.366 -0.076 30 20 DBED CCN(C(=O)[C@H]1CCS(=O)(=O)N1)[C@@H]1CCN(CC#N)C1 1034044491 LWETYDVXBRYPGO-GHMZBOCLSA-N 300.384 -0.876 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@]1(O)CCN(C(=O)c2ccon2)C1 1039576856 YOTIZISVVUGBNC-LSDHHAIUSA-N 323.349 -0.305 30 20 DBED CCc1cc(C(=O)N2CC[C@](O)(CNC(=O)[C@@H](C)C#N)C2)n[nH]1 1040764031 SYDQUFUYDWHLGM-BONVTDFDSA-N 319.365 -0.175 30 20 DBED Cc1cnoc1C(=O)NC[C@@]1(O)CCN(C(=O)[C@@H](C)C#N)C1 1040787603 JHVSMRBZNOSKCA-XPTSAGLGSA-N 306.322 -0.164 30 20 DBED N#Cc1cccnc1N1C[C@@H](O)[C@H](NC(=O)[C@@]23COC[C@@H]2C3)C1 1041398431 KMTWTKAEXFHCAY-VLXAULBPSA-N 314.345 -0.345 30 20 DBED Cc1nc(NC[C@@H]2CN(C(=O)C(N)=O)CCCO2)ccc1C#N 1041526397 XOHLMHHPEXDXBF-GFCCVEGCSA-N 317.349 -0.224 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(O)(CNC(=O)COC(C)C)C1 1041843844 SSZOTJOTDYUVKH-AWEZNQCLSA-N 314.382 -0.572 30 20 DBED CC[C@H](C(=O)NCC1(O)CN(C(=O)C#CC(C)C)C1)N(C)C 1043678606 RXQVVOJJOADRKP-CYBMUJFWSA-N 309.410 -0.325 30 20 DBED C=CCCCC(=O)N1CC(O)(CNC(=O)[C@H](C)CC(N)=O)C1 1044418004 HQFIJICXPGYUSW-LLVKDONJSA-N 311.382 -0.456 30 20 DBED COc1ccc(C(=O)N2CC(O)(CNC(=O)[C@H](C)C#N)C2)o1 1045546242 JWXMTTPCCBQCNK-SECBINFHSA-N 307.306 -0.249 30 20 DBED CC(C)n1cc(C(=O)N2CC(O)(CNC(=O)[C@H](C)C#N)C2)cn1 1045547399 ZHXDMPGZJIZINT-LLVKDONJSA-N 319.365 -0.073 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)[C@H]2CC23CC3)C1 1047147360 AVDZVMNDKFGAQY-GFCCVEGCSA-N 306.362 -0.484 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(N(C)C)nn2)C1 1047599473 VZYWYQSHEVUVSL-STQMWFEESA-N 305.382 -0.154 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cc[nH]n2)C1 1048327655 PLWXNRBKEYUNMN-DRZSPHRISA-N 320.349 -0.908 30 20 DBED C#CCN1C[C@H]2CN(C(=O)[C@@H]3CN4CCC[C@@H]4CO3)C[C@H]2C1 1048833446 NYIJJAHPIONJTJ-QXSJWSMHSA-N 303.406 -0.127 30 20 DBED CCCC(=O)NCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)C#N)C1 1049389109 UAIMWVPMCJADAD-SRVKXCTJSA-N 324.381 -0.908 30 20 DBED COCCC1(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)C#N)C2)CC1 1049402697 VWCKLSFEDCPNOD-AGIUHOORSA-N 323.393 -0.007 30 20 DBED C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)CCn1ncn(C)c1=O 1049611793 KPOQVGHWYFLKQA-ZIAGYGMSSA-N 317.393 -0.330 30 20 DBED C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cnc(O)n(C)c1=O 1049633764 LUNSMOPIIGCHEF-QWHCGFSZSA-N 316.361 -0.202 30 20 DBED N#Cc1ccc(C(=O)N2CC3(CCN(CC(N)=O)CC3)C2)[nH]1 1050488110 QSNIBIPCJPYAOD-UHFFFAOYSA-N 301.350 -0.090 30 20 DBED C=CCN1CC2(C1)CN(C(=O)c1cc(C(N)=O)cn1C)CCO2 1053326280 AQSLLGVTERUDGQ-UHFFFAOYSA-N 318.377 -0.163 30 20 DBED C#CCN1CC2(C1)CN(C(=O)[C@H]1CCCc3nn[nH]c31)CCO2 1053394892 RCGWOIOXJTZQRT-LBPRGKRZSA-N 315.377 -0.229 30 20 DBED C#Cc1cncc(C(=O)N2CCOC3(CN(CCCO)C3)C2)c1 1053422258 FHJPVBMNFVPOAS-UHFFFAOYSA-N 315.373 -0.028 30 20 DBED C#CCN1CC2(CC[C@@H](CNC(=O)[C@@H]3CCC(=O)N3C)O2)C1 1053646979 JTSAANGGZCMSKX-STQMWFEESA-N 305.378 -0.410 30 20 DBED CCNC(=O)CC(=O)N[C@@]1(CO)CCCN(C(=O)[C@H](C)C#N)C1 1055896647 LCCIOGOANUJQTL-ABAIWWIYSA-N 324.381 -0.858 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@](CO)(NC(=O)c2ncc[nH]2)C1 1055928482 AIHBRKJFEZZQRE-IINYFYTJSA-N 305.338 -0.347 30 20 DBED Cn1ccc(CC(=O)NC2[C@@H]3CN(c4nccnc4C#N)C[C@@H]23)n1 1056205041 XTZZIENYWFWEMA-VXGBXAGGSA-N 323.360 -0.125 30 20 DBED N#Cc1nccc(N2C[C@H]3[C@H](NC(=O)[C@H]4CCNC4=O)[C@H]3C2)n1 1056355919 QUXYSMDZXVMJHM-QISWUMQESA-N 312.333 -0.965 30 20 DBED CCn1cc(C(=O)N(CCO)CCNC(=O)C#CC2CC2)cn1 1057231530 AFASQTVEBOANKD-UHFFFAOYSA-N 318.377 -0.133 30 20 DBED C=C[C@](C)(O)CC(=O)N(CCO)CCNC(=O)c1cccn1C 1057450414 QGTMJROFKKJPFA-INIZCTEOSA-N 323.393 -0.097 30 20 DBED CC(C)[C@@H](O)C(=O)N(CCO)CCNC(=O)c1cc(C#N)c[nH]1 1057485684 PUOSZLYDQVFDMG-CYBMUJFWSA-N 322.365 -0.546 30 20 DBED C=C(C)CCC(=O)NCCN(CCO)C(=O)Cc1n[nH]c(C)n1 1057540843 IFGHJTBQYXRQRB-UHFFFAOYSA-N 323.397 -0.051 30 20 DBED N#Cc1cccnc1N1CCC(NC(=O)[C@@H]2CNC(=O)N2)CC1 1057933907 HQELIXLLLYAXTG-LBPRGKRZSA-N 314.349 -0.280 30 20 DBED C=C(C)C(C)(C)C(=O)N(CCO)CCNC(=O)Cn1cncn1 1058288059 OSWUMDLTMDJMSI-UHFFFAOYSA-N 323.397 -0.183 30 20 DBED Cn1ncc(C(=O)N2[C@H]3CC[C@H]2CN(c2nccnc2C#N)C3)n1 1058765615 FIRGOMWFDCQSSW-QWRGUYRKSA-N 324.348 -0.030 30 20 DBED N#Cc1nc(=N[C@H]2CCN(C(=O)c3cc[n+]([O-])cc3)C2)cc[nH]1 1058820654 GVDGUXXQGOFCAG-LBPRGKRZSA-N 310.317 -0.270 30 20 DBED C=CCOCC(=O)NC[C@H]1CC[C@H](NC(=O)CC(N)=O)CC1 1060696132 DXDAFLZRBYCVOX-HAQNSBGRSA-N 311.382 -0.144 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCOC[C@@H]1CNC(=O)C(F)F 1061173206 RAMPISMRPVVGIZ-ZANVPECISA-N 306.309 -0.078 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCOC[C@@H]1CNC(=O)c1cc[nH]n1 1061328010 ICFQABGQUZQYIG-XHDPSFHLSA-N 322.365 -0.306 30 20 DBED Cn1nnc(C(=O)NC[C@@H]2CCCN2c2cnc(C#N)cn2)n1 1061428149 OTXSLAKZPMLOOV-JTQLQIEISA-N 313.325 -0.729 30 20 DBED COCC1(C(=O)NC[C@@H]2COCCN2C(=O)[C@H](C)C#N)CC1 1061703054 KKLKRRUTAKNGBR-VXGBXAGGSA-N 309.366 -0.084 30 20 DBED Cc1cn(C)nc1C(=O)N1CCOC[C@@H]1CNC(=O)[C@@H](C)C#N 1061847910 NTCOKOBHISPFDX-JQWIXIFHSA-N 319.365 -0.155 30 20 DBED N#Cc1nccc(N2[C@H]3CC[C@H]2CN(C(=O)Cc2nc[nH]n2)C3)n1 1061988997 CGVRXYDJJYPVJY-QWRGUYRKSA-N 324.348 -0.111 30 20 DBED N#Cc1ccc(N2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CNC(=O)N2)cn1 1062569370 JJBRCEQYYILHCF-RWMBFGLXSA-N 312.333 -0.576 30 20 DBED N#Cc1cc(C(=O)NCC2(NC(=O)CC(N)=O)CCC2)c[nH]1 1062828275 TYVLUVNLAKULHF-UHFFFAOYSA-N 303.322 -0.470 30 20 DBED N#Cc1ccc(N2CCO[C@@H](CNC(=O)c3cnon3)C2)nc1 1063639944 VHZRGOJXQLVOKR-NSHDSACASA-N 314.305 -0.029 30 20 DBED CC(=O)N[C@H](C)C(=O)N1CCO[C@H](CNC(=O)C#CC(C)C)C1 1064816646 CPKADMJVDKUOBW-TZMCWYRMSA-N 323.393 -0.486 30 20 DBED O=C(Cn1cncn1)NC[C@H]1CN(C(=O)C#CC2CC2)CCO1 1065137426 SYGSXLVCIXBCFD-ZDUSSCGKSA-N 317.349 -0.965 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)[C@@H]2[C@H]3COC[C@H]32)CCO1 1065478692 AWWPYWVJGLUGDW-NYTXWWLZSA-N 320.389 -0.118 30 20 DBED C=CCCC(=O)N1CC2(C[C@H](NC(=O)CNC(N)=O)CO2)C1 1068689665 DBMGWKZBFIRZKI-JTQLQIEISA-N 310.354 -0.893 30 20 DBED C#CCN1CCn2ncc(CNC(=O)[C@@H]3COCCO3)c2C1 1069853454 RWIBEGZVNQJWDR-AWEZNQCLSA-N 304.350 -0.637 30 20 DBED CC#CCN1CCn2ncc(CNC(=O)[C@H]3COC(=O)N3)c2C1 1069859198 JTOYHXALGBZYGZ-GFCCVEGCSA-N 317.349 -0.553 30 20 DBED C=CCCN1C[C@H]2C[C@@H]3CN(C(=O)[C@H]4C[C@H]4C(N)=O)C[C@@]3(C1)O2 1070855871 YCTBJTHHEVFVRW-MNLSVMLLSA-N 319.405 -0.014 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CCCN(C(=O)CCS(C)(=O)=O)C1 1070955558 VEJUUTMJVTUPAB-GHMZBOCLSA-N 315.395 -0.312 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CCCN(C(=O)CCN2CCOCC2)C1 1070986375 KWPOGDVXONQJOZ-ZIAGYGMSSA-N 322.409 -0.024 30 20 DBED C#CCN1CC[C@@]2(C1)CN(C(=O)C(C)(C)C(N)=O)C[C@H](C)O2 1071178070 KIWZXPVVJOFSRM-BLLLJJGKSA-N 307.394 -0.177 30 20 DBED N#CCN1CCN([C@@H]2CCCN(C(=O)c3ncc[nH]3)C2)C(=O)C1 1071262745 RVLMGMYJBOECKL-GFCCVEGCSA-N 316.365 -0.318 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(C(=O)C(F)F)C[C@H]1C 1071425082 CTBDJQBLQQSAJT-RKDXNWHRSA-N 301.293 -0.646 30 20 DBED CC#CCN1CCC2(C1)CN(C(=O)CN1C(=O)CCC1=O)C2 1073414945 OZJRSARSZYKYRX-UHFFFAOYSA-N 303.362 -0.307 30 20 DBED C=C(C)CN1CCO[C@@H]2CCN(C(=O)Cn3cnnc3O)C[C@@H]21 1074211861 GDWXARCRUNLORS-QWHCGFSZSA-N 321.381 -0.139 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@@H]3OCCN(CC(N)=O)[C@@H]3C2)[nH]1 1074219040 JNJPPNBBJCOPAH-OLZOCXBDSA-N 317.349 -0.713 30 20 DBED C#CCOCCC(=O)N1CC[C@H](NC(=O)c2nc[nH]n2)C[C@H]1C 1075101943 OZTGONDZGBTIPC-NEPJUHHUSA-N 319.365 -0.046 30 20 DBED C[C@@H](CCNC(=O)c1c[nH]c(C#N)c1)NC(=O)[C@H]1CCNC1=O 1076218973 NSVUTZIPWHJDLV-CABZTGNLSA-N 317.349 -0.353 30 20 DBED C[C@@H](CC(=O)N[C@@H](C)CCNC(=O)C#CC1CC1)NC(N)=O 1076427944 VXTZVSGRSGOYSJ-QWRGUYRKSA-N 308.382 -0.142 30 20 DBED C#CCOCCC(=O)NCC[C@H](C)NC(=O)[C@]1(C)CCNC1=O 1076506000 JJXSNWJTQGBNFR-BLLLJJGKSA-N 323.393 -0.437 30 20 DBED C#CCOCCC(=O)NCC[C@H](C)NC(=O)[C@@H]1CCC(=O)N1C 1076507756 UPIYVYIDYJYNGU-STQMWFEESA-N 323.393 -0.342 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)c2cccn3c(O)nnc23)C1 1077995781 QXNQCDSRLGHPLK-VXGBXAGGSA-N 315.333 -0.767 30 20 DBED C[C@@H](CCNC(=O)c1cc(C(N)=O)c[nH]1)NC(=O)[C@H](C)C#N 1078043248 QQMHRPXTVHXEBH-BDAKNGLRSA-N 305.338 -0.102 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 1081346759 MIMKBNOECIQOFR-KGLIPLIRSA-N 306.362 -0.462 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)COCCOC)C1 1081352720 XITFHKFKXOQIRE-CHWSQXEVSA-N 314.382 -0.449 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)C[C@@H]1CCCCC(=O)N1 1083259015 HCULNNWZLMXTQL-SOUVJXGZSA-N 319.405 -0.020 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)c2ccn(CCOC)n2)C1 1083629472 VMEPPLODCUUYRM-KGLIPLIRSA-N 308.382 -0.120 30 20 DBED C#CCCN1CC[C@@H]2CN(C(=O)c3cn(C)c(=O)n3C)[C@@H]2C1 1084856904 AGYIDHORNISVQB-CHWSQXEVSA-N 302.378 -0.107 30 20 DBED C=CCN[C@@H]1CCCC[C@H]1NC(=O)CN1CCN(C)C(=O)C1 1085250453 VCLXYMCIBJKZRE-ZIAGYGMSSA-N 308.426 -0.037 30 20 DBED C#CCN1CC[C@@H]1CN(C)C(=O)c1coc(S(N)(=O)=O)c1 1085678903 VBUGUZLZEWOPLP-LLVKDONJSA-N 311.363 -0.294 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2ccnc3ccnn23)[C@@H](O)C1 1090324088 UXTINXFKGBQFHL-PWSUYJOCSA-N 300.322 -0.582 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2cnn3ncccc23)[C@@H](O)C1 1090332410 XZYAXEMBZSAMSG-ZFWWWQNUSA-N 313.361 -0.082 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2ccn(C)c(=O)c2)[C@@H](O)C1 1090367514 GYKVTJLQUOIAHZ-KBPBESRZSA-N 303.362 -0.426 30 20 DBED C#CCN1CC[C@H](NC(=O)c2csc(NC(C)=O)n2)[C@@H](O)C1 1090382095 OQJKAFYVKJSIIU-JQWIXIFHSA-N 322.390 -0.100 30 20 DBED C#CCN1CC[C@H](NC(=O)c2ccc3c(n2)OCCO3)[C@@H](O)C1 1090393130 GILSLWQDZCXNOV-AAEUAGOBSA-N 317.345 -0.349 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(c2nccc(C)n2)C[C@@H]1O 1091101384 GGPYCORLHCTDCP-TYNCELHUSA-N 306.366 -0.222 30 20 DBED CCOCC(=O)N[C@@H]1CCN(c2ccnc(C#N)n2)C[C@@H]1O 1092129254 PKYCROSQYZZTRK-MNOVXSKESA-N 305.338 -0.559 30 20 DBED CC(=O)N[C@@H](C)C(=O)N1CCN(c2cncc(C#N)n2)CC1 1093131165 UYXRKXFTLCVHCF-JTQLQIEISA-N 302.338 -0.479 30 20 DBED Cn1cc(C(N)=O)cc1C(=O)NCCNc1cnc(C#N)cn1 1094250940 PEHYISIBOKXECP-UHFFFAOYSA-N 313.321 -0.372 30 20 DBED C=CCCN1CC(n2cc(CNC(=O)[C@@H]3COCCO3)nn2)C1 1094276453 OSSXBYNJVFCWKA-AWEZNQCLSA-N 321.381 -0.258 30 20 DBED C[C@H](NC(N)=O)C(=O)N1CCC[C@H](N=c2cc[nH]c(C#N)n2)C1 1095290898 PLYSJTXZMLPWSD-UWVGGRQHSA-N 317.353 -0.770 30 20 DBED CCC(=O)NCC(=O)NC1CCN(c2nccnc2C#N)CC1 1095398144 YQHMRTPGFGEZAA-UHFFFAOYSA-N 316.365 -0.041 30 20 DBED CN(CCCNC(=O)[C@@H]1CCCNC1=O)c1cnc(C#N)cn1 1095665719 VQMWJKCYRZAQFQ-GFCCVEGCSA-N 316.365 -0.183 30 20 DBED N#Cc1c[nH]ccc1=N[C@H](CNC(=O)[C@@H]1CCC(=O)N1)C1CC1 1096699137 ZLIMKWUDFGAEJD-UONOGXRCSA-N 313.361 -0.040 30 20 DBED CC[C@@H](NC(C)=O)C(=O)N1CC[C@H](N=c2cc[nH]c(C#N)n2)C1 1096979469 XCJFUBWFMPWCHT-NWDGAFQWSA-N 316.365 -0.302 30 20 DBED CNC(=O)CC(=O)N[C@H]1C[C@@H](Nc2nc(C)cc(C#N)n2)C1 1097179652 HWFTYNHVQCDFII-AOOOYVTPSA-N 302.338 -0.148 30 20 DBED COCC(=O)NCCC(=O)NC[C@@H](C)Nc1cncc(C#N)n1 1098329783 OCSKHEGULSIADI-SNVBAGLBSA-N 320.353 -0.582 30 20 DBED N#CCNC(=O)CN1CC[C@H](NC(=O)c2ccoc2)[C@H](O)C1 1099661270 XEPWLVXWDSKHGF-NWDGAFQWSA-N 306.322 -0.916 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)CCCCC)[C@@H](O)C1 1099675235 JLWIRPJRCITOSV-KGLIPLIRSA-N 309.410 -0.133 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(Cc2cnsn2)C[C@@H]1O 1099738714 RQPBQBMUWMFAPT-NEPJUHHUSA-N 312.395 -0.208 30 20 DBED C=CCOCCCC(=O)N[C@H]1CCN(CC(=O)NC)C[C@H]1O 1099763797 KRNLCJNGGWIAGH-QWHCGFSZSA-N 313.398 -0.733 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)/C=C(/C)CC)[C@H](O)C1 1099817661 CWIGWUOLOIPNOV-JKOFNFNQSA-N 307.394 -0.357 30 20 DBED Cc1nccc(CCC(=O)N[C@@H]2CCN(CC#N)C[C@H]2O)n1 1099931247 POLCVSWAPHQORK-ZIAGYGMSSA-N 303.366 -0.207 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)CN2CCCC2)[C@H](O)C1 1100110390 VEGIDLUBBDBEMO-HUUCEWRRSA-N 309.410 -0.717 30 20 DBED C=CCOCC(=O)NCC1CC(NC[C@@H](O)Cn2cccn2)C1 1100187990 VROGVMWFSZLEIX-YMAMQOFZSA-N 322.409 -0.069 30 20 DBED CCN(CCNC(=O)CN1CCOCC1)c1ccnc(C#N)n1 1100513174 LGJRVXALONJPFG-UHFFFAOYSA-N 318.381 -0.377 30 20 DBED N#CCNC(=O)CNC1CC(CNC(=O)CCn2ccnc2)C1 1100550354 FUCMKEMJCBUUKZ-UHFFFAOYSA-N 318.381 -0.603 30 20 DBED CCN(CCNC(=O)C(C)(C)C(N)=O)c1cnc(C#N)cn1 1100639597 OPMNHZULCHGWID-UHFFFAOYSA-N 304.354 -0.198 30 20 DBED C[C@@H]1CC[C@H](C(=O)NCC2CC(NCC(=O)NCC#N)C2)O1 1100688581 HKEOSIPSBRVURH-IKWCTNDRSA-N 308.382 -0.322 30 20 DBED CCN(CCNC(=O)[C@@H]1CNC(=O)N1)c1ccncc1C#N 1100699201 ZLCRFGIOEHWBNX-NSHDSACASA-N 302.338 -0.423 30 20 DBED CCN(CCNC(=O)[C@]1(C)CCNC1=O)c1nccnc1C#N 1100716251 RRDFZKDETRJLSV-OAHLLOKOSA-N 316.365 -0.183 30 20 DBED CNC(=O)CC(=O)NC[C@@H]1CCCN1c1nccnc1C#N 1100816104 NXAGLBXHCUYWFW-JTQLQIEISA-N 302.338 -0.431 30 20 DBED COC[C@H](O)CN1C[C@@H](C)[C@H](CNC(=O)CSCC#N)C1 1101736188 RTUXZIADPCNOCA-JHJVBQTASA-N 315.439 -0.065 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(C[C@H](O)COC)C[C@H]1C 1101961901 MNCUCPAMDQPUIV-KFWWJZLASA-N 312.410 -0.282 30 20 DBED COCC(=O)N(C)CC(=O)N(C)CCNc1ccc(C#N)nc1 1101999769 OZLBPQVXIOSCFQ-UHFFFAOYSA-N 319.365 -0.072 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@@H](C)[C@H](CNC(=O)c2cnn[nH]2)C1 1102118601 NJVZKVBJIVCLCA-IJLUTSLNSA-N 320.397 -0.207 30 20 DBED CN(C(=O)C1(C(N)=O)CC1)[C@@H]1CCN(c2cnc(C#N)cn2)C1 1102756076 OGCAGJQVKNDBNU-LLVKDONJSA-N 314.349 -0.349 30 20 DBED COCC#CCNCC[C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1C 1103860366 NZPKPWVWBOOJDH-CHWSQXEVSA-N 310.398 -0.621 30 20 DBED CNC(=O)NCC(=O)NC[C@@H](C)CN=c1cc(C)[nH]cc1C#N 1104246240 NFFQPNLGELEBHC-JTQLQIEISA-N 318.381 -0.223 30 20 DBED CCCC(=O)NCC(=O)N(C)[C@H](C)CN=c1cc[nH]c(C#N)n1 1104492732 KHBJPWUGQLNMPR-LLVKDONJSA-N 318.381 -0.055 30 20 DBED C#CCNCc1cn(C2CN(C(=O)[C@@H](C)n3cccn3)C2)nn1 1105169379 FWANGUIFTMIVRK-GFCCVEGCSA-N 313.365 -0.158 30 20 DBED C=CCNCc1cn(C2CN(C(=O)[C@@]34COC[C@@H]3C4)C2)nn1 1105244285 VBNMSABQOYYVOQ-NHYWBVRUSA-N 303.366 -0.027 30 20 DBED C=C(Cl)CNCc1cn(C2CN(C(=O)c3nc[nH]n3)C2)nn1 1105344157 QEXIAGWQLJANND-UHFFFAOYSA-N 322.760 -0.065 30 20 DBED CN(CCN(C)c1cncc(C#N)n1)C(=O)[C@H]1CC[C@@H]1C(N)=O 1105521554 NQKQRAGQKHQKOI-RYUDHWBXSA-N 316.365 -0.246 30 20 DBED C[C@@H]1CN(C(=O)c2cn[nH]c2)C[C@H]1CNCC(=O)NCC#N 1105860730 GHACZXFKFHQGRU-ZYHUDNBSSA-N 304.354 -0.653 30 20 DBED CO[C@H](C(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1)C1CCC1 1106037662 FDZWBSOKAHYRMD-RISCZKNCSA-N 319.365 -0.526 30 20 DBED N#Cc1cnc(NC[C@@H](O)CNC(=O)C2(F)CCOCC2)cn1 1106150352 RMMUUCVZRSRSTI-LLVKDONJSA-N 323.328 -0.244 30 20 DBED CC[C@H](C(N)=O)N1CC(n2cc(CNC(=O)[C@H](C)C#N)nn2)C1 1107149707 OIGBMIAUPWZUDY-BXKDBHETSA-N 319.369 -0.825 30 20 DBED C#CCCN1CC(n2cc(CNC(=O)CC(=O)NCC)nn2)C1 1107162982 XNSFMKIATSZLRQ-UHFFFAOYSA-N 318.381 -0.700 30 20 DBED C=CCNC(=O)CN1CC[C@@]2(CNC(=O)C(N)=O)CCC[C@@H]12 1107528302 RWSLINLMSQHKPD-IAQYHMDHSA-N 308.382 -0.865 30 20 DBED C#CCNC(=O)CN1CCO[C@](C)(CNC(=O)c2ccco2)C1 1107694650 MHOPPQDFLZOTBL-MRXNPFEDSA-N 319.361 -0.150 30 20 DBED CC#CCN1CCO[C@](C)(CNC(=O)C(=O)NCC(F)F)C1 1108040981 YKWCUFQGBWKHOG-CQSZACIVSA-N 317.336 -0.402 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)c1cc(C(N)=O)co1 1108117650 ZMJFBARGFIXYBA-MRVPVSSYSA-N 314.305 -0.308 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)COC[C@H]2CCOC2)C1 1108253748 QBEJPIWLZJPMKD-HOCLYGCPSA-N 310.394 -0.120 30 20 DBED CC#CCN1CCO[C@](C)(CNC(=O)[C@H]2CN(CC)CCO2)C1 1108408276 DPVAZCIONHCZQI-NVXWUHKLSA-N 323.437 -0.063 30 20 DBED C[C@@H](CN=c1cc[nH]cc1C#N)NC(=O)[C@@H]1CCCN1C(N)=O 1108427682 UYOOOXWPFAINRJ-GWCFXTLKSA-N 316.365 -0.165 30 20 DBED CCN(CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1109864807 VWOFDTOVUWPMAJ-RDBSUJKOSA-N 321.425 -0.311 30 20 DBED N#Cc1cnc(NCCN(CCO)C(=O)c2cc[nH]n2)cn1 1111427152 ZCVJYECNRAZKJZ-UHFFFAOYSA-N 301.310 -0.382 30 20 DBED C#CCOCCC(=O)N[C@]12CCC[C@H]1CN(CC(=O)NC)C2 1111744029 JHLCACXVIQZZOJ-BBRMVZONSA-N 307.394 -0.257 30 20 DBED C[C@H]1CN(c2ccnc(C#N)n2)CC[C@H]1NC(=O)CC(N)=O 1112395438 JELKJDVBFDGBRV-VHSXEESVSA-N 302.338 -0.445 30 20 DBED C=CCCO[C@H](C)C(=O)N1CCN([C@@H]2CCC(=O)NC2=O)CC1 1112676595 QXRRBHBPROWRFT-CHWSQXEVSA-N 323.393 -0.083 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(c2nccc(C)n2)C[C@H]1O 1112702466 RRDDGLXZKAWTFN-CHWSQXEVSA-N 306.366 -0.099 30 20 DBED C=CCOCC(=O)N1CCN(Cc2nnnn2C2CC2)CC1 1112708405 FLYUYENFQIBLON-UHFFFAOYSA-N 306.370 -0.145 30 20 DBED COC(=O)NCC(=O)NC[C@@H](C)N(C)c1nccnc1C#N 1113512646 MYOSMKICABEEET-SECBINFHSA-N 306.326 -0.355 30 20 DBED C#Cc1ccc(C(=O)N2CCN(CC(=O)NC(N)=O)CC2)cn1 1113557854 STMMGKVATXCVSN-UHFFFAOYSA-N 315.333 -0.984 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3cc(CC)[nH]n3)[C@H]2C1 1113889006 SUMGWJCTIRPAJM-RYUDHWBXSA-N 315.377 -0.619 30 20 DBED Cc1ocnc1C(=O)NC1[C@H]2CN(CC(=O)NCC#N)C[C@H]12 1113954244 WVNQLXIQAQGPBC-UWVGGRQHSA-N 303.322 -0.717 30 20 DBED C[C@H](C#N)C(=O)NC1[C@H]2CN(Cc3nnnn3C3CC3)C[C@H]12 1114067187 OJCVNCHKTXMNNB-MIMYLULJSA-N 301.354 -0.286 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@H]2CN(Cc3ncc(C)o3)C[C@H]12 1114158012 ONJCXJARKKVVQX-RYUDHWBXSA-N 316.361 -0.331 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)CCc3ncc[nH]3)[C@@H]2C1 1114206618 NFRMBWFLZYMBFI-VXGBXAGGSA-N 317.393 -0.309 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)C[C@H]3CCC(=O)NC3)[C@@H]2C1 1114392447 CNQQGEAMKIPJLQ-MGPQQGTHSA-N 319.405 -0.401 30 20 DBED C=C(C)CN1C[C@H]2C(NC(=O)CNS(=O)(=O)N(C)C)[C@@H]2C1 1114894386 FBLXPSQGQCMEAG-GHMZBOCLSA-N 316.427 -0.995 30 20 DBED C=C(C)CN1C[C@H]2C(NC(=O)COCc3nncn3C)[C@@H]2C1 1115046431 LYGHFOXEYUBELC-VXGBXAGGSA-N 305.382 -0.046 30 20 DBED CNC(=O)NCC(=O)N[C@@H](C)CCCNc1cnc(C#N)cn1 1115108535 NYGSMCKRJDHCRN-JTQLQIEISA-N 319.369 -0.026 30 20 DBED CN(CCOCCNC(=O)c1nc[nH]n1)c1ccc(C#N)nn1 1115225786 DIWSCKXKCWVIGA-UHFFFAOYSA-N 316.325 -0.651 30 20 DBED C#CCC(C)(C)C(=O)OCC(=O)N[C@@H]1CCS(=O)(=O)C1 1116611130 UBHTUGWYZWGILX-SNVBAGLBSA-N 301.364 -0.118 30 20 DBED C[C@@H](O)[C@@H]1CCCN(C(=O)C(=O)NC2CCN(CC#N)CC2)C1 1117327058 USBCFFRGXSPHDE-CHWSQXEVSA-N 322.409 -0.290 30 20 DBED CNC(=O)NCC(=O)N(C)C[C@H](C)Nc1nccnc1C#N 1120817794 MEUIDBBWAQNJKG-VIFPVBQESA-N 305.342 -0.464 30 20 DBED Cc1ccc(C(=O)NC[C@H](CO)N=c2cc[nH]c(C#N)n2)o1 1121176859 AECINJVZPVBTSL-SNVBAGLBSA-N 301.306 -0.126 30 20 DBED Cc1ncc(C(=O)NC[C@H](CO)Nc2ccc(C#N)nn2)[nH]1 1121235954 UTCRIDCBBFDLEV-SNVBAGLBSA-N 301.310 -0.417 30 20 DBED CC(C)(C)OCC(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1 1121353711 VWRCJOSFMIGAFH-SNVBAGLBSA-N 307.354 -0.526 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)[C@]2(F)CCOC2)nn1 1122411066 NRDJJLAHXPEYHM-GWCFXTLKSA-N 309.301 -0.634 30 20 DBED C=CCOCC(=O)NCCN[C@@H]1CCN(c2cnn(C)c2)C1=O 1124773585 UFQZKCAKNCZMIB-CYBMUJFWSA-N 321.381 -0.566 30 20 DBED CN(CCOCCNc1cncc(C#N)n1)C(=O)CC(N)=O 1127248037 YLUPJBVWZRBKGK-UHFFFAOYSA-N 306.326 -0.889 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 1129900203 ALZJKOVTRUUVPO-QJPTWQEYSA-N 303.366 -0.643 30 20 DBED C=CCN[C@@H]1CN(C(=O)CNC(C)=O)C[C@H]1c1cn(C)cn1 1130478811 GGRBVMDZJRQBGT-GXTWGEPZSA-N 305.382 -0.374 30 20 DBED C=CCOCCNCCNC(=O)c1ccc(S(N)(=O)=O)o1 1130805715 JOIJBPYFNHLJJE-UHFFFAOYSA-N 317.367 -0.551 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1cncc2[nH]ccc12 1130834744 CTFMNRWOUGMINK-UHFFFAOYSA-N 300.322 -0.478 30 20 DBED CC#CCN1C[C@H](NC(=O)CNC(=O)CNC(C)=O)CC[C@H]1C 1132131630 GZGXAXAKOKJPNI-TZMCWYRMSA-N 322.409 -0.769 30 20 DBED Cn1nnc(C(=O)NCCNCc2cc(C#N)ccc2F)n1 1132523560 OLICDQKIZOBHGF-UHFFFAOYSA-N 303.301 -0.260 30 20 DBED CC#CCNC[C@H]1CN(C(=O)Cn2c(O)nnc2O)CC[C@@H]1C 1133271089 NHMSWVFRFVXQSX-RYUDHWBXSA-N 321.381 -0.213 30 20 DBED C[C@@H]1CCN(C(=O)c2cn(C)c(=O)nc2O)C[C@@H]1CNCC#N 1133314577 OOTVOFUXMBLWQS-MNOVXSKESA-N 319.365 -0.303 30 20 DBED C[C@H](C[C@@H](C)NC(=O)C1CCOCC1)NCC(=O)NCC#N 1133530697 SCGUGTXCMUYMBT-VXGBXAGGSA-N 310.398 -0.074 30 20 DBED COCC#CCN[C@H](C)C[C@H](C)NC(=O)CS(C)(=O)=O 1133836848 VBJOBKJSHZDLNJ-NEPJUHHUSA-N 304.412 -0.446 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)Cc1ccn(C)n1 1134335838 CVOBPYGVXXXEJA-CHWSQXEVSA-N 319.409 -0.415 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)Cn1cncc1C 1135028894 JWPHJBOBHUEAJL-STQMWFEESA-N 319.409 -0.186 30 20 DBED C=CCCn1cc(C(=O)NCCNCC(=O)NCCC)nn1 1135071265 CEKGBBFUEWEORV-UHFFFAOYSA-N 308.386 -0.300 30 20 DBED CC(C)c1nnnn1CC(=O)NC[C@@H]1CN(CC#N)CCCO1 1150425427 IVGKNWPQJXXMOZ-GFCCVEGCSA-N 321.385 -0.473 30 20 DBED C#CCNC(=O)CNCCNC(=O)C(=O)Nc1ccc(C)cc1 1150766227 YYMVCCTXVYQQOY-UHFFFAOYSA-N 316.361 -0.611 30 20 DBED CO[C@H](C(=O)NCCNCC(=O)NCC#N)C1CCCCC1 1153965765 VGXQJSBYDJFUNH-AWEZNQCLSA-N 310.398 -0.073 30 20 DBED NC(=O)NC(=O)CN1CC=C(CCNC(=O)C#CC2CC2)CC1 1160081839 YITOJTWMQQBUEX-UHFFFAOYSA-N 318.377 -0.267 30 20 DBED COCC#CCNCCCNC(=O)C[C@@H]1CCCS1(=O)=O 1163368887 YJZKGKBDXWCCRS-ZDUSSCGKSA-N 316.423 -0.301 30 20 DBED C=CCNC(=O)CNCCCNC(=O)Cc1c(C)nn(C)c1C 1163536254 TZCZZCRLKGMGAI-UHFFFAOYSA-N 321.425 -0.022 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)[C@@]1(C)CCC(=O)NC1 1164441539 BKZXDEVGXMDRTD-LRDDRELGSA-N 322.409 -0.864 30 20 DBED C#CCO[C@H](C)C(=O)NCCC1(CNCC(=O)N(C)C)CC1 1164504595 DVRACAHVYUMVGL-CYBMUJFWSA-N 309.410 -0.011 30 20 DBED COc1cccnc1CC(=O)NCCCNCC(=O)NCC#N 1164588534 HFPOSSNULXEDMY-UHFFFAOYSA-N 319.365 -0.632 30 20 DBED CNC(=O)CC(=O)N[C@H](C)CCCCNCC(=O)NCC#N 1170363077 IUJABABBPCFTOK-LLVKDONJSA-N 311.386 -0.973 30 20 DBED C#CCN1CCC(C(=O)NCCCNCc2nnnn2C)CC1 1176926422 LSKWLNSODPFXNK-UHFFFAOYSA-N 319.413 -0.849 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2ocnc2C)[C@H]1C 1178422268 DDGIZLSUVCJPII-RYUDHWBXSA-N 304.350 -0.075 30 20 DBED C[C@@H]1CN(C(=O)c2cc[nH]n2)C[C@@]1(C)CNCC(=O)NCC#N 1180668046 BDEFNEHSRJKKSU-IAQYHMDHSA-N 318.381 -0.263 30 20 DBED C=CCNC(=O)[C@H](C)N(C)[C@@H]1CCN(C(=O)CNC(=O)CC)C1 1189427939 LRHWOCONBVZTBO-QWHCGFSZSA-N 324.425 -0.264 30 20 DBED COCC#CCN(C)[C@@H]1CCN(C(=O)[C@H](C)S(C)(=O)=O)C1 1190957485 RSGVHKJSBDHWAY-QWHCGFSZSA-N 316.423 -0.398 30 20 DBED C[C@@H](c1cnccn1)N1C[C@@H](O)[C@H](NC(=O)CSCC#N)C1 1191162223 OQOOFTYWJNKVIH-CYZMBNFOSA-N 321.406 -0.044 30 20 DBED C=CCCC(=O)N[C@@H]1CN(CCN(C)S(C)(=O)=O)C[C@H]1O 1191724848 UAPJKTLLZDQZKV-VXGBXAGGSA-N 319.427 -0.995 30 20 DBED COc1ccc(CN2C[C@@H](O)[C@H](NC(=O)[C@H](C)C#N)C2)cn1 1191854278 KQNGAHXIRNJRHI-RAIGVLPGSA-N 304.350 -0.089 30 20 DBED CC(C)(C)C#CC(=O)N[C@@H]1CN(Cc2nc(O)n[nH]2)C[C@H]1O 1192870601 BUUXDMYEEBXILS-NXEZZACHSA-N 307.354 -0.779 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)C23CCN(CC2)C3)C1 1193468146 BETGTNVGNVXKMN-AWEZNQCLSA-N 318.421 -0.636 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)[C@H](C)OCC=C)C1 1194397257 RPBNBRGKXFXDBG-UONOGXRCSA-N 307.394 -0.140 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]nc2C)C1 1195163251 OQWVSQOZJVPCAT-RAIGVLPGSA-N 321.381 -0.816 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1CN(CC(=O)N2CCCC2)C[C@H]1O 1195286754 KHKBNXJQEUJPBZ-CHWSQXEVSA-N 309.410 -0.018 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2CN(CC#CCOC)C[C@H]2O)c1 1196046777 XXZZKKMLFGPUEK-HZPDHXFCSA-N 313.357 -0.512 30 20 DBED CC(C)(C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1O)C(F)F 1196060921 DVLKLEGHYXDSQA-RKDXNWHRSA-N 318.324 -0.921 30 20 DBED CO[C@H](C(=O)N1CCCO[C@H](CNCC#N)C1)c1cnn(C)c1 1201079288 HSUWQGKALAFVTP-KGLIPLIRSA-N 321.381 -0.162 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)COCCN(C)C)CCCO1 1201864710 ZUBHCWHFZPUIBL-OAHLLOKOSA-N 311.426 -0.205 30 20 DBED N#CCSCC(=O)N1CCC[C@H](NCc2nc(O)n[nH]2)C1 1207410733 VVHSXWHQBUMWLU-VIFPVBQESA-N 310.383 -0.152 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCN(C(=O)Cc2ncc[nH]2)C1 1210302869 HVZBNBWGSNVZPC-LLVKDONJSA-N 304.354 -0.827 30 20 DBED CN1CC[C@H](C(=O)N2CCC[C@H](NCC(=O)NCC#N)C2)C1 1211065516 WCGCUNGKCHSIGQ-STQMWFEESA-N 307.398 -0.842 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2ncccn2)C[C@H]1OC 1212258274 PXQOHCWQWHAPBR-BFHYXJOUSA-N 318.377 -0.170 30 20 DBED CC#CCN[C@@H]1CN(C(=O)c2nccnc2C(N)=O)C[C@H]1C 1216717740 WIGSSWIPUWDNGE-GHMZBOCLSA-N 301.350 -0.351 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN([C@@H](C)C(=O)NC(N)=O)C[C@@H]2O)C1 1220320943 OBPPIIFMIPTYQO-AXFHLTTASA-N 324.381 -0.913 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)CN2CCC[C@H]2C)C1 1220351963 OMKKLNWZOGEQLE-KFWWJZLASA-N 309.410 -0.718 30 20 DBED CCn1ncc(C(=O)N[C@@H]2CN(CC#CCOC)C[C@@H]2O)c1C 1220594123 RTPPYGBWBMZKAK-CABCVRRESA-N 320.393 -0.364 30 20 DBED CN(C)[C@H](C(=O)N[C@@H]1CN(CC#N)C[C@@H]1O)c1ccccc1 1221096159 NRUVAHLEVODNAS-ILXRZTDVSA-N 302.378 -0.026 30 20 DBED CC(=O)N[C@@H](CCC(N)=O)C(=O)NCC1CCN(CC#N)CC1 1224854613 FSMRNBAIEZNPAP-ZDUSSCGKSA-N 323.397 -0.892 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)C23CCN(CC2)C3)CC1 1230046928 MOIZVFRMSHSUKX-UHFFFAOYSA-N 320.437 -0.035 30 20 DBED C#CCN1CCS(=O)(=O)[C@H](CCNC(=O)Cc2ncc[nH]2)C1 1230512151 JPQODAUEQWLFRU-GFCCVEGCSA-N 324.406 -0.809 30 20 DBED COCC#CCN1CC[C@H]1CN(C)C(=O)C[C@H](C)NC(N)=O 1234277299 YSBMGGPTZJBNDG-STQMWFEESA-N 310.398 -0.384 30 20 DBED C=CCCn1cc(C(=O)N2CCO[C@@H](c3nn[nH]n3)C2)nn1 1325844628 ZJDNYWYBLBAYEX-SNVBAGLBSA-N 304.314 -0.419 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)NCCOCC(F)F)C1 1326918399 HJFQOIJHSAQVCI-LBPRGKRZSA-N 305.281 -0.739 30 20 DBED COCCN(CC#N)C(=O)Cn1nc2n(c1=O)CCCCC2 1328168366 SKIPTUUGKPUJEE-UHFFFAOYSA-N 307.354 -0.230 30 20 DBED C#CCN1CCC(C(=O)Nc2ccc(=O)n(CC(N)=O)c2)CC1 1332572270 IVZPBXYRCVAQHB-UHFFFAOYSA-N 316.361 -0.383 30 20 DBED C#CC[C@@H]1NC(=O)N(C2CCN(C(=O)CCOC)CC2)C1=O 1333646791 ZZDGREGZHGSBKT-LBPRGKRZSA-N 307.350 -0.042 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](CCN)C2)CCN1C1CC1 1334386426 HVXZQBKBCINWMD-GXTWGEPZSA-N 319.409 -0.618 30 20 DBED C#CCNC(=O)C1CCN(C(=O)C(=O)NC/C=C/Cl)CC1 1336463609 OLEZOAABERQUOI-ZZXKWVIFSA-N 311.769 -0.157 30 20 DBED C#CCN(C)c1nnc(CN2CCC(O)CC2)n1CCOC 1341387307 AFNZOGPXUFOAEO-UHFFFAOYSA-N 307.398 -0.049 30 20 DBED C=CCCC[C@@H](N)C(=O)NCCN1CCS(=O)(=O)CC1 1341572131 XSUIJAAKVKOAQJ-GFCCVEGCSA-N 303.428 -0.483 30 20 DBED C=C(CC)CNC(=O)C(=O)N1CCN(CC(=O)NC(C)C)CC1 1348779708 BDDCYVRMVZYMFZ-UHFFFAOYSA-N 324.425 -0.262 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)NCCCN2CCCCC2)C1 1349171291 XHJRRYUQTCEZDC-INIZCTEOSA-N 322.409 -0.144 30 20 DBED CCN(CC(C)(C)O)C(=O)CCn1cc(C#N)c(O)nc1=O 1362422617 BPCFXAAHBWWERG-UHFFFAOYSA-N 308.338 -0.170 30 20 DBED COC(=O)NCC(=O)N1CCC[C@@H](N(C)C(=O)[C@@H](C)C#N)C1 1373205191 LZSSASVTDCVWCG-WDEREUQCSA-N 310.354 -0.049 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)c2cccc(=O)n2C)CC1 1379112111 WVWRFBZLEDBWLL-SNVBAGLBSA-N 302.334 -0.076 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H](CNC(=O)CN2CCOCC2)C1 1386376465 JJUXLEUAQUGWFV-KBPBESRZSA-N 322.409 -0.167 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C(=O)CNC(=O)C(C)(C)C)CC1 1396723251 CWXIQSHZLSZVAE-NSHDSACASA-N 308.382 -0.021 30 20 DBED C[C@@H](C#N)C(=O)NC1CN(C(=O)C[C@H]2CCS(=O)(=O)C2)C1 1398692717 PKLOIHNKCMMGSZ-VHSXEESVSA-N 313.379 -0.702 30 20 DBED CC[C@@H](CNC(=O)c1nc2ncccn2n1)NC(=O)[C@H](C)C#N 1409412332 VHXIYCSPGNVUFN-ZJUUUORDSA-N 315.337 -0.091 30 20 DBED C[C@H](C#N)C(=O)NCCN(C(=O)CCn1ccnn1)C1CC1 1415884344 XHGNGBCKQPWTKJ-LLVKDONJSA-N 304.354 -0.065 30 20 DBED C[C@@H](C(=O)N[C@H](CC(N)=O)C1CCOCC1)n1cnc(C#N)n1 1416148267 SAASVMPSBBWZSH-GXSJLCMTSA-N 320.353 -0.502 30 20 DBED CN(Cc1ncccn1)C(=O)CCn1cc(C#N)c(O)nc1=O 1419043530 PMURRKNCGPITRG-UHFFFAOYSA-N 314.305 -0.341 30 20 DBED C[C@H](C#N)C(=O)N1CCC(N(C)[C@H](C)C(=O)NC(N)=O)CC1 1422932381 MSUXUQLTOGEYHL-NXEZZACHSA-N 309.370 -0.348 30 20 DBED C[C@H](C#N)C(=O)NCCN1CCN(C(=O)[C@H]2CCOC2)CC1 1429798476 NJYPHRGYPLEKHR-OLZOCXBDSA-N 308.382 -0.557 30 20 DBED Cc1nc(N2CCN(S(=O)(=O)CC3(C#N)CC3)CC2)n[nH]1 1434609724 FEAAUDSGIYBMEW-UHFFFAOYSA-N 310.383 -0.131 30 20 DBED N#CCCn1ccc(NC(=O)N2CC[C@H](S(N)(=O)=O)C2)n1 1434704843 COUYQUCAUORWBB-VIFPVBQESA-N 312.355 -0.309 30 20 DBED CCN(C(=O)Cc1nc[nH]n1)[C@H]1CCN(C(=O)[C@@H](C)C#N)C1 1450799998 RVCAWBBNXOLVDZ-QWRGUYRKSA-N 304.354 -0.044 30 20 DBED C[C@H](CO[C@H]1CCOC1)NC(=O)Cn1cc(C#N)c(O)nc1=O 1466009034 IITZPUMPTHAYAA-KOLCDFICSA-N 322.321 -0.869 30 20 DBED N#Cc1ccc(S(=O)(=O)NC2CN(c3ccncn3)C2)cn1 1475607391 OIUKUUPLBUPGNT-UHFFFAOYSA-N 316.346 -0.090 30 20 DBED CCc1cc(C(=O)NC[C@H](O)CNC(=O)[C@@H](C)C#N)n(C)n1 1501605891 VBGFEAVTELJSPK-GXSJLCMTSA-N 307.354 -0.651 30 20 DBED C=C(CCC(=O)OC)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O 1573338420 AFDVYZVKWLCNPX-IUCAKERBSA-N 300.311 -0.410 30 20 DBED Cc1nc(C(=O)N[C@@H]2CN(C(=O)O)C[C@@H]2CO)ccc1C#N 1574180728 MCMYDHVJWMMCCI-ZYHUDNBSSA-N 304.306 -0.038 30 20 DBED C#CCCN1CC[C@H](NC(=O)CCCc2cnn[nH]2)[C@@H](O)C1 1574883462 XLECXAXLUJPHKJ-KBPBESRZSA-N 305.382 -0.298 30 20 DBED CN1CC[C@@](O)(CNc2cnc(-c3nn[nH]n3)c(C#N)n2)C1 1579348354 BHIHDJMIUFRJDD-GFCCVEGCSA-N 301.314 -0.993 30 20 DBED C#CCCN1CCN(CCN(C)C(=O)[C@@H]2C[C@@H]2C(=O)O)CC1 1588453808 VDYBZEONSNSXDC-KGLIPLIRSA-N 307.394 -0.194 30 20 DBED C=CCn1cc(CNC(=O)N2C[C@@H](C(=O)O)C[C@@H](O)C2)nn1 1588908956 BTQMCTCFVFEOAB-GXSJLCMTSA-N 309.326 -0.559 30 20 DBED C[C@@](O)(CNC(=O)C(=O)Nc1cccc(CC#N)c1)C(=O)O 1589137834 CPWISMNEPLHWQY-CQSZACIVSA-N 305.290 -0.357 30 20 DBED COCCO[C@@H]1CCN(c2cnc(C#N)c(-c3nn[nH]n3)n2)C1 1591433538 IGKDXSGOTZJUOL-SECBINFHSA-N 316.325 -0.230 30 20 DBED N#Cc1cn(CC(=O)O)c(=O)n(CCC[C@@H]2CCOC2)c1=O 1594633219 QUDLGJRDDVQJFU-SNVBAGLBSA-N 307.306 -0.217 30 20 DBED C=CCOCC(=O)NCCCN=c1cc[nH]cc1-c1nn[nH]n1 1602868577 PZMPRTNUGDPVCX-UHFFFAOYSA-N 317.353 -0.196 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@H](Nc2cnc(-c3nn[nH]n3)cn2)C1 1602983725 NCWZKELGGZSXDT-IWSPIJDZSA-N 313.325 -0.125 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCN(CC(=O)N(C)CC)C1 1665549703 PVQVEOCWOVLVIB-CABCVRRESA-N 320.437 -0.247 30 20 DBED C#CCNC(=O)CN(CC)CCNC(=O)[C@H]1C[C@@]12CCOC2 1753093275 YCDYKZCPJFXAKA-CZUORRHYSA-N 307.394 -0.400 30 20 DBED Cc1nnccc1C(=O)NC[C@H]1CCCN1CC(=O)NCC#N 1753105103 ZTLISMHNTYXGAG-GFCCVEGCSA-N 316.365 -0.381 30 20 DBED C=CCNC(=O)[C@H](C)N1CC(CNC(=O)CN2CCOCC2)C1 1753399207 AXGXZBHXEOXSBX-ZDUSSCGKSA-N 324.425 -0.943 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C[C@H]1CN2C(=O)c1cncn1C 1753423426 JTUKOJMHFZKECF-RYUDHWBXSA-N 303.366 -0.379 30 20 DBED C#CCNC(=O)CN1CC[C@@H](N(CC)C(=O)Cc2ncc[nH]2)C1 1753459704 RUBRSQBFOSUENT-CYBMUJFWSA-N 317.393 -0.376 30 20 DBED C[C@H](CN[C@@H]1CCC(=O)NC1=O)N(C)C(=O)c1cc(C#N)c[nH]1 1753688166 ZKAVXCGYODYEHJ-MWLCHTKSSA-N 317.349 -0.258 30 20 DBED C#CCNC(=O)[C@@H](C)NCCN(CC)C(=O)C[C@@H]1CCC(=O)N1 1754077358 PTYDWQLCESVKSN-OLZOCXBDSA-N 322.409 -0.769 30 20 DBED C#CCNC(=O)CNC[C@@H](C)NC(=O)CC1CCN(C)CC1 1754243793 WIXNORRZSVQSML-CYBMUJFWSA-N 308.426 -0.438 30 20 DBED C#CCNC[C@H]1CCCC[C@H]1NC(=O)CCS(=O)(=O)NC 1754339171 CTADWFOYJGEVMQ-CHWSQXEVSA-N 315.439 -0.177 30 20 DBED C=CCNC(=O)[C@@H](C)NC1(CNC(=O)[C@@H]2CCNC(=O)C2)CC1 1754510470 KTTNJYUWVSMAOU-VXGBXAGGSA-N 322.409 -0.558 30 20 DBED COCC#CCN1CC(N(C)C(=O)CN(C)C(=O)C2CC2)C1 1754576358 JAWWGSSNBFWGGA-UHFFFAOYSA-N 307.394 -0.353 30 20 DBED CN(C(=O)C[C@@]1(C)CCS(=O)(=O)N1)C1CN(CC#N)C1 1754586468 QXRQKDRDTKMTAG-GFCCVEGCSA-N 300.384 -0.876 30 20 DBED CC(C)(C)C#CC(=O)NC[C@@]1(O)CCN(CC(=O)N2CCC2)C1 1754751001 CSIDFEBCLHGPRT-KRWDZBQOSA-N 321.421 -0.179 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC(O)(CNC(=O)c2cc(C)co2)C1 1754772386 HCHFNYGROZEWKN-GFCCVEGCSA-N 319.361 -0.498 30 20 DBED C#CCN1CCC[C@@](CO)(NC(=O)c2cn(C)c(C)cc2=O)C1 1754856063 CHFMMLVJPOMXIO-QGZVFWFLSA-N 317.389 -0.116 30 20 DBED CCn1nc(C)c(C(=O)N(CCO)CCNCC#CCOC)n1 1754898988 NHHUCJAWFVRTGY-UHFFFAOYSA-N 323.397 -0.720 30 20 DBED CC#CCN[C@]1(CO)CCCN(C(=O)C[C@@H]2COC(=O)C2)C1 1755084060 FFJLRRGCSBHGEU-XJKSGUPXSA-N 308.378 -0.094 30 20 DBED C#CCN[C@H](CCNC(=O)CN(C)S(C)(=O)=O)C(C)C 1755551297 VXLHVQARTZNNCV-GFCCVEGCSA-N 303.428 -0.369 30 20 DBED C[C@H](CN(C)C(=O)CC[C@@H]1CCOC1)NCC(=O)NCC#N 1755584349 WQNOXHCNTODQMS-CHWSQXEVSA-N 310.398 -0.121 30 20 DBED CN(C[C@H](O)CNCC#N)C(=O)Cc1cnn2ccccc12 1755781699 IDJWPEAMNWHGFR-CYBMUJFWSA-N 301.350 -0.191 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H](CO)CNC(=O)c1cc(C#N)c[nH]1 1756510790 OZKKEKRJKABWGS-CMPLNLGQSA-N 320.349 -0.316 30 20 DBED C[C@@H]1[C@H](C(=O)NC[C@@H](CO)NC(=O)C#CC2CC2)CCN1C 1756525555 XWOKWPKVKYVRJJ-KWCYVHTRSA-N 307.394 -0.667 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H](CO)NC(=O)c1ccc[nH]1 1756529967 LGUPOBKWSKUHQS-OCCSQVGLSA-N 318.377 -0.681 30 20 DBED C=CCCCC(=O)NC[C@H](CO)NC(=O)[C@H]1OCCO[C@H]1C 1756545471 CYAMOGJGDNKFKJ-SCRDCRAPSA-N 314.382 -0.260 30 20 DBED C=CCOCC(=O)N[C@@H]1C[C@H](C)N(C(=O)c2cn(C)nn2)C1 1756587240 GVWBATIVLBNZHS-WDEREUQCSA-N 307.354 -0.263 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1C[C@@H](CNC(=O)C#CC2CC2)C1 1757318245 SXDBLNYOEVPRLN-OKILXGFUSA-N 315.373 -0.450 30 20 DBED C=CC[C@]1(C(=O)O)CCN(Cc2cc(=O)n(C)c(=O)n2C)C1 1776162128 QNDFOZPVRMIOIZ-HNNXBMFYSA-N 307.350 -0.063 30 20 DBED C=CCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1781050302 VXSQJZNDMFFFEV-XEZPLFJOSA-N 323.393 -0.885 30 20 DBED CN1CC(C(=O)N2CC[C@@]3(CN(C(=O)CC#N)CCO3)C2)C1 1784780535 PVOUDQJBGODVJC-OAHLLOKOSA-N 306.366 -0.708 30 20 DBED C[C@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)C3(C#N)CCC3)C2)C1 1785369614 LDAYNJFJNYPTIL-LRDDRELGSA-N 321.377 -0.109 30 20 DBED CC[C@H](NC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC#N 1795083096 JHLLKOWVXIHCQB-OPDFLTKYSA-N 308.382 -0.512 30 20 DBED CC[C@@H](C)[C@H](O)C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846194814 RPHNLIYTTJMTCJ-RISCZKNCSA-N 322.361 -0.315 30 20 DBED C=CCC(=O)N1CCCC12CN(C(=O)[C@H](O)N1CCOCC1)C2 1846376993 FLWAFXYZBUJHKI-AWEZNQCLSA-N 323.393 -0.584 30 20 DBED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)C2CC(=O)C2)C1 1846992893 JIPHLLBBNLSZMZ-UHFFFAOYSA-N 304.302 -0.743 30 20 DBED CNC(=O)NC(=O)CCN1CCN(c2ccc(C#N)cn2)CC1 60480610 JSPBVKLXQCWRFO-UHFFFAOYSA-N 316.365 -0.079 30 20 DBED C[C@](C#N)(NC(=O)CN1CC[C@H](NS(C)(=O)=O)C1)C1CC1 116888583 QMQVETNNONXXRA-WCQYABFASA-N 314.411 -0.582 30 20 DBED N#Cc1cccc(CS(=O)(=O)N[C@@H](CC(=O)O)C(=O)O)c1 166511582 QMGSJJJHVCASAM-JTQLQIEISA-N 312.303 -0.094 30 20 DBED CCN1CCC[C@@H]1CN/C(N)=N/CCC(=O)N1CCN(C)CC1 170912766 QBJPRVFOHNNAQG-CQSZACIVSA-N 324.473 -0.461 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCC2(C)CCNCC2)C1=O 263321299 RLZBQPUAXJWZFC-UHFFFAOYSA-N 322.365 -0.531 30 20 DBED N#Cc1ccc(CS(=O)(=O)N2CCO[C@@H](C(N)=O)C2)cc1 288429793 SRGPMKDPWOUKOV-GFCCVEGCSA-N 309.347 -0.426 30 20 DBED CN(C)c1cc(C#N)cc(C(=O)NCCN2C(=O)CNC2=O)c1 294979093 ZYPRRTKSZPTLRF-UHFFFAOYSA-N 315.333 -0.094 30 20 DBED O/C(=N/[C@@H]1CCc2ncnn2C1)N1CCO[C@@]2(CCOC2)C1 329975320 ZOWHXAMSCIBUQG-RISCZKNCSA-N 307.354 -0.002 30 20 DBED CC(C)[C@@H](/C(O)=N/Cc1nnnn1C)N1CCCS1(=O)=O 330060578 MXFHCCWLZHMMFU-JTQLQIEISA-N 316.387 -0.273 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N[C@H](C)CN1CCCC1=O 330371185 HZCPZQDKPFIRAX-WDEREUQCSA-N 302.400 -0.077 30 20 DBED C=CCN(C(=O)[C@H](C)NS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 330476030 UMUJMBKKFRNNGM-VHSXEESVSA-N 324.424 -0.874 30 20 DBED CC[C@H](C[C@@H](C)CO)NS(=O)(=O)N1CCO[C@H](C#N)C1 337080831 XRMMACBSZBNOLX-IJLUTSLNSA-N 305.400 -0.158 30 20 DBED CCOCCOC[C@@H](O)CNS(=O)(=O)N(C)[C@H](C)CC#N 337832573 SUCUATQFSVDNMR-NEPJUHHUSA-N 323.415 -0.531 30 20 DBED C=CC[C@H](CO)CNC(=O)CSCC(=O)N1CCOCC1 342219611 YXFNYBDSZQIQGK-LBPRGKRZSA-N 316.423 -0.121 30 20 DBED N#CCN(CC#N)C(=O)[C@H]1CC[C@H](C(=O)N2CCOCC2)O1 342248213 DFDIMVBTSUBMIP-VXGBXAGGSA-N 306.322 -0.731 30 20 DBED C=CCOC[C@H]1NC(=O)N(CCn2cc([N+](=O)[O-])cn2)C1=O 348603577 GVRWEUKJZDDQBE-SNVBAGLBSA-N 309.282 -0.086 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)NC[C@H]1CN(C2CC2)CCO1 353002536 VQTSKLLCJADXLD-AAEUAGOBSA-N 310.398 -0.161 30 20 DBED CC[C@](C)(C#N)C(=O)N1CCN(CCS(N)(=O)=O)CC1 354386113 CGRWAVXMZHIGRW-GFCCVEGCSA-N 302.400 -0.641 30 20 DBED C=CCCCNC(=O)C(=O)NCCNC(=O)c1cnccn1 358362442 YGLNPAABNCWKDF-UHFFFAOYSA-N 305.338 -0.595 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCCN(C(=O)[C@@H]2CCCO2)CC1 360571522 PIANZMCXMJPGFD-KGLIPLIRSA-N 307.394 -0.162 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1CCC[C@@H](N2CCNC2=O)C1 368804870 JLNOAAKYFFLLOV-NWDGAFQWSA-N 323.397 -0.124 30 20 DBED C#CCCCS(=O)(=O)N1CC[C@@H](S(=O)(=O)NCC)C1 376345664 CCHLKHCIVXGCCO-LLVKDONJSA-N 308.425 -0.257 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)NC[C@@H](C)CNC)CC1 418370125 OXPICCKFFJTTCC-ZDUSSCGKSA-N 311.430 -0.529 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2cc(C)n(C)n2)C1=O 440287161 ZKFOERYBBOKTKF-NSHDSACASA-N 319.365 -0.088 30 20 DBED COC(=O)CCCN(C)S(=O)(=O)N1CCO[C@@H](C#N)C1 515502291 XMPCRQQQGXZFHT-JTQLQIEISA-N 305.356 -0.659 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C)[C@H](C)[C@H]2C)C1=O 540019456 YUDDOXBEKHQXEK-GHMZBOCLSA-N 322.365 -0.486 30 20 DBED N#Cc1ccc(S(=O)(=O)N[C@]2(C(N)=O)CCOC2)s1 563417034 NJAFYMUVZHYJBI-SNVBAGLBSA-N 301.349 -0.458 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N2CCC[C@@H](CCO)CC2)CCO1 566493138 MIFIOTATOZBMRT-CHWSQXEVSA-N 317.411 -0.060 30 20 DBED COC(=O)c1ccc(N2CCC[C@@H](S(N)(=O)=O)C2)c(C#N)n1 571776162 UAAQMPNWRYDFLN-SECBINFHSA-N 324.362 -0.003 30 20 DBED Cc1cc(C#N)nc(N2CCN(C(=O)C(=O)NC(C)C)CC2)n1 587061860 KJSVCEBJPRBGBY-UHFFFAOYSA-N 316.365 -0.170 30 20 DBED CN(C)S(=O)(=O)NCC(=O)N1CCCC(C)(C)[C@H]1C#N 590449171 VLGQEEUDVBGVNR-SNVBAGLBSA-N 302.400 -0.077 30 20 DBED Cn1cnc([N+](=O)[O-])c1N1CC(n2cc(C#N)c(O)nc2=O)C1 599129155 ZCWCCTVWQVJHJF-UHFFFAOYSA-N 317.265 -0.476 30 20 DBED Cn1ccnc1CNC(=O)C(=O)N1CCN(CCC#N)CC1 602248168 YIDDYMSFVCFKSU-UHFFFAOYSA-N 304.354 -0.906 30 20 DBED C=C[C@@](C)(O)C(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F 614693752 RDXOJOUGYWPWEV-IONNQARKSA-N 318.317 -0.138 30 20 DBED C=C[C@H](CO)NC(=O)[C@H](CO)NC(=O)Cc1ccc(F)cc1 620592726 WMNHSROSSABBPA-OLZOCXBDSA-N 310.325 -0.492 30 20 DBED CC#CC[C@@H](CO)NC(=O)c1cnc2c(c1)c(O)nc(=O)n2C 649191314 PNOGJMRVIIHHHL-JTQLQIEISA-N 316.317 -0.462 30 20 DBED C=CCOCCNC(=O)N1CCC[C@H](N2CCNCC2=O)C1 669555131 AKKVEUOCHVSLEC-ZDUSSCGKSA-N 310.398 -0.205 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)c1coc(S(N)(=O)=O)c1 757775790 MYRFERSSUOAFDI-ZETCQYMHSA-N 300.292 -0.778 30 20 DBED C#C[C@@H](NC(=O)C(=O)Nc1cc(C)c(=O)n(C)c1)[C@@H]1CCCO1 773791513 CIAXGCLBEWUAGK-OLZOCXBDSA-N 317.345 -0.071 30 20 DBED C#CCNC(=O)[C@@H](C)OC(=O)CCC[C@@]1(C)NC(=O)NC1=O 801428810 ILEIYTUVARVGKN-YMTOWFKASA-N 309.322 -0.564 30 20 DBED CNC(=O)CNC(=S)NN=Cc1cn(C)nc1C(F)F 812225272 BVHCJDSQEAOEIA-UHFFFAOYSA-N 304.326 -0.098 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@@](C)(C#N)CC(=O)O 819720342 XDTVHHBXVNXGKT-AMIZOPFISA-N 311.294 -0.066 30 20 DBED C[S@](=O)CCN1CCN(C(=O)[C@](C)(C#N)CC(=O)O)CC1 820899666 AITNMYVLSGBFMT-ZSEKCTLFSA-N 315.395 -0.486 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)CCCCCS(N)(=O)=O 845192575 HCYCWCYDEKXXIF-JTQLQIEISA-N 304.368 -0.484 30 20 DBED CC#CCS(=O)(=O)NC(=O)[C@@]1(c2ccccc2)CNC(=O)C1 847699221 OAZHSSZXQJMTHN-OAHLLOKOSA-N 320.370 -0.086 30 20 DBED C#CC[C@H](CO)NC(=O)[C@H](CO)NC(=O)c1ccc(F)cc1 854550767 YXTKINUIUPAPGK-OLZOCXBDSA-N 308.309 -0.583 30 20 DBED C#CC[C@H](NC(=O)[C@@H](C)n1cnc2c(N)ncnc21)C(=O)OC 854910323 TYNHTGINYRRHBH-BDAKNGLRSA-N 316.321 -0.349 30 20 DBED NC(=O)Cn1cc(C=NNCC(F)(F)C(F)(F)F)nn1 863183404 YFPKLOBMCSSFKY-UHFFFAOYSA-N 300.191 -0.116 30 20 DBED Cn1c(N2CCC[C@H]2C2OCCO2)c(C#N)c(=O)n(C)c1=O 897009337 AKNZWBRXSUBYHE-JTQLQIEISA-N 306.322 -0.703 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)c2[nH]cnc2CC)CC1 906581234 UUXDUDZGOPFTOA-UHFFFAOYSA-N 317.393 -0.131 30 20 DBED CN1CCN(C(=O)CCNS(=O)(=O)CC(C)(C)C#N)CC1 913935488 MNSSJEXNAPOXME-UHFFFAOYSA-N 316.427 -0.380 30 20 DBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCc1cc[nH]n1 917141320 APSGUWPYBABAJL-UHFFFAOYSA-N 319.346 -0.235 30 20 DBED CC#CCN1CC[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)[C@H](C)C1 944533321 PIJADUMYQPDEDJ-TZMCWYRMSA-N 319.409 -0.260 30 20 DBED CCN(C(=O)c1ccc(S(N)(=O)=O)o1)C1CN(CC#N)C1 950730833 FDZIITHTTUEKSD-UHFFFAOYSA-N 312.351 -0.403 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H](NC(=O)C2CC(=O)NC(=O)C2)C1 951868946 ZCVUMVQPZYWVCC-GXSJLCMTSA-N 320.349 -0.694 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@]2(CCN(C(=O)C3(C(N)=O)CC3)C2)C1 953210730 XMMZYLIGFNZUFN-NHYWBVRUSA-N 318.377 -0.137 30 20 DBED C[C@H](C#N)C(=O)N1CC(N(C)C(=O)C[C@@H]2CCN(C)C2=O)C1 954532377 CJMQHOUSDVTLGM-MNOVXSKESA-N 306.366 -0.316 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CN(C(=O)Cc2nc[nH]n2)C1 955366741 WQALKFYVZZNZAU-NEPJUHHUSA-N 319.365 -0.393 30 20 DBED C#CCCN1C[C@@H](O)[C@@H](CNC(=O)c2conc2COC)C1 958585403 YHNATRQGIGWDCO-SMDDNHRTSA-N 307.350 -0.133 30 20 DBED N#Cc1cc(C(=O)NC2[C@H]3CN(CCn4cncn4)C[C@H]23)c[nH]1 958617698 IYOJKJZJHRQVSD-STQMWFEESA-N 311.349 -0.162 30 20 DBED C#CCN1C[C@@H]2C(NC(=O)c3cn(-c4cccnc4)nn3)[C@H]2C1 960218304 ZQVQLALRHGLPMM-STQMWFEESA-N 308.345 -0.045 30 20 DBED C=CCn1cc(C(=O)NC2CC(CN[C@@H]3CCNC3=O)C2)nn1 962398478 PFUDWQDKWFFBDO-HTAVTVPLSA-N 318.381 -0.549 30 20 DBED C=CCCN1C[C@H]2[C@H](NC(=O)c3cn(C)c(=O)nc3O)[C@H]2C1 962531442 DEGWZJYKHFKXJM-IAZYJMLFSA-N 304.350 -0.278 30 20 DBED Cc1noc(C)c1CC(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1O 962991094 BTCHHMHXORNZGJ-CKLFPEKLSA-N 320.349 -0.318 30 20 DBED C[C@H](C#N)C(=O)N1CC2(C[C@@H](NC(=O)c3ccnn3C)CO2)C1 965648280 YRORMDCZWOCGIS-GHMZBOCLSA-N 317.349 -0.321 30 20 DBED CCN1CCO[C@H](C(=O)N(CC)C2CN(C(=O)[C@H](C)C#N)C2)C1 968018220 ZGHIHJPJRMVCOA-OCCSQVGLSA-N 322.409 -0.074 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](NCc2nc(=O)n(C)[nH]2)C1 970014127 BSAKAYMNDIUOLA-UTUOFQBUSA-N 321.381 -0.610 30 20 DBED C=C(C)CN1CC([C@H](C)NC(=O)C2CC3(C2)NC(=O)NC3=O)C1 970566365 HJUYEZQSLONHKZ-SGWRBKMISA-N 320.393 -0.013 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)Cn3cncn3)[C@@H]2C1 975274808 BKNIYVUZCCHDSR-IJLUTSLNSA-N 302.338 -0.503 30 20 DBED CC#CCN1C[C@H](NC(=O)CN2CC(=O)NC2=O)C(C)(C)C1 977360900 GOTJPPOUTKSMSW-NSHDSACASA-N 306.366 -0.612 30 20 DBED NC(=O)C(=O)N1C[C@H]2[C@H]3CC[C@@H]([C@H]2C1)N(C(=O)C#CC1CC1)C3 984278737 NYFVRFDRXRUKRK-XUXIUFHCSA-N 315.373 -0.420 30 20 DBED N#CCN[C@@H]1CCC[C@H]2CN(C(=O)C3CS(=O)(=O)C3)C[C@@H]21 992716791 WDGXZOGKEGWFED-WCFLWFBJSA-N 311.407 -0.229 30 20 DBED C#CCN1CCC[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)[C@@H]1C 994210791 MJBKULQGRQYSOZ-NWDGAFQWSA-N 306.366 -0.517 30 20 DBED COc1cc(C(=O)NC2CN(C(=O)C#CC3CC3)C2)nn1C 996840809 RGHUWJFSUKBZNN-UHFFFAOYSA-N 302.334 -0.217 30 20 DBED C#CCN1CC=C(CNC(=O)c2c[nH]nc2S(N)(=O)=O)CC1 1001133113 MDXMVRRAJUSXAN-UHFFFAOYSA-N 323.378 -0.948 30 20 DBED C#CCN1CCC(CNC(=O)c2nccnc2C(N)=O)CC1 1002106418 KDAJUFRBIICQCH-UHFFFAOYSA-N 301.350 -0.350 30 20 DBED C=CCn1cc(C(=O)NC2CCN([C@H](C)C(=O)NC)CC2)nn1 1003755385 YQVDEHYODDBLAH-LLVKDONJSA-N 320.397 -0.207 30 20 DBED C[C@@H](C#N)C(=O)N1CC([C@H](C)NC(=O)c2ccc(C(N)=O)[nH]2)C1 1006875080 AOKLIYDUITXIPE-IUCAKERBSA-N 317.349 -0.150 30 20 DBED CC1(C)CN(C(=O)CC(N)=O)C[C@@H]1NC(=O)c1c[nH]c(C#N)c1 1008079035 ZFWJNGHRYYPIHZ-NSHDSACASA-N 317.349 -0.271 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCCN(C(=O)Cn3ncnn3)C2)C1 1010829785 JQTSDINMDSQUDL-LLVKDONJSA-N 317.353 -0.716 30 20 DBED C=CCCn1cc(C(=O)N2CC[C@@H](NC(=O)C(N)=O)[C@H]2C)nn1 1011793817 DBJDFILIONJEPT-NXEZZACHSA-N 320.353 -0.941 30 20 DBED C[C@@H](N[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1)c1nnnn1C 1018730406 APQHIMZZZATCEA-KOLCDFICSA-N 314.353 -0.025 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCN(C(=O)Cn3cnnc3O)C2)C1 1019363182 NMRRUIQFOAMTOJ-SNVBAGLBSA-N 318.337 -0.796 30 20 DBED N#Cc1c[nH]c(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCO3)C2)c1 1022991545 JUSAFDWSTXUSBI-JHJVBQTASA-N 318.333 -0.633 30 20 DBED CC[C@H](F)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 1023331524 OBOBDUQCAGKGKE-MVWJERBFSA-N 308.313 -0.064 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2n[nH]c(C)c2O)C1 1023423324 ZGDJBULHPFOALP-NXEZZACHSA-N 322.365 -0.063 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2n[nH]c3c2CCC3)C1 1024542040 JMMLCGJCBOONCI-XXILOJSOSA-N 317.349 -0.640 30 20 DBED N#Cc1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cnco3)C2)[nH]1 1024846708 CRWFNGRQWUDZLS-GHMZBOCLSA-N 315.289 -0.510 30 20 DBED N#CCN1CCC[C@H]1CNC(=O)c1cnn2c(=O)cc[nH]c12 1028186657 QIQUVHSFQYRGDH-JTQLQIEISA-N 300.322 -0.260 30 20 DBED C=CCN1CCC[C@H]1CNC(=O)c1cc(=O)n2[nH]cnc2n1 1028260201 IREIIMLIVUICMN-JTQLQIEISA-N 302.338 -0.202 30 20 DBED C=C(Br)CN1CC(NC(=O)[C@@H]2COC(=O)N2)C1 1030268519 BRECPUUAKVHDGA-QMMMGPOBSA-N 304.144 -0.196 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)c3ccc(C)nn3)C2)C1=O 1030292834 YLPHHKXSEVRKBL-AWEZNQCLSA-N 315.377 -0.014 30 20 DBED N#Cc1cc(C(=O)N2CC[C@@H]3[C@@H](CCN3CC(N)=O)C2)c[nH]1 1036684640 LHTUZEJYRQZXRV-GXFFZTMASA-N 301.350 -0.092 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)CC3CS(=O)(=O)C3)CC[C@H]21 1036752826 GSNHLBATXXZKQA-ZIAGYGMSSA-N 310.419 -0.023 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)Cn3nc(C)n(C)c3=O)CC[C@@H]21 1036882184 HXRYQBNNMZFRBI-KGLIPLIRSA-N 317.393 -0.554 30 20 DBED CC[C@@H]1CN(C(=O)CN2C(=O)CN(C)C2=O)CC[C@H]1NCC#N 1037983044 DTAYSLIUCXXFGN-VXGBXAGGSA-N 321.381 -0.379 30 20 DBED N#Cc1cc(C(=O)NC[C@@H]2CCN2[C@H]2CCC(=O)NC2=O)c[nH]1 1038175937 WONPRBWRISOXLL-RYUDHWBXSA-N 315.333 -0.504 30 20 DBED CC(C)C#CC(=O)NC[C@]1(O)CCN(C(=O)Cc2nc[nH]n2)C1 1039665111 FDCZVGAEACACEP-OAHLLOKOSA-N 319.365 -0.914 30 20 DBED O=C(C#CC1CC1)NC[C@]1(O)CCN(C(=O)Cn2cccn2)C1 1039678412 VSCFUVBLPLOGRN-MRXNPFEDSA-N 316.361 -0.624 30 20 DBED C#CCCCCCC(=O)NC[C@]1(O)CCN(C(=O)C(N)=O)C1 1040491281 QTVIQMDFUPFFTH-OAHLLOKOSA-N 309.366 -0.865 30 20 DBED N#Cc1nccnc1N1C[C@@H]2CCN(C(=O)CC(N)=O)[C@@H]2C1 1040550656 ZQCVLNWRAUDNOL-GXSJLCMTSA-N 300.322 -0.739 30 20 DBED N#Cc1cnc(N2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CCCO3)C2)cn1 1040930712 HSPLSZMQKUECSO-YNEHKIRRSA-N 317.349 -0.417 30 20 DBED N#Cc1nccnc1N1C[C@@H](O)[C@H](NC(=O)C2=CCOCC2)C1 1040997583 JOXIHJRLRNDPDQ-CHWSQXEVSA-N 315.333 -0.639 30 20 DBED C=C(C)CCC(=O)N1CC(O)(CNC(=O)CNC(=O)CC)C1 1042107951 DLGDDWLBLUDESW-UHFFFAOYSA-N 311.382 -0.442 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)c2cnnn2CC)C1 1042905696 BHVFFUSLKOCEBG-UHFFFAOYSA-N 319.365 -0.595 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)c2[nH]c(O)nc2C)C1 1043485712 MEJKRSICXMOBHB-UHFFFAOYSA-N 308.338 -0.307 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)[C@@H](C)C2CCOCC2)C1 1043828538 BHEIYCJDUZSBNS-RYUDHWBXSA-N 323.393 -0.102 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)Cc3cncnc3)C2)nc1 1043922239 RJXYOWQCOAGLTG-KGLIPLIRSA-N 324.344 -0.348 30 20 DBED C=CCCCC(=O)NCC1(O)CN(C(=O)[C@H]2CC[C@@H]2C(N)=O)C1 1045462825 QOJGETQOBPZCJO-RYUDHWBXSA-N 323.393 -0.456 30 20 DBED Cc1ccncc1C(=O)N1CC(O)(CNC(=O)[C@@H](C)C#N)C1 1045541078 QHZZGQYREOJVOJ-NSHDSACASA-N 302.334 -0.147 30 20 DBED Cn1ccc(CC(=O)N2CCN([C@H]3CCN(CC#N)C3)CC2)n1 1046026909 HASNSMBINPFNFK-HNNXBMFYSA-N 316.409 -0.295 30 20 DBED C=C(C)CN1CC[C@@H](N2CCN(C(=O)Cn3ncnn3)CC2)C1 1046030725 ZMQLBQSWOCHMNZ-CQSZACIVSA-N 319.413 -0.532 30 20 DBED N#CCN1CC[C@H](N2CCN(C(=O)C[C@H]3CCC(=O)N3)CC2)C1 1046070309 RQSOYUXKDSDESC-KGLIPLIRSA-N 319.409 -0.603 30 20 DBED Cc1nccn1CC(=O)N1CCN([C@H]2CCN(CC#N)C2)CC1 1046084817 VNHNOJUONGOTCE-HNNXBMFYSA-N 316.409 -0.066 30 20 DBED C[C@]1(NC(=O)[C@@H]2CCc3nnnn3CC2)CCN(CC#N)C1 1046637062 JOKDQNLBQINIHL-RISCZKNCSA-N 303.370 -0.270 30 20 DBED C=CCN1CC[C@](C)(NC(=O)C2CC3(C2)NC(=O)NC3=O)C1 1046697524 MJKJYCFIKMRTIJ-CUMGRINNSA-N 306.366 -0.259 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)Cc2ccc(OC)cn2)C1 1047502930 UMRYXXHOAUGBGZ-GJZGRUSLSA-N 303.362 -0.231 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2c(C)nn(C)c2OC)C1 1047552833 ZADCKFIKUBFHQE-RYUDHWBXSA-N 306.366 -0.513 30 20 DBED C=C[C@@](C)(O)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cnco2)C1 1049121358 KCYWVRUQNYPYKO-ZIBATOQPSA-N 323.349 -0.355 30 20 DBED CC(=O)NCC(=O)N1CC[C@H]([C@@H](C)NC(=O)C#CC2CC2)C1 1049841451 YBJXFRZYAUHENF-RISCZKNCSA-N 305.378 -0.111 30 20 DBED C=CCOCC(=O)N1CC[C@H]([C@H](C)NC(=O)Cn2cncn2)C1 1050313546 OJNYVEHEJYOYCQ-STQMWFEESA-N 321.381 -0.166 30 20 DBED C=C(Cl)CN1CCOC[C@@H]1CNC(=O)[C@H]1COCCO1 1050822439 UVFPEBAICKTEDC-NWDGAFQWSA-N 304.774 -0.029 30 20 DBED C[C@@H]1[C@@H](NC(=O)[C@H]2CCNC2=O)CCN1c1ccnc(C#N)n1 1050850092 RTHWHHUTXDVHCU-VWYCJHECSA-N 314.349 -0.432 30 20 DBED N#CCN1CCOC[C@@H]1CNC(=O)c1ccoc1CC(N)=O 1051083731 JDZTVOMLMUOQQP-JTQLQIEISA-N 306.322 -0.738 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)Cn2cnnn2)C[C@H]1C 1051922294 PXNCPVKUBYDCPF-NEPJUHHUSA-N 322.369 -0.914 30 20 DBED N#Cc1cncc(NC2CC(CNC(=O)[C@@H]3CCC(=O)N3)C2)n1 1051972341 WZCOQEUILASZFG-CBINBANVSA-N 314.349 -0.066 30 20 DBED N#CCN1CCN([C@H]2CCN(C(=O)c3cnccn3)C2)CC1 1051974103 BNPSUZLMPPBYNP-ZDUSSCGKSA-N 300.366 -0.168 30 20 DBED C=CCN1CCN([C@@H]2CCN(C(=O)Cn3ncnn3)C2)CC1 1052025284 ARRCLZTYHJAHIZ-CYBMUJFWSA-N 305.386 -0.922 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1C 1053172630 WPUNIWSQNJSXTC-VXGBXAGGSA-N 318.381 -0.162 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC2(C1)CN([C@@H](C)c1nnnn1C)C2 1053192156 XHNCCTXKQACAJB-QWRGUYRKSA-N 319.369 -0.656 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)[C@@H]3CCCc4nn[nH]c43)CO2)C1 1053908680 YUXFNIRLJDXFQP-NWDGAFQWSA-N 315.377 -0.183 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)C(=O)N3CCC[C@@H](C)C3)CO2)C1 1053948841 RWFHYRRUGBWLOW-ZIAGYGMSSA-N 319.405 -0.162 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)C[C@@H]3CC(=O)NC3=O)CO2)C1 1054026012 OLXDJESCLGNODV-VXGBXAGGSA-N 319.361 -0.978 30 20 DBED C=CCCC(=O)NC1CCN(CCNC(=O)CC(N)=O)CC1 1055546707 IMONBZDBVUFJHW-UHFFFAOYSA-N 310.398 -0.475 30 20 DBED O=C(N[C@]1(CO)CCCN(C(=O)C#CC2CC2)C1)c1cn[nH]c1 1055795753 AQFDKPLAFYNKBI-MRXNPFEDSA-N 316.361 -0.094 30 20 DBED Cn1ncc(C(=O)N[C@H]2[C@@H]3CN(c4cnc(C#N)cn4)C[C@@H]32)c1N 1056177015 ZRPKFNYXPTUXRU-PJXYFTJBSA-N 324.348 -0.471 30 20 DBED N#Cc1cnc(N2C[C@H]3C(NC(=O)C45CCN(CC4)C5)[C@@H]3C2)cn1 1056265982 KLWHMBXZVDSDMJ-CHWSQXEVSA-N 324.388 -0.005 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)COCCCOC 1057168935 WBBQAGNKYANPAE-UHFFFAOYSA-N 316.398 -0.057 30 20 DBED C#CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)[C@@H]1CC1(F)F 1057508954 HLPKKZXTSCECEW-QWRGUYRKSA-N 318.320 -0.383 30 20 DBED C[C@]1(C(=O)N[C@H]2CCN(c3cnc(C#N)cn3)C2)CNC(=O)C1 1058493787 CNPDBVADXBQRHP-ZUZCIYMTSA-N 314.349 -0.431 30 20 DBED CN1C[C@@H](C(=O)N[C@H]2CCN(c3cnc(C#N)cn3)C2)CC1=O 1058578338 RMZPFECSVJQTPJ-QWRGUYRKSA-N 314.349 -0.479 30 20 DBED CN(C)CCC(=O)N(CCO)CCNC(=O)C#CC(C)(C)C 1058707675 JAROOEKQIBWPOL-UHFFFAOYSA-N 311.426 -0.075 30 20 DBED C=CCCCC(=O)NCCN(CCO)C(=O)[C@H]1C[C@H]1C(N)=O 1058855106 OZVQRZIIXSLPFN-NEPJUHHUSA-N 311.382 -0.599 30 20 DBED N#Cc1cnc(N[C@H]2CCN(C(=O)C3CS(=O)(=O)C3)C2)cn1 1058974633 WOSOHCKWQITCOM-JTQLQIEISA-N 321.362 -0.594 30 20 DBED N#Cc1nccnc1N1[C@H]2CC[C@H]1CC(NC(=O)C(N)=O)C2 1059510334 PREYUYBYLJRJNR-UWVGGRQHSA-N 300.322 -0.550 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 1060864712 ADCIGSMQJXYDTN-MFKMUULPSA-N 315.333 -0.256 30 20 DBED N#Cc1cnc(NC[C@@H]2CCN(C(=O)Cn3nccn3)C2)cn1 1060925762 WRSZICYRFOUEEO-NSHDSACASA-N 312.337 -0.100 30 20 DBED CC(C)(C(N)=O)C(=O)N1CC[C@H](CN=c2cc[nH]c(C#N)n2)C1 1060933648 PZCRYMINKMITTO-SNVBAGLBSA-N 316.365 -0.458 30 20 DBED C=CCCC(=O)NC[C@H]1COCCN1C(=O)[C@H]1CCNC(=O)C1 1061406755 LAXHFWGMUVKLKV-STQMWFEESA-N 323.393 -0.178 30 20 DBED N#Cc1cncc(N2CCC[C@H]2CNC(=O)[C@H]2CNC(=O)N2)n1 1061441308 UXBLJRDIZRVNKH-WDEREUQCSA-N 315.337 -0.885 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H]1CCCCN1C(=O)CC(=O)NC 1062154991 OSBXYYPBMACLGP-CHWSQXEVSA-N 323.393 -0.342 30 20 DBED N#Cc1cncc(N2C[C@@H]3C[C@H]2CN3C(=O)CCc2cnn[nH]2)n1 1062585022 ZOUUTJHBXALCSW-STQMWFEESA-N 324.348 -0.111 30 20 DBED CS(=O)(=O)CC(=O)N1CCC[C@@H]1CNc1cnc(C#N)cn1 1063447737 AMOHNPXTWOEUQV-LLVKDONJSA-N 323.378 -0.204 30 20 DBED C#CCOCCC(=O)NC1(CNC(=O)[C@@H]2CCC(=O)N2)CCC1 1063836980 BOMMGBQWPMBTNW-LBPRGKRZSA-N 321.377 -0.540 30 20 DBED C=CCO[C@H](C)C(=O)NC1(CNC(=O)[C@@H]2CCNC2=O)CCC1 1063913191 RIHHCVRTECKJNR-VXGBXAGGSA-N 323.393 -0.131 30 20 DBED N#Cc1nc(=NC[C@@H]2CCCN2C(=O)Cc2nc[nH]n2)cc[nH]1 1064950926 LUVAVZOXDUKLJG-JTQLQIEISA-N 312.337 -0.466 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)c2cnn(C)n2)CCO1 1065345450 SCLJZDPVZBUQRL-GFCCVEGCSA-N 319.365 -0.568 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)C(=O)NCC2CC2)CCO1 1065530032 ASLZYQVOWVVAQT-CYBMUJFWSA-N 323.393 -0.178 30 20 DBED C=CCCCC(=O)N1CCO[C@H](CNC(=O)c2nnn(C)n2)C1 1065546647 ZJQHRDMKXCQXDL-LLVKDONJSA-N 322.369 -0.476 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@H](CNC(=O)Cc2ccon2)C1 1065555836 AIUKSMKLKMQPGC-ZYHUDNBSSA-N 306.322 -0.280 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CCCN(C(=O)C2(NC(N)=O)CC2)CC1 1066475589 QLJPARXHQRYNLT-GHMZBOCLSA-N 321.381 -0.156 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CCCN(C(=O)c2nnn(C)n2)CC1 1066480635 GJTYYJRMGNISHF-NXEZZACHSA-N 305.342 -0.519 30 20 DBED C[C@@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1Nc1cncc(C#N)n1 1067149458 TZNYNJZOPXIRMI-KOLCDFICSA-N 313.325 -0.706 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)CCCN(C)C(=O)C1(C(N)=O)CC1 1067431910 YULPSHBIFJGZJE-LBPRGKRZSA-N 323.393 -0.403 30 20 DBED C[C@H](C#N)C(=O)N(C)CCCN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 1067447455 NSQBLWXCMLIWMQ-ZJUUUORDSA-N 323.353 -0.949 30 20 DBED C#CCN[C@@H]1CN(C(=O)CO[C@H]2CCOC2)C[C@@H]1n1ccnn1 1070193953 ZKKMQWHRTJUJIF-MJBXVCDLSA-N 319.365 -0.942 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCCN(C(=O)CN(C)C(C)=O)C1 1070457011 QSNYNNJUBKYQBA-CQSZACIVSA-N 323.393 -0.388 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@H]2COCCO2)C[C@H]1c1cn(C)cn1 1070472635 QNIRRUQWWJHOTE-NWANDNLSSA-N 318.377 -0.647 30 20 DBED C=CCOCC(=O)N1CCC[C@@H](NC(=O)[C@H]2CCC(=O)NC2)C1 1070547258 PCUSNVQUCPAALI-QWHCGFSZSA-N 323.393 -0.178 30 20 DBED C=CCOCCCC(=O)N[C@@H]1CCCN(C(=O)CC(N)=O)C1 1070573981 GNOOBJCQVKYFEC-GFCCVEGCSA-N 311.382 -0.048 30 20 DBED C#CCCN1C[C@H]2C[C@H]3CN(C(=O)[C@H]4COC(=O)N4)C[C@@]3(C1)O2 1070793282 DOOSWTUVKKSYOK-VPWBDBDCSA-N 319.361 -0.580 30 20 DBED C=CCCOCC(=O)N1CCC[C@@H](NC(=O)CC(=O)NC)C1 1070901453 ZTRMBDMQDJOAFM-GFCCVEGCSA-N 311.382 -0.178 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CCCN(C(=O)[C@@H]2CCNC2=O)C1 1071068064 RNUQEBUYUQICCL-CHWSQXEVSA-N 303.362 -0.357 30 20 DBED C=CCOCC(=O)N1C[C@H](C)[C@@H](NC(=O)CCc2nc[nH]n2)C1 1071809765 YLFIURUBBKSHJG-RYUDHWBXSA-N 321.381 -0.097 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C 1071925111 GXHOIGXRJAXPTE-BXKDBHETSA-N 317.349 -0.401 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H](C)[C@@H](NC(=O)c2cnco2)C1 1071940106 SYOKNSXFZRTSSY-QWRGUYRKSA-N 318.333 -0.609 30 20 DBED CC(C)C#CC(=O)N1C[C@H](C)[C@@H](NC(=O)Cn2cnnc2O)C1 1072035529 MQHVZVACVGVNRZ-RYUDHWBXSA-N 319.365 -0.394 30 20 DBED C=CCOCC(=O)N[C@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@@H]1C 1072636066 LFQZISLTCOZVPD-QWRGUYRKSA-N 309.366 -0.582 30 20 DBED C=C(Br)CN1CCC2(C1)CN(C(=O)C(N)=O)C2 1072934810 VXIXVBKALJTLPS-UHFFFAOYSA-N 302.172 -0.085 30 20 DBED CC#CCN1CCO[C@@H]2CCN(C(=O)c3cn(C)nn3)C[C@H]21 1074232882 HFBPVJGPLPFOHC-ZIAGYGMSSA-N 303.366 -0.246 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](NC(=O)CCOC)C[C@@H]1C 1074756639 KCUJCSUJVMPNAM-STQMWFEESA-N 323.393 -0.342 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)C1CCOCC1 1076218958 NBRLIBVIMKERFK-LBPRGKRZSA-N 323.393 -0.437 30 20 DBED C=CCn1cc(C(=O)N[C@@H](C)CCNC(=O)c2cnon2)nn1 1077991000 HBJPYQHGOLNNTN-VIFPVBQESA-N 319.325 -0.215 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)[C@H]1OCC[C@H]1C 1078517663 ZFNHGKZUEKULJB-XUJVJEKNSA-N 323.393 -0.438 30 20 DBED C=C(C)CN1C[C@@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)[C@H](C)C1 1080550286 ZWKXDKYPLALLDZ-GHMZBOCLSA-N 322.365 -0.580 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CO)(NC(=O)Cc2cnc[nH]2)CC1 1081030442 MLLPGRPONKGSBF-LLVKDONJSA-N 319.365 -0.418 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)CN(C)C(C)=O)C[C@H]1O 1081332797 KXNPRCAIFSEUHX-CHWSQXEVSA-N 311.382 -0.634 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)c2cn(C)cn2)C[C@@H]1O 1081336531 ZSYOTJDLEBMFPN-AAEUAGOBSA-N 306.366 -0.065 30 20 DBED C=C1CC(C)(C(=O)N2C[C@H](O)[C@H](CNC(=O)CC(=O)NC)C2)C1 1081433023 GBYYJRGSWHZGQQ-NEPJUHHUSA-N 323.393 -0.586 30 20 DBED C=CCC(CC=C)C(=O)N1C[C@@H](O)[C@@H](CNC(=O)C(N)=O)C1 1081719004 LBLHRQIMJXZTBC-NWDGAFQWSA-N 309.366 -0.824 30 20 DBED C=CCCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)Cc2nc[nH]n2)C1 1081790137 AGSYDHCTACSQTE-VXGBXAGGSA-N 321.381 -0.361 30 20 DBED Cc1ncc2n1C[C@@H](C(=O)N[C@@H]1CN(CC#N)C[C@@H]1O)CC2 1083731906 SVKYGTPQEKDVMD-YUTCNCBUSA-N 303.366 -0.561 30 20 DBED C=CCCN1CC[C@@H]2CN(C(=O)CN3CC(=O)N(C)C3=O)[C@@H]2C1 1084772699 LSTXMNHSXVRDDO-CHWSQXEVSA-N 320.393 -0.011 30 20 DBED C=C(C)CN1CC[C@@H]2CN(C(=O)Cn3nc(C)n(C)c3=O)[C@@H]2C1 1084805792 GTQAGTUZNYRCTB-ZIAGYGMSSA-N 319.409 -0.001 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@H]2CCNC2=O)C[C@H]1c1cnn(C)c1 1086991254 SCZNJLCSKMUVBD-MELADBBJSA-N 315.377 -0.927 30 20 DBED CNC(=O)CC(=O)N[C@H]1CC[C@@H](C)N(c2ccc(C#N)nn2)C1 1089129899 SJUVFUOPSQNPMB-PWSUYJOCSA-N 316.365 -0.042 30 20 DBED C[C@@H](C[C@@H](C)N=c1cc[nH]cc1C#N)NC(=O)Cn1ncnn1 1089401154 SLQDGUPXVUSOPS-MNOVXSKESA-N 314.353 -0.243 30 20 DBED CN(C)C(=O)CN1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)[C@H](O)C1 1090180620 SVVCNDHCUDFFTK-WCQYABFASA-N 319.365 -0.860 30 20 DBED N#CCN1CC[C@H](NC(=O)c2cnn3ncccc23)[C@H](O)C1 1090331982 PKFHWANCUDOCLJ-WCQYABFASA-N 300.322 -0.582 30 20 DBED CC(=O)N[C@H](C)C(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@H]1O 1090368414 FQORTJKNSGUSGP-GAJTVXKRSA-N 317.349 -0.856 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CN(c2cccc(F)c2C#N)C[C@H]1O 1090401924 BMCRSKUMNLBTDG-DGCLKSJQSA-N 320.324 -0.501 30 20 DBED C[C@@H]1CN(C(=O)CCNC(N)=O)C[C@H]1N=c1cc[nH]c(C#N)n1 1090975780 FLKPGANVJIWEHJ-NXEZZACHSA-N 317.353 -0.913 30 20 DBED C=CCn1cc(C(=O)NCC2CC(N[C@@H](C)C(N)=O)C2)nn1 1091271358 CTSRXEHRJAHBIL-WHXUTIOJSA-N 306.370 -0.564 30 20 DBED CC(=O)N[C@@H](C)C(=O)N[C@H]1[C@@H]2CN(c3ccc(C#N)nn3)C[C@@H]21 1093206939 BANQBWDGPCZGFL-HDRXNWCYSA-N 314.349 -0.576 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1[C@@H]2CN(c3ncnc4c3nnn4C)C[C@@H]21 1093234396 KXRBQHLFELPXRA-IMSYWVGJSA-N 312.337 -0.531 30 20 DBED C#CCNC1CCC2(CC1)CN(C(=O)[C@@H]1COC(=O)N1)CCO2 1093396377 JQOOMROXQDKFIK-UYJPIKCFSA-N 321.377 -0.142 30 20 DBED CCn1nccc1C(=O)NCc1cn(C2CN(CC#N)C2)nn1 1094286758 POEYYYGHWNBKMW-UHFFFAOYSA-N 314.353 -0.195 30 20 DBED C#CCN1CCN(C(=O)c2c[nH]nc2C)[C@@H]2CS(=O)(=O)C[C@@H]21 1094651075 GVRQOBNJRYBTCD-QWHCGFSZSA-N 322.390 -0.725 30 20 DBED N#Cc1cnc(NCCCNC(=O)[C@@H]2CNC(=O)N2)c(F)c1 1094749433 AZZXIRDGHRGRQR-JTQLQIEISA-N 306.301 -0.308 30 20 DBED CNC(=O)CC(=O)N1[C@H]2CC[C@H]1CN(c1ccnc(C#N)n1)C2 1096890082 WQGOGKHTXRQFGP-QWRGUYRKSA-N 314.349 -0.336 30 20 DBED C[C@@H](CNC(=O)C[C@@H]1CC(=O)NC1=O)N=c1cc[nH]cc1C#N 1097944508 ZRDQPRYSXWZQBN-VHSXEESVSA-N 315.333 -0.655 30 20 DBED C[C@H](CNC(=O)c1cn(C)c(=O)cn1)N=c1cc[nH]cc1C#N 1098429930 WKIXWIXIQRCUIE-SNVBAGLBSA-N 312.333 -0.301 30 20 DBED C[C@@H](CCNC(=O)[C@@H]1CCCNC1=O)N=c1cc[nH]c(C#N)n1 1099580586 WYZFSYFNIVHPMZ-WDEREUQCSA-N 316.365 -0.397 30 20 DBED Cc1ccc(C(=O)N[C@@H]2CCN(CC(=O)NCC#N)C[C@@H]2O)o1 1099641606 FGNOEDCPZCYWTM-NEPJUHHUSA-N 320.349 -0.607 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)CSC)[C@H](O)C1 1099651138 PTJQHGFRKMKCCI-GHMZBOCLSA-N 301.412 -0.797 30 20 DBED N#CCNC(=O)CN1CC[C@H](NC(=O)CCC2CCC2)[C@@H](O)C1 1099776412 RRPYAKNORNNPRM-KBPBESRZSA-N 322.409 -0.242 30 20 DBED CCCNC(=O)CN1CC[C@@H](NC(=O)C#CC(C)C)[C@H](O)C1 1099821465 VEGPEIWUEFGLJT-ZIAGYGMSSA-N 309.410 -0.277 30 20 DBED C=CCOCC(=O)NCCN(C)c1ncc([N+](=O)[O-])c(N)n1 1099959211 RARARQMPIBEJIA-UHFFFAOYSA-N 310.314 -0.278 30 20 DBED C=CCCCN1CC[C@@H](NC(=O)c2c[nH]c(=O)cn2)[C@H](O)C1 1099970461 YAUOWWVBUXNRSN-DGCLKSJQSA-N 306.366 -0.099 30 20 DBED Cc1ccc(C#N)c(N(C)CCNC(=O)[C@H]2COC(=O)N2)n1 1100049312 AQDWWACGKHWBSI-LLVKDONJSA-N 303.322 -0.078 30 20 DBED Cc1cc(N(C)CCNC(=O)[C@H]2CN(C)C(=O)N2)c(C#N)cn1 1100255207 DLIOLRKNOUHVNY-GFCCVEGCSA-N 316.365 -0.162 30 20 DBED CCN(CCNC(=O)CN(C)C(C)=O)c1ccnc(C#N)n1 1100450475 YBRZSFXQFKJLGE-UHFFFAOYSA-N 304.354 -0.231 30 20 DBED CCN(CCNC(=O)[C@H]1CCN(C)C1=O)c1cnc(C#N)cn1 1100682074 SGAXVDYPUTYBPT-GFCCVEGCSA-N 316.365 -0.231 30 20 DBED CCNC(=O)CC(=O)NC[C@@H]1CCCN1c1ccnc(C#N)n1 1100831581 BTJQCQJVLAUCFL-NSHDSACASA-N 316.365 -0.041 30 20 DBED CN(CCN=c1cc[nH]cc1C#N)C(=O)Cn1cnnc1O 1101553313 OHKPKCYCRFKADQ-UHFFFAOYSA-N 301.310 -0.757 30 20 DBED C=CCCN1CC2(C[C@@H](NC(=O)CC(N)=O)c3nccn32)C1 1101620926 VLMNINPHYMJNQA-LLVKDONJSA-N 303.366 -0.094 30 20 DBED CC[C@H](CNC(=O)C[C@@H](C)NC(N)=O)N=c1cc[nH]c(C#N)n1 1103196437 QODJXFPJRPLHIW-NXEZZACHSA-N 319.369 -0.476 30 20 DBED CC[C@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)Nc1cnc(C#N)cn1 1103305834 OGMYHUVJVHYUGE-IEBDPFPHSA-N 302.338 -0.224 30 20 DBED N#Cc1nccnc1NCC1(NC(=O)CNC(N)=O)CCCC1 1103393053 GWUOXHDDGHYCPP-UHFFFAOYSA-N 317.353 -0.143 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@@H](C)[C@H](CCNCC(=O)NC)C1 1104184306 GLFSYKQVSNODNN-MGPQQGTHSA-N 309.410 -0.155 30 20 DBED C[C@@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)CNc1ccc(C#N)nn1 1104208481 AEXZNDYAOLJFJT-IEBDPFPHSA-N 302.338 -0.366 30 20 DBED COCC#CCNCc1cn(C2CN(C(=O)COC)C2)nn1 1105120424 FNQDETMFYSNMKV-UHFFFAOYSA-N 307.354 -0.953 30 20 DBED C#CCNCc1cn(C2CN(C(=O)[C@H](C)OCC#C)C2)nn1 1105240212 CWIFVVMDZVPHSN-LBPRGKRZSA-N 301.350 -0.578 30 20 DBED CC#CCNCc1cn(C2CN(C(=O)[C@@]34COC[C@@H]3C4)C2)nn1 1105246565 CEHMWCFINNYCMD-LRDDRELGSA-N 315.377 -0.189 30 20 DBED C#CCCNCc1cn(C2CN(C(=O)c3ccnnc3)C2)nn1 1105332912 DXGUDUJQAJJZLR-UHFFFAOYSA-N 311.349 -0.122 30 20 DBED Cc1cc(=NC[C@H](O)CNC(=O)Cc2cc[nH]n2)c(C#N)c[nH]1 1105762479 QGTNDHRNAPEGRS-ZDUSSCGKSA-N 314.349 -0.462 30 20 DBED C=CCCOCC(=O)NC[C@H](O)CNc1nccnc1C#N 1105889835 IUYRAMIWLIFGRD-NSHDSACASA-N 305.338 -0.170 30 20 DBED CCCN(C)CC(=O)NC[C@H](O)CN=c1cc[nH]cc1C#N 1105910046 QKRXVJNIAYKJKQ-CYBMUJFWSA-N 305.382 -0.394 30 20 DBED CO[C@H](C(=O)NC[C@H](O)CNc1ccc(C#N)nn1)C(C)C 1106092471 GIMQOMJHVCGHQE-YPMHNXCESA-N 307.354 -0.092 30 20 DBED N#Cc1cnc(NC[C@H](O)CNC(=O)[C@H]2C[C@H]2C(N)=O)c(F)c1 1106120191 WTUWLFYXGKCVGB-AEJSXWLSSA-N 321.312 -0.897 30 20 DBED N#Cc1nc(=NC[C@H](O)CNC(=O)[C@H](F)C(F)(F)F)cc[nH]1 1106142029 KCHNASUOYMLCGH-RCOVLWMOSA-N 321.234 -0.440 30 20 DBED C[C@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)[C@@H]1[C@H]2COC[C@H]21 1106529968 PKPQEGHVUKVFSV-PUHVVEEASA-N 301.350 -0.031 30 20 DBED COCC#CCN1CC(n2cc(CNC(=O)[C@@H](C)C#N)nn2)C1 1107149362 COCVQPDSEJKUKO-LBPRGKRZSA-N 316.365 -0.440 30 20 DBED N#Cc1cnc(NC/C=C\CNC(=O)[C@@H]2CCC(=O)N2)cn1 1107280157 IHTODBNQMGNKCZ-BVBSBALXSA-N 300.322 -0.289 30 20 DBED Cc1cc(C#N)nc(NC/C=C\CNC(=O)[C@@H]2CCNC2=O)n1 1107450677 FQAAQWYBDMLGOU-DLGQBQFBSA-N 314.349 -0.123 30 20 DBED C#CCCN1CCO[C@@](C)(CNC(=O)C2CC(=O)NC(=O)C2)C1 1108278174 IKXLXYQCZZIHOK-INIZCTEOSA-N 321.377 -0.730 30 20 DBED C#CCCN1CC(N2C[C@H](NC(=O)[C@H](C)OCC)CC2=O)C1 1108513213 DAAQQBPYKDZIAP-QWHCGFSZSA-N 307.394 -0.164 30 20 DBED C#CCCN1CC(N2C[C@@H](NC(=O)C[C@H](C)OC)CC2=O)C1 1108518287 VZVBHFXTACJBQK-STQMWFEESA-N 307.394 -0.164 30 20 DBED C=C(C)C[C@@H](C)C(=O)N[C@@H]1CC(=O)N(C2CN(CC(N)=O)C2)C1 1108567164 XFDYBFBTHXTPGU-VXGBXAGGSA-N 322.409 -0.525 30 20 DBED CC#CCN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1ncn(C)c1=O)C2 1108716201 KTRCUTCWHTUAIF-IHRRRGAJSA-N 317.393 -0.426 30 20 DBED N#Cc1cnccc1N1C[C@H]2C[C@H]1[C@@H]2NC(=O)CNC(N)=O 1109680059 UQRGHEOHLRFFMJ-YDEJPDAXSA-N 300.322 -0.685 30 20 DBED N#Cc1nccc(NC2(CNC(=O)CCn3cnnn3)CC2)n1 1110207167 RJQSGIXIVLZKHH-UHFFFAOYSA-N 313.325 -0.514 30 20 DBED Cc1cc(C#N)nc(NC2(CNC(=O)C3(C(N)=O)CC3)CC2)n1 1110323560 WBMWCZGNKOLIDV-UHFFFAOYSA-N 314.349 -0.017 30 20 DBED Cn1cncc1C(=O)N(CCO)CCNc1cnc(C#N)cn1 1111525637 KCOQWAGZRXCAHA-UHFFFAOYSA-N 315.337 -0.372 30 20 DBED COCC#CCN1C[C@@H]2CCC[C@]2(NC(=O)CNC(C)=O)C1 1111567072 NNCOGGPWUPSTEA-HOCLYGCPSA-N 307.394 -0.257 30 20 DBED N#CCNC(=O)CN1C[C@@H]2CCC[C@]2(NC(=O)c2cocn2)C1 1111652369 ZYPAPKPUXOIUIR-NHYWBVRUSA-N 317.349 -0.101 30 20 DBED C=CCN1CC[C@H](N2CCN(C(=O)CN(C)C(C)=O)CC2)C1=O 1112631303 XOUOVRNFQKASBX-AWEZNQCLSA-N 322.409 -0.604 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(c2nccnc2F)C[C@H]1O 1112702644 ULIWJRPCTVJCEA-WDEREUQCSA-N 310.329 -0.268 30 20 DBED CC[C@@H]1OCCC[C@H]1C(=O)N1CCN(CC(=O)NCC#N)CC1 1112939597 CFGFQEXSZODTSA-KGLIPLIRSA-N 322.409 -0.024 30 20 DBED CCOc1cc(C(=O)N2CCN(CC(=O)NCC#N)CC2)on1 1113113444 RRMRQONALKILQM-UHFFFAOYSA-N 321.337 -0.529 30 20 DBED C[C@@H](CNC(=O)c1cc(=O)n(C)o1)N(C)c1ccnc(C#N)n1 1113579019 CUBSFXHKFONNNF-VIFPVBQESA-N 316.321 -0.105 30 20 DBED C=CCOCCN1CCN(C(=O)CC[C@H]2NC(=O)NC2=O)CC1 1113614553 NECXOIGXUJTHAK-GFCCVEGCSA-N 324.381 -0.679 30 20 DBED CNC(=O)C1(C(=O)NC[C@H](C)N(C)c2ccc(C#N)nn2)CC1 1113660859 UMRFPNULKAYJKF-JTQLQIEISA-N 316.365 -0.185 30 20 DBED C=C(Br)CN1C[C@H]2[C@H](NC(=O)CNC(N)=O)[C@H]2C1 1113849230 IQWOPEYNXDTQQQ-MBTKJCJQSA-N 317.187 -0.390 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3cncnc3C)[C@H]2C1 1113920715 ZWASTJWDTJRGGE-NHAGDIPZSA-N 313.361 -0.806 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)c3cc(OC)ncn3)[C@@H]2C1 1114287482 LOOIZGAPMFRVOU-VXGBXAGGSA-N 316.361 -0.205 30 20 DBED C=CCOCCN1C[C@H]2[C@H](NC(=O)c3cc(=O)n(C)cn3)[C@H]2C1 1114421602 QVLOJPVKDJWLBH-JYAVWHMHSA-N 318.377 -0.357 30 20 DBED N#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3cc(Cl)no3)[C@H]2C1 1115150474 XFDPFGZOIJYYOO-YUMQZZPRSA-N 323.740 -0.372 30 20 DBED C#CCNC1(CNC(=O)CNS(=O)(=O)CC)CCCCC1 1115561120 LAWAKIWIQJXCDK-UHFFFAOYSA-N 315.439 -0.032 30 20 DBED COC(=O)CN(CC#N)C(=O)CS[C@H]1CCS(=O)(=O)C1 1116106120 SYDUXRNVZQYBPN-VIFPVBQESA-N 320.392 -0.568 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCO[C@@]2(CCO[C@@H]2C)C1 1117391321 OYFQGMWHPVOZNF-DOMZBBRYSA-N 310.350 -0.841 30 20 DBED COc1ccc(NC(=O)C(=O)NCC(=O)NCC#N)c(OC)c1 1117460682 CPFPPQOYGMKSJO-UHFFFAOYSA-N 320.305 -0.602 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCO[C@@H](C3CC3)C2)CCO1 1117531112 FTOIQCBMSRBAPB-YNEHKIRRSA-N 307.350 -0.189 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CCO[C@@H](COCC)C1 1119155562 HXZPGTDZJBSLSW-VXGBXAGGSA-N 300.355 -0.433 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N(C)Cc1nc(C)no1 1119261153 AFXNFVUETCMXHF-LLVKDONJSA-N 308.338 -0.119 30 20 DBED C=CCn1cc(C(=O)N2CCN[C@H](c3cnn(C)c3)C2)nn1 1119660477 SVQKWPAFLKTUMB-LBPRGKRZSA-N 301.354 -0.016 30 20 DBED C[C@@H](CN(C)C(=O)[C@@H]1CNC(=O)N1)Nc1ncccc1C#N 1120632822 DDHPGXAKTZSBOU-ONGXEEELSA-N 302.338 -0.107 30 20 DBED N#Cc1c(F)cccc1N[C@H](CO)CNC(=O)Cn1cnnn1 1121023243 CGWVYEJOWMOLDH-VIFPVBQESA-N 319.300 -0.727 30 20 DBED Cc1cc(C#N)nc(N[C@@H](CO)CNC(=O)c2cn[nH]c2)n1 1121099426 HDUQDDJXXCPJNP-LLVKDONJSA-N 301.310 -0.417 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H](CO)Nc1cc(C)nc(C)n1 1121353111 MFPULBLDXQTRBW-LBPRGKRZSA-N 319.365 -0.878 30 20 DBED CNC(=O)CC(=O)NC[C@@H](CO)Nc1snc(C)c1C#N 1121372026 SNPCXOQFCBQZJK-QMMMGPOBSA-N 311.367 -0.652 30 20 DBED Cn1nncc1C(=O)NC[C@H](CO)Nc1ncccc1C#N 1121387634 SYLKTQKQLFIXCT-SNVBAGLBSA-N 301.310 -0.715 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H](CO)CNC(=O)[C@@H]1CCCCO1 1121455483 QHUFUSYNIDSWRY-OCCSQVGLSA-N 304.350 -0.167 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)CO[C@H]2CCOC2)nc1 1122072851 YUKCMROPSXHASX-OLZOCXBDSA-N 320.349 -0.352 30 20 DBED Cc1nsc(N[C@@H](CO)CNC(=O)Cn2nccn2)c1C#N 1122098009 JCPLNFLJPNEJFE-SECBINFHSA-N 321.366 -0.496 30 20 DBED N#Cc1nccnc1N[C@H](CO)CNC(=O)CCn1ccnc1 1122379039 OSIVFLFCDJYRPL-NSHDSACASA-N 315.337 -0.476 30 20 DBED N#Cc1nccnc1N[C@H](CO)CNC(=O)Cc1cnc[nH]1 1122621949 LVLKRYGOBDMTAO-JTQLQIEISA-N 301.310 -0.797 30 20 DBED C[C@@H]1C[C@@H](N=c2cc[nH]c(C#N)n2)CN1C(=O)CCNC(N)=O 1123234407 ZOCXGOLSDACDKS-NXEZZACHSA-N 317.353 -0.770 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)c1cscn1 1124196053 GATKEAHAMVHRJK-SECBINFHSA-N 318.362 -0.228 30 20 DBED COC[C@@H](C)C(=O)N(C)C[C@@H](O)CN=c1cc[nH]c(C#N)n1 1124197560 YMGUGVUOTHROOE-MNOVXSKESA-N 307.354 -0.716 30 20 DBED CC(C)[C@@H](O)C(=O)N(C)C[C@@H](O)CNc1cncc(C#N)n1 1124295630 HRQZEYLEWHGTMR-WCQYABFASA-N 307.354 -0.404 30 20 DBED CN(C[C@@H](O)CNc1ncccc1C#N)C(=O)[C@@H]1CCNC1=O 1124693940 KIDREHSUOJWEER-NWDGAFQWSA-N 317.349 -0.679 30 20 DBED C#CCNC(=O)CC(=O)NCCNCc1ccccc1[N+](=O)[O-] 1125978563 SZMWDTGJLUUSBQ-UHFFFAOYSA-N 318.333 -0.060 30 20 DBED Cc1cc(C#N)nc(N2CC=C(CNC(=O)CC(N)=O)CC2)n1 1127632915 KJMARUJFGOIOCZ-UHFFFAOYSA-N 314.349 -0.215 30 20 DBED CNC(=O)CN1CCn2ncc(CNC(=O)C#CC(C)C)c2C1 1128347449 SHYHBNQLXOSVNN-UHFFFAOYSA-N 317.393 -0.280 30 20 DBED C=C(C)CCN1C[C@H](n2ccnn2)[C@H](NC(=O)CNC(N)=O)C1 1128681862 PJARVSRPEOYANT-NEPJUHHUSA-N 321.385 -0.746 30 20 DBED COCCCCC(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1 1128817225 XVYRIWLJENCKCG-OLZOCXBDSA-N 306.370 -0.040 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCNCC(=O)N(C)CC1CC1 1129771432 XJQVDHFNRFUMKM-HNNXBMFYSA-N 320.437 -0.342 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1cn2cccnc2n1 1130802770 KNTZWHOJPNOHCE-NSHDSACASA-N 314.349 -0.813 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1cc2c(cn1)CCCC2 1131109556 BUODCLUQBDLTLM-UHFFFAOYSA-N 315.377 -0.080 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)c2cnn(C)n2)CC[C@H]1C 1132342513 BADXPWWMQYJPFU-NEPJUHHUSA-N 320.397 -0.300 30 20 DBED CNC(=O)[C@@H](C)N1CCC2(CN(C(=O)CSCC#N)C2)C1 1147031411 RWFFIPQXIFOLNU-LLVKDONJSA-N 310.423 -0.088 30 20 DBED C[C@@H]1OCC[C@H]1C(=O)N1CC2(CCN(CC(=O)NCC#N)C2)C1 1148488190 OALCRSRMXRVNOK-QWHCGFSZSA-N 320.393 -0.415 30 20 DBED C=CCC[C@@H](C)NCCNC(=O)CNC(=O)Cn1cncn1 1152254935 YVLZVJHMCHPKOJ-GFCCVEGCSA-N 308.386 -0.545 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)CN(C)C(C)C 1152439139 AGRPADWXXQOUNR-UHFFFAOYSA-N 313.402 -0.956 30 20 DBED COCC#CCNCCCNC(=O)[C@@H]1CCc2nc(C)nn2C1 1163027481 UASHIQBIWDNWAQ-CQSZACIVSA-N 319.409 -0.105 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)c1conc1COC 1170965983 FPNAYURRQMFHPU-NSHDSACASA-N 322.365 -0.332 30 20 DBED C=CCNC(=O)CNCCCNC(=O)C[C@H](C)N1CCCC1=O 1171012513 YQUZKZSUZVTNCO-ZDUSSCGKSA-N 324.425 -0.215 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)CN(C)C(=O)C3CC3)C[C@@H]21 1177029855 KJWQGBKYBRMCOH-LSDHHAIUSA-N 319.405 -0.210 30 20 DBED CCCNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)[C@H](C)C#N)C1 1181652747 PKYWPSRXJCXFAV-GHMZBOCLSA-N 309.370 -0.428 30 20 DBED C=C(C)CN1C[C@@H]2CCN(C(=O)CNC(=O)CNC(C)=O)[C@@H]2C1 1188382307 KDDZQCQEKVGBPB-UONOGXRCSA-N 322.409 -0.653 30 20 DBED C#CCCN(C)[C@H]1CCN(C(=O)CN(C)CC(=O)NC(C)C)C1 1191143804 HPZDWJRQPZHEEV-HNNXBMFYSA-N 322.453 -0.001 30 20 DBED C=CCCO[C@@H](C)C(=O)N[C@@H]1CN(CC#CCOC)C[C@H]1O 1191614864 PJVHNFCDNWZXGH-RRFJBIMHSA-N 310.394 -0.221 30 20 DBED CCn1ccc(C(=O)N2CC[C@@H](N(C)CC(=O)NCC#N)C2)n1 1192671778 QENZXURFGNGRET-GFCCVEGCSA-N 318.381 -0.311 30 20 DBED CCCC[C@H](C(N)=O)N1C[C@@H](O)[C@H](NC(=O)C#CC2CC2)C1 1192826931 NDOAOPKKKUTZHK-MGPQQGTHSA-N 307.394 -0.395 30 20 DBED C#CCN(C)[C@H]1CCN(C(=O)CCS(=O)(=O)N(C)C)C1 1194208179 CUPGXSDOOXRJPX-LBPRGKRZSA-N 301.412 -0.566 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)C(=O)Nc2ccc(OC)cc2)C1 1194461068 OAEMBGHHSZYOAG-ZIAGYGMSSA-N 317.345 -0.572 30 20 DBED C[C@H](C(=O)NC(N)=O)N1CCCN(C(=O)C#CC2CC2)CC1 1195754232 JXCADXJLAYEUJM-LLVKDONJSA-N 306.366 -0.483 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)CCn2cc(C)cn2)C1 1199057332 IJZJDWOCIDNTDL-HUUCEWRRSA-N 322.409 -0.054 30 20 DBED CN1CC[C@@H](CC(=O)N2CCCO[C@@H](CNCC#N)C2)C1=O 1200778763 VYTWEEHIJMUEQC-STQMWFEESA-N 308.382 -0.415 30 20 DBED C=CCNC[C@@H]1CN(C(=O)CCS(C)(=O)=O)CCCO1 1200824838 SNSOYFNVXIAHNC-GFCCVEGCSA-N 304.412 -0.186 30 20 DBED C#CCCN[C@H]1C[C@@H](NC(=O)CN2CC(=O)NC2=O)C12CCC2 1203507457 QZZQSHPSBNRURO-NWDGAFQWSA-N 318.377 -0.422 30 20 DBED C#Cc1cncc(C(=O)N2CCC(CNCC(N)=O)CC2)c1 1206226155 NKNADPIQIWCNIW-UHFFFAOYSA-N 300.362 -0.010 30 20 DBED COCC#CCN1C[C@@H](NC(=O)[C@H]2CCNC(=O)C2)[C@H](C)C1 1206870647 GLHHGAIJEPNVGN-HZSPNIEDSA-N 307.394 -0.401 30 20 DBED C=CCN1C[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)CC)[C@H](C)C1 1207038000 ZDGKGQGEFSVHJT-IJLUTSLNSA-N 303.428 -0.063 30 20 DBED C#CCOCCC(=O)N1CCC[C@H](NCc2cnn(C)n2)C1 1208025041 FSCODEGSXQMJGM-ZDUSSCGKSA-N 305.382 -0.064 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@]2(C)CCC(=O)N2)C1 1209513342 NLWAISWMVGCJIZ-WBMJQRKESA-N 322.409 -0.462 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CCCN(C(=O)Cc2nc[nH]n2)C1 1210584114 CKLGXTOGSPSYCE-NWDGAFQWSA-N 320.397 -0.382 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1NC(=O)CCCN1C(=O)CNC1=O 1210910265 LTHOGVTXXPICFH-GHMZBOCLSA-N 307.354 -0.722 30 20 DBED CCNC(=O)CC(=O)N1CCO[C@@H]2CN(CC#CCOC)C[C@@H]21 1217690110 JEZURPPHTQJTTE-UONOGXRCSA-N 323.393 -0.926 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCO[C@@H]2CN(CC#CCOC)C[C@@H]21 1217762122 AGBCEFKHHPXXNO-ZMSDIMECSA-N 322.405 -0.125 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)c2cn(C)nc2C)C1 1219370699 GWSSNVXTHUZWED-KGLIPLIRSA-N 308.382 -0.294 30 20 DBED C#CCCCC(=O)N[C@@H]1CN([C@@H]2CCN(C(C)C)C2=O)C[C@@H]1O 1219541752 OXLNBXKUNBHMSS-KFWWJZLASA-N 321.421 -0.040 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2ccc(F)cn2)C[C@@H]1O 1219605646 YNDLHUKTITXBKM-DFBGVHRSSA-N 321.352 -0.080 30 20 DBED C=CCCCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCC(=O)N(C)C2)C1 1221095421 DTBWSDRIWNRWCI-MCIONIFRSA-N 309.410 -0.018 30 20 DBED COCC#CCN1CC[C@@H]2CN(C(=O)C[C@H](C)NC(N)=O)[C@@H]2C1 1221550091 CWOKEDGDLAPDNB-BFHYXJOUSA-N 322.409 -0.384 30 20 DBED C#CCO[C@@H](C)C(=O)NC1CCN([C@@H]2CCC(=O)NC2=O)CC1 1227341724 AODJEYMGJALTIF-WCQYABFASA-N 321.377 -0.590 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)[C@@H](C2CC2)N(C)C)CC1 1227816540 FGIRBUDUBVDOBM-MRXNPFEDSA-N 320.437 -0.343 30 20 DBED C#CCN(CCCNC(=O)Cn1ncnn1)Cc1cccnc1 1230763240 WCJGIAPCQJCEAH-UHFFFAOYSA-N 313.365 -0.290 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C[C@@H]1CCN1Cc1nncn1C 1234216041 RSULKOFFBXRBMW-STQMWFEESA-N 305.382 -0.114 30 20 DBED Cc1ncncc1C(=O)NCCCN(C)CC(=O)NCC#N 1234421940 IYYRFNOUBNGQMR-UHFFFAOYSA-N 304.354 -0.524 30 20 DBED CC(C)OC(=O)CCCNC(=O)C(=O)N1CCO[C@@H](C#N)C1 1261113433 WRDJCVJBSFJMIM-NSHDSACASA-N 311.338 -0.415 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N1CC(N2CCCC2=O)C1 1262296801 AKWICDRHAFHOOY-LBPRGKRZSA-N 321.377 -0.636 30 20 DBED C=C[C@H](COC)NC(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 1320312486 NFAWWFZQQWJEDC-AFCCXKIYSA-N 322.361 -0.144 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)NC2CCC3(CC2)OCCO3)CCO1 1321553813 DXXLPCRKBNPFPW-LBPRGKRZSA-N 323.349 -0.461 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCOC2(CCOCC2)CC1 1324878413 NXBIEQPSJNRBMF-UHFFFAOYSA-N 324.377 -0.450 30 20 DBED C#CC1CCN(C(=O)C(=O)NCCCS(=O)(=O)CC)CC1 1326165367 CUBZDFOINIQXCL-UHFFFAOYSA-N 314.407 -0.201 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCC(N2CCOC2=O)CC1 1328958466 DSSISHJNUOLEFK-UHFFFAOYSA-N 323.349 -0.804 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CCN(C(=O)C2CC2)CC1 1329618107 HFOXKTDOYDUVKS-GFCCVEGCSA-N 309.366 -0.616 30 20 DBED CCOC(C)(C)CNC(=O)C(=O)N1CCN(CCC#N)CC1 1332747983 FZZQZYYAOCCMQU-UHFFFAOYSA-N 310.398 -0.024 30 20 DBED C=CCCOCCNC(=O)C(=O)N1C[C@H](O)C[C@@H]1COC 1332803104 OZQSDQQXMKAPOX-VXGBXAGGSA-N 300.355 -0.697 30 20 DBED Cn1cc(-n2cc(C(=O)OCC(=O)NCC#N)ccc2=O)cn1 1337874106 PIRULCYNHBQHIM-UHFFFAOYSA-N 315.289 -0.632 30 20 DBED C=C[C@@H](COC)NC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 1338150775 HTCDKCDEUGCUNC-VIFPVBQESA-N 318.333 -0.437 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)NCCOCC(F)(F)F)CCO1 1340351479 DMNCIWSCEPSKPB-QMMMGPOBSA-N 309.244 -0.568 30 20 DBED C#CCNCC(=O)N1CCC[C@H](CNC(=O)[C@H]2CCCN2)C1 1341634677 SAJBWVVDZVTOAC-ZIAGYGMSSA-N 306.410 -0.684 30 20 DBED C=CCn1c(CC(C)(C)O)nnc1N1CCO[C@H](C(=O)NC)C1 1341989168 ALMUNERCAIDVDI-NSHDSACASA-N 323.397 -0.271 30 20 DBED C=CCCOCCNC(=O)C(=O)N1CC[C@H]2NC(=O)CC[C@@H]2C1 1350802185 KLRTUFMMMBPUGY-CHWSQXEVSA-N 323.393 -0.178 30 20 DBED Cn1cnn(CC(=O)N2CC(=O)Nc3ccc(C#N)cc32)c1=O 1361482124 NLBDGKXHFCDPOI-UHFFFAOYSA-N 312.289 -0.561 30 20 DBED CN(CC1(O)CCCC1)C(=O)CCn1cc(C#N)c(O)nc1=O 1362353649 JXAPWGPDHPSGMO-UHFFFAOYSA-N 320.349 -0.026 30 20 DBED N#CCc1cccc(C(=O)N2C[C@H](C(N)=O)[C@@H](C(N)=O)C2)c1 1363321643 VFNJKVSGUOEQHD-RYUDHWBXSA-N 300.318 -0.589 30 20 DBED CC(C)(CC#N)CS(=O)(=O)NCC1CN(S(C)(=O)=O)C1 1363988435 NDBUUSFFQFNEDB-UHFFFAOYSA-N 323.440 -0.263 30 20 DBED N#Cc1ccc(CNC(=O)NC[C@H](O)Cn2ccnn2)nc1 1364637019 UNZILFAWPDHJCA-LBPRGKRZSA-N 301.310 -0.595 30 20 DBED CCCC[C@H](CNC(=O)[C@H](C)C#N)NC(=O)CS(C)(=O)=O 1370057094 JNDZBTFFBBNNCG-GHMZBOCLSA-N 317.411 -0.018 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@@H](C)CNC(=O)CN1CCC(=O)NC1=O 1380923711 VFLRUHVDIWJMIR-UWVGGRQHSA-N 323.353 -0.949 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CN(C)C(=O)c1ccc(O)nc1 1396050459 JWASIZSAWLWPNT-MWLCHTKSSA-N 306.322 -0.504 30 20 DBED COCCN(CCNC(=O)Cc1cncn1C)C(=O)[C@@H](C)C#N 1413514126 MPTISVMJUUBJPX-LBPRGKRZSA-N 321.381 -0.287 30 20 DBED N#C[C@@H]1CCCN(C(=O)[C@H]2CCCN(S(N)(=O)=O)C2)C1 1413545996 YHCJSBLZNRFELP-QWRGUYRKSA-N 300.384 -0.336 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)CCc2cn[nH]c2)C1 1414048434 OSBQWCXWGCMZBK-WCQGTBRESA-N 305.338 -0.810 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](NC(=O)Cn1cnnn1)C1CCCC1 1417295421 PDEDQKHFZMPOBM-ZYHUDNBSSA-N 319.369 -0.376 30 20 DBED CNS(=O)(=O)CC(=O)NC[C@@H](C)NCc1ccccc1C#N 1419936234 LLKHWWNPGXSSIL-LLVKDONJSA-N 324.406 -0.298 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNCc1nnn(C(C)(C)C)n1 1420095868 FHRLHWZXQQSJRK-VHSXEESVSA-N 309.374 -0.846 30 20 DBED COCc1noc([C@H](C)N2CC(O)(CNC(=O)[C@H](C)C#N)C2)n1 1421417314 JXXLYRGKNWQGLY-ZJUUUORDSA-N 323.353 -0.400 30 20 DBED CC(C)CNC(=O)CNCC1(O)CCN(C(=O)[C@@H](C)C#N)CC1 1422096822 LAWCFPRGOTZCLS-ZDUSSCGKSA-N 324.425 -0.139 30 20 DBED CC(=O)N1CCC[C@@H]1C(=O)N1CC[C@@H](NC(=O)[C@@H](C)C#N)C1 1429522906 JRPMRFCKEKCACQ-CYZMBNFOSA-N 306.366 -0.126 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CNC(=O)CN2CCOCC2)CC1 1429718766 ANZMKVTWMZGVQR-ZDUSSCGKSA-N 322.409 -0.167 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1noc2c1COCC2 1431537784 ISDWYYZEDNEDIC-BDAKNGLRSA-N 322.321 -0.886 30 20 DBED N#Cc1cc(C(=O)N2CC(CNC(=O)Cn3cncn3)C2)c[nH]1 1450708400 IPUGDNOHLWXSSP-UHFFFAOYSA-N 313.321 -0.634 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)CCn2cnccc2=O)CC1 1459096001 FSCDXHNZVMYBDE-NSHDSACASA-N 317.349 -0.442 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)CCCn2cncn2)CC1 1459101373 ZRKAJHCBWNKOLI-LLVKDONJSA-N 304.354 -0.017 30 20 DBED CC(C)[C@H](CCO)NC(=O)CCn1cc(C#N)c(O)nc1=O 1465996954 NADGZESMVAHECT-NSHDSACASA-N 308.338 -0.266 30 20 DBED C[C@H](NC(=O)CCn1cc(C#N)c(O)nc1=O)C1(CO)CC1 1470004604 ARENTEVJFWBGHZ-VIFPVBQESA-N 306.322 -0.512 30 20 DBED C#CCNC(=O)CNC[C@]1(C)CCN(C(=O)[C@H](CC)N(C)C)C1 1569683672 OFCSHDGXNKNSRK-YOEHRIQHSA-N 322.453 -0.096 30 20 DBED C[C@H](C#N)C(=O)N(C)CCN(C)c1cncc(-c2nn[nH]n2)n1 1573562434 UFOFIXMMAIRSPR-SECBINFHSA-N 315.341 -0.289 30 20 DBED CN(C(=O)NCCN/C(O)=C1\N=CC=CC1=O)C1[C@@H]2CNC[C@H]12 1578382705 DHKRDIHVPNHYSR-IHTYIGQRSA-N 319.365 -0.628 30 20 DBED CN1C[C@@H](N(C)c2cnc(C#N)c(-c3nn[nH]n3)n2)CCC1=O 1579320174 JNQWSZYZGZVQID-QMMMGPOBSA-N 313.325 -0.415 30 20 DBED N#CCCN1CCN(C(=O)C2=NO[C@@]3(CCCNC3)C2)CC1 1580051982 VFLGNJBKHXXGDD-HNNXBMFYSA-N 305.382 -0.057 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N[C@@H]1CC=C(C(=O)O)C1 1588390211 OAEOQBMSJQRGPS-NWDGAFQWSA-N 308.334 -0.179 30 20 DBED C#CCO[C@H](C)C(=O)NCCCN=c1cc[nH]c(C(=O)O)n1 1588490513 OFJUYWLXZFTNBY-SNVBAGLBSA-N 306.322 -0.447 30 20 DBED C=CCOC[C@@H](NC(=O)[C@@H]1CC[C@H](C(=O)O)O1)C(=O)OC 1588856524 LNCZJMOSVPEJQM-KXUCPTDWSA-N 301.295 -0.521 30 20 DBED N#Cc1nc(NC(=O)[C@H]2CCCC(=O)N2)[nH]c1-c1nn[nH]n1 1592683627 VEBDOIAGCDBGBS-RXMQYKEDSA-N 301.270 -0.931 30 20 DBED CCc1oc(C(=O)O)cc1S(=O)(=O)NCC(=O)NCC#N 1597784317 HHDSSBHMWGXHFH-UHFFFAOYSA-N 315.307 -0.542 30 20 DBED CS(=O)(=O)CCCS(=O)(=O)N(CC#N)CCC(=O)O 1599751029 XBAXGIRPRPPECO-UHFFFAOYSA-N 312.369 -0.949 30 20 DBED N#C[C@]12CN(C[C@H]3[C@H](C(=O)O)C3(F)F)C[C@H]1CS(=O)(=O)C2 1601080013 SUIHZSYTNLSMPX-WYOJIJJFSA-N 320.317 -0.178 30 20 DBED N#Cc1cc(C(=O)NC2CN(C(=O)[C@H]3C[C@@H]3C(=O)O)C2)c[nH]1 1601085802 MTCMXBAVCBAZBS-QWRGUYRKSA-N 302.290 -0.452 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@@H]3C(=O)O)C2)[nH]1 1601093658 WTMOFXUGQILSJX-YTWAJWBKSA-N 316.317 -0.016 30 20 DBED C[C@@H]1CCN(c2cnc(-c3nn[nH]n3)c(C#N)n2)C[C@@H]1CO 1603910697 WDFLPGZMRAGOQG-RKDXNWHRSA-N 300.326 -0.017 30 20 DBED Cc1cccc(C#N)c1S(=O)(=O)NCC(=O)NCC(=O)O 1607838859 WPFGTWOVLAQSOA-UHFFFAOYSA-N 311.319 -0.654 30 20 DBED N#CC1(C(=O)O)CCN(S(=O)(=O)c2cnc(N)nc2)CC1 1608174129 IGUCKCSKNUZIKZ-UHFFFAOYSA-N 311.323 -0.562 30 20 DBED C=CCS(=O)(=O)CCNc1nc(C)cc(-c2nn[nH]n2)n1 1609059103 QFXZQFLNPSPDSJ-UHFFFAOYSA-N 309.355 -0.022 30 20 DBED C[C@H]1C[C@@H](C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[nH]2)CCN1 1609376304 LNBWDHSBTUUIFJ-BQBZGAKWSA-N 301.314 -0.212 30 20 DBED Cn1c(NCC2(C#N)CCC2)c(-c2nn[nH]n2)c(=O)n(C)c1=O 1609476677 QDBFYHNDCUFTKC-UHFFFAOYSA-N 316.325 -0.630 30 20 DBED Cn1ncc(C(=O)O)c1NC(=O)C(=O)N1CC[C@@](F)(C#N)C1 1610614715 RFCIQOZNARAMSZ-GFCCVEGCSA-N 309.257 -0.479 30 20 DBED COC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)c1ccc(C#N)cn1 1647614518 UKKOPTFYZSLUCR-NSHDSACASA-N 323.330 -0.635 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)c2cnn(CC)n2)C1 1713146999 FGJMPKDFJPEDEX-RYUDHWBXSA-N 318.381 -0.760 30 20 DBED C=CCOCCN1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1ncnn1 1752533885 AHLMCUNGSFAFCM-BETUJISGSA-N 306.370 -0.449 30 20 DBED Cc1cc(=O)c(C(=O)NCC[C@@H](C)NCC(=O)NCC#N)c[nH]1 1753016714 ADOGZEBGMSSXCR-SNVBAGLBSA-N 319.365 -0.579 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC(NC(=O)CCCC(=O)NC)C1 1753374564 INYRQKLHVUWHIR-LLVKDONJSA-N 310.398 -0.606 30 20 DBED C=CCNC(=O)[C@H](C)N1CC(CNC(=O)c2n[nH]cc2F)C1 1753408990 GTTKGGCLPVDUBL-VIFPVBQESA-N 309.345 -0.099 30 20 DBED C=CCNC(=O)CN[C@@H](CC)CNC(=O)[C@H]1CCNC(=O)CC1 1753483342 OHOHYQJQCPJZFH-OLZOCXBDSA-N 324.425 -0.311 30 20 DBED C#CCNC(=O)CNC[C@H](C)CNC(=O)[C@H]1CCCCN1C 1753621850 SZWOQFVBKYZMMG-UONOGXRCSA-N 308.426 -0.438 30 20 DBED COCC#CCN1CCO[C@H](CNC(=O)Cc2cc[nH]n2)C1 1753655033 ABIVPSCLQQSHFF-CQSZACIVSA-N 306.366 -0.581 30 20 DBED CC#CCN[C@H]1CCN(C(=O)Cn2ccc(O)nc2=O)C[C@@H]1C 1753756391 DFERGBNKAIAGGQ-STQMWFEESA-N 318.377 -0.201 30 20 DBED C=CCNC(=O)CNC[C@@H](C)NC(=O)c1cnc2n1CCOC2 1754230424 SXAPDLKWOWLKNP-LLVKDONJSA-N 321.381 -0.577 30 20 DBED C=CCNC(=O)CNC[C@@H]1CCCC[C@@H]1NC(=O)c1cnn[nH]1 1754346081 QVLDASROENOIKC-RYUDHWBXSA-N 320.397 -0.015 30 20 DBED C=CCNC[C@H]1CCCC[C@H]1NC(=O)CN1CCNC(=O)C1 1754347262 WXLLHGOIRUXZPO-ZIAGYGMSSA-N 308.426 -0.131 30 20 DBED CC#CCNCCCN(C)C(=O)[C@@H](C)NS(=O)(=O)CC 1754372529 AASLQIKGUWPBTF-GFCCVEGCSA-N 303.428 -0.224 30 20 DBED C#CCCNC1CCN(CCNC(=O)[C@H]2CCCNC2=O)CC1 1754849261 MXDZTZLZEAFWBS-HNNXBMFYSA-N 320.437 -0.294 30 20 DBED C#CCCNCCN(CCO)C(=O)[C@]1(C)CCCS1(=O)=O 1754894081 SNSGSPXVCIAVNT-AWEZNQCLSA-N 316.423 -0.613 30 20 DBED CC(C)(C)C#CC(=O)NC[C@H]1CCC2(CN(CC(N)=O)C2)O1 1755054801 VUADRDDAIXGCOD-GFCCVEGCSA-N 307.394 -0.129 30 20 DBED CC#CCN[C@@]1(CO)CCCN(C(=O)[C@H](C)n2cncn2)C1 1755084718 RCMGCCOPLOBXPW-ZFWWWQNUSA-N 305.382 -0.195 30 20 DBED N#CCN[C@]1(CO)CCCN(C(=O)[C@@H]2CCc3nncn3C2)C1 1755090742 DBFMPXDWRAPDLH-IUODEOHRSA-N 318.381 -0.693 30 20 DBED C=CCOCC(=O)NC1(CO)CCN([C@@H]2CCNC2=O)CC1 1755179776 QQLHDQCDXSWRCR-GFCCVEGCSA-N 311.382 -0.979 30 20 DBED CNC(=O)NC(=O)CN[C@@H](C)CN(C)C(=O)C#CC(C)(C)C 1755587178 XSMRSYLORNCVCV-NSHDSACASA-N 310.398 -0.072 30 20 DBED C#CCNC(=O)CNC[C@H]1CC[C@@H](NC(=O)c2cnccn2)C1 1755730343 ZLCWWUZIADGCDB-QWHCGFSZSA-N 315.377 -0.286 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@H](O)CN(C)C(=O)C1(C)CC=CC1 1755787064 PJCDZHBEFTZFAU-KGLIPLIRSA-N 321.421 -0.111 30 20 DBED CN(CC#N)C[C@@H](O)CN(C)C(=O)[C@H]1CCn2cncc2C1 1755802509 WRBJSHIECBPTOP-GXTWGEPZSA-N 305.382 -0.280 30 20 DBED C#CCO[C@H](C)C(=O)N(C)[C@H](C)CNC(=O)Cn1cncn1 1756072535 UGEFMCAUKHYKET-VXGBXAGGSA-N 307.354 -0.721 30 20 DBED C#CCCCC(=O)N1C[C@@H](NC(=O)[C@@H]2CNC(=O)N2)[C@H](C)C1 1757099084 FIUDRPKHXYOGKO-GRYCIOLGSA-N 306.366 -0.566 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1CN(C(=O)Cc2nnc(C)o2)C[C@@H]1O 1757199401 OJPKSQKCQYMKBY-MNOVXSKESA-N 322.365 -0.179 30 20 DBED CC(=O)OC1CCN(C(=O)NCCn2cnc(C#N)n2)CC1 1771704200 DCQIROMGJUAAPU-UHFFFAOYSA-N 306.326 -0.113 30 20 DBED C=CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(=O)N(C)C)[C@H]2C1 1786743904 NKAAUPZBRULEFK-AVGNSLFASA-N 323.393 -0.370 30 20 DBED C/N=C(/NC[C@H]1COCCO1)N1CCN(c2ncccn2)CC1 262509855 AXGIWFRLAABJKS-ZDUSSCGKSA-N 320.397 -0.411 30 20 DBED C/N=C(\NCCN1CCCCC1)NC[C@H]1CN2CCN1CC2 262757791 CAEAHTYSKFOVJB-HNNXBMFYSA-N 308.474 -0.363 30 20 DBED C[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C(N)=O 268755802 XMVRMPBCLYKYTE-IUCAKERBSA-N 324.362 -0.785 30 20 DBED C=C[C@@H](CO)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 290657135 RKTNMJJYCXBLRG-JQWIXIFHSA-N 323.374 -0.112 30 20 DBED N#Cc1ccc(S(=O)(=O)NCC(=O)N(CCO)C2CC2)cc1 291428851 LGMCWPGJZKJUPR-UHFFFAOYSA-N 323.374 -0.180 30 20 DBED CN(C)c1cc(C#N)cc(C(=O)NC[C@@H]2CC(C(N)=O)=NO2)c1 295035332 XWVWVURZCGYPFN-LBPRGKRZSA-N 315.333 -0.016 30 20 DBED C[C@H](N/C(O)=N/C[C@]1(O)CCOC1)[C@@H](C)N1CCOCC1 328875135 ZJGQMGWJSHFMRH-OUCADQQQSA-N 301.387 -0.249 30 20 DBED CC/N=C(/O)NC(=O)[C@@H](C)N1CCN(C(=O)CCOC)CC1 331052461 JBVCZWUDDAXXEG-LLVKDONJSA-N 314.386 -0.394 30 20 DBED CC(C)N1CC[C@@H](N(C)c2c(C#N)c(=O)n(C)c(=O)n2C)C1 333684483 LRZVBUCNHPSIQT-LLVKDONJSA-N 305.382 -0.125 30 20 DBED COCCOCCOCCS(=O)(=O)N1CC(C)(C#N)C1 338430315 HKFROABUTHYIPD-UHFFFAOYSA-N 306.384 -0.159 30 20 DBED CCCCS(=O)(=O)N1CCC(C(=O)NCC#CCO)CC1 339185313 MRAISURWUHOJKN-UHFFFAOYSA-N 316.423 -0.060 30 20 DBED C[C@H](C(=O)NC1(C#N)CCC1)N(C)C[C@@H](O)CN1CCOCC1 346508251 RZVAIOALJNSLOJ-ZIAGYGMSSA-N 324.425 -0.438 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@H]([C@H](C)N)C2)C1=O 351756626 QNPWLORLHHTDFO-UWVGGRQHSA-N 308.338 -0.841 30 20 DBED C=CCOC[C@@H](NC(=O)CCn1cnccc1=O)C(=O)OC 352589425 HSLVAXSGENARSY-LLVKDONJSA-N 309.322 -0.506 30 20 DBED C=CCN(CC=C)C(=O)[C@@H](C)N1CCN2C(=O)NC(=O)[C@@H]2C1 352780078 ROMZSIROAIMCQQ-NEPJUHHUSA-N 306.366 -0.189 30 20 DBED Cn1cnc(NS(=O)(=O)c2cncc(C#N)c2)c1C(N)=O 357390265 OZHARMDYQMVMLP-UHFFFAOYSA-N 306.307 -0.414 30 20 DBED CCOC(=O)[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(C#N)cc1 441368524 BJWNPXZOGKOFMQ-HNNXBMFYSA-N 319.317 -0.073 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@H](OC)[C@@H](C)CC)CC1 491703664 NXWYMLAGTYYKCA-DZGCQCFKSA-N 309.410 -0.059 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2cnccc2C#N)CC1 491738127 HQQMFHZZIWYUNA-UHFFFAOYSA-N 311.345 -0.540 30 20 DBED CN1CCC[C@H](CNS(=O)(=O)N2CCO[C@@H](C#N)C2)C1 548832767 PXIBOPOETQJCGX-NEPJUHHUSA-N 302.400 -0.613 30 20 DBED C[C@@H](CCN)NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 567907938 IXRWBAFNGJDJDZ-JTQLQIEISA-N 310.379 -0.310 30 20 DBED C[C@@H]1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)C[C@H]1C(=O)O 572879568 NBAQWLDGKMPANL-PSASIEDQSA-N 306.322 -0.497 30 20 DBED C=CCN(CC=C)C(=O)c1nc(N)nc(N2CCOCC2)n1 574642721 YHOWBCAWHPBUFE-UHFFFAOYSA-N 304.354 0.105 30 20 DBED COC(=O)c1coc(CNS(=O)(=O)N(C)C[C@H](C)C#N)n1 593646322 VCIXWHUYMOXKCJ-MRVPVSSYSA-N 316.339 -0.113 30 20 DBED CN1CCN(C[C@H](O)COc2ccc(C#N)cc2)[C@H](CO)C1 602904064 LBEVLJDAEDXRLG-GJZGRUSLSA-N 305.378 -0.094 30 20 DBED COc1cc(C)nc(NN=Cc2cn(C)c(=O)n(C)c2=O)n1 747634215 BGDULNOGWJOTEC-UHFFFAOYSA-N 304.310 -0.363 30 20 DBED C#CCNC(=O)COC(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 748468270 XWTWAJPCKCPTEW-DUBDDPSESA-N 316.313 -0.914 30 20 DBED CCN(CCC#N)C(=O)CN1[C@@H](C)C(=O)N(C)S1(=O)=O 752910250 VXZFJKLGRTYVEY-VIFPVBQESA-N 302.356 -0.844 30 20 DBED Cn1[nH]c(COC(=O)CNC(=O)c2ccc(C#N)cc2)nc1=O 765463685 LKIKZMHUFRXFJA-UHFFFAOYSA-N 315.289 -0.547 30 20 DBED O=C(O)Cn1cc(C=NNC(=S)NCC(F)(F)F)nn1 768483342 ONSULVXNRNAREP-UHFFFAOYSA-N 310.261 -0.277 30 20 DBED Cn1cnn(CC(=O)[C@H](C#N)C(=O)Nc2ccccn2)c1=O 779456344 GPXLNTHXDNWHRE-VIFPVBQESA-N 300.278 -0.676 30 20 DBED CCN(CCC#N)S(=O)(=O)NCCS(=O)(=O)C(C)C 808348577 RKYXFKZAGUYSHU-UHFFFAOYSA-N 311.429 -0.120 30 20 DBED C#C[C@@H](NC(=O)C(=O)N1CCCC2(C1)OCCO2)[C@H]1CCCO1 809305555 FTJRACNFJUNVDI-CHWSQXEVSA-N 322.361 -0.351 30 20 DBED CC#CCS(=O)(=O)NC(=O)Cn1c(=O)cnc2ccccc21 810777607 KRNOQCPPFAIVBH-UHFFFAOYSA-N 319.342 -0.134 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NOC/C=C/Cl)C1=O 812401454 KUFOAFSFFLSYIQ-ONEGZZNKSA-N 301.686 -0.237 30 20 DBED CCOC(=O)C(=O)N1CCN(C(=O)c2ccc(C#N)o2)CC1 815638768 DUGINDKVOGLVON-UHFFFAOYSA-N 305.290 -0.001 30 20 DBED N#Cc1ccc(OC[C@@H](O)CNC[C@@H]2CC(C(N)=O)=NO2)cc1 819252225 FWUQIQGSDCCSRJ-AAEUAGOBSA-N 318.333 -0.482 30 20 DBED CCN(CC(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[nH]1)C1CC1 825399459 URBIMXZEMBWGQP-UHFFFAOYSA-N 301.314 -0.116 30 20 DBED N#Cc1nc(NC(=O)[C@H]2[C@H]3OCCC[C@@H]32)[nH]c1-c1nn[nH]n1 826382381 BRJYUGLSWVGENS-FKBGGTMYSA-N 300.282 -0.175 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)c2nn(CC)nc2C)C1=O 828455504 KTGZDDQUARKAGO-UHFFFAOYSA-N 305.294 -0.234 30 20 DBED C=CCN1CCN(CN2CCC[C@@H]2CS(=O)(=O)NC)C1=O 840021408 XZPZAJMPCSARGI-GFCCVEGCSA-N 316.427 -0.119 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N[C@@H](C)C(=O)N(C)OC 858356450 VYPVFWNCKNROSC-VIFPVBQESA-N 307.372 -0.705 30 20 DBED O=C(C#Cc1ccc2c(c1)OCO2)N(CCO)CCOCCO 862245882 AOPOWIQCFIFPOJ-UHFFFAOYSA-N 321.329 -0.403 30 20 DBED Cn1c(N2CCC(C(C)(C)O)CC2)c(C#N)c(=O)n(C)c1=O 866231406 ZYBBISZMESOHNO-UHFFFAOYSA-N 306.366 -0.057 30 20 DBED C#CCN1CCC[C@H](NS(=O)(=O)N2CCO[C@@H](C#N)C2)C1 885507997 AVICWAVLOWWTNQ-STQMWFEESA-N 312.395 -0.857 30 20 DBED C=CCN(CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1)C(C)C 917070923 JMRPXAAJHSXLAE-NSHDSACASA-N 317.411 -0.104 30 20 DBED C#CCN1CCC[C@@H](NC(=O)[C@@H]2CCc3nnnn3CC2)C1 923553776 BOKCLIPJOURXKR-CHWSQXEVSA-N 302.382 -0.161 30 20 DBED O=C(NCC#CCO)N1CCC[C@@H](N2CCCS2(=O)=O)C1 923767822 CRIOBUJPQPHKGM-GFCCVEGCSA-N 315.395 -0.808 30 20 DBED C#CCNC(=O)C1CCN(C(=O)NCCO[C@H]2CCOC2)CC1 927517600 MEZSDKZFOJZTSL-AWEZNQCLSA-N 323.393 -0.037 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)Cn3nccn3)C2)nc1 938373841 RICVEFPTSDBESB-ZDUSSCGKSA-N 324.344 -0.315 30 20 DBED C[C@@H]1CN(CC#N)CC[C@@H]1NC(=O)c1cnn2c(=O)cc[nH]c12 943467183 USDGKRQEFVSUTQ-PWSUYJOCSA-N 314.349 -0.014 30 20 DBED C[C@H](NC(=O)c1c[nH]c(C#N)c1)[C@@H]1CCCN(C(=O)C(N)=O)C1 945671927 WVPAXXWNGQVAQG-VHSXEESVSA-N 317.349 -0.271 30 20 DBED O=C(Cn1cnnn1)NC1CCN(C(=O)C#CC2CC2)CC1 946690703 SOKZNNOMJRLPRA-UHFFFAOYSA-N 302.338 -0.806 30 20 DBED C=CCN1CC[C@H](N2CCN(C(=O)C3(C(N)=O)CC3)CC2)C1=O 949986945 WJBBZQYWGWPQOD-LBPRGKRZSA-N 320.393 -0.817 30 20 DBED CN(C(=O)[C@H]1CCNC1=O)C1CCN(C(=O)C#CC2CC2)CC1 954132700 YICYTBHGRJDRRM-AWEZNQCLSA-N 317.389 -0.015 30 20 DBED N#CCN1C[C@H](O)[C@H](CNC(=O)c2n[nH]c3c2CCCC3)C1 958205574 AVTFIEYTEOFOCL-MFKMUULPSA-N 303.366 -0.165 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](CNC(=O)c2ccc3nnnn3c2)C1 958254775 SDHJEYHHENOLSI-OLZOCXBDSA-N 316.365 -0.277 30 20 DBED CN(C(=O)[C@@H]1CCCCO1)[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 958825215 XHXLZKDAFNTMDP-KKUMJFAQSA-N 320.389 -0.001 30 20 DBED C#CCN1C[C@H]2C(NC(=O)[C@@H]3CC(=O)N(c4cn[nH]c4)C3)[C@@H]2C1 959871546 KTSIXPOHHUGCRB-RAIGVLPGSA-N 313.361 -0.558 30 20 DBED C[C@@H](C#N)C(=O)N1CCCC[C@@H]1CNC(=O)[C@@H]1CCC(=O)N1 964579943 NKUODXJEXUHFIL-TUAOUCFPSA-N 306.366 -0.078 30 20 DBED N#CCN1CCO[C@]2(CCN(C(=O)c3coc(C(N)=O)c3)C2)C1 972480437 LUIBHNJGIOBQAH-OAHLLOKOSA-N 318.333 -0.181 30 20 DBED C#CCN1C[C@@H]2CC[C@H](NC(=O)Cn3ncn(C)c3=O)C[C@H]2C1 980089148 XFMRNGLFZJFDPA-IHRRRGAJSA-N 317.393 -0.568 30 20 DBED N#CCN1CC[C@]2(NC(=O)[C@@H]3CCS(=O)(=O)N3)CCC[C@H]12 992498813 MJMUQPJWQNVNCQ-GMXVVIOVSA-N 312.395 -0.685 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC(NC(=O)[C@H]3CCCNC3=O)C2)c1 994005836 XCBZNLNUDGXSTC-NSHDSACASA-N 315.333 -0.647 30 20 DBED C#CCCN1CCC(N(C)C(=O)Cn2nc(C)n(C)c2=O)CC1 1006355354 GFCIYBLLEDJRAY-UHFFFAOYSA-N 319.409 -0.164 30 20 DBED C=CCN1CCC(N(C)C(=O)CN2C(=O)CN(C)C2=O)CC1 1006378083 RLGMOFLBHWUDNZ-UHFFFAOYSA-N 308.382 -0.011 30 20 DBED CC1(C)CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)Cn1cnnn1 1007853208 QEXKOFTXCVFZRN-GFCCVEGCSA-N 316.365 -0.560 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C(=O)[C@@H]2CCN(C)C(=O)C2)CC1 1011421347 VTXHJFQEXNFTSY-NWDGAFQWSA-N 306.366 -0.315 30 20 DBED CO[C@@H](C(=O)N1CCN(C(=O)[C@@H](C)C#N)CC1)c1cnn(C)c1 1011684474 OHQYQOGNJZAPLA-WCQYABFASA-N 319.365 -0.062 30 20 DBED Cc1cnn(CC(=O)NC2[C@@H]3CN(C(=O)[C@@H](C)C#N)C[C@@H]23)c1 1012829005 SFBCKVOFQNKQFR-QJPTWQEYSA-N 301.350 -0.076 30 20 DBED C#Cc1ccc(C(=O)NC2[C@@H]3CN(C(=O)c4cnn[nH]4)C[C@@H]23)cn1 1013511185 RWFJYIDRTWYCSJ-VXGBXAGGSA-N 322.328 -0.319 30 20 DBED C#CCN1CCC2(CC1)C[C@H]2NC(=O)[C@H]1CN(C(C)=O)CCO1 1016952902 ILIVCVXOIDYNSN-HUUCEWRRSA-N 319.405 -0.162 30 20 DBED C[C@@H]1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)CN1C(=O)C(N)=O 1018085173 ASYYJDCNMYVEJE-SCZZXKLOSA-N 303.322 -0.519 30 20 DBED C=C(Cl)CN[C@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 1019787673 YNSLPNVMOYOKKD-UWVGGRQHSA-N 307.803 -0.379 30 20 DBED C=CCn1cc(C(=O)N[C@H]2C[C@@H](NCCn3cncn3)C2)nn1 1022824490 DKGMTLVBVASOOD-TXEJJXNPSA-N 316.369 -0.394 30 20 DBED O=C(N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O)c1ccc(F)cn1 1023474054 BEOXZOGCSLRDJJ-ZIAGYGMSSA-N 317.320 -0.064 30 20 DBED C#CCN1CCC(C(=O)NC[C@@H]2CCN([C@@H](C)C(N)=O)C2)CC1 1029002954 FFYVTEJUVPFYSI-KBPBESRZSA-N 320.437 -0.357 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN([C@H](C)c2nnnn2C)C1 1030977021 AUOUXNDRCFPLEE-JLLWLGSASA-N 306.370 -0.337 30 20 DBED C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)Cn1ccc(=O)n(C)c1=O 1032433022 HFDZBPSXWWENIU-STQMWFEESA-N 318.377 -0.592 30 20 DBED C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)CCn1ncn(C)c1=O 1032537962 JKOFUSZCUNYTRK-STQMWFEESA-N 303.366 -0.720 30 20 DBED CC#CCN1CC[C@H](N(C)C(=O)[C@H]2CCN(C)S2(=O)=O)C1 1033501723 JXWMZCIUQFWOAA-QWHCGFSZSA-N 313.423 -0.424 30 20 DBED CC#CCN1CC[C@H](N(CC)C(=O)C2CC(=O)NC(=O)C2)C1 1033987069 GZIRBLDUSPVJBZ-ZDUSSCGKSA-N 305.378 -0.015 30 20 DBED C=C(C)CCN1CCO[C@H](CNC(=O)c2nnc(O)nc2O)C1 1035431976 MPPRHALJOOXIPH-SNVBAGLBSA-N 323.353 -0.320 30 20 DBED N#CCN1CCO[C@H](CNC(=O)c2cn([C@@H]3CCOC3)nn2)C1 1035569858 AGWHCBDHVQYNQI-VXGBXAGGSA-N 320.353 -0.806 30 20 DBED Cn1c(O)ncc(C(=O)N2CC[C@@H]3[C@H](CCN3CC#N)C2)c1=O 1036791066 RXSRXMJZWAMUBL-ZYHUDNBSSA-N 317.349 -0.454 30 20 DBED C=CCO[C@@H](C)C(=O)NC[C@@]1(O)CCN(C(=O)c2cocn2)C1 1040160561 DRHLQEHAKPTKMJ-NHYWBVRUSA-N 323.349 -0.041 30 20 DBED C#CCN1CCC[C@@]2(CCN(C(=O)CN3CCNC(=O)C3)C2)C1 1040326982 CPHJBRXSYJXINO-QGZVFWFLSA-N 318.421 -0.634 30 20 DBED C[C@@H]1CN(C(=O)CC(N)=O)CC[C@@H]1CN=c1cc[nH]c(C#N)n1 1040397774 ABUCATNNORXOQY-GHMZBOCLSA-N 316.365 -0.458 30 20 DBED C[C@@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)c2ccns2)C1 1040758989 CUDRJLICEAWDDA-TVQRCGJNSA-N 308.363 -0.004 30 20 DBED C[C@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)C2=CCOCC2)C1 1040763774 RKGSTOORBIYBJI-ABAIWWIYSA-N 307.350 -0.428 30 20 DBED Cc1nccn1CC(=O)N1CC[C@](O)(CNC(=O)[C@H](C)C#N)C1 1040765384 IFOBZUXYSMKFOP-ABAIWWIYSA-N 319.365 -0.569 30 20 DBED C=CCn1cc(C(=O)N2CC(O)(CNC(=O)C(F)F)C2)nn1 1041086862 GFQJZTMDZAPLAK-UHFFFAOYSA-N 315.280 -0.968 30 20 DBED N#Cc1ccc(C(=O)N2CC(O)(CNC(=O)c3ccon3)C2)[nH]1 1041699476 PVXNOEGRXHVWSJ-UHFFFAOYSA-N 315.289 -0.509 30 20 DBED CO[C@@H]1CN(c2nccnc2C#N)C[C@H]1NC(=O)[C@H]1CCCO1 1042748821 DLEJUTPNEAVFQW-JHJVBQTASA-N 317.349 -0.153 30 20 DBED Cc1ccn(CC(=O)N2CC(O)(CNC(=O)C#CC(C)C)C2)n1 1042940969 HVGKTGNTOCOJGG-UHFFFAOYSA-N 318.377 -0.460 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)c2cnoc2CC)C1 1043089055 RMOCBOSZOWUFGS-UHFFFAOYSA-N 323.349 -0.257 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)CCCn2ccnc2)C1 1043691554 LNEUAMROKCOHIJ-LBPRGKRZSA-N 319.365 -0.488 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)[C@H](C)C2CCOCC2)C1 1043828536 BHEIYCJDUZSBNS-NWDGAFQWSA-N 323.393 -0.102 30 20 DBED COc1ccc(C(=O)NCC2(O)CN(C(=O)[C@H](C)C#N)C2)cn1 1043850865 YVMHMNBMPBCZNH-SNVBAGLBSA-N 318.333 -0.447 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)[C@H]2CCN(C)C2)C1 1044478615 JJULPVRPRGYPBN-LBPRGKRZSA-N 309.410 -0.160 30 20 DBED C[C@H]1CO[C@H](C(=O)NCC2(O)CN(C(=O)C#CC3CC3)C2)C1 1044557604 NKHARPWDJVWEEW-YPMHNXCESA-N 306.362 -0.486 30 20 DBED CC[C@@H]1OCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@@H](C)C#N)C1 1045546889 SCSIXTJHVGKDOC-TUAOUCFPSA-N 309.366 -0.349 30 20 DBED Cn1cc(C(=O)NC2(C)CCN(CC#N)CC2)c(O)nc1=O 1045638451 BHBUOXFPUHKVFC-UHFFFAOYSA-N 305.338 -0.406 30 20 DBED N#Cc1nc(=N[C@H]2C[C@@H](CNC(=O)[C@H]3C[C@H]3C(N)=O)C2)cc[nH]1 1046593421 RGPSLCBXVBZQQG-YTWAJWBKSA-N 314.349 -0.802 30 20 DBED C=C(C)CN1C[C@H](O)[C@@H](N(C)C(=O)[C@@]2(C)CCNC(=O)C2)C1 1047428178 CIUGGEWQZNNYLI-XEZPLFJOSA-N 309.410 -0.018 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC(=O)N2C(C)C)C1 1047499160 AJIUDHWTUZBKMI-IHRRRGAJSA-N 307.394 -0.478 30 20 DBED N#CCN1CCN([C@@H]2CCN(C(=O)[C@H]3CCCNC3=O)C2)CC1 1052037148 FBTNWCLKIHICOV-KGLIPLIRSA-N 319.409 -0.745 30 20 DBED N#CCN1CCN([C@H]2CCN(C(=O)c3ncccn3)C2)CC1 1052099521 LILDJPYCEDINAZ-ZDUSSCGKSA-N 300.366 -0.168 30 20 DBED C=CCCC(=O)N1C[C@H](C)[C@H](CNC(=O)Cn2ncnn2)C1 1052182666 YGIRJVPWUJSZRX-NWDGAFQWSA-N 306.370 -0.150 30 20 DBED COCCn1nccc1C(=O)N1CCOC2(CN(CC#N)C2)C1 1053301731 UNBOSWMPQQETDR-UHFFFAOYSA-N 319.365 -0.420 30 20 DBED C[C@@H]1C[C@@H](C(=O)N2CCOC3(CN(CC#N)C3)C2)CC(=O)N1 1053322203 WBJFEZABCOZAST-VXGBXAGGSA-N 306.366 -0.662 30 20 DBED CN1C[C@H](C(=O)NC[C@H]2CCC3(CN(CC#N)C3)O2)CCC1=O 1053701160 NPSIDWDZVIYBAR-CHWSQXEVSA-N 320.393 -0.272 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)[C@@H]3CC(=O)N(CC)C3)CO2)C1 1053821087 UUSNZIIRAAYCIU-ZIAGYGMSSA-N 319.405 -0.162 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)[C@@H]3CCN(C)C(=O)C3)CO2)C1 1053849375 IUJNPBPQTABMON-ZIAGYGMSSA-N 319.405 -0.162 30 20 DBED N#Cc1cnc(N2C[C@@H]3C(NC(=O)[C@H]4C[C@H]4C(N)=O)[C@H]3C2)cn1 1056407795 YUIQKLXJLHXQTB-RCWTZXSCSA-N 312.333 -0.980 30 20 DBED CN1CCO[C@H](C(=O)N2CC[C@@H](N=c3cc[nH]c(C#N)n3)C2)C1 1056599607 KQKKTUOOBREKAT-NEPJUHHUSA-N 316.365 -0.886 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)c1cc[n+]([O-])cc1 1056878921 KDIPJGJNAQZJJQ-UHFFFAOYSA-N 307.350 -0.163 30 20 DBED C#CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)[C@@H](C)SC 1057056046 NVHWBSUAWHORNX-NWDGAFQWSA-N 316.423 -0.287 30 20 DBED Cn1nncc1C(=O)N1CCCN(c2nccnc2C#N)CC1 1057136887 DMKBSGDOTDWKKG-UHFFFAOYSA-N 312.337 -0.171 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)c1ccn(C)c1 1057193670 NRNWAZYTTJMIOH-UHFFFAOYSA-N 309.366 -0.222 30 20 DBED N#Cc1cncc(NC2CCN(C(=O)[C@H]3COC(=O)N3)CC2)n1 1057320332 BBUKCQLZTQXYRK-LLVKDONJSA-N 316.321 -0.140 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)Cn1ccnc1 1057996486 LXQGMUOVJBFGQU-UHFFFAOYSA-N 306.366 -0.376 30 20 DBED COc1nc(C(=O)N(CCO)CCNC(=O)C#CC(C)C)co1 1058181154 LITNHZHCDYHUEM-UHFFFAOYSA-N 323.349 -0.107 30 20 DBED C#Cc1ccc(C(=O)N(CCO)CCNC(=O)COC)cc1 1058273415 KPJHCMFGPIKLDU-UHFFFAOYSA-N 304.346 -0.135 30 20 DBED COCc1nocc1C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N 1058654711 GDKIKTROKWFXKG-JTQLQIEISA-N 324.337 -0.469 30 20 DBED CN(C[C@@H]1CCCN(C(=O)C(N)=O)C1)c1ccc(C#N)nn1 1058701809 ABXUPRGXWIUVDW-JTQLQIEISA-N 302.338 -0.492 30 20 DBED N#Cc1nc(=N[C@H]2C[C@@H](NC(=O)C[C@@H]3COC(=O)C3)C2)cc[nH]1 1059612510 WZYXRBRNRWUHRX-GARJFASQSA-N 315.333 -0.218 30 20 DBED CCn1cc(C(=O)N[C@H]2C[C@@H](N=c3cc[nH]c(C#N)n3)C2)nn1 1059707895 OJINNLVITLPVGN-AOOOYVTPSA-N 312.337 -0.246 30 20 DBED N#Cc1nc(=N[C@H]2C[C@@H](NC(=O)c3csnn3)C2)cc[nH]1 1059773748 WNQBSYNTIPJPAE-OCAPTIKFSA-N 301.335 -0.005 30 20 DBED CNC(=O)CC(=O)NC[C@H]1COCCN1C(=O)C#CC(C)C 1061528635 ZHNXSPZBJCVHAQ-LBPRGKRZSA-N 309.366 -0.875 30 20 DBED C=CCCC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1CN(C)C(=O)N1 1061751691 AHQNLVPFIITWPQ-RYUDHWBXSA-N 324.381 -0.680 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(NC(=O)CN(C)C(C)=O)CCC1 1063042481 WMHDZPQNPXNTHA-LBPRGKRZSA-N 323.393 -0.342 30 20 DBED C=CCOCC(=O)N1CCO[C@@H](CNC(=O)c2cn(C)cn2)C1 1064976207 GSLHRGNAHBACLT-LBPRGKRZSA-N 322.365 -0.420 30 20 DBED C=CCOCC(=O)N1CCO[C@H](CNC(=O)c2cn[nH]c2)C1 1064976840 QSBTWDHNFCDEPM-GFCCVEGCSA-N 308.338 -0.431 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)C(C)(C)C(N)=O)CCO1 1065263137 SGYLKNLACYIGGV-LLVKDONJSA-N 311.382 -0.192 30 20 DBED C=CCCOCC(=O)N1CCO[C@@H](CNC(=O)COCC)C1 1065279771 GGQLXNBSOPHLQJ-ZDUSSCGKSA-N 314.382 -0.041 30 20 DBED NC(=O)NCC(=O)N[C@@H]1CCCN(C(=O)C#CC2CC2)CC1 1065824401 KYQPBPXYTROVRF-GFCCVEGCSA-N 306.366 -0.435 30 20 DBED Cc1ccc(C#N)c(N[C@]2(CO)CCCN(C(=O)C(N)=O)C2)n1 1066920574 UWTBGKFOFGFGJJ-OAHLLOKOSA-N 317.349 -0.488 30 20 DBED C#CCCCC(=O)N1CCOC2(C1)CN(C(=O)c1cnn[nH]1)C2 1068389040 UXULIKHOORTTGD-UHFFFAOYSA-N 317.349 -0.338 30 20 DBED C=CCCC(=O)N[C@H]1COC2(C1)CN(C(=O)[C@@H]1CCNC1=O)C2 1068751214 MJJAZOBCGAFYFA-VXGBXAGGSA-N 321.377 -0.425 30 20 DBED N#Cc1cncc(N[C@@H]2CCC[C@H]3CN(C(=O)C(N)=O)C[C@H]32)n1 1069318782 KUESUYUKDTWTEF-MVWJERBFSA-N 314.349 -0.127 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CN(CCO)C[C@@H]2n2ccnn2)c1 1069907694 JTVPJZWKYBFINU-OLZOCXBDSA-N 315.337 -0.875 30 20 DBED COCC(=O)NC1(CNC(=O)CSCC#N)CCOCC1 1069943866 NSXFPHXDGWODLP-UHFFFAOYSA-N 315.395 -0.329 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2cnc(C)cn2)C[C@@H]1n1ccnn1 1070131070 NCHAKCOLKGDFFX-KGLIPLIRSA-N 311.349 -0.335 30 20 DBED Cn1ccc(C(=O)N2C[C@H](n3ccnn3)[C@H](NCC#N)C2)n1 1070327245 ZCUYXBFGACDWRR-NEPJUHHUSA-N 300.326 -0.810 30 20 DBED Cn1cnc([C@@H]2CN(C(=O)[C@H]3CCOC3)C[C@H]2NCC#N)c1 1070474981 YCEYIHXQVOSBAD-SGMGOOAPSA-N 303.366 -0.136 30 20 DBED C[C@@H]1CN(C(=O)CCn2cncn2)C[C@@]2(CCN(CC#N)C2)O1 1071136826 QOVLMRLVBAXYMQ-HIFRSBDPSA-N 318.381 -0.116 30 20 DBED C#CCN1CC[C@]2(C1)CN(C(=O)c1c[nH]c(=O)cn1)C[C@H](C)O2 1071201776 KSRBXZCXCQYHGZ-LRDDRELGSA-N 316.361 -0.292 30 20 DBED C[C@H]1CC[C@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)CN1CC#N 1072043765 DQWVYYBPFAGLPI-QWRGUYRKSA-N 321.381 -0.191 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(C(=O)c2cc[nH]c2)C[C@@H]1C 1072257539 OOQMHQVSBPLKHT-WCQYABFASA-N 316.361 -0.269 30 20 DBED C#Cc1cncc(C(=O)N2C[C@H](C)[C@@H](NC(=O)CC(N)=O)C2)c1 1072706839 RAOHFQZXNYUSOG-GWCFXTLKSA-N 314.345 -0.485 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC(C)(NC(=O)CC(=O)NC)CC1 1073027871 UPHIXVBVKAHVRP-LBPRGKRZSA-N 323.393 -0.342 30 20 DBED C#CCCCC(=O)N1CC[C@H](NC(=O)Cn2cnnn2)[C@H](C)C1 1073691307 BLHXGPFQNSHWNW-OLZOCXBDSA-N 318.381 -0.170 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)c1nc(C)c[nH]1 1076219773 AIRBXURPCZUGEU-JTQLQIEISA-N 319.365 -0.518 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)c2cn(C)c(C)cc2=O)C1 1077182094 ZQQPFUHIYTYLHE-UKRRQHHQSA-N 303.362 -0.508 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3nc(C)nn3C2)C1 1077433008 IIERIKZXMHYHDT-BFHYXJOUSA-N 319.409 -0.114 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@H](C)NC(=O)Cc1nc[nH]n1 1078535356 MNPSTTBQUXIBKY-TUAOUCFPSA-N 321.381 -0.051 30 20 DBED C=CCCOCC(=O)N(CC)C1CN(C(=O)Cc2nc[nH]n2)C1 1079978409 NNPIEBQZJKOJFW-UHFFFAOYSA-N 321.381 -0.001 30 20 DBED C=CCOCC(=O)N1CCC(CO)(NC(=O)c2nc[nH]n2)CC1 1080941851 VUFWYYVDPFHFDE-UHFFFAOYSA-N 323.353 -0.909 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)c2ccnn2C)C[C@@H]1O 1081333500 UJYZYZGYAXPRLR-YPMHNXCESA-N 306.366 -0.065 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2nc(C)c[nH]2)C[C@H]1O 1081346271 GGRRSBOPOCOTSV-NWDGAFQWSA-N 322.365 -0.530 30 20 DBED C#CCOCCC(=O)N1C[C@H](O)[C@H](CNC(=O)C2CC=CC2)C1 1081358502 YZZJKEOZTJEDDH-CABCVRRESA-N 320.389 -0.072 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)CSCC#N)C[C@H]1O 1081463301 LGCYLLSYOMFDRR-QWHCGFSZSA-N 323.418 -0.162 30 20 DBED CCOCCC(=O)N1C[C@H](O)[C@H](CNC(=O)C#CC2CC2)C1 1081471532 OZVSKJRFESKTED-KGLIPLIRSA-N 308.378 -0.238 30 20 DBED C=CCCOCC(=O)NC[C@H]1CN(C(=O)CSC)C[C@H]1O 1081566616 KBTZFHNSQSMPSA-NWDGAFQWSA-N 316.423 -0.122 30 20 DBED CC#CCCCC(=O)NC[C@@H]1CN(C(=O)c2cnn[nH]2)C[C@H]1O 1081672125 UIIVKXHCVXWRPD-DGCLKSJQSA-N 319.365 -0.453 30 20 DBED C=C1CC(C)(C(=O)NC[C@H]2CN(C(=O)c3cnon3)C[C@H]2O)C1 1081751989 CAMCFNRCUPYDMG-CMPLNLGQSA-N 320.349 -0.025 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](O)[C@H](CNC(=O)C(C)(C)C)C1 1081759637 CXRQCMRGMNPQGN-VXGBXAGGSA-N 323.393 -0.893 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H]1CCCCN1C(=O)CCOC 1081813129 XZXOLQGDJQTGRO-ZDUSSCGKSA-N 323.393 -0.340 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2ccc3c(O)nccc3n2)C1 1083584453 XEVHFZTWXYRAPA-KGLIPLIRSA-N 312.329 -0.257 30 20 DBED C=CCCN1CC[C@H]1CN(C)C(=O)[C@H]1CCS(=O)(=O)N1 1085976717 DTSXKOCWXJMKSU-NWDGAFQWSA-N 301.412 -0.213 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)CN2CCCNC2=O)[C@@H](O)C1 1090390397 GUQNZZPWWFWZHC-OLZOCXBDSA-N 310.398 -0.471 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2c(C)c[nH]c2CC(N)=O)[C@@H](O)C1 1090582497 BKOJBRUXZNQRCK-YPMHNXCESA-N 318.377 -0.851 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(c2ncc(Cl)cn2)C[C@@H]1O 1091152791 IIZRYFKUBQWUNM-JLLWLGSASA-N 324.768 -0.166 30 20 DBED CNC(=O)CC(=O)N1CCN(c2nc(C)cc(C#N)n2)CC1 1093145466 QUMRWFSLRNMAMH-UHFFFAOYSA-N 302.338 -0.559 30 20 DBED C=CCN1C[C@@H](C)[C@H](CNC(=O)c2cn(C)c(=O)nc2O)C1 1093191313 MDFWPNRUUJKKAD-GHMZBOCLSA-N 306.366 -0.030 30 20 DBED C=CCN1C[C@@H](C)[C@H](CNC(=O)[C@H]2CCS(=O)(=O)N2)C1 1093203234 LWIPVOJNYHFPOF-IJLUTSLNSA-N 301.412 -0.452 30 20 DBED N#Cc1nc(=NCCNC(=O)c2cccn3c(O)nnc23)cc[nH]1 1093761089 QHDQRAQFWDYMED-UHFFFAOYSA-N 324.304 -0.640 30 20 DBED Cc1cccn(CC(=O)NCCN=c2cc[nH]c(C#N)n2)c1=O 1093886358 WQAHRGOHFBPFIC-UHFFFAOYSA-N 312.333 -0.531 30 20 DBED N#Cc1ccc(NCCNC(=O)[C@@H]2CCS(=O)(=O)C2)cn1 1093977678 ISECMZUVJFUNCY-SNVBAGLBSA-N 308.363 -0.084 30 20 DBED C=CCCN1CC(N2C[C@H](NC(=O)[C@H]3COC(=O)N3)CC2=O)C1 1094730122 SHKMPVWCDHWRID-ZYHUDNBSSA-N 322.365 -0.928 30 20 DBED CN1CCCC[C@@H]1C(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1 1094750628 HYMGXRRMOFRVOX-GXTWGEPZSA-N 319.409 -0.604 30 20 DBED C[C@]1(C(=O)NCCCNc2cncc(C#N)n2)CCNC1=O 1094781331 VOYYKRPCAVQUIB-CQSZACIVSA-N 302.338 -0.207 30 20 DBED CNC(=O)CC(=O)NC[C@H](N=c1cc[nH]c(C#N)n1)C1CC1 1096651055 DMLUZHVJIBRPOA-JTQLQIEISA-N 302.338 -0.787 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H](C)Nc1ccc(C#N)nn1 1097767734 AJQDNKWINPSWLT-SNVBAGLBSA-N 300.322 -0.596 30 20 DBED CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H](C)N=c1cc[nH]c(C#N)n1 1097904734 OFZONBMMFCLXLF-ZYHUDNBSSA-N 316.365 -0.302 30 20 DBED CNC(=O)C1(C(=O)NC[C@H](C)N=c2cc[nH]cc2C#N)CC1 1097938634 PGYZRYUNAAKFCZ-JTQLQIEISA-N 301.350 -0.182 30 20 DBED C[C@@H](CNC(=O)C[C@H]1CCN(C)C1=O)N=c1cc[nH]c(C#N)n1 1098117371 KIQQZGSHMRUWEB-WDEREUQCSA-N 316.365 -0.445 30 20 DBED C[C@@H](CNC(=O)Cn1ncn(C)c1=O)Nc1ccc(C#N)nc1 1098123378 AKNVSDAUPTYRLY-JTQLQIEISA-N 315.337 -0.535 30 20 DBED CC(=O)NCC(=O)N1CCC[C@@H](N(C)c2nccnc2C#N)C1 1098667486 BMQWIIDEWQLEDL-GFCCVEGCSA-N 316.365 -0.088 30 20 DBED C[C@@H](CCNC(=O)c1nnn(C)n1)N=c1cc[nH]cc1C#N 1099618942 GIOCYCUASYHMSO-VIFPVBQESA-N 300.326 -0.481 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)Cc2ccoc2)[C@@H](O)C1 1099787607 YFPKSAJHQJGGQT-KGLIPLIRSA-N 321.377 -0.324 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCN(CCC(=C)C)C[C@H]1O 1099788993 KDVYKYYSBRPFKG-ZIAGYGMSSA-N 307.394 -0.357 30 20 DBED C#CCCCC(=O)N[C@H]1CCN(CC(=O)NC(C)C)C[C@@H]1O 1099806610 DIKIMJBZDYKTPZ-KBPBESRZSA-N 309.410 -0.134 30 20 DBED C=CCCN1CC[C@H](NC(=O)CCNC(=O)COC)[C@@H](O)C1 1099863927 ORRZFFUQOWYXJY-STQMWFEESA-N 313.398 -0.733 30 20 DBED C=CCCN1CC[C@H](NC(=O)CCCCNC(N)=O)[C@@H](O)C1 1099909615 WOBYOMZYVVDEMN-STQMWFEESA-N 312.414 -0.048 30 20 DBED CN(CCNC(=O)[C@H]1CCCC(=O)N1)c1ccc(C#N)nn1 1100190845 LJKCQOYCWODVFO-LLVKDONJSA-N 302.338 -0.431 30 20 DBED CN(CCNC(=O)[C@@H]1CCNC(=O)CC1)c1nccnc1C#N 1100237768 ZFQVRQLADGFMQC-NSHDSACASA-N 316.365 -0.183 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1CC(NCCOCCO)C1 1100285212 BTFKCUOQXDVATO-PIMMBPRGSA-N 300.399 -0.193 30 20 DBED CN(CCNC(=O)[C@H]1CCCCC(=O)N1)c1cnc(C#N)cn1 1100319772 BQFCRXUAZKGBSC-GFCCVEGCSA-N 316.365 -0.041 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)COC1CCOCC1 1101777250 REWMKVGTJVNIQR-UHFFFAOYSA-N 319.365 -0.164 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)CN(C)C(=O)C1CC1 1101999576 IQMGUQJLOVRSHX-UHFFFAOYSA-N 316.365 -0.491 30 20 DBED CC[C@H](CNC(=O)[C@H]1CN(C)CCO1)Nc1cnc(C#N)cn1 1103031066 QNFYFKZRUKWJAK-DGCLKSJQSA-N 318.381 -0.014 30 20 DBED CC[C@H](CNC(=O)c1cncnc1O)N=c1cc[nH]c(C#N)n1 1103226103 BGYUOIOXCPGJPZ-SECBINFHSA-N 313.321 -0.114 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)[C@@H]1CCC(=O)NC1 1104868143 SHLOLLHBNKBJNQ-WDEREUQCSA-N 316.365 -0.445 30 20 DBED C#CCNCc1cn(C2CN(C(=O)[C@H](C)n3cccn3)C2)nn1 1105169382 FWANGUIFTMIVRK-LBPRGKRZSA-N 313.365 -0.158 30 20 DBED C=CCNCc1cn(C2CN(C(=O)COCCCOC)C2)nn1 1105359822 XDGTYAZQKMCUIJ-UHFFFAOYSA-N 323.397 -0.010 30 20 DBED Cn1cnc(C(=O)NC[C@@H](O)CNc2nccnc2C#N)c1 1105791621 CDPXETHZUBTRQE-VIFPVBQESA-N 301.310 -0.715 30 20 DBED CNC(=O)CCCC(=O)NC[C@H](O)CN=c1cc[nH]cc1C#N 1105795174 VGVZPWUWQLXVML-GFCCVEGCSA-N 319.365 -0.820 30 20 DBED CO[C@@H](C(=O)NC[C@H](O)CNc1ccc(C#N)nn1)C1CC1 1105832660 FVJGXFZRERLDED-DGCLKSJQSA-N 305.338 -0.338 30 20 DBED Cc1nsc(NC[C@@H](O)CNC(=O)Cn2nccn2)c1C#N 1105985558 OHAHIFQSUVTKSJ-VIFPVBQESA-N 321.366 -0.496 30 20 DBED Cc1cc(=NC[C@H](O)CNC(=O)c2cncn2C)c(C#N)c[nH]1 1106010970 IHJDIANZORFETC-LBPRGKRZSA-N 314.349 -0.380 30 20 DBED Cc1ccc(C#N)c(NC[C@H](O)CNC(=O)c2[nH]nnc2C)n1 1106035995 QDMJRYSMOYZRTD-NSHDSACASA-N 315.337 -0.109 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)[C@H]1CCN(C)C1=O 1106913705 LWBGWLOODLTLLZ-NSHDSACASA-N 316.365 -0.491 30 20 DBED N#Cc1ccc(NC/C=C/CNC(=O)CCn2cnnn2)nn1 1107299929 JROIVDRACHQDNC-OWOJBTEDSA-N 313.325 -0.491 30 20 DBED CC#CCN1CCO[C@@](C)(CNC(=O)[C@H]2CN(C)CCO2)C1 1107839654 RORGVJXRJDLCJE-ZBFHGGJFSA-N 309.410 -0.453 30 20 DBED Cn1ncc(CN2CCO[C@](C)(CNC(=O)C#CC3CC3)C2)n1 1107933166 ZREWDKROXKOCSS-MRXNPFEDSA-N 317.393 -0.064 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)C[C@@H]1COC(=O)C1 1108309130 SPTGFEWGKZDHEX-UWVGGRQHSA-N 303.322 -0.360 30 20 DBED C=CCNC(=O)NC(=O)CN[C@@H]1C[C@H]2C[C@@H](C1)N(C(C)=O)C2 1108597244 KUPSUMBZXWYJGO-XQQFMLRXSA-N 308.382 -0.013 30 20 DBED C[C@@H](CN(C)c1nccnc1C#N)NC(=O)CCn1cnnn1 1109054399 UNEIAFMAHVFVPJ-JTQLQIEISA-N 315.341 -0.634 30 20 DBED C[C@@H](CN(C)c1ccc(C#N)nc1)NC(=O)Cn1ncnn1 1109116880 NQDBVODPIXXLLN-JTQLQIEISA-N 300.326 -0.419 30 20 DBED CC(C)N(C)CC(=O)N(CCO)CCNc1cnc(C#N)cn1 1111480837 LZZNSPNVJXSZLE-UHFFFAOYSA-N 320.397 -0.079 30 20 DBED CC(C)OCC(=O)NC[C@@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1112709930 QQFIQYBHUNKMMJ-YPMHNXCESA-N 319.365 -0.313 30 20 DBED C[C@H]1CC[C@@H](CC(=O)N2CCN(CC(=O)NCC#N)CC2)O1 1113294548 BXQALVAPVFHRLN-STQMWFEESA-N 308.382 -0.272 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)CCC2CCOCC2)CC1 1113397835 PFNCRXBXICXLSQ-UHFFFAOYSA-N 322.409 -0.023 30 20 DBED C=CCOCCN1CCN(C(=O)CN2CCC(=O)NC2=O)CC1 1113499423 YWBSWYHXPZCKLL-UHFFFAOYSA-N 324.381 -0.725 30 20 DBED Cc1nc(CC(=O)NC[C@@H](C)N(C)c2nccnc2C#N)n[nH]1 1113586435 ZNTBSUBKTRWURL-SECBINFHSA-N 314.353 -0.042 30 20 DBED C[C@H]1CCN(c2ncccc2C#N)C[C@H]1NC(=O)CNC(N)=O 1113997559 LDSDOQJSRRAXEM-CMPLNLGQSA-N 316.365 -0.047 30 20 DBED N#CCNC(=O)CN1C[C@H]2C(NC(=O)/C=C\c3ccc[nH]3)[C@H]2C1 1114183906 HJZWWHVVNJJLNX-OSQBGXQWSA-N 313.361 -0.286 30 20 DBED CCOCC1(C(=O)N[C@H]2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]32)CC1 1114490421 BSNBWFGEIGILGK-IMRBUKKESA-N 320.393 -0.511 30 20 DBED N#Cc1ccc2c(c1)N(C(=O)C(=O)NC[C@H]1COCCN1)CC2 1118917406 JVPDMAPTFBBQAQ-ZDUSSCGKSA-N 314.345 -0.448 30 20 DBED C[C@@H](CN(C)C(=O)[C@H]1CCC(=O)NC1)N=c1cc[nH]c(C#N)n1 1120946878 FHAYVJQWBDMEAD-QWRGUYRKSA-N 316.365 -0.445 30 20 DBED Cc1cc(C(=O)NC[C@@H](CO)Nc2nccnc2C#N)nn1C 1121149530 ANONSUOFQAIINP-JTQLQIEISA-N 315.337 -0.407 30 20 DBED C[C@H](C(=O)NC[C@@H](CO)Nc1nccnc1C#N)n1cccn1 1121213992 WDJBSVQVUIHSRF-MNOVXSKESA-N 315.337 -0.305 30 20 DBED C=CCCOCC(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1 1121748580 CTNLBBHDXVOJQI-NSHDSACASA-N 305.338 -0.748 30 20 DBED COCCO[C@H](C)C(=O)NC[C@@H](CO)Nc1ccc(C#N)nn1 1122014889 ZZVCAAPEMDDAOE-PWSUYJOCSA-N 323.353 -0.711 30 20 DBED Cc1nsc(N[C@@H](CO)CNC(=O)[C@@H]2CCNC2=O)c1C#N 1122353262 AENLYUDLLJQQRF-RKDXNWHRSA-N 323.378 -0.652 30 20 DBED Cc1nc(N[C@@H](CO)CNC(=O)C2(C(N)=O)CC2)ccc1C#N 1122452063 PKJORHLHBKVXGB-LLVKDONJSA-N 317.349 -0.584 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)c1cccnc1 1122655064 VUUPJJOROQGGGN-NSHDSACASA-N 319.365 -0.199 30 20 DBED C#CCNC(=O)CC(=O)NCCNCc1nc(CCC)no1 1125978786 XZBHPUYKPNJMMA-UHFFFAOYSA-N 307.354 -0.633 30 20 DBED C#CCO[C@H](C)C(=O)NCCNCC(=O)N(CC)CCC#N 1127039176 FGDVSBKCEDSMAO-CYBMUJFWSA-N 308.382 -0.507 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1ncnc2sccc12 1127695130 BUYBPYIEDKYUPF-UHFFFAOYSA-N 317.374 -0.240 30 20 DBED CC#CCN1CCn2ncc(CNC(=O)Cn3nccn3)c2C1 1128367284 VAFBBBUERLQTIF-UHFFFAOYSA-N 313.365 -0.370 30 20 DBED C=C(C)[C@H](CC(=O)NCCNCC(=O)NC(N)=O)OCC 1128527645 BGCFDHKTNYKHAM-JTQLQIEISA-N 300.359 -0.742 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(CCOC)C[C@@H]1n1ccnn1 1128929349 HVGDWMBMGHHBKJ-VNHYZAJKSA-N 323.397 -0.407 30 20 DBED C#CCN[C@@H]1CN(C(=O)C[C@H](C)COC)C[C@@H]1n1ccnn1 1130066754 IZKWEDDEHDZKKQ-MJBXVCDLSA-N 305.382 -0.075 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCC(=O)NCCN(CC#CC)CC1 1131357386 UGTFIMQPSXJKKD-QGZVFWFLSA-N 321.421 -0.013 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)CCCC(N)=O)CC1 1131399429 RLBREEHCKLPORQ-UHFFFAOYSA-N 310.398 -0.522 30 20 DBED C#CCNC(=O)CN1C[C@H](NC(=O)C2=COCCO2)CC[C@H]1C 1131767542 BOFZTGMSYDKGLH-CHWSQXEVSA-N 321.377 -0.407 30 20 DBED C[C@H]1CC[C@H](NC(=O)Cc2ncc[nH]2)CN1CC(=O)NCC#N 1132380252 HPWXSRWUDZVMHO-RYUDHWBXSA-N 318.381 -0.439 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)C1=CCOCC1 1134163504 BMJKYUBUWOPVSM-QWHCGFSZSA-N 307.394 -0.045 30 20 DBED C=CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)c1cnn(C)c1N 1134198188 UNXFRXJSYGFFAE-WDEREUQCSA-N 322.413 -0.209 30 20 DBED C#CCCN[C@H](C)C[C@@H](C)NC(=O)CCNS(C)(=O)=O 1134508314 AIBJEJUMMNUPGL-VXGBXAGGSA-N 303.428 -0.178 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1nc2ccccn2c1F 1146616473 LDXDFQVOLCJFDN-UHFFFAOYSA-N 317.324 -0.458 30 20 DBED C=C(Br)CNCCNC(=O)CN1C(=O)CCC1=O 1150473484 SPLFKFUDXCSDLL-UHFFFAOYSA-N 318.171 -0.250 30 20 DBED C#CCNC(=O)CNCCNC(=O)CCc1c(C)n[nH]c1C 1150726918 YBOGQMMHDJUQAX-UHFFFAOYSA-N 305.382 -0.586 30 20 DBED CC(C)[C@@H](O)C(=O)N1CCCC[C@@H]1CN(C)CC(=O)NCC#N 1157898273 RWLZHHSNJIQDCM-UKRRQHHQSA-N 324.425 -0.044 30 20 DBED C#CCNC(=O)[C@H](C)NCC1(CCNC(=O)c2cnn[nH]2)CC1 1165955821 LGBZWMLIIDDPOZ-NSHDSACASA-N 318.381 -0.568 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](N[C@H](C)C(=O)N(C)C)[C@@H]1C 1178508753 RZXRKIZDBFSFEV-AGIUHOORSA-N 322.409 -0.818 30 20 DBED C=CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)Cn2nccn2)[C@H]1C 1178788958 XNGYYZUMNCPFIK-AVGNSLFASA-N 320.397 -0.452 30 20 DBED C#CCNC(=O)[C@H](C)NCCCCCCNC(=O)c1cnn[nH]1 1178933073 RECPWVMOEIPVPD-LBPRGKRZSA-N 320.397 -0.178 30 20 DBED C[C@H]1CN(C(=O)CN2CCOCC2=O)CC[C@@H]1CNCC#N 1184586777 LGDVCYCRKUKYSW-QWHCGFSZSA-N 308.382 -0.557 30 20 DBED CCn1cc(C(=O)N2CC[C@@H](N(C)CC(=O)NCC#N)C2)cn1 1189419968 STDSEUSCMWQIMP-CYBMUJFWSA-N 318.381 -0.311 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CN(CC(=O)N(C)CC2CC2)C[C@H]1O 1191853188 CHGJWNZGXFRBGD-CYZMBNFOSA-N 308.382 -0.824 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2cc(C)on2)C[C@H]1O 1192844236 MSOZHHBICKECGA-IACUBPJLSA-N 307.350 -0.317 30 20 DBED Cc1nn(C)c(C)c1OCC(=O)N[C@@H]1CN(CC#N)C[C@H]1O 1193024156 CMXXXOZRHNEGEV-VXGBXAGGSA-N 307.354 -0.899 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2ccns2)C1 1193376964 LGWPYIAJWMYHDY-NXEZZACHSA-N 310.379 -0.780 30 20 DBED CN(CC#N)[C@H]1CCN(C(=O)CCS(=O)(=O)N(C)C)C1 1194208606 IKYUPKDKKZMQLM-NSHDSACASA-N 302.400 -0.676 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)C(=O)NCC(F)(F)F)C1 1197229114 BNWIZVXZCSKEOQ-NXEZZACHSA-N 323.315 -0.208 30 20 DBED C=CCCOCC(=O)N1CCCN([C@H]2CCC(=O)NC2=O)CC1 1198324647 VNSLBRBZYRDPHI-ZDUSSCGKSA-N 323.393 -0.081 30 20 DBED C=CCCCN1C[C@@H](O)[C@H](NC(=O)c2nccnc2C(N)=O)C1 1198499827 AOQJYVZEQYKZII-GHMZBOCLSA-N 319.365 -0.683 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)c2n[nH]c(C)c2O)CC1 1200084795 LTJJOKHXMHARGU-UHFFFAOYSA-N 321.381 -0.080 30 20 DBED CC#CCNC[C@H]1CN(C(=O)CCNC(=O)NC)CCCO1 1200429600 VADQIEJCAWJSNM-ZDUSSCGKSA-N 310.398 -0.464 30 20 DBED C=CCOCCNC[C@@H]1CN(C(=O)c2nc[nH]n2)CCCO1 1201668958 NGHVYXCTXXYAHB-GFCCVEGCSA-N 309.370 -0.172 30 20 DBED N#CCNC[C@H]1CN(C(=O)[C@@H]2CCCS2(=O)=O)CCCO1 1202109287 ODJWCGNXIFSCFN-RYUDHWBXSA-N 315.395 -0.706 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)[C@H]2CCCCN2C)C1 1208423480 LJBAGFBQVJMLQU-LSDHHAIUSA-N 320.437 -0.199 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 1209669364 POBJEQIRRBNZRE-KGLIPLIRSA-N 308.426 -0.343 30 20 DBED CCCN(C)CC(=O)N1CCC[C@@H](NCC(=O)NCC#N)C1 1210789705 QXAWAEPYWJRDCK-CYBMUJFWSA-N 309.414 -0.451 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(Cc2nnn(C)n2)C[C@H]1C 1211420624 NOJXCDCWLOQFPR-VXGBXAGGSA-N 308.386 -0.261 30 20 DBED C=CCN[C@@H]1CN(C(=O)[C@@H](CCC(N)=O)NC(C)=O)C[C@H]1C 1215945503 XSPZCEKVUIEDGB-RAIGVLPGSA-N 310.398 -0.621 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1ccon1 1217400564 WVDGMTLORCWZOY-QWHCGFSZSA-N 320.349 -0.498 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)C(=O)NCC(F)F 1218219691 FMLUBANSGXHQFY-WDEREUQCSA-N 315.320 -0.697 30 20 DBED C=CCCOCC(=O)N1CCO[C@@H]2CN([C@H]3CCNC3=O)C[C@@H]21 1219060477 KOYAUNZEEHNUNV-MELADBBJSA-N 323.393 -0.621 30 20 DBED CCCC[C@@H](C(N)=O)N1C[C@H](O)[C@H](NC(=O)C#CC2CC2)C1 1219594479 NDOAOPKKKUTZHK-RDBSUJKOSA-N 307.394 -0.395 30 20 DBED C#CCCN1CC[C@@H]2CN(C(=O)[C@@H](C)NS(C)(=O)=O)[C@@H]2C1 1221835311 GJAUVOGBUINHAL-JHJVBQTASA-N 313.423 -0.520 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCN(C(=O)Cn2ccnc2)C1 1222097724 FGGQITBPHGBCKO-GFCCVEGCSA-N 304.354 -0.897 30 20 DBED C=CCNC(=O)[C@H](C)N1CC[C@H]1CN(C)C(=O)CNC(=O)CC 1231270697 BPPKZFDOMGDQHJ-STQMWFEESA-N 324.425 -0.264 30 20 DBED C=CCNC(=O)[C@H](C)N1CC[C@H]1CN(C)C(=O)c1cnnn1C 1233992481 WWQKMXOMOINHRJ-RYUDHWBXSA-N 320.397 -0.348 30 20 DBED C=C(C)COCCNC(=O)C(=O)N1C[C@@H](CO)OC(C)(C)C1 1261407293 CGTCXJOLJNPMKA-LBPRGKRZSA-N 314.382 -0.306 30 20 DBED C=CCOCCNC(=O)C(=O)N1CCO[C@]2(CCO[C@H]2C)C1 1261582554 WMUJOHDGLROBHE-SWLSCSKDSA-N 312.366 -0.288 30 20 DBED C=CCN1CCC(NC(=O)C(=O)NCc2cn(CC)nn2)CC1 1261695615 UNGIHPCXTBIDKG-UHFFFAOYSA-N 320.397 -0.319 30 20 DBED C#CC[C@@H](CO)NC(=O)c1cc2c(c(S(N)(=O)=O)c1)CCC2 1261742548 YFLIHQOLOXEWJS-LBPRGKRZSA-N 322.386 -0.063 30 20 DBED COCCOC1CN(C(=O)C(=O)Nc2cnn(CC#N)c2)C1 1320908744 FBWBHBSHYMQSJG-UHFFFAOYSA-N 307.310 -0.781 30 20 DBED CN(C)C(=O)Cn1cc(C(=O)N[C@]2(C#N)CCSC2)nn1 1321005515 MBDGDVXKZQHIJY-LBPRGKRZSA-N 308.367 -0.505 30 20 DBED C#CCSCCNC(=O)C(=O)N[C@H](C)CS(=O)(=O)CC 1322828807 QOPDMLIWBGBQAO-SNVBAGLBSA-N 320.436 -0.592 30 20 DBED Cc1cc(NC(=O)C(=O)N[C@H](C)C(=O)N(C)C)n(CCC#N)n1 1324222545 WVZNZGIIIMGPLU-SNVBAGLBSA-N 320.353 -0.363 30 20 DBED C[C@H](O)C[C@H]1COCCN1C(=O)C(=O)N1CC[C@](F)(C#N)C1 1325161934 IDCGNQWQDMEZHX-MJVIPROJSA-N 313.329 -0.551 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N[C@@H](C)CS(=O)(=O)CC 1326650406 GNMOLZHDNNWAEU-VHSXEESVSA-N 306.384 -0.757 30 20 DBED C#CC1CCN(C(=O)C(=O)N2CCO[C@@H](C(=O)OC)C2)CC1 1327025101 RYNJVASXMIYWIT-GFCCVEGCSA-N 308.334 -0.741 30 20 DBED C[C@H]1COCCCN1C(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1329272866 KACWRPFPRSWVNF-GXTWGEPZSA-N 320.393 -0.177 30 20 DBED C=CCn1cc(CNC(=O)C(=O)Nc2cnn(C)c2C)nn1 1332025897 CVEHLWXXNMOKAC-UHFFFAOYSA-N 303.326 -0.239 30 20 DBED COc1ncc(NC(=O)CN2CCC(=O)NC2=O)cc1C#N 1361769128 YUUXTVLXQQONGX-UHFFFAOYSA-N 303.278 -0.158 30 20 DBED N#Cc1ccc(CNC(=O)CN2CC[C@H](O)[C@@H](CO)C2)cc1 1364730982 QYRPVBDRSQRZKO-CABCVRRESA-N 303.362 -0.150 30 20 DBED C[C@@H]1CN(C(=O)NCCn2cnc(C#N)n2)CC[S@@](=O)C1 1365154959 LIDSOAXDKRYKKI-LADRHHBVSA-N 310.383 -0.440 30 20 DBED C=C(Cl)CNC[C@H](O)CNC(=O)[C@@H](C)CN1CCOCC1 1367622962 IISCLDTZRJPXDS-AAEUAGOBSA-N 319.833 -0.226 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CCN(C(=O)c2ccc(C(N)=O)nc2)C1 1372020491 JCTBPXNFIKTKOP-GXSJLCMTSA-N 315.333 -0.329 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)[C@@H]2COC(=O)N2)CCCC1 1375286216 WNSMACRUPOZNBI-ZJUUUORDSA-N 308.338 -0.200 30 20 DBED CCN(C(=O)[C@@H](C)C#N)[C@H](C)CNC(=O)CCS(C)(=O)=O 1383751666 NFGKCDJRNHDHET-WDEREUQCSA-N 317.411 -0.066 30 20 DBED COCCN(CCNC(=O)[C@H](C)C#N)C(=O)[C@H]1CCC(=O)N1 1384410247 LOSZDSNCBQAUGN-GHMZBOCLSA-N 310.354 -0.984 30 20 DBED C[C@@H](CN(C)C(=O)c1cc(C#N)c[nH]1)NC(=O)Cn1cncn1 1395554919 PALIOBNXSHUTHZ-JTQLQIEISA-N 315.337 -0.245 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CCN(C(=O)CN2CCCC2=O)C1 1396776597 RRTZBFGBULJGQR-RYUDHWBXSA-N 306.366 -0.172 30 20 DBED N#Cc1ccccc1CNC[C@@H](O)CNC(=O)Cc1nc[nH]n1 1406274748 DYXAFUPZVMTUJJ-CYBMUJFWSA-N 314.349 -0.514 30 20 DBED COCCN1C[C@H](C(=O)N(C)CCNC(=O)[C@H](C)C#N)CC1=O 1408674323 WANHJESGSLFIPZ-VXGBXAGGSA-N 324.381 -0.784 30 20 DBED C[C@H](CNC(=O)c1cc(C#N)c[nH]1)N(C)C(=O)c1cnnn1C 1411519614 FFJFSKVTCNWPDE-SECBINFHSA-N 315.337 -0.095 30 20 DBED CCN(CC(=O)OC)C(=O)CCn1cc(C#N)c(O)nc1=O 1411740392 DHFALTRUMUWNIV-UHFFFAOYSA-N 308.294 -0.768 30 20 DBED N#Cc1cn(CC(=O)Nc2cnn(CC(F)F)c2)c(=O)nc1O 1417645508 UAEDYUOIMMXXRS-UHFFFAOYSA-N 324.247 -0.079 30 20 DBED C=C(Cl)CN1CC[C@](O)(CNC(=O)c2nccnc2N)C1 1421339924 MYQGVVKZHAQXCV-ZDUSSCGKSA-N 311.773 -0.022 30 20 DBED C[C@@H](C#N)C(=O)NCC1(N[C@H](C)C(=O)NC(N)=O)CCCC1 1421811668 DIURHVJGXPELEY-VHSXEESVSA-N 309.370 -0.252 30 20 DBED CCCN(CCNC(=O)c1cc(=O)n(C)cn1)C(=O)[C@H](C)C#N 1431816960 MAHXRBZVYBSADU-LLVKDONJSA-N 319.365 -0.092 30 20 DBED CC(=O)CCCC(=O)NC[C@@H](O)CNC(=O)c1ccc(C#N)[nH]1 1433243455 NKZRCSNJTPDLFT-GFCCVEGCSA-N 320.349 -0.147 30 20 DBED CC(C)Cn1ncnc1CNC[C@H](O)CNC(=O)[C@H](C)C#N 1438986935 UCVSNKQPXRVCDZ-NEPJUHHUSA-N 308.386 -0.340 30 20 DBED C=C(Cl)CN(C)CCN(C)C(=O)CNC(=O)CNC(C)=O 1445006736 NACIIYUZMRAOJT-UHFFFAOYSA-N 318.805 -0.619 30 20 DBED CCN(CCNC(=O)[C@H](C)C#N)C(=O)[C@@H]1CCCN1C(N)=O 1455657401 NCJZTBJWZOKGRT-MNOVXSKESA-N 309.370 -0.346 30 20 DBED C=C(Cl)CN1CC[C@@](O)(CNC(=O)C2CN(C(C)=O)C2)C1 1484213460 LSPVQQPKNHTSGI-CQSZACIVSA-N 315.801 -0.230 30 20 DBED COC(=O)NCC(=O)NC[C@H](C)N(C)C(=O)c1ccc(C#N)[nH]1 1486812185 FQOHENLUDZZUKU-VIFPVBQESA-N 321.337 -0.181 30 20 DBED CNC(=O)NCCC(=O)N(C)C[C@@H]1CCN1C(=O)[C@H](C)C#N 1489738144 FOCGGJKXYUHREC-MNOVXSKESA-N 309.370 -0.476 30 20 DBED COC[C@H](OC)C(=O)N[C@H]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 1494015829 OZSHUBFWAVUBCJ-GVXVVHGQSA-N 320.349 -0.075 30 20 DBED CO[C@@H](C)CCC(=O)NC[C@@H](O)CNC(=O)c1cc(C#N)c[nH]1 1501478889 CMPOKFGGZOHFRG-CMPLNLGQSA-N 322.365 -0.092 30 20 DBED CCN(CCNC(=O)Cn1nnnc1C(C)C)C(=O)[C@H](C)C#N 1528873220 LHKIURIACMMRPT-LLVKDONJSA-N 321.385 -0.079 30 20 DBED COC(=O)N(C)CCN(C)c1cnc(-c2nn[nH]n2)c(C#N)n1 1570920905 GSBMMWAHTFGVOB-UHFFFAOYSA-N 317.313 -0.337 30 20 DBED C=C(C)CN1CC[C@](O)(CNC(=O)CCOCc2cnn[nH]2)C1 1575047777 BVLUKZJDDZMBGA-HNNXBMFYSA-N 323.397 -0.160 30 20 DBED Cc1nn(C)c(N2CCN(CCN3CCNCC3)CC2)c1C#N 1579891488 NQVVQPQGUIWXKU-UHFFFAOYSA-N 317.441 -0.373 30 20 DBED C#CC[C@H](NC(=O)CCCn1cnc2c(N)ncnc21)C(=O)O 1588404568 DDYZICCLIXYTFB-VIFPVBQESA-N 316.321 -0.219 30 20 DBED C#CCN1CCN(C(=O)CN2CC[C@@H](C(=O)O)C[C@H]2C)CC1 1588477618 WSQQRLIUJBLECN-ZIAGYGMSSA-N 307.394 -0.051 30 20 DBED CC1=NNC(=O)[C@@H]1Sc1nc(N)c(-c2nn[nH]n2)cc1C#N 1590160508 FNPIXZBPXXMRDC-SSDOTTSWSA-N 315.322 -0.318 30 20 DBED CSCC[C@@H](O)C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[nH]1 1591700984 WVLWOOYNQPQZNA-ZCFIWIBFSA-N 308.327 -0.486 30 20 DBED Cc1nc([C@@H]2CCN(c3cnc(C#N)c(-c4nn[nH]n4)n3)C2)n[nH]1 1592357915 IVBUXVQFXBFBRL-MRVPVSSYSA-N 323.324 -0.051 30 20 DBED N#C[C@]1(NC(=O)[C@H]2CCCN(CC(=O)O)C2=O)CCSC1 1594602442 NZXVNMVJDXQESY-NOZJJQNGSA-N 311.363 -0.175 30 20 DBED CC(C)n1ccc(Cn2c(=O)c(C#N)cn(CC(=O)O)c2=O)n1 1603114984 HRONAPZNQYRQNW-UHFFFAOYSA-N 317.305 -0.208 30 20 DBED N#CCN1CCC(NS(=O)(=O)C2(C(=O)O)CCC2)CC1 1608187990 JAGKHJAUENSGIQ-UHFFFAOYSA-N 301.368 -0.099 30 20 DBED C[C@H]1CN(CCC(=O)O)CCN1C(=O)[C@@H](C)n1cnc(C#N)n1 1609869247 VNJNZCUKCMZVMU-WDEREUQCSA-N 320.353 -0.282 30 20 DBED N#Cc1c[nH]c(C(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 1647098324 DMPORHYYFGCUKG-SNVBAGLBSA-N 324.362 -0.690 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)NC[C@H]1CCCS(=O)(=O)C1 1649798352 BEHQCDGTWNGBJB-WDEREUQCSA-N 323.440 -0.120 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)c2cncn2C)C1 1713926973 KQXCPMIMPIDFEP-NEPJUHHUSA-N 305.382 -0.085 30 20 DBED C#CCNC(=O)[C@@H](C)NCCN(C)C(=O)CCn1cc(C)cn1 1753265728 MJRIPPXDGVYZKI-CQSZACIVSA-N 319.409 -0.232 30 20 DBED C[C@@H](CNCC(=O)NC[C@H]1CCOC1)N(C)C(=O)C#CC1CC1 1753690452 WPMJRJKTILWUHJ-DZGCQCFKSA-N 321.421 -0.011 30 20 DBED C#CCCNC[C@H]1CCC[C@@H]1NC(=O)CCCS(N)(=O)=O 1753896026 RZKIEKPYBWANMJ-OLZOCXBDSA-N 315.439 -0.047 30 20 DBED C=C(Cl)CNCC[C@@H](C)NC(=O)C[C@@H]1NC(=O)NC1=O 1753971883 IGQCUVFYFTZRHJ-BDAKNGLRSA-N 302.762 -0.179 30 20 DBED C#CCNC(=O)CN1C[C@H]2C[C@H]1[C@H]2NC(=O)Cc1ccoc1 1754423988 NQJCVSXCPWJBGY-WWGRRREGSA-N 301.346 -0.240 30 20 DBED C#Cc1ccc(C(=O)N(CCO)CCNCC(=O)NC)cc1 1754889137 MJGOCCNGRGOZOR-UHFFFAOYSA-N 303.362 -0.562 30 20 DBED C=C(C)CCC(=O)N1CCO[C@@H](CNCc2nnn(C)n2)C1 1755001309 WEFUNWHUCGDCPC-LBPRGKRZSA-N 308.386 -0.117 30 20 DBED C[C@]1(C(=O)N2CCC[C@@](CO)(NCC#N)C2)CCC(=O)NC1 1755087180 ATHSJTVGXMPCIP-LSDHHAIUSA-N 308.382 -0.631 30 20 DBED N#CCN[C@]1(CO)CCCN(C(=O)[C@@H]2CCCS2(=O)=O)C1 1755091275 IFIXJMYWMXJNLQ-WCQYABFASA-N 315.395 -0.970 30 20 DBED Cn1nnc2c(C(=O)NC3(CCO)CN(CC#N)C3)ccnc21 1755334618 FNMAUYFSOOACKD-UHFFFAOYSA-N 315.337 -0.947 30 20 DBED C=CCN1CCO[C@]2(CCN(C(=O)CS(=O)(=O)CC)C2)C1 1755403042 FVGGOLBIPYZONP-CQSZACIVSA-N 316.423 -0.090 30 20 DBED C=CCOCC(=O)N1CCO[C@H]([C@H](C)NCC(=O)NCC#N)C1 1755438665 KJTMSYBSTWXGOF-STQMWFEESA-N 324.381 -0.966 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@@H](C)N(C(=O)c2cnc(C)n2C)C1 1755680534 FVGPJFMMUZJKAL-YPMHNXCESA-N 317.393 -0.329 30 20 DBED C=CCNC(=O)CN(C)C[C@H](O)CN(C)C(=O)c1cnco1 1755802624 DXPVHCLZWOWVFE-NSHDSACASA-N 310.354 -0.659 30 20 DBED C[C@@H](C#N)C(=O)NCCOCCN(C)C(=O)Cn1cncn1 1756381305 CXUKRWIEXSWCKU-NSHDSACASA-N 308.342 -0.971 30 20 DBED C=C[C@H](CC)CC(=O)N[C@H](CO)CNC(=O)c1cnn(C)n1 1756536651 PRGFFJDAPBHYEP-MNOVXSKESA-N 309.370 -0.376 30 20 DBED CN(C[C@H]1CCN1C(=O)[C@@H]1CC(=O)N(C)C1)C(=O)C#CC1CC1 1757290347 QIIJBOXSAWAOIM-ZIAGYGMSSA-N 317.389 -0.063 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CCC[C@@](O)(C(=O)O)C1 1776863623 MCLHPCREWBJOQN-NSHDSACASA-N 305.356 -0.622 30 20 DBED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)Cc3cnn(C)c3)C2)C1 1784576662 TYYNWWXSXVJXMV-MRXNPFEDSA-N 316.361 -0.574 30 20 DBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)C3CC(=O)C3)C2)C1 1839811679 JAFKTFFDFGWAOK-INIZCTEOSA-N 320.345 -0.945 30 20 DBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(F)CCC1)CCO2 1840622343 HHOLGNZDFANMNT-HNNXBMFYSA-N 324.352 -0.032 30 20 DBED CCN(C[C@@H](C)C#N)C(=O)CN1CCNC(=O)[C@@H]1CC(=O)OC 51794841 ZQHWDWUCDJUSND-RYUDHWBXSA-N 324.381 -0.642 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1CCC(C(=O)O)CC1 71228524 HIUBPUWLYJHKJZ-UHFFFAOYSA-N 319.383 -0.110 30 20 DBED C=CCNC(=O)CNC(=O)N(CC)[C@H](C)CS(C)(=O)=O 272032997 UQGVVBORMQBRBY-SNVBAGLBSA-N 305.400 -0.247 30 20 DBED CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)NC(CO)CO 279313132 YZUNAHBTHIVEOZ-UHFFFAOYSA-N 308.338 -0.477 30 20 DBED C=CCCN(C)C(=O)C(=O)NCCCN(C)S(=O)(=O)CC 284309011 VQAYAOSXNLVFQN-UHFFFAOYSA-N 319.427 -0.191 30 20 DBED CCN(CCS(=O)(=O)c1ccc(C#N)cn1)[C@H]1CCNC1=O 289444664 OPSYEAIVTYIWAK-LBPRGKRZSA-N 322.390 -0.063 30 20 DBED CC1(C)C(=O)NCCN1CCS(=O)(=O)c1ccc(C#N)cn1 290187847 FSNBZKBOFNKTLC-UHFFFAOYSA-N 322.390 -0.063 30 20 DBED CN1C(=O)C[C@@H](C(=O)N2CC(O)(CC#N)C2)[C@H]1c1ccnn1C 329064547 ONHUBRFZLTVPFH-MFKMUULPSA-N 317.349 -0.574 30 20 DBED CC/N=C(/O)CN1CCN(C(=O)CN2CC(O)=NC2=O)CC1 329456799 NAZLJYNCMGNNEL-UHFFFAOYSA-N 311.342 -0.501 30 20 DBED CS(=O)(=O)N1CCN(C/C(O)=N/[C@@H]2CCCN=C2O)CC1 329961539 RQYWUQVGOGSSKC-SNVBAGLBSA-N 318.399 -0.361 30 20 DBED C[C@H](C(O)=Nc1ncccn1)N1CCN2C(=O)C(=O)NC[C@@H]2C1 330133959 MFFFZEHLHMHEJG-NXEZZACHSA-N 318.337 -0.904 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCO[C@@H](CN(C)C)C1 330393065 QDKFLIZRUGXYNE-OLZOCXBDSA-N 318.443 -0.025 30 20 DBED CCS(=O)(=O)C[C@H](C)N/C(O)=N/CC(=O)N1CCOCC1 330692253 ZRQDKFVSPPOLCO-JTQLQIEISA-N 321.399 -0.828 30 20 DBED CC/N=C(/O)NC(=O)[C@H](C)N1CCO[C@H](CNC(C)=O)C1 330800636 DPQCMKJSVFPFMS-GXSJLCMTSA-N 300.359 -0.738 30 20 DBED CCC1(CO)CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)CC1 336880527 CIIANENEPNDBGV-GFCCVEGCSA-N 317.411 -0.060 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1CCC(CO)CC1 337083628 BTBIHXOIXZDOMF-UHFFFAOYSA-N 305.400 -0.202 30 20 DBED C=CC[C@@H](CO)CNC(=O)NCCS(=O)(=O)NC(C)C 341801600 OQLIPPOTVBUCGF-LLVKDONJSA-N 307.416 -0.202 30 20 DBED CC[C@@H](C)[C@H](NS(C)(=O)=O)C(=O)N1CCN(CC#N)CC1 345548414 OIXUZWCYGVUFLN-NEPJUHHUSA-N 316.427 -0.382 30 20 DBED CCOC(=O)c1c[nH]nc1S(=O)(=O)N1CCOC[C@@H]1C#N 351697773 PZZYTDVXHBMZDL-QMMMGPOBSA-N 314.323 -0.501 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N[C@H]1CCOC[C@H]1OCC 355260941 ZJTXTHHXOZWMPR-QWHCGFSZSA-N 314.382 -0.042 30 20 DBED CCNC(=O)CNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 357637953 QUQJIJGYQCCIGL-UHFFFAOYSA-N 323.374 -0.275 30 20 DBED C[C@@H]1C[C@H](N2CCOCC2)CN1C(=O)NCC(=O)NCC#N 358284552 YKXXJMCXXPBPBE-NEPJUHHUSA-N 309.370 -0.869 30 20 DBED COC(=O)CN(CC#N)CC(=O)NCCCN1CCCC1=O 362229821 STJMITZWPBJXBL-UHFFFAOYSA-N 310.354 -0.886 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC[C@@H](n2cc(C(=O)OC)nn2)C1 371996797 BEKXKBNIYZTGLS-VXGBXAGGSA-N 319.365 -0.161 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)NC[C@@H]1CN(C)CCN1C 407953441 CRYWONQZNCMCLH-VXGBXAGGSA-N 303.432 -0.842 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)CCn2cc(C)cn2)CC1 491209345 FYEDKIWTHXAFBT-UHFFFAOYSA-N 317.393 -0.525 30 20 DBED C#C[C@H](C)N(C)CC(=O)c1c(N)n(CC(C)C)c(=O)n(C)c1=O 491723990 AKUIGWOUNXTPOK-NSHDSACASA-N 320.393 -0.079 30 20 DBED C#CCN(C)C(=O)C(=O)N1CCN(C(C)(C)C(=O)OC)CC1 491744924 ZWHUWTKMJHOFTR-UHFFFAOYSA-N 309.366 -0.826 30 20 DBED C[C@H]1CN(CCNS(=O)(=O)c2ccc(C#N)nc2)CCO1 548696886 GLXFIUXAFMOPLC-NSHDSACASA-N 310.379 -0.048 30 20 DBED N#Cc1cccc(NC(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)n1 564942210 JDVWSIRCIVUUCZ-VIFPVBQESA-N 300.278 -0.279 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)[C@H]2CCc3nnnn3CC2)C1=O 569464652 SPASVTBJBBLDRZ-RYUDHWBXSA-N 318.381 -0.129 30 20 DBED C=CCOC[C@@H](NC(=O)c1cccc(C(N)=O)n1)C(=O)OC 574252422 VMKBQKIFNQLDAJ-LLVKDONJSA-N 307.306 -0.346 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H](CCOC)C(=O)O 574695290 IFPUKTBDFJSFEU-ZJUUUORDSA-N 307.372 -0.208 30 20 DBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H]1CCNC1 576123478 LDAMYZRGZVRVJV-NEPJUHHUSA-N 315.381 -0.070 30 20 DBED CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)c1ncc(C#N)cc1C 598020783 NDCRCEANLAKFAI-MNOVXSKESA-N 309.347 -0.197 30 20 DBED COc1cc(NC(=O)C(=O)NC(CO)CO)c(F)cc1C#N 599956880 CRTGZNREWHKNLA-UHFFFAOYSA-N 311.269 -0.886 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N(C)[C@H]1CCC(=O)N(C)C1 601457863 FZNUWYUBOVDCHE-MNOVXSKESA-N 302.400 -0.125 30 20 DBED Cn1cc(C#N)c(NC(=O)N2CCC[C@H](S(N)(=O)=O)C2)n1 612752089 ZAINMHJLJAEESN-VIFPVBQESA-N 312.355 -0.423 30 20 DBED N#CCCn1ccc(=NC(=O)N=c2ccn(CCC(N)=O)[nH]2)[nH]1 614289130 BCVGXYDHXGKTBR-UHFFFAOYSA-N 316.325 -0.644 30 20 DBED C[C@H](NC(=O)C(=O)NCC(=O)N(C)C)c1cccc(C#N)c1 615004184 LBHKIVFLOAFYPW-JTQLQIEISA-N 302.334 -0.060 30 20 DBED C=CCCOCC(=O)NCCNS(=O)(=O)Cc1ccon1 674254644 NMRIZACSGNFMMX-UHFFFAOYSA-N 317.367 -0.197 30 20 DBED COCC#CCN1CCN([C@@H](C)C(=O)NCCCOC)CC1 677818836 WWQWATVWJAWYSP-HNNXBMFYSA-N 311.426 -0.205 30 20 DBED N#CCNC(=O)COC(=O)[C@H]1CC[C@@H](C(F)(F)F)NC1=O 731240183 FMEOSBADUPZVRE-BQBZGAKWSA-N 307.228 -0.374 30 20 DBED C#CCN1CCN(C(=O)CN[C@H](CC(=O)OC)C2CC2)CC1 754512361 GFLIFNAHSKGNGQ-CQSZACIVSA-N 307.394 -0.305 30 20 DBED O=C(C#Cc1ccc2c(c1)OCO2)N1CC[C@@H](CO)[C@H](O)C1 763265834 KGAKBPDWONGAFP-QWHCGFSZSA-N 303.314 -0.032 30 20 DBED C[C@H]1CCCC1=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 771892803 VCJKRWSFVBLENQ-QMMMGPOBSA-N 314.367 -0.462 30 20 DBED C#CCC[C@@H](O)CNC(=O)NCCC(=O)N1CCN(C)CC1 798361698 JUMVPTDPAJWALV-CYBMUJFWSA-N 310.398 -0.776 30 20 DBED C[C@@H](NC(=O)COC(=O)c1cccc(C#N)n1)C(=O)N(C)C 811253838 PZCDUCBGGARVID-SECBINFHSA-N 304.306 -0.297 30 20 DBED CN(C)C(=O)N1CCC(C(=O)N[C@@H]2CCCN(O)C2=O)CC1 816758975 BNGFIRGPYHDTAL-LLVKDONJSA-N 312.370 -0.124 30 20 DBED O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCC[C@@H]1C(=O)O 819691606 SAWULTNZHJOCPK-TWLKNAOBSA-N 307.306 -0.022 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 825089434 CSCWFNAZVQKQIP-CHWSQXEVSA-N 314.407 -0.740 30 20 DBED N#C[C@H]1CNC[C@H]1NC(=O)CN1C(=O)NC2(CCCC2)C1=O 834506186 QHOXCSCMLJVWSR-VHSXEESVSA-N 305.338 -0.921 30 20 DBED N#C[C@@H]1CNC[C@H]1NC(=O)CSCC(=O)N1CCCCC1 834517480 VYMRWOVDFJQRGC-VXGBXAGGSA-N 310.423 -0.040 30 20 DBED C=CCONC(=O)[C@H](C)NS(=O)(=O)c1c(C)nn(C)c1C 837048620 VHGZRAJZCIMAQH-VIFPVBQESA-N 316.383 -0.062 30 20 DBED Cc1ccc(C(=O)NCCNS(=O)(=O)N(C)C)cc1C#N 837637876 WLPKFROBCWSEJO-UHFFFAOYSA-N 310.379 -0.008 30 20 DBED C#CC[C@H](NS(=O)(=O)c1cc(C(=O)OC)co1)C(=O)OC 841540522 MCOFUGXRODNTBS-VIFPVBQESA-N 315.303 -0.091 30 20 DBED C#CCONC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1 855606976 UGMOZSKHUGVFEL-LBPRGKRZSA-N 319.317 -0.162 30 20 DBED C#Cc1cccc(NC(=O)C(=O)NCCN2CC[C@@H](O)C2)c1 862118845 FLKFRRLIPUWPQJ-CQSZACIVSA-N 301.346 -0.211 30 20 DBED C#CCN(CC#CC)S(=O)(=O)CCCN1CCN(C)CC1 866880687 VQGMKENVCABGNB-UHFFFAOYSA-N 311.451 -0.088 30 20 DBED C=CCNC(=O)[C@@H](C#N)C(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O 916921459 SXVJVFNFCQPJFJ-BONVTDFDSA-N 318.333 -0.282 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@@H]1CCN(C(=O)CC(N)=O)C1 936964687 AMPDRKMNKDGZAW-XUJVJEKNSA-N 323.393 -0.098 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@H](NC(=O)C[C@@H]2CC(=O)NC2=O)C1 938254157 NNQCZCFZDAMTDT-MNOVXSKESA-N 321.377 -0.032 30 20 DBED C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)Cn3cnnn3)C2)C1 938681885 GPTLZWZPWVALCL-NSHDSACASA-N 304.354 -0.254 30 20 DBED C=CCCn1cc(C(=O)N2C[C@@H](NCC(N)=O)[C@H](C)C2)nn1 939291561 FZANHQAJIUDMAR-GHMZBOCLSA-N 306.370 -0.610 30 20 DBED C=CCN[C@@H]1CN(C(=O)CN2C(=O)NC(=O)C2(C)C)C[C@H]1C 939481122 WYCMOORMHHLTEO-GHMZBOCLSA-N 308.382 -0.061 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)Cn3nccn3)C2)[nH]1 940666224 KAUMYFCHGVJFNT-LLVKDONJSA-N 313.321 -0.491 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)Cn3ncnn3)C2)cc1 941970324 URBAQNUMUBVTQL-CQSZACIVSA-N 324.344 -0.315 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)Cn2ncn(C)c2=O)[C@@H](C)C1 942201011 RUQRJCCODSLWKL-STQMWFEESA-N 307.398 -0.016 30 20 DBED Cc1n[nH]cc1C(=O)NC[C@@H]1CN(C(=O)[C@@H](C)C#N)CCO1 944701516 SSRKMZZXEVVTLG-GXSJLCMTSA-N 305.338 -0.165 30 20 DBED CN(C(=O)[C@H]1CCC(=O)N1)C1CN(C(=O)c2cc(C#N)c[nH]2)C1 953892137 XYJJPHZKYVUXGH-LLVKDONJSA-N 315.333 -0.552 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2scnc2COC)C1 958472814 YMRMCSMIRZADTR-PWSUYJOCSA-N 309.391 -0.055 30 20 DBED CN1CC[C@H](N2C[C@@H]3C(NC(=O)c4ccc(C#N)[nH]4)[C@H]3C2)C1=O 958589696 FKOWYJZEQMGVFP-GVXVVHGQSA-N 313.361 -0.223 30 20 DBED C[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1NC(=O)Cn1nccn1 966414682 SBOBCAQNICTFNR-AAEUAGOBSA-N 301.350 -0.345 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)C(N)=O 969796821 FFLSHQZTJFGDAO-RNJOBUHISA-N 321.377 -0.345 30 20 DBED O=C(Cc1ncc[nH]1)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 970078475 FLKZXUVUAWZTIM-NEPJUHHUSA-N 302.334 -0.947 30 20 DBED C#CCN1CC([C@H](C)NC(=O)c2cn(C[C@@H]3CCOC3)nn2)C1 970662795 MMDDJAMZOZOLOJ-STQMWFEESA-N 317.393 -0.002 30 20 DBED C#CCCN1CCO[C@@]2(CCN(C(=O)[C@H]3CCNC3=O)C2)C1 972494975 VUGZFPUIXYAVMT-BBRMVZONSA-N 305.378 -0.551 30 20 DBED C[C@@H](C(=O)N1CC[C@@]2(CN(CC#N)CCO2)C1)N1CCOCC1 972708004 NPKHNWCBGJEAQB-GOEBONIOSA-N 322.409 -0.466 30 20 DBED N#CCN1C[C@@H]2CC[C@@H](NC(=O)CN3CCNC(=O)C3)C[C@H]2C1 980160279 NUQPDGCKOBSPEI-MELADBBJSA-N 319.409 -0.842 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](CNC(=O)c2cncnc2O)C1 983212918 SSBYCSNKXANCJN-ZJUUUORDSA-N 303.322 -0.080 30 20 DBED C=CCN[C@@H]1CCN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)[C@@H]1C 987186192 BCHAZMKYECVHBY-ZYHUDNBSSA-N 316.365 -0.164 30 20 DBED C[C@H](C#N)C(=O)N1CC(NC(=O)[C@H]2CCCCN(C)C2=O)C1 996385328 WKMWPOVKNUPXEE-ZYHUDNBSSA-N 306.366 -0.268 30 20 DBED N#CCNC1CCN(C(=O)[C@@H]2CCc3nnc(O)n3C2)CC1 996746164 UDHJDZNKLLIHRY-SNVBAGLBSA-N 304.354 -0.350 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)[C@@H]3CCC(=O)N3)C2)cc1 997333490 XRUJPPCQRLBNAM-AWEZNQCLSA-N 311.341 -0.113 30 20 DBED C#Cc1cncc(C(=O)NC2CN(C(=O)c3cnnn3CC)C2)c1 999304593 NWPMIFWFORAOPX-UHFFFAOYSA-N 324.344 -0.071 30 20 DBED NC(=O)C(=O)N1CC[C@H]([C@H]2CCCN(C(=O)C#CC3CC3)C2)C1 1003137242 FAJTVMOTJBAXKN-KBPBESRZSA-N 317.389 -0.028 30 20 DBED N#Cc1cc(C(=O)N2C[C@H]3CC[C@H]2CN3C(=O)CC(N)=O)c[nH]1 1007200301 KMHDZSLHKDANMT-NEPJUHHUSA-N 315.333 -0.423 30 20 DBED Cn1cc(OCC(=O)N2CCN(C(=O)C#CC3CC3)CC2)cn1 1011109659 SWEIEHSMXORGTE-UHFFFAOYSA-N 316.361 -0.117 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2C[C@H](C)N(C(=O)C(N)=O)C2)nc1 1013966036 JLOHEGADYISYSZ-ONGXEEELSA-N 300.318 -0.733 30 20 DBED CN1CC(=O)N(CC(=O)NC2C[C@@H]3CC[C@H](C2)N3CC#N)C1=O 1021454643 QJOOGFYTZKGKPQ-YOGCLGLASA-N 319.365 -0.484 30 20 DBED C=CCN1CC[C@@H](N[C@H]2C[C@@H](NC(=O)[C@H]3COC(=O)N3)C2)C1=O 1022036000 DIZVNSYHWKGHJX-WRWGMCAJSA-N 322.365 -0.882 30 20 DBED C#CCN[C@@H]1CC[C@H]2CN(C(=O)CCN3C(=O)CCC3=O)C[C@H]21 1026305684 CXUFCYCFEUIJHN-BFHYXJOUSA-N 317.389 -0.015 30 20 DBED C#CCN1CCC[C@H]1CNC(=O)c1ccc(S(N)(=O)=O)o1 1027994436 NIKBBXGENTYFDH-JTQLQIEISA-N 311.363 -0.246 30 20 DBED C#CCCN1CCC[C@H]1CNC(=O)c1cn(C)c(=O)n(C)c1=O 1028179099 WFXUVGILAMUQCW-LBPRGKRZSA-N 318.377 -0.699 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)c3cnnn3CC)C2)C1=O 1030279902 AYTUQTWWSYYMJV-LBPRGKRZSA-N 318.381 -0.501 30 20 DBED C#Cc1ccc(C(=O)NCC2CN([C@H](CC)C(N)=O)C2)cn1 1032138101 LKCWJHIJSQHEKP-CQSZACIVSA-N 300.362 -0.012 30 20 DBED C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)C1CC2(C1)NC(=O)NC2=O 1032679343 LPVXVJYSRACPQD-SLMGRZLQSA-N 318.377 -0.164 30 20 DBED C=CCN1CC[C@H](N2CC[C@@H](NC(=O)[C@@H]3CCC(=O)N3)C2)C1=O 1032843154 KYZBWKKZXUSQFZ-AGIUHOORSA-N 320.393 -0.758 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(CC(=O)N(C)C)C1 1033163015 WZKFWFGMJURIJX-CABCVRRESA-N 320.437 -0.295 30 20 DBED C#CCN[C@H]1CC[C@H](NC(=O)CN2CCN(C)C(=O)C2)CC1 1034674721 BJGRSNKEHHIYQK-HDJSIYSDSA-N 306.410 -0.589 30 20 DBED C#CCN1CCO[C@H](CNC(=O)c2nc(C)c(C)nc2O)C1 1035415335 MBOOZAPHENSIKV-GFCCVEGCSA-N 304.350 -0.137 30 20 DBED CC#CCN1CC2(CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)CC2)C1 1035793425 VBIIOXLACLCGFF-UONOGXRCSA-N 319.405 -0.033 30 20 DBED C#CCN[C@H]1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)C[C@@H]1C 1036215805 BBRWHNLJDXUXOP-STQMWFEESA-N 318.377 -0.614 30 20 DBED Cc1nn(CC(=O)N2[C@H]3CC[C@H]2CN(CC#N)CC3)c(=O)n1C 1039464998 IHNQTMJMTWCGOV-STQMWFEESA-N 318.381 -0.521 30 20 DBED C=CCCC(=O)N1CC[C@](O)(CNC(=O)Cc2nnc(C)o2)C1 1039615869 DGALQZSIAOEEDZ-HNNXBMFYSA-N 322.365 -0.034 30 20 DBED C#CCCCC(=O)N1CC[C@](O)(CNC(=O)CC(=O)N(C)C)C1 1039752644 ASEAXNVXAKNRQT-INIZCTEOSA-N 323.393 -0.652 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)c3cnsn3)C2)nn1 1040939793 WNIXBGYLPRQKGM-NXEZZACHSA-N 317.334 -0.821 30 20 DBED Cn1nncc1C(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1O 1041006213 QGCRFWPPCDMHIP-ZYHUDNBSSA-N 313.321 -0.939 30 20 DBED CC#CCN1CC[C@]2(CCN(C(=O)C3CS(=O)(=O)C3)C2)C1 1041320347 DZPSFSJEGGJAIN-HNNXBMFYSA-N 310.419 -0.021 30 20 DBED N#Cc1ccc(N[C@H]2C[C@@H](NC(=O)C(N)=O)C23CCC3)nn1 1041613605 WBPHVDMEZHCEKM-VHSXEESVSA-N 300.322 -0.327 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)c2c(C)ncn2C)C1 1041963466 PIAXIAKWAPFJNL-UHFFFAOYSA-N 306.366 -0.002 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(O)(CNC(=O)[C@H](C)COC)C1 1042022974 IBCANQFZWWCOBD-BXUZGUMPSA-N 314.382 -0.715 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)Cc2cc(C)[nH]n2)C1 1042802246 HNJXYUDTGQJAEU-UHFFFAOYSA-N 318.377 -0.246 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(O)(CNC(=O)[C@H](O)C(C)C)C1 1042877732 SZDUVZCLMRKKCS-TZMCWYRMSA-N 314.382 -0.980 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)CCSC)C1 1043033126 RCMAVAOQFRMFPP-UHFFFAOYSA-N 314.407 -0.531 30 20 DBED C[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1Nc1nccnc1C#N 1043086295 INYKBUAKTVAXAO-MWLCHTKSSA-N 323.378 -0.348 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]2CC[C@@H](C1)N2Cc1nnnn1C 1045735538 OQUWBBJXFUQTMR-TUAOUCFPSA-N 303.370 -0.065 30 20 DBED N#CCN1CC[C@H]2[C@H]1CCCN2C(=O)CN1C(=O)CNC1=O 1049886741 UCIRTDBJBGONDN-MNOVXSKESA-N 305.338 -0.873 30 20 DBED C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)CN1C(=O)CCC1=O 1049889745 RJPKUTGOYRTYCT-CHWSQXEVSA-N 303.362 -0.166 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)c1cnn2c(=O)cc[nH]c12 1051153425 OXVNXWDKFSZMMN-LLVKDONJSA-N 315.333 -0.914 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H](CNCc2cnon2)C1 1051834577 QYGUXYZICWJBQU-MJBXVCDLSA-N 322.365 -0.022 30 20 DBED C#CCCN1CCN([C@@H]2CCN(C(=O)[C@H]3CCC(=O)N3)C2)CC1 1051997908 KNKGZFGGXHGPAL-HUUCEWRRSA-N 318.421 -0.493 30 20 DBED C[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1CNC(=O)Cc1nc[nH]n1 1052554377 OYEALPVIDKVSEY-AAEUAGOBSA-N 315.377 -0.029 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)[C@@H]1CCNC(=O)CC1)CCO2 1053358406 QPEHQOZAZVVIDN-AWEZNQCLSA-N 319.405 -0.161 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)[C@H]1CCN(C)C1=O)CCO2 1053382975 PVJMQGOJPYFFGN-ZDUSSCGKSA-N 305.378 -0.599 30 20 DBED N#CCN1CC2(CC[C@@H](CNC(=O)c3coc(C(N)=O)c3)O2)C1 1053637798 DRIRVNHACRBGKD-NSHDSACASA-N 318.333 -0.135 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)[C@@H]3CCCN(C(N)=O)C3)CO2)C1 1053864498 CFGMWNCXXCUDQV-CHWSQXEVSA-N 320.393 -0.630 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)C(=O)N3CC[C@H](C)C3)CO2)C1 1053979846 CAOMRPYAGCDMQK-KBPBESRZSA-N 319.405 -0.162 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@](CO)(NC(=O)c2cn(C)cn2)C1 1055882411 FQCLGPHPWMZVFL-XHDPSFHLSA-N 319.365 -0.337 30 20 DBED CCN(CC)CC(=O)N[C@]1(CO)CCCN(C(=O)[C@@H](C)C#N)C1 1055957086 YGJQAUVPSUHYHK-XJKSGUPXSA-N 324.425 -0.042 30 20 DBED CN1CCC[C@@H]1C(=O)N[C@H]1[C@@H]2CN(c3cnc(C#N)cn3)C[C@@H]21 1056148734 GRUNSOSSJPGEIL-COMQUAJESA-N 312.377 -0.007 30 20 DBED CCc1cc(C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N)n[nH]1 1057037712 LNYQTDOEZMVHSN-JTQLQIEISA-N 307.354 -0.318 30 20 DBED N#Cc1cccnc1N1CCCN(C(=O)[C@@H]2CNC(=O)N2)CC1 1057216374 PTTBBKXKXBSZRO-LBPRGKRZSA-N 314.349 -0.327 30 20 DBED C=C(C)CCC(=O)NCCN(CCO)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1057545766 OLCMXFIVLBAWBE-VXGBXAGGSA-N 313.354 -0.055 30 20 DBED C#CCOCCC(=O)N(CCO)CCNC(=O)[C@@H](C)COC 1057581568 ULNHWXINYCVDNE-ZDUSSCGKSA-N 314.382 -0.754 30 20 DBED N#Cc1ccc(N2CCC[C@H](NC(=O)Cn3cnnn3)C2)nc1 1058118303 CQTMRDRWJHPCRK-LBPRGKRZSA-N 312.337 -0.275 30 20 DBED N#Cc1nccnc1N1CCC[C@@H](NC(=O)[C@H]2COCCO2)C1 1058120305 LXKFTPLHSINEJW-DGCLKSJQSA-N 317.349 -0.151 30 20 DBED C#CCNC(=O)CC(=O)NCCN(CCO)C(=O)C[C@@H]1C[C@@H]1C 1058720084 PXRSLCOXXUDXCW-STQMWFEESA-N 323.393 -0.891 30 20 DBED CC#CCCCC(=O)NCCN(CCO)C(=O)[C@H]1C[C@H]1C(N)=O 1058859177 OSZYTZCPDNGMCR-OLZOCXBDSA-N 323.393 -0.762 30 20 DBED N#Cc1nccnc1N1CC[C@H](CNC(=O)[C@@H]2COC(=O)N2)C1 1061592607 QGPWGYSFWNSHBY-KOLCDFICSA-N 316.321 -0.601 30 20 DBED C=C(C)CCC(=O)NC[C@H]1COCCN1C(=O)Cn1ncnn1 1061631415 VNKYOUAFVKBXFP-LBPRGKRZSA-N 322.369 -0.627 30 20 DBED C=CCO[C@H](C)C(=O)N1CCOC[C@@H]1CNC(=O)c1cnn[nH]1 1061696694 AUTZXXJBQMHVBW-MNOVXSKESA-N 323.353 -0.647 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)CCn1ccnc1 1061735566 SRIMMNBRSXIDSP-OLZOCXBDSA-N 319.365 -0.224 30 20 DBED Cc1cc(C(=O)N2CCOC[C@@H]2CNC(=O)[C@@H](C)C#N)nn1C 1061848206 XFIQRWMDAACFPG-JQWIXIFHSA-N 319.365 -0.155 30 20 DBED CN(C(=O)Cn1ncnn1)[C@@H]1CCN(c2nccnc2C#N)C1 1062979998 HKVWQJYMUFCGHZ-SNVBAGLBSA-N 313.325 -0.928 30 20 DBED N#Cc1cncc(N2CC[C@H]3CN(C(=O)CC(N)=O)CC[C@@H]32)n1 1063998352 BCXQESXEXWRXQW-JQWIXIFHSA-N 314.349 -0.349 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCC1(NC(=O)CC(N)=O)CCC1 1064583922 UFXJYDVJMLOSHS-MNOVXSKESA-N 309.366 -0.392 30 20 DBED C=CCOCCCC(=O)NC[C@@H]1CN(C(=O)COC)CCO1 1064755419 ZZXLSWMMSFRLSJ-CYBMUJFWSA-N 314.382 -0.041 30 20 DBED CCOCC(=O)N1CCO[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1 1064808695 RLTBTSGAHWASIY-GFCCVEGCSA-N 320.349 -0.120 30 20 DBED C=CCCC(=O)N1CCO[C@@H](CNC(=O)[C@@H]2COCCO2)C1 1064955339 FRGUGUGGMYTSAF-STQMWFEESA-N 312.366 -0.288 30 20 DBED C=CCCC(=O)N1CCO[C@@H](CNC(=O)[C@@H]2CCN(C)C2=O)C1 1064960599 ZPYCTFCGQFMQDU-STQMWFEESA-N 323.393 -0.226 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CN(C(=O)C2CCN(C)CC2)CCO1 1065305307 GBQZYWIJTWUPLS-TZMCWYRMSA-N 322.409 -0.169 30 20 DBED NC(=O)C1(C(=O)N2CCO[C@H](CNC(=O)C#CC3CC3)C2)CC1 1065544574 VYFSYFVTNRCMDG-GFCCVEGCSA-N 319.361 -0.991 30 20 DBED C=CCOCC(=O)N1CCC[C@@H](NC(=O)[C@H]2CCC(=O)N2)CC1 1065984308 YZUNDEBPVAJAQJ-CHWSQXEVSA-N 323.393 -0.035 30 20 DBED N#Cc1cnc(N2C[C@H](CNC(=O)c3ccccn3)[C@@H](O)C2)cn1 1067643132 QMRXWCIQEDQSNB-FZMZJTMJSA-N 324.344 -0.030 30 20 DBED Cc1ccc(C#N)c(N[C@H](C)[C@H]2CN(C(=O)C(N)=O)CCO2)n1 1068243714 MXIXSQXPNYNUCY-ZYHUDNBSSA-N 317.349 -0.225 30 20 DBED CC(C)C#CC(=O)N1CC2(C[C@@H](NC(=O)c3nc[nH]n3)CO2)C1 1068954266 DGOMXHRRMAEXBC-LLVKDONJSA-N 317.349 -0.436 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2cc(=O)n(C)o2)C1 1069916192 JIMSRARVLWEKOS-MNOVXSKESA-N 318.337 -0.589 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2ccc(C#C)cn2)C[C@@H]1n1ccnn1 1070312179 CJVIUEZOEWWDGA-CVEARBPZSA-N 320.356 -0.057 30 20 DBED C=CCOCC(=O)N1CCC[C@@H](NC(=O)c2cn(C)nn2)C1 1070553924 AMQPMJZKRSXAAW-LLVKDONJSA-N 307.354 -0.262 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CCCN(C(=O)C2CS(=O)(=O)C2)C1 1070783246 GKYTYLFRIYTPMM-GXSJLCMTSA-N 313.379 -0.702 30 20 DBED Cn1nncc1C(=O)N1CCC([C@@H]2OCC[C@H]2NCC#N)CC1 1071053110 CRGGXWVTIJKBAV-OCCSQVGLSA-N 318.381 -0.062 30 20 DBED C[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1NC(=O)CS(C)(=O)=O 1072047912 HEIKYLWSZGGSRE-JQWIXIFHSA-N 312.391 -0.593 30 20 DBED C#CCCN1CCCO[C@H](CNC(=O)[C@H]2CCCNC2=O)C1 1073649026 KJCSMSZWJGMADW-KGLIPLIRSA-N 307.394 -0.257 30 20 DBED CCN1CCOC[C@@H]1C(=O)NC[C@@H]1CN(CC#N)CCCO1 1073669876 ABTDBQHCGZEBGV-ZIAGYGMSSA-N 310.398 -0.562 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)[C@@H]2CCCN2C(N)=O)C1 1073911320 NCEUPULXAKTYAB-OLZOCXBDSA-N 308.382 -0.630 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)CCc3nc[nH]n3)C[C@@H]21 1074212793 WEBNQMBAJILWTL-QWHCGFSZSA-N 303.366 -0.328 30 20 DBED C=CCCC(=O)N[C@@H](C)CCNC(=O)CN1CCOCC1=O 1077024131 JWYDZJFKCHWXSO-LBPRGKRZSA-N 311.382 -0.178 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)C1(COC)CC1 1077364746 IEHZGSQTXVIGAB-LBPRGKRZSA-N 323.393 -0.437 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)C(=O)N2CC[C@@H](C)C2)C1 1077970501 TYSHOJSLROMHNQ-YUSALJHKSA-N 315.801 -0.231 30 20 DBED C=CC(C)(C)C(=O)N[C@@H](C)CCNC(=O)CN1C(=O)CNC1=O 1078581721 CQXWDMXDGZYRSJ-JTQLQIEISA-N 324.381 -0.239 30 20 DBED C#CCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)CNC(=O)CC)C1 1079775507 ZKYPLXHJBGDBLH-LBPRGKRZSA-N 323.393 -0.390 30 20 DBED COCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2ccc(C#N)[nH]2)C1 1081413929 MZJSIYXGYCMOPK-GXFFZTMASA-N 320.349 -0.528 30 20 DBED C=C(C)CCC(=O)N1C[C@H](CNC(=O)CC(=O)NC)[C@@H](O)C1 1081433114 GMVXEVNNLMKZQR-RYUDHWBXSA-N 311.382 -0.586 30 20 DBED C#Cc1cncc(C(=O)N2C[C@@H](N[C@H](C)C(N)=O)[C@H](C)C2)c1 1082729939 PIWJJJWMVVZSTE-JTNHKYCSSA-N 300.362 -0.013 30 20 DBED C=CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1COCCN1C 1083056214 FPCINFHRZKXDFE-RRFJBIMHSA-N 309.410 -0.195 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2cn3c(n2)C[C@H](OC)CC3)C1 1083564214 SHKNJTAWRMIOOA-BZPMIXESSA-N 318.377 -0.748 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)C[C@H]2CCC(=O)N2C)C1 1083693465 JHROPVJECPNJSF-UTUOFQBUSA-N 315.801 -0.089 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCCCN2C(N)=O)C1 1083939839 YMEWQTIQKJPCCK-UPJWGTAASA-N 308.382 -0.896 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)Cc2nc(C3CC3)nn2C)C1 1084077483 XDDJDXNNANBGFR-OLZOCXBDSA-N 317.393 -0.580 30 20 DBED C#CCCN1CC[C@@H]2CN(C(=O)CN3CC(=O)NC3=O)C[C@@H]2C1 1088142813 DLBRJWDBMSKUJI-OLZOCXBDSA-N 318.377 -0.658 30 20 DBED COc1nc(C)ncc1C(=O)N[C@@H]1CCN(CC#N)C[C@H]1O 1090310685 NAXATKIIIGWQBV-VXGBXAGGSA-N 305.338 -0.518 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cnc3n2CCOC3)[C@H](O)C1 1090338244 ZLSVIMFDHNWJIM-WCQYABFASA-N 304.350 -0.789 30 20 DBED C#CCN1CC[C@H](NC(=O)c2ncn(C(C)(C)C)n2)[C@H](O)C1 1090570429 QROTWAQFUVANLM-NWDGAFQWSA-N 305.382 -0.169 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2CCN(CCCO)C[C@@H]2O)cn1 1090739404 JODYQOBEJXMLAA-GJZGRUSLSA-N 303.362 -0.390 30 20 DBED C#CCN1CC[C@@H](NC(=O)CN2CCCCCC2=O)[C@H](O)C1 1090788825 ARZHUALPTODUIM-ZIAGYGMSSA-N 307.394 -0.426 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(c2nccnc2F)C[C@H]1OC 1090922226 CEQMWDJEJARRQD-IJLUTSLNSA-N 322.340 -0.026 30 20 DBED CO[C@@H](C)CCC(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1091096541 RYHXAVYIACUVBM-UHTWSYAYSA-N 319.365 -0.171 30 20 DBED N#Cc1cncc(N[C@H]2C[C@@H](CNC(=O)Cn3nccn3)C2)n1 1091373889 FXIPWMAAZWRQKC-PHIMTYICSA-N 312.337 -0.053 30 20 DBED C[C@@]12CN(CC#N)C[C@@H]1CN(C(=O)CN1CCOCC1=O)C2 1091742536 YWEZBTPEGCARHJ-DOMZBBRYSA-N 306.366 -0.851 30 20 DBED CN(CCOCCN(C)c1cnc(C#N)cn1)C(=O)CC(N)=O 1091887232 JUZPFFMCCRTIOU-UHFFFAOYSA-N 320.353 -0.865 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)[C@H]3COC(=O)N3)c3nccn32)C1 1092366331 RHDFBMPKENTRDA-NXEZZACHSA-N 316.321 -0.913 30 20 DBED N#Cc1ccc(N2CC[C@@]3(CNC(=O)C(N)=O)CCC[C@@H]23)nn1 1092712876 NZVGECARFASAGU-IAQYHMDHSA-N 314.349 -0.301 30 20 DBED CC(C)[C@@H](O)C(=O)N[C@H]1[C@@H]2CN(c3cncc(C#N)n3)C[C@@H]21 1093261414 VHZOAHXHTHOIQT-UVLXDEKHSA-N 301.350 -0.084 30 20 DBED C[C@@]1(C(=O)NCCNc2cncc(C#N)n2)CCCS1(=O)=O 1093721435 PBQNUBLOMPTIOQ-ZDUSSCGKSA-N 323.378 -0.156 30 20 DBED C#CCCN1CC(N2C[C@H](NC(=O)c3cc[nH]n3)CC2=O)C1 1094710870 XVOVCSIVULIEBA-LLVKDONJSA-N 301.350 -0.552 30 20 DBED N#CCN1CC(N2C[C@@H](NC(=O)C[C@@H]3CCCOC3)CC2=O)C1 1094816354 AGJHZEXCYWYXKQ-STQMWFEESA-N 320.393 -0.272 30 20 DBED CN(CCCNC(=O)[C@]1(C)CNC(=O)C1)c1cnc(C#N)cn1 1095681789 LVSKSDAIRKGFPZ-HNNXBMFYSA-N 316.365 -0.183 30 20 DBED N#Cc1nccc(N2CC[C@H](NC(=O)C3(C(N)=O)CC3)C2)n1 1096476573 RCZDGVHNSKJZNL-VIFPVBQESA-N 300.322 -0.691 30 20 DBED N#Cc1ccc(N2C[C@@H]3CC[C@H](C2)N3C(=O)CNC(N)=O)cn1 1096882059 HSJLKPQVAOZEBZ-BETUJISGSA-N 314.349 -0.199 30 20 DBED CCS(=O)(=O)CC(=O)NC[C@H](C)N=c1cc[nH]cc1C#N 1097900454 PNZOMNGQUQXJHS-JTQLQIEISA-N 310.379 -0.274 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCN(C)C1=O)N=c1cc[nH]c(C#N)n1 1098194005 MXZMRSAZADSVIY-VHSXEESVSA-N 302.338 -0.835 30 20 DBED N#CCN(CCO)C1CCN(C(=O)[C@H]2CCNC(=O)CC2)CC1 1098442668 JFRXSHDSCYTNPX-CYBMUJFWSA-N 322.409 -0.288 30 20 DBED C#CCN(CCO)C1CCN(C(=O)[C@@H]2CCC(=O)N(C)C2)CC1 1098575532 SZPJIBJZMBPDMD-CQSZACIVSA-N 321.421 -0.227 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)[C@H]1CCC(=O)N1)C[C@@H](C)O2 1098578315 QRSHHPLCGUUCRT-ZIAGYGMSSA-N 319.405 -0.020 30 20 DBED C#CCCCC(=O)N[C@@H]1CCN(CC(=O)N2CCC2)C[C@H]1O 1099806721 FPEKSFNJTYOJMK-ZIAGYGMSSA-N 307.394 -0.426 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CCc2ccn(C)n2)[C@H](O)C1 1099860918 JZDOBYJIIWDABU-HUUCEWRRSA-N 304.394 -0.073 30 20 DBED C=CCCN1CC[C@@H](NC(=O)CN(C)S(C)(=O)=O)[C@@H](O)C1 1099861180 OIGKZVHFDAGZLD-NEPJUHHUSA-N 319.427 -0.995 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2c(C)ncn2C)[C@H](O)C1 1099885620 POGVCOYVLPQDKB-UONOGXRCSA-N 320.393 -0.457 30 20 DBED C=C(C)CCN1CC[C@H](NC(=O)C(=O)NCC(F)F)[C@@H](O)C1 1099901740 NTBGEBDXAGJRQK-QWRGUYRKSA-N 319.352 -0.115 30 20 DBED C#CCN1CC[C@@H](NC(=O)CNC(=O)CCC(C)C)[C@@H](O)C1 1100036857 OILXZCAFGCFTIS-KGLIPLIRSA-N 309.410 -0.277 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)c2cncnc2)C1 1100265003 OPRYMYOCSUGWTO-UHFFFAOYSA-N 301.350 -0.676 30 20 DBED CN(CCNC(=O)c1cnc2[nH]nnc2c1)c1nccnc1C#N 1100382472 CEIOGYJGDFIZNU-UHFFFAOYSA-N 323.320 -0.119 30 20 DBED CN(CCNC(=O)CN1CCOCC1=O)c1ccc(C#N)nc1 1100382636 LVTLTIRYKQFWGW-UHFFFAOYSA-N 317.349 -0.636 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CC(CNC(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1100587197 LFKIPWCMHGSCBN-BZPOBWDRSA-N 319.405 -0.499 30 20 DBED C#CCCNC1CC(CNC(=O)CN2C(=O)NC(C)(C)C2=O)C1 1100940851 BNOBIDVRROIHGH-UHFFFAOYSA-N 320.393 -0.176 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)CN(C)C(C)C)C1 1102600891 AKJIZGYAWOVUQU-HUUCEWRRSA-N 322.453 -0.240 30 20 DBED CN(C(=O)C(C)(C)C(N)=O)[C@@H]1CCN(c2cnc(C#N)cn2)C1 1102740423 OHAUJOOLLBXZJB-LLVKDONJSA-N 316.365 -0.103 30 20 DBED CC[C@H](CNC(=O)[C@@]1(C)CCNC1=O)N=c1cc[nH]c(C#N)n1 1103322746 FGAHTJXNFGRALO-BMIGLBTASA-N 316.365 -0.397 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)[C@@H]1CCNC1=O 1104157453 NBPGMEBPSQUWNH-NXEZZACHSA-N 302.338 -0.930 30 20 DBED C#CCCNCc1cn(C2CN(C(=O)CC(=O)N(C)C)C2)nn1 1105340668 JYZJQBWSKQTXEF-UHFFFAOYSA-N 318.381 -0.747 30 20 DBED N#Cc1cncc(NC[C@@H](O)CNC(=O)CO[C@@H]2CCOC2)n1 1105972623 OBUVYHILDHOVFQ-VXGBXAGGSA-N 321.337 -0.957 30 20 DBED N#Cc1nccnc1NC[C@@H](O)CNC(=O)C1(F)CCOCC1 1106150175 MMWOLZKVLFPBBR-SNVBAGLBSA-N 323.328 -0.244 30 20 DBED C[C@H](CCNc1ccc(C#N)nc1)NC(=O)[C@H]1CNC(=O)N1 1106544254 XVZRVDYZICUNLJ-BXKDBHETSA-N 302.338 -0.059 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@]1(C)CN(CC(=O)NC)CCO1 1107903310 UECLSTMZGHKVDW-GJZGRUSLSA-N 313.398 -0.733 30 20 DBED C[C@H](CNc1ccc(C#N)nn1)NC(=O)CC1CS(=O)(=O)C1 1107995734 PMUNUUFATMQALV-SECBINFHSA-N 323.378 -0.300 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H](C)CNc1ccc2nnnn2n1 1108337510 CNWGMYFLDSATRH-ZANVPECISA-N 305.342 -0.237 30 20 DBED CCN1CCO[C@@H](C(=O)N[C@@H](C)CNc2nccnc2C#N)C1 1108396627 VPZPHVDIOWJNAY-WCQYABFASA-N 318.381 -0.014 30 20 DBED CC(C)C#CC(=O)N[C@H]1CC(=O)N(C2CN(C[C@@H](C)O)C2)C1 1108543655 ZCDIZGTXKKGGLR-OLZOCXBDSA-N 307.394 -0.572 30 20 DBED C=C(C)C[C@H](C)C(=O)N[C@H]1CC(=O)N(C2CN(CC(N)=O)C2)C1 1108567163 XFDYBFBTHXTPGU-RYUDHWBXSA-N 322.409 -0.525 30 20 DBED C[C@H](CN(C)c1cnc(C#N)cn1)NC(=O)c1cnn(C)n1 1109014652 INOPYVQHWUAOOQ-SECBINFHSA-N 300.326 -0.269 30 20 DBED CS(=O)(=O)CC(=O)N[C@H]1[C@H]2C[C@H]1N(c1ccnc(C#N)n1)C2 1109693154 NWXGEDCAWWLUAQ-RWEMILLDSA-N 321.362 -0.914 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1[C@H]2C[C@H]1N(c1cnc(F)cn1)C2 1109704236 OTXRTFMJRSSZPU-WMFXKJRFSA-N 317.324 -0.552 30 20 DBED N#Cc1cnc(NC[C@@H](NC(=O)[C@@H]2CCC(=O)N2)C2CC2)cn1 1109880228 FJDMROKPJRLWOT-NWDGAFQWSA-N 314.349 -0.066 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)COC)C[C@H]1C(F)(F)F 1112027864 PEZUVOOPBDAAEI-NXEZZACHSA-N 321.299 -0.639 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CCN(c2cnc(C#N)cn2)[C@H](C)C1 1112470480 XFLKMTVMSDFIEF-GHMZBOCLSA-N 316.365 -0.042 30 20 DBED C#CCOCCC(=O)NC[C@H]1CN(c2cc(C)ncn2)C[C@@H]1O 1112739239 WLYNSIPXXZQZRX-KBPBESRZSA-N 318.377 -0.262 30 20 DBED C[C@@H](C(=O)N1CCN(CC(=O)NCC#N)CC1)n1cccc1 1112769015 SCMFBPYIZUOSET-ZDUSSCGKSA-N 303.366 -0.167 30 20 DBED C#CCNC(=O)CC(=O)N1CCN(Cc2nccn2C)CC1 1112774029 FHHVVTHOLDUQDY-UHFFFAOYSA-N 303.366 -0.796 30 20 DBED C[C@H](N=c1cc[nH]c(C#N)n1)[C@@H](C)NC(=O)c1c[nH]c(=O)cn1 1113294472 ZIZHZGWBYXJLQV-DTWKUNHWSA-N 313.321 -0.528 30 20 DBED C[C@H](CNC(=O)CCNC(N)=O)N(C)c1ccc(C#N)nc1 1113609609 OUADELAMWSAZSE-SNVBAGLBSA-N 304.354 -0.047 30 20 DBED CNC(=O)C1(C(=O)NC[C@@H](C)N(C)c2cnc(C#N)cn2)CC1 1113660982 YCICARGGZFWECV-SNVBAGLBSA-N 316.365 -0.185 30 20 DBED Cc1cc(C#N)nc(N(C)[C@@H](C)CNC(=O)Cc2nc[nH]n2)n1 1113713918 BPCZUPLFIJDJCS-JTQLQIEISA-N 314.353 -0.042 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)c3cnc(C)cn3)[C@@H]2C1 1113801138 NQVRRRPXKQSSII-VXGBXAGGSA-N 313.361 -0.806 30 20 DBED COC[C@@H](OC)C(=O)NC[C@@H](C)N(C)c1cncc(C#N)n1 1113856698 CUAVWNUOAQGNBY-ZYHUDNBSSA-N 307.354 -0.049 30 20 DBED C=CCCC(=O)N[C@H]1[C@@H]2CN(C[C@H](O)CN3CCCC3=O)C[C@@H]21 1114020905 LMFWXMBJYPYNED-SZOQZIPDSA-N 321.421 -0.018 30 20 DBED CC[C@H](SC)C(=O)NC1[C@H]2CN(CC(=O)NCC#N)C[C@H]12 1114151297 GOOAYXSHEYUIOK-DCAQKATOSA-N 310.423 -0.186 30 20 DBED C#CCCCC(=O)NC1[C@H]2CN(Cc3nc(=O)n(C)[nH]3)C[C@H]12 1114199410 UERHTHDTWKGERA-QWRGUYRKSA-N 303.366 -0.542 30 20 DBED C#CCOCCC(=O)N[C@H]1[C@@H]2CN(CCn3cncn3)C[C@@H]21 1114268157 GTAGEVTTZDACAG-NHAGDIPZSA-N 303.366 -0.636 30 20 DBED C=CCOCCN1C[C@H]2[C@H](NC(=O)[C@H]3C[C@H]3C(=O)N(C)C)[C@H]2C1 1114835850 RSYNZLMLUANCOD-XPABHHOTSA-N 321.421 -0.040 30 20 DBED CC(=O)N(C)CC(=O)N[C@@H](C)CCCN=c1cc[nH]c(C#N)n1 1114863335 AGESNKUNLWPVOU-NSHDSACASA-N 318.381 -0.055 30 20 DBED C#CCNC1(CNC(=O)Cn2ccc(O)nc2=O)CCCCC1 1115618585 KUGJFSXYPQWGGP-UHFFFAOYSA-N 318.377 -0.009 30 20 DBED C[C@H](CN(C)C(=O)c1ccc(O)nn1)N=c1cc[nH]c(C#N)n1 1115640168 QQSMJKVHTCCTSX-SECBINFHSA-N 313.321 -0.162 30 20 DBED C[C@@H](CN(C)C(=O)C[C@H]1CCC(=O)N1)N=c1cc[nH]c(C#N)n1 1115782233 FTTGYENWNOIMIB-WDEREUQCSA-N 316.365 -0.302 30 20 DBED C=CCS(=O)(=O)CCNC(=O)NCc1ccc(C(N)=O)o1 1116535159 UUDOWCHIVWTERZ-UHFFFAOYSA-N 315.351 -0.222 30 20 DBED COCC[C@H](NC(=O)C(=O)Nc1ccc(C#N)c(F)c1)C(N)=O 1117675547 NQDXBJKCFQZESD-NSHDSACASA-N 322.296 -0.358 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1118478057 SZCCVUYAKCHOQH-HNNXBMFYSA-N 307.350 -0.638 30 20 DBED N#Cc1ccc(F)c(CNC(=O)C(=O)NCCn2cncn2)c1 1119736909 WDVBHTAIGNYOHF-UHFFFAOYSA-N 316.296 -0.279 30 20 DBED CC(C)C#CC(=O)NC[C@H](CO)Nc1ncnc2c1ncn2C 1121529150 VILGDFOYBPHGFR-LLVKDONJSA-N 316.365 -0.088 30 20 DBED CCCN(C)CC(=O)NC[C@@H](CO)Nc1nc(C)cc(C#N)n1 1121887869 LYNUSQLTOLVVKX-ZDUSSCGKSA-N 320.397 -0.113 30 20 DBED CCN(C)CCC(=O)NC[C@H](CO)Nc1cnc(C#N)cn1 1122026547 CWJVXKVZOJTRPT-GFCCVEGCSA-N 306.370 -0.421 30 20 DBED N#Cc1cccnc1N[C@@H](CO)CNC(=O)C[C@@H]1CCNC1=O 1122191410 USVBQOBPQQJUQW-CMPLNLGQSA-N 317.349 -0.632 30 20 DBED Cc1nc(N[C@H](CO)CNC(=O)[C@H](C)CC(N)=O)ccc1C#N 1122357093 SIXPJHZWTIMOOH-SKDRFNHKSA-N 319.365 -0.338 30 20 DBED Cc1cc(=N[C@@H](CO)CNC(=O)[C@@]2(F)CCOC2)c(C#N)c[nH]1 1122412195 WOQGSYPPYIDDTA-IUODEOHRSA-N 322.340 -0.299 30 20 DBED C#CCOCCN(C)C(=O)[C@H]1CCCN(S(N)(=O)=O)C1 1124133648 ZXQKFSYOFSIOIX-NSHDSACASA-N 303.384 -0.990 30 20 DBED CN(C[C@H](O)CNc1cncc(C#N)n1)C(=O)c1cnon1 1124466550 TYLNWDNQQXFRAL-SECBINFHSA-N 303.282 -0.724 30 20 DBED C#CCOCCC(=O)NCCN[C@@H]1CCN(C2CCC2)C1=O 1127023734 QGKWHICRNXSFTI-CQSZACIVSA-N 307.394 -0.115 30 20 DBED CC(=O)NCC(=O)N(C)CCOCCNc1cncc(C#N)n1 1127150169 BMYOKZJOCPNBSD-UHFFFAOYSA-N 320.353 -0.629 30 20 DBED C#CCN1CCn2ncc(CNC(=O)C[C@H]3CCC(=O)N3)c2C1 1128521102 JVKSKKOMCWBOLB-CYBMUJFWSA-N 315.377 -0.383 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1cnc(C)nc1OC 1128918495 JGBVBLPKLJDFFS-SNVBAGLBSA-N 319.365 -0.749 30 20 DBED C#CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)CCOCC#C)C1 1128998894 IRBOWFNSOIPUDP-CABCVRRESA-N 315.377 -0.317 30 20 DBED CCOCC(=O)NCc1nc([C@@H]2C[C@H](OC)CN2CC#N)n[nH]1 1130253584 FGGPSJKVNYKYAG-QWRGUYRKSA-N 322.369 -0.257 30 20 DBED C#CCCN1CC[C@]2(C1)CN(C(=O)CCNC(N)=O)C[C@H](C)O2 1131697809 RIDYGSUKSLUAHX-BBRMVZONSA-N 322.409 -0.240 30 20 DBED C[C@@H]1CC[C@@H](NC(=O)c2cc[nH]n2)CN1CC(=O)NCC#N 1131813508 OXIHPVAXXVAMRS-GHMZBOCLSA-N 304.354 -0.368 30 20 DBED C#CCNC(=O)CNC[C@H]1CN(C(=O)c2cc[nH]n2)CC[C@@H]1C 1132655062 HFKCZVAZMUULAA-STQMWFEESA-N 317.393 -0.153 30 20 DBED C[C@@H]1CCN(C(=O)c2nnc(O)nc2O)C[C@H]1CNCC#N 1132956077 XQEBIBIIJXFXKQ-RKDXNWHRSA-N 306.326 -0.506 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)c1conc1C 1133236980 RFONFCZDJICOBP-JTQLQIEISA-N 323.353 -0.297 30 20 DBED C=CCCN[C@H](C)C[C@@H](C)NC(=O)CNC(=O)CNC(C)=O 1134769029 IEXPMVNGNYXUOR-VXGBXAGGSA-N 312.414 -0.312 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)NCCNCCN1CCCC1=O 1134816894 JIQSFVWEWXKYAK-CQSZACIVSA-N 324.425 -0.215 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)Cn1ccnc1C 1146333313 NRGGEMPHTWPNIH-QWHCGFSZSA-N 319.409 -0.186 30 20 DBED CCOCCCC(=O)N1CC2(CCN(CC(=O)NCC#N)C2)C1 1147039808 DQNWQVFVGCJPMP-UHFFFAOYSA-N 322.409 -0.023 30 20 DBED C#CCO[C@H](C)C(=O)N1CC2(CCN(Cc3nnn(C)n3)C2)C1 1147530338 JSUQINHMHZRKEG-GFCCVEGCSA-N 318.381 -0.717 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1cncnc1CC 1151258630 FRYLVJTZPYYEPT-LLVKDONJSA-N 303.366 -0.504 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1c[nH]c2nccc-2c1 1160480372 QKQOLYCIFCKYOY-UHFFFAOYSA-N 313.361 -0.027 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)[C@@H](C)S(C)(=O)=O 1161095337 SMBNYBJMMJLHSI-WDEREUQCSA-N 319.427 -0.794 30 20 DBED C[C@H](NCC1(CCNC(=O)[C@H](C)C#N)CC1)C(=O)NC(N)=O 1163841371 OAEYBMRAKLAUFZ-ZJUUUORDSA-N 309.370 -0.394 30 20 DBED CNC(=O)NC(=O)CNCC1(CCNC(=O)[C@H](C)C#N)CC1 1163855031 XQBWQUCCMDEKHA-SNVBAGLBSA-N 309.370 -0.522 30 20 DBED C[C@@H](CCCCNCC(=O)NCC#N)NC(=O)c1cnon1 1175795705 ZTYBQQGYTCJEFH-JTQLQIEISA-N 308.342 -0.412 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](NCCN2CCCC2=O)C1 1182466325 MZBYLHRBLWXJBJ-CQSZACIVSA-N 307.394 -0.161 30 20 DBED C[C@@H]1CN(C(=O)CN2CCCNC2=O)CC[C@@H]1CNCC#N 1184735172 MSDUWQJLYCJBKG-CHWSQXEVSA-N 307.398 -0.001 30 20 DBED CCn1ncc(C(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)c1C 1186520732 OWCSKVKSUPXVTL-GFCCVEGCSA-N 318.381 -0.345 30 20 DBED CCNC(=O)NC(=O)CN1C[C@@H]2CCN(C(=O)[C@H](C)C#N)[C@@H]2C1 1187311377 FYLHQSJRVNDEDA-GRYCIOLGSA-N 321.381 -0.476 30 20 DBED CNC(=O)NC(=O)CN1C[C@@H]2CCN(C(=O)C#CC3CC3)[C@@H]2C1 1187819633 GKIOZQHGMJQGSE-QWHCGFSZSA-N 318.377 -0.612 30 20 DBED C=CCNC(=O)NC(=O)CN(C)[C@H]1CCN(C(=O)C(F)F)C1 1188520754 XIYXWBBUKRNKOH-VIFPVBQESA-N 318.324 -0.204 30 20 DBED CN(CC(=O)NCC#N)[C@@H]1CCN(C(=O)c2ccccn2)C1 1188626724 WDRROBYCJQIMDX-GFCCVEGCSA-N 301.350 -0.132 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3nonc3C)[C@@H]2C1 1190486502 DYXLSFGUTPVWLB-NWDGAFQWSA-N 317.349 -0.726 30 20 DBED C=CCNC(=O)[C@H](C)N(C)[C@@H]1CCN(C(=O)c2[nH]nnc2C)C1 1191675594 ZFLZWUCOWYEQKH-NWDGAFQWSA-N 320.397 -0.050 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2c(C)noc2C)C[C@H]1O 1192886263 ORVJVJXVNNGWIY-HUUCEWRRSA-N 321.377 -0.007 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2ccnc(C)n2)C1 1194060832 RCIPQWKCDZQLHA-CYBMUJFWSA-N 315.377 -0.319 30 20 DBED N#CCNC(=O)CN1CCCN(C(=O)c2csnn2)CC1 1196673144 AMEYJOPZXGXGBF-UHFFFAOYSA-N 308.367 -0.674 30 20 DBED CN1CCC(C(=O)N2CCCN(CC(=O)NCC#N)CC2)CC1 1197022000 KHDMVVZGBBBCMN-UHFFFAOYSA-N 321.425 -0.498 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)CS(=O)(=O)C(C)(C)C)C1 1197799287 JVYFDMCMAWJPJN-GHMZBOCLSA-N 304.412 -0.453 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)c2cnn(C)c2N)CCCO1 1200338702 QNHDORIQAQDIHI-GFCCVEGCSA-N 305.382 -0.154 30 20 DBED C#CCCCC(=O)N1CCCO[C@@H](CNCC(=O)NCC#C)C1 1200403844 BEKSGFKCRDBRJE-HNNXBMFYSA-N 319.405 -0.254 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC[C@@H](NCC(=O)NC(=O)NC)C1 1208018969 WXJRRTKTFPYMMQ-NWDGAFQWSA-N 324.381 -0.939 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(C)C2)C1 1208265026 QZYAHPXXQMVJGB-QWHCGFSZSA-N 322.409 -0.653 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)c2cn(CC)cn2)C1 1210691358 XNMZTKHEPFSFTI-CYBMUJFWSA-N 317.393 -0.153 30 20 DBED C=C[C@@](C)(O)CC(=O)N1C[C@@H](NCc2nnnn2C)[C@H](C)C1 1214520413 HQDVOYWDQSJBCI-JTNHKYCSSA-N 308.386 -0.526 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2c[nH]nc2C)C[C@H]1C 1215277139 KOCFCHOMKPBLBX-MPKXVKKWSA-N 317.393 -0.094 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)CCCC(N)=O)C[C@H]1C 1217015888 FFBIALDWHFHVET-FRRDWIJNSA-N 322.409 -0.784 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)CSC 1217225312 IDSKQFIFCPPVDU-NWDGAFQWSA-N 311.407 -0.990 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CCCO1 1217230468 IQRVTBHCINLILX-MELADBBJSA-N 323.393 -0.621 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CN(Cc2nnc(C3CC3)o2)C[C@@H]1O 1219379426 SXFRRZMMBPBUSW-GDPRMGEGSA-N 305.338 -0.232 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2n[nH]c(C)n2)C[C@@H]1O 1221146040 SVKCYNZRCUCGLU-JLLWLGSASA-N 309.370 -0.634 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)C3=COCCC3)[C@@H]2C1 1221423917 SUGKJVAYIYIGNO-UKRRQHHQSA-N 317.389 -0.037 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)C[C@H]3CCOC3)[C@@H]2C1 1221458367 CZECXKMFAVJVLB-RBSFLKMASA-N 319.405 -0.305 30 20 DBED C=CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3nc[nH]n3)[C@@H]2C1 1221879616 KWWULMWNSTZLDV-GHMZBOCLSA-N 304.354 -0.747 30 20 DBED C=CCNC(=O)CN1CC[C@H]1CN(C)C(=O)Cc1ccnn1C 1233966927 SDNIHBHYAQVOFN-AWEZNQCLSA-N 319.409 -0.203 30 20 DBED CC(C)C#CC(=O)N(C)C[C@H]1CCN1[C@@H](C)C(=O)NC(N)=O 1234128188 BBBMPEAYILYISX-NWDGAFQWSA-N 308.382 -0.238 30 20 DBED C=CCNC(=O)CN(C)CCCNC(=O)CCC(=O)NCC 1235613363 NYWOQJRPPQLNGU-UHFFFAOYSA-N 312.414 -0.357 30 20 DBED N#CCNC(=O)CN[C@H]1CCN(C(=O)CCN2CCCCC2)C1 1267026048 CKQMRVJABWGGIS-AWEZNQCLSA-N 321.425 -0.307 30 20 DBED COc1c(S(=O)(=O)NC(=O)CSCC#N)c(C)nn1C 1320458293 DNCIZYATDGOBJW-UHFFFAOYSA-N 318.380 -0.201 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCC[C@@H]2CN(C)CC[C@H]21 1323261659 MTDNKKVIUSAFOP-ZIAGYGMSSA-N 307.394 -0.305 30 20 DBED C=C(C)COCCNC(=O)C(=O)NC[C@@H]1CC(=O)N(C2CC2)C1 1323372756 BRPIDPWXTLVCBG-LBPRGKRZSA-N 323.393 -0.178 30 20 DBED C=C(CC)CNC(=O)C(=O)NCCS(=O)(=O)NC(C)C 1325570519 WTZZCIZBTCKDRV-UHFFFAOYSA-N 305.400 -0.487 30 20 DBED CC1(C)CN(C(=O)C(=O)N2CC[C@](F)(C#N)C2)C[C@@H](CO)O1 1325808449 GHDBWMWKUZMQBK-HZMBPMFUSA-N 313.329 -0.551 30 20 DBED CO[C@@H]1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1329328771 FXUAEJBFVWVUQL-JMSVASOKSA-N 309.366 -0.205 30 20 DBED C=CCN(C(=O)C(=O)N1CC[C@H](NC(N)=O)C1)[C@@H](C)COC 1329751157 VHDLMJXPMCCVNZ-QWRGUYRKSA-N 312.370 -0.695 30 20 DBED C=CCCOCCNC(=O)C(=O)N1C[C@@H]2CN(C(C)=O)C[C@@H]2C1 1331688349 YCWVLMNSIVXJEG-OKILXGFUSA-N 323.393 -0.368 30 20 DBED O=C1NC[C@@H]2CN(c3nnnn3CC#Cc3ccccc3)CCN12 1334339374 ADRPJNMEEJZNQV-CQSZACIVSA-N 323.360 -0.061 30 20 DBED C=C(C)CN(C)C(=O)C(=O)N1CCC([C@@H](O)C(=O)OC)CC1 1334709363 DNXGFQILQWUUDR-GFCCVEGCSA-N 312.366 -0.207 30 20 DBED N#CCCN1CCN(CC(=O)NCCCN2CCCC2=O)CC1 1336772197 BQWXTRUVQACOHJ-UHFFFAOYSA-N 321.425 -0.354 30 20 DBED C#CCOCCn1nnnc1N1CCO[C@H](CC(=O)OC)C1 1344582607 CPPUAGXCWYUEPO-LLVKDONJSA-N 309.326 -0.909 30 20 DBED C=CCOCCCC(=O)NCCc1nnc2n1CCNC2=O 1352829903 LPDJTKNWFXBQID-UHFFFAOYSA-N 307.354 -0.337 30 20 DBED C#CCOc1ccc(Cn2nnnc2N2CCNC(=O)C2)cc1 1355849109 KLGRGPBVNINKND-UHFFFAOYSA-N 312.333 -0.330 30 20 DBED CC[C@H](C)[C@](C)(O)CNC(=O)Cn1cc(C#N)c(O)nc1=O 1361970724 NQTIKGSSVSNARP-LKFCYVNXSA-N 308.338 -0.266 30 20 DBED N#Cc1ccc(N2C[C@H](C(=O)N3CC(C(N)=O)C3)CC2=O)cc1 1363285740 STMHPNACCATIGH-LLVKDONJSA-N 312.329 -0.145 30 20 DBED CNC(=O)NCC(=O)NC[C@@H](O)CNCc1ccc(C#N)cc1 1367580314 KKRTXIFDLPJWII-ZDUSSCGKSA-N 319.365 -0.946 30 20 DBED CCN(CCC#N)C(=O)CN1CC(CNC(=O)[C@H](C)OC)C1 1377956196 NEWCJICTPWCNJV-LBPRGKRZSA-N 310.398 -0.169 30 20 DBED C=C(Cl)CNC[C@@H](C)CNC(=O)CN1CCNC(=O)C1 1378584540 FLDBSPSRHQMOTA-SNVBAGLBSA-N 302.806 -0.487 30 20 DBED Cc1noc(C)c1CC(=O)NC[C@H](O)CNC(=O)[C@H](C)C#N 1392096821 YTLSNRZRYWGLEQ-KCJUWKMLSA-N 308.338 -0.413 30 20 DBED C[C@H](C#N)C(=O)N1CCC(O)(CNCC(=O)NCC2CC2)CC1 1393763367 ICAITWTUXHMRGU-GFCCVEGCSA-N 322.409 -0.385 30 20 DBED COCC1(C(=O)NC[C@H](O)CNC(=O)[C@@H](C)C#N)CCCC1 1410121969 JKJKZYUHLDRSDF-NWDGAFQWSA-N 311.382 -0.054 30 20 DBED C[C@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)CCn1cncn1 1410163034 JWJDIEVYPFXKJB-SNVBAGLBSA-N 315.337 -0.197 30 20 DBED Cn1c(=O)[nH]c(N[C@@H]2CCN(C(C)(C)C)C2=O)c(C#N)c1=O 1412894067 SHMPSTDCVADEOI-SECBINFHSA-N 305.338 -0.243 30 20 DBED CC(=O)NC1CCC(N(C)c2[nH]c(=O)n(C)c(=O)c2C#N)CC1 1413889284 XBQKPRJOMNXYIA-UHFFFAOYSA-N 319.365 -0.171 30 20 DBED COCCN(c1[nH]c(=O)n(C)c(=O)c1C#N)C1CCOCC1 1413913251 RXJSQJAGBHYEKP-UHFFFAOYSA-N 308.338 -0.423 30 20 DBED COCC(=O)NC[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)CCCO1 1426298498 RAAOUGBAIBKNGD-CYBMUJFWSA-N 320.349 -0.120 30 20 DBED C[C@@H](CNC(=O)c1c[nH]c(C#N)c1)NC(=O)CCn1cncn1 1428581470 LQWABUGXMVTCTL-JTQLQIEISA-N 315.337 -0.197 30 20 DBED C=C(Cl)CNC[C@H](O)CNC(=O)CNC(=O)C(C)(C)C 1439047549 SCRJTWWZIUFOAD-JTQLQIEISA-N 305.806 -0.032 30 20 DBED C[C@H](NCC1(O)CCN(C(=O)[C@H](C)C#N)CC1)c1nnnn1C 1440631048 XMNDZWVXWGNDEE-MNOVXSKESA-N 321.385 -0.626 30 20 DBED CC(=O)NCC(=O)N1CC2(CCCN(C(=O)[C@H](C)C#N)C2)C1 1450563733 RUNVOUXWGHIXES-LLVKDONJSA-N 306.366 -0.267 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](C)CNC(=O)CCS(C)(=O)=O 1451597979 IZWFRGWUCFDIBG-ZJUUUORDSA-N 303.384 -0.551 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)CCCN1CCCC1 1452397733 SSKIICQMYFQEKP-CHWSQXEVSA-N 310.398 -0.385 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNCc1cc2n(n1)CCCC2 1496955403 PKOMKHQNQUEHIN-SMDDNHRTSA-N 305.382 -0.054 30 20 DBED Cc1ocnc1C(=O)NC[C@]1(O)CCN(C(=O)[C@H](C)C#N)C1 1537312584 JREDRKBEUPMWHO-YMTOWFKASA-N 306.322 -0.164 30 20 DBED C=CCn1cc(C(=O)N(C)[C@H]2CCN(C[C@@H](O)COC)C2)nn1 1567924071 LJAXGIZFCGKNKD-QWHCGFSZSA-N 323.397 -0.382 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NCC1CN(Cc2cnn[nH]2)C1 1575038713 GXKFQKMWJUAUNU-AWEZNQCLSA-N 320.397 -0.176 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N[C@@H]1CC2(CNC2)n2ccnc21 1575912841 RMSZLAYKWOAJFV-GHMZBOCLSA-N 324.410 -0.305 30 20 DBED C#CCN(CC#C)c1nnc(-c2c[nH]nc2-c2nn[nH]n2)n1CC 1588349580 IAFXWNPDJKKCMG-UHFFFAOYSA-N 322.336 -0.059 30 20 DBED C#CC[C@H](NC(=O)C1CCC2(CC1)NC(=O)NC2=O)C(=O)O 1588405731 ISQWPGJFLJEYRG-PUUHTONNSA-N 307.306 -0.653 30 20 DBED C=CCNC(=O)CNCC1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)O)CC1 1588844847 XBFLHSOXOGUGGH-OLZOCXBDSA-N 323.393 -0.163 30 20 DBED C[C@]1(C(=O)O)CCN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)C1 1589187433 SEMUWTPRDPVSLW-KBPBESRZSA-N 309.322 -0.813 30 20 DBED C[C@@H](C(=O)N[C@@H](Cn1ccnc1)C(=O)O)n1cnc(C#N)n1 1589389132 WHMKUHZJNKEFFF-IUCAKERBSA-N 303.282 -0.823 30 20 DBED CC[C@H](O)CNN=C1C(=O)Nc2cc(-c3nn[nH]n3)ccc21 1590476038 DGTGEYSFTDAWJN-QMMMGPOBSA-N 301.310 -0.117 30 20 DBED O=C(N[C@H]1CCN(O)C1=O)c1cc(F)c(-c2nn[nH]n2)c(F)c1 1592988383 GOJINNKPVMRSBB-QMMMGPOBSA-N 324.247 -0.135 30 20 DBED C#CCN(CC(=O)O)C(=O)CNC(=O)COc1ccccc1 1602682661 SAGJRIDRAYYJCB-UHFFFAOYSA-N 304.302 -0.272 30 20 DBED C=CCS(=O)(=O)CCNC(=O)c1cccc(-c2nn[nH]n2)n1 1602869696 FDIAGKDCWINOMA-UHFFFAOYSA-N 322.350 -0.408 30 20 DBED C[C@@H]1CN(C(=O)Cn2cc(C(=O)O)cc(C#N)c2=O)CCO1 1604774786 CAEPMOWTEUJFJP-SECBINFHSA-N 305.290 -0.335 30 20 DBED C[C@@H]1[C@@H](NC(=O)CSCC#N)CCN1C(=O)c1cnn(C)n1 1701737123 NCUPFAKRGOQICD-ZJUUUORDSA-N 322.394 -0.209 30 20 DBED C#CCNC(=O)CN(C)CCCNC(=O)[C@H](C)[C@@H]1CCC(=O)N1 1752071216 UNNRCMMGMSWREQ-OLZOCXBDSA-N 322.409 -0.911 30 20 DBED C=CCNC(=O)CN1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1COCCO1 1752524358 PSDPQFNUDYFCGV-MJBXVCDLSA-N 323.393 -0.621 30 20 DBED C#CCNC(=O)CN1CCC[C@H](CNC(=O)[C@]2(C)CCOC2)C1 1752788456 JZUUPHDVNNLXQQ-RHSMWYFYSA-N 321.421 -0.009 30 20 DBED COCC#CCN[C@@H](C)CNC(=O)[C@@H](OC)c1cnn(C)c1 1752890452 OECPWJMJFSKZLM-JSGCOSHPSA-N 308.382 -0.148 30 20 DBED CN(CC(=O)NCC#N)[C@H]1CCCN(C(=O)c2cn[nH]c2)C1 1752988177 ZPKZVKBFDQUJMD-LBPRGKRZSA-N 304.354 -0.414 30 20 DBED C=CCNC(=O)[C@H](C)N[C@H](C)CCNC(=O)c1cn(C)nn1 1753004888 RJCUNZWIVNBDCN-MNOVXSKESA-N 308.386 -0.396 30 20 DBED C=CCNC(=O)CN1CC[C@@H](CNC(=O)CCc2cnn[nH]2)C1 1753136815 XZNULKHTXYDEAS-LBPRGKRZSA-N 320.397 -0.522 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC(CNC(=O)[C@@H](C)NC(=O)CC)C1 1753402670 AOOJIVSOAVPMKQ-VXGBXAGGSA-N 322.409 -0.913 30 20 DBED C#CCNC(=O)CN1CC(CNC(=O)[C@@H](OC)C2CCC2)C1 1753407595 PQPWXMZMUMMWBV-HNNXBMFYSA-N 307.394 -0.401 30 20 DBED C#CCNC(=O)CNC[C@@](C)(NC(=O)[C@H]1COCCO1)C1CC1 1753513358 NLTABJHMQLGOQY-CZUORRHYSA-N 323.393 -0.974 30 20 DBED CN(CCCNCC(=O)NCC#N)C(=O)C12CCCN1CCC2 1754382166 FOYNIVZVCUJYBW-UHFFFAOYSA-N 321.425 -0.307 30 20 DBED C#CCN1CCC[C@](CO)(NC(=O)CCc2nc(C)no2)C1 1754854928 DKXFDSFOGOHKOX-HNNXBMFYSA-N 306.366 -0.113 30 20 DBED N#CCNC1(CNC(=O)[C@@H]2CCc3nnnn3CC2)CCC1 1754986468 GXLIESVUZUUHJU-LLVKDONJSA-N 303.370 -0.222 30 20 DBED C#CCOCCC(=O)N[C@H]1CCCN(Cc2nnn(C)n2)CC1 1755023487 IXGJHDLEVKIIHO-ZDUSSCGKSA-N 320.397 -0.279 30 20 DBED C#CCN[C@@]1(CO)CCCN(C(=O)c2c[nH]c(C)cc2=O)C1 1755090825 QHJPCRHCSFCUKM-INIZCTEOSA-N 303.362 -0.127 30 20 DBED C=CCNC(=O)CN[C@H]1CN(C(=O)C2=COCCO2)C[C@H]1C 1755105631 JFXNNKCFHIBJMY-NEPJUHHUSA-N 309.366 -0.387 30 20 DBED C#CCN[C@@H]1CN(C(=O)CS(=O)(=O)N(CC)CC)C[C@@H]1C 1755116577 QPSDHZSSCBNKDL-QWHCGFSZSA-N 315.439 -0.272 30 20 DBED C=CCNC(=O)CN(C)[C@@H](C)CNC(=O)Cc1cncn1C 1755323237 HFEYFQLJZGLXLR-LBPRGKRZSA-N 307.398 -0.299 30 20 DBED CCc1ncoc1C(=O)N(C)C[C@H](C)NCC(=O)NCC#N 1755606936 VANDFCSUKQFIKK-JTQLQIEISA-N 307.354 -0.073 30 20 DBED N#CCN[C@@H](CO)CNC(=O)[C@H]1COc2cc(F)ccc2C1 1755629700 SLOXUYLMUZCTOE-DGCLKSJQSA-N 307.325 -0.033 30 20 DBED C=CCNC(=O)CNC[C@@H](O)CN(C)C(=O)c1nccc(C)n1 1755778271 UCFCQZDPXNMVPJ-GFCCVEGCSA-N 321.381 -0.890 30 20 DBED C=C(C)CCC(=O)N[C@H](C)[C@H](C)NC(=O)CN1CC(=O)NC1=O 1755974046 KOYMXBXWMNKJLK-MNOVXSKESA-N 324.381 -0.096 30 20 DBED CC(C)C#CC(=O)NC[C@@H](C)N(C)C(=O)C[C@H]1CC(=O)NC1=O 1756023921 FAYZCMKWSMGVGG-VXGBXAGGSA-N 321.377 -0.338 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H](CO)NC(=O)c1ccccc1O 1756520852 FPRBHKJFLDJHRH-NWDGAFQWSA-N 320.345 -0.363 30 20 DBED C#CCCCC(=O)N(C)C[C@@H](O)CNC(=O)[C@H]1CCCNC1=O 1756660285 DKUFTFSKGOMKHH-STQMWFEESA-N 323.393 -0.748 30 20 DBED C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](CC)NC(N)=O)C2 1801598236 ULAGWYILTCBONR-USZNOCQGSA-N 306.366 -0.295 30 20 DBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)COC)C2)C1 1839806161 CYJARSSLTRENEK-CJNGLKHVSA-N 324.377 -0.642 30 20 DBED CN(C)CC(=O)N1CCN(CC(=O)N[C@](C)(C#N)C2CC2)CC1 51762022 OOPQKKIOMBEQGZ-MRXNPFEDSA-N 321.425 -0.499 30 20 DBED C#CCCN1CCN(C(=O)CN2C(=O)NC(C)(C)C2=O)CC1 128451414 STUJHJJVWUTCRA-UHFFFAOYSA-N 306.366 -0.516 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCC[C@@H]2CCNC2)C1=O 262588644 XWCPWKGGDMNEHZ-JTQLQIEISA-N 308.338 -0.921 30 20 DBED CCOC(=O)CN(C)C(=O)Cn1ncc(C(=O)OCC)c1C#N 272407975 KTBYWOXFIKJHRX-UHFFFAOYSA-N 322.321 -0.047 30 20 DBED C=CCSCCNC(=O)C(=O)NC[C@@H]1CN(C)CCN1C 285522986 AIVOUWMXGJPQNX-GFCCVEGCSA-N 314.455 -0.616 30 20 DBED C#CCNC(=O)CCN1CC[C@@H](C(=O)OC)C[C@H]1C(=O)OC 294651969 QQIKJXUAFYBVKM-NEPJUHHUSA-N 310.350 -0.448 30 20 DBED Cn1c(N2CCC[C@H](CCC(N)=O)C2)c(C#N)c(=O)n(C)c1=O 301139152 BUCMYOSUJIZJCE-SNVBAGLBSA-N 319.365 -0.562 30 20 DBED N#Cc1ccc(NCC(=O)N2CCOC[C@@]23CCOC3)nc1 328611047 OEJCGUNFZYKLBU-HNNXBMFYSA-N 302.334 0.383 30 20 DBED O/C(CN1CCN(/C(O)=N/CCn2cncn2)CC1)=N\C1CC1 328749575 MJXFRGYHCOHNPQ-UHFFFAOYSA-N 321.385 -0.071 30 20 DBED CC1CC(/N=C(/O)N2CCN(C(=O)Cn3cnnn3)CC2)C1 330028731 PCBRFJCRLUUTCT-UHFFFAOYSA-N 307.358 -0.470 30 20 DBED CS(=O)(=O)N1CCCN(/C(O)=N/[C@@H]2[C@H]3COC[C@H]32)CC1 330030753 SCOZHKGZQBQKPN-URLYPYJESA-N 303.384 -0.488 30 20 DBED COCCN1CN(S(=O)(=O)N(C)C[C@H](C)C#N)CC1=O 330417883 PLKSGKLHPUVZOK-SNVBAGLBSA-N 304.372 -0.929 30 20 DBED CCN1CCC(N(C)S(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 336911238 IZWYEQWKSULNTC-ZDUSSCGKSA-N 316.427 -0.128 30 20 DBED CCN1CCN(S(=O)(=O)N(CCC#N)CCOC)CC1=O 336948535 QPSJNXOBTVQMPU-UHFFFAOYSA-N 318.399 -0.743 30 20 DBED CCN(CCC#N)S(=O)(=O)NCCN1CCOC[C@@H]1C 337086668 FHIYHMLHVTYPMT-LBPRGKRZSA-N 304.416 -0.223 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N1C[C@H](C)O[C@H](CO)C1 337167987 CSRXXGAXYVUDDC-WOPDTQHZSA-N 305.400 -0.206 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)NCc1nnnn1CC1CC1 337754964 BCDPILMSQMGIDB-VIFPVBQESA-N 313.387 -0.349 30 20 DBED C[C@H](C(=O)NCC(=O)NCC#N)n1nnc(-c2ccccc2)n1 344181061 OGPYHBOGFYWQFP-SNVBAGLBSA-N 313.321 -0.343 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O 346686298 KISXLIKGNPSTNX-FIQHERPVSA-N 308.382 -0.028 30 20 DBED C[C@@H](C#N)N(C)S(=O)(=O)c1ccccc1S(N)(=O)=O 349447823 JKOQSMBCYZGMFP-QMMMGPOBSA-N 303.365 -0.133 30 20 DBED C=CCOCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 354061556 QBGIMSBIWBYCKO-LBPRGKRZSA-N 302.396 -0.480 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N[C@H]1CCOC[C@@H]1OCC 355260943 ZJTXTHHXOZWMPR-STQMWFEESA-N 314.382 -0.042 30 20 DBED CCN(CC(N)=O)C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 355826705 CPAJEKIJTZQJSG-UHFFFAOYSA-N 323.374 -0.193 30 20 DBED C=CCCn1cc(C(=O)N2CCNC(=O)[C@@H]2CC(=O)OC)nn1 424582875 KVZRNFXVRWRXPK-NSHDSACASA-N 321.337 -0.642 30 20 DBED CN(C)C(=O)COC1CN(S(=O)(=O)CCCCC#N)C1 443479998 ZPNIKMLNGGZESJ-UHFFFAOYSA-N 303.384 -0.201 30 20 DBED C#CCN1CCN(C(=O)CN2CCN(CC(C)C)C(=O)C2)CC1 491043728 DKEQOLTXINVWLJ-UHFFFAOYSA-N 320.437 -0.436 30 20 DBED N#Cc1cncc(S(=O)(=O)N2CCN3C(=O)OC[C@H]3C2)c1 497228038 QFIGPWBMELZKCA-SNVBAGLBSA-N 308.319 -0.222 30 20 DBED Cn1c(=O)c2cc(C(=O)NC3(C#N)CC3)n(C)c2n(C)c1=O 523159299 VDKDZEWHROZVBW-UHFFFAOYSA-N 301.306 -0.638 30 20 DBED COc1cncc(NC(=O)C(=O)N(CCC#N)CC2CC2)n1 565078167 UUVXUCSKMDXZRB-UHFFFAOYSA-N 303.322 0.576 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@@H](CC(=O)O)OC 567170935 QFGSREZAONHBIS-NXEZZACHSA-N 307.372 -0.208 30 20 DBED Cn1nnc(CNS(=O)(=O)Cc2cc(C#N)ccc2F)n1 567559051 XXNYIMPCZACCPY-UHFFFAOYSA-N 310.314 -0.160 30 20 DBED Cn1cc(C[C@@H]2CCN(C(=O)NCC(=O)NCC#N)C2)cn1 571909813 OFIKTUGODBSOKR-NSHDSACASA-N 304.354 -0.366 30 20 DBED CC(C)(C#N)NS(=O)(=O)c1ccccc1S(N)(=O)=O 576173393 OMNSTHGJWVFCGE-UHFFFAOYSA-N 303.365 -0.086 30 20 DBED N#Cc1ccc(S(=O)(=O)CCN[C@H]2CC[C@@H](C(N)=O)C2)nc1 582960387 PFFGMWOHORHZFX-NEPJUHHUSA-N 322.390 -0.029 30 20 DBED CS(=O)(=O)N1CCN(CCNC(=O)CCCC#N)CC1 589693136 ONCYYQVKJFUZQS-UHFFFAOYSA-N 302.400 -0.626 30 20 DBED N#CC[C@@]1(O)CCN(S(=O)(=O)c2ccc(C(N)=O)cc2)C1 592074352 VXXLBQINPFVDDX-CYBMUJFWSA-N 309.347 -0.175 30 20 DBED C[C@H](C(=O)N(C)CC(=O)N1CC[C@](O)(CC#N)C1)n1cccn1 592843803 UQOPAVKNXQGTPK-IUODEOHRSA-N 319.365 -0.220 30 20 DBED N#CCNC(=O)CNC(=O)NC[C@@H]1CCCN1CC(F)F 599150311 KSRNBLZDTAWZPA-VIFPVBQESA-N 303.313 -0.345 30 20 DBED CSCC[C@H](NS(=O)(=O)N(C)C[C@H](C)C#N)C(N)=O 599405430 SUTMNYNOZYWIQQ-BDAKNGLRSA-N 308.429 -0.481 30 20 DBED Cc1c(C#N)c(=O)n(CC(=O)N2CCC[C@@H](C)C2)c(=O)n1C 603358675 LFOSDPCKKPHFHC-SNVBAGLBSA-N 304.350 -0.014 30 20 DBED C=CC[C@@H](C)NC(=O)NCCN1CCN(S(C)(=O)=O)CC1 604898007 WEGJNBPUCJRZOG-GFCCVEGCSA-N 318.443 -0.173 30 20 DBED C#CCOc1cccc(NC(=O)C(=O)NCCOCCO)c1 737232693 FTMNRBPHEMMSOD-UHFFFAOYSA-N 306.318 -0.238 30 20 DBED N#Cc1ccc([C@H](C(=O)O)N2CC[C@]3(C2)NC(=O)NC3=O)cc1 739103637 CDSPHROITIEGNK-IAQYHMDHSA-N 314.301 -0.032 30 20 DBED CNC(=O)CNC(=S)NN=C1CCCC[C@@H]1S(C)(=O)=O 741465128 YNNZQFRMEFBIMI-VIFPVBQESA-N 320.440 -0.460 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H](O)CC(C)C)C1=O 762492575 YGJBCZJMEUQBIN-SNVBAGLBSA-N 311.338 -0.514 30 20 DBED C[C@@H]1CC(=NC(=O)CCc2nc3c(O)nc(=O)n(C)c3[nH]2)NO1 763262051 WHWSMHLLBCJFGY-ZCFIWIBFSA-N 320.309 -0.467 30 20 DBED CNC(=O)COC(=O)CNS(=O)(=O)c1ccccc1C#N 769199454 KBDXEDYXVDFOBW-UHFFFAOYSA-N 311.319 -0.874 30 20 DBED C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)OC(C)(C)C#N 779224919 GBRVHSAZQZLEEB-MRVPVSSYSA-N 300.340 -0.068 30 20 DBED C[C@H](OC(=O)CN1C(=O)CCC1=O)C(=O)NC1(C#N)CCC1 787565535 RMNQVGYGZLYFHU-VIFPVBQESA-N 307.306 -0.370 30 20 DBED C#CCOCCC(=O)O[C@H](C)C(=O)NCCN1CCOCC1 805970170 CJSQADLHNFLLHY-CYBMUJFWSA-N 312.366 -0.594 30 20 DBED CON=CC(=O)N1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 811530883 SIYYIGJWBUCSPG-JTQLQIEISA-N 303.384 -0.061 30 20 DBED CCN(C[C@H](C)C#N)C(=O)COC(=O)[C@@H]1CCS(=O)(=O)N1 845371023 SSKCAZHEVNSCCE-ZJUUUORDSA-N 317.367 -0.771 30 20 DBED CCONC(=O)CNC(=O)C(=O)Nc1cccc(C#N)c1C 846133642 WVSUQFBOJGDIPW-UHFFFAOYSA-N 304.306 -0.011 30 20 DBED C=C(C)CONC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 846539874 PACCVYQVCSUAEZ-ZDUSSCGKSA-N 311.382 -0.209 30 20 DBED C#CCN(C(=O)NC[C@H](C)C(=O)O)[C@@H]1CCS(=O)(=O)C1 848584650 DOUZXTYGFXZOKW-VHSXEESVSA-N 302.352 -0.461 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N(C)C[C@H]1COCCO1 875598178 RWHBQNKJDRUOCT-OLZOCXBDSA-N 312.366 -0.595 30 20 DBED C#CCN(CC)CC(=O)NC1CCN(S(C)(=O)=O)CC1 878166992 LDUISDURZWSSBP-UHFFFAOYSA-N 301.412 -0.518 30 20 DBED CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1C[C@H]2C(=O)N(C)C(=O)[C@H]2C1 879532682 VNWYQIZTGQWGPK-OVZMXSCWSA-N 320.393 -0.024 30 20 DBED C#CC1(O)CN(C(=O)[C@@H](CO)NC(=O)OCc2ccccc2)C1 890527602 WHXVCNLDVSTKEO-CYBMUJFWSA-N 318.329 -0.520 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(C[C@@](C)(O)C(F)F)c1=O 905903994 JJIICSMILUHIOL-CYBMUJFWSA-N 317.292 -0.440 30 20 DBED CC(C)N1CCN(CCC(=O)N[C@H]2CCCN(O)C2=O)CC1 908407844 XFWSCNMKGAKTMH-ZDUSSCGKSA-N 312.414 -0.101 30 20 DBED CS(=O)(=O)N1CC(CNC(=O)N2CCC[C@H](C#N)C2)C1 922089650 GRKCKNKJAHENEI-SNVBAGLBSA-N 300.384 -0.177 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](N(C)C(=O)c2nccnc2N)C1 939394649 AKJDBSYHSHFXAO-UWVGGRQHSA-N 302.338 -0.109 30 20 DBED N#Cc1cc(C(=O)N2CC[C@@H](NC(=O)[C@H]3COCCO3)C2)c[nH]1 939504749 NMMXSNPIGRPXAB-DGCLKSJQSA-N 318.333 -0.368 30 20 DBED CC#CCN1CC[C@H](NC(=O)CN2CCN(C)C(=O)C2)[C@H](C)C1 942201446 WARLPMISHRUNHU-CABCVRRESA-N 320.437 -0.390 30 20 DBED Cc1nnccc1C(=O)NC[C@@H]1CN(C(=O)[C@@H](C)C#N)CCO1 944691602 RKLGIJFFQKHLBR-CMPLNLGQSA-N 317.349 -0.098 30 20 DBED C=CCN1CC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C[C@@H]1C 948069000 AFQGBVBNLOGRKZ-WDEREUQCSA-N 306.370 -0.468 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]1CNC(=O)c1nnn(C(C)(C)C)n1 950358386 FHAXVEQRJLKOSJ-VHSXEESVSA-N 319.369 -0.082 30 20 DBED N#CCN1C[C@H](O)[C@H](CNC(=O)c2cc3c([nH]2)CCOC3)C1 958130175 CNNKPAQXRMOHBF-RISCZKNCSA-N 304.350 -0.367 30 20 DBED C#CCCN1C[C@@H](O)[C@@H](CNC(=O)c2ccc(C(N)=O)o2)C1 958240009 XCYUFSXFWDTVQR-WDEREUQCSA-N 305.334 -0.576 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](CNC(=O)c2c[nH]c(C(N)=O)c2)C1 958673686 VEVLSPWIBZIDCR-YPMHNXCESA-N 306.366 -0.288 30 20 DBED C=C(C)CN1C[C@H](CNC(=O)c2cccc(C(N)=O)n2)[C@@H](O)C1 958736140 JNYMWUXPABWYQE-FZMZJTMJSA-N 318.377 -0.221 30 20 DBED C[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1CNC(=O)c1c[nH]c(C#N)c1 959408464 DOJTYPJROSCIBW-MWLCHTKSSA-N 317.349 -0.414 30 20 DBED C=C(C)CCN1C[C@H]2[C@H](NC(=O)Cn3cnc(C(N)=O)n3)[C@H]2C1 959965181 ITNKNLGPZVSKCV-PJXYFTJBSA-N 318.381 -0.610 30 20 DBED COc1cc(OC)nc(C(=O)NC2[C@H]3CN(CC#N)C[C@H]23)n1 960567678 MLOBHODMSKORBX-IUCAKERBSA-N 303.322 -0.323 30 20 DBED C=CCN1CC[C@H](N2C[C@H]3[C@H](NC(=O)c4cnn[nH]4)[C@H]3C2)C1=O 960742913 NGPZVOWECJWODS-JULQROHOSA-N 316.365 -0.748 30 20 DBED C=C1CCC(C(=O)N2CCO[C@@H]3CN(C(=O)C(N)=O)C[C@@H]32)CC1 960897568 QRGLZXNXMKEEHU-QWHCGFSZSA-N 321.377 -0.344 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2COCCN2C(=O)CC)nn1 964196531 TVXVGSRLLWKQOK-LLVKDONJSA-N 307.354 -0.169 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)c1csc(O)n1 964303047 FEBOLYBCWYDKND-IUCAKERBSA-N 324.362 -0.034 30 20 DBED C#CCCN1CC[C@@H](C)[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)C1 968537704 DREXTALOJBOSOX-OLZOCXBDSA-N 320.393 -0.270 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccon2)C[C@@H]1O 970701825 FMEBJLJBECCSNC-XEZLXBQYSA-N 321.333 -0.433 30 20 DBED Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)c(O)n1 970942628 MCHRUCCJNWOIRY-AXTRIDKLSA-N 318.333 -0.443 30 20 DBED O=C1NCC[C@@H]1C(=O)N1CC[C@@H]2CN(C(=O)C#CC3CC3)[C@@H]2C1 972089747 RCMHHYSYDAZEOS-HZSPNIEDSA-N 315.373 -0.405 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)c3n[nH]c(C)c3O)C2)C1 972346694 OTCHZHSQOACBPL-HNNXBMFYSA-N 304.350 -0.026 30 20 DBED CC1(C)CN(CC#N)C[C@@H]1NC(=O)[C@@H]1CCc2nnc(O)n2C1 974744782 VUDJCBDWZAAPCR-MNOVXSKESA-N 318.381 -0.104 30 20 DBED C=C1CC(C)(C(=O)N2C[C@H]3[C@H](NC(=O)c4nnn(C)n4)[C@H]3C2)C1 976999327 QTORKUATQWBKLQ-URLYPYJESA-N 316.365 -0.247 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)[C@@H]3CCN(C)C3=O)[C@H]2C1 977001099 KLTZMPUSUSLJMZ-LVEVGFFFSA-N 304.350 -0.803 30 20 DBED C[C@@H](NCc1cccc(C#N)c1)[C@@H]1CN(C(=O)C(N)=O)CCO1 979357606 KWZPROOGWJHZPV-RISCZKNCSA-N 316.361 -0.251 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](CNC(=O)c2ccc(C(N)=O)[nH]2)C1 983210855 FXTQNULSSRGOCB-ZJUUUORDSA-N 317.349 -0.148 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](CNC(=O)c2cc(C(N)=O)c[nH]2)C1 983212867 SBUXYEJWLOCZAQ-ZJUUUORDSA-N 317.349 -0.148 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](CNC(=O)c2cc(=O)n(C)cn2)C1 983215325 LAJRGDKVDADOLZ-QWRGUYRKSA-N 317.349 -0.482 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CCC[C@H](NC(=O)C(N)=O)C2)[nH]1 983574762 AMQJKPYVOIJFFU-BDAKNGLRSA-N 303.322 -0.471 30 20 DBED C[C@H]1C[C@H](NCC(=O)N2CCOCC2)CN1C(=O)C#CC1CC1 988824616 IOAUSUQFQTYTJH-ZFWWWQNUSA-N 319.405 -0.162 30 20 DBED C[C@H]1CCCN(C(=O)C(=O)NC2CN(C(=O)[C@@H](C)C#N)C2)C1 991636816 UGPGLQMKYCDXFU-QWRGUYRKSA-N 306.366 -0.268 30 20 DBED C#CCN[C@H]1CN(C(=O)[C@H]2CC(=O)N(CCOC)C2)CC1(C)C 995868952 FPVQISBCMGYYOC-KBPBESRZSA-N 321.421 -0.059 30 20 DBED C#Cc1cncc(C(=O)NC2CN(C(=O)CCc3nc[nH]n3)C2)c1 999304574 MXIXJPDUZUOQQJ-UHFFFAOYSA-N 324.344 -0.246 30 20 DBED C[C@@H]1CCN(C(=O)CC(N)=O)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 1004736424 PIGKZSWDSVRHAF-BXKDBHETSA-N 317.349 -0.271 30 20 DBED C[C@H](NC(=O)[C@H]1CCC(=O)N1)C1CN(C(=O)C#CC2CC2)C1 1005810249 KHZFVNXSQSZTEH-GXFFZTMASA-N 303.362 -0.359 30 20 DBED C[C@@H](C#N)C(=O)N1CC([C@@H](C)NC(=O)c2ccc(C(N)=O)[nH]2)C1 1006875078 AOKLIYDUITXIPE-DTWKUNHWSA-N 317.349 -0.150 30 20 DBED CCN1CCOC[C@H]1C(=O)N1CCN(C(=O)[C@@H](C)C#N)CC1 1011355079 GWNAFRHQZWIXFE-STQMWFEESA-N 308.382 -0.462 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCN(C(=O)COC)[C@H]2C)nn1 1011388133 AAAZXTUFZCIRIJ-WDEREUQCSA-N 307.354 -0.170 30 20 DBED C#CCN1CC[C@H](NC(=O)c2ccc(OCC(N)=O)cc2)C1 1015172513 APAXRJQUQPMYFE-ZDUSSCGKSA-N 301.346 -0.012 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCN(C(=O)[C@H]3CN(C)CCO3)C2)C1 1019362030 YNQTXVLCLTUPFI-QWHCGFSZSA-N 320.393 -0.462 30 20 DBED O=C(CN1CCCC1)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1023793221 BWODWPYJZFVEKI-ZIAGYGMSSA-N 305.378 -0.817 30 20 DBED CN1CCC(C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2O)CC1 1024414399 LXYNZQKEUUAXBP-HUUCEWRRSA-N 319.405 -0.571 30 20 DBED C=CCN1CCCC[C@H]1CNC(=O)c1cn(CC(N)=O)nn1 1024813227 WTUFEDYZUUFWCN-NSHDSACASA-N 306.370 -0.466 30 20 DBED C#CCN1CCC[C@H]([C@H](C)NC(=O)c2nnc(O)nc2O)C1 1025474876 PHWKHDXRTHSRIG-UWVGGRQHSA-N 305.338 -0.254 30 20 DBED N#CCN[C@@H]1CC[C@@H]2CN(C(=O)CCn3cnccc3=O)C[C@@H]21 1026389841 IQKLXXMENVXUHC-HZSPNIEDSA-N 315.377 -0.016 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)c3n[nH]cc3F)C2)C1=O 1030907811 AAPKQDLOTYLSAG-NSHDSACASA-N 307.329 -0.250 30 20 DBED C=C(C)CN1CC(NC(=O)CN2CCS(=O)(=O)CC2)C1 1031381409 ZWZHVGMWXHTCIT-UHFFFAOYSA-N 301.412 -0.907 30 20 DBED C[C@@H](C(N)=O)N1CCO[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1 1035331178 HJWRVBDOFSHDMS-GXSJLCMTSA-N 305.338 -0.809 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)c2cnc3n2CCOC3)C1 1035412222 NDXYNNNZDXLKIM-LBPRGKRZSA-N 304.350 -0.523 30 20 DBED N#CCN1CCO[C@H](CNC(=O)[C@@H]2CCc3nncn3CC2)C1 1035446510 LNJRVHFJVHDWSW-CHWSQXEVSA-N 318.381 -0.429 30 20 DBED CC#CCN1CCO[C@H](CNC(=O)[C@H]2CN(CC)CCO2)C1 1035606751 HFYZNEYFATZBQJ-HUUCEWRRSA-N 309.410 -0.453 30 20 DBED CCOc1cnc(C(=O)NC[C@H]2CN(CC#N)CCO2)cn1 1035627198 KIVSYUVVGQYAJG-NSHDSACASA-N 305.338 -0.171 30 20 DBED Cn1cnc2nc(O)cc(C(=O)N[C@@H]3[C@H]4C[C@H]3N(CC#N)C4)c21 1037430885 XNVKYJXFTNUNCK-MKPLZMMCSA-N 312.333 0.000 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)C2(CN(C)C)CC2)C1 1040715577 YYGAAMWGOMTTBA-WBMJQRKESA-N 322.409 -0.433 30 20 DBED C#CCN1CC[C@H]2CCN(C(=O)c3cn(C)c(=O)nc3O)C[C@@H]21 1042355404 YDVGSHRWTNDZML-AAEUAGOBSA-N 316.361 -0.345 30 20 DBED C[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1NC(=O)[C@H]1CCNC1=O 1042400130 JHGHBSXTTYAKSH-ADEWGFFLSA-N 314.349 -0.575 30 20 DBED C#CCCCCC(=O)NCC1(O)CN(C(=O)c2cnn(C)n2)C1 1042655397 NHXVXYCTFXHQEO-UHFFFAOYSA-N 319.365 -0.688 30 20 DBED CO[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1NC(=O)c1cnn[nH]1 1043025361 OQVAZZLQWNIOFS-NXEZZACHSA-N 314.309 -0.900 30 20 DBED C[C@@H]1CN(C(=O)[C@@H]2COC(=O)N2)C[C@H]1Nc1cnc(C#N)cn1 1043154551 BSJFPYGKYAAEMK-IEBDPFPHSA-N 316.321 -0.285 30 20 DBED Cc1ccc(C(=O)N2CC(O)(CNC(=O)[C@H](C)C#N)C2)c(O)n1 1045554586 GKRZPZFDAQWMQT-SECBINFHSA-N 318.333 -0.442 30 20 DBED C=C[C@](C)(CC)C(=O)NCC1(O)CN(C(=O)c2nc[nH]n2)C1 1045778523 ZOIHEXFEJYENCK-CYBMUJFWSA-N 307.354 -0.290 30 20 DBED C#CCN1[C@H]2CC[C@H]1CN(C(=O)CN1C(=O)CNC1=O)CC2 1045887799 NXFOSPSXSCFSLO-RYUDHWBXSA-N 304.350 -0.763 30 20 DBED N#CCN1CC[C@@H](N2CCN(C(=O)CN3CCCC3)CC2)C1 1046082257 PPXPLGCCIVSJDK-OAHLLOKOSA-N 305.426 -0.176 30 20 DBED C#CCCCC(=O)N(C)[C@H]1CN(C(=O)c2ccncn2)C[C@@H]1O 1048758086 WYJUSFLYGJITSZ-KBPBESRZSA-N 316.361 -0.076 30 20 DBED CNC(=O)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C#CC(C)(C)C)C1 1048832751 VURIDTCJAHNMNU-RYUDHWBXSA-N 323.393 -0.798 30 20 DBED CCn1nncc1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)C#N)C1 1049393510 ALAKIBDKIKYSDG-USWWRNFRSA-N 320.353 -0.899 30 20 DBED C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)CC[C@H]1NC(=O)NC1=O 1049883354 IUFBCFHXPGKCAD-JHJVBQTASA-N 318.377 -0.327 30 20 DBED CC#CCN1CCC2(CC1)CN(C(=O)CN1CC(=O)NC1=O)C2 1050701471 IDHORCGKSNTPFS-UHFFFAOYSA-N 318.377 -0.514 30 20 DBED C#Cc1cncc(C(=O)NC[C@@H]2COCCN2C[C@@H](C)O)c1 1051106519 MZUBGYXKHWPBAB-IUODEOHRSA-N 303.362 -0.126 30 20 DBED Cc1ccn(CC(=O)N2CC[C@@H](N3CCN(CC#N)CC3)C2)n1 1052086586 VNTFENQBKOUMMC-OAHLLOKOSA-N 316.409 -0.066 30 20 DBED C[C@H](C#N)C(=O)N1CCOC2(C1)CN([C@@H]1CCN(C)C1=O)C2 1053191090 LTUHCKJWDSKPBX-VXGBXAGGSA-N 306.366 -0.710 30 20 DBED N#Cc1cc(C(=O)N2CCOC3(CN(CCCO)C3)C2)c[nH]1 1053226941 DSXSKYHVWSONPR-UHFFFAOYSA-N 304.350 -0.204 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)c1cnn(C)c1OC)CCO2 1053519952 FILOVHKHAVSBDK-UHFFFAOYSA-N 318.377 -0.021 30 20 DBED CC(=O)N1CC[C@](C)(C(=O)N[C@@H]2COC3(C2)CN(CC#N)C3)C1 1053976871 JCFBREKXCIFJTA-ZFWWWQNUSA-N 320.393 -0.272 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)[C@H]3CN(CC)CCO3)CO2)C1 1054014400 NTBZSQMENMJCHT-HUUCEWRRSA-N 321.421 -0.310 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)[C@H]3CCCN3C(C)=O)CO2)C1 1054019219 QDZLQYYZZDMWSN-HUUCEWRRSA-N 319.405 -0.020 30 20 DBED C[C@@H]1CN(C(=O)CN2C(=O)CC(C)(C)C2=O)C[C@@H]1NCC#N 1054664973 ZIZLWVFZIHQDSS-MNOVXSKESA-N 306.366 -0.268 30 20 DBED COCC(=O)N[C@@]1(CO)CCCN(C(=O)CSCC#N)C1 1055705378 LCEWIOWCFPYKKD-ZDUSSCGKSA-N 315.395 -0.641 30 20 DBED CCn1nncc1C(=O)N[C@H]1[C@@H]2CN(c3nccnc3C#N)C[C@@H]21 1056204089 WYIMEFKJMGIEIX-IWIIMEHWSA-N 324.348 -0.176 30 20 DBED Cc1nonc1C(=O)NC1[C@H]2CN(c3cnc(C#N)cn3)C[C@H]12 1056240883 BUOXZPKBRHILNX-UWVGGRQHSA-N 311.305 -0.096 30 20 DBED N#Cc1ccc(N2C[C@@H]3C(NC(=O)Cn4nccn4)[C@H]3C2)nn1 1056316438 WYZVQODOVUHJCT-QWRGUYRKSA-N 310.321 -0.809 30 20 DBED CC(=O)NCC(=O)N1CCC[C@H]2CN(C(=O)[C@H](C)C#N)C[C@H]21 1056585977 CLGDVZOSWJRUJM-KGYLQXTDSA-N 306.366 -0.268 30 20 DBED CN1C[C@@H](C(=O)N2CC[C@@H](Nc3nccnc3C#N)C2)CC1=O 1056805268 OMVBYYUBOPSDML-WDEREUQCSA-N 314.349 -0.161 30 20 DBED CN(c1nccnc1C#N)[C@@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 1056910417 TZISPRMISYMJJN-KOLCDFICSA-N 316.321 -0.506 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)[C@@H](C)OCC 1057058341 QCUIOLZNCRDUAD-GFCCVEGCSA-N 302.371 -0.449 30 20 DBED C#CCOCCC(=O)N(CCO)CCNC(=O)/C=C/C1CC1 1057580254 AWLFAVUCPXNEJV-AATRIKPKSA-N 308.378 -0.070 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)[C@H](C)NC(=O)CC 1057847134 AFIBESAZDDRRNO-LBPRGKRZSA-N 313.398 -0.196 30 20 DBED CCN(C)C(C)(C)C(=O)NCCN(CCO)C(=O)[C@H](C)C#N 1058658448 CIQQOMKLGJFCBP-GFCCVEGCSA-N 312.414 -0.187 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1C[C@@H](NC(=O)[C@@H]2CCNC(=O)C2)C1 1059597166 SUJZUJNQTQPJPH-RTXFEEFZSA-N 313.361 -0.040 30 20 DBED Cc1cc(C#N)nc(N[C@H]2C[C@@H](NC(=O)[C@H]3CCNC3=O)C2)n1 1059781560 DDZOQRMWEAAJCI-UMNHJUIQSA-N 314.349 -0.148 30 20 DBED C=CCO[C@H](C)C(=O)N1CC2(CCN(C(=O)CC(N)=O)CC2)C1 1061035305 JFWWQMNCZQBTAD-GFCCVEGCSA-N 323.393 -0.096 30 20 DBED N#Cc1cnc(N2CCC[C@@H]2CNC(=O)[C@@H]2CCNC2=O)cn1 1061422349 GPZQKYGRXHVVSX-VXGBXAGGSA-N 314.349 -0.431 30 20 DBED CCNC(=O)CC(=O)NC[C@H]1COCCN1C(=O)C#CC(C)C 1061518562 PCLFNNADSOWHGO-ZDUSSCGKSA-N 323.393 -0.484 30 20 DBED C=CCCCC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1CNC(=O)N1 1061831848 ZIADXGVBRYFKRK-RYUDHWBXSA-N 324.381 -0.632 30 20 DBED C#CCOCCC(=O)N1CCOC[C@H]1CNC(=O)[C@@H](C)C#N 1061852960 OVEPENAFIXDOTM-QWHCGFSZSA-N 307.350 -0.470 30 20 DBED CS(=O)(=O)CC(=O)N1C[C@@H]2C[C@H]1CN2c1ncccc1C#N 1062448017 OAJKWGCSNKVUAO-RYUDHWBXSA-N 320.374 -0.213 30 20 DBED CN(C(=O)[C@@H]1COCCO1)[C@@H]1CCN(c2ccnc(C#N)n2)C1 1062887021 SAAHSLOXLLBYIS-NEPJUHHUSA-N 317.349 -0.199 30 20 DBED CN(C(=O)[C@H]1COC(=O)N1)[C@@H]1CCN(c2ccc(C#N)nn2)C1 1062927938 BLJANWUJXQNVCM-GHMZBOCLSA-N 316.321 -0.506 30 20 DBED Cc1cc(C#N)nc(N2CCCC[C@@H](NC(=O)C(N)=O)C2)n1 1063225799 GXKZNKWDYGADQM-SNVBAGLBSA-N 302.338 -0.383 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H]1CN(C(=O)C=C(C)C)CCO1 1064802028 HXMFHVVJRSXEDD-CYBMUJFWSA-N 321.377 -0.564 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CN(C(=O)Cc2ccon2)CCO1 1064997186 QHVSKLRQJPZBPC-CMPLNLGQSA-N 306.322 -0.280 30 20 DBED C#CCCCC(=O)N1CCO[C@@H](CNC(=O)CNC(C)=O)C1 1065099009 BWRDCUDOWLRPPV-ZDUSSCGKSA-N 309.366 -0.730 30 20 DBED COc1nc(C(=O)N2CCO[C@H](CNC(=O)[C@H](C)C#N)C2)co1 1065381031 ZACCTECDGXDHTJ-NXEZZACHSA-N 322.321 -0.200 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@H](CNC(=O)Cc2ccn(C)n2)C1 1065555928 BMZMHVUFDMDXEC-DGCLKSJQSA-N 319.365 -0.534 30 20 DBED N#Cc1cnc(N2CC[C@@H]3[C@H]2CCCN3C(=O)CC(N)=O)cn1 1066126295 DVTMDHWIOKWCSO-VXGBXAGGSA-N 314.349 -0.207 30 20 DBED N#Cc1cnc(N2C[C@H](O)[C@H](CNC(=O)c3cocn3)C2)cn1 1067653511 LGMNKVSTOBLUAY-SKDRFNHKSA-N 314.305 -0.437 30 20 DBED Cn1nnc(C(=O)N[C@H]2C[C@H](CNc3cncc(C#N)n3)C2)n1 1068567220 XAQCWCJKZOUORH-KYZUINATSA-N 313.325 -0.508 30 20 DBED C=CC(C)(C)C(=O)N1CC2(C[C@H](NC(=O)CNC(C)=O)CO2)C1 1068666108 KHCXVNRYAUMFON-LBPRGKRZSA-N 323.393 -0.179 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1COC2(C1)CN(C(=O)Cn1cccn1)C2 1069002893 IPILPSIVPROHHY-NEPJUHHUSA-N 317.349 -0.471 30 20 DBED C=CCOCC(=O)N1CCC[C@@]2(CCN(C(=O)C(N)=O)C2)C1 1069731048 UNFYDTVPZPUOPP-OAHLLOKOSA-N 309.366 -0.485 30 20 DBED C#CCOCCC(=O)N1CC[C@@]2(CCCN(C(=O)C(N)=O)C2)C1 1069776837 SUUIEQXLEUSABI-INIZCTEOSA-N 321.377 -0.647 30 20 DBED CN1CCCC[C@@H]1C(=O)N1C[C@H](n2ccnn2)[C@H](NCC#N)C1 1070219867 OHXMZTKXGHKYMB-MCIONIFRSA-N 317.397 -0.373 30 20 DBED C#CCN[C@@H]1CN(C(=O)C2=COCCO2)C[C@H]1c1cn(C)cn1 1070465149 SPQZTIQOUJNRJK-GXTWGEPZSA-N 316.361 -0.175 30 20 DBED C=CCOCC(=O)N1CCC[C@@H](NC(=O)c2nccnc2N)C1 1070553506 RYJQLFLQQSVQIA-LLVKDONJSA-N 319.365 -0.018 30 20 DBED C#CCN[C@@H]1CN(C(=O)Cc2nc[nH]n2)C[C@H]1c1cncn1C 1070709310 AJHROHXYTDMWFP-VXGBXAGGSA-N 313.365 -0.702 30 20 DBED CN1CC[C@H](C(=O)N2CCC[C@@H](NC(=O)C#CC3CC3)C2)C1=O 1071124149 DVAPAMXPPNXNHK-KGLIPLIRSA-N 317.389 -0.015 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(C(=O)c2ccco2)C[C@@H]1C 1071489456 XBTFICHGRCWNBS-NWDGAFQWSA-N 317.345 -0.004 30 20 DBED C=CCN1CCC2(C1)CN(C(=O)[C@H]1CN(C(C)=O)CCO1)C2 1073157996 GOJKEYNZHFQJFE-CQSZACIVSA-N 307.394 -0.046 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CCN(C(=O)Cc2ccon2)CC1 1074524092 GUXKKJDJUBFVEU-LLVKDONJSA-N 320.349 -0.154 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)C[C@@](C)(O)C=C 1076218991 OQZUCKWCFOOVSJ-LRDDRELGSA-N 323.393 -0.536 30 20 DBED C[C@@H](CCNC(=O)C#CC1CC1)NC(=O)C1CS(=O)(=O)C1 1076429062 WHDUOSALBNPCQI-JTQLQIEISA-N 312.391 -0.545 30 20 DBED C#CCOCCC(=O)NCC[C@H](C)NC(=O)c1cncnc1O 1076505968 HRWURFIZXPNIGU-NSHDSACASA-N 320.349 -0.153 30 20 DBED C#CCO[C@@H](C)C(=O)NCC[C@H](C)NC(=O)Cc1nonc1C 1076509391 WKMPDRJHZIVVEW-JQWIXIFHSA-N 322.365 -0.030 30 20 DBED CC(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CCN(CC#N)CC1 1079163375 BEBOTXCODZXKQD-KBPBESRZSA-N 305.382 -0.011 30 20 DBED C=CCC1(C(=O)N2CCC(CO)(NC(=O)C(N)=O)CC2)CCC1 1080976282 SFENHHUPOLLYJP-UHFFFAOYSA-N 323.393 -0.312 30 20 DBED C=CCOCCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)COC)C1 1081177202 BFLNFSXAYUEICW-QWHCGFSZSA-N 314.382 -0.449 30 20 DBED C=CCCOCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2cocn2)C1 1081340599 FKPLJPARGKEXCN-DGCLKSJQSA-N 323.349 -0.184 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2cc(C)on2)C[C@@H]1O 1081345064 YCXLMXAERGSDQD-AAEUAGOBSA-N 323.349 -0.265 30 20 DBED C=C(Cl)CN1C[C@@H](NC(=O)[C@@H]2COCCO2)[C@H](OC)C1 1081384541 ZWIGGIVZSXRRGD-UTUOFQBUSA-N 304.774 -0.030 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2cnn(C)c2N)C1 1081425080 NFTLOYNISKRVTI-ZYHUDNBSSA-N 321.381 -0.482 30 20 DBED CCN(CC)CC(=O)N1C[C@H](CNC(=O)C#CC2CC2)[C@@H](O)C1 1081470544 BNATYQDALYCDDY-GJZGRUSLSA-N 321.421 -0.323 30 20 DBED C=CCCOCC(=O)NC[C@@H]1CN(C(=O)c2cc[nH]n2)C[C@@H]1O 1081566294 FDTGQPOKRMQPJC-YPMHNXCESA-N 322.365 -0.449 30 20 DBED C#CCCN1C[C@@H](NC(=O)c2cnc3[nH]nnc3c2)[C@H](OC)C1 1081803892 FCVARNVQIZWLFT-CHWSQXEVSA-N 314.349 -0.195 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCCC[C@H]1CNC(=O)CNC(N)=O 1082074825 QHGNQIPRNNFXDZ-RYUDHWBXSA-N 324.381 -0.810 30 20 DBED C#CCN1C[C@@H](NC(=O)c2nnn(CC)c2CC)[C@H](OC)C1 1082128016 IQWIAPXHVIAQNX-DGCLKSJQSA-N 305.382 -0.077 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CCCC(=O)N1C 1083261915 RZMTXRJKLKBMIL-SOUVJXGZSA-N 319.405 -0.068 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2coc3c2C(=O)NCCC3)C1 1083657050 CHOHPOHMAGKMNG-NEPJUHHUSA-N 317.345 -0.636 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(Cc2nncn2C)C[C@@H]1O 1083789423 ASSNZMISCADGDY-NDBYEHHHSA-N 321.381 -0.933 30 20 DBED CC#CCN1CC[C@@H]2CCN(C(=O)C[C@@H]3CC(=O)NC3=O)C[C@@H]21 1085108486 IVAHZOCYLCRUKX-RDBSUJKOSA-N 317.389 -0.015 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CCN(Cc3nnnn3C)C[C@H]2C1 1087910915 DCQLNMYLOFTZQF-TUAOUCFPSA-N 303.370 -0.350 30 20 DBED N#CCN1C[C@@H](NC(=O)[C@H]2COC(=O)N2)CC2(CCOCC2)C1 1089940182 ZFZNXUFWVMPKOI-NWDGAFQWSA-N 322.365 -0.394 30 20 DBED Cc1nc(C(=O)N[C@H]2CCN(CC#N)C[C@H]2O)c(=O)[nH]c1C 1090356745 YCNLDSVWLWKTED-WDEREUQCSA-N 305.338 -0.925 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2c(OC)ccnc2O)[C@H](O)C1 1090731876 XLZIZRRAKHUOCS-NWDGAFQWSA-N 319.361 -0.016 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)CN2C(=O)CCC2=O)[C@@H](O)C1 1090796623 QDBYRWGREWCTLO-RYUDHWBXSA-N 309.366 -0.737 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)c2cccc(C(N)=O)n2)[C@@H](O)C1 1090838184 BWZYATRYTCBBJB-RISCZKNCSA-N 318.377 -0.078 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CN(c2nc(C)ccc2C#N)C[C@@H]1O 1091062193 BWIHLXWUCZHVTB-OLZOCXBDSA-N 317.349 -0.937 30 20 DBED N#Cc1c(F)cccc1N1C[C@H](O)[C@H](NC(=O)CC(N)=O)C1 1091077485 GJXAGEBUQPEQGS-PWSUYJOCSA-N 306.297 -0.762 30 20 DBED CC(C)(O)CC(=O)N[C@H]1CCN(c2ccc(C#N)nn2)C[C@@H]1O 1092144839 FBRVIQZIAZHGBG-RYUDHWBXSA-N 319.365 -0.435 30 20 DBED C#CCN1C[C@@H](C)[C@H](CNC(=O)[C@@H]2CN(C(C)=O)CCO2)C1 1093169323 CJQUWRWEVYOMGI-YUELXQCFSA-N 307.394 -0.449 30 20 DBED N#Cc1cncc(NCCNC(=O)CN2C(=O)CCC2=O)n1 1093625496 ICXZWODQKCAYHM-UHFFFAOYSA-N 302.294 -0.975 30 20 DBED C=CCN1CC(n2cc(CNC(=O)c3n[nH]c(C)c3O)nn2)C1 1094283998 RQMNFFQGEMXFPH-UHFFFAOYSA-N 317.353 -0.012 30 20 DBED N#CCN1CCN(C(=O)c2ccco2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094600312 OKQUUIPOSYLGPI-WDEREUQCSA-N 309.347 -0.273 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)c3nnn(C)c3C)CC2=O)C1 1094717403 JRWMHFQQMHCDPO-NSHDSACASA-N 318.381 -0.676 30 20 DBED Cc1ccncc1C(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1 1094724165 SBRXWQHKGKHBRM-LBPRGKRZSA-N 313.361 -0.072 30 20 DBED N#CCN1CC(N2C[C@@H](NC(=O)Cc3cnoc3)CC2=O)C1 1094777879 DSQUBXNLIACCAQ-NSHDSACASA-N 303.322 -0.858 30 20 DBED N#Cc1cncc(NCCCNC(=O)[C@H]2CCC(=O)NC2)n1 1094884234 PIONSTIFRWBEBC-JTQLQIEISA-N 302.338 -0.207 30 20 DBED C[C@H](NC(N)=O)C(=O)NC[C@H](Nc1cnc(C#N)cn1)C1CC1 1096655914 ISOXKSATPAAXNI-KWQFWETISA-N 317.353 -0.288 30 20 DBED CC(=O)N[C@H](C)C(=O)N1CC[C@H](Nc2nccnc2C#N)C1 1096913629 NIYFMSYLUXTIGB-KOLCDFICSA-N 302.338 -0.114 30 20 DBED C[C@H](CNC(=O)[C@@H]1CCCS1(=O)=O)Nc1cnc(C#N)cn1 1097883313 KMTVHROOBBJCFS-KOLCDFICSA-N 323.378 -0.158 30 20 DBED C[C@H](CC(=O)NC[C@@H](C)Nc1ccc(C#N)nn1)NC(N)=O 1098075895 ILQXEXGPOZTRPV-RKDXNWHRSA-N 305.342 -0.288 30 20 DBED Cc1cc(=N[C@H](C)CNC(=O)[C@H]2CNC(=O)N2)c(C#N)c[nH]1 1098251708 YMGAOBSATIVMOC-BXKDBHETSA-N 302.338 -0.718 30 20 DBED CC[C@H](C)C(=O)NCC(=O)N1CCC(N(CC#N)CCO)CC1 1098564131 NWSBRRFOZOWYEK-ZDUSSCGKSA-N 324.425 -0.042 30 20 DBED CC#CCN1CCC2(CC1)CN(C(=O)CC(N)=O)C[C@@H](C)O2 1098577719 HXDDFZFGKFHIFZ-CYBMUJFWSA-N 307.394 -0.033 30 20 DBED C#CCCNCc1cn([C@@H]2CCN(C(=O)c3cnon3)C2)nn1 1098751884 SLEAIZIOQMPHNG-GFCCVEGCSA-N 315.337 -0.139 30 20 DBED C[C@H](NC(N)=O)C(=O)NCC[C@@H](C)Nc1cncc(C#N)n1 1099041686 WLXRXVKHNPJFHP-BDAKNGLRSA-N 305.342 -0.288 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2cnc(C)cn2)[C@H](O)C1 1099629965 KEWRWDAKGDGJAJ-DZGCQCFKSA-N 318.377 -0.400 30 20 DBED C=CCCN1CC[C@@H](NC(=O)CCN2CCOCC2)[C@@H](O)C1 1100037112 UEZFRXZVRLFJLQ-CABCVRRESA-N 311.426 -0.164 30 20 DBED CN(CCNC(=O)c1c[nH]c(C(N)=O)c1)c1cnc(C#N)cn1 1100116620 HZLCXWNUZWCPBK-UHFFFAOYSA-N 313.321 -0.359 30 20 DBED COCC#CCN1C[C@@H]2CN(C(=O)c3cnn(C)n3)C[C@]2(C)C1 1101391834 WFXZCPDVYPWKMK-CJNGLKHVSA-N 317.393 -0.141 30 20 DBED COCC#CCN1C[C@@H](C)[C@H](CNC(=O)C[C@@H](C)NC(N)=O)C1 1101967874 MZKKBTLXVDRFMT-MGPQQGTHSA-N 324.425 -0.233 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CCCCN(c2cnc(C#N)cn2)C1 1102837797 DDQLBYPMZKOXFG-GFCCVEGCSA-N 316.365 -0.041 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1)CNc1ccc(C#N)nn1 1104034575 KCKJAOXTCDLUMP-KOLCDFICSA-N 302.338 -0.209 30 20 DBED Cn1cnc(C(=O)N2CC(n3cc(CNCC#N)nn3)C2)c1 1105209304 CKKVHXUSGAOVKR-UHFFFAOYSA-N 300.326 -0.678 30 20 DBED C=CCNCc1cn(C2CN(C(=O)c3n[nH]c(C)c3O)C2)nn1 1105210914 CMEGAYNRBNNACG-UHFFFAOYSA-N 317.353 -0.012 30 20 DBED C#CCCCC(=O)N1CC(n2cc(CNCC(N)=O)nn2)C1 1105225060 IVIMFNKQGNKRGO-UHFFFAOYSA-N 304.354 -0.960 30 20 DBED C=CC(C)(C)C(=O)N1CC(n2cc(CN[C@H](C)C(N)=O)nn2)C1 1105297348 LSRBFXQTGGIUGW-SNVBAGLBSA-N 320.397 -0.163 30 20 DBED CN(CCN(C)c1ncccc1C#N)C(=O)[C@H]1CNC(=O)N1 1105540865 ALVUVAFKQSWYCK-LLVKDONJSA-N 302.338 -0.471 30 20 DBED Cc1nnc(CC(=O)NC[C@@H](O)CNc2nccnc2C#N)o1 1105816322 WPJAGCNRVDNDII-SECBINFHSA-N 317.309 -0.829 30 20 DBED N#Cc1nccnc1NC[C@H](O)CNC(=O)Cc1cccnc1 1105820366 XDXYWKOHUVYERW-GFCCVEGCSA-N 312.333 -0.125 30 20 DBED CN1CCOC[C@H]1C(=O)NC[C@H](O)CNc1ccc(C#N)nc1 1105829091 PABQHSRGXJIEMQ-KGLIPLIRSA-N 319.365 -0.827 30 20 DBED Cc1cc(C#N)nc(NC[C@H](O)CNC(=O)c2cncn2C)n1 1106011146 LCIZQOFTBXCKQN-LLVKDONJSA-N 315.337 -0.407 30 20 DBED C=CCNC(=O)CNC[C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@H]1C 1106280426 PGGCEKOCLVODSE-VXGBXAGGSA-N 324.425 -0.516 30 20 DBED C#CCNC[C@@H]1CN(C(=O)COCc2nncn2C)C[C@H]1C 1106820160 YIEYMGJTAMUBBZ-CHWSQXEVSA-N 305.382 -0.351 30 20 DBED C#CCN1CC(n2cc(CNC(=O)CCCN(C)C)nn2)C1 1107199588 NUEKIWLWXUIERQ-UHFFFAOYSA-N 304.398 -0.274 30 20 DBED C[C@H](CC(=O)NC/C=C/CN=c1cc[nH]cc1C#N)NC(N)=O 1107350009 BRZFRWBHJFFLET-KXMPLOMGSA-N 316.365 -0.094 30 20 DBED C[C@@H](CC(=O)NC/C=C/CNc1ccc(C#N)nn1)NC(N)=O 1107350220 FMIRIRVLKKHFCR-PBKGFPTLSA-N 317.353 -0.121 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@]1(C)CN(CC(=O)NC)CCO1 1107903309 UECLSTMZGHKVDW-CABCVRRESA-N 313.398 -0.733 30 20 DBED C#CCCN1CCO[C@](C)(CNC(=O)[C@@H]2CN(C)C(=O)N2)C1 1108120149 WPDWKGKLFDKRCY-SWLSCSKDSA-N 308.382 -0.760 30 20 DBED C=CCCN1CCO[C@@](C)(CNC(=O)CCn2cnnn2)C1 1108302426 KGAZAUNZEVXHBU-AWEZNQCLSA-N 308.386 -0.154 30 20 DBED CNC(=O)NCC(=O)N[C@@H](C)CN=c1cc(C)[nH]cc1C#N 1108755849 PXSFNQMEDIPTCZ-JTQLQIEISA-N 304.354 -0.471 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@]1(O)CCN(c2ncccn2)C1 1111097636 CYWNSLCPMAIPSY-WFASDCNBSA-N 304.350 -0.428 30 20 DBED C#CCOCCC(=O)NC[C@H]1CN(c2ncc(F)cn2)C[C@@H]1O 1112738792 RSJPIIHVIJDNRX-AAEUAGOBSA-N 322.340 -0.431 30 20 DBED N#Cc1cnc(NCC2CC(NC(=O)CCNC(N)=O)C2)cn1 1112840194 MPFTUKNSYCJOSO-UHFFFAOYSA-N 317.353 -0.287 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)c2cn(CC)nn2)CC1 1113474521 SIGNEHYGMUTCEZ-GFCCVEGCSA-N 318.381 -0.806 30 20 DBED C#CCCCCC(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#C)C[C@@H]21 1114159674 JVENPNGNNSTTFJ-HALDLXJZSA-N 301.390 -0.024 30 20 DBED CC#CCN1C[C@@H]2C(NC(=O)CNC(=O)N3CCCC3)[C@H]2C1 1114266210 MKMGAVVYCIDMJS-STQMWFEESA-N 304.394 -0.139 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1[C@H]2CN(CC#CCOC)C[C@H]12 1114421943 UCGNXIAFOBMZPQ-JYJNAYRXSA-N 315.417 -0.220 30 20 DBED Cc1nnccc1C(=O)NC1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]12 1114524215 QKMIMBZOFUEWHA-VXGBXAGGSA-N 314.349 -0.915 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)CCCN(C)C)[C@H]2C1 1114745670 DCIGIANESZTIIL-IHRRRGAJSA-N 320.437 -0.488 30 20 DBED C[C@@H](C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21)C(C)(F)F 1114853317 BPEMYBWMKAABRL-UXCLJVHYSA-N 314.336 -0.036 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)c3ccncn3)[C@@H]2C1 1114993901 CLOIFITXCPNUAU-GHMZBOCLSA-N 301.350 -0.561 30 20 DBED CC[C@@]1(O)CCN(C(=O)C(=O)N2CCN(CCC#N)CC2)C1 1118946204 TZDFKCOYLCRJJJ-OAHLLOKOSA-N 308.382 -0.582 30 20 DBED C[C@H](CN1CCOCC1)NC(=O)C(=O)N1CCC[C@@H](C#N)C1 1119745360 BECQQMCJGHUKKE-OLZOCXBDSA-N 308.382 -0.415 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)Cc2ccon2)nn1 1121257148 ISRUQUIFQUSPDF-LLVKDONJSA-N 302.294 -0.532 30 20 DBED CC(=O)N1CC(C(=O)NC[C@@H](CO)Nc2ccc(C#N)cn2)C1 1121364162 BETAIUDBHRNRGS-ZDUSSCGKSA-N 317.349 -0.679 30 20 DBED CCn1nncc1C(=O)NC[C@H](CO)Nc1ccc(C#N)nn1 1121472938 VUIZMRAXIUFKQT-SNVBAGLBSA-N 316.325 -0.838 30 20 DBED Cc1ncc(CC(=O)NC[C@H](CO)N=c2cc[nH]cc2C#N)o1 1122189407 GILNUBZWQTYXSU-GFCCVEGCSA-N 315.333 -0.197 30 20 DBED Cc1n[nH]cc1C(=O)NC[C@H](CO)Nc1nccnc1C#N 1122294549 VGTVETJVGWUJBY-SECBINFHSA-N 301.310 -0.417 30 20 DBED Cc1cnn(C)c1C(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1 1122343435 ZIDHELIHCJRAQB-JTQLQIEISA-N 315.337 -0.985 30 20 DBED C#CCN(CC)c1nnc(CS(C)(=O)=O)n1CCOC 1122423961 GGHLEUALQCIVIF-UHFFFAOYSA-N 300.384 -0.071 30 20 DBED N#Cc1cnc(N[C@H](CO)CNC(=O)c2cnn[nH]2)c(Cl)c1 1122880592 UIQOVOGHLZPZKB-QMMMGPOBSA-N 321.728 -0.072 30 20 DBED CN(C)C(=O)CC(=O)N(C)C[C@@H](O)CNc1ccc(C#N)nc1 1124799423 YPXWMXUXZOXTJD-ZDUSSCGKSA-N 319.365 -0.337 30 20 DBED CC(C)NC(=O)NCCNCCNC(=O)c1cc(C#N)c[nH]1 1125360500 FNOORUKOGYWJCO-UHFFFAOYSA-N 306.370 -0.087 30 20 DBED CC(=O)N[C@H](C)C(=O)N1C[C@@H](NCC#N)[C@H](c2cn(C)cn2)C1 1130488450 WLXNAPDMNZHLJO-SCDSUCTJSA-N 318.381 -0.648 30 20 DBED O=C1NC[C@H](C(=O)NCCNCC#Cc2ccc(F)cc2)N1 1133129223 WODDVOVVKPKHTO-CYBMUJFWSA-N 304.325 -0.436 30 20 DBED C[C@H]1CCN(C(=O)c2cnon2)C[C@H]1CNCC(=O)NCC#N 1133181972 LVQMGDFLIOTDHW-WDEREUQCSA-N 320.353 -0.603 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)C[C@@H](C)NCc1cncn1C 1134130914 OFEICPRTBVLAHY-CHWSQXEVSA-N 319.409 -0.068 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1cc(C)nn1CC 1134267122 CMMOQFBKBZMOGN-LBPRGKRZSA-N 305.382 -0.331 30 20 DBED C=C(Br)CNCCNC(=O)CN1CC(=O)NC1=O 1135456609 BLXQDTVWWBHCMF-UHFFFAOYSA-N 319.159 -0.847 30 20 DBED C[C@@H](C[C@@H](C)NCC(=O)NCC#N)NC(=O)Cn1ccnc1 1146780659 YKSOHXJMRLLFIO-NEPJUHHUSA-N 306.370 -0.604 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)Cc1[nH]cnc1C 1149131088 UQBDSXUCYDQMJD-UHFFFAOYSA-N 320.397 -0.271 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)Cn1ccccc1=O 1150604534 YDIOPGPDHVRWKW-GFCCVEGCSA-N 306.366 -0.755 30 20 DBED C#CCNC(=O)CC(=O)NCCCN[C@H](C)C(=O)NCC(C)C 1156857266 KFADPNQKFTZPLS-CYBMUJFWSA-N 324.425 -0.618 30 20 DBED COCC1(C(=O)NCCCNCC(=O)NCC#N)CCCC1 1159393177 AVDVFAGJAYICGV-UHFFFAOYSA-N 310.398 -0.071 30 20 DBED C#CCO[C@@H](C)C(=O)NCCC1(CNCc2nc(O)n[nH]2)CC1 1164508563 DFSZAOQTOLGWRX-NSHDSACASA-N 321.381 -0.075 30 20 DBED CC(C)(NS(C)(=O)=O)C(=O)NCCC1(CNCC#N)CC1 1167409006 UJVGLDBPGDIMOP-UHFFFAOYSA-N 316.427 -0.286 30 20 DBED C=CCOCCNCCCNC(=O)C(C)(C)NS(C)(=O)=O 1167811290 CRZKUNLBPLWQSK-UHFFFAOYSA-N 321.443 -0.387 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)CC(=O)NCC1CC1 1170581200 ZOGJAMYOBPZJCP-GFCCVEGCSA-N 324.425 -0.311 30 20 DBED C[C@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)C(=O)C(C)(C)C 1178364299 SLSBAIVCPUZNNK-QWRGUYRKSA-N 308.382 -0.180 30 20 DBED C[C@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)[C@@H]1CC1(F)F 1178632257 LMEVGRUKFRPNCU-GUBZILKMSA-N 300.309 -0.140 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2csc(O)n2)[C@H]1C 1179363976 CTLULCUENQYDSW-UWVGGRQHSA-N 322.390 -0.209 30 20 DBED C=CCOCCN[C@H]1CCN(C(=O)CN2CC(=O)NC2=O)[C@H]1C 1179731285 UCPIMTBXPYJCQM-RYUDHWBXSA-N 324.381 -0.680 30 20 DBED CC(=O)N(C)CC(=O)N1C[C@H](CNCC#N)C2(CCOCC2)C1 1186265034 NAMLXNUDULRXPF-AWEZNQCLSA-N 322.409 -0.167 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2cn(C(C)C)nn2)C1 1186666284 XTRXXVDNWNZELO-GFCCVEGCSA-N 318.381 -0.588 30 20 DBED CCC[C@H](OC)C(=O)N1CC[C@H]2CN(CC(=O)NCC#N)C[C@H]21 1188767932 HHKMRJPTLMBUES-MJBXVCDLSA-N 322.409 -0.026 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@H]1CCN(C(=O)c2cc[nH]n2)C1 1188974472 PJJKCOPMPVABGC-NEPJUHHUSA-N 303.366 -0.306 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](N(C)Cc2n[nH]c(C)n2)C1 1189759665 BFSNTWDBVOOTDL-GFCCVEGCSA-N 318.381 -0.715 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN([C@H](C)c2nncn2C)C[C@H]1O 1192762265 TYNQVFBJXOFVII-JHJVBQTASA-N 305.382 -0.303 30 20 DBED N#Cc1c[nH]c(C(=O)N2CCCN(CC(=O)NC(N)=O)CC2)c1 1195427080 OKCLUQJDLGRVDY-UHFFFAOYSA-N 318.337 -0.771 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)[C@H](C)n2cncn2)CC1 1195516181 YTMPAHFLPZJZFQ-ZDUSSCGKSA-N 320.397 -0.324 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)N1CCCN([C@H](C)C(N)=O)CC1 1197354368 SVFJLYDZDWIYMT-OCCSQVGLSA-N 324.425 -0.135 30 20 DBED Cc1nc(C(=O)N2CCC(NCC(=O)NCC#N)CC2)co1 1200263316 YPKRPZMALSWMIQ-UHFFFAOYSA-N 305.338 -0.183 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)c2cn(C)c(=O)cn2)CCCO1 1201010007 MSNHAKUNOAHDAC-CYBMUJFWSA-N 318.377 -0.376 30 20 DBED N#CCNC(=O)CNC[C@@H]1CN(C(=O)[C@@H]2CC23CC3)CCCO1 1201484255 RYQREHOXAGPLKN-OLZOCXBDSA-N 320.393 -0.367 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)c2cnn(C)c2)CC1 1204419096 JVIXERAHGQRFQK-UHFFFAOYSA-N 317.393 -0.389 30 20 DBED C#CCCN[C@H]1C[C@H]2CC[C@H]1N(C(=O)CN1C(=O)CNC1=O)C2 1204948273 MVUNYPUVGLXNIG-FRRDWIJNSA-N 318.377 -0.469 30 20 DBED C[C@H]1CCN(CC(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@H]2C)C1 1208591456 XDWKLQRKRXTXRB-BFHYXJOUSA-N 321.425 -0.596 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2[nH]nnc2C)C[C@H]1C 1215291623 DOQRYOMRZCTKKI-ADEWGFFLSA-N 320.397 -0.146 30 20 DBED C#CCCCC(=O)N1CCO[C@@H]2CN([C@@H]3CCCNC3=O)C[C@@H]21 1217758791 TWQXXRJUXVWAMK-QLFBSQMISA-N 319.405 -0.020 30 20 DBED CC(C)C(=O)N(C)CC(=O)N1CCO[C@@H]2CN(CC#N)C[C@@H]21 1218036776 CPJOJMVNWXMBSD-QWHCGFSZSA-N 308.382 -0.464 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(CCc2ccnn2C)C[C@@H]1O 1219539297 FAIJCARBZYMNFK-CABCVRRESA-N 304.394 -0.073 30 20 DBED CN(C(=O)CN1C[C@H](O)[C@H](NC(=O)C#CC(C)(C)C)C1)C1CC1 1219589925 OCCPVEADTPCLDH-KGLIPLIRSA-N 321.421 -0.182 30 20 DBED CC(C)(C)C#CC(=O)N[C@@H]1CN(Cc2nc(O)n[nH]2)C[C@@H]1O 1219597982 BUUXDMYEEBXILS-ZJUUUORDSA-N 307.354 -0.779 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3ncc[nH]3)[C@@H]2C1 1221526527 OZTHDIYODAVKNH-VXGBXAGGSA-N 301.350 -0.695 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)Cc1cnc[nH]1 1228800533 ODXJPPKTDWFRQM-ZIAGYGMSSA-N 317.393 -0.281 30 20 DBED N#C[C@]1(F)CCN(C(=O)C(=O)N2CCC[C@H]2C2OCCO2)C1 1262537859 QISFADNNJNPFIB-IINYFYTJSA-N 311.313 -0.186 30 20 DBED N#CCNC[C@H]1CCCN1C(=O)c1ccc(-n2cnnn2)cn1 1270098514 SPSQJAIFTOGESL-LLVKDONJSA-N 312.337 -0.225 30 20 DBED CNCCCc1[nH]nc(NC(=O)[C@@H]2CCC(=O)N2C)c1C#N 1320078182 NYQZJPGDEWQLBT-NSHDSACASA-N 304.354 -0.007 30 20 DBED C=CCN(C(=O)CSCC(N)=O)[C@@H]1CCS(=O)(=O)C1 1321826854 MTZAKNVUZXTEMT-SECBINFHSA-N 306.409 -0.593 30 20 DBED CC(C)C(=O)NC[C@H]1CCCN(C(=O)NCC(=O)NCC#N)C1 1323175058 QNUYGJQHAMDWSI-GFCCVEGCSA-N 323.397 -0.180 30 20 DBED C=CC[C@@H](NC(=O)CN1CCCS1(=O)=O)C(=O)OCC 1323830383 DRNDXNOQXBRGPA-SNVBAGLBSA-N 304.368 -0.354 30 20 DBED C#CCN1CCC(C(=O)NCCCn2cc(CO)nn2)CC1 1325939484 WNAKNTHUEHYFED-UHFFFAOYSA-N 305.382 -0.378 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N[C@@H]1CCN(C(C)=O)C1 1330418026 DBKIPDCNPVWJCJ-QWHCGFSZSA-N 309.366 -0.732 30 20 DBED COC1(CO)CCN(C(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)CC1 1332941348 RJLKGXISVGAFGJ-NWDGAFQWSA-N 309.366 -0.205 30 20 DBED Cn1cc(CNCCS(=O)(=O)c2ccc(C#N)cn2)nn1 1336728818 SXJKLBLBIRPJOR-UHFFFAOYSA-N 306.351 -0.355 30 20 DBED C#CCN1CCN(c2nnc(Cc3nc(C)no3)n2C)CC1 1339904129 VACOXRPURBJIFV-UHFFFAOYSA-N 301.354 -0.147 30 20 DBED C=CCn1c(C[C@@H](C)O)nnc1N1CCN(C(=O)COC)CC1 1351704986 PZRKGQNWBKBLBC-GFCCVEGCSA-N 323.397 -0.318 30 20 DBED N#Cc1ncn(CC(=O)N2CCC(N3CCCNC3=O)CC2)n1 1362272176 OJWHGZULSODGGZ-UHFFFAOYSA-N 317.353 -0.444 30 20 DBED N#Cc1cn(CCC(=O)N2CCC[C@H](CCO)C2)c(=O)nc1O 1362326898 LFJHMWFKKJUYBR-LLVKDONJSA-N 320.349 -0.168 30 20 DBED N#CCOc1ccccc1C(=O)N1C[C@@H](C(N)=O)[C@@H](C(N)=O)C1 1362714100 YYXPPQXOQXWUBR-PHIMTYICSA-N 316.317 -0.752 30 20 DBED CC[C@@H](C#N)C(=O)N[C@H]1CCN(c2cc(=O)n(C)c(O)n2)C1 1363706089 FFXKGZOTINPIMM-UWVGGRQHSA-N 305.338 -0.269 30 20 DBED N#Cc1cccc([C@@H](O)CN2CCN(CC(N)=O)C(=O)C2)c1 1365310698 SURONMKPNCIIPP-ZDUSSCGKSA-N 302.334 -0.779 30 20 DBED CC(C)CS(=O)(=O)CC(=O)NC[C@@H](C)NC(=O)[C@@H](C)C#N 1372961145 LMGZBBCQFQZHNX-WDEREUQCSA-N 317.411 -0.162 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(C(N)=O)c2)C1 1385156253 QOTIQCOIXQISFX-WCBMZHEXSA-N 303.322 -0.396 30 20 DBED CNC(=O)NCCC(=O)NC[C@H](C)NC(=O)c1cc(C#N)c[nH]1 1386253252 WBCIYVYTTMHVIJ-VIFPVBQESA-N 320.353 -0.560 30 20 DBED CC[C@H](CNC(=O)c1ccc(C(N)=O)cn1)NC(=O)[C@H](C)C#N 1388111420 JIWACCSNQVINQN-MWLCHTKSSA-N 317.349 -0.035 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1cnn2c1CCC2 1389092650 IKTKDWVWNXVRAO-ZJUUUORDSA-N 305.338 -0.804 30 20 DBED N#Cc1ccc(C(=O)NC[C@H](O)CNC(=O)C2CCOCC2)[nH]1 1391972530 XCAILVZBCGAXKE-GFCCVEGCSA-N 320.349 -0.480 30 20 DBED CN(CCNC(=O)CCN1CCOCC1)c1ccc(C#N)nn1 1396203314 WRSAKFKZXFKOPT-UHFFFAOYSA-N 318.381 -0.377 30 20 DBED COCC(=O)NCCC(=O)N(C)C[C@@H]1CCN1C(=O)[C@@H](C)C#N 1396479255 PQUOWIAJFDRPDO-RYUDHWBXSA-N 324.381 -0.642 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)CCNC(N)=O)C[C@@H]2C1 1396584482 SLGCQNZLCNTKPB-TUAOUCFPSA-N 321.381 -0.489 30 20 DBED CN(CCNC(=O)c1ncn(C)n1)C(=O)c1c[nH]c(C#N)c1 1408561449 LFRPURULZZOPGL-UHFFFAOYSA-N 301.310 -0.483 30 20 DBED C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)CO[C@@H]1CCOC1 1410375823 VCPIGDDORODNNC-CMPLNLGQSA-N 320.349 -0.074 30 20 DBED CC(=O)C[C@H]1COCCN1C(=O)Cn1cc(C#N)c(O)nc1=O 1417711276 CNSMWLXHNACEGL-NSHDSACASA-N 320.305 -0.973 30 20 DBED N#CC1(CNC(=O)c2coc(S(N)(=O)=O)c2)CCOCC1 1420588683 AGTCMDOKLLAHKV-UHFFFAOYSA-N 313.335 -0.023 30 20 DBED CCN1CCOC[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@H](C)C#N)C1 1430179976 IFXFZOGANAPXCR-FDYHWXHSSA-N 308.382 -0.370 30 20 DBED CC(C)C[C@H](CNC(=O)[C@H](C)C#N)NC(=O)CCNC(N)=O 1433009325 GOYDLAMSJPOTLE-GHMZBOCLSA-N 311.386 -0.148 30 20 DBED Cn1cc(NC(=O)NCC2(C#N)CCOCC2)c(C(N)=O)n1 1434748939 BAJSSCXMSQTDII-UHFFFAOYSA-N 306.326 -0.039 30 20 DBED C=C(Cl)CN[C@@H](C)CNC(=O)C[C@H](NC(C)=O)C(N)=O 1442001852 QCNAUWYHOHKBKN-WPRPVWTQSA-N 304.778 -0.787 30 20 DBED CCN(CCC#N)C(=O)CN(C)CCNC(=O)[C@@H]1CCOC1 1442385222 ZYAZUWBNFAVGMY-CYBMUJFWSA-N 310.398 -0.167 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)c2ccc(C(N)=O)o2)C1 1447459591 MNTVTYPXEPKVGD-CIUDSAMLSA-N 304.306 -0.085 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](C)CNC(=O)c1ccc(C(N)=O)cn1 1451615353 UFTICEKXFBQQBJ-ZJUUUORDSA-N 317.349 -0.178 30 20 DBED CN(CCC#N)S(=O)(=O)N[C@@H]1C[C@H]2CCCCN2C1=O 1463829986 IGDHIHANSQZYRQ-GHMZBOCLSA-N 300.384 -0.180 30 20 DBED CCN(CCC#N)C(=O)CNC[C@H](C)NC(=O)c1ccn(C)n1 1483294146 SPXQFBOPFGWCTK-LBPRGKRZSA-N 320.397 -0.110 30 20 DBED C[C@@H](C#N)C(=O)NC1(C)CCN(Cc2nc(=O)n(C)[nH]2)CC1 1483962226 JSHIRYWOMLKVAT-JTQLQIEISA-N 306.370 -0.261 30 20 DBED CN1CCCC[C@H]1C(=O)NC1CC(CNCC(=O)NCC#N)C1 1485096370 YNVJKDXOYYZNNR-RUXDESIVSA-N 321.425 -0.405 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@@H](NC(=O)c2cn(C)nc2C)C1 1490531441 YSLUJHAIDACYSP-CHWSQXEVSA-N 317.393 -0.329 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCN(C(=O)[C@H](C)CC(N)=O)C2)C1 1512322610 WHMNWEVQTQPHJG-GHMZBOCLSA-N 306.366 -0.282 30 20 DBED CN(CCN(C)C(=O)[C@H]1CCC(=O)N1)C(=O)c1ccc(C#N)[nH]1 1532929524 XDXIVDFLWMINCN-GFCCVEGCSA-N 317.349 -0.305 30 20 DBED C=CCN1CC[C@@H](NC[C@H](NC(=O)CNC(=O)O)C2CC2)C1=O 1573369299 XSMMUJYUSJOHPW-NEPJUHHUSA-N 324.381 -0.475 30 20 DBED CC(=O)N1CCC[C@@H]1C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[nH]1 1573448716 LDVPIBPWEDWBCS-MRVPVSSYSA-N 315.297 -0.589 30 20 DBED C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCNCC1 1574936409 LGRKWHUVRPNREN-GFCCVEGCSA-N 320.397 -0.506 30 20 DBED C#CC[C@@H](CO)NC(=O)[C@H](O)c1ccc(-c2nn[nH]n2)cc1 1588332166 WKPQXLIETHNZGO-NWDGAFQWSA-N 301.306 -0.600 30 20 DBED CC#CCS(=O)(=O)NC(=O)c1cc(-c2nn[nH]n2)oc1C 1588753054 ZBBYBBFDHDFGNQ-UHFFFAOYSA-N 309.307 -0.149 30 20 DBED C[C@@]1(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCN(CC#N)C1 1590145703 VAGDLCIFSYUEKJ-CYBMUJFWSA-N 300.326 -0.087 30 20 DBED N#C[C@@H]1COCCN1S(=O)(=O)c1cccnc1-c1nn[nH]n1 1592671955 UHJZUPOLQZDRCL-MRVPVSSYSA-N 321.322 -0.825 30 20 DBED COC(=O)[C@@H]1CN(C(=O)c2ccc(C#N)nc2)C[C@@H]1C(=O)O 1598815869 IUCJICCCBLQNGM-WDEREUQCSA-N 303.274 -0.101 30 20 DBED CS(=O)(=O)Nc1ccc(C(=O)N(CC#N)CC(=O)O)cn1 1599760195 OZNNXGXIXOGQGN-UHFFFAOYSA-N 312.307 -0.497 30 20 DBED N#CCOc1cccc(NC(=O)C(=O)NC[C@@H](O)CC(=O)O)c1 1601075769 PWRRZGMLSKTADO-JTQLQIEISA-N 321.289 -0.521 30 20 DBED N#CCSCC(=O)N[C@H]1C[C@H](N=c2cc[nH]c(C(=O)O)n2)C1 1601076580 WVPDTDFTBBTIPG-KYZUINATSA-N 321.362 -0.087 30 20 DBED C#CC[C@H]1CCCN(C(=O)Cn2cnc(-c3nn[nH]n3)n2)C1 1602698960 BJTRSSBBYAICOI-JTQLQIEISA-N 300.326 -0.280 30 20 DBED C[C@](C#N)(CC(=O)O)C(=O)OC[C@H]1CCN(S(C)(=O)=O)C1 1602781976 MUEDUZVUDWTOKP-JOYOIKCWSA-N 318.351 -0.184 30 20 DBED C=CCCC[C@@H](NS(=O)(=O)CCS(C)(=O)=O)C(=O)O 1602873650 ZHJKVSSZHVZFNM-SECBINFHSA-N 313.397 -0.240 30 20 DBED N#Cc1nc(NC[C@@H]2CCCS2(=O)=O)cnc1-c1nn[nH]n1 1606392819 FXMLJDMMJQBDKU-ZETCQYMHSA-N 320.338 -0.483 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CCC[C@@H]2CC(=O)O)nn1 1609485320 MLBXCDYDLWLDDG-LLVKDONJSA-N 321.337 -0.454 30 20 DBED CNC(=O)Cn1nc(NC(=O)N2CC(O)(CC#N)C2)cc1C 1647280249 FFSSWONJNMEYEQ-UHFFFAOYSA-N 306.326 -0.570 30 20 DBED CNC(=O)NC(=O)[C@H](C)N[C@@H](C)CCNC(=O)C#CC1CC1 1714469405 LYTGXFUXKXPGGV-QWRGUYRKSA-N 308.382 -0.272 30 20 DBED C#CCN1CCN(CCNC(=O)c2cc(=O)c(OC)c[nH]2)CC1 1752366882 DUFDTTQUAYZULR-UHFFFAOYSA-N 318.377 -0.636 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)C2CCC(O)CC2)C1 1752390648 HDHXLXJOVQPKEM-MOKVOYLWSA-N 307.394 -0.523 30 20 DBED C[C@@H](CNC(=O)c1cnc2n1CCCC2)NCC(=O)NCC#N 1752895859 WTJRLUPBNLITCL-NSHDSACASA-N 318.381 -0.433 30 20 DBED N#CCN1CC[C@H](CNC(=O)CCCN2C(=O)CCC2=O)C1 1753128254 FHVJFGLROUPVJH-GFCCVEGCSA-N 306.366 -0.123 30 20 DBED C=CCOCCN1CC(NC(=O)c2ccc3nnnn3c2)C1 1753383042 PBMCJXJXWQUGES-UHFFFAOYSA-N 302.338 -0.259 30 20 DBED C#CCNC(=O)CN1CC(NC(=O)c2cccc(OC)n2)C1 1753389285 FZBXJGPKRSUCOC-UHFFFAOYSA-N 302.334 -0.746 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@H]1CCN1CCN1C(=O)CCC1=O 1754480542 JBRFHSQVXDRHMO-LRDDRELGSA-N 323.393 -0.347 30 20 DBED C#CCNC(=O)CN1CC(N(C)C(=O)C(C)(C)CCOC)C1 1754584388 ADQGIZIWJZGPES-UHFFFAOYSA-N 309.410 -0.059 30 20 DBED C#CCN(C(=O)c1cnc(O)n1C)C1CCN(CCO)CC1 1754639781 WDNSREFWAYYYMT-UHFFFAOYSA-N 306.366 -0.342 30 20 DBED CC#CCN1CC[C@@](O)(CNC(=O)C2(C(=O)NC)CCC2)C1 1754761656 ZWLXSNCAQQMPLB-OAHLLOKOSA-N 307.394 -0.521 30 20 DBED CC#CCNC1(CNC(=O)CS(=O)(=O)CCOC)CCC1 1754982381 JDVWRUCHGHSQIF-UHFFFAOYSA-N 316.423 -0.301 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@@H]1CN(C(=O)c2cc[nH]c2)CCO1 1755000714 PMXCLTJDADWUQD-GXTWGEPZSA-N 318.377 -0.417 30 20 DBED CNC(=O)NC(=O)[C@H](C)N(C)[C@H](C)CNC(=O)C#CC1CC1 1755299842 HJWACQNDUPUEGB-MNOVXSKESA-N 308.382 -0.320 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H](C)C1CN(CC(=O)NCCC)C1 1755376563 FVCCJDYOYOMDNV-OLZOCXBDSA-N 309.410 -0.013 30 20 DBED C#CCCN[C@H](CO)CNC(=O)c1cc2c(nc1O)CCOC2 1755643340 JQUVKJVECTWNAL-LBPRGKRZSA-N 319.361 -0.437 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@H](C)N(C(=O)c2c[nH]c(C#N)c2)C1 1755674912 NLPNODPINTYMKT-FZMZJTMJSA-N 313.361 -0.172 30 20 DBED C[C@@H](CNC(=O)[C@H](C)C#N)N(C)C(=O)C(=O)NCC(F)F 1756063260 HZSOYWWDBOQSCB-SFYZADRCSA-N 304.297 -0.510 30 20 DBED C#CCCCC(=O)N1CCO[C@H]([C@@H](C)NC(=O)c2cnn[nH]2)C1 1756216978 MKAKSRDPWRFSSF-YPMHNXCESA-N 319.365 -0.046 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@H](CO)NC(=O)c1cc(CC)[nH]n1 1756515910 RIDUZOZKGUAADN-NHYWBVRUSA-N 324.381 -0.494 30 20 DBED CC(C)C#CC(=O)N(C)C[C@@H](O)CNC(=O)c1ccnn1C 1756661993 HLPPDGDAWZQKRM-LBPRGKRZSA-N 306.366 -0.371 30 20 DBED COCCCC(=O)N[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1O 1756980639 AARRGIWMBPFNSU-CHWSQXEVSA-N 320.349 -0.386 30 20 DBED CN(C[C@@H]1CCN1C(=O)[C@@H]1CC(=O)N(C)C1)C(=O)C#CC1CC1 1757290345 QIIJBOXSAWAOIM-KGLIPLIRSA-N 317.389 -0.063 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N1CCO[C@@](C)(C(=O)O)C1 1776398560 QQOFGKHVXUIQPN-MWLCHTKSSA-N 305.356 -0.359 30 20 DBED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)OC)C[C@@H]21 1790790765 CWGYWLDWEXMVDC-AVGNSLFASA-N 322.361 -0.448 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)OCC=C 1793360527 RPOUKLDJILHDEP-XPCVCDNBSA-N 306.362 -0.200 30 20 DBED CCN(C)[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC#N 1795083741 QOUNBIPUGBHXGA-GUIRCDHDSA-N 322.409 -0.170 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1[C@H]2COC[C@H]21 1801605496 XSICOUJSLGXULN-WYDCJEIBSA-N 304.346 -0.898 30 20 DBED N#CCC(=O)NC[C@H]1CCN(C(=O)C(O)O)[C@H]1c1cccnc1 1806275876 MFKMMLQCXIIYLW-YPMHNXCESA-N 318.333 -0.688 30 20 DBED C=C(C)C/N=C(\NCC(=O)N(C)C)N1CCN(CC)C(=O)C1 262328702 UNRUTHNKPACTTC-UHFFFAOYSA-N 309.414 -0.240 30 20 DBED N#Cc1c(Cl)nsc1N1CCN(S(N)(=O)=O)CC1 266038752 ABPLHPNGJXQODK-UHFFFAOYSA-N 307.788 -0.006 30 20 DBED C#CCSCCNC(=O)CNS(=O)(=O)CCOC(C)C 267169388 ULIARPCSNFYUQW-UHFFFAOYSA-N 322.452 -0.187 30 20 DBED C#CC(C)(C)N(C)CC(=O)c1c(O)nc(=O)n(CCOC)c1N 298470580 IRFNAIUCXHIKQG-UHFFFAOYSA-N 322.365 -0.296 30 20 DBED CNS(=O)(=O)Cc1ccc(C/N=C(/N)NCCOC)cc1 303255111 FYEJOENFKMTYMD-UHFFFAOYSA-N 314.411 -0.214 30 20 DBED N#Cc1ccc(NCC(=O)N2CCN(c3cnccn3)CC2)nc1 339135155 HZWVGIKWVKVREH-UHFFFAOYSA-N 323.360 0.504 30 20 DBED COC[C@@](C)(C#N)NC(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O 342900179 ZZLFNXKPBVZSOJ-JRPNMDOOSA-N 305.334 -0.018 30 20 DBED COC(=O)CN(CC#N)C(=O)Cn1cc([N+](=O)[O-])ccc1=O 348802042 MNIVVHFQDPDBQK-UHFFFAOYSA-N 308.250 -0.718 30 20 DBED N#Cc1cc(F)ccc1NC(=O)C(=O)NCCn1ncnn1 359385440 VPSPRFSWWKZXRV-UHFFFAOYSA-N 303.257 -0.561 30 20 DBED C=CCNC(=O)CNC(=O)c1ccc(OC)c(-n2cnnn2)c1 359503553 NKEPALNOJVDUFG-UHFFFAOYSA-N 316.321 -0.297 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCOC[C@H](C)C2)C1=O 378261419 SXKSRNMRJQOJBL-SNVBAGLBSA-N 309.322 -0.542 30 20 DBED COC(=O)C[C@@H](NS(=O)(=O)c1ccc(C#N)s1)C(=O)O 381731032 WWOOWXDGIRYHGA-SSDOTTSWSA-N 318.332 -0.086 30 20 DBED C#C[C@@H](NC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C)C(C)C 490637121 PYGXAWGYJKSCMZ-LLVKDONJSA-N 316.361 -0.037 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2ncoc2CC)CC1 491674398 XDDLGCHLKHOBHE-UHFFFAOYSA-N 304.350 -0.256 30 20 DBED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CC[C@H]2O)c1 491728478 MPMLDWYAKKKKIX-CHWSQXEVSA-N 308.359 -0.149 30 20 DBED N#Cc1ncn(CCNC(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@H]2[C@@H]4O)n1 574110799 PDYUNBWEBDWUQN-VKISENBKSA-N 302.338 -0.440 30 20 DBED C=C[C@H](O)C(=O)N(C)CCOc1ccc(S(N)(=O)=O)cc1 615242923 OLDDAKLPMBZFPY-LBPRGKRZSA-N 314.363 -0.282 30 20 DBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@@H]1COCCN1 627290670 XILPDXJSEIRLNN-XQQFMLRXSA-N 311.382 -0.812 30 20 DBED CC#CC[C@@H](CO)NC(=O)C(=O)Nc1cc(C)cc(C(N)=O)c1 646950621 COWFHGOOVCVUAQ-LBPRGKRZSA-N 317.345 -0.077 30 20 DBED CC#CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(C(=O)NC)cc1 646954870 DFPFLIHOSQQJBV-ZDUSSCGKSA-N 317.345 -0.125 30 20 DBED C=C[C@@H](O)C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 667671230 LIPMJVKWTZSTEV-CYBMUJFWSA-N 318.377 -0.217 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCO[C@@H](CNC(C)=O)C1 668871492 JBDBHUQFCCEHLC-UONOGXRCSA-N 311.382 -0.179 30 20 DBED C=CCn1c(-c2cn(C)nn2)nnc1N1CCC[C@H](C(N)=O)C1 669039833 TWHKTFOUFDPIER-JTQLQIEISA-N 316.369 -0.039 30 20 DBED CCS(=O)(=O)N1CCN(Cn2cccc(C#N)c2=O)CC1 758203071 JTHOZRCQQNIYLF-UHFFFAOYSA-N 310.379 -0.355 30 20 DBED C#CCCCCNC(=O)N1CCN(S(=O)(=O)N(C)C)CC1 758889389 RQQGGCIRXGMODZ-UHFFFAOYSA-N 316.427 -0.077 30 20 DBED C#CCNS(=O)(=O)N1CCN(CCOCC(F)F)CC1 787269916 DFPYIHQLHFGDJV-UHFFFAOYSA-N 311.354 -0.647 30 20 DBED C#C[C@H](NC(=O)C(=O)NCc1ccnc(C)n1)[C@H]1CCCO1 793763674 ZWWQLSQQAJDCAI-QWHCGFSZSA-N 302.334 -0.302 30 20 DBED N#Cc1cc(S(N)(=O)=O)ccc1NC[C@@H]1CC(C(N)=O)=NO1 808042809 BZOXOLVZKLAVTG-QMMMGPOBSA-N 323.334 -0.752 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CC[C@H](N2CCCC2)C1)[C@H]1CCCO1 809304843 RHXCPDXBOARLFA-SOUVJXGZSA-N 319.405 -0.020 30 20 DBED C#CCONC(=O)c1cnc2c(c1C)c(=O)n(C)c(=O)n2C 812783864 KOGNCDOHJRSFSI-UHFFFAOYSA-N 302.290 -0.765 30 20 DBED C=CCn1cc(CNS(=O)(=O)CCCOC(C)=O)nn1 819893281 SMMFFWCASNIRFH-UHFFFAOYSA-N 302.356 -0.163 30 20 DBED C=CCC[C@H](CO)NC(=O)C(F)(F)C(=O)N1CCOCC1 836242779 PREAFFVYGOIDDK-SNVBAGLBSA-N 306.309 -0.076 30 20 DBED CC(C)(C)C#CC(=O)NCCS(=O)(=O)N1CCOCC1 837379502 SSMUZAAAKYVILB-UHFFFAOYSA-N 302.396 -0.186 30 20 DBED C#CCn1ccc(CN(CC)[C@H]2CC(=O)N(CCCO)C2=O)n1 840740113 RNNLVPCOAMIRRB-AWEZNQCLSA-N 318.377 -0.152 30 20 DBED C[C@@H]1C(=O)N(N=Cc2ccc(S(N)(=O)=O)o2)C(=O)N1C 857216635 YTSKMCHXEHUQCF-ZCFIWIBFSA-N 300.296 -0.457 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)NCCc1ccnn1C 875307705 PQIJRUNRVYQFOC-LBPRGKRZSA-N 306.366 -0.377 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)NCC(C)(C)C(=O)NC 875596492 NWPLRRZZESMLDB-NSHDSACASA-N 311.382 -0.581 30 20 DBED COC(=O)CN(CCN1CCOCC1)c1cc(C#N)nc(C)n1 882162984 XPRLDGPTKROICL-UHFFFAOYSA-N 319.365 -0.032 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)c3ncn(C)n3)C2)cn1 937902526 HYYUNOJYXJVILE-ZDUSSCGKSA-N 324.344 -0.164 30 20 DBED C[C@H](C#N)C(=O)N1CCCN(C(=O)CCc2nc[nH]n2)CC1 940666120 FIHVXSMGRRDGBX-LLVKDONJSA-N 304.354 -0.042 30 20 DBED CO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1NC(=O)c1cnns1 941282442 LLJNMYSPAGCJGD-DJLDLDEBSA-N 309.351 -0.347 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](NC(=O)c2coc(C(N)=O)c2)C1 941635205 MDOJVCGGXBIWCK-WCBMZHEXSA-N 304.306 -0.131 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2[C@H]3C[C@H]2N(C(=O)CC(N)=O)C3)nc1 947672966 CQPIHQUQXNVIEI-JVLSTEMRSA-N 312.329 -0.733 30 20 DBED C[C@H](C#N)C(=O)N1CCC(NC(=O)[C@H]2CC(=O)N(C)C2)CC1 948106308 KKZOCFSXKNRIAP-MNOVXSKESA-N 306.366 -0.268 30 20 DBED N#CCN1CCOC2(CCN(C(=O)c3c[nH]c(=O)cn3)CC2)C1 949450591 AQJVBGFUDUPFSL-UHFFFAOYSA-N 317.349 -0.400 30 20 DBED C=CCn1cc(C(=O)N2CCN(Cc3ncnn3C)CC2)nn1 951559551 BRTPVLALDVSXDQ-UHFFFAOYSA-N 316.369 -0.449 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@H]2CNC(=O)[C@H]2C[C@H]2C(N)=O)c1 952161865 KORFNOFBEOIDTN-AXFHLTTASA-N 315.333 -0.662 30 20 DBED Cn1nc(C(=O)NC[C@@H]2CCN2C(=O)C#CC2CC2)ccc1=O 952184806 CMZAQBRRPPBGPU-LBPRGKRZSA-N 314.345 -0.476 30 20 DBED C#CCCN1C[C@@H](O)[C@@H](CNC(=O)c2cn3c(n2)COCC3)C1 958179222 KCAWIJXTZLTGPO-GXTWGEPZSA-N 318.377 -0.541 30 20 DBED C=CCCN1C[C@@H](O)[C@@H](CNC(=O)c2ccnc3[nH]nnc23)C1 958248081 FHHRLZWDXKVCEW-CMPLNLGQSA-N 316.365 -0.049 30 20 DBED CC#CCN1C[C@@H](O)[C@H](CNC(=O)c2cccc(=O)n2C)C1 958393945 AXVFJWIESBRGMN-TZMCWYRMSA-N 303.362 -0.569 30 20 DBED CC#CCN1C[C@@H](O)[C@@H](CNC(=O)c2ccc(N(C)C)nn2)C1 958598597 KQBITYKTHCTBKO-GXTWGEPZSA-N 317.393 -0.412 30 20 DBED C=CCN1C[C@H](O)[C@H](CNC(=O)c2ccc(C(N)=O)cn2)C1 958743982 DCZJYOZIVPYOCE-YPMHNXCESA-N 304.350 -0.611 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H]2CN(C(=O)[C@H]3CCC(=O)N3)C[C@H]21 963825760 AKTSQQNTVKYIBD-YVECIDJPSA-N 318.377 -0.126 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CN(C(=O)c3cnn(C)c3)CCO2)C1 965301334 DPRYNZCDSSSQFZ-LLVKDONJSA-N 317.349 -0.367 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC2(CN(C(=O)c3cccnn3)C2)C1 965468486 UFAXLZADUHUPOM-NSHDSACASA-N 315.333 -0.310 30 20 DBED C[C@H]1CCN(CC#N)C[C@H]1NC(=O)CN1CC(=O)N(C)C1=O 968541080 YBJHGSYZTKJECQ-WDEREUQCSA-N 307.354 -0.769 30 20 DBED C[C@H](NC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1)C1CN(CC#N)C1 969667348 JDIOUVXKVNARRZ-QWRGUYRKSA-N 316.365 -0.277 30 20 DBED CC#CCN1C[C@H]2CC[C@H]1CN2C(=O)[C@@H]1CCS(=O)(=O)N1 972122181 FBUUCVRSVUGTQK-XQQFMLRXSA-N 311.407 -0.623 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)[C@@]3(C)CCNC(=O)C3)C2)C1 972432095 YEWXAUGAIBVFLS-DLBZAZTESA-N 319.405 -0.161 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)CS(C)(=O)=O)C[C@H]21 974973284 DSBWXLVKVBOJKM-GMTAPVOTSA-N 313.379 -0.750 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCCN(C(=O)C(N)=O)C1 975315736 FPDDSAREMFFAST-UPJWGTAASA-N 323.393 -0.192 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]1CN(C)C(=O)c1nnc(O)nc1O 978068640 FNRGYAOFCYRPNM-SFYZADRCSA-N 320.309 -0.885 30 20 DBED C#CCN1C[C@@H]2C(CNC(=O)c3cc(C(N)=O)cn3C)[C@H]2C1 978448025 XECZKRNJLODSNH-CHWSQXEVSA-N 300.362 -0.335 30 20 DBED C#CCN1CCC(C(=O)N2CC[C@@H](N(C)[C@@H](C)C(N)=O)C2)CC1 980479416 VVWIFEWUNOPCGH-DZGCQCFKSA-N 320.437 -0.262 30 20 DBED C[C@H]1[C@@H](NCC#N)CCN1C(=O)CN1CCCS1(=O)=O 986328708 CMTYRKMWDXGTIC-QWRGUYRKSA-N 300.384 -0.876 30 20 DBED C#CCN[C@H]1CCN(C(=O)Cc2ccc(C(N)=O)nc2)[C@@H]1C 986416615 VXARGTOLFYAVBP-YPMHNXCESA-N 300.362 -0.065 30 20 DBED C[C@@H]1[C@@H](NC(=O)c2cn(C)c(=O)nc2O)CCCN1CC#N 994417991 VASLJFVEZCJIEL-KOLCDFICSA-N 305.338 -0.408 30 20 DBED C#CCNC1CCN(C(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)CC1 996501600 MPYKDNAYYOXMKE-LBPRGKRZSA-N 315.377 -0.024 30 20 DBED C[C@H](C#N)C(=O)N1CC(NC(=O)C[C@H]2CCCCC(=O)N2)C1 997231894 GXNOUCCTDCYPMY-GHMZBOCLSA-N 306.366 -0.078 30 20 DBED C=CCN1CCC([C@H](C)NC(=O)c2cn(CC(N)=O)nn2)CC1 997872352 TVXSFGZYAXWMKZ-NSHDSACASA-N 320.397 -0.220 30 20 DBED CN(C)[C@@H](Cn1cccn1)C(=O)N1CCC[C@@H](NCC#N)C1 999352055 ICLYDLHNTUDLGS-KGLIPLIRSA-N 304.398 -0.083 30 20 DBED C[C@H](NC(=O)[C@H]1CN(C)CCO1)C1CN(C(=O)C#CC2CC2)C1 1005846925 AUWWLYFLILSMDE-SWLSCSKDSA-N 319.405 -0.307 30 20 DBED C[C@H](NC(=O)[C@H]1CNC(=O)N1)C1CN(C(=O)C#CC2CC2)C1 1006750673 VURCNMOSLXPHJA-JOYOIKCWSA-N 304.350 -0.956 30 20 DBED C=C1CC(C)(C(=O)N2CCO[C@@]3(CCN(C(=O)C(N)=O)C3)C2)C1 1007718199 YTLYIDFTZLNQHC-MRXNPFEDSA-N 321.377 -0.342 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@H](CNC(=O)c3ncn(C)n3)[C@H]2C1 1009033774 PXGGAUXACSPVHB-DBIOUOCHSA-N 302.338 -0.591 30 20 DBED C[C@H](NC(=O)c1cnon1)[C@@H]1CN(C(=O)C#CC2CC2)CCO1 1009698146 UUMOFGAUWQHEQW-GWCFXTLKSA-N 318.333 -0.171 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C(=O)c2cnc3[nH]nnc3c2)CC1 1011283869 FMKDCEWYLNCRJE-SECBINFHSA-N 313.321 -0.203 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CN2CCCCS2(=O)=O)C1 1015291321 SCJRSNKDTCTCKW-CYBMUJFWSA-N 313.423 -0.374 30 20 DBED N#CCN1CC[C@@H](NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 1015354958 BHWBTKFLKPMVEK-KFWWJZLASA-N 322.409 -0.420 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2CCN(Cc3nnnn3C)C2)cn1 1016027594 RDTCADMONVGTKB-ZDUSSCGKSA-N 311.349 -0.409 30 20 DBED C[C@H]1[C@@H](NC(=O)[C@@H]2CCNC2=O)CCN1C(=O)C#CC1CC1 1020248146 GDIHHBYUINWZSJ-UHTWSYAYSA-N 303.362 -0.359 30 20 DBED C[C@H]1[C@@H](NC(=O)[C@H]2CCC(=O)N2C)CCN1C(=O)[C@H](C)C#N 1020537630 YSGSLKWOGGDGJS-NOOOWODRSA-N 306.366 -0.128 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CCN(C(=O)CCc3cnn[nH]3)[C@@H]2C1 1022745100 MBKXWERTURLBFY-NTZNESFSSA-N 316.365 -0.044 30 20 DBED C=CCCN1CC[C@H](CNC(=O)c2cn(CC(N)=O)nn2)C1 1029004279 YKFIVJNBMJIFNI-LLVKDONJSA-N 306.370 -0.609 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)c3nccnc3N)C2)C1=O 1030169479 QZFPGICEUQRVJD-LLVKDONJSA-N 316.365 -0.740 30 20 DBED C#CCCN1CCO[C@H](CNC(=O)[C@@H]2CCN(C)C(=O)C2)C1 1035420871 SJRQUZAZEIBXHA-ZIAGYGMSSA-N 307.394 -0.305 30 20 DBED CC#CCN1CCO[C@@H](CNC(=O)[C@H]2CN(C(C)C)CCO2)C1 1035483104 LSHKFSVPNVDPBV-JKSUJKDBSA-N 323.437 -0.064 30 20 DBED C#CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)Cc1c(C)nc(O)nc1O 1037634622 HKHFFGCCAQNOMY-SUZMYJTESA-N 302.334 -0.439 30 20 DBED C=CCN[C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C[C@@H]1CC 1037894559 ZIKDMNKRGAFLPD-UONOGXRCSA-N 308.426 -0.179 30 20 DBED C#CCN[C@@H]1CCN(C(=O)c2cn(C)c(=O)nc2O)C[C@@H]1CC 1037975768 VWRGENFJJLLRFF-WCQYABFASA-N 318.377 -0.051 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)C[C@@H]2CCCO2)C1 1041648931 SDSJNVNMQSYEAE-ZDUSSCGKSA-N 308.378 -0.096 30 20 DBED C=CCCCC(=O)N1CC(O)(CNC(=O)CNC(=O)C2CC2)C1 1041668392 UCNXZKLOMSRVMY-UHFFFAOYSA-N 323.393 -0.442 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)C2(C(=O)N(C)C)CC2)C1 1041959967 DPAPQOUZBUIBJB-UHFFFAOYSA-N 323.393 -0.490 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)c2c[nH]c(C#N)c2)C1 1042040165 PLDIIASZIOHHPZ-UHFFFAOYSA-N 318.333 -0.608 30 20 DBED C[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1NC(=O)[C@@H]1CCC(=O)N1 1042093262 GPJQBCBGADVIBI-OUAUKWLOSA-N 314.349 -0.432 30 20 DBED C#CCN1CC[C@@H]2CCN(C(=O)CN3C(=O)CCC3=O)C[C@H]21 1042346248 QRPINBUHWIVIBY-CHWSQXEVSA-N 303.362 -0.309 30 20 DBED CCn1nccc1C(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042959330 WMDDOERFIZPYKY-UHFFFAOYSA-N 316.361 -0.381 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)C[C@H]2CCCOC2)C1 1043144853 TZDSAXUCEFNVFR-VXGBXAGGSA-N 309.366 -0.348 30 20 DBED C=CCN1CC[C@H](N2CC(N(C)C(=O)[C@@H]3CCNC3=O)C2)C1=O 1043532971 HHQAFZRJCKZYCY-OLZOCXBDSA-N 320.393 -0.948 30 20 DBED CC[C@@H](F)C(=O)NCC1(O)CN(C(=O)c2c[nH]c(C#N)c2)C1 1044798835 DFLMQJXPEITEEH-LLVKDONJSA-N 308.313 -0.062 30 20 DBED C#CCN[C@@H]1CCN(C(=O)CN2C(=O)NC(C)(C)C2=O)[C@H](C)C1 1044845055 SDAVUDWFEXXLSC-VXGBXAGGSA-N 320.393 -0.081 30 20 DBED C=C[C@](C)(CC)C(=O)NCC1(O)CN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 1045782699 JPTZKKLMVPBICX-JRPNMDOOSA-N 323.393 -0.600 30 20 DBED C#CCN1[C@H]2CC[C@H]1CN(C(=O)c1cn(C)c(=O)nc1O)CC2 1045890584 ZCQJOFKLUOPFOH-RYUDHWBXSA-N 316.361 -0.202 30 20 DBED C#CCN1CC[C@@H](N2CCN(C(=O)[C@H]3CCNC(=O)C3)CC2)C1 1046020194 PCCMGQGOORWVGC-LSDHHAIUSA-N 318.421 -0.636 30 20 DBED CC#CCN1CC[C@@H](N2CCN(C(=O)Cc3nc[nH]n3)CC2)C1 1046076581 GPHLVWYHCUKVCT-CQSZACIVSA-N 316.409 -0.411 30 20 DBED C=CCOc1cccnc1C(=O)NCC1(O)CN(C(C)=O)C1 1046910070 UXOVLJAJLHOQCV-UHFFFAOYSA-N 305.334 -0.031 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC(=O)NC2)C1 1047439183 AIPGDLGCSVPICN-SRVKXCTJSA-N 315.801 -0.231 30 20 DBED CN(C)c1ccc(C(=O)N(C)[C@H]2CN(CC#N)C[C@@H]2O)nc1 1047643576 OOCRLXWXSPXXTO-KBPBESRZSA-N 303.366 -0.212 30 20 DBED C=CCCC(=O)N(C)[C@H]1CN(C(=O)c2ncn(C)n2)C[C@@H]1O 1048523365 MIDXVZGYUURRRN-QWRGUYRKSA-N 307.354 -0.575 30 20 DBED C=CCO[C@@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2nc[nH]n2)C1 1049196570 NOHGRFZGXSFWEL-DCAQKATOSA-N 323.353 -0.961 30 20 DBED Cc1cc(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)C#N)C2)n(C)n1 1049387889 BYKGRYMLVWXHDO-XDTLVQLUSA-N 319.365 -0.468 30 20 DBED N#Cc1ccc(N2C[C@H](n3ccnn3)[C@H](NC(=O)C3CC3)C2)nn1 1051396655 UBBLSXMMLITIJB-OLZOCXBDSA-N 324.348 -0.104 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@H](CNCc2ncnn2CCF)C1 1051495661 WGWFGZCOKAQMAM-VXGBXAGGSA-N 324.360 -0.276 30 20 DBED C#CCN1CCN([C@H]2CCN(C(=O)CCc3cnn[nH]3)C2)CC1 1052087383 UYPPIITUNTUGBR-HNNXBMFYSA-N 316.409 -0.411 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)C[C@@H]3CCC(=O)N3)CO2)C1 1053954159 JTBWEMRUEXMLBA-QWHCGFSZSA-N 305.378 -0.362 30 20 DBED N#CCN1CC[C@@]2(CCCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)C1 1054195702 BKMZCGIADJKJGL-ZENOOKHLSA-N 320.393 -0.143 30 20 DBED N#Cc1ccc(N2CCN(C(=O)[C@H]3CC[C@@H]3C(N)=O)CC2)nn1 1055974103 WORBELRECMTFKG-RYUDHWBXSA-N 314.349 -0.492 30 20 DBED N#Cc1ccc(N2CCN(C(=O)[C@H]3CNC(=O)N3)CC2)cn1 1055998581 JXKVURJGBIOPPP-GFCCVEGCSA-N 300.322 -0.717 30 20 DBED C[C@H](C#N)C(=O)N[C@]1(CO)CCCN(C(=O)c2cn[nH]c2)C1 1056093111 HBPIMTDUNRFTSQ-QMTHXVAHSA-N 305.338 -0.347 30 20 DBED N#Cc1nccc(N2C[C@H]3C(NC(=O)C4=COCCO4)[C@@H]3C2)n1 1056100795 UOUXTMMTUNELIM-NXEZZACHSA-N 313.317 -0.213 30 20 DBED Cn1ccc(C(=O)NC2[C@H]3CN(c4ccnc(C#N)n4)C[C@H]23)n1 1056226237 UFDLOUUAIGDTNK-UWVGGRQHSA-N 309.333 -0.054 30 20 DBED N#Cc1nccc(N2C[C@H]3C(NC(=O)[C@@H]4CCNC4=O)[C@@H]3C2)n1 1056355918 QUXYSMDZXVMJHM-OPRDCNLKSA-N 312.333 -0.965 30 20 DBED Cc1nn[nH]c1C(=O)NC1[C@@H]2CN(c3ccnc(C#N)n3)C[C@@H]12 1056362044 KSQGIKSDIQNFPP-RKDXNWHRSA-N 310.321 -0.361 30 20 DBED CN(c1cncc(C#N)n1)[C@H]1CCN(C(=O)c2ncn(C)n2)C1 1056910405 SUWONPCXFBSPEU-NSHDSACASA-N 312.337 -0.172 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)[C@H]1C[C@H]1OCC 1057193217 BIMICHASFGLRPJ-QWHCGFSZSA-N 314.382 -0.449 30 20 DBED C#CCCCCC(=O)N(CCO)CCNC(=O)c1cnn(C)n1 1057388295 LVNQRFFUPKWSAJ-UHFFFAOYSA-N 321.381 -0.441 30 20 DBED Cc1ccnc(C(=O)N(CCO)CCNC(=O)[C@H](C)C#N)n1 1057463999 AMDIUWROMDLBPT-SNVBAGLBSA-N 305.338 -0.505 30 20 DBED C#CCO[C@H](C)C(=O)N(CCO)CCNC(=O)C#CC(C)C 1057582952 CZDCKYRSFJDUTA-CQSZACIVSA-N 308.378 -0.379 30 20 DBED C=C(C)CCC(=O)N(CCO)CCNC(=O)CCCC(N)=O 1057807525 GZISIMGSSVLSQS-UHFFFAOYSA-N 313.398 -0.065 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)C[C@H]1CCC(=O)N1 1058073256 HMCLVFXUWIIXCH-GFCCVEGCSA-N 311.382 -0.442 30 20 DBED CN1CC[C@@H](C(=O)N[C@@H]2CCN(c3cnc(C#N)cn3)C2)C1 1058373901 SBSUDXDZHBNGAD-VXGBXAGGSA-N 300.366 -0.005 30 20 DBED C=C[C@@H](C)[C@H](C)C(=O)N(CCO)CCNC(=O)c1cn(C)nn1 1058434935 AOMVCVSAYYNOOR-NEPJUHHUSA-N 323.397 -0.176 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)c1c[nH]nc1C1CC1 1058656975 NXRAQVQPZUZRAA-SNVBAGLBSA-N 319.365 -0.003 30 20 DBED N#Cc1nccnc1N[C@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1 1058847478 GSQWVZOMAHHPGO-VHSXEESVSA-N 300.322 -0.360 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NCC[C@@H]1CCN(C(=O)C(N)=O)C1 1060282297 XIHDULKEWRFDJQ-UPJWGTAASA-N 323.393 -0.192 30 20 DBED N#Cc1ccc(NC[C@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)C2)nc1 1060972230 GKYIYGPGTUVQAT-NEPJUHHUSA-N 314.349 -0.105 30 20 DBED CC(C)N(C)CC(=O)NC[C@H]1COCCN1C(=O)[C@H](C)C#N 1061651413 OZKYNNYFOYRNMP-OLZOCXBDSA-N 310.398 -0.170 30 20 DBED C=CCO[C@H](C)C(=O)N1CCOC[C@H]1CNC(=O)c1cnn[nH]1 1061696693 AUTZXXJBQMHVBW-GHMZBOCLSA-N 323.353 -0.647 30 20 DBED Cc1nnc(CC(=O)N2CCOC[C@H]2CNC(=O)[C@H](C)C#N)o1 1061848413 QRMZYGDKOKHSBH-MWLCHTKSSA-N 321.337 -0.576 30 20 DBED CN(C(=O)[C@@H]1COC(=O)N1)[C@@H]1CCN(c2ccnc(C#N)n2)C1 1062928404 IHMLGSXRDOOHMO-ZJUUUORDSA-N 316.321 -0.506 30 20 DBED C=CCOCC(=O)NC1(CNC(=O)[C@@H]2CNC(=O)N2)CCC1 1064271407 VCEJRLFYQNYIEV-JTQLQIEISA-N 310.354 -0.975 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)[C@H](C)NC(C)=O)CCO1 1064818389 PLIZXTCPURSVMF-JSGCOSHPSA-N 323.393 -0.342 30 20 DBED CO[C@H](C)C(=O)NC[C@H]1CN(C(=O)CSCC#N)CCO1 1064880712 GNQUOUHXCLWRKM-MNOVXSKESA-N 315.395 -0.378 30 20 DBED C=CCOCC(=O)N1CCO[C@H](CNC(=O)Cc2ncc[nH]2)C1 1064972623 YSZDAOCCSIDMAK-GFCCVEGCSA-N 322.365 -0.502 30 20 DBED C#CCCCC(=O)N1CCO[C@@H](CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 1065095554 KGSJHPHTUKUUHB-XQQFMLRXSA-N 321.377 -0.745 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CCCN(C(=O)[C@@H](C)C#N)CC1 1066068347 HMWOYYFDFOODLC-STQMWFEESA-N 318.377 -0.217 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H]1CN(C(=O)c2cnon2)CCO1 1066640845 ZQVGZNQEXCRTDN-LLVKDONJSA-N 314.305 -0.289 30 20 DBED C[C@H](C#N)C(=O)N(C)CCCN(C)C(=O)c1cn(C)c(=O)cn1 1067910178 PFNGIFFCUHPGSL-LLVKDONJSA-N 319.365 -0.140 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC2(CN(C(=O)CSCC#N)C2)C1 1068452063 YBCJNTIRZQXQMG-NSHDSACASA-N 322.390 -0.157 30 20 DBED C[C@H]1[C@H](Nc2cncc(C#N)n2)CCN1C(=O)Cn1ncnn1 1068902396 YHKDODSQCCHIPR-GXSJLCMTSA-N 313.325 -0.564 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@]2(F)CCOC2)C1 1070006110 DOSRDBUYOGOETF-DYEKYZERSA-N 309.345 -0.066 30 20 DBED C=CCN1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CNC(=O)N2)C1 1070422796 IPKZZICZCASUBF-PWSUYJOCSA-N 318.381 -0.317 30 20 DBED C[C@H](C#N)C(=O)N1CCC([C@@H]2OCC[C@H]2NCC(N)=O)CC1 1071044010 BSMURJVFZFOVCT-QKCSRTOESA-N 308.382 -0.383 30 20 DBED N#CCN1CCN([C@@H]2CCCN(C(=O)C(F)F)C2)C(=O)C1 1071250957 ZJMUHLMYVFJOLK-SNVBAGLBSA-N 300.309 -0.090 30 20 DBED C=CCN1C[C@H](NC(=O)c2cn(CC(N)=O)nn2)CC[C@H]1C 1072099515 SBRCFQOENWZVQA-GHMZBOCLSA-N 306.370 -0.468 30 20 DBED C=CCOCC(=O)N1CCN(C2CN(C(=O)[C@@H](C)C#N)C2)CC1 1073554410 WHRRFSOFWPTONK-ZDUSSCGKSA-N 320.393 -0.296 30 20 DBED C[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)CC[C@H]1NC(=O)CC(N)=O 1073838583 DBROEFRSUDKXIN-GXSJLCMTSA-N 317.349 -0.271 30 20 DBED C[C@@H]1CN(C(=O)CSCC#N)CC[C@@H]1NC(=O)CC(N)=O 1073840358 SMYSMFFYJYWPQM-ZJUUUORDSA-N 312.395 -0.528 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCC1(O)CCN(C(C)=O)CC1 1074390478 XGXYFRMJDOHCIR-AWEZNQCLSA-N 307.394 -0.426 30 20 DBED CC(C)(C)C#CC(=O)N1CCC(O)(CNC(=O)CC(N)=O)CC1 1074582088 HCKDZTABEAGKDM-UHFFFAOYSA-N 323.393 -0.619 30 20 DBED C#CCN1C[C@@H]2CCN(C(=O)c3cc(C(N)=O)cn3C)[C@@H]2C1 1075993527 ZIYQLAUAKWURGQ-SMDDNHRTSA-N 300.362 -0.097 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)[C@@H](C)OCC 1076218036 SYCKFDDCIPOQNK-NWDGAFQWSA-N 311.382 -0.438 30 20 DBED C=CCCC(=O)N[C@@H](C)CCNC(=O)CCNS(C)(=O)=O 1076887534 HGIXVVSBGRFWLQ-NSHDSACASA-N 319.427 -0.097 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)c2cn([C@@H]3CCOC3)nn2)C1 1077966324 YSSRWKDRAPKKBS-YRGRVCCFSA-N 321.381 -0.410 30 20 DBED C[C@@H](CCNC(=O)[C@H](C)C#N)NC(=O)CN1C(=O)CN(C)C1=O 1078137721 HXQBRPWUFKNFBI-ZJUUUORDSA-N 323.353 -0.949 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)[C@H](C2CC2)N2CCOCC2)C1 1078213735 AFGUDMCKGWEXGB-OAGGEKHMSA-N 323.437 -0.165 30 20 DBED C#CCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)c2cnnn2C)C1 1079774538 FSMBITKYXSWTRQ-NSHDSACASA-N 319.365 -0.474 30 20 DBED CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)CN2CCOCC2)C1 1080410983 BPSVHYAGOOYUJO-GFCCVEGCSA-N 308.382 -0.462 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CO)(NC(=O)[C@@H](C)CC(N)=O)CC1 1080932328 HSMRZDAXJZIDOI-QWRGUYRKSA-N 324.381 -0.873 30 20 DBED C=C1CCC(C(=O)NC2(CO)CCN(C(=O)C(N)=O)CC2)CC1 1080993302 XDTOQBSFFMVCKG-UHFFFAOYSA-N 323.393 -0.312 30 20 DBED C#Cc1cncc(C(=O)N2C[C@H](CNC(=O)COC)[C@@H](O)C2)c1 1081185703 FJXMGQHVBHTBAG-KBPBESRZSA-N 317.345 -0.742 30 20 DBED CC(=O)NCC(=O)NC[C@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1O 1081204163 FTSTWPSAVVSXRQ-QWHCGFSZSA-N 323.393 -0.893 30 20 DBED C=C(C)CCC(=O)NC[C@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1O 1081533239 IJWFSFCDFBGSCU-NWDGAFQWSA-N 323.393 -0.456 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CCCCN1C(=O)Cn1cncn1 1082304963 BBVXHZQJSTUYBP-RYUDHWBXSA-N 304.354 -0.065 30 20 DBED CCn1nncc1CN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H](C)C#N 1083026013 KXMHZWMNOQRLKE-KWCYVHTRSA-N 318.381 -0.131 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)C(=O)N2CCC[C@@H](C)C2)C1 1083838476 XIVZPJNKPZQKKJ-MCIONIFRSA-N 307.394 -0.571 30 20 DBED C#CCN[C@H]1C[C@H](CNC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 1086442966 YCAJPXVZZGADKP-XYPYZODXSA-N 314.353 -0.575 30 20 DBED C#CCN1CC[C@H](NC(=O)CN2CCC(=O)NC2=O)[C@H]1CC 1087785572 MZLPBHIEIVCTHM-NWDGAFQWSA-N 306.366 -0.469 30 20 DBED CC#CCN1CC[C@H](NC(=O)Cn2cccc(C)c2=O)[C@H](O)C1 1090267210 ZWUNOKZHQOKCGE-LSDHHAIUSA-N 317.389 -0.269 30 20 DBED CO[C@@H](C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1O)C1CC1 1090412569 BHBZJXJLCVWWSL-JTNHKYCSSA-N 317.349 -0.561 30 20 DBED COC[C@@H](OC)C(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1C 1090820563 CXDBBWGDFCKYDS-RAIGVLPGSA-N 319.365 -0.049 30 20 DBED CC[C@H](C)OCC(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@@H]1O 1091091045 SMUBQXPOBUDLOF-UHTWSYAYSA-N 319.365 -0.171 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(c2nc(C)ns2)C[C@@H]1O 1091150676 VAGMPVBWDBCXNU-MNOVXSKESA-N 310.379 -0.448 30 20 DBED CNC(=O)NCC(=O)N[C@H]1CCN(c2ccnc(C#N)n2)[C@@H]1C 1092057431 LNCPMLCHXVPBEE-ZJUUUORDSA-N 317.353 -0.639 30 20 DBED CCCOCC(=O)N[C@@H]1CCN(c2ccc(C#N)nn2)C[C@@H]1O 1092142337 HBDRUCXDBAILEG-OLZOCXBDSA-N 319.365 -0.169 30 20 DBED CCOCCC(=O)N[C@@H]1CCN(c2ccc(C#N)nn2)C[C@H]1O 1092154128 RUEOXWJGAYORCF-CHWSQXEVSA-N 319.365 -0.169 30 20 DBED CNC(=O)NCC(=O)NC1[C@@H]2CN(c3ccc(C#N)cn3)C[C@@H]12 1093360951 KOTBWRXFPXLSPM-GHMZBOCLSA-N 314.349 -0.567 30 20 DBED N#Cc1nc(=NCCNC(=O)Cc2ccc(C(N)=O)cc2)cc[nH]1 1093690395 LDRIDPQNAPIZFZ-UHFFFAOYSA-N 324.344 -0.360 30 20 DBED C[C@H](C(=O)NCCNc1nccnc1C#N)[C@@H]1CCC(=O)N1 1094132891 IGKGMEZFAAQTKZ-UWVGGRQHSA-N 302.338 -0.209 30 20 DBED C=C(C)CN1CC(n2cc(CNC(=O)[C@H]3COC(=O)N3)nn2)C1 1094287219 FWIHJGCVHCUMRO-GFCCVEGCSA-N 320.353 -0.565 30 20 DBED N#Cc1c[nH]ccc1=NCCCNC(=O)[C@@H]1CCNC(=O)C1 1094381606 CDZGWSNOGQJNOA-LLVKDONJSA-N 301.350 -0.180 30 20 DBED N#Cc1nc(=NCCCNC(=O)[C@H]2CCCNC2=O)cc[nH]1 1094628340 SBYATWNXEQUDJC-JTQLQIEISA-N 302.338 -0.785 30 20 DBED N#Cc1c[nH]ccc1=NCCCNC(=O)[C@@H]1CC[C@@H]1C(N)=O 1094704228 XKIZNFUOWDAZKS-NWDGAFQWSA-N 301.350 -0.195 30 20 DBED C#CCCN1CC(N2C[C@@H](NC(=O)C3=CCOCC3)CC2=O)C1 1094730503 CRUGBWOUPOMFNM-AWEZNQCLSA-N 317.389 -0.242 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)c3cccnn3)CC2=O)C1 1094798804 BSZYHCUNXFQUQP-LLVKDONJSA-N 301.350 -0.323 30 20 DBED C#CCNC(=O)CC(=O)N1CCCN(c2cnc(F)cn2)CC1 1095177519 WPGOHIGLPRZMTD-UHFFFAOYSA-N 319.340 -0.206 30 20 DBED CN(CCCNC(=O)Cc1nc[nH]n1)c1cncc(C#N)n1 1095637023 SQDHEXLJSOKKHN-UHFFFAOYSA-N 300.326 -0.348 30 20 DBED COC(=O)NCC(=O)N[C@H]1C[C@@H](Nc2cnc(C#N)cn2)C1 1097148523 YHZCDTMYITVXJB-DTORHVGOSA-N 304.310 -0.237 30 20 DBED N#Cc1cncc(NC[C@@H]2CCCCN2C(=O)CNC(N)=O)n1 1097473358 MZQPTLNOJMICFG-NSHDSACASA-N 317.353 -0.190 30 20 DBED C[C@H](NC(=O)C(N)=O)[C@H]1CCCN(c2ccnc(C#N)n2)C1 1097548238 SCZDSGQCNXUXOH-UWVGGRQHSA-N 302.338 -0.445 30 20 DBED N#CCNCc1cn([C@@H]2CCN(C(=O)CC3(O)CCC3)C2)nn1 1098668936 CTUKZYOOBAQAKL-CYBMUJFWSA-N 318.381 -0.030 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)Cc2cncnc2)[C@@H](O)C1 1099796492 DMGPIGIMYYCCIC-CABCVRRESA-N 318.377 -0.780 30 20 DBED C#CCC1(C(=O)N[C@@H]2CCN(CCCO)C[C@@H]2O)CCOCC1 1099874788 QVXRHAYGOVVSAA-CABCVRRESA-N 324.421 -0.260 30 20 DBED CC(C)(CN1CCOCC1)C(=O)N[C@@H]1CCN(CC#N)C[C@H]1O 1099892912 RHRJAAHHIWQXFH-ZIAGYGMSSA-N 324.425 -0.580 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)CCCC=C)[C@@H](O)C1 1099973261 ANMWGVIXZBGCET-KBPBESRZSA-N 307.394 -0.357 30 20 DBED CC#CCN1CC[C@H](NC(=O)CCN2CCOCC2)[C@H](O)C1 1100036779 MWYPVFJUTGNZSO-LSDHHAIUSA-N 309.410 -0.717 30 20 DBED C#CCCN1CC[C@H](NC(=O)COC2CCN(C)CC2)[C@@H](O)C1 1100055981 MLNFNRDHSRFGGJ-HOTGVXAUSA-N 323.437 -0.328 30 20 DBED C[C@H](CC(N)=O)C(=O)NC[C@H]1CCCN1c1ccnc(C#N)n1 1100886709 OFFAFEYTOWXPKE-GHMZBOCLSA-N 316.365 -0.055 30 20 DBED CCCN(CCNC(=O)Cn1cnnn1)c1ccc(C#N)nc1 1101083633 NBJOOAAKBHCCCI-UHFFFAOYSA-N 314.353 -0.027 30 20 DBED Cc1cc(C#N)nc(NCCN(C)C(=O)Cn2cnnn2)n1 1101495605 RPFLQKQEYSFWJW-UHFFFAOYSA-N 301.314 -0.786 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)CCNC(N)=O)c3nccn32)C1 1101652463 ILRXJSSDFDHTDT-JTQLQIEISA-N 317.353 -0.963 30 20 DBED CN(CCNc1nccnc1C#N)C(=O)C[C@H]1CC(=O)NC1=O 1101680562 RREAVMFVTYSELD-SECBINFHSA-N 316.321 -0.729 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)c2cnccn2)C1 1101682794 AGIAEITZSPUMEL-CHWSQXEVSA-N 315.377 -0.476 30 20 DBED C#CCOCCC(=O)NCC[C@@H]1CN([C@@H](C)C(N)=O)C[C@H]1C 1102974379 YYPUEEOTVRKNDI-HZSPNIEDSA-N 309.410 -0.026 30 20 DBED CC(C)[C@@H](CNC(=O)CNC(N)=O)N=c1cc[nH]cc1C#N 1105106270 PUGCRCOOGNIGFS-GFCCVEGCSA-N 304.354 -0.404 30 20 DBED COCCCNCc1cn(C2CN(C(=O)[C@@H](C)C#N)C2)nn1 1105189350 BVFLBXMMCLVPMI-NSHDSACASA-N 306.370 -0.053 30 20 DBED CC(C)[C@H](CNC(=O)[C@@H]1CNC(=O)N1)Nc1nccnc1C#N 1105277991 QZTAKKVZBHTRQB-QWRGUYRKSA-N 317.353 -0.418 30 20 DBED Cc1[nH]nc(C(=O)NC[C@@H](O)CNc2cncc(C#N)n2)c1O 1105822025 HTAUZSZTTQOOPK-VIFPVBQESA-N 317.309 -0.712 30 20 DBED Cc1nsc(NC[C@H](O)CNC(=O)Cn2cncn2)c1C#N 1105838955 JHOULFZDASALPT-SECBINFHSA-N 321.366 -0.496 30 20 DBED N#Cc1cccnc1NC[C@H](O)CNC(=O)c1c[nH]c(=O)cn1 1106091015 IVMIWVGGMVYNIS-JTQLQIEISA-N 314.305 -0.761 30 20 DBED C[C@@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)[C@H]1CCNC1=O 1106516654 VQTGBCGLSVAEIK-UWVGGRQHSA-N 302.338 -0.787 30 20 DBED C#CCCN1CCO[C@](C)(CNC(=O)C[C@@H](C)NC(N)=O)C1 1107942477 TVOLPPAIANWQCY-IUODEOHRSA-N 310.398 -0.336 30 20 DBED C[C@H](CNc1cncc(C#N)n1)NC(=O)[C@H]1CCCC(=O)N1 1107981119 DPVWQBNMGKEYMZ-MWLCHTKSSA-N 302.338 -0.066 30 20 DBED C=CCOCCN1CCO[C@@](C)(CNC(=O)c2cnn[nH]2)C1 1108046597 VURDPMGNAHSODV-AWEZNQCLSA-N 309.370 -0.172 30 20 DBED Cc1ccc(C#N)c(NC[C@@H](C)NC(=O)[C@H]2CNC(=O)N2)n1 1108076119 NDJUUKOHXJJRKG-MWLCHTKSSA-N 302.338 -0.140 30 20 DBED C[C@H](CNc1nccnc1C#N)NC(=O)[C@H]1C[C@H]1C(=O)N(C)C 1108111686 PRRLIXSTYNVMPU-OUAUKWLOSA-N 316.365 -0.011 30 20 DBED COCCn1cc(C(=O)NC[C@@]2(C)CN(CC#N)CCO2)cn1 1108371484 WKRDNFHYLSLFCG-HNNXBMFYSA-N 321.381 -0.126 30 20 DBED C=CCC[C@H](C)N1CC(N2C[C@@H](NC(=O)CC(N)=O)CC2=O)C1 1108524795 CKFJSXKBYALYQM-RYUDHWBXSA-N 322.409 -0.382 30 20 DBED CCC[C@H](OC)C(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1 1108560570 LDDSPSRFQZJTOE-YPMHNXCESA-N 308.382 -0.274 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cnns1 1108979422 CCYOCZANYOQNFO-VWYCJHECSA-N 319.390 -0.377 30 20 DBED CCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1109034105 JTKDTPMSVOKADH-AGIUHOORSA-N 308.382 -0.226 30 20 DBED CNC(=O)CC(=O)N[C@@H]1[C@H]2C[C@H]1N(c1ccnc(C#N)n1)C2 1109699939 UYGBMWXACJLPTF-ATEUNZGCSA-N 300.322 -0.822 30 20 DBED N#Cc1nc(=NC[C@@H](NC(=O)CCCC(N)=O)C2CC2)cc[nH]1 1109866180 TZFRCPNWVDJXOG-LLVKDONJSA-N 316.365 -0.268 30 20 DBED N#Cc1ccc(NC2(CNC(=O)[C@H]3CC[C@@H]3C(N)=O)CC2)nn1 1110300348 VYWWBWJIVXIDFI-QWRGUYRKSA-N 314.349 -0.080 30 20 DBED CNC(=O)CC(=O)NC1(C)CCN(c2cncc(C#N)n2)CC1 1110585311 GMEOPLXQKKBEOO-UHFFFAOYSA-N 316.365 -0.041 30 20 DBED CC1(CNC(=O)C(N)=O)CCN(c2nccnc2C#N)CC1 1110893093 XHCZIMUPCIJZEF-UHFFFAOYSA-N 302.338 -0.444 30 20 DBED N#Cc1c[nH]ccc1=NC1(CNC(=O)CC(N)=O)CCOCC1 1110979541 PMNZDVQMVBRGFB-UHFFFAOYSA-N 317.349 -0.672 30 20 DBED CO[C@H](C)C(=O)N(C)[C@H]1CN(c2ncccc2C#N)C[C@@H]1O 1111171197 UGYIFMKICBBXJL-WXHSDQCUSA-N 304.350 -0.004 30 20 DBED COCC(=O)N[C@]1(CO)CCCN(c2ccc(C#N)nn2)C1 1111336173 KGPWVENEORKJBN-CQSZACIVSA-N 305.338 -0.558 30 20 DBED N#Cc1ccc(NCCN(CCO)C(=O)c2cnns2)nn1 1111425309 DDSBMLCBQNCHJU-UHFFFAOYSA-N 319.350 -0.254 30 20 DBED N#Cc1nc(=NCCN(CCO)C(=O)c2ccon2)cc[nH]1 1111438060 HXNSGYUBPVVGPW-UHFFFAOYSA-N 302.294 -0.695 30 20 DBED N#Cc1cncc(NCC[C@@H]2CCN(C(=O)CNC(N)=O)C2)n1 1111594410 XJXDCJRFSNBWQV-SNVBAGLBSA-N 317.353 -0.333 30 20 DBED COCCC(=O)NC1(CO)CCN(c2nccnc2C#N)CC1 1112645328 GXDNHMNSPDEDMQ-UHFFFAOYSA-N 319.365 -0.168 30 20 DBED CCCC(=O)NCC(=O)N[C@H](C)[C@@H](C)N=c1cc[nH]c(C#N)n1 1112920278 CPAARUNOBRPRIQ-GHMZBOCLSA-N 318.381 -0.008 30 20 DBED C[C@H](Nc1cnc(C#N)cn1)[C@@H](C)NC(=O)c1nnn(C)n1 1113258185 BFSWPHPQTKAYDB-JGVFFNPUSA-N 301.314 -0.509 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](C)N(C)c1ncnc2c1nnn2C 1113537325 LPZKWOFFVLBUMX-RKDXNWHRSA-N 302.342 -0.141 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)c3ccnn3CC)[C@@H]2C1 1114174774 ZSJGJNYTYOOHKC-VXGBXAGGSA-N 315.377 -0.688 30 20 DBED N#Cc1cncc(N2C[C@H]3C(CNC(=O)Cn4cncn4)[C@@H]3C2)n1 1114549234 FXPZBWJTDMOGQH-STQMWFEESA-N 324.348 -0.562 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3conc3CC)[C@H]2C1 1114787921 ZHXPYQXHOFLAJF-QWRGUYRKSA-N 316.361 -0.354 30 20 DBED C=CCCOCC(=O)NC1[C@H]2CN(CC(=O)NCC=C)C[C@H]12 1115324192 MJTABWVIGYUTAB-STQMWFEESA-N 307.394 -0.072 30 20 DBED C=CCCOCC(=O)N[C@H]1[C@@H]2CN([C@H]3CCCNC3=O)C[C@@H]21 1115326798 SZVITVQWTMOXSH-SFDCQRBFSA-N 307.394 -0.096 30 20 DBED COc1cc(C(=O)NCC#CCO)cc(OC)c1OCC(N)=O 1116964969 DYOKWVPBUVHEMU-UHFFFAOYSA-N 322.317 -0.707 30 20 DBED C=CCOCCNC(=O)C(=O)N1CCN(CC(C)(C)O)CC1 1118385239 XSLWEAWZUABDDE-UHFFFAOYSA-N 313.398 -0.780 30 20 DBED C#CCOCCn1nnnc1N1CCC[C@@H](NC(=O)N(C)C)C1 1120161047 XDPMWJLLSKKIPL-GFCCVEGCSA-N 321.385 -0.437 30 20 DBED CCn1cccc1C(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1 1121642179 SFHGQRFZYZAWKV-NSHDSACASA-N 314.349 -0.206 30 20 DBED Cc1nonc1C(=O)NC[C@@H](CO)Nc1cnc(C#N)cn1 1121733285 BASGHQZUWJHJPN-VIFPVBQESA-N 303.282 -0.758 30 20 DBED N#Cc1cccnc1N[C@H](CO)CNC(=O)[C@@H]1CCC(=O)N1 1121818456 KWBWIOARXKXZGA-QWRGUYRKSA-N 303.322 -0.879 30 20 DBED C#C[C@H](C)N(C)c1nnc(-c2cn(C)c(=O)n(C)c2=O)n1CC 1121870704 FZIQRZGABYKHDZ-JTQLQIEISA-N 316.365 -0.180 30 20 DBED C=C(C)Cn1c(CO)nnc1N1CCN(CC(=O)NCC)CC1 1122457893 AKJMOYFGOTWQLR-UHFFFAOYSA-N 322.413 -0.395 30 20 DBED C[C@H](C#N)C(=O)N(C)C[C@@H](O)CN=c1ccc2ncc[nH]c-2n1 1124190733 IZHVFPVDYOIVIX-MNOVXSKESA-N 314.349 -0.211 30 20 DBED CN(C[C@@H](O)CNc1ccc(C#N)nc1)C(=O)c1nnn(C)n1 1124649122 LSRIAGYVFJAVNJ-NSHDSACASA-N 316.325 -0.978 30 20 DBED CCC[C@H](OC)C(=O)N(C)C[C@@H](O)CN=c1cc[nH]c(C#N)n1 1124673070 YHAPTSYFXBPGRY-RYUDHWBXSA-N 321.381 -0.184 30 20 DBED CC(C)CNC(=O)NC(=O)CNCCNC(=O)C#CC1CC1 1126881331 PBRKNQBNJGINES-UHFFFAOYSA-N 308.382 -0.413 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)[C@@H]2CC(=O)N(CC)C2)C1=O 1128649191 CHWVPCACCPFFRR-OLZOCXBDSA-N 322.409 -0.653 30 20 DBED C#CCC1(C(=O)NCCNCc2cnn(C)n2)CCOCC1 1129116576 BYAISIQKHMVEGV-UHFFFAOYSA-N 305.382 -0.159 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)COCCOC)C[C@@]3(C1)O2 1131210000 NMYISQMULKMOOT-IIAWOOMASA-N 308.378 -0.416 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)[C@@H]1CCC(=O)N1C 1132520101 ZDIBAXUNQSCXHG-LBPRGKRZSA-N 323.397 -0.925 30 20 DBED C[C@@H]1CCN(C(=O)C(F)F)C[C@@H]1CNCC(=O)NCC#N 1132573062 WQRCSUPUHVSOIB-ZJUUUORDSA-N 302.325 -0.035 30 20 DBED Cc1cnc(C(=O)N[C@H](C)C[C@@H](C)NCC(=O)NCC#N)cn1 1133579064 XTNFRKYDWDQDMG-GHMZBOCLSA-N 318.381 -0.089 30 20 DBED C[C@H](C[C@@H](C)NC(=O)c1ccnc(O)c1)NCC(=O)NCC#N 1134073452 RTQKWDCFBYPYON-GHMZBOCLSA-N 319.365 -0.087 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)C[C@@H](C)NCc1cncn1C 1134130915 OFEICPRTBVLAHY-OLZOCXBDSA-N 319.409 -0.068 30 20 DBED COCC#CCNCCNC(=O)CN1C(=O)Cc2ccccc21 1134370406 GDOWLILJJGCEKZ-UHFFFAOYSA-N 315.373 -0.069 30 20 DBED COCC#CCN[C@H](C)C[C@@H](C)NC(=O)C(=O)NCC(F)F 1134819953 FZQYIBUUPDVLDW-GHMZBOCLSA-N 319.352 -0.110 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)[C@@H]1CCO[C@H]1C 1135782579 FWAUZAUEJNZACD-WDEREUQCSA-N 312.370 -0.871 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)C(=O)N1CCC[C@H]1CC 1147022842 SSPSBIMMSWWTSU-CHWSQXEVSA-N 322.409 -0.769 30 20 DBED C#CCCCC(=O)N1CC2(CCN([C@@H](C)C(=O)NC(N)=O)C2)C1 1147461950 ISFGPJHPBSVUOL-LBPRGKRZSA-N 320.393 -0.092 30 20 DBED C=CCNC(=O)CN(CC)[C@H](C)CNC(=O)c1cn(C)c(O)n1 1155046056 FHUUWXGAVOQGGC-LLVKDONJSA-N 323.397 -0.132 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)c1nonc1C 1157297889 CWZODMUXBVMOKO-SNVBAGLBSA-N 307.354 -0.432 30 20 DBED C[C@H](C#N)C(=O)N1CCCC[C@@H]1CN(C)CC(=O)NC(N)=O 1157696309 SPVAGUSWOYIGPD-GHMZBOCLSA-N 309.370 -0.346 30 20 DBED COCC#CCNCCN(CCc1ccccc1)C(=O)C(N)=O 1162906903 SKKKVQOYKZUCPM-UHFFFAOYSA-N 317.389 -0.218 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCC1(CNCc2nnn(C)n2)CC1 1164302894 BNTPIOUNQDVLMH-CQSZACIVSA-N 322.413 -0.087 30 20 DBED C#CCCNCC1(CCNC(=O)CC[C@H]2NC(=O)NC2=O)CC1 1168051985 IQTMSXNSMBTHMP-GFCCVEGCSA-N 320.393 -0.126 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@H]1CCC[C@H](N(C)C)C1 1171161591 OXZLPSOMFLCTFV-GJZGRUSLSA-N 322.453 -0.048 30 20 DBED N#CCN1CCO[C@@H]2CCN(C(=O)CNC(=O)C3CCC3)C[C@H]21 1177158578 YLWOOPMPBWIJTG-ZIAGYGMSSA-N 320.393 -0.272 30 20 DBED C=CCCN[C@@H]1CCN(C(=O)CN2CCCS2(=O)=O)C1 1183054970 KTDHMNQVEBPKCZ-GFCCVEGCSA-N 301.412 -0.212 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2ccn(C)n2)C1 1187834378 BRKYBPHBYBRIJZ-VXGBXAGGSA-N 303.366 -0.638 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)Cc2ccc(C)nc2)C1 1187851412 RMIFNGCIIJTLSK-OAHLLOKOSA-N 314.389 -0.128 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](N(C)Cc2nc(C)no2)C1 1189760227 JCGVESDPEHVUOT-GFCCVEGCSA-N 319.365 -0.450 30 20 DBED CN(CC(=O)NCC#N)[C@@H]1CCN(C(=O)c2ccsn2)C1 1190846174 CPSCIXSMFGSOTA-SNVBAGLBSA-N 307.379 -0.071 30 20 DBED CN(CC#N)[C@@H]1CCN(C(=O)CCCn2c(O)nnc2O)C1 1191050562 IVFHMWFKAWQXPE-SNVBAGLBSA-N 308.342 -0.474 30 20 DBED C=CCCO[C@H](C)C(=O)N[C@@H]1CN(CC#CCOC)C[C@H]1O 1191614863 PJVHNFCDNWZXGH-RBSFLKMASA-N 310.394 -0.221 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(CCc2cnn(C)c2)C[C@H]1O 1192530283 MJQDACBDEVEKFJ-IIAWOOMASA-N 322.409 -0.549 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(CCc2cnn(C)c2)C[C@H]1O 1192762253 SVNAFUAHGGULFS-HUUCEWRRSA-N 304.394 -0.217 30 20 DBED C=CCC(CC=C)C(=O)N[C@@H]1CN([C@H]2CCNC2=O)C[C@H]1O 1193231825 NFCXEOUYLXWZFF-HZSPNIEDSA-N 307.394 -0.195 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)CCN2C(=O)CCC2=O)C1 1194524178 VUALUXQJBNEPOH-VXGBXAGGSA-N 309.366 -0.737 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C2(CCF)CC2)C1 1194899896 LPFVGZMFTXXFHR-VXGBXAGGSA-N 313.373 -0.410 30 20 DBED N#CCNC(=O)CN1CCCN(C(=O)[C@H]2CCCOCC2)CC1 1195640461 YPQZXOQRPCSTJX-AWEZNQCLSA-N 322.409 -0.023 30 20 DBED C#CCOCCC(=O)N1CCCN(CC(=O)NCC=C)CC1 1195824620 ZATDRHPNWVDXPF-UHFFFAOYSA-N 307.394 -0.137 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCCN(C[C@@H](O)COC)CC1 1196191905 PPWKDFVKXBHIJS-CVEARBPZSA-N 323.437 -0.374 30 20 DBED C#CCN1CCCN(C(=O)CNS(=O)(=O)CCCC)CC1 1197984976 VNGOHIYSRFRQPA-UHFFFAOYSA-N 315.439 -0.127 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)[C@H](C)NC(C)=O)CC1 1199194511 DRUSKPDGOPZNKN-NSHDSACASA-N 310.398 -0.606 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)CN(C)Cc2ccccc2)C1 1199377789 MDWBIULERHINPO-HZPDHXFCSA-N 301.390 -0.087 30 20 DBED C=CCCC(=O)N1CCCO[C@H](CNCc2nc(=O)n(C)[nH]2)C1 1200083185 BQXRCRFWFGEWKO-GFCCVEGCSA-N 323.397 -0.218 30 20 DBED C#CCCNC[C@H]1CN(C(=O)C2CN(C(C)=O)C2)CCCO1 1200352761 WLISQDVDQDRSLF-HNNXBMFYSA-N 307.394 -0.305 30 20 DBED COc1nccc(C(=O)N2CCCO[C@H](CNCC#N)C2)n1 1200937215 FXMXXGNCCXIIMU-LLVKDONJSA-N 305.338 -0.171 30 20 DBED C=CCCNC1CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)CC1 1202789092 QMYWRKZIMUPLJW-ZDUSSCGKSA-N 310.398 -0.477 30 20 DBED CC(C)NC(=O)CN(C)CC(=O)N1CCC[C@H](NCC#N)C1 1208495423 ZKHOKJPNHKUQPD-ZDUSSCGKSA-N 309.414 -0.453 30 20 DBED C=CCCN[C@H]1CCCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 1211112413 IOFLNFOUHNZLFW-NWDGAFQWSA-N 301.412 -0.165 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(CC(=O)N(C)C)C[C@H]1OC 1212194790 XHRKTAHYBGCRQY-LALPHHSUSA-N 313.398 -0.783 30 20 DBED CCO[C@@H](CC)C(=O)N1C[C@@H](NCC(=O)NCC#N)[C@H](C)C1 1214255536 ZLZONWLIYUIBEE-UPJWGTAASA-N 310.398 -0.122 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)c2cncnc2)C[C@H]1C 1214491446 XFLNSOSDDLDAOC-DGCLKSJQSA-N 301.350 -0.724 30 20 DBED C=CCC[C@@H](C)N1C[C@H](O)[C@H](NC(=O)Cn2cnnc2O)C1 1219478482 YTSSKKPPPWXFML-UTUOFQBUSA-N 309.370 -0.500 30 20 DBED C#CCC1(C(=O)N[C@@H]2CN(Cc3cnon3)C[C@@H]2O)CCC1 1219785392 MYPRWROOBUZTRH-OLZOCXBDSA-N 304.350 -0.076 30 20 DBED CC(=O)N[C@@H](C(=O)N[C@@H]1CN(CC#N)C[C@@H]1O)C1CCCC1 1219973902 YNDPVBHZTGQCPZ-HZSPNIEDSA-N 308.382 -0.634 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)[C@H](CCC)S(N)(=O)=O)C1 1220068866 QQJVCJHRCRZOLA-WOPDTQHZSA-N 319.427 -0.819 30 20 DBED COCC#CCN1CCC(CNC(=O)Cc2nc[nH]n2)CC1 1225135210 IQRSRUDEFBASPC-UHFFFAOYSA-N 305.382 -0.175 30 20 DBED Cc1cn(C)nc1C(=O)NC1CCN(CC(=O)NCC#N)CC1 1227252764 QJXYOEYEKOBRPF-UHFFFAOYSA-N 318.381 -0.438 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCNC1=O 1227940824 NUDJSAVWGSIYHL-JHJVBQTASA-N 322.409 -0.558 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)c1cncnc1O 1235651288 HCFZWXGJZMHGCW-LLVKDONJSA-N 317.349 -0.922 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCCN(CC(F)F)CC1 1260309637 NYTQDPNFUDVOCG-UHFFFAOYSA-N 317.336 -0.448 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N[C@H]2CCC[C@H]2CCO)nn1 1261448602 ZVARVPKEQHNGNN-AAEUAGOBSA-N 321.381 -0.252 30 20 DBED C=C(C)COCCNC(=O)C(=O)N1CCN(C(=O)C2CC2)CC1 1323604605 XQJOAJPSYSRRSL-UHFFFAOYSA-N 323.393 -0.224 30 20 DBED C=C(C)COCCNC(=O)C(=O)N[C@@H]1C[C@H]2CCCCN2C1=O 1326359699 KSBASQXDVFKLDG-CHWSQXEVSA-N 323.393 -0.035 30 20 DBED C=CCCCNC(=O)C(=O)N1CCC([C@H](O)C(=O)OC)CC1 1327138134 PJMWTWQZDDWWPK-LBPRGKRZSA-N 312.366 -0.159 30 20 DBED C=CCOCCNC(=O)C(=O)N(C)[C@H](C)CS(=O)(=O)CC 1327926139 FVEUCKGOZFEIJL-LLVKDONJSA-N 320.411 -0.413 30 20 DBED C=CCN(C(=O)C(=O)NCC1(CC(N)=O)CC1)[C@H](C)COC 1328523608 CHMKHPKLTJEYAY-LLVKDONJSA-N 311.382 -0.192 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)NC[C@@H]2CCCNC2)CCN1C1CC1 1331187533 VPVBJTVUMWCTCJ-OCCSQVGLSA-N 319.409 -0.699 30 20 DBED CN(CC1(N(C)C)CCC1)C(=O)C(=O)N1CC[C@](O)(CC#N)C1 1332374309 ZWCNKDGZDOFAFL-MRXNPFEDSA-N 322.409 -0.194 30 20 DBED C=CCn1c(N(C)CC(=O)N2CCOCC2)nnc1C1(O)CC1 1338973119 CCUNNTHOJDVKPW-UHFFFAOYSA-N 321.381 -0.260 30 20 DBED Cc1nn[nH]c1NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1361912820 LPYSHLWAXLUNFL-UHFFFAOYSA-N 320.334 -0.210 30 20 DBED Cc1c(NC(=O)CCn2cc(C#N)c(O)nc2=O)nnn1C 1362740339 RGSFOFSVWRCQIX-UHFFFAOYSA-N 303.282 -0.714 30 20 DBED Cc1cc(F)cc(C#N)c1S(=O)(=O)N1C[C@@H](O)[C@@H](CO)C1 1364002997 OFMGDHNPSFXFKX-ZYHUDNBSSA-N 314.338 -0.021 30 20 DBED C[C@@H]1OCC[C@@]12CN(c1[nH]c(=O)n(C)c(=O)c1C#N)C[C@@H](C)O2 1364180387 ORJNCCWVUHHWLM-HFBDOXOYSA-N 320.349 -0.282 30 20 DBED N#CC[C@]1(O)CCN(C(=O)NC[C@H]2CCS(=O)(=O)C2)C1 1364212616 WHFQCIYBEUCFMO-PWSUYJOCSA-N 301.368 -0.519 30 20 DBED N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)c1cnnc(O)c1 1364418676 KKFDRABDVNNQQQ-UHFFFAOYSA-N 315.293 -0.134 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CN(C)C(=O)c1csc(O)n1 1383064619 PCRYHBMRLQCYBX-JGVFFNPUSA-N 312.351 -0.443 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)[C@@H](NC(N)=O)C(C)(C)C)C1 1385940361 HAPXSCVKUADRDR-GWOFURMSSA-N 323.397 -0.008 30 20 DBED Cc1cc(=O)c(C(=O)NC[C@@H](O)CNC(=O)[C@H](C)C#N)c[nH]1 1389127526 MYNVRISVOLKDEK-SCZZXKLOSA-N 306.322 -0.950 30 20 DBED N#Cc1cn(CC(=O)N[C@H]2CCN3CCCC[C@@H]23)c(=O)nc1O 1411640731 DFMSOWZQYAQXJG-RYUDHWBXSA-N 317.349 -0.436 30 20 DBED CC(C)[C@H](CNC(=O)c1cn(C)c(=O)n1C)NC(=O)[C@H](C)C#N 1416595130 OVOVLJRVSFQIGY-MNOVXSKESA-N 321.381 -0.246 30 20 DBED N#Cc1cn(CC(=O)N[C@H]2CCc3n[nH]cc3C2)c(=O)nc1O 1417687558 UOIUKENHPKSJGR-JTQLQIEISA-N 314.305 -0.783 30 20 DBED CN(CCNC(=O)[C@H]1CCC(=O)N1C)C(=O)c1cc(C#N)c[nH]1 1429436485 CQDPCRDNAWVSKR-GFCCVEGCSA-N 317.349 -0.305 30 20 DBED CNC(=O)NCCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)C#N 1432495052 AZAUUFXBJYTQMM-DCAQKATOSA-N 307.354 -0.723 30 20 DBED COCCN(CCNC(=O)[C@@H](C)C#N)C(=O)Cn1cncn1 1452152983 VXTPUTYLXZAULJ-NSHDSACASA-N 308.342 -0.971 30 20 DBED CS(=O)(=O)c1ccc(C(=O)N2CC[C@@](O)(CC#N)C2)cn1 1452241944 DXXWCFMACFNXIF-ZDUSSCGKSA-N 309.347 -0.024 30 20 DBED CC[C@H](NC(C)=O)C(=O)NCCN(C)C(=O)c1c[nH]c(C#N)c1 1455493398 JJJAIJFLRPZGRD-ZDUSSCGKSA-N 319.365 -0.011 30 20 DBED C[C@H](CN(C)C(=O)CCn1ncn(C)c1=O)NC(=O)[C@H](C)C#N 1487840662 SHMFHFSPNOHQEN-GHMZBOCLSA-N 322.369 -0.905 30 20 DBED CNC(=O)c1cccc(C(=O)NCCN(C)C(=O)[C@H](C)C#N)n1 1528514268 UPDNWCAZTYWYCL-SNVBAGLBSA-N 317.349 -0.211 30 20 DBED C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCNCC1 1574953690 FLYZNHKVMSYLSW-LLVKDONJSA-N 311.411 -0.224 30 20 DBED CNC[C@H](O)[C@@H](C)C(=O)N1CCN(c2ncccc2C#N)CC1 1578641653 VWJCYOVBQBZRTE-OCCSQVGLSA-N 317.393 -0.182 30 20 DBED N#Cc1nc(N2CC[C@](O)(C(F)F)C2)cnc1-c1nn[nH]n1 1581878722 YTKQRCUUMJMKNL-LLVKDONJSA-N 308.252 -0.265 30 20 DBED C#C[C@H]1CCCN(c2[nH]c(=O)n(C)c(=O)c2-c2nn[nH]n2)C1 1588332381 JHCHQDLDMYFBQZ-QMMMGPOBSA-N 301.310 -0.897 30 20 DBED C#CCN(CC(=O)O)C(=O)C(=O)Nc1cc(C2CC2)nn1C 1588395419 MDHKWVTXJJQJDG-UHFFFAOYSA-N 304.306 -0.218 30 20 DBED C#CC[C@H](NC(=O)[C@@H](C)n1cnc2c(N)ncnc21)C(=O)O 1588399668 WYNWLSUAKLIHKR-SFYZADRCSA-N 302.294 -0.438 30 20 DBED C=CCCC(=O)NCCN1CCN(C(=O)[C@@H]2C[C@H]2C(=O)O)CC1 1588776772 GERISOUVZPLVPL-CHWSQXEVSA-N 323.393 -0.066 30 20 DBED C=CCn1cc(CNC(=O)N2C[C@@H](O)C[C@@H](C(=O)O)C2)nn1 1588908957 BTQMCTCFVFEOAB-KOLCDFICSA-N 309.326 -0.559 30 20 DBED CN(CC(C)(C)CNCC(=O)NCC#N)C(=O)[C@@H]1C[C@H]1C(=O)O 1598423552 HTYYQMSTZAXZED-GHMZBOCLSA-N 324.381 -0.579 30 20 DBED CN1CCN(C(=O)Cc2ccc(C#N)nc2)C[C@@H](C(=O)O)C1 1598607986 WWRNUVIPYQAYGE-LBPRGKRZSA-N 302.334 -0.029 30 20 DBED Cc1ncc(S(=O)(=O)NC(C)(C)[C@H](O)C(=O)O)cc1C#N 1610566004 ZCSPJRKAXZTOBS-SNVBAGLBSA-N 313.335 -0.236 30 20 DBED CS(=O)(=O)N1CCC(C(=O)N2CC(O)(CC#N)C2)CC1 1649769445 RQZYNIWUMJTZJR-UHFFFAOYSA-N 301.368 -0.855 30 20 DBED N#CCNC(=O)CNC[C@H]1CCCCN1C(=O)c1cnon1 1700129326 QSOYWAURXZCZEI-SNVBAGLBSA-N 306.326 -0.706 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CCOC1 1752523922 KUXSBBNUVRKGDN-MELADBBJSA-N 305.378 -0.553 30 20 DBED C#CCCNC[C@@H]1CCCN(C(=O)CCNS(C)(=O)=O)C1 1752800077 UHLLYYYJUYLIOE-ZDUSSCGKSA-N 315.439 -0.223 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)CCN(C)C(=O)Cc1ccn(C)n1 1753853012 IJOWGQCUKPMOEX-CYBMUJFWSA-N 319.409 -0.509 30 20 DBED C#Cc1ccc(C(=O)N[C@@H](C)CNCCNS(C)(=O)=O)nc1 1754291929 GGPDXJBSMINGEM-NSHDSACASA-N 324.406 -0.680 30 20 DBED C=CCNC(=O)CN1CC[C@](O)(CNC(=O)C[C@@H](C)OC)C1 1754746673 XWSDNDDWUOXDTF-DOMZBBRYSA-N 313.398 -0.733 30 20 DBED C=C(C)CCN1CC[C@](O)(CNC(=O)CS(=O)(=O)CC)C1 1754762849 ZCVSDIMKZNMMRL-AWEZNQCLSA-N 318.439 -0.060 30 20 DBED C=CCOCC(=O)NCC1(O)CN(CCn2nc(C)cc2C)C1 1754764515 FYCVNSRUVPASEV-UHFFFAOYSA-N 322.409 -0.135 30 20 DBED C#CCNC1(C)CCN(C(=O)CN2CCC(=O)NC2=O)CC1 1755133845 FGJGNBCTLGBJMW-UHFFFAOYSA-N 306.366 -0.468 30 20 DBED C#CCNC(=O)CNCC1(O)CCN(C(=O)c2ccoc2)CC1 1755147075 AACDAIYMRRVUCD-UHFFFAOYSA-N 319.361 -0.414 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)C[C@H]1CCCN1C(=O)c1cnon1 1755208756 AJWINSVVSROCJW-VXGBXAGGSA-N 319.365 -0.256 30 20 DBED C#CCNC(=O)CN1CC([C@@H](C)NC(=O)[C@H]2CCCOC2)C1 1755376103 WUFAATNVOUFYPI-OLZOCXBDSA-N 307.394 -0.401 30 20 DBED C=CCN[C@H](C)[C@@H]1CN(C(=O)CCNC(=O)COC)CCO1 1755442963 ZDMMRQOWHRPQQC-OLZOCXBDSA-N 313.398 -0.469 30 20 DBED CN(C[C@H](O)CNCC#N)C(=O)CNC(=O)Cc1ccccc1 1755794890 AXLQKZRRTKWOTN-CQSZACIVSA-N 318.377 -0.722 30 20 DBED C#CCOCCC(=O)NC1CC(N(C)C(=O)[C@@H](C)NC(C)=O)C1 1756734337 XEBLFGXYDBOPFI-LMWSTFAQSA-N 323.393 -0.344 30 20 DBED C[C@H](C#N)C(=O)NCCC1=CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1 1756887655 RRWHLFQEAZTDDH-RTXFEEFZSA-N 318.377 -0.068 30 20 DBED C=CCCC(=O)N[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2C)C[C@H]1O 1756985098 QWNJMLNJRCPYTI-IJLUTSLNSA-N 309.366 -0.739 30 20 DBED C=CCCC(=O)N[C@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C[C@H]1O 1757561434 IFPZCDAUAOYPHV-CMPLNLGQSA-N 320.349 -0.572 30 20 DBED Cc1nn(C)c(C)c1[C@@H](O)CNC[C@H](O)CN(C)CCC#N 1772046817 MPRLIWMOUBQWSX-KBPBESRZSA-N 309.414 -0.134 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1snnc1C)CCO2 1783050192 KROXHFDOMFNPKO-CQSZACIVSA-N 320.374 -0.077 30 20 DBED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C)[nH]n3)C[C@@H]21 1790794145 YOYYOBMWDZZKCI-OBJOEFQTSA-N 316.361 -0.055 30 20 DBED O=C(O)C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ncc[nH]1)C2 1801986793 GHAZYTQMBSAVSO-JGPRNRPPSA-N 316.317 -0.251 30 20 DBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc[nH]3)C2)C1 1839809046 OOJXNJFAEWQLNO-INIZCTEOSA-N 317.345 -0.282 30 20 DBED C#CCCC(=O)N1CCCC12CN(C(=O)[C@@H](C)n1cnnn1)C2 1846999832 SVWVFHLAZVIQJA-GFCCVEGCSA-N 316.365 -0.149 30 20 DBED C=CCSCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](N)CN 1848062466 UHORPIQYNZPEDF-SRVKXCTJSA-N 312.439 -0.607 30 20 DBED CCNS(=O)(=O)CCNS(=O)(=O)c1cccc(C#N)c1 68922447 RBMSPVVCXQBLTO-UHFFFAOYSA-N 317.392 -0.224 30 20 DBED C[C@H](CC#N)N(C)C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 103443544 SVQUHQONDOBOCX-SECBINFHSA-N 318.337 -0.806 30 20 DBED C#CC[C@@H](NS(=O)(=O)c1ccc(C(=O)NC)cc1)C(=O)O 159573479 CQPMFXLHODUFGL-LLVKDONJSA-N 310.331 -0.199 30 20 DBED C=CCNC(=O)CNC(=O)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O 271972189 JRDSGVFKNJAFLV-YUMQZZPRSA-N 307.272 -0.138 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N1CC(=O)N(C2CC2)C1 279506022 IYKOWHAOWMPJSH-UHFFFAOYSA-N 301.368 -0.439 30 20 DBED N#Cc1ccc(S(=O)(=O)NC[C@@H](CO)[C@H]2CCOC2)cn1 281096099 WKNZMFHIZDEGPQ-QWRGUYRKSA-N 311.363 -0.123 30 20 DBED COC(=O)[C@H](CNC(=O)C(=O)Nc1ccc(C#N)c(F)c1)OC 293197451 BLMUPLRLOLXTLH-NSHDSACASA-N 323.280 -0.060 30 20 DBED CNC(=O)CN1CCN(C(=O)c2ccc(C#N)c(C)n2)CC1 298788131 XYSNDQDACKXNSV-UHFFFAOYSA-N 301.350 -0.235 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCCCN(C)C(C)C)C1=O 299538496 OQTDKRPLCUYOEH-UHFFFAOYSA-N 324.381 -0.190 30 20 DBED N#Cc1cncc(S(=O)(=O)N2CCN3C(=O)CC[C@H]3C2)c1 328671964 NTMONHVSUTVWAG-NSHDSACASA-N 306.347 -0.051 30 20 DBED COC(=O)C1(CN/C(O)=N/C[C@@H]2COCCO2)CCOCC1 330798692 GOZVTNMYRNFRIV-LLVKDONJSA-N 316.354 -0.125 30 20 DBED N#C[C@H]1CN(S(=O)(=O)N2CCOC3(CCC3)C2)CCO1 336879739 AXKUVKOVGWEESW-NSHDSACASA-N 301.368 -0.290 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@@H]1CN2CCN1CC2 336898886 PHGUGBRKDSWEMF-CHWSQXEVSA-N 315.443 -0.698 30 20 DBED COC(=O)[C@@H](O)C1CCN(CC(=O)NC2(C#N)CCC2)CC1 346995242 WVLKOIQMZDCBJZ-ZDUSSCGKSA-N 309.366 -0.205 30 20 DBED Cc1cc(C)n2nc(NC(=O)N3CCO[C@H](C#N)C3)nc2n1 358158205 PHPLSFHSWJAVIG-SNVBAGLBSA-N 301.310 0.497 30 20 DBED Cc1cccc(NC(=O)C(=O)NCCS(N)(=O)=O)c1C#N 359505716 RXFUQXFIMSXUSZ-UHFFFAOYSA-N 310.335 -0.790 30 20 DBED C=C[C@@H](C)NC(=O)CCS(=O)(=O)NCC(=O)NC(C)C 362614426 ONBUARCPUJTQTC-SNVBAGLBSA-N 305.400 -0.489 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCO[C@H]2C2CC2)C1=O 372374983 IWVIORSIHLEDPO-PWSUYJOCSA-N 321.333 -0.353 30 20 DBED CN1C(=O)CC[C@@H](NC(=O)C(=O)Nc2sccc2C#N)C1=O 425826685 PUKCFXRPDKGZOB-MRVPVSSYSA-N 320.330 -0.178 30 20 DBED Cc1oc(C(=O)N2CCN(CC#N)CC2)cc1S(N)(=O)=O 446911178 GIXPLFOGZCHOTQ-UHFFFAOYSA-N 312.351 -0.483 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2n[nH]c(C)c2C)CC1 491220508 OCJFMINUJFURSO-UHFFFAOYSA-N 303.366 -0.466 30 20 DBED C#C[C@H](C)N(C)C(=O)CCc1nc2c(O)nc(=O)n(C)c2[nH]1 491699736 CMUAAAHRTVZAPT-QMMMGPOBSA-N 303.322 -0.225 30 20 DBED C#CCNC(=O)CN1CCN(CCC(=O)NC2CCCC2)CC1 491764115 CREQWCKKYRVEMA-UHFFFAOYSA-N 320.437 -0.198 30 20 DBED CCOC[C@H](NS(=O)(=O)N(CC)C[C@H](C)C#N)C(=O)O 519162861 JGAGZQOJOYSYGT-ZJUUUORDSA-N 307.372 -0.208 30 20 DBED CC[C@@]1(C)NC(=O)N(CC(=O)NC2(C#N)CCN(C)CC2)C1=O 536788208 AYOQQVPNTHSJJE-CQSZACIVSA-N 321.381 -0.189 30 20 DBED CN(C(=O)CNS(=O)(=O)c1ccc(C#N)cc1)[C@@H]1CCNC1 582786809 IPVYJTNSJZOWDY-GFCCVEGCSA-N 322.390 -0.343 30 20 DBED N#Cc1cnn2cc(CN3CCC[C@@H](S(N)(=O)=O)C3)cnc12 582964672 GVASGWCTKSWGEX-GFCCVEGCSA-N 320.378 -0.146 30 20 DBED Cc1cc(C(=O)NCC(=O)NCC#N)ccc1N1CCNC1=O 588078960 DGUASXDIGFCQDE-UHFFFAOYSA-N 315.333 -0.106 30 20 DBED N#CCNC(=O)CNC(=O)NC1CCN(CC(F)F)CC1 588129801 ZAGZDDJNOKBREZ-UHFFFAOYSA-N 303.313 -0.345 30 20 DBED N#Cc1ccc(S(=O)(=O)CCNCCCn2cncn2)nc1 589057867 IMIGHWXHMMUYNR-UHFFFAOYSA-N 320.378 -0.002 30 20 DBED Cn1c(N2C[C@@H]3CCC[C@]3(CN)C2)c(C#N)c(=O)n(C)c1=O 593234397 XKYGVCXDYPBAEC-BONVTDFDSA-N 303.366 -0.479 30 20 DBED CC[C@@H](C#N)C(=O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 593894193 IMLXJFLLQAXKFF-JTQLQIEISA-N 311.367 -0.208 30 20 DBED N#CCNC(=O)CNC(=O)N[C@@H]1CCc2ccccc2NC1=O 594248839 UDCKDOXYYGRISU-GFCCVEGCSA-N 315.333 -0.121 30 20 DBED N#Cc1cc(F)ccc1NC(=O)C(=O)NC[C@H]1COCCN1 599896369 AFVGZEVOKNGQJQ-NSHDSACASA-N 306.297 -0.260 30 20 DBED CN1CCN(S(=O)(=O)Cc2cccc(C#N)c2)[C@H](CO)C1 601469091 JZNZNVASPNPBBK-AWEZNQCLSA-N 309.391 -0.004 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)Nc2cnn(CC3CC3)c2)CCO1 610776048 SRKBQCKVUUGMGN-GFCCVEGCSA-N 303.322 -0.017 30 20 DBED C=CCN(CCOC)C(=O)C(=O)NC[C@@H]1CC(=O)N(CC)C1 653449549 UWQHQXJKLRXJAL-LBPRGKRZSA-N 311.382 -0.368 30 20 DBED C#CCCCNC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 742786154 JOMQNWXWIPKIHH-NEPJUHHUSA-N 312.391 -0.448 30 20 DBED C#Cc1cccc(NC(=O)C(=O)NCCS(=O)(=O)NC)c1 786002797 LERKHBHOPGEKSQ-UHFFFAOYSA-N 309.347 -0.728 30 20 DBED C#CCC[C@@H](O)CNC(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 798387787 CFHRAKCKIKZHPL-NWDGAFQWSA-N 317.411 -0.516 30 20 DBED C=CCN1CC[C@@H](OC(=O)c2coc(S(N)(=O)=O)c2)C1=O 798639644 CUMGOUDRZMNVMS-SECBINFHSA-N 314.319 -0.129 30 20 DBED C#C[C@@H](NC(=O)C(=O)NCCn1ccnc1C)[C@@H]1CCCO1 804030131 DIEAXOVVUQJGAI-OLZOCXBDSA-N 304.350 -0.395 30 20 DBED Cc1nonc1CC(=O)N(CCC#N)CCN1CCOCC1 845354396 ONFDXGIQSHGFQH-UHFFFAOYSA-N 307.354 -0.005 30 20 DBED C=C[C@H](C)ONC(=O)N1CCN(C(=O)C(=O)NC(C)C)CC1 845639173 PAMSIGJXWVJJMI-NSHDSACASA-N 312.370 -0.129 30 20 DBED CON1CCN(CCS(=O)(=O)c2ccc(C#N)cn2)CC1 846972319 RNFWWTCUJLQMFW-UHFFFAOYSA-N 310.379 -0.094 30 20 DBED Cc1nn(CC(=O)O[C@H](C)C(=O)NC2(C#N)CCC2)c(=O)n1C 848845605 VMHQEERBQIDMIX-SECBINFHSA-N 321.337 -0.616 30 20 DBED C#CCOCCN1CCN(S(=O)(=O)Cc2ccon2)CC1 851789065 ZWMRHXSMOVIYHH-UHFFFAOYSA-N 313.379 -0.228 30 20 DBED C#CCN1CCN(C(=O)CN2CC[C@@H]3NC(=O)CC[C@@H]3C2)CC1 852497437 VTYAXYAIGHOCQN-CABCVRRESA-N 318.421 -0.636 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)NC[C@H]1CC(=O)N(CC)C1 875440525 FLRMKRUNXGSXSR-CHWSQXEVSA-N 323.393 -0.484 30 20 DBED CN(C)S(=O)(=O)CCS(=O)(=O)N1CC[C@](F)(C#N)C1 882111623 DLCKIJARHPZAAC-VIFPVBQESA-N 313.376 -0.855 30 20 DBED N#Cc1ccc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)c(CO)c1 892848439 SOLQPNRXXFLRMM-GFCCVEGCSA-N 300.318 -0.802 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N1CC[C@H](C2OCCO2)C1 921896528 FCGRDZXBOYBNNK-NSHDSACASA-N 318.395 -0.008 30 20 DBED O=C(C[C@H]1CCNC1=O)N[C@H]1CCN(C(=O)C#CC2CC2)C1 938074122 UAKRAMUBESHAOW-OLZOCXBDSA-N 303.362 -0.357 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@@H](NC(=O)CN2CCOCC2=O)C1 941095454 SQOWEBPLLPIRIA-GFCCVEGCSA-N 323.393 -0.226 30 20 DBED C[C@@H](C#N)C(=O)N1CCCN(C(=O)[C@@H]2CN(C)C(=O)N2)CC1 941834886 RQYIDIVPUBOPRW-QWRGUYRKSA-N 307.354 -0.769 30 20 DBED CCN(C(=O)[C@@H]1COC(=O)N1)[C@H]1CCN(C(=O)C#CC2CC2)C1 942767923 DZMVLBYBACYTHD-STQMWFEESA-N 319.361 -0.042 30 20 DBED O=C(NC[C@H]1CN(C(=O)C#CC2CC2)CCO1)c1n[nH]cc1F 944761818 LXQORSJYIBQOMG-NSHDSACASA-N 320.324 -0.081 30 20 DBED CC#CCN1CCC2(CC1)CN(C(=O)[C@H]1C[C@H]1C(N)=O)CCO2 949191101 CEWULOXWINTSRZ-KGLIPLIRSA-N 319.405 -0.176 30 20 DBED CS(=O)(=O)CC(=O)N1CC[C@@H]1CNC(=O)c1c[nH]c(C#N)c1 949486450 XBULLENXUHEQOU-LLVKDONJSA-N 324.362 -0.738 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2CCN2C(=O)c2ncc[nH]2)nn1 950053080 PNELAGVVDVXTQY-SNVBAGLBSA-N 315.337 -0.168 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CCC[C@H](C1)N2C(=O)[C@H]1CCNC1=O 952785439 KNFFROHKVQGSNC-NDBYEHHHSA-N 318.377 -0.126 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2CCN(C(=O)C(N)=O)[C@H](C)C2)c1 955808808 KPVCTWNMKSPRBJ-ZWNOBZJWSA-N 314.345 -0.343 30 20 DBED C=CCCN1C[C@@H](O)[C@H](CNC(=O)c2ccn3nnnc3c2)C1 958319518 LOKIQIVKCSIGCW-CHWSQXEVSA-N 316.365 -0.277 30 20 DBED C#CCN1C[C@H](CNC(=O)c2nccn3cc(C)nc23)[C@@H](O)C1 958576531 BKWPUEGUQMMCCX-STQMWFEESA-N 313.361 -0.307 30 20 DBED C=C(C)CN1C[C@@H](O)[C@@H](CNC(=O)C2CCN(C(N)=O)CC2)C1 958657054 BXNWJWXBZMGTHX-UONOGXRCSA-N 324.425 -0.238 30 20 DBED C=CCCN1C[C@@H](O)[C@H](CNC(=O)c2cccc(C(N)=O)n2)C1 958736023 HUDYJWZCGRIXTF-BXUZGUMPSA-N 318.377 -0.221 30 20 DBED C=C(Cl)CN1C[C@H]2[C@H](NC(=O)c3nnc(O)nc3O)[C@H]2C1 960838266 ODSQAUYFWNHLCB-JIGDXULJSA-N 311.729 -0.305 30 20 DBED C#CCOc1ncccc1C(=O)N1C[C@H](O)[C@H](NC(=O)CC)C1 961046631 XVWPHCMFKDUADQ-OLZOCXBDSA-N 317.345 -0.195 30 20 DBED C#Cc1ccc(C(=O)NC2[C@H]3CN(Cc4nnn(C)n4)C[C@H]23)cn1 962327153 RQNQBGQEIGCQSX-STQMWFEESA-N 323.360 -0.553 30 20 DBED O=C(NC[C@@H]1COCCN1C(=O)C#CC1CC1)c1nc[nH]n1 964311396 RUYAKXZRFDHBTI-LLVKDONJSA-N 303.322 -0.825 30 20 DBED C#Cc1ccccc1CC(=O)N1C[C@H](C)[C@H](NC(=O)C(N)=O)C1 966644381 ADYYQNZQSSISEW-SMDDNHRTSA-N 313.357 -0.341 30 20 DBED N#CCN[C@@H]1CCN(C(=O)c2ccc(OCC(N)=O)cc2)C1 969255212 CVRLJZXSDFHPQR-GFCCVEGCSA-N 302.334 -0.122 30 20 DBED C#CCN1CC([C@@H](C)NC(=O)[C@@H]2CCc3nnn(C)c3C2)C1 970334148 ITSOZJTWRYNEAX-VXGBXAGGSA-N 301.394 -0.010 30 20 DBED C[C@@H](NC(=O)[C@@H]1CCc2nnn(C)c2C1)C1CN(CC#N)C1 970335838 OXNPPEBYUBNBAT-GHMZBOCLSA-N 302.382 -0.120 30 20 DBED N#CCN[C@@H]1CCN(C(=O)Cn2nc3n(c2=O)CCCC3)C1 970429029 OMZDTRVCCRWQDW-LLVKDONJSA-N 304.354 -0.905 30 20 DBED CC#CCN1CCO[C@@]2(CCN(C(=O)[C@H]3COCCO3)C2)C1 972274671 ITRYPGDNCZGWGJ-ZBFHGGJFSA-N 308.378 -0.272 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)[C@H]3CCCCC(=O)N3)C2)C1 972546585 QCYSLWGRBJPKMK-PBHICJAKSA-N 319.405 -0.018 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)c3ncn(C)n3)C[C@H]21 974976239 UGLOEGGUSCXLKG-HBNTYKKESA-N 302.338 -0.352 30 20 DBED CC#CCN1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C(C)(C)C1 975030983 ORNGGEVKZQLPMY-YNEHKIRRSA-N 307.394 -0.131 30 20 DBED CN(C[C@H]1CCN1C(=O)C#CC1CC1)C(=O)[C@@H]1CCC(=O)NC1 977975625 QPECNRNFKZMRAG-ZIAGYGMSSA-N 317.389 -0.015 30 20 DBED C[C@H](NCc1ccccc1C#N)[C@H]1CN(C(=O)C(N)=O)CCO1 979359726 NPFDTXMFNLOJJY-SMDDNHRTSA-N 316.361 -0.251 30 20 DBED C[C@H](C#N)C(=O)N1CCC(N(C)CCN2C(=O)CNC2=O)CC1 985332450 OSFSDAPCUQZQQU-LLVKDONJSA-N 321.381 -0.379 30 20 DBED C[C@@H]1[C@H](NCC#N)CCN1C(=O)c1ccc(S(N)(=O)=O)o1 986475934 BYHSKYJWWVNSOT-RKDXNWHRSA-N 312.351 -0.357 30 20 DBED C#CCN[C@@H]1CCN(C(=O)c2ccc(-n3cnnn3)cn2)[C@H]1C 986601931 MYINTVCRGGYWTH-WCQYABFASA-N 311.349 -0.117 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](NCC(=O)N2CCOCC2)C(C)(C)C1 995580650 LHGIOCBGZONYPE-STQMWFEESA-N 322.409 -0.169 30 20 DBED N#CCNC1CCN(C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)CC1 996809945 FDDAVWZNLODYBP-OLZOCXBDSA-N 308.382 -0.096 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)[C@@H]3CCC(=O)N3)C2)nc1 997087230 FSSLUKRDJZXZNI-ZDUSSCGKSA-N 312.329 -0.718 30 20 DBED C#CCOc1ccc(C(=O)N2CC(NC(=O)C(N)=O)C2)cc1 998721602 CVYGENLNVMGGQY-UHFFFAOYSA-N 301.302 -0.876 30 20 DBED C#CCN[C@H]1CCCN(C(=O)CCc2nnc(O)nc2O)C1 999586956 LJZDGOPENNUJEI-JTQLQIEISA-N 305.338 -0.571 30 20 DBED N#Cc1ccc(C(=O)NCC2CN(C(=O)Cn3cccn3)C2)[nH]1 1001478248 QGUQRIRIUREZKH-UHFFFAOYSA-N 312.333 -0.029 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2C(NC(=O)C34CCN(CC3)C4)[C@H]2C1 1013452802 MQBPISAJBXJIND-WOPDTQHZSA-N 302.378 -0.185 30 20 DBED C=CCN1CC[C@@H](N2CC[C@@H](NC(=O)Cn3cncn3)C2)C1=O 1016193273 VUUDCKLJGPSWCD-CHWSQXEVSA-N 318.381 -0.745 30 20 DBED CC#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@@H]1CC(=O)NC1=O 1018346651 MCBQPJAPTWATSH-RWMBFGLXSA-N 303.362 -0.262 30 20 DBED C=CCN[C@H]1C[C@H](NC(=O)c2ccc(=O)n(CCOC)n2)C1 1020372410 UQUDZYXTGIOHBS-HAQNSBGRSA-N 306.366 -0.074 30 20 DBED C[C@H]1[C@@H](NC(=O)c2c[nH]c(=O)cn2)CCN1C(=O)[C@H](C)C#N 1020536725 AVFFUVIEVAOZFI-UTLUCORTSA-N 303.322 -0.351 30 20 DBED N#Cc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CCOC3)C2)c[nH]1 1023157815 PNYGWGQCRDHKPL-ZWKOPEQDSA-N 318.333 -0.776 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cncc(F)c2)C1 1023368957 CDDJCMJJOSDACH-GGZOMVNGSA-N 306.297 -0.318 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2O)c1 1025551639 MCGKBELBVAXEHK-HZPDHXFCSA-N 323.352 -0.222 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cocn2)C[C@H]1O 1025708968 AGFVFEYTTPTYDF-WFFHOREQSA-N 321.333 -0.433 30 20 DBED N#Cc1ccc(F)cc1CN1CC(NC(=O)[C@H]2CNC(=O)N2)C1 1030878679 VGCNPICMVBBUDC-CYBMUJFWSA-N 317.324 -0.321 30 20 DBED C=C(C)CCN1CC(NC(=O)C2CC3(C2)NC(=O)NC3=O)C1 1031091412 WUDLAVPHRQIZBT-UHFFFAOYSA-N 306.366 -0.259 30 20 DBED CC#CCN1CC(CNC(=O)c2cn(CC(=O)N(C)C)nn2)C1 1032207024 XOXKAFBHLLIGQY-UHFFFAOYSA-N 318.381 -0.949 30 20 DBED N#CCN[C@H]1CC[C@H](NC(=O)CN2CCC(=O)NC2=O)CC1 1034771395 VWQOFMNENJZCGM-XYPYZODXSA-N 307.354 -0.531 30 20 DBED CN(C)C(=O)CN1CCO[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 1035327896 ZPKQLKIMJKBZHO-LBPRGKRZSA-N 319.365 -0.595 30 20 DBED N#CCN1CCO[C@@H](CNC(=O)c2cc3c(cn2)OCCO3)C1 1035396922 ALNIGSFFSXOUGN-NSHDSACASA-N 318.333 -0.193 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)c2noc3c2COCC3)C1 1035609448 IBKFVSXEDRZLRQ-NSHDSACASA-N 305.334 -0.189 30 20 DBED C=CCCn1cc(C(=O)N[C@H]2[C@H]3C[C@H]2N(CC(N)=O)C3)nn1 1037619836 MNOIQIBRKLGJPR-NDMJEZRESA-N 304.354 -0.858 30 20 DBED C#CCCN1CC[C@@H]1CNC(=O)[C@H]1CC(=O)N(CCOC)C1 1038318660 RUXGJMKWNVPQSG-UONOGXRCSA-N 307.394 -0.305 30 20 DBED C#CCCCC(=O)NC[C@]1(O)CCN(C(=O)[C@H](C)CC(N)=O)C1 1039580701 YPQBSARKIOZOLF-MLGOLLRUSA-N 323.393 -0.619 30 20 DBED N#CCN1CCC[C@@]2(CCN(C(=O)Cn3c(O)nnc3O)C2)C1 1040510609 QSNIKGJDCSZUGV-CQSZACIVSA-N 320.353 -0.473 30 20 DBED Cc1c[nH]c(C(=O)N2CC[C@](O)(CNC(=O)[C@H](C)C#N)C2)n1 1040760888 ALYIZTJJYGASLM-OTYXRUKQSA-N 305.338 -0.429 30 20 DBED Cc1nonc1CC(=O)NC[C@@]1(O)CCN(C(=O)[C@H](C)C#N)C1 1040778064 CVANRPGZFOIHOZ-OTYXRUKQSA-N 321.337 -0.840 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)C[C@H]2CCCO2)C1 1042039576 CIXVFBSISBAZPB-GFCCVEGCSA-N 312.366 -0.552 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)CCc2nc[nH]n2)C1 1042415868 XIVXJHNACBXPMI-UHFFFAOYSA-N 319.365 -0.914 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)c2cc(OC)no2)C1 1042688226 NILBLGWEPFELGQ-UHFFFAOYSA-N 309.322 -0.048 30 20 DBED C[C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1N=c1cc[nH]cc1C#N 1043076715 JWBKBNWOKDYXAX-ZWNOBZJWSA-N 312.337 -0.679 30 20 DBED Cn1nncc1C(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@@H]1O 1043925404 TWEZLPWXAHGXFX-PWSUYJOCSA-N 313.321 -0.939 30 20 DBED CC#CCCCC(=O)N1CC(O)(CNC(=O)c2[nH]nnc2C)C1 1044370704 NPOXHDFMSQBYHR-UHFFFAOYSA-N 319.365 -0.390 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)c2cc(C)co2)C1 1045046271 PQXBFFUZAZLUNJ-UHFFFAOYSA-N 320.345 -0.069 30 20 DBED C=CCN1CC[C@@H](NC[C@@H]2CCCN2C(=O)c2nc[nH]n2)C1=O 1045245679 RABQYNABXUNYJQ-NWDGAFQWSA-N 318.381 -0.214 30 20 DBED CCCN1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)[C@H](C)C#N)C1 1045559732 OXAHSWXYXFHOMN-CHWSQXEVSA-N 322.409 -0.290 30 20 DBED C=CCCCC(=O)N1CC(O)(CNC(=O)[C@]2(C)CCC(=O)N2)C1 1046202844 NGOWBEAZSLCPBY-HNNXBMFYSA-N 323.393 -0.299 30 20 DBED N#CCSCC(=O)N1CC(O)(CNC(=O)[C@H]2CC23CC3)C1 1047135153 KCGWURQHEMPTPQ-SNVBAGLBSA-N 309.391 -0.267 30 20 DBED C=CCOCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CNC(C)=O)C2 1047399230 LTQYAMJWPJQICZ-IHRRRGAJSA-N 323.393 -0.179 30 20 DBED C#Cc1ccc(C(=O)N(C)[C@H]2CN(C[C@@H](C)O)C[C@@H]2O)nc1 1047601582 BGBQLBQQZTXOGV-UGFHNGPFSA-N 303.362 -0.439 30 20 DBED C[C@H]1CCCN(C(=O)C(N)=O)[C@@H]1CCN=c1cc[nH]c(C#N)n1 1047739353 MYGHGHITBNKLFY-WDEREUQCSA-N 316.365 -0.315 30 20 DBED C=CCCCC(=O)N(C)[C@H]1CN(C(=O)c2cnn(C)n2)C[C@@H]1O 1049356281 TYINRMZTQNMRGE-STQMWFEESA-N 321.381 -0.185 30 20 DBED CC#CCN1C[C@@H]2CCCN(C(=O)CN3CCOCC3=O)[C@@H]2C1 1050063945 ZHRYQYVECNTENK-LSDHHAIUSA-N 319.405 -0.209 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1C 1051921672 LZSKWLOJIBXVIM-QWHCGFSZSA-N 318.381 -0.313 30 20 DBED C#CCN1CCN([C@@H]2CCN(C(=O)CCc3nc[nH]n3)C2)CC1 1052005997 KUWQLBCCKLVPCE-CQSZACIVSA-N 316.409 -0.411 30 20 DBED Cn1oc(C(=O)N2CC[C@H](N3CCN(CC#N)CC3)C2)cc1=O 1052018027 AHRAQJNJTRPIQC-LBPRGKRZSA-N 319.365 -0.666 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)[C@H]3OCCO[C@H]3C)CO2)C1 1053836933 VFKAMRSLDWPRIJ-IHRRRGAJSA-N 308.378 -0.227 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)C(=O)N3CC[C@@H](C)C3)CO2)C1 1053976991 LWWALYYJIHTCHR-KGLIPLIRSA-N 319.405 -0.162 30 20 DBED C[C@H](C#N)C(=O)N1CCN(c2ncnc3c2nnn3C)CC1 1055742624 WMOWIUBBBVLBJN-SECBINFHSA-N 300.326 -0.433 30 20 DBED C[C@H](C#N)C(=O)N[C@]1(CO)CCCN(C(=O)c2cnn[nH]2)C1 1056097806 VRQJLXSORUJRHX-NOZJJQNGSA-N 306.326 -0.952 30 20 DBED N#CCSCC(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)CC(N)=O 1056326164 YALUKKCBWSIQCL-WDEREUQCSA-N 324.406 -0.290 30 20 DBED Cc1cc(C#N)nc(N2C[C@H]3[C@H](NC(=O)c4[nH]nnc4C)[C@H]3C2)n1 1056362620 QBXDCPGRPQQUST-PJXYFTJBSA-N 324.348 -0.052 30 20 DBED N#Cc1cnc(N2C[C@H]3[C@H](NC(=O)c4c[nH]c(=O)cn4)[C@H]3C2)cn1 1056388837 HMNRPCNSWOKPIA-MSRIBSCDSA-N 323.316 -0.704 30 20 DBED C=CCCO[C@@H](C)C(=O)NCCN(CCO)C(=O)COCC 1056864590 CQSRLLKKIPFAQA-ZDUSSCGKSA-N 316.398 -0.059 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)[C@H](C)n1cncn1 1057384090 RBKRWOSMRHWBRE-ZDUSSCGKSA-N 321.381 -0.420 30 20 DBED C=C[C@H](C)[C@H](C)C(=O)NCCN(CCO)C(=O)Cn1ncnn1 1057675527 XKYJDUYOPHLYBM-RYUDHWBXSA-N 324.385 -0.932 30 20 DBED C=CC(C)(C)C(=O)NCCN(CCO)C(=O)Cn1nccn1 1057702213 MLZWRBQITUTOGN-UHFFFAOYSA-N 309.370 -0.573 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)[C@H]1CCCNC1=O 1057884753 PDNZWTNUYIZQCY-LBPRGKRZSA-N 311.382 -0.584 30 20 DBED Cn1nnc(C(=O)NC2CCN(c3cncc(C#N)n3)CC2)n1 1057927574 BQRLCZHMIKWSIC-UHFFFAOYSA-N 313.325 -0.729 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)c1ccn(C)c(=O)c1 1058048874 LRGVFEDRSHUVQS-LLVKDONJSA-N 320.349 -0.904 30 20 DBED N#Cc1nccnc1N1CC[C@H](NC(=O)[C@H]2CCNC(=O)C2)C1 1058336454 WVIGHZXCRBMQOJ-QWRGUYRKSA-N 314.349 -0.431 30 20 DBED C=C[C@@H](C)[C@H](C)C(=O)N(CCO)CCNC(=O)c1cnn(C)n1 1058434986 BRRMQTPDKIRQCN-NEPJUHHUSA-N 323.397 -0.176 30 20 DBED CN1C[C@@H](C(=O)N[C@H]2CCN(c3cncc(C#N)n3)C2)NC1=O 1058504027 DHSOYWFQMALYBH-ONGXEEELSA-N 315.337 -0.933 30 20 DBED Cc1nnc(CC(=O)NCCN(CCO)C(=O)[C@H](C)C#N)o1 1058653149 NNLINWNKSXTVNP-SECBINFHSA-N 309.326 -0.983 30 20 DBED CO[C@@H](C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N)C1CCC1 1058660468 AXMOBNIRWTXUHC-WCQYABFASA-N 311.382 -0.102 30 20 DBED CN1C[C@H](C(=O)N[C@H]2C[C@@H](N=c3cc[nH]cc3C#N)C2)NC1=O 1059781600 FQNYUNBZAKLYBJ-NTZNESFSSA-N 314.349 -0.542 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)CCn1cncn1 1061285277 HXUGLHDHRIYSJY-NEPJUHHUSA-N 320.353 -0.829 30 20 DBED C#CCCCCC(=O)NC[C@H]1COCCN1C(=O)CNC(C)=O 1061515945 SUYJFZBHPVVIQV-AWEZNQCLSA-N 323.393 -0.340 30 20 DBED C=CCCC(=O)N1CCOC[C@@H]1CNC(=O)[C@]1(C)CNC(=O)C1 1061716449 IZIQIZKGOCBUOR-LRDDRELGSA-N 323.393 -0.178 30 20 DBED N#Cc1cncc(N2CC[C@@H](CNC(=O)[C@H]3C[C@H]3C(N)=O)C2)n1 1061732363 LUGUKMUPUGYLAA-WCQGTBRESA-N 314.349 -0.588 30 20 DBED C=CCCCC(=O)N1CCOC[C@@H]1CNC(=O)C1(C(N)=O)CC1 1061838856 QANFJSCUGGFDGV-LBPRGKRZSA-N 323.393 -0.048 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)CCc1nc[nH]n1 1061847163 RKHQIWQXUKQDJZ-QWRGUYRKSA-N 320.353 -0.759 30 20 DBED C#CCOCCC(=O)NCC1(NC(=O)CC(=O)NCC)CCC1 1063038370 DFTSNUJTZMDXGY-UHFFFAOYSA-N 323.393 -0.292 30 20 DBED Cc1cc(C#N)nc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)Cn2nccn2)n1 1064301424 SAFGMIFDEJOJCX-OSMZGAPFSA-N 324.348 -0.358 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)c2ncn(C)n2)CCO1 1065116498 WFQDUVUOUZEPHY-LBPRGKRZSA-N 319.365 -0.568 30 20 DBED C#CCCCC(=O)N1CCN([C@@H]2CCN(C(=O)C(N)=O)C2)CC1 1065712217 VLWXZPSLBBAYPH-CYBMUJFWSA-N 320.393 -0.980 30 20 DBED C[C@@H]1CN(C(=O)CC(N)=O)C[C@@H]1CNc1cnc(C#N)cn1 1065830128 WMJNLRQDKVBVCH-ZJUUUORDSA-N 302.338 -0.270 30 20 DBED C=CCOCC(=O)N(C)CCCN(C)C(=O)[C@H]1CCNC1=O 1067000771 YFVZLTNWDPCMGV-LBPRGKRZSA-N 311.382 -0.368 30 20 DBED C#CCO[C@H](C)C(=O)N1CC2(C[C@@H](NC(=O)COCC)CO2)C1 1068676323 UFMTZFSBTFGROD-CHWSQXEVSA-N 324.377 -0.453 30 20 DBED CC#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H]2CCOC2)C1 1069901623 MHLTUVOEACVMOQ-MJBXVCDLSA-N 303.366 -0.321 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)C(C)(C)C(N)=O)CCOCC1 1070232083 BPNXWRPLONGGMW-JTQLQIEISA-N 324.381 -0.561 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCC[C@@H](NC(=O)c2cnn(C)n2)C1 1070668081 ZYVUOTLMNDBWRK-IAQYHMDHSA-N 321.381 -0.137 30 20 DBED C#CCOCCC(=O)N1CCC[C@@H](NC(=O)CNC(=O)NC)C1 1070730423 GOOQPZNHRWJRCY-GFCCVEGCSA-N 324.381 -0.938 30 20 DBED Cc1cc(CC(=O)N2CCC(=O)NCCN(CC#N)CC2)no1 1070949486 GWSLBWVRRSJEAR-UHFFFAOYSA-N 319.365 -0.300 30 20 DBED C[C@@H]1CN(C(=O)c2cnnn2C)C[C@@]2(CCN(CC#N)C2)O1 1071166909 PPDCHHIQXIFUEU-RISCZKNCSA-N 304.354 -0.356 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCCN(C(=O)CCN(C)C)C1 1071254528 JGIVJSNMSSFJDJ-CYBMUJFWSA-N 322.409 -0.815 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H](C)[C@@H](NC(=O)c2cn[nH]c2)C1 1071932776 NJEUPCGMDZBICV-JQWIXIFHSA-N 317.349 -0.874 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)c2ccoc2)C1 1071932926 OXKQYUHKEOVCLD-YPMHNXCESA-N 317.345 -0.004 30 20 DBED CCO[C@H](C)C(=O)N1CCN(C2CN(C(=O)[C@H](C)C#N)C2)CC1 1073540779 YSMMTCGAQZWKID-CHWSQXEVSA-N 322.409 -0.074 30 20 DBED C=C[C@@H](C)[C@@H](C)C(=O)N1CC(N2CCN(C(=O)C(N)=O)CC2)C1 1073596487 WQRDWWKILHCEIO-VXGBXAGGSA-N 322.409 -0.715 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 1073769204 AIIHAVFDECAEFO-HZSPNIEDSA-N 307.394 -0.449 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(C(=O)Cn2nccn2)[C@H](C)C1 1074895185 ZSFDPLFBIQLQKI-OLZOCXBDSA-N 321.381 -0.024 30 20 DBED C=C[C@](C)(O)CC(=O)NCC[C@H](C)NC(=O)Cn1cncn1 1076306045 CVPYSAJVQNQDHP-FZMZJTMJSA-N 309.370 -0.384 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)C1 1077089197 WWGQNQHNHUJMPB-JHJVBQTASA-N 309.410 -0.019 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2cn3c(n2)C[C@@H](OC)CC3)C1 1077218141 SHKNJTAWRMIOOA-OUCADQQQSA-N 318.377 -0.748 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3cnnc3)cc2)C1 1077835330 JOTWJQDEMORBKO-ZIAGYGMSSA-N 312.333 -0.434 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1cnon1 1077993816 GGKKFSYZAIHXOV-AAEUAGOBSA-N 319.365 -0.208 30 20 DBED C[C@@H](CCNC(=O)[C@@H](C)C#N)NC(=O)c1cn(C)c(=O)cn1 1078132500 WITHPDMEZUEJCS-UWVGGRQHSA-N 305.338 -0.435 30 20 DBED C[C@@H](CCNC(=O)[C@H](C)C#N)NC(=O)c1cnc(O)n(C)c1=O 1078135036 OYLUZERGJGCCRB-BDAKNGLRSA-N 321.337 -0.730 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2Cc3cccc(F)c3O2)C1 1078207461 ZETCKYRVLAUJQV-MGPQQGTHSA-N 304.321 -0.076 30 20 DBED C=CCOCC(=O)N(CC)C1CN(C(=O)[C@H]2CC[C@@H]2C(N)=O)C1 1079493824 IJJFKZGEIIBETI-STQMWFEESA-N 323.393 -0.240 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(N(CC)C(=O)CC(=O)NCC)C1 1079647393 AGIUVQKFDHWVAW-GFCCVEGCSA-N 323.393 -0.390 30 20 DBED C#CCCCC(=O)N(CC)C1CN(C(=O)CC(=O)NCC#C)C1 1079681126 XBFZMKMRCGIMAB-UHFFFAOYSA-N 317.389 -0.011 30 20 DBED CCN(C(=O)C#CC(C)C)C1CN(C(=O)C2(C(N)=O)CC2)C1 1079730421 WSEMLRACLRLWLS-UHFFFAOYSA-N 305.378 -0.029 30 20 DBED CCN1CCO[C@@H](C(=O)N2CC(N(CC)C(=O)[C@@H](C)C#N)C2)C1 1080418721 YAZLIZRLVPHAFC-GXTWGEPZSA-N 322.409 -0.074 30 20 DBED O=C(Cn1cccn1)NC[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1081258699 ASJOIOQOEODYNQ-ZIAGYGMSSA-N 316.361 -0.768 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)c2cn(C)nn2)C[C@@H]1O 1081464326 YDMJJTDSXYXPNG-AAEUAGOBSA-N 319.365 -0.976 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(C(=O)Cc2ncc[nH]2)C[C@@H]1O 1081471614 PXIJQMDCFAPZLK-STQMWFEESA-N 316.361 -0.699 30 20 DBED C#CCOCCC(=O)NC[C@H]1CN(C(=O)C#CC(C)C)C[C@H]1O 1081488411 HYRCPMHPTSOLQB-LSDHHAIUSA-N 320.389 -0.379 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CN2CCCC2)C1 1081499054 IBFWFXOVUQOCIO-LSDHHAIUSA-N 321.421 -0.323 30 20 DBED C=CC(C)(C)C(=O)NC[C@H]1CN(C(=O)c2cnn[nH]2)C[C@@H]1O 1081644647 DEFODDLGQMYTRY-ONGXEEELSA-N 307.354 -0.434 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cc2n(n1)CCO2 1083107301 YIYNUQMMQQNUOR-NWDGAFQWSA-N 303.322 -0.676 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)Cc2nnn(C(C)(C)C)n2)C1 1083486183 LRFJIYALTOVBGL-NEPJUHHUSA-N 320.397 -0.845 30 20 DBED C#CCOc1ncccc1C(=O)NC[C@H]1C[C@H](NCC(N)=O)C1 1086536411 DMGYIAZITUDAPY-HAQNSBGRSA-N 316.361 -0.323 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2cnc3[nH]nnc3c2)[C@H](O)C1 1090328299 ZXKXXJIIKGSLLS-WCQYABFASA-N 314.349 -0.459 30 20 DBED COc1cc(C(=O)N[C@@H]2CCN(CC#N)C[C@@H]2O)cc(OC)n1 1090395274 BAIAZNYQPYOSOR-NEPJUHHUSA-N 320.349 -0.213 30 20 DBED C=CCN1CC[C@H](NC(=O)c2ccoc2CC(N)=O)[C@@H](O)C1 1090523261 PASHBXJSZJGPEG-RYUDHWBXSA-N 307.350 -0.342 30 20 DBED N#CCN1CC[C@H](NC(=O)c2ccc3nc(O)[nH]c3c2)[C@@H](O)C1 1090607544 WDULNUKCFUKCNX-AAEUAGOBSA-N 315.333 -0.043 30 20 DBED C#CCN1CC[C@H](NC(=O)c2ccc3nnc(O)n3c2)[C@H](O)C1 1090640062 GEFBMDBXPGXZLJ-NWDGAFQWSA-N 315.333 -0.767 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)c2nc3ncccn3n2)[C@H](O)C1 1090657831 IHEDBLGGOXGSTD-NWDGAFQWSA-N 316.365 -0.135 30 20 DBED CCNC(=O)CC(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@@H]1O 1091095416 NIJNSIVRQDZIAJ-OLZOCXBDSA-N 317.349 -0.855 30 20 DBED CCNC(=O)CCC(=O)N1CCN(c2ccnc(C#N)n2)CC1 1093139143 NEMMCKUKKPXQJF-UHFFFAOYSA-N 316.365 -0.087 30 20 DBED CCC(=O)N[C@@H](C)C(=O)N1CCN(c2nccnc2C#N)CC1 1093200638 VAACAUJGOAVMCK-NSHDSACASA-N 316.365 -0.088 30 20 DBED CCC(=O)NCC(=O)NC1[C@@H]2CN(c3cnc(C#N)cn3)C[C@@H]12 1093234201 ITGCONWQHNRWHE-GHMZBOCLSA-N 314.349 -0.575 30 20 DBED CC#CCN1CC(OC2CCN(C(=O)C3(C(N)=O)CC3)CC2)C1 1093567189 BVKKHOFYMIYGHI-UHFFFAOYSA-N 319.405 -0.033 30 20 DBED N#Cc1nc(=NCCNC(=O)[C@H]2CCc3nncn3C2)cc[nH]1 1093669189 YMKAIQTYNDVWDO-JTQLQIEISA-N 312.337 -0.848 30 20 DBED Cc1ccc(C#N)c(NCCNC(=O)[C@H]2CN(C)C(=O)N2)n1 1094060331 DCKXSGCSUZSFDT-LLVKDONJSA-N 302.338 -0.187 30 20 DBED Cn1cc([C@@H]2C[C@H]2C(=O)NCCN=c2cc[nH]c(C#N)n2)cn1 1094132814 HMJDJCVLLCCNFL-NWDGAFQWSA-N 311.349 -0.165 30 20 DBED CCN1CCOC[C@H]1C(=O)NCCCNc1nccnc1C#N 1094653973 AYDJATFAVQPYEC-ZDUSSCGKSA-N 318.381 -0.013 30 20 DBED N#CCN1CCN(C(=O)[C@@H]2C[C@@H]3C[C@@H]3C2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094654390 MMSREPHJUZSLFQ-MQLXINIDSA-N 323.418 -0.134 30 20 DBED C=CCCN1CC(N2C[C@@H](NC(=O)[C@@H]3CCC(=O)N3)CC2=O)C1 1094808264 JAKKJQYIJDGFCI-AAEUAGOBSA-N 320.393 -0.758 30 20 DBED C=CCN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN1CC(=O)NC1=O)C2 1095014156 FQWPLBDXYGTTQE-SRVKXCTJSA-N 306.366 -0.307 30 20 DBED CCNC(=O)CC(=O)NCCCN(C)c1nccnc1C#N 1095541209 LISUZFWCJYIOPK-UHFFFAOYSA-N 304.354 -0.183 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CCN(c2ccncc2C#N)C1 1096359547 CRETVSYVXOQDES-ZDUSSCGKSA-N 311.345 -0.212 30 20 DBED C[C@H](CNC(=O)CCCC(=O)N(C)C)N=c1cc[nH]c(C#N)n1 1097966269 GPCOUARLXSJYKT-LLVKDONJSA-N 318.381 -0.055 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)[C@@H]1CCNC1=O)C[C@@H](C)O2 1098619275 AKQHUOMOJGSASI-ZIAGYGMSSA-N 319.405 -0.162 30 20 DBED CCc1cc(C(=O)N[C@H]2CCN(CC#CCOC)C[C@@H]2O)n[nH]1 1099675833 RJRNRABELPRTCW-ZFWWWQNUSA-N 320.393 -0.213 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2cnsn2)[C@@H](O)C1 1099690312 NJKQHRGNHVXOSB-JQWIXIFHSA-N 310.379 -0.647 30 20 DBED C=C(Cl)CN1CC[C@H](NC(=O)CC(=O)NCC)[C@@H](O)C1 1099789872 UBEXNJSGXMIYLR-QWRGUYRKSA-N 303.790 -0.184 30 20 DBED C=CCCCN1CC[C@@H](NC(=O)c2cc(=O)n(C)cn2)[C@@H](O)C1 1099879114 FRPFGBNOUZVIGP-OCCSQVGLSA-N 320.393 -0.089 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)C(=O)NCC(F)F)[C@H](O)C1 1099902320 XMQJUSPAMVAQAW-VHSXEESVSA-N 305.325 -0.505 30 20 DBED CN(CCNC(=O)C[C@@H]1COC(=O)C1)c1ccnc(C#N)n1 1100012531 YRLZLBNNMMEFAB-JTQLQIEISA-N 303.322 -0.146 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CS(=O)(=O)CCC)[C@@H](O)C1 1100114782 SXDZYLFFZZXGJQ-OLZOCXBDSA-N 316.423 -0.614 30 20 DBED N#CCN1CC[C@H](NC(=O)CNC(=O)c2ccsc2)[C@H](O)C1 1100119984 SOANSESDXYJCAQ-NWDGAFQWSA-N 322.390 -0.447 30 20 DBED CN(CCNC(=O)CC1CS(=O)(=O)C1)c1ccc(C#N)nc1 1100219831 PIRICCVVMJPJKL-UHFFFAOYSA-N 322.390 -0.060 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CC(CNC(=O)Cc2cnoc2)C1 1100600657 BOKYVJDZZXZRRN-LKSINWNRSA-N 318.377 -0.161 30 20 DBED COC(=O)NCC(=O)NC[C@H]1CCN(c2cnc(C#N)cn2)C1 1100948803 YGWDPYWKUUWLKW-SNVBAGLBSA-N 318.337 -0.353 30 20 DBED C[C@H](CC(N)=O)C(=O)NC[C@H]1CCN(c2nccnc2C#N)C1 1101035863 MTCQVQYQLFRKTQ-GHMZBOCLSA-N 316.365 -0.198 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)CNC(N)=O)c3nccn32)C1 1101607780 XXWFHCBAWROGOO-NSHDSACASA-N 316.365 -0.853 30 20 DBED CN1C[C@@H](C(=O)N(C)CCN=c2cc[nH]cc2C#N)NC1=O 1101902664 AHOHFJNGZGBRSG-LBPRGKRZSA-N 302.338 -0.731 30 20 DBED CN(CCNc1cnc(C#N)cn1)C(=O)c1cnc(O)n1C 1101902697 BGQGHRNOIRNOJA-UHFFFAOYSA-N 301.310 -0.029 30 20 DBED C[C@H]1CN(C)C[C@@H]1C(=O)N(C)CCN=c1cc[nH]c(C#N)n1 1101970826 KXFLLKCYRLLCFW-RYUDHWBXSA-N 302.382 -0.162 30 20 DBED CN(CCNc1ccc(C#N)nn1)C(=O)CN1CCCNC1=O 1102036463 LWULMOXSEMKSPP-UHFFFAOYSA-N 317.353 -0.366 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)[C@H]1COC(=O)N1 1103945715 YPOXKDJIFWAIEI-DTWKUNHWSA-N 304.310 -0.957 30 20 DBED C[C@H](CNC(=O)Cn1nccn1)CNc1cnc(C#N)cn1 1104110258 OGZYLWNAYBXHEC-JTQLQIEISA-N 300.326 -0.196 30 20 DBED COCC#CCNCC[C@@H]1CN(C(=O)[C@H](C)NC(N)=O)C[C@H]1C 1104115383 FJQLPKQBLHEBST-HZSPNIEDSA-N 324.425 -0.233 30 20 DBED CC(C)C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)CNC(N)=O 1104907073 WLQSWZGXVYTLNU-SNVBAGLBSA-N 319.369 -0.619 30 20 DBED Cn1cc(C(=O)N2CC(n3cc(CNCC#N)nn3)C2)cn1 1105153110 MSQRRFRTTIQVCP-UHFFFAOYSA-N 300.326 -0.678 30 20 DBED CC#CCNCc1cn(C2CN(C(=O)[C@H]3CCC(=O)N3)C2)nn1 1105189667 JODPKAJOBGAZTH-CYBMUJFWSA-N 316.365 -0.947 30 20 DBED CN(CCN(C)c1ccnc(C#N)n1)C(=O)[C@@H]1CCNC(=O)C1 1105358512 SJQBXQXVOMAJLE-LLVKDONJSA-N 316.365 -0.231 30 20 DBED C[C@H](NC(N)=O)C(=O)N(C)CCN(C)c1ccnc(C#N)n1 1105379830 MYYGXTCQTZYPKB-VIFPVBQESA-N 305.342 -0.700 30 20 DBED CN(CCN(C)c1ccc(C#N)nn1)C(=O)C1CS(=O)(=O)C1 1105479930 VLBBBBFVKBSOOI-UHFFFAOYSA-N 323.378 -0.713 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)C[C@@H]2CCCO2)nn1 1105718269 KHJHCGYPWPPOSJ-NEPJUHHUSA-N 305.338 -0.194 30 20 DBED C[C@@H]1CN(C(=O)C2=COCCO2)C[C@H]1CNCC(=O)NCC#N 1105787671 UPLPXZBSYKFSRP-VXGBXAGGSA-N 322.365 -0.802 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)c2cnn(C)c2)C[C@H]1C 1105806948 GWHPJXLKEVMLQO-CHWSQXEVSA-N 317.393 -0.533 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)[C@@H]2CCC(=O)N2)nc1 1105921673 GSWCCWDWULEEIZ-QWRGUYRKSA-N 303.322 -0.879 30 20 DBED C=CCOCC(=O)N1C[C@@H](C)[C@H](CNCCS(C)(=O)=O)C1 1105942316 FYGCTIKAJVJHMH-CHWSQXEVSA-N 318.439 -0.082 30 20 DBED Cc1nonc1CC(=O)NC[C@@H](O)CNc1ccc(C#N)nc1 1105948146 VDRGWOLUHRDCMS-LBPRGKRZSA-N 316.321 -0.224 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H](O)CNc1cnc(C#N)cn1 1105970589 JZDBKNLEFSYLBR-ZYHUDNBSSA-N 303.322 -0.724 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](C)[C@H](CNC[C@@H]2CCOC2)C1 1106035303 RENKWAOUABCORF-QLFBSQMISA-N 321.421 -0.154 30 20 DBED Cc1c[nH]c(C(=O)NC[C@@H](O)CNc2cnc(C#N)cn2)n1 1106135096 LPFDHFKYQZCBON-JTQLQIEISA-N 301.310 -0.417 30 20 DBED Cc1cc(C#N)nc(NCC[C@H](C)NC(=O)[C@H]2CNC(=O)N2)n1 1106542403 GJHNPIZGXZIELK-GZMMTYOYSA-N 317.353 -0.355 30 20 DBED C=CCNC(=O)CNC[C@@H]1CN(C(=O)[C@H]2CCN(C)C2)C[C@H]1C 1106983048 SIERIUARVPTMFF-QLFBSQMISA-N 322.453 -0.076 30 20 DBED C=CCO[C@@H](C)C(=O)N1C[C@@H](C)[C@H](CNCc2nnnn2C)C1 1107062230 DXGSSKNCDSRKPU-FRRDWIJNSA-N 322.413 -0.015 30 20 DBED CN1CCO[C@@H](C(=O)NC/C=C\CNc2cncc(C#N)n2)C1 1107094350 ZSLYIQDLDJSEOP-XQJDBVBESA-N 316.365 -0.237 30 20 DBED C=CCNC(=O)CN1CCO[C@](C)(CNC(=O)CSC)C1 1107720916 RRHHSDVJHRXYLG-CQSZACIVSA-N 315.439 -0.141 30 20 DBED C=CCN1CCO[C@](C)(CNC(=O)c2cnc(O)n(C)c2=O)C1 1108113318 JKPGNXFRVNUDOO-OAHLLOKOSA-N 322.365 -0.507 30 20 DBED C=CC(C)(C)CC(=O)N[C@@H]1CC(=O)N(C2CN(CCO)C2)C1 1108548834 XNEHBCDCEGWKLU-GFCCVEGCSA-N 309.410 -0.018 30 20 DBED Cc1cc(C#N)nc(N(C)C[C@@H](C)NC(=O)Cc2nc[nH]n2)n1 1109080624 AGDJZUFRBJEERP-SNVBAGLBSA-N 314.353 -0.042 30 20 DBED C[C@@H](CN(C)c1ccc(C#N)nn1)NC(=O)[C@@]1(C)CNC(=O)C1 1109157042 VHFCRTOFPLDEST-ZUZCIYMTSA-N 316.365 -0.185 30 20 DBED C[C@H](CN(C)c1cnc(C#N)cn1)NC(=O)[C@@H]1CCN(C)C1=O 1109182605 BZTHGRYIBYRLTJ-PWSUYJOCSA-N 316.365 -0.233 30 20 DBED N#Cc1cnc(NC[C@H](NC(=O)[C@@H]2CNC(=O)N2)C2CC2)cn1 1109963335 BKRCHITTYORESC-QWRGUYRKSA-N 315.337 -0.664 30 20 DBED C[C@H]1C[C@@H](Nc2cnc(C#N)cn2)CCN1C(=O)CNC(N)=O 1110507366 KODGWEHYYTZRGH-UWVGGRQHSA-N 317.353 -0.192 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H]1CCNC1=O 1110894891 JKUXVNZKPQGNBR-SYQHCUMBSA-N 305.378 -0.506 30 20 DBED CN(C)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1110959607 STAYUHRVTLRBIO-MCIONIFRSA-N 321.425 -0.311 30 20 DBED CNC(=O)CC(=O)N(CCO)CCNc1ncccc1C#N 1111456914 AQFGCIFCZKIJDC-UHFFFAOYSA-N 305.338 -0.678 30 20 DBED Cc1nc[nH]c1C(=O)N(CCO)CCN=c1cc[nH]cc1C#N 1111487872 LPNPRJYCDQQUPV-UHFFFAOYSA-N 314.349 -0.047 30 20 DBED C[C@H](NC(N)=O)C(=O)N1C[C@@H](NCC#N)[C@H](C(F)(F)F)C1 1112087519 IAWVMSJEHSESOR-XLPZGREQSA-N 307.276 -0.454 30 20 DBED CN(CCCN(C)c1ccc(C#N)nn1)C(=O)Cc1nc[nH]n1 1112121922 MNBBWKSGVZKYPW-UHFFFAOYSA-N 314.353 -0.006 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(c2cc(F)ncn2)C[C@@H]1O 1112720688 OLWFSXSQFQUXRO-RYUDHWBXSA-N 304.325 -0.058 30 20 DBED CC(C)C#CC(=O)N1CCN(CCCN2C(=O)CNC2=O)CC1 1112833011 CXZOVXPEYILYEG-UHFFFAOYSA-N 320.393 -0.268 30 20 DBED C#CCO[C@H](C)C(=O)N1CCN(Cc2nnnn2C(C)C)CC1 1112837397 GNHZMHKENVMTHD-CYBMUJFWSA-N 320.397 -0.064 30 20 DBED C[C@H](CNC(=O)CCn1cncn1)N(C)c1nccnc1C#N 1113492578 CXIIXFNJYZPGML-LLVKDONJSA-N 314.353 -0.029 30 20 DBED C[C@H](CNC(=O)[C@@H]1COCCN1C)N(C)c1cnc(C#N)cn1 1113559660 BASGQJRPKIIARJ-YPMHNXCESA-N 318.381 -0.380 30 20 DBED C[C@H](CNC(=O)Cn1cnnc1O)N(C)c1ccc(C#N)nc1 1113569344 XLHNAVZMPXZIJI-SNVBAGLBSA-N 315.337 -0.109 30 20 DBED C[C@H](CNC(=O)[C@@H]1CCNC(=O)C1)N(C)c1ccc(C#N)nn1 1113575488 WFDQGUFRKBNAPT-GHMZBOCLSA-N 316.365 -0.185 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(c2ncccn2)CC[C@@H]1C 1114011746 UZPTVLXWJASXNL-QWHCGFSZSA-N 315.377 -0.053 30 20 DBED CCOCCNC(=O)CN1C[C@H]2C(NC(=O)C#CC(C)C)[C@@H]2C1 1114237421 LXOLAXUGGKCJHY-ZIAGYGMSSA-N 321.421 -0.155 30 20 DBED C#CCC1(C(=O)NC2[C@@H]3CN([C@H](C)C(N)=O)C[C@@H]23)CCOCC1 1114394342 AGECMDFEEDPMJF-JHJVBQTASA-N 319.405 -0.273 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)[C@H]3CCN(C)C(=O)C3)[C@@H]2C1 1114471313 DHSNJLXJFSUBQO-BFHYXJOUSA-N 319.405 -0.449 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3ccncn3)[C@H]2C1 1114993903 CLOIFITXCPNUAU-YABSGUDNSA-N 301.350 -0.561 30 20 DBED C[C@H](CN(C)C(=O)CS(C)(=O)=O)Nc1ccc(C#N)nn1 1115632921 XXKXLGPENFIZAJ-SECBINFHSA-N 311.367 -0.348 30 20 DBED C[C@H](O)CN(C)C(=O)C(=O)N1CC(Oc2ccc(C#N)cc2)C1 1117976924 VNOAMKSCDSYSMD-NSHDSACASA-N 317.345 -0.013 30 20 DBED CC#CCN(C)c1nnnn1C[C@H]1CCN(S(C)(=O)=O)C1 1120103111 AWLQYAOFZFWCTQ-NSHDSACASA-N 312.399 -0.586 30 20 DBED CCc1cc(C(=O)NC[C@@H](CO)N=c2cc[nH]cc2C#N)n[nH]1 1121135625 FVEQQRXJBAPCPH-LBPRGKRZSA-N 314.349 -0.137 30 20 DBED COC[C@H](OC)C(=O)NC[C@H](CO)Nc1ccc(C#N)cn1 1122467431 WWZRCWIWHJHDIX-NEPJUHHUSA-N 308.338 -0.496 30 20 DBED CN(C)C(=O)CC(=O)NC[C@H](CO)Nc1ccc(C#N)nc1 1122637159 RLDDQCHUDYPBOC-GFCCVEGCSA-N 305.338 -0.679 30 20 DBED Cc1nnccc1C(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1 1122850403 LMNJVJKYOIVYMM-SNVBAGLBSA-N 313.321 -0.929 30 20 DBED Cc1nnccc1C(=O)NC[C@@H](CO)N=c1cc[nH]cc1C#N 1122851377 XPGJLUOLGFPGBM-LBPRGKRZSA-N 312.333 -0.324 30 20 DBED C[C@H]1[C@@H](NC(=O)CNC(N)=O)CCCN1c1nccnc1C#N 1123512274 CSXOVMFUZSOLIL-UWVGGRQHSA-N 317.353 -0.510 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]cc1C#N)C(=O)c1ccncn1 1124466536 TUOALKHLKBYSLD-GFCCVEGCSA-N 312.333 -0.290 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C[C@@H](O)CNc1cncc(C#N)n1 1124518578 AKSJRQYSYHRBRN-AAEUAGOBSA-N 317.349 -0.382 30 20 DBED C#CCNC(=O)CC(=O)NCCN[C@H](C)c1cnc(C)cn1 1125994989 RBFRPSHISJGWSB-GFCCVEGCSA-N 303.366 -0.309 30 20 DBED C#CCCN1C[C@@H](OC)C[C@H]1c1n[nH]c(CNC(=O)COC)n1 1130256103 YLJDDEBLGKDYFU-RYUDHWBXSA-N 321.381 -0.148 30 20 DBED Cc1ncc(C(=O)N[C@H]2CC[C@@H](C)N(CC(=O)NCC#N)C2)[nH]1 1131891587 HZGFRSATUOECIF-PWSUYJOCSA-N 318.381 -0.059 30 20 DBED C[C@H]1CC[C@H](NC(=O)c2cn(C)nn2)CN1CC(=O)NCC#N 1132037929 KXZCSKQNGKYTSE-QWRGUYRKSA-N 319.369 -0.962 30 20 DBED C#CCNC(=O)CNC[C@H]1CN(C(=O)CC(C)(C)O)CC[C@@H]1C 1132782057 INXXGZCLNZOCLK-KBPBESRZSA-N 323.437 -0.029 30 20 DBED C#CCCNC[C@H]1CN(C(=O)CN2CCNC(=O)C2)CC[C@@H]1C 1133032353 YVNWXWZWBYHRIA-GJZGRUSLSA-N 320.437 -0.484 30 20 DBED C#Cc1cncc(C(=O)NCCNCC(=O)NCCCOC)c1 1133593053 LZFWKBROBXAOBP-UHFFFAOYSA-N 318.377 -0.465 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)c1cc(C)[nH]n1 1133866900 OHGJKOKDUDUWCZ-MNOVXSKESA-N 305.382 -0.046 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)C[C@H](C)NCC(=O)NC(C)C 1134131385 VMSLIJONZACIGA-STQMWFEESA-N 324.425 -0.477 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@@H]1Cc2cc(F)ccc2O1 1134581611 HFZVKINCAJKFOL-AWEZNQCLSA-N 319.336 -0.416 30 20 DBED C#CCN[C@@H](C)C[C@@H](C)NC(=O)CN1CCCCS1(=O)=O 1135009138 SPGMRSMOIHVUNO-QWHCGFSZSA-N 315.439 -0.082 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)[C@@]1(C)CCOC1 1135777098 RCMKXODWZRZONM-HNNXBMFYSA-N 310.398 -0.119 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)COCC1CC1)C2 1147045484 AMDOUNMJWZMMHN-UHFFFAOYSA-N 319.405 -0.303 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)CN2CCCNC2=O)C1 1149946930 QOTMCABWHQQQQM-CYBMUJFWSA-N 308.382 -0.758 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)[C@H](C1CC1)N(C)C 1153824060 JCZUAXQESRZHQZ-DOMZBBRYSA-N 323.441 -0.207 30 20 DBED C=CCOCC(=O)NCCCNCC(=O)NC[C@H]1CCCO1 1155731786 JJWQLGWQJGQSGR-CYBMUJFWSA-N 313.398 -0.420 30 20 DBED C#CCCN(CC)[C@H](C)CNC(=O)c1cn(C)c(=O)nc1O 1156884278 WVWBQLNUHXEWHC-LLVKDONJSA-N 306.366 -0.051 30 20 DBED C=CCN1CC=C(CCNC(=O)CNC(=O)CNC(C)=O)CC1 1160536229 BLEHZTFVJKGHEL-UHFFFAOYSA-N 322.409 -0.437 30 20 DBED N#CCNC(=O)CNCCCNC(=O)[C@@H]1CC[C@@H]2CCCCN21 1160867953 JCNIBEPRDAZFPW-KBPBESRZSA-N 321.425 -0.261 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)[C@H]1CCNC(=O)CC1 1163318372 WGVBSJJJFVZNBZ-QWHCGFSZSA-N 322.409 -0.864 30 20 DBED C=CCNCC1(CCNC(=O)CNS(=O)(=O)NC)CC1 1166408785 FJDTXIASOPDNES-UHFFFAOYSA-N 304.416 -0.898 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)c1cc(C)nc(C)n1 1168310015 CCFNNHKMRPYYMF-LBPRGKRZSA-N 317.393 -0.059 30 20 DBED C#CCNCCCC[C@@H](C)NC(=O)CN1CC(=O)N(C)C1=O 1176136284 RSUZMBRNPFXHSN-GFCCVEGCSA-N 308.382 -0.222 30 20 DBED CC(C)C(=O)N(C)CC(=O)N1CC[C@@H]2OCCN(CC#N)[C@H]2C1 1177030396 NLUFQKKNSGXMLV-KBPBESRZSA-N 322.409 -0.074 30 20 DBED C#CCNC(=O)CNCCCCCCNC(=O)C1=COCCO1 1177836902 SKODZEXZSMEWAU-UHFFFAOYSA-N 323.393 -0.110 30 20 DBED Cc1nc(C(=O)N2CC[C@H](NCC(=O)NCC#N)[C@@H]2C)co1 1178544982 XTFQEWAYHJLPGN-ONGXEEELSA-N 305.338 -0.185 30 20 DBED COCC#CCN[C@H]1CCN(C(=O)c2cn(C)c(=O)cn2)[C@H]1C 1179179226 MNCYAKCHLQTDSK-STQMWFEESA-N 318.377 -0.377 30 20 DBED CC#CCN[C@H]1CCN(C(=O)[C@@H](C)NS(C)(=O)=O)[C@H]1C 1179613588 YOZOLIYYVDNQGF-WOPDTQHZSA-N 301.412 -0.474 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H](F)C(F)(F)F)C1 1182718095 BMNNQPROBQYHGD-PSASIEDQSA-N 309.263 -0.173 30 20 DBED COCC1(C(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)CCC1 1184353615 ZYJHEIXJDAGCHL-GFCCVEGCSA-N 308.382 -0.367 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)C23CCN(CC2)C3)C1 1187127553 XUVXIPNUHNZPMD-ZIAGYGMSSA-N 320.437 -0.037 30 20 DBED N#CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3cc(F)c[nH]3)[C@@H]2C1 1188577062 IPUNBPAEESHNOA-GXFFZTMASA-N 319.340 -0.060 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H](N(C)CC(=O)NC)C2)nn1 1192723715 NMBCJKVJVWSSPV-NSHDSACASA-N 306.370 -0.644 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2snnc2C)C[C@H]1O 1192891238 JRJNMJWOLBUEOP-QJPTWQEYSA-N 324.406 -0.454 30 20 DBED N#CCNC(=O)CN1CCCN(C(=O)c2cc(C#N)c[nH]2)CC1 1195427149 PUDSPBHURRVLLM-UHFFFAOYSA-N 314.349 -0.326 30 20 DBED COCC#CCN1CCCN(C(=O)[C@]2(C)CCNC2=O)CC1 1197141176 DTGSHJCPOLBZAY-MRXNPFEDSA-N 307.394 -0.303 30 20 DBED CCn1ccc(C(=O)N2CCCN(CC(=O)NCC#N)CC2)n1 1197330653 DPOHINDTIXCLLA-UHFFFAOYSA-N 318.381 -0.309 30 20 DBED C#CCN1CCCN(C(=O)CN(C)S(=O)(=O)CC)CC1 1197660175 WMSPYQNFBDMRKN-UHFFFAOYSA-N 301.412 -0.565 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)c2cc3c([nH]2)CCC3)C1 1197704907 IWBDOKGRQLZLSB-HZPDHXFCSA-N 317.389 -0.072 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)CCNC(=O)c2ccco2)C1 1198450272 FCWLIWOFUOXGFQ-VXGBXAGGSA-N 305.334 -0.806 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2cnn(CC)n2)C[C@H]1O 1199312929 IAMWUVNRDJRPCR-MRVWCRGKSA-N 323.397 -0.450 30 20 DBED C=CCCCN1C[C@@H](O)[C@H](NC(=O)c2ccc(C(N)=O)cn2)C1 1199370069 IYQXMOSTGIJPBR-ZIAGYGMSSA-N 318.377 -0.078 30 20 DBED CCNC(=O)CCC(=O)N1CCC(NCC(=O)NCC#N)CC1 1199759345 UJOFGIFYBJRYFC-UHFFFAOYSA-N 323.397 -0.877 30 20 DBED C=C(C)CNC[C@@H]1CN(C(=O)CCn2cnnn2)CCCO1 1201712432 NZMCCNYUSQAJNQ-CYBMUJFWSA-N 308.386 -0.154 30 20 DBED C=CCN(CC=C)C(=O)CNC1CCN(C(=O)C(N)=O)CC1 1202273162 KHERQKPFPKZLMR-UHFFFAOYSA-N 308.382 -0.747 30 20 DBED C=CCOCC(=O)N[C@H]1C[C@H](NCc2nnn(C)n2)C12CCC2 1202634822 VMKXUPGYQHSFDH-RYUDHWBXSA-N 320.397 -0.070 30 20 DBED CC#CCN[C@@H]1C[C@H](NC(=O)Cn2ncn(C)c2=O)C12CCC2 1203096298 YOSIPSHATVEMPE-OLZOCXBDSA-N 317.393 -0.378 30 20 DBED C=C(C)CCN[C@@H]1CCCN(C(=O)Cn2cnc(C(N)=O)n2)C1 1208073045 AENSWGCWEXDAFY-GFCCVEGCSA-N 320.397 -0.076 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCCN(C(=O)c2cccnn2)C1 1210274780 SOEQJIXUPOJHEZ-STQMWFEESA-N 315.377 -0.191 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2ccccn2)[C@H](OC)C1 1211761921 RJMVGKOIXRASJZ-ZIAGYGMSSA-N 316.361 -0.740 30 20 DBED CCNC(=O)CN1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@H](OC)C1 1212081847 XJESDHPFOACOFI-CHWSQXEVSA-N 319.365 -0.549 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)C(C)=C2CCC2)C1 1219579275 WXJYPDFQIUATME-CFVMTHIKSA-N 319.405 -0.214 30 20 DBED CC#CCCCC(=O)N[C@@H]1CN(Cc2nnnn2C)C[C@@H]1O 1220176737 UWRMKWSOTWRZBS-NEPJUHHUSA-N 306.370 -0.935 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@H]2CCN(Cc3cn(C)nn3)C[C@H]21 1221544009 JSNHRIRAWCQDOD-UMVBOHGHSA-N 317.393 -0.114 30 20 DBED COCC#CCN1CCC(CNC(=O)[C@H]2CNC(=O)N2)CC1 1224261713 YRZUFQANROABSC-CYBMUJFWSA-N 308.382 -0.854 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC(CNC(=O)CCN(C)C)CC1 1224346528 LKQGEAMHZPFKOV-CQSZACIVSA-N 322.453 -0.096 30 20 DBED C#CCNC(=O)CC(=O)NC1CCN(CCC[C@H](C)O)CC1 1226962073 ZPUQVSMKHXVKOZ-ZDUSSCGKSA-N 309.410 -0.133 30 20 DBED C=C[C@](C)(O)CC(=O)NC1CCN(CC(=O)NCC#N)CC1 1227113575 FCAHPIDXIUOXMC-HNNXBMFYSA-N 308.382 -0.466 30 20 DBED C=CCO[C@H](C)C(=O)NC1CCN(Cc2nnn(C)n2)CC1 1230407486 RPCTYLNOURJULX-LLVKDONJSA-N 308.386 -0.118 30 20 DBED C#CCNC(=O)CC(=O)N(C)C[C@@H]1CCN1CC(=O)NC(C)C 1233808802 DAIKDBBXKJTFRC-ZDUSSCGKSA-N 322.409 -0.817 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)C[C@@](C)(O)C=C 1233979082 YEIUGQUANYRYEF-CJNGLKHVSA-N 307.394 -0.404 30 20 DBED C[C@@H]1CCCN(CCNC(=O)C(=O)N2CC[C@](O)(CC#N)C2)C1 1261463766 AUPVFYWLMAOEDU-CZUORRHYSA-N 322.409 -0.288 30 20 DBED Cn1cc(C(=O)[C@H](C#N)C(=O)N2CCCC2)c(=O)n(C)c1=O 1263290647 YIDHZDJIADZGEX-VIFPVBQESA-N 304.306 -0.971 30 20 DBED N#CCNC(=O)CN1CC[C@@H](NC(=O)c2cnn3c2CCC3)C1 1269134090 FVLFLGLPFVAJOC-LLVKDONJSA-N 316.365 -0.727 30 20 DBED C=CC[C@H](NC(=O)NCCCN(CC)S(C)(=O)=O)C(=O)O 1321110969 OIMOYEBZSWKUKA-JTQLQIEISA-N 321.399 -0.014 30 20 DBED CCCNC(=O)CCNC(=O)CCN/C(O)=C1\N=CC=CC1=O 1323189663 LUFDHNUYWFDNLW-CCEZHUSRSA-N 322.365 -0.065 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCCOCC(=C)C)C1=O 1323604153 SIKNOEMZYWXFEL-CYBMUJFWSA-N 323.393 -0.059 30 20 DBED N#C[C@H]1CC[C@@H](NC(=O)C(=O)N2CC[C@H](n3cncn3)C2)C1 1325994036 WSNYMKREVCISAR-TUAOUCFPSA-N 302.338 -0.140 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)C(=O)NCc2nc(C3CC3)no2)C1 1326108052 OKRAOGGSGMDTOI-CQSZACIVSA-N 319.321 -0.560 30 20 DBED CC#CC[C@@H](CO)NC(=O)C(=O)Nc1cccc(C(N)=O)n1 1326834836 RPAVMHQLKMVRFV-VIFPVBQESA-N 304.306 -0.991 30 20 DBED N#CCOc1cccc(CNC(=O)C(=O)N[C@H]2CCNC2)c1 1327827980 CRYKEJVUANTNAL-LBPRGKRZSA-N 302.334 -0.317 30 20 DBED C#CC[C@@H](NC(=O)N(C)[C@@H]1CCS(=O)(=O)C1)C(=O)OC 1329368105 FRNVGQSNSAIGPD-NXEZZACHSA-N 302.352 -0.620 30 20 DBED CCC[C@]1(CO)CCCN1C(=O)C(=O)N1CCO[C@H](C#N)C1 1331250789 CUZBZRKRMNLRIF-IUODEOHRSA-N 309.366 -0.109 30 20 DBED O=C(C[C@H]1CCCS(=O)(=O)C1)N[C@@H]1CCCN(O)C1=O 1332910200 ZFEUTYWPPFWAAV-NXEZZACHSA-N 304.368 -0.302 30 20 DBED C=CCn1cc(C(=O)N2CC[C@@H](n3cc(C(=O)O)nn3)C2)nn1 1339470255 HLWBMHBDZAQZIV-SECBINFHSA-N 317.309 -0.159 30 20 DBED CCN1CCN(CC(=O)[C@@H](C#N)c2ccncn2)C(=O)C1=O 1342656848 JSGHHCFHXRSDKI-JTQLQIEISA-N 301.306 -0.656 30 20 DBED C#C[C@@H](C)N(C)c1nnc(C2=NNC(=O)C2)n1C[C@H]1CCOC1 1345284180 OAQVLJKZEOTFDC-GHMZBOCLSA-N 316.365 -0.004 30 20 DBED CN(C)C(=O)NCCN(C)C(=O)C(=O)N1CCC[C@H](C#N)C1 1352968393 JVCYRSWZHUNONC-LLVKDONJSA-N 309.370 -0.522 30 20 DBED CCO[C@H]1COCC[C@@H]1NC(=O)Cn1cc(C#N)c(O)nc1=O 1362331837 XEXIBWSNSUAUPV-QWRGUYRKSA-N 322.321 -0.869 30 20 DBED CN(Cc1nccs1)C(=O)Cn1cc(C#N)c(O)nc1=O 1362416032 POSZSBUKGSXSBI-UHFFFAOYSA-N 305.319 -0.064 30 20 DBED C[C@@H](O)[C@@H]1CCCN(C(=O)Cn2cc(C#N)c(O)nc2=O)C1 1362644504 IOBPAENATQVYGR-NXEZZACHSA-N 306.322 -0.560 30 20 DBED CN(C)C(=O)O[C@@H]1CCN(C(=O)NCCn2cnc(C#N)n2)C1 1369787305 WDVOBFFDBMBXOZ-SNVBAGLBSA-N 321.341 -0.368 30 20 DBED CNC(=O)NCC(=O)N1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 1385160605 SZOKMBXXLBGSEB-SNVBAGLBSA-N 318.337 -0.854 30 20 DBED CCCS(=O)(=O)CC(=O)N[C@H]1C[C@H](NC(=O)[C@H](C)C#N)C1 1385939705 HPSIFBDWLXEWOJ-GMTAPVOTSA-N 315.395 -0.266 30 20 DBED C[C@@H](CNC(=O)[C@@H](C)C#N)NC(=O)c1cc(C(N)=O)ccn1 1387086091 NCVYHPFJMOGIAS-IUCAKERBSA-N 303.322 -0.425 30 20 DBED CCN(CCNC(=O)[C@H](C)C#N)CC(=O)NC1CCOCC1 1403826293 OONVFPGBSOQUCK-GFCCVEGCSA-N 310.398 -0.121 30 20 DBED CCO[C@@H](CC)C(=O)NC[C@H](O)CNC(=O)c1cc(C#N)c[nH]1 1410090558 FIXCENIINFHEDF-YPMHNXCESA-N 322.365 -0.092 30 20 DBED C[C@@H](O)[C@@H](NC(=O)C1CCCC1)C(=O)N1CC(O)(CC#N)C1 1412030071 ICJGCRDKXXUNBZ-ZYHUDNBSSA-N 309.366 -0.471 30 20 DBED C[C@@H](C#N)C(=O)NCC1(C)CCN(C(=O)Cn2ncnn2)CC1 1417404084 MKRSLPHFMRUBNS-NSHDSACASA-N 319.369 -0.422 30 20 DBED COc1nn(C)cc1C(=O)N(C)C[C@@H](O)CNC(=O)[C@@H](C)C#N 1444704335 JHAKCASMUVBOKE-UWVGGRQHSA-N 323.353 -0.863 30 20 DBED C[C@H](C#N)C(=O)NCCN(C)C(=O)[C@H]1CCCCS1(=O)=O 1449199270 YUVORAHBXVQUHM-GHMZBOCLSA-N 315.395 -0.312 30 20 DBED CCC[C@@H](OC)C(=O)NC[C@@H](O)CNC(=O)c1cc(C#N)c[nH]1 1452340231 ZIAQZCOKDLHMAO-WCQYABFASA-N 322.365 -0.092 30 20 DBED N#Cc1cn(CCNC(=O)[C@H]2C[C@]23CCOC3)c(=O)nc1O 1453844999 RUQHSXPFOURONL-YGRLFVJLSA-N 304.306 -0.637 30 20 DBED CC(=O)N[C@@H](C)C(=O)NCC1(NC(=O)c2cc(C#N)c[nH]2)CC1 1458847686 TWAAAFSNRZXOSN-VIFPVBQESA-N 317.349 -0.210 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)c2cncc(OC)n2)C1 1479965850 QBEXZQOMOWZBFS-LLVKDONJSA-N 317.349 -0.961 30 20 DBED C=CCNC(=O)CN1CCC[C@H](NC(=O)CNC(=O)O)[C@H]1C 1573368022 GTIRHJXCEHILOT-MNOVXSKESA-N 312.370 -0.475 30 20 DBED C=CCN1CC[C@H](N2CC[C@H](CNC(=O)CNC(=O)O)C2)C1=O 1573368794 RTVXBPYTGPSZPP-NEPJUHHUSA-N 324.381 -0.521 30 20 DBED CC(C)N1CCN(c2cnc(C#N)c(-c3nn[nH]n3)n2)CC1=O 1574290776 SXXNTVMBEUBRCP-UHFFFAOYSA-N 313.325 -0.415 30 20 DBED C#CC[C@]1(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2OC)CCCN1 1574516042 CVXFRFJQZUTPEB-NQBHXWOUSA-N 300.380 -0.940 30 20 DBED N#C[C@H]1CNCC12CC(C(=O)N1CCN3C(=O)NC[C@@H]3C1)C2 1580042682 ZJBLADPBEAZPKA-XWAURUHHSA-N 303.366 -0.638 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@@H](C)/C=C/C(=O)O 1599235941 YJHHIFLQGLHFGB-YEZKRMTDSA-N 305.356 -0.288 30 20 DBED C#Cc1ccc(Nc2c(-c3nn[nH]n3)c(=O)n(C)c(=O)n2C)cc1 1602741271 COWJYIHFKIZREI-UHFFFAOYSA-N 323.316 -0.011 30 20 DBED C=CCNC(=O)CNS(=O)(=O)[C@H]1CCCC[C@@H]1C(=O)O 1602901824 XSXUVUQMIRZXOJ-UWVGGRQHSA-N 304.368 -0.149 30 20 DBED N#CCCn1ccc(NC(=O)c2cnn(C[C@H](O)CO)c2)n1 1647289319 WOQHUJDSWVZDMD-NSHDSACASA-N 304.310 -0.401 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)CCCNC(=O)c1nccnc1N 1751953179 RRHVUTBFOZVVBI-LLVKDONJSA-N 318.381 -0.752 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)N(C)CCNCc1cnn(C)n1 1753242522 REUDBSITVWGRON-CQSZACIVSA-N 322.413 -0.166 30 20 DBED C#CCOCCC(=O)NC1CN(CC(=O)N2CCCCC2)C1 1753377511 BUSLHLAIXHYHDO-UHFFFAOYSA-N 307.394 -0.161 30 20 DBED C=CCNC(=O)[C@H](C)N1CC(CNC(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1753408503 QAERSFMFBCHBEJ-SCUASFONSA-N 307.394 -0.383 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H](CC)CNC(=O)c1cc(OC)no1 1753474099 YHZKRRNDWVMFGG-WDEREUQCSA-N 322.365 -0.081 30 20 DBED CC#CCNC[C@H](C)CNC(=O)c1c[nH]nc1S(N)(=O)=O 1753629203 JKSKWUVLZSFVMT-VIFPVBQESA-N 313.383 -0.964 30 20 DBED C[C@@H](CS(C)(=O)=O)C(=O)NC[C@H]1CN(CC#N)CCO1 1753658289 OTKPOHPEPWXJIF-QWRGUYRKSA-N 303.384 -0.992 30 20 DBED C=CCN1CC[C@@H](N(C)CCN(C)C(=O)c2nc[nH]n2)C1=O 1753865839 KLXLAHIFKNKZAN-LLVKDONJSA-N 306.370 -0.405 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCN1CC(=O)NCC#N 1754493798 GECMCFIEHFMKKK-XQQFMLRXSA-N 306.366 -0.592 30 20 DBED C=CCOCCN1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1ncnn1 1754865284 JLMQZZCBEGRCDW-KBPBESRZSA-N 320.397 -0.059 30 20 DBED C[C@@H]1C[C@H](C(=O)NCC2(NCC(=O)NCC#N)CCC2)CO1 1754990997 VINUZCVIJSRLCL-NEPJUHHUSA-N 308.382 -0.320 30 20 DBED C=CCCC(=O)N1CCC(O)(CNC[C@@H](O)COC)CC1 1755148528 YEHVEDQPQRQSDF-CYBMUJFWSA-N 300.399 -0.097 30 20 DBED CC(C)C#CC(=O)N1CCC(O)(CNCc2ncnn2C)CC1 1755148735 HOVHWGISHWZDNP-UHFFFAOYSA-N 319.409 -0.082 30 20 DBED C#CCNC(=O)CN1CC(CCO)(NC(=O)[C@H]2CC=CCC2)C1 1755330499 SSSRTMFBLHPFBM-AWEZNQCLSA-N 319.405 -0.355 30 20 DBED CC#CCN1CC(CCO)(NC(=O)c2cc(OC)n(C)n2)C1 1755333628 GYOWPSCLWQVWHC-UHFFFAOYSA-N 306.366 -0.381 30 20 DBED C=CCN1CC[C@@H](N2CC([C@@H](C)NC(=O)CNC(C)=O)C2)C1=O 1755371874 WSKFSDCQWRYNTI-BXUZGUMPSA-N 322.409 -0.654 30 20 DBED CNC(=O)[C@H](C)N(C)CCOCCNC(=O)c1ccc(C#N)[nH]1 1755540443 FXMBHMXDODXOFZ-NSHDSACASA-N 321.381 -0.301 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H](C)CN(C)C(=O)c1ccnc(O)c1 1755583249 DNZBJWKTRAAGDL-RYUDHWBXSA-N 318.377 -0.025 30 20 DBED C#CCOCCC(=O)N1C[C@@H]2CCC[C@@H](NCC(=O)NC)[C@H]2C1 1755707069 PRQAGOKYNJUHJE-SOUVJXGZSA-N 321.421 -0.011 30 20 DBED CN(C[C@@H](O)CNCC(=O)NCC#N)C(=O)c1cccc(F)c1 1755771016 DCIKCZDXODJBSW-ZDUSSCGKSA-N 322.340 -0.512 30 20 DBED C#CCNC(=O)CNC[C@H](O)CN(C)C(=O)c1[nH]ccc1C 1755777696 MDZXCRNBIXNEIO-LBPRGKRZSA-N 306.366 -0.905 30 20 DBED CN(Cc1ccc(C#N)cc1)C[C@H](O)CN(C)C(=O)CC(N)=O 1755798855 BWSHJWNEJAFESS-AWEZNQCLSA-N 318.377 -0.315 30 20 DBED C#CCOCCC(=O)N1C[C@@H]2C(CNC(=O)c3nc[nH]n3)[C@H]2C1 1756206644 NJAUUTHGJGKFRL-VXGBXAGGSA-N 317.349 -0.721 30 20 DBED C=C[C@](C)(O)CC(=O)N(C)C[C@@H](C)NC(=O)c1cnnn1C 1756447537 BVPWGEMOWDHIEU-YGRLFVJLSA-N 309.370 -0.281 30 20 DBED CC#CCCCC(=O)N[C@H](CO)CNC(=O)[C@]1(C)CCC(=O)N1 1756549134 STTGPXSJPBKWSO-LRDDRELGSA-N 323.393 -0.558 30 20 DBED CC(C)C#CC(=O)N(C)C[C@@H](O)CN(C)C(=O)[C@H]1CCOC1 1756684032 RAYWGSMXIUMPNP-UONOGXRCSA-N 310.394 -0.040 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(C(=O)c2n[nH]cc2C)C[C@H]1O 1757008896 MBUFXENGBAYGCF-VXGBXAGGSA-N 322.365 -0.388 30 20 DBED C=C(C)CCC(=O)N1C[C@@H](NC(=O)Cn2cnnn2)[C@H](OC)C1 1757115702 VNYUJQBTPCUXDJ-VXGBXAGGSA-N 322.369 -0.629 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)[C@H](C)CSC)C[C@@H]1O 1757161821 MIFUFOKWOONGGR-UTUOFQBUSA-N 316.423 -0.124 30 20 DBED CNC(=O)CNC(=S)NN=Cc1ccc(/C=C\C(=O)O)o1 1776042283 AFVYWJMZGFWMFY-XIMYRUKESA-N 310.335 -0.079 30 20 DBED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1CN(C)C1)C2 1781696427 WUTHBMQXBIYFLH-RHSMWYFYSA-N 319.405 -0.305 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)CSC(=N)N)CCO2 1783049503 BIVQKESOVQJIFZ-ZDUSSCGKSA-N 310.379 -0.924 30 20 DBED N#CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc[nH]n3)[C@H]2C1 1784678143 KQRCUKAPZNWFIG-GVXVVHGQSA-N 317.349 -0.083 30 20 DBED C=CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(N)=O)[C@H]2C1 1792284998 VZHZRYTUHHDSAX-SRVKXCTJSA-N 324.381 -0.790 30 20 DBED C[C@H](CN)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC#N 1795418550 DELMDRQEHJGNEK-NRWUCQMLSA-N 308.382 -0.525 30 20 DBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCCNC)C2)C1 1839807216 WXHDQHCKKJRRDF-INIZCTEOSA-N 323.393 -0.924 30 20 DBED N#CCCC(=O)N1CCCC12CN(C(=O)[C@@H]1C[C@H](O)CN1)C2 1842813831 HMITXLSIWVDDJR-RYUDHWBXSA-N 306.366 -0.784 30 20 DBED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)[C@@H]2CCOC2)C1 1846692997 VGCWDHMXBCKZAB-LLVKDONJSA-N 306.318 -0.686 30 20 DBED C=CCNC(=O)NC(=O)Cn1nnn(-c2ccccc2)c1=O 15374274 JRNDOYFSXRFSTJ-UHFFFAOYSA-N 302.294 -0.559 30 20 DBED C#CCNC(=O)[C@@H](C)OC(=O)c1ccc(OCC(N)=O)cc1 27928543 PSDSANXYOAOSHP-SNVBAGLBSA-N 304.302 -0.155 30 20 DBED C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H](C)C(N)=O)c1 55214476 PPOAAXJURLKBQN-VIFPVBQESA-N 311.363 -0.246 30 20 DBED C#CCN(CC(=O)O)S(=O)(=O)N1CCC[C@H]1C(=O)OCC 92479698 IZCBLDIWEMTHRW-JTQLQIEISA-N 318.351 -0.722 30 20 DBED C=CCN(C)CC(=O)N(CCOC)[C@@H]1CCS(=O)(=O)C1 121186828 UTVLFFDLXICUTO-GFCCVEGCSA-N 304.412 -0.234 30 20 DBED C[C@@]1(NS(=O)(=O)c2ccc(C#N)nc2)CCS(=O)(=O)C1 165662247 CTPSTMNUUXLZTG-LLVKDONJSA-N 315.376 -0.191 30 20 DBED CCCN(CC#N)CCn1cnc2c1c(=O)n(C)c(=O)n2C 182318218 JSLVXOWNYCZUNW-UHFFFAOYSA-N 304.354 -0.331 30 20 DBED CCN1CCC[C@@H]1CN/C(N)=N/C[C@H]1CCS(=O)(=O)C1 261975499 FWMDJRQTCXUJEK-VXGBXAGGSA-N 302.444 -0.190 30 20 DBED C[C@@H]1C[C@@H](C(=O)O)CN(c2c(C#N)c(=O)n(C)c(=O)n2C)C1 263181174 KHJNBSUYGWRMKH-RKDXNWHRSA-N 306.322 -0.497 30 20 DBED C/N=C(/NCc1ccc(C(=O)NCC(N)=O)cc1)NC1CC1 264024464 AVLCTWFAJIMDCJ-UHFFFAOYSA-N 303.366 -0.271 30 20 DBED CCN(CCC#N)C(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 269666860 WDLNRNMENPQWMT-AAXDQBDMSA-N 305.334 -0.089 30 20 DBED C=CCNC(=O)CNS(=O)(=O)c1cnn(CCOC)c1 272025676 IOCWWYIQJJBELC-UHFFFAOYSA-N 302.356 -0.890 30 20 DBED C=CCS(=O)(=O)CCNC(=O)NC[C@@]1(O)CCSC1 272849620 NICFKDJMDMMJFL-NSHDSACASA-N 308.425 -0.246 30 20 DBED Cn1c(NCCc2csc(=O)[nH]2)c(C#N)c(=O)n(C)c1=O 276543412 JGTWIYVGSUYULV-UHFFFAOYSA-N 307.335 -0.640 30 20 DBED O=C(NCC#CCO)[C@@H]1CC=CC[C@H]1C(=O)N1CCOCC1 293809490 CKAWGUVUIGHNGD-ZIAGYGMSSA-N 306.362 -0.461 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(C)C[C@@H]2CCCCO2)C1=O 299498426 JYECJBRXSPORTR-NSHDSACASA-N 323.349 -0.009 30 20 DBED O=C(C/N=C(/O)N[C@H]1CC(=O)N(C2CC2)C1)N1CCOCC1 329253134 YXTWZJNZBOBZGW-JTQLQIEISA-N 310.354 -0.888 30 20 DBED Cn1nnnc1C/N=C(/O)[C@@H]1COCCN1CC(F)(F)F 329402076 YKPOEUHIGCCDLK-ZETCQYMHSA-N 308.264 -0.070 30 20 DBED Cn1nnc(C/N=C(/O)N2CCN(C/C(O)=N/C3CC3)CC2)n1 330218891 JTXARHGPYSYGRM-UHFFFAOYSA-N 322.373 -0.639 30 20 DBED CCN(C[C@H](C)C#N)C(=O)CN1CC[C@@H](S(N)(=O)=O)C1 330471458 NUZOVJUZDWULRE-GHMZBOCLSA-N 302.400 -0.643 30 20 DBED CCN(CCC#N)S(=O)(=O)NC[C@@H]1CN2CCN1CC2 336913179 ZMPNJRLWQPFXSE-GFCCVEGCSA-N 301.416 -0.944 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N(C)CC(C)(CO)CO 336953357 WQRQGVLPEVYXCF-NSHDSACASA-N 307.416 -0.365 30 20 DBED CC(C)(CO)CCCNS(=O)(=O)N1CCO[C@@H](C#N)C1 337068176 MFBMZCMLAPHFDG-NSHDSACASA-N 305.400 -0.156 30 20 DBED N#Cc1ccc(NC(=O)C(=O)N2CCC[C@@H](OCCO)C2)nc1 340030305 MZIKKZGUNJWPNL-GFCCVEGCSA-N 318.333 -0.108 30 20 DBED C[C@H]1CS(=O)(=O)C[C@@H]1NS(=O)(=O)c1ccc(C#N)o1 341981974 TVNVCGNYRWJMKU-CBAPKCEASA-N 304.349 -0.137 30 20 DBED N#CCNC(=O)CNC(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O 343521253 IMNINVVMGMCRPT-QWRGUYRKSA-N 320.349 -0.692 30 20 DBED COC(=O)CN(CC#N)C(=O)c1ccc(-n2cnnn2)cc1 348797044 IKOAFZMLAHHMCZ-UHFFFAOYSA-N 300.278 -0.199 30 20 DBED COCCOc1ccc(NC(=O)NCC(=O)NCC#N)cn1 353259465 MMYMBXCXOMHBNB-UHFFFAOYSA-N 307.310 -0.132 30 20 DBED COCCC(=O)N1CCN([C@@H](C)C(=O)N(C)CCC#N)CC1 355725815 GYKAVGKWKYLELT-ZDUSSCGKSA-N 310.398 -0.072 30 20 DBED Cc1cc(N(C)C)ccc1NC(=O)C(=O)NCC(=O)NCC#N 357311332 OXKUIJJPTVPCED-UHFFFAOYSA-N 317.349 -0.245 30 20 DBED CC(C)CCn1ccc(NC(=O)C(=O)NCC(=O)NCC#N)n1 357313199 XDCMAINXUFQYRF-UHFFFAOYSA-N 320.353 -0.376 30 20 DBED CNC(=O)[C@@H]1CCCN(S(=O)(=O)N(C)C[C@@H](C)C#N)C1 407957687 PBEWFJPTUZFLHY-WDEREUQCSA-N 302.400 -0.219 30 20 DBED CC(=O)N[C@H]1CCCN(C(=O)COc2cnc(C#N)nc2)C1 488724646 CAZSCHPDGKCVEX-NSHDSACASA-N 303.322 -0.146 30 20 DBED C#CCNC(=O)CN1CCN(Cc2nc(COC)no2)CC1 491218864 ARQVQCQPVDLMCK-UHFFFAOYSA-N 307.354 -0.917 30 20 DBED C=CCNC(=O)CNC(=O)c1cc(S(N)(=O)=O)cnc1C 563390640 VDKOFNICMQCNOE-UHFFFAOYSA-N 312.351 -0.931 30 20 DBED C=CCN(CCOC)C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 564660149 DNTQFZQWHOIJAC-LLVKDONJSA-N 305.400 -0.136 30 20 DBED COCCN([C@H](C)C(=O)O)S(=O)(=O)N(C)C[C@H](C)C#N 573254854 AWFILQWUHXAVTA-NXEZZACHSA-N 307.372 -0.256 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N(CC(=O)O)CC(=O)O 575049874 SBLQTGJJFQDWBN-QMMMGPOBSA-N 307.328 -0.816 30 20 DBED N#Cc1cc(O)cc(C(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)c1 589190347 ZXKYZYOTLLQXIB-LLVKDONJSA-N 300.274 -0.360 30 20 DBED COC(=O)[C@](C)(CO)NCC(=O)NCc1cccc(C#N)c1 595526225 HRCOJQKKNTYYEV-HNNXBMFYSA-N 305.334 -0.312 30 20 DBED N#CCCN1CCN(C(=O)C(=O)N2[C@H]3CCNC[C@H]2CC3)CC1 601585027 VUMXTWQFHKQKPJ-ZIAGYGMSSA-N 319.409 -0.603 30 20 DBED CNC(=O)[C@H](CC(C)C)NS(=O)(=O)N1CCO[C@H](C#N)C1 619712703 HRDLQSZEHNDLFR-MNOVXSKESA-N 318.399 -0.794 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)C(C)(C)CNC(C)=O)CC1 651039310 CHWFHRVVGVOOGG-UHFFFAOYSA-N 324.425 -0.405 30 20 DBED C=CC[C@H]1CCCN(C(=O)C(=O)N2CCN(C)C[C@@H]2CN)C1 662948395 WFKGSKQBEAQEQK-KBPBESRZSA-N 308.426 -0.098 30 20 DBED C#Cc1ccc(C(=O)N2CCN(CC(=O)N(C)C)CC2)nc1 728857702 VPNBKGUJEZCJIV-UHFFFAOYSA-N 300.362 -0.091 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCCN(C)S(=O)(=O)CC 730098176 YJMHFGFANXEQFC-ZDUSSCGKSA-N 315.439 -0.128 30 20 DBED O=C(O)CSCC(=O)NCCN/C(O)=C1\N=CC=CC1=O 740487023 FZPSTUVTHIYVHA-VAWYXSNFSA-N 313.335 -0.553 30 20 DBED C#CCOc1ccc(NC(=O)C(=O)N[C@H]2CC(=O)N(C)C2)cc1 749687083 OSJPZVVQFIMCMW-LBPRGKRZSA-N 315.329 -0.016 30 20 DBED N#Cc1cc(COC(=O)C2CCN(S(N)(=O)=O)CC2)ccn1 754725349 SKUYYDNGNNPFLM-UHFFFAOYSA-N 324.362 -0.088 30 20 DBED CS(=O)(=O)CCNN=Cc1cnc(N2CCOCC2)s1 755734629 UDORWALWZJCCPL-UHFFFAOYSA-N 318.424 -0.052 30 20 DBED CCOC(=O)CON=C(C(=O)N[C@@H](CO)C1CC1)c1cc[nH]n1 772516881 FDRPMZSNQPHJHE-NSHDSACASA-N 324.337 -0.419 30 20 DBED C#C[C@H](NC(=O)C1CCN(S(C)(=O)=O)CC1)[C@H]1CCCO1 772896780 JZZFIRFGBSIGGR-QWHCGFSZSA-N 314.407 -0.045 30 20 DBED C[C@H]1C(=O)N(C)CCN1C(=O)C(=O)Nc1cnn(CC#N)c1 784784610 ORUZXPGBHCKJBS-VIFPVBQESA-N 304.310 -0.966 30 20 DBED C#CCC[C@H](O)CNC(=O)NCCS(=O)(=O)NC(C)C 798392596 BWJLJLIXQAYWKW-NSHDSACASA-N 305.400 -0.612 30 20 DBED C=C[C@@H](O)C(=O)OCC(=O)N(CC)[C@@H]1CCS(=O)(=O)C1 814548376 TUZORXQSZKYYOZ-NXEZZACHSA-N 305.352 -0.888 30 20 DBED Cn1c(=O)n(CC(=O)N[C@H]2CCCN(O)C2=O)c2ccccc21 816753692 NOAJAYVGFMBDEB-JTQLQIEISA-N 318.333 -0.164 30 20 DBED C#CCN(CC(=O)NCc1nnn(C)n1)C(=O)OC(C)(C)C 834679824 YJZNWOMNRXAUAT-UHFFFAOYSA-N 308.342 -0.303 30 20 DBED C#C[C@@H](NC(=O)NCCOCCS(N)(=O)=O)C(C)(C)C 854139013 CBWXBXYXNAKHBY-SNVBAGLBSA-N 305.400 -0.361 30 20 DBED COC(=O)CCNC(=O)COC(=O)c1cccc(C#CCO)c1 860079538 OEBUTEBQYORFQK-UHFFFAOYSA-N 319.313 -0.134 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)OC 870356587 FWZBWDTWNZYLHX-SRVKXCTJSA-N 309.366 -0.734 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N1[C@@H](C)[C@@H](C)NC(=O)[C@H]1C 921897704 UBMCBYKYAZSYAV-OUAUKWLOSA-N 317.411 -0.106 30 20 DBED Cn1nnc(C(=O)NC[C@@H]2CCCCN2C(=O)C#CC2CC2)n1 937396593 PQXGBZXDUMZSLW-LBPRGKRZSA-N 316.365 -0.266 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](NC(=O)c2cnc3[nH]nnc3c2)C1 941095212 KZNCBDSLKIRUAS-WCBMZHEXSA-N 313.321 -0.157 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCN(CC(=O)NC)C[C@H]2C)nn1 943480508 DTMXOVIDOWAPOF-NEPJUHHUSA-N 320.397 -0.350 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2CCCN2C(=O)C(N)=O)cn1 944247637 WTJZKKLLWTTZBA-GFCCVEGCSA-N 300.318 -0.731 30 20 DBED COCC(=O)N1CCO[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 944531474 BPBCOZILOKAZGY-NSHDSACASA-N 306.322 -0.510 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(O)(CN[C@H]2CCN(C)C2=O)CC1 946919089 XUJAQIXNUIMHGU-RYUDHWBXSA-N 308.382 -0.680 30 20 DBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C1CN(C(=O)C(N)=O)C1 954381549 ZAUVHBMSLCVAKR-RYUDHWBXSA-N 309.366 -0.488 30 20 DBED Cn1nnnc1CN1C[C@H]2[C@H](NC(=O)c3cc(C#N)c[nH]3)[C@H]2C1 958499227 BCGMCLZXKCOZOI-IWIIMEHWSA-N 312.337 -0.730 30 20 DBED Cn1ncc2cc(C(=O)NC[C@H]3CN(CC#N)C[C@@H]3O)cnc21 958525448 IBHNOXYZKWVUDN-STQMWFEESA-N 314.349 -0.486 30 20 DBED Cc1nc[nH]c1C(=O)N(C)[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 958888060 NXCBXGGRAKHCPP-STQMWFEESA-N 316.361 -0.225 30 20 DBED CC#CCN1C[C@H]2[C@H](NC(=O)[C@H]3C[C@H](OC)CN3C(C)=O)[C@H]2C1 961358047 MHAFPKRWVAKEFL-AALSBFMBSA-N 319.405 -0.308 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)[C@H]3CC(=O)N(C)C3)C[C@@H]2C1 961733807 VUWKDCQIJAWHOJ-ZDEQEGDKSA-N 318.377 -0.459 30 20 DBED C=CCCN1C[C@H]2C(NC(=O)[C@H]3CCN(C)S3(=O)=O)[C@@H]2C1 962011280 PNWOFRQQEKNEBF-IJLUTSLNSA-N 313.423 -0.357 30 20 DBED Cc1ccc(CC(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)cn1 963542553 PRLKOUXPPNMBIC-HONMWMINSA-N 316.361 -0.220 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H]2CN(C(=O)C3(C(N)=O)CC3)C[C@H]21 963828493 NYALQDKCTPAUPQ-GRYCIOLGSA-N 318.377 -0.139 30 20 DBED N#Cc1ccc(C(=O)N2CCC[C@@H](NC(=O)C(N)=O)CC2)[nH]1 965130837 IYGBYWZITNTLKD-SECBINFHSA-N 303.322 -0.517 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)C(N)=O)C[C@@H]2C)cn1 966748545 DJWUCUHXWINFSE-JOYOIKCWSA-N 300.318 -0.875 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@@H]3COC(=O)N3)C[C@@H]2O)C1 970395015 MWSMYJCQFSAQNR-VWYCJHECSA-N 323.349 -0.861 30 20 DBED Cn1c(C(=O)N2CC[C@]3(CN(CC#N)CCO3)C2)cnc1O 972494165 OSMPNFAOZTZKKQ-AWEZNQCLSA-N 305.338 -0.434 30 20 DBED C#CCCN1CCO[C@]2(CCN(C(=O)Cc3nc[nH]n3)C2)C1 972631843 OYRBDAKWGPNNBY-OAHLLOKOSA-N 303.366 -0.326 30 20 DBED C=C(C)CN1C[C@H](NC(=O)CN2CCNC(=O)C2)C(C)(C)C1 974907610 AQMOBUBVYAAJSU-ZDUSSCGKSA-N 308.426 -0.179 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)C[C@@H]3CCCC(=O)N3)[C@H]2C1 976897885 VTGOWWVTHWTWLC-TVEHIPJCSA-N 318.377 -0.222 30 20 DBED C=CCN1C[C@H]2[C@H](CNC(=O)c3nc(O)nc(O)c3OC)[C@H]2C1 978944841 YSBWSKHMJACXQY-OWUUHHOZSA-N 320.349 -0.010 30 20 DBED Cc1nc(C(=O)N2CC[C@H](NCC#N)[C@@H]2C)nn1-c1nc[nH]n1 986635792 QDBJDGBIEWFWOV-WPRPVWTQSA-N 315.341 -0.590 30 20 DBED C=CCN[C@@H]1C[C@H](C)N(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 989567713 FVBBOGIMBMNTMD-WDEREUQCSA-N 316.365 -0.164 30 20 DBED Cn1ccc(CC(=O)NC2CN(C(=O)c3cc(C#N)c[nH]3)C2)n1 991317485 OZHRKPAUVJVCEX-UHFFFAOYSA-N 312.333 -0.197 30 20 DBED C=CCn1cc(C(=O)NC2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)nn1 991672821 GTVNSXXVZRSFFU-MWLCHTKSSA-N 320.309 -0.930 30 20 DBED C[C@H](C#N)C(=O)N1CC(NC(=O)c2cc(C(N)=O)cs2)C1 993901460 QWOLQPXRXSUTAK-SSDOTTSWSA-N 306.347 -0.053 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)c2cccc(C(N)=O)n2)C1 994324763 QCRCRYXXVHYIMR-QMMMGPOBSA-N 301.306 -0.719 30 20 DBED C=CCn1cc(C(=O)N2CC(NC(=O)[C@H]3CO[C@H](C)C3)C2)nn1 994641571 MULLPNWZERKAQC-GHMZBOCLSA-N 319.365 -0.170 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN(C(=O)C[C@H]2CCCO2)C1 994751077 MESXCWZCYOMZLU-CABCVRRESA-N 319.405 -0.020 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN(C(=O)Cc2cnc[nH]2)C1 994754636 NPUUAZKCBWSKEV-AWEZNQCLSA-N 315.377 -0.623 30 20 DBED N#Cc1cc(C(=O)N2CC(NC(=O)[C@]3(F)CCOC3)C2)c[nH]1 998137060 UHKLGXWAHSKAMM-AWEZNQCLSA-N 306.297 -0.044 30 20 DBED N#CCN[C@H]1CCCN(C(=O)c2ccc(S(N)(=O)=O)o2)C1 999596156 JUCFXUFCCHNYMN-VIFPVBQESA-N 312.351 -0.355 30 20 DBED Cn1cnc(C(=O)NCc2cn([C@H]3CCN(CC#N)C3)nn2)c1 999977450 CEVPFNHJCOVCAL-LBPRGKRZSA-N 314.353 -0.288 30 20 DBED C=CCN1CCC(NC(=O)Cn2ncn3nccc3c2=O)CC1 1003721624 BBQWDWJFTGQHTQ-UHFFFAOYSA-N 316.365 -0.342 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@@H](C)[C@H](NC(=O)C(N)=O)C2)cn1 1005218924 SRNUKODOKRPMTN-ZWNOBZJWSA-N 314.345 -0.485 30 20 DBED NC(=O)CC(=O)N1CC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1007616111 XYOOFNZPEAABRP-INIZCTEOSA-N 319.361 -0.895 30 20 DBED O=C(C[C@H]1CCC(=O)N1)NC1[C@H]2CN(C(=O)C#CC3CC3)C[C@H]12 1013398996 PLMVCPLVNVSTLZ-AGIUHOORSA-N 315.373 -0.359 30 20 DBED Cn1[nH]c(CN[C@H]2C[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)nc1=O 1020058089 YZWHZPOHPGTJCL-MGCOHNPYSA-N 315.337 -0.641 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](NCc2nnn(C)n2)C1 1020604779 NTQYBESQYBBGQB-KKOKHZNYSA-N 306.370 -0.462 30 20 DBED COCCN1C[C@H](C(=O)NC[C@@H]2CCCCN2CC#N)CC1=O 1024468333 MUMCDJGEYUSCFU-KGLIPLIRSA-N 322.409 -0.024 30 20 DBED CC(C)c1n[nH]cc1C(=O)N[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1O 1024537104 CBWJFNFKYPUEAD-YUSALJHKSA-N 319.365 -0.006 30 20 DBED C=C(C)CN1CC(NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 1031116330 MCVPOEGDKOJGQP-UHFFFAOYSA-N 302.338 -0.552 30 20 DBED C#CCN1CC[C@H](N(C)C(=O)[C@H]2CC(=O)N(CCOC)C2)C1 1033128345 KKYFVVRSPQALPL-KBPBESRZSA-N 307.394 -0.353 30 20 DBED CN(C(=O)Cc1ccc(C(N)=O)nc1)[C@@H]1CCN(CC#N)C1 1033196927 XBAPKVDQMJHEGN-GFCCVEGCSA-N 301.350 -0.221 30 20 DBED CC#CCN1CCO[C@H](CNC(=O)[C@@H]2CCNC(=O)CC2)C1 1035459005 HFQRDTYAUYGIPI-UONOGXRCSA-N 307.394 -0.257 30 20 DBED N#CCN1CCO[C@H](CNC(=O)c2cc(C(N)=O)ccn2)C1 1035625917 WIQDAUZNVAFTMN-LLVKDONJSA-N 303.322 -0.865 30 20 DBED Cc1ccc(=O)n(CC(=O)N2CC[C@@H](NCC#N)[C@H](C)C2)n1 1036264832 LNMLUSSYFQEFEE-DGCLKSJQSA-N 303.366 -0.098 30 20 DBED CC#CCN1CC[C@@H]2CN(C(=O)CN3CCNC(=O)C3)CC[C@@H]21 1036792767 VENGWRXIRJENCH-CABCVRRESA-N 318.421 -0.636 30 20 DBED N#Cc1ccccc1CN1CC[C@H]1CNC(=O)[C@H]1CNC(=O)N1 1038655249 VYNNTXIILSMHAV-UONOGXRCSA-N 313.361 -0.070 30 20 DBED N#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1ccc(O)nc1=O 1039401043 HCHNMLOTQBABDI-NEPJUHHUSA-N 317.349 -0.462 30 20 DBED C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CN1CC(=O)NC1=O 1039453108 IEITXUFGMCEJJQ-NEPJUHHUSA-N 306.366 -0.211 30 20 DBED CC(C)C#CC(=O)NC[C@]1(O)CCN(C(=O)c2ccnn2C)C1 1039664533 RVLROLAXOGNPLZ-MRXNPFEDSA-N 318.377 -0.227 30 20 DBED N#Cc1cncc(N2C[C@@H](O)[C@H](NC(=O)c3ccccn3)C2)n1 1040909508 JXEMSHAPVNIQRL-CHWSQXEVSA-N 310.317 -0.277 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2cc(C)no2)C1 1041438166 ISYREJBJGYUMIM-NSHDSACASA-N 323.349 -0.123 30 20 DBED C#CCCN1CC[C@@]2(CCN(C(=O)C[C@@H]3CC(=O)NC3=O)C2)C1 1041860871 KPLZWBUBHLYMLN-SUMWQHHRSA-N 317.389 -0.013 30 20 DBED CC1(C(=O)N2CC(O)(CNC(=O)c3ccc(C#N)[nH]3)C2)CC1 1042612798 JZBZZSCZFXKNLH-UHFFFAOYSA-N 302.334 -0.010 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)[C@]2(F)CCOC2)C1 1042805047 JJFAFNDIAPYZHA-HNNXBMFYSA-N 312.341 -0.392 30 20 DBED CCn1ccnc1C(=O)NCC1(O)CN(C(=O)[C@H](C)C#N)C1 1042820708 NTKUBYCWKWJDPQ-SNVBAGLBSA-N 305.338 -0.634 30 20 DBED Cc1[nH]nc(C(=O)N2CC(O)(CNC(=O)C#CC(C)C)C2)c1O 1042936408 GZDMQMPFLLRRHK-UHFFFAOYSA-N 320.349 -0.614 30 20 DBED COCCCOCC(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042960580 LYMOPKLXIGXWBO-UHFFFAOYSA-N 324.377 -0.858 30 20 DBED C[C@@]1(C(=O)N2CC(O)(CNC(=O)C#CC3CC3)C2)CCOC1 1042961385 WJSTUVVUFRFNTD-OAHLLOKOSA-N 306.362 -0.484 30 20 DBED C=C(C)CCC(=O)NCC1(O)CN(C(=O)Cn2cncn2)C1 1043316213 ZTNUVBDEOIZMFC-UHFFFAOYSA-N 307.354 -0.676 30 20 DBED C=CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2nonc2C)C1 1043577306 VRQJSIMEZWYUTF-JTQLQIEISA-N 324.337 -0.728 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)c2cnnn2CC)C1 1044455927 NSEXVKXFOHGICW-UHFFFAOYSA-N 321.381 -0.187 30 20 DBED CN(C)CCC(=O)NCC1(O)CN(C(=O)c2cc(C#N)c[nH]2)C1 1045710509 UYCKIOOWVIKVDF-UHFFFAOYSA-N 319.365 -0.859 30 20 DBED C=C1CCC(C(=O)NCC2(O)CN(C(=O)CNC(C)=O)C2)CC1 1045768762 PWYREMHJCPFUHH-UHFFFAOYSA-N 323.393 -0.442 30 20 DBED C=CCN1CC[C@H](N2CCN(C(=O)[C@H]3COC(=O)N3)CC2)C1 1046027428 MBYPEBRTMOKSCZ-QWHCGFSZSA-N 308.382 -0.501 30 20 DBED N#Cc1cnc(N[C@H]2C[C@@H](CNC(=O)[C@H]3CCNC3=O)C2)cn1 1046529894 VJZWMBJWNXFVOF-UMNHJUIQSA-N 314.349 -0.209 30 20 DBED CN(C(=O)CSCC#N)[C@H]1CN(C(=O)c2cc[nH]c2)C[C@@H]1O 1048301420 AKBZBXVMVSFAFY-RYUDHWBXSA-N 322.390 -0.085 30 20 DBED CC(C)C#CC(=O)N(C)[C@H]1CN(C(=O)c2n[nH]cc2F)C[C@@H]1O 1048813570 FLWROODXQFOVFI-RYUDHWBXSA-N 322.340 -0.148 30 20 DBED C#CCN1C[C@H]2CN(C(=O)[C@H]3CN4CCC[C@H]4CO3)C[C@H]2C1 1048833447 NYIJJAHPIONJTJ-XUWVNRHRSA-N 303.406 -0.127 30 20 DBED CCn1nccc1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)C#N)C1 1049395016 PLTIDYRMBDDZKI-DRZSPHRISA-N 319.365 -0.294 30 20 DBED CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)CN1CCOCC1=O 1049519901 AYHFDZXRHDBDRH-LSDHHAIUSA-N 319.405 -0.066 30 20 DBED C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)CN1CCOCC1=O 1049522404 PRJSYLVYRUKJRT-ZIAGYGMSSA-N 305.378 -0.456 30 20 DBED CC(C)C#CC(=O)N[C@H](C)[C@H]1CCN(C(=O)Cn2cnnn2)C1 1049969293 QYAMDCQRLBTZRD-OLZOCXBDSA-N 318.381 -0.314 30 20 DBED C#CCCN1CCOC[C@@H]1CNC(=O)c1nccnc1C(N)=O 1051234580 CBAZKGHHXBGMSP-NSHDSACASA-N 317.349 -0.971 30 20 DBED C#CCN1CCN([C@@H]2CCN(C(=O)[C@@H]3COCCO3)C2)CC1 1051987032 LOKWKDNDNLPYDD-CABCVRRESA-N 307.394 -0.747 30 20 DBED C=CCOCC(=O)N1C[C@@H](C)[C@@H](CNC(=O)c2ncn(C)n2)C1 1052222076 WQTNPCZWOPXLKY-NEPJUHHUSA-N 321.381 -0.158 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC2(C1)CN([C@H]1CCN(C)C1=O)C2 1053191089 LTUHCKJWDSKPBX-RYUDHWBXSA-N 306.366 -0.710 30 20 DBED C=CCCN1CC2(C1)CN(C(=O)c1c[nH]c(=O)cn1)CCO2 1053398237 ZPLYRPQRFBVAKW-UHFFFAOYSA-N 304.350 -0.127 30 20 DBED C#CCCN1CC2(CC[C@@H](CNC(=O)[C@H]3COCCO3)O2)C1 1053578203 AVWCMDAFVJOUMQ-UONOGXRCSA-N 308.378 -0.225 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1COC2(C1)CN(CC(N)=O)C2 1053954128 JDVWZIDQYRFBTD-OBJOEFQTSA-N 323.393 -0.588 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)[C@H]3CCc4c[nH]nc4C3)CO2)C1 1054014201 JOYKJXJSHORLQN-WCQYABFASA-N 315.377 -0.002 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@@H]2CN(C(=O)[C@@H](C)OC)C[C@@H]2C1 1055205385 QWGFXGNEWWIARP-SYQHCUMBSA-N 308.378 -0.024 30 20 DBED CN1C[C@@H](C(=O)N2CCN(c3ccnc(C#N)n3)CC2)NC1=O 1055975065 YRJYEMKZCNQULZ-JTQLQIEISA-N 315.337 -0.980 30 20 DBED C[C@@]1(C(=O)N2CCN(c3cncc(C#N)n3)CC2)CCNC1=O 1056018668 KCMVTHUUTUSNHL-OAHLLOKOSA-N 314.349 -0.477 30 20 DBED C[C@@H](C#N)C(=O)N[C@@]1(CO)CCCN(C(=O)c2cn(C)cn2)C1 1056094929 YWNKURQGTSVFPG-NHYWBVRUSA-N 319.365 -0.337 30 20 DBED N#Cc1cnc(N2C[C@H]3C(NC(=O)c4cnnc(O)c4)[C@@H]3C2)cn1 1056332910 BACDRTFAIFFRJO-GHMZBOCLSA-N 323.316 -0.292 30 20 DBED CC(=O)N1CC(C(=O)N2CC[C@@H](Nc3nccnc3C#N)C2)C1 1056617616 BBNPKACZFINPIP-GFCCVEGCSA-N 314.349 -0.161 30 20 DBED CN1CC[C@H](C(=O)N2CC[C@@H](N=c3cc[nH]c(C#N)n3)C2)C1 1056642296 IBYQZKSKJRRABO-NWDGAFQWSA-N 300.366 -0.265 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H]1CCN(C(=O)C[C@H]2CCNC2=O)C1 1056716311 KYPSLNJSMJIHMV-DGCLKSJQSA-N 313.361 -0.086 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)CCCn1cncn1 1057168876 URUBHBVQNCLAAB-UHFFFAOYSA-N 323.397 -0.038 30 20 DBED N#Cc1cnc(N2CCCN(C(=O)[C@@H]3CNC(=O)N3)CC2)cn1 1057216215 IBTUWGSMTSTVJJ-NSHDSACASA-N 315.337 -0.932 30 20 DBED C=C[C@@](C)(O)CC(=O)N(CCO)CCNC(=O)c1ccc[nH]1 1057450722 XKQRZBMDGGYHOI-OAHLLOKOSA-N 309.366 -0.108 30 20 DBED N#Cc1cnc(N[C@@H]2CCCN(C(=O)Cn3ncnn3)C2)cn1 1057697251 BMOKOKOMHARKLG-SNVBAGLBSA-N 313.325 -0.562 30 20 DBED CC(=O)N1CC(C(=O)N[C@H]2CCN(c3ccc(C#N)nn3)C2)C1 1058335905 INZPXYXYRWYMOT-ZDUSSCGKSA-N 314.349 -0.479 30 20 DBED N#Cc1nccc(N2CC[C@H](NC(=O)C[C@H]3CCNC3=O)C2)n1 1058465695 XIRFPXUMUPGKHM-MNOVXSKESA-N 314.349 -0.431 30 20 DBED Cc1ncc(C(=O)N(CCO)CCNC(=O)[C@H](C)C#N)n1C 1058498857 HTACKICMXFDFJJ-SNVBAGLBSA-N 307.354 -0.561 30 20 DBED C=CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)c1cccnn1 1058532313 UINNQMRHQWPPPP-LBPRGKRZSA-N 322.365 -0.382 30 20 DBED COC(=O)c1nc(=N[C@H]2CCN(C(=O)[C@@H](C)C#N)C2)cc[nH]1 1058853888 SGVGNOIHOVNCMK-UWVGGRQHSA-N 303.322 -0.142 30 20 DBED C=CCOCC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H](C)OC 1061365368 ALDBIZRXVDIWBJ-NEPJUHHUSA-N 300.355 -0.433 30 20 DBED C=CCCC(=O)NC[C@H]1COCCN1C(=O)CCn1cncn1 1061396631 KMPXURHPMLCBHL-ZDUSSCGKSA-N 321.381 -0.022 30 20 DBED CCNC(=O)CC(=O)NC[C@H]1COCCN1C(=O)[C@H](C)C#N 1061519229 YPLWJJYQVAQPMX-MNOVXSKESA-N 310.354 -0.984 30 20 DBED C=CCCC(=O)N1CCOC[C@H]1CNC(=O)c1cc(=O)n(C)o1 1061531727 KGNORYGEMRWILB-LLVKDONJSA-N 323.349 -0.098 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CCCCN1C(=O)c1nnn(C)n1 1062309159 ZZRAFGJHNNXXLV-VHSXEESVSA-N 305.342 -0.519 30 20 DBED N#Cc1ccc(N2C[C@@H]3C[C@H]2CN3C(=O)CCn2cncn2)nn1 1062438350 IVTLHTGQZBDLLB-STQMWFEESA-N 324.348 -0.180 30 20 DBED C#CCNC(=O)CC(=O)NCC1(NC(=O)C(C)(F)F)CCC1 1062828734 KAQJOLCXBKJSOA-UHFFFAOYSA-N 315.320 -0.064 30 20 DBED C#CCOCCC(=O)NCC1(NC(=O)Cn2nccn2)CCC1 1063040141 ISABRWDQYTUBAE-UHFFFAOYSA-N 319.365 -0.527 30 20 DBED C#CCOCCC(=O)N1CCO[C@@H](CNC(=O)c2ncc[nH]2)C1 1065149466 BSLULAOCKZIVQH-LBPRGKRZSA-N 320.349 -0.593 30 20 DBED CN(C(=O)c1cc[nH]c1)[C@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1065626655 WCXZKIFRAKPOGW-STQMWFEESA-N 312.333 -0.002 30 20 DBED COCCC(=O)N1CCN([C@H]2CCN(C(=O)[C@@H](C)C#N)C2)CC1 1065711189 JESQXVPMEJEPPI-KBPBESRZSA-N 322.409 -0.072 30 20 DBED C=CCOCC(=O)N[C@H]1CCCN(C(=O)[C@@H]2CCC(=O)N2)CC1 1065985494 QUBZEUCRHXMDGZ-STQMWFEESA-N 323.393 -0.035 30 20 DBED C[C@@H]1CN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C[C@@H]1N=c1cc[nH]c(C#N)n1 1067179517 YGPMEMDDEVZODM-KLFGWDPYSA-N 313.361 -0.079 30 20 DBED C=CCOCC(=O)N[C@@H]1COC2(C1)CN(C(=O)c1cnco1)C2 1068764824 YSZDPTVFMDQXCC-NSHDSACASA-N 321.333 -0.023 30 20 DBED CC#CCCCC(=O)N1CC2(C[C@@H](NC(=O)C(N)=O)CO2)C1 1068993070 SCDYBBXSJGHKHN-LLVKDONJSA-N 307.350 -0.849 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CCCN(C(=O)CNC(C)=O)C1 1070369072 HRZIQXQJFDKWQP-DOMZBBRYSA-N 311.382 -0.443 30 20 DBED C#CCCN1C[C@@H](NC(=O)CN2CCOCC2=O)CC[C@@H]1C 1071574871 QPJWWILLUAZHSS-KBPBESRZSA-N 307.394 -0.162 30 20 DBED CC#CCN1CCC2(C1)CN(C(=O)[C@@H]1COCCN1C(C)=O)C2 1073441217 BTSUYADOEYJPFL-HNNXBMFYSA-N 319.405 -0.209 30 20 DBED C#CCCN1CCO[C@@H]2CCN(C(=O)c3ncn(C)n3)C[C@H]21 1074224955 AWPCGFGODYMLAV-CHWSQXEVSA-N 303.366 -0.246 30 20 DBED C=CCN1CCO[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)C[C@@H]21 1074399998 NAHBFRFWSDAFNF-NWDGAFQWSA-N 322.365 -0.974 30 20 DBED N#CCN1CCO[C@H]2CCN(C(=O)c3c[nH]c(C(N)=O)c3)C[C@H]21 1074404962 KLFXOSKNDKBQPF-OLZOCXBDSA-N 317.349 -0.448 30 20 DBED CC(C)C#CC(=O)N1CC[C@@H](NC(=O)CNC(N)=O)C[C@@H]1C 1074818543 ILFGAZGZUBRFGH-NWDGAFQWSA-N 308.382 -0.190 30 20 DBED C#CCOCCC(=O)N[C@@H](C)CCNC(=O)[C@H]1CC(=O)N(C)C1 1076891905 IQZDQYWAUMMULA-STQMWFEESA-N 323.393 -0.484 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H](C)CCNC(=O)c1cncnc1O 1077077180 LJKLPTIYSMFISM-QWRGUYRKSA-N 320.349 -0.155 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)c2ncn(C(C)(C)C)n2)C1 1077674380 SUZNMDUTPFIZII-VXGBXAGGSA-N 305.382 -0.169 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H](C)CCNC(=O)Cc1nc[nH]n1 1078594279 BHSKMHFRTRPQHR-HZMBPMFUSA-N 309.370 -0.315 30 20 DBED C#CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)c2cnon2)C1 1079776485 HHFGOAPHGWLODV-SNVBAGLBSA-N 306.322 -0.219 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)N(C)C)C[C@H]1C 1079878332 SQSQHZQHLINHMH-KFWWJZLASA-N 320.437 -0.391 30 20 DBED CC(=O)N[C@H](C)C(=O)NC1(CO)CCN(C(=O)[C@@H](C)C#N)CC1 1080703094 OWEPLLMGFPPRON-WDEREUQCSA-N 324.381 -0.860 30 20 DBED C=CCOCCCC(=O)NC[C@@H]1CN(C(=O)COC)C[C@@H]1O 1081376752 MYVNUHOVRMXYTM-OLZOCXBDSA-N 314.382 -0.449 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)c2n[nH]cc2F)C[C@@H]1O 1081441136 DYJYJZRBGFIGLG-PWSUYJOCSA-N 322.340 -0.099 30 20 DBED C#CCCCC(=O)N1C[C@H](CNC(=O)CCOCC#C)[C@@H](O)C1 1081487965 BFOVHIWCYQUGGB-GJZGRUSLSA-N 320.389 -0.235 30 20 DBED C#CCC1(C(=O)NC[C@@H]2CN(C(C)=O)C[C@@H]2O)CCOCC1 1081534503 WTKJQCRTXYBUIR-KGLIPLIRSA-N 308.378 -0.238 30 20 DBED C#CCCCCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2nc[nH]n2)C1 1081652431 AVSAJKCKXCFIDK-NEPJUHHUSA-N 319.365 -0.453 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@@H]2CCc3n[nH]cc3C2)[C@H](OC)C1 1082324390 MIUKZIYSNSDANR-KCPJHIHWSA-N 302.378 -0.037 30 20 DBED C=CCCN1C[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)[C@H](OC)C1 1082360931 AXOGXRZDLLEPLG-VXGBXAGGSA-N 324.381 -0.728 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2cn(CCC(C)C)nn2)C1 1083773672 WJSXEMYRJRXVAE-OCCSQVGLSA-N 305.382 -0.268 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)c2cccn3c(O)nnc23)C1 1083948171 QXNQCDSRLGHPLK-NEPJUHHUSA-N 315.333 -0.767 30 20 DBED C#CCN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CN(C(C)=O)CCO1 1085410972 WOWHBIHKBSYKDL-RBSFLKMASA-N 307.394 -0.116 30 20 DBED C=CCCn1cc(C(=O)NC[C@H]2C[C@H](N[C@@H](C)C(N)=O)C2)nn1 1086501487 CPOOBYJFJXEAHB-SRVKXCTJSA-N 320.397 -0.174 30 20 DBED CC[C@@H]1[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)CCN1CC#N 1087593045 MHWJBOUJDXBDPD-NWDGAFQWSA-N 319.365 -0.960 30 20 DBED CCN(c1ccc(C#N)nn1)[C@H](C)CNC(=O)c1nnn(C)n1 1089723625 AICGADHVNZOFLK-SECBINFHSA-N 315.341 -0.483 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cnn(CCOC)c2C)[C@@H](O)C1 1090259022 QVRPLKKZSZNHHC-GJZGRUSLSA-N 320.393 -0.364 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2nnn(C(C)(C)C)n2)[C@@H](O)C1 1090278933 IDTQXPVHIIQPDC-RYUDHWBXSA-N 320.397 -0.384 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@H]1O 1090489175 YABFMILMLWWMOQ-MRVWCRGKSA-N 314.345 -0.343 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(c2nccnc2F)C[C@H]1O 1090489853 HFHQJKFCUZFBDJ-GMTAPVOTSA-N 308.313 -0.680 30 20 DBED CN(C)CCC(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1O 1090524681 ALVCTSRZEMDZGM-ZIAGYGMSSA-N 303.366 -0.429 30 20 DBED NC(=O)C(=O)N[C@H]1CCN(CC#Cc2ccccc2)C[C@H]1O 1090533271 YETQJZBQDYVDJE-UONOGXRCSA-N 301.346 -0.925 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2cn(CC=C)nn2)[C@@H](O)C1 1090639128 VYGJRLTVAHAITB-OCCSQVGLSA-N 303.366 -0.348 30 20 DBED N#CCN1CC[C@H](NC(=O)C2(N3CCOCC3)CCC2)[C@H](O)C1 1090686836 QCMCZEDTBLKADJ-UONOGXRCSA-N 322.409 -0.684 30 20 DBED C#CCN1CC(n2cc(CNC(=O)[C@H]3C[C@H]3OCC)nn2)C1 1094276370 NCMOMWXWKNDBDJ-UONOGXRCSA-N 303.366 -0.191 30 20 DBED C#CCN1CC(n2cc(CNC(=O)c3c[nH]c(C#N)c3)nn2)C1 1094285456 JCTOCDVDBODQBD-UHFFFAOYSA-N 309.333 -0.102 30 20 DBED C=C(C)CN1CC(N2C[C@@H](NC(=O)Cc3cc[nH]n3)CC2=O)C1 1094717375 IZKTWIMWYREFDR-ZDUSSCGKSA-N 317.393 -0.070 30 20 DBED C#CCOCCC(=O)NCCCN(C)c1ccc2nnnn2n1 1095644510 YFWFHYMGKSNWIX-UHFFFAOYSA-N 317.353 -0.498 30 20 DBED CN(C)C(=O)CC(=O)N[C@@H]1CCCN(c2cncc(C#N)n2)C1 1096238510 YZSWBDOGMOXIOB-LLVKDONJSA-N 316.365 -0.088 30 20 DBED CS(=O)(=O)CC(=O)N[C@@H]1CCN(c2nccnc2C#N)C1 1096342944 MCFOYQKNYBOLND-SECBINFHSA-N 309.351 -0.912 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1C[C@H](Nc2cnc(F)cn2)C1 1097015203 WEWZXERKUVFGLI-MGCOHNPYSA-N 305.313 -0.186 30 20 DBED C[C@H](CNC(=O)[C@@H]1CCCS1(=O)=O)Nc1ccc(C#N)nn1 1097883868 SEXLSKGCNPGKEN-KOLCDFICSA-N 323.378 -0.158 30 20 DBED COCC(=O)N(C)CC(=O)NC[C@H](C)Nc1cnc(C#N)cn1 1098329758 NKBJKEHBKUDANE-JTQLQIEISA-N 320.353 -0.630 30 20 DBED C#CCCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C[C@H]1CC(=O)NC1=O 1098523338 WDDFVEHBIOSBQF-LOWDOPEQSA-N 303.362 -0.216 30 20 DBED N#CCNCc1cn([C@H]2CCN(C(=O)Cc3cnc[nH]3)C2)nn1 1098738791 AXOFNTBYUNAYFY-ZDUSSCGKSA-N 314.353 -0.370 30 20 DBED C=CCCC(=O)N[C@H]1CCN(CCN2CCNC2=O)C[C@H]1O 1099731015 YLLISZSCLAWDJT-QWHCGFSZSA-N 310.398 -0.471 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(Cc2cnns2)C[C@H]1O 1099737735 CXZFLMQFKZTKKX-NWDGAFQWSA-N 312.395 -0.208 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(Cc2nc(CC)no2)C[C@H]1O 1099738119 JADMTOXJVYGYCT-NWDGAFQWSA-N 324.381 -0.114 30 20 DBED C=CC(C)(C)CC(=O)N[C@@H]1CCN(CC(=O)NCC#N)C[C@H]1O 1099850002 LFGMVDBMJZNMLB-CHWSQXEVSA-N 322.409 -0.220 30 20 DBED CNC(=O)CCCC(=O)NCCN(C)c1nccnc1C#N 1100039215 PJQXTFYAMNWCEK-UHFFFAOYSA-N 304.354 -0.183 30 20 DBED Cc1ccc(C#N)c(N(C)CCNC(=O)C2CS(=O)(=O)C2)n1 1100165564 XDRVVSKYEKCRKC-UHFFFAOYSA-N 322.390 -0.141 30 20 DBED CCNC(=O)NC(=O)CNC1CC(CNC(=O)C#CC(C)C)C1 1100309257 NANIWSNRGGTPJA-UHFFFAOYSA-N 322.409 -0.024 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H]1CCN(c2cc(C)ncn2)C1 1100974015 MSZJWXDTXBIEJU-ZDUSSCGKSA-N 315.377 -0.133 30 20 DBED COCC#CCN1C[C@@H]2CN(C(=O)c3ncn(C)n3)C[C@]2(C)C1 1101222099 AZVKMUXOOOTGKV-CJNGLKHVSA-N 317.393 -0.141 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)[C@H]2CCCCO2)C1 1101877858 NKKKTYCUELYJKL-RBSFLKMASA-N 321.421 -0.011 30 20 DBED CO[C@@H](C(=O)N(C)CCN=c1cc[nH]c(C#N)n1)[C@H]1CCOC1 1101881931 RRICTEDNDDURQK-SMDDNHRTSA-N 319.365 -0.308 30 20 DBED C=CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)Cn2ccnc2)C1 1102614029 IZYIYKZNYHRHEP-ZIAGYGMSSA-N 319.409 -0.131 30 20 DBED CN(C(=O)CCNC(N)=O)[C@@H]1CCN(c2ccnc(C#N)n2)C1 1102709976 QPMJSIJNOPJUAE-SNVBAGLBSA-N 317.353 -0.556 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)c1cc(=O)n(C)o1 1103941888 PGFBIEJSBBVLFH-VIFPVBQESA-N 316.321 -0.460 30 20 DBED COC[C@@H](C)C(=O)NC[C@@H]1CN(c2ccc(C#N)nn2)CCO1 1104310192 PSZJMLZWHINMSL-DGCLKSJQSA-N 319.365 -0.048 30 20 DBED C[C@@H]1CN(C(=O)CN2CCN(C)C(=O)C2)C[C@H]1CCNCC#N 1104367273 NRSJFNZPZINBEK-ZIAGYGMSSA-N 321.425 -0.642 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)[C@H]1CC(=O)N(C)C1 1104844001 FRMFCBJZBMNREE-QWRGUYRKSA-N 316.365 -0.493 30 20 DBED C#CCCNCc1cn(C2CN(C(=O)[C@@H]3CCCO3)C2)nn1 1105147482 WZXXQOFWFKQOBQ-AWEZNQCLSA-N 303.366 -0.047 30 20 DBED CN(CCN(C)c1ccnc(C#N)n1)C(=O)[C@@H]1CCC(=O)NC1 1105599888 RWOYKBZDWOGSIR-LLVKDONJSA-N 316.365 -0.231 30 20 DBED COC(=O)NCC(=O)NC[C@H](O)CNc1nc(C)ccc1C#N 1105723747 VPMDWEVMBMDGPH-NSHDSACASA-N 321.337 -0.493 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)c2ccc(O)nn2)cn1 1105734809 FAGKJPQEBAHMNA-NSHDSACASA-N 314.305 -0.348 30 20 DBED N#Cc1cnc(NC[C@@H](O)CNC(=O)[C@H]2CCC(=O)N2)c(F)c1 1105751139 VXUVFUJJRILFIQ-MWLCHTKSSA-N 321.312 -0.740 30 20 DBED CC(=O)N(C)CC(=O)NC[C@H](O)CNc1ncccc1C#N 1105755843 XSAQTKDIZQXKED-LBPRGKRZSA-N 305.338 -0.679 30 20 DBED N#Cc1nc(=NC/C=C\CNC(=O)C(=O)NCC(F)F)cc[nH]1 1107402252 GMIKOHINZAJAFG-UPHRSURJSA-N 324.291 -0.764 30 20 DBED C[C@H](CNc1ccc(C#N)nc1)NC(=O)[C@H]1CCS(=O)(=O)N1 1107780880 VNKZQTVDHQDSHB-BXKDBHETSA-N 323.378 -0.438 30 20 DBED C=CCNC(=O)CN1CCO[C@](C)(CNC(=O)c2cocn2)C1 1107813056 MBBBNRIJGQKPTH-OAHLLOKOSA-N 322.365 -0.203 30 20 DBED C[C@H](CN=c1cc[nH]cc1C#N)NC(=O)[C@H]1CCCNC1=O 1107989928 HLAZNLLKZQSXKL-PWSUYJOCSA-N 301.350 -0.182 30 20 DBED COc1cc(C(=O)N[C@@H](C)CN=c2cc[nH]c(C#N)n2)ncn1 1108541721 IETXVSRIAINULC-VIFPVBQESA-N 313.321 -0.201 30 20 DBED Cc1cc(C#N)nc(N(C)C[C@H](C)NC(=O)Cn2cnnn2)n1 1108850318 NOJOOZRQFFTVFE-JTQLQIEISA-N 315.341 -0.716 30 20 DBED COC[C@@H](OC)C(=O)N[C@H](C)CN(C)c1ccc(C#N)nn1 1109219666 MZRUDLBVRHQXKL-ZYHUDNBSSA-N 307.354 -0.049 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H](C)COC 1110386688 UZMHVUKOEKYFHG-SYQHCUMBSA-N 307.394 -0.260 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@]1(O)CCN(c2nc(C)ns2)C1 1111098883 XIVIFKQASYVRKD-IINYFYTJSA-N 324.406 -0.058 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)[C@H]1CN(c2nccc(C)n2)C[C@@H]1O 1111190653 LWXOGVYYIGDDKE-IHRRRGAJSA-N 318.377 -0.169 30 20 DBED N#Cc1ccc(NCCN(CCO)C(=O)[C@@H]2CCNC2=O)cn1 1111534952 JAIRPPGIDTUONE-CYBMUJFWSA-N 317.349 -0.678 30 20 DBED CNC(=O)NCC(=O)N(CCO)CCNc1ccc(C#N)nc1 1111578655 MOFHLQKQNFARME-UHFFFAOYSA-N 320.353 -0.885 30 20 DBED N#CCNC[C@]12CCC[C@H]1CN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)C2 1112529163 JTOGTPIFISDCEV-JFILPPLUSA-N 320.393 -0.239 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(c2cnc(F)cn2)C[C@@H]1O 1112702323 QFKKESLJECCLBP-QWRGUYRKSA-N 310.329 -0.268 30 20 DBED C#CCCCC(=O)N1CCN(C[C@H](O)COCCOC)CC1 1112809456 HGZJKXZXTVCWFU-HNNXBMFYSA-N 312.410 -0.042 30 20 DBED C[C@H](CNC(=O)CNC(=O)C1CC1)N(C)c1cnc(C#N)cn1 1113504900 IRFOQYDRZYPRDA-SNVBAGLBSA-N 316.365 -0.185 30 20 DBED C[C@@H](CNC(=O)c1c[nH]c(=O)cn1)N(C)c1nccnc1C#N 1113849913 RMFXLXZCLRKOTB-VIFPVBQESA-N 313.321 -0.314 30 20 DBED COC[C@@H](OC)C(=O)NC[C@H](C)N(C)c1cncc(C#N)n1 1113856695 CUAVWNUOAQGNBY-CMPLNLGQSA-N 307.354 -0.049 30 20 DBED CC(C)n1nnnc1CN1C[C@H]2C(NC(=O)[C@H](C)C#N)[C@@H]2C1 1114064202 NQMDBZZWKMFYMN-GMTAPVOTSA-N 303.370 -0.040 30 20 DBED CC1(C)CN(c2ncccc2C#N)C[C@H]1NC(=O)CNC(N)=O 1114424617 ZMEZSSGCKSNEEW-LLVKDONJSA-N 316.365 -0.047 30 20 DBED N#Cc1nccc(N2C[C@H]3C(CNC(=O)Cn4cncn4)[C@@H]3C2)n1 1114549454 JVPQWQRGACAWLS-RYUDHWBXSA-N 324.348 -0.562 30 20 DBED CC(C)CN1CCN(C(=O)C(=O)N2CC[C@](F)(C#N)C2)CC1=O 1117954423 HYQFYZXXZQOJPJ-HNNXBMFYSA-N 324.356 -0.223 30 20 DBED C#CC1CCN(C(=O)C(=O)N2CCC(C(=O)NOC)CC2)CC1 1119084875 FISZTBBPYBVFJX-UHFFFAOYSA-N 321.377 -0.226 30 20 DBED C[C@H](CN(C)C(=O)c1cnnc(O)c1)N=c1cc[nH]c(C#N)n1 1120230135 XXGDJLCTIIRALW-SECBINFHSA-N 313.321 -0.162 30 20 DBED C=CC(C)(C)Cn1nnnc1N1CC[C@@H]2OCC(=O)N[C@H]2C1 1120247574 XCIKKOQZLIXDCL-QWRGUYRKSA-N 306.370 -0.021 30 20 DBED Cc1nc(C)c(C(=O)NC[C@@H](CO)N=c2cc[nH]c(C#N)n2)o1 1121250569 PIATZWSTRYJYGQ-JTQLQIEISA-N 316.321 -0.422 30 20 DBED CC[C@@H](C(=O)NC[C@@H](CO)Nc1nc(C)cc(C#N)n1)N(C)C 1121812871 QTDCHLDHZSZFKU-STQMWFEESA-N 320.397 -0.114 30 20 DBED CCn1cnc(C(=O)NC[C@H](CO)Nc2nccnc2C#N)c1 1121855544 XKPRMVGJFJEAHZ-SNVBAGLBSA-N 315.337 -0.233 30 20 DBED C[C@@H]1CCCN1CC(=O)NC[C@@H](CO)Nc1cnc(C#N)cn1 1122525916 GOLJRLPHHVBGNI-YPMHNXCESA-N 318.381 -0.278 30 20 DBED C[C@@H]1CCO[C@@H]1C(=O)NC[C@H](CO)Nc1ccc(C#N)nn1 1122586078 TXIUNMXNFVTVSY-XWIASGKRSA-N 305.338 -0.338 30 20 DBED C#CCNC(=O)CC(=O)NCCNCc1ncnn1C(C)C 1125978351 OOZCTFBYVDSVNZ-UHFFFAOYSA-N 306.370 -0.796 30 20 DBED C#CCNC(=O)CC(=O)NCCNC[C@@H](O)c1ccccc1F 1125998102 KBYBQMBAUURBRB-CQSZACIVSA-N 321.352 -0.296 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)Cn1cccc(C)c1=O 1127189227 IWTIBUWMYIEAMN-CYBMUJFWSA-N 320.393 -0.447 30 20 DBED C=CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)CCNC(N)=O)C1 1129428096 RYGWXJFFVHXDDX-NEPJUHHUSA-N 321.385 -0.746 30 20 DBED COCC#CCNC[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(C)=O)n1 1130173297 KIANJJRSBOPKSF-STQMWFEESA-N 321.381 -0.447 30 20 DBED C#CCCN1CCOC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](C)C#N)n1 1130834519 AUEMXKQNTCOEPT-NWDGAFQWSA-N 316.365 -0.023 30 20 DBED C[C@@H](O)CCCN1CCNC(=O)CCN(C(=O)[C@H](C)C#N)CC1 1131339533 GVSNQKWDYYNNER-ZIAGYGMSSA-N 324.425 -0.042 30 20 DBED COCC#CCN1C[C@H](NC(=O)Cc2nc[nH]n2)CC[C@@H]1C 1132416413 FCOAATAAMRWRMR-QWHCGFSZSA-N 305.382 -0.034 30 20 DBED C=CCN1C[C@@H](NC(=O)CNC(=O)Cn2cncn2)CC[C@H]1C 1132513051 NMJRUIWLUJEMJB-OLZOCXBDSA-N 320.397 -0.451 30 20 DBED C[C@@H](C[C@@H](C)NCC(=O)NCC#N)NC(=O)CCc1nc[nH]n1 1134040958 ALDNHGXNPJXQHK-MNOVXSKESA-N 321.385 -0.750 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)Cc1ccnn1C 1134224124 PPCIBGCFMLTRGS-OLZOCXBDSA-N 319.409 -0.415 30 20 DBED C#CCOCCC(=O)N[C@@H](C)C[C@H](C)NCc1nnnn1C 1134373071 QVHPDJXCTCASIY-RYUDHWBXSA-N 308.386 -0.377 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CN(Cc2cnnn2C)CCCO1 1149406613 JMAQOXVBLIYUMY-YPMHNXCESA-N 306.370 -0.318 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)C[C@@H]2CCC(=O)NC2)C1 1149842463 UXABCGIPYFCBDG-KBPBESRZSA-N 307.394 -0.257 30 20 DBED C=CCCN1CCCO[C@H](CNC(=O)C[C@@H]2NC(=O)NC2=O)C1 1149854143 GEGXSIXLXAMLJL-NEPJUHHUSA-N 324.381 -0.632 30 20 DBED COCC#CCN1CCCO[C@@H](CNC(=O)c2cnon2)C1 1150461504 FURLHVUQAYAINF-LBPRGKRZSA-N 308.338 -0.460 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)[C@@H](CC(C)C)C(N)=O)C1 1150831301 LHWTUPCKKVQAFV-KGLIPLIRSA-N 309.410 -0.026 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)c1c[nH]c(C(N)=O)c1 1151185320 VLAXBEUFKICVLP-SECBINFHSA-N 307.354 -0.876 30 20 DBED C=CCCOCC(=O)NCCNC[C@H]1CCS(=O)(=O)C1 1153085685 HMJQVHVVQDNRQS-GFCCVEGCSA-N 304.412 -0.280 30 20 DBED C#CCCN(C)C[C@H]1CCCCN1C(=O)CS(=O)(=O)NC 1158885780 AAYRQRPYFNMKNC-CYBMUJFWSA-N 315.439 -0.128 30 20 DBED CN1CCC[C@H]1CCC(=O)NCCCNCC(=O)NCC#N 1160268176 VHQWKRWTFIPJEO-ZDUSSCGKSA-N 309.414 -0.404 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NCCCN[C@@H](C)C(=O)NC 1167677996 NVKDGGTWOWSVQW-AAEUAGOBSA-N 312.414 -0.312 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)CCN1CCCC1=O 1176342103 FQQHEZWKNCQSAZ-ZDUSSCGKSA-N 322.409 -0.767 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)CS(=O)(=O)CC)C[C@H]21 1177150408 MEWMCUQNTFARJH-OLZOCXBDSA-N 314.407 -0.644 30 20 DBED CCOCCNC(=O)CN[C@H]1CCN(C(=O)[C@H](C)C#N)[C@H]1C 1178366329 AFGUVPIQWXKIJE-AGIUHOORSA-N 310.398 -0.122 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)c2cncn2C)[C@H]1C 1179079368 ITGRCXKGJSFDRF-AVGNSLFASA-N 317.393 -0.249 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)C23CCN(CC2)C3)[C@H]1C 1179929830 XBLUHCSSKLLLAK-KBPBESRZSA-N 318.421 -0.589 30 20 DBED CNC(=O)CCCCC(=O)N1CC[C@@H](NCC(=O)NCC#N)C1 1188272525 GTCKFJKOLZUJEL-GFCCVEGCSA-N 323.397 -0.877 30 20 DBED CN(CCS(C)(=O)=O)[C@H]1CCN(C(=O)CSCC#N)C1 1188958311 FIONCMJXLDNBCB-NSHDSACASA-N 319.452 -0.180 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)[C@H](CC)N(C)C)[C@@H]2C1 1189144100 LPMSAIAYBOZZTC-SOUVJXGZSA-N 320.437 -0.391 30 20 DBED C=CCOCC(=O)N1CC[C@@H](N(C)CCS(C)(=O)=O)C1 1189378993 DFBWNNDFWKMVHA-GFCCVEGCSA-N 304.412 -0.234 30 20 DBED COCC#CCN(C)[C@@H]1CCN(C(=O)c2cc(=O)n(C)o2)C1 1189859172 YDAZGFXKPJQKFH-GFCCVEGCSA-N 307.350 -0.226 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@H]1CCN(C(=O)c2cnnn2C)C1 1189935012 TWHDGPFWZNIMNP-RYUDHWBXSA-N 318.381 -0.901 30 20 DBED C=CCO[C@H](C)C(=O)N1CC[C@H]2CN(CC(=O)NC(N)=O)C[C@H]21 1190449822 GYOUKQAWYWZCRF-GRYCIOLGSA-N 324.381 -0.695 30 20 DBED C[C@@H](c1ncccn1)N1C[C@@H](O)[C@H](NC(=O)CSCC#N)C1 1191149295 LXSAEPMGGYKPSB-QJPTWQEYSA-N 321.406 -0.044 30 20 DBED C#CCCCC(=O)N[C@@H]1CN([C@H]2CCN(CC=C)C2=O)C[C@H]1O 1192503764 KMKRTHWFZUEGFQ-QLFBSQMISA-N 319.405 -0.262 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN([C@@H]2CCN(C(C)C)C2=O)C[C@H]1O 1192805175 UAHBVYGVRZRVIP-RBSFLKMASA-N 321.421 -0.184 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@H]1CCN(C(=O)CCN(C)CC)C1 1193280246 VJBWZXFKRLATNP-CABCVRRESA-N 322.453 -0.001 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H](OC)C(C)C)C1 1195871671 SELTWRPAAKLDGS-BZPMIXESSA-N 313.398 -0.879 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@]23CCCC[C@H]2C3)C1 1196003499 DXORUBWWIXNXDP-CFAJVAMVSA-N 319.405 -0.523 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)CCN2CCCC2=O)C1 1198736527 WVEMPBHDPYGSFC-VXGBXAGGSA-N 315.801 -0.087 30 20 DBED C[C@H](O)CNC[C@@H]1CN(C(=O)CSCC#N)CCCO1 1199911658 AOFNOLLIBQUPAJ-NWDGAFQWSA-N 301.412 -0.169 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)[C@@H]2CCNC(=O)C2)CC1 1200057732 VAYKDZDMIFKNMY-GFCCVEGCSA-N 322.409 -0.605 30 20 DBED C#CCNC(=O)CNC[C@H]1CN(C(=O)C2CC(C)C2)CCCO1 1200239909 VAVGFLMQRJBMNH-NRXISQOPSA-N 321.421 -0.011 30 20 DBED Cc1ccc(=O)n(CC(=O)N2CCCO[C@H](CNCC#N)C2)n1 1201908024 IISHUUPHYUYSIO-CYBMUJFWSA-N 319.365 -0.718 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)[C@H]2CCCN2C)[C@H](C)C1 1206585968 JCZMFPVLIOMEKA-MGPQQGTHSA-N 308.426 -0.181 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)CC2CCOCC2)[C@H](C)C1 1206689989 PDGOOCBBTADHBZ-UKRRQHHQSA-N 321.421 -0.011 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)CC(=O)NCC)C1 1207878770 YZFYEROLEPOZKZ-CHWSQXEVSA-N 322.409 -0.769 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)Cn2ccnc2C)[C@H](C)C1 1211038152 GIOAKCGRMLXSHB-TZMCWYRMSA-N 317.393 -0.623 30 20 DBED COCC#CCN1C[C@@H](NC(=O)c2cc(C)n(C)n2)[C@H](OC)C1 1211947376 UYDGEEXEWORENV-HUUCEWRRSA-N 320.393 -0.193 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2oncc2C)[C@H](OC)C1 1213661959 LDMVOMKZTVBZHG-VXGBXAGGSA-N 320.349 -0.839 30 20 DBED CC#CCN[C@@H]1CN(C(=O)[C@H](CCC)S(N)(=O)=O)C[C@H]1C 1215228464 QLVOXAKCJJIJRT-UPJWGTAASA-N 315.439 -0.097 30 20 DBED C#CCCCC(=O)N[C@@H]1CN([C@H]2CCCN(C)C2=O)C[C@@H]1O 1219539363 ICRNCHVGOUILRO-RDBSUJKOSA-N 307.394 -0.428 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2cnc(C)o2)C[C@@H]1O 1219605565 WLBNDHPDBNSFPH-HONMWMINSA-N 307.350 -0.317 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)c2cccnc2C)C1 1220235144 BJAOQTBGJUJTKG-CABCVRRESA-N 303.362 -0.185 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 1220298776 FHFLPSVUVWTFKT-QLFBSQMISA-N 313.442 -0.064 30 20 DBED COCC#CCN1CC[C@@H]2CN(C(=O)CN(C)C(C)=O)[C@@H]2C1 1221296508 PVJNUQVATMOTFN-HUUCEWRRSA-N 307.394 -0.353 30 20 DBED C=CCOCCN[C@@H]1CCCC[C@H]1NC(=O)Cn1cnnn1 1224706148 RIPNEWYADFFXEF-CHWSQXEVSA-N 308.386 -0.107 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCCC[C@H]1N[C@H](CC)C(N)=O 1225789277 QRZLDGVVUYYOAZ-JHJVBQTASA-N 322.409 -0.593 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)c2c[nH]nc2CC)CC1 1228124604 VIUNRLIIPWNTIH-UHFFFAOYSA-N 317.393 -0.084 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCN(C)C1 1230138829 RPTCIIVPWIZYSF-RRFJBIMHSA-N 320.437 -0.296 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)Cc1cncnc1 1234019157 CXARJQJDQXJQFK-AWEZNQCLSA-N 315.377 -0.699 30 20 DBED CN(C[C@@H]1CCN1Cc1nc(=O)n(C)[nH]1)C(=O)C#CC1CC1 1234179666 XYKZPSPFCSAQIM-LBPRGKRZSA-N 303.366 -0.446 30 20 DBED N#CCCNC(=O)COC(=O)c1ccnc(-n2cncn2)c1 1252026702 VZHMNXTXGYTQSS-UHFFFAOYSA-N 300.278 -0.151 30 20 DBED CC(=O)NC[C@H]1CCCCN1C(=O)C(=O)N1CCO[C@@H](C#N)C1 1261809976 PDGGUCJUTXKJBT-OLZOCXBDSA-N 322.365 -0.745 30 20 DBED C#CCNC[C@@H]1CCCCN1C(=O)CN1C(=O)CN(C)C1=O 1275048839 ZFIQQSCXCZCRCV-LBPRGKRZSA-N 306.366 -0.516 30 20 DBED Cc1ccn(C)c(=O)c1NC(=O)C(=O)N1CCO[C@@H](C#N)C1 1319796331 OKHIDACQYHDGJR-JTQLQIEISA-N 304.306 -0.617 30 20 DBED C#CCSCCNC(=O)C(=O)N[C@H]1CCN(C(C)C)C1=O 1322793509 YLFHLFSMMFEYHD-NSHDSACASA-N 311.407 -0.406 30 20 DBED COCCN(CCC#N)C(=O)C(=O)Nc1cccn(C)c1=O 1324356768 IDZLWFZIZBTXOT-UHFFFAOYSA-N 306.322 -0.288 30 20 DBED C=CCn1cc(CNC(=O)N2CC[C@H](S(C)(=O)=O)C2)nn1 1325949499 WKEUQQDGDPPBMW-NSHDSACASA-N 313.383 -0.207 30 20 DBED COC(=O)[C@@]1(C)CCN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)C1 1328427116 RMTPRISVAFMIAK-GJZGRUSLSA-N 323.349 -0.725 30 20 DBED CNC(=O)[C@H]1CN(C(=O)C(=O)N2CCC[C@@H](CC#N)C2)CCO1 1330418417 MEVWHYLHNKPJOD-NWDGAFQWSA-N 322.365 -0.888 30 20 DBED C=CCOCCNC(=O)C(=O)N1CCO[C@H](COCC)C1 1331458431 UPQNUQYGRAJELX-LBPRGKRZSA-N 300.355 -0.431 30 20 DBED C=C[C@@H](COC)NC(=O)N1CCC(n2cc(C(N)=O)nn2)CC1 1331531894 GNDRTCMUZZWWEG-JTQLQIEISA-N 322.369 -0.076 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N[C@H](C)c1ncnn1C 1334207599 JENFEYHZDUZMSC-LLVKDONJSA-N 307.354 -0.509 30 20 DBED C=C(C)CCC(=O)N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 1337052355 KAFSSZDDHMAMPT-STQMWFEESA-N 316.423 -0.043 30 20 DBED Cc1ccc(CNC(=O)C(=O)N2CCO[C@@H](C#N)C2)c(=O)n1C 1343450159 DNXQHXASCPINQJ-LBPRGKRZSA-N 318.333 -0.939 30 20 DBED C=CCN(C(=O)[C@@H](O)c1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1344741700 XJEBHWDNBBYWFV-NEPJUHHUSA-N 313.379 -0.345 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N1CC[C@](F)(CO)C1 1347039077 ZUCXRFFEGNOEBL-CQSZACIVSA-N 300.330 -0.582 30 20 DBED C[C@H](O)[C@H]1CCCN(C(=O)CCn2cc(C#N)c(O)nc2=O)C1 1362510158 MNBCZNFUZTZOPL-QWRGUYRKSA-N 320.349 -0.170 30 20 DBED Cc1noc([C@H]2CCCN2c2[nH]c(=O)n(C)c(=O)c2C#N)n1 1364171299 LCPLLMXSAYOCNL-SECBINFHSA-N 302.294 -0.022 30 20 DBED CN(CCC#N)C(=O)CCN1CC[C@H](CS(N)(=O)=O)C1 1364814410 KBPWAAWLZSQUKO-NSHDSACASA-N 302.400 -0.641 30 20 DBED CN(CCC#N)S(=O)(=O)NCC1(CS(C)(=O)=O)CCC1 1364880470 FUXGXQNJSQPRHV-UHFFFAOYSA-N 323.440 -0.119 30 20 DBED CC(=O)NCC(=O)NC[C@H](C)CNC(=O)c1ccc(C#N)[nH]1 1388383298 DJBYTQJUSRNJFW-VIFPVBQESA-N 305.338 -0.495 30 20 DBED CCN(C(=O)CCNC(=O)NC)[C@H]1CCN(C(=O)[C@H](C)C#N)C1 1390110958 NYLFFNKWYMSYAT-NEPJUHHUSA-N 323.397 -0.085 30 20 DBED C[C@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)CS(C)(=O)=O 1392246117 QTZQRYUOVMPCFT-MRVPVSSYSA-N 312.351 -0.835 30 20 DBED C[C@@H](CNC(=O)c1nc2ncccn2n1)NC(=O)[C@H](C)C#N 1393047124 PMCATLNVJAVSBA-BDAKNGLRSA-N 301.310 -0.482 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CCN(C(=O)c2nc3ncccn3n2)C1 1396943443 MWDFDGDWYKMUSH-UWVGGRQHSA-N 313.321 -0.385 30 20 DBED CN(CCNC(=O)[C@@H]1CCC(=O)NC1)C(=O)c1c[nH]c(C#N)c1 1408619956 ZUBKSUJVCLJJOA-SNVBAGLBSA-N 317.349 -0.399 30 20 DBED CCc1noc(COCC(=O)NC[C@H](C)NC(=O)[C@H](C)C#N)n1 1410456024 YSDYMRUUZRHEEJ-ZJUUUORDSA-N 323.353 -0.071 30 20 DBED C[C@@H]1OCC[C@@]1(C)NC(=O)CCn1cc(C#N)c(O)nc1=O 1447594832 RMBJGWGAQXBQIC-LKFCYVNXSA-N 306.322 -0.106 30 20 DBED C[C@H]1CO[C@H](C)CN1C(=O)CCn1cc(C#N)c(O)nc1=O 1464073088 KYIVZEHPJLBIQD-VHSXEESVSA-N 306.322 -0.154 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 1480111198 HXJOOOUXKVBQPQ-KBPBESRZSA-N 320.437 -0.201 30 20 DBED CCN(CCC#N)C(=O)CN[C@@H](C)[C@@H]1CN(C(C)=O)CCO1 1485630565 IWSDHRWTSMUOLG-JSGCOSHPSA-N 310.398 -0.026 30 20 DBED COC(=O)NCC(=O)NC[C@@H](C)N(C)C(=O)c1c[nH]c(C#N)c1 1486812806 TUHVKDRJFNTTHU-SECBINFHSA-N 321.337 -0.181 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)[C@H]2CCCCN2C(N)=O)CC1 1506212877 KZFQDTQFNVWQQB-WDEREUQCSA-N 321.381 -0.156 30 20 DBED CNS(=O)(=O)CCn1c(C)nnc1N(C)C[C@@H](C)C#N 1517621372 WJIPRSAWVUBKBX-VIFPVBQESA-N 300.388 -0.268 30 20 DBED CN(CCNC(=O)c1c[nH]c(=O)cn1)C(=O)c1ccc(C#N)[nH]1 1528575042 ODKYVONUFPZUCJ-UHFFFAOYSA-N 314.305 -0.528 30 20 DBED N#CCC(=O)N1CCN(C(=O)N[C@H](CCN)C(F)F)CC1 1580044824 KGVJUCHGSWNAOW-SECBINFHSA-N 303.313 -0.264 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)NCC2(C(=O)O)CCOCC2)C1 1594605800 IYRODAZXYFEERL-CQSZACIVSA-N 311.338 -0.072 30 20 DBED Cn1cc(C=NN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C=C[C@H]3O2)cc1C(=O)O 1600945954 OEVKQLSDNDGOPM-DDHJBXDOSA-N 315.285 -0.004 30 20 DBED C#C[C@H](NS(=O)(=O)N(C)CCC(=O)O)C1CCOCC1 1602679169 VFCWZJWSCXFGSB-NSHDSACASA-N 304.368 -0.344 30 20 DBED C#CC1(O)CN(c2ccc([N+](=O)[O-])c(N)c2-c2nn[nH]n2)C1 1602690281 AMFBQUPACOAHHG-UHFFFAOYSA-N 301.266 -0.459 30 20 DBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)NCC[S@@](C)=O 1645665336 JIWYBZKHSVRMGP-OAQYLSRUSA-N 312.399 -0.184 30 20 DBED CNC(=O)CN1CCC(NS(=O)(=O)CC2(C#N)CC2)CC1 1647132520 IFEORJPHEXIPCJ-UHFFFAOYSA-N 314.411 -0.580 30 20 DBED CC[C@](C)(C#N)C(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 1649801368 FTBUVCSSPOKCMC-ZWNOBZJWSA-N 315.395 -0.264 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@H]1CCCN(CC(=O)NC(N)=O)C1 1665050169 ORPTVWNGPGAPNO-IINYFYTJSA-N 312.370 -0.911 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@H](NC(=O)C2(N(C)C)CCC2)C1 1665465589 LHTZPEQNBPDZRG-KBPBESRZSA-N 320.437 -0.201 30 20 DBED N#CCNC(=O)CN[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 1752665582 RYDFUZBNNVNDKQ-VEGXAWMVSA-N 306.366 -0.570 30 20 DBED C[C@H](C(=O)NC(N)=O)N1[C@H]2CC[C@H]1CN(C(=O)C#CC1CC1)C2 1753305912 VTCXLYZJBHFWKH-WXHSDQCUSA-N 318.377 -0.342 30 20 DBED C=CCNC(=O)NC(=O)CN1CC(NC(=O)C2CC(OC)C2)C1 1753379658 FXQQVTCJFDUNJM-UHFFFAOYSA-N 324.381 -0.776 30 20 DBED C#CCNC(=O)CN[C@@H](CC)CNC(=O)c1cn(CC)cn1 1753495255 FWZNCRAEBUKFMR-LBPRGKRZSA-N 305.382 -0.250 30 20 DBED CC#CCN1CCO[C@H](CNC(=O)[C@@]2(C)CCC(=O)NC2)C1 1753652221 CPFJFETXCOEQEP-CJNGLKHVSA-N 307.394 -0.257 30 20 DBED C[C@H](CNCC(=O)NC(=O)NC1CC1)N(C)C(=O)C#CC1CC1 1753689960 QXNSVLGNCMZCGO-LLVKDONJSA-N 320.393 -0.176 30 20 DBED C#CCNC(=O)CN1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1snnc1C 1754419164 NPIFGFJADMAJDW-JFGNBEQYSA-N 319.390 -0.602 30 20 DBED N#CCNC(=O)CNC1(CNC(=O)c2cc(C3CC3)[nH]n2)CC1 1754526199 JRTDBJKHRXQHIJ-UHFFFAOYSA-N 316.365 -0.221 30 20 DBED C=CCNC(=O)[C@H](C)NC[C@@]1(C)CCN(C(=O)CC(N)=O)C1 1754690714 RCUOMSBZWNEWHS-XHDPSFHLSA-N 310.398 -0.619 30 20 DBED Cc1cc(C(=O)NC[C@@H]2COCCN2CC(=O)NCC#N)no1 1754963845 PBGXLYPKEHYUCY-LLVKDONJSA-N 321.337 -0.947 30 20 DBED C#CCNC(=O)CN(C)CCCN(C)C(=O)c1ccn(C)n1 1755045186 LNVOWWYWWQAQSV-UHFFFAOYSA-N 305.382 -0.437 30 20 DBED COCC#CCN1CC([C@H](C)NC(=O)C(=O)NCC2CC2)C1 1755389010 NLOMAMXDZOBVNV-LBPRGKRZSA-N 307.394 -0.401 30 20 DBED C#CCN1C[C@H]2CC[C@H]1CN2C(=O)CS(=O)(=O)CCOC 1755396170 KWAAOIXIJYMVGP-QWHCGFSZSA-N 314.407 -0.644 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)CCCCNC(N)=O)C2)C1 1755401570 IVCQNXPYVZAZAG-MRXNPFEDSA-N 322.409 -0.239 30 20 DBED C#CCCN(C)CCOCCNC(=O)[C@H]1CCNC(=O)CC1 1755542601 RCVXCAPOGYGLEQ-CQSZACIVSA-N 309.410 -0.009 30 20 DBED C=C(C)CCN[C@@H](CO)CNC(=O)[C@@H]1CCS(=O)(=O)C1 1755633148 OORHXOGASSMFIC-VXGBXAGGSA-N 304.412 -0.546 30 20 DBED C#CCOCCC(=O)N1C[C@@H](NCC(=O)NCC#N)C[C@@H]1C 1755678122 GPZSOJGTKNUZAS-STQMWFEESA-N 306.366 -0.755 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC([C@@H](C)NC(=O)Cn2cncn2)C1 1756161971 ZEWGZSRKQRJCNY-IAQYHMDHSA-N 321.381 -0.432 30 20 DBED C=CCCC(=O)N1C[C@@H](NC(=O)Cn2cnnn2)C(C)(C)C1 1756171526 BBJHLIHNAIQMMV-LLVKDONJSA-N 306.370 -0.008 30 20 DBED C#Cc1cncc(C(=O)N(C)C[C@@H](C)NC(=O)CNC(C)=O)c1 1756492072 PQHVAIYAXZGPPB-LLVKDONJSA-N 316.361 -0.224 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H](C)NC(=O)Cc1nc[nH]n1 1756499185 VZYHKYILOSPNFI-UTUOFQBUSA-N 321.381 -0.099 30 20 DBED C=CCOCC(=O)NC[C@@H](CO)NC(=O)[C@H](C)C(F)(F)F 1756519724 UEMWMDFTIQCJCL-IUCAKERBSA-N 312.288 -0.019 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](CO)CNC(=O)C1(CC)CCC1 1756543090 LQRYSXILLMSBOZ-GFCCVEGCSA-N 323.393 -0.701 30 20 DBED CCN(C(=O)C#CC1CC1)[C@H](C)CNC(=O)CNC(=O)NC 1756856713 QWPRBQWCUVIVGG-LLVKDONJSA-N 308.382 -0.318 30 20 DBED O=C(O)c1ccc(C=NN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C=C[C@H]3O2)[nH]1 1776101970 CYJQCWPATUJEMQ-GWOFURMSSA-N 301.258 -0.015 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N1CCO[C@@](C)(C(=O)O)C1 1776215354 LFHYXMKNWDTKHW-MWLCHTKSSA-N 305.356 -0.502 30 20 DBED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(O)nc3)C2)C1 1780258942 SNMWWEBTOOTJQP-INIZCTEOSA-N 315.329 -0.136 30 20 DBED C=CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)NC(C)=O)CCO2 1783922673 XCFUHCOJEDLUMD-MLGOLLRUSA-N 323.393 -0.083 30 20 DBED CCOCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC#N)C[C@@H]21 1786501663 COQYPBFNSJJDJT-AVGNSLFASA-N 309.366 -0.084 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN(C)C(C)=O 1793750650 IKYFWMKZXMATFO-YWVIFJGQSA-N 321.377 -0.922 30 20 DBED C=CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CC[C@@H](N)C(N)=O 1796086187 KYWWRXNPDMZDHV-YVECIDJPSA-N 322.409 -0.207 30 20 DBED CN1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CC#N)C3)C1 1801555843 BETBVFFJXOUWLM-DABQJJPHSA-N 306.366 -0.949 30 20 DBED C/C=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)CC#N)CCO2 1834767632 VRRBKGBYDIPERM-XYBNCVKDSA-N 307.350 -0.067 30 20 DBED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C#C)C2)C1 1840169727 QNWKRFRGMVQKHL-QGZVFWFLSA-N 318.373 -0.121 30 20 DBED Cc1cc(C(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)on1 1846195241 SJXJZZSVVZOEQX-UHFFFAOYSA-N 317.301 -0.112 30 20 DBED N#CCC(=O)N1CC2(CCCN2C(=O)[C@@H]2CCNC(=O)C2)C1 1846421391 JJMLHMDKSFIUHJ-LLVKDONJSA-N 304.350 -0.370 30 20 DBED NC(=O)NCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C#CC1CC1 1847749745 VQFYYJDWPJRMDA-RYUDHWBXSA-N 304.350 -0.730 30 20 DBED C=CCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C[C@@H]1NC(=O)NC1=O 1848130895 OTJRIFCOQQJTEQ-DCAQKATOSA-N 320.349 -0.638 30 20 DBED C=CC[C@@H](C)NS(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C 116905058 GLFOHJXNRIVLCE-MRVPVSSYSA-N 324.362 -0.135 30 20 DBED C=C(C)C[C@H](C)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 186149440 CBICYHWCYZCWED-LBPRGKRZSA-N 306.370 -0.054 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)Nc1ccn(CCC(N)=O)n1 271043678 STDAKUZSEGGLAI-VIFPVBQESA-N 308.342 -0.429 30 20 DBED C=CCN(C)C(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 275064633 XHMUZQXHYFRGBI-JTQLQIEISA-N 313.379 -0.204 30 20 DBED CCOC(=O)CO/N=C(/C(=O)N1CCC[C@H](O)C1)c1cc[nH]n1 276637433 UJIJSSBAFYAJFJ-DLPJZNJTSA-N 324.337 -0.323 30 20 DBED CO[C@H]1COC[C@@H]1NC(=O)C(=O)N1CCc2ccc(C#N)cc21 290468151 YVBHLGYCHDRGOU-JSGCOSHPSA-N 315.329 -0.023 30 20 DBED C=C[C@@H](CO)NC(=O)C1=NN(c2ccccc2)C(=O)[C@@H](C)N1 292679211 MLBZHKPRGPQMAC-MNOVXSKESA-N 302.334 -0.012 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@H](C(=O)OC)C[C@H]1C(=O)OC 295805582 SWSVHLNCHIDVSK-WOPDTQHZSA-N 311.334 -0.022 30 20 DBED Cn1nncc1/C(O)=N/CCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 328677107 RZCYGJZQCNEJGC-GAIPPQHRSA-N 315.333 -0.073 30 20 DBED C[C@H](/N=C(/O)N1CCS(=O)(=O)CC1)[C@@H](C)N1CCOCC1 329370018 AQESLKCRYBNVTO-NWDGAFQWSA-N 319.427 -0.260 30 20 DBED CO[C@H]1CN(/C(O)=N/CCCN2CCOCC2)C[C@H]1OC 331123624 QMIPAGPNSGOJIA-BETUJISGSA-N 301.387 -0.032 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@H](COC)C(=O)OC 336893694 LKFDYRPTVQEGPI-VHSXEESVSA-N 307.372 -0.510 30 20 DBED CC(C)[C@@H]1CN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CCO1 336901703 BZIKONLKEDYMNA-RYUDHWBXSA-N 303.384 -0.188 30 20 DBED CCCN(CC(=O)N(C)C)S(=O)(=O)N1CCO[C@H](C#N)C1 336911558 JHJWCLABYHWLAE-LLVKDONJSA-N 318.399 -0.744 30 20 DBED CCN(CCC#N)S(=O)(=O)N(CCOC)[C@@H](C)C(N)=O 337094978 PMRVRHNGMYZTMK-JTQLQIEISA-N 306.388 -0.711 30 20 DBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC(C)(O)C1 338608363 UHKWYYBCMSXTFC-SNVBAGLBSA-N 323.374 -0.182 30 20 DBED C=CC[C@@H](CO)CNC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 342164030 PBJCJOIHFXMMPR-XMKDAVRRSA-N 322.361 -0.550 30 20 DBED COC(=O)c1csc(S(=O)(=O)NCC(=O)NCC#N)c1 352538565 LXVLQAXMHRLFGK-UHFFFAOYSA-N 317.348 -0.547 30 20 DBED CN(CC(=O)N1CC(O)(CC#N)C1)c1ncnc2[nH]cnc12 356559210 WQLLKGUEKIURBA-UHFFFAOYSA-N 301.310 -0.724 30 20 DBED C=C[C@@H](CO)NC(=O)N[C@@H]1CCCN(Cc2nccn2C)C1=O 359199503 QGTIJNLSOIVQJW-NWDGAFQWSA-N 321.381 -0.243 30 20 DBED C=CCOC[C@@H](NS(=O)(=O)c1cn(C)c(C)n1)C(=O)OC 360615586 YWHOXJQGJNGGDZ-SNVBAGLBSA-N 317.367 -0.249 30 20 DBED N#Cc1ncccc1S(=O)(=O)N1CCN2C(=O)OC[C@H]2C1 364374097 LKALNXFJVLPPKF-SECBINFHSA-N 308.319 -0.222 30 20 DBED C[C@@H](C(=O)N1CC(O)(CC#N)C1)N1C(=O)NC2(CCCC2)C1=O 370553586 HQZYFOGAWLUBEN-JTQLQIEISA-N 320.349 -0.274 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@](O)(C3CC3)C2)C1=O 373262516 XRGYFYBHEVCYLN-HNNXBMFYSA-N 321.333 -0.663 30 20 DBED C#Cc1cc(F)c(NC(=O)C(=O)N2C[C@H](O)C[C@H]2CO)c(F)c1 374896734 NVRUMCKYMQWHRI-VHSXEESVSA-N 324.283 -0.161 30 20 DBED CN1CCNC[C@H]1CNS(=O)(=O)Cc1ccc(C#N)cc1 394438253 WBSBEXIQYUXHHS-AWEZNQCLSA-N 308.407 -0.119 30 20 DBED CC[C@H]1C(=O)N(CC)CCN1c1c(C#N)c(=O)n(C)c(=O)n1C 408363908 CFEUADHHWUGYBM-NSHDSACASA-N 319.365 -0.597 30 20 DBED CN1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)CCC#N)CC1 408462405 YUUSQGDFCUSQKD-LBPRGKRZSA-N 314.411 -0.532 30 20 DBED N#C[C@@H]1CN(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)CCO1 436133121 VGMOKAPLZARHFP-LLVKDONJSA-N 324.362 -0.503 30 20 DBED Cc1cc(NC(=O)C(=O)N2CC[C@H](C)[C@@H]2CO)nn1CCC#N 443812853 GEJXSISGQMLMCC-JQWIXIFHSA-N 319.365 0.273 30 20 DBED C#CCN1CCC(C(=O)NCC(=O)N2CCN(CC)CC2)CC1 491405553 JMIOVFPJDZKLFQ-UHFFFAOYSA-N 320.437 -0.388 30 20 DBED C[C@H](C#N)CNC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C 518422263 QYLUCWJRRNHGGH-MRVPVSSYSA-N 303.322 -0.535 30 20 DBED N#CC1CN(C(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)C1 590486265 CSVPKQLVVVMION-GHMZBOCLSA-N 311.363 -0.996 30 20 DBED CCN(C(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)[C@@H](C)C#N 598360304 VAWRCHQXSIXBRC-YQPPGCHHSA-N 305.334 -0.091 30 20 DBED CC(C)(C#N)C[C@@H](O)CN1CCOC[C@@H]1CNS(C)(=O)=O 599667682 SXMNGQYAISLPEA-NWDGAFQWSA-N 319.427 -0.463 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)NCCOC[C@H]1CCOC1 619709645 WILIMJVOLVRPDS-RYUDHWBXSA-N 305.400 -0.035 30 20 DBED CCN1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)C[C@H]1C 619712648 STDHTZBAJQPNDF-NEPJUHHUSA-N 302.400 -0.518 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1COCCN1 627290669 XILPDXJSEIRLNN-UPJWGTAASA-N 311.382 -0.812 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)C[C@@H]2CCN(C)C2)CC1 635158293 XQYTWSVLVCQTEW-AWEZNQCLSA-N 308.426 -0.225 30 20 DBED C=CCOC[C@@H](NS(=O)(=O)C[C@@H](OC)C1CC1)C(=O)O 646046714 OSTSJBYYUWONCP-GHMZBOCLSA-N 307.368 -0.013 30 20 DBED CC#CC[C@H](CO)NC(=O)c1coc(S(=O)(=O)NC)c1 649184943 UJWCURXCJVRCHX-SNVBAGLBSA-N 300.336 -0.308 30 20 DBED CCN(CCC#N)C(=O)COC(=O)[C@@H](C)NS(C)(=O)=O 758491433 ZNKHZIVYVZFQHD-SECBINFHSA-N 305.356 -0.771 30 20 DBED C#C[C@H](NC(=O)CCC(=O)NCCNC(C)=O)[C@H]1CCCO1 772881575 SDRIQGOBDQXHQS-QWHCGFSZSA-N 309.366 -0.684 30 20 DBED N#Cc1ccc(C(=O)NS(=O)(=O)CC(N)=O)cc1Cl 778724111 JDBLEHPTDBNDFE-UHFFFAOYSA-N 301.711 -0.243 30 20 DBED N#CCC1(O)CN(C(=O)[C@H]2Nc3ccccc3S(=O)(=O)N2)C1 793870822 WXILBTCSBCGDFI-NSHDSACASA-N 322.346 -0.797 30 20 DBED C#CCCCNC(=O)C(=O)N1CC[C@H](S(=O)(=O)NCC)C1 806913288 WIQLHRFMSJQFKW-NSHDSACASA-N 315.395 -0.944 30 20 DBED CC(=O)C(=O)COC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 808485133 ODHUEJFRYHFBBS-UHFFFAOYSA-N 324.314 -0.462 30 20 DBED CC[C@@]1(C)NC(=O)N(NS(=O)(=O)c2cncc(C#N)c2)C1=O 810074946 AVNJNBAZPZTUCX-GFCCVEGCSA-N 323.334 -0.133 30 20 DBED CC#CCS(=O)(=O)NC(=O)c1ccc(-n2cnnn2)cc1 810774962 UWMPOZYWAZTSBH-UHFFFAOYSA-N 305.319 -0.255 30 20 DBED C#CCNC(=O)COC(=O)[C@]1(c2ccccc2)CNC(=O)C1 811235161 GEPGJEKEEVAKON-INIZCTEOSA-N 300.314 -0.263 30 20 DBED CCS(=O)(=O)N(C)CCCNC(=O)[C@@](C)(C#N)CC(=O)O 820391984 RVWUZDMJUKXPPG-GFCCVEGCSA-N 319.383 -0.221 30 20 DBED C#CCO[C@H](C)C(=O)NC1CCN([C@@H]2CCN(C)C2=O)CC1 820632335 JNUOXAYXFJPUPS-TZMCWYRMSA-N 307.394 -0.164 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N(C[C@@H](C)O)[C@H](C)CO 875595871 FWPGXAZNXFFHDC-JHJVBQTASA-N 314.382 -0.879 30 20 DBED C#CCNS(=O)(=O)N1CCN(Cc2ccc(C)nn2)CC1 895919581 WDXHYOWLGCYKAQ-UHFFFAOYSA-N 309.395 -0.630 30 20 DBED C=CCNC(=O)CNC(=O)c1cccn1CCN1CCOCC1 907234855 BUXJDJNOJDEAQV-UHFFFAOYSA-N 320.393 -0.148 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1cnnc(O)c1 937489284 FRJBFPXPGIOUJH-LSJOCFKGSA-N 301.306 -0.233 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]c(=O)cn1 937564914 AEPZIICCVDHASZ-GUBZILKMSA-N 301.306 -0.645 30 20 DBED Cc1cnc(C(=O)NC[C@@H]2CN(C(=O)[C@@H](C)C#N)CCO2)cn1 944455267 CVAOTKNEIYTIEJ-CMPLNLGQSA-N 317.349 -0.098 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2cn(C)c(=O)nc2O)C[C@@H]1C 948027744 ZCDHPEWVTPNBRU-WDEREUQCSA-N 304.350 -0.298 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCN([C@@H](CC)C(N)=O)CC1 948825755 QAQMSHAQHNHCQM-KBPBESRZSA-N 306.410 -0.508 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2CCN2C(=O)Cn2nccn2)nc1 951378732 YCDKJWUEMAFPLE-CYBMUJFWSA-N 324.344 -0.315 30 20 DBED C=CCN1C[C@@H](O)[C@H](CNC(=O)c2cnn3ccncc23)C1 958145558 MYIIFEMNPQCAQT-BXUZGUMPSA-N 301.350 -0.062 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cc(CN(C)C)on2)C1 958199440 IQPTWZMVNXPIBM-SMDDNHRTSA-N 306.366 -0.608 30 20 DBED N#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cn3cccnc3n2)C1 958215222 URXHBZFMISSPFU-CMPLNLGQSA-N 300.322 -0.725 30 20 DBED C=CCN1C[C@@H](O)[C@H](CNC(=O)c2cccnc2C(N)=O)C1 958719048 ZDPAVNOGFLUCJP-ZYHUDNBSSA-N 304.350 -0.611 30 20 DBED C=CCn1cc(C(=O)N2CCO[C@@H]3CN(C(=O)CC)C[C@@H]32)nn1 960405025 PDAPWKBDTWKJMF-QWHCGFSZSA-N 319.365 -0.074 30 20 DBED C#CCCN1C[C@H]2[C@H](NC(=O)[C@H]3CCc4nnc(O)n4C3)[C@H]2C1 960655682 NZCWCOBDBMKTEH-CIQGVGRVSA-N 315.377 -0.384 30 20 DBED Cc1ncc(C(=O)N2CCOC3(C2)CN(C(=O)[C@H](C)C#N)C3)[nH]1 965329389 CKKMBLXJROIDTE-SNVBAGLBSA-N 317.349 -0.069 30 20 DBED C[C@H](C#N)C(=O)N1CC2(C[C@@H](NC(=O)c3cncn3C)CO2)C1 965732626 LJCPTJCBCOYKMG-GHMZBOCLSA-N 317.349 -0.321 30 20 DBED C=CCCN1CC[C@H](C)[C@H](NC(=O)CN2CC(=O)NC2=O)C1 968430525 DPXABTDYZYVIQA-NWDGAFQWSA-N 308.382 -0.059 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@H](NC(=O)Cc2ncc[nH]2)C1 970085768 JUAXSWVVXCMZMJ-MNOVXSKESA-N 306.366 -0.148 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cocn2)C[C@@H]1O 970701704 AGFVFEYTTPTYDF-AAXDQBDMSA-N 321.333 -0.433 30 20 DBED C=CCCN1CC([C@H](C)NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 970892797 SEKLMYAAUOVIQZ-JQWIXIFHSA-N 301.412 -0.309 30 20 DBED CC1(C)CN(CC#N)C[C@H]1NC(=O)[C@H]1CCc2nnc(O)n2C1 974744786 VUDJCBDWZAAPCR-WDEREUQCSA-N 318.381 -0.104 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2[C@@H]3CN(C(=O)c4cnon4)C[C@@H]32)nc1 976916443 NKCGVLONXJQKQB-YABSGUDNSA-N 323.312 -0.054 30 20 DBED CN(C(=O)[C@@H]1COC(=O)N1)[C@H]1CCCN(C(=O)C#CC2CC2)C1 984174190 HVSGWNAMGUCZJZ-STQMWFEESA-N 319.361 -0.042 30 20 DBED C[C@H](C#N)C(=O)N1CCC(N(C)Cc2nc(=O)n(C)[nH]2)CC1 985338433 ILJOJDHVWROKGP-SNVBAGLBSA-N 306.370 -0.309 30 20 DBED C[C@@H]1[C@H](NCC#N)CCN1C(=O)CN1C(=O)CC(C)(C)C1=O 986279355 KLCRWXAKALTFMY-GHMZBOCLSA-N 306.366 -0.126 30 20 DBED C[C@@H]1CN(C(=O)CNC2CCN(C(=O)[C@H](C)C#N)CC2)CCO1 990315873 VXIHTHRDJOVLCZ-CHWSQXEVSA-N 322.409 -0.026 30 20 DBED CC(=O)N[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1n1ccnn1 990765192 LWIKGVQGYZJIHL-OLZOCXBDSA-N 313.321 -0.320 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)[C@H](C)n2cncn2)C1 990924216 ZZHVLYAGMYADRZ-UHTWSYAYSA-N 319.365 -0.243 30 20 DBED O=C(N[C@@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1O)c1ncc[nH]1 991458369 QINQKVWOTIFJLE-NEPJUHHUSA-N 302.334 -0.485 30 20 DBED C=CCN[C@@H]1CCC[C@@H]2CN(C(=O)CN3C(=O)CNC3=O)C[C@H]21 992903741 RSMPMRMNKWHUNV-JHJVBQTASA-N 320.393 -0.059 30 20 DBED C#CCN1CC[C@H](n2cc(CNC(=O)[C@H]3CCN(C)C3)nn2)C1 1000043363 KEPKOCAILVZARE-ZFWWWQNUSA-N 316.409 -0.274 30 20 DBED C[C@@H](C#N)C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1CCOCC1 1002106097 PQPUHRFBPAADBV-DGAVXFQQSA-N 320.393 -0.274 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C(N)=O)CC1(C)C 1008612885 MQMLRWUORRVASI-OUAUKWLOSA-N 309.366 -0.584 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2C[C@H](C)N(C(=O)C(N)=O)C2)c1 1013977833 WYOPDSSBBSEEGL-JOYOIKCWSA-N 300.318 -0.733 30 20 DBED C=CCCn1cc(C(=O)N[C@H]2C[C@H](C)N(C(=O)C(N)=O)C2)nn1 1013983163 MNQZJRVXPTUJHV-UWVGGRQHSA-N 320.353 -0.941 30 20 DBED C#CCN1CC[C@@H](NC(=O)Cn2nc3n(c2=O)CCCC3)C1 1015953799 IUQPMOVRPFUICI-GFCCVEGCSA-N 303.366 -0.795 30 20 DBED C#CCN1CCC2(CC1)C[C@@H]2NC(=O)Cn1nc(C)n(C)c1=O 1016957178 ZYMAZFXCSBQOPN-ZDUSSCGKSA-N 317.393 -0.506 30 20 DBED N#Cc1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC3(F)F)C2)[nH]1 1023612818 MZQWDXBJDBCMCE-JMJZKYOTSA-N 324.287 -0.157 30 20 DBED C#CCN1CC[C@@H](CNC(=O)[C@H]2C[C@H](OC)CN2C(C)=O)C1 1028715527 FXIBMDBJNRSSFN-SOUVJXGZSA-N 307.394 -0.307 30 20 DBED CC#CCN1[C@H]2CC[C@H]1CN(C(=O)c1nccnc1C(N)=O)C2 1029577807 GALXKRRHNFSMJV-RYUDHWBXSA-N 313.361 -0.112 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)Cc3ccnn3C)C2)C1=O 1030259185 BFWCUBHYIXBGFC-AWEZNQCLSA-N 317.393 -0.450 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN([C@H]2CCN(CC)C2=O)C1 1030978820 WAVCCXCOAUIPHJ-RDBSUJKOSA-N 307.394 -0.001 30 20 DBED C=C(C)CCN1CC(NC(=O)CN2C(=O)C(=O)N(C)C2=O)C1 1031041824 AOQJMRJJGUWJQX-UHFFFAOYSA-N 308.338 -0.826 30 20 DBED N#CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cn([C@@H]2CCOC2)nn1 1032722209 SDKBDTSPANUAFM-WOPDTQHZSA-N 302.338 -0.338 30 20 DBED CC#CCN1CCO[C@@H](CNC(=O)c2ccn3nnnc3c2)C1 1035473016 LCZVYJOVBMPAJY-ZDUSSCGKSA-N 314.349 -0.422 30 20 DBED N#CCN1CCO[C@H](CNC(=O)c2ccc(C(N)=O)s2)C1 1035540671 BRTAUPWJQQYIPG-SECBINFHSA-N 308.363 -0.199 30 20 DBED C#CCN1CCO[C@H](CNC(=O)c2cccn3c(O)nnc23)C1 1035571957 NCENRBGRFZXWOY-LLVKDONJSA-N 315.333 -0.501 30 20 DBED C#CCCN1CCO[C@H](CNC(=O)[C@H]2COCCN2C(C)=O)C1 1035607701 VNCQKVZRNRUZTR-HUUCEWRRSA-N 323.393 -0.926 30 20 DBED N#CCN1CCO[C@H](CNC(=O)[C@H]2CCc3nncn3C2)C1 1035610492 XJOZIOOUCYLZPT-NWDGAFQWSA-N 304.354 -0.819 30 20 DBED C=CCCN1CCO[C@H](CNC(=O)c2cn(C)c(=O)n2C)C1 1035616003 CZYFCVXURDCFEH-GFCCVEGCSA-N 308.382 -0.270 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2CCN2Cc2nc(O)n[nH]2)nn1 1038792617 XSMJVIFYHIRQKC-VIFPVBQESA-N 318.341 -0.708 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2CCN2Cc2nnn(C)n2)cn1 1038934140 BDTMSWFFDIYODR-CYBMUJFWSA-N 311.349 -0.409 30 20 DBED C#CCN1[C@H]2CCC[C@H]1CN(C(=O)c1nnc(O)nc1O)C2 1039731444 QCGHWLRTZKJJFE-UWVGGRQHSA-N 303.322 -0.405 30 20 DBED N#Cc1ccc(N2C[C@@H]3CCN(C(=O)Cc4nc[nH]n4)[C@@H]3C2)nn1 1040710656 BYESDDXVOPURLR-CMPLNLGQSA-N 324.348 -0.254 30 20 DBED Cc1cc(C(=O)N2CC[C@](O)(CNC(=O)[C@H](C)C#N)C2)cnn1 1040762842 MDZPYLWZSRRPBL-BMIGLBTASA-N 317.349 -0.362 30 20 DBED N#Cc1nc(=N[C@@H]2C[C@H](NC(=O)C(N)=O)C23CCC3)cc[nH]1 1041610530 ITRBCMDCEKFHQR-BDAKNGLRSA-N 300.322 -0.905 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)c2cn(C)nc2OC)C1 1041973026 OUCVWSPURGGNQR-UHFFFAOYSA-N 322.365 -0.302 30 20 DBED CO[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1NC(=O)c1cnco1 1042938954 ZPCQIVXMARTWPE-ZYHUDNBSSA-N 314.305 -0.030 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)CS(=O)(=O)CC)C1 1043424476 SXUNNMFJPVPXNK-UHFFFAOYSA-N 318.395 -0.923 30 20 DBED CC#CCN1CC(N(C)C(=O)c2ccc(-n3cnnn3)cn2)C1 1043460577 GSQIRZCTFNWRJG-UHFFFAOYSA-N 311.349 -0.163 30 20 DBED C=CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)Cc2cnoc2)C1 1043575982 MLCJHSCJCOGRQH-NSHDSACASA-N 323.349 -0.502 30 20 DBED CCn1nc(C)c(C(=O)NCC2(O)CN(C(=O)[C@H](C)C#N)C2)n1 1043723902 OYRYMSNZZGUFOZ-SECBINFHSA-N 320.353 -0.931 30 20 DBED C=CCN1CC[C@H](N2CCN(C(=O)C[C@H]3CCNC3=O)CC2)C1 1046035188 GNSAKEDWXGSTRU-CABCVRRESA-N 320.437 -0.083 30 20 DBED C=CCN1CC[C@@H](N2CCN(C(=O)[C@@]3(C)CNC(=O)C3)CC2)C1 1046046776 IRNBXJKOIXKNNS-RHSMWYFYSA-N 320.437 -0.083 30 20 DBED C#CCN1CC[C@@H](N2CCN(C(=O)c3ccn(C)n3)CC2)C1 1046084812 VGDQXSYGZMFBNB-CQSZACIVSA-N 301.394 -0.115 30 20 DBED CC#CCN1CC[C@](C)(NC(=O)c2cc(=O)n3[nH]cnc3n2)C1 1046769240 QEKMBVPBRAGPJW-HNNXBMFYSA-N 314.349 -0.365 30 20 DBED C=CCN1C[C@H]2C[C@H](NC(=O)Cn3ncn(C)c3=O)C[C@H]1C2 1047096594 BSSRECGWMCZEMF-RWMBFGLXSA-N 305.382 -0.263 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 1047529378 AHIDUTLJGTVNGM-RFGFWPKPSA-N 307.394 -0.763 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H](C)OC)C1 1048522841 DZLMAVHBILDUDO-AGIUHOORSA-N 314.382 -0.356 30 20 DBED C=CCO[C@@H](C)C(=O)N(C)[C@H]1CN(C(=O)C(F)F)C[C@@H]1O 1049010810 GPRWIJDPLUQJFI-GUBZILKMSA-N 306.309 -0.127 30 20 DBED C=C[C@@](C)(O)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[C@@H]2C)C1 1049216226 HSTLBKZMQOZGMO-AYZOYYRMSA-N 310.394 0.000 30 20 DBED C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)CN1CCN(C)C(=O)C1 1049561351 JTXSZWMFJLGRPI-GJZGRUSLSA-N 318.421 -0.541 30 20 DBED C=CCOCC(=O)N[C@@H](C)[C@@H]1CCN(C(=O)Cn2cnnn2)C1 1049968470 MKCGRPPNZNKMSV-NWDGAFQWSA-N 322.369 -0.771 30 20 DBED C[C@@H]1[C@@H](NC(=O)Cn2nccn2)CCN1c1nccnc1C#N 1050667607 KOAOSRBOENJLKA-MNOVXSKESA-N 312.337 -0.277 30 20 DBED C=CCCOCC(=O)N1C[C@@H](C)[C@H](CNC(=O)CC(N)=O)C1 1052833833 LVGIGXSRKOJREZ-VXGBXAGGSA-N 311.382 -0.335 30 20 DBED N#CCN1CC2(C1)CN(C(=O)c1nccn3ccnc13)CCO2 1053434532 PBGVRTPFVVIVDL-UHFFFAOYSA-N 312.333 -0.220 30 20 DBED C#CCN1CC2(C1)CN(C(=O)C(=O)N1CCC[C@H]1CC)CCO2 1053500362 QFYIUEZHWQCSSC-CQSZACIVSA-N 319.405 -0.066 30 20 DBED C#CCCN1CC2(CC[C@H](CNC(=O)c3cc(=O)n(C)o3)O2)C1 1053594682 QFCOZUUKDVFKCZ-GFCCVEGCSA-N 319.361 -0.035 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)c3nnn(C(C)(C)C)n3)CO2)C1 1053807696 OYOOOPLVXPHMQN-NSHDSACASA-N 318.381 -0.366 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)[C@@H]3CC(=O)N(CC)C3)CO2)C1 1053822236 JMRHMZGTMPHIAC-CHWSQXEVSA-N 305.378 -0.553 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)c3ccnc4ccnn34)CO2)C1 1053827964 LMKGVUFVEMELEK-NSHDSACASA-N 312.333 -0.174 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)c3cccn(C)c3=O)CO2)C1 1053984641 BXOWOUKVZOOGSB-ZDUSSCGKSA-N 315.373 -0.018 30 20 DBED C#CCCCC(=O)N1C[C@H]2CN(C(=O)c3nnn(C)n3)C[C@H]2C1 1055310433 IXYYJYRRWVEECA-TXEJJXNPSA-N 316.365 -0.456 30 20 DBED C=CCn1cc(C(=O)N2CCC[C@@](CO)(NC(=O)CC)C2)nn1 1055659850 LEDNWYWFANSHEQ-OAHLLOKOSA-N 321.381 -0.043 30 20 DBED CN(c1ccnc(C#N)n1)[C@@H]1CCN(C(=O)C(C)(C)C(N)=O)C1 1056977976 SUEJSQISFMGESF-SNVBAGLBSA-N 316.365 -0.103 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)CNC(=O)OC 1057091539 SWFJTFXOJJOYNV-UHFFFAOYSA-N 301.343 -0.754 30 20 DBED C#CCO[C@H](C)C(=O)N(CCO)CCNC(=O)[C@@H](C)OCC 1057582820 AAYKTRBYXGIOMM-CHWSQXEVSA-N 314.382 -0.613 30 20 DBED Cn1nnc(C(=O)N2CCC[C@H](Nc3nccnc3C#N)C2)n1 1057738982 YZTHBEVTVLMCPQ-VIFPVBQESA-N 313.325 -0.412 30 20 DBED C#CCNC(=O)CC(=O)NCCN(CCO)C(=O)CC1(C)CC1 1058126306 FHZZIRQFECBIMP-UHFFFAOYSA-N 323.393 -0.747 30 20 DBED N#Cc1ccc(N2CCC[C@H](NC(=O)[C@@H]3CCNC3=O)C2)nn1 1058220742 LLJPRXIRJXOEJT-NWDGAFQWSA-N 314.349 -0.431 30 20 DBED C=C(C)C(C)(C)C(=O)N(CCO)CCNC(=O)CC(=O)NC 1058286111 BFGDARIUPQJPPC-UHFFFAOYSA-N 313.398 -0.338 30 20 DBED CN1CC[C@H](C(=O)N[C@H]2CCN(c3cncc(C#N)n3)C2)C1 1058373932 SVVBSVCKIODFMG-RYUDHWBXSA-N 300.366 -0.005 30 20 DBED C[C@]1(C(=O)N[C@H]2C[C@H](Nc3cncc(C#N)n3)C2)CCNC1=O 1059410207 SXOPRHOKHFLVAZ-YHAQOWFVSA-N 314.349 -0.066 30 20 DBED CCc1nc(C#N)cc(NC[C@H]2CCN(C(=O)C(N)=O)C2)n1 1060967758 QXFMOJUISPDVED-SECBINFHSA-N 302.338 -0.344 30 20 DBED C[C@H](NC(N)=O)C(=O)N1CC2(CCN(C(=O)[C@H](C)C#N)CC2)C1 1060985094 XCXWLTFCFZZDAY-MNOVXSKESA-N 321.381 -0.346 30 20 DBED C#CCOCCC(=O)N1CCOC[C@@H]1CNC(=O)c1cn[nH]c1 1061332527 YXLJKVJMZKXDEL-ZDUSSCGKSA-N 320.349 -0.593 30 20 DBED C=CCCC(=O)NC[C@@H]1COCCN1C(=O)c1nccnc1N 1061406130 HDRRSPJPBUMLME-LLVKDONJSA-N 319.365 -0.018 30 20 DBED C=CCCC(=O)NC[C@@H]1COCCN1C(=O)C1CN(C(C)=O)C1 1061406447 JDVLRTKSAPELCH-CQSZACIVSA-N 323.393 -0.226 30 20 DBED C=C(C)C[C@@H](C)C(=O)N1CCOC[C@@H]1CNC(=O)CC(N)=O 1061443142 LKVJSKQNMNSNQT-NEPJUHHUSA-N 311.382 -0.192 30 20 DBED Cn1cc(C(=O)N2CCOC[C@@H]2CNC(=O)C#CC2CC2)cn1 1061569905 OHRNORRNCAXUQZ-AWEZNQCLSA-N 316.361 -0.209 30 20 DBED N#Cc1ccc(N2CC[C@@H](CNC(=O)[C@@H]3CNC(=O)N3)C2)cn1 1061717782 JNRYGIBGVOUTDU-GWCFXTLKSA-N 314.349 -0.423 30 20 DBED C[C@H](NC(N)=O)C(=O)NC1(CNC(=O)C#CC2CC2)CCC1 1062973882 DSGNKXQLYMGVPV-JTQLQIEISA-N 306.366 -0.388 30 20 DBED C=CCO[C@@H](C)C(=O)NC[C@@H]1CN(C(=O)CCOC)CCO1 1064736272 RUAPUSMWWDEWQL-QWHCGFSZSA-N 314.382 -0.042 30 20 DBED Cc1c(C(=O)N2CCO[C@@H](CNC(=O)[C@@H](C)C#N)C2)cnn1C 1064857570 NDBWDMLNSUTTFY-JQWIXIFHSA-N 319.365 -0.155 30 20 DBED N#Cc1cnccc1N1CCOC[C@@H]1CNC(=O)c1cnon1 1066497236 MRLXVKKJNPCWHR-NSHDSACASA-N 314.305 -0.029 30 20 DBED Cc1nsc(N[C@]2(CO)CCCN(C(=O)C(N)=O)C2)c1C#N 1066920477 RYKQEXZPPLBRKC-CYBMUJFWSA-N 323.378 -0.426 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](CNC(=O)c3cc[nH]n3)C2)nn1 1067652765 YRQZPQUWVJIAOC-BXKDBHETSA-N 313.321 -0.702 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](CNC(=O)c3cn[nH]c3)C2)cn1 1067652822 YZVMYXBARRMTLO-RISCZKNCSA-N 312.333 -0.097 30 20 DBED CC#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@]23COC[C@@H]2C3)C1 1069932956 DAUNDYSHHLIFNA-FQLMCAECSA-N 315.377 -0.321 30 20 DBED COC1CC(C(=O)N[C@@H]2CN(CC#N)C[C@@H]2n2ccnn2)C1 1069953778 YSTOCOGWGVVOHJ-TUUUFIMRSA-N 304.354 -0.432 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)Cc2ncc[nH]2)C1 1070060251 LZKHPYWLOPVJKX-NEPJUHHUSA-N 301.354 -0.229 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2[nH]c(O)nc2C)C[C@@H]1n1ccnn1 1070213749 WEJFYBJHPQAVQW-MNOVXSKESA-N 315.337 -0.696 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CCCN(C(=O)Cn2cnnn2)C1 1070411888 BTYVOUCIYFZQRJ-VXGBXAGGSA-N 322.369 -0.629 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CCCN(C(=O)CCNC(N)=O)C1 1070716557 PCTRCDXUDXQAFR-NWDGAFQWSA-N 324.381 -0.810 30 20 DBED N#CCN1C[C@H]2C[C@H]3CN(C(=O)Cn4cccn4)C[C@@]3(C1)O2 1070758629 HFKIYGNNZPMEEQ-GZBFAFLISA-N 301.350 -0.292 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)[C@H]2CCNC(=O)C2)CC1 1070954189 RBUVXVFQMZMWSG-ZDUSSCGKSA-N 322.409 -0.651 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)[C@@H]2C[C@]23CCOC3)CC1 1071014147 AYXJBFVNHHRTSL-YOEHRIQHSA-N 319.405 -0.303 30 20 DBED CC#CCN1CC[C@]2(C1)CN(C(=O)Cn1cnnn1)C[C@@H](C)O2 1071134472 SGSFPTHAGZIUJZ-HIFRSBDPSA-N 318.381 -0.612 30 20 DBED C#CCCCC(=O)N1CCC(C)(NC(=O)Cn2cnnn2)CC1 1072982553 RJLFGFRUSAPXCY-UHFFFAOYSA-N 318.381 -0.026 30 20 DBED CC(=O)NCC(=O)N1CC[C@@H](NC(=O)C#CC2CC2)[C@H](C)C1 1073946577 SRBMLQLYRDCRTQ-BXUZGUMPSA-N 305.378 -0.111 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)Cc3ccn(C)n3)C[C@@H]21 1074238668 RLHICIHYFXGOFI-GJZGRUSLSA-N 302.378 -0.103 30 20 DBED C#CCCN1CCO[C@H]2CCN(C(=O)C3(C(N)=O)CC3)C[C@@H]21 1074327151 PPTQQSIBQVCFKK-STQMWFEESA-N 305.378 -0.423 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)Cc3nonc3C)C[C@H]21 1074370511 BJQIATSWASOCPB-KGLIPLIRSA-N 304.350 -0.145 30 20 DBED C=CCCOCC(=O)N[C@@H]1CCN(C(=O)CC(N)=O)[C@@H](C)C1 1075041586 UVOIFMWECNPNRM-NWDGAFQWSA-N 311.382 -0.050 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)c2c(C)nn3cccnc23)C1 1078190134 NMGDOJBDAXOHAH-CHWSQXEVSA-N 313.361 -0.164 30 20 DBED CC(C)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CN(CC#N)C[C@H]1O 1078198463 PBGMSZOUTMDILZ-FRRDWIJNSA-N 308.382 -0.682 30 20 DBED C#CCN[C@H]1C[C@@H](NC(=O)CN2C(=O)CCC2=O)C12CCC2 1078804310 UFUSDZKFUFZZRV-NWDGAFQWSA-N 303.362 -0.214 30 20 DBED C=CCOCCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)COC)C1 1081177200 BFLNFSXAYUEICW-CHWSQXEVSA-N 314.382 -0.449 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](O)[C@H](CNC(=O)Cn2cccn2)C1 1081259639 NZAPPMFQASVHHX-ZIAGYGMSSA-N 318.377 -0.522 30 20 DBED C#CCOCCC(=O)N1C[C@H](CNC(=O)c2cocn2)[C@@H](O)C1 1081335987 ROIAARFHWJFUCV-AAEUAGOBSA-N 321.333 -0.736 30 20 DBED C=CCCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CC(=O)NC)C1 1081432947 FOAQNSQPDPPXAE-NWDGAFQWSA-N 311.382 -0.586 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)Cn1ccc(C)cc1=O 1082190666 BTHFNPACKROCPV-CHWSQXEVSA-N 304.350 -0.504 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cnnc(O)c1 1083113261 RLCRMABPYRGNKY-QWHCGFSZSA-N 302.334 -0.269 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](NC(=O)C[C@H]2CCN(C)C2=O)C1 1083552157 SYSVXGUMRXYVSM-MCIONIFRSA-N 309.410 -0.018 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCCc3nn(C)cc32)C1 1083730093 NRKKZRXNVJTDNS-DFBGVHRSSA-N 302.378 -0.366 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)CN2CCc3ccccc32)C1 1084069032 RYZCJQWWNORMMZ-HIFRSBDPSA-N 300.362 -0.266 30 20 DBED C#CCN[C@@H]1CCCC[C@H]1NC(=O)CN1CC(=O)N(C)C1=O 1085391939 BVCVQRJSJAICRH-VXGBXAGGSA-N 306.366 -0.469 30 20 DBED CCC(=O)NCC(=O)N[C@@H](C)C[C@@H](C)N=c1cc[nH]c(C#N)n1 1089259612 ONOFVLXYHKOOCP-MNOVXSKESA-N 318.381 -0.008 30 20 DBED C[C@@H](C[C@@H](C)N=c1cc[nH]c(C#N)n1)NC(=O)c1cnn(C)n1 1089348634 KXRDUHVHGDDHRS-ZJUUUORDSA-N 314.353 -0.092 30 20 DBED Cn1cnn(CC(=O)N[C@H]2CCN(CC#N)CC(C)(C)C2)c1=O 1089418892 BOFALJIXLVKQSC-LBPRGKRZSA-N 320.397 -0.288 30 20 DBED CCN(c1nc(C)cc(C#N)n1)[C@H](C)CNC(=O)CNC(N)=O 1089571861 QBRCODCGXYSMED-SNVBAGLBSA-N 319.369 -0.344 30 20 DBED N#CCN1C[C@H]2[C@@H]3CC[C@@H](CN3C(=O)Cn3cncn3)[C@H]2C1 1089903143 PYGTUYLTXGUNCM-DGAVXFQQSA-N 300.366 -0.030 30 20 DBED C=C(Cl)CN1CC[C@H](NC(=O)Cn2cnnc2O)[C@H](O)C1 1090196008 ABMUXNNUCKBDBS-VHSXEESVSA-N 315.761 -0.712 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cnc(N(C)C)cn2)[C@H](O)C1 1090265480 MSOLUOZOQDCSBE-WCQYABFASA-N 303.366 -0.659 30 20 DBED CNC(=O)NCCC(=O)N1CCN(c2cncc(C#N)n2)CC1 1093154358 YHONJCMPNXFMFO-UHFFFAOYSA-N 317.353 -0.684 30 20 DBED N#Cc1nccc(N2C[C@H]3[C@H](NC(=O)CCn4cncn4)[C@H]3C2)n1 1093213127 NJSPYSWYAXBRGW-HBYGRHMLSA-N 324.348 -0.419 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@H]2CN(c3ccc(C#N)nn3)C[C@H]12 1093265533 HKTCEQDKDMNOOU-RYUDHWBXSA-N 324.344 -0.961 30 20 DBED C#CCCN1CC(OC2CCN(C(=O)Cn3cncn3)CC2)C1 1093595420 CGXJMGYTUBCBDB-UHFFFAOYSA-N 317.393 -0.007 30 20 DBED N#Cc1nc(=NCCNC(=O)CNC(=O)c2ccco2)cc[nH]1 1093613460 IRFMSAGMMOJPLT-UHFFFAOYSA-N 314.305 -0.679 30 20 DBED N#Cc1c[nH]ccc1=NCCNC(=O)c1nc2ncccn2n1 1093814862 FYZBAEDHDNTLTI-UHFFFAOYSA-N 308.305 -0.345 30 20 DBED CC(C)C(=O)N(C)CC(=O)NCCN=c1cc[nH]c(C#N)n1 1094187664 GRUKFPGFOBNUMI-UHFFFAOYSA-N 304.354 -0.587 30 20 DBED N#Cc1nc(=NCCCNC(=O)c2cc(C(N)=O)c[nH]2)cc[nH]1 1094543488 AXAFDHOMKDNJOA-UHFFFAOYSA-N 313.321 -0.571 30 20 DBED N#CCN1CC(N2C[C@@H](NC(=O)c3ccc(F)nc3)CC2=O)C1 1094713916 LEHADSRHQCBWFI-NSHDSACASA-N 317.324 -0.241 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)c3cc(=O)n(C)o3)CC2=O)C1 1094730638 GNRMFSSFLUULPP-SNVBAGLBSA-N 320.349 -0.821 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)c3cnn(CC)n3)CC2=O)C1 1094734307 VNMDGLFSYOSCJT-NSHDSACASA-N 318.381 -0.501 30 20 DBED COC[C@H](OC)C(=O)N[C@H]1CCN(c2ccc(C#N)nn2)C1 1096482060 HHGYUMWVLJFBHR-RYUDHWBXSA-N 305.338 -0.295 30 20 DBED C[C@@H](NC(=O)C(N)=O)[C@@H]1CCCN(c2nccnc2C#N)C1 1097547395 HDVNXAHVQYIPJF-NXEZZACHSA-N 302.338 -0.445 30 20 DBED Cc1cc(=N[C@H](C)CNC(=O)[C@H]2COCCN2C)c(C#N)c[nH]1 1097765790 YEVYTBMAMXYKBZ-IUODEOHRSA-N 317.393 -0.069 30 20 DBED N#Cc1nc(=N[C@H]2CCC[C@@H](NC(=O)CC(N)=O)C2)cc[nH]1 1098612770 KXNAWIRMSNTMAL-VHSXEESVSA-N 302.338 -0.515 30 20 DBED C[C@@H](CCNC(=O)[C@@H]1CNC(=O)N1)Nc1cnc(C#N)cn1 1099682567 LLSAVGFCDGGHID-WPRPVWTQSA-N 303.326 -0.664 30 20 DBED O=C(C#CC1CC1)N[C@H]1CCN(CC(=O)NC2CC2)C[C@@H]1O 1099827268 UQHFEKROGTYJFX-KBPBESRZSA-N 305.378 -0.770 30 20 DBED C#CCN1CC[C@@H](NC(=O)CCc2cn(C)nc2C)[C@@H](O)C1 1100025322 VNJSBIJJJFTFBX-CABCVRRESA-N 304.394 -0.154 30 20 DBED CN1CCC(OCC(=O)N[C@@H]2CCN(CC#N)C[C@H]2O)CC1 1100056407 UORDIIQYJGGPEE-ZIAGYGMSSA-N 310.398 -0.828 30 20 DBED CN(CCNC(=O)c1cnc(O)n1C)c1cnc(C#N)cn1 1100270043 BJYOAUMPPZBYOZ-UHFFFAOYSA-N 301.310 -0.346 30 20 DBED CCN(CCNC(=O)[C@H]1CCC(=O)N1)c1cncc(C#N)n1 1100467287 QHRHSWQTFDEAEG-LLVKDONJSA-N 302.338 -0.431 30 20 DBED COCC#CCNC1CC(CNC(=O)Cn2ccccc2=O)C1 1100966342 YULKUXFLVUUNAF-UHFFFAOYSA-N 317.389 -0.018 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CCN(c2nccn3nnnc23)C1 1100971941 BSFOORLTHYJRBT-LBPRGKRZSA-N 311.349 -0.125 30 20 DBED N#Cc1cncc(N(CCNC(=O)[C@@H]2COC(=O)N2)C2CC2)n1 1101335824 BMEKJXHACZURQJ-NSHDSACASA-N 316.321 -0.458 30 20 DBED N#Cc1nccc(N(CCNC(=O)[C@@H]2COC(=O)N2)C2CC2)n1 1101335862 DBQPKFQBWPPQJS-JTQLQIEISA-N 316.321 -0.458 30 20 DBED CN(CCNc1ccc(C#N)nc1)C(=O)CN1CC(=O)NC1=O 1101720364 ZIIOJASVPHYXEJ-UHFFFAOYSA-N 316.321 -0.625 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN([C@@H](CC)C(N)=O)C[C@H]1C 1101960722 KJVWSPAWNNBNFX-MCIONIFRSA-N 309.410 -0.026 30 20 DBED C#CCCN1C[C@@H](C)[C@H](CNC(=O)CN(C)S(C)(=O)=O)C1 1102017835 VLKRUDGLRSVKES-CHWSQXEVSA-N 315.439 -0.415 30 20 DBED CC(C)C#CC(=O)N1C[C@@H]2C[C@H]1CN2c1nccn2nnnc12 1102548735 LSPVYZICPMBTFL-RYUDHWBXSA-N 311.349 -0.032 30 20 DBED C=CCN1C[C@@H](C)[C@H](CNC(=O)CN2C(=O)CN(C)C2=O)C1 1102560680 HKQZXRXHNPXNTP-VXGBXAGGSA-N 308.382 -0.250 30 20 DBED CC[C@H](CNC(=O)CCNC(=O)NC)N=c1cc[nH]c(C#N)n1 1103064110 GVODNYAYIOFAGU-SNVBAGLBSA-N 319.369 -0.604 30 20 DBED N#Cc1ccc(N2CCC[C@@H]2CCNC(=O)CNC(N)=O)nn1 1103725973 UXUNUOBGSMCBQA-LLVKDONJSA-N 317.353 -0.508 30 20 DBED C[C@H](CNC(=O)[C@@H]1COCCO1)CNc1cnc(C#N)cn1 1103877918 JAEKMXAXYVOQCM-JQWIXIFHSA-N 305.338 -0.072 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)[C@@H]1CCC(=O)N1 1104642429 CRQNDRZMJFFJFD-UWVGGRQHSA-N 302.338 -0.692 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(n2cc(CNCCF)nn2)C1 1105240442 NKOLPDVARCRSBW-LLVKDONJSA-N 309.345 -0.241 30 20 DBED CC(=O)N[C@@H](C)C(=O)NC[C@H](O)CNc1ccc(C#N)c(C)n1 1105734965 IBTRRVQOTJRBBN-GXFFZTMASA-N 319.365 -0.325 30 20 DBED Cc1nsc(NC[C@@H](O)CNC(=O)Cn2cncn2)c1C#N 1105838956 JHOULFZDASALPT-VIFPVBQESA-N 321.366 -0.496 30 20 DBED COC1CC(C(=O)NC[C@@H](O)CNc2nc(C)cc(C#N)n2)C1 1105997699 YQZZROLXNZJHDQ-YXMLORGKSA-N 319.365 -0.029 30 20 DBED C[C@@H]1CCO[C@@H]1C(=O)NC[C@H](O)CNc1ccc(C#N)nn1 1106122350 ZHVNZSQMNCUKKP-XWIASGKRSA-N 305.338 -0.338 30 20 DBED N#Cc1nccnc1NC[C@H](O)CNC(=O)CCc1cnc[nH]1 1106150058 JUKXHGQEQGXMCN-LLVKDONJSA-N 315.337 -0.407 30 20 DBED C[C@@H](CCNc1cnc(C#N)cn1)NC(=O)Cn1ncnn1 1106454525 MNQSUCNWNBFBKB-VIFPVBQESA-N 301.314 -0.658 30 20 DBED C#CCN1CC(n2cc(CNC(=O)COCC3CC3)nn2)C1 1107134866 HGQJWRTUBVBRLA-UHFFFAOYSA-N 303.366 -0.189 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)c2cccn3nnnc23)C1 1107968331 CQALEDWMFLVYAP-HNNXBMFYSA-N 314.349 -0.422 30 20 DBED C#CCCN1CCO[C@@](C)(CNC(=O)C[C@H]2CCNC2=O)C1 1107995327 YZKXPAFCOXTXGX-CJNGLKHVSA-N 307.394 -0.257 30 20 DBED C=CCN1CCO[C@@](C)(CNC(=O)c2nnc(O)nc2O)C1 1108051093 FBFLOSGZFBDFTI-ZDUSSCGKSA-N 309.326 -0.711 30 20 DBED C[C@@]1(CNC(=O)[C@H]2CCCCC(=O)N2)CN(CC#N)CCO1 1108207373 PGIMVOZYYJBPKH-IUODEOHRSA-N 308.382 -0.224 30 20 DBED C[C@]1(CNC(=O)c2c[nH]c(C(N)=O)c2)CN(CC#N)CCO1 1108401810 UPLNASNRYANYMY-AWEZNQCLSA-N 305.338 -0.542 30 20 DBED CC#CCN1CC(N2C[C@@H](NC(=O)CC(C)(C)O)CC2=O)C1 1108541617 XZGKSPSTJNPBSD-LBPRGKRZSA-N 307.394 -0.428 30 20 DBED CNC(=O)CC(=O)N[C@@H]1[C@H]2C[C@H]1N(c1cncc(C#N)n1)C2 1109699710 QLFYHFHJVBSXIL-LLHLLMPMSA-N 300.322 -0.822 30 20 DBED N#Cc1nc(=NC[C@H](NC(=O)Cn2cccn2)C2CC2)cc[nH]1 1109759914 NKWIQASAESFPHQ-LBPRGKRZSA-N 311.349 -0.026 30 20 DBED COC(=O)NCC(=O)N[C@@]1(C)CCN(c2cncc(C#N)n2)C1 1110711488 ZPLFUNSNJUQODF-AWEZNQCLSA-N 318.337 -0.211 30 20 DBED CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N)N(C)C 1111035504 DTRNWUXYQGZZHY-MQYQWHSLSA-N 321.425 -0.312 30 20 DBED N#Cc1cnc(N2C[C@H]3C[C@H](NC(=O)CC(N)=O)C[C@H]2C3)cn1 1111153929 QILDTXCWMZRNHP-JBLDHEPKSA-N 314.349 -0.303 30 20 DBED C#CCN1C[C@@H]2CCC[C@]2(NC(=O)COCc2nncn2C)C1 1111921495 OXJPBZZTBUHWQV-BBRMVZONSA-N 317.393 -0.064 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)[C@H]2CN3CCC2CC3)CC1 1112857441 KZWCVGDUAUMIHE-AWEZNQCLSA-N 319.409 -0.888 30 20 DBED C[C@@H](NC(=O)Cn1cnnn1)[C@@H](C)Nc1cncc(C#N)n1 1112904935 FTGQCKCVKKQEHJ-RKDXNWHRSA-N 301.314 -0.660 30 20 DBED C[C@H](CNC(=O)C[C@H]1CCNC1=O)N(C)c1cncc(C#N)n1 1113755369 BLOJBTIWDYSTDI-GHMZBOCLSA-N 316.365 -0.185 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)CN(C)C(C)=O)[C@H]2C1 1113901175 FIHBFQBUSCLGAV-DRZSPHRISA-N 322.409 -0.798 30 20 DBED C[C@@H]1CCN(c2nccnc2C#N)C[C@H]1NC(=O)CNC(N)=O 1113996853 BBAYMCROKZLMLJ-MWLCHTKSSA-N 317.353 -0.652 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)C[C@@](C)(O)C3CC3)[C@H]2C1 1114148124 ALISJNROLVKSOF-OSRSDYAFSA-N 321.421 -0.114 30 20 DBED CC[C@H](SC)C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1114151299 GOOAYXSHEYUIOK-SRRSOLGSSA-N 310.423 -0.186 30 20 DBED CO[C@@H](C)CCC(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1114168964 ZYXPTKZHRQFSLB-UUIJZJDISA-N 308.382 -0.512 30 20 DBED C=CCN1C[C@H]2C(NC(=O)CNS(=O)(=O)CCCC)[C@@H]2C1 1115179398 AUFWNCNZUMJEJI-VXGBXAGGSA-N 315.439 -0.062 30 20 DBED C[C@H](CN(C)C(=O)c1cc[n+]([O-])cc1)N=c1cc[nH]c(C#N)n1 1115635472 DTGLYLOWRAAJRH-LLVKDONJSA-N 312.333 -0.024 30 20 DBED N#CCC1CCN(C(=O)NCCOCCS(N)(=O)=O)CC1 1118605306 IRQRWKNPLJPULD-UHFFFAOYSA-N 318.399 -0.373 30 20 DBED Cc1[nH]nc(C(=O)NC[C@@H](CO)N=c2cc[nH]c(C#N)n2)c1C 1121251105 SBVCBKPNXIQYFT-JTQLQIEISA-N 315.337 -0.687 30 20 DBED N#Cc1nc(=N[C@@H](CO)CNC(=O)C[C@@H]2CCOC2)cc[nH]1 1121399588 PODPIXURCNSDEE-WDEREUQCSA-N 305.338 -0.914 30 20 DBED N#Cc1nccnc1N[C@@H](CO)CNC(=O)CCCCC(N)=O 1122044491 HTGDDJZYLXAPLZ-SNVBAGLBSA-N 320.353 -0.717 30 20 DBED COC[C@H](OC)C(=O)NC[C@@H](CO)N=c1cc(C)[nH]cc1C#N 1122467682 ZQYVYLPGLILFSH-JSGCOSHPSA-N 322.365 -0.766 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)CCc2cnn[nH]2)cn1 1122584662 JXXRHKMVDPFSGM-ZDUSSCGKSA-N 315.337 -0.407 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](CO)Nc1cnc(C#N)cn1 1122592365 AALDIQCNNMLTFA-UPJWGTAASA-N 317.349 -0.172 30 20 DBED Cc1ccn(CC(=O)NC[C@H](CO)Nc2nccnc2C#N)n1 1122594669 VSIWOTISEMMAOB-LLVKDONJSA-N 315.337 -0.558 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)c1ccnnc1 1124752621 HVXCXZKMKRYIQR-LLVKDONJSA-N 313.321 -0.895 30 20 DBED COCCN(CCNC(=O)C(N)=O)c1cc(C)ncc1C#N 1126507891 LRQYHWZBTIBSCZ-UHFFFAOYSA-N 305.338 -0.684 30 20 DBED C#CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)CCN(C)CC)C1 1129370721 ZDSRYAYQMGRYRX-CABCVRRESA-N 318.425 -0.015 30 20 DBED C#CCN1C[C@@H]2OC(=O)N([C@@H]3CCN(C(=O)CCOC)C3)[C@@H]2C1 1131294266 HQQZJFGEGHXJKR-MCIONIFRSA-N 321.377 -0.238 30 20 DBED C[C@@H]1CC[C@H](NC(=O)c2cnn(C)c2)CN1CC(=O)NCC#N 1131776909 YDCVDFWGIVFYFI-YPMHNXCESA-N 318.381 -0.357 30 20 DBED C#CCN1C[C@H](NC(=O)CCc2nnc(O)nc2O)CC[C@H]1C 1132149314 HYZVOLJQAKEXOY-GHMZBOCLSA-N 319.365 -0.182 30 20 DBED C#CCCN1C[C@H](NC(=O)CS(=O)(=O)NC)CC[C@@H]1C 1132494343 RKLWKAZWIARRBL-NWDGAFQWSA-N 301.412 -0.472 30 20 DBED C#CCNC(=O)CNCCNC(=O)Cc1c(C)cc(C)nc1O 1132767686 PAPPNVSEIZVUGP-UHFFFAOYSA-N 318.377 -0.598 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)Cc1cnc[nH]1 1134400997 SNSYQZGJZOZHNV-SNVBAGLBSA-N 322.369 -0.942 30 20 DBED C=CCn1cc(C(=O)NCCNCc2cnn(CC)n2)nn1 1134983622 VHPUWJZVEXWVAE-UHFFFAOYSA-N 304.358 -0.405 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)C1CCN(C)CC1 1135377573 ATNICQYFTQVFLT-UONOGXRCSA-N 322.453 -0.050 30 20 DBED C[C@@H](C[C@@H](C)NCC(=O)NCC#N)NC(=O)C12CCN(CC1)C2 1135939207 WFTBWVMDPXNVBY-OLZOCXBDSA-N 321.425 -0.405 30 20 DBED C=CCCN[C@H](C)C[C@H](C)NC(=O)c1cn(CC(N)=O)nn1 1146584173 QYFDEZJPDPVNJA-MNOVXSKESA-N 308.386 -0.174 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)CCCn1cncn1 1146802345 XUZXQIYVULWLRR-GFCCVEGCSA-N 308.386 -0.545 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)c1c(C)nn(C)c1F 1149364590 KPZFTVVHBSDCKU-SNVBAGLBSA-N 311.361 -0.122 30 20 DBED C=CCCC(=O)NCCCNCC(=O)N1CCC[C@H](C(N)=O)C1 1155593551 LDMAQUYTUVTLCH-ZDUSSCGKSA-N 324.425 -0.228 30 20 DBED CCCCNC(=O)NC(=O)CNCCCNC(=O)[C@H](C)C#N 1155860206 BSCZKURKWJBDTQ-LLVKDONJSA-N 311.386 -0.132 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)CN2CCOCC2)C1=O 1156759425 FZSHZZKNKSFEOD-CQSZACIVSA-N 324.425 -0.799 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)Cc2ccnn2C)C1=O 1157214275 NHWBUKMCHZKDSU-CQSZACIVSA-N 319.409 -0.155 30 20 DBED C=CC(C)(C)CC(=O)NCCCNCC(=O)N1CCNC(=O)C1 1158887338 XQPPNBCOTZHLJQ-UHFFFAOYSA-N 324.425 -0.357 30 20 DBED N#CCNC(=O)CNCC1(CCNC(=O)Cn2ccnc2)CC1 1168499690 KIHXNAKPTKLKNW-UHFFFAOYSA-N 318.381 -0.601 30 20 DBED C#Cc1ccc(C(=O)NCCCNCC(=O)NC(=O)NC)cn1 1171595050 SDTRCUYOWLQSAT-UHFFFAOYSA-N 317.349 -0.772 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H]2OCCN(CC#CC)[C@H]2C1 1176983490 UOCOGHVEJGJELF-GJZGRUSLSA-N 317.389 -0.549 30 20 DBED C=C(C)CN1CCO[C@@H]2CCN(C(=O)CCNC(N)=O)C[C@H]21 1177144213 LRFQUAOBXGYOLK-CHWSQXEVSA-N 310.398 -0.077 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](NCc2ccnn2C)[C@@H]1C 1178508711 PZXDETCDWSYNMB-JSGCOSHPSA-N 317.393 -0.361 30 20 DBED CC#CCN[C@H]1CCN(C(=O)CN2C(=O)NC(C)(C)C2=O)[C@H]1C 1180059729 XGZOKPGDBCTZEH-RYUDHWBXSA-N 320.393 -0.081 30 20 DBED CCOC1CC(C(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)C1 1182302852 LRJRDBDXHFBEGN-OTTFEQOBSA-N 308.382 -0.368 30 20 DBED C#CCCN[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 1182561494 LCFMGSRGXFIFQN-CHWSQXEVSA-N 315.377 -0.024 30 20 DBED CNC(=O)NCC(=O)N1CC[C@H](CNCC#CCOC)[C@H](C)C1 1184510558 FGAMAONDWIKHPC-ZIAGYGMSSA-N 324.425 -0.361 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H](n2cc(CNCCO)nn2)C1 1185898120 AJYRXNNXLBCLEH-YPMHNXCESA-N 306.370 -0.317 30 20 DBED Cn1ncc(C(=O)N2C[C@@H](CNCC#N)C3(CCOCC3)C2)n1 1186522611 VBQBBSLLXKUXQO-GFCCVEGCSA-N 318.381 -0.203 30 20 DBED N#CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3ccns3)[C@@H]2C1 1188074684 HPVFWEHMKPKDCM-WDEREUQCSA-N 319.390 -0.071 30 20 DBED C=CCOCCN[C@@H]1CCN(C(=O)CS(=O)(=O)CC)C1 1188132881 NKCRCYVWGNKIEW-GFCCVEGCSA-N 304.412 -0.186 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@H]1CCN(C(=O)c2cocn2)C1 1189354071 MWJOEJWABRJCEM-NEPJUHHUSA-N 304.350 -0.041 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)[C@@H](C)NC(=O)CC)C1 1190307352 IKEKTXNXAMBWBZ-OLZOCXBDSA-N 322.409 -0.817 30 20 DBED CC#CCN(C)[C@@H]1CCN(C(=O)CN2CCCS2(=O)=O)C1 1190502624 ZEEYBAHLKAUIKN-CYBMUJFWSA-N 313.423 -0.422 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(Cc2nccn2CC)C[C@H]1O 1191807429 OSHBMIQZRJZUJN-CHWSQXEVSA-N 308.382 -0.233 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1191830065 TYRIZKGLHFJZCV-RMRHIDDWSA-N 307.394 -0.286 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(Cc2nocc2C)C[C@H]1O 1192529615 FUDCDZMNLWMPHF-NFAWXSAZSA-N 309.366 -0.029 30 20 DBED CC#CCN(C)[C@@H]1CCN(C(=O)CC[C@@H]2NC(=O)NC2=O)C1 1193907373 YHQXNXBHIJQWOS-NEPJUHHUSA-N 306.366 -0.469 30 20 DBED CCC(=O)N[C@@H](C)C(=O)N1CCCN(CC(=O)NCC#N)CC1 1195926483 OTHHKWQQMMWNFF-LBPRGKRZSA-N 323.397 -0.925 30 20 DBED CN(C)CCCCC(=O)N1CCCN(CC(=O)NCC#N)CC1 1197885359 DGDJINZQPSTGOM-UHFFFAOYSA-N 323.441 -0.108 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C[C@@H](CC)C(C)C)C1 1197934916 KMHZUQHFLGUFKL-RBSFLKMASA-N 323.437 -0.031 30 20 DBED C[C@@H](NC[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCCO1)C(N)=O 1200199160 FEIBLVAQWVIYTG-PWSUYJOCSA-N 319.365 -0.419 30 20 DBED N#CCNC1CCN(C(=O)CNC(=O)c2ccncc2)CC1 1200695692 VOKCIOBBQXPUMF-UHFFFAOYSA-N 301.350 -0.084 30 20 DBED C#CCNC[C@H]1CN(C(=O)c2cnc3[nH]nnc3c2)CCCO1 1200696907 WQWKFSVYOSXFTD-LBPRGKRZSA-N 314.349 -0.193 30 20 DBED Cn1ccnc1COCC(=O)N1CCCO[C@H](CNCC#N)C1 1200767000 KGMBWXYQJYANGN-CYBMUJFWSA-N 321.381 -0.333 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)c2cnc(O)n2C)CCCO1 1201148302 ZUGXLLQALVFTHW-GFCCVEGCSA-N 306.366 -0.030 30 20 DBED N#CCN1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)C(N)=O)C1 1205181663 FYQLZVLSGJZWPY-CHWSQXEVSA-N 302.334 -0.931 30 20 DBED C#CCCNCC1CCN(C(=O)[C@H](C)NC(=O)COC)CC1 1205382037 WEOGFEAUFFEIIJ-ZDUSSCGKSA-N 309.410 -0.011 30 20 DBED COCC#CCNCC1CCN(C(=O)[C@@H]2CCCNC2=O)CC1 1205492564 FFPWIECSICEQLY-OAHLLOKOSA-N 321.421 -0.009 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCCN(C(=O)C(C)(C)C(N)=O)C1 1208373319 IBNPXZALTNIYCF-NWDGAFQWSA-N 322.409 -0.784 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)CCN(C)CC)C1 1210494769 XQAJFALROVTCNY-CQSZACIVSA-N 308.426 -0.342 30 20 DBED CCCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)C#CC1CC1 1217835601 XRIKUJBRZMLETD-LSDHHAIUSA-N 319.405 -0.162 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2cc(C)oc2C)C1 1219173842 XKYGLEJULQEQHP-KGLIPLIRSA-N 321.377 -0.026 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(CCCOCC)C[C@@H]1O 1219536534 SXAVMGHJESEDAS-IPYPFGDCSA-N 300.399 -0.099 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2cc(C)n(C)n2)C[C@@H]1O 1219613334 DXUAHYQTTMVUJG-CABCVRRESA-N 320.393 -0.570 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)CCNC(=O)c2ccsc2)C1 1219836209 JKOSHZMUOBLQTF-OLZOCXBDSA-N 321.402 -0.338 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)CCc2nc(C(C)C)no2)C1 1220109466 PMKXADPAYYCXQT-NEPJUHHUSA-N 306.366 -0.080 30 20 DBED N#CCNC(=O)CN1CCC(CNC(=O)c2cc[nH]n2)CC1 1222417347 XHCQFSGEKGTRRD-UHFFFAOYSA-N 304.354 -0.509 30 20 DBED C#CCCCC(=O)NC1CCN(Cc2nc(=O)n(C)[nH]2)CC1 1227084788 KEBFYUHHNDZVPT-UHFFFAOYSA-N 305.382 -0.008 30 20 DBED COCC#CCN1CCC(NC(=O)C[C@H]2CCNC2=O)CC1 1227784612 UVSBWZYOOHKDFG-CYBMUJFWSA-N 307.394 -0.257 30 20 DBED COCC#CCN1CCC(NC(=O)C(=O)NCC(F)F)CC1 1228123337 LNGGAQRONKKWIE-UHFFFAOYSA-N 317.336 -0.402 30 20 DBED CN(C[C@@H]1CCN1Cc1nnnn1C)C(=O)CSCC#N 1230814971 JJAJKOSJSLBOKV-JTQLQIEISA-N 309.399 -0.500 30 20 DBED CC(C)C#CC(=O)N(C)C[C@H]1CCN1CCNS(C)(=O)=O 1234170721 MHHHHEQBMZOMLH-CYBMUJFWSA-N 315.439 -0.272 30 20 DBED N#CCNC(=O)CNC(=O)N[C@@H]1CCO[C@]2(CCSC2)C1 1261100128 JHQAORQUGYHULL-ZWNOBZJWSA-N 312.395 -0.020 30 20 DBED N#CCNC(=O)CN1CC[C@H](NC(=O)c2ncccc2O)C1 1269019314 WNNZLJHGKZETQK-JTQLQIEISA-N 303.322 -0.769 30 20 DBED C#CCOCCN(C)CCn1cnc2c1c(=O)n(C)c(=O)n2C 1319550813 AKFCLJYNLXLYIZ-UHFFFAOYSA-N 319.365 -0.985 30 20 DBED C#C[C@H](C)N(C)C(=O)C(=O)Nc1cnc(OC)c(C(N)=O)c1 1321009209 YPONUNSBKHTSMZ-QMMMGPOBSA-N 304.306 -0.392 30 20 DBED C#CCOCCNC(=O)C(=O)NCCCN1CCCCCC1=O 1321357453 KPPSBEOGMVFFPD-UHFFFAOYSA-N 323.393 -0.339 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)NC[C@@H](C)CN1CCOCC1 1323782889 WCBZIABONGHCNY-OLZOCXBDSA-N 313.398 -0.612 30 20 DBED C[C@H](NC(=O)C(=O)N1CC[C@](O)(CC#N)C1)C(C)(C)CN(C)C 1326893446 BQZCAPBOBWWTAS-BLLLJJGKSA-N 324.425 -0.044 30 20 DBED Cn1ncc2c1CCC[C@@H]2NC(=O)C(=O)N1CCO[C@@H](C#N)C1 1327636922 RCCBTNCFIACUBK-JQWIXIFHSA-N 317.349 -0.335 30 20 DBED N#CC[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)C1 1329030577 AKLOHIFAQPJUHD-SRVKXCTJSA-N 322.365 -0.712 30 20 DBED CO[C@H]1CCCN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1 1331989215 QWWAOYLTSSGNIH-KBPBESRZSA-N 320.393 -0.177 30 20 DBED C=CCn1nnnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1334447694 HNWQBLKNDMQUPS-LLVKDONJSA-N 315.399 -0.111 30 20 DBED N#C[C@@H]1CCCN(C(=O)C(=O)NCCCN2CCNCC2)C1 1338291898 POQZTIUULSPJRN-ZDUSSCGKSA-N 307.398 -0.840 30 20 DBED C=C(C)COCCNC(=O)C(=O)N1CCOC[C@@H]1CCO 1341479221 HGVXHSTZTFFJEI-LBPRGKRZSA-N 300.355 -0.695 30 20 DBED N#C[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2CC(=O)N(C3CC3)C2)C1 1354460173 OESOJQACBORVDA-NWDGAFQWSA-N 318.377 -0.124 30 20 DBED N#Cc1ccc(CC(=O)NC[C@@]2(O)CCS(=O)(=O)C2)cc1 1362957568 MNFBPFLVBRZKOY-AWEZNQCLSA-N 308.359 -0.233 30 20 DBED C=C(Cl)CNC[C@H](O)CN(C)C(=O)CNC(=O)C1CC1 1369442169 BJVOFNGIWAYUCC-NSHDSACASA-N 303.790 -0.326 30 20 DBED C=C(Cl)CN1CCN(CCNC(=O)[C@H](C)NC(C)=O)CC1 1369878480 SCVUSCOTSHYJFE-LBPRGKRZSA-N 316.833 -0.003 30 20 DBED CCCS(=O)(=O)CC(=O)N(C)C[C@@H](C)NC(=O)[C@H](C)C#N 1370515605 HBJLPZOERJGNOY-GHMZBOCLSA-N 317.411 -0.066 30 20 DBED CNC(=O)NC(=O)CN1CC[C@@H]1CNC(=O)c1cc(C#N)c[nH]1 1375294148 JCRUYQLQADGUJM-SNVBAGLBSA-N 318.337 -0.854 30 20 DBED C[C@H](C#N)C(=O)NCCN(C[C@H](O)Cn1cccn1)C1CC1 1377521029 XIKFNHCXMGQHEK-OCCSQVGLSA-N 305.382 -0.016 30 20 DBED C=C(Cl)CN[C@@H]1CCN(C(=O)CS(=O)(=O)NC)[C@H]1C 1379574266 UKFNRDZNEDZSOI-VHSXEESVSA-N 309.819 -0.133 30 20 DBED CCn1ccnc1C(=O)N(C)C[C@@H](O)CNC(=O)[C@@H](C)C#N 1384223530 XBJJHRWZPDKZET-QWRGUYRKSA-N 307.354 -0.388 30 20 DBED CC(=O)N[C@@H](C)C(=O)NCCN(C)C(=O)c1cc(C#N)c[nH]1 1386791128 QRPFDVFUHIAGFA-VIFPVBQESA-N 305.338 -0.401 30 20 DBED C[C@H](C#N)C(=O)NCCN(C(=O)[C@@H](C)S(C)(=O)=O)C1CC1 1398362471 CJFKCGWXJPVFLR-NXEZZACHSA-N 315.395 -0.314 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNCc1nc(C2CC2)nn1C 1401504644 QTKVMYZDIOZPOV-ONGXEEELSA-N 306.370 -0.581 30 20 DBED C[C@H](CCNC(=O)CN(C)S(C)(=O)=O)NC(=O)[C@H](C)C#N 1429058997 JZMAYCLIFAKTCQ-NXEZZACHSA-N 318.399 -0.952 30 20 DBED C[C@@H](CC(N)=O)C(=O)NCCN(C)C(=O)c1cc(C#N)c[nH]1 1429411606 NKRRZWNWTJFTFR-VIFPVBQESA-N 305.338 -0.414 30 20 DBED CC[C@H](CNC(=O)CCS(C)(=O)=O)NC(=O)[C@H](C)C#N 1430637568 UTIPCRHUEGPPFQ-NXEZZACHSA-N 303.384 -0.408 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)CN(C)CC(C)(C)C 1431566752 GYFYQQMPFZFROR-RYUDHWBXSA-N 312.414 -0.283 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)c2ccccn2)C1 1432781116 SNIRUWNGQGWOEJ-NHYWBVRUSA-N 302.334 -0.066 30 20 DBED CNC(=O)Cn1cc(NC(=O)[C@@H](C)n2cnc(C#N)n2)cn1 1464312725 QMUCPPDWTVCWDX-MRVPVSSYSA-N 302.298 -0.708 30 20 DBED CN1CCN(C(=O)CNC(=O)Nc2ccc(C#N)cn2)CC1 1467102116 PRRGWAPMUQEAGW-UHFFFAOYSA-N 302.338 -0.151 30 20 DBED C[C@@H](C#N)C(=O)N1CC(CNC(=O)CNC(=O)C(C)(C)C)C1 1498544896 VHYRHJWVOZRCET-JTQLQIEISA-N 308.382 -0.117 30 20 DBED CC(=O)N[C@@H](C)C(=O)NC[C@@H](C)CNC(=O)c1ccc(C#N)[nH]1 1500057519 NJLXCKYNRBLTDS-ZJUUUORDSA-N 319.365 -0.107 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CC[C@H](NC(=O)C2(NC(N)=O)CC2)CC1 1531893089 ANRAUQUDKNJFQL-GMTAPVOTSA-N 321.381 -0.109 30 20 DBED N#Cc1cc(C(=O)NC[C@@H](O)CNC(=O)[C@H]2CCOC2)c[nH]1 1533206774 XVYIPRPDXYYDIY-CABZTGNLSA-N 306.322 -0.870 30 20 DBED C#Cc1ccc(C(=O)N2CCC[C@@H]2C(=O)NCC(=O)O)cn1 1573312070 MKRMAFDQLBQKSQ-GFCCVEGCSA-N 301.302 -0.132 30 20 DBED CCN1C[C@H](CNc2cnc(-c3nn[nH]n3)c(C#N)n2)CC1=O 1578215197 KFAICMBQRBABOW-QMMMGPOBSA-N 313.325 -0.191 30 20 DBED C#CC[C@H](NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)C(=O)O 1588405531 QXNAPZDKQKBUPX-NSHDSACASA-N 319.273 -0.083 30 20 DBED C#CCN(CC(=O)O)c1nnc(-c2cc[nH]n2)n1CCOC 1588426560 OVPMIUFSMBSJNI-UHFFFAOYSA-N 304.310 -0.161 30 20 DBED N#Cc1nc(NC(=O)[C@@H]2CCc3cncn3C2)[nH]c1-c1nn[nH]n1 1592683080 KFKWTAUNMSEHLX-SSDOTTSWSA-N 324.308 -0.141 30 20 DBED C[C@@H](CS(C)(=O)=O)C(=O)N1CCC(C#N)(C(=O)O)CC1 1592813808 HSWFOAMWEBMEOC-VIFPVBQESA-N 302.352 -0.116 30 20 DBED CN(CCC(=O)O)C(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1593731343 LPQYNYOQUNUXEC-LLVKDONJSA-N 308.338 -0.882 30 20 DBED N#Cc1csc(CNS(=O)(=O)c2cc(C(=O)O)[nH]n2)n1 1608224029 NZLPHMONADYANW-UHFFFAOYSA-N 313.320 -0.085 30 20 DBED CNC(=O)CN1CCC(NC(=O)N2CC[C@](O)(CC#N)C2)CC1 1647235565 JOQPCJFVGVZFMJ-OAHLLOKOSA-N 323.397 -0.743 30 20 DBED N#C[C@H]1CNC[C@H]1NC(=O)c1csc(S(N)(=O)=O)c1 1647244935 WYDOBOXCXZWKLA-JGVFFNPUSA-N 300.365 -0.763 30 20 DBED C#CCOCCC(=O)N1CC[C@H](NC(=O)C2(C(N)=O)CC2)[C@H]1C 1680452503 HQAWYRPCXIPUIT-NEPJUHHUSA-N 321.377 -0.603 30 20 DBED CC[C@@H](C(=O)NC[C@H]1CCCCN1CC(=O)NCC#N)N(C)C 1713256754 NWDVTDAPTBMRCV-KGLIPLIRSA-N 323.441 -0.063 30 20 DBED CC#CCN1CCN(CCNC(=O)[C@H](C)S(C)(=O)=O)CC1 1752366822 AQWHHHXLEIYYOE-ZDUSSCGKSA-N 315.439 -0.823 30 20 DBED CCOc1cc(C(=O)NCCN2CCN(CC#N)CC2)[nH]n1 1752367250 KXILCVAYJREBDN-UHFFFAOYSA-N 306.370 -0.321 30 20 DBED COc1c(O)nc(O)nc1C(=O)NC[C@H](NCC#N)C1CC1 1752490428 IEMMAFNQUVICPF-QMMMGPOBSA-N 307.310 -0.482 30 20 DBED C#CCNC(=O)CN[C@H](C)CNC(=O)c1ccn(CC(C)C)n1 1752876562 BLANFTMALWZQTQ-CYBMUJFWSA-N 319.409 -0.004 30 20 DBED C#CCN1CCC(C(=O)NC[C@H](C)N[C@@H](C)C(=O)NC)CC1 1752921654 WSOSBNIRNFJOFQ-STQMWFEESA-N 308.426 -0.440 30 20 DBED C#CCCN[C@H]1CCC[C@H](NC(=O)CS(=O)(=O)N(C)C)C1 1752980176 JYCZGGXLSQCSDO-STQMWFEESA-N 315.439 -0.082 30 20 DBED C=CCOCC(=O)NC[C@H]1CCCN1Cc1nc(=O)n(C)[nH]1 1753098664 XOPHWZZPNGCNBB-LLVKDONJSA-N 309.370 -0.608 30 20 DBED CCOCC(=O)N1CCC[C@H](C)[C@H]1CNCC(=O)NCC#N 1753804708 VMBCPKBQEJAVNZ-QWHCGFSZSA-N 310.398 -0.121 30 20 DBED C#CCNC[C@H]1[C@H](C)CCCN1C(=O)CN(C)C(=O)COC 1753815567 AHJFMAQKONPFDU-KGLIPLIRSA-N 309.410 -0.059 30 20 DBED C=CCNC[C@H](O)CNC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 1753918678 ABAIIEWKIUHWBJ-KGLIPLIRSA-N 309.410 -0.112 30 20 DBED CCCc1nc(C(=O)NC[C@H](O)CNCC#CCOC)co1 1753933369 JXNJDEKNVWKLID-GFCCVEGCSA-N 309.366 -0.043 30 20 DBED C#CCNC(=O)[C@@H](C)NCC[C@H](C)NC(=O)c1cn(C)cn1 1753957524 PAIJXXWGRYSTLQ-NWDGAFQWSA-N 305.382 -0.344 30 20 DBED C#CCNC(=O)[C@H](C)NCC[C@@H](C)NC(=O)c1cn(C)nn1 1753962546 SGCYRUHRMWFXNQ-MNOVXSKESA-N 306.370 -0.949 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@@H](C)NC(=O)c1cn(C)nc1C 1754220619 LAPKGZOEJIHQIO-ZYHUDNBSSA-N 305.382 -0.426 30 20 DBED C#CCNC(=O)CNC[C@H](NC(=O)c1nn(C)cc1C)C1CC1 1754438730 FDKRTHMASWVNKD-ZDUSSCGKSA-N 317.393 -0.424 30 20 DBED C=CCCOCC(=O)N[C@]1(C)CCN(CC(=O)NCC#N)C1 1754685928 VKTFDJMHURLWLH-OAHLLOKOSA-N 308.382 -0.201 30 20 DBED CC#CCNCC[C@H]1CCN(C(=O)[C@@H](C)NS(C)(=O)=O)C1 1754932869 IKTKRXXYUNUAHB-OLZOCXBDSA-N 315.439 -0.224 30 20 DBED C=CCCNC1(C)CCN(C(=O)CNC(=O)CNC(C)=O)CC1 1755130277 FOGPWRXKISNMQK-UHFFFAOYSA-N 324.425 -0.215 30 20 DBED C#CCOCCC(=O)N1C[C@H]2CC[C@H]1CN2Cc1nc(O)n[nH]1 1755395417 NBFMIFLMPAQVFY-NEPJUHHUSA-N 319.365 -0.275 30 20 DBED C#Cc1ccc(C(=O)N2CCO[C@H]([C@H](C)NCC(N)=O)C2)cn1 1755462715 YNESKJZKQAEWBO-FZMZJTMJSA-N 316.361 -0.633 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@H]1C[C@H](NC(=O)c2cnns2)C1 1755466553 VZHUUVNMRRTWDO-DCAQKATOSA-N 321.406 -0.226 30 20 DBED Cc1cc(C(=O)N[C@@H](C)CCCNCC(=O)NCC#N)ncn1 1755494420 SPVGQFGHKFLYJK-NSHDSACASA-N 318.381 -0.087 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H](CO)CNC(=O)C1CCCCC1 1755621305 LHJQKRPETNHDLU-OCCSQVGLSA-N 309.410 -0.229 30 20 DBED CC(C)C#CC(=O)N[C@@H](C)[C@@H](C)NC(=O)CN1CCNC(=O)C1 1755966483 HHKXJJDTCIZCQA-QWHCGFSZSA-N 322.409 -0.913 30 20 DBED C=CCn1cc(C(=O)N[C@H](CO)CNC(=O)[C@@H](C)C2CC2)nn1 1756511369 ZJLHKURQSIRABJ-JQWIXIFHSA-N 321.381 -0.283 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(C(=O)COCC=C)C[C@H]1OC 1757128953 OZBKYQOUMXAMGM-BFHYXJOUSA-N 324.377 -0.431 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H]1C[C@@H](NC(=O)Cc2nc[nH]n2)C1 1757319415 XJZCAEOGCXYIKE-SDDRHHMPSA-N 319.365 -0.604 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N1CCO[C@@](C)(C(=O)O)C1 1776398558 QQOFGKHVXUIQPN-GXSJLCMTSA-N 305.356 -0.359 30 20 DBED COC[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC#N 1795078822 LYDLPVHQKCGTTQ-FMSGJZPZSA-N 309.366 -0.228 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)CN2CCCC2)CC1 103150627 VMPVJBKKQHHGKD-AWEZNQCLSA-N 306.410 -0.636 30 20 DBED N#CCCCCN1CCN(C(=O)CN2C(=O)CCC2=O)CC1 104964346 YLXSKCNLGCWJFJ-UHFFFAOYSA-N 306.366 -0.027 30 20 DBED C=CCN(CCN1C(=O)CCC1=O)[C@H]1CCS(=O)(=O)C1 121176583 WXRDFIOZXYUNDB-NSHDSACASA-N 300.380 -0.190 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCC[C@H]2CCO)C1=O 275135252 MZAYYZLGBUXVBF-QWRGUYRKSA-N 323.349 -0.370 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N1CC[C@H]2[C@@H](C1)NC(=O)N2C 285732287 KMQZLUHGVVXWDU-MXWKQRLJSA-N 309.370 -0.515 30 20 DBED C#CCO[C@@H](C)C(=O)N(CCN1CCOCC1)CC(=O)OC 294512287 GCOQUEQCHXUGFF-ZDUSSCGKSA-N 312.366 -0.642 30 20 DBED COCCCNC(=O)CN(C)CC(=O)N[C@@](C)(C#N)C1CC1 302854279 GPAKYMGYHRURSR-HNNXBMFYSA-N 310.398 -0.121 30 20 DBED CN1CCO[C@@H](CN/C(O)=N/CCC(=O)N2CCOCC2)C1 329088322 HVBYXBMUUPQDAU-LBPRGKRZSA-N 314.386 -0.931 30 20 DBED C[C@H](O)C[C@H]1COCCN1/C(O)=N/CCN1C(=O)CCC1=O 329855198 XENXQYCJAMIEGK-QWRGUYRKSA-N 313.354 -0.479 30 20 DBED CCS(=O)(=O)N1CC(C/N=C(/O)CN2CCOCC2=O)C1 329885756 VCIBGKCGNNRIFL-UHFFFAOYSA-N 319.383 -0.917 30 20 DBED CN1CCO[C@H]2CN(S(=O)(=O)c3ccc(C#N)nc3)C[C@H]21 329907245 KSVHSNASEGTYIV-OLZOCXBDSA-N 308.363 -0.343 30 20 DBED O=C([C@@H]1CCCO1)N1CCN(/C(O)=N/[C@@H]2[C@H]3COC[C@H]32)CC1 330024025 JMIWBAGHOVIUGQ-QNWHQSFQSA-N 309.366 -0.132 30 20 DBED CC(C)C(=O)NCC/N=C(/O)N1CC[C@H](S(C)(=O)=O)C1 330421171 QBDZPLQSAZOFET-JTQLQIEISA-N 305.400 -0.209 30 20 DBED CCCNC(=O)CC/N=C(/O)N1CC[C@@H](S(C)(=O)=O)C1 330430277 VMPOIAPPYJNAKO-SNVBAGLBSA-N 305.400 -0.064 30 20 DBED CC(=O)NC[C@@H]1CN(CC(=O)N/C(O)=N/CC(C)C)CCO1 330824172 OJODRYONFRDKOH-GFCCVEGCSA-N 314.386 -0.491 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@H]1CN2CCN1CC2 336898888 PHGUGBRKDSWEMF-OLZOCXBDSA-N 315.443 -0.698 30 20 DBED CCC[C@@H](CCO)CNS(=O)(=O)N1CCO[C@H](C#N)C1 337086375 FAIDQURGSQXYDH-NWDGAFQWSA-N 305.400 -0.156 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)NCC1(O)CCN(C)CC1 337092056 LYPRRUIAHJFBJZ-LBPRGKRZSA-N 318.443 -0.241 30 20 DBED COCCN(CCC#N)S(=O)(=O)N(C)[C@H]1CCN(C)C1=O 337103339 XWBFZAFCTHFNGQ-NSHDSACASA-N 318.399 -0.744 30 20 DBED N#Cc1cccc(CNC(=O)C(=O)NC[C@@H]2COCCO2)c1 340149203 OBPSWJBPEOUEAJ-CYBMUJFWSA-N 303.318 -0.294 30 20 DBED CCN(C(=O)Cn1cccc(C#N)c1=O)[C@H]1CCS(=O)(=O)C1 342687292 MNHPSNPLQNQXSB-LBPRGKRZSA-N 323.374 -0.244 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N1C[C@H]2CCS(=O)(=O)[C@H]2C1 352648660 XNPAUPYJQHMFLE-MXWKQRLJSA-N 321.424 -0.558 30 20 DBED C=C[C@@H](CO)NC(=O)C(=O)Nc1ccc2c(c1)N(C)C(=O)CO2 354561491 FWFDTONYMVVDCW-VIFPVBQESA-N 319.317 -0.357 30 20 DBED COC(=O)[C@H]1CN(C(=O)NCCn2cnc(C#N)n2)C[C@@H](C)O1 357815821 NQKJNEWGEQZGOU-NXEZZACHSA-N 322.325 -0.878 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC(CC(N)=O)CC1 407956345 VIWOISOKNMSQCS-JTQLQIEISA-N 302.400 -0.090 30 20 DBED CC[C@@H](C#N)NC(=O)[C@H](C)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 484428260 GFHXTFAZECKVHQ-IXAFYFBPSA-N 305.334 -0.044 30 20 DBED C#CCNC(=O)CCNC1CCN(CCC(=O)N(C)C)CC1 491699430 NJAVVWLFIQJOBG-UHFFFAOYSA-N 308.426 -0.342 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2cnnc(C)c2)CC1 491742539 SSCKMSZCHQMQGG-UHFFFAOYSA-N 301.350 -0.708 30 20 DBED CC#CCCNC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 541746224 GZBNIRDDEXMARP-NWDGAFQWSA-N 312.391 -0.448 30 20 DBED CC(=O)NCCN(C)CCS(=O)(=O)c1ccc(C#N)cn1 573365065 QBTVCQZXWHVTQX-UHFFFAOYSA-N 310.379 -0.205 30 20 DBED CCC[C@@H](O)[C@@H](NS(=O)(=O)c1cncc(C#N)c1)C(=O)O 579299899 LEUSQAWXPWOGAF-GHMZBOCLSA-N 313.335 -0.154 30 20 DBED CCN(CCC#N)S(=O)(=O)N[C@H](C(=O)O)c1ccnn1C 592458973 XOOCWXHFNAWPFW-JTQLQIEISA-N 315.355 -0.384 30 20 DBED CN(C)C[C@@](C)(C#N)NC(=O)Cn1nc2n(c1=O)CCCC2 593153173 CEAMNUGQYJCFBT-CQSZACIVSA-N 306.370 -0.659 30 20 DBED C=CCOC[C@H](NC(=O)[C@@H]1CCCS(=O)(=O)C1)C(=O)OC 593678655 RYPCFTUPSDSQHO-MNOVXSKESA-N 319.379 -0.328 30 20 DBED COC(=O)C[C@H](O)CNC(=O)C(=O)Nc1ccc(C#N)cc1 600058326 QDKOGNAJEIHSIC-NSHDSACASA-N 305.290 -0.463 30 20 DBED COCCN(C)CCN1C[C@H](Nc2nccnc2C#N)CC1=O 601177965 GKWKRYYXISJDMG-GFCCVEGCSA-N 318.381 -0.061 30 20 DBED COCCN(C)CCN1C[C@@H](N=c2cc[nH]cc2C#N)CC1=O 601177986 GZXDIFJDBGKFCL-AWEZNQCLSA-N 317.393 -0.034 30 20 DBED CCN1CCCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)[C@H](C)C1 601439735 KHRSJRFRDXYLQD-OLZOCXBDSA-N 316.427 -0.128 30 20 DBED N#CCCn1ccc(NC(=O)NC[C@H]2CC[C@H](C(N)=O)O2)n1 610743475 STRIZVRBMCBJQP-NXEZZACHSA-N 306.326 -0.049 30 20 DBED C=C[C@@](C)(O)C(=O)NCCNS(=O)(=O)Cc1ccon1 612029135 OWGISRDNKUDWPK-LLVKDONJSA-N 303.340 -0.853 30 20 DBED C=CCCn1cc(CNS(=O)(=O)N2CCOCC2)nn1 632635742 KEOJVVLJHGVOLZ-UHFFFAOYSA-N 301.372 -0.479 30 20 DBED C=CCn1cc(C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)O)nn1 649248672 GYYQPQUCUCHOBS-JTQLQIEISA-N 323.353 -0.191 30 20 DBED C=C[C@H](CO)NC(=O)N[C@H]1C[C@H](C)N(c2cnn(C)c2)C1=O 664265947 WZPWKLLDHGGTBA-UMNHJUIQSA-N 307.354 -0.240 30 20 DBED CS(=O)(=O)N1CCCN(C(=O)[C@H](N)CCCC#N)CC1 703165880 ASFQQITUUPDZRK-LLVKDONJSA-N 302.400 -0.499 30 20 DBED CC#CC[C@H](CO)NC(=O)C1CCN(S(C)(=O)=O)CC1 717761228 OVJGUSOUDXLKAY-GFCCVEGCSA-N 302.396 -0.452 30 20 DBED C#CCCCCCC(=O)N1CCN(C(=O)Cn2cnnn2)CC1 780358915 OMGFLUQDOOGGCK-UHFFFAOYSA-N 318.381 -0.072 30 20 DBED C=CCS(=O)(=O)CCNC(=O)NCCNC(=O)C1CC1 782999725 MIYPCUOZSOYHLH-UHFFFAOYSA-N 303.384 -0.587 30 20 DBED C[C@H](NC(=O)COC(=O)[C@@](C)(C#N)CC(=O)O)C(=O)N(C)C 820122570 TZUNGQILVAEZLQ-ISVAXAHUSA-N 313.310 -0.873 30 20 DBED N#CCNC(=O)COC(=O)Cc1cccc(-c2nn[nH]n2)c1 822810231 DTHVWXWGMIVPDT-UHFFFAOYSA-N 300.278 -0.408 30 20 DBED CC(C)[C@H](C(=O)N[C@H]1CNC[C@@H]1C#N)N1CCCS1(=O)=O 834500466 TZBZSXYTAKVKPO-SDDRHHMPSA-N 314.411 -0.726 30 20 DBED C#CCNC(=O)CN1CCN(CCN2C[C@H](C)O[C@H](C)C2)CC1 851750738 JECQQJFPYVTOBM-IYBDPMFKSA-N 322.453 -0.537 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1CC[C@@H](N2CCOC2=O)C1 852432976 RKJNRRHPWZKGSO-WDEREUQCSA-N 310.354 -0.087 30 20 DBED C#CC[C@H](CO)NC(=O)c1ccc2c(c1)NC(=O)CNC2=O 854540344 AAGVKGMAJALVRO-SNVBAGLBSA-N 301.302 -0.518 30 20 DBED C#CC[C@@H](CO)NC(=O)CNS(=O)(=O)c1ccc(C)cc1 854548668 VIWDGRVWTIPFGP-LBPRGKRZSA-N 310.375 -0.226 30 20 DBED C#C[C@@H](NC(=O)N1CC(NS(C)(=O)=O)C1)[C@H]1CCCO1 875506911 REHNYXCNLYWEPT-GHMZBOCLSA-N 301.368 -0.890 30 20 DBED CCOCCCNC(=O)[C@@H](C#N)C(=O)c1c[nH]c(C(N)=O)c1 917423377 WOSXKABGYDAJQG-JTQLQIEISA-N 306.322 -0.021 30 20 DBED C#CCN1CCC[C@H](NC(=O)Cn2cc(C(=O)OC)nn2)C1 923572692 KWUCBDZQUNFKHU-NSHDSACASA-N 305.338 -0.722 30 20 DBED C#CC1(O)CN(CCS(=O)(=O)CC(=O)OC(C)(C)C)C1 934450460 JIWUJRRHRJQLCC-UHFFFAOYSA-N 303.380 -0.577 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](NC(=O)c2ccc(=O)n(C)n2)[C@H](C)C1 940417409 XCXYSYDJBSFFHR-CKYFFXLPSA-N 317.349 -0.483 30 20 DBED CO[C@@H](C)C(=O)N1CCO[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 944535280 QRFHRRWEPOKFPX-CMPLNLGQSA-N 320.349 -0.122 30 20 DBED C=CC(C)(C)C(=O)N1CCO[C@@H](CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 944781671 OCQXFVYHWQIKGD-TUAOUCFPSA-N 323.393 -0.336 30 20 DBED C[C@@H]1CCCN(C(=O)C(N)=O)[C@@H]1CNC(=O)c1cc(C#N)c[nH]1 945800714 NHAXQNMDFVGEEK-BXKDBHETSA-N 317.349 -0.271 30 20 DBED CC#CCN1CC[C@H](NC(=O)Cn2nc(C)n(C)c2=O)C[C@H]1C 947983577 CAGNKAYENDSVTQ-OCCSQVGLSA-N 319.409 -0.117 30 20 DBED C#CCN1CC[C@H](NC(=O)Cn2nc(C)n(C)c2=O)C[C@H]1C 947985438 LMMAZGVWYWHKNR-YPMHNXCESA-N 305.382 -0.507 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(NC(=O)[C@]2(C)CCNC2=O)CC1 948095923 CQGSWZKHHBUWQE-ZUZCIYMTSA-N 306.366 -0.221 30 20 DBED CN1C[C@@H](C(=O)N2CCOC3(CCN(CC#N)CC3)C2)NC1=O 949156578 RWLACSAYXCEPLS-LBPRGKRZSA-N 321.381 -0.773 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H]2CCN2C(=O)[C@@H]2CCNC2=O)c1 949301961 NCSFJYGEQIPYAY-GHMZBOCLSA-N 315.333 -0.647 30 20 DBED CC#CCN1CCOC2(CCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)C1 949472605 JBGAHURHUURMJC-KGLIPLIRSA-N 319.405 -0.176 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]1CNC(=O)c1cn(C)c(=O)n1C 950633537 MINUVMNROSADQP-NXEZZACHSA-N 305.338 -0.786 30 20 DBED CC#CCN1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)CC1 957319482 OZQGWCHBQOVXAN-UHFFFAOYSA-N 300.322 -0.801 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2cnc(N(C)C)cn2)C1 958070081 VYVJNBQMIZMGKT-DGCLKSJQSA-N 303.366 -0.802 30 20 DBED C=CCN1C[C@@H](O)[C@@H](CNC(=O)c2cc(C(N)=O)cn2C)C1 958218115 ABJXMBUEZNOBCL-WCQYABFASA-N 306.366 -0.668 30 20 DBED N#CCN1C[C@H](O)[C@H](CNC(=O)c2occ3c2CCOC3)C1 958291818 TUUYTYLTASKETB-MFKMUULPSA-N 305.334 -0.102 30 20 DBED C=C1CC(C)(C(=O)N2C[C@H](O)[C@H](NC(=O)Cn3cccn3)C2)C1 961552780 LXSHQIQGXQLMFF-OLZOCXBDSA-N 318.377 -0.073 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@H](NC(=O)[C@H]2COCCO2)C1 961655281 KKUXWVXKDOJPTP-GRYCIOLGSA-N 312.366 -0.698 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2[C@H]1CCCN2C(=O)C(N)=O 963543159 VHIRSAJBVFVOFU-NDBYEHHHSA-N 321.377 -0.345 30 20 DBED CC1(C(=O)N[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]2O)CC1 965903792 PZNUBPDBPRWRDN-NEPJUHHUSA-N 302.334 -0.012 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](N(C)CC(=O)N2CCOCC2)C1 971222526 ZAKSJOWLRILYMT-CHWSQXEVSA-N 308.382 -0.462 30 20 DBED C#CCCN1CCO[C@@]2(CCN(C(=O)[C@@H]3CCNC(=O)C3)C2)C1 972340634 ZJUPXWKURCXUSJ-PBHICJAKSA-N 319.405 -0.161 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)[C@H]3C[C@H]3C(=O)N(C)C)C2)C1 972552171 KQBOJJYXXPWZQC-JKIFEVAISA-N 319.405 -0.353 30 20 DBED C#CCCN1CCO[C@@]2(CCN(C(=O)Cc3nc[nH]n3)C2)C1 972631839 OYRBDAKWGPNNBY-HNNXBMFYSA-N 303.366 -0.326 30 20 DBED C#CCN1C[C@H](NC(=O)[C@@H]2Cc3cncn3C(=O)N2)C(C)(C)C1 974880651 PQUIPRZPKFHCPQ-STQMWFEESA-N 315.377 -0.175 30 20 DBED CCN1C[C@@H](C(=O)N[C@H]2[C@@H]3CN(C(=O)[C@@H](C)C#N)C[C@@H]32)CC1=O 976665264 XJOVTUIDQOXNDM-ZXPJVPCYSA-N 318.377 -0.413 30 20 DBED Cc1nnc2n1C[C@H](C(=O)NCC1[C@H]3CN(CC#N)C[C@H]13)CC2 979099639 HEPSMZPFJGUOAC-MRVWCRGKSA-N 314.393 -0.034 30 20 DBED N#CCN1CCCC2(C1)CN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)C2 982009223 JOXCUNBWZPRNJA-NWDGAFQWSA-N 306.366 -0.533 30 20 DBED C=CCn1cc(C(=O)NC2CN(C(=O)[C@H](CC)N(C)C)C2)nn1 991673922 QNGQBKJRPODRPP-ZDUSSCGKSA-N 320.397 -0.255 30 20 DBED C=CCn1cc(C(=O)NC2CN(C(=O)c3cnn(C)c3)C2)nn1 991676792 MVQODPSXDDGYAQ-UHFFFAOYSA-N 315.337 -0.548 30 20 DBED C=CCn1cc(C(=O)N[C@]23CCC[C@H]2N(CC(N)=O)CC3)nn1 992307265 QXZDUIHAISWGMD-DOMZBBRYSA-N 318.381 -0.324 30 20 DBED CC#CCN1CCC[C@H](NC(=O)c2cn(CC(N)=O)nn2)[C@H]1C 994491807 YNUMWEBGGPLQHX-NEPJUHHUSA-N 318.381 -0.631 30 20 DBED C[C@@H]1OCCO[C@@H]1C(=O)NC1CN(C(=O)c2c[nH]c(C#N)c2)C1 994761205 ZQJSNQJBVPOMDP-ZANVPECISA-N 318.333 -0.369 30 20 DBED C#CCN[C@H]1CN(C(=O)CN2CCCS2(=O)=O)CC1(C)C 995890109 ZGDMZUBHGOBZPK-LBPRGKRZSA-N 313.423 -0.518 30 20 DBED C=CCNC1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)CC1 997176168 MHELOJUVRMJWPJ-UHFFFAOYSA-N 302.338 -0.202 30 20 DBED N#CCN[C@H]1CCCN(C(=O)c2cnn3c(=O)cc[nH]c23)C1 1000398705 ZIOHFLMXHZBJCO-JTQLQIEISA-N 300.322 -0.260 30 20 DBED C#CCN[C@@H]1CCCN(C(=O)C[C@]2(C)CCS(=O)(=O)N2)C1 1000789718 OTGUHLRMFINCDN-OCCSQVGLSA-N 313.423 -0.328 30 20 DBED Cn1nnc(CN2CCC(NC(=O)c3ccc(C#N)[nH]3)CC2)n1 1002624539 BBPYZEFOUBGMKR-UHFFFAOYSA-N 314.353 -0.196 30 20 DBED Cc1nn[nH]c1C(=O)NCC1CN(C(=O)c2cc(C#N)c[nH]2)C1 1003532006 MWNRPTPTCHRGKX-UHFFFAOYSA-N 313.321 -0.185 30 20 DBED C[C@H](NC(=O)C1CC(=O)NC(=O)C1)C1CN(C(=O)[C@H](C)C#N)C1 1006419704 FXUZAOAOGZTJDN-BDAKNGLRSA-N 320.349 -0.838 30 20 DBED C#Cc1ccc(C(=O)N2C[C@@H]3C(NC(=O)c4cnn[nH]4)[C@H]3C2)nc1 1013380964 ZAYJMZMFXWHXQD-QWRGUYRKSA-N 322.328 -0.319 30 20 DBED N#CCN1CCC2(CC1)C[C@H]2NC(=O)CC1CS(=O)(=O)C1 1016699968 LYDQEOPYIQUHHQ-GFCCVEGCSA-N 311.407 -0.085 30 20 DBED N#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)CCN1C(=O)CCC1=O 1017717693 QTVYDUQBNAIOIF-TXEJJXNPSA-N 304.350 -0.276 30 20 DBED N#CCN[C@H]1CCN(C(=O)c2cn(C3CCOCC3)nn2)C1 1019618482 JEMHPVKOXMJDKX-NSHDSACASA-N 304.354 -0.043 30 20 DBED Cc1c(C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2O)cnn1C 1023069675 SKDGDVBWADBLPE-ZIAGYGMSSA-N 316.361 -0.557 30 20 DBED CC(C)(F)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 1023328113 WRSJLVXFYRWNRJ-GHMZBOCLSA-N 308.313 -0.064 30 20 DBED CN(CC#N)[C@@H]1CCCN(C(=O)c2cn(C)c(=O)nc2O)C1 1027677380 SLEPMBAATQXUKZ-SNVBAGLBSA-N 305.338 -0.454 30 20 DBED CN(CC#N)[C@H]1CCCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 1027683310 HDHJUWSMUXVGME-QWRGUYRKSA-N 300.384 -0.876 30 20 DBED C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1COCCN1C(C)=O 1032791677 DTYGMOYWWJSQGD-KKUMJFAQSA-N 305.378 -0.458 30 20 DBED C=C(Cl)CN1CC[C@H](N(C)C(=O)Cn2ncn(C)c2=O)C1 1033202985 AIRASEJSTHBMDS-NSHDSACASA-N 313.789 -0.133 30 20 DBED C=C(Cl)CN1CCO[C@H](CNC(=O)c2nnn(C)n2)C1 1035476803 FVIHETJBTDUOQF-SECBINFHSA-N 300.750 -0.607 30 20 DBED CC[C@@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)CC[C@@H]1NCC#N 1037845191 NKXJHBSXZXERIH-MNOVXSKESA-N 319.369 -0.883 30 20 DBED C#CCN1CCC(C(=O)NC[C@@H]2CCN2[C@H](CC)C(N)=O)CC1 1039042228 NSGIEHZDFUZEJU-LSDHHAIUSA-N 320.437 -0.214 30 20 DBED C=CCCCC(=O)N1CC[C@](O)(CNC(=O)c2nc[nH]n2)C1 1040547400 QNLQTTWEBZKTIR-AWEZNQCLSA-N 307.354 -0.146 30 20 DBED Cc1ncc(CC(=O)N2CC[C@](O)(CNC(=O)[C@@H](C)C#N)C2)o1 1040760030 LMZWHDVKSDXYBW-BONVTDFDSA-N 320.349 -0.235 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)c2ccco2)C1 1041208974 JNBNPGGCEPBLOT-UHFFFAOYSA-N 306.318 -0.377 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)CCC2CC2)C1 1043038969 AUAVXDWVKPMKDA-LBPRGKRZSA-N 308.378 -0.096 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)c2c[nH]cc2C)C1 1043111457 MNLWBVBFXXGCBZ-UHFFFAOYSA-N 307.350 -0.171 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)CCc2cn[nH]c2)C1 1043218797 MSBPXITUHKSVMP-UHFFFAOYSA-N 322.365 -0.766 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)c2ccsn2)C1 1043588790 KDSIAESAZUFHLB-UHFFFAOYSA-N 323.374 -0.514 30 20 DBED CO[C@H](C)C(=O)N1CCO[C@@H]2CN(c3cnc(C#N)cn3)C[C@@H]21 1043671409 VWEROLVYSDCFHQ-KGYLQXTDSA-N 317.349 -0.201 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)c3cccnn3)C2)nn1 1044132719 JEKUJMZKKZRDHX-NEPJUHHUSA-N 311.305 -0.882 30 20 DBED CC#CCCCC(=O)NCC1(O)CN(C(=O)c2cnon2)C1 1044994399 RJHBGNYIXJUROX-UHFFFAOYSA-N 306.322 -0.434 30 20 DBED C=C[C@H](CC)CC(=O)NCC1(O)CN(C(=O)CNC(C)=O)C1 1045064350 PTRCEGKRDSQOOI-GFCCVEGCSA-N 311.382 -0.586 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)[C@H](C)Cc2cnc[nH]2)C1 1045554803 JWQQXSQRKFJJBI-MNOVXSKESA-N 319.365 -0.563 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)c2ncc(F)cc2F)C1 1045564332 FXYNDLOBMVZGQP-MRVPVSSYSA-N 324.287 -0.177 30 20 DBED COCCCOCC(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1046598305 XRYQXVBXTKRDEO-UHFFFAOYSA-N 324.377 -0.858 30 20 DBED C=C(C)CN1CC[C@](C)(NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 1046666930 NQOQDIIIXADOOH-INIZCTEOSA-N 320.393 -0.146 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC(=O)N(C)C2)C1 1047640774 FTRCNXAHGHFNKO-IHRRRGAJSA-N 307.394 -0.618 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)Cc2cncn2C)C[C@@H]1O 1049394695 MTMQZWNDIBUUTQ-WXHSDQCUSA-N 319.365 -0.848 30 20 DBED C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1COCCN1C(C)=O 1049905837 BJKPUSBERZWPEI-ARFHVFGLSA-N 319.405 -0.068 30 20 DBED N#Cc1c[nH]c(C(=O)N2CCC[C@H]3CN(CC(N)=O)C[C@H]32)c1 1050009196 NGRZNNAZHHAHLH-WCQYABFASA-N 301.350 -0.092 30 20 DBED N#CCN1CCC2(CC1)CN(C(=O)[C@H]1CCS(=O)(=O)N1)C2 1050758313 GIPLIAZOZGHSLE-LLVKDONJSA-N 312.395 -0.874 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2COCCN2C[C@@H](C)O)nc1 1051215323 VHXSBSYYZORMJZ-TZMCWYRMSA-N 303.362 -0.126 30 20 DBED N#Cc1nccnc1N1CC[C@H](NC(=O)c2cnon2)[C@H](O)C1 1051716892 BYFHPPMOCXACDF-GZMMTYOYSA-N 315.293 -0.899 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2cnn[nH]2)C[C@H]1C 1052922775 XXDYOCKWSCFAQU-GHMZBOCLSA-N 307.354 -0.168 30 20 DBED C#CCCN1CCC[C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)CC1 1052946512 VBLIQVXBLRMIKF-CHWSQXEVSA-N 313.423 -0.328 30 20 DBED C[C@H](C#N)C(=O)N1CCOC2(CN(Cc3cn(C)nn3)C2)C1 1053190764 DOHPBKVZUWFJIJ-LLVKDONJSA-N 304.354 -0.612 30 20 DBED C[C@H](C#N)C(=O)N1CCOC2(C1)CN([C@H](C)c1nncn1C)C2 1053192221 YKKASYGBOQCIJV-VXGBXAGGSA-N 318.381 -0.051 30 20 DBED C#CCN1CC2(C1)CN(C(=O)CN1CCCCC1=O)CCO2 1053326197 WLOGZYOYTJQSEZ-UHFFFAOYSA-N 305.378 -0.455 30 20 DBED C=C(C)CN1CC2(CC[C@@H](CNC(=O)[C@H]3CN(C)C(=O)N3)O2)C1 1053634520 VKCPEGCSATVSQX-QWHCGFSZSA-N 322.409 -0.064 30 20 DBED C=CCOCC(=O)N1C[C@@H]2CN(C(=O)CNC(C)=O)C[C@@H]2C1 1055132289 GHCIZNPMEMTZOS-BETUJISGSA-N 309.366 -0.758 30 20 DBED N#Cc1nccc(N2C[C@H]3[C@H](NC(=O)Cn4cccn4)[C@H]3C2)n1 1056140993 MSSKBGCPECTGSU-HBYGRHMLSA-N 309.333 -0.204 30 20 DBED N#Cc1cccnc1N1C[C@H]2[C@H](NC(=O)[C@H]3CCC(=O)N3)[C@H]2C1 1056146375 FSRHUTHFUQBCLS-CZXHOFHRSA-N 311.345 -0.217 30 20 DBED CCn1nncc1C(=O)N[C@H]1[C@@H]2CN(c3cncc(C#N)n3)C[C@@H]21 1056203009 QNOGZSNEGGQTHI-YABSGUDNSA-N 324.348 -0.176 30 20 DBED Cc1cc(C#N)nc(N2C[C@H]3C(NC(=O)Cc4nc[nH]n4)[C@@H]3C2)n1 1056298392 WKNHCOOYHOVHMQ-GHMZBOCLSA-N 324.348 -0.432 30 20 DBED C=CCO[C@H](C)C(=O)N1CC[C@H]2[C@H]1CCCN2C(=O)C(N)=O 1056538574 WMYSYJLOZFMBIQ-UTUOFQBUSA-N 309.366 -0.345 30 20 DBED C#CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)c1ccnn1C 1057152458 FFNGETMHIDLFMZ-LBPRGKRZSA-N 322.365 -0.991 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)C[C@@H](C)OC 1057193592 KMYMZHNSOWPVKR-GFCCVEGCSA-N 302.371 -0.449 30 20 DBED C=CC(C)(C)CC(=O)NCCN(CCO)C(=O)Cn1nccn1 1057700916 RIGQWGHLTBCYID-UHFFFAOYSA-N 323.397 -0.183 30 20 DBED C=C(C)CCC(=O)N(CCO)CCNC(=O)CC(=O)NCC 1057804392 GGXOHDVIWDBBTP-UHFFFAOYSA-N 313.398 -0.194 30 20 DBED Cc1nnccc1C(=O)N(CCO)CCNC(=O)C#CC(C)C 1058201920 JRGKMJLQHWEJHP-UHFFFAOYSA-N 318.377 -0.005 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)C(C)(C)N1CCCC1 1058282506 FSTQNRKBBNZQIF-ZDUSSCGKSA-N 324.425 -0.042 30 20 DBED N#Cc1ccc(N2CC[C@H](NC(=O)[C@H]3COC(=O)N3)C2)nc1 1058350436 KWPBCDLYUWERRZ-WDEREUQCSA-N 301.306 -0.243 30 20 DBED Cc1nc(CC(=O)N[C@@H]2CCN(c3cnc(C#N)cn3)C2)n[nH]1 1058352083 KTWCKSSHFCSOHS-SNVBAGLBSA-N 312.337 -0.288 30 20 DBED N#Cc1cncc(N[C@H]2CCN(C(=O)[C@H]3COC(=O)N3)C2)n1 1058883817 WDAFGNKEGZABFI-WCBMZHEXSA-N 302.294 -0.531 30 20 DBED CN1CC[C@H](C(=O)N[C@H]2C[C@H](N=c3cc[nH]c(C#N)n3)C2)C1=O 1059376926 MYPKGZBKZRKPGZ-GMTAPVOTSA-N 314.349 -0.692 30 20 DBED C=CCOCCCC(=O)N1CC[C@@H](CCNC(=O)C(N)=O)C1 1059399099 NUWWPTQTMAWQIT-GFCCVEGCSA-N 311.382 -0.191 30 20 DBED N#Cc1nccnc1NC[C@@H]1CCN(C(=O)Cn2nccn2)C1 1060925098 BWKRDWOGCZSWFC-NSHDSACASA-N 312.337 -0.100 30 20 DBED COCCC(=O)NC[C@@H]1COCCN1C(=O)c1c[nH]c(C#N)c1 1061160563 LKVCPEPHJXSXGY-CYBMUJFWSA-N 320.349 -0.120 30 20 DBED C=CCO[C@H](C)C(=O)N1CCOC[C@H]1CNC(=O)c1cn[nH]c1 1061347151 YFOQUIIHNPGUBC-DGCLKSJQSA-N 322.365 -0.042 30 20 DBED C=CCn1cccc1C(=O)N1CCOC[C@H]1CNC(=O)C(N)=O 1061838060 YHZOKYDKIMIPQO-LLVKDONJSA-N 320.349 -0.883 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H]1CCCCN1C(=O)COCC 1061983828 HXLGNHSPUGCRSO-CYBMUJFWSA-N 323.393 -0.340 30 20 DBED Cn1ncc(C(=O)N[C@H]2[C@H]3C[C@H]2N(c2ccnc(C#N)n2)C3)c1N 1064245133 KLRQSIXCZXPQPW-PLMOITTCSA-N 324.348 -0.329 30 20 DBED Cc1cc(C#N)nc(N2[C@H]3CCC[C@H]2CN(C(=O)C(N)=O)C3)n1 1064535341 QHJSGLSBDQKKBO-RYUDHWBXSA-N 314.349 -0.288 30 20 DBED COCCC(=O)N1CCO[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 1064706828 YIVQAVMOWNBFAI-GFCCVEGCSA-N 320.349 -0.120 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CN(C(=O)c2cncn2C)CCO1 1065314758 YQDPOXRVWHEFQM-QWRGUYRKSA-N 305.338 -0.463 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CN(C(=O)CCn2ccnc2)CCO1 1065387322 AXSXIBPJLLWCPH-OLZOCXBDSA-N 319.365 -0.224 30 20 DBED CCNC(=O)CCC(=O)NC[C@@H]1CN(C(=O)[C@@H](C)C#N)CCO1 1065557999 XSDMGWFWABVWEB-NWDGAFQWSA-N 324.381 -0.594 30 20 DBED C[C@H]1CN(C(=O)Cn2cnnn2)C[C@H]1Nc1ccc(C#N)cn1 1067042705 VQLKFZJVXNTISZ-CMPLNLGQSA-N 312.337 -0.101 30 20 DBED C[C@H]1CN(C(=O)Cn2cncn2)C[C@H]1N=c1cc[nH]c(C#N)n1 1067098854 QSADQUJEFDZSIM-WDEREUQCSA-N 312.337 -0.679 30 20 DBED N#Cc1cnc(N2C[C@H](O)[C@H](CNC(=O)c3cc[nH]n3)C2)cn1 1067651441 LVNJIUWZXPXTQD-SKDRFNHKSA-N 313.321 -0.702 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCCN(C)C(=O)[C@@H]1CCCN1C(N)=O 1067718258 YVFXHBPJTNKFBP-RYUDHWBXSA-N 323.397 -0.004 30 20 DBED C=CCC(C)(C)C(=O)N1CC2(CC[C@H](CNC(=O)C(N)=O)O2)C1 1068617908 KCLPMCIRBGPZGS-LLVKDONJSA-N 323.393 -0.050 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1COC2(C1)CN(C(=O)c1cnon1)C2 1069003186 KSOMGQCUCYANED-RKDXNWHRSA-N 305.294 -0.671 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1COC2(C1)CN(C(=O)c1cn(C)nn1)C2 1069003989 REWZLZDAHSUBGG-VHSXEESVSA-N 318.337 -0.926 30 20 DBED C[C@@H]1C[C@H](Nc2ccc(C#N)nn2)CN1C(=O)Cn1ncnn1 1069151599 HNIFVNCAGJXSOC-KOLCDFICSA-N 313.325 -0.564 30 20 DBED C[C@@]1(C(=O)N[C@@H]2CN(CC#N)C[C@@H]2n2ccnn2)CCCOC1 1070065870 HZUWUCOANIQLJE-VNHYZAJKSA-N 318.381 -0.040 30 20 DBED Cn1cncc1[C@@H]1CN(C(=O)[C@@]23COC[C@@H]2C3)C[C@H]1NCC#N 1070650195 MXKNHZOWUHEUBF-VLXAULBPSA-N 315.377 -0.136 30 20 DBED C=CCN1C[C@H]2C[C@H]3CN(C(=O)C4CN(C(C)=O)C4)C[C@@]3(C1)O2 1070791327 BYCGXJHKQNMYEX-ZMSDIMECSA-N 319.405 -0.048 30 20 DBED Cn1nnc(C(=O)N2CCC[C@@H](NC(=O)C#CC3CC3)C2)n1 1071106979 DXUPHFKCROQLEO-LLVKDONJSA-N 302.338 -0.656 30 20 DBED C#CCCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)CC(=O)NCC#C)C1 1072000228 SXMMBWHMPOJEIG-KGLIPLIRSA-N 317.389 -0.108 30 20 DBED C=CCCOCC(=O)N[C@H]1CN(C(=O)Cn2cncn2)C[C@@H]1C 1072773652 UKBYZHMNHQDIJP-STQMWFEESA-N 321.381 -0.166 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)c3n[nH]c(C)c3O)C[C@H]21 1074219507 QMFTXVGOEBCBHH-NEPJUHHUSA-N 304.350 -0.028 30 20 DBED C#CCCN1CCO[C@@H]2CCN(C(=O)c3ncn(C)n3)C[C@@H]21 1074224957 AWPCGFGODYMLAV-QWHCGFSZSA-N 303.366 -0.246 30 20 DBED C=CCCC(=O)N[C@@H](C)CCNC(=O)CNS(=O)(=O)CC 1076886399 JMUDBRBARIBEPE-NSHDSACASA-N 319.427 -0.097 30 20 DBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(CCCO)C[C@H]1O 1077811861 ODLSTDPAUKZTNF-YJNKXOJESA-N 312.410 -0.099 30 20 DBED C#CCOCCC(=O)N1CC(N(CC)C(=O)C2=COCCO2)C1 1079248877 NHHNWROEDKINDA-UHFFFAOYSA-N 322.361 -0.026 30 20 DBED C=CCOCC(=O)N(CC)C1CN(C(=O)[C@@]2(C)CNC(=O)C2)C1 1079494252 XPOXDSADHOKCCM-MRXNPFEDSA-N 323.393 -0.226 30 20 DBED CCN(C(=O)C#CC1CC1)C1CN(C(=O)[C@H](C)CC(N)=O)C1 1079742697 ICIGPBJPEACUBA-LLVKDONJSA-N 305.378 -0.029 30 20 DBED C=C[C@@](C)(O)CC(=O)NC1(CO)CCN(C(=O)[C@H](C)C#N)CC1 1080836263 ZEPLGTUEQGRRDS-IUODEOHRSA-N 323.393 -0.057 30 20 DBED C=CCCC(=O)N1C[C@H](CNC(=O)COCCOC)[C@@H](O)C1 1081352723 XITFHKFKXOQIRE-STQMWFEESA-N 314.382 -0.449 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(C(=O)c2ccc[nH]2)C[C@H]1O 1081468361 IUWFOLDQHSUPFP-GXTWGEPZSA-N 301.346 -0.023 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CCN(CCN3C(=O)CNC3=O)C[C@H]21 1084232879 LJJUTNMJZSUPBS-IJLUTSLNSA-N 319.365 -0.769 30 20 DBED N#CCN1CC[C@@H]2CN(C(=O)[C@@H]3CCCN3C(N)=O)C[C@@H]2C1 1088220756 STLQROXVEPBKFS-AGIUHOORSA-N 305.382 -0.167 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cn(C)c(C)cc2=O)[C@@H](O)C1 1090342093 NVEFPLTXEVCZJA-ZFWWWQNUSA-N 303.362 -0.508 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cccc(C(N)=O)c2)[C@@H](O)C1 1090366370 ZOHJXCZSDGZPBL-KBPBESRZSA-N 301.346 -0.416 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2cc3n(n2)CCCO3)[C@@H](O)C1 1090425177 MBIJIMOSNHMMQT-JSGCOSHPSA-N 318.377 -0.146 30 20 DBED C#CCCN1CC[C@H](NC(=O)Cn2nnnc2C(C)C)[C@@H](O)C1 1090634010 SGKWPQPATQHDHB-STQMWFEESA-N 320.397 -0.629 30 20 DBED N#Cc1cncc(N2C[C@@H]3C(NC(=O)CCn4ccnn4)[C@H]3C2)n1 1093261459 VPPBBMCVOAFMJS-RYUDHWBXSA-N 324.348 -0.419 30 20 DBED C[C@H](CN1CCOCC1)C(=O)NCCNc1nccnc1C#N 1093643817 ZONZSMFWPFKQRW-GFCCVEGCSA-N 318.381 -0.155 30 20 DBED Cc1ccc(C#N)c(NCCNC(=O)Cn2c(O)nnc2O)n1 1093779460 LMTONVPBEDGIOA-UHFFFAOYSA-N 317.309 -0.507 30 20 DBED C=CCCN1CC(n2cc(CNC(=O)[C@H]3COC(=O)N3)nn2)C1 1094287153 DKBQJEZHXKIHTN-GFCCVEGCSA-N 320.353 -0.565 30 20 DBED Cc1ccc(C(=O)NCc2cn(C3CN(CC#N)C3)nn2)nn1 1094289347 GBTUFPFAIPEIHB-UHFFFAOYSA-N 312.337 -0.313 30 20 DBED N#Cc1nc(=NCCCNC(=O)C(=O)NCC(F)F)cc[nH]1 1094658880 VZLBCZIVCVIRFB-UHFFFAOYSA-N 312.280 -0.930 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)c3cccn3C)CC2=O)C1 1094706414 BLGSGSHEIGHQOB-GFCCVEGCSA-N 300.362 -0.327 30 20 DBED C#CCCN1CC(N2C[C@H](NC(=O)Cc3ccon3)CC2=O)C1 1094713553 CVCCMGSJYGJECM-CYBMUJFWSA-N 316.361 -0.358 30 20 DBED N#CCN1CC(N2C[C@H](NC(=O)[C@H]3CCCOCC3)CC2=O)C1 1094733847 OJESMMQQOBZSDB-QWHCGFSZSA-N 320.393 -0.272 30 20 DBED C#CCCN1CC(N2C[C@H](NC(=O)c3ccnnc3)CC2=O)C1 1094789276 YVXZPBMUFGWNLA-CYBMUJFWSA-N 313.361 -0.485 30 20 DBED CC#CCN1CC(N2C[C@H](NC(=O)c3ccn(C)n3)CC2=O)C1 1094814230 CGUHLUTZMMDVHJ-GFCCVEGCSA-N 315.377 -0.542 30 20 DBED CC(=O)N(C)CC(=O)N1CC[C@@H](N(C)c2cnc(C#N)cn2)C1 1095108737 ISESNEMIFXINLH-CYBMUJFWSA-N 316.365 -0.136 30 20 DBED C[C@H](NC(N)=O)C(=O)N1CCC[C@@H](Nc2nccnc2C#N)C1 1095291183 VACKUOLGXSJHBH-VHSXEESVSA-N 317.353 -0.192 30 20 DBED CS(=O)(=O)CCC(=O)N[C@H]1CCN(c2ccnc(C#N)n2)C1 1096502890 WYMYGAZANZZZQU-JTQLQIEISA-N 323.378 -0.522 30 20 DBED N#Cc1nccnc1N[C@H](CNC(=O)[C@@H]1COC(=O)N1)C1CC1 1096660703 YNQCEGOQWUOILM-MNOVXSKESA-N 316.321 -0.237 30 20 DBED N#Cc1nc(=N[C@H]2C[C@H](NC(=O)CCCC(N)=O)C2)cc[nH]1 1097041285 PDUSGXHFZNYIFG-MGCOHNPYSA-N 302.338 -0.515 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CCCS1(=O)=O)N=c1cc[nH]cc1C#N 1097882463 CYMYLJFSHXSCQS-GWCFXTLKSA-N 322.390 -0.131 30 20 DBED CNC(=O)C1(C(=O)NC[C@@H](C)Nc2cncc(C#N)n2)CC1 1097939080 CAUVHANMPNBTHA-SECBINFHSA-N 302.338 -0.209 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)Nc1nccnc1C#N 1098213055 BCSMBWPKHQRXSO-WPRPVWTQSA-N 303.326 -0.712 30 20 DBED COCC(=O)N(C)CC(=O)NC[C@@H](C)Nc1nccnc1C#N 1098329029 BEDYBCOQXXTKLP-SNVBAGLBSA-N 320.353 -0.630 30 20 DBED Cn1cnc(C(=O)N2CC[C@@H](n3cc(CNCC#N)nn3)C2)c1 1098654715 BJRGCAWJMROMNS-GFCCVEGCSA-N 314.353 -0.288 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)CC2CCCC2)[C@H](O)C1 1099631567 XFCLRJYGOCHEPY-HUUCEWRRSA-N 321.421 -0.133 30 20 DBED Cc1cc(=N[C@@H](C)CCNC(=O)[C@H]2CNC(=O)N2)c(C#N)c[nH]1 1099682936 RUAHKTPUKPMXJS-TVQRCGJNSA-N 316.365 -0.328 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)c2cc(C)co2)[C@H](O)C1 1099949978 XCJURPOZODOOTQ-QWHCGFSZSA-N 319.361 -0.498 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)CN2CCCC2)[C@@H](O)C1 1100109480 GEGLRCYVTOJMSH-CABCVRRESA-N 311.426 -0.164 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)Cc2cncs2)C1 1100428925 SHUIFPUFQJMMGX-UHFFFAOYSA-N 320.418 -0.081 30 20 DBED CCN(CCNC(=O)CCn1cncn1)c1cncc(C#N)n1 1100474852 NOFPHSYBBJWXIW-UHFFFAOYSA-N 314.353 -0.027 30 20 DBED CCCN(CCNC(=O)[C@H]1CCNC1=O)c1ccc(C#N)nn1 1101220974 YVLRBYRHGTZJSL-LBPRGKRZSA-N 316.365 -0.183 30 20 DBED COCC(=O)NCCC(=O)N(C)CCNc1ncccc1C#N 1102004269 JSSBEGCXXMLPLA-UHFFFAOYSA-N 319.365 -0.024 30 20 DBED CC(=O)N(C)CC(=O)N(C)[C@H]1CCN(c2cncc(C#N)n2)C1 1102671003 BAKMMCVVMSPANY-ZDUSSCGKSA-N 316.365 -0.136 30 20 DBED N#Cc1nccnc1N1CCC[C@@H]1CCNC(=O)CC(N)=O 1103738399 KYCUBZBAFNNCPU-SNVBAGLBSA-N 302.338 -0.301 30 20 DBED C[C@H](CN=c1cc[nH]cc1C#N)N(C)C(=O)Cn1cnnn1 1104447917 RAEQYQIBZDQLKW-SNVBAGLBSA-N 300.326 -0.679 30 20 DBED CC(C)[C@H](CNC(=O)Cn1ncnn1)N=c1cc[nH]cc1C#N 1105235239 XBPGNSGRDNLIRF-ZDUSSCGKSA-N 314.353 -0.385 30 20 DBED C=C[C@H](C)[C@@H](C)C(=O)N1CC(n2cc(CNCC(N)=O)nn2)C1 1105305942 UTTCOHVDQISLDF-WDEREUQCSA-N 320.397 -0.306 30 20 DBED N#CCNCc1cn(C2CN(C(=O)Cc3ncc[nH]3)C2)nn1 1105349032 BVPKVGDBLWEKFV-UHFFFAOYSA-N 300.326 -0.760 30 20 DBED Cc1ncncc1C(=O)NC[C@H](O)CN=c1cc[nH]cc1C#N 1105723072 GSJPVVFAVSLIHV-GFCCVEGCSA-N 312.333 -0.324 30 20 DBED Cc1c(C(=O)NC[C@@H](O)CN=c2cc[nH]cc2C#N)cnn1C 1105751355 GFKOGSICAYQEBP-LBPRGKRZSA-N 314.349 -0.380 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@@H]1CN(C(=O)CCOC)C[C@H]1C 1105753148 LADSDMAKQRJIIF-HZSPNIEDSA-N 309.410 -0.155 30 20 DBED Cc1cc(C#N)nc(NC[C@H](O)CNC(=O)c2cncnc2)n1 1105803165 WHJDIRGRMCOAAD-GFCCVEGCSA-N 313.321 -0.351 30 20 DBED N#Cc1cccnc1NC[C@@H](O)CNC(=O)Cc1nc[nH]n1 1105957322 CLRCCAMKKCUUSE-JTQLQIEISA-N 301.310 -0.797 30 20 DBED C[C@H]1CCCN1CC(=O)NC[C@H](O)CNc1ccc(C#N)nn1 1106107782 DPAYQAWKDIVZMZ-WCQYABFASA-N 318.381 -0.278 30 20 DBED C=C(C)CCN1CCO[C@@](C)(CNC(=O)c2nnn(C)n2)C1 1108136959 VYSGIDCYAVQGID-AWEZNQCLSA-N 308.386 -0.003 30 20 DBED CC#CCN1CCO[C@@](C)(CNC(=O)C2CC(=O)NC(=O)C2)C1 1108277930 BOGMQBMVMVDSGM-INIZCTEOSA-N 321.377 -0.730 30 20 DBED C[C@@]1(CNC(=O)[C@@H]2CCCS2(=O)=O)CN(CC#N)CCO1 1108408717 JRMXQQINTWWFFR-WCQYABFASA-N 315.395 -0.706 30 20 DBED N#CCN1CC(N2C[C@@H](NC(=O)CC[C@@H]3CCCO3)CC2=O)C1 1108506736 YVHHACHULCRXFY-JSGCOSHPSA-N 320.393 -0.130 30 20 DBED COCC[C@H](C)C(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1 1108591102 STXKDPIDMZEUNV-NWDGAFQWSA-N 308.382 -0.416 30 20 DBED C[C@@H](CNc1ccc(C#N)nc1)NC(=O)CN1CCOCC1=O 1108753816 MDKDISRBUCQOEH-NSHDSACASA-N 317.349 -0.271 30 20 DBED C[C@H](NC(N)=O)C(=O)N(C)CCCNc1nccnc1C#N 1109422551 WEJANBOMAMKIPC-VIFPVBQESA-N 305.342 -0.335 30 20 DBED CN(CCCNc1cnc(C#N)cn1)C(=O)Cn1nccn1 1109539215 PZFQNKFHAUBBIW-UHFFFAOYSA-N 300.326 -0.100 30 20 DBED CC(=O)N(C)CC(=O)N[C@@H]1[C@H]2C[C@H]1N(c1ccnc(C#N)n1)C2 1109682942 UCNTUVFDOCUTQW-FIXISWKDSA-N 314.349 -0.480 30 20 DBED COC(=O)NCC(=O)NCC1(Nc2cncc(C#N)n2)CC1 1110066221 BETRMVJTCVHRNQ-UHFFFAOYSA-N 304.310 -0.235 30 20 DBED CCNC(=O)CC(=O)NCC1(Nc2cnc(C#N)cn2)CC1 1110105602 JRNVQXUJNYDUCX-UHFFFAOYSA-N 302.338 -0.065 30 20 DBED N#Cc1nccnc1NC1(CNC(=O)[C@H]2CCNC2=O)CC1 1110301620 LEWFCKNWFWFJNV-VIFPVBQESA-N 300.322 -0.455 30 20 DBED N#Cc1nccnc1NC1(CNC(=O)[C@@H]2CCC(=O)NC2)CC1 1110402571 SWTMLBDUGMBDIX-SNVBAGLBSA-N 314.349 -0.065 30 20 DBED C[C@H]1C[C@@H](Nc2nccnc2C#N)CCN1C(=O)CNC(N)=O 1110507820 RPXFVVIPVCPEKB-UWVGGRQHSA-N 317.353 -0.192 30 20 DBED C#CCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2[C@@H]1CCNC1=O 1110553261 FSDBVGWGEWQBGX-YIYPIFLZSA-N 305.378 -0.364 30 20 DBED CC(=O)N[C@H](C)C(=O)N[C@@]1(C)CCN(c2cncc(C#N)n2)C1 1110716982 MYLYLGRMPFJKBW-BMIGLBTASA-N 316.365 -0.042 30 20 DBED N#Cc1cncc(N2CC[C@](O)(CNC(=O)c3cocn3)C2)n1 1111039211 BFDBQFYWTXJAOQ-AWEZNQCLSA-N 314.305 -0.293 30 20 DBED C=CCOCC(=O)N(C)[C@H]1CN(c2nccnc2F)C[C@@H]1O 1111175700 PTZRFJRYBNJPFR-QWRGUYRKSA-N 310.329 -0.174 30 20 DBED CN(C)C(=O)CC(=O)N(CCO)CCNc1ccc(C#N)nc1 1111572865 IPKOUICWAUPSBT-UHFFFAOYSA-N 319.365 -0.336 30 20 DBED C[C@H]1OCCC[C@H]1C(=O)N1CCN(CC(=O)NCC#N)CC1 1112802809 BWXSCNVPJYSSRD-CHWSQXEVSA-N 308.382 -0.415 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)C[C@@](C)(O)C=C)CC1 1112804526 MOLQRPLWBOIQBD-CJNGLKHVSA-N 307.394 -0.404 30 20 DBED CNC(=O)NCCC(=O)N[C@H](C)[C@H](C)Nc1cncc(C#N)n1 1113001047 IAQXWGFXTLDFAX-VHSXEESVSA-N 319.369 -0.028 30 20 DBED C[C@H](N=c1cc[nH]c(C#N)n1)[C@H](C)NC(=O)C(C)(C)C(N)=O 1113187717 DWBVRILEGQRZOS-IUCAKERBSA-N 304.354 -0.413 30 20 DBED N#CCNC(=O)CN1C[C@H]2C(NC(=O)/C=C\c3ccc[nH]3)[C@@H]2C1 1114183904 HJZWWHVVNJJLNX-FGTRRKKMSA-N 313.361 -0.286 30 20 DBED C[C@H](NC(=O)c1ccoc1)C(=O)NC1[C@H]2CN(CC#N)C[C@H]12 1114322399 YYCFRJDPOAUGSC-DLOVCJGASA-N 302.334 -0.032 30 20 DBED C#CCCN1C[C@H]2C(NC(=O)CCn3ncn(C)c3=O)[C@@H]2C1 1114618312 AXXJACDCVZFECO-VXGBXAGGSA-N 303.366 -0.958 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)c3csc(O)n3)[C@@H]2C1 1114713058 WBZHSGYVCLGNOG-RKDXNWHRSA-N 320.374 -0.742 30 20 DBED C#Cc1cncc(C(=O)N[C@H]2[C@@H]3CN(C[C@H](O)COC)C[C@@H]32)c1 1114807741 DZTCSWKCAWWUMK-CAOSSQGBSA-N 315.373 -0.270 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)CCCn3cncn3)[C@H]2C1 1115076975 QMTMQVUTBPGLNO-FOLVSLTJSA-N 317.393 -0.246 30 20 DBED C#CCN1CCC(C(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)CC1 1117532325 BUYAQCZQHYVLMU-HOTGVXAUSA-N 305.422 -0.001 30 20 DBED C#CCCOC(=O)NC1(C(=O)OC)CCS(=O)(=O)CC1 1118815167 JRVOHOYVUZLJQI-UHFFFAOYSA-N 303.336 -0.144 30 20 DBED CCN[C@H](C)CNC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1119350646 GFOAMDYHCKWMEL-DGCLKSJQSA-N 307.398 -0.701 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)NC[C@H]2CCCCN2)CCN1C1CC1 1119351396 UAOJDJIAXRKSHH-OCCSQVGLSA-N 319.409 -0.557 30 20 DBED CCN(CC)CC(=O)NC[C@H](CO)Nc1ccc(C#N)nn1 1121658212 GVBQVPVCGXFXLW-GFCCVEGCSA-N 306.370 -0.421 30 20 DBED C=C(C)Cn1c(-c2ncnn2C)nnc1N1CCNC(=O)C1 1122469212 VUAKPZIFDRFJJG-UHFFFAOYSA-N 302.342 -0.414 30 20 DBED Cc1nn(CC(=O)[C@@H](C#N)C(=O)c2nccn2C)c(=O)n1C 1122652740 NEUZOMOPFLTUGR-SECBINFHSA-N 302.294 -0.785 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)c1cnc(C)cn1 1122921556 FCDMTICZTSKPRJ-UHFFFAOYSA-N 320.353 -0.884 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)[C@@H]1CC1(F)F 1126764497 KJMOGSFACHISMT-QMMMGPOBSA-N 304.297 -0.641 30 20 DBED COCC(=O)N[C@H](C)C(=O)NCCNCc1ccc(C#N)cc1 1127966541 BBAIXZNWFREFLE-GFCCVEGCSA-N 318.377 -0.085 30 20 DBED CC#CCN[C@@H]1CN(C(=O)c2cncn2C)C[C@@H]1n1ccnn1 1129925214 UAKHXVOWXMUSGP-OCCSQVGLSA-N 313.365 -0.310 30 20 DBED C#CCN1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H](C)NC(C)=O)C1 1130342541 LSQDFBBEDQSDKS-DGCLKSJQSA-N 317.393 -0.027 30 20 DBED C=CCOCC(=O)N1C[C@H]2C[C@@H]3CN(C[C@H](C)O)C[C@]2(C1)O3 1131213472 FTGJSNUOBXYVLP-DSJMHWKBSA-N 310.394 -0.129 30 20 DBED COCC#CCN1C[C@H](NC(=O)Cn2ncnn2)CC[C@H]1C 1132041779 KLEHJJURSJJSAG-CHWSQXEVSA-N 306.370 -0.708 30 20 DBED CC(C)NC(=O)CN(C)CC(=O)N[C@H]1CC[C@H](C)N(CC#N)C1 1132160729 QPOYADYZMRORQH-KBPBESRZSA-N 323.441 -0.065 30 20 DBED C[C@H](C[C@@H](C)NC(=O)C1=CCOCC1)NCC(=O)NCC#N 1134159720 DBDFRPSTBPSWED-VXGBXAGGSA-N 308.382 -0.154 30 20 DBED C=CCCN[C@H](C)C[C@@H](C)NC(=O)Cn1ccc(=O)n(C)c1=O 1134541469 RCSZTYBXAZCOGU-CHWSQXEVSA-N 322.409 -0.004 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)c1cnn(C)n1 1135671819 XTROKSNHNJZMRM-WDEREUQCSA-N 306.370 -0.949 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)c2cnn3cc[nH]c23)C1=O 1149042096 IIXZJCBCXFBMJQ-GFCCVEGCSA-N 316.365 -0.231 30 20 DBED CCn1cc(CC(=O)NC[C@H]2CN(CC#N)CCCO2)nn1 1150012486 KPDDQFYPSFBRKP-ZDUSSCGKSA-N 306.370 -0.429 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)c1cccnn1 1155968172 PDCRVBSDWNEWRU-LLVKDONJSA-N 304.354 -0.443 30 20 DBED C#Cc1ccc(C(=O)NCCCN[C@@H](C)C(=O)NC(N)=O)cn1 1171601286 VXGSHJQVKFFSDF-JTQLQIEISA-N 317.349 -0.644 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)CN2CCCC2=O)C1 1180870533 GMOKZXLDCZGCQQ-GFCCVEGCSA-N 308.382 -0.899 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2ncn(C)n2)C1 1182330023 XMABZZBLTGMXHO-GHMZBOCLSA-N 306.370 -0.690 30 20 DBED C[C@H]1CN(C(=O)COCc2nncn2C)CC[C@@H]1CNCC#N 1185423696 OAPVOSXNKQBYFB-QWHCGFSZSA-N 320.397 -0.071 30 20 DBED C=CCOCC(=O)N1CC[C@H](N(C)CCN2C(=O)CNC2=O)C1 1189364122 QNOCPFKKXQRJLO-LBPRGKRZSA-N 324.381 -0.727 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)[C@H]2CN(C)CCO2)C1 1189515959 DKGDOOZMIKJIDQ-ZIAGYGMSSA-N 324.425 -0.848 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)CCSC)C1 1190930532 VSBNRELXIMONIJ-QJPTWQEYSA-N 315.439 -0.409 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2cn(C)nc2C)C[C@H]1O 1192891916 RXWPPOAJCHLJON-NWANDNLSSA-N 320.393 -0.572 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)C(C)(C)S(C)(=O)=O)C1 1196576181 KWNMFJHMSIOMDI-GHMZBOCLSA-N 304.412 -0.453 30 20 DBED C[C@@H]1CN(C)C[C@H]1C(=O)N1CCCN(CC(=O)NCC#N)CC1 1197158508 RADCILJXUBBALC-ZIAGYGMSSA-N 321.425 -0.642 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)Cn2ccc(C)n2)CC1 1197180412 LRHCKXWIBRWFDY-UHFFFAOYSA-N 317.393 -0.525 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)c2nn(CC)nc2C)C1 1199489921 QAILZBWJRFETLP-CHWSQXEVSA-N 323.397 -0.416 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC23CCOCC3)C1 1199575563 XDKWTVIDCPXHGS-RRFJBIMHSA-N 322.405 -0.386 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)[C@@H]2CN(C)CCO2)CCCO1 1200180657 AWGIFEALYMHYNI-CABCVRRESA-N 309.410 -0.453 30 20 DBED C#CCCNC[C@H]1CN(C(=O)C2CS(=O)(=O)C2)CCCO1 1200582835 MQPCPZXNHABYIB-ZDUSSCGKSA-N 314.407 -0.739 30 20 DBED COCC#CCN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)c1nnn(C)n1)C2 1204645392 JMTUKPJFQPQCEL-JHJVBQTASA-N 318.381 -0.557 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2ncnn2C)C[C@H]1C 1206963399 CMKUEHCUGYRBBE-JHJVBQTASA-N 305.382 -0.210 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCC[C@@H](NCc2nnnn2C)C1 1207951068 QEAZPBAHGCIMPN-RISCZKNCSA-N 308.386 -0.382 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)c2nonc2C)[C@H](C)C1 1211462926 IPJJRKBFJLIHRU-ADEWGFFLSA-N 319.365 -0.434 30 20 DBED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)c1coc(C)c1 1212165612 FMZQADQZJGOSKO-CHWSQXEVSA-N 320.349 -0.343 30 20 DBED C#CCCN1C[C@@H](NC(=O)[C@]2(CC)CCNC2=O)[C@H](OC)C1 1212428406 ZMXRAILZULDPJX-XJKCOSOUSA-N 307.394 -0.259 30 20 DBED CCC[C@H](C(=O)N1C[C@@H](NCC#N)[C@H](C)C1)S(N)(=O)=O 1215224892 ZKAJGWCTANYLHS-GMTAPVOTSA-N 302.400 -0.596 30 20 DBED C=CCC[C@@H](C)N1C[C@H](O)[C@H](NC(=O)CS(C)(=O)=O)C1 1219302196 FFCQMDLKVAFZCD-UTUOFQBUSA-N 304.412 -0.453 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1CN([C@@H]2CCCN(C)C2=O)C[C@@H]1O 1220141584 ZHJRPBYQOANVQT-UPJWGTAASA-N 309.410 -0.019 30 20 DBED C=CCN1CCC(CNC(=O)[C@@H](C)NS(C)(=O)=O)CC1 1224656872 LWACHRCIWMDNOJ-LLVKDONJSA-N 303.428 -0.062 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC(NC(=O)Cc2cnoc2)CC1 1228818554 CRPKYEHAYHPEKW-LBPRGKRZSA-N 318.377 -0.064 30 20 DBED C#CCCN[C@@H]1CCCC[C@H]1NC(=O)Cn1nc(C)n(C)c1=O 1230010730 PSDHTJTZQHNMRX-ZIAGYGMSSA-N 319.409 -0.069 30 20 DBED C=CCN1CCS(=O)(=O)[C@@H](CCNC(=O)c2cnn[nH]2)C1 1230474024 ROKZLZCJZFMUJN-JTQLQIEISA-N 313.383 -0.790 30 20 DBED C[C@@H](C#N)C(=O)N(C)C[C@H]1CCN1CCNS(C)(=O)=O 1231293352 MGWPIVPXPHNFEO-WDEREUQCSA-N 302.400 -0.772 30 20 DBED COCC#CCN1CC[C@@H]1CN(C)C(=O)c1nnn(C)c1C 1231349954 OKDPZUPTQZBBII-CYBMUJFWSA-N 305.382 -0.080 30 20 DBED C=CCOCC(=O)NCCCN(C)[C@H](C)C(=O)NC(=O)NC 1235683411 JDGZWZGSBQNLKC-LLVKDONJSA-N 314.386 -0.529 30 20 DBED C#CCN(Cc1nc2c(=O)n(C)c(=O)n(C)c2[nH]1)CC1CC1 1254088252 SUOHCYWPTSZSGK-UHFFFAOYSA-N 301.350 -0.195 30 20 DBED C=C[C@@H](COC)NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1 1320294555 NYDPHQOPOFHKNI-VIFPVBQESA-N 320.392 -0.187 30 20 DBED C=C[C@@H](COC)NC(=O)N1CCC[C@H](S(=O)(=O)NC)C1 1320299991 AAWLGMFOZYDBTR-QWRGUYRKSA-N 305.400 -0.089 30 20 DBED C=C(C)CN(CC)C(=O)C(=O)NCCS(=O)(=O)NCC 1322644819 KQRCOSNCFCMTJF-UHFFFAOYSA-N 305.400 -0.534 30 20 DBED CN(C)S(=O)(=O)c1cc(C(=O)N(CC#N)CC#N)n(C)c1 1325024262 VICDLVSKOBBDHW-UHFFFAOYSA-N 309.351 -0.235 30 20 DBED C#C[C@H](NC(=O)C(=O)NCc1nnc(C)n1C)[C@H]1CCCO1 1325998568 DPOBSFHGKOQLRN-WDEREUQCSA-N 305.338 -0.963 30 20 DBED C[C@]1(CCCC(=O)N[C@H]2CCCN(O)C2=O)NC(=O)NC1=O 1326407581 UACURZBPCMBJRV-ISVAXAHUSA-N 312.326 -0.749 30 20 DBED C#C[C@@H](NC(=O)C(=O)Nc1cc(C)n(CC(=O)NC)n1)C(C)C 1327028876 GJHCCLARYNHSHO-LLVKDONJSA-N 319.365 -0.350 30 20 DBED C#C[C@@H](NC(=O)C(=O)N1C[C@H](OC)[C@H](OC)C1)[C@@H]1CCCO1 1327259710 UWWBROIJMDMOSU-XQHKEYJVSA-N 310.350 -0.844 30 20 DBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H]1CCN(CC)C1=O 1329957385 JXMACMITGUAPCE-XQQFMLRXSA-N 323.393 -0.179 30 20 DBED C#CCOCCn1nnnc1N1CCC(OCCOC)CC1 1336016437 FEYUASHAOSDFLR-UHFFFAOYSA-N 309.370 -0.045 30 20 DBED C#CCOc1cccc(NC(=O)C(=O)NCc2nnn(C)n2)c1 1339409481 FZFDTLHGFRJSJU-UHFFFAOYSA-N 314.305 -0.523 30 20 DBED C#CCn1ccc(CN(CC)C(=O)c2cn(CC(N)=O)nn2)n1 1339503260 XPDDMXJJIXTIKG-UHFFFAOYSA-N 315.337 -0.745 30 20 DBED C=CC[C@H](NC(=O)[C@H](CO)NC(=O)C(C)C)C(=O)OCC 1343730697 DTXPFRYNSFWOKM-QWRGUYRKSA-N 300.355 -0.257 30 20 DBED O=C(C[C@@H]1CSCCN1)NCCN/C(O)=C1/N=CC=CC1=O 1346029877 UWTJCVLRCMIGPK-YAWLZAOSSA-N 324.406 -0.276 30 20 DBED CN1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@@](O)(CC#N)C3)C[C@@H]21 1349354377 FIIMFPFBQVWGNE-XUJVJEKNSA-N 306.366 -0.974 30 20 DBED N#Cc1ccc(C(=O)N2CCS(=O)(=O)[C@H]3COCC[C@H]32)nc1 1363248014 JKLNDSVPLVIWLJ-OLZOCXBDSA-N 321.358 -0.019 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N1CC[C@@H](c2nncn2C)C1 1365730545 QANLQQIBMIFMPH-GHMZBOCLSA-N 312.399 -0.059 30 20 DBED CCC(=O)NCC(=O)NCC1CN(C(=O)c2c[nH]c(C#N)c2)C1 1374809488 SCYUGSZQFRIBKC-UHFFFAOYSA-N 317.349 -0.399 30 20 DBED CCN(CCC#N)C(=O)CN(C)CCNC(=O)c1cc[nH]n1 1377134777 WOOOKNNDNMNLNO-UHFFFAOYSA-N 306.370 -0.167 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CN(C)C(=O)CC1OCCCO1 1382970078 QDFCZDYHNSESML-WDEREUQCSA-N 313.354 -0.765 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CN(C)C(=O)Cc1ccn(C)n1 1384220020 SVZJAWFGMFIKJB-JQWIXIFHSA-N 307.354 -0.942 30 20 DBED N#Cc1ccc(C(=O)NC[C@H](O)CNC(=O)c2ccncc2)[nH]1 1389048308 ULFQSLLVDCKLHU-GFCCVEGCSA-N 313.317 -0.198 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)CCc1cscn1 1399873462 ZERPKIFBINFKCT-ONGXEEELSA-N 310.379 -0.171 30 20 DBED N#Cc1ccc(CNC[C@H](O)CNC(=O)c2cnn[nH]2)c(F)c1 1401556602 IQEVYRFFSSGTFB-NSHDSACASA-N 318.312 -0.304 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C)[C@@H]1CCN(c2cnn(C)c2)C1=O 1403505691 IGNXDKNGIUOMSB-WCQYABFASA-N 318.381 -0.267 30 20 DBED CCN(CCC#N)C(=O)CN1CC[C@@](O)(CNC(=O)C(C)C)C1 1407324479 ISUFSCIAQRYWMA-MRXNPFEDSA-N 324.425 -0.042 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)[C@@H](C)CS(C)(=O)=O)CC1 1410800514 AXMNFNWZSFABFW-ZJUUUORDSA-N 315.395 -0.408 30 20 DBED COCC(=O)NC[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)CCCO1 1413743449 GQKMBXJYUSVGDB-GFCCVEGCSA-N 320.349 -0.120 30 20 DBED CNC(=O)NC1CCN(S(=O)(=O)N(C)C[C@@H](C)C#N)CC1 1414280374 AFUPZLOIOPHRTD-JTQLQIEISA-N 317.415 -0.284 30 20 DBED C[C@H](C#N)C(=O)NC1CCN(C(=O)[C@H]2CN(C)CCO2)CC1 1414659346 JJBGDJCHJQZATH-DGCLKSJQSA-N 308.382 -0.416 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C)C(=O)[C@H]1CCc2nnc(O)n2C1 1415595833 ACIYAFQRYSGKJW-UWVGGRQHSA-N 320.353 -0.720 30 20 DBED CCc1nnc(N2CCO[C@@H](C#N)C2)n1CCn1cncn1 1433346525 RENRZKGOSCAESW-NSHDSACASA-N 302.342 -0.139 30 20 DBED COC(=O)CNC(=O)[C@H]1CCCN1C(=O)c1ccc(C#N)n1C 1433531940 KWJYVZMSEAKUCN-LLVKDONJSA-N 318.333 -0.209 30 20 DBED Cc1cc(=O)c(C(=O)N(C)C[C@@H](O)CNC(=O)[C@@H](C)C#N)c[nH]1 1451928297 NVVOEIWRZQYQCE-ONGXEEELSA-N 320.349 -0.608 30 20 DBED C[C@@]1(C(=O)NC[C@H](O)CNC(=O)c2cc(C#N)c[nH]2)CCOC1 1452327978 JQOTYNGGLKNKKL-IAQYHMDHSA-N 320.349 -0.480 30 20 DBED COC(=O)C1(CNc2[nH]c(=O)n(C)c(=O)c2C#N)CCOCC1 1458311137 QNQQLNBZMBPJIX-UHFFFAOYSA-N 322.321 -0.673 30 20 DBED CC[C@H](C)NC(=O)[C@H](C)NC(=O)Cn1cc(C#N)c(O)nc1=O 1464643425 NPXWYNCYXPZWDM-IUCAKERBSA-N 321.337 -0.760 30 20 DBED N#CCC1(O)CN(CCC(=O)NC(=O)NCC(F)(F)F)C1 1473414664 SBJCLAWOGSLLIT-UHFFFAOYSA-N 308.260 -0.275 30 20 DBED CO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1NC(=O)CNC(=O)C1CC1 1489508211 PWNPISJOAMJFKA-MVWJERBFSA-N 322.365 -0.986 30 20 DBED C=C(Cl)CNC[C@H](O)CN(C)C(=O)[C@@H]1CCC(=O)N1C 1507497610 OETPILVMJYNZCQ-QWRGUYRKSA-N 303.790 -0.231 30 20 DBED C#CCN(C)c1nnc([C@]2(O)CCOC2)n1C[C@H]1CCOC1 1526344791 NWELUZDXKWGGOO-DOMZBBRYSA-N 306.366 -0.008 30 20 DBED C[C@@H](C(=O)NC1CCN(CC(=O)O)CC1)n1cnc(C#N)n1 1573365895 XYUGYFDFLIFAHK-VIFPVBQESA-N 306.326 -0.624 30 20 DBED CC(C)N1C[C@H](Nc2cnc(C#N)c(-c3nn[nH]n3)n2)CC1=O 1574287141 ZZQMGQDMIBZIFA-MRVPVSSYSA-N 313.325 -0.050 30 20 DBED CC(C)(C)C(=O)N1CCO[C@@H](C(=O)N2CCNC[C@@H]2C#N)C1 1575098540 GGLCCGZWAXVBMV-NWDGAFQWSA-N 308.382 -0.416 30 20 DBED CN(C(=O)[C@@H](C#N)Cc1ccc(-c2nn[nH]n2)cc1)c1nn[nH]n1 1578840059 UYGNAAIFRQKNSP-SNVBAGLBSA-N 324.308 -0.275 30 20 DBED C[C@H]1NCC[C@@H]1NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1579500717 NZXZSOHSKHTLPQ-MFKMUULPSA-N 322.390 -0.297 30 20 DBED C#CC1(O)CN([C@H](C(=O)OC)c2ccc(-c3nn[nH]n3)cc2)C1 1588333570 XHQWVPSRXAFXEN-LBPRGKRZSA-N 313.317 -0.239 30 20 DBED C#CCn1ccc(CN(CCOC)Cn2cc(C(=O)O)nn2)n1 1588511493 YGVUTEBUHAKFCX-UHFFFAOYSA-N 318.337 -0.088 30 20 DBED C=CCOCCNC(=O)C(=O)N1CC[C@@](OC)(C(=O)O)C1 1588868947 HEMKUDOHIYHXKU-ZDUSSCGKSA-N 300.311 -0.993 30 20 DBED C[C@H](CNC(=O)NCCN/C(O)=C1/N=CC=CC1=O)C(=O)O 1589055097 ODBHFROGIHHKLH-OZEWEUHLSA-N 310.310 -0.467 30 20 DBED COCCCNC(=O)[C@@H](C#N)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 1591416145 PQQROCLBRAYTDV-QMMMGPOBSA-N 317.309 -0.330 30 20 DBED C[C@]1(C(=O)O)CCCN(C(=O)C(=O)N2CCO[C@H](C#N)C2)C1 1593762768 SNGHRSBVPKBBOP-YGRLFVJLSA-N 309.322 -0.549 30 20 DBED N#CCN(CC(=O)O)C(=O)Cc1csc(-c2nc[nH]n2)n1 1601069003 CNDNKBWZDWUJDG-UHFFFAOYSA-N 306.307 -0.093 30 20 DBED C=C(C)C[C@@H](CO)NC(=O)NCCC(=O)NCCC(=O)O 1602750887 ZVESVFLEOQZSOQ-JTQLQIEISA-N 301.343 -0.406 30 20 DBED N#CCCNC(=O)CNc1ccc(C(=O)NCC(=O)O)cc1 1610621435 HYOBIONLIMDLJZ-UHFFFAOYSA-N 304.306 -0.057 30 20 DBED COCC#CCN1CCN(CCNC(=O)C2=COCCO2)CC1 1752361041 SMTPHLCKUSFHSZ-UHFFFAOYSA-N 323.393 -0.742 30 20 DBED COCC#CCNC[C@@H]1CCCN(C(=O)c2cn(C)nn2)C1 1752798333 XXHPOFIJLXMHMD-ZDUSSCGKSA-N 305.382 -0.093 30 20 DBED CCCN(C(=O)Cn1nc(C)n(C)c1=O)[C@H]1CCN(CC#N)C1 1753322113 FMAUFYNDCMNZLV-ZDUSSCGKSA-N 320.397 -0.273 30 20 DBED CN(CCN1CCN(CC#N)CC1)C(=O)CN1CCCCC1=O 1753341701 CNMUMPMXLQKVEC-UHFFFAOYSA-N 321.425 -0.402 30 20 DBED C#CCNC(=O)CNC[C@@H](C)CNC(=O)c1cnc(C)nc1C 1753634227 MRWDGXBCQNHTKJ-LLVKDONJSA-N 317.393 -0.202 30 20 DBED C#Cc1ccc(C(=O)N(C)[C@@H](C)CNCC(=O)NC(N)=O)cc1 1753706508 GLAUNORMYOIJRN-NSHDSACASA-N 316.361 -0.087 30 20 DBED C=CCN1CC[C@H](NC/C=C/CNC(=O)Cn2ccnc2)C1=O 1754213595 XDTGBFWROMUPER-XGACYXMMSA-N 317.393 -0.068 30 20 DBED C=C(C)CN1CC[C@@H]1CNC(=O)CNS(=O)(=O)N(C)C 1754495145 GGWBAUVSNGCIAP-LLVKDONJSA-N 304.416 -0.851 30 20 DBED CC(C)(C)C#CC(=O)N[C@]1(C)CCN(CC(=O)NC(N)=O)C1 1754671211 WLHGMXNMOKNMQP-OAHLLOKOSA-N 308.382 -0.189 30 20 DBED C#CCN1CCC[C@@](C)(CNC(=O)Cn2nc(C)n(C)c2=O)C1 1754733275 LFMMKEWOPRESPZ-INIZCTEOSA-N 319.409 -0.258 30 20 DBED C#CCNC(=O)CN[C@@H](C)[C@@H]1CCN(C(=O)c2ccnnc2)C1 1754798670 FWGORYVBZBQRSK-GXTWGEPZSA-N 315.377 -0.334 30 20 DBED C#CCCNCCN(CCO)C(=O)[C@H]1CCC[C@H](C(N)=O)C1 1754892896 DBHBZOYBULAIIN-KBPBESRZSA-N 309.410 -0.288 30 20 DBED CNC(=O)NC(=O)CNCC[C@@H]1CCN(C(=O)C#CC(C)C)C1 1754915503 WIRHFDUVRKPUDG-CYBMUJFWSA-N 322.409 -0.070 30 20 DBED C=CCNC(=O)CN[C@H](C)[C@@H](C)NC(=O)Cn1cc(C)cn1 1755226538 BUBXAQQCZFWDKX-CHWSQXEVSA-N 307.398 -0.023 30 20 DBED CCCC[C@@H](NC(N)=O)C(=O)NC1(CCO)CN(CC#N)C1 1755344495 LAEDNWRIEILPES-LLVKDONJSA-N 311.386 -0.710 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](CNC(=O)c3nc[nH]n3)[C@H]2C1 1755430031 NVBMNSVTEPCXSF-KKOKHZNYSA-N 318.381 -0.597 30 20 DBED N#CCNC(=O)CN1CCCC2(C1)CN(C(=O)[C@H]1CCCO1)C2 1755452335 NYOLWDUQQLXQIJ-CYBMUJFWSA-N 320.393 -0.270 30 20 DBED C=CCn1cc(C(=O)N(C)C[C@@H](C)NCc2cnn(C)n2)nn1 1755609393 WOXSJKRVFGREQU-LLVKDONJSA-N 318.385 -0.157 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](CO)NCc1nccc(C)n1 1755638848 FBDZBOAQOAADFV-MJBXVCDLSA-N 320.393 -0.057 30 20 DBED C[C@@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)c1cc(C#N)c[nH]1 1755650695 PSSHBVPWJOMLLP-PWSUYJOCSA-N 314.349 -0.281 30 20 DBED C=CCOCCN[C@H]1CN(C(=O)CNC(=O)NC)CC1(C)C 1755757458 NKUBBQPNWUBHQB-LBPRGKRZSA-N 312.414 -0.055 30 20 DBED COCC#CCN[C@H]1CN(C(=O)[C@H]2CN(C)C(=O)N2)CC1(C)C 1755760722 SRTMAWWEEXBJSK-OLZOCXBDSA-N 322.409 -0.514 30 20 DBED C=CCNC(=O)CN(C)C[C@@H](O)CN(C)C(=O)c1conc1C 1755805683 ZIIJDZOJNSUTCH-GFCCVEGCSA-N 324.381 -0.350 30 20 DBED C[C@H](CNC(=O)CSCC#N)N(C)C(=O)[C@H]1C[C@H]1C(N)=O 1756005633 KRNGIYZEVAGITA-BBBLOLIVSA-N 312.395 -0.672 30 20 DBED C[C@@H](C#N)C(=O)NCCOCCN(C)C(=O)c1cnnn1C 1756381994 WDBKQAMHQMCDFU-JTQLQIEISA-N 308.342 -0.820 30 20 DBED C[C@H](OCC1CC1)C(=O)NC[C@@H](CO)NC(=O)C#CC1CC1 1756507759 ILVNTWBHYMKTAH-FZMZJTMJSA-N 308.378 -0.192 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@H](CO)NC(=O)c1n[nH]c(C)c1C 1756515958 SDXYLNHKRTZJPN-ABAIWWIYSA-N 324.381 -0.439 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(C(=O)[C@H]2CCN(C)C2)C[C@H]1O 1756993904 UJGSGNVOJTXWKO-BFHYXJOUSA-N 307.394 -0.715 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@H](NC(=O)c2cc(OC)ncn2)C1 1757175914 IOSRNEPDXQJTAZ-NEPJUHHUSA-N 320.349 -0.247 30 20 DBED C=CCC1(C(=O)N[C@@H]2CN(C(=O)c3nc[nH]n3)C[C@@H]2O)CCC1 1757208853 WUOSJCAWVHGTSZ-MNOVXSKESA-N 319.365 -0.147 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H]1CN(C)C(=O)c1ccon1 1757275831 CHZZZMUMNGFHPB-NSHDSACASA-N 318.333 -0.513 30 20 DBED C[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)C#N)[C@H]2C1 1783685949 ZGZNFGSYLNEJTF-VOAKCMCISA-N 323.393 -0.103 30 20 DBED C[C@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)S)C2)C1 1783893789 GGACDJIRBHZHHX-CWSCBRNRSA-N 302.396 -0.485 30 20 DBED Cc1ncc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CC#N)C3)[nH]1 1793535732 LZNCLHYUWHVNSW-GNXNZQSNSA-N 317.349 -0.165 30 20 DBED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)C(C)=O)C2 1841053925 QBTGBFNIPYMJKF-WAYWQWQTSA-N 319.361 -0.363 30 20 DBED C#CC(=O)N1CC2(CCCN2C(=O)c2cc(C(=O)O)ncn2)C1 1842217974 ZCMSVNBVKFZVJL-UHFFFAOYSA-N 314.301 -0.375 30 20 DBED Cc1cc(C(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)no1 1842498156 RXWQKHZEWCJJNY-UHFFFAOYSA-N 317.301 -0.112 30 20 DBED Cn1c(NCCCOC[C@@H]2CCOC2)c(C#N)c(=O)n(C)c1=O 77229980 JGSVNNUEXVAYNS-NSHDSACASA-N 322.365 -0.189 30 20 DBED CN1CCN(S(=O)(=O)Cc2ccc(C#N)cc2)[C@H](CN)C1 124357212 BHNNGFXRBKJOIF-CQSZACIVSA-N 308.407 -0.037 30 20 DBED C#CCN1CCN(S(=O)(=O)CC2(CC(=O)OC)CC2)CC1 161513077 VQEXESVUHCUJLX-UHFFFAOYSA-N 314.407 -0.090 30 20 DBED CCNS(=O)(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 176831577 YYDQVDPKIOEITA-JTQLQIEISA-N 310.383 -0.287 30 20 DBED C=CCN(CCOC)C(=O)NCCC(=O)N1CCN(C)CC1 190972052 XQCIFQIJHLPDDF-UHFFFAOYSA-N 312.414 -0.006 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCCC[C@@H]2[C@H](C)N)C1=O 262747424 KZYWPEHMBQICHH-WDEREUQCSA-N 322.365 -0.309 30 20 DBED N#Cc1ccc(OCC(=O)NCC(=O)N2CCOCC2)cc1 271919164 BQGDMIQFGHKXFY-UHFFFAOYSA-N 303.318 -0.088 30 20 DBED COC(=O)[C@H]1[C@H](O)CCCN1CC(=O)N(CCC#N)CCC#N 275505444 HGVMNDZXNXXVNK-TZMCWYRMSA-N 322.365 -0.359 30 20 DBED N#Cc1ncccc1S(=O)(=O)NCCN1C(=O)CCC1=O 276977063 GNLHSGFOAUCKGB-UHFFFAOYSA-N 308.319 -0.619 30 20 DBED C=C[C@H](CO)NC(=O)N[C@@H]1CC(=O)N(C)[C@H]1c1ccnn1C 291854387 JVDTVUQRWYVHAJ-GIPNMCIBSA-N 307.354 -0.462 30 20 DBED C#CCO[C@@H](C)C(=O)NCC(C)CNC(=O)[C@H](C)OCC#C 295532846 HENACWMAPAGMPY-KBPBESRZSA-N 308.378 -0.069 30 20 DBED COC(=O)C1=NO[C@@H](Cn2cc(C(=O)OC)cc(C#N)c2=O)C1 298996624 AYNMVXHDWIOQIZ-SNVBAGLBSA-N 319.273 -0.176 30 20 DBED COCCN1CC[C@H](/N=C(/O)N[C@H]2CCS(=O)(=O)C2)C1 329280943 KMNFMZLTUGPTOQ-QWRGUYRKSA-N 305.400 -0.602 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[C@H](S(N)(=O)=O)C1 336935071 FCPGIJIJMHNKRX-ZJUUUORDSA-N 324.428 -0.924 30 20 DBED COC(=O)[C@@H]1CN(S(=O)(=O)CC2(C#N)CC2)C[C@H](C)O1 337983751 KDNPKOIHHKBJCP-UWVGGRQHSA-N 302.352 -0.118 30 20 DBED N#Cc1cccc(S(=O)(=O)N2CC[C@H](S(N)(=O)=O)C2)c1 340351644 UNNJHKIAQMGGGJ-NSHDSACASA-N 315.376 -0.390 30 20 DBED COCCOc1ccc(C#N)cc1NC(=O)C(=O)NCCO 344255876 CIMFLKSRSLUQNQ-UHFFFAOYSA-N 307.306 -0.370 30 20 DBED C[C@H]1CCN(S(=O)(=O)CCCS(=O)(=O)N(C)CC#N)C1 349499766 GHWQPRGUAORRCO-NSHDSACASA-N 323.440 -0.167 30 20 DBED C=CCN1CC[C@H](N2CCCN(S(C)(=O)=O)CC2)C1=O 369202134 GSQXFCGKPNNBDG-LBPRGKRZSA-N 301.412 -0.259 30 20 DBED CCC[C@@H]1C(=O)NCCN1S(=O)(=O)N(C)C[C@@H](C)C#N 407951660 GDSDNYCPRIGOGT-WDEREUQCSA-N 302.400 -0.077 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N1CCN(S(C)(=O)=O)CC1 407977737 UUHSFSWVJYWSTE-JTQLQIEISA-N 324.428 -0.958 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N[C@H]2CCC[C@H](N)C2)nn1 424544407 KSEUSKZZSIKVSR-QWRGUYRKSA-N 306.370 -0.534 30 20 DBED N#Cc1cc(S(=O)(=O)N2C[C@H](O)[C@@H](O)C2)ccc1Cl 434757843 QSRZGDDMQWKJTM-QWRGUYRKSA-N 302.739 -0.062 30 20 DBED C#CCNC(=O)CN1CCN(CCOCC(F)(F)F)CC1 491125445 FAYQLGYSGCVGSO-UHFFFAOYSA-N 307.316 -0.068 30 20 DBED O=C1c2ccccc2C(=O)N1CC#CCN1C[C@H](O)[C@@H](CO)C1 528519014 HQJADJIVJXZPSP-DOMZBBRYSA-N 314.341 -0.429 30 20 DBED N#Cc1ncn(CCNC(=O)[C@@H]2COCCN2CC(F)F)n1 553497982 MJOZXVSAARXVHV-VIFPVBQESA-N 314.296 -0.768 30 20 DBED CCN(CC(=O)NC(C)C)C(=O)CN1CC[C@](O)(CC#N)C1 592148699 ZMQQEFGJKSJUHR-OAHLLOKOSA-N 310.398 -0.290 30 20 DBED CN(C)S(=O)(=O)NCCNC(=O)N1CCC[C@@H](CC#N)C1 596614619 VOJSWTCCLQJNSM-NSHDSACASA-N 317.415 -0.282 30 20 DBED CC[C@]1(O)CCCN(C(=O)C(=O)N2CCN(CCC#N)CC2)C1 601517270 PLTNVVRDRFHRTF-INIZCTEOSA-N 322.409 -0.192 30 20 DBED CC(C)[C@](C)(C#N)NC(=O)Cn1cc(CN2CCNCC2)nn1 603170852 JKOFWOFSSLWKPH-HNNXBMFYSA-N 319.413 -0.262 30 20 DBED C=CCN(C(=O)[C@H]1CCCNC1=O)[C@@H]1CCS(=O)(=O)C1 630796238 LLZTZEWQDBKUBY-MNOVXSKESA-N 300.380 -0.286 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(C[C@H]2CCO[C@H]2C)c1=O 631005753 MXMAFIKJXYNHQK-NWDGAFQWSA-N 307.350 -0.031 30 20 DBED CNC(=O)CNC(=S)NN=Cc1cc(O)c(O)c(OC)c1 731928779 IQZISLAPHLBWKW-UHFFFAOYSA-N 312.351 -0.350 30 20 DBED CNC(=S)NN=Cc1cnc2ccc(-c3nn[nH]n3)cn12 736885255 ZWXITWIFTLGTAW-UHFFFAOYSA-N 301.339 -0.058 30 20 DBED Cn1cc(C(=O)NC[C@@H]2CCCN(CC#N)C2)c(=O)n(C)c1=O 748322739 UHFMLOFOWJQRED-NSHDSACASA-N 319.365 -0.951 30 20 DBED COC[C@H](NS(=O)(=O)c1c(F)cc(C#N)cc1F)C(N)=O 758480778 HAMFJVAVGVVGLN-VIFPVBQESA-N 319.289 -0.385 30 20 DBED C#CCNS(=O)(=O)N1CCN(CC(=C)Br)CC1 761033425 WRTSBACWQWSSGH-UHFFFAOYSA-N 322.228 -0.020 30 20 DBED CCC[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1cnn(CC#N)c1 785082240 YCPPWPVKUGRIBP-LLVKDONJSA-N 318.337 -0.528 30 20 DBED C#CCOc1cc(F)ccc1NC(=O)C(=O)N(C)C[C@H](O)CO 785117804 WDRIHWDZMVZHBU-NSHDSACASA-N 324.308 -0.412 30 20 DBED Cn1c(S(=O)(=O)NCCn2cnc(C#N)n2)cnc1Cl 796144166 SDMKIHZEBSNGID-UHFFFAOYSA-N 315.746 -0.485 30 20 DBED CNC(=O)NCCC(=O)NS(=O)(=O)c1cccc(C#N)c1 796712152 LUTFIGTWLFIPRJ-UHFFFAOYSA-N 310.335 -0.318 30 20 DBED C=C(C)[C@H]1OCC[C@@H]1CNC(=S)NCCNS(C)(=O)=O 797791997 JBYXICYGLLURTL-GHMZBOCLSA-N 321.468 -0.019 30 20 DBED C#CC[C@H](CO)NC(=O)CNC(=O)CNC(=O)OC(C)(C)C 820060122 UTLWTQYGTCZWFM-SNVBAGLBSA-N 313.354 -0.872 30 20 DBED C=C(Br)CNC(=O)c1cnn(C[C@@H](O)CO)c1 823961472 FHRJZFVFISYFPK-SECBINFHSA-N 304.144 -0.125 30 20 DBED N#Cc1ncn(CC(=O)N(CCC(=O)O)C[C@H]2CCCO2)n1 833078164 FBIXCUWFBSFJMM-SNVBAGLBSA-N 307.310 -0.368 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N(C)C[C@@H]1COCCO1 850709583 ZGIURZPDZREZSK-CYBMUJFWSA-N 312.366 -0.642 30 20 DBED O=C(CN1CCN(C(=O)C#CC2CCNCC2)CC1)NC1CC1 852856086 ULYSGNXXQAJZOA-UHFFFAOYSA-N 318.421 -0.588 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCCC(=O)[C@H]2C)C1=O 885040063 SCJMMGGRDDHOEN-SECBINFHSA-N 307.306 -0.457 30 20 DBED C#CC1(O)CN(C(=O)[C@H](C(C)C)N2CCCS2(=O)=O)C1 890522466 MKCCTLIWWUXHIY-NSHDSACASA-N 300.380 -0.747 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C#C)CC)CC1 894937400 OQCFXVHAWTUJKY-GFCCVEGCSA-N 312.395 -0.807 30 20 DBED Cn1c(NCC2CC3(C2)OCCO3)c(C#N)c(=O)n(C)c1=O 896154110 KDYVJUSEKFYOTD-UHFFFAOYSA-N 306.322 -0.479 30 20 DBED CN(C)CC#CCNC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 913515160 LFEOGBALYNOVOS-NZBPQXDJSA-N 315.373 -0.525 30 20 DBED C#CCNS(=O)(=O)c1ccc(C(=O)NCc2nc[nH]n2)cc1 920249845 XSMKNGBIKXERNH-UHFFFAOYSA-N 319.346 -0.354 30 20 DBED C#CC1(O)CN(C[C@](C)(O)c2ccc(S(C)(=O)=O)cc2)C1 934449776 JKFJVFZOGDWPEI-AWEZNQCLSA-N 309.387 -0.023 30 20 DBED COc1ccc(C(=O)N[C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)nn1 942403483 PGPKRUMUFLTDQK-VHSXEESVSA-N 303.322 -0.024 30 20 DBED Cn1nncc1C(=O)NC[C@@H]1CN(C(=O)C#CC2CC2)CCO1 944579300 JYVFCGFJPQZZSC-GFCCVEGCSA-N 317.349 -0.814 30 20 DBED C=CCN1C[C@H]2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)CC[C@H]2C1 946625782 FTFJEXCSXHCDHG-XQQFMLRXSA-N 320.393 -0.059 30 20 DBED CC[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)CC[C@H]1NC(=O)C(N)=O 948386555 VSTNQJXKIQKTGD-BXKDBHETSA-N 317.349 -0.271 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2CCN2C(=O)c2nc[nH]n2)nn1 950053613 XUMHWSHSDVWTCO-SECBINFHSA-N 316.325 -0.773 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]1CNC(=O)c1cn(C)c(=O)n1C 950633543 MINUVMNROSADQP-ZJUUUORDSA-N 305.338 -0.786 30 20 DBED CC#CCN1CC(N(CC)C(=O)C2CC3(C2)NC(=O)NC3=O)C1 953833634 OFCRVLCYVGYCEK-UHFFFAOYSA-N 318.377 -0.469 30 20 DBED CN(C(=O)[C@@H]1COC(=O)N1)C1CN(C(=O)c2ccc(C#N)[nH]2)C1 954189252 LEUYPFLXPAMZSR-NSHDSACASA-N 317.305 -0.722 30 20 DBED CN(C(=O)[C@@H]1CCCS1(=O)=O)C1CN(C(=O)C#CC2CC2)C1 954420104 HNYRGLPLSPFJCM-ZDUSSCGKSA-N 324.402 -0.354 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@H](C)C#N)C1 954630828 LGAOQWDSVKVHNY-OCCSQVGLSA-N 302.378 -0.087 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CN(C(=O)c2cnn(C)n2)C1 955364413 FOGOPKOLDBDMPE-YPMHNXCESA-N 319.365 -0.311 30 20 DBED Cc1c(C(=O)NC[C@H]2CN(CC#N)C[C@@H]2O)nn2c1OCCC2 958121438 GNDGGJICAOAGOB-RYUDHWBXSA-N 319.365 -0.480 30 20 DBED CC(=O)Nc1nc(C(=O)NC[C@@H]2CN(CC#N)C[C@H]2O)cs1 958199127 DFILSWDGRUIGDD-MWLCHTKSSA-N 323.378 -0.352 30 20 DBED Cc1nc2ccnn2cc1C(=O)NC[C@@H]1CN(CC#N)C[C@@H]1O 958557223 YVUJCMFAZDEVPL-YPMHNXCESA-N 314.349 -0.416 30 20 DBED Cc1cn2ccnc(C(=O)NC[C@@H]3CN(CC#N)C[C@@H]3O)c2n1 958578427 VDSFTMJQDABCET-NEPJUHHUSA-N 314.349 -0.416 30 20 DBED C#Cc1cncc(C(=O)N[C@@H](C)[C@@H]2CCN(C(=O)C(N)=O)C2)c1 959262704 XKHPWJJLMRYPFT-CMPLNLGQSA-N 314.345 -0.485 30 20 DBED N#CCN1C[C@H]2[C@H](NC(=O)[C@@H]3CCc4nnnn4CC3)[C@H]2C1 961847565 PWWALKMFGKAWJA-DCQANWLSSA-N 301.354 -0.804 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@@H]2C1 962261252 VDZRKRRUULHRDX-HGCLJGPKSA-N 304.350 -0.816 30 20 DBED N#CCN1C[C@@H]2C(NC(=O)c3ccc(-n4cnnn4)cc3)[C@H]2C1 962479593 UOZBLGKTILXCPV-STQMWFEESA-N 309.333 -0.154 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)c1ncccn1 964318866 HYXPBJDAYMWPKY-QWRGUYRKSA-N 303.322 -0.407 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)c3cc(C(N)=O)c[nH]3)[C@H]2C1 977058389 NACIJYDXKGATRD-BXSSEVMYSA-N 315.333 -0.540 30 20 DBED C=C(C)CN(C)[C@H]1CCN(C(=O)CN2C(=O)CN(C)C2=O)C1 980345701 GEXJGBWUKLZXOC-LBPRGKRZSA-N 308.382 -0.011 30 20 DBED CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)CC(N)=O 984793768 XNMBGMSCEBSKLE-NWDGAFQWSA-N 317.349 -0.129 30 20 DBED C[C@@H]1C[C@H](NCC#N)CN1C(=O)Cn1nc2n(c1=O)CCCC2 989650229 MRQCFGVSBJEHGW-NEPJUHHUSA-N 318.381 -0.516 30 20 DBED C=CCn1cc(C(=O)N2CC[C@@H](NC(=O)C(C)C)[C@@H](O)C2)nn1 991290781 GGRPAJXAYPNKFM-YPMHNXCESA-N 321.381 -0.188 30 20 DBED N#CCN[C@@H]1CCC[C@@H]2CN(C(=O)CCn3cnnn3)C[C@@H]21 992875194 MNPUWZJRCLNWJV-FRRDWIJNSA-N 303.370 -0.197 30 20 DBED C#CCN[C@H]1CCCN(C(=O)Cc2c(C)nc(O)nc2O)C1 1000524420 AHCCUQGZAKPFNN-NSHDSACASA-N 304.350 -0.047 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCN(Cc3nc(O)n[nH]3)C2)nn1 1015812694 ZYKHSMUNKLESFS-SECBINFHSA-N 318.341 -0.708 30 20 DBED C#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)CCn1ncn(C)c1=O 1017764881 AIEUQLXDIQWVEN-BETUJISGSA-N 303.366 -0.720 30 20 DBED C=CCCN1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CC(=O)NC1=O 1018069448 RLJUHSOUUUZDQY-TXEJJXNPSA-N 306.366 -0.211 30 20 DBED C[C@H](C#N)C(=O)N1CCC2(CN(C(=O)c3cnnn3C)C2)C1 1018984591 AYPSKJZTFMDMDT-SNVBAGLBSA-N 302.338 -0.351 30 20 DBED C=C(Br)CN[C@H]1C[C@@H](NC(=O)Cn2cnnn2)C1 1021815744 QETRGUFWTACWQT-DTORHVGOSA-N 315.175 -0.182 30 20 DBED Cc1nc(C(=O)N[C@H]2C[C@@H](NCC#N)C2)nn1-c1nc[nH]n1 1022518569 OQFOKQZABVDNSY-DTORHVGOSA-N 301.314 -0.932 30 20 DBED Cn1nnnc1CNC[C@H]1CCCN(C(=O)C#CC2CC2)C1 1023979822 UQPHLJSUHCPXES-CYBMUJFWSA-N 302.382 -0.048 30 20 DBED Cn1nnc(CN[C@@H]2CC[C@H]3CN(C(=O)C#CC4CC4)C[C@H]32)n1 1026263190 FWDCGQLZIRZTSU-BFHYXJOUSA-N 314.393 -0.050 30 20 DBED C#CCN1CCC[C@H]1CNC(=O)[C@@H]1CCc2nnnn2CC1 1028150439 QQIFCFVGIYUBFW-OLZOCXBDSA-N 302.382 -0.161 30 20 DBED C=CCCN1CCC[C@H]1CNC(=O)[C@@H]1CCS(=O)(=O)N1 1028324844 DBRXPBVZPCJOTM-RYUDHWBXSA-N 301.412 -0.165 30 20 DBED O=C(Cn1ncnn1)NC1CN(CC#Cc2ccc(F)cc2)C1 1030315774 LBCIEMHSZUYOQP-UHFFFAOYSA-N 314.324 -0.336 30 20 DBED C=C(Cl)CN1CC(NC(=O)[C@@H]2CCN(C)S2(=O)=O)C1 1031085976 CECTWJOXJGAEQA-JTQLQIEISA-N 307.803 -0.427 30 20 DBED C=CCN1CC[C@@H](N2CC(CNC(=O)c3ncccn3)C2)C1=O 1032065352 AKZXLSWDYJKXDB-CYBMUJFWSA-N 315.377 -0.075 30 20 DBED Cn1[nH]c(CN2C[C@@H]3C[C@H]2CN3C(=O)C#CC2CC2)nc1=O 1032397615 LLCDFMATHPBWIM-RYUDHWBXSA-N 301.350 -0.693 30 20 DBED C=C(C)CN1CC[C@H](N(C)C(=O)Cn2nc(C)n(C)c2=O)C1 1033624725 CEMMVWUUCCUEDU-ZDUSSCGKSA-N 307.398 -0.001 30 20 DBED C#CCCN1CC[C@H]2CN(C(=O)C3CS(=O)(=O)C3)CC[C@H]21 1036724615 JMGNOYJFDVXRKG-GXTWGEPZSA-N 310.419 -0.023 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCN1Cc1nc(O)n[nH]1 1038368346 PJNAVILFFYQBPD-NEPJUHHUSA-N 318.381 -0.702 30 20 DBED CN1C(=O)CN(CC(=O)N2C[C@@H]3CCC[C@H](C2)N3CC#N)C1=O 1039972093 GLVFOXJHKIPNPL-TXEJJXNPSA-N 319.365 -0.531 30 20 DBED C#CCN1CC[C@H]2CCN(C(=O)CN3CCC(=O)NC3=O)C[C@@H]21 1042304833 SCMXWXUWTWMVRJ-STQMWFEESA-N 318.377 -0.516 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)c2ccnnc2)C1 1042941248 LSUAMFJMXVXPPQ-UHFFFAOYSA-N 302.334 -0.561 30 20 DBED Cc1cc(C(=O)N2CC(O)(CNC(=O)C#CC3CC3)C2)cnn1 1042959321 WEMZVXBOMIXYJR-UHFFFAOYSA-N 314.345 -0.498 30 20 DBED CC#CCN1CC(N(C)C(=O)c2coc(S(N)(=O)=O)c2)C1 1043126130 OWPZPGCRIQLWTN-UHFFFAOYSA-N 311.363 -0.294 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)CCc2cn[nH]c2)C1 1043218801 NAFLREQHIZXNEY-UHFFFAOYSA-N 318.377 -0.165 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CN(c3nccnc3F)C[C@@H]2O)c1 1043888000 WJNPCVVNJNZWFQ-MNOVXSKESA-N 316.296 -0.205 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)c2c(C)cnn2C)C1 1044953242 GOWPBGLLOFQOKI-UHFFFAOYSA-N 306.366 -0.002 30 20 DBED Cc1ccn(C)c1C(=O)N1CC(O)(CNC(=O)[C@@H](C)C#N)C1 1045541528 XCIXEZFBMMRKBG-NSHDSACASA-N 304.350 -0.204 30 20 DBED Cn1ncc(C(=O)NC[C@H]2CC3(CCN(CC#N)CC3)CO2)n1 1045681277 FWGNOMMUXWFGSF-GFCCVEGCSA-N 318.381 -0.060 30 20 DBED CN1CCC[C@H]1C(=O)N1CCN([C@@H]2CCN(CC#N)C2)CC1 1046010981 YBANMQFNKZAVFS-CABCVRRESA-N 305.426 -0.177 30 20 DBED CCc1nocc1C(=O)NCC1(O)CN(C(=O)[C@H](C)C#N)C1 1046211382 WQZHANIRGAVFMZ-SECBINFHSA-N 306.322 -0.300 30 20 DBED C#CCN1C[C@H]2C[C@@H](NC(=O)Cn3nc(C)n(C)c3=O)C[C@H]1C2 1047189862 FTVMCUPATCYRSC-BFHYXJOUSA-N 317.393 -0.507 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3n2CCC3)C1 1047415089 FYSJHLZQDGRWBO-KBPBESRZSA-N 302.378 -0.030 30 20 DBED Cc1nnc2ccc(C(=O)N(C)[C@H]3CN(CC#N)C[C@@H]3O)cn12 1047436879 HKJOIMOJVFYLJD-STQMWFEESA-N 314.349 -0.322 30 20 DBED C=C(C)CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC(=O)NC2)C1 1047439713 QKGQEGRLMWGUNS-RDBSUJKOSA-N 309.410 -0.018 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)Cc2cc(CC)nn2C)C1 1047465236 UTAIOZNNMQAOQA-GJZGRUSLSA-N 304.394 -0.338 30 20 DBED C=CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCNC(=O)CC2)C1 1047469796 CMQIANCLUOXEEE-RDBSUJKOSA-N 309.410 -0.018 30 20 DBED C=C(C)CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@]2(C)CCNC2=O)C1 1047525941 AXTNUCWWVIWPPY-XEZPLFJOSA-N 309.410 -0.018 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 1047532127 URBGTRCASYRMCQ-RFGFWPKPSA-N 307.394 -0.585 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)C2CCN(C(N)=O)CC2)C1 1047621232 JVRAVCIJYRKDHQ-KBPBESRZSA-N 322.409 -0.696 30 20 DBED C#CCCCCC(=O)N(C)[C@H]1CN(C(=O)c2cnn[nH]2)C[C@@H]1O 1048709190 UIJHVJVEOMQTKU-STQMWFEESA-N 319.365 -0.358 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)c1ccnn1CCOC 1050970133 BVLPDGUUEBMVBP-ZDUSSCGKSA-N 306.366 -0.407 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](N2CCN(CCO)CC2)C1 1052090216 YMJIAIAHBUHUDT-OAGGEKHMSA-N 323.437 -0.212 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)C[C@H]3COC(=O)C3)CO2)C1 1053777612 NOISXPBPPUMZHG-CHWSQXEVSA-N 306.362 -0.078 30 20 DBED CC(C)N1C(=O)CC[C@H]1C(=O)N[C@H]1COC2(C1)CN(CC#N)C2 1053903973 CHDJTBUDSRIAAX-OLZOCXBDSA-N 320.393 -0.131 30 20 DBED C[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1NCc1nc(O)n[nH]1 1054568991 FPWBXVPBCYJKSS-KWQFWETISA-N 315.337 -0.040 30 20 DBED C=C(C)C[C@@H](C)C(=O)NCCN(CCO)C(=O)CNC(C)=O 1056817029 AVCZIMZWMVBHFZ-GFCCVEGCSA-N 313.398 -0.338 30 20 DBED COC[C@@H](C)C(=O)NCCN(CCO)C(=O)CSCC#N 1057026773 LHKFYGYYHTVMAY-LLVKDONJSA-N 317.411 -0.537 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)Cc1nnc(C)o1 1057495248 IFOCKRHJAIUYFK-UHFFFAOYSA-N 322.365 -0.339 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)CCCN(C)C 1057524763 PZAUAKIDYGRJGE-UHFFFAOYSA-N 311.426 -0.075 30 20 DBED C[C@@H]1CCN(CC(=O)NCCN(CCO)C(=O)C#CC2CC2)C1 1057536165 MPWYAKGVJNWXGQ-CQSZACIVSA-N 321.421 -0.321 30 20 DBED CCC(=O)N[C@H](C)C(=O)NCCN(CCO)C(=O)C#CC1CC1 1057537409 CNTYXEXRWIXMOT-GFCCVEGCSA-N 323.393 -0.748 30 20 DBED C#CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)C#CC(C)C 1057582951 CZDCKYRSFJDUTA-AWEZNQCLSA-N 308.378 -0.379 30 20 DBED C=C(C)CCC(=O)N(CCO)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1057804483 JXOXPPBCWUWSIC-VXGBXAGGSA-N 313.354 -0.055 30 20 DBED C=CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)COC(C)C 1057921521 JPMKHDBYHAYKCW-ZDUSSCGKSA-N 316.398 -0.060 30 20 DBED N#Cc1cnc(N2CC[C@@H](NC(=O)[C@@H]3CCNC3=O)C2)c(F)c1 1058508240 XVMSUHVISSMUCP-GHMZBOCLSA-N 317.324 -0.077 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)C[C@H]1COC(=O)C1 1058653056 LHQXWQXVRSBXQG-WDEREUQCSA-N 311.338 -0.964 30 20 DBED N#Cc1nc(=N[C@H]2C[C@H](NC(=O)[C@H]3CCNC(=O)C3)C2)cc[nH]1 1059184544 FVKDYBIBTBMRAS-DCAQKATOSA-N 314.349 -0.645 30 20 DBED C#CCCCC(=O)N1CC[C@@H](CCNC(=O)CNC(N)=O)C1 1059551725 OLIYXFPDAGQWLK-GFCCVEGCSA-N 308.382 -0.187 30 20 DBED N#Cc1nc(=NC[C@@H]2CCCN(C(=O)CC(N)=O)C2)cc[nH]1 1060009939 TWIWLLJMVNHFTF-JTQLQIEISA-N 302.338 -0.704 30 20 DBED C=CCCC(=O)N1CCOC[C@H]1CNC(=O)CCn1cncn1 1061285029 BWYZFXOAAQCCES-CYBMUJFWSA-N 321.381 -0.022 30 20 DBED C#CCNC(=O)CC(=O)N1CCOC[C@H]1CNC(=O)[C@H](C)CC 1061313522 GKWUAUVUJNREMV-CHWSQXEVSA-N 323.393 -0.484 30 20 DBED C=CCCC(=O)N1CCOC[C@H]1CNC(=O)COCCOC 1061437109 PABPZHFHEPQLQB-CYBMUJFWSA-N 314.382 -0.041 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1COCCN1C(=O)[C@H]1CCCO1 1061570322 YQNHYVOFSAJTHY-ZIAGYGMSSA-N 306.362 -0.078 30 20 DBED N#Cc1nccnc1N1CC[C@H](CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 1061731971 AGNDNTKLHDDWQQ-MXWKQRLJSA-N 314.349 -0.588 30 20 DBED Cc1c(C(=O)N2CCOC[C@@H]2CNC(=O)[C@@H](C)C#N)cnn1C 1061845246 FXVYPWAAXSIOMR-JQWIXIFHSA-N 319.365 -0.155 30 20 DBED Cc1nc(CC(=O)NCC2(NC(=O)[C@@H](C)C#N)CCC2)n[nH]1 1062983111 LCRAXNPTZRXASJ-VIFPVBQESA-N 304.354 -0.030 30 20 DBED CCOCC(=O)N1CCO[C@@H](CNC(=O)c2c[nH]c(C#N)c2)C1 1064808408 NNHNVTLQTBAWFZ-ZDUSSCGKSA-N 320.349 -0.120 30 20 DBED C#CCOCCC(=O)N1CCO[C@@H](CNC(=O)c2cc[nH]n2)C1 1065150684 SWPJQXQXRJHYPS-LBPRGKRZSA-N 320.349 -0.593 30 20 DBED COCC1(C(=O)NC[C@@H]2CN(C(=O)[C@@H](C)C#N)CCO2)CC1 1065562429 ZJUIMMSXEAYEGI-NWDGAFQWSA-N 309.366 -0.084 30 20 DBED C[C@H](NC(N)=O)C(=O)N[C@@H]1CCCN(C(=O)C#CC2CC2)CC1 1066085632 OJWSTTMIJLNGKS-WCQYABFASA-N 320.393 -0.046 30 20 DBED CN(CCCN(C)C(=O)c1nc[nH]n1)C(=O)CSCC#N 1066871372 GQMBBUPYQVNGTR-UHFFFAOYSA-N 310.383 -0.018 30 20 DBED C=CCO[C@@H](C)C(=O)NC1(CC)CCN(C(=O)C(N)=O)CC1 1069579074 MDFUWYUXOWACQJ-NSHDSACASA-N 311.382 -0.050 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)Cn2ccnc2)CCOCC1 1070234113 NKWZXFYRHPAFIK-LBPRGKRZSA-N 319.365 -0.176 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)[C@H]2C[C@H]2C(=O)OC)CC1 1070945834 BEVROGLTHORRDY-QWHCGFSZSA-N 321.377 -0.921 30 20 DBED N#CCN1CCNC(=O)CCN(C(=O)c2cc(C#N)c[nH]2)CC1 1070951416 MQFAMEZDCIYAOT-UHFFFAOYSA-N 314.349 -0.326 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)[C@@H]2CCNC(=O)C2)CC1 1070954188 RBUVXVFQMZMWSG-CYBMUJFWSA-N 322.409 -0.651 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(C(=O)Cc2nc[nH]n2)C[C@H]1C 1073818481 ZUJUYGCUERELSE-VXGBXAGGSA-N 321.381 -0.097 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)CNC(N)=O)CC[C@H]2C1 1074285028 YTQDPGQZBAGDOM-SDDRHHMPSA-N 321.381 -0.489 30 20 DBED COC(=O)NCC(=O)N[C@@H](C)CCNC(=O)c1ccc(C#N)[nH]1 1076177689 LIIBXAQVRCVPIJ-VIFPVBQESA-N 321.337 -0.133 30 20 DBED C[C@@H](CCNC(=O)c1ccc(C#N)[nH]1)NC(=O)c1ncn(C)n1 1076177699 LVCQZFOEAFWNKC-VIFPVBQESA-N 315.337 -0.047 30 20 DBED C=CCCOCC(=O)NCC[C@H](C)NC(=O)CS(C)(=O)=O 1077061787 HPBKBNXOYWDQLO-NSHDSACASA-N 320.411 -0.365 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)c2ccnc3c2nnn3C)C1 1077577448 HPQDPXYLGGSOAH-VXGBXAGGSA-N 314.349 -0.839 30 20 DBED CC#CCCCC(=O)N1CC(N(CC)C(=O)Cn2cnnn2)C1 1079288912 XNJOLQRSECMTLM-UHFFFAOYSA-N 318.381 -0.074 30 20 DBED C#CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)CNC(=O)CC)C1 1079775505 ZKYPLXHJBGDBLH-GFCCVEGCSA-N 323.393 -0.390 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1080294815 VNSIROBODZSGFP-SPWCGHHHSA-N 320.389 -0.024 30 20 DBED C#CCCN1C[C@@H](NC(=O)c2nc(O)nc(O)c2OC)[C@H](C)C1 1080773985 XDIGSNGMWZJLEC-NXEZZACHSA-N 320.349 -0.030 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2[nH]c(O)nc2C)C1 1081557159 YCLNWMSBRFDWBA-WDEREUQCSA-N 322.365 -0.061 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2nocc2C)C1 1081773836 HAKOSCMSPFSQHF-NWDGAFQWSA-N 323.349 -0.265 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CC(=O)N(CC)C1 1083099147 WBEWZZVQBNEFTM-MELADBBJSA-N 305.378 -0.600 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)C[C@@H]2NC(=O)c3ccccc32)C1 1083879590 RPKZKYDGTHMJDI-ZNMIVQPWSA-N 313.357 -0.344 30 20 DBED Cn1cc(C(=O)N[C@@H]2CCN(CC#N)C[C@@H]2O)c(C2CC2)n1 1090301187 OTPDBRWLAMYQIZ-OLZOCXBDSA-N 303.366 -0.014 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(c2ncnc3c2CCC3)C[C@H]1O 1090391324 IAISSQNNDMDKQI-ZIAGYGMSSA-N 318.377 -0.166 30 20 DBED COCc1cc(N2C[C@@H](O)[C@H](NC(=O)C#CC3CC3)C2)ncn1 1090413474 RHWOTAXKWRWZEC-ZIAGYGMSSA-N 316.361 -0.298 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2cc3n(n2)CCCO3)[C@H](O)C1 1090425774 SXKQLSGWXBUGMM-DGCLKSJQSA-N 304.350 -0.536 30 20 DBED C#CCCN1CC[C@@H](NC(=O)Cc2ccc(O)nc2)[C@@H](O)C1 1090442269 RNNSWPOMRCZNEC-KGLIPLIRSA-N 303.362 -0.096 30 20 DBED N#CCN1CC[C@H](NC(=O)c2cnc(C3CC3)nc2O)[C@H](O)C1 1090631833 WXKBNJNZCDKCHM-NWDGAFQWSA-N 317.349 -0.252 30 20 DBED CO[C@@H]1CN(c2nccnc2C#N)C[C@H]1NC(=O)CC(C)(C)O 1090883095 HHNDIROMRUYGDZ-VXGBXAGGSA-N 319.365 -0.171 30 20 DBED C#CCNC1CC(CNC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 1091026531 PDNYXLNXFYMORZ-OTTFEQOBSA-N 315.377 -0.120 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(c2nc(C)cc(C#N)n2)C[C@@H]1O 1091082118 YTTDIFDVMNGKLT-OLZOCXBDSA-N 317.349 -0.475 30 20 DBED COCC[C@H](C)C(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1091108871 MIDFIMQQYMMVKE-UHTWSYAYSA-N 319.365 -0.313 30 20 DBED Cn1ncnc1COCC(=O)NCCNc1cncc(C#N)n1 1093828813 FQWMZASCMCMEDF-UHFFFAOYSA-N 316.325 -0.778 30 20 DBED C[C@]1(C(=O)NCCN=c2cc[nH]c(C#N)n2)CCNC(=O)C1 1094233428 IVANIXGUNQJZCB-AWEZNQCLSA-N 302.338 -0.785 30 20 DBED N#Cc1ccc(NCCNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)nn1 1094301692 IDDJTZVYKJRKFO-VHRBIJSZSA-N 317.349 -0.072 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)c3nccn3CC)CC2=O)C1 1094732808 CDDOXLOPXKKQBB-GFCCVEGCSA-N 315.377 -0.449 30 20 DBED C=CCCN1CC(N2C[C@@H](NC(=O)c3nc[nH]n3)CC2=O)C1 1094798359 WYBDSORGCHSNAN-JTQLQIEISA-N 304.354 -0.604 30 20 DBED N#CCN1CC(N2C[C@@H](NC(=O)c3cccnn3)CC2=O)C1 1094799268 IHNAVAOYZUEAAH-JTQLQIEISA-N 300.322 -0.985 30 20 DBED N#Cc1cncc(NCCCNC(=O)c2nnc(O)nc2O)n1 1094888732 VRWNPUMRBGUJGU-UHFFFAOYSA-N 316.281 -0.824 30 20 DBED CN1C[C@H](C(=O)NCCCN(C)c2ccc(C#N)nn2)CC1=O 1095761985 VPQOYLFMIPIYSZ-LLVKDONJSA-N 316.365 -0.231 30 20 DBED N#Cc1ccc(N2CCC[C@@H](NC(=O)CCNC(N)=O)C2)nn1 1096181070 RXAPWLGYVDIABU-LLVKDONJSA-N 317.353 -0.508 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H]1CCN(c2ccc3nnnn3n2)C1 1096441897 KNGXDKWXZUHBIL-QWRGUYRKSA-N 315.337 -0.748 30 20 DBED CCC(=O)NCC(=O)N[C@H]1C[C@@H](Nc2cnc(C#N)cn2)C1 1097164165 DEOCGTXGKDWUNA-AOOOYVTPSA-N 302.338 -0.066 30 20 DBED C=CCOCC(=O)NC[C@@H](C)N=c1cc[nH]c(C(=O)OC)n1 1097719289 INVWEPQXAXADPI-SNVBAGLBSA-N 308.338 -0.196 30 20 DBED C[C@H](CNC(=O)C[C@@H]1CC(=O)NC1=O)Nc1cnc(C#N)cn1 1097943947 OJPWQCJBFRCTTD-RKDXNWHRSA-N 316.321 -0.682 30 20 DBED COC[C@@H](OC)C(=O)N1CC[C@@H](CN=c2cc[nH]c(C#N)n2)C1 1098575689 AEQXYSRFOOAFHG-NWDGAFQWSA-N 319.365 -0.308 30 20 DBED C=CCN1C[C@@H]2CCC[C@]2(NC(=O)CN2CC(=O)NC2=O)C1 1099083410 OZAOCIFSDBVTJA-NHYWBVRUSA-N 306.366 -0.305 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CCN(Cc2nncn2C)C[C@H]1O 1099821210 REDSWQSQABTTHH-CHWSQXEVSA-N 305.382 -0.474 30 20 DBED C=CCNC(=O)CNC1CC(CNC(=O)CCCC(=O)NC)C1 1100264926 LLYLBSBOQYYWKP-UHFFFAOYSA-N 324.425 -0.311 30 20 DBED Cc1nc[nH]c1CC(=O)NCC1CC(NCC(=O)NCC#N)C1 1100918514 ZUHWQIPPPANSEA-UHFFFAOYSA-N 318.381 -0.615 30 20 DBED Cc1cc(C#N)nc(NCCN(C)C(=O)c2cnn(C)n2)n1 1101680484 ODPSOEDYINGECK-UHFFFAOYSA-N 300.326 -0.031 30 20 DBED C[C@@H]1CN(Cc2nc(O)n[nH]2)C[C@H]1CNC(=O)CSCC#N 1101736242 UXZUWSWWUHDJGM-NXEZZACHSA-N 324.410 -0.049 30 20 DBED CN(CCN=c1cc[nH]cc1C#N)C(=O)c1cnc(O)n1C 1101902760 DOVIYIRSHWSPPR-UHFFFAOYSA-N 300.322 -0.002 30 20 DBED CNC(=O)NCC(=O)N(C)[C@H](C)CNc1ccc(C#N)nn1 1104856627 YFVNOTARVWLFST-SECBINFHSA-N 305.342 -0.464 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)Cc2ccc[nH]2)nn1 1105863850 SYRNVEHMOAHFOO-LBPRGKRZSA-N 300.322 -0.192 30 20 DBED CN(C)C1(C(=O)NC[C@@H](O)CN=c2cc[nH]c(C#N)n2)CCC1 1106004017 KJGFJMNMGHFJID-NSHDSACASA-N 318.381 -0.857 30 20 DBED C[C@@H]1CN(C(=O)[C@H]2CCCCO2)C[C@H]1CNCC(=O)NCC#N 1106012869 VGSYTLMPUXWCMI-MGPQQGTHSA-N 322.409 -0.121 30 20 DBED N#Cc1cnc(NC[C@H](O)CNC(=O)c2n[nH]cc2F)cn1 1106083926 XKSHIAKWSSWXHA-QMMMGPOBSA-N 305.273 -0.587 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@@H](C)[C@H](CNCc2nnnn2C)C1 1106112259 ZPRKQPKXQOCOPF-JHJVBQTASA-N 320.397 -0.568 30 20 DBED C[C@H](NC(N)=O)C(=O)N[C@H](C)CCNc1cncc(C#N)n1 1106298582 WEMKNLXFFXILLY-BDAKNGLRSA-N 305.342 -0.288 30 20 DBED C[C@@H]1CN(C(=O)CN2C(=O)CN(C)C2=O)C[C@H]1CNCC#N 1106960370 LDUKMHARRGYNFX-GHMZBOCLSA-N 307.354 -0.912 30 20 DBED C#CCNC(=O)CC(=O)NC/C=C/CNc1nccc(OC)n1 1107130329 KUTSOWRRYVUIEP-SNAWJCMRSA-N 317.349 -0.291 30 20 DBED Cn1nccc1CC(=O)NCc1cn(C2CN(CC#N)C2)nn1 1107165377 VCDBTQCCWAAWAC-UHFFFAOYSA-N 314.353 -0.749 30 20 DBED CNC(=O)C1(C(=O)NC/C=C/CNc2cncc(C#N)n2)CC1 1107251921 AYDCAJAUJZPIKU-NSCUHMNNSA-N 314.349 -0.041 30 20 DBED CN1C[C@H](C(=O)NC/C=C\CNc2nccnc2C#N)CC1=O 1107568772 OUEWHRMBJZFGSS-OTDNITJGSA-N 314.349 -0.089 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CNc1nc(C)cc(OC)n1 1108320978 FYTCQWIDAIREDO-NSHDSACASA-N 319.365 -0.150 30 20 DBED Cc1nc(N(C)C[C@H](C)NC(=O)Cn2cnnn2)ccc1C#N 1108850187 MDKGKLWKWSBENT-JTQLQIEISA-N 314.353 -0.111 30 20 DBED C[C@H](CN(C)c1nccnc1C#N)NC(=O)c1cn(C)nn1 1108925492 UTGTYGXANDTPIJ-SECBINFHSA-N 300.326 -0.269 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)CN(C)c1nccc(C)n1 1108941616 XQMFWWCEKZJDDN-GFCCVEGCSA-N 303.366 -0.135 30 20 DBED C[C@H](CN(C)c1ccnc(C#N)n1)NC(=O)[C@@H]1CCC(=O)N1C 1109179240 OCRCZFFYWMSMIA-MNOVXSKESA-N 316.365 -0.090 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)N(C)C 1109266983 KEWJNFAXOGZAAO-MQYQWHSLSA-N 307.394 -0.166 30 20 DBED CN(CCCNc1ccc(C#N)nn1)C(=O)Cn1nccn1 1109539021 FIKGQIYUCBWAHC-UHFFFAOYSA-N 300.326 -0.100 30 20 DBED N#Cc1ccc(NC2(CNC(=O)c3c[nH]c(=O)cn3)CC2)nn1 1110320337 NHGNVXXOKNXRDC-UHFFFAOYSA-N 311.305 -0.194 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNc1ncnc2c1ncn2C 1111435792 DCCFBSCAWBCBMP-SNVBAGLBSA-N 317.353 -0.244 30 20 DBED CNC(=O)CC(=O)N1CCO[C@H](CNc2ncccc2C#N)C1 1111940828 VJOJKPCFGVYQRK-GFCCVEGCSA-N 317.349 -0.271 30 20 DBED CO[C@@H](C)C(=O)NC1(CO)CCN(c2cncc(C#N)n2)CC1 1112651308 LVVWAOUJAWDRHX-NSHDSACASA-N 319.365 -0.169 30 20 DBED Cc1ccnc(N2C[C@@H](O)[C@@H](CNC(=O)CSCC#N)C2)n1 1112725885 QKVIAHBEZARPOB-NWDGAFQWSA-N 321.406 -0.045 30 20 DBED COCC#CCN1CCN(C(=O)c2ccc3nnnn3c2)CC1 1113097529 GKENYRYQMWDJES-UHFFFAOYSA-N 314.349 -0.468 30 20 DBED C[C@@H](NC(=O)c1nnn(C)n1)[C@@H](C)Nc1ccc(C#N)nn1 1113258140 AJEGUDXAWXLUNA-HTQZYQBOSA-N 301.314 -0.509 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)[C@H](OC)C(C)C)CC1 1113297988 RMGQMDVZJXYBSJ-ZIAGYGMSSA-N 309.410 -0.061 30 20 DBED C[C@H](CNC(=O)[C@@H]1CCC(=O)NC1)N(C)c1ccc(C#N)nn1 1113961805 WSFNHNINEVQYPR-GHMZBOCLSA-N 316.365 -0.185 30 20 DBED CC(C)(C)C#CC(=O)NC1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]12 1114258590 VUULIJWOZIOMBE-VXGBXAGGSA-N 302.378 -0.278 30 20 DBED C#CCO[C@H](C)C(=O)NC1[C@H]2CN(Cc3ncnn3C)C[C@H]12 1114271034 OCHDNNAMTBNQOQ-WOPDTQHZSA-N 303.366 -0.600 30 20 DBED C#CCN1C[C@H]2[C@H](NC(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)[C@H]2C1 1114593432 WWMVYGPTOKGQDQ-BIGJJFBESA-N 305.378 -0.521 30 20 DBED CN1CCC(C(=O)NC2[C@H]3CN(CC(=O)NCC#N)C[C@H]23)CC1 1114775046 ZGGLWENMNFENML-STQMWFEESA-N 319.409 -0.986 30 20 DBED C=CCO[C@H](C)C(=O)NC1[C@@H]2CN(CC(=O)NC(=O)NC)C[C@@H]12 1115333258 VKGKCXGYHGZKMP-GMTAPVOTSA-N 324.381 -0.921 30 20 DBED C=CCO[C@H](C)C(=O)N[C@H]1[C@@H]2CN(CCS(C)(=O)=O)C[C@@H]21 1115333710 ZFIMSMBGKMRBCJ-NDBYEHHHSA-N 316.423 -0.332 30 20 DBED N#CCNC1(CNC(=O)c2nnc(O)nc2O)CCCCC1 1115617464 XOXWHIKTJFGEGN-UHFFFAOYSA-N 306.326 -0.171 30 20 DBED C[C@H](NC(N)=O)C(=O)N(C)C[C@@H](C)Nc1nccnc1C#N 1115675029 WUUZYHZKVAANDD-BDAKNGLRSA-N 305.342 -0.336 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)Nc2cccc3c2CNC3=O)CCO1 1117424477 JXUZLDDLMUHGDO-VIFPVBQESA-N 314.301 -0.381 30 20 DBED CN(C)c1c(C=NNCC2CCOCC2)c(=O)n(C)c(=O)n1C 1117483934 UOBGLDKTLWEUOU-UHFFFAOYSA-N 323.397 -0.500 30 20 DBED Cn1cc(-c2noc([C@@H](N)CCCC#N)n2)c(=O)n(C)c1=O 1118102591 FBTCNRSPMZZXMI-VIFPVBQESA-N 304.310 -0.172 30 20 DBED CCOC[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](C#N)C2)CCO1 1118898473 MNRHWERUSWMDNE-RYUDHWBXSA-N 311.338 -0.999 30 20 DBED COC(=O)[C@H]1CN(C(=O)C(=O)N2CCC[C@@H](C#N)C2)CCO1 1120332589 OWSHQSCNBQOVNH-WDEREUQCSA-N 309.322 -0.851 30 20 DBED Cc1ccoc1C(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1 1121054609 FITCMXSIKYHRBG-JTQLQIEISA-N 301.306 -0.126 30 20 DBED N#Cc1cccnc1N[C@@H](CO)CNC(=O)Cn1cccn1 1121056053 RHKUHILYNLDOHM-GFCCVEGCSA-N 300.322 -0.261 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@H](CO)Nc1cc(C)nc(CO)n1 1121406310 SSHWXSBNNXNYEK-XHDPSFHLSA-N 324.381 -0.507 30 20 DBED CN1CC[C@H](C(=O)NC[C@@H](CO)N=c2cc[nH]cc2C#N)C1 1121588978 DSFOGWUALJWFSL-AAEUAGOBSA-N 303.366 -0.784 30 20 DBED C=CCO[C@H](C)C(=O)NC[C@H](CO)Nc1ccc(C#N)nn1 1121750418 ZRNCKYHVVRYFJL-ZYHUDNBSSA-N 305.338 -0.172 30 20 DBED Cc1ccc(C#N)c(N[C@H](CO)CNC(=O)c2cnon2)n1 1121882075 NYUWTQJUHIHVCL-JTQLQIEISA-N 302.294 -0.153 30 20 DBED COC1CC(C(=O)NC[C@H](CO)N=c2cc[nH]cc2C#N)C1 1122177215 NIDVVMDQIKHZSI-YXMLORGKSA-N 304.350 -0.311 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)c2c[nH]c(=O)cn2)nc1 1122514257 IXKIGTAXZDXYFF-JTQLQIEISA-N 314.305 -0.761 30 20 DBED CC(=O)NCC(=O)N1C[C@H](Nc2cncc(C#N)n2)C[C@@H]1C 1123120273 FDCUGODXZKROFU-GXSJLCMTSA-N 302.338 -0.114 30 20 DBED CCCN(C)CC(=O)N(C)C[C@H](O)CN=c1cc[nH]cc1C#N 1124441544 IOKHZFNMVUDTIC-CQSZACIVSA-N 319.409 -0.052 30 20 DBED C#CCCCC(=O)NCCNCCCS(=O)(=O)N(C)C 1126343559 AXWUDVGMQOVIRG-UHFFFAOYSA-N 303.428 -0.223 30 20 DBED C=C[C@](C)(O)CC(=O)NCCNCC(=O)NC[C@H]1CCOC1 1126377628 CMQBLEMGFRKZOX-DOMZBBRYSA-N 313.398 -0.828 30 20 DBED CNC(=O)Cc1noc(CNCCNC(=O)C#CC(C)(C)C)n1 1126921490 QSLOINBTBXMABW-UHFFFAOYSA-N 321.381 -0.387 30 20 DBED CNC(=O)CC(=O)N(C)CCOCCNc1cncc(C#N)n1 1127269655 XABGJVMBKMTZTJ-UHFFFAOYSA-N 320.353 -0.629 30 20 DBED CC#CCN1CCn2ncc(CNC(=O)[C@H](C)NC(N)=O)c2C1 1128316000 DMJJCKWPVBQBLP-NSHDSACASA-N 318.381 -0.605 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)[C@H]2OCCO[C@H]2C)C1=O 1129807092 ZAVNDEDUFVHHGN-AVGNSLFASA-N 311.382 -0.717 30 20 DBED CCNC(=O)CC(=O)NCc1c[nH]nc1[C@@H]1CCN(CC#N)C1 1130384115 VIJWVJPKJGKLBE-LLVKDONJSA-N 318.381 -0.135 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)CCc2nccn2C)C1=O 1131653474 UFNPHJJSPZJGIK-ZDUSSCGKSA-N 319.409 -0.155 30 20 DBED C[C@H]1CC[C@H](NC(=O)c2cnn(C)c2)CN1CC(=O)NCC#N 1131776906 YDCVDFWGIVFYFI-AAEUAGOBSA-N 318.381 -0.357 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)C(C)(C)N1CCCC1 1132286992 QRLMODVPBYBGBR-ZDUSSCGKSA-N 308.426 -0.296 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1cnc(O)cc1OC 1134020784 HCKCYNXCSJABFU-UHFFFAOYSA-N 308.338 -0.583 30 20 DBED C=CCn1cc(C(=O)NCCNCC(=O)N(C)CC2CC2)nn1 1134970113 QOQZKUQCDFVJHP-UHFFFAOYSA-N 320.397 -0.348 30 20 DBED CC#CCN[C@H](C)C[C@@H](C)NC(=O)CCn1cc[nH]c(=O)c1=O 1135686225 FCDLJWDIOLYTOU-CHWSQXEVSA-N 320.393 -0.177 30 20 DBED C=CCNC(=O)CNCCNC(=O)C(C)(C)c1cnn(C)c1 1136103716 LDMKVQHMRIULHY-UHFFFAOYSA-N 307.398 -0.294 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1cn(C)nc1Cl 1147533108 BCVIBMRPUCGSQJ-VIFPVBQESA-N 311.773 -0.469 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CN(CCNC(=O)C2CC2)CCCO1 1149416845 WHUDRADSHIKODI-JSGCOSHPSA-N 322.409 -0.121 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)CCn1cccn1 1151949120 XHUBFKZHIRDMGO-CYBMUJFWSA-N 320.397 -0.260 30 20 DBED N#CCNC(=O)CNCCNC(=O)[C@H]1COc2ccccc21 1153506711 CEVSUOCLHLMALF-LBPRGKRZSA-N 302.334 -0.492 30 20 DBED C#CCNC(=O)CN1CC=C(CCNC(=O)CNC(C)=O)CC1 1159088766 JCPGTNLJTFQJFY-UHFFFAOYSA-N 320.393 -0.990 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@@H]1CCCn2nccc21 1161255752 BRSAGHUYFQTLQD-CYBMUJFWSA-N 317.393 -0.394 30 20 DBED C#CCCN1CCC(CNC(=O)[C@H](C)NC(N)=O)(COC)CC1 1162229926 GWNRCZOSWFYIIC-ZDUSSCGKSA-N 324.425 -0.089 30 20 DBED C=CCN1CCC(CNC(=O)[C@H]2CNC(=O)N2)(COC)CC1 1162441697 SPTABSWEZRZMHB-GFCCVEGCSA-N 310.398 -0.301 30 20 DBED CCCN1CCC[C@@H](C(=O)NCCCNCC(=O)NCC#N)C1 1164450075 XOKSSXYGHFBZTL-CQSZACIVSA-N 323.441 -0.156 30 20 DBED CCN(CCC#N)C(=O)CNCCCNC(=O)c1ccnnc1 1167284153 VTXGMSZREJFYCP-UHFFFAOYSA-N 318.381 -0.052 30 20 DBED C[C@H](NS(C)(=O)=O)C(=O)NCCC1(CNCC#N)CC1 1167328537 IWRABJVZFDXIPG-JTQLQIEISA-N 302.400 -0.676 30 20 DBED CC#CCNCC1(CCNC(=O)CN2C(=O)CNC2=O)CC1 1168023866 QTSPJFPVGMTIEU-UHFFFAOYSA-N 306.366 -0.562 30 20 DBED COCC#CCNCCCNC(=O)COC1CCN(C)CC1 1169541332 JFSJGRAVYBUWHR-UHFFFAOYSA-N 311.426 -0.157 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1cn(C)nc1Cl 1170932876 AQOBWKIGJDKRNT-UHFFFAOYSA-N 311.773 -0.468 30 20 DBED C#CCNC(=O)CNCCCC[C@H](C)NC(=O)c1cnn[nH]1 1171652546 VSMCETNJUSBIMH-NSHDSACASA-N 306.370 -0.568 30 20 DBED C#CCNC(=O)CNCCCNC(=O)C[C@@H]1CCCCC(=O)N1 1174667062 ULJLYHWXAVAJHO-ZDUSSCGKSA-N 322.409 -0.719 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)c2cn(C)nn2)[C@H]1C 1178611544 KYFIKLMDBKIOAS-WOPDTQHZSA-N 318.381 -0.854 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](NCc2ncnn2CCF)C1 1182496837 SNFQCTYMEDOBFM-CYBMUJFWSA-N 323.372 -0.022 30 20 DBED COCC#CCNC[C@@H]1CCN(C(=O)Cn2ncnn2)C[C@@H]1C 1184399742 MRICMXQWFSPFFC-KBPBESRZSA-N 320.397 -0.603 30 20 DBED CCn1cc(CC(=O)N2CC[C@@H](NCC#CCOC)C2)nn1 1184491975 FZYOKWGFPJIXBP-CYBMUJFWSA-N 305.382 -0.319 30 20 DBED C#CCNC[C@@H]1CN(C(=O)[C@H]2COC(=O)N2)CC12CCOCC2 1186368719 UTEWRTPGNWTSOV-CHWSQXEVSA-N 321.377 -0.427 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)C[C@H](C)n2cccn2)C1 1186885088 CJUOZQHNMZAIJL-UONOGXRCSA-N 317.393 -0.226 30 20 DBED C=CCOCCN[C@@H]1CCN(C(=O)CN2CC(=O)N(C)C2=O)C1 1187061065 DNDROAJLKHRALL-GFCCVEGCSA-N 324.381 -0.727 30 20 DBED CC(=O)CCCC(=O)N1CC[C@H](N(C)CC(=O)NCC#N)C1 1188878215 MGTHOARQRIVVOP-ZDUSSCGKSA-N 308.382 -0.082 30 20 DBED C=CCN1C[C@@H]2CCN(C(=O)[C@H](C)NS(C)(=O)=O)[C@@H]2C1 1189237827 MLEJSSZYGPUAGO-SDDRHHMPSA-N 301.412 -0.357 30 20 DBED C=CCCN(C)[C@@H]1CCN(C(=O)CN2CCN(C)C(=O)C2)C1 1191030215 RTSHAGZAYPNITM-CQSZACIVSA-N 308.426 -0.131 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCCN(C(=O)[C@H]2CCOC2)CC1 1195088913 GMFMNXNICAVCLY-KGLIPLIRSA-N 307.394 -0.305 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@]2(C)C=CCC2)C1 1195317999 GOKPMAGWXOWBCA-XJKCOSOUSA-N 305.378 -0.747 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)COc2cnn(C)c2)C1 1195648876 XARQDAAZSVROFD-ZIAGYGMSSA-N 308.382 -0.074 30 20 DBED C=CCNC[C@H]1CN(C(=O)C2CS(=O)(=O)C2)CCCO1 1200583273 QWVNWESJVNPRAG-LBPRGKRZSA-N 302.396 -0.576 30 20 DBED N#CCNC(=O)CNC1CCN(C(=O)[C@@H]2C[C@H]3C=C[C@H]2O3)CC1 1201321603 QMEOLXLUYJRVFY-MGPQQGTHSA-N 318.377 -0.450 30 20 DBED C#CCNC[C@@H]1CN(C(=O)[C@H](NC(N)=O)C(C)(C)C)CCCO1 1201871373 JMNQIRUGAZPYGR-OLZOCXBDSA-N 324.425 -0.090 30 20 DBED C=CCNC[C@@H]1CN(C(=O)CN2C(=O)CCC2=O)CCCO1 1202021173 HYIMZXRYHFYHCL-GFCCVEGCSA-N 309.366 -0.472 30 20 DBED COCC#CCN[C@H]1C[C@@H](NC(=O)Cn2ncnn2)C12CCC2 1202930502 WBGNJRRANZYSSL-QWHCGFSZSA-N 318.381 -0.660 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)c2cn(CC)nn2)CC1 1203115734 UYKFHKANLDKVIJ-UHFFFAOYSA-N 318.381 -0.758 30 20 DBED C#CCN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)CS(=O)(=O)N(C)C)C2 1204926426 NLLQFJTXTQABOG-JHJVBQTASA-N 313.423 -0.520 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC[C@H](NCCN2CCNC2=O)C1 1208025997 VYLGIWDSDNOUHL-KGLIPLIRSA-N 322.409 -0.370 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)[C@@]23COC[C@@H]2C3)C1 1208084499 PPDORRZLVBZPBI-XEZPLFJOSA-N 307.394 -0.094 30 20 DBED C=CCCN[C@@H]1CCCN(C(=O)Cn2ccc(=O)n(C)c2=O)C1 1208278857 BYIZORWUWSHXBA-CYBMUJFWSA-N 320.393 -0.296 30 20 DBED C#CCCN[C@@H]1CCCN(C(=O)CN2CCN(C)C(=O)C2)C1 1208454097 SPEGDVHUXZTRFO-CQSZACIVSA-N 306.410 -0.636 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)CN2CC[C@H](C)C2)[C@H](C)C1 1208591308 UHBFMKPPXRLIOM-RRFJBIMHSA-N 320.437 -0.486 30 20 DBED C#CCN[C@H]1CCCN(C(=O)[C@@H](NS(C)(=O)=O)C(C)C)C1 1210019120 VKJHYVUBMAEOQA-STQMWFEESA-N 315.439 -0.226 30 20 DBED CC#CCN[C@H]1CCCN(C(=O)[C@H](CCC(N)=O)NC(C)=O)C1 1210154377 KHZDCBBZJFRHJN-KBPBESRZSA-N 322.409 -0.640 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)CSC)[C@H](OC)C1 1211819525 STJZPAILXCPKKQ-GHMZBOCLSA-N 301.412 -0.533 30 20 DBED CO[C@@H]1CN(Cc2nncn2C)C[C@H]1NC(=O)C#CC(C)C 1212231421 ZHMKNNJGUDLNCI-CHWSQXEVSA-N 305.382 -0.210 30 20 DBED COCC#CCN1C[C@@H](NC(=O)c2cncn2C)[C@H](OC)C1 1213129477 SSWLCZYECFNJQE-TZMCWYRMSA-N 306.366 -0.501 30 20 DBED C=CCN1C[C@@H](NC(=O)[C@H](CCC)S(N)(=O)=O)[C@H](OC)C1 1213217570 YQQFDQTZQZCUAX-UTUOFQBUSA-N 319.427 -0.555 30 20 DBED C=CCN1C[C@@H](NC(=O)COCc2nncn2C)[C@H](OC)C1 1213651814 KHOMBPMORAHBHL-VXGBXAGGSA-N 309.370 -0.667 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@@H](C)CN2CCOCC2)[C@H](OC)C1 1213863101 CTVKOEIBZFTFDE-RRFJBIMHSA-N 309.410 -0.597 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C2[C@@H]3CCCC[C@@H]23)C1 1219416036 PYFOZCZRWPOIJJ-SYQHCUMBSA-N 321.421 -0.114 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2cc[nH]c2CC)C1 1219550865 KIYZTGQRVJRLFB-KGLIPLIRSA-N 318.377 -0.899 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)c2ccsn2)C1 1219860803 UIVKOBRIDWVXBE-JLLWLGSASA-N 322.390 -0.944 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)Cc2cn(CC)nn2)C1 1220045566 BDFMJOFVOZYYFJ-KGLIPLIRSA-N 323.397 -0.796 30 20 DBED C=CCCn1cc(C(=O)N[C@@H]2CN(CCOCC)C[C@@H]2O)nn1 1220514737 CSKQIFNKZKSNKP-OCCSQVGLSA-N 323.397 -0.334 30 20 DBED COCC[C@@H](C)C(=O)N1C[C@H]2CCN(CC(=O)NCC#N)C[C@H]21 1222033140 JFJAZWIYPGFWST-MGPQQGTHSA-N 322.409 -0.169 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1COCCO1 1224969892 ZSYJBOMUWSIJIQ-JHJVBQTASA-N 324.381 -0.941 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCC(NC(=O)[C@H]2COC(=O)N2)CC1 1227131821 PETQSFMVIVBQEW-ZYHUDNBSSA-N 324.381 -0.634 30 20 DBED C=CCO[C@H](C)C(=O)NC1CCN(CC(=O)NC(N)=O)CC1 1230407827 ZOSZILBKZPBRBM-SNVBAGLBSA-N 312.370 -0.647 30 20 DBED C#CCN(CCCNC(=O)c1nnn(C)n1)Cc1cccnc1 1230818538 VAKIJCFRPKJUJU-UHFFFAOYSA-N 313.365 -0.140 30 20 DBED N#CCC(=O)N1CCC(C(=O)NCCCN2CCOCC2)CC1 1255133363 MIQHUARQJQEGRN-UHFFFAOYSA-N 322.409 -0.023 30 20 DBED O=C1CNC(=O)N1CC/N=C1/NS(=O)(=O)c2ccccc21 1318514929 PFEWEYROIJHUSR-UHFFFAOYSA-N 308.319 -0.723 30 20 DBED N#CCNC(=O)CNC[C@H]1CCCN1C(=O)c1cscn1 1319059067 ZOANBNOLLZLFHP-SNVBAGLBSA-N 307.379 -0.023 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)Nc1c(OC)ncnc1N(C)C 1320301705 HTKJOEASEHRXGQ-VIFPVBQESA-N 323.353 -0.193 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)NCCCN1CCCCC1=O 1323782912 WKGJSDGTJCYLNI-GFCCVEGCSA-N 311.382 -0.178 30 20 DBED C#CCN1CCN(S(=O)(=O)c2cnc3c(cnn3C)c2)CC1 1324496262 RABQSGOXLMTECH-UHFFFAOYSA-N 319.390 -0.092 30 20 DBED Cn1nc2c(c1NC(=O)C(=O)N1CCO[C@@H](C#N)C1)CCC2 1324549138 ABRCEOFHPVWUOR-VIFPVBQESA-N 303.322 -0.402 30 20 DBED C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@](C)(C#N)C2)C[C@H](CO)O1 1325064001 FREOKNPDJHLZEC-JMSVASOKSA-N 309.366 -0.253 30 20 DBED C#C[C@@H](NC(=O)C(=O)N[C@H]1C[C@@H](C(=O)OC)C1)[C@H]1CCCO1 1325716687 LEGBABMPTFDGEZ-WRWGMCAJSA-N 308.334 -0.649 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)CCN2C(=O)CCNC2=S)C1 1326811713 HGMSCFCEWPKPSC-CYBMUJFWSA-N 310.379 -0.640 30 20 DBED C[C@@H](O)C[C@@H]1CCCN1C(=O)C(=O)NC1CCN(CC#N)CC1 1328685028 LVUSPJUFNZJHDO-OCCSQVGLSA-N 322.409 -0.148 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CCC[C@H](CO)[C@@H]2C)nn1 1329222991 NPOABBWTHUAZRE-NWDGAFQWSA-N 321.381 -0.300 30 20 DBED C[C@@H](NC(=O)C(=O)N1CC[C@](O)(CC#N)C1)c1ccn(C)n1 1329372036 RWUMHOHPRMUYTB-QMTHXVAHSA-N 305.338 -0.526 30 20 DBED CN1CCC[C@@H](NC(=O)C(=O)N2CCC[C@H](CC#N)C2)C1=O 1331046915 FTFZUJCONMKMDC-VXGBXAGGSA-N 306.366 -0.124 30 20 DBED Cc1c([C@H](C)NC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)cnn1C 1332204227 URWBLTJKKLOEFJ-BONVTDFDSA-N 319.365 -0.217 30 20 DBED C=CCNC(=O)CNC(=O)CCn1cnc2c(N)ncnc21 1334372905 MNMVSZQQLLRRDX-UHFFFAOYSA-N 303.326 -0.783 30 20 DBED C#CCN(CC#CC)c1nnc(CNS(=O)(=O)CC)n1C 1338073174 POITZNGDXZRTMT-UHFFFAOYSA-N 309.395 -0.283 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CCN(C)C(C)(C)C2)nn1 1338745243 MXEKSLHGYHFJPS-UHFFFAOYSA-N 320.397 -0.367 30 20 DBED C#C[C@@H](NC(=O)C(=O)NCCn1cnnc1CC)[C@H]1CCCO1 1342540877 OXRMYNGBHXBTPT-VXGBXAGGSA-N 319.365 -0.746 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N2CC(=O)N[C@@H]3CCCC[C@H]32)CCO1 1348209445 YXRXCVPPIUFILX-IJLUTSLNSA-N 320.349 -0.993 30 20 DBED CC#CC[C@@H](CO)NC(=O)C(=O)Nc1ccn(CCOC)n1 1349155876 LKWYGVPMEMCJDZ-NSHDSACASA-N 308.338 -0.642 30 20 DBED CCOC(=O)CN(CC(N)=O)C(=O)CNc1ccc(C#N)cn1 1362079059 OMQGZXLMYBFFSD-UHFFFAOYSA-N 319.321 -0.758 30 20 DBED N#Cc1cn(CCC(=O)N2CCC[C@H](CO)CC2)c(=O)nc1O 1362660345 ZCNYEAPBZLKPMY-NSHDSACASA-N 320.349 -0.168 30 20 DBED CN(CCC#N)S(=O)(=O)N1CCCC[C@H]1CS(N)(=O)=O 1364037510 XHMOHJDZUUNIAV-JTQLQIEISA-N 324.428 -0.780 30 20 DBED CN(Cc1noc(C2CC2)n1)c1[nH]c(=O)n(C)c(=O)c1C#N 1364188146 FXPHQGWUOGVJDM-UHFFFAOYSA-N 302.294 -0.158 30 20 DBED N#Cc1cccc(CNC(=O)Cn2nc(C(N)=O)ccc2=O)c1 1364611863 QMJHYIUOVFYPIN-UHFFFAOYSA-N 311.301 -0.470 30 20 DBED COC(=O)[C@](C)(CO)NS(=O)(=O)c1ccc(C#N)c(F)c1 1364884014 LHQJUQMWWNFLBJ-LBPRGKRZSA-N 316.310 -0.100 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CCN(C(=O)c2cc(C(N)=O)c[nH]2)C1 1372091780 KUHOHZKBEMYRFM-KOLCDFICSA-N 317.349 -0.054 30 20 DBED CC(C)S(=O)(=O)CC(=O)N[C@H]1CCN(C(=O)[C@H](C)C#N)C1 1372520295 DSXUMHIXSUPBQL-MNOVXSKESA-N 315.395 -0.314 30 20 DBED CCCS(=O)(=O)CC(=O)N1CC(CNC(=O)[C@@H](C)C#N)C1 1374896732 CEHHTMGHYYYSIL-JTQLQIEISA-N 315.395 -0.455 30 20 DBED COC(=O)NCC(=O)N(C)C[C@@H](C)NC(=O)c1c[nH]c(C#N)c1 1383659008 AIBVUAVBBXKGLE-SECBINFHSA-N 321.337 -0.181 30 20 DBED C[C@H](C#N)C(=O)NCC1CN(C(=O)[C@H]2CCCc3nn[nH]c32)C1 1387925572 QNBKBYKZCHXPRL-KOLCDFICSA-N 316.365 -0.041 30 20 DBED CNC(=O)NCC(=O)N(C)C[C@@H](C)NC(=O)c1c[nH]c(C#N)c1 1395591489 AXZWFFNANAXODJ-SECBINFHSA-N 320.353 -0.608 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)CCc2cncnc2)C1 1396382101 MBPLHBSPIMXHKD-RAIGVLPGSA-N 317.349 -0.743 30 20 DBED CCNC(=O)CCC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H](C)C#N)C1 1417438592 UNZTVNHUFYOXLP-NHYWBVRUSA-N 324.381 -0.858 30 20 DBED CNC(=O)C[C@@H](C)NC(=O)CNC(=O)c1ccc(C#N)cc1 1417869206 DZFDMVOHXWNPKW-SNVBAGLBSA-N 302.334 -0.071 30 20 DBED CCN(CCC#N)C(=O)CNC[C@@H](O)CNC(=O)C(C)(C)C 1420197498 CDDAKHGVGOQJNV-GFCCVEGCSA-N 312.414 -0.139 30 20 DBED C=C(Cl)CN[C@H](C)CN(C)C(=O)Cn1cnc(C(N)=O)n1 1423052522 VLEVVWNMINIBAV-SECBINFHSA-N 314.777 -0.434 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@@H](C)CNC(=O)Cn1ccc(O)nc1=O 1426695851 HKVBQCQCKHGZLB-UWVGGRQHSA-N 321.337 -0.928 30 20 DBED COCC(=O)N(C)CC(=O)N(C)C[C@@H]1CCN1C(=O)[C@H](C)C#N 1426779542 YDIYDMCDNWVJAU-NEPJUHHUSA-N 324.381 -0.690 30 20 DBED COC(=O)C[C@H]1C(=O)NCCN1C(=O)c1cc(C#N)ccn1 1433604481 CTBITCHKYIQZOM-NSHDSACASA-N 302.290 -0.543 30 20 DBED C=C(Cl)CN1CC(O)(CNC(=O)c2nc3ncccn3n2)C1 1440082732 AAQVBAQWLQRTEM-UHFFFAOYSA-N 322.756 -0.347 30 20 DBED CCn1cc(C(=O)N(C)CCNC(=O)c2cc(C#N)c[nH]2)nn1 1448782008 JJMZMOWVLQDYRF-UHFFFAOYSA-N 315.337 0.000 30 20 DBED CCN(CCNC(=O)[C@H](C)C#N)C(=O)c1cc(=O)n(C)cn1 1449507119 HZBIFNPFUUMJGM-SNVBAGLBSA-N 305.338 -0.482 30 20 DBED Cc1ccncc1CC(=O)N1CC[C@H](NCC(=O)NCC#N)C1 1480111902 RKMPZSUNZXWKQL-AWEZNQCLSA-N 315.377 -0.237 30 20 DBED C[C@H](CC(N)=O)C(=O)N1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 1491006799 JEAMFSNDBKBFKQ-SNVBAGLBSA-N 317.349 -0.318 30 20 DBED C[C@H](CNC(=O)CS(=O)(=O)C(C)(C)C)NC(=O)[C@H](C)C#N 1494875291 REYUWWBODXJRDK-NXEZZACHSA-N 317.411 -0.020 30 20 DBED CC(=O)NCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C#N)[nH]1 1498725047 LQDRAYIOEIRMSN-RYUDHWBXSA-N 315.333 -0.552 30 20 DBED COC(=O)[C@@H]1CN(C(=O)c2cnccc2C#N)C[C@H]1C(=O)O 1571080696 ZYTXWUIQUGCLIS-GHMZBOCLSA-N 303.274 -0.101 30 20 DBED N#Cc1cc(CS(=O)(=O)NCC(=O)NCC(=O)O)cs1 1571133212 JQCIXLLMOXIZIL-UHFFFAOYSA-N 317.348 -0.760 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H](C)CN=c1cc[nH]c(-c2nn[nH]n2)n1 1573558830 PYBPPNYZQMAROG-RKDXNWHRSA-N 315.341 -0.503 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@H](CNCC(=O)NCc2cnn[nH]2)C1 1575177881 MRWGTPXPOMGGAL-DCAQKATOSA-N 319.369 -0.935 30 20 DBED CCC[C@H](NC(=O)Cn1cc(C#N)c(O)nc1=O)c1cnn[nH]1 1576360411 VJRGTXIUBTVVIN-VIFPVBQESA-N 317.309 -0.404 30 20 DBED Cn1nnc2c1CC[C@H](NC(=O)C1CC3(CNC[C@@H]3C#N)C1)C2 1580017517 SYJMVXQMBFGHHZ-SLMGRZLQSA-N 314.393 -0.072 30 20 DBED C=CCN1CC[C@H](N(C)Cn2nc(C(=O)O)ccc2=O)C1=O 1588840129 ZVLGDODENZDUMK-NSHDSACASA-N 306.322 -0.382 30 20 DBED CN(C(=O)Cn1cnc(-c2nn[nH]n2)n1)[C@@H]1CCC[C@H]1C#N 1590986352 PCTMNKQVDOMLCW-DTWKUNHWSA-N 301.314 -0.391 30 20 DBED N#CCN1CC[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)[C@@H]2C1 1592678167 QSMJDWKFVNKSQY-BXKDBHETSA-N 312.337 -0.135 30 20 DBED N#Cc1cn(CC(=O)O)c(=O)n(C[C@H]2CC[C@H](C3CC3)O2)c1=O 1594632840 DSFBVHLGRJTOBN-VXGBXAGGSA-N 319.317 -0.076 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N1C[C@@H](C(=O)O)O[C@H](C)C1 1596230980 FKKBXBNTYBRWCB-AXFHLTTASA-N 319.383 -0.113 30 20 DBED CCOC(=O)c1cnn(CCc2cn(CC(=O)O)nn2)c1C#N 1596744802 VRVRHDIGOYJMHQ-UHFFFAOYSA-N 318.293 -0.150 30 20 DBED N#Cc1cn(CCC(=O)NC[C@H]2C[C@H]2C(=O)O)c(=O)nc1O 1601129253 SXBCAQQDCGEUQJ-VXNVDRBHSA-N 306.278 -0.952 30 20 DBED C#CCN(CC(=O)O)c1nnc([C@]2(C)CNC(=O)C2)n1CC 1602700997 RBWLONMWQMWFKG-AWEZNQCLSA-N 305.338 -0.400 30 20 DBED C=C(Br)Cn1nnnc1N1CCO[C@@H](C(=O)O)C1 1602744565 FTZUZAKPDGZCOO-SSDOTTSWSA-N 318.131 -0.129 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@]2(C)C(=O)O)C1=O 1602894633 PDHWMFBOQCHAGE-AWEZNQCLSA-N 323.305 -0.571 30 20 DBED C=CCOC[C@H](NC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)O)O1)C(=O)OC 1602908751 DMJKVWHNHBEXEE-LMLFDSFASA-N 315.322 -0.275 30 20 DBED C[C@H](C(=O)NCC(=O)O)N1CCN(c2ncccc2C#N)CC1 1603162594 XHAUZEJGCJVVDJ-LLVKDONJSA-N 317.349 -0.335 30 20 DBED C=CCOCCN[C@H]1CCN(C(=O)CN2CCN(C)C(=O)C2)C1 1731646607 UOWZGDCGWQGSSY-AWEZNQCLSA-N 324.425 -0.847 30 20 DBED C#CCNC(=O)CN[C@@H](CNC(=O)C(C)(C)NC(C)=O)C1CC1 1752489596 FSQOZLFRLZVNEP-ZDUSSCGKSA-N 322.409 -0.865 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H]1C[C@@H](NCc2nc(N(C)C)no2)C1 1752731995 WWAKKOOFYOAFIY-SDDRHHMPSA-N 321.381 -0.089 30 20 DBED C#CCNC(=O)CN[C@@H](C)CNC(=O)c1cn(C)nc1CC 1752881175 VAZDKIHNFUXQHG-NSHDSACASA-N 305.382 -0.560 30 20 DBED C#CCO[C@@H](C)C(=O)NCCN(C)Cc1nnc2n1CCOC2 1753048796 FKGGUFOSQJJBIZ-LBPRGKRZSA-N 321.381 -0.605 30 20 DBED C=CCN1CC[C@@H](CNC(=O)CN2C(=O)C(=O)N(C)C2=O)C1 1753136152 STRDPEJGVGVHQY-JTQLQIEISA-N 308.338 -0.969 30 20 DBED C=CCN1CC[C@H](NCCN(C)C(=O)[C@H]2CCCN2C)C1=O 1753176426 PLJQNSNJNLIWIP-UONOGXRCSA-N 308.426 -0.085 30 20 DBED CN(CCNCC(=O)NC(N)=O)C(=O)CC#Cc1ccccc1 1753263974 CZXFYFYWEQUVQZ-UHFFFAOYSA-N 316.361 -0.329 30 20 DBED C#CCNC(=O)CN1CC(CNC(=O)[C@@H](C)OCC2CC2)C1 1753397230 JYBBOKGWYNFQPE-GFCCVEGCSA-N 307.394 -0.401 30 20 DBED C#CCNC(=O)CNC[C@](C)(NC(=O)[C@H]1CCOC1)C1CC1 1753514709 NGMPKXITUGUSBK-LRDDRELGSA-N 307.394 -0.353 30 20 DBED C[C@@H](CNCC(=O)NC(=O)NC1CC1)CNC(=O)C#CC1CC1 1753613249 TWGBBYPDBPOGKD-NSHDSACASA-N 320.393 -0.270 30 20 DBED COCC#CCNC[C@@H](C)CNC(=O)c1cc2n(n1)CCO2 1753617870 AKGODULQGDGNHJ-GFCCVEGCSA-N 306.366 -0.119 30 20 DBED C#CCNC[C@H]1[C@@H](C)CCCN1C(=O)CS(=O)(=O)N(C)C 1753814349 PRZVMLRRNBFCHR-STQMWFEESA-N 315.439 -0.272 30 20 DBED C=CCNC(=O)[C@@H](C)N(C)CCN(C)C(=O)[C@H]1COCCO1 1753847384 XVHOKLCVAWUDFT-CHWSQXEVSA-N 313.398 -0.517 30 20 DBED COCC(=O)N(C)CC(=O)N1CC[C@@H]2[C@H](CCN2CC#N)C1 1753873919 WLGVPYYFHGBQIS-CHWSQXEVSA-N 308.382 -0.462 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC(N(C)C(=O)Cc2cccnc2)C1 1754573253 HJRZQYIAPBZPOB-CYBMUJFWSA-N 314.389 -0.095 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC[C@](C)(CNCc2nnn(C)n2)C1 1754692139 HVJLAWMILGPAOV-CABCVRRESA-N 322.413 -0.135 30 20 DBED C=CCCC(=O)N[C@]1(CO)CCCN(CC(=O)NC(N)=O)C1 1754853375 ZBCJZLXNXISSOH-CQSZACIVSA-N 312.370 -0.909 30 20 DBED C#CCN1CCC[C@H](NC(=O)[C@@H](C)NS(=O)(=O)CC)CC1 1755024653 FRXYZSDEFRCBEL-OLZOCXBDSA-N 315.439 -0.082 30 20 DBED Cc1nonc1CC(=O)N[C@H](C)[C@H](C)NCC(=O)NCC#N 1755261637 GEGHGWVMFZRPEV-DTWKUNHWSA-N 308.342 -0.957 30 20 DBED C#CCN1CC(CCO)(NC(=O)C(C)(C)NC(=O)NCCC)C1 1755344846 VVXULCIHHTXNHV-UHFFFAOYSA-N 324.425 -0.340 30 20 DBED C#CCCN(C)CCOCCNC(=O)c1ccc(=O)n(C)n1 1755545981 IALOUMHUSOIKTJ-UHFFFAOYSA-N 306.366 -0.518 30 20 DBED COCC#CCNC[C@@H](O)CN(C)C(=O)Cc1cnc(C)o1 1755780953 PWUJUHWPLILVDX-CYBMUJFWSA-N 309.366 -0.416 30 20 DBED C#CCN(C)C[C@@H](O)CN(C)C(=O)c1ccc2nn[nH]c2n1 1755801642 GEGCDJQKFWBINP-SNVBAGLBSA-N 302.338 -0.649 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H](CO)NC(=O)c1ccnc(C)c1 1756521155 KPZQNLQGEICEFI-OCCSQVGLSA-N 319.361 -0.365 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H](CO)NC(=O)c1c[nH]c(C#N)c1 1756521604 TWVRYCPJBCATKZ-GXFFZTMASA-N 318.333 -0.868 30 20 DBED CC#CCCCC(=O)N[C@@H](CO)CNC(=O)[C@]1(C)CCC(=O)N1 1756549135 STTGPXSJPBKWSO-WBMJQRKESA-N 323.393 -0.558 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(C(=O)CN2CCCC2)C[C@@H]1O 1757171409 QWXGITFIDVILCW-KGLIPLIRSA-N 307.394 -0.571 30 20 DBED CNS(=O)(=O)N1CCN(c2nc3ccccn3c2C#N)CC1 1772117452 NGNRFMLZLFWDBP-UHFFFAOYSA-N 320.378 -0.208 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)n1cccn1)CCO2 1783053642 NHGHWXFFIBLJIC-CZUORRHYSA-N 316.361 -0.093 30 20 DBED C/C=C(/C)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783566702 ZGKKOSIHLSJEHH-DIBSAPDKSA-N 320.345 -0.130 30 20 DBED C[C@@H](S)C(=O)N1CCCC12CN(C(=O)[C@@H]1CNC(=O)C1)C2 1846370696 FYNRFJHEOJGGOB-ZJUUUORDSA-N 311.407 -0.356 30 20 DBED N#Cc1ccc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)O)cc1 21812547 FDYBEUKZQWERQI-SNVBAGLBSA-N 311.319 -0.445 30 20 DBED C[C@H](CNc1c(C#N)c(=O)n(C)c(=O)n1C)Cn1ccnc1 264016936 NCQYUYZTPRNSOQ-SNVBAGLBSA-N 302.338 -0.100 30 20 DBED C[C@@H](CC#N)N(C)C(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 266374353 RZZGNEYNJPMMNU-YQPPGCHHSA-N 305.334 -0.091 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCCC[C@@H]2O)C1=O 270265470 KMNCLCIBFPLKKL-UWVGGRQHSA-N 309.322 -0.617 30 20 DBED CCN(C[C@@H](C)C#N)C(=O)CN1CCC[C@@]2(C1)NC(=O)NC2=O 279053185 KSKDXOVUUQVQGS-NHYWBVRUSA-N 321.381 -0.331 30 20 DBED CCN1CCN(CC(=O)Nc2[nH]nc(C)c2C#N)C(=O)C1=O 287991429 KYNUCHLGFZSSGD-UHFFFAOYSA-N 304.310 -0.781 30 20 DBED C=CCCOCCNC(=O)C(=O)N(CC)CCOCCO 289490859 YGDWHVBAHIEBTR-UHFFFAOYSA-N 302.371 -0.447 30 20 DBED C#Cc1ccc(CN2CCN(C(=O)Cn3cnnn3)CC2)cc1 289864668 QVWUMMYSQORNTF-UHFFFAOYSA-N 310.361 -0.001 30 20 DBED C#CCN(CC)C(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 299154821 VEYAQYSVZMSXGI-NEPJUHHUSA-N 312.391 -0.496 30 20 DBED C[C@H](CO[C@@H]1CCOC1)/N=C(/O)N1CC[C@@H](S(N)(=O)=O)C1 328643733 AJTUFAPZAQPBLN-GMTAPVOTSA-N 321.399 -0.543 30 20 DBED CO[C@@H]1C[C@@H](c2nc[nH]n2)N(/C(O)=N/[C@H]2CCN(C)C2=O)C1 329078846 QQJGYXYNLBPCGX-UTLUCORTSA-N 308.342 -0.289 30 20 DBED O=C(C/N=C(/O)N[C@H]1CCc2nc[nH]c2C1)N1CCOCC1 329625946 SZHDDRINVHHEMR-JTQLQIEISA-N 307.354 -0.371 30 20 DBED O=C1COCCN1C/C(O)=N/C[C@@H]1CCCCS1(=O)=O 329866665 VCIWEZJPFDLWPD-JTQLQIEISA-N 304.368 -0.231 30 20 DBED CN1CCO[C@@H]2CN(/C(O)=N/CC3(S(C)(=O)=O)CC3)C[C@@H]21 329938328 AEWUZIYGPVPZDM-WDEREUQCSA-N 317.411 -0.508 30 20 DBED Cn1nnc(C/N=C(/O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)n1 330187051 SPPMGLAHCCXFGI-DTORHVGOSA-N 306.326 -0.158 30 20 DBED C[C@@H](O)CC/N=C(/O)NCC1CCN(S(C)(=O)=O)CC1 330422498 HTEVRCGSVNVBED-SNVBAGLBSA-N 307.416 -0.068 30 20 DBED CN(C)C(=O)CNC(=O)C(=O)NCC#Cc1cccc(F)c1 338848368 FUMSFGVWKPDPGT-UHFFFAOYSA-N 305.309 -0.502 30 20 DBED C[C@@H]1C[C@H](CO)CCN1S(=O)(=O)N1CCO[C@H](C#N)C1 341958591 PMAUAOLHTHZGJD-IJLUTSLNSA-N 303.384 -0.452 30 20 DBED C[C@H]1CCNC(=O)[C@@H]1NCCS(=O)(=O)c1ccc(C#N)cn1 343938897 LPPDNWJNFXMBCI-GXFFZTMASA-N 322.390 -0.159 30 20 DBED COCCn1cc(S(=O)(=O)N(CC#N)CC(=O)OC)cn1 351690804 DKQIVYRWEMIFFN-UHFFFAOYSA-N 316.339 -0.783 30 20 DBED N#C[C@H]1CN(S(=O)(=O)CCCN2CCOCC2)CCO1 361559529 SDTFOBICADUDPC-LBPRGKRZSA-N 303.384 -0.737 30 20 DBED C[C@@H]1OCC[C@]12CN(C(=O)NCC(=O)NCC#N)C[C@@H](C)O2 377047587 HFWOMQBOROZHHK-SUNKGSAMSA-N 310.354 -0.396 30 20 DBED N#CCC1(O)CN(C(=O)[C@@H]2COCCN2CC(F)(F)F)C1 377324316 XCBJLSNXYZTEJR-VIFPVBQESA-N 307.272 -0.264 30 20 DBED COC(=O)[C@@H](CC1CC1)NS(=O)(=O)N1CCO[C@H](C#N)C1 416598116 ZLBIDLUKCNQCRD-GHMZBOCLSA-N 317.367 -0.613 30 20 DBED CN(CCN)C(=O)C(=O)N1CC(Oc2ccc(C#N)cc2)C1 423549503 AALJJKNJAWAXIA-UHFFFAOYSA-N 302.334 -0.435 30 20 DBED C=CCCn1cc(C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)O)nn1 424223184 HFBWHYVUKPSDRL-JTQLQIEISA-N 323.353 -0.094 30 20 DBED COC(=O)[C@H]1CNC(=O)CN1S(=O)(=O)c1ccccc1C#N 447933167 SSUVSHVXRFJCRW-SNVBAGLBSA-N 323.330 -0.780 30 20 DBED C#CCNC(=O)C1CCN(Cc2nc(N)nc(N(C)C)n2)CC1 491191814 IEHUFQDQHMYVJK-UHFFFAOYSA-N 317.397 -0.519 30 20 DBED C#CCn1ccnc1C=NNC(=S)NCCN1CCOCC1 491304684 GPPALPXRXXIJHR-UHFFFAOYSA-N 320.422 -0.354 30 20 DBED C#C[C@@H](CC)NC(=O)C(=O)Nc1cnn(CC(=O)OC)c1C 491709841 SHISVMDSLTXTPS-JTQLQIEISA-N 306.322 -0.169 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)CCCCN(C)C)CC1 491753603 ZSXJNUJBRVIGLP-UHFFFAOYSA-N 308.426 -0.388 30 20 DBED N#CCNC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1 493631968 RNWWGXXMSUPKBV-NSHDSACASA-N 304.306 -0.203 30 20 DBED CC(=O)NCCN(C)CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 519550727 XFVGLKDUXDOXHW-OAHLLOKOSA-N 323.441 -0.253 30 20 DBED C[C@@H](C#N)CNS(=O)(=O)c1cccc(S(N)(=O)=O)c1 531303342 YODPTENRAPJHAJ-QMMMGPOBSA-N 303.365 -0.228 30 20 DBED C[C@H](C(=O)N[C@H]1CC(=O)N2CCCC[C@H]12)n1cnc(C#N)n1 554754294 PWBOSXOCLAEUKZ-OUAUKWLOSA-N 302.338 -0.020 30 20 DBED CCOC[C@H](NS(=O)(=O)N(CCC#N)CCOC)C(=O)O 577854080 BYECXUPAOAWMCP-JTQLQIEISA-N 323.371 -0.827 30 20 DBED C[C@@]1(O)CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1 582390833 BPRIITGORXXHIO-CQSZACIVSA-N 323.374 -0.180 30 20 DBED CC(C)C(=O)N[C@@H](CO)C(=O)N1CCN([C@@H](C#N)C(C)C)CC1 589835166 VOGVIQWYHKPTEQ-KBPBESRZSA-N 324.425 -0.188 30 20 DBED CC#CC[C@@H](CO)NC(=O)NC[C@@H](C)CN1CCN(C)CC1 645326084 IHGDHHWOFCLZJC-CABCVRRESA-N 310.442 -0.057 30 20 DBED CC#CC[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)CNC(C)=O 649188988 WMVMPEGECLIYCS-OLZOCXBDSA-N 309.366 -0.996 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)C(=O)NC2CC2)C1=O 726042625 LSDUOENQKLKCSG-MRVPVSSYSA-N 323.305 -0.827 30 20 DBED CCN(CC(=O)NC)CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 774567789 UZBNMSHADBPNFJ-AWEZNQCLSA-N 323.441 -0.253 30 20 DBED CS(=O)(=O)NCCC(=O)OCC(=O)NC1(C#N)CCC1 784203481 APQZFAYBNHGTHM-UHFFFAOYSA-N 303.340 -0.969 30 20 DBED C#CCNS(=O)(=O)N1CCN(Cc2ccc(F)cn2)CC1 787269717 BHKHIWMBVYDCJI-UHFFFAOYSA-N 312.370 -0.194 30 20 DBED CC1(C#N)CN(S(=O)(=O)N2CCC3(CC2)OCCO3)C1 795380182 WITOHPUDFZXOPW-UHFFFAOYSA-N 301.368 -0.084 30 20 DBED C#CCCN1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 800020069 SYJUYDQHUFJBNB-ZDUSSCGKSA-N 312.395 -0.904 30 20 DBED N#CCNC(=O)CNC(=O)[C@@H]1CCCN1C(=O)C(F)(F)F 804820960 UGCVPVINQHKLKJ-ZETCQYMHSA-N 306.244 -0.704 30 20 DBED C=CCN1CCC(NC(=O)C(=O)N2CC(=O)N(C)C[C@@H]2C)CC1 804890114 MDHMCNUVHIXOCX-LBPRGKRZSA-N 322.409 -0.558 30 20 DBED C=C[C@H](O)C(=O)OCC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O 814548800 XSOFOXIURSOFNE-NSHDSACASA-N 318.285 -0.059 30 20 DBED C#CCOCCNc1ccc(S(N)(=O)=O)cc1-c1nn[nH]n1 823856207 MSDWWUIRFXZFBS-UHFFFAOYSA-N 322.350 -0.424 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)c2nccnc2C)CC1 831585071 RZGILOLKQYZTDC-UHFFFAOYSA-N 323.378 -0.990 30 20 DBED N#C[C@@H]1CNC[C@@H]1NC(=O)CCOc1ccc(C(N)=O)cc1 843459494 FIVFMDGKRYAEFN-YPMHNXCESA-N 302.334 -0.218 30 20 DBED C#CCOCCC(=O)NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 847892479 CDGVOHUKGYGMQE-UHFFFAOYSA-N 313.291 -0.165 30 20 DBED CN(C(=O)COC(=O)[C@@H]1CCCS1(=O)=O)C(C)(C)C#N 848857530 ANXREAIUJAESLL-VIFPVBQESA-N 302.352 -0.133 30 20 DBED CCN(CCC#N)C(=O)COC(=O)[C@@H]1CCCS1(=O)=O 848861130 YOSNLJVOEZZLEN-JTQLQIEISA-N 302.352 -0.131 30 20 DBED C#CC[C@@H](CO)NC(=O)CCCS(=O)(=O)N1CCCC1 854546593 IVSCPKWEWBLYQT-LBPRGKRZSA-N 302.396 -0.307 30 20 DBED C=CCNC(=O)[C@@H](C)OC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 860039690 HPKDDQRUDSZFQA-MNOVXSKESA-N 318.395 -0.108 30 20 DBED C#CCN1CCC[C@@H](NC(=O)c2cc(S(N)(=O)=O)cn2C)C1 923589252 PPNASSQFPPDLAC-LLVKDONJSA-N 324.406 -0.500 30 20 DBED N#Cc1cc(C(=O)NC[C@@H]2CCCCN2C(=O)CC(N)=O)c[nH]1 937300662 LPOHALOYAIDXQD-LBPRGKRZSA-N 317.349 -0.127 30 20 DBED CN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CCN(C(=O)c2nc[nH]n2)C1 939080632 DVSPFWSLGQRWIP-JTQLQIEISA-N 313.321 -0.009 30 20 DBED CO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1NC(=O)Cn1cccn1 941198549 ONPRTGITUZGHBY-IJLUTSLNSA-N 305.338 -0.615 30 20 DBED CO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1NC(=O)Cc1cnn(C)c1 941338145 OXWSBHVZLPODGJ-CYZMBNFOSA-N 319.365 -0.536 30 20 DBED Cc1ncc(C(=O)NC[C@@H]2CN(C(=O)[C@H](C)C#N)CCO2)n1C 944733351 JSWQYNQIRBZBET-ZYHUDNBSSA-N 319.365 -0.155 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(NC(=O)[C@@H]2CCNC(=O)C2)CC1 948096307 JMFVMACZXDPJHY-WDEREUQCSA-N 306.366 -0.221 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCCN(C(=O)COC)C2)nn1 949721102 NMYCOTXWDGMSIX-NSHDSACASA-N 307.354 -0.169 30 20 DBED N#Cc1ccc(CN2CCN(C(=O)[C@H]3CNC(=O)N3)CC2)cc1 949953173 DENHRIKGPQOUSB-CQSZACIVSA-N 313.361 -0.116 30 20 DBED C=CCn1cc(C(=O)N(C)C2CN(C(=O)[C@H](C)C#N)C2)nn1 954308054 JNVPXDPQCCVSIK-SNVBAGLBSA-N 302.338 -0.093 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cnn3c2OCCC3)C1 958220160 UKBAGNIANYDTSZ-WCQYABFASA-N 304.350 -0.679 30 20 DBED C=C(C)CN1C[C@@H](O)[C@@H](CNC(=O)c2ccc(C(N)=O)[nH]2)C1 958409529 UPFSZEPUIHMESU-GXFFZTMASA-N 306.366 -0.288 30 20 DBED CN(C)c1ccc(C(=O)NC[C@H]2CN(CC#N)C[C@H]2O)nn1 958598649 LJMYUKCATRZORL-CMPLNLGQSA-N 304.354 -0.911 30 20 DBED C#CCN1C[C@@H]2C(NC(=O)Cc3c(C)nc(O)nc3O)[C@H]2C1 962128692 IQTFZHFHOODRFL-QWRGUYRKSA-N 302.334 -0.582 30 20 DBED Cn1cncc1C(=O)NC[C@H]1COCCN1C(=O)C#CC1CC1 964252936 HAJOYPUEIASQKK-ZDUSSCGKSA-N 316.361 -0.209 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H](NC(=O)CN2CCOCC2)CC1 964847575 WCGQEXIAUNNYNV-KBPBESRZSA-N 322.409 -0.024 30 20 DBED C[C@H](C#N)C(=O)N1CC2(C[C@H](NC(=O)c3cnn[nH]3)CO2)C1 965744780 SQTHKQDYOZXQSM-BDAKNGLRSA-N 304.310 -0.936 30 20 DBED C#CCCN1CCO[C@]2(CCN(C(=O)[C@@H]3COCCO3)C2)C1 972275412 NSLCDZROEFNAGU-GOEBONIOSA-N 308.378 -0.272 30 20 DBED CC#CCN1CCO[C@]2(CCN(C(=O)Cn3nccn3)C2)C1 972396720 CESBOJNWWJQEGA-OAHLLOKOSA-N 303.366 -0.395 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2CCCN(C(=O)C(N)=O)C2)nc1 975432532 YGEBZJKLDBBWOX-LBPRGKRZSA-N 314.345 -0.483 30 20 DBED C=CCN1C[C@H]2[C@H](CNC(=O)c3cn(C)c(=O)n(C)c3=O)[C@H]2C1 978797744 ASLSUEVVLGMYEC-CNDDSTCGSA-N 318.377 -0.822 30 20 DBED C=C(C)CN1C[C@H]2[C@H](CNC(=O)c3cn(CC(N)=O)nn3)[C@H]2C1 979074532 DAJGXTOJDBWZPM-CNDDSTCGSA-N 318.381 -0.753 30 20 DBED C#CCN[C@H]1CCC[C@H](NC(=O)Cn2nc(C)n(C)c2=O)C1 981487070 QKJVZVJDVJAAGF-STQMWFEESA-N 305.382 -0.460 30 20 DBED C=CCN[C@@H]1CCN(C(=O)CN2CCCS2(=O)=O)[C@@H]1C 986335105 PTNOFBYCVHPRGI-VXGBXAGGSA-N 301.412 -0.213 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CCNC2=O)C1 992075166 UCYRTJQPXNACBL-AGIUHOORSA-N 321.377 -0.569 30 20 DBED CC#CCN1CCC[C@H](NC(=O)Cn2ccc(O)nc2=O)[C@@H]1C 993551413 BFLJDTUPHVYRPB-STQMWFEESA-N 318.377 -0.059 30 20 DBED C[C@@H]1OCCO[C@@H]1C(=O)NC1CN(C(=O)c2cc(C#N)c[nH]2)C1 994757007 FTBXMUJJFGTLTL-ZANVPECISA-N 318.333 -0.369 30 20 DBED CN1CC[C@H](C(=O)N2C[C@@H](NCC#N)C(C)(C)C2)S1(=O)=O 996401128 JUYPJGFTOPTWED-GHMZBOCLSA-N 314.411 -0.630 30 20 DBED CCn1ncc(C(=O)NCC2CN(C(=O)C#CC3CC3)C2)n1 1001731922 XVMFFIWVXRNVIY-UHFFFAOYSA-N 301.350 -0.100 30 20 DBED C=C(Cl)CN1CCC(NC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 1003710058 ZEKZXEGQVXJXCC-JTQLQIEISA-N 314.773 -0.082 30 20 DBED C#CCN1CCC(N(C)C(=O)c2cn(C)c(=O)nc2O)CC1 1006395731 LQNZNMNAYRHRKA-UHFFFAOYSA-N 304.350 -0.345 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCCN(CC(=O)NC)C2)nn1 1008795684 RBPBKLQBKULYBG-LLVKDONJSA-N 306.370 -0.596 30 20 DBED CC1(C)C(=O)NC(=O)N1CC(=O)N[C@@H]1CCCN(CC#N)C1 1009092550 ASPJFDNKARCQHC-SNVBAGLBSA-N 307.354 -0.579 30 20 DBED C#CCN1CC[C@H](NC(=O)[C@H]2COCCN2CC(F)F)C1 1015397561 KMRQKAFKNWAOIQ-NWDGAFQWSA-N 301.337 -0.224 30 20 DBED C=C(Cl)CN1CC[C@@H](NC(=O)CN2C(=O)CNC2=O)C1 1016200951 ARRNKNIYZUMHHH-SECBINFHSA-N 300.746 -0.519 30 20 DBED C=CCN1CC[C@@H](N[C@H]2CCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C2)C1=O 1019263451 HQPDPGDDNMXOAM-VQJWOFKYSA-N 319.405 -0.144 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCN(C(=O)[C@@H]3CCC(=O)NC3)C2)C1 1019367116 QEHWIFCNTBDLJK-NWDGAFQWSA-N 318.377 -0.267 30 20 DBED O=C(Cn1cnnn1)N1C[C@@H]2CCN(C(=O)C#CC3CC3)[C@@H]2C1 1021586229 PBRAHRJGFSQPCB-QWHCGFSZSA-N 314.349 -0.854 30 20 DBED N#Cc1ccccc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1 1022630066 LNBIPEKFMDEKSK-MJBXVCDLSA-N 313.361 -0.024 30 20 DBED N#Cc1c[nH]c(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccc[nH]3)C2)c1 1023041201 VFUHUEBCTGJXKT-CHWSQXEVSA-N 313.317 -0.170 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CN(C(=O)C3(CF)CC3)C[C@H]2O)c[nH]1 1023465702 DMRNUOBQLNDOLZ-VXGBXAGGSA-N 320.324 -0.062 30 20 DBED N#Cc1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ncc[nH]3)C2)[nH]1 1023628914 PXFHOWKCORCCSB-GHMZBOCLSA-N 314.305 -0.775 30 20 DBED Cn1nnc(C(=O)NCC2CN(Cc3ccc(C#N)cc3)C2)n1 1031904422 AYZGHSSHVHPBDR-UHFFFAOYSA-N 311.349 -0.056 30 20 DBED C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)CCn1ncn(C)c1=O 1032538189 MUQGAMLSRFIQNP-STQMWFEESA-N 305.382 -0.167 30 20 DBED C=C(C)CCN1CC[C@@H](N(C)C(=O)CN2CCNC(=O)C2)C1 1033328220 NJDYIAIVFLZXMH-CQSZACIVSA-N 308.426 -0.083 30 20 DBED C=CCN1CC[C@@H]2CN(C(=O)CN3C(=O)CN(C)C3=O)CC[C@@H]21 1036888880 QWYNLVYJFBROLA-OLZOCXBDSA-N 320.393 -0.011 30 20 DBED Cn1nc(C2CC2)nc1CC(=O)N[C@@H]1[C@H]2C[C@H]1N(CC#N)C2 1037730132 OHBUBYTWYUXDES-MISXGVKJSA-N 300.366 -0.053 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCN1Cc1nc(O)n[nH]1 1038368350 PJNAVILFFYQBPD-RYUDHWBXSA-N 318.381 -0.702 30 20 DBED CC(C)C#CC(=O)NC[C@]1(O)CCN(C(=O)c2cncnc2)C1 1039663601 FQZMEIGVZUFHKU-MRXNPFEDSA-N 316.361 -0.171 30 20 DBED C=CCCCC(=O)N1CC[C@](O)(CNC(=O)[C@H]2CNC(=O)N2)C1 1040726235 ZPCQAFAAOSILPV-ABAIWWIYSA-N 324.381 -0.896 30 20 DBED Cc1cnoc1C(=O)N1CC[C@](O)(CNC(=O)[C@H](C)C#N)C1 1040759284 GWIUFCKWRASFLR-OTYXRUKQSA-N 306.322 -0.164 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)[C@@]2(C)CNC(=O)C2)C1 1041969457 MQWLTOKAQCZEPD-CQSZACIVSA-N 309.366 -0.832 30 20 DBED C#CCN1CC[C@@H]2CCN(C(=O)c3cn(C)c(=O)cn3)C[C@@H]21 1042159929 IHDIIEWRYWPKAX-OCCSQVGLSA-N 300.362 -0.050 30 20 DBED CC#CCN1CC[C@H]2CCN(C(=O)CN3CCNC(=O)C3)C[C@H]21 1042183818 NBWMBENHYCKEJC-LSDHHAIUSA-N 318.421 -0.636 30 20 DBED Cn1cc(C(=O)N2CC[C@@H]3CCN(CC#N)[C@@H]3C2)n(C)c1=O 1042371924 WYARDYUBUFGTPJ-NWDGAFQWSA-N 303.366 -0.216 30 20 DBED C=C[C@@H](C)[C@H](C)C(=O)N1CC(O)(CNC(=O)c2cnnn2C)C1 1042857081 PZCYZRJRJMGOPH-MNOVXSKESA-N 321.381 -0.424 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)c2cscn2)C1 1043033123 RCFRNJVHIVZIMQ-UHFFFAOYSA-N 323.374 -0.514 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)C[C@@](C)(O)C=C)C1 1043033276 WCUOUEBXAFUFHB-HNNXBMFYSA-N 324.377 -0.957 30 20 DBED C=C[C@H](CC)CC(=O)N1CC(O)(CNC(=O)c2cnn(C)n2)C1 1043890462 LZGVDKHUCZZEIL-LLVKDONJSA-N 321.381 -0.280 30 20 DBED C[C@H](C#N)C(=O)N1CCN([C@H]2CCN(Cc3cnon3)C2)CC1 1046013221 VFMJUJJAEXUOAI-OCCSQVGLSA-N 318.381 -0.052 30 20 DBED C=CCN1CC[C@H](N2CCN(C(=O)[C@@H]3CN(C)CCO3)CC2)C1 1046014514 YSDYFLJVAJOJBF-HOTGVXAUSA-N 322.453 -0.279 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC(=O)N(C(C)C)C2)C1 1047398991 BADUNVZRPPAYKI-RDBSUJKOSA-N 307.394 -0.620 30 20 DBED C=C(C)CN1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CCN(C)C2=O)C1 1047417073 MFKUNGOFNJYQGE-RDBSUJKOSA-N 309.410 -0.066 30 20 DBED C=C1CC(C)(C(=O)N(C)[C@H]2CN([C@@H]3CCNC3=O)C[C@@H]2O)C1 1047516807 MDUMCGRHYKONIQ-AGIUHOORSA-N 307.394 -0.265 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CNC(C)=O)C1 1048071519 YNXXVBZUIRKLQS-RYUDHWBXSA-N 311.382 -0.635 30 20 DBED COCC(=O)N1CCC[C@@H](N(CCO)c2cnc(C#N)cn2)C1 1049132227 KZCBVDCBFUQIIK-CYBMUJFWSA-N 319.365 -0.216 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2oncc2C)C1 1049417752 AWHMGKMQCFKVHP-RYUDHWBXSA-N 323.349 -0.171 30 20 DBED C#CCCN1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H]1NC(=O)NC1=O 1049524842 BPTUEAVRWGZHTK-YNEHKIRRSA-N 318.377 -0.327 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)[C@@H]1CCc2nc(C)nn2C1 1051045927 ZWVLOSOVKZRFBJ-KGLIPLIRSA-N 317.393 -0.401 30 20 DBED Cc1nc2ccnn2cc1C(=O)NC[C@@H]1COCCN1CC#N 1051185819 AYWJIRJWMBRIMZ-GFCCVEGCSA-N 314.349 -0.008 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2COCCN2C[C@@H](C)O)nc1 1051215322 VHXSBSYYZORMJZ-OCCSQVGLSA-N 303.362 -0.126 30 20 DBED N#Cc1cnc(N2C[C@H](n3ccnn3)[C@H](NC(=O)C3CC3)C2)cn1 1051396058 HUKCFTREWYIQDT-OLZOCXBDSA-N 324.348 -0.104 30 20 DBED C#CCN1CCN([C@H]2CCN(C(=O)[C@H]3COCCN3C)C2)CC1 1052017351 GYMKTBHCNFGYGW-JKSUJKDBSA-N 320.437 -0.831 30 20 DBED C#CCOCCC(=O)N1C[C@H](CNC(=O)CC(N)=O)[C@@H](C)C1 1052592640 IFFHEAYEGYPKLL-RYUDHWBXSA-N 309.366 -0.888 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)c1cncnc1O)CCO2 1053300873 CDLHTPFMHHHINO-UHFFFAOYSA-N 302.334 -0.268 30 20 DBED C#CCN1CC2(C1)CN(C(=O)C[C@H]1CCCC(=O)N1)CCO2 1053334282 USJKXVJTIHPOML-CYBMUJFWSA-N 305.378 -0.408 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@@H]2CCC3(CN(CC(N)=O)C3)O2)c1 1053587683 IIFFXHMVLSIREX-NSHDSACASA-N 317.349 -0.665 30 20 DBED C#CCC1(C(=O)N2C[C@H]3CN(C(=O)C(N)=O)C[C@H]3C2)CCC1 1055365347 JBOGUIOQZYNVEM-TXEJJXNPSA-N 303.362 -0.418 30 20 DBED N#Cc1nccc(N2CCN(C(=O)CCn3ccnn3)CC2)n1 1055783575 VAWJVNRXTKANSI-UHFFFAOYSA-N 312.337 -0.321 30 20 DBED C[C@@H](C#N)C(=O)N[C@]1(CO)CCCN(C(=O)Cc2cnc[nH]2)C1 1056097849 WIXCCWDKFANHTK-XHDPSFHLSA-N 319.365 -0.418 30 20 DBED CN1CCC[C@@H]1C(=O)NC1[C@H]2CN(c3ccnc(C#N)n3)C[C@H]12 1056148375 BNTQODPSDZBXTF-SDDRHHMPSA-N 312.377 -0.007 30 20 DBED N#Cc1cncc(N2C[C@H]3C(NC(=O)C45CCN(CC4)C5)[C@@H]3C2)n1 1056267758 RISXROQGBPFQEK-CHWSQXEVSA-N 324.388 -0.005 30 20 DBED Cn1cncc1C(=O)NC1[C@@H]2CN(c3nccnc3C#N)C[C@@H]12 1056335376 GXYKYENQQFRGKT-NXEZZACHSA-N 309.333 -0.054 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)c1ccc(C(N)=O)o1 1057167314 LCBXBZQDOZVTBE-UHFFFAOYSA-N 323.349 -0.105 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)c1[nH]c(O)nc1C 1057172720 OSKMWRFZEXKLMW-UHFFFAOYSA-N 310.354 -0.059 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)CN(CC)CC 1057193996 WKSONZBPOMTCNQ-UHFFFAOYSA-N 315.414 -0.532 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)c1ccnn1C 1057439164 AAZAHTLQQDFNDU-UHFFFAOYSA-N 306.366 -0.226 30 20 DBED C=C[C@@](C)(O)CC(=O)N(CCO)CCNC(=O)c1ccn(C)n1 1057451277 IKBPKNVLWGGEMC-OAHLLOKOSA-N 324.381 -0.702 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)c1nccnc1N 1057516925 CRKXDHQHFCVMOB-UHFFFAOYSA-N 319.365 -0.731 30 20 DBED O=C(C[C@H]1CCC(=O)N1)NCCN(CCO)C(=O)C#CC1CC1 1057531386 MCMRGPHZKKAAIB-CYBMUJFWSA-N 321.377 -0.994 30 20 DBED CN1CC[C@H](C(=O)N(CCO)CCNC(=O)C#CC2CC2)C1 1057632129 HNHXAWQEMRRHOI-AWEZNQCLSA-N 307.394 -0.711 30 20 DBED C=C(C)CCC(=O)N(CCO)CCNC(=O)c1cnnn1C 1057804501 KGIJAKNYTZKFIX-UHFFFAOYSA-N 309.370 -0.278 30 20 DBED C=CCCOCC(=O)N(CCO)CCNC(=O)Cc1cnc[nH]1 1057920311 NVTDWZNDUNRGTL-UHFFFAOYSA-N 324.381 -0.518 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)c1ccc(=O)n(C)c1 1058061507 ZYEWQRKWWCFNTI-NSHDSACASA-N 320.349 -0.904 30 20 DBED N#Cc1nccnc1N1CC[C@H](NC(=O)[C@H]2COC(=O)N2)C1 1058350003 BBWMOZRNKONROX-WCBMZHEXSA-N 302.294 -0.848 30 20 DBED C=C(C)C[C@H](C)C(=O)N(CCO)CCNC(=O)c1nnn(C)n1 1058466173 HYLZFEHIBGRYJD-NSHDSACASA-N 324.385 -0.637 30 20 DBED CCn1nccc1C(=O)NCCN(CCO)C(=O)[C@H](C)C#N 1058653297 ROEFBYUGJDNCHN-LLVKDONJSA-N 307.354 -0.387 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1CCN(C(=O)[C@@H]2CCNC(=O)C2)C1 1058872363 MACBFBGKPVQFSA-YPMHNXCESA-N 313.361 -0.086 30 20 DBED C=CCCOCC(=O)NCCN(CCO)C(=O)Cc1cnc[nH]1 1058949328 RLQRMDNSNAKAIC-UHFFFAOYSA-N 324.381 -0.518 30 20 DBED CN1C[C@H](C(=O)N2CC[C@H](Nc3ccc(C#N)nn3)C2)CC1=O 1059097588 IJOUQTAOZOHPIA-PWSUYJOCSA-N 314.349 -0.161 30 20 DBED CC(=O)N1CC(C(=O)NCC[C@H]2CCN(C(=O)[C@@H](C)C#N)C2)C1 1060288549 BCYZGEWSNXGGLY-AAEUAGOBSA-N 320.393 -0.021 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCOC[C@@H]1CNC(=O)C(F)F 1061177527 GYCMGAQGVIZDRS-UWVGGRQHSA-N 304.293 -0.367 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@@H]1COCCN1C(C)=O 1061582240 HZKLWYIGTLXNTG-KGLIPLIRSA-N 311.382 -0.179 30 20 DBED C=CCCOCC(=O)NC[C@H]1CCCCN1C(=O)CC(N)=O 1062082473 DUYBPMUNJDYXED-GFCCVEGCSA-N 311.382 -0.048 30 20 DBED CC(C)C#CC(=O)N1CCCC[C@@H]1CNC(=O)[C@H]1CNC(=O)N1 1062198461 MCFVFOSQXBOKHT-CHWSQXEVSA-N 320.393 -0.176 30 20 DBED C#CCNC(=O)CC(=O)NC1(CNC(=O)[C@H]2C[C@H]2C)CCC1 1062436235 UTXTXWNYNZIRPW-NEPJUHHUSA-N 305.378 -0.063 30 20 DBED CN(C(=O)[C@@H]1CCC(=O)N1)[C@@H]1CCN(c2cncc(C#N)n2)C1 1062959946 LODOVYHGSYDLQR-NEPJUHHUSA-N 314.349 -0.336 30 20 DBED CC(C)C#CC(=O)NC1(CNC(=O)CCNC(N)=O)CCC1 1063002864 JZTJAAHFRNNFJG-UHFFFAOYSA-N 308.382 -0.141 30 20 DBED C=CCOCC(=O)N1CCO[C@H](CNC(=O)CCOC)C1 1064969562 FFBMSGUSVMCSPB-GFCCVEGCSA-N 300.355 -0.431 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCO[C@@H](CNC(=O)c2ccon2)C1 1065096330 DBAACRJNSPNIBS-XHDPSFHLSA-N 323.349 -0.041 30 20 DBED CC(C)C#CC(=O)N1CCO[C@H](CNC(=O)[C@H]2COC(=O)N2)C1 1065128816 JPSPGOQFXDHTNJ-VXGBXAGGSA-N 323.349 -0.902 30 20 DBED C#CCOCCC(=O)N1CCO[C@H](CNC(=O)[C@@H](C)OC)C1 1065150019 JUPFKENESLYOKE-CHWSQXEVSA-N 312.366 -0.595 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CN(C(=O)CCc2cn[nH]c2)CCO1 1065200455 BJZDEWDATFBLAM-DGCLKSJQSA-N 319.365 -0.154 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CN(C(=O)c2csnn2)CCO1 1065383249 ILYBHNBBTRADJE-BDAKNGLRSA-N 309.351 -0.345 30 20 DBED CN(C(=O)c1cnon1)[C@H]1CN(c2nccnc2C#N)C[C@@H]1O 1065599012 BIQJVKJAZZPWIH-QWRGUYRKSA-N 315.293 -0.947 30 20 DBED C[C@@H]1CN(C(=O)Cc2nc[nH]n2)C[C@@H]1Nc1ccc(C#N)nn1 1067144525 KPDFSFCRWYZCGW-KOLCDFICSA-N 312.337 -0.032 30 20 DBED C#CCOCCC(=O)N(C)CCCN(C)C(=O)[C@@H]1CCC(=O)N1 1067425337 CWFNHVDFNCMPFU-ZDUSSCGKSA-N 323.393 -0.388 30 20 DBED N#Cc1c[nH]ccc1=NCC1(O)CCN(C(=O)CC(N)=O)CC1 1067470822 DHOBLWHVCGTZDI-UHFFFAOYSA-N 317.349 -0.984 30 20 DBED C=CCCC(=O)N[C@@H]1COC2(C1)CN(C(=O)[C@H]1COC(=O)N1)C2 1068753027 KXXSEIOXLRBHCB-WDEREUQCSA-N 323.349 -0.453 30 20 DBED COc1nc(C(=O)N[C@@H]2CN(CC#N)C[C@@H]2n2ccnn2)co1 1069989184 DUGUBHDWWVJXNA-KOLCDFICSA-N 317.309 -0.546 30 20 DBED C[C@H](C#N)C(=O)NCc1ccc2c(c1)CN(C(=O)C(N)=O)C2 1070330471 JIENKJIERBHZKC-SECBINFHSA-N 300.318 -0.210 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CCCN(C(=O)CC(=O)NCC)C1 1070642711 SDTZECDQANNISP-CHWSQXEVSA-N 323.393 -0.342 30 20 DBED C#CCN1C[C@H](NC(=O)c2nccnc2C(N)=O)CC[C@@H]1C 1072058010 FIYLJXCTYGZCTE-WDEREUQCSA-N 301.350 -0.209 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)Cc2nc[nH]n2)C[C@@H]1C 1072778501 RFTGIDGLQJLXIE-WDEREUQCSA-N 307.354 -0.487 30 20 DBED C#CCN1CCC2(C1)CN(C(=O)[C@@H]1CN(C(C)=O)CCO1)C2 1073158095 LUZUQTLQRYTAAO-AWEZNQCLSA-N 305.378 -0.599 30 20 DBED CC#CCN1CCC2(C1)CN(C(=O)CC[C@H]1NC(=O)NC1=O)C2 1073412144 CCFIIAQDPNFIDK-GFCCVEGCSA-N 318.377 -0.468 30 20 DBED C=CCN1CCCO[C@@H](CNC(=O)[C@H]2CCS(=O)(=O)N2)C1 1073893675 YVPMJOBTLPWJTR-NWDGAFQWSA-N 317.411 -0.929 30 20 DBED N#CCN1CCCO[C@@H](CNC(=O)c2cccnc2C(N)=O)C1 1073895725 AEFGZQZVNXYMPF-NSHDSACASA-N 317.349 -0.475 30 20 DBED CNC(=O)NCC(=O)N1CC[C@@H](NC(=O)C#CC(C)C)[C@@H](C)C1 1073938476 NFYRHPIHSBKYQZ-QWHCGFSZSA-N 322.409 -0.072 30 20 DBED C=C(C)CCN1CCO[C@@H]2CCN(C(=O)Cn3cnnn3)C[C@H]21 1074166500 INKBINGVAWHKKG-ZIAGYGMSSA-N 320.397 -0.059 30 20 DBED CC#CCN1CCO[C@@H]2CCN(C(=O)CS(C)(=O)=O)C[C@@H]21 1074188151 OGFLVDFEQLUQCL-QWHCGFSZSA-N 314.407 -0.644 30 20 DBED CC#CCN1CCO[C@@H]2CCN(C(=O)Cc3n[nH]c(C)n3)C[C@@H]21 1074238025 JEEBUWULVFXZQG-UONOGXRCSA-N 317.393 -0.019 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)[C@H]1CCN(C)C1 1076584981 BVPFBPJTHFKMRG-STQMWFEESA-N 322.409 -0.911 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)c2cnc3c(c2)nnn3C)C1 1077407079 DMJFFUPPQRHPIR-CHWSQXEVSA-N 314.349 -0.839 30 20 DBED C=C(Br)CN1C[C@@H](O)[C@H](NC(=O)c2cnon2)C1 1077872333 LZEZJBPDNXXBIW-RKDXNWHRSA-N 317.143 -0.247 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCS2(=O)=O)C1 1078203682 AGWBNLYFUDIHMS-MXWKQRLJSA-N 322.814 -0.523 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)Cc2cccc3nsnc23)C1 1078299652 CDPHNYBHSKZHRV-VXGBXAGGSA-N 317.374 -0.081 30 20 DBED Cn1cc(C(=O)N2C[C@H]3CC[C@H]2[C@@H](NCC#N)C3)n(C)c1=O 1079113738 LMFKUGUBMGQEEV-SRVKXCTJSA-N 303.366 -0.170 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@H](CNC(=O)COC(C)C)C1 1081322697 YAKQQHVNRZBZIT-OLZOCXBDSA-N 314.382 -0.451 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)C[C@H]1CCC(=O)N1 1083222605 BFIXGYSRLQYWKT-HZSPNIEDSA-N 305.378 -0.410 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CN(C[C@H]3CCOC3)C[C@@H]2O)c[nH]1 1083418743 YDDHFVIDISUEGH-HONMWMINSA-N 304.350 -0.302 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCc3nncn3C2)C1 1084086221 UNVUHASAWSUYSS-UPJWGTAASA-N 303.366 -0.975 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](NC(=O)c2ccc(C(N)=O)cn2)C1 1084113001 UJSMIJQRCVFOFP-KGLIPLIRSA-N 318.377 -0.078 30 20 DBED Cn1cc([C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2NCCO)cn1 1086978671 JTYJQSDXBCPDIA-LSDHHAIUSA-N 302.378 -0.290 30 20 DBED C=CCN[C@@H]1CN(C(=O)[C@@H]2CCNC2=O)C[C@H]1c1cnn(C)c1 1086991277 UEHHCLRGFJWXCW-HZSPNIEDSA-N 317.393 -0.374 30 20 DBED C#CCCN1CC[C@H](NC(=O)CN2CCOCC2=O)[C@H]1CC 1087603754 HGDUHTMXJCRVPU-UONOGXRCSA-N 307.394 -0.162 30 20 DBED C#CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC(=O)NC(=O)N1 1089703492 KRFDVFCAOOGXLV-RYUDHWBXSA-N 320.393 -0.176 30 20 DBED CC#CCN1C[C@@H]2[C@@H]3CC[C@@H](CN3C(=O)Cn3cnnn3)[C@H]2C1 1089770573 SVIJDTMTJYEILZ-XGUBFFRZSA-N 314.393 -0.135 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(c2cc(C)ncn2)C[C@H]1O 1090495511 VNDHDVQRODGHBJ-CHWSQXEVSA-N 304.350 -0.509 30 20 DBED C#CCCN1CC[C@H](NC(=O)C2CCN(CC#C)CC2)[C@@H](O)C1 1090830222 JOSOAJCGZITINQ-IRXDYDNUSA-N 317.433 -0.094 30 20 DBED C=CCCN1CC[C@H](NC(=O)c2cn(C)c(=O)n2C)[C@@H](O)C1 1090836511 NSQXAXCYZDELJB-AAEUAGOBSA-N 308.382 -0.535 30 20 DBED C[C@H](CC(N)=O)C(=O)NC1[C@@H]2CN(c3cncc(C#N)n3)C[C@@H]12 1093330417 HMOJDYVVHRTQIF-FBIMIBRVSA-N 314.349 -0.589 30 20 DBED N#Cc1cncc(NCCNC(=O)[C@@H]2CCCN2C(N)=O)n1 1093708796 WPEPAZJOOJINQV-JTQLQIEISA-N 303.326 -0.581 30 20 DBED Cc1cc(C#N)nc(NCCNC(=O)CN2CCOCC2=O)n1 1094210168 GYNIPIRYEKUWTB-UHFFFAOYSA-N 318.337 -0.956 30 20 DBED CN1C[C@H](C(=O)NCCCNc2nccnc2C#N)NC1=O 1094709716 XPBMLXCTPWCLCM-SNVBAGLBSA-N 303.326 -0.710 30 20 DBED CN(C)CCOCC(=O)NCCCN(C)c1ccc(C#N)nn1 1095594694 MBBCDYOWYZWMJY-UHFFFAOYSA-N 320.397 -0.131 30 20 DBED C[C@H](NC(N)=O)C(=O)N[C@H]1CCN(c2ncc(C#N)cc2F)C1 1096356174 RDEAIQZJHVQXQX-WPRPVWTQSA-N 320.328 -0.156 30 20 DBED CNC(=O)NCCC(=O)N[C@H]1CCN(c2ccncc2C#N)C1 1096369172 UCOSTNZRMXNTGF-LBPRGKRZSA-N 316.365 -0.033 30 20 DBED CC(=O)N[C@H](C)C(=O)N1CC[C@H](N=c2cc[nH]cc2C#N)C1 1096913257 BHYGIYXSKNHJEL-MFKMUULPSA-N 301.350 -0.087 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H](C)Nc1cc(COC)ncn1 1097768704 QRVAHLYZXOGPLY-LLVKDONJSA-N 319.365 -0.321 30 20 DBED CNC(=O)C1(C(=O)N2CCC(N(CC#N)CCO)CC2)CCC1 1098540517 QKGPSGXVRKTIOZ-UHFFFAOYSA-N 322.409 -0.288 30 20 DBED CC(=O)N1CC(C(=O)NCC[C@@H](C)N=c2cc[nH]c(C#N)n2)C1 1099010625 JMQVDEXSWVOYRJ-SNVBAGLBSA-N 316.365 -0.445 30 20 DBED C[C@@H](CCNC(=O)Cn1ncnn1)Nc1cnc(C#N)cn1 1099552819 FLVRXSPSGOCQRT-VIFPVBQESA-N 301.314 -0.658 30 20 DBED CCn1ncc(CN2CC[C@H](NC(=O)C#CC3CC3)[C@@H](O)C2)n1 1099826133 GVEWCWXAXGBZAU-GJZGRUSLSA-N 317.393 -0.237 30 20 DBED C=CCCCN1CC[C@H](NC(=O)c2cc(=O)n(C)cn2)[C@@H](O)C1 1099879113 FRPFGBNOUZVIGP-JSGCOSHPSA-N 320.393 -0.089 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)CCc2cnn(C)n2)[C@H](O)C1 1100009144 STHJWLYIFJETCP-ZIAGYGMSSA-N 307.398 -0.125 30 20 DBED C#CCCN1CC[C@H](NC(=O)COC2CCN(C)CC2)[C@H](O)C1 1100055983 MLNFNRDHSRFGGJ-JKSUJKDBSA-N 323.437 -0.328 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CCCN(C)C(C)=O)[C@@H](O)C1 1100092920 UTZXSZQJPAAYRY-CABCVRRESA-N 309.410 -0.180 30 20 DBED CN(CCNC(=O)c1ccc(=O)n(C)n1)c1ccc(C#N)nc1 1100095347 GPGYVNSZBXFPOX-UHFFFAOYSA-N 312.333 -0.087 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)N[C@H]1CCN(CC)C[C@H]1O 1100129809 SJINDHPCASQADY-NWDGAFQWSA-N 312.414 -0.179 30 20 DBED CN(CCNC(=O)Cn1ncn(C)c1=O)c1ccc(C#N)nc1 1100214890 LKUSHPCOVBJVEL-UHFFFAOYSA-N 315.337 -0.899 30 20 DBED COCC#CCNC1CC(CNC(=O)[C@@H]2CC(=O)N(C)C2)C1 1100377879 NZWCTCHCBSTZKB-ROKHWSDSSA-N 307.394 -0.401 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CCN(c2ccc3nnnn3n2)C1 1100950002 LZCQSRFMZDJJTD-NXEZZACHSA-N 300.326 -0.379 30 20 DBED COCC#CCNC1CC(CNC(=O)c2c[nH]c(C(N)=O)c2)C1 1100986119 NDYWPRRQJRQGBW-UHFFFAOYSA-N 318.377 -0.139 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)[C@H](COC)OC)c3nccn32)C1 1101641284 MLQDQSBCQMHBDA-STQMWFEESA-N 318.377 -0.250 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)[C@H](C1CC1)N(C)C 1101821601 JVPRLHXRNXOLBN-AWEZNQCLSA-N 302.382 -0.019 30 20 DBED CN(CCNc1ccc(C#N)nc1)C(=O)C[C@@H]1NC(=O)NC1=O 1102017153 HQCVPDFZDHHWBK-NSHDSACASA-N 316.321 -0.578 30 20 DBED CN1CC[C@@H](C(=O)N(C)CCN=c2cc[nH]c(C#N)n2)CC1=O 1102026462 OQQNWADFPBIYKU-LLVKDONJSA-N 316.365 -0.491 30 20 DBED Cc1cc(C#N)nc(N2C[C@@H]3C[C@H]2CN3C(=O)CNC(N)=O)n1 1102536353 XFKSWPDCNGFBEW-QWRGUYRKSA-N 315.337 -0.886 30 20 DBED CC[C@@H](CNC(=O)Cn1ncnn1)Nc1ccc(C#N)nc1 1103208276 YSCQHWYEJZMTFK-JTQLQIEISA-N 300.326 -0.053 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1CCNC(=O)CN1CCNC(=O)C1 1103305058 LIOOSLZOAOQIGM-CHWSQXEVSA-N 307.398 -0.984 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)c1nccnc1N 1103875452 YQJGIBHAPSIBKC-SECBINFHSA-N 312.337 -0.380 30 20 DBED Cn1ccc(CC(=O)N2CC(n3cc(CNCC#N)nn3)C2)n1 1105238000 GNDMOXPICFJMEE-UHFFFAOYSA-N 314.353 -0.749 30 20 DBED Cc1cncn1CC(=O)N1CC(n2cc(CNCC#N)nn2)C1 1105283835 VXQMOAQKQGHUKK-UHFFFAOYSA-N 314.353 -0.520 30 20 DBED CN(CCN(C)c1nccnc1C#N)C(=O)[C@H]1CC[C@H]1C(N)=O 1105521080 AVSYXRSRCAGKAL-MNOVXSKESA-N 316.365 -0.246 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H](O)CNC(=O)C[C@H]1CCOC1 1105760877 ZBOGZDZCJMBZDD-YPMHNXCESA-N 304.350 -0.309 30 20 DBED CCC(=O)NCC(=O)NC[C@H](O)CNc1ncccc1C#N 1105771141 FRVSIQYUYUZIDW-NSHDSACASA-N 305.338 -0.632 30 20 DBED Cc1nc(NC[C@H](O)CNC(=O)[C@@H](C)C#N)nc(N(C)C)n1 1105773845 NUMYOUWKQGCRTG-WCBMZHEXSA-N 307.358 -0.705 30 20 DBED COC1(CC(=O)NC[C@@H](O)CN=c2cc[nH]c(C#N)n2)CCC1 1105795435 ADQHRROBKBCTQX-NSHDSACASA-N 319.365 -0.382 30 20 DBED Cc1[nH]nc(C(=O)NC[C@H](O)CNc2ncccc2C#N)c1O 1105820325 WDZWRDKVONDKQP-SNVBAGLBSA-N 316.321 -0.107 30 20 DBED COC[C@H](OC)C(=O)NC[C@H](O)CNc1ccc(C#N)c(C)n1 1106087303 NYRDEVMAPWTDJC-OLZOCXBDSA-N 322.365 -0.188 30 20 DBED Cc1ccnn1CC(=O)NC[C@@H](O)CNc1ccc(C#N)nn1 1106134487 WRCRJRZPIQGXOL-LBPRGKRZSA-N 315.337 -0.558 30 20 DBED C[C@@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)[C@@H]1CN(C)CCO1 1106293126 BRBLQSFBSLJIHT-RYUDHWBXSA-N 318.381 -0.593 30 20 DBED COCC(C)(C)C(=O)N1C[C@@H](C)[C@H](CNCC(=O)NCC#N)C1 1106429270 XMYZUFFRHTTWLY-CHWSQXEVSA-N 324.425 -0.017 30 20 DBED C[C@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)[C@H](C)CC(N)=O 1106515961 OWUJNEGYRFHHRI-NXEZZACHSA-N 304.354 -0.412 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C)O2)C[C@H]1C 1106682372 GNRNKGLFBANLJU-KBUPBQIOSA-N 321.421 -0.013 30 20 DBED C[C@@H]1CN(C(=O)Cc2cnc[nH]2)C[C@H]1CNCC(=O)NCC#N 1106705255 YYWSHWXXDFJTQY-VXGBXAGGSA-N 318.381 -0.724 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)CC[C@@H]2NC(=O)NC2=O)C[C@H]1C 1106962226 DIKFGTGGRWHNPI-UPJWGTAASA-N 320.393 -0.318 30 20 DBED C[C@H]1CCN(CC(=O)NCc2cn(C3CN(CC#N)C3)nn2)C1 1107210848 GFVZWEYKYINEHC-LBPRGKRZSA-N 317.397 -0.384 30 20 DBED N#Cc1ccc(NC/C=C\CNC(=O)[C@H]2CCCNC2=O)nn1 1107390304 UMULNNDELIAKOP-UDSFMNFJSA-N 314.349 -0.041 30 20 DBED Cn1cnc(C(=O)NC/C=C\CN=c2cc[nH]cc2C#N)cc1=O 1107583996 QMZFAPGBGRJJQH-IHWYPQMZSA-N 324.344 -0.133 30 20 DBED CC#CCN1CCO[C@](C)(CNC(=O)[C@H]2CCNC(=O)C2)C1 1107864227 PKTROKILSYGPIN-XJKSGUPXSA-N 307.394 -0.257 30 20 DBED Cc1ccc(C#N)c(NC[C@@H](C)NC(=O)Cn2ncnn2)n1 1107943117 IVYVBVMMSAENMS-SNVBAGLBSA-N 300.326 -0.135 30 20 DBED C=CCN1CCO[C@@](C)(CNC(=O)[C@@H](C)S(C)(=O)=O)C1 1108029371 VILFTIVSIUJODG-YPMHNXCESA-N 304.412 -0.187 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)[C@@H]1CCN(C)C1=O 1108071099 BXEBUVRYTATBPZ-ZJUUUORDSA-N 302.338 -0.835 30 20 DBED COc1ccc(C(=O)NC[C@@]2(C)CN(CC#N)CCO2)nn1 1108323973 QBTUJOFLLAOAAJ-AWEZNQCLSA-N 305.338 -0.171 30 20 DBED C=CCN1CCN(C(=O)COCC)[C@@H]2CS(=O)(=O)C[C@@H]21 1108453519 WOUMOZGIOPENRF-NWDGAFQWSA-N 302.396 -0.481 30 20 DBED N#CCN1CC(N2C[C@H](NC(=O)CCC(F)F)CC2=O)C1 1108557092 RFTUNFLDZWSTHW-SECBINFHSA-N 300.309 -0.043 30 20 DBED C[C@@H](CNc1cncc(C#N)n1)NC(=O)C[C@H]1CCNC1=O 1108573853 KVNMXDQIIQSUKH-VHSXEESVSA-N 302.338 -0.209 30 20 DBED C[C@H]1C[C@H](Nc2nccnc2C#N)CCN1C(=O)CNC(N)=O 1110507821 RPXFVVIPVCPEKB-VHSXEESVSA-N 317.353 -0.192 30 20 DBED CC[C@H](OC)C(=O)N(C)[C@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1111178774 FWUAZJPARXUSGK-AVGNSLFASA-N 319.365 -0.219 30 20 DBED COC[C@H](C)C(=O)N1CCO[C@@H](CN=c2cc[nH]c(C#N)n2)C1 1111946941 OTADGNKYWSVUPJ-RYUDHWBXSA-N 319.365 -0.308 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)[C@@H]2CCN(C)[C@@H]2C)CC1 1112865915 GYBOEMBZRPLWNC-RBSFLKMASA-N 320.437 -0.391 30 20 DBED C[C@H](CNC(=O)c1nccnc1N)N(C)c1cnc(C#N)cn1 1113525640 BJYCSLNKTCFGED-SECBINFHSA-N 312.337 -0.025 30 20 DBED COCCOCC(=O)NC[C@H](C)N(C)c1cncc(C#N)n1 1113539341 NCHHXCPHYMZOPW-NSHDSACASA-N 307.354 -0.048 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)c2ccc(C#C)cn2)CC1 1113559460 VBFNIYBDXFWDIL-AWEZNQCLSA-N 324.384 -0.041 30 20 DBED C[C@H](CNC(=O)Cn1ncnn1)N(C)c1ccncc1C#N 1113723843 WYEQEODFTJNVSW-SNVBAGLBSA-N 300.326 -0.419 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)c3cnn(C)c3C)[C@H]2C1 1113857114 JEDTZDPOJOENNP-STQMWFEESA-N 317.393 -0.309 30 20 DBED CCc1ocnc1C(=O)NC1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]12 1114086531 YBOYTVHEGUYTCG-NXEZZACHSA-N 317.349 -0.463 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)[C@@]3(C)CCNC(=O)C3)[C@@H]2C1 1114455583 FVJPBODLAPADFW-XNJGSVPQSA-N 319.405 -0.401 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)[C@@H]3CCN(C)C3=O)[C@H]2C1 1114714631 WKKUBNJNWVBANK-IGQOVBAYSA-N 305.378 -0.839 30 20 DBED C=CCCCC(=O)N[C@H]1[C@@H]2CN(CC(=O)NC(=O)NC)C[C@@H]21 1114755797 QPPONCUIAWQFFK-YABSGUDNSA-N 308.382 -0.155 30 20 DBED C[C@@H]1CCN(CC(=O)NC2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]23)C1 1114832608 UTWFIIUIOJLPBZ-JHJVBQTASA-N 319.409 -0.986 30 20 DBED N#Cc1nccnc1NCCCOCCNC(=O)c1cnn[nH]1 1115456648 ANHKUHBFBFJGLW-UHFFFAOYSA-N 316.325 -0.285 30 20 DBED CN(C)Cc1cccc(NC(=O)C(=O)NCC(=O)NCC#N)c1 1117461267 SXADCNCJPPSDDZ-UHFFFAOYSA-N 317.349 -0.557 30 20 DBED CS(=O)(=O)[C@H]1CCCCN(C(=O)NCC(=O)NCC#N)C1 1117477795 MGRJYBXYIGMCFE-JTQLQIEISA-N 316.383 -0.765 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)NC[C@@H]1CCSC1 1117583820 JDNTYWLGRHFKQA-JTQLQIEISA-N 320.436 -0.427 30 20 DBED Cc1noc(C)c1CCNC(=O)C(=O)N1CC[C@](O)(CC#N)C1 1118153030 PZXJOEFTMKIRBN-OAHLLOKOSA-N 320.349 -0.173 30 20 DBED C=CCN(C(=O)[C@@H]1CCCS1(=O)=O)[C@H]1CCS(=O)(=O)C1 1118370044 XZRBGYDPXTXALN-QWRGUYRKSA-N 321.420 -0.235 30 20 DBED C[C@@H](CN(C)C(=O)c1nnn(C)n1)Nc1cnc(C#N)cn1 1120501498 FLYJTWCSSDJKEV-QMMMGPOBSA-N 301.314 -0.556 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](CO)N=c1ccc2ncc[nH]c-2n1 1121214113 WVQFSFVUBSQFKM-UWVGGRQHSA-N 300.322 -0.553 30 20 DBED Cc1cc(C#N)nc(N[C@H](CO)CNC(=O)c2ccn(C)n2)n1 1121580645 LIZFYVDGNCWUMO-NSHDSACASA-N 315.337 -0.407 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H](CO)Nc1nc(C)cc(C#N)n1 1122035628 IXAAZJAHFPJTKQ-YPMHNXCESA-N 317.349 -0.416 30 20 DBED CO[C@H](C(=O)NC[C@@H](CO)Nc1nccnc1C#N)C(C)C 1122445336 PKTXYJMFIRCFGH-JQWIXIFHSA-N 307.354 -0.092 30 20 DBED C[C@@H]1CC[C@H](C(=O)NC[C@H](CO)Nc2cnc(C#N)cn2)O1 1122658934 DFQJXXCDBGSYIG-YUSALJHKSA-N 305.338 -0.195 30 20 DBED Cc1ccnn1CC(=O)NC[C@@H](CO)Nc1nccnc1C#N 1122689153 YMYSWQMIAUWYLZ-NSHDSACASA-N 315.337 -0.558 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]cc1C#N)C(=O)Cc1ccon1 1124201110 RVMRPTHLQMSCCH-CYBMUJFWSA-N 315.333 -0.163 30 20 DBED Cc1c[nH]cc1C(=O)N(C)C[C@H](O)CN=c1cc[nH]c(C#N)n1 1124359181 YZBOYAFHICPTLU-LLVKDONJSA-N 314.349 -0.048 30 20 DBED C=CCNC(=O)CNCCNC(=O)CCn1ccccc1=O 1128716256 WXXLTTKNDGFGAY-UHFFFAOYSA-N 306.366 -0.754 30 20 DBED C#CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)CNC(=O)CC)C1 1128833836 CPLXCINJCRIRJR-OLZOCXBDSA-N 318.381 -0.831 30 20 DBED C#CCCN[C@@H]1CN(C(=O)c2nonc2C)C[C@@H]1n1ccnn1 1130153341 KPVPBZNBLRZDRT-NEPJUHHUSA-N 315.337 -0.352 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1nc(C)c(C)nc1C 1131114695 SEQIKKNECHBKPT-UHFFFAOYSA-N 303.366 -0.529 30 20 DBED COCC#CCN1CCNC(=O)CCN(C(=O)C(C)C)CC1 1131325706 RVZCGACAMOAOTO-UHFFFAOYSA-N 309.410 -0.057 30 20 DBED CC#CCN1CC[C@]2(C1)CN(C(=O)CC(=O)NC)C[C@@H](C)O2 1131653064 POKBNPUFYCXZEC-CJNGLKHVSA-N 307.394 -0.162 30 20 DBED C#CCN1CC[C@@]2(C1)CN(C(=O)C1(C(=O)NC)CC1)C[C@H](C)O2 1131687526 BLZPQPCCWZZRAL-XJKSGUPXSA-N 319.405 -0.162 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)CC(C)(C)O)CC[C@@H]1C 1132782059 INXXGZCLNZOCLK-UONOGXRCSA-N 323.437 -0.029 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@@H]1C[C@H](C)Cc2c[nH]nc21 1132832872 ZRXYVINSSCILEQ-DGCLKSJQSA-N 317.393 -0.469 30 20 DBED C#CCNC[C@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)CC[C@@H]1C 1132844182 VIQDNEVGLPPYKD-RYUDHWBXSA-N 318.381 -0.916 30 20 DBED C=CCNC[C@H]1CN(C(=O)CN2C(=O)CNC2=O)CC[C@@H]1C 1133307173 VNUGODNKIRFXHI-RYUDHWBXSA-N 308.382 -0.202 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)Cn1cccn1)NCC(=O)NCC#N 1133674634 GRKVCEIVLBKFAM-NWDGAFQWSA-N 306.370 -0.604 30 20 DBED C=CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)c1c[nH]c(=O)cn1 1135321463 VMXGKYFFAGZITE-QWRGUYRKSA-N 321.381 -0.441 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1snnc1C(C)C 1135623664 JVFPBWDFXPZONY-UHFFFAOYSA-N 309.395 -0.270 30 20 DBED CCC[C@H]1C[C@@H](C(=O)NCCNCC(=O)NCC#N)CCO1 1135850540 QDGKGYMFTZDZTM-STQMWFEESA-N 310.398 -0.073 30 20 DBED C#CCCN[C@H](C)C[C@H](C)NC(=O)c1cn(CC(N)=O)nn1 1146583300 JPUGMBFELPVPIZ-MNOVXSKESA-N 306.370 -0.727 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)C(=O)N1CCC[C@@H]1CC 1147028038 NTUJHEMKWFDNAV-STQMWFEESA-N 324.425 -0.216 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)CCCN(C)C(C)=O 1149247678 KSMXOUBSMSLODW-LBPRGKRZSA-N 310.398 -0.911 30 20 DBED COCC#CCN1CCCO[C@H](CNC(=O)Cn2ccnc2)C1 1150825417 SJHYXKZQUCPJNR-OAHLLOKOSA-N 320.393 -0.260 30 20 DBED C=CCNC(=O)[C@H](C)N(C)C[C@H]1CCCCN1C(=O)C(N)=O 1158426095 HOZAWASWQNWQMZ-NWDGAFQWSA-N 310.398 -0.525 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1ccnc2ccnn12 1159747196 ISTCRGNSXSVTLA-UHFFFAOYSA-N 314.349 -0.812 30 20 DBED C=CCCCNCCCNC(=O)c1c[nH]nc1S(N)(=O)=O 1166333128 FKWBTGFANXSOSQ-UHFFFAOYSA-N 315.399 -0.267 30 20 DBED C#CCNCC1(CCNC(=O)CN2CCC(=O)NC2=O)CC1 1167656462 JBDHASROVIALTO-UHFFFAOYSA-N 306.366 -0.562 30 20 DBED C=C(C)CNCCCNC(=O)C1(n2cnnn2)CCOCC1 1168043855 NAFLFRYAIBDHNJ-UHFFFAOYSA-N 308.386 -0.149 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)COCCCOC)C[C@H]21 1177131588 PTRRTDAMEPSFSL-HUUCEWRRSA-N 310.394 -0.026 30 20 DBED COCC#CCN[C@H]1CCN(C(=O)[C@@H](C)S(C)(=O)=O)[C@H]1C 1179005111 APWNBYWORHBTIN-XQQFMLRXSA-N 316.423 -0.352 30 20 DBED CCCCOCC(=O)N1CC[C@H]2CN(CC(=O)NCC#N)C[C@H]21 1187424849 JUESBXCICRQAAX-UONOGXRCSA-N 322.409 -0.024 30 20 DBED C#CCCN[C@@H]1CCN(C(=O)CCS(=O)(=O)N(C)C)C1 1188064545 VDHIQDZHPYPBKT-GFCCVEGCSA-N 301.412 -0.518 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](N(C)CC(=O)NC(=O)NC2CC2)C1 1189388087 BUJWOAXCKKKHFR-JQWIXIFHSA-N 321.381 -0.333 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(CCn2cccn2)C[C@H]1O 1192844512 WOWWWHPVSMVFMP-MGPQQGTHSA-N 306.366 -0.917 30 20 DBED C=CCC[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)c2cc(=O)n(C)cn2)C1 1193875139 FEZYNJSXLIGPEP-MRVWCRGKSA-N 320.393 -0.090 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H](OCC)C2CCOCC2)C1 1195030183 LXNZYLMZQFPWFH-KFWWJZLASA-N 310.394 -0.387 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)C[C@H]2COC(=O)C2)CC1 1195480593 KUIDZWJAJBHBKV-CYBMUJFWSA-N 323.393 -0.224 30 20 DBED C#CCNC(=O)CC(=O)N1CCCN(CC#CCOC)CC1 1195581636 ZYWDOPZAVJOEKK-UHFFFAOYSA-N 305.378 -0.690 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCCN(C(=O)[C@H](O)C(C)C)CC1 1195709914 HBIGOZOCZHAHKU-ZIAGYGMSSA-N 309.410 -0.325 30 20 DBED C=CCC(C)(C)C(=O)N[C@@H]1CN([C@H]2CCC(=O)NC2=O)C[C@H]1O 1196473808 CGBSVOPSBLVHOI-GRYCIOLGSA-N 323.393 -0.445 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCCN(CC(=O)NCC#N)CC1 1197195399 BDVYHXOHKBXULI-KGLIPLIRSA-N 320.393 -0.248 30 20 DBED Cn1ccc(CC(=O)N2CCC(NCC(=O)NCC#N)CC2)n1 1200456492 UNZAUADSTDLQJQ-UHFFFAOYSA-N 318.381 -0.817 30 20 DBED C#CCOCCC(=O)N1CCC(NCC(=O)NC(=O)NC)CC1 1200523255 NQOZNKCCOAEBOJ-UHFFFAOYSA-N 324.381 -0.938 30 20 DBED N#CCNC[C@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)CCCO1 1201412176 WPFHOIUDYZZBMJ-AGIUHOORSA-N 308.382 -0.381 30 20 DBED C=CCNC(=O)[C@H](C)NC1CCN(C(=O)[C@@H]2CCNC2=O)CC1 1201966241 BZTBKOINEJDJGA-WCQYABFASA-N 322.409 -0.606 30 20 DBED CN(CC(=O)N[C@@H]1C[C@@H](NCC#N)C12CCC2)S(C)(=O)=O 1202993939 ABPAHSWTCRLFRC-GHMZBOCLSA-N 314.411 -0.582 30 20 DBED C#CCNC1CCN(C(=O)CCS(=O)(=O)N(C)C)CC1 1203846335 BQCGBMVRQOAVHK-UHFFFAOYSA-N 301.412 -0.518 30 20 DBED C=CCOCCN[C@H]1C[C@H]2CC[C@H]1N(C(=O)CNC(N)=O)C2 1203967486 WDUQRABFHREHJM-FRRDWIJNSA-N 310.398 -0.174 30 20 DBED COCC(=O)N(C)CC(=O)N1C[C@H]2CC[C@H]1[C@H](NCC#N)C2 1204409616 YHMYBHZXDXBTJV-XQQFMLRXSA-N 308.382 -0.416 30 20 DBED COCC#CCNCC1CCN(C(=O)Cn2cncn2)CC1 1206916443 LKHPHWJDYHVIJX-UHFFFAOYSA-N 305.382 -0.244 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCCN(C(=O)CN(C)C(C)=O)C1 1207440783 JNHCCYNCRANYSF-GXTWGEPZSA-N 322.409 -0.817 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC[C@@H](NCC(N)=O)C1 1209982759 POLIVSQRSNQWCM-CHWSQXEVSA-N 310.398 -0.477 30 20 DBED COCC#CCN1C[C@@H](NC(=O)C23CCN(CC2)C3)[C@H](OC)C1 1213726473 XWMOQGLEAINRAD-HUUCEWRRSA-N 321.421 -0.453 30 20 DBED C=CCN1CC[C@H](N[C@@H]2CN(C(=O)CC(=O)NC)C[C@H]2C)C1=O 1214504232 SZVVXRADXJJYQT-FRRDWIJNSA-N 322.409 -0.654 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H](OC)C(C)C)C[C@H]1C 1215465531 PQRRZJWRXGZMCG-NFAWXSAZSA-N 309.410 -0.157 30 20 DBED Cc1nocc1CN1C[C@H](O)[C@H](NC(=O)CSCC#N)C1 1219218697 VTXSPCQGWCLZQH-NEPJUHHUSA-N 310.379 -0.099 30 20 DBED C=CCCCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCS(=O)(=O)C2)C1 1219964825 NHSVISPJWWNFNF-UPJWGTAASA-N 316.423 -0.451 30 20 DBED C=CCNC(=O)CN1CC[C@@H]2CN(C(=O)[C@@H]3CCC(=O)N3)[C@@H]2C1 1221958308 PFCNBFUSHKJAHL-FRRDWIJNSA-N 320.393 -0.900 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCCC[C@H]1NC(=O)c1nc[nH]n1 1229202457 TYHQQDAPAIZQQA-IJLUTSLNSA-N 318.381 -0.427 30 20 DBED C=CCOCC(=O)NCC[C@@H]1CN(CC=C)CCS1(=O)=O 1230435100 BRJSDWMSKVCQRP-CYBMUJFWSA-N 316.423 -0.020 30 20 DBED COC[C@H](O)CN1CC[C@@H]1CN(C)C(=O)CSCC#N 1230815322 MXNUDNZRKDBIPS-VXGBXAGGSA-N 301.412 -0.217 30 20 DBED CN(CCCNC(=O)CSCC#N)CCN1CCNC1=O 1234155147 WGUFCMBDIYCFBW-UHFFFAOYSA-N 313.427 -0.294 30 20 DBED C#CCOCCC(=O)N(C)C[C@H]1CCN1[C@@H](C)c1nnnn1C 1234247237 YQWSZQQKPKCIMF-QWHCGFSZSA-N 320.397 -0.156 30 20 DBED C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CCN2CC(=O)NCC#N)CCN1C 1234392561 MVGNXVGRXUOIAA-HZSPNIEDSA-N 321.425 -0.501 30 20 DBED N#CCCCCNC(=O)C(=O)NC[C@H]1CCCCS1(=O)=O 1258149395 LWMAMKSVTYVENB-LLVKDONJSA-N 315.395 -0.120 30 20 DBED CC#CC[C@@H](CO)NC(=O)NCCN/C(O)=C1\N=CC=CC1=O 1261452739 LADMYWYNJLQSFH-JKJHPVACSA-N 320.349 -0.414 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)C(=O)NCCc2cccc(O)c2)C1 1261466627 PWGJWAICPOBLQF-MRXNPFEDSA-N 317.345 -0.072 30 20 DBED COCC(=O)NCCC(=O)NCc1ccc(C(=O)NO)cc1 1262174112 HPWKDYCMVSPSGD-UHFFFAOYSA-N 309.322 -0.426 30 20 DBED COCCNC(=O)[C@H](C#N)C(=O)COCc1nnc(C)s1 1263294274 QQFFEWQBULYALU-SECBINFHSA-N 312.351 -0.165 30 20 DBED C=CCNC(=O)CNC(=O)C1CCN(S(C)(=O)=O)CC1 1320108116 IWGDAKRBMVAXAV-UHFFFAOYSA-N 303.384 -0.924 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)Nc1ccc(-n2cnnn2)cc1 1321242428 XOXQKZDMZGNLCM-JTQLQIEISA-N 316.321 -0.082 30 20 DBED C#C[C@H](C)N(C)C(=O)C(=O)Nc1cnn(CC(=O)OC)c1C 1321570671 ZFYAXZGTULFNPK-VIFPVBQESA-N 306.322 -0.217 30 20 DBED CO[C@]1(CNC(=O)C(=O)Nc2ccc(C#N)cn2)CCOC1 1324513846 OFFZSVMXOSHAMS-AWEZNQCLSA-N 304.306 -0.187 30 20 DBED CS(=O)(=O)c1ccc(NN=C2C(=O)NC(=O)NC2=O)cc1 1324883422 FASLLXGHGARGRA-UHFFFAOYSA-N 310.291 -0.776 30 20 DBED Cn1cc(N2CC[C@H](NC(=O)[C@@H](N)CCCC#N)C2=O)cn1 1325791939 SEDDJFAGTIFXPI-RYUDHWBXSA-N 304.354 -0.337 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CC[C@@H](COC)C2)nn1 1328108042 VMSICZHDCQREJU-LLVKDONJSA-N 307.354 -0.425 30 20 DBED C[C@@H](CNC(=O)C(=O)N1CCC[C@@](C)(C#N)C1)S(C)(=O)=O 1329218316 GIHQTQQKRRNGSF-GWCFXTLKSA-N 315.395 -0.312 30 20 DBED CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)CCCO1 1329453022 OGUHVCLMJGHSPR-DOMZBBRYSA-N 309.366 -0.109 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N[C@@H]1C[C@H](OCC)[C@H]1OC 1329832247 AILIXLPFHYVGKD-AGIUHOORSA-N 314.382 -0.044 30 20 DBED C=C[C@H](COC)NC(=O)N1CCC[C@H](NS(C)(=O)=O)C1 1330992185 MFBRMFMJBVXNOK-MNOVXSKESA-N 305.400 -0.089 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N1CCC2(CCNC2=O)CC1 1332280511 NUXUPDKEFQHYRA-UHFFFAOYSA-N 315.373 -0.400 30 20 DBED C=C(C)Cn1nnnc1N1CCC[C@H]1CS(=O)(=O)NC 1332954189 NGIMDCPPKXVBHA-JTQLQIEISA-N 300.388 -0.233 30 20 DBED C=CCn1cc(CNC(=O)NCCN2CCC(O)CC2)nn1 1333839168 XEMNFUYRLAYZOU-UHFFFAOYSA-N 308.386 -0.280 30 20 DBED C#CCCCNC(=O)C(=O)NCCS(=O)(=O)N1CCCC1 1340974614 OAFIIAYJDIMRFQ-UHFFFAOYSA-N 315.395 -0.942 30 20 DBED C=C(C)COCCNC(=O)C(=O)N[C@H]1CCN(C(C)C)C1=O 1342136604 CALUOECBYPORFL-LBPRGKRZSA-N 311.382 -0.179 30 20 DBED CS(=O)(=O)N1CCC(C(=O)[C@@H](C#N)C(=O)NC2CC2)CC1 1343983845 YPHJNDPZANCFEX-LLVKDONJSA-N 313.379 -0.355 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)NC[C@@H](C)CN1CCOCC1 1345548396 OWBBELVMFZOYBN-OAHLLOKOSA-N 319.405 -0.444 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2C[C@@H]3CC[C@H](C2)N3)nn1 1353311049 RDKNKRBQGDAEBW-PHIMTYICSA-N 304.354 -0.957 30 20 DBED CS[C@H](CO)[C@@H](C)NC(=O)Cn1cc(C#N)c(O)nc1=O 1362295974 MIUACAJYQXWFJL-VXNVDRBHSA-N 312.351 -0.951 30 20 DBED C[C@@H]1CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)CC[S@]1=O 1362648781 VGVAVDDBNRGHFB-PVBMHHQDSA-N 324.362 -0.810 30 20 DBED N#CCOc1ccccc1C(=O)NC[C@@H](O)Cn1ccnn1 1362817077 ICPSDTSEZNFMLT-LLVKDONJSA-N 301.306 -0.029 30 20 DBED COCC(=O)NCCC(=O)N[C@H]1C[C@@H](CNC(=O)[C@H](C)C#N)C1 1384545065 FXZXSJKINXFEJQ-UTUOFQBUSA-N 324.381 -0.690 30 20 DBED C[C@@H](CNC(=O)Cn1cc(C2CC2)nn1)NC(=O)[C@H](C)C#N 1389481109 CWCSBWXEAINTKM-ZJUUUORDSA-N 304.354 -0.064 30 20 DBED C[C@H](CNC(=O)CNC(=O)C1CC1)NC(=O)c1c[nH]c(C#N)c1 1392290338 YDXMAUVIZNRZLT-SECBINFHSA-N 317.349 -0.353 30 20 DBED Cc1ncncc1C(=O)NC[C@]1(O)CCN(C(=O)[C@H](C)C#N)C1 1394634161 YRCWUDOLPGQXLW-MEBBXXQBSA-N 317.349 -0.362 30 20 DBED COCC(=O)N(C)CC(=O)NC[C@@H](C)N(C)C(=O)[C@@H](C)C#N 1395105548 OUAMDANQWGMTFW-WDEREUQCSA-N 312.370 -0.786 30 20 DBED COc1ncnc(OC)c1C(=O)N[C@@H](C)CNC(=O)[C@@H](C)C#N 1397587864 PAHIBHOOSBMURJ-IUCAKERBSA-N 321.337 -0.112 30 20 DBED CCO[C@H](C)C(=O)NC[C@@H](O)CNC(=O)c1ccc(C#N)[nH]1 1399788484 KOZFKQNJZJRSCH-MWLCHTKSSA-N 308.338 -0.482 30 20 DBED CNS(=O)(=O)[C@@H]1CCN(S(=O)(=O)CC2(CC#N)CC2)C1 1413317844 IIRRVZFRETZVAI-SNVBAGLBSA-N 321.424 -0.366 30 20 DBED CC(=O)N1CCN(CCNC(=O)c2ccc(C#N)n2C)CC1 1417610469 ASPVTWCSSRZZRN-UHFFFAOYSA-N 303.366 -0.209 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CC[C@H](NCc2nc(=O)n(C)[nH]2)CC1 1421603886 OIKRLJULWALTRW-GMTAPVOTSA-N 306.370 -0.215 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H](C)CNC(=O)CN(C)C(=O)C1CC1 1424191474 ZFLLXKNGQSRRGD-GHMZBOCLSA-N 308.382 -0.022 30 20 DBED C[C@@H](CN(C)C(=O)c1cccc(C(N)=O)n1)NC(=O)[C@@H](C)C#N 1425125685 YABPJJBTNHYKLA-UWVGGRQHSA-N 317.349 -0.083 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]1CNC(=O)CNC(=O)N1CCCC1 1433719484 PWPRMZXNWDMWQF-VXGBXAGGSA-N 321.381 -0.331 30 20 DBED CNC(=O)CCCC(=O)NCCN(C)C(=O)c1ccc(C#N)[nH]1 1448816767 YFENSDDSHITPAD-UHFFFAOYSA-N 319.365 -0.009 30 20 DBED C[C@@H](C#N)C(=O)NC1CN(C(=O)[C@H](NC(N)=O)C(C)(C)C)C1 1450501245 WDBHEKRAJZNUBD-WPRPVWTQSA-N 309.370 -0.444 30 20 DBED N#Cc1cc(C(=O)NC[C@@H](O)CNC(=O)c2ccccn2)c[nH]1 1452234759 QDULCLOEUKLENN-GFCCVEGCSA-N 313.317 -0.198 30 20 DBED C[C@H](C#N)C(=O)N[C@@H](CNC(=O)CN1CCCNC1=O)C1CC1 1454173237 LXUDKDYHVHNGNB-PWSUYJOCSA-N 321.381 -0.428 30 20 DBED C[C@@H]1CN(C(=O)Cn2cc(C#N)c(O)nc2=O)C[C@@H](C)S1=O 1466887064 FECXTSACDZDXKP-RKDXNWHRSA-N 324.362 -0.812 30 20 DBED Cn1cc(C#N)c(NC(=O)N2CC[C@@H](CS(N)(=O)=O)C2)n1 1476220087 OKZNUBHOJOHBDH-MRVPVSSYSA-N 312.355 -0.566 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNCc1noc2c1COCC2 1482717082 WNXYXHINVIYHOV-NXEZZACHSA-N 308.338 -0.526 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CCCN1C(=O)CN1CCCC1=O 1499886070 KMFCVQHAPKBIER-VXGBXAGGSA-N 306.366 -0.124 30 20 DBED CCN1C[C@@H](C(=O)NC2(CNC(=O)[C@@H](C)C#N)CC2)CC1=O 1506192781 PEACARQEDVMNMJ-QWRGUYRKSA-N 306.366 -0.221 30 20 DBED CC[C@H](CNC(=O)CN1CCOCC1=O)NC(=O)[C@@H](C)C#N 1531259572 KVGMPTRNVZQSPB-WDEREUQCSA-N 310.354 -0.984 30 20 DBED C#CCCN(C)CCNC(=O)[C@@H]1CCCN1Cc1cnn[nH]1 1574883290 RHXWUSJLVGPBNW-AWEZNQCLSA-N 304.398 -0.160 30 20 DBED C=CCCC(=O)NC1CC(CNCC(=O)NCc2cnn[nH]2)C1 1575086106 SEEFJZCZSKZAKM-UHFFFAOYSA-N 320.397 -0.129 30 20 DBED CN(C)c1nccc(CNc2cnc(-c3nn[nH]n3)c(C#N)n2)n1 1579000767 BEJYKRGHNIDJFO-UHFFFAOYSA-N 323.324 -0.004 30 20 DBED C#CCN(C(=O)C(=O)N1CC[C@](COC)(C(=O)O)C1)C(C)C 1588395540 HWWMJXOIWVCOAR-HNNXBMFYSA-N 310.350 -0.194 30 20 DBED C#CCN1CCN(CN2C(=O)N[C@](C)(CCC(=O)O)C2=O)CC1 1588479196 BQAOIECLPCHPLJ-OAHLLOKOSA-N 322.365 -0.630 30 20 DBED COCC[C@H]1COCCN1c1cnc(-c2nn[nH]n2)c(C#N)n1 1591403368 LZZCBXFOOHMKBV-VIFPVBQESA-N 316.325 -0.230 30 20 DBED CCc1ccc(Cn2c(=O)c(C#N)cn(CC(=O)O)c2=O)nc1 1593638570 VVRJIIDNGNMUNX-UHFFFAOYSA-N 314.301 -0.028 30 20 DBED COC[C@](C)(CC(=O)O)NS(=O)(=O)N(C)C[C@@H](C)C#N 1599150524 QIXZDCHMRYNELQ-ONGXEEELSA-N 307.372 -0.208 30 20 DBED Cc1nn(CC(=O)N[C@H](C(=O)O)C(C)C)c(=O)c(C#N)c1C 1608003727 NWSALKMCYMLWDH-LBPRGKRZSA-N 306.322 -0.043 30 20 DBED C#CC[C@H](NC(=O)c1cc(C)c(-c2nn[nH]n2)cn1)C(=O)OC 1609019682 BUVYCMORKXNVQH-JTQLQIEISA-N 314.305 -0.135 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CCO[C@H](CC(=O)O)C1 1609266938 GSKWWDVFPVUIMY-NXEZZACHSA-N 300.311 -0.994 30 20 DBED Cc1[nH]nc(S(=O)(=O)N2CCN(CC#N)CC2)c1C(=O)O 1610549931 PNOCEUWVHQUZRN-UHFFFAOYSA-N 313.339 -0.754 30 20 DBED CC(=O)N[C@@H]1CCCN(C(=O)CN2CC[C@](O)(CC#N)C2)C1 1649846916 KBYJYRXLFIVVDN-UKRRQHHQSA-N 308.382 -0.536 30 20 DBED N#Cc1ccc(OC2CN(C(=O)C3(S(N)(=O)=O)CC3)C2)cc1 1649862505 WOFBJPAHXTZFIR-UHFFFAOYSA-N 321.358 -0.031 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)COC[C@@H]2CCCO2)C1 1661049776 UGGWWENAJSVSIN-KBPBESRZSA-N 323.393 -0.878 30 20 DBED CN(C(=O)CSCC#N)C1CCN(CC(=O)NCC#N)CC1 1752292811 ZHJMIGUONZAZQQ-UHFFFAOYSA-N 323.422 -0.194 30 20 DBED C#CCN1CCN(CCCNC(=O)[C@H](C)NC(=O)CC)CC1 1752344506 RWBHFTOZWTUROH-AWEZNQCLSA-N 308.426 -0.342 30 20 DBED C#CCN1CCC(C(=O)NCCN(CC)[C@@H]2CCNC2=O)CC1 1753095353 VBGJANVWHMYRNH-OAHLLOKOSA-N 320.437 -0.342 30 20 DBED CC[C@@H](CNC(=O)c1cnn(CC)c1)NCC(=O)NCC#N 1753469273 XEHKOPHHUJEUJR-LBPRGKRZSA-N 306.370 -0.359 30 20 DBED C#CCNC(=O)CNC[C@@H](C)CNC(=O)c1cn(C)nc1CC 1753620569 UVNKPLOWXNFMHR-GFCCVEGCSA-N 319.409 -0.313 30 20 DBED C#CCNC(=O)CNCCN(CC)C(=O)[C@]1(CC)CCNC1=O 1754050729 JISLVQAOZBAYBQ-MRXNPFEDSA-N 322.409 -0.910 30 20 DBED C=CCNC(=O)CNC[C@@H](C)NC(=O)[C@@H]1CCc2c[nH]nc2C1 1754254385 ZDDPKTNHUNESEX-VXGBXAGGSA-N 319.409 -0.089 30 20 DBED C#CCNC[C@@H]1CN(C(=O)CCn2cnccc2=O)CCO1 1755012422 KNECERWHEDYKEH-CYBMUJFWSA-N 304.350 -0.916 30 20 DBED C#CCN1CC(CCO)(NC(=O)CCc2ccnc(C)n2)C1 1755335472 IYAQTSQINXTOKF-UHFFFAOYSA-N 302.378 -0.096 30 20 DBED C#CCN1CC(CCO)(NC(=O)CNC(=O)c2ccccc2)C1 1755337949 AQPVBPOPEAYSNW-UHFFFAOYSA-N 315.373 -0.397 30 20 DBED C#CCNC(=O)CNCCC[C@H](C)NC(=O)c1c(C)ncn1C 1755501050 IXGFPNFIWVULQS-LBPRGKRZSA-N 319.409 -0.034 30 20 DBED COCC#CCN(C)C[C@H](O)CN(C)C(=O)c1[nH]c(O)nc1C 1755801712 HSJSYSQPCUXTNJ-LBPRGKRZSA-N 324.381 -0.562 30 20 DBED C[C@H](NC(=O)C(C)(C)C(N)=O)C1CN(C(=O)C#CC2CC2)C1 1756144223 FHZPBWHSKCFWSX-JTQLQIEISA-N 305.378 -0.126 30 20 DBED C=CCOCC(=O)N[C@@H](C)CN(C)C(=O)[C@@H](C)S(C)(=O)=O 1756468027 FQOFCEUOARYRQP-WDEREUQCSA-N 320.411 -0.415 30 20 DBED Cc1ccc(C(=O)NC[C@@H](CO)NC(=O)C#CC2CC2)nn1 1756521128 KCFVDSWEWRCPJN-LBPRGKRZSA-N 302.334 -0.595 30 20 DBED C=CCC1(C(=O)N[C@@H](CO)CNC(=O)c2nnn(C)n2)CCC1 1756542957 LCAGCYWFZHHMET-SNVBAGLBSA-N 322.369 -0.837 30 20 DBED CCC(=O)N[C@@H](C)C(=O)NC[C@@H](O)CN(C)C(=O)C#CC1CC1 1756661642 BRCHWQDKHSKCMV-WCQYABFASA-N 323.393 -0.750 30 20 DBED CN(C[C@H](O)CNC(=O)c1cn(C)nn1)C(=O)C#CC(C)(C)C 1756662214 JVFZJWPBLMYFPV-LLVKDONJSA-N 321.381 -0.586 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnn(C)c1C 1794895535 BLGYORCACASJSC-JJLQDPRZSA-N 316.361 -0.435 30 20 DBED N#CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1=NNC(=O)C1)C2 1795461769 IOYVVHSXKDANNW-ILWJIGKKSA-N 303.322 -0.586 30 20 DBED N#CCC(=O)N1CC[C@H](CNC(=O)CN)[C@@H]1c1cccnc1 1807030611 CKUSAMHEQXWWOK-DOMZBBRYSA-N 301.350 -0.040 30 20 DBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)CCOCC)C2)C1 1839811419 SYEVNWPLCPNFLS-MRXNPFEDSA-N 324.377 -0.497 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C1CC(O)C1 1847510048 GYSMJDXMLMZGQF-IIZVFWCOSA-N 320.389 -0.003 30 20 DBED C=CCNS(=O)(=O)c1ccc(/C(O)=N/C2=NC(=O)CN2)cc1 50222197 YLNQBEFVMGTEDT-UHFFFAOYSA-N 322.346 -0.059 30 20 DBED CCN(CCC#N)CC(=O)N1CCN(CC(=O)N(C)C)CC1 81040824 ZMAPNTWSODOASH-UHFFFAOYSA-N 309.414 -0.546 30 20 DBED C[C@H](C(=O)N(C)CCC#N)N1CCC(CS(N)(=O)=O)CC1 89991827 NMKTWOKFILZUQI-LLVKDONJSA-N 316.427 -0.253 30 20 DBED CN(C)C(=O)CNC(=O)C(=O)N(C)Cc1ccc(C#N)cc1 126560101 VUXOESRWEUFNPO-UHFFFAOYSA-N 302.334 -0.279 30 20 DBED CCNC(=O)NC(=O)CN(C)CCCc1n[nH]c(N)c1C#N 153260976 XXOABGVQDQVDOT-UHFFFAOYSA-N 307.358 -0.426 30 20 DBED CC(=O)OC1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC1 157548006 XHKJBMSYXZEFQP-UHFFFAOYSA-N 306.322 -0.512 30 20 DBED C=CCNC(=O)[C@@H](C)Nc1ccn(CC(=O)N2CCOCC2)n1 267921962 RFYILOZEKRIEMM-GFCCVEGCSA-N 321.381 -0.156 30 20 DBED COC(=O)[C@H](CO)NS(=O)(=O)c1c(F)cc(C#N)cc1F 271702981 HTVGPUZBYQIRES-VIFPVBQESA-N 320.273 -0.351 30 20 DBED C=CCS(=O)(=O)CCNC(=O)c1c(OC)ncnc1OC 272886752 RUPNBRUGOJHZGN-UHFFFAOYSA-N 315.351 -0.176 30 20 DBED Cc1ccn(C[C@@](C)(O)C(=O)N2CCN(CC#N)CC2)c(=O)c1 279570393 LRNFQNRMTPCPAT-MRXNPFEDSA-N 318.377 -0.425 30 20 DBED C[C@@H](CNC(=O)NCCn1cnc(C#N)n1)CN1CCOCC1 286887613 DQICYWGYVLEWMA-LBPRGKRZSA-N 321.385 -0.583 30 20 DBED CS(=O)(=O)N1CC[C@@H](CN/C(O)=N/CCN2CCC2)C1 328750507 RGJSTSMXECVMTK-NSHDSACASA-N 304.416 -0.523 30 20 DBED CCN(CCC#N)S(=O)(=O)NCCN1CCCS1(=O)=O 336905535 DRSRIRIUVYYKEQ-UHFFFAOYSA-N 324.428 -0.908 30 20 DBED C[C@H]1CN(S(=O)(=O)N(C)CCC#N)CCN1S(C)(=O)=O 345224892 MAAXAOZWXKKKQB-JTQLQIEISA-N 324.428 -0.958 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(C)C(C)(C)COC)C1=O 345440858 SZWLKSLUCKLKTO-UHFFFAOYSA-N 311.338 -0.153 30 20 DBED COCCN(CCC#N)S(=O)(=O)N(C)[C@H]1CCC[C@@H]1O 352595965 GDQSIJNQDIDPGZ-RYUDHWBXSA-N 305.400 -0.062 30 20 DBED CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)N1CC(O)(CC#N)C1 408157836 GYJSTBFOVCRCNY-VIFPVBQESA-N 303.384 -0.563 30 20 DBED C=C(C)CS(=O)(=O)N1CCC2(CC1)NC(=O)N(C)C2=O 408402247 HQMOKLCAVUZMGF-UHFFFAOYSA-N 301.368 -0.092 30 20 DBED C=CCOC[C@H](NC(=O)[C@H]1CCCN(C(N)=O)C1)C(=O)OC 435140897 WNZUZKMXUIFWQQ-QWRGUYRKSA-N 313.354 -0.363 30 20 DBED N#Cc1c(Cl)cccc1S(=O)(=O)NCCOCC(N)=O 443769790 INJNWHUTSPCXRN-UHFFFAOYSA-N 317.754 -0.008 30 20 DBED CCOC(=O)COCCNS(=O)(=O)N(CC)C[C@H](C)C#N 451783368 UYSIPQDCAJIQHD-LLVKDONJSA-N 321.399 -0.118 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@H](C)OCC(C)C)CC1 491128036 YVFOYXBRPLEQNV-AWEZNQCLSA-N 309.410 -0.059 30 20 DBED C#CCN1CCN(C(=O)CN2CCN(c3ncc[nH]3)CC2)CC1 491738037 WHGJWYNALSMLIU-UHFFFAOYSA-N 316.409 -0.691 30 20 DBED C#CCN(C)CCCNC(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 491802462 GKDWNCMGIPIDRE-GFCCVEGCSA-N 316.427 -0.725 30 20 DBED N#Cc1ccc(S(=O)(=O)NCCOCC(N)=O)c(F)c1 533097759 XDSKOGIVURGNDX-UHFFFAOYSA-N 301.299 -0.522 30 20 DBED N#Cc1cncc(N2CCN(C(=O)C(=O)NC3CC3)CC2)n1 564892783 OKCGBTJINLAVCI-UHFFFAOYSA-N 300.322 -0.725 30 20 DBED CNC[C@@H](C)CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 564991426 VUAIGMYHRSBQJZ-LLVKDONJSA-N 324.406 -0.192 30 20 DBED COc1cc(C#N)ccc1NC(=O)C(=O)N(C)[C@@H]1COC[C@H]1O 577431895 CQRACDFPARPADS-VXGBXAGGSA-N 319.317 -0.277 30 20 DBED CNC(=O)COc1ccc(C(=O)NCC#CCO)cc1OC 578906932 UDBVHBHKOHSYBB-UHFFFAOYSA-N 306.318 -0.455 30 20 DBED CC(C)[C@@H](C#N)N1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)CC1 593443045 CHMFOCKCIQSDEB-NWDGAFQWSA-N 314.411 -0.630 30 20 DBED C[C@H](N)CNC(=O)C(=O)N1CCN(c2ccsc2C#N)CC1 595282488 OTWPSUXSPYSOCM-JTQLQIEISA-N 321.406 -0.268 30 20 DBED CCN1CCCN(c2c(C#N)c(=O)n(C)c(=O)n2C)[C@H](C)C1 596269630 VZCIIYOGBIDYBC-LLVKDONJSA-N 305.382 -0.124 30 20 DBED C[C@@](O)(Cn1ccccc1=O)C(=O)N1CCN(CCC#N)CC1 602206420 LQINPQUEXWUZIJ-MRXNPFEDSA-N 318.377 -0.343 30 20 DBED CC(=O)N[C@@H](CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)C(N)=O 610114478 PCDCRSSWDRBXGC-STQMWFEESA-N 323.397 -0.941 30 20 DBED CNC(=O)CN1CCC(NC(=O)N2CC[C@@](F)(C#N)C2)CC1 615530545 BGPKPAHBOARIDO-CQSZACIVSA-N 311.361 -0.156 30 20 DBED C=CCN(C(=O)[C@@H]1CCCN(S(N)(=O)=O)C1)[C@@H](C)COC 617583994 UTANYHXEACPWGW-NWDGAFQWSA-N 319.427 -0.049 30 20 DBED CC#CC[C@H](CO)NC(=O)C(=O)Nc1ccc(OC)nc1OC 646953950 LUWFVHSECHGMKV-SNVBAGLBSA-N 321.333 -0.072 30 20 DBED COCCNC(=O)CNc1cccc(S(N)(=O)=O)c1C#N 754973114 IOPXWYVRVMTIPH-UHFFFAOYSA-N 312.351 -0.620 30 20 DBED Cn1cc(C(N)=O)cc1C(=O)OCCn1ncc(C#N)c1N 756271540 CIYUHMTZVDBGRO-UHFFFAOYSA-N 302.294 -0.369 30 20 DBED C#CCNS(=O)(=O)N1CCN(CCCCCCO)CC1 761032469 IMXFTVZWSNAVEF-UHFFFAOYSA-N 303.428 -0.376 30 20 DBED CCN1CCOC[C@@H]1C(=O)OCC(=O)N(CCC#N)CCC#N 769078594 PUPMQHCDHHYBIU-CYBMUJFWSA-N 322.365 -0.094 30 20 DBED C#CCOc1ccccc1NC(=O)C(=O)NCCn1ncnn1 773458345 FTXFUUKFVGMOLP-UHFFFAOYSA-N 314.305 -0.560 30 20 DBED C#C[C@H](C)NC(=O)NCCNS(=O)(=O)Cc1ccon1 773603485 IYRGWLKXZMYYDZ-VIFPVBQESA-N 300.340 -0.585 30 20 DBED C#CCOCCNC(=O)N1CCC[C@@H]1CS(=O)(=O)NC 784544860 KUZXLIWKHFOCRA-LLVKDONJSA-N 303.384 -0.641 30 20 DBED C#CCOCCNC(=O)C(=O)Nc1ccc(CC(N)=O)cc1 785157033 LPBUDYVIRPDUEX-UHFFFAOYSA-N 303.318 -0.581 30 20 DBED CCOC(=O)CON=C(C(=O)N(C)C[C@@H](C)O)c1cc[nH]n1 789988932 CIFANGYKQVVKJE-SECBINFHSA-N 312.326 -0.467 30 20 DBED N#CCNC(=O)CNS(=O)(=O)C1=Cc2ccccc2OC1 796217048 KAZGWJWVTHXITD-UHFFFAOYSA-N 307.331 -0.021 30 20 DBED C#C[C@@H](NC(=O)C(=O)N1CCC(C(=O)OC)CC1)[C@@H]1CCCO1 809307863 DFCUWQCLUIXENU-OLZOCXBDSA-N 322.361 -0.305 30 20 DBED C#Cc1ccccc1CC(=O)NS(=O)(=O)N1CCOCC1 810597699 KMIULPFPNPDJGX-UHFFFAOYSA-N 308.359 -0.096 30 20 DBED C#CCCS(=O)(=O)NC(=O)c1ccc(CNC(N)=O)cc1 810781629 GJIBKMOQNUEBGB-UHFFFAOYSA-N 309.347 -0.062 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)c2cnn(CC)n2)CC1 814836235 KVYRSXVMAQJHGT-UHFFFAOYSA-N 306.370 -0.642 30 20 DBED C#CCOCCNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 823855846 BNOWPFFNSVTHAJ-UHFFFAOYSA-N 307.335 -0.205 30 20 DBED C=CCCO[C@H](C)C(=O)NN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C=C[C@H]2O1 828691135 IDYIJCYVBLHWPO-LZQZFOIKSA-N 306.318 -0.063 30 20 DBED CCN(CCC#N)C(=O)COC(=O)C1(S(N)(=O)=O)CC1 845204849 KUJYWTRSSSOEJW-UHFFFAOYSA-N 303.340 -0.887 30 20 DBED C#CC[C@H](CCOC)NC(=O)N1CCN(CC(=O)N(C)C)CC1 875917204 BCXVIWMWBRMOOM-CQSZACIVSA-N 324.425 -0.170 30 20 DBED C#CC[C@@H](CO)NS(=O)(=O)C1CN(C(=O)C2CCCC2)C1 882342098 WLUSXUUECCUHPO-LBPRGKRZSA-N 314.407 -0.309 30 20 DBED C#CC1(O)CN(C(=O)c2cccc(C(=O)N3CC(O)(C#C)C3)c2)C1 890522585 NYGPXDNDSVYGFH-UHFFFAOYSA-N 324.336 -0.673 30 20 DBED C#CC[C@@H](CO)NC(=O)NCCS(=O)(=O)N1CCCC1 897940992 JHSZLWVBIYJSGN-NSHDSACASA-N 303.384 -0.905 30 20 DBED CNS(=O)(=O)c1ccc(C(=O)NCC#CCN(C)C)cn1 913521240 PZSJQOXTUYFOEJ-UHFFFAOYSA-N 310.379 -0.716 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[C@H]3COC(=O)N3)C2)[nH]1 937892074 TXXWOIXLCGTHGM-GXSJLCMTSA-N 317.305 -0.675 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](N(C)C(=O)c2cc(C(N)=O)c[nH]2)C1 939398729 ZJGLCZRYCQHTDS-MWLCHTKSSA-N 317.349 -0.054 30 20 DBED O=C(Cn1cnnc1O)N[C@@H]1CCCN(C(=O)C#CC2CC2)C1 950758042 CZYGQGORJKHTSB-GFCCVEGCSA-N 317.349 -0.496 30 20 DBED COc1ccc(C(=O)NC[C@H]2CCN2C(=O)[C@@H](C)C#N)nn1 952099449 PKWDDOBJZICRJO-VHSXEESVSA-N 303.322 -0.024 30 20 DBED C[C@@H](C#N)C(=O)N1CCC([C@H]2CCN(C(=O)C(N)=O)C2)CC1 952307714 NSHPZHRYDJAGDR-JQWIXIFHSA-N 306.366 -0.282 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2cn3c(n2)COCC3)C1 958180095 YFMWARNKZTVEDZ-DGCLKSJQSA-N 304.350 -0.931 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CN(C(=O)c3ncn(C)n3)C[C@H]2C1 961509619 SLYUQRFISNRGAC-MXWKQRLJSA-N 302.338 -0.495 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@H](NC(=O)[C@H]2CCNC(=O)C2)C1 962246832 YUMCOHCJORFVRR-TUAOUCFPSA-N 323.393 -0.587 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)c1cc[n+]([O-])cc1 964069323 GVBSROOAAVDUBF-YPMHNXCESA-N 318.333 -0.563 30 20 DBED COCC(=O)N1CC2(C1)CN(C(=O)c1cc(C#N)c[nH]1)CCO2 965347348 FKGHGBUVNXKCIO-UHFFFAOYSA-N 318.333 -0.414 30 20 DBED COCCn1cc(C(=O)N[C@H]2CN(CC#N)CC[C@H]2C)nn1 966000871 TXGLSBLFGZXZDK-NEPJUHHUSA-N 306.370 -0.112 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CN(CC(=O)NC)CC[C@H]2C)nn1 968406192 YLDWLQIMNHZSNX-VXGBXAGGSA-N 320.397 -0.350 30 20 DBED C=C1CC(C)(C(=O)N2C[C@H](O)[C@H](NC(=O)Cc3nc[nH]n3)C2)C1 970788269 HHCJMRXQXAIURX-MNOVXSKESA-N 319.365 -0.609 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@H]1CN2CCN1C(=O)CNC1=O 971192571 NDCPNVPEOYNLSR-TUAOUCFPSA-N 319.365 -0.627 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)c3cc(=O)n(C)cn3)C2)C1 972417497 YEJOONCEQOJGRZ-MRXNPFEDSA-N 316.361 -0.670 30 20 DBED C=CCn1cc(C(=O)N[C@H]2C[C@@H](NC(=O)c3cnon3)C2)nn1 974143017 BLXYWSHCVLCDEC-DTORHVGOSA-N 317.309 -0.462 30 20 DBED C#CCN1C[C@H]2[C@H](CNC(=O)c3ccc(=O)n(CC)n3)[C@H]2C1 978870444 PFHPFOZRRFQAHL-XYYAHUGASA-N 300.362 -0.196 30 20 DBED O=C1CC[C@H](C(=O)NC[C@@H]2CCN(C(=O)C#CC3CC3)C2)CN1 982740694 ZOZVHFYBCIRGRL-KBPBESRZSA-N 317.389 -0.109 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H](N(C)C(=O)Cn2cnnc2O)C1 984585474 LRACAUSSRQAYOY-QWRGUYRKSA-N 320.353 -0.407 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H](NC(=O)[C@@H]2CCCN2C(N)=O)C1 989266790 KHTFLEZPWNAGGY-WOPDTQHZSA-N 321.381 -0.204 30 20 DBED C=C(C)CN[C@@H]1C[C@H](C)N(C(=O)c2cn(C)c(=O)n(C)c2=O)C1 989510492 HCPUOTDUENASQZ-NWDGAFQWSA-N 320.393 -0.147 30 20 DBED N#Cc1cc(C(=O)NC2CN(C(=O)c3nccnc3N)C2)c[nH]1 990920073 LVAJSVLDVTXYNB-UHFFFAOYSA-N 311.305 -0.487 30 20 DBED C=CCn1cc(C(=O)NC2CN(C(=O)[C@@H]3CCOC3)C2)nn1 991674402 WRFKWYFPDGJOQJ-SNVBAGLBSA-N 305.338 -0.559 30 20 DBED N#Cc1ccc(C(=O)N2CC(NC(=O)[C@H]3CC[C@@H]3C(N)=O)C2)[nH]1 997406193 QHAAOXHPRPPUJP-QWRGUYRKSA-N 315.333 -0.662 30 20 DBED N#CCN1CC[C@@H](n2cc(CNC(=O)c3cncnc3)nn2)C1 999987761 XTMAKCAKCOXWBH-CYBMUJFWSA-N 312.337 -0.232 30 20 DBED C[C@@H](C#N)C(=O)N1CCNC(=O)CCN(C(=O)[C@@H]2C[C@H]2C)CC1 1001764105 QWKWSWIJCDELSZ-FRRDWIJNSA-N 320.393 -0.021 30 20 DBED C=CCCN1CCC(CNC(=O)c2cn(CC(N)=O)nn2)CC1 1002154774 BTLYHQHXDGQSCS-UHFFFAOYSA-N 320.397 -0.219 30 20 DBED CN(C[C@H]1CCCN1C(=O)CC(N)=O)C(=O)c1c[nH]c(C#N)c1 1002291789 DIHJTVITEPSIAD-GFCCVEGCSA-N 317.349 -0.175 30 20 DBED C[C@H](C#N)C(=O)N1CC(CNC(=O)c2ccc(=O)n(C)n2)C1 1004570625 IROWPJCGYLQKOK-SECBINFHSA-N 303.322 -0.872 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)c2cnn[nH]2)C1 1006388710 JFKIKRATGRIEDF-NDMJEZRESA-N 319.365 -0.028 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)c2cnn[nH]2)C1 1006907697 MFRYDWIACAEYOF-XWIASGKRSA-N 319.365 -0.028 30 20 DBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H]2C(NC(=O)C(N)=O)[C@H]2C1 1013688767 KMTUHUXWNXVVCO-ZPFDUUQYSA-N 321.377 -0.584 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)c2cnn(C)c2N)[C@@H]1C 1020535639 NOJRPHKJOSJZSH-QXEWZRGKSA-N 304.354 -0.119 30 20 DBED O=C1NC[C@@H](C(=O)N2C[C@@H]3CCN(C(=O)C#CC4CC4)[C@@H]3C2)N1 1021590654 IRRHAWUEWKSMEI-RWMBFGLXSA-N 316.361 -0.860 30 20 DBED O=C(C#CC1CC1)N1C[C@@H](O)[C@H](NC(=O)[C@@]23COC[C@@H]2C3)C1 1024076083 AKZYQNOBCKPSQW-VLXAULBPSA-N 304.346 -0.876 30 20 DBED Cc1nc(C)c(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2O)[nH]1 1025699156 MCJWNKDMANSVJN-WHGOUJPWSA-N 305.338 -0.512 30 20 DBED C=CCN1CCC[C@@H]1CNC(=O)c1cn(C)c(=O)n(C)c1=O 1028178762 QMYZCCZJGDYVMH-LLVKDONJSA-N 306.366 -0.536 30 20 DBED C#CCN1[C@H]2CC[C@H]1CN(C(=O)c1cn(C)c(=O)n(C)c1=O)C2 1029499742 RKMRYKNZFQDDFH-RYUDHWBXSA-N 316.361 -0.994 30 20 DBED N#CCN1CC(CNC(=O)c2sccc2-n2cnnn2)C1 1031808450 DWXBETBFHJZRDK-UHFFFAOYSA-N 303.351 -0.091 30 20 DBED N#CCN[C@H]1CC[C@H](NC(=O)c2nccnc2C(N)=O)CC1 1034790560 NUCRYRMZUFXYFY-MGCOHNPYSA-N 302.338 -0.270 30 20 DBED CC#CCN1CC2(CCN(C(=O)CN3CCNC(=O)C3)CC2)C1 1035765311 VZLVNTFBITUIFF-UHFFFAOYSA-N 318.421 -0.634 30 20 DBED C#CCN[C@@H]1CCN(C(=O)CN2CCN(C)C(=O)C2)C[C@H]1C 1036079108 GKLQPMVSHSQXOQ-ZIAGYGMSSA-N 306.410 -0.780 30 20 DBED C#CCN[C@H]1CCN(C(=O)CCn2ncn(C)c2=O)C[C@@H]1CC 1037887833 RTMAKAIUFGEHBK-KBPBESRZSA-N 319.409 -0.178 30 20 DBED C#CCCCC(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2COCCO2)C1 1039574200 OZWCAMQVYACOTB-XJKSGUPXSA-N 324.377 -0.715 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@]1(O)CCN(C(=O)C#CC2CC2)C1 1039579756 KBZFMAGYBAGKKX-IRXDYDNUSA-N 320.389 -0.194 30 20 DBED C#CCOCCC(=O)NC[C@@]1(O)CCN(C(=O)[C@H]2C[C@@H]2C)C1 1039722521 WWQMMPRZQXGKKX-XEZPLFJOSA-N 308.378 -0.238 30 20 DBED C=CCOCC(=O)N1CC[C@@](O)(CNC(=O)c2nc(C)c[nH]2)C1 1039832589 QMXQHDNODNTWKL-OAHLLOKOSA-N 322.365 -0.386 30 20 DBED C[C@@H]1CN(C(=O)C(N)=O)CC[C@H]1CN=c1cc[nH]c(C#N)n1 1040441262 JAMCCPXNEZTPQH-ZJUUUORDSA-N 302.338 -0.848 30 20 DBED CCO[C@H]1C[C@@H]1C(=O)NCC1(O)CN(C(=O)C#CC(C)C)C1 1041690658 NXOIEFIZWPXCFN-STQMWFEESA-N 308.378 -0.240 30 20 DBED C=CCN1CC[C@@]2(CCN(C(=O)CN3CC(=O)N(C)C3=O)C2)C1 1041785261 DPSFQKRQPXOELM-MRXNPFEDSA-N 320.393 -0.009 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)CCc2cn[nH]c2)C1 1041966966 YUYFGJZDQOSQHO-UHFFFAOYSA-N 306.366 -0.002 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)[C@H]2C[C@H](C)CO2)C1 1042799949 YGQLIVOJVBHRKZ-QWHCGFSZSA-N 308.378 -0.096 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)Cn2cc(C)cn2)C1 1042802245 HNFPEQPOWWJXDB-UHFFFAOYSA-N 318.377 -0.315 30 20 DBED CCNC(=O)CCC(=O)N1CC(O)(CNC(=O)C#CC(C)C)C1 1042937145 ZKZPSFKFYILTOO-UHFFFAOYSA-N 323.393 -0.748 30 20 DBED COc1nc(C(=O)N2CC(O)(CNC(=O)C#CC(C)C)C2)co1 1042942903 FQIGCRRAOLRNGS-UHFFFAOYSA-N 321.333 -0.354 30 20 DBED C=C(Cl)CN1CC(N(C)C(=O)C[C@@H]2NC(=O)NC2=O)C1 1042957565 ZSQBNBLKWGLGBO-VIFPVBQESA-N 300.746 -0.520 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)C1CN([C@H]2CCCNC2=O)C1 1042960531 PTERCAXJMFPQJW-GJZGRUSLSA-N 318.421 -0.495 30 20 DBED C#Cc1cncc(C(=O)N(C)C2CN(Cc3nnnn3C)C2)c1 1043822065 RHMVHCFCWIWJKA-UHFFFAOYSA-N 311.349 -0.457 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)c2cnco2)C1 1044127575 YCEWVTIKZUJHDG-UHFFFAOYSA-N 307.306 -0.982 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCN(C(C)=O)C2)C1 1044687620 GQRUFJNGQXJRCE-CYBMUJFWSA-N 323.393 -0.490 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)c2cc(C(N)=O)c[nH]2)C1 1045306549 XIAMTYBNXNCXKK-UHFFFAOYSA-N 320.349 -0.617 30 20 DBED C#CCN1[C@H]2CC[C@H]1CN(C(=O)c1cnc(O)n(C)c1=O)CC2 1045824732 YAXRHLNMYPNZNC-RYUDHWBXSA-N 316.361 -0.202 30 20 DBED C=CCN1CC[C@H](N2CCN(C(=O)[C@@H]3CCCNC3=O)CC2)C1 1046037809 ZMGDEUUIFXBAOF-LSDHHAIUSA-N 320.437 -0.083 30 20 DBED CC(=O)CCCC(=O)N(C)[C@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1O 1048231342 MZQJLMSSOKJAHH-DRZSPHRISA-N 309.366 -0.065 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2COCCO2)C1 1048328004 VGTRXRXXRQGDBP-MELADBBJSA-N 324.377 -0.909 30 20 DBED CN(C(=O)C#CC1CC1)[C@H]1CN(C(=O)C2=CCOCC2)C[C@@H]1O 1048821503 PKXKJOUTOGGNIX-GJZGRUSLSA-N 318.373 -0.223 30 20 DBED N#CCN1C[C@H]2CN(C(=O)C[C@@H]3CCS(=O)(=O)C3)C[C@H]2C1 1048924306 ZQBBIWHIJMWJJX-RWMBFGLXSA-N 311.407 -0.275 30 20 DBED C=CCCCC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CCC(=O)N2)C[C@@H]1O 1049356252 RUZQECXKAITBGG-AVGNSLFASA-N 323.393 -0.349 30 20 DBED C[C@H](NC(=O)CC(N)=O)[C@@H]1CCN(C(=O)CSCC#N)C1 1050098005 NPZVAAPAQNAHJU-VHSXEESVSA-N 312.395 -0.528 30 20 DBED C#CCN1C[C@@H]2CCCN(C(=O)CC[C@H]3NC(=O)NC3=O)[C@@H]2C1 1050196632 KQDFQMKXWOSGTF-YNEHKIRRSA-N 318.377 -0.469 30 20 DBED C=CCOCC(=O)N1CC[C@H]([C@H](C)NC(=O)CNC(N)=O)C1 1050297555 NLZJRQDEIRKYPH-QWRGUYRKSA-N 312.370 -0.790 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(CCN(CC(N)=O)CC2)C1 1050670700 PUSVAFAPZHQFDJ-OLZOCXBDSA-N 307.394 -0.013 30 20 DBED N#CCN1CCOC[C@@H]1CNC(=O)c1ccnc2[nH]nnc12 1051017341 ONULRNIWFAVNBI-VIFPVBQESA-N 301.310 -0.693 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)c1c(C)c(C)nn(C)c1=O 1051054602 CMLNPCRWTYZTBI-CYBMUJFWSA-N 318.377 -0.539 30 20 DBED C#CCN1CCN([C@H]2CCN(C(=O)c3[nH]nnc3C)C2)CC1 1052060441 DNMZCSGGRSMMBT-ZDUSSCGKSA-N 302.382 -0.422 30 20 DBED C=CCN1CCN([C@@H]2CCN(C(=O)Cc3nc[nH]n3)C2)CC1 1052106426 KUKBJAARTOSPSE-CYBMUJFWSA-N 304.398 -0.248 30 20 DBED CNC(=O)CC(=O)N1C[C@H](CNC(=O)C#CC2CC2)[C@@H](C)C1 1052434115 CLWHOYHOGRUDGL-AAEUAGOBSA-N 305.378 -0.253 30 20 DBED CC(=O)NCC(=O)NC[C@@H]1CN(C(=O)C#CC(C)C)C[C@@H]1C 1052529846 NMOKZFZCUSJALY-GXTWGEPZSA-N 307.394 -0.007 30 20 DBED C[C@@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1CNC(=O)C#CC1CC1 1052662405 TXWMPPPKTAEVCI-YPMHNXCESA-N 316.365 -0.703 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)CN1CCCC1=O)CCO2 1053149321 KJQSTWYTPICROE-UHFFFAOYSA-N 305.378 -0.455 30 20 DBED C#CCN1CC2(C1)CN(C(=O)c1c(C)nn(C)c1OC)CCO2 1053454093 QNTQVWMZZXQPJD-UHFFFAOYSA-N 318.377 -0.103 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)c3cnc4[nH]nnc4c3)CO2)C1 1053830901 OMBWOGCXBJGYLB-SNVBAGLBSA-N 313.321 -0.550 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)c3cnn4ccncc34)CO2)C1 1053831315 ZLVHQJLCLZDODM-LLVKDONJSA-N 312.333 -0.174 30 20 DBED C=C[C@](C)(O)CC(=O)N1[C@H]2CC[C@@H]1C[C@H](CNC(=O)C(N)=O)C2 1054504257 IHALQWZGZFGFJY-BUWBCJGYSA-N 323.393 -0.315 30 20 DBED C[C@@H]1CN(C(=O)Cn2nnc(-c3ccco3)n2)C[C@@H]1NCC#N 1054837878 GZQVTVOBVJIJIE-MNOVXSKESA-N 315.337 -0.107 30 20 DBED C=CCCC(=O)N[C@@]1(CO)CCCN(C(=O)[C@@H]2CCC(=O)N2)C1 1055824401 STXXFHZNSSVHLD-LRDDRELGSA-N 323.393 -0.299 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCN(CCO)C(=O)C1CCC1 1056765814 KXJXTCXZMVXLRL-HNNXBMFYSA-N 321.421 -0.179 30 20 DBED C#CCNC(=O)CC(=O)N(CCO)CCNC(=O)/C=C/C1CC1 1057390638 JKHWUKJQULXCOK-AATRIKPKSA-N 321.377 -0.971 30 20 DBED CN1CC[C@H](C(=O)NCCN(CCO)C(=O)C#CC(C)(C)C)C1 1057541314 UJIFOHCNCWBUGB-AWEZNQCLSA-N 323.437 -0.075 30 20 DBED C=CCO[C@H](C)C(=O)N(CCO)CCNC(=O)[C@H](O)C(C)C 1057921401 GVGULRRVBIPSCK-CHWSQXEVSA-N 316.398 -0.469 30 20 DBED CC[C@@H]1CCO[C@@H]1C(=O)N(CCO)CCNC(=O)[C@H](C)C#N 1057967001 YEEJNPFWFYTPOK-UPJWGTAASA-N 311.382 -0.102 30 20 DBED C=CCC(C)(C)C(=O)NCCN(CCO)C(=O)c1cnn[nH]1 1058058960 KASZNFWEHYNLJJ-UHFFFAOYSA-N 309.370 -0.042 30 20 DBED Cc1c(C(=O)N[C@H]2CCN(c3nccnc3C#N)C2)nnn1C 1058334741 UKGUAPAFPADJHL-JTQLQIEISA-N 312.337 -0.206 30 20 DBED N#Cc1cncc(N2CC[C@@H](NC(=O)[C@H]3CCCNC3=O)C2)n1 1058467280 IGNHQGOTEFJOGL-PWSUYJOCSA-N 314.349 -0.431 30 20 DBED Cc1nc(O)[nH]c1C(=O)NCCN(CCO)C(=O)[C@H](C)C#N 1058659266 WFTOMONGRNXITQ-MRVPVSSYSA-N 309.326 -0.866 30 20 DBED C=C[C@@](C)(CC)C(=O)N(CCO)CCNC(=O)CNC(N)=O 1058727924 FLGFOYKSCSSNDO-AWEZNQCLSA-N 314.386 -0.806 30 20 DBED C[C@@H](C#N)C(=O)NCC[C@@H]1CCN(C(=O)Cn2cnnn2)C1 1059130005 UHRJOUKZRKKXOU-WDEREUQCSA-N 305.342 -0.812 30 20 DBED C=CCOCC(=O)NC[C@@H]1COCCN1C(=O)c1ccon1 1061421848 VWPQRLJRXVDWQB-LLVKDONJSA-N 309.322 -0.166 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H]1COCCN1C(=O)[C@@H](C)CC 1061516789 ZZCLSWKSHUSXAV-QWHCGFSZSA-N 323.393 -0.484 30 20 DBED NC(=O)CCCC(=O)N1CCOC[C@H]1CNC(=O)C#CC1CC1 1061573725 XIMQZCVDWXGAQB-CYBMUJFWSA-N 321.377 -0.601 30 20 DBED C=CCC1(C(=O)NC[C@H]2COCCN2C(=O)C(N)=O)CCC1 1061869980 BXTVHLBQXOXSFP-NSHDSACASA-N 309.366 -0.438 30 20 DBED C=C[C@@](C)(O)CC(=O)NC1(CNC(=O)Cn2nccn2)CCC1 1063179480 WBPPQWGSANJWQI-CQSZACIVSA-N 321.381 -0.240 30 20 DBED N#Cc1nc(=NCC[C@@H]2CCCN(C(=O)CC(N)=O)C2)cc[nH]1 1063267450 PQCMTZDYHGAABX-NSHDSACASA-N 316.365 -0.314 30 20 DBED N#Cc1cccnc1N1CCO[C@H](CNC(=O)c2cnn[nH]2)C1 1063673509 ODPUAKNJZPFJGT-LLVKDONJSA-N 313.321 -0.293 30 20 DBED CC(C)C#CC(=O)NC1(CNC(=O)[C@@H]2CCNC2=O)CCC1 1063906354 CETXWPRGDNOSAT-GFCCVEGCSA-N 305.378 -0.063 30 20 DBED COCC1(C(=O)N2CCO[C@H](CNC(=O)[C@@H](C)C#N)C2)CC1 1065340133 FVINLPGGOMMLHQ-NWDGAFQWSA-N 309.366 -0.084 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CN(C(=O)CCCCC(N)=O)CCO1 1065618024 NARIJAOOUFFCIE-NWDGAFQWSA-N 324.381 -0.465 30 20 DBED C[C@H]1[C@H](Nc2nccnc2C#N)CCN1C(=O)Cn1ncnn1 1068902112 VNPKFXDSIWXSJM-VHSXEESVSA-N 313.325 -0.564 30 20 DBED Cc1[nH]nc(C(=O)N2C[C@H](n3ccnn3)[C@H](NCC#N)C2)c1C 1070162793 BSZFQPFYGWWMME-NEPJUHHUSA-N 314.353 -0.203 30 20 DBED C#CCCN1C[C@@H]2OC(=O)N([C@H]3CCN(C(=O)COC)C3)[C@@H]2C1 1070898790 CBFIEZUBDBEPPY-MJBXVCDLSA-N 321.377 -0.238 30 20 DBED CC#CCN1CCNC(=O)CCN(C(=O)c2cocn2)CC1 1070948655 VGHCSBBTILRKGG-UHFFFAOYSA-N 304.350 -0.038 30 20 DBED C[C@@H]1CN(C(=O)CN2CCOCC2)C[C@]2(CCN(CC#N)C2)O1 1071156823 NNDAMLNNRPZHLQ-GDBMZVCRSA-N 322.409 -0.466 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)CNC(N)=O)C[C@H]2C)C1 1071571071 YRYFLVZLHCGYDD-GHMZBOCLSA-N 308.382 -0.026 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1C 1072522665 XIOBXLKDUVHRCT-GHMZBOCLSA-N 307.354 -0.026 30 20 DBED C[C@H](C#N)C(=O)N1CC(N2CCN(C(=O)CCN(C)C)CC2)C1 1073598497 AGJGQDASNUZUTR-CYBMUJFWSA-N 321.425 -0.547 30 20 DBED C=CCCN1CCCO[C@H](CNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 1073798435 GHZAXACWPNCFOA-NEPJUHHUSA-N 324.381 -0.632 30 20 DBED O=C(C#CC1CC1)NCC1(O)CCN(C(=O)c2nc[nH]n2)CC1 1074670151 UOJIFGPUWAHYMC-UHFFFAOYSA-N 317.349 -0.699 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)c2cnc(N(C)C)cn2)C1 1076994890 ZOMCIMVLFCXCJP-CHWSQXEVSA-N 305.382 -0.106 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC(=O)N(CCC)C2)C1 1077756767 ITUNRJAXCBLYBJ-MGPQQGTHSA-N 309.410 -0.018 30 20 DBED C=C[C@](C)(O)CC(=O)N(C)[C@H]1CCCN(C(=O)C(N)=O)CC1 1078937015 SEUWTAUPYMMVKZ-NHYWBVRUSA-N 311.382 -0.362 30 20 DBED CCOCC(=O)NC[C@H]1CN(C(=O)CSCC#N)C[C@@H]1O 1081211810 DYRKQYBFVSMHSN-QWRGUYRKSA-N 315.395 -0.785 30 20 DBED C=C(C)C(C)(C)C(=O)NC[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1O 1081643374 TYMZXBLIMGEUOD-GHMZBOCLSA-N 321.381 -0.044 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1N[C@H]1CCC(=O)NC1=O 1082504508 AOVPOANPEAQBOI-KGYLQXTDSA-N 303.362 -0.359 30 20 DBED C#Cc1ccc(C(=O)N2CCO[C@@H]3CN(CCCO)C[C@@H]32)cn1 1083253433 OPYAVTWIVCKVPO-JKSUJKDBSA-N 315.373 -0.030 30 20 DBED C=C(C)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)CN1C(=O)CNC1=O 1083268677 OOXHZRORXMMCSE-NWDGAFQWSA-N 322.365 -0.974 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 1083459555 PUHQLDOCWHZTJU-RTXFEEFZSA-N 319.365 -0.890 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCCc3nccn32)C1 1083524141 JKVHLBVUIKVTFN-RDBSUJKOSA-N 302.378 -0.055 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)c2ccnc3c2CC(=O)N3)C1 1083604404 WAODUZVTMUKAEZ-OLZOCXBDSA-N 316.361 -0.073 30 20 DBED N#CCN[C@H]1CCCCCN(C(=O)CN2CC(=O)NC2=O)C1 1088400618 UFJGOGONMZNZCW-NSHDSACASA-N 307.354 -0.577 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2cn(C)nc2COC)[C@@H](O)C1 1090371468 KQPIRJUVMZDNPJ-HIFRSBDPSA-N 320.393 -0.245 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1O 1090392077 ODYVOVRXPAYOOG-VXGBXAGGSA-N 303.322 -0.783 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2ncc(OC)cn2)[C@@H](O)C1 1090419186 FKSWLAFAMGZUOJ-STQMWFEESA-N 304.350 -0.327 30 20 DBED N#CCN1CC[C@@H](NC(=O)Cn2ncc3cccnc32)[C@@H](O)C1 1090436321 PTXLNKUFTNYISD-OLZOCXBDSA-N 314.349 -0.494 30 20 DBED CC#CCN1CC[C@H](NC(=O)Cn2nnnc2C(C)C)[C@H](O)C1 1090633294 MQIAFQCIPLFUBV-QWHCGFSZSA-N 320.397 -0.629 30 20 DBED CO[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1NC(=O)CNC(C)=O 1090856806 PKIOYOBPYVNTCC-CHWSQXEVSA-N 317.349 -0.591 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1091118737 VHZPOXOHBFGUIX-OLZOCXBDSA-N 317.349 -0.393 30 20 DBED CNC(=O)CC(=O)NC[C@H]1C[C@@H](Nc2cnc(C#N)cn2)C1 1091340337 OCLVMHCAZYZCGV-AOOOYVTPSA-N 302.338 -0.209 30 20 DBED N#Cc1ccc(N[C@H]2C[C@H](CNC(=O)Cn3cnnn3)C2)nn1 1091425666 BNLXZXHGSJGWKX-HOMQSWHASA-N 313.325 -0.658 30 20 DBED CC[C@@H]1[C@@H](NC(=O)CNC(N)=O)CCN1c1ccc(C#N)nn1 1091754798 KOYPGFZJOLIQJJ-WDEREUQCSA-N 317.353 -0.510 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CCN(c2cc(F)ncn2)[C@@H]1C 1091958186 UTRHTYRBMRFZGG-MNOVXSKESA-N 319.340 -0.161 30 20 DBED N#Cc1nc(NCCNC(=O)Cn2cnnn2)sc1Cl 1093506251 LOYORUFCLFPZSM-UHFFFAOYSA-N 312.746 -0.117 30 20 DBED N#Cc1c[nH]ccc1=NCCNC(=O)c1cc(C(N)=O)ccn1 1093717863 UDBVAODGWWVKSY-UHFFFAOYSA-N 310.317 -0.289 30 20 DBED N#Cc1nc(=NCCNC(=O)[C@H]2CN3CCC[C@H]3CO2)cc[nH]1 1094203469 TYQODIMAHSOKJB-NWDGAFQWSA-N 316.365 -0.839 30 20 DBED C#CCNC(=O)CC(=O)NCCCNc1cc(C)nc(CO)n1 1094371576 NKWBKNUFPPGWPB-UHFFFAOYSA-N 319.365 -0.665 30 20 DBED CC#CCN1CC(N2C[C@H](NC(=O)C3CCOCC3)CC2=O)C1 1094694025 WISJPYDLQFNTDD-CQSZACIVSA-N 319.405 -0.162 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)c3cnsn3)CC2=O)C1 1094708253 YHOQDTPPZNUKGO-SECBINFHSA-N 305.363 -0.814 30 20 DBED C=C(C)CN1CC(N2C[C@@H](NC(=O)[C@@H]3COC(=O)N3)CC2=O)C1 1094730334 YHBCZUCONQETAU-JQWIXIFHSA-N 322.365 -0.928 30 20 DBED COCCO[C@H](C)C(=O)N1CC[C@@H](N=c2cc[nH]c(C#N)n2)C1 1095058187 FDKKMCVYFVENIF-VXGBXAGGSA-N 319.365 -0.166 30 20 DBED COC[C@@H](OC)C(=O)NCCCN(C)c1cnc(C#N)cn1 1095733557 HZIKNDXNAIZDBG-GFCCVEGCSA-N 307.354 -0.048 30 20 DBED N#Cc1ccc(N2CC[C@H](NC(=O)CCn3cnnn3)C2)nc1 1096415142 JFEYCPYAZIVTQS-LBPRGKRZSA-N 312.337 -0.275 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CCN(c2nccn3nnnc23)C1 1096442771 UNXVYKCQHAJGQU-WDEREUQCSA-N 315.337 -0.748 30 20 DBED C[C@H](CC(=O)N[C@H]1C[C@@H](Nc2ccc(C#N)nn2)C1)NC(N)=O 1097225493 YSVXGEKEOMGVLE-IEBDPFPHSA-N 317.353 -0.146 30 20 DBED Cc1cc(=N[C@H](C)CNC(=O)Cn2cnnn2)c(C#N)c[nH]1 1097696497 NQHWLXVEMJGEKL-SNVBAGLBSA-N 300.326 -0.713 30 20 DBED Cc1cc(C#N)nc(N[C@H](C)CNC(=O)[C@H]2CNC(=O)N2)n1 1098249996 FYWZBGWVJRCROV-PSASIEDQSA-N 303.326 -0.745 30 20 DBED C[C@@H](CCNC(=O)CN1CCOCC1)Nc1nccnc1C#N 1099091779 QJXJCQVOAPJVAC-LBPRGKRZSA-N 318.381 -0.013 30 20 DBED C[C@H](CCNC(=O)[C@H]1C[C@H]1C(N)=O)Nc1cncc(C#N)n1 1099692134 VMAUOGRCXUAGFZ-IEBDPFPHSA-N 302.338 -0.224 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2ccn(C)c2)[C@@H](O)C1 1099766523 LYCJJCHLNWFSMN-GJZGRUSLSA-N 305.378 -0.160 30 20 DBED C#CCCCC(=O)N[C@H]1CCN(CC(=O)NCC#C)C[C@@H]1O 1099804048 HDZGSJHFKVKIMD-KBPBESRZSA-N 305.378 -0.909 30 20 DBED C#CCCCC(=O)N[C@@H]1CCN(Cc2nnn(C)n2)C[C@@H]1O 1099806786 GQEAYGOCCFXQKI-NEPJUHHUSA-N 306.370 -0.935 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CCCn2cncn2)[C@@H](O)C1 1100065062 WXCZUVYCGGPGSM-KGLIPLIRSA-N 305.382 -0.367 30 20 DBED C=CCCCN1CC[C@H](NC(=O)CS(=O)(=O)CC)[C@@H](O)C1 1100129775 RTFPYODQYAUIAW-STQMWFEESA-N 318.439 -0.061 30 20 DBED COC[C@H](O)CNC1CC(CNC(=O)c2c[nH]c(C#N)c2)C1 1100254815 NDRZEQNTYJOKTM-MMWSSPAHSA-N 306.366 -0.008 30 20 DBED CN(CCNC(=O)c1cn(C)c(=O)cn1)c1cncc(C#N)n1 1100417941 RZIPMVIFUGCRBC-UHFFFAOYSA-N 313.321 -0.692 30 20 DBED CCN(CCNC(=O)c1cnn(C)c1N)c1ccnc(C#N)n1 1100499917 NHVXYZUOYMKOCA-UHFFFAOYSA-N 314.353 -0.080 30 20 DBED CCN(CCNC(=O)c1cn(C)nn1)c1ccnc(C#N)n1 1100506231 LGZKKNRBUIEIOW-UHFFFAOYSA-N 300.326 -0.267 30 20 DBED C=CCNC(=O)CNC1CC(CNC(=O)c2cnc(O)n2C)C1 1100563587 NYRCRJYIAQDRJI-UHFFFAOYSA-N 321.381 -0.474 30 20 DBED N#Cc1nccnc1N1CCC[C@H]1CNC(=O)CNC(N)=O 1100779455 KTCRFHPODSOOTI-VIFPVBQESA-N 303.326 -0.898 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)[C@H]2CCCOC2)C1 1101802271 XVUMITJYTCDZHV-QLFBSQMISA-N 321.421 -0.154 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1CNC(=O)Cc1ccc(C(N)=O)nc1 1102089935 UZWWNZANFKNBFI-DGCLKSJQSA-N 315.377 -0.069 30 20 DBED C=CCN1C[C@@H](C)[C@H](CNC(=O)CS(=O)(=O)N(C)C)C1 1102536503 FKJKNRFHENCRDU-VXGBXAGGSA-N 303.428 -0.252 30 20 DBED CNC(=O)CC(=O)N(C)[C@@H]1CCN(c2nccnc2C#N)C1 1102698053 UTPGIXMTZOPWCN-SNVBAGLBSA-N 302.338 -0.479 30 20 DBED Cc1nsc(NC[C@H](O)CNC(=O)[C@H]2CCC(=O)N2)c1C#N 1105750109 HJWQGYJTLALBGW-PSASIEDQSA-N 323.378 -0.509 30 20 DBED Cc1nc(NC[C@H](O)CNC(=O)[C@H]2CCC(=O)N2)ccc1C#N 1105751176 WQFDTRSYGFKPHL-NWDGAFQWSA-N 317.349 -0.571 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@H](O)CNc1nc(C)cc(C#N)n1 1105805503 BQOLNQXJGRCFTD-IUODEOHRSA-N 319.365 -0.127 30 20 DBED COCCOCCC(=O)NC[C@H](O)CNc1cnc(C#N)cn1 1105881223 UPVHPNXVNUMGHH-GFCCVEGCSA-N 323.353 -0.710 30 20 DBED Cc1c[nH]c(C(=O)NC[C@@H](O)CNc2nccnc2C#N)n1 1106134964 KHFDPAZWTCTJHE-VIFPVBQESA-N 301.310 -0.417 30 20 DBED C[C@@H](CCNc1cnc(C#N)cn1)NC(=O)CCn1cnnn1 1106418302 GNSZCNOVLMROKA-JTQLQIEISA-N 315.341 -0.268 30 20 DBED C[C@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)[C@]1(C)CCC(=O)N1 1106556887 JGXQERIBEDUEHV-BMIGLBTASA-N 316.365 -0.254 30 20 DBED N#Cc1cnc(NC/C=C/CNC(=O)[C@@H]2CNC(=O)N2)cn1 1107490090 RIZPRVBLADAIJO-YOLVWIGZSA-N 301.310 -0.886 30 20 DBED C[C@H](C(=O)NC/C=C/CN=c1cc[nH]cc1C#N)S(C)(=O)=O 1107577183 VZERGHGHAYFGCT-PGLGOXFNSA-N 322.390 -0.107 30 20 DBED C[C@@]1(CNC(=O)C#CC2CC2)CN([C@@H]2CCNC2=O)CCO1 1107933020 WUIWMIUWRLGCGV-CZUORRHYSA-N 305.378 -0.505 30 20 DBED C[C@]1(CNC(=O)c2ccc(C(N)=O)[nH]2)CN(CC#N)CCO1 1108220179 OFXUYPXGXUKQLK-AWEZNQCLSA-N 305.338 -0.542 30 20 DBED C#CCN1CCN(C(=O)C#CC(C)C)[C@@H]2CS(=O)(=O)C[C@@H]21 1108472395 SYMGTUOJUKNYHQ-UONOGXRCSA-N 308.403 -0.411 30 20 DBED C=C[C@@H](CC)CC(=O)N[C@H]1CC(=O)N(C2CN(CCO)C2)C1 1108567182 YBLUVWSNRNBJEY-STQMWFEESA-N 309.410 -0.018 30 20 DBED C=CCCCC(=O)N[C@H]1CC(=O)N(C2CN(CC(=O)NC)C2)C1 1108567769 AZEIPAANENCUFQ-LBPRGKRZSA-N 322.409 -0.510 30 20 DBED C[C@H](CN(C)c1cnc(C#N)cn1)NC(=O)[C@H]1COCCN1C 1108942799 DTMUUBOUNBJZTC-DGCLKSJQSA-N 318.381 -0.380 30 20 DBED CC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCS(=O)(=O)NC 1109278159 QMHGAKPDZXVENC-AGIUHOORSA-N 313.423 -0.330 30 20 DBED N#Cc1ccc(NC[C@H](NC(=O)[C@H]2COC(=O)N2)C2CC2)nn1 1109832498 HOVISQMDFKSRHK-WDEREUQCSA-N 316.321 -0.237 30 20 DBED C=CCOCC(=O)NC[C@@]1(O)CCN(c2nccnc2C#N)C1 1111040065 WBBSOUKQHJJPRQ-HNNXBMFYSA-N 317.349 -0.392 30 20 DBED Cc1cc(C#N)nc(NCCN(CCO)C(=O)CCN(C)C)n1 1111553816 VFPPZAJZQYLRLD-UHFFFAOYSA-N 320.397 -0.159 30 20 DBED N#Cc1ccc([N+](=O)[O-])c(NCCN(CCO)C(=O)C(N)=O)c1 1111557053 GDHMJZHFRMHEFC-UHFFFAOYSA-N 321.293 -0.815 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)CN2CCC[C@H]2C)CC1 1113346406 YXBUYDRZWUGCJJ-HUUCEWRRSA-N 320.437 -0.247 30 20 DBED C[C@H](CNC(=O)[C@@H]1CCC(=O)N1C)N(C)c1nccnc1C#N 1113811735 BHTRPCMUCCLOOW-PWSUYJOCSA-N 316.365 -0.090 30 20 DBED C[C@H](CNC(=O)[C@H]1CC(=O)N(C)C1)N(C)c1cnc(C#N)cn1 1113944290 ZBCLPTQIQLDHAO-MNOVXSKESA-N 316.365 -0.233 30 20 DBED C=C[C@](C)(O)CC(=O)NC1[C@H]2CN(Cc3cnnn3C)C[C@H]12 1114193883 IPEKTPRDXKXZPH-HUBLWGQQSA-N 305.382 -0.311 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)c3cc[nH]c3)[C@H]2C1 1114311222 JRJLLAUSTRNRKC-SCUASFONSA-N 300.362 -0.187 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)[C@H]3CCN(C)C3=O)[C@@H]2C1 1114714632 WKKUBNJNWVBANK-JHJVBQTASA-N 305.378 -0.839 30 20 DBED C=C(C)C[C@H](C)C(=O)NC1[C@H]2CN(CC(=O)NC(N)=O)C[C@H]12 1114722872 PICBTYIVMXKKSA-DCAQKATOSA-N 308.382 -0.170 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)CN(C)CCC)[C@H]2C1 1115161905 PBDUFIBMHJOFOU-IHRRRGAJSA-N 320.437 -0.488 30 20 DBED C=C(C)CN1C[C@@H]2C(NC(=O)CCS(=O)(=O)N(C)C)[C@H]2C1 1115282155 JRKMQMOUEYMGLD-RYUDHWBXSA-N 315.439 -0.110 30 20 DBED CC#CCNC1(CNC(=O)CN2CCNC(=O)C2)CCCCC1 1115663638 VARWTVKUHVQAHU-UHFFFAOYSA-N 320.437 -0.150 30 20 DBED C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N(C)CC(N)=O 1116508350 KEFHBGHTXOEUKF-SECBINFHSA-N 304.306 -0.140 30 20 DBED C[C@H](C[C@@H]1CCOC1)NC(=O)C(=O)N1CC[C@](O)(CC#N)C1 1118215442 NXSGXSJHIABBAI-TYNCELHUSA-N 309.366 -0.205 30 20 DBED C#CCCCCNC(=O)C(=O)N1C[C@H](C)O[C@H](C(=O)OC)C1 1118353723 HNZPGIDFCDNBAO-RYUDHWBXSA-N 310.350 -0.305 30 20 DBED C[C@H](CN(C)C(=O)[C@H]1CCNC1=O)Nc1cncc(C#N)n1 1120408162 LLKSSDGHENAVMF-KOLCDFICSA-N 302.338 -0.257 30 20 DBED CC(=O)N(C)CC(=O)NC[C@@H](CO)Nc1ccc(C#N)nc1 1121085801 BXAOJIUKQXVPJN-ZDUSSCGKSA-N 305.338 -0.679 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)c2nccnc2N)nc1 1121228541 JYWIQPOSCUBWCL-SNVBAGLBSA-N 313.321 -0.472 30 20 DBED Cc1cc(C#N)nc(N[C@@H](CO)CNC(=O)c2cnc(C)[nH]2)n1 1121236375 YBDNCVYTVOMSIK-LLVKDONJSA-N 315.337 -0.109 30 20 DBED C=CCOCC(=O)NC[C@H](CO)Nc1cc(Cl)c(O)nn1 1121325403 ZNSBPLQDRFUEPB-MRVPVSSYSA-N 316.745 -0.073 30 20 DBED Cc1cc(C#N)nc(N[C@@H](CO)CNC(=O)C2=CCOCC2)n1 1121339320 IKTWQQFCIDSMMI-CYBMUJFWSA-N 317.349 -0.108 30 20 DBED CCn1nccc1C(=O)NC[C@@H](CO)Nc1nccnc1C#N 1121375375 AVKZURMRQZCUSZ-JTQLQIEISA-N 315.337 -0.233 30 20 DBED CN1CCC(C(=O)NC[C@@H](CO)Nc2cnc(C#N)cn2)CC1 1121717743 JFUYCKVGAVWYJJ-ZDUSSCGKSA-N 318.381 -0.421 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H](CO)Nc1cc(C)nc(CO)n1 1122037114 UDNKGIYUMFYVEK-RYUDHWBXSA-N 322.365 -0.795 30 20 DBED COCC#CCNC1CC2(C1)CC(NC(=O)Cn1cncn1)C2 1122156343 HKYUQKXYJUVTIA-UHFFFAOYSA-N 317.393 -0.055 30 20 DBED Cc1cc(=N[C@@H](CO)CNC(=O)c2cnco2)c(C#N)c[nH]1 1122294926 YWDZADASHODFBN-LLVKDONJSA-N 301.306 -0.126 30 20 DBED CO[C@@H](C(=O)NC[C@@H](CO)Nc1nccnc1C#N)C(C)C 1122445335 PKTXYJMFIRCFGH-CMPLNLGQSA-N 307.354 -0.092 30 20 DBED Cc1nc(N[C@H](CO)CNC(=O)C2(C(N)=O)CC2)ccc1C#N 1122452064 PKJORHLHBKVXGB-NSHDSACASA-N 317.349 -0.584 30 20 DBED COC(=O)NCC(=O)N1CC[C@@H](N=c2cc[nH]c(C#N)n2)[C@@H]1C 1122940074 BWAKIWHADUSXMM-VHSXEESVSA-N 318.337 -0.473 30 20 DBED CN(C[C@H](O)CNc1cnc(C#N)cn1)C(=O)[C@@H]1CCCN1C 1124207680 RBLYJRBYZAWMNG-OLZOCXBDSA-N 318.381 -0.326 30 20 DBED CO[C@H](C)C(=O)N(C)C[C@H](O)CN(C)c1ccc(C#N)nn1 1124958596 VUHCQYYQUACHNV-ZYHUDNBSSA-N 307.354 -0.361 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)c1ncoc1CC 1125109561 TXZGENZZZVIVQV-UHFFFAOYSA-N 323.353 -0.432 30 20 DBED Cc1ccc(F)c(OCC(=O)NCCNCC(=O)NCC#N)c1 1127305766 LZGZZNHLSWUMRP-UHFFFAOYSA-N 322.340 -0.142 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)Cc2ccn(CC)n2)C1=O 1127725943 OLXRJQRXNWDPGC-AWEZNQCLSA-N 319.409 -0.062 30 20 DBED C#CCO[C@H](C)C(=O)NCc1cnn2c1CN(C[C@H](C)O)CC2 1128363475 ZOXNEGUXYHXDQB-QWHCGFSZSA-N 320.393 -0.266 30 20 DBED CCOCCN[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1n1ccnn1 1129690023 DRAADWCPEZPPSG-UPJWGTAASA-N 306.370 -0.184 30 20 DBED COCC#CCNCCNC(=O)[C@]1(CC(C)C)CCNC1=O 1129878308 LQALMALQOQKUEP-INIZCTEOSA-N 309.410 -0.106 30 20 DBED C#CCN1CC[C@@H](c2n[nH]cc2CNC(=O)CS(C)(=O)=O)C1 1130355728 QNYSHUXPHWVXCJ-LLVKDONJSA-N 324.406 -0.507 30 20 DBED C=CCCC(=O)N1C[C@@H](NCC(N)=O)[C@H](c2cncn2C)C1 1130936162 YIIKEYKZZDPZJS-VXGBXAGGSA-N 305.382 -0.244 30 20 DBED N#CCN1C[C@H]2C[C@H]3CN(C(=O)CNC(=O)C4CC4)C[C@@]3(C1)O2 1131184636 SPLIENPOAWYZFO-WOSRLPQWSA-N 318.377 -0.662 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@@H](OCC)[C@@H]1CCOC1 1131885158 SSLNVHAWPSOBRG-OCCSQVGLSA-N 313.398 -0.564 30 20 DBED C[C@H]1CC[C@@H](NC(=O)COCc2ncnn2C)CN1CC#N 1132392817 QQHFXZMQZNLLDT-NWDGAFQWSA-N 306.370 -0.176 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@H](C)Cc1cnc[nH]1 1135072287 SYBLAFBHYXJSQV-VXGBXAGGSA-N 307.398 -0.015 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC2(CCN(CC(=O)NCC#N)C2)C1 1147441094 PRMQKJLUTBKPIY-HNNXBMFYSA-N 320.393 -0.512 30 20 DBED CN(C)CCC(=O)N1CC2(CCN(CC(=O)NCC#N)C2)C1 1148210149 GUIIXCXBGASTFZ-UHFFFAOYSA-N 307.398 -0.888 30 20 DBED C[C@H](C(=O)NC[C@@H]1CN(CC(=O)NCC#N)CCCO1)C1CC1 1149472611 GLQOMQHVJYBJTH-GXTWGEPZSA-N 322.409 -0.121 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)CN(C)C1CCC1 1153850819 FDIRLTLJDDFAFU-CYBMUJFWSA-N 323.441 -0.063 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)NCCCNC(=O)CCOC 1154033041 XFMRIBBYJHRTQN-NSHDSACASA-N 314.386 -0.481 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)CNC(=O)OC)C1=O 1155137507 GNGMHTKNXFUEFZ-NSHDSACASA-N 312.370 -0.775 30 20 DBED COCC#CCN1CC=C(CCNC(=O)CNC(N)=O)CC1 1159205689 AFISEGSWPBZBCE-UHFFFAOYSA-N 308.382 -0.557 30 20 DBED N#CCNC(=O)CNCC1(CCNC(=O)C[C@H]2CCOC2)CC1 1163904442 BSPFBMVWAVNAFQ-CYBMUJFWSA-N 322.409 -0.071 30 20 DBED C=C(C)CCNCCCNC(=O)[C@H](C)NC(=O)Cn1cnnn1 1170519202 BFSFJRSWUQRWHL-LBPRGKRZSA-N 323.401 -0.760 30 20 DBED CC#CCNCCCC[C@H](C)NC(=O)CN1C(=O)CNC1=O 1176485588 HBASRTLMTQYHSM-LBPRGKRZSA-N 308.382 -0.174 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)C2=COCCO2)[C@H]1C 1178059630 ZRBOIDADBDSQMQ-AGIUHOORSA-N 321.377 -0.409 30 20 DBED Cc1cc(C(=O)N2CC[C@H](NCC(=O)NCC#N)[C@@H]2C)on1 1178111067 MLTMIEKUBCJPIU-QWRGUYRKSA-N 305.338 -0.185 30 20 DBED C#CCNC(=O)CC(=O)NCCCCCCN[C@H](CC)C(N)=O 1178263053 YRGPDKOXAVCYJN-CYBMUJFWSA-N 324.425 -0.344 30 20 DBED C#CCNC(=O)CNC[C@]1(C)CN(C(=O)[C@H](C)C#N)C[C@H]1C 1180914061 OBHBQXAHFYRYTF-XJKCOSOUSA-N 304.394 -0.030 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](NCCOCC2CC2)C1 1182145679 UXPPNTMCHLJMNL-CQSZACIVSA-N 307.394 -0.257 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)CCn2cncn2)C1 1188895378 GLPIRGLYYKYLAY-CYBMUJFWSA-N 320.397 -0.497 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@@H](N(C)CCN2CCNC2=O)C1 1190106430 TZENLWIYALBLFY-ZIAGYGMSSA-N 322.409 -0.417 30 20 DBED C=CCNC(=O)[C@@H](C)N(C)[C@@H]1CCN(C(=O)C(C)(C)C(N)=O)C1 1190776211 NGNVCAYWWOXWOR-VXGBXAGGSA-N 324.425 -0.279 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2noc(CC)n2)C[C@H]1O 1192844232 MRKBLLLBCWTNHS-IJLUTSLNSA-N 322.365 -0.668 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)c2cnnc(O)c2)C1 1193960844 DWBONDPTDHUJBD-VXGBXAGGSA-N 308.338 -0.840 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)CC(C)=C(C)C)C1 1195350600 DDYKHFJVWRMZLU-ZIAGYGMSSA-N 307.394 -0.357 30 20 DBED C=CCN(CC=C)C(=O)CN1CCCN(C(=O)CC(N)=O)CC1 1195383404 NSXQUUFQZLXIPT-UHFFFAOYSA-N 322.409 -0.403 30 20 DBED C=CCCCC(=O)N[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1O 1195724881 FUDHJPOIOHFEQT-VXGBXAGGSA-N 319.427 -0.947 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)C(C)(F)F)C1 1196259847 LSPHZXDXOQXILY-GMTAPVOTSA-N 319.352 -0.259 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)c2ccnnc2)CC1 1197245503 YNFQTEIZONZMPP-UHFFFAOYSA-N 301.350 -0.626 30 20 DBED COCC#CCN1CCCN(C(=O)CCN2CCOCC2)CC1 1197447427 GBXRLNMUBFPNPB-UHFFFAOYSA-N 323.437 -0.107 30 20 DBED C#CCCNC[C@H]1CN(C(=O)Cn2cnnc2O)CCCO1 1200301121 VMVCOUGUMUTWRR-LBPRGKRZSA-N 307.354 -0.786 30 20 DBED CNC(=O)[C@H](C)NC[C@@H]1CN(C(=O)C#CC2CC2)CCCO1 1200452553 JCYMWBKXIXLZBB-GXTWGEPZSA-N 307.394 -0.259 30 20 DBED C#CCNC(=O)CN[C@@H]1C[C@H](NC(=O)c2cc[nH]n2)C12CCC2 1202472221 WFFMYOUKELOHNR-OLZOCXBDSA-N 315.377 -0.210 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@H](NC(=O)COCC=C)C12CCC2 1202634765 UZMJIPLHQZAFDU-KBPBESRZSA-N 319.405 -0.045 30 20 DBED C#CCNC1CCN(C(=O)CS(=O)(=O)NC(C)(C)C)CC1 1203755532 JMMYLBUBQWWUKL-UHFFFAOYSA-N 315.439 -0.082 30 20 DBED COCCN1C[C@H](C(=O)N2CCC(CNCC#N)CC2)CC1=O 1205414141 YJYVNUBRDVZFJT-CQSZACIVSA-N 322.409 -0.167 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)CCOCC)[C@H](C)C1 1206558514 DJLMQXYEVGLMAK-HZSPNIEDSA-N 309.410 -0.013 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)CNC(=O)CC)[C@H](C)C1 1206641742 ZZSHFMVBVYHTDF-JHJVBQTASA-N 322.409 -0.913 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)c2cn(C)nn2)[C@H](C)C1 1206928072 GCDLYJNDORRJTE-IJLUTSLNSA-N 320.397 -0.444 30 20 DBED CC#CCNCC1CCN(C(=O)c2cn(CC(N)=O)nn2)CC1 1206951165 APPUPAYLCCGLQV-UHFFFAOYSA-N 318.381 -0.772 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@@H](NCCn2cccn2)C1 1207871817 CGNURBUREWGWSV-CQSZACIVSA-N 317.393 -0.397 30 20 DBED COCC1(C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@H]2C)CC1 1207985365 RVJOQARNXIISBY-VXGBXAGGSA-N 308.382 -0.511 30 20 DBED COCC#CCN[C@H]1CCCN(C(=O)[C@@H]2CN(C)C(=O)N2)C1 1208962589 OIRBLLMSEOUCNJ-STQMWFEESA-N 308.382 -0.760 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)[C@@]2(C)CCNC2=O)C1 1209614733 QAENAYKWXQTXQS-LRDDRELGSA-N 322.409 -0.605 30 20 DBED C#CCCN1C[C@@H](NC(=O)CCS(=O)(=O)N(C)C)[C@H](C)C1 1211268777 VYCNTLPBBADBMM-CHWSQXEVSA-N 315.439 -0.272 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(Cc2cnnn2C)C[C@H]1OC 1213959538 PLGXILJSMBNENI-ZIAGYGMSSA-N 323.397 -0.277 30 20 DBED C#CCOCCC(=O)N1CCO[C@@H]2CN(C[C@@H](C)OC)C[C@@H]21 1217877568 ZVXHQZSUJIMOMR-QLFBSQMISA-N 310.394 -0.027 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H](F)CC 1218430282 QVPRZJUIJPKQRZ-FRRDWIJNSA-N 311.357 -0.605 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1C[C@H]1CC 1218658107 WHILXHQKRFMFJS-APIJFGDWSA-N 319.405 -0.307 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)CCc2ccco2)C1 1219176839 HKJSXEHJBCMGRX-KGLIPLIRSA-N 321.377 -0.324 30 20 DBED CCOCCCN1C[C@H](O)[C@H](NC(=O)CSCC#N)C1 1219217974 GJGMCWSENILYSO-NEPJUHHUSA-N 301.412 -0.169 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(CCn2nc(C)nc2C)C[C@@H]1O 1219363614 AYAFAMJYNAFWLY-KGLIPLIRSA-N 323.397 -0.741 30 20 DBED C[C@@]1(C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@@H]2O)C=CCC1 1220144507 IBESXBHNCGKTKR-TYNCELHUSA-N 306.366 -0.856 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)CN(C)Cc2ccccc2)C1 1221162908 MDWBIULERHINPO-CVEARBPZSA-N 301.390 -0.087 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@@H](NC(C)=O)C(C)(C)C)C1 1221182255 MPRAJBBMUBMHJO-HZSPNIEDSA-N 309.410 -0.278 30 20 DBED N#CCN[C@H]1CCCN(C(=O)CCCCCS(N)(=O)=O)C1 1222186011 SPGAWZMCRMJJNH-LBPRGKRZSA-N 316.427 -0.061 30 20 DBED CCNC(=O)NC(=O)CN1CCC(NC(=O)[C@H](C)C#N)CC1 1226626088 UBPIJDOKUZRNJK-SNVBAGLBSA-N 309.370 -0.428 30 20 DBED C=CCCCN1CCC(NC(=O)Cn2cnc(C(N)=O)n2)CC1 1227454476 RQCKWNIHHZEUNL-UHFFFAOYSA-N 320.397 -0.076 30 20 DBED Cn1ncc(C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NCC#N)n1 1229101807 UYDGTFJZCHSMIC-GHMZBOCLSA-N 319.369 -0.915 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)Cc1ccon1 1231395768 NHGGONCSJWEOOO-CYBMUJFWSA-N 304.350 -0.501 30 20 DBED C=CCNC(=O)CN[C@@H](C)CCNC(=O)C1CN(C(C)=O)C1 1281708119 WAVTZZQISCCROO-NSHDSACASA-N 310.398 -0.749 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N(C)CCOCC2CC2)nn1 1325947478 MWPCDHSAPFZZBQ-UHFFFAOYSA-N 321.381 -0.035 30 20 DBED N#C[C@]1(F)CCN(C(=O)C(=O)N[C@@H]2CCc3c[nH]nc3C2)C1 1326641609 FPYXCYYWIMKSKM-QMTHXVAHSA-N 305.313 -0.153 30 20 DBED N#Cc1ccc(NC(=O)C(=O)N2CCC(O)(CO)CC2)cc1 1327295978 XBWSBMCNHYWZMM-UHFFFAOYSA-N 303.318 -0.157 30 20 DBED C#CCOCCNC(=O)C(=O)NCC1CCN(C(C)=O)CC1 1328616054 CCTAZXBAPYGMBA-UHFFFAOYSA-N 309.366 -0.873 30 20 DBED C=CC[C@H](CC)NC(=O)C(=O)NC1CC(NS(C)(=O)=O)C1 1328644734 IPFFEOPMFHTHSN-WHXUTIOJSA-N 317.411 -0.346 30 20 DBED C#CCCCCNC(=O)C(=O)NC[C@@H]1CC[C@@H](C(=O)N(C)C)O1 1329047215 XQVCZYPTCYQIGF-STQMWFEESA-N 323.393 -0.342 30 20 DBED C=CC[C@@H](CC)NC(=O)C(=O)N1C[C@H]2C(=O)N(C)C(=O)[C@H]2C1 1330195889 BZEKKBQBKUYCAQ-MXWKQRLJSA-N 307.350 -0.470 30 20 DBED C=C(C)COCCn1nnnc1N(C)CCNC(=O)N(C)C 1335882734 XWPCUHTYSCGKJJ-UHFFFAOYSA-N 311.390 -0.027 30 20 DBED N#CCN1CCC(OC(=O)CCCN2C(=O)CNC2=O)CC1 1343312693 QTHNLESJGBVIMF-UHFFFAOYSA-N 308.338 -0.150 30 20 DBED C=CCC1(O)CCN(C(=O)C(=O)N2CC(=O)N(C)C[C@@H]2C)CC1 1345524754 XLDJFIQTHCSJFG-LBPRGKRZSA-N 323.393 -0.395 30 20 DBED CN(C)c1ncc(CNC(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)n1C 1345699436 MXYHIZFYPRLULQ-WDEREUQCSA-N 318.381 -0.089 30 20 DBED C=CCCOCCNC(=O)C(=O)N1CC[C@@H]2NC(=O)CC[C@H]2C1 1350802189 KLRTUFMMMBPUGY-STQMWFEESA-N 323.393 -0.178 30 20 DBED CC#CCn1nnnc1N1CCC[C@H](n2cc(CO)nn2)C1 1355790004 PUSRWTCYOAIJJR-LBPRGKRZSA-N 302.342 -0.378 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)NCCN1CCNC1=O 1365461466 JEACVFHOAAABKY-JTQLQIEISA-N 303.388 -0.672 30 20 DBED CC[C@@H](CNC(=O)c1cn(C)nn1)NC(=O)c1c[nH]c(C#N)c1 1390442971 OWIAPJOBQUAUGQ-JTQLQIEISA-N 315.337 -0.047 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1ccc2n[nH]cc2c1 1392157524 HQSYOSZMDAYMLZ-BXKDBHETSA-N 315.333 -0.071 30 20 DBED C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)C[C@H]1CCC(=O)N1 1397405361 KITJEWGJUSMSNV-GXSJLCMTSA-N 317.349 -0.210 30 20 DBED CCN(CCC#N)C(=O)CN1CC(NC(=O)[C@H]2CCOC2)C1 1400348409 JXYRNSSZGYFFKN-LBPRGKRZSA-N 308.382 -0.415 30 20 DBED CNC(=O)NC(=O)[C@@H](C)N1CCC(C)(NC(=O)[C@H](C)C#N)CC1 1402077058 OWEQMHFMAMSTIU-GHMZBOCLSA-N 323.397 -0.039 30 20 DBED C[C@@H](O)[C@@H]1CCCCN1C(=O)CCn1cc(C#N)c(O)nc1=O 1412739059 NQGLLLCNPYQTQG-PWSUYJOCSA-N 320.349 -0.027 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H](CNC(=O)c2cnn[nH]2)C2CC2)c1 1414869232 SBKCVEJPZRQQAG-LLVKDONJSA-N 313.321 -0.057 30 20 DBED Cc1nn(C)c(NC(=O)Cn2cc(C#N)c(O)nc2=O)c1C 1417611735 MJDBVQIHBARSQK-UHFFFAOYSA-N 302.294 -0.190 30 20 DBED CNC(=O)NCC(=O)NC[C@H](C)N(C)C(=O)c1c[nH]c(C#N)c1 1424191415 YLVRXWNGCZCGQL-VIFPVBQESA-N 320.353 -0.608 30 20 DBED CC(=O)N1CC[C@](C)(C(=O)N(C)CCNC(=O)[C@H](C)C#N)C1 1429454498 OQVDPXAJALHENG-ABAIWWIYSA-N 308.382 -0.021 30 20 DBED C[C@H](C#N)C(=O)NC1CN(C(=O)COCc2ccnn2C)C1 1432340248 NSQKFLXUMSECJW-SNVBAGLBSA-N 305.338 -0.577 30 20 DBED N#CC1(CNC(=O)NCC(=O)NCC(F)F)CCOCC1 1434838432 CSXVJZAGPLCFCP-UHFFFAOYSA-N 304.297 -0.013 30 20 DBED CO[C@H]1C[C@@H](NC(=O)Cn2cc(C#N)c(O)nc2=O)C12CCC2 1451110065 UOAHXCMDKLBKOG-MNOVXSKESA-N 318.333 -0.106 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CNC(=O)Cn2cncn2)CC1 1453834606 HLAXGHPXIDQQBJ-NSHDSACASA-N 304.354 -0.207 30 20 DBED CC(=O)N1CCC[C@H](C(=O)N(C)CCNC(=O)[C@@H](C)C#N)C1 1455434497 OEAMUDIVFPIRNX-AAEUAGOBSA-N 308.382 -0.021 30 20 DBED CCc1nc(C)c(C(=O)NC[C@H](O)CNC(=O)[C@H](C)C#N)o1 1458031207 ARCCIIBOBKMDGH-PSASIEDQSA-N 308.338 -0.088 30 20 DBED COC(=O)[C@@]1(C)CN(C(=O)NCCn2cnc(C#N)n2)C[C@@H]1C 1478604186 WUSOOEWWBISJKE-HZMBPMFUSA-N 320.353 -0.010 30 20 DBED C[C@@H]1[C@@H](NC(=O)C#CC2CC2)CCN1C(=O)c1cnn(C)n1 1488144533 GNMOPYNPMZWGJA-PWSUYJOCSA-N 301.350 -0.052 30 20 DBED CCCNC(=O)CN1CC(N2CCN(C(=O)[C@H](C)C#N)CC2)C1 1502840720 VDZODAGTEKLPTP-CYBMUJFWSA-N 321.425 -0.499 30 20 DBED C#CCNCC(=O)NCC1CCN(CC(=O)NC(C)(C)C)CC1 1521496237 RIQFFKKEQASHJF-UHFFFAOYSA-N 322.453 -0.048 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)N(C2CNC2)C1 1574834828 GNSITNRCNCQBLM-WCQYABFASA-N 308.382 -0.854 30 20 DBED CCS(=O)(=O)C1CN(c2cnc(-c3nn[nH]n3)c(C#N)n2)C1 1578407995 HUZKVTCHASSFEV-UHFFFAOYSA-N 320.338 -0.848 30 20 DBED CNC(=O)[C@@H]1CCC[C@@H]1Nc1cnc(-c2nn[nH]n2)c(C#N)n1 1579387044 SQTWYDXCWWIRJM-SFYZADRCSA-N 313.325 -0.145 30 20 DBED N#C[C@H]1CN(S(=O)(=O)N[C@@H]2CNCCC2(F)F)CCO1 1580041737 GCAITJPQDKYMOQ-DTWKUNHWSA-N 310.326 -0.958 30 20 DBED N#Cc1ncc(N2CCO[C@@H]3COCC[C@@H]32)nc1-c1nn[nH]n1 1581882928 LVFPNHNREWMJMP-VHSXEESVSA-N 314.309 -0.478 30 20 DBED C#CC[C@@H](NS(=O)(=O)CC1(OC)CCOCC1)C(=O)O 1588424548 WUYZNMYNWRMQTF-SNVBAGLBSA-N 305.352 -0.422 30 20 DBED C=CCOC[C@@H](NC(=O)[C@@H]1CN(C(C)=O)CCO1)C(=O)O 1588855572 LSELTOKAJGDNCF-MNOVXSKESA-N 300.311 -0.994 30 20 DBED C=CCOC[C@@H](NC(=O)c1ccc2c(c1)C(=O)NC2=O)C(=O)O 1588862277 UVSJDLPEEFARPS-LLVKDONJSA-N 318.285 -0.044 30 20 DBED C[C@@H](C(=O)N1CCC[C@@H](C#N)C1)n1cnc(-c2nn[nH]n2)n1 1588951670 IRPCHCXAVIAQAZ-IUCAKERBSA-N 301.314 -0.219 30 20 DBED Cc1c(C(=O)N[C@@H]2CCN(O)C2=O)cccc1-c1nn[nH]n1 1591807767 NCJAIFWLPVCCMG-SNVBAGLBSA-N 302.294 -0.105 30 20 DBED N#Cc1cn(C2CN(C(=O)CCCC(=O)O)C2)c(=O)nc1O 1594632273 ZYGCZDDEFMKFKW-UHFFFAOYSA-N 306.278 -0.541 30 20 DBED N#CC1(CS(=O)(=O)N2CCC[C@H]2C(=O)NCC(=O)O)CC1 1601057570 CFELCJXSUDGXNO-VIFPVBQESA-N 315.351 -0.715 30 20 DBED N#CCC(=O)N1CCN([C@H]2CCCN(CCC(=O)O)C2=O)CC1 1608179263 IBYZLBLIRZUNBD-LBPRGKRZSA-N 322.365 -0.490 30 20 DBED N#CC1CCN(C(=O)NCCn2cnc(-c3nn[nH]n3)n2)CC1 1609495085 VUBVRXDULFKELH-UHFFFAOYSA-N 316.329 -0.597 30 20 DBED C[C@@H]1CN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)C[C@H]1C(=O)O 1610390559 FVEAROORVACCMN-RULNRJAQSA-N 309.322 -0.957 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H](C)CNC(=O)CCc1cnccn1 1752911921 WTWVADXFCIVNJL-STQMWFEESA-N 317.393 -0.359 30 20 DBED C=C(C)CN(CC)C(=O)CN1CC(NC(=O)c2[nH]nnc2C)C1 1753384451 YXAJFIQZEIPKFY-UHFFFAOYSA-N 320.397 -0.048 30 20 DBED N#CCNC(=O)CN1CC(NC(=O)CC[C@@H]2CCCCO2)C1 1753390719 XYHDRVSSOVAIMH-ZDUSSCGKSA-N 308.382 -0.224 30 20 DBED CN(CCN(C)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)CC(=O)NCC#N 1753860217 OIQOXJAWPPYIPZ-JYKNGBAOSA-N 320.393 -0.560 30 20 DBED C#CCNC(=O)CNC[C@@H](O)CNC(=O)[C@H](C)c1ccco1 1753927568 MMHLHOHRXRSBLH-VXGBXAGGSA-N 307.350 -0.801 30 20 DBED C#CCNC[C@@H](O)CNC(=O)c1nc2nc(C)cc(C)n2n1 1753936161 RBCCWLVUFCJTNX-LLVKDONJSA-N 302.338 -0.945 30 20 DBED C=CCOCCN1CC(O)(CNC(=O)Cn2cncc2C)C1 1754770682 UYJODCCUPFPBSO-UHFFFAOYSA-N 308.382 -0.443 30 20 DBED C=CCNC1(CNC(=O)CCn2cc[nH]c(=O)c2=O)CCC1 1754988939 RCPDFOMJZUSGCM-UHFFFAOYSA-N 306.366 -0.259 30 20 DBED CC/C=C(\C)C(=O)N[C@H]1COC2(C1)CN(CC(=O)NCC#N)C2 1755059030 NFYLFZKKXREPDM-YKAQBRKTSA-N 320.393 -0.058 30 20 DBED C#CCCN[C@@]1(CO)CCCN(C(=O)C[C@@H]2CCN(C)C2=O)C1 1755086252 QCDQWOHBPHMQLZ-YOEHRIQHSA-N 321.421 -0.179 30 20 DBED C#CCCNC[C@H]1C[C@H](NC(=O)CCNS(C)(=O)=O)C1 1755472437 VINSKLHUZQPJGP-HAQNSBGRSA-N 301.412 -0.567 30 20 DBED COCC#CCN[C@H]1C[C@@H](C)N(C(=O)CCn2cncn2)C1 1755670403 QRQOYXUPUHOVNL-KGLIPLIRSA-N 305.382 -0.103 30 20 DBED C=CCNC(=O)CN[C@@H]1C[C@@H](C)N(C(=O)c2nonc2C)C1 1755694085 NNCUTOHQXXAVSI-MWLCHTKSSA-N 307.354 -0.127 30 20 DBED C#CCNC(=O)CNC[C@@H]1CC[C@H](NC(=O)c2cnccn2)C1 1755730150 ZLCWWUZIADGCDB-OLZOCXBDSA-N 315.377 -0.286 30 20 DBED CN(C)CCN(CC(=O)O)S(=O)(=O)c1cccc(C#N)n1 1777032057 OKHDPKKXWCIZNI-UHFFFAOYSA-N 312.351 -0.410 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CCCOC1)CCO2 1783054443 JIVUFOXKSYWUMM-XJKSGUPXSA-N 306.362 -0.124 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](C)n1ccnn1)CCO2 1783054603 IMGDONOMPDHHRQ-SWLSCSKDSA-N 317.349 -0.698 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccnn1C 1794787440 WBIGXBWTTONIFC-GNXNZQSNSA-N 302.334 -0.744 30 20 DBED C[C@H](S)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CNC(=N)N 1795984714 NGDKULCEACNALI-QEYWKRMJSA-N 313.427 -0.574 30 20 DBED C/C=C(\C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1800468303 ZEIPWTSTIHJGFD-CSTSAKJTSA-N 320.345 -0.370 30 20 DBED C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](C)NC(=O)NCC)C2 1801599895 YERBMNPNOYTIMT-RVMXOQNASA-N 320.393 -0.035 30 20 DBED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)=O)CCO2 1834723103 BYWRGORWPYCEJA-OAHLLOKOSA-N 310.350 -0.392 30 20 DBED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(=O)CC)CCO2 1839833419 YMIYRMOQPWPKMC-INIZCTEOSA-N 324.377 -0.002 30 20 DBED C#CCN1CCN(C(=O)CN2CCC(OC(C)=O)CC2)CC1 153480050 FZGKFXMDYQRWNV-UHFFFAOYSA-N 307.394 -0.209 30 20 DBED C#CCCCCNS(=O)(=O)CCCS(=O)(=O)N(C)C 194013691 RJUMARFMMMJOKW-UHFFFAOYSA-N 310.441 -0.009 30 20 DBED CNC(=O)CCC/N=C(\N)N1CCN(c2ncccn2)CC1 264133578 YXRDEWCGCMVRHZ-UHFFFAOYSA-N 305.386 -0.561 30 20 DBED C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C#N)cc2)C[C@H](C(N)=O)O1 268515558 YANLLUHFZJQQIY-BXKDBHETSA-N 316.317 -0.402 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N(CCOC)CCOC 272891572 XBWPOFFJBNUHBY-UHFFFAOYSA-N 308.400 -0.108 30 20 DBED CCO[C@@H]1C[C@H](Nc2c(C#N)c(=O)n(C)c(=O)n2C)[C@H]1OC 275000627 NQFIIMSTZAHPNT-HBNTYKKESA-N 308.338 -0.440 30 20 DBED C[C@H]1C(=O)N(C)S(=O)(=O)N1CC(=O)N[C@@](C)(C#N)C1CC1 283201317 YJBJYZYKFVCLFZ-UFBFGSQYSA-N 314.367 -0.798 30 20 DBED COC(=O)CN(CC(=O)OC)S(=O)(=O)c1ccc(C#N)o1 286943632 QLMMADSAOORKKG-UHFFFAOYSA-N 316.291 -0.512 30 20 DBED C=C[C@@H](CO)NS(=O)(=O)c1cccc(S(=O)(=O)NC)c1 290295725 WXFWRODZQBPREH-VIFPVBQESA-N 320.392 -0.580 30 20 DBED C[C@H](NC(N)=O)C(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 292362335 YBBPMZWTKJZOAZ-GXSJLCMTSA-N 303.322 -0.010 30 20 DBED CN1C[C@H](N/C(O)=N/C[C@@H]2CCN(S(C)(=O)=O)C2)CC1=O 328788110 JYACFGYBUGQORE-VHSXEESVSA-N 318.399 -0.998 30 20 DBED C[C@H](CN1CCOCC1)N/C(O)=N/Cc1nc(N(C)C)no1 328900108 ZIYBFVMZUKFQOL-SNVBAGLBSA-N 312.374 -0.140 30 20 DBED C=CCN(C(=O)[C@@H]1COCCN1C)[C@@H]1CCS(=O)(=O)C1 328946721 GNYDDWIJCLDDLB-NEPJUHHUSA-N 302.396 -0.481 30 20 DBED C[C@H](C(O)=Nc1ncn(C)n1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 329430302 IBMAWZFYJJPSCT-IGORNWKESA-N 319.321 -0.046 30 20 DBED CC/N=C(/O)NC(=O)[C@@H](C)N1CCN(CCOC)C(=O)C1 330588075 MNBXXQNSHXNQTH-SNVBAGLBSA-N 300.359 -0.784 30 20 DBED COC(=O)[C@H]1[C@@H](O)CCCN1C(=O)Cc1noc(C)c1C#N 331290736 PGXHQTHMYCWFHK-WCQYABFASA-N 307.306 -0.078 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)NCC(=O)NCC(F)(F)F 336914336 LOZDEMJWTUSPNN-SSDOTTSWSA-N 316.305 -0.409 30 20 DBED COCCN(CCC#N)S(=O)(=O)NCCc1ccn(C)n1 336945259 NCQMQAHBVURQDV-UHFFFAOYSA-N 315.399 -0.341 30 20 DBED COCCO[C@H]1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)C1 337156806 PEKICAPZWDIISL-RYUDHWBXSA-N 319.383 -0.807 30 20 DBED CO[C@@H]1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)[C@H](C)C1 337182073 BEPKTYQQFXWZQV-UTUOFQBUSA-N 303.384 -0.045 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N1C[C@@H](C)O[C@@H](C(N)=O)C1 337888380 FPUTUHWSMHXLMY-IVZWLZJFSA-N 304.372 -0.960 30 20 DBED C=CCOCC(=O)NCc1ccc(C(=O)NCC(N)=O)cc1 339144256 JDHPVWKXMJLRDM-UHFFFAOYSA-N 305.334 -0.280 30 20 DBED CNC(=O)[C@H](CCSC)NS(=O)(=O)N(C)C[C@@H](C)C#N 341666407 PECRBVSEDBXKRL-UWVGGRQHSA-N 322.456 -0.220 30 20 DBED C=CC[C@H](CO)CNC(=O)NC[C@H]1CCCN1S(C)(=O)=O 341846650 USQJVDJTUKTPPB-NWDGAFQWSA-N 319.427 -0.106 30 20 DBED CCc1nn(CCN2C(=O)CNC2=O)c(=O)c(C#N)c1CC 346719733 YOFXYLAJJAPNKF-UHFFFAOYSA-N 303.322 -0.208 30 20 DBED C=CCNC(=O)CNC(=O)NC[C@@H]1CC[C@@H](C(=O)N(C)C)O1 346811567 ROJYKPCDLWPTRJ-QWRGUYRKSA-N 312.370 -0.776 30 20 DBED C=CCNC(=O)CNC(=O)N1CCC[C@@H]1CS(=O)(=O)NC 346856589 SEQYHSBMFBHHNA-SNVBAGLBSA-N 318.399 -0.988 30 20 DBED C=CCOC[C@H]1NC(=O)N(CCS(=O)(=O)NC(C)C)C1=O 348516890 RNCRQPDDIFLBPM-SNVBAGLBSA-N 319.383 -0.563 30 20 DBED CC[C@@H]1CN(CCNC(=O)NCCn2cnc(C#N)n2)CCO1 357877531 LGYXBJHGDZXFIR-GFCCVEGCSA-N 321.385 -0.440 30 20 DBED N#Cc1cccc(CCNC(=O)C(=O)NCC(F)(F)CN)c1 419706093 JUUZOYNOKSTRLU-UHFFFAOYSA-N 310.304 -0.073 30 20 DBED CC(=O)N[C@@H]1CCCN(C(=O)COc2cnc(C#N)nc2)C1 488724639 CAZSCHPDGKCVEX-LLVKDONJSA-N 303.322 -0.146 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CCO[C@@H]2C(C)C)CC1 491179287 DTXQEBFPWMSKKY-GDBMZVCRSA-N 321.421 -0.059 30 20 DBED CC(C)(C)OC(=O)N1CC(O)(C(=O)N2CCN(CC#N)CC2)C1 497178588 NOVYLVLMHQSFPJ-UHFFFAOYSA-N 324.381 -0.364 30 20 DBED CC[C@](C)(C#N)NC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 525197760 QYXVQUUJPKOUJT-VZTQMQIXSA-N 305.334 -0.043 30 20 DBED N#Cc1ccc(S(=O)(=O)NCC(=O)NCC(=O)O)c(F)c1 548527200 RBZMOFOKKJNLBK-UHFFFAOYSA-N 315.282 -0.824 30 20 DBED CN1CCC[C@H](CNS(=O)(=O)N2CCO[C@H](C#N)C2)C1 548832770 PXIBOPOETQJCGX-VXGBXAGGSA-N 302.400 -0.613 30 20 DBED CO[C@@H]1COC[C@@H]1NC(=O)C(=O)Nc1cc(C)c(C#N)cn1 563726472 PONYPNAKRVULIK-WDEREUQCSA-N 304.306 -0.270 30 20 DBED C[C@H]1CN(CCNS(=O)(=O)c2cncc(C#N)c2)CCO1 569533409 HVQRBDYRWRJNLH-NSHDSACASA-N 310.379 -0.048 30 20 DBED CCCN(CC)CCNC(=O)C(=O)NC1CCN(CC#N)CC1 588775459 JMEKZWBRFSOIDW-UHFFFAOYSA-N 323.441 -0.061 30 20 DBED C[C@]1(C#N)CCN(C(=O)C(=O)N2CCC[C@H]3C(=O)NC[C@H]32)C1 595185809 VJNJESNPGXSHQD-UEKVPHQBSA-N 304.350 -0.514 30 20 DBED C=CCC[C@H](NC(=O)CNS(=O)(=O)N(C)C)C(=O)OCC 597733069 POKMQTKFLUTZFL-JTQLQIEISA-N 321.399 -0.604 30 20 DBED CC#CC[C@H](CO)NC(=O)N[C@H](CC)CNS(C)(=O)=O 645526440 YTROFDOYXHUMCF-GHMZBOCLSA-N 305.400 -0.612 30 20 DBED N#CCCCS(=O)(=O)NC(=O)CCN1CCCS1(=O)=O 776121227 BCZDJPGQPNNZRZ-UHFFFAOYSA-N 323.396 -0.838 30 20 DBED C#CCCN1CCN(CC(=O)NCCCN2CCCC2=O)CC1 776593567 LKXMZNNNMITSCM-UHFFFAOYSA-N 320.437 -0.244 30 20 DBED C=CCNC(=O)CNC(=O)[C@H](O)[C@H](O)c1nc2ccccc2[nH]1 779835382 VISOVUXYEPCIPI-QWHCGFSZSA-N 318.333 -0.624 30 20 DBED C#CCC[C@H](O)CNC(=O)[C@@H](C(C)C)N1CCCS1(=O)=O 799075402 KGOGXVRAEHUJLE-QWHCGFSZSA-N 316.423 -0.063 30 20 DBED C#CCCCNC(=O)C(=O)N[C@@H]1CCOC[C@@H]1OCCOC 806911081 IOHFIUVUJIULPV-OLZOCXBDSA-N 312.366 -0.547 30 20 DBED CS(=O)(=O)CCNN=Cc1ccc(F)c(S(N)(=O)=O)c1 807972972 LBYKGKNFLBXBIW-UHFFFAOYSA-N 323.371 -0.559 30 20 DBED CN(C)c1c(C=NN[C@@H]2CCSC2)c(=O)n(C)c(=O)n1C 808001483 KRRHLHARDYZISI-SECBINFHSA-N 311.411 -0.421 30 20 DBED CON=CC(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 809755023 GTNSCUXAHFLSBJ-NSHDSACASA-N 319.383 -0.728 30 20 DBED C=C[C@H](O)C(=O)O[C@H](C)C(=O)N(CC)[C@H]1CCS(=O)(=O)C1 814546041 TWTDKXJXOGDNFX-VWYCJHECSA-N 319.379 -0.499 30 20 DBED O=C(O)Cn1cc(C=NNc2ccc(-c3nn[nH]n3)cc2)nn1 823387582 PQDLWWHJIXEPTA-UHFFFAOYSA-N 313.281 -0.011 30 20 DBED CC(C)CCNC(=S)NN=Cc1cn(C)c(=O)n(C)c1=O 839399998 CZQNOEJFXZZCBU-UHFFFAOYSA-N 311.411 -0.072 30 20 DBED CC#CC[C@H](CO)NC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 844118804 UFVPPBSGHPJDPN-GFCCVEGCSA-N 323.374 -0.626 30 20 DBED C#CCNS(=O)(=O)N1CCN(Cc2ccncc2C)CC1 859215706 PDYMYZLOWUPCLH-UHFFFAOYSA-N 308.407 -0.025 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N(C)CCS(C)(=O)=O 875599533 KDQGQXUHLHGHCR-LLVKDONJSA-N 318.395 -0.966 30 20 DBED C#CCN1CCC(NC(=O)[C@@H](NS(C)(=O)=O)C(C)C)CC1 928654182 QFBVMLDACVDEDY-ZDUSSCGKSA-N 315.439 -0.226 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2cnn(C)n2)C1 938275996 MAORJUCXNKYKIF-LOWVWBTDSA-N 319.365 -0.263 30 20 DBED C[C@H](C#N)C(=O)N1CCCN(C(=O)CCn2ccnn2)CC1 940863184 AHKJYJVHXYCGNC-GFCCVEGCSA-N 304.354 -0.111 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](NC(=O)c2ccc(=O)n(C)c2)C1 941456226 IYJIZEKNQRMNRF-ZYHUDNBSSA-N 302.334 -0.124 30 20 DBED O=C(NC[C@H]1CN(C(=O)C#CC2CC2)CCO1)[C@H]1CCCO1 944464548 FFTZGSKSSFWTND-UONOGXRCSA-N 306.362 -0.078 30 20 DBED Cc1cnn(C)c1C(=O)NC[C@H]1CN(C(=O)[C@H](C)C#N)CCO1 944727196 YGYPPFANKANABD-PWSUYJOCSA-N 319.365 -0.155 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CN2C(=O)CCC2=O)[C@@H](C)C1 944810727 KCWBFAHDZMLDEI-QWHCGFSZSA-N 305.378 -0.015 30 20 DBED C=CCN1CCN(C(=O)C2(n3cnnn3)CCOCC2)CC1 951636171 XPEMGMZWESLSDN-UHFFFAOYSA-N 306.370 -0.491 30 20 DBED C=CCN1C[C@@H](O)[C@@H](CNC(=O)c2nnn(C(C)(C)C)n2)C1 958076572 HWZXWKROIFWEKZ-WDEREUQCSA-N 308.386 -0.363 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2cc(C(N)=O)cs2)C1 958729422 VIMZVERNGLKUKC-MNOVXSKESA-N 307.375 -0.497 30 20 DBED N#CCN1C[C@H]2[C@H](NC(=O)c3cnc4ccccn4c3=O)[C@H]2C1 960608349 FDSBULKORUCBBQ-IMRBUKKESA-N 309.329 -0.122 30 20 DBED C#CCN1CCC(C(=O)N[C@H]2[C@@H]3CN(CCCO)C[C@@H]32)CC1 962772454 INPQFUXZZPQAEF-ZSHCYNCHSA-N 305.422 -0.240 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@@H](NCCN3CCNC3=O)C2)c1 968343633 GIYVVUZAMRSHTL-GFCCVEGCSA-N 316.365 -0.284 30 20 DBED C#Cc1ccc(C(=O)N2C[C@@H]3CC[C@H](C2)N3C(=O)C(N)=O)cn1 969788206 NFPMLBGXXTVNPY-BETUJISGSA-N 312.329 -0.636 30 20 DBED C#CCCN1C[C@H]2CC[C@H]1CN2C(=O)CN1CCN(C)C(=O)C1 971535533 DHMJSTPWLQYNBQ-LSDHHAIUSA-N 318.421 -0.541 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@]2(CN(CC(=O)N3CCC3)CCO2)C1 972297163 HBWHIKSIGBMFKE-BBRMVZONSA-N 320.393 -0.318 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CCC(NC(=O)C(N)=O)CC1 980529703 MPDUJKAYVHLVAC-HCWSGVFWSA-N 309.366 -0.394 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCCN(CC(=O)N(C)C)CC1 981361707 ZDJVARJATHAQKJ-HNNXBMFYSA-N 320.437 -0.294 30 20 DBED N#CCN1CCCC2(C1)CN(C(=O)[C@@H]1CCS(=O)(=O)N1)C2 982154025 ORGNXVPMLYSKAP-NSHDSACASA-N 312.395 -0.874 30 20 DBED C[C@@H]1C[C@H](NCC#N)CN1C(=O)C1CC2(C1)CS(=O)(=O)C2 989047043 RCHUAHNNOOADEB-PWSUYJOCSA-N 311.407 -0.086 30 20 DBED C#CCCN1CCCN(C(=O)CN2C(=O)NC(=O)C2(C)C)CC1 989412662 SZAGMJUAYHPEHJ-UHFFFAOYSA-N 320.393 -0.126 30 20 DBED C=CCN[C@H]1C[C@H](C)N(C(=O)CN2CCS(=O)(=O)CC2)C1 989788343 FCJVVGFAXGVTSQ-STQMWFEESA-N 315.439 -0.518 30 20 DBED C#Cc1cncc(C(=O)NC2CN(C(=O)[C@@H](C)n3cncn3)C2)c1 999304376 MFBVPPYRYGLWJK-LLVKDONJSA-N 324.344 -0.144 30 20 DBED C#CCN[C@H]1CCCN(C(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 999794602 SCBLXQOYVAOZHJ-AAEUAGOBSA-N 301.350 -0.421 30 20 DBED N#CCN1CC[C@@H](n2cc(CNC(=O)[C@H]3CCCO3)nn2)C1 999964163 XOGAMWKBMWWMQT-CHWSQXEVSA-N 304.354 -0.156 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)Cc2ccn(C)n2)C1 1000009013 KNSKVNXYFRTYEY-KGLIPLIRSA-N 318.377 -0.119 30 20 DBED C[C@H](C#N)C(=O)N1CC(CNC(=O)c2ccc3nn[nH]c3n2)C1 1002579485 VJPWNHMAJUXOPX-MRVPVSSYSA-N 313.321 -0.299 30 20 DBED CN1CCOC[C@H]1C(=O)N1CCN(C(=O)C#CC2CC2)CC1 1011024838 JNRSEPSFRSIXLT-AWEZNQCLSA-N 305.378 -0.599 30 20 DBED C[C@@H]1[C@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)CC(N)=O 1011591559 PDGGVHJNNRTSFE-PSASIEDQSA-N 303.322 -0.519 30 20 DBED C=CC(C)(C)C(=O)N1CCN(C(=O)CCn2cnnn2)CC1 1011910474 SZERBLPSUNKAOD-UHFFFAOYSA-N 306.370 -0.054 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2cnc3c(c2)NC(=O)CO3)C1 1015128848 TZNWNEJEWCQYOA-LLVKDONJSA-N 300.318 -0.150 30 20 DBED C=CCN1CCC2(CC1)C[C@H]2NC(=O)CN1C(=O)CNC1=O 1016964225 GSKVSIHKOUQHLW-LLVKDONJSA-N 306.366 -0.305 30 20 DBED Cc1ccn(CC(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2O)n1 1025701895 OCQMJQMSCAHVNW-YUSALJHKSA-N 305.338 -0.961 30 20 DBED O=C(N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O)c1ccnnc1 1025783831 LDZFBRYMYOFOAA-CHWSQXEVSA-N 300.318 -0.809 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)[C@@H]1CCNC1=O 1026625137 JQRAIJCMVQDIJR-RAIGVLPGSA-N 303.362 -0.501 30 20 DBED C#CCN1CCO[C@H](CNC(=O)[C@@H]2CCCCN2C(N)=O)C1 1035571944 MMHOZNNAWMKDJR-OLZOCXBDSA-N 308.382 -0.630 30 20 DBED CC#CCN1CC[C@@H]2CN(C(=O)Cn3ncn(C)c3=O)CC[C@@H]21 1036753748 VWUNIFVXXUHDMU-KGLIPLIRSA-N 317.393 -0.472 30 20 DBED C=C(C)CN1CC[C@H]2CN(C(=O)CN3CCNC(=O)C3)CC[C@H]21 1036793106 YRRHAMJLNITKEO-LSDHHAIUSA-N 320.437 -0.083 30 20 DBED CC[C@@H]1CN(C(=O)C2CC(=O)NC(=O)C2)CC[C@H]1NCC#N 1037944106 DTLHPMDOAUMRHK-ZYHUDNBSSA-N 306.366 -0.221 30 20 DBED N#Cc1ccc(C(=O)NC[C@H]2CCN2CC(=O)N2CCC2)[nH]1 1038170636 UJUXYWYBCQAQFV-GFCCVEGCSA-N 301.350 -0.077 30 20 DBED C[C@@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)CCn2cccn2)C1 1040764837 ZKZDWOKGCMJUFW-SWLSCSKDSA-N 319.365 -0.488 30 20 DBED C[C@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)COCC(F)F)C1 1040766865 SULWIQKDPLJXEX-RNCFNFMXSA-N 319.308 -0.493 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)[C@H](C)SC)C1 1041623082 HPZRRFGYQRTLCV-MNOVXSKESA-N 314.407 -0.534 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)Cn2cncc2C)C1 1042806280 ZFGSVQUPANESHV-UHFFFAOYSA-N 318.377 -0.315 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)[C@@H]2CCCOCC2)C1 1042822004 DLUGRGPFUBTWJA-VXGBXAGGSA-N 309.366 -0.348 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)c2cnc(C)n2C)C1 1045152540 KZFSIWBSXCJTFB-UHFFFAOYSA-N 306.366 -0.002 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)C[C@@H]2CCCOC2)C1 1045554988 MJWWYXLCWJTBQE-NEPJUHHUSA-N 309.366 -0.348 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)Cc2ccc(C(N)=O)cc2)C1 1047645011 ZQMUTPXTTDREEY-GJZGRUSLSA-N 315.373 -0.535 30 20 DBED C[C@@H]1[C@@H](NC(=O)Cn2cnnn2)CCN1c1ccc(C#N)nn1 1050061142 KEORCUNJOKTHTA-KOLCDFICSA-N 313.325 -0.882 30 20 DBED C[C@@H]1[C@@H](NC(=O)Cn2ncnn2)CCN1c1ccnc(C#N)n1 1050639925 UVNMVXJOFQZDQD-ZJUUUORDSA-N 313.325 -0.882 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)c1ccn(CCN(C)C)n1 1050921935 LYIAZQGAWVWKME-CQSZACIVSA-N 319.409 -0.492 30 20 DBED C=CCN1CCOC[C@H]1CNC(=O)[C@H]1CCN(C)S1(=O)=O 1051162817 XUAGTIXEMOOGGC-VXGBXAGGSA-N 317.411 -0.977 30 20 DBED C=C(C)CN1CC2(C1)CN(C(=O)[C@H]1CN(C)CCO1)CCO2 1053202109 GRZJKWQMTPAGSG-CQSZACIVSA-N 309.410 -0.194 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)[C@@H]1CN(C)CCO1)CCO2 1053203183 UKUZBDNUUWDBIJ-AWEZNQCLSA-N 307.394 -0.747 30 20 DBED C[C@@]1(C(=O)N2CCOC3(CN(CC#N)C3)C2)CCC(=O)NC1 1053390044 RMPQKBUIOMHWOG-CQSZACIVSA-N 306.366 -0.661 30 20 DBED C[C@H](CN1CCOCC1)C(=O)N1CCOC2(CN(CC#N)C2)C1 1053532935 CUZFWPVWBTVVPA-CQSZACIVSA-N 322.409 -0.609 30 20 DBED N#CCN1CC2(CC[C@H](CNC(=O)[C@H]3CCCC(=O)N3)O2)C1 1053615032 ZDDAGVFNANPFJL-VXGBXAGGSA-N 306.366 -0.472 30 20 DBED C=C(C)CN1CC2(C[C@@H](NC(=O)c3cc(=O)n(C)cn3)CO2)C1 1053836593 NGRWPMWELGNFAW-GFCCVEGCSA-N 318.377 -0.071 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)[C@@]3(C)CCNC(=O)C3)CO2)C1 1053843248 IEHQJVVTYSVONI-BBRMVZONSA-N 319.405 -0.115 30 20 DBED CC[C@H]1CCCN1C(=O)C(=O)N[C@H]1COC2(C1)CN(CC#N)C2 1053974041 FURCECXIYNGRTD-OLZOCXBDSA-N 320.393 -0.130 30 20 DBED Cc1cc(N2C[C@H]3C(NC(=O)Cn4ncnn4)[C@@H]3C2)c(C#N)cn1 1056308525 DODSAFLKLIFJAL-VXGBXAGGSA-N 324.348 -0.501 30 20 DBED N#Cc1ccc(N2C[C@H]3[C@H](NC(=O)[C@@H]4CNC(=O)N4)[C@H]3C2)nc1 1056392065 IYGBXYWJBBIGJO-SRRSOLGSSA-N 312.333 -0.815 30 20 DBED C=C[C@H](C)[C@H](C)C(=O)NCCN(CCO)C(=O)c1cn(C)nn1 1057495842 SUYRZNUWPJMYGJ-RYUDHWBXSA-N 323.397 -0.176 30 20 DBED Cc1cncn1CC(=O)NCCN(CCO)C(=O)C#CC(C)C 1057524307 BIQLKRPSNRDVBU-UHFFFAOYSA-N 320.393 -0.212 30 20 DBED CCO[C@@H]1C[C@H]1C(=O)NCCN(CCO)C(=O)C#CC1CC1 1057531113 FMCCGVRFJCTPBX-ZIAGYGMSSA-N 308.378 -0.238 30 20 DBED N#Cc1cncc(N2CCC[C@H](NC(=O)Cn3ncnn3)C2)n1 1058196912 JBAYSEGZHISJTA-JTQLQIEISA-N 313.325 -0.880 30 20 DBED N#Cc1nccc(N2CCC[C@H](NC(=O)Cn3nccn3)C2)n1 1058199790 FRXWMTBKHIBTGB-NSHDSACASA-N 312.337 -0.275 30 20 DBED CN1C[C@@H](C(=O)N[C@@H]2CCN(c3cncc(C#N)n3)C2)CC1=O 1058577559 AZMWZMQVFOSXKG-WDEREUQCSA-N 314.349 -0.479 30 20 DBED CN1C(=O)CC[C@H]1C(=O)N1CC[C@H](Nc2cnc(C#N)cn2)C1 1059028550 BNUIYUCQSYQFIJ-JQWIXIFHSA-N 314.349 -0.018 30 20 DBED N#Cc1nc(=NC[C@@H]2CCN(C(=O)Cc3cnc[nH]3)C2)cc[nH]1 1060997827 NTZLPVBBFNUFEZ-NSHDSACASA-N 311.349 -0.004 30 20 DBED COC(=O)NCC(=O)N1CCC2(CC1)CN(C(=O)[C@H](C)C#N)C2 1061112808 LOHSTYFLPYUEAI-LLVKDONJSA-N 322.365 -0.047 30 20 DBED N#Cc1cnc(N2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2COCCO2)cn1 1062449310 MVGAVCMFTXJQEG-AVGNSLFASA-N 315.333 -0.447 30 20 DBED C=CCOCC(=O)NCC1(NC(=O)[C@H]2COC(=O)N2)CCC1 1062703051 ONKJXXBLCZHOEO-SNVBAGLBSA-N 311.338 -0.548 30 20 DBED CN(C(=O)c1nnn(C)n1)[C@@H]1CCN(c2ccc(C#N)cn2)C1 1063013432 SZYVTXMRBLTROY-LLVKDONJSA-N 312.337 -0.172 30 20 DBED C[C@H]1CCCN(C(=O)C(N)=O)[C@H]1CN=c1cc[nH]c(C#N)n1 1063956382 IVCYJORBGGRDFN-UWVGGRQHSA-N 302.338 -0.706 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)[C@H]2CCC(=O)N2C)CCC1 1064310860 RMSDPYBRHYURHQ-WDEREUQCSA-N 306.366 -0.078 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CN(C(=O)c2cnccn2)CCO1 1064789345 FYSFFKKRSGDSEV-MNOVXSKESA-N 303.322 -0.407 30 20 DBED Cn1cc(C(=O)N2CCC[C@H]2CN=c2cc[nH]c(C#N)n2)nn1 1064908186 HWTOMOXRNGXVLL-JTQLQIEISA-N 312.337 -0.385 30 20 DBED C[C@]1(NC(=O)[C@H]2CCNC2=O)CCN(c2cnc(C#N)cn2)C1 1065312401 NEODTHIIQMIAJM-NHYWBVRUSA-N 314.349 -0.431 30 20 DBED C=CCCOCC(=O)NC[C@H]1CN(C(=O)c2cnon2)CCO1 1065509766 HPXABMGGBWAGIC-NSHDSACASA-N 324.337 -0.381 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)CCc2ncc[nH]2)C1 1065556423 HJSIMFBAAQSGMN-RYUDHWBXSA-N 319.365 -0.154 30 20 DBED C=C[C@](C)(O)CC(=O)N(C)CCCN(C)C(=O)c1nnn(C)n1 1067293262 QLDJSXFOILXJHC-AWEZNQCLSA-N 324.385 -0.542 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCCN(C)C(=O)c1cc(=O)n(C)cn1 1067710272 BRBICEGDARVTMX-NSHDSACASA-N 319.365 -0.140 30 20 DBED C=C[C@@H](C)[C@@H](C)C(=O)N1CCOC2(CN(C(=O)C(N)=O)C2)C1 1068436690 PHGSHNRRTPNAMZ-GHMZBOCLSA-N 309.366 -0.630 30 20 DBED N#Cc1nccnc1NC[C@H]1C[C@H](NC(=O)Cn2ncnn2)C1 1068531249 YHNHMBNZOBJTMQ-MGCOHNPYSA-N 313.325 -0.658 30 20 DBED COCC(=O)N1CC2(C[C@@H](NC(=O)CSCC#N)CO2)C1 1068711282 SBTNQSDWPORCOH-SNVBAGLBSA-N 313.379 -0.624 30 20 DBED C=CC(C)(C)CC(=O)N1CC2(C[C@H](NC(=O)CC(N)=O)CO2)C1 1068783852 MZYPSGHRIVCISG-NSHDSACASA-N 323.393 -0.050 30 20 DBED C#CCOCCC(=O)N1CC2(C[C@@H](NC(=O)[C@@H](C)C#N)CO2)C1 1069008848 VSQVUXSJKZZFMJ-QWHCGFSZSA-N 319.361 -0.328 30 20 DBED Cc1nonc1C(=O)NCc1cnn2c1CN(CC#N)CC2 1069884135 SNCDPUPLEZOAEF-UHFFFAOYSA-N 301.310 -0.156 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)C[C@H]2CCCO2)C1 1069898521 PGUBVERFQQINLN-MCIONIFRSA-N 303.366 -0.178 30 20 DBED Cc1[nH]nc(C(=O)N[C@@H]2CN(CC#N)C[C@@H]2n2ccnn2)c1O 1069911131 XONMNNIOWUAGHX-ZJUUUORDSA-N 316.325 -0.806 30 20 DBED C=CCN[C@@H]1CN(C(=O)C[C@H]2CCNC2=O)C[C@@H]1n1ccnn1 1070209121 NDAAXIYETTXCRM-UPJWGTAASA-N 318.381 -0.668 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](n2ccnn2)[C@H](N[C@H](C)C(N)=O)C1 1070250853 WIKBQNQYWXGMHD-UTUOFQBUSA-N 320.397 -0.294 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@@H](NC(=O)C(C)(C)F)C1 1070636427 WYLCXMBTLXAWSF-LLVKDONJSA-N 311.357 -0.019 30 20 DBED C=CCN[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1c1cncn1C 1070644247 ZFGKJNNYCXAMOL-VXGBXAGGSA-N 315.381 -0.068 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)c2cnnc(O)c2)CC1 1070971568 GLOQUZNTENYOQS-UHFFFAOYSA-N 317.349 -0.921 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)c2c[nH]nc2CC)CC1 1070976732 OABWVDAICVFDIJ-UHFFFAOYSA-N 317.393 -0.131 30 20 DBED C[C@@H]1CN(C(=O)CCn2cnnn2)C[C@]2(CCN(CC#N)C2)O1 1071223817 UXEXBSVUYQTQIT-TZMCWYRMSA-N 319.369 -0.721 30 20 DBED N#CCN1CCC2(C1)CN(C(=O)CN1CCCS1(=O)=O)C2 1072800553 UIFWNTSJIXMILU-UHFFFAOYSA-N 312.395 -0.920 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CN(CCOC)CCCO1 1073640011 QCALDBNTTDCXRA-CVEARBPZSA-N 323.437 -0.063 30 20 DBED C=CCOCC(=O)N1CC[C@@H](NC(=O)c2cn(C)nn2)[C@@H](C)C1 1073930310 QNEFOMDVCJDSIP-NWDGAFQWSA-N 321.381 -0.016 30 20 DBED N#CCN1C[C@@H]2CCN(C(=O)c3ccc(-n4cnnn4)cn3)[C@@H]2C1 1076085018 WZLRUAIHLVCJKY-SMDDNHRTSA-N 324.348 -0.273 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)CN(CC)CC 1076218984 OIBBWSCEPWRCMA-ZDUSSCGKSA-N 324.425 -0.521 30 20 DBED CNC(=O)NCCC(=O)N[C@@H](C)CCNC(=O)C#CC(C)C 1076411262 AIWRVAPUBQYLJJ-LBPRGKRZSA-N 310.398 -0.024 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)c2ccccc2OCC(N)=O)C1 1077346915 WPQBVDFWBSLPSH-CHWSQXEVSA-N 319.361 -0.488 30 20 DBED CNC(=O)NCC(=O)N(C)[C@@H]1CCCN(C(=O)[C@@H](C)C#N)CC1 1078982401 SBUBVPXSAXAASL-NWDGAFQWSA-N 323.397 -0.085 30 20 DBED C=CCCC(=O)N(CC)C1CN(C(=O)CN2CC(=O)NC2=O)C1 1079471221 UGPRMDPPEQRPNN-UHFFFAOYSA-N 322.365 -0.436 30 20 DBED CC[C@H](C(=O)N1CCC(CO)(NC(=O)[C@H](C)C#N)CC1)N(C)C 1080981973 PXESELAYAGJBLM-CHWSQXEVSA-N 324.425 -0.044 30 20 DBED C=CCOCC(=O)N1C[C@H](CNC(=O)Cc2ccco2)[C@@H](O)C1 1081684893 MCGPQVSIDNAVFY-JSGCOSHPSA-N 322.361 -0.040 30 20 DBED C=C(C)CN1C[C@@H](NC(=O)[C@H](C)N2C(=O)CCC2=O)[C@H](OC)C1 1081759154 QRWZEPMUCZEUMM-YNEHKIRRSA-N 323.393 -0.085 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(CCCO)C[C@H]1OC 1081811344 UBVWTDGOXMUICV-QLFBSQMISA-N 309.410 -0.718 30 20 DBED COc1ccncc1CC(=O)N[C@@H]1CN(CC#N)C[C@H]1OC 1081848163 PFFIPSUNNOXKOZ-TZMCWYRMSA-N 304.350 -0.028 30 20 DBED C#CCN1C[C@@H](NC(=O)C(=O)N2CCC[C@@H](C)C2)[C@H](OC)C1 1082208166 AELRZBDHFIFUNY-MGPQQGTHSA-N 307.394 -0.307 30 20 DBED C[C@@H](C[C@H](C)NC(=O)c1nnn(C)n1)N=c1cc[nH]c(C#N)n1 1089452029 WTHDJGDGERLVDS-IUCAKERBSA-N 315.341 -0.697 30 20 DBED COCC(=O)NC[C@H]1CN(c2cnc(C#N)cn2)CCCO1 1089512274 HDQPXGDNPJLFLG-LBPRGKRZSA-N 305.338 -0.294 30 20 DBED N#CCN1CC[C@H](NC(=O)c2cc(O)nc(C3CC3)n2)[C@H](O)C1 1090340859 DSLODKFZAGXMIN-CMPLNLGQSA-N 317.349 -0.252 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2cc(OC)n(C)n2)[C@H](O)C1 1090422439 KWAIXHDFHZGYEJ-DGCLKSJQSA-N 306.366 -0.383 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)Cc2cn(CC)nn2)[C@H](O)C1 1090441160 IWQYVJBFHMJVDY-UONOGXRCSA-N 307.398 -0.032 30 20 DBED C[C@@H]1CN(c2ccc3nnnn3n2)C[C@H]1NC(=O)C#CC1CC1 1090704731 BCCHVTCHQWQRTJ-ZYHUDNBSSA-N 311.349 -0.126 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2CCN(CCCO)C[C@H]2O)cn1 1090739406 JODYQOBEJXMLAA-LSDHHAIUSA-N 303.362 -0.390 30 20 DBED Cc1cc(C#N)nc(N[C@H]2C[C@@H](CNC(=O)CC(N)=O)C2)n1 1091327033 SMRKZDVELOIHIX-AOOOYVTPSA-N 302.338 -0.161 30 20 DBED C[C@H](CC(N)=O)C(=O)NC[C@H]1C[C@H](N=c2cc[nH]c(C#N)n2)C1 1091495824 MBNIEBBFYRBPOO-GMTAPVOTSA-N 316.365 -0.412 30 20 DBED C#CCN1C[C@@H]2CN(C(=O)[C@@H]3CCCN3C(N)=O)C[C@]2(C)C1 1092320622 RTQQPEGLLPQBRW-WWGRRREGSA-N 304.394 -0.057 30 20 DBED CCC(=O)NCC(=O)NC1[C@H]2CN(c3nccnc3C#N)C[C@H]12 1093235112 OJAGZKUZIOFLDG-UWVGGRQHSA-N 314.349 -0.575 30 20 DBED C#CCN1CC(OC2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)C1 1093575220 VBTAOIICNOAXNX-KGLIPLIRSA-N 305.378 -0.567 30 20 DBED CC#CCN1CC(n2cc(CNC(=O)c3cccnn3)nn2)C1 1094329352 FZBMPLBMXNKENX-UHFFFAOYSA-N 311.349 -0.122 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCCN=c1cc[nH]c(C(=O)OC)n1 1094384383 QZRVCGRFVSVSBQ-OAHLLOKOSA-N 322.365 -0.070 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)Cc3cc(C)on3)CC2=O)C1 1094714500 XKKMCUGLCTZVIS-CYBMUJFWSA-N 316.361 -0.440 30 20 DBED C#CCCN1CC(N2C[C@H](NC(=O)c3cncnc3)CC2=O)C1 1094726660 WDZMVZPHSFJYPY-CYBMUJFWSA-N 313.361 -0.485 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cnc(O)n(C)c1=O 1095857779 MWCZQDQLMFCNOV-USWWRNFRSA-N 302.334 -0.546 30 20 DBED N#Cc1nccc(N2CC[C@H](NC(=O)CCCC(N)=O)C2)n1 1096391065 BKYFBBCGHVJUAN-JTQLQIEISA-N 302.338 -0.301 30 20 DBED N#Cc1ccc(N[C@@H](CNC(=O)Cn2nccn2)C2CC2)nn1 1096735918 AAWSGHYVGPWILX-LBPRGKRZSA-N 312.337 -0.053 30 20 DBED CN(C)CCOCC(=O)N[C@H]1C[C@H](Nc2cncc(C#N)n2)C1 1097049373 HZZFKXWYGHUUTR-HAQNSBGRSA-N 318.381 -0.014 30 20 DBED N#Cc1ccc(NC[C@@H]2CCCN(C(=O)CNC(N)=O)C2)nn1 1097351603 CYXTUNPVMLMHFC-JTQLQIEISA-N 317.353 -0.333 30 20 DBED CCN1CCO[C@H](C(=O)NC[C@H](C)Nc2cnc(C#N)cn2)C1 1097874399 GZCJRWNMIJEYRX-AAEUAGOBSA-N 318.381 -0.014 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H](C)Nc1nccn2nnnc12 1098061926 WXZJNUQSWDHHSL-ZJUUUORDSA-N 303.326 -0.526 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)C2CC(C)(C)C2)[C@@H](O)C1 1099801820 KQLNBHSFHHRPJA-KBPBESRZSA-N 321.421 -0.277 30 20 DBED CN(CCNC(=O)CSCC#N)c1ncnc2c1nnn2C 1099937774 VPZONSXNHXIAAL-UHFFFAOYSA-N 320.382 -0.433 30 20 DBED N#CCNC(=O)CNC1CC(CNC(=O)Cc2cncs2)C1 1100429061 ZHYFYKMXSGXCFF-UHFFFAOYSA-N 321.406 -0.190 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)CNC(=O)NC)c3nccn32)C1 1101630921 OFMAZIHZFQWIFU-NSHDSACASA-N 316.365 -0.983 30 20 DBED Cc1nocc1C(=O)NC[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1102303259 WTPIBGRQRDSYCR-ZYHUDNBSSA-N 319.365 -0.080 30 20 DBED N#Cc1cnc(N2CC[C@@H](CCNC(=O)C(N)=O)C2)c(F)c1 1102387747 ZKZBRJXJUMHPPN-SECBINFHSA-N 305.313 -0.090 30 20 DBED C=CCN1C[C@@H](C)[C@H](CCNC(=O)Cn2cnc(C(N)=O)n2)C1 1103003176 GGQFDBWTVGRBFM-VXGBXAGGSA-N 320.397 -0.363 30 20 DBED CC[C@@H](CNC(=O)Cn1cncn1)N=c1cc[nH]c(C#N)n1 1103086246 WMHZXCAGIPGYHB-JTQLQIEISA-N 300.326 -0.631 30 20 DBED COC(=O)NCC(=O)NC[C@@H](C)CN=c1cc[nH]c(C#N)n1 1103856902 NQUQWAWUTHFELU-VIFPVBQESA-N 306.326 -0.710 30 20 DBED C#CCOCCC(=O)N(C)[C@@H](C)CNc1nccn2nnnc12 1104677187 GXZSVKKCFYRQMH-NSHDSACASA-N 317.353 -0.182 30 20 DBED C[C@H](CN=c1cc[nH]cc1C#N)N(C)C(=O)[C@H]1CCNC1=O 1104764286 PONACJOUPKGFLL-PWSUYJOCSA-N 301.350 -0.230 30 20 DBED Cc1c(C(=O)N(C)CCN(C)c2ccnc(C#N)n2)nnn1C 1105355502 PEUBZWKGGWEHPT-UHFFFAOYSA-N 314.353 -0.006 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)C2=CCOCC2)nn1 1105801679 BTZWLVIQGDKXKS-GFCCVEGCSA-N 303.322 -0.416 30 20 DBED CCC[C@@H](OCC)C(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1 1106064151 OVJYUYCFMNFDDI-VXGBXAGGSA-N 321.381 -0.136 30 20 DBED N#Cc1nccnc1NC/C=C\CNC(=O)[C@@H]1CC[C@H]1C(N)=O 1107451914 NQBGMNDOPMQQMH-JLVKAVFRSA-N 314.349 -0.056 30 20 DBED N#Cc1c[nH]ccc1=NC/C=C\CNC(=O)[C@@H]1CNC(=O)N1 1107489775 IYWJIPHQSCYHQO-BIOMNHJASA-N 300.322 -0.859 30 20 DBED C[C@@H](C(=O)NC/C=C\CN=c1cc[nH]cc1C#N)S(C)(=O)=O 1107577181 VZERGHGHAYFGCT-BYCRGOAPSA-N 322.390 -0.107 30 20 DBED C=CCN1CCO[C@@](C)(CNC(=O)C2CS(=O)(=O)C2)C1 1107967247 QHUSRJVUPCYKPO-ZDUSSCGKSA-N 302.396 -0.576 30 20 DBED C[C@@H](C(=O)NC[C@]1(C)CN(CC#N)CCO1)S(C)(=O)=O 1108028352 DSQMBWOSPIDRTA-CMPLNLGQSA-N 303.384 -0.850 30 20 DBED CC#CCN1CCO[C@@](C)(CNC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 1108216727 JWTHMHPDVFENIE-VBQJREDUSA-N 321.421 -0.059 30 20 DBED CN(C)c1ccc(C(=O)NC[C@@]2(C)CN(CC#N)CCO2)nn1 1108346876 AQWANXPFGLIFRM-HNNXBMFYSA-N 318.381 -0.113 30 20 DBED C[C@@H](CNc1cncc(C#N)n1)NC(=O)C[C@H]1CCC(=O)N1 1108448229 IUYKVEFLIBJXCH-VHSXEESVSA-N 302.338 -0.066 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)C(=O)N1CC[C@@H](C)C1 1108509083 ASVMTHORWWXGPH-MNOVXSKESA-N 316.365 -0.445 30 20 DBED C=CCCCN1CC(N2C[C@H](NC(=O)CC(N)=O)CC2=O)C1 1108523479 KJVMTOSUKQJOAI-LLVKDONJSA-N 308.382 -0.771 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)CO[C@@H](C)CC)CC2=O)C1 1108532367 GEJJYQRFSNOKMS-QWHCGFSZSA-N 307.394 -0.164 30 20 DBED C[C@H](CN(C)c1ccc(C#N)nn1)NC(=O)Cn1cncn1 1108960431 NRLHGELPRVYMRR-SNVBAGLBSA-N 300.326 -0.419 30 20 DBED C[C@H](CN(C)c1ncccc1C#N)NC(=O)[C@H]1CNC(=O)N1 1109210944 LZIGROOJEGMPES-MWLCHTKSSA-N 302.338 -0.424 30 20 DBED COC[C@@H](OC)C(=O)N[C@@H](C)CN(C)c1nccnc1C#N 1109218994 CXYILCRTYVOQPJ-CMPLNLGQSA-N 307.354 -0.049 30 20 DBED Cc1cc(C#N)nc(NCCCN(C)C(=O)CNC(N)=O)n1 1109374113 PAWCKOVBDYDVMX-UHFFFAOYSA-N 305.342 -0.415 30 20 DBED CN(CCCNc1ccc(C#N)nn1)C(=O)[C@H]1COCCN1C 1109410333 XMWSLLSGRDNZII-CYBMUJFWSA-N 318.381 -0.061 30 20 DBED N#Cc1ccc(NC2(CNC(=O)CCn3cnnn3)CC2)nn1 1110207222 STTVLFLCVVENGB-UHFFFAOYSA-N 313.325 -0.514 30 20 DBED C[C@H](CC(=O)NCC1(Nc2ccc(C#N)nn2)CC1)NC(N)=O 1110237340 LFPGFEBGJBRKPU-SECBINFHSA-N 317.353 -0.144 30 20 DBED CC(=O)N[C@H](C)C(=O)N(CCO)CCN=c1cc[nH]cc1C#N 1111414051 UKYKIKFPJMTGDP-LLVKDONJSA-N 319.365 -0.867 30 20 DBED Cc1ncc(C(=O)N(CCO)CCN=c2cc[nH]c(C#N)n2)[nH]1 1111428300 TYBMRSQFYQTEEY-UHFFFAOYSA-N 315.337 -0.652 30 20 DBED C#CCNC[C@]12CCC[C@H]1CN(C(=O)C[C@@H]1NC(=O)NC1=O)C2 1112406388 RBHGXYYDSSQTMS-MKBNYLNASA-N 318.377 -0.564 30 20 DBED Cc1ccc(C#N)c(N2CCC(CO)(NC(=O)C(N)=O)CC2)n1 1112673588 VAHPVZXJEYXIIF-UHFFFAOYSA-N 317.349 -0.806 30 20 DBED COCC#CCN1CCN(C(=O)[C@@H](C)S(C)(=O)=O)CC1 1113020544 NDPZCTVRGBOXTF-GFCCVEGCSA-N 302.396 -0.787 30 20 DBED C=CCNC(=O)NC(=O)CN1CCN(C(=O)[C@H](F)CC)CC1 1113202250 QPOTUHOLXJJRCI-LLVKDONJSA-N 314.361 -0.110 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)c3snnc3C)[C@@H]2C1 1113838630 GYGXAWXNBBZZAB-NXEZZACHSA-N 319.390 -0.744 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)Cc3cc(C)on3)[C@H]2C1 1114058849 XJKXGDFZEXDJAB-VIKVFOODSA-N 316.361 -0.679 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)[C@@H](CC)SC)[C@@H]2C1 1114151634 LDLONIXHUIUUMJ-IJLUTSLNSA-N 309.435 -0.076 30 20 DBED N#CCNC(=O)CN1C[C@H]2C(NC(=O)[C@@H](F)C(F)(F)F)[C@@H]2C1 1114308251 CQUAEANMZNLTQG-BRDIYROLSA-N 322.262 -0.427 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)C[C@H](C)COC)[C@@H]2C1 1115051979 DGANWWRNIZNCEF-YNEHKIRRSA-N 307.394 -0.545 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)Cc3ccc[nH]3)[C@H]2C1 1115267698 JCGMJCORJFAIAM-STQMWFEESA-N 300.362 -0.647 30 20 DBED CNC(=O)NCCC(=O)N(C)C[C@H](C)N=c1cc[nH]c(C#N)n1 1115704550 QXHYOCVFNHIDSU-JTQLQIEISA-N 319.369 -0.652 30 20 DBED CNC(=O)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N 1116463122 WLEFKCPSGIFOGL-UHFFFAOYSA-N 306.326 -0.690 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)N[C@@H]2CCn3ccnc3C2)CCO1 1117556338 IMUCGWYFFBAPGX-MNOVXSKESA-N 303.322 -0.935 30 20 DBED COCCN1CCN(C(=O)C(=O)NCC(C)(C)CC#N)CC1=O 1118108325 ZAYLIWHVSURCNB-UHFFFAOYSA-N 324.381 -0.640 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N2CC[C@](F)(C#N)C2)CCN1C1CC1 1118949351 ZJRABXLWKFINEF-DOMZBBRYSA-N 319.340 -0.351 30 20 DBED C[C@H](CN(C)C(=O)[C@@H]1CCNC1=O)N=c1cc[nH]cc1C#N 1120410027 XSGDBXOLQRKGSC-ZYHUDNBSSA-N 301.350 -0.230 30 20 DBED N#CCNC(=O)CNC1CC2(C1)CC(NC(=O)c1cc[nH]n1)C2 1120650421 FJROKJNMMIZBQV-UHFFFAOYSA-N 316.365 -0.320 30 20 DBED CC[C@@H](OC)C(=O)NC[C@@H](CO)N=c1cc(C)[nH]cc1C#N 1121182799 DYPSUXFTSCHJPQ-GXTWGEPZSA-N 306.366 -0.002 30 20 DBED Cc1cc(=N[C@H](CO)CNC(=O)c2cnc(C)[nH]2)c(C#N)c[nH]1 1121236118 VQBMJKSOSNMMIG-LBPRGKRZSA-N 314.349 -0.082 30 20 DBED C=CCNC1CC2(C1)CC(NC(=O)CNC(=O)CNC(C)=O)C2 1121314383 RDTIRKPWIOJXIM-UHFFFAOYSA-N 322.409 -0.558 30 20 DBED C=CCNC(=O)[C@@H](C)NC1CC2(CC(NC(=O)C(N)=O)C2)C1 1121668287 RUUXLKZPSXFMER-RURBXUPXSA-N 308.382 -0.821 30 20 DBED C=CCn1c([C@H](O)COC)nnc1N1CC(=O)N(C)C[C@H]1C 1121732921 SOENDEKYZPXOMI-GHMZBOCLSA-N 309.370 -0.189 30 20 DBED CCCN(C)CC(=O)NC[C@H](CO)N=c1cc[nH]cc1C#N 1121887484 GEZHFUUBOBBROA-CYBMUJFWSA-N 305.382 -0.394 30 20 DBED N#Cc1nc(=N[C@@H](CO)CNC(=O)C2C=CC=CC=C2)cc[nH]1 1122158489 QQMMVWWZRFYDPT-CYBMUJFWSA-N 311.345 -0.042 30 20 DBED Cc1nnccc1C(=O)NC[C@@H](CO)Nc1cnc(C#N)cn1 1122849909 CYKIPNYQISYRGJ-NSHDSACASA-N 313.321 -0.351 30 20 DBED CC(=O)NCC(=O)N[C@H]1CCCN(c2nccnc2C#N)[C@H]1C 1123516187 ZUGCCRGKSPZZBF-JQWIXIFHSA-N 316.365 -0.042 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]cc1C#N)C(=O)c1cnn(C)c1 1124029684 HFVYVJJPNUIGGJ-ZDUSSCGKSA-N 314.349 -0.346 30 20 DBED CN(C[C@@H](O)CNc1ccc(C#N)cn1)C(=O)[C@@H]1COCCO1 1124048452 ZXBYUOSZYXBVJZ-STQMWFEESA-N 320.349 -0.400 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)CC(F)(F)F 1124134195 GYMHAMQTMAWGGJ-QMMMGPOBSA-N 317.271 -0.046 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)C1CC=CC1 1124186034 WECNSLVASRUBOC-GFCCVEGCSA-N 301.350 -0.032 30 20 DBED CN(C[C@H](O)CNc1ccc2nnnn2n1)C(=O)C#CC1CC1 1124283556 NLFSCHQEJXXMGP-LLVKDONJSA-N 315.337 -0.836 30 20 DBED CN(C[C@@H](O)CNc1cncc(C#N)n1)C(=O)c1nc[nH]n1 1124460543 OGYACKPULODKII-VIFPVBQESA-N 302.298 -0.989 30 20 DBED CN(C[C@H](O)CNc1ccc(C#N)nn1)C(=O)Cc1cnc[nH]1 1124787224 XGCXMPHRQQKANN-GFCCVEGCSA-N 315.337 -0.455 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]cc1C#N)C(=O)c1cnn[nH]1 1124895464 IDYWRPXRERXOHV-JTQLQIEISA-N 301.310 -0.962 30 20 DBED N#Cc1cccc(CNCCNC(=O)Cn2cnnc2O)c1 1126021964 WOHOWPJHEBXAIG-UHFFFAOYSA-N 300.322 -0.239 30 20 DBED C=C(C)CN(CC)C(=O)CNCCNC(=O)CNC(=O)NC 1128788962 BQJVJSHKIBOLFA-UHFFFAOYSA-N 313.402 -0.954 30 20 DBED C=CCOCCNCCNC(=O)CN1CCCCS1(=O)=O 1131391418 JRAHNDFSOBNYLB-UHFFFAOYSA-N 319.427 -0.680 30 20 DBED C[C@@H]1CC[C@H](NC(=O)CCCn2c(O)nnc2O)CN1CC#N 1132140413 IHGPVSIRMADXDN-MNOVXSKESA-N 322.369 -0.038 30 20 DBED C[C@@H]1CC[C@H](NC(=O)c2ccn(C)n2)CN1CC(=O)NCC#N 1132490233 SASCJYGTINAFTH-NEPJUHHUSA-N 318.381 -0.357 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)[C@@]1(C)CCC(=O)NC1 1132717522 BAMFMWZJYVIZLX-NHYWBVRUSA-N 310.398 -0.701 30 20 DBED C=C1CC(C)(C(=O)NCCNCCN(C)S(C)(=O)=O)C1 1133570123 KWSYUPAEMANKLD-UHFFFAOYSA-N 303.428 -0.060 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1C[C@H]1c1cncn1C 1134045739 OPKUTJCMVMRILF-JHJVBQTASA-N 317.393 -0.633 30 20 DBED C=CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)c1cn(C)nn1 1134298821 MPAMSVUIJZCKLI-QWRGUYRKSA-N 308.386 -0.396 30 20 DBED C[C@H]1CCCC[C@@H]1OCC(=O)NCCNCC(=O)NCC#N 1134631281 UCKDYIFCOLFWMA-STQMWFEESA-N 310.398 -0.073 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1c2c(nn1C)CCC2 1147627909 CXJRXSNFUKTTSK-UHFFFAOYSA-N 305.382 -0.470 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@H]1CCc2c[nH]nc2C1 1151723447 PBWAPEUHGHGFEY-NSHDSACASA-N 305.382 -0.477 30 20 DBED C=CCNC(=O)CN(CC)[C@H](C)CNC(=O)[C@H]1CCNC(=O)C1 1152706233 DFLMQLDEGGDGHP-OLZOCXBDSA-N 324.425 -0.359 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)c1cc(=O)n(C)o1 1153001929 ZVXKLKWZJRGPEM-SNVBAGLBSA-N 323.353 -0.942 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)[C@@H]2CCCN2C(N)=O)C1=O 1153586181 JWUWLPGNEUIRPJ-RYUDHWBXSA-N 323.397 -0.978 30 20 DBED C[C@H](C#N)C(=O)NCCCNCC(=O)N1CCOC[C@@H]1C1CC1 1155836313 LZAQOVDTVXKBHD-TZMCWYRMSA-N 322.409 -0.121 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)c1ccn(C)n1 1156890675 RUINZFQAPJRVHT-LLVKDONJSA-N 306.370 -0.500 30 20 DBED C=CCN(CC=C)C(=O)CNCCCNC(=O)c1cn(C)nn1 1157473341 CWEUUOTWCBIRCQ-UHFFFAOYSA-N 320.397 -0.275 30 20 DBED C#CCN(C)C[C@H]1CCCCN1C(=O)CN1CCOCC1=O 1158071665 CDNIPPMVMPZYQZ-CQSZACIVSA-N 307.394 -0.209 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@H]1CCCN1CC(C)C 1161644105 HZKMPRGQSVOVEV-OAHLLOKOSA-N 322.453 -0.048 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@@H](OC)c1cnn(C)c1 1163344925 PHNNBBSGEMIELE-AWEZNQCLSA-N 323.397 -0.494 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)C(C)(C)NC(C)=O 1168493679 OHHBNDJPSYWKQV-NSHDSACASA-N 312.414 -0.312 30 20 DBED C=CCCCNCCCNC(=O)CCn1cc[nH]c(=O)c1=O 1168514634 WBNVAJWNYWYXCI-UHFFFAOYSA-N 308.382 -0.011 30 20 DBED C#CCNC(=O)CNCCCC[C@H](C)NC(=O)c1cnn(C)n1 1175695052 JFNHGYIZYOSRME-LBPRGKRZSA-N 320.397 -0.557 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)CNC(=O)C2CC2)C1 1181225291 AGHADJVEWZYHSC-DGCLKSJQSA-N 322.409 -0.606 30 20 DBED C=CCCN[C@@H]1CCN(C(=O)CN(C)S(=O)(=O)N(C)C)C1 1182496356 ITRRXHQXMGOEEK-GFCCVEGCSA-N 318.443 -0.509 30 20 DBED C=CCNC(=O)[C@@H](C)N(C)[C@@H]1CCN(C(=O)c2cnn[nH]2)C1 1191119290 ODLLZDFIEVGEKR-GHMZBOCLSA-N 306.370 -0.358 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)COC(C)C)C1 1191540049 PPHZNXVHEYEIQZ-YNEHKIRRSA-N 313.398 -0.737 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(Cc2nc(CC)no2)C[C@H]1O 1192539899 JKUYSERKMXCIPF-HFAKWTLXSA-N 324.381 -0.380 30 20 DBED CCCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)C#CC(C)C)C1 1192804860 KQUNLLSKZVVAHI-BFHYXJOUSA-N 309.410 -0.278 30 20 DBED CCCn1nnnc1CN1C[C@@H](O)[C@H](NC(=O)C#CC2CC2)C1 1192826556 HFVSNKAUWSRKDS-CHWSQXEVSA-N 318.381 -0.842 30 20 DBED COCC#CCN(C)[C@@H]1CCN(C(=O)C(=O)NCC2CC2)C1 1193122183 INNJHECPDIWZJX-CQSZACIVSA-N 307.394 -0.305 30 20 DBED C[C@H](NC(=O)CC(F)(F)F)C(=O)N[C@@H]1CN(CC#N)C[C@H]1O 1193173644 BCGVBPTUJHWZJM-DJLDLDEBSA-N 322.287 -0.872 30 20 DBED C#CCC1(C(=O)N[C@@H]2CN(CC(=O)N3CCC3)C[C@H]2O)CCC1 1193684613 BKGBGRHMFNVNHB-ZIAGYGMSSA-N 319.405 -0.426 30 20 DBED N#CCNC(=O)CN1CCCN(C(=O)Cc2ccoc2)CC1 1195580920 RZGDVKUEKJYOHT-UHFFFAOYSA-N 304.350 -0.004 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H](NC(N)=O)C(C)(C)C)C1 1197811919 BVILBQZJJCRROI-IJLUTSLNSA-N 310.398 -0.746 30 20 DBED C#CCNC(=O)[C@H](C)NC1CCN(C(=O)c2cnn(C)c2)CC1 1199257695 TYZJIROLTLYHOU-LBPRGKRZSA-N 317.393 -0.248 30 20 DBED C#CCCNC1CCN(C(=O)CN2C(=O)CN(C)C2=O)CC1 1203617303 JKBIVNYLFFFABT-UHFFFAOYSA-N 306.366 -0.516 30 20 DBED CC#CCN[C@H]1C[C@H]2CC[C@H]1N(C(=O)CN1CCNC(=O)C1)C2 1204626899 ILISMRZRHDVDQH-QLFBSQMISA-N 318.421 -0.589 30 20 DBED C#CCNCC1CCN(C(=O)c2cn(CCOC)nn2)CC1 1205242493 PJYLLEKMBMIMAW-UHFFFAOYSA-N 305.382 -0.001 30 20 DBED C#CCCNCC1CCN(C(=O)CNC(=O)CNC(C)=O)CC1 1205543607 YGJZBCIJIHQDAO-UHFFFAOYSA-N 322.409 -0.910 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)CCn2cccn2)[C@H](C)C1 1206102517 KIWXTSKSWOGSNT-ZIAGYGMSSA-N 317.393 -0.541 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCC[C@@H](NCc2nc(=O)n(C)[nH]2)C1 1207950258 JCRKKHCEGVOJJW-ABAIWWIYSA-N 323.397 -0.484 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)c2nc[nH]n2)C1 1210206422 MFDKNNYVIWOEDQ-GHMZBOCLSA-N 306.370 -0.310 30 20 DBED COCC#CCN1C[C@@H](NC(=O)c2cnc(C)[nH]2)[C@H](OC)C1 1212017371 GSYIFJQBCLIIQF-ZIAGYGMSSA-N 306.366 -0.203 30 20 DBED CC#CCN1C[C@@H](NC(=O)CNC(=O)c2ccco2)[C@H](OC)C1 1213812429 CVXVEBNUALEWMJ-TZMCWYRMSA-N 319.361 -0.152 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(Cc2nnnn2C)C[C@H]1OC 1213957604 JWVSLGYDRUNPKG-VXGBXAGGSA-N 324.385 -0.882 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](NCc2csnn2)[C@H](C)C1 1214471758 CFAYKQFRDMUBIX-ZYHUDNBSSA-N 321.406 -0.386 30 20 DBED CC#CCN[C@@H]1CN(C(=O)Cn2nc(C)n(C)c2=O)C[C@H]1C 1216630889 TUVMCFNBYZQNDW-DGCLKSJQSA-N 305.382 -0.650 30 20 DBED CC[C@H](C)C(=O)N1CCO[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1217296891 XTXHBXLAUTYHAY-RWMBFGLXSA-N 308.382 -0.416 30 20 DBED COCC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)COCC1CC1 1217382140 NTVFMBCXTOTOIA-JKSUJKDBSA-N 322.405 -0.026 30 20 DBED C#CCCCC(=O)N1CCO[C@@H]2CN(CC(=O)NC3CC3)C[C@@H]21 1217758403 LBPAECZVMIHQKD-LSDHHAIUSA-N 319.405 -0.020 30 20 DBED COCC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CC(=O)N(C)C 1218753434 ZLKZNHMCQRUXRK-UONOGXRCSA-N 323.393 -0.974 30 20 DBED C=CCOCC(=O)N[C@@H]1CN([C@H](C)c2cnccn2)C[C@@H]1O 1219364132 ZBAZECWVMDRZNM-BNOWGMLFSA-N 306.366 -0.099 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)Cc2cn(C)nc2C)C1 1219813962 MREWFQHVIPPHPJ-CABCVRRESA-N 320.393 -0.918 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCCCN2C)C1 1219879627 OLXXDTCOFIVZHN-KFWWJZLASA-N 309.410 -0.718 30 20 DBED C=CCCN1CC[C@@H]2CN(C(=O)CS(=O)(=O)N(C)C)[C@@H]2C1 1221988925 LVUUHEPXDJIYBH-CHWSQXEVSA-N 315.439 -0.013 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)Cn3ccnc3)[C@@H]2C1 1222094164 YDMACVJYLNEBEU-ZIAGYGMSSA-N 315.377 -0.835 30 20 DBED C=CCN1CCC(CNC(=O)CCn2cc[nH]c(=O)c2=O)CC1 1224855997 WOROHZYOPTWDNZ-UHFFFAOYSA-N 320.393 -0.059 30 20 DBED C=CCn1cc(CNC(=O)N2CC[C@@H](S(C)(=O)=O)C2)nn1 1325949498 WKEUQQDGDPPBMW-LLVKDONJSA-N 313.383 -0.207 30 20 DBED COc1ccc(CNC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)cn1 1326098051 BXNJXUFNZABQPC-HNNXBMFYSA-N 318.333 -0.417 30 20 DBED C#CC1CCN(C(=O)C(=O)N2CCN(C(=O)COC)CC2)CC1 1328424919 IVBSKEOZPMWQRF-UHFFFAOYSA-N 321.377 -0.825 30 20 DBED CCN1CCN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)CC1 1329274593 TYVAJQSFWRDQGK-CQSZACIVSA-N 319.409 -0.651 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)C(=O)NCc2ncccc2F)C1 1329346217 FOFPAGUXCQZEAH-CQSZACIVSA-N 306.297 -0.286 30 20 DBED CC[C@H]1CN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)CCCO1 1329453025 OGUHVCLMJGHSPR-WFASDCNBSA-N 309.366 -0.109 30 20 DBED C=CC[C@H](CC)NC(=O)C(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1OC 1330482250 QXIHCCORMCBOMI-AXFHLTTASA-N 318.395 -0.615 30 20 DBED C#CCCCCNC(=O)C(=O)N1C[C@@H]2CN(C(C)=O)C[C@@H]2C1 1331666344 QJGMNWIGHFRYSJ-OKILXGFUSA-N 305.378 -0.157 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CCC[C@]2(C)CO)nn1 1332044312 PIYQBWVEOOYAIJ-CQSZACIVSA-N 307.354 -0.546 30 20 DBED C#CCN(C(=O)C(=O)NC[C@H]1CC[C@@H](C(=O)N(C)C)O1)C(C)C 1333100288 OTGBXVDHSAUYHV-OLZOCXBDSA-N 323.393 -0.391 30 20 DBED C#CCOCCn1nnnc1N1CCN(C(=O)OCC)CC1 1334469291 JUGAEBJHIQNYOC-UHFFFAOYSA-N 308.342 -0.399 30 20 DBED CC#CCN(C)c1nnnn1CCS(=O)(=O)NC(C)C 1337112241 ACKBEVLGYGAFNX-UHFFFAOYSA-N 300.388 -0.540 30 20 DBED C#CCN(C(=O)C(=O)N1CCN(c2cnn(C)c2)CC1)C(C)C 1338209801 ZPVJOWAQJDGZIC-UHFFFAOYSA-N 317.393 -0.061 30 20 DBED C#CCCCNC(=O)C(=O)NCCS(=O)(=O)NC(C)(C)C 1342351528 UQNGFTBMPXHYJW-UHFFFAOYSA-N 317.411 -0.650 30 20 DBED C[C@H](N)[C@H]1CCN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1 1348715436 WTLFTTKHUKCDQU-SGMGOOAPSA-N 319.409 -0.619 30 20 DBED N#C[C@H]1CC[C@@H](NC(=O)C(=O)N2CC[C@H]3NC(=O)CC[C@H]3C2)C1 1350875515 ZYNUEKXWFGHCSM-WUHRBBMRSA-N 318.377 -0.078 30 20 DBED CO[C@H]1COCC[C@H]1CNC(=O)NCCn1cnc(C#N)n1 1364291569 QRULMZUZSCEJOB-QWRGUYRKSA-N 308.342 -0.500 30 20 DBED CC(C)CN1CCO[C@H](CNc2[nH]c(=O)n(C)c(=O)c2C#N)C1 1365209242 UNVFCFNQSQDXMQ-LLVKDONJSA-N 321.381 -0.286 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCN1CCN([C@H](C)C(=O)N(C)C)CC1 1366853488 VMOXRLNQQIVQJT-UONOGXRCSA-N 323.441 -0.301 30 20 DBED CC(=O)N[C@H](C)C(=O)N(C)CCNC(=O)c1cc(C#N)c[nH]1 1386839145 ICZIVUFMIBOFOW-SECBINFHSA-N 305.338 -0.401 30 20 DBED CC(=O)N1CC(C(=O)N(C)C2CC(NC(=O)[C@H](C)C#N)C2)C1 1405835729 RSTVJJPYZFIUPI-UHEGKEBESA-N 306.366 -0.270 30 20 DBED CCc1c(C(=O)NCCn2cc(C#N)c(O)nc2=O)cnn1C 1413307307 HQOQWIKYZLYEGJ-UHFFFAOYSA-N 316.321 -0.454 30 20 DBED Cc1cnn(C)c1C(=O)N(C)C[C@@H](O)CNC(=O)[C@@H](C)C#N 1413316312 NABMQZARJVBXIF-ONGXEEELSA-N 307.354 -0.563 30 20 DBED CCO[C@@H](C)C(=O)N1C[C@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 1414044858 RCIPJTFGTXQRGI-BIMULSAOSA-N 320.349 -0.387 30 20 DBED C[C@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)[C@H]1CCC(=O)N1 1415140652 JLDKMNYXSRTMHF-PSASIEDQSA-N 303.322 -0.601 30 20 DBED C[C@@H](C#N)C(=O)NCC1CCN(C(=O)[C@H](C)NC(N)=O)CC1 1429710570 UCMPSBFRXGGWEO-UWVGGRQHSA-N 309.370 -0.442 30 20 DBED Cc1cc(C(=O)NC[C@@H](C)NC(=O)[C@H](C)C#N)ncc1C(N)=O 1431728009 CEIGOCNQIJKGRU-NXEZZACHSA-N 317.349 -0.117 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]1CNC(=O)C(C)(C)S(C)(=O)=O 1432114774 AIAWRTFMMSGFQH-VHSXEESVSA-N 315.395 -0.314 30 20 DBED N#CCc1ccccc1CC(=O)NC[C@]1(O)CCS(=O)(=O)C1 1433989709 FIZFNWLWOIQCCP-OAHLLOKOSA-N 322.386 -0.039 30 20 DBED COC(=O)c1cc(Nc2[nH]c(=O)n(C)c(=O)c2C#N)cn1C 1434441994 JFHIDIAKWLAOHN-UHFFFAOYSA-N 303.278 -0.186 30 20 DBED C=C(Cl)CNC[C@@H](O)CNC(=O)c1cn(C)c(=O)n1C 1439059922 UALZIJXRQNJADR-SECBINFHSA-N 302.762 -0.843 30 20 DBED CC(C)NC(=O)CN1CCN(CCN(C)C(=O)[C@@H](C)C#N)CC1 1443295784 ZVBYPUGBGOFXSZ-AWEZNQCLSA-N 323.441 -0.253 30 20 DBED C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)[C@@H]1CN(C)CCO1 1454582270 RQNOJJFZNIXOMV-GWCFXTLKSA-N 319.365 -0.549 30 20 DBED Cc1nn(C)c(C)c1[C@@H](O)CNC(=O)[C@H](C)n1cnc(C#N)n1 1457179161 LKNRJTDOHIITBO-QWRGUYRKSA-N 317.353 -0.089 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC[C@H](NCCCS(C)(=O)=O)C1 1480613268 HDIQPTPAXASZHL-GXTWGEPZSA-N 318.439 -0.061 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@H](NCC(=O)NC2CCOCC2)C1 1490878411 JWFBRKAMIOOSGV-RAIGVLPGSA-N 308.382 -0.322 30 20 DBED C=C(C)Cn1c(CCO)nnc1N1CCO[C@H](CNC(C)=O)C1 1523952514 YSOISVJEKJQVHE-CYBMUJFWSA-N 323.397 -0.270 30 20 DBED CN1C(=O)CN(CC(=O)[C@H](C#N)C(=O)c2nccn2C)C1=O 1524762243 YXUAEHMKCZOGOV-QMMMGPOBSA-N 303.278 -0.794 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)C[C@H]2CCC(=O)N2C)CC1 1535888407 MGYQPQGOUHMCIZ-WDEREUQCSA-N 306.366 -0.078 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)Cc2c(C)noc2C)C1 1566679975 NWLYJRIVPAKZSX-CYBMUJFWSA-N 318.377 -0.226 30 20 DBED COCC1(O)CCN(c2cnc(C#N)c(-c3nn[nH]n3)n2)CC1 1579748599 XGMHHDUVYKIAFZ-UHFFFAOYSA-N 316.325 -0.494 30 20 DBED N#Cc1cn(CCC(=O)NCCC[C@@H]2CCCN2)c(=O)nc1O 1580080978 NZORIOFXCYAMNN-LBPRGKRZSA-N 319.365 -0.141 30 20 DBED C#CC[C@@H](NC(=O)CCc1nc(-c2nc[nH]n2)no1)C(=O)O 1588405353 MGSVZFHXAZZATM-SSDOTTSWSA-N 304.266 -0.620 30 20 DBED C#CCN(CC(=O)O)C(=O)NCc1nc([C@H]2CCCO2)n[nH]1 1588408907 LNFIJHRNGMTNCF-SECBINFHSA-N 307.310 -0.114 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CC[C@H]2C(=O)O)CC1 1588431375 XBPXICRMLSKJSC-CHWSQXEVSA-N 321.377 -0.619 30 20 DBED C=CCOC[C@@H](NC(=O)C(=O)c1c(C)nn(C)c1C)C(=O)O 1588851169 XFJNVUYSEXXBMK-SNVBAGLBSA-N 309.322 -0.008 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C)c1ccc(-c2nn[nH]n2)nn1 1588929290 URLLWEJDMHAEAS-QMMMGPOBSA-N 301.314 -0.631 30 20 DBED C[C@@](C#N)(NC(=O)CN1CCC([C@@H](O)C(=O)O)CC1)C1CC1 1589323390 CBNOLVKARIKCKA-HIFRSBDPSA-N 309.366 -0.048 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)CC2(C(=O)O)CC2)CCN1C1CC1 1601063577 UBUMTAQSKJCXBC-LLVKDONJSA-N 313.379 -0.147 30 20 DBED N#Cc1ccc(CC(=O)N2CCNC(=O)[C@H]2CC(=O)O)cc1 1601098328 MDSLAXAGFKWYDX-GFCCVEGCSA-N 301.302 -0.098 30 20 DBED O=C(CCN/C(O)=C1/N=CC=CC1=O)N[C@H]1C[C@H](C(=O)O)C1 1601280024 UXBJEPVHIUPLDU-LZMSEXBVSA-N 307.306 -0.118 30 20 DBED C=CCn1c(C[S@](C)=O)nnc1N1CCO[C@H](C(=O)O)C1 1602935178 AKJUPRCHRAGAAK-FPVGNUTFSA-N 314.367 -0.368 30 20 DBED Cc1cc(-c2nn[nH]n2)c(O)nc1C(=O)NCC#CCN(C)C 1605509947 MUBOULKPUSJDSU-UHFFFAOYSA-N 315.337 -0.429 30 20 DBED C#CCNC(=O)[C@H](C)N(C)CCCNC(=O)C[C@H]1CCOC1 1712939097 ARGGXXFZQWSZRC-UONOGXRCSA-N 309.410 -0.011 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)C[C@H]2CCOC2)CC1(C)C 1717900139 CAEODFRWCXDRKX-ZIAGYGMSSA-N 321.421 -0.011 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCN1CCN(CC#CCOC)CC1 1752364745 CLSZAUZHDCPSMN-QGZVFWFLSA-N 323.437 -0.303 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1C[C@@H](NC(=O)Cc2nonc2C)C1 1752771759 BHWZNYYVWPZHOG-SDDRHHMPSA-N 319.365 -0.705 30 20 DBED C=CCN1CC[C@H](N[C@H](C)CNC(=O)CCn2cncn2)C1=O 1752859349 AKVZGNIPHRNUBW-OLZOCXBDSA-N 320.397 -0.451 30 20 DBED C=CCNC(=O)NC(=O)CN1CC(NC(=O)C[C@](C)(O)C=C)C1 1753375519 MPQHMWCEMLFEJN-OAHLLOKOSA-N 324.381 -0.874 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@@H](C)NC(=O)c1c(C)nn(C)c1F 1754252937 QJVPQPXIMIBJBR-KOLCDFICSA-N 323.372 -0.287 30 20 DBED C[C@@H](CN(C)CCCN1C(=O)CNC1=O)NC(=O)C#CC1CC1 1754312365 ZSCJMPXMIVHDIY-LBPRGKRZSA-N 320.393 -0.222 30 20 DBED C#CCNC(=O)[C@H](C)N1CC(N(C)C(=O)[C@@H](C)OCC#C)C1 1754575044 MQIRALVZFPMNRG-QWHCGFSZSA-N 305.378 -0.695 30 20 DBED C#CCN(C(=O)c1c[nH]c(=O)cn1)C1CCN(CCCO)CC1 1754640177 JQTJXPGGEXZQRU-UHFFFAOYSA-N 318.377 -0.308 30 20 DBED C=CCNC(=O)CN1CC[C@@](C)(NC(=O)c2cnnn2CC)C1 1754669653 DTVZFTIKCYUVQW-OAHLLOKOSA-N 320.397 -0.206 30 20 DBED C#CCNC(=O)CN1CC[C@@](C)(NC(=O)c2[nH]nnc2C)C1 1754677546 JKNMJMLPKLMAJK-CQSZACIVSA-N 304.354 -0.943 30 20 DBED C#CCCN1CC[C@@](O)(CNC(=O)c2cccc(C(N)=O)c2)C1 1754752092 ALFQWGRAXVYWAM-QGZVFWFLSA-N 315.373 -0.025 30 20 DBED CNC(=O)CN1CCC[C@@](CO)(NC(=O)C#CC(C)(C)C)C1 1754856883 TUXRNSDDOFXWMM-MRXNPFEDSA-N 309.410 -0.275 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H]1COCCN1Cc1nonc1C 1754967437 IIMCZFAWIJCWJR-CHWSQXEVSA-N 322.365 -0.267 30 20 DBED C#CCCN[C@@]1(CO)CCCN(C(=O)[C@@H](C)S(C)(=O)=O)C1 1755086515 SYEVVNUUESUSIT-OCCSQVGLSA-N 316.423 -0.614 30 20 DBED C=CCNC(=O)CN[C@H]1CN(C(=O)CN2CCCC2)C[C@H]1C 1755122691 SQFQIVYUMCQQJG-KGLIPLIRSA-N 308.426 -0.179 30 20 DBED C#CCOCCC(=O)NC[C@H](C)N(C)[C@H]1CCC(=O)NC1=O 1755299635 FPHRYRQWGOOAFO-RYUDHWBXSA-N 309.366 -0.732 30 20 DBED Cc1noc(C)c1C(=O)N[C@@H](C)C1CN(CC(=O)NCC#N)C1 1755370079 HVZNMMNTWPZIOH-VIFPVBQESA-N 319.365 -0.019 30 20 DBED C#CCNC(=O)CN1CC([C@H](C)NC(=O)Cc2cnc(C)o2)C1 1755378154 CWFVFMLKZZBGQC-NSHDSACASA-N 318.377 -0.289 30 20 DBED C#CCNC(=O)CN[C@@H](C)CN(C)C(=O)C1(C)CCOCC1 1755612190 DMZIEGXRHDBIFD-ZDUSSCGKSA-N 309.410 -0.011 30 20 DBED CC#CCN[C@@H]1CN(C(=O)CN2CCOCC2=O)CC1(C)C 1755756245 BFSAHDBTNGRYBM-CYBMUJFWSA-N 307.394 -0.305 30 20 DBED CN(C(=O)C(N)=O)C1CCC(NC(=O)CSCC#N)CC1 1755983642 GEGLOYPXMJOJPF-UHFFFAOYSA-N 312.395 -0.386 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H](C)N(C)C(=O)Cn1cccn1 1756026758 KPOIKJSHDHANHG-QWHCGFSZSA-N 306.366 -0.116 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H](CO)NC(=O)c1cnoc1CC 1756520913 GRVRCIJOIKXOAF-QWRGUYRKSA-N 323.349 -0.518 30 20 DBED C#CCOCCC(=O)N[C@H]1CC[C@@H](CNC(=O)CC(=O)NC)C1 1756642110 PPVMNSZZFSBFJC-OLZOCXBDSA-N 323.393 -0.437 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@@H](NC(=O)Cn2cncn2)[C@H](C)C1 1757106099 AJNRVJKOYIMQKK-JHJVBQTASA-N 319.365 -0.721 30 20 DBED C=CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)N1 1795289320 VPIZWFZTJNNUOD-OXIQGZBJSA-N 321.377 -0.569 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(COC)CC1)C2 1800450349 AXFPQLVWPSUHDZ-DABQJJPHSA-N 306.362 -0.364 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cncc(O)c1)C2 1800455009 YQNRZYKUZBAYTR-JJLQDPRZSA-N 315.329 -0.376 30 20 DBED C=C(C)CN(CC)C(=O)[C@H](C)N1CCN2C(=O)C(=O)NC[C@@H]2C1 152703358 XFRKYRSRBLDNGG-QWHCGFSZSA-N 322.409 -0.558 30 20 DBED C=CCC[C@@H](O)CN(C)CC(=O)N[C@H]1CCS(=O)(=O)C1 245995224 HHHZNGJTADZBKS-NWDGAFQWSA-N 304.412 -0.451 30 20 DBED C#CC[C@@H](NS(=O)(=O)c1cc(C(=O)OC)co1)C(=O)O 275068759 WEAGPQISOKWHLB-MRVPVSSYSA-N 301.276 -0.179 30 20 DBED C[C@@H](C(=O)N1CC(C)(C#N)C1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 281751034 JVGGBVGEBOWIAA-MTVMDMGHSA-N 317.345 -0.091 30 20 DBED CCC(CC)(C(=O)Cn1c(=O)c(C#N)cn(C)c1=O)C(=O)OC 285048978 GLRIZWXVICQIEL-UHFFFAOYSA-N 321.333 -0.033 30 20 DBED C[C@@H]1CN(C(O)=Nc2nccn(C)c2=O)C[C@H]1N1CCOCC1 329399929 AXCVGQHPZUTBJU-VXGBXAGGSA-N 321.381 -0.022 30 20 DBED Cc1onc(CC(=O)NCCC(=O)N2CCN(C)CC2)c1C#N 332557675 OHKGHUGGDULLLQ-UHFFFAOYSA-N 319.365 -0.323 30 20 DBED Cn1nccc1N1CCC[C@@H](NC(=O)Cn2cnc(C#N)n2)C1 333691714 JFPBUIWVYSNUIW-LLVKDONJSA-N 314.353 -0.332 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N[C@@H]2C[C@H]3OCCC[C@H]23)CCO1 337179723 LSFBZAFSUCXJLB-DDHJBXDOSA-N 301.368 -0.387 30 20 DBED C[C@H]1CN(C(=O)C(=O)NCc2cccc(C#N)c2)C[C@H](CO)O1 340146668 DYJDRUPRBCHBOL-SMDDNHRTSA-N 317.345 -0.217 30 20 DBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cn(C)nn1 342485546 VUNGUIMRHXUPHW-JTQLQIEISA-N 312.337 -0.172 30 20 DBED C=CCOC[C@H](NC(=O)[C@H]1CN(CC)CCO1)C(=O)OC 357672244 QIFUSDJUUYZJIL-NWDGAFQWSA-N 300.355 -0.433 30 20 DBED C=CCOCCCC(=O)N1CCN(CCS(N)(=O)=O)CC1 359439369 OATLORTYFHSDLI-UHFFFAOYSA-N 319.427 -0.598 30 20 DBED C=CCNC(=O)NC(=O)CN1CCN(c2nccnc2C)CC1 366921072 DOUWFGXBWDAINM-UHFFFAOYSA-N 318.381 -0.081 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N[C@H]2CCCN[C@@H]2C)nn1 424543335 JJELWKOWFBKCAF-PWSUYJOCSA-N 306.370 -0.663 30 20 DBED COC(=O)CN1CCN(CC(=O)N(CCC#N)CCC#N)CC1 429670457 KOPILHRNVPXKAY-UHFFFAOYSA-N 321.381 -0.567 30 20 DBED C=C(CC)CNC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 456832970 YSDQNVLXIRYTIJ-UHFFFAOYSA-N 305.338 -0.484 30 20 DBED Cc1nn(C)c(N2CCN(C(=O)CCNC(N)=O)CC2)c1C#N 471674173 PKHCDJIZKVUCOM-UHFFFAOYSA-N 319.369 -0.693 30 20 DBED CS(=O)(=O)N1CC(CN[C@H](C(N)=O)c2ccc(C#N)cc2)C1 488188656 PKQMRGQXRKACEC-ZDUSSCGKSA-N 322.390 -0.434 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)Cc2cnn(C)c2)CC1 490651453 SCUUZLBZZWPHLJ-UHFFFAOYSA-N 317.393 -0.754 30 20 DBED C#CCNS(=O)(=O)c1ccc(S(=O)(=O)NC)c(C)c1 490740891 OQPIPLPXAQADSV-UHFFFAOYSA-N 302.377 -0.185 30 20 DBED COC[C@H](CNCCS(=O)(=O)c1ccc(C#N)cn1)OC 567710621 NWCNWTJLEQODDL-LBPRGKRZSA-N 313.379 -0.022 30 20 DBED Cc1cc(NC(=O)C(=O)N2CC(=O)N[C@@H](C)C2)ncc1C#N 584300509 SSLIUVKCFMGASZ-VIFPVBQESA-N 301.306 -0.453 30 20 DBED C[C@H]1CCN(C(=O)C(=O)NC2CCN(CC#N)CC2)[C@H]1CO 588125985 VYXPHJMPVMHBLF-AAEUAGOBSA-N 308.382 -0.680 30 20 DBED CC#CC[C@@H](CO)NS(=O)(=O)c1cnn(CC(=O)OC)c1 592111114 GLWNNARXNBWPRH-JTQLQIEISA-N 315.351 -0.891 30 20 DBED Cc1cc2c(NC(=O)[C@H]3CCS(=O)(=O)N3)n[nH]c2cc1C#N 593850818 VXHMSVAJWCKEBX-SNVBAGLBSA-N 319.346 0.373 30 20 DBED CC(=O)N1CCN(C(=O)[C@H](C)n2ccc(C#N)cc2=O)CC1 596326953 BCQCZILORBKXHU-NSHDSACASA-N 302.334 -0.028 30 20 DBED COC(=O)CN(CC#N)C(=O)[C@H](C)n1cnc2c(N)ncnc21 597272252 AMJVVSROWOSZBP-QMMMGPOBSA-N 317.309 -0.505 30 20 DBED Cn1cc(N2C[C@H](C(=O)N3CCO[C@@H](C#N)C3)CC2=O)cn1 599370234 HOQUEQGJIQJIGG-PWSUYJOCSA-N 303.322 -0.476 30 20 DBED CNS(=O)(=O)CCCNC(=O)COc1ccc(C#N)cc1 600665074 HOVANNAAGOQQDZ-UHFFFAOYSA-N 311.363 -0.007 30 20 DBED N#Cc1cccc(S(=O)(=O)NCC(=O)NC[C@H]2C[C@@H](O)C2)c1 600839797 OZXFRFOHIRWZBB-TXEJJXNPSA-N 323.374 -0.276 30 20 DBED N#C[C@H]1CN(C(=O)NCCS(=O)(=O)CC2CC2)CCO1 767225261 WNBZPABQZAYNMY-NSHDSACASA-N 301.368 -0.255 30 20 DBED C#C[C@H](NCC(=O)N1CCN(C(=O)C2CC2)CC1)[C@H]1CCCO1 775802078 XWZKJEKCRDZEBH-LSDHHAIUSA-N 319.405 -0.162 30 20 DBED C#CCC[C@@H](O)CNC(=O)c1ccc(S(N)(=O)=O)cc1F 799076798 QUKPQWPXRMNMMK-SECBINFHSA-N 314.338 -0.023 30 20 DBED C#CCC[C@@H](O)CNS(=O)(=O)N(CCC#N)CCOC 800139797 WNZMLRUJOOUXFL-GFCCVEGCSA-N 303.384 -0.543 30 20 DBED C#CCCCS(=O)(=O)NC[C@H]1CCCN1S(C)(=O)=O 805046734 HCPMAOZOJJYLRS-LLVKDONJSA-N 308.425 -0.257 30 20 DBED C#CCn1ccc(CN(CC)C(=O)Cn2nc(C)n(C)c2=O)n1 846999544 PODBXCHXDFAQCJ-UHFFFAOYSA-N 316.365 -0.231 30 20 DBED C#CC[C@H](CO)NC(=O)CS(=O)(=O)NC1CCC(C)CC1 854546445 FTTCWQCHAXVAKF-WXRRBKDZSA-N 316.423 -0.015 30 20 DBED C#CC[C@@H](CCOC)NC(=O)NCCNS(=O)(=O)CC 858194757 IYLHNRPODFSUSN-NSHDSACASA-N 305.400 -0.347 30 20 DBED CC#CCNCc1cn(CC(=O)N=[S@@](C)(=O)N(C)C)nn1 881386106 GGRJZHWKFLDXOR-OAQYLSRUSA-N 312.399 -0.508 30 20 DBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCCN1CCNC1=O 898046961 ZGPHFISPCPIXED-RYUDHWBXSA-N 324.381 -0.775 30 20 DBED N#CCNC(=O)CNC1(C(=O)N2CCOCC2)CCCCC1 934058163 WHOHSWVPPWVWGW-UHFFFAOYSA-N 308.382 -0.223 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H](C)C#N)C1 938170869 QOQCPFNEDWBNQC-RDBSUJKOSA-N 302.378 -0.039 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@H](CNC(=O)C2=CCOCC2)C1 944561285 QCEOVKMPOQGTRX-WCQYABFASA-N 307.350 -0.164 30 20 DBED O=C(NC[C@H]1CN(C(=O)C#CC2CC2)CCO1)c1ccncn1 944733276 JNWDLDDRBWEOHE-ZDUSSCGKSA-N 314.345 -0.153 30 20 DBED N#Cc1c[nH]c(C(=O)NC2CCN(C(=O)CC(N)=O)CC2)c1 945566544 PDBVHKFNVIKQPS-UHFFFAOYSA-N 303.322 -0.517 30 20 DBED C=CCn1cc(C(=O)N(C)[C@H]2CCCN(CC(N)=O)CC2)nn1 948836534 ILTPGBHHIXBQRG-LBPRGKRZSA-N 320.397 -0.124 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)C1(C(N)=O)CC1)CCO2 949170658 OYJRVCGCAFGMHY-UHFFFAOYSA-N 305.378 -0.422 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]1CNC(=O)c1ccn(C)c(=O)c1 950953036 UPJWELPKALGSBW-CMPLNLGQSA-N 302.334 -0.124 30 20 DBED CC(=O)N1CCC[C@@H]1C(=O)N(C)C1CN(C(=O)[C@H](C)C#N)C1 954560002 JTXIIQNQIWELBP-ZWNOBZJWSA-N 306.366 -0.174 30 20 DBED COc1c(C(=O)N(C)C2CN(C(=O)[C@H](C)C#N)C2)cnn1C 954934446 BOXDGLDSGMRXJH-SECBINFHSA-N 305.338 -0.129 30 20 DBED C#CCCN1C[C@@H](O)[C@@H](CNC(=O)c2cc(OC)ncn2)C1 958073780 NQUKVAJWHPPNKK-WCQYABFASA-N 304.350 -0.469 30 20 DBED Cc1nnc2ccc(C(=O)NC[C@@H]3CN(CC#N)C[C@@H]3O)cn12 958199242 GAJXHRJYNYMHAE-OLZOCXBDSA-N 314.349 -0.416 30 20 DBED CC#CCN1C[C@H](O)[C@H](CNC(=O)c2cnc3cccnn23)C1 958453980 RTSFLQQXSHHYTG-OCCSQVGLSA-N 313.361 -0.225 30 20 DBED C=CCn1cccc1C(=O)NC[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C 959573973 VQUPJTHVUQNGND-VXGBXAGGSA-N 318.377 -0.016 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1ccn(C)n1 960406900 BXNAHHLVBNZLCC-WCFLWFBJSA-N 317.349 -0.368 30 20 DBED C=CCN1C[C@H]2[C@H](NC(=O)Cn3ncn4nccc4c3=O)[C@H]2C1 961909885 DEUQJHCYHGXOTJ-YABSGUDNSA-N 314.349 -0.877 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)C1=CCOCC1 964152142 CTDJCDILDNZGFO-AAEUAGOBSA-N 307.350 -0.164 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)c1cn(C)nn1 966401546 QULDVWIBRSPRBI-ZYHUDNBSSA-N 301.350 -0.195 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2CCCCCN2CC(N)=O)nn1 969061710 CZNKKEAAXVNEIR-GFCCVEGCSA-N 320.397 -0.076 30 20 DBED Cn1cc(C(=O)NC[C@H]2CCCCCN2CC#N)c(O)nc1=O 969142121 WJFGGZMQXRQHLX-LLVKDONJSA-N 319.365 -0.016 30 20 DBED C#CCN1CC([C@H](C)NC(=O)c2cc(=O)n3[nH]cnc3n2)C1 970738237 TVFJCVBVXOZANM-VIFPVBQESA-N 300.322 -0.899 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)c3cc(=O)n(C)o3)C2)C1 972350831 ALGOMAOKFJJTDV-OAHLLOKOSA-N 305.334 -0.472 30 20 DBED C=CCN1CC[C@@H](N2CCCN(C(=O)CC(N)=O)CC2)C1=O 980873318 RIABMHRDNYMMHL-GFCCVEGCSA-N 308.382 -0.817 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2cnn[nH]2)C1 983317213 OONXZURUBZVQHK-LOWVWBTDSA-N 319.365 -0.026 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC(NC(=O)c2cc(C)[nH]n2)C1 990366796 JKULKLGJQORCIJ-AWEZNQCLSA-N 315.377 -0.244 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H](NC(=O)CC)[C@@H](O)C2)nn1 991139392 OKWSJTMTYSKVNF-JQWIXIFHSA-N 307.354 -0.434 30 20 DBED Cn1cncc1C(=O)N[C@@H]1CCN(C(=O)C#CC2CC2)C[C@H]1O 991564434 CAILMOGHKNGIKF-TZMCWYRMSA-N 316.361 -0.475 30 20 DBED C=CCN1CCC[C@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)[C@@H]1C 993920899 VSHLKHIKMZNEDY-QWRGUYRKSA-N 322.365 -0.438 30 20 DBED Cc1nc(O)[nH]c1C(=O)NC1CN(C(=O)c2cc(C#N)c[nH]2)C1 994062516 LXCAEUAKSZTVDN-UHFFFAOYSA-N 314.305 -0.122 30 20 DBED C[C@H](C#N)C(=O)N1CC(NC(=O)c2ccc3c(n2)OCCO3)C1 996345804 GDHRMVSVMHKMCI-SECBINFHSA-N 316.317 -0.047 30 20 DBED C=CCN1CC[C@H](NCC2CCN(C(=O)C(N)=O)CC2)C1=O 998025686 SHUZUOYKTHZIIA-LBPRGKRZSA-N 308.382 -0.913 30 20 DBED C#CCN[C@@H]1CCCN(C(=O)CCc2nnc(O)nc2O)C1 999586958 LJZDGOPENNUJEI-SNVBAGLBSA-N 305.338 -0.571 30 20 DBED N#CCN1CC[C@H](n2cc(CNC(=O)c3cocn3)nn2)C1 999953390 CECUBASLXJTRSU-NSHDSACASA-N 301.310 -0.034 30 20 DBED C#CCN1CC[C@H](n2cc(CNC(=O)[C@H]3CCCO3)nn2)C1 999964436 YNILXHCKBZBDMW-UONOGXRCSA-N 303.366 -0.047 30 20 DBED CN(C[C@@H]1CCCN1C(=O)C(N)=O)C(=O)c1ccc(C#N)[nH]1 1002909998 HQKHRBGPKJAELL-JTQLQIEISA-N 303.322 -0.565 30 20 DBED C=CCCN1CCC[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C1 1007458001 UMGYJYPCMJWLPS-CYBMUJFWSA-N 320.393 -0.296 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C(=O)CCN2CCOCC2)CC1 1011549164 OLWSDBMEZJFNJP-ZDUSSCGKSA-N 308.382 -0.461 30 20 DBED C#CCN1CC[C@H](NC(=O)Cn2nnc(-c3ccco3)n2)C1 1015050490 SCWCLTDVJPSSEN-NSHDSACASA-N 300.322 -0.243 30 20 DBED C[C@H](C#N)C(=O)N1CCC2(CN(C(=O)Cn3nccn3)C2)C1 1019054544 RCZQAOJFHBDMGT-LLVKDONJSA-N 302.338 -0.501 30 20 DBED O=C(N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O)c1ccncn1 1025221627 XRCZWBVYHRPOBN-CHWSQXEVSA-N 300.318 -0.809 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)[C@@H]1COC(=O)N1 1026423591 YZDRAOOGHMHWSQ-JLLWLGSASA-N 305.334 -0.529 30 20 DBED CC#CCN1[C@H]2CC[C@H]1CN(C(=O)CN1C(=O)CCC1=O)C2 1029577962 LRKIKYPDRZJCBM-STQMWFEESA-N 303.362 -0.166 30 20 DBED C#CCCN1[C@H]2CC[C@H]1CN(C(=O)C[C@H]1CC(=O)NC1=O)C2 1029608726 CROVKXKKSLOOIJ-AGIUHOORSA-N 303.362 -0.262 30 20 DBED N#CCN1CC(CNC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 1031869777 YUJVGLFZPFQCFD-CABCVRRESA-N 322.409 -0.562 30 20 DBED CC#CCN1CC[C@H](N(C)C(=O)CN2CCN(C)C(=O)C2)C1 1033204972 CYMHJUZKEKYQJW-AWEZNQCLSA-N 306.410 -0.684 30 20 DBED CCN(C(=O)c1cc(=O)n2[nH]cnc2n1)[C@H]1CCN(CC#N)C1 1034018636 HAVLLBUZCUXPNW-JTQLQIEISA-N 315.337 -0.522 30 20 DBED C#CCCN1CCO[C@@H](CNC(=O)[C@H]2CCCCN2C(N)=O)C1 1035570832 CYAZUKWSCWXPFW-UONOGXRCSA-N 322.409 -0.240 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)CN3C(=O)CNC3=O)CC[C@H]21 1036888674 MXTJSJIDEYHLFB-VXGBXAGGSA-N 304.350 -0.906 30 20 DBED C=C(C)CCC(=O)N1CC[C@@](O)(CNC(=O)Cn2nccn2)C1 1039825486 PGLYSNOOXZPRNP-OAHLLOKOSA-N 321.381 -0.286 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)C2CCOCC2)C1 1040762229 GWKUINDQDCFDHP-NHYWBVRUSA-N 309.366 -0.348 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)Cc2cscn2)C1 1040766690 RVDVCRRFOVVAMY-HZMBPMFUSA-N 322.390 -0.075 30 20 DBED C=CCC1(C(=O)NC[C@]2(O)CCN(C(=O)CC(N)=O)C2)CCC1 1040816108 XYTCEKMRODVANK-MRXNPFEDSA-N 323.393 -0.312 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)COCC2CC2)C1 1041646916 DJZAVCKXALQJSV-UHFFFAOYSA-N 324.377 -0.858 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)[C@@H](C)n2cncn2)C1 1042936190 BRZAXTOXZJFBAF-GFCCVEGCSA-N 319.365 -0.812 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)C#CC(C)(C)C)C1 1042969626 XHSQFWVPRJTCOG-CYBMUJFWSA-N 320.389 -0.236 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)Cc2ccoc2)C1 1043032522 CVYOZWBRASEXEH-UHFFFAOYSA-N 320.345 -0.449 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)c2cnn(CCF)c2)C1 1043746904 VKTDNJAEDXETRF-JTQLQIEISA-N 323.328 -0.685 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)CCn2ccnc2)C1 1044138031 VOXCYKYQCHYZTI-UHFFFAOYSA-N 318.377 -0.378 30 20 DBED CC#CCN1CC(N(C)C(=O)CN2C(=O)NC(C)(C)C2=O)C1 1044261149 UQNULCMXQUOYSX-UHFFFAOYSA-N 306.366 -0.517 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)[C@@H]2CCO[C@H]2C2CC2)C1 1045546883 SBMRWBQGENRRHV-RTXFEEFZSA-N 321.377 -0.349 30 20 DBED N#Cc1nc(=N[C@H]2C[C@H](CNC(=O)[C@@H]3CCC(=O)N3)C2)cc[nH]1 1046862160 RZUZUBVDQDYWPL-DCAQKATOSA-N 314.349 -0.645 30 20 DBED Cc1[nH]nc(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)C#N)C2)c1O 1049388105 GMBAMZVBEICULR-HGNGGELXSA-N 321.337 -0.773 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H]([C@H](C)NC(=O)COC)C1 1050489437 CBOCLTNVVWXGHQ-RYUDHWBXSA-N 309.366 -0.875 30 20 DBED C#CCCN1CCOC[C@@H]1CNC(=O)c1cn(C)c(=O)n1C 1051263508 ZZHUHXCNDCTXGF-LBPRGKRZSA-N 306.366 -0.822 30 20 DBED Cn1nncc1C(=O)N1CC[C@H](N2CCN(CC#N)CC2)C1 1052022192 JIDVVTLPBQZXLF-LBPRGKRZSA-N 303.370 -0.829 30 20 DBED N#CCN1CCN([C@H]2CCN(C(=O)CN3CCCC3)C2)CC1 1052118196 NWGOJCJFZGLEQF-HNNXBMFYSA-N 305.426 -0.176 30 20 DBED C[C@@H]1CN(C(=O)CCNC(N)=O)C[C@@H]1CNC(=O)C#CC1CC1 1052574189 YWSHEQRGYMYJKA-YPMHNXCESA-N 320.393 -0.331 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCCN([C@H](C)C(N)=O)CC2)nn1 1052774848 LKBNKZONGKNDMK-VXGBXAGGSA-N 320.397 -0.078 30 20 DBED CC#CCN1CCC[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)CC1 1052863471 NVWMTPWLDYUXKS-CYBMUJFWSA-N 320.393 -0.126 30 20 DBED C#CCN1CC2(C1)CN(C(=O)C(C)(C)S(C)(=O)=O)CCO2 1053454096 QPRVNJLKSHKHBF-UHFFFAOYSA-N 314.407 -0.644 30 20 DBED CCn1cc(C(=O)NC[C@@H]2CCC3(CN(CC#N)C3)O2)nn1 1053680146 YJZACLYNCJOBGR-NSHDSACASA-N 304.354 -0.215 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)[C@]3(C)CCNC(=O)C3)CO2)C1 1053843251 IEHQJVVTYSVONI-XJKSGUPXSA-N 319.405 -0.115 30 20 DBED C=CCN1CC2(C[C@@H](NC(=O)CC3CS(=O)(=O)C3)CO2)C1 1053851671 XRTKHTGWYOIWLV-GFCCVEGCSA-N 314.407 -0.433 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCC[C@@](CO)(NC(=O)CC)C1 1055665488 GPQKAQKJTCDHKT-WMLDXEAASA-N 321.421 -0.036 30 20 DBED C#CCCCCC(=O)N[C@]1(CO)CCCN(C(=O)C(N)=O)C1 1055894531 FPTAMOJDSCBHGK-OAHLLOKOSA-N 309.366 -0.865 30 20 DBED COCC(=O)N1CCC[C@@](CO)(NC(=O)c2c[nH]c(C#N)c2)C1 1055894680 JASQYYNDTDFWRQ-OAHLLOKOSA-N 320.349 -0.384 30 20 DBED C[C@]1(C(=O)N2CCN(c3cnc(C#N)cn3)CC2)CCNC1=O 1056018630 IKYHNYSMADGYPT-HNNXBMFYSA-N 314.349 -0.477 30 20 DBED N#Cc1ccc(N2C[C@@H]3C(NC(=O)Cn4cnnn4)[C@H]3C2)nc1 1056129723 WBORENSBNDAPJN-QWRGUYRKSA-N 310.321 -0.809 30 20 DBED Cc1cc(C#N)nc(N2C[C@H]3[C@H](NC(=O)c4ncn(C)n4)[C@H]3C2)n1 1056202807 PYPNGZNXVDLZLF-GDNZZTSVSA-N 324.348 -0.350 30 20 DBED N#Cc1ccc(N2C[C@H]3[C@H](NC(=O)[C@@H]4CCC(=O)N4)[C@H]3C2)nc1 1056263697 QWWWRESGWVRQJV-OZTPJHRESA-N 311.345 -0.217 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)C(N)=O 1056401457 GTXQWLMMZQUJNH-UTUOFQBUSA-N 307.350 -0.898 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)c1cnnn1CC 1057439488 PDCVNEZBYGKYND-UHFFFAOYSA-N 321.381 -0.348 30 20 DBED C=C[C@@](C)(O)CC(=O)N(CCO)CCNC(=O)c1[nH]cnc1C 1057451070 DQBBFVWCHPUWPG-OAHLLOKOSA-N 324.381 -0.404 30 20 DBED O=C(C#CC1CC1)NCCN(CCO)C(=O)CCc1ncc[nH]1 1057458524 YIFNIDDOVDMLOK-UHFFFAOYSA-N 318.377 -0.307 30 20 DBED COc1cncc(C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N)n1 1057577558 GKIDVRNZCOTLNH-JTQLQIEISA-N 321.337 -0.804 30 20 DBED C#CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)CCOCC 1057583594 UOAKLDFKHSERTM-ZDUSSCGKSA-N 314.382 -0.612 30 20 DBED CCc1cc(C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N)no1 1058233275 COTXVCWLHDWJIG-JTQLQIEISA-N 308.338 -0.053 30 20 DBED C=C[C@H](C)[C@H](C)C(=O)N(CCO)CCNC(=O)c1cn(C)nn1 1058434937 AOMVCVSAYYNOOR-RYUDHWBXSA-N 323.397 -0.176 30 20 DBED COc1ccc(C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N)nn1 1058813766 BBSVRAQCVZZALE-JTQLQIEISA-N 321.337 -0.804 30 20 DBED Cc1cc(=N[C@H]2CCN(C(=O)Cn3cnnn3)C2)c(C#N)c[nH]1 1058837009 QKTYZONMYUHVBL-LBPRGKRZSA-N 312.337 -0.617 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)CC1(O)CCC1 1061561823 AVSSPQFLTKQNQV-NEPJUHHUSA-N 309.366 -0.205 30 20 DBED Cc1cc(C#N)nc(N2[C@H]3CC[C@H]2CN(C(=O)C(N)=O)C3)n1 1062018591 KVLJCCNMPZRNEE-QWRGUYRKSA-N 300.322 -0.678 30 20 DBED CS(=O)(=O)CC(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(C#N)nc1 1062447936 NYIWFPMLVAGWTD-STQMWFEESA-N 320.374 -0.213 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)C[C@H](C)OC)CCO1 1064954482 WKQGDDPTZBANPM-STQMWFEESA-N 314.382 -0.042 30 20 DBED Cc1nnccc1C(=O)N1CCO[C@@H](CNC(=O)[C@H](C)C#N)C1 1065388804 ATTUZJMXLGZTLF-PWSUYJOCSA-N 317.349 -0.098 30 20 DBED COCC1(C(=O)NC[C@H]2CN(C(=O)[C@@H](C)C#N)CCO2)CC1 1065562430 ZJUIMMSXEAYEGI-RYUDHWBXSA-N 309.366 -0.084 30 20 DBED C#CCO[C@H](C)C(=O)N1CC2(CN(C(=O)C3CC3)CCO2)C1 1068266250 HZJLIXVRCYITHE-GFCCVEGCSA-N 306.362 -0.126 30 20 DBED C=CCCC(=O)N[C@@H]1COC2(C1)CN(C(=O)c1cnn(C)n1)C2 1068754248 YWOIXJGSZFKFPZ-NSHDSACASA-N 319.365 -0.119 30 20 DBED CC#CCCCC(=O)N1CC2(C[C@H](NC(=O)CC(N)=O)CO2)C1 1068782946 SPQBHFWOLDMDGX-LBPRGKRZSA-N 321.377 -0.459 30 20 DBED CCn1cc(C(=O)N2C[C@H](n3ccnn3)[C@H](NCC#N)C2)cn1 1070162245 YQSPGHGMSOHXBR-OLZOCXBDSA-N 314.353 -0.327 30 20 DBED C=C(C)C[C@@H](C)C(=O)NC1(CNC(=O)C(N)=O)CCOCC1 1070210362 ZWOUANZZFHPSAT-LLVKDONJSA-N 311.382 -0.144 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)c2cn[nH]c2)CCOCC1 1070231537 YUQJOXRRHQWJAX-SNVBAGLBSA-N 305.338 -0.035 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CCCN(C(=O)c2c[nH]c(C(N)=O)c2)C1 1070759145 JYDNNHXBDWUAMR-GXSJLCMTSA-N 317.349 -0.006 30 20 DBED CO[C@@H]1CC[C@H](C(=O)N2CCC(=O)NCCN(CC#N)CC2)C1 1070975297 JWUHHGWCJCDDEJ-UONOGXRCSA-N 322.409 -0.024 30 20 DBED CC#CCN1C[C@H](NC(=O)Cn2c(O)nnc2O)CC[C@@H]1C 1072027298 WPTKQXJWADCSSB-WDEREUQCSA-N 307.354 -0.318 30 20 DBED CC#CCN1CCCO[C@@H](CNC(=O)c2cn(C)c(O)n2)C1 1073755497 AQNQJTKFISYJHR-LBPRGKRZSA-N 306.366 -0.030 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)c3coc(C(N)=O)c3)C[C@@H]21 1074302953 ZWCHYFVOBORDNP-STQMWFEESA-N 317.345 -0.073 30 20 DBED CCN(C(=O)[C@H]1CCC(=O)N1)C1CN(C(=O)CSCC#N)C1 1079484840 ATJOQEBJAGUHNO-LLVKDONJSA-N 324.406 -0.419 30 20 DBED CCN(C(=O)Cn1cnnc1O)C1CN(C(=O)[C@@H](C)C#N)C1 1079648962 QNTJDLVPKVKYDE-VIFPVBQESA-N 306.326 -0.797 30 20 DBED CCN(C(=O)C#CC1CC1)C1CN(C(=O)[C@@H]2CCN(C)C2=O)C1 1079742551 BHHYPFGKVNMTLM-CQSZACIVSA-N 317.389 -0.063 30 20 DBED C=CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)Cc2nc[nH]n2)C1 1079981621 WGGIVKKCBXOKDS-LLVKDONJSA-N 321.381 -0.002 30 20 DBED C=CCN1C[C@@H](NC(=O)Cn2ncn3nccc3c2=O)[C@H](C)C1 1080548073 JLJHKRPCACWPJV-VXGBXAGGSA-N 316.365 -0.487 30 20 DBED CCOCCC(=O)NC[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 1081342370 XZFVFCCQTYSOPW-KGLIPLIRSA-N 308.378 -0.238 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)CC(C)(C)O)C[C@@H]1O 1081347410 VWTIGVFHHUNUFN-NEPJUHHUSA-N 314.382 -0.715 30 20 DBED C=CCC(C)(C)C(=O)N1C[C@@H](O)[C@@H](CNC(=O)CC(N)=O)C1 1081372016 VYRQTGPSMMPWQV-WDEREUQCSA-N 311.382 -0.600 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2[nH]nnc2C)C1 1081637706 PPSYKRFKQJIJAJ-MNOVXSKESA-N 307.354 -0.372 30 20 DBED C=CC(C)(C)C(=O)NC[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1O 1081640820 RCPVKLJAAUEULX-ZYHUDNBSSA-N 321.381 -0.424 30 20 DBED C#CCCN1C[C@@H](NC(=O)c2cnc(N(C)C)cn2)[C@H](OC)C1 1081664515 FKMFNVONUIKNAU-ZIAGYGMSSA-N 317.393 -0.005 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2cn([C@H]3CCOC3)nn2)C[C@H]1C 1082847724 VQORONNXNAYYAG-FRRDWIJNSA-N 303.366 -0.077 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H]2CN(Cc3ncnn3C)C[C@@H]21 1083026108 OLIBJNPMJZAANR-SDDRHHMPSA-N 304.354 -0.614 30 20 DBED COCc1cc(C(=O)N2CCO[C@@H]3CN(CC#N)C[C@@H]32)no1 1083216901 WQNFWOXYZHKMPE-QWHCGFSZSA-N 306.322 -0.130 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CN(Cc3ncccn3)C[C@@H]2O)c1 1083392341 DDRXDSLYTKHNCI-OLZOCXBDSA-N 312.333 -0.349 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)c2nnn(C(C)(C)C)n2)C1 1083477722 AOCFSJMIRWCGOX-MNOVXSKESA-N 308.386 -0.221 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2ccnn2CC(F)(F)F)C1 1083547218 AEQKFZIKOKVLCA-SCZZXKLOSA-N 317.271 -0.256 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)Cn2cnc3c2CCCC3)C1 1083647086 LOSRQBIQFPPYMZ-OCCSQVGLSA-N 303.366 -0.553 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCCN2C(=O)C2CC2)C1 1083839236 NAGURCKQGXUCJZ-ILXRZTDVSA-N 319.405 -0.428 30 20 DBED C#CCOc1ncccc1C(=O)N[C@@H]1CN(CC#N)C[C@@H]1O 1083966571 BBKDRZAHQPRKHF-OLZOCXBDSA-N 300.318 -0.608 30 20 DBED C[C@@H](C(=O)N1CC[C@H]2CCN(CC#N)[C@H]2C1)N1C(=O)CCC1=O 1084953053 RBCNKFTYYZYLME-XQQFMLRXSA-N 318.377 -0.030 30 20 DBED C#CCN1CC[C@@H]2CCN(C(=O)[C@H]3CN(C(C)=O)CCO3)C[C@@H]21 1085085431 VCPKCERSBYASFN-OWCLPIDISA-N 319.405 -0.210 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCCC[C@H]2N[C@H](C)C(N)=O)nn1 1085356732 LZQHPQQIVHIOQI-IJLUTSLNSA-N 320.397 -0.032 30 20 DBED Cn1nnc(CN[C@H]2C[C@@H](CNC(=O)c3ccc(C#N)[nH]3)C2)n1 1086064540 SAFQJBNHAPRYPK-JGZJWPJOSA-N 314.353 -0.292 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2cnc3nccnc3c2)[C@@H](O)C1 1090331978 PJYKSSYTHBATGT-OCCSQVGLSA-N 311.345 -0.177 30 20 DBED CCN(C)CCC(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@H]1O 1090473066 DXQSTOCKQRXXHD-ZIAGYGMSSA-N 317.393 -0.039 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CCN(Cc3nc(O)n[nH]3)C[C@H]2O)C1 1090553370 AEUYRHJCBWDWGX-GHMZBOCLSA-N 321.381 -0.082 30 20 DBED CSCCC(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1091067036 KIQSFKZCBDZHDC-ZJUUUORDSA-N 307.379 -0.233 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(c2cc(C)ncn2)C[C@@H]1O 1091152794 IJGBJWALWAEPGY-XQQFMLRXSA-N 304.350 -0.511 30 20 DBED COCCCC(=O)N[C@@H]1CCN(c2nccnc2C#N)C[C@H]1O 1092137362 LSZANMUPWKVSFJ-DGCLKSJQSA-N 319.365 -0.169 30 20 DBED N#Cc1nccnc1NC1CC(CNC(=O)CNC(N)=O)C1 1092189103 FMYLOKIBMNXBNB-UHFFFAOYSA-N 303.326 -0.677 30 20 DBED CCCS(=O)(=O)CC(=O)NCCN=c1cc[nH]c(C#N)n1 1093645445 FGPAZZPEBVIKID-UHFFFAOYSA-N 311.367 -0.877 30 20 DBED C[C@]1(C(=O)NCCNc2cnc(C#N)cn2)CCCS1(=O)=O 1093721372 MGBHBPPZPSKVGW-CYBMUJFWSA-N 323.378 -0.156 30 20 DBED CN1C(=O)CCC[C@H]1C(=O)NCCN=c1cc[nH]c(C#N)n1 1093786372 VPRASYZWDMVBNJ-JTQLQIEISA-N 302.338 -0.691 30 20 DBED CC#CCN1CC(N2C[C@@H](NC(=O)c3cc[nH]n3)CC2=O)C1 1094709103 IMEDTJOIEHFRNL-NSHDSACASA-N 301.350 -0.552 30 20 DBED Cc1cc(C#N)nc(NCCCNC(=O)[C@H]2C[C@H]2C(N)=O)n1 1094785292 JTGUSJJEHSMDRB-MNOVXSKESA-N 302.338 -0.304 30 20 DBED N#CCN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC1CS(=O)(=O)C1)C2 1094950703 OFNWISXMCCPCOH-DRZSPHRISA-N 311.407 -0.086 30 20 DBED COCCO[C@@H](C)C(=O)N1CC[C@@H](N=c2cc[nH]c(C#N)n2)C1 1095058186 FDKKMCVYFVENIF-NWDGAFQWSA-N 319.365 -0.166 30 20 DBED CN(CCCNC(=O)[C@@H]1CC[C@@H]1C(N)=O)c1ccnc(C#N)n1 1095696446 AXLPUTUFXOYXSD-WDEREUQCSA-N 316.365 -0.198 30 20 DBED N#Cc1nc(=N[C@H]2C[C@H](NC(=O)CNC(=O)C3CC3)C2)cc[nH]1 1096989637 MKRZQVWOXJFKCU-XYPYZODXSA-N 314.349 -0.645 30 20 DBED CCC(=O)NCC(=O)N[C@H]1C[C@H](N=c2cc[nH]cc2C#N)C1 1097002102 UBXAOBITHUVBBM-HAQNSBGRSA-N 301.350 -0.040 30 20 DBED C[C@H](CNC(=O)C[C@@H]1CCC(=O)N1)N=c1cc[nH]cc1C#N 1097950679 UCXSPYNWCSNENW-PWSUYJOCSA-N 301.350 -0.040 30 20 DBED C#CCCN(CCO)C1CCN(C(=O)[C@H]2CCN(C)C2=O)CC1 1098457256 YWJMWVFGBMRTIY-HNNXBMFYSA-N 321.421 -0.227 30 20 DBED CC(=O)NCC(=O)N1CC[C@H](CNc2cncc(C#N)n2)C1 1098495970 GALYYAHUCGRULD-LLVKDONJSA-N 302.338 -0.255 30 20 DBED C[C@H](CCNC(=O)Cc1nc[nH]n1)N=c1cc[nH]c(C#N)n1 1099483519 MGEWEFDSNJTGDD-SECBINFHSA-N 300.326 -0.562 30 20 DBED CNC(=O)CC(=O)N[C@H]1CN(CC#N)CC2(CCOCC2)C1 1099576817 MGDSMUYJGDWHOA-GFCCVEGCSA-N 308.382 -0.367 30 20 DBED C[C@H](CCNC(=O)[C@H]1CNC(=O)N1)Nc1ncccc1C#N 1099683244 YPMZKBHTCUTGOJ-MWLCHTKSSA-N 302.338 -0.059 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)CCC2CC2)[C@H](O)C1 1099751408 AGYIXTSHCWYKSG-UONOGXRCSA-N 307.394 -0.523 30 20 DBED N#Cc1ccc(CN2CC[C@@H](NC(=O)CC(N)=O)[C@@H](O)C2)cc1 1099758878 ZDOUYUDLXGNOBX-KGLIPLIRSA-N 316.361 -0.515 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)c2nccs2)[C@H](O)C1 1100044362 VINIMPJDBCRSFK-GHMZBOCLSA-N 324.406 -0.390 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)Cc2nc[nH]n2)[C@@H](O)C1 1100070068 OQYQSQFXZAUDPQ-RYUDHWBXSA-N 309.370 -0.899 30 20 DBED CCN(CCNC(=O)[C@H](C)CC(N)=O)c1nccnc1C#N 1100676515 LHQCJJMOSDVOPD-SNVBAGLBSA-N 304.354 -0.198 30 20 DBED CC(=O)N[C@@H](C)C(=O)NC[C@H]1CCN(c2ccnc(C#N)n2)C1 1100921008 AMHPSGWYVWIFDZ-CMPLNLGQSA-N 316.365 -0.185 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H]1CCN(c2cc(F)ncn2)C1 1100973884 KJGNYDVABNCBQB-LLVKDONJSA-N 319.340 -0.302 30 20 DBED CCCN(CCNC(=O)[C@@H]1CCNC1=O)c1cnc(C#N)cn1 1101220725 ORZFMDVJUKRFCX-GFCCVEGCSA-N 316.365 -0.183 30 20 DBED CCS(=O)(=O)NCC(=O)N1C[C@H]2CN(CC#N)C[C@@]2(C)C1 1101256483 ZJBIPKLPYYCAOM-YPMHNXCESA-N 314.411 -0.770 30 20 DBED CC(=O)N1CC(C(=O)N(C)CCNc2ccc(C#N)nn2)C1 1101563203 UAJRPHSGBITTTA-UHFFFAOYSA-N 302.338 -0.303 30 20 DBED CN(CCNc1ncccc1C#N)C(=O)C1CC(=O)NC(=O)C1 1101683867 QGKDXSMDFPFCAI-UHFFFAOYSA-N 315.333 -0.124 30 20 DBED CC[C@@H](CNC(=O)C1(C(N)=O)CC1)N=c1cc[nH]cc1C#N 1103281382 HQPMRXNXHLRUST-NSHDSACASA-N 301.350 -0.053 30 20 DBED COCC#CCNCC[C@@H]1CN(C(=O)[C@@H]2COC(=O)N2)C[C@H]1C 1104144219 MMTKALLLLKXCMG-MCIONIFRSA-N 323.393 -0.181 30 20 DBED CC(C)[C@H](CNC(=O)[C@@H]1COC(=O)N1)N=c1cc[nH]c(C#N)n1 1105166023 JBVJNQPHVLDDIA-UWVGGRQHSA-N 318.337 -0.569 30 20 DBED CN(CCN(C)c1nccnc1C#N)C(=O)[C@H]1CCC(=O)N1C 1105530074 JUTIGRIUMXYWCB-GFCCVEGCSA-N 316.365 -0.136 30 20 DBED CN1CC[C@H](C(=O)NC[C@H](O)CNc2cncc(C#N)n2)C1 1105853685 PUXMENMBDPGKOH-CMPLNLGQSA-N 304.354 -0.811 30 20 DBED N#Cc1c(F)cccc1NC[C@H](O)CNC(=O)[C@@H]1CNC(=O)N1 1106088292 CQXBPLAGAGEFSU-UFBFGSQYSA-N 321.312 -0.732 30 20 DBED C#CCCN1CCO[C@](C)(CNC(=O)CCc2cn(C)nn2)C1 1108443102 HUEYVDVHWRZASH-MRXNPFEDSA-N 319.409 -0.022 30 20 DBED C[C@@H](CN=c1cc[nH]cc1C#N)NC(=O)C[C@H]1CCNC1=O 1108574174 YHSQAQVPNFPRFH-WDEREUQCSA-N 301.350 -0.182 30 20 DBED C[C@@H](CNc1ccc(C#N)nn1)NC(=O)[C@H]1CN(C)C[C@@H](C)O1 1108769197 VDSRRWBZZZYEQH-DMDPSCGWSA-N 318.381 -0.016 30 20 DBED C[C@H](CN(C)c1ccc(C#N)nn1)NC(=O)c1cnn(C)n1 1109016180 XKBGBELXJCOLAC-SECBINFHSA-N 300.326 -0.269 30 20 DBED CNC(=O)CC(=O)N[C@H]1[C@H]2C[C@H]1N(c1nc(C)cc(C#N)n1)C2 1109699614 OJZILYRQHLUNIQ-PXWWUCIGSA-N 314.349 -0.514 30 20 DBED CCO[C@H](C)C(=O)NC[C@@]1(O)CCN(c2cncc(C#N)n2)C1 1111029970 VJIDNQMCJTYQBN-ABAIWWIYSA-N 319.365 -0.169 30 20 DBED N#Cc1nccc(N2[C@H]3CC[C@@H]2C[C@H](CNC(=O)C(N)=O)C3)n1 1111270747 GTTOBAUNSINTBY-JGPRNRPPSA-N 314.349 -0.303 30 20 DBED N#Cc1ccccc1CN1CCN(C(=O)CNC(N)=O)CC1 1112608799 HXVGHVXIJXKXDL-UHFFFAOYSA-N 301.350 -0.129 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)[C@@H](OC)C2CC2)CC1 1112815440 QOXUJWGIDDVWNF-OCCSQVGLSA-N 307.394 -0.307 30 20 DBED C[C@@H](CNC(=O)Cn1cnnn1)N(C)c1ccncc1C#N 1113487722 RWWFRVAMTPDZQR-JTQLQIEISA-N 300.326 -0.419 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)CCOC(C)C)[C@H]2C1 1113896543 DAHRCIXOAHFQSS-NYTXWWLZSA-N 321.421 -0.014 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CCC(=O)NC1)N(C)c1cncc(C#N)n1 1113961692 UHSAMSXBWDTKPA-WDEREUQCSA-N 316.365 -0.185 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)COCC=C)[C@H]2C1 1114051100 OSDYOVIWVRSTQU-AVGNSLFASA-N 305.378 -0.627 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)c3cnn(CC)c3)[C@H]2C1 1114059010 YSNGVTUKDZDXTD-STQMWFEESA-N 317.393 -0.135 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1[C@@H]2CN(CCOCC=C)C[C@@H]21 1114160192 SVOLDFBYGIXEHI-VIKVFOODSA-N 305.378 -0.625 30 20 DBED C#CCOCCC(=O)NC1[C@H]2CN(CCN3CCNC3=O)C[C@H]12 1114268310 JJKZWKOXAKXZJA-STQMWFEESA-N 320.393 -0.902 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@H](CC(C)C)OC)[C@H]2C1 1114803043 FOIOHHMIDHFALP-KNCOVGOOSA-N 321.421 -0.157 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)[C@H](CC)N(C)C)[C@H]2C1 1114846110 GYGGKULPTMPGOW-AVGNSLFASA-N 308.426 -0.325 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)Cc3ncc[nH]3)[C@H]2C1 1115021291 YVNPUNSMJFLSLV-SRVKXCTJSA-N 317.393 -0.311 30 20 DBED C=CCCN1C[C@H]2C(NC(=O)COCc3nncn3C)[C@@H]2C1 1115056174 VYTMNHCOKNIUCG-VXGBXAGGSA-N 305.382 -0.046 30 20 DBED CN(CCOCCNC(=O)c1cn[nH]c1)c1cncc(C#N)n1 1115178298 SKZMPCPRUMFCKU-UHFFFAOYSA-N 315.337 -0.046 30 20 DBED C[C@@H](CN(C)C(=O)[C@H]1COCCN1C)Nc1ccc(C#N)nn1 1115682011 FDRWDOVXVCRQOS-WCQYABFASA-N 318.381 -0.062 30 20 DBED C[C@@H](CNC(=O)C(=O)Nc1cnn(CC#N)c1)Cn1cccn1 1116332333 SQEHJCFVYXJQLQ-NSHDSACASA-N 315.337 -0.006 30 20 DBED N#C[C@@]1(F)CCN(C(=O)C(=O)N2CC[C@H](N3CC=CC3)C2)C1 1117906485 BDYPKPMEBGWGAI-WFASDCNBSA-N 306.341 -0.077 30 20 DBED C=CCCOCCNC(=O)C(=O)N[C@H]1C[C@H]2CCCCN2C1=O 1118079558 HDQZIVVUDFWCBK-OLZOCXBDSA-N 323.393 -0.035 30 20 DBED C=CCC1(O)CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 1119376559 VLLDYBPBCJTPEX-LBPRGKRZSA-N 316.423 -0.307 30 20 DBED C#CCOCCn1nnnc1N1CCC[C@H](N2CCNC2=O)C1 1120160401 RYZUOFLRHOGJGW-LBPRGKRZSA-N 319.369 -0.683 30 20 DBED N#Cc1nc(=N[C@H](CO)CNC(=O)CC[C@@H]2CCCO2)cc[nH]1 1121137517 XEEDKAYPLIKFFS-RYUDHWBXSA-N 319.365 -0.382 30 20 DBED C=CCCOCC(=O)NC[C@@H](CO)N=c1cc[nH]cc1C#N 1121748914 HXICBIPQYMJEJY-ZDUSSCGKSA-N 304.350 -0.143 30 20 DBED C#CCOCCC(=O)NC[C@H](CO)Nc1nccc(OC)n1 1122029560 VMANYGMGXKJOFA-LLVKDONJSA-N 308.338 -0.586 30 20 DBED COc1ccc(CNCCNC(=O)Cn2cnnn2)cc1C#N 1123306805 YTILUUAFDYWVFU-UHFFFAOYSA-N 315.337 -0.541 30 20 DBED COC[C@@H](C)OC[C@@H](O)CNCCNC(=O)CSCC#N 1123792553 ZDFORSXIRNFVSJ-NEPJUHHUSA-N 319.427 -0.639 30 20 DBED CN(C[C@H](O)CNc1ccc(C#N)nn1)C(=O)c1cnn(C)c1 1124029777 IMAVNNDCDSPYNI-GFCCVEGCSA-N 315.337 -0.373 30 20 DBED Cc1cc(=NC[C@H](O)CN(C)C(=O)c2nc[nH]n2)c(C#N)c[nH]1 1124459982 GHTMFMGZGFTRAC-NSHDSACASA-N 315.337 -0.653 30 20 DBED CN(C[C@H](O)CN(C)c1ncccn1)C(=O)CSCC#N 1124970383 QHEVIVCQLNPEFQ-NSHDSACASA-N 309.395 -0.011 30 20 DBED COCCN(CCNC(=O)[C@@H](C)OC)c1nccnc1C#N 1126238204 LYRDAIDYHUXBHB-LLVKDONJSA-N 307.354 -0.048 30 20 DBED CNC(=O)NCC(=O)N(C)C1CC(Nc2cnc(C#N)cn2)C1 1127088389 FLIZKINXOLQFBZ-UHFFFAOYSA-N 317.353 -0.321 30 20 DBED C#CCCN1CCn2ncc(CNC(=O)CNC(=O)NC)c2C1 1128372240 MEOXKIHBNWWGQN-UHFFFAOYSA-N 318.381 -0.733 30 20 DBED C#CCCN[C@@H]1CN(C(=O)CC(=O)NCC)C[C@@H]1n1ccnn1 1129798482 WXYHCAHVXREPTQ-OLZOCXBDSA-N 318.381 -0.831 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1cnc2n1CCCCC2 1130176612 VWXCDILPBIIRNW-UHFFFAOYSA-N 318.381 -0.431 30 20 DBED Cc1cc(=O)oc(C)c1C(=O)NCCNCC(=O)NCC#N 1131077061 DFGHADCBDKOTPD-UHFFFAOYSA-N 306.322 -0.784 30 20 DBED CCN(CCC#N)C(=O)CN1C[C@@H](NC(=O)C(N)=O)CC[C@H]1C 1132253704 YMTNJAIENQAXEF-NEPJUHHUSA-N 323.397 -0.797 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H](C)[C@@H](CNCC(N)=O)C2)nn1 1133153959 AMNKPTUIQJBXNR-RYUDHWBXSA-N 320.397 -0.363 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)[C@]2(C)CCNC2=O)C1=O 1133766388 CTFWGQNOPOCRGT-XHDPSFHLSA-N 308.382 -0.995 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCCNC[C@@H](O)Cn1cccn1 1134061893 IOFMXBTXNYXPOJ-MCIONIFRSA-N 308.382 -0.459 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)Cc1cnc[nH]1 1134400996 SNSYQZGJZOZHNV-JTQLQIEISA-N 322.369 -0.942 30 20 DBED C[C@@H](C[C@@H](C)NCC(=O)NCC#N)NC(=O)CCn1ccnc1 1135132838 VDPJRLVBRONMOP-OLZOCXBDSA-N 320.397 -0.214 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(CCOCCO)CCCO1 1149383181 BAQDYAYYYWTZNL-CQSZACIVSA-N 316.398 -0.595 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)C(C)(C)CNC(C)=O)C1 1150444794 NLLVGQSXKMFHPI-AWEZNQCLSA-N 309.410 -0.011 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)Cc1cc(C)on1 1152470002 IKYMJGNFVUVQPB-LLVKDONJSA-N 321.381 -0.008 30 20 DBED C=CCO[C@@H](C)C(=O)NCCNC[C@H]1CCS(=O)(=O)C1 1153148839 MXFAEBPQUMDNNC-NWDGAFQWSA-N 304.412 -0.282 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)[C@H](CC(C)C)C(N)=O)C1=O 1153795581 SXJKKFJBWRUKKC-OLZOCXBDSA-N 324.425 -0.373 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)c2nnn(C)c2C)C1=O 1156107474 QEHXXCGSWKDCNZ-GFCCVEGCSA-N 320.397 -0.380 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)[C@@H]1CCNC(=O)C1 1156522849 DZIFAUWHQLMSEZ-NWDGAFQWSA-N 310.398 -0.701 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)c1cnn(C)c1N 1156973357 MYKVRRUXXZTOBC-JTQLQIEISA-N 308.386 -0.598 30 20 DBED C=CCNC(=O)NC(=O)CNCCCNC(=O)c1coc(C)n1 1157017967 AKESSCFFHRKOTP-UHFFFAOYSA-N 323.353 -0.296 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)CO[C@@H]1CCOC1 1157953632 NYTMYRNRIBJFFZ-CHWSQXEVSA-N 311.382 -0.974 30 20 DBED CCCN1CCC[C@@H]1C(=O)NCCCNCC(=O)NCC#N 1159327382 IEUYOXZGHPYJJS-CYBMUJFWSA-N 309.414 -0.404 30 20 DBED C#CCCN1CCO[C@@H]2CCN(C(=O)COCCOC)C[C@@H]21 1176969431 LMKHDHIUUJACEU-LSDHHAIUSA-N 310.394 -0.026 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)COCC(F)F)[C@H]1C 1179218618 BUJSTUQUEAJGTQ-QWRGUYRKSA-N 317.336 -0.404 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)c2cn(C)c(O)n2)C1 1185392304 KOIZVXHHAZXLRM-SNVBAGLBSA-N 307.354 -0.768 30 20 DBED CC[C@H](OC)C(=O)N1CC[C@H]2CN(CC(=O)NCC#N)C[C@H]21 1187143057 MPQJVVIABAWDCB-XQQFMLRXSA-N 308.382 -0.416 30 20 DBED Cc1nc(CC(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)cs1 1187655441 AUMNJLMZJVLSJF-LLVKDONJSA-N 321.406 -0.176 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2cc(C)n(C)n2)C1 1189116778 XVNRJYZEFPWHNI-CYBMUJFWSA-N 317.393 -0.376 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](N(C)CCNS(C)(=O)=O)C1 1189401524 YARMWJBSMQBKCB-QWRGUYRKSA-N 302.400 -0.772 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)COCC(F)F)C1 1191514948 HXNBAJWWTQBFCZ-NSHDSACASA-N 317.336 -0.450 30 20 DBED Cc1nocc1C(=O)N1CC[C@@H](N(C)CC(=O)NCC#N)C1 1192102967 WSRBVULDVKCPPD-LLVKDONJSA-N 305.338 -0.231 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)c2nccc(C)n2)C1 1192580400 DRYSHQQSDPWKBK-CHWSQXEVSA-N 304.350 -0.790 30 20 DBED C=CCC[C@H](C)N1C[C@@H](O)[C@H](NC(=O)CS(=O)(=O)NC)C1 1198722061 HLTALWVHFOTEEG-QJPTWQEYSA-N 319.427 -0.948 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)C(C)(C)CS(C)(=O)=O)C1 1199318484 UKQXAWJBHRZFOM-VXGBXAGGSA-N 318.439 -0.205 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)CC[C@@]2(C)CCC(=O)N2)C1 1199591721 SEVIDHBOKYQMBZ-IOASZLSFSA-N 307.394 -0.380 30 20 DBED CNC(=O)NC(=O)[C@@H](C)NC1CCN(C(=O)[C@@H](C)C#N)CC1 1199815631 DBXOSCTWCFBQRB-VHSXEESVSA-N 309.370 -0.429 30 20 DBED C[C@H](C#N)C(=O)N1CCCO[C@H](CNCCn2cncn2)C1 1200115463 MKLJPRPQENRVJK-CHWSQXEVSA-N 306.370 -0.355 30 20 DBED N#CCNC(=O)CNC1CCN(C(=O)C2CCC(O)CC2)CC1 1200292356 SKRAMMKHMRAYPM-UHFFFAOYSA-N 322.409 -0.242 30 20 DBED C=CCCCNC[C@@H]1CN(C(=O)Cn2ncnn2)CCCO1 1200519164 CTQVTZVPVBLSFV-CYBMUJFWSA-N 308.386 -0.154 30 20 DBED C#CCNC[C@H]1CN(C(=O)c2cc(=O)c(OC)c[nH]2)CCCO1 1200965022 BVMIGBIEWFVJIZ-LBPRGKRZSA-N 319.361 -0.163 30 20 DBED C#CCNC[C@H]1CN(C(=O)C(C)(C)S(C)(=O)=O)CCCO1 1201558436 OVACQDQGOTYXEC-LBPRGKRZSA-N 316.423 -0.350 30 20 DBED CCN1CCO[C@@H](C(=O)N2CCCO[C@@H](CNCC#N)C2)C1 1202115854 OJGBDERRAHSDQY-UONOGXRCSA-N 310.398 -0.562 30 20 DBED CN(C)CC1(C(=O)N2CCC(NCC(=O)NCC#N)CC2)CC1 1202207239 LDZAOQDHSODUOW-UHFFFAOYSA-N 321.425 -0.451 30 20 DBED CC#CCN[C@H]1C[C@@H](NC(=O)CN2CCNC(=O)C2)C12CCC2 1203256919 KIKHHLFHTOJPJC-UONOGXRCSA-N 318.421 -0.542 30 20 DBED CCOCC(=O)N1C[C@H]2CC[C@H]1[C@@H](NCC(=O)NCC#N)C2 1203926009 MTHFENHVMBHALV-AVGNSLFASA-N 308.382 -0.368 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2cc(CC)[nH]n2)[C@H](C)C1 1206065251 CHKLHEHMYBCTCC-BXUZGUMPSA-N 317.393 -0.228 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)[C@]2(C)CCOC2)CC1 1206688109 JNLFMGAMNYTEGV-QGZVFWFLSA-N 321.421 -0.009 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@H]2CCCCO2)C1 1207808396 YRDCVPDRTSLSLW-CHWSQXEVSA-N 308.382 -0.224 30 20 DBED CNC(=O)[C@H](C)N1C[C@@H](NC(=O)CSCC#N)[C@H](OC)C1 1211886159 DGZWHQLJDKMKFC-HBNTYKKESA-N 314.411 -0.807 30 20 DBED CC#CCN1C[C@@H](NC(=O)CCCCNC(N)=O)[C@H](OC)C1 1213139168 IZNFEYCPCXIPTK-CHWSQXEVSA-N 310.398 -0.336 30 20 DBED C=CCOCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1ncn(C)n1 1217794733 LBMPPDNMOFJRKX-QWHCGFSZSA-N 321.381 -0.457 30 20 DBED C#CCCCC(=O)N[C@@H]1CN([C@@H](CCCC)C(N)=O)C[C@@H]1O 1219542055 XENYFCDYINKENM-RDBSUJKOSA-N 309.410 -0.005 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)C[C@H](C)NC(N)=O)C1 1219620914 PYGCDGOTIXMGEW-AEJSXWLSSA-N 304.778 -0.653 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)[C@H](C)c2cncnc2)C1 1220211473 MRKANMOFWSMXKD-YUELXQCFSA-N 320.393 -0.056 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)[C@H](C)NS(=O)(=O)CC)[C@@H]2C1 1221565479 HVIVJVSWFJXXCD-YNEHKIRRSA-N 313.423 -0.520 30 20 DBED C#CCCN1CCC(CNC(=O)C[C@H](NC(C)=O)C(N)=O)CC1 1224754522 ZPLGQRYROMVKHF-AWEZNQCLSA-N 322.409 -0.782 30 20 DBED C=CCOCCN1CCC(NC(=O)Cn2cnnc2O)CC1 1226933318 BNKLTCXNSVHDCC-UHFFFAOYSA-N 309.370 -0.233 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCC(NC(=O)[C@H]2CCNC2=O)CC1 1228589403 SSXZDPOARHHMLG-YPMHNXCESA-N 322.409 -0.606 30 20 DBED C=CCN1CCS(=O)(=O)[C@H](CCNC(=O)c2ncc[nH]2)C1 1230461002 WGYJTAPCPDSDEV-LLVKDONJSA-N 312.395 -0.185 30 20 DBED C=CCN1CCS(=O)(=O)[C@H](CCNC(=O)[C@H](O)C(C)C)C1 1230461179 ZGCVGFKEPBZDGH-CHWSQXEVSA-N 318.439 -0.205 30 20 DBED C=CCCN1CC[C@H]1CN(C)C(=O)Cn1ccc(=O)n(C)c1=O 1235003010 FMYMVDKNOQUNGN-ZDUSSCGKSA-N 320.393 -0.344 30 20 DBED C#CCOCCNC(=O)C(=O)N[C@@H](C)c1nnc2ccccn12 1257124719 CXHLVUVDWXZZMW-NSHDSACASA-N 315.333 -0.328 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CC[C@H](N2CCOC2=O)C1 1261710583 CUBVSMLAQXIASM-MNOVXSKESA-N 311.338 -0.643 30 20 DBED COC/C(C)=C/C(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1 1263295488 BGFKRTPGAPFJPA-HUYFXPKMSA-N 314.363 -0.455 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)CCc2ccon2)C1 1265438624 ATVPTSSFAGILHH-OCCSQVGLSA-N 318.377 -0.064 30 20 DBED C=CCNC(=O)CNC[C@@H]1CCCCN1C(=O)[C@@H]1CCC(=O)N1 1265687733 FWADHAAUQKOKCW-STQMWFEESA-N 322.409 -0.462 30 20 DBED C#CCOCCC(=O)N1CCC[C@@H]1CNCc1nc(O)n[nH]1 1270205993 QOPMYMDPFDPTGG-LLVKDONJSA-N 307.354 -0.369 30 20 DBED Cn1ccc(NN=Cc2nc3c(c(O)nc(=O)n3C)n2C)n1 1321825776 PKKSGYFRVFVDRH-UHFFFAOYSA-N 302.298 -0.448 30 20 DBED CC[C@@H](C)NC(=O)CCNC(=O)C(=O)N1CCO[C@@H](C#N)C1 1321985990 UARVJVWNIHBJPI-MNOVXSKESA-N 310.354 -0.842 30 20 DBED C=C(Br)CNC(=O)C(=O)N[C@@H]1CC(=O)N(C)C1 1322594177 YUCZXMFMHLEWLE-SSDOTTSWSA-N 304.144 -0.642 30 20 DBED CC(C)N1C[C@H](NC(=O)C(=O)N2CC[C@](F)(C#N)C2)CC1=O 1322814360 QBODVAVUOOMTAA-YGRLFVJLSA-N 310.329 -0.424 30 20 DBED Cc1cc(NC(=O)C(=O)NCCn2cnc(C#N)n2)sn1 1324862380 ORPJKRMHRIUNQA-UHFFFAOYSA-N 305.323 -0.330 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCC(OC(C)=O)CC1)[C@@H]1CCCO1 1325474082 IZOHQXCPXDSVML-KBPBESRZSA-N 322.361 -0.163 30 20 DBED C#CC1CCN(C(=O)C(=O)N[C@@H](C)CS(C)(=O)=O)CC1 1326099144 MPFKVCUFQKYLCC-JTQLQIEISA-N 300.380 -0.593 30 20 DBED O=C(CCN/C(O)=C1/N=CC=CC1=O)NC[C@@H]1C[C@H](F)CN1 1326373681 ZJNAVGWTWSFSAS-RFLCHZHXSA-N 310.329 -0.281 30 20 DBED O=C(Cc1csc(-c2nc[nH]n2)n1)N[C@H]1CCCN(O)C1=O 1327637536 DYEDOWGZBZLLOC-QMMMGPOBSA-N 322.350 -0.033 30 20 DBED CC[C@H](C#N)NC(=O)CS(=O)(=O)CC(=O)N[C@@H](C#N)CC 1329055268 OGXLGOHJTRJLKR-NXEZZACHSA-N 314.367 -0.762 30 20 DBED COCC#CC(=O)NCCNS(=O)(=O)c1cccs1 1329227227 GGEGPHKUXIVDEX-UHFFFAOYSA-N 302.377 -0.208 30 20 DBED C#Cc1cncc(C(=O)NN2C(=O)[C@@H]3[C@H]4C=C[C@@H](O4)[C@@H]3C2=O)c1 1329881258 JXZWIVUNGOCDNC-LPWJVIDDSA-N 309.281 -0.354 30 20 DBED C[C@@H]1CN(C(=O)C(=O)Nc2cnn(CC#N)c2)CC[C@@H]1C(=O)O 1331481744 WRWXYMDPQBUBBD-KOLCDFICSA-N 319.321 -0.086 30 20 DBED C#CCOc1ccccc1CNC(=O)C(=O)N1C[C@@H]2C[C@H]1CN2 1332214740 JFIORKQQQVEFLW-KBPBESRZSA-N 313.357 -0.113 30 20 DBED CCONC(=O)CNC(=O)C(=O)NCc1ccc(C#N)cc1F 1332774818 CHUYUZJMXFPRQM-UHFFFAOYSA-N 322.296 -0.503 30 20 DBED N#C[C@H]1CCCN(C(=O)C(=O)N2CCN3CCOC[C@@H]3C2)C1 1335526819 VWRDMKXNXRZUPR-OLZOCXBDSA-N 306.366 -0.708 30 20 DBED C#C[C@@H](NC(=O)C(=O)N1CC(OCCOC)C1)[C@@H]1CCCO1 1343079246 HFNMJKLRSLCJJY-OLZOCXBDSA-N 310.350 -0.843 30 20 DBED CC#CCCNC(=O)C(=O)NC[C@H]1CCCCS1(=O)=O 1343324436 UQRKZHWSXFUJAB-LLVKDONJSA-N 300.380 -0.401 30 20 DBED Cc1cc(NC(=O)C(=O)NCCCS(C)(=O)=O)ncc1C#N 1346457967 QSXCIKWOTQWEKT-UHFFFAOYSA-N 324.362 -0.249 30 20 DBED Cn1ccc(=NC(=O)CNC(=O)c2ccc(C#N)cc2)nc1O 1363177518 QOHUFLZZOBWLPW-UHFFFAOYSA-N 311.301 -0.145 30 20 DBED COCCN(CCNC(=O)[C@H](C)C#N)C(=O)c1cnsn1 1383331314 LEOVKPSRLBUOSW-SECBINFHSA-N 311.367 -0.097 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@@H](CNC(=O)CO[C@H]2CCOC2)C1 1384479888 KNXYYFNOZJZCSE-NDBYEHHHSA-N 309.366 -0.037 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@H](NCC(=O)Nc2cnccn2)C1 1389835473 IVBSBBGLQFKPID-DCAQKATOSA-N 302.338 -0.188 30 20 DBED C[C@@H](C#N)C(=O)N(CCNC(=O)C[C@@H]1CCC(=O)N1)C1CC1 1398325100 IZEQOSCFAFDTQJ-QWRGUYRKSA-N 306.366 -0.078 30 20 DBED CC(C)[C@H](CNC(=O)CCn1cnnn1)NC(=O)[C@H](C)C#N 1399627851 WUEQASYQCPIKNS-MNOVXSKESA-N 307.358 -0.520 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)[C@@H]2CCCN(C(N)=O)C2)CC1 1400646274 ABYZTRANJCGXCF-WDEREUQCSA-N 321.381 -0.298 30 20 DBED C[C@H](C#N)C(=O)N(C)CC(C)(C)CNC(=O)Cn1cnnn1 1404260193 NYIOHPDYYVNBDP-SNVBAGLBSA-N 307.358 -0.566 30 20 DBED Cc1nn(C)cc1CC(=O)N(C)C[C@H](O)CNC(=O)[C@H](C)C#N 1405622580 TZHWZWGIUBTFGK-ZWNOBZJWSA-N 321.381 -0.634 30 20 DBED CCO[C@@H](C)C(=O)NC[C@@H](O)CNC(=O)c1cc(C#N)c[nH]1 1410054131 KGKNIFQDHBQOQN-GXSJLCMTSA-N 308.338 -0.482 30 20 DBED N#Cc1ccc(C(=O)NC2(CNC(=O)[C@H]3CCC(=O)N3)CC2)[nH]1 1410690011 TYOGLHOGPFCUFU-SNVBAGLBSA-N 315.333 -0.456 30 20 DBED COCC(=O)NCCC(=O)N[C@H](C)C1CN(C(=O)[C@@H](C)C#N)C1 1411963595 VISMAAFBYMFWDO-WDEREUQCSA-N 324.381 -0.738 30 20 DBED N#Cc1cn(CCNC(=O)Cn2cc(Cl)cn2)c(=O)nc1O 1412376330 WMQDZINNYYRHAS-UHFFFAOYSA-N 322.712 -0.513 30 20 DBED N#Cc1cnn2c(O)cc(CN3CCOC[C@H]3CCO)nc12 1413075855 HVGJABRMFIYSEN-GFCCVEGCSA-N 303.322 -0.110 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)CNC(=O)C3CC3)[C@@H]2C1 1414073616 VPCAUHDCCXVGFI-CYZMBNFOSA-N 318.377 -0.268 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CCN(C(=O)c2coc(C(N)=O)c2)C1 1414806673 YJEHVHCGWNTIJY-SCZZXKLOSA-N 304.306 -0.131 30 20 DBED Cc1cc(C)c(C(=O)NC[C@@H](O)CNC(=O)[C@@H](C)C#N)c(O)n1 1416774498 GSMUICGDZRWWLK-ONGXEEELSA-N 320.349 -0.229 30 20 DBED CC(=O)NCC(=O)N1CC[C@@]2(CCN(C(=O)[C@@H](C)C#N)C2)C1 1417225959 FUTRVISOYGFICV-XHDPSFHLSA-N 306.366 -0.267 30 20 DBED C[C@H](C#N)C(=O)NCC1CN(CC(=O)NC(=O)NC(C)(C)C)C1 1421134646 YCQULTLXDSHATJ-SNVBAGLBSA-N 323.397 -0.182 30 20 DBED C[C@H]1CO[C@H](CO)CN1Cc1cc(O)n2ncc(C#N)c2n1 1421590602 NKORNDMFXXDANC-CABZTGNLSA-N 303.322 -0.112 30 20 DBED COCC(=O)NCCC(=O)N(C)CCN(C)C(=O)[C@H](C)C#N 1433183593 ZITYEDVTUGUQFS-LLVKDONJSA-N 312.370 -0.784 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)c2ccc(=O)n(C)n2)CC1 1434005293 PRATYNPYMMSEMP-SECBINFHSA-N 303.322 -0.681 30 20 DBED CC(C)[C@H](O)C1(CNC(=O)Cn2cc(C#N)c(O)nc2=O)CC1 1466421796 QIZIDHNJIQDXRL-LBPRGKRZSA-N 320.349 -0.266 30 20 DBED COc1cc(C#N)ccc1C(=O)N1CCN(CC(N)=O)C(=O)C1 1468883192 YPFHTRSUNGDXJA-UHFFFAOYSA-N 316.317 -0.663 30 20 DBED C[C@@H](C#N)C(=O)N(C)C1CCN(C(=O)Cc2nc[nH]n2)CC1 1510169034 KNGPRSDYUMGICL-JTQLQIEISA-N 304.354 -0.044 30 20 DBED CCN1CCO[C@H](C(=O)NCCN(CC)C(=O)[C@H](C)C#N)C1 1528882170 KHXAGTBDZYTREO-OLZOCXBDSA-N 310.398 -0.169 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1cn(C(C)(C)C)nn1 1533287151 KJUVLFJSAAJINM-UWVGGRQHSA-N 322.369 -0.600 30 20 DBED CCO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1CNCc1cnn[nH]1 1576586734 SZPLNBLYYGXZDT-NQBHXWOUSA-N 306.370 -0.083 30 20 DBED N#Cc1c[nH]c(=O)n(Cc2cc(-c3nn[nH]n3)ccc2F)c1=O 1581860976 CBRFKCNCDGQRGX-UHFFFAOYSA-N 313.252 -0.224 30 20 DBED C#CCNC(=O)COC(=O)COc1ccc(-c2nn[nH]n2)cc1 1588354322 WODOYXMWIVFMRV-UHFFFAOYSA-N 315.289 -0.462 30 20 DBED C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H]2C(=O)O)cc1 1588486155 KXHRDGAVXVHKTQ-LBPRGKRZSA-N 322.342 -0.103 30 20 DBED C#CCOCCC(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2C(=O)O)C1 1588489498 BIZRUCANDWZJQR-DDHJBXDOSA-N 308.334 -0.490 30 20 DBED C[C@@H](C(=O)OC[C@@H]1CCCN1CC(=O)O)n1cnc(C#N)n1 1588606395 DYMBMFDOAYUOPN-UWVGGRQHSA-N 307.310 -0.197 30 20 DBED C=C[C@](C)(O)C(=O)N1CCN(c2ccc(C(=O)O)nn2)CC1 1588682018 IINZMHVZPZOZPF-AWEZNQCLSA-N 306.322 -0.240 30 20 DBED C=CCOC[C@H](NC(=O)CCCn1c(O)nnc1O)C(=O)O 1588854321 VXZKPLDTFSUKBX-QMMMGPOBSA-N 314.298 -0.759 30 20 DBED N#CCCN1CCN(S(=O)(=O)N2CCC[C@H]2C(=O)O)CC1 1594610568 YFSHWKZWFWZHDX-NSHDSACASA-N 316.383 -0.689 30 20 DBED COCCN(CCC#N)S(=O)(=O)N(C)C(C)(C)C(=O)O 1599235574 DIJIWYZKCCOHCM-UHFFFAOYSA-N 307.372 -0.112 30 20 DBED CCC(=NNC1=NC(=O)C(=O)N1)c1ccc(-c2nn[nH]n2)cc1 1609180582 GCPVRIQKZGANLA-UHFFFAOYSA-N 312.293 -0.417 30 20 DBED COCn1nc(C)c(S(=O)(=O)N(CC#N)CC(=O)O)c1C 1610274580 LFIVWSJQPMKFCQ-UHFFFAOYSA-N 316.339 -0.297 30 20 DBED Cn1nc(C2CC2)nc1CC(=O)NS(=O)(=O)CC1(C#N)CC1 1645872395 DGOPBOXAXAQPBC-UHFFFAOYSA-N 323.378 -0.015 30 20 DBED C#CCCCCC(=O)N[C@H](CO)CNC(=O)[C@H]1CCCN1C 1735282962 BNITZKSMZSLLSN-UONOGXRCSA-N 309.410 -0.133 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@H](NCCCS(=O)(=O)N(C)C)C1 1752621085 CPSOKFIBDURNEA-IJLUTSLNSA-N 316.427 -0.336 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@H]1[C@@H]2CN([C@@H](C)C(=O)N(C)C)C[C@@H]21 1752844036 YIOAGCJKGUXCIQ-VOZNZKSSSA-N 309.410 -0.163 30 20 DBED CCCn1cc(C(=O)NC[C@@H](C)NCC(=O)NCC#N)c(C)n1 1752909917 PQFPLTHYOMUOIP-LLVKDONJSA-N 320.397 -0.051 30 20 DBED C#CCNC(=O)CN(CC)CCNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2 1753079712 WQOUPCMQUXSNOV-MGPQQGTHSA-N 307.394 -0.259 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC[C@H](CNC(=O)c2[nH]nnc2C)C1 1753131525 XBNGUPJCAAZWFM-VXGBXAGGSA-N 320.397 -0.144 30 20 DBED C#CCNC(=O)[C@H](C)NCCN(C)C(=O)c1ccc(O)nc1 1753257789 JEMUERUHQBBFOX-NSHDSACASA-N 304.350 -0.413 30 20 DBED CCc1ncsc1C(=O)NC1CN(CC(=O)NCC#N)C1 1753378468 JQYLJAGTHBWCIP-UHFFFAOYSA-N 307.379 -0.241 30 20 DBED CC(C)C#CC(=O)NC[C@H](O)CN[C@H]1CCN(C(C)C)C1=O 1753911398 PPMBPPVZXUCDGE-KGLIPLIRSA-N 309.410 -0.278 30 20 DBED C=CCNC(=O)CNC/C=C/CNC(=O)c1cnn2cc[nH]c12 1754200171 BJDLAZHDFBPSSU-ONEGZZNKSA-N 316.365 -0.160 30 20 DBED CC#CCNC[C@@H](NC(=O)COCc1nncn1C)C1CC1 1754454375 FQXKSNWYBAWZMO-CYBMUJFWSA-N 305.382 -0.161 30 20 DBED C#CCN(C(=O)CNC(=O)CC)C1CCN([C@H](C)C(N)=O)CC1 1754635026 FWJRFSHKSVSSIK-GFCCVEGCSA-N 322.409 -0.687 30 20 DBED C=CCNC(=O)CN1CC[C@](C)(NC(=O)c2cccnn2)C1 1754681271 DCUOTZGYIKPCGG-HNNXBMFYSA-N 303.366 -0.027 30 20 DBED CC(C)(F)C(=O)NCC1(NCC(=O)NCC#N)CCOCC1 1754734953 PUFQKLYAASBXSQ-UHFFFAOYSA-N 314.361 -0.371 30 20 DBED CC#CCN[C@@H](C)[C@@H]1CCN(C(=O)CN2CCC(=O)NC2=O)C1 1754803400 BIBIYGUHDCCUFL-QWHCGFSZSA-N 320.393 -0.222 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@@H]2CN(Cc3cnn(C)n3)C[C@@H]2C1 1754842524 QXWFRGCXZORFPM-MCIONIFRSA-N 317.393 -0.256 30 20 DBED C=C(C)CNCC1(O)CCN(C(=O)[C@@H]2CN(C)C(=O)N2)CC1 1755151569 JZXBGIQEKJJDQM-LBPRGKRZSA-N 310.398 -0.471 30 20 DBED C#CCO[C@@H](C)C(=O)NC1CC(CNCC(=O)N2CCC2)C1 1755210963 BPNRLGHGQATUQJ-HSBZDZAISA-N 307.394 -0.259 30 20 DBED C#CCN[C@H](CO)CNC(=O)c1cn(C)nc1-c1ccco1 1755628090 OPKUFUVBIIMYML-NSHDSACASA-N 302.334 -0.006 30 20 DBED CC#CCN[C@@H]1CCN(C(=O)CN2CCN(C)C(=O)C2)[C@H]1C 1755656470 OJJOLERQIMHEGL-UONOGXRCSA-N 306.410 -0.637 30 20 DBED C#CCNC(=O)CN1CCC[C@H](NC(=O)CN(C)C(C)=O)[C@@H]1C 1755714368 LEALIUVBIXYOAC-JSGCOSHPSA-N 322.409 -0.817 30 20 DBED Cn1cnc(C(=O)N2C[C@@H](NCC(=O)NCC#N)C(C)(C)C2)c1 1755755239 JVQXTVXNNNWOJY-GFCCVEGCSA-N 318.381 -0.500 30 20 DBED C#CCNC(=O)CNC[C@H](NC(=O)c1cnnn1C)C(C)(C)C 1755824214 VPQJZKNNXFPWRM-LBPRGKRZSA-N 320.397 -0.701 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCOCCNC(=O)C[C@H]1CCC(=O)N1 1756377392 VHCQRCFRRCFRNC-NWDGAFQWSA-N 324.381 -0.594 30 20 DBED C#CCCCC(=O)NC[C@H](CO)NC(=O)[C@]1(F)CCOC1 1756515010 DGWUHYIPSWQQQY-RISCZKNCSA-N 300.330 -0.488 30 20 DBED C#CCN1CCC(C(=O)NC[C@@H](CO)NC(=O)[C@@H](C)CC)CC1 1756526924 BBSUCUSCQFYLBS-ZFWWWQNUSA-N 323.437 -0.029 30 20 DBED CCC(=O)N[C@@H](C)C(=O)NC[C@H](O)CN(C)C(=O)C#CC1CC1 1756661640 BRCHWQDKHSKCMV-AAEUAGOBSA-N 323.393 -0.750 30 20 DBED C#CCOCCC(=O)N[C@H]1CC[C@@H](C)N(C(=O)CNC(N)=O)C1 1756792943 IKVWKYHKBHRKIA-NEPJUHHUSA-N 324.381 -0.810 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@]2(CC)CCNC2=O)C1 1757009921 IORBUHAVPFUZLY-HSMVNMDESA-N 323.393 -0.443 30 20 DBED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc[nH]n3)[C@H]2C1 1784682711 ICISDRHZLNMYBJ-GVXVVHGQSA-N 302.334 -0.364 30 20 DBED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)C(OC)OC)CCO2 1785421074 KEMYAYGSQLLRLG-INIZCTEOSA-N 324.377 -0.151 30 20 DBED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)c1ccnnc1)C2 1846195070 YNPYTSGPTMTOTA-UHFFFAOYSA-N 314.301 -0.618 30 20 DBED C=CCNC(=O)NC(=O)CN1CCN(C(=O)[C@H]2CCCO2)CC1 69218784 ACGIBAKNSQRGDJ-GFCCVEGCSA-N 324.381 -0.679 30 20 DBED N#Cc1ccc(S(=O)(=O)N2C[C@H](O)[C@H](O)C2)c(Cl)c1 126954114 QPKFUPLSTYCKID-AOOOYVTPSA-N 302.739 -0.062 30 20 DBED C#C[C@@H](C)NS(=O)(=O)CCNS(=O)(=O)c1ccccc1 193521614 XVDHNWNIQJKMNF-LLVKDONJSA-N 316.404 -0.094 30 20 DBED C[C@H]1CCC[C@](C#N)(NC(=O)CN2C(=O)C(=O)N(C)C2=O)C1 265386836 RQRMDVJLOJQOQL-XPTSAGLGSA-N 306.322 -0.004 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCSC[C@@H]2C)C1=O 265666249 ZRNUNSIPNAWRKE-VIFPVBQESA-N 311.363 -0.073 30 20 DBED C#CCNC(=O)c1ccccc1NC(=O)[C@H](C)NS(C)(=O)=O 266798493 CPRWHYJPIIBXNA-JTQLQIEISA-N 323.374 -0.074 30 20 DBED N#CCCCS(=O)(=O)N1CC[C@H](C(=O)O)[C@H](C(=O)O)C1 275105187 MEEHONKIJPSPFQ-DTWKUNHWSA-N 304.324 -0.273 30 20 DBED C#CCN(C)CCCNC(=O)CN1C(=O)NC2(CCCC2)C1=O 293961005 LAYNOEHRNUFYSO-UHFFFAOYSA-N 320.393 -0.078 30 20 DBED Cn1cc(N2CCN(/C(O)=N/C[C@@H]3COCCO3)CC2=O)cn1 330304710 KNXUBWCFKBSDNG-GFCCVEGCSA-N 323.353 -0.602 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)NCC1(S(C)(=O)=O)CC1 331762493 NWBQFVRTFADNFE-SECBINFHSA-N 309.413 -0.368 30 20 DBED COc1cccc(C(=O)NCC(=O)NCC(=O)NCC#N)c1 343533958 WKNAJAFOTRLVEH-UHFFFAOYSA-N 304.306 -0.819 30 20 DBED COC(=O)[C@H](Nc1ccn(CC(N)=O)n1)c1cccc(C#N)c1 344548772 HDCHDQMWCRFPLK-CQSZACIVSA-N 313.317 0.566 30 20 DBED CC(=O)NC[C@@H]1CN([C@@H](C(N)=O)c2ccc(C#N)cc2)CCO1 344556079 NJKUCIYTPYHEDX-HUUCEWRRSA-N 316.361 -0.078 30 20 DBED N#Cc1cccc(CNC(=O)CN2[C@@H](CO)CC[C@@H]2CO)c1 347315809 RRBQFQPERHPZSN-HUUCEWRRSA-N 303.362 -0.008 30 20 DBED C=CCNC(=O)CNC(=O)c1cnc2c(c1)c(O)nc(=O)n2C 347902165 PAYZTLXKPUQKJJ-UHFFFAOYSA-N 317.305 -0.934 30 20 DBED COc1ccc(S(=O)(=O)NCC(=O)NCC#N)cc1F 352529749 NJTMVNIVJNARQO-UHFFFAOYSA-N 301.299 -0.248 30 20 DBED CN(CCC#N)C(=O)CCN1CCC[C@H](CS(N)(=O)=O)C1 356987474 QHGNAWCFVCSGLZ-LBPRGKRZSA-N 316.427 -0.251 30 20 DBED COC(=O)C[C@H](C)N1CCN(S(=O)(=O)[C@H](C)C#N)CC1 416420605 WLSNQIJXHQNLMX-WDEREUQCSA-N 303.384 -0.203 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@H](C)[C@H](CN)C2)C1=O 424012560 JTCDWYOZPVLPIG-GHMZBOCLSA-N 322.365 -0.594 30 20 DBED Cn1cc(CN2Cc3nnc(O)n3C[C@@H]2C(=O)O)cc1C#N 424414919 RGRRVHWIGLYLKH-SNVBAGLBSA-N 302.294 -0.337 30 20 DBED C#CCN(CC#CC)C(=O)NCCC(=O)N1CCN(C)CC1 490678838 OWINJLBWAGUMBJ-UHFFFAOYSA-N 304.394 -0.181 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2[C@H]3CCCO[C@H]32)CC1 490949076 IFVVKJSVTNBKSX-FVQBIDKESA-N 319.405 -0.305 30 20 DBED C#CCNC(=O)CN1CCN(Cc2noc(C3CC3)n2)CC1 491127069 VHRMVEIICDCQSX-UHFFFAOYSA-N 303.366 -0.186 30 20 DBED C=CCCS(=O)(=O)N1CCCN(C(=O)CNC(C)=O)CC1 528536418 HEYWQNROFXJZBX-UHFFFAOYSA-N 317.411 -0.437 30 20 DBED C=CCN(C[C@H](O)CN(C)CCOC)[C@@H]1CCS(=O)(=O)C1 572732070 QABVDSVBDXEWNT-ZIAGYGMSSA-N 320.455 -0.399 30 20 DBED N#Cc1cc(CN2CCOCC2)cn(CC(=O)NC2CC2)c1=O 590587812 FWCDTZYHERNPQT-UHFFFAOYSA-N 316.361 -0.169 30 20 DBED C=CCn1cc(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)OCC)nn1 592625926 KJCDPYXJARWWKL-UWVGGRQHSA-N 323.353 -0.350 30 20 DBED N#C[C@@H]1CN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CCO1 596115958 FQJPBPGHDMGORS-SECBINFHSA-N 312.307 -0.029 30 20 DBED COCCN(CCC#N)C(=O)C1CCN(S(N)(=O)=O)CC1 609136477 XWQBUXRDERBYNL-UHFFFAOYSA-N 318.399 -0.709 30 20 DBED Cc1cc(NC(=O)NCCC(=O)NC(N)=O)nn1CCC#N 611481990 VDBNICCNDKSXGU-UHFFFAOYSA-N 307.314 -0.188 30 20 DBED C=C[C@@H](O)C(=O)N(C)CCOc1ccc(S(N)(=O)=O)cc1 615242922 OLDDAKLPMBZFPY-GFCCVEGCSA-N 314.363 -0.282 30 20 DBED CC#CC[C@@H](CO)NC(=O)[C@H]1CCCN(S(=O)(=O)CC)C1 649189256 BAPWOZPNZFJBHE-STQMWFEESA-N 316.423 -0.061 30 20 DBED C=CCCOCCNC(=O)C(=O)N(C)C[C@H]1COCCO1 669276747 OXDWBXFDNQVSTE-LBPRGKRZSA-N 300.355 -0.431 30 20 DBED CS(=O)(=O)N[C@H]1CCCN(C(=O)[C@@H](N)CCCC#N)C1 691538272 BBRHUNZYVRFHCZ-QWRGUYRKSA-N 302.400 -0.452 30 20 DBED C[C@](O)(CNS(=O)(=O)c1cc(F)cc(C#N)c1)C(=O)O 718532263 JLVSQIBZUHQCMQ-NSHDSACASA-N 302.283 -0.189 30 20 DBED C[C@]1(C2CC2)NC(=O)N(CC(=O)N(CC#N)CC(=O)O)C1=O 736738679 UTSPBNFUXHDGID-CYBMUJFWSA-N 308.294 -0.856 30 20 DBED C#CCCN1CCN(CCc2cn(CC(=O)OC)nn2)CC1 776594071 SSKYODMGNUNMGJ-UHFFFAOYSA-N 305.382 -0.366 30 20 DBED C=C[C@](C)(CC)C(=O)OCC(=O)c1c(N)n(C)c(=O)n(C)c1=O 785757244 IJYZWBXJNINDGZ-OAHLLOKOSA-N 323.349 -0.006 30 20 DBED C#CCC[C@H](O)CNC(=O)N[C@@H]1CCOC[C@@H]1OCCOC 798460964 LBEPVVKTICOUHY-MJBXVCDLSA-N 314.382 -0.120 30 20 DBED CS(=O)(=O)N1CCN(CC(=O)OC2(CC#N)CCC2)CC1 810857831 ZWXFQCBPGYJVQR-UHFFFAOYSA-N 315.395 -0.057 30 20 DBED C#CC[C@H](CO)NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 816669934 HKXPATJNHOXLAZ-KFWWJZLASA-N 320.389 -0.072 30 20 DBED Cc1nc(CN2CCN(C(=O)[C@](C)(C#N)CC(=O)O)CC2)n[nH]1 821171413 SYDROFNVLLEDBP-AWEZNQCLSA-N 320.353 -0.238 30 20 DBED C=C[C@H](O)C(=O)N(CC(F)F)[C@@H](C)CNC(=O)[C@H](O)C=C 834459375 ZNRCDPPENDIDPQ-AEJSXWLSSA-N 306.309 -0.321 30 20 DBED C#CCOCCNC(=O)N1CCC[C@H](N2CCNCC2=O)C1 841876048 RSHGTVNBCKUMSG-ZDUSSCGKSA-N 308.382 -0.758 30 20 DBED C=CCNC(=O)COC(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 845929433 UQGFYZWYCXRNAL-NUZBWSBOSA-N 318.329 -0.361 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1CCCN(C=O)CC1 848458869 LNUBRTDKZAUYQN-UHFFFAOYSA-N 318.399 -0.743 30 20 DBED C#CC[C@@H](CO)NC(=O)CN1C(=O)c2ccccc2S1(=O)=O 854547725 IPVYIBHZXAWJOB-JTQLQIEISA-N 322.342 -0.669 30 20 DBED C=C(CNC(=O)CC1OCCO1)CNC(=O)CC1OCCO1 856338789 IRVXGMUGIPWYFD-UHFFFAOYSA-N 314.338 -0.699 30 20 DBED C#CCn1cc(CNS(=O)(=O)c2ccnn2COC)cn1 882347660 MCNZZCAYUJXGMC-UHFFFAOYSA-N 309.351 -0.205 30 20 DBED CN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CCN(C(=O)CC(N)=O)C1 936946303 APSYJAQPFXSWEU-JTQLQIEISA-N 303.322 -0.565 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[C@@H]3COC(=O)N3)C2)[nH]1 937892075 TXXWOIXLCGTHGM-ONGXEEELSA-N 317.305 -0.675 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](N(C)C(=O)CN2CCCNC2=O)C1 939395533 FCZPSGJXICUHGI-NEPJUHHUSA-N 321.381 -0.379 30 20 DBED C[C@@H](C#N)C(=O)N1CCCN(C(=O)CCc2cnn(C)n2)CC1 942153280 UWIMAANLTUHACN-LBPRGKRZSA-N 318.381 -0.032 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H]2CCN2C(=O)Cn2nccn2)c1 949294285 ZBZTTXMUAJJVEP-LLVKDONJSA-N 313.321 -0.491 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCCN(C(=O)CC(N)=O)C1 950257601 IHUINCPXWOZAEZ-XUJVJEKNSA-N 323.393 -0.050 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]1CNC(=O)c1nc2ncccn2n1 951749397 VRNXJNKJQDORHN-NXEZZACHSA-N 313.321 -0.385 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](NC(=O)c2cc(=O)n(C)o2)[C@H](C)C1 958368799 VIQACGOYNUTDGU-IVZWLZJFSA-N 306.322 -0.285 30 20 DBED C#CCCN1C[C@@H](O)[C@H](CNC(=O)c2nn(CC)nc2C)C1 958762014 CZDRDUWLZGSBIU-CHWSQXEVSA-N 305.382 -0.348 30 20 DBED N#Cc1ccc(C(=O)N2C[C@H](O)[C@H](NC(=O)CC3CC3)C2)[nH]1 961133918 AVZYGCPHXVBMGE-OLZOCXBDSA-N 302.334 -0.012 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CCCN(C(=O)Cn3cnnn3)[C@@H]2C1 963660208 BACIYOUBCAKMGY-GRYCIOLGSA-N 317.353 -0.718 30 20 DBED C#CCNC1CC2(C1)CC(NC(=O)Cn1ncn(C)c1=O)C2 964119814 MLNJWKRUCLNPOG-UHFFFAOYSA-N 303.366 -0.768 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H](NC(=O)Cn2cnnn2)CC1 964710883 SMFHPWCPWQYGBD-WDEREUQCSA-N 305.342 -0.670 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCOC2(CN(C(=O)CC)C2)C1 965413236 SORRJHYEFRBFOL-AWEZNQCLSA-N 319.405 -0.066 30 20 DBED C[C@H](C#N)C(=O)N1CC2(C[C@@H](NC(=O)Cn3cccn3)CO2)C1 965615967 HUSRNXWSHAYCIU-VXGBXAGGSA-N 317.349 -0.471 30 20 DBED C#Cc1cncc(C(=O)N2C[C@H](C)[C@H](NC(=O)C(N)=O)C2)c1 966817012 JZWJINDNYYQKRV-JOYOIKCWSA-N 300.318 -0.875 30 20 DBED N#CCN1C[C@H]2CC[C@H]1CN2C(=O)[C@@H]1Cc2cncn2C(=O)N1 971632043 SRGNRVFMQLWVRA-LOWVWBTDSA-N 314.349 -0.436 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@]2(CN(Cc3cnnn3C)CCO2)C1 972296887 FMAVUTUNDSNRQM-WFASDCNBSA-N 318.381 -0.222 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)c3cn(C)c(O)n3)[C@@H]2C1 975030668 VELCMNGJVDEZPL-HOSYDEDBSA-N 317.349 -0.042 30 20 DBED C[C@@H](NCc1cn(C)nn1)[C@@H]1CN(C(=O)C#CC2CC2)CCO1 979325599 CDHVJNVGYRCNTQ-DOMZBBRYSA-N 317.393 -0.066 30 20 DBED N#CCN1C[C@@H]2CC[C@H](NC(=O)Cn3cnnc3O)C[C@H]2C1 979614950 IZTIMOSLTQBITJ-SRVKXCTJSA-N 304.354 -0.276 30 20 DBED COCCn1nc(C(=O)N2CCCN(CC#N)CC2)ccc1=O 981583421 XKTBGXWQXAAANH-UHFFFAOYSA-N 319.365 -0.439 30 20 DBED C=CCN1CCCC2(C1)CN(C(=O)c1cn(CC(N)=O)nn1)C2 982162093 HZJAYTPFZIDPHL-UHFFFAOYSA-N 318.381 -0.513 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](CNC(=O)c2cn(C)c(=O)cn2)C1 983213910 GPLKYZCRHMQLIY-GHMZBOCLSA-N 317.349 -0.482 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](CNC(=O)c2c[nH]c(C(N)=O)c2)C1 983219685 CYYCVZLLERFKIJ-UWVGGRQHSA-N 317.349 -0.148 30 20 DBED C=CCCn1cc(C(=O)N2CC[C@H](NCC(N)=O)[C@H]2C)nn1 987169631 QEYRFQNKIXCPQX-MNOVXSKESA-N 306.370 -0.468 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)CCn3ccnn3)C2)nc1 997088325 PPPKFOBGYRHSMX-UHFFFAOYSA-N 324.344 -0.315 30 20 DBED C[C@@H](C#N)C(=O)N1CC([C@H](C)NC(=O)c2cc(=O)n(C)o2)C1 1005986798 GYROITKHTYJSTK-IUCAKERBSA-N 306.322 -0.285 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CC[C@H]1CN2C(=O)c1cnn(C)c1N 1007271283 FXALXYIKTOYYSK-OUAUKWLOSA-N 316.365 -0.023 30 20 DBED C=C(C)CN1CCC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C1 1009631395 BXDHLCVDRJEQBD-LLVKDONJSA-N 306.370 -0.466 30 20 DBED C[C@@H](NC(=O)c1cnn[nH]1)[C@@H]1CN(C(=O)C#CC2CC2)CCO1 1009692544 YQHYMNJYNREQEJ-MFKMUULPSA-N 317.349 -0.436 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C(=O)c2cccnc2C(N)=O)CC1 1011221156 WJNNSRKEFQMOIR-JTQLQIEISA-N 315.333 -0.375 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H]2C(NC(=O)Cn3cnnn3)[C@H]2C1 1012750105 KSDQATSDEIOCJN-UWVGGRQHSA-N 304.354 -0.542 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2C[C@@H](C)N(C(=O)C(N)=O)C2)cn1 1013967651 SBDDPXUKCVGKSI-SKDRFNHKSA-N 300.318 -0.733 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CCCN(C(=O)C(N)=O)[C@@H]2C)nc1 1015108220 XJIBWNGTFMMCTR-ZYHUDNBSSA-N 314.345 -0.343 30 20 DBED N#CCN1CC[C@@H](NC(=O)CN2CCCCS2(=O)=O)C1 1015288186 CRRGCSIFJUWHBA-LLVKDONJSA-N 300.384 -0.874 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCN([C@@H]3CCN(C)C3=O)C2)nn1 1015810863 STDLLRRWMORKGA-WCQYABFASA-N 318.381 -0.501 30 20 DBED C#CCN1CCC2(CC1)C[C@H]2NC(=O)CN1C(=O)CN(C)C1=O 1016964925 OASMSYFBUIDKCL-GFCCVEGCSA-N 318.377 -0.516 30 20 DBED CN1CC[C@@H](C(=O)N2[C@H]3CC[C@H]2CN(CC#N)C3)S1(=O)=O 1018051430 GPCCPNPRFWBXLN-SRVKXCTJSA-N 312.395 -0.781 30 20 DBED Cn1ccc(C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2O)c1 1023391599 JDZNEMXZPHLOCN-ZIAGYGMSSA-N 301.346 -0.260 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@H]2N(C(=O)C(N)=O)C3)c[nH]1 1026055101 HOALNGAZIZFMGX-GGZOMVNGSA-N 315.333 -0.519 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2CCCN2CC(=O)N(C)C)nn1 1028187130 CRVKHULHSRBABE-LBPRGKRZSA-N 320.397 -0.254 30 20 DBED C=CCCN1CC[C@H](CNC(=O)[C@@H]2CCS(=O)(=O)N2)C1 1028992242 FAMKBJSCWYZYFX-NEPJUHHUSA-N 301.412 -0.308 30 20 DBED CO[C@H]1C[C@H](C(=O)N2C[C@@H]3CC[C@H](C2)N3CC#N)N(C(C)=O)C1 1029409784 FNSSYUWVHQBAFI-LJISPDSOSA-N 320.393 -0.179 30 20 DBED CC#CCN1[C@H]2CC[C@H]1CN(C(=O)c1cnc(O)n(C)c1=O)C2 1029419014 YRJHJGPURGGRNP-RYUDHWBXSA-N 316.361 -0.202 30 20 DBED CC(=O)N1CCO[C@H](C(=O)N2C[C@@H]3CC[C@H](C2)N3CC#N)C1 1029569840 HJGZMHCIOSSPPD-MJBXVCDLSA-N 306.366 -0.568 30 20 DBED C#CCN1[C@H]2CC[C@H]1CN(C(=O)[C@@H]1COCCN1C(C)=O)C2 1029589481 LJEYLDLVPLWFME-KKUMJFAQSA-N 305.378 -0.458 30 20 DBED C=C(Cl)CN1C[C@@H]2C[C@H]1CN2C(=O)Cn1ncn(C)c1=O 1032485844 AQXYCGAYAQDYKL-QWRGUYRKSA-N 311.773 -0.381 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN([C@H]2CCNC2=O)C1 1032827147 JPRWEFYHJDJVBJ-IHRRRGAJSA-N 304.394 -0.837 30 20 DBED Cc1nnc(O)c(C(=O)NC[C@H]2CN(CC#N)CCO2)c1C 1035464988 BVYIHEPHTMWXRT-NSHDSACASA-N 305.338 -0.247 30 20 DBED CC[C@H]1CN(C(=O)Cn2ncn(C)c2=O)CC[C@@H]1NCC#N 1037868375 HUXWZEIEUURTPZ-RYUDHWBXSA-N 306.370 -0.678 30 20 DBED CC#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1nnc(O)nc1O 1039401481 GNGCWMUHBHODDF-MNOVXSKESA-N 317.349 -0.015 30 20 DBED C=CCCOCC(=O)N1CC[C@@](O)(CNC(=O)c2cnon2)C1 1040669756 UOUAEOQXHVMWKI-CQSZACIVSA-N 324.337 -0.645 30 20 DBED CC(C)C#CC(=O)N1CC[C@@](O)(CNC(=O)Cc2nc[nH]n2)C1 1040969130 UHJKBQCFJXSGNY-OAHLLOKOSA-N 319.365 -0.914 30 20 DBED C[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1NC(=O)c1ncn(C)n1 1041852181 OBJXUTXLPXEABU-MWLCHTKSSA-N 312.337 -0.269 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)c2cnccc2C)C1 1042039678 HGWFGRZEJIOISS-UHFFFAOYSA-N 319.361 -0.104 30 20 DBED Cc1ccc(=O)n(CC(=O)N2CC[C@@H]3CCN(CC#N)[C@@H]3C2)n1 1042321375 DNDLMZLOROIDKI-UONOGXRCSA-N 315.377 -0.002 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(O)CN(C(=O)C(C)(C)F)C1 1042809283 KCAXPKHFNSPNME-ZDUSSCGKSA-N 302.346 -0.249 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)c2cn3c(n2)CCC3)C1 1043259466 NHYDMLXCOHAARB-JTQLQIEISA-N 317.349 -0.708 30 20 DBED Cc1nonc1C(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@@H]1O 1044028677 OAFKPIVXVRNZDN-NEPJUHHUSA-N 314.305 -0.376 30 20 DBED C=C(C)CN1CC(N(C)C(=O)C2(n3cnnn3)CCOCC2)C1 1044031442 ZQKDJHNXYCSURX-UHFFFAOYSA-N 320.397 -0.103 30 20 DBED CC#CCCCC(=O)NCC1(O)CN(C(=O)c2cnccn2)C1 1045002689 FGEVKVBPTDFRTO-UHFFFAOYSA-N 316.361 -0.027 30 20 DBED C=CCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCN(C)C2=O)C1 1045026916 NYVFCCWAMIJRSQ-LBPRGKRZSA-N 323.393 -0.490 30 20 DBED C#CCN1CC[C@H](N2CCN(C(=O)[C@@H]3CCC(=O)N3C)CC2)C1 1046056376 WSJHFDUKEVJRPI-GJZGRUSLSA-N 318.421 -0.541 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cnc(N(C)C)cn2)C1 1047380918 ACWAOOBPVLYKGM-STQMWFEESA-N 305.382 -0.154 30 20 DBED C=C[C@@](C)(O)CC(=O)N(C)[C@H]1CN(C(=O)c2cn[nH]c2)C[C@@H]1O 1048757547 ILKKHAZQRPZWRC-SLEUVZQESA-N 322.365 -0.620 30 20 DBED C#CCCN1C[C@H]2CN(C(=O)Cn3nc(C)ccc3=O)C[C@H]2C1 1049183114 KMTUZKIAKRAOSJ-GASCZTMLSA-N 314.389 -0.035 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2ccnnc2)C1 1049631265 KCCPNEMWLJYSCS-STQMWFEESA-N 320.349 -0.677 30 20 DBED C#CCCCC(=O)N[C@H](C)[C@@H]1CCN(C(=O)CNC(N)=O)C1 1049982181 BMHAZFWMFKIZNS-VXGBXAGGSA-N 308.382 -0.189 30 20 DBED CC#CCN1CCOC[C@@H]1CNC(=O)[C@@H]1CCCCC(=O)N1 1051109084 COVMBLVYCNIENJ-KBPBESRZSA-N 307.394 -0.115 30 20 DBED CN(C[C@@H]1CCCCN1C(=O)C(N)=O)c1cncc(C#N)n1 1051345464 JUWUPRXGZPGCOO-NSHDSACASA-N 302.338 -0.349 30 20 DBED C=CCOCC(=O)N[C@H](C)[C@@H]1CCN(C(=O)Cc2nc[nH]n2)C1 1051643752 JHZZJKSQHXEDPQ-VXGBXAGGSA-N 321.381 -0.097 30 20 DBED C#CCN1CCN([C@H]2CCN(C(=O)[C@]3(C)CCNC3=O)C2)CC1 1052082912 YAKZARHVEFXDSY-WMLDXEAASA-N 318.421 -0.636 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)CCNC(N)=O)C[C@H]1C 1052572820 PGDSLDVEDKURGM-OLZOCXBDSA-N 322.409 -0.085 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)CCc1cnn[nH]1)CCO2 1053435618 VIIDTRWOWVBICV-UHFFFAOYSA-N 303.366 -0.326 30 20 DBED C=C(Cl)CN1CC2(C[C@H](NC(=O)[C@H]3CCC(=O)N3)CO2)C1 1053757314 SDYGHSPQISUGHN-WDEREUQCSA-N 313.785 -0.023 30 20 DBED N#Cc1nc(=N[C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)c2cnn[nH]2)C3)cc[nH]1 1054848792 BSWGDSNYEQBZJQ-AXFHLTTASA-N 324.348 -0.007 30 20 DBED C=CCCC(=O)NCCN1CCC(NC(=O)CC(=O)NC)CC1 1055539928 FPKIJVXWLYZGOP-UHFFFAOYSA-N 324.425 -0.215 30 20 DBED Cc1cc(C#N)nc(N2C[C@H]3C(NC(=O)c4cn(C)nn4)[C@@H]3C2)n1 1056198785 PKWOGQCBKWTHAN-GHMZBOCLSA-N 324.348 -0.350 30 20 DBED C=CCO[C@H](C)C(=O)N1CCC[C@H]2CN(C(=O)CC(N)=O)C[C@H]21 1056681221 BQVUHZCABMKMLK-FRRDWIJNSA-N 323.393 -0.098 30 20 DBED C#CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)c1cncnc1 1057408281 WRUOMKRXTAAMMW-LBPRGKRZSA-N 320.349 -0.934 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)C1=CCOCC1 1057409223 WTVQSVSAMVZVKH-UHFFFAOYSA-N 312.366 -0.527 30 20 DBED O=C(C#CC1CC1)NCCN(CCO)C(=O)Cc1cncnc1 1057454600 RHJHYFOHGKTTCS-UHFFFAOYSA-N 316.361 -0.630 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)c1n[nH]c2c1CCC2 1058056612 CQKWUPKDNYFSJR-JTQLQIEISA-N 319.365 -0.391 30 20 DBED Cn1ncc(C(=O)N[C@H]2CCCN(c3cncc(C#N)n3)C2)n1 1058175127 BICLVLUXBBFBGB-JTQLQIEISA-N 312.337 -0.124 30 20 DBED C=CC(C)(C)C(=O)N(CCO)CCNC(=O)c1cn(C)c(O)n1 1058304138 VMZVEGZCWRSHOJ-UHFFFAOYSA-N 324.381 -0.111 30 20 DBED N#Cc1cnc(N2CC[C@@H](NC(=O)c3cnnc(O)c3)C2)cn1 1058473508 ZQSNZFBDQZKLCW-SNVBAGLBSA-N 311.305 -0.147 30 20 DBED C#CCNC(=O)CC(=O)NCCN(CCO)C(=O)C[C@H]1C[C@H]1C 1058720081 PXRSLCOXXUDXCW-CHWSQXEVSA-N 323.393 -0.891 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)CCc1cnn(C)n1 1058857892 GUANPGDZDOLIMM-UHFFFAOYSA-N 323.397 -0.349 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H]1CC[C@H]2CN(C(=O)CC(N)=O)C[C@H]21 1060522667 BWNDKLUAEQYZBW-ZKYQVNSYSA-N 313.361 -0.101 30 20 DBED C=CCCC(=O)N1CCOC[C@@H]1CNC(=O)[C@H](C)NC(N)=O 1061523981 ADPWQLPSGLSRQX-QWRGUYRKSA-N 312.370 -0.647 30 20 DBED CN(C(=O)[C@@H]1COCCO1)[C@@H]1CCN(c2ccc(C#N)nn2)C1 1062886006 LMEXKAUZBRHALN-OLZOCXBDSA-N 317.349 -0.199 30 20 DBED CN(C(=O)Cc1nc[nH]n1)[C@H]1CCN(c2nccnc2C#N)C1 1062976541 NXAFSNJONOQYCY-JTQLQIEISA-N 312.337 -0.254 30 20 DBED N#Cc1cccnc1N1C[C@H]2C[C@H]1[C@H]2NC(=O)Cn1cnnn1 1064217176 PPCZUIQQCVBAHY-MDZLAQPJSA-N 310.321 -0.667 30 20 DBED Cc1nccn1CC(=O)NC[C@H]1CN(C(=O)[C@H](C)C#N)CCO1 1065556352 GRMJSQSJQOATBI-YPMHNXCESA-N 319.365 -0.305 30 20 DBED CN(CCCN(C)C(=O)[C@@H]1CCC(=O)N1)C(=O)C#CC1CC1 1067375763 PHAJDUUGAKZHCE-ZDUSSCGKSA-N 305.378 -0.015 30 20 DBED N#Cc1cnc(N2C[C@H](O)[C@H](CNC(=O)c3cn[nH]c3)C2)cn1 1067652076 UZSXARRVGCUBJM-PWSUYJOCSA-N 313.321 -0.702 30 20 DBED C=CC(C)(C)CC(=O)N1CCOC2(C1)CN(C(=O)CC(N)=O)C2 1068401184 XUAOPKSNQBRWSX-UHFFFAOYSA-N 323.393 -0.096 30 20 DBED C[C@H](C#N)C(=O)N1CC2(C[C@H](NC(=O)CC(C)(C)O)CO2)C1 1068842691 PSJJFGTUXVAYSC-MNOVXSKESA-N 309.366 -0.207 30 20 DBED C=C(C)C[C@H](C)C(=O)N1CC2(C[C@H](NC(=O)C(N)=O)CO2)C1 1068991695 AUQITBRAIHQOAD-QWRGUYRKSA-N 309.366 -0.440 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)Cc2cc[nH]n2)CCOCC1 1070051044 HBWCYRMDUHLKCB-LLVKDONJSA-N 319.365 -0.107 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC[C@@H](NC(=O)c2nc[nH]n2)C1 1070730307 BTGMERFXVCETCZ-WDEREUQCSA-N 305.338 -0.436 30 20 DBED C#CCN1C[C@@H](F)C[C@@H]1c1n[nH]c(CNC(=O)c2cnn[nH]2)n1 1070732283 CCPZQOYAWQVDAD-WCBMZHEXSA-N 318.316 -0.429 30 20 DBED C=CCCN1C[C@H]2C[C@H]3CN(C(=O)[C@@H]4CNC(=O)N4)C[C@@]3(C1)O2 1070845062 SELMHHRFFCIXFD-RSUWNVLCSA-N 320.393 -0.454 30 20 DBED C#CCCN1CCNC(=O)CCN(C(=O)Cn2ccnc2)CC1 1071025458 GZSMLEMQPXSIGF-UHFFFAOYSA-N 317.393 -0.443 30 20 DBED C=CCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)CN2CCNC(=O)C2)C1 1071778544 VWILJSFOIRQHFL-OLZOCXBDSA-N 322.409 -0.653 30 20 DBED C#CCCN1C[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)CC[C@@H]1C 1071989775 RGHPCOMZFFMIFQ-STQMWFEESA-N 320.393 -0.127 30 20 DBED C=CCOCC(=O)N[C@H]1CN(C(=O)CCc2cnn[nH]2)C[C@@H]1C 1072764365 MUVFXPOIQKARNT-AAEUAGOBSA-N 321.381 -0.097 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@@H]2CN(CC(N)=O)CCCO2)c1 1073566485 QDHBVDCMJHLBGA-LLVKDONJSA-N 305.338 -0.808 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)Cc3ccn(C)n3)C[C@H]21 1074238667 RLHICIHYFXGOFI-CABCVRRESA-N 302.378 -0.103 30 20 DBED CC(C)C#CC(=O)NCC1(O)CCN(C(=O)c2cnn[nH]2)CC1 1074638058 XQKHFPQUFGUNHK-UHFFFAOYSA-N 319.365 -0.453 30 20 DBED CC(=O)N[C@H](C)C(=O)NCC1(O)CCN(C(=O)[C@H](C)C#N)CC1 1074703378 CVWSXUIYEMXZID-GHMZBOCLSA-N 324.381 -0.860 30 20 DBED C=CCOCC(=O)NCC[C@H](C)NC(=O)c1nnn(C)c1C 1075918160 ZIZICEACMSAHDF-JTQLQIEISA-N 309.370 -0.049 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CN(Cc3cnsn3)C[C@H]2O)[nH]1 1076898517 MZHARTJPVFFWMX-VXGBXAGGSA-N 318.362 -0.287 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCO[C@H]2c2ccncc2)C1 1077015365 QSOJYALCMGDKGB-TUVASFSCSA-N 316.361 -0.156 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCN2c2ncccn2)C1 1077164279 KSDWJZNUFPUKFF-MGPQQGTHSA-N 317.393 -0.207 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCNC(=O)CC2)C1 1077448872 KYCVLHSLICLMEF-IJLUTSLNSA-N 315.801 -0.184 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)c2c(C)c(C)nn(C)c2=O)C1 1077488007 VUBMBTHSKQXYAB-CHWSQXEVSA-N 318.377 -0.805 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)c2cnn(CCN(C)C)c2)C1 1077817077 MIJYGJWVMWLFBM-HUUCEWRRSA-N 321.425 -0.204 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2ccc(N3CCCC3)nn2)C1 1077977569 DPMPHILLYCGESW-CHWSQXEVSA-N 316.365 -0.625 30 20 DBED CCN(C(=O)C1(C(=O)NC)CC1)C1CN(C(=O)[C@H](C)C#N)C1 1080080823 UPQRAJWISLHXPD-SNVBAGLBSA-N 306.366 -0.268 30 20 DBED CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)CS(=O)(=O)CC)C1 1080420621 YEGWOIFEGOIURI-JTQLQIEISA-N 315.395 -0.360 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@H](CNC(=O)CNC(=O)CC)C1 1081349269 NZQWFCCRPZZASM-NEPJUHHUSA-N 311.382 -0.586 30 20 DBED Cc1n[nH]cc1C(=O)N1C[C@@H](O)[C@H](CNC(=O)C#CC2CC2)C1 1081474333 PMQCCOQNFAPDGH-TZMCWYRMSA-N 316.361 -0.319 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(C(=O)c2ccoc2)C[C@H]1O 1081485053 FDDBLETTWAPRNY-ZIAGYGMSSA-N 320.345 -0.131 30 20 DBED C=CCC(C)(C)C(=O)N1C[C@@H](O)[C@H](CNC(=O)c2cnn[nH]2)C1 1081589395 DTAJATQVCMLUBX-ZYHUDNBSSA-N 321.381 -0.044 30 20 DBED C#CCOCCC(=O)N1C[C@H](CNC(=O)c2cnco2)[C@@H](O)C1 1081624314 WARZYTIGUQCQES-RYUDHWBXSA-N 321.333 -0.736 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2ncccn2)C1 1081686912 BRTKJMLPQARAJP-VXGBXAGGSA-N 304.350 -0.008 30 20 DBED C#CCCN1C[C@@H](NC(=O)[C@H](C)N2C(=O)CCC2=O)[C@H](OC)C1 1081758998 KDZWMJOOIWRBGX-YNEHKIRRSA-N 321.377 -0.637 30 20 DBED C=CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cc(C(N)=O)cn1C 1083131909 RXYQEDQAXQOPCW-UONOGXRCSA-N 318.377 -0.165 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cc(C(N)=O)co1 1083189867 MGRTWQVRPFLKFS-GXTWGEPZSA-N 317.345 -0.073 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cnn(C)c1OC 1083259702 OLHPWBWNIRDKLL-QWHCGFSZSA-N 304.350 -0.413 30 20 DBED CC(=O)Nc1ccc(C(=O)N[C@@H]2CN(CC#N)C[C@@H]2O)nc1 1083509943 GILGDGYFVFWPPT-OLZOCXBDSA-N 303.322 -0.662 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2CN3CC4CC3(CO2)C4)C1 1083654362 KNJKCFTWCYCTNK-CLPSQLOGSA-N 321.421 -0.413 30 20 DBED C=CCN1CC[C@@H](N[C@@H]2CCCCCN(C(=O)C(N)=O)C2)C1=O 1088372037 VVRSSVYYRLTDJK-CHWSQXEVSA-N 322.409 -0.381 30 20 DBED C#CCN1CC[C@H](NC(=O)Cn2ncn3nccc3c2=O)[C@H]1C 1088895275 SHYOSPHPJIGUFV-NEPJUHHUSA-N 314.349 -0.897 30 20 DBED C[C@@H]1[C@@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)CCN1CC#N 1088927071 KOMBHBCBLSBMGP-KOLCDFICSA-N 315.337 -0.826 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2cnc(C)nc2OC)[C@@H](O)C1 1090311000 PDIGVLWLQMLOOY-OLZOCXBDSA-N 304.350 -0.408 30 20 DBED C[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1NC(=O)CCNC(N)=O 1090711513 VYAUCTOVVXJMLO-MWLCHTKSSA-N 317.353 -0.652 30 20 DBED Cc1ccn2ncc(C(=O)N[C@H]3CCN(CC#N)C[C@@H]3O)c2n1 1090734833 QWOLDNIRDGNDMJ-STQMWFEESA-N 314.349 -0.274 30 20 DBED COCC[C@H](C)C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1091109542 ZZCWZCSKHFVJLZ-UHTWSYAYSA-N 319.365 -0.313 30 20 DBED N#Cc1cccnc1N[C@H]1C[C@H](CNC(=O)Cn2ncnn2)C1 1091483009 VMVBJLMVVZCXQU-UMSPYCQHSA-N 312.337 -0.053 30 20 DBED C=CCN1C[C@@H]2CN(C(=O)CN3CCOCC3=O)C[C@]2(C)C1 1091742036 PJELVZKGFYPFGX-CJNGLKHVSA-N 307.394 -0.189 30 20 DBED CCN1CCO[C@@H](C(=O)NCCNc2nc(C)cc(C#N)n2)C1 1093655035 YVZUOWZPAUQFMT-CYBMUJFWSA-N 318.381 -0.095 30 20 DBED N#Cc1cncc(NCCNC(=O)[C@H]2CCCCN2C(N)=O)n1 1093855867 IAYSHGIBNZVRBQ-LLVKDONJSA-N 317.353 -0.190 30 20 DBED Cc1cc(C#N)nc(NCCNC(=O)c2cnc(O)n2C)n1 1094060768 SGUAGBSZJPSYCB-UHFFFAOYSA-N 301.310 -0.062 30 20 DBED N#CCN1CC(N2C[C@H](NC(=O)[C@H]3CCCOC3)CC2=O)C1 1094711697 LRBGFQAXHVQHTD-NWDGAFQWSA-N 306.366 -0.662 30 20 DBED CCn1cnc(C(=O)N[C@@H]2CC(=O)N(C3CN(CC#N)C3)C2)c1 1094807658 DJDHPVYZORHKSU-LLVKDONJSA-N 316.365 -0.559 30 20 DBED CCCC(=O)NCC(=O)N1CC[C@@H](N=c2cc[nH]c(C#N)n2)C1 1095014741 OAXFANSKRKMTIU-LLVKDONJSA-N 316.365 -0.301 30 20 DBED Cc1nsc(N(C)CCCNC(=O)Cn2ncnn2)c1C#N 1095645155 DWJFVPDDOKGWCA-UHFFFAOYSA-N 320.382 -0.048 30 20 DBED C[C@@H](CC(N)=O)C(=O)N[C@H]1C[C@H](Nc2nccnc2C#N)C1 1097086725 VRZYOASPLSBOLM-GUBZILKMSA-N 302.338 -0.081 30 20 DBED C[C@@H](C(=O)N[C@H]1C[C@H](Nc2cnc(C#N)cn2)C1)S(C)(=O)=O 1097113407 RZPFOTNSVHNLGK-GUBZILKMSA-N 323.378 -0.160 30 20 DBED C[C@H](CNC(=O)CCN1CCOCC1)N=c1cc[nH]c(C#N)n1 1097945448 NTCKBZUJMUHJPC-GFCCVEGCSA-N 318.381 -0.591 30 20 DBED Cc1cc(=N[C@@H](C)CNC(=O)[C@@H]2CN(C)C(=O)N2)c(C#N)c[nH]1 1098213560 KTPYUQQKCBYUSZ-GWCFXTLKSA-N 316.365 -0.376 30 20 DBED Cc1ncnc(O)c1C(=O)NC[C@@H](C)N=c1cc[nH]c(C#N)n1 1098229511 UIJOXNMYBIFANP-MRVPVSSYSA-N 313.321 -0.195 30 20 DBED C=CCOCC(=O)N1CC[C@H](CNc2ccc3nnnn3n2)C1 1098512890 JUADZWPRWLANJJ-LLVKDONJSA-N 317.353 -0.018 30 20 DBED C[C@H]1CN(C(=O)[C@H](C)C#N)CC2(CCN(CC(N)=O)CC2)O1 1098574023 FAUYVEGJSCMJGI-NEPJUHHUSA-N 308.382 -0.287 30 20 DBED C[C@H](CCNC(=O)Cn1cnnc1O)Nc1nccnc1C#N 1098990554 XCPPUVXVADSSMU-SECBINFHSA-N 316.325 -0.348 30 20 DBED COCC(=O)N1C[C@H]2CC[C@H]1[C@H]1CN(CC(=O)NCC#N)C[C@H]21 1099380442 SKVGQRGFZLIOJY-MQYQWHSLSA-N 320.393 -0.559 30 20 DBED C/C(=C/C(=O)N[C@@H]1CCN(CC(=O)NCC#N)C[C@@H]1O)C1CC1 1099715902 MKHWOVWHFUJJHM-ZOAGNIGNSA-N 320.393 -0.466 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)C(C)(C)C(C)C)[C@@H](O)C1 1099845266 UYPWIOYAYUOVFP-KBPBESRZSA-N 323.437 -0.031 30 20 DBED CC(C)NC(=O)CCCC(=O)N[C@@H]1CCN(CC#N)C[C@H]1O 1100079228 WHTZMKVZPFWBRY-CHWSQXEVSA-N 310.398 -0.244 30 20 DBED Cc1cc(C#N)nc(N(C)CCNC(=O)[C@H]2CCCC(=O)N2)n1 1100190744 GYVUZKNDIJLQLM-GFCCVEGCSA-N 316.365 -0.122 30 20 DBED N#CCNC(=O)CNC1CC(CNC(=O)C[C@H]2COC(=O)C2)C1 1100247378 CJBFXZQHJMHEAC-MOENNCHZSA-N 322.365 -0.936 30 20 DBED CO[C@H](C(=O)NCCN(C)c1ccc(C#N)nn1)[C@@H]1CCOC1 1100250633 JWKHRYBRJWKCLV-RISCZKNCSA-N 319.365 -0.048 30 20 DBED Cc1cc(C#N)nc(N(C)CCNC(=O)c2[nH]nnc2C)n1 1100263385 MCKWQBNPJPPMFX-UHFFFAOYSA-N 300.326 -0.051 30 20 DBED C=C(C)CNC1CC(CNC(=O)[C@@H](C)NS(C)(=O)=O)C1 1100705354 AEVOGAFHERCPRK-VOMCLLRMSA-N 303.428 -0.015 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H]1CCCN1c1ncccn1 1100830398 JIDBHQLBJTVWOO-GFCCVEGCSA-N 301.350 -0.299 30 20 DBED CC(=O)N(C)CC(=O)NC[C@H]1CCN(c2ccc(C#N)nn2)C1 1100958649 AMRRZGJBUDBMNU-GFCCVEGCSA-N 316.365 -0.231 30 20 DBED Cc1cc(C(=O)NC[C@@H]2CN(CC(=O)NCC#N)C[C@H]2C)on1 1101717710 NACYVCVYDSOLOB-ZYHUDNBSSA-N 319.365 -0.080 30 20 DBED Cc1cc(C#N)nc(NCCN(C)C(=O)[C@H]2CN(C)C(=O)N2)n1 1101902820 GEDJWSOLRTZPPX-LLVKDONJSA-N 317.353 -0.449 30 20 DBED C#CCN1C[C@@H](C)[C@H](CNC(=O)[C@H](C)N2C(=O)CCC2=O)C1 1102021824 ZASLCTIOASVOHP-FRRDWIJNSA-N 305.378 -0.159 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)[C@H]2CC[C@@H](C)O2)C1 1102386128 DHQRUJZVIFCCOB-KBUPBQIOSA-N 321.421 -0.013 30 20 DBED C#CCNC(=O)CC(=O)N(C)[C@H]1CCN(c2cc(F)ncn2)C1 1102693997 SDXYSHPGYXEQPP-NSHDSACASA-N 319.340 -0.208 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)C(=O)NCC1CC1 1104065961 MHWOLRKEUNLZGZ-SNVBAGLBSA-N 316.365 -0.539 30 20 DBED C#CCNC(=O)CNCC[C@@H]1CN(C(=O)CC(C)(C)O)C[C@H]1C 1104134589 MWMMWIDKILSQBV-ZIAGYGMSSA-N 323.437 -0.029 30 20 DBED C[C@H](CNc1ccc(C#N)nn1)N(C)C(=O)[C@@H]1COCCN1C 1104527074 KYEQQXHPSBLMPZ-YPMHNXCESA-N 318.381 -0.062 30 20 DBED C[C@@H](CNc1cnc(C#N)cn1)N(C)C(=O)[C@H]1C[C@H]1C(N)=O 1104827047 NGAUYJDGDFLGJF-GDPRMGEGSA-N 302.338 -0.272 30 20 DBED C#CCNCc1cn(C2CN(C(=O)[C@@H]3C[C@@H]3C(=O)OC)C2)nn1 1105187575 AVLJGTFDEAJDNA-OLZOCXBDSA-N 317.349 -0.807 30 20 DBED C#CCNCc1cn(C2CN(C(=O)c3[nH]nnc3C)C2)nn1 1105294791 GVHIJJAGUILNKA-UHFFFAOYSA-N 300.326 -0.875 30 20 DBED C=CCCCC(=O)N1CC(n2cc(CNCC(N)=O)nn2)C1 1105316951 ATSYGORFYGQEIK-UHFFFAOYSA-N 306.370 -0.407 30 20 DBED CN(CCN(C)c1ccc(C#N)cn1)C(=O)CCNC(N)=O 1105405188 PYRAELIPVXXOID-UHFFFAOYSA-N 304.354 -0.094 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H](O)CNC(=O)Cn1cccn1 1105722585 RQNHCGNKFFBTSR-GFCCVEGCSA-N 300.322 -0.839 30 20 DBED CC(=O)N[C@@H](C)C(=O)NC[C@@H](O)CNc1ncccc1C#N 1105735195 MFURMZOMVPVVBU-CABZTGNLSA-N 305.338 -0.633 30 20 DBED Cc1cc(C(=O)NC[C@@H](O)CNc2cncc(C#N)n2)on1 1105746911 REYRGZMSMWSQJX-JTQLQIEISA-N 302.294 -0.153 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)CCNc1ccc(C#N)nn1 1106285669 VSPFXVYXSLSQBW-LLVKDONJSA-N 314.349 -0.206 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)CCc1nc[nH]n1 1107671202 MBYNXZVIHYBNIG-SECBINFHSA-N 300.326 -0.562 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)[C@H]1CCN(C)C1=O 1108071096 BXEBUVRYTATBPZ-NXEZZACHSA-N 302.338 -0.835 30 20 DBED COCC#CCN1CC(N2C[C@@H](NC(=O)C(C)C)CC2=O)C1 1108507976 VBLJIZSRNJGFST-ZDUSSCGKSA-N 307.394 -0.307 30 20 DBED C[C@H](CN(C)c1cncc(C#N)n1)NC(=O)Cn1cnnc1O 1108944728 HEVZTVYIWJGFBG-SECBINFHSA-N 316.325 -0.714 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCN1C(=O)CNC1=O 1109087825 CSJXAYKSASXNIH-USZNOCQGSA-N 319.365 -0.581 30 20 DBED C[C@@H](CN(C)c1ccc(C#N)nn1)NC(=O)c1nnn(C)n1 1109178635 AHPHWABXBIZJPK-QMMMGPOBSA-N 301.314 -0.874 30 20 DBED N#Cc1cncc(NC[C@@H](NC(=O)CNC(N)=O)C2CC2)n1 1109753744 IJMFMBRBVNDROE-SNVBAGLBSA-N 303.326 -0.677 30 20 DBED C=CCNC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1nc[nH]n1 1109861471 NKOPPOCEFHAHNO-WYUUTHIRSA-N 318.381 -0.170 30 20 DBED CSCC(=O)NC[C@]1(O)CCN(c2ccc(C#N)nn2)C1 1111031686 KBOKIIUASCZSMZ-CYBMUJFWSA-N 307.379 -0.231 30 20 DBED C[C@H](Nc1cncc(C#N)n1)[C@@H]1CCN(C(=O)CNC(N)=O)C1 1111204893 DABOUJPCPWDZID-VHSXEESVSA-N 317.353 -0.335 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN(C)CCC 1111309181 KUKSRSQOZRILDR-KFWWJZLASA-N 320.437 -0.201 30 20 DBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H]1CCN(C)C1 1111406072 RQTWXUUCKXKOJT-YJNKXOJESA-N 320.437 -0.038 30 20 DBED CC(=O)N(C)CC(=O)N(CCO)CCNc1ccc(C#N)cn1 1111441678 ABYRCAVUKZAREH-UHFFFAOYSA-N 319.365 -0.336 30 20 DBED N#Cc1nccnc1NCCN(CCO)C(=O)c1cocn1 1111445297 VWNYJBKTYUENCH-UHFFFAOYSA-N 302.294 -0.117 30 20 DBED Cn1cc(C(=O)N(CCO)CCNc2cncc(C#N)n2)nn1 1111460666 GGNDLCMLDDFSTF-UHFFFAOYSA-N 316.325 -0.977 30 20 DBED N#Cc1ccc(NCCN(CCO)C(=O)Cc2nc[nH]n2)cn1 1111505886 OWWBVYABDJHMJB-UHFFFAOYSA-N 315.337 -0.453 30 20 DBED CC(C)(C(N)=O)C(=O)N(CCO)CCNc1ccc(C#N)nn1 1111519645 XPKBXBUNYDLMHP-UHFFFAOYSA-N 320.353 -0.907 30 20 DBED CNC(=O)CC(=O)N(C)CCCN(C)c1nccnc1C#N 1112070163 DBEZNBXTFNACMF-UHFFFAOYSA-N 304.354 -0.231 30 20 DBED CC(=O)NCC(=O)N[C@H]1CCN(c2cncc(C#N)n2)[C@@H](C)C1 1112467289 LZTFJKUPIHGBMY-JQWIXIFHSA-N 316.365 -0.042 30 20 DBED C[C@H](C(=O)NC(N)=O)N1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 1112754030 HDANUGHNLZCKHA-SECBINFHSA-N 318.337 -0.772 30 20 DBED Cc1cccnc1C(=O)N1CCN(CC(=O)NCC#N)CC1 1112757922 YLYIHNHVCYVWSR-UHFFFAOYSA-N 301.350 -0.212 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)C(C)(C)C(N)=O)CC1 1112985880 RYLIUPYATGASFG-LLVKDONJSA-N 310.398 -0.667 30 20 DBED COCC#CCN1CCN(C(=O)[C@H]2CC(=O)N[C@H](C)C2)CC1 1113054035 VJLACHQZCKDTEJ-ZIAGYGMSSA-N 307.394 -0.305 30 20 DBED C[C@@H](CNC(=O)Cn1cnnc1O)N(C)c1ccc(C#N)cn1 1113568991 QWDBVKQNZBYXKV-JTQLQIEISA-N 315.337 -0.109 30 20 DBED C=C(Cl)CN1CCN(C(=O)CS(=O)(=O)N(C)C)CC1 1113594973 KSDCUQHKQNTACY-UHFFFAOYSA-N 309.819 -0.226 30 20 DBED C[C@@H](CNC(=O)C[C@@H]1CCNC1=O)N(C)c1nccnc1C#N 1113755531 FIULYEHEZRITFN-QWRGUYRKSA-N 316.365 -0.185 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3cnccc3C)[C@H]2C1 1114090537 GDJOWKLVDKODNA-KBPBESRZSA-N 312.373 -0.201 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)Cc3cc(C)[nH]n3)[C@H]2C1 1114123002 SMUCWGTZYSQXJB-FOLVSLTJSA-N 302.378 -0.043 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@H]3CCCCO3)[C@H]2C1 1114140675 KGRTWRIAJCLWLA-COMQUAJESA-N 305.378 -0.649 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)c3ncccc3O)[C@@H]2C1 1114164976 ZGDZVKRKCXUTRH-GHMZBOCLSA-N 316.361 -0.251 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)Cc3cncnc3)[C@@H]2C1 1114188335 DKQDILNOEWIPAL-ZIAGYGMSSA-N 300.362 -0.285 30 20 DBED C#CCCCC(=O)NC1[C@H]2CN(CC(=O)NCCOCC)C[C@H]12 1114196684 KYZSLFUJVSGNOF-KBPBESRZSA-N 321.421 -0.011 30 20 DBED N#Cc1nccc(N2C[C@@H]3C(CNC(=O)CC(N)=O)[C@H]3C2)n1 1114547455 WOHPTDKCRKEFMW-NXEZZACHSA-N 300.322 -0.978 30 20 DBED CCn1cc(CC(=O)NC2[C@H]3CN(CC#CCOC)C[C@H]23)nn1 1114603121 WWPSZPUGSVHJIE-KBPBESRZSA-N 317.393 -0.463 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)c3c(C)cnn3C)[C@H]2C1 1114707694 OUDIGDLIYXEULS-RYUDHWBXSA-N 317.393 -0.309 30 20 DBED CCNC(=O)CC(=O)N[C@@H](C)CCCN=c1cc[nH]c(C#N)n1 1114902459 GFWCJKXUFLIDOW-NSHDSACASA-N 318.381 -0.007 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3ccn(CC)n3)[C@H]2C1 1114921671 QQPVXGLERKZZQS-JYAVWHMHSA-N 315.377 -0.688 30 20 DBED C#CCN1C[C@H]2C(NC(=O)CCNC(=O)[C@@H]3CCCO3)[C@@H]2C1 1115350337 RKDGXYNYBTYLST-UPJWGTAASA-N 305.378 -0.649 30 20 DBED CC(C)[C@@H](O)C(=O)NCCOCCCN=c1cc[nH]c(C#N)n1 1115407198 CYZYDDINBHXVND-CQSZACIVSA-N 321.381 -0.278 30 20 DBED COCCCS(=O)(=O)NCC(=O)N1CCC(C#N)CC1 1116320256 FZIXMYJDQIZFBG-UHFFFAOYSA-N 303.384 -0.296 30 20 DBED CNC(=O)[C@H](C)NC(=O)C(=O)Nc1cccc(OCC#N)c1 1117715591 CRTZLUVSQVJZFI-VIFPVBQESA-N 304.306 -0.222 30 20 DBED C#Cc1cccc(CNC(=O)C(=O)N2CCN(C)C(=O)[C@@H]2C)c1 1118096948 FQTXXMNIEITHIF-LBPRGKRZSA-N 313.357 -0.027 30 20 DBED CN(C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)C1 1118249201 FCPZSVCAAIEABJ-SWLSCSKDSA-N 308.382 -0.726 30 20 DBED N#CCCN1CCN(C(=O)C(=O)N2CC[C@@H]3OCC[C@@H]3C2)CC1 1119021531 UDIPZOZITPUYJR-KGLIPLIRSA-N 320.393 -0.318 30 20 DBED C=C(C)[C@H]1OCC[C@H]1Cn1nnnc1N1CCCNC(=O)C1 1120204626 ULEQWFXCDPVMFX-WCQYABFASA-N 306.370 -0.019 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@@H]([C@H]2CCCN2CCO)C1 1120372979 KTUMJTOABIAQLF-HUUCEWRRSA-N 321.421 -0.179 30 20 DBED Cc1nc(N[C@H](CO)CNC(=O)c2cn(C)nn2)ccc1C#N 1121433371 WWYPUWMIFFMALM-NSHDSACASA-N 315.337 -0.407 30 20 DBED C#CCNC1CC2(C1)CC(NC(=O)[C@@H](C)NS(C)(=O)=O)C2 1121829247 QYRZTAPBGPEWSZ-YAJDGLSUSA-N 313.423 -0.426 30 20 DBED N#Cc1nc(=N[C@@H](CO)CNC(=O)c2nccs2)cc[nH]1 1121949937 WTMAXXCEXOIQHC-MRVPVSSYSA-N 304.335 -0.571 30 20 DBED C[C@@H]1[C@H](Nc2cncc(C#N)n2)CCN1C(=O)CNC(N)=O 1122928718 ACXSIORAMOMMKC-PSASIEDQSA-N 303.326 -0.582 30 20 DBED CN(C[C@H](O)CNc1ccc(C#N)nn1)C(=O)c1cnns1 1124090175 DDOZKKGOHPPKCL-SECBINFHSA-N 319.350 -0.255 30 20 DBED CN(C[C@@H](O)CNc1ncccc1C#N)C(=O)c1cnnn1C 1124271551 MBWJOXZODAHKNF-NSHDSACASA-N 315.337 -0.373 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)[C@@H]1CCOC1 1124513571 AEMINICISPPETG-WDEREUQCSA-N 312.370 -0.871 30 20 DBED C#CCCCCC(=O)NCCNCc1cc(=O)n(C)c(=O)n1C 1125951735 UKLAEOVNRPYRAU-UHFFFAOYSA-N 320.393 -0.517 30 20 DBED C#CCNCc1cccc(N2CC[C@H](NC(=O)CC(N)=O)C2)n1 1128096451 JFRLLNSBTMLVCW-ZDUSSCGKSA-N 315.377 -0.625 30 20 DBED Cc1ccn(C[C@H](C)C(=O)NCCNCC(=O)NCC#N)n1 1128217219 MLEDUPQTKARLKM-NSHDSACASA-N 306.370 -0.827 30 20 DBED C#CCN1CCn2ncc(CNC(=O)CNC(=O)CC)c2C1 1128264491 NTRBLMBIDBWWGI-UHFFFAOYSA-N 303.366 -0.526 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)CNC(=O)OC)C1 1128752247 KVHVYCSAQBFHBL-MNOVXSKESA-N 308.342 -0.838 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(C[C@@H](C)O)C[C@@H]1n1ccnn1 1128976120 KMBLHJVVZSBXPL-MCIONIFRSA-N 305.382 -0.340 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CCN(C)C(=O)C1 1130367678 QOELTDUOMVPWAR-NEPJUHHUSA-N 310.398 -0.749 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H]2C[C@@H]3CN(C(C)=O)C[C@@]3(C1)O2 1131164534 OBUFTOOMTXZWFO-XKVFNRALSA-N 305.378 -0.554 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)Cc1cncc(C)c1 1131867202 LZSAJBWPIMCCTI-CYBMUJFWSA-N 302.378 -0.224 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CC[C@H](C)N(CC#CCOC)C1 1131979907 DKOKWBJYEZSCHH-GJZGRUSLSA-N 319.405 -0.255 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1cnc2n1CCCC2 1132801729 DTJFNBJINQJRGX-GFCCVEGCSA-N 317.393 -0.323 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)CCn1cccn1)NCC(=O)NCC#N 1133726765 OLKGLOVZNBFAKF-QWHCGFSZSA-N 320.397 -0.214 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)CN1CCC[C@@H]1C 1133831262 MPPWICUHGMDLPX-AWEZNQCLSA-N 323.441 -0.061 30 20 DBED COCC#CCNCCNC(=O)c1cnn(CCN(C)C)c1 1135118425 MKNXZUABRVZJNW-UHFFFAOYSA-N 307.398 -0.586 30 20 DBED C=C(C)CN[C@H](C)C[C@@H](C)NC(=O)CN1C(=O)C(=O)N(C)C1=O 1135592101 CARLGYJTVTVVBI-GHMZBOCLSA-N 324.381 -0.144 30 20 DBED C#CCCN1CCCO[C@H](CNC(=O)C(C)(C)NC(=O)NC)C1 1150776891 BDZMEWDGGQASHK-CYBMUJFWSA-N 324.425 -0.076 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)[C@H](CC)NC(C)=O 1155387503 ASLGVBJPQFGRNU-OCCSQVGLSA-N 324.425 -0.523 30 20 DBED N#Cc1cc(C(=O)NCCCNCCN2C(=O)CCC2=O)c[nH]1 1156852977 SOYJXZFPDLGOME-UHFFFAOYSA-N 317.349 -0.255 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)[C@]2(C)CCNC2=O)C1=O 1166561251 XFHPYSMQEOMXQU-LRDDRELGSA-N 322.409 -0.605 30 20 DBED C#CCNC(=O)CNCCCC[C@H](C)NC(=O)[C@@H](C)CC(N)=O 1174672925 SBCBPBHQTUFFSS-STQMWFEESA-N 324.425 -0.488 30 20 DBED C=CCN(CC=C)C(=O)CNCCCNC(=O)Cn1cncn1 1175482404 DIYLBNXYGHCZPK-UHFFFAOYSA-N 320.397 -0.425 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)CCN1CCCC1=O 1176349644 MUDZSGVSYKFFFT-CYBMUJFWSA-N 324.425 -0.215 30 20 DBED C#CCNC(=O)CN1CCO[C@@H]2CCN(C(=O)CCOC)C[C@@H]21 1176876295 MOGLOIZDDIKLJD-UONOGXRCSA-N 323.393 -0.926 30 20 DBED C=CCO[C@H](C)C(=O)NCCCNCCN(C)S(C)(=O)=O 1177273562 SHDZUQHKRHNERJ-GFCCVEGCSA-N 321.443 -0.435 30 20 DBED CC#CCN[C@H]1CCN(C(=O)CCCS(N)(=O)=O)[C@H]1C 1179455110 SBRGXVGWLLVOLZ-RYUDHWBXSA-N 301.412 -0.343 30 20 DBED C=CCCN[C@H]1CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)[C@H]1C 1179667077 QGHHGCHCTGWTMG-DRZSPHRISA-N 310.398 -0.478 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](NCCS(C)(=O)=O)C1 1182496797 RGTKXIZXDUYVOE-GFCCVEGCSA-N 302.396 -0.739 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)CCCn2ccnn2)C1 1183193347 IVERDNSLWUQDBD-CYBMUJFWSA-N 320.397 -0.449 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CCCCN2C)C1 1183647443 HWBHFMUTPRPMGN-ZIAGYGMSSA-N 306.410 -0.589 30 20 DBED C=CCNC(=O)CN1C[C@@H]2CCN(C(=O)CN(C)C(C)=O)[C@@H]2C1 1186940709 UCKJODSGQCFTQW-UONOGXRCSA-N 322.409 -0.700 30 20 DBED N#CCNC(=O)CN1C[C@@H]2CCN(C(=O)Cc3cc[nH]n3)[C@@H]2C1 1187418732 PANFKLPDJFYYMF-WCQYABFASA-N 316.365 -0.875 30 20 DBED COCC#CCN1C[C@@H]2CCN(C(=O)[C@@H]3CCC(=O)NC3)[C@@H]2C1 1188413204 GSSPLCNCYGOUDK-QLFBSQMISA-N 319.405 -0.305 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@H]1CCN(C(=O)c2cn(C)nn2)C1 1189962558 FMQDJUJCYIKSJB-NEPJUHHUSA-N 318.381 -0.901 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CN(CC(=O)Nc2ccccc2)C[C@H]1O 1191855199 YMLYTSAIGIDQJQ-MRVWCRGKSA-N 316.361 -0.054 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)[C@@H](OC)C(C)C)C1 1192160827 FKQLYMWPTUAUGM-HIFRSBDPSA-N 309.410 -0.061 30 20 DBED C#CCCCCC(=O)N[C@@H]1CN(CCS(C)(=O)=O)C[C@H]1O 1192291424 ZBHRRSOJROXISG-CHWSQXEVSA-N 316.423 -0.614 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN([C@H](C)c2nnc(C)o2)C[C@H]1O 1192878510 GMCJRVGZGQRJLH-RAIGVLPGSA-N 322.365 -0.360 30 20 DBED CCN(CC)CC(=O)N1CC[C@@H](N(C)CC(=O)NCC#N)C1 1192958062 DRZJPTBDVBAFHO-CYBMUJFWSA-N 309.414 -0.499 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)CCn2c(C)csc2=O)C1 1193805993 XFUVYYUOIDYCNC-VXGBXAGGSA-N 309.391 -0.597 30 20 DBED C#CCC1(C(=O)N2CCCN(CC(=O)NC(N)=O)CC2)CCC1 1196138128 JHTWZCAWHJTDSC-UHFFFAOYSA-N 320.393 -0.091 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(CC(=O)NC(C)C)C[C@H]1C 1206963749 NGHDAVJFGSANTL-MGPQQGTHSA-N 309.410 -0.014 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)c2cnn(C)c2)C1 1207241963 JJQGPYJERZNGSO-CYBMUJFWSA-N 303.366 -0.636 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)C[C@@](C)(O)C=C)C1 1207949188 AKICBXGLZFWMIM-CJNGLKHVSA-N 307.394 -0.357 30 20 DBED C#CCN1C[C@@H](NC(=O)C(C)(C)NS(C)(=O)=O)[C@H](C)C1 1209282800 FONPCJPUMGSNKF-GHMZBOCLSA-N 301.412 -0.616 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)c2cc[nH]c2)[C@H](OC)C1 1212307117 VGCLTXCRJWBZLU-IACUBPJLSA-N 318.377 -0.418 30 20 DBED C=C(C)CN1C[C@@H](NC(=O)CCn2ncn(C)c2=O)[C@H](OC)C1 1213214053 XZSRXAFCFBVXBQ-CHWSQXEVSA-N 323.397 -0.637 30 20 DBED C=CCN1C[C@@H](NC(=O)CCS(=O)(=O)N(C)C)[C@H](OC)C1 1213900858 BLDZKXWXILQLGK-VXGBXAGGSA-N 319.427 -0.731 30 20 DBED C#CCOCCC(=O)N1C[C@@H](NCc2nnn(C)n2)[C@H](C)C1 1214608678 FJECPCWXAFQIEM-VXGBXAGGSA-N 306.370 -0.814 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)c2cncc(C#C)c2)C[C@H]1C 1215502200 XZDXBXUBEURHFT-CZUORRHYSA-N 324.384 -0.138 30 20 DBED C=CCCC(=O)N1CCO[C@@H]2CN(Cc3nnnn3C)C[C@@H]21 1217476125 VLXZDNKSSCYKEJ-NWDGAFQWSA-N 306.370 -0.412 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)C[C@H](C)NC(N)=O 1217886118 CEQKTSQUJWDGMT-RWMBFGLXSA-N 308.382 -0.632 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)C2=CCCC2)C1 1219455695 VRJZYIULGWJLRA-YUTCNCBUSA-N 307.394 -0.051 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)c2cc(C)nnc2C)C1 1219702476 PSKUMWONTOBVEL-CABCVRRESA-N 318.377 -0.482 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)CCCn2ccccc2=O)C1 1220138917 AAUFEQGBYHTKIZ-CABCVRRESA-N 317.389 -0.187 30 20 DBED CCc1cc(C(=O)N[C@@H]2CN(CC#CCOC)C[C@@H]2O)no1 1220791598 AAXCGBYFPCFXRQ-KGLIPLIRSA-N 307.350 -0.338 30 20 DBED C=CCO[C@H](C)C(=O)N1CCC[C@@H](NCc2nc(=O)n(C)[nH]2)C1 1222067996 OKVDIWLMGXEWDN-VXGBXAGGSA-N 323.397 -0.220 30 20 DBED N#CCNC(=O)CN1CCC(CNC(=O)Cc2ccon2)CC1 1222691607 PBYFBAGWUCFBFE-UHFFFAOYSA-N 319.365 -0.315 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1CCN(Cc2nnn(C)n2)CC1 1223026852 BEROGKFAAYDEAH-OAHLLOKOSA-N 322.413 -0.135 30 20 DBED C#CCN1CCC(CNC(=O)CN2C(=O)CN(C)C2=O)CC1 1225372222 LOQOVWWNNMKAOC-UHFFFAOYSA-N 306.366 -0.658 30 20 DBED COC(=O)[C@H]1C[C@H]1C(=O)NC1CCN(CC(=O)NCC#N)CC1 1226471973 WROYVRGGFKXGJX-NEPJUHHUSA-N 322.365 -0.984 30 20 DBED CCC(=O)N[C@@H](C)C(=O)NC1CCN(CC(=O)NCC#N)CC1 1227496799 SXRHYBHHAUNGTR-NSHDSACASA-N 323.397 -0.879 30 20 DBED CC(C)N(C)CC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCC#N 1230279578 DPUMWSCAJGZVOS-ZIAGYGMSSA-N 323.441 -0.017 30 20 DBED CCS(=O)(=O)NCCN1CC[C@@H]1CN(C)C(=O)[C@H](C)C#N 1231294456 YKOWDATZCPYKAJ-VXGBXAGGSA-N 316.427 -0.382 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N1CC[C@](O)(CC#N)C1 1261454213 BRPSVMOVMJNNLI-GFCCVEGCSA-N 301.368 -0.353 30 20 DBED N#CCNC(=O)COC(=O)c1csc(S(N)(=O)=O)c1 1318406804 TZWHZCGJQASXMN-UHFFFAOYSA-N 303.321 -0.808 30 20 DBED COCCOCCCCNS(=O)(=O)N1CCO[C@@H](C#N)C1 1321367714 YHHHYWZICUSWFZ-LBPRGKRZSA-N 321.399 -0.512 30 20 DBED N#C[C@@]1(F)CCN(C(=O)C(=O)N[C@@H]2CCc3n[nH]cc3C2)C1 1322176848 LQRJJAXBPXHGMP-YGRLFVJLSA-N 305.313 -0.153 30 20 DBED N#CCNC(=O)CNC(=O)c1cnc(O)c(Br)c1 1323226727 SMFZSHBCSHQLDE-UHFFFAOYSA-N 313.111 -0.081 30 20 DBED CC1(C#N)CCN(C(=O)C(=O)NC[C@H]2CC[C@H](C(N)=O)O2)CC1 1324294675 ZBEBMVFGLOSXQL-GHMZBOCLSA-N 322.365 -0.712 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N1CC[C@@H](NC(=O)NC2CC2)C1 1327259698 UTPUPVUSEJBKMZ-CMPLNLGQSA-N 324.381 -0.634 30 20 DBED C#C[C@H](NC(=O)C(=O)NCCOCC(F)F)[C@H]1CCCO1 1327465696 NSSTZHWBIBXTIJ-VHSXEESVSA-N 304.293 -0.319 30 20 DBED Cc1nc(CCNC(=O)C(=O)Nc2cc(C)c(C#N)cn2)n[nH]1 1327619858 WPXARNCKNYCIDX-UHFFFAOYSA-N 313.321 -0.014 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)NC1CCN(C(C)=O)CC1 1328230807 LTFGFAIXMJRDSH-UHFFFAOYSA-N 323.393 -0.388 30 20 DBED O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@@H](C(=O)O)C1CC1 1329962700 IOOCGTLLXDQUHW-KAMHRAILSA-N 307.306 -0.260 30 20 DBED CC1(C)C(=O)N[C@@H]1C1CCN(C(=O)Cn2cnc(C#N)n2)CC1 1330484548 TVXZLPCJGTUZCD-CYBMUJFWSA-N 316.365 -0.087 30 20 DBED CC(C)C[C@H]1CN(C)CCN1C(=O)C(=O)N1CCO[C@@H](C#N)C1 1335137199 NYIAMNKJNCYJAQ-KBPBESRZSA-N 322.409 -0.074 30 20 DBED C=CCn1c(CCOC)nnc1N1CCN2C(=O)NC[C@@H]2C1 1340389022 AHOUUBXFOSWRCT-LLVKDONJSA-N 306.370 -0.133 30 20 DBED COCCNC(=O)[C@@H](C#N)C(=O)c1cnc(C(=O)OC)cn1 1341902033 HBFNBLUISBLDFB-QMMMGPOBSA-N 306.278 -0.652 30 20 DBED O=C(CCN1C(=O)CCC1=O)NCc1ccc(C(=O)NO)cc1 1344128877 CCKFECXVARBJMA-UHFFFAOYSA-N 319.317 -0.039 30 20 DBED C#CCOCCNC(=O)C(=O)NC[C@H](C)N1CCC[C@H](C)C1 1346544521 UWSAKKHHBZKGLA-KBPBESRZSA-N 309.410 -0.011 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N[C@H]1C[C@@H](C(=O)OC)C1 1347639289 DZDFFOLYNLVKLQ-TXEJJXNPSA-N 310.350 -0.448 30 20 DBED N#CC[C@@]1(O)CCN(CC(=O)NCCCN2CCCC2=O)C1 1349111379 RXDCGCOKRZMKJC-OAHLLOKOSA-N 308.382 -0.534 30 20 DBED COC(=O)[C@@H]1CSCCN1C(=O)[C@H](C)n1cnc(C#N)n1 1361897241 KANYVPWKSWGKOH-IUCAKERBSA-N 309.351 -0.172 30 20 DBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nn1ccnn1 1363297887 KBPKHSALKSORLQ-SECBINFHSA-N 320.334 -0.413 30 20 DBED COC(=O)N[C@@H](C)C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N 1363562567 SRYYWAYJZYQYJA-QMMMGPOBSA-N 322.325 -0.199 30 20 DBED N#CC1(CNC(=O)NCC(=O)N2CCOCC2)CCOCC1 1364233638 LBHVWYWTUAZELG-UHFFFAOYSA-N 310.354 -0.535 30 20 DBED C=C(Cl)CN1CCN(CCNC(=O)CCNC(N)=O)CC1 1365965175 GHYMXESGVVMQSO-UHFFFAOYSA-N 317.821 -0.469 30 20 DBED C=C(Cl)CNC[C@H](O)CNC(=O)c1cc(=O)c(OC)c[nH]1 1379225231 DEGHXCQDCMOZQZ-VIFPVBQESA-N 315.757 -0.184 30 20 DBED CC(=O)NCC(=O)N[C@H]1[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@@H]21 1397330486 WTDNMZYEMRWFLZ-YABSGUDNSA-N 315.333 -0.791 30 20 DBED N#Cc1cc(C(=O)NC[C@H](O)CNC(=O)c2cscn2)c[nH]1 1399793708 JZXYXSNQGHFSNT-JTQLQIEISA-N 319.346 -0.136 30 20 DBED CCN(CCC#N)C(=O)CN1CC(CNC(=O)[C@H](O)C(C)C)C1 1400479138 OKLGHJAAFUKQDW-OAHLLOKOSA-N 324.425 -0.187 30 20 DBED COC(=O)NCC(=O)N1CCC[C@@H]1CN(C)C(=O)[C@H](C)C#N 1404040026 KYTAXQJOIIIQRU-GHMZBOCLSA-N 310.354 -0.049 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CCCN(C(=O)CS(C)(=O)=O)C1 1415363188 SJHGUTLSPOFMRQ-QWRGUYRKSA-N 315.395 -0.360 30 20 DBED C[C@H](C#N)C(=O)NC[C@@](C)(NC(=O)C1(NC(N)=O)CC1)C1CC1 1416347649 MHBVYIPZXMQJQY-YMTOWFKASA-N 321.381 -0.252 30 20 DBED C[C@@H](C#N)C(=O)N1CCCO[C@H](CNC(=O)Cc2nc[nH]n2)C1 1445260977 NXWPHBBKXFVHQW-WDEREUQCSA-N 320.353 -0.759 30 20 DBED C[C@@H](CNCc1cc(C#N)ccc1F)NC(=O)Cn1ncnn1 1445548475 QIEZADAQFCBOKK-JTQLQIEISA-N 317.328 -0.022 30 20 DBED COc1coc(CN2CC(O)(CNC(=O)[C@H](C)C#N)C2)cc1=O 1446830283 MEVZLXKFCWORGE-SNVBAGLBSA-N 321.333 -0.529 30 20 DBED C[C@@H](C#N)C(=O)NCCN1CCN(C(=O)[C@H]2CCCOC2)CC1 1446916771 BUKNITGWPCYKBK-KBPBESRZSA-N 322.409 -0.167 30 20 DBED CN(C)CCCC(=O)NC[C@@H](O)CNC(=O)c1cc(C#N)c[nH]1 1452336948 UVQDVYJLDHBMCN-GFCCVEGCSA-N 321.381 -0.565 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)C2=COCCO2)C1 1454065195 MGDRFPRPBAOEQV-IINYFYTJSA-N 309.322 -0.886 30 20 DBED C[C@H](C#N)C(=O)NCCN(C)C(=O)c1cnc2[nH]nnc2c1 1455436963 XQSFIIXIDKOALM-MRVPVSSYSA-N 301.310 -0.299 30 20 DBED COCC#CCN1CCC[C@@H](NC(=O)CCn2ccnn2)C1 1481524556 CQAHXASYESGCGK-CQSZACIVSA-N 305.382 -0.101 30 20 DBED C[C@H](C#N)C(=O)N(C)CCN(C)C(=O)CCn1cnccc1=O 1533040410 ITAWONUXOAYWHP-GFCCVEGCSA-N 319.365 -0.290 30 20 DBED C[C@H](C#N)C(=O)N1CCN(c2cncc(-c3nn[nH]n3)n2)CC1 1573571018 WXFGZEQLBRNIDK-SECBINFHSA-N 313.325 -0.535 30 20 DBED C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCN 1574666645 CFMXLUZUKBVSFI-UHFFFAOYSA-N 320.397 -0.441 30 20 DBED CC#CCCCC(=O)N(C)C[C@@H](O)CNCCc1cnn[nH]1 1575118374 WVNAKJJZVTXEMU-AWEZNQCLSA-N 307.398 -0.050 30 20 DBED CNC[C@H](O)[C@@H](C)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 1578640185 GDCDKGLMOOJVDU-OCCSQVGLSA-N 317.393 -0.182 30 20 DBED Cn1c(=O)[nH]c(NCc2ccc(-c3nn[nH]n3)cc2)c(C#N)c1=O 1581747226 DKUOZMITARKBQZ-UHFFFAOYSA-N 324.304 -0.263 30 20 DBED C#CCCCNC(=O)CCn1cc(-c2nn[nH]n2)c(O)nc1=O 1588345372 BEPQIAVBHJHDJR-UHFFFAOYSA-N 317.309 -0.951 30 20 DBED C#CCNCC(=O)Nc1ccc(CC(=O)NCC(=O)O)cc1 1588485230 JGNIJPBNANVTBJ-UHFFFAOYSA-N 303.318 -0.409 30 20 DBED CC(C)(C)OC(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C#N)CO 1590236310 BIOZWLRIGGSNON-SFYZADRCSA-N 301.299 -0.645 30 20 DBED N#Cc1c(COC(=O)CN2CC(=O)NC2=O)cccc1C(=O)O 1601083681 NNNJWHDSLAOWOI-UHFFFAOYSA-N 317.257 -0.149 30 20 DBED C#CCCCNC(=O)C(=O)NCc1nc(-c2nn[nH]n2)cs1 1602711148 KDPPPLZCJPTVOJ-UHFFFAOYSA-N 319.350 -0.531 30 20 DBED C=C(CC)CNC(=O)C(=O)N1CC[C@@]2(CC(C(=O)O)=NO2)C1 1602774814 XZAFFRRKHAEDLC-CQSZACIVSA-N 309.322 -0.099 30 20 DBED COC(=O)C1(C#N)CCN(c2cncc(-c3nn[nH]n3)n2)CC1 1604916812 TUAVHECXTMSZKB-UHFFFAOYSA-N 314.309 -0.060 30 20 DBED N#CCN1CCC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1606349345 AGBSSMBQNSTLAX-VIFPVBQESA-N 300.326 -0.087 30 20 DBED N#Cc1ncc(-n2c(Cl)cncc2=O)nc1-c1nn[nH]n1 1606397628 WATCFTVFWNORQP-UHFFFAOYSA-N 301.657 -0.272 30 20 DBED C=CCN1CCN(CCCNC(=O)[C@H]2CCCNC2=O)CC1 1752344252 OSYQIMLLKZFHCD-AWEZNQCLSA-N 308.426 -0.178 30 20 DBED Cc1nc(C(=O)NC[C@H](NCC#N)C2CC2)nn1-c1nc[nH]n1 1752472456 JHYUGQFYUWCJHS-JTQLQIEISA-N 315.341 -0.685 30 20 DBED CCCNC(=O)NC(=O)CN[C@@H](C)CNC(=O)C#CC(C)C 1752869872 ORZIRCREPBKFSA-LBPRGKRZSA-N 310.398 -0.024 30 20 DBED C=CCNC(=O)NC(=O)CN1CC(NC(=O)[C@@H]2CC23CCC3)C1 1753388352 AWDAJBLRKYCGCL-LBPRGKRZSA-N 320.393 -0.011 30 20 DBED CNC(=O)[C@@H](C)N1CCO[C@@H](CNC(=O)CSCC#N)C1 1753646607 UNHDBUMFVCOYGT-MNOVXSKESA-N 314.411 -0.805 30 20 DBED COCC#CCNC[C@@H](O)CNC(=O)[C@]12CCC[C@H]1OCC2 1753919561 YQCZXTFMQRQQJG-FMKPAKJESA-N 310.394 -0.338 30 20 DBED CCN1C[C@H](C(=O)N[C@@H](C)CCNCC#CCOC)CC1=O 1753981757 FPRCIUYZCUJLCN-UONOGXRCSA-N 309.410 -0.011 30 20 DBED C=CCNC(=O)[C@@H](C)NCCN(CC)C(=O)[C@@H]1CCCNC1=O 1754050724 JIFDCCLZABMQMN-CHWSQXEVSA-N 324.425 -0.359 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H](C)CNCc1nnnn1C1CC1 1754267626 QLHBIBQLDNYZFX-WDEREUQCSA-N 306.370 -0.359 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)CCCNCC(=O)N1CCC1 1754376732 MOEVNZYYXCZEKI-HNNXBMFYSA-N 320.437 -0.246 30 20 DBED C=CCNC(=O)CNC[C@H](NC(=O)[C@H]1CCC(=O)NC1)C1CC1 1754445414 RMTGSBHIBQNKHH-STQMWFEESA-N 322.409 -0.701 30 20 DBED C#CCCNC[C@@H](NC(=O)Cn1nc(C)n(C)c1=O)C1CC1 1754459167 RJVPPTFBKKURTB-CYBMUJFWSA-N 305.382 -0.602 30 20 DBED COCC#CCN1CC[C@@H]1CNC(=O)c1coc(C(N)=O)c1 1754503615 XQEXVORHMLPGNM-GFCCVEGCSA-N 305.334 -0.168 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C1CN([C@@H]2CCN(CC)C2=O)C1 1754575700 YTWDOAOVUGXOCU-GXTWGEPZSA-N 307.394 -0.212 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@]1(O)CCN(CCn2cncn2)C1 1754748471 JQFNRECESQKWAI-CABCVRRESA-N 323.397 -0.842 30 20 DBED C#CCNC(=O)CN[C@@H](C)[C@H](C)NC(=O)C12CCCN1CCC2 1755241800 HXADRMOWLREAPP-KBPBESRZSA-N 320.437 -0.153 30 20 DBED C[C@H](NC(=O)C(C)(C)C)C(=O)NC1(CCO)CN(CC#N)C1 1755335642 PLHFKYKREZFJGV-NSHDSACASA-N 310.398 -0.386 30 20 DBED N#CCN1CC(CCO)(NC(=O)CNC(=O)CC2CCCC2)C1 1755336637 BIKJDZOOUIDEJU-UHFFFAOYSA-N 322.409 -0.241 30 20 DBED C[C@H](NCC#N)[C@@H]1CN(C(=O)COCc2nccn2C)CCO1 1755443853 HWLFVFXQVUZLRY-STQMWFEESA-N 321.381 -0.334 30 20 DBED C#CCNC(=O)CNCCC[C@@H](C)NC(=O)c1c[nH]nc1C 1755508983 CNACVCZSVRGQGV-LLVKDONJSA-N 305.382 -0.044 30 20 DBED C=CCn1cc(C(=O)N(C)C[C@@H](C)N[C@@H]2CCNC2=O)nn1 1755608765 IQAXBCZSHXACBL-GHMZBOCLSA-N 306.370 -0.597 30 20 DBED C[C@@H](C#N)C(=O)NCCOCCN(C)C(=O)[C@@H]1CC(=O)N(C)C1 1756381299 CUAPOAWVTDOZSL-NWDGAFQWSA-N 324.381 -0.784 30 20 DBED C=CCN(CC=C)S(=O)(=O)N1C[C@H]2COC[C@@]2(C(=O)O)C1 1776177419 VOTFOAGHOFBTOS-AAEUAGOBSA-N 316.379 -0.062 30 20 DBED CN(C)CCN(CC(=O)O)S(=O)(=O)c1cc(C#N)ccn1 1777031810 BPXGHOVTNKMUIG-UHFFFAOYSA-N 312.351 -0.410 30 20 DBED COCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)S)C2)C1 1783890030 NSTVBDPKPKCCDK-MFKMUULPSA-N 302.396 -0.219 30 20 DBED C=CC[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(O)O 1792800109 BAABARQDGCXGKP-YFKTTZPYSA-N 312.366 -0.901 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c(C)c1F 1794478044 TUYIYXSBGPVLJJ-DDFAGTSDSA-N 320.324 -0.306 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(=O)oc1 1794996185 APCSQJXHXKLRRY-JJLQDPRZSA-N 316.313 -0.524 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccncc1)C2 1800453759 MKBJIRYJLHQCTB-XOIINTDNSA-N 313.357 -0.153 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1cnc[nH]1)C2 1800454987 WWRWDUWEFPMDED-UEWSEVFDSA-N 314.345 -0.354 30 20 DBED C#CC(=O)N1CC[C@@H](CNC(=O)C(O)O)[C@H]1c1cccnc1 1802927097 VNDCEDHNRQAZFX-WCQYABFASA-N 303.318 -0.969 30 20 DBED C[C@H](NC=O)C(=O)N1CCCC12CN(C(=O)C1(C#N)CC1)C2 1845177631 QLJXNAQTRXUNLT-NSHDSACASA-N 304.350 -0.372 30 20 DBED N#CCCCS(=O)(=O)NCCCN1CCC[C@H](C(N)=O)C1 111337733 YBFQYVLBXBTVOP-LBPRGKRZSA-N 316.427 -0.203 30 20 DBED N#Cc1ccc(CS(=O)(=O)NCC(=O)N2CCNCC2)cc1 315147588 XVSJVTLDSFKIPP-UHFFFAOYSA-N 322.390 -0.591 30 20 DBED C/N=C(/O)NC1CN(/C(O)=N/C[C@@H]2CCCN2CCOC)C1 328690160 IHJIRXLWCSVBBG-LBPRGKRZSA-N 313.402 -0.171 30 20 DBED CN(CC(O)=N/C(O)=N/[C@@H]1CCS(=O)(=O)C1)C1CC(O)C1 329497432 GIERGCRRUXMJPP-XNWIYYODSA-N 319.383 -0.501 30 20 DBED C[C@H](N[C@H]1CCC[C@H]1C#N)C(=O)c1c(N)n(C)c(=O)n(C)c1=O 330803420 BBZYIUNGHKHSJY-GUBZILKMSA-N 319.365 -0.481 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N1CCN(C(=O)C2CC2)C1 333827064 IQOXNGULGMGYJO-SNVBAGLBSA-N 300.384 -0.023 30 20 DBED C[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1cncc(C#N)c1 336834911 IQTJQSITVYCKGO-VIFPVBQESA-N 315.376 -0.239 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N[C@@H]2CCN3CCCC[C@H]23)CCO1 336919396 PCPGPPVZFHXGRD-JHJVBQTASA-N 314.411 -0.328 30 20 DBED CCCN(CC(=O)NC)S(=O)(=O)N(CCC#N)CCOC 336929300 ZVAXSRWHPJGWQU-UHFFFAOYSA-N 320.415 -0.449 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N1CC[C@@H](S(C)(=O)=O)C1 337763836 LNRISXZCJBPQQW-VHSXEESVSA-N 309.413 -0.416 30 20 DBED COc1cc(C(=O)NCC(=O)NCC#N)cc2c1OCCO2 344170286 WYMVCZISIJNBMR-UHFFFAOYSA-N 305.290 -0.164 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC[C@@]2(C)CCCO2)C1=O 347160893 IJMNGAYIQXFMGY-BLLLJJGKSA-N 323.393 -0.083 30 20 DBED CS(=O)(=O)NCCNC(=O)[C@H](C#N)Cc1ccc(C#N)cc1 348161508 WRRXIYOISIXHHW-ZDUSSCGKSA-N 320.374 -0.094 30 20 DBED N#Cc1cccc(CNC(=O)CS(=O)(=O)c2n[nH]c(O)n2)c1 350239723 JOTQFEWWPWEJPC-UHFFFAOYSA-N 321.318 -0.528 30 20 DBED N#C[C@@H]1CN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CCO1 352373530 LGMZTNIPIPYWLM-MRVPVSSYSA-N 312.307 -0.029 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)N[C@@H]2CC[S@@](=O)C2)cc1 354000972 KXRWVHKZRXTLGP-XUSGNXJCSA-N 305.359 -0.075 30 20 DBED C#CCNC(=O)C1CCN(C(=O)[C@H]2CN(CC)CCO2)CC1 365748473 HPOCNSVBIBRRIM-CQSZACIVSA-N 307.394 -0.305 30 20 DBED C=CCn1cc(CNC(=O)N2CC(=O)N(CCOC)C2)nn1 425567979 VGAKBUYOFBNYFQ-UHFFFAOYSA-N 308.342 -0.578 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H](C)[C@@H]2CN)C1=O 429136322 QBLJPNPOWODSQY-MNOVXSKESA-N 322.365 -0.451 30 20 DBED C#CCN1CCN(C(=O)CN2CCC[C@H](OCCO)C2)CC1 491037242 CJQNKNJSHHQNNQ-HNNXBMFYSA-N 309.410 -0.763 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)COCC(F)F)CC1 527745322 OGRPYRQAKGZSLG-UHFFFAOYSA-N 305.325 -0.286 30 20 DBED CCC[C@@H](C#N)NC(=O)CN1CCN(S(C)(=O)=O)CC1 531588193 MLDGMHIDOSKZIJ-NSHDSACASA-N 302.400 -0.628 30 20 DBED CN(CCC#N)S(=O)(=O)N[C@H]1CCCN(CCCO)C1 594776742 BOJXKJFVWUBVMQ-LBPRGKRZSA-N 304.416 -0.487 30 20 DBED COC(=O)C[C@@H](O)CNC(=O)Nc1cc(C)n(CCC#N)n1 599764828 JZFCIEPEBPLOIE-SNVBAGLBSA-N 309.326 0.151 30 20 DBED N#CCCN1CCN(C(=O)C(=O)N[C@@H]2CCN(C3CC3)C2)CC1 602238121 GVFDKPIWBSCERH-CYBMUJFWSA-N 319.409 -0.603 30 20 DBED C=C[C@H](O)C(=O)N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 613961647 JKHIXNOPNPQQBB-NEPJUHHUSA-N 320.411 -0.568 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC[C@H](C)C(=O)O)C1=O 656001121 YQPFYOQRQBMPHG-UWVGGRQHSA-N 311.338 -0.931 30 20 DBED N#Cc1cc(F)cc(S(=O)(=O)NC[C@@H](O)CC(=O)O)c1 718534285 SUVAIMXTRJKDFR-VIFPVBQESA-N 302.283 -0.189 30 20 DBED C#CCNC(=O)COC(=O)Cc1ccc(S(N)(=O)=O)cc1 728366846 LFFMXOPDRDSYCW-UHFFFAOYSA-N 310.331 -0.831 30 20 DBED COCCN(CCC(=O)OC)S(=O)(=O)N(C)CCC#N 733316070 AALCPMPGNPKKKJ-UHFFFAOYSA-N 307.372 -0.412 30 20 DBED C#CCOCCNC(=O)Nc1nc(CS(C)(=O)=O)no1 765255356 LMAKVPDAYMXPHR-UHFFFAOYSA-N 302.312 -0.615 30 20 DBED C=CCS(=O)(=O)CCNC(=O)c1ccn(CCOC)n1 784160084 FNKUHEUTQGYNDK-UHFFFAOYSA-N 301.368 -0.140 30 20 DBED N#Cc1ccc(C(=O)N2CCCN(CC(N)=O)CC2)cc1O 785409163 YICSFYLOGMBTLS-UHFFFAOYSA-N 302.334 -0.103 30 20 DBED N#CCCn1ccc(NC(=O)NC[C@@H]2CC(C(N)=O)=NO2)n1 789838692 GJNPELCWPCECLJ-QMMMGPOBSA-N 305.298 -0.452 30 20 DBED Cn1c(C=NNc2ncncc2F)nc2c1c(O)nc(=O)n2C 793210107 GJVXIJNXRPRZNW-UHFFFAOYSA-N 318.272 -0.252 30 20 DBED COC(=O)c1cc(C=NNC(=S)NCC(N)=O)n(C)c1C 800812245 ABCPTIKBHBZMGQ-UHFFFAOYSA-N 311.367 -0.597 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCC(CO)(OC)CC1)[C@H]1CCCO1 809312088 XRTSLUCTWKVQHW-QWHCGFSZSA-N 324.377 -0.717 30 20 DBED C#CCOCCNC(=O)C(=O)Nc1ccc2c(c1)nnn2C 832335534 DYFISCNLJUIAAP-UHFFFAOYSA-N 301.306 -0.327 30 20 DBED CCONC(=O)CNC(=O)NCCNc1ccc(C#N)cn1 845550966 NCGNHFCJWVSCDO-UHFFFAOYSA-N 306.326 -0.268 30 20 DBED CCN(CCC#N)C(=O)COC(=O)Cn1nc(C)n(C)c1=O 848845640 ZZWXOIJCPBLUCM-UHFFFAOYSA-N 309.326 -0.804 30 20 DBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1C[C@H](O)C1 856393294 PFMKYXOUKXXADI-KYZUINATSA-N 309.347 -0.635 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)CCN1C(=O)NC(C)(C)C1=O 857270189 RSQMWDJGOLVBPV-VIFPVBQESA-N 309.322 -0.612 30 20 DBED Cn1cc(N2C[C@@H](C(=O)N[C@H]3CCCN(O)C3=O)CC2=O)cn1 861827306 HSMLZIYPFLWKCE-ONGXEEELSA-N 321.337 -0.731 30 20 DBED CCn1nc(C)c(C=NN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C=C[C@H]3O2)n1 872427097 BMEFCIZRXDDZII-DDHJBXDOSA-N 301.306 -0.121 30 20 DBED CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)NCC#CCO 923784830 MJPMQNNGNLIPEW-NSHDSACASA-N 303.384 -0.905 30 20 DBED COc1c(O)nc(O)nc1C(=O)N1C[C@@H](NCC#N)[C@H](C)C1 939525724 VYXCQQDLMGMNFP-HTQZYQBOSA-N 307.310 -0.530 30 20 DBED Cc1nnc(CN2CC(N3CCN(C(=O)[C@H](C)C#N)CC3)C2)o1 941348071 HNRSMIIBOQKASL-LLVKDONJSA-N 318.381 -0.134 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)c3nc[nH]n3)C2)nc1 941881715 IAOWEUBUPWMSAW-LLVKDONJSA-N 310.317 -0.175 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CN2CC(=O)NC2=O)[C@H](C)C1 943676830 WDJXWTNKRGYSNX-VXGBXAGGSA-N 306.366 -0.612 30 20 DBED CO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1NC(=O)c1[nH]nnc1C 944346213 QFNJZMKKZHOVDO-FXBDTBDDSA-N 306.326 -0.772 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)c2csc(O)n2)C1 944737582 YLIGTFPSQPVHKH-BDAKNGLRSA-N 324.362 -0.034 30 20 DBED CO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)Cc1cnc[nH]1 946972630 MAXCIGCRODTMJA-ZIAGYGMSSA-N 316.361 -0.292 30 20 DBED C#CCN1CCOC2(CCN(C(=O)[C@@H]3COCCO3)CC2)C1 949304761 JNHBDDPWVOVHNA-AWEZNQCLSA-N 308.378 -0.272 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2CCN2C(=O)c2ncn(C)n2)cn1 951376881 LAMWWFHGKHDFNK-ZDUSSCGKSA-N 324.344 -0.164 30 20 DBED Cn1c(C(=O)NC[C@@H]2CCN2C(=O)C#CC2CC2)cnc1O 951464660 CCOHNPLZRXGPHU-NSHDSACASA-N 302.334 -0.130 30 20 DBED Cn1nnc(C(=O)NC[C@H]2CCN2C(=O)c2cc(C#N)c[nH]2)n1 951620543 KUHUGXJGDVAPGT-SECBINFHSA-N 314.309 -0.946 30 20 DBED C[C@H](C#N)C(=O)N1CC(N(C)C(=O)[C@H]2CCCCC(=O)N2)C1 955270492 RQCOMZSAIZERMM-ZYHUDNBSSA-N 306.366 -0.126 30 20 DBED COc1ccc(C(=O)N(C)C2CN(C(=O)[C@@H](C)C#N)C2)nn1 955300136 PCHJQPIQMJMVFS-VIFPVBQESA-N 303.322 -0.072 30 20 DBED COCCn1ccc(C(=O)NC[C@H]2CN(CC#N)C[C@@H]2O)n1 958255026 VCRWLKGCLQYCEK-AAEUAGOBSA-N 307.354 -0.924 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](NC(=O)C2CC(=O)NC(=O)C2)[C@H](C)C1 958367797 BDLIABXADBBHML-FXPVBKGRSA-N 320.349 -0.838 30 20 DBED CN1CC[C@H](N2C[C@@H]3C(NC(=O)c4cc(C#N)c[nH]4)[C@H]3C2)C1=O 958505603 ZAVFBHHWJPHEBA-GVXVVHGQSA-N 313.361 -0.223 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@H](NC(=O)C2=COCCO2)C1 961356169 DBSODRITZHFVBT-MNOVXSKESA-N 310.350 -0.225 30 20 DBED N#Cc1ccc(CN2C[C@@H]3C(NC(=O)C(N)=O)[C@H]3C2)cc1F 961633719 BFFLIAMIYXJDBS-QWRGUYRKSA-N 302.309 -0.271 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CN(C(=O)c3ncn(C)n3)CCO2)C1 965367719 BKGRATWPGIEYDZ-SNVBAGLBSA-N 318.337 -0.972 30 20 DBED C[C@H](C#N)C(=O)N1CCOC2(CN(C(=O)c3ccn(C)n3)C2)C1 965466750 PVPGWPAEQFAYHX-LLVKDONJSA-N 317.349 -0.367 30 20 DBED C[C@H](C#N)C(=O)N1CC2(C[C@@H](NC(=O)c3ncccn3)CO2)C1 965792908 OXIVMSNTJJWILB-GHMZBOCLSA-N 315.333 -0.264 30 20 DBED CCN(C(=O)c1c[nH]c(C#N)c1)C1CN(C(=O)c2cnn[nH]2)C1 967896155 CZNSPMYEOWZADA-UHFFFAOYSA-N 313.321 -0.009 30 20 DBED Cc1nn(C)c(C)c1C(=O)N[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1O 969198456 ICLCBNYVISAKQZ-FXAINCCUSA-N 319.365 -0.502 30 20 DBED C[C@@]1(C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2O)CCOC1 970098496 BFGIUOOJEDLCBM-DVOMOZLQSA-N 306.362 -0.486 30 20 DBED C=CCN1C[C@H]2CC[C@H]1CN2C(=O)c1cnc(O)n(C)c1=O 971675622 JSLCZOKNALBLCO-WDEREUQCSA-N 304.350 -0.039 30 20 DBED C=CCN1C[C@H]2CC[C@H]1CN2C(=O)c1cn(C)c(=O)nc1O 972106792 RGDPDIRERMSNGT-WDEREUQCSA-N 304.350 -0.039 30 20 DBED C=C(C)CN(C)[C@H]1CCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)C1 972470899 AVNOWMCBHZIWGS-NSHDSACASA-N 322.365 -0.484 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)c3nnn(C)n3)C2)cc1 974351168 UCRFEOSQYFRDNI-BETUJISGSA-N 324.344 -0.118 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)C(N)=O)[C@@H]2C1 974957933 BNZZBNWWISMNQV-LPWJVIDDSA-N 321.377 -0.488 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)C[C@@H]3COC(=O)C3)[C@H]2C1 976372221 XMXOHLPZSLHIBE-TUYISWAISA-N 305.334 -0.328 30 20 DBED C=CCn1cc(C(=O)NCC2[C@H]3CN(CC(=O)NC)C[C@H]23)nn1 978818250 OSYVUQBHQIIVJR-VXGBXAGGSA-N 318.381 -0.882 30 20 DBED C#CCCN1CCCC2(C1)CN(C(=O)CN1CCNC(=O)C1)C2 981933046 IUKZTDQVJIUSAV-UHFFFAOYSA-N 318.421 -0.634 30 20 DBED N#CCN1CCCC2(C1)CN(C(=O)Cn1c(O)nnc1O)C2 982131319 XYPHTYOPFVSZLR-UHFFFAOYSA-N 306.326 -0.863 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](CNC(=O)c2cnn(C)c2N)C1 983213895 GKUHJAFTNMUJSC-VHSXEESVSA-N 304.354 -0.260 30 20 DBED C[C@@H]1[C@@H](NC(=O)c2ncn(C)n2)CCN1C(=O)C#CC1CC1 987825572 ZVIKSGSGVUAEIY-PWSUYJOCSA-N 301.350 -0.052 30 20 DBED C=C(C)CN[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)CC1(C)C 996585650 QHDYUFMXNQEOHU-LLVKDONJSA-N 308.382 -0.059 30 20 DBED CN1C(=O)CC[C@H]1CC(=O)NC1CN(C(=O)C#CC2CC2)C1 997365617 WSVPTHYBOUJODA-ZDUSSCGKSA-N 303.362 -0.262 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC(NC(=O)[C@@]3(F)CCOC3)C2)c1 998134414 IJUNJPXWTDGWRW-CQSZACIVSA-N 306.297 -0.044 30 20 DBED C#Cc1cncc(C(=O)NC2CN(C(=O)[C@H]3COCCO3)C2)c1 999302013 GPDZPGLODDIXJI-CQSZACIVSA-N 315.329 -0.581 30 20 DBED C=CCNC1CC(N(C)C(=O)CN2CCS(=O)(=O)CC2)C1 999827417 GIZGQFLHIRGYAJ-UHFFFAOYSA-N 315.439 -0.518 30 20 DBED C#CCN1CC[C@H](n2cc(CNC(=O)c3csnn3)nn2)C1 999999795 FORNHXMNLLGEJD-NSHDSACASA-N 317.378 -0.060 30 20 DBED C=CCN[C@@H]1CCCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)C1 1000368769 LNDNXJDUMDDGBV-SNVBAGLBSA-N 308.338 -0.826 30 20 DBED C=CCN1CC[C@@H](N2CC[C@H](NC(=O)Cc3cc[nH]n3)C2)C1=O 1010412783 DVMWQYSOSXDPBW-UONOGXRCSA-N 317.393 -0.070 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2CC23CCN(CC(N)=O)CC3)[nH]1 1016577766 ZOZILNAWERBSNL-LBPRGKRZSA-N 301.350 -0.044 30 20 DBED C#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1Cc2cncn2C(=O)N1 1017757723 FZHJCNGYPMXHSD-SCRDCRAPSA-N 313.361 -0.326 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCN(C(=O)CCn3cncn3)C2)C1 1019361814 RZKQUPYMDSVVMH-GFCCVEGCSA-N 316.365 -0.111 30 20 DBED NC(=O)CC(=O)N1CC[C@H]2OCCN(C(=O)C#CC3CC3)[C@H]2C1 1019864660 TXOJPUPOXZRNNZ-QWHCGFSZSA-N 319.361 -0.897 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)c2c[nH]c(C(N)=O)c2)[C@@H]1C 1020535163 AURIGHVHXHLBQD-QXEWZRGKSA-N 317.349 -0.008 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)C3(C(N)=O)CC3)C[C@H]2O)C1 1025542154 LKLYGAFJJFHTCA-GHMZBOCLSA-N 321.377 -0.704 30 20 DBED CN1CC[C@H](C(=O)NC2CCC(NCC#N)CC2)S1(=O)=O 1026575806 JTBNVVNSTRINKG-HTAVTVPLSA-N 314.411 -0.439 30 20 DBED C#Cc1cncc(C(=O)NC[C@H]2CCN([C@@H](C)C(N)=O)C2)c1 1028792624 KNXJLMIMKNXEHR-WCQYABFASA-N 300.362 -0.012 30 20 DBED C=CCCN1[C@H]2CC[C@H]1CN(C(=O)CN1CC(=O)NC1=O)C2 1029516721 FUGZLXIVCGXLAO-RYUDHWBXSA-N 306.366 -0.211 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN(Cc2cnns2)C1 1030464438 SUMXQIHUUKPKGF-ZDUSSCGKSA-N 305.407 -0.064 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)c3ccc(O)nc3)C2)C1=O 1031344767 YFICZEPQYLXZPM-CYBMUJFWSA-N 316.361 -0.012 30 20 DBED C=CCN1CC[C@H](N2CC(CNC(=O)c3ccnn3C)C2)C1=O 1031576258 CUVQJZYZXCISSS-AWEZNQCLSA-N 317.393 -0.131 30 20 DBED C#CCN1CCC(C(=O)N2C[C@@H]3C[C@H]2CN3C[C@@H](C)O)CC1 1032800468 KCXPNPLLSBPPMW-KBMXLJTQSA-N 305.422 -0.003 30 20 DBED N#CCN1CCCC[C@H](NC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 1034321002 BZAIFUDVWALCIH-AAEUAGOBSA-N 316.365 -0.140 30 20 DBED C#CCN1CCO[C@H](CNC(=O)c2ccc3nn[nH]c3n2)C1 1035391236 MJIYZVYFNYXBNO-SNVBAGLBSA-N 300.322 -0.583 30 20 DBED N#CCN1CCO[C@H](CNC(=O)c2ccc3nnc(O)n3c2)C1 1035546221 ATINJBRLFHMXFV-LLVKDONJSA-N 316.321 -0.611 30 20 DBED C#CCN1CCO[C@H](CNC(=O)c2cn(CC3CC3)nn2)C1 1035558183 AAFJXZXOOXDUGH-CYBMUJFWSA-N 303.366 -0.248 30 20 DBED C=CCN[C@H]1CCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)C[C@@H]1C 1036205829 YBZMPZNNZBFGCM-QWRGUYRKSA-N 322.365 -0.580 30 20 DBED Cc1nn(CC(=O)N2CC[C@@H]3[C@@H](CCN3CC#N)C2)c(=O)n1C 1036882545 NJPMSKZBAHAWQV-QWHCGFSZSA-N 318.381 -0.663 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2[C@H]3C[C@H]2N(Cc2nc(O)n[nH]2)C3)cn1 1037679377 KEURHDXIJLZMFS-SUHUHFCYSA-N 324.344 -0.111 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2[C@H]3C[C@H]2N(Cc2nc(O)n[nH]2)C3)nc1 1037690196 NFGDNGZNPQDWSE-ZKYQVNSYSA-N 324.344 -0.111 30 20 DBED C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CN1CC(=O)N(C)C1=O 1039458980 XEKYNUXJSZTLGG-OLZOCXBDSA-N 318.377 -0.421 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@]1(O)CCN(C(=O)C2CCC2)C1 1039720772 DVLAGAKOHJPGMG-BLLLJJGKSA-N 308.378 -0.096 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)C2(CF)CC2)C1 1042052268 HYKSSLYXJLIZIG-UHFFFAOYSA-N 300.330 -0.372 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)[C@]2(C)CCNC2=O)C1 1042801709 RADQSLAVQODAGP-OAHLLOKOSA-N 321.377 -0.994 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCCNC2=O)C1 1042801789 UGKPLHTVSKXGNZ-GFCCVEGCSA-N 321.377 -0.994 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)[C@@H](OC)C2CC2)C1 1042842513 KQNQMZXUXGACPQ-YPMHNXCESA-N 324.377 -0.861 30 20 DBED CCc1nocc1C(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042960377 IXRKNOYAKCOHSA-UHFFFAOYSA-N 317.345 -0.047 30 20 DBED C=C(C)CCC(=O)NCC1(O)CN(C(=O)C2(C(=O)NC)CC2)C1 1043309980 AVXFFDIYSOCCHU-UHFFFAOYSA-N 323.393 -0.442 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)[C@@H]3COCCO3)C2)nc1 1043860963 HPYJWBFIUWLMIZ-AGIUHOORSA-N 318.333 -0.966 30 20 DBED C[C@@H]1C[C@H](NCC#N)CCN1C(=O)CN1C(=O)NC(C)(C)C1=O 1044844533 LMYVWLMVJTXNKF-GHMZBOCLSA-N 321.381 -0.191 30 20 DBED C=C[C@H](C)[C@H](C)C(=O)NCC1(O)CN(C(=O)c2cn(C)nn2)C1 1044980273 LKRDBONWGGGASR-QWRGUYRKSA-N 321.381 -0.424 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)Cc2cnoc2)C1 1045110680 UJUNKEBFPLKGJS-UHFFFAOYSA-N 305.334 -0.434 30 20 DBED CC(C)n1nccc1C(=O)N1CC(O)(CNC(=O)[C@H](C)C#N)C1 1045552306 RYTPHODXVVUQIH-LLVKDONJSA-N 319.365 -0.073 30 20 DBED C#CCN1CC[C@H](N2CCN(C(=O)[C@H]3OCCO[C@H]3C)CC2)C1 1046036350 HUOLWQGBNBZXMH-JYJNAYRXSA-N 321.421 -0.358 30 20 DBED C=C(C)CN1C[C@H](O)[C@@H](N(C)C(=O)c2cc(=O)n(C)cn2)C1 1047413254 DHMMIAIPSNNHQL-STQMWFEESA-N 306.366 -0.527 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCCN2C(N)=O)C1 1047592602 XQQNKVQYRFXNIF-RDBSUJKOSA-N 322.409 -0.554 30 20 DBED C=CCOCC(=O)N(C)[C@H]1CN(C(=O)[C@H](C)COC)C[C@@H]1O 1048554639 BZKUADNVFPSWTQ-AGIUHOORSA-N 314.382 -0.498 30 20 DBED CC(=O)N1CCOC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CCN2CC#N 1049908933 OBZKOZSFBVLRSU-RBSFLKMASA-N 320.393 -0.177 30 20 DBED N#CCN1CCN([C@H]2CCN(C(=O)[C@H]3CCCC(=O)N3)C2)CC1 1052041101 RUHPDCLSRMMXGF-UONOGXRCSA-N 319.409 -0.603 30 20 DBED C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1CNC(=O)c1cnn[nH]1 1052045320 QLOPBVRRKOZJQK-NXEZZACHSA-N 322.394 -0.114 30 20 DBED C=CCN1CCN([C@H]2CCN(C(=O)[C@@H]3CCC(=O)N3)C2)CC1 1052110491 RMINXNAGMPYKSO-KBPBESRZSA-N 306.410 -0.331 30 20 DBED C[C@H](C(N)=O)N1CC2(C[C@H](NC(=O)c3cc(C#N)c[nH]3)CO2)C1 1053766746 UVJMIDBSIZBXIJ-KOLCDFICSA-N 317.349 -0.667 30 20 DBED N#Cc1nccnc1N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cn1nccn1 1055114775 XXZFTUZWRJNGGF-MDZLAQPJSA-N 324.348 -0.134 30 20 DBED Cn1ncc(C(=O)NC2[C@@H]3CN(c4cncc(C#N)n4)C[C@@H]23)c1N 1056176482 PPNQAWBAASOQEK-GHMZBOCLSA-N 324.348 -0.471 30 20 DBED N#CCSCC(=O)N1CC[C@H]2[C@H]1CCCN2C(=O)CC(N)=O 1056326162 YALUKKCBWSIQCL-MNOVXSKESA-N 324.406 -0.290 30 20 DBED CN(c1cnc(C#N)cn1)[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1 1056947572 GIRHAFCNNVQBIG-NEPJUHHUSA-N 314.349 -0.336 30 20 DBED Cn1cc(CC(=O)NCCN(CCO)C(=O)C#CC2CC2)cn1 1057531032 COZRLZNQOSLISB-UHFFFAOYSA-N 318.377 -0.687 30 20 DBED N#Cc1cccnc1N1CCC(NC(=O)Cn2cnnn2)CC1 1057840547 HWDNGYXGQCKWQT-UHFFFAOYSA-N 312.337 -0.275 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)c1cnnc(O)c1 1057886912 RBXBWWSCGIYBMD-UHFFFAOYSA-N 320.349 -0.608 30 20 DBED C[C@@H](N=c1cc[nH]c(C#N)n1)[C@@H]1CCCCN1C(=O)CC(N)=O 1058004187 GXHJUPZAKJKQEV-MNOVXSKESA-N 316.365 -0.173 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)CCCCN(C)C 1058236918 LGWLVVGERYXLKM-CYBMUJFWSA-N 312.414 -0.185 30 20 DBED N#Cc1nccc(N2CC[C@H](NC(=O)CN3CCCC3=O)C2)n1 1058308200 KYYMPKDYNXDSMX-NSHDSACASA-N 314.349 -0.334 30 20 DBED CN(C)CCC(=O)N(CCO)CCNC(=O)c1ccc(C#N)[nH]1 1058707901 SODOQDFYGDPKBE-UHFFFAOYSA-N 321.381 -0.611 30 20 DBED CN1CCOC[C@@H]1C(=O)N1CC[C@H](Nc2ccc(C#N)nn2)C1 1058855005 OQCOCZDDCRFQJD-QWHCGFSZSA-N 316.365 -0.308 30 20 DBED C#CCNC(=O)CC(=O)N1CCC2(CC1)CN(C(=O)C1CC1)C2 1060869636 QGZMENSMGTTYSB-UHFFFAOYSA-N 317.389 -0.013 30 20 DBED C=CCCC(=O)N1CCOC[C@@H]1CNC(=O)[C@H]1CC(=O)N(C)C1 1061645303 UKVHWYSVRIABIH-STQMWFEESA-N 323.393 -0.226 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(NC(=O)[C@H]2CNC(=O)N2)CCC1 1062865579 DFEHVAIQZTZCDP-QMTHXVAHSA-N 324.381 -0.850 30 20 DBED CN(C(=O)[C@H]1CCC(=O)N1)[C@H]1CCN(c2nccnc2C#N)C1 1062900268 WNZJNXMWJSGUJB-WDEREUQCSA-N 314.349 -0.336 30 20 DBED C[C@@H]1CCCN(C(=O)C(N)=O)[C@H]1CNc1nccnc1C#N 1063956692 LMMASSHAVVPKQH-KOLCDFICSA-N 302.338 -0.127 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)C[C@@H]2CCNC2=O)CCC1 1064305581 UWHYMGXWSMMTDZ-QWRGUYRKSA-N 306.366 -0.173 30 20 DBED CNC(=O)CC(=O)N1CCO[C@@H](CNC(=O)C#CC(C)C)C1 1065078187 DTWIRSQGFONQBB-LBPRGKRZSA-N 309.366 -0.875 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)CC(=O)NC)CCO1 1065078702 QDROFWCPDKYYQB-GFCCVEGCSA-N 309.366 -0.730 30 20 DBED N#Cc1cnccc1N1C[C@H](O)[C@H](CNC(=O)c2cnon2)C1 1067678338 QFBDSIRKHVHONE-MFKMUULPSA-N 314.305 -0.437 30 20 DBED C=CCCC(=O)N1CCOC2(C1)CN(C(=O)c1cnn(C)n1)C2 1068345997 GTQPTESMOQQCTF-UHFFFAOYSA-N 319.365 -0.165 30 20 DBED CC(C)N(C)CC(=O)N1CC2(C1)CN(C(=O)[C@@H](C)C#N)CCO2 1068451164 IKZBTIIHOXGRAN-ZDUSSCGKSA-N 322.409 -0.074 30 20 DBED C=CCCC(=O)N1CC2(C[C@@H](NC(=O)[C@H](C)NC(C)=O)CO2)C1 1068682099 LIKVSWVIPQXMPN-WCQYABFASA-N 323.393 -0.037 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)[C@H]2CCC(=O)N2)CCOCC1 1070038883 HFQSGUWRURTQDH-GHMZBOCLSA-N 322.365 -0.794 30 20 DBED C#CCN[C@@H]1CN(C(=O)Cc2cncs2)C[C@@H]1n1ccnn1 1070214076 DLWHIFIRIPBDLS-OLZOCXBDSA-N 316.390 -0.048 30 20 DBED C#CCCCCCC(=O)NCC1(NC(=O)C(N)=O)CCOCC1 1070230007 RKCANATVHOXBDY-UHFFFAOYSA-N 323.393 -0.163 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)c4ccc(O)nn4)C[C@@]3(C1)O2 1070755756 SVUFWASNWWBWLA-XHBSWPGZSA-N 314.345 -0.269 30 20 DBED CN1CC[C@H](C(=O)N2C[C@H]3C[C@@H]4CN(CC#N)C[C@]3(C2)O4)C1=O 1070839010 DSIQSIAAJOTCIF-NFFDBFGFSA-N 318.377 -0.710 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)[C@H]4CCN(C)C4)C[C@@]3(C1)O2 1070888898 HHTRDAZIHHLYJT-KLZNWCGWSA-N 303.406 -0.127 30 20 DBED C=CCCOCC(=O)N1CCC[C@@H](NC(=O)Cn2cncn2)C1 1070904996 LAAALBVGKKBJDJ-CYBMUJFWSA-N 321.381 -0.022 30 20 DBED C#CCN[C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 1071082378 WZERJICLJMQMAJ-RDBSUJKOSA-N 320.393 -0.713 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCN([C@@H]3CCC(=O)NC3=O)C2)C1 1072553184 WOUUGLPGYPMIQA-GHMZBOCLSA-N 304.350 -0.514 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)c2ccc(N(C)C)nn2)C1 1073856327 CMRLREDDFGLBEM-ZDUSSCGKSA-N 317.393 -0.004 30 20 DBED CC#CCN1CCO[C@H]2CCN(C(=O)c3cn(C)nn3)C[C@@H]21 1074232879 HFBPVJGPLPFOHC-KBPBESRZSA-N 303.366 -0.246 30 20 DBED CC#CCN1CCO[C@@H]2CCN(C(=O)c3nnn(C)n3)C[C@@H]21 1074317719 VAAPUIPPGXNBLN-NWDGAFQWSA-N 304.354 -0.851 30 20 DBED CNC(=O)NCC(=O)N1CC[C@H](NC(=O)C#CC2CC2)C[C@@H]1C 1074983441 FFAXMVMPGMRJKS-AAEUAGOBSA-N 320.393 -0.176 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H](C)CCNC(=O)c1cnnn1C 1076334021 MGFXWOWEQRCQKN-IINYFYTJSA-N 309.370 -0.233 30 20 DBED C[C@@H](CCNC(=O)CC#Cc1ccccc1)NC(=O)C(N)=O 1076781021 TYUTWDJMXHYDNO-LBPRGKRZSA-N 301.346 -0.076 30 20 DBED C[C@@H](CCNC(=O)Cn1ccc(O)nc1=O)NC(=O)[C@@H](C)C#N 1077236901 YMROMCOQBPPUKI-UWVGGRQHSA-N 321.337 -0.880 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)C1 1077822946 LRUUNGVLZPUWGW-KBUPBQIOSA-N 318.377 -0.917 30 20 DBED C#CCOCCC(=O)N[C@@H](C)CCNC(=O)Cc1nonc1C 1078163735 CLEZMOOHUHZDST-NSHDSACASA-N 322.365 -0.029 30 20 DBED C#CCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)[C@H](C)NC(C)=O)C1 1079770871 OAOKCWAZOZZNHK-RYUDHWBXSA-N 323.393 -0.391 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(N(CC)C(=O)[C@H]2C[C@H]2C(N)=O)C1 1080564119 OQLCBFQJBCKFMQ-BFQNTYOBSA-N 323.393 -0.506 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)Cc2nc[nH]n2)C[C@H]1O 1081441797 MRCXPTYGXFNGDB-VXGBXAGGSA-N 319.365 -0.914 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)c2ccon2)C[C@@H]1O 1081463067 JDHZRLQRPYQMSW-AAEUAGOBSA-N 305.334 -0.117 30 20 DBED Cn1cccc1C(=O)N1C[C@@H](O)[C@@H](CNC(=O)C#CC2CC2)C1 1081468813 OSJRDWYWSIIBPI-DZGCQCFKSA-N 315.373 -0.012 30 20 DBED C=CC(C)(C)C(=O)NC[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1O 1081640688 PNWOFHFNZXVZGY-ZYHUDNBSSA-N 321.381 -0.424 30 20 DBED C#CCCCC(=O)NC[C@@H]1CCCCN1C(=O)[C@@H]1CNC(=O)N1 1082260496 XRNNZCUAHCGWKT-STQMWFEESA-N 320.393 -0.031 30 20 DBED CCN(c1ccc(C#N)nn1)[C@H](C)CNC(=O)Cn1cncn1 1089647734 KNJXRXQWQJQYNV-LLVKDONJSA-N 314.353 -0.029 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2cnc3n2CCOC3)[C@H](O)C1 1090337052 NZRIJPQUXODDHT-GXTWGEPZSA-N 318.377 -0.398 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)c2cc(C(N)=O)ccn2)[C@H](O)C1 1090856511 FZDQDYXECACTKH-TZMCWYRMSA-N 318.377 -0.078 30 20 DBED N#Cc1ccc(C(=O)NCC2CC(N[C@H]3CCNC3=O)C2)[nH]1 1090988553 XYZUSNHECXVTTE-OCTTZUBCSA-N 301.350 -0.127 30 20 DBED CC(=O)NCC(=O)NC[C@H]1C[C@H](Nc2ccc(C#N)nn2)C1 1091416285 BIAVUTHQASCGOO-UMSPYCQHSA-N 302.338 -0.209 30 20 DBED N#Cc1cncc(N[C@H]2C[C@H](CNC(=O)C3(C(N)=O)CC3)C2)n1 1091505693 CEWAMVPDWGEYTP-MGCOHNPYSA-N 314.349 -0.080 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1[C@@H]2CN(c3cc(C)ncn3)C[C@@H]21 1093265636 JKHQGKDHZYSHFD-ATCWAGBWSA-N 313.361 -0.525 30 20 DBED C#CCN1CC(OC2CCN(C(=O)[C@@H]3CCC(=O)NC3)CC2)C1 1093548295 AOHDKTGNOSGTGW-CYBMUJFWSA-N 319.405 -0.162 30 20 DBED CCN1CCO[C@H](C(=O)NCCN=c2cc[nH]c(C#N)n2)C1 1093654826 QHOLZGGLPDQHMI-NSHDSACASA-N 304.354 -0.981 30 20 DBED CNC(=O)NC(C)(C)C(=O)NCCNc1cnc(C#N)cn1 1093673627 VTDMLTWJUPWYFN-UHFFFAOYSA-N 305.342 -0.416 30 20 DBED C[C@@H](CS(C)(=O)=O)C(=O)NCCN=c1cc[nH]cc1C#N 1093681048 OBETWANVGMEYQX-JTQLQIEISA-N 310.379 -0.416 30 20 DBED CCC(CC)C(=O)NCC(=O)NCCN=c1cc[nH]c(C#N)n1 1093717766 VNMWDCPXIXRTTK-UHFFFAOYSA-N 318.381 -0.149 30 20 DBED C=CCOCC(=O)NCCCNc1ncnc2c1nnn2C 1094336007 LCGGLFGUDYFHRS-UHFFFAOYSA-N 305.342 -0.121 30 20 DBED N#CCN1CC(N2C[C@H](NC(=O)[C@@H]3[C@H]4CCC[C@H]43)CC2=O)C1 1094720705 PHVYQIZTPNIXSH-PBOSXPJTSA-N 302.378 -0.043 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CC(=O)N(C2CN(CC)C2)C1 1094746132 RQVNIWCQKOEESA-HIFRSBDPSA-N 318.421 -0.495 30 20 DBED CCS(=O)(=O)CC(=O)N[C@@H]1CCN(c2cnc(C#N)cn2)C1 1096389808 LYTIDZDZMQLZOJ-SNVBAGLBSA-N 323.378 -0.522 30 20 DBED CC(=O)NC(C)(C)C(=O)N[C@H]1CCN(c2ccnc(C#N)n2)C1 1096399319 CJHBXBGFRMELAA-NSHDSACASA-N 316.365 -0.042 30 20 DBED CNC(=O)NCCC(=O)N1CC[C@H](N=c2cc[nH]cc2C#N)C1 1096932771 QWIWAYUMYHQZAJ-LBPRGKRZSA-N 316.365 -0.293 30 20 DBED CNC(=O)C1(C(=O)N2CC[C@H](N=c3cc[nH]cc3C#N)C2)CC1 1096946517 BFYCGFMNLRVYKA-LBPRGKRZSA-N 313.361 -0.086 30 20 DBED N#Cc1cnc(N[C@H]2C[C@@H](NC(=O)C(=O)NCC(F)F)C2)cn1 1097228958 HZHZOWFTRBLOLB-OCAPTIKFSA-N 324.291 -0.211 30 20 DBED C[C@H](CNC(=O)[C@H]1CN(C)CCO1)Nc1nccnc1C#N 1097768164 HHKDWEATXVPWAE-ZYHUDNBSSA-N 304.354 -0.405 30 20 DBED CNC(=O)C1(C(=O)NC[C@@H](C)Nc2cnc(C#N)cn2)CC1 1097938778 SUDYLMWAGYSMAP-SECBINFHSA-N 302.338 -0.209 30 20 DBED CCN1CCOC[C@H]1C(=O)NC[C@H](C)Nc1cncc(C#N)n1 1098129124 VYNULMCSUGOJIU-AAEUAGOBSA-N 318.381 -0.014 30 20 DBED C#Cc1cncc(C(=O)N2CCC(N(CCO)CCO)CC2)c1 1098475954 WRKAEEJWWNNEKY-UHFFFAOYSA-N 317.389 -0.046 30 20 DBED C[C@@H]1CN(C(=O)[C@H](C)C#N)CC2(CCN(CC(N)=O)CC2)O1 1098574028 FAUYVEGJSCMJGI-VXGBXAGGSA-N 308.382 -0.287 30 20 DBED C#CCCN1C[C@@H]2CCC[C@]2(NC(=O)Cn2ncn(C)c2=O)C1 1098912338 DRESIGGSCOLTRK-BBRMVZONSA-N 317.393 -0.424 30 20 DBED C[C@H](CCNC(=O)[C@H]1COCCN1C)Nc1ccc(C#N)nn1 1099022695 XDWSDGBEERDCNI-DGCLKSJQSA-N 318.381 -0.014 30 20 DBED C[C@H](CCNC(=O)c1cn(C)c(O)n1)N=c1cc[nH]c(C#N)n1 1099662195 RPEIRARTGSCIQT-SECBINFHSA-N 315.337 -0.170 30 20 DBED CNC(=O)NCC(=O)NCC[C@@H](C)N=c1cc[nH]cc1C#N 1099748529 YILFNCHUOKQVRN-SNVBAGLBSA-N 304.354 -0.389 30 20 DBED C[C@H](C(=O)NCCN(C)c1ccnc(C#N)n1)n1cncn1 1100028451 UPKWEWGBUKKRTB-SNVBAGLBSA-N 300.326 -0.247 30 20 DBED C#CCNC(=O)CC(=O)NCCN(C)c1nc(C)cc(OC)n1 1100037476 AFHYKTVTOUWXJS-UHFFFAOYSA-N 319.365 -0.514 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CCn2cnccc2=O)[C@@H](O)C1 1100051091 SBGNNVACVXBPCM-KGLIPLIRSA-N 318.377 -0.792 30 20 DBED C#CCN1CC[C@@H](NC(=O)CCNC(=O)CC(C)C)[C@H](O)C1 1100143375 SJSNPNIKMPUWPY-ZIAGYGMSSA-N 309.410 -0.277 30 20 DBED CCN(CCNC(=O)CCn1cncn1)c1ccc(C#N)nn1 1100474705 FJUIUZQWBSXAAT-UHFFFAOYSA-N 314.353 -0.027 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)COCC(F)F)C1 1100534235 VDPATERLAFJOQZ-UHFFFAOYSA-N 317.336 -0.498 30 20 DBED CCCN(CCNC(=O)CC(=O)NC)c1nccnc1C#N 1101126398 FDDAFTOAFLAFHC-UHFFFAOYSA-N 304.354 -0.183 30 20 DBED CCCN(CCNC(=O)[C@@H]1COC(=O)N1)c1cnc(C#N)cn1 1101132038 FRNONISUJZUOPS-NSHDSACASA-N 318.337 -0.211 30 20 DBED CNC(=O)NCCC(=O)N(C)CCNc1cnc(C#N)cn1 1101574295 BWRWNFCDMCLXDA-UHFFFAOYSA-N 305.342 -0.462 30 20 DBED CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N(C)CCNc1cnc(C#N)cn1 1101972232 QUKWDFWAFPQJNY-NEPJUHHUSA-N 316.365 -0.057 30 20 DBED CC[C@@H](CNC(=O)[C@H](COC)OC)N=c1cc[nH]c(C#N)n1 1103302729 SCCAOYIPKPBLOR-QWRGUYRKSA-N 307.354 -0.262 30 20 DBED C#CCOCCC(=O)NC[C@H]1CN(c2cc(F)ncn2)CCO1 1104330725 VSQPRFVUNFUUQE-LBPRGKRZSA-N 322.340 -0.023 30 20 DBED C[C@@H](CN=c1cc[nH]cc1C#N)N(C)C(=O)[C@@H]1CN(C)CCO1 1104539276 XOXLTYNTMKTDSB-WFASDCNBSA-N 317.393 -0.035 30 20 DBED C[C@H](CN=c1cc[nH]cc1C#N)N(C)C(=O)[C@@H]1CCNC1=O 1104764287 PONACJOUPKGFLL-ZYHUDNBSSA-N 301.350 -0.230 30 20 DBED C#CCCNCc1cn(C2CN(C(=O)c3ncccn3)C2)nn1 1105345616 JTGBKROSDQTENY-UHFFFAOYSA-N 311.349 -0.122 30 20 DBED CNC(=O)NCC(=O)N1CCOC2(CCC(NCC#N)CC2)C1 1105473003 LRIDNJCEKNIPGR-UHFFFAOYSA-N 323.397 -0.431 30 20 DBED C[C@H](CC(N)=O)C(=O)N(C)CCN(C)c1cncc(C#N)n1 1105521805 SXXRMBQZVNSFKW-SNVBAGLBSA-N 304.354 -0.246 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CCC[C@H]1CN=c1cc[nH]c(C#N)n1 1105644205 KRHRSHXLCFSOMK-NWDGAFQWSA-N 316.365 -0.397 30 20 DBED Cc1nnsc1C(=O)NC[C@@H](O)CNc1nccnc1C#N 1105744263 MSRZAOCGWIGMNV-QMMMGPOBSA-N 319.350 -0.289 30 20 DBED N#Cc1cnc(NC[C@H](O)CNC(=O)C2=CCOCC2)cn1 1105802179 HXSSTSDZWVYEFA-LBPRGKRZSA-N 303.322 -0.416 30 20 DBED CCn1ncc(C(=O)NC[C@@H](O)CN=c2cc[nH]cc2C#N)n1 1105822487 QVLDGAWETZLROW-NSHDSACASA-N 315.337 -0.811 30 20 DBED C[C@@H]1CN(C(=O)[C@@H]2CCCOC2)C[C@H]1CNCC(=O)NCC#N 1105924684 WAXWCRMXPBHUOU-MGPQQGTHSA-N 322.409 -0.263 30 20 DBED Cc1cnoc1C(=O)NC[C@H](O)CNc1ccc(C#N)nn1 1105938945 HCDZZKJCOBZHLY-SNVBAGLBSA-N 302.294 -0.153 30 20 DBED COC1CC(C(=O)NC[C@@H](O)CNc2cncc(C#N)n2)C1 1105997525 UNKORZSLBZFCML-ZYXZCXLHSA-N 305.338 -0.338 30 20 DBED C[C@H](CC(N)=O)C(=O)NC[C@H](O)CNc1ncccc1C#N 1106060523 WQKCKQRYZGJWBU-MWLCHTKSSA-N 305.338 -0.646 30 20 DBED Cc1cc(C#N)nc(NC[C@H](O)CNC(=O)[C@@H]2[C@H]3COC[C@H]32)n1 1106063309 YQEYBBJRORCECZ-NDBYEHHHSA-N 317.349 -0.562 30 20 DBED C=CCNC(=O)CNC[C@@H]1CN(C(=O)[C@H]2COC(=O)N2)C[C@H]1C 1106076357 WXPHYAALEBIRJM-IJLUTSLNSA-N 324.381 -0.919 30 20 DBED C=CCn1cc(C(=O)NC[C@@H](O)CNc2ncccn2)nn1 1106131738 JCHASZWFHYPYLE-SNVBAGLBSA-N 303.326 -0.543 30 20 DBED N#Cc1cncc(NC/C=C/CNC(=O)[C@H]2COC(=O)N2)n1 1107176382 XLGXCSGFQCKTSD-TXXBHVLJSA-N 302.294 -0.459 30 20 DBED Cc1cc(C#N)nc(NC/C=C\CNC(=O)[C@H]2C[C@H]2C(N)=O)n1 1107517394 QPXVFHGQWNSLTR-DQOJRVPBSA-N 314.349 -0.138 30 20 DBED C[C@H](CNc1nccnc1C#N)NC(=O)[C@@H]1CCN(C)C1=O 1108071334 GRWQOIQUXXRPQK-ZJUUUORDSA-N 302.338 -0.257 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)CN1CCCC1=O 1108247336 NTBABPHAOAWCNZ-JTQLQIEISA-N 302.338 -0.691 30 20 DBED CC(C)S(=O)(=O)CC(=O)NC[C@]1(C)CN(CC#N)CCO1 1108405102 SWQXKPLSAUOEEB-CYBMUJFWSA-N 317.411 -0.460 30 20 DBED N#CCSCC(=O)N[C@@H]1CC(=O)N(C2CN(CCF)C2)C1 1108511936 YNAOZNYJEIBALV-SNVBAGLBSA-N 314.386 -0.386 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)c1coc(C(N)=O)c1 1108611090 WIAWIWJCWHBKDR-QMMMGPOBSA-N 314.305 -0.308 30 20 DBED COCC(=O)N[C@H](C)C(=O)N[C@@H](C)CNc1ccc(C#N)nn1 1108746798 XADYBPBFLOLOIL-VHSXEESVSA-N 320.353 -0.584 30 20 DBED C[C@@H](CNc1ccc(C#N)nn1)NC(=O)[C@@H](C)S(C)(=O)=O 1108773581 FHUPKGHZZSURNL-DTWKUNHWSA-N 311.367 -0.302 30 20 DBED COC[C@@H](OC)C(=O)N[C@@H](C)CN(C)c1cncc(C#N)n1 1109220255 VQZGINHTBOAAKK-CMPLNLGQSA-N 307.354 -0.049 30 20 DBED CNC(=O)NCC(=O)N[C@@]1(C)CCN(c2ncccc2C#N)C1 1110822467 LPCGLORNIJHESJ-HNNXBMFYSA-N 316.365 -0.033 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1csnn1 1110866220 VEDTZBKSONDYKQ-FOGDFJRCSA-N 319.390 -0.377 30 20 DBED C[C@]1(CNC(=O)CC(N)=O)CCCN(c2nccnc2C#N)C1 1110920521 SFDHFPFBPJJVAC-OAHLLOKOSA-N 316.365 -0.054 30 20 DBED CCO[C@H](C)C(=O)NC[C@@]1(O)CCN(c2ccc(C#N)nn2)C1 1111029136 CYKXCTCYGSQQTK-ABAIWWIYSA-N 319.365 -0.169 30 20 DBED CCO[C@@H](C)C(=O)NC[C@@]1(O)CCN(c2ccc(C#N)nn2)C1 1111029138 CYKXCTCYGSQQTK-NHYWBVRUSA-N 319.365 -0.169 30 20 DBED COCC(=O)NC[C@]1(O)CCN(c2cc(C)ncc2C#N)C1 1111033262 JTYPBFBHBAKQGU-OAHLLOKOSA-N 304.350 -0.035 30 20 DBED CNC(=O)CC(=O)N1C[C@H](C)[C@H](CN=c2cc[nH]c(C#N)n2)C1 1111240801 ITBNGLUJSRANSI-WDEREUQCSA-N 316.365 -0.587 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCCO2)C1 1111574517 HQWVMUCPQLELBX-VBQJREDUSA-N 319.405 -0.115 30 20 DBED C#CCO[C@H](C)C(=O)N[C@]12CCC[C@H]1CN(CC(=O)NC)C2 1111742462 ARJNATPKRNKNSZ-WWGRRREGSA-N 307.394 -0.259 30 20 DBED COCCCC(=O)NC[C@H]1CN(c2ccc(C#N)nn2)C[C@H]1O 1112705881 YUYWQZALJMALDE-WCQYABFASA-N 319.365 -0.312 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)C[C@@H]2COC(=O)C2)CC1 1112767348 PALCXOMPQIIATD-LBPRGKRZSA-N 309.366 -0.614 30 20 DBED C[C@H](N=c1cc[nH]c(C#N)n1)[C@@H](C)NC(=O)CNC(=O)C1CC1 1112962123 BWKQGKVLFCSGAN-VHSXEESVSA-N 316.365 -0.399 30 20 DBED CO[C@H]1CC[C@H](C(=O)N2CCN(CC(=O)NCC#N)CC2)C1 1113046913 OODWVIGFYMFCLL-STQMWFEESA-N 308.382 -0.415 30 20 DBED COCC(C)(C)CC(=O)N1CCN(CC(=O)NCC#N)CC1 1113148026 OQKORZBXXLEDPK-UHFFFAOYSA-N 310.398 -0.167 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)Cc2cncn2C)CC1 1113538385 LRXHJILRWCICHY-CYBMUJFWSA-N 319.409 -0.203 30 20 DBED C=CCOCC(=O)NC[C@@H](C)N(C)c1nccn2nnnc12 1113541124 KZWXDGWVHXANPE-SNVBAGLBSA-N 305.342 -0.337 30 20 DBED C[C@@H](CNC(=O)C[C@@H]1CCNC1=O)N(C)c1cnc(C#N)cn1 1113755417 CIIDEBVGOWVOEG-QWRGUYRKSA-N 316.365 -0.185 30 20 DBED CCN(C)C(=O)CN1C[C@@H]2C(NC(=O)CSCC#N)[C@H]2C1 1113891364 QMEXRRRWBBZBJV-QWRGUYRKSA-N 310.423 -0.232 30 20 DBED C=CCN1CC[C@H](N2C[C@H]3C(NC(=O)CC(C)(C)O)[C@@H]3C2)C1=O 1114213254 XPGHNKQRSXCTKA-UPJWGTAASA-N 321.421 -0.019 30 20 DBED N#Cc1nccc(N2CCCCC[C@@H]2CNC(=O)C(N)=O)n1 1114377279 FKYOVKAMTKTNTM-SNVBAGLBSA-N 302.338 -0.301 30 20 DBED CN(CC(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21)C1CCC1 1114411733 JVOHKZHRUTZZPM-VIKVFOODSA-N 319.409 -0.843 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)c3cnn[nH]3)[C@H]2C1 1114515525 FVQXYFUEOIZWDM-SVDPJWKOSA-N 304.354 -0.845 30 20 DBED C=CCCCN1C[C@H]2[C@H](NC(=O)CN3CCNC(=O)C3)[C@H]2C1 1114662867 OFUBNOCJECYCIM-VIKVFOODSA-N 306.410 -0.569 30 20 DBED C[C@@H]1C[C@H](CN=c2cc[nH]c(C#N)n2)CN1C(=O)CNC(N)=O 1114664263 PDQAVMWADHHDRT-NXEZZACHSA-N 317.353 -0.913 30 20 DBED CCNC(=O)CC(=O)N[C@H]1C[C@H](CN=c2cc[nH]c(C#N)n2)C1 1114756613 OLTDIQLWCDIMKE-XYPYZODXSA-N 316.365 -0.397 30 20 DBED C#CCN1C[C@H]2[C@H](NC(=O)C[C@]3(C)CCS(=O)(=O)N3)[C@H]2C1 1115175864 DIMSUIGZUNYWDF-UNJBNNCHSA-N 311.407 -0.862 30 20 DBED CN(C(=O)CC(N)=O)[C@@H](CNc1cncc(C#N)n1)C1CC1 1115487362 ZRIFMZJFAASBHY-NSHDSACASA-N 302.338 -0.127 30 20 DBED COC[C@@H](CNC(=O)C(=O)Nc1cc(C)nn1CCC#N)OC 1116522894 FGPRARVUVGXPCX-LLVKDONJSA-N 323.353 -0.179 30 20 DBED COC(=O)CC1(NC(=O)C(=O)Nc2cnn(CC#N)c2)CCC1 1116808025 DAKOOBRFGIOCTJ-UHFFFAOYSA-N 319.321 -0.053 30 20 DBED C[C@@H](C(=O)NCc1ccc(C(=O)NO)cc1)S(C)(=O)=O 1116868834 PGTUVMQDFBXKKS-QMMMGPOBSA-N 300.336 -0.145 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CCC[C@@](C)(CO)C2)nn1 1118179048 YZSMGFQWVBJDLL-OAHLLOKOSA-N 321.381 -0.299 30 20 DBED C=CCN(CC=C)C(=O)C(=O)N1C[C@H]2C(=O)N(C)C(=O)[C@H]2C1 1118999342 YGODZBYJGGZLHX-PHIMTYICSA-N 305.334 -0.740 30 20 DBED CCO[C@H]1CCN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1 1120471250 IQLTUPNXRROKJE-KBPBESRZSA-N 320.393 -0.177 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)CCc2nc[nH]n2)nc1 1121412845 WNBVSMMVDSIRNL-LLVKDONJSA-N 315.337 -0.407 30 20 DBED C=CCn1c(N2CCN(C)C(=O)C2)nnc1[C@]1(C)CNC(=O)C1 1121497209 OTGZEPRBAAAFPX-HNNXBMFYSA-N 318.381 -0.480 30 20 DBED COC(=O)c1cnc(N[C@@H](CO)CNC(=O)C#CC(C)C)nc1 1121528189 IYMJYFMRFRCITB-GFCCVEGCSA-N 320.349 -0.188 30 20 DBED N#Cc1cccnc1N[C@@H](CO)CNC(=O)C[C@@H]1CCC(=O)N1 1121771871 YQVFKSVMUDOXIH-NWDGAFQWSA-N 317.349 -0.489 30 20 DBED CN1CC[C@@H](C(=O)NC[C@@H](CO)Nc2ccc(C#N)cn2)C1=O 1122430979 RHLDRELQNVMFJJ-RYUDHWBXSA-N 317.349 -0.679 30 20 DBED COC[C@@H](C)C(=O)N(C)C[C@H](O)CNc1cnc(C#N)cn1 1124195826 BQSWLXWVHYHTGD-ZYHUDNBSSA-N 307.354 -0.138 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]cc1C#N)C(=O)[C@@H]1[C@H]2COC[C@H]21 1124654485 QIAOSTPRKCVROW-CXTNEJHOSA-N 316.361 -0.501 30 20 DBED CC(=O)NCC(=O)N(C)C1CC(Nc2cnc(C#N)cn2)C1 1126835982 HADPLUGXBQREJC-UHFFFAOYSA-N 302.338 -0.114 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)c2cc(OC)ncn2)C1=O 1127464431 VDEXFNFQLKXNEN-LLVKDONJSA-N 319.365 -0.409 30 20 DBED C#CCN1CCn2ncc(CNC(=O)CCn3cnnn3)c2C1 1128524455 ICAQWOHFNIYXPO-UHFFFAOYSA-N 314.353 -0.975 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@H]1CC(=O)N(CC(C)C)C1 1128680145 PHTBMGAKWPXQLG-ZDUSSCGKSA-N 324.425 -0.501 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)[C@H]1CO[C@H](C)C1 1130504471 OJHYAVFKLDSTNP-GHMZBOCLSA-N 312.370 -0.871 30 20 DBED C#CCN1CC[C@@]2(C1)CN(C(=O)CC(=O)NCC)C[C@H](C)O2 1131652628 LOJRHORQQQNIOE-XJKSGUPXSA-N 307.394 -0.162 30 20 DBED C=CCNC(=O)CNCCNC(=O)C[C@H](C)c1cnn(C)c1 1131731743 HWGTUIXVSKJHHC-LBPRGKRZSA-N 307.398 -0.078 30 20 DBED C[C@@H]1CC[C@H](NC(=O)c2cncn2C)CN1CC(=O)NCC#N 1132156955 KDRWIZLXXONOMS-NEPJUHHUSA-N 318.381 -0.357 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1cnc2n1CCCC2 1132795811 ZFLRNLYPGUXZFR-UHFFFAOYSA-N 305.382 -0.159 30 20 DBED C=CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)c1nnn(C)c1C 1133995181 XPACEKOVQHSDRX-GHMZBOCLSA-N 322.413 -0.088 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)C[C@H](C)NCc1cnnn1C 1134130047 BIZLWEFJMSJMDK-NWDGAFQWSA-N 320.397 -0.673 30 20 DBED C=CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)Cn1cnnc1O 1134134113 CHMLUCNODQDMQI-WDEREUQCSA-N 324.385 -0.841 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NCCNCc1ncnn1CC 1134817407 WLWYNHLTBBSEEL-ZDUSSCGKSA-N 322.413 -0.025 30 20 DBED CC#CCN[C@@H](C)C[C@@H](C)NC(=O)CCn1cc[nH]c(=O)c1=O 1135686227 FCDLJWDIOLYTOU-QWHCGFSZSA-N 320.393 -0.177 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)[C@H]1C[C@]12CCOC2 1147007745 AEZDEQSFYJMXOC-ABAIWWIYSA-N 324.381 -0.869 30 20 DBED COCC#CCNCCNC(=O)CCC(=O)NCCCOC 1147295005 JEPXKLHPACCMEB-UHFFFAOYSA-N 313.398 -0.725 30 20 DBED C#CCOCCC(=O)N1CC2(CCN([C@@H](CC)C(N)=O)C2)C1 1147534894 QGOYZNRYTXUUIE-ZDUSSCGKSA-N 307.394 -0.176 30 20 DBED C#CCOc1ncccc1C(=O)NCCNCC(=O)N1CCC1 1148302414 LDHPURMETKEEPF-UHFFFAOYSA-N 316.361 -0.355 30 20 DBED COC[C@H](C)CC(=O)N1CC2(CCN(CC(=O)NCC#N)C2)C1 1148511334 LVGKNTYTUHCAJD-CYBMUJFWSA-N 322.409 -0.167 30 20 DBED CN1CC[C@H](N2CCCO[C@@H](CNC(=O)C#CC3CC3)C2)C1=O 1149700113 FGHOSYNHCXIHSA-GJZGRUSLSA-N 319.405 -0.162 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CCc2c[nH]nc2C1 1151729206 DAYXXCMWZOORSA-VXGBXAGGSA-N 319.409 -0.089 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)NCCNCc1ncnn1C 1152399329 SWECHBQPZKZZGV-UHFFFAOYSA-N 323.401 -0.715 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)[C@@H](C)OCC#C 1153306254 GLNWUCGJFZHZJG-ZIAGYGMSSA-N 307.394 -0.399 30 20 DBED C#CCO[C@@H](C)C(=O)NCCCNC[C@@H]1CCS(=O)(=O)C1 1157869462 MPFSTNILZWXWFG-STQMWFEESA-N 316.423 -0.445 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)C[C@H](C)NC(N)=O 1157960752 ZRRAXVRGYPOTOR-QWRGUYRKSA-N 313.402 -0.780 30 20 DBED CC(C)CN1CC[C@@H](C(=O)NCCCNCC(=O)NCC#N)C1 1159846724 RZUMLBQQUKMWRG-CQSZACIVSA-N 323.441 -0.300 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1ccnc(OC)c1 1161643763 AXJLUKAVAROCJP-UHFFFAOYSA-N 304.350 -0.451 30 20 DBED C#CCNC(=O)CNCC1(CCNC(=O)c2c[nH]nc2C)CC1 1166489848 STYUDENCVXOEMD-UHFFFAOYSA-N 317.393 -0.043 30 20 DBED C[C@@H](NS(C)(=O)=O)C(=O)NCCC1(CNCC#N)CC1 1167328538 IWRABJVZFDXIPG-SNVBAGLBSA-N 302.400 -0.676 30 20 DBED C=CCCNCCCNC(=O)CN1CCS(=O)(=O)CC1 1176025661 APMWWLTWKHOEEL-UHFFFAOYSA-N 303.428 -0.611 30 20 DBED COc1cc(C(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)on1 1182121773 PPTZXUKCZLNUNN-SECBINFHSA-N 307.310 -0.873 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)Cc2ccn(C)n2)C1 1182466142 JDXHUONIELYKPQ-GXTWGEPZSA-N 317.393 -0.709 30 20 DBED C=CCOCC(=O)N1CC[C@H]2CN([C@H](C)C(=O)NC(N)=O)C[C@H]21 1187281648 YSLSDLHBMMNSOX-GRYCIOLGSA-N 324.381 -0.695 30 20 DBED COCC#CCN1C[C@@H]2CCN(C(=O)[C@@H]3CCNC(=O)C3)[C@@H]2C1 1187501442 ARPGBAFBGUZUHW-QLFBSQMISA-N 319.405 -0.305 30 20 DBED N#CCNC(=O)CN1C[C@@H]2CCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)[C@@H]2C1 1188865269 ANAFSMDJAKUHRF-RLPMIEJPSA-N 318.377 -0.949 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](N(C)Cc2cnnn2C)C1 1190120794 MBEUDWREOWLERF-CYBMUJFWSA-N 305.382 -0.112 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(Cc2nnc(C3CC3)o2)C[C@H]1O 1191807671 VLRBSVVRBVKJEL-VXGBXAGGSA-N 322.365 -0.189 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CN(Cc2nc(C(F)F)no2)C[C@H]1O 1191855216 YXBYCVLAGYCGLH-BWZBUEFSSA-N 315.280 -0.172 30 20 DBED CCC(C)(C)NC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)C#N)C1 1191864633 NXNXEDBPKSBIAU-QJPTWQEYSA-N 310.398 -0.388 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)/C=C\C2CC2)C1 1192069965 IXYIFYSLGITKHK-ZZGMFZAASA-N 307.394 -0.195 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2nocc2C)C[C@H]1O 1192892438 XUUBOOOWUJPTME-MRVWCRGKSA-N 307.350 -0.317 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)C(C)(C)C(C)C)C1 1193312977 UOKAAZTTWAIOFO-MGPQQGTHSA-N 323.437 -0.032 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H](Cn2cccn2)N(C)C)C1 1193756371 PXSLQCALGMZLFR-RBSFLKMASA-N 321.425 -0.449 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)C2(C3CC3)CC2)C1 1193978664 WCOWKPRIQRINFO-MRVWCRGKSA-N 319.405 -0.524 30 20 DBED C=CCO[C@H](C)C(=O)N1CC[C@@H](N(C)CC(=O)NCC#N)C1 1194396367 BJXWJHNJWDFPKM-CHWSQXEVSA-N 308.382 -0.250 30 20 DBED C=C(C)C[C@H](C)C(=O)N[C@@H]1CN(CCS(C)(=O)=O)C[C@H]1O 1195531507 DTQVUTPRWQFELY-YNEHKIRRSA-N 318.439 -0.205 30 20 DBED C#CCO[C@H](C)C(=O)N1CCCN(Cc2nnn(C)n2)CC1 1195791871 LKFMEWKGUYRQRW-GFCCVEGCSA-N 306.370 -0.717 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)[C@H]2COCCO2)CC1 1199394007 CKEZASGDSQQTCK-CYBMUJFWSA-N 311.382 -0.715 30 20 DBED C#CCNC(=O)CC(=O)N1CCC(NCC(=O)NCC=C)CC1 1200170888 NXWNEWQEMIHKMQ-UHFFFAOYSA-N 320.393 -0.991 30 20 DBED C#CCNC[C@@H]1CN(C(=O)C[C@H]2CCC(=O)NC2)CCCO1 1200673073 KQIWIAAYZFRUHD-ZIAGYGMSSA-N 307.394 -0.257 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)c2cc(C)[nH]n2)CC1 1204636466 LREURZNKCHTUNL-UHFFFAOYSA-N 317.393 -0.091 30 20 DBED CN(CC(=O)N1CCC(CNCC#N)CC1)S(C)(=O)=O 1205418592 RXOKZCOYWLXOKY-UHFFFAOYSA-N 302.400 -0.770 30 20 DBED C=CCN1CC[C@H](N[C@H]2CCCN(C(=O)CNC(C)=O)C2)C1=O 1207116269 JQQFQHHXHUOUNB-KBPBESRZSA-N 322.409 -0.510 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)C2=CCOCC2)C1 1207880164 FNUOFINEDVIAGZ-CQSZACIVSA-N 305.378 -0.337 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)c2cncnc2O)C1 1208394511 YGEUKYKZDDCOHM-NSHDSACASA-N 319.365 -0.321 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)Cc2cnc[nH]2)[C@H](C)C1 1208912647 FDQWEVUDTHCLDB-YRGRVCCFSA-N 317.393 -0.473 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2CCN(C)C2=O)C1 1209122931 VYWWKWSCJDZTFR-QWHCGFSZSA-N 322.409 -0.653 30 20 DBED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)C[C@H]1C=CCC1 1211825858 YQYAANRAWUMABJ-BFHYXJOUSA-N 320.393 -0.202 30 20 DBED CO[C@@H]1CN(Cc2cccc(C#N)c2)C[C@H]1NC(=O)CC(N)=O 1212069288 SNWJMRQAFRNJTI-ZIAGYGMSSA-N 316.361 -0.251 30 20 DBED COCC#CCN1C[C@@H](NC(=O)[C@]2(C)CCC(=O)N2)[C@H](OC)C1 1213403521 FWJGKARGVFISBH-IOASZLSFSA-N 323.393 -0.880 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@H](C)NC(=O)c2ccco2)[C@H](OC)C1 1213890190 AXDZLSNADSUBKS-OUCADQQQSA-N 319.361 -0.154 30 20 DBED C#CCOCCC(=O)N1C[C@@H](NCc2ncnn2C)[C@H](C)C1 1214608808 LTQCTQXUZXQGGV-CHWSQXEVSA-N 305.382 -0.209 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)[C@H]2CCC(=O)NC2)C[C@H]1C 1215033670 ISBVYQNQOFFANF-HZSPNIEDSA-N 307.394 -0.401 30 20 DBED C=C(C)CN(CC)C(=O)CN[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C 1215438925 JBPRCAHBFHPHIA-VXGBXAGGSA-N 310.398 -0.667 30 20 DBED C#CCN[C@@H]1CN(C(=O)CS(=O)(=O)N(CC)CC)C[C@H]1C 1215742747 QPSDHZSSCBNKDL-CHWSQXEVSA-N 315.439 -0.272 30 20 DBED N#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C2[C@H]3CCCC[C@H]23)C1 1219415753 FXSVAXMOPBSRHR-RVMXOQNASA-N 320.393 -0.776 30 20 DBED C#CCCCCCC(=O)N[C@@H]1CN(CCOCCO)C[C@@H]1O 1220146656 LOVWUBAWIXHSMH-CABCVRRESA-N 312.410 -0.260 30 20 DBED C=CCC1(C(=O)N[C@@H]2CN([C@@H]3CCNC3=O)C[C@@H]2O)CCC1 1220293373 FLPINGIBSQKJQY-UPJWGTAASA-N 307.394 -0.217 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H]2CCN(CCC[C@@H](C)O)C[C@H]21 1221491634 SFAYPHDUELKMHR-RBSFLKMASA-N 321.421 -0.180 30 20 DBED C#CCNC(=O)CC(=O)NC1CCN(Cc2nncs2)CC1 1226961650 JLBZRRJOLSFMRR-UHFFFAOYSA-N 321.406 -0.242 30 20 DBED COCC[C@@H](C)C(=O)NC1CCN(CC(=O)NCC#N)CC1 1230307095 PJUDADZFZGGECZ-GFCCVEGCSA-N 310.398 -0.121 30 20 DBED CO[C@@H](C)CC(=O)NCC[C@H]1CN(CC#N)CCS1(=O)=O 1230437354 ZICHLWGBEVCBBI-RYUDHWBXSA-N 317.411 -0.460 30 20 DBED C=CCn1cc(CNC(=O)C(=O)NCCc2ccccn2)nn1 1261444911 KMINIYIIIVLWPN-UHFFFAOYSA-N 314.349 -0.166 30 20 DBED N#CC1(OCCOC(=O)[C@@H]2CCS(=O)(=O)N2)CCOCC1 1263478141 OPMCKDVMGPKCFV-JTQLQIEISA-N 318.351 -0.689 30 20 DBED C[C@](C#N)(NC(=O)CN1C(=O)NC2(CCOCC2)C1=O)C1CC1 1321487742 JGLOEJXOZCHRLQ-CQSZACIVSA-N 320.349 -0.104 30 20 DBED O=C1C=CC=N/C1=C(/O)NCCNS(=O)(=O)c1ncc[nH]1 1324399915 RTIVMGKHQKFVMA-MDZDMXLPSA-N 311.323 -0.786 30 20 DBED Cc1c(NC(=O)C(=O)NCC(=O)NCC#N)cnn1CC(C)C 1324974097 TVHGYJFPIBXDNE-UHFFFAOYSA-N 320.353 -0.458 30 20 DBED CN1C(=O)CC[C@@H](NC(=O)C(=O)N2CCC[C@H](CC#N)C2)C1=O 1328207990 BUGNYKYESKOJLB-GHMZBOCLSA-N 320.349 -0.598 30 20 DBED C=CCN(C(=O)C(=O)NCc1nnc2n1CCC2)[C@@H](C)COC 1328233603 BJUULJRQWNMQKO-NSHDSACASA-N 321.381 -0.110 30 20 DBED N#CC1CCN(C(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)CC1 1329698601 PWDOPUKFHDNNSC-OXHZDVMGSA-N 317.345 -0.089 30 20 DBED C[C@@H]1CCOCCN1C(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1338092495 UESJMJZOHARUAU-TZMCWYRMSA-N 320.393 -0.177 30 20 DBED COCCNC(=O)[C@H](C#N)C(=O)/C=C\c1ccc(C(N)=O)o1 1342630553 FEUVCSDYWDFZCD-WUWIAWFRSA-N 305.290 -0.137 30 20 DBED C=CCNC(=O)Cn1nnnc1N1CCC[C@@H](C(C)(C)O)C1 1343873880 BHRCTSPMRKTXCA-LLVKDONJSA-N 308.386 -0.037 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)NCc2cccc(C(N)=O)c2)CCO1 1345463237 DCHAVOFKJHQCFT-GFCCVEGCSA-N 316.317 -0.847 30 20 DBED C[C@H]1[C@H](C)N(C(=O)CCn2cc(C#N)c(O)nc2=O)CCN1C 1362256113 UMGIEFBUEWQLNL-QWRGUYRKSA-N 319.365 -0.238 30 20 DBED N#Cc1cn(CC(=O)NC2CCC(CO)CC2)c(=O)nc1O 1362541720 BXJIAANTVHBOOW-UHFFFAOYSA-N 306.322 -0.512 30 20 DBED Cc1ncc(C(=O)NCCn2cc(C#N)c(O)nc2=O)c(C)n1 1363006760 ZIFDRZLNAUJONE-UHFFFAOYSA-N 314.305 -0.343 30 20 DBED N#Cc1ccc(O[C@H]2CCN(C(=O)Cn3cnc(N)n3)C2)nc1 1363136907 JGKWEXQZISNKLA-NSHDSACASA-N 313.321 -0.193 30 20 DBED CC(C)N(C)C[C@@H](C)NC(=O)Cn1cc(C#N)c(O)nc1=O 1363153194 AYHIRKPUFWPDPC-SNVBAGLBSA-N 307.354 -0.335 30 20 DBED Cn1c(=O)[nH]c(N2CCC[C@H](n3ccnn3)C2)c(C#N)c1=O 1365231679 MEXOASYQCNSPBS-VIFPVBQESA-N 301.310 -0.622 30 20 DBED C[C@H](C#N)C(=O)NCC1(C)CCN(C(=O)[C@@H]2COC(=O)N2)CC1 1379990677 FSSGRRQAIDHQAS-MNOVXSKESA-N 322.365 -0.001 30 20 DBED C[C@@H](C#N)C(=O)N(C)C[C@@H]1CCN(C(=O)CCn2cnnn2)C1 1388897489 XGFSUJBTAIDOJJ-RYUDHWBXSA-N 319.369 -0.470 30 20 DBED C[C@@H](CNC(=O)[C@@H](C)C#N)NC(=O)c1ccc(C(N)=O)cn1 1389411044 KTBSGVPECVYLJN-IUCAKERBSA-N 303.322 -0.425 30 20 DBED COC(=O)[C@@H]1C[C@@H]1C(=O)N(C)CCNC(=O)c1cc(C#N)c[nH]1 1397890302 HWPSMIYNVJGMRT-WDEREUQCSA-N 318.333 -0.116 30 20 DBED CC(C)NC(=O)CN1CC(N2CCN(C(=O)[C@H](C)C#N)CC2)C1 1402785083 UMQXOOFTVAVZFI-CYBMUJFWSA-N 321.425 -0.501 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1ccc2cccnn12 1410139686 QXKXEDZHDVTIOK-PWSUYJOCSA-N 315.333 -0.299 30 20 DBED Cn1c(=O)[nH]c(N[C@@H](Cc2ccccc2)C(N)=O)c(C#N)c1=O 1413885141 HMUANZYTNLMNNY-NSHDSACASA-N 313.317 -0.546 30 20 DBED CCN(CCC(=O)OC)C(=O)CCn1cc(C#N)c(O)nc1=O 1417615420 QJFXCMCSGMMMHY-UHFFFAOYSA-N 322.321 -0.378 30 20 DBED CCC(=O)NCC(=O)N[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 1427730921 JCSRAWYRFYNHQF-NSHDSACASA-N 317.349 -0.257 30 20 DBED C[C@H](C#N)C(=O)N[C@@H](CNC(=O)CCc1nc[nH]n1)C1CC1 1427892816 DLAREDKOLDAOMV-KOLCDFICSA-N 304.354 -0.092 30 20 DBED COC1(CC(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)CCC1 1428912296 NWGZDGNIJBPCAV-TUAOUCFPSA-N 309.366 -0.207 30 20 DBED Cc1ccnc(C(=O)NCCn2cc(C#N)c(O)nc2=O)n1 1434208863 YHNPSCFZCJGSND-UHFFFAOYSA-N 300.278 -0.651 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N1CC[C@]2(CCOC2=O)C1 1434648138 BIZGMSRIRGQDOL-JQWIXIFHSA-N 301.368 -0.038 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CCS(=O)(=O)C2)C1 1454338319 ZWAJBTUDIPXOKF-VLEAKVRGSA-N 313.379 -0.656 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H](O)CNC(=O)c2ccns2)c1 1457957475 DYBOVOQJEXSYJS-VIFPVBQESA-N 319.346 -0.136 30 20 DBED CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1cccc(C#N)n1 1461988435 QFGSLIHXLVEQIY-ZDUSSCGKSA-N 322.390 -0.312 30 20 DBED C#CCNC(=O)CN1CCC[C@H](NC(=O)c2ccc(O)nc2)C1 1481538846 LUYOBHVZWPEIRS-ZDUSSCGKSA-N 316.361 -0.269 30 20 DBED C[C@@H](C#N)C(=O)NC1CN([C@@H](C)C(=O)NC(=O)NC(C)(C)C)C1 1481551332 WQZXHOGPTPBDJT-UWVGGRQHSA-N 323.397 -0.041 30 20 DBED C[C@@H](C#N)C(=O)NCc1nc(O)cc(CNC(=O)C2CC2)n1 1489969234 CYEIWJIAZYQZEO-QMMMGPOBSA-N 303.322 -0.016 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)O)C[C@@H]2CO)cc1O 1574245226 IVWKHDWQRUARPL-GHMZBOCLSA-N 305.290 -0.036 30 20 DBED C=CC[C@@H](C(=O)OC)N1CC(S(=O)(=O)N2CCNCC2)C1 1574888024 GNZYRGFLSIVXAM-LBPRGKRZSA-N 317.411 -0.977 30 20 DBED C[C@H](C#N)C(=O)NCCN(C)c1ccncc1-c1nn[nH]n1 1602983628 KZEZEZVLTKNKNS-SECBINFHSA-N 300.326 -0.026 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@](C)(O)C=C 1752531969 HATZCGPNHYLIQY-JKIFEVAISA-N 319.405 -0.262 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2C[C@@H](NCCOCCO)C2)nc1 1752772865 OABSAWUPBWSEEN-OKILXGFUSA-N 303.362 -0.078 30 20 DBED C=CCNC(=O)[C@@H](C)N(C)CCNC(=O)[C@]1(F)CCOC1 1753061535 JXZLNTFYKFHSFS-RISCZKNCSA-N 301.362 -0.146 30 20 DBED C#CCNC(=O)CN(CC)CCNC(=O)[C@@H]1CCCN1CC#C 1753083385 BZYRHPINICLVIH-HNNXBMFYSA-N 318.421 -0.729 30 20 DBED N#CCSCC(=O)NC1CN(C[C@H]2CCc3ncnn32)C1 1753370434 FTBMKOAQIKQDLL-LLVKDONJSA-N 306.395 -0.177 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NC1CN([C@H](C)C(=O)N(C)C)C1 1753388197 MJUORBRAVOAXDS-RISCZKNCSA-N 324.425 -0.266 30 20 DBED COCCC1(C(=O)N(C)[C@H]2CCN(CC(=O)NCC#N)C2)CC1 1753435935 BLUBZDCSSHXJID-ZDUSSCGKSA-N 322.409 -0.024 30 20 DBED C=C(C)CN1CCO[C@H](CNC(=O)CCn2ncn(C)c2=O)C1 1753651064 GLXSXWWLGRGHDR-CYBMUJFWSA-N 323.397 -0.635 30 20 DBED COC1(CC(=O)N(C)C2CN(CC(=O)NCC#N)C2)CCC1 1754574448 SNDKTFQTDTWZRW-UHFFFAOYSA-N 308.382 -0.272 30 20 DBED COCC#CCN1C[C@H]2CN(C(=O)CCNC(N)=O)C[C@H]2C1 1754848265 YEIFLPINQLSLJT-BETUJISGSA-N 308.382 -0.915 30 20 DBED C[C@H]1C[C@H](NC(=O)C#CC2CC2)CCN1Cc1nc(=O)n(C)[nH]1 1755161557 XQPNIYBNWLSXSJ-WCQYABFASA-N 317.393 -0.009 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@H](C)N(C)C[C@@H](O)COC 1755304459 ZLPIFHURMUZXGT-KFWWJZLASA-N 311.426 -0.472 30 20 DBED C=CCNC(=O)[C@@H](C)NC[C@@H](O)CN(C)C(=O)c1ncc[nH]1 1755777431 JWDGYCDREZMTEE-GHMZBOCLSA-N 309.370 -0.877 30 20 DBED C#CCCNC[C@H](O)CN(C)C(=O)[C@@H](C)CN1CCOCC1 1755796846 UGGHYIJTRXXYCC-GJZGRUSLSA-N 311.426 -0.613 30 20 DBED C#CCNC(=O)CC(=O)NCC1CC(NC(=O)[C@@H]2CCCO2)C1 1755928667 UITBCYBLWXCTIX-BPCQOVAHSA-N 321.377 -0.684 30 20 DBED CC(C)C#CC(=O)NC[C@H](C)N(C)C(=O)C[C@H]1CC(=O)NC1=O 1756023919 FAYZCMKWSMGVGG-NWDGAFQWSA-N 321.377 -0.338 30 20 DBED CC#CCCCC(=O)N1CCO[C@@H]([C@H](C)NC(=O)CC(N)=O)C1 1756221033 SMNSYEIYJYSYGK-QWHCGFSZSA-N 323.393 -0.213 30 20 DBED C#CCOCCC(=O)N1C[C@H](O)[C@H](NC(=O)CCC2CC2)C1 1757163923 PKIDFPPMVOCJDT-KGLIPLIRSA-N 308.378 -0.096 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@H](NC(=O)[C@@H]2CCNC(=O)C2)C1 1757166321 VNOIUAVJNIDHKP-UPJWGTAASA-N 321.377 -0.996 30 20 DBED Cn1ncc(C(=O)O)c1C=NN=c1nc2[nH][nH]cc-2c(O)n1 1776042519 WPMVOWCOWDVOMB-UHFFFAOYSA-N 302.254 -0.690 30 20 DBED C=CCC(=O)N1CC[C@@]2(C1)CN(C(=O)CCNC(C)=O)CCO2 1783922364 VKORQVHTQKJXRP-MRXNPFEDSA-N 323.393 -0.081 30 20 DBED C=CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)NC=O)C[C@@H]21 1791277991 BBCGDXXOSJPPKL-XUXIUFHCSA-N 323.393 -0.323 30 20 DBED C[C@H](CN)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CC1)C2 1795513043 ZWILJPZXKLPONN-FVCCEPFGSA-N 320.393 -0.525 30 20 DBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1C[C@@H]1F)C2 1800778799 GWFPIXSDQYOSCH-KKSJPVRNSA-N 324.308 -0.978 30 20 DBED C#CCNC(=O)COC(=O)CNC(=O)c1cccc(OC)c1 7476008 UUINVQSVWRCJFV-UHFFFAOYSA-N 304.302 -0.282 30 20 DBED CS(=O)(=O)N1CCN(c2ncc([N+](=O)[O-])cc2C#N)CC1 57680900 ROEPYXUTXKPTON-UHFFFAOYSA-N 311.323 -0.057 30 20 DBED COCCNC(=O)CN1CCN(C(=O)C2(C#N)CCCC2)CC1 72885166 AHDSRWLUNOGSAW-UHFFFAOYSA-N 322.409 -0.023 30 20 DBED C[C@@H]1CCCCN1C/C(N)=N/OCc1cc(=O)n(C)c(=O)n1C 171891425 XTPWLKFBPHTUDB-LLVKDONJSA-N 323.397 -0.253 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(CC[C@@H]2CCOC2=O)c1=O 177567780 QNUOHPHLBMHQMR-LLVKDONJSA-N 321.333 -0.503 30 20 DBED C/N=C(/NCCNS(C)(=O)=O)N1CCSC(C)(C)C1 261817406 IDMSSUCJHLVHDF-UHFFFAOYSA-N 308.473 -0.062 30 20 DBED C=CCCCN1CCO[C@H](CN(CC(=O)O)S(C)(=O)=O)C1 262940038 NIWIBCLCVCGEQG-LBPRGKRZSA-N 320.411 0.000 30 20 DBED CCN(CCC#N)CC(=O)c1c(N)n(CCOC)c(O)nc1=O 266953149 UVMDNXXRKNRIDU-UHFFFAOYSA-N 323.353 -0.404 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccn(C)c2)C1=O 267019817 BYCAWAKGMBWVQO-UHFFFAOYSA-N 304.306 -0.382 30 20 DBED C#CCN(C(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)C1CC1 274018838 BKIBZVOYDWIMGX-YPMHNXCESA-N 324.402 -0.354 30 20 DBED COCCN1CC[C@H](NS(=O)(=O)c2ccc(C#N)nc2)C1 275682339 PLCOATIBLMQJBG-LBPRGKRZSA-N 310.379 -0.048 30 20 DBED CO/N=C/C(=O)NC[C@H](O)CS(=O)(=O)c1cccs1 289962455 YNSPHIWVNGDWSN-UGZWPXFQSA-N 306.365 -0.369 30 20 DBED C#CCN(C)CCCNc1nc2c(c(=O)nc(O)n2C)n1C 292861407 SEFQFBHYFNZKBD-UHFFFAOYSA-N 304.354 -0.260 30 20 DBED C[C@H](C/N=C(/O)N1CCN(C2CC2)C(=O)C1)N1CCOCC1 328713662 NXGLBWMVLRKYAH-GFCCVEGCSA-N 310.398 -0.072 30 20 DBED CN1CC[C@@H](N/C(O)=N/C[C@H]2CCCN2S(C)(=O)=O)C1=O 328787696 JPSJXKKNDBXIES-NXEZZACHSA-N 318.399 -0.855 30 20 DBED CC(C)(C/N=C(/O)N1CCS(=O)(=O)CC1)N1CCOCC1 328818772 HVESJKZQNAGPBP-UHFFFAOYSA-N 319.427 -0.258 30 20 DBED C[C@H](CN1CCOCC1)/N=C(/O)N1CCN2C(O)=NC[C@@H]2C1 329776545 OFEKJZMNCSQPAP-VXGBXAGGSA-N 311.386 -0.465 30 20 DBED C[C@@H]1CN(/C(O)=N/Cc2nnn(C)n2)CCN1CC(C)(C)O 330217716 ISWDOTYQLIXNGJ-SNVBAGLBSA-N 311.390 -0.599 30 20 DBED CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CC[C@@H](S(N)(=O)=O)C1 330634593 TYDCOYLTJJEEJW-NQBHXWOUSA-N 316.427 -0.208 30 20 DBED COC(=O)[C@H](O)C(C)(C)NS(=O)(=O)N(C)[C@H](C)CC#N 332518473 QJZFABDSDGYISE-BDAKNGLRSA-N 307.372 -0.633 30 20 DBED C[C@@H](CNS(=O)(=O)N1CCO[C@@H](C#N)C1)CN1CCCC1 336929015 XXPNCCSEGIVQOE-STQMWFEESA-N 316.427 -0.223 30 20 DBED C[C@@H]1C[C@H](NS(=O)(=O)N2CCO[C@@H](C#N)C2)CN1C1CC1 336949028 RDTJMZTWBNNOAT-MDZLAQPJSA-N 314.411 -0.330 30 20 DBED CCN(CCC#N)S(=O)(=O)N1C[C@H](O)C[C@@H]1C(=O)OC 337089756 ITZXHECZOHMEJW-NXEZZACHSA-N 305.356 -0.925 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC2CCC(O)CC2)C1=O 338119759 WYAIMASNJPAOPJ-UHFFFAOYSA-N 309.322 -0.617 30 20 DBED C=CC[C@@H](CO)CNC(=O)C(=O)Nc1cc(C)cn(C)c1=O 341434728 QUZPMGCARXFUSO-LLVKDONJSA-N 307.350 -0.067 30 20 DBED C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)NC1CC=CC1 349588840 GJVQJUQYKRVHRY-JTQLQIEISA-N 321.424 -0.154 30 20 DBED N#Cc1nccnc1NCCCCN1CCN(CCO)CC1 358210574 KCVYBLHEAOYEHK-UHFFFAOYSA-N 304.398 0.150 30 20 DBED CCN1CCO[C@H](C(=O)N(CCC#N)CCN2CCOCC2)C1 369680809 YWMZTAMCKMZAQH-HNNXBMFYSA-N 324.425 -0.218 30 20 DBED N#Cc1cncc(S(=O)(=O)NCc2cn(CC(=O)O)nn2)c1 390544822 CGGAIKQISHCZGZ-UHFFFAOYSA-N 322.306 -0.892 30 20 DBED COC(=O)C[C@@H](C)N1CCN(S(=O)(=O)[C@@H](C)C#N)CC1 416420603 WLSNQIJXHQNLMX-MNOVXSKESA-N 303.384 -0.203 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1C[C@@H](N)[C@H](c2cnn(C)c2)C1 424301835 WFFRBKRCCFXEHH-WCFLWFBJSA-N 320.397 -0.453 30 20 DBED C=CCn1cc(CNS(=O)(=O)CCCC(=O)OC)nn1 425179322 PPPBHGIMBPYJLM-UHFFFAOYSA-N 302.356 -0.163 30 20 DBED CN(C)S(=O)(=O)NCCNC(=O)N[C@@H]1CC[C@H](C#N)C1 425856130 DTXXQWSUFAYGPF-VHSXEESVSA-N 303.388 -0.626 30 20 DBED C#CCN1CCN(C(=O)CN2CC[C@@H](C)[S@@](=O)CC2)CC1 491675417 XGFLNJOVERRLNA-SZNDQCEHSA-N 311.451 -0.393 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N(CCO)[C@@H](C)CC(=O)O 515487543 JUJSPPWFOQXNQP-ZJUUUORDSA-N 307.372 -0.520 30 20 DBED C=CCN(CC(=O)O)S(=O)(=O)c1ccc(-n2cnnn2)cc1 548235296 GWTWUOHGRICFRK-UHFFFAOYSA-N 323.334 -0.076 30 20 DBED CNC(=O)NCCC(=O)N1CCN(c2cnccc2C#N)CC1 580542892 FERMSPQQQGDEGR-UHFFFAOYSA-N 316.365 -0.079 30 20 DBED CCNC(=O)CNC(=O)N1CCN(c2cnccc2C#N)CC1 589853126 ORIPYJHLFJFPNV-UHFFFAOYSA-N 316.365 -0.079 30 20 DBED N#Cc1cccc(NC(=O)N(CCO)[C@H]2CCS(=O)(=O)C2)n1 592265248 DWDPGUDWEVJEAY-NSHDSACASA-N 324.362 -0.033 30 20 DBED N#CCc1ccc(OC[C@@H](O)CNCC(=O)NCCO)cc1 592432109 OQPDDFMVDZYTNV-ZDUSSCGKSA-N 307.350 -0.810 30 20 DBED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CC[C@H](CN)C2)cc1 592468445 GPEBSHXFECTXAY-GFCCVEGCSA-N 322.390 -0.356 30 20 DBED Cn1cc(N2C[C@@H](C(=O)Nc3nc(C#N)c(C#N)[nH]3)CC2=O)cn1 600815827 HEFLWARNPJBLEG-QMMMGPOBSA-N 324.304 -0.122 30 20 DBED COCCN(CCC#N)S(=O)(=O)CCCN1CCOCC1 611524899 DGHYOAMYGSLFDI-UHFFFAOYSA-N 319.427 -0.099 30 20 DBED C=CCCOCC(=O)N1CCC(NS(=O)(=O)NC)CC1 651950613 HUKYFQSEJULGBI-UHFFFAOYSA-N 305.400 -0.376 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CC[C@@H](CO)CC2)C1=O 677437402 OXOUODKXCGRLRL-PHIMTYICSA-N 323.349 -0.370 30 20 DBED Cn1cc(C(=O)OCc2ccnc(C#N)c2)c(=O)n(C)c1=O 754721876 IXOLEIPHVZBOIP-UHFFFAOYSA-N 300.274 -0.292 30 20 DBED CNC(=O)[C@H](O)CNS(=O)(=O)c1cccc(Cl)c1C#N 757728799 QNLLFHOBGZUMCT-SECBINFHSA-N 317.754 -0.403 30 20 DBED C#CCCN1CCN(C(=O)CCC[C@]2(C)NC(=O)NC2=O)CC1 771833621 RYXGEBOPPFCCBH-INIZCTEOSA-N 320.393 -0.078 30 20 DBED C#C[C@@H](NS(=O)(=O)CCCN1CCOCC1)[C@H]1CCCO1 773054372 KDVBWNLOAWNKSJ-ZIAGYGMSSA-N 316.423 -0.191 30 20 DBED C=CCS(=O)(=O)CCNC(=O)NCCN1CCO[C@@H](C)C1 783204568 MPLNSUNBSRRGIX-LBPRGKRZSA-N 319.427 -0.393 30 20 DBED Cn1c(C=NOC[C@H]2CCOC2)nc2c1c(O)nc(=O)n2C 788032518 UJQVIAZSAXTONK-QMMMGPOBSA-N 307.310 -0.240 30 20 DBED C#CCN1CCN(C(=O)[C@H]2COCCN2CC(F)F)CC1 806621305 IMUCIROCVIFFMS-GFCCVEGCSA-N 301.337 -0.270 30 20 DBED C#CCCCNC(=O)C(=O)N1CCN(C(C)(C)C(=O)OC)CC1 806911525 MEUPZEWRUNFGQX-UHFFFAOYSA-N 323.393 -0.388 30 20 DBED CC#CCS(=O)(=O)NC(=O)[C@@]12CCC(=O)N1CCS2 810777174 WDPUBTITRJLYAR-NSHDSACASA-N 302.377 -0.479 30 20 DBED N#CCCn1ccc(NC(=O)C(=O)N2CCO[C@@H](C(=O)O)C2)n1 819090865 IQTVLCZCMNHIHD-SECBINFHSA-N 321.293 -0.953 30 20 DBED CCONC(=O)CNC(=O)N(C)CCCc1[nH]nc(N)c1C#N 845540519 QDXAQNHWPQKHEZ-UHFFFAOYSA-N 323.357 -0.495 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N1C[C@@H](CO)C[C@@H](C)C1 850712730 QEOLMOOBEZPCFZ-KGLIPLIRSA-N 310.394 -0.038 30 20 DBED Cn1cnc(NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1=O 888494198 NVQCCUMDTGLEFZ-NSHDSACASA-N 302.338 -0.016 30 20 DBED C#CCN(C(=O)c1cc(S(N)(=O)=O)cn1C)C1CSC1 912370852 GVNIEDFYSDIOAS-UHFFFAOYSA-N 313.404 -0.137 30 20 DBED C#CCN1CCN(C(=O)CN2CC[C@@H](C3OCCO3)C2)CC1 932005035 LILONKWBPYYFHG-CQSZACIVSA-N 307.394 -0.541 30 20 DBED C=CCN1CC[C@H](NC(=O)Cn2nc(C)n(C)c2=O)[C@@H](C)C1 944490945 IPCBNZKHHPXDGQ-AAEUAGOBSA-N 307.398 -0.097 30 20 DBED O=C(NC[C@H]1CN(C(=O)C#CC2CC2)CCO1)c1cnsn1 944495588 NHYFHNXKQWSLJN-NSHDSACASA-N 320.374 -0.091 30 20 DBED C=CC(C)(C)C(=O)N1CCO[C@@H](CNC(=O)[C@@H]2CCC(=O)N2)C1 944694717 MUZNIJCOSDECOF-RYUDHWBXSA-N 323.393 -0.179 30 20 DBED N#Cc1cc(C(=O)NC[C@H]2CCC[C@@H]2NC(=O)C(N)=O)c[nH]1 946293612 QDNUJZHGBOQPAS-KCJUWKMLSA-N 303.322 -0.614 30 20 DBED C[C@H](C#N)C(=O)N1CCOC2(CCN(CC(=O)N(C)C)CC2)C1 949052106 XHGBPWIRGZFZNL-CYBMUJFWSA-N 322.409 -0.072 30 20 DBED N#CCN1CCC2(CC1)CN(C(=O)[C@@H]1CCNC(=O)C1)CCO2 949070751 ZKISLUPSHPFWGS-CYBMUJFWSA-N 320.393 -0.270 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)[C@@]1(C)CCNC1=O)CCO2 949189529 YCMOKSZSOLJJTO-INIZCTEOSA-N 319.405 -0.161 30 20 DBED C[C@@H](C(=O)N(C)C1CN(C(=O)[C@H](C)C#N)C1)N1C(=O)CCC1=O 954490190 LQGYGDKPPNGUPE-ZJUUUORDSA-N 320.349 -0.647 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@@H](CNC(=O)c2c[nH]c(=O)cn2)C1 958355510 MDFCXDUXYXGPPF-WCQYABFASA-N 306.366 -0.241 30 20 DBED N#CCN1C[C@@H]2C(NC(=O)c3ccccc3OCC(N)=O)[C@H]2C1 960932004 QGUCMKHXMBDKEO-RYUDHWBXSA-N 314.345 -0.266 30 20 DBED C#CCN1CCC(C(=O)N2C[C@H](O)[C@H](NC(=O)CC)C2)CC1 961069831 YFKAIFFKGOXBIN-KGLIPLIRSA-N 307.394 -0.571 30 20 DBED CCn1ccc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)n1 963013938 YYZIULFKRTXLAE-JLLWLGSASA-N 305.338 -0.636 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1NC(=O)CN1CCOCC1 966402519 SVACNPNGEHWRIL-HIFRSBDPSA-N 319.405 -0.305 30 20 DBED C#CCCN1C[C@H]2CC[C@H]1CN2C(=O)CCn1ncn(C)c1=O 971634074 VJUUZLYYBIIERT-UONOGXRCSA-N 317.393 -0.330 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)[C@@H]3CCC(=O)N3C)C2)C1 972502817 VTXVPVGKWNTTFR-BBRMVZONSA-N 305.378 -0.456 30 20 DBED COCCn1cc(C(=O)NC[C@H]2[C@@H]3CN(CC#N)C[C@H]23)cn1 979044651 MBQWCWUCEDECKT-ZSOGYDGISA-N 303.366 -0.039 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)CN2CCOCC2)C1 990911775 WPHMVAYCDNVCPT-KGLIPLIRSA-N 323.393 -0.763 30 20 DBED C=C1CC(C)(C(=O)N2CC[C@H](NC(=O)c3cnn[nH]3)[C@@H](O)C2)C1 991589850 PULCZZGFDTXHFK-JQWIXIFHSA-N 319.365 -0.147 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CN(C(=O)C(C)(C)C(N)=O)C1 992027417 CJFFHEJYWDOTSJ-RYUDHWBXSA-N 323.393 -0.194 30 20 DBED C=C(C)CN[C@@H]1CN(C(=O)c2cn(CC(N)=O)nn2)CC1(C)C 996674706 VZWMVIQWMYXVIR-GFCCVEGCSA-N 320.397 -0.220 30 20 DBED N#CCN[C@@H]1CN(C(=O)Cn2cnnn2)CC[C@H]1C(F)(F)F 998220935 CGEVVGJDLKFWAC-RKDXNWHRSA-N 317.275 -0.434 30 20 DBED O=C(NCC1CN(C(=O)C#CC2CC2)C1)c1ccn2nnnc2c1 1003552958 WDASLNNDLOTGKJ-UHFFFAOYSA-N 324.344 -0.274 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2CN(C(=O)C(N)=O)CC[C@H]2C)nc1 1005093760 VQFSWPDLSBPMIO-MFKMUULPSA-N 314.345 -0.485 30 20 DBED C[C@@H]1CCN(C(=O)C#CC2CC2)C[C@H]1NC(=O)c1nnn(C)n1 1005143328 HWFYVLSMIROTTM-ZYHUDNBSSA-N 316.365 -0.410 30 20 DBED C#Cc1cncc(C(=O)N2C[C@H](NC(=O)C(N)=O)C(C)(C)C2)c1 1008531036 GPGVTEIIGQYJAC-LBPRGKRZSA-N 314.345 -0.485 30 20 DBED Cc1nc(CC(=O)N2CCN(C(=O)C#CC3CC3)CC2)n[nH]1 1011108438 VKGDZGYQXLXYFD-UHFFFAOYSA-N 301.350 -0.260 30 20 DBED C=C1CC(C)(C(=O)N2C[C@H]3C(NC(=O)[C@H]4CNC(=O)N4)[C@@H]3C2)C1 1013687391 ZFBNOCXTVAVPIB-GMTAPVOTSA-N 318.377 -0.403 30 20 DBED CC#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CN(C)C1=O 1018246368 MZMWRMBNZXEQJJ-BETUJISGSA-N 318.377 -0.421 30 20 DBED C[C@H](C#N)C(=O)N1CCCO[C@H](CNC(=O)c2cccnn2)C1 1019657835 YLGDXBXSMOPKCY-VXGBXAGGSA-N 317.349 -0.016 30 20 DBED Cn1cncc1C(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1024465931 RXUROMRUVDLXRC-DGCLKSJQSA-N 302.334 -0.865 30 20 DBED C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)Cn1cnc(C(N)=O)n1 1032412124 JOXIQCZSWVBHLZ-QWRGUYRKSA-N 304.354 -0.762 30 20 DBED CC#CCN1CCO[C@@H](CNC(=O)[C@H]2CCNC(=O)CC2)C1 1035459001 HFQRDTYAUYGIPI-KGLIPLIRSA-N 307.394 -0.257 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)C2CCN(C(N)=O)CC2)C1 1035601805 CFDGSSBIUPPLFW-ZDUSSCGKSA-N 308.382 -0.773 30 20 DBED C#CCCN1C[C@H]2C[C@H]1[C@H]2NC(=O)Cn1nc(C)ccc1=O 1037685095 YBRXWEPUVPLILO-WWGRRREGSA-N 300.362 -0.236 30 20 DBED C#CCN[C@H]1CCN(C(=O)CN2CCN(C)C(=O)C2)C[C@H]1CC 1037867523 CHRZCIBREYPCAX-CABCVRRESA-N 320.437 -0.390 30 20 DBED C#CCN[C@H]1CCN(C(=O)c2nnc(O)nc2O)C[C@H]1CC 1037887701 FXBJXTVMUWXXMF-ZJUUUORDSA-N 305.338 -0.254 30 20 DBED C#CCN[C@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C[C@@H]1CC 1037982045 IQBMOXYMTYCFQF-RYUDHWBXSA-N 318.381 -0.773 30 20 DBED Cn1nnc(CN2CC[C@H]2CNC(=O)c2ccc(C#N)[nH]2)n1 1038168522 LJLSGDKDTYNKMH-JTQLQIEISA-N 300.326 -0.586 30 20 DBED CC(C)C#CC(=O)NC[C@@]1(O)CCN(C(=O)c2ccn(C)n2)C1 1039668307 SKTZXVULIPNPPI-INIZCTEOSA-N 318.377 -0.227 30 20 DBED C[C@@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)C2=COCCC2)C1 1040759816 CYTMCYDGICGENX-XHDPSFHLSA-N 307.350 -0.080 30 20 DBED N#Cc1nccc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC3(F)F)C2)n1 1041012419 SAUWQLJPNHXZST-IWSPIJDZSA-N 309.276 -0.331 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)C(C)(F)F)C1 1041145579 AUBAVNLHDJGNDS-SECBINFHSA-N 304.293 -0.631 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2ccncc2)C1 1041174610 YXMMHRIZDXLMLJ-LBPRGKRZSA-N 317.345 -0.577 30 20 DBED N#Cc1cnc(N2C[C@@H](O)[C@H](NC(=O)c3ccns3)C2)cn1 1041189450 ZGFZNDBIPDUTIR-NXEZZACHSA-N 316.346 -0.216 30 20 DBED CSCCC(=O)NCC1(O)CN(C(=O)c2cc(C#N)c[nH]2)C1 1041372734 IJVGQFAZEVQAAW-UHFFFAOYSA-N 322.390 -0.057 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)[C@H](CC)OCC)C1 1042039707 IAEGIBKEYJHRDW-LBPRGKRZSA-N 314.382 -0.306 30 20 DBED C#CCN1CC[C@H]2CCN(C(=O)c3ccc(=O)n(C)n3)C[C@H]21 1042340606 HEBXMSMAALHJSL-GXTWGEPZSA-N 300.362 -0.050 30 20 DBED C=CCN1CC[C@H]2CCN(C(=O)c3cn(CC(N)=O)nn3)C[C@@H]21 1042367331 FVFVSQPEESLNEE-AAEUAGOBSA-N 318.381 -0.514 30 20 DBED C[C@H](C(=O)NCC1(O)CN(C(=O)CSCC#N)C1)C1CC1 1042372325 FPRVEVHFUBBOMM-JTQLQIEISA-N 311.407 -0.021 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(O)CN(C(=O)[C@@]23COC[C@@H]2C3)C1 1042812198 NELCVSCAPLOFCK-PJODQICGSA-N 324.377 -0.961 30 20 DBED O=C(C#CC1CC1)NCC1(O)CN(C(=O)c2cc[n+]([O-])cc2)C1 1042958376 MDJXVZHKWJAKTE-UHFFFAOYSA-N 315.329 -0.964 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)CN(C)C2CCC2)C1 1043532660 CKRGIKDTTUSLOK-UHFFFAOYSA-N 321.421 -0.180 30 20 DBED N#Cc1cncc(N2C[C@H](O)[C@H](NC(=O)Cc3cccnc3)C2)n1 1043911259 QXJYURCBBJEGSS-KGLIPLIRSA-N 324.344 -0.348 30 20 DBED C#CCN[C@@H]1CCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)[C@H](C)C1 1044762093 DNTAWPMFRYKJOB-GHMZBOCLSA-N 320.349 -0.991 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)c2ccc(F)nc2)C1 1045541543 XENAMCUMJSTQRA-VIFPVBQESA-N 306.297 -0.317 30 20 DBED C=C1CC(C)(C(=O)NCC2(O)CN(C(=O)c3[nH]nnc3C)C2)C1 1046311968 NQZNJYOOAGRDFA-UHFFFAOYSA-N 319.365 -0.227 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(O)(CNC(=O)[C@H]2CC23CC3)C1 1047141243 QQLRURHQKPLFSR-RISCZKNCSA-N 308.378 -0.197 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@@H](N(C)C(=O)[C@@]2(C)CCNC2=O)C1 1047526108 JUQORQMPSDDDCO-MJVIPROJSA-N 315.801 -0.231 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3c(cnn3C)c2)C1 1047576379 IHEGNIBUNGWIGI-KBPBESRZSA-N 313.361 -0.281 30 20 DBED C#CCOCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2ccc[nH]2)C1 1048226804 SSIYFSMBJJGRTC-KBPBESRZSA-N 319.361 -0.302 30 20 DBED C=CCOCC(=O)N[C@H](C)[C@H]1CCN(C(=O)CNC(C)=O)C1 1049828559 MIXCQWSNPUHQME-YPMHNXCESA-N 311.382 -0.322 30 20 DBED C#CCCN1C[C@@H]2CCCN(C(=O)[C@H]3CN(C)C(=O)N3)[C@@H]2C1 1050112605 BZMXPVNIJSNTOI-BFHYXJOUSA-N 304.394 -0.044 30 20 DBED N#CCN1CCOC[C@@H]1CNC(=O)c1cnc2[nH]cnc2c1 1050939380 IUWJDCADLLDQPH-NSHDSACASA-N 300.322 -0.088 30 20 DBED C#CCCN1CCOC[C@@H]1CNC(=O)c1cncc(C(N)=O)c1 1051247627 JZQPOHNHZBAYOP-AWEZNQCLSA-N 316.361 -0.366 30 20 DBED C#CCN1CCC[C@@H](NC(=O)CN2CCN(C)C(=O)C2)CC1 1052504212 ZKGVAAKWOBRXIZ-CQSZACIVSA-N 306.410 -0.636 30 20 DBED C#Cc1ccc(C(=O)N2C[C@H](C)[C@H](CNC(=O)C(N)=O)C2)cn1 1053088940 CXTFOQSIIKSCTR-CMPLNLGQSA-N 314.345 -0.628 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)C[C@H]1CCC(=O)N1)CCO2 1053468888 DIEQOXKUSSAJGY-CYBMUJFWSA-N 305.378 -0.408 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)[C@@H]3COCCN3CC)CO2)C1 1053853234 ZVUOMUPGJZSXLH-CABCVRRESA-N 321.421 -0.310 30 20 DBED C=C(C)CN1CC2(C[C@H](NC(=O)CN3C(=O)CNC3=O)CO2)C1 1054002618 CLMVOSBUXOBVDI-NSHDSACASA-N 322.365 -0.926 30 20 DBED C[C@@H]1CN(C(=O)Cn2nc3ccccn3c2=O)C[C@H]1NCC#N 1054952293 RUOGAFYLKDJINS-VXGBXAGGSA-N 314.349 -0.544 30 20 DBED C=CCCC(=O)N1C[C@H]2CN(C(=O)[C@H]3CNC(=O)N3)C[C@H]2C1 1055235524 ZKEVEKMGUJXJNY-GRYCIOLGSA-N 306.366 -0.449 30 20 DBED C[C@@H](C(=O)N1CCN(c2ccnc(C#N)n2)CC1)S(C)(=O)=O 1056072296 PMMLMRFJMHNQGB-JTQLQIEISA-N 323.378 -0.570 30 20 DBED N#Cc1nccc(N2C[C@H]3[C@H](NC(=O)C45CCN(CC4)C5)[C@H]3C2)n1 1056268836 XSTCMTUHCLJKDU-JYAVWHMHSA-N 324.388 -0.005 30 20 DBED N#Cc1cncc(N[C@@H]2CCN(C(=O)[C@H]3CCNC(=O)C3)C2)n1 1056599960 WFNJHYPFDHHQIZ-WDEREUQCSA-N 314.349 -0.113 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)CNC(=O)CCC 1057118525 KHPXWELIAYNXOH-UHFFFAOYSA-N 313.398 -0.194 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCN(CCO)C(=O)[C@@H](CC)OC 1057153956 NCGSAJNORVFTSP-IUODEOHRSA-N 316.398 -0.324 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)CCC(=O)NCC 1057170916 GXOFPYZJPNVSHS-UHFFFAOYSA-N 313.398 -0.194 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCN(CCO)C(=O)C#CC(C)C 1057517063 JMWXWRSCFOEDMZ-MRXNPFEDSA-N 310.394 -0.090 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)[C@H]1CCC(=O)NC1 1057524306 BHMCYOXYKLYSLA-ZDUSSCGKSA-N 323.393 -0.891 30 20 DBED N#Cc1cncc(N2CCC[C@H](NC(=O)[C@H]3CCNC3=O)C2)n1 1058221160 WNWFTPRWUQOHPC-JQWIXIFHSA-N 314.349 -0.431 30 20 DBED N#Cc1nccnc1N1CC[C@@H](NC(=O)[C@@H]2COC(=O)N2)C1 1058350002 BBWMOZRNKONROX-SCZZXKLOSA-N 302.294 -0.848 30 20 DBED COc1cc(C(=O)NCCN(CCO)C(=O)[C@H](C)C#N)nn1C 1058654600 BNPPMWXALQTUFI-SNVBAGLBSA-N 323.353 -0.861 30 20 DBED Cc1cc(C#N)nc(N[C@H]2CCN(C(=O)CS(C)(=O)=O)C2)n1 1058847831 OYWRAISERPMXEM-JTQLQIEISA-N 323.378 -0.286 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@H](CCNC(=O)C(N)=O)C2)cn1 1060026774 NJGAUZFDZRZCEU-NSHDSACASA-N 314.345 -0.483 30 20 DBED Cc1nc[nH]c1CC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H](C)C#N 1061847991 OITUPJSGHWINHF-JQWIXIFHSA-N 319.365 -0.236 30 20 DBED CN(CC1CCN(C(=O)C(N)=O)CC1)c1nccnc1C#N 1062228880 PYVOTCCIOGRGMI-UHFFFAOYSA-N 302.338 -0.492 30 20 DBED Cn1ncc(C(=O)N[C@@H]2[C@H]3C[C@H]2N(c2cncc(C#N)n2)C3)c1N 1064245008 HZZDKDSFIUGZRD-RLCGTCKNSA-N 324.348 -0.329 30 20 DBED COCCC(=O)N1CCO[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 1064705132 BYNPXNPEHMNONO-CYBMUJFWSA-N 320.349 -0.120 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CN(C(=O)CCn2ccnn2)CCO1 1065086676 BFQDCHLWRNCSRM-NEPJUHHUSA-N 320.353 -0.829 30 20 DBED C#CCCCC(=O)N1CCO[C@@H](CNC(=O)c2cnon2)C1 1065096052 VBDUPNAGBHVBEJ-NSHDSACASA-N 306.322 -0.170 30 20 DBED CC(C)C#CC(=O)N1CCO[C@H](CNC(=O)Cc2ncc[nH]2)C1 1065129430 QIDWTJCGDAMEID-CYBMUJFWSA-N 318.377 -0.045 30 20 DBED Cn1ncc(C(=O)N[C@@]2(C)CCN(c3ccc(C#N)nn3)C2)n1 1065264005 SHZPRCNYVDQROV-AWEZNQCLSA-N 312.337 -0.124 30 20 DBED C=CC(C)(C)C(=O)N1CCO[C@H](CNC(=O)CNC(N)=O)C1 1065420246 JELSKXCGJCKAFG-SNVBAGLBSA-N 312.370 -0.790 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCCN(C(=O)c2cnn[nH]2)CC1 1066167885 XITUOVQCIOMYHK-GFCCVEGCSA-N 319.365 -0.045 30 20 DBED N#Cc1cnc(N2C[C@@H](O)[C@H](CNC(=O)c3cocn3)C2)cn1 1067653508 LGMNKVSTOBLUAY-BXKDBHETSA-N 314.305 -0.437 30 20 DBED C#CCO[C@H](C)C(=O)N1CC2(C[C@@H](NC(=O)CCOC)CO2)C1 1068648067 JIUOGSBVMHEXEU-CHWSQXEVSA-N 324.377 -0.453 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2C[C@@H]3CN(CC(=O)N(C)C)C[C@]2(C1)O3 1070772278 GWRXRDQINMWHBS-BCUIYNNISA-N 320.393 -0.464 30 20 DBED C#CCCN1C[C@H]2C[C@@H]3CN(C(=O)[C@H]4CCC(=O)N4)C[C@@]3(C1)O2 1070775263 YSICYNYBCLUZRF-VMUDFCTBSA-N 317.389 -0.410 30 20 DBED C=CCN1C[C@H]2C[C@H]3CN(C(=O)[C@@H]4CC(=O)N(C)C4)C[C@@]3(C1)O2 1070806637 QTVXDEFQUYAEJR-UMPJEAMMSA-N 319.405 -0.048 30 20 DBED COc1cc(C(=O)N2CCC(=O)NCCN(CC#N)CC2)on1 1070955329 QZBIWXHADLWYNU-UHFFFAOYSA-N 321.337 -0.529 30 20 DBED C=C(Cl)CN1CC[C@]2(C1)CN(C(=O)C(N)=O)C[C@H](C)O2 1071206684 NUHSROWXZUPANM-GWCFXTLKSA-N 301.774 -0.084 30 20 DBED C[C@H]1CN(C(=O)CSCC#N)C[C@@H]1NC(=O)Cn1cncn1 1071658229 LUEOHLICYWZCRW-QWRGUYRKSA-N 322.394 -0.502 30 20 DBED CNC(=O)CC(=O)N1CC[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2CC1 1074322218 JAKCCYQDIFEGMJ-UPJWGTAASA-N 320.393 -0.021 30 20 DBED Cc1c[nH]nc1C(=O)NCC1(O)CCN(C(=O)[C@H](C)C#N)CC1 1074705278 PTAKFLIWXQIQPC-SNVBAGLBSA-N 319.365 -0.039 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H](C)CCNC(=O)c1ccc(O)nn1 1075511103 RDJFGLRMJIXSIN-WDEREUQCSA-N 320.349 -0.155 30 20 DBED C[C@@H](CCNC(=O)[C@H]1CCCNC1=O)NC(=O)C#CC1CC1 1076974111 KREUZNWQPIRRGF-AAEUAGOBSA-N 305.378 -0.063 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2c[nH]nc2[C@H]2CCOC2)C1 1077456009 RNOGGFNBMCOSAR-MVWJERBFSA-N 305.338 -0.788 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)C2(n3cnnn3)CCCCC2)C1 1077506596 CPSVWMSYUUBYLZ-CHWSQXEVSA-N 318.381 -0.873 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)c2cnn(CCN(C)C)c2)C1 1077817319 ZHTATTIIFCUZIL-ZIAGYGMSSA-N 307.398 -0.594 30 20 DBED CC(C)C#CC(=O)N1CCC2(CC1)CN(C(=O)C(N)=O)CCO2 1079144147 FCBOZNZEPGCASF-UHFFFAOYSA-N 321.377 -0.649 30 20 DBED C#CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)[C@@H]2CCC(=O)N2)C1 1079776383 GMOULCZIJHUULY-YPMHNXCESA-N 321.377 -0.637 30 20 DBED CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)[C@@H]2CCN(C)C2=O)C1 1080421592 KNTYQRKUKDPFRV-ZYHUDNBSSA-N 306.366 -0.316 30 20 DBED C[C@@H](C#N)C(=O)NC1(CO)CCN(C(=O)C2=CCOCC2)CC1 1080980119 KUPXGRYFWOOWMW-LBPRGKRZSA-N 321.377 -0.038 30 20 DBED C[C@@H](C#N)C(=O)NC1(CO)CCN(C(=O)c2cnn(C)c2)CC1 1080982168 VFMNNSVYCVOUNY-NSHDSACASA-N 319.365 -0.337 30 20 DBED N#Cc1ccc(C(=O)N2C[C@@H](O)[C@H](CNC(=O)C(F)F)C2)[nH]1 1081149856 NURCEAYPHYYYKD-GMSGAONNSA-N 312.276 -0.299 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)Cc2ccnn2C)C1 1081444478 JJYKQJHVUQSLAK-TZMCWYRMSA-N 320.393 -0.136 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)Cc2cnc[nH]2)C[C@@H]1O 1081444881 OHBFTSXIIXXBAD-OCCSQVGLSA-N 318.377 -0.309 30 20 DBED C=CC(C)(C)CC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cnn[nH]2)C1 1081589910 JVIMPJBFVIHVIZ-PWSUYJOCSA-N 321.381 -0.044 30 20 DBED CC(C)(C)C#CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2nc[nH]n2)C1 1081652950 HWEHVPUVKCBZBR-WDEREUQCSA-N 319.365 -0.597 30 20 DBED CC#CCN1C[C@@H](NC(=O)C(C)(C)N2CCOCC2)[C@H](OC)C1 1082241114 CAKKYOKCPYOOHV-HUUCEWRRSA-N 323.437 -0.064 30 20 DBED C#CCCN1C[C@@H](NC(=O)c2cc(C(N)=O)ccn2)[C@H](OC)C1 1082402655 ZUUTYSBVIIZINV-ZIAGYGMSSA-N 316.361 -0.367 30 20 DBED O=C1NCC[C@H]1N1C[C@H]2[C@@H](C1)OCCN2C(=O)C#CC1CC1 1083076921 KLJFGIQZMXNVAR-HZSPNIEDSA-N 303.362 -0.800 30 20 DBED C=CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CN1CCCNC1=O 1083130277 GYPPUKHVFRBBSB-UONOGXRCSA-N 322.409 -0.111 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCCCS2(=O)=O)C1 1083521753 GGTUDIAINWNXKH-AGIUHOORSA-N 314.407 -0.862 30 20 DBED Cn1cc([C@@H]2CN(C(=O)Cn3cncn3)C[C@H]2NCC#N)cn1 1087008616 PIARFTPCUZATNA-QWHCGFSZSA-N 314.353 -0.881 30 20 DBED N#CCN1CC[C@@H]2CN(C(=O)Cn3ccc(O)nc3=O)C[C@@H]2C1 1088031062 XMGVVKCJGCKZLT-NEPJUHHUSA-N 317.349 -0.747 30 20 DBED C=CCN1CC[C@@H](N2CC[C@@H]3CN(C(=O)C(N)=O)C[C@@H]3C2)C1=O 1088089013 XDDVLHPUWRLHTR-FRRDWIJNSA-N 320.393 -0.961 30 20 DBED C[C@@H]1CC[C@H](NC(=O)CNC(N)=O)CN1c1ccnc(C#N)n1 1089109391 HTEQNYVEXRXLKR-ZJUUUORDSA-N 317.353 -0.510 30 20 DBED C[C@H]1CC[C@H](NC(=O)CC(N)=O)CN1c1cncc(C#N)n1 1089128597 XPISREBGVCQTOM-UWVGGRQHSA-N 302.338 -0.303 30 20 DBED CN(C)CCn1ccc(C(=O)N[C@@H]2CCN(CC#N)C[C@H]2O)n1 1090272306 NVSJXBWENJXGMO-TZMCWYRMSA-N 320.397 -0.867 30 20 DBED C#CCCN1CC[C@@H](NC(=O)Cn2ccc(C)cc2=O)[C@@H](O)C1 1090608475 DZMXBTDLULHTNX-CABCVRRESA-N 317.389 -0.269 30 20 DBED C#CCN1CC[C@@H](NC(=O)Cn2ccc(C)cc2=O)[C@@H](O)C1 1090610153 QGRBECBDUIWPAB-KGLIPLIRSA-N 303.362 -0.659 30 20 DBED C=CCN1CC[C@@H](NC(=O)C2CCS(=O)(=O)CC2)[C@H](O)C1 1090610548 SIHDLUQEVZMTQL-CHWSQXEVSA-N 316.423 -0.451 30 20 DBED C=CCCC(=O)N[C@@H]1CN(c2cc(C)nc(CO)n2)C[C@@H]1O 1091075014 ORKNUZXNDPXPPY-NEPJUHHUSA-N 306.366 -0.091 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1C[C@@H](Nc2ccc3nnnn3n2)C1 1091323184 BJAXZVJGLOVCMN-LPEHRKFASA-N 300.326 -0.014 30 20 DBED N#Cc1ccc(N[C@H]2C[C@H](CNC(=O)Cn3nccn3)C2)nn1 1091482065 AFFAIQHQRGFULL-UMSPYCQHSA-N 312.337 -0.053 30 20 DBED Cc1ccc(C#N)c(N2C[C@H]3[C@H](NC(=O)CNC(N)=O)[C@H]3C2)n1 1093209961 JPRDACSYXGGHCA-PJXYFTJBSA-N 314.349 -0.519 30 20 DBED N#Cc1ccc(N2C[C@H]3[C@H](NC(=O)CCn4cnnn4)[C@H]3C2)nc1 1093294448 VVDLQGRKWWNPIK-JYAVWHMHSA-N 324.348 -0.419 30 20 DBED COC(=O)c1nc(=NCCNC(=O)CSCC#N)cc[nH]1 1093526470 HAHMTYXHYTUUMZ-UHFFFAOYSA-N 309.351 -0.530 30 20 DBED CC(C)(C)n1cc(C(=O)NCCN=c2cc[nH]c(C#N)n2)nn1 1094209667 JNPVJCZDUMEDOX-UHFFFAOYSA-N 314.353 -0.041 30 20 DBED C#CCCN1CCN(C(=O)[C@H](C)C#N)[C@@H]2CS(=O)(=O)C[C@@H]21 1094614837 QZGWLHSHSKYKDT-FRRDWIJNSA-N 309.391 -0.521 30 20 DBED Cc1c[nH]c(C(=O)N[C@H]2CC(=O)N(C3CN(CC#N)C3)C2)n1 1094792710 VAAJMYROEOOJEG-JTQLQIEISA-N 302.338 -0.743 30 20 DBED C=CCOCC(=O)N1CC[C@H](N(C)c2ccc3nnnn3n2)C1 1095096887 HHZWPMUWOOEVPB-NSHDSACASA-N 317.353 -0.241 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CCCN(c2nccn3nnnc23)C1 1096153191 WTXVWNNUXLYDAN-NXEZZACHSA-N 300.326 -0.236 30 20 DBED C=CC(C)(C)CC(=O)N[C@H]1CCN(Cc2nnnn2C)C[C@H]1O 1099850839 RPHNPDXVCNXQDQ-NWDGAFQWSA-N 322.413 -0.136 30 20 DBED CN(CCNC(=O)CN1CCOCC1)c1ncc(C#N)cc1F 1100026618 ZTGKBUQBWVCDKI-UHFFFAOYSA-N 321.356 -0.023 30 20 DBED C#CCN1CC[C@@H](NC(=O)CCNC(=O)C2CCC2)[C@H](O)C1 1100031419 FARPXLHMLDEDGD-ZIAGYGMSSA-N 307.394 -0.523 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCN(C)c1nccn2nnnc12 1100042843 PZZGGEMMOHAJRL-CYBMUJFWSA-N 305.342 -0.601 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CCCC(=O)N(C)C)[C@H](O)C1 1100077947 BACPVKHCGFFCIH-ZIAGYGMSSA-N 309.410 -0.180 30 20 DBED C#CCN1CC[C@H](NC(=O)COCc2cccnc2)[C@@H](O)C1 1100090326 SDUSCIXIOUKYMS-GJZGRUSLSA-N 303.362 -0.217 30 20 DBED CCCCS(=O)(=O)CC(=O)N[C@H]1CCN(CC#N)C[C@H]1O 1100130009 WZBKWZMLHGDHJS-NWDGAFQWSA-N 317.411 -0.724 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CCc2cn(C)nn2)[C@H](O)C1 1100147826 XTRFFNNMDUSTMN-ZIAGYGMSSA-N 305.382 -0.678 30 20 DBED CN(CCNC(=O)[C@@H]1CC[C@@H]1C(N)=O)c1ccc(C#N)nn1 1100268765 HQIDXUWQGVRIED-WDEREUQCSA-N 302.338 -0.588 30 20 DBED CN(CCNC(=O)c1ccc(C(N)=O)o1)c1cncc(C#N)n1 1100412062 IABXZONDQDBRRO-UHFFFAOYSA-N 314.305 -0.094 30 20 DBED COCC#CCNC1CC(CNC(=O)[C@H]2OCCO[C@H]2C)C1 1100416155 NAGWPPJTRZAHRB-PPWQZUPISA-N 310.394 -0.076 30 20 DBED CC#CCNC1CC(CNC(=O)CCCn2c(O)nnc2O)C1 1100463433 DGROCSQSPQHEQY-UHFFFAOYSA-N 321.381 -0.023 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)c1cnc2cccnn12 1101987569 YFFADDXOHXRCIS-UHFFFAOYSA-N 322.332 -0.003 30 20 DBED C#CCN1C[C@@H](C)[C@H](CNC(=O)CCn2cc[nH]c(=O)c2=O)C1 1102470193 QJWHAZUGOZYHKV-CHWSQXEVSA-N 318.377 -0.756 30 20 DBED N#Cc1cnc(N2CCC[C@@H](CCNC(=O)CC(N)=O)C2)cn1 1102906014 RUHPZHGPJSCLNZ-NSHDSACASA-N 316.365 -0.054 30 20 DBED CC[C@@H](CNC(=O)[C@H]1COCCN1C)Nc1cncc(C#N)n1 1103036755 QVTRJXHLGQCMMA-WCQYABFASA-N 318.381 -0.014 30 20 DBED CCn1cc(C(=O)NC[C@@H](C)CN=c2cc[nH]c(C#N)n2)nn1 1104064140 STOJZMHXWQKWIO-JTQLQIEISA-N 314.353 -0.140 30 20 DBED C=CCNCc1cn(C2CN(C(=O)[C@H](COC)OC)C2)nn1 1105323697 GHDPHXDDTWSARF-ZDUSSCGKSA-N 309.370 -0.402 30 20 DBED C#CCNCc1cn(C2CN(C(=O)c3cnn4cc[nH]c34)C2)nn1 1105368054 OARCUADRHSXYEY-UHFFFAOYSA-N 324.348 -0.326 30 20 DBED CCn1ccnc1C(=O)NC[C@@H](O)CNc1cnc(C#N)cn1 1105801900 FCYBDEDAPIJRML-NSHDSACASA-N 315.337 -0.233 30 20 DBED CN1CCOC[C@H]1C(=O)NC[C@@H](O)CNc1ccc(C#N)nc1 1105829090 PABQHSRGXJIEMQ-KBPBESRZSA-N 319.365 -0.827 30 20 DBED N#Cc1nccnc1NC[C@@H](O)CNC(=O)Cn1ccnc1 1105881904 BJJCFWOQFQPYSH-JTQLQIEISA-N 301.310 -0.866 30 20 DBED Cc1ocnc1C(=O)N1C[C@@H](C)[C@H](CNCC(=O)NCC#N)C1 1105891214 XKAJSQCUVCSFKF-ZYHUDNBSSA-N 319.365 -0.080 30 20 DBED CCc1nc[nH]c1C(=O)NC[C@@H](O)CN=c1cc[nH]cc1C#N 1105922074 MWBINVSYOSTTHF-NSHDSACASA-N 314.349 -0.137 30 20 DBED CCn1cc(C(=O)NC[C@H](O)CNc2cnc(C#N)cn2)nn1 1105954271 SBAARLCHQHOKOF-SNVBAGLBSA-N 316.325 -0.838 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H](O)CNc1nc(C)cc(C#N)n1 1105970791 MYCNRHDAKAFWGE-DGCLKSJQSA-N 317.349 -0.416 30 20 DBED C[C@@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)[C@@H]1COCCN1C 1106277433 GGDRKCWHORNQCD-RYUDHWBXSA-N 318.381 -0.593 30 20 DBED CCc1nc(C#N)cc(NC[C@@H](C)NC(=O)CNC(C)=O)n1 1107615472 IYQVHTKVGFOPCS-SECBINFHSA-N 304.354 -0.037 30 20 DBED C[C@H](CNc1ccc(C#N)nn1)NC(=O)CN1CCOCC1 1107710829 HEUDEUSOYONTKJ-LLVKDONJSA-N 304.354 -0.403 30 20 DBED Cn1cc(C(=O)NC[C@]2(C)CN(CC#N)CCO2)ccc1=O 1108048427 ULDPCTRSNORXNR-OAHLLOKOSA-N 304.350 -0.270 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)c2ccoc2CC(N)=O)C1 1108162541 VUSMJQPZDXGBKX-MRXNPFEDSA-N 319.361 -0.239 30 20 DBED C[C@H](CNc1ccc(C#N)nn1)NC(=O)[C@H]1CN(C)C[C@@H](C)O1 1108191024 VDSRRWBZZZYEQH-NQBHXWOUSA-N 318.381 -0.016 30 20 DBED C=CCN1CCO[C@@](C)(CNC(=O)CS(=O)(=O)N(C)C)C1 1108372595 LGAHDLIEEGOFDA-ZDUSSCGKSA-N 319.427 -0.729 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)[C@H](OC)C3CCC3)CC2=O)C1 1108558992 LJCHPNQNKJSYLD-XJKSGUPXSA-N 319.405 -0.164 30 20 DBED C[C@@H](CN(C)c1cncc(C#N)n1)NC(=O)CCn1ccnn1 1108917603 ISKLEDOAUYURRO-NSHDSACASA-N 314.353 -0.029 30 20 DBED N#Cc1nccnc1NCCN(CCO)C(=O)c1ncccn1 1111500921 ATHMPXXAKUBRAV-UHFFFAOYSA-N 313.321 -0.315 30 20 DBED CNC(=O)CC(=O)N[C@H]1CCCN(c2nccnc2C#N)CC1 1111984376 XSWBIHFMYFRJDB-NSHDSACASA-N 316.365 -0.041 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCCN(C)c1nccn2nnnc12 1112061557 DAFOVIJTNXDIDS-JTQLQIEISA-N 302.342 -0.036 30 20 DBED CCNC(=O)CC(=O)N1C[C@H](C)[C@@H](N=c2cc[nH]c(C#N)n2)C1 1112310671 QLCCSZOMKXKQFM-QWRGUYRKSA-N 316.365 -0.445 30 20 DBED C[C@]1(C(=O)N2CCN(CC(=O)NCC#N)CC2)C[C@H]2CC[C@H]1O2 1112857163 ZFWQOPVMBTVJDC-IOASZLSFSA-N 320.393 -0.272 30 20 DBED C[C@@H](CNC(=O)c1nccnc1N)N(C)c1nccnc1C#N 1113525713 DGTRKODIMCZXTR-VIFPVBQESA-N 312.337 -0.025 30 20 DBED C[C@@H](CNC(=O)Cn1cnnc1O)N(C)c1ncccc1C#N 1113568765 NNFFPEDGOFOFNA-JTQLQIEISA-N 315.337 -0.109 30 20 DBED C=CCCCN1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)CC1 1113639145 VLGUWVCOICAYGV-GFCCVEGCSA-N 301.412 -0.212 30 20 DBED C[C@@H](CNC(=O)[C@H](C)CC(N)=O)N(C)c1cnc(C#N)cn1 1113799306 BRGKLHTUECVHIH-ZJUUUORDSA-N 304.354 -0.199 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)C[C@H]3CCCO3)[C@@H]2C1 1113913635 QAZNUKGZFGJNGG-JHJVBQTASA-N 305.378 -0.649 30 20 DBED C#CCOCCC(=O)NC1[C@@H]2CN([C@H]3CCN(C)C3=O)C[C@@H]12 1114269033 VGMKHXJSENKUGB-UPJWGTAASA-N 305.378 -0.697 30 20 DBED N#Cc1nccc(N2C[C@H]3C(CNC(=O)Cn4nccn4)[C@@H]3C2)n1 1114580769 SWBFZOIUICVBRN-RYUDHWBXSA-N 324.348 -0.562 30 20 DBED Cc1ncccc1C(=O)NC1[C@H]2CN(CC(=O)NCC#N)C[C@H]12 1114743787 QISIOZYDADRZSB-STQMWFEESA-N 313.361 -0.310 30 20 DBED C=CCN1CC[C@@H](N2C[C@H]3[C@H](NC(=O)CCN(C)C)[C@H]3C2)C1=O 1114778119 FPPOAVYKZBBXLN-CTASWTNQSA-N 320.437 -0.229 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)[C@H](CC)N(C)C)[C@@H]2C1 1114849156 LKNYTOJYOTZHLZ-UPJWGTAASA-N 306.410 -0.878 30 20 DBED C#CCN1C[C@H]2[C@H](NC(=O)[C@@H](NS(C)(=O)=O)C(C)C)[C@H]2C1 1114943066 RBTWGMURUMHKRJ-QNWHQSFQSA-N 313.423 -0.760 30 20 DBED C=CCCOCC(=O)NC1[C@@H]2CN(CC(=O)NC(=O)NC)C[C@@H]12 1115326773 SSUKQSHCSHQREF-GHMZBOCLSA-N 324.381 -0.919 30 20 DBED Cc1c(C(=O)N(C)C[C@H](C)N=c2cc[nH]c(C#N)n2)nnn1C 1115667628 NPZLSUSGGLPKIX-VIFPVBQESA-N 314.353 -0.220 30 20 DBED CC(C)(C=NN1C(=O)[C@@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C1=O)S(C)(=O)=O 1119072424 GPSWMZXPKYNLKT-KYXWUPHJSA-N 312.347 -0.266 30 20 DBED Cc1cc(=N[C@@H](CO)CNC(=O)[C@@H]2CCCO2)c(C#N)c[nH]1 1121184885 WDJYAMVINBCYLC-OCCSQVGLSA-N 304.350 -0.248 30 20 DBED Cc1nc(N[C@H](CO)CNC(=O)[C@H]2CCC(=O)N2)ccc1C#N 1121235399 NLVBSOYKAHDDOW-NWDGAFQWSA-N 317.349 -0.571 30 20 DBED Cn1cnc(C(=O)NC[C@H](CO)Nc2cncc(C#N)n2)c1 1121302965 KCFNIKKXTPBMCA-SNVBAGLBSA-N 301.310 -0.715 30 20 DBED CCNC(=O)CC(=O)NC[C@@H](CO)Nc1nc(C)ccc1C#N 1121465690 UBNLTZSFKVKWFI-LBPRGKRZSA-N 319.365 -0.323 30 20 DBED C#CCN1CCN(c2nnc(C[N+](=O)[O-])n2CCOC)CC1 1122328868 XWXZTANQQABTHS-UHFFFAOYSA-N 308.342 -0.544 30 20 DBED CN1C(=O)CC[C@H]1C(=O)NC[C@H](CO)Nc1ncccc1C#N 1122334447 URNGSWXHWWWAPM-NEPJUHHUSA-N 317.349 -0.537 30 20 DBED C=CCn1cc(C(=O)NC[C@@H](CO)Nc2nccc(C)n2)nn1 1122634488 AIHCGBSNSSZUEM-NSHDSACASA-N 317.353 -0.235 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C[C@H](O)CNc1cc(F)ncn1 1124520738 WMLCOXYMWFDYGG-GHMZBOCLSA-N 310.329 -0.115 30 20 DBED CC(C)(C)C#CC(=O)NCCNC[C@H](O)CN1C(=O)CCC1=O 1126916300 SLHJWUKLJCHNCT-LBPRGKRZSA-N 323.393 -0.748 30 20 DBED N#Cc1cnc(N2CC=C(CNC(=O)Cn3nccn3)CC2)cn1 1127699960 POEAYLVMLQAYPD-UHFFFAOYSA-N 324.348 -0.107 30 20 DBED C=CCN1CCn2ncc(CNC(=O)Cn3nccn3)c2C1 1128366699 KICYZHXHCAIMQQ-UHFFFAOYSA-N 301.354 -0.207 30 20 DBED C=CCC[C@@H](C)NCCNC(=O)Cn1ccc(=O)n(C)c1=O 1128763625 DVIUOEAXDNJQJB-GFCCVEGCSA-N 308.382 -0.393 30 20 DBED COCC1(CC(=O)N[C@@H]2CN(CC#N)C[C@@H]2n2ccnn2)CC1 1128979867 CUYSRDZHGUQFFJ-OLZOCXBDSA-N 318.381 -0.040 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)c2cc3n(n2)CCO3)C1=O 1129558377 WJGOFOHSYLZOSE-LLVKDONJSA-N 319.365 -0.618 30 20 DBED C=CCCN[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@@H]1n1ccnn1 1130037946 DLCCUEYWPDZMNY-OLZOCXBDSA-N 316.369 -0.362 30 20 DBED CN(C)C(=O)CC(=O)N1C[C@@H]2C[C@@H]3CN(CC#N)C[C@]2(C1)O3 1131273344 GVDSYNICRJFMDJ-YWPYICTPSA-N 306.366 -0.710 30 20 DBED COCC#CCN1CCNC(=O)CCN(C(=O)[C@H]2C[C@H]2C)CC1 1131323172 SICMAPSJHNISJT-CABCVRRESA-N 321.421 -0.057 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC(=O)NCCN(CC#N)CC1 1131364837 ZAKXUWLPXMTWBS-CYBMUJFWSA-N 306.366 -0.801 30 20 DBED C[C@H]1CC[C@H](NC(=O)CCn2cc[nH]c(=O)c2=O)CN1CC#N 1132355157 VDEXVQINLFAGSP-RYUDHWBXSA-N 319.365 -0.581 30 20 DBED C#CCNC[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)CC[C@@H]1C 1132927521 GFRGHBMVTGUKCS-QWHCGFSZSA-N 305.382 -0.711 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)c1ccnn1C 1133872520 WBOFSGZKKLNFAX-RYUDHWBXSA-N 305.382 -0.344 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)COCc1ccncc1 1135752981 VSZIMGDBRRKWOB-CYBMUJFWSA-N 320.393 -0.005 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)[C@H]1CCCC(=O)N1 1153947970 KXOHKTAHSWWKQP-VXGBXAGGSA-N 323.397 -0.879 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1cn2c(n1)CCC2 1158318518 GJBJPBKGVLCYGX-UHFFFAOYSA-N 303.366 -0.712 30 20 DBED COCC#CCN(C)C[C@H]1CCCCN1C(=O)[C@H]1CNC(=O)N1 1158419114 KSNACJOGDHHJQU-ZIAGYGMSSA-N 322.409 -0.370 30 20 DBED C=CCNC(=O)NC(=O)CNCCCNC(=O)c1cncn1C 1161913855 RVHPQXYXMZOHIP-UHFFFAOYSA-N 322.369 -0.859 30 20 DBED CC(C)C#CC(=O)NCCC1(CNCC(=O)NC(N)=O)CC1 1164464286 RAGLMYHAWWJCRI-UHFFFAOYSA-N 308.382 -0.283 30 20 DBED C[C@@H](Oc1cccnc1)C(=O)NCCCNCC(=O)NCC#N 1166350156 HILFFBQFZYREQT-GFCCVEGCSA-N 319.365 -0.415 30 20 DBED N#CCNC(=O)CNCCCNC(=O)COc1cccnc1 1168442772 YZTPZBMDXPZHFX-UHFFFAOYSA-N 305.338 -0.804 30 20 DBED N#CCNC(=O)CNCCCNC(=O)c1cn(CC2CC2)nn1 1169530614 FVUROGFYXKIKTB-UHFFFAOYSA-N 319.369 -0.963 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@@H](CCC)NC(N)=O 1174645815 YDIHQSQIFMZESW-LLVKDONJSA-N 313.402 -0.779 30 20 DBED Cn1cncc1CCC(=O)NCCCNCC(=O)NCC#N 1175003046 NVRUFJDCLDDAJR-UHFFFAOYSA-N 306.370 -0.912 30 20 DBED C=CCCOCC(=O)NCCCN[C@@H](C)C(=O)NC(N)=O 1177260047 CHKNWUKQKRQSCW-JTQLQIEISA-N 300.359 -0.742 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)CC)CC12CCOCC2 1186203343 INZARCOQDQLDFW-CQSZACIVSA-N 321.421 -0.009 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H]2CCN(C(=O)c3ccon3)[C@@H]2C1 1187046307 ACYQQZUYIYTVBJ-SGMGOOAPSA-N 316.361 -0.041 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)c2cncc(C(N)=O)c2)C1 1187887747 NQYMDOSVGBLZFX-CQSZACIVSA-N 316.361 -0.366 30 20 DBED C=CCOCCN1C[C@@H]2CCN(C(=O)Cn3ncnn3)[C@@H]2C1 1187930278 PRIQQXOZEJNYSE-QWHCGFSZSA-N 306.370 -0.592 30 20 DBED CC#CCN1C[C@@H]2CCN(C(=O)CCCS(N)(=O)=O)[C@@H]2C1 1188991593 HKUVINJGLGHMFV-QWHCGFSZSA-N 313.423 -0.389 30 20 DBED C=C(C)CN(C)[C@@H]1CCN(C(=O)[C@H](CCC(N)=O)NC(C)=O)C1 1192879061 SVFYGBIDXCSGRF-KGLIPLIRSA-N 324.425 -0.135 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(C)cc2=O)C1 1197433023 CIOTZLFUEPCVLI-UKRRQHHQSA-N 321.377 -0.339 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)[C@@H]2COCCN2C)CCCO1 1200313506 YSJCIWFNERNBSM-CABCVRRESA-N 309.410 -0.453 30 20 DBED C#CCNC(=O)[C@H](C)NC1CCN(C(=O)c2cnnn2C)CC1 1200349139 JNIPFJJFNJDOGQ-NSHDSACASA-N 318.381 -0.853 30 20 DBED CCN1CCOC[C@@H]1C(=O)N1CCCO[C@H](CNCC#N)C1 1200859601 OEYZQAPUPFKZBY-ZIAGYGMSSA-N 310.398 -0.562 30 20 DBED COCC#CCNC1CCN(C(=O)C[C@H]2CCNC2=O)CC1 1201028055 FDIRLRWKCJDCSQ-CYBMUJFWSA-N 307.394 -0.257 30 20 DBED COCC#CCNC[C@H]1CN(C(=O)C2(C(N)=O)CC2)CCCO1 1201292540 HHEAXAGZMJKMOR-ZDUSSCGKSA-N 323.393 -0.891 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)CCN2CCOCC2)CCCO1 1201639141 HDUXULQBLRNEPP-MRXNPFEDSA-N 323.437 -0.061 30 20 DBED N#CCNC[C@H]1CN(C(=O)CNC(=O)C2CCC2)CCCO1 1202146815 AXKBSTXAKAIJCD-ZDUSSCGKSA-N 308.382 -0.367 30 20 DBED N#CCNC(=O)CNC1CCN(C(=O)[C@@H]2C[C@@]23CCOC3)CC1 1203229380 ORMOWYAPDXFGOM-XJKSGUPXSA-N 320.393 -0.367 30 20 DBED C=CCCOCC(=O)N1CCC(N[C@H]2CCC(=O)NC2=O)CC1 1204021411 ACIPAZBYMHUVQY-ZDUSSCGKSA-N 323.393 -0.035 30 20 DBED C#CCNC(=O)[C@H](C)NC1CCN(C(=O)CCCC(N)=O)CC1 1204075638 BMXUJAAMVNSURM-LBPRGKRZSA-N 322.409 -0.640 30 20 DBED C[C@@H]1CCO[C@@H]1C(=O)N1CCC(CNCC(=O)NCC#N)CC1 1206320349 WDKBOFVGCLSKHB-DOMZBBRYSA-N 322.409 -0.121 30 20 DBED C#CCNCC1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)CC1 1206459389 FJPREJZUJPFQFE-UHFFFAOYSA-N 318.377 -0.841 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCCN(C(=O)c2ccnn2C)C1 1207604061 XEBZNRZOJVZYMJ-STQMWFEESA-N 317.393 -0.248 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)C[C@@H]2CCOC2)C1 1207729076 QVMOVMDGAAAQKT-UONOGXRCSA-N 307.394 -0.257 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)C[C@H]2CCNC2=O)C1 1208325325 MISRRTQVRNHVFA-OLZOCXBDSA-N 322.409 -0.605 30 20 DBED N#CCNC(=O)CN[C@H]1CCCN(C(=O)c2csnn2)C1 1208806226 IXXYFNWRBOSCES-VIFPVBQESA-N 308.367 -0.628 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)C[C@H](C)COC)[C@H](C)C1 1209895322 CWCOOTVADBXQKT-BFHYXJOUSA-N 309.410 -0.155 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)C[C@H]2CCN(C)C2)[C@H](C)C1 1210276887 MZGXZCQNLJJPHU-RBSFLKMASA-N 320.437 -0.486 30 20 DBED C#CCCN1C[C@@H](NC(=O)C(=O)NCC(F)F)[C@H](OC)C1 1212497160 IVTMDSJXFGMHHX-NXEZZACHSA-N 303.309 -0.794 30 20 DBED C#CCN1C[C@@H](NC(=O)CCCCc2cnn[nH]2)[C@H](OC)C1 1213217042 GJBICOQIABWLCS-ZIAGYGMSSA-N 305.382 -0.034 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1C 1214543920 UBIWLCWPOPYCLN-IJLUTSLNSA-N 320.397 -0.444 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2cccnn2)C[C@H]1C 1216036136 SZIJDFKUVSIVSB-MBNYWOFBSA-N 315.377 -0.335 30 20 DBED COCC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CCN(C)C1 1219032123 QSKLRBAHHMPNHQ-HRCADAONSA-N 321.421 -0.501 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)CCCNC(=O)C(C)(C)C)C1 1220112724 YDSQOWOFVRVUPQ-OLZOCXBDSA-N 309.410 -0.277 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)COCc2nc(CC)no2)C1 1220731991 GKBJKXYNBJFPKN-NEPJUHHUSA-N 324.381 -0.114 30 20 DBED C=CCN1CCC(CNC(=O)CN2CCN(C)C(=O)C2)CC1 1223669909 WRLWYMQTSPLGBR-UHFFFAOYSA-N 308.426 -0.225 30 20 DBED N#CCNC(=O)CN1CCC(CNC(=O)c2cnco2)CC1 1223981295 QDUWVSVXHVJEIG-UHFFFAOYSA-N 305.338 -0.244 30 20 DBED C=CCN1CC[C@@H](N2CCC(NC(=O)CNC(C)=O)CC2)C1=O 1225823390 FNPAOCWIRBGJCP-CQSZACIVSA-N 322.409 -0.510 30 20 DBED C[C@H](O)C[C@H]1COCCN1C(=O)C(=O)NCC1(CC#N)CC1 1256791923 MFCOEZBAKJGIKP-RYUDHWBXSA-N 309.366 -0.205 30 20 DBED C=CCn1c([C@H](C)CO)nnc1N1CCN(C(=O)COC)CC1 1262976491 ISJMYBGMNUBJJJ-GFCCVEGCSA-N 323.397 -0.145 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC[C@H](NC(=O)Cc2cnoc2)C1 1316948991 JXXIXJJZINKUQB-OCCSQVGLSA-N 318.377 -0.064 30 20 DBED CC(C)[C@](C)(NC(=O)CCN/C(O)=C1\N=CC=CC1=O)C(N)=O 1324301381 ZUUKJGIYGSTGOP-LHNRBYRGSA-N 322.365 -0.081 30 20 DBED CO[C@]1(CNC(=O)C(=O)Nc2cccc(C#N)n2)CCOC1 1326036890 BMFBNICUONNMAD-AWEZNQCLSA-N 304.306 -0.187 30 20 DBED CCCCN(CCCO)C(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1327040695 VBGNETYTIRJJDF-HNNXBMFYSA-N 311.382 -0.125 30 20 DBED CC(=O)N1CC[C@@H](NC(=O)C(=O)N2CCC(CC#N)CC2)C1 1329559930 ZKPAXIMHXYLONF-CYBMUJFWSA-N 306.366 -0.124 30 20 DBED C#C[C@H](NC(=O)C(=O)NC[C@@]1(OC)CCOC1)[C@@H]1CCCO1 1329834117 LZDMZAQWCRJHDS-HUBLWGQQSA-N 310.350 -0.795 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@H]1CCN(CC)C1=O)[C@@H]1CCCO1 1331029581 LSIDLILIEFGEAA-SRVKXCTJSA-N 307.350 -0.980 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)NCCNC(=O)C(C)C 1331114404 HDHABDVITWYTMJ-GFCCVEGCSA-N 311.382 -0.581 30 20 DBED CCNCCCNC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1331307393 YDWHFTKFULWKSH-CYBMUJFWSA-N 307.398 -0.699 30 20 DBED O=C(NCC#CCO)N1CCC[C@@]2(CCS(=O)(=O)C2)C1 1334341016 IOYQDYHBAUBFCH-CYBMUJFWSA-N 300.380 -0.408 30 20 DBED COCCNC(=O)[C@H](C#N)C(=O)[C@H](C)Sc1nncn1C 1342520068 MADPCIBTPFLZSV-DTWKUNHWSA-N 311.367 -0.233 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CCOC2(CCOCC2)C1 1343070224 PQBDWIZBBORMMY-GFCCVEGCSA-N 312.366 -0.288 30 20 DBED C#CC1CCN(C(=O)C(=O)N2CCN(CCC#N)CC2)CC1 1351921782 UXPCVSLLOKRDLK-UHFFFAOYSA-N 302.378 -0.084 30 20 DBED N#Cc1ccc(NCC(=O)N2CCC[C@H](S(N)(=O)=O)C2)nc1 1362605103 SCJXAFRFPCNUFL-NSHDSACASA-N 323.378 -0.355 30 20 DBED CCNC(=O)C(C)(C)NC(=O)CCn1cc(C#N)c(O)nc1=O 1362982623 NEYRDEWOBRJXPR-UHFFFAOYSA-N 321.337 -0.758 30 20 DBED CNS(=O)(=O)C1CCN(S(=O)(=O)CC(C)(C)C#N)CC1 1363910825 CVGPKEVBCJLHLI-UHFFFAOYSA-N 323.440 -0.120 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CCC[C@@H](NC(=O)NC)C1 1364969025 RQEVWEGVVBJVCA-LLVKDONJSA-N 317.415 -0.140 30 20 DBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)NC[C@@H]1CNC(=O)C1 1365406676 QRVYNZTVNPKDGW-VIFPVBQESA-N 319.369 -0.426 30 20 DBED C[C@H](C#N)C(=O)NC[C@@](C)(NC(=O)c1cnnn1C)C1CC1 1375352962 KUKZOXIOOALBBU-YMTOWFKASA-N 304.354 -0.011 30 20 DBED C[C@@H](CNC(=O)c1ccc(C#N)[nH]1)NC(=O)CCc1nc[nH]n1 1386225630 PIOAIDHYZNCUML-VIFPVBQESA-N 315.337 -0.128 30 20 DBED Cc1nc(CC(=O)NCCN(C)C(=O)c2ccc(C#N)[nH]2)n[nH]1 1386874631 SCHOECAUBABFMA-UHFFFAOYSA-N 315.337 -0.256 30 20 DBED COCCC(=O)NC[C@]1(O)CCN(C(=O)c2cc(C#N)c[nH]2)C1 1394596910 NSXSYJFQHLNCOB-OAHLLOKOSA-N 320.349 -0.384 30 20 DBED CCN(C(=O)[C@@H](C)C#N)[C@H](C)CNC(=O)[C@@H]1CC(=O)NC(=O)N1 1406087835 ZBGUOHPFKWFBED-AEJSXWLSSA-N 323.353 -0.903 30 20 DBED N#CCC1(CS(=O)(=O)NC2CCN(CC(N)=O)CC2)CC1 1413412721 TXZZOAVVDKQMII-UHFFFAOYSA-N 314.411 -0.451 30 20 DBED N#Cc1ccc(CNC(=O)N2CC[C@H](CS(N)(=O)=O)C2)nc1 1414650913 KDURDVGRFWFTCY-NSHDSACASA-N 323.378 -0.227 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)CCc1ccnn1C 1431539582 MJBPEWMCVJOGQL-PWSUYJOCSA-N 307.354 -0.894 30 20 DBED CCN1CCO[C@@H](C(=O)NCCN(C(=O)[C@@H](C)C#N)C2CC2)C1 1431885671 LUBALVXAWHCYSR-GXTWGEPZSA-N 322.409 -0.026 30 20 DBED COC(=O)NCC(=O)N1CC[C@@](C)(CNC(=O)[C@H](C)C#N)C1 1432622806 LTGNGUCVVVPZTB-YGRLFVJLSA-N 310.354 -0.143 30 20 DBED C[C@H](C#N)C(=O)NCCN(C)C(=O)C(C)(C)S(C)(=O)=O 1455437032 XYEBYVNDWYYWIZ-SECBINFHSA-N 303.384 -0.456 30 20 DBED CCC(=O)NCC(=O)N1CCC2(C1)CN(C(=O)[C@H](C)C#N)C2 1488843989 VROGZBGPKCECHA-LLVKDONJSA-N 306.366 -0.267 30 20 DBED CCCN(CCNC(=O)[C@H](C)C#N)C(=O)[C@H]1CC(=O)N(C)C1 1529651163 OBOYIZKUTXWRHE-NEPJUHHUSA-N 308.382 -0.021 30 20 DBED C[C@](C#N)(CC(=O)O)C(=O)N1CC[C@@H](CNS(C)(=O)=O)C1 1573359902 LQQZEYWKHUMFQH-JOYOIKCWSA-N 317.367 -0.611 30 20 DBED CN(CCC#N)S(=O)(=O)N[C@H](C[C@@H]1CCCO1)C(=O)O 1573869454 AKPYEBIGEYIHTF-VHSXEESVSA-N 305.356 -0.311 30 20 DBED C#CCN(C(=O)NCCn1cnc(-c2nn[nH]n2)n1)C(C)C 1588348267 OEEGEDUWOZLQTP-UHFFFAOYSA-N 303.330 -0.489 30 20 DBED C#C[C@@H]1COCCN1C(=O)C(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)O)C[C@@H]12 1588384119 VVFUGSBONJEZQE-VEGXAWMVSA-N 320.345 -0.538 30 20 DBED C#CCNC(=O)CN1C[C@@H](C(=O)O)C[C@@H](c2cnn(C)c2)C1 1588431511 ZOLICBZULANIHW-NEPJUHHUSA-N 304.350 -0.340 30 20 DBED C#CCOCCC(=O)NC[C@H]1C[C@H](NC(=O)[C@H]2C[C@@H]2C(=O)O)C1 1588489583 FRCOGIMNDVIPCD-CYDGBPFRSA-N 322.361 -0.242 30 20 DBED C=CCNC(=S)NCCCc1[nH]nc(N)c1-c1nn[nH]n1 1588663950 RGZNUHMIYWCBIY-UHFFFAOYSA-N 307.387 -0.245 30 20 DBED CC#CC[C@H](CO)NS(=O)(=O)c1cccnc1-c1nn[nH]n1 1588737430 DTGBPSPAFYBFLK-SECBINFHSA-N 322.350 -0.686 30 20 DBED COC[C@H](C#N)OC(=O)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 1591367827 RYSVHMZBSREFOS-QWRGUYRKSA-N 303.278 -0.018 30 20 DBED C#CCN1CC(n2cc(CNC(=O)[C@@H]3C[C@H]3C(=O)O)nn2)C1 1602720670 BIIGNNFRSYHHER-VXGBXAGGSA-N 303.322 -0.895 30 20 DBED C=CCCn1cc(C(=O)N2CCC[C@H]2C(=O)NCC(=O)O)nn1 1602884617 LKZSTJMJQXETIB-NSHDSACASA-N 321.337 -0.340 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N1CCN(C)C[C@@H](C(=O)O)C1 1603130713 ZRVDOPKWCXFPPP-GHMZBOCLSA-N 318.399 -0.729 30 20 DBED C[C@]1(C(=O)N[C@H]2C[C@@H](NCC(=O)NCC#N)C2)C[C@H]2CC[C@H]1O2 1752731496 PORZXOJYNPFFLV-FSPSUXSGSA-N 320.393 -0.179 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1C[C@@H](NC(=O)c2cc(C)ncn2)C1 1752747916 GVFNSAZIIXNBED-RWMBFGLXSA-N 315.377 -0.227 30 20 DBED COCC#CCNC[C@H]1CCCN(C(=O)C[C@@H]2CCNC2=O)C1 1752799818 NAWKTIXIAPORLR-CABCVRRESA-N 321.421 -0.009 30 20 DBED Cc1cc(=O)c(C(=O)NC[C@H](C)NCC(=O)NCC#N)cn1C 1752881366 ZAXCADBLZVGLCZ-JTQLQIEISA-N 319.365 -0.959 30 20 DBED CCO[C@H](C)C(=O)N1CCC[C@H](N(C)CC(=O)NCC#N)C1 1752987245 NXXQTVVDVNDAIB-OLZOCXBDSA-N 310.398 -0.026 30 20 DBED C[C@H](NS(C)(=O)=O)C(=O)N1C[C@@H]2CC[C@H](C1)N2CC#N 1753311017 ZQRZBBBRFMVHBA-GARJFASQSA-N 300.384 -0.877 30 20 DBED C#CCCN[C@H](CC)CNC(=O)CN1CCS(=O)(=O)CC1 1753495320 RJNHDHBSJUUBLC-CYBMUJFWSA-N 315.439 -0.776 30 20 DBED N#CCNC(=O)CN1CCC(CCNC(=O)[C@@H]2CCOC2)CC1 1753593981 RGZQZZFTGRWKRY-CQSZACIVSA-N 322.409 -0.119 30 20 DBED C[C@@H](CNCC(=O)NCC#N)NC(=O)c1ccnc2ccnn12 1754269854 CQNVCFQVWTXZGL-JTQLQIEISA-N 315.337 -0.923 30 20 DBED C[C@H](CN(C)CC(=O)NCC#N)NC(=O)C[C@H]1CCCOC1 1754332465 DFXMMIDUWSRXLW-CHWSQXEVSA-N 310.398 -0.121 30 20 DBED C=CCCCN1CC(N(C)C(=O)CN2CC(=O)N(C)C2=O)C1 1754585416 WXIZHOSJAJCFFZ-UHFFFAOYSA-N 308.382 -0.011 30 20 DBED N#CCNC(=O)CN1C[C@@H]2C(CNC(=O)c3cnsn3)[C@H]2C1 1755418167 PBOJDWMOWUENRF-NXEZZACHSA-N 320.378 -0.915 30 20 DBED C=CCn1cc(C(=O)N(C)C[C@H](C)NCC(=O)NCC)nn1 1755609094 PDPRIYGCRLAPLA-NSHDSACASA-N 308.386 -0.350 30 20 DBED C=CCN1CC[C@H](NC[C@H](O)CN(C)C(=O)c2cnco2)C1=O 1755784095 GUGHKAVRIVHZTJ-RYUDHWBXSA-N 322.365 -0.516 30 20 DBED CCn1nncc1C(=O)N(C)C1CC(NCC(=O)NCC#N)C1 1755856431 YRORMBWUIMIIAI-UHFFFAOYSA-N 319.369 -0.870 30 20 DBED C#CCCCC(=O)N1C[C@@H]2C(CNC(=O)[C@@H]3CCC(=O)N3)[C@H]2C1 1756214401 BYQZISOHSORFIH-MCIONIFRSA-N 317.389 -0.111 30 20 DBED N#CCSCC(=O)N[C@H]1C[C@H](CNC(=O)[C@H]2CCC(=O)N2)C1 1756244999 XDXFAPWYAJUBNQ-GMTAPVOTSA-N 324.406 -0.467 30 20 DBED C=C1CC(C)(C(=O)N[C@H](CO)CNC(=O)c2nnn(C)c2C)C1 1756510699 NGSQDQOIYOOMPG-NSHDSACASA-N 321.381 -0.313 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)CSC(=N)N)CCO2 1783049502 BIVQKESOVQJIFZ-CYBMUJFWSA-N 310.379 -0.924 30 20 DBED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](N)[C@H](C)CC)C[C@@H]21 1790790500 DWMBBSFWEXSUFF-XSEXMBABSA-N 321.421 -0.027 30 20 DBED C#CC(=O)N1CC2(CCCN2C(=O)c2cnc(OC)cn2)C1 1842552414 GHYWUNNTKJJMPC-UHFFFAOYSA-N 300.318 -0.065 30 20 DBED NCC(=O)N1CC2(CCCN2C(=O)/C=N/O[C@H]2CCCCO2)C1 1844300210 ROJMPMLAJINNMB-VEJKBTLKSA-N 324.381 -0.323 30 20 DBED C[C@H](S)C(=O)N1CCCC12CN(C(=O)CS(C)(=O)=O)C2 1846367610 DVWNTHRYEZOXLB-VIFPVBQESA-N 320.436 -0.447 30 20 DBED CN/C(=N\CCCO[C@H]1CCOC1)NCCN1CCOCC1 134051283 WZIRFJKDXWAITC-AWEZNQCLSA-N 314.430 -0.321 30 20 DBED Cn1cnc(S(=O)(=O)NCC(=O)N[C@@H](C#N)C(C)(C)C)c1 268115008 MSRALKYRCWGYQL-VIFPVBQESA-N 313.383 -0.247 30 20 DBED CCNC(=O)C1(CNc2c(C#N)c(=O)n(C)c(=O)n2C)CCC1 277493431 ULWWAWAPOPLPHF-UHFFFAOYSA-N 319.365 -0.326 30 20 DBED C=CCNC(=O)CNC(=O)[C@](C)(O)Cn1ccc(C)cc1=O 279861398 QAXOOHYASGORKA-OAHLLOKOSA-N 307.350 -0.674 30 20 DBED C=CCCOCCNC(=O)C(=O)N1CC[C@@](C)(C(=O)NC)C1 289340796 FEBMMKLBYXOOFB-OAHLLOKOSA-N 311.382 -0.320 30 20 DBED C[C@H](CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)N(C)C 289471369 HLQXQBCUOHQYJB-LLVKDONJSA-N 324.406 -0.097 30 20 DBED COC(=O)[C@H]1C[C@@H](O)CN1CC(=O)N(CCC#N)CCC#N 317426737 ZMDPCBVGMCJJNG-VXGBXAGGSA-N 308.338 -0.749 30 20 DBED CN1CC[C@H](/N=C(/O)N2CCN(Cc3cnn(C)c3)CC2)C1=O 329419686 HBHGSKNXYHDIAM-ZDUSSCGKSA-N 320.397 -0.318 30 20 DBED C[C@@H](CN1CCOCC1)/N=C(/O)c1coc(S(N)(=O)=O)c1 330514550 LEOKEANYEYWTSV-VIFPVBQESA-N 317.367 -0.048 30 20 DBED C[C@@H](C(=O)N(C)CCC#N)N1CCC[C@@H](S(N)(=O)=O)C1 330851046 QIGJXLRMSUCHJO-WDEREUQCSA-N 302.400 -0.500 30 20 DBED Cn1c(N2CCC([C@H]3CCNC3)CC2)c(C#N)c(=O)n(C)c1=O 333506098 IKWAJRNTYXSRFP-LBPRGKRZSA-N 317.393 -0.218 30 20 DBED COCCN1CC[C@H](NS(=O)(=O)N(C)[C@@H](C)CC#N)C1 337789089 ZUFHAMQKOYSCMN-RYUDHWBXSA-N 304.416 -0.225 30 20 DBED CCNC(=O)CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 340325804 WOQBRBWIJCFZCN-UHFFFAOYSA-N 324.362 -0.911 30 20 DBED CC[C@@H](C)NC(=O)[C@H](C)NC(=O)NCCn1cnc(C#N)n1 344618385 VBEITCIBPNYADM-ZJUUUORDSA-N 307.358 -0.248 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N1CCC[C@H](S(N)(=O)=O)C1 347528736 FQIILQNIWVZZHD-ZJUUUORDSA-N 318.399 -0.860 30 20 DBED C=C(C)CN(C)C(=O)C(=O)N[C@H]1CCOC[C@H]1OCCOC 360198644 IEBXBHKMGZGLJA-QWHCGFSZSA-N 314.382 -0.042 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)N2C[C@@H](O)C[C@H]2CO)cc1 373460116 OQZIUAOMGMGJLE-STQMWFEESA-N 303.318 -0.758 30 20 DBED CNC(=O)[C@H]1CN(C(=O)C(=O)NCCC#N)c2ccccc2O1 427884236 SJLKGGCVMLXKNB-GFCCVEGCSA-N 316.317 -0.444 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CO[C@H](C)C2)CC1 490713788 MFOWRSDUTLIVHL-ZIAGYGMSSA-N 307.394 -0.305 30 20 DBED C=CCNC(=O)NC(=O)CN1[C@H]2C[C@H]3[C@H]([C@@H]2O)[C@@H]2C[C@H]3[C@@H](O)[C@H]21 575872136 GSSTZGQRACTLPF-GNHRZPJRSA-N 321.377 -0.941 30 20 DBED N#Cc1ccc(S(=O)(=O)CCNC[C@H](O)C(F)F)nc1 578891729 GLKPRURFURPHAD-VIFPVBQESA-N 305.306 -0.057 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CS(=O)(=O)CCO1 580184884 ZRPUHRDNYFWNIE-UTUOFQBUSA-N 303.380 -0.103 30 20 DBED C[C@@H]1CCN(C(=O)C(=O)NC2CCN(CC#N)CC2)[C@H]1CO 588125988 VYXPHJMPVMHBLF-YPMHNXCESA-N 308.382 -0.680 30 20 DBED CC#CC[C@@H](CO)NS(=O)(=O)c1c[nH]c(C(=O)OC)c1 592111635 JUISDTSOVMWGNT-VIFPVBQESA-N 300.336 -0.146 30 20 DBED C=CCNC(=O)NC(=O)CN1CCC(CO)(NC(C)C)CC1 593999541 AXDRXWLEZICXHB-UHFFFAOYSA-N 312.414 -0.177 30 20 DBED CN1CCN(C(=O)CNC(=O)c2ccc(C#N)cc2)CCC1=O 598294775 JAPNGBCTZUFCAJ-UHFFFAOYSA-N 314.345 -0.021 30 20 DBED CN1CCN(S(=O)(=O)c2ccc(C#N)s2)[C@@H](CO)C1 601469430 PZPAUSRJHGJONU-SECBINFHSA-N 301.393 -0.083 30 20 DBED C#CCCS(=O)(=O)N1CCCC[C@@H]1CNS(C)(=O)=O 710844748 KFVDUEGBOATUIV-LLVKDONJSA-N 308.425 -0.257 30 20 DBED CNC(=O)CC(=N)NOCC(=O)NCc1cccc(C#N)c1 748778701 SYSHQPAWFSWIEB-UHFFFAOYSA-N 303.322 -0.191 30 20 DBED C[C@@H](OC(=O)C(C)(C)NS(C)(=O)=O)C(=O)N(C)CCC#N 751695659 LHMKZYCSJDCFBO-SECBINFHSA-N 319.383 -0.382 30 20 DBED C#CCNC(=S)NCCS(=O)(=O)N1CCSCC1 758227203 ANZZHKYQHPFMFY-UHFFFAOYSA-N 307.466 -0.538 30 20 DBED COc1cc(C=NNC2=NC(=O)C(=O)N2)cc([N+](=O)[O-])c1O 765592674 JDXHCAIYZXKSBJ-UHFFFAOYSA-N 307.222 -0.755 30 20 DBED C=CCNC(=O)COC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C 770116895 UDLVHHVPAAESCW-JTQLQIEISA-N 306.384 -0.204 30 20 DBED C#CCNC(=O)CN(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 777939896 RXEBSAXVOVLFJJ-QWHCGFSZSA-N 314.407 -0.596 30 20 DBED C=CCS(=O)(=O)CCNC(=O)CC(=O)NCC(F)(F)F 783618109 MPXIPMSHHYFDBB-UHFFFAOYSA-N 316.301 -0.228 30 20 DBED C[C@@H](C#N)OCCOC(=O)C1CCN(S(N)(=O)=O)CC1 801820859 OPQRHAWNOLMVLU-VIFPVBQESA-N 305.356 -0.626 30 20 DBED CC1=C(C(=O)NCc2ccc(C#N)cn2)Cn2nnnc2N1C 813709467 NKRYITHTCHANOC-UHFFFAOYSA-N 310.321 -0.020 30 20 DBED C#CC[C@@H](NC(=O)[C@H]1COCCN1CC(F)F)C(=O)OC 837949770 YBEIIBWBQJGADZ-NXEZZACHSA-N 304.293 -0.367 30 20 DBED C#CCOCCC(=O)N1CCC(n2cnc(C(N)=O)c2N)CC1 848039542 OEJMDQAWWMWNQP-UHFFFAOYSA-N 319.365 -0.232 30 20 DBED C#C[C@H](CC)NC(=O)N1CCCN(C(=O)CNC(C)=O)CC1 858395908 SJULVUSHXIISNF-CYBMUJFWSA-N 308.382 -0.222 30 20 DBED C#CC[C@@H](CO)NS(=O)(=O)c1cc(C(=O)OC)n(C)c1 882343563 WCBHZTGTZNMNHT-VIFPVBQESA-N 300.336 -0.526 30 20 DBED C#CC[C@H](CO)NC(=O)N[C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O 920901835 QXUWIKMFJGMKOK-DMDPSCGWSA-N 319.365 -0.403 30 20 DBED C=CCC[C@H]1NC(=O)N(C2CC(NS(C)(=O)=O)C2)C1=O 925301680 HYABATNBGWPCPW-UDNWOFFPSA-N 301.368 -0.047 30 20 DBED C#Cc1cncc(C(=O)N2CC[C@H](NC(=O)c3cnn(C)n3)C2)c1 938275971 KUYHZWKTXNPFKK-ZDUSSCGKSA-N 324.344 -0.164 30 20 DBED C=CCn1cccc1C(=O)N(C)[C@@H]1CCN(C(=O)C(N)=O)C1 939389587 JKRRWOTXIWBDJY-LLVKDONJSA-N 304.350 -0.168 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2CCN(C(=O)c3cnn(C)n3)C2)c1 942369344 MLYJJGUURRNFBF-CYBMUJFWSA-N 324.344 -0.164 30 20 DBED O=C(NC[C@H]1CCCN1C(=O)C#CC1CC1)C1CS(=O)(=O)C1 944008276 GTYULCKVBCMXCY-CYBMUJFWSA-N 324.402 -0.448 30 20 DBED Cn1ccc(C(=O)NC[C@H]2CN(C(=O)C#CC3CC3)CCO2)n1 944600409 JUPGJXQELANMGV-ZDUSSCGKSA-N 316.361 -0.209 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CCCN(C(=O)CC(N)=O)C2)[nH]1 950253796 MRMWVWXCXYQURH-SNVBAGLBSA-N 303.322 -0.517 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@]2(CCN(C(=O)Cn3ncnn3)C2)C1 953173938 REUSDGBWFUSBQG-SMDDNHRTSA-N 317.353 -0.716 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@](C)(NC(=O)c2cc(=O)n(C)cn2)C1 957156537 ZMTMXQIPKZQYJS-BONVTDFDSA-N 317.349 -0.339 30 20 DBED CN(C)c1cnc(C(=O)NC[C@H]2CN(CC#N)C[C@@H]2O)cn1 958070229 YQRYLRIKHPQEQO-JQWIXIFHSA-N 304.354 -0.911 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2c(NC(C)=O)c[nH]c2C)C1 958196273 SQFHCWOSIZNDNE-GXTWGEPZSA-N 318.377 -0.063 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@@H](CNC(=O)C2CC(=O)NC(=O)C2)C1 958484762 CXNJQMXPZOEIKP-QWHCGFSZSA-N 323.393 -0.586 30 20 DBED Cn1cc(-c2n[nH]cc2C(=O)N[C@H]2[C@@H]3CN(CC#N)C[C@@H]32)cn1 962270687 KKMGZZRAGOEZML-IMRBUKKESA-N 311.349 -0.006 30 20 DBED Cc1[nH]nc(C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2O)c1O 962304765 WWVMBWGURATDES-MNOVXSKESA-N 318.333 -0.861 30 20 DBED CO[C@H](C)C(=O)N1CCOC[C@@H]1CNC(=O)c1c[nH]c(C#N)c1 964148065 WGFRWBNFLTVPRS-MFKMUULPSA-N 320.349 -0.122 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H](NC(=O)Cn2cnnn2)CC1 964710880 SMFHPWCPWQYGBD-MNOVXSKESA-N 305.342 -0.670 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](NC(=O)C(N)=O)CC1 965138536 BZDPBJZXKGOXOV-TUAOUCFPSA-N 309.366 -0.440 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(CC1)C[C@@H]2NC(=O)Cn1cncn1 965492822 XNKZQZHLELJKQK-RYUDHWBXSA-N 316.365 -0.065 30 20 DBED C=CCn1cc(C(=O)N[C@H]2COC3(C2)CN(C(C)=O)C3)nn1 965713694 VYKFSZMOIJVMBT-LLVKDONJSA-N 305.338 -0.416 30 20 DBED C[C@@H]1CCN(CC#N)C[C@@H]1NC(=O)CN1CCCS1(=O)=O 966521963 IIIUQXBZRJYCND-NEPJUHHUSA-N 314.411 -0.628 30 20 DBED C#Cc1ccc(C(=O)N(CC)C2CN(C(=O)C(N)=O)C2)cn1 968193121 ZZQYSHPFWMTCAU-UHFFFAOYSA-N 300.318 -0.779 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)c2cnn(CCF)c2)C1 968547294 OLFUKIOFPDDPMV-JLLWLGSASA-N 323.328 -0.686 30 20 DBED C=CCN1CCO[C@@]2(CCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C2)C1 972573527 RBVTZJLJWWBVIP-NHYWBVRUSA-N 322.365 -0.926 30 20 DBED C=C1CC(C)(C(=O)N[C@H]2[C@@H]3CN(C(=O)Cn4ncnn4)C[C@@H]32)C1 977150457 KLCBANUOEGWLRM-PJXYFTJBSA-N 316.365 -0.398 30 20 DBED C#CCN1C[C@H](NC(=O)CN2CCC(=O)NC2=O)C(C)(C)C1 977443417 CKIRUBKOLNORBO-NSHDSACASA-N 306.366 -0.612 30 20 DBED C#CCCN1C[C@H]2C(CNC(=O)c3cnc(O)n(C)c3=O)[C@@H]2C1 978604977 ZEIAEMPBIXQFEQ-STQMWFEESA-N 316.361 -0.583 30 20 DBED C=CCCN1C[C@H]2[C@H](CNC(=O)[C@H]3CC[C@@H](C(N)=O)O3)[C@H]2C1 978710938 ZVFXXTSYDCMGKG-PDWCTOEPSA-N 307.394 -0.111 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2[C@@H]3CN(C[C@H](C)O)C[C@H]23)nn1 978816076 KWRVCKOFPORVMK-ZDEQEGDKSA-N 305.382 -0.248 30 20 DBED C#CCN1C[C@@H]2CC[C@@H](NC(=O)CN3C(=O)CNC3=O)C[C@H]2C1 980242488 HVLSZONVSYSHCT-RWMBFGLXSA-N 318.377 -0.612 30 20 DBED Cn1nccc1CC(=O)N1CC(NC(=O)c2ccc(C#N)[nH]2)C1 990886566 COUFYJKFCMVVFR-UHFFFAOYSA-N 312.333 -0.197 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)c2cnn(CC)n2)C1 991187397 NEMSFHGRKVYTFB-YPMHNXCESA-N 319.365 -0.170 30 20 DBED Cn1cnc(C(=O)N[C@@H]2CCN(C(=O)C#CC3CC3)C[C@H]2O)c1 991390520 RPFROSQCUVUSNR-TZMCWYRMSA-N 316.361 -0.475 30 20 DBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1CC(NC(=O)C(N)=O)C1 992142990 XLBIGZSADJDCOW-TYUFSLCMSA-N 323.393 -0.146 30 20 DBED C[C@H]1[C@@H](NC(=O)CN2CCN(C)C(=O)C2)CCCN1CC#N 993519430 JXBKTSYYDVWWLM-STQMWFEESA-N 307.398 -0.747 30 20 DBED CC(C)C(=O)N[C@H]1CC(=O)N(C2CN(C(=O)[C@H](C)C#N)C2)C1 995468791 LVFOMFRMTJBTGI-MNOVXSKESA-N 306.366 -0.270 30 20 DBED C#Cc1cncc(C(=O)NC2CN(C(=O)Cc3cncn3C)C2)c1 999309050 HYSOSWFZNDQIQY-UHFFFAOYSA-N 323.356 -0.020 30 20 DBED N#CCN1CC[C@H](n2cc(CNC(=O)c3cn[nH]c3)nn2)C1 999954161 FKMOSMMWUZCLTA-LBPRGKRZSA-N 300.326 -0.298 30 20 DBED C[C@@]1(CC(=O)N2CCC[C@H](NCC#N)C2)CCS(=O)(=O)N1 1000789031 KTJAQRXSOXXLCX-AAEUAGOBSA-N 314.411 -0.438 30 20 DBED C[C@@H](C#N)C(=O)N1CC=C(CNC(=O)[C@@H]2CN(C)CCO2)CC1 1017357521 YIFXGPKBJVYYCE-JSGCOSHPSA-N 320.393 -0.248 30 20 DBED C#CCN1CCC[C@H](CNC(=O)c2nccnc2C(N)=O)C1 1023739007 KWAOHZTWLXNIKE-LLVKDONJSA-N 301.350 -0.350 30 20 DBED N#CCN[C@@H]1CC[C@@H]2CN(C(=O)C3CC(=O)NC(=O)C3)C[C@@H]21 1026375690 XGLMJYRHZJRPSS-ADEWGFFLSA-N 304.350 -0.611 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](CNCc2nnc3n2CCOC3)C1 1026732380 IUOPFYTWCIQKFH-RYUDHWBXSA-N 318.381 -0.094 30 20 DBED C=CCN1CC[C@H](NC[C@H]2CCN(C(=O)c3cnon3)C2)C1=O 1027130957 LACZOBSBJZZIQD-NEPJUHHUSA-N 319.365 -0.092 30 20 DBED C=CCn1cc(C(=O)NC2CN(Cc3nccn3C)C2)nn1 1031069820 BAFKQLYXAIVENX-UHFFFAOYSA-N 301.354 -0.188 30 20 DBED CC#CCN1CC(NC(=O)Cn2nc3n(c2=O)CCCC3)C1 1031213704 HPEIOBIVHVODAM-UHFFFAOYSA-N 303.366 -0.795 30 20 DBED C#CCN1CCO[C@H](CNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1035454600 NQXJBYIFDYSLRE-LJISPDSOSA-N 308.378 -0.512 30 20 DBED N#CCN1CCO[C@H](CNC(=O)[C@H]2CCCCN2C(N)=O)C1 1035572262 VXUHQRWCAQNQHB-VXGBXAGGSA-N 309.370 -0.740 30 20 DBED CN1CCCC[C@@H](C(=O)NC[C@H]2CN(CC#N)CCO2)C1=O 1035573760 MLMCSUXGAGBLCI-STQMWFEESA-N 308.382 -0.415 30 20 DBED C#CCN1CC2(CCN(C(=O)CCn3ncn(C)c3=O)CC2)C1 1035754332 AJHDPLZGWVRHON-UHFFFAOYSA-N 317.393 -0.471 30 20 DBED CC[C@@H]1CN(C(=O)CN2C(=O)CN(C)C2=O)CC[C@@H]1NCC#N 1037983040 DTAYSLIUCXXFGN-NEPJUHHUSA-N 321.381 -0.379 30 20 DBED C=CCCC(=O)N1CC[C@](O)(CNC(=O)CCn2ccnn2)C1 1039566582 TWPCDHFGUFSRKO-HNNXBMFYSA-N 321.381 -0.286 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@]1(O)CCN(C(=O)COC)C1 1039575676 DEKOGXLFGCYLSF-KBPBESRZSA-N 300.355 -0.961 30 20 DBED C[C@H]1CN(C(=O)C(N)=O)CC[C@@H]1CNc1nccnc1C#N 1040440803 FXYFGSIADGWJAB-VHSXEESVSA-N 302.338 -0.270 30 20 DBED C=C(C)CCC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2CNC(=O)N2)C1 1040723532 JVZTTWPVCIBUBF-NHYWBVRUSA-N 324.381 -0.896 30 20 DBED O=C(NCC1(O)CN(C(=O)C#CC2CC2)C1)c1cnsn1 1041693360 VYDKLKUTMHEIDY-UHFFFAOYSA-N 306.347 -0.745 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)COC(C)C)C1 1041850553 XEVLAFJXEWKKGW-LBPRGKRZSA-N 314.382 -0.308 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)c2ccc(F)cn2)C1 1042697935 QUTVOMOFOIXMCV-VIFPVBQESA-N 306.297 -0.317 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(O)CN(C(=O)[C@@H](C)OC)C1 1042807745 YHONCMGEVZKUNN-MFKMUULPSA-N 300.355 -0.962 30 20 DBED O=C(NCC1(O)CN(C(=O)C#CC2CC2)C1)C1CCC(O)CC1 1042829664 LAPQAPFHXQSWAP-UHFFFAOYSA-N 320.389 -0.360 30 20 DBED C=C[C@@H](C)[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2cnnn2C)C1 1042857078 PZCYZRJRJMGOPH-GHMZBOCLSA-N 321.381 -0.424 30 20 DBED C[C@@H]1CN(C(=O)[C@@H]2COC(=O)N2)C[C@H]1N=c1cc[nH]cc1C#N 1043154700 GRMFIZAQDOCCOV-WQAKAFBOSA-N 315.333 -0.258 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)[C@@]2(C)CCNC(=O)C2)C1 1043683805 YTNMIPGRLVOIAJ-HNNXBMFYSA-N 323.393 -0.442 30 20 DBED CCc1n[nH]cc1C(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1043800259 MPPOLIMYNQTNOM-UHFFFAOYSA-N 316.361 -0.311 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(O)(CNC(=O)c2cnco2)C1 1044119179 VEEISHGQTDFUIG-CYBMUJFWSA-N 309.322 -0.695 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1C[C@@H](CNC(=O)[C@H]2COC(=O)N2)C1 1046370254 XTFNCARVKAZAQC-SUZMYJTESA-N 315.333 -0.210 30 20 DBED N#Cc1cncc(N[C@H]2C[C@H](CNC(=O)[C@H]3CNC(=O)N3)C2)n1 1047009360 KXVGNZSQGZGOOZ-FXPVBKGRSA-N 315.337 -0.664 30 20 DBED C#CCN1CCC(C(=O)N(C)[C@H]2CN(C[C@@H](C)O)C[C@@H]2O)CC1 1047638102 BOUKMGBBILWURH-KBMXLJTQSA-N 323.437 -0.784 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C2CCC2)C1 1047983694 FRIFMHVHUJZOGU-XBFCOCLRSA-N 308.378 -0.145 30 20 DBED CC[C@H](C(=O)N(C)[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O)N(C)C 1049027147 DXGLVPRPCRJZOF-ILXRZTDVSA-N 321.421 -0.230 30 20 DBED Cn1cnc(C(=O)N2CCC[C@@H]3[C@@H]2CCN3CC#N)cc1=O 1049530697 ZEZCQBBHQBWVGQ-OLZOCXBDSA-N 301.350 -0.017 30 20 DBED Cn1c(O)ncc(C(=O)N2CCC[C@H]3CN(CC#N)C[C@H]32)c1=O 1050112537 ZDKHRRNYFLEUDK-CMPLNLGQSA-N 317.349 -0.454 30 20 DBED C=CCOCC(=O)N1CC[C@@H]([C@H](C)NC(=O)CNC(N)=O)C1 1050297557 NLZJRQDEIRKYPH-WDEREUQCSA-N 312.370 -0.790 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H]([C@@H](C)NC(=O)C2CC2)C1 1050490315 IHIIZKPJQXLKBQ-DGCLKSJQSA-N 305.378 -0.111 30 20 DBED N#Cc1ccc(NC2CC(CNC(=O)[C@@H]3CNC(=O)N3)C2)cn1 1052072010 AZRVWLXPMOAZMO-LDUAJXOISA-N 314.349 -0.059 30 20 DBED C[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1CNC(=O)C#CC1CC1 1052662403 TXWMPPPKTAEVCI-DGCLKSJQSA-N 316.365 -0.703 30 20 DBED CC#CCN1CC2(CC[C@@H](CNC(=O)[C@H]3CCC(=O)N3C)O2)C1 1053649852 YLOGEOVSHIAUOC-UONOGXRCSA-N 319.405 -0.020 30 20 DBED C=CCCN1CC2(C[C@H](NC(=O)[C@@H]3COCCN3C)CO2)C1 1053782384 OLWPNYSAMQJRFQ-KBPBESRZSA-N 309.410 -0.147 30 20 DBED C=CCN1CC2(C[C@H](NC(=O)Cn3nnnc3C(C)C)CO2)C1 1053949828 QVXMXWFKCAASMX-LBPRGKRZSA-N 320.397 -0.058 30 20 DBED N#Cc1cncc(N2CCN(C(=O)[C@H]3COCCO3)CC2)n1 1055722392 XOFOSNUQKCFKAH-GFCCVEGCSA-N 303.322 -0.588 30 20 DBED N#Cc1cncc(N2CCN(C(=O)[C@H]3CC[C@H]3C(N)=O)CC2)n1 1055974018 QXHSLACLJLBDKP-NEPJUHHUSA-N 314.349 -0.492 30 20 DBED C[C@@H](C(=O)N[C@H]1[C@@H]2CN(c3ccnc(C#N)n3)C[C@@H]21)n1cncn1 1056169757 WDSFLQGUYWLCGF-KZWBYHQPSA-N 324.348 -0.248 30 20 DBED Cn1cc(C(=O)N[C@H]2[C@@H]3CN(c4ncccc4C#N)C[C@@H]32)nn1 1056199287 VFJVGXXEVBFNMT-PJXYFTJBSA-N 309.333 -0.054 30 20 DBED N#Cc1cncc(N2C[C@H]3[C@H](NC(=O)C45CCN(CC4)C5)[C@H]3C2)n1 1056267759 RISXROQGBPFQEK-NHAGDIPZSA-N 324.388 -0.005 30 20 DBED CN1CC[C@@H](C(=O)N2CC[C@@H](Nc3nccnc3C#N)C2)C1=O 1056752887 OAXRMIZFVAPRFN-GHMZBOCLSA-N 314.349 -0.161 30 20 DBED C=CCC1(C(=O)NCCN(CCO)C(=O)CC(N)=O)CCC1 1057244157 RUOZECIULRNHFN-UHFFFAOYSA-N 311.382 -0.455 30 20 DBED COC[C@H](C)C(=O)NCCN(CCO)C(=O)c1cc(C#N)c[nH]1 1057291541 IKGIUONUZGZSQB-NSHDSACASA-N 322.365 -0.280 30 20 DBED C#CCNC(=O)CC(=O)N(CCO)CCNC(=O)/C=C(\C)CC 1057390582 HKVUHMOUHCWIDD-ACCUITESSA-N 323.393 -0.581 30 20 DBED C=C[C@@](C)(O)CC(=O)N(CCO)CCNC(=O)C(C)(C)F 1057449929 KEOWRLDHUWDCAM-CQSZACIVSA-N 304.362 -0.001 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)[C@@H]1CC12CCOCC2 1058067530 NASCNPAEDZSHQF-STQMWFEESA-N 323.393 -0.100 30 20 DBED C[C@@]1(C(=O)N[C@H]2CCN(c3ccnc(C#N)n3)C2)CNC(=O)C1 1058493827 DNEBNIVPMXRPEW-BONVTDFDSA-N 314.349 -0.431 30 20 DBED N#Cc1cnc(N[C@H]2C[C@H](NC(=O)Cn3cnnc3O)C2)cn1 1059180411 CLKPGNZEQBDZDL-KYZUINATSA-N 314.309 -0.595 30 20 DBED C=CCCCC(=O)N1CCOC[C@@H]1CNC(=O)CC(=O)NC 1061527949 JCIXZSVTBWPASJ-LBPRGKRZSA-N 311.382 -0.178 30 20 DBED C=CC(C)(C)C(=O)NC[C@H]1CN(C(=O)CNC(N)=O)CCO1 1064841263 QVHMACWMWPBKMM-JTQLQIEISA-N 312.370 -0.790 30 20 DBED C=CCOCC(=O)N(C)CCCN(C)C(=O)CC(=O)N(C)C 1067001843 WRKOLSXDSOEPNC-UHFFFAOYSA-N 313.398 -0.026 30 20 DBED N#Cc1ccc(NCC2CC(NC(=O)Cn3cncn3)C2)nn1 1067848831 WBHDPOYJXJSMFQ-UHFFFAOYSA-N 312.337 -0.053 30 20 DBED Cn1cc(C(=O)N2C[C@H]3CC[C@H]2CN3c2cncc(C#N)n2)nn1 1068041874 JVPZPYWOISGAOR-NEPJUHHUSA-N 324.348 -0.030 30 20 DBED N#Cc1nccc(N2C[C@H]3C[C@H](NC(=O)C(N)=O)CC[C@H]3C2)n1 1068266486 KTAVQSKFJUFUHG-HBNTYKKESA-N 314.349 -0.445 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CN(C(=O)CCCN(C)C)CCO2)C1 1068446503 YMOJQFJZGWQAFE-CYBMUJFWSA-N 322.409 -0.072 30 20 DBED NC(=O)CC(=O)N1CC2(CC[C@H](CNC(=O)C#CC3CC3)O2)C1 1068571697 SUCDELDHXSDQAZ-GFCCVEGCSA-N 319.361 -0.849 30 20 DBED C=CCCC(=O)N1CC2(C[C@@H](NC(=O)c3ncn(C)n3)CO2)C1 1068846984 BAOQQFFGDBDGII-LLVKDONJSA-N 319.365 -0.119 30 20 DBED CCC1(NC(=O)C(N)=O)CCN(C(=O)c2ccc(C#N)[nH]2)CC1 1069310585 NZRYYIQEODBJRN-UHFFFAOYSA-N 317.349 -0.127 30 20 DBED N#CCN1CCn2ncc(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])c2C1 1069860461 UNNQJICZOZJGHI-GHMZBOCLSA-N 304.310 -0.496 30 20 DBED C#CCN1CC[C@]2(C1)CN(C(=O)Cn1cnnc1O)C[C@H](C)O2 1071148829 AWIFMHQYSZMAAV-WFASDCNBSA-N 319.365 -0.691 30 20 DBED Cn1nnc(CN2CCC3(C2)CN(C(=O)C#CC2CC2)C3)n1 1072718544 AHEQJVNBJAKVMG-UHFFFAOYSA-N 300.366 -0.342 30 20 DBED C=CCN1CCCO[C@@H](CNC(=O)c2nccnc2C(N)=O)C1 1073880533 LTKAJPBEORRCCI-NSHDSACASA-N 319.365 -0.418 30 20 DBED C=CCN1CCO[C@H]2CCN(C(=O)Cn3c(O)nnc3O)C[C@H]21 1074393096 VJCKZISEDMMLAD-MNOVXSKESA-N 323.353 -0.823 30 20 DBED C=CCCN1C[C@@H]2CCN(C(=O)Cn3ncn(C)c3=O)[C@@H]2C1 1075968590 IJXAVCHHLFIEEI-QWHCGFSZSA-N 305.382 -0.309 30 20 DBED C#Cc1cncc(C(=O)N[C@@H](C)CCNC(=O)CC(=O)NC)c1 1076255422 FTQRWOYXTSUEJW-NSHDSACASA-N 316.361 -0.176 30 20 DBED C#CCO[C@@H](C)C(=O)NCC[C@H](C)NC(=O)Cn1nccn1 1076509435 XNWDMGPNFSIJIH-RYUDHWBXSA-N 307.354 -0.673 30 20 DBED C#CCN1CCC(C(=O)N[C@@H]2CN(CC3CC3)C[C@H]2O)CC1 1078228064 BDVAHSHAFHTKQJ-HZPDHXFCSA-N 305.422 -0.097 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2ccc3nc(O)oc3c2)C1 1078233283 SPMCOJUKABRUSZ-VXGBXAGGSA-N 301.302 -0.059 30 20 DBED CN1C(=O)CN(CC(=O)N[C@@H]2C[C@H](NCC#N)C23CCC3)C1=O 1078783903 OVAAKMQMFXLTOY-WDEREUQCSA-N 319.365 -0.579 30 20 DBED C#CCN[C@H]1C[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C12CCC2 1078818718 BIELRUFPCICVRF-NWDGAFQWSA-N 316.365 -0.973 30 20 DBED C#CCOCCC(=O)N1CC(N(CC)C(=O)CN(C)C(C)=O)C1 1079344544 CWJWPNBXQLOITR-UHFFFAOYSA-N 323.393 -0.436 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(C(=O)c2cc[nH]n2)C[C@@H]1O 1081468629 MFIAGIMTPONQTJ-AAEUAGOBSA-N 302.334 -0.628 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@H](CNC(=O)c2nc[nH]n2)C1 1081653116 KARIFCQTOBPCNL-MNOVXSKESA-N 305.338 -0.987 30 20 DBED C=CCN1C[C@@H](NC(=O)[C@@H]2CCc3nnc(O)n3C2)[C@H](OC)C1 1081870847 OPTARGSOMFAVQC-IJLUTSLNSA-N 321.381 -0.453 30 20 DBED C#CCCN1C[C@@H](NC(=O)c2cn(C)c(=O)cn2)[C@H](OC)C1 1081959313 CRUUCLVRJMZAGS-DGCLKSJQSA-N 304.350 -0.767 30 20 DBED C#CCCN1C[C@@H](NC(=O)[C@@H]2CN(C(C)C)CCO2)[C@H](OC)C1 1082058109 RSZOATDIDBSXJC-OAGGEKHMSA-N 323.437 -0.066 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)c2cc(O)nc3ncn(C)c23)C1 1083516780 VUBABQBMCUJXCK-MNOVXSKESA-N 317.349 -0.365 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN([C@H](C)C(=O)N(C)C)C[C@@H]2O)C1 1083763607 SLAXKWLLRYCNJG-UPJWGTAASA-N 309.410 -0.019 30 20 DBED C#CCN1CC[C@@H]2CCN(C(=O)[C@@H]3CN(C(C)=O)CCO3)C[C@@H]21 1085085432 VCPKCERSBYASFN-PMPSAXMXSA-N 319.405 -0.210 30 20 DBED C#CCN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCN(C)S1(=O)=O 1085360095 OIPVQCYKBRWODB-JHJVBQTASA-N 313.423 -0.330 30 20 DBED N#CCN1CC[C@H](NC(=O)c2n[nH]c3c2CCCC3)[C@@H](O)C1 1090389436 WNJYGYVHNAMLQK-STQMWFEESA-N 303.366 -0.023 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2cnc(O)cc2OC)[C@H](O)C1 1090578610 WZQOVVABMFLOHL-QWHCGFSZSA-N 319.361 -0.016 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2ccc3nnc(O)n3c2)[C@H](O)C1 1090636822 DACNUGAKXDMRSH-GHMZBOCLSA-N 316.321 -0.877 30 20 DBED N#Cc1nccnc1N[C@H]1C[C@@H](CNC(=O)Cn2ncnn2)C1 1091371804 LBBMOEZAAZSJPM-AOOOYVTPSA-N 313.325 -0.658 30 20 DBED CNC(=O)CC(=O)N[C@H]1[C@@H]2CN(c3cnc(C#N)cn3)C[C@@H]21 1093241590 ICWGIYMQWVZSQG-MSRIBSCDSA-N 300.322 -0.965 30 20 DBED CN(C)CCC(=O)NC1[C@@H]2CN(c3nccnc3C#N)C[C@@H]12 1093341330 GJMLBAPDCTUYNB-GHMZBOCLSA-N 300.366 -0.149 30 20 DBED N#CCNC1CCC2(CC1)CN(C(=O)Cn1cncn1)CCO2 1093412487 CTTPVIYGKXKLBN-UHFFFAOYSA-N 318.381 -0.069 30 20 DBED CN1C[C@H](C(=O)N2CCC(OC3CN(CC#N)C3)CC2)NC1=O 1093560258 GVDMJMCIOLSDHO-CYBMUJFWSA-N 321.381 -0.775 30 20 DBED CC#CCN1CC(OC2CCN(C(=O)c3nnn(C)n3)CC2)C1 1093562310 GKTSDSJPRKTQMR-UHFFFAOYSA-N 318.381 -0.461 30 20 DBED CCc1nc(C#N)cc(NCCNC(=O)c2cn(C)nn2)n1 1093589959 KCYJJVUCBYLRAY-UHFFFAOYSA-N 300.326 -0.119 30 20 DBED C#CCOCCC(=O)NCCNc1nc(C)nc(N(C)C)n1 1093892853 GWGNAQYHWWGROP-UHFFFAOYSA-N 306.370 -0.186 30 20 DBED C[C@]1(C(=O)NCCN=c2cc[nH]cc2C#N)CCNC(=O)C1 1094233325 FFZVCRWOXWGOIV-HNNXBMFYSA-N 301.350 -0.180 30 20 DBED Cc1ocnc1C(=O)NCc1cn(C2CN(CC#N)C2)nn1 1094277737 WJLNDXWQTGKCLW-UHFFFAOYSA-N 301.310 -0.115 30 20 DBED CN1C[C@H](C(=O)NCCCNc2ccc(C#N)nc2)NC1=O 1094708774 DGLSAHVKXKTIQU-GFCCVEGCSA-N 302.338 -0.105 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)c3cc(CC)on3)CC2=O)C1 1094808071 HABPBHTXFQZQIX-LLVKDONJSA-N 316.361 -0.115 30 20 DBED Cn1nnc(C(=O)NC[C@@H](Nc2nccnc2C#N)C2CC2)n1 1096787311 AWFQARVCIAIYCP-SNVBAGLBSA-N 313.325 -0.508 30 20 DBED Cc1ccc(C#N)c(N[C@H](C)CNC(=O)Cn2cnnn2)n1 1097696603 ONOGIOHZEDXUHU-SNVBAGLBSA-N 300.326 -0.135 30 20 DBED CNC(=O)C1(C(=O)NC[C@@H](C)Nc2nccnc2C#N)CC1 1097938280 GLLYTUZXENIYML-SECBINFHSA-N 302.338 -0.209 30 20 DBED C[C@@H](CNC(=O)C[C@@H]1CC(=O)NC1=O)Nc1nccnc1C#N 1097944327 VWWPHQTUPHAMPM-DTWKUNHWSA-N 316.321 -0.682 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H](C)Nc1nccn2nnnc12 1098061924 WXZJNUQSWDHHSL-UWVGGRQHSA-N 303.326 -0.526 30 20 DBED C=C(C)CN(CCO)C1CCN(C(=O)[C@H](C)NC(N)=O)CC1 1098351469 REZJYACEJHKMJC-LBPRGKRZSA-N 312.414 -0.095 30 20 DBED N#CCNCc1cn([C@H]2CCN(C(=O)[C@H]3CCOC3)C2)nn1 1098633276 KUBSRVMMMDERFZ-AAEUAGOBSA-N 304.354 -0.299 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)C(C)(C)C(C)C)[C@H](O)C1 1099845268 UYPWIOYAYUOVFP-UONOGXRCSA-N 323.437 -0.031 30 20 DBED C=CCN1CC[C@H](NC(=O)CCn2cnccc2=O)[C@H](O)C1 1100055702 HLLYODOMMSJIFV-QWHCGFSZSA-N 306.366 -0.629 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)CS(=O)(=O)CC)[C@@H](O)C1 1100129410 MBXFPXIXIYRVJR-RYUDHWBXSA-N 304.412 -0.451 30 20 DBED C=CCCOCC(=O)N[C@H]1CCN(Cc2cnn(C)n2)C[C@H]1O 1100139307 OXHCITXYDYKZBI-UONOGXRCSA-N 323.397 -0.541 30 20 DBED CCN(CCNC(=O)C1CS(=O)(=O)C1)c1ccnc(C#N)n1 1100624154 WLXKMHNHXFHXQQ-UHFFFAOYSA-N 323.378 -0.665 30 20 DBED N#Cc1nccc(N2CCC[C@H]2CNC(=O)Cn2cncn2)n1 1100833367 OZQVEZPXQPDXKW-NSHDSACASA-N 312.337 -0.275 30 20 DBED C#CCOCCC(=O)N(C)CCNc1ccc2nnnn2n1 1101781438 QENSEQYZGJEHIB-UHFFFAOYSA-N 303.326 -0.571 30 20 DBED CCNC(=O)CC(=O)N(C)[C@@H]1CCN(c2ccc(C#N)nn2)C1 1102695214 BMELYWSENZLGND-GFCCVEGCSA-N 316.365 -0.088 30 20 DBED CC[C@H](CNC(=O)C[C@@H]1CCC(=O)N1)N=c1cc[nH]c(C#N)n1 1103125904 SNOPVUJDXIDPGB-MNOVXSKESA-N 316.365 -0.254 30 20 DBED CC[C@H](CNC(=O)CNC(=O)NC)N=c1cc[nH]c(C#N)n1 1103352287 DORFRSLLYRZWQC-SECBINFHSA-N 305.342 -0.994 30 20 DBED C[C@@H](CNc1ccc(C#N)nn1)N(C)C(=O)[C@H]1CCC(=O)N1 1104495880 CPGHYTFBZWJHCT-GXSJLCMTSA-N 302.338 -0.114 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)C[C@H]1CCC(=O)N1 1104614365 VTVSCOKMIMXYBQ-WDEREUQCSA-N 316.365 -0.302 30 20 DBED C=CCNCc1cn(C2CN(C(=O)[C@H]3OCCO[C@H]3C)C2)nn1 1105262295 UBXQPCNGMMCIBD-FZMZJTMJSA-N 321.381 -0.259 30 20 DBED CN(CCN(C)c1ccnc(C#N)n1)C(=O)c1c[nH]c(=O)cn1 1105532160 RSXCKVNECKJGPE-UHFFFAOYSA-N 313.321 -0.360 30 20 DBED Cc1ccc(C#N)c(N(C)CCN(C)C(=O)c2nnn(C)n2)n1 1105535234 LMQXERWKAPPCTF-UHFFFAOYSA-N 314.353 -0.006 30 20 DBED Cc1n[nH]cc1C(=O)NC[C@@H](O)CNc1cncc(C#N)n1 1106062076 BNJNQNKVWLBKDD-JTQLQIEISA-N 301.310 -0.417 30 20 DBED N#Cc1nccnc1NC[C@@H](O)CNC(=O)CCc1cn[nH]c1 1106132124 SXLRXQSPWVPJIQ-NSHDSACASA-N 315.337 -0.407 30 20 DBED C[C@@H]1OCCO[C@@H]1C(=O)NC[C@H](O)CN=c1cc[nH]cc1C#N 1106162338 YOQVSLZOMZAGRQ-SUHUHFCYSA-N 320.349 -0.932 30 20 DBED C[C@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)CCn1cncn1 1106230415 LHJTZKKMCASAKF-LLVKDONJSA-N 314.353 -0.241 30 20 DBED C[C@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)[C@H]1COCCN1C 1106277434 GGDRKCWHORNQCD-VXGBXAGGSA-N 318.381 -0.593 30 20 DBED C[C@H](CCNc1cncc(C#N)n1)NC(=O)[C@H]1CN(C)C(=O)N1 1106531814 QORMNCHDXCKSLB-MWLCHTKSSA-N 317.353 -0.321 30 20 DBED CCc1nc(C#N)cc(NC/C=C\CNC(=O)CNC(N)=O)n1 1107069432 CUUAQSCKBPHLMC-ARJAWSKDSA-N 317.353 -0.337 30 20 DBED CN1CCOC[C@@H]1C(=O)NC/C=C/CN=c1cc[nH]c(C#N)n1 1107162798 UXUNWHCSZNUQAB-QAVQXKDTSA-N 316.365 -0.815 30 20 DBED C[C@@]1(C(=O)NC/C=C\CNc2ccc(C#N)nn2)CCNC1=O 1107508996 UKWLDUQQHNTDAI-GWQWAINWSA-N 314.349 -0.041 30 20 DBED COCC(=O)NCCC(=O)N[C@H](C)CN=c1cc[nH]cc1C#N 1108167107 WWJVYUXHRGKESM-LLVKDONJSA-N 319.365 -0.556 30 20 DBED C=CCN1CCO[C@@](C)(CNC(=O)Cn2c(O)nnc2O)C1 1108367543 KJOZNBKJVNYWQY-ZDUSSCGKSA-N 311.342 -0.918 30 20 DBED CNC(=O)NC(C)(C)C(=O)N[C@@H](C)CNc1cncc(C#N)n1 1108405687 NPIRMWJWNWCGRT-VIFPVBQESA-N 319.369 -0.028 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCN(CC)[C@H]2CS(=O)(=O)C[C@H]21 1108471620 NODFOQBQUZHDMZ-SCRDCRAPSA-N 316.423 -0.357 30 20 DBED CCCCOCC(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1 1108526087 UHFPQDTYOZMYQC-LBPRGKRZSA-N 308.382 -0.272 30 20 DBED C[C@H](CN(C)c1nccnc1C#N)NC(=O)[C@@]1(C)CCNC1=O 1109240939 WYOYPFMEKZRFJW-BMIGLBTASA-N 316.365 -0.185 30 20 DBED Cc1nsc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)CNC(N)=O)c1C#N 1109680003 SFIXYVVFFAUMBU-POZPLHJXSA-N 320.378 -0.315 30 20 DBED C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NC(=O)NC 1110391649 XTKHWEXOFRQTPI-UTUOFQBUSA-N 324.381 -0.634 30 20 DBED N#Cc1cncc(NCCN(CCO)C(=O)c2cccnn2)n1 1111501031 GLIOLQRCJLJKTC-UHFFFAOYSA-N 313.321 -0.315 30 20 DBED CN(CCCN(C)c1ccc(C#N)cn1)C(=O)CNC(N)=O 1112033933 IMHILZNMBNZWGQ-UHFFFAOYSA-N 304.354 -0.094 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1112701707 KNAJKTQSJKVOGS-YPMHNXCESA-N 317.349 -0.536 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H]1[C@@H]2CN(Cc3cnnn3CC)C[C@@H]21 1114271234 RIRMQSIHRGSCOH-RZFFKMDDSA-N 317.393 -0.117 30 20 DBED C=CCC[C@@H](C)N1C[C@H]2[C@H](NC(=O)Cn3ncn(C)c3=O)[C@H]2C1 1114493947 PSUPCNCTKZMHCN-CXTNEJHOSA-N 319.409 -0.017 30 20 DBED Cc1ncccc1C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1114743786 QISIOZYDADRZSB-NHAGDIPZSA-N 313.361 -0.310 30 20 DBED C=CCCN1C[C@H]2[C@H](NC(=O)CCn3cc[nH]c(=O)c3=O)[C@H]2C1 1114986749 MCDWQTJXJDFRGN-IMRBUKKESA-N 318.377 -0.451 30 20 DBED C=C(C)CN1C[C@H]2C(NC(=O)CS(=O)(=O)N(C)C)[C@@H]2C1 1115186256 OROGUTNXVGCKAH-GHMZBOCLSA-N 301.412 -0.500 30 20 DBED C=C(C)CCN1C[C@H]2[C@H](NC(=O)CS(=O)(=O)N(C)C)[C@H]2C1 1115188932 UJQYWXZCQWCJJN-IMRBUKKESA-N 315.439 -0.110 30 20 DBED C#CCN1C[C@H]2[C@H](NC(=O)CS(=O)(=O)NC(C)(C)C)[C@H]2C1 1115254928 SJXCPSSMIWVCMZ-PJXYFTJBSA-N 313.423 -0.616 30 20 DBED CNC(=O)NCCC(=O)N(C)C[C@H](C)Nc1cnc(C#N)cn1 1115704782 XMMUMBZYHFYNDM-JTQLQIEISA-N 319.369 -0.074 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N[C@@H]1CCc2nc(C)nn2C1 1117285209 LFRGWBFTQZMGGN-CYBMUJFWSA-N 313.361 -0.497 30 20 DBED C#CCNC(=O)C1CCN(C(=O)C(=O)N[C@@H]2CO[C@@H](C)C2)CC1 1118232877 VQVQUOJKIIQYMS-AAEUAGOBSA-N 321.377 -0.732 30 20 DBED C=CCOCCNC(=O)C(=O)NCc1nnn(C(C)(C)C)n1 1118629856 XCSFDAUZGLKGKP-UHFFFAOYSA-N 310.358 -0.637 30 20 DBED C=CCn1nnnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1119716079 LCIFUVGYZQIBKY-ZDUSSCGKSA-N 319.413 -0.008 30 20 DBED C#CCOCCn1nnnc1N1CCC[C@@H](n2ccnn2)C1 1120251606 KPVQNPIQSZBXQA-GFCCVEGCSA-N 302.342 -0.244 30 20 DBED Cc1cc(C#N)nc(N[C@H](CO)CNC(=O)c2cnc(C)[nH]2)n1 1121236376 YBDNCVYTVOMSIK-NSHDSACASA-N 315.337 -0.109 30 20 DBED Cc1cc(C(=O)NC[C@@H](CO)Nc2nccnc2C#N)ncn1 1121311140 PALPWDYKRVAPNL-JTQLQIEISA-N 313.321 -0.351 30 20 DBED Cn1cnc(C(=O)NC[C@H](CO)Nc2ccc(C#N)nc2)n1 1121432549 NMMFIONJQKVTQO-LLVKDONJSA-N 301.310 -0.715 30 20 DBED C#CCOCCC(=O)NC[C@@H](CO)Nc1cc(C)nc(CO)n1 1122026491 CFZBPZBQPBKLGM-LBPRGKRZSA-N 322.365 -0.794 30 20 DBED CO[C@@]1(c2nnc(CNCCNC(=O)[C@@H](C)C#N)o2)CCOC1 1124895124 DIZGTWMRGNZYKC-HZMBPMFUSA-N 323.353 -0.303 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NCCNCc1nc(=O)n(C)[nH]1 1127605206 ULENDJYXOWIVAB-MNOVXSKESA-N 309.370 -0.705 30 20 DBED C[C@]1(C(=O)NCc2cnn3c2CN(CC#N)CC3)CNC(=O)C1 1128415765 AWTJLBISKBMBRY-OAHLLOKOSA-N 316.365 -0.635 30 20 DBED C#CCNC[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)COCC)n1 1130188012 UUEGOFQLAYJETI-RYUDHWBXSA-N 321.381 -0.447 30 20 DBED C[C@@H](C#N)C(=O)NCc1nc([C@H]2COCCN2CCF)n[nH]1 1130835881 SCQAYEBFOLISJS-VHSXEESVSA-N 310.333 -0.077 30 20 DBED C#CCN1CC[C@]2(C1)CN(C(=O)C(=O)NCC1CC1)C[C@@H](C)O2 1131692593 JINOOPXOJDYWIE-DYVFJYSZSA-N 319.405 -0.162 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)c1c[nH]nc1C 1132149921 MFRUMTWBFIFRQM-SNVBAGLBSA-N 322.369 -0.562 30 20 DBED C=CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)C(=O)NCC1CC1 1135785172 RUEAQRFLYLJLRL-NEPJUHHUSA-N 324.425 -0.312 30 20 DBED C=CCCOCC(=O)N[C@@H](C)C[C@@H](C)NCC(=O)NC(N)=O 1146692399 JNLJJCVUCZSCAN-MNOVXSKESA-N 314.386 -0.353 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)CC1(O)CCC1)C2 1147483193 KTPKTEVSSITFAM-UHFFFAOYSA-N 319.405 -0.425 30 20 DBED CCCNC(=O)CN1CCCO[C@@H](CNC(=O)[C@H](C)C#N)C1 1149405392 CBAYDFFLIRNKCX-OLZOCXBDSA-N 310.398 -0.121 30 20 DBED C=CCN1CCCO[C@@H](CNC(=O)CC[C@@H]2NC(=O)NC2=O)C1 1150684866 CCWCGFUJLXNTEY-RYUDHWBXSA-N 324.381 -0.632 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)c1nccnc1N 1152469903 CMIAONAAMSCSKX-SNVBAGLBSA-N 319.369 -0.861 30 20 DBED CCS(=O)(=O)NCC(=O)NCCC1=CCN(CC#N)CC1 1160279120 GODZZDQHJUDZMY-UHFFFAOYSA-N 314.411 -0.412 30 20 DBED N#CCNC(=O)CNCCCNC(=O)C(=O)Nc1ccccc1 1161771007 KTCSSPWDZCKKOT-UHFFFAOYSA-N 317.349 -0.639 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1cnn(C(F)F)c1 1169262417 BHAUSUXVTIAUTJ-UHFFFAOYSA-N 313.308 -0.263 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)C[C@@H]1CCN(C)C1 1171226669 JCHDTTJAONNQQP-KGLIPLIRSA-N 308.426 -0.438 30 20 DBED CC[C@H](C(=O)NCCCNCC(=O)NCC#N)N1CCCC1=O 1176476872 GVHBEOPPHGUOKE-GFCCVEGCSA-N 323.397 -0.877 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)COC)C1 1180547009 LADKWMTUPUZXBH-GHMZBOCLSA-N 312.370 -0.776 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2cc(C)nn2C)C1 1181286843 IAOFGDYGQMLMOZ-QWHCGFSZSA-N 317.393 -0.329 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](NCC(=O)N2CCOCC2)C1 1182496799 RHTQXNVTKZJIOS-CQSZACIVSA-N 323.393 -0.924 30 20 DBED C=C(C)CNCc1cn([C@@H]2CCCN(C(=O)C(N)=O)C2)nn1 1185992216 GXLVIZCTOVAKBX-GFCCVEGCSA-N 306.370 -0.407 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2coc(COC)n2)C1 1186671895 NZOWBOCHDUFQBF-LLVKDONJSA-N 320.349 -0.626 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)Cc3cnc[nH]3)[C@@H]2C1 1189245579 ASCLHIVTBBNAQS-GXTWGEPZSA-N 315.377 -0.766 30 20 DBED CN(CC(=O)NCC#N)[C@H]1CCN(C(=O)Cc2cnn(C)c2)C1 1189251217 OKDQTWRNPBLELK-ZDUSSCGKSA-N 318.381 -0.865 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(CC2CCCC2)C[C@H]1O 1192382434 KHRRLFXROZMPES-ZIAGYGMSSA-N 307.394 -0.523 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(Cc2cnc(C)o2)C[C@H]1O 1192531283 ULFCHHXCNVBWCI-NFAWXSAZSA-N 309.366 -0.029 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2nnc(C)s2)C[C@H]1O 1192885923 HVMJBXNUVXEGJH-VXGBXAGGSA-N 324.406 -0.452 30 20 DBED CCn1cnc(C(=O)N2CC[C@H](N(C)CC(=O)NCC#N)C2)c1 1193487875 GEPGWRLVCHFMIC-LBPRGKRZSA-N 318.381 -0.311 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)c2cn(C)nc2CC)C1 1193978499 QEUXANKASXFNAH-HUUCEWRRSA-N 322.409 -0.040 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC2(C)C)C1 1195365120 BHZCCLPYSJGIOB-BFHYXJOUSA-N 321.421 -0.277 30 20 DBED C=C[C@H](CC)CC(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1O 1195555044 WLEGSZNGIIEVTM-JHJVBQTASA-N 308.382 -0.610 30 20 DBED C[C@@H](C(=O)N1CCC(NCC(=O)NCC#N)CC1)n1cccn1 1199406817 KMYQNGINFTZKCM-LBPRGKRZSA-N 318.381 -0.336 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)CCc2cn(C)nn2)C1 1199514961 MMETUIHNENNJQC-VXGBXAGGSA-N 313.789 -0.339 30 20 DBED C=CCNC[C@@H]1CN(C(=O)CNS(=O)(=O)CC)CCCO1 1200648017 DUEJGTMKQGQEDD-GFCCVEGCSA-N 319.427 -0.681 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)[C@@H](C)NC(=O)CC)CC1 1200711473 VVORVJVNFXMVJW-GFCCVEGCSA-N 324.425 -0.216 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)CCc2cnn(C)n2)CCCO1 1201418921 CMPLQEBFBNBWRH-OAHLLOKOSA-N 319.409 -0.022 30 20 DBED CC(C)S(=O)(=O)CC(=O)N1CCCO[C@@H](CNCC#N)C1 1202096590 CUJHBBWYUJYPHR-LBPRGKRZSA-N 317.411 -0.460 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@H](NCc2cnnn2C)C1 1207869980 NRQVXEOLBVNVJF-LBPRGKRZSA-N 318.381 -0.965 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)c2cncnc2)C1 1207871970 HFPDZDQICPOHRD-CYBMUJFWSA-N 301.350 -0.580 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)CN(CC)CC)[C@H](C)C1 1209642112 BFCINZJAXDEBBV-RBSFLKMASA-N 322.453 -0.097 30 20 DBED C=CCOCCN1C[C@@H](NC(=O)Cc2cnc[nH]2)[C@H](OC)C1 1213488923 LJWRXSJKTHYRHM-ZIAGYGMSSA-N 308.382 -0.030 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)[C@H]2CCCNC2=O)C[C@H]1C 1214902506 RVMSVBSWDJPUQW-HZSPNIEDSA-N 307.394 -0.401 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2ncoc2C)C1 1219284023 JDPKJVQSCOUJMI-MNOVXSKESA-N 308.338 -0.940 30 20 DBED Cc1cc(NC(=O)CN2C[C@H](O)[C@H](NC(=O)[C@H](C)C#N)C2)on1 1219365682 DIPDLXIMSNTGEZ-IEBDPFPHSA-N 321.337 -0.758 30 20 DBED Cc1noc(CCCN2C[C@H](O)[C@H](NC(=O)[C@@H](C)C#N)C2)n1 1219379530 UGJMRNNUXXWNSA-WCQGTBRESA-N 307.354 -0.368 30 20 DBED CCN(CCC#N)C(=O)CN1C[C@H](O)[C@H](NC(=O)C(C)(C)C)C1 1220822334 UHFBWKURYFYWTG-OLZOCXBDSA-N 324.425 -0.044 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)c2cnn(C)c2OC)C1 1220857214 PEFBYDPMKICYTD-OLZOCXBDSA-N 324.381 -0.594 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)C(C)(C)NC(=O)NCC=C)C1 1221089417 DQKMTVWQFUGMOP-OLZOCXBDSA-N 324.425 -0.012 30 20 DBED Cc1nnccc1C(=O)NC1CCN(CC(=O)NCC#N)CC1 1228169483 WSUMKBDONWJHPT-UHFFFAOYSA-N 316.365 -0.381 30 20 DBED C#CCSCCNC(=O)C(=O)N[C@H](C)[C@H]1CN(C)CCO1 1261092973 VRUBOPUVSALKFF-VXGBXAGGSA-N 313.423 -0.696 30 20 DBED CO[C@H]1CCN(C(=O)C(=O)N2CCN(CCC#N)CC2)C[C@H]1C 1261872845 CKVJARFMSSQJKD-KGLIPLIRSA-N 322.409 -0.072 30 20 DBED C[C@@H](C(=O)NC1(C#N)CCC1)N1CCC2(CC1)NC(=O)NC2=O 1321748197 IUUBUGNFLUHHIJ-JTQLQIEISA-N 319.365 -0.389 30 20 DBED CC(=O)NCC[C@H]1CCCN(C(=O)NCC(=O)NCC#N)C1 1323104420 ZUIVWRDRDFCRCC-GFCCVEGCSA-N 309.370 -0.426 30 20 DBED C#C[C@H](NC(=O)C(=O)Nc1cnn(CC#N)c1)[C@@H]1CCCO1 1324121350 OINXHCHMZFTLMM-RYUDHWBXSA-N 301.306 -0.358 30 20 DBED C#C[C@H](NC(=O)C(=O)N(C)CC(=O)N1CCCC1)[C@@H]1CCCO1 1328077637 XMZUHFSCECKPKS-STQMWFEESA-N 321.377 -0.636 30 20 DBED C=C[C@H](COC)NC(=O)N1CCC(n2cc(C(N)=O)nn2)CC1 1331531896 GNDRTCMUZZWWEG-SNVBAGLBSA-N 322.369 -0.076 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)N2CC[C@H](N3CC=CC3)C2)C1 1332387066 SNUNAWVCOOMUSE-BBRMVZONSA-N 318.377 -0.664 30 20 DBED C#CCOCCNC(=O)C(=O)N[C@H](c1cnn(C)c1)C(C)C 1333309750 TVEBAIJILUUNBE-ZDUSSCGKSA-N 306.366 -0.001 30 20 DBED C=CCN1CC[C@H](N(C)c2nnnn2C[C@H]2CCOC2)C1=O 1333728904 GZPDIUKIWZJZBK-NEPJUHHUSA-N 306.370 -0.067 30 20 DBED C=C(C)COCCn1nnnc1N(C)CCS(C)(=O)=O 1335882475 WVJHGOHACWANJX-UHFFFAOYSA-N 303.388 -0.253 30 20 DBED C=CCn1c(CCO)nnc1N1CCN(CC(=O)NCC)CC1 1339220158 YBSNHVVDEOLKDR-UHFFFAOYSA-N 322.413 -0.743 30 20 DBED C=C(C)Cn1c(CCO)nnc1N1CCN2CCOC[C@H]2C1 1341877371 CIBCUUSTZRAORL-CYBMUJFWSA-N 307.398 -0.090 30 20 DBED N#Cc1ccc(NCCNC(=O)C(=O)Nc2cnns2)nc1 1343675307 WIOWONCYUVXPFC-UHFFFAOYSA-N 317.334 -0.028 30 20 DBED C=CCOCCn1nnnc1N1CCC2(CCNC2=O)CC1 1344013958 WWBXIFVWOOYYEW-UHFFFAOYSA-N 306.370 -0.018 30 20 DBED C=CCCn1cc(C(=O)N(C)CCNS(C)(=O)=O)nn1 1345639970 VSESGDIHXLTNRQ-UHFFFAOYSA-N 301.372 -0.525 30 20 DBED C[C@@H](C#N)CN(C)C(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1348615867 FBBWGZKTLNQLRZ-WCQYABFASA-N 303.366 -0.197 30 20 DBED C[C@@H](C(=O)NC1(C#N)CCC1)N1CCC(C(=O)NCCO)CC1 1349658886 QKAJXIRKQSFQDP-LBPRGKRZSA-N 322.409 -0.242 30 20 DBED C#CCOCCNC(=O)C(=O)N1CC[C@@H](CN2CCCC2=O)C1 1350766929 IYQBGWPNAWZDIY-ZDUSSCGKSA-N 321.377 -0.777 30 20 DBED C#CC[C@H](CO)NC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C 1354149627 TXEPKLUDXBFKLM-KGLIPLIRSA-N 324.425 -0.388 30 20 DBED C[C@H]1CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)[C@H]1CO 1362503758 UEOPBRDKOVQZNQ-ONGXEEELSA-N 306.322 -0.560 30 20 DBED N#Cc1ccc(NCC(=O)NC2CCN(CC(N)=O)CC2)nc1 1363499858 WISGQKLNKJLCQI-UHFFFAOYSA-N 316.365 -0.569 30 20 DBED N#Cc1ccc(NCC(=O)N(CC(N)=O)C2CCOCC2)nc1 1363549742 XHBWGCLFZSVKOO-UHFFFAOYSA-N 317.349 -0.142 30 20 DBED CCOC(=O)[C@H]1CCN(C(=O)NCCn2cnc(C#N)n2)C1 1365156359 SEHNTLXINWRVMF-JTQLQIEISA-N 306.326 -0.256 30 20 DBED Cc1nccnc1CCNC(=O)NCCn1cnc(C#N)n1 1369785233 PKDCJEWMQTUSIU-UHFFFAOYSA-N 300.326 -0.210 30 20 DBED CNC(=O)c1cccc(C(=O)NC[C@H](C)NC(=O)[C@@H](C)C#N)n1 1373020829 NLGKQPLZNQNICW-UWVGGRQHSA-N 317.349 -0.165 30 20 DBED C=C(Br)CN1CC[C@H]1CNC(=O)Cn1cnnn1 1379936814 BLFKPLFMAURYKY-VIFPVBQESA-N 315.175 -0.228 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)CCc2ncccn2)C1 1384826215 RIYOZWQMYWXHDP-UTUOFQBUSA-N 317.349 -0.743 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H](CNC(=O)Cn2ncnn2)C1 1386034867 CBRIJMKBOBXHAO-MNOVXSKESA-N 305.342 -0.812 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)[C@H]2CCc3nncn3C2)CC1 1389960739 NCJRCNPBRQUBID-QWRGUYRKSA-N 316.365 -0.235 30 20 DBED CCN(CCC#N)C(=O)CN1CC[C@H](NC(=O)c2cc[nH]n2)C1 1391541441 UICQATNWFYODCB-LBPRGKRZSA-N 318.381 -0.024 30 20 DBED CCNC(=O)NC(=O)CN[C@H]1C[C@@H](CNC(=O)[C@@H](C)C#N)C1 1397054189 KQHDQXZFXSIHKP-GARJFASQSA-N 309.370 -0.524 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](NC(=O)CCNC(N)=O)C1CCCC1 1410949716 BIPZTKSDPFGWIW-JQWIXIFHSA-N 323.397 -0.004 30 20 DBED C[C@@H](C#N)C(=O)NCCN1CCN(CC(=O)N2CCCC2)CC1 1417917654 ODVPQQIZTWSJAM-AWEZNQCLSA-N 321.425 -0.498 30 20 DBED CCN(CCC#N)C(=O)CN1CC[C@@H]1CNC(=O)CNC(C)=O 1423052329 UHTVBERDLXDKNN-CYBMUJFWSA-N 323.397 -0.925 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]1CN(C)C(=O)CCN1CCOCC1 1452856697 BCVMUFXIOVMIQB-KGLIPLIRSA-N 322.409 -0.072 30 20 DBED C[C@@H](NS(=O)(=O)N1CCO[C@@H](C#N)C1)c1nccc(N)n1 1464232754 QQWOZXHUXSAEAL-BDAKNGLRSA-N 312.355 -0.821 30 20 DBED CC[C@@H](CNC(=O)CN1CCC(=O)NC1=O)NC(=O)[C@@H](C)C#N 1499372301 OBXWFVZVKRXAMZ-UWVGGRQHSA-N 323.353 -0.901 30 20 DBED CN1CCO[C@H](C(=O)NCCN(C)C(=O)c2cc(C#N)c[nH]2)C1 1528003773 DVVGJHYMUOZYSN-ZDUSSCGKSA-N 319.365 -0.595 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3C[C@@H]3C(=O)O)C2)[nH]1 1571129073 WTMOFXUGQILSJX-NAKRPEOUSA-N 316.317 -0.016 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@H](N(C)C(=O)CNC(=O)O)C1 1573311379 NVIHRGYPAGJOOD-QWRGUYRKSA-N 311.338 -0.648 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nn[nH]n3)cn2)C1 1573586270 NCWZKELGGZSXDT-HLTSFMKQSA-N 313.325 -0.125 30 20 DBED N#Cc1cn(CC(=O)NC2CCC(C(=O)O)CC2)c(=O)nc1O 1574249362 VRPUIMFPALAJGK-UHFFFAOYSA-N 320.305 -0.420 30 20 DBED C#CCN(C1CCNCC1)S(=O)(=O)[C@H]1C[C@@H](C(=O)OC)C1 1574614800 KGWDIVFNIXYSQH-BJHJDKERSA-N 314.407 -0.045 30 20 DBED CC[C@@H]1NCC[C@@H]1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1577304055 IQUYFQAGRTUDJU-ZJQBRPOHSA-N 311.407 -0.229 30 20 DBED CN(C)S(=O)(=O)C1(CNC(=O)[C@H](N)CCCC#N)CC1 1578420279 DQHQLSOVKHLNBE-SNVBAGLBSA-N 302.400 -0.452 30 20 DBED N#C[C@]12CN(C(=O)c3ccnc(CN)c3)C[C@H]1CS(=O)(=O)C2 1580057218 PUQFKBAPQXUHOW-SMDDNHRTSA-N 320.374 -0.449 30 20 DBED C#CCN(CC(=O)O)C(=O)c1coc(CS(C)(=O)=O)n1 1588418510 JUUTYHNPLSUSTG-UHFFFAOYSA-N 300.292 -0.621 30 20 DBED C=CCCn1cc(C(=O)O[C@@H]2CCN(CC(=O)O)C2=O)nn1 1588460685 RXTHANOKLOHOJI-SNVBAGLBSA-N 308.294 -0.304 30 20 DBED C=CCOC[C@@H](NC(=O)C1CC2(C1)CS(=O)(=O)C2)C(=O)O 1588855194 BOYZIJTWBNSJKY-SNVBAGLBSA-N 317.363 -0.417 30 20 DBED C=C[C@@H]1OCC[C@H]1Cn1nnnc1N1C[C@@H](C(=O)O)O[C@H](C)C1 1588917984 OAOSIFXCVDUCRM-RHYQMDGZSA-N 323.353 -0.058 30 20 DBED COC[C@](C)(CC(=O)O)NS(=O)(=O)N(C)C[C@H](C)C#N 1599150522 QIXZDCHMRYNELQ-KOLCDFICSA-N 307.372 -0.208 30 20 DBED C=C1CC(C)(C(=O)NCCN=c2cc[nH]c(-c3nn[nH]n3)n2)C1 1602772998 INSCFIVSPYIVBE-UHFFFAOYSA-N 314.353 -0.037 30 20 DBED C=CCNC(=O)[C@@H](C)N(C)CCCNC(=O)C1CN(C(C)=O)C1 1751988286 OFWVYPLGLPMODT-GFCCVEGCSA-N 324.425 -0.407 30 20 DBED C=CCNC(=O)[C@H](C)N[C@H]1C[C@H](NC(=O)c2cnc(O)n2C)C1 1752651964 WRRRQALMMUFSDX-DCAQKATOSA-N 321.381 -0.333 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@@H](NC(=O)[C@H]2CCC[C@@H]2OC)C1 1752737255 KUWXONPLWIKBOC-CRWXNKLISA-N 307.394 -0.212 30 20 DBED C#CCNC[C@H]1CCCN(C(=O)CCn2ncn(C)c2=O)C1 1752805309 ODMVTSYNGPSHID-CYBMUJFWSA-N 305.382 -0.567 30 20 DBED COCC(C)(C)C(=O)N1C[C@@H]2CC[C@H](C1)N2CC(=O)NCC#N 1753307471 FXLDGZYBVZFBBF-BETUJISGSA-N 322.409 -0.026 30 20 DBED C=CCNC(=O)CN1CC(CNC(=O)[C@H]2CCCN2C(C)=O)C1 1753416147 YSKMOHZDTSEYDR-CQSZACIVSA-N 322.409 -0.653 30 20 DBED C=C(C)CCN1CC[C@@H]1CNC(=O)Cn1cnc(C(N)=O)n1 1754482687 QTYGPTPIGDUFTO-LLVKDONJSA-N 306.370 -0.466 30 20 DBED C=CCNC(=O)CN1CC[C@H]1CNC(=O)CN1CC[C@@H](C)C1 1754493730 FDCLFUNYHIKCJZ-KGLIPLIRSA-N 308.426 -0.179 30 20 DBED C#CCN1CC[C@]2(CCN(C(=O)COCc3nncn3C)C2)C1 1754567180 HRBPIISFFLLGES-INIZCTEOSA-N 317.393 -0.111 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@@](C)(NC(=O)Cc2cc[nH]n2)C1 1754671618 OMKRCYIVDVCKHD-MLGOLLRUSA-N 317.393 -0.329 30 20 DBED C=C(C)CNC1(CNC(=O)CNS(=O)(=O)N(C)C)CCC1 1754987693 AYROLFZBFDCLRA-UHFFFAOYSA-N 318.443 -0.413 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)CCc3ccnn3C)CO2)C1 1755061034 DOIXIKFQERDHAS-ZDUSSCGKSA-N 302.378 -0.055 30 20 DBED C#CCNCC1CC(NC(=O)Cc2ccc(C(N)=O)nc2)C1 1755213368 DLTRLJXIPBNEIL-UHFFFAOYSA-N 300.362 -0.159 30 20 DBED CN(C)CCCC(=O)NCC1[C@H]2CN(CC(=O)NCC#N)C[C@H]12 1755427361 DOUQWQOQDXVWHB-ZIAGYGMSSA-N 321.425 -0.738 30 20 DBED C=CCNC[C@@H]1CC2(CCN(C(=O)Cn3ncnn3)CC2)CO1 1755464399 LHIYSBPBPGKRFL-ZDUSSCGKSA-N 320.397 -0.154 30 20 DBED CC#CCN(C)CCOCCNC(=O)[C@H]1CCCN(C(N)=O)C1 1755541823 NSVPJBZUFJRRHF-AWEZNQCLSA-N 324.425 -0.135 30 20 DBED C=C(C)CCNC[C@H](O)CN(C)C(=O)Cn1ccc(O)nc1=O 1755783678 WOSQAYWBYBROCI-LBPRGKRZSA-N 324.381 -0.676 30 20 DBED C=CCOCC(=O)N1C[C@H]2CC[C@H]1CN2C(=O)[C@H](C)CC(N)=O 1756164059 YEDOOMSBBDAJLV-FRRDWIJNSA-N 323.393 -0.098 30 20 DBED C[C@@H](C(=O)NC[C@H](CO)NC(=O)CSCC#N)n1cccc1 1756513081 AFJLMXXNLDNLED-NWDGAFQWSA-N 324.406 -0.101 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H](O)CN(C)C(=O)[C@@H](C)CC 1756654225 TVDHJBZKFNVCAG-RYUDHWBXSA-N 311.382 -0.893 30 20 DBED C=CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)CNC(=N)N)C2 1841608498 XQLFRGFNRCYKEN-LLVKDONJSA-N 323.397 -0.736 30 20 DBED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)[C@@H]2CCCO2)C1 1846148288 BIYIBSNSZJCVQD-NSHDSACASA-N 306.318 -0.543 30 20 DBED C=CCNC(=O)COC(=O)CN1C(=O)NC(CC)(CC)C1=O 10166547 NOWHYULRWZYUCV-UHFFFAOYSA-N 311.338 -0.058 30 20 DBED C=CCN(CC(=O)N1CCO[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 66560632 OYJNLINMBUMFOE-QWHCGFSZSA-N 316.423 -0.091 30 20 DBED Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)N1CCO[C@@H](C#N)C1 106291895 VHNNZYSMOYRXOA-NSHDSACASA-N 315.333 -0.067 30 20 DBED C=CCCOCCNC(=O)C(=O)N1CC(=O)N[C@@H]2CCCC[C@H]21 289418368 PKQAATDCNIUZAL-CHWSQXEVSA-N 323.393 -0.035 30 20 DBED C#Cc1ccccc1CC(=O)N1CCN(S(N)(=O)=O)CC1 290394601 DOXOPZADAGQBLY-UHFFFAOYSA-N 307.375 -0.442 30 20 DBED CC1(C)COCCN1CC/N=C(/O)NCC1(CO)COC1 328600394 CXLOQHJQXSVVMH-UHFFFAOYSA-N 301.387 -0.390 30 20 DBED CC[C@@H]1CN(C(=O)Cn2cnc(C#N)n2)C[C@]2(CCOC2)O1 330061489 OJHYHXDIEWVDSQ-RISCZKNCSA-N 305.338 -0.054 30 20 DBED CN1CCO[C@H](C/N=C(/O)c2coc(S(N)(=O)=O)c2)C1 330484260 XCKAEKOMRDYPBA-SECBINFHSA-N 303.340 -0.438 30 20 DBED CC(=O)N1CCN(C(=O)CCNC(=O)c2cc(C#N)c[nH]2)CC1 331083100 MUNXVSGGFJYYAV-UHFFFAOYSA-N 317.349 -0.303 30 20 DBED CN(C)C(=O)[C@H]1CCC[C@@H](NC(=O)Cn2cnc(C#N)n2)C1 331172226 VUFLIFYKCVGHLL-WDEREUQCSA-N 304.354 -0.087 30 20 DBED CNS(=O)(=O)CC/N=C(/O)N1CCN(CC(F)F)CC1 331269597 TYMGNWUWWZKOAZ-UHFFFAOYSA-N 314.358 -0.668 30 20 DBED CC(C)COC[C@H](O)CNS(=O)(=O)N(C)C[C@H](C)C#N 337088647 HNNQQRCHWRDFFI-VXGBXAGGSA-N 307.416 -0.054 30 20 DBED N#Cc1ccsc1NC(=O)C(=O)N1CCN2C(=O)NC[C@@H]2C1 340109971 VEVQLCASRNMSSJ-SECBINFHSA-N 319.346 -0.206 30 20 DBED CC(=O)N[C@@H](CC1CCC1)C(=O)NCCn1cnc(C#N)n1 342876005 VTBGIWAPKNOKPO-LBPRGKRZSA-N 304.354 -0.039 30 20 DBED CCS(=O)(=O)N1CCN(CC(=O)NC2(C#N)CCC2)CC1 346862294 BOGSSVHHFJCVNV-UHFFFAOYSA-N 314.411 -0.484 30 20 DBED C=CCOC[C@@H]1NC(=O)N(CCn2cc([N+](=O)[O-])cn2)C1=O 348603569 GVRWEUKJZDDQBE-JTQLQIEISA-N 309.282 -0.086 30 20 DBED COC(=O)[C@H](O)CNS(=O)(=O)c1ccc(F)cc1C#N 352069376 LUHVBJOOEWCXLD-SECBINFHSA-N 302.283 -0.490 30 20 DBED CN(C[C@H](O)CO)C(=O)c1ccc(-n2ncc(C#N)c2N)cc1 355605571 LFLWTWNTXFUCLO-ZDUSSCGKSA-N 315.333 -0.249 30 20 DBED N#CCNC(=O)CNC(=O)C(=O)Nc1cc(F)c(F)c(F)c1 357298986 BZZWVQLYBZUISM-UHFFFAOYSA-N 314.223 -0.202 30 20 DBED C=CCNC(=O)NC(=O)CN(CCO)Cc1cnn(CC)c1 361341144 MTOUINBKCOOTCJ-UHFFFAOYSA-N 309.370 -0.291 30 20 DBED Cn1c(N2CC(C(=O)OC(C)(C)C)C2)c(C#N)c(=O)n(C)c1=O 450696757 LUKPXDXCSLEQLP-UHFFFAOYSA-N 320.349 -0.266 30 20 DBED CCO[C@@H]1COC[C@H]1NS(=O)(=O)N(CCC#N)CCOC 452046012 YEDIHGLKQGLLHM-VXGBXAGGSA-N 321.399 -0.513 30 20 DBED C#CCN1CCN(C(=O)Cn2ccnc2S(C)(=O)=O)CC1 490761944 CWOGSCDWXZIBOV-UHFFFAOYSA-N 310.379 -0.936 30 20 DBED C#CCN(CC#CC)CCn1cnc2c1c(=O)n(C)c(=O)n2C 490916493 SQASRTPNSNICCL-UHFFFAOYSA-N 313.361 -0.608 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CCC(=O)[C@H](C)C2)CC1 491711370 WEYJNPHESQRQIV-KGLIPLIRSA-N 319.405 -0.115 30 20 DBED N#Cc1cccc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1 514614974 NDILSCAGONWYMW-WCQYABFASA-N 320.374 -0.509 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N[C@@H](C(=O)O)[C@H]1CCOC1 563227864 YWRFSAPHUXDWRJ-KXUCPTDWSA-N 305.356 -0.456 30 20 DBED CC(C)(C#N)CCS(=O)(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 563256914 DVOYUFYRMWWOFL-SNVBAGLBSA-N 323.440 -0.120 30 20 DBED CN(CC(=O)O)C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 568089059 FSXOOVTVGZAUHX-UHFFFAOYSA-N 311.319 -0.620 30 20 DBED C=CCOC[C@H](NS(=O)(=O)c1cn(C)nc1C)C(=O)O 569337068 ZZVSCOBOQXMQBT-VIFPVBQESA-N 303.340 -0.337 30 20 DBED C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CC(C#N)C1 590485324 YZYAYKJMCVAZIH-AWEZNQCLSA-N 320.349 -0.416 30 20 DBED CN(CC1=CCCOC1)S(=O)(=O)N1CCO[C@@H](C#N)C1 594843288 BPPCJMDBJOOWNA-LBPRGKRZSA-N 301.368 -0.266 30 20 DBED N#Cc1sccc1N1CCN(Cc2nc(=N)[nH]c(=N)[nH]2)CC1 595631240 CKKPSNUKDKHROG-UHFFFAOYSA-N 316.394 -0.048 30 20 DBED C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C#N)CO 597750024 SFPHUKOXUOPIRY-WCBMZHEXSA-N 306.278 -0.286 30 20 DBED C[C@@H](C#N)N(C(=O)CNS(=O)(=O)c1cnn(C)c1)C1CC1 598132812 RQAXSDWIDKAYOK-VIFPVBQESA-N 311.367 -0.399 30 20 DBED CN1CCN(C(=O)Cn2cc(-c3cncc(C#N)c3)nn2)CC1 603179938 ZTLLAFLSVJUCKD-UHFFFAOYSA-N 311.349 -0.014 30 20 DBED COCCN(CCC#N)CC(=O)N1CCC[C@@H](NC(C)=O)C1 610391732 LOGUKWYWBRBHQL-CQSZACIVSA-N 310.398 -0.024 30 20 DBED C=CC[C@H](NC(=O)NCCCN(C)S(C)(=O)=O)C(=O)O 692438243 DLVWVSRKLNNNQU-VIFPVBQESA-N 307.372 -0.404 30 20 DBED C=CCN1CCC(NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)CC1 730549842 QUKXGKYMJXJBIE-UHFFFAOYSA-N 316.365 -0.162 30 20 DBED Cn1cc(C[C@@H]2CC(=O)N(CN3CCOC[C@H]3C#N)C2=O)cn1 746380992 ULIXXIACUQTJMF-CHWSQXEVSA-N 317.349 -0.480 30 20 DBED CC(C)N1C[C@@H](NC(=O)C(=O)Nc2cnn(CC#N)c2)CC1=O 746431577 FTWXVAMJIIZORY-JTQLQIEISA-N 318.337 -0.529 30 20 DBED CNC(=O)CNC(=S)NN=Cc1ccc2c(c1)oc(=O)n2C 754942679 DMXJMFYOFLASSV-UHFFFAOYSA-N 321.362 -0.325 30 20 DBED C#CCOc1ccccc1NC(=O)C(=O)NCc1nnn(C)n1 787660442 GUBDRWDINAVOQU-UHFFFAOYSA-N 314.305 -0.523 30 20 DBED C=CCS(=O)(=O)CCNC(=O)NC[C@]1(O)CCO[C@@H]1C 789173350 MZRITVLKOJDKPQ-ZYHUDNBSSA-N 306.384 -0.574 30 20 DBED C=CCN1CC[C@H](OC(=O)c2coc(S(N)(=O)=O)c2)C1=O 798639645 CUMGOUDRZMNVMS-VIFPVBQESA-N 314.319 -0.129 30 20 DBED CCN(C)C(=O)CNC(=O)C(=O)NCc1cc(C#N)ccc1F 808946024 MCFXPKYFSJLIGI-UHFFFAOYSA-N 320.324 -0.092 30 20 DBED C#C[C@H](NC(=O)C(=O)N(C)CCNC(=O)N(C)C)[C@H]1CCCO1 809312177 LKJHJMWHHHCGLY-NWDGAFQWSA-N 324.381 -0.987 30 20 DBED CC(C)[C@](C)(C#N)NC(=O)Cn1cnc(-c2nn[nH]n2)c1C#N 824185397 YLLCNISZWNONNM-ZDUSSCGKSA-N 313.325 -0.011 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N[C@H](C#C)[C@H]1CCCO1 829213981 DMJJYSVDRBYSRV-ZIAGYGMSSA-N 306.362 -0.218 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)OCCC2(O)CCC2)C1=O 840222912 XSMKYZVUBIUFAT-UHFFFAOYSA-N 310.306 -0.189 30 20 DBED Cc1nn(CC(=O)OCC(=O)N[C@@](C)(C#N)C2CC2)c(=O)n1C 848846962 PSJHYAJJGGDSQN-AWEZNQCLSA-N 321.337 -0.758 30 20 DBED Cn1c(N2CC(C)(C)CC[C@H]2CO)c(C#N)c(=O)n(C)c1=O 863949020 YZUWBXMWJGYNJO-JTQLQIEISA-N 306.366 -0.057 30 20 DBED C#CC1(O)CN(C(=O)[C@@H](C)N2C(=O)[C@H]3CCCC[C@H]3C2=O)C1 890520414 ZQHSWSWWMGCIHL-UTUOFQBUSA-N 304.346 -0.243 30 20 DBED C#CC1(O)CN(C(=O)[C@@H](O)[C@@H](O)c2nc3ccccc3s2)C1 890524372 LPTLQQDXRGNIKM-NEPJUHHUSA-N 318.354 -0.103 30 20 DBED CNC(=O)CN1CCN(S(=O)(=O)CC(C)(C)C#N)CC1 913934697 QWDOGWLGDMYVJI-UHFFFAOYSA-N 302.400 -0.770 30 20 DBED C[C@]1(C2CC2)NC(=O)N(CC(=O)[C@H](C#N)C(=O)NC2CC2)C1=O 916926525 HQZNPFDLPBVPBS-ZUZCIYMTSA-N 318.333 -0.306 30 20 DBED C#CCN1CCC(NC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)CC1 928648313 KPLAUHONDZNLJI-KGLIPLIRSA-N 307.394 -0.164 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1nccnc1N 936651657 DJBZALPWSMSNCM-GUBZILKMSA-N 300.322 -0.356 30 20 DBED CN(C(=O)c1cnn[nH]1)[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 937172888 BVFNJCCHQKHNCB-SNVBAGLBSA-N 313.321 -0.009 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(=O)n(C)c1 937517223 OSKPQOVMDYSVSC-DRZSPHRISA-N 314.345 -0.030 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](NC(=O)c2cccc(=O)n2C)C1 938706941 JXUOMTQPBUEEPM-MNOVXSKESA-N 302.334 -0.124 30 20 DBED C[C@@H]1OCCO[C@@H]1C(=O)N[C@@H]1CCN(C(=O)C#CC2CC2)C1 941245900 LYWXJVSOCARSJY-LNSITVRQSA-N 306.362 -0.079 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)[C@@H]2[C@H]3COC[C@H]32)C1 944725620 IPMUNKKCZTZTGQ-JZRPKSSGSA-N 307.350 -0.618 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]1CNC(=O)c1c[nH]c(C(N)=O)c1 950095930 HZLJLYVHSHZNNT-SCZZXKLOSA-N 303.322 -0.396 30 20 DBED O=C1N[C@@H](C(=O)N[C@H]2CCCN(C(=O)C#CC3CC3)C2)CO1 950760152 YUEFCXYKTOWILK-NWDGAFQWSA-N 305.334 -0.385 30 20 DBED C#CCCN1C[C@H](CNC(=O)c2cncc(OC)n2)[C@@H](O)C1 958462920 IWBYXAJVQJHRIQ-AAEUAGOBSA-N 304.350 -0.469 30 20 DBED CC#CCN1C[C@H](CNC(=O)c2cnc(OCC)cn2)[C@@H](O)C1 958761881 ATWMCUXHQXCWRE-JSGCOSHPSA-N 318.377 -0.079 30 20 DBED C[C@@H](NC(=O)c1ccc(C#N)[nH]1)[C@@H]1CCN(C(=O)C(N)=O)C1 959259242 ZXHODQBMEKJYNE-RKDXNWHRSA-N 303.322 -0.662 30 20 DBED Cc1cc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)n(C)n1 961775663 RDNQKMVUAWHROR-UISBYWKRSA-N 305.338 -0.810 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)c1cnnc(O)c1 964237845 QLEFHFARBASSPI-GXSJLCMTSA-N 319.321 -0.701 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CCCNC1=O 969214078 GEICPOYUVQBNCE-NDBYEHHHSA-N 318.377 -0.126 30 20 DBED C#CCN1C[C@H]2CC[C@H]1CN2C(=O)C1CC2(C1)NC(=O)NC2=O 971911730 NFFIANPLEROLPJ-LZUBYRBGSA-N 316.361 -0.717 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCCC(=O)N3)C2)C1 972546592 QCYSLWGRBJPKMK-YOEHRIQHSA-N 319.405 -0.018 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)Cn3cncn3)C2)cn1 974344856 UCTSODOURPNPGV-OKILXGFUSA-N 324.344 -0.268 30 20 DBED C=C(Cl)CN(C)[C@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 980427346 LNAGBDXXAFXVKN-WDEREUQCSA-N 321.830 -0.037 30 20 DBED C=CCCn1cc(C(=O)N[C@@H]2CCC[C@H](NCC(N)=O)C2)nn1 981377388 CLVMKLQONMRVJT-NWDGAFQWSA-N 320.397 -0.030 30 20 DBED C=C(C)CN[C@H]1CCN(C(=O)CN2CCN(C)C(=O)C2)[C@@H]1C 986443156 YSVZSZDXZRZUMX-KGLIPLIRSA-N 308.426 -0.085 30 20 DBED Cn1cnn(CC(=O)N2C[C@@H]3CCC[C@H](NCC#N)[C@H]3C2)c1=O 992742997 QRBXPQNOISYGNC-AVGNSLFASA-N 318.381 -0.678 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)Cc2ccc(C(N)=O)cc2)C1 994357978 SJUCRLOQOPCDQX-JTQLQIEISA-N 314.345 -0.185 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)c3ccc(O)nn3)C2)cn1 997089867 MCNOSTLMUNRETR-UHFFFAOYSA-N 323.312 -0.187 30 20 DBED C#CCN1CC[C@@H](n2cc(CNC(=O)[C@H]3CCC(=O)N3)nn2)C1 999962966 PIOXDIRICRVZRI-CHWSQXEVSA-N 316.365 -0.947 30 20 DBED C=CCN1CC[C@H](n2cc(CNC(=O)c3cnn(C)n3)nn2)C1 1000029418 NRRXDDNDVFZXBA-LBPRGKRZSA-N 316.369 -0.231 30 20 DBED CC#CCN1CCC(NC(=O)CN2CCCS2(=O)=O)CC1 1002962896 GNWVYEPZXGRMLL-UHFFFAOYSA-N 313.423 -0.374 30 20 DBED N#CCN1CCC(NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)CC1 1003806327 RLVJVZWOUNVBTE-UHFFFAOYSA-N 315.337 -0.825 30 20 DBED C=CCN1CCC[C@@H](NC(=O)CN2CCCS2(=O)=O)C1 1007465237 RMMXVZKRZRQUOL-GFCCVEGCSA-N 301.412 -0.212 30 20 DBED C[C@H](NC(=O)c1nc[nH]n1)[C@@H]1CN(C(=O)C#CC2CC2)CCO1 1009697005 PIZLOPPCGDLUMS-JQWIXIFHSA-N 317.349 -0.436 30 20 DBED O=C(C#CC1CC1)N1CCN(C(=O)[C@H]2CCS(=O)(=O)C2)CC1 1011110727 MLJBIWGYZKUUKC-ZDUSSCGKSA-N 324.402 -0.495 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2C[C@@H](C)N(C(=O)C(N)=O)C2)cn1 1013967647 SBDDPXUKCVGKSI-BXKDBHETSA-N 300.318 -0.733 30 20 DBED C=CCN1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CN(C)C1=O 1018247502 PSJAPJIRJLBKMB-TXEJJXNPSA-N 306.366 -0.258 30 20 DBED CCn1nc(C)c(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2O)n1 1024436571 HVWDDLUXRGDQFP-FBIMIBRVSA-N 320.353 -0.932 30 20 DBED C=C[C@](C)(CC)C(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2cncn2)C1 1025730354 ZBZWQIMJPVYSLM-LALPHHSUSA-N 321.381 -0.432 30 20 DBED C#CCN1CCC[C@@H]1CNC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 1027879566 UVFKQMOJUJYPFY-CHWSQXEVSA-N 315.377 -0.024 30 20 DBED C#CCN1CC[C@@H](CNC(=O)[C@H]2CC(=O)N(CCOC)C2)C1 1028577894 HPFDXIIARSPMFY-KBPBESRZSA-N 307.394 -0.447 30 20 DBED C=C(Cl)CN1C[C@@H]2C[C@H]1CN2C(=O)CN1CCNC(=O)C1 1032560212 RUZRYQKPPYOMAI-RYUDHWBXSA-N 312.801 -0.544 30 20 DBED C#CCN1CCO[C@H](CNC(=O)c2ccc(C(=O)NC)nc2)C1 1035584712 ZGZHJSABHFGKRV-CYBMUJFWSA-N 316.361 -0.495 30 20 DBED C=C(C)CN1CCO[C@@H](CNC(=O)[C@@H]2CCS(=O)(=O)N2)C1 1035614163 NSOYTCZVHXTRPA-RYUDHWBXSA-N 317.411 -0.929 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H]3[C@H](CCN3CC(N)=O)C2)nn1 1036837846 OZTZPMFFYYWRTK-YPMHNXCESA-N 318.381 -0.514 30 20 DBED C#CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)Cc1c(C)nc(O)nc1O 1037634621 HKHFFGCCAQNOMY-CDMKHQONSA-N 302.334 -0.439 30 20 DBED C#CCN1CC[C@H]1CNC(=O)c1c2n(c(=O)n1C)CCCC2 1038713122 UMRXZGQJLZUWOU-LBPRGKRZSA-N 302.378 -0.040 30 20 DBED C=C(Cl)CN1CC[C@H]1CNC(=O)[C@H]1CCN(C)S1(=O)=O 1038801913 QJOLTZOPCRHUDG-WDEREUQCSA-N 321.830 -0.037 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)CC2(O)CCC2)C1 1039670517 UEWXSXFELFJJMI-NHYWBVRUSA-N 309.366 -0.469 30 20 DBED CCC(=O)NCC(=O)N1CC[C@@](O)(CNC(=O)C#CC2CC2)C1 1039677425 HYCJSHGDZJLTBN-MRXNPFEDSA-N 321.377 -0.994 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)CN2CCCC2)C1 1039764090 RCDUMWKTRNEVSY-SWLSCSKDSA-N 308.382 -0.679 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@]1(O)CCN(C(=O)C2CC2)C1 1040184925 OJZPEZYFTWEUGW-YOEHRIQHSA-N 319.405 -0.426 30 20 DBED C#CCCCC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2CCC(=O)N2)C1 1040434999 FKGZZGAHJNBIHJ-LRDDRELGSA-N 321.377 -0.852 30 20 DBED C[C@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)c2ccc(O)nc2)C1 1040761520 UCCLHVCLTJYVDJ-BMIGLBTASA-N 318.333 -0.360 30 20 DBED N#Cc1nccc(N2C[C@@H](O)[C@H](NC(=O)c3nccs3)C2)n1 1041143806 UGHRGBGGHQDNHP-RKDXNWHRSA-N 316.346 -0.216 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)CCOC(C)C)C1 1042039652 GNVAJEHGMRIXPS-UHFFFAOYSA-N 314.382 -0.306 30 20 DBED C=CCN1CC[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)C[C@@H]21 1042346948 YOSJRNPCFQIFJL-NEPJUHHUSA-N 306.366 -0.353 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)[C@H]2CCCCO2)C1 1042569486 WRFNHRHHSBIAHI-CYBMUJFWSA-N 308.378 -0.096 30 20 DBED C#CCCN1CC(N(C)C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 1042719291 MSBPXFAWLOZHPK-GFCCVEGCSA-N 315.377 -0.072 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(O)CN(C(=O)c2ccc[nH]2)C1 1042808709 BZEJKAAHSAGQAO-CQSZACIVSA-N 307.350 -0.355 30 20 DBED CO[C@H]1CC[C@H](C(=O)N2CC(O)(CNC(=O)C#CC3CC3)C2)C1 1042963337 MCNZNQQXTXVCNR-KBPBESRZSA-N 320.389 -0.096 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2ccsn2)C1 1043040996 DMVQJZKARAUPRR-JTQLQIEISA-N 323.374 -0.516 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)c2cnccn2)C1 1044479388 YLIYTJHVVPLCIV-UHFFFAOYSA-N 304.350 -0.008 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)[C@@H]2CCN(C)[C@@H]2C)C1 1045560526 YEDCJGDJIZMKOG-QJPTWQEYSA-N 308.382 -0.824 30 20 DBED COCCC[C@@H](C)C(=O)NCC1(O)CN(C(=O)[C@@H](C)C#N)C1 1046585545 UUTDEKULNAEVSS-NEPJUHHUSA-N 311.382 -0.102 30 20 DBED CN1CCO[C@H](C(=O)NC[C@@H]2CN(CC#N)CCC2(F)F)C1 1046926324 OXKINGWRGATDSA-NEPJUHHUSA-N 316.352 -0.086 30 20 DBED C=CCOCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC(=O)NC)C2 1047398988 HVLFEXMOESDKSR-XQQFMLRXSA-N 323.393 -0.179 30 20 DBED Cc1ncc2n1CC[C@H](C(=O)N(C)[C@H]1CN(CC#N)C[C@@H]1O)C2 1047527263 AEJGEGGTUDZPON-QEJZJMRPSA-N 317.393 -0.219 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cn2cccn2)C1 1048230809 AVXGKHHYJUOGJE-KBPBESRZSA-N 318.377 -0.283 30 20 DBED CCNC(=O)CCC(=O)N(C)[C@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1O 1048547954 SDVZAHXTACEJLQ-WOPDTQHZSA-N 324.381 -0.908 30 20 DBED C#CCCCC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CCOC2)C[C@@H]1O 1048750630 ZEGHTMYWGBBQLL-RDBSUJKOSA-N 308.378 -0.144 30 20 DBED CC(C)C#CC(=O)N(C)[C@H]1CN(C(=O)Cc2ncc[nH]2)C[C@@H]1O 1048811462 XRLPTYHBRSYIJY-STQMWFEESA-N 318.377 -0.358 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2CN([C@@H]3CCNC3=O)C[C@@H]2C1 1049068407 RWOZMJYQPAUSCY-KHMAMNHCSA-N 319.405 -0.144 30 20 DBED C=CCCC(=O)N[C@H](C)[C@H]1CCN(C(=O)Cn2ncnn2)C1 1050807643 HKDRUEJRAQCOOK-NEPJUHHUSA-N 306.370 -0.008 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)c1cn([C@@H]2CCOC2)nn1 1051201251 CGHIZURMJBUTHJ-CHWSQXEVSA-N 319.365 -0.697 30 20 DBED C=CCN1CCN([C@@H]2CCN(C(=O)[C@@H]3CN(C)C(=O)N3)C2)CC1 1052060816 NBQVQXMYDMAORU-KGLIPLIRSA-N 321.425 -0.586 30 20 DBED N#CCN1CCN([C@H]2CCN(C(=O)Cc3cnoc3)C2)CC1 1052067299 INHUUDNICDSEJY-AWEZNQCLSA-N 303.366 -0.041 30 20 DBED C#CCN1CCC[C@H](NC(=O)[C@@H]2CN(C(C)=O)CCO2)CC1 1052905366 KHRIMOSZSZJSOO-GJZGRUSLSA-N 307.394 -0.162 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)[C@H]1CCC(=O)NC1)CCO2 1053323353 JTURTSJNNSHERP-ZDUSSCGKSA-N 305.378 -0.551 30 20 DBED C#CCCN1CC2(CC[C@@H](CNC(=O)[C@H]3CC(=O)N(C)C3)O2)C1 1053605930 DVOIVUAULVMUDD-KBPBESRZSA-N 319.405 -0.162 30 20 DBED Cc1nnc(O)c(C(=O)N[C@H]2COC3(C2)CN(CC#N)C3)c1C 1053888270 DZEVXYPHBSSSJK-LLVKDONJSA-N 317.349 -0.104 30 20 DBED CCn1cc(CC(=O)N[C@@H]2COC3(C2)CN(CC#N)C3)cn1 1053980546 QOEFVZWZPBRXSF-ZDUSSCGKSA-N 303.366 -0.071 30 20 DBED C[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1NCc1nnnn1C 1054547144 KGTXIJRXGFXYRX-CABZTGNLSA-N 314.353 -0.340 30 20 DBED C=CCOCC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@H]2C1 1055248151 DTLQOXHQVHKBQU-YVECIDJPSA-N 323.349 -0.229 30 20 DBED C=CCCC(=O)NCCN1CCC(NC(=O)CC(N)=O)CC1 1055540925 WCLDEYSCQSGXGC-UHFFFAOYSA-N 310.398 -0.475 30 20 DBED C#CCOCCC(=O)N1CCC[C@@](CO)(NC(=O)C2CC2)C1 1055687603 DNOZWBWCSAJNAC-MRXNPFEDSA-N 308.378 -0.094 30 20 DBED COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCN(c2ccnc(C#N)n2)CC1 1055734601 DCOLFOXDPDJWIG-WDEREUQCSA-N 315.333 -0.194 30 20 DBED C[C@H](C#N)C(=O)N[C@]1(CO)CCCN(C(=O)Cc2cc[nH]n2)C1 1056092565 BLRIBEJNBABZSU-IAQYHMDHSA-N 319.365 -0.418 30 20 DBED C=CCO[C@H](C)C(=O)NCCN(CCO)C(=O)COC(C)C 1057137985 ZXWDXSOUXSVOKL-CYBMUJFWSA-N 316.398 -0.060 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)[C@@H](C)OCCOC 1057171163 QLAIOHINAALYNO-CYBMUJFWSA-N 316.398 -0.059 30 20 DBED COCCOCC(=O)N(CCO)CCNC(=O)C#CC(C)C 1057219661 OAKBQGZVJYNZSJ-UHFFFAOYSA-N 314.382 -0.754 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)Cc1ccnn1C 1057439526 QIHAOLCNAGKEBJ-UHFFFAOYSA-N 320.393 -0.297 30 20 DBED O=C(NCCN(CCO)C(=O)C#CC1CC1)c1csnn1 1057537550 FNQPTUQJDQBMMR-UHFFFAOYSA-N 308.363 -0.498 30 20 DBED C=CCCOCC(=O)N(CCO)CCNC(=O)c1ccncn1 1057920135 JBHXXMUBYJEGSC-UHFFFAOYSA-N 322.365 -0.380 30 20 DBED N#Cc1nccc(N2CCC[C@@H](NC(=O)[C@H]3COCCO3)C2)n1 1058120129 IDMPFNLRSJUNAC-VXGBXAGGSA-N 317.349 -0.151 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)c1cnc(O)n1C 1058296768 QOZJCQXVANXFDG-UHFFFAOYSA-N 310.354 -0.357 30 20 DBED N#Cc1ccc(N2CC[C@H](NC(=O)C[C@H]3COC(=O)C3)C2)nn1 1058339037 ICWUAWXNGHUJBN-PWSUYJOCSA-N 315.333 -0.004 30 20 DBED C[C@]1(C(=O)N[C@@H]2CCN(c3cncc(C#N)n3)C2)CNC(=O)C1 1058494322 PDJFDOOJGYQDAO-MEBBXXQBSA-N 314.349 -0.431 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)CN1CCC(C)(C)C1 1058850022 AJUQTBIYCBHKPM-ZDUSSCGKSA-N 324.425 -0.185 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(CCO)CCNC(=O)c1ncc[nH]1 1058874016 LQKZATBHWFQMHN-NEPJUHHUSA-N 322.365 -0.449 30 20 DBED O=C(C#CC1CC1)NCCN(CCO)C(=O)c1ccnnc1 1058937419 YRJQSMRFDJQCEY-UHFFFAOYSA-N 302.334 -0.559 30 20 DBED N#Cc1nccnc1N[C@H]1CCN(C(=O)[C@@H]2CCC(=O)NC2)C1 1059114176 GTRPMTFJRBUFNS-MNOVXSKESA-N 314.349 -0.113 30 20 DBED CC(C)C#CC(=O)N1CC[C@H](CCNC(=O)c2nnn(C)n2)C1 1059614243 LRLZMDWKPXIVAK-LBPRGKRZSA-N 318.381 -0.162 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](CCNC(=O)c2cn(C)nn2)C1 1060290129 XEHQBTRPNXVGGM-GHMZBOCLSA-N 304.354 -0.057 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H]1CCN(C(=O)Cn2cnnn2)C1 1060801776 AFMXUQHPMGQYCL-LLVKDONJSA-N 312.337 -0.678 30 20 DBED CC(C)C#CC(=O)N1CCOC[C@H]1CNC(=O)[C@@H]1COC(=O)N1 1061546100 LHTRWFYYVHDKJV-NEPJUHHUSA-N 323.349 -0.902 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H]1COCCN1C(=O)COCC=C 1061585133 ROPZCMDITSJGDP-KGLIPLIRSA-N 324.377 -0.429 30 20 DBED C=CCCOCC(=O)NC[C@@H]1COCCN1C(=O)c1cnn[nH]1 1061669209 ZJUFNTRISJBRDD-LLVKDONJSA-N 323.353 -0.645 30 20 DBED CCCC(=O)NCC(=O)N1CCOC[C@@H]1CNC(=O)[C@H](C)C#N 1061846644 PNCPGWFWGLQTHB-NEPJUHHUSA-N 324.381 -0.594 30 20 DBED Cc1cc(C#N)nc(NC[C@H]2CCCN2C(=O)CC(N)=O)n1 1063456686 POMVEHIAIYNDTH-LLVKDONJSA-N 302.338 -0.065 30 20 DBED C=CCOCC(=O)NC1(CNC(=O)[C@H]2CCC(=O)NC2)CCC1 1063575018 HOAAKXCDXPCEDH-LBPRGKRZSA-N 323.393 -0.130 30 20 DBED CC[C@H]1CN(C(=O)C(N)=O)CC[C@H]1Nc1cnc(C#N)cn1 1064413581 XNEGFUQAISCZLG-GXSJLCMTSA-N 302.338 -0.127 30 20 DBED CCOCC(=O)N1CCO[C@H](CNC(=O)CSCC#N)C1 1064802555 KVTLLPSGSXRLSK-LLVKDONJSA-N 315.395 -0.377 30 20 DBED C=CCCOCC(=O)NC[C@@H]1CN(C(=O)COCC)CCO1 1064810816 AGPXLSJEDQKWRC-CYBMUJFWSA-N 314.382 -0.041 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2cn(C)cn2)CCO1 1065046805 SSRPDJIMYUFUMF-LBPRGKRZSA-N 322.365 -0.420 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCO[C@H](CNC(=O)CCOC)C1 1065096990 MTHZBBPYJTZRJQ-IUODEOHRSA-N 314.382 -0.306 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)c2cn(C)nn2)CCO1 1065113254 DRAMLCKLQKSTTI-GFCCVEGCSA-N 319.365 -0.568 30 20 DBED C=CCOCC(=O)N1CCC[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)CC1 1066545454 IVFXMBWHYUMGHQ-XQQFMLRXSA-N 323.393 -0.192 30 20 DBED C[C@H]1CN(C(=O)Cc2nc[nH]n2)C[C@@H]1Nc1nccnc1C#N 1067144490 KBFZNODDULEQIW-ONGXEEELSA-N 312.337 -0.032 30 20 DBED CCc1nc(C#N)cc(N2CC[C@@H](NC(=O)C(N)=O)[C@H](C)C2)n1 1067429887 OWGGCNSHSVLCBQ-MWLCHTKSSA-N 316.365 -0.273 30 20 DBED N#Cc1nccnc1N1C[C@@H](O)[C@H](CNC(=O)c2cc[nH]n2)C1 1067652154 WBQHXEHZYJMPCW-BXKDBHETSA-N 313.321 -0.702 30 20 DBED N#Cc1nccnc1N1C[C@@H](O)[C@@H](CNC(=O)c2cocn2)C1 1067652762 FRNFKKQQGIEYDK-JOYOIKCWSA-N 314.305 -0.437 30 20 DBED Cn1nncc1C(=O)NCC1[C@@H]2CN(c3cnc(C#N)cn3)C[C@@H]12 1068172137 KVEYWKMQHRAOFK-RYUDHWBXSA-N 324.348 -0.411 30 20 DBED Cn1nncc1C(=O)NCC1[C@H]2CN(c3nccnc3C#N)C[C@H]12 1068172506 RFKQRPUULPYFSB-GHMZBOCLSA-N 324.348 -0.411 30 20 DBED COCC(=O)N1CCO[C@H]([C@@H](C)N=c2cc[nH]c(C#N)n2)C1 1068218002 HUNLEEYUQMATQF-MNOVXSKESA-N 305.338 -0.556 30 20 DBED C=C[C@H](CC)CC(=O)N1CC2(CN(C(=O)CC(N)=O)CCO2)C1 1068363513 NXGTYCBIIVHIAA-GFCCVEGCSA-N 323.393 -0.096 30 20 DBED C=CCCC(=O)N1CC2(C[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)CO2)C1 1069041518 XWVOQPGYMNBEFJ-TUAOUCFPSA-N 321.377 -0.440 30 20 DBED C#CCCCC(=O)N[C@@H]1CCCN(C(=O)Cn2cnnn2)C1 1070410973 YVKUPFDXBUKFQG-GFCCVEGCSA-N 304.354 -0.416 30 20 DBED C=CCOCC(=O)N[C@@H]1CCCN(C(=O)CN(C)C(C)=O)C1 1070454980 ZAPJMQKVICDPAS-CYBMUJFWSA-N 311.382 -0.226 30 20 DBED C=CCN[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1c1cn(C)cn1 1070491521 PFRKFVDQAHYXMX-WCQYABFASA-N 315.381 -0.068 30 20 DBED N#CCN1C[C@H]2C[C@@H]3CN(C(=O)CCn4cncn4)C[C@@]3(C1)O2 1070761175 MPMBBDOGXOAHTD-UMVBOHGHSA-N 316.365 -0.507 30 20 DBED C=CCN1C[C@H]2C[C@H]3CN(C(=O)[C@H]4COC(=O)N4)C[C@@]3(C1)O2 1070793445 ILJMCSSSYKNECC-FUTJPDQTSA-N 307.350 -0.418 30 20 DBED C=CCN1C[C@H]2C[C@@H]3CN(C(=O)c4cn(C)nn4)C[C@@]3(C1)O2 1070795204 MQHVKWPVLQZPIV-LALPHHSUSA-N 303.366 -0.084 30 20 DBED C[C@H]1CN(C)C[C@@H]1C(=O)N1CCC(=O)NCCN(CC#N)CC1 1071000034 LBAMMHZFMQKOSQ-KBPBESRZSA-N 321.425 -0.642 30 20 DBED C=C(C)CN1CC[C@]2(C1)CN(C(=O)Cn1ncnn1)C[C@H](C)O2 1071169573 TZWSEMQWZIFBRD-ZFWWWQNUSA-N 320.397 -0.059 30 20 DBED C=CCCOCC(=O)N1C[C@@H](C)[C@@H](NC(=O)c2ncn(C)n2)C1 1072333341 MRWUBUYVBMHDCV-NEPJUHHUSA-N 321.381 -0.016 30 20 DBED CC#CCN1CCC2(C1)CN(C(=O)[C@@H]1CCS(=O)(=O)C1)C2 1072903222 VACQLZKOXGJUEF-CYBMUJFWSA-N 310.419 -0.021 30 20 DBED C[C@@H](C#N)C(=O)NC1(C)CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 1073224109 PLIAXKQPCCLYQE-UWVGGRQHSA-N 307.354 -0.675 30 20 DBED N#CCN1CCCO[C@@H](CNC(=O)[C@@H]2CCc3nncn3C2)C1 1073901745 DEFJGBHWCHDPPS-OLZOCXBDSA-N 318.381 -0.429 30 20 DBED N#CCN1CCO[C@H]2CCN(C(=O)c3cc4n(n3)CCO4)C[C@H]21 1074266881 SQURPBNDXHOYHF-OLZOCXBDSA-N 317.349 -0.286 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)c2cc(C)c(C(N)=O)cn2)C1 1077704335 OKTUYQIYDYHWGS-ZIAGYGMSSA-N 316.361 -0.713 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@H](C)N2CCCCC2=O)C1 1078224798 ZWPNFGFIPTVALQ-BFHYXJOUSA-N 307.394 -0.428 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)c2cc(C(N)=O)cs2)C1 1078236562 NSDAVYMSXFFQMZ-GHMZBOCLSA-N 307.375 -0.355 30 20 DBED C#CCN[C@@H]1C[C@@H](NC(=O)CN2CCNC(=O)C2)C12CCC2 1078696269 UORULPAHLGHTEZ-CHWSQXEVSA-N 304.394 -0.932 30 20 DBED C=CCOCC(=O)N(CC)C1CN(C(=O)CCn2ccnn2)C1 1079490642 YBDJZPCPVFJZRX-UHFFFAOYSA-N 321.381 -0.070 30 20 DBED CCN(C(=O)C[C@@H]1CC(=O)NC1=O)C1CN(C(=O)[C@@H](C)C#N)C1 1080071640 DADFKEXNBOXOAK-UWVGGRQHSA-N 320.349 -0.742 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CO)(NC(=O)Cc2ncc[nH]2)CC1 1080967668 FJLITRJQOFXVBQ-LLVKDONJSA-N 319.365 -0.418 30 20 DBED N#Cc1cc(C(=O)N2C[C@H](CNC(=O)C(F)F)[C@@H](O)C2)c[nH]1 1081149323 HJHNPOLZMVROOK-WPRPVWTQSA-N 312.276 -0.299 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)Cn2cccn2)C1 1081253800 KRXNJAPJMFYYCE-QWHCGFSZSA-N 322.365 -0.979 30 20 DBED N#CCSCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cn[nH]c2)C1 1081295383 PNILUZOFVOLJDD-WDEREUQCSA-N 323.378 -0.784 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)c2ccn(C)n2)C[C@@H]1O 1081445168 RSVYYMAJYQZFBG-JSGCOSHPSA-N 318.377 -0.227 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(C(=O)Cc2cc[nH]n2)C[C@@H]1O 1081472479 YQAJUOBCGLDTBM-OCCSQVGLSA-N 316.361 -0.699 30 20 DBED Cc1nc[nH]c1C(=O)NC[C@H]1CN(C(=O)C#CC(C)C)C[C@@H]1O 1081591671 BNBFODXNORENKP-STQMWFEESA-N 318.377 -0.073 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2ccc(-n3ccnc3)nc2)C1 1083685313 OMYTUMHCKNNBCJ-KGLIPLIRSA-N 311.345 -0.325 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)c2ccc(C(N)=O)cn2)C1 1084112886 OJEURWHVKOOGMY-OLZOCXBDSA-N 304.350 -0.469 30 20 DBED C#CCN[C@H]1C[C@H](CNC(=O)[C@@H]2CN3CC4CC3(CO2)C4)C1 1086432426 VHLNUKQIBSTLBN-MLURZJSDSA-N 303.406 -0.033 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CC[C@@H](C)N(c2cnc(C#N)cn2)C1 1089128756 GJDSXBCXMYCJDF-GHMZBOCLSA-N 316.365 -0.042 30 20 DBED Cc1ccc(C#N)c(N2CCCO[C@@H](CNC(=O)C(N)=O)C2)n1 1089555642 VQMCQZHBVJXCCT-LBPRGKRZSA-N 317.349 -0.542 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CCN(Cc3cnon3)C[C@H]2O)c1 1090181160 WPKKKROWPWSGAK-DGCLKSJQSA-N 316.321 -0.365 30 20 DBED C#CCCN1CC[C@@H](NC(=O)Cn2cccc(C)c2=O)[C@@H](O)C1 1090262933 APXKNFUDVCBPHR-CABCVRRESA-N 317.389 -0.269 30 20 DBED C=CCCN1CC[C@H](NC(=O)C2CS(=O)(=O)C2)[C@H](O)C1 1090294185 YGLADPYTSUZQQN-NWDGAFQWSA-N 302.396 -0.842 30 20 DBED C=CCN1CC[C@H](NC(=O)c2ccc3nnnn3c2)[C@@H](O)C1 1090429640 FPIRUDIFVKZCHI-RYUDHWBXSA-N 302.338 -0.525 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(c2nc(C)cc(C)n2)C[C@H]1O 1090488394 IULCDZRRNUKFJK-BFHYXJOUSA-N 318.377 -0.203 30 20 DBED C=CCN1CC[C@@H](NC(=O)C2CCS(=O)(=O)CC2)[C@@H](O)C1 1090610549 SIHDLUQEVZMTQL-OLZOCXBDSA-N 316.423 -0.451 30 20 DBED C[C@H](CC(N)=O)C(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@@H]1O 1091175205 WPTTZBWYWYKWCC-JLLWLGSASA-N 317.349 -0.870 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)[C@@H]3COC(=O)N3)c3nccn32)C1 1092365283 GNWMPWDMJXCPFD-QWRGUYRKSA-N 315.333 -0.803 30 20 DBED N#Cc1ccc(N2C[C@@H]3C(NC(=O)CCn4cnnn4)[C@H]3C2)cn1 1093294006 RBSLPIZBQPHDIM-STQMWFEESA-N 324.348 -0.419 30 20 DBED C[C@H](C(N)=O)N1CC(OC2CCN(C(=O)C#CC3CC3)CC2)C1 1093534150 JBNGHJJMQHUPFN-GFCCVEGCSA-N 319.405 -0.035 30 20 DBED C[C@@H](CS(C)(=O)=O)C(=O)NCCNc1ccc(C#N)nn1 1093680659 CIRGWBMNLBFVDA-VIFPVBQESA-N 311.367 -0.443 30 20 DBED CC[C@@H]1CCCN1C(=O)C(=O)NCCN=c1cc[nH]c(C#N)n1 1093847623 BMAYQFNXPSXOQZ-LLVKDONJSA-N 316.365 -0.301 30 20 DBED N#Cc1ccc(NCCNC(=O)Cn2ncnn2)c([N+](=O)[O-])c1 1093889445 BXTOHEOTOJQVBB-UHFFFAOYSA-N 316.281 -0.319 30 20 DBED C[C@@H]1C[C@H](C(=O)NCCNc2cncc(C#N)n2)CC(=O)N1 1093983379 YFXGFVOFRDIHRY-ZJUUUORDSA-N 302.338 -0.209 30 20 DBED CC#CCN1CC(n2cc(CNC(=O)c3cnns3)nn2)C1 1094276879 VJVQGHOCHMMEOP-UHFFFAOYSA-N 317.378 -0.060 30 20 DBED CCc1nc(C#N)cc(NCCCNC(=O)[C@H]2COC(=O)N2)n1 1094387974 KWZPKSRSNTUTIU-SNVBAGLBSA-N 318.337 -0.063 30 20 DBED Cc1ccc(C#N)c(N(C)[C@@H]2CCN(C(=O)CNC(N)=O)C2)n1 1095091819 VYHBFRNFQJGBRA-GFCCVEGCSA-N 316.365 -0.033 30 20 DBED CCC(=O)NCC(=O)N1CC[C@@H](N(C)c2ccnc(C#N)n2)C1 1095100530 WNPLQZUMXXIJJZ-LLVKDONJSA-N 316.365 -0.088 30 20 DBED CN(CCCNC(=O)c1cnn(C)c1N)c1cncc(C#N)n1 1095540127 AKFZXKABBDVSOZ-UHFFFAOYSA-N 314.353 -0.080 30 20 DBED CN(CCCNC(=O)C(C)(C)C(N)=O)c1cncc(C#N)n1 1095662268 OYDXTHRRPRIPJQ-UHFFFAOYSA-N 304.354 -0.198 30 20 DBED CN1C[C@H](C(=O)NCCCN(C)c2ccnc(C#N)n2)NC1=O 1095696618 HONLBSYPJXZKHC-SNVBAGLBSA-N 317.353 -0.686 30 20 DBED CCN(CCCNC(=O)Cn1ncnn1)c1ccc(C#N)cn1 1095925288 OCSULCBSZDUKBS-UHFFFAOYSA-N 314.353 -0.027 30 20 DBED C[C@@H](CC(N)=O)C(=O)N[C@@H]1CCCN(c2ccnc(C#N)n2)C1 1096218250 FSXDEZNOICDAJB-WDEREUQCSA-N 316.365 -0.055 30 20 DBED CNC(=O)NCC(=O)NC[C@H](Nc1ccc(C#N)nn1)C1CC1 1096837771 UMNJFIFUMPUSDX-NSHDSACASA-N 317.353 -0.416 30 20 DBED CNC(=O)NCCC(=O)N[C@H]1C[C@H](Nc2ccc(C#N)nn2)C1 1097017878 FIWAHSNADBMGCT-XYPYZODXSA-N 317.353 -0.274 30 20 DBED C[C@@H](CNC(=O)C[C@@H]1CC(=O)NC1=O)Nc1cncc(C#N)n1 1097945961 ZRYUGQRZPBYWII-DTWKUNHWSA-N 316.321 -0.682 30 20 DBED CN1C(=O)CC[C@@H]1C(=O)N1CCC(N(CC#N)CCO)CC1 1098459927 PNAIKICXXBGJGS-CYBMUJFWSA-N 308.382 -0.584 30 20 DBED C#CCN(CCO)C1CCN(C(=O)[C@@]2(C)CCNC2=O)CC1 1098477982 QTGJTOGRKQDDAR-INIZCTEOSA-N 307.394 -0.569 30 20 DBED C#CCNCc1cn([C@@H]2CCN(C(=O)CCCC(N)=O)C2)nn1 1098789940 KZLXFGUJEHMKKW-CYBMUJFWSA-N 318.381 -0.570 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(Cc2nnc(CC)o2)C[C@@H]1O 1099740398 CNGZYXVYMWCBFS-NEPJUHHUSA-N 324.381 -0.114 30 20 DBED C#CCOCCC(=O)N[C@H]1CCN(CCn2cccn2)C[C@@H]1O 1099829865 JLPAZHDBFBGBAL-GJZGRUSLSA-N 320.393 -0.526 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCN(C)c1ncnc2c1nnn2C 1100042513 CGQGZBXCPODBRV-CQSZACIVSA-N 319.369 -0.362 30 20 DBED C=CCCCN1CC[C@H](NC(=O)CN2C(=O)CNC2=O)[C@@H](O)C1 1100101377 LMLRFMQGYWGKBB-RYUDHWBXSA-N 324.381 -0.944 30 20 DBED COCC#CCN1CC[C@H](NC(=O)Cc2ccc[nH]2)[C@H](O)C1 1100115032 XZXYQLBWQJGAOH-LSDHHAIUSA-N 305.378 -0.242 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)CCc2cn(C)nn2)[C@H](O)C1 1100146994 ASNCXNMMMCBBQK-UONOGXRCSA-N 307.398 -0.125 30 20 DBED N#Cc1cncc(N2CCC[C@H]2CNC(=O)C2(C(N)=O)CC2)n1 1100902092 CRPDCSKUVQWASY-NSHDSACASA-N 314.349 -0.301 30 20 DBED N#Cc1ccc(N2CC[C@H](CNC(=O)CCCC(N)=O)C2)nn1 1100988799 WKMUMUXPEYRLCZ-LLVKDONJSA-N 316.365 -0.054 30 20 DBED CC(=O)NCC(=O)N1CCC[C@@H]1CNc1nccnc1C#N 1103788396 XDEJZHIFAWOLFZ-LLVKDONJSA-N 302.338 -0.113 30 20 DBED CCS(=O)(=O)CC(=O)NC[C@H](C)CN=c1cc[nH]cc1C#N 1103986659 LMEPCLGAELFYER-LLVKDONJSA-N 324.406 -0.026 30 20 DBED C[C@H](CNc1ccc(C#N)nn1)N(C)C(=O)[C@@H]1CCNC1=O 1104765202 YCBZHKLHYJTRSF-MWLCHTKSSA-N 302.338 -0.257 30 20 DBED CC(C)[C@H](CNC(=O)Cn1cnnn1)N=c1cc[nH]cc1C#N 1105105989 IJWBAHJKXHQNMX-ZDUSSCGKSA-N 314.353 -0.385 30 20 DBED CC#CCNCc1cn(C2CN(C(=O)c3cnccn3)C2)nn1 1105142457 NXAYUBWIGSLTEQ-UHFFFAOYSA-N 311.349 -0.122 30 20 DBED CCO[C@H](C)C(=O)NC[C@H](O)CNc1nc(C)cc(C#N)n1 1105768799 AAYDKEJQVQVWBZ-PWSUYJOCSA-N 307.354 -0.029 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@H](O)CNc1cc(C)nc(CO)n1 1105805937 MPAAKCCDYZTKRG-IAQYHMDHSA-N 324.381 -0.507 30 20 DBED N#Cc1cncc(NC[C@@H](O)CNC(=O)c2ccnc(O)c2)n1 1105818381 KDSCJEWTRSQQSC-LLVKDONJSA-N 314.305 -0.348 30 20 DBED Cc1ccc(C#N)c(NC[C@H](O)CNC(=O)c2cnnn2C)n1 1105832484 DFYOJWWRBLXVMD-NSHDSACASA-N 315.337 -0.407 30 20 DBED N#Cc1cncc(NC[C@@H](O)CNC(=O)c2csnn2)n1 1106054842 SUVIPVUZRQGQLW-MRVPVSSYSA-N 305.323 -0.597 30 20 DBED CCc1ncoc1C(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1 1106096284 FNBBQXMWMRHTQM-VIFPVBQESA-N 316.321 -0.477 30 20 DBED C[C@H](CCN=c1cc[nH]cc1C#N)NC(=O)[C@@H]1CN(C)C(=O)N1 1106519921 URNOPCCMMIPNDI-MFKMUULPSA-N 316.365 -0.295 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)[C@]2(C)CCNC2=O)C[C@H]1C 1106661793 SIDQNRMGDDGDRL-CKEIUWERSA-N 321.421 -0.154 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)CCc1cnn[nH]1 1106959336 CDKOYPDEFRIIJN-UHFFFAOYSA-N 314.353 -0.219 30 20 DBED CCN(CCN=c1cc(C)[nH]cc1C#N)C(=O)CNC(=O)NC 1106983593 YCAMTIBWUPFMLE-UHFFFAOYSA-N 318.381 -0.127 30 20 DBED C[C@H](C(=O)NCc1cn(C2CN(CC#N)C2)nn1)n1cncn1 1107159736 VEFGOJVORMIFRB-SNVBAGLBSA-N 315.341 -0.873 30 20 DBED C[C@H](CC(=O)NC/C=C\CNc1cnc(C#N)cn1)NC(N)=O 1107351380 RIVQDVMXDKBPQC-MXQLGCADSA-N 317.353 -0.121 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](C)NC(=O)[C@@H]2COC(=O)N2)n1 1107704042 KXGINICKCSTJFJ-SCZZXKLOSA-N 304.310 -0.318 30 20 DBED C[C@H](CN=c1cc[nH]cc1C#N)NC(=O)[C@H]1CCCC(=O)N1 1107981126 DUOXJJIGGHWPSQ-ZWNOBZJWSA-N 301.350 -0.040 30 20 DBED C[C@H](CNc1ccc(C#N)cn1)NC(=O)[C@@H]1CN(C)C(=O)N1 1108041349 NSTROXXXCAGZLV-KOLCDFICSA-N 302.338 -0.107 30 20 DBED C[C@H](CNc1cncc(C#N)n1)NC(=O)[C@@H]1CCN(C)C1=O 1108072080 XAOQXUGWUYSYIH-KOLCDFICSA-N 302.338 -0.257 30 20 DBED C#CCCN1CCO[C@@](C)(CNC(=O)c2cn(C)c(O)n2)C1 1108184424 PVXFUENIFHJGMV-HNNXBMFYSA-N 306.366 -0.030 30 20 DBED Cn1cnnc1COCC(=O)NC[C@@]1(C)CN(CC#N)CCO1 1108313332 BGEQNSXNPANIHA-AWEZNQCLSA-N 322.369 -0.938 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)CCCn2cncn2)C1 1108325776 VGWKWQYCOJYQIR-OAHLLOKOSA-N 305.382 -0.101 30 20 DBED C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1nc(=O)n(C)[nH]1 1109072468 GLGBKNIHYFEXAZ-WOPDTQHZSA-N 321.381 -0.468 30 20 DBED Cc1cc(C#N)nc(N(C)C[C@@H](C)NC(=O)Cn2nccn2)n1 1109103975 PRJUIVINMKXHIU-LLVKDONJSA-N 314.353 -0.111 30 20 DBED CN(CCCN=c1cc[nH]c(C#N)n1)C(=O)C1=COCCO1 1109368589 BNYAQUYRACQMJX-UHFFFAOYSA-N 303.322 -0.081 30 20 DBED C[C@H](NC(N)=O)C(=O)N(C)CCCNc1ccc(C#N)nn1 1109422191 BIHJTTZXVVJKOQ-VIFPVBQESA-N 305.342 -0.335 30 20 DBED Cn1nncc1C(=O)N[C@@H](CN=c1cc[nH]c(C#N)n1)C1CC1 1109833141 VQHLMJQRPQCPJM-JTQLQIEISA-N 312.337 -0.481 30 20 DBED CC(C)OCC(=O)N(C)[C@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1111184579 TXBLAOVIFUJRNA-STQMWFEESA-N 319.365 -0.219 30 20 DBED N#Cc1cncc(NCCN(CCO)C(=O)C2=COCCO2)n1 1111424710 PYZSDQPGVJPZHO-UHFFFAOYSA-N 319.321 -0.531 30 20 DBED N#Cc1ccc(NCCN(CCO)C(=O)c2nc[nH]n2)nn1 1111496386 BMMIQWKQPXBSJL-UHFFFAOYSA-N 302.298 -0.987 30 20 DBED C#CCOCCC(=O)NC[C@@H]1COCCN1c1nccnc1F 1111699855 CYHWFVHYTCIYIQ-GFCCVEGCSA-N 322.340 -0.023 30 20 DBED CC(=O)NCC(=O)N1CCO[C@H](CNc2cncc(C#N)n2)C1 1111930187 YOHPCUVIGGNNTI-GFCCVEGCSA-N 318.337 -0.876 30 20 DBED N#CCNC[C@]12CCC[C@H]1CN(C(=O)CCn1cnnn1)C2 1112551366 WBMKPXYCJNYKPR-JSGCOSHPSA-N 303.370 -0.195 30 20 DBED CCOCC(=O)N1CCN(CC(=O)N(CC)CCC#N)CC1 1112602098 JLKBPBUNZIGDGS-UHFFFAOYSA-N 310.398 -0.071 30 20 DBED C#CCNC(=O)CC(=O)N1CCN(Cc2cncs2)CC1 1112777521 ARXMHCYPLBYCRX-UHFFFAOYSA-N 306.391 -0.073 30 20 DBED COCCOC[C@H](O)CN1CCN(C(=O)C#CC(C)C)CC1 1112832972 ARVLDVYXYAHWDJ-OAHLLOKOSA-N 312.410 -0.186 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCN(CCS(C)(=O)=O)CC1 1113710190 IJIALBYSQNZDBA-LBPRGKRZSA-N 304.412 -0.234 30 20 DBED C=CCCC(=O)N[C@H]1[C@@H]2CN([C@H](C)C(=O)NC(=O)NC)C[C@@H]21 1114026281 ZLANKXJNMJQELA-DCQANWLSSA-N 308.382 -0.157 30 20 DBED C#Cc1ccc(C(=O)NC2[C@@H]3CN(C[C@H](O)COC)C[C@@H]23)nc1 1115139918 NLLUTZUDGMNPST-BFHYXJOUSA-N 315.373 -0.270 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCC[C@@H](OCCOC)C1 1117391353 PQWVRNVLLPXHJC-CYBMUJFWSA-N 312.366 -0.594 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)NCc1cnn(CCOC)c1 1117555650 YJDLNDMIDYHEGH-UHFFFAOYSA-N 316.361 -0.369 30 20 DBED C=C(C)CN(C)C(=O)C(=O)NCCCN1CCCS1(=O)=O 1118951146 RJEDTEOQTNEPOC-UHFFFAOYSA-N 317.411 -0.437 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@H]1CC[C@@H](C(=O)OC)C1)[C@@H]1CCCO1 1119864468 FKLWACZAUMYYJC-VOAKCMCISA-N 322.361 -0.259 30 20 DBED C[C@H](CN(C)C(=O)Cn1nccn1)Nc1cnc(C#N)cn1 1120201032 WRGCHSICTRRESI-SNVBAGLBSA-N 300.326 -0.101 30 20 DBED CNC(=O)NCC(=O)N(C)C[C@H](C)N=c1cc(C)[nH]cc1C#N 1120817491 LILNMVPMTRWTGQ-NSHDSACASA-N 318.381 -0.129 30 20 DBED Cc1cc(CC(=O)NC[C@H](CO)Nc2nccnc2C#N)no1 1121228798 OLLYWYBSEWQESL-LLVKDONJSA-N 316.321 -0.224 30 20 DBED N#Cc1nc(=NC[C@H]2CC[C@@H](NC(=O)CNC(N)=O)C2)cc[nH]1 1123719450 OZSRCNZGWPKUPM-VHSXEESVSA-N 317.353 -0.865 30 20 DBED CN(C[C@H](O)CNc1ccc(C#N)nn1)C(=O)C1=COCCO1 1124072389 QPJHHPQVUOHMNT-LLVKDONJSA-N 319.321 -0.532 30 20 DBED CN(C[C@@H](O)CN(C)c1cncc(C#N)n1)C(=O)c1cc[nH]n1 1125017864 JEVWJIFYBQMBLQ-NSHDSACASA-N 315.337 -0.359 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)c1cn(C)cn1 1125676315 OYFOARWESCTLRK-JTQLQIEISA-N 322.369 -0.860 30 20 DBED C#CCN1CCn2ncc(CNC(=O)[C@H](C)n3cncn3)c2C1 1128311769 AKVIXGIXFUSGET-LBPRGKRZSA-N 313.365 -0.199 30 20 DBED C#CCCN[C@@H]1CN(C(=O)[C@@H]2COCCO2)C[C@@H]1n1ccnn1 1129594508 NBQGKHKTWKUQMK-RDBSUJKOSA-N 319.365 -0.942 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)[C@@]1(C)CCNC(=O)C1 1130208601 PFLIHZSQWSEARC-NHYWBVRUSA-N 310.398 -0.701 30 20 DBED N#CCN1CC[C@@H](c2n[nH]cc2CNC(=O)C2(C(N)=O)CC2)C1 1130418177 NVOOASKNSHANJN-SNVBAGLBSA-N 316.365 -0.396 30 20 DBED CCNC(=O)CC(=O)N1C[C@@H](NCC#N)[C@H](c2cncn2C)C1 1130975709 NDOGWTRPQPMNPL-VXGBXAGGSA-N 318.381 -0.646 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1ncc2ccccn12 1131301666 FBRSUUACWPFOSD-UHFFFAOYSA-N 300.322 -0.707 30 20 DBED CCC(=O)NCC(=O)N1C[C@H](C)O[C@@]2(CCN(CC#N)C2)C1 1131645965 NNPLXLOYSKFMOI-SWLSCSKDSA-N 308.382 -0.272 30 20 DBED Cc1nonc1C(=O)N[C@H]1CC[C@@H](C)N(CC(=O)NCC#N)C1 1132536809 IDEADVQXEJUBQU-KOLCDFICSA-N 320.353 -0.400 30 20 DBED C=CCN(Cc1cccs1)C(=O)CNCCNC(=O)C(N)=O 1133200109 FGMSCBUAIHEYQJ-UHFFFAOYSA-N 324.406 -0.546 30 20 DBED C[C@@H](C[C@@H](C)NCC(=O)NC(N)=O)NC(=O)c1cc(C#N)c[nH]1 1134014215 NZFDARXHOBBHDC-BDAKNGLRSA-N 320.353 -0.432 30 20 DBED C[C@@H](C[C@@H](C)NCC(=O)NCC#N)NC(=O)c1cnn(C)c1N 1134198333 WDHUAELLCVBCMI-ZJUUUORDSA-N 321.385 -0.871 30 20 DBED Cc1ncn(C)c1C(=O)N[C@H](C)C[C@H](C)NCC(=O)NCC#N 1134652029 DTQHEMILBOATTC-WDEREUQCSA-N 320.397 -0.145 30 20 DBED C#CCCN[C@@H](C)C[C@@H](C)NC(=O)c1cn(CC(N)=O)nn1 1146583303 JPUGMBFELPVPIZ-WDEREUQCSA-N 306.370 -0.727 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC2(CCN(Cc3ncnn3C)C2)C1 1147530423 MAUUPZXJKPIJGD-ZDUSSCGKSA-N 317.393 -0.112 30 20 DBED CN1CC[C@@H](N2CCCO[C@@H](CNC(=O)C#CC3CC3)C2)C1=O 1149700117 FGHOSYNHCXIHSA-LSDHHAIUSA-N 319.405 -0.162 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)CCCCC(=O)NC 1153065916 UZDRTTOYTPVILG-GFCCVEGCSA-N 312.414 -0.311 30 20 DBED C#CCN(CC)[C@H](C)CNC(=O)[C@H](C)NS(=O)(=O)CC 1153491204 IDWQMQVJKIOYGO-NEPJUHHUSA-N 303.428 -0.226 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)[C@H]2CN(C)CCO2)C1=O 1156146007 RSNAXHIRKNRBAD-ZIAGYGMSSA-N 324.425 -0.800 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)[C@@H](C)n1cncn1 1156805655 IPXZGWVBECICMW-VXGBXAGGSA-N 308.386 -0.374 30 20 DBED C#CCN(C)C[C@H]1CCCCN1C(=O)CN1C(=O)CN(C)C1=O 1158837160 HSAVCBNKLMYDEY-CYBMUJFWSA-N 320.393 -0.174 30 20 DBED C#CCNCC1(CCNC(=O)[C@H]2CN(C(C)=O)CCO2)CC1 1167941117 RGMVGABZTCNDLB-CQSZACIVSA-N 307.394 -0.257 30 20 DBED C#CCCNCC1(CCNC(=O)CN2C(=O)CN(C)C2=O)CC1 1168024117 XNOFPULZRXKSAC-UHFFFAOYSA-N 320.393 -0.220 30 20 DBED C#CCNC(=O)CNCC1(CCNC(=O)[C@H]2CCN(C)C2)CC1 1168137521 OOQCMEQKGJYYOW-AWEZNQCLSA-N 320.437 -0.436 30 20 DBED COCC#CCNCCCNC(=O)CN1C(=O)NC(C)(C)C1=O 1175286056 XJGXLQQLTFZDLD-UHFFFAOYSA-N 324.381 -0.938 30 20 DBED N#CCNC(=O)CN1CCO[C@H]2CCN(C(=O)C(F)F)C[C@H]21 1176869913 CIYCIGUYAWCWCD-ZJUUUORDSA-N 316.308 -0.807 30 20 DBED Cc1cc(CC(=O)N2CC[C@H](NCC(=O)NCC#N)[C@@H]2C)no1 1178366924 RWUMBZVKLVDVEN-AAEUAGOBSA-N 319.365 -0.256 30 20 DBED CC#CCNCCCCCCNC(=O)c1cn(CC(N)=O)nn1 1180369351 AITJNHDDFIYMAF-UHFFFAOYSA-N 320.397 -0.334 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2nccc(C)n2)C1 1182241262 XZFSPPXRWCHSKM-QWHCGFSZSA-N 315.377 -0.273 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)c2cnn(CC)n2)C1 1182311758 XRAQQXQAUMHKOK-LLVKDONJSA-N 306.370 -0.596 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2cnc(C)n2C)C1 1185167349 PNNBWOFYQCPMJI-WCQYABFASA-N 317.393 -0.329 30 20 DBED CC#CCN[C@H]1CCCO[C@H]1C1CCN(C(=O)C(N)=O)CC1 1186137275 UNXOLRBURVTANV-KBPBESRZSA-N 307.394 -0.129 30 20 DBED C#CCCN(C)[C@H]1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)C1 1190482711 HUWLRVPADQJOCI-ZDUSSCGKSA-N 318.377 -0.897 30 20 DBED COCC#CCN(C)[C@H]1CCN(C(=O)c2nnc(O)nc2O)C1 1191162931 QUORZGPHIJEGAQ-JTQLQIEISA-N 321.337 -0.921 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)C2CC=CC2)C1 1191952395 RUZJFVSPLRQXIF-MRVWCRGKSA-N 305.378 -0.748 30 20 DBED CN(CC1CC1)C(=O)CN1C[C@@H](O)[C@H](NC(=O)C#CC2CC2)C1 1192770475 KZBLPJHKXBBBHO-HUUCEWRRSA-N 319.405 -0.571 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C2(F)CCCC2)C1 1194299644 UCEDVPPGDYOBIV-VXGBXAGGSA-N 313.373 -0.268 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)C2(CN(C)C)CC2)C1 1195661329 LTCJNEJQJUPYMN-ZIAGYGMSSA-N 309.410 -0.861 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCCN([C@@H]2CCC(=O)NC2=O)CC1 1198343469 KTPDMNNTVJVSQV-QWHCGFSZSA-N 323.393 -0.083 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)CO[C@H]2CCOC2)CC1 1200541368 NEFSWIZCPIXHNB-AWEZNQCLSA-N 323.393 -0.878 30 20 DBED CN1C(=O)CCC[C@H]1C(=O)N1CCCO[C@H](CNCC#N)C1 1201965005 DNBYKBWQOYJICM-OLZOCXBDSA-N 308.382 -0.272 30 20 DBED N#CCNC1CCN(C(=O)CCNC(=O)c2cnccn2)CC1 1203763436 LXXKOOWKTJIGSL-UHFFFAOYSA-N 316.365 -0.299 30 20 DBED C=CCN(CC=C)C(=O)CN[C@@H]1CCCN(C(=O)CC(N)=O)C1 1207725032 HCANYDSYCTYPQT-CYBMUJFWSA-N 322.409 -0.357 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)[C@@H]2[C@H]3COC[C@H]32)[C@H](C)C1 1208357318 SBPLADVVYBSUPO-VVSAWPALSA-N 305.378 -0.935 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2csc(O)n2)[C@H](C)C1 1208366548 DRTILNIFRKKGGA-NXEZZACHSA-N 322.390 -0.352 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)c2cscn2)C[C@H]1C 1214307748 LREBFAKBHMFYKB-GHMZBOCLSA-N 306.391 -0.057 30 20 DBED CC(C)C#CC(=O)N1CCO[C@@H]2CN(Cc3nnn(C)n3)C[C@@H]21 1217844200 RCRLPCRLDVHZMM-QWHCGFSZSA-N 318.381 -0.719 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cc[nH]c1 1217958397 FAWFSSKQRDEWIF-UONOGXRCSA-N 318.377 -0.158 30 20 DBED Cc1cscc1C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@@H]1O 1219420215 NGLFBCFPZSBPTI-NEPJUHHUSA-N 322.390 -0.529 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)CS(=O)(=O)N(CC)CC)C1 1220453963 RUPFFVAELRHTIG-NEPJUHHUSA-N 319.427 -0.995 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)C(C)(C)NS(C)(=O)=O)C1 1220509642 IUPRMKYEJGYSOI-MNOVXSKESA-N 319.427 -0.948 30 20 DBED C#CCOCCC(=O)NCC1CCN([C@@H]2CCNC2=O)CC1 1223174365 CTHJXEQECNKIJF-CQSZACIVSA-N 307.394 -0.257 30 20 DBED CN(C[C@@H]1CCN1CC(=O)NCC#N)C(=O)C[C@H]1CCCO1 1230865651 GMRRMSYAQRAKOR-QWHCGFSZSA-N 308.382 -0.272 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@H]1CN(C)C(=O)CC1(O)CCC1 1234172013 UQQMKHZKSCCGIM-KGLIPLIRSA-N 321.421 -0.038 30 20 DBED C#CCN(CCn1cnc2c1c(=O)n(C)c(=O)n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c2ccc(C(N)=O)nc2)CC1 1321271168 DTFFBWMVLDUVRA-UHFFFAOYSA-N 314.345 -0.218 30 20 DBED CN(C(=O)COC(=O)CC[C@H]1NC(=O)NC1=O)C(C)(C)C#N 1321561374 CXRYUACDAQBMDO-MRVPVSSYSA-N 310.310 -0.722 30 20 DBED C#CCNC(=O)C1CCN(C(=O)NC[C@H](COC)OC)CC1 1321776306 ZAXHDMIXLIFJHS-CYBMUJFWSA-N 311.382 -0.181 30 20 DBED CCc1nncn1CCNC(=O)C(=O)NCC1(CC#N)CC1 1326871562 XUHCNKOUVZKQMP-UHFFFAOYSA-N 304.354 -0.233 30 20 DBED COC(=O)N1CCC(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)CC1 1326930372 GUQHQGZPNOFGGJ-NSHDSACASA-N 324.337 -0.916 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CCC[C@H]2C(C)(C)O)nn1 1329221182 CCVOLPGEKMBFGR-LBPRGKRZSA-N 321.381 -0.158 30 20 DBED CC(C)[C@@H](OC(=O)CCN/C(O)=C1/N=CC=CC1=O)C(N)=O 1329380312 USAYSFVGIZNIAZ-POKNLVKOSA-N 309.322 -0.044 30 20 DBED C[C@@]1(CO)CN(C(=O)NC2CCN(CC#N)CC2)C[C@]1(C)CO 1330219148 CDAXNKWMWXPOLS-IYBDPMFKSA-N 324.425 -0.003 30 20 DBED C=CCOCCNC(=O)C(=O)N[C@@H]1C[C@@H](OCC)[C@H]1OC 1330762290 VBYDKJBKAABEEJ-UTUOFQBUSA-N 300.355 -0.386 30 20 DBED CO[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1332832697 XSUCSOKOPCSCFM-JMSVASOKSA-N 309.366 -0.063 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N[C@H](C)C(=O)NCCC 1340422991 TWMJRMZSCHOHAC-SNVBAGLBSA-N 305.400 -0.199 30 20 DBED C=CCn1c(N2CCN(C(C)=O)CC2)nnc1[C@](C)(O)COC 1340472909 KXURWHJUTJASQS-OAHLLOKOSA-N 323.397 -0.014 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CC[C@](F)(C#N)C1 1343313441 XGRUPKIIWUZYSI-LBPRGKRZSA-N 317.342 -0.832 30 20 DBED COCC#CC(=O)N1C[C@@H]2CCCN(C(=O)C#CCOC)[C@@H]2C1 1350780505 UNXKVGRDRZFVHF-LSDHHAIUSA-N 318.373 -0.265 30 20 DBED CN(CC(C)(C)N)C(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1351856157 ZCFPNAKACROTFF-LBPRGKRZSA-N 307.398 -0.619 30 20 DBED CC[C@](COC)(NC(=O)[C@H](C)n1cnc(C#N)n1)C(=O)OC 1361851670 IPBDRJKGYKSGRA-TVQRCGJNSA-N 309.326 -0.205 30 20 DBED CCN(C(=O)CCn1cc(C#N)c(O)nc1=O)c1cnn(C)c1 1363648177 WMWGOWJESKBTJU-UHFFFAOYSA-N 316.321 -0.003 30 20 DBED N#CCc1ccc(C(=O)N2C[C@@H](C(N)=O)[C@@H](C(N)=O)C2)cc1 1364209834 ROCLYJSEOVESBI-TXEJJXNPSA-N 300.318 -0.589 30 20 DBED CC(C)c1nnnn1CC(=O)NC[C@H]1CCN1C(=O)[C@@H](C)C#N 1378381963 ZQZNLRSWPPECFG-WDEREUQCSA-N 319.369 -0.327 30 20 DBED C[C@H](C#N)C(=O)N(CCNC(=O)[C@H]1CCNC(=O)C1)C1CC1 1387474798 SZSBNCREDFQNES-MNOVXSKESA-N 306.366 -0.221 30 20 DBED N#Cc1cccc(CN2CC[C@@H]2CNC(=O)Cn2cnnn2)c1 1392810116 FYURWQSAHXXSTH-CQSZACIVSA-N 311.349 -0.065 30 20 DBED C[C@@H](C#N)C(=O)N(C)CC1CCN(C(=O)[C@H](C)NC(N)=O)CC1 1409008331 FLGHDUYHRVEZJP-QWRGUYRKSA-N 323.397 -0.100 30 20 DBED C[C@H](CNCc1ccc(C#N)s1)NC(=O)Cn1cnnn1 1420262470 XIXJPIKEZZCGQG-SECBINFHSA-N 305.367 -0.099 30 20 DBED COC(=O)[C@](C)(CO)NS(=O)(=O)Cc1cccc(C#N)c1 1434576302 FWUFEBMBTUQASP-ZDUSSCGKSA-N 312.347 -0.098 30 20 DBED C[C@@H](CN(C)C(=O)c1cc(C#N)c[nH]1)NC(=O)Cc1nc[nH]n1 1443756786 BKHQTPGWYWAHOL-VIFPVBQESA-N 315.337 -0.176 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](C)CNC(=O)c1cnc2c(c1)nnn2C 1448089571 XGXKGVKGSQGEAU-DTWKUNHWSA-N 315.337 -0.243 30 20 DBED C=C(Cl)CNC[C@@H](O)CN(C)C(=O)c1cnnc(O)c1 1486282939 MTNJKWJRLLCXBY-SNVBAGLBSA-N 300.746 -0.043 30 20 DBED CC(=O)N(C)CC(=O)NC[C@H](C)N(C)C(=O)c1cc(C#N)c[nH]1 1486807220 SUMOVLAVNAZMFD-JTQLQIEISA-N 319.365 -0.059 30 20 DBED COCCN(CCNC(=O)[C@@H](C)C#N)C(=O)Cc1nnc(C)o1 1488543116 MPACOFLAMQTADQ-JTQLQIEISA-N 323.353 -0.329 30 20 DBED CNC(=O)NCCC(=O)NC[C@H](C)NC(=O)c1c[nH]c(C#N)c1 1494702852 KQGYLRKLKKRQTQ-VIFPVBQESA-N 320.353 -0.560 30 20 DBED CC[C@@H](CNC(=O)CN(C)C(=O)COC)NC(=O)[C@@H](C)C#N 1531250778 WSAUQLLBGHAXCP-QWRGUYRKSA-N 312.370 -0.738 30 20 DBED C#CCCCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCCN2C)C1 1572832597 DDRLYHDBVQEEQF-QLFBSQMISA-N 321.421 -0.038 30 20 DBED C=CCNC(=O)CN1C[C@@H]2CCCN(C(=O)CNC(=O)O)[C@@H]2C1 1573368528 NILFOQKJFZAJRN-NWDGAFQWSA-N 324.381 -0.521 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 1573586317 NZFHCIHLHWCACF-IUCAKERBSA-N 313.325 -0.489 30 20 DBED COC(=O)C1(C#N)CCN(S(=O)(=O)CCCC(=O)O)CC1 1573916710 WGSIILKDYCSKAV-UHFFFAOYSA-N 318.351 -0.040 30 20 DBED Cc1cc(C#N)cnc1C(=O)N[C@@H]1CN(C(=O)O)C[C@H]1CO 1574128032 RYSHQZCGGHEYIQ-WDEREUQCSA-N 304.306 -0.038 30 20 DBED N#C[C@H]1CN(S(=O)(=O)N2C[C@H]3C[C@@H](N)C[C@H]2C3)CCO1 1580041513 BMHILYQYULDSPP-QCNOEVLYSA-N 300.384 -0.733 30 20 DBED N#C[C@]12CN(C(=O)NCCCCN)C[C@H]1CS(=O)(=O)C2 1580056592 FROSDCRDHFWIKG-CMPLNLGQSA-N 300.384 -0.695 30 20 DBED C#CC1(O)CCN(C(=O)c2cc(-c3nn[nH]n3)cn2C)CC1 1588333208 GHSULJXHJZTQAD-UHFFFAOYSA-N 300.322 -0.195 30 20 DBED C#CCN(C(=O)[C@@H](C)n1cnc(-c2nn[nH]n2)n1)C1CSC1 1588347763 WRQAYBKNZHJAAO-MRVPVSSYSA-N 318.366 -0.404 30 20 DBED C#C[C@H]1COCCN1C(=O)C(=O)N1CCC2(CC1)C[C@H]2C(=O)O 1588384068 UJZQWFWWPUZTQJ-RYUDHWBXSA-N 320.345 -0.440 30 20 DBED C#CC[C@@H](NC(=O)c1csc(S(N)(=O)=O)c1)C(=O)O 1588422616 ZYADDSODOHQFHQ-SSDOTTSWSA-N 302.333 -0.398 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@H]1C[C@H](N=c2cc[nH]c(C(=O)O)n2)C1 1588684378 PMZHBOAMIKUSOK-IQMDTDKHSA-N 320.349 -0.017 30 20 DBED CCCN(CC(=O)NC)c1cnc(C#N)c(-c2nn[nH]n2)n1 1590619897 CPYCLEOAHKFWTN-UHFFFAOYSA-N 301.314 -0.509 30 20 DBED C#CCN(C)C(=O)C(=O)Nc1ccc(-c2nn[nH]n2)cc1OC 1602716311 CNJWONRTJLASBT-UHFFFAOYSA-N 314.305 -0.095 30 20 DBED C[C@@H]1CN(c2nccnc2C#N)CCN1C[C@](C)(O)C(=O)O 1609875839 RINJFGMEDYLQIG-YGRLFVJLSA-N 305.338 -0.306 30 20 DBED C[C@H](C(=O)N(C)CCC#N)N1CCC(S(N)(=O)=O)CC1 1647121179 PSJPHDSFPDJNGC-SNVBAGLBSA-N 302.400 -0.500 30 20 DBED C#CCCNC[C@H]1CCCCN1C(=O)CCn1ncn(C)c1=O 1673114051 GATOZYCZCUCLOH-CQSZACIVSA-N 319.409 -0.034 30 20 DBED C#CCNC(=O)CN(CCCNC(=O)c1cn[nH]c1)C1CC1 1752243677 RCWWTERREHEUMM-UHFFFAOYSA-N 303.366 -0.257 30 20 DBED C[C@@H](C#N)C(=O)NCCCN(C1CC1)[C@H](C)C(=O)NC(N)=O 1752247209 NACLVZMFPNLVNP-VHSXEESVSA-N 309.370 -0.300 30 20 DBED C=C(C)CN1CCN(CCNC(=O)C[C@H]2CC(=O)NC2=O)CC1 1752381498 CRAAWOHNTVRWQR-ZDUSSCGKSA-N 322.409 -0.651 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H](C)CNC(=O)c1cc(C)nnc1C 1752875582 WAEAHOXFKCRNKN-DGCLKSJQSA-N 317.393 -0.061 30 20 DBED C#CCNC(=O)[C@H](C)N1CC(CNC(=O)CCn2cccn2)C1 1753402532 QACXLIVOTHPYQK-ZDUSSCGKSA-N 317.393 -0.541 30 20 DBED C#Cc1ccc(C(=O)NC[C@H](O)CNCc2nonc2C)nc1 1753934633 WWXNSLRYCCABOC-GFCCVEGCSA-N 315.333 -0.365 30 20 DBED Cc1ncccc1CC(=O)N(C)C1CN(CC(=O)NCC#N)C1 1754581243 DGWYCVUPIUFLCT-UHFFFAOYSA-N 315.377 -0.285 30 20 DBED C#CCN1CC(O)(CNC(=O)c2c(C)nc3ccnn3c2C)C1 1754770147 ZEHGUXNFQOGODK-UHFFFAOYSA-N 313.361 -0.244 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC(O)(CNC(=O)[C@@]23CCC[C@@H]2C3)C1 1754770836 ARAOCZQPEAZAPW-PBFPGSCMSA-N 319.405 -0.523 30 20 DBED C#CCNCCN(CCO)C(=O)c1ccc(S(C)(=O)=O)o1 1754893228 OXDYCAAOIHYYDL-UHFFFAOYSA-N 314.363 -0.660 30 20 DBED C=CCOCC(=O)N1CCO[C@@H](CNCc2cnn(C)c2)C1 1754996383 MVCHNLHFNOWRHA-AWEZNQCLSA-N 308.382 -0.060 30 20 DBED CC#CCNC[C@H]1CN(C(=O)CCS(C)(=O)=O)CCO1 1755005855 VABQZFQWZMXYRF-LBPRGKRZSA-N 302.396 -0.739 30 20 DBED C#CCCNC1(C)CCN(C(=O)[C@H]2CCS(=O)(=O)N2)CC1 1755134667 KVUPRSADTJUADV-GFCCVEGCSA-N 313.423 -0.328 30 20 DBED C=C(C)CNCC1(O)CCN(C(=O)CS(C)(=O)=O)CC1 1755148336 RXBKJUWXJLWLQO-UHFFFAOYSA-N 304.412 -0.450 30 20 DBED C#CCNC(=O)CN[C@H](C)[C@H](C)NC(=O)CN1CCC(C)CC1 1755259420 CONUCSHWSHAFGT-CABCVRRESA-N 322.453 -0.050 30 20 DBED C=C(C)CN1C[C@@H]2C(CNC(=O)Cn3ccc(O)nc3=O)[C@H]2C1 1755425363 JHICXJKKOOMTHZ-CHWSQXEVSA-N 318.377 -0.181 30 20 DBED C[C@H](CN(C)C(=O)c1ccn(C)c(=O)c1)NCC(=O)NCC#N 1755594295 PBSYNKJWMCUDEX-LLVKDONJSA-N 319.365 -0.925 30 20 DBED COCC#CCN[C@H](C)CN(C)C(=O)[C@H]1CCS(=O)(=O)C1 1755597230 KVTFONHIALDQIB-OLZOCXBDSA-N 316.423 -0.493 30 20 DBED C[C@@H](C#N)C(=O)NCCOCCN(C)C(=O)[C@H]1CCC(=O)NC1 1756381760 OFVAYLOCJCEVSH-RYUDHWBXSA-N 324.381 -0.737 30 20 DBED C=CCCC(=O)NC[C@H](CO)NC(=O)c1cc(=O)c(OC)co1 1756518081 HNPQORSDWDAVKO-SNVBAGLBSA-N 324.333 -0.179 30 20 DBED C=CCOCC(=O)NC[C@H](CO)NC(=O)C1=C(C)OCCC1 1756519178 SJJYTMBSWZNDGN-GFCCVEGCSA-N 312.366 -0.133 30 20 DBED C=C(C)CCC(=O)N[C@@H](CO)CNC(=O)c1coc(C(N)=O)c1 1756534838 ATXRRHCEFKSUAF-LLVKDONJSA-N 323.349 -0.058 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@H](NC(=O)C[C@@H](C)NC(N)=O)C1 1756997611 WTCVDOPHNRDVTM-GMTAPVOTSA-N 312.370 -0.913 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H]1CCN(C(=O)CCNC(N)=O)[C@@H]1C 1757512405 ZMLBZHGFVJDXIH-WOPDTQHZSA-N 324.381 -0.811 30 20 DBED C=C1C[C@@H](C(=O)O)N(CCNS(=O)(=O)c2cnn(C)c2)C1 1776146278 HXRMIQFZELVHCW-NSHDSACASA-N 314.367 -0.587 30 20 DBED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)COC)[C@H]2C1 1784613560 OYVZVLPWMRNGML-XUXIUFHCSA-N 308.378 -0.118 30 20 DBED C[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CC#N)n1cnnn1 1795467024 MIXIXJRVGSMANP-YFKTTZPYSA-N 317.353 -0.214 30 20 DBED CCN(C)[C@@H](C)C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1845749475 ATQPOVDEPJIZLP-LBPRGKRZSA-N 321.377 -0.382 30 20 DBED CCn1cnnc1C/N=C(/N)N1CCN(c2ncccn2)CC1 261965856 BETDKEFOGPKARB-UHFFFAOYSA-N 315.385 -0.275 30 20 DBED N/C(=N/CCNS(=O)(=O)c1ccccc1)N1CCOCC1 261991579 MGEZHANVXNHSLH-UHFFFAOYSA-N 312.395 -0.388 30 20 DBED C=CCNC(=O)CNC(=O)c1ccc(S(=O)(=O)N(C)C)o1 271953798 CQUTWLGPOPGPMK-UHFFFAOYSA-N 315.351 -0.438 30 20 DBED C=CCN(C)C(=O)C(=O)NC[C@H]1CCCN1S(C)(=O)=O 289036852 GRAVKNAWUIMIPA-SNVBAGLBSA-N 303.384 -0.829 30 20 DBED O=S(=O)(CC/N=C(/O)N1CCCO1)N1CCSCC1 329614602 PFTJYBINPIVVDR-UHFFFAOYSA-N 309.413 -0.084 30 20 DBED CN1CCO[C@@H]2CN(/C(O)=N/[C@@H]3CCCS(=O)(=O)C3)C[C@@H]21 329656099 MIVDOIVEDUTLRI-GRYCIOLGSA-N 317.411 -0.508 30 20 DBED CC(C)NC(=O)CN1CCN(/C(O)=N/Cc2ccn(C)n2)CC1 330543874 BJRLSIWMQBLMPZ-UHFFFAOYSA-N 322.413 -0.024 30 20 DBED CC(C)N1CCN(S(=O)(=O)N(C)C[C@H](C)C#N)CC1=O 336883770 DAGFEVCVSHCOHE-LLVKDONJSA-N 302.400 -0.125 30 20 DBED C[C@@H](C(=O)NC1(C#N)CCC1)N(C)C[C@H](O)CN1CCOCC1 346508246 RZVAIOALJNSLOJ-KBPBESRZSA-N 324.425 -0.438 30 20 DBED N#CCNC(=O)CNC(=O)Nc1nnc(C(F)(F)F)s1 348196925 JLCCXNMUCNIGOM-UHFFFAOYSA-N 308.245 0.318 30 20 DBED C=CCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 356504894 FZWVKJSRSHEFMB-VIFPVBQESA-N 311.363 -0.246 30 20 DBED CCOCCOCCN(C)C(=O)NCCn1cnc(C#N)n1 357820003 YFPDGGQNTFANFV-UHFFFAOYSA-N 310.358 -0.156 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCc2ncoc2C)C1=O 358209696 LTFYOWQVGRVVAX-GFCCVEGCSA-N 320.349 -0.155 30 20 DBED COc1cc(C#N)ccc1S(=O)(=O)NCCOCCO 362118062 MEIZABRZLWVFQM-UHFFFAOYSA-N 300.336 -0.146 30 20 DBED CCS(=O)(=O)NCCS(=O)(=O)N(C)CC(C)(C)C#N 432268178 NTEHTQVGAMAJFZ-UHFFFAOYSA-N 311.429 -0.263 30 20 DBED C[C@@H](CNC(=O)C(=O)Nc1ccn(CCC#N)n1)N(C)C1CC1 444582581 PFHORCWPJBASFD-NSHDSACASA-N 318.381 0.334 30 20 DBED C#CCNC(=O)C1CCN(C(=O)NCCN(C)CCOC)CC1 491099679 CMGTWYIIRJXLET-UHFFFAOYSA-N 324.425 -0.264 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2coc(COC)n2)CC1 491638586 YENJKKOYBLZUHC-UHFFFAOYSA-N 320.349 -0.672 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2ccc(F)nc2)CC1 491676575 WQQDCMKSASNWKL-UHFFFAOYSA-N 304.325 -0.272 30 20 DBED COCCN(CCC#N)S(=O)(=O)NCC(C)(C)C(=O)O 515522178 ZZPNTERZVGXLOO-UHFFFAOYSA-N 307.372 -0.206 30 20 DBED C[C@H](C#N)CNC(=O)NCCNS(=O)(=O)c1cccnc1 542880850 IXGCOGFMRUCIFN-SNVBAGLBSA-N 311.367 -0.181 30 20 DBED CO[C@@H]1COC[C@H]1NC(=O)C(=O)Nc1nn(C(C)C)cc1C#N 563706820 KREKAVOQDDOXMM-GHMZBOCLSA-N 321.337 -0.196 30 20 DBED C=C(C)CS(=O)(=O)N1CC[C@@H](N2C[C@@H](C(=O)O)CC2=O)C1 567903113 JALYULHOVFHMKA-WDEREUQCSA-N 316.379 -0.100 30 20 DBED N#Cc1cc(F)ccc1CS(=O)(=O)NC[C@H](O)C(=O)O 568517847 DHPQVDHQATYLSE-JTQLQIEISA-N 302.283 -0.438 30 20 DBED N#C[C@H]1CN(S(=O)(=O)N2CCOC[C@@H]2C2CCC2)CCO1 572398858 GGPOURCQDNEJQE-QWHCGFSZSA-N 315.395 -0.044 30 20 DBED Cc1nn(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)c(=O)n1C 594260552 ZZTSMGGKBOAFKS-ZDUSSCGKSA-N 320.397 -0.417 30 20 DBED N#Cc1ccc(CN2CC[C@H](NC(=O)[C@@H]3CC(=O)N3)C2=O)cc1 597563177 RBVRUMPUVFBHDY-STQMWFEESA-N 312.329 -0.336 30 20 DBED CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H](C#N)CO 597745562 DLSKOWWQHOPLAP-RKDXNWHRSA-N 310.314 -0.172 30 20 DBED CNS(=O)(=O)CCN1CCN(c2cnccc2C#N)CC1 598619066 VADBDJZEVNGPJL-UHFFFAOYSA-N 309.395 -0.376 30 20 DBED Cc1nc(=NC(=O)[C@@H]2CCNC2=O)n(-c2ccc(C#N)cc2)[nH]1 598686357 ZSBXOYIJQSBYLZ-GFCCVEGCSA-N 310.317 -0.056 30 20 DBED C[C@H](NC(=O)C(=O)NC[C@H]1COCCN1)c1ccc(C#N)cc1 599947358 WJZPBIVSZZZARY-FZMZJTMJSA-N 316.361 -0.160 30 20 DBED N#CCCN1CCN(C(=O)C(=O)N2CCOC[C@@H]2C2CC2)CC1 601467442 UMSBMBBELCRUJM-CQSZACIVSA-N 320.393 -0.318 30 20 DBED CN(C)CCCNC(=O)CNS(=O)(=O)c1cccc(C#N)c1 603494366 YBUQILUUUFFGID-UHFFFAOYSA-N 324.406 -0.096 30 20 DBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)N=c1nc[nH]n1C 611557945 DPSYAQAPUOUWCE-UHFFFAOYSA-N 303.330 -0.490 30 20 DBED C[C@@H](O)C(=O)N1CCN(C(=O)c2cc(O)cc(C#N)c2)CC1 614304834 IEDGZUPUMXNIQU-SNVBAGLBSA-N 303.318 -0.071 30 20 DBED C=CCOC[C@@H](NC(=O)c1ccc(=O)n(CC)n1)C(=O)OC 619511752 UPHNAKPIVPPGJE-LLVKDONJSA-N 309.322 -0.263 30 20 DBED C=C[C@@H]1OCC[C@H]1NC(=O)NCCCN1CCC[C@H]1C(N)=O 637192532 UQVAPGIMKOTHOW-AGIUHOORSA-N 310.398 -0.031 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(CN(C)[C@H]2CCOC2)c1=O 730259735 VTPIXJARABVPDY-LBPRGKRZSA-N 322.365 -0.778 30 20 DBED COC(=O)[C@@H](CC(=O)O)NS(=O)(=O)c1ccc(C#N)nc1 737576656 UDMRLMWPBMWNFW-SECBINFHSA-N 313.291 -0.752 30 20 DBED N#Cc1ccc(OC[C@H](O)CN2C[C@H](O)C[C@H]2C(=O)O)cc1 739129371 WKLPVBBNEFTCRN-BZPMIXESSA-N 306.318 -0.182 30 20 DBED C#CCSCCNC(=O)CNS(=O)(=O)c1cnn(C)c1 739825335 HKKPDXXTMRHOPJ-UHFFFAOYSA-N 316.408 -0.819 30 20 DBED C=C(C)CN(CC)C(=O)COC(=O)[C@H](C)NS(C)(=O)=O 758476816 LLDWSBGFLUGTDR-JTQLQIEISA-N 306.384 -0.108 30 20 DBED COC(=O)c1cc(C(=O)OC)n(CN2CCO[C@H](C#N)C2)n1 765697948 ODZNGJHZGLTPSZ-SECBINFHSA-N 308.294 -0.362 30 20 DBED C#CCSCCNS(=O)(=O)CCCN1CCOCC1 766062691 GEOUPOOMBBDMDA-UHFFFAOYSA-N 306.453 -0.006 30 20 DBED C#C[C@@H](C)N(C)C(=O)COCCOCC(=O)N(C)[C@H](C)C#C 767258220 ZPOWUSPEVNBDIK-ZIAGYGMSSA-N 308.378 -0.020 30 20 DBED C#CCC[C@@H](O)CNC(=O)NCCCN1CCC[C@@H](C(N)=O)C1 798418850 QAEWGTUBMVJDKI-ZIAGYGMSSA-N 324.425 -0.353 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1CC(=O)N(C)C[C@@H]1C 800122337 BZTKTVPHQWQJLU-NSHDSACASA-N 318.399 -0.744 30 20 DBED N#Cc1ncn(CCNC(=O)N2CCC[C@@H](C3OCCO3)C2)n1 807511724 CJUBFYCZFDEURO-LLVKDONJSA-N 320.353 -0.056 30 20 DBED CN(C)c1c(C=NN[C@H]2CCCOC2)c(=O)n(C)c(=O)n1C 807983811 YLQLYMZIVRPEPY-JTQLQIEISA-N 309.370 -0.748 30 20 DBED CSCCON=Cc1c(N(C)C)n(C)c(=O)n(C)c1=O 807986836 WUQULLIZKMJFJV-UHFFFAOYSA-N 300.384 -0.137 30 20 DBED C#C[C@H](NC(=O)C(=O)N1C[C@@H](CO)OC(C)(C)C1)[C@@H]1CCCO1 817839330 YCZXDJHSVNIQIK-AVGNSLFASA-N 324.377 -0.718 30 20 DBED C=CCNC(=O)CNC(=O)[C@@H]1CNC(=O)C[C@H]1C(F)(F)F 821753201 IJJGXRDCPQWMJD-HTQZYQBOSA-N 307.272 -0.281 30 20 DBED C#CC1CCN(S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC1 828118740 XKSNRKUPXGUCSY-UHFFFAOYSA-N 311.363 -0.882 30 20 DBED C#CCOc1cccc(NC(=O)C(=O)N[C@H](CO)[C@@H](C)O)c1 839598684 RXFRSJLPECJKEC-ZWNOBZJWSA-N 306.318 -0.505 30 20 DBED C#C[C@H](C)N(C)C(=O)CS(=O)(=O)CC(=O)N(C)[C@@H](C)C#C 847955751 QCKYYJUNMACZLD-RYUDHWBXSA-N 312.391 -0.639 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)N2C[C@H](C)O[C@H](C)C2)CC1 858941595 DMPVVXWKMUWFRT-OKILXGFUSA-N 322.409 -0.417 30 20 DBED C#CC[C@H](COC)NS(=O)(=O)N(CCOC)CCOC 859427145 TYYMOKACJBAWBR-GFCCVEGCSA-N 308.400 -0.546 30 20 DBED C#CC[C@@H](CO)NC(=O)[C@@H]1CC[C@H]1C(=O)N[C@@H](CO)CC#C 868473437 OIRIVNHRNXACMD-XJFOESAGSA-N 306.362 -0.987 30 20 DBED C#C[C@@H](NC(=O)C(=O)N1CCN(C)C(C)(C)C1)[C@@H]1CCCO1 898003870 SEYAQYSYLUAJRL-OLZOCXBDSA-N 307.394 -0.164 30 20 DBED C#CC1(O)CN(CCOc2ccc(S(=O)(=O)N(C)C)cc2)C1 934443796 QXCCSPOPOGKZOM-UHFFFAOYSA-N 324.402 -0.004 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@H](N(C)C(=O)[C@H]2CNC(=O)N2)C1 939009270 ZNKRXQQOUOYIGV-WDEREUQCSA-N 308.382 -0.061 30 20 DBED C=CCn1cc(C(=O)N2CC[C@@H](NC(=O)[C@H]3CCOC3)C2)nn1 939657326 HCCHGQLEVSUYGM-NWDGAFQWSA-N 319.365 -0.169 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](NC(=O)c2cn(C)c(O)n2)[C@H](C)C1 939899949 HRBJCZOZXRDKLH-IVZWLZJFSA-N 305.338 -0.138 30 20 DBED C[C@H](C#N)C(=O)N1CCCN(C(=O)[C@H]2CCC(=O)N2C)CC1 942011123 CBUBBBKIELRIGX-VXGBXAGGSA-N 306.366 -0.172 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]1CNC(=O)c1ccc(C(N)=O)o1 951309122 ANVLWJCMGMYRAV-DTWKUNHWSA-N 304.306 -0.131 30 20 DBED C=C1CC(C)(C(=O)N2CC[C@H]2CNC(=O)c2nnn(C)n2)C1 951622579 FUPDMEGKHSHWDN-JTQLQIEISA-N 304.354 -0.103 30 20 DBED C=CCn1cc(C(=O)N(C)C2CN(C(=O)[C@H]3CCCO3)C2)nn1 954312032 XGDTXSXZWLIKIP-CYBMUJFWSA-N 319.365 -0.074 30 20 DBED CCN1CCOC[C@@H]1C(=O)N(C)C1CN(C(=O)[C@@H](C)C#N)C1 954683638 MJTFRLUEYXNWKU-WCQYABFASA-N 308.382 -0.464 30 20 DBED C=CCN1C[C@H](O)[C@H](CNC(=O)c2cnc3[nH]nnc3c2)C1 958135282 LJGMIHRTAPDBSO-PWSUYJOCSA-N 302.338 -0.439 30 20 DBED C=CCCN1C[C@@H](O)[C@H](CNC(=O)c2cc(C(N)=O)cn2C)C1 958220313 WNUHLYUTQSTJEY-TZMCWYRMSA-N 320.393 -0.277 30 20 DBED C=C(C)CN1C[C@H](CNC(=O)c2ccc(C(N)=O)[nH]2)[C@@H](O)C1 958409528 UPFSZEPUIHMESU-GWCFXTLKSA-N 306.366 -0.288 30 20 DBED C#CCCN1C[C@H](O)[C@H](CNC(=O)c2cn(CCC)nn2)C1 958552669 WENIENDGSMTRAY-OCCSQVGLSA-N 305.382 -0.266 30 20 DBED C#CCN1CCC(C(=O)NC[C@@H]2CN(CCCO)C[C@@H]2O)CC1 958724871 USICKYGSEDQUAZ-CVEARBPZSA-N 323.437 -0.877 30 20 DBED C=CCN1C[C@H]2C(NC(=O)[C@H]3CC(=O)N(c4cn[nH]c4)C3)[C@@H]2C1 959877911 UTIFNFZQHZKWAC-CYZMBNFOSA-N 315.377 -0.005 30 20 DBED N#CCN1C[C@@H]2C(NC(=O)c3ccccc3-n3cnnn3)[C@H]2C1 962505335 FEJIZPGOUMMQLO-RYUDHWBXSA-N 309.333 -0.154 30 20 DBED C[C@H]1CCN(CC#N)C[C@@H]1NC(=O)c1cnc(O)n(C)c1=O 967699676 DXMOSZNFJCMBBS-ONGXEEELSA-N 305.338 -0.550 30 20 DBED C#CCCN1CC[C@H](C)[C@@H](NC(=O)CN2CC(=O)NC2=O)C1 968430024 ASSCRRYSQHCKKG-RYUDHWBXSA-N 306.366 -0.612 30 20 DBED O=C(N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O)c1ccncn1 969973670 XRCZWBVYHRPOBN-OLZOCXBDSA-N 300.318 -0.809 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)c3cnnn3C)C2)cn1 974084270 LRQKEYYUORGLSM-BETUJISGSA-N 324.344 -0.118 30 20 DBED Cn1c(O)ncc(C(=O)N[C@@H]2CN(CC#N)CC2(C)C)c1=O 974923505 OKHURFOGFIKPRF-SNVBAGLBSA-N 305.338 -0.550 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H](CNC(=O)c2cnn(C)n2)C1 975378470 BQWLYRQOYVFJNM-WDEREUQCSA-N 304.354 -0.057 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)[C@@H]3CCC(=O)N(C)C3)[C@H]2C1 976663147 RSZDFTKXIUVADC-SSKLVLDBSA-N 318.377 -0.413 30 20 DBED N#CCN1C[C@@H]2CC[C@@H](NC(=O)Cn3cnnc3O)C[C@H]2C1 979614949 IZTIMOSLTQBITJ-SDDRHHMPSA-N 304.354 -0.276 30 20 DBED N#CCN1CCCN(C(=O)[C@@]23C[C@H]4C[C@H](C(=O)N2)[C@H]3C4)CC1 981495122 QEPOUXWKPLLJNB-JFILPPLUSA-N 302.378 -0.041 30 20 DBED C=CCN1CCCC2(C1)CN(C(=O)[C@@H]1CCS(=O)(=O)N1)C2 982154141 SWKZELGBRKSZIK-LBPRGKRZSA-N 313.423 -0.212 30 20 DBED NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H]1CCN(C(=O)C#CC2CC2)C1 982739379 LHHIWPHCVDEHGD-XQQFMLRXSA-N 303.362 -0.514 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](CNC(=O)c2nnc(O)nc2O)C1 983218359 XMVBGFQOVVQGNQ-JGVFFNPUSA-N 320.309 -0.979 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](CNC(=O)c2cnc(O)n2C)C1 983219772 DSZDXIJWZOETNW-VHSXEESVSA-N 305.338 -0.136 30 20 DBED C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)CN2CCNC(=O)C2)C1 989293512 GVPKZSMBWBJTKZ-NEPJUHHUSA-N 314.817 -0.250 30 20 DBED C#Cc1ccc(C(=O)N2CC(NC(=O)C3=COCCO3)C2)cn1 990125380 QHQXHPNWYWWBSV-UHFFFAOYSA-N 313.313 -0.108 30 20 DBED Cc1nonc1C(=O)N1CC(NC(=O)c2cc(C#N)c[nH]2)C1 990704268 RMPILAXUALFJMD-UHFFFAOYSA-N 300.278 -0.168 30 20 DBED C#Cc1cncc(C(=O)N2CC(NC(=O)c3cnnn3C)C2)c1 991106835 CFGJZVBFLCTXFR-UHFFFAOYSA-N 310.317 -0.554 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)C[C@@H]2CCNC2=O)C1 993460521 UMRUIMNBTLQVFG-UHTWSYAYSA-N 321.377 -0.569 30 20 DBED O=C(NC1CN(C(=O)C#CC2CC2)C1)[C@H]1CCc2nncn2C1 993847032 PZGWIGJUPGZGRL-LBPRGKRZSA-N 313.361 -0.419 30 20 DBED C#Cc1ccc(C(=O)NCc2cn(C3CN(C(C)=O)C3)nn2)cn1 994713038 WDLNZRWTJWDDDP-UHFFFAOYSA-N 324.344 -0.012 30 20 DBED C#CCN[C@H]1CCCN(C(=O)CN2C(=O)NC(=O)C2(C)C)C1 1000619561 AFWYTPOJYQYBBM-NSHDSACASA-N 306.366 -0.469 30 20 DBED N#Cc1cc(C(=O)NCC2CN(C(=O)[C@@H]3COCCO3)C2)c[nH]1 1001494031 MYUHSFYAUXOTSF-ZDUSSCGKSA-N 318.333 -0.510 30 20 DBED CO[C@H]1C[C@H](C(=O)NCC2CCN(CC#N)CC2)N(C(C)=O)C1 1001683903 JDEDQOPBLVCODE-LSDHHAIUSA-N 322.409 -0.026 30 20 DBED C=CCN1CC[C@H](N2CC[C@H](NC(=O)Cc3cc[nH]n3)C2)C1=O 1010412781 DVMWQYSOSXDPBW-KBPBESRZSA-N 317.393 -0.070 30 20 DBED C[C@H](C#N)C(=O)N1CCCC2(CN(C(=O)Cn3cnnn3)C2)C1 1010531104 SNRLCBZUJYEIMP-LLVKDONJSA-N 317.353 -0.716 30 20 DBED Cn1cnc(C(=O)N2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)n1 1010925911 ZEDCQKNKMQPODF-UHFFFAOYSA-N 313.321 -0.387 30 20 DBED C#Cc1ccc(C(=O)N2C[C@H]3C(NC(=O)c4cnon4)[C@@H]3C2)nc1 1013633972 CFBNSONKZHIKNV-GHMZBOCLSA-N 323.312 -0.054 30 20 DBED CC#CCN1CC[C@H](NC(=O)Cc2c(C)nc(O)nc2O)C1 1015896258 VXDBIDHUFSAECG-NSHDSACASA-N 304.350 -0.047 30 20 DBED C#CCCN1CCC2(CC1)C[C@H]2NC(=O)CN1CCOCC1=O 1016661240 KBDHWGJZDCIFLC-CQSZACIVSA-N 319.405 -0.161 30 20 DBED O=C1N[C@@H](C(=O)NCC2=CCN(C(=O)C#CC3CC3)CC2)CO1 1017422974 HDEGGRPITCHYOG-CYBMUJFWSA-N 317.345 -0.217 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCN(C(=O)[C@H]3CC(=O)N(C)C3)C2)C1 1019364739 LBGUXVCQUHUCIX-RYUDHWBXSA-N 318.377 -0.315 30 20 DBED C=CCN1CC[C@H](N[C@H]2C[C@H](NC(=O)Cn3nccn3)C2)C1=O 1020199478 SKECEFPVVXSRQD-AVGNSLFASA-N 318.381 -0.698 30 20 DBED C=C(C)CN[C@H]1C[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)C1 1020925354 PNPBUNSQQJVJEY-MGCOHNPYSA-N 302.338 -0.156 30 20 DBED C=C(C)CCN1CC(NC(=O)c2cc(=O)n3[nH]cnc3n2)C1 1031251459 LISXKOKVISXTGG-UHFFFAOYSA-N 302.338 -0.202 30 20 DBED C=CCN1CC[C@H](N2CC(CNC(=O)c3nonc3C)C2)C1=O 1032225834 JNUCAPFTPOKTJV-LBPRGKRZSA-N 319.365 -0.173 30 20 DBED C=C(Cl)CN1CCO[C@@H](CNC(=O)c2nnn(C)n2)C1 1035476811 FVIHETJBTDUOQF-VIFPVBQESA-N 300.750 -0.607 30 20 DBED C#CCCN1CCO[C@H](CNC(=O)c2c(C)ncnc2O)C1 1035482929 BJSLOJPDKIKOFP-GFCCVEGCSA-N 304.350 -0.055 30 20 DBED COCCn1cc(C(=O)N[C@@H]2[C@H]3C[C@H]2N(CC#N)C3)ccc1=O 1037490396 YRGDYLYVAOJWSB-GZBFAFLISA-N 316.361 -0.179 30 20 DBED CC(C)C#CC(=O)NC[C@@]1(O)CCN(C(=O)Cn2ccnc2)C1 1039665216 HGPGROHXDBLSSL-INIZCTEOSA-N 318.377 -0.378 30 20 DBED C=CCC(C)(C)C(=O)NC[C@@]1(O)CCN(C(=O)CC(N)=O)C1 1039731651 AXHINLZVDBQVBQ-HNNXBMFYSA-N 311.382 -0.456 30 20 DBED C=C(C)CCC(=O)NC[C@]1(O)CCN(C(=O)c2nnn(C)n2)C1 1040049375 ZWKGPUULQIPRHV-CQSZACIVSA-N 322.369 -0.740 30 20 DBED C#CCN1CCC[C@@]2(CCN(C(=O)C[C@H]3CC(=O)NC3=O)C2)C1 1040555495 IJRBBEZVPMAVHR-CXAGYDPISA-N 317.389 -0.013 30 20 DBED C#CCCCCC(=O)N1CC[C@](O)(CNC(=O)c2cnon2)C1 1040666572 XZELWQMJKBPUHW-HNNXBMFYSA-N 320.349 -0.044 30 20 DBED N#Cc1cnc(N2C[C@@H]3CCN(C(=O)Cc4nc[nH]n4)[C@@H]3C2)cn1 1040712076 UASBBVATPYUTRM-CMPLNLGQSA-N 324.348 -0.254 30 20 DBED Cc1ncoc1C(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1O 1040982131 GBUAMWPXBOYDPD-GHMZBOCLSA-N 314.305 -0.376 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)c2n[nH]cc2F)C1 1042052940 XDADJJPARDDAFG-UHFFFAOYSA-N 312.301 -0.946 30 20 DBED COCC1(C(=O)N2CC(O)(CNC(=O)C#CC(C)C)C2)CC1 1042940681 FCTHQVIUNMJXEZ-UHFFFAOYSA-N 308.378 -0.238 30 20 DBED Cc1cnn(C)c1C(=O)N1CC(O)(CNC(=O)C#CC(C)C)C1 1042942720 BJOZNEJXNBRIKY-UHFFFAOYSA-N 318.377 -0.309 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)[C@H]2CC[C@H]2C(N)=O)C1 1044451864 LOFPJZNUZMGIIN-MNOVXSKESA-N 323.393 -0.600 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)c2cn(C)c(O)n2)C1 1045732033 WGURZBNTWDOQFU-UHFFFAOYSA-N 308.338 -0.605 30 20 DBED N#CCN1CC[C@@H](N2CCN(C(=O)c3nccnc3N)CC2)C1 1046014473 XQRXRYAMXLTWPH-GFCCVEGCSA-N 315.381 -0.586 30 20 DBED C=CCN1CC[C@H](N2C[C@H](O)[C@@H](N(C)C(=O)C(C)C)C2)C1=O 1047306655 SFJDQBDUHIDEPY-IHRRRGAJSA-N 309.410 -0.067 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C(N)=O)nc2)C1 1047648561 RMFSBACXSKPZOP-KBPBESRZSA-N 316.361 -0.679 30 20 DBED C#Cc1ccc(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)COC)C2)nc1 1048022933 VMNVCPOLTHZAGQ-KBPBESRZSA-N 317.345 -0.647 30 20 DBED C=CCOCC(=O)N[C@@H](C)[C@H]1CCN(C(=O)c2cn(C)nn2)C1 1050613106 VYWLBAPLMIMKKK-RYUDHWBXSA-N 321.381 -0.016 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC2(CN(Cc3cn(C)nn3)C2)C1 1053190765 DOHPBKVZUWFJIJ-NSHDSACASA-N 304.354 -0.612 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)c1cnn(CC)n1)CCO2 1053246753 JSCOUOURCUWZNL-UHFFFAOYSA-N 303.366 -0.152 30 20 DBED CO[C@H](C(=O)N1CCOC2(CN(CC#N)C2)C1)[C@@H]1CCOC1 1053358348 OSHHRELWBQRAJN-OLZOCXBDSA-N 309.366 -0.525 30 20 DBED C#CCN1CC2(C1)CN(C(=O)[C@H](CC)N1CCCC1=O)CCO2 1053536234 MDWKDJOTUPNSFB-AWEZNQCLSA-N 319.405 -0.066 30 20 DBED CCN1C[C@H](C(=O)N[C@@H]2COC3(C2)CN(CC#N)C3)CC1=O 1053821928 BCYZIDDOSVXCPI-NEPJUHHUSA-N 306.366 -0.662 30 20 DBED CCCN1C[C@@H](C(=O)N[C@@H]2COC3(C2)CN(CC#N)C3)CC1=O 1053940560 GXOWYSBHWIJUKR-STQMWFEESA-N 320.393 -0.272 30 20 DBED C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1NCc1nnnn1C 1054559626 LCEHGLZLOMLFKA-SKDRFNHKSA-N 314.353 -0.340 30 20 DBED C=CCOCC(=O)N1C[C@H]2CN(C(=O)[C@@H]3COCCO3)C[C@H]2C1 1055184841 MEECJQFEFFRDCX-MJBXVCDLSA-N 324.377 -0.479 30 20 DBED N#Cc1cnc(N2CCN(C(=O)[C@@H]3COCCO3)CC2)cn1 1055727776 HDKSLRDZWUYNCS-LBPRGKRZSA-N 303.322 -0.588 30 20 DBED N#Cc1cnc(N2C[C@H]3C(NC(=O)c4ccc(O)nn4)[C@@H]3C2)cn1 1056113526 GLQDCTJQNGNLQJ-NXEZZACHSA-N 323.316 -0.292 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)[C@@H](C)COC 1057189646 ZBNCNYAWZFXLSX-LBPRGKRZSA-N 302.371 -0.591 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)[C@@H]1[C@H]2COC[C@H]21 1057196270 AQXBXACRSHJPKZ-IMRBUKKESA-N 312.366 -0.982 30 20 DBED C=C(C)CCC(=O)N(CCO)CCNC(=O)[C@@H]1COC(=O)N1 1057804756 SOSVSECHDLDPDB-NSHDSACASA-N 313.354 -0.612 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(CCO)CCNC(=O)CC1CC1 1057960984 DEQSPSSGACPTGK-HNNXBMFYSA-N 321.421 -0.179 30 20 DBED C=CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)c1cncn1C 1058029805 TXXJQRBETXLURV-LBPRGKRZSA-N 324.381 -0.438 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(CCO)CCNC(=O)C#CC1CC1 1058874440 XDPPSISOSGKTQM-CABCVRRESA-N 320.389 -0.072 30 20 DBED C[C@]1(C(=O)N[C@H]2C[C@H](N=c3cc[nH]c(C#N)n3)C2)CNC(=O)C1 1059355191 HWVOQIXUQLHZHU-IQMDTDKHSA-N 314.349 -0.645 30 20 DBED N#Cc1nc(=N[C@H]2C[C@H](NC(=O)[C@H]3CC[C@@H]3C(N)=O)C2)cc[nH]1 1059368149 GUJRXGHKZWIYMX-NAKRPEOUSA-N 314.349 -0.659 30 20 DBED N#Cc1ccc(N[C@H]2C[C@@H](NC(=O)[C@@H]3CNC(=O)N3)C2)nn1 1059802643 IUBDFBNLWWFKAJ-AEJSXWLSSA-N 301.310 -0.911 30 20 DBED C=CCOCC(=O)N1CCOC[C@@H]1CNC(=O)Cn1cccn1 1061283302 FNRKVGCLQDBLOJ-ZDUSSCGKSA-N 322.365 -0.571 30 20 DBED C=CCOCC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1CCOC1 1061421715 SSPLJKULIRPMJC-OLZOCXBDSA-N 312.366 -0.431 30 20 DBED C=CCOCC(=O)NC[C@@H]1COCCN1C(=O)[C@@]12COC[C@@H]1C2 1061426816 UZQNILRQDSHOLI-ZENOOKHLSA-N 324.377 -0.431 30 20 DBED C=CCOCCCC(=O)NC[C@H]1COCCN1C(=O)COC 1061465006 JINAUIZIZQIYQL-ZDUSSCGKSA-N 314.382 -0.041 30 20 DBED C=CCCC(=O)N1CCOC[C@@H]1CNC(=O)Cn1cnnc1O 1061523333 MXPIEMHMJNDENP-NSHDSACASA-N 323.353 -0.707 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1COCCN1C(=O)c1cnon1 1061566867 WSBWRIGOLCZJHK-LLVKDONJSA-N 306.322 -0.314 30 20 DBED N#Cc1cnc(N2CCO[C@@H](CNC(=O)[C@@H]3CCOC3)C2)cn1 1063618783 JTJZAVDQPPVERJ-YPMHNXCESA-N 317.349 -0.294 30 20 DBED C[C@H](Nc1cncc(C#N)n1)[C@H]1CCCN(C(=O)C(N)=O)C1 1063904320 JNRRUKGGFYKCNI-UWVGGRQHSA-N 302.338 -0.127 30 20 DBED C=CCCC(=O)NC1(CNC(=O)CN2CC(=O)NC2=O)CCC1 1063987363 ZERPPUNCCNJBQK-UHFFFAOYSA-N 322.365 -0.341 30 20 DBED C=CCOCC(=O)N1CCO[C@@H](CNC(=O)c2cccnn2)C1 1064972398 WJJSSZGPDNXPOP-LBPRGKRZSA-N 320.349 -0.364 30 20 DBED Cn1nnc(C(=O)N2CCC[C@H]2CN=c2cc[nH]c(C#N)n2)n1 1064990035 ZYCXVPPIIVPDDF-VIFPVBQESA-N 313.325 -0.990 30 20 DBED Cc1cc(CC(=O)N2CCO[C@H](CNC(=O)[C@@H](C)C#N)C2)n[nH]1 1065034101 GJLCHJSGUUBATA-GXFFZTMASA-N 319.365 -0.236 30 20 DBED Cn1nnc(C(=O)N[C@@]2(C)CCN(c3cncc(C#N)n3)C2)n1 1065316532 FSIUXKTWBIDYIV-ZDUSSCGKSA-N 313.325 -0.729 30 20 DBED N#Cc1cnc(N2CCOC[C@H]2CNC(=O)c2cnco2)cn1 1066509886 MRHIUYCPYQRNCH-LLVKDONJSA-N 314.305 -0.029 30 20 DBED N#Cc1cccnc1N1C[C@H](O)[C@H](CNC(=O)c2cnccn2)C1 1067645277 LBFKIJRVEDDKPH-OCCSQVGLSA-N 324.344 -0.030 30 20 DBED N#Cc1cnc(N2C[C@@H](O)[C@@H](CNC(=O)c3ccc[nH]3)C2)cn1 1067657230 YRJAETGJMOEECD-GXFFZTMASA-N 312.333 -0.097 30 20 DBED C=CCOCC(=O)N1CC2(C[C@@H](NC(=O)[C@H]3CCCO3)CO2)C1 1068679840 RJSMOGVWSCSMLK-CHWSQXEVSA-N 324.377 -0.146 30 20 DBED N#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)Cn2cccn2)C1 1069896437 QFPGGJCTKPYTLF-NEPJUHHUSA-N 300.326 -0.960 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1 1070623554 VFQLANOAVODGMF-LLVKDONJSA-N 317.349 -0.257 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)C[C@@H]4COC(=O)C4)C[C@@]3(C1)O2 1070786833 OWINOSLQTQSEGQ-ZOMKSWQUSA-N 318.373 -0.126 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)[C@H]4COC(=O)N4)C[C@@]3(C1)O2 1070794125 YWPASSJBXDNPTM-FUTJPDQTSA-N 305.334 -0.970 30 20 DBED C#CCCN1C[C@H]2C[C@@H]3CN(C(=O)c4cnn[nH]4)C[C@@]3(C1)O2 1070820504 RBPXCERRAFRZES-LALPHHSUSA-N 301.350 -0.257 30 20 DBED COC1CC(C(=O)N2CCC(=O)NCCN(CC#N)CC2)C1 1070973005 YEMSKDRGFXVITN-UHFFFAOYSA-N 308.382 -0.415 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)[C@@H]2CCN(C)C2=O)CC1 1070986741 ADCKNPLMLGCDLW-CYBMUJFWSA-N 322.409 -0.699 30 20 DBED C=CCCC(=O)N[C@@H]1CCCN(C(=O)c2nnc(O)nc2O)C1 1071033342 AYDMMCBTDOTLTA-SECBINFHSA-N 321.337 -0.030 30 20 DBED C#CCN1CCN([C@@H]2CCCN(C(=O)[C@@H]3CCCO3)C2)C(=O)C1 1071254034 UUBPBJAQFUNZCG-CABCVRRESA-N 319.405 -0.066 30 20 DBED C=CCCOCC(=O)N1C[C@H](C)[C@@H](NC(=O)c2nnn(C)n2)C1 1072338867 IJYFMJOYCMRTNJ-QWRGUYRKSA-N 322.369 -0.621 30 20 DBED C[C@@H]1CN(C(=O)COCCN(C)C)C[C@H]1NC(=O)C#CC1CC1 1072433429 WEJXPGBEESNEEL-UKRRQHHQSA-N 321.421 -0.059 30 20 DBED C=CCN1CC[C@@H](N2CCC3(CN(C(=O)CC(N)=O)C3)C2)C1=O 1072565795 LMKWLBSOWGBJJQ-GFCCVEGCSA-N 320.393 -0.817 30 20 DBED C#CCN1CCC2(C1)CN(C(=O)CCn1cnccc1=O)C2 1073087014 FXVVJAFNVSLYER-UHFFFAOYSA-N 300.362 -0.199 30 20 DBED N#CCN1CCCO[C@H](CNC(=O)[C@H]2CCCc3nn[nH]c32)C1 1073749400 YGMABVGQPNRSNP-NEPJUHHUSA-N 318.381 -0.045 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2CN(CCOC)CCCO2)nn1 1073807263 KFACNJLRIYLVBP-ZDUSSCGKSA-N 323.397 -0.069 30 20 DBED Cc1nc(CC(=O)N2CC[C@H]3OCCN(CC#N)[C@H]3C2)n[nH]1 1074239108 XAIMJVGETAYICO-NWDGAFQWSA-N 304.354 -0.519 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CCN(C(=O)[C@@H]2CCOC2)CC1 1074506852 XAERRPMPFDSXMG-NWDGAFQWSA-N 309.366 -0.348 30 20 DBED C=CCN1CC[C@H](N2C[C@@H]3CCN(C(=O)CC(N)=O)[C@@H]3C2)C1=O 1075630295 CEDRHCYRQIQICG-RWMBFGLXSA-N 320.393 -0.819 30 20 DBED Cn1cc(C(=O)N2CC[C@H]3CN(CC#N)C[C@H]32)c(O)nc1=O 1076566324 XXVVGCMRNYOZDJ-GXSJLCMTSA-N 303.322 -0.844 30 20 DBED C=CCOc1ccccc1C(=O)N[C@@H]1CN(CC(N)=O)C[C@H]1O 1077247223 RDCCUEONSVKNPN-CHWSQXEVSA-N 319.361 -0.488 30 20 DBED C[C@@H]1CN(Cc2nc(O)n[nH]2)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 1079600247 YOYTWYRNTNJSAA-LDYMZIIASA-N 315.337 -0.040 30 20 DBED C#CCNC(=O)CC(=O)N(CC)C1CN(C(=O)CCCF)C1 1079645806 NDXMPHJFOSQQMT-UHFFFAOYSA-N 311.357 -0.065 30 20 DBED C#CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)[C@@H]2COCCO2)C1 1079770831 NCSSSFKVAHOKGC-OCCSQVGLSA-N 324.377 -0.501 30 20 DBED COCCC(=O)NC[C@H]1CN(C(=O)CSCC#N)C[C@@H]1O 1081146174 DRQQCGSUTFGXFN-QWRGUYRKSA-N 315.395 -0.785 30 20 DBED C=CCn1cc(C(=O)N2C[C@H](O)[C@H](CNC(=O)C(C)C)C2)nn1 1081281755 OIXMVMXBVCSCTP-YPMHNXCESA-N 321.381 -0.331 30 20 DBED CCCOCC(=O)NC[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 1081328284 VWDKOUSPQKLYBQ-KBPBESRZSA-N 308.378 -0.238 30 20 DBED CCOCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2c[nH]c(C#N)c2)C1 1081418677 BMOWDWJLJNOXGF-WCQYABFASA-N 320.349 -0.528 30 20 DBED Cc1c[nH]nc1C(=O)NC[C@@H]1CN(C(=O)C#CC(C)C)C[C@H]1O 1081466199 PWUAWWYXRSENKK-CHWSQXEVSA-N 318.377 -0.073 30 20 DBED C=CCC1(C(=O)NC[C@@H]2CN(C(=O)C(N)=O)C[C@@H]2O)CCCC1 1081593416 YOEMNMXKGVXGDG-NEPJUHHUSA-N 323.393 -0.456 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2ncccn2)C1 1081686910 BRTKJMLPQARAJP-NWDGAFQWSA-N 304.350 -0.008 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@H]1CCc2ncncc2C1 1081788661 VHNCGRNPOVOFSC-NILFDRSVSA-N 315.377 -0.080 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1cc2ncccn2n1 1082258256 IHLDNQQQEXECHE-VXGBXAGGSA-N 300.322 -0.318 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)Cc1cncn1C 1083248414 FRXKKXVFWBCKQL-LSDHHAIUSA-N 302.378 -0.103 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN([C@@H]3CCN(C)C3=O)C[C@@H]2O)C1 1083763540 PSWQXNARHLBBPX-UPJWGTAASA-N 307.394 -0.265 30 20 DBED CCCC(=O)N1CCCC[C@H]1C(=O)N[C@@H]1CN(CC#N)C[C@@H]1O 1084084875 DTEKORDEPRTPSL-RDBSUJKOSA-N 322.409 -0.148 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)[C@@H](C)N3C(=O)CCC3=O)[C@@H]2C1 1084387764 XNNCANUPKOVXAE-JHJVBQTASA-N 303.362 -0.310 30 20 DBED CN(C[C@@H]1CCN1CC#N)C(=O)c1cc(=O)n2[nH]cnc2n1 1085923726 FGVOZZCDRLOUGL-VIFPVBQESA-N 301.310 -0.913 30 20 DBED CNC(=O)NCC(=O)N[C@@H](C)C[C@@H](C)Nc1nccnc1C#N 1089500912 VJEXWFZTJXVLHU-VHSXEESVSA-N 319.369 -0.028 30 20 DBED CC(=O)CCCC(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1O 1090365365 OEMZGLINRFWTOV-VXGBXAGGSA-N 317.349 -0.227 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2cncc(C(N)=O)c2)[C@@H](O)C1 1090819525 CGWAZGCMHMKCHF-KGLIPLIRSA-N 316.361 -0.631 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@@H]2CN(c3ccc(C#N)nn3)C[C@@H]12 1093265534 HKTCEQDKDMNOOU-VXGBXAGGSA-N 324.344 -0.961 30 20 DBED N#Cc1nc(=NCCNC(=O)CCCn2ccnn2)cc[nH]1 1093929896 HOQAGSINBTVDMT-UHFFFAOYSA-N 300.326 -0.630 30 20 DBED COC[C@]1(C(=O)NCCNc2cnc(C#N)cn2)CCOC1 1094008868 CDCNPIWCSGPQHQ-CQSZACIVSA-N 305.338 -0.071 30 20 DBED N#Cc1nccnc1NCCNC(=O)c1cc(C(N)=O)co1 1094136236 APBSBFAFWGANBR-UHFFFAOYSA-N 300.278 -0.118 30 20 DBED COCC(=O)NCCC(=O)NCCN=c1cc(C)[nH]cc1C#N 1094196385 FVMOOAXRTBUDAK-UHFFFAOYSA-N 319.365 -0.636 30 20 DBED Cc1c(C(=O)NCCCN=c2cc[nH]c(C#N)n2)nnn1C 1094351876 PSNLARSZGXAOLU-UHFFFAOYSA-N 300.326 -0.561 30 20 DBED N#Cc1c[nH]ccc1=NCCCNC(=O)C[C@H]1CC(=O)NC1=O 1094485559 KVUYRKARFGBLAZ-JTQLQIEISA-N 315.333 -0.654 30 20 DBED CCN(CCCNC(=O)[C@H]1C[C@H]1C(N)=O)c1cnc(C#N)cn1 1095971666 WIVZBTQGFZVEOY-NEPJUHHUSA-N 316.365 -0.198 30 20 DBED CCC(=O)NCC(=O)N[C@@H]1CCN(c2cnc(C#N)cn2)C1 1096331829 SIOJPQRAHOOBQK-SNVBAGLBSA-N 302.338 -0.431 30 20 DBED CNC(=O)NCCC(=O)N[C@@H]1CCN(c2ccc(C#N)nc2)C1 1096366658 IJRZIFYPOAWNBV-GFCCVEGCSA-N 316.365 -0.033 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H]1C[C@H](Nc2nccn3nnnc23)C1 1097068841 JNSSLYZOVZDXJN-GMTAPVOTSA-N 315.337 -0.383 30 20 DBED Cc1cc(C#N)nc(N2CCC[C@H](CNC(=O)C(N)=O)C2)n1 1097339547 NYYVPJFQNHHXKR-SNVBAGLBSA-N 302.338 -0.525 30 20 DBED COc1c(C(=O)N2CCC(N(CC#N)CCO)CC2)cnn1C 1098548628 WMQVIGCYQZAWFL-UHFFFAOYSA-N 321.381 -0.149 30 20 DBED Cn1cnc(C(=O)N2CC[C@@H](n3cc(CNCC#N)nn3)C2)n1 1098666961 MYCAOPYIJCIJOD-LLVKDONJSA-N 315.341 -0.893 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)CCSC)[C@@H](O)C1 1099656851 LEZLDBBOUVFUGF-RYUDHWBXSA-N 313.423 -0.960 30 20 DBED N#CCNC(=O)CN1CC[C@@H](NC(=O)Cc2ccoc2)[C@H](O)C1 1099787133 UGNJZKUIOSGOAU-CHWSQXEVSA-N 320.349 -0.987 30 20 DBED C=CCCCN1CC[C@@H](NC(=O)C2CS(=O)(=O)C2)[C@@H](O)C1 1099840560 DNMZMSNWMYBWDG-OLZOCXBDSA-N 316.423 -0.451 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)COc2cnn(C)c2)[C@@H](O)C1 1099969881 NUIOBQSBFWVISA-KGLIPLIRSA-N 308.382 -0.074 30 20 DBED Cc1cc(C#N)nc(N(C)CCNC(=O)CNC(=O)C2CC2)n1 1099997821 NCZVBOVAZPSDBT-UHFFFAOYSA-N 316.365 -0.265 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)CCN2CCOCC2)[C@H](O)C1 1100037219 VYZBQWPHTFSCEO-LSDHHAIUSA-N 311.426 -0.164 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CNC(=O)C2CCC2)[C@H](O)C1 1100123679 ANNMVUIQVGUBOQ-ZIAGYGMSSA-N 307.394 -0.523 30 20 DBED CO[C@@H](C(=O)NCCN(C)c1cncc(C#N)n1)[C@H]1CCOC1 1100250525 GPZXHFADZSSNQT-SMDDNHRTSA-N 319.365 -0.048 30 20 DBED CC(=O)NCC(=O)NCCN(c1nccnc1C#N)C1CC1 1101278815 CXJAXGRSOSPSCS-UHFFFAOYSA-N 302.338 -0.431 30 20 DBED CCc1nc(C#N)cc(NCCN(C)C(=O)[C@H]2C[C@H]2C(N)=O)n1 1101973185 POOKHWSMFILHCL-MNOVXSKESA-N 316.365 -0.098 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@@H]1CN([C@H](C)C(N)=O)C[C@H]1C 1102891357 RZXJYDUUQOJJBZ-JHJVBQTASA-N 322.409 -0.926 30 20 DBED C[C@H](CNC(=O)c1nnn(C)n1)CNc1ncccc1C#N 1104181378 ANZSVBYHCHOAOF-VIFPVBQESA-N 300.326 -0.045 30 20 DBED CCC(=O)NCC(=O)N(C)[C@H](C)CN=c1cc[nH]c(C#N)n1 1104502133 JEULQSBDZGRNHP-SNVBAGLBSA-N 304.354 -0.445 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)C1(C(N)=O)CC1 1104791619 NEPPEDQPYQFAOJ-VIFPVBQESA-N 302.338 -0.706 30 20 DBED Cc1cc(C(=O)NC[C@H](O)CNc2ccc(C#N)nn2)n(C)n1 1105733272 ONXGYARJCMYDMT-LLVKDONJSA-N 315.337 -0.407 30 20 DBED Cc1cc(C#N)nc(NC[C@H](O)CNC(=O)CSCC#N)n1 1105753616 ASJJAVCZPDXHPD-LLVKDONJSA-N 320.378 -0.198 30 20 DBED C#CCOCCC(=O)NC[C@@H](O)CNc1nc[nH]c2ncnc1-2 1105967239 XWEKJVZNYYHIAC-SNVBAGLBSA-N 318.337 -0.767 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H](O)CNc1ccc(C#N)nc1 1105970386 GROOLAGPVGUPMP-RISCZKNCSA-N 302.334 -0.119 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)c2cnnc(O)c2)cn1 1105994151 YAMDRLXQUCKPNY-GFCCVEGCSA-N 314.305 -0.348 30 20 DBED C[C@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)CCn1cnnn1 1106419027 WZTGFRFEISVLPG-SNVBAGLBSA-N 315.341 -0.846 30 20 DBED N#CCN1CC(n2cc(CNC(=O)C[C@H]3CCCO3)nn2)C1 1107135426 UCPIFDDDWGUXMD-CYBMUJFWSA-N 304.354 -0.156 30 20 DBED C[C@H](C#N)C(=O)NC[C@@]1(C)CN(CC(=O)NCC2CC2)CCO1 1107819183 MEPUDGGQNXUNIV-WBMJQRKESA-N 322.409 -0.121 30 20 DBED C[C@H](C#N)C(=O)NC[C@]1(C)CN(CCS(C)(=O)=O)CCO1 1107820700 BGRKVSMZXMXUAK-DGCLKSJQSA-N 317.411 -0.602 30 20 DBED C[C@@]1(CNC(=O)C#CC2CC2)CN(CCn2cncn2)CCO1 1107931822 AZOKMYLFULVBOA-MRXNPFEDSA-N 317.393 -0.101 30 20 DBED C=CCN1CCO[C@@](C)(CNC(=O)CN(C)S(C)(=O)=O)C1 1107979314 CRBGYCNAYWXHFD-ZDUSSCGKSA-N 319.427 -0.729 30 20 DBED CO[C@@H](C(=O)NC[C@]1(C)CN(CC#N)CCO1)c1cnn(C)c1 1108098830 ANZLSSXXUFKVAD-UKRRQHHQSA-N 321.381 -0.162 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)C[C@H]1CCCC(=O)N1 1108209866 DYAUVJHYTKYPJY-GHMZBOCLSA-N 316.365 -0.254 30 20 DBED Cc1cc(CC(=O)N[C@@H](C)CN=c2cc[nH]c(C#N)n2)n(C)n1 1108599975 GAODZPPDYJDTSN-NSHDSACASA-N 313.365 -0.029 30 20 DBED C[C@@H](CN(C)c1ccc(C#N)nc1)NC(=O)CS(C)(=O)=O 1108836818 HOHYOWHDFCMXJE-JTQLQIEISA-N 310.379 -0.061 30 20 DBED CN(CCCN(C)c1ccnc(C#N)n1)C(=O)[C@H]1CCC(=O)N1 1112045374 RHAWGYSSRXQMGK-LLVKDONJSA-N 316.365 -0.088 30 20 DBED C=CCNC(=O)CNC[C@]12CCC[C@H]1CN(C(=O)CC(N)=O)C2 1112287290 BPKLSDWVCSDREF-LRDDRELGSA-N 322.409 -0.618 30 20 DBED CC(=O)NCC(=O)N1C[C@H](C)[C@H](Nc2cnc(C#N)cn2)C1 1112295231 HKTQPASPGXFALI-JOYOIKCWSA-N 302.338 -0.257 30 20 DBED CC(=O)N(C)CC(=O)N1C[C@H](C)[C@H](N=c2cc[nH]c(C#N)n2)C1 1112307386 XUKNTKSIWWEILU-CMPLNLGQSA-N 316.365 -0.493 30 20 DBED CNC(=O)CC(=O)N1C[C@@H]2CCC[C@]2(CNCC#CCOC)C1 1112324252 ANXXKMMTITWSQV-YOEHRIQHSA-N 321.421 -0.009 30 20 DBED CC(=O)NCC(=O)N[C@H]1CCN(c2cncc(C#N)n2)C[C@@H]1C 1112387858 LOMNTNPPYVDCLF-GWCFXTLKSA-N 316.365 -0.185 30 20 DBED C[C@H](C#N)C(=O)N1CCN(CC(=O)NC[C@@H]2CCOC2)CC1 1112711171 SNOBRSCYIMLFDG-OLZOCXBDSA-N 308.382 -0.557 30 20 DBED C#CCNC(=O)CC(=O)N1CCN(Cc2nnc(C)o2)CC1 1112774179 KFGDCZRUTYRCKN-UHFFFAOYSA-N 305.338 -0.838 30 20 DBED C[C@H](CNC(=O)Cn1cncn1)N(C)c1cncc(C#N)n1 1113609471 LPOBPYNRMMVKIL-SNVBAGLBSA-N 300.326 -0.419 30 20 DBED CN(C(=O)CN1C[C@H]2[C@H](NC(=O)CSCC#N)[C@H]2C1)C1CC1 1113890528 BROCAVGBYDRAEW-JYAVWHMHSA-N 322.434 -0.090 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)c3cc(C)[nH]n3)[C@@H]2C1 1113948291 PFYCANYANJJWGA-QJPTWQEYSA-N 315.377 -0.484 30 20 DBED C=CCCC(=O)N[C@H]1[C@@H]2CN(CCCN3C(=O)CNC3=O)C[C@@H]21 1114024520 BBAUTBMBFAVKEO-JYAVWHMHSA-N 320.393 -0.059 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)C3CC(F)(F)C3)[C@H]2C1 1114113813 GQFZMSNSVDLUFT-PJXYFTJBSA-N 311.332 -0.173 30 20 DBED C#CCN1C[C@H]2C(NC(=O)[C@@H](Cn3cccn3)N(C)C)[C@@H]2C1 1114404834 ICPAPSDDOYLINF-MGPQQGTHSA-N 301.394 -0.507 30 20 DBED N#Cc1cccnc1N1C[C@H]2[C@H](CNC(=O)Cn3ncnn3)[C@H]2C1 1114574993 OWVMOSLKNYJRHU-XYYAHUGASA-N 324.348 -0.562 30 20 DBED C=CCOCCN1C[C@H]2C(NC(=O)c3ccc(C(N)=O)[nH]3)[C@@H]2C1 1114839714 FKBUJOKOURVZMO-GHMZBOCLSA-N 318.377 -0.024 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)NCCCN1CCCCC1=O 1117270270 JDECTHOAUSEPHS-UHFFFAOYSA-N 317.389 -0.010 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCC[C@@H]1CCO 1118022786 UOUHERWSWQFIHP-LLVKDONJSA-N 318.395 -0.923 30 20 DBED Cc1nnsc1C(=O)NC[C@@H](CO)Nc1ccc(C#N)nn1 1121057041 YXDQXHBOZSADEI-VIFPVBQESA-N 319.350 -0.289 30 20 DBED Cc1cnn(CC(=O)NC[C@H](CO)Nc2cncc(C#N)n2)c1 1121156910 FXSGCECATLVIBC-GFCCVEGCSA-N 315.337 -0.558 30 20 DBED CCn1nccc1C(=O)NC[C@H](CO)Nc1cncc(C#N)n1 1121378529 XCHZUQJHROVYRU-LLVKDONJSA-N 315.337 -0.233 30 20 DBED C=CCn1c(-c2cn(CCO)nn2)nnc1N1CCO[C@H](C)C1 1121728213 DQPPBVAYHVGHPH-LLVKDONJSA-N 319.369 -0.060 30 20 DBED CCc1nc(C#N)cc(N[C@@H](CO)CNC(=O)c2cnon2)n1 1121882069 NXDLKOUNODRWKA-SECBINFHSA-N 317.309 -0.504 30 20 DBED C[C@H](CC(N)=O)C(=O)NC[C@H](CO)Nc1ccc(C#N)cn1 1122353902 DYTOXSJEMVQSCW-MWLCHTKSSA-N 305.338 -0.646 30 20 DBED Cc1c[nH]c(C(=O)NC[C@H](CO)Nc2nccnc2C#N)n1 1122688084 OXMLRWNRDMIWND-SECBINFHSA-N 301.310 -0.417 30 20 DBED CC(=O)NCC(=O)N1CC[C@@H](Nc2nccnc2C#N)[C@@H]1C 1122904344 RXENPRAETPDQCW-GXSJLCMTSA-N 302.338 -0.114 30 20 DBED CN(C)CCCC(=O)N(C)C[C@H](O)CNc1cncc(C#N)n1 1124683962 VBBUYUZUJLQQED-CYBMUJFWSA-N 320.397 -0.079 30 20 DBED Cc1c[nH]c(C(=O)N(C)C[C@H](O)CNc2cnc(C#N)cn2)n1 1124828979 SOHBOWLBRASQKW-LLVKDONJSA-N 315.337 -0.075 30 20 DBED COC[C@@H](C)C(=O)N(C)C[C@H](O)CN(C)c1nccnc1C#N 1124988151 GOEIUCLCWUMUIC-VXGBXAGGSA-N 321.381 -0.114 30 20 DBED CN(C[C@@H](O)CN(C)c1cnc(C#N)cn1)C(=O)c1cocn1 1124989284 SZLIQCVIMINHNX-NSHDSACASA-N 316.321 -0.094 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)Cc1cc[nH]n1 1125164268 GTJPQIXAJAPVKN-JTQLQIEISA-N 322.369 -0.942 30 20 DBED C[C@H](NC(=O)CC(N)=O)C1CCN(c2ccc(C#N)nn2)CC1 1126724834 UQZLTDVMUJWGPO-JTQLQIEISA-N 316.365 -0.055 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)C(C)C)C[C@@H]1n1ccnn1 1129582701 NOIDOQDCXWIGQC-OLZOCXBDSA-N 318.381 -0.975 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1cc2cccn2cn1 1130141688 GJOCSYYXDYGYHJ-GFCCVEGCSA-N 313.361 -0.208 30 20 DBED CC#CCN[C@@H]1CN(C(=O)CNC(C)=O)C[C@H]1c1cncn1C 1130891639 NINMWPYKUXUTEI-ZIAGYGMSSA-N 317.393 -0.537 30 20 DBED C#CCOCCC(=O)N1C[C@H]2C[C@@H]3CN(CCCO)C[C@]2(C1)O3 1131227382 NMPPQMWQURNSIY-BFYDXBDKSA-N 322.405 -0.290 30 20 DBED C#CCOCCC(=O)N1C[C@@H](C)O[C@]2(CCN(CCO)C2)C1 1131662906 ZEZVWFXQUXTKLM-ZBFHGGJFSA-N 310.394 -0.290 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1occ2c1CCOC2 1131858318 SPTASWHTFIVLBO-UHFFFAOYSA-N 306.322 -0.689 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)CCc2nc(C)no2)C1=O 1132116303 ZPQGWNNTPVVGRD-GFCCVEGCSA-N 321.381 -0.197 30 20 DBED C[C@@H]1CCN(C(=O)c2cc[nH]n2)C[C@@H]1CNCC(=O)NCC#N 1132654979 GFMWOXHYEMVTQC-NEPJUHHUSA-N 318.381 -0.263 30 20 DBED C#CCNC(=O)CNCCNC(=O)Cc1cc(F)ccc1F 1133037710 YZPZAZYXZFTVQO-UHFFFAOYSA-N 309.316 -0.038 30 20 DBED C[C@H](C[C@@H](C)NC(=O)CSCC#N)NCC(=O)NC(N)=O 1133735148 BFLDYXTYXSKLKI-RKDXNWHRSA-N 315.399 -0.689 30 20 DBED C=CCOCC(=O)N[C@@H](C)C[C@H](C)NCC(=O)NC(=O)NC 1133909324 KACSUYWYLCLUGA-QWRGUYRKSA-N 314.386 -0.483 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)c1cc(OC)no1 1134139755 SOJZWRWSXWVZHK-WDEREUQCSA-N 322.365 -0.081 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NCCNCC(=O)NC(C)C 1134816669 GRIFWAQNCIDAFV-ZDUSSCGKSA-N 312.414 -0.312 30 20 DBED C[C@@H](C[C@H](C)NC(=O)c1ccc(S(N)(=O)=O)o1)NCC#N 1134857834 KJEBJMSLFGDRAA-IUCAKERBSA-N 314.367 -0.063 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)c1cccnn1 1135739754 RYWKPVVRUZPNLF-RYUDHWBXSA-N 303.366 -0.288 30 20 DBED Cc1nonc1CC(=O)N[C@H](C)C[C@H](C)NCC(=O)NCC#N 1135820368 AADVRIPVTFJWCR-VHSXEESVSA-N 322.369 -0.567 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC2(CN(C(=O)c3cn[nH]c3)C2)C1 1147035200 VCGKHAKIDSGWRV-GFCCVEGCSA-N 315.377 -0.305 30 20 DBED COCC#CCN1CCC2(C1)CN(C(=O)c1cc(=O)n(C)o1)C2 1147416172 JHWPQSRNRAFQSF-UHFFFAOYSA-N 319.361 -0.224 30 20 DBED C#CCNC(=O)CNCCNC(=O)C1CC2(CCOCC2)C1 1147726535 YPHUKJBYNHJRPQ-UHFFFAOYSA-N 307.394 -0.352 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(Cc2nnnn2C)CCCO1 1149641166 ZMUJMCGVSXZWAU-CYBMUJFWSA-N 320.397 -0.279 30 20 DBED C#CCOCCC(=O)NC[C@H]1CN(CC#CCOC)CCCO1 1149721202 JUMGSWUESYZZNG-INIZCTEOSA-N 322.405 -0.117 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1cn2ccccc2n1 1149897324 KLXGWHQGARXUMU-LBPRGKRZSA-N 313.361 -0.208 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)CNC(=O)C(C)(C)C)C1=O 1150844714 NXLKSXOWBXODBP-GFCCVEGCSA-N 324.425 -0.359 30 20 DBED C=CCOCC(=O)NC[C@@H](C)N(CC)CC(=O)NC(N)=O 1152370524 JZTPUNOCDGXFMU-SNVBAGLBSA-N 300.359 -0.790 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)CCn1cc(C)cn1 1152376761 LXHLEULWJACUOY-ZDUSSCGKSA-N 307.398 -0.022 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1cc(C2CC2)nn1C 1159121727 RKVCWYFXWCKILT-UHFFFAOYSA-N 317.393 -0.244 30 20 DBED CNC(=O)NCC(=O)N[C@@H](C)CCCCNCC#CCOC 1171119987 LHVHTOIPNLBIFP-ZDUSSCGKSA-N 312.414 -0.170 30 20 DBED C#Cc1ccccc1CC(=O)NCCCNCC(=O)NCC#N 1174674017 JFAIAFDIIVWBKP-UHFFFAOYSA-N 312.373 -0.054 30 20 DBED C#CCNC(=O)CNCCCNC(=O)Cn1c(C)csc1=O 1175859130 UZXQDEKPWSAJNE-UHFFFAOYSA-N 324.406 -0.936 30 20 DBED C=CCO[C@@H](C)C(=O)NCCCN[C@H](C)C(=O)NC(=O)NC 1177277102 MCTFNVHGTDSFHJ-MNOVXSKESA-N 314.386 -0.483 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)Cc2cc[nH]n2)[C@H]1C 1178400698 BTDWGYWKLPPZMQ-AAEUAGOBSA-N 303.366 -0.719 30 20 DBED C=CCNC(=O)[C@H](C)NC[C@]1(C)CN(C(=O)CC(N)=O)C[C@H]1C 1180960414 MAPXEYKDIMPFPJ-BFQNTYOBSA-N 324.425 -0.373 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)[C@H]2CCCCC(=O)N2)C1 1185601187 ZNLBAFYZHXHBDL-ZIAGYGMSSA-N 307.394 -0.115 30 20 DBED C#CCNC[C@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C[C@H]1C 1185750546 JZGLANHFNOLAOB-VXGBXAGGSA-N 318.381 -0.916 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2cc(C3CC3)[nH]n2)C1 1185842232 VWZOYEXWQWDNMZ-GFCCVEGCSA-N 315.377 -0.159 30 20 DBED N#CCN[C@@H]1CCO[C@H](C2CCN(C(=O)CNC(N)=O)CC2)C1 1186053609 XHHYUKNZKBAWSF-OLZOCXBDSA-N 323.397 -0.446 30 20 DBED C=CCNC[C@@H]1CN(C(=O)Cn2cnnn2)CC12CCOCC2 1186245022 FAYVGHZSESQELN-CYBMUJFWSA-N 320.397 -0.296 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@@H]1CCN(C(=O)c2cnns2)C1 1189066801 HOSQZLVSFBIMTB-GHMZBOCLSA-N 321.406 -0.178 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(C)C2)C1 1190445728 ZWRZWBZZRPQEED-CHWSQXEVSA-N 322.409 -0.700 30 20 DBED C=CCNC(=O)[C@@H](C)N(C)[C@H]1CCN(C(=O)C(C)(C)C(N)=O)C1 1190776208 NGNVCAYWWOXWOR-NEPJUHHUSA-N 324.425 -0.279 30 20 DBED CC(C)CNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)C#CC2CC2)C1 1192861736 FXQGDZOHEGIHLY-NWANDNLSSA-N 321.421 -0.278 30 20 DBED CN(CC(=O)NCC#N)[C@H]1CCN(C(=O)c2nccs2)C1 1192999071 QIYJJTZZHXNMGW-JTQLQIEISA-N 307.379 -0.071 30 20 DBED CCCc1cc(C(=O)N[C@@H]2CN(CC#CCOC)C[C@H]2O)n[nH]1 1195182356 UULSGHPOJYQPAP-HUUCEWRRSA-N 320.393 -0.213 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@@H]3C[C@@H]3C2)C1 1195525935 RJTPNCAWNOSEJW-BBZRCZKMSA-N 321.421 -0.116 30 20 DBED COCC#CCN1CCCN(C(=O)[C@H]2CCCNC2=O)CC1 1196215353 CIJAPXDAKOZMQO-AWEZNQCLSA-N 307.394 -0.303 30 20 DBED CCN1CCOC[C@@H]1C(=O)N1CCCN(CC#CCOC)CC1 1196366573 MOSGYAJMHCIYGY-MRXNPFEDSA-N 323.437 -0.109 30 20 DBED C=CCCN1CCCN(C(=O)CNC(=O)Cn2cncn2)CC1 1198236264 GQXZDUCDZCDJJP-UHFFFAOYSA-N 320.397 -0.495 30 20 DBED N#CCNC(=O)CNC1CCN(C(=O)c2cnsn2)CC1 1199478654 ZCFDEZKKWBHJDY-UHFFFAOYSA-N 308.367 -0.628 30 20 DBED CC(C)=CC(=O)N1CCCO[C@@H](CNCC(=O)NCC#N)C1 1199778682 ANEKTNXIAOAEDL-ZDUSSCGKSA-N 308.382 -0.201 30 20 DBED CC#CCNC[C@H]1CN(C(=O)C2(C(=O)NC)CC2)CCCO1 1201648316 HOEKWYNQMUCWGQ-ZDUSSCGKSA-N 307.394 -0.257 30 20 DBED COCC[C@@H](C)C(=O)N1CCC(NCC(=O)NCC#N)CC1 1203780802 IPZYEBMCIBDDIB-GFCCVEGCSA-N 310.398 -0.121 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC[C@H](NCc2nnnn2C)C1 1208017253 AYKURMAWQPFYQU-RYUDHWBXSA-N 306.370 -0.671 30 20 DBED C#CCOCCC(=O)N1CCC[C@@H](NCCS(C)(=O)=O)C1 1208031729 CSIHHPMDIWMSAC-CYBMUJFWSA-N 316.423 -0.349 30 20 DBED COCC#CCN[C@@H]1CCCN(C(=O)C[C@@H]2CCC(=O)N2)C1 1210080687 SGBLMAHWIPMHFR-UONOGXRCSA-N 307.394 -0.115 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)C(=O)NCC2CC2)C1 1210378825 VTZNZGBPMSDQKS-ZDUSSCGKSA-N 322.409 -0.605 30 20 DBED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)[C@@H]1CC1(F)F 1212218685 DYYTXQHTCHIELE-IVZWLZJFSA-N 316.308 -0.903 30 20 DBED C=C(C)CN[C@@H]1CN(C(=O)CNC(=O)CNC(C)=O)C[C@H]1C 1214988112 JVJIECXDFCUFLV-DGCLKSJQSA-N 310.398 -0.749 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@]2(C)CNC(=O)C2)C[C@H]1C 1215202005 JLKOJBRRGDFODR-HSMVNMDESA-N 322.409 -0.749 30 20 DBED CC(C)OCCN1C[C@H](O)[C@H](NC(=O)CSCC#N)C1 1219218823 ZETLOEJXXOAVRQ-NEPJUHHUSA-N 301.412 -0.171 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H](CC)OCC)C1 1219302693 SOEUEGFGOYMUDE-FRRDWIJNSA-N 313.398 -0.735 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H](C)CSC)C1 1219365971 MZUZZGXFTLMXFZ-TUAOUCFPSA-N 315.439 -0.551 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2ccnn2C)C[C@@H]1O 1219605639 YIKXEPHHBRCMEX-YUTCNCBUSA-N 306.366 -0.880 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)c2ccsn2)C1 1219860804 UIVKOBRIDWVXBE-WCQGTBRESA-N 322.390 -0.944 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)[C@H](C)S(C)(=O)=O)C1 1219886667 MEGAVIJBEAWIAC-AEJSXWLSSA-N 310.803 -0.667 30 20 DBED C=CCNC(=O)[C@H](C)N1CC[C@@H]2CN(C(=O)CC(N)=O)[C@@H]2C1 1221458359 CSDHMNGAIHCLPI-QJPTWQEYSA-N 308.382 -0.915 30 20 DBED CC(C)C#CC(=O)N1C[C@H]2CCN([C@H](C)C(=O)NC(N)=O)C[C@H]21 1221530318 FZTANUOIIJQVKE-JHJVBQTASA-N 320.393 -0.238 30 20 DBED COCC#CCN1CCC(NC(=O)CCc2cnn(C)n2)CC1 1229224206 SFFUOGNERRPGAB-UHFFFAOYSA-N 319.409 -0.022 30 20 DBED COCCCC(=O)NCC[C@@H]1CN(CC#N)CCS1(=O)=O 1230425573 NYLCDCQFIPCMJN-GFCCVEGCSA-N 317.411 -0.458 30 20 DBED Cc1cc(C(=O)N(C)C[C@H]2CCN2CC(=O)NCC#N)n(C)n1 1230907146 JRUCULRFBVURDC-GFCCVEGCSA-N 318.381 -0.485 30 20 DBED C#CCOCCC(=O)N(C)C[C@H]1CCN1Cc1nncn1C 1234254854 FLWXALKYAATBFI-CYBMUJFWSA-N 305.382 -0.112 30 20 DBED C=CCOCC(=O)NCCCN(C)[C@H](C)C(=O)NC(N)=O 1235697700 DYVFSBOBUNTGOE-SNVBAGLBSA-N 300.359 -0.790 30 20 DBED COC[C@H]1C[C@@H](O)CN1C(=O)C(=O)N1CCC[C@](C)(C#N)C1 1261522193 OWLRFRVOQSQXAB-LALPHHSUSA-N 309.366 -0.253 30 20 DBED C#CCNC(=O)C1CCN(C(=O)NC[C@@H]2COCCN2)CC1 1261819131 QVHOQJNJVNJITO-CYBMUJFWSA-N 308.382 -0.854 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)[C@@H]2CCCCN2C)C1 1267747490 WJAHOAKQQFGGCG-KGLIPLIRSA-N 306.410 -0.589 30 20 DBED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCCO 1320224410 QPQQFCVOVLJTRZ-UHFFFAOYSA-N 314.305 -0.506 30 20 DBED CO[C@@H]1CCN(C(=O)C(=O)NCCNc2ncccc2C#N)C1 1321742357 SVVHCDOUNIVSRO-GFCCVEGCSA-N 317.349 -0.271 30 20 DBED N#CC1(NC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 1321995432 OYOAWAXOSYCHGB-NXEZZACHSA-N 311.363 -0.806 30 20 DBED C=CC[C@H](NC(=O)[C@@H](C)NS(=O)(=O)CC)C(=O)OCC 1328350779 UACCMPSCRPPFSS-ZJUUUORDSA-N 306.384 -0.062 30 20 DBED CC(C)[C@H]1CN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)CCO1 1329451815 DAUBCSKEDLEJKB-IUODEOHRSA-N 309.366 -0.253 30 20 DBED C#CC1CCN(C(=O)C(=O)NC[C@@H]2CCS(=O)(=O)C2)CC1 1332193201 GOWOCODCYNZTGA-LBPRGKRZSA-N 312.391 -0.591 30 20 DBED C#CC[C@H](CCOC)NC(=O)N1CCC(S(N)(=O)=O)CC1 1332913893 MMWLALTUUFQZPU-LLVKDONJSA-N 317.411 -0.123 30 20 DBED C[C@@H]1CN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)C[C@@H](C)N1 1335585239 PRYBDSWOSUPTKM-YRGRVCCFSA-N 319.409 -0.606 30 20 DBED CC(C)OCC(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1 1343337083 WLDWWDUIOHAPJS-SNVBAGLBSA-N 302.352 -0.623 30 20 DBED CN(C(=O)C(=O)NCc1cccc(C#N)c1)[C@@H]1CCNC1=O 1345005401 JJDVCWKQUAFUTK-GFCCVEGCSA-N 300.318 -0.479 30 20 DBED C=C[C@@H]1CCCCN1C(=O)C(=O)NCCN1C(=O)CCC1=O 1346314738 GLWPXOJCNBNICH-LLVKDONJSA-N 307.350 -0.181 30 20 DBED C#CCOCCNC(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C 1346545258 ZFGJHSBFHPMAGO-ZDUSSCGKSA-N 309.410 -0.011 30 20 DBED CC1(C)CN(C(=O)Cn2cc(C#N)c(O)nc2=O)CCCO1 1362101592 JBDOKZKIBFTQKC-UHFFFAOYSA-N 306.322 -0.152 30 20 DBED N#Cc1cn(CCNC(=O)c2cnn(C(F)F)c2)c(=O)nc1O 1363284346 CBIXRWGEUJCIKH-UHFFFAOYSA-N 324.247 -0.158 30 20 DBED N#Cc1cn(CCNC(=O)NC[C@H]2CCSC2)c(=O)nc1O 1369744969 WFCKRHAIPWFPNF-SECBINFHSA-N 323.378 -0.127 30 20 DBED CNC(=O)NCCC(=O)NC[C@@H](NC(=O)[C@H](C)C#N)C1CC1 1385709789 MDKWPSOWBCJLDF-MWLCHTKSSA-N 309.370 -0.524 30 20 DBED Cn1ccc(C(=O)NC[C@@H](O)CNC(=O)c2cc(C#N)c[nH]2)c1 1389087492 RTIYMUVBDGFFKK-GFCCVEGCSA-N 315.333 -0.254 30 20 DBED CN1CCC[C@@H]1C(=O)NC[C@@H](O)CNC(=O)c1cc(C#N)c[nH]1 1399816062 GPDFRIGDWRHGRZ-WCQYABFASA-N 319.365 -0.813 30 20 DBED N#Cc1cccc(CNC[C@@H](O)CNC(=O)[C@H]2COCCO2)c1 1406192710 QWEBJZXKKMXOFL-HUUCEWRRSA-N 319.361 -0.460 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CCN(C(=O)CN2CCCC2=O)C1 1408366883 LXCIHWBGVRSLQU-NWDGAFQWSA-N 306.366 -0.267 30 20 DBED Cc1cc(C)n(CC(=O)N(C)C[C@@H](O)CNC(=O)[C@@H](C)C#N)n1 1413300707 SPIKVQYFAJGTKX-GWCFXTLKSA-N 321.381 -0.405 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H]1CC[C@H](C(N)=O)C1 1413369482 JNDAKUWSGMHMHW-OUAUKWLOSA-N 302.400 -0.044 30 20 DBED CC1=C(C(=O)NCC2(C#N)CCOCC2)Cn2nnnc2N1C 1413785498 JPLSTQCHXRRITE-UHFFFAOYSA-N 317.353 -0.167 30 20 DBED N#Cc1cccc(CC(=O)N2C[C@@H](C(N)=O)[C@H](C(N)=O)C2)c1 1418585630 GKCVEAJBDVMHNJ-VXGBXAGGSA-N 300.318 -0.854 30 20 DBED CNS(=O)(=O)[C@@H]1CCCN(S(=O)(=O)CC(C)(C)C#N)C1 1423693973 IVJVFYOQPRBKRI-SNVBAGLBSA-N 323.440 -0.120 30 20 DBED Cc1cc(C(=O)N(C)C[C@@H](O)CNC(=O)[C@H](C)C#N)n(C)n1 1425772076 PMALJLMVLFIYIU-KOLCDFICSA-N 307.354 -0.563 30 20 DBED CC(=O)N1CC[C@](C)(C(=O)NCC2CN(C(=O)[C@H](C)C#N)C2)C1 1432479256 LGEDYUQRRBXJKQ-BZNIZROVSA-N 320.393 -0.021 30 20 DBED CO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1NC(=O)CC1(O)CCC1 1445610027 LIJKZHFHBKOXAA-IJLUTSLNSA-N 309.366 -0.207 30 20 DBED Cn1c(=O)[nH]c(NC[C@H]2CN3CCC[C@@H]3CO2)c(C#N)c1=O 1472677094 GONFWBVIUWVWLS-ZJUUUORDSA-N 305.338 -0.780 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2cncc(OC)n2)C1 1479965846 PZWQMKXMHBBCOD-GFCCVEGCSA-N 304.350 -0.061 30 20 DBED COCC#CCN1CCC[C@@H](NC(=O)c2c[nH]c(C(N)=O)c2)C1 1481530595 JKAOKHUBYRNKPK-CYBMUJFWSA-N 318.377 -0.042 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@@H](CNC(=O)c2ccc(O)nn2)C1 1489798453 ZFWVCNAYNSSILW-BBBLOLIVSA-N 303.322 -0.034 30 20 DBED CO[C@@H](C)c1noc(CN2CC(O)(CNC(=O)[C@H](C)C#N)C2)n1 1500805955 BUDNHHAUSZGSIM-ZJUUUORDSA-N 323.353 -0.400 30 20 DBED C=CCNC(=O)[C@@H](C)OC(=O)[C@]1(OC)CCS(=O)(=O)C1 1514885782 RGVCPHFSBMOSCU-SKDRFNHKSA-N 305.352 -0.576 30 20 DBED CCN(CCNC(=O)[C@H](C)C#N)C(=O)C(C)(C)S(C)(=O)=O 1529070144 UJAJPWVXTKETIB-SNVBAGLBSA-N 317.411 -0.066 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@H](N)C2(C)C)CC1 1574707391 RDUFPCOFHGQUDT-STQMWFEESA-N 306.410 -0.747 30 20 DBED C=CCN(C)c1nnc([C@H]2COCCN2)n1Cc1nncn1C 1574925045 GHZBHSDXBGKMAS-LLVKDONJSA-N 318.385 -0.262 30 20 DBED C[C@H](C(=O)NCc1cnn[nH]1)N(C)CCNC(=O)C#CC1CC1 1575209507 FFCPBKOFJFKJTA-LLVKDONJSA-N 318.381 -0.729 30 20 DBED N#Cc1ncn(CCNC(=O)N2CCC3(CC2)CNCCO3)n1 1580084081 BOLDSLVZVNOONU-UHFFFAOYSA-N 319.369 -0.686 30 20 DBED C=CCCOCCNC(=O)C(=O)N1CCO[C@@H](C(=O)O)C1 1588460532 NQZBKXLNUKZQNK-SNVBAGLBSA-N 300.311 -0.993 30 20 DBED C=CCCC(=O)NC[C@@H](O)CNc1nccnc1-c1nn[nH]n1 1588570365 KXJOHKBLAMQCDH-SECBINFHSA-N 318.341 -0.488 30 20 DBED N#C[C@H]1CSCCN1Cn1cccc(-c2nn[nH]n2)c1=O 1592671891 RFOFULDZDBKEHN-VIFPVBQESA-N 303.351 -0.073 30 20 DBED CCOC[C@@H](C(=O)O)N(C)S(=O)(=O)N(CC)CCC#N 1596884740 QCTKHAJANOESGZ-JTQLQIEISA-N 307.372 -0.112 30 20 DBED Cn1c(N2CCC[C@@](C)(C(=O)O)C2)c(C#N)c(=O)n(C)c1=O 1600920132 IVNOCBSKWRDDPJ-CQSZACIVSA-N 306.322 -0.353 30 20 DBED N#Cc1ccc(N2CCN([C@]3(C(=O)O)CCOC3)CC2)nc1N 1601105824 FXECQZKPUQNBPT-OAHLLOKOSA-N 317.349 -0.099 30 20 DBED N#Cc1ccc(NC(=O)C(=O)N2C[C@@H](C(=O)O)C[C@@H](O)C2)cc1 1601106870 IAQLLQWPXBSZFI-CMPLNLGQSA-N 317.301 -0.209 30 20 DBED CNC(=O)[C@@H]1CN(c2nnc(C(C)(C)CC#N)n2C)CCO1 1647681058 YSSDBTDVHROWAD-JTQLQIEISA-N 306.370 -0.042 30 20 DBED Cn1nnc(Cn2c(C3CC3)nnc2N2CCO[C@H](C#N)C2)n1 1748069762 YPCCFEHXKKJAOA-SNVBAGLBSA-N 315.341 -0.544 30 20 DBED COCC#CCN(C)CCCNC(=O)[C@@]1(C)CCNC(=O)C1 1751997877 PAIASPNTXCKGRO-INIZCTEOSA-N 309.410 -0.009 30 20 DBED C#CCNC(=O)CNC1CCC(NC(=O)[C@@H]2COCCO2)CC1 1752847457 QKNYAMWHUFVCLF-RUXDESIVSA-N 323.393 -0.832 30 20 DBED CCn1nccc1C(=O)N1CC[C@H](CNCC(=O)NCC#N)C1 1752934747 NTRQCMXCKSMAGK-GFCCVEGCSA-N 318.381 -0.406 30 20 DBED C#CCNC(=O)CNC[C@@H]1CCN(C(=O)Cc2cncn2C)C1 1752959944 ZXHQKBQQEOZNPN-ZDUSSCGKSA-N 317.393 -0.850 30 20 DBED C#Cc1ccc(C(=O)N(C)[C@H](C)CNCC(=O)NC(N)=O)cc1 1753706507 GLAUNORMYOIJRN-LLVKDONJSA-N 316.361 -0.087 30 20 DBED CCCn1nccc1C(=O)N[C@@H](C)CN(C)CC(=O)NCC#N 1754311051 OCEKEHDBTWMURR-LBPRGKRZSA-N 320.397 -0.017 30 20 DBED CC(C)CC(=O)N1CCOC2(CN(CC(=O)NCC#N)C2)C1 1755048537 ZNULADMHOZPKKP-UHFFFAOYSA-N 308.382 -0.415 30 20 DBED COc1ccnc(C(=O)N[C@@H](C)[C@H](C)NCC(=O)NCC#N)c1 1755248598 KIFOJRDCVBAGEZ-QWRGUYRKSA-N 319.365 -0.174 30 20 DBED C=CCN1C[C@@H](NC(=O)CC[C@H]2NC(=O)NC2=O)C(C)(C)C1 1755416270 QGROZEQLJGSHLA-GHMZBOCLSA-N 308.382 -0.013 30 20 DBED Cc1cc(C(=O)N[C@H](CO)CNC(=O)CSCC#N)ncn1 1756503648 LVDFGGJUNSXHNE-JTQLQIEISA-N 323.378 -0.751 30 20 DBED C#Cc1ccc(C(=O)N[C@@H](CO)CNC(=O)[C@@H](C)COC)cn1 1756520444 WURLOWJSCLRYLG-SMDDNHRTSA-N 319.361 -0.448 30 20 DBED C[C@@H](CN1CCOCC1)N(C)c1[nH]c(=O)n(C)c(=O)c1C#N 1772117660 QFAFLWWFFILVAO-JTQLQIEISA-N 307.354 -0.898 30 20 DBED C=CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)CNC(N)=O)C1 1847105896 RUSHOFAOYLVAFO-LLVKDONJSA-N 324.381 -0.551 30 20 DBED CCC[C@@H](C#N)NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 40363985 HGXKZZBTDNFUPV-QMMMGPOBSA-N 300.340 -0.945 30 20 DBED CCN(CCC#N)C(=O)CN1CCC[C@H](NS(C)(=O)=O)C1 52672195 LFMWHLMKEOFQLS-LBPRGKRZSA-N 316.427 -0.238 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)c2cnc(C)cn2)CC1 54482907 PVPRKGRYAAMXDO-UHFFFAOYSA-N 303.366 -0.155 30 20 DBED C[C@H](CC#N)NS(=O)(=O)c1cccc(S(N)(=O)=O)c1 64345101 REAYSTPNRAWFDL-MRVPVSSYSA-N 303.365 -0.086 30 20 DBED C#CCOc1ccc(F)cc1NC(=O)C(=O)NC[C@@H](O)COC 266650304 NDBJDVSBPFYNKG-LLVKDONJSA-N 324.308 -0.100 30 20 DBED C=CCNC(=O)CN1C[C@@H](C)N(CC(=O)NCC=C)C[C@@H]1C 269676415 WPLDLFUQIJXRAG-OKILXGFUSA-N 308.426 -0.015 30 20 DBED C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCCN1CCNC(=O)C1 281686793 BGEFWQJXOABVPS-GXTWGEPZSA-N 310.398 -0.301 30 20 DBED O=C(NCC#CCO)[C@H]1CCCN1S(=O)(=O)c1ccccc1 283745067 PLYBYWQDOMJNET-CQSZACIVSA-N 322.386 -0.048 30 20 DBED COCCN(C)CCCNC(=O)NCCn1cnc(C#N)n1 286769938 SSMSJHVSRABTFO-UHFFFAOYSA-N 309.374 -0.583 30 20 DBED CN(CCOCCO)CCS(=O)(=O)c1ccc(C#N)cn1 289390791 JZNUNOVZOZSOIJ-UHFFFAOYSA-N 313.379 -0.332 30 20 DBED C=CCN(CCC#N)C(=O)CNS(=O)(=O)c1cn(C)cn1 292537913 VJOACMXCOPFEKO-UHFFFAOYSA-N 311.367 -0.373 30 20 DBED CCN1CCN(C/C(O)=N/Cc2nncn2C2CC2)C(=O)C1=O 329195174 VCOVRTAOZCKIHO-UHFFFAOYSA-N 320.353 -0.240 30 20 DBED O=C(C/N=C(/O)N[C@@H]1CC(=O)N(C2CC2)C1)N1CCOCC1 329253135 YXTWZJNZBOBZGW-SNVBAGLBSA-N 310.354 -0.888 30 20 DBED CS(=O)(=O)N1CCC[C@H](/N=C(/O)N[C@@H]2[C@H]3COC[C@H]32)C1 329946200 GFUQHWAVSUBIKW-UKKRHICBSA-N 303.384 -0.441 30 20 DBED CC/N=C(/O)N1CC[C@H](NS(=O)(=O)c2cnnn2C)C1 330069345 WFNVBOQPQUPJBZ-QMMMGPOBSA-N 302.360 -0.898 30 20 DBED COC(=O)[C@@H]1CN(C(=O)Nc2cc(C)n(CCC#N)n2)CCO1 330612742 RHRVUZMVDXTIBX-NSHDSACASA-N 321.337 0.511 30 20 DBED C=CCNC(=O)CNC(=O)N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 346832046 NPXDIFFITFFFBK-VHSXEESVSA-N 305.400 -0.248 30 20 DBED CC1(C)C[C@@]1(C#N)NS(=O)(=O)CCCCS(N)(=O)=O 349603980 PDTONHKCWOCVBH-JTQLQIEISA-N 309.413 -0.333 30 20 DBED COc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H](O)CN(C)C 352936616 OJGRLXZXCHWPNG-NSHDSACASA-N 320.349 -0.456 30 20 DBED N#Cc1ccnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)c1[N+](=O)[O-] 354379679 GYPKGYWCXLAIBO-VIFPVBQESA-N 316.277 -0.992 30 20 DBED C=CCNC(=O)NC(=O)CN1CC[C@H](NC(=O)NC2CC2)C1 355118894 CDDBTSURKNOOFX-NSHDSACASA-N 309.370 -0.466 30 20 DBED COc1cccc(NC(=O)C(=O)NCCn2cnc(C#N)n2)c1 357134194 WBSAEJUPJAYXCW-UHFFFAOYSA-N 314.305 -0.087 30 20 DBED COC(=O)[C@H]1CCN(C(=O)NCCn2cnc(C#N)n2)[C@@H]1C 357853136 AIHFIUKXWHBKHY-ZJUUUORDSA-N 306.326 -0.257 30 20 DBED Cn1ncnc1S(=O)(=O)CC(=O)NCc1cccc(C#N)c1 358545030 KUBYDRSDLBYSGB-UHFFFAOYSA-N 319.346 -0.223 30 20 DBED N#CCCC[C@H](N)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 424164540 ZOXQDRWHEUHWIS-AWEZNQCLSA-N 321.425 -0.226 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N[C@@H]1CCC(=O)N(C)C1=O 425230021 UKQYLBLNZAQIFL-DTWKUNHWSA-N 302.356 -0.940 30 20 DBED CC[C@@H]1CN(CC)CCN1S(=O)(=O)N1CCO[C@H](C#N)C1 451937754 VSGPUBIQKOKMGC-CHWSQXEVSA-N 316.427 -0.128 30 20 DBED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)C(=O)O)cc1 490831049 QFUIGRQMWYGDSH-SECBINFHSA-N 310.331 -0.199 30 20 DBED C#CCNC(=O)CN1CCN(Cc2ccc(C(=O)OC)o2)CC1 491165818 NIKQCXVBFNJSSX-UHFFFAOYSA-N 319.361 -0.067 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2c(F)ccnc2F)CC1 491657850 KYBUYSGHKPDOIM-UHFFFAOYSA-N 322.315 -0.133 30 20 DBED C=C[C@@H]1CCCCN1C(=O)C(=O)NCC(=O)N1CCNCC1 567097676 IMIWHNKHBRZUKG-GFCCVEGCSA-N 308.382 -0.899 30 20 DBED Cc1cc(S(=O)(=O)N[C@]2(C(N)=O)CCOC2)ccc1C#N 567366534 BJSFNLQELDGWKN-CYBMUJFWSA-N 309.347 -0.211 30 20 DBED CN(CCC#N)C(=O)CCN1[C@H]2C[C@H]3[C@H]([C@@H]2O)[C@@H]2C[C@H]3[C@H](O)[C@@H]21 582549541 FGNSNJYFPIWANF-QLIYMYOWSA-N 319.405 -0.191 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)CNC(=O)NCc2ccco2)C1 592842649 IXDHPQRHTQZBNO-CQSZACIVSA-N 306.322 -0.044 30 20 DBED N#C[C@H]1CN(S(=O)(=O)N(CC(=O)O)C2CCC2)CCO1 593945807 XCLMVNMNQBEBQT-JTQLQIEISA-N 303.340 -0.605 30 20 DBED CC(=O)N1CCN(C(=O)CCNc2ccc(C#N)nn2)CC1 611153095 SZAIDIKGLSAAFS-UHFFFAOYSA-N 302.338 -0.159 30 20 DBED Cn1c(=O)n(CC(=O)N2CC(O)(CC#N)C2)c2ccccc21 619444070 HRNGRENMKXEIBL-UHFFFAOYSA-N 300.318 -0.173 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCNC[C@H]2C(C)C)C1=O 638486090 BUKSRVSVOUXMJX-NSHDSACASA-N 322.365 -0.580 30 20 DBED C#CCNC(=O)COC(=O)CN1CCN(c2ccccn2)CC1 741037810 OJCLCRQDHZEXHD-UHFFFAOYSA-N 316.361 -0.504 30 20 DBED O=C1N=C(NN=Cc2cc(Cl)cc([N+](=O)[O-])c2O)NC1=O 765591619 POHQKQSDIRSVPT-UHFFFAOYSA-N 311.641 -0.110 30 20 DBED C=CCCC(=O)OCC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1 778114810 OMRCIUROBULLHE-VIFPVBQESA-N 318.351 -0.491 30 20 DBED Cn1cnnc1NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 779417197 PZHSDLFBCLQKQR-UHFFFAOYSA-N 320.334 -0.508 30 20 DBED C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N1C[C@H](O)[C@H](O)C1 784909667 AUHKHJGDLKFMEM-ZMLRMANQSA-N 319.317 -0.520 30 20 DBED C#C[C@@H](NC(=O)C(=O)N(C)CCNC(=O)N(C)C)[C@H]1CCCO1 809312248 LKJHJMWHHHCGLY-VXGBXAGGSA-N 324.381 -0.987 30 20 DBED N#Cc1ccc([C@@H](O)CN2CCNC(=O)[C@@H]2CC(=O)O)cc1 833072917 SNHYXPBBOBLPRA-STQMWFEESA-N 303.318 -0.133 30 20 DBED C#CCNS(=O)(=O)CCCS(=O)(=O)Nc1nonc1C 848966958 JLEFYYLBHQOYRO-UHFFFAOYSA-N 322.368 -0.938 30 20 DBED N#CCCN1CCN(C(=O)C(=O)N2CCn3cccc3C2)CC1 910768485 YNXBPUPPKZMURS-UHFFFAOYSA-N 315.377 -0.112 30 20 DBED C#CC[C@H](CO)NC(=O)NCCN1C(=O)c2ccccc2C1=O 914330196 MZNUXHZCNADJGU-LLVKDONJSA-N 315.329 -0.034 30 20 DBED CN(CCCNC(=O)CN1CCC[C@@H](C#N)C1)S(C)(=O)=O 932157446 ZMSQFYOQHJVRQL-LBPRGKRZSA-N 316.427 -0.380 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2CCCCN2C(=O)C(N)=O)nc1 937466034 JVEDCHUGQCYEDB-LBPRGKRZSA-N 314.345 -0.341 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCN(CC(=O)N2CCC2)CC1 948831921 GJCXXJPZUXQXCP-HNNXBMFYSA-N 318.421 -0.540 30 20 DBED C[C@]1(C(=O)N2CCOC3(CCN(CC#N)CC3)C2)CCNC1=O 949189100 HLTVFTAXGJMBDC-HNNXBMFYSA-N 320.393 -0.270 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CCC[C@H](C1)N2C(=O)[C@H]1CNC(=O)N1 952785642 ONOWTBCNOLPAOO-NNYUYHANSA-N 319.365 -0.581 30 20 DBED C[C@H](C#N)C(=O)N1CC(N(C)C(=O)[C@@H](C)N2C(=O)CCC2=O)C1 954490180 LQGYGDKPPNGUPE-NXEZZACHSA-N 320.349 -0.647 30 20 DBED CC#CCN1C[C@H](O)[C@H](CNC(=O)c2cn3c(n2)CCC3)C1 958081484 OZBRQJDNEGJXAW-OCCSQVGLSA-N 302.378 -0.125 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@@H](CNC(=O)c2cn(C)c(O)n2)C1 958378187 HSCNTUIWMBDABX-GXSJLCMTSA-N 314.773 -0.099 30 20 DBED Cn1cnc2ccc(C(=O)NC[C@H]3CN(CC#N)C[C@@H]3O)nc21 958403435 FJOVZRRKILCXCG-GWCFXTLKSA-N 314.349 -0.486 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2CN(CC#CC)C[C@@H]2O)nn1 958472845 ZCBMAHRLTVUKFT-JSGCOSHPSA-N 303.366 -0.490 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cnc3n[nH]c(C)c3c2)C1 958672221 KDLMUNCMRQQBQP-GXTWGEPZSA-N 313.361 -0.078 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2cnc(OCC)cn2)C1 958761989 CQZVLVDFQFSCPO-YPMHNXCESA-N 304.350 -0.469 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(C[C@@H](NC(=O)c3cnnn3C)CO2)C1 965684399 WUQMBHKHBKGQIS-VHSXEESVSA-N 318.337 -0.926 30 20 DBED O=C(N[C@H]1COC2(C1)CN(C(=O)C#CC1CC1)C2)c1cnon1 965793284 WFXUPRJJORPNNS-LLVKDONJSA-N 316.317 -0.417 30 20 DBED C#CCOc1ncccc1C(=O)N[C@@H]1CN(C(=O)CC)C[C@@H]1O 969331924 MGUGUDQDZJVNSF-OLZOCXBDSA-N 317.345 -0.195 30 20 DBED C#CCN[C@@H]1CCN(C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 969425815 IADGFRCEBFBAAN-OAGGEKHMSA-N 321.421 -0.310 30 20 DBED C=C[C@](C)(CC)C(=O)N1C[C@H](O)[C@H](NC(=O)c2nc[nH]n2)C1 969743107 MPEYJUILYAFTCW-ISTVAULSSA-N 307.354 -0.292 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@H]2CC(=O)N(CCOC)C2)C(C)(C)C1 974646791 WVZHLXDNWHJDTN-UONOGXRCSA-N 321.421 -0.059 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)c3cccn(C)c3=O)[C@H]2C1 976911703 IHUIWRMULGLUNX-XEZLXBQYSA-N 314.345 -0.268 30 20 DBED CN(C[C@H]1CCN1C(=O)C#CC1CC1)C(=O)[C@H]1CCCNC1=O 977868101 ZAYOAROTSOIKPP-KGLIPLIRSA-N 317.389 -0.015 30 20 DBED N#CCN1C[C@H]2[C@H](CNC(=O)[C@H]3CCc4nnc(O)n4C3)[C@H]2C1 978410430 POVHGCHEJYXAPS-FIQHERPVSA-N 316.365 -0.636 30 20 DBED C=CCCN1C[C@H]2[C@H](CNC(=O)c3nnc(O)nc3O)[C@H]2C1 978411263 JUFSUMLTWLIOKS-OWUUHHOZSA-N 305.338 -0.234 30 20 DBED CC#CCN1C[C@@H]2CC[C@H](NC(=O)Cn3ncnn3)C[C@H]2C1 979708973 GCLDXTXHLHSJCQ-IHRRRGAJSA-N 302.382 -0.087 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H](NC(=O)C(N)=O)[C@H]2CC)nn1 985370744 APPJPUNVNGKFNW-GXSJLCMTSA-N 320.353 -0.941 30 20 DBED C[C@@H](C(=O)N1CC(NC(=O)c2c[nH]c(C#N)c2)C1)S(C)(=O)=O 990927220 FDXROSNJFDKXSL-QMMMGPOBSA-N 324.362 -0.740 30 20 DBED C=CCCn1cc(C(=O)N[C@H]2CCN(C(=O)CC)C[C@H]2O)nn1 991497532 GDNXABJOTSNZDJ-WCQYABFASA-N 321.381 -0.044 30 20 DBED C[C@H](C#N)C(=O)N1CC(NC(=O)c2ccnc3c2CC(=O)N3)C1 996352984 XOVLGDBORKFDQP-MRVPVSSYSA-N 313.317 -0.324 30 20 DBED C=CCN[C@H]1CN(C(=O)CC[C@@H]2NC(=O)NC2=O)CC1(C)C 996585056 ODZKSQUVZOUPGO-QWRGUYRKSA-N 308.382 -0.013 30 20 DBED O=C1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C#CC2CC2)N1 1004752245 ACZVPQAYPMYSNU-RQJABVFESA-N 315.373 -0.074 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@@H]2CCCCCN2C(=O)C(N)=O)c1 1005395738 PUJBJSYGYFFORB-NSHDSACASA-N 317.349 -0.127 30 20 DBED CC(=O)N1CC(C(=O)N[C@H](C)C2CN(C(=O)[C@@H](C)C#N)C2)C1 1005981415 ZZIIHLJDZBIPFU-VHSXEESVSA-N 306.366 -0.413 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2nc(O)nc(O)c2OC)C1 1015988995 JNCRUUYFVFVVPM-SECBINFHSA-N 306.322 -0.276 30 20 DBED CC(F)(F)C(=O)N[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1O 1022898847 SDHXFZRQFKZCNY-NXEZZACHSA-N 312.276 -0.157 30 20 DBED C#CCN1CCC(C(=O)N[C@H]2C[C@@H](N[C@H]3CCNC3=O)C2)CC1 1023128575 KMGCASJSIUSTIZ-ZNMIVQPWSA-N 318.421 -0.543 30 20 DBED Cc1ccn(C)c1C(=O)N[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1O 1023518868 RFNUFGLDVPVVOK-IJLUTSLNSA-N 304.350 -0.205 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnc3n2CCC3)C1 1024355781 OFOMGWDQNJCWFS-CKYFFXLPSA-N 317.349 -0.710 30 20 DBED C=CCCN1CCCC[C@@H]1CNC(=O)c1cn(CC(N)=O)nn1 1024814242 PXGAASRAINYULM-GFCCVEGCSA-N 320.397 -0.076 30 20 DBED C#CCCN1[C@H]2CC[C@H]1CN(C(=O)C1CC(=O)NC(=O)C1)C2 1029514437 MFJIPELMIKTKIJ-STQMWFEESA-N 303.362 -0.262 30 20 DBED C#CCCN1CC(CNC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1 1031972859 JOMQXOQEGVXLFT-KGLIPLIRSA-N 307.394 -0.307 30 20 DBED Cc1c(C(=O)NC[C@@H]2CN(CC#N)CCO2)nn2c1OCCC2 1035392188 UFOBMDCQQZVXAR-GFCCVEGCSA-N 319.365 -0.072 30 20 DBED CCCCN1CCOC[C@@H]1C(=O)NC[C@@H]1CN(CC#N)CCO1 1035456745 ARJPJROMMYONQM-HUUCEWRRSA-N 324.425 -0.172 30 20 DBED C#CCN1CCC(C(=O)N2CC[C@H](NCC(N)=O)[C@H](C)C2)CC1 1036309784 GXWSIZJYTSWYJZ-HIFRSBDPSA-N 320.437 -0.357 30 20 DBED O=C(C#CC1CC1)NC[C@]1(O)CCN(C(=O)c2csnn2)C1 1039688675 NPTYPQRFTZZWDS-CQSZACIVSA-N 320.374 -0.355 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@]1(O)CCN(C(=O)c2ncc[nH]2)C1 1039720746 DFQPLBVMLZXQPF-ABAIWWIYSA-N 320.349 -0.859 30 20 DBED C[C@H]1[C@@H](Nc2cncc(C#N)n2)CCN1C(=O)CS(C)(=O)=O 1040052183 KPTNAOGLFHBHOG-ONGXEEELSA-N 323.378 -0.206 30 20 DBED C[C@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)CC2=CCOCC2)C1 1040759439 IRVBXRSVXGZRQI-MLGOLLRUSA-N 321.377 -0.038 30 20 DBED COCC(C)(C)C(=O)N1CC[C@](O)(CNC(=O)[C@H](C)C#N)C1 1040765071 FMEROJCDKCWFDD-ABAIWWIYSA-N 311.382 -0.102 30 20 DBED C=CCN1CC[C@]2(CCN(C(=O)Cn3cnc(C(N)=O)n3)C2)C1 1041299448 DHXGBZCHWGFRQS-HNNXBMFYSA-N 318.381 -0.513 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)C[C@H](C)OC)C1 1041948643 SCBIFIAMXSMLLD-RYUDHWBXSA-N 314.382 -0.308 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)c2cccc(O)n2)C1 1042351981 QRYICISZGLAQLQ-VIFPVBQESA-N 304.306 -0.750 30 20 DBED O=C(C#CC1CC1)NCC1(O)CN(C(=O)c2ccnc(O)c2)C1 1042958873 OKZSODXRJMJJAB-UHFFFAOYSA-N 315.329 -0.496 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)[C@H]2CC[C@@H](C)O2)C1 1043042684 UKXPPVHBWIOARY-JHJVBQTASA-N 324.377 -0.718 30 20 DBED C=C(C)CCC(=O)NCC1(O)CN(C(=O)CS(C)(=O)=O)C1 1043312097 OAPIBDQDRXYYCA-UHFFFAOYSA-N 318.395 -0.923 30 20 DBED N#Cc1cncc(N2C[C@H](O)[C@H](NC(=O)C[C@@H]3CCCO3)C2)n1 1043853459 HSNWUYNSOCXCSK-XQQFMLRXSA-N 317.349 -0.417 30 20 DBED Cn1ccc(C(=O)N[C@@H]2CN(c3ccnc(C#N)n3)C[C@@H]2O)c1 1043908673 QFEMKEAXAXCIKK-NEPJUHHUSA-N 312.333 -0.334 30 20 DBED CO[C@H](C(=O)N1CC(O)(CNC(=O)[C@H](C)C#N)C1)C1CCC1 1045560325 UULADZUEZFCHEQ-PWSUYJOCSA-N 309.366 -0.349 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)[C@H]2CC[C@@H](C)O2)C1 1047021044 LJTARNDFSHGWQL-CHWSQXEVSA-N 308.378 -0.097 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cncc3ncn(C)c23)C1 1047414519 MZKJGNPBAIZUSO-KBPBESRZSA-N 313.361 -0.281 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCN(C)C(=O)C2)C1 1047433500 LXOHFYMONRFEHL-IHRRRGAJSA-N 307.394 -0.618 30 20 DBED CN(C(=O)[C@@H]1CCn2ccnc2C1)[C@H]1CN(CC#N)C[C@@H]1O 1047436016 RWGYEGGOVIDYKQ-AGIUHOORSA-N 303.366 -0.527 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C2=COCCO2)C1 1048130177 NSTTYIHQBIZJPE-RYUDHWBXSA-N 310.350 -0.129 30 20 DBED CSCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CSCC#N)C1 1048301845 JIKSYYLGYPQWGE-UWVGGRQHSA-N 317.436 -0.364 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCCOC)C1 1048372141 WHFZUWJKBKGXAL-STQMWFEESA-N 314.382 -0.354 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)[C@H]1CCN(C(=O)CCOC)C1 1049683709 AFUDDHYKISBHOE-STQMWFEESA-N 323.393 -0.484 30 20 DBED C[C@@H]1[C@@H](NC(=O)[C@@H]2CCNC2=O)CCN1c1nccnc1C#N 1050849170 ATDJARWDFZMTFN-MXWKQRLJSA-N 314.349 -0.432 30 20 DBED N#CCN1CCOC[C@@H]1CNC(=O)c1cccn2nnnc12 1050934649 RZZJZUYGSZUMAI-JTQLQIEISA-N 301.310 -0.922 30 20 DBED C#CCCN1CCOC[C@@H]1CNC(=O)[C@@H]1CCS(=O)(=O)C1 1051011577 KAFFYKCDJBYCGX-OLZOCXBDSA-N 314.407 -0.739 30 20 DBED C=CCCN1CCOC[C@@H]1CNC(=O)c1ccc(=O)n(C)n1 1051237619 WYQYVESYWZTGSE-LBPRGKRZSA-N 306.366 -0.213 30 20 DBED C=C(C)CN1CCOC[C@@H]1CNC(=O)c1cn(C)c(=O)n1C 1051263316 URCWMKVWXYQIML-LBPRGKRZSA-N 308.382 -0.270 30 20 DBED N#CCN1CCN([C@@H]2CCN(C(=O)C3=COCCO3)C2)CC1 1051977336 UMKWFLLYEZDYRT-CYBMUJFWSA-N 306.366 -0.383 30 20 DBED CC#CCN1CCC[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)CC1 1052945162 DKPORGSMMSMVKV-OLZOCXBDSA-N 313.423 -0.328 30 20 DBED C=CCN1CC2(C1)CN(C(=O)[C@@H]1CCS(=O)(=O)C1)CCO2 1053332150 OAHJCPMEEMFFGG-GFCCVEGCSA-N 314.407 -0.480 30 20 DBED C=CCCN1CC2(C1)CN(C(=O)[C@@H]1CN(C)C(=O)N1)CCO2 1053375123 ZUEGZSAPTZAZFX-LBPRGKRZSA-N 308.382 -0.501 30 20 DBED C#CCN1CC2(C1)CN(C(=O)CCN1CCOCC1)CCO2 1053472056 JFDDSQWUFSSLEQ-UHFFFAOYSA-N 307.394 -0.745 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)[C@H]1CCN(C(C)=O)C1)CCO2 1053520707 YPUDBBXUYIWQIB-HNNXBMFYSA-N 319.405 -0.209 30 20 DBED C#CCN1CC2(CC[C@@H](CNC(=O)c3cc(C(N)=O)c[nH]3)O2)C1 1053679322 ANLKFVNGZVUULI-LBPRGKRZSA-N 316.361 -0.290 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2CN(C(=O)[C@H](C)OC)C[C@@H]2C1 1055205386 QWGFXGNEWWIARP-XDQVBPFNSA-N 308.378 -0.024 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)CCNC(N)=O)C[C@@H]2C1 1055334237 ITEZWMXCMCYNEC-MXWKQRLJSA-N 307.354 -0.879 30 20 DBED COC(=O)[C@H]1C[C@H]1C(=O)N1CCN(c2ccc(C#N)nn2)CC1 1055734519 AZLBTOOQABZVKW-NEPJUHHUSA-N 315.333 -0.194 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)CCc1cn[nH]c1 1057524289 BASVABHPZUKZEH-UHFFFAOYSA-N 320.393 -0.061 30 20 DBED Cc1nc[nH]c1C(=O)NCCN(CCO)C(=O)C#CC(C)C 1057525540 XTFPWCOXBHMYLG-UHFFFAOYSA-N 306.366 -0.072 30 20 DBED CS(=O)(=O)CC(=O)N1CCC[C@H](Nc2nccnc2C#N)C1 1057578143 SSVAMMCBDCJOLR-JTQLQIEISA-N 323.378 -0.204 30 20 DBED N#Cc1nccnc1N[C@@H]1CCCN(C(=O)[C@@H]2CCNC2=O)C1 1057725167 VEPHYWXUDAFCEW-GHMZBOCLSA-N 314.349 -0.113 30 20 DBED N#Cc1ccc(N2CC[C@H](NC(=O)c3cc[n+]([O-])cc3)C2)nn1 1058277069 XTCFGJIRZKPTPT-ZDUSSCGKSA-N 310.317 -0.010 30 20 DBED C#CCNC(=O)CC(=O)NCCN(CCO)C(=O)C(C)(C)C=C 1058302496 VGIRMWYPSOARTK-UHFFFAOYSA-N 323.393 -0.725 30 20 DBED CCn1cc(C(=O)N[C@@H]2CCN(c3nccnc3C#N)C2)nn1 1058432614 XLYRDFMPIQMNJX-SNVBAGLBSA-N 312.337 -0.032 30 20 DBED C=C(C)C[C@H](C)C(=O)N(CCO)CCNC(=O)c1cnn[nH]1 1058466263 KEWYVWXYMZJHHY-NSHDSACASA-N 309.370 -0.042 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)[C@H]1CCCCC(=O)N1 1058787402 HPCONEUWIZUMFE-VXGBXAGGSA-N 324.381 -0.858 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(CCO)CCNC(=O)CSC 1058873252 VWHWZYZIXPFMFE-NEPJUHHUSA-N 316.423 -0.122 30 20 DBED CN1CCOC[C@@H]1C(=O)N[C@H]1C[C@H](N=c2cc[nH]c(C#N)n2)C1 1059186658 BWLLRJJGKAUVBP-IJLUTSLNSA-N 316.365 -0.840 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@H](CCNC(=O)CC(=O)NC)C1 1059646927 ZNWBNXIXQYSCBQ-STQMWFEESA-N 323.393 -0.484 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 1060864711 ADCIGSMQJXYDTN-GXFFZTMASA-N 315.333 -0.256 30 20 DBED CC(C)C#CC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1COCCO1 1061322497 DXQPDQLQAGAXAV-KBPBESRZSA-N 324.377 -0.595 30 20 DBED C=CCCC(=O)NC[C@H]1COCCN1C(=O)c1cc(=O)n(C)o1 1061406429 ITVZUQGQGJRGBE-NSHDSACASA-N 323.349 -0.098 30 20 DBED Cn1nncc1C(=O)NC[C@H]1CCN(c2cncc(C#N)n2)C1 1061593090 URENZRTYCYCLNO-SNVBAGLBSA-N 312.337 -0.267 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)c1cnnc(O)c1 1061852480 ITDHOVRLHRVVEU-GXSJLCMTSA-N 319.321 -0.701 30 20 DBED N#Cc1nc(=NC[C@@H]2CCCC[C@H]2NC(=O)C(N)=O)cc[nH]1 1064189223 PMTRBEOYIQTMRT-VHSXEESVSA-N 302.338 -0.658 30 20 DBED CCn1nncc1C(=O)N[C@H]1[C@H]2C[C@H]1N(c1ccnc(C#N)n1)C2 1064246085 GSONAHFQPSDFEZ-RBZYPMLTSA-N 324.348 -0.033 30 20 DBED Cc1cc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)c2nnn(C)n2)c(C#N)cn1 1064324562 LPFPLDXTIIGUSH-JIMOISOXSA-N 324.348 -0.208 30 20 DBED CC(=O)N(C)CC(=O)NC[C@H]1CN(C(=O)C#CC(C)C)CCO1 1065131332 YNAWLVNZWZEVDT-AWEZNQCLSA-N 323.393 -0.532 30 20 DBED CNC(=O)C1(C(=O)NC[C@H]2CN(C(=O)[C@H](C)C#N)CCO2)CC1 1065556642 JCKTYAYMSVNRTG-MNOVXSKESA-N 322.365 -0.984 30 20 DBED CNC(=O)NCC(=O)N1CCC[C@@H](NC(=O)[C@H](C)C#N)CC1 1066481206 LDALXWDKTBJCRI-GHMZBOCLSA-N 309.370 -0.428 30 20 DBED C#CCC1(C(=O)N(C)CCCN(C)C(=O)C(N)=O)CCOCC1 1067586900 VTMQLDBFNMFUKF-UHFFFAOYSA-N 323.393 -0.401 30 20 DBED N#Cc1cnc(NC[C@H]2C[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)cn1 1068589520 VHMMTDLSSLYMLU-IQIPOGNMSA-N 314.349 -0.224 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H]1CCC[C@@H]2CN(C(=O)C(N)=O)C[C@H]21 1069318893 MKIKGLWGXWAQMW-MPKXVKKWSA-N 313.361 -0.101 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)Cc2cnc[nH]2)C1 1070037989 FQWYYXZXEMHNJU-OLZOCXBDSA-N 301.354 -0.229 30 20 DBED C=CCN[C@@H]1CN(C(=O)c2ccnn2C)C[C@@H]1n1ccnn1 1070156291 ZLYGGDZXOINRNQ-YPMHNXCESA-N 301.354 -0.147 30 20 DBED C=CCN[C@@H]1CN(C(=O)[C@H]2CCNC(=O)C2)C[C@@H]1n1ccnn1 1070175435 HJBJJVRHVDHAPE-XQQFMLRXSA-N 318.381 -0.668 30 20 DBED CO[C@@H](C(=O)N1C[C@H](n2ccnn2)[C@H](NCC#N)C1)C1CC1 1070187721 NSVBGPIVHJPYIK-FRRDWIJNSA-N 304.354 -0.432 30 20 DBED C=CCN[C@@H]1CN(C(=O)[C@H]2OCCO[C@H]2C)C[C@@H]1n1ccnn1 1070211439 HNYNXPRJWVKYQB-CRWXNKLISA-N 321.381 -0.391 30 20 DBED C=CCN[C@@H]1CN(C(=O)[C@]2(C)CCC(=O)N2)C[C@@H]1n1ccnn1 1070267913 XAVLMIOYQXWPNQ-XUJVJEKNSA-N 318.381 -0.526 30 20 DBED Cc1nonc1C(=O)N1C[C@@H](NCC#N)[C@H](c2cn(C)cn2)C1 1070570355 KVAAKCGGBSPSNB-CMPLNLGQSA-N 315.337 -0.167 30 20 DBED CC(C)C#CC(=O)N1CCC[C@@H](NC(=O)Cn2ncnn2)C1 1070704407 RETRIMUXGFMKBZ-GFCCVEGCSA-N 304.354 -0.560 30 20 DBED C[C@@H]1CN(C(=O)CSCC#N)C[C@@H]1NC(=O)Cn1cncn1 1071658228 LUEOHLICYWZCRW-MNOVXSKESA-N 322.394 -0.502 30 20 DBED C=CCCOCC(=O)N[C@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1C 1072522666 XIOBXLKDUVHRCT-MNOVXSKESA-N 307.354 -0.026 30 20 DBED CC1(NC(=O)C(N)=O)CCN(C(=O)c2ccc(C#N)[nH]2)CC1 1072952591 SJRRUNYDBQKXGA-UHFFFAOYSA-N 303.322 -0.517 30 20 DBED C[C@H](C#N)C(=O)N1CCC(C)(NC(=O)Cn2cncn2)CC1 1073230360 WBTYKAWIMOMRRO-LLVKDONJSA-N 304.354 -0.065 30 20 DBED C#CCCN1CCC2(C1)CN(C(=O)[C@@H]1COCCN1C(C)=O)C2 1073443107 BDPRJFVVGPFUNZ-HNNXBMFYSA-N 319.405 -0.209 30 20 DBED COc1ccc(C(=O)N2CC[C@H]3OCCN(CC#N)[C@H]3C2)nn1 1074378670 ZPRDLTZJBDRKDB-QWHCGFSZSA-N 317.349 -0.076 30 20 DBED COc1c(C(=O)N2CC[C@@H]3OCCN(CC#N)[C@H]3C2)cnn1C 1074393190 WVVNEDBHENQOKM-STQMWFEESA-N 319.365 -0.132 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)Cc1ncc[nH]1 1076219158 WHYMITROKXWVOY-NSHDSACASA-N 319.365 -0.897 30 20 DBED COCC(=O)NCCC(=O)NCC[C@H](C)NC(=O)[C@H](C)C#N 1076894120 URVDMTVCABIAEQ-MNOVXSKESA-N 312.370 -0.690 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCN(C)C(=O)C2)C1 1077245022 HVFMEROSPQBJJE-BFHYXJOUSA-N 309.410 -0.018 30 20 DBED C#Cc1ccc(C(=O)NCC[C@H](C)NC(=O)CNC(N)=O)cn1 1077631993 DADMLYBQEFHPCG-JTQLQIEISA-N 317.349 -0.644 30 20 DBED COc1ccc2c(C(=O)N[C@@H]3CN(CC#N)C[C@H]3O)cnn2c1 1077849795 OLGTXLLAROOYMZ-TZMCWYRMSA-N 315.333 -0.359 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3nnc(C)n3C2)C1 1078219503 DBPMSEKYMSGJLC-BFHYXJOUSA-N 317.393 -0.666 30 20 DBED C[C@H](C#N)C(=O)N1CCCO[C@@H](CNCc2cn(C)nn2)C1 1078358746 WBMHEWHGMQRUGV-YPMHNXCESA-N 306.370 -0.318 30 20 DBED C#CCCCC(=O)N(CC)C1CN(C(=O)[C@H]2CNC(=O)N2)C1 1079682963 CBJNOMKAAUHPNA-GFCCVEGCSA-N 306.366 -0.469 30 20 DBED COc1ccc(C#N)cc1CN1C[C@@H](NC(=O)C(N)=O)[C@H](C)C1 1080367860 YMDUEJRLQJLWJW-ZWNOBZJWSA-N 316.361 -0.011 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@@H]1CCc2ncncc2C1 1081788660 VHNCGRNPOVOFSC-KCPJHIHWSA-N 315.377 -0.080 30 20 DBED C#CCCN1C[C@@H](NC(=O)c2ccc(=O)n(C)n2)[C@H](OC)C1 1082358721 OCXRYAUDAPWUOH-CHWSQXEVSA-N 304.350 -0.767 30 20 DBED C=CCn1cccc1C(=O)N[C@@H]1CN([C@@H](CC)C(N)=O)C[C@@H]1O 1083526552 XXQOUSQEJLENNK-DYEKYZERSA-N 320.393 -0.287 30 20 DBED Cn1cnc2cncc(C(=O)N[C@@H]3CN(CC#N)C[C@@H]3O)c21 1083538203 NKSJYZLNXWURBY-NEPJUHHUSA-N 300.322 -0.733 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)c2cnn3c2OCCC3)C1 1083605405 VWDYRXFFLAWRDU-OLZOCXBDSA-N 304.350 -0.536 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN([C@H](C)c3nnnn3C)C[C@@H]2O)C1 1083763010 VMTMIEUARDUANV-UTUOFQBUSA-N 320.397 -0.211 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCCN2C(=O)C(C)C)C1 1084070525 RIXRKVXQQWYBIP-ILXRZTDVSA-N 321.421 -0.182 30 20 DBED Cn1nnc(CN[C@H]2C[C@@H](CNC(=O)c3c[nH]c(C#N)c3)C2)n1 1086064617 XPIUAJXQAJEZRI-JGZJWPJOSA-N 314.353 -0.292 30 20 DBED C#CCN[C@@H]1CCCCCN(C(=O)c2nnc(O)nc2O)C1 1088342186 CVAKPBCLJBYDSV-SNVBAGLBSA-N 305.338 -0.110 30 20 DBED C[C@@H]1[C@@H](NC(=O)C2(n3cnnn3)CCOCC2)CCN1CC#N 1088912568 FNWHOLVHNLJKQM-NEPJUHHUSA-N 319.369 -0.719 30 20 DBED N#CCN1C[C@@H]2[C@@H]3CC[C@@H](CN3C(=O)C3(C(N)=O)CC3)[C@H]2C1 1089859650 RGITYFJZPQAGFZ-RNJOBUHISA-N 302.378 -0.056 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2cnn(CCOC)c2C)[C@H](O)C1 1090259024 QVRPLKKZSZNHHC-HUUCEWRRSA-N 320.393 -0.364 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2cc(C(N)=O)c[nH]2)[C@H](O)C1 1090676482 OXCQFHVNMSAIMW-DGCLKSJQSA-N 304.350 -0.698 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2CCN(CCCO)C[C@@H]2O)nc1 1090736284 HTIKZRUMARPJDK-ZFWWWQNUSA-N 303.362 -0.390 30 20 DBED C=CCCN1CC[C@H](NC(=O)c2c[nH]c(C(N)=O)c2)[C@@H](O)C1 1090813928 YNLIYDHZMRRLLP-AAEUAGOBSA-N 306.366 -0.145 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(c2ncnc3[nH]cnc23)C[C@@H]1O 1091096366 NZTRIUYNXSNHRR-MNOVXSKESA-N 314.349 -0.322 30 20 DBED CNC(=O)NCC(=O)NCC1CC(Nc2cnc(C#N)cn2)C1 1092269933 XQENLCJFXYFMPT-UHFFFAOYSA-N 317.353 -0.416 30 20 DBED CS(=O)(=O)CC(=O)NC1[C@H]2CN(c3ncccc3C#N)C[C@H]12 1093224653 AXDBCIOXGRMKIQ-QWRGUYRKSA-N 320.374 -0.451 30 20 DBED C[C@H](C#N)C(=O)NC1[C@@H]2CN(c3ncnc4c3nnn4C)C[C@@H]12 1093234399 KXRBQHLFELPXRA-IWSPIJDZSA-N 312.337 -0.531 30 20 DBED CCNC(=O)CC(=O)NC1[C@@H]2CN(c3ccnc(C#N)n3)C[C@@H]12 1093265612 JEDHEZVJMKSNLX-NXEZZACHSA-N 314.349 -0.575 30 20 DBED N#CCNC1CCC2(CC1)CN(C(=O)C1(C(N)=O)CC1)CCO2 1093406971 RRFBOUQCHJNBPJ-UHFFFAOYSA-N 320.393 -0.095 30 20 DBED Cc1cc(C#N)nc(NCCNC(=O)COCCN(C)C)n1 1093750025 HTBIXCZCSGNNBN-UHFFFAOYSA-N 306.370 -0.237 30 20 DBED C#Cc1cncc(C(=O)NCCNc2nccn3nnnc23)c1 1094126201 CVHFTJPXPFGKAH-UHFFFAOYSA-N 308.305 -0.263 30 20 DBED COCC(=O)NCCC(=O)NCCN=c1cc[nH]cc1C#N 1094196365 FGVYSLWDVKIWMW-UHFFFAOYSA-N 305.338 -0.944 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCNc1nc[nH]c2ncnc1-2 1094214730 NLHRDCSBXTTXAV-NSHDSACASA-N 313.365 -0.070 30 20 DBED C=C(C)CN1CC(n2cc(CNC(=O)[C@H]3COCCO3)nn2)C1 1094276467 PGJZJOFFILZGRA-CQSZACIVSA-N 321.381 -0.258 30 20 DBED C=C(C)CCN1CCN(C(=O)COC)[C@@H]2CS(=O)(=O)C[C@@H]21 1094593394 UPIQDCVQKPJTOZ-QWHCGFSZSA-N 316.423 -0.091 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)C[C@@H]3CCCO3)CC2=O)C1 1094708846 GTOSTBUROMLCKE-OCCSQVGLSA-N 305.378 -0.410 30 20 DBED N#CCN1CC(N2C[C@@H](NC(=O)c3ccnc(F)c3)CC2=O)C1 1094714024 ODUIXZBEIICFPH-NSHDSACASA-N 317.324 -0.241 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)C[C@H]3COC(=O)C3)CC2=O)C1 1094721589 GKYYGCTUKHVFHF-VXGBXAGGSA-N 321.377 -0.473 30 20 DBED CN(CCCNC(=O)CCn1cnnn1)c1ccncc1C#N 1095619308 RBHHUGFCVXPGFH-UHFFFAOYSA-N 314.353 -0.027 30 20 DBED C=CCOCC(=O)N[C@@H]1CCCN(c2nccn3nnnc23)C1 1096156233 QXILXTHZHVOYPG-LLVKDONJSA-N 317.353 -0.193 30 20 DBED CCNC(=O)CCC(=O)N[C@H]1CCN(c2cncc(C#N)n2)C1 1096332836 NCOCNDIQZGPBMS-NSHDSACASA-N 316.365 -0.041 30 20 DBED CNC(=O)CCCC(=O)N[C@H]1CCN(c2nccnc2C#N)C1 1096363349 UUVSKOGBXZUBGW-NSHDSACASA-N 316.365 -0.041 30 20 DBED CCC(=O)N(C)CC(=O)N1CCN(c2cnc(C#N)cn2)CC1 1096908980 CBVOBKCXMPDPFB-UHFFFAOYSA-N 316.365 -0.135 30 20 DBED C#CCNCc1cn([C@H]2CCN(C(=O)[C@H](C)OCC#C)C2)nn1 1098673939 WIEHHNPNKOOBFV-ZFWWWQNUSA-N 315.377 -0.187 30 20 DBED C#CCN1C[C@H](NC(=O)CNC(N)=O)CC2(CCOCC2)C1 1099563613 HMPIISHUYSFZJS-GFCCVEGCSA-N 308.382 -0.725 30 20 DBED CC(C)C#CC(=O)N[C@H]1CCN(CC(=O)NC(C)C)C[C@@H]1O 1099821206 RCILPFYKJYPMAK-KBPBESRZSA-N 309.410 -0.278 30 20 DBED C=C(C)CCC(=O)N[C@H]1CCN(CCOCCO)C[C@H]1O 1099857728 BABWWPVDZXIJJN-UONOGXRCSA-N 300.399 -0.097 30 20 DBED C=CCCN1CC[C@H](NC(=O)CN(C)C(=O)COC)[C@@H](O)C1 1099863115 IPDXNJWXQXVXQX-STQMWFEESA-N 313.398 -0.781 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)CN(C)C(=O)COC)[C@H](O)C1 1099863631 NIJONWSPFISIHG-CHWSQXEVSA-N 313.398 -0.781 30 20 DBED C=CCCN1CC[C@H](NC(=O)CCn2ncn(C)c2=O)[C@H](O)C1 1099934725 BLIZIQQQNTVRRC-QWHCGFSZSA-N 323.397 -0.901 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2nocc2C)[C@@H](O)C1 1100062514 VFOQQNNRYDPRNH-OLZOCXBDSA-N 307.350 -0.202 30 20 DBED Cc1nc(CC(=O)NCCN(C)c2ccnc(C#N)n2)n[nH]1 1100063244 XWKZSPGDJSIVMO-UHFFFAOYSA-N 300.326 -0.430 30 20 DBED CC#CCN1CC[C@@H](NC(=O)C2(C(=O)NC)CCC2)[C@@H](O)C1 1100085834 RJRGWMBJQZBKJH-OLZOCXBDSA-N 307.394 -0.523 30 20 DBED CN1C[C@@H](C(=O)NCCN(C)c2nccnc2C#N)CCC1=O 1100150764 PFMOVXHSIRTDTI-NSHDSACASA-N 316.365 -0.231 30 20 DBED CN(CCNC(=O)[C@@]1(C)CCNC(=O)C1)c1cnc(C#N)cn1 1100398351 DSRHXROKKFMZDA-HNNXBMFYSA-N 316.365 -0.183 30 20 DBED N#Cc1ccc(N(CCNC(=O)Cn2cnnn2)C2CC2)nc1 1101281137 KQNGPBJYUUOVMK-UHFFFAOYSA-N 312.337 -0.275 30 20 DBED CNC(=O)CC(=O)N(C)[C@@H]1CCN(c2nc(C)cc(C#N)n2)C1 1102697850 PTPVJBPEJFKCLO-GFCCVEGCSA-N 316.365 -0.170 30 20 DBED C[C@@H](CNC(=O)CS(C)(=O)=O)CNc1cnc(C#N)cn1 1103866601 LBVDKBDTEXPZLQ-SECBINFHSA-N 311.367 -0.443 30 20 DBED Cc1cc(=NC[C@@H](C)N(C)C(=O)CNC(N)=O)c(C#N)c[nH]1 1104451973 CJVLVFAVZAQQFU-SNVBAGLBSA-N 304.354 -0.389 30 20 DBED COC(=O)NCC(=O)NC[C@H](N=c1cc[nH]c(C#N)n1)C(C)C 1105151961 QJJGMWRKCVZLIC-JTQLQIEISA-N 320.353 -0.321 30 20 DBED C#CCNCc1cn(C2CN(C(=O)Cc3n[nH]c(C)n3)C2)nn1 1105235769 RNPCNMIDWMBBHF-UHFFFAOYSA-N 314.353 -0.947 30 20 DBED CN(CCN(C)c1ccc(C#N)nn1)C(=O)c1cnn(C)n1 1105432041 FZSWCQYIOKDTNF-UHFFFAOYSA-N 300.326 -0.315 30 20 DBED Cc1cc(NC[C@H](O)CNC(=O)C#CC(C)C)nc(CO)n1 1105812207 REEVHUCPJAZRQA-LBPRGKRZSA-N 306.366 -0.174 30 20 DBED Cn1cncc1CC(=O)NC[C@@H](O)CNc1cnc(C#N)cn1 1105914372 VCEZNASLXHEWFH-LBPRGKRZSA-N 315.337 -0.787 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H](O)CNc1cncc(C#N)n1 1105970741 MPDOUSHHIQOCFU-JQWIXIFHSA-N 303.322 -0.724 30 20 DBED COC[C@@H](OC)C(=O)NC[C@H](O)CNc1nc(C)cc(C#N)n1 1106088002 XIIRWOSENJUXAK-NWDGAFQWSA-N 323.353 -0.793 30 20 DBED Cc1cc(=NC[C@H](O)CNC(=O)CC(=O)N(C)C)c(C#N)c[nH]1 1106133907 OQFSDBCQXFIXCZ-LBPRGKRZSA-N 319.365 -0.949 30 20 DBED CCN(CCNc1cnc(C#N)cn1)C(=O)Cn1cnnc1O 1106732075 UUWZGIFHPZSGDX-UHFFFAOYSA-N 316.325 -0.394 30 20 DBED C#CCNC[C@@H]1CN(C(=O)[C@H]2CCN(C)S2(=O)=O)C[C@H]1C 1106752560 YKGUWPZPIYHXHL-JHJVBQTASA-N 313.423 -0.662 30 20 DBED C=CCN1CC(n2cc(CNC(=O)[C@H](CC)NC(C)=O)nn2)C1 1107213438 AWUJMFVIOLADGG-AWEZNQCLSA-N 320.397 -0.148 30 20 DBED C[C@H](CNc1nccn2nnnc12)NC(=O)c1cc(C#N)c[nH]1 1107677344 SSVLKTOAMUMIED-MRVPVSSYSA-N 311.309 -0.051 30 20 DBED C[C@@H](CNc1nccn2nnnc12)NC(=O)CSCC#N 1108254702 PXVMAAGCPNPDHK-QMMMGPOBSA-N 306.355 -0.307 30 20 DBED COCC#CCN1CCO[C@@](C)(CNC(=O)c2nc[nH]n2)C1 1108286686 AAKBUBUZCXFEQB-AWEZNQCLSA-N 307.354 -0.725 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)CNC(=O)c2ccco2)C1 1108379186 VKRODVVDUGEOEH-INIZCTEOSA-N 319.361 -0.150 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)[C@@H](C)CN2CCOCC2)C1 1108401263 OYYSZWQXSBZYNN-RDJZCZTQSA-N 323.437 -0.205 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)CCn3cncn3)CC2=O)C1 1108508960 AOPQYCFHGNFHQF-LBPRGKRZSA-N 318.381 -0.745 30 20 DBED C#CCCN1CC(N2C[C@@H](NC(=O)[C@H](C)OCC)CC2=O)C1 1108513214 DAAQQBPYKDZIAP-STQMWFEESA-N 307.394 -0.164 30 20 DBED C#CCOCCC(=O)N[C@@H](C)CNc1nccn2nnnc12 1108531103 ZQYLVZBSYZJGML-JTQLQIEISA-N 303.326 -0.524 30 20 DBED COCC(=O)NCCC(=O)N[C@@H](C)CNc1ccc(C#N)nn1 1108748060 MGDXQRURRMKVDV-JTQLQIEISA-N 320.353 -0.582 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)c1ccnc2[nH]nnc12 1108792834 FGZAZUOLSMZDCD-QMMMGPOBSA-N 323.320 -0.333 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1nc(O)n[nH]1 1109266437 BXSMOBMZENSMPG-WYUUTHIRSA-N 319.365 -0.230 30 20 DBED CC(=O)N1CC(C(=O)N(C)CCCN=c2cc[nH]c(C#N)n2)C1 1109438348 OXBGVPNHTDVGGQ-UHFFFAOYSA-N 316.365 -0.491 30 20 DBED N#Cc1nc(=NC[C@@H](NC(=O)C2=COCCO2)C2CC2)cc[nH]1 1109784528 HWDWVZZRLCHKGR-LLVKDONJSA-N 315.333 -0.035 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)[C@H]2C[C@H]3CC[C@H]2O3)CC1 1112715026 FCLYJPJDBAIBBI-FRRDWIJNSA-N 306.366 -0.662 30 20 DBED CN(C)CCC(=O)NC[C@@H]1CN(c2ccc(C#N)nc2)C[C@@H]1O 1112754545 CDZLVYWHMKFWHR-DOMZBBRYSA-N 317.393 -0.182 30 20 DBED C[C@H](CNC(=O)CCn1cncn1)N(C)c1ccc(C#N)nn1 1113492906 MSIFROIDFJWOJH-LLVKDONJSA-N 314.353 -0.029 30 20 DBED C[C@H](CNC(=O)CS(C)(=O)=O)N(C)c1nccnc1C#N 1113521473 WMZWPXZRMMRPMD-SECBINFHSA-N 311.367 -0.666 30 20 DBED COCC#CCN1C[C@@H]2C(NC(=O)Cc3cn(C)nc3C)[C@H]2C1 1114414434 UFIYJJDEABKJNP-GJZGRUSLSA-N 316.405 -0.033 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@]3(C)CCC(=O)N3)[C@H]2C1 1114805519 FJIFKSAFEVQFBQ-CIGZNWKYSA-N 320.393 -0.996 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)c3ncccn3)[C@@H]2C1 1115005245 IEPXXMPBEZQQIO-QJPTWQEYSA-N 313.361 -0.726 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)CN3CCCC3)[C@H]2C1 1115243517 PHBFJUIMUNKQNJ-IHRRRGAJSA-N 318.421 -0.734 30 20 DBED C[C@H](CN(C)C(=O)CN1CCOCC1)Nc1nccnc1C#N 1115677769 DXWAYUCTSVNGHY-GFCCVEGCSA-N 318.381 -0.061 30 20 DBED C=C[C@H](COC)NC(=O)N1CCN(c2cnn(C)c2)C(=O)C1 1116616821 FAMWRAKUHCQWLN-LLVKDONJSA-N 307.354 -0.021 30 20 DBED C=CCN1CCC(NC(=O)C(=O)NCCn2cncn2)CC1 1117314235 FGRLXRYEWSUUOA-UHFFFAOYSA-N 306.370 -0.839 30 20 DBED C#CCSCCNC(=O)C(=O)N(C)CCN1CCOCC1 1117461967 RIWJLKCMEQTRPA-UHFFFAOYSA-N 313.423 -0.740 30 20 DBED C#CCN(C(=O)C(=O)N1C[C@@H](C(=O)OC)C[C@@H](O)C1)C(C)C 1120497698 KEDGQOZZZAJIPX-NWDGAFQWSA-N 310.350 -0.761 30 20 DBED C[C@H](CN(C)C(=O)c1nnn(C)n1)Nc1cnc(C#N)cn1 1120501497 FLYJTWCSSDJKEV-MRVPVSSYSA-N 301.314 -0.556 30 20 DBED N#Cc1cncc(N[C@H](CO)CNC(=O)c2cnns2)n1 1121092830 SXHCTEKJXRAUIV-QMMMGPOBSA-N 305.323 -0.597 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H](CO)Nc1nc(C)cc(C)n1 1121353214 OBATWQFQWWDXCA-LBPRGKRZSA-N 319.365 -0.878 30 20 DBED CC(C)[C@@H](C(=O)NC[C@@H](CO)Nc1cncc(C#N)n1)N(C)C 1121838642 JLPNSQDCGQCKIF-JSGCOSHPSA-N 320.397 -0.177 30 20 DBED CN(C)C1(C(=O)NC[C@H](CO)N=c2cc[nH]c(C#N)n2)CCC1 1122188783 ABYVPRIHZLQZTA-LLVKDONJSA-N 318.381 -0.857 30 20 DBED CC(=O)NCC(=O)N1CC[C@@H](N=c2cc[nH]cc2C#N)[C@@H]1C 1122904313 RQONPZVQAPPYIY-GXFFZTMASA-N 301.350 -0.087 30 20 DBED N#Cc1cncc(N2CC[C@@]3(NC(=O)CC(N)=O)CCC[C@H]23)n1 1123394496 PSGSMDRORNXYAR-NHYWBVRUSA-N 314.349 -0.159 30 20 DBED CNC(=O)CC(=O)N(C)C[C@@H](O)CNc1ccc(C#N)cn1 1124256280 HAYWPPAXVXUVOF-NSHDSACASA-N 305.338 -0.679 30 20 DBED C=CCOCC(=O)NCCN[C@H](C)C(=O)NCCCOCC 1124773421 RGQRBFZQDFVPLO-CYBMUJFWSA-N 315.414 -0.174 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)Cc1ccnn1C 1126393001 ICUOOFILRYTJAQ-UHFFFAOYSA-N 320.397 -0.569 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)[C@@H](C)NC(=O)CC 1127973077 GKIDYCPATVRYOX-CYBMUJFWSA-N 324.425 -0.193 30 20 DBED C=C(C)CNCc1nnc2n1CC[C@@H](NC(=O)C(N)=O)CC2 1128032298 CYCDDOILDICWIN-JTQLQIEISA-N 306.370 -0.750 30 20 DBED C=CCCC(=O)N[C@@H]1CN([C@H](C)C(N)=O)C[C@@H]1n1ccnn1 1128816385 JPSDVLLUOBQKLP-UTUOFQBUSA-N 306.370 -0.540 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)C[C@H]2CCNC2=O)C1=O 1129297782 OPOPLKQFOMBQMK-NEPJUHHUSA-N 308.382 -0.995 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)C[C@H]2CCN(C)C2=O)C1=O 1130051486 PVPWZKBQMPQIIE-OLZOCXBDSA-N 322.409 -0.653 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)c1cc(OCC)n[nH]1 1130109463 OUYPSVKXPWZFQT-SNVBAGLBSA-N 309.370 -0.182 30 20 DBED C#CCNC(=O)CC(=O)NCc1c[nH]nc1[C@H]1CCN(CC)C1 1130383724 LUEVLCYTYIOTHZ-LBPRGKRZSA-N 317.393 -0.025 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1cnn2c1OCCC2 1130834959 IWKCDNTWTKVLIS-UHFFFAOYSA-N 307.354 -0.713 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)c1cc(=O)c(OC)c[nH]1 1131362972 TXRSIAFXRPZGQQ-JTQLQIEISA-N 322.365 -0.606 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2cnccn2)CC[C@H]1C 1131751136 FWHDCMGVWNDZDM-OLZOCXBDSA-N 315.377 -0.191 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)C[C@@H](C)NCc1nc(O)n[nH]1 1134130213 DTUVCUSQGYMUMM-ZJUUUORDSA-N 322.369 -0.977 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NCCNCC(=O)N(C)C1CC1 1134812647 OOWDYVYZRBICIJ-AWEZNQCLSA-N 324.425 -0.216 30 20 DBED COc1ccc(C(=O)NCCNCC(=O)NCC#N)cc1C 1135315793 ARUQHNTWNJPAJV-UHFFFAOYSA-N 304.350 -0.037 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)CCOCCCOC 1147075591 MWYBDRNSVQLIFT-ZDUSSCGKSA-N 313.398 -0.727 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CN(CCN2CCNC2=O)CCCO1 1149405923 FZSHWTREWVSOJI-QWHCGFSZSA-N 323.397 -0.622 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1cc2c(nc1O)CCC2 1151135659 ZUGXJBGUJPCFBE-UHFFFAOYSA-N 318.377 -0.103 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H](C)N1CCCCC1=O 1152169789 MVVRVINNONKVMK-CHWSQXEVSA-N 322.409 -0.769 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1ncccc1OCC 1153921492 YZRWQCBFOMZSJL-LBPRGKRZSA-N 318.377 -0.062 30 20 DBED C#CCCN1CCC(CNC(=O)CC(=O)NC)(COC)CC1 1162229970 IXARIPUZMFNAAC-UHFFFAOYSA-N 309.410 -0.009 30 20 DBED C#CCNC(=O)CNCC1(CCNC(=O)[C@H](C)NC(C)=O)CC1 1163286096 PAEHYXLGYICKAV-LBPRGKRZSA-N 322.409 -0.864 30 20 DBED C=CCn1cc(C(=O)NCCCNCC(=O)NC(C)C)nn1 1167838586 HRXAOOWNYMFIME-UHFFFAOYSA-N 308.386 -0.302 30 20 DBED C=CCNC(=O)CNCCCC[C@@H](C)NC(=O)Cn1cnnn1 1169046456 XZQMXPSLVSQKIC-GFCCVEGCSA-N 323.401 -0.760 30 20 DBED COCC#CCNCCCC[C@H](C)NC(=O)[C@H](C)NC(N)=O 1170372353 FNDFDGAFDBHKBA-STQMWFEESA-N 312.414 -0.042 30 20 DBED COCC#CCN1CCO[C@@H]2CCN(C(=O)c3cnn[nH]3)C[C@@H]21 1177042680 QYKIHXHLALKOCK-UONOGXRCSA-N 319.365 -0.630 30 20 DBED CCS(=O)(=O)NCC(=O)NCCCCCCNCC#N 1178622155 ZAYBIOCTQJCGNT-UHFFFAOYSA-N 304.416 -0.285 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)COCC(F)F)C1 1184542959 BUSZVFBMNYOQDS-SNVBAGLBSA-N 305.325 -0.239 30 20 DBED C[C@@H]1CN(C(=O)c2cn(C)c(=O)n2C)CC[C@@H]1CNCC#N 1185762634 OIHTZOBALQCNKK-VXGBXAGGSA-N 305.382 -0.065 30 20 DBED CC(=O)N1CCC[C@@H](n2cc(CNCC(=O)NCC#N)nn2)C1 1185856276 OYNMNHYMLUYUGG-CYBMUJFWSA-N 319.369 -0.809 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)CN(C)CCC)C1 1187329837 YJLQMMNSHFKVEI-UONOGXRCSA-N 308.426 -0.343 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@H](N(C)CCS(C)(=O)=O)C1 1190094535 LLNZCZFIGKUTLK-STQMWFEESA-N 316.423 -0.398 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)[C@H](C)OCC#C)C1 1190095152 QLUKLXWGIBTAMZ-UONOGXRCSA-N 305.378 -0.693 30 20 DBED COCC#CCN(C)[C@@H]1CCN(C(=O)C[C@@H]2CCNC2=O)C1 1190634484 HDZBHLZOUFQRNY-UONOGXRCSA-N 307.394 -0.305 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CN(Cc2noc(C3CC3)n2)C[C@H]1O 1191881170 HHSICLPETPRZAO-FBIMIBRVSA-N 305.338 -0.232 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(CC2CCCCC2)C[C@H]1O 1192382611 NXSLVJQVIXACFH-HUUCEWRRSA-N 321.421 -0.133 30 20 DBED C=CCn1cc(C(=O)N2CC[C@@H](N(C)C[C@@H](O)COC)C2)nn1 1192724276 RMLVWLHFZALKKF-CHWSQXEVSA-N 323.397 -0.382 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)CN(C)C2CCC2)C1 1193821503 LJFPPJWRAMODTF-HUUCEWRRSA-N 309.410 -0.718 30 20 DBED C=CCCCN1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCN(C)C2=O)C1 1193987791 LRCSBWQAEPLUIQ-BFHYXJOUSA-N 309.410 -0.018 30 20 DBED C#CCOCCC(=O)N1CCCN(Cc2nc(O)n[nH]2)CC1 1195824183 KXOFOPMTOQYHAX-UHFFFAOYSA-N 307.354 -0.416 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)[C@H]2CCC(=O)NC2)CCCO1 1200865585 KNVLKDQQGNTQSB-UONOGXRCSA-N 307.394 -0.257 30 20 DBED C=C(C)CNC[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)CCCO1 1202013927 OHYPIACDXOSKMT-GFCCVEGCSA-N 324.381 -0.679 30 20 DBED C#CCNC(=O)[C@@H](C)NCC1CCN(C(=O)CCN(C)C)CC1 1206138065 FYCGIJRMBZQJTM-CQSZACIVSA-N 322.453 -0.096 30 20 DBED Cc1ccc(C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@H]2C)nn1 1206943790 FIIUATBCFPJUBT-ZWNOBZJWSA-N 316.365 -0.525 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCCN(C(=O)c2cn[nH]c2)C1 1207491193 ZVVGEJZBLMKBJG-AAEUAGOBSA-N 303.366 -0.258 30 20 DBED C=C(C)CN1C[C@@H](NC(=O)CNS(=O)(=O)NC)[C@H](C)C1 1208138939 RGUQSFWIEDSPGC-GHMZBOCLSA-N 304.416 -0.947 30 20 DBED CC#CCN[C@H]1CCCN(C(=O)[C@H]2CN(C(C)=O)CCO2)C1 1210891789 AWLIVYCWYJRLBI-LSDHHAIUSA-N 307.394 -0.162 30 20 DBED COCC#CCN1C[C@@H](NC(=O)c2cncnc2C)[C@H](OC)C1 1211925121 QGGZXDNRIKPXRI-HUUCEWRRSA-N 318.377 -0.136 30 20 DBED COCC#CCN1C[C@@H](NC(=O)c2cc(C)ncn2)[C@H](OC)C1 1212125185 OULIZABLABWZKY-HUUCEWRRSA-N 318.377 -0.136 30 20 DBED C=CCN1C[C@@H](NC(=O)CNC(=O)N2CCCC2)[C@H](OC)C1 1212262366 MOAUZDZSXKICJH-CHWSQXEVSA-N 310.398 -0.207 30 20 DBED CC#CCN1C[C@@H](NC(=O)[C@@H](NC(N)=O)C(C)(C)C)[C@H](OC)C1 1213726211 RPBNALTZBSMULE-JHJVBQTASA-N 324.425 -0.092 30 20 DBED CCn1nccc1C(=O)N1C[C@@H](NCC(=O)NCC#N)[C@H](C)C1 1214495927 PSKZQWMPKIORDT-VXGBXAGGSA-N 318.381 -0.407 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)Cc2ccn(C)n2)C[C@H]1C 1214588244 XWGHENMCKUGWGD-TZMCWYRMSA-N 319.409 -0.299 30 20 DBED CC#CCN[C@@H]1CN(C(=O)CN2CCC(=O)NC2=O)C[C@H]1C 1216252655 WXQDNFNCSBWAJC-VXGBXAGGSA-N 306.366 -0.612 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C=C2CCCCC2)C1 1219284418 USWIDVOZRLPCGU-CABCVRRESA-N 319.405 -0.212 30 20 DBED C#CCCCCC(=O)N[C@@H]1CN(Cc2ncnn2C)C[C@@H]1O 1219481934 CUCHXBRJSQXVGI-OLZOCXBDSA-N 305.382 -0.330 30 20 DBED C=CCC[C@@H](C)N1C[C@H](O)[C@H](NC(=O)C2CN(C(C)=O)C2)C1 1219513236 OBLIPSNHXBJZPA-DFBGVHRSSA-N 309.410 -0.019 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(C[C@@H](O)COC)C[C@@H]2O)cc1 1220116695 DPQIJKFYZOVVGQ-OAGGEKHMSA-N 318.373 -0.550 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)CCCC=C)C1 1220247484 DWKPZHUHMJMENN-MCIONIFRSA-N 307.394 -0.358 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)CCc2ccccc2C(N)=O)C1 1220766834 HHOBELOWFRKISQ-KGLIPLIRSA-N 316.361 -0.597 30 20 DBED C=CCOCCN1CC[C@@H]2CN(C(=O)Cn3ncnn3)[C@@H]2C1 1221554411 SHNIXIVGPZHDKX-CHWSQXEVSA-N 306.370 -0.592 30 20 DBED C=CCCN1CC[C@@H]2CN(C(=O)CS(=O)(=O)NC)[C@@H]2C1 1222024556 DOYWLUKZKSDLDK-VXGBXAGGSA-N 301.412 -0.356 30 20 DBED C#CCCCC(=O)NCC1CCN(CC(=O)NC(N)=O)CC1 1222987712 XUZZTCFCKYKFQJ-UHFFFAOYSA-N 308.382 -0.187 30 20 DBED C=CCN[C@@H]1CCCC[C@H]1NC(=O)CNC(=O)CNC(C)=O 1227136362 SEMWOCXHGXAKFP-CHWSQXEVSA-N 310.398 -0.558 30 20 DBED C=CCNC(=O)[C@H](C)N1CCC(NC(=O)[C@@H]2CCNC2=O)CC1 1228589401 SSXZDPOARHHMLG-WCQYABFASA-N 322.409 -0.606 30 20 DBED CN1CC[C@@H](C(=O)NC2CCN(CC(=O)NCC#N)CC2)C1 1230262604 JMXFTGLZWWQGNF-GFCCVEGCSA-N 307.398 -0.842 30 20 DBED C#CCNC(=O)CC(=O)N(C)C[C@H]1CCN1[C@@H](C)C(=O)N(C)C 1233808495 BBJJOHJFVMDLHD-QWHCGFSZSA-N 322.409 -0.865 30 20 DBED C#CCOCCC(=O)N(C)C[C@@H]1CCN1Cc1nc(O)n[nH]1 1234246118 IRQWJYQBWHJLGS-NSHDSACASA-N 307.354 -0.417 30 20 DBED CCS(=O)(=O)N[C@@H](C)C(=O)N(C)C[C@H]1CCN1CC#N 1234447569 WXBUIESFOQGSQC-WDEREUQCSA-N 302.400 -0.630 30 20 DBED COC(=O)[C@H](C)CNC(=O)C(=O)Nc1cc(C)nn1CCC#N 1253369928 VJABOJVZUVSTSC-SECBINFHSA-N 321.337 -0.031 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCC(O)(c2nn[nH]n2)CC1 1262173205 XIXBQYUSLQGIBV-NSHDSACASA-N 304.354 -0.893 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2ccc(C(N)=O)nc2)C1 1316995105 UAQJXTGXRRLYPA-CYBMUJFWSA-N 316.361 -0.366 30 20 DBED CC(C)NC(=O)COC(=O)CCN/C(O)=C1\N=CC=CC1=O 1318672877 VYXXKNVTJALXBM-BUHFOSPRSA-N 309.322 -0.029 30 20 DBED C#CCOCCN(C)CC(=O)N(CC)[C@@H]1CCS(=O)(=O)C1 1319554256 QUXKFMCRQHDZQI-CYBMUJFWSA-N 316.423 -0.396 30 20 DBED C#C[C@H](C)NC(=O)C(=O)Nc1cnn(CCN2CCOCC2)c1 1321668006 QYYOKLUTMSWISK-LBPRGKRZSA-N 319.365 -0.708 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN3CCCC[C@@H]23)CCO1 1321886719 OVPHAUONVDYUKA-UPJWGTAASA-N 306.366 -0.520 30 20 DBED N#CCN1CCC(NC(=O)NC[C@H]2CC[C@H](C(N)=O)O2)CC1 1323834383 DKAYHFDTTWLPBI-VXGBXAGGSA-N 309.370 -0.694 30 20 DBED C=CC[C@H](CC)NC(=O)C(=O)N1C[C@H]2C(=O)N(C)C(=O)[C@H]2C1 1330195886 BZEKKBQBKUYCAQ-GARJFASQSA-N 307.350 -0.470 30 20 DBED COC1CCN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CC1 1345618382 IRQALWVSLFKNMV-ZDUSSCGKSA-N 320.393 -0.177 30 20 DBED C=CCCO[C@@H](C)C(=O)N(C)Cc1nnc2n1CCNC2=O 1349224532 XPFSMBIDLOQCTM-JTQLQIEISA-N 307.354 -0.039 30 20 DBED C[C@]1(CO)CCCN(C(=O)CCn2cc(C#N)c(O)nc2=O)C1 1362546991 ZIEAMLUREWTDSU-HNNXBMFYSA-N 320.349 -0.168 30 20 DBED Cc1cc(OCC(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2O)no1 1371462187 UJPSTJLRQYQGLM-JMJZKYOTSA-N 322.321 -0.791 30 20 DBED CC(=O)NCC(=O)N1CCCC2(C1)CN(C(=O)[C@H](C)C#N)C2 1383441710 XVDCNVWSNWAKIZ-LLVKDONJSA-N 306.366 -0.267 30 20 DBED CO[C@@H](C)CC(=O)N1CCN(CCNC(=O)[C@@H](C)C#N)CC1 1385571425 MLWLFTCUZQHQDQ-STQMWFEESA-N 310.398 -0.169 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@H](NC(=O)CCCC(N)=O)C2)[nH]1 1386054916 BLWWAJCSVSMCQO-NSHDSACASA-N 317.349 -0.127 30 20 DBED C[C@H](C#N)C(=O)N(C)CCN(C)CC(=O)NC[C@@H]1CCCO1 1392266437 SMDADTMFQBLUPN-OLZOCXBDSA-N 310.398 -0.169 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](C)NC(=O)CCS(=O)(=O)N(C)C 1397589176 SVPPCJLFBVNBOD-VHSXEESVSA-N 318.399 -0.952 30 20 DBED CCC[C@H](C(=O)N(C)CCNC(=O)[C@H](C)C#N)S(N)(=O)=O 1398015365 RAUHSLPFBPEWMW-NXEZZACHSA-N 318.399 -0.822 30 20 DBED CCN(CCNC(=O)[C@@H](C)C#N)C(=O)[C@@H]1CCS(=O)(=O)C1 1398131446 AFUVHCHWVVZKOM-WDEREUQCSA-N 315.395 -0.455 30 20 DBED CC(=O)NCC(=O)NC1(CNC(=O)c2cc(C#N)c[nH]2)CC1 1400551517 IAZNVCQTTBUHBZ-UHFFFAOYSA-N 303.322 -0.599 30 20 DBED COC[C@@H](O)CNC[C@H](NC(=O)c1cc(C#N)c[nH]1)C1CC1 1406754484 QTTGEZIQOACTMZ-JSGCOSHPSA-N 306.366 -0.008 30 20 DBED Cn1cc(C(=O)NC[C@H](O)CNC(=O)c2ccc(C#N)[nH]2)cn1 1410071060 VAPLMSPMROZMSK-NSHDSACASA-N 316.321 -0.859 30 20 DBED N#Cc1sccc1C(=O)NCCc1nnc2n1CCNC2=O 1412609142 PSWOGFNGVJRDPD-UHFFFAOYSA-N 316.346 -0.073 30 20 DBED Cn1c(=O)[nH]c(NCC2CCS(=O)(=O)CC2)c(C#N)c1=O 1412883660 QYBFDZAHAQWILF-UHFFFAOYSA-N 312.351 -0.818 30 20 DBED CC(C)S(=O)(=O)CC(=O)N1CC(NC(=O)[C@H](C)C#N)C1 1430291298 NKPZAEIEOVKOIQ-SECBINFHSA-N 301.368 -0.704 30 20 DBED CCN(CCNC(=O)CN1CCCNC1=O)C(=O)[C@H](C)C#N 1431656696 ZKTSJKLQCOJTOX-LLVKDONJSA-N 309.370 -0.474 30 20 DBED C[C@H](C#N)C(=O)N1CCC2(CC1)CN(CC(=O)NC(N)=O)C2 1438616603 HXUUJBASODLMAL-SNVBAGLBSA-N 307.354 -0.735 30 20 DBED C[C@@H](C#N)C(=O)N1CCCO[C@H](CNC(=O)Cc2cc[nH]n2)C1 1445237219 FPSQTAKTHXOERZ-WCQYABFASA-N 319.365 -0.154 30 20 DBED C=C(Cl)CNC[C@@H](C)NC(=O)Cn1ncn2nccc2c1=O 1445450651 UOFQWLUXKRVYSV-SNVBAGLBSA-N 324.772 -0.262 30 20 DBED CO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1NC(=O)CCCN(C)C 1445614055 QMSXJAWJNOPBLW-JHJVBQTASA-N 310.398 -0.170 30 20 DBED CNS(=O)(=O)NC1CCN(C(=O)NCC(C)(C)C#N)CC1 1469750790 CCBBGGFXPNSHKI-UHFFFAOYSA-N 317.415 -0.236 30 20 DBED CCN(CCNC(=O)[C@@H](C)C#N)Cc1nnc2n1CCOC2 1492926984 OSCJSTUFOSPZIH-NSHDSACASA-N 306.370 -0.094 30 20 DBED CC(=O)NC1(C(=O)N2CC(NC(=O)[C@@H](C)C#N)C2)CCCC1 1498384925 ZDMPMMPGQRVZCW-JTQLQIEISA-N 306.366 -0.078 30 20 DBED C=C(C)Cn1c([C@@H](C)O)nnc1N1CCO[C@H](C(=O)NC)C1 1515482688 MQXMNXMQRSBPHE-MNOVXSKESA-N 309.370 -0.141 30 20 DBED C[C@@H](CN(C)C(=O)NCCN/C(O)=C1/N=CC=CC1=O)C(=O)O 1573586514 DUXRMBNYDHTDEQ-ASGQQMQCSA-N 324.337 -0.125 30 20 DBED C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](N)C1 1574951583 DDCFVWDMMOJORZ-ZJUUUORDSA-N 314.415 -0.388 30 20 DBED C#Cc1cccc(NC(=O)C(=O)N2C[C@H](O)C[C@@H](C(=O)O)C2)c1 1588523906 XXSZPNDQALQURG-DGCLKSJQSA-N 316.313 -0.100 30 20 DBED C=C(CCC(=O)O)C(=O)NCCc1nnc2n1CCN(C)C2=O 1588629964 OVOOLSACKVAKFR-UHFFFAOYSA-N 321.337 -0.557 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)O 1588684854 ZLHDLQXGDNHZJU-CABZTGNLSA-N 305.352 -0.586 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N(C)[C@H]2C[C@@H](C(=O)O)C2)nn1 1588909017 FKXVOLAMLSUPHM-JGZJWPJOSA-N 321.337 -0.598 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N1CCN(CCC(=O)O)CC1 1592222450 WWPASVMNHAZCRF-LLVKDONJSA-N 318.399 -0.443 30 20 DBED C#CC1(O)CN(C(=O)N[C@H]2Cc3ccc(-c4nn[nH]n4)cc3C2)C1 1602690669 GLXQKGVEZYGSRX-ZDUSSCGKSA-N 324.344 -0.277 30 20 DBED N#Cc1sc(NC(=O)NCC(=O)NCC(=O)O)nc1Cl 1608224909 KCJICEZBJKWUBX-UHFFFAOYSA-N 317.714 -0.010 30 20 DBED N#CCC1(O)CN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 1609495105 UZFVFJTYRMXLDF-UHFFFAOYSA-N 302.254 -0.365 30 20 DBED C[C@H]1CN(CCC(=O)O)CCN1C(=O)Cn1cnc(C#N)n1 1609869298 WAVUHPSLMSSPOY-JTQLQIEISA-N 306.326 -0.843 30 20 DBED C[C@H](C(=O)N(C)CCC#N)N1CCN(C(C)(C)C(N)=O)CC1 1645593069 FHULJSQXWZEHIG-GFCCVEGCSA-N 309.414 -0.372 30 20 DBED Cn1cc(C(=O)NC[C@H](NCC(=O)NCC#N)C2CC2)cn1 1752450122 KGPGLMYKNSCVTQ-LBPRGKRZSA-N 304.354 -0.842 30 20 DBED CCN(CCNC(=O)Cc1cscn1)CC(=O)NCC#N 1753091056 HJBNDZSNLDXNKD-UHFFFAOYSA-N 309.395 -0.237 30 20 DBED CN(CCNCC(=O)NCC#N)C(=O)[C@@]1(C)C[C@H]2CC[C@H]1O2 1753190051 XJOGIDVLMMPQJV-JMSVASOKSA-N 308.382 -0.368 30 20 DBED C#CCN1CC[C@H](N(CCC)C(=O)[C@@H](C)NS(C)(=O)=O)C1 1753329153 VVOKYSUONGXHAV-OLZOCXBDSA-N 315.439 -0.130 30 20 DBED C=C(C)CN1CC(CNC(=O)Cn2ncn3nccc3c2=O)C1 1753411762 XMIYYYWCHXEJJY-UHFFFAOYSA-N 316.365 -0.485 30 20 DBED C#CCN1CCC(C(=O)NCC2CN(CC(=O)NCC)C2)CC1 1753416345 AGYDFACZMRNGOI-UHFFFAOYSA-N 320.437 -0.484 30 20 DBED C[C@H](NCC(=O)NCC#N)[C@@H]1CCCN(C(=O)CCN(C)C)C1 1753813136 GDUGLWGVQAGDGX-UONOGXRCSA-N 323.441 -0.205 30 20 DBED COCC#CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)CNC(=O)C(C)(C)C 1754431834 VORLXAGYOFKXSE-VNHYZAJKSA-N 321.421 -0.013 30 20 DBED CCn1ccnc1C(=O)N[C@@]1(C)CCN(CC(=O)NCC#N)C1 1754671548 DPBDLTPNZIFMST-HNNXBMFYSA-N 318.381 -0.263 30 20 DBED C[C@]1(CNCC(=O)NCC#N)CCN(C(=O)c2cncnc2)C1 1754693238 QRZJSEOQJBPAGM-OAHLLOKOSA-N 316.365 -0.442 30 20 DBED C[C@]1(CNC(=O)C[C@@H]2CC(=O)NC2=O)CCCN(CC#N)C1 1754735099 UVULPZCYDSJUBI-IAQYHMDHSA-N 306.366 -0.219 30 20 DBED C=C(C)CN1CC[C@](O)(CNC(=O)[C@H]2CN(CC)CCO2)C1 1754762400 OSHTVEHTIPLXAF-ZBFHGGJFSA-N 311.426 -0.164 30 20 DBED C#CCN[C@]1(CO)CCCN(C(=O)c2c[nH]c(C)cc2=O)C1 1755090826 QHJPCRHCSFCUKM-MRXNPFEDSA-N 303.362 -0.127 30 20 DBED C#CCN1CCC(CO)(NC(=O)c2cn(C)nc2COC)CC1 1755178382 ALSVANPQLCOCLS-UHFFFAOYSA-N 320.393 -0.244 30 20 DBED C[C@H](NC(=O)C1(C)CCOCC1)C1CN(CC(=O)NCC#N)C1 1755387314 HBCJTZHECOTRKX-LBPRGKRZSA-N 322.409 -0.121 30 20 DBED C#CCN[C@H](C)[C@@H]1CN(C(=O)c2nc(C)c(C)[nH]c2=O)CCO1 1755445103 PTHUEFIUGHRIQN-OLZOCXBDSA-N 318.377 -0.161 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@H](C)CN(C)C(=O)Cc1n[nH]c(C)n1 1755586953 SNPLDKKQWIGWRW-GHMZBOCLSA-N 322.413 -0.217 30 20 DBED C=CCN[C@@H](CO)CNC(=O)c1coc(S(C)(=O)=O)c1 1755629960 YYSJLENGPBIPBS-SNVBAGLBSA-N 302.352 -0.451 30 20 DBED C[C@H](C#N)C(=O)NCCOCCN(C)C(=O)CN1CCCC1 1756381971 VHQSQTKGWUWYBL-CYBMUJFWSA-N 310.398 -0.167 30 20 DBED C=CCCC(=O)NC[C@H](CO)NC(=O)C[C@@H]1CCCC(=O)N1 1756520504 XUXSKURJDYCXNN-NWDGAFQWSA-N 311.382 -0.395 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CC[C@@H](C)N(C(=O)Cn2ncnn2)C1 1756794587 YPRDLWQNXQWZQT-CHWSQXEVSA-N 318.381 -0.172 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C)C2)C[C@H]1C 1757063805 FNYBLARJLXXALX-JHJVBQTASA-N 323.393 -0.370 30 20 DBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccco1)CCO2 1833926751 OCBDPJVTAHBACY-INIZCTEOSA-N 318.329 -0.017 30 20 DBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)OC)C2)C1 1839810929 YHHUJDSNNVNWNH-IUODEOHRSA-N 310.350 -0.889 30 20 DBED CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCN(CC(N)=O)CC1 54978231 BAFGTTKWJSBQCQ-IUODEOHRSA-N 309.414 -0.468 30 20 DBED COCCN(CCC#N)CC(=O)N1CCN(C(=O)C2CC2)CC1 72689630 QSEFARBYEPOIHL-UHFFFAOYSA-N 322.409 -0.071 30 20 DBED CCn1c(N)c(C(=O)CN(CCC#N)CCC#N)c(=O)[nH]c1=O 153152453 VZAABBGZRRHGBT-UHFFFAOYSA-N 318.337 -0.549 30 20 DBED C#CCN(C)C(=O)[C@H](C)NS(=O)(=O)c1c(C)nn(C)c1C 191031694 WXWWPDZXYMDWFC-JTQLQIEISA-N 312.395 -0.205 30 20 DBED N#Cc1cccc(S(=O)(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)c1 268316723 DJMPBTMHULARAJ-JQWIXIFHSA-N 309.347 -0.131 30 20 DBED C=CC[C@H](CC)NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 281128880 TVLVEZGHOVDQGQ-JTQLQIEISA-N 319.365 -0.095 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@H](C)Cn1ccnc1 282858042 OHJQYIWQSOQQHY-GFCCVEGCSA-N 315.399 -0.032 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@H](C)Cn1cccn1 282896935 RCEZZEBCVAZWAN-GFCCVEGCSA-N 315.399 -0.032 30 20 DBED CO/N=C/C(=O)N1CCN(c2nccn3cnnc23)[C@@H](C)C1 289816594 NWMJNORRHNKGSZ-NPVNMOQSSA-N 303.326 -0.206 30 20 DBED COC(=O)[C@H](NS(=O)(=O)c1ccc(C#N)c(F)c1)[C@H](C)O 291600764 AAIJYRHXDZLVNC-WRWORJQWSA-N 316.310 -0.102 30 20 DBED CN1CCO[C@@H]2CN(C(=O)C/N=C(/O)c3cccnc3)C[C@H]21 330171127 XFZCXPWTYQOPJM-CHWSQXEVSA-N 304.350 -0.072 30 20 DBED C[C@@H](N/C(O)=N/CC(=O)N1CCCCC1)C(=O)NCCF 330406526 IGZMKAGICFNNPR-SNVBAGLBSA-N 302.350 -0.023 30 20 DBED N=C(O)[C@H]1CN(/C(O)=N/CCCN2CCOCC2)CCO1 330483253 ZCOHVXZXZSQBSQ-LLVKDONJSA-N 300.359 -0.141 30 20 DBED CN1CC[C@@H](N/C(O)=N/CCN2CCC(N(C)C)CC2)C1=O 330497524 ZULDSXNVCNAIIP-CYBMUJFWSA-N 311.430 -0.253 30 20 DBED C=CC[C@@H](CO)CNC(=O)C1CCN(S(N)(=O)=O)CC1 330714188 XHZMRDXFDYRGSP-SNVBAGLBSA-N 305.400 -0.797 30 20 DBED CC(C)NS(=O)(=O)CC/N=C(/O)N[C@H]1CCC(=O)N(C)C1 330884162 KMCNPOFNZVOEFJ-JTQLQIEISA-N 320.415 -0.561 30 20 DBED C[C@H](CNS(=O)(=O)N(C)CCC#N)N1CCN(C)CC1 330907733 NYGUBFUZKMSUAS-GFCCVEGCSA-N 303.432 -0.698 30 20 DBED C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccnn1C 330926871 WCMGKALTCIFVFG-SNVBAGLBSA-N 319.408 -0.216 30 20 DBED CC(C)(O)[C@@H]1CCCN1S(=O)(=O)N1CCO[C@@H](C#N)C1 336900549 BJFMTJQDRHZLJE-QWRGUYRKSA-N 303.384 -0.309 30 20 DBED CCN(CCC#N)S(=O)(=O)NC[C@@H]1CC[C@H](C(N)=O)O1 336947651 PPLWKSIBXGDEFB-VHSXEESVSA-N 304.372 -0.911 30 20 DBED CC(C)[C@H](C#N)NC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 343634090 FXDZZIHNCVBAMV-KBPBESRZSA-N 322.409 -0.169 30 20 DBED CC(C)[C@@H](C(=O)NCC(=O)NCC#N)N1C[C@@H](C)O[C@H](C)C1 344176463 HGFGTPVQEUINKY-BZPMIXESSA-N 310.398 -0.124 30 20 DBED COC(=O)[C@H]1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)[C@H]1C 344979737 GYEPCDVIFSTPOY-IUCAKERBSA-N 306.322 -0.657 30 20 DBED Cc1cc(NC(=O)CN(C)CC(=O)NC(C)C)nn1CCC#N 348795999 LMFRJWOEKOXWQB-UHFFFAOYSA-N 320.397 0.500 30 20 DBED CN(CC(=O)N1CCOCC1)S(=O)(=O)c1cncc(C#N)c1 352276422 VFOMBACHVDDHMS-UHFFFAOYSA-N 324.362 -0.567 30 20 DBED C=C(C)CN(C)C(=O)C(=O)N[C@@H](CC)C(=O)N1CCOCC1 360200771 TXYTZWAIONJRKW-LBPRGKRZSA-N 311.382 -0.226 30 20 DBED C=CCOC[C@H](NS(=O)(=O)Cc1ccon1)C(=O)OC 360622323 XCEYGROHNSPVSV-JTQLQIEISA-N 304.324 -0.162 30 20 DBED CS(=O)(=O)N1CCN(CC(=O)N[C@@H]2CC[C@H](C#N)C2)CC1 424963204 CLAGKLYFNFTNKJ-NWDGAFQWSA-N 314.411 -0.628 30 20 DBED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCn2ncnc2C1 430397229 AEALAXIPRKRKKA-DGCLKSJQSA-N 319.365 -0.282 30 20 DBED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCN(C)C[C@@H]2C)n1 440284508 NLMKVTSRHMCIPV-NSHDSACASA-N 318.381 0.437 30 20 DBED COc1ccc(C#N)cc1NC(=O)C(=O)N(C)[C@@H]1CCNC1=O 442256692 METPFDJOXMYDGQ-LLVKDONJSA-N 316.317 -0.148 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)CCc2cnn(C)c2)CC1 491125973 JHRRKDCOIVNBND-UHFFFAOYSA-N 317.393 -0.754 30 20 DBED COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC#CCO 497168300 MJDDNGHCIMTGQP-JTQLQIEISA-N 314.338 -0.445 30 20 DBED C[C@@H]1C[C@H](O)CN1C(=O)CNS(=O)(=O)c1cccc(C#N)c1 577112567 ZAIYABITYZUBJH-PWSUYJOCSA-N 323.374 -0.182 30 20 DBED CC(C)[C@H](C#N)NC(=O)c1nc(N)nc(N2CCOCC2)n1 593455986 YBOIVQHXMWJAJT-VIFPVBQESA-N 305.342 -0.432 30 20 DBED COC(=O)C[C@H](O)CNC(=O)C(=O)Nc1cccc(C#N)c1C 600058185 JBTHEAKSLSSRKY-NSHDSACASA-N 319.317 -0.155 30 20 DBED C[C@H]1CC[C@H](CNC(=O)C(=O)N2CCN(CCC#N)CC2)O1 602277921 HUXNMVFYYWXBSI-QWHCGFSZSA-N 308.382 -0.272 30 20 DBED CCN1C(=O)C(=NNC(=S)NCC(N)=O)c2ccccc21 727066607 SOMQVRYFWXACGK-UHFFFAOYSA-N 305.363 -0.293 30 20 DBED CN(CCS(C)(=O)=O)C(=O)C(=O)Nc1ccc(C#N)cc1 728144989 PPGHHPZPXYBFAN-UHFFFAOYSA-N 309.347 0.000 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)CCn2cccc2)CC1 746215257 LHDDNUCSHPACCA-UHFFFAOYSA-N 302.378 -0.228 30 20 DBED C#CCN1CCN(C(=O)CN2[C@H]3CC[C@H]2CC(=O)NC3)CC1 748824913 PUNANRZCBXAWCD-KBPBESRZSA-N 304.394 -0.883 30 20 DBED C#CCOCCNC(=O)NCCS(=O)(=O)NC(C)(C)C 784295826 QIWVYJATZWTCKS-UHFFFAOYSA-N 305.400 -0.347 30 20 DBED C#CCOCCNC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 784607161 OXKGHMUBIVMUEH-UHFFFAOYSA-N 309.347 -0.750 30 20 DBED CC[C@]1(C)NC(=O)N(NS(=O)(=O)c2cncc(C#N)c2)C1=O 810074947 AVNJNBAZPZTUCX-LBPRGKRZSA-N 323.334 -0.133 30 20 DBED CNC(=O)NCCC(=O)NS(=O)(=O)c1cncc(C#N)c1 813983345 QYPSVLPCYQVYKQ-UHFFFAOYSA-N 311.323 -0.923 30 20 DBED COc1cccc(NC(=S)NN=C2C(=O)NC(=O)NC2=O)c1 814213948 XMHGQLABWVLGBW-UHFFFAOYSA-N 321.318 -0.296 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)C2=COCCC2)CC1 831561174 PYTDFRNHQCRGTN-UHFFFAOYSA-N 313.379 -0.708 30 20 DBED C=CCS(=O)(=O)CCNC(=O)Nc1ccn(CC(=O)O)n1 833378939 XXHHLODNJCIQCU-UHFFFAOYSA-N 316.339 -0.310 30 20 DBED C#CCNC(=O)CN1CCN(Cc2cc(C)nc(C)n2)CC1 851751846 XBGNHRZCMWYLMA-UHFFFAOYSA-N 301.394 -0.040 30 20 DBED N#Cc1cccnc1NCCOC(=O)[C@H]1CC[C@@H](C(N)=O)O1 860524738 RQRIICXPLICPSX-WDEREUQCSA-N 304.306 -0.059 30 20 DBED C#C[C@H](NC(=O)NCCCN1CCC[C@H]1C(N)=O)[C@@H]1CCCO1 875507271 WVDJHYAYEBBXJN-IHRRRGAJSA-N 322.409 -0.194 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N(C)C[C@@H]1COCCO1 875598177 RWHBQNKJDRUOCT-CHWSQXEVSA-N 312.366 -0.595 30 20 DBED C=C[C@@H](O)C(=O)N1CCN(C[C@@H]2CCCS2(=O)=O)CC1 913125695 ZCVDPDJHMHIRSL-NWDGAFQWSA-N 302.396 -0.745 30 20 DBED C#CC[C@@H](CO)NC(=O)N[C@H]1CCN(C2CCN(C)CC2)C1 918912918 KGSJIXNDZGLYQC-KBPBESRZSA-N 308.426 -0.162 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](NC(=O)Cn2cncn2)C1 936120908 RZJMIIKULJBCKA-UPJWGTAASA-N 319.365 -0.414 30 20 DBED C=CCN1CC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C[C@H]1C 947324447 SMSFYLGWEFXCDM-GHMZBOCLSA-N 306.370 -0.468 30 20 DBED C#CCN1CC[C@H](NC(=O)Cn2ccc(O)nc2=O)C[C@H]1C 947509279 CLTSZGQJJLZLNR-NEPJUHHUSA-N 304.350 -0.449 30 20 DBED C#CCN1CC[C@@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)C[C@H]1C 947776488 WQDPATFQURJQKQ-GHMZBOCLSA-N 320.349 -0.991 30 20 DBED Cn1nncc1C(=O)NC[C@@H]1CCN1C(=O)c1cc(C#N)c[nH]1 949671579 BZQFJIAGINTFRP-JTQLQIEISA-N 313.321 -0.341 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H](NC(=O)c2cn(C)c(=O)n2C)C1 951869960 MBHAIVXDSUCXPZ-GHMZBOCLSA-N 319.365 -0.396 30 20 DBED CC#CCN1C[C@H](CNC(=O)c2c(C)nn(C)c2F)[C@@H](O)C1 958631812 XKWOEBDWOXPHBW-RYUDHWBXSA-N 308.357 -0.087 30 20 DBED Cc1cc(O)nc(C)c1C(=O)NC[C@@H]1CN(CC#N)C[C@@H]1O 958713560 DWPMCFDCUMUDGB-NEPJUHHUSA-N 304.350 -0.050 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2CN(C(=O)C(N)=O)C[C@@H]2C)cn1 959574402 YGMDLBUQGCFYAE-CMPLNLGQSA-N 314.345 -0.628 30 20 DBED CC#CCN1C[C@H]2C(NC(=O)[C@@H]3CCCN(C(N)=O)C3)[C@@H]2C1 960897302 KJGPUEGVQKPKOF-JHJVBQTASA-N 304.394 -0.153 30 20 DBED N#CCN1C[C@H]2C(NC(=O)c3ccc(OCC(N)=O)cc3)[C@@H]2C1 960918354 BTRBMICLCIBJMZ-CHWSQXEVSA-N 314.345 -0.266 30 20 DBED NC(=O)C1(C(=O)N2C[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]3C2)CC1 961540602 CXJGRUBZHFJDOK-BETUJISGSA-N 315.373 -0.418 30 20 DBED C#CCN1C[C@@H]2C(NC(=O)Cn3c(C)cc(C)nc3=O)[C@H]2C1 962155947 LVQYPTNBNKBHHW-STQMWFEESA-N 300.362 -0.460 30 20 DBED C#CCNC1CC2(C1)CC(NC(=O)CN1CC(=O)NC1=O)C2 965468366 IBLPGJSKKZRSLP-UHFFFAOYSA-N 304.350 -0.812 30 20 DBED C[C@H](C#N)C(=O)N1CC2(C[C@@H](NC(=O)c3cn(C)cn3)CO2)C1 965670508 SWASARWYBPEFGZ-GHMZBOCLSA-N 317.349 -0.321 30 20 DBED C#CCCN1CC[C@@H](C)[C@@H](NC(=O)Cn2ccc(O)nc2=O)C1 967268752 MHIMHODFEYQHDT-OLZOCXBDSA-N 318.377 -0.201 30 20 DBED C=CCn1cc(C(=O)N2CC[C@@H](NCc3cnon3)C2)nn1 970206599 ZHCAXAGSTWIMJI-SNVBAGLBSA-N 303.326 -0.149 30 20 DBED CC#CCN1CC([C@@H](C)NC(=O)c2cc(=O)n3[nH]cnc3n2)C1 970738259 UDCVTXRTPSEOQI-SNVBAGLBSA-N 314.349 -0.509 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)C(=O)N3CC[C@@H](C)C3)[C@H]2C1 977228907 ADEKKFVUQCPXHF-FHUSYTEZSA-N 318.377 -0.413 30 20 DBED Cc1nc2nccc(C(=O)NCC3[C@H]4CN(CC#N)C[C@H]34)n2n1 978941086 OZKNKOIMISKUDI-VXGBXAGGSA-N 311.349 -0.136 30 20 DBED C#CCN1C[C@H]2[C@H](CNC(=O)c3cccc(C(=O)NC)n3)[C@H]2C1 979008516 QSBPJVVOZLURFA-XYYAHUGASA-N 312.373 -0.018 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](CNC(=O)c2cnnc(O)c2)C1 983212612 QSFKMAKUNYHFNA-ZJUUUORDSA-N 303.322 -0.080 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCN(C(=O)CC(N)=O)[C@@H]2C)nn1 988063173 XOWKSEYIAKSOMG-ZJUUUORDSA-N 320.353 -0.941 30 20 DBED C[C@H]1C[C@@H](NCc2nc(=O)n(C)[nH]2)CN1C(=O)C#CC1CC1 988827289 RKHLAHCZACBDEY-CMPLNLGQSA-N 303.366 -0.399 30 20 DBED C#CCCN1CCCN(C(=O)c2nccnc2C(N)=O)CC1 989629461 FPXIIJIVBYXJHM-UHFFFAOYSA-N 301.350 -0.253 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](NC(=O)c2ccc(C(N)=O)[nH]2)[C@H]1C 990007995 UTIPBKYFVDTBDX-BBBLOLIVSA-N 317.349 -0.008 30 20 DBED C[C@]1(C(=O)N2CC(NC(=O)c3c[nH]c(C#N)c3)C2)CCNC1=O 990935339 MNKJDSWRRJFWQY-HNNXBMFYSA-N 315.333 -0.647 30 20 DBED CSCC(=O)N1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)[C@H](O)C1 991399880 HJZRJJOKYFNKBM-CMPLNLGQSA-N 322.390 -0.059 30 20 DBED O=C(Cn1ccnc1)N[C@@H]1CCN(C(=O)C#CC2CC2)C[C@H]1O 991561302 CMBSYSFPCOMBIG-ZIAGYGMSSA-N 316.361 -0.626 30 20 DBED C#CCN1CC[C@]2(NC(=O)C[C@H]3CC(=O)NC3=O)CCC[C@H]12 992543401 GPPGJLNSKHJTGA-BFQNTYOBSA-N 303.362 -0.214 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN(C(=O)c2cc(C)[nH]n2)C1 994753273 XWBNTBSDLKJFOB-AWEZNQCLSA-N 315.377 -0.244 30 20 DBED C#CCN1CC[C@@H](n2cc(CNC(=O)c3ccn(C)n3)nn2)C1 1000045355 PNBVNIZCKTYMHR-CYBMUJFWSA-N 313.365 -0.178 30 20 DBED C=CCn1cc(C(=O)N2CC(CNC(=O)[C@H]3CCCO3)C2)nn1 1000831541 XDRQXQDQURMOHZ-CYBMUJFWSA-N 319.365 -0.169 30 20 DBED C[C@@H](C#N)C(=O)N1CC([C@@H](C)NC(=O)c2cncnc2O)C1 1006299158 MMDQUGVZRFTRLB-DTWKUNHWSA-N 303.322 -0.081 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(C(=O)c2cnon2)CC1 1012171382 OXIXPSNOHJFQGF-PWSUYJOCSA-N 306.322 -0.055 30 20 DBED CN1C(=O)CC[C@H]1C(=O)NC1[C@H]2CN(C(=O)C#CC3CC3)C[C@H]12 1013586744 NMOKZIXGNZRHEG-AVGNSLFASA-N 315.373 -0.406 30 20 DBED C=CCN1CC[C@@H](N2CC[C@H](NC(=O)c3cnon3)C2)C1=O 1015877517 WHFQHDYSCULQRP-CMPLNLGQSA-N 305.338 -0.339 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(CN(C(=O)Cn3cncn3)C2)C1 1019460916 YHOMWDKMGZUMLL-NSHDSACASA-N 302.338 -0.501 30 20 DBED CC(C)(O)CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 1023428413 AVQLYKNUZOLATC-VXGBXAGGSA-N 320.349 -0.651 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1[C@@H]2CN([C@H]3CCNC3=O)C[C@@H]21 1025790828 UBRVRVXRIVUAJF-UMBPPFEGSA-N 319.405 -0.098 30 20 DBED Cn1nnc(CN2CCC[C@@H]2CNC(=O)c2ccc(C#N)[nH]2)n1 1027834058 VBNWQQLFHOUYMK-LLVKDONJSA-N 314.353 -0.196 30 20 DBED Cn1nnnc1CN1CCC[C@@H]1CNC(=O)c1ccc(C#N)[nH]1 1027834309 XFBDIDCBKRZTRW-LLVKDONJSA-N 314.353 -0.196 30 20 DBED CN(Cc1nnn(C)n1)C[C@H]1CCN(C(=O)C#CC2CC2)C1 1029734156 SMZIAEVIILXPLB-CYBMUJFWSA-N 302.382 -0.096 30 20 DBED C=CCCn1cc(C(=O)NC2CN([C@@H]3CCCNC3=O)C2)nn1 1031079003 ABOCBRHTDFTVNW-CYBMUJFWSA-N 318.381 -0.453 30 20 DBED C=CCn1cc(C(=O)N(C)[C@@H]2CCN([C@H]3CCNC3=O)C2)nn1 1033483596 JUVURVIXDBLEKB-YPMHNXCESA-N 318.381 -0.501 30 20 DBED C#CCCN1CCCC[C@H](NC(=O)CN2CCOCC2=O)C1 1034250667 OCOIVMYVBPEJKK-AWEZNQCLSA-N 307.394 -0.161 30 20 DBED C#CCN[C@H]1CC[C@H](NC(=O)CN2CC(=O)N(C)C2=O)CC1 1034779843 XLJLVWGWWUICEP-HAQNSBGRSA-N 306.366 -0.469 30 20 DBED C#CCOCCC(=O)NC[C@@]1(O)CCN(C(=O)c2ccc[nH]2)C1 1039719526 WJQJDAAOPAOXMD-INIZCTEOSA-N 319.361 -0.252 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@]1(O)CCN(C(=O)c2cc[nH]n2)C1 1039722208 TUFDHTRFVNVNHL-NHYWBVRUSA-N 320.349 -0.859 30 20 DBED C=CCCC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2CCC(=O)NC2)C1 1040255377 IUISKUIRNSSUFU-MLGOLLRUSA-N 323.393 -0.442 30 20 DBED C[C@@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)Cc2ccn(C)n2)C1 1040759494 BMVDWCWYMZFQAN-XHDPSFHLSA-N 319.365 -0.798 30 20 DBED C[C@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)c2cncs2)C1 1040762854 MFKKMSFLXSZBFF-NOZJJQNGSA-N 308.363 -0.004 30 20 DBED C=CCN1CCC2(CC1)CCN(C(=O)CN1CCNC(=O)C1)C2 1040801150 RHOHXEGPICDKNP-UHFFFAOYSA-N 320.437 -0.081 30 20 DBED N#Cc1nccnc1N1C[C@@H](O)[C@H](NC(=O)c2ncccn2)C1 1041136680 FUNBEUHNZVVZTF-GHMZBOCLSA-N 311.305 -0.882 30 20 DBED COC1CC(C(=O)N[C@@H]2CN(c3cnc(C#N)cn3)C[C@H]2O)C1 1041212733 VWXBWNSROHUXIA-VYKQGROPSA-N 317.349 -0.561 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(O)(CNC(=O)c2ccnn2C)C1 1041898039 ULOBZERPSDVBLY-CQSZACIVSA-N 322.365 -0.950 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)[C@@H](C)C2CC2)C1 1042378674 YDQSFUAWZTUZPO-NWDGAFQWSA-N 308.378 -0.240 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)[C@H]2CCC(=O)N2C)C1 1042804992 IABQQHGKVQOJJC-GFCCVEGCSA-N 321.377 -0.900 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(O)CN(C(=O)CCSC)C1 1042808809 DRHPXQLRXAUUNT-ZDUSSCGKSA-N 316.423 -0.244 30 20 DBED CCn1cccc1C(=O)NCC1(O)CN(C(=O)[C@H](C)C#N)C1 1043136093 FPOYKPANHKMOAE-LLVKDONJSA-N 304.350 -0.029 30 20 DBED C=CCN1CC(N(C)C(=O)CN2CCCCS2(=O)=O)C1 1043362167 QAQIZSZTTYFNJV-UHFFFAOYSA-N 301.412 -0.259 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)C[C@H]2CCCOC2)C1 1045554991 MJWWYXLCWJTBQE-VXGBXAGGSA-N 309.366 -0.348 30 20 DBED N#CCN1CC[C@]2(CCCCN(C(=O)Cn3cnnn3)C2)C1 1045912497 FXOJQVVYAFRFOS-CQSZACIVSA-N 303.370 -0.099 30 20 DBED C=CCN1CCC(F)(F)[C@H](CNC(=O)[C@H]2CNC(=O)N2)C1 1046968512 IHJYIWGSOXMHRO-NXEZZACHSA-N 302.325 -0.073 30 20 DBED N#Cc1ccc(N[C@H]2C[C@H](CNC(=O)[C@@H]3CNC(=O)N3)C2)nn1 1047009768 SNRWLMCTRRLNQG-LSJOCFKGSA-N 315.337 -0.664 30 20 DBED C#CCOCCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC(N)=O)C2 1047531971 UZWNCIOMGJKECE-AVGNSLFASA-N 321.377 -0.603 30 20 DBED CC(C)C#CC(=O)N(C)[C@H]1CN(C(=O)CCN(C)C)C[C@@H]1O 1048813844 NZXBBOFKCFMLDN-KBPBESRZSA-N 309.410 -0.372 30 20 DBED CN(C(=O)C#CC1CC1)[C@H]1CN(C(=O)[C@@H]2CCCCO2)C[C@@H]1O 1048821340 KMFDBIARDVTPFS-KKUMJFAQSA-N 320.389 -0.001 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cn2ccnc2)C1 1049031469 WVZCVNPJKQSPIL-STQMWFEESA-N 322.365 -0.884 30 20 DBED Cc1c(C(=O)NC[C@H]2COCCN2CC#N)nn2c1OCCC2 1050947188 QCIQSIMPAIVMNG-LBPRGKRZSA-N 319.365 -0.072 30 20 DBED N#CCN1CCOC[C@H]1CNC(=O)c1cc2ncccn2n1 1051179030 PVQBMRNKOJPIRF-LLVKDONJSA-N 300.322 -0.317 30 20 DBED CC#CCN1CCOC[C@@H]1CNC(=O)c1ccc(C(N)=O)nc1 1051268125 GJHZZPVNKDCUOX-ZDUSSCGKSA-N 316.361 -0.366 30 20 DBED C=CCN1CCOC[C@H]1CNC(=O)c1cc(C(N)=O)ccn1 1051273505 OWAUVOBEBIBKAM-GFCCVEGCSA-N 304.350 -0.203 30 20 DBED C#CCCN1CCN([C@H]2CCN(C(=O)c3[nH]nnc3C)C2)CC1 1052060507 FWVOBVZOSYCFPL-AWEZNQCLSA-N 316.409 -0.031 30 20 DBED C=CCn1cc(C(=O)N2CCOC3(CN(CCF)C3)C2)nn1 1053463790 OJXJLZTYZBGFJW-UHFFFAOYSA-N 309.345 -0.040 30 20 DBED N#CCN1CC2(C1)CN(C(=O)[C@H]1CCCS1(=O)=O)CCO2 1053539270 QFZPRVADNZFAIK-LLVKDONJSA-N 313.379 -1.000 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)[C@@H](C)n3cncn3)CO2)C1 1053782026 BIIUAGQJIMKHAF-CHWSQXEVSA-N 303.366 -0.178 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)c3cnnc(O)c3)CO2)C1 1053841778 QYPWZOHCXSKSIM-GFCCVEGCSA-N 302.334 -0.221 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)C[C@@H]3CCCC(=O)N3)CO2)C1 1053866206 VEQCXIIMVGCNRE-RYUDHWBXSA-N 306.366 -0.472 30 20 DBED CC(C)C#CC(=O)N[C@@]1(CO)CCCN(C(=O)c2cnn[nH]2)C1 1055934255 AOCKNLQMOFESTN-HNNXBMFYSA-N 319.365 -0.453 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)c1cnccn1 1056834277 WFZVTUXJLPZQCK-UHFFFAOYSA-N 304.350 -0.313 30 20 DBED N#Cc1ccc(N2CCCN(C(=O)[C@H]3COCCO3)CC2)nn1 1057091368 AMTQTIBDAVNYTK-CYBMUJFWSA-N 317.349 -0.198 30 20 DBED N#Cc1nccc(N2CCCN(C(=O)Cn3cnnn3)CC2)n1 1057092851 BLGJTVBKWAATOD-UHFFFAOYSA-N 313.325 -0.926 30 20 DBED CCn1ccc(C(=O)NCCN(CCO)C(=O)C#CC2CC2)n1 1057536043 JWFZTBDUHGTGIM-UHFFFAOYSA-N 318.377 -0.133 30 20 DBED N#Cc1cnc(N2CC[C@@H](NC(=O)C3=COCCO3)C2)cn1 1058277065 XNLNGRWGVZEMKP-SNVBAGLBSA-N 301.306 -0.069 30 20 DBED C=CC(C)(C)C(=O)N(CCO)CCNC(=O)CS(C)(=O)=O 1058300737 QIDROFVERJAAID-UHFFFAOYSA-N 320.411 -0.820 30 20 DBED C=CCOCC(=O)N1CC[C@H](CCNC(=O)[C@H]2CCNC2=O)C1 1059337615 MAQSKUIREUDKTN-QWHCGFSZSA-N 323.393 -0.320 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1C[C@@H](NC(=O)CN2CCOCC2)C1 1059600579 BDKWGXWJUIOKNJ-OKILXGFUSA-N 315.377 -0.234 30 20 DBED C#Cc1ccc(C(=O)NCC[C@H]2CCN(C(=O)C(N)=O)C2)cn1 1060271200 JEKPTKFPVXKNDO-NSHDSACASA-N 314.345 -0.483 30 20 DBED N#Cc1cncc(NC[C@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)C2)n1 1060972075 CJIMZOUABXCPFF-KOLCDFICSA-N 315.337 -0.710 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H]1COCCN1C(=O)COCC 1061582098 YRTXQSXGCHBPNF-OLZOCXBDSA-N 312.366 -0.595 30 20 DBED Cn1cnc(C(=O)NC[C@@H]2CCN(c3ccnc(C#N)n3)C2)n1 1061583154 QIOFIAYOUFCSPY-JTQLQIEISA-N 312.337 -0.267 30 20 DBED CN(C(=O)[C@@H]1CCNC1=O)[C@@H]1CCN(c2cnc(C#N)cn2)C1 1063004266 CLCXUKVLHHOKAQ-VXGBXAGGSA-N 314.349 -0.479 30 20 DBED COCC(=O)N(C)CC(=O)NCC1(NC(=O)[C@H](C)C#N)CCC1 1063327965 VCVIPZKBDDTTPW-LLVKDONJSA-N 324.381 -0.594 30 20 DBED C=CCO[C@H](C)C(=O)NC1(CNC(=O)[C@H]2C[C@H]2C(N)=O)CCC1 1064566512 GPWHIVUBIJDRMI-UTUOFQBUSA-N 323.393 -0.146 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)CNC(=O)CC)CCO1 1064982683 INLUARGDBQRRCF-ZDUSSCGKSA-N 323.393 -0.340 30 20 DBED CC(C)C#CC(=O)N1CCO[C@@H](CNC(=O)[C@H]2CCN(C)C2)C1 1065132361 DANYCCSEBCICRV-GJZGRUSLSA-N 321.421 -0.059 30 20 DBED CNC(=O)CC(=O)NC[C@@H]1CN(C(=O)C#CC(C)(C)C)CCO1 1065140914 VBLPYVUVKCUQPC-GFCCVEGCSA-N 323.393 -0.484 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CN(C(=O)c2cncn2C)CCO1 1065314756 YQDPOXRVWHEFQM-MNOVXSKESA-N 305.338 -0.463 30 20 DBED C=C[C@](C)(O)CC(=O)N(C)CCCN(C)C(=O)CNC(N)=O 1066768992 LTEJQFIXVJDLKR-AWEZNQCLSA-N 314.386 -0.711 30 20 DBED Cc1cc(C#N)nc(N2CC[C@H](NC(=O)C(N)=O)[C@H](C)C2)n1 1067429146 GCSFVTRTGUOIRV-KCJUWKMLSA-N 302.338 -0.527 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCCN(C)C(=O)C[C@H]1CC(=O)NC1=O 1067767177 KDBRILAZHQRSOD-WDEREUQCSA-N 322.365 -0.494 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(C[C@@H](NC(=O)CC3(O)CCC3)CO2)C1 1068854554 DUVDPKCMFURHGF-NWDGAFQWSA-N 321.377 -0.063 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1COC2(C1)CN(C(=O)[C@@H]1[C@H]3COC[C@H]31)C2 1069007623 IMNJJLKYRCBJCQ-OBPIAQAESA-N 319.361 -0.475 30 20 DBED C[C@]1(C(=O)N2C[C@H](n3ccnn3)[C@H](NCC#N)C2)CCCOC1 1070304162 NPLYTDWBWSCPSQ-IPYPFGDCSA-N 318.381 -0.040 30 20 DBED C=CCN[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)C[C@H]1c1cn(C)cn1 1070528108 VOWWOTNMAZCADC-DMDPSCGWSA-N 318.381 -0.829 30 20 DBED C#CCCN1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)C(N)=O)n1 1070598295 XJSVZEQLVONLQU-RYUDHWBXSA-N 319.365 -0.581 30 20 DBED C[C@@H](C(=O)N1C[C@@H]2C[C@@H]3CN(CC#N)C[C@]2(C1)O3)n1cncn1 1070789578 CXFIWKLMKCBUQV-RMRHIDDWSA-N 316.365 -0.336 30 20 DBED C=CCN1C[C@H]2C[C@@H]3CN(C(=O)C(C)(C)C(N)=O)C[C@@]3(C1)O2 1070812894 BOXVVUZXRCCOHY-XHBSWPGZSA-N 307.394 -0.014 30 20 DBED C=CCCOCC(=O)N[C@@H]1CCCN(C(=O)C2(C(N)=O)CC2)C1 1071219557 WVLPOZYBXBVBBS-GFCCVEGCSA-N 323.393 -0.048 30 20 DBED C#CCCCC(=O)N[C@H]1CN(C(=O)Cn2cnnn2)C[C@H]1C 1071558104 VQMSUYOKUCZPSE-NEPJUHHUSA-N 304.354 -0.560 30 20 DBED CNC(=O)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 1071968290 UVGHVMFHMHVUOR-SKDRFNHKSA-N 317.349 -0.401 30 20 DBED CC(=O)N(C)CC(=O)N[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1C 1072047183 AUGANRCANXTBHI-RISCZKNCSA-N 305.378 -0.159 30 20 DBED C#CCOCCC(=O)N1C[C@H](C)[C@H](NC(=O)Cn2ccnc2)C1 1072094606 UXWVCGYBIBGRAP-UONOGXRCSA-N 318.377 -0.114 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@@H]1C 1072636067 LFQZISLTCOZVPD-WDEREUQCSA-N 309.366 -0.582 30 20 DBED CC#CCN1C[C@@H]2CCN(C(=O)[C@@H]3CCS(=O)(=O)C3)[C@@H]2C1 1076010181 LZADEGKDVIEVLD-BFHYXJOUSA-N 310.419 -0.023 30 20 DBED C#Cc1ccc(C(=O)N[C@@H](C)CCNC(=O)CC(=O)NC)nc1 1076252398 UUAZYKOVUSNFGS-NSHDSACASA-N 316.361 -0.176 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H](C)CCNC(=O)c1cn(C)nn1 1076368801 TUOAEVXKCRNQLG-WDEREUQCSA-N 307.354 -0.522 30 20 DBED C#CCO[C@H](C)C(=O)NCC[C@H](C)NC(=O)C(=O)NCC1CC1 1076509203 RAXWMQHXUUIZBE-NWDGAFQWSA-N 323.393 -0.438 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2cc3c(cn2)OCCO3)C1 1077149689 SVFHHLBERVCPDO-GHMZBOCLSA-N 304.306 -0.849 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CN3CC4CC3(CO2)C4)C1 1077418510 SBNQDGIUGYYBLD-QJNCVLDKSA-N 319.405 -0.966 30 20 DBED C=CC(C)(C)C(=O)NCC[C@H](C)NC(=O)CN1CCNC(=O)C1 1077740862 GIABQGYMXZKSLT-LBPRGKRZSA-N 324.425 -0.359 30 20 DBED C[C@@H](CCNC(=O)c1cc(C(N)=O)c[nH]1)NC(=O)[C@@H](C)C#N 1078043249 QQMHRPXTVHXEBH-IUCAKERBSA-N 305.338 -0.102 30 20 DBED C[C@@H](CCNC(=O)[C@@H](C)C#N)NC(=O)[C@@H]1CCCN1C(N)=O 1078135092 PWYAGVGLSSIZNI-DCAQKATOSA-N 309.370 -0.300 30 20 DBED C#CCN[C@@H]1C[C@H](NC(=O)Cn2ncn(C)c2=O)C12CCC2 1078663228 JUQAUCQKLZTVKR-NEPJUHHUSA-N 303.366 -0.768 30 20 DBED C=CCOCC(=O)N1CCC(CO)(NC(=O)c2ncc[nH]2)CC1 1080848675 VCPWBSKDZWVDMO-UHFFFAOYSA-N 322.365 -0.304 30 20 DBED CO[C@@H]1CN([C@@H](C)C(N)=O)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 1081540542 HGJNRVBXYPFYPZ-XXILOJSOSA-N 305.338 -0.811 30 20 DBED CO[C@@H]1CN([C@H]2CCNC2=O)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 1081552546 PHTLKMPFBVLDFE-FRRDWIJNSA-N 317.349 -0.796 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1ccnc2ccnn12 1081788771 ZOEVBHLLCZNTAJ-ZYHUDNBSSA-N 300.322 -0.318 30 20 DBED C=CCN1C[C@@H](NC(=O)[C@@H]2CCCS2(=O)=O)[C@H](OC)C1 1082377460 QLVVINPIVWNRKX-UTUOFQBUSA-N 302.396 -0.435 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)c2cn3c(n2)COCC3)C1 1083569240 IRFWZQNLGCIGPD-YPMHNXCESA-N 306.366 -0.236 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN(CCn3cncn3)C[C@@H]2O)C1 1083763417 JOHUAINTGFDADE-OLZOCXBDSA-N 305.382 -0.204 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](NC(=O)CN2C(=O)CN(C)C2=O)C1 1084035956 KBINDPLNDUDEAB-NEPJUHHUSA-N 324.381 -0.992 30 20 DBED N#CCN1CC[C@@H]2CN(C(=O)CC[C@H]3NC(=O)NC3=O)C[C@@H]2C1 1088194795 XDIUVRQRSFBDAV-GRYCIOLGSA-N 319.365 -0.722 30 20 DBED C=CCN[C@@H]1CCCCCN(C(=O)c2cn(CC(N)=O)nn2)C1 1088430641 UWPBORHOFPEXAR-GFCCVEGCSA-N 320.397 -0.076 30 20 DBED COCCN1C[C@@H](C(=O)N[C@H]2CCN(CC#N)[C@@H]2C)CC1=O 1088602077 VUMYHGQNUPVDMW-AGIUHOORSA-N 308.382 -0.416 30 20 DBED CC(=O)Nc1ccc(C(=O)N[C@H]2CCN(CC#N)C[C@H]2O)nc1 1090314360 ZXMKSJUYNHKCSK-GXTWGEPZSA-N 317.349 -0.271 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cnn3c2OCCC3)[C@@H](O)C1 1090396275 IHPHYEMYBQNZTJ-STQMWFEESA-N 304.350 -0.536 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(c2cc(C)nc(C)n2)C[C@H]1O 1090488344 HDAARINYMXYDOV-MRVWCRGKSA-N 318.377 -0.203 30 20 DBED CCCn1nc(C(=O)N[C@@H]2CCN(CC#N)C[C@@H]2O)ccc1=O 1090797121 UIDWGVHDKQSASS-YPMHNXCESA-N 319.365 -0.658 30 20 DBED N#CCN1CC[C@H](NC(=O)Cc2ccc(C(N)=O)cc2)[C@@H](O)C1 1090840491 APHULRLPPLHWAA-KBPBESRZSA-N 316.361 -0.597 30 20 DBED C[C@H](NC(N)=O)C(=O)NC[C@H]1C[C@@H](Nc2cnc(C#N)cn2)C1 1091339316 BFNUPJSYXCLYOW-LPEHRKFASA-N 317.353 -0.288 30 20 DBED CC(=O)NCC(=O)N[C@H]1CCN(c2ccc(C#N)nn2)[C@@H]1C 1091926824 WGJONERBXWSQKW-SKDRFNHKSA-N 302.338 -0.432 30 20 DBED Cc1nn[nH]c1C(=O)N[C@H]1CC2(CN(CC#N)C2)n2ccnc21 1092387510 XRDAEXMETKCCEJ-JTQLQIEISA-N 312.337 -0.281 30 20 DBED CNC(=O)NCCC(=O)N1CCN(c2ccncc2C#N)CC1 1093153797 MFKRPOXHOAOBQN-UHFFFAOYSA-N 316.365 -0.079 30 20 DBED COC(=O)[C@@H]1C[C@@H]1C(=O)NCCNc1nc(C)cc(C#N)n1 1093518166 JUSNXHKTSMHTDW-WDEREUQCSA-N 303.322 -0.006 30 20 DBED Cc1nsc(NCCNC(=O)C[C@H]2CC(=O)NC2=O)c1C#N 1093717958 ZNRZKQODNYSTBJ-QMMMGPOBSA-N 321.362 -0.096 30 20 DBED N#Cc1ccc(NCCNC(=O)[C@@H]2CCCS(=O)(=O)C2)nn1 1093867140 PQZPTWRDOBTSQJ-SNVBAGLBSA-N 323.378 -0.299 30 20 DBED CCN1CCOC[C@H]1C(=O)NCCNc1cncc(C#N)n1 1093978131 YKELGEGFVKRZTL-LBPRGKRZSA-N 304.354 -0.403 30 20 DBED N#Cc1cnc(NCCNC(=O)[C@H]2CC[C@@H](C(N)=O)C2)cn1 1094142491 IZILVAZXOIZFBV-ZJUUUORDSA-N 302.338 -0.222 30 20 DBED C#CCCN1CC(n2cc(CNC(=O)[C@@H]3CCCO3)nn2)C1 1094272702 CTIZJUAALWUYGX-AWEZNQCLSA-N 303.366 -0.047 30 20 DBED N#Cc1nc(=NCCCNC(=O)CC2OCCCO2)cc[nH]1 1094379326 SBUMWWNDMLCGLM-UHFFFAOYSA-N 305.338 -0.159 30 20 DBED CCN1CCO[C@H](C(=O)NCCCN=c2cc[nH]c(C#N)n2)C1 1094447344 SJQDNAXNBZCPQF-LBPRGKRZSA-N 318.381 -0.591 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)[C@H]3OCCO[C@H]3C)CC2=O)C1 1094747026 HJZKAGSWPKUANU-ZOWXZIJZSA-N 323.393 -0.622 30 20 DBED CN1CC[C@@H](C(=O)NCCCN=c2cc[nH]c(C#N)n2)CC1=O 1094879846 LDBLUOYDJMMGPD-LLVKDONJSA-N 316.365 -0.443 30 20 DBED CC(=O)N[C@H](C)C(=O)N1CCCN(c2cnc(C#N)cn2)CC1 1095160894 AUKWBVVBRRKHSZ-LLVKDONJSA-N 316.365 -0.088 30 20 DBED CN(CCCNC(=O)[C@@H]1CC[C@@H]1C(N)=O)c1ccc(C#N)nn1 1095697237 ZYWAYDOQRBROGU-NWDGAFQWSA-N 316.365 -0.198 30 20 DBED CCN(CCCNC(=O)c1nnn(C)n1)c1cnc(C#N)cn1 1095944943 CUAYRPOIZBJYHU-UHFFFAOYSA-N 315.341 -0.482 30 20 DBED N#Cc1nccnc1N1CCC[C@H](NC(=O)C2(C(N)=O)CC2)C1 1096227820 APUSNLUASXLBJC-JTQLQIEISA-N 314.349 -0.301 30 20 DBED CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCN(c2cnc(C#N)cn2)C1 1096317573 VVWNQNGNLUYHKK-GXSJLCMTSA-N 302.338 -0.432 30 20 DBED N#Cc1nccnc1N[C@@H](CNC(=O)[C@H]1CCNC1=O)C1CC1 1096784202 XHYDLPXCBWNLQR-JQWIXIFHSA-N 314.349 -0.209 30 20 DBED C[C@H](CNC(=O)CN1CC(=O)NC1=O)Nc1ncccc1C#N 1098008558 QZGNQMHJFIDQDY-SECBINFHSA-N 316.321 -0.578 30 20 DBED C#CCNCc1cn([C@@H]2CCN(C(=O)c3cncnc3)C2)nn1 1098660105 XOMZPXXXHSKRLG-CQSZACIVSA-N 311.349 -0.122 30 20 DBED C[C@H](CCNC(=O)[C@H]1CCC(=O)N1)Nc1cncc(C#N)n1 1098930998 XYJAMWMOCLKSKE-MWLCHTKSSA-N 302.338 -0.066 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@@H]2COCCN2C)C[C@H]1C(F)(F)F 1099240702 PLEKVBTYODKQJR-UTUOFQBUSA-N 319.327 -0.071 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)c2ccco2)[C@H](O)C1 1099622603 AQGKQTQVBFFTMJ-NWDGAFQWSA-N 305.334 -0.806 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CC(CNC(=O)c2cnnn2C)C1 1100290515 BXUUQBQFLPBKQZ-VOMCLLRMSA-N 318.381 -0.949 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)[C@@H](CC)N(C)C)C1 1100442329 BLNRACLELIHDMB-JXQTWKCFSA-N 308.426 -0.440 30 20 DBED N#CCN1CC[C@@H](Oc2ccnc(CNC(=O)CC(N)=O)c2)C1 1101092823 YITFGDTYNBPOTG-CYBMUJFWSA-N 317.349 -0.450 30 20 DBED C#CCCCC(=O)N1C[C@H]2CN(CC(=O)NC(N)=O)C[C@@]2(C)C1 1101216467 DWFFQMIWQXPJGZ-WBMJQRKESA-N 320.393 -0.235 30 20 DBED N#Cc1ccc(N(CCNC(=O)Cn2nccn2)C2CC2)nn1 1101395488 VELWHQGAJBFVID-UHFFFAOYSA-N 312.337 -0.275 30 20 DBED CN(CCNc1nccnc1C#N)C(=O)[C@H]1CCCNC1=O 1101815058 NHDGIRANJZQNNC-JTQLQIEISA-N 302.338 -0.255 30 20 DBED C[C@@H](C(=O)N(C)CCNc1cncc(C#N)n1)S(C)(=O)=O 1102032478 KESWAFFASZZSQG-VIFPVBQESA-N 311.367 -0.348 30 20 DBED C[C@@H](CNC(=O)C1CS(=O)(=O)C1)CNc1nccnc1C#N 1104096424 IUBKVVRNEZNUNY-SECBINFHSA-N 323.378 -0.443 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H]1CN(c2ncc(F)cn2)CCO1 1104330440 PFTUQUYQKLMXBR-AAEUAGOBSA-N 322.340 -0.025 30 20 DBED C[C@H]1CN(C(=O)CNC(N)=O)CC[C@H]1Nc1cncc(C#N)n1 1105029918 KJPUNGUUYGKAKM-GXSJLCMTSA-N 317.353 -0.335 30 20 DBED Cc1cc(C#N)nc(N(C)CCN(C)C(=O)[C@H]2CCC(=O)N2)n1 1105352374 OKEXWVWSIFPGBQ-GFCCVEGCSA-N 316.365 -0.170 30 20 DBED Cc1c[nH]nc1C(=O)NC[C@@H](O)CNc1cncc(C#N)n1 1105825348 CGFLCIIVZONYLX-JTQLQIEISA-N 301.310 -0.417 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)Cn2nccn2)nc1 1105985840 SHMBUPLRPKDZNK-LLVKDONJSA-N 301.310 -0.866 30 20 DBED Cc1cocc1C(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1 1106046563 CORLLZPZCWRHST-SNVBAGLBSA-N 301.306 -0.126 30 20 DBED N#Cc1c(F)cccc1NC[C@@H](O)CNC(=O)[C@@H]1CNC(=O)N1 1106088289 CQXBPLAGAGEFSU-PELKAZGASA-N 321.312 -0.732 30 20 DBED CNC(=O)CCCC(=O)N[C@@H](C)CCN=c1cc[nH]c(C#N)n1 1106286817 AEISTPGLGCQNFD-NSHDSACASA-N 318.381 -0.007 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)[C@]2(C)CNC(=O)C2)C[C@H]1C 1106465588 PGJJZKSKQQIRJC-CPUCHLNUSA-N 321.421 -0.154 30 20 DBED N#Cc1nccnc1NC/C=C/CNC(=O)[C@@H]1CC[C@@H]1C(N)=O 1107451912 NQBGMNDOPMQQMH-ATOIVCMTSA-N 314.349 -0.056 30 20 DBED C#CCNC(=O)CC(=O)NC[C@]1(C)CN(CC(=C)C)CCO1 1107884197 GESQAPCFEDUQIM-MRXNPFEDSA-N 307.394 -0.091 30 20 DBED C[C@H](CNc1ccc(C#N)nn1)NC(=O)CN1CCOCC1=O 1108180055 YSFFYBPCJKLGNF-SNVBAGLBSA-N 318.337 -0.876 30 20 DBED C#CCCN1CC(N2C[C@H](NC(=O)[C@H](OC)C3CC3)CC2=O)C1 1108538509 JENPRSBJFUSZHP-CZUORRHYSA-N 319.405 -0.164 30 20 DBED C[C@@H](CN(C)c1ccc(C#N)nn1)NC(=O)C1CS(=O)(=O)C1 1109117429 YTVJJWRYIAAKHH-VIFPVBQESA-N 323.378 -0.666 30 20 DBED C#CCCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN(C)S(C)(=O)=O 1109366535 SUWIAZPXDFXAMG-AGIUHOORSA-N 313.423 -0.377 30 20 DBED CO[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N)C1CC1 1110516139 LLLPOAQHPJURQQ-GUIRCDHDSA-N 320.393 -0.227 30 20 DBED CCOCC(=O)NC[C@@]1(O)CCN(c2nc(C)cc(C#N)n2)C1 1111023049 UUCWQAODSMCVGJ-HNNXBMFYSA-N 319.365 -0.249 30 20 DBED CCOCC(=O)N(C)[C@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1111169822 LCLXYNIUDHVFGY-RYUDHWBXSA-N 305.338 -0.607 30 20 DBED C=CCOCCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCn1cnnn1 1111181734 KEQIRHNYNZDMFQ-MCIONIFRSA-N 320.397 -0.013 30 20 DBED N#Cc1cncc(NCCN(CCO)C(=O)c2ccncn2)n1 1111499957 ICVPOEONYVCFLT-UHFFFAOYSA-N 313.321 -0.315 30 20 DBED COC[C@@H](OC)C(=O)N(CCO)CCNc1ncccc1C#N 1111556098 RPFCLJNABJXWLU-CYBMUJFWSA-N 322.365 -0.153 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1COCCN1c1cnc(C#N)cn1 1111663487 WSJTVNSWETUBIK-JQWIXIFHSA-N 300.322 -0.171 30 20 DBED CCOCC(=O)NC[C@H]1CN(c2cnc(C#N)cn2)C[C@H]1O 1112693293 ZTARJJLGUMQBCZ-CMPLNLGQSA-N 305.338 -0.702 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 1112964919 CIECCJBAWAKLQO-UKRRQHHQSA-N 320.437 -0.391 30 20 DBED CO[C@H]1CCC[C@@H](C(=O)N2CCN(CC(=O)NCC#N)CC2)C1 1113270256 IEZXANVTRSIZFY-KGLIPLIRSA-N 322.409 -0.024 30 20 DBED C[C@H](NC(=O)C1(C(N)=O)CC1)[C@H](C)Nc1cnc(C#N)cn1 1113274849 WHSYEFOWCSRAFK-IUCAKERBSA-N 302.338 -0.081 30 20 DBED C[C@H](CNC(=O)[C@]1(C)CCC(=O)N1)N(C)c1cncc(C#N)n1 1113867078 MASLFZFLUCNNOX-BMIGLBTASA-N 316.365 -0.042 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)c3cc[nH]n3)[C@H]2C1 1113893969 QFCNHRSNVRXHHP-MEWQQHAOSA-N 303.366 -0.240 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)C[C@H]3CCCCO3)[C@H]2C1 1114117462 PNIVOFYZKNBXMF-WVZRYYJFSA-N 319.405 -0.259 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)C(C)(C)C(N)=O)[C@@H]2C1 1114440762 WKDLXAHQBKFTJF-HBNTYKKESA-N 322.409 -0.765 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)C3(CF)CCC3)[C@H]2C1 1114865397 WDCPEGQWPZAXQO-IMRBUKKESA-N 307.369 -0.078 30 20 DBED C=C(C)CCN1C[C@H]2[C@H](NC(=O)C[C@H](NC(C)=O)C(N)=O)[C@H]2C1 1114932287 HXTLLKSKNBNDDA-SFDCQRBFSA-N 322.409 -0.621 30 20 DBED CC#CCN1C[C@H]2C(NC(=O)CNC(=O)c3cscn3)[C@@H]2C1 1115083677 PJEGXSBYSJLWTJ-GHMZBOCLSA-N 318.402 -0.057 30 20 DBED C=CCCOCC(=O)NC1[C@@H]2CN([C@H](C)C(=O)NC(N)=O)C[C@@H]12 1115329782 AUVXCZIOMBAMNC-GMTAPVOTSA-N 324.381 -0.791 30 20 DBED CN(C(=O)CC(N)=O)[C@H](CNc1ccc(C#N)nn1)C1CC1 1115486775 NQDNSXBTDVJVBA-LLVKDONJSA-N 302.338 -0.127 30 20 DBED C=C[C@H](CO)NC(=O)C(=O)Nc1ccc(CCC(N)=O)cc1 1118539731 YJJFGNDEGOSXFY-LLVKDONJSA-N 305.334 -0.294 30 20 DBED C=CCn1cc(CNC(=O)C(=O)Nc2cnn(CCF)c2)nn1 1118933973 MFXRFCLHQLBDEF-UHFFFAOYSA-N 321.316 -0.115 30 20 DBED C#CCN(C)c1nnnn1CCS(=O)(=O)NC(C)(C)C 1120217154 MHZKXUQSMAJGEY-UHFFFAOYSA-N 300.388 -0.540 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H](CO)CNC(=O)C[C@@H]1CCCO1 1121099677 KWPNCMKGACNEQI-OLZOCXBDSA-N 304.350 -0.167 30 20 DBED C#CCO[C@H](C)C(=O)NC1CC2(C1)CC(N[C@@H]1CCNC1=O)C2 1121103102 SBPOFSALLLSFQO-JEJCEMRNSA-N 319.405 -0.070 30 20 DBED C[C@@](O)(CC(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1)C1CC1 1121339705 MLTJGDJFNJKHFG-XHDPSFHLSA-N 319.365 -0.790 30 20 DBED N#Cc1cnc(N[C@H](CO)CNC(=O)c2cccc(O)n2)cn1 1121424619 DKPFWKMKULJPKA-JTQLQIEISA-N 314.305 -0.348 30 20 DBED Cn1ccc(CC(=O)NC[C@@H](CO)N=c2cc[nH]cc2C#N)n1 1121481664 QZELVHBSHAJIMQ-ZDUSSCGKSA-N 314.349 -0.760 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)CN2CCCC2)nn1 1121581462 PRTVBYKGLYLJBP-LBPRGKRZSA-N 304.354 -0.667 30 20 DBED N#Cc1cncc(N[C@@H](CO)CNC(=O)[C@@]2(F)CCOC2)n1 1122410524 GYZDXJBNLVRJQZ-ZWNOBZJWSA-N 309.301 -0.634 30 20 DBED N#Cc1cncc(N[C@@H](CO)CNC(=O)C2(F)CCOCC2)n1 1122746673 AWPDSGIFHPAKEO-LLVKDONJSA-N 323.328 -0.244 30 20 DBED CC(=O)NCC(=O)N(C)C[C@H](O)CNc1ccc(C#N)nc1 1124085862 CNKFITKHNOLPQJ-CYBMUJFWSA-N 305.338 -0.679 30 20 DBED C#CCO[C@H](C)C(=O)NCCNCc1nnnn1CCCC 1127052487 YSJNLHAJIFRSFH-GFCCVEGCSA-N 308.386 -0.283 30 20 DBED COCCC(=O)N(C)CCOCCN=c1cc[nH]c(C#N)n1 1127166935 MLHQKFXLCYONRT-UHFFFAOYSA-N 307.354 -0.306 30 20 DBED C=C(C)CN[C@@H]1CN(C(=O)[C@@H](C)CC(N)=O)C[C@@H]1n1ccnn1 1129957307 YWDGFOCSDRBNAI-XQQFMLRXSA-N 320.397 -0.293 30 20 DBED C=C[C@@](C)(O)CC(=O)N1C[C@@H]2C[C@@H]3CN(CC(N)=O)C[C@]2(C1)O3 1131219869 FCPREBCNONNKRD-UAXWRAGISA-N 323.393 -0.900 30 20 DBED C#CCOCCC(=O)N1CCC(=O)NCCN(CC#CC)CC1 1131361923 GDAWAAHKCTZIFO-UHFFFAOYSA-N 319.405 -0.300 30 20 DBED C#CCCN1C[C@@H](NC(=O)CNC(=O)CNC(C)=O)CC[C@H]1C 1132131893 LSYAGZPKFTZMSD-OCCSQVGLSA-N 322.409 -0.769 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)Cc1cnoc1 1132761744 ABSYVWUKZFPALX-JTQLQIEISA-N 323.353 -0.677 30 20 DBED C[C@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C[C@H]1CNCC#N 1133165167 CGIIBAIDDKMKKP-CMPLNLGQSA-N 306.366 -0.363 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@H]1CCCc2nc[nH]c21 1133667519 HAEOWQPAMYPEPY-RYUDHWBXSA-N 317.393 -0.327 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)Cn2nccc2C)C1=O 1134517812 SWDRFIGYVUFVLA-ZDUSSCGKSA-N 305.382 -0.316 30 20 DBED C#CCN[C@H](C)C[C@H](C)NC(=O)C(C)(C)NS(C)(=O)=O 1135639567 OCLQAPXDNCXSGE-MNOVXSKESA-N 303.428 -0.180 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@@H](C)Cc1cnn(C)c1 1136012049 JVIMRYHGGRLMIN-LBPRGKRZSA-N 305.382 -0.946 30 20 DBED COCC#CCN1CCCO[C@@H](CNC(=O)c2cnccn2)C1 1149074270 IPNALQUCORAYOO-AWEZNQCLSA-N 318.377 -0.053 30 20 DBED N#CCN1CCCO[C@H](CNC(=O)CCCn2cncn2)C1 1150546394 FCZXNCKWCZOHAD-CYBMUJFWSA-N 306.370 -0.211 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)CN1CCC[C@@H]1C 1155226871 PVZHNVDSFFFZFB-UONOGXRCSA-N 323.441 -0.063 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)Cc1ccn(C)n1 1157814886 RUMOENLGDDJULI-GFCCVEGCSA-N 307.398 -0.251 30 20 DBED C#CCOCCC(=O)NCCCNC[C@H](O)COCCOC 1157846197 OIKGIBUHBGDIRP-AWEZNQCLSA-N 316.398 -0.854 30 20 DBED C#CCNC(=O)CNCCCC[C@H](C)NC(=O)Cn1cccn1 1169156541 DTTACJCKFWGNQV-AWEZNQCLSA-N 319.409 -0.103 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)CCCCNC(N)=O)C[C@H]21 1177042548 QGYFKTYTUOIDMI-KGLIPLIRSA-N 322.409 -0.240 30 20 DBED CS(=O)(=O)CCC(=O)N1CC[C@@H]2OCCN(CC#N)[C@@H]2C1 1177043765 ZUXTYXCPCZYPIC-NEPJUHHUSA-N 315.395 -0.754 30 20 DBED COCC#CCNC[C@@H]1C[C@H]2CC[C@H]1N(C(=O)CNC(N)=O)C2 1177603971 DEVRCMPPUSTROZ-HZSPNIEDSA-N 322.409 -0.479 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)c2cnc(C)cn2)C1 1180757049 SYUXQPYALQNURA-GFCCVEGCSA-N 303.366 -0.109 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)CNC(=O)CCC)C1 1181394728 CWVSLDUWIZBITA-QWHCGFSZSA-N 322.409 -0.769 30 20 DBED C[C@@H]1CN(C(=O)CN2C(=O)CN(C)C2=O)C[C@@]1(C)CNCC#N 1183356308 FPTHERKQSQACOX-IAQYHMDHSA-N 321.381 -0.522 30 20 DBED C#CCNCc1cn([C@H]2CCCN(C(=O)c3nc[nH]n3)C2)nn1 1186011863 QDJYDOXYQGPJPK-LBPRGKRZSA-N 314.353 -0.404 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@]23CCCN(CC2)C3)C1 1187442088 FSUXTHXPDIOCDQ-PBHICJAKSA-N 318.421 -0.588 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)CNC(=O)C(C)(C)C)C1 1187780011 FZJAMEAGQYPZJO-GFCCVEGCSA-N 322.409 -0.911 30 20 DBED C#CCOCCC(=O)N1CC[C@H]2CN([C@@H]3CCNC3=O)C[C@H]21 1187874623 YWLKEKQRSIZQFX-BFHYXJOUSA-N 305.378 -0.553 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)CCn2ccnn2)C1 1189836969 LZWVSFYPLZXKJS-ZDUSSCGKSA-N 320.397 -0.497 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)c2cnn(CC)c2)C1 1191855438 ZWWNZGJAYLVQBO-ZIAGYGMSSA-N 308.382 -0.120 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)CC[C@H]2CCOC2)C1 1192187478 RGNQLADKRVPBAK-RRFJBIMHSA-N 310.394 -0.386 30 20 DBED Cc1c[nH]c(C(=O)N2CCCN(CC(=O)NCC#N)CC2)n1 1197396768 NPORDFOSPVNFDW-UHFFFAOYSA-N 304.354 -0.494 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2nnc(C)o2)C[C@H]1O 1199315344 XZUQPSOGVPSLRZ-MVWJERBFSA-N 310.354 -0.370 30 20 DBED C=CCOCCCC(=O)N1CCCO[C@@H](CNCC(N)=O)C1 1200206741 KZRXTUKTNLOJKH-ZDUSSCGKSA-N 313.398 -0.338 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCC(N[C@@H]2CCC(=O)NC2=O)CC1 1204028913 RNDHITDWNUNOAY-WCQYABFASA-N 323.393 -0.037 30 20 DBED CO[C@@H](C)CC(=O)N1CCC(CNCC(=O)NCC#N)CC1 1204734112 OGVWBRXUXNYJEE-LBPRGKRZSA-N 310.398 -0.121 30 20 DBED C#CCN1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)CC(N)=O)C1 1205115310 FJFMMUULAKOYCV-HUUCEWRRSA-N 315.373 -0.431 30 20 DBED C=CCOCCN1C[C@@H](NC(=O)[C@@H]2CN(C)CCO2)[C@H](C)C1 1206739927 WVOBJOHFFMKQIJ-KFWWJZLASA-N 311.426 -0.044 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(CCS(C)(=O)=O)C[C@H]1C 1206964030 UWDHSUDWYJFNHJ-JHJVBQTASA-N 316.423 -0.494 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(CC(=O)NCC2CC2)C[C@H]1C 1206964231 ZKAZLFUEHWSIOL-UMVBOHGHSA-N 321.421 -0.013 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)CCc2nc[nH]n2)C1 1207765275 ZIAJOIBHWADGLG-LBPRGKRZSA-N 318.381 -0.933 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@@H](C)CC(N)=O)C1 1208980353 QWXXHMDJGJQAOE-NWDGAFQWSA-N 310.398 -0.619 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)CN2CCC[C@@H]2C)C1 1209630663 AUWOQZLKXAQJCA-GJZGRUSLSA-N 320.437 -0.199 30 20 DBED C=C[C@@](C)(O)CC(=O)N1C[C@@H](NCCOCCO)[C@H](C)C1 1214533566 OKTIRRFOZQPOFA-UMVBOHGHSA-N 300.399 -0.241 30 20 DBED COCC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1n[nH]cc1F 1218600919 SRUOLMPSCLZALO-QWHCGFSZSA-N 322.340 -0.276 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(Cc2nnnn2C2CC2)C[C@@H]1O 1219581204 KNFNMLZSXAOIHK-OLZOCXBDSA-N 318.381 -0.671 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@H](C)OCc2ccncc2)C1 1220385257 DOKOSSDBBCYBGB-CFVMTHIKSA-N 303.362 -0.219 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)COCCC)[C@@H]2C1 1221415720 GWDHKNOHQZMJFI-ZIAGYGMSSA-N 307.394 -0.305 30 20 DBED C#CCN1CC[C@@H]2CCN(C(=O)[C@H](C)NC(=O)COC)C[C@@H]21 1222745244 BOVOWURCVXQLKF-MJBXVCDLSA-N 307.394 -0.307 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)CN(CC)CC)CC1 1224911183 LBOWPVNCJAHNDL-UHFFFAOYSA-N 322.453 -0.094 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)Cn2ccnc2)CC1 1225658421 BEHPIPQFTHCQJD-UHFFFAOYSA-N 317.393 -0.539 30 20 DBED N#CCNC(=O)CN1CCC(NC(=O)c2csnn2)CC1 1228483290 PPNKMGSWLASYBR-UHFFFAOYSA-N 308.367 -0.628 30 20 DBED N#CCNC(=O)CN1CCC(NC(=O)c2ccncn2)CC1 1229685493 CRSKBHUGQXTMGP-UHFFFAOYSA-N 302.338 -0.689 30 20 DBED CN(C[C@H]1CCN1CC(=O)NCC#N)C(=O)c1cc(C#N)c[nH]1 1231407526 LCOCFRMFPMOWIJ-GFCCVEGCSA-N 314.349 -0.328 30 20 DBED C=CCCOCCNC(=O)C(=O)NCc1nn(CC)nc1C 1261447505 ADDLLHREBVVXQO-UHFFFAOYSA-N 309.370 -0.068 30 20 DBED CC#CCNC[C@H]1CCCCN1C(=O)Cn1ccc(O)nc1=O 1265675352 GPDNDVBGAZSGHC-CYBMUJFWSA-N 318.377 -0.057 30 20 DBED C#CCOCCNC(=O)C(=O)N[C@@H]1CC(=O)N(C(C)(C)C)C1 1323698546 KMPZKOXGZVMAQN-LLVKDONJSA-N 309.366 -0.732 30 20 DBED CCO[C@@H]1COCC[C@H]1NC(=O)C(=O)N1CC[C@@](F)(C#N)C1 1323723614 JSJCKAVRKHBTOB-JTNHKYCSSA-N 313.329 -0.239 30 20 DBED C=CCn1cc(CNC(=O)[C@H](NC(=O)C2CC2)[C@@H](C)O)nn1 1326170247 PRAKYXJUGGJOGH-BXKDBHETSA-N 307.354 -0.644 30 20 DBED CCc1cc(NC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)n(C)n1 1328219031 BCBDAUBHEGCNDH-AWEZNQCLSA-N 305.338 -0.202 30 20 DBED CC#CC[C@H](CO)NC(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1 1329555458 UIZDLJBYSZBEGJ-MFKMUULPSA-N 323.374 -0.393 30 20 DBED COC(=O)[C@H]1C[C@@H](O)CN(C(=O)C(=O)NCCCCC#N)C1 1332219851 ZADOZYNULFGECF-WDEREUQCSA-N 311.338 -0.821 30 20 DBED C=CCN(C(=O)C(=O)NC[C@@H]1CNCCCO1)[C@H](C)COC 1333547378 DXMJCRRWCBKMPF-OLZOCXBDSA-N 313.398 -0.469 30 20 DBED C=CCn1c([C@H](C)CO)nnc1N1CCN2C(=O)NC[C@H]2C1 1338992793 MNFBJPRNALMKRX-MNOVXSKESA-N 306.370 -0.226 30 20 DBED C=CCn1c([C@H](C)CO)nnc1N1CCN(CCOC)C(=O)C1 1342297315 CLEKRMRDKJEYOJ-GFCCVEGCSA-N 323.397 -0.145 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N[C@@H](C)[C@@H]1CN(C)CCO1 1343129810 CPUJXJWFERWBMU-KBPBESRZSA-N 305.378 -0.693 30 20 DBED CC#CCCNC(=O)C(=O)Nc1cnn(CC(=O)N(C)C)c1 1343351526 SIDSFBPIOYHHAD-UHFFFAOYSA-N 305.338 -0.561 30 20 DBED C=CCNC(=O)CS(=O)(=O)c1nnc(NC(C)=O)s1 1344042048 AMNXKBULONKVHL-UHFFFAOYSA-N 304.353 -0.428 30 20 DBED C=CCn1c(C2CC(O)C2)nnc1N1CCO[C@@H](C(=O)NC)C1 1351750838 LPEQORQPOYUUAB-HTAVTVPLSA-N 321.381 -0.346 30 20 DBED C[C@H](C(=O)Nc1nc(CC(N)=O)cs1)n1cnc(C#N)n1 1362130958 BDXFQZFQHIBYPQ-ZCFIWIBFSA-N 305.323 -0.166 30 20 DBED C[C@@H]1C(=O)CCCN1C(=O)CCn1cc(C#N)c(O)nc1=O 1363809353 UTUVZVFCRILIJX-SECBINFHSA-N 304.306 -0.209 30 20 DBED N#CC1(CNC(=O)NC[C@H]2CC(C(N)=O)=NO2)CCOCC1 1364623501 IZQKLWSMHCCCLZ-SECBINFHSA-N 309.326 -0.764 30 20 DBED N#Cc1ccc(OC2CN(Cc3cn(CC(N)=O)nn3)C2)cc1 1364969492 HRRNXVCUPHAGIX-UHFFFAOYSA-N 312.333 -0.102 30 20 DBED N#Cc1cn(CCNC(=O)NCCc2ccoc2)c(=O)nc1O 1365413805 CZJSYKRMYNMYRU-UHFFFAOYSA-N 317.305 -0.045 30 20 DBED CCN(CCC#N)C(=O)CN[C@H]1C[C@@H](C)N(C(=O)COC)C1 1369401317 IRYHZFUSKUYHDU-OLZOCXBDSA-N 310.398 -0.026 30 20 DBED CCC(=O)NCC(=O)NC[C@H](C)CNC(=O)c1cc(C#N)c[nH]1 1375649039 BPZPTLPQDFCUDB-JTQLQIEISA-N 319.365 -0.105 30 20 DBED COCCn1cc(C(=O)N(C)C[C@@H](C)NC(=O)[C@@H](C)C#N)nn1 1381995777 YUJULROVQPXXHJ-WDEREUQCSA-N 322.369 -0.339 30 20 DBED C[C@@H](C#N)C(=O)NC[C@]1(C)CCN(C(=O)c2ncn(C)n2)C1 1411064637 VFCIGTQBKBGELA-HZMBPMFUSA-N 304.354 -0.057 30 20 DBED CC(C)[C@@H](CNC(=O)c1cn(C)c(=O)n1C)NC(=O)[C@H](C)C#N 1416595129 OVOVLJRVSFQIGY-GHMZBOCLSA-N 321.381 -0.246 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1ncc(F)cc1F 1416769574 OBMUMKBPFHPBFR-VXNVDRBHSA-N 312.276 -0.274 30 20 DBED N#CC1(CNC(=O)N2CCC(O)(C(N)=O)CC2)CCOCC1 1428385466 RTLFMHWMVZGRAJ-UHFFFAOYSA-N 310.354 -0.671 30 20 DBED COC(=O)C1CCN(C(=O)Cn2cncc(C#N)c2=O)CC1 1434454783 HCWZLBFECITLJO-UHFFFAOYSA-N 304.306 -0.473 30 20 DBED N#CCC1(CS(=O)(=O)N2CCSC[C@@H]2C(N)=O)CC1 1434565599 KNASVEADMQUKBL-SECBINFHSA-N 303.409 -0.087 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CN(C)C(=O)c1c[nH]nc1C1CC1 1444741453 OBHPFLMNEJQZMO-ONGXEEELSA-N 319.365 -0.004 30 20 DBED C[C@@H](CNC(=O)CCNS(C)(=O)=O)N(C)C(=O)[C@H](C)C#N 1449989003 XIEWTPDMLWWMDN-ZJUUUORDSA-N 318.399 -0.952 30 20 DBED Cc1nc[nH]c1C(=O)NCCN1CCN(C(=O)[C@H](C)C#N)CC1 1453924860 BHERLTAOOFJOPH-LLVKDONJSA-N 318.381 -0.248 30 20 DBED C=CCCN1CC[C@H](NC(=O)CN(C)S(=O)(=O)N(C)C)C1 1490540736 SGZCAAOHYATKQK-LBPRGKRZSA-N 318.443 -0.509 30 20 DBED CC(=O)NCC(=O)NC[C@@H](O)CNCc1cc(C#N)ccc1F 1496931986 JABIMFKNFVHKGA-ZDUSSCGKSA-N 322.340 -0.600 30 20 DBED C=CCOC[C@H](NC(=O)[C@@H](C)[C@H](C)S(C)(=O)=O)C(=O)O 1573369763 ZOFARIVJWATTJS-GUBZILKMSA-N 307.368 -0.172 30 20 DBED C#CCC[C@@H](O)CNC(=O)Cc1noc(C)c1-c1nn[nH]n1 1588336406 AAMQTUDPXSOUNQ-SECBINFHSA-N 304.310 -0.404 30 20 DBED C=C[C@@H]1OCC[C@H]1Nc1nc(O)n(C)c(=O)c1-c1nn[nH]n1 1588728109 MWWBAVGSMOMNKM-RQJHMYQMSA-N 305.298 -0.579 30 20 DBED C[C@H](NC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C1CN(CC#N)C1 1589943987 RNZBGRNEWLSLCO-QMMMGPOBSA-N 300.326 -0.232 30 20 DBED CN(C(=O)Cn1cnc(-c2nn[nH]n2)n1)[C@H]1CCC[C@H]1C#N 1590986353 PCTMNKQVDOMLCW-IUCAKERBSA-N 301.314 -0.391 30 20 DBED COC[C@](C)(C#N)NC(=O)CNc1ccc(-c2nn[nH]n2)cn1 1591367734 LCEQGDWRNUVUFG-ZDUSSCGKSA-N 316.325 -0.282 30 20 DBED CCN(CCC#N)S(=O)(=O)N[C@H](CCC(=O)OC)C(=O)O 1596299787 BJWZZTDDULYETG-SECBINFHSA-N 321.355 -0.537 30 20 DBED N#CCOc1cccc(NC(=O)C(=O)NC[C@H](O)CC(=O)O)c1 1601075771 PWRRZGMLSKTADO-SNVBAGLBSA-N 321.289 -0.521 30 20 DBED C=CCOC[C@H](NC(=O)[C@@H]1CC(=O)N(CCOC)C1)C(=O)O 1602910192 QKRKGMWNHKBOOC-MNOVXSKESA-N 314.338 -0.747 30 20 DBED CN(C(=O)c1cc(-c2nn[nH]n2)c[nH]1)[C@@H]1CCN(CC#N)C1 1604650574 LVVRJFUNVWXCFF-SNVBAGLBSA-N 300.326 -0.135 30 20 DBED CN(CCN(C)c1cnc(C#N)cn1)C(=O)[C@@H]1C[C@H]1C(=O)O 1606127074 UAGSFKLYEQAVFP-GHMZBOCLSA-N 303.322 -0.036 30 20 DBED N#C[C@@H]1CNC[C@H]1NC(=O)c1cccc(CS(N)(=O)=O)c1 1649851789 SCTLDVBKSWCUCS-VXGBXAGGSA-N 308.363 -0.684 30 20 DBED C#CCNC(=O)CN1CCC[C@@H](NC(=O)Cn2cncc2C)C1 1690042649 WGSHRXUZPYUTDB-CQSZACIVSA-N 317.393 -0.478 30 20 DBED C#CCNC(=O)CN1CC[C@H](CCNC(=O)[C@@H](CC)N(C)C)C1 1691892248 AFACGZUQADDHQH-LSDHHAIUSA-N 322.453 -0.096 30 20 DBED C#CCNC(=O)CN1CCC[C@@H](NC(=O)c2ccn(CC)n2)C1 1713063286 UJBRYYJSKGHHCS-CYBMUJFWSA-N 317.393 -0.153 30 20 DBED C#CCN[C@H]1CCN(C(=O)[C@@H](NS(C)(=O)=O)C(C)C)C1 1752593495 MGCMEGSWSJQRAC-RYUDHWBXSA-N 301.412 -0.616 30 20 DBED C#CCCCC(=O)N[C@H]1C[C@H](NCC(=O)NC(=O)NCC)C1 1752627534 JVSLMJPIUDGDJS-HAQNSBGRSA-N 308.382 -0.128 30 20 DBED Cn1cncc1CC(=O)NC[C@@H]1CCCN1CC(=O)NCC#N 1753114999 APTFDTCBWKBHEX-LBPRGKRZSA-N 318.381 -0.817 30 20 DBED C#CCN(CCC)CCNC(=O)C[C@]1(C)CCS(=O)(=O)N1 1753149865 RVDLPMXQHNSZKK-AWEZNQCLSA-N 315.439 -0.080 30 20 DBED C#CCNC(=O)CN1CC[C@H](CCNC(=O)Cc2ncc[nH]2)C1 1753339097 OEOMNLFHIOFNHU-ZDUSSCGKSA-N 317.393 -0.470 30 20 DBED COCC#CCNC[C@H](C)N(C)C(=O)CN(C)C(=O)C1CC1 1753694838 HSIVIHCOTNCUIV-ZDUSSCGKSA-N 309.410 -0.059 30 20 DBED C=CCNC(=O)[C@H](C)NCC[C@H](C)NC(=O)c1nnn(C)c1C 1753954256 GEFDWBFXELVTIG-QWRGUYRKSA-N 322.413 -0.088 30 20 DBED C=CCNC(=O)[C@@H](C)NCC[C@H](C)NC(=O)c1cn(C)c(O)n1 1753997462 YWPZIWLSOYEZFE-WDEREUQCSA-N 323.397 -0.086 30 20 DBED N#CCNC(=O)CN1CC(O)(CNC(=O)C2C=CC=CC=C2)C1 1754768180 DOUKHAGEPLUIKD-UHFFFAOYSA-N 316.361 -0.913 30 20 DBED C=CCOCC(=O)N1C[C@@H]2CN([C@@H](C)c3nnnn3C)C[C@@H]2C1 1754840352 XHEPDBHEBPPFJB-RWMBFGLXSA-N 320.397 -0.136 30 20 DBED C#CCN1C[C@@H]2CCCN(C(=O)CCS(=O)(=O)NC)[C@@H]2C1 1754874406 WHBBLLPXBRDYEM-QWHCGFSZSA-N 313.423 -0.518 30 20 DBED C=C(C)CN1C[C@H]2C(CNC(=O)Cn3ccc(O)nc3=O)[C@@H]2C1 1755425364 JHICXJKKOOMTHZ-STQMWFEESA-N 318.377 -0.181 30 20 DBED C=CCCOCC(=O)NCC1[C@@H]2CN([C@@H]3CCNC3=O)C[C@@H]12 1755435202 BXVVWOXBFYKYFD-MELADBBJSA-N 307.394 -0.238 30 20 DBED C=CCNC(=O)CN[C@H](C)CN(C)C(=O)[C@]1(C)CCNC(=O)C1 1755592869 MSKPHTPMISQOMM-MLGOLLRUSA-N 324.425 -0.359 30 20 DBED C=CC(C)(C)CC(=O)NC[C@@H](CO)NCC(=O)NC(=O)NC 1755630001 ZLRLDHVOHCFGMI-JTQLQIEISA-N 314.386 -0.889 30 20 DBED C=CCNC(=O)[C@@H](C)N(C)C[C@H](O)CN(C)C(=O)c1ccon1 1755798163 PJAQYKVUYNPDQO-NEPJUHHUSA-N 324.381 -0.270 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C[C@H](O)CN(C)Cc1nncn1C 1755800423 IBAANITUQOCXHL-CHWSQXEVSA-N 323.397 -0.896 30 20 DBED C#CCN(C)C[C@@H](O)CN(C)C(=O)c1ccc(C(N)=O)s1 1755807999 ZIFKCHIHKHIUJB-SNVBAGLBSA-N 309.391 -0.155 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)c2oncc2C)C[C@@H]1O 1757162808 XCODWZKEESMKFH-MNOVXSKESA-N 309.322 -0.513 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(C(=O)Cc2ccoc2)C[C@@H]1O 1757173817 JHLSITFUMSNZOD-YUTCNCBUSA-N 320.345 -0.452 30 20 DBED C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3cc(O)no3)C2)C1 1779678921 RFNDDUBUAAALLI-CQSZACIVSA-N 305.290 -0.543 30 20 DBED C#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)CN)C[C@@H]21 1792172150 KVRXAGWTHDXOLO-AJNGGQMLSA-N 321.421 -0.026 30 20 DBED CC(C)NCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC#N 1795083700 VHUVHSKOQVLKRK-YWVIFJGQSA-N 322.409 -0.122 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cncnc1C)C2 1800453756 QBXJQLLVMFJMKT-JJLQDPRZSA-N 314.345 -0.379 30 20 DBED C=CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CNC(=O)O1)C2 1800996711 XBNGTGAHTKZHFF-NOHGZBONSA-N 323.349 -0.740 30 20 DBED CC[C@@H](O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC(=O)O 1801986485 KAUHRHWRQBQLCS-WRWGMCAJSA-N 308.334 -0.517 30 20 DBED C#CC(=O)N1CCCC12CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1845958380 YXNRFBSMLYUHTE-UHFFFAOYSA-N 317.305 -0.372 30 20 DBED CNC(=O)CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C#CC1CC1 1847745080 GPZHKUPLNLIUQD-STQMWFEESA-N 303.362 -0.262 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)c2ccccc2O)CC1 80930608 OPVUDKPJBLIEFP-UHFFFAOYSA-N 302.334 -0.210 30 20 DBED N#Cc1ncccc1S(=O)(=O)N[C@@H]1CCS(=O)(=O)C1 236414105 SVYQZDTUSPLZGB-MRVPVSSYSA-N 301.349 -0.581 30 20 DBED C/N=C(/NCCN1CCSCC1)N1CCN(C(C)=O)CC1 262403688 ODQFENZPBRKFTB-UHFFFAOYSA-N 313.471 -0.225 30 20 DBED CN(C)CCCN(CCC#N)C(=O)CN1C(=O)C(=O)N(C)C1=O 265036971 PPHGCFHKGDBEPT-UHFFFAOYSA-N 323.353 -0.899 30 20 DBED CS(=O)(=O)CCNC(=O)C(=O)N1CCc2ccc(C#N)cc21 270159919 IFEHURHSVHDNTM-UHFFFAOYSA-N 321.358 -0.392 30 20 DBED C=CCNC(=O)CNC(=O)C(=O)Nc1cnn(CC(C)C)c1 271965696 FANGROOJUULWSP-UHFFFAOYSA-N 307.354 -0.104 30 20 DBED CC(=O)c1ccc(C#N)c(N2CCN3C(=O)C(=O)NC[C@@H]3C2)c1 272573810 UEWUHCXGALICAI-CYBMUJFWSA-N 312.329 -0.092 30 20 DBED COC[C@@H](O)CNc1ccc(C#N)c(NC[C@H](O)COC)n1 278431606 PQWOEDLNGHRYOC-RYUDHWBXSA-N 310.354 -0.208 30 20 DBED CN1C(=O)C(/C(N)=N/OC[C@H]2CNC(=O)O2)=C(N)C12CCCC2 282171292 FCKYAGHNFZJQMO-MRVPVSSYSA-N 323.353 -0.619 30 20 DBED C=C[C@@H](CO)NC(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1 290729361 YLMGSPRISOPNBB-GXFFZTMASA-N 320.324 -0.091 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2CCO[C@@H](C)C2)C1=O 297989575 XFXQWGIVYKLDBT-NWDGAFQWSA-N 309.366 -0.521 30 20 DBED C#CCN(C)C(=O)C(=O)N1CCN(c2ncccc2F)CC1 298024695 MURSNPRMQHODFD-UHFFFAOYSA-N 304.325 -0.039 30 20 DBED C[C@](CO)(NS(=O)(=O)c1ccc(F)c(C#N)c1)C(=O)O 313561492 IQUMUPMKJXAENS-LLVKDONJSA-N 302.283 -0.189 30 20 DBED C/C(O)=N/[C@@H]1CCCN(C(=O)CN2CCN3C(O)=NC[C@H]3C2)C1 330020589 WRMVEDRVAPARSO-OLZOCXBDSA-N 323.397 -0.132 30 20 DBED CC(C)[C@@H](C/N=C(/O)N1C[C@@H](O)C[C@H]1CO)N1CCOCC1 331101188 BWSUJGSGARTKLS-MELADBBJSA-N 315.414 -0.315 30 20 DBED CNS(=O)(=O)CC/N=C(/O)N1CCC[C@H](C(=O)OC)C1 331318413 ZHYLJDJAIQCZRD-VIFPVBQESA-N 307.372 -0.665 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1CCc2nnc(O)cc2C1 332722571 SCJVLJWWYOMTKI-VIFPVBQESA-N 305.338 -0.059 30 20 DBED CC(C)[C@H]1CN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CCO1 336901702 BZIKONLKEDYMNA-NWDGAFQWSA-N 303.384 -0.188 30 20 DBED CN(C)CC1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)CC1 336938325 HNTXECAREITRQQ-CYBMUJFWSA-N 316.427 -0.271 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CC(OCC(=O)N(C)C)C1 336944389 MHXQLIQSERKINQ-UHFFFAOYSA-N 318.399 -0.744 30 20 DBED COC(=O)c1cccc(S(=O)(=O)NCC(=O)NCC#N)c1 352530932 PFPQUSQPFDSCKA-UHFFFAOYSA-N 311.319 -0.609 30 20 DBED CCOc1ccc(NC(=O)C(=O)NCC(=O)NCC#N)cc1 357302361 JJUOMKRYEXIOFY-UHFFFAOYSA-N 304.306 -0.220 30 20 DBED C[C@H](C(=O)N(C)CCC#N)N1CCC[C@H](CS(N)(=O)=O)C1 358181695 BAMCYLWYAQHHJW-NEPJUHHUSA-N 316.427 -0.253 30 20 DBED N#C[C@]1(NC(=O)CCCS(=O)(=O)N2CCCC2)CCOC1 358474385 MDKVQAZDRICVRZ-CYBMUJFWSA-N 315.395 -0.009 30 20 DBED C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC[C@H]2C(=O)NC[C@H]21 425890617 IAEPIBBIPPSXMV-LOWDOPEQSA-N 321.377 -0.569 30 20 DBED C=C(C)COCCNC(=O)NCCNS(=O)(=O)NC(C)C 428786078 NIMSYFPDZCPZBC-UHFFFAOYSA-N 322.431 -0.289 30 20 DBED COCCNC(=O)CNC(=O)C(=O)Nc1ccc(C#N)cc1F 433526050 TYRBOWDDFSCHBD-UHFFFAOYSA-N 322.296 -0.485 30 20 DBED C=CCOC[C@@H](NC(=O)c1c(C)c(C)nn(C)c1=O)C(=O)OC 435941450 KPLWGMPEZOKKFQ-LLVKDONJSA-N 323.349 -0.129 30 20 DBED CN(C(=O)C(=O)Nc1ccc(F)c(C#N)c1)[C@H]1CCNC1=O 442266570 YMNCJXCMYYQODW-NSHDSACASA-N 304.281 -0.017 30 20 DBED Cc1c(C#N)cccc1C(=O)NCCNS(=O)(=O)N(C)C 457798926 OKFQKAJPFMLATA-UHFFFAOYSA-N 310.379 -0.008 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)C2=C(C)OCCS2)CC1 491072097 PMYDKAVWQIIZCY-UHFFFAOYSA-N 323.418 -0.125 30 20 DBED C#CCNC(=O)CCN1CCCN(CC(=O)N2CCCC2)CC1 491153658 BTMCJNSNUATDGD-UHFFFAOYSA-N 320.437 -0.244 30 20 DBED CN(C)C(=O)CNC(=O)N(C)CCCc1[nH]nc(N)c1C#N 540967412 UXWAMQOOFLEFSZ-UHFFFAOYSA-N 307.358 -0.474 30 20 DBED COCCN(CCC#N)S(=O)(=O)NC(C)(C)C(=O)N(C)C 558584360 APXGWWUZXNDWSO-UHFFFAOYSA-N 320.415 -0.450 30 20 DBED COCCN(CCC(=O)O)S(=O)(=O)N(C)C[C@H](C)C#N 563227036 SCXLVHBNSSPBDS-SNVBAGLBSA-N 307.372 -0.254 30 20 DBED N#Cc1ccccc1S(=O)(=O)NC[C@@H](O)Cn1ccnn1 568664328 MYULIOCFPYAZKP-LLVKDONJSA-N 307.335 -0.511 30 20 DBED N#CCN1CCC(NC(=O)C(=O)N2CCOC[C@H]2C2CC2)CC1 588126897 UTRHTORXRQDXOL-AWEZNQCLSA-N 320.393 -0.272 30 20 DBED N#CCNC(=O)CNC(=O)N1CCN(c2ccncc2)CC1 588747616 RSXFSCGBYWVDPC-UHFFFAOYSA-N 302.338 -0.447 30 20 DBED CC[C@H](C#N)C(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 593413813 CUUZOGSOVMHRNT-LLVKDONJSA-N 320.349 -0.644 30 20 DBED CO[C@@H]1CS(=O)(=O)C[C@@H]1NS(=O)(=O)CC(C)(C)CC#N 594823026 QGLHNUURCDDOCU-VHSXEESVSA-N 324.424 -0.342 30 20 DBED COC(=O)[C@H](CC(C)C)NC(=O)CNc1cc(C#N)cnn1 596186748 WYIDPJKNZULIGL-NSHDSACASA-N 305.338 0.464 30 20 DBED CS(=O)(=O)NC1CN(S(=O)(=O)c2cccc(C#N)c2)C1 599422702 VTYOVZIAQBHRIP-UHFFFAOYSA-N 315.376 -0.520 30 20 DBED CC[C@@H]1COCCN1C(=O)C(=O)N1CCN(CCC#N)CC1 601434147 DRDZFUYQHMYJOL-CYBMUJFWSA-N 308.382 -0.318 30 20 DBED N#Cc1ccc(S(=O)(=O)N2CCO[C@@H](C(N)=O)C2)c(F)c1 610083808 JRTGFCDPLBFJJZ-SNVBAGLBSA-N 313.310 -0.428 30 20 DBED N#C[C@H]1CN(S(=O)(=O)N[C@H]2CC[C@@H](CO)CC2)CCO1 619712680 BDQWSQNXJKCCOQ-TUAOUCFPSA-N 303.384 -0.404 30 20 DBED C=CCN1CC[C@H](n2cc(CN3CCN(C)CC3)nn2)C1=O 641109748 UTPQSZDSWYEPFL-AWEZNQCLSA-N 304.398 -0.015 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H]2CCCCN2)C1=O 644081313 AYYKSKGNPIPIPF-JTQLQIEISA-N 308.338 -0.779 30 20 DBED N#CCN1CCN(C(=O)CS[C@H]2CCS(=O)(=O)C2)CC1 701338275 YEKRILKONBLFKJ-NSHDSACASA-N 317.436 -0.426 30 20 DBED C=C(Cl)CNC(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 736399176 UEAMVDDYUAASBW-SECBINFHSA-N 323.802 -0.269 30 20 DBED COC(=O)NCCCC(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[nH]1 736938750 UQDCXLONYPDAPP-UHFFFAOYSA-N 319.285 -0.464 30 20 DBED COC(=O)c1cc(C(=O)OC)n(CN2CCO[C@@H](C#N)C2)n1 765697949 ODZNGJHZGLTPSZ-VIFPVBQESA-N 308.294 -0.362 30 20 DBED COC(=O)CCN(C)S(=O)(=O)NCc1ccc(C#N)cn1 780885840 AUSJUPOHPQIYBO-UHFFFAOYSA-N 312.351 -0.217 30 20 DBED C[C@H]1CN(C)C(=O)CN1C(=O)CNC(=O)c1ccc(C#N)cc1 783757552 CJWAWSQONBVVMH-NSHDSACASA-N 314.345 -0.023 30 20 DBED COCC(=O)N(C)CC(=O)O[C@@H](C)C(=O)NC1(C#N)CCC1 787757540 CNJHEGUJVUWJDT-JTQLQIEISA-N 311.338 -0.415 30 20 DBED N#Cc1cccnc1NCCNC(=O)C(=O)N1CC[C@H](CO)C1 787788385 WWVPOFTVHCMEJW-NSHDSACASA-N 317.349 -0.678 30 20 DBED COC(=O)CNC(=O)COC(=O)COc1ccccc1C#N 790095383 COKONLODTSOTDZ-UHFFFAOYSA-N 306.274 -0.231 30 20 DBED N#CCOc1cccc(CC(=O)NC[C@@H]2CC(C(N)=O)=NO2)c1 793896946 BGTNEMJQCJQBOA-LBPRGKRZSA-N 316.317 -0.122 30 20 DBED COCCNC(=O)[C@H](C#N)C(=O)[C@@H]1CCc2cnn(C)c2C1 798816025 HATLVOHUBYUPQI-ZYHUDNBSSA-N 304.350 -0.004 30 20 DBED C#CCCCS(=O)(=O)N1CCC([C@H](O)C(=O)OC)CC1 805044524 VOXQTLAOXPMIKP-LBPRGKRZSA-N 303.380 -0.025 30 20 DBED C=CCCC(=O)COC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1 815261858 CYQSWVTXCXASNN-SNVBAGLBSA-N 304.368 -0.020 30 20 DBED C[C@@](C#N)(CC(=O)O)C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 819811897 WPSVGPBGFDTEHV-ABAIWWIYSA-N 323.349 -0.159 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2C[C@@H]2C2CC2)CC1 831574438 HBWISHGMWZQNNE-OLZOCXBDSA-N 311.407 -0.356 30 20 DBED CC(C)(N)CNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 832793404 LZHFBGWJVJWKCI-UHFFFAOYSA-N 324.406 -0.031 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@H]1CCCS1(=O)=O 848857819 CNKDADPZHZUWCO-RKDXNWHRSA-N 318.351 -0.493 30 20 DBED C#C[C@@](C)(CC)NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 854694697 IGBAVUQRJJRFOH-HNNXBMFYSA-N 317.349 -0.648 30 20 DBED CCOC(=O)CON=C(C(=O)NC[C@H](O)CC)c1cc[nH]n1 855744894 UBSIHCOBHJCQTN-SECBINFHSA-N 312.326 -0.419 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CC[C@H](C)[C@H](CO)C1)[C@@H]1CCCO1 857086859 YKIOWMLYNQXDDQ-XUXIUFHCSA-N 308.378 -0.240 30 20 DBED Cn1c(N2CCC[C@H](C(C)(C)O)C2)c(C#N)c(=O)n(C)c1=O 872673205 GAPIUVQYVSGEQQ-JTQLQIEISA-N 306.366 -0.057 30 20 DBED C#CC1(O)CN(C(=O)c2cnn(CC(=O)NC3CCCC3)c2)C1 890521964 CAZSGEWPQLREFS-UHFFFAOYSA-N 316.361 -0.238 30 20 DBED CN(C)S(=O)(=O)CCC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 913356766 SBBNNGXVNNICKM-LBPRGKRZSA-N 314.411 -0.533 30 20 DBED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCOCN2)cc1 928953036 CXXHNXODTWFAPQ-UHFFFAOYSA-N 309.347 -0.467 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCN(C(=O)[C@H]3CCOC3)C2)nn1 937969991 OPHQFEXNNXZAAC-RYUDHWBXSA-N 319.365 -0.169 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)[C@H]1CCC(=O)N1C)CCO2 949167137 RYKBVPIMORDFJV-CQSZACIVSA-N 319.405 -0.066 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(CC1)CN([C@@H]1CCNC1=O)CCO2 949320546 PIMIVGPVOZVGFW-QWHCGFSZSA-N 320.393 -0.272 30 20 DBED CC#CCN1CCN(C(=O)c2nc(C)n(-c3nc[nH]n3)n2)CC1 949564083 DCFXJWKGSARZRU-UHFFFAOYSA-N 314.353 -0.525 30 20 DBED O=C(NC[C@H]1CCN1C(=O)C#CC1CC1)[C@@H]1CCS(=O)(=O)C1 951042182 DMAJMLQPZUSMAS-CHWSQXEVSA-N 324.402 -0.448 30 20 DBED Cc1ncnc(O)c1C(=O)NC[C@@H]1CCN1C(=O)[C@H](C)C#N 951680916 WSGHEIWPQYBLTA-SCZZXKLOSA-N 303.322 -0.019 30 20 DBED C=CCn1cc(C(=O)N(C)C2CN(C(=O)[C@@H](C)OC)C2)nn1 954307696 BDEBSCVANYFVIB-SNVBAGLBSA-N 307.354 -0.218 30 20 DBED C[C@H](C#N)C(=O)N1CC(N(C)C(=O)[C@H]2CCNC(=O)CC2)C1 954852901 PHYQHPXNTOCBMR-GHMZBOCLSA-N 306.366 -0.268 30 20 DBED C=C(C)CN1CCN(C(=O)c2cn(CC(=O)N(C)C)nn2)CC1 957778376 OJAJNYJHSZYNAP-UHFFFAOYSA-N 320.397 -0.300 30 20 DBED CC#CCN1C[C@H](O)[C@H](CNC(=O)c2nc(C)c(C)nc2O)C1 958179219 KBKCNLLAZBKPIO-OLZOCXBDSA-N 318.377 -0.155 30 20 DBED CC#CCN1C[C@H](O)[C@H](CNC(=O)c2cc(=O)c(OC)c[nH]2)C1 958261952 DLXDTCVEVQRKMI-RISCZKNCSA-N 319.361 -0.571 30 20 DBED C=CCCN1C[C@@H](O)[C@@H](CNC(=O)C2CC(=O)NC(=O)C2)C1 958477204 WEAGMIQUKUNMQA-NWDGAFQWSA-N 309.366 -0.976 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](CNC(=O)c2cncc(C(N)=O)c2)C1 958699462 XYMTVJHBRMOMQB-KGLIPLIRSA-N 318.377 -0.221 30 20 DBED C=CCCN1C[C@H](O)[C@H](CNC(=O)c2cccnc2C(N)=O)C1 958715272 IEXGPEQGWWAWJI-YPMHNXCESA-N 318.377 -0.221 30 20 DBED C#CCCN1C[C@H](CNC(=O)c2noc3c2COCC3)[C@@H](O)C1 958725321 XKDZMAZTBVNBHK-AAEUAGOBSA-N 319.361 -0.207 30 20 DBED CCn1ccnc1C(=O)N(C)[C@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1O 958834474 YFFAXIFCQMKJCL-WOPDTQHZSA-N 319.365 -0.294 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)CN1CCCC1 960407155 ALTOLQUCTLWIKL-MELADBBJSA-N 320.393 -0.320 30 20 DBED CC#CCN1C[C@@H]2C(NC(=O)Cn3nc(C)ccc3=O)[C@H]2C1 962356030 YJMCXRDTFORHGA-STQMWFEESA-N 300.362 -0.379 30 20 DBED C#CCN1CCC(C(=O)N[C@H]2[C@@H]3CN(C[C@@H](C)O)C[C@@H]32)CC1 962779010 RHRTVKLDDBMZQX-OJLVUWQFSA-N 305.422 -0.241 30 20 DBED C#CCN1CCC(C(=O)N[C@@H]2COC3(C2)CN(C(C)=O)C3)CC1 965723417 SKIGRWAJGWSLFR-HNNXBMFYSA-N 319.405 -0.162 30 20 DBED C#CCN1C[C@H]2CC[C@H]1CN2C(=O)CC[C@H]1NC(=O)NC1=O 972091345 KKZDMKSTRZUTDL-QJPTWQEYSA-N 304.350 -0.717 30 20 DBED C[C@@]1(C(=O)N2CC[C@]3(CN(CC#N)CCO3)C2)CCNC(=O)C1 972430835 LCFCMWHJGAWQAY-CVEARBPZSA-N 320.393 -0.270 30 20 DBED N#CCN1CCO[C@@]2(CCN(C(=O)CN3CCCNC3=O)C2)C1 972449770 OJXFTDBGEXZMOO-HNNXBMFYSA-N 321.381 -0.771 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2COCCO2)C1 973034329 SOWAWSIIJWPMRB-POQQGIQPSA-N 324.377 -0.244 30 20 DBED NC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@H]2CCN(C(=O)C#CC3CC3)C[C@H]21 975222756 LOWTYWCWCQTAJL-YIYPIFLZSA-N 315.373 -0.420 30 20 DBED C=CCCN1C[C@@H]2C(CNC(=O)c3cn(CC(N)=O)nn3)[C@H]2C1 979080866 UKZAIFZFKGMPDW-VXGBXAGGSA-N 318.381 -0.753 30 20 DBED C[C@@H](C#N)C(=O)N1CCC([C@@H](C)NC(=O)c2nnn(C)n2)CC1 986991183 AAPQESSRZXQJRV-VHSXEESVSA-N 319.369 -0.273 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](NC(=O)c2cc(=O)n(C)o2)[C@H]1C 987733785 DZOMPQJYHRQGNV-BBBLOLIVSA-N 306.322 -0.143 30 20 DBED C[C@H]1C[C@H](NCc2nc(=O)n(C)[nH]2)CN1C(=O)C#CC1CC1 988827291 RKHLAHCZACBDEY-JQWIXIFHSA-N 303.366 -0.399 30 20 DBED C#Cc1ccc(C(=O)N2C[C@H](n3ccnn3)[C@H](NC(C)=O)C2)nc1 990775213 WQJJDWOWJAEJIE-CABCVRRESA-N 324.344 -0.144 30 20 DBED C[C@@]1(C(=O)N2CC(NC(=O)c3c[nH]c(C#N)c3)C2)CCC(=O)N1 990935120 JVVDIXOJCRLLSN-HNNXBMFYSA-N 315.333 -0.504 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](C)[C@H](CNC(=O)c2cnnn2C)C1 993962924 YMHFKCONNRDFMO-HBNTYKKESA-N 304.354 -0.201 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN(C(=O)c2ccn(C)n2)C1 994756950 ZLQBBSGXAGZRHJ-AWEZNQCLSA-N 315.377 -0.542 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)C[C@H]2CCNC2=O)C1 1000032424 GRPUPTGUHVBWPW-RTXFEEFZSA-N 321.377 -0.569 30 20 DBED C#CCN1CCC(CNC(=O)c2nc(O)nc(O)c2OC)CC1 1002044840 FZUCVDDOCRPZPG-UHFFFAOYSA-N 320.349 -0.029 30 20 DBED C[C@H](C#N)C(=O)N1CC(CNC(=O)c2ccc(C(N)=O)cn2)C1 1002913806 MDIOTXCLHUPHIY-SECBINFHSA-N 315.333 -0.472 30 20 DBED CC1(C)CN(C(=O)C#CC2CC2)C[C@@H]1NC(=O)[C@H]1CNC(=O)N1 1008517273 SHZWCMYFBHKRMQ-NEPJUHHUSA-N 318.377 -0.566 30 20 DBED O=C(NC[C@H]1[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]12)c1cnon1 1009419788 YTBCYSUFCMNJJC-CNDDSTCGSA-N 300.318 -0.083 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(C1)CN(C(=O)[C@@H]1COC(=O)N1)C2 1018986468 IANXLKGSMJYMNH-UWVGGRQHSA-N 306.322 -0.685 30 20 DBED C[C@H](C#N)C(=O)N1CCC2(CN(C(=O)[C@H]3CCCNC3=O)C2)C1 1019111864 HXGJFJRDXFQQNQ-NEPJUHHUSA-N 318.377 -0.267 30 20 DBED O=C1NCC[C@H]1C(=O)N1CC2(CCN(C(=O)C#CC3CC3)C2)C1 1019251947 YLGYOVMCMBNABJ-CYBMUJFWSA-N 315.373 -0.403 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCN(C(=O)c3cn(C)nn3)C2)C1 1019362960 JJLHOUBNTWHEOS-SNVBAGLBSA-N 302.338 -0.351 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)CN2CCCC2=O)[C@@H]1C 1020534341 KNQUMCINXDFLQF-SRVKXCTJSA-N 306.366 -0.126 30 20 DBED N#Cc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ncc[nH]3)C2)c[nH]1 1023628951 QQUACPMQUSCIOA-GHMZBOCLSA-N 314.305 -0.775 30 20 DBED Cn1cc(C(=O)NC[C@H]2CCCN(CC#N)C2)c(O)nc1=O 1023742852 PIISGCVBOALYHF-SNVBAGLBSA-N 305.338 -0.549 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](CNCc2nnn(C)n2)C1 1027075681 YFFNHPHTGAFAPI-UPJWGTAASA-N 320.397 -0.261 30 20 DBED C[C@@H](C(=O)N1CCC[C@@H](N(C)CC#N)C1)N1C(=O)CCC1=O 1027433129 SLSGFQOJTFTPCZ-NWDGAFQWSA-N 306.366 -0.030 30 20 DBED N#CCN1CC[C@H](CNC(=O)[C@H]2CCc3nnc(O)n3C2)C1 1028640592 RHXQJHJSOGDCNU-MNOVXSKESA-N 304.354 -0.492 30 20 DBED C#CCN1CC[C@H](CNC(=O)[C@@H]2CCc3nnn(C)c3C2)C1 1028764271 BYKVSHUBWPLIQS-CHWSQXEVSA-N 301.394 -0.009 30 20 DBED CN(C)c1noc(CN2CC(NC(=O)c3cc(C#N)c[nH]3)C2)n1 1030190656 CAXFVMKVUQOWGA-UHFFFAOYSA-N 315.337 -0.050 30 20 DBED N#CCN1CCO[C@@H](CNC(=O)[C@H]2CCCN(C(N)=O)C2)C1 1035435676 USIMOFVAQRPHNP-RYUDHWBXSA-N 309.370 -0.882 30 20 DBED C[C@@H]1CN(C(=O)CN2CCCS2(=O)=O)CC[C@H]1NCC#N 1036051338 CFTSQXCTWINVIG-VXGBXAGGSA-N 314.411 -0.628 30 20 DBED C=CCO[C@@H](C)C(=O)NC[C@]1(O)CCN(C(=O)c2cnco2)C1 1040161331 ACZCWWHBYGHCFA-XHDPSFHLSA-N 323.349 -0.041 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@@](O)(CNC(=O)CCCF)C1 1040566619 CJLOPHRCFYVNDD-SWLSCSKDSA-N 314.357 -0.146 30 20 DBED Cc1cc(C(=O)N2CC[C@@](O)(CNC(=O)[C@@H](C)C#N)C2)no1 1040764291 VTRHPVKQDFQRQC-LKFCYVNXSA-N 306.322 -0.164 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(c2ncccn2)C[C@H]1O 1041349762 KEAULIAQXFLKSJ-LPWJVIDDSA-N 304.350 -0.267 30 20 DBED C=CCN1CC[C@@]2(CCN(C(=O)CN3C(=O)CN(C)C3=O)C2)C1 1041819246 CTDIBRJRSBNRLK-MRXNPFEDSA-N 320.393 -0.009 30 20 DBED C=CCN1CC[C@@]2(CCN(C(=O)c3cn(CC(N)=O)nn3)C2)C1 1041845493 FQTTXHJWFJZANI-OAHLLOKOSA-N 318.381 -0.513 30 20 DBED O=C(C#CC1CC1)NCC1(O)CN(C(=O)CC2=CCOCC2)C1 1042960067 CWBJPORLJHJKQZ-UHFFFAOYSA-N 318.373 -0.174 30 20 DBED C=CCn1cc(C(=O)NCC2(O)CN(C(=O)C(C)C)C2)nn1 1043106777 WLGJRHADDSGIDP-UHFFFAOYSA-N 307.354 -0.577 30 20 DBED C=CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)Cc2cnoc2)C1 1043575981 MLCJHSCJCOGRQH-LLVKDONJSA-N 323.349 -0.502 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)[C@H](C)NC(C)=O)C1 1044478880 OBAYKWUHWNTDEE-JTQLQIEISA-N 311.382 -0.587 30 20 DBED C[C@@H]1C[C@H](NCC#N)CCN1C(=O)CN1CC(=O)N(C)C1=O 1044816014 IPKPNKYSPOWQGA-GHMZBOCLSA-N 307.354 -0.627 30 20 DBED C=CCCCC(=O)NCC1(O)CN(C(=O)CC(=O)NCC)C1 1045450730 AMTRJQYFTKJYOL-UHFFFAOYSA-N 311.382 -0.442 30 20 DBED C=CCN1CC[C@H](N2CCN(C(=O)c3cnnn3C)CC2)C1 1046029052 YBXAMJHEFSNNIM-ZDUSSCGKSA-N 304.398 -0.167 30 20 DBED C#CCCN1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 1046968599 KKCSBVCEXTYKTN-MNOVXSKESA-N 314.336 -0.236 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3n2CCOC3)C1 1047416104 UQEJDLVCSNUYRL-KBPBESRZSA-N 318.377 -0.446 30 20 DBED CCc1cc(CC(=O)N(C)[C@H]2CN(CC#N)C[C@@H]2O)n(C)n1 1047465194 SKZJLUPXELFEQD-KBPBESRZSA-N 305.382 -0.448 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)C(=O)N2CCC[C@H]2CC)C1 1047587866 BQKZBPQTNLFVAY-ILXRZTDVSA-N 321.421 -0.086 30 20 DBED C=CCOCC(=O)N(C)[C@H]1CN(C(=O)CCN(C)C)C[C@@H]1O 1048558532 RAFWREUNZQZQIT-STQMWFEESA-N 313.398 -0.829 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cnco2)C1 1049121916 RAXPMEAPNUJHPN-QWRGUYRKSA-N 309.322 -0.479 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)CNC(C)=O)C[C@H]1C 1051824158 GFFROGOARJTNDI-YPMHNXCESA-N 311.382 -0.464 30 20 DBED N#CCN1CCN([C@H]2CCN(C(=O)CO[C@@H]3CCOC3)C2)CC1 1052027211 YRLVJFPBSVNDTQ-LSDHHAIUSA-N 322.409 -0.466 30 20 DBED C#CCN1CCN([C@H]2CCN(C(=O)c3cn(C)c(O)n3)C2)CC1 1052077932 YDLSKGPVQWPCSI-ZDUSSCGKSA-N 317.393 -0.409 30 20 DBED C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1CNC(=O)C(N)=O 1052312736 DUVVTHDCCPDJRC-PSASIEDQSA-N 303.322 -0.804 30 20 DBED C=CCCN1CC2(C1)CN(C(=O)[C@H]1CC[C@@H]1C(N)=O)CCO2 1053373210 MOTWSCAZPVOFHQ-STQMWFEESA-N 307.394 -0.013 30 20 DBED N#CCN1CC2(CC[C@@H](CNC(=O)c3ccc(O)nn3)O2)C1 1053567380 YRRWDVAJBGVBJD-JTQLQIEISA-N 303.322 -0.331 30 20 DBED COc1nccc(C(=O)NC[C@@H]2CCC3(CN(CC#N)C3)O2)n1 1053630913 MJCVIQPFGPMDIL-NSHDSACASA-N 317.349 -0.028 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCN(CCO)C(=O)[C@H]1CCCO1 1056894039 HHSQADMAWQOGRL-IUODEOHRSA-N 314.382 -0.570 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)c1cnns1 1057090443 NISULELGMRIKSY-UHFFFAOYSA-N 310.379 -0.252 30 20 DBED C=CCn1cc(C(=O)N(CCO)CCNC(=O)CC2CC2)nn1 1057625506 FEQJKSOMDGNLPC-UHFFFAOYSA-N 321.381 -0.185 30 20 DBED N#Cc1cnc(N[C@@H]2CCCN(C(=O)[C@H]3CNC(=O)N3)C2)cn1 1057749104 PWMGGGMSSUKVOZ-MWLCHTKSSA-N 315.337 -0.567 30 20 DBED N#Cc1nccc(N2CC[C@@H](NC(=O)Cn3cnnc3O)C2)n1 1058320460 CNPCAIAZAIVOIB-SECBINFHSA-N 314.309 -0.960 30 20 DBED C[C@@H]1CCN(CC(=O)N(CCO)CCNC(=O)[C@H](C)C#N)C1 1058845874 YKLFDGWWHLZFJN-CHWSQXEVSA-N 310.398 -0.575 30 20 DBED N#Cc1nccnc1N[C@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 1058883824 WJMHWSVWBRFALD-WCBMZHEXSA-N 302.294 -0.531 30 20 DBED N#Cc1cnc(N[C@H]2C[C@H](NC(=O)[C@H]3CCC(=O)NC3)C2)cn1 1059457174 ANQATJWYUJDPBQ-DCAQKATOSA-N 314.349 -0.066 30 20 DBED N#Cc1nc(=N[C@H]2C[C@@H](NC(=O)c3cc[n+]([O-])cc3)C2)cc[nH]1 1059559422 DQPUIPZQLLVGKM-TXEJJXNPSA-N 310.317 -0.224 30 20 DBED CNC(=O)NCC(=O)NCC[C@H]1CCN(C(=O)C#CC2CC2)C1 1059622216 DHJPKJCGKVFFKJ-ZDUSSCGKSA-N 320.393 -0.316 30 20 DBED CC(=O)NCC(=O)N1CCC2(CC1)CN(C(=O)[C@@H](C)C#N)C2 1061112585 GWWWSPGPJQBXJI-NSHDSACASA-N 306.366 -0.267 30 20 DBED C#CCOCCC(=O)N1CCOC[C@H]1CNC(=O)c1cn[nH]c1 1061332526 YXLJKVJMZKXDEL-CYBMUJFWSA-N 320.349 -0.593 30 20 DBED C=CCO[C@H](C)C(=O)NC[C@H]1COCCN1C(=O)c1cn[nH]c1 1061667523 HNUCCBSRWRWPMD-YPMHNXCESA-N 322.365 -0.042 30 20 DBED CCN(C)CCC(=O)NC[C@H]1COCCN1C(=O)[C@H](C)C#N 1061899506 ZKGYGIVLZHAIKO-OLZOCXBDSA-N 310.398 -0.169 30 20 DBED N#Cc1cnc(N2CC[C@H]3CN(C(=O)CC(N)=O)CC[C@@H]32)cn1 1063998340 AZVLMTIVOPWNIT-JQWIXIFHSA-N 314.349 -0.349 30 20 DBED N#Cc1cncc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)c2cnnc(O)c2)n1 1064309351 NTGQMCVUNZCMHT-OLUVUFQESA-N 323.316 -0.149 30 20 DBED N#Cc1c(Cl)nsc1N1C[C@H]2C[C@H]1[C@H]2NC(=O)C(N)=O 1064336167 AYLUVPWKOJUPTA-PIYBLCFFSA-N 311.754 -0.153 30 20 DBED C=CCO[C@@H](C)C(=O)NC[C@@H]1CN(C(=O)c2cc[nH]n2)CCO1 1064890322 MBUPFKWBERKHGW-NWDGAFQWSA-N 322.365 -0.042 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)c2cn(C)nn2)CCO1 1065113139 BPSUUKVHAQLSTB-NSHDSACASA-N 307.354 -0.262 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CN(C(=O)CCCC(N)=O)CCO2)C1 1068409433 GPRUGNDSNBPGMB-NSHDSACASA-N 322.365 -0.759 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2n[nH]c(C)c2O)C1 1069910639 DRZKZQCVAQRKEM-MNOVXSKESA-N 317.353 -0.143 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCC1(NC(C)=O)CCOCC1 1069923065 GCGNORYNCKRBLJ-AWEZNQCLSA-N 307.394 -0.115 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@@H]1n1ccnn1 1070213860 YYZHMPQUHFCUNS-ILXRZTDVSA-N 318.425 -0.161 30 20 DBED C=CCN1C[C@H]2C[C@@H]3CN(C(=O)[C@H]4CCNC4=O)C[C@@]3(C1)O2 1070836458 XNXZCSXWHIDCPB-NFFDBFGFSA-N 305.378 -0.390 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)c2ccc(C#C)nc2)CC1 1071015899 ZPAWMVFKUYLMAI-UHFFFAOYSA-N 324.384 -0.040 30 20 DBED C#CCN1CC[C@@]2(C1)CN(C(=O)c1cc(=O)n(C)o1)C[C@H](C)O2 1071159877 SSJIPSBIPNXMAD-BLLLJJGKSA-N 319.361 -0.083 30 20 DBED C#CCCCC(=O)N1C[C@H](C)[C@@H](NC(=O)C2(NC(N)=O)CC2)C1 1071998113 CSSUVAQKBNBVKB-RYUDHWBXSA-N 320.393 -0.046 30 20 DBED C=CCCC(=O)N[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@@H]1C 1072166025 WJJSXWPNPGVCKL-CMPLNLGQSA-N 314.407 -0.040 30 20 DBED CCO[C@@H](C)C(=O)N1CC(N2CCN(C(=O)[C@@H](C)C#N)CC2)C1 1073597395 YGQQHGMKXFBBGI-STQMWFEESA-N 322.409 -0.074 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)Cn3ccccc3=O)C[C@@H]21 1074408047 PBBODRXKUAYBQW-LSDHHAIUSA-N 315.373 -0.217 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CCN(C(=O)C(C)(C)C(N)=O)CC1 1074619244 MEUJCMUDWCHBGH-JTQLQIEISA-N 324.381 -0.873 30 20 DBED C[C@@H]1C[C@H](NC(=O)CSCC#N)CCN1C(=O)CC(N)=O 1074840578 KBVOHBIKKFYIED-NXEZZACHSA-N 312.395 -0.386 30 20 DBED C[C@@H](CCNC(=O)C#CC1CC1)NC(=O)[C@H]1CCNC(=O)C1 1076423508 MKKFZNORIKSXFJ-AAEUAGOBSA-N 305.378 -0.063 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCCN2C(=O)CC)C1 1077044657 BZZPZGBWOHAIGJ-QLFBSQMISA-N 321.421 -0.038 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)c2c[nH]nc2[C@@H]2CCOC2)C1 1077457429 OAHVFWNGMJRNKH-MRVWCRGKSA-N 318.377 -0.288 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN(CC(=O)N3CCC3)C[C@H]2O)C1 1077641690 BLFMTSFUIMSJBA-CHWSQXEVSA-N 307.394 -0.264 30 20 DBED C[C@H](C#N)C(=O)NC1(CO)CCN(C(=O)c2ccn(C)n2)CC1 1080982362 YZIGHBXUXQHXOT-LLVKDONJSA-N 319.365 -0.337 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)c2ccn(C)n2)C[C@@H]1O 1081338826 WUCLXSVSVYWQHK-YPMHNXCESA-N 306.366 -0.065 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2CN(C(C)=O)C2)C1 1081436845 PCPJVEZXCVQTAT-GXTWGEPZSA-N 323.393 -0.634 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)c2ccnc3c2nnn3C)C1 1083731631 HPQDPXYLGGSOAH-NEPJUHHUSA-N 314.349 -0.839 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2cc(N3CCCC3)ncn2)C1 1083779856 XCRFEXHGGTVHMY-KGLIPLIRSA-N 315.377 -0.515 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(Cc3cnon3)C[C@@H]2O)cn1 1083970890 MMBZBFHRMGJRHY-KGLIPLIRSA-N 313.317 -0.579 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)c2ccc3nnn(C)c3c2)C1 1084001408 GICUKFMVLVVQBV-HIFRSBDPSA-N 313.361 -0.234 30 20 DBED C#Cc1ccc(C(=O)N(C)C[C@@H]2CCN2CC(=O)NC)nc1 1085930185 QFHCPVXQVKSFGT-ZDUSSCGKSA-N 300.362 -0.045 30 20 DBED C#CCN1C[C@H]2[C@@H]3CC[C@@H](CN3C(=O)CCn3cnnn3)[C@H]2C1 1089882326 XGBAUJCJAJXWFE-YJNKXOJESA-N 314.393 -0.135 30 20 DBED COC[C@@H](C)CC(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1O 1090476221 XMQMIYQFSVCVPN-CYZMBNFOSA-N 319.365 -0.313 30 20 DBED CCNC(=O)CC(=O)N1CCN(c2cnc(C#N)cn2)CC1 1093148739 OXOUTALZAXWPBB-UHFFFAOYSA-N 302.338 -0.477 30 20 DBED N#Cc1nccnc1NCCNC(=O)CC1CS(=O)(=O)C1 1093963614 PWUMLXXBHDIMBE-UHFFFAOYSA-N 309.351 -0.689 30 20 DBED C[C@]1(C(=O)NCCNc2nccnc2C#N)CCC(=O)NC1 1094059639 OPSSYPBHXLUTSW-AWEZNQCLSA-N 302.338 -0.207 30 20 DBED C=CCCN1CCN(C(=O)[C@@H](C)OC)[C@@H]2CS(=O)(=O)C[C@@H]21 1094609608 BTESNKUQODHKKQ-FRRDWIJNSA-N 316.423 -0.093 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)C3(F)CCOCC3)CC2=O)C1 1094744568 TXWMSOLDVCLIMY-LBPRGKRZSA-N 323.368 -0.460 30 20 DBED C=CCN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN1CCNC(=O)C1)C2 1094978819 VRNOEHBDMCIOJE-MJBXVCDLSA-N 306.410 -0.427 30 20 DBED N#Cc1ccc(N2CCN(CCNC(=O)C#CC3CC3)CC2)nn1 1096282162 BDJDGWOUXRZDKG-UHFFFAOYSA-N 324.388 0.000 30 20 DBED CCc1nc(C#N)cc(N2CC[C@H](NC(=O)CC(N)=O)C2)n1 1096349284 PLUFKERVZFAHBY-VIFPVBQESA-N 302.338 -0.519 30 20 DBED N#Cc1cncc(N[C@@H](CNC(=O)[C@H]2C[C@H]2C(N)=O)C2CC2)n1 1096808733 BPXKOMGEWKIBFN-WOPDTQHZSA-N 314.349 -0.224 30 20 DBED C[C@@H](CNC(=O)CN1CCCC1=O)Nc1cncc(C#N)n1 1097697597 XXDMPTHBFJMMKL-JTQLQIEISA-N 302.338 -0.113 30 20 DBED CC#CCN(CCO)C1CCN(C(=O)CNC(=O)NC)CC1 1098385981 JNCIOWGUUJPUEI-UHFFFAOYSA-N 310.398 -0.776 30 20 DBED C#CCNC(=O)CN(CCO)C1CCN(C(=O)[C@@H]2C[C@H]2C)CC1 1098449991 YJTIPMHLNZKKMT-UKRRQHHQSA-N 321.421 -0.323 30 20 DBED CNC(=O)NCCC(=O)NCC[C@H](C)Nc1ccc(C#N)nn1 1099095755 KRRQYZZNNAKCDH-JTQLQIEISA-N 319.369 -0.026 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)c2cc[n+]([O-])cc2)[C@H](O)C1 1099639744 OLLVFTPAJIELEL-HUUCEWRRSA-N 321.377 -0.312 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)c2cncs2)[C@@H](O)C1 1099699473 ZCBNABCPNMTMDV-QWRGUYRKSA-N 322.390 -0.943 30 20 DBED C=CCCC(=O)N[C@H]1CCN(CCN2C(=O)CNC2=O)C[C@H]1O 1099723402 HFOZFNOSTCMQQS-NWDGAFQWSA-N 324.381 -0.944 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(Cc2cn(CC)nn2)C[C@@H]1O 1099738094 IMCKAHSGUUXMLC-KBPBESRZSA-N 323.397 -0.448 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CCN(CCn2cncn2)C[C@@H]1O 1099820351 DBSHJPGTQHITDU-KGLIPLIRSA-N 305.382 -0.511 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CCN(CCNC(=O)C2CC2)C[C@@H]1O 1099826244 IJTIHFNCZNOOMO-CABCVRRESA-N 319.405 -0.523 30 20 DBED C=CCN1CC[C@H](NC(=O)C2(S(C)(=O)=O)CCC2)[C@H](O)C1 1100058195 OVQHXXDXDAZKQC-NWDGAFQWSA-N 316.423 -0.309 30 20 DBED CN(CCNC(=O)CCS(C)(=O)=O)c1ccnc(C#N)n1 1100394287 VGTAPEVLFJHTOM-UHFFFAOYSA-N 311.367 -0.665 30 20 DBED N#Cc1ccc(N2CCC[C@@H]2CNC(=O)Cn2nccn2)nn1 1100872352 VBRBBTQNLWWOHY-GFCCVEGCSA-N 312.337 -0.275 30 20 DBED CNC(=O)CC(=O)NCCN(c1nccnc1C#N)C1CC1 1101324796 RLLDDZCYKQLYIR-UHFFFAOYSA-N 302.338 -0.431 30 20 DBED C[C@H](CS(C)(=O)=O)C(=O)N1C[C@H]2CN(CC#N)C[C@@]2(C)C1 1101479302 IWBLHBZGGPXNKS-BZPMIXESSA-N 313.423 -0.029 30 20 DBED CN(CCN1CCN(c2ccc(C#N)cn2)CC1)C(=O)C(N)=O 1102422674 WQDLIMIWAVTVMX-UHFFFAOYSA-N 316.365 -0.981 30 20 DBED CCNC(=O)CC(=O)N(C)[C@@H]1CCN(c2nccnc2C#N)C1 1102695202 BGGWZLMXFMJLMD-LLVKDONJSA-N 316.365 -0.088 30 20 DBED CNC(=O)CCCC(=O)NC[C@H](C)CN=c1cc[nH]c(C#N)n1 1103958443 QACORELXWDAYDN-LLVKDONJSA-N 318.381 -0.149 30 20 DBED CNC(=O)CC(=O)NC[C@@H]1CN(c2ncccc2C#N)CCO1 1104308452 LKONQOIGVJIBPW-GFCCVEGCSA-N 317.349 -0.589 30 20 DBED CCNC(=O)CC(=O)N(C)CCN(C)c1cnc(C#N)cn1 1105369247 VDCKANCKEKCDIX-UHFFFAOYSA-N 304.354 -0.231 30 20 DBED Cc1nc(CC(=O)N(C)CCN(C)c2ccc(C#N)nn2)n[nH]1 1105388432 LNWAAFFLDUHXLU-UHFFFAOYSA-N 314.353 -0.088 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)CCN(C)c1ccc2nnnn2n1 1105469496 SPSILKMJDJXXFT-NSHDSACASA-N 317.353 -0.548 30 20 DBED Cn1cc(C(=O)NC[C@H](O)CNc2cnc(C#N)cn2)cn1 1105715967 FXOSARPUMDDLON-LLVKDONJSA-N 301.310 -0.715 30 20 DBED Cc1c(C(=O)NC[C@@H](O)CNc2ccc(C#N)cn2)nnn1C 1105762847 WHYYSKKOGILNBB-NSHDSACASA-N 315.337 -0.407 30 20 DBED CC(=O)NC(C)(C)C(=O)NC[C@@H](O)CNc1ccc(C#N)cn1 1105897246 AXXDPYODQQXTRW-LBPRGKRZSA-N 319.365 -0.243 30 20 DBED CC(C)[C@@H](C(=O)NC[C@@H](O)CN=c1cc[nH]cc1C#N)N(C)C 1105916868 BKHPGFUFWNNUAZ-ZFWWWQNUSA-N 319.409 -0.150 30 20 DBED Cc1ccc(C#N)c(NC[C@@H](O)CNC(=O)Cc2nc[nH]n2)n1 1105957931 PZVPAQCAETYFBM-NSHDSACASA-N 315.337 -0.489 30 20 DBED CN1C(=O)CC[C@H]1C(=O)NC[C@H](O)CNc1ncccc1C#N 1106055614 QSFHHOFREGVMJZ-NEPJUHHUSA-N 317.349 -0.537 30 20 DBED Cc1nocc1C(=O)NC[C@H](O)CN=c1cc[nH]cc1C#N 1106083270 LCOIYRJZIHSPKD-LLVKDONJSA-N 301.306 -0.126 30 20 DBED CN1C[C@@H](C(=O)NC[C@H](O)CNc2ncccc2C#N)CC1=O 1106143849 KLPWWVJLLJVMNF-NWDGAFQWSA-N 317.349 -0.679 30 20 DBED C[C@@H](CCNc1cncc(C#N)n1)NC(=O)[C@@H]1CN(C)CCO1 1106293108 BKPZXVYJNUEGED-AAEUAGOBSA-N 318.381 -0.014 30 20 DBED C=CCNC(=O)CNC[C@@H]1CN(C(=O)CC(=O)N(C)C)C[C@H]1C 1106741874 QIPVHLOCPCXBHP-CHWSQXEVSA-N 324.425 -0.549 30 20 DBED CCN(C)CCC(=O)N1C[C@@H](C)[C@H](CNCC(=O)NCC#N)C1 1106840290 GGAAWOWBRGFNLU-ZIAGYGMSSA-N 323.441 -0.348 30 20 DBED N#Cc1nccnc1NC/C=C/CNC(=O)CNC(=O)C1CC1 1107062066 ZOJKDEWWYVEXKE-OWOJBTEDSA-N 314.349 -0.041 30 20 DBED C#CCO[C@@H](C)C(=O)NCc1cn(C2CN(CC#CC)C2)nn1 1107170026 ZQJSWFWUIJOOJO-ZDUSSCGKSA-N 315.377 -0.187 30 20 DBED C=CCCOCC(=O)NCc1cn(C2CN(C[C@@H](C)O)C2)nn1 1107241530 YBEBJDHDJBOMTO-GFCCVEGCSA-N 323.397 -0.276 30 20 DBED C#CCNC(=O)CN1CCO[C@@](C)(CNC(=O)[C@@H](C)C2CC2)C1 1107848121 NODYDCSQYMNDOS-GUYCJALGSA-N 321.421 -0.011 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CC(=O)N(C2CN(C(C)C)C2)C1 1108546360 VDSFUXALCCYSJQ-CHWSQXEVSA-N 307.394 -0.166 30 20 DBED C[C@@H](CN(C)c1ccnc(C#N)n1)NC(=O)CCn1cnnn1 1109054165 SRGCAFKJFDDMCG-JTQLQIEISA-N 315.341 -0.634 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCNS(C)(=O)=O 1109088983 WDCXKMFRGWQOQK-USZNOCQGSA-N 314.411 -0.583 30 20 DBED CN(CCCNc1nccnc1C#N)C(=O)[C@H]1COC(=O)N1 1109424716 QXXQLLDEEMPBST-SNVBAGLBSA-N 304.310 -0.283 30 20 DBED COCCS(=O)(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC#N 1109457132 AQPXWHDHKNURMN-WOPDTQHZSA-N 315.395 -0.707 30 20 DBED Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCC#N)no1 1110263084 KFZFCEUOBZWARW-WZRBSPASSA-N 317.349 -0.042 30 20 DBED CC[C@H](OC)C(=O)NC[C@]1(O)CCN(c2ccc(C#N)nn2)C1 1111043270 BIYTYLGVMADIFK-SWLSCSKDSA-N 319.365 -0.169 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)[C@H]1CN(c2cnc(F)cn2)C[C@@H]1O 1111190913 YFXJBTAXKAKQFH-SRVKXCTJSA-N 322.340 -0.338 30 20 DBED N#Cc1nc(=NCC[C@H]2CCN(C(=O)CNC(N)=O)C2)cc[nH]1 1111593757 MODOXDMPIFBLHW-JTQLQIEISA-N 317.353 -0.911 30 20 DBED N#Cc1nccc(NC2(CNC(=O)[C@@H]3CCNC3=O)CCC2)n1 1111880913 WEGUPVHOBMGRHK-SNVBAGLBSA-N 314.349 -0.065 30 20 DBED CNC(=O)NCCC(=O)N[C@@H](C)[C@@H](C)Nc1cncc(C#N)n1 1113001048 IAQXWGFXTLDFAX-ZJUUUORDSA-N 319.369 -0.028 30 20 DBED CO[C@H]1CCC[C@H]1C(=O)N1CCN(CC(=O)NCC#N)CC1 1113040452 MXECWLUPVJEDQH-OLZOCXBDSA-N 308.382 -0.415 30 20 DBED C=CCO[C@H](C)C(=O)N1CCN([C@H]2CCC(=O)NC2=O)CC1 1113713285 NVBKIZLPTUPJFT-NEPJUHHUSA-N 309.366 -0.473 30 20 DBED C[C@H](CNC(=O)[C@@H]1CCC(=O)N1C)N(C)c1cnc(C#N)cn1 1113813741 WBPVLCQJUMUEKF-PWSUYJOCSA-N 316.365 -0.090 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3cnc(C)s3)[C@H]2C1 1113983480 OTWFPPSJWWKHGD-QWRGUYRKSA-N 318.402 -0.139 30 20 DBED C=C(Br)CN1C[C@@H]2C(NC(=O)CC(N)=O)[C@H]2C1 1114093744 UPHSVHRWNCRLOC-YUMQZZPRSA-N 302.172 -0.183 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)C[C@H]3CCCCO3)[C@@H]2C1 1114117460 PNIVOFYZKNBXMF-MGPQQGTHSA-N 319.405 -0.259 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)c3n[nH]cc3C)[C@H]2C1 1114231433 AWTGMZAMHMAVPH-QWRGUYRKSA-N 303.366 -0.320 30 20 DBED C=CCOCCN1C[C@H]2[C@H](NC(=O)CN3CCCNC3=O)[C@H]2C1 1114516015 PLMYFCPMPJZOJK-NHAGDIPZSA-N 322.409 -0.349 30 20 DBED CO[C@H](C(=O)NC1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]12)C1CCC1 1114639449 WTCILWQBIMAKRA-JMSVASOKSA-N 320.393 -0.512 30 20 DBED C=CCCOCC(=O)N[C@H]1[C@@H]2CN([C@H](C)C(=O)NC(N)=O)C[C@@H]21 1115329781 AUVXCZIOMBAMNC-DCQANWLSSA-N 324.381 -0.791 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CC[C@@H](CN(C)C)C1)[C@@H]1CCCO1 1116955187 LUFZIUYGIPTNAP-IHRRRGAJSA-N 307.394 -0.307 30 20 DBED C[C@H](CN1CCOCC1)NC(=O)C(=O)N1CC[C@@](F)(C#N)C1 1117038584 ZZNMPXMWAYHRKZ-BXUZGUMPSA-N 312.345 -0.713 30 20 DBED N#CCCC[C@@H](N)C(=O)NCCCN1CCC[C@H](C(N)=O)C1 1118131021 PXHCRUSZJYCZIQ-QWHCGFSZSA-N 309.414 -0.289 30 20 DBED Cc1cc(=N[C@@H](CO)CNC(=O)c2cocn2)c(C#N)c[nH]1 1121332510 RJUWBVSOOPRZFZ-LLVKDONJSA-N 301.306 -0.126 30 20 DBED C[C@@]1(C(=O)NC[C@H](CO)Nc2ccc(C#N)cn2)CNC(=O)C1 1122254342 JXTFTOUNFXSQOJ-ABAIWWIYSA-N 317.349 -0.632 30 20 DBED N#Cc1cnc(N[C@H](CO)CNC(=O)Cc2cnoc2)cn1 1122391661 SIKXEQCEYDQOGO-NSHDSACASA-N 302.294 -0.532 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)c1cc[nH]n1 1123912353 XJPLGRKQHVZQMD-VIFPVBQESA-N 308.342 -0.871 30 20 DBED CCC(=O)NCC(=O)N(C)C[C@@H](O)CNc1cnc(C#N)cn1 1124185853 TXZJLGCDFQATMZ-NSHDSACASA-N 320.353 -0.894 30 20 DBED CN(C)CCCC(=O)N(C)C[C@@H](O)CN=c1cc[nH]c(C#N)n1 1124684019 XJKCBOMEPSWHCE-LBPRGKRZSA-N 320.397 -0.657 30 20 DBED CN(C)CCC(=O)N(C)C[C@@H](O)CNc1cnc(C#N)cn1 1124708770 ILKBLRZGAOITBN-LBPRGKRZSA-N 306.370 -0.469 30 20 DBED COC[C@H](OC)C(=O)N(C)C[C@H](O)CNc1ncccc1C#N 1124721409 MYFYTEXCASGQHR-OLZOCXBDSA-N 322.365 -0.154 30 20 DBED CN(C[C@@H](O)CN(C)c1ccc(C#N)nn1)C(=O)[C@H]1CCOC1 1124994035 GCTSWAUMRSIFIG-AAEUAGOBSA-N 319.365 -0.360 30 20 DBED CN(C[C@@H](O)CN(C)c1ncc(C#N)cc1F)C(=O)CC(N)=O 1125023552 DESQVTPJFLYFPC-SNVBAGLBSA-N 323.328 -0.777 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)Cc1cc[nH]n1 1125164244 FYJAPFVQUXQMAM-UHFFFAOYSA-N 305.382 -0.141 30 20 DBED CC#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H](CC)N(C)C)C1 1129276256 CRNSLZHRUUHSAR-ILXRZTDVSA-N 318.425 -0.017 30 20 DBED C=CCCCN[C@@H]1CN(C(=O)CC(N)=O)C[C@@H]1n1ccnn1 1129699134 JWKNZXOSPZBEJX-NEPJUHHUSA-N 306.370 -0.539 30 20 DBED CC#CCN[C@@H]1CN(C(=O)c2cccnn2)C[C@@H]1n1ccnn1 1130050231 OYFDRASZRJULCN-KGLIPLIRSA-N 311.349 -0.253 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@@H]1CCc2nc(C)[nH]c2C1 1130491400 RUQBBVZNSHKPHE-GFCCVEGCSA-N 317.393 -0.722 30 20 DBED C[C@H]1CCc2n[nH]cc2[C@H]1C(=O)NCCNCC(=O)NCC#N 1131513524 HBTYZNACQHJNMK-HZMBPMFUSA-N 318.381 -0.579 30 20 DBED C#CCN1CC[C@]2(C1)CN(C(=O)COCCOC)C[C@H](C)O2 1131641440 FIAQWKGWXVTYFY-HOCLYGCPSA-N 310.394 -0.026 30 20 DBED C=CCOCCNCCNC(=O)[C@@H](CCC)S(N)(=O)=O 1131777395 KJRNRLKGNFZTLH-LLVKDONJSA-N 307.416 -0.648 30 20 DBED C#CCN1C[C@@H](NC(=O)CCS(=O)(=O)NC)CC[C@H]1C 1132038151 PKDLYESURPDFNF-NEPJUHHUSA-N 301.412 -0.472 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)[C@@H]1C[C@@]12CCOC2 1147004417 WVRPQEOWBFFAET-XJKSGUPXSA-N 322.409 -0.119 30 20 DBED C#CCNC(=O)CN1CCCO[C@H](CNC(=O)COCC=C)C1 1149383798 LWFPFXMOJYJRNX-CQSZACIVSA-N 323.393 -0.855 30 20 DBED C=CCN1CCCO[C@@H](CNC(=O)[C@H](C)N2C(=O)CCC2=O)C1 1149818850 VWSBTCFBLLMNGV-STQMWFEESA-N 323.393 -0.083 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)[C@@]2(C)CCNC(=O)C2)C1 1149886817 CGRHEWDEOXBHLT-CJNGLKHVSA-N 307.394 -0.257 30 20 DBED CN(C)[C@H](C(=O)NCCNCC(=O)NCC#N)c1ccccc1 1152521912 FOYAYVIYRDLBCV-HNNXBMFYSA-N 317.393 -0.365 30 20 DBED C=CCO[C@H](C)C(=O)NCCN[C@@H](C)C(=O)NCCCOC 1153160779 UGSGYZWERRATPS-QWHCGFSZSA-N 315.414 -0.176 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)c1n[nH]c(C)c1C 1155987524 RBZBTDWVYUCHMS-LBPRGKRZSA-N 305.382 -0.126 30 20 DBED CC(C)C#CC(=O)NCCCNCC(=O)N1CCO[C@H](C)C1 1157638761 MXRXCQUCKRFUDV-CQSZACIVSA-N 309.410 -0.011 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)C[C@@H](C)NC(N)=O 1157960749 ZRRAXVRGYPOTOR-GHMZBOCLSA-N 313.402 -0.780 30 20 DBED N#CCNC(=O)CNCCCNC(=O)c1cnn2ccncc12 1160011855 VQSMOHZETHHENR-UHFFFAOYSA-N 315.337 -0.921 30 20 DBED C=CCNC(=O)CNCCCNC(=O)c1ccnn1CCOC 1160622619 DUYIVKAIRWEYPB-UHFFFAOYSA-N 323.397 -0.459 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)COCC(F)F 1163208757 XFTDZALWTVYHAM-JTQLQIEISA-N 305.325 -0.498 30 20 DBED Cn1nnc(CNCC2(CCNC(=O)C#CC3CC3)CC2)n1 1164487130 IJFARVXCOLATME-UHFFFAOYSA-N 302.382 0.000 30 20 DBED C=CCn1cc(C(=O)NCCCNCC(=O)N(C)CC)nn1 1167831046 HMCZMGXDCWTTBC-UHFFFAOYSA-N 308.386 -0.348 30 20 DBED COCC#CCN[C@H]1CCN(C(=O)[C@H]2CN(C)C(=O)N2)[C@H]1C 1179300418 MVGPQYPHPRGYBR-RWMBFGLXSA-N 308.382 -0.761 30 20 DBED Cc1ncc(C(=O)N2CC[C@H](NCC(=O)NCC#N)[C@@H]2C)n1C 1179403238 GNYFXRPJPKFEDQ-JQWIXIFHSA-N 318.381 -0.439 30 20 DBED C=C(C)CCN[C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 1182693608 YWWXOYXUQHCPSE-LLVKDONJSA-N 306.370 -0.466 30 20 DBED N#CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H](F)C(F)(F)F)C1 1182718971 KDXMFGKNQBDBGI-VXNVDRBHSA-N 310.251 -0.283 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)c2cn(C(C)C)nn2)C1 1186622800 RACWQVFOFGIDCS-GFCCVEGCSA-N 320.397 -0.035 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)C2CCN(C(N)=O)CC2)C1 1187704006 MCEHGNVQZWRDSO-CQSZACIVSA-N 322.409 -0.383 30 20 DBED CNC(=O)NC(=O)CN1C[C@@H]2CCN(C(=O)C#CC(C)C)[C@@H]2C1 1187841237 UFYKDZORLCNPFY-QWHCGFSZSA-N 320.393 -0.366 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@H]1CCN(C(=O)CCOCC#C)C1 1190111979 BQDPICMAQBFLNL-CABCVRRESA-N 319.405 -0.303 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)CCn2cccn2)C1 1191141666 NHEPNVQAANEBMT-ZIAGYGMSSA-N 306.366 -0.916 30 20 DBED C=CCCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2cnn(C)n2)C[C@H]1O 1191607689 JFVRNARJCBMVHK-IACUBPJLSA-N 323.397 -0.542 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)CCOCC(F)F)C1 1193041905 SQIHYJZDJIHJCT-VXGBXAGGSA-N 320.336 -0.531 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)c2c(C)ncn2C)C1 1193934675 IEWBWZJTKKANEX-CHWSQXEVSA-N 306.366 -0.847 30 20 DBED C=CCOCC(=O)N1CCCN(C[C@H](O)Cn2cccn2)CC1 1195245973 RAUKNBCSRXXNEE-HNNXBMFYSA-N 322.409 -0.019 30 20 DBED C#CCCCC(=O)N1CCCN(Cc2nc(=O)n(C)[nH]2)CC1 1195645735 YSZCPWNTBMWWDY-UHFFFAOYSA-N 305.382 -0.054 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)CS(=O)(=O)C(C)(C)C)C1 1197799840 SMOSPLYBWHEWLS-VXGBXAGGSA-N 316.423 -0.616 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)CCC(=O)NCC)CC1 1199759202 PMQXXSVZZYYTTD-UHFFFAOYSA-N 324.425 -0.215 30 20 DBED N#CCNC(=O)CNC[C@H]1CN(C(=O)c2ccoc2)CCCO1 1199847612 SMLJMKSFTSBPPN-ZDUSSCGKSA-N 320.349 -0.260 30 20 DBED C=CCNC[C@@H]1CN(C(=O)CCS(=O)(=O)NC)CCCO1 1200502061 VISLUSBGPGOLPU-GFCCVEGCSA-N 319.427 -0.681 30 20 DBED C[C@H]1CO[C@@H](C(=O)N2CCC(CNCC(=O)NCC#N)CC2)C1 1205721839 BVWIYBFNQPVILL-TZMCWYRMSA-N 322.409 -0.121 30 20 DBED N#CCNC(=O)CN[C@H]1CCCN(C(=O)c2cnccn2)C1 1207107921 KDDZSQYHLHNENQ-NSHDSACASA-N 302.338 -0.689 30 20 DBED COC[C@H](O)CN[C@H]1CCCN(C(=O)CSCC#N)C1 1207409420 DZRBAQJDWYEJGF-NWDGAFQWSA-N 301.412 -0.169 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@H](NCCn2cccn2)C1 1207871816 CGNURBUREWGWSV-AWEZNQCLSA-N 317.393 -0.397 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)c2coc(C)n2)C1 1207883946 QMTUOHYZMAOYQD-GFCCVEGCSA-N 304.350 -0.073 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)C2CCC(O)CC2)C1 1207925023 VMKLENJESRWQRQ-SHARSMKWSA-N 321.421 -0.133 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@H](C)NC(=O)CC)C1 1208120611 ICHIMUCDNBKECB-QWHCGFSZSA-N 322.409 -0.769 30 20 DBED CCC[C@H](OC)C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1208288821 DXOZLRCTCRCCNE-UPJWGTAASA-N 310.398 -0.122 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)CCCN(C)C)C1 1209324760 VAPUCLWEPSKCER-CQSZACIVSA-N 308.426 -0.342 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)CCn1cccc1 1209713818 TZRXGONZFPQJFW-ZIAGYGMSSA-N 317.393 -0.046 30 20 DBED Cc1c[nH]c(C(=O)N2CCC[C@H](NCC(=O)NCC#N)C2)n1 1210044865 IUNBGBIDVQPALQ-NSHDSACASA-N 304.354 -0.448 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(CC(=O)NC2CC2)C[C@H]1OC 1212258543 VMWUBWIGHJWJJD-MRVWCRGKSA-N 323.393 -0.881 30 20 DBED C#CCN1C[C@@H](NC(=O)COCc2cc(C)on2)[C@H](OC)C1 1212448688 YJMZCZBSCQLKJM-ZIAGYGMSSA-N 307.350 -0.052 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@@H](NCc2cn(C)nn2)[C@H](C)C1 1214604446 BXGBRRLEQFQVSB-MBNYWOFBSA-N 305.382 -0.210 30 20 DBED C=C(C)CN[C@@H]1CN(C(=O)CS(=O)(=O)N(C)C)C[C@H]1C 1216618653 YAHKZAHTWUMPOI-VXGBXAGGSA-N 303.428 -0.110 30 20 DBED C=CCCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CN(C)C(=O)N1 1218428937 JAZATSVRAZEROA-HZSPNIEDSA-N 322.409 -0.112 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H](C)NC(=O)C1CCC1 1219074959 CMNNDVRQXHDPLM-VHDGCEQUSA-N 319.405 -0.164 30 20 DBED CCC(CC)C(=O)NCC(=O)N1CCO[C@@H]2CN(CC#N)C[C@@H]21 1219077040 GITBVJBZUDBMII-UONOGXRCSA-N 322.409 -0.026 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@@H](C)NC(=O)c2ccoc2)C1 1219684695 RWQOKYHOXIQEIF-RTXFEEFZSA-N 305.334 -0.808 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@](C)(C=C)CC)C1 1220292325 VAGREZDOYPKJQP-WWGRRREGSA-N 307.394 -0.501 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)C(C)(C)NC(=O)NCC)C1 1220467632 CSDWGILXQGOUHR-NEPJUHHUSA-N 310.398 -0.731 30 20 DBED CC(C)C[C@@H](C)CC(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@@H]1O 1220740438 IWNCNZFHPSVPPD-MCIONIFRSA-N 324.425 -0.140 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)C(=O)Nc2cc(C)on2)C1 1220973773 YOGDSAVUZRABPP-MNOVXSKESA-N 306.322 -0.894 30 20 DBED C=CCN1CCC(CNC(=O)CNS(=O)(=O)N(C)C)CC1 1224681935 FBTTVVMWTAVWIR-UHFFFAOYSA-N 318.443 -0.603 30 20 DBED CCN(C)CCC(=O)NCC1CCN(CC(=O)NCC#N)CC1 1225087335 BHLAHMJGAGAFPP-UHFFFAOYSA-N 323.441 -0.204 30 20 DBED COCC#CCN1CCC(NC(=O)C2CC(=O)NC(=O)C2)CC1 1229592311 AEWASXLIWFTUOS-UHFFFAOYSA-N 321.377 -0.730 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC(NC(=O)Cc2ncc[nH]2)CC1 1229723322 NMAAGNIBYBPKKK-LBPRGKRZSA-N 317.393 -0.329 30 20 DBED C#CCNC(=O)CC(=O)N(C)C[C@@H]1CCN1Cc1nnc(C)o1 1233810021 NUCHOPRHSSETIQ-LBPRGKRZSA-N 319.365 -0.450 30 20 DBED C=C[C@](C)(O)CC(=O)N(C)C[C@@H]1CCN1CCOCCO 1233935546 CEMKGRIZXXIMQL-ZFWWWQNUSA-N 300.399 -0.145 30 20 DBED C=CCNC(=O)NC(=O)CN(C)CCCNC(=O)[C@H](C)OC 1234594345 PRUCEJDMUAAMHC-NSHDSACASA-N 314.386 -0.529 30 20 DBED CO[C@@H]1CC[C@H](NC(=O)C(=O)N2CCN(CCC#N)CC2)C1 1261968585 JGUXLNPAYAGNSF-QWHCGFSZSA-N 308.382 -0.272 30 20 DBED CC(C)[C@H](C(=O)NC[C@@H](C)N(C)CC(=O)NCC#N)N(C)C 1282454568 DLXCRANXYJUSFE-TZMCWYRMSA-N 311.430 -0.351 30 20 DBED C#CCOCCNC(=O)C(=O)N1CC(C)(C)O[C@]2(CCOC2)C1 1322967211 RIYNBRRTMVOTKF-MRXNPFEDSA-N 324.377 -0.451 30 20 DBED C=C(CC)CNC(=O)C(=O)N1CCN(c2cnn(C)c2)C(=O)C1 1325618398 GWAPULHEGBKRQD-UHFFFAOYSA-N 319.365 -0.322 30 20 DBED Cc1cc(NC(=O)C(=O)N2C[C@@H](O)[C@H](CO)C2)ncc1C#N 1327085932 YBACPDFOGFLIKD-WDEREUQCSA-N 304.306 -0.988 30 20 DBED CC(C)C[C@H](CCO)CNC(=O)C(=O)N1CCO[C@@H](C#N)C1 1327211647 PYCRJEOCRDZMHM-STQMWFEESA-N 311.382 -0.102 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCCOCCF)C1=O 1329236913 ZUPQOLYELPUEMP-NSHDSACASA-N 315.345 -0.666 30 20 DBED N#CC[C@H]1CCCN(C(=O)C(=O)N2CCn3cnnc3C2)C1 1350203836 CCXFEONJTUWCMV-LLVKDONJSA-N 302.338 -0.227 30 20 DBED COC(=O)c1cccnc1Cn1c(=O)c(C#N)c(C)n(C)c1=O 1363752262 MVNZZCQAIIXSIR-UHFFFAOYSA-N 314.301 -0.043 30 20 DBED CC(C)CCS(=O)(=O)NCCn1cc(C#N)c(O)nc1=O 1364042138 YOGOCNKDHMPBMG-UHFFFAOYSA-N 314.367 -0.214 30 20 DBED C[C@H]1CN(CC(C)(C)O)CCN1c1[nH]c(=O)n(C)c(=O)c1C#N 1365223560 QCMASJIMTIJOJH-JTQLQIEISA-N 321.381 -0.773 30 20 DBED CN(CCNC(=O)c1cc(C#N)c[nH]1)C(=O)C1=COCCO1 1373396159 JFFYMUJYQILJBW-UHFFFAOYSA-N 304.306 -0.037 30 20 DBED C[C@H](CNC(=O)c1ccc(C#N)[nH]1)NC(=O)c1cn(C)nn1 1376906417 JPPFUTDGIMUONJ-MRVPVSSYSA-N 301.310 -0.437 30 20 DBED CCc1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1nnn(C)n1 1395943868 IVPJCMQZACCPQN-GFCCVEGCSA-N 305.321 -0.146 30 20 DBED CCN(CCNC(=O)c1cc(C(N)=O)c[nH]1)C(=O)[C@@H](C)C#N 1408787654 NTCFRRGKBZABHY-VIFPVBQESA-N 305.338 -0.148 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCC(=O)N1)N(C)C(=O)c1c[nH]c(C#N)c1 1411512519 VIBJEATUFZAKOT-JOYOIKCWSA-N 317.349 -0.258 30 20 DBED CC1(C)CNC(=O)[C@@H]1NCCS(=O)(=O)c1ccc(C#N)cn1 1422190657 NWGBZWFRIMTONU-LBPRGKRZSA-N 322.390 -0.159 30 20 DBED C[C@@H](O)C(=O)N1CCN(C(=O)CNc2ccc(C#N)cn2)CC1 1433872921 BIGVIPUEDMCGOF-LLVKDONJSA-N 317.349 -0.583 30 20 DBED C[C@@H](NC(=O)CCn1cc(C#N)c(O)nc1=O)c1ncc[nH]1 1434028999 IMVCNSRYRFFMOI-MRVPVSSYSA-N 302.294 -0.189 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)NC1CN(c2ccncn2)C1 1434613440 KTWUQUBHMIQBBO-JTQLQIEISA-N 310.383 -0.266 30 20 DBED CC(=O)NCC(=O)NC[C@@H](O)CNCc1ccccc1C#N 1445155116 XZRFDRHZYIBBLK-AWEZNQCLSA-N 304.350 -0.739 30 20 DBED N#CC1(CNC(=O)c2cnn(C[C@H](O)CO)c2)CCOCC1 1472339212 XMCLSAWNNJFLRG-LBPRGKRZSA-N 308.338 -0.714 30 20 DBED CC(C)NC(=O)CNCC1(O)CCN(C(=O)[C@H](C)C#N)CC1 1484949313 DNUROYZZIKRZNL-GFCCVEGCSA-N 310.398 -0.386 30 20 DBED COCC#CCN1CCC[C@H](NC(=O)CCn2ccnn2)C1 1494315727 CQAHXASYESGCGK-AWEZNQCLSA-N 305.382 -0.101 30 20 DBED CNC(=O)NCC(=O)N1CCCC2(C1)CN(C(=O)[C@H](C)C#N)C2 1509790322 DQMYDGPCHQJWOL-LLVKDONJSA-N 321.381 -0.474 30 20 DBED COCCN(CCNC(=O)Cn1cncn1)C(=O)[C@H](C)C#N 1511870643 IXSRMFYKFPXHLM-LLVKDONJSA-N 308.342 -0.971 30 20 DBED CCCCS(=O)(=O)CC(=O)NC[C@@H](C)NC(=O)[C@@H](C)C#N 1526671636 CDRVSCCZVDHFMB-WDEREUQCSA-N 317.411 -0.018 30 20 DBED CC(C)OC[C@@H](CO)N(C)c1cnc(-c2nn[nH]n2)c(C#N)n1 1574318829 ZJRUKULERBQHBV-SECBINFHSA-N 318.341 -0.250 30 20 DBED N#Cc1ncc(N2CCC[C@@H](OCCO)C2)nc1-c1nn[nH]n1 1581882244 QQQAXYXRAVHRNT-SECBINFHSA-N 316.325 -0.494 30 20 DBED C=CCO[C@H]1CCN(C(=O)C(=O)Nc2ccn(CC(=O)O)n2)C1 1588465261 UZFFPDATBYSSHK-JTQLQIEISA-N 322.321 -0.290 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N[C@]1(CC(=O)O)CCOC1 1589330479 GTHYFWYVYBLCBD-KOLCDFICSA-N 305.356 -0.454 30 20 DBED CNC(=O)CCCCC(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[nH]1 1591207366 YGPVSYUROYPOSF-UHFFFAOYSA-N 317.313 -0.294 30 20 DBED C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)N1CCC(C#N)(C(=O)O)CC1 1593426963 UUOYNKWRRYEHTR-KOLCDFICSA-N 323.349 -0.521 30 20 DBED C[C@H]1[C@@H](C(=O)O)CCN1C(=O)C(=O)N1CCN(CCC#N)CC1 1594140816 ZLEBUCVZZVVLOU-RYUDHWBXSA-N 322.365 -0.634 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N1C[C@@H](O)C[C@H](C(=O)O)C1 1596231474 OHWWCNZHVPBUIH-VWYCJHECSA-N 319.383 -0.520 30 20 DBED N#CCN(CCC(=O)O)C(=O)CNC(=O)c1cccc(O)c1 1601069952 HPKYETWVGZKGCK-UHFFFAOYSA-N 305.290 -0.051 30 20 DBED C#CCN(CC(=O)O)C(=O)c1nnn(-c2ccn(C)n2)c1C 1602692234 HERKRGRAXHFRKO-UHFFFAOYSA-N 302.294 -0.531 30 20 DBED CN(C)C[C@@](C)(C#N)NC(=O)c1ccc(-c2nn[nH]n2)nc1 1604677627 OVTULIYKSAWFOL-CYBMUJFWSA-N 300.326 -0.165 30 20 DBED CC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)Cn3cnc(C#N)n3)[C@H]2C1 1647204897 IOXSGPGSGOQGIL-RWMBFGLXSA-N 316.365 -0.087 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC[C@@H](NC(=O)c2cn(C)nn2)C1 1713060239 IENHQKCWKLHKIH-NWDGAFQWSA-N 318.381 -0.853 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)[C@@H](C)CC(N)=O)[C@H]2C1 1752845113 QEQQOHASUBRSFG-SVPLCASGSA-N 322.409 -0.765 30 20 DBED C#CCNC(=O)CN[C@H](C)CNC(=O)[C@H]1CCc2nccn2C1 1752882230 QLTYJKTXHHXJRI-OLZOCXBDSA-N 317.393 -0.711 30 20 DBED C#CCNC(=O)CN[C@H](C)CCNC(=O)[C@@H]1CCNC(=O)CC1 1753009148 CFTHUXCLKPWVIW-OLZOCXBDSA-N 322.409 -0.864 30 20 DBED CC(C)n1ccc(C(=O)NCCN(C)CC(=O)NCC#N)n1 1753067438 FAARRNHLAPNZHE-UHFFFAOYSA-N 306.370 -0.235 30 20 DBED COCC#CCN(C)C[C@H]1CCN(C(=O)[C@@H]2CN(C)C(=O)N2)C1 1753352184 KDYKEECWJDMRTH-KGLIPLIRSA-N 322.409 -0.560 30 20 DBED C#CCNC(=O)CN(C)CC1CCN(C(=O)c2cnn[nH]2)CC1 1753365108 KANTVYTZTYAMHD-UHFFFAOYSA-N 318.381 -0.662 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NCC1CN([C@@H](CC)C(N)=O)C1 1753411227 HBRDLXUOETXBGB-KBPBESRZSA-N 324.425 -0.231 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN([C@@H]2CCN(C)C2=O)CCO1 1753650757 YZSSKXWINQITJH-ZIAGYGMSSA-N 307.394 -0.162 30 20 DBED C[C@H]1CN(C(=O)CC2(O)CCC2)CC[C@@H]1NCC(=O)NCC#N 1753754878 ZUJOPYABAYKNCV-STQMWFEESA-N 322.409 -0.242 30 20 DBED C#CCN[C@H](CNC(=O)C[C@]1(C)CCS(=O)(=O)N1)C(C)C 1753843374 IABCPRIWNFLNBU-OCCSQVGLSA-N 315.439 -0.178 30 20 DBED C#Cc1ccc(C(=O)NC[C@H](O)CNCc2nc(O)n[nH]2)cc1 1753923125 CTINNJSAKGAECN-GFCCVEGCSA-N 315.333 -0.628 30 20 DBED C#CCNC(=O)CNCCN(CC)C(=O)Cc1cccnc1 1754049858 ZJWICUHIMUWIQM-UHFFFAOYSA-N 302.378 -0.188 30 20 DBED C=C(C)CN1CC(O)(CNC(=O)CS(=O)(=O)C(C)C)C1 1754780286 XNQFPXPNNBDKNY-UHFFFAOYSA-N 304.412 -0.451 30 20 DBED N#CCN1CCC[C@](CO)(NC(=O)[C@@H]2CCc3nncn3C2)C1 1754861444 MIJYDJKXUVQYHX-DOMZBBRYSA-N 318.381 -0.693 30 20 DBED C#CCNC(=O)[C@@H](C)NCC[C@@H]1CCN(C(=O)COCC)C1 1754902315 NHEDYEYSBNCMPX-ZIAGYGMSSA-N 309.410 -0.011 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)[C@H](CC(C)C)C(N)=O)CO2)C1 1755067872 LLPQWPJEOXENDT-CHWSQXEVSA-N 307.394 -0.273 30 20 DBED C#CCOCCC(=O)N1C[C@H](C)[C@@H](NCc2nc(O)n[nH]2)C1 1755109469 VOQMPVRPDDZBJT-QWRGUYRKSA-N 307.354 -0.513 30 20 DBED C#CCN1CCC(CO)(NC(=O)c2cn(C)nc2OC)CC1 1755179533 FQXLTVDMEUKRAU-UHFFFAOYSA-N 306.366 -0.381 30 20 DBED C#CCNC(=O)[C@H](C)NCC1CC(NC(=O)c2cnccn2)C1 1755204727 KUIYIFRQYBXRQA-HIFPTAJRSA-N 315.377 -0.288 30 20 DBED C#CCNC(=O)[C@H](C)NCC1CC(NC(=O)c2nc(C)c[nH]2)C1 1755217715 RHDYBLRJCAPUNJ-HIFPTAJRSA-N 317.393 -0.046 30 20 DBED C=C(C)CCC(=O)N[C@@H](C)[C@@H](C)NCC(=O)N1CCNC(=O)C1 1755237509 QAKUVFCAMJHEDJ-OLZOCXBDSA-N 324.425 -0.216 30 20 DBED COCC#CCN[C@H](C)CN(C)C(=O)[C@@H]1CCNC(=O)CC1 1755596778 NBYDLKKPXBGBBO-KGLIPLIRSA-N 309.410 -0.011 30 20 DBED C=CCCN[C@@H](CO)CNC(=O)Cc1nc2ncccn2n1 1755646279 MLQWIPTYFKLXLY-LLVKDONJSA-N 304.354 -0.690 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2cc(C)ncn2)[C@@H]1C 1755650645 PDMRPNBBLWRMSG-OLZOCXBDSA-N 315.377 -0.273 30 20 DBED C[C@@H]1[C@H](NC(=O)c2ccnnc2)CCCN1CC(=O)NCC#N 1755722868 PKQLQFCBVIAFBD-DGCLKSJQSA-N 316.365 -0.301 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C[C@@H]1CCCN1C(=O)c1cnn[nH]1 1755919385 GZUTXNFCVUQWCX-RYUDHWBXSA-N 319.365 -0.094 30 20 DBED C=CCOCC(=O)NC[C@@H](C)N(C)C(=O)[C@]1(C)CCC(=O)N1 1756012128 UQUIBJXLSOXTMV-ABAIWWIYSA-N 311.382 -0.179 30 20 DBED CC#CCCCC(=O)N1CC([C@@H](C)NC(=O)[C@H]2CNC(=O)N2)C1 1756154478 BLNYIPGAZZBBSR-DGCLKSJQSA-N 320.393 -0.176 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)COCC)C[C@H]2O)cn1 1757020318 WKDQODZLPSYYKJ-ZIAGYGMSSA-N 317.345 -0.599 30 20 DBED CC(C)C#CC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)[C@@H]2C1 1757246321 AQMZOTSEAGEKAX-YIYPIFLZSA-N 317.389 -0.174 30 20 DBED C#CCCCC(=O)N(C)C[C@@H]1CCN1C(=O)CNC(=O)NC 1757284985 QOXSYRGKVGHMNH-LBPRGKRZSA-N 308.382 -0.222 30 20 DBED C#CCNC(=O)CNS(=O)(=O)c1cc(C(=O)O)n(CC)c1 1776134763 QYNXPIJEWGPCMF-UHFFFAOYSA-N 313.335 -0.766 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#C)C2 1793347776 IVUZBMJWMCDTSE-GUIRCDHDSA-N 304.346 -0.753 30 20 DBED C[C@@H](CN)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CC1)C2 1795513044 ZWILJPZXKLPONN-RVMXOQNASA-N 320.393 -0.525 30 20 DBED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NC=O 1799294549 HBEZQOFRRZLESR-XPCVCDNBSA-N 321.377 -0.876 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(F)c[nH]1)C2 1800454804 DACKXUVKIOFHKT-WDAIWFPHSA-N 305.309 -0.010 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C#CC(=O)O 1847805932 XMXRHXPSHPOTST-AGIUHOORSA-N 318.329 -0.686 30 20 DBED C#CCNC(=O)COC(=O)CCc1c(C)nc2ncnn2c1C 7534996 KYPJREVUFOTTBB-UHFFFAOYSA-N 315.333 -0.034 30 20 DBED N#CCCCS(=O)(=O)N1CCN(CC(=O)NC2CC2)CC1 104108393 ZYMBAYABMRAEPY-UHFFFAOYSA-N 314.411 -0.484 30 20 DBED C#CCN1CCN(C(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)CC1 125900056 OCXUSXIHKBURBS-GFCCVEGCSA-N 315.439 -0.272 30 20 DBED Cc1c(C(=O)N[C@H](C)C#N)cnc2c1c(=O)n(C)c(=O)n2C 163365886 YOLDQWWHMYEMQV-SSDOTTSWSA-N 301.306 -0.418 30 20 DBED C#CCCCCC(=O)N1CCN(C(=O)Cn2cnnn2)CC1 179995667 WUUKIRVYIVGULO-UHFFFAOYSA-N 304.354 -0.463 30 20 DBED C/N=C(/NC[C@@H](C)N(C)C)N1CCN(c2cnn(C)c2)C(=O)C1 261700815 JECNVEGOLXLBFT-GFCCVEGCSA-N 321.429 -0.406 30 20 DBED N#C[C@@H]1CN(C(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)CCO1 264451456 CUIPRXBPJHWAML-CVNCSBKSSA-N 315.329 -0.456 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H](O)[C@@H](C)CC)C1=O 268655485 XBUZZVRPNDVVER-UWVGGRQHSA-N 311.338 -0.514 30 20 DBED CCS(=O)(=O)NCCNS(=O)(=O)c1ccc(C#N)cc1 298523781 WQCASJMMWARYLJ-UHFFFAOYSA-N 317.392 -0.224 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)NCCCN1CCOCC1 330373837 LVIIHMABULXEJX-LBPRGKRZSA-N 304.416 -0.365 30 20 DBED CCN(Cc1cnn(C)c1)S(=O)(=O)N1CCO[C@@H](C#N)C1 336916838 NRTKKRDCDMFMSF-LBPRGKRZSA-N 313.383 -0.289 30 20 DBED COCCN(CCC#N)S(=O)(=O)NC[C@@](C)(O)CCOC 337102220 WXQWRZITGHOAJJ-LBPRGKRZSA-N 323.415 -0.530 30 20 DBED COCCN([C@H](C)C(N)=O)S(=O)(=O)N(C)C[C@H](C)C#N 337103076 XSZANUUCUZGNOV-NXEZZACHSA-N 306.388 -0.855 30 20 DBED N#Cc1cccc(NCC(=O)NC[C@H](O)CN2CCOCC2)c1 340064080 QMMAQMMLNDQJNX-HNNXBMFYSA-N 318.377 -0.221 30 20 DBED CC#CCNC(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 342430374 LJYBZAFQXPKCIE-LBPRGKRZSA-N 317.411 -0.203 30 20 DBED C=C[C@H](CO)NC(=O)C(=O)Nc1cccc(-n2cnnn2)c1 354536286 AJODKNIAKQDIGY-SECBINFHSA-N 302.294 -0.736 30 20 DBED N#Cc1ccc2c(c1)N(C(=O)C(=O)NCCCOCCO)CC2 356154152 FGDFZKHCWVXVSO-UHFFFAOYSA-N 317.345 -0.037 30 20 DBED C[C@H](C(=O)N(CCC#N)CCN1CCOCC1)S(C)(=O)=O 358989971 KWLQPIBGHKWAHA-GFCCVEGCSA-N 317.411 -0.506 30 20 DBED N#Cc1cc([N+](=O)[O-])cnc1N1CCCN(CC(N)=O)CC1 362846072 FWUXNGJVFVNTRU-UHFFFAOYSA-N 304.310 -0.141 30 20 DBED N#CCNC(=O)CNC(=O)N1CCOc2cc(O)ccc2C1 377021590 WIWGXTUFPXVEJY-UHFFFAOYSA-N 304.306 -0.064 30 20 DBED CCCC[C@@H](NS(=O)(=O)N1CCO[C@H](C#N)C1)C(=O)O 417514483 YGZCZOSPXSNDLK-NXEZZACHSA-N 305.356 -0.311 30 20 DBED C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1C[C@@H]2CNCC[C@H]2C1 424548891 QKIMCQAJIYVMRV-XUXIUFHCSA-N 307.394 -0.238 30 20 DBED C#C[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1)C(C)C 490627295 BLSHIECEVDNUOX-JQWIXIFHSA-N 312.395 -0.139 30 20 DBED C#C[C@@H](CC)NS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 491373244 MGDXIUOSYRARSD-QMMMGPOBSA-N 307.331 -0.094 30 20 DBED COc1cc(C#N)ccc1S(=O)(=O)NC[C@H](OC)C(=O)O 548555882 RGHOPMMICFFDHF-JTQLQIEISA-N 314.319 -0.055 30 20 DBED CS(=O)(=O)CC(=O)N1CCN(c2cnccc2C#N)CC1 557746973 SCEWDQACYSNEBB-UHFFFAOYSA-N 308.363 -0.354 30 20 DBED Cc1cc(=NC(=O)c2nc(N)nc(N(C)C)n2)[nH]n1CCC#N 568146380 KZMDOKQMUGGIDP-UHFFFAOYSA-N 315.341 -0.387 30 20 DBED N#C[C@H]1CN(S(=O)(=O)N2CC[C@@H](n3cccn3)C2)CCO1 569657704 PGDAHWYUWKRTGV-NEPJUHHUSA-N 311.367 -0.401 30 20 DBED CN1CCC(CNc2cc(C#N)ncn2)(N2CCOCC2)CC1 596271060 XTOUGYHFIZRSBE-UHFFFAOYSA-N 316.409 0.557 30 20 DBED COC(=O)COCCNC(=O)C(=O)Nc1ccc(F)c(C#N)c1 600046983 POYRGQFDCVDSAN-UHFFFAOYSA-N 323.280 -0.058 30 20 DBED COCCN(C)CCN1C[C@H](Nc2cc(C#N)ncn2)CC1=O 601178444 QDWBZUQFYSRBCJ-CYBMUJFWSA-N 318.381 -0.061 30 20 DBED CCc1nn(C)cc1NC(=O)C(=O)N1CCN(CCC#N)CC1 602077597 FXOSOCYKONLTFP-UHFFFAOYSA-N 318.381 -0.021 30 20 DBED C=CCN(CCOC)C(=O)C(=O)NC[C@H]1CC(=O)N(CC)C1 653449548 UWQHQXJKLRXJAL-GFCCVEGCSA-N 311.382 -0.368 30 20 DBED Cc1ncc(C(=O)NCC#CCNC(=O)c2cnc(C)[nH]2)[nH]1 680369185 AUYKVPWOJCKJBV-UHFFFAOYSA-N 300.322 -0.087 30 20 DBED Cn1cc([C@H](O)CNS(=O)(=O)c2ccc(C#N)nc2)cn1 751455269 TUZQJGIKFRGEQK-GFCCVEGCSA-N 307.335 -0.301 30 20 DBED Cc1ccn(CN2CC(OCC(=O)N(C)C)C2)c(=O)c1C#N 758230876 LJXJFALWJNREQD-UHFFFAOYSA-N 304.350 -0.225 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)c1cn(CC2(C)COC2)nn1 759771708 ZCKKJDDFVRZWDV-JTQLQIEISA-N 306.322 -0.391 30 20 DBED C#C[C@H](NC(=O)C(=O)Nc1cc(C)c(=O)n(C)c1)[C@@H]1CCCO1 773791516 CIAXGCLBEWUAGK-STQMWFEESA-N 317.345 -0.071 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N1C[C@@H](CO)O[C@H](C)C1 786807295 BEQKXWCSWRQOJC-MNOVXSKESA-N 306.384 -0.622 30 20 DBED CCN1CCCN(C(=O)C(=O)Nc2cnn(CC#N)c2)CC1=O 787907335 BTZKIGKBEDCGAS-UHFFFAOYSA-N 318.337 -0.574 30 20 DBED C#C[C@H](NC(=O)NCCn1cc(C(=O)OC)nn1)[C@H]1CCCO1 790833284 BYHMKUWMARLUES-CMPLNLGQSA-N 321.337 -0.455 30 20 DBED C#C[C@H](NC(=O)C(=O)NCCC(=O)N[C@H](C)CC)[C@H]1CCCO1 793666552 NRQZGTXYEVOBJF-FRRDWIJNSA-N 323.393 -0.296 30 20 DBED C#CCC[C@H](O)CNC(=O)CN1C(=O)NC(CC)(CC)C1=O 799080734 MNBWDUHSRKOZBD-NSHDSACASA-N 309.366 -0.013 30 20 DBED C=CCS(=O)(=O)CCNC(=O)c1ccnc2c1nnn2C 800936820 UXVBZZYIHVNHDQ-UHFFFAOYSA-N 309.351 -0.306 30 20 DBED C[C@H](C#N)OCCOC(=O)c1cc(S(N)(=O)=O)cn1C 801814121 CXJDBDUAFMFPGA-MRVPVSSYSA-N 301.324 -0.242 30 20 DBED C#C[C@@H](NC(=O)C(=O)N(C)Cc1cnccn1)[C@@H]1CCCO1 809307232 BEZHFWXDMVFVID-OLZOCXBDSA-N 302.334 -0.268 30 20 DBED C#C[C@@H](NC(=O)C(=O)N1CCC(O)(COC)CC1)[C@@H]1CCCO1 809311839 WJEMDPYMBDNYLJ-OLZOCXBDSA-N 324.377 -0.717 30 20 DBED O=C(N[C@H]1CCCN(O)C1=O)c1sccc1-n1cnnn1 820481987 BUIAEENGIRZRNV-ZETCQYMHSA-N 308.323 -0.166 30 20 DBED O=C(CN1CCCC1)NCC#CCNC(=O)CN1CCCC1 821823563 MVSSZFKKVBJVRU-UHFFFAOYSA-N 306.410 -0.586 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](CC)OC)CC1 831561317 VQNGZLUKCPGEDJ-LLVKDONJSA-N 303.384 -0.977 30 20 DBED C[C@](C#N)(NC(=O)COC(=O)CN1C(=O)CCC1=O)C1CC1 844175901 LVAVMMUHLDXFPK-CQSZACIVSA-N 307.306 -0.513 30 20 DBED C=CCS(=O)(=O)CCNC(=O)NCC[C@@]1(O)CCCOC1 845106742 KLFKJFGKXCSMTK-ZDUSSCGKSA-N 320.411 -0.182 30 20 DBED CCOC(=O)[C@H](CC(=O)N[C@@H]1CCCN(O)C1=O)C(C)=O 854648197 ABPYVTHBRHVQOX-NXEZZACHSA-N 300.311 -0.359 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)c2conc2C)CC1 865178224 VNUAWPRDLDCUER-UHFFFAOYSA-N 304.350 -0.120 30 20 DBED C#CCNS(=O)(=O)N1CCN(c2ccncc2C#N)CC1 872633567 MEHZMBLJANSIIN-UHFFFAOYSA-N 305.363 -0.457 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)Cn2ccccc2=O)C1 937931764 ASKXZLQWBRILKB-RYUDHWBXSA-N 302.334 -0.275 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)CCn1cncn1)CCO2 949024788 QUSBMBKXYWXHPB-UHFFFAOYSA-N 317.393 -0.005 30 20 DBED C[C@@H](C#N)C(=O)N1CC(N(C)C(=O)[C@H]2CCC(=O)N(C)C2)C1 954503520 AKNHBKWWAJBEAN-QWRGUYRKSA-N 306.366 -0.316 30 20 DBED C=CCn1cccc1C(=O)NC[C@@H]1CN(CC(=O)NC)C[C@H]1O 958138962 JUPNRMBJORTSHB-TZMCWYRMSA-N 320.393 -0.557 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CC2=CCOCC2)C1 958949968 DKYRRTJHZSMGFF-UBHSHLNASA-N 321.377 -0.087 30 20 DBED C=C(C)CN1C[C@@H]2C(NC(=O)CN3CCCS3(=O)=O)[C@H]2C1 960188531 ZRGKWSDNGCYPOU-RYUDHWBXSA-N 313.423 -0.356 30 20 DBED C=C(Cl)CN1C[C@H]2C(NC(=O)C[C@@H]3NC(=O)NC3=O)[C@@H]2C1 960339707 VHDZBVXONNAGGP-HLTSFMKQSA-N 312.757 -0.617 30 20 DBED C=C(Cl)CN1C[C@H]2C(NC(=O)Cn3ncn(C)c3=O)[C@@H]2C1 960645400 GLARUFIHTMQQJW-NXEZZACHSA-N 311.773 -0.619 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H]2CN(C(=O)Cc3ncc[nH]3)C[C@@H]21 960877931 QUZMMAMBKYGWCN-SDDRHHMPSA-N 317.349 -0.450 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CN(C(=O)CC3CC3)C[C@@H]2O)nn1 963309997 JBSSGWVAFBMFCX-YPMHNXCESA-N 319.365 -0.434 30 20 DBED Cc1ncncc1C(=O)NC[C@@H]1COCCN1C(=O)[C@@H](C)C#N 964110581 IUKUJNJSBJORTD-CMPLNLGQSA-N 317.349 -0.098 30 20 DBED C=CCNC1CC2(C1)CC(NC(=O)CN1CCNC(=O)C1)C2 964605935 XESXKYZQYAUKOY-UHFFFAOYSA-N 306.410 -0.379 30 20 DBED C#CCN[C@@H]1CCN(C(=O)CCc2c(C)nc(O)nc2O)C1 969502542 FPINEIFYTUVNSH-LLVKDONJSA-N 304.350 -0.047 30 20 DBED C#CCN1C[C@H]2CC[C@H]1CN2C(=O)[C@@H]1CCN(C)S1(=O)=O 971911701 MGKJFQNVBGYNSN-XQQFMLRXSA-N 311.407 -0.671 30 20 DBED CC(=O)N1CC(C(=O)N2C[C@H]3CCN(C(=O)[C@H](C)C#N)C[C@H]32)C1 971947835 ZYRNJFYWGVGGQF-MPKXVKKWSA-N 318.377 -0.316 30 20 DBED CN(CC#N)[C@H]1CCN(C(=O)[C@H]2CN3CC4CC3(CO2)C4)C1 971969522 OOXRANWDEUDORE-IOSBVQAASA-N 304.394 -0.094 30 20 DBED C#CCCN1CCO[C@@]2(CCN(C(=O)[C@@H]3COC(=O)N3)C2)C1 972365385 SIDVRELOMSJNPA-WFASDCNBSA-N 307.350 -0.579 30 20 DBED C=CCN1CCO[C@@]2(CCN(C(=O)[C@H]3CN(C)C(=O)N3)C2)C1 972506017 XNEFQEPKZHMSLD-DOMZBBRYSA-N 308.382 -0.501 30 20 DBED N#CCN1CCO[C@@]2(CCN(C(=O)C34CCN(CC3)C4)C2)C1 972639972 CSWLLMWCFDPUEI-INIZCTEOSA-N 304.394 -0.091 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H](CNC(=O)c2ncn(C)n2)C1 975266414 RPGNWKQZMYDJAN-MNOVXSKESA-N 304.354 -0.057 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)C[C@@H]3CCC(=O)N3C)[C@H]2C1 976938303 IEOWPORKTUPNCU-TVEHIPJCSA-N 318.377 -0.270 30 20 DBED C#CCCN1CCCN(C(=O)Cn2ccc(O)nc2=O)CC1 981567119 VOLBFHCABLFKIB-UHFFFAOYSA-N 304.350 -0.494 30 20 DBED CC#CCN1CCCN(C(=O)c2cn(C)c(=O)nc2O)CC1 989656725 XFKKVLAKGLPFBG-UHFFFAOYSA-N 304.350 -0.343 30 20 DBED Cc1nnc(CC(=O)N2CC(NC(=O)c3cc(C#N)c[nH]3)C2)o1 990695154 JORYEEYOSBOIKE-UHFFFAOYSA-N 314.305 -0.239 30 20 DBED C[C@]12CN(C(=O)C#CC3CC3)C[C@H]1CN(C(=O)CC(N)=O)C2 992895557 MRJUPZBNMHRZNL-BLLLJJGKSA-N 303.362 -0.418 30 20 DBED N#Cc1ccc(C(=O)N2CC(NC(=O)[C@H]3CCCC(=O)N3)C2)[nH]1 994109102 ZGTHUTIDTFAEDA-LLVKDONJSA-N 315.333 -0.504 30 20 DBED C[C@@H]1[C@H](NC(=O)c2cn(C)c(=O)nc2O)CCCN1CC#N 994417993 VASLJFVEZCJIEL-MWLCHTKSSA-N 305.338 -0.408 30 20 DBED C[C@H](C#N)C(=O)N1CC(NC(=O)[C@H]2CCCc3nn[nH]c32)C1 998566390 BUWJVNRNIGHZQK-SCZZXKLOSA-N 302.338 -0.289 30 20 DBED N#Cc1ccc(C(=O)NCC2CN(C(=O)Cc3nc[nH]n3)C2)[nH]1 1001482395 MJEZXWXONMUJOD-UHFFFAOYSA-N 313.321 -0.565 30 20 DBED C=C(Cl)CN1CCC(NC(=O)Cn2ncn(C)c2=O)CC1 1003205606 KVAGGVCJDTYUET-UHFFFAOYSA-N 313.789 -0.085 30 20 DBED C=C(Cl)CN1CCC(NC(=O)CN2C(=O)CNC2=O)CC1 1004107079 CHADQUVEXPDDBZ-UHFFFAOYSA-N 314.773 -0.129 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnn[nH]3)C2)C1 1007672643 DAFGKHZEWWELRQ-IINYFYTJSA-N 318.337 -0.592 30 20 DBED C#CCCN1CCC[C@H](NC(=O)Cn2ccc(O)nc2=O)C1 1007831052 GGZZHBBHPGYMRF-LBPRGKRZSA-N 304.350 -0.447 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CC23CCN(CC(N)=O)CC3)nn1 1016867400 IWAGNIXLXRXYMY-GFCCVEGCSA-N 318.381 -0.466 30 20 DBED O=C1CC[C@@H](N2C[C@@H]3CC[C@H](C2)N3C(=O)C#CC2CC2)C(=O)N1 1017541944 NEUFGPWVWXKJOR-HZSPNIEDSA-N 315.373 -0.120 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnn(C)n2)C1 1024652076 SDMJDLCXQDHNNC-GHMZBOCLSA-N 307.354 -0.671 30 20 DBED C=C[C@](C)(CC)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnon2)C1 1025240371 ZFQHQIMJRXQDHH-JTNHKYCSSA-N 308.338 -0.027 30 20 DBED Cn1nnnc1CN1CCC[C@H]1CNC(=O)c1c[nH]c(C#N)c1 1027832800 JKHMKXGZHBRHDR-LBPRGKRZSA-N 314.353 -0.196 30 20 DBED CC#CCN1CCC[C@H]1CNC(=O)c1nccnc1C(N)=O 1028303197 AVCFZPAEUVRLOD-NSHDSACASA-N 301.350 -0.207 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H]2CCN(Cc3nc(O)n[nH]3)C2)c1 1028468631 ZUFPWCZVWAVLGX-SECBINFHSA-N 315.337 -0.038 30 20 DBED CN(C)C(=O)[C@@H]1CC[C@H](C(=O)NC[C@@H]2CCN(CC#N)C2)O1 1028802832 OMFMQHZPHJNLKO-XQQFMLRXSA-N 308.382 -0.416 30 20 DBED C#CCN1[C@H]2CC[C@H]1CN(C(=O)Cn1nc(C)ccc1=O)C2 1029559752 BWRSULOSIAUUCC-KBPBESRZSA-N 300.362 -0.140 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)[C@H]3CCN(C)C3=O)C2)C1=O 1030814792 VWURBYVLKKCNLM-OLZOCXBDSA-N 320.393 -0.948 30 20 DBED C=C(C)CN1CC(CNC(=O)c2cc(=O)n3[nH]cnc3n2)C1 1032127827 FRIJVIKIXDAQOB-UHFFFAOYSA-N 302.338 -0.345 30 20 DBED C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)c1cnc(O)n(C)c1=O 1032556911 CKVGMOJITLNNKA-QWRGUYRKSA-N 304.350 -0.039 30 20 DBED C[C@]1(CC(=O)N2C[C@@H]3C[C@H]2CN3CC#N)CCS(=O)(=O)N1 1032753601 ZKNATOYVNUMZQM-GMXVVIOVSA-N 312.395 -0.733 30 20 DBED C#CCCN1CCCC[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 1034420862 LAXKMUIVAOISIZ-NEPJUHHUSA-N 306.366 -0.422 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)[C@@H]2CCc3cncn3C2)C1 1035418432 HOFFVIWJQRERCR-HIFRSBDPSA-N 302.378 -0.104 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)[C@@H]2CCCN(C(N)=O)C2)C1 1035434974 KIPOTEKNUVVNFA-OLZOCXBDSA-N 308.382 -0.773 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)c2ccc(C(N)=O)s2)C1 1035543018 VDRDZUTZZULIAL-JTQLQIEISA-N 307.375 -0.089 30 20 DBED N#CCN1CCO[C@H](CNC(=O)c2cccnc2C(N)=O)C1 1035610087 LBFFSIVPXRPCQI-SNVBAGLBSA-N 303.322 -0.865 30 20 DBED C#CCCN1CCO[C@@H](CNC(=O)[C@@H]2CCC(=O)N(C)C2)C1 1035618349 ZOSYTWSAYSYARL-KGLIPLIRSA-N 307.394 -0.305 30 20 DBED CC#CCN1CC[C@@H]2CN(C(=O)CN3CCNC(=O)C3)CC[C@H]21 1036792769 VENGWRXIRJENCH-HUUCEWRRSA-N 318.421 -0.636 30 20 DBED C#CCN1CC[C@@H]1CNC(=O)c1c2n(c(=O)n1C)CCCC2 1038713120 UMRXZGQJLZUWOU-GFCCVEGCSA-N 302.378 -0.040 30 20 DBED C=C(Cl)CN1CC[C@@H]1CNC(=O)c1cc(=O)n2[nH]cnc2n1 1038923954 WFROHXUMFSVTJP-SECBINFHSA-N 322.756 -0.026 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)c2cncn2C)C1 1040235267 QQVJWGFMRBLVIE-HZMBPMFUSA-N 305.338 -0.727 30 20 DBED N#CCN1CCC[C@]2(CCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C2)C1 1040423819 HXLOHRDTUKSGCS-NHYWBVRUSA-N 319.365 -0.577 30 20 DBED N#CCN1CCC[C@]2(CCN(C(=O)CN3C(=O)CNC3=O)C2)C1 1040519590 NRZWYJJXQVGUMU-HNNXBMFYSA-N 319.365 -0.624 30 20 DBED C#CCCCC(=O)N1CC[C@](O)(CNC(=O)Cc2ncc[nH]2)C1 1040695191 PRGJLBHJKBHDPG-INIZCTEOSA-N 318.377 -0.165 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)Cc2ccoc2)C1 1042039952 MNUMBGRLZVVYEK-UHFFFAOYSA-N 308.334 -0.286 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)C(C)(C)COC)C1 1042052672 QMAIJXJAPREIJT-UHFFFAOYSA-N 314.382 -0.449 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)[C@@H]2CC2(C)C)C1 1042601702 XUDMVDKLBTVMMX-NEPJUHHUSA-N 308.378 -0.240 30 20 DBED CN(C(=O)c1ccc(C#N)[nH]1)C1CN(CC(=O)NC2CC2)C1 1042626342 CZQLJQXPKXSJDG-UHFFFAOYSA-N 301.350 -0.079 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)CN(CC)CC)C1 1042799145 JXPXSVLGSTUWHP-UHFFFAOYSA-N 309.410 -0.179 30 20 DBED COCC1(C(=O)N2CC(O)(CNC(=O)C#CC3CC3)C2)CCC1 1042964489 GRKLOPZTMCIISP-UHFFFAOYSA-N 320.389 -0.094 30 20 DBED C#CCN1CCC(C(=O)N(C)C2CN(CC(=O)N(C)C)C2)CC1 1044335831 QIOCQPCEQWRQRF-UHFFFAOYSA-N 320.437 -0.438 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)Cc2ccnn2C)C1 1044455847 LXMOQOQAIYRUKG-UHFFFAOYSA-N 320.393 -0.136 30 20 DBED C=CCCCC(=O)NCC1(O)CN(C(=O)[C@H]2CCN(C)C2)C1 1045458597 IHHPKEBQDPJMNM-ZDUSSCGKSA-N 309.410 -0.016 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)Cn2ccc(C)n2)C1 1046768453 ZNIGEJFCAPULSL-UHFFFAOYSA-N 306.366 -0.153 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCO[C@H]2C=C)C1 1046814705 OSILFTLPHPFIDB-OLZOCXBDSA-N 324.377 -0.530 30 20 DBED CC(C)C#CC(=O)N(C)[C@H]1CN(C(=O)C2=COCCO2)C[C@@H]1O 1048798542 KNUDOSGCXJQWTG-STQMWFEESA-N 322.361 -0.436 30 20 DBED C=CCO[C@H](C)C(=O)N(C)[C@H]1CN(C(=O)c2ncc[nH]2)C[C@@H]1O 1049010696 GFARBOVISWMQCS-WOPDTQHZSA-N 322.365 -0.356 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)CCn1ncn(C)c1=O)C2 1050602866 TWEJGECHKLQXRQ-UHFFFAOYSA-N 317.393 -0.471 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)c1ccnn1CCOC 1050970132 BVLPDGUUEBMVBP-CYBMUJFWSA-N 306.366 -0.407 30 20 DBED CC#CCN1CCOC[C@@H]1CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1 1051117355 ZPACPHJKRLPRRQ-RDBSUJKOSA-N 307.394 -0.272 30 20 DBED N#Cc1c[nH]c(C(=O)N2CCO[C@H](CN[C@@H]3CCNC3=O)C2)c1 1051524997 YZTHAPMKSJBMPB-VXGBXAGGSA-N 317.349 -0.795 30 20 DBED C=CCOCC(=O)N1C[C@@H](C)[C@H](CNC(=O)Cn2nccn2)C1 1052221297 PJNHKPYLTJNATK-CHWSQXEVSA-N 321.381 -0.309 30 20 DBED C=CCCN1CCC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)CC1 1052395237 NTPYZCVPAPORSX-GFCCVEGCSA-N 320.397 -0.076 30 20 DBED C#CCN1CC2(C1)CN(C(=O)c1nnn(C(C)(C)C)n1)CCO2 1053263255 JRHJUCGKULDMJH-UHFFFAOYSA-N 318.381 -0.412 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)C[C@@H](C)NC(N)=O)C[C@@H]2C1 1055341329 XUVWYSOIKIGTFA-WHOHXGKFSA-N 321.381 -0.490 30 20 DBED C=CCCC(=O)N1CCC[C@](CO)(NC(=O)[C@H]2CCNC2=O)C1 1056037224 YRVNCMHEAJUPIU-LRDDRELGSA-N 323.393 -0.442 30 20 DBED N#Cc1ccc(N2C[C@@H]3C(NC(=O)[C@H]4CCC(=O)N4)[C@H]3C2)nc1 1056147751 QWWWRESGWVRQJV-SDDRHHMPSA-N 311.345 -0.217 30 20 DBED N#Cc1nccnc1N[C@@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 1056744703 DGHTZBXXBYEENJ-NXEZZACHSA-N 300.322 -0.503 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)c1nnn(C)c1C 1057171251 UHWURTPSDBIJBM-UHFFFAOYSA-N 309.370 -0.360 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)c1ocnc1C 1057281737 GNEVBWMCPRLDQR-UHFFFAOYSA-N 311.338 -0.264 30 20 DBED C=C[C@@](C)(O)CC(=O)N(CCO)CCNC(=O)Cn1cccn1 1057449406 BMSAUJJWTXLFEP-OAHLLOKOSA-N 324.381 -0.853 30 20 DBED C=CCC(C)(C)C(=O)NCCN(CCO)C(=O)c1cnnn1C 1057475738 BLRCUFNNGTWHGC-UHFFFAOYSA-N 323.397 -0.032 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)Cc1cscn1 1057619360 JZRCQBIKQDNCON-JTQLQIEISA-N 310.379 -0.218 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)c1ccsn1 1057929913 SJKPSYAPQIHZOK-UHFFFAOYSA-N 313.379 -0.104 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)Cc1ccc(F)cn1 1057939777 FESPJCFMOOPOIO-NSHDSACASA-N 322.340 -0.140 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)Cc1ccc(O)nc1 1058121761 VRDWTQCNTQCKMQ-LLVKDONJSA-N 320.349 -0.574 30 20 DBED N#Cc1cnc(N2CCC[C@H](NC(=O)[C@H]3CCC(=O)N3)C2)cn1 1058127532 VOVFCXSPUOJPBX-CMPLNLGQSA-N 314.349 -0.288 30 20 DBED C=CC(C)(C)C(=O)N(CCO)CCNC(=O)[C@H]1COC(=O)N1 1058302493 VERJUVRNZWYYLQ-SNVBAGLBSA-N 313.354 -0.756 30 20 DBED N#Cc1cnc(N2CC[C@@H](NC(=O)Cn3cnnc3O)C2)cn1 1058321134 SIHCEQGPBBQIQP-SECBINFHSA-N 314.309 -0.960 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)C[C@H]1COC(=O)C1 1058653053 LHQXWQXVRSBXQG-GHMZBOCLSA-N 311.338 -0.964 30 20 DBED CN1CCO[C@@H](C(=O)N[C@H]2C[C@H](Nc3cnc(C#N)cn3)C2)C1 1059170746 PKJSCQXRSXBFJA-NQBHXWOUSA-N 316.365 -0.262 30 20 DBED N#Cc1nccnc1NC[C@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 1060955487 SXPDTLJGLPGRRM-MNOVXSKESA-N 314.349 -0.255 30 20 DBED C=CCOCC(=O)N1CCOC[C@H]1CNC(=O)c1cnccn1 1061222320 PVRYQRAKVYRUFH-GFCCVEGCSA-N 320.349 -0.364 30 20 DBED CC#CCCCC(=O)NC[C@@H]1COCCN1C(=O)CNC(N)=O 1061786042 VORRMVBVOWGJLU-GFCCVEGCSA-N 324.381 -0.808 30 20 DBED Cc1cc(C(=O)N2CCOC[C@H]2CNC(=O)[C@H](C)C#N)n[nH]1 1061848287 XVEIEQDTKACFEG-MWLCHTKSSA-N 305.338 -0.165 30 20 DBED CNC(=O)NCC(=O)N1CCCC[C@@H]1CNC(=O)[C@H](C)C#N 1062249786 HKZNMPBIWFNZRT-GHMZBOCLSA-N 309.370 -0.428 30 20 DBED C#CCCCC(=O)NCC1(NC(=O)[C@@H]2CN(C)C(=O)N2)CCC1 1062863643 QWVFEOGPXLZZCL-LBPRGKRZSA-N 320.393 -0.031 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)C2(NC(N)=O)CC2)CCO1 1065060774 CMHKWOWXVYWLTJ-NSHDSACASA-N 324.381 -0.503 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CN(C(=O)[C@@H]2[C@H]3COC[C@H]32)CCO1 1065481605 ZDWSCRJMSYPDKV-KVSVUVNWSA-N 307.350 -0.618 30 20 DBED C=CCCCC(=O)N1CCO[C@H](CNC(=O)[C@@H]2CCC(=O)N2)C1 1065544555 VQGKOIVCVZKLQD-OLZOCXBDSA-N 323.393 -0.035 30 20 DBED CNC(=O)CC(=O)N(C)CCCN(C)C(=O)c1ccc(C#N)[nH]1 1067211186 IBWKUCXTCWHAIY-UHFFFAOYSA-N 319.365 -0.057 30 20 DBED N#Cc1cnccc1N1C[C@H](O)[C@H](CNC(=O)c2ccncn2)C1 1067676430 PQAFJQQEIBFEDJ-DOMZBBRYSA-N 324.344 -0.030 30 20 DBED C[C@@H]1C[C@H](Nc2nccnc2C#N)CN1C(=O)c1nnn(C)n1 1069177818 GIVZXCPGWYUKBE-BDAKNGLRSA-N 313.325 -0.413 30 20 DBED C[C@H]1C[C@H](N=c2cc[nH]c(C#N)n2)CN1C(=O)c1nnn(C)n1 1069177912 HPHSUPXQFOBZPX-IUCAKERBSA-N 313.325 -0.991 30 20 DBED Cc1c(C(=O)NCc2cnn3c2CN(CC#N)CC3)nnn1C 1069855890 WSGDJXHICGLKLN-UHFFFAOYSA-N 314.353 -0.411 30 20 DBED C=CCO[C@H](C)C(=O)N1CCC[C@@H](NC(=O)Cn2cncn2)C1 1070905142 OXZICWMXVITKJF-CHWSQXEVSA-N 321.381 -0.024 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(C(=O)C(C)(C)F)C[C@@H]1C 1071453502 WABZVJKEKWRFEV-WDEREUQCSA-N 311.357 -0.163 30 20 DBED C=CCN1C[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)CC[C@H]1C 1071548728 KYZYZHNXAHZHIJ-OLZOCXBDSA-N 320.393 -0.298 30 20 DBED C#CCN1C[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)CC[C@H]1C 1071992351 KOJBMYACHZCFTB-GHMZBOCLSA-N 314.349 -0.367 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC(C)(NC(=O)c2cnn[nH]2)CC1 1073024964 CRSISRVFGLIFFO-LLVKDONJSA-N 319.365 -0.046 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCN(C(=O)c2cnn[nH]2)[C@@H](C)C1 1074990278 DCLPIYQRWLIXCL-NWDGAFQWSA-N 319.365 -0.046 30 20 DBED C=CCOCC(=O)N1CC[C@H](NC(=O)c2nnn(C)n2)C[C@@H]1C 1075109107 CSTKFIKYGHEIRL-QWRGUYRKSA-N 322.369 -0.478 30 20 DBED CNC(=O)NCCC(=O)NCC[C@H](C)NC(=O)C#CC1CC1 1076377460 WKQQIXVYSJUFMG-NSHDSACASA-N 308.382 -0.270 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)CN2CCCCCCC2=O)C1 1077093404 MYOTYBWAGHUUGA-ZIAGYGMSSA-N 307.394 -0.426 30 20 DBED Cn1ccc(-c2cc(C(=O)N[C@@H]3CN(CC#N)C[C@H]3O)n[nH]2)c1 1077113458 JTUPEVGOHHTYGW-ZIAGYGMSSA-N 314.349 -0.286 30 20 DBED CO[C@H]1CCn2cc(C(=O)N[C@@H]3CN(CC#N)C[C@H]3O)nc2C1 1077218043 OJQDMSKWYWCFAC-DMDPSCGWSA-N 319.365 -0.857 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)c2ccc3ncn(C)c3n2)C1 1077671731 AKLZPOOTAVFPMA-CHWSQXEVSA-N 301.350 -0.071 30 20 DBED C#CCN1C[C@@H](NC(=O)Cn2c(C)cc(C)nc2=O)[C@H](C)C1 1080679364 ARHMHTBAGAIGSQ-BXUZGUMPSA-N 302.378 -0.070 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CO)(NC(=O)[C@@H]2CCCO2)CC1 1080705764 SSTWOCKGWJWCLH-RYUDHWBXSA-N 309.366 -0.205 30 20 DBED C=CCCC(=O)N1CCC(CO)(NC(=O)Cn2cnnn2)CC1 1080713036 KWADZNINTWLTBV-UHFFFAOYSA-N 322.369 -0.891 30 20 DBED C=CCCCC(=O)N1C[C@H](O)[C@H](CNC(=O)CNC(C)=O)C1 1081204310 HRVAXKSOPHQHCI-OLZOCXBDSA-N 311.382 -0.586 30 20 DBED N#CCSCC(=O)NC[C@H]1CN(C(=O)CCCF)C[C@@H]1O 1081289312 KNQQYHUYRWLHHM-QWRGUYRKSA-N 317.386 -0.072 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](O)[C@H](CNC(=O)CC2(O)CCC2)C1 1081465682 KKUMMNXGSSPLJY-ZIAGYGMSSA-N 322.405 -0.114 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1081672282 WDMNZPZHEDIIKU-RLPMIEJPSA-N 308.378 -0.220 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@H]2CCCCS2(=O)=O)[C@H](OC)C1 1081792812 FYQXCSOZGHSFRN-JHJVBQTASA-N 314.407 -0.598 30 20 DBED C#CCCN1C[C@@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)[C@H](OC)C1 1081848050 JTKZUCPAVVZNED-KBUPBQIOSA-N 309.410 -0.456 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1081973805 UZBOAQMLKPFJAD-ODXJTPSBSA-N 309.366 -0.623 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@@H]1CCc2nn[nH]c2C1 1082324748 YZUGTSIUCZLDEA-OASPWFOLSA-N 304.354 -0.751 30 20 DBED CNC(=O)[C@H](C)N1C[C@H]2[C@@H](C1)OCCN2C(=O)C#CC1CC1 1083077660 SQGJFLAMUWRPPG-FPMFFAJLSA-N 305.378 -0.554 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CCC(=O)NC1 1083127377 MGBSKUKFZOHPNS-HZSPNIEDSA-N 305.378 -0.553 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)c2c(C)c[nH]c2CC(N)=O)C1 1083794689 INSPFKZHHMFPAJ-OLZOCXBDSA-N 320.393 -0.298 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCc3nnc(C)n3C2)C1 1084084048 DBPMSEKYMSGJLC-MJBXVCDLSA-N 317.393 -0.666 30 20 DBED N#CCN[C@H]1C[C@@H](CNC(=O)c2cn([C@@H]3CCOC3)nn2)C1 1086249774 OUDHWPCMZSPZLR-GRYCIOLGSA-N 304.354 -0.139 30 20 DBED CC(=O)N1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H](NCC#N)C2)C1 1086867180 WIIKMGFPEIYQLS-BFHYXJOUSA-N 308.382 -0.368 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2cccc(C(N)=O)c2)[C@H](O)C1 1090366085 XCNSLKXCPIGOPH-HUUCEWRRSA-N 315.373 -0.026 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cc(OC)nc(OC)c2)[C@H](O)C1 1090396294 ISSCXJCUWHBYJN-QWHCGFSZSA-N 319.361 -0.103 30 20 DBED CC(C)OCCC(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1O 1090397087 JWXYKTRJENHIKP-CHWSQXEVSA-N 319.365 -0.171 30 20 DBED N#CCN1CC[C@H](NC(=O)c2ncc3n2CCCC3)[C@@H](O)C1 1090828942 VDGWRKUJNUSLIH-STQMWFEESA-N 303.366 -0.092 30 20 DBED O=C(C#CC1CC1)N[C@H]1[C@@H]2CN(c3ccc4nnnn4n3)C[C@@H]21 1093264616 WAUAMRCXNUWTRD-HBYGRHMLSA-N 309.333 -0.517 30 20 DBED C#CCN1CC(OC2CCN(C(=O)[C@H]3COCCN3C)CC2)C1 1093529276 RGMNBZUJNHAVLB-MRXNPFEDSA-N 321.421 -0.358 30 20 DBED CS(=O)(=O)CCCC(=O)NCCN=c1cc[nH]cc1C#N 1093723558 XDXBWRYIEVDRBT-UHFFFAOYSA-N 310.379 -0.272 30 20 DBED COc1nn(C)cc1C(=O)NCCNc1cnc(C#N)cn1 1094033079 AEWJWZHXVLWCOM-UHFFFAOYSA-N 301.310 -0.068 30 20 DBED COCC(=O)N[C@@H](C)C(=O)NCCNc1ccc(C#N)nn1 1094185765 WDXNPYTUVAYFNV-VIFPVBQESA-N 306.326 -0.973 30 20 DBED C[C@H]1CN(C)C[C@@H]1C(=O)NCc1cn(C2CN(CC#N)C2)nn1 1094315922 CULKSGHXHAIPKU-FZMZJTMJSA-N 317.397 -0.528 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)c3cn(C)cn3)CC2=O)C1 1094721930 NLZJYVQSTSZQRY-LLVKDONJSA-N 303.366 -0.379 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)c3cncn3C)CC2=O)C1 1094753484 LUIUPXMLUXYWQX-NSHDSACASA-N 303.366 -0.379 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)C[C@@H]3CCC(=O)N3)CC2=O)C1 1094795635 UXPAVRXFDXZSTA-NWDGAFQWSA-N 320.393 -0.758 30 20 DBED Cc1cc(C#N)nc(N(C)CCCNC(=O)[C@@H]2CNC(=O)N2)n1 1095715501 PVSTZJKVHWSEIJ-NSHDSACASA-N 317.353 -0.719 30 20 DBED N#Cc1cnc(N(CCCNC(=O)CC(N)=O)C2CC2)cn1 1096017916 NYHZYEIRLKNLAS-UHFFFAOYSA-N 302.338 -0.301 30 20 DBED C[C@H](NC(N)=O)C(=O)N[C@H]1CCN(c2cncc(C#N)n2)C1 1096356356 SZYCLRIOGFZHNG-IUCAKERBSA-N 303.326 -0.900 30 20 DBED CS(=O)(=O)CC(=O)NC[C@@H](N=c1cc[nH]cc1C#N)C1CC1 1096611668 OIJHPZZCDIFBMS-CYBMUJFWSA-N 322.390 -0.274 30 20 DBED C[C@H](CNC(=O)CNC(=O)C1CC1)Nc1cncc(C#N)n1 1097687363 WVBDBWFCBFDSSR-SECBINFHSA-N 302.338 -0.209 30 20 DBED C[C@@H](CNC(=O)C1(C(=O)N(C)C)CC1)N=c1cc[nH]c(C#N)n1 1098043168 WQXWDINBTQCKCZ-JTQLQIEISA-N 316.365 -0.445 30 20 DBED CNC(=O)CN1CCC2(CC1)CN(C(=O)[C@H](C)C#N)C[C@@H](C)O2 1098574456 LRDSLVZEERQYHW-CHWSQXEVSA-N 322.409 -0.026 30 20 DBED N#CCN[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1C(F)(F)F 1099251049 GYSPYRGFHZBXOO-HTQZYQBOSA-N 303.248 -0.824 30 20 DBED C#CCCCCC(=O)N[C@H]1CCN(CC(=O)N(C)C)C[C@@H]1O 1099787238 VIZGUXUROVGHNH-KBPBESRZSA-N 309.410 -0.180 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)CC(C)(C)C=C)[C@@H](O)C1 1099846860 CWOHBPRMQZPLBT-KBPBESRZSA-N 321.421 -0.111 30 20 DBED CCNC(=O)CC(=O)NCCN(C)c1cc(C#N)nc(CC)n1 1100039024 MTTKWILNQKQWOW-UHFFFAOYSA-N 318.381 -0.011 30 20 DBED C=CCOCC(=O)NCC1CC(N[C@@H](C)C(=O)NC(N)=O)C1 1100187988 VRDVWYWWPVBWIB-WHXUTIOJSA-N 312.370 -0.743 30 20 DBED C[C@H](C#N)C(=O)NCC1CC(NCCNS(C)(=O)=O)C1 1100198302 WDFYFIJQRJMPCF-KPPDAEKUSA-N 302.400 -0.820 30 20 DBED CCN(CCNC(=O)[C@H]1CCC(=O)N1)c1ccnc(C#N)n1 1100467482 YXCVDDQAUQRHEH-SNVBAGLBSA-N 302.338 -0.431 30 20 DBED CNC(=O)CC(=O)NCC[C@H]1CCN(c2ccc(C#N)nn2)C1 1102311743 GCBVEVWAPRGJON-NSHDSACASA-N 316.365 -0.183 30 20 DBED CC[C@H](CNC(=O)[C@@H]1CNC(=O)N1)Nc1nc(C)cc(C#N)n1 1103278196 XIJOERHCNCCAJK-KOLCDFICSA-N 317.353 -0.355 30 20 DBED Cc1nc(O)[nH]c1C(=O)NC[C@@H](C)CN=c1cc[nH]c(C#N)n1 1104114977 QUKVEJSGFDABNX-QMMMGPOBSA-N 315.337 -0.015 30 20 DBED C=CCNCC[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@H]1C 1104366994 CQJBFNXWXPHPMG-CHWSQXEVSA-N 307.398 -0.158 30 20 DBED CCc1nc(C#N)cc(N[C@@H](CNC(=O)C(N)=O)C(C)C)n1 1105277661 JBURJANQPGJETG-JTQLQIEISA-N 304.354 -0.051 30 20 DBED CC(=O)N[C@H](C)C(=O)N1CCC(OC2CN(CC#N)C2)CC1 1105685002 PHEJPWCJWCAQQL-LLVKDONJSA-N 308.382 -0.274 30 20 DBED Cn1cc(C(=O)NC[C@@H](O)CNc2nccnc2C#N)cn1 1105716120 JLDQMMKMQBQBJM-JTQLQIEISA-N 301.310 -0.715 30 20 DBED N#Cc1nc(=NC[C@@H](O)CNC(=O)CCc2ccco2)cc[nH]1 1105743774 DLFXVVMZYZDVMW-LLVKDONJSA-N 315.333 -0.115 30 20 DBED CCNC(=O)CCC(=O)NC[C@@H](O)CNc1ncccc1C#N 1105746264 GASYQAGBIRIKCG-GFCCVEGCSA-N 319.365 -0.241 30 20 DBED CC(=O)N(C)CC(=O)NC[C@@H](O)CNc1ccc(C#N)nc1 1105755789 VULUSTQQVMZHNV-ZDUSSCGKSA-N 305.338 -0.679 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)[C@H]2CCCO2)C[C@H]1C 1105796971 YMRIWPCNGGDAGV-MGPQQGTHSA-N 307.394 -0.401 30 20 DBED Cn1ccc(C(=O)NC[C@@H](O)CNc2ncccc2C#N)n1 1105856239 QEYFJAKDHWGVIT-NSHDSACASA-N 300.322 -0.110 30 20 DBED CCN(C)CCC(=O)NC[C@H](O)CNc1nc(C)cc(C#N)n1 1105944645 WHCAJDAVIFGDDZ-ZDUSSCGKSA-N 320.397 -0.113 30 20 DBED Cc1nocc1C(=O)NC[C@H](O)CNc1cnc(C#N)cn1 1106083449 NUJQSGSCADYLNC-SNVBAGLBSA-N 302.294 -0.153 30 20 DBED C[C@@H]1OCCO[C@@H]1C(=O)NC[C@@H](O)CNc1ccc(C#N)nc1 1106160719 FGLCAOJSNAWXME-BPNCWPANSA-N 320.349 -0.354 30 20 DBED C[C@H](CCNc1ccc(C#N)cn1)NC(=O)[C@H]1CNC(=O)N1 1106542323 DMOVJKVUECQGLO-MWLCHTKSSA-N 302.338 -0.059 30 20 DBED CN1CCO[C@@H](C(=O)NC/C=C\CNc2nccnc2C#N)C1 1107093455 GDVNDUORTNKELI-XQJDBVBESA-N 316.365 -0.237 30 20 DBED C=CCN1CC(n2cc(CNC(=O)C3(C(=O)NC)CC3)nn2)C1 1107219267 NPEJHQOWDPVPNG-UHFFFAOYSA-N 318.381 -0.537 30 20 DBED CN1C(=O)CC[C@H]1C(=O)NC/C=C\CN=c1cc[nH]c(C#N)n1 1107451681 OXSNOGJISBDYSO-QUCGXOGASA-N 314.349 -0.525 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCO[C@@](C)(CNC(=O)C(C)C)C1 1107750607 WAWIXHGACGJQKE-CJNGLKHVSA-N 309.410 -0.013 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)C3(COC)CC3)CC2=O)C1 1108557702 WABNAXQLGCFYDB-GFCCVEGCSA-N 305.378 -0.553 30 20 DBED CC[C@@H](C(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1)N(C)C 1108577529 MCIUFVWCVCKRHB-YPMHNXCESA-N 307.398 -0.749 30 20 DBED CN(C)CCOCC(=O)NCC1(Nc2ccc(C#N)nn2)CC1 1110190436 WZILVFNHZFDHDU-UHFFFAOYSA-N 318.381 -0.013 30 20 DBED C[C@H](NC(N)=O)C(=O)N1CCC[C@H]1CNc1cncc(C#N)n1 1110539738 JALDMIKLOFHBMQ-ONGXEEELSA-N 317.353 -0.192 30 20 DBED C=CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCS(=O)(=O)NC 1110550625 XTFUZJHZMNPVIH-UTUOFQBUSA-N 301.412 -0.167 30 20 DBED C#CCOCCC(=O)N(CCO)CCNc1cncc(C#N)n1 1111510959 RIJBIPUCGQHGTB-UHFFFAOYSA-N 317.349 -0.379 30 20 DBED CN(CCCN(C)c1ncccc1C#N)C(=O)Cn1cnnn1 1112040364 HJLQAESOWJRCKN-UHFFFAOYSA-N 314.353 -0.075 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)C2=COCCO2)CC1 1112600894 SNKYUXQHANMWCV-LBPRGKRZSA-N 307.350 -0.843 30 20 DBED CCOCC(=O)NC[C@@H]1CN(c2ccncc2C#N)C[C@H]1O 1112692712 QZDKHNIEKNKAMA-TZMCWYRMSA-N 304.350 -0.097 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 1112754056 ITMBOXGMEZHSKZ-GFCCVEGCSA-N 313.361 -0.218 30 20 DBED C#CCNC(=O)CC(=O)N1CCN(CCc2cnn(C)c2)CC1 1112777619 FQUPSTHSVIGYFV-UHFFFAOYSA-N 317.393 -0.754 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)c2cncc(C#C)c2)CC1 1113331155 KOVYZVPJNLIQJF-CQSZACIVSA-N 324.384 -0.041 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)[C@@H](CC)NC(C)=O)CC1 1113368835 WVYPODFZGSKRQU-TZMCWYRMSA-N 324.425 -0.264 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)CC)[C@H]2C1 1113759426 DPXVTTMIWQZMOL-MEWQQHAOSA-N 308.382 -0.157 30 20 DBED C=CCCC(=O)NC1[C@@H]2CN(CCCN3C(=O)CNC3=O)C[C@@H]12 1114024522 BBAUTBMBFAVKEO-VXGBXAGGSA-N 320.393 -0.059 30 20 DBED C#CCO[C@H](C)C(=O)NC1[C@@H]2CN(CC(=O)NCCC)C[C@@H]12 1114271611 YDXNAKXYFMYXBB-JHJVBQTASA-N 307.394 -0.403 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CN(c2ccnc(C#N)n2)CC1(C)C 1114419914 XAEQDGNFIIXFHB-LLVKDONJSA-N 316.365 -0.185 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NC1[C@@H]2CN(CC(=O)NC)C[C@@H]12 1114932312 IBNHLFBZEUUXHR-UPJWGTAASA-N 322.409 -0.750 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)CCn3cccc3)[C@H]2C1 1115015266 BMIKETUDLMICSG-HALDLXJZSA-N 314.389 -0.326 30 20 DBED C[C@H](CN(C)C(=O)C[C@@H]1CCC(=O)N1)N=c1cc[nH]c(C#N)n1 1115782231 FTTGYENWNOIMIB-MNOVXSKESA-N 316.365 -0.302 30 20 DBED C=C[C@H](COC)NC(=O)CNS(=O)(=O)c1ccccc1N 1118755303 TYXXBBDPOFILHC-SNVBAGLBSA-N 313.379 -0.136 30 20 DBED C=C(C)COCCNC(=O)C(=O)N1CCO[C@H](COCC)C1 1119160117 KGJJSBCOLWFWBB-ZDUSSCGKSA-N 314.382 -0.041 30 20 DBED C#CCCn1nnnc1N1CCN(C(=O)c2cccn2C)CC1 1120236516 WVUIEYFEBQVAOJ-UHFFFAOYSA-N 313.365 -0.003 30 20 DBED C[C@@H](CN(C)C(=O)[C@H]1C[C@H]1C(N)=O)N=c1cc[nH]c(C#N)n1 1120706238 OTWSQRLOOZXXLT-AEJSXWLSSA-N 302.338 -0.850 30 20 DBED N#Cc1cncc(N[C@H](CO)CNC(=O)C2=COCCC2)n1 1121197384 JQWNYBWUHATMMJ-LBPRGKRZSA-N 303.322 -0.068 30 20 DBED CC(C)(C)C(=O)C(=O)NC[C@@H](CO)Nc1ccc(C#N)nn1 1121228472 HXDBYUFHQCRTOJ-JTQLQIEISA-N 305.338 -0.148 30 20 DBED COCCO[C@@H](C)C(=O)NC[C@@H](CO)Nc1ccc(C#N)cn1 1122011830 DDQXSDHGJDZZPE-AAEUAGOBSA-N 322.365 -0.106 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)C(C)(C)F 1122569839 VBRFZQHCWARDOT-VIFPVBQESA-N 302.350 -0.159 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)[C@H]1CCCO1 1124066657 YRKKSBBGPGNVTO-WDEREUQCSA-N 305.338 -0.820 30 20 DBED C[C@H](NCCNC(=O)[C@H](C)C#N)C(=O)NC(=O)NC(C)(C)C 1124895321 FYBJZIXUGCAMMO-ZJUUUORDSA-N 311.386 -0.135 30 20 DBED CN(C[C@H](O)CN(C)c1cnc(C#N)cn1)C(=O)c1cnn[nH]1 1125373851 JUVGTSOAXZPFFQ-SNVBAGLBSA-N 316.325 -0.964 30 20 DBED CS(=O)(=O)N1CC[C@@H](CNCCNC(=O)C#CC2CC2)C1 1126881503 VNPYDXZJOIIBTD-ZDUSSCGKSA-N 313.423 -0.613 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)C1(c2ccccn2)CC1 1127245667 JDMIYEOFCCIHKU-CYBMUJFWSA-N 314.389 -0.043 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@H]1C[C@H]2CCCCN2C1 1127257009 UVQOOASEXBBHRI-UONOGXRCSA-N 306.410 -0.684 30 20 DBED C=C(C)CNCc1cccc(N2CC[C@@H](NC(=O)C(N)=O)C2)n1 1128119433 VLFLLNKVFAZHAT-CYBMUJFWSA-N 317.393 -0.073 30 20 DBED C#CCC1(C(=O)NCCNCCn2cncn2)CCOCC1 1129120874 IKNMJUZMMQZBFA-UHFFFAOYSA-N 305.382 -0.196 30 20 DBED C#CCNC(=O)CNCCNC(=O)Cc1cnn2ccccc12 1129724662 HDDMXNWVVFIYEB-UHFFFAOYSA-N 313.361 -0.668 30 20 DBED C#CCN[C@@H]1CN(C(=O)C[C@@](C)(O)C=C)C[C@@H]1n1ccnn1 1129789094 UIJNTVMRHYCUPK-IPYPFGDCSA-N 303.366 -0.420 30 20 DBED COCCO[C@@H](C)C(=O)N1C[C@H]2C[C@@H]3CN(CC#N)C[C@]2(C1)O3 1131274360 VLHFMNLXJGZJBU-DSJMHWKBSA-N 323.393 -0.137 30 20 DBED C#CCNC(=O)CN1C[C@H](NC(=O)c2cnccn2)CC[C@H]1C 1131751135 FWHDCMGVWNDZDM-CHWSQXEVSA-N 315.377 -0.191 30 20 DBED N#CCNC(=O)CNCCNC(=O)[C@H](C1CC1)N1CCCC1 1131786529 VXIXHEGCOPWGFG-AWEZNQCLSA-N 307.398 -0.794 30 20 DBED C[C@@H]1CC[C@H](NC(=O)c2cocn2)CN1CC(=O)NCC#N 1131895637 KYPXZXHXZCQCGZ-MNOVXSKESA-N 305.338 -0.103 30 20 DBED C=C[C@H](C)[C@H](C)C(=O)NCCNCC(=O)N1CCNC(=O)C1 1132569458 RUMREYKNMFAIHI-RYUDHWBXSA-N 310.398 -0.891 30 20 DBED C#CCNC(=O)CNCCNC(=O)Cc1c[nH]c2cnccc12 1132844588 PMBOTUMXGQZTHQ-UHFFFAOYSA-N 313.361 -0.439 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)CCc1ncc[nH]1 1134228956 RJWDDUOVRUCETB-OLZOCXBDSA-N 319.409 -0.035 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)CCn1ccnc1 1135130934 BQIZXKAXMJKIAY-UONOGXRCSA-N 319.409 -0.105 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1ccc2c(c1)COC2 1135213007 XNNKRZSMBMVRSE-UHFFFAOYSA-N 301.346 -0.214 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@H](C)c1c(C)noc1C 1135313368 MSFBBSFGAFWKKQ-SNVBAGLBSA-N 306.366 -0.150 30 20 DBED N#CCNC(=O)CN1CCC2(C1)CN(C(=O)c1ccccn1)C2 1146876736 WPQGBKBDGYAPLH-UHFFFAOYSA-N 313.361 -0.131 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)[C@@H]1C[C@@]12CCOC2 1147007748 AEZDEQSFYJMXOC-XHDPSFHLSA-N 324.381 -0.869 30 20 DBED COCC#CCN1CCC2(C1)CN(C(=O)c1cncnc1O)C2 1147761063 VUMAGTCFOVIJCT-UHFFFAOYSA-N 316.361 -0.020 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@H]1Cc2cccnc2C1 1149187320 AZBGSEOKZHXJEU-ZDUSSCGKSA-N 300.362 -0.748 30 20 DBED N#CCN1CCCO[C@@H](CNC(=O)COC[C@H]2CCCO2)C1 1150832669 UNTYMWHCTHVNPU-KGLIPLIRSA-N 311.382 -0.087 30 20 DBED COCC#CCNCCNC(=O)CNC(=O)c1ccccn1 1152066998 LQGKRBFFAGJEJP-UHFFFAOYSA-N 304.350 -0.833 30 20 DBED C#CCN1CCC(C(=O)NCCNCCS(C)(=O)=O)CC1 1152335041 XKCPVHIRPIBENX-UHFFFAOYSA-N 315.439 -0.918 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)NCCN[C@H](C)C(=O)NC 1152404838 MZMXCIRXANGKCZ-SNVBAGLBSA-N 313.402 -0.910 30 20 DBED C#CCNC(=O)CC(=O)NCCCN[C@H](C)c1n[nH]c(C)n1 1156848130 SMDVHYLZAJLJJX-SNVBAGLBSA-N 306.370 -0.590 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)C(C)(C)C(N)=O)C1=O 1160396662 LWJBJMRFJPCYCI-NSHDSACASA-N 310.398 -0.619 30 20 DBED C#CCN1CCC(CNC(=O)CNC(=O)C2CC2)(COC)CC1 1162131496 GPIGEHKLNWNTPT-UHFFFAOYSA-N 321.421 -0.009 30 20 DBED C#CCCNCC1(CCNC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 1167345506 RIOUXISWRVLLIP-NSHDSACASA-N 306.366 -0.516 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)C[C@H]2CCC(=O)N2)C1=O 1168231626 KCSOEEKTQYFJOW-CHWSQXEVSA-N 322.409 -0.462 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)CCC(=O)NCCC 1171486990 CMWMVGLQKTUSQA-ZDUSSCGKSA-N 324.425 -0.473 30 20 DBED CCS(=O)(=O)CC(=O)N1CC[C@@H]2OCCN(CC#N)[C@H]2C1 1177151861 WBDOJBNLLGONKK-RYUDHWBXSA-N 315.395 -0.754 30 20 DBED C=CCNC(=O)CNCCCNC(=O)c1nn(CC)nc1C 1177504654 CHINQVUQPKUOOT-UHFFFAOYSA-N 308.386 -0.382 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H]2CC[C@H]1[C@@H](CNCC#N)C2 1177705680 AUOYVVVXCSELST-MJBXVCDLSA-N 302.378 -0.134 30 20 DBED CC#CCNC[C@]1(C)CN(C(=O)Cn2c(O)nnc2O)C[C@H]1C 1183291664 VZRQKIUJHAOHFI-IAQYHMDHSA-N 321.381 -0.213 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)CCc2nc(C)no2)C1 1184731997 WYBSRDUGURTYOY-GFCCVEGCSA-N 319.365 -0.749 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2conc2COC)C1 1187034760 NNMGIZILJYGCRJ-LLVKDONJSA-N 320.349 -0.626 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)[C@H]3CCCOC3)[C@@H]2C1 1187198271 CXRHDBHCHVFBMP-SOUVJXGZSA-N 319.405 -0.305 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3cn(C)cn3)[C@@H]2C1 1187522667 FQMPVGOISCHNSF-GXTWGEPZSA-N 315.377 -0.684 30 20 DBED CN(CC(=O)NCC#N)[C@H]1CCN(C(=O)Cc2ccn(C)n2)C1 1190066094 DELWXOBQTQBXSR-ZDUSSCGKSA-N 318.381 -0.865 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)CCOCC#C)C1 1190114598 SQZNCAMGMDGJQE-CQSZACIVSA-N 305.378 -0.692 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)C(C)(C)N(C)CC)C1 1191019128 JMPHFIZSUYNRKC-AWEZNQCLSA-N 322.453 -0.001 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)c2cn(C)nc2C)C1 1191806993 GWSSNVXTHUZWED-ZIAGYGMSSA-N 308.382 -0.294 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(CC(=O)NC2CCCC2)C[C@H]1O 1192751635 DOZIEYWKBXGBRS-HUUCEWRRSA-N 321.421 -0.134 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN([C@H](C)C(=O)NCC(C)C)C[C@H]1O 1192805040 PQJHCIHCNSMPPQ-RBSFLKMASA-N 323.437 -0.032 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)COCCOC)CC1 1195320871 AMKJPQOMRHXIRB-UHFFFAOYSA-N 313.398 -0.514 30 20 DBED C=CCNC[C@H]1CN(C(=O)CCNC(=O)COC)CCCO1 1200634617 HIGBWZAGNKPIQN-ZDUSSCGKSA-N 313.398 -0.468 30 20 DBED C#CCNC[C@H]1CN(C(=O)[C@H]2CCS(=O)(=O)C2)CCCO1 1200909969 CBUUCDUODFPIKM-STQMWFEESA-N 314.407 -0.739 30 20 DBED C=C(C)CNC[C@H]1CN(C(=O)[C@@H]2CC(=O)NC(=O)N2)CCCO1 1201507469 WKVYAGFLQINOSL-RYUDHWBXSA-N 324.381 -0.632 30 20 DBED CC[C@@H](C)C(=O)NCC(=O)N1CCCO[C@@H](CNCC#N)C1 1202088363 SWCNNZXCIRVQJW-OLZOCXBDSA-N 310.398 -0.121 30 20 DBED N#CCNC(=O)CNCC1CCN(C(=O)[C@@H]2CCCO2)CC1 1204386142 RAYNEIPHAPSKGS-ZDUSSCGKSA-N 308.382 -0.367 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)C[C@@H]2COC(=O)C2)C1 1207813275 JFUOWMOMUXCSLD-QWHCGFSZSA-N 323.393 -0.178 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)c2cc(=O)n(C)o2)C1 1207897622 DGXPHKXVHWBKQL-NSHDSACASA-N 322.365 -0.525 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2CCCNC2=O)C1 1208373904 RRSJXLXSUGYFTG-QWHCGFSZSA-N 322.409 -0.605 30 20 DBED C#CCCN[C@@H]1CCCN(C(=O)c2cn(C)c(=O)n(C)c2=O)C1 1209920822 KRCZAULXYNVUCS-GFCCVEGCSA-N 318.377 -0.699 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)C[C@H](C)COC)C1 1210417384 PYKVNOYBHKKXDW-KBPBESRZSA-N 309.410 -0.011 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)CN2CCCC2)[C@H](C)C1 1211031504 GLIOOUIJVQMVBT-ZIAGYGMSSA-N 308.426 -0.179 30 20 DBED C=C(C)CN[C@@H]1CCCN(C(=O)CNC(=O)Cn2cncn2)C1 1211233352 CEKQXIQPTZAIPN-CYBMUJFWSA-N 320.397 -0.449 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)c2[nH]cnc2CC)C[C@H]1C 1216611315 KINZTZNCAGKNOU-DGCLKSJQSA-N 317.393 -0.228 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)CCn2cccn2)C1 1219208046 LCFMOCACHRKHQW-KGLIPLIRSA-N 308.382 -0.363 30 20 DBED Cc1ncc(CN2C[C@H](O)[C@H](NC(=O)CSCC#N)C2)cn1 1219216485 NJJKOZXCLDCXTA-OLZOCXBDSA-N 321.406 -0.297 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)/C=C/C(C)(C)C)C1 1219376746 GMIBUAFMWBZKGG-VWWYUBIBSA-N 307.394 -0.501 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)c2c(C)cnn2C)C1 1220164842 YCZVZRZKRDTBKI-OLZOCXBDSA-N 306.366 -0.847 30 20 DBED CC#CCCCC(=O)N[C@@H]1CN(CC(=O)NCCC)C[C@@H]1O 1220184725 PUTHKYMQNXNJQO-KGLIPLIRSA-N 309.410 -0.133 30 20 DBED CCCC(C)(C)C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@@H]1O 1220254643 YMBYCRSLQFVFPN-NEPJUHHUSA-N 310.398 -0.386 30 20 DBED C=C[C@@](C)(CC)C(=O)N[C@@H]1CN(Cc2nc(O)n[nH]2)C[C@@H]1O 1220293660 PQTKUEGYQHJGPC-BFVZDQMLSA-N 309.370 -0.226 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)c2nccs2)C1 1220598338 ZQBWUAJMIDLQNG-AXFHLTTASA-N 324.406 -0.391 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)CNC(=O)c2cscn2)C1 1220701431 FJQCFIJUNAYMOO-PWSUYJOCSA-N 322.390 -0.943 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)CCc2nc3cnccc3[nH]2)C1 1220703061 GSVQTFACNXKYPL-KGLIPLIRSA-N 313.361 -0.315 30 20 DBED C=CCCCN1C[C@H](O)[C@H](NC(=O)CN2C(=O)CN(C)C2=O)C1 1220926936 HWZQXANRYDAASU-NEPJUHHUSA-N 324.381 -0.992 30 20 DBED C=C[C@@H](CC(=O)N[C@@H]1CN(CC(N)=O)C[C@@H]1O)c1ccccc1 1221042472 LRMOCZCQIBJVRP-CFVMTHIKSA-N 317.389 -0.007 30 20 DBED C=CCOCCN1CCC(CNC(=O)c2nnn(C)n2)CC1 1224095478 WSHTXLTYOUYQGO-UHFFFAOYSA-N 308.386 -0.146 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)CNC(=O)CCC)CC1 1226370233 YMBOWMUDBXMHJL-UHFFFAOYSA-N 324.425 -0.215 30 20 DBED N#CCNC(=O)CN1CCC(NC(=O)c2cncnc2)CC1 1226986198 PVSSAPBJIKKTMX-UHFFFAOYSA-N 302.338 -0.689 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCC(NC(=O)CC(=O)N(C)C)CC1 1229516089 DURLCEMNTLEGSL-GFCCVEGCSA-N 324.425 -0.264 30 20 DBED C=CCNC(=O)CN1CCC[C@H]1C1CCN(C(=O)C(N)=O)CC1 1230591792 JMPTVQOFYGPBCC-ZDUSSCGKSA-N 322.409 -0.523 30 20 DBED C=CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)C[C@@H]1COC(=O)C1 1233610374 HZEOWCLZCUDNMM-QWHCGFSZSA-N 323.393 -0.226 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C[C@@H]1CCN1CC(=O)NC1CC1 1234225593 OFQWKMVVRFISDZ-OCCSQVGLSA-N 307.394 -0.164 30 20 DBED C#CCOCCC(=O)N(C)C[C@@H]1CCN1[C@H]1CCCNC1=O 1234264838 DPIYTOKLOUIEBB-KBPBESRZSA-N 307.394 -0.162 30 20 DBED COC(=O)CN(CC#N)C(=O)C[C@H]1CCCS(=O)(=O)C1 1261241075 WSKFMLHMBCOGIL-SNVBAGLBSA-N 302.352 -0.274 30 20 DBED C=CCCOCC(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[nH]2)C1 1316993643 DUUANMSNTXXPBC-NSHDSACASA-N 309.370 -0.608 30 20 DBED CN(CCOCC1CC1)C(=O)C(=O)N1CC[C@](O)(CC#N)C1 1326227150 KZYANJSLOFAETH-OAHLLOKOSA-N 309.366 -0.252 30 20 DBED C#CCN1CCC(C(=O)NCCCCS(N)(=O)=O)CC1 1326385707 YKVGNGKXQLSRMM-UHFFFAOYSA-N 301.412 -0.484 30 20 DBED Cc1[nH]c(-c2ccncc2)nc(=O)c1CC(=O)NCC#CCO 1327097778 SLARWSQLCSBNGJ-UHFFFAOYSA-N 312.329 -0.205 30 20 DBED CC(C)(C)n1nnc(CNC(=O)C(=O)N2CC[C@](F)(C#N)C2)n1 1327177708 QPFAIGICSHYTDE-ZDUSSCGKSA-N 323.332 -0.492 30 20 DBED C=CCN(C(=O)C(=O)N1CCCO[C@@H](CN)C1)[C@H](C)COC 1327942367 YWHJNQUQFNLSFI-OLZOCXBDSA-N 313.398 -0.388 30 20 DBED C=CCOCCNC(=O)C(=O)NC[C@H]1CC[C@H](C(N)=O)CC1 1328143548 FAXFMXDAZZYMTD-HAQNSBGRSA-N 311.382 -0.287 30 20 DBED CN1CCN(C)[C@@H](CNC(=O)C(=O)N2CCC[C@@H](CC#N)C2)C1 1328920722 IIONAASQPAKXMA-KBPBESRZSA-N 321.425 -0.499 30 20 DBED C=C(C)COCCNC(=O)C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 1329042077 RPQWRKXRKMCSML-LLVKDONJSA-N 309.366 -0.425 30 20 DBED C=CCC1(O)CCN(C(=O)C(=O)N[C@H]2CC(=O)N(C)C2)CC1 1332109387 NEYJVEDPMOHMSV-NSHDSACASA-N 309.366 -0.737 30 20 DBED C#CCN(C(=O)C(=O)NCCCN(C)S(C)(=O)=O)C(C)C 1332791848 SSSUUKRFOHLTAK-UHFFFAOYSA-N 317.411 -0.746 30 20 DBED C#CCN1CCN(c2nnc(C3=NO[C@H](CO)C3)n2C)CC1 1338434206 QHJDHYJXSPPOIH-NSHDSACASA-N 304.354 -0.944 30 20 DBED CS(=O)(=O)N1CC[C@@H](CNS(=O)(=O)CCCCC#N)C1 1341082675 DSLNKBMWYSALNB-NSHDSACASA-N 323.440 -0.119 30 20 DBED C#C[C@H](NC(=O)C(=O)NC1CCN(C(C)=O)CC1)[C@H]1CCCO1 1344867894 SXUPVPZOZYGDCO-UONOGXRCSA-N 321.377 -0.590 30 20 DBED C[C@@H](CS(C)(=O)=O)NC(=O)C(=O)NCC#Cc1ccccc1 1344907595 CPUKJFVUJYGNCA-LBPRGKRZSA-N 322.386 -0.296 30 20 DBED Cc1nc(O)nc(O)c1CCC(=O)N[C@@H]1CCCN(O)C1=O 1346477749 OLWJZNXMHFBDBH-SECBINFHSA-N 310.310 -0.375 30 20 DBED CO[C@H](C)CNC(=O)C(=O)NCCNc1ncccc1C#N 1347437057 HWZBLUPASAFDPV-SNVBAGLBSA-N 305.338 -0.368 30 20 DBED CCCN(CC(C)(C)O)C(=O)C(=O)N1CC[C@](O)(CC#N)C1 1349337707 YQSQRXWEMUTOJS-OAHLLOKOSA-N 311.382 -0.127 30 20 DBED N#Cc1cn(CCC(=O)N2CCSC[C@H]2CO)c(=O)nc1O 1362176928 QNJLCYLQSLLTJT-SNVBAGLBSA-N 324.362 -0.853 30 20 DBED COc1cccc(C(=O)NCCn2cc(C#N)c(O)nc2=O)n1 1364109656 SEENECPQQFBHPP-UHFFFAOYSA-N 315.289 -0.346 30 20 DBED CN(c1[nH]c(=O)n(C)c(=O)c1C#N)[C@@H](CO)Cc1ccccc1 1364209686 BVCSXITYEYEPQP-GFCCVEGCSA-N 314.345 -0.015 30 20 DBED N#Cc1cncc(S(=O)(=O)N[C@H]2CCc3nnnn3CC2)c1 1365715340 QOVVBVYETCTVLY-JTQLQIEISA-N 319.350 -0.377 30 20 DBED CCN(CCC#N)C(=O)CN1CC[C@H](CNC(=O)COC)C1 1366673842 CMGCXNHRYSCWGH-CYBMUJFWSA-N 310.398 -0.167 30 20 DBED C[C@H](C#N)C(=O)NC[C@@](C)(NC(=O)CN1CCOCC1)C1CC1 1388260967 HPMSQYPOXPLTED-MLGOLLRUSA-N 322.409 -0.121 30 20 DBED CCN(CCC#N)C(=O)CN(C)CCNC(=O)[C@H]1CCCO1 1390736939 UPNGFCVXADCRQZ-CYBMUJFWSA-N 310.398 -0.024 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](NC(=O)CCCn2cncn2)C1 1396959213 ZBOZYWRPZWVGFZ-NEPJUHHUSA-N 304.354 -0.065 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C)CC(=O)NC(=O)NC(C)(C)C 1399436361 JILVYQIXPYSRIA-JTQLQIEISA-N 311.386 -0.182 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)[C@H]2CCCN(C(N)=O)C2)CC1 1400646269 ABYZTRANJCGXCF-MNOVXSKESA-N 321.381 -0.298 30 20 DBED C=C(Cl)CNC[C@@H](C)CNC(=O)c1nnc(O)nc1O 1405703776 GPKSIVWUAYBQJG-ZCFIWIBFSA-N 301.734 -0.009 30 20 DBED C[C@@H](C#N)C(=O)NCCN1CCN(C(=O)Cn2cccn2)CC1 1407447602 LRGCIGRPRYBFBK-ZDUSSCGKSA-N 318.381 -0.697 30 20 DBED CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)c1cc(C#N)c[nH]1 1411649923 WSPZMYSFXJGKTM-JTQLQIEISA-N 324.362 -0.738 30 20 DBED Cn1nccc1[C@H]1CN(C(=O)Cn2cnc(C#N)n2)CCO1 1413713775 KVJJNGHJVDXCDK-LLVKDONJSA-N 301.310 -0.517 30 20 DBED CC(C)S(=O)(=O)CC(=O)NC[C@H](C)CNC(=O)[C@H](C)C#N 1451579465 BWUIQWMUQQHBBU-WDEREUQCSA-N 317.411 -0.162 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CN(C)C(=O)c1n[nH]c2c1CCC2 1451889987 LQPUQSWYIYMXNW-UWVGGRQHSA-N 319.365 -0.393 30 20 DBED CCCN1C[C@@H](C(=O)N2CC(NC(=O)[C@H](C)C#N)C2)CC1=O 1456399785 VXUYEEXNCWFMJO-MNOVXSKESA-N 306.366 -0.268 30 20 DBED COC[C@@H](C)C(=O)NC[C@H](O)CNC(=O)c1cc(C#N)c[nH]1 1457943052 OEUBZTDNZZJJIT-KOLCDFICSA-N 308.338 -0.624 30 20 DBED C[C@H](C#N)C(=O)NC1CCN(C(=O)[C@H]2CCNC(=O)C2)CC1 1492080620 WNQIHGMUSOLVAS-MNOVXSKESA-N 306.366 -0.221 30 20 DBED C=C(Cl)CN(C)CCNC(=O)Cn1nc(C)n(C)c1=O 1492835984 URIIIIPIJWAARD-UHFFFAOYSA-N 301.778 -0.309 30 20 DBED C[C@H](C#N)C(=O)NCCN1CCN(C(=O)C[C@H]2CCCO2)CC1 1493184655 NDXPDCOBXADJDP-ZIAGYGMSSA-N 322.409 -0.024 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1C[C@@H](NC(=O)CCn2cncn2)C1 1514928140 FAKJEDIAMUMRIZ-UTUOFQBUSA-N 304.354 -0.161 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C)C(=O)c1ccc(C(N)=O)nc1 1528596709 MACFJWADOXXSLM-VIFPVBQESA-N 303.322 -0.472 30 20 DBED CN(C)C[C@]1(O)CCN(C(=O)CNc2ccc(C#N)cn2)C1 1548745094 CPOIFMTXFIXPQB-OAHLLOKOSA-N 303.366 -0.110 30 20 DBED C[C@@H](CCNC(=O)c1ccnc(O)c1)NCC(=O)NCC#N 1567211670 BEHOIMICFHJBAN-JTQLQIEISA-N 305.338 -0.475 30 20 DBED C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)NC(=O)[C@H](C)C#N 1574990987 HBSUOXZYGXJVHG-SFYZADRCSA-N 316.325 -0.411 30 20 DBED C#C[C@H](CO)NS(=O)(=O)c1cccc(F)c1-c1nn[nH]n1 1588327332 HDWKQNBUPDQYHU-SSDOTTSWSA-N 311.298 -0.722 30 20 DBED C#CCC[C@H](O)CNC(=O)c1nc(O)c(-c2nn[nH]n2)cc1C 1588337383 OJAZKBKIYXHYOX-VIFPVBQESA-N 316.321 -0.220 30 20 DBED C=CC(C)(C)CC(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@@H]2C(=O)O)C1 1588672890 DBPLJFXZFLBGIV-MNOVXSKESA-N 324.377 -0.001 30 20 DBED C[C@@H](CNC(=O)C#CC1CC1)Nc1cncc(-c2nn[nH]n2)n1 1589847853 LQEOOBBQYJDESB-VIFPVBQESA-N 312.337 -0.013 30 20 DBED N#Cc1ncc(N2CCN3CCOC[C@H]3C2)nc1-c1nn[nH]n1 1592708351 LDXZVHWVRSUIPP-SECBINFHSA-N 313.325 -0.951 30 20 DBED O=C(C#CC1CC1)N1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 1592766555 NPKOLIAMAJLTER-UHFFFAOYSA-N 324.348 -0.281 30 20 DBED COC[C@@]1(C(=O)O)CN(C(=O)c2ccc(C#N)nc2)CCO1 1593981061 WXYNTFXBIGBFQP-CQSZACIVSA-N 305.290 -0.105 30 20 DBED Cn1cc(C#N)c(NC(=O)N2C[C@H]3COC[C@@]3(C(=O)O)C2)n1 1594525258 BZKOWDKJGACZLK-ZANVPECISA-N 305.294 -0.143 30 20 DBED C[C@@H](CS(C)(=O)=O)C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[nH]1 1603572249 XKQGVNPDXWSTJG-YFKPBYRVSA-N 324.326 -0.919 30 20 DBED CCCN(C(=O)Cn1cc(C#N)c(O)nc1=O)[C@H](C)C(=O)O 1605298456 QSWWMRJASCYFIL-MRVPVSSYSA-N 308.294 -0.468 30 20 DBED N#Cc1cccc(-c2nn[nH]n2)c1N1CC[C@H](S(N)(=O)=O)C1 1609499559 XCYNMQAWTIEPDF-VIFPVBQESA-N 319.350 -0.394 30 20 DBED C#CCNC(=O)CNC[C@@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 1714087468 YYQVTLUIGMUFEW-GJZGRUSLSA-N 322.453 -0.096 30 20 DBED C#CCCN(CC)CCCNC(=O)CN1C(=O)CN(C)C1=O 1752230430 VXDXJGVXDNZZPC-UHFFFAOYSA-N 308.382 -0.268 30 20 DBED C=CCNC(=O)CN[C@H]1C[C@H](NC(=O)c2cncnc2O)C1 1752643012 WQRSDTFSQZFXLP-MGCOHNPYSA-N 305.338 -0.665 30 20 DBED C#CCNC(=O)[C@@H](C)NCCN(C)C(=O)CCn1cccn1 1753170908 PNLZOFLFPPSMGH-CYBMUJFWSA-N 305.382 -0.541 30 20 DBED C[C@@H](CC(=O)NC1CN(CC(=O)NCC#N)C1)[C@H]1CCCO1 1753392977 YQOIACFPZSTACY-WCQYABFASA-N 308.382 -0.368 30 20 DBED C#CCNC(=O)CNC1(CNC(=O)c2cnns2)CCCC1 1753661101 ZKNRJEULBDWBQK-UHFFFAOYSA-N 321.406 -0.080 30 20 DBED C#CCNC(=O)CNC[C@H](C)N(C)C(=O)c1cc(C#N)c[nH]1 1753686775 GHDXRBYPFVZANC-NSHDSACASA-N 301.350 -0.314 30 20 DBED C#CCNC(=O)CN[C@H](CNC(=O)c1cn(CC)cn1)C(C)C 1753844655 RGVOLPSHLJXMSG-CYBMUJFWSA-N 319.409 -0.004 30 20 DBED C=CCn1cc(C(=O)NC[C@H](O)CNCc2ocnc2C)nn1 1753930805 UVTAROXFBYLDHT-LLVKDONJSA-N 320.353 -0.359 30 20 DBED C#CCNC(=O)CNC[C@H](NC(=O)c1conc1C)C1CC1 1754450190 IKEPXOWBOZFXPU-ZDUSSCGKSA-N 304.350 -0.170 30 20 DBED C#CCN(C(=O)c1cnns1)C1CCN([C@H](C)C(N)=O)CC1 1754632731 ALRHTWIJNNOJMC-SNVBAGLBSA-N 321.406 -0.048 30 20 DBED C=CCCN1CC(O)(CNC(=O)CN(C)S(=O)(=O)CC)C1 1754777748 ZYJYBUTYQIIXMM-UHFFFAOYSA-N 319.427 -0.993 30 20 DBED N#CCNC1CCN(CCNC(=O)[C@H]2CC[C@@H]2C(N)=O)CC1 1754849500 VAYLYWVDJXUBFB-STQMWFEESA-N 307.398 -0.808 30 20 DBED CC#CCCCC(=O)N1CCO[C@H](CNCc2nnnn2C)C1 1755011328 VJKODSQVBKIDBD-CYBMUJFWSA-N 320.397 -0.279 30 20 DBED C#CCN1CCN(CCCCCNC(=O)c2cnn(C)n2)CC1 1755175264 MTIUHFQDKKHWCC-UHFFFAOYSA-N 318.425 -0.034 30 20 DBED CC#CCN(C)C[C@H]1CCCN1C(=O)CCNS(C)(=O)=O 1755194912 DXZRKFKAHGEMKA-CYBMUJFWSA-N 315.439 -0.128 30 20 DBED CC#CCNCC(C)(C)CN(C)C(=O)CNS(=O)(=O)NC 1755282980 KRGLOXAULHOVEH-UHFFFAOYSA-N 318.443 -0.862 30 20 DBED CC(C)[C@@H](CCN(C)C(=O)CN1CCC(=O)NC1=O)NCC#N 1755342931 NGQWQJQUYRSVAA-GFCCVEGCSA-N 323.397 -0.085 30 20 DBED C[C@H](CCCNCC(=O)NCC#N)NC(=O)[C@H]1CCCNC1=O 1755502841 XRAZZUZOOFFGST-NEPJUHHUSA-N 323.397 -0.973 30 20 DBED C#CCNCCCOCCNC(=O)[C@@H]1CCc2nncn2CC1 1755553299 FPAGPLPQYXGTNH-CQSZACIVSA-N 319.409 -0.024 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H](C)CN(C)C(=O)c1cc(C)ncn1 1755581758 NNZCZHHGPQCYKD-STQMWFEESA-N 317.393 -0.027 30 20 DBED C#CCN(C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCCN(C(C)=O)C1 1755802935 JGIFNTNQHVXNBO-HUUCEWRRSA-N 309.410 -0.371 30 20 DBED C#CCCCC(=O)NC[C@H]1C[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 1756264488 QXBJNQSLBYMKBW-LPWJVIDDSA-N 305.378 -0.078 30 20 DBED C#CCCCC(=O)NC[C@H](CO)NC(=O)[C@@]1(F)CCOC1 1756515008 DGWUHYIPSWQQQY-BXUZGUMPSA-N 300.330 -0.488 30 20 DBED C=C[C@H](CC)CC(=O)N[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1O 1757025724 PITMZIGUNWFZIB-GMTAPVOTSA-N 322.369 -0.886 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cnn(C)c1C)CCO2 1783049688 LTTFDLPJEDHVCP-INIZCTEOSA-N 316.361 -0.195 30 20 DBED CN(C)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC#N)C[C@@H]21 1786478175 ZRJYIYCUMIAWOE-IHRRRGAJSA-N 322.409 -0.169 30 20 DBED CC(C)(C)[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC#N)C2 1792910553 FHARDNANCRJFAQ-XCCSTKFXSA-N 323.393 -0.103 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccn(C)n1 1795811428 MYPLWXWALHUGOT-DRXBFXEBSA-N 316.361 -0.815 30 20 DBED NC[C@H](N)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C#CC1CC1)C2 1796778756 NXRPAZJDJJZCGI-CRWXNKLISA-N 304.394 -0.676 30 20 DBED N#CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncon1 1798349622 UXVUDADRHKSVDE-DOFRTFSJSA-N 305.294 -0.814 30 20 DBED N#CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1[C@H]2COC[C@H]21 1801601853 COEGBEGGGZJNQV-WYDCJEIBSA-N 319.361 -0.618 30 20 DBED C=CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@H](C)NC=O)C2 1841610471 MHPPBCLVPMFTSL-QWHCGFSZSA-N 323.393 -0.085 30 20 DBED CC(C)CNC(=O)C(=O)N1CC2(CCCN2C(=O)CC#N)C1 1842622281 VAPDQZBRDWVUPN-UHFFFAOYSA-N 306.366 -0.124 30 20 DBED N#CCCNC(=O)COC(=O)CN1C(=O)NC2(CCCC2)C1=O 5873944 JQZKVHSMCXKWCJ-UHFFFAOYSA-N 322.321 -0.576 30 20 DBED CCn1cc(C#N)c(=O)n(CC(=O)N[C@@](C)(C#N)C2CC2)c1=O 10852278 QYJVCKZSEBKBCU-HNNXBMFYSA-N 315.333 -0.290 30 20 DBED C#CCNC(=O)COC(=O)[C@H](C)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 136790731 PTQOEUVXAYDNMX-QJPTWQEYSA-N 320.345 -0.157 30 20 DBED N#CCCN(CCN1CCOCC1)C(=O)[C@@H]1CCC(=O)NC1 162494733 JQVQSMXLLLYZOA-CYBMUJFWSA-N 308.382 -0.413 30 20 DBED N/C(=N\CCc1ccc(S(N)(=O)=O)cc1)N1CCOCC1 264074075 GWBKCVFRDGJZOJ-UHFFFAOYSA-N 312.395 -0.477 30 20 DBED C#CCOc1ccccc1CNC(=O)Cn1ncn(C)c1=O 272407111 YRZUUFITWZNMEC-UHFFFAOYSA-N 300.318 -0.090 30 20 DBED C#C[C@@H](C)NC(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1 274762665 PKKQDPUFUJJRIE-KGLIPLIRSA-N 307.394 -0.162 30 20 DBED CCO[C@@H]1C[C@H](NC(=O)NCCn2cnc(C#N)n2)[C@@H]1OC 286984264 GTVZNAHBNKNIRT-UMNHJUIQSA-N 308.342 -0.359 30 20 DBED C#CCNC(=O)CCN1CCN(CCC(=O)NCC#C)[C@@H](C)C1 292677409 BNIYMWDQISWQKG-HNNXBMFYSA-N 318.421 -0.729 30 20 DBED CC#CCN(C)C(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 294348111 AVXUPJGGZVFRFB-UHFFFAOYSA-N 317.349 -0.695 30 20 DBED CN1CCO[C@@H]2CN(C(O)=Nc3ccc(C(N)=O)nc3)C[C@@H]21 329132429 PFXJHRNBEPGDCV-NWDGAFQWSA-N 305.338 -0.259 30 20 DBED N#Cc1ncn(CC/N=C(/O)N2CCO[C@]3(CCCOC3)C2)n1 329379094 PGTVUXWCVVDHIR-CQSZACIVSA-N 320.353 -0.055 30 20 DBED CCN(CCC#N)S(=O)(=O)NC[C@H](O)C1CCOCC1 337102222 WXRKUJISDUIKEQ-LBPRGKRZSA-N 305.400 -0.156 30 20 DBED CC(=O)N[C@H](CC(=O)N1CCc2ccc(C#N)cc21)C(N)=O 339818614 QYCHBTAUSLNUHG-GFCCVEGCSA-N 300.318 -0.173 30 20 DBED C[C@H](C(=O)NC1(C#N)CCC1)N1CCN(C(=O)CN(C)C)CC1 345763408 BPXTXUCKNOTSEJ-CYBMUJFWSA-N 321.425 -0.357 30 20 DBED CN(CC(=O)NCC#N)C[C@@H]1C[C@@H](F)CN1Cc1ccnn1C 348098982 GLRLBNUJTUETEN-OCCSQVGLSA-N 322.388 -0.096 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)c2nccc(C)n2)CC1 349432265 YFIRVDXRJLBMSC-UHFFFAOYSA-N 303.366 -0.155 30 20 DBED CNC(=O)[C@H](CO)NS(=O)(=O)c1cccc(Cl)c1C#N 358889956 OLCRKDYKLCQFIA-VIFPVBQESA-N 317.754 -0.403 30 20 DBED C=CCN1CC[C@@H](N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)C1=O 375613324 NIOUIPMGIPEYPR-VXGBXAGGSA-N 318.381 -0.199 30 20 DBED C#CCNC(=O)CN1CCN(Cc2noc(CCOC)n2)CC1 491230110 KXXNEZGCACSYRN-UHFFFAOYSA-N 321.381 -0.875 30 20 DBED C#CCNC(=O)CN1CCN(Cc2ccnc(OC)c2)CC1 491544881 NVDCGGWTTMCKLR-UHFFFAOYSA-N 302.378 -0.043 30 20 DBED C#C[C@@H](C)N(C)S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 491626390 SIXJPUUKEDJGGA-SECBINFHSA-N 302.377 -0.024 30 20 DBED COC(=O)c1ccc(N2CCN(C(=O)CO)CC2)c(C#N)n1 571940580 YDQKOHSONVFFDI-UHFFFAOYSA-N 304.306 -0.619 30 20 DBED CCN(CCC#N)S(=O)(=O)NCc1nnn(C(C)(C)C)n1 594476103 CLZBFMBBAPNXDL-UHFFFAOYSA-N 315.403 -0.002 30 20 DBED N#Cc1ncn(CCNC(=O)N2CCN([C@@H]3CCOC3)CC2)n1 595621351 NUCBFKQZDQMEOF-GFCCVEGCSA-N 319.369 -0.734 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1CC[C@@H]2NC(=O)CC[C@@H]2C1 595743071 PPZKTJNDFLPWFR-TUAOUCFPSA-N 308.382 -0.013 30 20 DBED Cn1c(=O)c2ccn(CC(=O)N[C@H](C#N)C3CC3)c2n(C)c1=O 610396983 NHJKIEAHXGKOHZ-LLVKDONJSA-N 315.333 -0.543 30 20 DBED N#C[C@H]1CN(S(=O)(=O)N[C@@H]2CCN(C3CC3)C2)CCO1 619708157 OADVPGJOJBLJNK-PWSUYJOCSA-N 300.384 -0.718 30 20 DBED CN1CCN(CC#CCN2CCC(=O)N(C)CC2)CCC1=O 661805893 AAZYOJCNXPGWJG-UHFFFAOYSA-N 306.410 -0.682 30 20 DBED CC#CC[C@@H](CO)NS(=O)(=O)c1cc(C(=O)O)n(C)c1 717773845 IGDYMBXIXMVWBG-VIFPVBQESA-N 300.336 -0.224 30 20 DBED CC(=NNC(=S)NCC(N)=O)c1ccc(OCC(=O)O)cc1 736127861 YKSCWBYNEJSIOM-UHFFFAOYSA-N 324.362 -0.177 30 20 DBED COCCNC(=O)[C@@H](C#N)C(=O)CCn1cc([N+](=O)[O-])nc1C 750392041 JSSQFCISWAJHRH-JTQLQIEISA-N 323.309 -0.039 30 20 DBED O=C(O)Cn1cc(C=NNc2ccc(-n3ccnc3)nn2)nn1 761848474 YQFZFWQBADVMOP-UHFFFAOYSA-N 313.281 -0.216 30 20 DBED C#C[C@H](N[C@H](C)C(=O)N1CCN(C(C)=O)CC1)[C@@H]1CCCO1 775801152 STCCXRQDUDYUNP-SNPRPXQTSA-N 307.394 -0.164 30 20 DBED C#C[C@@H](NC(=O)C(=O)NCCc1ccnn1C)[C@H]1CCCO1 808018691 ODHJJXXUUSVXAQ-CHWSQXEVSA-N 304.350 -0.624 30 20 DBED C#CCNC(=O)[C@@H](C)OC(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O 815474159 BEZBGDDHDOBYRD-UTUOFQBUSA-N 318.329 -0.381 30 20 DBED CN(C)C(=O)CN1CCC(NC(=O)[C@](C)(C#N)CC(=O)O)CC1 820530502 POSIPOSFJCUZJM-HNNXBMFYSA-N 324.381 -0.340 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CCN(C)[C@@H]2C)CC1 825727759 WZNQQZRNGOVNAY-ZIAGYGMSSA-N 306.410 -0.780 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)c2ccnc(C)n2)CC1 831557010 ZIAWJKPIXRSGJE-UHFFFAOYSA-N 323.378 -0.990 30 20 DBED N#C[C@@H]1CNC[C@H]1NC(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O 834499727 MAIPBNNAGNWEDD-WISYIIOYSA-N 304.350 -0.611 30 20 DBED CCOC(=O)CON=C(C(=O)N1CC[C@@H](O)[C@H]1C)c1cc[nH]n1 837012926 OBMBDURLVCXLMD-MWLCHTKSSA-N 324.337 -0.325 30 20 DBED C#C[C@H](NC(=O)CN(C)S(=O)(=O)N(C)C)[C@H]1CCCO1 845957882 YNTLYTPAXSQMDC-WDEREUQCSA-N 303.384 -0.978 30 20 DBED CN(C)S(=O)(=O)c1cc(C(=O)NCC#CCO)ccc1F 848040522 LTJNAAXNOHHKSQ-UHFFFAOYSA-N 314.338 -0.199 30 20 DBED C#C[C@H](C)NC(=O)C1(C(=O)N[C@@H](C)C#C)C[C@H]1S(C)(=O)=O 867501219 DRATVEYNYWUERZ-GARJFASQSA-N 310.375 -0.935 30 20 DBED C#CCN(C)CCCNC(=O)CN1CCCCS1(=O)=O 908436769 HUOPSSYOJXXWQR-UHFFFAOYSA-N 301.412 -0.517 30 20 DBED N#CCCN1CCN(C(=O)C(=O)N2CC[C@H](CCN)C2)CC1 926397023 OGLLOAFKPLRAOY-ZDUSSCGKSA-N 307.398 -0.758 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CCN(C(=O)c3cnon3)C2)c1 939932068 ISDNXYNBJCFOCP-SECBINFHSA-N 300.278 -0.086 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](NC(=O)c2cc(C(N)=O)ccn2)C1 941489513 KGEYODUZRZRRBS-MWLCHTKSSA-N 315.333 -0.329 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2[C@H]3C[C@H]2N(C(=O)c2cnn[nH]2)C3)cn1 947673559 SPXQQFHZWQXDLT-ZLKJLUDKSA-N 322.328 -0.176 30 20 DBED NC(=O)CC(=O)N1CC[C@H]2CCN(C(=O)C#CC3CC3)[C@@H]2C1 953303348 SFJNZRJRQPPDAV-QWHCGFSZSA-N 303.362 -0.275 30 20 DBED C[C@@]1(NC(=O)[C@H]2COCCO2)CCN(C(=O)C#CC2CC2)C1 956720262 ZCCIVDADXXJGFQ-CZUORRHYSA-N 306.362 -0.078 30 20 DBED CC#CCN1C[C@@H](O)[C@@H](CNC(=O)c2ccnc3ccnn23)C1 958135764 SGZCGHFAVIQAHX-GXTWGEPZSA-N 313.361 -0.225 30 20 DBED N#Cc1c[nH]c(C(=O)NC2[C@@H]3CN(CC(=O)N4CCC4)C[C@@H]23)c1 958499200 ARGPSYZZHIOBSQ-VXGBXAGGSA-N 313.361 -0.221 30 20 DBED COCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C#N)[nH]2)C1 958825917 BJXCYGMEMYUICK-RYUDHWBXSA-N 306.322 -0.824 30 20 DBED C#CCN1C[C@H]2[C@H](NC(=O)c3cn([C@H]4CCOC4)nn3)[C@H]2C1 962221341 IOIFNASQKNUQER-CIQGVGRVSA-N 301.350 -0.467 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]2[C@H]1CCCN2C(=O)c1nnn(C)n1 963466392 OCIFYODWOCVVRD-MXWKQRLJSA-N 317.353 -0.425 30 20 DBED Cc1ccc(CC(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)cn1 963542550 PRLKOUXPPNMBIC-GDLCADMTSA-N 316.361 -0.220 30 20 DBED C#CCCN1CCO[C@@]2(CCN(C(=O)c3c[nH]c(=O)cn3)C2)C1 972524683 VOFCREKAEHRKPK-INIZCTEOSA-N 316.361 -0.290 30 20 DBED C=CCn1cc(C(=O)N[C@H]2C[C@H](NC(=O)c3cc[nH]n3)C2)nn1 973045202 BYFCXNYDQAWSTR-MGCOHNPYSA-N 315.337 -0.122 30 20 DBED C=CCCN1C[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C(C)(C)C1 975106786 PRWNAVAGYCAXTC-QWRGUYRKSA-N 308.382 -0.013 30 20 DBED O=C1CC[C@H](C(=O)NC[C@@H]2CCN(C(=O)C#CC3CC3)C2)N1 982738927 CCWKMMRPYMOFHA-QWHCGFSZSA-N 303.362 -0.357 30 20 DBED CN(CC#N)C1CCN(C(=O)C2CC3(C2)NC(=O)NC3=O)CC1 985695739 BXXHJOWDSBRBRE-UHFFFAOYSA-N 319.365 -0.579 30 20 DBED C#CCN[C@@H]1CCN(C(=O)c2nc(C)n(-c3nc[nH]n3)n2)[C@H]1C 986632368 HELRRANYKNOCFZ-GXSJLCMTSA-N 314.353 -0.480 30 20 DBED CC(=O)N1CC(C(=O)N[C@H]2CCN(C(=O)[C@H](C)C#N)[C@@H]2C)C1 987737340 ZGKPIKYQKQENDB-BREBYQMCSA-N 306.366 -0.270 30 20 DBED Cn1cc(C(=O)N[C@H]2CCN(C(=O)C#CC3CC3)C[C@@H]2O)cn1 991257402 NQWPUGHNHFECBM-KBPBESRZSA-N 316.361 -0.475 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@H](NC(=O)c2ncn(C)n2)[C@H](O)C1 991449218 YVZSBTNMPPHAMG-WDEREUQCSA-N 321.381 -0.281 30 20 DBED C#CCCN1CCC[C@H](NC(=O)Cn2ccc(O)nc2=O)[C@@H]1C 993568956 NMICVCZWEURPLG-STQMWFEESA-N 318.377 -0.059 30 20 DBED C#CCNC1CCN(C(=O)[C@@H]2CC(=O)N(CCOC)C2)CC1 996658514 XBMLDGBFYWGMGN-CYBMUJFWSA-N 307.394 -0.305 30 20 DBED C#CCNC1CCN(C(=O)[C@@H]2CCc3nnc(O)n3C2)CC1 996746210 UNESRYRUVSMXPV-LLVKDONJSA-N 303.366 -0.240 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)Cc3cnc[nH]3)C2)cn1 997101600 IYWBHLSHCHSJKV-UHFFFAOYSA-N 309.329 -0.031 30 20 DBED N#CCN1CCC(NC(=O)C2CC3(C2)CS(=O)(=O)C3)CC1 1003164857 WKVUETQZRGZSDZ-UHFFFAOYSA-N 311.407 -0.085 30 20 DBED C#CCN1CCC[C@@H](NC(=O)CN2C(=O)CC(C)(C)C2=O)C1 1007334601 WYIISFYPEPBBRW-GFCCVEGCSA-N 305.378 -0.015 30 20 DBED C#Cc1ccc(C(=O)N2C[C@@H]3C(NC(=O)c4nc[nH]n4)[C@H]3C2)nc1 1013583874 OHIRSXAGJOYBHT-QWRGUYRKSA-N 322.328 -0.319 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CCN(C(=O)c3cnc(O)n3C)[C@@H]2C1 1022350095 MCBHIYKPQXBRHM-JBLDHEPKSA-N 317.349 -0.042 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CCN(C(=O)c3nnn(C)n3)[C@@H]2C1 1022410694 MGSNZMXUAFLDRK-LPEHRKFASA-N 303.326 -0.957 30 20 DBED CCc1nocc1C(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1O 1025511078 FSIGKAJSMWHKMP-XXILOJSOSA-N 306.322 -0.302 30 20 DBED Cc1c(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2O)ccn1C 1025515182 LYZSUBRNUKDBKP-OASPWFOLSA-N 304.350 -0.205 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)Cc3ncc[nH]3)C[C@H]2O)C1 1025541786 BZBBWGXJHIPFDH-VXGBXAGGSA-N 318.377 -0.004 30 20 DBED C#Cc1cncc(C(=O)N2C[C@@H]3CC[C@H](NCC(N)=O)[C@H]3C2)c1 1026354536 ALRHHMPTBIVIJX-QEJZJMRPSA-N 312.373 -0.012 30 20 DBED C#CCN(C)[C@@H]1CCCN(C(=O)[C@@H]2COCCN2C(C)=O)C1 1027688708 NZAFSTCKMMLKKP-CABCVRRESA-N 307.394 -0.210 30 20 DBED N#CCN1[C@H]2CC[C@H]1CN(C(=O)c1ccc(S(N)(=O)=O)o1)C2 1029378249 BLMJQGFHYPKEJS-UWVGGRQHSA-N 324.362 -0.261 30 20 DBED C=CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cn(C)c(=O)n(C)c1=O 1032660373 CYCHDYDHUWONKU-QWRGUYRKSA-N 304.350 -0.831 30 20 DBED C#CCN1CC[C@H](N(C)C(=O)[C@H]2CCc3nnnn3CC2)C1 1033436385 IIJIYMWCMUZGIA-STQMWFEESA-N 302.382 -0.209 30 20 DBED CC#CCN1CCO[C@@H](CNC(=O)c2cccn3nnnc23)C1 1035388742 ZSMXBBKEORGVCV-LBPRGKRZSA-N 314.349 -0.422 30 20 DBED COCCn1ccc(C(=O)NC[C@@H]2CN(CC#N)CCO2)n1 1035442874 RGMHQKUDSCTVSR-GFCCVEGCSA-N 307.354 -0.516 30 20 DBED C#CCCN1CCO[C@@H](CNC(=O)[C@H]2CCCN2C(C)=O)C1 1035617250 UWDNLKRRNXGDBT-LSDHHAIUSA-N 307.394 -0.162 30 20 DBED C=CCN1CCO[C@@H](CNC(=O)c2cc(C(N)=O)ccn2)C1 1035625363 QLEVRVOIHAIPEE-LBPRGKRZSA-N 304.350 -0.203 30 20 DBED C=C(C)CN[C@@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C[C@@H]1C 1036309952 HXHVSTVQANFSRB-NWDGAFQWSA-N 320.397 -0.220 30 20 DBED C=CCN1CC[C@@H]2CN(C(=O)CN3CCNC(=O)C3)CC[C@H]21 1036792190 LKQUOBLZUPBKBX-ZIAGYGMSSA-N 306.410 -0.473 30 20 DBED C#CCCN1C[C@H]2C[C@H]1[C@H]2NC(=O)C1CCN(C(N)=O)CC1 1037716169 VKWYUWCGEBQQNH-RDBSUJKOSA-N 304.394 -0.011 30 20 DBED CO[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1NC(=O)c1cn[nH]c1 1042757973 YIHQOFCSMZEDAC-VXGBXAGGSA-N 313.321 -0.295 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)C[C@](C)(O)C=C)C1 1042807469 UEIHXYNLGARFJF-CQSZACIVSA-N 312.366 -0.794 30 20 DBED C=C(C)CCC(=O)N1CC(O)(CNC(=O)c2cn(C)nn2)C1 1042886658 HQYJCPHLXAFNJU-UHFFFAOYSA-N 307.354 -0.526 30 20 DBED C=CCn1cc(C(=O)N2CC(O)(CNC(=O)C3(C)CC3)C2)nn1 1043383363 WOPWURRGLPOGPA-UHFFFAOYSA-N 319.365 -0.433 30 20 DBED CC#CCCCC(=O)NCC1(O)CN(C(=O)[C@@H](C)CC(N)=O)C1 1045007211 QEMPFFPILXPVGV-LBPRGKRZSA-N 323.393 -0.619 30 20 DBED C=C(C)CCC(=O)N1CC(O)(CNC(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1045010487 UARFPAPVUMZMSH-IMRBUKKESA-N 308.378 -0.075 30 20 DBED Cc1cc(CC(=O)N2CC(O)(CNC(=O)[C@H](C)C#N)C2)no1 1045540972 NWJYHBAXCOYYKD-SECBINFHSA-N 306.322 -0.625 30 20 DBED Cc1nn(C)c(C)c1C(=O)N1CC(O)(CNC(=O)[C@@H](C)C#N)C1 1045558937 CSBYZTSUCLWLBN-VIFPVBQESA-N 319.365 -0.500 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)CCN(C)CC)C1 1046536153 RQMRPLSVJOIWCR-UHFFFAOYSA-N 309.410 -0.179 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3[nH]nnc3c2)C1 1047409628 PVYLYBSOKVAQIZ-RYUDHWBXSA-N 300.322 -0.897 30 20 DBED C=CCCn1cc(C(=O)N(C)[C@H]2CN(CC#N)C[C@@H]2O)nn1 1047557365 SIFIUJPMUJFJJF-STQMWFEESA-N 304.354 -0.505 30 20 DBED CN(C(=O)C[C@H]1CCCCC(=O)N1)[C@H]1CN(CC#N)C[C@@H]1O 1047608477 VIDUBENWYNGRQW-AGIUHOORSA-N 308.382 -0.538 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCS2(=O)=O)C1 1047633751 KSUKHVGZRMWOBD-SRVKXCTJSA-N 302.396 -0.747 30 20 DBED N#CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1nnc(O)nc1O 1049573234 RGTVHACXBBIYKL-BDAKNGLRSA-N 304.310 -0.515 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]2CN(CC(N)=O)C[C@H]21 1050144828 ZFLQOKQZRIOYPH-DGAVXFQQSA-N 307.394 -0.014 30 20 DBED N#Cc1nc(=NC2CC(CNC(=O)[C@H]3COCCO3)C2)cc[nH]1 1051850514 VCXASECEAIMEHA-HTAVTVPLSA-N 317.349 -0.508 30 20 DBED C=CCOCC(=O)N1C[C@@H](C)[C@@H](CNC(=O)CNC(C)=O)C1 1052213514 FUHXUQWWQLGALE-YPMHNXCESA-N 311.382 -0.464 30 20 DBED C#CCCN1CCC[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 1052755582 WNWJVYAJZVUGIW-NEPJUHHUSA-N 306.366 -0.422 30 20 DBED C=C(C)CN1CC2(C1)CN(C(=O)[C@@H]1CC[C@H]1C(N)=O)CCO2 1053373051 LNNMAIJKBBONLM-CHWSQXEVSA-N 307.394 -0.013 30 20 DBED C#CCN1CC2(CC[C@@H](CNC(=O)c3cn(C)c(O)n3)O2)C1 1053656239 USPFRMSQNSJXHF-NSHDSACASA-N 304.350 -0.278 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)c3cn4c(n3)COCC4)CO2)C1 1053848028 QDSNRJJIIUXQBH-NSHDSACASA-N 317.349 -0.490 30 20 DBED N#CCN1CC[C@]2(CCCN(C(=O)c3nnc(O)nc3O)C2)C1 1054160112 VZCGHFWJKMWZOC-CQSZACIVSA-N 318.337 -0.266 30 20 DBED C=CCCC(=O)NC1CCN(CCNC(=O)CC(=O)NC)CC1 1055565351 ZONOSTQQYWRONV-UHFFFAOYSA-N 324.425 -0.215 30 20 DBED N#Cc1cnc(N2C[C@H]3C(NC(=O)[C@H]4CCC(=O)N4)[C@@H]3C2)cn1 1056148256 YYVYRRHHGLIZOF-GMTAPVOTSA-N 312.333 -0.822 30 20 DBED Cc1c(C(=O)NC2[C@@H]3CN(c4nccnc4C#N)C[C@@H]23)nnn1C 1056176868 XDCWKQHRJRQWDQ-NXEZZACHSA-N 324.348 -0.350 30 20 DBED N#CCSCC(=O)N(CCO)CCNC(=O)[C@@H]1CCCO1 1057026828 NCDFJFDJYFDDAF-NSHDSACASA-N 315.395 -0.641 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)CCc1nc[nH]n1 1057171275 VWWFHGGODMQRGP-UHFFFAOYSA-N 309.370 -0.359 30 20 DBED CCOCCC(=O)NCCN(CCO)C(=O)c1cc(C#N)c[nH]1 1057291571 JPIQNSZUESFANS-UHFFFAOYSA-N 322.365 -0.136 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)[C@@H]1CCCOCC1 1057459382 IMWFEQLGVTZCBA-QWHCGFSZSA-N 311.382 -0.100 30 20 DBED Cc1c(C(=O)NCCN(CCO)C(=O)C#CC2CC2)cnn1C 1057531772 YVUPLOSZYCKFGV-UHFFFAOYSA-N 318.377 -0.307 30 20 DBED C#CCOCCC(=O)N(CCO)CCNC(=O)[C@@H]1CC12CC2 1057581924 YXZWXAXZRWUBAY-ZDUSSCGKSA-N 308.378 -0.237 30 20 DBED Cn1ncc(C(=O)NC2CCN(c3cncc(C#N)n3)CC2)n1 1057884294 XYNQMGASISJYIY-UHFFFAOYSA-N 312.337 -0.124 30 20 DBED N#Cc1cnc(N2CC[C@H](NC(=O)[C@@H]3CCC(=O)N3)C2)cn1 1058408958 XAKBUZJZUISALV-ONGXEEELSA-N 300.322 -0.678 30 20 DBED CN1C[C@H](C(=O)N[C@@H]2CCN(c3ccnc(C#N)n3)C2)NC1=O 1058504218 JUNLCUKYYJENIW-NXEZZACHSA-N 315.337 -0.933 30 20 DBED CCc1n[nH]cc1C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N 1058663423 SEEZFMCQIRQOKZ-JTQLQIEISA-N 307.354 -0.318 30 20 DBED N#CCSCC(=O)N1CCOC[C@H]1CNC(=O)c1cnn[nH]1 1061696357 UHQCKCYRBVEGLJ-SECBINFHSA-N 324.366 -0.981 30 20 DBED C=CC(C)(C)C(=O)NC[C@@H]1COCCN1C(=O)c1nc[nH]n1 1061752622 ITWOWSXUHOUBFZ-SNVBAGLBSA-N 307.354 -0.026 30 20 DBED Cc1nc[nH]c1CC(=O)N1CCOC[C@@H]1CNC(=O)[C@H](C)C#N 1061847992 OITUPJSGHWINHF-PWSUYJOCSA-N 319.365 -0.236 30 20 DBED C#CCO[C@H](C)C(=O)NC1(CNC(=O)[C@@H]2COC(=O)N2)CCC1 1062904403 ZYSJNLJSHWTIMV-MNOVXSKESA-N 323.349 -0.712 30 20 DBED C#CCNC(=O)CC(=O)N1CCO[C@H](CNC(=O)[C@@H](C)CC)C1 1065064175 USQCWYRKHSNPPG-QWHCGFSZSA-N 323.393 -0.484 30 20 DBED Cc1cc(CC(=O)NC[C@@H]2CN(C(=O)[C@H](C)C#N)CCO2)n[nH]1 1065557848 WAXIYZUPCGOLTE-ZWNOBZJWSA-N 319.365 -0.236 30 20 DBED Cc1nsc(NC[C@@H]2CN(C(=O)CC(N)=O)CCO2)c1C#N 1066607449 PDNRMDAGZOIBMA-SECBINFHSA-N 323.378 -0.162 30 20 DBED N#Cc1cccnc1N1C[C@H](CNC(=O)c2ncccn2)[C@@H](O)C1 1067678998 XUOWGULXZPSKKS-STQMWFEESA-N 324.344 -0.030 30 20 DBED C[C@H](C#N)C(=O)N(C)CCCN(C)C(=O)CN1CCCNC1=O 1067761267 GZHUQUTYISMMQW-GFCCVEGCSA-N 323.397 -0.132 30 20 DBED Cn1cnc(C(=O)N2C[C@H]3CC[C@H]2CN3c2cnc(C#N)cn2)n1 1068042194 YMGCEYCMLXVHLG-NEPJUHHUSA-N 324.348 -0.030 30 20 DBED CNC(=O)CC(=O)N1CC2(CC[C@@H](CNC(=O)[C@@H](C)C#N)O2)C1 1068619998 FTACQTQJEJBLLT-QWRGUYRKSA-N 322.365 -0.842 30 20 DBED C=C(C)CCC(=O)N1CC2(C[C@H](NC(=O)CC(N)=O)CO2)C1 1068783669 IETRNRJZXRDJIT-NSHDSACASA-N 309.366 -0.296 30 20 DBED C=CC(C)(C)C(=O)N[C@H]1COC2(C1)CN(C(=O)CC(=O)NC)C2 1068943854 SLSKCTXTHCBPTH-LLVKDONJSA-N 323.393 -0.179 30 20 DBED Cc1ncc(C(=O)N2C[C@H](n3ccnn3)[C@H](NCC#N)C2)[nH]1 1070159995 YXENEHDNXLOVAI-NEPJUHHUSA-N 300.326 -0.512 30 20 DBED C#CCN1CC[C@@H](c2n[nH]cc2CNC(=O)c2cnn(C)n2)C1 1070431475 WNTAGZVDIUGAKC-LLVKDONJSA-N 313.365 -0.109 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 1070971703 NLFMBRJOTCCLTK-INIZCTEOSA-N 322.453 -0.144 30 20 DBED C=CCOCC(=O)N1C[C@H](C)[C@H](NC(=O)Cn2cncn2)C1 1071812268 ROBMRUQEQMPKQX-NWDGAFQWSA-N 307.354 -0.556 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](NC(=O)Cn2cncn2)[C@H](C)C1 1072049073 QJLSFYCOZPFRPH-CHWSQXEVSA-N 303.366 -0.099 30 20 DBED C#CCN1C[C@H](NC(=O)CN2C(=O)CN(C)C2=O)CC[C@H]1C 1072054582 GKNZVXCHNKXVEB-VXGBXAGGSA-N 306.366 -0.517 30 20 DBED N#Cc1ccc(C(=O)N2CC3(CCN([C@H]4CCNC4=O)C3)C2)[nH]1 1072635879 YNVFLDOONFUQEX-ZDUSSCGKSA-N 313.361 -0.077 30 20 DBED N#Cc1cc(C(=O)N2CC3(CCN([C@@H]4CCNC4=O)C3)C2)c[nH]1 1072639744 CWVDVXVJFDGOSN-CYBMUJFWSA-N 313.361 -0.077 30 20 DBED C[C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1NC(=O)CSCC#N 1072773293 QLVQAIBADLVQPZ-GHMZBOCLSA-N 322.394 -0.502 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)c3cc(=O)n(C)o3)C[C@H]21 1074226559 SEEYSSWXNXFFDG-NEPJUHHUSA-N 305.334 -0.473 30 20 DBED C=CCCC(=O)N1CCC(O)(CNC(=O)c2cnn[nH]2)CC1 1074512443 UZQBQVXCGULTII-UHFFFAOYSA-N 307.354 -0.146 30 20 DBED CC(C)C#CC(=O)N1CC[C@@H](NC(=O)c2nnn(C)n2)C[C@@H]1C 1075109710 KMGJMMYGRNXNOC-NWDGAFQWSA-N 318.381 -0.021 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CN(C[C@H]3CCOC3)C[C@H]2O)c[nH]1 1076906385 YDDHFVIDISUEGH-LERXQTSPSA-N 304.350 -0.302 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2cc(OC)nc(OC)c2)C1 1077304816 ZVLVCHBXBIWYQL-VXGBXAGGSA-N 305.334 -0.493 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)C2CCS(=O)(=O)CC2)C1 1077765263 FSLBESNJNBXYPB-CHWSQXEVSA-N 316.423 -0.451 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2nc3ccccn3c2F)C1 1077946446 FLIBAVOGUCBBRM-GHMZBOCLSA-N 302.309 -0.119 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)Cn2nc(C)ccc2=O)C1 1078045919 LAPQDAVUHVZZER-ZIAGYGMSSA-N 320.393 -0.321 30 20 DBED C[C@@H](CCNC(=O)[C@@H]1CNC(=O)N1)NC(=O)c1cc(C#N)c[nH]1 1078091140 NTJDDFCBWODOKN-KWQFWETISA-N 318.337 -0.808 30 20 DBED C[C@@H](CCNC(=O)[C@@H](C)C#N)NC(=O)c1nccnc1C(N)=O 1078139232 KIXMSYIYKOITNB-IUCAKERBSA-N 318.337 -0.640 30 20 DBED C[C@H](C#N)C(=O)N1CCCO[C@@H](CNCc2ncnn2C)C1 1078357687 ACVITFSSXQXBMW-NEPJUHHUSA-N 306.370 -0.318 30 20 DBED C=CCOCC(=O)N(CC)CC1CCN(C(=O)C(N)=O)CC1 1081116176 CJTLUJOZWFFWFJ-UHFFFAOYSA-N 311.382 -0.239 30 20 DBED N#CCSCC(=O)NC[C@H]1CN(C(=O)c2cnco2)C[C@H]1O 1081288449 DBPZJQGXIDCZLJ-VHSXEESVSA-N 324.362 -0.520 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1O 1081336127 UDIVBZTZLLYBPZ-CMPLNLGQSA-N 307.354 -0.670 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(C(=O)c2ccnnc2)C[C@@H]1O 1081475314 ZOIYJFSHAMXSDS-KGLIPLIRSA-N 314.345 -0.561 30 20 DBED C=CCCCC(=O)N1C[C@H](CNC(=O)c2nc[nH]n2)[C@@H](O)C1 1081653229 LLEOFRUXPGABDM-QWRGUYRKSA-N 307.354 -0.290 30 20 DBED C=CCN1C[C@@H](NC(=O)C[C@H]2CCCS2(=O)=O)[C@H](OC)C1 1081985191 HSUHSYIEUGECEJ-JHJVBQTASA-N 316.423 -0.045 30 20 DBED C#CCN1C[C@@H](NC(=O)C[C@@H]2CCCCC(=O)N2)[C@H](OC)C1 1082344721 BIJBZRSBMPJVNN-BFHYXJOUSA-N 307.394 -0.116 30 20 DBED C#CCCN1C[C@@H](NC(=O)C2CCN(C(N)=O)CC2)[C@H](OC)C1 1082363203 SHSASBQJLKYFIV-ZIAGYGMSSA-N 322.409 -0.384 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CCn1cncn1 1083003705 QHPTZTKRWKVUNW-UONOGXRCSA-N 303.366 -0.397 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CCc2nccn2C1 1083125374 PTVJCUBFSICCRB-HZSPNIEDSA-N 315.377 -0.119 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1ccc(C(N)=O)[nH]1 1083196427 RYCIFAHHAJTBNW-UONOGXRCSA-N 316.361 -0.338 30 20 DBED Cc1nn([C@H]2CCOC2)cc1C(=O)N[C@@H]1CN(CC#N)C[C@@H]1O 1083460906 DWLGZELMOXJQNN-YUTCNCBUSA-N 319.365 -0.549 30 20 DBED C#Cc1ccccc1CC(=O)N[C@@H]1CN(C[C@H](C)O)C[C@@H]1O 1083999554 WUORFORRYVHWMK-MAZHCROVSA-N 302.374 -0.248 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)c2ccc(N(C)C)cn2)C1 1084102093 OVNMSRDINOKPDH-CABCVRRESA-N 302.378 -0.054 30 20 DBED CN(C)C(=O)CN1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)[C@H](O)C1 1090199310 HFKBXLNHENIDQT-WCQYABFASA-N 319.365 -0.860 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2cn(CCOC)nn2)[C@H](O)C1 1090259651 VYQMEJSWXQDXIV-GXTWGEPZSA-N 321.381 -0.887 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)C2CS(=O)(=O)C2)[C@H](O)C1 1090292686 PEOSFIHBESGUBC-NWDGAFQWSA-N 302.396 -0.842 30 20 DBED N#Cc1nccc(N2C[C@@H](O)[C@H](NC(=O)COCC3CC3)C2)n1 1090394782 GQQUEJIGJUJKSS-VXGBXAGGSA-N 317.349 -0.559 30 20 DBED COC[C@H](C)CC(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1O 1090475528 IGBJDEGCWTZSRA-RAIGVLPGSA-N 319.365 -0.313 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2noc3c2COCC3)[C@H](O)C1 1090822090 AJAUJKPYVQBPGH-CHWSQXEVSA-N 319.361 -0.064 30 20 DBED Cn1nnc2cccc(C(=O)N[C@H]3CCN(CC#N)C[C@@H]3O)c21 1090857754 LSBZYHSBURYLKP-AAEUAGOBSA-N 314.349 -0.343 30 20 DBED C#CCCN1C[C@@H](C)[C@H](CNC(=O)[C@H]2COCCN2C(C)=O)C1 1093210141 KEPMGZCFFFPGLW-FVQBIDKESA-N 321.421 -0.059 30 20 DBED COC(=O)c1nccc(N2C[C@H]3C(NC(=O)[C@@H](C)C#N)[C@@H]3C2)n1 1093236802 LALFQDBOUIOSOD-IVZWLZJFSA-N 315.333 -0.026 30 20 DBED C#CCOCCC(=O)NC1[C@H]2CN(c3cncc(C#N)n3)C[C@H]12 1093312202 VRDUGHWSUIIRFX-STQMWFEESA-N 311.345 -0.061 30 20 DBED Cn1nnc2cccc(C(=O)NCCN=c3cc[nH]c(C#N)n3)c21 1093720298 KPFHKXZMWVQSPU-UHFFFAOYSA-N 322.332 -0.106 30 20 DBED CN(c1cnc(C#N)cn1)[C@@H]1CCN(C(=O)CNC(N)=O)C1 1095091716 SZBISVPNITVUNW-SNVBAGLBSA-N 303.326 -0.946 30 20 DBED N#Cc1nccnc1N[C@@H]1CCCN(C(=O)CNC(N)=O)C1 1095274125 AQSUGAKZDKPMRY-SECBINFHSA-N 303.326 -0.581 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CCCN(c2ncc(F)cn2)C1 1096162276 GSMVZPBPPMJYND-LBPRGKRZSA-N 319.340 -0.160 30 20 DBED C#CCCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cn(CC(N)=O)nn1 1096608742 BMMLVWRIJSNZCA-MDZLAQPJSA-N 316.365 -0.878 30 20 DBED C[C@@H](CNC(=O)C(=O)NCC1CC1)N=c1cc[nH]c(C#N)n1 1098012595 LQHWBEHCOONCNE-VIFPVBQESA-N 302.338 -0.787 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCC(N(CCO)CCO)CC1 1098353880 DJXSXQCFDXUMIV-HNNXBMFYSA-N 300.399 -0.409 30 20 DBED C[C@H](CNC(=O)c1cc(=O)n(C)cn1)N=c1cc[nH]cc1C#N 1098363140 OQAKHSPGCGUTHO-SNVBAGLBSA-N 312.333 -0.301 30 20 DBED COC(=O)NCC(=O)N[C@@H]1CN(CC#N)CC2(CCOCC2)C1 1099566180 NMKLZSVEQVDWAV-LBPRGKRZSA-N 324.381 -0.147 30 20 DBED C#CCN1CC[C@H](NC(=O)COCc2cc(C)on2)[C@@H](O)C1 1099889708 FFDZLJQEIJVBTG-KBPBESRZSA-N 307.350 -0.316 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)c2cc(F)c[nH]2)[C@@H](O)C1 1099921020 IUNXILWFRUIOFA-YPMHNXCESA-N 324.356 -0.379 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)C(C)(C)CC)[C@H](O)C1 1099980119 BZVVOWGOZMIQSX-QWHCGFSZSA-N 309.410 -0.277 30 20 DBED CC(F)(F)CC(=O)N[C@H]1CCN(CC(=O)NCC#N)C[C@H]1O 1099991314 IPFGJOHDTCURHE-VHSXEESVSA-N 318.324 -0.777 30 20 DBED CC(=O)NC1(C(=O)N[C@H]2CCN(CC#N)C[C@H]2O)CCCC1 1100032086 OUMHBJRSDIXOGZ-QWHCGFSZSA-N 308.382 -0.490 30 20 DBED C=CCN1CC[C@H](NC(=O)CCn2cnccc2=O)[C@@H](O)C1 1100055703 HLLYODOMMSJIFV-STQMWFEESA-N 306.366 -0.629 30 20 DBED CCc1noc(COCC(=O)N[C@H]2CCN(CC#N)C[C@@H]2O)n1 1100072054 OJTABUOZGUFXLJ-QWRGUYRKSA-N 323.353 -0.776 30 20 DBED C#CCN1CC[C@@H](NC(=O)CCCc2nc(C)no2)[C@H](O)C1 1100112991 YAJHNFMOGLWFRJ-CHWSQXEVSA-N 306.366 -0.115 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)CS(=O)(=O)CCC)[C@H](O)C1 1100113834 FTNTYNRYNZAPBB-CHWSQXEVSA-N 318.439 -0.061 30 20 DBED CCN(CCNC(=O)C1CS(=O)(=O)C1)c1ncccc1C#N 1100623759 DLUBOTWNVRQUHO-UHFFFAOYSA-N 322.390 -0.060 30 20 DBED CCN(CCNC(=O)[C@@H]1CCNC1=O)c1cncc(C#N)n1 1100695973 FOGYYEJWOOKIKZ-LLVKDONJSA-N 302.338 -0.573 30 20 DBED CCN(CCNC(=O)C1(C(N)=O)CC1)c1cncc(C#N)n1 1100698726 JPQIVXRAIZYFND-UHFFFAOYSA-N 302.338 -0.444 30 20 DBED CC(=O)N[C@@H](C)C(=O)NC[C@H]1CCCN1c1ccnc(C#N)n1 1100776415 HMCUUAHXCRXNSZ-CMPLNLGQSA-N 316.365 -0.042 30 20 DBED N#Cc1nccnc1N1CCC[C@H]1CNC(=O)Cc1nc[nH]n1 1100861242 WXXAQVIPTDWOJG-JTQLQIEISA-N 312.337 -0.206 30 20 DBED N#Cc1nccc(N2CCCC[C@H](NC(=O)CNC(N)=O)C2)n1 1102841021 ZBOUEUQUQUYESR-JTQLQIEISA-N 317.353 -0.508 30 20 DBED CC[C@H](CNC(=O)[C@H]1COCCN1C)Nc1ccc(C#N)nn1 1103036180 HMLAYTBFGVSYBW-DGCLKSJQSA-N 318.381 -0.014 30 20 DBED CC[C@@H](CNC(=O)[C@H](C)NC(N)=O)N=c1cc[nH]c(C#N)n1 1103045708 DIZQLDWAESINLY-IUCAKERBSA-N 305.342 -0.866 30 20 DBED C#CCN1C[C@@H](C)[C@H](CCNC(=O)c2cn(CC(N)=O)nn2)C1 1103754719 SSGXNBWQZCQBJL-VXGBXAGGSA-N 318.381 -0.916 30 20 DBED Cc1cc(C#N)nc(NC[C@H](C)CNC(=O)[C@H]2C[C@H]2C(N)=O)n1 1104208563 CEQBTWHYDONFOH-FXAINCCUSA-N 316.365 -0.058 30 20 DBED C#CCNC(=O)CNCC[C@@H]1CN(C(=O)c2cnn[nH]2)C[C@H]1C 1104379768 KZMKTIXAWFNQJF-VXGBXAGGSA-N 318.381 -0.758 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)[C@@H](C)CNc1ccc2nnnn2n1 1104683976 PTUVNORVHSWKIH-QWRGUYRKSA-N 317.353 -0.184 30 20 DBED N#CCSCC(=O)N1CC(n2cc(CNCCO)nn2)C1 1105169150 BBWQLMYWMHVUBV-UHFFFAOYSA-N 310.383 -1.000 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H]1CCC[C@H]1NC(=O)CNC(N)=O 1105653899 BXJQABMEPSYTKA-GXFFZTMASA-N 316.365 -0.260 30 20 DBED C[C@@H](C(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1)n1cccn1 1105767967 VJCYSDWEXDYFRT-QWRGUYRKSA-N 315.337 -0.883 30 20 DBED Cc1cccnc1C(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1 1105784390 HKTLFLZOLVQRDX-LLVKDONJSA-N 312.333 -0.324 30 20 DBED N#Cc1nccnc1NC[C@H](O)CNC(=O)CO[C@@H]1CCOC1 1105972378 IKKIQAGEFXTMRW-GHMZBOCLSA-N 321.337 -0.957 30 20 DBED N#Cc1cncc(NC[C@@H](O)CNC(=O)c2cncnc2O)n1 1106007634 UFPHEKOIMBMYRN-SECBINFHSA-N 315.293 -0.953 30 20 DBED N#Cc1cccnc1NC[C@H](O)CNC(=O)[C@@H]1[C@H]2COC[C@H]21 1106062091 BYIYAWSKHCYESL-WUHRBBMRSA-N 302.334 -0.265 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H](O)CNC(=O)[C@@]1(F)CCOC1 1106073365 SVLUHVWUXWNZGL-SMDDNHRTSA-N 308.313 -0.607 30 20 DBED C[C@H](CCNc1ccc(C#N)nn1)NC(=O)[C@H]1CCNC1=O 1106516708 WPTQWHFYUGZQAA-KOLCDFICSA-N 302.338 -0.209 30 20 DBED CNC(=O)[C@@H](C)N1CC(n2cc(CNC(=O)[C@H](C)C#N)nn2)C1 1107149765 PZFHKBRBRQCJLO-NXEZZACHSA-N 319.369 -0.955 30 20 DBED COCC#CCN1CC[C@@]2(CNC(=O)CNC(N)=O)CCC[C@@H]12 1107277180 NMBWLWFEBBXLTB-CZUORRHYSA-N 322.409 -0.335 30 20 DBED N#Cc1nccnc1NC/C=C\CNC(=O)C(=O)NCC(F)F 1107402870 PKBJRWLHUNHDIV-UPHRSURJSA-N 324.291 -0.186 30 20 DBED CN1CC[C@H](C(=O)NC/C=C\CNc2ccc(C#N)nn2)C1=O 1107459933 KMAZXHYDIVMZBC-ZZKXABKFSA-N 314.349 -0.089 30 20 DBED C[C@@]1(CNC(=O)C#CC2CC2)CN(CC(=O)NC2CC2)CCO1 1107933172 ZYEBTAARRCNZEO-QGZVFWFLSA-N 319.405 -0.115 30 20 DBED CC#CCN1CCO[C@](C)(CNC(=O)[C@H]2CCC(=O)NC2)C1 1108043163 FFWKBPKTIOGMJG-XJKSGUPXSA-N 307.394 -0.257 30 20 DBED COCC(C)(C)C(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1 1108556935 MLEWKMCTPFZXBC-NSHDSACASA-N 308.382 -0.416 30 20 DBED CC(C)(O)CC(=O)N1C[C@H]2C[C@@H](NCC(=O)NCC#N)C[C@H]1C2 1108671183 LKBVMOYYXPJACM-YNEHKIRRSA-N 322.409 -0.244 30 20 DBED C[C@@H](CN(C)c1cncc(C#N)n1)NC(=O)CCNC(N)=O 1108961223 ANQHAGROQXTRPY-VIFPVBQESA-N 305.342 -0.652 30 20 DBED C[C@@H](CN(C)c1nccnc1C#N)NC(=O)[C@@H]1CCCNC1=O 1109128331 OMAUKPLRRPQDOT-WDEREUQCSA-N 316.365 -0.185 30 20 DBED CN1CC[C@H](C(=O)N(C)CCCN=c2cc[nH]c(C#N)n2)C1 1109457614 AWYZZPCDXIYWPX-LBPRGKRZSA-N 302.382 -0.018 30 20 DBED CN(C(=O)C#CC1CC1)[C@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1111183602 MDZYSRVIMLXFMF-KBPBESRZSA-N 311.345 -0.230 30 20 DBED N#Cc1cnc(NC2(CNC(=O)Cn3ncnn3)CCC2)cn1 1111851316 TYNSQKXBNDYNLG-UHFFFAOYSA-N 313.325 -0.514 30 20 DBED COCC(=O)NC[C@@H]1CN(c2ccc(C#N)c(C)n2)C[C@@H]1O 1112691471 FTYYRDRKOOSLGZ-OLZOCXBDSA-N 304.350 -0.179 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1112701848 LDODLROZWUZLHZ-YPMHNXCESA-N 317.349 -0.536 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)[C@@H](C)n2cncn2)CC1 1112770621 SKTQIFBIBHEHRF-CHWSQXEVSA-N 318.381 -0.879 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)[C@H]2CCCNC2=O)CC1 1112987297 CDQMREURXOIQHP-STQMWFEESA-N 322.409 -0.653 30 20 DBED C[C@H](CNC(=O)[C@H]1CCN(C)C1=O)N(C)c1nccnc1C#N 1113826723 LDPKUEQGBSWIKC-GHMZBOCLSA-N 316.365 -0.233 30 20 DBED C[C@H](C#N)C(=O)NC1[C@@H]2CN(CC(=O)Nc3ccon3)C[C@@H]12 1114070453 ZIOBDFZCGYYONH-OPRDCNLKSA-N 303.322 -0.181 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)C3(CCOC)CC3)[C@@H]2C1 1114387525 RNEQBBPOVCQERR-CHWSQXEVSA-N 319.405 -0.401 30 20 DBED N#Cc1cnc(N2C[C@@H]3C(CNC(=O)Cn4cncn4)[C@H]3C2)cn1 1114552143 MJJJBQCUYGZLDD-CHWSQXEVSA-N 324.348 -0.562 30 20 DBED CCOCC(=O)N1CCO[C@H]([C@@H](C)N=c2cc[nH]c(C#N)n2)C1 1114628141 JOQZPDPFYYOGAD-NEPJUHHUSA-N 319.365 -0.166 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3conc3CC)[C@H]2C1 1114787919 ZHXPYQXHOFLAJF-HBYGRHMLSA-N 316.361 -0.354 30 20 DBED COCC#CCN1C[C@@H]2C(NC(=O)C(C)(C)CNC(C)=O)[C@H]2C1 1114959744 JLCKMOPOJRQLPO-KBPBESRZSA-N 321.421 -0.155 30 20 DBED C#CCNC(=O)C1CCN(C(=O)C(=O)NCC2CCC2)CC1 1117050607 FTXJKGPGWWRIHX-UHFFFAOYSA-N 305.378 -0.109 30 20 DBED C#CCNC(=O)C1CCN(C(=O)C(=O)N[C@@H]2COC[C@H]2C)CC1 1119838966 XZDLXKLURKRROD-DGCLKSJQSA-N 321.377 -0.875 30 20 DBED C[C@H](CN(C)C(=O)[C@@H]1CCNC1=O)N=c1cc[nH]c(C#N)n1 1120407111 GVRWMCUJMBMBGT-NXEZZACHSA-N 302.338 -0.835 30 20 DBED N#Cc1nccnc1N[C@@H](CO)CNC(=O)CCn1cccn1 1121074606 ZOELWNLJXHHQFR-LLVKDONJSA-N 315.337 -0.476 30 20 DBED CCCC(=O)NCC(=O)NC[C@H](CO)Nc1ccc(C#N)nc1 1121160613 ZXDXKMKIRAXNRH-CYBMUJFWSA-N 319.365 -0.241 30 20 DBED N#Cc1cccnc1N[C@H](CO)CNC(=O)C[C@@H]1COC(=O)C1 1121304490 YKCPSGIENRBBSG-JQWIXIFHSA-N 318.333 -0.205 30 20 DBED Cn1ncc2c(N[C@@H](CO)CNC(=O)C#CC3CC3)ncnc21 1121439731 RQNLSTXUAAAOJT-LLVKDONJSA-N 314.349 -0.334 30 20 DBED CC(=O)NC(C)(C)C(=O)NC[C@H](CO)Nc1cnc(C#N)cn1 1121777938 NUKWFQVVGAXANL-LLVKDONJSA-N 320.353 -0.848 30 20 DBED Cc1nc(O)[nH]c1C(=O)NC[C@@H](CO)Nc1cnc(C#N)cn1 1122158180 JJYUACSWJDJSAJ-VIFPVBQESA-N 317.309 -0.712 30 20 DBED N#CCSCC(=O)NCCNC[C@@H]1CCS(=O)(=O)C1 1123792025 FBIKORKENTUIBI-JTQLQIEISA-N 305.425 -0.616 30 20 DBED CN(C[C@@H](O)CNc1cnc(C#N)cn1)C(=O)[C@@H]1CCOC1 1124139789 CENNKAMHBCZWJO-PWSUYJOCSA-N 305.338 -0.384 30 20 DBED C=CCOCC(=O)N(C)C[C@@H](O)CN=c1cc[nH]cc1C#N 1124195746 ACKJOZJAKPBQFY-ZDUSSCGKSA-N 304.350 -0.191 30 20 DBED C[C@@H](CC(N)=O)C(=O)N(C)C[C@H](O)CNc1ccc(C#N)cn1 1124694025 MAMHXUYRIYDBJH-CMPLNLGQSA-N 319.365 -0.304 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)c1ccn(C)c1 1125659169 MDALSVYQYXNEHM-UHFFFAOYSA-N 307.354 -0.644 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCNCC1(CS(C)(=O)=O)CC1 1126366100 QXNVVQHKRDICQX-CYBMUJFWSA-N 318.439 -0.156 30 20 DBED C[C@H](C#N)C(=O)NCC1=CCN(c2nccn3nnnc23)CC1 1127586830 BZFAKCFYBLQQKR-SNVBAGLBSA-N 312.337 -0.068 30 20 DBED CC#CCNCc1cccc(N2CC[C@H](NC(=O)C(N)=O)C2)n1 1128119198 TWHMWHRSBZNFNY-ZDUSSCGKSA-N 315.377 -0.625 30 20 DBED CC[C@@H](NC(C)=O)C(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1 1129279779 KLODULYQCSRWOF-UPJWGTAASA-N 319.369 -0.942 30 20 DBED C=CCN[C@@H]1CN(C(=O)CCOCCOC)C[C@@H]1n1ccnn1 1130148416 PIVTVPGLPTVQLG-KGLIPLIRSA-N 323.397 -0.141 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)Cc1cnccc1OC 1130178053 JICBPPPXXLJANU-LBPRGKRZSA-N 318.377 -0.524 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1cnc2[nH]c(O)nc2c1 1130607581 IVVQPPHSRQKVPV-UHFFFAOYSA-N 318.337 -0.715 30 20 DBED CC#CCN1C[C@H]2C[C@@H]3CN(C(=O)[C@H](C)NC(N)=O)C[C@@]3(C1)O2 1131217299 LRBLHZVSZQHMPH-VPWBDBDCSA-N 320.393 -0.632 30 20 DBED C#CCNC(=O)CN1C[C@H](NC(=O)c2cnns2)CC[C@@H]1C 1131835559 YREBDHHLTRLWIC-WDEREUQCSA-N 321.406 -0.130 30 20 DBED COCC#CCN1C[C@H](NC(=O)CN2CCOCC2)CC[C@H]1C 1131968779 RSBQDFLJGBZGRL-HZPDHXFCSA-N 323.437 -0.063 30 20 DBED C#CCNC[C@@H]1CN(C(=O)CN2CCNC(=O)C2)CC[C@H]1C 1133031690 RPUOOCZKAFQBTA-ZIAGYGMSSA-N 306.410 -0.874 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1cnnc2ccccc12 1134348512 STHRPVITKYGNTI-UHFFFAOYSA-N 312.333 -0.411 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)c1cncnc1)C2 1147374718 QVDCBYLPXGCUAN-UHFFFAOYSA-N 313.361 -0.626 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC2(CCN([C@H](C)C(=O)NC)C2)C1 1147422533 PWKRCRIQTJGFLO-DOMZBBRYSA-N 309.410 -0.018 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)CCCC(=O)N(C)C 1148217133 NLTHULPMOLCSQK-GFCCVEGCSA-N 312.414 -0.359 30 20 DBED C[C@@H]1CCO[C@@H]1C(=O)N1CC2(CCN(CC(=O)NCC#N)C2)C1 1148305276 VHJONTJHGHXCRG-OCCSQVGLSA-N 320.393 -0.415 30 20 DBED CC#CCN1CCCO[C@H](CNC(=O)CN2CCOCC2=O)C1 1149842774 ZLGWSVFECDDANE-CQSZACIVSA-N 323.393 -0.924 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)[C@H](C)S(C)(=O)=O)C1 1149904682 UVCLIBIYTYJWKP-NWDGAFQWSA-N 302.396 -0.740 30 20 DBED N#CCN1CCCO[C@@H](CNC(=O)CCCCNC(N)=O)C1 1149947304 VTJCXASXABOZOG-LBPRGKRZSA-N 311.386 -0.444 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)[C@H](OC)c2cnn(C)c2)C1 1150036678 QMHPOLLFYSPOFX-LSDHHAIUSA-N 320.393 -0.052 30 20 DBED C=CCN1CCCO[C@H](CNC(=O)CCCS(N)(=O)=O)C1 1150203500 QXNBJLWKQLJCTL-GFCCVEGCSA-N 319.427 -0.552 30 20 DBED C=CCNC(=O)CNCCNC(=O)Cc1c(C)nc(C)nc1O 1150978699 YSVIQLXVOYTXEH-UHFFFAOYSA-N 321.381 -0.650 30 20 DBED C#CCN1CCC(C(=O)NCCNCC(=O)NC(C)C)CC1 1152334704 PFKNFZYYIXSQLS-UHFFFAOYSA-N 308.426 -0.438 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)c1coc(OC)n1 1154488964 QPQPLPYZHCVBRH-LLVKDONJSA-N 322.365 -0.127 30 20 DBED C=CCNC(=O)CNCCCNC(=O)c1cccc(C(N)=O)n1 1177165049 KWGGLPOUEWQYKK-UHFFFAOYSA-N 319.365 -0.808 30 20 DBED Cc1nnsc1C(=O)N1CC[C@H](NCC(=O)NCC#N)[C@@H]1C 1178098943 GKRZEQNOEOTMEG-UWVGGRQHSA-N 322.394 -0.321 30 20 DBED C=C(C)CCN[C@H]1CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)[C@H]1C 1179667311 YWOBKZDACYXHIA-UBHSHLNASA-N 324.425 -0.088 30 20 DBED C#CCNC[C@]1(C)CN(C(=O)[C@H]2CN(C(C)=O)CCO2)C[C@H]1C 1183297530 IKEVOVXIRYTCEO-FRFSOERESA-N 321.421 -0.059 30 20 DBED C#CCNC[C@H]1CCN(C(=O)CN2CCOCC2=O)C[C@@H]1C 1184588181 XCELYULFFQOJAW-UONOGXRCSA-N 307.394 -0.447 30 20 DBED C[C@H]1CN(C(=O)c2cn(C)c(=O)n2C)CC[C@H]1CNCC#N 1185762633 OIHTZOBALQCNKK-RYUDHWBXSA-N 305.382 -0.065 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)[C@@H]2CCCCO2)C1 1189650975 GCMREPJZAHSYHF-KBPBESRZSA-N 307.394 -0.162 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)Cn2nccn2)C1 1190382560 ZMDYRJBLEUXZKW-LBPRGKRZSA-N 306.370 -0.887 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)C2CCCC2)C1 1190616886 FCVAAGULMIGUJP-MRVWCRGKSA-N 307.394 -0.524 30 20 DBED C=CCOCC(=O)N[C@@H]1CN([C@@H](C)c2ncccn2)C[C@H]1O 1191778265 TXBSQVKJPQUTHD-YNEHKIRRSA-N 306.366 -0.099 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(CCNC(=O)NC(C)C)C[C@H]1O 1192761430 JOLXOCSVPKXJPJ-ZIAGYGMSSA-N 324.425 -0.485 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)CCc2cccnc2)C1 1194493436 NCFLTPZLAJNTEO-HZPDHXFCSA-N 317.389 -0.175 30 20 DBED C[C@@H](OCC1CC1)C(=O)N1CCCN(CC(=O)NCC#N)CC1 1195148644 GQFIIKKURXMILD-CYBMUJFWSA-N 322.409 -0.024 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@H](C)NC(=O)c2ccco2)C1 1198881033 URVUDXWDAQPOEN-YNEHKIRRSA-N 319.361 -0.418 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCCO[C@@H](CNCCCO)C1 1200379768 QKYIIBDLYUCXNQ-ZFWWWQNUSA-N 300.399 -0.097 30 20 DBED C=CCOCCNC[C@@H]1CN(C(=O)c2ncn(C)n2)CCCO1 1200436511 QABMDENTQJDPSS-CYBMUJFWSA-N 323.397 -0.162 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCCO[C@@H](CNCC#N)C1 1200722389 WKHUXCUGYBVFIC-GJZGRUSLSA-N 304.394 -0.185 30 20 DBED C=C(C)CNC1CCN(C(=O)[C@H](CCC(N)=O)NC(C)=O)CC1 1202961637 OWNSDYSQZDBYGG-AWEZNQCLSA-N 324.425 -0.087 30 20 DBED N#CCN[C@@H]1C[C@@H](NC(=O)CCCS(N)(=O)=O)C12CCC2 1203326320 UGTWXJFUDMRWTN-GHMZBOCLSA-N 314.411 -0.404 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)c2cocn2)[C@H](C)C1 1206558885 IHSUHNQUIJEBCM-GRYCIOLGSA-N 304.350 -0.137 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)c2cn(C)cn2)[C@H](C)C1 1206870600 DIDIQWKNLFYZBU-JHJVBQTASA-N 317.393 -0.392 30 20 DBED Cc1cc(C(=O)N2CCC[C@H](NCC(=O)NCC#N)C2)cnn1 1207893827 WIKOAFYEUFFKIX-ZDUSSCGKSA-N 316.365 -0.381 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC[C@@H](NCC(=O)NC(=O)NC)C1 1208018971 WXJRRTKTFPYMMQ-VXGBXAGGSA-N 324.381 -0.939 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)[C@H]2CC2(F)F)[C@H](OC)C1 1212218999 TWHVTLORICSOEI-GMTAPVOTSA-N 317.336 -0.241 30 20 DBED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)[C@@H]1CC12CC2 1213488166 SNYSTWBJUNEQJP-QJPTWQEYSA-N 306.366 -0.758 30 20 DBED CC#CCN[C@@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)CC)C[C@H]1C 1214678584 IBKXHZPLRBHUQD-JHJVBQTASA-N 315.439 -0.226 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@H]1C 1214703502 PZFXULOELFLELL-DGCLKSJQSA-N 314.407 -0.883 30 20 DBED C=CCOCC(=O)N1CCO[C@@H]2CN(Cc3nnc(C)o3)C[C@@H]21 1217531892 BPEMLEVXCQIQQB-QWHCGFSZSA-N 322.365 -0.008 30 20 DBED C=CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CCNS(C)(=O)=O 1218048118 CJRXDURJYDSWDF-NWDGAFQWSA-N 317.411 -0.977 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)c2cocn2)C1 1219357693 HIJZYNULUNNDSI-UMNHJUIQSA-N 308.338 -0.860 30 20 DBED N#CCNC(=O)CN1CCC(CNC(=O)[C@H]2CCCO2)CC1 1222325288 LXTPJZXAVTXTNE-CYBMUJFWSA-N 308.382 -0.367 30 20 DBED CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1NCC#N 1226383782 RISNFRQQXGIKPQ-IJLUTSLNSA-N 316.427 -0.145 30 20 DBED C=CCOCCN1CCC(NC(=O)CCn2cnnn2)CC1 1229740230 HARYRQBWCIHSOP-UHFFFAOYSA-N 308.386 -0.154 30 20 DBED C#CCN1CCS(=O)(=O)[C@@H](CCNC(=O)c2ccccn2)C1 1230410962 UKJYKNBIKDJPKE-ZDUSSCGKSA-N 321.402 -0.066 30 20 DBED CC(=O)CCCC(=O)N(C)C[C@H]1CCN1CC(=O)NCC#N 1230759960 YOUQUHDJNXHVMH-CYBMUJFWSA-N 308.382 -0.082 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N1CCCN(C(C)=O)CC1 1254493035 QYONNEAQHDKBIK-UHFFFAOYSA-N 317.411 -0.149 30 20 DBED C=CCN(C(=O)Cn1ncn2nccc2c1=O)[C@@H](C)COC 1261779977 BIJAKFHZDUYEDC-NSHDSACASA-N 305.338 -0.060 30 20 DBED N#CCCCCS(=O)(=O)N1CCC[C@@H](S(N)(=O)=O)C1 1319935702 WKVHCGWMTXZDPR-SNVBAGLBSA-N 309.413 -0.237 30 20 DBED C=CC[C@H](NC(=O)Cn1cc(C(=O)OC)nn1)C(=O)OCC 1320139374 IBEUSTZMACJYDL-VIFPVBQESA-N 310.310 -0.311 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N[C@H](C)c1ncn(C)n1 1320518016 GNBRSPROCUORID-SECBINFHSA-N 301.372 -0.224 30 20 DBED C#CCOCCNC(=O)C(=O)NCc1ccc2c(c1)OCO2 1321519305 SBAWXKHIYKHCCH-UHFFFAOYSA-N 304.302 -0.203 30 20 DBED CN(C)[C@H](CNC(=O)C(=O)N1CCO[C@@H](C#N)C1)c1ccco1 1322874263 ZIWUJZOZNXHTKS-NWDGAFQWSA-N 320.349 -0.251 30 20 DBED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@@H](C)C(=O)N(C)C 1323950737 SSERPKDEGSHAIR-QJPTWQEYSA-N 311.382 -0.323 30 20 DBED CNC(=O)[C@]1(C)CCN(C(=O)C(=O)Nc2ccc(C#N)cn2)C1 1327835287 UVVNWMVUKAYUHL-OAHLLOKOSA-N 315.333 -0.124 30 20 DBED C#CCn1cc(CNC(=O)CCN2C(=O)CCNC2=S)cn1 1334641119 ROHBTJIBUGQHLY-UHFFFAOYSA-N 319.390 -0.371 30 20 DBED C=CCCOCCn1nnnc1N1CCC(CO)(CO)CC1 1335530665 XAIXYYONBZPYET-UHFFFAOYSA-N 311.386 -0.163 30 20 DBED C=C(C)Cn1c([C@H]2CNC(=O)C2)nnc1N1CCN(C)C(=O)C1 1341833002 QATZWKGXIPKIBB-LLVKDONJSA-N 318.381 -0.264 30 20 DBED N#Cc1cccc(NC(=O)C(=O)NCC(=O)N2CCCC2)n1 1345793369 VNMIYLSPOASKEL-UHFFFAOYSA-N 301.306 -0.370 30 20 DBED Cn1cc(C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)nn1 1361293200 WPKVGMYGHKVHCK-UHFFFAOYSA-N 302.298 -0.501 30 20 DBED Cn1nncc1NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1361383247 JTCRYVBMTRJTTL-UHFFFAOYSA-N 320.334 -0.508 30 20 DBED C[C@@H](C(=O)N1CCC[C@@H](NC(=O)N(C)C)C1)n1cnc(C#N)n1 1363024465 QUHWQUVPQJCPIL-WDEREUQCSA-N 319.369 -0.027 30 20 DBED Cc1[nH]c(C#N)cc1C(=O)N(C)Cc1nnc2n1CCNC2=O 1363403590 RHURPVYVIQIJGZ-UHFFFAOYSA-N 313.321 -0.198 30 20 DBED C=C(Cl)CN1CC(O)(CNC(=O)[C@@H]2COCCN2CC)C1 1368297058 AUFQFGLGSCBABW-LBPRGKRZSA-N 317.817 -0.378 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@@H]1CCCN(C(=O)CCNC(N)=O)C1 1373214181 JYQQRINYOJLFDC-GHMZBOCLSA-N 309.370 -0.346 30 20 DBED C[C@H](C#N)C(=O)N(C)CCNC(=O)c1ccn(CCN(C)C)n1 1373473471 KWROBUQTIRSAQV-GFCCVEGCSA-N 320.397 -0.207 30 20 DBED COc1cc(CN2CC(O)(CNC(=O)[C@H](C)C#N)C2)ccn1 1380581879 QIMNJOAWACHWAG-LLVKDONJSA-N 304.350 -0.087 30 20 DBED C=C(Cl)CNC[C@H](O)CN(C)C(=O)CCn1ccnn1 1394736666 RHOAKVGTNIIENP-NSHDSACASA-N 301.778 -0.170 30 20 DBED CNC(=O)NCCC(=O)N1CC[C@@H](N(C)C(=O)[C@H](C)C#N)C1 1407215225 NEJXROIAMGQAHT-GHMZBOCLSA-N 309.370 -0.476 30 20 DBED N#Cc1cn(CC(=O)N2CCOCC23CCC3)c(=O)nc1O 1411940770 ZKGQPFNLGMSABR-UHFFFAOYSA-N 304.306 -0.398 30 20 DBED COCCN(CCNC(=O)Cn1ccnc1C)C(=O)[C@@H](C)C#N 1413500332 SRSGZGAJSZAALC-LBPRGKRZSA-N 321.381 -0.058 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CCN(C(=O)c2ccc(C(N)=O)o2)C1 1414936143 GCPIUPMVMZHCCQ-BDAKNGLRSA-N 304.306 -0.131 30 20 DBED CC[C@H](CNC(=O)c1cc(C#N)c[nH]1)NCC(=O)NC(=O)NC 1421395020 QAWNFTILJMWTIX-SNVBAGLBSA-N 320.353 -0.560 30 20 DBED CS(=O)(=O)CC(=O)NC[C@@H]1CCN1C(=O)c1cc(C#N)c[nH]1 1431996297 HMUUESNRURDSOA-JTQLQIEISA-N 324.362 -0.738 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]1CNC(=O)C(C)(C)S(C)(=O)=O 1432114748 AIAWRTFMMSGFQH-NXEZZACHSA-N 315.395 -0.314 30 20 DBED CC(C)Cn1nccc1C(=O)NC[C@@H](O)CNC(=O)[C@H](C)C#N 1433296942 CUTALXIRCVQVEF-NEPJUHHUSA-N 321.381 -0.094 30 20 DBED C[C@H](C(=O)NC[C@H]1CC(=O)N(C2CC2)C1)n1cnc(C#N)n1 1433850358 HQNICAIWXJKDHF-NXEZZACHSA-N 302.338 -0.162 30 20 DBED CCN(C(=O)Cc1nc[nH]n1)[C@@H]1CCN(C(=O)[C@@H](C)C#N)C1 1450800003 RVCAWBBNXOLVDZ-WDEREUQCSA-N 304.354 -0.044 30 20 DBED CC(=O)N1CC(C(=O)N[C@H]2C[C@@H](CNC(=O)[C@H](C)C#N)C2)C1 1452978209 LPBUDWJWAASOML-XWIASGKRSA-N 306.366 -0.365 30 20 DBED CCOc1ccc(C(=O)NC[C@@H](O)CNC(=O)[C@@H](C)C#N)cn1 1457995504 GLVOKSDOTNISCP-JQWIXIFHSA-N 320.349 -0.153 30 20 DBED Cn1c(=O)c(Cn2c(=O)[nH]cc(C#N)c2=O)nc2ccccc21 1473047772 KJJBYNDYKVIFRQ-UHFFFAOYSA-N 309.285 -0.297 30 20 DBED COC[C@@H](NS(=O)(=O)Cc1ccc(F)cc1C#N)C(N)=O 1475113029 RTPPKRGPNUTJRU-LLVKDONJSA-N 315.326 -0.383 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC[C@@H](NC(=O)CNC(=O)OC)C1 1494258646 LYPKMQYMOGDHRS-NWDGAFQWSA-N 324.381 -0.939 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H](O)CNCc2ncccn2)c1 1496962942 YKJORJACBYUUPW-LLVKDONJSA-N 300.322 -0.443 30 20 DBED C[C@H](C#N)C(=O)N(C)C1CCN(C(=O)C2(NC(N)=O)CC2)CC1 1510126990 GQWCLIDRMQKBLO-SNVBAGLBSA-N 321.381 -0.204 30 20 DBED CS(=O)(=O)CC[C@H](N)C(=O)NCc1nc(C#N)cs1 1574057324 KYDQLKQJNBBOSO-QMMMGPOBSA-N 302.381 -0.607 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2C[C@@H](N)C2(C)C)C1=O 1574935198 CCYHGULTCVGARA-BDAKNGLRSA-N 308.338 -0.795 30 20 DBED CC#CC[C@H](N)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 1574970347 TYQLUEOLCXDKND-LBPRGKRZSA-N 319.365 -0.579 30 20 DBED CC[C@H](CNC(=O)[C@@H](C)C#N)N=c1cc[nH]c(-c2nn[nH]n2)n1 1576765297 AODXWNQNRMJJPN-DTWKUNHWSA-N 315.341 -0.455 30 20 DBED C#CCN(C(=O)C(=O)N1CCN(C(C)(C)C(=O)O)CC1)C(C)C 1588458551 ORQURORPDKRUPY-UHFFFAOYSA-N 323.393 -0.136 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@H]1C[C@H](N=c2cc[nH]c(C(=O)O)n2)C1 1588684380 PMZHBOAMIKUSOK-YHAQOWFVSA-N 320.349 -0.017 30 20 DBED C[C@@H](CC#N)N(C)C(=O)C(=O)Nc1cccc(-c2nn[nH]n2)n1 1589787884 QXLSWFARPGPFQG-QMMMGPOBSA-N 314.309 -0.039 30 20 DBED N#CCC1CN(S(=O)(=O)c2ccc(-c3nn[nH]n3)nc2)C1 1592673168 AAFVGPATUVMNNE-UHFFFAOYSA-N 305.323 -0.204 30 20 DBED C=CC(C)(C)CC(=O)N1CC(O)(CNC(=O)[C@H]2C[C@H]2C(=O)O)C1 1602805536 AAUCRTXAXRCMRJ-WDEREUQCSA-N 324.377 -0.001 30 20 DBED C[C@H](CO)N(C)N=C1C(=O)Nc2cc(-c3nn[nH]n3)ccc21 1609114636 QQOJNPSYMKBSBK-SSDOTTSWSA-N 301.310 -0.165 30 20 DBED Cn1c(=O)[nH]c(N2CCN(CC(F)(F)F)CC2)c(C#N)c1=O 1650232296 ZIEAUBQBTWHTSZ-UHFFFAOYSA-N 317.271 -0.370 30 20 DBED Cc1nc(CC(=O)NCCCN2CCN(CC#N)CC2)n[nH]1 1752343471 LQPWFHDRUCHNDR-UHFFFAOYSA-N 305.386 -0.697 30 20 DBED C#CCN1CCN(CCCNC(=O)c2ccc(OC)nn2)CC1 1752354664 AEGQFPYOHFKERJ-UHFFFAOYSA-N 317.393 -0.144 30 20 DBED C=CCNC(=O)CN[C@@H](C)CNC(=O)Cc1cnn(C)c1C 1752880843 ZMRIXRQSIUYJQR-NSHDSACASA-N 307.398 -0.332 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)NCCN(C)[C@@H]1CCCNC1=O 1753066938 UOULWOKBSBNQQM-ZIAGYGMSSA-N 324.425 -0.216 30 20 DBED C=CCNC(=O)NC(=O)CN(C)CCNC(=O)c1[nH]cnc1C 1753076786 UWESVSMRAYHXEE-UHFFFAOYSA-N 322.369 -0.608 30 20 DBED C=CCOCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(=O)n(C)n1 1753426511 CWIRQNLOCHXVKT-STQMWFEESA-N 318.377 -0.118 30 20 DBED C#CCNC(=O)CN1CC[C@@H](N(C)C(=O)CC2(O)CCC2)C1 1753436482 ALDQPHIREVTMPN-CYBMUJFWSA-N 307.394 -0.426 30 20 DBED CN(C)S(=O)(=O)CC(=O)NCc1ccc(CNCC#N)cc1 1753591957 UHZGIVSEUZTLBB-UHFFFAOYSA-N 324.406 -0.193 30 20 DBED C=CCNC[C@@H](C)N(C)C(=O)c1cn(CC(=O)N(C)C)nn1 1753729174 HUXBXDXSDYGVAF-LLVKDONJSA-N 308.386 -0.398 30 20 DBED COCC#CCNC[C@H](C)NC(=O)Cc1nc(C2CC2)nn1C 1754295305 UEHIBUOYBVBMFR-LBPRGKRZSA-N 319.409 -0.021 30 20 DBED C#CCCN(C)C[C@H](C)NC(=O)c1cn(C)c(=O)n(C)c1=O 1754327137 XRUNDCLGUQZTNT-NSHDSACASA-N 306.366 -0.843 30 20 DBED C#CCNC(=O)[C@H](C)N(C)C[C@H](C)NC(=O)c1nc(C)c[nH]1 1754336184 HGAASGCMBCXJDY-RYUDHWBXSA-N 305.382 -0.094 30 20 DBED Cc1ncoc1C(=O)N[C@H]1[C@H]2C[C@H]1N(CC(=O)NCC#N)C2 1754421316 CCXZPTRACIYQOC-UMNHJUIQSA-N 303.322 -0.575 30 20 DBED C=CCNC(=O)CNC[C@@H]1CCCN1C(=O)C[C@@H]1CCC(=O)N1 1754618341 DDSSQRICJQSYMG-STQMWFEESA-N 322.409 -0.462 30 20 DBED CC(=O)NCC(=O)N[C@H]1CC[C@H](CNCC(=O)NCC#N)CC1 1754950956 DQNJOXGFAMKSAS-JOCQHMNTSA-N 323.397 -0.973 30 20 DBED C#CCNC(=O)CN[C@H]1CN(C(=O)c2cnn(CC)n2)C[C@H]1C 1755108482 GRLXRMWCWNAMBD-YPMHNXCESA-N 318.381 -0.903 30 20 DBED Cc1cc(=O)c(C(=O)NC[C@H](C)N(C)CC(=O)NCC#N)c[nH]1 1755321016 DORUOSVRSFBAJO-NSHDSACASA-N 319.365 -0.627 30 20 DBED N#CCN1CC(CCO)(NC(=O)[C@@H]2CCCc3n[nH]cc32)C1 1755334333 XBUUWPJTINMFIA-LLVKDONJSA-N 303.366 -0.094 30 20 DBED CN(CC(=O)NCC#N)C1CCN(C(=O)CC(C)(C)O)CC1 1755528972 FAHTYJWNRLIODD-UHFFFAOYSA-N 310.398 -0.290 30 20 DBED C#CCNC(=O)CN[C@@H]1C[C@@H](C)N(C(=O)c2cn(C)nc2C)C1 1755675673 YPPPSSQXHHFRJT-DGCLKSJQSA-N 317.393 -0.329 30 20 DBED CN(CC(=O)NCC#N)C[C@H](O)CN(C)C(=O)[C@@H]1C[C@@H]2C[C@@H]2C1 1755805051 SQSGXKTZSZRGNY-DGAVXFQQSA-N 322.409 -0.577 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)CN(C)C(=O)Cc1nc[nH]n1 1756500297 ZCHGAUABSILISG-UTUOFQBUSA-N 321.381 -0.099 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@H](CO)NC(=O)c1n[nH]c(C)c1C 1756515959 SDXYLNHKRTZJPN-IAQYHMDHSA-N 324.381 -0.439 30 20 DBED C=CC(C)(C)C(=O)N[C@@H](CO)CNC(=O)c1cnnc(O)c1 1756527984 LUNZLXVTFISYPR-SNVBAGLBSA-N 308.338 -0.399 30 20 DBED N#Cc1cc(C(=O)N2C[C@H](O)[C@H](NC(=O)C#CC3CC3)C2)c[nH]1 1757171131 HYUMDPYRKVCBLB-KGLIPLIRSA-N 312.329 -0.399 30 20 DBED C=CCOCC(=O)N(C)C[C@H]1CCN1C(=O)[C@@H]1COCCO1 1757277905 CAMXYQGYMIJVOX-OLZOCXBDSA-N 312.366 -0.336 30 20 DBED CCOC(=O)[C@@H]1C[C@H]1CS(=O)(=O)N[C@@H](CCC#N)C(=O)O 1776946549 MUAHEEXTPYHONG-AEJSXWLSSA-N 318.351 -0.138 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)[C@H](C)CC 1793400253 VHNKYKMYZVMQQH-AMVBZWJASA-N 308.378 -0.384 30 20 DBED N#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]n1)C2 1795418729 KWXLKBQTAHEGDE-PEGIJTEDSA-N 318.337 -0.688 30 20 DBED C#CC(=O)N[C@H]1CCc2nc(NC(=O)COCCO)sc2C1 1822994406 PESKVBYAQMGMDT-VIFPVBQESA-N 323.374 -0.303 30 20 DBED Cc1nc[nH]c1C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846195597 JKWLWJUMAVMXGF-UHFFFAOYSA-N 316.317 -0.377 30 20 DBED C[C@H](S)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cnnn1C 1848281739 GTIPEBZCBZWBHA-GUBZILKMSA-N 309.395 -0.051 30 20 DBED C=CCNC(=O)NC(=O)CN1C(=O)C(=O)N(CC(C)C)C1=O 3546456 BVTPVSPRDXSLKD-UHFFFAOYSA-N 310.310 -0.555 30 20 DBED Cc1cc(C)n(-c2nnc(SCC(=O)NCCC#N)n2N)n1 16548906 NOSKLJWENTUFLJ-UHFFFAOYSA-N 320.382 -0.084 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@H](C(C)C)N(C)C)CC1 112904310 OWOIEBXSXHKXLQ-INIZCTEOSA-N 322.453 -0.144 30 20 DBED C[C@H](O)C(=O)N1CCN(CC(=O)NC2(C#N)CCCCC2)CC1 153091668 IBITWVUPZRNQSV-ZDUSSCGKSA-N 322.409 -0.146 30 20 DBED N#Cc1ccc(S(=O)(=O)N2C[C@H](O)[C@@H](O)C2)c(Cl)c1 236599413 QPKFUPLSTYCKID-UWVGGRQHSA-N 302.739 -0.062 30 20 DBED N/C(=N/C[C@H]1CC[C@@H](CO)O1)N1CCN(c2ncccn2)CC1 262632224 FTPZLQKVWBSZFW-OLZOCXBDSA-N 320.397 -0.547 30 20 DBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC(O)C1 268878226 HKHIFMYZPXTANP-SECBINFHSA-N 309.347 -0.572 30 20 DBED C[C@@H](O)C(=O)N1CCN(C(=O)COc2ccc(C#N)cc2)CC1 270832160 LORPXYOCZXMIPA-GFCCVEGCSA-N 317.345 -0.011 30 20 DBED C=CCn1c(C(=O)NC(C)C)nnc1N1CC[C@H](C(N)=O)C1 282320835 QFCGLNSKALXVKL-JTQLQIEISA-N 306.370 -0.086 30 20 DBED C=C[C@@H](CO)NC(=O)c1cc(C)c2c(=O)n(C)c(=O)n(C)c2n1 290517375 GXUFCBLQFOEWPU-VIFPVBQESA-N 318.333 -0.783 30 20 DBED CN(CC(=O)N/C(O)=N/[C@H]1CCS(=O)(=O)C1)CC(F)F 330600098 URCVSKLFSMYENT-ZETCQYMHSA-N 313.326 -0.599 30 20 DBED CN(C)C(=O)[C@@H]1CC[C@H](C/N=C(/O)NC[C@@H]2COCCO2)O1 330636182 DTWLCCFXXBZWCJ-UTUOFQBUSA-N 315.370 -0.459 30 20 DBED C/N=C(/O)NC(=O)[C@H](C)N1CCN(Cc2cnn(C)c2)CC1 330662747 SOIWAZYGTDKXEJ-NSHDSACASA-N 308.386 -0.414 30 20 DBED Cc1cc(CN/C(O)=N/CCNS(=O)(=O)N(C)C)on1 331231145 HRMFFUGAQLUKKI-UHFFFAOYSA-N 305.360 -0.617 30 20 DBED CN(CCN1CCOC(C)(C)C1)C(=O)Cn1cnc(C#N)n1 331348830 UEUPGVYLNBCQBI-UHFFFAOYSA-N 306.370 -0.281 30 20 DBED C=CCN1CC[C@@H](N2CCC[C@@H]2CS(=O)(=O)NC)C1=O 332411008 NWMYWXRYWKMGCP-VXGBXAGGSA-N 301.412 -0.213 30 20 DBED CN([C@H]1CCNC1=O)S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N 340083158 LVKGTNXQBUZHIF-JTQLQIEISA-N 324.318 -0.025 30 20 DBED C[C@@H]1Cc2cc(S(=O)(=O)NCC(=O)NCC#N)ccc2O1 352538742 OEHGIYNFEHQVBX-SECBINFHSA-N 309.347 -0.072 30 20 DBED C=CCOC[C@H](NC(=O)[C@H]1CCc2nnn(C)c2C1)C(=O)OC 356338141 IYVSGCOLYUXHQH-JQWIXIFHSA-N 322.365 -0.220 30 20 DBED COCCN1CCCN(C(=O)c2cnn(C)c2C#N)CC1=O 357003902 ROVURBWEMZAALZ-UHFFFAOYSA-N 305.338 -0.387 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 374109623 VWOYJNRODWAVNF-ZUZCIYMTSA-N 306.366 -0.566 30 20 DBED N#CC1(NC(=O)CN2CC[C@@H](S(N)(=O)=O)C2)CCCCC1 408002163 BYLGIFCGKNWXQZ-LLVKDONJSA-N 314.411 -0.308 30 20 DBED CNS(=O)(=O)c1ccc(C(=O)N2CCOC[C@H]2C#N)cn1 408302268 YGFHEDDDYARNOY-SNVBAGLBSA-N 310.335 -0.646 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CCC[C@@H](C)[C@H]2CN)nn1 424551685 WVNGXIIMOHSFRP-DGCLKSJQSA-N 320.397 -0.334 30 20 DBED C=CCCn1cc(C(=O)N2CC(OCC(=O)N(C)C)C2)nn1 424698978 FTZNUUDEMCWQHX-UHFFFAOYSA-N 307.354 -0.217 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCC[C@]2(C)CO)C1=O 427010303 XVCJRKBQMFMVNL-MEBBXXQBSA-N 323.349 -0.370 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2C[C@H](O)C2(C)C)C1=O 428290951 ONQGIDBUZRZWHI-IUCAKERBSA-N 309.322 -0.761 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@H](CC)C(=O)OCC)CC1 491296346 LHHLQQSCZIBYIQ-ZDUSSCGKSA-N 323.393 -0.531 30 20 DBED C#CCN(C)S(=O)(=O)CCCS(=O)(=O)Nc1cn[nH]c1 491484051 GUEULPOTNMTJNV-UHFFFAOYSA-N 320.396 -0.564 30 20 DBED C#CCN1CCN(C(=O)CN[C@H](C(=O)NCC)C(C)C)CC1 491504050 GBBQTXPIZRUXQW-HNNXBMFYSA-N 308.426 -0.486 30 20 DBED C#C[C@H](CC)NC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C 491717273 VZDNDSKQSDKHHY-SECBINFHSA-N 302.334 -0.283 30 20 DBED C=CCn1cc(CNC(=O)N2CCN([C@@H]3CCNC3)CC2)nn1 519386479 WNEXEONNDMYBED-CQSZACIVSA-N 319.413 -0.347 30 20 DBED Cn1c(=O)c2ccn(CC(=O)NC(C)(C)C#N)c2n(C)c1=O 543758206 CGYHDJJMBMXSGX-UHFFFAOYSA-N 303.322 -0.543 30 20 DBED C[C@@H](C#N)CNS(=O)(=O)CCCS(=O)(=O)N(C)CC#N 560815772 HRTMEPSJHZRHPB-JTQLQIEISA-N 322.412 -0.759 30 20 DBED C=CCCn1cc(C(=O)N2CC[C@@H](S(=O)(=O)NC)C2)nn1 563009358 KQAJFVLLXIWDGV-SNVBAGLBSA-N 313.383 -0.382 30 20 DBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCCN1CCCC1=O 565784492 WOLPRJYFKGOKSB-JSGCOSHPSA-N 323.393 -0.178 30 20 DBED CN(C)C[C@H](CO)NCCS(=O)(=O)c1ccc(C#N)cn1 579353704 GPBACKYTBCBIMQ-GFCCVEGCSA-N 312.395 -0.761 30 20 DBED COC(=O)c1cncc(S(=O)(=O)N2CCO[C@H](C#N)C2)c1 582464112 YRSOIIQPRRUVTO-SNVBAGLBSA-N 311.319 -0.219 30 20 DBED CC(C)n1cc(C#N)c(NC(=O)C(=O)N[C@H]2CO[C@H](C)C2)n1 592316525 RQJJUHLOPGOKPT-MWLCHTKSSA-N 305.338 0.568 30 20 DBED CN(C)CCN1C[C@@H](C(=O)N2CC[C@@](O)(CC#N)C2)CC1=O 592846528 WYTAYUVWSKOKMI-WFASDCNBSA-N 308.382 -0.726 30 20 DBED CN(C)S(=O)(=O)N(C)CC(=O)N[C@@]1(C#N)CCSC1 593444083 LTNXLLGDDJTZRA-SNVBAGLBSA-N 306.413 -0.760 30 20 DBED CCS(=O)(=O)N[C@@H](C)C(=O)N1CCN(CCC#N)CC1 602203165 QBKKMTUUCRFAHK-NSHDSACASA-N 302.400 -0.628 30 20 DBED N#C[C@H]1CN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CCO1 609278121 QJEXKLNUFVRVAV-VIFPVBQESA-N 323.330 -0.069 30 20 DBED C=CCn1c(-c2cn[nH]c2)nnc1N1CCO[C@@H](C(N)=O)C1 624845444 ABPIUVOMLBKAQQ-SNVBAGLBSA-N 303.326 -0.455 30 20 DBED C=CC[C@]1(C(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)CCCN1 662829600 UUMKCOSFVUFWQE-DGCLKSJQSA-N 301.412 -0.165 30 20 DBED C=C[C@](C)(O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C 665794610 RYMOWYGCQNZLHJ-AWEZNQCLSA-N 304.306 -0.492 30 20 DBED C#CCOc1ccccc1CNC(=O)C[C@H](NC(C)=O)C(N)=O 746268188 YQPMWPRYOYIRHX-ZDUSSCGKSA-N 317.345 -0.305 30 20 DBED CN(C)S(=O)(=O)CCC(=O)OCC(=O)NC1(C#N)CCC1 784244219 RXIIAHXMYWUKKP-UHFFFAOYSA-N 317.367 -0.626 30 20 DBED N#Cc1ccc(O[C@H]2CCN(C(=S)NCC(N)=O)C2)nc1 793260645 NFRDQWRIGUJQTM-JTQLQIEISA-N 305.363 -0.234 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)CCC(=O)c1cnn(C)c1 796157413 LWIYGWOVBPZLLI-UHFFFAOYSA-N 322.321 -0.062 30 20 DBED C=CCOC[C@@H](NC(=O)C[C@H]1SC(=N)NC1=O)C(=O)OC 797761677 IGFSTDBKVUUJMT-HTQZYQBOSA-N 315.351 -0.597 30 20 DBED COC(=O)[C@]1(F)CCN(S(=O)(=O)N(C)C[C@@H](C)C#N)C1 800071366 NPSDPLZCDIYOKI-ONGXEEELSA-N 307.347 -0.090 30 20 DBED C[C@H](CC(=O)N(C)CCN)/N=C1/NS(=O)(=O)c2ccccc21 818010319 JSVLIINZFPNTQW-SNVBAGLBSA-N 324.406 -0.079 30 20 DBED C=C[C@H](O)C(=O)N1CCN(S(=O)(=O)N(CC)CC)CC1 820110083 PFJITVVTNCMADR-NSHDSACASA-N 305.400 -0.736 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)C#CC(C)(C)C)CC1 831580039 WFNZUMLMPWYNFH-UHFFFAOYSA-N 311.407 -0.352 30 20 DBED COCCN(CC#N)C(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1 837234575 ONCIXUMEIMWPBB-LBPRGKRZSA-N 324.362 -0.285 30 20 DBED CC(C)(C)OC(=O)NCCn1cc(C(=O)NCC#CCO)nn1 854357865 KTOQNNOXRBOQPR-UHFFFAOYSA-N 323.353 -0.472 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2[C@H](C)O[C@H](C)[C@@H]2C)CC1 859180130 RXYLVZAMUJZPRY-FQLMCAECSA-N 321.421 -0.061 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N1CCC(C(=O)OC)CC1 875596080 HPYMIIHSPGRYRZ-ZDUSSCGKSA-N 324.377 -0.057 30 20 DBED C#CC[C@@H](CO)NC(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O 919260869 ATCRJGINIRFNHS-JQWIXIFHSA-N 305.338 -0.791 30 20 DBED C#CCN(C(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1)C(C)C 928627104 KHCZTIQELVZXOO-NSHDSACASA-N 312.395 -0.043 30 20 DBED C=C[C@@](C)(CC)C(=O)N1CC[C@H](NC(=O)Cn2cnnn2)C1 937656784 CFQMWQOCAXLLDD-FZMZJTMJSA-N 306.370 -0.008 30 20 DBED Cc1nn[nH]c1C(=O)N1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 939934520 SWWHPZURTSUALS-SNVBAGLBSA-N 313.321 -0.043 30 20 DBED CS(=O)(=O)CC(=O)N1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 940094416 GKARLJYVADJGBR-SNVBAGLBSA-N 324.362 -0.738 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2CCN(CC(N)=O)C[C@H]2C)c1 942618041 STOOUTBCMAAMOI-BXUZGUMPSA-N 300.362 -0.012 30 20 DBED CC#CCN1CCOC2(CCN(C(=O)[C@H]3CCC(=O)N3)CC2)C1 949322693 ASJNJXUULGHCEB-CQSZACIVSA-N 319.405 -0.018 30 20 DBED C#CCN1CCOC2(CCN(C(=O)[C@H]3CN(C)CCO3)CC2)C1 949326318 NBJDRHXOISTANS-OAHLLOKOSA-N 321.421 -0.356 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN(Cc2nnnn2C)CC1 951710144 FJZWTTQGXZWQPD-JSGCOSHPSA-N 320.397 -0.165 30 20 DBED C[C@H]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)CC(N)=O 955590421 BWQNUYCJXUKFAQ-GXSJLCMTSA-N 317.349 -0.129 30 20 DBED C#Cc1ccc(C(=O)N[C@]2(C)CCN(C(=O)C(N)=O)C2)nc1 957252161 TUDGOTWRZCCQAZ-OAHLLOKOSA-N 300.318 -0.731 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](CNC(=O)c2cc(=O)n(C)o2)C1 957999813 NSRVIHHTDLRTLN-VXGBXAGGSA-N 309.366 -0.033 30 20 DBED C#CCN1C[C@H](CNC(=O)c2c3c(nn2C)CCCC3)[C@@H](O)C1 958101228 OHIFIQFWYQELAT-WFASDCNBSA-N 316.405 -0.045 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](CNC(=O)c2cnc(O)n(C)c2=O)C1 958317411 WZXNMQMIFPUPQP-ZYHUDNBSSA-N 322.365 -0.916 30 20 DBED CN1CC[C@H](N2C[C@H]3[C@H](NC(=O)c4c[nH]c(C#N)c4)[C@H]3C2)C1=O 958618299 RCPJARDBXAPECY-RFQIPJPRSA-N 313.361 -0.223 30 20 DBED C=CCN1C[C@@H](O)[C@H](CNC(=O)c2cnn(CCOC)c2)C1 958634275 AGVKOODWIQBYGQ-TZMCWYRMSA-N 308.382 -0.262 30 20 DBED C=C[C@](C)(CC)C(=O)N1CCOC2(CN(C(=O)CC(N)=O)C2)C1 965477771 DKDZXZKLNYBVLF-OAHLLOKOSA-N 323.393 -0.096 30 20 DBED C#CCN1CC[C@@H](C)[C@H](NC(=O)CN2C(=O)CN(C)C2=O)C1 968626622 BRUGALCLDSZCPQ-VXGBXAGGSA-N 306.366 -0.660 30 20 DBED CC(C)c1n[nH]cc1C(=O)N[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1O 968687903 CBWJFNFKYPUEAD-JLLWLGSASA-N 319.365 -0.006 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)c2ncccc2F)C1 970078300 RHIODYVVFLEHDP-IEBDPFPHSA-N 306.297 -0.318 30 20 DBED C#CCCN1CCO[C@]2(CCN(C(=O)c3cn(C)nn3)C2)C1 972370383 NBIJKHVLBCTXOL-OAHLLOKOSA-N 303.366 -0.245 30 20 DBED N#Cc1cc(C(=O)NC[C@@H]2CCCN(C(=O)C(N)=O)C2)c[nH]1 975212532 FYKRDMJTSGGDAC-VIFPVBQESA-N 303.322 -0.660 30 20 DBED N#Cc1ccc(C(=O)NC[C@H]2CCCN(C(=O)C(N)=O)C2)[nH]1 975226579 CVVZCYZSXZUSFJ-SECBINFHSA-N 303.322 -0.660 30 20 DBED C=CCn1cc(C(=O)N2CCC(N(C)[C@H](C)C(N)=O)CC2)nn1 985695407 MSEJMAKPDZOZRS-LLVKDONJSA-N 320.397 -0.126 30 20 DBED NC(=O)N1CCC(C(=O)NC2CN(C(=O)C#CC3CC3)C2)CC1 991339541 NMMXDTBNSJEFFY-UHFFFAOYSA-N 318.377 -0.483 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2CCN(C)C2)C1 991719511 HOSQOZNDOXPEEF-YUTCNCBUSA-N 307.394 -0.144 30 20 DBED C#CCN1CC[C@]2(NC(=O)Cn3nc(C)n(C)c3=O)CCC[C@@H]12 992452891 FVHDXOVXYDRRJX-CZUORRHYSA-N 317.393 -0.363 30 20 DBED CC(=O)N1CCO[C@H](C(=O)N2C[C@@H](NCC#N)C(C)(C)C2)C1 996573622 KSMXTKLQFALGOX-QWHCGFSZSA-N 308.382 -0.416 30 20 DBED C#CCN[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 999144209 JZBOZRYXGRCGIE-QWHCGFSZSA-N 315.377 -0.024 30 20 DBED N#Cc1c[nH]c(C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)C(N)=O)c1 999872774 UEOFGXBQHGFLHP-YWVKMMECSA-N 301.306 -0.767 30 20 DBED C#CCN1CC[C@@H](n2cc(CNC(=O)[C@@]34COC[C@@H]3C4)nn2)C1 999994559 YTKZJEIQJCLZJB-BJJXKVORSA-N 315.377 -0.189 30 20 DBED Cc1nn[nH]c1C(=O)NCc1cn([C@@H]2CCN(CC#N)C2)nn1 1000012267 AQCYMZUAAMZLLU-LLVKDONJSA-N 315.341 -0.595 30 20 DBED C#Cc1cncc(C(=O)NCC2CN(C(=O)c3[nH]nnc3C)C2)c1 1004200793 GPHYIEBFZLPCNJ-UHFFFAOYSA-N 324.344 -0.009 30 20 DBED C#CCCN1CCC(N(C)C(=O)c2nnc(O)nc2O)CC1 1005665947 DPEDQGAYSSWVGJ-UHFFFAOYSA-N 305.338 -0.158 30 20 DBED C[C@H](NC(=O)[C@@H]1CCC(=O)N1)C1CN(C(=O)C#CC2CC2)C1 1006533462 KHZFVNXSQSZTEH-GWCFXTLKSA-N 303.362 -0.359 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CC[C@H]1CN2C(=O)CN1CCCC1=O 1007093987 VRCMHXWSPJBVKZ-UPJWGTAASA-N 318.377 -0.030 30 20 DBED N#CCN1CCC[C@@H](NC(=O)[C@H]2CN3CC4CC3(CO2)C4)C1 1007992491 XNHNZUYNHIMBTO-MYMJJRTCSA-N 304.394 -0.046 30 20 DBED CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CCCN(CC#N)C2)O1 1008509682 OEDJDRPOJUFDPC-UPJWGTAASA-N 308.382 -0.274 30 20 DBED NC(=O)c1cc(C(=O)N2CCN(C(=O)C#CC3CC3)CC2)c[nH]1 1011110737 MYANVUOKXNVMQL-UHFFFAOYSA-N 314.345 -0.189 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C(=O)[C@@H]2CCc3nncn3C2)CC1 1011252797 FIRDXFFWINQIKE-VXGBXAGGSA-N 316.365 -0.329 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C(=O)c2cn(C)c(=O)n2C)CC1 1011286292 MSJSHDNLYCTZFM-JTQLQIEISA-N 305.338 -0.832 30 20 DBED O=C(NC1[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]12)[C@@H]1COCCO1 1012801018 RQOITHHLNQILCK-UPJWGTAASA-N 304.346 -0.612 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1[C@H]2CN(C(=O)CC(N)=O)C[C@H]12 1013173512 BXRXCIKNMTXJPF-VEABSNGSSA-N 321.377 -0.584 30 20 DBED C=CCN1CC[C@@H](NC(=O)c2ccc(=O)n(CCOC)n2)C1 1015174778 BZUOMRZKYDHNPB-GFCCVEGCSA-N 306.366 -0.120 30 20 DBED C#CCN1CCC2(CC1)C[C@H]2NC(=O)CN1C(=O)CCC1=O 1016963931 SGWIMQWMHOYZPK-GFCCVEGCSA-N 303.362 -0.261 30 20 DBED C[C@@H]1CC[C@H](NC(=O)Cn2cnnn2)CN1C(=O)C#CC1CC1 1017959428 AFOATMJGVAHWEN-YPMHNXCESA-N 316.365 -0.418 30 20 DBED Cc1ncc(CC(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2O)o1 1024147803 XYPZHSDYBDRAFU-ZIAGYGMSSA-N 317.345 -0.373 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2[C@H]1CCC(=O)NC1=O 1029244445 HEHGWJKMCSACGZ-YFKTTZPYSA-N 304.350 -0.374 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)c3cnns3)C2)C1=O 1030133599 VMNSJYCEEPNSCX-JTQLQIEISA-N 307.379 -0.261 30 20 DBED N#CCN1CC(CNC(=O)[C@@H]2COCCN2CC(F)F)C1 1031876526 VYKBHVJRBQXAJH-NSHDSACASA-N 302.325 -0.476 30 20 DBED C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CN(C(C)=O)CCO1 1032760413 AVZKJTAGHCWHDA-SOUVJXGZSA-N 305.378 -0.458 30 20 DBED C=CCN1CCO[C@@H](CNC(=O)[C@@H]2CCCS(=O)(=O)C2)C1 1035531807 UFNBVXSKUZQINY-OLZOCXBDSA-N 316.423 -0.186 30 20 DBED C#CCCN1CCO[C@@H](CNC(=O)c2ccc(N(C)C)nn2)C1 1035582492 HTKYYQXYEUDLKO-ZDUSSCGKSA-N 317.393 -0.004 30 20 DBED C=CCN1CCO[C@@H](CNC(=O)[C@@H]2CCCS2(=O)=O)C1 1035612377 YMVUYJYXJYELGP-RYUDHWBXSA-N 302.396 -0.433 30 20 DBED C#CCCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)Cc1nc2ncccn2n1 1037727012 HOVFGWHOTAGANE-TYNCELHUSA-N 310.361 -0.121 30 20 DBED C=C(Cl)CN1CC[C@@H]1CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 1038698438 WMVGRORUVUTNPC-OUAUKWLOSA-N 301.774 -0.038 30 20 DBED N#CCN1CC[C@@H](C2CCN(C(=O)Cn3cnnn3)CC2)C1 1039105858 ZQCOLRBONZYOME-CYBMUJFWSA-N 303.370 -0.243 30 20 DBED C#CCOCCC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2CCCO2)C1 1039719250 QPPJRBJEPILSMC-BBRMVZONSA-N 324.377 -0.715 30 20 DBED C=C(C)CCC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2CCNC2=O)C1 1040486175 RJRABWHTHQNBHM-MLGOLLRUSA-N 323.393 -0.442 30 20 DBED Cc1nc[nH]c1CC(=O)N1CC[C@@](O)(CNC(=O)[C@@H](C)C#N)C1 1040758784 BNDWUWPQEJOVMK-ZUZCIYMTSA-N 319.365 -0.500 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CN(c3cnc(F)cn3)C[C@H]2O)[nH]1 1040965552 RKOUBUKUPIUZGJ-GHMZBOCLSA-N 316.296 -0.205 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(O)(CNC(=O)c2cccnc2)C1 1041195514 JOHCTKBWFCCNFY-OAHLLOKOSA-N 319.361 -0.288 30 20 DBED C[C@H]1C[C@H]1C(=O)NCC1(O)CN(C(=O)c2c[nH]c(C#N)c2)C1 1041286868 VDFPZBHRYDTMJC-JOYOIKCWSA-N 302.334 -0.155 30 20 DBED Cc1c(C(=O)NCC2(O)CN(C(=O)[C@H](C)C#N)C2)cnn1C 1041479044 PHUSDGYOJHXNRV-SECBINFHSA-N 305.338 -0.809 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@@H](C)CC)C1 1041561089 XHEOFVQKFGGJRL-KBPBESRZSA-N 321.421 -0.180 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2ccon2)C1 1041707015 RVTGLQKIEPEBES-JTQLQIEISA-N 307.306 -0.984 30 20 DBED N#CCN1CC[C@]2(CCN(C(=O)CC[C@H]3NC(=O)NC3=O)C2)C1 1041821394 FTDYUDKAEVFDEQ-ABAIWWIYSA-N 319.365 -0.577 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)CC2CCOCC2)C1 1042201671 YCJHQZCBSXXMTF-NSHDSACASA-N 309.366 -0.348 30 20 DBED CCNC(=O)CC(=O)NCC1(O)CN(C(=O)C#CC(C)(C)C)C1 1042678988 GXZYNHQRLCKEQL-UHFFFAOYSA-N 323.393 -0.748 30 20 DBED C=CCCCC(=O)N1CC(O)(CNC(=O)c2ncn(C)n2)C1 1042896659 WBASFXOKBLPZHZ-UHFFFAOYSA-N 307.354 -0.526 30 20 DBED Cc1nonc1CC(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042960506 KRZTXTUPCVDHRH-UHFFFAOYSA-N 318.333 -0.977 30 20 DBED Cc1noc(C)c1CC(=O)NCC1(O)CN(C(=O)[C@@H](C)C#N)C1 1043005608 WXZWSSUUGRMFOB-VIFPVBQESA-N 320.349 -0.317 30 20 DBED C[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1N=c1cc[nH]c(C#N)n1 1043240610 FKNKNLLDXOXRDA-MWLCHTKSSA-N 312.337 -0.529 30 20 DBED C=C(C)CCC(=O)NCC1(O)CN(C(=O)C[C@H]2CCNC2=O)C1 1043315713 SHHIEUMSYCOWTI-GFCCVEGCSA-N 323.393 -0.442 30 20 DBED C=CCCOCC(=O)NCC1(O)CN(C(=O)c2cnco2)C1 1043570248 HAJLFWKZCRQNNT-UHFFFAOYSA-N 309.322 -0.430 30 20 DBED Cc1nn[nH]c1C(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@@H]1O 1044382192 FLQBTCPDBPJKPP-NEPJUHHUSA-N 313.321 -0.641 30 20 DBED C[C@@H]1CC[C@H](C(=O)N[C@@H]2CN(c3ccc(C#N)nn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c2cnn[nH]2)C1 1049062275 YSGDMNHSFMBASX-RYUDHWBXSA-N 307.354 -0.195 30 20 DBED Cn1c(O)ncc(C(=O)N2CCC[C@H]3[C@@H]2CCN3CC#N)c1=O 1049633138 GTNSLMLITMBLAN-RYUDHWBXSA-N 317.349 -0.312 30 20 DBED C#CCOCCC(=O)N1CC[C@H]([C@@H](C)NC(=O)CC(=O)NC)C1 1050728680 MQTCTCRGJMNOPY-OLZOCXBDSA-N 323.393 -0.484 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)[C@H]1CN2CC3CC2(CO1)C3 1051037298 CXWDYMCFJNORMB-KRIMKBQASA-N 319.405 -0.700 30 20 DBED C=CCN1CCOC[C@@H]1CNC(=O)[C@H]1CCc2nnn(C)c2C1 1051088104 TUYDPIXQTYOBTH-STQMWFEESA-N 319.409 -0.077 30 20 DBED N#Cc1cccnc1NC1CC(CNC(=O)[C@H]2CNC(=O)N2)C1 1052072597 MACFNUBFZUUJAL-QEWOUOOISA-N 314.349 -0.059 30 20 DBED N#CCN1CCC[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)CC1 1052864263 DTRSELYZTLHAFK-SNVBAGLBSA-N 315.337 -0.475 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCOC2(CN(CC(N)=O)C2)C1 1053469747 QILDXUHSPVXKRA-JSGCOSHPSA-N 323.393 -0.634 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)c1ccc(=O)n(C)n1)CCO2 1053525371 COAYLYFHUVNXKK-UHFFFAOYSA-N 316.361 -0.670 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)[C@H]1CCC(=O)N(C)C1)CCO2 1053542320 DBGBNGNBUMOUNT-AWEZNQCLSA-N 319.405 -0.209 30 20 DBED C#CCCCCC(=O)N1CCC[C@](CO)(NC(=O)CC(N)=O)C1 1055846040 OEXKIZDPRCKHBZ-INIZCTEOSA-N 323.393 -0.475 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@](CO)(NC(=O)CCCC(N)=O)C1 1055996545 GFPKCACBBPXDNK-NHYWBVRUSA-N 324.381 -0.729 30 20 DBED Cn1cnc(C(=O)NC2[C@H]3CN(c4nccnc4C#N)C[C@H]23)c1 1056187154 QKDOYJQMXMWCPZ-UWVGGRQHSA-N 309.333 -0.054 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H]1CCN(C(=O)[C@H]2COCCO2)C1 1056556530 DAABCKNGSFYXBO-TZMCWYRMSA-N 302.334 -0.197 30 20 DBED CN(c1ccnc(C#N)n1)[C@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 1057033571 XREGXRQSHICKOR-AXFHLTTASA-N 314.349 -0.493 30 20 DBED C#CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)C1=CCOCC1 1057411783 PENIPKPJQYRRPV-ZDUSSCGKSA-N 324.377 -0.692 30 20 DBED N#Cc1nc(=N[C@H]2CCCN(C(=O)c3nccnc3N)C2)cc[nH]1 1057607289 ZXNLOTJSEBGJEP-JTQLQIEISA-N 324.348 -0.141 30 20 DBED C=C[C@@H](C)[C@@H](C)C(=O)NCCN(CCO)C(=O)Cn1nccn1 1057702139 JEJWXMKTEUGCCN-CHWSQXEVSA-N 323.397 -0.327 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)c1cc[n+]([O-])cc1 1058653491 WJGSAVVQBYPBAG-NSHDSACASA-N 306.322 -0.970 30 20 DBED C[C@H]1CCN(CC(=O)N(CCO)CCNC(=O)[C@H](C)C#N)C1 1058845876 YKLFDGWWHLZFJN-QWHCGFSZSA-N 310.398 -0.575 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@@H](C)OC 1058874480 YVHZKJCEKVDCBO-UPJWGTAASA-N 314.382 -0.451 30 20 DBED CN1C[C@H](C(=O)N[C@H]2C[C@H](Nc3nccnc3C#N)C2)NC1=O 1059364640 BCBXRVXQEWACSK-FXPVBKGRSA-N 315.337 -0.569 30 20 DBED C#CCO[C@H](C)C(=O)NCC[C@H]1CCN(C(=O)c2cnn[nH]2)C1 1059904231 VDDCWSZXVSLRAP-NEPJUHHUSA-N 319.365 -0.189 30 20 DBED C#CCOCCC(=O)NC[C@H]1CC[C@H](NC(=O)CC(N)=O)CC1 1060699564 ZFZGAZFTAQTUHQ-JOCQHMNTSA-N 323.393 -0.307 30 20 DBED N#Cc1cnc(NC[C@H]2CCN(C(=O)Cn3nccn3)C2)cn1 1060925761 WRSZICYRFOUEEO-LLVKDONJSA-N 312.337 -0.100 30 20 DBED N#Cc1cncc(N2CCC[C@@H]2CNC(=O)[C@@H]2COCCO2)n1 1061298681 OMYALFNKILJQKS-OLZOCXBDSA-N 317.349 -0.151 30 20 DBED C#CCCCC(=O)N1CCOC[C@H]1CNC(=O)[C@H](C)NC(N)=O 1061526744 JTYMRTVCKRFIML-NWDGAFQWSA-N 324.381 -0.810 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)CCc1cnc[nH]1 1061663579 OUMCWHHHCMTCHC-WCQYABFASA-N 319.365 -0.154 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCOC[C@@H]1CNC(=O)c1cnn[nH]1 1061696768 CBGCWPRTMXNWTQ-IINYFYTJSA-N 323.353 -0.911 30 20 DBED CN(C(=O)[C@@H]1CCNC1=O)[C@@H]1CCN(c2cncc(C#N)n2)C1 1063004164 ANHDRNIMQQBIRT-VXGBXAGGSA-N 314.349 -0.479 30 20 DBED Cc1c(C(=O)N[C@@H]2[C@H]3C[C@H]2N(c2cnc(C#N)cn2)C3)nnn1C 1064230132 ONNGJRGPEBTPOE-DRCTWCGVSA-N 324.348 -0.208 30 20 DBED N#Cc1cnccc1N1C[C@H]2C[C@H]1[C@@H]2NC(=O)Cn1nccn1 1064300863 KAYBTVJZXCBNTC-RIEGTJTDSA-N 309.333 -0.062 30 20 DBED CC(=O)N[C@H](C)C(=O)NC[C@H]1CN(C(=O)C#CC2CC2)CCO1 1065134653 KPDIHFVWJAPACQ-RISCZKNCSA-N 321.377 -0.732 30 20 DBED C=CCn1cc(C(=O)N2CCO[C@@H](CNC(=O)CC)C2)nn1 1065166034 ZNIXQUZEGSSRQU-NSHDSACASA-N 307.354 -0.169 30 20 DBED C[C@H](C#N)C(=O)N(C)CCCN(C)C(=O)[C@@H]1CN(C)CCO1 1067078495 BHBRPRWLHPAZHR-OLZOCXBDSA-N 310.398 -0.216 30 20 DBED C[C@@H](Nc1ncc(C#N)cc1F)[C@H]1CN(C(=O)C(N)=O)CCO1 1068243172 FYMWATIEWJEUQZ-LDYMZIIASA-N 321.312 -0.395 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)N1CC2(CN(C(C)=O)CCO2)C1 1068263650 WAXIJIZIWAQGAD-AWEZNQCLSA-N 323.393 -0.083 30 20 DBED Cn1nncc1C(=O)N[C@H]1C[C@H](CN=c2cc[nH]c(C#N)n2)C1 1068481395 MFNFUWMAIDTIET-MGCOHNPYSA-N 312.337 -0.481 30 20 DBED C=CC(C)(C)C(=O)NC[C@@H]1CCC2(CN(C(=O)C(N)=O)C2)O1 1068600295 FYDFEIJZHRHSBB-JTQLQIEISA-N 309.366 -0.440 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(C[C@@H](NC(=O)CSCC#N)CO2)C1 1068710690 ITSHTGULABOHTM-WDEREUQCSA-N 322.390 -0.111 30 20 DBED C=CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2cnnn2C)C1 1069919416 MYSMSTOFPIOHPL-YPMHNXCESA-N 316.369 -0.362 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2ocnc2C)C[C@@H]1n1ccnn1 1070167252 OLGGVHXKVBGNOP-NEPJUHHUSA-N 300.322 -0.137 30 20 DBED O=C(C#CC1CC1)NCC1(NC(=O)c2cnon2)CCOCC1 1070214694 KDDWNJQAEYKMRC-UHFFFAOYSA-N 318.333 -0.122 30 20 DBED C=CCN[C@@H]1CN(C(=O)c2csnn2)C[C@@H]1n1ccnn1 1070246429 XIKQPFYQPNBZSG-KOLCDFICSA-N 305.367 -0.029 30 20 DBED N#CCN1CC[C@H](c2n[nH]cc2CNC(=O)c2cnn[nH]2)C1 1070415883 GMIJOLVYCFLRLP-VIFPVBQESA-N 300.326 -0.229 30 20 DBED CN1CC[C@H](C(=O)N2C[C@@H]3C[C@@H]4CN(CC#N)C[C@]3(C2)O4)C1=O 1070839011 DSIQSIAAJOTCIF-RSUWNVLCSA-N 318.377 -0.710 30 20 DBED CCC(=O)NCC(=O)N[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1C 1072049755 WFNDJTIEEDZBOM-AAEUAGOBSA-N 305.378 -0.111 30 20 DBED C=CCOCC(=O)N[C@H]1CN(C(=O)CC(=O)N(C)C)C[C@@H]1C 1072124417 AFNLZIRLOQXVKW-RYUDHWBXSA-N 311.382 -0.370 30 20 DBED C=CCCC(=O)N[C@@H]1CN(C(=O)c2nnc(O)nc2O)C[C@H]1C 1072453925 QMGVOMOMJBFUDB-RKDXNWHRSA-N 321.337 -0.174 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CCN(C(=O)CCNC(N)=O)CC1(C)C 1073486503 CSGBVKUOVKWGQP-QWRGUYRKSA-N 323.397 -0.052 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)c2cnc3n2CCOC3)C1 1073647788 OLNSFHSQBVHWMC-CYBMUJFWSA-N 318.377 -0.133 30 20 DBED C[C@H](C#N)C(=O)N1CCC(O)(CNC(=O)c2nc[nH]n2)CC1 1074705699 XKCLWORSLXQUFQ-SECBINFHSA-N 306.326 -0.952 30 20 DBED C#CCOCCC(=O)NCC[C@H](C)NC(=O)[C@@H]1CCC(=O)N1 1076504974 AZVMWISOJRJZPK-RYUDHWBXSA-N 309.366 -0.684 30 20 DBED C=CCCN1C[C@@H]2CCN(C(=O)[C@H]3CCS(=O)(=O)N3)[C@@H]2C1 1076582517 ZUXRQSSTJJWQTC-YNEHKIRRSA-N 313.423 -0.213 30 20 DBED C#CCN1CCC(C(=O)NCC[C@H](C)NC(=O)CC(N)=O)CC1 1076915865 KPKZHKWVHMYLAO-LBPRGKRZSA-N 322.409 -0.782 30 20 DBED CC(=O)NCc1cccc(C(=O)N[C@@H]2CN(CC#N)C[C@H]2O)c1 1078200815 RXBARJWRJYEZAJ-HUUCEWRRSA-N 316.361 -0.379 30 20 DBED CN1CC[C@@H](NC[C@@H]2CN(C(=O)C#CC3CC3)CCCO2)C1=O 1078398802 UFCNGCIWRBBHDF-HUUCEWRRSA-N 319.405 -0.162 30 20 DBED C#CCN1C[C@@H](NC(=O)c2cn([C@H]3CCOC3)nn2)[C@H](C)C1 1080740833 YVINOOMJWRAGGR-FRRDWIJNSA-N 303.366 -0.077 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CO)(NC(=O)c2ccnnc2)CC1 1081023731 DSHPDJSHPSUJLC-LLVKDONJSA-N 317.349 -0.280 30 20 DBED COCCCC(=O)NC[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 1081303579 XZOJUEFKWSQKCP-KGLIPLIRSA-N 308.378 -0.238 30 20 DBED Cc1nc[nH]c1C(=O)N1C[C@@H](O)[C@H](CNC(=O)C#CC(C)C)C1 1081463235 KQOGEFBENNGYSN-CHWSQXEVSA-N 318.377 -0.073 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(C(=O)CC2(O)CCC2)C[C@@H]1O 1081470668 DJZCUPSDHBQUIU-KGLIPLIRSA-N 320.389 -0.360 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CCCN(C)C)C1 1081701093 PVQZIOQOCCQQFP-LSDHHAIUSA-N 323.437 -0.077 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(CCCO)C[C@H]2OC)nc1 1082333562 NVFQCFQYKNTYCB-HUUCEWRRSA-N 303.362 -0.126 30 20 DBED C=C(C)CN1C[C@@H](NC(=O)C[C@@H]2CC(=O)NC2=O)[C@H](OC)C1 1082401533 RUCVYPSOVINEHN-IJLUTSLNSA-N 309.366 -0.569 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2ccc(S(C)(=O)=O)o2)C1 1083828269 JWTNQDLTZQIQJC-ZJUUUORDSA-N 312.347 -0.909 30 20 DBED C[C@@H]1CC[C@H](NC(=O)CC(N)=O)CN1c1cnc(C#N)cn1 1089127759 SMNBMFQUCKMOLB-ZJUUUORDSA-N 302.338 -0.303 30 20 DBED Cc1cc(=O)c(C(=O)N[C@H]2CCN(CC#N)C[C@@H]2O)cn1C 1090341024 FVKICFDAPYPANM-JSGCOSHPSA-N 304.350 -0.618 30 20 DBED CCCOCC(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1O 1090380192 BOCSFFOHZDXXCH-GHMZBOCLSA-N 305.338 -0.559 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2c(C)nn(C)c2OC)[C@@H](O)C1 1090617915 YLILJRQYTORYMH-NEPJUHHUSA-N 306.366 -0.465 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2cn(CCC)nn2)[C@@H](O)C1 1090682804 MXHYDVJXTBEQPT-OCCSQVGLSA-N 305.382 -0.124 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cnn(CCOC)c2)[C@@H](O)C1 1090763429 IBKHHTLFAIEIFM-KBPBESRZSA-N 306.366 -0.672 30 20 DBED CC[C@@H](C)OCC(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1091090880 LRHQKHYFOJDIKQ-UTUOFQBUSA-N 319.365 -0.171 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(c2cc(C)ncn2)C[C@@H]1O 1091093271 VBVHEVZRLSFDQT-TYNCELHUSA-N 306.366 -0.222 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(c2ncc(F)cn2)C[C@@H]1O 1091118281 GPKDDCOWUYSWHQ-JLLWLGSASA-N 310.329 -0.128 30 20 DBED N#Cc1cncc(N[C@H]2C[C@@H](CNC(=O)Cn3cnnn3)C2)n1 1091311186 XCIIDIFCSFBCBB-AOOOYVTPSA-N 313.325 -0.658 30 20 DBED CC#CCN1C[C@@H]2CN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C[C@]2(C)C1 1092055820 WSSJZGHEAWLWMG-WQGACYEGSA-N 318.377 -0.612 30 20 DBED C[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1CNC(=O)CC(N)=O 1092357903 GQXMNMPCJXWBEM-NXEZZACHSA-N 302.338 -0.588 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)c3[nH]nnc3C)c3nccn32)C1 1092385924 ZILFHNKUSFXLKR-NSHDSACASA-N 311.349 -0.171 30 20 DBED CC[C@@H](C(=O)NCCN=c1cc[nH]c(C#N)n1)N1CCCC1=O 1093668427 SGMFVQCVUJCNRM-NSHDSACASA-N 316.365 -0.301 30 20 DBED Cc1cc(=NCCNC(=O)c2cn(C)c(O)n2)c(C#N)c[nH]1 1094091251 MQOBKSKFSBDVFK-UHFFFAOYSA-N 300.322 -0.035 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)c3cc(Cl)no3)CC2=O)C1 1094806448 PIAYPYBJVMNBDN-VIFPVBQESA-N 322.752 -0.024 30 20 DBED CN(CCCNC(=O)[C@H]1C[C@H]1C(N)=O)c1cnc(C#N)cn1 1095739496 RHXUZMNXFLKHHS-MNOVXSKESA-N 302.338 -0.588 30 20 DBED CCN(CCCNC(=O)CNC(N)=O)c1cnc(C#N)cn1 1095834498 YDINOURTULHLBE-UHFFFAOYSA-N 305.342 -0.651 30 20 DBED CCN(CCCNC(=O)Cn1ncnn1)c1ccnc(C#N)n1 1095925125 DOUWLRDCQDMTBD-UHFFFAOYSA-N 315.341 -0.632 30 20 DBED COC(=O)NCC(=O)N[C@H]1CCCN(c2ccc(C#N)nn2)C1 1096137371 BIDLBFXOBAZWAS-NSHDSACASA-N 318.337 -0.211 30 20 DBED CC(=O)N(C)CC(=O)N[C@@H]1CCN(c2cncc(C#N)n2)C1 1096329564 SFPSBCHXBLXOGB-LLVKDONJSA-N 302.338 -0.479 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@H]1CCN(c2ccc3nnnn3n2)C1 1096393403 MNUDLEBJAULQEH-QWRGUYRKSA-N 317.353 -0.195 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN1C(=O)NC(C)(C)C1=O 1096483305 NRJWMGSYFNWRAS-WOPDTQHZSA-N 318.377 -0.329 30 20 DBED C[C@@H](CC(N)=O)C(=O)N1CC[C@H](Nc2cncc(C#N)n2)C1 1096973950 XXVLMOSUPSUDPW-UWVGGRQHSA-N 302.338 -0.127 30 20 DBED COC(=O)NCC(=O)NCC[C@@H](C)N=c1cc[nH]c(C#N)n1 1098823874 KTKLSNJCEWSFLC-SECBINFHSA-N 306.326 -0.567 30 20 DBED C[C@@H](CCNC(=O)CN1CCOCC1)Nc1cnc(C#N)cn1 1099091274 JSRAAJFQVRAFPV-LBPRGKRZSA-N 318.381 -0.013 30 20 DBED C[C@@H](CCNC(=O)[C@@H]1CCC(=O)N1)Nc1ccc(C#N)nn1 1099361067 BTXGZTJZCQVYAJ-ONGXEEELSA-N 302.338 -0.066 30 20 DBED CCOCCN1CC[C@H](NC(=O)CSCC#N)[C@@H](O)C1 1099687531 WPFODQHLHHACEH-RYUDHWBXSA-N 301.412 -0.169 30 20 DBED C=C(C)CCN1CC[C@H](NC(=O)CCNC(=O)NC)[C@H](O)C1 1099814068 YYKLJZLQUHMFBU-QWHCGFSZSA-N 312.414 -0.177 30 20 DBED C=CCN1CC[C@H](NC(=O)C(C)(C)S(C)(=O)=O)[C@@H](O)C1 1100023247 ZLXQTMJEVTZLDJ-QWRGUYRKSA-N 304.412 -0.453 30 20 DBED CCN(C)CCC(=O)N[C@@H]1CCN(CC#CCOC)C[C@@H]1O 1100063702 BOTWKBUUHYEWGO-CABCVRRESA-N 311.426 -0.471 30 20 DBED CN(CCNC(=O)[C@@]1(C)CNC(=O)C1)c1cnc(C#N)cn1 1100246782 MUTUDBBCDXDDQJ-CQSZACIVSA-N 302.338 -0.573 30 20 DBED CCN1C[C@@H](C(=O)NCC2CC(NCC#CCOC)C2)CC1=O 1100378074 QXKFREOGBJTXQL-SLTAFYQDSA-N 321.421 -0.011 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 1100692033 MWOYLCACYQHNKJ-ODGNXRKOSA-N 319.405 -0.212 30 20 DBED CCCN(CCNC(=O)C1(C(N)=O)CC1)c1ccc(C#N)nn1 1101229795 GZOCHLFFCQQUEM-UHFFFAOYSA-N 316.365 -0.054 30 20 DBED C#CCNC(=O)CC(=O)NCCN(c1ncc(F)cn1)C1CC1 1101317696 MJGCCKMSEINLOL-UHFFFAOYSA-N 319.340 -0.160 30 20 DBED CN(C)CCC(=O)N1C[C@H]2CN(CC(=O)NCC#N)C[C@@]2(C)C1 1101351075 RUKFBUZENPUJCJ-CJNGLKHVSA-N 321.425 -0.642 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(Cc2nnn(C)n2)C[C@H]1C 1101817295 LBPATQZYIYFJFJ-VXGBXAGGSA-N 308.386 -0.403 30 20 DBED Cc1cc(CC(=O)N(C)CCN=c2cc[nH]c(C#N)n2)n(C)n1 1101866202 ZKZSBKRNPMBYDL-UHFFFAOYSA-N 313.365 -0.075 30 20 DBED C[C@@H]1CN(C)C[C@H](C(=O)N(C)CCN=c2cc[nH]cc2C#N)O1 1102019956 IRINIDJPCVNXFW-IUODEOHRSA-N 317.393 -0.035 30 20 DBED CCC(=O)NCC(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1C#N 1102538969 FALRDYUCLUNNQT-QWRGUYRKSA-N 314.349 -0.336 30 20 DBED N#Cc1cnc(N2CCC[C@H](CCNC(=O)C(N)=O)C2)cn1 1102942521 YCAQRXUZARWRLM-SNVBAGLBSA-N 302.338 -0.444 30 20 DBED C[C@H](CNC(=O)[C@@H]1COCCO1)CNc1cncc(C#N)n1 1103879267 AJZJFYPKIQJGSQ-JQWIXIFHSA-N 305.338 -0.072 30 20 DBED C[C@H](CN=c1cc[nH]cc1C#N)CNC(=O)[C@@H]1COCCN1C 1103923493 ZKZCFNNMJFXCIC-DOMZBBRYSA-N 317.393 -0.130 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(n2cc(CNCCOC)nn2)C1 1105240325 IHHCEWUTDSEDSU-GFCCVEGCSA-N 321.381 -0.564 30 20 DBED C=CCNCc1cn(C2CN(C(=O)c3cn(CC)nn3)C2)nn1 1105352105 PROGQQVAPKQOIO-UHFFFAOYSA-N 316.369 -0.138 30 20 DBED N#CCNCc1cn(C2CN(C(=O)CN3CCCC3)C2)nn1 1105372606 PJKAABZGDREZAK-UHFFFAOYSA-N 303.370 -0.630 30 20 DBED Cc1cc(=NC[C@@H](O)CNC(=O)[C@@H]2CCOC2)c(C#N)c[nH]1 1105737952 MGLZHYJBGBYLFU-DGCLKSJQSA-N 304.350 -0.391 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)Cc2ccon2)nn1 1105764124 XFQYGYAKWLHJME-LLVKDONJSA-N 302.294 -0.532 30 20 DBED Cn1cc(CC(=O)NC[C@@H](O)CN=c2cc[nH]cc2C#N)cn1 1105782169 IMPIKWLBBWPHEA-ZDUSSCGKSA-N 314.349 -0.760 30 20 DBED Cc1ccnc(C(=O)NC[C@@H](O)CN=c2cc[nH]cc2C#N)n1 1105804218 LTKPYXQRPHUUHZ-LBPRGKRZSA-N 312.333 -0.324 30 20 DBED C=CCO[C@@H](C)C(=O)NC[C@H](O)CN=c1cc[nH]cc1C#N 1105892496 YLOSPNHEKNOLLR-WCQYABFASA-N 304.350 -0.145 30 20 DBED Cc1cc(=NC[C@@H](O)CNC(=O)c2c[nH]nc2C)c(C#N)c[nH]1 1106062400 HDDTZMNMMFEMJQ-GFCCVEGCSA-N 314.349 -0.082 30 20 DBED C[C@H]1CCCN1CC(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1 1106109162 VHAZHUNNJJWMPT-RYUDHWBXSA-N 318.381 -0.857 30 20 DBED CCC(=O)N[C@H](C)C(=O)NC[C@H](O)CN=c1cc[nH]cc1C#N 1106140827 PQUUKHJPGFUXHP-ZYHUDNBSSA-N 319.365 -0.821 30 20 DBED C[C@H](CCNc1ccc(C#N)nn1)NC(=O)C1CS(=O)(=O)C1 1106459781 YTVBDIPXARUJMS-SECBINFHSA-N 323.378 -0.300 30 20 DBED C#CCNC[C@@H]1CN(C(=O)[C@H]2COCCN2C(C)=O)C[C@H]1C 1107002716 NDZVOOYZEKRUKG-BPLDGKMQSA-N 307.394 -0.449 30 20 DBED C=C[C@](C)(O)CC(=O)NC/C=C/CNc1ccc2nnnn2n1 1107148012 AKNLKKOKFYKYAN-NNTXTVRGSA-N 317.353 -0.069 30 20 DBED N#Cc1c[nH]ccc1=NC/C=C/CNC(=O)[C@H]1COC(=O)N1 1107174798 AYXRKQLKQMLEGO-YYRQZUAOSA-N 301.306 -0.432 30 20 DBED C[C@]1(C(=O)NC/C=C\CNc2cncc(C#N)n2)CCNC1=O 1107508317 CUZSUXFKYMVETD-MPNWYJEXSA-N 314.349 -0.041 30 20 DBED C#CCN1CC[C@@]2(CNC(=O)CN3CC(=O)NC3=O)CCC[C@@H]12 1107582031 SGAWJADWLNNRAH-MLGOLLRUSA-N 318.377 -0.468 30 20 DBED C#CCNC(=O)CN1CCO[C@](C)(CNC(=O)C(C)(C)F)C1 1107683591 PXVLYESPJZUHTJ-OAHLLOKOSA-N 313.373 -0.309 30 20 DBED C[C@@H](O)CN1CCO[C@](C)(CNC(=O)CSCC#N)C1 1107754156 RUDWTODQHVWPTG-DGCLKSJQSA-N 301.412 -0.169 30 20 DBED C=CCN1CCO[C@](C)(CNC(=O)CN(C)S(C)(=O)=O)C1 1107979313 CRBGYCNAYWXHFD-CYBMUJFWSA-N 319.427 -0.729 30 20 DBED C#CCCN1CCO[C@@](C)(CNC(=O)[C@@H]2CCC(=O)N2C)C1 1108136471 RHESBUPDJQOLDT-BBRMVZONSA-N 307.394 -0.162 30 20 DBED C[C@H](CN(C)c1ccnc(C#N)n1)NC(=O)C(=O)NCC1CC1 1109060941 RLPCHOJYESJGKO-SNVBAGLBSA-N 316.365 -0.185 30 20 DBED N#Cc1nccc(NC2(CNC(=O)[C@H]3COCCO3)CC2)n1 1110058687 SRWOVINGGTYKKC-SNVBAGLBSA-N 303.322 -0.176 30 20 DBED N#Cc1nccc(NC2(CNC(=O)[C@H]3CC[C@H]3C(N)=O)CC2)n1 1110299963 LJZQXFKFPGTLHS-ZJUUUORDSA-N 314.349 -0.080 30 20 DBED CCO[C@@H](C)C(=O)N(C)[C@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1111174527 OXERSIBFYCXFPU-DRZSPHRISA-N 319.365 -0.219 30 20 DBED N#Cc1cnc(NCCN(CCO)C(=O)CCCC(N)=O)cn1 1111485559 AKDJQLPZVOCANS-UHFFFAOYSA-N 320.353 -0.763 30 20 DBED CCOCC(=O)N[C@]12CCC[C@H]1CN(CC(=O)NCC#N)C2 1111574706 PCEBOEAWGWZIGN-WFASDCNBSA-N 308.382 -0.367 30 20 DBED N#CCSCC(=O)N1CCN(C[C@@H](O)Cn2cccn2)CC1 1112629942 ICVDSCZQLIZWBO-CYBMUJFWSA-N 323.422 -0.355 30 20 DBED C[C@H](NC(=O)CN1CCOCC1)[C@H](C)Nc1cncc(C#N)n1 1112971168 MXNKOVRPAJLULF-RYUDHWBXSA-N 318.381 -0.014 30 20 DBED CCNC(=O)CCC(=O)N[C@@H](C)[C@H](C)N=c1cc[nH]c(C#N)n1 1112998017 BHJCMYPMYOGOCJ-QWRGUYRKSA-N 318.381 -0.008 30 20 DBED C[C@H](CNC(=O)CN1CCOCC1)N(C)c1cnc(C#N)cn1 1113558557 PHDCMIYZVRHWTD-GFCCVEGCSA-N 318.381 -0.379 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)[C@@H]2CC23CCOCC3)CC1 1113742390 YZPUELAHVAYJNN-ZDUSSCGKSA-N 320.393 -0.413 30 20 DBED C[C@@H](CNC(=O)[C@H]1CN(C)C(=O)N1)N(C)c1ncccc1C#N 1113802864 WLFFIIANTBEJKW-CMPLNLGQSA-N 316.365 -0.082 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)[C@@H](C)n3cccn3)[C@@H]2C1 1113894121 RGVOQXZVJRGYNB-JHJVBQTASA-N 317.393 -0.207 30 20 DBED CSC[C@H](C)C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1114041223 IFBNWCHPDYYBJG-MEWQQHAOSA-N 310.423 -0.328 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@H]3CCCN3C)[C@H]2C1 1114057329 KMBCNWDVWWAWSN-COMQUAJESA-N 306.410 -0.571 30 20 DBED C=CCOCCN1C[C@H]2[C@H](NC(=O)[C@H]3CN(C)C(=O)N3)[C@H]2C1 1114671805 JZZICAXCIFZFQT-XQHKEYJVSA-N 308.382 -0.741 30 20 DBED C#CCCN1C[C@@H]2C(NC(=O)C(C)(C)NS(C)(=O)=O)[C@H]2C1 1114941839 GZLQOGFFMRNSMP-QWRGUYRKSA-N 313.423 -0.616 30 20 DBED C[C@H](CN(C)C(=O)CN1CCCC1=O)N=c1cc[nH]c(C#N)n1 1115605200 AINPAXHLQOXMED-LLVKDONJSA-N 316.365 -0.349 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CCC[C@H]2C[C@H](C)O)nn1 1118115899 KQBPUGQDIDUIDJ-AAEUAGOBSA-N 321.381 -0.158 30 20 DBED C=CCn1cc(CNC(=O)CCCCCS(N)(=O)=O)nn1 1118259001 JJCMWRXANZJHMV-UHFFFAOYSA-N 315.399 -0.071 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCOCC2)CCN1C1CC1 1119136167 BCAISQCLFNRSDZ-TZMCWYRMSA-N 320.393 -0.130 30 20 DBED C[C@@H](CN(C)C(=O)[C@H]1C[C@H]1C(N)=O)Nc1cnc(C#N)cn1 1120705838 GVCDGXJQYGNGFW-GDPRMGEGSA-N 302.338 -0.272 30 20 DBED Cc1nc[nH]c1C(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1 1121724628 RWYWAWMHPLBIMH-VIFPVBQESA-N 301.310 -0.996 30 20 DBED Cc1cc(C#N)nc(N[C@@H](CO)CNC(=O)[C@@]2(C)CCOC2)n1 1121914379 NUZUAGNOCKGSDH-DOMZBBRYSA-N 319.365 -0.028 30 20 DBED COCCO[C@@H](C)C(=O)NC[C@@H](CO)Nc1cnc(C#N)cn1 1122013675 UHWPBYFSSDCDHO-JQWIXIFHSA-N 323.353 -0.711 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)C[C@@H]2CCNC2=O)nc1 1122192327 XPOXGWBGOGDKNE-NWDGAFQWSA-N 317.349 -0.632 30 20 DBED COc1nc(C(=O)NC[C@H](CO)Nc2ccc(C#N)nn2)co1 1122285380 AKLUZNFMXHOKLK-SECBINFHSA-N 318.293 -0.452 30 20 DBED CN(C)CCC(=O)NC[C@@H](CO)Nc1ncc(C#N)cc1F 1122542212 FGOIUNWCCSTNGK-NSHDSACASA-N 309.345 -0.067 30 20 DBED CCc1n[nH]cc1C(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1 1122829212 KMBNVVXAMIBNJH-SECBINFHSA-N 315.337 -0.742 30 20 DBED C[C@H]1C[C@H](Nc2nccnc2C#N)CN1C(=O)CCNC(N)=O 1123230255 HKSQPKMWDAVVNU-UWVGGRQHSA-N 317.353 -0.192 30 20 DBED C#CCCCC(=O)N(C)C[C@@H](O)CN=c1cc[nH]c(C#N)n1 1124278979 SCEPPPQHLFBZIK-LBPRGKRZSA-N 301.350 -0.195 30 20 DBED C#CCCCCC(=O)NCCNCCNS(=O)(=O)CC 1125945494 NDTXEIVIKPHBMQ-UHFFFAOYSA-N 303.428 -0.175 30 20 DBED C[C@@H]1CN(C(=O)CNCCNC(=O)c2c[nH]c(C#N)c2)CCO1 1125994654 INGUVBBNZCGWAP-LLVKDONJSA-N 319.365 -0.547 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)CCOCCOC)C1 1129482386 VKLRSHXUBWNWPX-KGLIPLIRSA-N 323.397 -0.141 30 20 DBED CC[C@H](OC)C(=O)NCc1nc([C@@H]2COCCN2CC#N)n[nH]1 1130835768 QZTBIRRJJXILOS-QWRGUYRKSA-N 322.369 -0.257 30 20 DBED C#CCN1CCOC[C@H]1c1n[nH]c(CNC(=O)COCCC)n1 1130836065 WUTGFSKFTXKWLB-LBPRGKRZSA-N 321.381 -0.146 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)[C@H]1CCCN(C(C)=O)C1 1131016391 FODBZLOEUZJTEG-JSGCOSHPSA-N 324.425 -0.359 30 20 DBED C#CCCCC(=O)N1CCC(=O)NCCN(CCCO)CC1 1131357471 YQFDCSXWFSPDEI-UHFFFAOYSA-N 309.410 -0.177 30 20 DBED C=CCNC(=O)CN1C[C@H](NC(=O)Cn2nccn2)CC[C@H]1C 1132060830 LQOTWZVSROAJKW-CHWSQXEVSA-N 320.397 -0.451 30 20 DBED C=C(C)CN(CC)C(=O)CN1C[C@@H](NC(=O)C(N)=O)CC[C@H]1C 1132253441 UFMBBOCMBCYIMX-OLZOCXBDSA-N 324.425 -0.135 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)c2cnn[nH]2)CC[C@H]1C 1132942085 WHIWEPLUMXYEGG-VXGBXAGGSA-N 318.381 -0.758 30 20 DBED C=CCn1cc(C(=O)NCCNCC(=O)N[C@H](C)C2CC2)nn1 1134973546 WOTHNLDLSCAFGL-LLVKDONJSA-N 320.397 -0.302 30 20 DBED C#CCNC(=O)CNCCNC(=O)C[C@@H]1CCCCN1C(C)=O 1135199751 HZDXOKAHVUJBSX-AWEZNQCLSA-N 322.409 -0.767 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@H](C)c1c(C)n[nH]c1C 1135432701 OJPJOGZQZQKQPI-SNVBAGLBSA-N 305.382 -0.415 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1cnn2c1CCCC2 1146777518 ZOYLDVCBFRLGDB-UHFFFAOYSA-N 305.382 -0.159 30 20 DBED CC#CCN1CCC2(C1)CN(C(=O)CCCS(N)(=O)=O)C2 1148188576 NJNIWFQWEVHWPZ-UHFFFAOYSA-N 313.423 -0.387 30 20 DBED CC1(C)C[C@H]1C(=O)NC[C@H]1CN(CC(=O)NCC#N)CCCO1 1149541704 SQUJYUZCTAKHGW-STQMWFEESA-N 322.409 -0.121 30 20 DBED COCCC1(NC(=O)c2cnn(C)n2)CCN(CC#N)CC1 1151357209 SPIQXHAWBATEQQ-UHFFFAOYSA-N 306.370 -0.060 30 20 DBED C=CCN(CC=C)C(=O)CNCCCNC(=O)CNC(C)=O 1154188144 RXBLLHBNQSRRKD-UHFFFAOYSA-N 310.398 -0.581 30 20 DBED CC#CCN(CC)[C@H](C)CNC(=O)CCCS(N)(=O)=O 1154963340 GDMQGBNGBZJUGM-GFCCVEGCSA-N 303.428 -0.095 30 20 DBED C#CCCCCC(=O)NCCCNCCNS(C)(=O)=O 1156828080 VRJPLHAZNOWYRD-UHFFFAOYSA-N 303.428 -0.175 30 20 DBED C#CCNC(=O)CC(=O)NCCCNCc1noc(C(C)C)n1 1156852454 FBNOQHNMNBMSAC-UHFFFAOYSA-N 321.381 -0.072 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1cnc2[nH]ncc2c1 1160685131 ZIAUUDJSMSDBKA-UHFFFAOYSA-N 314.349 -0.583 30 20 DBED Cc1cn(C(C)(C)C(=O)NCCCNCC(=O)NCC#N)cn1 1160820582 NNFAFDJFMVGOSX-UHFFFAOYSA-N 320.397 -0.338 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@@H]1CCNC(=O)CC1 1163297513 OKPFAMBVERQCCD-LBPRGKRZSA-N 310.398 -0.699 30 20 DBED N#CCNC(=O)CNCCCNC(=O)[C@H]1CCc2nc[nH]c2C1 1170432025 PXZNIUDABIGFLY-NSHDSACASA-N 318.381 -0.750 30 20 DBED C#CCNC(=O)CN1CCO[C@H]2CCN(C(=O)C(F)F)C[C@H]21 1176870406 GANSTUDKDRVIFO-MNOVXSKESA-N 315.320 -0.697 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)C(=O)NCC3CC3)C[C@H]21 1177125877 UHVWIJMCPMKKIK-KGLIPLIRSA-N 305.378 -0.553 30 20 DBED CC(C)(C)C(=O)N1CC[C@H]2OCCN(CC(=O)NCC#N)[C@H]2C1 1177133253 ZFWFGDXDQXYJET-QWHCGFSZSA-N 322.409 -0.026 30 20 DBED CC#CCN1CCO[C@@H]2CCN(C(=O)COCCN(C)C)C[C@@H]21 1177138177 JQWFNJBRLPRFIO-JKSUJKDBSA-N 323.437 -0.110 30 20 DBED C#CCC1(C(=O)N2CC[C@@H](NCC(=O)NC)C2)CCOCC1 1183200806 WSYQRGWVWLVUMK-CYBMUJFWSA-N 307.394 -0.257 30 20 DBED C#CCNC[C@@H]1CCN(C(=O)Cn2ccc(O)nc2=O)C[C@H]1C 1184747820 PDUYIVZTNNFZRY-OLZOCXBDSA-N 318.377 -0.344 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)CCc2cnn(C)n2)C1 1185689998 QCQLMINWZGFOFP-CYBMUJFWSA-N 320.397 -0.760 30 20 DBED C=C(Cl)CN[C@@H]1CCN(C(=O)[C@H](C)NS(C)(=O)=O)C1 1185905763 ZIMBMPJDKXTTIM-VHSXEESVSA-N 309.819 -0.133 30 20 DBED C#CCCN[C@@H]1CCCO[C@H]1C1CCN(C(=O)C(N)=O)CC1 1186134430 BXGFZIFRSJFNFG-KGLIPLIRSA-N 307.394 -0.129 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H](NC(C)=O)C(C)C)C1 1187252672 HUYKUIJRVJWFCH-UKRRQHHQSA-N 322.409 -0.913 30 20 DBED COCC#CCN1C[C@@H]2CCN(C(=O)[C@H]3CN(C)C(=O)N3)[C@@H]2C1 1188776650 AWSCPAWLBRIXSN-BFHYXJOUSA-N 320.393 -0.808 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1 1189355745 UMUJSJUVGREPPO-VXGBXAGGSA-N 308.382 -0.900 30 20 DBED C#CCN(C)[C@H]1CCN(C(=O)CCCn2c(O)nnc2O)C1 1191053386 XYFNXVFEXDBHBX-NSHDSACASA-N 307.354 -0.365 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(CC(=O)NCC(C)C)C[C@H]1O 1192511235 YHSYKCJGRMAREX-ZIAGYGMSSA-N 309.410 -0.277 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2ccns2)C[C@H]1O 1192892199 VEHRFAZFZLUGIE-CHWSQXEVSA-N 309.391 -0.156 30 20 DBED CC(=O)CCCC(=O)N1CCCN(CC(=O)NCC#N)CC1 1194829520 AWPHVAOBRSQEFV-UHFFFAOYSA-N 308.382 -0.080 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CN(CCOCC)C[C@H]2O)nn1 1196764090 BTUUPDXCANATGV-DGCLKSJQSA-N 309.370 -0.725 30 20 DBED C[C@H](NC(=O)CC1CCCC1)C(=O)N[C@@H]1CN(CC#N)C[C@H]1O 1196926196 TZWKVQRJBUTSOU-IACUBPJLSA-N 322.409 -0.244 30 20 DBED C#CCN[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)c1ccccc1OC 1198875837 KECHSPGXFPMILC-STQMWFEESA-N 316.361 -0.243 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@H]1CN(C(=O)C2CC2)CCCO1 1199672737 NJZPKUVUYSMKHR-JSGCOSHPSA-N 307.394 -0.259 30 20 DBED N#CCNC(=O)CNC1CCN(C(=O)[C@@H]2CC2(F)F)CC1 1200390319 VNVHYYNZWKKHNC-JTQLQIEISA-N 300.309 -0.138 30 20 DBED CC(=O)N1CCC[C@H](C(=O)N2CCCO[C@@H](CNCC#N)C2)C1 1200913372 YDAUHBUQTDKFQX-GJZGRUSLSA-N 322.409 -0.024 30 20 DBED C#CCCN[C@@H]1C[C@H](NC(=O)CN2CC(=O)NC2=O)C12CCC2 1203507456 QZZQSHPSBNRURO-NEPJUHHUSA-N 318.377 -0.422 30 20 DBED CC#CCNCC1CCN(C(=O)C2CC(=O)NC(=O)C2)CC1 1206576435 SNUGHFKUDNOCSI-UHFFFAOYSA-N 305.378 -0.109 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCCN(C(=O)C2=COCCO2)C1 1207152519 ZCMDUJIPZIDBAV-OLZOCXBDSA-N 321.377 -0.407 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)CN(C)C(C)=O)C1 1207429756 FHKOBTHYKOOVNJ-ZDUSSCGKSA-N 310.398 -0.653 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)[C@@]2(C)CNC(=O)C2)C1 1208688834 XHAXUUIHSIEZKO-BLLLJJGKSA-N 322.409 -0.605 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)CC(=O)N(C)C)[C@H](C)C1 1209283412 PUTGRWAFYPRNNZ-JHJVBQTASA-N 324.425 -0.408 30 20 DBED C=CCN[C@H]1CCCN(C(=O)[C@H](CCC(N)=O)NC(C)=O)C1 1210155025 PYCZFEIAGGCGHV-STQMWFEESA-N 310.398 -0.477 30 20 DBED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)C(C)(C)C1CC1 1213314816 MLADKBLUFOYVKC-CHWSQXEVSA-N 322.409 -0.122 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)CCNC(=O)c1ccco1 1213825504 SJHLPLMJPDSRJY-DGCLKSJQSA-N 320.349 -0.262 30 20 DBED Cc1cc(C(=O)N2C[C@@H](NCC(=O)NCC#N)[C@H](C)C2)cnn1 1214508882 BNYAOPRTZICGHW-ZWNOBZJWSA-N 316.365 -0.525 30 20 DBED C=CCCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2cnon2)C[C@@H]1O 1219324469 QPOQODHFJBQBJS-UHTWSYAYSA-N 310.354 -0.288 30 20 DBED Cc1cc(C)n(CCN2C[C@H](O)[C@H](NC(=O)[C@@H](C)C#N)C2)n1 1219381088 HZTDPDXEPSKWES-GDLCADMTSA-N 305.382 -0.179 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(CC[C@H]2CCOC2)C[C@@H]1O 1219609440 RDMPVFZEZKQMSX-ZNMIVQPWSA-N 310.394 -0.386 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](NC(=O)CCNS(C)(=O)=O)C1 1219734957 MSAYIVHBBWZYBJ-NEPJUHHUSA-N 319.427 -0.947 30 20 DBED C#CCC1(C(=O)N[C@@H]2CN(Cc3ncnn3C)C[C@@H]2O)CCC1 1219784130 PPPVWTPHBAFING-OLZOCXBDSA-N 317.393 -0.330 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2[nH]c(C)cc2C)C1 1219879203 FKZSRQMTFCGQPE-OLZOCXBDSA-N 320.393 -0.291 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)c2c[nH]nc2CC)C1 1219930207 WGEGFWHNBVEXNL-KGLIPLIRSA-N 308.382 -0.050 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)C[C@@H](C)NC(=O)C2CCCC2)C1 1221185433 LOKAITNTKLNNNS-YUELXQCFSA-N 321.421 -0.134 30 20 DBED COCC#CCN1CC[C@@H]2CN(C(=O)Cn3cncn3)[C@@H]2C1 1222000618 POIKKUBYZOLFOM-ZIAGYGMSSA-N 303.366 -0.539 30 20 DBED C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CCO[C@@H](C#N)C1 1257058658 BWCJBRCHUADURH-OLZOCXBDSA-N 308.382 -0.272 30 20 DBED C#CCOCCC(=O)N[C@H]1CCN(CCCS(C)(=O)=O)C1 1267723409 BLHAFEKQVQFLNB-ZDUSSCGKSA-N 316.423 -0.349 30 20 DBED C[C@@H](CN1CCOCC1)NC(=O)C(=O)Nc1cnn(CC#N)c1 1319554402 SZPGUHUSDPRGSF-NSHDSACASA-N 320.353 -0.818 30 20 DBED C=CCS(=O)(=O)CCNC(=O)c1c([N+](=O)[O-])cnn1C 1320143084 OFWHYTGIALCLST-UHFFFAOYSA-N 302.312 -0.341 30 20 DBED C#CCNC(=O)C1CCN(C(=O)NCCC(=O)N(C)C)CC1 1322755154 HZIMBHIIICJLMX-UHFFFAOYSA-N 308.382 -0.364 30 20 DBED C[C@H](NC(=O)C(=O)N1CCC[C@](C)(C#N)C1)[C@H]1CN(C)CCO1 1324279559 CPQFUFFXJCOJAR-WOSRLPQWSA-N 322.409 -0.026 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N(CCO)CCCC)nn1 1325949023 XQDBGTVTXITHLF-UHFFFAOYSA-N 309.370 -0.299 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)N[C@H]2CCC[C@H]2CCO)C1 1326109620 AOZLFFBCEUEWAS-HUBLWGQQSA-N 309.366 -0.469 30 20 DBED C=C[C@H](CO)NC(=O)NCCS(=O)(=O)C1CCOCC1 1327553967 XBCHJLITJTWMEC-SNVBAGLBSA-N 306.384 -0.574 30 20 DBED C=CCn1cc(CNC(=O)C(=O)NC2CCN(C)CC2)nn1 1329200563 VEBMHTMXVKSHSS-UHFFFAOYSA-N 306.370 -0.709 30 20 DBED C=CCCC[C@H](C)NC(=O)C(=O)N1C[C@H]2C(=O)N(C)C(=O)[C@H]2C1 1330164507 XSOOVAZAXHZUQX-SDDRHHMPSA-N 321.377 -0.079 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N(CCOC)C1CCOCC1 1330733621 VHDHEKANHACBHI-GFCCVEGCSA-N 314.382 -0.042 30 20 DBED N#CCOc1ccc(CNC(=O)C(=O)N[C@@H]2CCNC2)cc1 1331588156 FYALVDDXENAMIU-GFCCVEGCSA-N 302.334 -0.317 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](CN)C2)CCN1C1CC1 1332117622 XDMRCAZHYYNYCX-TZMCWYRMSA-N 319.409 -0.618 30 20 DBED C=CCn1c(COCCOC)nnc1N1CC[C@H](C(N)=O)C1 1332229160 SLJAZBHXWDSXRI-NSHDSACASA-N 309.370 -0.061 30 20 DBED CO[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1 1332478620 XFRCNVHGIWEPPZ-KWCYVHTRSA-N 320.393 -0.131 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CC[C@H](OCC)C1 1333544022 IEWJPYNVVABGCD-NSHDSACASA-N 318.395 -0.659 30 20 DBED C#CCOCCc1nc(-c2cn(CCO)c(=O)nc2O)no1 1334085975 UFEAELUXKCQLCG-UHFFFAOYSA-N 306.278 -0.817 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CC[C@H]2NC(=O)CC[C@@H]2C1 1334157798 UXICKEGKNCPTPH-IJLUTSLNSA-N 309.366 -0.569 30 20 DBED COc1cc(C#N)ccc1NC(=O)C(=O)NCCc1nc[nH]n1 1338037321 KWHJBVPXHQVLAM-UHFFFAOYSA-N 314.305 -0.018 30 20 DBED C#CCNCC(=O)N1CCN(c2ccc(OCC)nn2)CC1 1340786997 UYODDUAFJOKOIS-UHFFFAOYSA-N 303.366 -0.253 30 20 DBED C[C@@H](NC(=O)C(=O)N1CCC(C#N)CC1)[C@@H]1CN(C)CCO1 1343131409 PEKOYQRUBWNTSQ-YPMHNXCESA-N 308.382 -0.416 30 20 DBED COCCN1CCN(C(=O)C(=O)NCC2(CC#N)CC2)CC1=O 1343810460 QFGNRHZOTPTKDB-UHFFFAOYSA-N 322.365 -0.886 30 20 DBED C#CCNC(=O)CCNC1CCN([C@H]2CCN(C)C2=O)CC1 1346339388 LPKRHFZMOHNSPK-AWEZNQCLSA-N 306.410 -0.589 30 20 DBED C[C@H](CS(C)(=O)=O)NC(=O)C(=O)N1CCC[C@@H](CC#N)C1 1350752013 XYBOZYRSRLYNDC-MNOVXSKESA-N 315.395 -0.312 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)NCCCNC2CC2)CCN1C1CC1 1353049137 SCVISILTRLPCFR-AWEZNQCLSA-N 319.409 -0.557 30 20 DBED N#Cc1cnn2c(O)cc(CN3CC[C@@H](O)[C@H](CO)C3)nc12 1365309833 GLUJEBQFNPAEDP-CMPLNLGQSA-N 303.322 -0.518 30 20 DBED C[C@H](C#N)C(=O)N(C)C[C@@H]1CCCN1C(=O)Cn1cnnn1 1369595638 NNBREBBITYEJBH-MNOVXSKESA-N 305.342 -0.718 30 20 DBED C=C(Cl)CN1CCN(CCNC(=O)Cn2ncnn2)CC1 1369892198 FOBMJEZVUXGWOW-UHFFFAOYSA-N 313.793 -0.841 30 20 DBED C=C(Cl)CNC[C@H](O)CNC(=O)[C@H]1CCCN1C(C)=O 1374679256 ZFJPMPKGOYZLQM-NWDGAFQWSA-N 303.790 -0.184 30 20 DBED CC[C@@H](C(=O)N1CCN(CCNC(=O)[C@@H](C)C#N)CC1)N(C)C 1385535757 HBBHTKLKAMMGAJ-KBPBESRZSA-N 323.441 -0.253 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCN(C)C(=O)C[C@@H]1CCN(C)C1=O 1389007106 LRTURYQYTYUHGZ-RYUDHWBXSA-N 308.382 -0.069 30 20 DBED C[C@H](C#N)C(=O)NCCC1CCN(C(=O)Cn2cnnn2)CC1 1399197269 ARRFJXSIBVRVBZ-LLVKDONJSA-N 319.369 -0.422 30 20 DBED C[C@H](C#N)C(=O)NCCN1CCN(C(=O)C[C@H]2CCOC2)CC1 1407445003 CYDOOJWKANCEPH-ZIAGYGMSSA-N 322.409 -0.167 30 20 DBED COCCn1nccc1C(=O)N(C)CCNC(=O)[C@H](C)C#N 1408673617 BXCDOVDDZAFRHO-LLVKDONJSA-N 307.354 -0.123 30 20 DBED CCCN(CCNC(=O)[C@H](C)C#N)C(=O)CCNC(=O)NC 1408885049 FQTWJIFEZXMVTG-LLVKDONJSA-N 311.386 -0.180 30 20 DBED C[C@@H](C#N)C(=O)N(C)C[C@@H]1CCN(C(=O)CNC(=O)C2CC2)C1 1408986888 MPWKPUJUURETHG-RYUDHWBXSA-N 320.393 -0.021 30 20 DBED C[C@@]1(CNC(=O)Cn2cc(C#N)c(O)nc2=O)CCCC[C@@H]1O 1411857621 ODIPKTXIIISOLH-NHYWBVRUSA-N 320.349 -0.122 30 20 DBED CCOC(=O)[C@@H](C[C@@H]1CCCO1)NC(=O)Cn1cnc(C#N)n1 1412577978 UOUZIYWMUXWTHO-WDEREUQCSA-N 321.337 -0.233 30 20 DBED Cc1nnc(O)c(CNc2[nH]c(=O)n(C)c(=O)c2C#N)c1C 1412873411 XHWOKLKGLHJHBB-UHFFFAOYSA-N 302.294 -0.330 30 20 DBED CN(Cc1cnn(C)c1)C(=O)CCn1cc(C#N)c(O)nc1=O 1417602007 IWOSUHCGQKPPCB-UHFFFAOYSA-N 316.321 -0.397 30 20 DBED N#Cc1cccc([C@H](O)CN2C[C@H](C(N)=O)[C@@H](C(N)=O)C2)c1 1422056374 YFGCCMAVTKIQHJ-RWMBFGLXSA-N 302.334 -0.890 30 20 DBED Cc1ccc(C(=O)N(C)C[C@H](O)CNC(=O)[C@H](C)C#N)c(O)n1 1425881556 NIFRPSBXWFKIFT-MWLCHTKSSA-N 320.349 -0.196 30 20 DBED C[C@H](CNC(=O)c1cccc(C(N)=O)n1)NC(=O)[C@H](C)C#N 1428675883 NHLJNXSPEGXHHC-RKDXNWHRSA-N 303.322 -0.425 30 20 DBED CNC(=O)NCC(=O)N1CC[C@](C)(CNC(=O)[C@@H](C)C#N)C1 1434239224 GBSBHJQNSSZDBD-IINYFYTJSA-N 309.370 -0.570 30 20 DBED C[C@@H](CC(N)=O)C(=O)N(C)CCN(C)C(=O)c1cc(C#N)c[nH]1 1452124383 MQKPTSGUNRDHIK-JTQLQIEISA-N 319.365 -0.072 30 20 DBED CN1CCC[C@H](N(C)C(=O)CCn2cc(C#N)c(O)nc2=O)C1 1465547675 ZZCNFJRKEFHQAR-LBPRGKRZSA-N 319.365 -0.237 30 20 DBED CCN(CCC#N)C(=O)CN(C)CCNC(=O)c1ccn(C)n1 1480946070 IMOXIZRNZYJAME-UHFFFAOYSA-N 320.397 -0.156 30 20 DBED CNC(=O)NC(=O)CNC[C@H]1CC[C@H](NC(=O)[C@H](C)C#N)CC1 1484565550 ZUXLDFCDZSRCKX-IJLUTSLNSA-N 323.397 -0.134 30 20 DBED C#CCNC(=O)CNC[C@H]1CCCN1C(=O)c1nccn1CC 1495554041 SWECUDOKHZUMGQ-CYBMUJFWSA-N 317.393 -0.153 30 20 DBED C#Cc1ccc(NC(=O)C(=O)NCCN2CC[C@@H](O)C2)cc1 1516409577 HRBLEYGXOHKKNB-CQSZACIVSA-N 301.346 -0.211 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H](C)CCNC(=O)CN(C)C(C)=O 1570454105 STEVJIDVDFSGDS-NWDGAFQWSA-N 310.398 -0.913 30 20 DBED Cc1cc(C(=O)O)nc(N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)n1 1571154099 UPTVGWRNVRBANL-TVQRCGJNSA-N 322.346 -0.142 30 20 DBED CCNC(=O)CCC(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[nH]1 1578233868 WBKCUIVIHCFFGS-UHFFFAOYSA-N 303.286 -0.684 30 20 DBED N#Cc1nc(N2CCC3=C(CCC(=O)N3)C2)cnc1-c1nn[nH]n1 1581879586 QGCYPHKDEHPKMP-UHFFFAOYSA-N 323.320 -0.097 30 20 DBED C#CC1CCN(C(=O)C(=O)N2CCC([C@@H](O)C(=O)O)CC2)CC1 1588383068 NDUBBEIHCBWPDB-CYBMUJFWSA-N 322.361 -0.458 30 20 DBED C#CCN(CC(=O)O)C(=O)c1coc(S(=O)(=O)NC)c1 1588418954 XREFAIIBKAJQSK-UHFFFAOYSA-N 300.292 -0.652 30 20 DBED N#CCNC(=O)CNC(=O)c1ccc(F)c(-c2nn[nH]n2)c1 1592677517 FUWCUYFZMPJGED-UHFFFAOYSA-N 303.257 -0.625 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@@H](C)/C=C\C(=O)O 1599235938 YJHHIFLQGLHFGB-LWTINBJPSA-N 305.356 -0.288 30 20 DBED Cn1nncc1CNS(=O)(=O)c1ccc(C#N)cc1C(=O)O 1601043125 OLTCIYRRAHNAIB-UHFFFAOYSA-N 321.318 -0.137 30 20 DBED C#CCN(CC(=O)O)C(=O)C(=O)Nc1cc[nH]c1C(=O)OCC 1602679314 NRUAGYKWRUDHNM-UHFFFAOYSA-N 321.289 -0.324 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1602840745 DSULWZKXWRXYKT-VXGBXAGGSA-N 317.353 -0.454 30 20 DBED C#C[C@H]1COCCN1S(=O)(=O)c1cccnc1-c1nn[nH]n1 1609020022 ORDWACPLTMVUJJ-VIFPVBQESA-N 320.334 -0.716 30 20 DBED C#C[C@H](NS(=O)(=O)N1CCC(C(=O)O)CC1)[C@@H]1CCCO1 1609057903 JCJKYOKDJXJGQD-RYUDHWBXSA-N 316.379 -0.202 30 20 DBED N#CCNC(=O)CNS(=O)(=O)c1ccsc1C(=O)O 1610622900 LVEJNTUYGZEIII-UHFFFAOYSA-N 303.321 -0.636 30 20 DBED Cc1cnn(C)c1C(=O)N[C@@H]1CCCN(CC(=O)NCC#N)C1 1713061912 NRIYPCUHWLLUTL-GFCCVEGCSA-N 318.381 -0.438 30 20 DBED C#CCCNC[C@@H]1CCCN(C(=O)CN2CCNC(=O)C2)C1 1752805762 WYMQWGDWTVDGMY-AWEZNQCLSA-N 306.410 -0.730 30 20 DBED CC#CCNC[C@H]1CCCN(C(=O)C2CC(=O)NC(=O)C2)C1 1752808658 HIBSIWQRWAUZFH-GFCCVEGCSA-N 305.378 -0.109 30 20 DBED CCN(CCNC(=O)c1cncnc1C)CC(=O)NCC#N 1753079080 ZJMYDBKJENYJCA-UHFFFAOYSA-N 304.354 -0.524 30 20 DBED C=CCNC(=O)NC(=O)CN1CCC[C@@H]1CNC(=O)[C@@H](C)C#N 1753097266 MSROQHDBWWEHNC-NWDGAFQWSA-N 321.381 -0.262 30 20 DBED C=CCNC(=O)CNCCN(C)C(=O)[C@H]1CCc2n[nH]cc2C1 1753253985 ITZDJXDXAIKALU-LBPRGKRZSA-N 319.409 -0.135 30 20 DBED COCC(=O)NC[C@@H](NCC(=O)NCC#N)c1ccccc1 1753295001 ZZOIDRRTIDOZLJ-CYBMUJFWSA-N 304.350 -0.280 30 20 DBED C#CCN[C@H](CNC(=O)CS(=O)(=O)NC)c1ccccc1 1753303236 ULDDJBYMOPXNAH-CYBMUJFWSA-N 309.391 -0.384 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@H]1CNC(=O)CC1(O)CCC1 1754483624 LLKGCEGGRZNHQD-STQMWFEESA-N 307.394 -0.380 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@H]1CNC(=O)c1c(C)ncn1C 1754486182 JZBBGCDURNQHQM-STQMWFEESA-N 317.393 -0.329 30 20 DBED Cc1ncncc1C(=O)N[C@@]1(C)CCN(CC(=O)NCC#N)C1 1754665826 UMHANYNVZCPCHJ-HNNXBMFYSA-N 316.365 -0.381 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC[C@H]2CN(CCOCCO)C[C@H]21 1754872774 KFWBXTKWEDRUTH-HRCADAONSA-N 324.421 -0.044 30 20 DBED CC#CCN1C[C@H]2[C@H](CNC(=O)COCc3nncn3C)[C@H]2C1 1755434332 QZBOSSQMPTUKEK-ZSOGYDGISA-N 317.393 -0.351 30 20 DBED C=CCN[C@H](CO)CNC(=O)[C@H]1CNC(=O)c2ccccc21 1755630996 VJUSOTZLDCAXOK-FZMZJTMJSA-N 303.362 -0.234 30 20 DBED C#CCN(CCNC(=O)c1ccc(C(N)=O)cn1)CCOC 1755841334 GBBIIQNUAWISAS-UHFFFAOYSA-N 304.350 -0.508 30 20 DBED C=CCOCC(=O)NCC1[C@H]2CN(C(=O)C3(C(N)=O)CC3)C[C@H]12 1756194092 ACWOFEOFNGUSQM-VXGBXAGGSA-N 321.377 -0.725 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H]1C[C@H](NC(=O)c2cn[nH]c2)C1 1756244570 LPXNLMSDYCGCHU-UMSPYCQHSA-N 317.349 -0.826 30 20 DBED CCc1cc(C(=O)N[C@H](CO)CNC(=O)C#CC2CC2)no1 1756519015 ACSIXBWDSXFLNG-NSHDSACASA-N 305.334 -0.143 30 20 DBED O=C(C#CC1CC1)NC[C@@H](CO)NC(=O)[C@H]1CCCOCC1 1756519535 KBFXZJUBXSWPQP-KBPBESRZSA-N 308.378 -0.190 30 20 DBED N#CCSCC(=O)N[C@H](CO)CNC(=O)Cc1ccc[nH]1 1756526778 YGHNMQZVVUZIRR-NSHDSACASA-N 310.379 -0.593 30 20 DBED C=C[C@](C)(O)CC(=O)N(C)C[C@@H](O)CNC(=O)Cc1ncc[nH]1 1756661304 WMQSQPHKJWMUEL-NHYWBVRUSA-N 324.381 -0.785 30 20 DBED C=CCCC(=O)N[C@H](C)C[C@H](C)NC(=O)Cn1ncn(C)c1=O 1756816337 YGUBAZCJLQJPCI-NEPJUHHUSA-N 323.397 -0.053 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(C(=O)CC2OCCCO2)C[C@H]1O 1756993768 NNOLTLDOBYQLOA-CHWSQXEVSA-N 324.377 -0.513 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(C(=O)[C@H]2CCCOC2)C[C@@H]1O 1757171296 NLDUUHVQSMFEEN-MJBXVCDLSA-N 308.378 -0.240 30 20 DBED C#CCCC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)NC=O)C2)C1 1781253096 RAWJEPPLWZRPCJ-XJKSGUPXSA-N 321.377 -0.636 30 20 DBED C=CCC(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CNC(=O)C3)C2)C1 1783166592 LZLZCODUXPQYSU-MLGOLLRUSA-N 321.377 -0.472 30 20 DBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CCC1 1795021885 AKIXSPKYSXXAIY-JJLQDPRZSA-N 320.345 -0.536 30 20 DBED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](CC)NC)CCO2 1835918010 OBWZEJGQNOMEJM-XJKSGUPXSA-N 323.393 -0.926 30 20 DBED C#CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CCN1C(=O)C=CC1=O 1847951380 SVCAJEVHSDBVSD-RYUDHWBXSA-N 315.329 -0.864 30 20 DBED COC(=O)[C@H]1C[C@@H](O)CN1S(=O)(=O)c1cccc(C#N)c1 157085016 XDOHKYIODUBOEC-ZYHUDNBSSA-N 310.331 -0.145 30 20 DBED N#Cc1ccc(S(=O)(=O)NCCN2C(=O)CCC2=O)cc1 264984417 AUEZEJFPERGEKX-UHFFFAOYSA-N 307.331 -0.014 30 20 DBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)NC1CC1 268058371 CDNDPSUJTKPTAI-JTQLQIEISA-N 314.349 -0.336 30 20 DBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)CC(N)=O 268777660 SEXULFFUPLPQTQ-SECBINFHSA-N 324.362 -0.831 30 20 DBED C[C@H](C#N)CN(C)C(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cnn(C)c1 279668418 ZOTKNBBAAMHUJQ-DDTOSNHZSA-N 319.365 -0.064 30 20 DBED C=CCn1c(C)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 283514718 NDAHMSPJYPIUEZ-UHFFFAOYSA-N 318.381 -0.300 30 20 DBED C[C@]1(O)CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 290512931 XKZRURBXIGOBDX-AWEZNQCLSA-N 323.374 -0.180 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)[C@H](CO)NC(=O)C(C)C)C1=O 291684164 NMXLMJOBJOTFRD-RYUDHWBXSA-N 311.382 -0.635 30 20 DBED N#Cc1ccc(S(=O)(=O)N[C@@H](CCO)C(=O)O)cc1F 291892469 OZXNNRAVTFNVCJ-JTQLQIEISA-N 302.283 -0.189 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N(C)[C@H](C)CN1CCOCC1 330373676 BLLSJOCITKIZFO-CHWSQXEVSA-N 318.443 -0.025 30 20 DBED COC(=O)CN1CCN([C@@H](C)C(=O)N/C(O)=N/C(C)C)CC1 330673885 FNLICFQZPLHGKX-NSHDSACASA-N 314.386 -0.396 30 20 DBED CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)CC2(C#N)CC2)C1 331576988 ZITXDLITZARPTE-VIFPVBQESA-N 307.397 -0.757 30 20 DBED C=CC[C@@H](CO)CNC(=O)NCCC(=O)N1CCN(C)CC1 341865070 DXNAJRLNLWIEHG-CYBMUJFWSA-N 312.414 -0.366 30 20 DBED C=CCOC[C@@H]1NC(=O)N(c2cc(C)n(CC(=O)NC)n2)C1=O 348474021 OJLLDLJTYIDRJI-JTQLQIEISA-N 321.337 -0.435 30 20 DBED C=CCOCc1nc(CC(=O)NCCN2CCOCC2)no1 350685171 KGOHKYKGDNXBEU-UHFFFAOYSA-N 310.354 -0.237 30 20 DBED N#CCNC(=O)CNC(=O)C(=O)N1CCc2c(Cl)cccc21 357287097 ITIMSJZSEKPGKG-UHFFFAOYSA-N 320.736 -0.015 30 20 DBED CC[C@@H]1CN(C(=O)NCC(=O)NCC#N)C[C@@H](C)S1(=O)=O 362110472 DBAHDOZMDZLLFV-NXEZZACHSA-N 316.383 -0.767 30 20 DBED COCCNC(=O)CNC(=O)C(=O)Nc1cccc(C#N)c1C 431828400 PNJIGGAGJPWISZ-UHFFFAOYSA-N 318.333 -0.316 30 20 DBED N#Cc1ccc(S(=O)(=O)N2CC[C@@H](S(N)(=O)=O)C2)s1 435437593 LKYLQOGZAODLHH-MRVPVSSYSA-N 321.405 -0.329 30 20 DBED COC(=O)[C@H]1CNC(=O)CN1S(=O)(=O)c1cccc(C#N)c1 447931284 ONDYKRMQHWPRKG-LLVKDONJSA-N 323.330 -0.780 30 20 DBED COC(=O)N1C[C@H]2C=C[C@H]1[C@H](C(=O)NCC(=O)NCC#N)C2 496065510 XORHYOFOMPKTBT-AXFHLTTASA-N 306.322 -0.615 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)NCCN1CCC(O)CC1 563434707 OPHRIAFZZOGCRN-LBPRGKRZSA-N 318.443 -0.241 30 20 DBED CNS(=O)(=O)NC1CCN(C(=O)[C@]2(C#N)C[C@@H]2C)CC1 579847053 SRAMBMURIATICM-CABZTGNLSA-N 300.384 -0.419 30 20 DBED CC(=O)N[C@H]1CCN(C(=O)C(=O)Nc2cc(C)c(C#N)cn2)C1 594303157 AGSOAJNVGOWMAH-LBPRGKRZSA-N 315.333 -0.063 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1CC[C@H](C(=O)O)C1 594680702 MSNBLNXLQKMRNB-JTQLQIEISA-N 305.356 -0.500 30 20 DBED C=CCCSCCNC(=O)C(=O)N1CCO[C@H]([C@H](C)N)C1 595284988 YWDXXNOZYCPREE-RYUDHWBXSA-N 315.439 -0.014 30 20 DBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC/C=C/CO 597992786 NRZHZCHMNGGRAJ-VUDBWIFFSA-N 323.374 -0.110 30 20 DBED COCCOCCN(CCO)S(=O)(=O)N(C)[C@@H](C)CC#N 599394370 VPVFYYMIFDYGKI-LBPRGKRZSA-N 323.415 -0.578 30 20 DBED CC(C)[C@@H]1CNCCN1C(=O)C(=O)N1CCN(CCC#N)CC1 601584163 SJLUINNWUGUBNX-AWEZNQCLSA-N 321.425 -0.499 30 20 DBED CC#CCNCc1cn(CC(=O)N[C@H](C(=O)OC)C(C)C)nn1 603234336 GPFYQCUIILWGIT-AWEZNQCLSA-N 321.381 -0.295 30 20 DBED C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)O[C@@H](C#N)C1CC1 756296453 WFGSGOXCIGWYSS-KWQFWETISA-N 312.351 -0.068 30 20 DBED O=C(O)Cn1cc(C=NNS(=O)(=O)Cc2ccccc2)nn1 768483622 PWLNZFAHUATMHV-UHFFFAOYSA-N 323.334 -0.184 30 20 DBED C=CCS(=O)(=O)NC(=O)c1coc(S(=O)(=O)N(C)C)c1 772717900 VOGFFWGIYVRDLA-UHFFFAOYSA-N 322.364 -0.225 30 20 DBED C#C[C@@H](NC(=O)NCCn1cc(C(=O)OC)nn1)[C@H]1CCCO1 790833287 BYHMKUWMARLUES-ZYHUDNBSSA-N 321.337 -0.455 30 20 DBED COC[C@H](NC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)C(N)=O 791671427 MNEWMPMRYCWIEP-STQMWFEESA-N 300.318 -0.143 30 20 DBED C#C[C@@H](NC(=O)N1CCC(S(N)(=O)=O)CC1)[C@H]1CCCO1 799976497 YMWHQHQAEOORAZ-VXGBXAGGSA-N 315.395 -0.370 30 20 DBED C#CCCCNC(=O)C(=O)N1CC[C@@H](S(=O)(=O)NCC)C1 806913285 WIQLHRFMSJQFKW-LLVKDONJSA-N 315.395 -0.944 30 20 DBED C#CCNC(=O)CCN1CCN(CC(=O)NCCCC)CC1 815010853 QBXPWQYVYAKKJR-UHFFFAOYSA-N 308.426 -0.340 30 20 DBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CC[C@H]1O 819683936 ICSCZOACDVMXBZ-NXEZZACHSA-N 309.347 -0.635 30 20 DBED N#Cc1ccc(F)c(C(=O)N2CCN(S(N)(=O)=O)CC2)c1 825369363 ATIUWUAOOLORSM-UHFFFAOYSA-N 312.326 -0.341 30 20 DBED CC(C)[C@H](C#N)N1CCN(C(=O)CN(CC#N)CC(=O)O)CC1 833467501 WRPLXWQTLWDUBD-ZDUSSCGKSA-N 321.381 -0.411 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N1CC[C@H](N2CCOC2=O)C1 849438977 YKUQFPJUMMNHBA-MNOVXSKESA-N 316.383 -0.151 30 20 DBED C#CCCOC(=O)N(CC)CC(=O)N[C@H]1CCS(=O)(=O)C1 858880197 ZJNMCGLAHDDUPJ-NSHDSACASA-N 316.379 -0.229 30 20 DBED CS(=O)(=O)N1CCC[C@H](C(=O)OCC(=O)NCCC#N)C1 860040678 PJUBUALAGXQOMR-JTQLQIEISA-N 317.367 -0.769 30 20 DBED C#CC[C@@H](NC(=O)[C@H](CCSC)NC(N)=O)C(=O)OC 861951404 XPGHLTKRECASJZ-DTWKUNHWSA-N 301.368 -0.543 30 20 DBED NC(=O)Cn1cc(C=NNC[C@H]2COc3ccccc3O2)nn1 863198541 KQBKSCBTAJGPBQ-NSHDSACASA-N 316.321 -0.473 30 20 DBED C=CCNC(=O)c1ccc(NC(=O)CN2CCNC(=O)C2)cc1 900289642 XDLJSDHBKAXFTP-UHFFFAOYSA-N 316.361 -0.027 30 20 DBED N#Cc1ncn(CCNC(=O)CN2CSCCSC2)n1 908159198 FCKIKOKVDIVOFE-UHFFFAOYSA-N 312.424 -0.037 30 20 DBED C#CC[C@@H](CO)NC(=O)NCCN1C(=O)c2ccccc2C1=O 914330197 MZNUXHZCNADJGU-NSHDSACASA-N 315.329 -0.034 30 20 DBED C#CC[C@H](CO)NC(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O 920631927 OPSQCHCBLCCDFL-NEPJUHHUSA-N 319.365 -0.401 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CCCCN(C(=O)C(N)=O)C2)cn1 943402671 DHPRISVQSFWMLE-CYBMUJFWSA-N 314.345 -0.341 30 20 DBED O=C1N[C@@H](C(=O)NC[C@H]2CCCN2C(=O)C#CC2CC2)CO1 944007256 BDRDGCNLXCDEPV-VXGBXAGGSA-N 305.334 -0.385 30 20 DBED CCn1ncc(C(=O)NC[C@@H]2CN(C(=O)[C@H](C)C#N)CCO2)n1 944577683 HGCIHSYKPHLASL-GHMZBOCLSA-N 320.353 -0.585 30 20 DBED N#Cc1cc(C(=O)NC[C@H]2CCC[C@H]2NC(=O)C(N)=O)c[nH]1 946293617 QDNUJZHGBOQPAS-LDYMZIIASA-N 303.322 -0.614 30 20 DBED CN(C(=O)C(F)F)[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1O 958372884 DWHIDYLHWXVUQG-UWVGGRQHSA-N 312.276 -0.205 30 20 DBED N#Cc1c[nH]c(C(=O)NC2[C@@H]3CN([C@@H]4CCCNC4=O)C[C@@H]23)c1 958501172 XELYJNWJAGJRRF-NQBHXWOUSA-N 313.361 -0.175 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cn(CC3CC3)nn2)C1 958524582 AMZNBJIZHJJUHQ-GXTWGEPZSA-N 303.366 -0.656 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2cn(CC3CC3)nn2)C1 958524584 AMZNBJIZHJJUHQ-OCCSQVGLSA-N 303.366 -0.656 30 20 DBED CC#CCN1C[C@H](O)[C@H](CNC(=O)c2cc(C(N)=O)ccn2)C1 958774538 ZKEAFIYBWCAROJ-OCCSQVGLSA-N 316.361 -0.774 30 20 DBED CC(C)(O)CC(=O)N1C[C@H](O)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 962328038 AVQLYKNUZOLATC-NEPJUHHUSA-N 320.349 -0.651 30 20 DBED C=CCN1CC[C@@H](NCC2CC(NC(=O)c3nc[nH]n3)C2)C1=O 962436046 VPJAYOXILOJTJI-HTAVTVPLSA-N 318.381 -0.310 30 20 DBED O=C(NC[C@@H]1COCCN1C(=O)C#CC1CC1)[C@H]1CCCO1 964077777 GJTDGANRCJMLMA-ZIAGYGMSSA-N 306.362 -0.078 30 20 DBED C[C@H](C#N)C(=O)N1CCOC2(CN(C(=O)Cn3cccn3)C2)C1 965473614 OCXQBAKJBMBCBF-GFCCVEGCSA-N 317.349 -0.517 30 20 DBED C=CCN1CC[C@@H](N[C@@H]2CCN(C(=O)[C@H]3CCC(=O)N3)C2)C1=O 967767705 MWAOFPUWTDJGJN-JHJVBQTASA-N 320.393 -0.758 30 20 DBED C=C1CC(C)(C(=O)N2C[C@H](O)[C@H](NC(=O)c3nc[nH]n3)C2)C1 969743074 LQYYLDINKACDGQ-ZJUUUORDSA-N 305.338 -0.538 30 20 DBED C[C@@]1(C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2O)CCCOC1 970117968 UUJVSCGZDMQDSK-JKIFEVAISA-N 320.389 -0.096 30 20 DBED C#CCCN1CCO[C@]2(CCN(C(=O)[C@H]3CCN(C)C3=O)C2)C1 972506679 OBDXPFZUNXYOCZ-WMLDXEAASA-N 319.405 -0.209 30 20 DBED Cn1cncc1CC(=O)N1CC[C@@]2(CN(CC#N)CCO2)C1 972637905 FONXDYNQPDNUKG-OAHLLOKOSA-N 303.366 -0.211 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2[C@@H]3CN([C@@H]4CCNC4=O)C[C@H]23)cn1 979020277 QKRBRVHYTOMPMW-LVQVYYBASA-N 324.384 -0.141 30 20 DBED C#CCN1CCCC2(C1)CN(C(=O)[C@@H]1CCS(=O)(=O)C1)C2 981878308 PRIGQHNNLKAWGV-CYBMUJFWSA-N 310.419 -0.021 30 20 DBED C=CCN1CC[C@@H](NC[C@H]2C[C@H](NC(=O)c3cnon3)C2)C1=O 984943389 WSYGLWHDHOIPLC-IJLUTSLNSA-N 319.365 -0.046 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)C(F)F)[C@@H](O)C2)[nH]1 991152285 AHTLBYYRWZDYJR-SCZZXKLOSA-N 312.276 -0.157 30 20 DBED C=CCn1cc(C(=O)NC2CN(C(=O)[C@@H]3CCCCO3)C2)nn1 991674429 XLUWLQQYCXCTTR-ZDUSSCGKSA-N 319.365 -0.026 30 20 DBED C#CCN[C@@H]1CCC[C@@H]2CN(C(=O)Cn3ncn(C)c3=O)C[C@@H]21 992739785 LCEQBPWCLKMEGT-HZSPNIEDSA-N 317.393 -0.568 30 20 DBED CC1(C)CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)[C@@H]1COC(=O)N1 1008100185 MZIFINWUNIJRCF-NWDGAFQWSA-N 319.361 -0.139 30 20 DBED O=C(C#CC1CC1)N1CCN(C(=O)CO[C@@H]2CCOC2)CC1 1011109776 YYLKNOUYUZJARY-CQSZACIVSA-N 306.362 -0.124 30 20 DBED CC(C)N1CCO[C@@H](C(=O)N2CCN(C(=O)[C@H](C)C#N)CC2)C1 1012144254 ZCYNFNNJIWSZOD-ZIAGYGMSSA-N 322.409 -0.074 30 20 DBED C=CCN1CC[C@@H](N[C@H]2C[C@@H](NC(=O)Cn3ccnc3)C2)C1=O 1023161202 RWZOOHIFFPOCIO-HZSPNIEDSA-N 317.393 -0.093 30 20 DBED C=C(Br)CN1CC(NC(=O)[C@H]2CCNC2=O)C1 1030788337 SPRZVJCXHVYJAF-VIFPVBQESA-N 302.172 -0.169 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)[C@@H]2CCCCS2(=O)=O)C1 1035391163 FQXDXXSHIMYFDR-STQMWFEESA-N 314.407 -0.596 30 20 DBED CC(C)N1C[C@H](C(=O)NC[C@@H]2CN(CC#N)CCO2)CC1=O 1035392804 WSXGKVPTPQNMCB-CHWSQXEVSA-N 308.382 -0.416 30 20 DBED Cn1nnc(CN2C[C@H]3C[C@H]2[C@@H]3NC(=O)c2cc(C#N)c[nH]2)n1 1037354853 VSAKTOWCCYANAS-SUZMYJTESA-N 312.337 -0.587 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@]1(O)CCN(C(=O)CCOC)C1 1039721342 JWLUORHRCKVVFV-SWLSCSKDSA-N 312.366 -0.859 30 20 DBED C#CCOCCC(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2CC23CC3)C1 1039722221 TVTNKQFTGNOUIN-SUMWQHHRSA-N 320.389 -0.094 30 20 DBED Cc1ccnn1CC(=O)NC[C@@]1(O)CCN(C(=O)[C@H](C)C#N)C1 1039743304 QCVJRAPALZKWSF-ABAIWWIYSA-N 319.365 -0.569 30 20 DBED N#Cc1cncc(NC[C@@H]2C[C@H]3CC[C@H]2N(C(=O)C(N)=O)C3)n1 1040021147 XWBIJGQLCSRJGB-JFGNBEQYSA-N 314.349 -0.127 30 20 DBED C=CCCC(=O)N1CC[C@@](O)(CNC(=O)Cc2nonc2C)C1 1040779462 YJSINCDJRLPFGD-OAHLLOKOSA-N 322.365 -0.034 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)Cc2cnc[nH]2)C1 1041035733 LQTQLBFRWUGQLY-IINYFYTJSA-N 305.338 -0.809 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)CCc2cnn(C)n2)C1 1041963518 RGVNBTQHYWGCRO-UHFFFAOYSA-N 321.381 -0.597 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)[C@H]2CCCCO2)C1 1042039582 CRSJGXPIVXGTMB-GFCCVEGCSA-N 312.366 -0.552 30 20 DBED C#CCNC(=O)CC(=O)NCC1(O)CN(C(=O)C[C@H](C)CC)C1 1042672661 WEMLIHYRZROYAH-GFCCVEGCSA-N 323.393 -0.748 30 20 DBED CNC(=O)CCCC(=O)N1CC(O)(CNC(=O)C#CC(C)C)C1 1042936443 IRBRAGOQUWLRIP-UHFFFAOYSA-N 323.393 -0.748 30 20 DBED CO[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1NC(=O)c1cnn[nH]1 1043025660 ZEUPFKMLASEVHI-GHMZBOCLSA-N 314.309 -0.900 30 20 DBED C=CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)[C@@H]2CC2(F)F)C1 1043569832 DFAGMULWBLBZMN-UWVGGRQHSA-N 318.320 -0.078 30 20 DBED N#Cc1cccnc1N1C[C@H](O)[C@H](NC(=O)[C@@H]2COCCO2)C1 1043861051 JFTQUUBCEAEMIQ-AGIUHOORSA-N 318.333 -0.966 30 20 DBED C=CCN1CC[C@@H](N2CC(N(C)C(=O)c3nc[nH]n3)C2)C1=O 1044070710 PAYLNYGESYKRPF-LLVKDONJSA-N 304.354 -0.652 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)[C@@H]2CCO[C@H]2C2CC2)C1 1044606137 FDJASENSFQWQDE-UHTWSYAYSA-N 321.377 -0.349 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)CCc2nccn2C)C1 1044658834 YUKPEFRYQXRCCN-LLVKDONJSA-N 319.365 -0.798 30 20 DBED CC[C@H](C(=O)N1CC(O)(CNC(=O)[C@H](C)C#N)C1)N(CC)CC 1045551408 IOJRXPXXIMWBAH-CHWSQXEVSA-N 324.425 -0.044 30 20 DBED C[C@@H](CC(=O)N1CC(O)(CNC(=O)[C@H](C)C#N)C1)n1ccnc1 1045555028 NCZYIGVZQRKNFY-NEPJUHHUSA-N 319.365 -0.317 30 20 DBED N#CCN1[C@H]2CC[C@H]1CN(C(=O)C1CC(=O)NC(=O)C1)CC2 1045865702 YHERCNKNSSKQQG-RYUDHWBXSA-N 304.350 -0.372 30 20 DBED Cc1ccnn1CC(=O)N1CCN([C@@H]2CCN(CC#N)C2)CC1 1046070256 NNSQKTOZWPLSCV-OAHLLOKOSA-N 316.409 -0.066 30 20 DBED C[C@@H]1CCO[C@@H]1C(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1046778303 ZSTXJAVXIIOSQR-RISCZKNCSA-N 306.362 -0.486 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2COCCO2)C1 1048327710 RQTKWYDUCMJPHO-MELADBBJSA-N 324.377 -0.765 30 20 DBED Cc1nonc1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)C#N)C1 1049409158 ZGLVGVUXNLHMFC-JEZHCXPESA-N 307.310 -0.819 30 20 DBED C=CCN1CC[C@@H](N2CCC3(CC2)CN(C(=O)C(N)=O)C3)C1=O 1050642967 OZVAZEYHAPBTGU-GFCCVEGCSA-N 320.393 -0.817 30 20 DBED COc1c[nH]c(C(=O)NC[C@H]2COCCN2CC#N)cc1=O 1051028453 PDJOPUPSFNDQSA-JTQLQIEISA-N 306.322 -0.662 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)c1c(O)nnc(C)c1C 1051057909 OIHNTAQEXFRSKJ-GFCCVEGCSA-N 304.350 -0.137 30 20 DBED Cn1cnc2c(C(=O)NC[C@H]3COCCN3CC#N)ccnc21 1051102134 IUFGIYUQYJDVGK-NSHDSACASA-N 314.349 -0.078 30 20 DBED Cc1nnc2n1C[C@@H](C(=O)NC[C@H]1COCCN1CC#N)CC2 1051258352 MZLRMTOCVQECAK-STQMWFEESA-N 318.381 -0.511 30 20 DBED N#Cc1ccccc1CNC[C@H]1CN(C(=O)CC(N)=O)CCO1 1051505809 SPXSZJLYCFIWNO-AWEZNQCLSA-N 316.361 -0.249 30 20 DBED N#Cc1ccc(CNC[C@H]2CN(C(=O)C(N)=O)CCO2)cc1F 1051794440 NDUARYGJHJLHGD-LBPRGKRZSA-N 320.324 -0.500 30 20 DBED N#Cc1c[nH]ccc1=NC1CC(CNC(=O)[C@H]2CCC(=O)N2)C1 1051872972 CMPBZAGBQHETDE-MMWSSPAHSA-N 313.361 -0.040 30 20 DBED CC#CCN1CCN([C@@H]2CCN(C(=O)[C@@H]3COCCO3)C2)CC1 1051989007 BJVJONDQPNJKGA-CVEARBPZSA-N 321.421 -0.356 30 20 DBED C#CCN1CC2(C1)CN(C(=O)c1ccnc(OC)n1)CCO2 1053336254 SRMJCTGLDPYMDS-UHFFFAOYSA-N 302.334 -0.355 30 20 DBED C#CCN1CC2(C1)CN(C(=O)[C@@H](C)[C@@H]1CCC(=O)N1)CCO2 1053442510 JOOVLSQNTUBKJN-STQMWFEESA-N 305.378 -0.553 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)c1c[nH]c(C(N)=O)c1)CCO2 1053531606 SSFOCIYPPURLJB-UHFFFAOYSA-N 316.361 -0.336 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)c3cnnn3CC)CO2)C1 1053795853 YIIFGXRBSOMGMG-GFCCVEGCSA-N 303.366 -0.106 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)[C@@H]3CN4CCC3CC4)CO2)C1 1053803615 WTGGAVWKMNWFMH-HUUCEWRRSA-N 303.406 -0.079 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)C[C@H]3CCC(=O)NC3)CO2)C1 1053828401 STKWBTZXUJBVHD-OLZOCXBDSA-N 305.378 -0.505 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)[C@H]3CCCCC(=O)N3)CO2)C1 1053921649 KKOMCMAJORFREG-NWDGAFQWSA-N 306.366 -0.472 30 20 DBED COCC(=O)N[C@]1(CO)CCCN(C(=O)c2ccc(C#N)[nH]2)C1 1055704905 CFBDBZUDMLQMLK-OAHLLOKOSA-N 320.349 -0.384 30 20 DBED N#Cc1cncc(N2C[C@H]3C(NC(=O)CN4CCCC4)[C@@H]3C2)n1 1056226049 RGQIOPFHEQIUSR-CHWSQXEVSA-N 312.377 -0.005 30 20 DBED N#Cc1nccnc1N1C[C@@H]2C(NC(=O)Cn3ccnc3)[C@H]2C1 1056246641 SFPCKXWQMRXTPI-QWRGUYRKSA-N 309.333 -0.204 30 20 DBED CN(c1nccnc1C#N)[C@@H]1CCN(C(=O)c2nnn(C)n2)C1 1057001569 BUQSLFRPHVSWPS-SECBINFHSA-N 313.325 -0.777 30 20 DBED N#Cc1ccc(NC2CCN(C(=O)[C@H]3CCNC3=O)CC2)nn1 1057399085 RMIRDPHKOQWPMX-LBPRGKRZSA-N 314.349 -0.113 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)CCc1cnc[nH]1 1057901081 FYASDCDMTOODIW-NSHDSACASA-N 307.354 -0.561 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)[C@H](C)c1cncnc1 1058663461 TYTUFVNINZYAOR-VXGBXAGGSA-N 319.365 -0.323 30 20 DBED C[C@]1(C(=O)N[C@H]2C[C@H](Nc3ccc(C#N)nn3)C2)CCNC1=O 1059410251 UWVDKMZJWDLNDM-PGUXBMHVSA-N 314.349 -0.066 30 20 DBED Cn1nnc(C(=O)NCC[C@@H]2CCN(C(=O)C#CC3CC3)C2)n1 1059623791 BCAZALSGMMFONE-GFCCVEGCSA-N 316.365 -0.408 30 20 DBED N#Cc1cnc(NC[C@@H]2CCN(C(=O)Cn3ncnn3)C2)cn1 1060928407 WRGJJAVCEAKFLO-JTQLQIEISA-N 313.325 -0.705 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 1060952786 IVIRZIWCVIVTJW-WCQYABFASA-N 313.361 -0.228 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCOC[C@@H]1CNC(=O)c1ccon1 1061349282 BWQBOJUNGPVHRP-NHYWBVRUSA-N 323.349 -0.041 30 20 DBED C=CCOCC(=O)N1CCOC[C@@H]1CNC(=O)c1cocn1 1061420107 UVGLQSADOJMVRV-NSHDSACASA-N 309.322 -0.166 30 20 DBED C=CCCC(=O)N1CCOC[C@@H]1CNC(=O)CCCC(N)=O 1061684620 RKENDCOSUFDKCB-LBPRGKRZSA-N 311.382 -0.048 30 20 DBED N#Cc1cnc(N2[C@H]3CC[C@H]2CN(C(=O)Cn2cncn2)C3)cn1 1061966026 HMAWJLOIAQNKMP-STQMWFEESA-N 324.348 -0.180 30 20 DBED C=CCOCC(=O)N1CCO[C@@H](CNC(=O)c2ccncn2)C1 1064972424 WXJWMGXSOBNSGA-LBPRGKRZSA-N 320.349 -0.364 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCO[C@H](CNC(=O)c2nc[nH]n2)C1 1065096622 ILSLOGMRZYHVQS-QMTHXVAHSA-N 323.353 -0.911 30 20 DBED Cc1nccn1CC(=O)N1CCO[C@@H](CNC(=O)[C@H](C)C#N)C1 1065171374 GUYJXQSHCRBNOI-YPMHNXCESA-N 319.365 -0.305 30 20 DBED CCCC(=O)NCC(=O)NC[C@@H]1CN(C(=O)[C@@H](C)C#N)CCO1 1065557200 ODMURGSTZIYDCU-NWDGAFQWSA-N 324.381 -0.594 30 20 DBED N#Cc1cnc(N2CCOC[C@@H]2CNC(=O)[C@H]2CCOC2)cn1 1066469323 ASTOSKZEIIYBNI-AAEUAGOBSA-N 317.349 -0.294 30 20 DBED N#Cc1cncc(N2CCOC[C@@H]2CNC(=O)c2cocn2)n1 1066469568 FAKFWZWBONPRBS-NSHDSACASA-N 314.305 -0.029 30 20 DBED COCC(=O)N1CCC[C@@](CO)(Nc2cnc(C#N)cn2)C1 1066879733 NTWWDNQJGUOQQE-CQSZACIVSA-N 305.338 -0.240 30 20 DBED C=CCCC(=O)N(C)CCCN(C)C(=O)C[C@@H]1NC(=O)NC1=O 1066988569 RYZWLOMFAWGKHW-NSHDSACASA-N 324.381 -0.142 30 20 DBED C[C@H](CC(=O)N(C)CCCN(C)C(=O)[C@H](C)C#N)NC(N)=O 1067434532 QCWDEXIYFVIELF-GHMZBOCLSA-N 311.386 -0.100 30 20 DBED N#Cc1nccnc1N1CC[C@@]2(NC(=O)C(N)=O)CCC[C@@H]12 1069282632 PBYNQFRQNDEHMG-YGRLFVJLSA-N 300.322 -0.549 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)Cc2cc[nH]n2)CCOCC1 1070231083 MNDQINWZKXEINT-LLVKDONJSA-N 319.365 -0.107 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCCN(C(=O)CNC(C)=O)C1 1070371236 ILQXDOWVJBONKD-CYBMUJFWSA-N 309.366 -0.730 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CCCN(C(=O)CNC(N)=O)C1 1070409014 MYQVFQVGTPEYIH-WDEREUQCSA-N 312.370 -0.647 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2cn(C)cn2)C[C@H]1c1cncn1C 1070639004 NZFGCQCWXIKSKK-CHWSQXEVSA-N 312.377 -0.015 30 20 DBED Cc1nc(CC(=O)N2C[C@@H]3C[C@@H]4CN(CC#N)C[C@]3(C2)O4)n[nH]1 1070798399 QMHNYDLHENINQL-YWPYICTPSA-N 316.365 -0.519 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)[C@@H]4CCN(C)C4=O)C[C@@]3(C1)O2 1070840231 SULXTWNTEYSIPU-ZOMKSWQUSA-N 317.389 -0.600 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(C(=O)CCOCC)C[C@H]1C 1071781023 GLTINOYDMWEMGO-CHWSQXEVSA-N 323.393 -0.484 30 20 DBED C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1NC(=O)CC(N)=O 1071926520 ZHKTYOAZZWIVAO-KCJUWKMLSA-N 303.322 -0.662 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](NC(=O)C(F)F)[C@H](C)C1 1073609702 NITMHRIZHFNLRE-ZJUUUORDSA-N 315.320 -0.256 30 20 DBED C[C@H]1CN(C(=O)C#CC2CC2)CC[C@H]1NC(=O)CNC(N)=O 1073704587 JXMFCLBPMBALMH-CMPLNLGQSA-N 306.366 -0.579 30 20 DBED N#CCN1CCCO[C@@H](CNC(=O)[C@H]2CCCS2(=O)=O)C1 1073896013 IYXFHIRTQGYZJR-NWDGAFQWSA-N 315.395 -0.706 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(O)(CNC(=O)c2nc[nH]n2)CC1 1074705700 XKCLWORSLXQUFQ-VIFPVBQESA-N 306.326 -0.952 30 20 DBED C#CCOCCC(=O)N[C@H]1CCN(C(=O)c2nc[nH]n2)[C@@H](C)C1 1074990275 DBSHCWMGEXEBAU-RYUDHWBXSA-N 319.365 -0.046 30 20 DBED C#CCOCCC(=O)N[C@@H](C)CCNC(=O)CS(C)(=O)=O 1075818169 FRHCNFBJZCZMLD-NSHDSACASA-N 318.395 -0.918 30 20 DBED C#CCN1C[C@@H]2CCN(C(=O)CN3CCCS3(=O)=O)[C@@H]2C1 1075858847 FNQRVAMWOJARRR-QWHCGFSZSA-N 311.407 -0.812 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CN(C)CCO2)C1 1076833985 AYRIJOXUWGQRDZ-IJLUTSLNSA-N 303.790 -0.769 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)c2cnn3c2OCCC3)C1 1077304712 VWDYRXFFLAWRDU-CHWSQXEVSA-N 304.350 -0.536 30 20 DBED CCCC(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1CN(CC#N)C[C@H]1O 1078219529 DTEKORDEPRTPSL-MGPQQGTHSA-N 322.409 -0.148 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CO)(NC(=O)c2cnsn2)CC1 1080746303 LSCAHGHOJOVZHE-VIFPVBQESA-N 323.378 -0.219 30 20 DBED C#CCCCC(=O)N1CCC(CO)(NC(=O)c2cnn[nH]2)CC1 1080909146 MALFEALPPHVBPT-UHFFFAOYSA-N 319.365 -0.309 30 20 DBED C=CCOCC(=O)N1CCC(CO)(NC(=O)c2cnon2)CC1 1080961775 YDIIBTNQCSFUAN-UHFFFAOYSA-N 324.337 -0.645 30 20 DBED C#CCCCCC(=O)NC[C@@H]1CN(C(=O)CNC(C)=O)C[C@@H]1O 1081417732 XTOSOIRRADTORS-KGLIPLIRSA-N 323.393 -0.748 30 20 DBED CC#CCCCC(=O)NC[C@@H]1CN(C(=O)c2cnon2)C[C@@H]1O 1081672427 XZSRWXPKCGEMAR-YPMHNXCESA-N 320.349 -0.188 30 20 DBED C#CCCN1C[C@@H](NC(=O)c2cnc3n2CCOC3)[C@H](OC)C1 1081817120 CEPGXECIJIEVII-TZMCWYRMSA-N 318.377 -0.134 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H]2CN(CCS(C)(=O)=O)C[C@@H]21 1083026396 YRVFGWGBBSZOQL-GRYCIOLGSA-N 315.395 -0.898 30 20 DBED CN1CC[C@@H](CC(=O)N2CCO[C@@H]3CN(CC#N)C[C@@H]32)C1=O 1083112465 BYMJTBUKJNHTRW-RWMBFGLXSA-N 306.366 -0.710 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCc3cnn(C)c3C2)C1 1083728372 SYTLDMKNRARUGX-LNSITVRQSA-N 302.378 -0.681 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)[C@H]3CCS(=O)(=O)N3)C[C@@H]2C1 1088204756 MFOBVYNVHIPTMX-FRRDWIJNSA-N 311.407 -0.908 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CC[C@@H](C)N(c2cnc(C#N)cn2)C1 1089105304 IKTYJKAKNOOFHY-ZYHUDNBSSA-N 316.365 -0.042 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2cnc3[nH]cnc3c2)[C@@H](O)C1 1090300155 JLPYHXVHKZHHSH-PWSUYJOCSA-N 300.322 -0.354 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2cnc(C)nc2OC)[C@@H](O)C1 1090310636 MPHDAXPTVOKMPI-KBPBESRZSA-N 318.377 -0.018 30 20 DBED Cc1nc2cc(C(=O)N[C@@H]3CCN(CC#N)C[C@@H]3O)cnc2[nH]1 1090313716 SIKKKQGWYAJXHF-YPMHNXCESA-N 314.349 -0.045 30 20 DBED Cc1nc(N(C)C)nc(N2C[C@@H](O)[C@H](NC(=O)[C@@H](C)C#N)C2)n1 1090404184 JRXJWPNTYYNRAO-JMJZKYOTSA-N 319.369 -0.929 30 20 DBED C#CCN1CC[C@H](NC(=O)c2ccc3ncn(C)c3n2)[C@@H](O)C1 1090571828 CJPYEOCMKLBYPK-FZMZJTMJSA-N 313.361 -0.234 30 20 DBED C=CCN1CC[C@H](NC(=O)c2nc3nccc(C)n3n2)[C@@H](O)C1 1090773383 FJCAIXLJHFEKOK-RYUDHWBXSA-N 316.365 -0.216 30 20 DBED C=C(C)CCN1CC[C@H](NC(=O)CN2C(=O)CNC2=O)[C@@H](O)C1 1090793715 LMQJOKSQUGTMNI-RYUDHWBXSA-N 324.381 -0.944 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2cncc(C(N)=O)c2)[C@H](O)C1 1090820646 UJHYWHDTGXNPBB-UONOGXRCSA-N 316.361 -0.631 30 20 DBED CN(C)c1ccnc(C(=O)N[C@H]2CCN(CC#N)C[C@@H]2O)c1 1090838898 GRNVKHKVRAXGJY-JSGCOSHPSA-N 303.366 -0.164 30 20 DBED C[C@H](NC(N)=O)C(=O)N1C[C@@H](Nc2nccnc2C#N)[C@H](C)C1 1090968155 UXMRUVDOYIRZBM-WCABBAIRSA-N 317.353 -0.336 30 20 DBED C=CCN1CC2(C[C@@H](NC(=O)Cn3cncn3)c3nccn32)C1 1092409916 FADWKVIVBJXOAZ-GFCCVEGCSA-N 313.365 -0.067 30 20 DBED CNC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(C#N)n1 1092821422 UOMVYJMRVFLTGI-WOPDTQHZSA-N 314.349 -0.290 30 20 DBED C#CCN1CC(OC2CCN(C(=O)[C@H]3CCNC(=O)C3)CC2)C1 1093525587 CQIQHPILUMTHRP-ZDUSSCGKSA-N 319.405 -0.162 30 20 DBED Cc1nc2nccc(C(=O)NCCNc3cnc(C#N)cn3)n2n1 1093760260 XWRZWUMACKNQOH-UHFFFAOYSA-N 323.320 -0.064 30 20 DBED Cc1cc(=NCCNC(=O)[C@@H]2CCCNC2=O)c(C#N)c[nH]1 1093946042 UPXKEFBFGKQZHR-GFCCVEGCSA-N 301.350 -0.262 30 20 DBED CCc1cc(C(=O)N[C@H]2CC(=O)N(C3CN(CC#N)C3)C2)n[nH]1 1094705507 LXIQHGPHZCRJHO-NSHDSACASA-N 316.365 -0.489 30 20 DBED CN(C)C(=O)CC(=O)N1CC[C@@H](Nc2cnc(C#N)cn2)C1 1095083614 HBBXNTIWZWBXRF-SNVBAGLBSA-N 302.338 -0.161 30 20 DBED C[C@H](CC(N)=O)C(=O)N[C@H]1CCCN(c2nccnc2C#N)C1 1096218932 QFINBCBVJABZKB-MNOVXSKESA-N 316.365 -0.055 30 20 DBED N#Cc1cnc(N2CC[C@@H](NC(=O)CCn3ccnn3)C2)cn1 1096363023 PLDSBASXBXSHLT-LLVKDONJSA-N 312.337 -0.275 30 20 DBED CCC(=O)NCC(=O)N[C@H]1C[C@@H](N=c2cc[nH]cc2C#N)C1 1097164966 UBXAOBITHUVBBM-TXEJJXNPSA-N 301.350 -0.040 30 20 DBED C[C@H](CNC(=O)c1ccc2nnnn2c1)N=c1cc[nH]c(C#N)n1 1098153418 RXEYBAPBYBIEOG-SECBINFHSA-N 323.320 -0.562 30 20 DBED CC#CCN(CCO)C1CCN(C(=O)[C@@]2(C)CNC(=O)C2)CC1 1098437411 WVRIVAOFZNPAGY-QGZVFWFLSA-N 321.421 -0.179 30 20 DBED C[C@H](C(=O)N1CCC(N(CC#N)CCO)CC1)[C@@H]1CCC(=O)N1 1098485078 KQHZGISWQNWART-JSGCOSHPSA-N 322.409 -0.290 30 20 DBED N#Cc1cccnc1NC[C@@H]1CCN(C(=O)CNC(N)=O)C1 1098501216 UBYFCMHTDZVKQP-JTQLQIEISA-N 302.338 -0.118 30 20 DBED N#CCN[C@@H]1CN(C(=O)Cc2nc[nH]n2)C[C@H]1C(F)(F)F 1099330107 GHIHSTMVXUGQJV-HTQZYQBOSA-N 302.260 -0.150 30 20 DBED C[C@H](CCNC(=O)CCn1cnnn1)N=c1cc[nH]c(C#N)n1 1099416635 GWZSBWAWWKZWSO-SNVBAGLBSA-N 315.341 -0.846 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)Cc2ccoc2)[C@H](O)C1 1099787608 YFPKSAJHQJGGQT-UONOGXRCSA-N 321.377 -0.324 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)C(C)(C)C(N)=O)[C@@H](O)C1 1099887614 ICMWTPPEQOIGJQ-NEPJUHHUSA-N 313.398 -0.748 30 20 DBED C=CCN1CC[C@H](NC(=O)COCc2ccnn2C)[C@@H](O)C1 1099890384 RNHJHLZSTFTUCG-KBPBESRZSA-N 308.382 -0.326 30 20 DBED C=CC(C)(C)C(=O)N[C@H]1CCN(Cc2nc(O)n[nH]2)C[C@H]1O 1099957272 NCYAYVDWURRKHD-VHSXEESVSA-N 309.370 -0.226 30 20 DBED C=CCN1CC[C@H](NC(=O)C(C)(C)S(C)(=O)=O)[C@H](O)C1 1100023248 ZLXQTMJEVTZLDJ-WDEREUQCSA-N 304.412 -0.453 30 20 DBED CCCCS(=O)(=O)CC(=O)N[C@@H]1CCN(CC#N)C[C@H]1O 1100130011 WZBKWZMLHGDHJS-VXGBXAGGSA-N 317.411 -0.724 30 20 DBED CCN(CCNC(=O)C(N)=O)c1cc(C#N)ccc1[N+](=O)[O-] 1100706246 WGGDAPPCRIBMKO-UHFFFAOYSA-N 305.294 -0.106 30 20 DBED CCCN(CCNC(=O)[C@H]1CCNC1=O)c1cnc(C#N)cn1 1101220726 ORZFMDVJUKRFCX-LBPRGKRZSA-N 316.365 -0.183 30 20 DBED N#Cc1nccc(N(CCNC(=O)[C@H]2COC(=O)N2)C2CC2)n1 1101335863 DBQPKFQBWPPQJS-SNVBAGLBSA-N 316.321 -0.458 30 20 DBED Cn1nncc1C(=O)NCCN(c1nccnc1C#N)C1CC1 1101341892 QWXAPNGQRQGPJA-UHFFFAOYSA-N 312.337 -0.124 30 20 DBED CN(CCNc1cnc(C#N)cn1)C(=O)CN1CCCC1=O 1101495729 YFVPOGMKKMHKIE-UHFFFAOYSA-N 302.338 -0.159 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)CCN1CCCC1=O 1101626849 BJKQURUAZCCCCI-UHFFFAOYSA-N 316.365 -0.347 30 20 DBED C=CCn1cc(C(=O)N(C)CCN=c2cc[nH]c(C#N)n2)nn1 1101984515 YVZDJZAFTMTNET-UHFFFAOYSA-N 312.337 -0.268 30 20 DBED N#Cc1ccc(N2CCCC[C@H](NC(=O)CNC(N)=O)C2)nn1 1102840339 LXHUCHXAPPLKNL-NSHDSACASA-N 317.353 -0.508 30 20 DBED COCC#CCN1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCNC2=O)C1 1103316292 AAQIYMLZLGROHD-RBSFLKMASA-N 321.421 -0.154 30 20 DBED N#Cc1c(F)cccc1N1CCO[C@H](CNC(=O)C(N)=O)C1 1104344530 AXKLVDQKWYTQBV-SECBINFHSA-N 306.297 -0.496 30 20 DBED C[C@@H](NCc1cn(C2CN(C(=O)C#CC3CC3)C2)nn1)C(N)=O 1105233358 VMDSTUYUIAVCDE-SNVBAGLBSA-N 316.365 -0.962 30 20 DBED CC(C)[C@H](CNC(=O)[C@H]1CNC(=O)N1)Nc1nccnc1C#N 1105277992 QZTAKKVZBHTRQB-WDEREUQCSA-N 317.353 -0.418 30 20 DBED C#CCNC(=O)CC(=O)N(C)CCN(C)c1ccc(C#N)nc1 1105369152 QSPIQGCONVMQNF-UHFFFAOYSA-N 313.361 -0.013 30 20 DBED CN(CCN(C)c1ccnc(C#N)n1)C(=O)[C@@]1(C)CCNC1=O 1105557232 BLCXHDTXKXZYTE-HNNXBMFYSA-N 316.365 -0.231 30 20 DBED Cc1cc(C#N)nc(NC[C@H](O)CNC(=O)c2cnn(C)c2)n1 1105716564 WDBNHXOSBJFTQN-GFCCVEGCSA-N 315.337 -0.407 30 20 DBED Cc1cc(C#N)nc(NC[C@H](O)CNC(=O)[C@H]2CCOC2)n1 1105738071 OFTXBEBYALFOIV-CMPLNLGQSA-N 305.338 -0.418 30 20 DBED Cc1nc(NC[C@@H](O)CNC(=O)[C@H]2CCC(=O)N2)ccc1C#N 1105751177 WQFDTRSYGFKPHL-VXGBXAGGSA-N 317.349 -0.571 30 20 DBED C=CCNC(=O)CNC[C@@H]1CN(C(=O)[C@H](C)NC(C)=O)C[C@H]1C 1105793301 DAPDBCHAMIRPMN-MBNYWOFBSA-N 324.425 -0.503 30 20 DBED CN1CC[C@@H](CC(=O)NC[C@@H](O)CNc2ccc(C#N)nn2)C1 1105914144 POJKMSBOUWETDW-AAEUAGOBSA-N 318.381 -0.421 30 20 DBED COCC1(C(=O)NC[C@@H](O)CN=c2cc[nH]c(C#N)n2)CC1 1106023350 TWCWHXQBEWPIJS-JTQLQIEISA-N 305.338 -0.914 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)[C@@H]2CCC(=O)NC2)nc1 1106170384 RCGICYOEPOGGHA-NEPJUHHUSA-N 317.349 -0.632 30 20 DBED CCN(CCNc1nccnc1C#N)C(=O)[C@H](C)NC(N)=O 1106736477 XQVZJUUKHRJBJR-VIFPVBQESA-N 305.342 -0.335 30 20 DBED CN1CC[C@@H](C(=O)NC/C=C/CNc2nccnc2C#N)C1=O 1107460586 XMWOCMJEEUTWSV-VUDBWIFFSA-N 314.349 -0.089 30 20 DBED C[C@H](C(=O)NC/C=C\CNc1cncc(C#N)n1)S(C)(=O)=O 1107575779 FXFGZLHPZWIREO-UMBAGQNISA-N 323.378 -0.134 30 20 DBED C[C@]1(CNC(=O)c2ccoc2)CN(CC(=O)NCC#N)CCO1 1107735575 CZQILJGQSGUTHC-HNNXBMFYSA-N 320.349 -0.260 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@]1(C)CN(CC#CCOC)CCO1 1107940113 OFPYUGVSAHCXEG-NVXWUHKLSA-N 322.405 -0.118 30 20 DBED CC1(C(=O)NC[C@@]2(C)CN(CC(=O)NCC#N)CCO2)CC1 1107959930 UDQDOJRUTWJDKP-HNNXBMFYSA-N 308.382 -0.367 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)c2ccnc3[nH]nnc23)C1 1108064547 KASIBJGPRILDFH-OAHLLOKOSA-N 314.349 -0.193 30 20 DBED CC#CCN1CCO[C@](C)(CNC(=O)CCn2cnnn2)C1 1108303337 VGVQWOLKNMEVRU-CQSZACIVSA-N 306.370 -0.706 30 20 DBED COCC#CCN1CCO[C@@](C)(CNC(=O)Cn2cncn2)C1 1108384031 LFQSHRCSEHZCPI-HNNXBMFYSA-N 321.381 -0.865 30 20 DBED C[C@@H](CNc1cnc(C#N)cn1)NC(=O)C[C@H]1CC(=O)NC1=O 1108435685 MYDVCGBESXITML-IUCAKERBSA-N 316.321 -0.682 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H]1CC(=O)N(C2CN(CCF)C2)C1 1108546577 YOMAGGQMMLQLEZ-RYUDHWBXSA-N 311.357 -0.605 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ncc[nH]1)C2 1108678871 NBWAERLNCJCIDN-AVGNSLFASA-N 315.377 -0.258 30 20 DBED C[C@@H](CNc1cnc(C#N)cn1)NC(=O)[C@@H]1CC(=O)N(C)C1 1108748435 RYARACFEKMMMSO-VHSXEESVSA-N 302.338 -0.257 30 20 DBED CC(=O)N(C)CC(=O)N[C@@H](CN=c1cc[nH]c(C#N)n1)C1CC1 1109762789 ARMZXVRAQXYMHS-LBPRGKRZSA-N 316.365 -0.445 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1ncn(C)n1 1110519089 IUBFKLGKUFIJHL-UPJWGTAASA-N 303.366 -0.200 30 20 DBED Cn1nccc1C(=O)N(CCO)CCN=c1cc[nH]c(C#N)n1 1111432709 ZFLIEMPKHLTVAH-UHFFFAOYSA-N 315.337 -0.950 30 20 DBED CO[C@@H](C)C(=O)NC[C@@H]1COCCN1c1cncc(C#N)n1 1111658052 VOKPOUCIHVSNRD-CMPLNLGQSA-N 305.338 -0.295 30 20 DBED N#Cc1nccc(N2C[C@@H](O)[C@@H](CNC(=O)C#CC3CC3)C2)n1 1112720908 REXBXMHIMFCJES-QWHCGFSZSA-N 311.345 -0.325 30 20 DBED CN(C)CCC(=O)NC[C@H]1CN(c2ccc(C#N)nc2)C[C@@H]1O 1112754548 CDZLVYWHMKFWHR-WFASDCNBSA-N 317.393 -0.182 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CCC[C@@H]2OC)CC1 1113037592 NCLVGHLGCGWWKB-KGLIPLIRSA-N 307.394 -0.305 30 20 DBED C[C@H](NC(=O)CCNC(N)=O)[C@H](C)Nc1cncc(C#N)n1 1113038262 CQCNDNWFAGHLOE-IUCAKERBSA-N 305.342 -0.288 30 20 DBED COC(=O)NCC(=O)NC[C@@H](C)N(C)c1ccnc(C#N)n1 1113513004 VSLGVZMWIVARIV-SECBINFHSA-N 306.326 -0.355 30 20 DBED CC#CCN1CCN(C(=O)CCNC(=O)[C@@H]2CCCO2)CC1 1113734666 VGSJOWUECWVKPK-AWEZNQCLSA-N 307.394 -0.161 30 20 DBED Cc1cnc(C(=O)NC2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]23)cn1 1113801463 ULUSHWZYZOQJMD-GHMZBOCLSA-N 314.349 -0.915 30 20 DBED C=CCOCC(=O)N[C@H]1[C@@H]2CN([C@@H](C)C(=O)NC3CC3)C[C@@H]21 1114050797 JADJBQTYEFYDKH-MUYACECFSA-N 307.394 -0.098 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3nccc(C)n3)[C@H]2C1 1114189838 WZKLDNPXJDRJLR-RYUDHWBXSA-N 313.361 -0.806 30 20 DBED C#CCOCCC(=O)NC1[C@@H]2CN(Cc3nc(O)n[nH]3)C[C@@H]12 1114265309 CDFZVJVGTHKREC-NXEZZACHSA-N 305.338 -0.903 30 20 DBED COCC#CCN1C[C@@H]2C(NC(=O)c3cncnc3O)[C@H]2C1 1114447553 QGJGNOUDNCGINO-RYUDHWBXSA-N 302.334 -0.508 30 20 DBED N#Cc1cncc(N2C[C@H]3C(CNC(=O)Cc4nc[nH]n4)[C@@H]3C2)n1 1114571231 CZOMLWWSRXFTQF-RYUDHWBXSA-N 324.348 -0.493 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)NCc2ccc(O)cc2)C1 1118207793 RURAEANBAYNSHX-HNNXBMFYSA-N 303.318 -0.115 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N1C[C@@](C)(CO)[C@@](C)(CO)C1 1118826888 PHZBLKVKPHUXPS-CALCHBBNSA-N 320.389 -0.689 30 20 DBED Cc1cc(C#N)nc(N[C@H](CO)CNC(=O)c2cncnc2)n1 1121339533 LCKWXJWSJIKKNJ-LBPRGKRZSA-N 313.321 -0.351 30 20 DBED Cc1nonc1CC(=O)NC[C@H](CO)Nc1cnc(C#N)cn1 1121956285 OYRIIRIJBSQNJZ-SNVBAGLBSA-N 317.309 -0.829 30 20 DBED N#Cc1nc(=N[C@@H](CO)CNC(=O)C2(C(F)F)CC2)cc[nH]1 1122059954 DPTKBKMNFOVWEH-MRVPVSSYSA-N 311.292 -0.296 30 20 DBED C[C@H](C(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1)C(F)(F)F 1122326388 WQLAHGFRLBZIOT-HTQZYQBOSA-N 317.271 -0.142 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CCCN(c2nccnc2C#N)[C@@H]1C 1123516191 ZUGCCRGKSPZZBF-ZYHUDNBSSA-N 316.365 -0.042 30 20 DBED CC(=O)N[C@H](C)C(=O)N(C)C[C@H](O)CNc1ccc(C#N)cn1 1124059771 LUTGSJLNELSWHS-ZWNOBZJWSA-N 319.365 -0.291 30 20 DBED COCCc1nc(CNCCNC(=O)c2cc(C#N)c[nH]2)no1 1125361510 SZYQONMHKZCYAG-UHFFFAOYSA-N 318.337 -0.022 30 20 DBED CC(C)N(CCN(C)c1ccnc(C#N)n1)C(=O)CC(N)=O 1125450452 RZBANSZBJQKAGA-UHFFFAOYSA-N 304.354 -0.103 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCNCc1ncnn1CCF 1129763156 YKRAOIOXHWZKOV-ZDUSSCGKSA-N 322.388 -0.449 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1ccc2cncn2c1C 1130656695 XYRVFJLYNAPQDJ-UHFFFAOYSA-N 313.361 -0.288 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@@H](C)OCC#C)C[C@H]1c1cncn1C 1130988921 PPACJVKUMUUOSD-RBSFLKMASA-N 314.389 -0.024 30 20 DBED COc1cc(C(=O)NCCNCC(=O)NCC#N)ccc1C 1131037617 ZWPSUHNVSSHNES-UHFFFAOYSA-N 304.350 -0.037 30 20 DBED C=C(C)CN1CCNC(=O)CCN(C(=O)CC(=O)NC)CC1 1131351725 ZNFBJHQYEMEVDW-UHFFFAOYSA-N 310.398 -0.651 30 20 DBED COCC1(C(=O)N2CCC(=O)NCCN(CC#N)CC2)CCC1 1131371934 SPVGTGSEMWMHPD-UHFFFAOYSA-N 322.409 -0.023 30 20 DBED COCC#CCNCCNC(=O)c1ccc(Cn2ccnn2)o1 1131621672 AHMLPYDLBQJHDU-UHFFFAOYSA-N 317.349 -0.111 30 20 DBED C=CCNC(=O)CNCCNC(=O)CCc1ccnc(C)n1 1131760417 QRBMKCJJUHOSDD-UHFFFAOYSA-N 305.382 -0.274 30 20 DBED Cc1nc(CCC(=O)NCCNCC(=O)NCC#N)cs1 1134703335 JUCNUDOLIVDLPD-UHFFFAOYSA-N 309.395 -0.270 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)c1cnc(O)n1C 1135188651 NOKAIBSHFQXILX-WDEREUQCSA-N 321.381 -0.638 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)c1c[nH]c(=O)cn1 1135320031 IDUWQHOUBGXZAP-QWRGUYRKSA-N 319.365 -0.994 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)Cn1ccc(C)n1 1135493642 XBUMZLPHMXHYOR-KGLIPLIRSA-N 319.409 -0.186 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)C[C@@H](OC)C(F)(F)F 1146924841 KJYOUYOZMWLUDA-NXEZZACHSA-N 323.315 -0.203 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)C[C@H](C)N1CCCC1=O 1147614890 KTIVZSHXPDWRCP-STQMWFEESA-N 324.425 -0.216 30 20 DBED C=CCOCCNCCNC(=O)c1nc(O)nc(O)c1OC 1147697486 BNVZLKKIEACAGM-UHFFFAOYSA-N 312.326 -0.582 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)c1csnn1)C2 1147997254 JLTOGHYJJOOZDP-UHFFFAOYSA-N 319.390 -0.565 30 20 DBED COCC#CCN1CCCO[C@@H](CNC(=O)[C@H]2CCC(=O)N2)C1 1149400728 XOWASFXWPCDOLP-UONOGXRCSA-N 323.393 -0.878 30 20 DBED COCC#CCNCCNC(=O)CNC(=O)c1cccc(F)c1 1149874752 GXPMZTGSAHYASO-UHFFFAOYSA-N 321.352 -0.089 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)COC[C@H]2CCOC2)C1 1150394980 OATDYULBNHJCES-GJZGRUSLSA-N 310.394 -0.120 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)c1cnn(C)c1C 1151887283 YWZQBKLQVRXDTC-LLVKDONJSA-N 320.397 -0.192 30 20 DBED C[C@@H](NCCCNC(=O)c1c[nH]c(C#N)c1)c1nnnn1C 1156841895 VLXQRXQVTRHIQR-SECBINFHSA-N 302.342 -0.119 30 20 DBED C#CCNC(=O)CC(=O)NCCCN[C@@H](C)c1nc(CC)no1 1156857228 JCQIRTUVEOMMBX-NSHDSACASA-N 321.381 -0.072 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@H](C)Cn1ccc(C)n1 1158844401 HMUQOFSFBRRWPY-CYBMUJFWSA-N 319.409 -0.327 30 20 DBED CO[C@H](C)CC(=O)NCCC1(CNCC(=O)NCC#N)CC1 1163736174 RAXNQXQYFZMORO-GFCCVEGCSA-N 310.398 -0.073 30 20 DBED C#CCNC(=O)CNCC1(CCNC(=O)Cn2ccnc2)CC1 1168493032 HKSFSXARQJTIIZ-UHFFFAOYSA-N 317.393 -0.491 30 20 DBED C#CCNC(=O)CNCCCNC(=O)CCc1nccs1 1176434856 BIUCSJISOJUGHL-UHFFFAOYSA-N 308.407 -0.079 30 20 DBED CC(C)(C)C#CC(=O)N1CC[C@H]2OCCN(CC(N)=O)[C@@H]2C1 1177004700 BCINAJGBVHNFDD-CHWSQXEVSA-N 307.394 -0.177 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)CS(=O)(=O)CC)C[C@H]21 1177150407 MEWMCUQNTFARJH-CHWSQXEVSA-N 314.407 -0.644 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(CNCC(N)=O)C1 1181764527 QHFYTNZAXRJWBP-JKIFEVAISA-N 320.437 -0.357 30 20 DBED CC[C@@H]1CCO[C@@H]1C(=O)N1CC[C@@H](NCC(=O)NCC#N)C1 1183390899 NACMQBZSWWYUFS-BZPMIXESSA-N 308.382 -0.368 30 20 DBED C#CCNC[C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C[C@H]1C 1184922994 IPKGUFKKICFCOF-KGLIPLIRSA-N 306.410 -0.874 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2cnoc2CC)C1 1185994598 XPIHCOJEOXCYJV-LLVKDONJSA-N 304.350 -0.210 30 20 DBED CN([C@H]1CCN(C(=O)CSCC#N)C1)[C@H]1CCC(=O)NC1=O 1188958051 CNWXEDBEDRPSFL-QWRGUYRKSA-N 324.406 -0.419 30 20 DBED COCCCNC(=O)CN(C)[C@H]1CCN(C(=O)[C@H](C)C#N)C1 1189391136 VYBSFEISTDMOEP-OLZOCXBDSA-N 310.398 -0.169 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)COCC(F)F)C1 1191514947 HXNBAJWWTQBFCZ-LLVKDONJSA-N 317.336 -0.450 30 20 DBED CC(C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1O)=C1CCCC1 1192096834 LUEFCOUGIDEFMU-ZIAGYGMSSA-N 320.393 -0.322 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)COc2c(C)nn(C)c2C)C1 1193024234 HYSOBHJSZPHLGT-CHWSQXEVSA-N 306.366 -0.790 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2ccn(C)n2)C1 1194010195 IEUKAGIPKXQNJS-GFCCVEGCSA-N 305.382 -0.131 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)CNC(=O)OC)CC1 1194999666 MEQIWKZIMOQPEJ-UHFFFAOYSA-N 312.370 -0.821 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(Cc2cnn(CC)n2)C[C@H]1O 1199292982 YHYCDOYPNIYMIS-ZIAGYGMSSA-N 323.397 -0.448 30 20 DBED C=CCNC(=O)[C@H](C)NC1CCN(C(=O)[C@H]2CCC(=O)N2)CC1 1199768398 OYRZAPXPTPGAKW-WCQYABFASA-N 322.409 -0.464 30 20 DBED C=CCOCC(=O)N1CCCO[C@H](CNCc2cn(C)nn2)C1 1200109542 WSXDDLDSRXEOLP-CQSZACIVSA-N 323.397 -0.275 30 20 DBED CC#CCNC[C@H]1CN(C(=O)CCS(C)(=O)=O)CCCO1 1200824651 QQWIEIBMQYIZLT-ZDUSSCGKSA-N 316.423 -0.349 30 20 DBED C#CCNC[C@H]1CN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)CCCO1 1201410560 HPQOUIDUXJGWOU-MJBXVCDLSA-N 307.394 -0.449 30 20 DBED C#CCNC[C@H]1CN(C(=O)c2cc(C(N)=O)ccn2)CCCO1 1202250546 KSSIEKUMUJTJDZ-ZDUSSCGKSA-N 316.361 -0.366 30 20 DBED COCC(=O)N(C)CC(=O)N1C[C@H]2CC[C@H]1[C@@H](NCC#N)C2 1204409613 YHMYBHZXDXBTJV-AVGNSLFASA-N 308.382 -0.416 30 20 DBED C=CCNC(=O)NC(=O)CN1C[C@@H](NC(=O)C2CC2)[C@H](C)C1 1205701541 XUXIHOKBLJCLTE-ZYHUDNBSSA-N 308.382 -0.155 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)C[C@@H]1CCCO1 1206231024 SPBXYYSRYQHNLM-FRRDWIJNSA-N 308.382 -0.368 30 20 DBED CCN(CCC#N)C(=O)CN[C@H]1CCCN(C(=O)COC)C1 1206980925 SSWKYUDSBCHNHF-ZDUSSCGKSA-N 310.398 -0.024 30 20 DBED CCCC(=O)NCC(=O)N1CCC[C@@H](NCC(=O)NCC#N)C1 1207567289 YVGQECTWLCNQBB-GFCCVEGCSA-N 323.397 -0.877 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H](NCCN(C)S(C)(=O)=O)C1 1207689518 ZWEIWZBWVMQZBV-NWDGAFQWSA-N 316.427 -0.382 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)c2ccnnc2C)C1 1208497995 LAPSMBUNPDOANN-ZDUSSCGKSA-N 315.377 -0.271 30 20 DBED C=CCCCN1C[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)[C@H](C)C1 1208933243 NTFOTTXRQBFJAB-GRYCIOLGSA-N 308.382 -0.013 30 20 DBED C=CCCN1C[C@@H](NC(=O)CCn2ncn(C)c2=O)[C@H](OC)C1 1213213016 AANGASOOFNZKAN-CHWSQXEVSA-N 323.397 -0.637 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(C[C@H](O)COC)C[C@H]1OC 1213959703 XMUNSQWCYNRISZ-BFHYXJOUSA-N 316.398 -0.598 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)CN2CCCC2=O)C[C@H]1C 1214109500 DWADVWHRFIZROY-CHWSQXEVSA-N 322.409 -0.653 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2cnns2)C[C@H]1C 1214227162 PZMGNBVNTNWWGV-OUAUKWLOSA-N 321.406 -0.274 30 20 DBED C=CCOCC(=O)N1CCO[C@@H]2CN(Cc3ncnn3C)C[C@@H]21 1217533631 YWJYRORYMIVYLN-QWHCGFSZSA-N 321.381 -0.571 30 20 DBED N#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2ccccc2)C1 1219104924 JTAVRKKXGGFUIP-OLZOCXBDSA-N 302.334 -0.899 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)CCCCCNC(C)=O)C1 1220918360 WMSSICXBFJQMCQ-CABCVRRESA-N 309.410 -0.133 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(Cc2cnsn2)C[C@@H]1O 1221139863 QQMVAURRTCAWRX-NEPJUHHUSA-N 312.395 -0.208 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2nc(CC)no2)C[C@@H]1O 1221145746 KEPNWZINNOGRKE-UTUOFQBUSA-N 324.381 -0.116 30 20 DBED N#CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3cc[nH]n3)[C@@H]2C1 1221286191 OWSNBSAGVYHDMY-ZYHUDNBSSA-N 302.338 -0.804 30 20 DBED C#CCNC(=O)CC(=O)NCC1CCN(CCCOC)CC1 1222908487 ZIDNUUNIIMBJHL-UHFFFAOYSA-N 309.410 -0.009 30 20 DBED C#CCN1CCC(CNC(=O)COCc2nncn2C)CC1 1225046223 GPHFVHMJGTXIJD-UHFFFAOYSA-N 305.382 -0.207 30 20 DBED C=C[C@](C)(O)CC(=O)NC1CCN(Cc2nc(O)n[nH]2)CC1 1227124145 NIPNYEQBLJCBFT-AWEZNQCLSA-N 309.370 -0.082 30 20 DBED C#CCN1CCC(NC(=O)CCc2nnc(O)nc2O)CC1 1228132209 JKJOVDDKSLRYIN-UHFFFAOYSA-N 305.338 -0.571 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C[C@@H]1CCN1Cc1cnn(C)n1 1234214346 AFGOBZDTCRGGGQ-OCCSQVGLSA-N 305.382 -0.114 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N[C@H]2CCCNCC2)nn1 1261435573 YTFPLDHQEYWLED-NSHDSACASA-N 306.370 -0.661 30 20 DBED CC(C)(C)N1CCN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)CC1 1261484481 BPIYDFQRSKQFNY-INIZCTEOSA-N 322.409 -0.194 30 20 DBED N#Cc1ccc([C@H](NCCN2C(=O)CNC2=O)C(N)=O)cc1 1318578238 YYRBUZRUVWGPEJ-LBPRGKRZSA-N 301.306 -0.774 30 20 DBED N#CCN1CCN(C(=O)c2ccnc(S(N)(=O)=O)c2)CC1 1321453898 LAILRUQFEZPVLB-UHFFFAOYSA-N 309.351 -0.990 30 20 DBED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)NCCn1cncn1 1323174910 OUZSIQUJQBLCTM-VXGBXAGGSA-N 307.354 -0.508 30 20 DBED CCOCCN1CCN(C(=O)C(=O)NCC2(CC#N)CC2)CC1 1326144980 RAUGDZOPSYHCBO-UHFFFAOYSA-N 322.409 -0.023 30 20 DBED CN1CCC(C#N)(NC(=O)[C@@H]2CCc3nnnn3CC2)CC1 1326496176 HJTPSERZGGKLTR-LLVKDONJSA-N 303.370 -0.270 30 20 DBED C=CC[C@H](NC(=O)c1nc(N)nc(N(C)C)n1)C(=O)OCC 1326893499 MTGGWZLAZMEEJA-QMMMGPOBSA-N 308.342 -0.243 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CCC[C@@H]2CCO)nn1 1328107270 LHVRXSAKTMQXJX-GFCCVEGCSA-N 307.354 -0.546 30 20 DBED CCN1CCN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CC1 1329274588 TYVAJQSFWRDQGK-AWEZNQCLSA-N 319.409 -0.651 30 20 DBED C[C@H](CC(N)=O)NC(=O)C(=O)Nc1ccc(OCC#N)cc1 1330722482 YUIFTRFSCHPCHN-SECBINFHSA-N 304.306 -0.092 30 20 DBED CC(=O)NCCN(C)C(=O)C(=O)Nc1cc(C)c(C#N)cn1 1332890850 AUCZSNOJHBQKCH-UHFFFAOYSA-N 303.322 -0.205 30 20 DBED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1ccc(=O)n(CC)c1 1339864722 GJQVYDGIXTYURF-GFCCVEGCSA-N 305.334 -0.303 30 20 DBED C=CCn1c([C@H]2CNC(=O)C2)nnc1N(C)CCNC(C)=O 1341316744 TZXKYSRVSACOKS-LLVKDONJSA-N 306.370 -0.360 30 20 DBED C[C@H]1C[C@@H](NC(=O)C(=O)NC2CCN(CC#N)CC2)CCN1C 1341936649 WADHXMKJAHQYHV-JSGCOSHPSA-N 321.425 -0.311 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N1CC[C@H](C(=O)N(C)C)C1 1345093431 RXFGNUFXOSRHOG-LBPRGKRZSA-N 311.382 -0.416 30 20 DBED C=CCC1(O)CCN(C(=O)C(=O)N2CCN(C)C(=O)[C@H]2C)CC1 1345497551 PHNSGFHISOQKIT-GFCCVEGCSA-N 323.393 -0.395 30 20 DBED COC(=O)N1CC(NC(=O)C(=O)NCC2CCC(C#N)CC2)C1 1347267413 BXZFXMCFKPIEKK-UHFFFAOYSA-N 322.365 -0.001 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CCCO[C@H](C)C2)nn1 1349046759 XSOLGJRNJJDWCZ-LLVKDONJSA-N 307.354 -0.282 30 20 DBED C#CC1CCN(C(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC1 1349213616 WTUDEDXIFFLWTD-LSDHHAIUSA-N 319.405 -0.162 30 20 DBED C=CCn1c(N2CCO[C@H](C(=O)NC)C2)nnc1C1(O)CCC1 1351473754 ZIYPBZCAKFGYNQ-NSHDSACASA-N 321.381 -0.213 30 20 DBED CN1CC[C@H]1CNC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1354907196 WKMXINUGRKNNKE-STQMWFEESA-N 305.382 -0.995 30 20 DBED N#Cc1cc(C(=O)NC[C@@]2(O)CCS(=O)(=O)C2)ccc1F 1363254673 QVNPBQVXKHRYME-ZDUSSCGKSA-N 312.322 -0.023 30 20 DBED COCCN(Cc1ccccn1)c1[nH]c(=O)n(C)c(=O)c1C#N 1364153409 ZMZMFZWCZUUXSK-UHFFFAOYSA-N 315.333 -0.007 30 20 DBED COCCN(CCNC(=O)c1ccn(C)n1)C(=O)[C@@H](C)C#N 1371133347 ALVGWSOCLHVFOL-NSHDSACASA-N 307.354 -0.215 30 20 DBED CC(=O)NCC(=O)NC[C@@H](O)CNCc1ccc(C#N)cc1F 1374575564 ZEXZVVQHNGWZSE-ZDUSSCGKSA-N 322.340 -0.600 30 20 DBED COCc1nn(C)cc1C(=O)N[C@@H](C)CNC(=O)[C@H](C)C#N 1377744803 SRNKMTWJOBSOHX-ZJUUUORDSA-N 307.354 -0.039 30 20 DBED C[C@@H](CNC(=O)c1ccc2nnc(O)n2c1)NC(=O)[C@H](C)C#N 1386361738 WLADTVGCTJNYKD-BDAKNGLRSA-N 316.321 -0.171 30 20 DBED COCC1(C(=O)NC[C@H](O)CNC(=O)c2cc(C#N)c[nH]2)CC1 1389090415 VOPQCYVRXXTAAO-LLVKDONJSA-N 320.349 -0.480 30 20 DBED C[C@H](CNC(=O)[C@H]1CCC(=O)N1)NC(=O)c1ccc(C#N)[nH]1 1389167599 JPMVPHMBOFDUBJ-PSASIEDQSA-N 303.322 -0.601 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CCCN1C(=O)c1c[nH]c(=O)cn1 1398215777 QRRYGVAQIMRFNL-NXEZZACHSA-N 303.322 -0.350 30 20 DBED C=C(Br)CNC[C@@H](O)CNC(=O)[C@H]1CCOC1 1401492161 MLGISCDEHFLDOM-VHSXEESVSA-N 307.188 -0.002 30 20 DBED C[C@H](C#N)C(=O)N1CCN(CCNC(=O)CC2(O)CCC2)CC1 1407423955 ANNPWUPWHPDOII-CYBMUJFWSA-N 322.409 -0.288 30 20 DBED COC[C@H](O)CNC[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCO1 1407839109 LSHNTTCYIGUTAK-CHWSQXEVSA-N 322.365 -0.676 30 20 DBED C=C(Cl)CNC[C@@H](O)CN(C)C(=O)c1c[nH]c(C(N)=O)c1 1411131507 WOXSPLCDDUYYTP-SNVBAGLBSA-N 314.773 -0.111 30 20 DBED Cn1cc([C@@H](O)CNC(=O)CNc2ccc(C#N)cn2)cn1 1411911597 SRPDOUQBYVSSEQ-LBPRGKRZSA-N 300.322 -0.052 30 20 DBED C[C@H]1[C@H](N(C)C)CCN1C(=O)Cn1cc(C#N)c(O)nc1=O 1413019258 RZEWOXRAYZJZOF-GXSJLCMTSA-N 305.338 -0.628 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1ncc(F)cc1F 1416769572 OBMUMKBPFHPBFR-CBAPKCEASA-N 312.276 -0.274 30 20 DBED N#Cc1c[nH]c(C(=O)N2CCS(=O)(=O)[C@H]3COCC[C@H]32)c1 1417923203 PFBAZANVUADMAE-NEPJUHHUSA-N 309.347 -0.086 30 20 DBED CCCS(=O)(=O)CC(=O)NCC1CN(C(=O)[C@@H](C)C#N)C1 1430388469 UYLIDVHHAAILIL-JTQLQIEISA-N 315.395 -0.455 30 20 DBED N#Cc1ccc(C(=O)NCCc2nnc3n2CCNC3=O)cc1 1434362848 XGUJLMZBZXWIEY-UHFFFAOYSA-N 310.317 -0.134 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](C)CN(C)C(=O)c1cn(C)c(=O)nc1O 1443827955 SRTFAKMRCMQPLA-DTWKUNHWSA-N 321.337 -0.778 30 20 DBED CO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1NC(=O)CC1(O)CCC1 1445610041 LIJKZHFHBKOXAA-QJPTWQEYSA-N 309.366 -0.207 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(Cc2nc(C(C)(C)C)n[nH]2)C1 1446828966 OHGPPRBRDQAQBS-SNVBAGLBSA-N 320.397 -0.075 30 20 DBED Cc1c(C#N)c(=O)n(CC(=O)N2CCCC2=O)c(=O)n1C1CC1 1459219246 SMUIPCWCVPAUOR-UHFFFAOYSA-N 316.317 -0.326 30 20 DBED C=C(Cl)CN[C@H](CNC(=O)Cn1ncn(C)c1=O)C1CC1 1490681502 BXEZOVKTUAWRLA-LLVKDONJSA-N 313.789 -0.181 30 20 DBED CCCN(CCNC(=O)[C@H](C)C#N)[C@H](C)C(=O)NC(=O)NC 1493279914 KBWMOPNTYGDDNW-GHMZBOCLSA-N 311.386 -0.182 30 20 DBED C=C(Cl)CN1CC[C@@](O)(CNC(=O)[C@H]2CCC(=O)N2C)C1 1500714263 LCAIQECSUWHPLK-BXUZGUMPSA-N 315.801 -0.087 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1ccc2cc[nH]c2n1 1501554157 KMMMWYCJGCMBMU-KOLCDFICSA-N 315.333 -0.071 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@@H]1CCN(C(=O)c2c[nH]c(C(N)=O)c2)C1 1523106022 NZVBTYJJKKCHJY-GXSJLCMTSA-N 317.349 -0.054 30 20 DBED CO[C@@H](C)C(=O)N(C)CCN1CCN(C(=O)[C@@H](C)C#N)CC1 1530101558 CDCNIHFADJPJTF-STQMWFEESA-N 310.398 -0.216 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)[C@H](NC(N)=O)C(C)(C)C)CC1 1535632370 GYWAARUGJUTVNS-ZJUUUORDSA-N 323.397 -0.006 30 20 DBED C=CC(C)(C)C(=O)NC1(CCO)CN(C(=O)[C@H]2C[C@@H]2C(=O)O)C1 1573347905 QAAHPZSJVYJVDH-QWRGUYRKSA-N 324.377 -0.001 30 20 DBED N#Cc1nc(NCCC2(O)CCOCC2)cnc1-c1nn[nH]n1 1581880260 DWNFKNZVODQVPI-UHFFFAOYSA-N 316.325 -0.128 30 20 DBED C#CCNC(=O)[C@@H]1CC(=O)N(c2ccc(-c3nn[nH]n3)cc2)C1 1588353580 XUHQJSOGIYBGTP-LLVKDONJSA-N 310.317 -0.031 30 20 DBED C#CC[C@H](COC)NC(=O)C(=O)N1CC[C@H](C(=O)O)[C@@H](C)C1 1588389609 XSBQBVKBYWJWMF-TUAOUCFPSA-N 310.350 -0.290 30 20 DBED C=CCn1c([C@@H]2CNC(=O)C2)nnc1N1CCO[C@H](C(=O)O)C1 1588898018 QJZLDCRIRGRPOR-UWVGGRQHSA-N 321.337 -0.643 30 20 DBED C[C@@H]1CCN(C(=O)C(=O)N2CCO[C@@](C)(C#N)C2)C[C@@H]1C(=O)O 1589332295 GLVZUMFDJFIOEX-ZETOZRRWSA-N 323.349 -0.303 30 20 DBED CCN(CCC(=O)NC)c1cnc(C#N)c(-c2nn[nH]n2)n1 1590691908 PZQDZFHZHFJPPM-UHFFFAOYSA-N 301.314 -0.509 30 20 DBED N#Cc1ncc(N[C@H]2CC[C@@H](O)[C@@H](O)C2)nc1-c1nn[nH]n1 1592709831 DUEJPWCDSPBZRI-ZQARSLAVSA-N 302.298 -0.785 30 20 DBED C[C@@H](OC(=O)Cn1cc(C(=O)O)cn1)C(=O)N(C)CCC#N 1593541253 BYYGJKYTMHPEJY-SECBINFHSA-N 308.294 -0.115 30 20 DBED COC(=O)[C@H]1CN(C(=O)c2cc(C#N)ccn2)C[C@@H]1C(=O)O 1598818853 RQASLXKYSNRRRH-UWVGGRQHSA-N 303.274 -0.101 30 20 DBED C#CC1CCN(C(=O)C(=O)N2CCO[C@@H](CC(=O)O)C2)CC1 1609058201 RZMLAIAVLVGOCX-LBPRGKRZSA-N 308.334 -0.440 30 20 DBED C#C[C@@H](NS(=O)(=O)c1cnn(CC(=O)O)c1)[C@H]1CCCO1 1609058354 XPQJMXAKGGKGHW-GHMZBOCLSA-N 313.335 -0.573 30 20 DBED COC(=O)c1cc(S(=O)(=O)N2CCO[C@@H](C#N)C2)on1 1646028442 IKMURELAOPZXIB-ZETCQYMHSA-N 301.280 -0.626 30 20 DBED Cn1nnc2c(=O)n(CC(=O)NCc3ccc(C#N)cc3)cnc21 1652045751 FKDYOTINRZVGGU-UHFFFAOYSA-N 323.316 -0.287 30 20 DBED CCc1oncc1C(=O)NC[C@@H](NCC(=O)NCC#N)C1CC1 1752515747 POCXLLNQTCGIGG-GFCCVEGCSA-N 319.365 -0.025 30 20 DBED CC#CCN[C@H]1CC[C@H](NC(=O)Cn2ccc(O)nc2=O)CC1 1753584222 LFPXNIMQVWUBOG-JOCQHMNTSA-N 318.377 -0.011 30 20 DBED C#CCNC(=O)CNC[C@H](C)CNC(=O)C(C)(C)c1cnc[nH]1 1753637855 OWJXEFPZSYIYJM-LBPRGKRZSA-N 319.409 -0.221 30 20 DBED C=CCN1CC[C@H](N(C)CCN(C)C(=O)C(C)(C)C(N)=O)C1=O 1753855057 JLOJBUOHOFBYRS-LBPRGKRZSA-N 324.425 -0.325 30 20 DBED COc1ccc(C(=O)N[C@H](C)CNCC(=O)NCC#N)cn1 1754234887 XOYDKTUSHSTQEP-SNVBAGLBSA-N 305.338 -0.562 30 20 DBED CN(CCCNCCN1C(=O)CCC1=O)C(=O)C#CC1CC1 1754370334 ZAWIQASKGPKFLA-UHFFFAOYSA-N 305.378 -0.013 30 20 DBED C=CCn1cc(C(=O)N(C)CCCNCC(=O)N(C)C)nn1 1754402131 WKFDXUMDFTUMBT-UHFFFAOYSA-N 308.386 -0.396 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@@](C)(NC(=O)CNC(=O)OC)C1 1754666711 DVBOSKPWRKCVSR-XHDPSFHLSA-N 324.381 -0.939 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCC[C@@](C)(CNC(=O)CC(N)=O)C1 1754723610 LDBFFNCIFNLKFL-WBMJQRKESA-N 324.425 -0.229 30 20 DBED C=CCNC(=O)CN1CCC[C@](CO)(NC(=O)[C@@H](C)OC)C1 1754852710 MSHUZXBBVUZHME-DOMZBBRYSA-N 313.398 -0.733 30 20 DBED C=CCCNC[C@@H]1CN(C(=O)C2CC(=O)NC(=O)C2)CCO1 1755013830 WVNDRAKYUCRZAX-GFCCVEGCSA-N 309.366 -0.568 30 20 DBED C#CCNC(=O)CN1CCC[C@H](NC(=O)[C@@]23COC[C@@H]2C3)CC1 1755025241 QPGOGLFTPARNRF-ZQIUZPCESA-N 319.405 -0.257 30 20 DBED N#CCNCC1(NC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)CCOCC1 1755097171 YVDYUEOJXOQWHH-MELADBBJSA-N 323.393 -0.184 30 20 DBED C=CCN(C)C[C@@H]1CCCN1C(=O)CN1C(=O)CN(C)C1=O 1755201485 SDQXFLXBXAGFFK-LBPRGKRZSA-N 308.382 -0.011 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H]1C[C@H](CNCc2nnn(C)n2)C1 1755470823 IIXCXLOOPLTMNS-IJLUTSLNSA-N 306.370 -0.767 30 20 DBED C#CCNC[C@@H]1CC[C@H](NC(=O)CS(=O)(=O)N(C)C)C1 1755745955 FGDFTTFQWKGILL-NEPJUHHUSA-N 301.412 -0.615 30 20 DBED C#CCNC(=O)CN(C)C[C@H](O)CN(C)C(=O)c1cccn1C 1755798382 SQUSEFAWNOXZIM-ZDUSSCGKSA-N 320.393 -0.861 30 20 DBED C#Cc1ccc(C(=O)NCCN(CCOC)[C@H](C)C(N)=O)cn1 1755841517 MZZILELUAYEIIQ-GFCCVEGCSA-N 318.377 -0.385 30 20 DBED C#CCO[C@H](C)C(=O)N1CC([C@@H](C)NC(=O)Cn2cncn2)C1 1756161931 YLPYRBUVPCLSPT-VXGBXAGGSA-N 319.365 -0.721 30 20 DBED CC(C)C#CC(=O)NCCCOCCNC(=O)c1cnn[nH]1 1756399781 XJDJSIWFYDMTCZ-UHFFFAOYSA-N 307.354 -0.283 30 20 DBED C=C[C@](C)(O)CC(=O)N1C[C@H](O)[C@H](NC(=O)C2=CCOCC2)C1 1757167517 PZWRUHHMDMBLQN-WWGRRREGSA-N 324.377 -0.652 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(C(=O)c2cncn2C)C[C@@H]1O 1757169144 OVLFFPLGHHUZGS-YPMHNXCESA-N 304.350 -0.475 30 20 DBED C=CCOCC(=O)N(C)C[C@@H]1CCN1C(=O)[C@@H]1COCCO1 1757277907 CAMXYQGYMIJVOX-STQMWFEESA-N 312.366 -0.336 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CCCCN1C)CCO2 1783045889 DZQFVASEUXMUFU-RHSMWYFYSA-N 319.405 -0.066 30 20 DBED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc(C)[nH]3)[C@H]2C1 1784718118 DAUZBGQDUDHOEY-OBJOEFQTSA-N 316.361 -0.055 30 20 DBED N#CCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)COCCO)C2 1795858396 PCQCTQHEAHLXMX-CLLJXQQHSA-N 309.366 -0.063 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)c1ccco1)C2 1800452034 CTINNJBQKFTFGT-JLUCKKNBSA-N 318.329 -0.464 30 20 DBED C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C[C@@](C)(O)CC(=O)O)C2 1801601699 TZHQWMBTSHTGFE-AZKPJATDSA-N 322.361 -0.126 30 20 DBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CC(C)(C)O)CCO2 1835269837 BBUZZXXCYBXPSF-INIZCTEOSA-N 324.377 -0.763 30 20 DBED N#Cc1ccc(F)c(CNC(=O)Cn2ccc(=O)[nH]c2=O)c1 80788508 AHNDXGGEVVEAOD-UHFFFAOYSA-N 302.265 -0.136 30 20 DBED C=CCC[C@H](O)CN(CC)CC(=O)N[C@@H]1CCS(=O)(=O)C1 121090546 GOYHYYOQEDNCSJ-OLZOCXBDSA-N 318.439 -0.061 30 20 DBED N#Cc1ccc(S(=O)(=O)N2CCN(CCO)CC2)c(F)c1 156206128 VJILWKLDHRNSKG-UHFFFAOYSA-N 313.354 -0.004 30 20 DBED N#Cc1ccc(S(=O)(=O)N[C@@H](CCC(=O)O)C(=O)O)cn1 159544734 KSEJUKVJPHZLJV-VIFPVBQESA-N 313.291 -0.450 30 20 DBED C[C@H](O)CN1CCN(S(=O)(=O)c2ccc(C#N)nc2)CC1 187965553 PPPBGWCBVPJFOO-NSHDSACASA-N 310.379 -0.360 30 20 DBED C#CCOc1cc(F)ccc1NC(=O)C(=O)NC[C@H](O)COC 266538391 DGAMLUBSQOLXCP-NSHDSACASA-N 324.308 -0.100 30 20 DBED COC(=O)C[C@@H]1C(=O)NCCN1C[C@@H](O)c1ccc(C#N)cc1 268653406 GTYFFAXZGZZDJS-ZIAGYGMSSA-N 317.345 -0.045 30 20 DBED CN1CCN/C1=N\CCCN1CCN(c2ncccn2)CC1 285134074 QULVICZLJUVQNG-UHFFFAOYSA-N 303.414 -0.120 30 20 DBED C=C[C@H](CO)NC(=O)[C@@H]1CC(=O)N(C[C@H]2CCCN2CC)C1 290605878 NNCPYFOJDTWONV-MGPQQGTHSA-N 309.410 -0.018 30 20 DBED N#Cc1ccc(S(=O)(=O)NCC(=O)NC[C@H](O)C2CC2)cc1 291322648 PQMIOKBZZGDHPZ-ZDUSSCGKSA-N 323.374 -0.276 30 20 DBED C#CCN(C)CCCNC(=O)CN1C(=O)C(=O)N(CC=C)C1=O 294004621 PBAZBGBIAVVOAF-UHFFFAOYSA-N 320.349 -0.966 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(C)Cc2cc(C)on2)C1=O 299489855 FRMDNZRQEFEFDK-UHFFFAOYSA-N 320.305 -0.082 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCCc2nccs2)C1=O 299594147 VRZPWHFQOMZYIH-UHFFFAOYSA-N 322.346 -0.221 30 20 DBED CN1C(=O)CC[C@@H]1/C(O)=N/C[C@H]1CCCN1S(C)(=O)=O 329526282 HMPDCIYUNRMEME-NXEZZACHSA-N 303.384 -0.012 30 20 DBED CO[C@H]1CN(CC(=O)N/C(O)=N/CC(F)(F)F)C[C@H]1OC 331115417 NCIXXYHSPGVGPO-OCAPTIKFSA-N 313.276 -0.076 30 20 DBED CN(C)C(=O)COC1CN(S(=O)(=O)c2ccc(C#N)nc2)C1 331916589 BSLJVHFNBDEGHC-UHFFFAOYSA-N 324.362 -0.569 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCCS(=O)(=O)CC1 337093158 NFLUGVLJWNBSEI-LLVKDONJSA-N 323.440 -0.167 30 20 DBED C=CCNC(=O)NC(=O)CN(CC)[C@H](C)CS(C)(=O)=O 353267543 VAPBWKMLZSUVDP-SNVBAGLBSA-N 305.400 -0.247 30 20 DBED COC(=O)CN1CCN([C@@H](C)C(=O)NC2(C#N)CCC2)CC1 355297635 VAYKPHYIPHGXRI-LBPRGKRZSA-N 308.382 -0.272 30 20 DBED C=C[C@@H](CO)NC(=O)N[C@@H]1CCCN(c2ccnn2C)C1=O 359144493 OCXFUKSIRPOQOK-WDEREUQCSA-N 307.354 -0.238 30 20 DBED C[C@H]1CC(=NC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)NO1 378305120 GUYXBJDFELSPAI-RYUDHWBXSA-N 324.381 -0.594 30 20 DBED C#CCNC(=O)C1CCN(CCC(=O)N(C)CC(=O)OC)CC1 491621621 OIHILVZHJRRFOC-UHFFFAOYSA-N 323.393 -0.531 30 20 DBED N#Cc1cncc(S(=O)(=O)N2CCN3C(=O)OC[C@@H]3C2)c1 497228036 QFIGPWBMELZKCA-JTQLQIEISA-N 308.319 -0.222 30 20 DBED N#Cc1nc(NC(=O)CCNC(=O)[C@H]2CCCN2)[nH]c1C#N 567828141 AQKWKSLKGMHMJP-MRVPVSSYSA-N 301.310 -0.650 30 20 DBED O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)NCC#CCO 571343117 SLENMDSZQKEANI-UHFFFAOYSA-N 320.305 -0.494 30 20 DBED CN(CCC#N)S(=O)(=O)N1CC[C@H](C(=O)O)[C@H](C(=O)O)C1 583119049 KMVUUNMCPHTGGE-DTWKUNHWSA-N 319.339 -0.816 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@@H]1C(=O)NCC1(C)C 595351746 NQVGMAHWAWCSEM-VHSXEESVSA-N 302.400 -0.173 30 20 DBED CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)Nc1cccc(C#N)n1 596936305 XVGQVFZPXBYMDR-UWVGGRQHSA-N 310.335 -0.113 30 20 DBED COC(=O)CN(CC#N)S(=O)(=O)c1cc(C(=O)OC)no1 599236406 BOWIGFXFFWCDSO-UHFFFAOYSA-N 317.279 -0.852 30 20 DBED CCOC(=O)C1CCN(S(=O)(=O)NCC#CCO)CC1 601456144 BBERWNQQKSTFLX-UHFFFAOYSA-N 304.368 -0.908 30 20 DBED CCN1C(=O)[C@H]2CN(C(=O)c3c[nH]c(C#N)c3)CCN2C1=O 611472409 OZLZGLYAVHJKCK-LLVKDONJSA-N 301.306 -0.005 30 20 DBED CC#CC[C@@H](CO)NC(=O)C(=O)Nc1c2c(nn1C)CCC2 646951821 OJCXKGHWELRGAX-JTQLQIEISA-N 304.350 -0.262 30 20 DBED C=CCN(C(=O)c1ccn2nnnc2c1)[C@@H]1CCS(=O)(=O)C1 666927587 SYMAQMXQAMICPI-LLVKDONJSA-N 321.362 -0.060 30 20 DBED N#C[C@@H]1CN(C(=O)c2ccc(F)c(S(N)(=O)=O)c2)CCO1 729978894 WZTFHZMFYIXTKX-SECBINFHSA-N 313.310 -0.162 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)c2ccccc2-c2nn[nH]n2)CCO1 737683431 KXWOSLWYZHNMSJ-SECBINFHSA-N 320.334 -0.220 30 20 DBED C=C(Cl)CNC(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1 746281100 AVMXBNFQNINKCU-UHFFFAOYSA-N 321.742 -0.475 30 20 DBED CN1CCN(CCNc2cccc(S(N)(=O)=O)c2C#N)CC1 754972272 BCMKUTSHSHFLPX-UHFFFAOYSA-N 323.422 -0.135 30 20 DBED Cc1ccc(S(=O)(=O)NC(=O)Cn2cnc(C#N)n2)cc1 768163235 BODAXDPCPRKBSU-UHFFFAOYSA-N 305.319 -0.037 30 20 DBED CCOC(=O)CON=C(C(=O)N[C@H](C)COC)c1cc[nH]n1 772517956 LJSRDMMGGBSXTM-SECBINFHSA-N 312.326 -0.155 30 20 DBED C=CCS(=O)(=O)NC(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 772712577 DCIVVDDOXJLTEX-QSFUFRPTSA-N 324.358 -0.575 30 20 DBED C=CCNC(=O)CNC(=O)[C@@H](O)[C@H](O)c1nc2ccccc2[nH]1 779835383 VISOVUXYEPCIPI-STQMWFEESA-N 318.333 -0.624 30 20 DBED COC[C@@H](C)NC(=O)NC(=O)COC(=O)c1ccc(C#N)[nH]1 786093483 WTKZWBABRRMGFQ-MRVPVSSYSA-N 308.294 -0.096 30 20 DBED CC#CCOC(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1 786197246 LBEMTZGLIDKQTF-UHFFFAOYSA-N 300.292 -0.777 30 20 DBED N#CC1(NC(=O)CN2C(=O)c3cccnc3S2(=O)=O)CCC1 794432195 HHZHSIUJQAAQMC-UHFFFAOYSA-N 320.330 -0.211 30 20 DBED N#C[C@@H]1CNC[C@@H]1NC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O 834499726 MAIPBNNAGNWEDD-RHYQMDGZSA-N 304.350 -0.611 30 20 DBED C[C@@H](C[C@@H](C)N)NC(=O)C(=O)NCCNc1ncccc1C#N 843260169 VHXDIRMIKXCELZ-MNOVXSKESA-N 318.381 -0.277 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N1CCC(OCC(=O)O)CC1 844793940 VMIBDVKUJZCMDV-SNVBAGLBSA-N 319.383 -0.112 30 20 DBED C#CCSCCNC(=O)N[C@H]1CCN(S(C)(=O)=O)C1 845003980 VTKYPVNRBBTTGO-JTQLQIEISA-N 305.425 -0.314 30 20 DBED Cc1nn(CN2CCN(c3nccnc3C#N)C[C@H]2C)c(=O)o1 853502282 WGRKVHADLAPQBQ-SNVBAGLBSA-N 315.337 -0.025 30 20 DBED C#CC[C@@H](CO)NC(=O)COCCNC(=O)c1ccccc1 854544642 SYSCFERBVSTFPV-AWEZNQCLSA-N 304.346 -0.067 30 20 DBED C=C(C)CN(CC)C(=O)Cn1cc(CN2CCNC(=O)C2)nn1 883996995 WDHKJVCUAAFNLG-UHFFFAOYSA-N 320.397 -0.366 30 20 DBED C#CC1(O)CN(C(=O)[C@H](C)N2C(=O)NC3(CCCC3)C2=O)C1 890521861 WSJYLCSVZKIRAG-JTQLQIEISA-N 305.334 -0.554 30 20 DBED C#CC[C@H](NC(=O)Cn1c(=O)n(C)c2ccccc21)C(=O)O 910052449 YDFVCZLIONKGQR-JTQLQIEISA-N 301.302 -0.067 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](NC(=O)Cn2cncn2)C1 938884081 RZJMIIKULJBCKA-XQQFMLRXSA-N 319.365 -0.414 30 20 DBED CN1CC[C@H](C(=O)NC[C@H]2CCCN2C(=O)C#CC2CC2)C1=O 944009665 JHHMVTDQEMEWTD-ZIAGYGMSSA-N 317.389 -0.015 30 20 DBED O=C(NC[C@H]1CN(C(=O)C#CC2CC2)CCO1)c1ncc[nH]1 944582797 HQJJXYDGNKZWKE-LBPRGKRZSA-N 302.334 -0.220 30 20 DBED CO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1NC(=O)Cc1ncc[nH]1 946435738 ZIQFSHBYJQRMKT-GMTAPVOTSA-N 305.338 -0.546 30 20 DBED C=C(C)CN1CCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)CC1 951165389 FUEAYHCFLZNHPJ-UHFFFAOYSA-N 308.338 -0.873 30 20 DBED C#Cc1ccc(C(=O)N2CCC[C@H](NC(=O)C(N)=O)C2)cn1 951494970 SZMJKAXFESVLOJ-LBPRGKRZSA-N 300.318 -0.731 30 20 DBED C=CCN1C[C@@H](O)[C@H](CNC(=O)c2cccn3c(O)nnc23)C1 958587315 HZBHGKCYLZNBBQ-ZYHUDNBSSA-N 317.349 -0.357 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cccnn2)C1 958939149 RXVNBWFNQDCYEO-DLOVCJGASA-N 303.322 -0.720 30 20 DBED N#Cc1ccc(C(=O)N2C[C@H](O)[C@H](NC(=O)c3ccon3)C2)[nH]1 961743383 TXWOMPCCLQLXIN-NEPJUHHUSA-N 315.289 -0.510 30 20 DBED C=CCCn1cc(C(=O)NC2[C@@H]3CN(C[C@H](C)O)C[C@@H]23)nn1 962000185 JGOYMDHGSSEMSI-QJPTWQEYSA-N 305.382 -0.105 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 962123115 RVYAQQQCNMYEHU-FXAINCCUSA-N 301.306 -0.652 30 20 DBED Cc1nonc1C(=O)N1CC2(C1)CN(C(=O)[C@@H](C)C#N)CCO2 965479417 ZVKSXQQUWWTRGV-VIFPVBQESA-N 319.321 -0.409 30 20 DBED CN(C[C@@H]1CCCN(C(=O)C(N)=O)C1)C(=O)c1c[nH]c(C#N)c1 967401287 YKKNLBUGBZWFFF-JTQLQIEISA-N 317.349 -0.318 30 20 DBED C=CCN(C)[C@H]1CCN(C(=O)[C@H]2CCN(C)S2(=O)=O)C1 972527127 OYOMAXOPXYSKEF-NWDGAFQWSA-N 301.412 -0.261 30 20 DBED CC#CCN1C[C@H]2[C@H](CNC(=O)c3cn(C)c(=O)cn3)[C@H]2C1 978565551 VZQDXXPCZFTJHX-XYYAHUGASA-N 300.362 -0.289 30 20 DBED Cn1c(=O)ccn(CC(=O)N[C@@H]2CCC[C@@H](NCC#N)C2)c1=O 981124696 LQDZVMJILPAQDK-VXGBXAGGSA-N 319.365 -0.912 30 20 DBED C[C@@H](C#N)C(=O)N1CCCCC[C@H](NC(=O)Cn2ncnn2)C1 987128597 HHEOJKMQRKUWCA-RYUDHWBXSA-N 319.369 -0.280 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CN(C)C(=O)[C@H]2CNC(=O)N2)CC1 988626180 WCAYGMYKFLFLFS-CMPLNLGQSA-N 321.381 -0.476 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC(NC(=O)c2ccon2)C1 990354560 RLKFOJOKUPNOFU-ZDUSSCGKSA-N 302.334 -0.287 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2CN(C(C)=O)C[C@@H]2n2ccnn2)c1 990954684 WPWUUJZBWZSZFZ-CABCVRRESA-N 324.344 -0.144 30 20 DBED Cc1c[nH]nc1C(=O)N[C@@H]1CCN(C(=O)C#CC2CC2)C[C@H]1O 991469001 ISLHPACJQIZPLL-CHWSQXEVSA-N 316.361 -0.177 30 20 DBED C=CCN1CC[C@]2(NC(=O)Cn3ncn(C)c3=O)CCC[C@@H]12 991477150 XBZZXTPXFWUWEB-IUODEOHRSA-N 305.382 -0.119 30 20 DBED C=C1CCC(C(=O)N[C@H]2CCN(C(=O)CC(N)=O)C[C@@H]2O)CC1 991739026 AFCPKMAJOTYEQY-STQMWFEESA-N 323.393 -0.314 30 20 DBED CN1C(=O)CN(CC(=O)N[C@]23CCC[C@@H]2N(CC#N)CC3)C1=O 992397736 PBFFNLWUOXUMIM-NHYWBVRUSA-N 319.365 -0.483 30 20 DBED C[C@H]1C[C@@H](C(=O)NC2CN(C(=O)C#CC3CC3)C2)CC(=O)N1 995010876 DTSRAOUTBACDCK-CMPLNLGQSA-N 303.362 -0.359 30 20 DBED O=C1CC[C@H](NC2CCN(C(=O)C#CC3CC3)CC2)C(=O)N1 996395330 ZTPDOFNFVKFVLE-ZDUSSCGKSA-N 303.362 -0.214 30 20 DBED Cc1nc(C(=O)N(C)C2CC(NCC#N)C2)nn1-c1nc[nH]n1 999203255 XOYCCGMEZAFTOO-UHFFFAOYSA-N 315.341 -0.590 30 20 DBED O=C1CC[C@H](C(=O)NCC2CN(C(=O)C#CC3CC3)C2)CN1 1003079438 VPXZMVHOFPVZEO-ZDUSSCGKSA-N 303.362 -0.499 30 20 DBED CO[C@H]1C[C@H](C(=O)NC2CCN(CC#N)CC2)N(C(C)=O)C1 1003380241 YVOVYJIHTIGYRO-UONOGXRCSA-N 308.382 -0.274 30 20 DBED N#Cc1cc(C(=O)N2CC[C@@]3(NC(=O)C(N)=O)CCC[C@H]23)c[nH]1 1014445367 LYDZSNBGYKQHJJ-NHYWBVRUSA-N 315.333 -0.375 30 20 DBED N#Cc1cc(C(=O)NC[C@@H]2CC[C@H](NC(=O)C(N)=O)C2)c[nH]1 1015556418 YMVKMSKFCWUMMO-SCZZXKLOSA-N 303.322 -0.614 30 20 DBED Cn1nnc(C(=O)NCC2=CCN(C(=O)C#CC3CC3)CC2)n1 1017646443 OWZTUUWFSFEUCM-UHFFFAOYSA-N 314.349 -0.488 30 20 DBED C#CCCN1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CCS(=O)(=O)N1 1018281608 BCPFAQKEOGRQJH-FRRDWIJNSA-N 311.407 -0.623 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]2CN(C(=O)CCn3cnnn3)C[C@H]21 1022566548 GPEUGGZXDYWTHH-SDDRHHMPSA-N 317.353 -0.718 30 20 DBED Cn1nnc(CN2CCC[C@H]2CNC(=O)c2c[nH]c(C#N)c2)n1 1027833960 WREXYJDHJUAULN-LBPRGKRZSA-N 314.353 -0.196 30 20 DBED C#CCCN1CC[C@@H](CNC(=O)[C@H]2CC(=O)N(CCOC)C2)C1 1028578054 JMGIVSYPSIIAHX-GJZGRUSLSA-N 321.421 -0.057 30 20 DBED C=CCOc1cccnc1C(=O)NC1CN([C@@H](C)C(N)=O)C1 1031231607 DRFIZGWNYZCVFL-JTQLQIEISA-N 304.350 -0.066 30 20 DBED C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3[C@H]2CCNC2=O)cn1 1032739401 BTIIWLMPSWNSIZ-KKUMJFAQSA-N 310.357 -0.150 30 20 DBED C=CCn1cc(C(=O)N(C)[C@H]2CCN([C@H](C)C(N)=O)C2)nn1 1033484990 UXLGBGTYTJZKTB-MNOVXSKESA-N 306.370 -0.516 30 20 DBED Cc1cnc2nc(C(=O)NC[C@H]3CN(CC#N)CCO3)nn2c1 1035408699 SWOOJEPMFIPHDH-NSHDSACASA-N 315.337 -0.613 30 20 DBED CC#CCN1CCO[C@H](CNC(=O)c2ccc3nnnn3c2)C1 1035444671 WTXGXHIVAJNXAS-CYBMUJFWSA-N 314.349 -0.422 30 20 DBED C#CCCN1CCO[C@@H](CNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1035453831 GUDDUOCXHWHMAL-YHUYYLMFSA-N 322.405 -0.122 30 20 DBED N#CCN1[C@H]2CCC[C@H]1CN(C(=O)[C@@H]1CC(=O)NC(=O)N1)C2 1039934608 CNBWTAPLOMQHOI-DCAQKATOSA-N 305.338 -0.827 30 20 DBED CN1C[C@H](C(=O)N2CC[C@]3(CCCN(CC#N)C3)C2)NC1=O 1040327445 FWQFSFDWTBOWNS-DOMZBBRYSA-N 305.382 -0.152 30 20 DBED Cc1cc(C(=O)N2CC[C@@](O)(CNC(=O)[C@@H](C)C#N)C2)cnn1 1040762852 MDZPYLWZSRRPBL-ZUZCIYMTSA-N 317.349 -0.362 30 20 DBED Cc1cc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3CCOC3)C2)c(C#N)cn1 1040939015 IZPYTUVGDMEDJF-NJZAAPMLSA-N 316.361 -0.036 30 20 DBED N#Cc1cnc(N2C[C@@H](O)[C@H](NC(=O)C3=CCOCC3)C2)cn1 1040998582 ZAILWVHFBYSMMY-CHWSQXEVSA-N 315.333 -0.639 30 20 DBED C#CCC1(C(=O)N2CC(O)(CNC(=O)CC)C2)CCOCC1 1041040099 NELUKQSVBSOWRW-UHFFFAOYSA-N 308.378 -0.094 30 20 DBED O=C(NCC1(O)CN(C(=O)C#CC2CC2)C1)c1cnccn1 1041258454 VPDOESQFECIWKI-UHFFFAOYSA-N 300.318 -0.807 30 20 DBED C=CCCCC(=O)N1CC(O)(CNC(=O)C2=COCCO2)C1 1041328400 MXQDTRIORMLOOH-UHFFFAOYSA-N 310.350 -0.080 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)[C@@H](C)n2cccn2)C1 1041613714 VSPGTPYWMIRTLE-GFCCVEGCSA-N 322.365 -0.664 30 20 DBED C#CCCN1CC[C@H]2CCN(C(=O)C3CS(=O)(=O)C3)C[C@@H]21 1042075554 DGCCTDUOUHXPLA-JSGCOSHPSA-N 310.419 -0.023 30 20 DBED C#CCN1CC[C@@H]2CCN(C(=O)CN3C(=O)CN(C)C3=O)C[C@H]21 1042345236 KFCLMGCMQWMWES-CHWSQXEVSA-N 318.377 -0.564 30 20 DBED C[C@H](c1nnnn1C)N1CC(N(C)C(=O)c2cc(C#N)c[nH]2)C1 1042590108 UBMTXXNKNOBTRS-SECBINFHSA-N 314.353 -0.073 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)[C@H]2CCCCN2C)C1 1042943623 UZBISENHOLZOTN-CQSZACIVSA-N 321.421 -0.180 30 20 DBED Cc1nnsc1C(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042959407 YGENIRRVKTXHKB-UHFFFAOYSA-N 320.374 -0.437 30 20 DBED C=CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)[C@H](C)OCC)C1 1043571201 MLRCDPLVEXKEPM-RYUDHWBXSA-N 314.382 -0.308 30 20 DBED C=CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)CCN(C)C)C1 1043574075 CPZAYCYZNIBMIB-LBPRGKRZSA-N 313.398 -0.781 30 20 DBED CCc1cc(C(=O)N2CC(O)(CNC(=O)[C@H](C)C#N)C2)n(C)n1 1045547017 UTXBRKZZYGLXRL-SNVBAGLBSA-N 319.365 -0.555 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)c2cc(C3CC3)[nH]n2)C1 1045554393 DYGWJTHFKJQHKM-SECBINFHSA-N 317.349 -0.250 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)[C@@H]2CC23CC3)C1 1047148253 PANNICJOXYDJCT-NEPJUHHUSA-N 306.362 -0.486 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cc2ncc[nH]2)C1 1049316783 RDXYRDQQYRDNFD-RYUDHWBXSA-N 306.366 -0.052 30 20 DBED CCn1ccnc1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)C#N)C1 1049395789 YSWOJBSOYCLJBV-WOPDTQHZSA-N 319.365 -0.294 30 20 DBED C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1cn(CC(N)=O)nn1 1049919753 PMLCSYTXEGKZMF-OLZOCXBDSA-N 316.365 -0.925 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)[C@@H]1CCN(C(=O)COCC)C1 1049927658 APYPUOUXHXHWGS-QWHCGFSZSA-N 323.393 -0.484 30 20 DBED C#CCCN1CCOC[C@H]1CNC(=O)[C@H]1C[C@H]1C(=O)N(C)C 1051117910 KHYNOAKYHKTSPY-HZSPNIEDSA-N 307.394 -0.449 30 20 DBED N#CCN1CCOC[C@H]1CNC(=O)c1cncc(C(N)=O)c1 1051250112 JSFJLLWZBYYDLQ-GFCCVEGCSA-N 303.322 -0.865 30 20 DBED C#CCN1CCc2c(CNC(=O)[C@@H]3CNC(=O)N3)cccc2C1 1051298955 BRZIKRRXJKDBKT-HNNXBMFYSA-N 312.373 -0.025 30 20 DBED N#Cc1ccc(NC2CC(CNC(=O)[C@H]3CNC(=O)N3)C2)nn1 1052073053 SNRWLMCTRRLNQG-BOBPJJCASA-N 315.337 -0.664 30 20 DBED CCn1cc(C(=O)N2CC[C@@H](N3CCN(CC#N)CC3)C2)nn1 1052101923 AFOWHUCLSTYEJD-CYBMUJFWSA-N 317.397 -0.346 30 20 DBED C#CCOCCC(=O)N1C[C@@H](C)[C@H](CNC(=O)CC(=O)NC)C1 1052599867 QELUBXJMJILPOH-CHWSQXEVSA-N 323.393 -0.627 30 20 DBED C=CCCN1CC2(C1)CN(C(=O)Cn1cnnc1O)CCO2 1053227747 CIBRLBHXAPADOL-UHFFFAOYSA-N 307.354 -0.527 30 20 DBED C=CCCN1CC2(C1)CN(C(=O)[C@@H]1CC[C@H]1C(N)=O)CCO2 1053373207 MOTWSCAZPVOFHQ-CHWSQXEVSA-N 307.394 -0.013 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)CC3CS(=O)(=O)C3)CO2)C1 1053850750 DRPQJMOCTSUJMR-GFCCVEGCSA-N 312.391 -0.986 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)[C@H]3CCC(=O)N3C)CO2)C1 1053905059 VHIKXDJJJYHJPC-CHWSQXEVSA-N 305.378 -0.410 30 20 DBED C#CCO[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](CNC(=O)C(N)=O)C2 1054517972 RNKHFNARWCKKTJ-RVMXOQNASA-N 321.377 -0.604 30 20 DBED C=CCCOCC(=O)N1C[C@@H]2CN(C(=O)c3nc[nH]n3)C[C@@H]2C1 1055378364 FOBUVUQZBIUHGQ-TXEJJXNPSA-N 319.365 -0.072 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)[C@@H]1CC(=O)N(C)C1 1057851143 BAGNJURUNKJTFW-CYBMUJFWSA-N 323.393 -0.795 30 20 DBED C=C[C@](C)(CC)C(=O)NCCN(CCO)C(=O)c1cnn(C)n1 1058094535 MOXXBKSQXUZABW-OAHLLOKOSA-N 323.397 -0.032 30 20 DBED CN1CCO[C@@H](C(=O)N[C@@H]2CCN(c3ccc(C#N)nn3)C2)C1 1058316766 HGIACTDXPROWCS-CHWSQXEVSA-N 316.365 -0.626 30 20 DBED C[C@@H](C(=O)N[C@@H]1CCN(c2nccnc2C#N)C1)n1cncn1 1058324281 DIUBVCSXNGLAHI-WDEREUQCSA-N 312.337 -0.104 30 20 DBED N#Cc1cnccc1N1CC[C@H](NC(=O)C2CS(=O)(=O)C2)C1 1058456879 YWBIDLBLWRFRFV-LBPRGKRZSA-N 320.374 -0.307 30 20 DBED C=C[C@H](CC)CC(=O)N(CCO)CCNC(=O)c1ncn(C)n1 1058469108 ZEFYNVUPMWOYDO-GFCCVEGCSA-N 323.397 -0.032 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)[C@]1(F)CCOC1 1058493076 LVVCBHZAVPJVCG-MFKMUULPSA-N 301.318 -0.788 30 20 DBED C=CCCCC(=O)N(CCO)CCNC(=O)[C@@H]1CCC(=O)N1 1058624576 AIZDORCJDIMBNS-LBPRGKRZSA-N 311.382 -0.442 30 20 DBED C=CCCOCC(=O)NCCN(CCO)C(=O)CCN(C)C 1058708988 CLUUJTQHMTTXFT-UHFFFAOYSA-N 315.414 -0.532 30 20 DBED N#Cc1cnc(N[C@H]2C[C@H](NC(=O)[C@H]3CCC(=O)N3)C2)cn1 1059170528 CRILDKSFUSJETL-FXPVBKGRSA-N 300.322 -0.314 30 20 DBED O=C(C#CC1CC1)NC[C@H]1COCCN1C(=O)Cc1ccon1 1061569269 BTHRHTPLKLRGAR-AWEZNQCLSA-N 317.345 -0.026 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H]1COCCN1C(=O)c1cn[nH]c1 1061585492 XGKLWVSKYYLXRK-WCQYABFASA-N 320.349 -0.595 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)c1cncn1C 1061852657 KZVQNBNDCPDPBA-MNOVXSKESA-N 305.338 -0.463 30 20 DBED Cn1nnc(C(=O)N2C[C@@H]3CC[C@H](C2)N3c2ncccc2C#N)n1 1062015312 IVHAKMHYCFKVBH-TXEJJXNPSA-N 324.348 -0.030 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)[C@@H]2CN(C)C(=O)N2)CCC1 1064311122 XXLBJQBIPCIGOI-UWVGGRQHSA-N 307.354 -0.675 30 20 DBED C[C@]1(NC(=O)[C@H]2COCCO2)CCN(c2ccnc(C#N)n2)C1 1065211708 YMGIOPMDNVLITA-ABAIWWIYSA-N 317.349 -0.151 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CN(C(=O)C(=O)NCC2CC2)CCO1 1065533027 WPSJFSSFRLLECD-JQWIXIFHSA-N 322.365 -0.984 30 20 DBED C=CCC(C)(C)C(=O)N[C@@H]1COC2(C1)CN(C(=O)C(N)=O)C2 1068874382 ORRYXHTWFJNMSK-JTQLQIEISA-N 309.366 -0.440 30 20 DBED Cn1cc(C(=O)NCc2cnn3c2CN(CC#N)CC3)nc1O 1069872508 PYONIADNWYBKCU-UHFFFAOYSA-N 315.337 -0.409 30 20 DBED C#CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)Cc2nc[nH]n2)C1 1070072884 UVVAIHVUTWZBKV-NEPJUHHUSA-N 314.353 -0.996 30 20 DBED C#CCOCCC(=O)NCC1(NC(=O)[C@@H](C)C#N)CCOCC1 1070232498 KTWVHNJBBALCNC-ZDUSSCGKSA-N 321.377 -0.032 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC[C@@H](NC(=O)c2cnon2)C1 1070730813 UHEYAKOZQHZXHE-WDEREUQCSA-N 306.322 -0.171 30 20 DBED CC#CCCCC(=O)N1CCC[C@@H](NC(=O)Cn2cnnn2)C1 1071116825 JCAFPXFRNYDSCB-CYBMUJFWSA-N 318.381 -0.026 30 20 DBED C#CCN1CCN([C@@H]2CCCN(C(=O)[C@H](O)C(C)C)C2)C(=O)C1 1071264159 OZOLEONMAFHIJF-GDBMZVCRSA-N 321.421 -0.228 30 20 DBED C=CCOCC(=O)N[C@H]1CN(C(=O)CNC(=O)OC)C[C@H]1C 1071713948 KQGFIXHWLAZUOB-MNOVXSKESA-N 313.354 -0.492 30 20 DBED C=CCOCC(=O)N1CC(N2CCN(C(=O)C(F)F)CC2)C1 1073522123 RGVVPEORQRBAFK-UHFFFAOYSA-N 317.336 -0.191 30 20 DBED CNC(=O)CN1CCCO[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1 1073574073 IVSGMORGDSHGFJ-GFCCVEGCSA-N 319.365 -0.547 30 20 DBED C[C@@H](CCNC(=O)CN1C(=O)CCC1=O)NC(=O)[C@H](C)C#N 1076455013 SIDDIMSONKLDHV-ZJUUUORDSA-N 308.338 -0.694 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2n[nH]cc2C(F)(F)F)C1 1077115519 LQAKVBYJPRITGU-RKDXNWHRSA-N 302.256 -0.163 30 20 DBED CC(C)C#CC(=O)N[C@@H](C)CCNC(=O)Cn1ncn(C)c1=O 1077211228 LMOFUDWGQFJWLO-LBPRGKRZSA-N 321.381 -0.748 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3cnc(C)n3C2)C1 1077583879 QRTCFMCQTNYQBS-BPLDGKMQSA-N 302.378 -0.452 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)[C@]2(C)CCCS2(=O)=O)C1 1077818302 MUIOUYZNZOSOCJ-WZRBSPASSA-N 302.396 -0.699 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN2C(=O)C(C)C)C1 1078198192 BNVLVHFETZMGGU-HZSPNIEDSA-N 307.394 -0.572 30 20 DBED C#CCNC(=O)CC(=O)N(CC)C1CN(C(=O)CCOCC)C1 1079644707 PNQXYQVHMUVGAP-UHFFFAOYSA-N 323.393 -0.388 30 20 DBED C=CCCOCC(=O)N1CC(N(CC)C(=O)[C@H]2CCNC2=O)C1 1080216263 PBHXDJFCYQZFPT-ZDUSSCGKSA-N 323.393 -0.226 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CO)(NC(=O)c2ccnn2C)CC1 1080762133 NRXRUZVGTSOHKT-NSHDSACASA-N 319.365 -0.337 30 20 DBED C=CCO[C@H](C)C(=O)NC1(CO)CCN(C(=O)COC)CC1 1080895569 RXALDHRJDXQGMW-GFCCVEGCSA-N 314.382 -0.306 30 20 DBED C#Cc1ccc(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C(F)F)C2)cn1 1081153462 WWHPYKUVLLEZCA-CMPLNLGQSA-N 323.299 -0.123 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cn[nH]c2)C1 1081295926 XABCRVHPVDQDOQ-QWHCGFSZSA-N 304.350 -0.382 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=COCCC2)C1 1081333027 NVKGGGJLKATAFK-UONOGXRCSA-N 324.377 -0.181 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)CC(=O)N(C)C)C[C@H]1O 1081337606 GZRVEWXDBAVTMM-VXGBXAGGSA-N 311.382 -0.634 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2coc(C)n2)C[C@H]1O 1081346348 HFSNYQUIUDGZFK-WCQYABFASA-N 323.349 -0.265 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)Cn2cccn2)C[C@@H]1O 1081442415 VBIKXUXHIQZPMD-KGLIPLIRSA-N 318.377 -0.378 30 20 DBED CC(C)C#CC(=O)N1C[C@H](CNC(=O)c2cn(C)nn2)[C@@H](O)C1 1081452080 CZCULJFYUUKQHH-AAEUAGOBSA-N 319.365 -0.976 30 20 DBED CC(C)(C)C#CC(=O)NC[C@@H]1CN(C(=O)c2cnon2)C[C@@H]1O 1081476665 JTFALRYURNNYLS-PWSUYJOCSA-N 320.349 -0.332 30 20 DBED C=CC(C)(C)C(=O)NC[C@@H]1CN(C(=O)Cn2nccn2)C[C@@H]1O 1081642826 LMVNFNUOHDFJBZ-NEPJUHHUSA-N 321.381 -0.574 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H]2CN(Cc3ccn(C)n3)C[C@@H]21 1083026142 POTAVDRBVDIFGX-FPMFFAJLSA-N 303.366 -0.009 30 20 DBED C=CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CCC(=O)N(C)C1 1083285574 WDUOUMXLDBJKKV-MELADBBJSA-N 307.394 -0.048 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)Cc2ccc3c(c2)NC(=O)C3)C1 1083533331 KGNJCHBUCIFGDX-CABCVRRESA-N 313.357 -0.482 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)Cc2cnn3c2CCCC3)C1 1083541498 JXMCIEJASBOOKF-ZBFHGGJFSA-N 316.405 -0.054 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)Cc2cn3cc(F)ccc3n2)C1 1083674191 QSYGWJHXPOLYGG-OLZOCXBDSA-N 317.324 -0.299 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2ccc(N3CCCC3)nn2)C1 1083937582 DPMPHILLYCGESW-OLZOCXBDSA-N 316.365 -0.625 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)c2c(OC)ncnc2OC)C1 1084118813 PCOGKEZSGYAPQA-MNOVXSKESA-N 322.365 -0.155 30 20 DBED CC1(C)[C@H](NC(=O)Cn2cnnn2)[C@H]2CCCN(CC#N)[C@H]21 1087271172 NHQJZLNHGNVSRL-RAIGVLPGSA-N 303.370 -0.198 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)CNC(N)=O)Nc1cncc(C#N)n1 1089214968 LVSZPZZLNXTNAB-DTWKUNHWSA-N 305.342 -0.288 30 20 DBED CCN(c1nccnc1C#N)[C@H](C)CNC(=O)Cn1cncn1 1089647686 JIDKLAWOMHFMAG-LLVKDONJSA-N 314.353 -0.029 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2nnn(C(C)(C)C)n2)[C@@H](O)C1 1090278579 DVYARYBNNVCFRW-NEPJUHHUSA-N 320.397 -0.384 30 20 DBED CCCN(C)CC(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1091130129 QCJKKKXIVJYLOD-OLZOCXBDSA-N 318.381 -0.644 30 20 DBED CO[C@@H](C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O)C(C)C 1091179107 HGGPMEXXYKTQSI-MBNYWOFBSA-N 319.365 -0.315 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCC1CC(NCc2nnnn2C)C1 1091237911 CYWYTUWWLHRFCB-TUUUFIMRSA-N 320.397 -0.214 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCN(c2cnc(F)cn2)C[C@H]1O 1092163615 DSJXKKFKKMRXTQ-VXGBXAGGSA-N 322.340 -0.289 30 20 DBED CCC(=O)NCC(=O)N[C@H]1[C@@H]2CN(c3cnc(C#N)cn3)C[C@@H]21 1093234202 ITGCONWQHNRWHE-HBYGRHMLSA-N 314.349 -0.575 30 20 DBED N#CCN1CC(OC2CCN(C(=O)[C@@H]3CC[C@@H]3C(N)=O)CC2)C1 1093558118 ZZNSRYURSCBERZ-UONOGXRCSA-N 320.393 -0.287 30 20 DBED N#Cc1ccc(NCCNC(=O)c2cc(=O)n3[nH]cnc3n2)nc1 1093746935 UGNXJRRZAOVYJE-UHFFFAOYSA-N 324.304 -0.474 30 20 DBED N#Cc1ccc(NCCCNC(=O)[C@@H]2CCS(=O)(=O)N2)nc1 1094438617 IAISDJTYUCHQBN-NSHDSACASA-N 323.378 -0.437 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)Cc3ncc[nH]3)CC2=O)C1 1094804451 WXSVEPFWAIPXPW-LLVKDONJSA-N 303.366 -0.461 30 20 DBED CNC(=O)NCC(=O)N[C@H]1CCCN(c2nccnc2C#N)C1 1096239584 KCCKHXNVLFLINW-JTQLQIEISA-N 317.353 -0.638 30 20 DBED CNS(=O)(=O)CC(=O)N[C@H]1C[C@H](Nc2ccc(C#N)nc2)C1 1097031859 ABNPRPZGQJFRPX-HAQNSBGRSA-N 323.378 -0.438 30 20 DBED C[C@H](CNC(=O)[C@@H]1CCNC(=O)C1)N=c1cc[nH]c(C#N)n1 1097773540 GGIKGRMNDLMJJF-NXEZZACHSA-N 302.338 -0.787 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CCCN1C(N)=O)Nc1nccnc1C#N 1097918787 BJWCDHHYUDKYAN-ONGXEEELSA-N 317.353 -0.192 30 20 DBED C[C@@H](CNC(=O)CN1CCCNC1=O)Nc1nccnc1C#N 1098420131 HBOHZKKMGDPWBT-JTQLQIEISA-N 317.353 -0.320 30 20 DBED C=CCN1C[C@@H]2CCC[C@]2(NC(=O)CN2C(=O)CNC2=O)C1 1099152352 GQIXEUDXZIFXNH-NHYWBVRUSA-N 306.366 -0.305 30 20 DBED C#CCN1C[C@H](NC(=O)CCNC(N)=O)CC2(CCOCC2)C1 1099597021 QPROMHJNNQDSCV-CYBMUJFWSA-N 322.409 -0.335 30 20 DBED Cc1cc(C#N)nc(N(C)CCNC(=O)[C@@H]2CN(C)CCO2)n1 1099997153 ZILRDAGUBCMESB-ZDUSSCGKSA-N 318.381 -0.460 30 20 DBED C=CCC(C)(C)C(=O)N[C@H]1CCN(Cc2nnnn2C)C[C@@H]1O 1100020681 RAINKBHRQUOCHU-RYUDHWBXSA-N 322.413 -0.136 30 20 DBED C=CCCN1CC[C@@H](NC(=O)CCn2cnccc2=O)[C@H](O)C1 1100051077 RSBQJPUKZDRMIG-ZIAGYGMSSA-N 320.393 -0.239 30 20 DBED CCn1nncc1C(=O)NCCN(C)c1ccnc(C#N)n1 1100052376 NEKCQICIXNGTIJ-UHFFFAOYSA-N 300.326 -0.174 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CCc2cncn2C)[C@@H](O)C1 1100094885 UNOFKKIPGSJDGH-CABCVRRESA-N 304.394 -0.073 30 20 DBED C#CCC1(C(=O)N[C@@H]2CCN(CC(N)=O)C[C@@H]2O)CCCCC1 1100136436 MPTOJYVUBQUSJP-KGLIPLIRSA-N 321.421 -0.003 30 20 DBED C=CCCOCC(=O)N[C@@H]1CCN(CCOCCO)C[C@H]1O 1100139784 WOGRPDDUKJUDMC-ZIAGYGMSSA-N 316.398 -0.861 30 20 DBED CN(CCNC(=O)C[C@@H]1CCC(=O)NC1)c1cncc(C#N)n1 1100182783 SEZVXUUACCRNPG-NSHDSACASA-N 316.365 -0.183 30 20 DBED C[C@H](C(=O)NCCN(C)c1ccc(C#N)nn1)[C@H]1CCC(=O)N1 1100333262 BRKDWKWDQSIMOA-CMPLNLGQSA-N 316.365 -0.185 30 20 DBED C[C@H](C(=O)NCCN(C)c1nccnc1C#N)S(C)(=O)=O 1100394147 OLKSJAVRUQXSNG-SECBINFHSA-N 311.367 -0.666 30 20 DBED C[C@@]12CN(CC(=O)NCC#N)C[C@@H]1CN(C(=O)c1cc[nH]n1)C2 1101130567 HVTNEWZTFNSJQB-ABAIWWIYSA-N 316.365 -0.557 30 20 DBED CCc1nc(C#N)cc(NCCN(C)C(=O)CNC(C)=O)n1 1101476787 MWPGPEIVPZKAND-UHFFFAOYSA-N 304.354 -0.083 30 20 DBED COC[C@@H](O)CN1C[C@@H](C)[C@H](CNC(=O)CSCC#N)C1 1101736189 RTUXZIADPCNOCA-UPJWGTAASA-N 315.439 -0.065 30 20 DBED CN(CCNc1cnc(C#N)cn1)C(=O)[C@]1(C)CCNC1=O 1101959119 GOPANSMSYGRECZ-CQSZACIVSA-N 302.338 -0.255 30 20 DBED CN(CCNc1ccc(C#N)nn1)C(=O)[C@]1(C)CCNC1=O 1101959218 KMXPKQCDIHXLNJ-CQSZACIVSA-N 302.338 -0.255 30 20 DBED C#CCCN1C[C@@H](C)[C@H](CNC(=O)CCn2ncn(C)c2=O)C1 1102185765 RZGOGOPRMORKPN-ZIAGYGMSSA-N 319.409 -0.321 30 20 DBED C=C(C)CN(CC)C(=O)CN1C[C@@H](C)[C@H](CNC(=O)C(N)=O)C1 1102309920 LCPYIOCTZVVNFY-CHWSQXEVSA-N 324.425 -0.420 30 20 DBED C[C@H](CNc1cncc(C#N)n1)N(C)C(=O)[C@H]1COCCN1C 1104526740 HDFDXBLEGDDYPA-DGCLKSJQSA-N 318.381 -0.062 30 20 DBED C#CCCNCc1cn(C2CN(C(=O)Cn3ccnc3)C2)nn1 1105382177 AASRMHSDRAEOGK-UHFFFAOYSA-N 313.365 -0.329 30 20 DBED CN(CCN(C)c1ccncc1C#N)C(=O)CCNC(N)=O 1105400473 CWDPQERTVTVVEN-UHFFFAOYSA-N 304.354 -0.094 30 20 DBED N#Cc1cnc(NC[C@H]2CCC[C@@H]2NC(=O)CNC(N)=O)cn1 1105654195 GTHOOVISNKYLPH-KOLCDFICSA-N 317.353 -0.287 30 20 DBED Cn1ncc2c(NC[C@H](O)CNC(=O)C#CC3CC3)ncnc21 1105825712 NVKLFLUNBMLLGB-LLVKDONJSA-N 314.349 -0.334 30 20 DBED CN(C)CCCCC(=O)NC[C@@H](O)CNc1ccc(C#N)nn1 1105908614 UYEVACOCTITPKV-ZDUSSCGKSA-N 320.397 -0.031 30 20 DBED Cn1c(C(=O)NC[C@@H](O)CNc2ncccc2C#N)cnc1O 1106051840 NIPZKHVCWUYUOA-JTQLQIEISA-N 316.321 -0.405 30 20 DBED N#Cc1nccnc1NC[C@H](O)CNC(=O)c1csnn1 1106053617 CYSYPVVPHKNOPN-ZETCQYMHSA-N 305.323 -0.597 30 20 DBED N#Cc1nccnc1NC[C@@H](O)CNC(=O)Cc1cscn1 1106127211 VVCCQXKWMMKYEO-JTQLQIEISA-N 318.362 -0.064 30 20 DBED CC[C@@H](NC(C)=O)C(=O)N[C@@H](C)CCN=c1cc[nH]c(C#N)n1 1106581667 BFQWOKOVRYCSEI-CMPLNLGQSA-N 318.381 -0.008 30 20 DBED CCN(CCNc1cnc(C#N)cn1)C(=O)[C@@H]1CN(C)CCO1 1106709688 ABIZTFNKSYDZIL-ZDUSSCGKSA-N 318.381 -0.061 30 20 DBED CN1CCOC[C@H]1C(=O)NC/C=C\CNc1cncc(C#N)n1 1107161548 JYXICWWNAQXSMR-ZRMMWKCHSA-N 316.365 -0.237 30 20 DBED CN1CCOC[C@@H]1C(=O)NC/C=C\CNc1nccnc1C#N 1107162829 VPYBKEWKUIOYJL-XQJDBVBESA-N 316.365 -0.237 30 20 DBED C[C@@]1(C(=O)NCc2cn(C3CN(CC#N)C3)nn2)CCOC1 1107222568 OOMRHQARETVWKE-CQSZACIVSA-N 304.354 -0.299 30 20 DBED CNC(=O)NCC(=O)NC/C=C\CNc1cncc(C#N)n1 1107572147 SVPAKIVDMRTHLM-IHWYPQMZSA-N 303.326 -0.638 30 20 DBED C=CCCN1CCO[C@@](C)(CNC(=O)[C@@H]2CN(C)C(=O)N2)C1 1108119568 PJVQTAKAVMHYAO-WFASDCNBSA-N 310.398 -0.207 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)c2cnn(C)c2OC)C1 1108369075 JJMBOYCETJMWFE-HNNXBMFYSA-N 306.366 -0.117 30 20 DBED C[C@@H](CN(C)c1cncc(C#N)n1)NC(=O)[C@H]1CN(C)CCO1 1108905989 UMOOKBARQICVLB-WCQYABFASA-N 318.381 -0.380 30 20 DBED C[C@H](CN(C)c1cnc(C#N)cn1)NC(=O)C[C@@H]1CCNC1=O 1109114589 MHPJWONWMYFGSX-MNOVXSKESA-N 316.365 -0.185 30 20 DBED CN(CCCNc1cnc(C#N)cn1)C(=O)[C@H]1C[C@H]1C(N)=O 1109624659 WIEZYQWKRCVDGK-MNOVXSKESA-N 302.338 -0.270 30 20 DBED CC(=O)NCC(=O)N[C@@H](CNc1nccnc1C#N)C1CC1 1109781651 ZTAUEVUNNOEYNM-LBPRGKRZSA-N 302.338 -0.209 30 20 DBED N#Cc1cnc(NC2(CNC(=O)Cn3cnnn3)CC2)c(F)c1 1110053977 FBKQJWGTPPIORH-UHFFFAOYSA-N 316.300 -0.160 30 20 DBED Cc1cc(=NC2(CNC(=O)CCNC(N)=O)CC2)c(C#N)c[nH]1 1110143348 RNJVNKIBBOACDO-UHFFFAOYSA-N 316.365 -0.197 30 20 DBED N#Cc1ccc(NC2(CNC(=O)C[C@H]3CCNC3=O)CC2)nn1 1110250461 KDJFWWAKYLNUGW-SNVBAGLBSA-N 314.349 -0.065 30 20 DBED N#Cc1nccc(NC2(CNC(=O)Cn3cnnn3)CCC2)n1 1111754630 MXCSGDOVUNJKAY-UHFFFAOYSA-N 313.325 -0.514 30 20 DBED COC(=O)NCC(=O)N1C[C@H](C)[C@@H](Nc2cnc(C#N)cn2)C1 1112298651 YYEWEFHIDLWEGN-ONGXEEELSA-N 318.337 -0.037 30 20 DBED C[C@H]1C[C@H](NC(=O)CC(N)=O)CCN1c1cnc(C#N)cn1 1112459274 GZLRLDWOFBBCHE-VHSXEESVSA-N 302.338 -0.303 30 20 DBED Cc1ccc(C(=O)N2CCN(CC(=O)NCC#N)CC2)nn1 1112832262 NRLWPIQXXCVIKW-UHFFFAOYSA-N 302.338 -0.817 30 20 DBED C[C@@H](N=c1cc[nH]c(C#N)n1)[C@@H](C)NC(=O)CCc1nc[nH]n1 1112966331 OXKJYJGVYLYKTQ-NXEZZACHSA-N 314.353 -0.174 30 20 DBED C[C@H](CNC(=O)Cn1cnnn1)N(C)c1ccc(C#N)nc1 1113486526 BAUIJQYGSSXIQB-SNVBAGLBSA-N 300.326 -0.419 30 20 DBED CNC(=O)CC(=O)N[C@H]1CN(c2nccnc2C#N)CC[C@@H]1C 1114010765 FFIOBFICJLRLDE-JQWIXIFHSA-N 316.365 -0.185 30 20 DBED C=CCOCC(=O)NC1[C@H]2CN(Cc3ncnn3CCF)C[C@H]12 1114054329 NIGXPCNJFGTMJY-RYUDHWBXSA-N 323.372 -0.003 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC(F)(F)F)C[C@@H]21 1114063291 ANOKCYDPLBNACL-REIXXSIJSA-N 318.299 -0.129 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3ccnc(O)c3)[C@H]2C1 1114139730 UFDCJVZBOAUTRM-JYAVWHMHSA-N 316.361 -0.251 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)[C@H]3COCCN3C)[C@@H]2C1 1114146773 HXTZMVMXSXGHEL-MGPQQGTHSA-N 307.394 -0.987 30 20 DBED C=CCOCCN1C[C@@H]2C(NC(=O)CCNC(=O)NC)[C@H]2C1 1114226652 QTVQBBGRLRZPPB-RYUDHWBXSA-N 310.398 -0.446 30 20 DBED CNC(=O)NC(=O)CN1C[C@H]2[C@H](NC(=O)C#CC(C)C)[C@H]2C1 1114240315 VEABSEWUECIDKM-YABSGUDNSA-N 306.366 -0.852 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3nn(C)cc3C)[C@H]2C1 1114247865 PZZGZPBUBUCENO-JYAVWHMHSA-N 315.377 -0.862 30 20 DBED CC(C)C#CC(=O)NC1[C@@H]2CN([C@@H]3CCC(=O)NC3=O)C[C@@H]12 1114247946 ROKNQBGHTKXPDX-IJLUTSLNSA-N 303.362 -0.503 30 20 DBED C#CCOCCC(=O)N[C@H]1[C@@H]2CN([C@H](C)c3nncn3C)C[C@@H]21 1114268363 KHDRFXMQHYGRRG-CXTNEJHOSA-N 317.393 -0.038 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H]1[C@@H]2CN(Cc3cn(C)nn3)C[C@@H]21 1114270228 BOLBODNLWRLFIU-ZZVYKPCYSA-N 303.366 -0.600 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@H]3CC[C@@H](C)O3)[C@H]2C1 1114858783 HZLHHYWUAAFSCR-VVSAWPALSA-N 305.378 -0.650 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)Cc3cnc[nH]3)[C@H]2C1 1114889897 ZUTGQLSRGABOIO-MUYACECFSA-N 317.393 -0.311 30 20 DBED N#CCNC(=O)CN1C[C@@H]2C(NC(=O)Cc3ccco3)[C@H]2C1 1114993809 BBYTZJRCAMDFIX-RYUDHWBXSA-N 302.334 -0.492 30 20 DBED CCc1noc(COCC(=O)NC2[C@@H]3CN(CC#N)C[C@@H]23)n1 1115101196 QPSSIKNKJABNCH-NXEZZACHSA-N 305.338 -0.281 30 20 DBED CNC(=O)C1(C(=O)NC2[C@H]3CN(CC#CCOC)C[C@H]23)CCC1 1115155867 CXCNCCMYAKGPDS-STQMWFEESA-N 319.405 -0.401 30 20 DBED C[C@H](NC(N)=O)C(=O)N(C)C[C@@H](C)Nc1cncc(C#N)n1 1115674785 PVACEGIAYQXQKP-BDAKNGLRSA-N 305.342 -0.336 30 20 DBED N#CC1CCC(CNC(=O)C(=O)N2CCO[C@H](C(N)=O)C2)CC1 1117693840 JQSFZMPESJOZDM-MCIGGMRASA-N 322.365 -0.855 30 20 DBED COC[C@@H](C)CC(=O)NC[C@H](CO)Nc1nccnc1C#N 1121984565 JFBAPEIADYVHAT-WDEREUQCSA-N 307.354 -0.090 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H](CO)Nc1ncnc2c1CCC2 1122037104 UCTUWYYGDOMEBP-NEPJUHHUSA-N 318.377 -0.107 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)[C@H]2CCCC(=O)N2)cn1 1122176777 BCFQWSOIVZCADP-QWHCGFSZSA-N 317.349 -0.489 30 20 DBED C#Cc1cncc(C(=O)NC[C@H](CO)N=c2cc[nH]c(C#N)n2)c1 1122507472 AQYXKORDOQXDJQ-CYBMUJFWSA-N 322.328 -0.651 30 20 DBED C=CC(C)(C)C(=O)N(C)C[C@H](O)CNc1ccc2nnnn2n1 1124684043 YDOSMBUQNPZMQB-SNVBAGLBSA-N 319.369 -0.037 30 20 DBED CC(=O)NCC(=O)N(C)C[C@H](O)CN(C)c1ccc(C#N)cn1 1124940696 ZDRSXZCQNXWWLW-CYBMUJFWSA-N 319.365 -0.655 30 20 DBED C=C[C@](C)(O)CC(=O)NCCNCCN1CCCS1(=O)=O 1126365043 DZQIQYOLRLNKGR-ZDUSSCGKSA-N 319.427 -0.945 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCNCC(=O)N(CC)CC 1129770114 BAHNMUZFICZXAS-AWEZNQCLSA-N 308.426 -0.342 30 20 DBED COCC#CCNCCNC(=O)c1cncc2ncn(C)c12 1129845984 MTGGGWZBEUWOIJ-UHFFFAOYSA-N 301.350 -0.063 30 20 DBED CNC(=O)CN1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H](C)C#N)C1 1130361209 ITAAVGSDSHAUAX-QWRGUYRKSA-N 318.381 -0.279 30 20 DBED C#CCN1CC[C@]2(C1)CN(C(=O)CCNC(=O)NC)C[C@@H](C)O2 1131657293 HXMSRKWGAJEWKU-CJNGLKHVSA-N 322.409 -0.370 30 20 DBED C=CCOCC(=O)N[C@@H]1CC[C@@H](C)N(Cc2nnn(C)n2)C1 1131947860 YINRMXWHMVHFMP-VXGBXAGGSA-N 308.386 -0.118 30 20 DBED N#CCNC(=O)CNCCNC(=O)Cc1cc(F)ccc1F 1133033945 ULEYIJPCOWMSIF-UHFFFAOYSA-N 310.304 -0.147 30 20 DBED C=CCOCCN[C@H](C)C[C@@H](C)NC(=O)CNC(=O)NC 1134525056 VQPDIWOIDZRTTN-VXGBXAGGSA-N 300.403 -0.009 30 20 DBED COCC#CCN[C@@H](C)C[C@@H](C)NC(=O)c1c[nH]c(=O)cn1 1135325203 JZLMATKRZLEACR-NWDGAFQWSA-N 306.366 -0.094 30 20 DBED CC#CCN[C@@H](C)C[C@@H](C)NC(=O)CCCS(N)(=O)=O 1135326648 YXHQVDJTHODDKA-NWDGAFQWSA-N 303.428 -0.049 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)c1ccncn1 1135542655 NKOPGFYTXSBBGQ-SNVBAGLBSA-N 320.353 -0.804 30 20 DBED CC#CCN[C@@H](C)C[C@@H](C)NC(=O)CN1C(=O)C(=O)N(C)C1=O 1135594334 ZHIXXRKNPSNCIJ-WDEREUQCSA-N 322.365 -0.697 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)Cc1cncn1C 1135943818 AMSKZGZELPKDCS-CHWSQXEVSA-N 319.409 -0.415 30 20 DBED C=CCNC(=O)CN1CCCO[C@H](CNC(=O)c2cnco2)C1 1150054193 PLLFIMXVNNYZMR-GFCCVEGCSA-N 322.365 -0.203 30 20 DBED Cn1cc(C(=O)NCCCNCC(=O)NCC#N)c(C2CC2)n1 1158965900 LOOZAXZUOPGNFU-UHFFFAOYSA-N 318.381 -0.353 30 20 DBED Cn1nc(C2CC2)cc1C(=O)NCCCNCC(=O)NCC#N 1159129832 XZXKKTNKNHTVSL-UHFFFAOYSA-N 318.381 -0.353 30 20 DBED C#CCCN1CC=C(CCNC(=O)C[C@@H]2NC(=O)NC2=O)CC1 1160386247 PDJYCLQJFGKIJQ-ZDUSSCGKSA-N 318.377 -0.254 30 20 DBED CCCc1n[nH]cc1C(=O)NCCCNCC(=O)NCC#N 1161671905 APKXVOUGDWYTOC-UHFFFAOYSA-N 306.370 -0.289 30 20 DBED C#CCNC(=O)CNCCCNC(=O)CCCCc1cnn[nH]1 1163213453 QJARUTKOOVFDNF-UHFFFAOYSA-N 320.397 -0.637 30 20 DBED C#CCOCCC(=O)NCCC1(CNCC(=O)N(C)C)CC1 1164504840 KKFOQTWYXDIBGJ-UHFFFAOYSA-N 309.410 -0.009 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@H](C)[C@@H]1CCC(=O)N1 1167077032 FXIZWHABDJOFNU-NEPJUHHUSA-N 310.398 -0.701 30 20 DBED C#CCNC(=O)CN1CCO[C@H]2CCN(C(=O)C(C)C)C[C@H]21 1176912890 ODZNNXLDAXVFKC-KGLIPLIRSA-N 307.394 -0.307 30 20 DBED N#CCSCC(=O)N1CC[C@@H]2OCCN(CC(N)=O)[C@@H]2C1 1176929770 MEIZFLYCXKXRND-MNOVXSKESA-N 312.395 -0.970 30 20 DBED C#CCCN1CCO[C@H]2CCN(C(=O)CC(=O)NCC)C[C@@H]21 1176995948 ZHEXHWPHVOKOTO-KBPBESRZSA-N 307.394 -0.162 30 20 DBED C#CCNC(=O)CNCCCCCCNC(=O)[C@H]1CCN(C)C1 1180259484 IOJMKXOGWOARQQ-HNNXBMFYSA-N 322.453 -0.046 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)c2c(C)cnn2C)C1 1184962200 QZWYPFKHIMAPGE-GFCCVEGCSA-N 305.382 -0.165 30 20 DBED C#CCNCc1cn([C@H]2CCCN(C(=O)CNC(C)=O)C2)nn1 1185856273 OWLNBHMQRIBTLF-AWEZNQCLSA-N 318.381 -0.700 30 20 DBED C=C(Cl)CN[C@@H]1CCN(C(=O)CNS(=O)(=O)N(C)C)C1 1185958851 CSFAIDZUZGVGMA-SNVBAGLBSA-N 324.834 -0.675 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)nc1 1187201951 PDHZZOGULVYGDN-CYBMUJFWSA-N 311.345 -0.493 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)Cc3ccc[nH]3)[C@@H]2C1 1190262741 HTNSNXIIRPVLAY-DZGCQCFKSA-N 314.389 -0.161 30 20 DBED C#CCCN(C)[C@H]1CCN(C(=O)CN2CCCS2(=O)=O)C1 1190501666 INVQVODAKVTURY-ZDUSSCGKSA-N 313.423 -0.422 30 20 DBED CC(C)[C@@H](C(=O)N1CC[C@H](N(C)CC(=O)NCC#N)C1)N(C)C 1190775999 LNUNLTJXHUJVKV-ZFWWWQNUSA-N 323.441 -0.255 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)CCN(C)CC)C1 1193278633 IGZBSXRAJQQISC-AWEZNQCLSA-N 308.426 -0.390 30 20 DBED C=C(C)CN1CCCN(C(=O)CNC(=O)CNC(C)=O)CC1 1196325285 NXOBUECOLBDPLQ-UHFFFAOYSA-N 310.398 -0.651 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)CC(C)(C)C)C1 1196716301 FWEPPCCNSFUSMN-BFHYXJOUSA-N 323.437 -0.031 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)c2ncoc2C)CC1 1199552701 MALHDQIJOPPLRR-UHFFFAOYSA-N 304.350 -0.073 30 20 DBED C#CCCCC(=O)N1CCCO[C@H](CN[C@H]2CCNC2=O)C1 1200403791 AEYARBQMXJJXDG-KGLIPLIRSA-N 307.394 -0.115 30 20 DBED C#CCOCCC(=O)N1CCCO[C@H](CN[C@H]2CCNC2=O)C1 1200499844 CDVWGOSRPGMQHS-KGLIPLIRSA-N 323.393 -0.878 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCCN(C(=O)c2cncn2C)C1 1208504298 IJLSMIUKGBHZAD-STQMWFEESA-N 317.393 -0.248 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)c2cnn(C)n2)[C@H](C)C1 1209446806 NOKANJIWRBFNRG-NQBHXWOUSA-N 318.381 -0.997 30 20 DBED CO[C@@H]1CN(Cc2cnnn2C)C[C@H]1NC(=O)C#CC(C)C 1212234371 ZCGYLNLAYJYTNZ-ZIAGYGMSSA-N 305.382 -0.210 30 20 DBED C=CCOCCN1C[C@@H](NC(=O)Cn2ccnc2)[C@H](OC)C1 1213977574 NSAZIEMCXWPDLL-ZIAGYGMSSA-N 308.382 -0.099 30 20 DBED Cc1c(C(=O)N2C[C@@H](NCC(=O)NCC#N)[C@H](C)C2)cnn1C 1214139834 MBWOVMHRQQNONQ-ZWNOBZJWSA-N 318.381 -0.582 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@@H](NCc2cnn(C)n2)[C@H](C)C1 1214602129 KQBRWHQIXHVOPO-YRGRVCCFSA-N 305.382 -0.210 30 20 DBED C=CCCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2ncnn2C)C[C@@H]1O 1219324239 KHNDZTZNQMXCLD-XQQFMLRXSA-N 323.397 -0.542 30 20 DBED CC(C)(C)C#CC(=O)N[C@@H]1CN([C@H]2CCCNC2=O)C[C@@H]1O 1219596238 LCBKZHCEEZPAGY-AGIUHOORSA-N 307.394 -0.524 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C[C@@H]2CC=CCC2)C1 1220139628 QRCMNEMFAGHZSM-KFWWJZLASA-N 319.405 -0.357 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)CNC(=O)c2cc(C)oc2C)C1 1220991155 RWSVGUBKFAXYAK-KGLIPLIRSA-N 319.361 -0.579 30 20 DBED COCCOc1ncccc1C(=O)N[C@@H]1CN(CC#N)C[C@@H]1O 1221078970 ALZOFLWIVSLKQG-OLZOCXBDSA-N 320.349 -0.595 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CN(CCc2cnn(C)c2)C[C@@H]1O 1221145437 BXTVSXGASPULPT-CFVMTHIKSA-N 322.409 -0.285 30 20 DBED C#CCCN1CC[C@@H]2CN(C(=O)CCNS(C)(=O)=O)[C@@H]2C1 1221590929 JXENPOQZXXLDSU-CHWSQXEVSA-N 313.423 -0.518 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)C[C@H](C)COC)[C@@H]2C1 1221907881 QEOHOSHISVGOIJ-RRFJBIMHSA-N 321.421 -0.059 30 20 DBED C=CCOCCN[C@@H]1CCCN(C(=O)C[C@@H]2CC(=O)NC2=O)C1 1222157296 LMJDSCUBNMWXBQ-QWHCGFSZSA-N 323.393 -0.178 30 20 DBED C#CCOCCC(=O)NCC1CCN(CC(=O)N(C)C)CC1 1223174989 RRCUECWPYRZDSC-UHFFFAOYSA-N 309.410 -0.057 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cn(C)nn1 1226011616 PYEUSFSSFGAZKP-VXGBXAGGSA-N 320.397 -0.252 30 20 DBED C#CCCCC(=O)NCC[C@H]1CN(CCO)CCS1(=O)=O 1230454704 CANFRIMZJNDACM-ZDUSSCGKSA-N 316.423 -0.613 30 20 DBED C=C(C)CCC(=O)NCC[C@H]1CN(CCO)CCS1(=O)=O 1230466994 FCISEQXKWDBPPT-ZDUSSCGKSA-N 318.439 -0.060 30 20 DBED C=CCNC(=O)CN1CC[C@H]1CN(C)C(=O)CN1CCCC1=O 1230752388 HDJHALHNYPBUJN-ZDUSSCGKSA-N 322.409 -0.556 30 20 DBED Cc1[nH]nc(C(=O)N(C)C[C@@H]2CCN2CC(=O)NCC#N)c1O 1233633391 AMJXINUERPBKQE-JTQLQIEISA-N 320.353 -0.790 30 20 DBED C#CCNC(=O)[C@H](C)N(C)CCCNC(=O)Cc1cnn(C)c1 1235491019 IYMXOIHXEGNTOW-ZDUSSCGKSA-N 319.409 -0.461 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)c1[nH]c(O)nc1C 1235603094 STLMYKORLYNQPM-NSHDSACASA-N 319.365 -0.681 30 20 DBED C[C@H](CN1CCCC1=O)NC(=O)C(=O)N1CCC(C#N)CC1 1257460205 SLUXTMPRYFGPEB-LLVKDONJSA-N 306.366 -0.124 30 20 DBED C=CCOC[C@@H]1NC(=O)N([C@@H]2CCS(=O)(=O)[C@@H]2C)C1=O 1261836689 IWCPDZRAQLSALM-KXUCPTDWSA-N 302.352 -0.315 30 20 DBED C=CCS(=O)(=O)CCn1nnnc1N(C)CCCOC 1262424506 RNOBJLQRMJGBPM-UHFFFAOYSA-N 303.388 -0.253 30 20 DBED C[C@H](O)CCN(C)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1322700929 SLARQRDINHPILY-ZFEMDRMUSA-N 310.354 -0.075 30 20 DBED COCCn1cc(CNC(=O)C(=O)NCC2(CC#N)CC2)cn1 1323722519 KSHTXBSKCDWFGG-UHFFFAOYSA-N 319.365 -0.044 30 20 DBED C=C(C)COCCNC(=O)C(=O)N1CC(OCCOC)C1 1324307681 FSEXEEZVLLWIRU-UHFFFAOYSA-N 300.355 -0.431 30 20 DBED CC#CCCNC(=O)C(=O)NC[C@@H]1CC[C@H](C(=O)N(C)C)O1 1324403520 LKAIQUJZNIOHIC-NWDGAFQWSA-N 309.366 -0.732 30 20 DBED COCCCN(CCO)C(=O)C(=O)N1CCC[C@](C)(C#N)C1 1325368152 CJCHAGMMFCHZER-OAHLLOKOSA-N 311.382 -0.004 30 20 DBED C=C(CC)CNC(=O)C(=O)NCCCN1CCC[C@@H](C(N)=O)C1 1326272838 KNDVDWPNISAISF-CYBMUJFWSA-N 324.425 -0.228 30 20 DBED C#CCOCCNC(=O)C(=O)NCc1ccc(C(=O)NC)cc1 1327802077 BCHGOVBRTXIMGS-UHFFFAOYSA-N 317.345 -0.572 30 20 DBED C=CCN(C(=O)C(=O)NC[C@]1(C)CCC(=O)N1)[C@@H](C)COC 1329083462 XPLAMRIVRRAJDX-NHYWBVRUSA-N 311.382 -0.179 30 20 DBED C#CC1CCN(C(=O)C(=O)N2CC[C@@H]3COC(=O)N[C@H]3C2)CC1 1329466155 OTAZCMGEZJFQIA-OLZOCXBDSA-N 319.361 -0.185 30 20 DBED C=CCN(C(=O)C(=O)N1C[C@H]2C(=O)N(C)C(=O)[C@H]2C1)C1CC1 1329859808 RINFDVXUQQRCSD-PHIMTYICSA-N 305.334 -0.763 30 20 DBED N#CCNCc1cn(CCn2cnc(Br)n2)nn1 1331242502 FDLSWSWRDDETLS-UHFFFAOYSA-N 311.147 -0.055 30 20 DBED C=CCC1(O)CCN(C(=O)C(=O)NC[C@H]2COCCO2)CC1 1332095777 FEXWYVMPTIHLMD-LBPRGKRZSA-N 312.366 -0.552 30 20 DBED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N1CCCNC(=O)C1 1332748444 RMXHZHQEIQTFDS-WCQYABFASA-N 309.366 -0.568 30 20 DBED N#CC1CCN(C(=O)C(=O)N2CC[C@@H](C3OCCO3)C2)CC1 1334969935 IHRXSPHZYGJODG-GFCCVEGCSA-N 307.350 -0.030 30 20 DBED C[C@H](C(=O)NC1(C#N)CCC1)N(C)CCNS(C)(=O)=O 1338766535 HGRNBUOKTBAXHG-SNVBAGLBSA-N 302.400 -0.582 30 20 DBED COC[C@@](C)(C#N)NC(=O)Cn1nc2n(c1=O)CCCCC2 1340750171 DHBSOLBNPOGLHY-CQSZACIVSA-N 307.354 -0.184 30 20 DBED N#C[C@]1(F)CCN(C(=O)C(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)C1 1346251202 GDPSLNUCIXUNQL-ZUZCIYMTSA-N 322.340 -0.422 30 20 DBED Cc1cc(C)nc(NC(=O)C(=O)NCCn2cnc(C#N)n2)c1 1346611097 WMORDFOPEIXISR-UHFFFAOYSA-N 313.321 -0.083 30 20 DBED C=C(CC(C)C)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 1347579876 CTTMHPQNPUFACT-UHFFFAOYSA-N 306.370 -0.054 30 20 DBED CC(C)(C)N1CC[C@@H](NC(=O)C(=O)N2CCO[C@H](C#N)C2)C1=O 1349271890 MKUUHEVRRPUYEY-GHMZBOCLSA-N 322.365 -0.747 30 20 DBED C=CCn1c([C@@H](O)COC)nnc1N1CCN2C(=O)OC[C@@H]2C1 1356193028 KELSLIVXGSRHLC-QWRGUYRKSA-N 323.353 -0.215 30 20 DBED N#Cc1cn(CC(=O)N2CCC(CCCO)CC2)c(=O)nc1O 1362528604 DRLICEHUCYEDTI-UHFFFAOYSA-N 320.349 -0.168 30 20 DBED C[C@H]1C[C@@H](NC(=O)Cn2cc(C#N)c(O)nc2=O)c2nccn21 1362825431 DXJLRDKKGDJPQK-WCBMZHEXSA-N 314.305 -0.161 30 20 DBED Cn1c(=O)[nH]c(N[C@H]2CCCN(CCCO)C2)c(C#N)c1=O 1363156898 KQHIDXGJGGRFAG-JTQLQIEISA-N 307.354 -0.796 30 20 DBED N#Cc1ccc(S(=O)(=O)N[C@H](CO)CN2CCOCC2)o1 1364903692 RQDYSWZJFCDUDK-JTQLQIEISA-N 315.351 -0.877 30 20 DBED CC(C)OCC(=O)N[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1O 1383989928 MKTRDNDBBKFXFC-CHWSQXEVSA-N 320.349 -0.387 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(CCNC(=O)c2ccncn2)CC1 1385581805 XHOUMRSYBYAOFJ-LBPRGKRZSA-N 316.365 -0.490 30 20 DBED CN1CC[C@H](C(=O)NC[C@@H](O)CNC(=O)c2cc(C#N)c[nH]2)C1 1389087925 STBRKZFHJHVQHV-NWDGAFQWSA-N 319.365 -0.955 30 20 DBED C=C(Cl)CN(CCNC(=O)Cn1ncn(C)c1=O)C1CC1 1400018609 OGHDJFCUAOZTGY-UHFFFAOYSA-N 313.789 -0.085 30 20 DBED Cc1nccn1CCNC(=O)CCn1cc(C#N)c(O)nc1=O 1412474284 ATLFBCCXDACRMK-UHFFFAOYSA-N 316.321 -0.468 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CN(C)C(=O)CC1CCN(C)CC1 1413253858 GPHRKGMMPZHVRS-GXTWGEPZSA-N 324.425 -0.187 30 20 DBED CCOC(=O)C[C@@H]1CCCN1c1[nH]c(=O)n(C)c(=O)c1C#N 1413884639 FGVFZCJJTWCECH-VIFPVBQESA-N 306.322 -0.133 30 20 DBED COCC(=O)NCc1nc(O)cc(CNC(=O)[C@H](C)C#N)n1 1414265676 DLJILIDEYWJWAM-MRVPVSSYSA-N 307.310 -0.779 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1C[C@H](NCC(=O)NC[C@H]2CCCO2)C1 1417781782 NQNPGAQBSXZSJJ-XDQVBPFNSA-N 322.409 -0.074 30 20 DBED C[C@H](CNC(=O)CCn1cc(C#N)c(O)nc1=O)CN(C)C 1417881586 GPKZZVXEUDJOHE-SNVBAGLBSA-N 307.354 -0.475 30 20 DBED CC(=O)N(C)CC(=O)NCCN(C)C(=O)c1ccc(C#N)[nH]1 1448720335 WPRPCLOGIRJADN-UHFFFAOYSA-N 305.338 -0.447 30 20 DBED COC[C@@H](OC)C(=O)NCCN(C)C(=O)c1ccc(C#N)[nH]1 1455448136 PCKVVNNCZMPMGG-GFCCVEGCSA-N 308.338 -0.264 30 20 DBED Cc1nnc(N2CCO[C@H](C#N)C2)n1CCNC(=O)C1CC1 1511898890 KVSACLWRCOBEQE-GFCCVEGCSA-N 304.354 -0.159 30 20 DBED C[C@@H](C#N)C(=O)NCC1CN(C(=O)c2c[nH]c(C(N)=O)c2)C1 1530879974 IFNYUVFWKNWKKI-QMMMGPOBSA-N 303.322 -0.539 30 20 DBED C=CCOCC(=O)N[C@H]1CCC[C@@H]1CNC(=O)CNC(=O)O 1573369492 UGEWUTLRIDKBOP-MNOVXSKESA-N 313.354 -0.142 30 20 DBED C[C@@H](CNC(=O)[C@H](C)C#N)CNc1ccc(-c2nn[nH]n2)nn1 1574834580 BZDGWPPKOKANQV-RKDXNWHRSA-N 315.341 -0.019 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CCN1C(=O)CCOCc1cnn[nH]1 1575179987 YDYSPZNIKFJONN-ZYHUDNBSSA-N 320.353 -0.412 30 20 DBED C[C@]1(C#N)CN(S(=O)(=O)c2ccc(-c3nn[nH]n3)o2)CCO1 1575523838 FCVUSMROPQJVRX-NSHDSACASA-N 324.322 -0.237 30 20 DBED C#CC[C@H](COC)NC(=O)CNc1ccc(-c2nn[nH]n2)cn1 1588334481 YLIPMIUHZUKNEZ-LLVKDONJSA-N 315.337 -0.172 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)NC1CC(CC(=O)O)C1 1588447278 FYPMCSRBQDIQHE-UHFFFAOYSA-N 310.350 -0.146 30 20 DBED CC#CCN(C)C(=O)C(=O)Nc1cc(C)c(-c2nn[nH]n2)cn1 1588746389 QSDIJFLBNQDCEN-UHFFFAOYSA-N 313.321 -0.010 30 20 DBED N#CCN[C@@H]1CCCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1592678646 HIASUMMWHBDVGM-SECBINFHSA-N 300.326 -0.087 30 20 DBED COc1ccc(Cn2c(=O)c(C#N)cn(CC(=O)O)c2=O)cn1 1594098752 YWQVMFQPJSCKCN-UHFFFAOYSA-N 316.273 -0.582 30 20 DBED COC(=O)C[C@H](NS(=O)(=O)CC(C)(C)CC#N)C(=O)O 1598840815 OHFAJTHETIHNCK-QMMMGPOBSA-N 306.340 -0.138 30 20 DBED C=CCOC[C@H](NC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)OC)O1)C(=O)O 1602909156 PJKYOFJZPUTDLG-LMLFDSFASA-N 315.322 -0.275 30 20 DBED C[C@@H]1CCCCN1C(=O)Cn1c(N)nc(C#N)c1-c1nn[nH]n1 1603896491 VQAZQCGJXPIAJM-MRVPVSSYSA-N 315.341 -0.082 30 20 DBED Cc1[nH]nc(S(=O)(=O)N2CCOC[C@H]2C#N)c1C(=O)O 1607941181 ZBQGGTMWJYMCOT-SSDOTTSWSA-N 300.296 -0.671 30 20 DBED N#C[C@@H]1CNCC12CC(C(=O)N1CCO[C@@H](CC(=O)O)C1)C2 1608179054 FIAMKBDONAEBBR-OOLXCHQQSA-N 307.350 -0.172 30 20 DBED N#Cc1ccccc1OC[C@@H](O)CN1C[C@H](O)C[C@@H]1C(=O)O 1608219495 ZBZZQPZOZYYSSV-FRRDWIJNSA-N 306.318 -0.182 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CN(c2ccnc(C(=O)O)n2)C[C@@H]1O 1608277203 FFSNIFGTKCEFRY-MNOVXSKESA-N 316.317 -0.746 30 20 DBED N#CCOc1cccc(CC(=O)N2CCC(O)(C(N)=O)CC2)c1 1649803610 CEBOVDNEKJHDEV-UHFFFAOYSA-N 317.345 -0.030 30 20 DBED N#CCNC(=O)CN1CC[C@@H](NC(=O)CCCn2cccn2)C1 1661041011 BQTZKOOPQQKZSN-CYBMUJFWSA-N 318.381 -0.506 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H]1CCCN(CC(=O)NC2CC2)C1 1713789503 ZNCOBGHYZGXPNQ-JSGCOSHPSA-N 307.394 -0.116 30 20 DBED C#CCCN1CC[C@@H](CCNC(=O)Cn2c(O)nnc2O)C1 1753339514 POSOCBLDZYWZCT-LLVKDONJSA-N 307.354 -0.459 30 20 DBED C#CCNC(=O)CN1CC(CNC(=O)CCc2cnccn2)C1 1753413194 UMRBGGBFDWTAQQ-UHFFFAOYSA-N 315.377 -0.793 30 20 DBED C=CCN1CC[C@@H](N[C@@H](CC)CNC(=O)CNC(C)=O)C1=O 1753464722 RWWIURBWQOXZIK-QWHCGFSZSA-N 310.398 -0.606 30 20 DBED C=C(C)CN1CCO[C@@H](CNC(=O)CCn2ncn(C)c2=O)C1 1753651065 GLXSXWWLGRGHDR-ZDUSSCGKSA-N 323.397 -0.635 30 20 DBED CCc1cccnc1C(=O)N[C@H](C)CNCC(=O)NCC#N 1754232258 MPECPEDHFJPDNU-LLVKDONJSA-N 303.366 -0.008 30 20 DBED CC#CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)CN(C)CC(=O)NC(C)C 1754426406 RQQDPPOWFNXPNC-KEYYUXOJSA-N 320.437 -0.345 30 20 DBED CC#CCN[C@]1(CO)CCCN(C(=O)CCn2cnnn2)C1 1755091064 TYQITVHXWCLVMX-CQSZACIVSA-N 306.370 -0.970 30 20 DBED CC1(CC(=O)N2CCC(O)(CNCC(=O)NCC#N)CC2)CC1 1755149980 ACWGOGWYNWZGLA-UHFFFAOYSA-N 322.409 -0.241 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H](C)CN(C)C(=O)c1cnnn1C 1755584801 DQYNOLOFTNZJLU-QWRGUYRKSA-N 308.386 -0.444 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CCNC1=O)N(C)C(=O)c1cc(C#N)c[nH]1 1756054940 YGGBXIHNFFQKNV-GXSJLCMTSA-N 317.349 -0.401 30 20 DBED N#CCSCC(=O)NC[C@@H](CO)NC(=O)[C@@H]1C[C@H]1C1CC1 1756503935 SDKLDCNHGGVSJZ-SDDRHHMPSA-N 311.407 -0.117 30 20 DBED C#CCOCCC(=O)N[C@H]1C[C@H](C)N(C(=O)c2[nH]nnc2C)C1 1756598206 NNGHLARQQWLPPF-JQWIXIFHSA-N 319.365 -0.128 30 20 DBED C=CCCC(=O)N[C@@H]1CN(C(=O)[C@H]2CCCC(=O)N2)C[C@H]1O 1756984701 GCSKEZLXPABODD-IJLUTSLNSA-N 309.366 -0.691 30 20 DBED N#CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CCOCC1 1795878795 ZOZWZYAXMCOYAY-BTTYYORXSA-N 320.393 -0.130 30 20 DBED C[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cn[nH]c1 1796575009 WIFCWAODAXFGGB-KXGXSXBTSA-N 324.406 -0.069 30 20 DBED N#CCCC(=O)N1CC2(CCCN2C(=O)[C@@H]2C[C@H](O)CN2)C1 1845065220 AHZNCLYETMBKJV-RYUDHWBXSA-N 306.366 -0.784 30 20 DBED CCN(C)[C@@H](C)C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846196833 UYYDSMMRWBYONB-LBPRGKRZSA-N 321.377 -0.382 30 20 DBED C=CCCOCCNC(=O)C(=O)N1CC(=O)N[C@@H]2CCCC[C@@H]21 289418370 PKQAATDCNIUZAL-OLZOCXBDSA-N 323.393 -0.035 30 20 DBED CN(C)CCN1CCC(N/C(O)=N/C[C@H]2COCCO2)CC1 328884323 YMFJWOQJXCZOHK-AWEZNQCLSA-N 314.430 -0.069 30 20 DBED Cc1nc2n(n1)C[C@@H](/N=C(/O)N1CCN(C[C@H](C)O)CC1)CC2 329464979 VGMWSTOVIIAXPZ-AAEUAGOBSA-N 322.413 -0.186 30 20 DBED CS(=O)(=O)N1CCN(/C(O)=N/CC[C@H]2CCOC2)CC1 329662294 PIIMEMUWPPVLOE-NSHDSACASA-N 305.400 -0.096 30 20 DBED CC(C)N1C[C@H](/N=C(/O)N2CCN3CCOC[C@H]3C2)CC1=O 329851644 QXBFYWBSQLAGTE-CHWSQXEVSA-N 310.398 -0.074 30 20 DBED CN1CCO[C@H]2CN(CC(=O)N(CCC#N)CCC#N)C[C@H]21 331007376 MANOYVSRYXUXRY-KGLIPLIRSA-N 305.382 -0.343 30 20 DBED COCCN1CCC(/N=C(/O)N2CCO[C@@H](CO)C2)CC1 331200917 VIQFNIHYFVJBLR-CYBMUJFWSA-N 301.387 -0.296 30 20 DBED CCN(CCC#N)S(=O)(=O)N(CC)[C@H]1CCS(=O)(=O)C1 336901316 BUABJNAZZXZVJA-NSHDSACASA-N 323.440 -0.024 30 20 DBED CCCCN(CC(N)=O)S(=O)(=O)N1CCO[C@H](C#N)C1 336923142 ULQSTKYBGLNMRJ-SNVBAGLBSA-N 304.372 -0.957 30 20 DBED COC(=O)[C@@]1(C)CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)C1 336954332 XNQVRXCQSBYECX-JQWIXIFHSA-N 317.367 -0.659 30 20 DBED CCCN(CC(C)(C)O)S(=O)(=O)N1CCO[C@H](C#N)C1 337064674 JNOOURWLKDEMAB-LLVKDONJSA-N 305.400 -0.062 30 20 DBED C[C@H](Nc1ccn(CC(=O)N(C)C)n1)C(=O)NC1(C#N)CCC1 345140296 RGHXGZZELUOEGN-NSHDSACASA-N 318.381 0.334 30 20 DBED COCCCNC(=O)[C@H](C)N1CCN(C(=O)[C@@H](C)C#N)CC1 347103766 AMUONCDISRHFAG-STQMWFEESA-N 310.398 -0.169 30 20 DBED C=C[C@H](CO)NS(=O)(=O)c1ccc2nc(O)nc(O)c2c1 349807771 DPWAKYSBZCCIRQ-SSDOTTSWSA-N 311.319 -0.134 30 20 DBED CCn1cc(S(=O)(=O)N2CC(O)(CC#N)C2)c([N+](=O)[O-])n1 358914462 JEUUSMXBGWORAX-UHFFFAOYSA-N 315.311 -0.540 30 20 DBED CCNC(=O)N1CCN(S(=O)(=O)N(C)[C@@H](C)CC#N)CC1 407978273 YFEQPZOQGHZKKO-NSHDSACASA-N 317.415 -0.188 30 20 DBED CN1CCC[C@@H]1CN(C)S(=O)(=O)N1CCO[C@H](C#N)C1 420739140 OSVWSBAQLXOEOX-VXGBXAGGSA-N 302.400 -0.518 30 20 DBED C=C(C)CN(C)C(=O)C(=O)N1CCN(CC(=O)NC(C)C)CC1 459871895 YOTKATKSBBYJKK-UHFFFAOYSA-N 324.425 -0.310 30 20 DBED C=CCN(C)C(=O)C(=O)Nc1cccn(CC(=O)OCC)c1=O 526102809 DXBVYUPRYHYMTI-UHFFFAOYSA-N 321.333 -0.006 30 20 DBED COc1cc(C#N)ccc1S(=O)(=O)N(CCO)CC(=O)O 548230259 JYROQXXPSBTFCT-UHFFFAOYSA-N 314.319 -0.366 30 20 DBED COCCN(CCC#N)S(=O)(=O)NCC1(C(=O)O)CCC1 571528164 UQBZVTZMLRBOCP-UHFFFAOYSA-N 319.383 -0.062 30 20 DBED C[C@H](O)CN1CCN(C(=O)NC2CCN(CC#N)CC2)CC1 588341491 UAERDAKKAWLBEU-ZDUSSCGKSA-N 309.414 -0.318 30 20 DBED COC(=O)CCN(C)S(=O)(=O)N1CC[C@](O)(CC#N)C1 592078007 MTMUQHDRTAGSSR-LLVKDONJSA-N 305.356 -0.923 30 20 DBED Cc1nn(CC(=O)N(CCC#N)CCCN(C)C)c(=O)n1C 594248574 GPYPBLGHGFNTLI-UHFFFAOYSA-N 308.386 -0.416 30 20 DBED CCOC(=O)COCCNC(=O)N1CCN(CCC#N)CC1 601613639 SZUVPYRZBSYBIA-UHFFFAOYSA-N 312.370 -0.193 30 20 DBED COC(=O)CN(CCN1CCOCC1)c1ccc(C#N)nn1 611413878 IUZYERSSVHXRMT-UHFFFAOYSA-N 305.338 -0.340 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2CCCCN2)C1=O 642905604 QBNOMFRQYBLZQZ-STQMWFEESA-N 322.409 -0.510 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCS[C@@H]2C)C1=O 648684534 BMXHVKNBAIWNNB-BDAKNGLRSA-N 311.363 -0.027 30 20 DBED CCS(=O)(=O)N1CCC[C@@H](C(=O)[C@H](C#N)C(=O)NC)C1 729070046 KGGMOABMUMQWEE-ZJUUUORDSA-N 301.368 -0.497 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)OCC)CC1 736125792 BBTCGNNQHVEMQN-ZDUSSCGKSA-N 321.377 -0.682 30 20 DBED C#CCCN1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 747843794 QYIKGMVAFUVLLT-UHFFFAOYSA-N 318.333 -0.076 30 20 DBED C#CCOCCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 755423395 YCGLNNAHQBUVIT-CYBMUJFWSA-N 314.407 -0.642 30 20 DBED COc1cc2c(cc1C=NNC(=S)NCC(N)=O)OCO2 758873680 JMNZPXKESBAOCQ-UHFFFAOYSA-N 310.335 -0.293 30 20 DBED C#CCNC(=O)CSc1nnc(-c2n[nH]c3c2CCC3)n1N 768425773 CAALDUVGVFTXFK-UHFFFAOYSA-N 317.378 -0.288 30 20 DBED N#Cc1cccnc1NCCNC(=O)C(=O)N1CCC[C@@H]1CO 787773996 DJDWTONJBWOAEF-GFCCVEGCSA-N 317.349 -0.535 30 20 DBED C=CCOCCOC(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1 797325121 SBZGKZPNRMYVFQ-SNVBAGLBSA-N 317.367 -0.167 30 20 DBED C#CCC[C@@H](O)CNC(=O)NC[C@@H](C)CN1CCN(C)CC1 798424174 ATPOORUUWHLNFZ-HUUCEWRRSA-N 310.442 -0.057 30 20 DBED Cc1[nH]nc(C(=O)NCC(=O)NCC#N)c1Br 804820666 KJZUGHNEQGSZHI-UHFFFAOYSA-N 300.116 -0.150 30 20 DBED CON=CC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC(N)=O 809727335 WHBODZHZFDLKDH-LBPRGKRZSA-N 320.349 -0.662 30 20 DBED N#Cc1nc(NC(=O)[C@H]2CCc3n[nH]cc3C2)[nH]c1-c1nn[nH]n1 826382554 JPPZJJUTNNKDQL-LURJTMIESA-N 324.308 -0.072 30 20 DBED C=CCS(=O)(=O)CCNC(=O)NCC[C@]1(O)CCCOC1 845106738 KLFKJFGKXCSMTK-CYBMUJFWSA-N 320.411 -0.182 30 20 DBED CC(C)[C@@](C)(C#N)NC(=O)COC(=O)[C@@H]1CCS(=O)(=O)N1 845366307 IBOSMQULFQYYTO-JOYOIKCWSA-N 317.367 -0.724 30 20 DBED C=C[C@@H](C)ONC(=O)NCCNS(=O)(=O)Cc1ccon1 845629096 HHLXKQHDADCMNR-SECBINFHSA-N 318.355 -0.101 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CC[C@H](C(=O)O)[C@H](C)C1)[C@@H]1CCCO1 861717078 WVCYDBCXOGLPRJ-VOAKCMCISA-N 322.361 -0.147 30 20 DBED N#Cc1ccccc1CS(=O)(=O)NC(=O)COCC(=O)O 863952794 HWJDLYNGGQGAQV-UHFFFAOYSA-N 312.303 -0.395 30 20 DBED Cn1c(N)c(C=NNc2nc3ccccc3[nH]2)c(=O)n(C)c1=O 864890746 UHLNEOYQMLPIKM-UHFFFAOYSA-N 313.321 -0.012 30 20 DBED C=C(Cl)C[C@H](N)C(=O)N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 876702228 LVFDGPGGSTVWTF-VHSXEESVSA-N 314.773 -0.049 30 20 DBED C#CCNS(=O)(=O)N1CCN(Cc2cnc3n2CCC3)CC1 895919630 WSLZJHSVXKNEBS-UHFFFAOYSA-N 323.422 -0.586 30 20 DBED CC[C@@H](C)NC(=O)CN1CCN(CC(=O)NCCC#N)CC1 913054348 KPTOUMDWKYJAKB-CYBMUJFWSA-N 309.414 -0.451 30 20 DBED C=CCCN1CC[C@@H](NC(=O)Cn2ncn(C)c2=O)[C@H](C)C1 942200792 PGECIYQPBFRVKZ-CHWSQXEVSA-N 307.398 -0.016 30 20 DBED C#Cc1cncc(C(=O)N(CC)[C@@H]2CCN(C(=O)C(N)=O)C2)c1 942962733 UEVYMQCVIJMJAP-CYBMUJFWSA-N 314.345 -0.389 30 20 DBED C[C@H](C#N)C(=O)N1CCC(NC(=O)[C@@]2(C)CCNC2=O)CC1 948095920 CQGSWZKHHBUWQE-BMIGLBTASA-N 306.366 -0.221 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(CC)C1CN([C@H](C)C(=O)NC)C1 950533427 DYNLRIBEGKJKLQ-HIFRSBDPSA-N 320.437 -0.249 30 20 DBED COCCn1nccc1C(=O)NC[C@H]1CN(CC#N)C[C@H]1O 958170855 ALOBJOIEXNONQF-WCQYABFASA-N 307.354 -0.924 30 20 DBED C[C@@H]1CN(C(=O)C(N)=O)C[C@@H]1CNC(=O)c1cc(C#N)c[nH]1 959576448 NMZRYJALYBNOAX-SCZZXKLOSA-N 303.322 -0.804 30 20 DBED CC#CCN1C[C@H]2[C@H](NC(=O)c3coc(S(N)(=O)=O)c3)[C@H]2C1 960618687 BAFYNKUHERFQFW-PJXYFTJBSA-N 323.374 -0.390 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CN(C(=O)[C@H]3COCCO3)C[C@H]2C1 961062429 CTJSOSHTJCJIDD-FVCCEPFGSA-N 307.350 -0.522 30 20 DBED CCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)cn1 961944563 BOCPZIZQAVHYOY-JLLWLGSASA-N 305.338 -0.636 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@@H]3[C@@H]2CCCN3C(=O)C(N)=O)c1 963506432 BMNSRLWCXHCJNB-NWDGAFQWSA-N 315.333 -0.423 30 20 DBED C=CCN1CC[C@@H](N[C@@H]2CCN(C(=O)Cc3cc[nH]n3)C2)C1=O 968224469 REBCRZWBKYKZCS-ZIAGYGMSSA-N 317.393 -0.070 30 20 DBED C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C1 968680512 AHMMQWCUJBUNBK-RYUDHWBXSA-N 320.397 -0.220 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)[C@@H]3CCN(C)C3=O)C2)C1 972505970 HFBVAEOAFGDJGJ-CJNGLKHVSA-N 305.378 -0.599 30 20 DBED C#CCN1C[C@H](NC(=O)CN2CCN(C)C(=O)C2)C(C)(C)C1 974747127 AWDVHSLTFPTCHM-ZDUSSCGKSA-N 306.410 -0.780 30 20 DBED CCCN1C[C@H](C(=O)NC2CN(C(=O)C#CC3CC3)C2)CC1=O 991578293 ACIZVFNDWGRLQH-CYBMUJFWSA-N 317.389 -0.015 30 20 DBED CN1C[C@@H](C(=O)NC2CN(C(=O)c3c[nH]c(C#N)c3)C2)CC1=O 993783101 CRMBERFFBPEFSG-JTQLQIEISA-N 315.333 -0.695 30 20 DBED C#Cc1ccc(C(=O)N2CC(NC(=O)Cn3cncn3)C2)nc1 1000110533 KTUUBKQWZCMPDM-UHFFFAOYSA-N 310.317 -0.705 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@]2(CN(C(=O)C(N)=O)CCO2)C1 1007684788 LREIULAGHBBOEF-HNNXBMFYSA-N 309.366 -0.486 30 20 DBED COc1nn(C)cc1C(=O)N1CCN(C(=O)[C@H](C)C#N)CC1 1011885619 DMRUYYBAEHSNLF-SNVBAGLBSA-N 305.338 -0.127 30 20 DBED C=C[C@@](C)(CC)C(=O)N1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 1012291421 YNDVYSNDOLSILG-NHYWBVRUSA-N 308.382 -0.059 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@]12CCC[C@@H]1N(C(=O)C(N)=O)CC2 1014483578 CWWPGXWCAFBBTA-YRORDHRNSA-N 321.377 -0.297 30 20 DBED C=CCN1CC[C@@H](NC[C@H]2CCN(C(=O)c3cnn[nH]3)C2)C1=O 1026937757 ZTNAXSICENEVDL-VXGBXAGGSA-N 318.381 -0.357 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCCN([C@@H]2CCNC2=O)C1 1030024751 WLJLYESIILTJJS-QLFBSQMISA-N 318.421 -0.447 30 20 DBED C=CCCN1CC(NC(=O)CN2CCS(=O)(=O)CC2)C1 1031386156 YJKBCWCPRJAQET-UHFFFAOYSA-N 301.412 -0.907 30 20 DBED C#Cc1ccc(C(=O)NCC2CN(Cc3nnnn3C)C2)cn1 1032137146 LRXQKSAWCUJXRL-UHFFFAOYSA-N 311.349 -0.552 30 20 DBED COCc1nn(C)cc1C(=O)NC[C@@H]1CN(CC#N)CCO1 1035426135 YHMGFNRUOVUUSA-LLVKDONJSA-N 307.354 -0.479 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2CN(CCCO)CCO2)cn1 1035582055 VHEWPZXBQNPZIG-HNNXBMFYSA-N 303.362 -0.124 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCN1Cc1nnn(C)n1 1038265312 DIHFKANMCLCNPG-UPJWGTAASA-N 320.397 -0.118 30 20 DBED C#CCCCC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2CCNC2=O)C1 1039580564 WPJPZDFZVJVBII-WBMJQRKESA-N 321.377 -0.994 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@@](O)(CNC(=O)Cn2nccn2)C1 1039829071 OEBJNKWGBCGQIE-OAHLLOKOSA-N 321.381 -0.430 30 20 DBED COC[C@@H](C)C(=O)NCC1(O)CN(C(=O)CSCC#N)C1 1042026029 HDNPVSVJDCILAO-SNVBAGLBSA-N 315.395 -0.785 30 20 DBED C=CCOCCCC(=O)NCC1(O)CN(C(=O)[C@@H](C)OC)C1 1042306874 GWTJXTZSAROIDX-GFCCVEGCSA-N 314.382 -0.306 30 20 DBED CCN(C)C(C)(C)C(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1043612664 KKFRNIOIVGLLTD-UHFFFAOYSA-N 321.421 -0.180 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CN(c3cnc(F)cn3)C[C@@H]2O)[nH]1 1043892153 RKOUBUKUPIUZGJ-MNOVXSKESA-N 316.296 -0.205 30 20 DBED Cc1nc[nH]c1C(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@@H]1O 1044035481 UCFAACKQAIQVNC-OLZOCXBDSA-N 312.333 -0.036 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)[C@H]2CCC(=O)N2)C1 1044484920 UCPFUGXMUGLQAJ-SNVBAGLBSA-N 309.366 -0.833 30 20 DBED Cn1nnc(CNC[C@@H]2CCCN2C(=O)c2cc(C#N)c[nH]2)n1 1044983404 JAPLGIRFOUTYCY-NSHDSACASA-N 314.353 -0.196 30 20 DBED CCCCCCCCC(=O)N1CC(O)(CNC(=O)C(N)=O)C1 1045500254 OOGKKHHEBZJKBV-UHFFFAOYSA-N 313.398 -0.088 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(O)(CNC(=O)C2(CF)CC2)C1 1046358768 FLVRFSZJKZHOOX-CYBMUJFWSA-N 314.357 -0.247 30 20 DBED C=CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCN(C(C)=O)C2)C1 1047612879 QBCYZUFNCNOEPK-ILXRZTDVSA-N 309.410 -0.066 30 20 DBED C=CCO[C@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cnco2)C1 1049126382 ZSVZZUZJLLBBII-WOPDTQHZSA-N 323.349 -0.091 30 20 DBED C=C(C)CCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cn2cncn2)C1 1049587482 NGAIRTABNLFPDI-STQMWFEESA-N 321.381 -0.336 30 20 DBED C=CCN1CC[C@@H](NCC[C@H]2CCN(C(=O)CC(N)=O)C2)C1=O 1050222595 BZLDMHMVQMXIKB-QWHCGFSZSA-N 322.409 -0.523 30 20 DBED C#CCN1CCN([C@H]2CCN(C(=O)C[C@H]3COC(=O)C3)C2)CC1 1052013099 RCFBYIDCQVDLAD-CABCVRRESA-N 319.405 -0.209 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](C)[C@@H](CNC(=O)c2nnn(C)n2)C1 1052530096 PEEANDBYXXOLIJ-NEPJUHHUSA-N 318.381 -0.306 30 20 DBED N#CCN1CC2(C1)CN(C(=O)[C@H]1CCNC(=O)CC1)CCO2 1053358157 ISELPNRDJTYWPA-GFCCVEGCSA-N 306.366 -0.661 30 20 DBED C#CCN1CC2(C1)CN(C(=O)c1ccc(C(N)=O)cn1)CCO2 1053548963 NWIHGLPBOJEBBL-UHFFFAOYSA-N 314.345 -0.660 30 20 DBED C[C@H](C#N)C(=O)N1[C@H]2CC[C@@H]1C[C@H](CNC(=O)CNC(N)=O)C2 1053596958 KOQJYDVRNHNKBM-WISYIIOYSA-N 321.381 -0.300 30 20 DBED C#CCN1CC2(CC[C@@H](CNC(=O)[C@H]3CCN(C)C3=O)O2)C1 1053642928 OYXVQGPAFLAIAH-QWHCGFSZSA-N 305.378 -0.553 30 20 DBED C=C(C)CCN1CC2(C[C@H](NC(=O)[C@H]3CNC(=O)N3)CO2)C1 1053911149 YCYLGIXSJAOWID-NWDGAFQWSA-N 308.382 -0.407 30 20 DBED CCNC(=O)CC(=O)N1CCC[C@](CO)(NC(=O)[C@@H](C)C#N)C1 1056094983 ZMMQQJHQBCUWQO-NHYWBVRUSA-N 324.381 -0.858 30 20 DBED C[C@@H](C#N)C(=O)N[C@]1(CO)CCCN(C(=O)c2ccncn2)C1 1056096230 GRLRCEFRVVPWOE-XHDPSFHLSA-N 317.349 -0.280 30 20 DBED N#Cc1ccc(N2C[C@H]3C(NC(=O)Cc4nc[nH]n4)[C@@H]3C2)nn1 1056298982 YWNVSYPBXSSYMG-NXEZZACHSA-N 310.321 -0.740 30 20 DBED C#CCOCCC(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)C(N)=O 1056401451 GSPPPTMWLRSAIA-NEPJUHHUSA-N 307.350 -0.897 30 20 DBED N#Cc1c[nH]c(C(=O)NCCN(CCO)C(=O)C(F)F)c1 1056745824 YGQIGXMAZLKKSW-UHFFFAOYSA-N 300.265 -0.298 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)[C@@]1(C)CNC(=O)C1 1057525082 HTVHFZOBTDQAJB-MRXNPFEDSA-N 323.393 -0.891 30 20 DBED O=C(NCCN(CCO)C(=O)C#CC1CC1)c1ncccc1O 1057531204 IQLRBVVJKXHBDD-UHFFFAOYSA-N 317.345 -0.249 30 20 DBED C=CCCOCC(=O)N(CCO)CCNC(=O)c1cccnn1 1057920554 WAIAVTIHHXLGJV-UHFFFAOYSA-N 322.365 -0.380 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)CC[C@H]1CCCN1C 1058661517 YJYKQMXAFZOXSB-ZIAGYGMSSA-N 324.425 -0.042 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(CCO)CCNC(=O)c1cnon1 1058874415 WIGASBLOFFCODJ-PWSUYJOCSA-N 324.337 -0.789 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)c1ccnnc1 1058935960 NYJLTXQIAWQEFD-UHFFFAOYSA-N 308.338 -0.770 30 20 DBED Cc1cc(=N[C@H]2C[C@@H](NC(=O)Cn3cnnn3)C2)c(C#N)c[nH]1 1059570373 BUQPVWFDQXZOAJ-TXEJJXNPSA-N 312.337 -0.571 30 20 DBED CC(C)(C)C#CC(=O)NC[C@H]1COCCN1C(=O)CC(N)=O 1061575158 KUQQJMQXMJCFFV-NSHDSACASA-N 309.366 -0.745 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H]1COCCN1C(=O)c1cocn1 1061584768 MPKHSXDNEHHWSI-NEPJUHHUSA-N 321.333 -0.330 30 20 DBED Cc1nccn1CC(=O)NC[C@H]1COCCN1C(=O)[C@@H](C)C#N 1061598870 GVMNXYRSLAZLRW-AAEUAGOBSA-N 319.365 -0.305 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(NC(=O)Cn2cnnn2)CCC1 1062866670 RLZAVKYSHHTUOZ-CYBMUJFWSA-N 322.369 -0.845 30 20 DBED CN(C(=O)c1nnn(C)n1)[C@@H]1CCN(c2ccc(C#N)nc2)C1 1063012378 DRFDSJHYYASIID-GFCCVEGCSA-N 312.337 -0.172 30 20 DBED CCc1nc(C#N)cc(NC[C@H]2CCCN2C(=O)C(N)=O)n1 1063549500 DHCDDUGCQJLVFR-SNVBAGLBSA-N 302.338 -0.201 30 20 DBED Cc1nc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)c2nnn(C)n2)ccc1C#N 1064324988 RGCGQOPFGBXTCZ-NTZNESFSSA-N 324.348 -0.208 30 20 DBED N#Cc1cnc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)c2c[nH]c(=O)cn2)cn1 1064332822 AOBAAZJGUJBKQP-FDLBOYPASA-N 323.316 -0.561 30 20 DBED C=CCOCC(=O)N1CCO[C@H](CNC(=O)c2cocn2)C1 1064976714 OOCTWMAICAYPLX-LLVKDONJSA-N 309.322 -0.166 30 20 DBED C#CCNC(=O)CC(=O)N1CCO[C@H](CNC(=O)/C(C)=C/C)C1 1065065630 SVQADICGSGDLNC-YQJFHSMKSA-N 321.377 -0.564 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@H]1CN(C(=O)c2nc[nH]n2)CCO1 1065447023 LROAFMLGPMZSKR-YGRLFVJLSA-N 323.353 -0.911 30 20 DBED CCNC(=O)CCC(=O)NC[C@H]1CN(C(=O)[C@H](C)C#N)CCO1 1065557998 XSDMGWFWABVWEB-NEPJUHHUSA-N 324.381 -0.594 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)CCO1 1065626889 ICVMSPVGHCXIAN-UPJWGTAASA-N 321.377 -0.889 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CN(C(=O)CCc2cnn[nH]2)CCO1 1065631835 DHGOVBAGMXUCOQ-PWSUYJOCSA-N 320.353 -0.759 30 20 DBED C#CCO[C@H](C)C(=O)N1CC2(CN(C(=O)COCC)CCO2)C1 1068290266 YUCURJHCPIGALD-CYBMUJFWSA-N 324.377 -0.499 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1COC2(C1)CN(C(=O)COCC)C2 1068869491 ZGUSOXBOFIIGKG-OLZOCXBDSA-N 324.377 -0.453 30 20 DBED CCCN(C)CC(=O)N[C@@H]1COC2(C1)CN(C(=O)[C@@H](C)C#N)C2 1068939395 DJBQHTPXIOZZPD-STQMWFEESA-N 322.409 -0.026 30 20 DBED Cc1cc(C#N)nc(N[C@@H]2C[C@H](C)N(C(=O)CC(N)=O)C2)n1 1069049076 JKYTYOGTXRCHNA-GXSJLCMTSA-N 302.338 -0.067 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)C[C@@H]2CCCO2)C1 1069898522 PGUBVERFQQINLN-MJBXVCDLSA-N 303.366 -0.178 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2cc(C)nn2C)C[C@@H]1n1ccnn1 1070152601 ZBRYPRWIPMRGFW-OCCSQVGLSA-N 313.365 -0.391 30 20 DBED CN(C)[C@@H](C(=O)N1CCC(=O)NCCN(CC#N)CC1)C1CC1 1070970375 BJSIUMKMGHNQCB-OAHLLOKOSA-N 321.425 -0.499 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)CCc2cn[nH]c2)CC1 1071006927 BRGVCLXYMGKBAF-UHFFFAOYSA-N 317.393 -0.374 30 20 DBED C=CCOCC(=O)N1C[C@@H](C)[C@@H](NC(=O)CN2CCCC2=O)C1 1071809256 RUYZGNJSSRPZRU-OLZOCXBDSA-N 323.393 -0.226 30 20 DBED C=CCOCC(=O)N[C@H]1CN(C(=O)C2(NC(N)=O)CC2)C[C@@H]1C 1071926453 YBBXFQXILAACGN-QWRGUYRKSA-N 324.381 -0.647 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CCN(C(=O)c2nnn(C)n2)CC1(C)C 1073484268 FCTGBQCGGZBZTR-ZJUUUORDSA-N 319.369 -0.273 30 20 DBED CC#CCN1CCC2(C1)CN(C(=O)C[C@@H]1CC(=O)NC1=O)C2 1073497090 ADGVSXYTCCDODG-LBPRGKRZSA-N 303.362 -0.403 30 20 DBED C#CCCN1CCCO[C@H](CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 1073660354 BMPYQXSKVHYKPT-BZUAXINKSA-N 323.437 -0.064 30 20 DBED C=CCOCCCC(=O)N[C@H]1CCN(C(=O)C(N)=O)C[C@H]1C 1073856180 ZPCMWXOXYMMYRH-NEPJUHHUSA-N 311.382 -0.192 30 20 DBED C=CCOCC(=O)N1CC[C@H](NC(=O)c2nnn(C)n2)[C@@H](C)C1 1074110779 WAGZZFLMLOAZDU-QWRGUYRKSA-N 322.369 -0.621 30 20 DBED COc1cncc(C(=O)N2CC[C@@H]3OCCN(CC#N)[C@H]3C2)n1 1074351293 KZQSPVWPPXUBFI-STQMWFEESA-N 317.349 -0.076 30 20 DBED C#CCCN1CCO[C@H]2CCN(C(=O)CCn3cnnn3)C[C@@H]21 1074368390 FQSKXBSUCCWTJG-KBPBESRZSA-N 318.381 -0.612 30 20 DBED C=C(C)C(C)(C)C(=O)NCC1(O)CCN(C(=O)C(N)=O)CC1 1074702648 HHZYTEJPRFJRSJ-UHFFFAOYSA-N 311.382 -0.456 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)[C@H](CC)OC 1075861929 QXGOJZUMIAXJNQ-RYUDHWBXSA-N 311.382 -0.438 30 20 DBED C#CCOCCC(=O)NCC[C@H](C)NC(=O)[C@H](C)NC(C)=O 1076504330 WIIYVSVSJYKQMY-RYUDHWBXSA-N 311.382 -0.438 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCS2(=O)=O)C1 1078204837 SIBGGOMZTLTSCY-IJLUTSLNSA-N 302.396 -0.699 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3nnc(C)n3C2)C1 1078219607 HZKMMZKXTRGVNC-BFHYXJOUSA-N 317.393 -0.666 30 20 DBED Cn1cc(C(=O)N[C@@H]2C[C@H](NCC#N)C23CCC3)c(O)nc1=O 1078805228 DQRFIVDPDAQYFF-WDEREUQCSA-N 317.349 -0.360 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCC(CO)(NC(=O)COC)CC1 1080674001 OTANJEDXSPQNLZ-CQSZACIVSA-N 314.382 -0.570 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)C2=CCOCC2)C[C@H]1O 1081346529 JFOCHBRVSFVQDR-ZIAGYGMSSA-N 324.377 -0.529 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)CCOCC#C)C[C@H]1O 1081442785 YMXXWBGKGVZVAY-HUUCEWRRSA-N 320.389 -0.235 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2ncc[nH]2)C1 1081453892 ZYDYYTNVEAONNC-GHMZBOCLSA-N 308.338 -0.839 30 20 DBED C=CCCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cnn[nH]2)C1 1081590012 LKFBOKXKUUXSRS-CMPLNLGQSA-N 307.354 -0.290 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2cccc3nc(O)[nH]c23)C1 1083533435 QPYVIDGTXREAOX-MNOVXSKESA-N 301.306 -0.433 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)c3cn(C)c(=O)nc3O)[C@@H]2C1 1084828644 SDNCZJZQBUANON-ZYHUDNBSSA-N 302.334 -0.735 30 20 DBED CN(C[C@@H]1CCN1CC#N)C(=O)[C@@H]1CCc2nnn(C)c2C1 1085787458 PKBVLMFXKDRKQW-NEPJUHHUSA-N 302.382 -0.024 30 20 DBED C#CCN1CCC(C(=O)N(C)C[C@H]2CCN2[C@@H](C)C(N)=O)CC1 1085987069 SYXMRYLYIHDSCP-DZGCQCFKSA-N 320.437 -0.262 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@@H](N[C@H]2CCNC2=O)C1 1086202018 DALNFWZETNAEAM-BJJPWKGXSA-N 307.394 -0.050 30 20 DBED Cn1nnc(C(=O)N[C@@H]2[C@@H]3CCCN(CC#N)[C@H]3C2(C)C)n1 1087299314 SYRCSHUAYKCMGX-HBNTYKKESA-N 303.370 -0.048 30 20 DBED CC#CCN1CC[C@@H]2CN(C(=O)CCn3cnnn3)C[C@@H]2C1 1088150241 UAKMTTPCDICPGE-KGLIPLIRSA-N 302.382 -0.133 30 20 DBED C#CCN1CC[C@H](NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)[C@H]1C 1088565644 WVGJIJJHRNNMGB-BZPMIXESSA-N 315.377 -0.025 30 20 DBED CC#CCN1CC[C@H](NC(=O)CN2C(=O)CN(C)C2=O)[C@H]1C 1089027558 YBLIWMQHWMYNSI-NEPJUHHUSA-N 306.366 -0.517 30 20 DBED C[C@@H](C[C@H](C)NC(=O)c1cnnn1C)N=c1cc[nH]c(C#N)n1 1089292905 SYLSHHVSPPCQLO-UWVGGRQHSA-N 314.353 -0.092 30 20 DBED C=CCCN1CC[C@@H](NC(=O)C2CS(=O)(=O)C2)[C@@H](O)C1 1090294184 YGLADPYTSUZQQN-NEPJUHHUSA-N 302.396 -0.842 30 20 DBED Cc1c(C(=O)N[C@H]2CCN(CC#N)C[C@@H]2O)nn2c1OCCC2 1090313877 UJJPZAFZPBFSIU-RYUDHWBXSA-N 319.365 -0.337 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(c2ccc(C)nn2)C[C@@H]1O 1091092715 MOHKPOGHUGUXCF-XUJVJEKNSA-N 306.366 -0.222 30 20 DBED CC[C@H](C(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@@H]1O)N(C)C 1091123604 ZNNMBKKJYFFCFT-NFAWXSAZSA-N 317.393 -0.041 30 20 DBED CCC(=O)N[C@@H](C)C(=O)N1CCN(c2ccnc(C#N)n2)CC1 1093200616 UKOLGVCSKIHDLP-NSHDSACASA-N 316.365 -0.088 30 20 DBED CC(=O)N[C@H](C)C(=O)NC1[C@@H]2CN(c3ccc(C#N)nn3)C[C@@H]12 1093206938 BANQBWDGPCZGFL-GGZOMVNGSA-N 314.349 -0.576 30 20 DBED N#Cc1cnc(N2C[C@@H]3C(NC(=O)CNC(N)=O)[C@H]3C2)c(F)c1 1093212057 YVZVLEFJLJUCSK-IUCAKERBSA-N 318.312 -0.689 30 20 DBED CC(=O)N(C)CC(=O)NC1[C@H]2CN(c3nccnc3C#N)C[C@H]12 1093217197 HPKOTMRWWKNBKG-QWRGUYRKSA-N 314.349 -0.623 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(OC2CN(CC(=O)N(C)C)C2)CC1 1093517444 NHHJWLBDDIPHOO-LBPRGKRZSA-N 322.409 -0.074 30 20 DBED C=CCCN1CC(OC2CCN(C(=O)[C@@H]3CNC(=O)N3)CC2)C1 1093565836 DSDZOLLUOPUWTM-AWEZNQCLSA-N 322.409 -0.064 30 20 DBED Cc1cc(=NCCNC(=O)[C@]2(C)CCNC2=O)c(C#N)c[nH]1 1094135623 YZKAXNBAYSLTMS-OAHLLOKOSA-N 301.350 -0.262 30 20 DBED N#Cc1cnc(NCCNC(=O)c2cnc3[nH]nnc3c2)cn1 1094211836 MVPCAWMMPOKYLC-UHFFFAOYSA-N 309.293 -0.144 30 20 DBED N#Cc1ccc(NCCNC(=O)CN2CCCNC2=O)cn1 1094244818 JOGSTEBZUSXPDC-UHFFFAOYSA-N 302.338 -0.103 30 20 DBED N#Cc1nc(=NCCNC(=O)c2cn3cccnc3n2)cc[nH]1 1094245033 STISIHUZOBYISD-UHFFFAOYSA-N 308.305 -0.345 30 20 DBED N#Cc1nc(=NCCCNC(=O)CN2CCOCC2)cc[nH]1 1094371435 JOXYPYCPUGIRAB-UHFFFAOYSA-N 304.354 -0.979 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)c3ncccn3)CC2=O)C1 1094803903 QNNFSDLFHFIZFA-NSHDSACASA-N 301.350 -0.323 30 20 DBED CN1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC#N)S1(=O)=O 1098016803 GFQLMTBELGWZKG-WYUUTHIRSA-N 312.395 -0.735 30 20 DBED CNC(=O)CC(=O)N1CC[C@@H](CN=c2cc[nH]cc2C#N)C1 1098522074 SVRGICFPXVZBOU-NSHDSACASA-N 301.350 -0.228 30 20 DBED C[C@@H](CCNC(=O)CN1CCOCC1)Nc1cncc(C#N)n1 1099091642 OCRPKRLAUCQMTC-LBPRGKRZSA-N 318.381 -0.013 30 20 DBED CC#CCN1C[C@H](NC(=O)CC(N)=O)CC2(CCOCC2)C1 1099571806 NKQZOPNXOXFUMC-CYBMUJFWSA-N 307.394 -0.128 30 20 DBED C=CCCCCCN1CC[C@@H](NC(=O)CNC(N)=O)[C@H](O)C1 1099665751 LRXXPEGVPSWXBC-CHWSQXEVSA-N 312.414 -0.048 30 20 DBED N#CCNC(=O)CN1CC[C@@H](NC(=O)CC2CCC2)[C@@H](O)C1 1099755765 RMZLXBZMKVBMIR-OLZOCXBDSA-N 308.382 -0.632 30 20 DBED COc1cc(CCC(=O)N[C@@H]2CCN(CC#N)C[C@@H]2O)on1 1099852834 FVWGMXURAGUVFG-NEPJUHHUSA-N 308.338 -0.309 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)C(=O)NCC(F)(F)F)[C@H](O)C1 1100053022 IOJIHRAOWYUYAA-VHSXEESVSA-N 323.315 -0.208 30 20 DBED CCN(CCNC(=O)C[C@@H]1CCNC1=O)c1cncc(C#N)n1 1100635672 ZUSFTNSVDKMAPX-NSHDSACASA-N 316.365 -0.183 30 20 DBED CCS(=O)(=O)CC(=O)N(C)CCN=c1cc[nH]cc1C#N 1101647079 JWLQMDQSYGFNIK-UHFFFAOYSA-N 310.379 -0.320 30 20 DBED CN(CCNc1cnc(C#N)cn1)C(=O)[C@]1(C)CCC(=O)N1 1101932818 OCSIRZGWIOXPOS-AWEZNQCLSA-N 302.338 -0.113 30 20 DBED CCc1nc(C#N)cc(N2CC[C@H](N(C)C(=O)CC(N)=O)C2)n1 1102680541 ISILYRGEZFKGAU-NSHDSACASA-N 316.365 -0.177 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H](CC)N=c1cc[nH]cc1C#N 1103039132 BRKXHXUWCXTLAE-ZDUSSCGKSA-N 313.361 -0.179 30 20 DBED C[C@@H](CNc1cnc(C#N)cn1)N(C)C(=O)C1(C(N)=O)CC1 1104792975 LVCDWHNMIUIPFN-VIFPVBQESA-N 302.338 -0.127 30 20 DBED C[C@@H](C(=O)N1CC(n2cc(CNCC#N)nn2)C1)n1cncn1 1105215738 GUAKFNFINKCVOG-JTQLQIEISA-N 315.341 -0.873 30 20 DBED CN1CCO[C@@H](C(=O)N(C)CCN(C)c2cnc(C#N)cn2)C1 1105355047 CJYXNWZVJVGTAY-CYBMUJFWSA-N 318.381 -0.427 30 20 DBED C#CCNC(=O)CC(=O)N(C)CCN(C)c1ccc(C)nn1 1105369015 LHIFNSYYZKWEDP-UHFFFAOYSA-N 303.366 -0.181 30 20 DBED Cc1ocnc1C(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1 1105729946 VRMQXLHQRQHEMR-VIFPVBQESA-N 302.294 -0.731 30 20 DBED Cc1cc(=NC[C@@H](O)CNC(=O)C[C@H]2CCOC2)c(C#N)c[nH]1 1105759894 RHLCTIOBMCYCHC-TZMCWYRMSA-N 318.377 -0.001 30 20 DBED N#Cc1nccnc1NC[C@@H](O)CNC(=O)C[C@@H]1CCOC1 1105760788 YMRFHOOFBLKLNT-QWRGUYRKSA-N 305.338 -0.336 30 20 DBED Cc1c(C(=O)NC[C@@H](O)CNc2ccc(C#N)nc2)nnn1C 1105761930 IRPAFQFNSRYASN-LBPRGKRZSA-N 315.337 -0.407 30 20 DBED C[C@H](C(=O)NC[C@@H](O)CN=c1cc[nH]cc1C#N)n1cccn1 1105768305 XLNMSPHBVXIOJL-YPMHNXCESA-N 314.349 -0.278 30 20 DBED COCCOCC(=O)NC[C@H](O)CNc1nc(C)ccc1C#N 1105773550 JLKSIFTXIVYBHD-ZDUSSCGKSA-N 322.365 -0.186 30 20 DBED COCCOCC(=O)NC[C@H](O)CN=c1cc(C)[nH]cc1C#N 1105775014 YUYAEZJHKNELNT-CYBMUJFWSA-N 322.365 -0.764 30 20 DBED COC(=O)c1cnc(NC[C@@H](O)CNC(=O)C#CC(C)C)nc1 1105810319 QUBVGZQZDCLGOF-LBPRGKRZSA-N 320.349 -0.188 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H](O)CNC(=O)CN1CCCC1 1105856199 PKMKUVWXJGURRB-ZDUSSCGKSA-N 303.366 -0.640 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H](O)CNc1cc(C)nc(CO)n1 1105970529 JACBZAYZXKOKRX-VXGBXAGGSA-N 322.365 -0.795 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)N2)C[C@H]1C 1106991477 CQHKQUFVUJHJQJ-JHJVBQTASA-N 313.423 -0.615 30 20 DBED CCc1nc(C#N)cc(NC/C=C/CNC(=O)CNC(N)=O)n1 1107069433 CUUAQSCKBPHLMC-ONEGZZNKSA-N 317.353 -0.337 30 20 DBED CCn1nncc1C(=O)NC/C=C\CN=c1cc[nH]c(C#N)n1 1107150984 CBNCBIORQOWNPZ-ARJAWSKDSA-N 312.337 -0.220 30 20 DBED N#Cc1nc(=NC/C=C\CNC(=O)[C@@H]2CCCNC2=O)cc[nH]1 1107389614 NISOGJICUKHBIO-BVBSBALXSA-N 314.349 -0.619 30 20 DBED C=CCOCC(=O)NC[C@@]1(C)CN(Cc2nnnn2C)CCO1 1107810496 CIBCEOPTJZNPPB-AWEZNQCLSA-N 324.385 -0.880 30 20 DBED C[C@@]1(CNC(=O)[C@@H]2CCS(=O)(=O)C2)CN(CC#N)CCO1 1108057746 KGWZVYMMVMRDDC-DGCLKSJQSA-N 315.395 -0.848 30 20 DBED CCc1nc(C#N)cc(NC[C@H](C)NC(=O)[C@@H]2COC(=O)N2)n1 1108360284 SUPQFWZUQNUEFV-WPRPVWTQSA-N 318.337 -0.064 30 20 DBED C[C@@H](CNc1cnc(C#N)cn1)NC(=O)CN1C(=O)CCC1=O 1108377174 JAJAYLNOUHIYQL-VIFPVBQESA-N 316.321 -0.586 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)[C@H](C)NC(C)=O)CC2=O)C1 1108499012 DMOJZJQANVSMIC-JQWIXIFHSA-N 308.382 -0.902 30 20 DBED C=C(C)C[C@@H](C)C(=O)N[C@@H]1CC(=O)N(C2CN(CCO)C2)C1 1108567115 VYHREAUZTJMKGZ-CHWSQXEVSA-N 309.410 -0.018 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCN1CCNC1=O 1109079824 CDQPLENBBPGQAC-RNJOBUHISA-N 305.382 -0.107 30 20 DBED C[C@@H](CN(C)c1cncc(C#N)n1)NC(=O)[C@@H]1CCC(=O)N1C 1109179741 VHAFWXXAJDWBLK-JQWIXIFHSA-N 316.365 -0.090 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@]1(O)CCN(c2ncc(F)cn2)C1 1111097798 GQQJNXWBPFXRLH-XHDPSFHLSA-N 322.340 -0.289 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)c2nc(C)c[nH]2)CC1 1113417569 MRVBHHIANNSTHZ-LBPRGKRZSA-N 303.366 -0.386 30 20 DBED Cc1cc(N(C)[C@H](C)CNC(=O)Cn2cnnn2)c(C#N)cn1 1113487330 MHWKILINAMWCMS-LLVKDONJSA-N 314.353 -0.111 30 20 DBED C[C@H](CNC(=O)Cn1cnnc1O)N(C)c1ccncc1C#N 1113569374 YEIXMNRZGBIBSK-SNVBAGLBSA-N 315.337 -0.109 30 20 DBED CCNC(=O)NC(=O)CN1C[C@H]2C(NC(=O)[C@H](C)C#N)[C@@H]2C1 1114066630 GBIZBSSOOBUNNU-OPRDCNLKSA-N 307.354 -0.962 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)[C@@]34COC[C@@H]3C4)[C@@H]2C1 1114306070 FOZFECCLQPWROD-LGSVPQMISA-N 305.378 -0.629 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3onc(C)c3C)[C@H]2C1 1114447536 PWBFFGIJLLXNDC-IMRBUKKESA-N 316.361 -0.299 30 20 DBED CC#CCN1C[C@@H]2C(NC(=O)CNC(=O)C3CCOCC3)[C@H]2C1 1114988455 FUGQYIRVKAHGIG-KBPBESRZSA-N 319.405 -0.401 30 20 DBED C[C@H](CS(C)(=O)=O)NC(=O)C(=O)N1CCC[C@@](C)(C#N)C1 1117378935 GITHCEWQMXGZLU-MFKMUULPSA-N 315.395 -0.312 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCC(N2CCCC2=O)CC1 1117396298 OIASVHNXAVQCNF-UHFFFAOYSA-N 321.377 -0.634 30 20 DBED CCOCCOC1CN(C(=O)C(=O)N2CCO[C@H](C#N)C2)C1 1117916134 VDAZVGNMMQLKLQ-LLVKDONJSA-N 311.338 -0.999 30 20 DBED C=C(C)Cn1nnnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1119648632 ZRMGSLWATUWHHH-JTQLQIEISA-N 300.388 -0.281 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)Cn2cccn2)nc1 1121057073 ZDMNDZOTIVSIBH-GFCCVEGCSA-N 300.322 -0.261 30 20 DBED N#Cc1cnc(N[C@@H](CO)CNC(=O)CN2CCCC2)cn1 1121580608 KWNHYLGXDHEFPM-GFCCVEGCSA-N 304.354 -0.667 30 20 DBED N#Cc1nccnc1N[C@@H](CO)CNC(=O)c1cnnc(O)c1 1122158089 HBVXDABHDJVJRC-SECBINFHSA-N 315.293 -0.953 30 20 DBED Cc1nc(O)[nH]c1C(=O)NC[C@H](CO)Nc1cncc(C#N)n1 1122213685 OUDXGYHZYAZTFO-SECBINFHSA-N 317.309 -0.712 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CCCN(c2cnc(C#N)cn2)[C@@H]1C 1123537283 GTBOIQPEOXSYKN-ZYHUDNBSSA-N 316.365 -0.042 30 20 DBED COC[C@H](C)CC(=O)N(C)C[C@@H](O)CN=c1cc[nH]c(C#N)n1 1124513082 LHKTTXLCWWKUFR-NEPJUHHUSA-N 321.381 -0.326 30 20 DBED C=CCOCC(=O)NCCNCC(=O)N1C[C@H](C)O[C@H](C)C1 1124772774 IVXYCDVNSULBDC-BETUJISGSA-N 313.398 -0.469 30 20 DBED COC[C@H](C)OC[C@@H](O)CNCCNC(=O)c1ccc(C#N)[nH]1 1125776232 KCBIBHPFIGADKP-AAEUAGOBSA-N 324.381 -0.382 30 20 DBED C=C(C)CN(CC)C(=O)[C@@H](C)NCCNC(=O)c1ncn(C)n1 1126688304 DUAHCLMKHVCSSH-GFCCVEGCSA-N 322.413 -0.052 30 20 DBED N#Cc1cnccc1N1CC=C(CNC(=O)Cn2cnnn2)CC1 1127552511 YQQDJTVISBVMTC-UHFFFAOYSA-N 324.348 -0.107 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)c1cccc2nn[nH]c12 1128061247 GOJZXXPRBGICHE-SNVBAGLBSA-N 316.365 -0.032 30 20 DBED Cn1cc(CC(=O)NCc2cnn3c2CN(CC#N)CC3)cn1 1128255941 UGUZXBRQTSBLCW-UHFFFAOYSA-N 313.365 -0.185 30 20 DBED C=C(C)CN1CCn2ncc(CNC(=O)CCNC(N)=O)c2C1 1128571523 YWDLMJAADRFPHI-UHFFFAOYSA-N 320.397 -0.051 30 20 DBED C=CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)CNC(=O)OC)C1 1128746816 KNEKTKGDLPCWFN-NEPJUHHUSA-N 322.369 -0.448 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(CCOC)C[C@@H]1n1ccnn1 1128929348 HVGDWMBMGHHBKJ-IPYPFGDCSA-N 323.397 -0.407 30 20 DBED C=C(C)CN[C@@H]1CN(C(=O)[C@H](C)CC(N)=O)C[C@@H]1n1ccnn1 1129957306 YWDGFOCSDRBNAI-UPJWGTAASA-N 320.397 -0.293 30 20 DBED CC#CCN[C@@H]1CN(C(=O)c2nonc2C)C[C@@H]1n1ccnn1 1130155636 TZAPJWLZKGNEJK-NEPJUHHUSA-N 315.337 -0.352 30 20 DBED C#CCN1CC[C@@H](c2n[nH]cc2CNC(=O)Cc2nc[nH]n2)C1 1130437993 IPAYZWXTOSIJCP-LLVKDONJSA-N 313.365 -0.191 30 20 DBED CNC(=O)NCCC(=O)N1C[C@@H](C)O[C@]2(CCN(CC#N)C2)C1 1131657124 FKNOLLRLZAVCFM-DOMZBBRYSA-N 323.397 -0.479 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)[C@@H]1CC[C@H]1C(N)=O 1132362846 NTVADJDXFKKGSR-CHWSQXEVSA-N 322.409 -0.596 30 20 DBED C[C@H](C[C@@H](C)NC(=O)c1cccnn1)NCC(=O)NCC#N 1135737833 BGKPJFGFILRSDV-GHMZBOCLSA-N 304.354 -0.397 30 20 DBED CCO[C@H]1C[C@H]1C(=O)N1CC2(CCN(CC(=O)NCC#N)C2)C1 1147079915 VNRQCADTWPROAH-OLZOCXBDSA-N 320.393 -0.415 30 20 DBED COC[C@@H](O)CN1CCCO[C@@H](CNC(=O)C#CC2CC2)C1 1149694764 UFHXYPLVJJQMNN-GJZGRUSLSA-N 310.394 -0.386 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)CC2CS(=O)(=O)C2)C1 1149929773 CHPQBHQTPABYLW-ZDUSSCGKSA-N 314.407 -0.739 30 20 DBED C#CCCN1CCCO[C@H](CNC(=O)[C@@]2(C)CCNC2=O)C1 1150317049 GTZCYGTWMQMUNF-CJNGLKHVSA-N 307.394 -0.257 30 20 DBED C#CCCN1CCCO[C@@H](CNC(=O)C2(C(=O)NC)CC2)C1 1150436509 UDAPPZGSHXTSHD-ZDUSSCGKSA-N 307.394 -0.257 30 20 DBED COc1ccc(OC)c(C(=O)NCCNCC(=O)NCC#N)c1 1150577250 HWSZEIYRVSODSF-UHFFFAOYSA-N 320.349 -0.337 30 20 DBED CC#CCN(CC)[C@H](C)CNC(=O)CN(C)S(C)(=O)=O 1153715686 ZWSTZFDDSGIDDX-GFCCVEGCSA-N 303.428 -0.272 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)c1[nH]c(O)nc1C 1153918379 FWNPRTCNEYHNMH-SNVBAGLBSA-N 321.381 -0.387 30 20 DBED C=CCNC(=O)NC(=O)CNCCCNC(=O)C#CC(C)C 1157633267 STJGEBRRSSYYFP-UHFFFAOYSA-N 308.382 -0.247 30 20 DBED C=CCNC(=O)CNCCCNC(=O)c1ccnc2ccnn12 1159747255 JYDFKNHTXJITNS-UHFFFAOYSA-N 316.365 -0.259 30 20 DBED C#CCNC(=O)CNCCCC[C@@H](C)NC(=O)c1cnn(C)n1 1175695049 JFNHGYIZYOSRME-GFCCVEGCSA-N 320.397 -0.557 30 20 DBED Cn1cnc(C(=O)NCCCCCCNCC(=O)NCC#N)n1 1178394994 CWTRAKCYHGNLEG-UHFFFAOYSA-N 321.385 -0.665 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CCN(C)C2)[C@H]1C 1180124713 OPFYGLGPZYVWCG-IHRRRGAJSA-N 306.410 -0.734 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)Cc2cn(C)nc2C)C1 1183317609 PREKKSISHLLPBJ-CQSZACIVSA-N 319.409 -0.236 30 20 DBED C=CCNC[C@H]1CCN(C(=O)CS(=O)(=O)NC)C[C@H]1C 1185711081 YIUUKNUZPHBOQR-VXGBXAGGSA-N 303.428 -0.204 30 20 DBED C#CCCN[C@@H]1CCN(C(=O)C2CC3(C2)NC(=O)NC3=O)C1 1186249418 BGGULIRPFMZMHS-LOIXOFCESA-N 304.350 -0.812 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)/C=C\C(C)(C)C)C1 1191825092 YGIYNHLTFTTWQM-MCDWZKDZSA-N 321.421 -0.112 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)c2n[nH]c(C)c2O)C1 1192221279 DBPBBMWSKAJZAY-GHMZBOCLSA-N 310.354 -0.599 30 20 DBED CCn1ccc(C(=O)N2CC[C@H](N(C)CC(=O)NCC#N)C2)n1 1192671783 QENZXURFGNGRET-LBPRGKRZSA-N 318.381 -0.311 30 20 DBED C=C(C)CN(C)[C@H]1CCN(C(=O)CNC(=O)Cn2cncn2)C1 1194237489 ABQHAMMPEJAIIK-ZDUSSCGKSA-N 320.397 -0.497 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)C2(C)CCCC2)C1 1195081577 UNAVPIUXZQRKMH-MGPQQGTHSA-N 321.421 -0.134 30 20 DBED Cc1cc(CC(=O)N2CCCN(CC(=O)NCC#N)CC2)no1 1195339773 XFXKZQISWJQVHK-UHFFFAOYSA-N 319.365 -0.300 30 20 DBED N#CCNC(=O)CN1CCCN(C(=O)C[C@@H]2COC(=O)C2)CC1 1195480552 IQTWUVIDQFGBJM-LBPRGKRZSA-N 322.365 -0.886 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)CC(C)(F)F)C1 1196005046 RNKRZGAGULPDID-GMTAPVOTSA-N 317.336 -0.669 30 20 DBED CC1(C(=O)N2CCCN(CC(=O)NCC#N)CC2)CCOCC1 1197447353 CALILUOTUOPENK-UHFFFAOYSA-N 322.409 -0.023 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCCN(C(=O)c2nc[nH]n2)CC1 1197485112 MBVHCNXDYGECIO-LLVKDONJSA-N 304.354 -0.910 30 20 DBED C#CCNC[C@@H]1CN(C(=O)COC[C@H]2CCOC2)CCCO1 1201546942 NYZROPOZSVCIAF-LSDHHAIUSA-N 310.394 -0.120 30 20 DBED Cn1nc(C(=O)N2CCCO[C@@H](CNCC#N)C2)ccc1=O 1201996904 CTOHCERPTKCYRD-NSHDSACASA-N 305.338 -0.875 30 20 DBED N#CCNC(=O)CN[C@H]1C[C@H](NC(=O)c2cnco2)C12CCC2 1203231778 ULHJCQXJHGNUDB-RYUDHWBXSA-N 317.349 -0.055 30 20 DBED CN(C)CCC(=O)N1C[C@H]2CC[C@H]1[C@@H](NCC(=O)NCC#N)C2 1204697547 VZAUFWWSWPQOCF-IHRRRGAJSA-N 321.425 -0.453 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)[C@H](C)n2cncn2)[C@H](C)C1 1206877687 XKQJCRBTEOPBLR-FRRDWIJNSA-N 320.397 -0.422 30 20 DBED Cc1nc(C(=O)N2CCC[C@@H](NCC(=O)NCC#N)C2)co1 1207884026 SDLAIRVEWQUXRG-LLVKDONJSA-N 305.338 -0.183 30 20 DBED C=CCCN[C@H]1CCCN(C(=O)CNS(=O)(=O)NC)C1 1208756965 BBRSNDBCUCLDNB-NSHDSACASA-N 304.416 -0.803 30 20 DBED C#CCCN1C[C@@H](NC(=O)[C@H](C)NS(C)(=O)=O)[C@H](C)C1 1208914204 UAEAIMSOIDLZRN-GRYCIOLGSA-N 301.412 -0.616 30 20 DBED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)c1ccoc1 1211842445 UXZITZNVRDRTSL-VXGBXAGGSA-N 306.322 -0.652 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN([C@@H]2CCCNC2=O)C[C@H]1OC 1212262827 ZUEMXCMNROBEPD-MGPQQGTHSA-N 323.393 -0.880 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C 1214167448 NBLXOFMLMRPNEL-VXGBXAGGSA-N 310.423 -0.018 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(CCc2ccnn2C)C[C@@H]1O 1219587491 ICVOQDJPWKRLQG-CABCVRRESA-N 304.394 -0.217 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2cnn(C)c2)C[C@@H]1O 1219613531 KRICIDYERNPASP-KGLIPLIRSA-N 306.366 -0.879 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)C[C@@H](C)N2CCCCC2=O)C1 1219628739 PQISANQRFCGMNF-MCIONIFRSA-N 307.394 -0.428 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C2(C3CC3)CC2)C1 1219851252 IEPROHJVVLJKTK-OLZOCXBDSA-N 305.378 -0.913 30 20 DBED C=CCCCC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[nH]2)C[C@@H]1O 1220239863 XDCKYWRJMPGSHG-MNOVXSKESA-N 309.370 -0.874 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(CC#CCOC)C[C@@H]2O)cn1 1220793263 SIKJVQXHYMCZIX-CVEARBPZSA-N 313.357 -0.512 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](NC(=O)CC[C@H]2NC(=O)NC2=O)C1 1220940129 LMQAZCZTYFQRNL-UTUOFQBUSA-N 324.381 -0.898 30 20 DBED C#CCOCCC(=O)N1C[C@H]2CCN([C@H]3CCNC3=O)C[C@H]21 1221545050 UOALFSDWCLLPKE-HZSPNIEDSA-N 305.378 -0.553 30 20 DBED C=CCNC(=O)CN1CC[C@@H]2CN(C(=O)[C@H](C)CC(N)=O)[C@@H]2C1 1221731876 ULYBIAIQAHJEMP-JHJVBQTASA-N 322.409 -0.667 30 20 DBED CC#CCN1CCC(CNC(=O)CN2CCNC(=O)C2)CC1 1224033415 GYGHXCLYHBWVPW-UHFFFAOYSA-N 306.410 -0.730 30 20 DBED CCn1ccnc1C(=O)N(C)C[C@H]1CCN1CC(=O)NCC#N 1233916193 ULZHJEHEPFRQSE-GFCCVEGCSA-N 318.381 -0.311 30 20 DBED N#CCCCCNC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 1252301299 GXLQPJJRGCPYAZ-WFFHOREQSA-N 305.334 -0.041 30 20 DBED C=CCOC[C@H](NC(=O)Cc1nc2ncccn2n1)C(=O)OC 1256441158 PDDWNTQFPFFAMK-JTQLQIEISA-N 319.321 -0.473 30 20 DBED CC#CCN(C)C(=O)C(=O)N1CC[C@H](CN2CCCC2=O)C1 1261628154 RFTUNUYYBCZNKX-CYBMUJFWSA-N 305.378 -0.061 30 20 DBED C=CCCn1cc(CNC(=O)N2CCS(=O)(=O)CC2)nn1 1261866004 SEGIHHDQPNHNTO-UHFFFAOYSA-N 313.383 -0.206 30 20 DBED C=CCS(=O)(=O)CCNC(=O)NCC1(CO)CCOCC1 1320012688 DRQLDUYTXFYQCF-UHFFFAOYSA-N 320.411 -0.325 30 20 DBED C#CCCCNC(=O)C(=O)NCC1(CS(C)(=O)=O)CC1 1323659011 KJJPTTKVAAUAGO-UHFFFAOYSA-N 300.380 -0.543 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N1CCC(c2nncn2C)CC1 1323821304 FELVAVKGDCMGSL-LBPRGKRZSA-N 321.381 -0.162 30 20 DBED COc1cc(C=Nn2cnnc2O)cc(OC)c1OCC(N)=O 1324779732 YHPZYHMFZOFTEK-UHFFFAOYSA-N 321.293 -0.253 30 20 DBED COc1ccc(CNC(=O)C(=O)N2CC[C@](O)(CC#N)C2)cn1 1326098054 BXNJXUFNZABQPC-OAHLLOKOSA-N 318.333 -0.417 30 20 DBED Cc1ccc(CCNC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)nc1 1326153830 YLVDVMGICRXVNJ-INIZCTEOSA-N 316.361 -0.074 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3[C@H](C2)C3(F)F)CCN1C1CC1 1329455031 RYLTXTSEZILYMQ-SDDRHHMPSA-N 324.331 -0.091 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)NCc1cn(CC=C)nn1 1331444866 RPIHERISZLJUIS-LBPRGKRZSA-N 319.365 -0.375 30 20 DBED Cc1cc(NC(=O)C(=O)NCCN2CC[C@@H](O)C2)ncc1C#N 1331657174 SIEXUGIOYKSGAN-GFCCVEGCSA-N 317.349 -0.617 30 20 DBED CN(C)CC1(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1 1332354919 PPSVHIRRUXIVSU-OUKQBFOZSA-N 306.366 -0.029 30 20 DBED Cc1c(C(=O)NCC#CCN(C)C)cnn1-c1ccc(O)nn1 1334252842 NHIVHZKWRDUTHJ-UHFFFAOYSA-N 314.349 -0.029 30 20 DBED N#CCOc1cccc(NC(=O)C(=O)NC[C@H]2COCCN2)c1 1335200474 RKPWRXKVGVYQBN-LBPRGKRZSA-N 318.333 -0.368 30 20 DBED CN(CCN1CCCC1)C(=O)C(=O)Nc1cnn(CC#N)c1 1343321804 KKRDGQMLXYUUGY-UHFFFAOYSA-N 304.354 -0.101 30 20 DBED C#CCCN1CCN(C(=O)C2(CS(C)(=O)=O)COC2)CC1 1348736900 AGQRPVYCOZFFNY-UHFFFAOYSA-N 314.407 -0.785 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N(C)C[C@H]2CCC[C@@H]2O)nn1 1349044732 DGFKXHZSUJTXSM-YPMHNXCESA-N 321.381 -0.300 30 20 DBED N#CC1CCN(C(=O)C(=O)N2CCN([C@H]3CCOC3)CC2)CC1 1350202505 SITYOKCHJUNTTI-AWEZNQCLSA-N 320.393 -0.318 30 20 DBED CNC[C@@H](C)CNC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1353046527 ADKYAXBJMZVUPC-DGCLKSJQSA-N 307.398 -0.843 30 20 DBED C[C@H]1CN(C(=O)CCn2cc(C#N)c(O)nc2=O)CCCO1 1362112134 RKRSLRJZUNXVRX-JTQLQIEISA-N 306.322 -0.152 30 20 DBED CN(CCS(N)(=O)=O)S(=O)(=O)c1ccc(F)cc1C#N 1364043063 VLAVWBGXZOXQLQ-UHFFFAOYSA-N 321.355 -0.394 30 20 DBED COC(=O)C1(C#N)CCN(C(=O)N[C@H]2CC(=O)N(C)C2)CC1 1365565327 MMCBYBYKHBPLDI-JTQLQIEISA-N 308.338 -0.295 30 20 DBED CS(=O)(=O)CC(=O)N[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 1372230114 JKDFCTMJECIAPA-SNVBAGLBSA-N 324.362 -0.738 30 20 DBED C[C@@H](C#N)C(=O)NCC1CN(C(=O)[C@H](C)S(C)(=O)=O)C1 1374896702 BLAJCGBCGOMDQL-IUCAKERBSA-N 301.368 -0.846 30 20 DBED CC(C)n1cnc(C(=O)NC[C@H](O)CNC(=O)[C@@H](C)C#N)c1 1376658815 TUEYFADFKBMHBP-WDEREUQCSA-N 307.354 -0.169 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)CCc2ccncn2)C1 1384003544 ZEJLZGWCDLYRME-CYZMBNFOSA-N 317.349 -0.743 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@@H](CNC(=O)CNC(=O)C2CC2)C1 1384937127 QCKPMKDQUMPFPR-JBLDHEPKSA-N 306.366 -0.317 30 20 DBED C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)[C@H]1CCNC(=O)C1 1386218326 ROASEFWAUCOMTR-ONGXEEELSA-N 317.349 -0.353 30 20 DBED C[C@@H](CNC(=O)c1ccc(C#N)[nH]1)NC(=O)[C@@H]1CCC(=O)N1 1386225539 OUUGQPZZJNWUCN-KWQFWETISA-N 303.322 -0.601 30 20 DBED C=C(Cl)CN(C)C[C@@H](C)NC(=O)CN1CCN(C)C(=O)C1 1401766746 UGZRGGPSXVQNKZ-GFCCVEGCSA-N 316.833 -0.051 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C)[C@H]1CCN(c2cnn(C)c2)C1=O 1403505686 IGNXDKNGIUOMSB-AAEUAGOBSA-N 318.381 -0.267 30 20 DBED CO[C@@H]1[C@@H](C)[C@H](NC(=O)Cn2cc(C#N)c(O)nc2=O)C1(C)C 1412750630 OBRWPDXFRSDIDA-KPXOXKRLSA-N 320.349 -0.004 30 20 DBED COCCN(CCNC(=O)[C@@H](C)C#N)C(=O)c1ccn(C)n1 1428424126 NNRMXRXPDOPKHT-NSHDSACASA-N 307.354 -0.215 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CCCN1C(=O)CCn1ccnn1 1429769433 WCPUTXGVIYZWLB-VXGBXAGGSA-N 304.354 -0.065 30 20 DBED C[C@H](C#N)C(=O)NC1CN(C(=O)c2cnn(CCN(C)C)c2)C1 1432343580 SQLWISMEASUMBG-LLVKDONJSA-N 318.381 -0.455 30 20 DBED C[C@@H](C(=O)N1CCC(c2nn[nH]n2)CC1)n1cnc(C#N)n1 1434298042 CESCCOGPXBGNDH-QMMMGPOBSA-N 301.314 -0.370 30 20 DBED Cn1c(=O)[nH]c(N2CCC[C@H](C(=O)NC3CC3)C2)c(C#N)c1=O 1434435716 HNAGANMECNQTDM-VIFPVBQESA-N 317.349 -0.560 30 20 DBED Cc1cc(C#N)nc(N(C)CCNC(=O)CCCC(N)=O)n1 1439237293 PBACKUCZEHMKBD-UHFFFAOYSA-N 304.354 -0.135 30 20 DBED CCNC(=O)NC(=O)CN1CCC(N(C)C(=O)[C@@H](C)C#N)CC1 1440983533 FUBNNQXNUFJZLZ-NSHDSACASA-N 323.397 -0.085 30 20 DBED C[C@@H]1OCCN(C(=O)CCn2cc(C#N)c(O)nc2=O)[C@H]1C 1446519169 UMBMERPGAZLPON-UWVGGRQHSA-N 306.322 -0.154 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C)C(=O)Cc1nc2ncccn2n1 1449187473 JOVQZYQWZZOEPO-JTQLQIEISA-N 315.337 -0.599 30 20 DBED N#Cc1ncn(CC(=O)N2CCS(=O)(=O)[C@H]3CCC[C@@H]32)n1 1449611409 YHBGUVVQVWQPHT-UWVGGRQHSA-N 309.351 -0.672 30 20 DBED C[C@H](C#N)C(=O)N1CCN(CCNC(=O)C2CCOCC2)CC1 1453908595 UNTJKOGDBCAHQL-CYBMUJFWSA-N 322.409 -0.167 30 20 DBED COC(=O)CC1CCN(c2[nH]c(=O)n(C)c(=O)c2C#N)CC1 1458442845 YKCNRYNDXYNSLG-UHFFFAOYSA-N 306.322 -0.275 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)C(C)(C)S(C)(=O)=O)C1 1498434686 ZAGGCYTZCXPDRE-QMMMGPOBSA-N 301.368 -0.704 30 20 DBED C=C(Cl)CN1CC(O)(CNC(=O)c2n[nH]c(C)c2O)C1 1500814975 PAWFSSYKDGHQNV-UHFFFAOYSA-N 300.746 -0.047 30 20 DBED C=C(C)Cn1c(N2CCN(C)C(=O)C2)nnc1[C@@]1(O)CCOC1 1514897022 SLWLNDYQWLVHFV-OAHLLOKOSA-N 321.381 -0.260 30 20 DBED CC(=O)NCC(=O)N1CC[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 1527066459 OCDSHDXRBFRSJK-NSHDSACASA-N 317.349 -0.399 30 20 DBED CN(CCNC(=O)CN1CCCC1=O)C(=O)c1c[nH]c(C#N)c1 1527907554 JQIFXYIYUQKUBM-UHFFFAOYSA-N 317.349 -0.303 30 20 DBED CC[C@@H](CNC(=O)CN1CCOCC1=O)NC(=O)[C@H](C)C#N 1531259568 KVGMPTRNVZQSPB-MNOVXSKESA-N 310.354 -0.984 30 20 DBED C=C(CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)OC 1573337904 SYKCTGGABHUQQG-IUCAKERBSA-N 300.311 -0.410 30 20 DBED C#CCNC(=O)CNCC1(NC(=O)[C@@H]2C[C@H]2C(=O)O)CCCC1 1588483563 ASFUXHFRJKPFHW-VXGBXAGGSA-N 321.377 -0.525 30 20 DBED CN1CCC(NC(=O)Cn2cnc(C#N)c2-c2nn[nH]n2)CC1 1591180582 LSGSYZWKTXCTFT-UHFFFAOYSA-N 315.341 -0.855 30 20 DBED N#CCNC(=O)CNC(=O)c1ccc(-c2nn[nH]n2)cc1F 1592678248 RZOPTOANRYOQPN-UHFFFAOYSA-N 303.257 -0.625 30 20 DBED CC(C)(C)C#CC(=O)NC[C@H](CO)N=c1cc[nH]c(C(=O)O)n1 1603295747 MMMIXYMNCSXAJS-SNVBAGLBSA-N 320.349 -0.465 30 20 DBED N#Cc1cccc(N2CCN(C(=O)COCC(=O)O)CC2)n1 1605617432 CWXBEFMHAGVJDV-UHFFFAOYSA-N 304.306 -0.297 30 20 DBED Cc1nc(C(=O)N2CCN(CC#N)CC2)ccc1-c1nn[nH]n1 1606025725 TUYHUGWUNPUJGF-UHFFFAOYSA-N 312.337 -0.149 30 20 DBED C#C[C@@H]1COCCN1S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 1609020382 ZWXUOAUEECBAKE-LLVKDONJSA-N 319.346 -0.111 30 20 DBED CC#CC[C@H](CO)NS(=O)(=O)c1ccccc1-c1nn[nH]n1 1609060104 YVSAQBLKGOIXRP-SNVBAGLBSA-N 321.362 -0.081 30 20 DBED N#CCN1CCC(NC(=O)C(=O)N2CCC(C(=O)O)CC2)CC1 1610623107 QGUDOZLICUCFOS-UHFFFAOYSA-N 322.365 -0.586 30 20 DBED C=CCNC[C@@H]1CCCCN1C(=O)C[C@H](NC(C)=O)C(N)=O 1717359155 ZSGHGAUDPAXHEW-STQMWFEESA-N 310.398 -0.477 30 20 DBED COCC#CCN1CCC2(CC1)C[C@@H]2NC(=O)CNC(C)=O 1752414356 BDJCBGSEVPREBX-AWEZNQCLSA-N 307.394 -0.257 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1C[C@H](NC(=O)c2nocc2C)C1 1752674863 RIVXPSVUCHLQJI-IJLUTSLNSA-N 304.350 -0.029 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@H]1CN(C(=O)[C@@]1(C)CCOC1)C2 1753308790 DMFSWVYPBGSAFS-ZQIUZPCESA-N 319.405 -0.162 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@H](C)CNC(=O)c1cc(C)ncn1 1753609860 LRGZKVQSQUVGQK-AAEUAGOBSA-N 317.393 -0.122 30 20 DBED C#Cc1cncc(C(=O)NC[C@H](O)CN[C@H](C)C(=O)N(C)C)c1 1753927815 RKZXTTZAMAKDNJ-BXUZGUMPSA-N 318.377 -0.780 30 20 DBED C[C@H](CN(C)CC(=O)NCC#N)NC(=O)CCn1cccn1 1754302818 OIKJMZWBKHPDOO-GFCCVEGCSA-N 306.370 -0.651 30 20 DBED CC(C)OCCC(=O)N[C@@H]1[C@H]2C[C@H]1N(CC(=O)NCC#N)C2 1754420419 JUGOSUZJXSRVTF-YWPYICTPSA-N 308.382 -0.370 30 20 DBED C#CCNC(=O)CNC[C@@H]1CCCN1C(=O)c1nn(C)cc1C 1754610147 DVLONZZJEGHUPX-ZDUSSCGKSA-N 317.393 -0.328 30 20 DBED CNS(=O)(=O)CCC(=O)N1CC[C@@](C)(CNCC#N)C1 1754694266 DQGOKSWGKFXUHV-LBPRGKRZSA-N 302.400 -0.723 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)NC[C@@H]1CN(C(C)=O)CCO1 1754997123 WZGJUOCGYDIUGU-CMPLNLGQSA-N 312.370 -0.776 30 20 DBED C=CCN1CCN([C@H]2CCN(C(=O)CCNC(N)=O)C2)CC1 1755020101 YDQDEQCWOAFMSR-ZDUSSCGKSA-N 309.414 -0.551 30 20 DBED COCC#CCN1CC2(C1)CN(C(=O)[C@@H](C)COC)CCO2 1755049378 SCZWGNMGQYIZPO-AWEZNQCLSA-N 310.394 -0.168 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCC(O)(CNCCOC)CC1 1755151066 QCLRBULUSYEBPC-HNNXBMFYSA-N 323.437 -0.327 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@H]1[C@@H]2CN(Cc3cnn(C)n3)C[C@H]12 1755420694 NNPPEYABMHYXPC-HGTKMLMNSA-N 319.409 -0.064 30 20 DBED C#CCN[C@@H](C)[C@@H]1CN(C(=O)C(C)(C)N2CCOCC2)CCO1 1755462639 XVIPAUXPBUTDHC-GJZGRUSLSA-N 323.437 -0.064 30 20 DBED CN(CC#N)C[C@H](O)CN(C)C(=O)Cn1cc(C2CC2)nn1 1755801718 HVEMQAJQFRQCMD-LBPRGKRZSA-N 306.370 -0.570 30 20 DBED C=CCO[C@H](C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cncnc2)C1 1756997848 KETNHDATCYOXCW-RAIGVLPGSA-N 320.349 -0.631 30 20 DBED CN(C(=O)COC(=O)COCc1nncn1C)C(C)(C)C#N 1771716202 FAULACCTIUMGOS-UHFFFAOYSA-N 309.326 -0.365 30 20 DBED C[C@H](NC=O)C(=O)N1CC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1781246126 XZNSPFNZAZRJCD-SWLSCSKDSA-N 322.365 -0.745 30 20 DBED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)CCn3cncn3)C2)C1 1784341716 UQFZPYCNMCYGFX-OAHLLOKOSA-N 317.349 -0.869 30 20 DBED C[C@@H](CN)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CC1 1795408397 ZQCFABLQSNGCCW-RVMXOQNASA-N 320.393 -0.525 30 20 DBED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)COC)C1 1842688513 FYPTUINRJBWRGA-WAYWQWQTSA-N 321.377 -0.305 30 20 DBED CC(C)NC(=O)CN1CCN([C@@H](C)C(=O)N(C)CCC#N)CC1 72878462 QTQOKNNJENVLEU-AWEZNQCLSA-N 323.441 -0.111 30 20 DBED CN(C)CCN1C[C@H](C(=O)N2CCN(CC#N)CC2)CC1=O 73851809 HSHJCJXCJJRUEK-CYBMUJFWSA-N 307.398 -0.936 30 20 DBED C[C@H]1CN(c2nccnc2C#N)CCN1Cc1n[nH]c(=O)[nH]1 91591334 QKBHUGZTLADNEZ-VIFPVBQESA-N 300.326 -0.530 30 20 DBED C[C@@H](CNS(=O)(=O)c1ccc(C#N)nc1)N1CCN(C)CC1 153262615 GFSOHXAIFFVUJN-LBPRGKRZSA-N 323.422 -0.133 30 20 DBED CN(CCC#N)S(=O)(=O)N1CCN(CC(C)(C)O)CC1 160817670 USRHMPMZGBKFBH-UHFFFAOYSA-N 304.416 -0.535 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCC[C@@H](N)C2)C1=O 275757981 MDPQTVGFESUYFS-NXEZZACHSA-N 308.338 -0.651 30 20 DBED COC(=O)[C@@H]1C[C@H](O)CN1C[C@@H](O)COc1ccc(C#N)cc1 276675320 VKYJDMGVTWYPLB-GUTXKFCHSA-N 320.345 -0.094 30 20 DBED N#Cc1ccc(NC(=O)C(=O)N2C[C@H](O)[C@@H](O)C2)cc1Cl 277569184 QIABHHULXNMBNQ-QWRGUYRKSA-N 309.709 -0.286 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCC(n2cnc(C(N)=O)c2N)CC1 283965846 IEILHKWWGRJDCA-SNVBAGLBSA-N 320.397 -0.108 30 20 DBED NS(=O)(=O)[C@@H]1CCN(/C(O)=N/[C@@H]2CCO[C@@H]2C2CC2)C1 328679833 UEZIAEKKRXXVFL-GMTAPVOTSA-N 303.384 -0.169 30 20 DBED C[C@H](/C(O)=N/C1CC1)N1CCN(C(=O)[C@@H]2COCCN2C)CC1 328942070 IJUCVTSGDFVVIZ-OCCSQVGLSA-N 324.425 -0.031 30 20 DBED C[C@H](C/N=C(/O)NC[C@H]1CN(C)CCN1C)N1CCOCC1 329390468 UYXGCGSGMSBSJQ-KGLIPLIRSA-N 313.446 -0.544 30 20 DBED Cc1nnc2n1C[C@H](C/N=C(/O)N[C@H]1CC(=O)N(C)C1)CC2 329921173 HLQWFIVYHXIOKI-QWRGUYRKSA-N 306.370 -0.117 30 20 DBED Cc1nc([C@@H]2CN(/C(O)=N/C[C@@H]3COCCO3)CCO2)n[nH]1 330325413 UPHMRAQFCXTSAL-MNOVXSKESA-N 311.342 -0.184 30 20 DBED CN1C(=O)C[C@@H](NS(=O)(=O)Cc2cccc(C#N)c2)C1=O 330481922 SJCGRSNUBLNNJM-LLVKDONJSA-N 307.331 -0.265 30 20 DBED COC(=O)c1cc(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)cn1C 330656234 QIFVMIJLHFUJHP-JTQLQIEISA-N 320.305 -0.499 30 20 DBED CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@@H](S(N)(=O)=O)C1 330660732 UXSGXTFOSWTPHE-VXGBXAGGSA-N 316.427 -0.253 30 20 DBED CC/N=C(/O)N1CC[C@H](N/C(O)=N/[C@H](C)CS(C)(=O)=O)C1 330978327 FUGVSWYJTGLHGP-ZJUUUORDSA-N 320.415 -0.069 30 20 DBED COC(=O)[C@@H]1CNC(=O)CN1C(=O)c1ccc(C#N)cc1C 330995771 TZLLYDKOZLUKBY-LBPRGKRZSA-N 301.302 -0.020 30 20 DBED CCS(=O)(=O)C[C@H](C)NS(=O)(=O)N(C)C[C@@H](C)C#N 332501254 IWNAXAHRNJXHDA-UWVGGRQHSA-N 311.429 -0.265 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@@H]1C(=O)NCC[C@H]1C 337213147 WCNHEIAUBHBNOT-MNOVXSKESA-N 318.399 -0.793 30 20 DBED COCCS(=O)(=O)N(CCC#N)CCN1CCOCC1 354482354 ADNCXKCJOSCCNJ-UHFFFAOYSA-N 305.400 -0.490 30 20 DBED CN(C)S(=O)(=O)CCNC(=O)C(=O)Nc1cccc(C#N)c1 355112345 FXKSUXVIDNOYED-UHFFFAOYSA-N 324.362 -0.496 30 20 DBED N#CCNC(=O)CNC(=O)C(=O)N1CCc2ccc(C#N)cc21 357291330 OPIRGRMFNYQGNJ-UHFFFAOYSA-N 311.301 -0.797 30 20 DBED CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)NCC(=O)NCC#N)C1 358275809 NTOPPSMBNCZPHA-GHMZBOCLSA-N 309.370 -0.428 30 20 DBED C[C@@H](NC(=O)NCC(=O)NCC#N)C(=O)Nc1ccccc1 358290892 JDTDQKKZUOTEDE-SNVBAGLBSA-N 303.322 -0.047 30 20 DBED CN(C)CCN(C(=O)CSCC#N)[C@H]1CCS(=O)(=O)C1 358404048 AMHQKASKVKLUFQ-NSHDSACASA-N 319.452 -0.180 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2C[C@H]3[C@@H](N)CC[C@H]3C2)nn1 424545661 MASOYWYDTCTFTB-UHTWSYAYSA-N 318.381 -0.724 30 20 DBED C=CCC[C@H](NS(=O)(=O)c1cnnn1C)C(=O)OCC 451980776 AGJFSHMNHNBNMJ-VIFPVBQESA-N 302.356 -0.009 30 20 DBED C#CCNS(=O)(=O)c1cccc(C(=O)N(CC)CC(N)=O)c1 490742866 ZJPBHGXFGAVOEX-UHFFFAOYSA-N 323.374 -0.455 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2cccc(C)n2)CC1 491209240 DKVRQIMLZKNHFC-UHFFFAOYSA-N 300.362 -0.103 30 20 DBED C#C[C@@H](NC(=O)c1nc(N)nc(N2CCOCC2)n1)C(C)C 491728424 MMAWSOKIFPNACP-SNVBAGLBSA-N 304.354 -0.322 30 20 DBED C#C[C@H](C)N(C)C(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 491765506 DKAXADFIUVGONT-SRVKXCTJSA-N 312.391 -0.498 30 20 DBED C=CCN(CCOC)C(=O)C(=O)NC[C@@H](C)S(C)(=O)=O 518239148 UQYZNTZAWZDJOI-SNVBAGLBSA-N 306.384 -0.803 30 20 DBED N#CC1(CNS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 559299174 YYHPPTUEBKMXKX-UHFFFAOYSA-N 315.376 -0.084 30 20 DBED CC(CO)(CO)NC(=O)C(=O)Nc1cnc(C#N)c(Cl)c1 568889617 NLPNIKUUMFORHE-UHFFFAOYSA-N 312.713 -0.595 30 20 DBED N#Cc1ccc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)o1 569140784 NTPZHIZQVJHJBB-WCBMZHEXSA-N 310.335 -0.916 30 20 DBED C=C[C@H](O)C(=O)N(C)CC(=O)N1CCC(C(=O)OCC)CC1 590433555 VTXTWNJPKQFFOR-LBPRGKRZSA-N 312.366 -0.207 30 20 DBED COC(=O)[C@@]1(C)CCCN(c2c(C#N)c(=O)n(C)c(=O)n2C)C1 591199837 FTGHOOWNVWZEEW-HNNXBMFYSA-N 320.349 -0.265 30 20 DBED C=CCCSCCNC(=O)C(=O)N1CCO[C@H](CN)C1 595283102 HXUBSARGYAAGPG-LLVKDONJSA-N 301.412 -0.402 30 20 DBED CN(Cc1ncc[nH]1)C(=O)C(=O)N1CCN(CCC#N)CC1 601528103 GXAOFYRJYLOVIF-UHFFFAOYSA-N 304.354 -0.574 30 20 DBED C=C[C@@](C)(O)C(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F 614693753 RDXOJOUGYWPWEV-VXNVDRBHSA-N 318.317 -0.138 30 20 DBED C=CCN(C(=O)C(=O)N1CCO[C@@H](C(=O)O)C1)[C@@H](C)COC 662910689 BQHXXLHPRANVEG-WDEREUQCSA-N 314.338 -0.652 30 20 DBED N#CCNC(=O)COC(=O)CCCS(=O)(=O)N1CCCC1 731242933 UTFXJAQQOINKRT-UHFFFAOYSA-N 317.367 -0.625 30 20 DBED C[C@@H]1CC(=NC(=O)COCC(=O)NCc2cccnc2)NO1 777437835 ZGJOORNHWMZLIN-SNVBAGLBSA-N 306.322 -0.047 30 20 DBED COC[C@H](C#N)OC(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 786378340 WRFMBRRICSFPLY-GVFGIDLGSA-N 322.317 -0.379 30 20 DBED CS(=O)(=O)[C@H]1CCCC(=NNC(=S)NCC(N)=O)C1 788429184 GOOAOAYJEQZCOW-QMMMGPOBSA-N 306.413 -0.721 30 20 DBED C#C[C@H](NC(=O)C(=O)NC[C@H]1CCN(C2CC2)C1)[C@@H]1CCCO1 788777008 RLWJCKBGWLXJAY-SNPRPXQTSA-N 319.405 -0.116 30 20 DBED CC#CCS(=O)(=O)NC(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 791110960 IKYHNHRZFFTZBW-JOYOIKCWSA-N 316.404 -0.090 30 20 DBED Cn1c(C=NN[C@H]2CCSC2)nc2c1c(O)nc(=O)n2C 807999342 KNMUPKXHLHVAFX-ZETCQYMHSA-N 308.367 -0.198 30 20 DBED CN(CCN1CCCS1(=O)=O)C(=O)[C@@](C)(C#N)CC(=O)O 820597605 ZFHAKDZTTCJWPF-GFCCVEGCSA-N 317.367 -0.515 30 20 DBED C#C[C@@H](CCC)NC(=O)N1CCN(S(=O)(=O)NC)CC1 820665943 DKAKREXRBFIKEF-NSHDSACASA-N 302.400 -0.420 30 20 DBED C#CCOCCNC(=O)N1C[C@H](C(=O)OCC)C2(COC2)C1 836396628 KFFSWHXYCATUHL-GFCCVEGCSA-N 310.350 -0.143 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@H]1CC[C@@H](C(=O)O)C1)[C@H]1CCCO1 843257440 PDGNNCMBNNSVES-NOOOWODRSA-N 308.334 -0.347 30 20 DBED Cc1ccc(S(N)(=O)=O)c(C(=O)N[C@H]2CNC[C@@H]2C#N)c1 843460275 MXGNPIYJBPNLLN-ONGXEEELSA-N 308.363 -0.516 30 20 DBED C#CCCN(CCOC)C(=O)NCCNC(=O)c1cc[nH]n1 853970621 ANVODZWCAGGNLS-UHFFFAOYSA-N 307.354 -0.179 30 20 DBED CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)COc1cccc(C#N)c1 855476303 MVNWLZOJFMPKOT-STQMWFEESA-N 324.358 -0.135 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2coc(OC)n2)CC1 859179740 PEFSANGHGRDQJN-UHFFFAOYSA-N 306.322 -0.810 30 20 DBED C#CCCS(=O)(=O)NC(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1 860722544 YYIDWEHPLIVGHF-JTQLQIEISA-N 324.362 -0.758 30 20 DBED N#Cc1ccccc1OC[C@@H](O)CNC[C@@H]1CC(C(N)=O)=NO1 863554848 JLXNTHOOPOQHIF-RYUDHWBXSA-N 318.333 -0.482 30 20 DBED C#CCOCCNC(=O)[C@H]1CC[C@@H]1C(=O)NCCOCC#C 867369967 LDRBITXDZDCIKE-KBPBESRZSA-N 306.362 -0.455 30 20 DBED C#CC[C@@H](CCOC)NC(=O)[C@@H]1CCCN1C(=O)CNC(C)=O 876072913 CLPARYGXTYVACL-KBPBESRZSA-N 323.393 -0.342 30 20 DBED C#CC1(O)CN(C(=O)c2cccc([C@@]3(C)NC(=O)NC3=O)c2)C1 890522186 IDYJNDYZJRDFGX-OAHLLOKOSA-N 313.313 -0.439 30 20 DBED C#CC1(O)CN(C(=O)[C@H]2CC(=O)N(C[C@@H]3CCCN3CC)C2)C1 890522402 GUPPSSLZNPLBQW-KBPBESRZSA-N 319.405 -0.474 30 20 DBED C[C@]1(CC(=O)N2CCN(CC#N)CC2)CCS(=O)(=O)N1 933236190 GRRSUUXHXZGAEN-GFCCVEGCSA-N 300.384 -0.874 30 20 DBED N#Cc1cc(C(=O)N2CC[C@H](NC(=O)[C@@H]3COC(=O)N3)C2)c[nH]1 937891607 IOXUGLRYFKIKKY-ONGXEEELSA-N 317.305 -0.675 30 20 DBED Cn1nnc(C(=O)N2CC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)n1 940049180 CPWRQNUUIFPOEH-SECBINFHSA-N 314.309 -0.946 30 20 DBED O=C(N[C@@H]1CCN(C(=O)C#CC2CC2)C1)[C@@H]1CCCS1(=O)=O 940787757 MHNAELNHIIANCT-OLZOCXBDSA-N 324.402 -0.306 30 20 DBED N#Cc1cc(C(=O)N2CC[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)c[nH]1 942439423 KUFWZPCOMSWQLC-JLLWLGSASA-N 315.333 -0.662 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@H](CNC(=O)c2ccnc(O)c2)C1 944543545 XOFOGDBMUASYOP-CMPLNLGQSA-N 318.333 -0.096 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)[C@H](C)C1 945182861 QOUPKCUPADPOLO-NEPJUHHUSA-N 320.397 -0.220 30 20 DBED N#CCOc1ccc(CN2CCN(C(=O)C(N)=O)CC2)cc1 949967477 YAGCHSRAOLHSFF-UHFFFAOYSA-N 302.334 -0.282 30 20 DBED C[C@H](C#N)C(=O)N1CC(N(C)C(=O)c2ccc(N(C)C)nn2)C1 954848011 DNUBPBDNAMYUKU-SNVBAGLBSA-N 316.365 -0.015 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2cnc3n2CCCC3)C1 958344146 GFVHDUNPIZJOKJ-OCCSQVGLSA-N 302.378 -0.125 30 20 DBED Cc1nnccc1C(=O)NC[C@H]1COCCN1C(=O)[C@@H](C)C#N 964275178 XLFPCINFDQTQFR-JQWIXIFHSA-N 317.349 -0.098 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC2(C1)CN(C(=O)[C@@]13COC[C@@H]1C3)C2 965477722 OGLADHOEKULWMZ-MKBNYLNASA-N 319.361 -0.378 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)c3cnnn3C)[C@@H]2C1 971988309 BZYHGHSFQXNUSE-HOSYDEDBSA-N 302.338 -0.352 30 20 DBED CN1CC[C@H](C(=O)N2CC[C@]3(CN(CC#N)CCO3)C2)CC1=O 972440028 YMUQVWOYGADBFA-BBRMVZONSA-N 320.393 -0.318 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)CN3C(=O)CCC3=O)C2)C1 972669678 RHQRQFUXJQQMGU-MRXNPFEDSA-N 319.361 -0.928 30 20 DBED COC(=O)[C@@H]1C[C@H]1C(=O)N[C@H]1[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]21 976260370 VBBZPKQQWJPFLO-NTASLKFISA-N 316.357 -0.218 30 20 DBED C#CCCN1C[C@@H]2C(CNC(=O)[C@H]3CC[C@@H](C(N)=O)O3)[C@H]2C1 978708220 SPVJGGVACDIQQC-YIYPIFLZSA-N 305.378 -0.663 30 20 DBED C[C@H](NCc1nc(O)n[nH]1)[C@@H]1CN(C(=O)C#CC2CC2)CCO1 979326460 DKZDLTVORDCNSG-JQWIXIFHSA-N 319.365 -0.371 30 20 DBED C[C@H]1[C@@H](NCc2nnn(C)n2)CCN1C(=O)c1ccc(C#N)[nH]1 986186737 QYTWKMBHYQZJLK-ONGXEEELSA-N 314.353 -0.197 30 20 DBED N#Cc1c[nH]c(C(=O)NC2CN(C(=O)[C@@H]3CCC(=O)N3)C2)c1 990698946 KUTKGJAEMVCMLN-JTQLQIEISA-N 301.306 -0.894 30 20 DBED Cn1cc(C(=O)N[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]2O)cn1 991257404 NQWPUGHNHFECBM-KGLIPLIRSA-N 316.361 -0.475 30 20 DBED N#CCN1CC[C@]2(NC(=O)c3nnc(O)nc3O)CCC[C@@H]12 991627511 SYTXVWLEHAVFEU-AMIZOPFISA-N 304.310 -0.467 30 20 DBED C#CCN[C@@H]1CN(C(=O)CN2CCN(C)C(=O)C2)CC1(C)C 995976544 CNJIIEVTBYWYSU-CYBMUJFWSA-N 306.410 -0.780 30 20 DBED Cn1cncc1CC(=O)NC1CN(C(=O)c2cc(C#N)c[nH]2)C1 996442879 KHZWCDZKFOMLEN-UHFFFAOYSA-N 312.333 -0.197 30 20 DBED C=CCNC1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)CC1 997099347 YRAYMQVPCIBRJF-UHFFFAOYSA-N 306.366 -0.307 30 20 DBED CC#CCN1CCC(CNC(=O)[C@@H]2CCS(=O)(=O)N2)CC1 1002133237 PYMOVRGLFMPZKO-ZDUSSCGKSA-N 313.423 -0.470 30 20 DBED Cn1nnnc1CN1CCC(NC(=O)c2c[nH]c(C#N)c2)CC1 1002630476 WXURYGHJVUJFMM-UHFFFAOYSA-N 314.353 -0.196 30 20 DBED C[C@@H](NC(=O)[C@@H]1CCNC1=O)C1CN(C(=O)C#CC2CC2)C1 1006562005 HPLZURCSOWJCLW-ZWNOBZJWSA-N 303.362 -0.501 30 20 DBED C=CCN1CC[C@H](N2CC[C@H](NC(=O)Cn3cccn3)C2)C1=O 1010210759 FAFPJERNQJZBLO-KBPBESRZSA-N 317.393 -0.140 30 20 DBED N#Cc1cc(C(=O)N2C[C@H]3C(NC(=O)Cn4cccn4)[C@@H]3C2)c[nH]1 1012773925 MWANPIGUBNNVTD-CHWSQXEVSA-N 324.344 -0.030 30 20 DBED C#CCN1CCC2(CC1)C[C@H]2NC(=O)CN1CCN(C)C(=O)C1 1016696857 AEDOKESMWQJKNZ-CQSZACIVSA-N 318.421 -0.636 30 20 DBED C[C@H](C#N)C(=O)N1CC=C(CNC(=O)[C@H]2CCC(=O)N2)CC1 1017341267 NPQXNUQMOZZBHS-ZYHUDNBSSA-N 304.350 -0.300 30 20 DBED N#Cc1cccc(CN[C@H]2C[C@H](NC(=O)[C@@H]3CNC(=O)N3)C2)c1 1020530571 ACVMIMLWXKINCL-IHRRRGAJSA-N 313.361 -0.024 30 20 DBED CC#CCN1[C@H]2CC[C@H]1CC(NC(=O)[C@@H]1CC(=O)NC(=O)N1)C2 1021394307 CTBCOWWEXNOEOH-AVGNSLFASA-N 318.377 -0.281 30 20 DBED CCc1ncncc1C(=O)N[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1O 1023816232 VTQWYXSHZBLWLU-OASPWFOLSA-N 317.349 -0.500 30 20 DBED N#CCNC1CCC(NC(=O)CN2CCCS2(=O)=O)CC1 1026503987 QHDOMZOBABIGPP-UHFFFAOYSA-N 314.411 -0.438 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN([C@@H](C)c2nnnn2C)C1 1030464434 SPSXTZNNRSVVHL-AAEUAGOBSA-N 317.397 -0.831 30 20 DBED N#CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cn(C[C@@H]2CCOC2)nn1 1032705991 AHWRMKKUCBIJBD-AVGNSLFASA-N 316.365 -0.263 30 20 DBED CN(C(=O)c1cc(=O)n2[nH]cnc2n1)[C@@H]1CCN(CC#N)C1 1033580768 FNHBLCOCUBESAO-SECBINFHSA-N 301.310 -0.913 30 20 DBED CCCCN1CCOC[C@@H]1C(=O)NC[C@H]1CN(CC#N)CCO1 1035456746 ARJPJROMMYONQM-LSDHHAIUSA-N 324.425 -0.172 30 20 DBED C=C(C)CN1CCO[C@@H](CNC(=O)c2cnc(O)n(C)c2=O)C1 1035467757 QQHBNUWXRVHIIR-NSHDSACASA-N 322.365 -0.507 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)CC[C@H]1NCc1nnnn1C 1036032312 XQKSYPFRUSQWCK-DGCLKSJQSA-N 302.382 -0.050 30 20 DBED C#CCN[C@H]1CCN(C(=O)CN2C(=O)NC(C)(C)C2=O)C[C@@H]1C 1036282877 RXJWYXKJSRRUII-RYUDHWBXSA-N 320.393 -0.223 30 20 DBED C=CCCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1cnc(O)n(C)c1=O 1037539057 KLHSBLKGLCFXHU-ADEWGFFLSA-N 304.350 -0.136 30 20 DBED N#CCN1CC[C@@H](C2CCN(C(=O)[C@@H]3CNC(=O)N3)CC2)C1 1039155869 VWRXRKLJTUSPAF-OLZOCXBDSA-N 305.382 -0.248 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1[C@H]2CC[C@H]1CN(CC(N)=O)CC2 1039388504 VRHAZTAYTRYZSD-KKUMJFAQSA-N 318.421 -0.365 30 20 DBED CCC(=O)N1CCC(=O)NCCN(c2cncc(C#N)n2)CC1 1039658912 FDLNWKKPSCPNLR-UHFFFAOYSA-N 316.365 -0.087 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)CCc2cnc[nH]2)C1 1040143875 TXQXZCALOSETMN-IAQYHMDHSA-N 319.365 -0.418 30 20 DBED C=CCCC(=O)N1CC[C@@](O)(CNC(=O)C(=O)NCC2CC2)C1 1040710050 NGSOMXSULFZCSV-MRXNPFEDSA-N 323.393 -0.442 30 20 DBED N#CCN1CCC2(CC1)CCN(C(=O)C1CS(=O)(=O)C1)C2 1040714498 HMVAHWGKFWKWCW-UHFFFAOYSA-N 311.407 -0.131 30 20 DBED CC(C)(F)C(=O)NCC1(O)CN(C(=O)CSCC#N)C1 1041125187 XZOBUGULIUTGTR-UHFFFAOYSA-N 303.359 -0.319 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)[C@@H](C)[C@H]2CCC(=O)N2)C1 1041963198 JNHDUQJJBVLUQG-NWDGAFQWSA-N 323.393 -0.443 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCCCC(=O)N2)C1 1041963493 QQUOPYROZSZVGX-LBPRGKRZSA-N 323.393 -0.299 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1 1041969677 OIDYXWGXMCMEDR-VXGBXAGGSA-N 323.393 -0.443 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)Cc2[nH]cnc2C)C1 1042040247 RHWKNJLTLJUJPM-UHFFFAOYSA-N 322.365 -0.847 30 20 DBED Cn1cc(C(=O)N2CC[C@H]3CCN(CC#N)[C@@H]3C2)ncc1=O 1042160052 KLEJIZGYKKZWHK-DGCLKSJQSA-N 301.350 -0.160 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)[C@H]2CCCC(=O)N2)C1 1042940480 BFZZFWGZIVFMHW-GFCCVEGCSA-N 321.377 -0.996 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)Cc2ccc[nH]2)C1 1042941827 TWBPLBUOSNUYJA-UHFFFAOYSA-N 303.362 -0.094 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)c2ccc[nH]2)C1 1043032719 GVSPKOLDXKSQIF-UHFFFAOYSA-N 305.334 -0.642 30 20 DBED Cc1cc(C#N)nc(N2C[C@H](O)[C@H](NC(=O)c3cnon3)C2)n1 1044122215 BFPZWPYFVRDWLZ-MNOVXSKESA-N 315.293 -0.981 30 20 DBED CC#CCCCC(=O)NCC1(O)CN(C(=O)Cn2cccn2)C1 1045002648 CXEFWERLPWRKFC-UHFFFAOYSA-N 318.377 -0.234 30 20 DBED CCn1cccc1C(=O)N1CC(O)(CNC(=O)[C@H](C)C#N)C1 1045555493 RSPWIUDAIOUCNS-LLVKDONJSA-N 304.350 -0.029 30 20 DBED Cc1nc(CC(=O)N2CC(O)(CNC(=O)[C@@H](C)C#N)C2)cs1 1045555644 TXJWDGMQSWRKJD-VIFPVBQESA-N 322.390 -0.157 30 20 DBED C#CCN1CC[C@@H](N2CCN(C(=O)c3cc(=O)n(C)o3)CC2)C1 1046024334 KFUKSUSPVVEASB-CYBMUJFWSA-N 318.377 -0.556 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)C2CCC(C(N)=O)CC2)C1 1047437410 SKPGFLXYWWCEND-WUCCLRPBSA-N 321.421 -0.195 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)[C@H]1CN(C(=O)[C@H]2C[C@@H]2C)C[C@@H]1O 1048844277 GLROPCLWDOBVFW-PEDHHIEDSA-N 308.378 -0.289 30 20 DBED C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H]1NC(=O)NC1=O 1049525309 DSSOKGFSNCZEBC-QJPTWQEYSA-N 304.350 -0.717 30 20 DBED C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC(=O)N2)CCN1c1nccnc1C#N 1050475130 VGABRPQAAKBGOM-VWYCJHECSA-N 314.349 -0.290 30 20 DBED Cn1ccc(CC(=O)N2CC[C@H](N3CCN(CC#N)CC3)C2)n1 1052027485 GNXYHTXPYLFTKW-HNNXBMFYSA-N 316.409 -0.295 30 20 DBED C=CCOCC(=O)N1C[C@H](C)[C@H](CNC(=O)c2cnnn2C)C1 1052220486 JZJMVXYXYBAMKG-NWDGAFQWSA-N 321.381 -0.158 30 20 DBED N#Cc1cnccc1N1C[C@H]2C(NC(=O)[C@@H]3CNC(=O)N3)[C@@H]2C1 1056392804 PNFMGMNTWUFXGT-MXWKQRLJSA-N 312.333 -0.815 30 20 DBED N#Cc1cnc(N[C@@H]2CCN(C(=O)C3CS(=O)(=O)C3)C2)cn1 1056709670 WOSOHCKWQITCOM-SNVBAGLBSA-N 321.362 -0.594 30 20 DBED C#Cc1ccc(C(=O)NCCN(CCO)C(=O)CCOC)nc1 1056732567 SOVXNCJJGUUQIX-UHFFFAOYSA-N 319.361 -0.350 30 20 DBED C=C[C@@H](CC)CC(=O)NCCN(CCO)C(=O)CNC(N)=O 1056919244 MJUVTJKAMPGAJM-NSHDSACASA-N 314.386 -0.806 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)CC1CCOCC1 1057242996 QJSSOQYDZCESNO-GFCCVEGCSA-N 311.382 -0.100 30 20 DBED C=C[C@](C)(O)CC(=O)N(CCO)CCNC(=O)C(C)(C)F 1057449928 KEOWRLDHUWDCAM-AWEZNQCLSA-N 304.362 -0.001 30 20 DBED O=C(C#CC1CC1)NCCN(CCO)C(=O)c1cnnc(O)c1 1057886839 NZEVQKUPCOBYHJ-UHFFFAOYSA-N 318.333 -0.854 30 20 DBED C=CCCOCC(=O)N(CCO)CCNC(=O)c1ccnn1C 1057919101 MKELYNAJIGELGF-UHFFFAOYSA-N 324.381 -0.437 30 20 DBED CN1C[C@H](C(=O)N[C@@H]2CCN(c3ccncc3C#N)C2)NC1=O 1058504071 FTQXDOWVROUHNC-VXGBXAGGSA-N 314.349 -0.328 30 20 DBED C=C[C@@H](C(=O)NCCN(CCO)C(=O)C(N)=O)c1ccccc1 1058641467 AVDOVTMFWDQMAM-CYBMUJFWSA-N 319.361 -0.621 30 20 DBED C=C1CC(C)(C(=O)N(CCO)CCNC(=O)c2cn(C)nn2)C1 1058769882 LIMMKLJVURQFTK-UHFFFAOYSA-N 321.381 -0.278 30 20 DBED CN1C[C@@H](C(=O)N2CC[C@H](Nc3cnc(C#N)cn3)C2)NC1=O 1059023107 MPCKGCBTFVOLRN-ONGXEEELSA-N 315.337 -0.615 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@H](CCNC(=O)c2cnn[nH]2)C1 1059648002 KWCNIUZVXCCQJN-NEPJUHHUSA-N 319.365 -0.189 30 20 DBED COCCC(=O)NC[C@H]1COCCN1C(=O)CSCC#N 1061160500 KFWNWZIPAKDEIO-NSHDSACASA-N 315.395 -0.377 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCOC[C@H]1CNC(=O)COC 1061183036 YZRITSUTMIDGRM-NWDGAFQWSA-N 300.355 -0.433 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCOC[C@H]1CNC(=O)COCC 1061247064 ASNVHKPDCBBIHV-QWHCGFSZSA-N 312.366 -0.595 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1COCCN1C(=O)Cn1ccnc1 1061568598 LUHHQKJAHHAYBA-CQSZACIVSA-N 318.377 -0.114 30 20 DBED C#CCOCCC(=O)NC[C@@H]1COCCN1C(=O)c1cn[nH]c1 1061580999 JHOSBVWBATZCDZ-CYBMUJFWSA-N 320.349 -0.593 30 20 DBED Cn1ncc(C(=O)NC[C@@H]2CCN(c3ccc(C#N)nn3)C2)n1 1061622967 NMQSEUBXWQCYTQ-JTQLQIEISA-N 312.337 -0.267 30 20 DBED N#Cc1nccc(N2C[C@@H]3C[C@H]2CN3C(=O)CCc2cnn[nH]2)n1 1062584954 XZZSDXSRHIDEGF-RYUDHWBXSA-N 324.348 -0.111 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)c2cnn(C)c2N)CCC1 1062836642 PUVFKNDPAVIKAF-VIFPVBQESA-N 304.354 -0.069 30 20 DBED N#Cc1cnc(NC[C@H]2CCCN2C(=O)Cn2cnnn2)cn1 1063442828 NDWDSONMRPFWCZ-LLVKDONJSA-N 313.325 -0.562 30 20 DBED N#Cc1nccnc1NC[C@H]1CCCN1C(=O)[C@@H]1COC(=O)N1 1063478662 GUXHFLVENNJEDK-KOLCDFICSA-N 316.321 -0.140 30 20 DBED Cc1nc(CC(=O)N2CCO[C@@H](CNC(=O)[C@H](C)C#N)C2)n[nH]1 1065138406 OFXJSINNCYURJW-KOLCDFICSA-N 320.353 -0.841 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCO[C@@H](CNC(=O)c2cnon2)C1 1065278034 FOXQSZFMKUTTAH-QWRGUYRKSA-N 324.337 -0.382 30 20 DBED N#Cc1nc(=NCC2CC(NC(=O)c3nccnc3N)C2)cc[nH]1 1067835567 SHHUZQXKVFCABS-UHFFFAOYSA-N 324.348 -0.237 30 20 DBED N#Cc1nccc(N2C[C@H]3[C@H](CNC(=O)c4cnon4)[C@H]3C2)n1 1068180347 HNRXUQPIONYENQ-OWUUHHOZSA-N 311.305 -0.157 30 20 DBED CCc1nc(C#N)cc(N[C@@H]2C[C@@H](C)N(C(=O)C(N)=O)C2)n1 1069184350 YLMXMSZFCZVBKA-PSASIEDQSA-N 302.338 -0.203 30 20 DBED CN(C(=O)[C@@H]1CNC(=O)N1)C1CC(Nc2cncc(C#N)n2)C1 1069792523 XEARQGPMWXIHSY-RFBVYIQQSA-N 315.337 -0.569 30 20 DBED C=CCN[C@@H]1CN(C(=O)[C@@]23COC[C@@H]2C3)C[C@@H]1n1ccnn1 1070199339 STKDSAAZSGHSNE-XFMPKHEZSA-N 303.366 -0.158 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2cncn2C)C[C@H]1c1cncn1C 1070664577 ZFYNIFIPCVSTKS-CHWSQXEVSA-N 312.377 -0.015 30 20 DBED CC#CCN1C[C@H]2C[C@@H]3CN(C(=O)[C@H]4COC(=O)N4)C[C@@]3(C1)O2 1070793783 PXPRRFFCAAAAOK-BRXULGCHSA-N 319.361 -0.580 30 20 DBED C=CCCOCC(=O)N[C@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1C 1071555813 FCRIXZFCBMKRIQ-RYUDHWBXSA-N 322.369 -0.771 30 20 DBED CC#CCN1C[C@H](NC(=O)CN2CCOCC2=O)CC[C@H]1C 1071575246 UFXHDGONVZCYSN-ZIAGYGMSSA-N 307.394 -0.162 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(C(=O)Cn2cnnc2O)C[C@H]1C 1071943439 OPWOXZXEQSZKGJ-VXGBXAGGSA-N 319.365 -0.250 30 20 DBED CC(C)C#CC(=O)N1C[C@H](C)[C@@H](NC(=O)CCn2cnnn2)C1 1072038090 AEKXIABPGBQVQG-STQMWFEESA-N 318.381 -0.314 30 20 DBED CNC(=O)NCC(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1C 1072046808 YFNJZYCPTOUSPG-CMPLNLGQSA-N 306.366 -0.708 30 20 DBED C#CCNC(=O)CC(=O)N1CCC(C)(NC(=O)CCOC)CC1 1072962315 QEBVRKFFIOJHBF-UHFFFAOYSA-N 323.393 -0.340 30 20 DBED N#Cc1cc(C(=O)NC[C@H]2CN(CC(N)=O)CCCO2)c[nH]1 1073576864 BIMACJZUAGWKJI-LBPRGKRZSA-N 305.338 -0.808 30 20 DBED N#CCN1CCO[C@H]2CCN(C(=O)C34CCN(CC3)C4)C[C@@H]21 1074385846 XUCUULWUMSBZNH-KBPBESRZSA-N 304.394 -0.093 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCC(O)(CNC(=O)[C@H](C)C#N)CC1 1074566506 NGNVQXQRHLAKKY-IUODEOHRSA-N 323.393 -0.057 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CCN(C(=O)COCC)[C@@H](C)C1 1074942533 YFESBFPOWQQTDG-STQMWFEESA-N 323.393 -0.342 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H](C)CCNC(=O)CN(C)C(C)=O 1075680546 WTJSAFZCGCNOKV-XHDPSFHLSA-N 313.398 -0.197 30 20 DBED C=CCOCC(=O)NCC[C@H](C)NC(=O)c1cc(=O)n(C)o1 1075917771 IRJYDDQGUXKDSN-JTQLQIEISA-N 311.338 -0.195 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)CCCC(C)=O 1076217754 GWFOECMTTIUWIZ-LBPRGKRZSA-N 323.393 -0.104 30 20 DBED C#CCOCCC(=O)NCC[C@H](C)NC(=O)[C@H](C)NC(N)=O 1076504207 QCEREAINLBZGLY-QWRGUYRKSA-N 312.370 -0.906 30 20 DBED C#CCO[C@H](C)C(=O)NCC[C@H](C)NC(=O)c1cn(CC)nn1 1076508718 DDQJVTRUWMOJCR-NWDGAFQWSA-N 321.381 -0.039 30 20 DBED C=CCN1CC[C@H](N2C[C@@H](O)[C@H](NC(=O)c3ccco3)C2)C1=O 1076688809 GUYWVPUMQJIXDL-FRRDWIJNSA-N 319.361 -0.159 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)c2ccn(CC(F)F)n2)C1 1077187484 WHVOWCUYJVEIDU-VXGBXAGGSA-N 312.320 -0.054 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)Cn2ccccc2=O)C1 1078159268 LHJQKKGAIPSJPO-VXGBXAGGSA-N 311.769 -0.238 30 20 DBED COCCn1nc(C(=O)N[C@@H]2CN(CC#N)C[C@H]2C)ccc1=O 1080084755 LZNKENCTGAWDFV-DGCLKSJQSA-N 319.365 -0.537 30 20 DBED Cc1cn2nc(C(=O)N[C@@H]3CN(CC#N)C[C@H]3C)cc2c(=O)[nH]1 1080197932 SACSNHBFRIUPLX-BXKDBHETSA-N 314.349 -0.095 30 20 DBED C[C@@H](CC(N)=O)C(=O)NC1(CO)CCN(C(=O)[C@H](C)C#N)CC1 1080932329 HSMRZDAXJZIDOI-WDEREUQCSA-N 324.381 -0.873 30 20 DBED C[C@@H](C#N)C(=O)NC1(CO)CCN(C(=O)c2cnsn2)CC1 1080980062 IUGVCPALWRSMPK-VIFPVBQESA-N 323.378 -0.219 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C[C@@H]1O 1081462436 AAPPNNHTNCDXBM-NJURLYQPSA-N 320.389 -0.526 30 20 DBED Cc1n[nH]cc1C(=O)N1C[C@H](CNC(=O)C#CC2CC2)[C@@H](O)C1 1081474331 PMQCCOQNFAPDGH-JSGCOSHPSA-N 316.361 -0.319 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cncn2C)C1 1081582816 MNMAKNDCEWAAFJ-OCCSQVGLSA-N 318.377 -0.227 30 20 DBED CC(C)C#CC(=O)N1CCCC[C@H]1CNC(=O)CNC(N)=O 1082058252 AXDJGVUIUAOVBL-LBPRGKRZSA-N 308.382 -0.189 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCc3ncncc3C2)C1 1083517032 HZDBJUJKCCRSTB-MAZHCROVSA-N 314.389 -0.234 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@@]2(C)CCCS2(=O)=O)C1 1083851609 HOOWCSRUUZWNGT-MBNYWOFBSA-N 314.407 -0.862 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)c2ccc3oc(O)nc3n2)C1 1083950440 JGMABAXFLOJPOU-ZJUUUORDSA-N 304.306 -0.111 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCCN(C(=O)CCC)C2)C1 1084085524 ZAJPUEGMXQSPAF-KFWWJZLASA-N 321.421 -0.180 30 20 DBED C=CCn1cc(C(=O)N2C[C@H]3CCN([C@@H](C)C(N)=O)C[C@H]32)nn1 1084708800 USVVPJWLHDVKRV-DMDPSCGWSA-N 318.381 -0.516 30 20 DBED C#CCCN1CC[C@@H]2CN(C(=O)c3nccnc3C(N)=O)[C@@H]2C1 1084820388 VGMJLDRZQAQTLB-VXGBXAGGSA-N 313.361 -0.255 30 20 DBED C=CCN1CC[C@@H](N[C@H]2C[C@@H](CNC(=O)c3nc[nH]n3)C2)C1=O 1086227927 MXPQDPZLMRWDIZ-GRYCIOLGSA-N 318.381 -0.310 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)CN2CCCNC2=O)[C@H](O)C1 1090390398 GUQNZZPWWFWZHC-QWHCGFSZSA-N 310.398 -0.471 30 20 DBED N#CCN1CC[C@H](NC(=O)c2cc3n(n2)CCCO3)[C@H](O)C1 1090425733 SDPVVUQIRZCPLR-CMPLNLGQSA-N 305.338 -0.646 30 20 DBED C=CCN1CC[C@H](NC2CC(CNC(=O)c3cnn[nH]3)C2)C1=O 1091115282 IYXWJJLKVWIAEE-MCIGGMRASA-N 318.381 -0.310 30 20 DBED Cc1cc(=N[C@H]2C[C@H](CNC(=O)CNC(N)=O)C2)c(C#N)c[nH]1 1091422820 OWNZQKAGOFXNQR-UMSPYCQHSA-N 316.365 -0.341 30 20 DBED C[C@@H]1[C@@H](NC(=O)CNC(N)=O)CCN1c1ncccc1C#N 1091922605 KYNYUQMZIRYRFL-KOLCDFICSA-N 302.338 -0.295 30 20 DBED C#CCN1C[C@@H](C)[C@H](CNC(=O)c2cn(CCOC)nn2)C1 1092597257 YUJDOYNAXPYUGK-CHWSQXEVSA-N 305.382 -0.145 30 20 DBED CO[C@@H](C(=O)NCCNc1ccc(C#N)nn1)[C@@H]1CCOC1 1094011171 BAXXSGICUYKAJH-ZWNOBZJWSA-N 305.338 -0.072 30 20 DBED CCN1C[C@@H](C(=O)NCCNc2nccnc2C#N)CC1=O 1094190129 BBQWGVHYDSBMAE-JTQLQIEISA-N 302.338 -0.255 30 20 DBED N#Cc1cnc(NCCNC(=O)CN2CCCNC2=O)cn1 1094244802 IVKIOXKQEPQEDI-UHFFFAOYSA-N 303.326 -0.708 30 20 DBED N#Cc1nccnc1NCCNC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1094301792 MCUGFBMINVTZDD-GMXVVIOVSA-N 317.349 -0.072 30 20 DBED Cc1cc(=NCCCNC(=O)CN2CCOCC2)c(C#N)c[nH]1 1094371616 OJKXBVMDOVHTEX-UHFFFAOYSA-N 317.393 -0.066 30 20 DBED Cc1cc(=NCCCNC(=O)CCn2cnnn2)c(C#N)c[nH]1 1094541070 DYVDBYKXTCULKQ-UHFFFAOYSA-N 314.353 -0.321 30 20 DBED N#CCN1CC(N2C[C@H](NC(=O)c3ccncn3)CC2=O)C1 1094796907 GBZIAXMWKKISBG-SNVBAGLBSA-N 300.322 -0.985 30 20 DBED C[C@@H]1CN(C)C[C@H](C(=O)NCCCNc2nccnc2C#N)O1 1094869121 UNDHCRIKPZAAEY-DGCLKSJQSA-N 318.381 -0.014 30 20 DBED N#Cc1nccnc1NC1CCN(C(=O)CCNC(N)=O)CC1 1095228224 AWAMMBVSIDBXAU-UHFFFAOYSA-N 317.353 -0.190 30 20 DBED CNC(=O)CC(=O)N1CCC[C@@H](N=c2cc[nH]cc2C#N)C1 1095289233 WCZGHFYXKJGCTN-GFCCVEGCSA-N 301.350 -0.086 30 20 DBED CCC(=O)NCC(=O)NC1CCN(c2cnc(C#N)cn2)CC1 1095397819 IIKZPFBUMRHOQR-UHFFFAOYSA-N 316.365 -0.041 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1nc(O)nc(O)c1OC 1096341241 WXJABBRMDRJCJG-UTLUCORTSA-N 318.333 -0.135 30 20 DBED CC(=O)N[C@H](C)C(=O)N[C@H]1C[C@@H](Nc2nccnc2C#N)C1 1097145112 VTBNTKMMOQQRFP-IEBDPFPHSA-N 302.338 -0.068 30 20 DBED C[C@@H](CNC(=O)C1CC(=O)NC(=O)C1)Nc1ccc(C#N)nc1 1097936967 PAQMSCCGTYPVBP-VIFPVBQESA-N 315.333 -0.077 30 20 DBED CNC(=O)C1(C(=O)NC[C@@H](C)Nc2ccc(C#N)nn2)CC1 1097938184 CPWYZDIAUFOSJM-SECBINFHSA-N 302.338 -0.209 30 20 DBED C[C@H](CNC(=O)CC1CS(=O)(=O)C1)Nc1cnc(C#N)cn1 1098123444 BGABJDKJWXSQGB-SECBINFHSA-N 323.378 -0.300 30 20 DBED C=CCNCc1cn([C@@H]2CCN(C(=O)[C@H]3CCNC3=O)C2)nn1 1098698061 PDGOYBGDEDPCCP-OLZOCXBDSA-N 318.381 -0.537 30 20 DBED CC(=O)N[C@@H](C)C(=O)NCC[C@@H](C)N=c1cc[nH]c(C#N)n1 1098863593 JPBWZROHOXNLFM-ZJUUUORDSA-N 304.354 -0.399 30 20 DBED N#CCN[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@H]1C(F)(F)F 1099296736 DIBHDZIWDMLDPX-VXNVDRBHSA-N 315.255 -0.114 30 20 DBED Cn1cnnc1CN1CC[C@H](NC(=O)C#CC2CC2)[C@@H](O)C1 1099824303 RNSNFDLHRVBRTC-STQMWFEESA-N 303.366 -0.720 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)c2cncnc2O)[C@@H](O)C1 1099887821 LEHIXTXIKIDEPR-STQMWFEESA-N 322.365 -0.450 30 20 DBED C#CCN1CC[C@H](NC(=O)COc2c(C)occc2=O)[C@@H](O)C1 1099916986 WUDZNTVLUAKGOQ-JSGCOSHPSA-N 320.345 -0.488 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)[C@@H]2[C@H]3COC[C@H]32)[C@@H](O)C1 1099949724 UVJGOACEJYFFHC-AIEDFZFUSA-N 310.394 -0.367 30 20 DBED CN(CCNC(=O)CN1CCOCC1=O)c1ccc(C#N)cn1 1100382488 DMLMQGNEKLNCQY-UHFFFAOYSA-N 317.349 -0.636 30 20 DBED C#CCCNC1CC(CNC(=O)CS(=O)(=O)CCOC)C1 1100452007 QZSGHELXCPAFGJ-UHFFFAOYSA-N 316.423 -0.445 30 20 DBED C=CCNC(=O)CNC1CC(CNC(=O)[C@@]2(C)CCNC2=O)C1 1100668917 LCRQHKJJPUAZGI-PPUFBPAQSA-N 322.409 -0.701 30 20 DBED N#Cc1ccc(N2CC[C@H](CNC(=O)Cn3cnnn3)C2)cn1 1100928126 XIONSJQOXUVKGV-LLVKDONJSA-N 312.337 -0.418 30 20 DBED N#Cc1nccnc1N1CC[C@@H](CCNC(=O)CC(N)=O)C1 1102308251 IEUGOIPQVGWYDI-SNVBAGLBSA-N 302.338 -0.444 30 20 DBED COCC#CCNCC[C@@H]1CN(C(=O)[C@H]2CCNC2=O)C[C@H]1C 1104490137 QPOFIXOFKKSKLN-KFWWJZLASA-N 321.421 -0.154 30 20 DBED N#CCNCc1cn(C2CN(C(=O)Cc3cccnc3)C2)nn1 1105210919 DAGVVIYIGKBMAG-UHFFFAOYSA-N 311.349 -0.088 30 20 DBED Cc1nocc1C(=O)N1CC(n2cc(CNCC#N)nn2)C1 1105317436 YJXWQYKVGFPCSS-UHFFFAOYSA-N 301.310 -0.115 30 20 DBED C[C@@H](CC(=O)N(C)CCN(C)c1nccnc1C#N)NC(N)=O 1105473173 QTDCXCILQRSBFG-JTQLQIEISA-N 319.369 -0.310 30 20 DBED Cc1nonc1C(=O)NC[C@H](O)CNc1ccc(C#N)nc1 1105884801 QVRJPWSXFGCIRT-LLVKDONJSA-N 302.294 -0.153 30 20 DBED Cn1cncc1C(=O)NC[C@@H](O)CNc1ncccc1C#N 1106011266 MMPZQRSWOPRKSC-NSHDSACASA-N 300.322 -0.110 30 20 DBED N#Cc1nc(=NC[C@@H](O)CNC(=O)CCc2ccon2)cc[nH]1 1106019827 RMUPKKQWZOVHFN-LLVKDONJSA-N 316.321 -0.720 30 20 DBED C[C@H]1CCN(CC(=O)NC[C@H](O)CNc2nccnc2C#N)C1 1106105676 WTGKGQOZTYXPMR-RYUDHWBXSA-N 318.381 -0.421 30 20 DBED CC[C@@H](NC(C)=O)C(=O)NC[C@@H](O)CNc1nccnc1C#N 1106123049 IWEIWQFETLRHKD-WDEREUQCSA-N 320.353 -0.848 30 20 DBED C=CCOCCN1CC(n2cc(CNC(=O)COC)nn2)C1 1107108810 IYYZIJXXVUJYOX-UHFFFAOYSA-N 309.370 -0.400 30 20 DBED C=CCCOCC(=O)NCc1cn(C2CN(CC#N)C2)nn1 1107240461 AAPKMCOUDYZYOB-UHFFFAOYSA-N 304.354 -0.133 30 20 DBED CC[C@H](NC(C)=O)C(=O)NC/C=C/CN=c1cc[nH]c(C#N)n1 1107523063 DPWHZUIOADLQCC-ITKZLYELSA-N 316.365 -0.231 30 20 DBED CNC(=O)[C@H](C)N1CCO[C@@](C)(CNC(=O)C#CC(C)C)C1 1107926247 DBYVULSVSZYGOA-BBRMVZONSA-N 309.410 -0.013 30 20 DBED Cc1ncnc(O)c1C(=O)N[C@H](C)CN=c1cc[nH]c(C#N)n1 1108057682 ZCAJHALXECDIRU-MRVPVSSYSA-N 313.321 -0.195 30 20 DBED C[C@]1(CNC(=O)COC2CCOCC2)CN(CC#N)CCO1 1108253628 OHLFERVVIYMDEA-HNNXBMFYSA-N 311.382 -0.087 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)[C@H]1OCCO[C@H]1C 1108760801 IYNFPTRBTBLGIC-KWBADKCTSA-N 305.338 -0.509 30 20 DBED C[C@@H](CN(C)c1ccc2nnnn2n1)NC(=O)CSCC#N 1108868594 DAYILTFIBOGATC-VIFPVBQESA-N 320.382 -0.283 30 20 DBED C[C@H](CN(C)c1ccc(C#N)nn1)NC(=O)Cc1nc[nH]n1 1109081501 VOOBFWMCRUOWPJ-SECBINFHSA-N 300.326 -0.350 30 20 DBED C[C@@H](CN(C)c1ccc(C#N)nn1)NC(=O)[C@@H]1CCNC1=O 1109206300 UQEZYYNFKANLNY-GXSJLCMTSA-N 302.338 -0.575 30 20 DBED C[C@@H](CN(C)c1ccc(C#N)nn1)NC(=O)CC(=O)N(C)C 1109263476 IDLQXTGBOXZYHJ-JTQLQIEISA-N 304.354 -0.233 30 20 DBED C[C@]1(C(=O)NCC2(Nc3ccc(C#N)nn3)CC2)CCNC1=O 1110344666 RCHJKTDGWCJSAP-AWEZNQCLSA-N 314.349 -0.065 30 20 DBED C[C@H](Nc1cnc(C#N)cn1)[C@H]1CCN(C(=O)CNC(N)=O)C1 1111205928 RJRSUJBVOYUNOM-UWVGGRQHSA-N 317.353 -0.335 30 20 DBED N#Cc1nc(=NCCN(CCO)C(=O)c2ccc[nH]2)cc[nH]1 1111415131 SZXHBQBBNPADFW-UHFFFAOYSA-N 300.322 -0.355 30 20 DBED N#Cc1c[nH]ccc1=NCCN(CCO)C(=O)[C@H]1COCCO1 1111425570 OEXIXESPAKHMFX-CQSZACIVSA-N 320.349 -0.977 30 20 DBED CCCN(C)CC(=O)N(CCO)CCNc1cncc(C#N)n1 1111492892 VICISILTXPRQCY-UHFFFAOYSA-N 320.397 -0.077 30 20 DBED COC[C@H](OC)C(=O)N(CCO)CCNc1ccc(C#N)cn1 1111557113 INDJRLKVXXBISH-ZDUSSCGKSA-N 322.365 -0.153 30 20 DBED CCOCC(=O)NC[C@H]1COCCN1c1cncc(C#N)n1 1111651920 ZIXULVUKUNNOPR-LBPRGKRZSA-N 305.338 -0.294 30 20 DBED C=CCOCC(=O)NC[C@H]1COCCN1c1cncc(C#N)n1 1111671128 GGXFJFNXKCQQME-ZDUSSCGKSA-N 317.349 -0.128 30 20 DBED CS(=O)(=O)CC(=O)NCC1(Nc2cncc(C#N)n2)CCC1 1111759122 BRLMPHKKGFKYRZ-UHFFFAOYSA-N 323.378 -0.156 30 20 DBED COC(=O)NCC(=O)N1C[C@@H](C)[C@@H](Nc2cncc(C#N)n2)C1 1112297660 FQFICXKDSXQYSV-KOLCDFICSA-N 318.337 -0.037 30 20 DBED CCOCC(=O)NC[C@H]1CN(c2nccnc2C#N)C[C@H]1O 1112692114 KJGPFBOEUMWCAE-CMPLNLGQSA-N 305.338 -0.702 30 20 DBED CC(=O)NCC(=O)NC[C@@H]1CN(c2ccc(C#N)cn2)C[C@@H]1O 1112695420 USQHAUFBJPSVQW-OLZOCXBDSA-N 317.349 -0.997 30 20 DBED C=CCCN1CCN(C(=O)CN(C)S(=O)(=O)N(C)C)CC1 1112848117 GSDYJUREOLGUDB-UHFFFAOYSA-N 318.443 -0.555 30 20 DBED CN(C)[C@H](C(=O)N1CCN(CC(=O)NCC#N)CC1)C1CC1 1112966405 YCIAFNJSJBBXTD-AWEZNQCLSA-N 307.398 -0.889 30 20 DBED CN(C)CCCC(=O)NC1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]12 1114743333 HBQQVYYUKAWDFS-VXGBXAGGSA-N 307.398 -0.986 30 20 DBED C=CCCCN1C[C@@H]2C(NC(=O)CN3C(=O)CN(C)C3=O)[C@H]2C1 1115212841 LKBQZXMSNQFWBF-RYUDHWBXSA-N 320.393 -0.107 30 20 DBED C#CCCN1C[C@H]2[C@H](NC(=O)CCNC(=O)[C@H]3CCCO3)[C@H]2C1 1115349528 BLCYEAOFCLAQCS-CTASWTNQSA-N 319.405 -0.259 30 20 DBED N#CCCNC(=O)CN1CCC(O)(CN2CCOCC2)CC1 1116510336 HUTCRZOHCWWANP-UHFFFAOYSA-N 310.398 -0.825 30 20 DBED CCN(C)C(=O)[C@@H](C)NC(=O)C(=O)Nc1ccc(C#N)cn1 1117751296 PKCLLUUUYGPTLH-SECBINFHSA-N 303.322 -0.125 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)N2CCC[C@H](O)C2)CCN1C1CC1 1119010666 PBNGCLKZSOSNFJ-STQMWFEESA-N 306.366 -0.832 30 20 DBED C#CCCN(CCOC)C(=O)c1cn(C[C@@H]2CNC(=O)O2)nn1 1119329072 ZKCQXBXJFIYZGB-NSHDSACASA-N 321.337 -0.502 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H](CO)CNC(=O)c1cnsn1 1121091896 GLNFFINMOHFWAD-SECBINFHSA-N 304.335 -0.571 30 20 DBED Cc1cc(CC(=O)NC[C@@H](CO)Nc2nccnc2C#N)n[nH]1 1121288101 OUVGOELJWQWOKR-NSHDSACASA-N 315.337 -0.489 30 20 DBED C#CCOCCC(=O)NC[C@H](CO)Nc1nccnc1C#N 1122029391 SZPALLACGLITIV-LLVKDONJSA-N 303.322 -0.723 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]cc1C#N)C(=O)c1cnn(C)c1 1124029681 HFVYVJJPNUIGGJ-CYBMUJFWSA-N 314.349 -0.346 30 20 DBED CN(C[C@@H](O)CNc1ccc(C#N)nc1)C(=O)c1cnnn1C 1124270699 BGDUXDVJZAUZQA-LBPRGKRZSA-N 315.337 -0.373 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)c2n[nH]c(C)c2O)C1=O 1125734271 MXBSYWNUVSJHJX-SNVBAGLBSA-N 307.354 -0.470 30 20 DBED C#CCOCCC(=O)NCCN[C@H](C)C(=O)NC(=O)NCC=C 1127027753 XZNDCHCUBWUVHM-GFCCVEGCSA-N 324.381 -0.868 30 20 DBED C#CCO[C@@H](C)C(=O)NCCN[C@@H](C)c1nnnn1C1CC1 1127046611 TUKQNSORHYLGAR-QWRGUYRKSA-N 306.370 -0.187 30 20 DBED COCC(=O)N[C@@H](C)C(=O)NCCNCC#Cc1ccccc1 1127967871 RQYLZSFMVFKNID-AWEZNQCLSA-N 317.389 -0.105 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cn(C)nc1C1CC1 1128339004 IBVBZNFBCJOLTQ-UHFFFAOYSA-N 303.366 -0.634 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)C[C@H]2CCN(C)C2=O)C1=O 1130051485 PVPWZKBQMPQIIE-CHWSQXEVSA-N 322.409 -0.653 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)[C@@H](C)CC(N)=O)C[C@@]3(C1)O2 1131251796 CRNUPLCYQOVMNP-VPWBDBDCSA-N 305.378 -0.567 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)Cc1cc(C)nn1C 1131286869 INPQRDOIXJTHIX-GFCCVEGCSA-N 305.382 -0.885 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H](OC)c1cnn(C)c1 1131877388 CSGXBLOKOKIIIU-YPMHNXCESA-N 323.397 -0.496 30 20 DBED C=CCCN1C[C@@H](NC(=O)CNC(=O)CNC(C)=O)CC[C@H]1C 1132131589 GRYPOTYHUNXSMF-OCCSQVGLSA-N 324.425 -0.216 30 20 DBED C=CCOCC(=O)N1CC[C@@H](C)[C@@H](CNCC(=O)NCC#N)C1 1132705494 NARNGVVFSLPWFH-KGLIPLIRSA-N 322.409 -0.097 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@@H](C)Oc1cccnc1 1133625142 AEFJQDRTEQMPSV-QWHCGFSZSA-N 318.377 -0.307 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)c1ccnnc1)NCC(=O)NCC#N 1135541011 XMFUFAJHRBHMOG-WDEREUQCSA-N 304.354 -0.397 30 20 DBED C#CCN[C@@H](C)C[C@@H](C)NC(=O)CCCN1C(=O)CNC1=O 1146216190 IYKNZZMINXZZOF-NWDGAFQWSA-N 308.382 -0.176 30 20 DBED C#CCNC(=O)CN1CCCO[C@H](CNC(=O)c2ccon2)C1 1149263793 OAMQADWNXQACFP-GFCCVEGCSA-N 320.349 -0.755 30 20 DBED CC1CCN(C(=O)C(=O)NC[C@@H]2CN(CC#N)CCCO2)CC1 1150417646 PQTVKJPNCBMKEZ-CQSZACIVSA-N 322.409 -0.024 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)COCCOCC)C1=O 1152502367 YCBWTHKGWNAUKW-CYBMUJFWSA-N 313.398 -0.468 30 20 DBED C=CCNC(=O)CN(CC)[C@H](C)CNC(=O)[C@H](C)NC(N)=O 1152940132 GHHMLCVKLLITDM-MNOVXSKESA-N 313.402 -0.828 30 20 DBED CCN(CC#N)[C@H](C)CNC(=O)CN1CCS(=O)(=O)CC1 1156875698 ISTOBMPZZIDHHL-GFCCVEGCSA-N 316.427 -0.933 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)c1ncccc1O 1156990843 ZILPSDFPSBSMNF-NSHDSACASA-N 304.350 -0.365 30 20 DBED CC(C)C#CC(=O)NCCCNCC(=O)N[C@H](C)C(=O)N(C)C 1157644221 OLIKOPACGFQQMU-CYBMUJFWSA-N 324.425 -0.665 30 20 DBED C#CCN1CCC(CNC(=O)[C@@H]2CC[C@H]2C(N)=O)(COC)CC1 1162401726 UOZYQISRXDGINE-ZIAGYGMSSA-N 321.421 -0.024 30 20 DBED CC#CCNCC1(CCNC(=O)CN2CCN(C)C(=O)C2)CC1 1165879125 RGCFATNXOCTXCF-UHFFFAOYSA-N 320.437 -0.340 30 20 DBED C=CCNC(=O)CNCC1(CCNC(=O)c2nc[nH]n2)CC1 1167483787 IRRNSTNUNDOHHZ-UHFFFAOYSA-N 306.370 -0.403 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@H]1CCN(C(=O)CC)C1 1170368968 LFLRLQPRAIZMSU-ZDUSSCGKSA-N 322.409 -0.910 30 20 DBED CNC(=O)NCCC(=O)N1CC[C@@H]2OCCN(CC#N)[C@@H]2C1 1177001749 WKDJRAGNKVSKIS-NEPJUHHUSA-N 309.370 -0.869 30 20 DBED CNC(=O)NC(C)(C)C(=O)N1CC[C@H]2OCCN(CC#N)[C@@H]2C1 1177156527 JTDBICDGZOVSCB-VXGBXAGGSA-N 323.397 -0.481 30 20 DBED C=CCCOCC(=O)N1CC[C@H](N[C@@H]2CCC(=O)NC2=O)[C@@H]1C 1180261005 WKAJOESFVBPRCY-RWMBFGLXSA-N 323.393 -0.037 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2cc(C)ncn2)C1 1182042130 IGVCPZIVIYYQRV-CHWSQXEVSA-N 315.377 -0.273 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)CCCC(=O)NC)C1 1182121995 VBEGCGOHJNXROY-QWHCGFSZSA-N 322.409 -0.769 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H](C2CC2)N(C)C)C1 1183267767 MRZOUDJTIOMBMW-UKRRQHHQSA-N 308.426 -0.181 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2cn(CC)nn2)C1 1186671284 AKOANCFGURJCCG-NWDGAFQWSA-N 320.397 -0.207 30 20 DBED CN(CC(=O)NCC#N)[C@H]1CCN(C(=O)c2ccncc2)C1 1188625853 JPCDYDIAHITECO-ZDUSSCGKSA-N 301.350 -0.132 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@@H]1CCN(C(=O)c2cocn2)C1 1189354072 MWJOEJWABRJCEM-NWDGAFQWSA-N 304.350 -0.041 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](N(C)CC(=O)NC(N)=O)C1 1192427086 VZDLAPFWYGUHJC-UTUOFQBUSA-N 324.381 -0.695 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2ncccn2)C1 1192987881 OPMFQZODLOWCJU-LBPRGKRZSA-N 301.350 -0.628 30 20 DBED C#CCCN(C)[C@H]1CCN(C(=O)c2cn(C)c(=O)nc2O)C1 1193991864 DUCSUPGZQUHEQJ-NSHDSACASA-N 304.350 -0.345 30 20 DBED C=CCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2COCCN2CC)C1 1194321379 UTEAEHSNYCTIOS-QLFBSQMISA-N 311.426 -0.165 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H](NC(C)=O)C2CCCC2)C1 1194544351 GBIKKWURMUYHRL-OAGGEKHMSA-N 321.421 -0.134 30 20 DBED Cn1ccc(C(=O)N2CCCN(CC(=O)NCC#N)CC2)c1 1195474736 ZSZBBIQBUOSDRJ-UHFFFAOYSA-N 303.366 -0.187 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H](C)CC(C)(C)C)C1 1196716302 FWEPPCCNSFUSMN-MGPQQGTHSA-N 323.437 -0.031 30 20 DBED Cc1nc(C)c(C(=O)N2CCCN(CC(=O)NCC#N)CC2)[nH]1 1197181127 SAVQMCTWGAZABT-UHFFFAOYSA-N 318.381 -0.186 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@@](C)(NC(C)=O)C2CC2)C1 1197752562 QEBKTAGSLUMGKX-FMKPAKJESA-N 307.394 -0.524 30 20 DBED C=CCC[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)CN2C(=O)CCC2=O)C1 1198466938 ZXEMOHQHRQHSKA-JHJVBQTASA-N 323.393 -0.349 30 20 DBED COCC#CCNC[C@H]1CN(C(=O)c2cnccn2)CCCO1 1199724750 JVKPVQDRQPTQKB-AWEZNQCLSA-N 318.377 -0.053 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2CC)CCCO1 1201448481 UBAKEWKIKLOMFZ-RBSFLKMASA-N 321.421 -0.011 30 20 DBED COCC#CCNC1CCN(C(=O)[C@@]2(C)CNC(=O)C2)CC1 1201750893 GIQMEJLCWRGHGR-MRXNPFEDSA-N 307.394 -0.257 30 20 DBED C=CCNC(=O)[C@H](C)NC1CCN(C(=O)[C@@H]2CCC(=O)N2)CC1 1203407730 OYRZAPXPTPGAKW-AAEUAGOBSA-N 322.409 -0.464 30 20 DBED C[C@@H](c1nnnn1C)N1C[C@@H](NC(=O)CSCC#N)[C@H](C)C1 1206090101 KTENBIONESNBIV-OUAUKWLOSA-N 323.426 -0.036 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2cnnn2C)C[C@H]1C 1206964188 YJFCEAKNKNXGJN-YRGRVCCFSA-N 305.382 -0.210 30 20 DBED C#CCOCCC(=O)N1CCC[C@@H](NCC(=O)NC(=O)NC)C1 1208031616 AOZZXFKUZXKNHF-GFCCVEGCSA-N 324.381 -0.938 30 20 DBED CC#CCN[C@@H]1CCCN(C(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 1208686213 CYLQXYNMNIPLNP-OCCSQVGLSA-N 315.377 -0.031 30 20 DBED CC#CCN1C[C@@H](NC(=O)COC2CCN(C)CC2)[C@H](OC)C1 1213638576 VDYCKCBFUIWVIK-HZPDHXFCSA-N 323.437 -0.064 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)/C=C(/C)C2CC2)C1 1219283922 FVGTUCHFAGPTAL-UNKHKNCSSA-N 319.405 -0.358 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CN(CC(=O)NCC2CCC2)C[C@@H]1O 1219589680 DBETWUNJIHALRW-CABCVRRESA-N 319.405 -0.523 30 20 DBED C=CC(C)(C)CC(=O)N[C@@H]1CN(CCOCCO)C[C@@H]1O 1219706801 OOXUOXKZXCMQAG-OLZOCXBDSA-N 300.399 -0.241 30 20 DBED CN1CCC[C@@H]1C(=O)NCC1CCN(CC(=O)NCC#N)CC1 1222640907 DQRJFOHXWSBPSL-CQSZACIVSA-N 321.425 -0.451 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CNC(=O)CC 1225386579 BAUOPYJWUNRTKD-CHWSQXEVSA-N 322.409 -0.721 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CCCC[C@H]1NC(=O)CC(N)=O 1225500921 HQTNVXRNTWRHQP-IJLUTSLNSA-N 310.398 -0.431 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)CN2CCC[C@@H]2C)CC1 1229185924 QPHAQCHFLLQOOD-AWEZNQCLSA-N 320.437 -0.199 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)CCc2cn[nH]c2)CC1 1229551882 BIDNEUYKGVTMBJ-UHFFFAOYSA-N 317.393 -0.328 30 20 DBED COC[C@@H](C)C(=O)NCC[C@H]1CN(CC#N)CCS1(=O)=O 1230435717 ICIPLMPVXONDEZ-NEPJUHHUSA-N 317.411 -0.602 30 20 DBED C[C@H](C#N)C(=O)N(C)C[C@H]1CCN1CCCN1C(=O)CNC1=O 1231294581 ZDHGCJGPISFXMB-VXGBXAGGSA-N 321.381 -0.379 30 20 DBED C#CCn1cc(CNC(=O)CCC[C@@]2(C)NC(=O)NC2=O)cn1 1261758889 NNQOGBMZSGDNDB-OAHLLOKOSA-N 317.349 -0.099 30 20 DBED COc1cncc(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)n1 1321073367 NIJAKGSUMXRXLP-OWBHPGMISA-N 317.305 -0.259 30 20 DBED C[C@H](C#N)OCCN[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 1321298812 LZYTVIZFUHIKRU-JHJVBQTASA-N 317.411 -0.998 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)NCCOC[C@@H]1CCCO1 1322147503 AMYLWVJDUNYRHW-RYUDHWBXSA-N 300.355 -0.385 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N(C)[C@H](C)C1CC1 1325596588 UVXFFOIRJQIEIB-SNVBAGLBSA-N 302.396 -0.040 30 20 DBED COC[C@H](CNC(=O)C(=O)NCc1ccc(C#N)cc1)OC 1326152572 KQLGVOYJCWPJAZ-ZDUSSCGKSA-N 305.334 -0.048 30 20 DBED C=CCOCCNC(=O)C(=O)NCc1ncnn1C(C)(C)C 1327783802 WMBJEMAKOXEARM-UHFFFAOYSA-N 309.370 -0.032 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)C(=O)N2CCC[C@@H](CCO)C2)C1 1328442389 CSRQMTUJZGOGDG-SWLSCSKDSA-N 309.366 -0.516 30 20 DBED C#CC1CCN(C(=O)C(=O)N[C@@H]2CCN(CCOC)C2)CC1 1329334054 VVSVNENZVIXDCZ-CQSZACIVSA-N 307.394 -0.305 30 20 DBED N#CCC1(CNC(=O)C(=O)N2CCC3(CC2)CNC(=O)O3)CC1 1332774686 LBBMTOUQARAPJG-UHFFFAOYSA-N 320.349 -0.103 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N1CC[C@@H](n2cncn2)C1 1336593921 FXRIQWISQPMYNL-QWHCGFSZSA-N 319.365 -0.404 30 20 DBED N#Cc1cccnc1NCCNC(=O)C(=O)NC1CCOCC1 1340579305 VYMJVYFQDBHRRU-UHFFFAOYSA-N 317.349 -0.223 30 20 DBED C=C(Br)CNC(=O)C(=O)NCc1nnc(C)n1C 1341148138 SREMJSWAYXETSA-UHFFFAOYSA-N 316.159 -0.235 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCC[C@@H](c2nccn2C)C1 1342446181 QZXIOELPSXTOMS-CYBMUJFWSA-N 318.377 -0.108 30 20 DBED C#CCN(CC1CC1)[C@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O 1345029902 KQOWGQDGEXMUEH-SNVBAGLBSA-N 318.377 -0.417 30 20 DBED CCn1nc(C)c(CNC(=O)C(=O)N2CC[C@](F)(C#N)C2)n1 1345710173 FLTJHBVWHGDIDY-ZDUSSCGKSA-N 308.317 -0.313 30 20 DBED N#Cc1cn(CCC(=O)N[C@@H]2CCC[C@@H]2CO)c(=O)nc1O 1362544518 RMROWWPJXRWPOQ-MWLCHTKSSA-N 306.322 -0.512 30 20 DBED N#Cc1ncn(CCNC(=O)NCCN2C[C@@H]3CC[C@H](C2)O3)n1 1364607408 NUKAQAHDKKHBRN-TXEJJXNPSA-N 319.369 -0.688 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](C)NC(=O)c1ccn(CCN(C)C)n1 1373076609 WHJHVJIYDXSZMM-NWDGAFQWSA-N 320.397 -0.161 30 20 DBED CCN(CCC#N)C(=O)CN1CC[C@H](N(C)C(=O)COC)C1 1378143115 NHPVRVBXNOLSFV-ZDUSSCGKSA-N 310.398 -0.072 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)CNC(=O)C1CC1 1386004884 JNFTXHBAIGNULG-RTXFEEFZSA-N 318.377 -0.126 30 20 DBED Cc1nc(CC(=O)N[C@@]2(C)CCN(C(=O)[C@H](C)C#N)C2)n[nH]1 1390209062 MTOGWOWEELTECX-OTYXRUKQSA-N 304.354 -0.078 30 20 DBED CCn1cc(C(=O)NCCN(C)c2nccnc2C#N)nn1 1396210291 NSGDZWSRTKLWBT-UHFFFAOYSA-N 300.326 -0.174 30 20 DBED CO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1NC(=O)COCC1CC1 1396410077 LHZAIUWMQMFZCT-CYZMBNFOSA-N 309.366 -0.085 30 20 DBED C[C@@H](C#N)C(=O)NCC1CN(C(=O)c2cccc(C(N)=O)n2)C1 1409175515 CIAYRSMXUSJQIK-VIFPVBQESA-N 315.333 -0.472 30 20 DBED N#Cc1cn(CC(=O)NC2CCN(C3CC3)CC2)c(=O)nc1O 1411616311 HYYXZCXTHIIILY-UHFFFAOYSA-N 317.349 -0.436 30 20 DBED C=C(Cl)CN1CC[C@@H]1CNC(=O)CNS(=O)(=O)N(C)C 1423121054 SBFCKTLACWIMBJ-SNVBAGLBSA-N 324.834 -0.675 30 20 DBED Cc1nnc(CNC[C@H](O)CN(C)C(=O)c2cc(C#N)c[nH]2)o1 1425984456 GCXRXNKEZNTRMR-NSHDSACASA-N 318.337 -0.200 30 20 DBED COC(=O)C1(NS(=O)(=O)N(C)C[C@@H](C)C#N)CCOCC1 1434569458 SPQGFQFJLNBQJM-JTQLQIEISA-N 319.383 -0.366 30 20 DBED COCC(=O)NCCC(=O)NC[C@H](C)N(C)C(=O)[C@H](C)C#N 1449975717 MLSIMGGMJBDIQW-MNOVXSKESA-N 312.370 -0.738 30 20 DBED COC[C@H](C)[C@H](C)C(=O)NCCn1cc(C#N)c(O)nc1=O 1453843186 NGRBZJRYZZQXHS-UWVGGRQHSA-N 308.338 -0.145 30 20 DBED CNC(=O)NCC(=O)N1CCC[C@H](CN(C)C(=O)[C@H](C)C#N)C1 1454234913 XLAXYUJRIHDPRF-VXGBXAGGSA-N 323.397 -0.228 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)c2nc3ncccn3n2)C1 1454346960 ZAHLWOUEJIIXOU-GUBZILKMSA-N 313.321 -0.339 30 20 DBED CNC(=O)CN1CCCN(C(=O)c2cc(C#N)ccn2)CC1 1456040525 NTRYWURQRWJYAZ-UHFFFAOYSA-N 301.350 -0.153 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1ccn(C(F)F)n1 1458003793 QFOVDXAOXRPKGI-JGVFFNPUSA-N 315.280 -0.355 30 20 DBED CC(C)[C@H](C(=O)NCC1(NCC(=O)NCC#N)CC1)N(C)C 1483765238 LDENRTAOLDAIFG-CYBMUJFWSA-N 309.414 -0.549 30 20 DBED CNC(=O)NC(=O)CN1CC[C@@]2(CCN(C(=O)[C@@H](C)C#N)C2)C1 1483840361 ASPQHNYQZDHBCP-XHDPSFHLSA-N 321.381 -0.474 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCNC(=O)CNC(=O)c1ccncc1 1496127094 VGVVWKVAADVCKY-NSHDSACASA-N 317.349 -0.454 30 20 DBED C[C@H](CNC(=O)C1CCS(=O)(=O)CC1)NC(=O)[C@H](C)C#N 1502605885 VHRHFIYBXQZKPE-NXEZZACHSA-N 315.395 -0.408 30 20 DBED C[C@@H](C#N)C(=O)NCC1CN(C(=O)C[C@H]2CCCC(=O)N2)C1 1530881291 WVNLNKGXLAQLHU-CMPLNLGQSA-N 306.366 -0.221 30 20 DBED CC(C)N1CCC(C(=O)NC[C@@H](O)CNC(=O)[C@H](C)C#N)CC1 1533320273 KBRXIXUOKSUNSM-OCCSQVGLSA-N 324.425 -0.140 30 20 DBED C=CCOC[C@H](NC(=O)[C@@H](NC(=O)C1CC1)[C@@H](C)O)C(=O)O 1573369389 RSJGLSMYYNVTSM-MIMYLULJSA-N 314.338 -0.966 30 20 DBED C=CCS(=O)(=O)CCn1c(C)nnc1N1CC[C@@H](NC)C1 1574948158 WBJPNOHZMFDXBE-GFCCVEGCSA-N 313.427 -0.015 30 20 DBED CNC(=O)NC[C@@H]1COCCN1C(=O)[C@H](N)CCCCC#N 1578558220 RITGXYOYBAUYHD-VXGBXAGGSA-N 311.386 -0.446 30 20 DBED Cc1oc(C#N)cc1C(=O)NCC[C@@H]1CNCCS1(=O)=O 1579927469 SOLVCZIUEIUESA-LLVKDONJSA-N 311.363 -0.034 30 20 DBED C#CC[C@@H]1CCN(c2[nH]c(=O)n(C)c(=O)c2-c2nn[nH]n2)C1 1588336737 FDVSWYWFTITPRB-MRVPVSSYSA-N 301.310 -0.897 30 20 DBED C#C[C@H]1CCCN(C(=O)C(=O)N2CC[C@@](COC)(C(=O)O)C2)C1 1588385273 BZDGDYGAJSWRNH-BLLLJJGKSA-N 322.361 -0.192 30 20 DBED C#C[C@@H](NC(=O)[C@H]1CCCN(CC(=O)O)C1=O)C1CCOCC1 1588387531 KEDCNUNIWKCGQS-CHWSQXEVSA-N 322.361 -0.146 30 20 DBED C#CCN1CCC(NS(=O)(=O)c2cc(C(=O)O)no2)CC1 1588476568 ODAHUGLFSRYAKR-UHFFFAOYSA-N 313.335 -0.251 30 20 DBED C=C[C@@H]1OCC[C@H]1CNC(=O)NCCC(=O)NCCC(=O)O 1588917916 JIZHUKXHWZPPAQ-QWRGUYRKSA-N 313.354 -0.142 30 20 DBED C[S@](=O)C1(CNc2cnc(C#N)c(-c3nn[nH]n3)n2)CC1 1591683178 UTFHMCHSPBNPTB-NRFANRHFSA-N 304.339 -0.149 30 20 DBED O=C(N[C@@H]1CCN(O)C1=O)c1cc(-c2nn[nH]n2)ccc1F 1592988995 SEVYEBKGJYLHMB-SECBINFHSA-N 306.257 -0.274 30 20 DBED Cc1[nH]nc(NC(=O)CN2CCC[C@H](C(=O)O)C2=O)c1C#N 1600672076 QDZBNVYWDVHVSH-QMMMGPOBSA-N 305.294 -0.149 30 20 DBED N#CCN(CC(=O)O)C(=O)Cn1ncc2ccccc2c1=O 1601069809 SEISVHVLMABADC-UHFFFAOYSA-N 300.274 -0.167 30 20 DBED N#Cc1ccc([C@H](C(=O)O)N2CCC(O)(C(N)=O)CC2)cc1 1601094775 WJEUKGZUNYJLIB-GFCCVEGCSA-N 303.318 -0.004 30 20 DBED C#CC[C@@H](COC)NC(=O)C(=O)Nc1cncc(C(=O)O)c1 1602674959 HIEZPGCADLTOTP-JTQLQIEISA-N 305.290 -0.127 30 20 DBED C#CC[C@H](NC(=O)c1ccc(S(=O)(=O)NC)cc1)C(=O)O 1602693376 RMKFTDCEYNESJM-NSHDSACASA-N 310.331 -0.199 30 20 DBED N#Cc1cc(O)cc(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)O)c1 1605597343 NNDMVWCZOCKHFN-LLVKDONJSA-N 324.314 -0.412 30 20 DBED O=C(O)CN1CCC[C@H](C(=O)NCC#C[C@H]2CCCCO2)C1=O 1606250137 JKYKYBXJOPVHNV-CHWSQXEVSA-N 322.361 -0.002 30 20 DBED O=C1N=C(NN=Cc2cc(C(=O)O)c3n2CCCC3)NC1=O 1609044776 WOUYUCLNFIMOHT-UHFFFAOYSA-N 303.278 -0.542 30 20 DBED C[C@H](NC(=O)N1CCN(CCC#N)CC1)[C@H]1CN(C)CCN1C 1649314235 XHBKZCOAXPXOMC-LSDHHAIUSA-N 322.457 -0.138 30 20 DBED C[C@@H](CCNC(=O)[C@@]1(C)CCCOC1)NCC(=O)NCC#N 1713420893 VFYDFGSXAULEQY-WFASDCNBSA-N 310.398 -0.073 30 20 DBED C#CCNC(=O)CN[C@@H](C)CNC(=O)CCc1cn(C)nc1C 1752905662 FILUHQAOEAMZPQ-LBPRGKRZSA-N 319.409 -0.495 30 20 DBED N#CCNCCNC(=O)[C@H]1CCCN(C(=O)[C@@H]2CCCO2)C1 1752923690 FYEJSTWEDUXDKH-STQMWFEESA-N 308.382 -0.367 30 20 DBED C#CCNC(=O)CNC[C@@H]1CCN(C(=O)c2ccncn2)C1 1752954258 QVRFQJCKBIQFFV-LBPRGKRZSA-N 301.350 -0.722 30 20 DBED C=CCNC(=O)[C@@H](C)NCCN(C)C(=O)Cc1[nH]cnc1C 1753257532 ZISZQRRYBRHOGS-GFCCVEGCSA-N 307.398 -0.001 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@@H](N(C)C(=O)Cc2cnoc2)C1 1753441121 CEXOFFAQLMIMEA-TZMCWYRMSA-N 318.377 -0.112 30 20 DBED CC#CCNC[C@H](C)CNC(=O)c1nc(C)n(-c2nc[nH]n2)n1 1753628020 XKXGCEDTDVEYIN-JTQLQIEISA-N 316.369 -0.327 30 20 DBED C=CCNC(=O)[C@H](C)N1CC(N(C)C(=O)c2cnccn2)C1 1754570233 VOSDGDQZVDAHRH-NSHDSACASA-N 303.366 -0.077 30 20 DBED C[C@@H](CNC(=O)c1n[nH]c2c1CCC2)N(C)CC(=O)NCC#N 1755306831 SHRIDSFFNLGKFB-JTQLQIEISA-N 318.381 -0.412 30 20 DBED COCC#CCN1CC(CCO)(NC(=O)CCn2cccn2)C1 1755330288 MNJQRXIPYDFXJW-UHFFFAOYSA-N 320.393 -0.524 30 20 DBED CC(C)C#CC(=O)N1CCO[C@H]([C@H](C)NCc2nnn(C)n2)C1 1755442353 QFQPNNQDQOCVHI-STQMWFEESA-N 320.397 -0.425 30 20 DBED CC(=O)Nc1ccc(C(=O)NC[C@H](CO)NCC#N)cc1F 1755648712 IHLYMKZRLNLJGJ-LLVKDONJSA-N 308.313 -0.012 30 20 DBED C=CCCN[C@@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)[C@@H]1C 1755666399 CQFSVZLRSNPCTJ-GHMZBOCLSA-N 306.370 -0.468 30 20 DBED CCC(=O)NCC(=O)N1C[C@H](NCC#CCOC)C(C)(C)C1 1755753240 KFKDHIPGUWTEGD-ZDUSSCGKSA-N 309.410 -0.011 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C[C@H](O)CNCc1nnc(C)o1 1755779246 GOJRXXBNEXDNMC-ZYHUDNBSSA-N 310.354 -0.675 30 20 DBED COCC#CCN(C)C[C@@H](O)CN(C)C(=O)Cc1cncn1C 1755807276 RIUFBUWHHCQYLH-OAHLLOKOSA-N 322.409 -0.637 30 20 DBED CC(C)C#CC(=O)N1C[C@@H]2C(CNC(=O)[C@@H]3COC(=O)N3)[C@H]2C1 1756200270 QBFLQWOAJGJUSF-UPJWGTAASA-N 319.361 -0.425 30 20 DBED C=CC(C)(C)C(=O)NC[C@H](CO)NC(=O)Cn1ccnc1C 1756539592 FCSHXQALRQKQMA-GFCCVEGCSA-N 308.382 -0.003 30 20 DBED C=CCCOCC(=O)N[C@H]1C[C@H]2CC[C@H]1N(C(=O)CC(N)=O)C2 1757047287 SYDLEMGRVVACAW-FRRDWIJNSA-N 323.393 -0.050 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@H](NC(=O)COCC(F)F)C1 1757194494 YUXSWBHPIVYPAS-MNOVXSKESA-N 318.320 -0.241 30 20 DBED C#CCCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)NC=O)C2)C1 1781253094 RAWJEPPLWZRPCJ-CZUORRHYSA-N 321.377 -0.636 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)CCc1cn[nH]c1)CCO2 1783047766 GYICFUPFEFUBHP-MRXNPFEDSA-N 316.361 -0.195 30 20 DBED C[C@H](CN)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC#N)C[C@@H]21 1786784053 XRRLXZWUEHFANB-RFGFWPKPSA-N 322.409 -0.135 30 20 DBED COCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)S)[C@H]2C1 1791259466 BFZGGDMUPHGLEK-BJDJZHNGSA-N 316.423 -0.069 30 20 DBED COC[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C#CC(=O)O 1847864881 BTCMPVXXODAIEO-WOPDTQHZSA-N 308.334 -0.441 30 20 DBED C#CCNC(=O)COC(=O)CN1C(=O)c2ccc(C)cc2C1=O 27733654 WQPVIRMLGSAVEH-UHFFFAOYSA-N 314.297 -0.116 30 20 DBED N#Cc1ccccc1N1CCN(C(=O)Cn2cn[nH]c2=O)CC1 132522620 ZYHMZDDYBPHXFL-UHFFFAOYSA-N 312.333 -0.208 30 20 DBED COCCNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 135090543 OPMODOHVTRDENF-SNVBAGLBSA-N 311.363 -0.012 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H](OC)C2)C1=O 263956014 MVLHQSWVAGVRJY-SNVBAGLBSA-N 309.322 -0.399 30 20 DBED Cn1c(NC[C@@H](O)Cc2ccccc2)c(C#N)c(=O)n(C)c1=O 264078691 HMPNZFRWJJSUJA-LBPRGKRZSA-N 314.345 -0.029 30 20 DBED N#C[C@@H]1COCCN1C(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 267161620 KJMMUCRBSWZMOS-ZCURGHERSA-N 315.329 -0.456 30 20 DBED COc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1CC(=O)N(C)C1 267341494 IPWHTGXWWWUSHV-JTQLQIEISA-N 316.317 -0.148 30 20 DBED C=CCCN(C)C(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 276344859 GPKCYKOZVALGOW-UHFFFAOYSA-N 319.365 -0.142 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@H](OC)C[C@H]2C)C1=O 281688685 FTDUNLZTBOAAKI-MNOVXSKESA-N 323.349 -0.011 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCNC(=O)[C@H]1C 292230482 AYFJSLNOBTUKKI-UTUOFQBUSA-N 309.366 -0.569 30 20 DBED C#CCN(C)CCCNC(=O)c1nc(C)n(-c2nnc[nH]2)n1 293869985 BUPRJYWPHKLTPS-UHFFFAOYSA-N 302.342 -0.621 30 20 DBED Cn1c(N[C@@H]2CCCN(CCCO)C2)c(C#N)c(=O)n(C)c1=O 295047123 XGDOZVQOHFUGCD-LLVKDONJSA-N 321.381 -0.786 30 20 DBED CCN1CCC[C@H]1CN/C(N)=N/C[C@@H]1CCCS1(=O)=O 305065826 IQVWRWHJPALPMC-RYUDHWBXSA-N 302.444 -0.048 30 20 DBED O=S1(=O)CC[C@@H](N/C(O)=N/CCN2CCSCC2)C1 329435740 LQJSFRPWBCPOBP-SNVBAGLBSA-N 307.441 -0.274 30 20 DBED CN1CCO[C@@H]2CN(S(=O)(=O)c3cncc(C#N)c3)C[C@@H]21 329511953 KUKJCEWHOSUCQI-QWHCGFSZSA-N 308.363 -0.343 30 20 DBED C=CCN1CC[C@@H](N2CCN(S(=O)(=O)CC)CC2)C1=O 330386246 LZYSCNOJMLYOFW-GFCCVEGCSA-N 301.412 -0.259 30 20 DBED CS(=O)(=O)c1ccc(N=C(O)N[C@H]2CCCNC2=O)cn1 330401857 APBDHKFWAMDWMY-VIFPVBQESA-N 312.351 -0.101 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)c2snnc2C)CC1 330656830 QZRZUEFUVSJELT-UHFFFAOYSA-N 309.395 -0.093 30 20 DBED CO[C@@H]1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)[C@H](C)C1 337182069 BEPKTYQQFXWZQV-IJLUTSLNSA-N 303.384 -0.045 30 20 DBED N#Cc1ccc2c(c1)N(C(=O)C(=O)N[C@H]1CCC(=O)NC1)CC2 339814420 LIOMTVJPODBKCO-LBPRGKRZSA-N 312.329 -0.158 30 20 DBED CC[C@](C)(NCCS(=O)(=O)c1ccc(C#N)cn1)C(N)=O 343881176 TVWWFKIAXCFZEG-ZDUSSCGKSA-N 310.379 -0.029 30 20 DBED COCCNC(=O)CNC(=O)Nc1cc(C)n(CCC#N)n1 348199989 RNTMPEQDMUVAOQ-UHFFFAOYSA-N 308.342 -0.011 30 20 DBED CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1CNC(=O)C1 440461818 BMCHXEAVDIMEIO-SNVBAGLBSA-N 316.317 -0.100 30 20 DBED C=C(C)CNC(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 488567782 ACVGLSTYDGXKNI-SNVBAGLBSA-N 303.384 -0.445 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CC[C@H](CS(C)(=O)=O)C1 490421988 WKQBDCACWNKPMD-NSHDSACASA-N 323.440 -0.167 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2C[C@]23CCOC3)CC1 490972645 HDOXDYWWDMVEDJ-PBHICJAKSA-N 319.405 -0.303 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)Cc2ccc(C)nc2)CC1 491167465 YASVNQKKVIJRGL-UHFFFAOYSA-N 314.389 -0.174 30 20 DBED C#CCN(CC(=O)N1CCN(CC(=O)N(C)C)CC1)C1CC1 491810210 ZNMUTRAHOUOSPY-UHFFFAOYSA-N 306.410 -0.684 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCO[C@H]2CC)C1=O 556735472 UAKBWYHYMXGPTI-ZJUUUORDSA-N 309.322 -0.353 30 20 DBED C=CCSCCNC(=O)C(=O)NC[C@H](C)S(C)(=O)=O 557015484 WPRWJHLFTLCVPI-VIFPVBQESA-N 308.425 -0.429 30 20 DBED CC[C@H](C(=O)Nc1n[nH]c(CCCNC)c1C#N)C(=O)OC 558937891 QZMAJJDPOCSMHJ-SECBINFHSA-N 307.354 0.571 30 20 DBED CC(C)(CC#N)CS(=O)(=O)N1CCN(C(=O)CO)CC1 579253286 OOTCKHCOUKPCTH-UHFFFAOYSA-N 303.384 -0.607 30 20 DBED COc1cc(C#N)ccc1NC(=O)C(=O)NC(C)(CO)CO 580838071 SRQOTEMQKQHGQT-UHFFFAOYSA-N 307.306 -0.635 30 20 DBED CC[C@@H](C#N)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 593394632 QSXZRDQPEDUPNP-LBPRGKRZSA-N 322.365 -0.934 30 20 DBED Cc1cc(NC(=O)C(=O)N2CCC[C@@H]2[C@@H](C)O)nn1CCC#N 595179194 SOKVYLDCLGGTMY-VXGBXAGGSA-N 319.365 0.416 30 20 DBED C=CCCSCCNC(=O)C(=O)N1C[C@@H](O)[C@@H](CO)C1 595189240 QOCYHIHTOAIPAT-GHMZBOCLSA-N 302.396 -0.777 30 20 DBED COC(=O)C[C@H](O)CNC(=O)COc1ccc(C#N)cc1OC 600466850 AGFMPLHINUVFPO-NSHDSACASA-N 322.317 -0.014 30 20 DBED C=CCOC[C@H](NC1CCN(S(C)(=O)=O)CC1)C(=O)OC 619509458 WSLRBLXUBZAGAR-LBPRGKRZSA-N 320.411 -0.256 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)c2nonc2C)CC1 736673463 KLRLBCWDNUJHQY-UHFFFAOYSA-N 305.338 -0.725 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)Cn1nnnc1C(C)C 747028005 KLUCIXGTPJKGCM-VIFPVBQESA-N 324.341 -0.260 30 20 DBED C[C@H](CS(C)(=O)=O)C(=O)O[C@@H](C)C(=O)N(C)CCC#N 747082871 WXZCPBUUDOJPPP-ZJUUUORDSA-N 304.368 -0.029 30 20 DBED C=CCN(CC(=O)OCC)C(=O)CCCN1C(=O)CNC1=O 757966197 MWXMHQHSWJPAQL-UHFFFAOYSA-N 311.338 -0.104 30 20 DBED C=CCS(=O)(=O)CCNC(=O)NCCC(=O)NCCC 782999096 KJGHPYWYTMYJSV-UHFFFAOYSA-N 305.400 -0.197 30 20 DBED C#CCO[C@H](C)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 823092198 SOZIYSJEXYGUGD-CQSZACIVSA-N 307.394 -0.209 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)Cc2ccn(CC)n2)CC1 845432667 MAENCSAFXLNKAB-UHFFFAOYSA-N 317.393 -0.661 30 20 DBED C[C@H]1CN(C(=O)C(=O)Nc2cnn(CC#N)c2)C[C@@]1(C)CO 850707110 OUVJZHHHUQBWKM-HZMBPMFUSA-N 305.338 -0.178 30 20 DBED C=CCONC(=O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 854120036 ULECADUNARLSJD-UHFFFAOYSA-N 315.355 -0.457 30 20 DBED C#CCONC(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1 855603007 JALFVHLTIDMMRJ-ZDUSSCGKSA-N 309.366 -0.619 30 20 DBED COCCN(CC#N)C(=O)[C@@H](CO)NC(=O)OC(C)(C)C 861942649 PFRWKTGGROOBFD-SNVBAGLBSA-N 301.343 -0.129 30 20 DBED C=C(Cl)C[C@H](NS(=O)(=O)CCS(C)(=O)=O)C(=O)O 863420791 NBBGOHFONZZEGY-ZETCQYMHSA-N 319.788 -0.454 30 20 DBED C#CCNS(=O)(=O)N1CCN(c2nccc(OC)n2)CC1 872633797 NEPIZDOWRBKXNG-UHFFFAOYSA-N 311.367 -0.925 30 20 DBED C#CCn1cc(CNS(=O)(=O)N2CCC(OC)CC2)cn1 882349402 OCNGDLMYCKZFHM-UHFFFAOYSA-N 312.395 -0.039 30 20 DBED C#CCN1CCC[C@H](NC(=O)N2CC(NS(C)(=O)=O)C2)C1 890360781 BIKYADGNSZQQJA-NSHDSACASA-N 314.411 -0.973 30 20 DBED CN(C)C[C@](C)(C#N)NC(=O)CN1CCCCS1(=O)=O 890886669 MXMCBCNEKWPQTN-LBPRGKRZSA-N 302.400 -0.628 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)Cc1cnn(C)c1 936590826 WUJOVMHMMMYGJU-WXHSDQCUSA-N 301.350 -0.066 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)Cn3cnnn3)C2)cc1 941964666 HFZYAAUJMRZLII-CQSZACIVSA-N 324.344 -0.315 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2[C@H]3C[C@H]2N(C(=O)c2nc[nH]n2)C3)c[nH]1 946959344 RHACEGXTACVIDS-JMJZKYOTSA-N 311.305 -0.353 30 20 DBED CCN1C[C@@H](C(=O)NC[C@H]2CCN2C(=O)C#CC2CC2)CC1=O 950403970 JXBDSBALGIXQTM-UONOGXRCSA-N 317.389 -0.015 30 20 DBED C[C@H](C#N)C(=O)N1[C@H]2CCC[C@H]1CN(C(=O)[C@H]1C[C@H]1C(N)=O)C2 952801628 DBXWIGNBEHBPGV-SJHCENCUSA-N 318.377 -0.141 30 20 DBED C=C1CC(C)(C(=O)N2CC(N(C)C(=O)Cn3cnnn3)C2)C1 953686279 SQEPJOBGRQUMMV-UHFFFAOYSA-N 304.354 -0.301 30 20 DBED C[C@H](C#N)C(=O)N1CC(N(C)C(=O)c2c[nH]c(C(N)=O)c2)C1 954329911 QQQQIBVPTWUNBR-MRVPVSSYSA-N 303.322 -0.444 30 20 DBED COc1nc(C(=O)N(C)[C@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)co1 958898417 FJUSIOAZMHSTNV-MIMYLULJSA-N 322.321 -0.513 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cn[nH]c1 960073675 SQNZDXYETWDGMR-ADEWGFFLSA-N 303.322 -0.379 30 20 DBED C[C@@H]1C[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 962118684 OFFOTUCPTFPSNX-DXLKZPDWSA-N 302.334 -0.156 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H](NC(=O)Cn2cnnn2)CC1 964710878 SMFHPWCPWQYGBD-GHMZBOCLSA-N 305.342 -0.670 30 20 DBED C[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1NC(=O)c1cc(C#N)c[nH]1 966681885 KXFFYUZKDPXJNT-KCJUWKMLSA-N 313.321 -0.105 30 20 DBED CCN(C(=O)c1cnnn1C)C1CN(C(=O)C#CC2CC2)C1 967919785 VIFJDEVPBWWPBV-UHFFFAOYSA-N 301.350 -0.099 30 20 DBED CNC(=O)[C@H](C)N1C[C@H]2[C@H](CNC(=O)c3cc(C#N)c[nH]3)[C@H]2C1 977974525 ITSUDURWSVYCSF-XYJRDEOASA-N 315.377 -0.072 30 20 DBED C=CCn1cc(C(=O)N[C@H]2C[C@H](CN[C@H]3CCNC3=O)C2)nn1 984902657 PFUDWQDKWFFBDO-SRVKXCTJSA-N 318.381 -0.549 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)c3cn(C)nn3)C[C@H]2C1 986593978 GDEQSUSTVKAGCK-UTUOFQBUSA-N 316.365 -0.105 30 20 DBED C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2nc(O)nc(O)c2OC)C1 989677106 VFLXOVNPDCDDIC-RKDXNWHRSA-N 306.322 -0.278 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN(C(=O)CC(C)(C)O)C1 994751049 LVBAMCFKHPDZRG-ZDUSSCGKSA-N 307.394 -0.428 30 20 DBED C[C@H](C#N)C(=O)N1CC(N2C[C@H](NC(=O)C3(C)CC3)CC2=O)C1 995494352 MOUSHPLJNKKLOD-GHMZBOCLSA-N 318.377 -0.126 30 20 DBED C=CCn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)COC)nn1 996518391 DNUSQLKKTXHICF-MDZLAQPJSA-N 319.365 -0.028 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)Cn3ccnc3)C2)cn1 997103363 IDQMGHUDMFGHTG-UHFFFAOYSA-N 309.329 -0.100 30 20 DBED C[C@@H](C#N)C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1nnn(C)n1 999407226 BJMHYFCOHMFEPN-JXUBOQSCSA-N 303.326 -0.769 30 20 DBED N#CCN1CC[C@H](n2cc(CNC(=O)c3cnccn3)nn2)C1 999963503 SIKMNOHTHOAMJO-LBPRGKRZSA-N 312.337 -0.232 30 20 DBED C=CCn1cc(C(=O)NCC2CCN(CC(=O)NC)CC2)nn1 1001919665 XPOSYEMNOTYQTJ-UHFFFAOYSA-N 320.397 -0.348 30 20 DBED C[C@@H](C#N)C(=O)N1CC(CNC(=O)c2cccc(C(N)=O)n2)C1 1002668160 KTWRBBIKDSIGTQ-VIFPVBQESA-N 315.333 -0.472 30 20 DBED Cn1nnc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C#CC2CC2)n1 1005179103 ZHGHZKAGOLCSJG-UTUOFQBUSA-N 314.349 -0.515 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@]2(CN(C(=O)c3cnn[nH]3)CCO2)C1 1007715508 DLCRDKXOABREPB-IINYFYTJSA-N 318.337 -0.592 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H]2C(CNC(=O)[C@H]3CNC(=O)N3)[C@H]2C1 1009446828 SEFZPJXFBDDORV-IJLUTSLNSA-N 320.393 -0.299 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CCN(CC(=O)N3CCC3)C2)[nH]1 1010647945 CMBALBMLWWNHKH-GFCCVEGCSA-N 301.350 -0.077 30 20 DBED C[C@H]1C[C@H](NC(=O)c2ccc(C#N)[nH]2)CN1C(=O)CC(N)=O 1012408167 OBMANQZBESQAHE-WPRPVWTQSA-N 303.322 -0.519 30 20 DBED C#Cc1ccc(C(=O)NC2[C@@H]3CN(C(=O)c4cnon4)C[C@@H]23)cn1 1013514022 VHCAGXUPLDSQPO-VXGBXAGGSA-N 323.312 -0.054 30 20 DBED C#Cc1cncc(C(=O)N2C[C@@H]3C(NC(=O)c4cnon4)[C@H]3C2)c1 1013637837 BCDMVSLFHXYKLI-RYUDHWBXSA-N 323.312 -0.054 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2C[C@@H](C)N(C(=O)C(N)=O)C2)c1 1013977831 WYOPDSSBBSEEGL-BXKDBHETSA-N 300.318 -0.733 30 20 DBED C#CCCN1CC[C@H](NC(=O)Cn2ncn3nccc3c2=O)C1 1015788627 IKYPVUJYUBJVHE-LBPRGKRZSA-N 314.349 -0.895 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@H](NCCN2C(=O)CNC2=O)C1 1019238182 PNPIVBZCJDGXOE-NSHDSACASA-N 308.382 -0.059 30 20 DBED O=C(C#CC1CC1)N1C[C@@H]2CCN(C(=O)Cn3cnnn3)[C@@H]2C1 1021040935 NPCSZDLAYVDBTG-QWHCGFSZSA-N 314.349 -0.854 30 20 DBED C=CCN1CC[C@@H](N[C@H]2C[C@@H](NC(=O)[C@H]3CCNC3=O)C2)C1=O 1022540959 BASQLRQNFZFZEJ-QNWHQSFQSA-N 320.393 -0.854 30 20 DBED CC[C@@H](OC)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 1023328057 VVUKCKHUICISKA-JHJVBQTASA-N 320.349 -0.387 30 20 DBED Cc1cn(C)nc1C(=O)N[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1O 1023646864 TZJFGDHUAKUDST-FBIMIBRVSA-N 305.338 -0.810 30 20 DBED O=C(Cc1ccc[nH]1)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1023996649 OUEAXVSMEDXVKI-ZIAGYGMSSA-N 301.346 -0.342 30 20 DBED C=CCN[C@@H]1CC[C@@H]2CN(C(=O)CN3CCNC(=O)C3)C[C@@H]21 1026331531 WEIKWKDUPSJTFE-HZSPNIEDSA-N 306.410 -0.569 30 20 DBED Cc1nn(CC(=O)NC2CCC(NCC#N)CC2)c(=O)n1C 1026600015 ZRYCGDGAXWNIKS-UHFFFAOYSA-N 306.370 -0.569 30 20 DBED C#CCN1CCC[C@H]1CNC(=O)[C@H]1CCc2nnnn2CC1 1028150441 QQIFCFVGIYUBFW-STQMWFEESA-N 302.382 -0.161 30 20 DBED C=CCCN1CCO[C@@H](CNC(=O)c2cnc(O)n(C)c2=O)C1 1035466793 JGXNGUNHECOKMW-NSHDSACASA-N 322.365 -0.507 30 20 DBED CC#CCN1CCO[C@@H](CNC(=O)[C@@H]2CCc3nn[nH]c3C2)C1 1035575257 YSGRUSBXCUHUPH-OLZOCXBDSA-N 317.393 -0.250 30 20 DBED Cc1cn2ccnc(C(=O)NC[C@@H]3CN(CC#N)CCO3)c2n1 1035579037 VUNPOVFTBUYAQE-GFCCVEGCSA-N 314.349 -0.008 30 20 DBED CC(C)C(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1CN(CC#N)CCO1 1035609559 LOQILCNQUMFDDH-ZIAGYGMSSA-N 322.409 -0.026 30 20 DBED C=CCCN1CCO[C@H](CNC(=O)[C@@H]2CCCN2C(N)=O)C1 1035621338 ADFFOUHYOYURQF-OLZOCXBDSA-N 310.398 -0.077 30 20 DBED C#CCN1CCO[C@H](CNC(=O)c2cnc(OCC)cn2)C1 1035628720 ZCBVGGSRHAQOIM-GFCCVEGCSA-N 304.350 -0.061 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)c3cc(=O)n(C)cn3)CC[C@@H]21 1036740285 PIGAEUBIVFGFOB-OCCSQVGLSA-N 300.362 -0.050 30 20 DBED CC#CCN1CC[C@H]2CN(C(=O)Cn3c(O)nnc3O)CC[C@@H]21 1036880025 XVZKBJNTCMHDNK-RYUDHWBXSA-N 319.365 -0.365 30 20 DBED CC(C)C#CC(=O)NC[C@@]1(O)CCN(C(=O)c2cnns2)C1 1039664518 RNCRVDNPJONKSJ-AWEZNQCLSA-N 322.390 -0.109 30 20 DBED C=CCOCC(=O)N1CC[C@@](O)(CNC(=O)c2cnco2)C1 1040388400 PSKLWLLSPQITOR-CQSZACIVSA-N 309.322 -0.430 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)c2ccncc2)C1 1040759679 CHSQFPKWEGNVJT-NHYWBVRUSA-N 302.334 -0.066 30 20 DBED Cc1ncn(C)c1C(=O)N1CC[C@](O)(CNC(=O)[C@H](C)C#N)C1 1040761804 WBDNTKRJMPAFDO-BMIGLBTASA-N 319.365 -0.419 30 20 DBED Cn1nnc(C(=O)N2CC[C@H]3CN(c4ncccc4C#N)C[C@H]32)n1 1040782705 QKTMMZITFARKIY-NWDGAFQWSA-N 324.348 -0.172 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(O)(CNC(=O)[C@@H]2CCOC2)C1 1041879142 XWMPRONDTQSVFQ-RISCZKNCSA-N 312.366 -0.961 30 20 DBED C=CCCOCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCOC2)C1 1041888695 HHKHXPNCZFTYEK-GFCCVEGCSA-N 312.366 -0.695 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]3CC[C@H]2O3)C1 1042166994 LREJMWGOWTVZAP-JHJVBQTASA-N 324.377 -0.554 30 20 DBED N#CCN1CC[C@@H]2CCN(C(=O)C3CC(=O)NC(=O)C3)C[C@H]21 1042269936 MKVHMYLPCIBAFE-ZYHUDNBSSA-N 304.350 -0.514 30 20 DBED N#CCN1CC[C@@H]2CCN(C(=O)CN3C(=O)CCC3=O)C[C@H]21 1042346008 OOCCCYCKANPVGJ-VXGBXAGGSA-N 304.350 -0.418 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)C[C@@H]2CCCCO2)C1 1042478114 PCLYYVKLRUOJJB-NEPJUHHUSA-N 309.366 -0.205 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(O)CN(C(=O)c2ccncc2)C1 1042809937 SQTKZYNOOCMMSL-HNNXBMFYSA-N 319.361 -0.288 30 20 DBED Cn1cc(C(=O)N[C@@H]2CN(c3cnc(C#N)cn3)C[C@@H]2O)cn1 1043853527 IAZFQHWBCVJCKO-NEPJUHHUSA-N 313.321 -0.939 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)C(C)(C)NC(C)=O)C1 1043895516 FLFPPDSKIKZUFC-UHFFFAOYSA-N 323.393 -0.606 30 20 DBED C[C@@]1(C(=O)N[C@@H]2CN(c3ccc(C#N)nn3)C[C@@H]2O)CCOC1 1044144016 DHJYVIBMQOZKTN-TYNCELHUSA-N 317.349 -0.559 30 20 DBED C[C@@H]1C[C@@H](NCC#N)CCN1C(=O)CCc1nnc(O)nc1O 1044655448 CEMHCHPNRORFQD-ZJUUUORDSA-N 320.353 -0.292 30 20 DBED C[C@]1(C(=O)NCC2(O)CN(C(=O)C#CC3CC3)C2)CCOC1 1045298502 MFDNNMVMYGFCLN-HNNXBMFYSA-N 306.362 -0.484 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)Cc2ncccc2F)C1 1045564156 CXNQTLAXMDJKEK-JTQLQIEISA-N 320.324 -0.388 30 20 DBED C#CCN1CCC(C)(NC(=O)[C@@H]2CCN(C)S2(=O)=O)CC1 1045586084 HLLCFAKQXVRFFG-LBPRGKRZSA-N 313.423 -0.376 30 20 DBED C[C@@H]1CN(C)C[C@@H]1C(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1046684936 NFVZXASXMKUEJO-OCCSQVGLSA-N 319.405 -0.713 30 20 DBED C=CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@]2(C)CCC(=O)NC2)C1 1047498289 OLCPWTAGUIMHQE-HEHGZKQESA-N 309.410 -0.018 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(=O)n(CC)n2)C1 1047567824 XFGCXAZRSRIHRV-STQMWFEESA-N 304.350 -0.987 30 20 DBED C#CCCCC(=O)N(C)[C@H]1CN(C(=O)CCOCC#C)C[C@@H]1O 1048754161 MKJFYDXIWFCPAR-GJZGRUSLSA-N 320.389 -0.140 30 20 DBED C=CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(C)n2)C1 1049082544 XQXUQDOCSLKETC-STQMWFEESA-N 321.381 -0.185 30 20 DBED C#CCN1C[C@@H]2CCCN(C(=O)[C@@H]3CN(C(C)=O)CCO3)[C@@H]2C1 1050193024 ZBGKYQHXSBYSFH-XHSDSOJGSA-N 319.405 -0.210 30 20 DBED C#CCCN1CCOC[C@@H]1CNC(=O)c1ccc2nnnn2c1 1051022514 CABSDCMDSKZCMZ-ZDUSSCGKSA-N 314.349 -0.422 30 20 DBED Cc1nonc1C(=O)N1CC[C@@H](N2CCN(CC#N)CC2)C1 1052123375 GFUMOTLHQUYZOB-GFCCVEGCSA-N 304.354 -0.266 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)[C@H](C)n1cncn1)CCO2 1053227251 VUDJDPFIBUXQBT-ZDUSSCGKSA-N 303.366 -0.224 30 20 DBED C#CCN1CC2(C1)CN(C(=O)C1CCC(C(N)=O)CC1)CCO2 1053322363 YVGWMJADYREWPJ-UHFFFAOYSA-N 319.405 -0.176 30 20 DBED C#CCN1CC2(C1)CN(C(=O)[C@@H]1CCCCC(=O)N1)CCO2 1053422087 WEAAGYIYWMXIDG-ZDUSSCGKSA-N 305.378 -0.408 30 20 DBED C=C(Cl)CN1CC2(C[C@@H](NC(=O)Cn3nccn3)CO2)C1 1053820254 WQTMLLAVSQNAQI-LLVKDONJSA-N 311.773 -0.010 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@](CO)(NC(=O)c2cc[nH]n2)C1 1055787356 GYLSDKJBARCLJM-IINYFYTJSA-N 305.338 -0.347 30 20 DBED C=CCCC(=O)N[C@]1(CO)CCCN(C(=O)[C@@H]2CNC(=O)N2)C1 1055824445 UKQABQYZLXUDFO-XHDPSFHLSA-N 324.381 -0.896 30 20 DBED C[C@H](C#N)C(=O)N[C@]1(CO)CCCN(C(=O)c2cn(C)cn2)C1 1056094927 YWNKURQGTSVFPG-IAQYHMDHSA-N 319.365 -0.337 30 20 DBED C=C[C@](C)(O)CC(=O)NCCN(CCO)C(=O)C(C)(C)F 1056776597 OVXSRDUUIMASBO-AWEZNQCLSA-N 304.362 -0.001 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)[C@@H](OC)C(C)C 1057194540 GKBSTRLRTAHMOQ-AWEZNQCLSA-N 316.398 -0.203 30 20 DBED C=CCn1cccc1C(=O)NCCN(CCO)C(=O)CC(N)=O 1057247969 REJCJDSOPCGEQO-UHFFFAOYSA-N 322.365 -0.900 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)CCc1ncc[nH]1 1057457977 JTSJWJQEISENIF-LLVKDONJSA-N 307.354 -0.561 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)Cn1ccnc1 1057525576 ZKLZFUOIVBFBNX-UHFFFAOYSA-N 306.366 -0.520 30 20 DBED C#CCOCCC(=O)N(CCO)CCNC(=O)c1cccnn1 1057579695 RRTUPAWQHDCJFG-UHFFFAOYSA-N 320.349 -0.933 30 20 DBED C=CCC(C)(C)C(=O)NCCN(CCO)C(=O)Cn1ncnn1 1057673767 PEZOPGUQRJXROM-UHFFFAOYSA-N 324.385 -0.788 30 20 DBED C=C[C@@H](C)[C@@H](C)C(=O)NCCN(CCO)C(=O)Cn1ncnn1 1057675528 XKYJDUYOPHLYBM-VXGBXAGGSA-N 324.385 -0.932 30 20 DBED Cn1c(C(=O)N[C@H]2CCN(c3nccnc3C#N)C2)cnc1O 1058508019 SBAHJDKPIILXSK-VIFPVBQESA-N 313.321 -0.204 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)C[C@@H]1CCCC(=O)N1 1058652860 GUGDXGYJJOHSHS-RYUDHWBXSA-N 324.381 -0.858 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)[C@]1(C)CCC(=O)N1 1058749589 ZEYZKLBDGMPAPO-HNNXBMFYSA-N 311.382 -0.442 30 20 DBED NC(=O)NCCC(=O)N1CC[C@@H](CCNC(=O)C#CC2CC2)C1 1059634447 YXMWJGIEFGJFER-CYBMUJFWSA-N 320.393 -0.187 30 20 DBED N#Cc1nc(=N[C@@H]2CC[C@@H]3CN(C(=O)c4nc[nH]n4)C[C@H]32)cc[nH]1 1060534503 AVBNSXUBLYZWNW-GMTAPVOTSA-N 324.348 -0.149 30 20 DBED Cn1nncc1C(=O)NC[C@H]1CCCN1c1cnc(C#N)cn1 1061353539 KXUDVAVTSQOZKL-LLVKDONJSA-N 312.337 -0.124 30 20 DBED C=CCOCC(=O)N1CCOC[C@@H]1CNC(=O)[C@H](O)C(C)C 1061552783 OZCLGJAEHDQQEE-GXTWGEPZSA-N 314.382 -0.451 30 20 DBED C#CCOCCC(=O)NC[C@H]1COCCN1C(=O)[C@@H](C)C#N 1061582136 ZJQPISGWGLJERW-STQMWFEESA-N 307.350 -0.470 30 20 DBED C#CCOCCC(=O)N1CCOC[C@@H]1CNC(=O)c1cnco1 1061730792 LGVBXPQRABTVHV-LBPRGKRZSA-N 321.333 -0.328 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H]1CCCCN1C(=O)CC(N)=O 1062083102 VAZQCPMORALNSB-VXGBXAGGSA-N 309.366 -0.603 30 20 DBED C=CCCC(=O)NCC1(NC(=O)Cn2c(O)nnc2O)CCC1 1062688041 YGYBAOHITUTEGN-UHFFFAOYSA-N 323.353 -0.189 30 20 DBED C[C@@H]1CN(C(=O)CC(N)=O)CC[C@H]1Nc1ccc(C#N)nn1 1063714120 TWEKQCNMNUEAGG-MWLCHTKSSA-N 302.338 -0.127 30 20 DBED N#Cc1nccnc1NC[C@@H]1CCCN1C(=O)[C@@H]1COC(=O)N1 1064901720 GUXHFLVENNJEDK-ONGXEEELSA-N 316.321 -0.140 30 20 DBED C=CCOCC(=O)N1CCO[C@H](CNC(=O)Cn2cccn2)C1 1064975934 DRGXGBWCZFAZGX-CYBMUJFWSA-N 322.365 -0.571 30 20 DBED C#CCNC(=O)CC(=O)N1CCO[C@H](CNC(=O)C(C)C)C1 1065063972 QHSUONIMZXTIHZ-GFCCVEGCSA-N 309.366 -0.875 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)Cn2nccn2)CCO1 1065194687 FYWFWNFQWWNUMS-ZDUSSCGKSA-N 319.365 -0.719 30 20 DBED C[C@@]1(NC(=O)[C@H]2CNC(=O)N2)CCN(c2ccncc2C#N)C1 1065326287 NIBGAXZQLQJJCR-IAQYHMDHSA-N 314.349 -0.280 30 20 DBED C#CCOCCC(=O)N1CCN([C@H]2CCN(C(C)=O)C2)CC1 1065675298 POHOGXVNIPSJSW-HNNXBMFYSA-N 307.394 -0.209 30 20 DBED C=CCCO[C@@H](C)C(=O)N[C@@H]1CCCN(C(=O)C(N)=O)CC1 1065956874 SQFNPACYNHXHIZ-NWDGAFQWSA-N 311.382 -0.050 30 20 DBED N#Cc1nccnc1N1CCOC[C@@H]1CNC(=O)[C@@H]1CCCO1 1066457221 FCMSVYGKQIKIPM-AAEUAGOBSA-N 317.349 -0.151 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CCCN(C(=O)Cn2ncnn2)CC1 1066478999 OPVSORFARHKWEG-WDEREUQCSA-N 305.342 -0.670 30 20 DBED C#CCNC(=O)CC(=O)N(C)CCCN(C)C(=O)c1cn[nH]c1 1066920019 PAGRMGXEUINOOP-UHFFFAOYSA-N 319.365 -0.530 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)CCCN(C)C(=O)[C@@H]1CCC(=O)N1 1067427037 GTKAGFUWROGPRL-STQMWFEESA-N 323.393 -0.390 30 20 DBED C=C(C)C[C@@H](C)C(=O)NC[C@H]1CCC2(CN(C(=O)C(N)=O)C2)O1 1068609298 VFSMTNSGGNAOLY-VXGBXAGGSA-N 323.393 -0.050 30 20 DBED C#CCCCC(=O)N1CC2(C[C@H](NC(=O)CC(N)=O)CO2)C1 1068778075 AEWOLIPEPUUAMJ-NSHDSACASA-N 307.350 -0.849 30 20 DBED C=C[C@](C)(CC)C(=O)N1CC2(C[C@H](NC(=O)CC(N)=O)CO2)C1 1068785033 XPEZPSVBHGPYJT-XHDPSFHLSA-N 323.393 -0.050 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1COC2(C1)CN(C(=O)COC)C2 1068832671 IANLBTITBAHWNO-SMDDNHRTSA-N 312.366 -0.554 30 20 DBED C=CCCC(=O)N1CC2(C[C@H](NC(=O)c3cnn(C)n3)CO2)C1 1068920623 DJVSQKYWIUPHQV-NSHDSACASA-N 319.365 -0.119 30 20 DBED CCc1nc(C#N)cc(N[C@H]2CCN(C(=O)C(N)=O)[C@@H]2C)n1 1068945766 KOTNJANXHMEKQR-SCZZXKLOSA-N 302.338 -0.203 30 20 DBED CCCN(C)CC(=O)N1CC2(C[C@@H](NC(=O)[C@H](C)C#N)CO2)C1 1069002835 HXIXBTCHMNSKFH-CHWSQXEVSA-N 322.409 -0.026 30 20 DBED C[C@@H]1C[C@@H](N=c2cc[nH]cc2C#N)CN1C(=O)c1nnn(C)n1 1069177892 HJBVMAODTXBPTJ-MWLCHTKSSA-N 312.337 -0.386 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2ccnc(O)c2)C[C@@H]1n1ccnn1 1070174309 IERGGPLSWAOSQO-OLZOCXBDSA-N 312.333 -0.333 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)c2cnnn2C)CCOCC1 1070231071 MIIHHFNHUUFQEK-SNVBAGLBSA-N 320.353 -0.630 30 20 DBED C#CCN1CCOC[C@@H]1c1n[nH]c(CNC(=O)c2cc[nH]n2)n1 1070580733 YRDDIJWJAMIGQJ-LLVKDONJSA-N 315.337 -0.536 30 20 DBED C=CCOCC(=O)N[C@@H]1CCCN(C(=O)CC(=O)NCC)C1 1070640669 SPYASUSCIRGGLN-GFCCVEGCSA-N 311.382 -0.178 30 20 DBED N#CCN1C[C@H]2C[C@H]3CN(C(=O)Cc4cc[nH]n4)C[C@@]3(C1)O2 1070777970 HGXKOXDDCUBNGV-NJZAAPMLSA-N 301.350 -0.223 30 20 DBED Cn1cnc(C(=O)N2C[C@@H]3C[C@@H]4CN(CC#N)C[C@]3(C2)O4)c1 1070786923 QUCKTDGPZQIWHU-YWPYICTPSA-N 301.350 -0.141 30 20 DBED CC#CCN1CC[C@]2(C1)CN(C(=O)Cn1ncnn1)C[C@H](C)O2 1071168809 HWXZNFNHMYKNDC-ZFWWWQNUSA-N 318.381 -0.612 30 20 DBED C=CCOCC(=O)N[C@@H]1CCCN(C(=O)[C@@H](COC)OC)C1 1071279788 BJSOEROYTUWWOC-CHWSQXEVSA-N 314.382 -0.042 30 20 DBED C#CCCN1C[C@H](NC(=O)CN2CCNC(=O)C2)CC[C@@H]1C 1071739357 RKGWWPJWDBJGGQ-UONOGXRCSA-N 306.410 -0.589 30 20 DBED C#CCOCCC(=O)N1C[C@@H](NC(=O)Cn2cncn2)[C@H](C)C1 1072097331 LUEOKBWOCIJUBY-CHWSQXEVSA-N 319.365 -0.719 30 20 DBED C=CCOCC(=O)N1CC[C@H](NC(=O)CNC(C)=O)[C@H](C)C1 1073657237 ZDKPLAHUTQTCRE-YPMHNXCESA-N 311.382 -0.322 30 20 DBED C=CCCC(=O)N[C@@H]1CCN(C(=O)Cn2ncnn2)C[C@@H]1C 1073808771 LDJWDFPGGQOJNS-NWDGAFQWSA-N 306.370 -0.008 30 20 DBED C=CCCN1CCO[C@H]2CCN(C(=O)Cn3ncnn3)C[C@H]21 1074241172 CWTZCPVWFJXYBJ-OLZOCXBDSA-N 306.370 -0.449 30 20 DBED CC#CCN1CCO[C@H]2CCN(C(=O)c3c[nH]c(=O)cn3)C[C@@H]21 1074323914 GZNMORMTPJLFPB-KBPBESRZSA-N 316.361 -0.292 30 20 DBED CC(=O)N(C)CC(=O)NCC[C@H](C)NC(=O)c1cc(C#N)c[nH]1 1075680669 YTKHTCQKBFFRGG-JTQLQIEISA-N 319.365 -0.011 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)c1cccn1C 1076217692 DJECCPGBXHKWLU-LBPRGKRZSA-N 318.377 -0.211 30 20 DBED CC(C)C#CC(=O)NCC[C@H](C)NC(=O)CN1CC(=O)NC1=O 1076412525 KEFIYJCBLPDCRB-NSHDSACASA-N 322.365 -0.791 30 20 DBED C#CCOCCC(=O)NCC[C@H](C)NC(=O)Cn1cncn1 1076505943 GPDZVUDECMQCRU-LBPRGKRZSA-N 307.354 -0.671 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)[C@]2(C)CCNC(=O)C2)C1 1077222455 MCZUNVIGHUSSDG-JTNHKYCSSA-N 315.801 -0.184 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2ccc(C(=O)N(C)C)cc2)C1 1078021896 MGBKLSFTDPFEKX-HUUCEWRRSA-N 315.373 -0.204 30 20 DBED C[C@@H](CCNC(=O)[C@H]1CNC(=O)N1)NC(=O)C#CC(C)(C)C 1078091158 OHLDZVBEOOFRCG-WDEREUQCSA-N 308.382 -0.272 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)CC(N)=O)C1 1079538844 OZTLOJCBWNHBRL-ZDUSSCGKSA-N 320.393 -0.981 30 20 DBED C[C@@H]1CN([C@@H]2CCNC2=O)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 1079543897 YLMKBYGMCFCBJX-OASPWFOLSA-N 301.350 -0.175 30 20 DBED C#CCCCC(=O)N(CC)C1CN(C(=O)[C@H]2COC(=O)N2)C1 1079680806 JCTZNOYSKBLNCH-GFCCVEGCSA-N 307.350 -0.042 30 20 DBED C#CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)c2cnnn2C)C1 1079774537 FSMBITKYXSWTRQ-LLVKDONJSA-N 319.365 -0.474 30 20 DBED C=CCCC(=O)NC1(CO)CCN(C(=O)CC(=O)NC)CC1 1080767301 YDBPIXHEMNGIDQ-UHFFFAOYSA-N 311.382 -0.442 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@H](CNC(=O)COCC)C1 1081221224 QWNOLTIVGWLYSQ-VXGBXAGGSA-N 300.355 -0.839 30 20 DBED N#CCSCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2ccc[nH]2)C1 1081249361 XSUJNKCUQGKKSS-ZYHUDNBSSA-N 322.390 -0.179 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)Cc2cnn(C)c2)C[C@H]1O 1081332069 ANLBHLPMYSOIJU-UONOGXRCSA-N 320.393 -0.136 30 20 DBED C=CCCN1C[C@@H](NC(=O)c2cn(C)c(=O)cn2)[C@H](OC)C1 1081960728 OPADPDTZXDMFTE-DGCLKSJQSA-N 306.366 -0.215 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@@H]2CCCS(=O)(=O)C2)[C@H](OC)C1 1082195686 SCYCQVAWYKHQAZ-JHJVBQTASA-N 314.407 -0.740 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@@H](C)N1CCCCC1=O 1082383448 XWRSBMJRSPDXOA-JHJVBQTASA-N 308.382 -0.274 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cnc(O)n1C 1083163478 HJGAXHVDVVGBNO-QWHCGFSZSA-N 304.350 -0.326 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)C1 1083504986 WWEAWCIOTDGZBR-MCIONIFRSA-N 321.421 -0.182 30 20 DBED CN1CCc2cc(C(=O)N[C@@H]3CN(CC#N)C[C@@H]3O)ccc21 1083923810 VLWFWYVLKZQLPZ-HIFRSBDPSA-N 300.362 -0.023 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2ccnc(-n3ccnc3)c2)C1 1084069821 VFZFGIOUHFASQV-OLZOCXBDSA-N 312.333 -0.434 30 20 DBED CC#CCN1CC[C@@H]2CN(C(=O)[C@@H]3CN(C(C)=O)CCO3)[C@@H]2C1 1084805298 IJRYZKYZIQYEAB-OAGGEKHMSA-N 319.405 -0.210 30 20 DBED C=CCCN1CC[C@H](NC(=O)CN2CCN(C)C(=O)C2)[C@H]1C 1088675592 ZXYUUINWIUHAQH-KGLIPLIRSA-N 308.426 -0.085 30 20 DBED C=CCCN1CC[C@H](NC(=O)c2cn(CCOC)nn2)[C@@H](O)C1 1090259438 UMMQOYFWUKQKFI-JSGCOSHPSA-N 323.397 -0.334 30 20 DBED COCC[C@@H](C)C(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1O 1090428420 MIDFIMQQYMMVKE-RAIGVLPGSA-N 319.365 -0.313 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2ccoc2CC(N)=O)[C@@H](O)C1 1090514505 KASGSJSOWGRDDG-OLZOCXBDSA-N 319.361 -0.504 30 20 DBED COCC(=O)N[C@H]1CCN(c2nc(C)cc(C#N)n2)C[C@@H]1O 1092126075 IRXAXKBRSGMUIU-RYUDHWBXSA-N 305.338 -0.641 30 20 DBED C[C@H](CC(=O)N1CCN(c2ccc(C#N)nn2)CC1)NC(N)=O 1093178090 QMXDFIWUECUBJO-SNVBAGLBSA-N 317.353 -0.556 30 20 DBED N#Cc1cnc(NCCNC(=O)CCn2cnccc2=O)cn1 1093837522 TWECRAYSTPPRNV-UHFFFAOYSA-N 313.321 -0.477 30 20 DBED COCC(=O)N[C@@H](C)C(=O)NCCN=c1cc[nH]cc1C#N 1094184908 APHYHQKMCPILCN-JTQLQIEISA-N 305.338 -0.946 30 20 DBED C#CCN1CC(n2cc(CNC(=O)[C@@H]3C[C@@H]3OCC)nn2)C1 1094276367 NCMOMWXWKNDBDJ-KGLIPLIRSA-N 303.366 -0.191 30 20 DBED N#CCN1CC(n2cc(CNC(=O)c3c[nH]c(C#N)c3)nn2)C1 1094285550 NYQLXEOXPMDAFH-UHFFFAOYSA-N 310.321 -0.212 30 20 DBED COC[C@]1(C(=O)NCCCN=c2cc[nH]c(C#N)n2)CCOC1 1094689698 OWFSGIUPBOYYDL-OAHLLOKOSA-N 319.365 -0.259 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)c3coc(C)n3)CC2=O)C1 1094732164 YVKWXMVEILMCAH-NSHDSACASA-N 302.334 -0.369 30 20 DBED C#CCCN1CC(N2C[C@@H](NC(=O)c3[nH]nnc3C)CC2=O)C1 1094771639 LSUCZIIVWKTGKP-NSHDSACASA-N 316.365 -0.849 30 20 DBED C#CCN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN1C(=O)CNC1=O)C2 1095052739 YXRKHXUNOPJXOG-SRVKXCTJSA-N 304.350 -0.860 30 20 DBED C[C@H](CC(=O)N[C@@H]1CCN(c2cncc(C#N)n2)C1)NC(N)=O 1096432602 ZEBOWRAEUVODJH-NXEZZACHSA-N 317.353 -0.510 30 20 DBED COC[C@@H](OC)C(=O)N[C@H]1CCN(c2ccc(C#N)nn2)C1 1096482059 HHGYUMWVLJFBHR-NWDGAFQWSA-N 305.338 -0.295 30 20 DBED COc1ncc(C(=O)NC[C@@H](C)N=c2cc[nH]c(C#N)n2)cn1 1098039606 PCJHNLRDOFUAMK-SECBINFHSA-N 313.321 -0.201 30 20 DBED Cc1nc(O)[nH]c1C(=O)NC[C@H](C)N=c1cc[nH]c(C#N)n1 1098107842 RXYSUFJCSQSXLN-ZETCQYMHSA-N 301.310 -0.262 30 20 DBED C#CCCN(CCO)C1CCN(C(=O)[C@H]2CC[C@@H]2C(N)=O)CC1 1098447385 JNOSCBHXUVZRFK-GJZGRUSLSA-N 321.421 -0.194 30 20 DBED C[C@@H](CCNC(=O)[C@H](C)CC(N)=O)N=c1cc[nH]c(C#N)n1 1099617264 SNSHKFQQGBANCA-ZJUUUORDSA-N 304.354 -0.412 30 20 DBED CC1(C)CC(C(=O)N[C@@H]2CCN(CC(=O)NCC#N)C[C@H]2O)C1 1099802568 XSYUUKNLYFZADR-CHWSQXEVSA-N 322.409 -0.386 30 20 DBED Cn1nnnc1CN1CC[C@H](NC(=O)C#CC(C)(C)C)[C@H](O)C1 1099827421 XDKORIHOABHTPX-NWDGAFQWSA-N 320.397 -0.689 30 20 DBED C#CCCN1CC[C@H](NC(=O)CCCNC(=O)C2CC2)[C@@H](O)C1 1099863289 LHSGAJJACROPLE-GJZGRUSLSA-N 321.421 -0.133 30 20 DBED C#CCCN1CC[C@H](NC(=O)CCc2nccn2C)[C@@H](O)C1 1099928096 IHXHAILTFZFCJX-KBPBESRZSA-N 304.394 -0.073 30 20 DBED CC1(C(=O)N[C@@H]2CCN(CC(=O)NCC#N)C[C@@H]2O)CCC1 1099944830 RLIFHCBFAGLCTF-NEPJUHHUSA-N 308.382 -0.632 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2[nH]c(C)nc2C)[C@H](O)C1 1100006994 VZSRJGAUQDTUEK-ZIAGYGMSSA-N 320.393 -0.159 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)Cc2ncc[nH]2)[C@@H](O)C1 1100047911 CFBQGAFTMFVTMZ-STQMWFEESA-N 308.382 -0.294 30 20 DBED C#CCN1CC[C@@H](NC(=O)CNC(=O)C2CCCCC2)[C@@H](O)C1 1100096183 AXKZRTNRUSNDQY-CABCVRRESA-N 321.421 -0.133 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)c2nonc2C)[C@H](O)C1 1100136654 QDPRXDHBMWXMQW-VXGBXAGGSA-N 310.354 -0.254 30 20 DBED COCC#CCN1CC[C@H](NC(=O)Cn2ccnc2)[C@H](O)C1 1100137077 VVXZQHDNACDNJN-UONOGXRCSA-N 306.366 -0.916 30 20 DBED CN(CCNC(=O)CC1CS(=O)(=O)C1)c1ccnc(C#N)n1 1100219697 KGQJXOQWWWAHLG-UHFFFAOYSA-N 323.378 -0.665 30 20 DBED CN(CCNC(=O)[C@@]1(C)CCNC1=O)c1ccc(C#N)nn1 1100325429 HNXKROXDAVALRS-AWEZNQCLSA-N 302.338 -0.573 30 20 DBED CNC(=O)NCC(=O)NCCN(C)c1nc(C)ccc1C#N 1100376235 YJYLRLRQNJKGLO-UHFFFAOYSA-N 304.354 -0.257 30 20 DBED CNC(=O)CC(=O)NC[C@H]1CCCN1c1ccc(C#N)nn1 1100815734 HGEDHPCSYVWIBP-LLVKDONJSA-N 302.338 -0.431 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H]1CN(CCOCCO)C[C@H]1C 1101964773 YAAHKFAXXCECOH-QLFBSQMISA-N 312.410 -0.282 30 20 DBED CC[C@H](CNC(=O)c1cnnn1C)N=c1cc[nH]c(C#N)n1 1103053200 OZOZQMJUEHVQBS-SECBINFHSA-N 300.326 -0.481 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1CCNC(=O)CCn1ncn(C)c1=O 1103267929 KYKIJSSXQFAIPL-CHWSQXEVSA-N 320.397 -0.430 30 20 DBED CNC(=O)CC(=O)NC[C@@H]1CN(c2ccc(C#N)cn2)CCO1 1104308812 VNDCQGFGDPYEHY-GFCCVEGCSA-N 317.349 -0.589 30 20 DBED Cc1cc(CC(=O)N2CC(n3cc(CNCC#N)nn3)C2)n[nH]1 1105207186 IMANOBRTJSUIMP-UHFFFAOYSA-N 314.353 -0.451 30 20 DBED CC#CCNC1CCC2(CC1)CN(C(=O)CNC(N)=O)CCO2 1105455710 ZBWOJSRUIOYHNG-UHFFFAOYSA-N 322.409 -0.192 30 20 DBED CN(CCN(C)c1nccnc1C#N)C(=O)[C@]1(C)CNC(=O)C1 1105510998 YIVPDMVPTRZCKQ-HNNXBMFYSA-N 316.365 -0.231 30 20 DBED Cc1cc(C(=O)NC[C@H](O)CNc2ccc(C#N)nn2)nn1C 1105733083 HJQTZQXAZRYIRQ-LLVKDONJSA-N 315.337 -0.407 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CN=c1ccc2ncc[nH]c-2n1 1105773500 IOIAMMCJEIEBHM-UWVGGRQHSA-N 300.322 -0.553 30 20 DBED Cc1nc(C(=O)NC[C@@H](O)CNc2nccnc2C#N)co1 1105799078 TXMYKPIICHZHLH-VIFPVBQESA-N 302.294 -0.153 30 20 DBED C[C@@H](C(=O)NC[C@@H](O)CNc1cnc(C#N)cn1)n1cncn1 1105828210 ARLGSCODMAQELK-ONGXEEELSA-N 316.325 -0.910 30 20 DBED C[C@@H](C(=O)NC[C@H](O)CNc1ccc(C#N)nn1)n1cncn1 1105829315 QGBVSZHZJIOERZ-GXSJLCMTSA-N 316.325 -0.910 30 20 DBED C#Cc1ccc(C(=O)NC[C@H](O)CNc2cncc(C#N)n2)cn1 1105910222 SIOMGKINOLAMFT-CQSZACIVSA-N 322.328 -0.073 30 20 DBED COCCCOCC(=O)NC[C@@H](O)CNc1ccc(C#N)cn1 1105959704 QCVHUTRFSMGTKU-ZDUSSCGKSA-N 322.365 -0.105 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)[C@@]2(F)CCOC2)cn1 1106073675 XHGWRKUPFHLKGY-GXTWGEPZSA-N 308.313 -0.029 30 20 DBED C[C@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)[C@@H]1COCCN1C 1106277431 GGDRKCWHORNQCD-NEPJUHHUSA-N 318.381 -0.593 30 20 DBED C[C@@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)CCn1cnnn1 1106419026 WZTGFRFEISVLPG-JTQLQIEISA-N 315.341 -0.846 30 20 DBED C[C@H](CCN=c1cc[nH]cc1C#N)NC(=O)[C@@H]1CCNC1=O 1106516493 UYWGBANYYFLAOR-ZYHUDNBSSA-N 301.350 -0.182 30 20 DBED CCN(CCNc1cnc(C#N)cn1)C(=O)C1(C(N)=O)CC1 1106942971 JJTQTWNAWOMHML-UHFFFAOYSA-N 302.338 -0.126 30 20 DBED CCN1CCO[C@H](C(=O)N[C@H](C)CN=c2cc[nH]c(C#N)n2)C1 1107776149 SGABDEDLPDTQCQ-NEPJUHHUSA-N 318.381 -0.593 30 20 DBED CCN1C[C@H](C(=O)NC[C@]2(C)CN(CC#N)CCO2)CC1=O 1107982968 FDTDCTIJVUITBD-IUODEOHRSA-N 308.382 -0.415 30 20 DBED CC#CCN1CCO[C@@](C)(CNC(=O)C2(C(=O)NC)CC2)C1 1108276855 VWWBZCPAAAXWOB-HNNXBMFYSA-N 307.394 -0.257 30 20 DBED C[C@@H](CN(C)c1ccnc(C#N)n1)NC(=O)[C@@H]1CN(C)C(=O)N1 1109194746 VIFQBYUWIZBCLG-UWVGGRQHSA-N 317.353 -0.687 30 20 DBED CN(CCCNc1cnc(C#N)cn1)C(=O)CN1CCOCC1 1109409193 PZEPVNLRTNCNRT-UHFFFAOYSA-N 318.381 -0.059 30 20 DBED CCCN(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1110016393 MEIQVEINPUVMPB-RDBSUJKOSA-N 321.425 -0.311 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@]1(O)CCN(c2ncnc3[nH]cnc23)C1 1111042243 RFEBXHNDNQCAOL-XPTSAGLGSA-N 315.337 -0.430 30 20 DBED C[C@@H](Nc1ccc(C#N)nn1)[C@H]1CCN(C(=O)CNC(N)=O)C1 1111205966 RTGIPBNPPASIQN-ZJUUUORDSA-N 317.353 -0.335 30 20 DBED N#Cc1cccnc1NCCN(CCO)C(=O)Cn1nccn1 1111516661 JMTMLHNXWIRNOE-UHFFFAOYSA-N 315.337 -0.522 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)COC)C[C@H]1C(F)(F)F 1112027321 FJAMPJGDXRBHPJ-NXEZZACHSA-N 323.315 -0.086 30 20 DBED CC(=O)NCC(=O)N1C[C@@H](C)[C@@H](Nc2cnc(C#N)cn2)C1 1112295232 HKTQPASPGXFALI-SKDRFNHKSA-N 302.338 -0.257 30 20 DBED CC(=O)NCC(=O)N1C[C@H](C)[C@@H](N=c2cc[nH]cc2C#N)C1 1112295545 MNXHDQWYNMALOY-HZMBPMFUSA-N 301.350 -0.230 30 20 DBED CN(C)CCC(=O)NC[C@H]1CN(c2ccnc(C#N)n2)C[C@H]1O 1112755066 LIDIHOTXWJUEFQ-NWDGAFQWSA-N 318.381 -0.787 30 20 DBED COCC#CCN1CCN(C(=O)CNC(=O)N2CCCC2)CC1 1112841530 BIKRGNQXZIKOLA-UHFFFAOYSA-N 322.409 -0.414 30 20 DBED COCC#CCN1CCN(C(=O)C[C@@H]2CCCC(=O)N2)CC1 1113083807 SJAACXRSKUMMNS-AWEZNQCLSA-N 307.394 -0.161 30 20 DBED C[C@H](N=c1cc[nH]c(C#N)n1)[C@H](C)NC(=O)c1cnc(O)n1C 1113255626 KIVVMASFIAZBRI-IUCAKERBSA-N 315.337 -0.172 30 20 DBED C[C@H](N=c1cc[nH]c(C#N)n1)[C@@H](C)NC(=O)[C@@H]1[C@H]2COC[C@H]21 1113261148 ACXMZEPLVRKILD-ZRDGONRFSA-N 301.350 -0.032 30 20 DBED C[C@@H](CNC(=O)[C@@H]1COC(=O)N1)N(C)c1ccnc(C#N)n1 1113591484 XWVWTHVVOXWRJO-IUCAKERBSA-N 304.310 -0.602 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)c3ccnn3C)[C@H]2C1 1113990117 JLMDBVNGNFNBKU-CIQGVGRVSA-N 317.393 -0.229 30 20 DBED C[C@@H]1CCN(c2ccnc(C#N)n2)C[C@@H]1NC(=O)CNC(N)=O 1113996946 CMGLENGPXQCDTF-ZJUUUORDSA-N 317.353 -0.652 30 20 DBED C=C(Cl)CN1C[C@H]2[C@H](NC(=O)CCS(=O)(=O)NC)[C@H]2C1 1114270611 IOZGQLIVMZYKGQ-IAZYJMLFSA-N 321.830 -0.275 30 20 DBED C#CCN1C[C@H]2[C@H](NC(=O)CNC(=O)c3ccoc3C)[C@H]2C1 1114316810 MGEYEHAQQFTCJC-NHAGDIPZSA-N 301.346 -0.003 30 20 DBED C=C(C)CN1C[C@@H]2C(NC(=O)C(C)(C)NS(C)(=O)=O)[C@H]2C1 1114942302 KDFPWWPYDZHIHQ-QWRGUYRKSA-N 315.439 -0.063 30 20 DBED CCCNC(=O)CCC(=O)NC1[C@@H]2CN(CC#CCOC)C[C@@H]12 1115139359 BKKZDVBCDXANTQ-ZIAGYGMSSA-N 321.421 -0.011 30 20 DBED C=CCCCN1C[C@H]2[C@H](NC(=O)CS(=O)(=O)N(C)C)[C@H]2C1 1115189235 ZYGBQKLHWFPPLE-IMRBUKKESA-N 315.439 -0.110 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)CN(C)C(C)C)[C@H]2C1 1115301872 JETLYVCKNWMXQR-VIKVFOODSA-N 308.426 -0.325 30 20 DBED Cc1cc(=N[C@H](C)CN(C)C(=O)Cn2cnnn2)c(C#N)c[nH]1 1115605449 DEIYRUBIIZLSMI-LLVKDONJSA-N 314.353 -0.371 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CC[C@H](CC)C1 1117586236 DGSQAHSPRCTAFY-NSHDSACASA-N 302.396 -0.038 30 20 DBED C=C[C@@H]1CCCCN1C(=O)C(=O)N1CCO[C@@H](CNC(C)=O)C1 1117911724 FSASTXMYRPBMLE-KGLIPLIRSA-N 323.393 -0.083 30 20 DBED CN1CCC(C#N)(NC(=O)CCN2C(=O)CCNC2=S)CC1 1118374902 YVFIFLJLIFOPJT-UHFFFAOYSA-N 323.422 -0.413 30 20 DBED C[C@H](CC#N)N(C)C(=O)C(=O)c1cc(S(N)(=O)=O)cn1C 1118563284 PWSHQSTVDBUYCK-MRVPVSSYSA-N 312.351 -0.384 30 20 DBED C[C@@]1(O)CCCN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1 1118949292 YFOXALYIYIWZBA-CZUORRHYSA-N 320.393 -0.441 30 20 DBED C#CCn1cc(CNC(=O)N(C)[C@H]2CCS(=O)(=O)C2)cn1 1119285760 DCLAIRPPWNRYKW-LBPRGKRZSA-N 310.379 -0.155 30 20 DBED C[C@H](CN(C)C(=O)[C@@H]1CCNC1=O)Nc1cncc(C#N)n1 1120408164 LLKSSDGHENAVMF-MWLCHTKSSA-N 302.338 -0.257 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@@H](CO)Nc2cncc(C#N)n2)c1 1121266588 WKRUHEOGAQZNJT-NSHDSACASA-N 311.305 -0.249 30 20 DBED CCc1nc[nH]c1C(=O)NC[C@@H](CO)Nc1ccc(C#N)nn1 1121874532 HPBUPZAMICYRQW-JTQLQIEISA-N 315.337 -0.163 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H](CO)Nc1cc(C)nc(OC)n1 1122035207 FZWCGEXHAOBBHG-NWDGAFQWSA-N 322.365 -0.279 30 20 DBED CC(=O)NCC(=O)N1CC[C@@H](Nc2ccc(C#N)nn2)[C@H]1C 1122904310 RPBRKOZADHOGIJ-BXKDBHETSA-N 302.338 -0.114 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)c2cnn(C)c2C)C1=O 1123603101 MJZXNALBLVITRY-ZDUSSCGKSA-N 305.382 -0.165 30 20 DBED CCO[C@H](C)C(=O)N(C)C[C@@H](O)CN=c1cc[nH]c(C#N)n1 1124103849 HBFQWWJBEWSNGA-MNOVXSKESA-N 307.354 -0.574 30 20 DBED CCNC(=O)CC(=O)N(C)C[C@H](O)CNc1ccc(C#N)cn1 1124315593 YDDUIRJKJMZUEN-GFCCVEGCSA-N 319.365 -0.289 30 20 DBED CN(C[C@@H](O)CNc1cnc(C#N)cn1)C(=O)c1cnco1 1124621541 IDFVAYGBWXEYQC-JTQLQIEISA-N 302.294 -0.119 30 20 DBED CN(C[C@H](O)CN(C)c1ccnc(C#N)n1)C(=O)c1cc[nH]n1 1125017892 JUHATCSHFDDFNH-SNVBAGLBSA-N 315.337 -0.359 30 20 DBED C#CCO[C@H](C)C(=O)NCCNC[C@@H]1CCCS(=O)(=O)C1 1127046834 UVQHGYYESWXPIL-OLZOCXBDSA-N 316.423 -0.445 30 20 DBED C#CCNCc1nnc2n1CC[C@H](NC(=O)c1cn[nH]c1)CC2 1127938397 IXNLCFDBAGYLMI-GFCCVEGCSA-N 313.365 -0.141 30 20 DBED CCC(=O)N1CCC[C@@H](C(=O)NCCNCC#CCOC)C1 1128010306 YNHGIJNOSNDXPS-CQSZACIVSA-N 309.410 -0.009 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H](C)NC(=O)CC)C1 1129009474 BOZYPYKRMYPNBX-UPJWGTAASA-N 320.397 -0.280 30 20 DBED C#CCC1(C(=O)NCCNC[C@H](O)CN2CCCC2=O)CCC1 1129125111 MCSDUJCBOOZLCM-AWEZNQCLSA-N 321.421 -0.131 30 20 DBED C#CCNC(=O)CNCCNC(=O)CCn1c(C)csc1=O 1129479067 JIPQMMHGZMVLCM-UHFFFAOYSA-N 324.406 -0.936 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCNCC(=O)NCC(C)C 1129771440 XPLLTKLIJCDKCV-AWEZNQCLSA-N 308.426 -0.438 30 20 DBED C=CCCCN[C@@H]1CN(C(=O)CC(=O)NC)C[C@@H]1n1ccnn1 1129774233 HEFHNSLMZHLXOV-OLZOCXBDSA-N 320.397 -0.278 30 20 DBED C#CCCCCC(=O)N1C[C@H](n2ccnn2)[C@H](NCCO)C1 1129778668 ZNYNRZUCHOXDRC-KGLIPLIRSA-N 305.382 -0.195 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CCN(CCO)CC1 1130281313 HPJKJFIUTTXTPD-LNSITVRQSA-N 322.409 -0.386 30 20 DBED CCc1nnc(C)cc1C(=O)NCCNCC(=O)NCC#N 1130451789 CJXMSYBUDOUFNV-UHFFFAOYSA-N 304.354 -0.693 30 20 DBED COCC#CCN1CCOC[C@H]1c1n[nH]c(CNC(C)=O)n1 1130820600 ZQNKCBVNBCNANY-LBPRGKRZSA-N 307.354 -0.536 30 20 DBED C#CCN1CCOC[C@H]1c1n[nH]c(CNC(=O)[C@@H](C)OC)n1 1130835429 MOYSIHOQMKOQPK-MNOVXSKESA-N 307.354 -0.538 30 20 DBED CCNC(=O)CC(=O)N1C[C@H]2C[C@@H]3CN(CC#N)C[C@]2(C1)O3 1131221038 WPBVUXAMAYFJFA-LALPHHSUSA-N 306.366 -0.662 30 20 DBED CCNC(=O)CC(=O)N[C@@H]1CC[C@@H](C)N(CC(=O)NCC#N)C1 1131980577 PDJOEMCYLVJEKC-VXGBXAGGSA-N 323.397 -0.879 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)c1cnn(CC)n1 1134266011 RXEQPTGRAAGGTJ-RYUDHWBXSA-N 320.397 -0.466 30 20 DBED C=CCOCCNCCNC(=O)CS(=O)(=O)NC(C)(C)C 1151386358 VMHXOVYAACJGPQ-UHFFFAOYSA-N 321.443 -0.387 30 20 DBED C#CCN1CCC(C(=O)NCCN[C@@H](C)C(=O)NC2CC2)CC1 1152330342 MIHDRQWRMQEURB-ZDUSSCGKSA-N 320.437 -0.296 30 20 DBED CN(CC(=O)NCCNCC(=O)NCC#N)Cc1ccccc1 1153314906 RWMADEJHUXYAAR-UHFFFAOYSA-N 317.393 -0.536 30 20 DBED C#CCO[C@H](C)C(=O)NCCCN[C@@H]1CCN(CC=C)C1=O 1157874559 SSNXWNFTXLTPMB-ZIAGYGMSSA-N 307.394 -0.093 30 20 DBED C#CCO[C@@H](C)C(=O)NCCCNC[C@H](O)Cn1cccn1 1157881184 XRPFRVOSZZWDRE-KBPBESRZSA-N 308.382 -0.622 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)CN1CCCCC1=O 1161730196 QFIDNWMOSRXPBT-CYBMUJFWSA-N 324.425 -0.215 30 20 DBED C#Cc1cccc(NC(=O)CNCCCNC(=O)C(N)=O)c1 1165619002 KCZHIICJJHCOQV-UHFFFAOYSA-N 302.334 -0.812 30 20 DBED C=CCNCCCC[C@@H](C)NC(=O)Cn1cnc(C(N)=O)n1 1170879624 YRLUOVJPKOPZEE-LLVKDONJSA-N 308.386 -0.172 30 20 DBED C=CCCCN1CCO[C@H]2CCN(C(=O)Cn3cnnn3)C[C@@H]21 1176901122 WCXWKVGNPJFXMH-KBPBESRZSA-N 320.397 -0.059 30 20 DBED N#CCSCC(=O)N1CC[C@@H]2OCCN(CCCO)[C@@H]2C1 1176929323 GHHOOUQBRCSUHC-OLZOCXBDSA-N 313.423 -0.073 30 20 DBED C#CCCN1CCO[C@H]2CCN(C(=O)CCNC(=O)NC)C[C@@H]21 1176998422 AKINHRKKDIUYES-KBPBESRZSA-N 322.409 -0.370 30 20 DBED C#CCNC(=O)CN1CCO[C@@H]2CCN(C(=O)C3(C)CC3)C[C@@H]21 1177011978 HTTGHVRMYMZWRO-UONOGXRCSA-N 319.405 -0.162 30 20 DBED C[C@@H](C#N)C(=O)NCCCCCCN[C@@H](C)C(=O)NC(N)=O 1178058481 FWLGKDNWWVERAV-QWRGUYRKSA-N 311.386 -0.004 30 20 DBED CC(=O)NCCOCCN[C@H]1CCN(C(=O)[C@H](C)C#N)[C@H]1C 1178351276 KKCMGFJFMPSYFQ-DYEKYZERSA-N 310.398 -0.122 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)c2ncc[nH]2)[C@H]1C 1178645288 JAFWVEWXOBQKPY-SRVKXCTJSA-N 303.366 -0.260 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)c2[nH]nnc2C)[C@H]1C 1179285149 LHYJEZAJQZUKNA-WOPDTQHZSA-N 320.397 -0.004 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)CCC(=O)NCC)C1 1181510720 BAUAEQHNMANWEP-QWHCGFSZSA-N 324.425 -0.216 30 20 DBED C=CCOCCN[C@@H]1CCN(C(=O)CN(C)S(C)(=O)=O)C1 1182999895 VRVBWAXGYJUTBE-GFCCVEGCSA-N 319.427 -0.729 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 1183240490 HXJOOOUXKVBQPQ-UONOGXRCSA-N 320.437 -0.201 30 20 DBED CC#CCNC[C@H]1CN(C(=O)CNC(C)=O)CC12CCOCC2 1186236534 MYKOTZIFTMHAKL-HNNXBMFYSA-N 321.421 -0.009 30 20 DBED C#CCNC[C@H]1CN(C(=O)Cn2cnnn2)CC12CCOCC2 1186245007 DRUKFVOYNPBSTB-ZDUSSCGKSA-N 318.381 -0.849 30 20 DBED C#CCNC[C@@H]1CN(C(=O)CCNC(N)=O)CC12CCOCC2 1186551939 AOPPCYHGJGPHDQ-CYBMUJFWSA-N 322.409 -0.477 30 20 DBED C=CCCCN(C)[C@@H]1CCN(C(=O)CNC(=O)CNC(C)=O)C1 1190988831 JMANTQCQIKNIQG-CQSZACIVSA-N 324.425 -0.262 30 20 DBED Cc1cnc(CN2C[C@@H](O)[C@H](NC(=O)C#CC3CC3)C2)nc1 1192821263 JZDUNLONURJXSK-ZIAGYGMSSA-N 300.362 -0.140 30 20 DBED C=CCNC(=O)[C@H](C)N1CCCN(C(=O)[C@H]2CCC(=O)N2)CC1 1195246348 VKTHLMYHDYRAFB-QWHCGFSZSA-N 322.409 -0.510 30 20 DBED C=CCC[C@H](C)N1C[C@@H](O)[C@H](NC(=O)CN2C(=O)CCC2=O)C1 1198466940 ZXEMOHQHRQHSKA-YNEHKIRRSA-N 323.393 -0.349 30 20 DBED N#CCNC(=O)CNC1CCN(C(=O)c2cnccn2)CC1 1199146010 VXEATRTYBATQKY-UHFFFAOYSA-N 302.338 -0.689 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)CS(C)(=O)=O)C1 1199146062 OSNQZHNSXASVEL-YNEHKIRRSA-N 318.439 -0.205 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CCN(C(=O)c2cn[nH]c2)CC1 1199471399 VMXMHWJCDGJVIG-LLVKDONJSA-N 303.366 -0.258 30 20 DBED C=CCOCC(=O)N1CCCO[C@H](CN[C@@H](C)C(=O)NC)C1 1200109607 YCNFZIAGWDYXSI-QWHCGFSZSA-N 313.398 -0.469 30 20 DBED C=CCNC(=O)[C@H](C)NC1CCN(C(=O)c2[nH]nnc2C)CC1 1201930392 BPRJNYVDKKDSPJ-NSHDSACASA-N 320.397 -0.002 30 20 DBED CN1C[C@@H](C(=O)N2CCCO[C@@H](CNCC#N)C2)CCC1=O 1202154294 MMYLBNVTAOJHMX-STQMWFEESA-N 308.382 -0.415 30 20 DBED C=CCCOCC(=O)N1CCC(NCc2nnn(C)n2)CC1 1204016416 QTQRXVDZSYPXKJ-UHFFFAOYSA-N 308.386 -0.117 30 20 DBED CC(=O)NCCOCCN[C@@H]1CCCN(C(=O)[C@@H](C)C#N)C1 1207694756 XHZSIJRRLRVMPG-GXTWGEPZSA-N 310.398 -0.121 30 20 DBED C#CCOCCC(=O)N1CCC[C@H](N[C@H]2CCN(C)C2=O)C1 1208029487 XKPJYXWSVZTVPG-KBPBESRZSA-N 307.394 -0.162 30 20 DBED Cc1nccn1CC(=O)N1CCC[C@H](NCC(=O)NCC#N)C1 1211092305 QRIQRZXFGRQQJM-ZDUSSCGKSA-N 318.381 -0.588 30 20 DBED C=CCN1C[C@@H](NC(=O)COCc2nccn2C)[C@H](OC)C1 1212442394 LAUNPIHPYPYXAH-CHWSQXEVSA-N 308.382 -0.062 30 20 DBED Cc1nc(C)c(C(=O)N2C[C@@H](NCC(=O)NCC#N)[C@H](C)C2)[nH]1 1215575825 ZTNBDLUMKZFXMP-BXKDBHETSA-N 318.381 -0.284 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)C1CCCC1 1217172864 UJFXPQRMHKFMJX-LSDHHAIUSA-N 319.405 -0.162 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CCCCc1cnn[nH]1 1218377058 MIFFIVZALAWCFH-UONOGXRCSA-N 318.381 -0.047 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2cscn2)C1 1219349302 VOISWRSRKUBMIQ-KOLCDFICSA-N 310.379 -0.780 30 20 DBED C#CCCCCC(=O)N[C@@H]1CN(CC(=O)NCC2CC2)C[C@@H]1O 1219482264 SVCDLYLLEYIOAZ-CABCVRRESA-N 321.421 -0.133 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C(C)(C)C2CCC2)C1 1220079932 GRVLVXDEHIGZSM-KGLIPLIRSA-N 321.421 -0.277 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)C(C)(C)C2CC2)C1 1220196156 FMORDEWDDLHGCC-YUTCNCBUSA-N 321.421 -0.278 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)C2(NC(N)=O)CCCCC2)C1 1220484279 XKKNKZJDFQNTNN-NEPJUHHUSA-N 310.398 -0.295 30 20 DBED N#CCNC(=O)CN1CCC(CNC(=O)Cc2ncc[nH]2)CC1 1224958557 XPLJZUQIXSZBBM-UHFFFAOYSA-N 318.381 -0.580 30 20 DBED C#CCOCCC(=O)NC1CCN(Cc2nc(O)n[nH]2)CC1 1227323898 ZKXCABZLQXMXFN-UHFFFAOYSA-N 307.354 -0.369 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)[C@H](C)n1cncn1 1233750849 IYALTUCOXCBCKX-STQMWFEESA-N 318.381 -0.879 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)CN(C)C1CCC1 1235393293 OMMHGCAPPIARPN-OAHLLOKOSA-N 320.437 -0.247 30 20 DBED C[C@H](O)C[C@H]1COCCN1C(=O)C(=O)N[C@@H]1CC[C@H](C#N)C1 1261449627 HEKWEODNCGEGHB-RVMXOQNASA-N 309.366 -0.207 30 20 DBED Cc1ccc(CNC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)cn1 1261464155 KZMRPFFQGIOOHT-HNNXBMFYSA-N 302.334 -0.117 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CCN(C[C@@H](O)COC)C2)nc1 1318365831 MLPZWNZEAUNBNW-ZIAGYGMSSA-N 303.362 -0.126 30 20 DBED N#CCSCC(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 1318681760 KKZSPOPEZWBIJS-UHFFFAOYSA-N 323.378 -0.063 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)Nc2cnn(CC(F)F)c2)CCO1 1319349116 URTNPEYHWMANGS-SECBINFHSA-N 313.264 -0.162 30 20 DBED C[C@@H](C#N)CNC(=O)C(=O)Nc1ccc(OCC(N)=O)cc1 1320598415 RHCQHGCCDQIIOA-VIFPVBQESA-N 304.306 -0.235 30 20 DBED COC(=O)Cn1ncc(NC(=O)C(=O)NCC(C)(C)C#N)c1C 1321251330 PTBRLGSPNSSITG-UHFFFAOYSA-N 321.337 -0.031 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N1CCC(N2CCNC2=O)CC1 1323588077 QPMBVYGZVHOLSM-NSHDSACASA-N 324.381 -0.680 30 20 DBED C[C@]1(C#N)CCCN(C(=O)C(=O)Nc2cnn(CC(N)=O)c2)C1 1323741233 CXZZWVKKZABHTB-CQSZACIVSA-N 318.337 -0.541 30 20 DBED C=CCn1cc(C(=O)N2CCC[C@]3(C2)NC(=O)NC3=O)nn1 1326358359 JIPKNEOUIQWBBH-CYBMUJFWSA-N 304.310 -0.722 30 20 DBED C#CCOCCNC(=O)C(=O)N(C)[C@@H](CO)Cc1ccccc1 1328959415 NPEPXIKPUZDGPH-OAHLLOKOSA-N 318.373 -0.186 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)NCc1nc(C(F)(F)F)n[nH]1 1329627212 UUFBCOYHWUVPLL-LURJTMIESA-N 321.259 -0.243 30 20 DBED C=C(Br)CNC(=O)C(=O)NCCCn1cncn1 1330994191 ZOKGFTKLYPOYAU-UHFFFAOYSA-N 316.159 -0.191 30 20 DBED C=C[C@H](CO)NC(=O)[C@@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F 1332469573 KGOHNBZZYJNDAK-PRJMDXOYSA-N 301.286 -0.127 30 20 DBED C=C(Br)CNC(=O)C(=O)N[C@@H]1CCN(C(C)=O)C1 1334713980 RFGQQBOWTMRBCL-SECBINFHSA-N 318.171 -0.252 30 20 DBED C=C(C)Cn1c(C[C@H](C)O)nnc1N1CCN2C(=O)NC[C@H]2C1 1343642356 QOOUITGDKDVDNX-RYUDHWBXSA-N 320.397 -0.009 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N1CC[C@@H](N2CCOC2=O)C1 1350211810 FGDJEEZBPCRPIR-CYBMUJFWSA-N 317.345 -0.475 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)NC[C@@H]2CCCS(=O)(=O)C2)C1 1364670216 VACYHROODAWMQO-WCQYABFASA-N 315.395 -0.129 30 20 DBED N#CC1(CNC(=O)N[C@H]2CCc3nnnn3CC2)CCOCC1 1364676725 TUKBXKXDCBFNOP-NSHDSACASA-N 319.369 -0.002 30 20 DBED Cc1ncc(C(=O)N(C)C[C@H](O)CNC(=O)[C@H](C)C#N)n1C 1384254236 LMNNNQMUNUOGSV-MWLCHTKSSA-N 307.354 -0.563 30 20 DBED CO[C@@H](C(=O)N1CCN(CCNC(=O)[C@H](C)C#N)CC1)C1CC1 1385577309 DWTBKLPPWLHQDX-TZMCWYRMSA-N 322.409 -0.169 30 20 DBED CN(C)C(=O)Cn1c(C2CC2)nnc1N1CCO[C@@H](C#N)C1 1391011739 YEWRVTKUFYEVAS-NSHDSACASA-N 304.354 -0.028 30 20 DBED Cc1ccc(C#N)c(N(C)CCNC(=O)CCn2cnnn2)n1 1396157116 LMIJXTRVWCEPGQ-UHFFFAOYSA-N 314.353 -0.109 30 20 DBED C[C@H](C#N)C(=O)N(C)C[C@@H]1CCCN1C(=O)Cn1ncnn1 1404053238 OQBHLAIOWBZWDN-MNOVXSKESA-N 305.342 -0.718 30 20 DBED Cc1noc(C)c1CC(=O)N(C)C[C@H](O)CNC(=O)[C@@H](C)C#N 1413261580 VMOIITDTRKDGDJ-JOYOIKCWSA-N 322.365 -0.071 30 20 DBED CN(CCNC(=O)c1cc(C#N)c[nH]1)C(=O)CN1CCCC1=O 1415470173 FPZCAJQNOMQGNW-UHFFFAOYSA-N 317.349 -0.303 30 20 DBED Cc1ccc(C(=O)NC[C@H](O)CNC(=O)[C@H](C)C#N)c(O)n1 1416782023 MGULLPVBFHEMMC-PSASIEDQSA-N 306.322 -0.538 30 20 DBED C=C(Cl)CN1CCN(CCNC(=O)[C@H]2C[C@H]2C(N)=O)CC1 1419133766 NJSIQUUTAZTKMS-NEPJUHHUSA-N 314.817 -0.406 30 20 DBED CCN(CCC#N)C(=O)CN[C@@H](C)CNC(=O)c1ncccn1 1419885618 FTFIQMWGNBNMQE-LBPRGKRZSA-N 318.381 -0.053 30 20 DBED C=C(Cl)CN1CC(O)(CNC(=O)CCC(=O)NCC)C1 1421415078 BKDDWJSZZAXBOS-UHFFFAOYSA-N 303.790 -0.182 30 20 DBED Cc1cc(F)cc(C#N)c1S(=O)(=O)N(CCO)CCO 1423849792 FJMPECPGRLOGOK-UHFFFAOYSA-N 302.327 -0.019 30 20 DBED CO[C@H]1C[C@H](NC(=O)NCCn2cc(C#N)c(O)nc2=O)C1 1428074266 ARCPBBNAWQYOKR-MGCOHNPYSA-N 307.310 -0.703 30 20 DBED C[C@H](C#N)C(=O)NC1CN(C(=O)Cn2cc(C3CC3)nn2)C1 1430288474 DWERLKCIOSGIQV-SECBINFHSA-N 302.338 -0.358 30 20 DBED COc1cc(CCC(=O)NC[C@@H](O)CNC(=O)[C@@H](C)C#N)on1 1431535822 FFKAVOUSRVFCLH-VHSXEESVSA-N 324.337 -0.631 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(NC(=O)CCN2CCOCC2)CC1 1446770146 MMLINCFECRLODV-ZDUSSCGKSA-N 322.409 -0.024 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)c2cc3n(n2)CCO3)C1 1447446041 MPPVXJLHVFPWBP-OPRDCNLKSA-N 303.322 -0.188 30 20 DBED N#Cc1cn(CCC(=O)N2CC(=O)N(C3CC3)C2)c(=O)nc1O 1448829668 ZVCLDBSTQOZZMA-UHFFFAOYSA-N 317.305 -0.999 30 20 DBED C[C@@](O)(CNC(=O)CCn1cc(C#N)c(O)nc1=O)C1CC1 1465427964 HEOCFLXEAUKCLN-CQSZACIVSA-N 306.322 -0.512 30 20 DBED C[C@H](CNc1[nH]c(=O)n(C)c(=O)c1C#N)CN1CCOCC1 1472704554 AJWCMOFLRPFFRF-SNVBAGLBSA-N 307.354 -0.675 30 20 DBED C[C@@H](CNC(=O)Cn1cnnn1)NCc1ccc(C#N)s1 1480421737 NOSDDZPWWQZSNR-VIFPVBQESA-N 305.367 -0.099 30 20 DBED CCN(CCNC(=O)CNC(=O)NC)C(=O)c1ccc(C#N)[nH]1 1528900108 WKTYDKKQSFWMOU-UHFFFAOYSA-N 320.353 -0.606 30 20 DBED CCCN(CCNC(=O)[C@H](C)C#N)C(=O)[C@@H](C)S(C)(=O)=O 1529652747 XZKNRWMIOQZRKQ-GHMZBOCLSA-N 317.411 -0.066 30 20 DBED N#Cc1cn(CCNC(=O)c2cn3ccccc3n2)c(=O)nc1O 1557599699 CSSWJINAPWQCTO-UHFFFAOYSA-N 324.300 -0.102 30 20 DBED CC[C@@H](C)C[C@@H](NC(=O)Cn1cc(C#N)c(O)nc1=O)C(=O)O 1571154361 WXHFBOYFYPVLJV-PSASIEDQSA-N 322.321 -0.174 30 20 DBED C=CCS(=O)(=O)CCNC(=O)c1ccc(-c2nn[nH]n2)n1C 1573349006 YARWMRFVGCWDMB-UHFFFAOYSA-N 324.366 -0.464 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@H]1COCCN1CCc1cnn[nH]1 1575075028 ZCESGSLSULZRHA-DZGCQCFKSA-N 323.397 -0.509 30 20 DBED C[C@@H](O)C[C@H]1COCCN1c1cnc(-c2nn[nH]n2)c(C#N)n1 1575479645 GOGPFBJWOHWZPQ-BDAKNGLRSA-N 316.325 -0.496 30 20 DBED C#CCN(CC(=O)O)C(=O)C(=O)Nc1ncc(COC)s1 1588397293 CLVQXOCPPSENQX-UHFFFAOYSA-N 311.319 -0.226 30 20 DBED CC#CC(=O)N1CCN(c2c(-c3nn[nH]n3)c(C)nn2C)CC1 1588738436 OGNRAKZCKBPGBM-UHFFFAOYSA-N 314.353 -0.419 30 20 DBED CN1CCC(NC(=O)Cn2cnc(-c3nn[nH]n3)c2C#N)CC1 1591180915 QNYOXGQJZUIZIC-UHFFFAOYSA-N 315.341 -0.855 30 20 DBED CCC1(CC)NC(=O)N(CC(=O)N(CC#N)CCC(=O)O)C1=O 1595375644 APFNVTPDWRZKRZ-UHFFFAOYSA-N 324.337 -0.076 30 20 DBED CC#CC[C@@H](CO)NC(=O)C(=O)Nc1cncc(C(=O)O)c1 1602735013 IDJSAVNWCAQFPR-JTQLQIEISA-N 305.290 -0.391 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC[C@@H](N=c2cc[nH]c(C(=O)O)n2)C1 1602809302 FGLQDIVEDJXOJD-BMIGLBTASA-N 320.349 -0.063 30 20 DBED C=CC[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](O)C[C@@H](C(=O)O)C2)C1 1602855539 TWSFDCXWSYWSKJ-UTUOFQBUSA-N 310.350 -0.295 30 20 DBED CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)N(CC#N)CCC(=O)O 1603310567 PMWPJEHCSJRLMI-SNVBAGLBSA-N 319.383 -0.223 30 20 DBED CO[C@H](C(=O)O)C(=O)N=c1nc(C)[nH]n1-c1ccc(C#N)cc1 1604440835 IWGMNNDHTWIUKM-NSHDSACASA-N 315.289 -0.093 30 20 DBED N#Cc1cn(C2CN(C(=O)[C@@H](C(=O)O)C3CC3)C2)c(=O)nc1O 1605623122 VXCVJIURWNFNAK-JTQLQIEISA-N 318.289 -0.685 30 20 DBED N#CCCNC(=O)CN1CCC[C@@H](n2cc(C(=O)O)nn2)C1 1610621521 KYOSRXQSUQISSJ-SNVBAGLBSA-N 306.326 -0.357 30 20 DBED C#CCN1CCC[C@H]1CCCNC(=O)Cn1c(O)nnc1O 1753037413 GIMKVGBLCBGTIM-LLVKDONJSA-N 307.354 -0.317 30 20 DBED C=CCNC(=O)CN1CC[C@@H](CNC(=O)C(C)(C)NC(C)=O)C1 1753136123 SGGAEGISUSYQOS-ZDUSSCGKSA-N 324.425 -0.359 30 20 DBED COCC(=O)N(C)CC(=O)N1CCC[C@H](CCNCC#N)C1 1753547412 CFZKIGYFBRFKEC-CYBMUJFWSA-N 310.398 -0.167 30 20 DBED C=CCNC(=O)[C@H](C)NC[C@H](C)CNC(=O)c1cnn(C)n1 1753635088 WFOGVYYLAWFRQU-QWRGUYRKSA-N 308.386 -0.539 30 20 DBED C[C@@H](CNCC(=O)NC[C@@H]1CCOC1)N(C)C(=O)C#CC1CC1 1753690455 WPMJRJKTILWUHJ-ZFWWWQNUSA-N 321.421 -0.011 30 20 DBED C#CCNC[C@H]1[C@@H](C)CCCN1C(=O)CN1CC(=O)N(C)C1=O 1753811213 HMGYUIPGSVHNFX-STQMWFEESA-N 320.393 -0.270 30 20 DBED C=CCN1CC[C@H](N(C)CCN(C)C(=O)c2nc[nH]n2)C1=O 1753865840 KLXLAHIFKNKZAN-NSHDSACASA-N 306.370 -0.405 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCN(C)C(=O)C12CCN(CC1)C2 1754407787 LZQQZDLSPPHKFB-CQSZACIVSA-N 320.437 -0.342 30 20 DBED C#CCNC(=O)CN1CC(O)(CNC(=O)[C@@H]2CCC[C@H]3C[C@H]32)C1 1754769514 CLQZKIKCMGMGSZ-BFHYXJOUSA-N 319.405 -0.665 30 20 DBED N#CCNC(=O)CN1C[C@H]2C[C@H](NC(=O)c3cc[nH]n3)C[C@H]1C2 1754779604 OGNLMPCQVJFXBL-SDDRHHMPSA-N 316.365 -0.368 30 20 DBED C=CCN1CCN([C@H]2CCN(C(=O)C[C@H](C)NC(N)=O)C2)CC1 1755019786 RLXZAIVPNMABIG-KBPBESRZSA-N 323.441 -0.162 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)c2cnon2)C[C@H]1C 1755167266 METJFORLEBLJNX-GHMZBOCLSA-N 307.354 -0.046 30 20 DBED COCC#CCN1CC([C@H](C)NC(=O)c2cncnc2O)C1 1755380091 YQCOFDSUKRFKEI-NSHDSACASA-N 304.350 -0.118 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H](CO)CNC(=O)c1cc(C)ncn1 1755626056 YGVYEZDNPHDFCB-NWDGAFQWSA-N 321.381 -0.844 30 20 DBED CCCN(C)CC(=O)N[C@H]1CCCN(CC(=O)NCC#N)[C@H]1C 1755720879 KCFFUOFFGMMJOR-KBPBESRZSA-N 323.441 -0.063 30 20 DBED C#CCOCCC(=O)N[C@H](C)[C@@H](C)NC(=O)[C@@H]1[C@H]2COC[C@H]21 1755971807 VGRQPMDTEJKXLD-NTASLKFISA-N 308.378 -0.072 30 20 DBED C#CCOCCC(=O)N1CC([C@H](C)NC(=O)[C@@H](C)CC(N)=O)C1 1756152431 POVZNLCBHXGWSW-RYUDHWBXSA-N 323.393 -0.499 30 20 DBED Cc1c(C(=O)N(C)CCOCCNC(=O)[C@@H](C)C#N)nnn1C 1756381351 FXEVGBPINSFZBZ-JTQLQIEISA-N 322.369 -0.512 30 20 DBED C[C@H](CN(C)C(=O)CN1CCOCC1)NC(=O)C#CC1CC1 1756445728 STEVBYQZZWZGOI-CYBMUJFWSA-N 307.394 -0.305 30 20 DBED C=C(Cl)C(C)(C)C(=O)N(CCNC(=O)C(N)=O)CCOC 1756728544 IKSGTXLCEAAHRR-UHFFFAOYSA-N 319.789 -0.158 30 20 DBED C=C[C@@](C)(O)CC(=O)N1C[C@@H](O)[C@H](NC(=O)C2=CCOCC2)C1 1756998030 PZWRUHHMDMBLQN-XJKCOSOUSA-N 324.377 -0.652 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@@H]1O 1757199411 OOGLNQAPFKZZBM-YTWAJWBKSA-N 309.366 -0.992 30 20 DBED C[C@H](C#N)C(=O)NCc1nc2c(s1)CCN(C(=O)C(N)=O)C2 1757550565 XWHDNUOQOZBPAT-SSDOTTSWSA-N 321.362 -0.711 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)Cc1cnccn1)CCO2 1783046074 JEQWWCOBYXWVTQ-MRXNPFEDSA-N 314.345 -0.518 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)/C=C/c1cnc[nH]1)CCO2 1783054491 WZXPQBROIYQGRY-CWDCEQMOSA-N 314.345 -0.114 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncoc1C)C2 1800454017 YPBGJRPULWWBFU-GNXNZQSNSA-N 303.318 -0.181 30 20 DBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)/C=C/OCC)CCO2 1840311104 GCCLYBMRMRUYFH-WHWKNOJMSA-N 322.361 -0.374 30 20 DBED COC[C@@H](NC(C)=O)C(=O)N1CC2(CCCN2C(=O)CC#N)C1 1842622349 CJNBPLVJXQWTMP-GFCCVEGCSA-N 322.365 -0.745 30 20 DBED C#CCCCC(=O)N1CCCC12CN(C(=O)CNC(N)=O)C2 1846375290 WGHWBEKJOBNPNX-UHFFFAOYSA-N 306.366 -0.338 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N1CCN(c2cnccn2)CC1 27638770 OSNUQQTULINROQ-GFCCVEGCSA-N 318.381 -0.001 30 20 DBED C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)OC)c1 28452403 LVTJJYYVJREIQN-UHFFFAOYSA-N 311.315 -0.072 30 20 DBED CS(=O)(=O)NCCNS(=O)(=O)c1ccccc1C#N 35207856 GVHSOHXVGLYYCP-UHFFFAOYSA-N 303.365 -0.614 30 20 DBED CCN(CC#N)S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 49442948 FOXZZMBPCUUEBD-UHFFFAOYSA-N 303.365 -0.132 30 20 DBED COC(=O)C1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC1 54358254 ODWSUOXFFDZHJG-UHFFFAOYSA-N 306.322 -0.655 30 20 DBED C#CCN1CCN(C(=O)CCCN2C(=O)CN(C)C2=O)CC1 128336834 PNLMUFQSOYGQRC-UHFFFAOYSA-N 306.366 -0.562 30 20 DBED Cn1cc(C#N)c(=O)n([C@H]2CCN(CC(F)(F)F)C2=O)c1=O 134712516 ZCQCOYHUNISOQC-QMMMGPOBSA-N 316.239 -0.246 30 20 DBED C/N=C(/NC[C@@H]1CN2CCN1CC2)N[C@@H]1CN(C2CC2)C[C@@H]1C 261664642 BFJWHUNCGBZNRE-NUEKZKHPSA-N 320.485 -0.366 30 20 DBED COC(=O)c1ccc(S(=O)(=O)N2CCN(CC#N)CC2)o1 264586699 KTSKLPXWKYYROT-UHFFFAOYSA-N 313.335 -0.104 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1CCC[C@@H](S(C)(=O)=O)C1 274183794 PFKMEYZNEFHMJO-WDEREUQCSA-N 317.411 -0.104 30 20 DBED C#C[C@@H](C)NC(=O)c1cc(C)c2c(=O)n(C)c(=O)n(C)c2n1 274737772 JEEAQTFFSBSCJI-SECBINFHSA-N 300.318 -0.308 30 20 DBED COCCN1CN(S(=O)(=O)c2ccc(C#N)nc2)CC1=O 282373328 IMXZUWFMKCHMHB-UHFFFAOYSA-N 310.335 -0.610 30 20 DBED CNC(=O)[C@@H]1CCCN1CCS(=O)(=O)c1ccc(C#N)cn1 290539938 ZTGQMEQOMZEXDX-LBPRGKRZSA-N 322.390 -0.063 30 20 DBED C=C[C@H](CO)NC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C 291232835 KTJIAZBGVZWHLQ-CHWSQXEVSA-N 312.414 -0.225 30 20 DBED CCN(C[C@@H](C)C#N)C(=O)CN1[C@H](C)C(=O)N(C)S1(=O)=O 294894652 BIKUCSOIFZSLBX-VHSXEESVSA-N 316.383 -0.598 30 20 DBED Cc1nc(N=C(O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)nn1C 329115056 SPLSJWHTVAWYQS-OYBPUVFXSA-N 319.321 -0.126 30 20 DBED C[C@@H](/N=C(/O)c1ccoc1)C(=O)N1CCN(C(=O)CO)CC1 330502812 XQDWCCWSPWRNFB-SNVBAGLBSA-N 309.322 -0.364 30 20 DBED Cc1cc(NC(=O)N2CCN(CCO)CC2)nn1CCC#N 330703045 PJZGKZJOORGWCZ-UHFFFAOYSA-N 306.370 0.247 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N1CC[C@H](C)S(=O)(=O)CC1 331914442 GFTFPJBDUOLVGX-MNOVXSKESA-N 323.440 -0.168 30 20 DBED C[C@@](C#N)(NC(=O)CN1CCOC[C@@H]1c1nc[nH]n1)C1CC1 332754693 GSAVVGXXLJSGTE-RISCZKNCSA-N 304.354 -0.014 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)NCCCN(C)CCN(C)C 341639979 GJFGCYPCYHKINT-CYBMUJFWSA-N 319.475 -0.062 30 20 DBED N#CCCN(CCN1CCOCC1)C(=O)C(=O)NCC(F)F 347042052 OIMQULJLDVAFEZ-UHFFFAOYSA-N 318.324 -0.558 30 20 DBED C=CCC[C@H](O)CN[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 351233057 YWMPZKVKGWMTLN-IHRRRGAJSA-N 318.439 -0.599 30 20 DBED CCN(CCC#N)C(=O)CN1CCN(C)C[C@H](C(=O)OC)C1 411911046 STBLPMIDQDTTFH-ZDUSSCGKSA-N 310.398 -0.215 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCCCn1c(=O)ccn(C)c1=O 425287091 ZKVNKATZEQMYOA-NEPJUHHUSA-N 307.350 -0.356 30 20 DBED C=CCOC[C@H](NC(=O)C1(S(C)(=O)=O)CCC1)C(=O)OC 435933012 CVCUBLCZQKOMFN-JTQLQIEISA-N 319.379 -0.186 30 20 DBED Cc1cccc(NC(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)c1C#N 442359466 ZNOCNLUJTYJTFL-SECBINFHSA-N 324.362 -0.402 30 20 DBED CCN1C[C@H](NS(=O)(=O)N(CC)C[C@H](C)C#N)CC1=O 451863515 FRXUDASCUOPAPF-GHMZBOCLSA-N 302.400 -0.077 30 20 DBED CS(=O)(=O)N1CCC[C@H](C(=O)N[C@@H]2CCCN(O)C2=O)C1 529428984 PAODFLNCHCUNKW-VHSXEESVSA-N 319.383 -0.846 30 20 DBED Cc1oc(NC(=O)CN[C@@]2(C(N)=O)CCOC2)c(C#N)c1C 566628736 SZGAPHSJDAZYFX-AWEZNQCLSA-N 306.322 -0.059 30 20 DBED C=CCOCCCN1CCO[C@H](CNc2nccn(C)c2=O)C1 577001508 MDIKXZBOLXIHAA-CQSZACIVSA-N 322.409 0.486 30 20 DBED N#CCN1CCC(NC(=O)CNC(=O)c2ccccn2)CC1 610064561 DYOWEFMAYIRSAY-UHFFFAOYSA-N 301.350 -0.084 30 20 DBED COC(=O)C1(O)CCN(C(=O)Nc2nn(C)cc2C#N)CC1 611283222 XSTOJIGRYWDHNI-UHFFFAOYSA-N 307.310 -0.176 30 20 DBED Cn1cc(C#N)c(NC(=O)NCC2CN(S(C)(=O)=O)C2)n1 614688549 BQWGGYZGAHUFRK-UHFFFAOYSA-N 312.355 -0.695 30 20 DBED N#Cc1ccc([C@@H](OC(=O)C2=NNC(=O)CC2)C(N)=O)cc1 734563426 WDCHOPRIZGGHPS-GFCCVEGCSA-N 300.274 -0.106 30 20 DBED C[C@H](O)c1cn(CC(=O)NCCNc2ncccc2C#N)nn1 763028157 GFYJDKWEFQTTSG-JTQLQIEISA-N 315.337 -0.174 30 20 DBED C=CCN(CC=C)C(=O)COC(=O)CNS(=O)(=O)CC 767395641 INLGVMNASLOPEJ-UHFFFAOYSA-N 304.368 -0.331 30 20 DBED COCCN1CCN(S(=O)(=O)CC(C)(C)C#N)CC1=O 790042193 FCNXQSNYYXMASX-UHFFFAOYSA-N 303.384 -0.343 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)C(=O)C2CC2)C1=O 798609021 IRMBUDVOYWSTCJ-MRVPVSSYSA-N 308.290 -0.126 30 20 DBED COC(=O)[C@@]1(F)CCN(S(=O)(=O)N(C)C[C@H](C)C#N)C1 800071365 NPSDPLZCDIYOKI-MWLCHTKSSA-N 307.347 -0.090 30 20 DBED C#CCCS(=O)(=O)NC(=O)[C@H]1COCCN1CC(F)F 810781728 BVAPEJKNJFKGOM-SECBINFHSA-N 310.322 -0.578 30 20 DBED C=CCS(=O)(=O)NC(=O)CN(C)C(=O)[C@@H](C)n1cccn1 815996543 ILICFABJRGLWPC-SNVBAGLBSA-N 314.367 -0.466 30 20 DBED C#CC[C@H](CO)NC(=O)c1coc(S(=O)(=O)N(C)C)c1 820065286 XUUPQWRJUMJPTO-SNVBAGLBSA-N 300.336 -0.356 30 20 DBED CC(C)C#CC(=O)N[C@@H](C)C(=O)N1CCS(=O)(=O)CC1 825875091 YXZXGHRMGBVLSR-NSHDSACASA-N 300.380 -0.593 30 20 DBED N#CCN1CCC(NS(=O)(=O)c2c[nH]c(C(=O)O)c2)CC1 833066809 IFIYUMFWZHRADO-UHFFFAOYSA-N 312.351 -0.021 30 20 DBED Cn1cc(-c2nn(C)cc2C(=O)N[C@H]2CCCN(O)C2=O)cn1 848133684 FFICGHGITODALX-NSHDSACASA-N 318.337 -0.069 30 20 DBED C#CCONC(=O)[C@@H]1CC(=O)N(c2cnn(CCOC)c2)C1 855606650 MOMIKONIGGZONS-LLVKDONJSA-N 306.322 -0.437 30 20 DBED C#CC[C@@H](NC(=O)[C@@H](CO)NC(=O)OC(C)(C)C)C(=O)OC 861951459 ZDFBBTOMAIIHDK-NXEZZACHSA-N 314.338 -0.447 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC(C(N)=O)(N2CCCCC2)CC1 880251196 JSHVKPMYGICSCO-AWEZNQCLSA-N 320.437 -0.070 30 20 DBED C#CCN1CCC[C@H](NC(=O)N[C@@H]2CCC(=O)N(C)C2=O)C1 884429093 XUXYFQLWSJFWPD-NWDGAFQWSA-N 306.366 -0.469 30 20 DBED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C1CN(S(C)(=O)=O)C1 907947546 HRMJSBJDBFVFSI-ZYHUDNBSSA-N 302.396 -0.025 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N[C@H](C)[C@@H]1CN(C)CCN1C 919991775 XWXLQFCJFUOYHZ-UPJWGTAASA-N 317.459 -0.453 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](NC(=O)c2ccc(C(N)=O)cn2)C1 941298240 VIKFBWCIRODZMZ-GXSJLCMTSA-N 315.333 -0.329 30 20 DBED C#CCN1CC[C@H](NC(=O)Cn2ccc(O)nc2=O)[C@H](C)C1 942313530 JFQBVHMBWCMKGV-NEPJUHHUSA-N 304.350 -0.591 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)C2)C1 942363059 DGGINUDIJCWYDT-MNOVXSKESA-N 306.366 -0.259 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(NC(=O)C(N)=O)CC1 946889885 RVJQGSRRSXJSQR-RYUDHWBXSA-N 309.366 -0.440 30 20 DBED N#Cc1ccc(CN2CCN(C(=O)[C@@H]3CNC(=O)N3)CC2)cc1 949953172 DENHRIKGPQOUSB-AWEZNQCLSA-N 313.361 -0.116 30 20 DBED C[C@@H]1C[C@H](NC(=O)C(N)=O)CCN1C(=O)c1c[nH]c(C#N)c1 955629141 IVSXUFBPSPLEEF-PSASIEDQSA-N 303.322 -0.519 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H]1CNC(=O)c1ccc(C(N)=O)[nH]1 956190199 KLKQABYZUBROBU-UWVGGRQHSA-N 317.349 -0.006 30 20 DBED COCCn1cc(C(=O)NC[C@@H]2CN(CC#N)C[C@@H]2O)c(C)n1 958064709 VXGIEAHPEJLMHX-OCCSQVGLSA-N 321.381 -0.616 30 20 DBED Cc1cc(=O)c(C(=O)NC[C@H]2CN(CC#N)C[C@H]2O)cn1C 958151572 KAROXSOOCAIVGV-SMDDNHRTSA-N 304.350 -0.760 30 20 DBED C#CCCN1C[C@@H](O)[C@H](CNC(=O)c2ccn(C)c(=O)c2)C1 958184198 WXRDRAGYQZCJAW-ZIAGYGMSSA-N 303.362 -0.569 30 20 DBED C=C(C)CN1C[C@H](CNC(=O)c2ccc(=O)n(C)n2)[C@@H](O)C1 958648943 DXXGMZCXJOGCIF-AAEUAGOBSA-N 306.366 -0.621 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@H](NC(=O)CN2CCCC2=O)C1 961477364 LTZRIOSUNDOORD-NEPJUHHUSA-N 323.393 -0.491 30 20 DBED C=CCN1CC[C@H](NCC2CC(NC(=O)c3nc[nH]n3)C2)C1=O 962436050 VPJAYOXILOJTJI-MCIGGMRASA-N 318.381 -0.310 30 20 DBED O=C(NC[C@@H]1COCCN1C(=O)C#CC1CC1)c1cnccn1 964068882 SRUYSLOMECGGLO-CYBMUJFWSA-N 314.345 -0.153 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)c1ccncn1 964317219 CEUIHKGZWSQSNS-WDEREUQCSA-N 303.322 -0.407 30 20 DBED CC#CCN1CC[C@H](C)[C@@H](NC(=O)CN2C(=O)CNC2=O)C1 968626597 BABIAFGCBLFYOF-RYUDHWBXSA-N 306.366 -0.612 30 20 DBED C=C(Cl)CN(C)[C@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 971822747 YXRIWAGEUHGHNX-NSHDSACASA-N 313.789 -0.133 30 20 DBED Cn1c(C(=O)N2CC[C@@]3(CN(CC#N)CCO3)C2)cccc1=O 972545325 HIOWBJAUVOKPIB-MRXNPFEDSA-N 316.361 -0.174 30 20 DBED COc1nccc(C(=O)N[C@H]2[C@@H]3CN(C(=O)[C@@H](C)C#N)C[C@@H]32)n1 976903244 DADNRAUPGNCHBX-UXCLJVHYSA-N 315.333 -0.169 30 20 DBED N#Cc1ccc(C(=O)N2C[C@H]3[C@@H](NC(=O)C(N)=O)CC[C@H]3C2)[nH]1 979799464 AKVKVDJCWSMPHZ-GDPRMGEGSA-N 315.333 -0.662 30 20 DBED C#CCN[C@@H]1CCN(C(=O)Cc2ccc(C(N)=O)nc2)[C@H]1C 986416614 VXARGTOLFYAVBP-WCQYABFASA-N 300.362 -0.065 30 20 DBED CN1CC[C@@H](C(=O)N2CC(NC(=O)c3ccc(C#N)[nH]3)C2)C1=O 990869273 WHQPQDUTRGPUCE-LLVKDONJSA-N 315.333 -0.695 30 20 DBED Cn1ccc(C(=O)N[C@H]2CCN(C(=O)C#CC3CC3)C[C@H]2O)n1 991498611 DDUOHPVDFBTXRW-GXTWGEPZSA-N 316.361 -0.475 30 20 DBED N#Cc1cc(C(=O)NCC2CC(NC(=O)c3nc[nH]n3)C2)c[nH]1 992047027 NXZAGMQCXCMQBA-UHFFFAOYSA-N 313.321 -0.057 30 20 DBED C[C@@H]1[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)CCCN1CC#N 993921931 ZAAYBWAGMAHXCK-ZYHUDNBSSA-N 319.365 -0.810 30 20 DBED C#CCCN1CCC[C@@H](NC(=O)CN2CCC(=O)NC2=O)[C@@H]1C 994168632 PUQHQYVGFGAHHA-QWHCGFSZSA-N 320.393 -0.079 30 20 DBED CCC(=O)N1CCN(C(=O)[C@H](C)C#N)[C@H]2CS(=O)(=O)C[C@H]21 995417987 BWUGVGNWVORLEB-MXWKQRLJSA-N 313.379 -0.608 30 20 DBED Cn1cc(C(N)=O)cc1C(=O)NC1CN(C(=O)C#CC2CC2)C1 996774932 VLRFEMDTUDQMHQ-UHFFFAOYSA-N 314.345 -0.522 30 20 DBED Cn1nnc(CN[C@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)C2)n1 998969858 OFJWUYBCWDYABU-NSHDSACASA-N 314.353 -0.196 30 20 DBED C#CCN1CC[C@H](n2cc(CNC(=O)c3cncn3C)nn2)C1 1000002985 NVZZRBHSUGHTCO-ZDUSSCGKSA-N 313.365 -0.178 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(CNC(=O)c2nc[nH]n2)C1 1003693913 NMIXZIFKZRLGAA-MNOVXSKESA-N 305.338 -0.416 30 20 DBED C[C@@H](C#N)C(=O)N1CC([C@@H](C)NC(=O)c2cn(C)c(=O)n2C)C1 1006278188 IKOLGMCYKDCNQN-VHSXEESVSA-N 319.365 -0.540 30 20 DBED N#CCN1CCC[C@H](NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 1007322493 VOTSCARSJIOTBB-NEPJUHHUSA-N 316.365 -0.133 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C(=O)c2cc(=O)n(C)cn2)CC1 1011315654 AQSHEOXURZTZNE-JTQLQIEISA-N 303.322 -0.776 30 20 DBED Cc1nc(O)[nH]c1C(=O)NC1[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]12 1013262014 HRGHNFNRWMYNCS-FTLITQJKSA-N 303.322 -0.230 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@]23CCC[C@H]2N(C(=O)C(N)=O)CC3)c1 1014232263 JZKOGAYTLOPUJZ-IAQYHMDHSA-N 315.333 -0.375 30 20 DBED C#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CCN(C)C(=O)C1 1017688788 DOBULDZYTYSPCJ-OKILXGFUSA-N 304.394 -0.931 30 20 DBED Cc1ncc(C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2O)n1C 1025216629 PPJLXKBQJVWQFG-TZMCWYRMSA-N 316.361 -0.557 30 20 DBED CCc1nocc1C(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1025513771 RBJCPRWWTJCDDS-ZIAGYGMSSA-N 317.345 -0.048 30 20 DBED C#CCN[C@@H]1CC[C@H]2CN(C(=O)c3cn(C)c(=O)n3C)C[C@@H]21 1026428892 OLNVWFGKCCTZDA-RWMBFGLXSA-N 302.378 -0.203 30 20 DBED N#Cc1ccccc1CN1CC(NC(=O)[C@H]2COC(=O)N2)C1 1030269018 JIZOYEZATUFWPC-CYBMUJFWSA-N 300.318 -0.033 30 20 DBED C=CCCn1cc(C(=O)NC2CN(Cc3cnon3)C2)nn1 1031079046 BLFJQBWIWDZXGZ-UHFFFAOYSA-N 303.326 -0.149 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCC1CN(CCN2CCNC2=O)C1 1031988459 YTEKSPKBDRSIKI-KGLIPLIRSA-N 322.409 -0.349 30 20 DBED C=CCn1cc(C(=O)NCC2CN([C@@H]3CCNC3=O)C2)nn1 1032036296 XDXBGJQZYNHBRP-GFCCVEGCSA-N 304.354 -0.986 30 20 DBED C=CCN1C[C@@H]2C[C@H]1CN2C(=O)CN1C(=O)NC(=O)C1(C)C 1032716358 SZVWHFISKDCIPH-QWRGUYRKSA-N 306.366 -0.212 30 20 DBED C=C(C)CCC(=O)N1CC[C@@](O)(CNC(=O)[C@H]2CCNC2=O)C1 1040486173 RJRABWHTHQNBHM-BLLLJJGKSA-N 323.393 -0.442 30 20 DBED O=C(Cc1ncc[nH]1)NC[C@@]1(O)CCN(C(=O)C#CC2CC2)C1 1040692620 AZUIBCZTVBGNQG-INIZCTEOSA-N 316.361 -0.555 30 20 DBED N#CCN1CCC2(CC1)CCN(C(=O)CCn1cnnn1)C2 1040894058 GNOAIILBBHVPNG-UHFFFAOYSA-N 303.370 -0.099 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)c2cnn(C)c2C)C1 1041478058 HZSTZSBKISMJHU-UHFFFAOYSA-N 318.377 -0.165 30 20 DBED C#CCN1CC[C@@]2(CCN(C(=O)CN3C(=O)CNC3=O)C2)C1 1041819334 FSBZQYYBKQBRKG-OAHLLOKOSA-N 304.350 -0.904 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(O)(CNC(=O)[C@@H](CC)OC)C1 1041904226 FBKMOMDQBHWWHC-BXUZGUMPSA-N 314.382 -0.572 30 20 DBED COCc1cc(C(=O)NCC2(O)CN(C(=O)[C@H](C)C#N)C2)no1 1043097463 MRRJZDXNXPZUPZ-SECBINFHSA-N 322.321 -0.716 30 20 DBED CC#CCCCC(=O)N1CC(O)(CNC(=O)[C@H](C)CC(N)=O)C1 1044427716 QIESLMWGWGDFSN-GFCCVEGCSA-N 323.393 -0.619 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)/C=C/c2ccc[nH]2)C1 1045540813 MARMNGBBUXKFCK-ZWNMCFTASA-N 302.334 -0.123 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)c2cc(Cl)no2)C1 1045560474 WRHNNKUCCNGMKY-SSDOTTSWSA-N 312.713 -0.209 30 20 DBED C#CCN1[C@H]2CC[C@H]1CN(C(=O)CN1C(=O)CN(C)C1=O)CC2 1045887592 HLAXUCBETAYEPI-STQMWFEESA-N 318.377 -0.421 30 20 DBED N#CCN1CC[C@]2(CCCCN(C(=O)Cn3ncnn3)C2)C1 1045941669 LFCXQMZBBXJGTQ-CQSZACIVSA-N 303.370 -0.099 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCC1(O)CN(C(=O)c2cn[nH]c2)C1 1046814153 DVJKBIKBVITXGS-NEPJUHHUSA-N 320.349 -0.696 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)c2nc(C)c(C)[nH]c2=O)C1 1047423300 LXVRSCLIBDOLCO-RYUDHWBXSA-N 306.366 -0.310 30 20 DBED CCc1cc(C(=O)N(C)[C@H]2CN(CC#N)C[C@@H]2O)cc(O)n1 1047460484 GVSPUIKQXOXGRE-STQMWFEESA-N 304.350 -0.010 30 20 DBED CCCn1nc(C(=O)N(C)[C@H]2CN(CC#N)C[C@@H]2O)ccc1=O 1047624001 BEOWEMINTQPOCK-STQMWFEESA-N 319.365 -0.706 30 20 DBED Cc1cnoc1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)C#N)C1 1049394267 IQLQYOKMLIJZSW-MIMYLULJSA-N 306.322 -0.214 30 20 DBED C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1ncn(C)c1=O 1049562769 XZMISYZAOVNCHE-STQMWFEESA-N 305.382 -0.167 30 20 DBED CC#CCN1CCC2(CC1)CN(C(=O)c1nnc(O)nc1O)C2 1050582241 YSRBXVSKTMRPGK-UHFFFAOYSA-N 317.349 -0.156 30 20 DBED CCn1cc(CNC[C@H]2CN(C(=O)[C@H](C)C#N)CCO2)nn1 1051495260 SQNJBWKMQMFUMC-YPMHNXCESA-N 306.370 -0.225 30 20 DBED N#CCN1CCN([C@H]2CCN(C(=O)c3cc[n+]([O-])cc3)C2)CC1 1051976968 MGFXPDIVUCEWJE-HNNXBMFYSA-N 315.377 -0.324 30 20 DBED C#CCN1CCC[C@H](NC(=O)[C@H]2CN(C(C)=O)CCO2)CC1 1052905465 KHRIMOSZSZJSOO-LSDHHAIUSA-N 307.394 -0.162 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)[C@H](C)S(C)(=O)=O)CCO2 1053310070 WJQUNSWFSGCFDS-LBPRGKRZSA-N 314.407 -0.644 30 20 DBED N#CCN1CC2(C1)CN(C(=O)c1cnn3cc[nH]c13)CCO2 1053518005 KPHHZNDUPAQABW-UHFFFAOYSA-N 300.322 -0.287 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)[C@H]3COCCN3CC)CO2)C1 1053853306 BUMQBPIFSXUOJR-HUUCEWRRSA-N 321.421 -0.310 30 20 DBED CN1C(=O)CCC[C@H]1C(=O)N[C@@H]1COC2(C1)CN(CC#N)C2 1053996681 JIQGLSJQGDPOLF-RYUDHWBXSA-N 306.366 -0.520 30 20 DBED N#Cc1cnc(N[C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)C(N)=O)C3)cn1 1054839839 SLAGUFFQBWRELO-NGZCFLSTSA-N 300.322 -0.375 30 20 DBED N#Cc1nccc(N2C[C@H]3[C@H](NC(=O)[C@@H]4COCCO4)[C@H]3C2)n1 1056133445 AEPCODZTGDHKCK-BBGACYKPSA-N 315.333 -0.686 30 20 DBED N#Cc1ccc(N2C[C@H]3[C@H](NC(=O)[C@H]4COCCO4)[C@H]3C2)nn1 1056134278 HEOOTACUKSUFHX-CZXHOFHRSA-N 315.333 -0.686 30 20 DBED Cn1cc(C(=O)NC2[C@@H]3CN(c4cncc(C#N)n4)C[C@@H]23)cn1 1056135809 RSMXPYZIHBCLTH-VXGBXAGGSA-N 309.333 -0.054 30 20 DBED CN1CCC[C@@H]1C(=O)NC1[C@@H]2CN(c3cnc(C#N)cn3)C[C@@H]12 1056148736 GRUNSOSSJPGEIL-JHJVBQTASA-N 312.377 -0.007 30 20 DBED N#Cc1nccnc1N1C[C@H]2[C@H](NC(=O)c3cnnc(O)c3)[C@H]2C1 1056334171 YQIATOGVEOWTQN-IWIIMEHWSA-N 323.316 -0.292 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)[C@@H](COC)OC 1057171341 XRNHZWQONWMJTR-GFCCVEGCSA-N 302.371 -0.449 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)c1coc(C)n1 1057419232 AGJATGCMFUOYTB-UHFFFAOYSA-N 311.338 -0.264 30 20 DBED C#CCOCCC(=O)N(CCO)CCNC(=O)c1cc[nH]c1C 1057580860 ILFSRSTXQNGYPL-UHFFFAOYSA-N 321.377 -0.086 30 20 DBED Cn1cnc(C(=O)N[C@H]2CCCN(c3ccnc(C#N)n3)C2)n1 1058154153 WGKALWFVMHNYNB-JTQLQIEISA-N 312.337 -0.124 30 20 DBED CCn1nccc1C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N 1058653298 ROEFBYUGJDNCHN-NSHDSACASA-N 307.354 -0.387 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](CCNC(=O)[C@@H](C)C#N)C1 1059501821 DIPCEEQRGGXKFD-QWHCGFSZSA-N 318.377 -0.360 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@H](CCNC(=O)CC(=O)NC)C1 1059646925 ZNWBNXIXQYSCBQ-OLZOCXBDSA-N 323.393 -0.484 30 20 DBED N#Cc1cnc(N[C@H]2C[C@@H](NC(=O)C[C@H]3CCNC3=O)C2)cn1 1059739062 WKQQLHRRTYNDIX-MXWKQRLJSA-N 314.349 -0.066 30 20 DBED N#Cc1cncc(N[C@H]2C[C@@H](NC(=O)[C@H]3CNC(=O)N3)C2)n1 1059803058 UCWKMIAJPIRPHU-KHQFGBGNSA-N 301.310 -0.911 30 20 DBED CN1C[C@@H](C(=O)N[C@H]2C[C@@H](N=c3cc[nH]cc3C#N)C2)CC1=O 1059862622 UICVOFPACRCLPW-WCFLWFBJSA-N 313.361 -0.087 30 20 DBED N#Cc1nccnc1NC[C@@H]1CCN(C(=O)Cn2ncnn2)C1 1060926585 BXOQZHMCKWKCPT-JTQLQIEISA-N 313.325 -0.705 30 20 DBED O=C(C#CC1CC1)NC[C@H]1COCCN1C(=O)[C@]1(F)CCOC1 1061572739 CRDYCSBJNFPQMU-BBRMVZONSA-N 324.352 -0.128 30 20 DBED CNC(=O)CC(=O)N1CCOC[C@@H]1CNC(=O)C#CC(C)(C)C 1061575138 KAYLLHFZFIUAHO-LBPRGKRZSA-N 323.393 -0.484 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)Cc1cnn(C)c1 1061845600 JNPCHUCXBLAFLT-WCQYABFASA-N 319.365 -0.534 30 20 DBED N#Cc1nccnc1N1C[C@H]2C[C@H]1[C@@H]2NC(=O)Cn1cncn1 1064256959 LYKXUJZQBWNNAY-SUZMYJTESA-N 310.321 -0.667 30 20 DBED N#Cc1ccc(N2[C@H]3CCC[C@H]2CN(C(=O)C(N)=O)C3)nn1 1064535356 RAMHQPLAWOPSAR-QWRGUYRKSA-N 300.322 -0.597 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)CCNC(N)=O)CCO1 1065142571 QKFAAMUQPJWPAP-GFCCVEGCSA-N 324.381 -0.952 30 20 DBED Cc1ccn(CC(=O)NC[C@H]2CN(C(=O)[C@@H](C)C#N)CCO2)n1 1065557715 UOFQDBUSGCLCLB-AAEUAGOBSA-N 319.365 -0.305 30 20 DBED Cn1nnc(C(=O)N2C[C@@H]3CN(c4ccc(C#N)cn4)C[C@@H]3C2)n1 1066050623 HJLFIDHQFHPPFO-TXEJJXNPSA-N 324.348 -0.315 30 20 DBED N#Cc1nc(=NC[C@H]2CN(C(=O)c3cc[nH]n3)CCO2)cc[nH]1 1066584305 ZXILBOLNAOFPPN-JTQLQIEISA-N 313.321 -0.554 30 20 DBED N#Cc1c(F)cccc1NC[C@@H]1CN(C(=O)C(N)=O)CCO1 1066668600 GRTTXYLAULQTIG-SECBINFHSA-N 306.297 -0.178 30 20 DBED Cc1cc(C#N)nc(N2C[C@@H](O)[C@@H](CNC(=O)C3CC3)C2)n1 1067642910 MVXVGCJNSHTVHO-WCQYABFASA-N 301.350 -0.020 30 20 DBED N#Cc1cnccc1N1C[C@H](O)[C@H](CNC(=O)c2cncnc2)C1 1067665274 LWCRIQGQMOTABT-HIFRSBDPSA-N 324.344 -0.030 30 20 DBED C=CCOCC(=O)N1CC2(C[C@H](NC(=O)c3ncc[nH]3)CO2)C1 1068849677 NRDPBCRDIRJXMP-NSHDSACASA-N 320.349 -0.288 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1COC2(C1)CN(C(=O)C1=COCCO1)C2 1069004704 YOKYRMUKALJSNR-QWRGUYRKSA-N 321.333 -0.480 30 20 DBED N#Cc1cnc(N[C@@H]2CCC[C@H]3CN(C(=O)C(N)=O)C[C@H]32)cn1 1069318510 HEWMIKKWTDLHJW-MVWJERBFSA-N 314.349 -0.127 30 20 DBED C=C(C)CN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H]2CCNC2=O)C1 1069996069 NZTGFGWICUPDRO-XQQFMLRXSA-N 318.381 -0.668 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC[C@@H](NC(=O)Cc2nc[nH]n2)C1 1070730561 LCXRKCUTTATMHT-VXGBXAGGSA-N 319.365 -0.507 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)c2cnns2)CC1 1070943155 CWLZPDYQYCPKEM-UHFFFAOYSA-N 307.379 -0.565 30 20 DBED C#CCCCC(=O)N[C@@H]1CCCN(C(=O)[C@H]2CN(C)C(=O)N2)C1 1071070950 WVQLPBNNBGIKAD-CHWSQXEVSA-N 320.393 -0.079 30 20 DBED C[C@@H]1CN(C(=O)Cn2cnnc2O)C[C@@]2(CCN(CC#N)C2)O1 1071149044 FVADNARNDUGREV-RISCZKNCSA-N 320.353 -0.801 30 20 DBED CN(C)[C@H](Cn1cccn1)C(=O)N1CC2(CCN(CC#N)C2)C1 1072813144 GGNMANGVUXFFJN-CQSZACIVSA-N 316.409 -0.129 30 20 DBED C#CCCN1CCC2(C1)CN(C(=O)CN1CCCNC1=O)C2 1072894695 CXEOPKMJNVKQQP-UHFFFAOYSA-N 304.394 -0.041 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)c2cc(=O)c(OC)c[nH]2)C1 1073697186 AQOUTUOHYAEBQT-GFCCVEGCSA-N 319.361 -0.163 30 20 DBED C#CCCN1CCCO[C@@H](CNC(=O)[C@H]2CN(CC)CCO2)C1 1073896633 WPPAEXNVHBUGDD-JKSUJKDBSA-N 323.437 -0.063 30 20 DBED C=CCCC(=O)NCC1(O)CCN(C(=O)CC(=O)NC)CC1 1074559858 CJMFISCUVQRCER-UHFFFAOYSA-N 311.382 -0.442 30 20 DBED C[C@@H](CCNC(=O)Cn1cnnn1)NC(=O)c1ccc(C#N)[nH]1 1075561251 VYPLDKWTDIXAMW-VIFPVBQESA-N 316.325 -0.802 30 20 DBED C#CCOCCC(=O)NCC[C@H](C)NC(=O)[C@H]1CCC(=O)N1 1076503870 AZVMWISOJRJZPK-NWDGAFQWSA-N 309.366 -0.684 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CN(CCn3cccn3)C[C@H]2O)c1 1076855675 HIWGXUXCNLXGQM-ZIAGYGMSSA-N 314.349 -0.442 30 20 DBED C=CCO[C@@H](C)C(=O)NCC[C@H](C)NC(=O)CNC(=O)OC 1077066104 HQOKCJZTUNRRFX-QWRGUYRKSA-N 315.370 -0.056 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2ccnc(-n3cccn3)c2)C1 1077655386 MXAMBVWNJZWOOC-CHWSQXEVSA-N 312.333 -0.434 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H](C)CCNC(=O)C1(C(N)=O)CC1 1078111873 SCSSIRFXZMYIIE-HZMBPMFUSA-N 311.382 -0.410 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(N(CC)C(=O)CNC(N)=O)C1 1079279306 CVJANVHBDIRVFT-CQSZACIVSA-N 312.370 -0.959 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)CN(C)C(C)=O)C1 1079345103 YHFCWFZEVYYZFT-LBPRGKRZSA-N 323.393 -0.438 30 20 DBED C#CCOCCC(=O)N1CC(N(CC)C(=O)CCNC(N)=O)C1 1079753142 LGUHDNMPJIIZLT-UHFFFAOYSA-N 324.381 -0.856 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)c2cnn[nH]2)C[C@H]1O 1081439168 MPZFIMGWRTYHAK-CMPLNLGQSA-N 305.338 -0.843 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cn(C)nn2)C1 1081452082 CZCULJFYUUKQHH-WCQYABFASA-N 319.365 -0.976 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)CC(C)(C)O)C[C@H]1O 1081462557 BRPKDSROGNNWSU-QWHCGFSZSA-N 310.394 -0.258 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)Cc2ncc[nH]2)C[C@H]1O 1081463880 TZLHZHUPBRGMPO-CHWSQXEVSA-N 318.377 -0.453 30 20 DBED Cc1n[nH]cc1C(=O)N1C[C@H](O)[C@H](CNC(=O)C#CC2CC2)C1 1081474332 PMQCCOQNFAPDGH-OCCSQVGLSA-N 316.361 -0.319 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2nc(C)c[nH]2)C1 1081519320 FZIYMLGAELTXGJ-VXGBXAGGSA-N 322.365 -0.530 30 20 DBED C=CCCC1(C(=O)NC[C@@H]2CN(C(=O)C(N)=O)C[C@H]2O)CC1 1081741707 KRGQLYGOQCADPK-GHMZBOCLSA-N 309.366 -0.846 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cncnc1O 1083115430 HVKYBSDUBJXVHI-QWHCGFSZSA-N 302.334 -0.269 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CCN(C)C(=O)C1 1083123492 GISVHKNMGBUTGI-HZSPNIEDSA-N 305.378 -0.600 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CCCN(C(N)=O)C1 1083136194 LBGGNGWNSNIXFT-MELADBBJSA-N 320.393 -0.678 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CCCCC(=O)N1 1083190236 FAOKIUFREZGLIA-QLFBSQMISA-N 319.405 -0.020 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)C(=O)N1CC[C@H](C)C1 1083244146 KNTMSCKZDAZEMT-MELADBBJSA-N 305.378 -0.600 30 20 DBED N#CCN[C@@H]1CCCCCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 1088428694 ZFRRVPMDZAKUOV-VXGBXAGGSA-N 314.411 -0.438 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)[C@H]1C 1088978952 MPVQKFJTQZGJER-ZJUUUORDSA-N 300.322 -0.757 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cn(C(C)(C)C)nn2)[C@@H](O)C1 1090315416 JHBKEGGOCQKHAO-AAEUAGOBSA-N 305.382 -0.169 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)Cn2ccc(O)nc2=O)[C@H](O)C1 1090405244 WLQFSODEEUBGJB-NWDGAFQWSA-N 322.365 -0.924 30 20 DBED CO[C@H](C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1O)C(C)C 1090535619 YXJPJTBTAJTWLM-GYSYKLTISA-N 319.365 -0.315 30 20 DBED CCc1c(C(=O)N[C@H]2CCN(CC#N)C[C@@H]2O)nnn1CC 1090568876 IMJPKTNFCGPAIB-JQWIXIFHSA-N 306.370 -0.451 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2cc(C)c(C(N)=O)cn2)[C@H](O)C1 1090571721 BQKDGIHLYSJZPP-TZMCWYRMSA-N 316.361 -0.713 30 20 DBED C#CCCN1CC(OC2CCN(C(=O)[C@H]3CNC(=O)N3)CC2)C1 1093566577 YBVABSLNIJOJAZ-CQSZACIVSA-N 320.393 -0.617 30 20 DBED C#CCN1CC(n2cc(CNC(=O)[C@@H]3C[C@@H]3C(=O)OC)nn2)C1 1094279234 DFFUBQZSHALHPV-OLZOCXBDSA-N 317.349 -0.807 30 20 DBED Cn1cnn(CC(=O)NCCCNc2ccc(C#N)nc2)c1=O 1094652070 RCPJYKLHQRQGIH-UHFFFAOYSA-N 315.337 -0.533 30 20 DBED C[C@@]1(C(=O)NCCCN=c2cc[nH]c(C#N)n2)CCC(=O)N1 1094765404 OWPZTWRGNBUBPR-AWEZNQCLSA-N 302.338 -0.643 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)c3[nH]nnc3C)CC2=O)C1 1094771560 JZRPFKHCZLCHBQ-SNVBAGLBSA-N 304.354 -0.686 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)Cn3ccc(C)n3)CC2=O)C1 1094787469 WQIKPROQVAACJB-ZDUSSCGKSA-N 315.377 -0.774 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)Cn3nccc3C)CC2=O)C1 1094791582 GXDZCIPKRUEZPO-CYBMUJFWSA-N 317.393 -0.221 30 20 DBED Cn1cc(C(=O)N2C[C@H]3C[C@@H](NCC#N)C[C@H]2C3)c(O)nc1=O 1095053403 BHKDKQGWVZGZKN-HBNTYKKESA-N 317.349 -0.408 30 20 DBED N#Cc1nccc(N2CC[C@@H](NC(=O)CO[C@H]3CCOC3)C2)n1 1096439029 BMIMCHQPPHCCNW-NEPJUHHUSA-N 317.349 -0.151 30 20 DBED CNC(=O)NCC(=O)NC[C@@H](N=c1cc[nH]cc1C#N)C1CC1 1096838270 YYMJHMQPLCPLMA-CYBMUJFWSA-N 316.365 -0.389 30 20 DBED C[C@H](CNC(=O)c1cc(C(N)=O)c[nH]1)N=c1cc[nH]c(C#N)n1 1098020327 GTMFMUFBMCKNFQ-MRVPVSSYSA-N 313.321 -0.572 30 20 DBED C=CCCN(CCO)C1CCN(C(=O)[C@@H]2CCNC2=O)CC1 1098448813 SODFEWWMNLUBTG-CQSZACIVSA-N 309.410 -0.016 30 20 DBED C[C@H](CCNC(=O)[C@@H]1CN(C)CCO1)Nc1cnc(C#N)cn1 1098999263 VWZIFNGLXRORQV-YPMHNXCESA-N 318.381 -0.014 30 20 DBED C[C@H](CCNC(=O)[C@H]1COC(=O)N1)Nc1ccc(C#N)nn1 1099078311 WGPKIRQPJKQLCD-PSASIEDQSA-N 304.310 -0.237 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2cc(F)c[nH]2)[C@@H](O)C1 1099922534 WMWACLQHXQECHA-OCCSQVGLSA-N 309.341 -0.031 30 20 DBED CC(C)=C(C)CC(=O)N[C@H]1CCN(CC(=O)NCC#N)C[C@H]1O 1099949102 MATJTXLPEFPCHD-UONOGXRCSA-N 322.409 -0.076 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CCCCC(=O)NC)[C@@H](O)C1 1100133636 DFXLTOKZIYSKAR-KGLIPLIRSA-N 309.410 -0.133 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)c2nonc2C)[C@@H](O)C1 1100136653 QDPRXDHBMWXMQW-RYUDHWBXSA-N 310.354 -0.254 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)C2=COCCC2)C1 1100169026 BVGWOEZWKXLTRJ-UHFFFAOYSA-N 305.378 -0.086 30 20 DBED CCN(CCNC(=O)Cn1cncn1)c1cncc(C#N)n1 1100529094 IRECLFZTBSBMIN-UHFFFAOYSA-N 300.326 -0.418 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)CN2CC[C@@H](C)C2)C1 1100678724 VFXKYXLRADPPFX-WLYUNCDWSA-N 320.437 -0.438 30 20 DBED CCN(CCNC(=O)[C@@H]1CCN(C)C1=O)c1ccc(C#N)nn1 1100681807 MITKRGWBGNWJJS-LBPRGKRZSA-N 316.365 -0.231 30 20 DBED CCN(CCNC(=O)[C@@H]1CN(C)C(=O)N1)c1cncc(C#N)n1 1100684769 WFWRDVAMMLPFTD-NSHDSACASA-N 317.353 -0.686 30 20 DBED CCN(CCNC(=O)[C@@H]1CN(C)C(=O)N1)c1cnc(C#N)cn1 1100696044 HMOUDGCJDDCYLF-NSHDSACASA-N 317.353 -0.686 30 20 DBED N#Cc1cccnc1N1CC[C@@H](CNC(=O)CNC(N)=O)C1 1100927276 CMFLDZVLVPMSLI-JTQLQIEISA-N 302.338 -0.436 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)[C@H](C)NC(C)=O)c3nccn32)C1 1101603736 DETNBOZILGLTKI-WCQYABFASA-N 315.377 -0.387 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1CNC(=O)C1=CCOCC1 1101902572 VQPAXWFHSVFEOY-TZMCWYRMSA-N 320.393 -0.343 30 20 DBED CN1C[C@H](C(=O)N(C)CCNc2ccc(C#N)nc2)NC1=O 1101903271 XHSBCRIKLDDLNQ-GFCCVEGCSA-N 302.338 -0.153 30 20 DBED CNC(=O)NCC(=O)N(C)[C@@H]1CCN(c2ccc(C#N)nn2)C1 1102767160 SXMBFOFZUGJKEK-LLVKDONJSA-N 317.353 -0.686 30 20 DBED CNC(=O)CC(=O)N[C@H]1CCCCN(c2cnc(C#N)cn2)C1 1102853816 DAOFTMZPNYZWAD-NSHDSACASA-N 316.365 -0.041 30 20 DBED CC[C@H](CNC(=O)[C@H]1CCCC(=O)N1)N=c1cc[nH]c(C#N)n1 1103231666 MXVJIPFCHBEJPU-GHMZBOCLSA-N 316.365 -0.254 30 20 DBED CC[C@H](CNC(=O)CNC(=O)NC)Nc1nccnc1C#N 1103352889 PWTNVGUXSAPGOT-SECBINFHSA-N 305.342 -0.416 30 20 DBED C=CCN1CC(OC2CCN(C(=O)[C@H](C)NC(N)=O)CC2)C1 1105703794 JTDCXAWVKIPGTC-NSHDSACASA-N 310.398 -0.079 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](O)CNC(=O)c2cnccn2)n1 1105705033 CNQTZLJUJWVLJJ-NSHDSACASA-N 313.321 -0.351 30 20 DBED Cc1nc(NC[C@H](O)CNC(=O)[C@@H](C)C#N)c2cnn(C)c2n1 1105770980 DWMAPAKKQHHDHS-WPRPVWTQSA-N 317.353 -0.280 30 20 DBED Cn1cc(CC(=O)NC[C@H](O)CNc2cnc(C#N)cn2)cn1 1105782902 RITHSQFWAFQFJM-GFCCVEGCSA-N 315.337 -0.787 30 20 DBED Cc1nc(C(=O)NC[C@@H](O)CNc2cnc(C#N)cn2)co1 1105799287 ZNAHCCBDNCWQDJ-JTQLQIEISA-N 302.294 -0.153 30 20 DBED C[C@H](C(=O)NC[C@@H](O)CNc1ccc(C#N)cn1)n1cncn1 1105828377 GKNXYDCXGIOHCP-PWSUYJOCSA-N 315.337 -0.305 30 20 DBED CC(C)[C@@H](C(=O)NC[C@@H](O)CNc1ccc(C#N)nn1)N(C)C 1105917589 KUPAQLBIVRIQJH-JSGCOSHPSA-N 320.397 -0.177 30 20 DBED C=CCN1CC(n2cc(CNC(=O)C[C@H](C)NC(N)=O)nn2)C1 1107172843 OKEXJAVTDWBHLI-JTQLQIEISA-N 321.385 -0.616 30 20 DBED C#CCN1CC(n2cc(CNC(=O)COCC(F)F)nn2)C1 1107189496 AWWCHPCMTUTMKE-UHFFFAOYSA-N 313.308 -0.334 30 20 DBED C#CCN1CC(n2cc(CNC(=O)CN3CC[C@H](C)C3)nn2)C1 1107211704 XMLBSMVNPICVRB-ZDUSSCGKSA-N 316.409 -0.274 30 20 DBED C[C@@]1(CNC(=O)C2CC=CC2)CN(CC(=O)NCC#N)CCO1 1107833430 HMINIBQORZSTBK-MRXNPFEDSA-N 320.393 -0.201 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)c2cccn(C)c2=O)C1 1108350524 XPRGINISFHUNAY-INIZCTEOSA-N 303.362 -0.161 30 20 DBED CC#CCN1CC(N2C[C@H](NC(=O)[C@H](C)OCC)CC2=O)C1 1108513135 BCOSVLQHHVDAHQ-QWHCGFSZSA-N 307.394 -0.164 30 20 DBED CC(C)(C)C(=O)C(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1 1108525649 OGGZCVYBEZHCDS-JTQLQIEISA-N 306.366 -0.474 30 20 DBED C#CCCN1CC(N2C[C@H](NC(=O)CC(C)(C)O)CC2=O)C1 1108540788 GLJMWAUMOVENFR-GFCCVEGCSA-N 307.394 -0.428 30 20 DBED COCC1(CC(=O)N[C@@H]2CC(=O)N(C3CN(CC#N)C3)C2)CC1 1108544597 GJUJRYUHQUTNHT-GFCCVEGCSA-N 320.393 -0.272 30 20 DBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H]1CCOC1 1109040604 XYAYFQABTSNUEJ-NDBYEHHHSA-N 306.366 -0.616 30 20 DBED C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NC(N)=O 1109070881 MXAKSHMKZRBSQA-VWYCJHECSA-N 310.354 -0.895 30 20 DBED N#Cc1cnc(NC[C@@H](NC(=O)CCNC(N)=O)C2CC2)cn1 1109850252 SBVXAFCEWPCGJF-LLVKDONJSA-N 317.353 -0.287 30 20 DBED C[C@@]1(NC(=O)CS(C)(=O)=O)CCN(c2ccnc(C#N)n2)C1 1110719245 SXDGFTNREPWQCS-CYBMUJFWSA-N 323.378 -0.522 30 20 DBED CNC(=O)CC(=O)N[C@@]1(C)CCN(c2nccnc2C#N)C1 1110745112 CGVWZGFCTYZONL-AWEZNQCLSA-N 302.338 -0.431 30 20 DBED COCCC(=O)N1CCO[C@H](CN=c2cc[nH]c(C#N)n2)C1 1111929730 QNMYEGOVXGNUFX-LLVKDONJSA-N 305.338 -0.554 30 20 DBED CC(=O)NCC(=O)N1C[C@@H](C)[C@@H](Nc2nccnc2C#N)C1 1112295145 FTTDQFHYAXMHAI-SKDRFNHKSA-N 302.338 -0.257 30 20 DBED CC(C)OCC(=O)NC[C@H]1CN(c2nccnc2C#N)C[C@H]1O 1112709277 HPGDIPLURRTNTG-WCQYABFASA-N 319.365 -0.313 30 20 DBED C[C@@H](NC(=O)Cn1cncn1)[C@@H](C)Nc1nccnc1C#N 1113031048 KCZGXRQJYSSGGF-NXEZZACHSA-N 300.326 -0.055 30 20 DBED CCN1CCOC[C@H]1C(=O)N1CCN(CC#CCOC)CC1 1113050491 OWPGLYCEIUNMIL-HNNXBMFYSA-N 309.410 -0.499 30 20 DBED C[C@@H](NC(=O)c1nnn(C)n1)[C@@H](C)Nc1cnc(C#N)cn1 1113258184 BFSWPHPQTKAYDB-HTQZYQBOSA-N 301.314 -0.509 30 20 DBED C[C@H](CNC(=O)c1nccnc1N)N(C)c1ccnc(C#N)n1 1113526070 NKUKIGLVOZNIMC-SECBINFHSA-N 312.337 -0.025 30 20 DBED C[C@H](CNC(=O)CN1CCOCC1)N(C)c1nccnc1C#N 1113558165 FELRNNPQRPTPRK-GFCCVEGCSA-N 318.381 -0.379 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)N(C)c1ccncc1C#N 1113801781 ADAGSBLTQSWKIN-JQWIXIFHSA-N 316.365 -0.082 30 20 DBED COCC#CCN1C[C@@H]2C(NC(=O)CCn3cccn3)[C@H]2C1 1113875708 DURWEMAJVWJDGK-KBPBESRZSA-N 302.378 -0.031 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)CSCCC)[C@H]2C1 1113950484 JATMMTOLJNCCTQ-RYUDHWBXSA-N 309.435 -0.075 30 20 DBED CCCn1nnnc1CN1C[C@H]2[C@H](NC(=O)[C@H](C)C#N)[C@H]2C1 1114067641 UXPDLPGLKQUWBX-DCQANWLSSA-N 303.370 -0.211 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)c3cn(C)c(O)n3)[C@@H]2C1 1114772875 VALOAKVMXJRQOE-GHMZBOCLSA-N 304.350 -0.565 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)c3ncccn3)[C@H]2C1 1114998842 WZLDLMJKLMMQKB-QWRGUYRKSA-N 301.350 -0.561 30 20 DBED C#CCN1C[C@H]2[C@H](NC(=O)C[C@@]3(C)CCS(=O)(=O)N3)[C@H]2C1 1115175865 DIMSUIGZUNYWDF-UVLXDEKHSA-N 311.407 -0.862 30 20 DBED CN(CCOCCNC(=O)c1nc[nH]n1)c1ccncc1C#N 1115226011 LNQSALRYDGUWSG-UHFFFAOYSA-N 315.337 -0.046 30 20 DBED Cc1cc(=O)n(C)cc1NC(=O)C(=O)N1CCO[C@H](C#N)C1 1116526066 QCLNSVNMJHKHEY-SNVBAGLBSA-N 304.306 -0.617 30 20 DBED C#CC1CCN(C(=O)C(=O)N2C[C@@](C)(CO)[C@@](C)(CO)C2)CC1 1118834148 ZTFGFKPAGYQYSV-CALCHBBNSA-N 322.405 -0.302 30 20 DBED Cc1nn[nH]c1C(=O)N(C)C[C@@H](C)N=c1cc[nH]c(C#N)n1 1120400955 YXQBUICDXIJDIB-MRVPVSSYSA-N 300.326 -0.231 30 20 DBED N#Cc1nccnc1N[C@H](CO)CNC(=O)Cn1cccn1 1121057121 ZVNYIGYSGJFQRH-JTQLQIEISA-N 301.310 -0.866 30 20 DBED CCc1cc(C(=O)NC[C@@H](CO)Nc2cncc(C#N)n2)n[nH]1 1121137128 UPRMDRZAOMCBKN-NSHDSACASA-N 315.337 -0.163 30 20 DBED Cn1cc(CC(=O)NC[C@@H](CO)Nc2ccc(C#N)nn2)cn1 1121190558 LWQPSPGPNCSJRK-LBPRGKRZSA-N 315.337 -0.787 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)[C@H]2CCCCO2)nn1 1121453740 DIQFELCIQXCPFV-NWDGAFQWSA-N 305.338 -0.194 30 20 DBED CO[C@H](C(=O)NC[C@H](CO)N=c1cc(C)[nH]cc1C#N)C1CC1 1121505180 KPJJIGCQIAWRKH-HIFRSBDPSA-N 318.377 -0.002 30 20 DBED C#CCNC1CC2(C1)CC(NC(=O)[C@H](C)NS(C)(=O)=O)C2 1121829249 QYRZTAPBGPEWSZ-ZZIMEFBRSA-N 313.423 -0.426 30 20 DBED CCCN(C)CCC(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1 1121837572 BTZSZMNASKXOQP-LBPRGKRZSA-N 320.397 -0.609 30 20 DBED Cc1conc1C(=O)NC[C@@H](CO)N=c1cc[nH]cc1C#N 1121977866 VZILJMBVPBSEIF-NSHDSACASA-N 301.306 -0.126 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)CCc2ccon2)nn1 1122234705 IRBZWADYXRILAP-LBPRGKRZSA-N 316.321 -0.142 30 20 DBED Cc1nn[nH]c1C(=O)NC[C@@H](CO)Nc1ccc(C#N)nc1 1122384696 FXNGOBFEDPXUGQ-NSHDSACASA-N 301.310 -0.417 30 20 DBED C[C@@H]1CCN(CC(=O)NC[C@H](CO)Nc2cncc(C#N)n2)C1 1122526861 MSHIOSCYFUTVMH-DGCLKSJQSA-N 318.381 -0.421 30 20 DBED CN(C)C(=O)CC(=O)NC[C@@H](CO)Nc1ncccc1C#N 1122629898 PZKNMINDUUZFLL-NSHDSACASA-N 305.338 -0.679 30 20 DBED Cn1ccnc1C(=O)[C@H](C#N)C(=O)CCN1C(=O)CCC1=O 1122632137 QFISBKIODNXABB-SECBINFHSA-N 302.290 -0.149 30 20 DBED CCOCCC(=O)N(C)C[C@H](O)CN=c1cc[nH]c(C#N)n1 1124191275 LQIHGDFIYSRJJC-LLVKDONJSA-N 307.354 -0.572 30 20 DBED CN(C[C@@H](O)CNc1ccc(C#N)cn1)C(=O)Cc1nc[nH]n1 1124499129 RNFOYJVRGOFYMO-NSHDSACASA-N 315.337 -0.455 30 20 DBED C#CCNC(=O)CC(=O)NCCNCc1cc2n(n1)CCC2 1125998426 QYLQRPSSPITXQV-UHFFFAOYSA-N 303.366 -0.825 30 20 DBED COCCN(CCNC(=O)CC(N)=O)c1ccc(C#N)c(C)n1 1126255436 VIYXOUFJLGJJOW-UHFFFAOYSA-N 319.365 -0.294 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cc(C(C)C)n(C)n1 1126990268 RDWFWQYTGLAXBS-UHFFFAOYSA-N 305.382 -0.388 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)[C@H](C)c1ccnn1C 1127588540 DVRVDHNGAFWZTK-NEPJUHHUSA-N 307.398 -0.080 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@H](F)CN(CC)CC 1128543457 DFGZJOJJZLMNSI-CHWSQXEVSA-N 314.405 -0.490 30 20 DBED CO[C@H](C(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1)C1CC1 1128944967 MFUVKQOBKPNXDT-AGIUHOORSA-N 304.354 -0.432 30 20 DBED C=CCCO[C@H](C)C(=O)N1C[C@H](n2ccnn2)[C@H](NCCO)C1 1129656274 NILWTXILUISOCC-MCIONIFRSA-N 323.397 -0.407 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCN[C@@H](C)c1n[nH]c(C)n1 1129771031 ODCPAUKCJVGXEC-AAEUAGOBSA-N 304.398 -0.022 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)C[C@@H]2CCC(=O)N2C)C1=O 1132256942 GLMLRPPXEXHTGV-STQMWFEESA-N 322.409 -0.510 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)c1nnn(C)c1C 1133994737 WJKPQEBTOZOVEM-QWRGUYRKSA-N 320.397 -0.641 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)C[C@@H](C)NCc1n[nH]c(C)n1 1134131019 PLAFEUIGNIWFHJ-MNOVXSKESA-N 320.397 -0.374 30 20 DBED C#CCOCCC(=O)N[C@H](C)C[C@@H](C)NCc1nnnn1C 1134373072 QVHPDJXCTCASIY-VXGBXAGGSA-N 308.386 -0.377 30 20 DBED Cc1nc[nH]c1C(=O)N[C@H](C)C[C@H](C)NCC(=O)NCC#N 1146814190 PHKYRWJULAHCIO-VHSXEESVSA-N 306.370 -0.156 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC2(CN(C(=O)[C@H](C)OC)C2)C1 1147080154 WTAMCFHHPQCSIR-STQMWFEESA-N 307.394 -0.307 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC2(CCN([C@H](C)C(=O)NC)C2)C1 1147422534 PWKRCRIQTJGFLO-IUODEOHRSA-N 309.410 -0.018 30 20 DBED C#CCOCCC(=O)N1CC2(CCN(CC(=O)N3CCC3)C2)C1 1147530682 PSDPBHPELWZXRO-UHFFFAOYSA-N 319.405 -0.207 30 20 DBED COCC(C)(C)C(=O)N1CC2(CCN(CC(=O)NCC#N)C2)C1 1147939149 OETZONDDXYQXNS-UHFFFAOYSA-N 322.409 -0.167 30 20 DBED C=CCOCCNCCNC(=O)c1ccc(C(=O)NC)nc1 1148174130 ZNNMJIUJDAWLII-UHFFFAOYSA-N 306.366 -0.037 30 20 DBED C[C@@H](C(=O)NC[C@H]1CN(CC#N)CCCO1)N1C(=O)CCC1=O 1149817103 LVTLCFDSDDIBOK-RYUDHWBXSA-N 322.365 -0.745 30 20 DBED N#Cc1ccc(CNCCNC(=O)c2nccnc2C(N)=O)cc1 1150450891 XSFDCHJMLMJBLR-UHFFFAOYSA-N 324.344 -0.033 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)[C@@H]1CCCCN1C 1154033850 OZCLLIGOAMRMDF-KGLIPLIRSA-N 323.441 -0.063 30 20 DBED O=C(C#CC1CC1)NCCCNC[C@H](O)CN1C(=O)CCC1=O 1157682616 LASHKVZTENJRKL-ZDUSSCGKSA-N 321.377 -0.994 30 20 DBED CCNC(=O)NC(=O)CNCCCNC(=O)C#CC(C)(C)C 1157718676 FRQJKLVBMAJRAJ-UHFFFAOYSA-N 310.398 -0.023 30 20 DBED C=CCNC(=O)CNCC1(CCNC(=O)[C@@H]2CCC(=O)N2)CC1 1167783695 CWZOTFJXCAKXJA-LBPRGKRZSA-N 322.409 -0.557 30 20 DBED CC#CCN1CCO[C@H]2CCN(C(=O)COCCOC)C[C@H]21 1176969952 QNDFKPBJXHDHTI-CABCVRRESA-N 310.394 -0.026 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)[C@H]1CCC(=O)N(C)C1 1177025138 BVDKUTQBXBBHFL-STQMWFEESA-N 324.425 -0.359 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)[C@H]1CCCN1C(C)=O 1177147347 ITXUUBUFCUGDPD-TZMCWYRMSA-N 324.425 -0.216 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@@H](C)c1cnn(C)c1 1177673191 VOAAGXWTVCEQIS-LBPRGKRZSA-N 307.398 -0.078 30 20 DBED C#CCNC[C@H]1C[C@H]2CC[C@H]1N(C(=O)CS(=O)(=O)NC)C2 1177946535 GFRQBTSGJUTJQF-JHJVBQTASA-N 313.423 -0.615 30 20 DBED C[C@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)[C@@H]1CCCCN1C 1179337749 WEIGFEIJENCMPP-IHRRRGAJSA-N 321.425 -0.311 30 20 DBED C#CCN[C@H]1CCN(C(=O)CCNC(=O)[C@@H]2CCCO2)[C@H]1C 1180295340 LVDRRQVKWVMTQX-IHRRRGAJSA-N 307.394 -0.116 30 20 DBED CC#CCNC[C@]1(C)CN(C(=O)CN2CC(=O)NC2=O)C[C@H]1C 1182910718 MEOXKWZYGDYCDU-MLGOLLRUSA-N 320.393 -0.364 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)Cc2ccc(F)cn2)C1 1183700550 IAULFCFGWXQRLT-CQSZACIVSA-N 318.352 -0.297 30 20 DBED COCC#CCNC[C@@H]1CCN(C(=O)c2nnn(C)n2)C[C@H]1C 1184956810 TUWLQFSATZCCQR-OLZOCXBDSA-N 320.397 -0.452 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@@H](NCC(=O)NC(N)=O)C2)nc1 1187207897 JZWFHNVBJRFZCY-LLVKDONJSA-N 315.333 -0.938 30 20 DBED N#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2cccs2)C1 1190750647 MEMCCSITDPYZIS-NXEZZACHSA-N 308.363 -0.837 30 20 DBED C=CCN(CC=C)C(=O)CN(C)[C@@H]1CCN(C(=O)C(N)=O)C1 1192084020 TWRUSDKMIMXPEE-GFCCVEGCSA-N 308.382 -0.795 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)Cn2ccc(C)n2)C1 1192406340 GFUWATPCFYMNOZ-AWEZNQCLSA-N 317.393 -0.526 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)CCCn2ccnn2)C1 1193678276 SHHRDQLKTUQXGC-VXGBXAGGSA-N 313.789 -0.028 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)c2coc(C(N)=O)c2)C1 1194932324 RHRAWSNFMOMUCG-VXGBXAGGSA-N 323.349 -0.644 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)C2(CF)CC2)C1 1196097874 RCOJQGWMNXRCFM-QJPTWQEYSA-N 313.373 -0.412 30 20 DBED COCC#CCN1CCCN(C(=O)c2c[nH]c(C(N)=O)c2)CC1 1198113070 KMSAKNJJUMHTOO-UHFFFAOYSA-N 318.377 -0.089 30 20 DBED N#CCNC[C@@H]1CN(C(=O)Cn2cc(C3CC3)nn2)CCCO1 1200687637 DPTFDDLMHFABRY-CYBMUJFWSA-N 318.381 -0.114 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCC(NC[C@H](O)COC)CC1 1201094117 ODLWLSUPEYEOPJ-HOTGVXAUSA-N 323.437 -0.328 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)[C@@H](C)OCC=C)CC1 1204029465 YKPCPNLSLFXYLR-CYBMUJFWSA-N 307.394 -0.093 30 20 DBED C#CCCNCC1CCN(C(=O)c2cn(C)c(=O)nc2O)CC1 1206925321 XISLVHZOANSDER-UHFFFAOYSA-N 318.377 -0.049 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCCN(C(=O)C2=COCCO2)C1 1207152520 ZCMDUJIPZIDBAV-QWHCGFSZSA-N 321.377 -0.407 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)c2cnn[nH]2)[C@H](C)C1 1207857902 WAYHCZLBZRSYKF-CKYFFXLPSA-N 306.370 -0.455 30 20 DBED C#CCOCCC(=O)N1CCC[C@H](NCCS(C)(=O)=O)C1 1208031730 CSIHHPMDIWMSAC-ZDUSSCGKSA-N 316.423 -0.349 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)c2n[nH]cc2F)C1 1209502972 DRNZCZNGWDOSSC-JTQLQIEISA-N 307.329 -0.508 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@]2(C)CCNC2=O)C1 1209614734 QAENAYKWXQTXQS-MLGOLLRUSA-N 322.409 -0.605 30 20 DBED CNC(=O)C1(C(=O)N2C[C@@H](NCC#CCOC)[C@H](C)C2)CCC1 1216507396 XOBFTBSJIYXLJD-ZIAGYGMSSA-N 321.421 -0.011 30 20 DBED C#CCNC(=O)CC(=O)N1CCO[C@@H]2CN(CC3CC3)C[C@@H]21 1217684635 SCFINWONQBRPQJ-UONOGXRCSA-N 305.378 -0.553 30 20 DBED C=CCCO[C@H](C)C(=O)N[C@@H]1CN(CC(=O)N(C)C)C[C@@H]1O 1219324027 CQOHQBFKPCGGLF-UPJWGTAASA-N 313.398 -0.783 30 20 DBED C[C@@H]1CO[C@@H](C(=O)NCC2CCN(CC(=O)NCC#N)CC2)C1 1223855286 VIRYYXQMABDFJE-GXTWGEPZSA-N 322.409 -0.121 30 20 DBED N#CCNC(=O)CN1CCC(CNC(=O)CN2CCCC2)CC1 1225435572 LPVHCOCPKZOKEP-UHFFFAOYSA-N 321.425 -0.450 30 20 DBED C#CCO[C@H](C)C(=O)NC1CCN(Cc2nncn2C)CC1 1227299584 VBRXQJYWRSIHJK-GFCCVEGCSA-N 305.382 -0.066 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)C(C)(C)NC(C)=O)CC1 1229634502 YIJLAZWYHAUJSE-UHFFFAOYSA-N 322.409 -0.769 30 20 DBED Cc1nnsc1C(=O)N(C)C[C@H]1CCN1CC(=O)NCC#N 1230715130 QZIDAJZQFUWGSI-SNVBAGLBSA-N 322.394 -0.367 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)NCc1cccn(CC)c1=O 1261198058 CFSOQKLBHGHGGX-UHFFFAOYSA-N 313.357 -0.031 30 20 DBED C#CC1CCN(C(=O)C(=O)NCCS(=O)(=O)CC=C)CC1 1261472542 PHALHIFYRXZGKA-UHFFFAOYSA-N 312.391 -0.425 30 20 DBED C[C@@H]1c2nncn2CCN1C(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1261487060 MQMAHPDJDICFFG-YGRLFVJLSA-N 318.337 -0.942 30 20 DBED CNC(=O)[C@H](C#N)C(=O)c1cc(S(=O)(=O)N(C)C)cn1C 1263292227 YPPLSDNRWKAOIN-SECBINFHSA-N 312.351 -0.656 30 20 DBED C=C(C)CCN1CC[C@@H](NC(=O)C[C@H](NC(C)=O)C(N)=O)C1 1267749698 NDWOTYBLPJZBBD-OLZOCXBDSA-N 310.398 -0.477 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)c2cccc(O)n2)C1 1318320792 MBNVDJOOBKQRKJ-LLVKDONJSA-N 302.334 -0.659 30 20 DBED Cn1c(C=NNC2CCOCC2)nc2c1c(O)nc(=O)n2C 1319243060 HLDSPBZLQPNOQV-UHFFFAOYSA-N 306.326 -0.525 30 20 DBED C=C(C)CN1CCC(NC(=O)C(=O)N[C@@H]2CCN(C)C2=O)CC1 1322608235 SJSDTTPPJHUGPJ-CYBMUJFWSA-N 322.409 -0.510 30 20 DBED CN(C)[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CCO[C@H](C#N)C1 1322953846 AXVGKZWMFVJIII-JHJVBQTASA-N 308.382 -0.274 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CC(=O)N(CC(F)(F)F)C1 1323587639 MASWDVOCXQPOFG-MRVPVSSYSA-N 323.271 -0.506 30 20 DBED CN1C[C@@H](C(=O)NCC(=O)NCC#N)c2ccccc2C1=O 1323750937 IRGPNZMVTIAWJU-GFCCVEGCSA-N 300.318 -0.388 30 20 DBED C#CCSCCNC(=O)C(=O)NCCNC(=O)C(C)(C)C 1329161836 MDOYWFTUZAWQCJ-UHFFFAOYSA-N 313.423 -0.253 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCC[C@H](N)C2)C1=O 1333458041 ZDQSWEXRIRLXFX-XQQFMLRXSA-N 322.409 -0.382 30 20 DBED C#CCSCCn1nnnc1N(C)[C@H]1CCS(=O)(=O)C1 1337200930 AXXIPEAJKZMBJA-JTQLQIEISA-N 315.424 -0.337 30 20 DBED CC(C)OCCCNC(=O)[C@H](C#N)C(=O)CS(C)(=O)=O 1342537867 NHWOKYLCSJVXOV-SNVBAGLBSA-N 304.368 -0.329 30 20 DBED COCCNC(=O)[C@H](C#N)C(=O)c1ccc(=O)n(CCOC)c1 1347077326 WMAHOPLIAMQEOL-GFCCVEGCSA-N 321.333 -0.420 30 20 DBED N#Cc1cn(CC(=O)N2CCSC[C@H]2CCO)c(=O)nc1O 1362152548 MSNRPMZYHAEONA-SNVBAGLBSA-N 324.362 -0.853 30 20 DBED CN(C)c1nc(N)nc(C(=O)NCC2(C#N)CCOCC2)n1 1363687757 CNLMGUBJXLWINN-UHFFFAOYSA-N 305.342 -0.430 30 20 DBED CC(C)(CC#N)CS(=O)(=O)NCCN1CCCS1(=O)=O 1363770929 YADUKHVOCYFDNQ-UHFFFAOYSA-N 323.440 -0.119 30 20 DBED CNS(=O)(=O)NC1CCN(C(=O)NC[C@@H](C)C#N)CC1 1364259091 GEILBHQCPBNHMT-VIFPVBQESA-N 303.388 -0.626 30 20 DBED C[C@@H](CNC(=O)[C@@H](C)C#N)NC(=O)c1ccc(C(N)=O)nc1 1377767491 AVDUODVTMNNGEW-IUCAKERBSA-N 303.322 -0.425 30 20 DBED CNC(=O)NCC(=O)N1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 1385160125 MNEMJGBHLXHJNB-SNVBAGLBSA-N 318.337 -0.854 30 20 DBED CC1=NO[C@@](C)(C(=O)NCCn2cc(C#N)c(O)nc2=O)C1 1418535896 GMUOAMFBSWLRTO-CYBMUJFWSA-N 305.294 -0.508 30 20 DBED C=C(Cl)CNC[C@@H](O)CNC(=O)[C@@H]1CCCCS1(=O)=O 1420138590 LNQOQWBBRKBXSY-MNOVXSKESA-N 324.830 -0.227 30 20 DBED CC[C@@H](C(N)=O)N1CC[C@](O)(CNC(=O)c2cc(C#N)c[nH]2)C1 1421352700 KIWDIJDJBDRENR-WFASDCNBSA-N 319.365 -0.683 30 20 DBED C[C@@H](CN(C)C(=O)c1cnnn1C)NC(=O)c1ccc(C#N)[nH]1 1427538836 LMVCUNZWNHAIMG-VIFPVBQESA-N 315.337 -0.095 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)COc2ccccc2)C1 1428936374 JVMOYHRLXRNMCM-BNOWGMLFSA-N 317.345 -0.087 30 20 DBED N#C[C@@H]1CN(C(=O)Nc2[nH]nnc2C(=O)N2CCCC2)CCO1 1434731617 JGJUWGQOMSZVPE-SECBINFHSA-N 319.325 -0.203 30 20 DBED C=C(Cl)CNC1(CNC(=O)CN(C)S(C)(=O)=O)CC1 1439607906 RMHMOEXFZCTPLV-UHFFFAOYSA-N 309.819 -0.131 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC(NC(=O)CCc3nc[nH]n3)C2)c1 1498144366 RIHYMKDBACDEQU-UHFFFAOYSA-N 313.321 -0.422 30 20 DBED CCCC[C@H](NC(N)=O)C(=O)N1CC(NC(=O)[C@H](C)C#N)C1 1498384080 SBKNUAPSORHRKG-KOLCDFICSA-N 309.370 -0.300 30 20 DBED CS(=O)(=O)CC1(C(=O)N2CCC(F)(C#N)CC2)COC1 1548704245 YAIUBJORDWGHBE-UHFFFAOYSA-N 304.343 -0.098 30 20 DBED C#C[C@@H]1COCCN1C(=O)c1nc(O)c(-c2nn[nH]n2)cc1C 1573278918 ADRVDQAKZATIJJ-SECBINFHSA-N 314.305 -0.250 30 20 DBED C=CCCC[C@@H](NC(=O)[C@@H](C)NC(=O)Cn1cnnn1)C(=O)O 1573357366 LZWZFCOFCQZZDW-NXEZZACHSA-N 324.341 -0.897 30 20 DBED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2C[C@@H](N)C2)cc1 1574736209 VPMHNVATBZQYDD-TXEJJXNPSA-N 307.375 -0.182 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@H]2CCN(CCc3cnn[nH]3)C[C@H]21 1575013491 PUPZLWDTMXJAEG-UMVBOHGHSA-N 317.393 -0.082 30 20 DBED C#CCN(CC(=O)O)C(=O)NCCS(=O)(=O)NC(C)(C)C 1588408212 BATPRKOGLTWOMJ-UHFFFAOYSA-N 319.383 -0.566 30 20 DBED C=C(C)C[C@@H](NC(=O)c1cn(CC(=O)O)nn1)C(=O)OCC 1588441008 BTBOMBVIXZMEHK-SECBINFHSA-N 310.310 -0.010 30 20 DBED C=C(C)C[C@@H](CO)NC(=O)C1(C(=O)O)CCS(=O)(=O)CC1 1588442613 TWJNVYZBOHWTGN-JTQLQIEISA-N 319.379 -0.291 30 20 DBED CSC[C@@](C)(C#N)NC(=O)[C@@H](C)n1cnc(-c2nn[nH]n2)n1 1591691545 CVWAWTWLDVQTMN-RDDDGLTNSA-N 321.370 -0.219 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)NC1(C(=O)O)CCOCC1 1592222067 QXEFWFQVMHLMJL-VIFPVBQESA-N 305.356 -0.311 30 20 DBED N#Cc1nc(N[C@H]2CC[C@@H](O)[C@@H](O)C2)cnc1-c1nn[nH]n1 1592708067 RVNBRQIEFPRBAY-ZQARSLAVSA-N 302.298 -0.785 30 20 DBED CCN(CCNC(=O)[C@H]1C[C@H]1C(=O)O)C(=O)CSCC#N 1596333139 NIEUJJDTJDJZBN-VHSXEESVSA-N 313.379 -0.071 30 20 DBED C#CC[C@@H](NC(=O)[C@@H](CO)NC(=O)OC(C)(C)C)C(=O)O 1602692343 LUBKJAZDRJVLBY-RKDXNWHRSA-N 300.311 -0.535 30 20 DBED C#CCCS(=O)(=O)NC(=O)c1cc(C)c(-c2nn[nH]n2)cn1 1602713873 BHTNGPPBORZVNZ-UHFFFAOYSA-N 320.334 -0.347 30 20 DBED C#CCN(C)CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cn1 1602716745 OCVWWVOFVQYUTJ-UHFFFAOYSA-N 306.351 -0.400 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCC2(CC1)C[C@H]2C(=O)O 1602727628 BWWLEIYDOKJHBV-NSHDSACASA-N 308.334 -0.534 30 20 DBED C#CC[C@@H](NC(=O)c1ccc(-c2nn[nH]n2)c(C)n1)C(=O)OC 1609020249 WANQTPIIYCHVDG-LLVKDONJSA-N 314.305 -0.135 30 20 DBED C#CC[C@@H](NC(=O)CNC(=O)COc1ccccc1)C(=O)O 1609078729 FNYKTFZUQAZKKY-GFCCVEGCSA-N 304.302 -0.226 30 20 DBED C[C@@H](CN1CCN(C)CC1)NC(=O)N1CC[C@@](O)(CC#N)C1 1645861588 IWYNTQUEVHADQF-ZFWWWQNUSA-N 309.414 -0.318 30 20 DBED CC(=O)N1CCN(C(=O)COC(=O)C2(C#N)CCOCC2)CC1 1649722640 BQXADPPECHTPRK-UHFFFAOYSA-N 323.349 -0.459 30 20 DBED C=CCN1CC[C@H](N[C@H](CNC(=O)CNC(C)=O)C2CC2)C1=O 1752445128 OASXUCMAGQAQFR-UONOGXRCSA-N 322.409 -0.606 30 20 DBED CN(CC#N)C[C@H]1CCCN(C(=O)c2nnc(O)nc2O)C1 1752512149 BJBUNESWVNAKRK-SECBINFHSA-N 306.326 -0.410 30 20 DBED C=CCn1cc(C(=O)NC[C@@H](C)NCc2cnnn2CC)nn1 1752902566 DXBIQYPQKRXGOQ-LLVKDONJSA-N 318.385 -0.016 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@H]1CCN(CCN2CCNC2=O)C1 1753123135 SBTJSRRSAZVJPO-XJKSGUPXSA-N 324.425 -0.223 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@@H](N(CCC)C(=O)CC(N)=O)C1 1753315306 XGGOCVNHDMWTJR-CHWSQXEVSA-N 322.409 -0.687 30 20 DBED C#CCCN1CCN(CCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1753341549 AUMXTVMEWLDSLF-ZIAGYGMSSA-N 308.382 -0.249 30 20 DBED COCCOC[C@@H](O)CN1CC(CNC(=O)C#CC2CC2)C1 1753401578 KRDSYWVADAKZCG-HNNXBMFYSA-N 310.394 -0.528 30 20 DBED N#CCNCC[C@H]1CCCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 1753558002 XEUIBWZWKJJXOK-MNOVXSKESA-N 307.354 -0.674 30 20 DBED C#CCNC(=O)[C@H](C)NCCN(CC)C(=O)C[C@H]1CCC(=O)N1 1754077359 PTYDWQLCESVKSN-QWHCGFSZSA-N 322.409 -0.769 30 20 DBED N#CCNC(=O)CNC/C=C\CNC(=O)c1ccnc(F)c1 1754100379 SVFTVSHOSNWQSM-UPHRSURJSA-N 305.313 -0.264 30 20 DBED C=CCn1cc(C(=O)N[C@H](C)CNCc2cn(CC)nn2)nn1 1754244209 PVQPPFQYBGMUAX-LLVKDONJSA-N 318.385 -0.016 30 20 DBED COCC#CCNC[C@H](C)NC(=O)Cn1c(C)cc(C)nc1=O 1754288647 ZJTPZAJYXLRSMK-ZDUSSCGKSA-N 320.393 -0.396 30 20 DBED CC1(C(=O)NCC2(NCC(=O)NCC#N)CCOCC2)CC1 1754736366 JDTMCBDHUZYKMQ-UHFFFAOYSA-N 308.382 -0.319 30 20 DBED C=CCNC1CCN(CCNC(=O)[C@H]2CCN(C)C2=O)CC1 1754850484 JQKIOAKLYDQKBV-CQSZACIVSA-N 308.426 -0.179 30 20 DBED CC#CCNCC[C@@H]1CCN(C(=O)CN2CCOCC2=O)C1 1754918531 GPXNVSDGBVBYCS-CQSZACIVSA-N 307.394 -0.303 30 20 DBED Cn1cc(CC(=O)NCC2(NCC(=O)NCC#N)CCC2)cn1 1754978309 AAPRDYGKQNWULE-UHFFFAOYSA-N 318.381 -0.769 30 20 DBED Cc1nc(C)n(CCNC[C@@H]2CN(C(=O)[C@@H](C)C#N)CCO2)n1 1754995906 JLWGASWWIWJSMY-SMDDNHRTSA-N 320.397 -0.128 30 20 DBED C#CCN1CCC(CO)(NC(=O)c2cc(CN(C)C)on2)CC1 1755178602 KSAPEZJYPIRNKT-UHFFFAOYSA-N 320.393 -0.074 30 20 DBED N#CCNC(=O)CNCC1CC(NC(=O)c2csc(O)n2)C1 1755215932 HGTHPQWRBYXFJF-UHFFFAOYSA-N 323.378 -0.414 30 20 DBED CNC(=O)NC(=O)[C@H](C)N(C)[C@@H](C)CNC(=O)C#CC1CC1 1755299843 HJWACQNDUPUEGB-QWRGUYRKSA-N 308.382 -0.320 30 20 DBED C=CCOCC(=O)NC1(CCO)CN(Cc2nonc2C)C1 1755330929 XILIAYNMEQLXHN-UHFFFAOYSA-N 310.354 -0.366 30 20 DBED COCCOC[C@H](O)CN1CC([C@H](C)NC(=O)C#CC2CC2)C1 1755375037 VLOQLQREXOMETH-XJKSGUPXSA-N 324.421 -0.140 30 20 DBED C=CCOCC(=O)N1CC[C@@H](NCCN2CCNC2=O)[C@@H]1C 1755651738 JKPXXWUFLDQHGO-QWHCGFSZSA-N 310.398 -0.207 30 20 DBED C#CCNC(=O)CC(=O)N(C)[C@H](C)CNC(=O)C[C@@H](C)OC 1756009583 RBSNPRNVWAOAFH-VXGBXAGGSA-N 311.382 -0.486 30 20 DBED C[C@@H](CN(C)C(=O)C#CC(C)(C)C)NC(=O)Cn1cnnn1 1756451351 XAOWXSLSQZPWGY-NSHDSACASA-N 306.370 -0.314 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C[C@@H](C)NC(=O)c1ccc(O)nn1 1756453705 UFCJTJOIJQJGAL-MNOVXSKESA-N 320.349 -0.203 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@H](CO)NC(=O)c1ccc(O)nc1 1756515877 QTVZXIHUMVHGMV-IAQYHMDHSA-N 323.349 -0.679 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H](CO)CNC(=O)/C=C/c1ccc[nH]1 1756516278 YYTPASCDBBZXNP-WQYAIIHGSA-N 319.361 -0.341 30 20 DBED CCN(CC)CC(=O)NC[C@@H](O)CN(C)C(=O)C#CC1CC1 1756662409 LHQWMRCNFALFKC-CQSZACIVSA-N 309.410 -0.323 30 20 DBED C=CCCCC(=O)N(C)C[C@H](O)CNC(=O)[C@H]1COCCO1 1756675666 BXWKKYHCBWUWNI-CHWSQXEVSA-N 314.382 -0.306 30 20 DBED C=CCCC(=O)N[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1O 1756984577 CSIDZYCSEAMLPP-BFHYXJOUSA-N 309.410 -0.018 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)n1cncn1)CCO2 1783053517 IDPFHFGMLHLAQY-IUODEOHRSA-N 317.349 -0.698 30 20 DBED CCOCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC#N)C2 1801494645 SDACYINIKYOZGZ-JJLQDPRZSA-N 309.366 -0.084 30 20 DBED N#CCCC(=O)N1CCCC2(CCN(C(=O)C(O)O)CC2)C1 1809508017 UKPLNXVRTCLAHJ-UHFFFAOYSA-N 309.366 -0.168 30 20 DBED Cc1ncc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C#CC(=O)O)[nH]1 1847910019 CKSMVFIKRUXFME-RYUDHWBXSA-N 316.317 -0.378 30 20 DBED CS(=O)(=O)NCCNC[C@H](O)COc1ccc(C#N)cc1 37891251 MAWQYTBGHSSRDL-LBPRGKRZSA-N 313.379 -0.563 30 20 DBED C=CC[C@H](NC(=O)[C@@H]1CCCCN1S(C)(=O)=O)C(=O)O 159552999 MUHYJBHIDGPBCA-UWVGGRQHSA-N 304.368 -0.054 30 20 DBED CN(CCC#N)S(=O)(=O)N1CCNC[C@H]1c1nccn1C 262028261 NSFBWPDUBHRVQW-NSHDSACASA-N 312.399 -0.543 30 20 DBED N#CCN1CCN(C(=O)CNC(=O)c2cccc(O)c2)CC1 275188231 ZDIQCZNITDUJHA-UHFFFAOYSA-N 302.334 -0.210 30 20 DBED N#Cc1ncccc1S(=O)(=O)NC[C@H](CO)[C@@H]1CCOC1 281048460 RWGRBEUAQZHVEV-GHMZBOCLSA-N 311.363 -0.123 30 20 DBED CN1CC[C@]2(CCN(c3c(C#N)c(=O)n(C)c(=O)n3C)C2)C1 292348491 QPYLIEGMMNKKQK-HNNXBMFYSA-N 303.366 -0.512 30 20 DBED C#CCN(C)CCCNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 293914845 GJEPPANXQNWHPN-CQSZACIVSA-N 308.426 -0.532 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@H](C)OC[C@@H]2CC)C1=O 299694609 MWBVKADPZOPLKR-QWRGUYRKSA-N 323.349 -0.011 30 20 DBED Cn1c(N2CCC(n3cccn3)CC2)c(C#N)c(=O)n(C)c1=O 301118094 VDZZTOHGUCAZFY-UHFFFAOYSA-N 314.349 -0.006 30 20 DBED N#C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C(=O)N3CCOCC3)O2)CCO1 329276964 KOZDYXBWFKTWOS-UPJWGTAASA-N 323.349 -0.856 30 20 DBED CCN1CCOC[C@@H]1C(=O)N1CC[C@@H](N/C(O)=N/C2CC2)C1 329441723 BLFIKLGXYIWNSN-CHWSQXEVSA-N 310.398 -0.026 30 20 DBED CC(C)CNC(=O)[C@@H]1CSCN1C(=O)Cn1cnc(C#N)n1 331120935 AXRPBRIWQQSFRR-JTQLQIEISA-N 322.394 -0.177 30 20 DBED C[C@H](N/C(O)=N/CCN1CCN(C)C(C)(C)C1)C(=O)N(C)C 331299011 OETIQPZBYNDHKV-LBPRGKRZSA-N 313.446 -0.007 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)NCc2ccn3ccnc3c2)CCO1 336955358 YJFOVZKQFCNJHD-GFCCVEGCSA-N 321.362 -0.107 30 20 DBED C=CC[C@@H](CO)CNC(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 341826983 TZCMXIQZKIZLNZ-VXGBXAGGSA-N 319.427 -0.106 30 20 DBED CN(C)C(=O)NCCN(C)S(=O)(=O)c1ccc(C#N)nc1 352310656 MKPDWQDKGRFLME-UHFFFAOYSA-N 311.367 -0.155 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N(C[C@H](O)CO)C(C)C 420760868 GMWCNRHHUDKRQY-RYUDHWBXSA-N 307.416 -0.224 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@H](N)[C@H](C)C2)C1=O 429126760 IPIODLRZUBHXRQ-NXEZZACHSA-N 308.338 -0.841 30 20 DBED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NCCCNC(C)=O 430385246 IHHCEFQETDUIJF-QWHCGFSZSA-N 311.382 -0.274 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCC[C@H](C(=O)N2CCNCC2)C1 430665897 NOCJEMGFUOHFMS-KGLIPLIRSA-N 308.426 -0.179 30 20 DBED C=CCC[C@H](CO)NC(=O)NCCC(=O)N1CCN(C)CC1 457672498 OYLXCWNHGXGERL-CYBMUJFWSA-N 312.414 -0.223 30 20 DBED C#CCN1CCN(C(=O)CN2CC[C@@H](C)C[C@@H]2C(N)=O)CC1 491047761 VSPDWTCTRHEHII-ZIAGYGMSSA-N 306.410 -0.650 30 20 DBED C#CCN1CCN(C(=O)CN2C(=O)N[C@H](C(C)(C)C)C2=O)CC1 491748997 FOAYDIUKNOQSCZ-ZDUSSCGKSA-N 320.393 -0.270 30 20 DBED COC(=O)c1cncc(C(=O)NCCn2cnc(C#N)n2)c1 557655961 BEJRXWYSKRABAR-UHFFFAOYSA-N 300.278 -0.239 30 20 DBED C[C@H](O)CN1CCN(C(=O)C(=O)Nc2cccc(C#N)n2)CC1 571205120 PYVROEQZCVSRQS-NSHDSACASA-N 317.349 -0.583 30 20 DBED COC(=O)[C@H]1COCCN1Cc1cnc2c(C#N)cnn2c1 572405373 APEYGNXXEPGNBC-GFCCVEGCSA-N 301.306 -0.025 30 20 DBED Cn1nnc2c1CC[C@H](NS(=O)(=O)c1cccnc1C#N)C2 594480037 YYDLDZLTTWDVDM-VIFPVBQESA-N 318.362 -0.082 30 20 DBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H]1CCNC1=O 597373274 CINCCJUBXPLKPW-GHMZBOCLSA-N 314.349 -0.479 30 20 DBED COC(=O)c1cnn(CC(=O)Nc2ccn(CCC#N)n2)c1 599532295 GMLWRUQVWQEWSZ-UHFFFAOYSA-N 302.294 0.419 30 20 DBED C=C[C@H](O)C(=O)N1CCOC[C@@H]1c1noc(-c2cnn(C)c2)n1 613368275 UZEYKFVZGMMPEK-MNOVXSKESA-N 319.321 -0.083 30 20 DBED CC#CC[C@@H](CO)NC(=O)C(=O)Nc1ccc2nc(C)nn2c1 646950872 NYINKBIGCVJQIE-LBPRGKRZSA-N 315.333 -0.133 30 20 DBED C=CCOCCNC(=O)c1nc(N2CCOCC2)nc(=N)[nH]1 651693323 JZIKNEITMLTBBQ-UHFFFAOYSA-N 308.342 -0.947 30 20 DBED C=CC[C@H](NS(=O)(=O)c1ccc(-n2cnnn2)cc1)C(=O)O 681558069 KXQMXGKPHQELCW-NSHDSACASA-N 323.334 -0.030 30 20 DBED CNC(=O)CNC(=S)NN=C1C(=O)Nc2cc(O)ccc21 731928588 FMRNLTMTHUMNTN-UHFFFAOYSA-N 307.335 -0.742 30 20 DBED CC1CC(C#N)(C(=O)NCCS(=O)(=O)N2CCOCC2)C1 757638218 ISLJJZBWVPTMOW-UHFFFAOYSA-N 315.395 -0.296 30 20 DBED C#CCOCCNC(=O)c1ccc(=O)n(-c2cnn(C)c2)c1 760650730 WMZCQXVEVKZANY-UHFFFAOYSA-N 300.318 -0.049 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N1CC(=O)N(C)C[C@@H]1C 782604330 YGPVAWJLIBDSBT-JTQLQIEISA-N 303.384 -0.541 30 20 DBED C#CCOCCC(=O)NS(=O)(=O)[C@@H](C)[C@H](C)C(=O)OC 788039390 GZCJRQSJUAXAHJ-UWVGGRQHSA-N 305.352 -0.330 30 20 DBED C=CCOC[C@@H]1NC(=O)N(CCS(=O)(=O)CC2CC2)C1=O 804180954 XARNOGRMUZIVSC-NSHDSACASA-N 316.379 -0.066 30 20 DBED C#CC[C@@H](CO)NC(=O)c1cc(S(=O)(=O)NC)oc1C 816673003 PBBCYYUFDQRICI-VIFPVBQESA-N 300.336 -0.390 30 20 DBED N#Cc1ccc(NC(=O)C(=O)N2CCO[C@@H](C(=O)O)C2)c(F)c1 819100681 ZXODTSPBDONFRU-LLVKDONJSA-N 321.264 -0.052 30 20 DBED O=C(Cn1cnc2sccc2c1=O)N[C@@H]1CCCN(O)C1=O 820476005 FMEGXOAQZZXVOQ-SECBINFHSA-N 322.346 -0.046 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1CCC([C@@H](O)C(=O)O)CC1 833376543 GOSBYFUXGJRMHN-GXSJLCMTSA-N 313.354 -0.456 30 20 DBED C#CCC[C@@H](C)OC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 839034090 MBKWFEJXNADANP-SNVBAGLBSA-N 318.333 -0.221 30 20 DBED C#CCNS(=O)(=O)N1CCN(Cc2ccc(C#N)cn2)CC1 846836940 JKJLFWOGQRGWAW-UHFFFAOYSA-N 319.390 -0.462 30 20 DBED C#CCOCCNC(=O)C(=O)Nc1ccn(C(C)(C)C(=O)O)n1 850787412 XHRTVXOUJUYXJP-UHFFFAOYSA-N 322.321 -0.593 30 20 DBED N#Cc1ccc(F)c(C(=O)NCCOCCS(N)(=O)=O)c1 854432654 AOSUSHSNFQEQQC-UHFFFAOYSA-N 315.326 -0.268 30 20 DBED C#CC[C@@H](CO)NC(=O)c1ccc(F)c(S(N)(=O)=O)c1 854546934 NSZNUAJVVBAZMI-VIFPVBQESA-N 300.311 -0.413 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)Cn2cncc2C)CC1 859226376 XWNYJLHCZFDAQI-UHFFFAOYSA-N 317.393 -0.525 30 20 DBED C#CCOc1ccccc1NC(=O)C(=O)N[C@H]1COC[C@H]1O 873977914 UJDBNCNHAFLMCO-NWDGAFQWSA-N 304.302 -0.487 30 20 DBED C#CCN1CCN(C(=O)c2cccc(-n3[nH]nnc3=N)c2)CC1 874467800 VMNYVGVSCTVLGT-UHFFFAOYSA-N 311.349 -0.534 30 20 DBED C#CC1(O)CN(C(=O)NCC(=O)N2CCc3ccccc3C2)C1 892674532 XCVULWNXJQWPHG-UHFFFAOYSA-N 313.357 -0.039 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2cc(CC)on2)CC1 896151149 DAZSIUZGUZRASN-UHFFFAOYSA-N 304.350 -0.256 30 20 DBED C#CCN1CCC[C@H](NC(=O)[C@@H]2CCc3nnnn3CC2)C1 923553777 BOKCLIPJOURXKR-OLZOCXBDSA-N 302.382 -0.161 30 20 DBED C[C@@H]1C[C@H](NC(=O)NCC#CCO)C(=O)N1c1cnn(C)c1 923777359 IPUBWZDLCBGSDW-PWSUYJOCSA-N 305.338 -0.791 30 20 DBED C[C@H](C(=O)N[C@H]1CCN(C(=O)C#CC2CC2)C1)n1cncn1 937848823 MQUNBCLRVJLLDF-YPMHNXCESA-N 301.350 -0.030 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](NC(=O)CC2CS(=O)(=O)C2)C1 938204584 LUWNVSASFQSIDM-KOLCDFICSA-N 313.379 -0.702 30 20 DBED C#Cc1cncc(C(=O)N[C@H]2CCN(C(=O)c3cnnn3C)C2)c1 938703281 WNDHDHNBWCYAKM-ZDUSSCGKSA-N 324.344 -0.164 30 20 DBED Cc1c(C(=O)NC[C@@H]2CN(C(=O)[C@@H](C)C#N)CCO2)nnn1C 944531690 XHUZVKWNJXBUGJ-GXSJLCMTSA-N 320.353 -0.760 30 20 DBED C#CCN1CC[C@H](NC(=O)c2nccnc2C(N)=O)[C@H](C)C1 944812006 ROPLSBALWZEHFQ-MNOVXSKESA-N 301.350 -0.351 30 20 DBED N#Cc1cc(C(=O)N2CC[C@@H]3[C@H](CCN3C(=O)C(N)=O)C2)c[nH]1 945929643 YBTPNDKYMXNTBB-BXKDBHETSA-N 315.333 -0.565 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@H]3CN(C(=O)C(N)=O)CC[C@H]32)[nH]1 946025032 LYLGCVJVRXAULC-JOYOIKCWSA-N 315.333 -0.565 30 20 DBED C[C@@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)c1nnn(C)n1)CC2 952592285 UVFIWGFAFKXRPW-DCAQKATOSA-N 317.353 -0.425 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2cn(CCOC)nc2C)C1 958064109 RVGDBIDCSDCBAA-UKRRQHHQSA-N 320.393 -0.506 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2ccn(CCN(C)C)n2)C1 958076362 DVJSNQSIWVQUCV-HIFRSBDPSA-N 319.409 -0.900 30 20 DBED CC#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cnc3[nH]nnc3c2)C1 958149423 SDFZTBPMFGKIHJ-WCQYABFASA-N 314.349 -0.601 30 20 DBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C 958347011 DODHZSIDKRUISH-XQHKEYJVSA-N 323.393 -0.194 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](CNC(=O)c2cn(C)c(O)n2)C1 958378189 HSCNTUIWMBDABX-MWLCHTKSSA-N 314.773 -0.099 30 20 DBED C=CCN1C[C@@H](O)[C@@H](CNC(=O)c2ccc3nnc(O)n3c2)C1 958476700 OHEYXMOKBNXSOU-NWDGAFQWSA-N 317.349 -0.357 30 20 DBED N#CCN1C[C@@H]2C(NC(=O)C3CC4(C3)CS(=O)(=O)C4)[C@H]2C1 960547392 KNHQKDHVJITCNL-QWRGUYRKSA-N 309.391 -0.619 30 20 DBED Cc1nc(C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2O)co1 962466158 WHWIXFPTWOWQIJ-YPMHNXCESA-N 303.318 -0.302 30 20 DBED COCCn1cc(C(=O)N2CC[C@@H](NCC#N)C2)ccc1=O 969187476 QBWNFIRKRUABEL-CYBMUJFWSA-N 304.350 -0.178 30 20 DBED CC#CCN1CCO[C@]2(CCN(C(=O)[C@@H]3CCCNC3=O)C2)C1 972420356 SUYQGGQHXDBQSQ-RHSMWYFYSA-N 319.405 -0.161 30 20 DBED CN1C[C@H](C(=O)NC[C@H]2CCN(C(=O)C#CC3CC3)C2)NC1=O 982740670 ZDTHAUHIHVCHBA-CHWSQXEVSA-N 318.377 -0.612 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)[C@H]1CCCN(C(=O)C(N)=O)C1 984589385 UBBJFDZZRIZLNZ-STQMWFEESA-N 320.393 -0.981 30 20 DBED C=CCn1cc(C(=O)NC2CN(C(=O)CN3CCCC3)C2)nn1 991677620 RNKQDRLOXVNJGI-UHFFFAOYSA-N 318.381 -0.500 30 20 DBED C=C(Cl)CN[C@@H]1CCCN(C(=O)CN2CCNC(=O)C2)C1 999887264 XUKPEIFCHYOILK-GFCCVEGCSA-N 314.817 -0.249 30 20 DBED COCC(=O)N1CCNC(=O)CCN(C(=O)C#CC2CC2)CC1 1001746170 QOZQDDFWFZFCJU-UHFFFAOYSA-N 321.377 -0.777 30 20 DBED C[C@@H](C#N)C(=O)N1CC([C@H](C)NC(=O)c2cncnc2O)C1 1006299160 MMDQUGVZRFTRLB-IUCAKERBSA-N 303.322 -0.081 30 20 DBED C=CCN1CCC[C@@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 1008893429 SMPAGIICMJQEEL-LLVKDONJSA-N 316.365 -0.162 30 20 DBED NC(=O)c1ccc(C(=O)N2CCN(C(=O)C#CC3CC3)CC2)[nH]1 1011110404 YAMAZKPRASKJAW-UHFFFAOYSA-N 314.345 -0.189 30 20 DBED C#Cc1ccc(C(=O)NC2[C@H]3CN(C(=O)CC(N)=O)C[C@H]23)nc1 1013508477 MDDJNLKMLUGTEA-QWRGUYRKSA-N 312.329 -0.875 30 20 DBED Cn1cc(C(=O)N[C@@H]2CC23CCN(CC#N)CC3)ncc1=O 1016740344 GQHVANRPECOSNS-GFCCVEGCSA-N 301.350 -0.112 30 20 DBED C#Cc1cncc(C(=O)N2CCC3(CN(C(=O)C(N)=O)C3)C2)c1 1019356144 DYYCUNCZYZBLGJ-UHFFFAOYSA-N 312.329 -0.777 30 20 DBED C=CCN1CC[C@H](N[C@H]2C[C@H](NC(=O)Cc3ncc[nH]3)C2)C1=O 1020818868 HGZSDICUFPKZOP-AVGNSLFASA-N 317.393 -0.024 30 20 DBED C[C@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1O 1025113601 WZBUKJUWKIYJFK-LOHPEHISSA-N 302.334 -0.156 30 20 DBED C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2cn(C)c(=O)nc2O)C1 1025619854 ZWQAYQYUWXWMNR-NWDGAFQWSA-N 318.377 -0.051 30 20 DBED C#CCN(C)[C@@H]1CCCN(C(=O)c2cnc(O)n(C)c2=O)C1 1027518726 ZJTFNKYPDPWORB-LLVKDONJSA-N 304.350 -0.345 30 20 DBED N#Cc1cc(C(=O)NC2CN(CCN3C(=O)CCC3=O)C2)c[nH]1 1030236169 MLUBLHFNIUMGJM-UHFFFAOYSA-N 315.333 -0.551 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)c3cn(C)nn3)C2)C1=O 1030276900 YJVAKNMRGDELPJ-LBPRGKRZSA-N 304.354 -0.984 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)c3cn(CC)nn3)C2)C1=O 1031162421 RHPBRDRMPHMSRS-CYBMUJFWSA-N 318.381 -0.501 30 20 DBED C#CCN1CCCC[C@H](NC(=O)c2cnc(O)n(C)c2=O)C1 1034345995 XCRMJOFXNADTCN-NSHDSACASA-N 304.350 -0.297 30 20 DBED C=C(C)CN1C[C@H]2C[C@H]1[C@H]2NC(=O)CN1CCCS1(=O)=O 1037425362 KPNAJBNMQMWVQM-DYEKYZERSA-N 313.423 -0.213 30 20 DBED N#CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1ccc(-n2cnnn2)cn1 1037522648 JIZIMIHMJMUQRF-JIMOISOXSA-N 310.321 -0.617 30 20 DBED C#CCCN1CC[C@H]1CNC(=O)c1ccc(S(N)(=O)=O)o1 1038453404 YTVUQNYGKDPRHI-JTQLQIEISA-N 311.363 -0.246 30 20 DBED COCCCC(=O)N1CC[C@@](O)(CNC(=O)C#CC2CC2)C1 1039677455 ITVVZBVUSOQQMJ-MRXNPFEDSA-N 308.378 -0.094 30 20 DBED C[C@H]1CN(C(=O)CC(N)=O)CC[C@H]1CN=c1cc[nH]c(C#N)n1 1040397776 ABUCATNNORXOQY-QWRGUYRKSA-N 316.365 -0.458 30 20 DBED Cc1ccnn1CC(=O)N1CC[C@@](O)(CNC(=O)[C@@H](C)C#N)C1 1040760854 AHSXADYRURLAPR-XHDPSFHLSA-N 319.365 -0.569 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)COCC2CC2)C1 1041645754 KURMDZALKFNISP-UHFFFAOYSA-N 308.378 -0.094 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)C(=O)C(C)(C)C)C1 1042159029 MLIMKVGGNXSMJY-NSHDSACASA-N 324.377 -0.671 30 20 DBED CN(C(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1)C1CN(CC#N)C1 1042718599 GQVLJLDPXMAYPV-JTQLQIEISA-N 302.338 -0.571 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)C3=COCCC3)C2)nn1 1043876155 VDWJVGXVXODKJH-OLZOCXBDSA-N 315.333 -0.292 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)CCc2cnccn2)C1 1045546952 SXTPPDJYJVONCA-LLVKDONJSA-N 317.349 -0.742 30 20 DBED CCO[C@@H](C(=O)N1CC(O)(CNC(=O)[C@@H](C)C#N)C1)C1CC1 1045551724 LGNQGBMGBCQBDE-CMPLNLGQSA-N 309.366 -0.349 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)[C@@H](COC)OC)C1 1046236910 NAKGFDYSOMTHIJ-GFCCVEGCSA-N 312.366 -0.859 30 20 DBED N#CCN1C[C@H]2C[C@@H](NC(=O)CN3C(=O)CCC3=O)C[C@H]1C2 1047195383 IVHWVNOHNYYNFS-QJPTWQEYSA-N 304.350 -0.372 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC(=O)N(CC(C)C)C2)C1 1047401582 XYVMWIWRUKODNS-KKUMJFAQSA-N 321.421 -0.372 30 20 DBED Cc1nc(C(=O)N(C)[C@H]2CN(CC#N)C[C@@H]2O)c(=O)[nH]c1C 1047423390 NHADVISLUCVEDY-QWRGUYRKSA-N 305.338 -0.973 30 20 DBED CN(C(=O)[C@@H]1C[C@H]1c1ccnn1C)[C@H]1CN(CC#N)C[C@@H]1O 1047466644 SOWABVUHOHAGLP-RFHZTLPTSA-N 303.366 -0.449 30 20 DBED C=CCO[C@@H](C)C(=O)N(C)[C@H]1CN(C(=O)[C@@H](C)OC)C[C@@H]1O 1049010666 FSBIZEQOWXRHKT-VOAKCMCISA-N 314.382 -0.358 30 20 DBED C=CCO[C@H](C)C(=O)N(C)[C@H]1CN(C(=O)c2cnn[nH]2)C[C@@H]1O 1049011253 QAYMKHMLBZZCEJ-USWWRNFRSA-N 323.353 -0.961 30 20 DBED N#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H]1NC(=O)NC1=O 1049526431 HWXAWWKAWSBYMG-GARJFASQSA-N 305.338 -0.827 30 20 DBED N#CCN1CCOC[C@H]1CNC(=O)[C@@H]1CCCCS1(=O)=O 1050953630 IYQDXAVRLAAHMY-NEPJUHHUSA-N 315.395 -0.706 30 20 DBED C#CCN1CC2(C1)CN(C(=O)c1coc(C(N)=O)c1)CCO2 1053359666 RDYDTYFCHOZJJS-UHFFFAOYSA-N 303.318 -0.462 30 20 DBED C=CCn1cc(C(=O)N[C@H]2COC3(C2)CN(CCOC)C3)nn1 1053950099 UTXVMJRFNWIRCJ-GFCCVEGCSA-N 321.381 -0.316 30 20 DBED Cc1cc(C#N)nc(N2C[C@@H]3CCC[C@]3(NC(=O)C(N)=O)C2)n1 1055573769 XHZCPLZCBWAJNM-BONVTDFDSA-N 314.349 -0.383 30 20 DBED C[C@H](C#N)C(=O)NCCN1CCC(NC(=O)c2cnn[nH]2)CC1 1055631870 LZUCNNMRTSAXOB-SNVBAGLBSA-N 319.369 -0.725 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@@](CO)(NC(=O)CCC)C1 1055710680 OLTMSCYCYKUEAP-MRXNPFEDSA-N 323.393 -0.604 30 20 DBED N#Cc1nccnc1N1CCN(C(=O)[C@H]2COC(=O)N2)CC1 1055785497 KJZAYUNWMRRFGO-SNVBAGLBSA-N 302.294 -0.895 30 20 DBED N#Cc1cncc(N2CCN(C(=O)C3(C(N)=O)CC3)CC2)n1 1055999208 ZVUSLLXJMDABKQ-UHFFFAOYSA-N 300.322 -0.738 30 20 DBED C=C1CC(C)(C(=O)N2CCC[C@@](CO)(NC(=O)C(N)=O)C2)C1 1056089115 KQDXIWBTMYATKH-OAHLLOKOSA-N 309.366 -0.702 30 20 DBED N#CCSCC(=O)N(CCO)CCNC(=O)c1cc[nH]c1 1057030595 YBHPTCSJPLHXAY-UHFFFAOYSA-N 310.379 -0.178 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)[C@@H](CC)NC(C)=O 1057172475 FWFBGCRIBLAHKH-CYBMUJFWSA-N 313.398 -0.196 30 20 DBED C=C[C@](C)(O)CC(=O)N(CCO)CCNC(=O)COCC 1057450550 TVXVNGSZWHLXRZ-AWEZNQCLSA-N 302.371 -0.713 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)CCn1ccnn1 1057517023 IFGCJKRNUXDHHP-UHFFFAOYSA-N 321.381 -0.735 30 20 DBED C#CCOCCC(=O)N(CCO)CCNC(=O)CC(C)(C)O 1057580662 FPJHHRTZKJJSGG-UHFFFAOYSA-N 314.382 -0.876 30 20 DBED C#CCN1CCC(C(=O)N(CCO)CCNC(=O)C(C)C)CC1 1057860956 BHIZEGHAXPUJOD-UHFFFAOYSA-N 323.437 -0.075 30 20 DBED N#Cc1nccnc1N1CCC[C@H](NC(=O)[C@@H]2COC(=O)N2)C1 1058152205 MFPGBJLWOZVORX-ONGXEEELSA-N 316.321 -0.458 30 20 DBED COc1nc(C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N)co1 1058179685 JTLHMQYUBFWRQD-VIFPVBQESA-N 310.310 -0.606 30 20 DBED CN1CCOC[C@@H]1C(=O)N[C@H]1C[C@@H](Nc2nccnc2C#N)C1 1059598111 TUHDQVKNEODLBW-NTZNESFSSA-N 316.365 -0.262 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@H](CCNC(=O)CC(N)=O)C1 1059645762 ICCJSDRXGMSRPU-RYUDHWBXSA-N 309.366 -0.745 30 20 DBED N#Cc1nc(=NC[C@@H]2CCN(C(=O)C3(C(N)=O)CC3)C2)cc[nH]1 1060967902 RVKHQKBOMQZGPM-JTQLQIEISA-N 314.349 -0.704 30 20 DBED C#CCOCCC(=O)NC[C@H]1COCCN1C(=O)c1ccon1 1061581580 RPLVOQNYOKTKGS-LBPRGKRZSA-N 321.333 -0.328 30 20 DBED C=CCCC(=O)N1CCOC[C@@H]1CNC(=O)C[C@@H]1CCC(=O)N1 1061699724 QNYBSGZSAYCVPZ-STQMWFEESA-N 323.393 -0.035 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)c1ccn(C)n1 1061852464 IPORMCMUKPPTKJ-GHMZBOCLSA-N 305.338 -0.463 30 20 DBED C[C@H](Nc1nccnc1C#N)C1CCN(C(=O)C(N)=O)CC1 1061875325 SVYFGCBJBFVLKP-VIFPVBQESA-N 302.338 -0.127 30 20 DBED N#Cc1nccnc1N1[C@H]2CC[C@H]1CN(C(=O)Cc1nc[nH]n1)C2 1061988995 CGVJTSDKMNYLKM-QWRGUYRKSA-N 324.348 -0.111 30 20 DBED N#Cc1ccc(NC[C@@H]2CCCN2C(=O)[C@@H]2CCNC2=O)nn1 1064983636 DWLFZJLAVAFCJO-NWDGAFQWSA-N 314.349 -0.113 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCO[C@@H](CNC(=O)c2cocn2)C1 1065096282 BYUFOOZHHCFATE-XHDPSFHLSA-N 323.349 -0.041 30 20 DBED C[C@]1(CN=c2cc[nH]c(C#N)n2)CCN(C(=O)c2nc[nH]n2)C1 1065442713 HVTZAUKDZFDHGB-CQSZACIVSA-N 312.337 -0.147 30 20 DBED Cc1nccn1CC(=O)NC[C@@H]1CN(C(=O)[C@@H](C)C#N)CCO1 1065556351 GRMJSQSJQOATBI-WCQYABFASA-N 319.365 -0.305 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H]1C[C@H](NC(=O)[C@H]2CCC(=O)N2)C1 1068460859 XZDTXNMCGWPBHH-MPKXVKKWSA-N 313.361 -0.040 30 20 DBED C=C(C)C[C@H](C)C(=O)N1CC2(CC[C@@H](CNC(=O)C(N)=O)O2)C1 1068618182 NICXLBNLTLMEHF-RYUDHWBXSA-N 323.393 -0.050 30 20 DBED N#Cc1ccc(N[C@@H]2CCC[C@@H]3CN(C(=O)C(N)=O)C[C@@H]32)nn1 1069319525 WFASCHIITZUFTH-ADEWGFFLSA-N 314.349 -0.127 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)Cc2cnoc2)C1 1070006236 LELRXSJSRDKQCG-OLZOCXBDSA-N 300.322 -0.517 30 20 DBED C=CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2cnn(C)n2)C1 1070052792 LQUWHXQDUPFABF-OLZOCXBDSA-N 316.369 -0.362 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2cn(C)nc2C)C[C@@H]1n1ccnn1 1070160852 IZFAFSYIGCUVSS-KGLIPLIRSA-N 313.365 -0.391 30 20 DBED C=C[C@@H](C)[C@H](C)C(=O)NC1(CNC(=O)C(N)=O)CCOCC1 1070205058 DDSQVECCYCDXSY-MNOVXSKESA-N 311.382 -0.289 30 20 DBED C#Cc1ccc(C(=O)N2C[C@H](n3ccnn3)[C@H](NCC#N)C2)nc1 1070312260 HPLDTPZXNXBGOS-CABCVRRESA-N 321.344 -0.167 30 20 DBED C=CCN1C[C@H]2C[C@H]3CN(C(=O)Cn4cnnc4O)C[C@@]3(C1)O2 1070785321 QUYZOSCCBJNURH-YWPYICTPSA-N 319.365 -0.529 30 20 DBED C=CCN1C[C@H]2C[C@H]3CN(C(=O)[C@H]4COCCN4C)C[C@@]3(C1)O2 1070790491 YJZLVKOVDVUJFE-KLZNWCGWSA-N 321.421 -0.195 30 20 DBED C#CCCN1CCNC(=O)CCN(C(=O)c2cocn2)CC1 1070945889 FDEHIZBHSBHSSR-UHFFFAOYSA-N 304.350 -0.038 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)c2cccnn2)CC1 1071009522 WDAMZKLJDCYETP-UHFFFAOYSA-N 303.366 -0.073 30 20 DBED CC#CCN1C[C@H](NC(=O)CN2CC(=O)NC2=O)CC[C@@H]1C 1071901796 XGCUKDLCKVXJML-NWDGAFQWSA-N 306.366 -0.469 30 20 DBED CNC(=O)CC(=O)N[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1C 1071925112 GXHOIGXRJAXPTE-CABZTGNLSA-N 317.349 -0.401 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1C 1072014951 WPKIDOVEKBPGOK-GHMZBOCLSA-N 307.354 -0.406 30 20 DBED CC#CCN1CCCO[C@H](CNC(=O)[C@@H]2CC(=O)N(C)C2)C1 1073630068 MFGSHMQLVUQLGF-ZIAGYGMSSA-N 307.394 -0.305 30 20 DBED CC(C)C#CC(=O)N1CC[C@@H](NC(=O)Cn2cnnn2)[C@H](C)C1 1073692694 PWPAOZNTQATVHJ-CHWSQXEVSA-N 318.381 -0.314 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)c3cnnc(O)c3)C[C@H]21 1074270044 AOPCXUABYOWTDN-CHWSQXEVSA-N 302.334 -0.269 30 20 DBED C=CCN1CCO[C@H]2CCN(C(=O)c3nnc(O)nc3O)C[C@@H]21 1074285904 JHVIOZXMGVPDKQ-UWVGGRQHSA-N 321.337 -0.616 30 20 DBED O=C(NCC1(O)CCN(C(=O)C#CC2CC2)CC1)[C@@H]1CCOC1 1074581093 JDKSUPKHYMTZAT-CQSZACIVSA-N 320.389 -0.094 30 20 DBED C=CCOCC(=O)N[C@@H](C)CCNC(=O)C1(NC(N)=O)CC1 1076204545 NBRHBKYZFBYVED-JTQLQIEISA-N 312.370 -0.599 30 20 DBED C[C@@H](CCNC(=O)[C@@H](C)C#N)NC(=O)CCN1CCOCC1 1078130465 DBOYKCFODXJIGB-STQMWFEESA-N 310.398 -0.121 30 20 DBED C[C@@H]1CN([C@H]2CCNC2=O)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 1079543898 YLMKBYGMCFCBJX-WQAKAFBOSA-N 301.350 -0.175 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(N(CC)C(=O)Cn2ncnn2)C1 1079829478 MYNAJAAXPKNTAA-AWEZNQCLSA-N 322.369 -0.941 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)c2ccnnc2)C[C@H]1O 1081338955 YRLIXSWTSLXUPB-CHWSQXEVSA-N 304.350 -0.008 30 20 DBED CC#CCN1C[C@@H](NC(=O)c2cc(C(N)=O)cn2C)[C@H](OC)C1 1081902121 DMYKIDRITKDCQL-TZMCWYRMSA-N 318.377 -0.424 30 20 DBED CC#CCN1C[C@@H](NC(=O)[C@H]2COCCN2C(C)=O)[C@H](OC)C1 1082377401 OIQBPDAZYLQLLK-RBSFLKMASA-N 323.393 -0.928 30 20 DBED C[C@@H]1CN(C(=O)[C@H](Cn2cccn2)N(C)C)C[C@H]1NCC#N 1082558184 CWUQUQKVRIWBFA-MCIONIFRSA-N 304.398 -0.227 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCCN2C(=O)C(C)(C)C)C1 1083483559 YXCGTFBCVAZMOH-MCIONIFRSA-N 321.421 -0.182 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@H]2COCCN2CCCC)C1 1083670660 INDZYPRVZIOQNA-KFWWJZLASA-N 309.410 -0.718 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CC(=O)N(CCC)C2)C1 1083820773 DUBANWMRKLINDM-MCIONIFRSA-N 307.394 -0.571 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CN(CC)CCO2)C1 1084078171 PBCFUDJYEYZOER-ILXRZTDVSA-N 311.426 -0.165 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@@H](C)c2c(C)nn(C)c2C)C1 1084121575 LIWMUQLXSPDUFG-GDLCADMTSA-N 304.394 -0.065 30 20 DBED C=CCN1CC[C@@H]2CN(C(=O)[C@@H]3CCN(C)S3(=O)=O)[C@@H]2C1 1084715054 LVJYKKBYJHRPHF-UPJWGTAASA-N 313.423 -0.261 30 20 DBED C#CCN1CC[C@H](NC(=O)Cn2nc(C)n(C)c2=O)[C@H]1CC 1087814104 XSXQOXQVFAUFPT-QWHCGFSZSA-N 305.382 -0.507 30 20 DBED CC1(C)C[C@H](NC(=O)CN2CCOCC2=O)CCN(CC#N)C1 1089408167 BOAUNRPNFSMSOR-CYBMUJFWSA-N 322.409 -0.024 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2cnc(N(C)C)cn2)[C@@H](O)C1 1090269995 VGQODGUPQHZDSQ-OCCSQVGLSA-N 317.393 -0.269 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2nc(C)c(C)[nH]c2=O)[C@H](O)C1 1090356800 YYBVAHXWLZVBJX-CHWSQXEVSA-N 318.377 -0.425 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2ccc3nnc(C)n3c2)[C@H](O)C1 1090377335 IWKLHLWGZLZUOL-ZIAGYGMSSA-N 313.361 -0.164 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2cc3ncccn3n2)[C@H](O)C1 1090660219 OZVMSNGLOLISAZ-TZMCWYRMSA-N 313.361 -0.082 30 20 DBED C#Cc1ccccc1CC(=O)N[C@@H]1CCN(CC(N)=O)C[C@@H]1O 1090763831 MLTBFEBYQWEDOG-CABCVRRESA-N 315.373 -0.753 30 20 DBED COCCCC(=O)N[C@@H]1CCN(c2cncc(C#N)n2)C[C@H]1O 1092137327 LKXYXXAKTDIWHZ-CHWSQXEVSA-N 319.365 -0.169 30 20 DBED CN(C)CCC(=O)N[C@@H]1CCN(c2ccncc2C#N)C[C@@H]1O 1092174097 QWVYAWRQEMREMV-HIFRSBDPSA-N 317.393 -0.039 30 20 DBED C=CCN1CC(OC2CCN(C(=O)[C@H]3CN(C)C(=O)N3)CC2)C1 1093560925 RSHRTOJBTPULCY-CQSZACIVSA-N 322.409 -0.112 30 20 DBED CN1CC[C@H](CC(=O)NCCNc2cncc(C#N)n2)C1=O 1093961268 WJQLWBKFLTXWAK-SNVBAGLBSA-N 302.338 -0.255 30 20 DBED C#CCN1CC(n2cc(CNC(=O)[C@@H]3CCO[C@H]3C)nn2)C1 1094330639 OCJLYXAKSSXOGK-SMDDNHRTSA-N 303.366 -0.191 30 20 DBED C[C@@H](CS(C)(=O)=O)C(=O)NCCCN=c1cc[nH]cc1C#N 1094463852 XJRDLANOIIATHF-NSHDSACASA-N 324.406 -0.026 30 20 DBED CC#CCN1CC(N2C[C@H](NC(=O)[C@@]3(C)CCOC3)CC2=O)C1 1094801351 KXWKFBFLBAOQFQ-DYVFJYSZSA-N 319.405 -0.162 30 20 DBED CN(C)C(=O)CC(=O)N1CC[C@@H](N(C)c2cncc(C#N)n2)C1 1095157422 SKCADJRKEDUDEE-GFCCVEGCSA-N 316.365 -0.136 30 20 DBED C=CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN1CC(=O)N(C)C1=O 1096334780 LDPGGBOSRDZTMG-WOPDTQHZSA-N 306.366 -0.212 30 20 DBED N#Cc1nc(=N[C@H](CNC(=O)c2nccnc2N)C2CC2)cc[nH]1 1096606237 JJBKBPCFQAWFEX-SNVBAGLBSA-N 324.348 -0.237 30 20 DBED N#Cc1cnc(N2CCCC[C@H]2CNC(=O)CC(N)=O)cn1 1097402052 XBRCZCLIBQRJPC-NSHDSACASA-N 302.338 -0.301 30 20 DBED C#CCCN(CCO)C1CCN(C(=O)[C@H]2CC(=O)N(C)C2)CC1 1098383937 HTXHNYWYPXTCBP-AWEZNQCLSA-N 321.421 -0.227 30 20 DBED C=C(C)CN(CCO)C1CCN(C(=O)[C@@H]2CN(C)C(=O)N2)CC1 1098447512 MVBDJDBKFIFCNM-AWEZNQCLSA-N 324.425 -0.129 30 20 DBED C#CCN(CCO)C1CCN(C(=O)[C@@H](CC)NC(C)=O)CC1 1098485006 HJMCTFUNAWFDSP-OAHLLOKOSA-N 309.410 -0.180 30 20 DBED C#CCN(CCO)C1CCN(C(=O)[C@H]2CCC(=O)N(C)C2)CC1 1098575531 SZPJIBJZMBPDMD-AWEZNQCLSA-N 321.421 -0.227 30 20 DBED C#CCNCc1cn([C@@H]2CCN(C(=O)[C@@H]3CCCO3)C2)nn1 1098604331 MKCASPRTHKDTOO-KGLIPLIRSA-N 303.366 -0.047 30 20 DBED C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)C[C@@H]1NC(=O)NC1=O 1099110289 AJVQPEPFXBSUJG-NEPJUHHUSA-N 320.393 -0.176 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2cnn(C)c2)[C@@H](O)C1 1099651158 QARMDQLKLGTEBO-KBPBESRZSA-N 306.366 -0.765 30 20 DBED C[C@@H](CCNC(=O)[C@@H]1CNC(=O)N1)Nc1ncccc1C#N 1099683245 YPMZKBHTCUTGOJ-ONGXEEELSA-N 302.338 -0.059 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)c2cc(C)[nH]n2)[C@@H](O)C1 1099709441 IICLLDFHNMGASQ-AAEUAGOBSA-N 321.381 -0.815 30 20 DBED CC(C)(C)C#CC(=O)N[C@H]1CCN(Cc2nc(O)n[nH]2)C[C@H]1O 1099830155 NMMXDZAJCFVVQE-WDEREUQCSA-N 321.381 -0.389 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)c2ccns2)[C@H](O)C1 1099854001 ZQEBCCHELMLSJN-WDEREUQCSA-N 324.406 -0.390 30 20 DBED C#Cc1cncc(C(=O)NCCN(C)c2nccn3nnnc23)c1 1100316881 WBUIOKYPFSSFED-UHFFFAOYSA-N 322.332 -0.238 30 20 DBED CN(CCNC(=O)[C@@]1(C)CCNC(=O)C1)c1cncc(C#N)n1 1100398473 JBAKDDOQRXUHIX-HNNXBMFYSA-N 316.365 -0.183 30 20 DBED CS(=O)(=O)CC(=O)NC[C@@H]1CCCN1c1ccc(C#N)nn1 1100801737 XCKRSFSWKBOWBM-NSHDSACASA-N 323.378 -0.522 30 20 DBED CC(C)(C(N)=O)C(=O)NC[C@H]1CCCN1c1nccnc1C#N 1100876569 FBGRCUPVPOTPEL-SNVBAGLBSA-N 316.365 -0.055 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CN(CC(=O)NCC#N)C[C@@]2(C)C1 1101173331 RRKZGHUVXAQRMT-JMSVASOKSA-N 303.366 -0.434 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)COCCOC)c3nccn32)C1 1101620170 DIONVAHGRUNFGO-CYBMUJFWSA-N 318.377 -0.249 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)c2cncnc2)C1 1101897887 SOAMFMMFPGBWBA-TZMCWYRMSA-N 315.377 -0.476 30 20 DBED COCC#CCN1C[C@@H](C)[C@H](CNC(=O)[C@@H]2CCC(=O)NC2)C1 1102112926 MWEYBTOVKZXOGQ-RBSFLKMASA-N 321.421 -0.154 30 20 DBED C=C(C)CN1C[C@@H](C)[C@H](CNC(=O)CN2C(=O)CNC2=O)C1 1102557504 ARYNJHCMWSGXMV-VXGBXAGGSA-N 308.382 -0.202 30 20 DBED C[C@@H](C#N)C(=O)NCC[C@@H]1CN(Cc2nc(=O)n(C)[nH]2)C[C@H]1C 1102783481 BNOMICRLGHMWPU-QJPTWQEYSA-N 320.397 -0.158 30 20 DBED CC[C@@H](CNC(=O)Cc1n[nH]c(C)n1)N=c1cc[nH]c(C#N)n1 1103054880 MLUZXDNDGWOKOH-JTQLQIEISA-N 314.353 -0.254 30 20 DBED C#CCN1C[C@@H](C)[C@H](CCNC(=O)C[C@@H]2CC(=O)NC2=O)C1 1103789738 PCPPLJIWUHXLIQ-JHJVBQTASA-N 305.378 -0.253 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)CCNC(N)=O 1104565201 OGTZBAQAGYOYSU-SECBINFHSA-N 305.342 -0.913 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H](O)CNC(=O)Cn1cccn1 1105722586 RQNHCGNKFFBTSR-LBPRGKRZSA-N 300.322 -0.839 30 20 DBED CCC(=O)NCC(=O)NC[C@@H](O)CNc1ccc(C#N)nc1 1105771779 SOAXDKRPCKKINF-LBPRGKRZSA-N 305.338 -0.632 30 20 DBED CCn1nccc1C(=O)NC[C@@H](O)CN=c1cc[nH]cc1C#N 1105800430 PGODQANOQPHWAG-LBPRGKRZSA-N 314.349 -0.206 30 20 DBED N#Cc1nccnc1NC[C@H](O)CNC(=O)C1CCC(O)CC1 1105804202 LIEAPNZAQWVQAU-MCIGGMRASA-N 319.365 -0.212 30 20 DBED Cc1cc(C#N)nc(NC[C@H](O)CNC(=O)CC2(O)CCC2)n1 1105810148 OYYFNUZULBFCSL-GFCCVEGCSA-N 319.365 -0.149 30 20 DBED CC(C)C#CC(=O)NC[C@H](O)CNc1nc[nH]c2ncnc1-2 1105811906 LSTYNYSKQFVUFI-JTQLQIEISA-N 302.338 -0.147 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H](O)CNC(=O)C[C@H]1COC(=O)C1 1105819637 HRFGLGROTYBATI-ZYHUDNBSSA-N 318.333 -0.783 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)c2csnn2)nn1 1106054509 OQIHSGZARCYLSC-QMMMGPOBSA-N 305.323 -0.597 30 20 DBED Cc1cc(C#N)nc(NCC[C@@H](C)NC(=O)Cn2cnnn2)n1 1106195517 ZKQKUHOQNMHSFD-SECBINFHSA-N 315.341 -0.350 30 20 DBED CCN(CCN=c1cc[nH]cc1C#N)C(=O)[C@@H]1COC(=O)N1 1106754953 WDIGEHNFLFCINS-LBPRGKRZSA-N 303.322 -0.256 30 20 DBED CNS(=O)(=O)CC(=O)NC/C=C/CNc1ccc(C#N)nc1 1107214156 IVSHCLXVVIUSEQ-NSCUHMNNSA-N 323.378 -0.413 30 20 DBED C#CCCN1CCO[C@](C)(CNC(=O)CN2CCOCC2)C1 1107878752 HUYKEAHBVZUDNT-MRXNPFEDSA-N 309.410 -0.451 30 20 DBED COCC(=O)N[C@H](C)C(=O)N[C@H](C)CNc1nccnc1C#N 1108174144 LOZNJBUUWAOQGW-NXEZZACHSA-N 320.353 -0.584 30 20 DBED COCC(=O)N[C@@H](C)C(=O)N[C@H](C)CNc1ccc(C#N)nn1 1108174390 XADYBPBFLOLOIL-ZJUUUORDSA-N 320.353 -0.584 30 20 DBED Cc1cc(=NC[C@H](C)NC(=O)[C@@H]2COCCN2C)c(C#N)c[nH]1 1108319972 OINYYZGTUGQXLF-WFASDCNBSA-N 317.393 -0.069 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)[C@@H](OC)C(C)C)CC2=O)C1 1108569859 QOEMRSIDQDYOIO-DOMZBBRYSA-N 307.394 -0.308 30 20 DBED CN(CCCNc1cnc(C#N)cn1)C(=O)[C@@H]1COCCN1C 1109410331 XKDRVBKLAKHGRQ-ZDUSSCGKSA-N 318.381 -0.061 30 20 DBED C#CCNC(=O)CC(=O)NCC1(N=c2cc[nH]cc2C#N)CC1 1110105439 CYFJTPWVJNZEJL-UHFFFAOYSA-N 311.345 -0.425 30 20 DBED CN1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1110386468 QAUNAEPKRDECOY-YIYPIFLZSA-N 319.409 -0.558 30 20 DBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1csnn1 1110866274 XHSSGIAKTWPKDB-KKZNHRDASA-N 320.378 -0.487 30 20 DBED N#Cc1cncc(N2CC[C@@](O)(CNC(=O)[C@@H]3CCOC3)C2)n1 1111043223 AEWJGXVJKWSHMU-IAQYHMDHSA-N 317.349 -0.558 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)OC)C1 1111627215 JEYALOWPQBTROX-WWGRRREGSA-N 307.394 -0.259 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1O 1112701296 FZPLGHCBCZHWAI-VXGBXAGGSA-N 317.349 -0.536 30 20 DBED C=CCOCC(=O)N1CCN(CC(=O)NCCCOC)CC1 1112708479 JFPNKTOZPSUJAQ-UHFFFAOYSA-N 313.398 -0.514 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)COCCOC)CC1 1112727519 LLBWMIZYVJTSFN-CYBMUJFWSA-N 313.398 -0.516 30 20 DBED COC1CCC(C(=O)N2CCN(CC(=O)NCC#N)CC2)CC1 1113270716 YUFGZNGYAJZQQP-UHFFFAOYSA-N 322.409 -0.024 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCCC(=O)N2C)CC1 1113592288 GIIYCCFSMYWUPG-CYBMUJFWSA-N 322.409 -0.556 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)COCCC=C)CC1 1113710287 JQSUPAIWHJNPBL-AWEZNQCLSA-N 307.394 -0.139 30 20 DBED C[C@@H](CNC(=O)Cn1ncnn1)N(C)c1ccc(C#N)nc1 1113723916 YMPPPYJRGVPPAF-JTQLQIEISA-N 300.326 -0.419 30 20 DBED C[C@@H](CC(N)=O)C(=O)NC[C@@H](C)N(C)c1ccc(C#N)nn1 1113799347 CPVJOHPIOYOGOC-VHSXEESVSA-N 304.354 -0.199 30 20 DBED CN(C(=O)CN1C[C@@H]2C(NC(=O)CSCC#N)[C@H]2C1)C1CC1 1113890529 BROCAVGBYDRAEW-RYUDHWBXSA-N 322.434 -0.090 30 20 DBED Cn1nnc(CN2C[C@@H]3C(NC(=O)CSCC#N)[C@H]3C2)n1 1113891316 POCMEMYSPMSKAJ-IUCAKERBSA-N 307.383 -0.987 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)c3cc[nH]n3)[C@H]2C1 1113894428 URPUJTXAUZQNFK-DCAQKATOSA-N 301.350 -0.792 30 20 DBED C=CCC1(C(=O)NC2[C@@H]3CN(CC(N)=O)C[C@@H]23)CCOCC1 1115182448 LPCODONNIDPPEP-VXGBXAGGSA-N 307.394 -0.109 30 20 DBED CC#CCN1C[C@H]2C(NC(=O)CCCN3C(=O)CNC3=O)[C@@H]2C1 1115218645 HSSRLIQUCDWYGU-VXGBXAGGSA-N 318.377 -0.612 30 20 DBED C#CCSCCNC(=O)C(=O)NCCCCS(C)(=O)=O 1118174007 DMXWFNGIKMCINF-UHFFFAOYSA-N 320.436 -0.590 30 20 DBED Cc1cc(=N[C@H](CO)CNC(=O)[C@@H]2CCCN2C)c(C#N)c[nH]1 1121243589 VPESPBGKUPWPAG-ZFWWWQNUSA-N 317.393 -0.333 30 20 DBED COc1cc(C(=O)NC[C@@H](CO)Nc2nccnc2C#N)on1 1121465032 PSBYZSRRZRSJCP-QMMMGPOBSA-N 318.293 -0.452 30 20 DBED N#Cc1nccnc1N[C@@H](CO)CNC(=O)CC1(O)CCC1 1121528618 OQFOUKXOTIHLAK-SNVBAGLBSA-N 305.338 -0.458 30 20 DBED Cn1ccc(C(=O)NC[C@@H](CO)Nc2cncc(C#N)n2)n1 1121581918 SKOFQJWYHFFSCI-JTQLQIEISA-N 301.310 -0.715 30 20 DBED CN(C)S(=O)(=O)CC(=O)NC1CC2(CC(NCC#N)C2)C1 1122129635 JNKMGDBIDHVHJP-UHFFFAOYSA-N 314.411 -0.582 30 20 DBED CO[C@@H](C(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1)C1CCC1 1122364859 PGJDTKMIVCBLJF-BXUZGUMPSA-N 319.365 -0.526 30 20 DBED C=C1CC(C)(C(=O)NC[C@@H](CO)Nc2nccn3nnnc23)C1 1122501046 PCZSLDOKVPZFSJ-JTQLQIEISA-N 317.353 -0.235 30 20 DBED Cn1ccnc1C(=O)[C@@H](C#N)C(=O)CCN1C(=O)CCC1=O 1122632138 QFISBKIODNXABB-VIFPVBQESA-N 302.290 -0.149 30 20 DBED N#Cc1cnc(N[C@H](CO)CNC(=O)CCc2cn[nH]c2)cn1 1122703664 GNCUYRDHWDZJQN-LBPRGKRZSA-N 315.337 -0.407 30 20 DBED Cc1nnccc1C(=O)NC[C@@H](CO)Nc1ccc(C#N)nn1 1122851507 ZSFJVGGQVLBTAF-NSHDSACASA-N 313.321 -0.351 30 20 DBED Cc1nc[nH]c1C(=O)N(C)C[C@@H](O)CNc1cnc(C#N)cn1 1124398928 GPIXZFQIRKJRSF-NSHDSACASA-N 315.337 -0.075 30 20 DBED COC[C@@H](OC)C(=O)N(C)C[C@H](O)CNc1cncc(C#N)n1 1124722255 WLEKQDYBBXFQMN-VXGBXAGGSA-N 323.353 -0.759 30 20 DBED C#CCO[C@@H](C)C(=O)NCCN[C@H](C)C(=O)NCC(F)(F)F 1127052046 QBILQONMUZUGCA-ZJUUUORDSA-N 323.315 -0.203 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)CCOCC(F)F 1127428108 IHVYCGGZPHKDTO-SNVBAGLBSA-N 305.325 -0.498 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cc(C2CC2)nn1C 1128485990 LHIHUGYKBGZAHH-UHFFFAOYSA-N 303.366 -0.634 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCNCCCO[C@@H]1CCOC1 1129770586 JNHWCJHSYZZYJB-CVEARBPZSA-N 323.437 -0.015 30 20 DBED CC[C@@H](OC)C(=O)NCc1nc([C@@H]2COCCN2CC#N)n[nH]1 1130835769 QZTBIRRJJXILOS-WDEREUQCSA-N 322.369 -0.257 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)c1cn(C)ccc1=O 1131165357 TWMHSLJUSRLZDV-LLVKDONJSA-N 306.366 -0.605 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)c1cn(C)ccc1=O 1131165358 TWMHSLJUSRLZDV-NSHDSACASA-N 306.366 -0.605 30 20 DBED CC#CCN1C[C@H]2C[C@@H]3CN(C(=O)CNC(C)=O)C[C@@]3(C1)O2 1131173709 CBQUEQYPUPJSBM-IIAWOOMASA-N 305.378 -0.553 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1cc2n(n1)CCCO2 1131190658 GINRXXIWXCYAAU-NSHDSACASA-N 319.365 -0.877 30 20 DBED C=CCO[C@@H](C)C(=O)N1C[C@H]2C[C@@H]3CN(CCO)C[C@]2(C1)O3 1131297491 DUFFJEBMGLLHKF-DSJMHWKBSA-N 310.394 -0.129 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCC(=O)NCCN(CC#N)CC1 1131398743 DDWIHPLEADKMSE-ZDUSSCGKSA-N 308.382 -0.248 30 20 DBED C#CCNC(=O)CNCCNC(=O)Cc1sc(C)nc1C 1131548909 YACBEQDQTPLBRL-UHFFFAOYSA-N 308.407 -0.242 30 20 DBED C#CCOCCC(=O)N[C@@H]1CC[C@H](C)N(Cc2nnnn2C)C1 1132042089 PQKGDUMDBXWQCQ-QWHCGFSZSA-N 320.397 -0.281 30 20 DBED C#CCN1C[C@H](NC(=O)CN(C)S(=O)(=O)CC)CC[C@H]1C 1132392544 MESBYLKTKMDYDA-CHWSQXEVSA-N 315.439 -0.130 30 20 DBED C[C@@H]1CCN(C(=O)c2nccnc2C(N)=O)C[C@@H]1CNCC#N 1133298850 UDXDTIHOGCJXKD-MNOVXSKESA-N 316.365 -0.213 30 20 DBED Cc1cnc(C(=O)N[C@H](C)C[C@H](C)NCC(=O)NCC#N)cn1 1133579067 XTNFRKYDWDQDMG-WDEREUQCSA-N 318.381 -0.089 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)c1ccc(O)nn1 1133614264 DKFXLRDAWQPNCA-GHMZBOCLSA-N 319.365 -0.582 30 20 DBED C[C@@H](C[C@H](C)NC(=O)c1cn(C)cn1)NCC(=O)NCC#N 1134098627 DMGIYSDUKGJTJG-QWRGUYRKSA-N 306.370 -0.454 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)C[C@H](C)NCc1cn(C)nn1 1134130204 DSRPBMJRKQYNHQ-RYUDHWBXSA-N 320.397 -0.673 30 20 DBED Cc1ccnc(C(=O)N[C@@H](C)C[C@@H](C)NCC(=O)NCC#N)n1 1134243570 CALNCQKBYXHXBT-NEPJUHHUSA-N 318.381 -0.089 30 20 DBED C#CCCN[C@H](C)C[C@H](C)NC(=O)Cn1cnc(C(N)=O)n1 1134401804 WWLBXNVDCBOBEM-MNOVXSKESA-N 306.370 -0.727 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)c1cn(C)c(O)n1 1135386307 FDWFJJZWMFDTGO-WDEREUQCSA-N 321.381 -0.638 30 20 DBED C=CCN[C@@H](C)C[C@@H](C)NC(=O)CN1C(=O)C(=O)N(C)C1=O 1135598081 ZQNQRSLWWQNCCB-VHSXEESVSA-N 310.354 -0.534 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1coc(CC2CC2)n1 1136035666 CXTSXXQXIQJRDS-UHFFFAOYSA-N 305.338 -0.414 30 20 DBED CC(=O)N[C@@H](C(=O)NC[C@@H]1CN(CC#N)CCCO1)C(C)C 1150606791 KLEQFSDGKHMNPM-ZIAGYGMSSA-N 310.398 -0.122 30 20 DBED C=CCO[C@H](C)C(=O)NCCN[C@H](C)C(=O)NC(=O)NC 1153161691 ZXXXISKTZOAEIP-NXEZZACHSA-N 300.359 -0.873 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)NCCCNC(=O)c1cn[nH]c1 1155029460 IPRCDGBXBJNUOP-JTQLQIEISA-N 322.369 -0.481 30 20 DBED N#Cc1c[nH]c(C(=O)NCCCNC[C@@H](O)Cn2cccn2)c1 1156296276 KXTSTPGQHPBAEQ-CYBMUJFWSA-N 316.365 -0.147 30 20 DBED C=CCNC(=O)CNCCCNC(=O)c1cnc(N(C)C)cn1 1158055164 GCBFFUKUHNADGI-UHFFFAOYSA-N 320.397 -0.446 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCC1=CCN(CC(N)=O)CC1 1160386451 ZVSCMJGSRILUHS-HNNXBMFYSA-N 318.421 -0.292 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)[C@@H]1CCN(C)C(=O)C1 1161155607 HPIBUOZEZHLXLU-CHWSQXEVSA-N 324.425 -0.359 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1c[nH]nc1C(C)C 1161672630 YAYHRKGVMAAJCD-UHFFFAOYSA-N 305.382 -0.008 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1cnn(C)c1CCC 1161750989 SVOVDPHTULIXLF-UHFFFAOYSA-N 319.409 -0.169 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)CC1CCN(C)CC1 1167666754 BCNKIFNPYHKLHC-AWEZNQCLSA-N 322.453 -0.048 30 20 DBED C=CCNCCCC[C@@H](C)NC(=O)C[C@H](NC(C)=O)C(N)=O 1175581802 TVQCJRKLZGFJBP-YPMHNXCESA-N 312.414 -0.183 30 20 DBED C[C@H]1CN(C(=O)c2cn[nH]c2)CC[C@@H]1CNCC(=O)NCC#N 1183923186 KAJVWTDXWPTQGS-NWDGAFQWSA-N 318.381 -0.263 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)Cn2nccc2C)C1 1185977800 XEQWGYPMDJHSOX-CYBMUJFWSA-N 305.382 -0.316 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2nc(C)c[nH]2)C1 1186213407 GJZAQGLRNIAJBX-VXGBXAGGSA-N 303.366 -0.340 30 20 DBED C#CCCNC[C@H]1CN(C(=O)CNC(N)=O)CC12CCOCC2 1186245161 GBOFLDSFAJDVHC-ZDUSSCGKSA-N 322.409 -0.477 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)[C@H](C)OCC#C)[C@@H]2C1 1187865284 NTXCJGGXBKNONS-SOUVJXGZSA-N 317.389 -0.693 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)Cc2ccnn2C)C1 1189867487 WYWWDVGKTVGPAG-AWEZNQCLSA-N 319.409 -0.203 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@H]1CCN(C(=O)c2[nH]nnc2C)C1 1191675291 VGACRNYSILRVKX-NEPJUHHUSA-N 318.381 -0.603 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)[C@H](C)CSC)C1 1191815299 SLOKTHDUSWKTGZ-JHJVBQTASA-N 300.424 -0.203 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)[C@@H](COC)OC)C1 1192267497 JGXBWXMJDALPRP-CHWSQXEVSA-N 313.398 -0.517 30 20 DBED C[C@@H]1CCN(CC(=O)N2CC[C@@H](N(C)CC(=O)NCC#N)C2)C1 1192353611 FUDRFKWWSBEZNG-ZIAGYGMSSA-N 321.425 -0.499 30 20 DBED C=CCCCN1C[C@@H](O)[C@H](NC(=O)CN(C)S(C)(=O)=O)C1 1193488829 OOCAXCPEULUEHX-VXGBXAGGSA-N 319.427 -0.995 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)CCNC(=O)COC)C1 1193500387 TXFOWZILNHYXEC-CHWSQXEVSA-N 313.398 -0.733 30 20 DBED CC#CCN(C)[C@@H]1CCN(C(=O)CC[C@H]2NC(=O)NC2=O)C1 1193907377 YHQXNXBHIJQWOS-VXGBXAGGSA-N 306.366 -0.469 30 20 DBED CCO[C@@H](C(=O)N[C@@H]1CN(CC#N)C[C@H]1O)C1CCOCC1 1195029567 FBDBNAJLESGYSD-MGPQQGTHSA-N 311.382 -0.497 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)CCCS(N)(=O)=O)C1 1195747882 ZZZNBGBMBCMORF-VXGBXAGGSA-N 319.427 -0.817 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)CS(=O)(=O)NC(C)(C)C)C1 1198761119 CEIQUAYXXOZTKZ-GHMZBOCLSA-N 319.427 -0.948 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)c2[nH]cnc2C)C1 1199531748 GINGICBKYNJQLO-IJLUTSLNSA-N 321.381 -0.816 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@H](NC(=O)CC(C)(C)O)C12CCC2 1202836120 WVCJLMKNRNRVRH-STQMWFEESA-N 321.421 -0.086 30 20 DBED CC#CCNC1CCN(C(=O)[C@@H]2CN(C(C)=O)CCO2)CC1 1203545499 ZAIODICLMYWVPX-HNNXBMFYSA-N 307.394 -0.162 30 20 DBED C=CCNC(=O)NC(=O)CN[C@H]1CCCN(C(=O)COC)C1 1206981000 VGOBTTYLLSFBEX-NSHDSACASA-N 312.370 -0.775 30 20 DBED C=CCNC(=O)NC(=O)CN[C@@H]1CCCN(C(=O)[C@@H](C)C#N)C1 1207688868 SZHYCSCKGKQQEU-NWDGAFQWSA-N 321.381 -0.262 30 20 DBED C#CCCN1C[C@@H](NC(=O)CS(=O)(=O)CCOC)[C@H](C)C1 1207731011 RZWDPFPSGFJIOW-CHWSQXEVSA-N 316.423 -0.493 30 20 DBED CCC[C@@H](OC)C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1208288820 DXOZLRCTCRCCNE-JHJVBQTASA-N 310.398 -0.122 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2ccc(C#C)cn2)[C@H](C)C1 1210412637 WGBNQDUGXIRQCA-CZUORRHYSA-N 324.384 -0.138 30 20 DBED N#CCN[C@@H]1CCCN(C(=O)CNC(=O)c2ccccn2)C1 1211223760 ASVDQRZWSLAGCB-GFCCVEGCSA-N 301.350 -0.084 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN(CC(=O)NC(N)=O)C[C@H]2OC)C1 1213409997 WQUJOZGNSUOYMY-GHMZBOCLSA-N 324.381 -0.647 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)c2ccnc(C)n2)C[C@H]1C 1216766789 LJULYIYUNNKROD-BXUZGUMPSA-N 315.377 -0.415 30 20 DBED C=CCCOCCCCC(=O)N[C@@H]1CN(CCO)C[C@@H]1O 1219623253 MHXBUOMDZMQYRY-KGLIPLIRSA-N 300.399 -0.097 30 20 DBED C[C@@H](C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@@H]1O)c1ccco1 1220342618 IEKOBJBIFITHFU-UTUOFQBUSA-N 320.349 -0.816 30 20 DBED Cc1cc(C(=O)NCC(=O)N[C@@H]2CN(CC#N)C[C@@H]2O)c(C)o1 1220991083 OIXMNTBVOMDEQG-OLZOCXBDSA-N 320.349 -0.689 30 20 DBED Cc1n[nH]c(C)c1C[C@H](C)C(=O)N[C@@H]1CN(CC#N)C[C@@H]1O 1221009789 LFSKAPVNFCLSBE-FZZIBODNSA-N 305.382 -0.110 30 20 DBED N#CCN1CCC(CNC(=O)CNC(=O)C2CCOCC2)CC1 1224883438 AAOBOEAFCWPKRF-UHFFFAOYSA-N 322.409 -0.119 30 20 DBED C#CCCN[C@@H]1CCCC[C@H]1NC(=O)CNS(=O)(=O)CC 1226573690 YCGOGDYNLBDNMJ-CHWSQXEVSA-N 315.439 -0.034 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)Cc2ccn(C)n2)CC1 1227258915 XGXBOCMHOYNJMQ-UHFFFAOYSA-N 317.393 -0.707 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@@H]1CN(C)C(=O)c1cncnc1 1233836838 KLESTCVPMBOHDO-GXTWGEPZSA-N 315.377 -0.239 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@@H]1CN(C)C(=O)CC1(O)CCC1 1234172016 UQQMKHZKSCCGIM-ZIAGYGMSSA-N 321.421 -0.038 30 20 DBED C#CCC[C@H](O)CNC(=O)C(=O)Nc1ccn([C@H](C)COC)n1 1256560768 UGEDIYSMRNREOL-NEPJUHHUSA-N 322.365 -0.081 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 1257597008 YLINGHIOGCTPET-GJZGRUSLSA-N 317.389 -0.549 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N1C[C@@H](C)O[C@@H](C(=O)OC)C1 1261538444 NFXPDRCMUBUHAB-OUAUKWLOSA-N 314.338 -0.908 30 20 DBED C=CCNC(=O)Cn1nnnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1262409670 HDTYVHHGERYSRT-FZMZJTMJSA-N 322.369 -0.641 30 20 DBED Cc1cc(NC(=O)C(=O)N2C[C@@H]3C[C@]3(CO)C2)n(CCC#N)n1 1320678990 OOSFUAGXPXZBIM-XHDPSFHLSA-N 317.349 -0.116 30 20 DBED C#CCNC(=O)C1CCN(C(=O)CS(=O)(=O)CC)CC1 1321299132 QGKNHOGLEYWTDT-UHFFFAOYSA-N 300.380 -0.591 30 20 DBED C#C[C@H](NC(=O)C(=O)NCCC(=O)NC(C)(C)C)[C@H]1CCCO1 1324350677 SJIDBIIZQPURJP-NWDGAFQWSA-N 323.393 -0.296 30 20 DBED Cc1cc(NC(=O)C(=O)N[C@@H]2CNC(=O)C2)nn1CCC#N 1324370060 OMRZBQRFJSAERW-VIFPVBQESA-N 304.310 -0.952 30 20 DBED C#CCSCCNC(=O)C(=O)NCCCc1cnn(C)c1 1324950479 RDYUWDHBJMLIBS-UHFFFAOYSA-N 308.407 -0.049 30 20 DBED C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N1CC[C@](O)(CC#N)C1 1332247665 FOSQTUZRLYIFJW-AXAPSJFSSA-N 320.393 -0.538 30 20 DBED CCN1C[C@@H](CNC(=O)C(=O)N2CCC[C@H](C#N)C2)CC1=O 1333114918 QJNXYSZEUFHURE-VXGBXAGGSA-N 306.366 -0.267 30 20 DBED CN1C(=O)[C@@H]2CN(c3nnc(CC(C)(C)C#N)n3C)C[C@@H]2C1=O 1341722186 FPMMOXBHHLJSGJ-AOOOYVTPSA-N 316.365 -0.042 30 20 DBED C#C[C@H](C)NC(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1 1343340503 MCTTWFFHGOVPSL-ZETCQYMHSA-N 313.310 -0.451 30 20 DBED N#C[C@]1(F)CCN(C(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C1 1345571034 MFRUXWZFMODXPV-TYNCELHUSA-N 324.356 -0.570 30 20 DBED C[C@@H]1[C@@H](C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)C1(F)F 1347040236 WNLKDZBDHQNDST-VGMNWLOBSA-N 320.317 -0.147 30 20 DBED CC[C@H](C)N(C)CCNC(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1349213726 XSFHBRHLPCUYNR-WFASDCNBSA-N 310.398 -0.290 30 20 DBED C=CCN(CCOC)c1nnnn1CCCS(C)(=O)=O 1355512221 FKNGXEHEHHYUGC-UHFFFAOYSA-N 303.388 -0.253 30 20 DBED COC(=O)C1(C#N)CCN(S(=O)(=O)c2cnnn2C)CC1 1363971804 FLOXHMARJLJZEG-UHFFFAOYSA-N 313.339 -0.717 30 20 DBED CCc1ncc(CNC(=O)Cn2cc(C#N)c(O)nc2=O)[nH]1 1364236840 VAMCXBGALIQKPO-UHFFFAOYSA-N 302.294 -0.578 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN([C@@H](C)C(=O)N2CCCCC2)C1 1368288613 LLDPTZJGKVNRNA-STQMWFEESA-N 322.409 -0.290 30 20 DBED C=C(Cl)CN1CC(O)(CNC(=O)[C@H]2CCCS2(=O)=O)C1 1368373825 MEHYOYGSKPPMKU-SNVBAGLBSA-N 322.814 -0.521 30 20 DBED COC[C@@H](O)CN1CC([C@H](C)NC(=O)c2cc(C#N)c[nH]2)C1 1378489020 FAGMFFYDCGGTMW-GWCFXTLKSA-N 306.366 -0.056 30 20 DBED Cc1noc(C)c1CC(=O)NC[C@@H](O)CNC(=O)[C@H](C)C#N 1392096827 YTLSNRZRYWGLEQ-LDYMZIIASA-N 308.338 -0.413 30 20 DBED CN(CCNC(=O)CCn1cc(C#N)c(O)nc1=O)C1CC1 1412454682 JUNAUAFWLOEEKX-UHFFFAOYSA-N 305.338 -0.579 30 20 DBED N#Cc1cnn2c(O)cc(CN3CC[C@H](CO)[C@H](O)C3)nc12 1412975946 FQDKGNLQZXVJTM-BXKDBHETSA-N 303.322 -0.518 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H]1CNC(=O)CN1CCOCC1 1415748976 ORHXFAIJNDSRNY-CHWSQXEVSA-N 308.382 -0.415 30 20 DBED C[C@@H](C#N)C(=O)NC1CN(C(=O)[C@H]2CCCCS2(=O)=O)C1 1416045738 HGADNHUAVRGOMI-GXSJLCMTSA-N 313.379 -0.560 30 20 DBED Cn1c(=O)[nH]c(NC[C@H](O)COc2ccccc2)c(C#N)c1=O 1421049276 ZEGRQIYPUONAPJ-JTQLQIEISA-N 316.317 -0.203 30 20 DBED CC(=O)NCC(=O)N1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H]1C 1451602761 ZHCPSADPQIAOSU-TVQRCGJNSA-N 317.349 -0.258 30 20 DBED CC(=O)N1CCC(C(=O)N2CC(NC(=O)[C@H](C)C#N)C2)CC1 1456394325 KKNKQWBBBSDQHJ-SNVBAGLBSA-N 306.366 -0.268 30 20 DBED COC(=O)CN(CC(C)C)C(=O)Cn1cc(C#N)c(O)nc1=O 1457709620 QMWFTWZKDGAYIQ-UHFFFAOYSA-N 322.321 -0.522 30 20 DBED CC[C@@H](C(=O)N1CCCC[C@H]1CNCC(=O)NCC#N)N(C)C 1480361318 LTTXXLQMNXJQHK-KBPBESRZSA-N 323.441 -0.063 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H](C)S(C)(=O)=O)C1 1514879258 ZUESMUADHYCHDL-ZRUFSTJUSA-N 315.395 -0.410 30 20 DBED Cc1onc(CC(=O)N[C@H]2CN(C(=O)O)C[C@H]2CO)c1C#N 1574207983 JXWIABISSOPDOU-KWQFWETISA-N 308.294 -0.516 30 20 DBED C=CC[C@@H](CO)CNS(=O)(=O)c1cccnc1-c1nn[nH]n1 1588545408 GUCSKTKGXMFWRH-SECBINFHSA-N 324.366 -0.275 30 20 DBED C[C@H](C(=O)N[C@H](C(=O)O)c1ccnn1C)n1cnc(C#N)n1 1588552314 RXMMRHXMKAMAGS-XCBNKYQSSA-N 303.282 -0.614 30 20 DBED C=CCn1cc(C(=O)N(CCC(=O)O)CC(OC)OC)nn1 1588910425 XXIIWJZILPROBU-UHFFFAOYSA-N 312.326 0.000 30 20 DBED N#Cc1ncccc1S(=O)(=O)NC[C@H]1CCO[C@H]1C(=O)O 1601135240 LLSHSWWXYAMHFU-LDYMZIIASA-N 311.319 -0.279 30 20 DBED C=C(Cn1c(=O)c(-c2nn[nH]n2)c(C)n(C)c1=O)C(=O)OCC 1602770546 OTGPZSMTBGQYLJ-UHFFFAOYSA-N 320.309 -0.845 30 20 DBED C=CCOC[C@H](NC(=O)[C@H]1CC(=O)N(CCOC)C1)C(=O)O 1602910193 QKRKGMWNHKBOOC-QWRGUYRKSA-N 314.338 -0.747 30 20 DBED CN(CCNc1cncc(-c2nn[nH]n2)n1)C(=O)C#CC1CC1 1604779021 NUNXVRUWXURTRJ-UHFFFAOYSA-N 312.337 -0.060 30 20 DBED C[C@H](NC(=O)[C@H](C)NC(=O)Nc1nn(C)cc1C#N)C(=O)O 1607458943 ULBAANKFLOJVTA-BQBZGAKWSA-N 308.298 -0.609 30 20 DBED N#C[C@@H]1CNC[C@H]1NC(=O)c1csc(S(N)(=O)=O)c1 1647244934 WYDOBOXCXZWKLA-HTQZYQBOSA-N 300.365 -0.763 30 20 DBED COCC#CCN1CC2(C[C@H](NC(=O)[C@H]3CCCN3C)CO2)C1 1733794853 QVCNYIOJFMUKAF-LSDHHAIUSA-N 321.421 -0.310 30 20 DBED Cn1cnc(C(=O)NCCCN(CC(=O)NCC#N)C2CC2)n1 1752254557 ZGMRUNCBJUXYAL-UHFFFAOYSA-N 319.369 -0.961 30 20 DBED N#Cc1cc(C(=O)N2CC[C@@H](CNCCOCCO)C2)c[nH]1 1752933780 HVKSWBIGSQEZCC-LBPRGKRZSA-N 306.366 -0.053 30 20 DBED C#CCCNC[C@@H]1CCN(C(=O)COCc2nncn2C)C1 1752956078 KFEYBRXSHSHWSQ-ZDUSSCGKSA-N 305.382 -0.207 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@H]1CN(C(=O)c1cccnn1)C2 1753310027 ZTTMXTXIAGUTLE-STQMWFEESA-N 313.361 -0.485 30 20 DBED C#CCNC(=O)CN1CC(NC(=O)[C@@H](C)Cc2cnc[nH]2)C1 1753388159 LFRBMUHCRXALEL-NSHDSACASA-N 303.366 -0.862 30 20 DBED C#CCNC(=O)CN1CC[C@@H](N(C)C(=O)Cn2ccnc2C)C1 1753449748 MPLALBXEQARDJE-CQSZACIVSA-N 317.393 -0.526 30 20 DBED Cn1cc(CN2CCO[C@H](CNC(=O)CSCC#N)C2)cn1 1753645946 ISWVYBOVTKWSNX-CYBMUJFWSA-N 323.422 -0.006 30 20 DBED C=CCNC(=O)CNC/C=C\CNC(=O)c1cnn2cc[nH]c12 1754200170 BJDLAZHDFBPSSU-ARJAWSKDSA-N 316.365 -0.160 30 20 DBED C=CCNC(=O)NC(=O)CNC[C@H](C)NC(=O)c1cncnc1 1754265799 WCXUJHYSCCQJGB-JTQLQIEISA-N 320.353 -0.804 30 20 DBED O=C(Cn1ncnn1)NC[C@@H]1CCN1CC#Cc1ccccc1 1754481867 CSCYIHXJGJGIHF-HNNXBMFYSA-N 310.361 -0.085 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CNC(=O)COc1cc(C)on1 1754486256 LHFNUFHUHLORLC-LBPRGKRZSA-N 320.349 -0.698 30 20 DBED CN(C)C1(C(=O)NCC2(NCC(=O)NCC#N)CC2)CCC1 1754516039 LZTUBNONDGVBIO-UHFFFAOYSA-N 307.398 -0.651 30 20 DBED CC#CCN[C@@H]1CCN(C(=O)Cn2ccc(O)nc2=O)[C@H](C)C1 1754598733 WHDXDMGVFIFXDZ-CHWSQXEVSA-N 318.377 -0.059 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NCC1(O)CN(CCOC)C1 1754776086 OPKUKLSGXUDRNA-ZDUSSCGKSA-N 313.398 -0.733 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)[C@@H](CC(=C)C)NC(C)=O 1754972124 FKWLDYWNAAQWNR-LSDHHAIUSA-N 307.394 -0.093 30 20 DBED CC#CCN1CCC(CO)(NC(=O)[C@@H](CC)NC(C)=O)CC1 1755181674 WVJGYDDREXOEBC-CQSZACIVSA-N 309.410 -0.133 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@H](C)N(C)CCN1CCNC1=O 1755298994 PNYCFAYIMKXRFC-WFASDCNBSA-N 312.414 -0.225 30 20 DBED C=CCNC(=O)CN(C)[C@@H](C)CNC(=O)[C@]1(CC)CCNC1=O 1755302457 BSNCXASBOGBHTP-BLLLJJGKSA-N 324.425 -0.359 30 20 DBED C=C(C)CCN1C[C@@H]2C(CNC(=O)C[C@@H]3NC(=O)NC3=O)[C@H]2C1 1755425426 OFRJOGOYPRDTLP-UPJWGTAASA-N 320.393 -0.155 30 20 DBED C[C@H](NCC#N)[C@H]1CN(C(=O)CCS(C)(=O)=O)CCO1 1755446261 XMHZIVYYNGEZQK-WDEREUQCSA-N 303.384 -0.850 30 20 DBED COCC#CCNC[C@H]1C[C@H](NC(=O)C[C@H](C)NC(N)=O)C1 1755471549 WRJSHJXHDVZIQQ-AVGNSLFASA-N 310.398 -0.433 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@H](C)N(C)C(=O)c1cnnn1C 1756020544 LHTYBPUKVHMCPF-HZMBPMFUSA-N 309.370 -0.281 30 20 DBED C#CCO[C@H](C)C(=O)N1CC([C@H](C)NC(=O)Cn2cncn2)C1 1756161929 YLPYRBUVPCLSPT-NWDGAFQWSA-N 319.365 -0.721 30 20 DBED C=C[C@H](CC)CC(=O)NC[C@H](O)CN(C)C(=O)c1cnn[nH]1 1756670161 VRAIGRHZHZCOPI-MNOVXSKESA-N 309.370 -0.044 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1CN(C(=O)c2[nH]c(O)nc2C)C[C@H]1O 1757021858 CSQKGWUQTBIEEG-NXEZZACHSA-N 322.365 -0.063 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@H](NC(=O)C[C@H](C)COC)C1 1757206572 QKGCUQKATNEZML-XQQFMLRXSA-N 314.382 -0.451 30 20 DBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCCNC)CCO2 1835668263 OSMGMHMJMBIYLW-INIZCTEOSA-N 323.393 -0.924 30 20 DBED C=CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@@H](N)CN)C2 1841608766 MXLBBECGNJVZIA-NEPJUHHUSA-N 310.398 -0.933 30 20 DBED C=CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)CNC(=N)N)C1 1842882441 LNMNFQJZTROXMH-LLVKDONJSA-N 323.397 -0.736 30 20 DBED N#CCC(=O)N1CC2(CCCN2C(=O)/C=C\C(=O)NC2CC2)C1 1844176860 HKOBCGGKPBNOHG-PLNGDYQASA-N 316.361 -0.062 30 20 DBED Cc1n[nH]cc1C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846196028 CUUDRWFJHCEREE-UHFFFAOYSA-N 316.317 -0.377 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CC(=O)NC 1847767452 ZJGYXAKFPPNSRT-AVGNSLFASA-N 321.377 -0.637 30 20 DBED C[C@@H](NC(=O)CN1CCO[C@H](C#N)C1)C(=O)N1CCCCC1 106307660 AVFVPYIDSQAFGF-CHWSQXEVSA-N 308.382 -0.272 30 20 DBED CN(CCC#N)C(=O)CCN1CCCN(S(C)(=O)=O)CC1 131024508 DYDKWMGEXMNEMC-UHFFFAOYSA-N 316.427 -0.284 30 20 DBED CN1C(=O)CC[C@H](NS(=O)(=O)c2cccnc2C#N)C1=O 234346372 OXBKHWHNBLEREC-QMMMGPOBSA-N 308.319 -0.621 30 20 DBED CCN(C[C@@H](C)C#N)C(=O)CN1CCC[C@]2(C1)NC(=O)NC2=O 279053187 KSKDXOVUUQVQGS-XHDPSFHLSA-N 321.381 -0.331 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@H]3NCC[C@@H]3C2)C1=O 293447027 PFHHYVOWXGJYRX-MNOVXSKESA-N 320.349 -0.826 30 20 DBED CCCN/C(N)=N/CCS(=O)(=O)NC[C@@H]1CCCCO1 304758417 PYTWULPXDFSPHR-NSHDSACASA-N 306.432 -0.211 30 20 DBED CC1CCN(C[C@H](O)C/N=C(/O)Cn2ncn(C)c2=O)CC1 329464990 VGPFKBUXFPNIQQ-GFCCVEGCSA-N 311.386 -0.369 30 20 DBED CC(C)N1CC[C@H](/N=C(/O)N[C@H](CO)c2cnn(C)c2)C1=O 330477859 WWILCQMJZYANBS-NWDGAFQWSA-N 309.370 -0.034 30 20 DBED C=CCN(C(=O)CN1CCCC1=O)[C@H]1CCS(=O)(=O)C1 330478540 YBBDELCBMCXTMH-NSHDSACASA-N 300.380 -0.190 30 20 DBED N#C[C@H]1CN(S(=O)(=O)N[C@H](CO)CC(F)(F)F)CCO1 336932655 CRYXKCOVTKRTEF-YUMQZZPRSA-N 317.289 -0.642 30 20 DBED CCc1nc([C@H](C)NS(=O)(=O)N2CCO[C@H](C#N)C2)n[nH]1 336933984 DMHZRESRSKOLQW-DTWKUNHWSA-N 314.371 -0.513 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N1CCC[C@]2(CNC(=O)C2)C1 336937615 GYBSCZWQNRSKLE-YPMHNXCESA-N 314.411 -0.075 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)Cn2ccc(O)nc2=O)C1=O 337094649 PEECRKYYMQWATF-SNVBAGLBSA-N 306.322 -0.806 30 20 DBED CCCCC(=O)N1CSC[C@@H]1C(=O)NCC(=O)NCC#N 344115599 MSBHPHCZTSHFEC-SNVBAGLBSA-N 312.395 -0.166 30 20 DBED COC(=O)C[C@]1(NC(=O)CNc2ccc(C#N)cn2)CCOC1 344900319 DQLYYYVRBSFEAZ-OAHLLOKOSA-N 318.333 0.204 30 20 DBED CSC[C@](C)(C#N)NC(=O)CN1CCS(=O)(=O)CC1 345082414 BABIIDZYERVDFR-NSHDSACASA-N 305.425 -0.522 30 20 DBED COCC(=O)N1CCN(C(=O)CNc2ccc(C#N)cn2)CC1 345245067 DIYJLGDJKQYZFD-UHFFFAOYSA-N 317.349 -0.318 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC2(COC)CCC2)C1=O 347611987 SRQJXSGIECYFOA-UHFFFAOYSA-N 309.322 -0.352 30 20 DBED Cc1cc(NC(=O)N2CCN(C(=O)CO)CC2)nn1CCC#N 348202346 ZSLVLJUQVMLQFG-UHFFFAOYSA-N 320.353 -0.226 30 20 DBED C=CCNC(=O)NC(=O)CN1CCSC[C@@H]1CC(=O)OC 348572210 SJVWAPLHAISEHI-JTQLQIEISA-N 315.395 -0.021 30 20 DBED Cc1cc(NC(=O)C(=O)N[C@H](CCO)C(C)C)nn1CCC#N 349302058 RSVMVEYPHFSZRE-GFCCVEGCSA-N 321.381 0.567 30 20 DBED COCCCS(=O)(=O)N(CCC#N)CCN1CCOCC1 354489615 FVNZEKCSSPMIGT-UHFFFAOYSA-N 319.427 -0.099 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N1CCN2C(=O)NC[C@@H]2C1 370298134 NUUFPJQZKYYWNH-NXEZZACHSA-N 301.372 -0.968 30 20 DBED C=CCC[C@@H](NC(=O)CN(C)S(C)(=O)=O)C(=O)OCC 456636796 YNCFHAQOKDJYES-SNVBAGLBSA-N 306.384 -0.108 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)CCNC(=O)OCC)CC1 491209477 HTXVASSBNNHZBU-UHFFFAOYSA-N 324.381 -0.984 30 20 DBED C#CCNC(=O)CCNCC1(N2CCOCC2)CC(OCC)C1 491624128 JMJOZXMTQUGJCM-UHFFFAOYSA-N 323.437 -0.015 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 491762016 YUSUBSGJGSUTIG-OLZOCXBDSA-N 315.439 -0.272 30 20 DBED C[C@](O)(CNS(=O)(=O)CC1(C#N)CC1)CN1CCOCC1 546621180 DVQQLMAQWLQBEQ-LBPRGKRZSA-N 317.411 -0.707 30 20 DBED CN(C)C[C@@](C)(C#N)NC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O 577563677 KWISVTPDJUWNQN-HUUCEWRRSA-N 321.381 -0.333 30 20 DBED C[C@@H]1OCCN(C(=O)C(=O)NC2CCN(CC#N)CC2)[C@H]1C 588126027 XWIUQBAYDGRKJO-RYUDHWBXSA-N 308.382 -0.274 30 20 DBED C[C@@H]1CN(C(=O)C(=O)N2CCN(CCC#N)CC2)CCCO1 601448661 MFNZLYBCWHQJAK-CYBMUJFWSA-N 308.382 -0.318 30 20 DBED CC[C@H](CC#N)NC(=O)C(=O)c1cc(S(N)(=O)=O)cn1C 613521486 FDIOERMIPXKTDP-MRVPVSSYSA-N 312.351 -0.336 30 20 DBED CCN1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)C[C@@H]1C 619712650 STDHTZBAJQPNDF-RYUDHWBXSA-N 302.400 -0.518 30 20 DBED N#CCNC(=O)CNS(=O)(=O)c1ccc2c(c1)C(=O)CC2 655590063 ALFDWXLPXPLFLH-UHFFFAOYSA-N 307.331 -0.266 30 20 DBED COC(=O)CN(CC#N)C(=O)Cc1ccc(-c2nn[nH]n2)cc1 736918655 HVNBCTBUXYCARR-UHFFFAOYSA-N 314.305 -0.066 30 20 DBED C#CCNC(=O)CN1CC[S@@](=O)C[C@H]1c1cnn(CC)c1 753810319 IWXLCWFKBMZPQF-YEJXKQKISA-N 308.407 -0.242 30 20 DBED C#CCNS(=O)(=O)N1CCN(Cc2ccnc(OC)c2)CC1 762927890 YBYSNVRBWZOCKG-UHFFFAOYSA-N 324.406 -0.325 30 20 DBED CCC(CC)=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 771898085 UBMAGJGBILIOLG-UHFFFAOYSA-N 302.356 -0.462 30 20 DBED C#CCOCCNC(=O)NCCC(=O)N1CCN(C(C)=O)CC1 784303352 XHYJNLURUOUQSL-UHFFFAOYSA-N 324.381 -0.984 30 20 DBED C[C@H](C#N)OCCOC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 801844961 OYNIYNYISBQNHD-AIPRNEOBSA-N 322.317 -0.379 30 20 DBED Cc1cc(F)cc2c1S(=O)(=O)N(CC(=O)NCC#N)C2=O 804916964 JCLVLNRDVFVZNC-UHFFFAOYSA-N 311.294 -0.082 30 20 DBED C#CCCCNC(=O)C(=O)NC[C@@H]1COC2(CCOCC2)O1 806708658 PMBNWDKDCYHTRZ-GFCCVEGCSA-N 310.350 -0.446 30 20 DBED C#C[C@H](NC(=O)C(=O)N(C)Cc1cnccn1)[C@@H]1CCCO1 809307234 BEZHFWXDMVFVID-STQMWFEESA-N 302.334 -0.268 30 20 DBED CN(C[C@@H](O)CN1CCOCC1)C(=O)[C@](C)(C#N)CC(=O)O 820574291 NMJAKCJVEPSTAB-RISCZKNCSA-N 313.354 -0.858 30 20 DBED C#CCN(C(=O)NC1CN(C(=O)O)C1)[C@@H]1CCS(=O)(=O)C1 833365713 XSHXMEXNQMRSPA-SNVBAGLBSA-N 315.351 -0.820 30 20 DBED COC(=O)[C@@H]1CN(C)CCN(S(=O)(=O)CC(C)(C)C#N)C1 916302892 OOZMRTYWRUPYBO-LLVKDONJSA-N 317.411 -0.097 30 20 DBED CC(=O)NCC(=O)NCC(=O)OCCOc1cccc(C#N)c1 917326515 ZXOUQMMBRROMGD-UHFFFAOYSA-N 319.317 -0.267 30 20 DBED C[C@@H](C(=O)OCC(=O)N(C)C(C)(C)C#N)N1C(=O)CCC1=O 919257099 AXSXQFCXUYBFTM-VIFPVBQESA-N 309.322 -0.172 30 20 DBED C#CCN1CCC[C@H](NC(=O)CCN2C(=O)CCNC2=S)C1 923559786 SOYULOHZTIKNBM-LBPRGKRZSA-N 322.434 -0.303 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](NC(=O)Cn2ccccc2=O)C1 937931763 ASKXZLQWBRILKB-NEPJUHHUSA-N 302.334 -0.275 30 20 DBED C#Cc1cncc(C(=O)N[C@H]2CCN(C(=O)Cc3nc[nH]n3)C2)c1 938705229 CYEOPMJJAUAMJG-ZDUSSCGKSA-N 324.344 -0.246 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](N(C)C(=O)c2ccc(C(N)=O)[nH]2)C1 939406668 SOLZMQCXCAYFAS-ZJUUUORDSA-N 317.349 -0.054 30 20 DBED C[C@@]1(C(=O)N2CCCN(C(=O)C#CC3CC3)CC2)CCNC1=O 941003591 BCWSVXHHQDLAOD-QGZVFWFLSA-N 317.389 -0.013 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)[C@H](C)C1 945182214 PFQRCEGNHFTCNV-NEPJUHHUSA-N 318.381 -0.773 30 20 DBED C#CCN1CCOC2(CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)C1 949362724 VPHAQKKTSICFCB-CHWSQXEVSA-N 307.350 -0.022 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2CCN2C(=O)[C@@H]2CCOC2)nn1 950052866 NMLCWFYMRHYVIY-VXGBXAGGSA-N 319.365 -0.169 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2CCN2C(=O)c2ncc[nH]2)nn1 950053079 PNELAGVVDVXTQY-JTQLQIEISA-N 315.337 -0.168 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H](NC(=O)CN2CCOCC2=O)C1 951870869 YIGSPMTWKSNLIE-VXGBXAGGSA-N 322.365 -0.888 30 20 DBED C=CCn1cc(C(=O)N(CC)C2CN([C@@H]3CCNC3=O)C2)nn1 952422290 ADTMTTCCJBQUSF-CYBMUJFWSA-N 318.381 -0.501 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@]2(CCN(C(=O)C(N)=O)C2)C1 953209254 HSSDLVXCOPQZRV-BFQNTYOBSA-N 321.377 -0.486 30 20 DBED C#Cc1ccc(C(=O)N2CCN(Cc3nnnn3C)CC2)nc1 957365437 MRADNGYMQVJSRD-UHFFFAOYSA-N 311.349 -0.456 30 20 DBED Cn1nncc1CN1C[C@@H]2C(NC(=O)c3ccc(C#N)[nH]3)[C@H]2C1 958601817 LUJCFFHBJGGHLS-RYUDHWBXSA-N 311.349 -0.125 30 20 DBED N#CCN1C[C@H]2C(NC(=O)C3CC4(C3)CS(=O)(=O)C4)[C@@H]2C1 960547381 KNHQKDHVJITCNL-GHMZBOCLSA-N 309.391 -0.619 30 20 DBED O=C(N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O)c1ccncc1F 962022978 NPUWONFSRPOFBH-KGLIPLIRSA-N 317.320 -0.064 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@H](NC(=O)[C@@H]2CC(=O)N(C)C2)C1 965971102 OWJCOWDUCOIBCN-UTUOFQBUSA-N 323.393 -0.635 30 20 DBED C#CCN1CC([C@@H](C)NC(=O)[C@H]2CN3CC4CC3(CO2)C4)C1 970189375 DQYAHLNDIOOWLS-RZZRIIHNSA-N 303.406 -0.081 30 20 DBED CCc1ncoc1C(=O)N[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1O 970408189 DMWVOGVBXMUUKI-IEBDPFPHSA-N 306.322 -0.302 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2cnon2)C1 973410848 WXWRSMQSDGGPIL-GVXVVHGQSA-N 317.349 -0.456 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)CC3OCCCO3)[C@H]2C1 976407847 HFECLIMIGXFBHM-PUHVVEEASA-N 307.350 -0.128 30 20 DBED C=CCN1CC[C@H](N2CCCN(C(=O)c3cnn[nH]3)CC2)C1=O 981533111 VANGCZDMGANCCQ-ZDUSSCGKSA-N 318.381 -0.261 30 20 DBED C#CCCN1CCC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@@H]1C 993367082 PSGOSONJXHMNNH-RYUDHWBXSA-N 318.381 -0.631 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN(C(=O)c2ccnnc2)C1 994756577 XXJAHWTVCWXVKI-AWEZNQCLSA-N 313.361 -0.485 30 20 DBED C#CCN[C@H]1CN(C(=O)[C@@H]2CC(=O)N(CCOC)C2)CC1(C)C 995868953 FPVQISBCMGYYOC-KGLIPLIRSA-N 321.421 -0.059 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C(N)=O)c1 996008618 MPWLKRVWJDNNQH-YWVKMMECSA-N 301.306 -0.767 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCC(N[C@H](C)C(N)=O)CC1 996687426 WLQUGXKTKWNSNE-OCCSQVGLSA-N 306.410 -0.462 30 20 DBED N#Cc1ccc(C(=O)N2CC(NC(=O)[C@@H]3CCC(=O)N3)C2)[nH]1 997110836 NZOVEAJUOZTZEQ-JTQLQIEISA-N 301.306 -0.894 30 20 DBED C=CCCn1cc(C(=O)N2CCC[C@@H](NCC(N)=O)C2)nn1 1000428239 OSBZIABUTAWRGL-LLVKDONJSA-N 306.370 -0.466 30 20 DBED C[C@H]1C[C@H](C(=O)NCC2CN(C(=O)C#CC3CC3)C2)CC(=O)N1 1003002443 WZTXNQZLSOUTSY-FZMZJTMJSA-N 317.389 -0.111 30 20 DBED C#CCCN1CCC[C@H](NC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 1008015775 NEFYIFLTYPDZRS-JSGCOSHPSA-N 315.377 -0.031 30 20 DBED C=CCN1CC[C@@H](N2CCC[C@@H](NC(=O)c3nc[nH]n3)C2)C1=O 1008923950 JQYVNFUTYNGKJH-VXGBXAGGSA-N 318.381 -0.214 30 20 DBED C=CCN1CC[C@H](N2CC[C@H](NC(=O)c3cnnn3C)C2)C1=O 1010831066 QUAPLDPZWHRAAO-RYUDHWBXSA-N 318.381 -0.594 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCN(C(=O)COC)[C@H]2C)nn1 1011388132 AAAZXTUFZCIRIJ-QWRGUYRKSA-N 307.354 -0.170 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C(=O)c2ccn3nnnc3c2)CC1 1011882158 YTQQERVEUUIBDF-JTQLQIEISA-N 313.321 -0.432 30 20 DBED C[C@@H]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)CN1C(=O)CC(N)=O 1012409129 UVSRADUPLOOPBT-PSASIEDQSA-N 303.322 -0.519 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[nH]2)C1 1015722188 VUJKKCHYGQYGOH-TUAOUCFPSA-N 321.381 -0.610 30 20 DBED C=CCCN1CC[C@@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 1015864541 BAUNKNFYJQZPED-LLVKDONJSA-N 316.365 -0.162 30 20 DBED C#CCN1CCC(C(=O)N[C@H]2CCN([C@@H](C)C(N)=O)C2)CC1 1016330364 SAFCBAGQNCMHKE-JSGCOSHPSA-N 306.410 -0.604 30 20 DBED C[C@H](C#N)C(=O)N1CC=C(CNC(=O)[C@H]2CCNC2=O)CC1 1017619316 XLGWTONZHYKXKM-PWSUYJOCSA-N 304.350 -0.443 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCN(C(=O)CCc3cnn[nH]3)C2)C1 1019366820 JREKAYWXNSKROR-NSHDSACASA-N 316.365 -0.042 30 20 DBED C#CCN1[C@H]2CC[C@H]1CC(NC(=O)C[C@@H]1NC(=O)NC1=O)C2 1021284780 TWCRAQVDFJSYCQ-SRVKXCTJSA-N 304.350 -0.671 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]2CN(C(=O)CCc3cnn[nH]3)C[C@H]21 1022568153 OAQQGAKNXVQDBR-GMXVVIOVSA-N 316.365 -0.044 30 20 DBED CCn1nncc1C(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1023606641 OBFOAHKTUGTVLN-DGCLKSJQSA-N 317.349 -0.987 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2ccc(O)nc2)C1 1024715010 VLUGHYGVFOZAQS-MVWJERBFSA-N 318.333 -0.823 30 20 DBED N#CCN[C@@H]1CC[C@H]2CN(C(=O)CCN3C(=O)CCC3=O)C[C@H]21 1026306326 KQDXYQRLRQDTSK-YNEHKIRRSA-N 318.377 -0.124 30 20 DBED C#CCN1CCO[C@H](CNC(=O)[C@H]2CCn3ccnc3C2)C1 1035418539 IPIMQEDENOKIQV-UONOGXRCSA-N 302.378 -0.104 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2CN(CCCO)CCO2)nc1 1035585153 GJKZVMUCSBVRJV-CQSZACIVSA-N 303.362 -0.124 30 20 DBED C=CCN[C@H]1CCN(C(=O)CN2CCNC(=O)C2)C[C@@H]1CC 1037894555 ZIKDMNKRGAFLPD-KBPBESRZSA-N 308.426 -0.179 30 20 DBED C#CCN[C@H]1CCN(C(=O)CN2CCC(=O)NC2=O)C[C@H]1CC 1037945015 BRUVAMQBSFKLMU-OLZOCXBDSA-N 320.393 -0.222 30 20 DBED C#CCCCC(=O)NC[C@]1(O)CCN(C(=O)c2cnn(C)c2)C1 1039573854 KTGFHYBGASTUJR-MRXNPFEDSA-N 318.377 -0.083 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)Cn2ccnc2)C1 1040214502 OLRVJWBTVQGYOJ-SMDDNHRTSA-N 305.338 -0.878 30 20 DBED C[C@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)c2cncnc2O)C1 1040767488 YCJRVEDYFMYBRB-OTYXRUKQSA-N 319.321 -0.965 30 20 DBED COC[C@@H](OC)C(=O)NC[C@]1(O)CCN(C(=O)C#CC2CC2)C1 1040844273 TWRIJLDUVLPPOT-CZUORRHYSA-N 324.377 -0.859 30 20 DBED N#Cc1cnc(N2C[C@@H](O)[C@H](NC(=O)c3cnsn3)C2)cn1 1040939817 WYJWBBVQSJVEEB-NXEZZACHSA-N 317.334 -0.821 30 20 DBED N#Cc1cnc(N2C[C@@H](O)[C@H](NC(=O)c3cncs3)C2)cn1 1040948976 AFMUNBBXLMXDSB-NXEZZACHSA-N 316.346 -0.216 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)CN2CCCC2=O)C1 1041409989 HLKBJMOSCHRLBU-UHFFFAOYSA-N 323.393 -0.490 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(O)(CNC(=O)c2c[nH]cc2C)C1 1043111994 RZHMGBYFPJCYME-OAHLLOKOSA-N 321.377 -0.047 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)C[C@@H]2CCNC2=O)C1 1044470167 LXAKNFBLQKUJGB-NSHDSACASA-N 323.393 -0.586 30 20 DBED C[C@H]1C[C@@H](NCc2nc(=O)n(C)[nH]2)CCN1C(=O)C#CC1CC1 1044603418 QKIWIGICBSMDDP-AAEUAGOBSA-N 317.393 -0.009 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)Cc2ccco2)C1 1045204925 LNHCZNVSJGXHOT-GFCCVEGCSA-N 320.345 -0.450 30 20 DBED Cc1nn[nH]c1C(=O)NC[C@H]1C[C@H](N=c2cc[nH]c(C#N)n2)C1 1046987722 YDDPODRTKLPFLT-MGCOHNPYSA-N 312.337 -0.183 30 20 DBED C=CCOCC(=O)N1C[C@H]2C[C@@H](NC(=O)CNC(C)=O)C[C@H]1C2 1047248392 KJZAUFBJHLDBBZ-BFHYXJOUSA-N 323.393 -0.179 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CN(CC)CCO2)C1 1047634134 XRJBHOPAAWYSHY-SOUVJXGZSA-N 309.410 -0.766 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCCF)C1 1049220958 YVIILQZENFNJQJ-AGIUHOORSA-N 314.357 -0.196 30 20 DBED C=CCN1CCC2(CC1)CN(C(=O)CN1C(=O)CN(C)C1=O)C2 1050748229 LIXUUMJAMUMBMI-UHFFFAOYSA-N 320.393 -0.009 30 20 DBED C#CCCN1CCOC[C@@H]1CNC(=O)c1cn2c(n1)COCC2 1050982319 PNGMIPYPCKRZQA-ZDUSSCGKSA-N 318.377 -0.133 30 20 DBED C#CCN1CC2(CC[C@H](CNC(=O)c3cc(C(N)=O)co3)O2)C1 1053662344 JZCBNWNNPKAFSH-GFCCVEGCSA-N 317.345 -0.025 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)c3cnnc(O)c3)CO2)C1 1053841162 BIEZGEQQRUTPSW-GFCCVEGCSA-N 302.334 -0.221 30 20 DBED C[C@@H](C(=O)N[C@H]1[C@@H]2CN(c3cnc(C#N)cn3)C[C@@H]21)n1cncn1 1056168112 HXJNYDLPUDHMAD-PQFRYHKHSA-N 324.348 -0.248 30 20 DBED Cn1cc(C(=O)NC2[C@H]3CN(c4cncc(C#N)n4)C[C@H]23)nn1 1056198290 KXVDIRNWUOLSOD-UWVGGRQHSA-N 310.321 -0.659 30 20 DBED CCn1cc(C(=O)NC2[C@H]3CN(c4nccnc4C#N)C[C@H]23)nn1 1056284124 SLJWFLDCMVOELW-UWVGGRQHSA-N 324.348 -0.176 30 20 DBED C[C@@]1(C(=O)N2CC[C@@H](Nc3nccnc3C#N)C2)CNC(=O)C1 1056738422 BLIALXYAVMHODM-BMIGLBTASA-N 314.349 -0.113 30 20 DBED CN(c1nccnc1C#N)[C@H]1CCN(C(=O)c2cn(C)nn2)C1 1056917249 UHGCFZODWJPQNL-JTQLQIEISA-N 312.337 -0.172 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)CCc1cnc[nH]1 1057901302 OPQFPHSPGIRKJB-UHFFFAOYSA-N 320.393 -0.061 30 20 DBED Cn1ncc(C(=O)N[C@@H]2CCCN(c3ccc(C#N)nn3)C2)n1 1058175503 NZHSBEMLVYHJKX-LLVKDONJSA-N 312.337 -0.124 30 20 DBED Cc1cc(C#N)nc(N2CC[C@@H](NC(=O)c3ncn(C)n3)C2)n1 1058348289 BJDLNFSVNRNKIV-SNVBAGLBSA-N 312.337 -0.206 30 20 DBED Cc1cc(CC(=O)NCCN(CCO)C(=O)[C@@H](C)C#N)n[nH]1 1058653337 SPERELALVZVQQN-JTQLQIEISA-N 307.354 -0.643 30 20 DBED Cc1nonc1CC(=O)N(CCO)CCNC(=O)[C@@H](C)C#N 1058688062 DVHBCLYNKSYRJN-VIFPVBQESA-N 309.326 -0.983 30 20 DBED N#Cc1cncc(N[C@H]2C[C@@H](NC(=O)C[C@@H]3CCNC3=O)C2)n1 1059737837 VXJHDERMHBVFRR-GARJFASQSA-N 314.349 -0.066 30 20 DBED Cn1cnc(C(=O)NC[C@H]2CCCN2c2ccc(C#N)nn2)n1 1061348713 KAWSXXSAEXTVBK-LLVKDONJSA-N 312.337 -0.124 30 20 DBED N#Cc1ccc(N2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CNC(=O)N2)nc1 1062569403 KNPGKAZTUIODHP-SDDRHHMPSA-N 312.333 -0.576 30 20 DBED CN(C(=O)[C@H]1COCCO1)[C@@H]1CCN(c2cnc(C#N)cn2)C1 1062887841 YYGUQBKNGBTBDU-CHWSQXEVSA-N 317.349 -0.199 30 20 DBED C=CCOCC(=O)N1CCO[C@@H](CNC(=O)c2nonc2C)C1 1064974365 RRVVRYOZFYOZPT-NSHDSACASA-N 324.337 -0.462 30 20 DBED C#CCCCC(=O)N1CCO[C@@H](CNC(=O)[C@H](C)NC(N)=O)C1 1065092745 LMOPSAVLUOXYKY-RYUDHWBXSA-N 324.381 -0.810 30 20 DBED C[C@@]1(NC(=O)[C@H]2COCCO2)CCN(c2cncc(C#N)n2)C1 1065210559 NWJGPOVFXQPORN-IUODEOHRSA-N 317.349 -0.151 30 20 DBED C=CC(C)(C)C(=O)N1CCO[C@H](CNC(=O)Cn2cncn2)C1 1065426353 QTEHIEGPAZFKRA-GFCCVEGCSA-N 321.381 -0.166 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(C(=O)Cn2cncn2)CCO1 1065638316 LNYYCFFUPCXDSQ-CYBMUJFWSA-N 317.349 -0.965 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@H](NC(=O)COCC)CC1 1065792251 QQJAWOXBLNRFRY-ZDUSSCGKSA-N 323.393 -0.340 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCC[C@H](NC(=O)CC(N)=O)CC1 1066010906 QJGUJFYVMXVPDL-XHDPSFHLSA-N 311.382 -0.314 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CCCN(C(=O)COC)CC1 1066067635 BHEDCSJUVVVXDV-LBPRGKRZSA-N 309.366 -0.730 30 20 DBED C[C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@@H]1N=c1cc[nH]c(C#N)n1 1067161138 KVNDYLBPDVPNNW-ZJUUUORDSA-N 316.365 -0.460 30 20 DBED C[C@H]1[C@H](Nc2ccc(C#N)nn2)CCN1C(=O)Cn1cnnn1 1068776884 LKTLZGXPBLMNKS-GXSJLCMTSA-N 313.325 -0.564 30 20 DBED CC(C)C#CC(=O)N[C@@H]1COC2(C1)CN(C(=O)c1cnn[nH]1)C2 1068853032 IITXDJVBBHJTLS-NSHDSACASA-N 317.349 -0.436 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1n1ccnn1 1070180005 WWWNTXRZFLLWDT-KGLIPLIRSA-N 309.333 -0.234 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2nccc(C)n2)C[C@@H]1n1ccnn1 1070185494 YKOXAWFLOHWWAT-OLZOCXBDSA-N 311.349 -0.335 30 20 DBED CN1CCOC[C@@H]1C(=O)N1C[C@H]2C[C@@H]3CN(CC#N)C[C@]2(C1)O3 1070789511 ASNRXCAEEMXZGI-IXYNUQLISA-N 320.393 -0.858 30 20 DBED CC#CCN1C[C@H]2C[C@@H]3CN(C(=O)[C@@H]4COC(=O)N4)C[C@@]3(C1)O2 1070793784 PXPRRFFCAAAAOK-NFFDBFGFSA-N 319.361 -0.580 30 20 DBED N#CCN[C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCNC2=O)CC1 1071076649 ALAVVMACLKLRMU-MJBXVCDLSA-N 320.393 -0.368 30 20 DBED C[C@@H]1CN(C(=O)c2cnn(C)c2N)C[C@H]1NC(=O)C#CC1CC1 1071948678 KOPGRAFMWUAILQ-ZWNOBZJWSA-N 315.377 -0.008 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1C 1072003446 QNBBPZDBKOGGQT-VXGBXAGGSA-N 319.365 -0.568 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CCN(C(=O)Cn2ncnn2)C[C@H]1C 1073941566 SXOYWDGQXTWOPA-CHWSQXEVSA-N 318.381 -0.314 30 20 DBED N#CCN1CCO[C@@H]2CCN(C(=O)c3nccnc3N)C[C@@H]21 1074195562 WPXXWWFPCKYXGV-WDEREUQCSA-N 302.338 -0.502 30 20 DBED N#CCN1CCO[C@@H]2CCN(C(=O)CCc3cnn[nH]3)C[C@@H]21 1074341033 OXGCKJVASVUEPU-QWHCGFSZSA-N 304.354 -0.437 30 20 DBED CC#CCN1C[C@@H]2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)[C@@H]2C1 1076236992 MZDXULHCRZYUMZ-RFQIPJPRSA-N 305.378 -0.425 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)c2nn3c(c2C)OCCC3)C1 1077098165 RALVYUWFTWEUIE-VXGBXAGGSA-N 306.366 -0.065 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCC(=O)NC2)C1 1077119514 QPTUHJPEZWNYNW-QJPTWQEYSA-N 315.801 -0.184 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)c2ccnn2CCOC)C1 1077196694 GUKFBVALLUBIKM-TZMCWYRMSA-N 306.366 -0.672 30 20 DBED C=CCCn1cc(C(=O)N[C@@H]2CN(CCCF)C[C@H]2O)nn1 1077812891 UFOJXIMXKZUWBC-DGCLKSJQSA-N 311.361 -0.011 30 20 DBED C#CCN[C@H]1C[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C12CCC2 1078630382 XUUBSIZRCXJPJS-WDEREUQCSA-N 316.365 -0.973 30 20 DBED C=CCN[C@H]1C[C@H]2CC[C@H]1N(C(=O)CN1CCNC(=O)C1)C2 1079012987 RULXHDVUYQTTMA-HZSPNIEDSA-N 306.410 -0.427 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)CNC(C)=O)C1 1079228811 BKHIXOBTRINZPG-NSHDSACASA-N 309.366 -0.780 30 20 DBED C=CCOCC(=O)N1CC(N(CC)C(=O)Cc2n[nH]c(C)n2)C1 1079745975 WBOOZZDQHHGFPK-UHFFFAOYSA-N 321.381 -0.082 30 20 DBED CCN(C(=O)[C@H]1CCNC1=O)C1CN(C(=O)CSCC#N)C1 1080217649 JPIJMVIULBFISS-NSHDSACASA-N 324.406 -0.561 30 20 DBED CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)CCn2ccnn2)C1 1080410954 AXYDUZLZFPVQFN-NSHDSACASA-N 304.354 -0.113 30 20 DBED CC(C)C#CC(=O)N1C[C@H](CNC(=O)c2cn(C)cn2)[C@@H](O)C1 1081407095 CSZJWPHIBSVQGN-JSGCOSHPSA-N 318.377 -0.371 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)CC(C)(C)O)C[C@@H]1O 1081462556 BRPKDSROGNNWSU-OLZOCXBDSA-N 310.394 -0.258 30 20 DBED Cn1cc(C(=O)N2C[C@H](CNC(=O)C#CC3CC3)[C@@H](O)C2)cn1 1081468538 LICUZXGNYHFJEA-JSGCOSHPSA-N 316.361 -0.617 30 20 DBED C=CCOCC(=O)N1C[C@H](CNC(=O)C#CC2CC2)[C@@H](O)C1 1081471147 JTJWCBFPNMDUOJ-KBPBESRZSA-N 306.362 -0.462 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(C(=O)/C(C)=C\C)C[C@@H]1O 1081488439 IFSFRRJCQMTTNM-YCYRZOEZSA-N 308.378 -0.072 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](O)[C@H](CNC(=O)CN2CCCC2)C1 1081499053 IBFWFXOVUQOCIO-HUUCEWRRSA-N 321.421 -0.323 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2ccncn2)C1 1081684677 JCGLEWBKQVNQAP-DGCLKSJQSA-N 304.350 -0.008 30 20 DBED C=CCCC1(C(=O)NC[C@H]2CN(C(=O)CC(N)=O)C[C@@H]2O)CC1 1081742269 RPPBGCDDHRSGLJ-RYUDHWBXSA-N 323.393 -0.456 30 20 DBED C=CCC1(C(=O)NC[C@H]2CN(C(=O)CC(N)=O)C[C@@H]2O)CCC1 1081742281 RRJVYJHVIUFUGO-RYUDHWBXSA-N 323.393 -0.456 30 20 DBED C=C(C)CN1C[C@@H](NC(=O)c2cn(C)c(=O)nc2O)[C@H](OC)C1 1082366940 DSNUBKUSGSSFNG-VXGBXAGGSA-N 322.365 -0.509 30 20 DBED C=CCn1cc(C(=O)N2CCO[C@@H]3CN(CCF)C[C@@H]32)nn1 1083217518 CENXTPYOLZVRQO-QWHCGFSZSA-N 309.345 -0.041 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CCc2nncn2C1 1083283342 VYVWGWKVVPMOAU-FRRDWIJNSA-N 316.365 -0.724 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)Cc2ccc(C(N)=O)nc2)C1 1083569939 XIYSLCURGGNJGB-KGLIPLIRSA-N 318.377 -0.540 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCc3nncn3CC2)C1 1083652898 MBZIHYUQERJSBU-UPJWGTAASA-N 305.382 -0.422 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)c2nc(O)nc(O)c2OC)C1 1083949926 SMKDDPKCLWDKBU-BDAKNGLRSA-N 324.337 -0.753 30 20 DBED C#CCCN1CC[C@@H]2CN(C(=O)[C@@H]3COCCN3C(C)=O)[C@@H]2C1 1084841422 VDHLPOAGGRZFCC-OAGGEKHMSA-N 319.405 -0.210 30 20 DBED CC1(C)CC[C@H](CNC(=O)[C@@H]2CC(=O)NC(=O)N2)N(CC#N)C1 1089704917 ZOPGIBZNUPUNQA-MNOVXSKESA-N 321.381 -0.285 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2cccc3nc(O)[nH]c23)[C@@H](O)C1 1090334024 OCTZEKYRXRTNJS-PWSUYJOCSA-N 315.333 -0.043 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2cnc3n2CCOC3)[C@@H](O)C1 1090337429 RDYZMJVUVNFXOP-OCCSQVGLSA-N 318.377 -0.398 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2cc(O)nc(C3CC3)n2)[C@H](O)C1 1090341403 HZDAJQOIQGXFLL-DGCLKSJQSA-N 316.361 -0.142 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)CCCC(N)=O)C2)cn1 1090442632 DJWFFMGPSGZJCC-CHWSQXEVSA-N 317.349 -0.725 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2cccn(C)c2=O)[C@@H](O)C1 1090738053 VWLLLXIWENAMGR-KGLIPLIRSA-N 303.362 -0.426 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)c3cnn(C)n3)c3nccn32)C1 1092401785 HZPLDHAWRXLKIL-LLVKDONJSA-N 311.349 -0.470 30 20 DBED C#CCCN1CC(OC2CCN(C(=O)Cn3ncnn3)CC2)C1 1093535927 COODRKKOEMMIFE-UHFFFAOYSA-N 318.381 -0.612 30 20 DBED C#CCN1CC(OC2CCN(C(=O)[C@@H]3CCC(=O)N3C)CC2)C1 1093561130 AUVCIORYTWSIEE-HNNXBMFYSA-N 319.405 -0.068 30 20 DBED CC(=O)N1CCOC[C@H]1C(=O)NCCNc1cnc(C#N)cn1 1093653332 MVTAKOBANXNJJU-LBPRGKRZSA-N 318.337 -0.876 30 20 DBED CO[C@@H]1COCC[C@H]1CC(=O)NCCN=c1cc[nH]c(C#N)n1 1093934907 IOMTXUVRLALIDK-NWDGAFQWSA-N 319.365 -0.260 30 20 DBED Cc1nsc(NCCNC(=O)[C@H]2CN(C)C(=O)N2)c1C#N 1094060273 AAMZFDWXGDLUIV-SECBINFHSA-N 308.367 -0.125 30 20 DBED N#Cc1nc(=NCCNC(=O)Cn2ncc3cccnc32)cc[nH]1 1094274458 NQTUKTJGJYUNDF-UHFFFAOYSA-N 322.332 -0.257 30 20 DBED C#CCCN1CCN(C(=O)[C@@H](C)OC)[C@@H]2CS(=O)(=O)C[C@@H]21 1094612954 VLPQWTIAUVPGBO-FRRDWIJNSA-N 314.407 -0.646 30 20 DBED C#CCN1CCN(C(=O)c2coc(C)n2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094626091 QSBYCZXOXNVFGU-QWHCGFSZSA-N 323.374 -0.460 30 20 DBED C#CCCN1CC(N2C[C@@H](NC(=O)Cc3cc[nH]n3)CC2=O)C1 1094718330 ZSBCPAHGMFBHLY-ZDUSSCGKSA-N 315.377 -0.623 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)c3ccc(C#C)cn3)CC2=O)C1 1094806795 ZZIRYRIUDZHSGR-AWEZNQCLSA-N 322.368 -0.289 30 20 DBED CN1C[C@@H](C(=O)NCCCNc2nccnc2C#N)CC1=O 1094847556 VFFBNAZXZHRICF-JTQLQIEISA-N 302.338 -0.255 30 20 DBED N#CCN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN1CCC(=O)NC1=O)C2 1095034175 KQLAMZDVSLAJGB-SRVKXCTJSA-N 319.365 -0.579 30 20 DBED C[C@H](CNC(=O)CNC(=O)C1CC1)Nc1nccnc1C#N 1097686692 LBMWEZXPPVCNQJ-SECBINFHSA-N 302.338 -0.209 30 20 DBED CCC[C@@H](NC(N)=O)C(=O)NC[C@@H](C)N=c1cc[nH]c(C#N)n1 1097979639 CXOXILQDRPKOQL-NXEZZACHSA-N 319.369 -0.476 30 20 DBED C[C@H](CNC(=O)C(=O)NCC(F)F)N=c1cc[nH]c(C#N)n1 1098135212 OWRHGGYEMOGFFR-SSDOTTSWSA-N 312.280 -0.932 30 20 DBED C[C@@H](CNC(=O)[C@]1(C)CCNC1=O)Nc1cnc(C#N)cn1 1098261825 SYMJBIDFOFNIDG-LKFCYVNXSA-N 302.338 -0.209 30 20 DBED COCC(=O)NCCC(=O)NC[C@H](C)N=c1cc[nH]cc1C#N 1098329643 KMFUNLNQTIVNKF-NSHDSACASA-N 319.365 -0.556 30 20 DBED C=CCNC(=O)CN1CC(C)(C)CC[C@H]1CNC(=O)C(N)=O 1099203887 SKAYNTIAVFLXJZ-NSHDSACASA-N 310.398 -0.619 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CCN(CC(=O)N2CCC2)C[C@@H]1O 1099812195 CCTYFVSMBNWMSS-KGLIPLIRSA-N 305.378 -0.817 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)CNC(=O)N2CCCC2)[C@H](O)C1 1099830347 QFBLPSRBXITXNP-ZIAGYGMSSA-N 324.425 -0.081 30 20 DBED CN(CCNC(=O)[C@@H]1CCS(=O)(=O)N1)c1ccc(C#N)cn1 1100120723 NCBMXPOLXPUFSE-NSHDSACASA-N 323.378 -0.803 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)[C@@H]2CCO[C@H]2C=C)C1 1100686790 SBPZLNFSRPEYET-CVSAEHQPSA-N 319.405 -0.189 30 20 DBED C#CCNC(=O)[C@H](C)NC1CC(CNC(=O)c2cnon2)C1 1100773992 YKCQPNVKXSDUOD-WHXUTIOJSA-N 305.338 -0.695 30 20 DBED N#Cc1cnccc1N1CC[C@@H](CNC(=O)Cn2cnnn2)C1 1100928099 WWNWHKVKYGJVLC-NSHDSACASA-N 312.337 -0.418 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CN(C(=O)CC(C)(C)O)C[C@]2(C)C1 1101213898 CVULXPRLQFFSMN-DYVFJYSZSA-N 321.421 -0.323 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)CCc1cnn[nH]1 1101960286 LOESIAWPJPFKTN-UHFFFAOYSA-N 300.326 -0.609 30 20 DBED C=CCN1C[C@@H](C)[C@H](CNC(=O)Cn2cnc(C(N)=O)n2)C1 1101985070 YQVUUYRNZVPNOV-GHMZBOCLSA-N 306.370 -0.753 30 20 DBED N#Cc1cnccc1N1CC[C@H](CCNC(=O)CNC(N)=O)C1 1102282946 KFHYNVVEVCSEGS-NSHDSACASA-N 316.365 -0.046 30 20 DBED C[C@H](CC(N)=O)C(=O)N(C)[C@H]1CCN(c2ccc(C#N)nn2)C1 1102752324 FFEZQMBPJBJCMT-PWSUYJOCSA-N 316.365 -0.103 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1CCNC(=O)CC(C)(C)O 1102934437 ZYOFHMQYIIZMOV-CHWSQXEVSA-N 324.425 -0.139 30 20 DBED CC[C@@H](CNC(=O)[C@@H]1CC(=O)N(C)C1)N=c1cc[nH]c(C#N)n1 1103353190 WRNWDPONTKUSJJ-MNOVXSKESA-N 316.365 -0.445 30 20 DBED C[C@@H]1CN(C(=O)c2nnc(O)nc2O)C[C@H]1CCNCC#N 1104388042 BHWWZCNBRHAKGG-RKDXNWHRSA-N 306.326 -0.506 30 20 DBED C[C@@H](CNc1cnc(C#N)cn1)N(C)C(=O)[C@H]1COCCN1C 1104526810 HSGZRLOBOYROBO-WCQYABFASA-N 318.381 -0.062 30 20 DBED C#CCNCC[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1C 1104673129 SQMJNXVGAKNVJC-YIYPIFLZSA-N 307.394 -0.273 30 20 DBED Cc1nn(CC(=O)N2C[C@@H](C)[C@H](CCNCC#N)C2)c(=O)n1C 1104966893 JPVQRLZGJJXDNE-DGCLKSJQSA-N 320.397 -0.512 30 20 DBED CC#CCNCc1cn(C2CN(C(=O)c3cn(C)cn3)C2)nn1 1105211046 FIBQJTTWLGFYSJ-UHFFFAOYSA-N 313.365 -0.178 30 20 DBED C#CCCNCc1cn(C2CN(C(=O)c3ncn(C)n3)C2)nn1 1105230539 LQLFCSXEWUOVER-UHFFFAOYSA-N 314.353 -0.783 30 20 DBED C[C@@H]1CCCN1CC(=O)N1CC(n2cc(CNCC#N)nn2)C1 1105326708 CODHPZKCLHSYDY-GFCCVEGCSA-N 317.397 -0.241 30 20 DBED Cc1ccoc1C(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1 1105746451 CYYBNNQOJHQVBJ-JTQLQIEISA-N 301.306 -0.126 30 20 DBED COc1cc(C(=O)NC[C@H](O)CNc2cnc(C#N)cn2)on1 1105795328 YGFGKUGCWIUBGA-SECBINFHSA-N 318.293 -0.452 30 20 DBED CCn1nccc1C(=O)NC[C@@H](O)CNc1ccc(C#N)nn1 1105800108 GUCVOMLPGSTXEG-NSHDSACASA-N 315.337 -0.233 30 20 DBED CC1(C(=O)NC[C@H](O)CN=c2cc[nH]c(C#N)n2)CCOCC1 1105900893 XVZBEUUVQORJBB-LLVKDONJSA-N 319.365 -0.524 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@H](O)CNc1nc(C)ns1 1106153841 ATKXFSOATGVHHC-NEPJUHHUSA-N 323.422 -0.167 30 20 DBED CCC(=O)NCC(=O)NC/C=C/CN=c1cc[nH]c(C#N)n1 1107078311 IEFYHFUMBKDLKN-ONEGZZNKSA-N 302.338 -0.619 30 20 DBED CN1CCOC[C@@H]1C(=O)NC/C=C\CNc1ccc(C#N)nn1 1107162040 PGMWSYMZIRTZOI-XQJDBVBESA-N 316.365 -0.237 30 20 DBED COCC(=O)N(C)CC(=O)NC[C@]12CCC[C@H]1N(CC#N)CC2 1107426031 BYPXHVGHWZFJBM-CZUORRHYSA-N 322.409 -0.024 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@]1(C)CN(CCCO)CCO1 1107903575 WGUXVJCWNDXHDR-LSDHHAIUSA-N 300.399 -0.097 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@]1(C)CN(Cc2cnon2)CCO1 1107940941 ZAXGGFUUFKYTII-SWLSCSKDSA-N 322.365 -0.185 30 20 DBED CC(C)C[C@H](C(N)=O)C(=O)N[C@@H](C)CN=c1cc[nH]c(C#N)n1 1108440356 TVRCXWDVHLMCHX-WDEREUQCSA-N 318.381 -0.166 30 20 DBED COCCCN1CC(N2C[C@H](NC(=O)[C@@H](C)C#N)CC2=O)C1 1108527383 ICDKPSZRLDMWCK-NWDGAFQWSA-N 308.382 -0.416 30 20 DBED C=C(C)CCC(=O)N[C@H]1CC(=O)N(C2CN(CC(=O)NC)C2)C1 1108547945 AJJNUTLCORKVNE-LBPRGKRZSA-N 322.409 -0.510 30 20 DBED C[C@@H](CN(C)c1cncc(C#N)n1)NC(=O)[C@H]1CCC(=O)N1C 1109187904 VHAFWXXAJDWBLK-CMPLNLGQSA-N 316.365 -0.090 30 20 DBED N#Cc1ccc(NC2CCN(CCNC(=O)C(N)=O)CC2)cn1 1111322739 YZAJNQORHLNAIQ-UHFFFAOYSA-N 316.365 -0.569 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)CCN(C)CC)CC1 1113495637 QKCHMLPLLFQRAV-CQSZACIVSA-N 308.426 -0.390 30 20 DBED C[C@H](CNC(=O)[C@H]1CCC(=O)N1)N(C)c1ccc(C#N)nn1 1113543686 ZPXHWBYTUSRZPI-MWLCHTKSSA-N 302.338 -0.432 30 20 DBED CCN(CCC#N)C(=O)CN1C[C@H]2[C@H](NC(=O)[C@H](C)OC)[C@H]2C1 1113952608 HEGWXQNTGPVSBP-RMRHIDDWSA-N 322.409 -0.170 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)c3nnn(C)c3C)[C@@H]2C1 1114091399 VZKQLTJHLDLNJQ-VXGBXAGGSA-N 303.366 -0.567 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)c3cc4n(n3)CCO4)[C@@H]2C1 1114412221 SWTLNCZIWZZUPF-VXGBXAGGSA-N 316.361 -0.415 30 20 DBED N#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3ccc(Cl)[nH]3)[C@H]2C1 1114795955 COQUKLNNMVUSPI-IUCAKERBSA-N 321.768 -0.032 30 20 DBED CC#CCN1C[C@@H]2C(NC(=O)COCc3ncnn3C)[C@H]2C1 1115047573 YSYFQRZYOAFALL-RYUDHWBXSA-N 303.366 -0.599 30 20 DBED CCCC(=O)NCC(=O)NC[C@H](CO)Nc1ccc(C#N)nn1 1121156781 DUJACXUHRBRZGC-LLVKDONJSA-N 320.353 -0.846 30 20 DBED Cc1cc(=N[C@@H](CO)CNC(=O)Cc2cc[nH]n2)c(C#N)c[nH]1 1121398305 GZYOUTYIZIFORD-CYBMUJFWSA-N 314.349 -0.462 30 20 DBED CCCN(C)CCC(=O)NC[C@@H](CO)Nc1cncc(C#N)n1 1121841184 ZDDWKABSGKVMBX-ZDUSSCGKSA-N 320.397 -0.031 30 20 DBED CCN(C)CCC(=O)NC[C@@H](CO)N=c1cc[nH]cc1C#N 1122027740 JRXQSDDSJZONFY-ZDUSSCGKSA-N 305.382 -0.394 30 20 DBED CN(CC(=O)NC[C@@H](CO)Nc1nccnc1C#N)C1CCC1 1122741471 XTQOPGXVZSAFLO-NSHDSACASA-N 318.381 -0.278 30 20 DBED C[C@H](C#N)C(=O)N(C)C[C@H](O)CNc1ncnc2c1cnn2C 1124191705 OUJLOMUNYYBJAN-NXEZZACHSA-N 317.353 -0.246 30 20 DBED CN(C[C@H](O)CNc1ccc(C#N)nc1)C(=O)C1(C(N)=O)CC1 1124699311 QCEACGBCPUHHKK-GFCCVEGCSA-N 317.349 -0.550 30 20 DBED COC[C@@H](OC)C(=O)N(C)C[C@H](O)CNc1ccc(C#N)nn1 1124721457 NQXZWQSYNRNKJU-VXGBXAGGSA-N 323.353 -0.759 30 20 DBED CO[C@@H](C)C(=O)N(C)C[C@@H](O)CN(C)c1cnc(C#N)cn1 1124956122 AVMZICNWLHKOSN-JQWIXIFHSA-N 307.354 -0.361 30 20 DBED COCCCNC(=O)[C@@H](C)NCCNC(=O)c1c[nH]c(C#N)c1 1125977728 FJGUFRJMFLOQQD-LLVKDONJSA-N 321.381 -0.253 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)C1(c2ccccn2)CC1 1127245669 JDMIYEOFCCIHKU-ZDUSSCGKSA-N 314.389 -0.043 30 20 DBED C=CCCCN[C@@H]1CN(C(=O)C(N)=O)C[C@H]1c1cn(C)cn1 1130659399 KTOIUDKYBDKLAT-WCQYABFASA-N 305.382 -0.244 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1C[C@H]1C1CCOCC1 1131247363 HACZQIUDXYKKBD-AEGPPILISA-N 321.421 -0.107 30 20 DBED C=CCNC(=O)CNCCNC(=O)Cn1ncc2cccnc21 1131497391 ZBWGUSJFYPUADO-UHFFFAOYSA-N 316.365 -0.561 30 20 DBED COCC#CCNCCNC(=O)c1c(C)c(C)nn(C)c1=O 1132174172 CCYHHUGMUCRUFA-UHFFFAOYSA-N 306.366 -0.634 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1nccn2ccnc12 1134007684 HSVAPXHPUJCVDF-LLVKDONJSA-N 314.349 -0.813 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)C[C@H](C)n1ccnc1 1134517902 WFTGYHGLGDGRMC-STQMWFEESA-N 305.382 -0.322 30 20 DBED C#CCCN[C@H](C)C[C@@H](C)NC(=O)CNS(=O)(=O)N(C)C 1135568439 NLGGDUKNTJLVCX-VXGBXAGGSA-N 318.443 -0.721 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)CCCC(N)=O 1146753796 BDFIYEYZHKBHHX-VXGBXAGGSA-N 310.398 -0.736 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1csc(Cl)n1 1146813667 IJOCRYWMWZXGMM-UHFFFAOYSA-N 301.759 -0.244 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCN([C@@H](C)C(=O)NC(N)=O)C2)C1 1147256206 OJKWVEWAQBBCDL-UWVGGRQHSA-N 307.354 -0.736 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)Cc2cncn2C)C1=O 1147872006 WSXOLTKCPVAKEY-ZDUSSCGKSA-N 305.382 -0.545 30 20 DBED N#Cc1cccc(CNCCNC(=O)CN2C(=O)CCC2=O)c1 1150472933 MEADCQKASFKMHZ-UHFFFAOYSA-N 314.345 -0.087 30 20 DBED C[C@@H](C(=O)NC[C@@H]1CN(CC#N)CCCO1)N1CCOCC1 1150841967 OXENCVRJOLXKOE-UONOGXRCSA-N 310.398 -0.562 30 20 DBED N#CCNC(=O)CNCCNC(=O)COc1cccc(F)c1 1150902008 CCNCXYCZENHDGO-UHFFFAOYSA-N 308.313 -0.450 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)NCCNCc1nnc(C)o1 1152398705 GOKCSIWPKCBSDR-UHFFFAOYSA-N 324.385 -0.152 30 20 DBED C=CCNC(=O)NC(=O)CN(CC)[C@H](C)CNC(=O)[C@H](C)C#N 1152449550 DINWOQVMZOZAHA-VXGBXAGGSA-N 323.397 -0.016 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)[C@H](C)N2CCOCC2)C1=O 1153845283 XJYZWIDVQHJYEU-KBPBESRZSA-N 324.425 -0.800 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)CCC(=O)NCC)C1=O 1155672750 KQUOCYIJPBNNNH-CYBMUJFWSA-N 324.425 -0.215 30 20 DBED C#CCO[C@H](C)C(=O)NCCC1=CCN(CC(=O)NC)CC1 1160112668 RRVRACYIMRAYOR-CYBMUJFWSA-N 307.394 -0.091 30 20 DBED C=CCN(CC=C)C(=O)CNCCCNC(=O)C(C)(C)C(N)=O 1160408526 KGXDKGCCDMGRPF-UHFFFAOYSA-N 324.425 -0.206 30 20 DBED CCc1cccnc1C(=O)NCCCNCC(=O)NCC#N 1161518425 BJFUMEUJRGMFJZ-UHFFFAOYSA-N 303.366 -0.007 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1cc(CCC)[nH]n1 1163691758 KSRLHDIOPOGKNU-UHFFFAOYSA-N 305.382 -0.179 30 20 DBED C#CCNC(=O)CNCCCNC(=O)C[C@@H](OC)C(F)(F)F 1170352288 DAHGFQDERQKTBM-SNVBAGLBSA-N 323.315 -0.201 30 20 DBED C=C(C)CNCCCNC(=O)CN1CCS(=O)(=O)CC1 1176019100 PQMDYPNDRMJGBO-UHFFFAOYSA-N 303.428 -0.611 30 20 DBED Cc1ncc(C(=O)N2CC[C@H](NCC(=O)NCC#N)[C@@H]2C)[nH]1 1178346598 QCCXDGXAALNKHR-ONGXEEELSA-N 304.354 -0.450 30 20 DBED C=CCNC[C@]1(C)CN(C(=O)Cn2c(O)nnc2O)C[C@H]1C 1183291086 FROKQBDSALIKDU-QMTHXVAHSA-N 309.370 -0.051 30 20 DBED C=CCC[C@H](C)N[C@@H]1CCN(C(=O)CNC(=O)CNC(C)=O)C1 1183722359 RDZIBTTVOOBXEY-GXTWGEPZSA-N 324.425 -0.216 30 20 DBED N#CCNC(=O)CN[C@@H]1CCN(C(=O)CCc2cn[nH]c2)C1 1186206195 MKGJGEABCNTHME-GFCCVEGCSA-N 304.354 -0.827 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)[C@H]2COCCN2C(C)=O)C1 1187962017 YBWRLGJVFWFSPL-HUUCEWRRSA-N 323.393 -0.926 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)C[C@H]2CCCO2)C1 1189011789 GFWMZRCUYPWYIR-ZIAGYGMSSA-N 307.394 -0.162 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2ccccn2)C1 1190639579 VSUHJKRXKQYJLO-CHWSQXEVSA-N 304.350 -0.841 30 20 DBED N#CCSCC(=O)N[C@@H]1CN(C[C@H]2CCCCO2)C[C@H]1O 1191149156 GIXXHSSCPRRGOU-JHJVBQTASA-N 313.423 -0.026 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)c2csnc2C)C1 1192263338 QZZSYZFDZHZVDQ-CHWSQXEVSA-N 309.391 -0.124 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)Cc2cncn2C)C1 1193462307 NAYSGXUDFIJDFL-CYBMUJFWSA-N 317.393 -0.755 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)COCc2ccnc(OC)c2)C1 1194118397 FOAQNWUPSUOTPE-ZIAGYGMSSA-N 321.377 -0.046 30 20 DBED COCC#CCN(C)[C@H]1CCN(C(=O)C[C@@H]2CC(=O)NC2=O)C1 1194542950 AJOFDMHOSDTBTK-STQMWFEESA-N 321.377 -0.778 30 20 DBED Cc1ncc(C(=O)N2CCCN(CC(=O)NCC#N)CC2)[nH]1 1195260454 JTEZXIVKLPOUSC-UHFFFAOYSA-N 304.354 -0.494 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)C2CN(C(C)=O)C2)CC1 1195619918 GOUGEMFXSAPMHS-UHFFFAOYSA-N 322.409 -0.699 30 20 DBED N#CCNC(=O)CN1CCCN(C(=O)Cc2cscn2)CC1 1197346080 GSJOQSRBVMYJBZ-UHFFFAOYSA-N 321.406 -0.140 30 20 DBED CNC(=O)CNC[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)CCCO1 1200312767 VZWXHBLACJTYNF-CYBMUJFWSA-N 319.365 -0.547 30 20 DBED C#Cc1ccc(C(=O)N2CCCO[C@H](CNCC(N)=O)C2)cc1 1201120229 MFKALVJCRWYEPO-OAHLLOKOSA-N 315.373 -0.026 30 20 DBED C[C@@H]1CCCN(C(=O)C(=O)N2CCCO[C@H](CNCC#N)C2)C1 1201576804 OSTCAZQYKOXTJX-ZIAGYGMSSA-N 322.409 -0.024 30 20 DBED C[C@H](NCC1CCN(C(=O)C#CC2CC2)CC1)C(=O)NC(N)=O 1205230575 QSNYVRIMDHIMSE-NSHDSACASA-N 320.393 -0.189 30 20 DBED CC#CCNCC1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)CC1 1205479691 SOASRLAUWPOSPS-LBPRGKRZSA-N 306.366 -0.564 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)c2cnn(C)c2)C1 1207241964 JJQGPYJERZNGSO-ZDUSSCGKSA-N 303.366 -0.636 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@H]2CCCCO2)C1 1207807364 MAUDIJRIRZQFHR-ZIAGYGMSSA-N 307.394 -0.115 30 20 DBED N#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)/C=C/c2ccco2)C1 1219114105 MYPZUWDWLRJYDA-HNFMAKEJSA-N 318.333 -0.906 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2nc(C)oc2C)C[C@@H]1O 1219605065 IDLRGUSAQDECIK-GLQYFDAESA-N 321.377 -0.009 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)CCCN2C(=O)CCC2=O)C1 1219746384 RIXMWCPXEDOBNV-NEPJUHHUSA-N 309.366 -0.737 30 20 DBED CNC(=O)NCCC(=O)NCC1CCN(CC#CCOC)CC1 1223074336 LLLWIWHLCUOHHY-UHFFFAOYSA-N 324.425 -0.217 30 20 DBED COCC#CCN1CCC(CNC(=O)[C@@]2(C)CNC(=O)C2)CC1 1223904098 ONZDCGBGPYLZFW-QGZVFWFLSA-N 321.421 -0.009 30 20 DBED C[C@@H](C(=O)NC(N)=O)N(C)CCCNC(=O)CSCC#N 1234161654 GDWYOCQSPSSQSH-VIFPVBQESA-N 315.399 -0.735 30 20 DBED C=CCn1nnnc1SCc1cc(=O)n2nc(N)[nH]c2n1 1251326034 INJJRKFENLTKKP-UHFFFAOYSA-N 305.327 -0.535 30 20 DBED C=CCCC[C@@H](C)NC(=O)C(=O)NCCCN1C(=O)CNC1=O 1258248082 NRUPSJQKZLAHAQ-LLVKDONJSA-N 324.381 -0.095 30 20 DBED CC(C)n1c(S)nnc1CNC(=O)Cn1cnc(C#N)n1 1319447428 PXJHZLYWZWLFFH-UHFFFAOYSA-N 306.355 -0.073 30 20 DBED C=CC[C@H](NC(=O)[C@H](NC(=O)C1CC1)[C@@H](C)O)C(=O)OCC 1320131106 BSXGSMYCVBJZLY-ADEWGFFLSA-N 312.366 -0.114 30 20 DBED COCCn1cc(NC(=O)C(=O)NC[C@H](C)C#N)ccc1=O 1320597340 LMUPZSVWAUZYEA-SNVBAGLBSA-N 306.322 -0.291 30 20 DBED CC#CCCNC(=O)C(=O)N[C@@H](CC)C(=O)N1CCOCC1 1323574908 XAGFNFWPWRKJSL-LBPRGKRZSA-N 309.366 -0.730 30 20 DBED C=CCn1cc(CNC(=O)C(=O)NCCC2=CCNCC2)nn1 1326583864 OBLBGCCMTYRJHI-UHFFFAOYSA-N 318.381 -0.494 30 20 DBED C=CCn1nnnc1N1CCCN(C(=O)CNC(C)=O)CC1 1332938714 GVFIZNOVIJQYKD-UHFFFAOYSA-N 307.358 -0.966 30 20 DBED N#C[C@H]1CCCN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1 1336516564 FZWXVKSUTIMDBX-TZMCWYRMSA-N 315.377 -0.053 30 20 DBED N#CCNC(=O)CNC(=O)CCn1cnc2sccc2c1=O 1341881540 BNISGITWJGGBBC-UHFFFAOYSA-N 319.346 -0.396 30 20 DBED CC(C)c1cnc(NC(=O)C(=O)NCC(=O)NCC#N)s1 1346617734 OYDZTOQTMIEWDR-UHFFFAOYSA-N 309.351 -0.039 30 20 DBED C#CCN1CCN(c2nnc([C@H]3CCNC(=O)C3)n2C)CC1 1350843294 VNMXXPLROGATFH-LBPRGKRZSA-N 302.382 -0.436 30 20 DBED CC(C)C(=O)NCCN(C)C(=O)Cn1cc(C#N)c(O)nc1=O 1362466338 OODYTEIKPIJJEC-UHFFFAOYSA-N 321.337 -0.949 30 20 DBED C[C@H](C(=O)N1CCS(=O)(=O)[C@H]2CCC[C@H]21)n1cnc(C#N)n1 1363218820 DGABTYCVAGZJMO-MXWKQRLJSA-N 323.378 -0.111 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@H](NC(=O)CCCC(N)=O)C2)c1 1372293034 VSBUXNQFDBUQKM-NSHDSACASA-N 317.349 -0.127 30 20 DBED CC(=O)NCC(=O)NC[C@H](O)CNCc1ccc(C#N)cc1F 1374575563 ZEXZVVQHNGWZSE-CYBMUJFWSA-N 322.340 -0.600 30 20 DBED C[C@@H](C#N)C(=O)NCCN1CCN([C@@H](C)c2nnnn2C)CC1 1376075795 BPBQKRBXRCTUFR-RYUDHWBXSA-N 320.401 -0.835 30 20 DBED CCN(CCC#N)C(=O)CN(C)CCNC(=O)c1cncnc1 1377142621 YAOBMRCABXMMCN-UHFFFAOYSA-N 318.381 -0.100 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](C1CC1)N(C)C(=O)c1ncn(C)n1 1381719742 DJJZAONQTZPICH-MWLCHTKSSA-N 304.354 -0.058 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C(=O)c1cc(=O)n(C)cn1)C1CC1 1387529312 VKOTZZAKROUENQ-JTQLQIEISA-N 317.349 -0.339 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1cc(CN(C)C)on1 1389117274 VYNZKSORBVEEIO-UWVGGRQHSA-N 323.353 -0.897 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](C)NC(=O)COCc1nncn1C 1400070761 JJUZEMFHKVQJAC-VHSXEESVSA-N 308.342 -0.888 30 20 DBED N#Cc1ccccc1CN1CC(NC(=O)CCn2cnnn2)C1 1400418803 ODHOZYGAYXFFAP-UHFFFAOYSA-N 311.349 -0.065 30 20 DBED CCC(=O)N1CCO[C@H](CNCC(=O)N(CC)CCC#N)C1 1407837495 VAGJFRWXBNYFRI-CYBMUJFWSA-N 310.398 -0.024 30 20 DBED COCCN(CCNC(=O)[C@H](C)C#N)C(=O)c1cnccn1 1428425182 PVHGQHQYHGGVPG-LLVKDONJSA-N 305.338 -0.159 30 20 DBED CCS(=O)(=O)NCC(=O)NCC[C@@H](C)NC(=O)[C@@H](C)C#N 1431030476 NEJSHHLBHSKFJL-VHSXEESVSA-N 318.399 -0.904 30 20 DBED CCS(=O)(=O)N[C@@H](C)C(=O)NCCN(C)C(=O)[C@@H](C)C#N 1431291651 KUIWMELTRKYNPZ-UWVGGRQHSA-N 318.399 -0.952 30 20 DBED Cc1nc(CC(=O)NC[C@@H]2CCCN2C(=O)[C@H](C)C#N)n[nH]1 1431755583 IMGGXRQQQJVBSM-KOLCDFICSA-N 304.354 -0.078 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)c2coc(C(N)=O)c2)CC1 1433981985 YZYBVBVFXCDLDI-MRVPVSSYSA-N 304.306 -0.083 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)c2cccnc2)C1 1434326980 JSBNSTHWSOTSSU-XHDPSFHLSA-N 302.334 -0.066 30 20 DBED C=C(Br)CNC[C@@H](O)CN(C)C(=O)c1cnn[nH]1 1441991000 HBWKZMMFRNEJRD-MRVPVSSYSA-N 318.175 -0.264 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1)N(C)C(=O)c1cc(C#N)c[nH]1 1442873991 IXVTVNZNMLMSHY-ONGXEEELSA-N 317.349 -0.258 30 20 DBED C[C@H](C#N)C(=O)NC1CC(N(C)C(=O)c2cnn(C)c2N)C1 1445017433 MQBZLKDATLUIFL-XNWIYYODSA-N 304.354 -0.119 30 20 DBED CO[C@H](C)CCC(=O)NC[C@@H](O)CNC(=O)c1cc(C#N)c[nH]1 1501478892 CMPOKFGGZOHFRG-ZYHUDNBSSA-N 322.365 -0.092 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@](C)(NC(=O)CS(C)(=O)=O)C1 1506414055 PGZVSGZUYIURMJ-SKDRFNHKSA-N 301.368 -0.702 30 20 DBED N#CCNC[C@H]1CCCN1C(=O)CCCN1C(=O)CNC1=O 1568152057 DCIYHSLFUJZEAU-LLVKDONJSA-N 307.354 -0.577 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCC[C@@H](C)NC(=O)CNC(=O)O 1573310797 CUMPQPSMWDGHQH-NEPJUHHUSA-N 324.381 -0.637 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@H](NC(=O)CNC(=O)O)[C@H]1C 1573311568 UGILKTBWRAWZOO-VWYCJHECSA-N 311.338 -0.602 30 20 DBED CC1(C)CNC[C@@H]1C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1576473475 SUNFCWNDYIAUBJ-XUXSRRMHSA-N 306.366 -0.125 30 20 DBED CN(C[C@H]1CCN1CC#N)C(=O)[C@@H]1CCCN1Cc1cnn[nH]1 1576792770 ZZTSCQZXFIAVBR-KGLIPLIRSA-N 317.397 -0.175 30 20 DBED CCOCc1nnc(N2CCO[C@H](C#N)C2)n1CC1(N)COC1 1578145153 ZYFWMBOJGANMTK-LLVKDONJSA-N 322.369 -0.729 30 20 DBED C(=NNCCCN1CCOCC1)c1cccc(-c2nn[nH]n2)n1 1588381447 COBFOUWCZOVNHJ-UHFFFAOYSA-N 316.369 -0.093 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCN=c1cc[nH]c(C(=O)O)n1 1588476415 BHWCROMVDUXSGI-NSHDSACASA-N 317.349 -0.778 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C)/C=C\C(=O)O)C1=O 1588832429 NOKMSRGBAGXIKM-PULIVWKDSA-N 309.278 -0.891 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@H](CNc2ncc(C(=O)O)cn2)C1 1589329351 LSRYZVKZNGQQLJ-GXSJLCMTSA-N 319.321 -0.026 30 20 DBED N#Cc1ccc(S(=O)(=O)Nc2ncn(CC(=O)O)n2)cn1 1594627796 WEUYVRSYSYROPT-UHFFFAOYSA-N 308.279 -0.570 30 20 DBED N#Cc1ccc(NCCN(CCO)C(=O)[C@@H]2C[C@H]2C(=O)O)nc1 1601107841 NJQXNDDRGXRNOG-VXGBXAGGSA-N 318.333 -0.093 30 20 DBED N#Cc1ncc(N2CCc3[nH]nc(N)c3C2)nc1-c1nn[nH]n1 1606398310 WCCONXBCHZCFHF-UHFFFAOYSA-N 309.297 -0.604 30 20 DBED N#Cc1c[nH]ccc1=NC(=O)CN1CCC[C@H](C(=O)O)C1=O 1608223334 ZUMXZKCMHAPEIN-JTQLQIEISA-N 302.290 -0.363 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)NC[C@@H](O)c1cnn(C)c1 1645764570 PUTOHJXSVYGCAQ-GXSJLCMTSA-N 301.372 -0.478 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(CCNC(=O)[C@@H](C)C#N)CC1 1752363238 LZZHHDKEBGBSBY-KBPBESRZSA-N 321.425 -0.429 30 20 DBED COCC#CCNC[C@@H]1CCCN(C(=O)C[C@@H]2CCNC2=O)C1 1752799819 NAWKTIXIAPORLR-GJZGRUSLSA-N 321.421 -0.009 30 20 DBED C#CCNC(=O)CNC1CCC(NC(=O)Cn2cccn2)CC1 1752847339 MDYPWEUSPJTKDS-UHFFFAOYSA-N 317.393 -0.351 30 20 DBED C#CCNC(=O)CN[C@H](CC)CNC(=O)[C@@H](C)c1cnn(C)c1 1753498823 ZKOIZIURRLLWEA-GXTWGEPZSA-N 319.409 -0.243 30 20 DBED C#CCNC(=O)CNCC1(NC(=O)c2ccnnc2)CCCC1 1753509167 JZQZPNUCSYPYGY-UHFFFAOYSA-N 315.377 -0.142 30 20 DBED C#CCNC(=O)CNC[C@@H]1[C@@H](C)CCCN1C(=O)CCOC 1753803628 PLOVPWCQZWZFMU-UONOGXRCSA-N 309.410 -0.011 30 20 DBED C[C@@H](NC(=O)CNC[C@@H](O)CNC(=O)C#CC1CC1)C1CC1 1753910645 ACMSTCFVPZZMIS-BXUZGUMPSA-N 307.394 -0.619 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](C)CNCCN1C(=O)NC(C)(C)C1=O 1754220568 KJZSGSVAEMZTFX-VHSXEESVSA-N 309.370 -0.429 30 20 DBED C#CCNC(=O)CN1C[C@H]2C[C@H]1[C@H]2NC(=O)c1cscn1 1754420179 DJODLAWSOYMXJI-CDMKHQONSA-N 304.375 -0.305 30 20 DBED C=CCNC(=O)CN1CC[C@H]1CNC(=O)C[C@H]1CCCC(=O)N1 1754489472 YHGTZAHRGFMPPQ-OLZOCXBDSA-N 322.409 -0.462 30 20 DBED C#CCN1CC[C@@](O)(CNC(=O)c2csc(NC(C)=O)n2)C1 1754753450 ZODWBPIUAPHFSF-CQSZACIVSA-N 322.390 -0.099 30 20 DBED C#CCNC(=O)CN1C[C@H]2CN(C(=O)CCCOC)C[C@H]2C1 1754841426 OZASDNXUFDTBIO-OKILXGFUSA-N 307.394 -0.447 30 20 DBED C#CCCN[C@@]1(CO)CCCN(C(=O)C[C@H]2CCC(=O)NC2)C1 1755082857 FAYOIXYHSQHKMW-PBHICJAKSA-N 321.421 -0.131 30 20 DBED C#CCNC1(C)CCN(C(=O)[C@@H](C)NS(C)(=O)=O)CC1 1755133062 AOPWSTWNKBRMQV-LLVKDONJSA-N 301.412 -0.472 30 20 DBED C#CCNCC1(O)CCN(C(=O)CCc2ccnn2C)CC1 1755154348 LUOSLPZXGOVTNE-UHFFFAOYSA-N 304.394 -0.071 30 20 DBED C=C(C)CN1C[C@H](NC(=O)CNS(=O)(=O)NC)C(C)(C)C1 1755410541 UNRDBOKHBAPGJF-NSHDSACASA-N 318.443 -0.557 30 20 DBED C=CCCCN[C@@H](C)[C@@H]1CN(C(=O)c2nnn(C)n2)CCO1 1755446940 YTMYEMPXRMQFCV-RYUDHWBXSA-N 308.386 -0.005 30 20 DBED C#CCCN[C@H](CO)CNC(=O)c1cn2c(n1)C[C@@H](OC)CC2 1755631784 LGUMUHMQOJNPPA-STQMWFEESA-N 320.393 -0.452 30 20 DBED COCC#CCN[C@@H](CO)CNC(=O)C[C@@H](C)n1ccc(C)n1 1755633797 DBNZCFGMDPIVSG-HUUCEWRRSA-N 322.409 -0.141 30 20 DBED Cc1cccc(C(=O)N(C)C[C@H](O)CNCC(=O)NCC#N)c1 1755772088 WQOCATUDZOLUCG-CQSZACIVSA-N 318.377 -0.343 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2ccnc2C)C1 1756999244 NFBCKZZWHKLAAB-CHWSQXEVSA-N 306.366 -0.154 30 20 DBED CNC(=O)C1(C(=O)N[C@H]2CCN(C(=O)[C@H](C)C#N)[C@@H]2C)CC1 1757526783 XONBISSZSYHLOH-MXWKQRLJSA-N 306.366 -0.222 30 20 DBED C[C@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)S)C2)C1 1783893796 GGACDJIRBHZHHX-OUJBWJOFSA-N 302.396 -0.485 30 20 DBED C=CCC(=O)N1CCO[C@@]2(CCN(C(=O)C3CN(C)C3)C2)C1 1784787527 XNOIYIGRPXUIFT-INIZCTEOSA-N 307.394 -0.046 30 20 DBED CC(C)(O)CC(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1842783437 IDBHHPQCRMVXPD-UHFFFAOYSA-N 308.334 -0.561 30 20 DBED CC[C@@H](C)[C@@H](N)C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1842896614 KTXDOHNCXUDJJN-BXUZGUMPSA-N 321.377 -0.349 30 20 DBED C[C@@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)N(C)C 153022126 QIIXGJPWNOHMHZ-SNVBAGLBSA-N 310.383 -0.335 30 20 DBED C[C@@H](CNS(=O)(=O)c1cccnc1C#N)N1CCOCC1 277061114 RFTNTOJLPWYJFJ-NSHDSACASA-N 310.379 -0.048 30 20 DBED C#CCN(CC#N)C(=O)c1ccc(S(=O)(=O)N(C)C)nc1 281030772 CBDILICVALWMML-UHFFFAOYSA-N 306.347 -0.069 30 20 DBED CN1CCO[C@@H](CN/C(O)=N/CCN2CCOCC2(C)C)C1 329133451 YZUYWMJJXIWWOK-ZDUSSCGKSA-N 314.430 -0.069 30 20 DBED Cn1cc(N2CCN(/C(O)=N/Cc3cnnn3C)CC2)cn1 329705141 JZHQWMSUIYCUOW-UHFFFAOYSA-N 304.358 -0.215 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCO[C@H](CN(C)C)C1 330393066 QDKFLIZRUGXYNE-QWHCGFSZSA-N 318.443 -0.025 30 20 DBED CCCS(=O)(=O)CC(=O)N1CCN(/C(O)=N/CC)CC1 330669768 BHOMBNLFAJJJGY-UHFFFAOYSA-N 305.400 -0.111 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@H](C)C[S@@](C)=O 336938319 HNPIMNCHNHVYRL-MLCYQJTMSA-N 311.429 -0.550 30 20 DBED CCN(CCC#N)S(=O)(=O)NC[C@@H](C)N1CCN(C)CC1 337103959 YHEXLRCOZUAYMS-CYBMUJFWSA-N 317.459 -0.308 30 20 DBED CN(C)C(=O)[C@H]1CSCN1S(=O)(=O)N(C)CCC#N 338426544 VZTNAPOXPJKUDU-SECBINFHSA-N 306.413 -0.460 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCCCCOC)C1=O 340325134 OPOXHXSITDRBPQ-LBPRGKRZSA-N 311.382 -0.226 30 20 DBED C[C@H](NC(N)=O)C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 342981360 BXEBPWRLSDEWSC-UWVGGRQHSA-N 317.353 -0.558 30 20 DBED C[C@@H](CNC(=O)CNc1ccc(C#N)cn1)CN1CCOCC1 345336589 PVVUOVMIVYBKIO-ZDUSSCGKSA-N 317.393 0.450 30 20 DBED Cc1cc(NC(=O)C(=O)N2CCOC[C@@H](C)C2)nn1CCC#N 349300008 JRCRFEPQNBOPEZ-NSHDSACASA-N 319.365 0.539 30 20 DBED N#Cc1cncn(CC(=O)CN2C(=O)c3ccccc3C2=O)c1=O 351761539 CWYLGXCYJOCEOU-UHFFFAOYSA-N 322.280 -0.020 30 20 DBED CN(CCC#N)C(=O)CCN1CCC[C@@H](CS(N)(=O)=O)C1 356987467 QHGNAWCFVCSGLZ-GFCCVEGCSA-N 316.427 -0.251 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N(C)C1CCN(CCO)CC1 357650306 QCCCGYSQCBJSKT-GFCCVEGCSA-N 312.414 -0.225 30 20 DBED CC#CCCNC(=O)NCCNS(=O)(=O)Cc1ccon1 361496551 MBUMKSLZQVHDNE-UHFFFAOYSA-N 314.367 -0.193 30 20 DBED C#CCNC(=O)CN1CCN(CC(=O)N2CCC(C)CC2)CC1 491071308 JNCIHQJHQPLSOV-UHFFFAOYSA-N 320.437 -0.388 30 20 DBED CN1C[C@H](NC(=O)N(C)CCCc2[nH]nc(N)c2C#N)CC1=O 542830040 SKXWRPZWXICHAQ-SECBINFHSA-N 319.369 -0.332 30 20 DBED CN(CCC#N)C(=O)CCN1[C@H]2C[C@H]3[C@H]([C@@H]2O)[C@@H]2C[C@H]3[C@@H](O)[C@H]21 582549540 FGNSNJYFPIWANF-ORCMLXAYSA-N 319.405 -0.191 30 20 DBED C=CCCCCCNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 583154532 DHJWVUFIPJATHP-STQMWFEESA-N 322.409 -0.381 30 20 DBED COCCCS(=O)(=O)NCC(=O)N(C1CC1)[C@@H](C)C#N 598130207 CNJBJIOHLDTWMT-JTQLQIEISA-N 303.384 -0.155 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)NCCN2CC[C@H](O)C2)cc1 600808041 GRBNQFXEWHNWNV-AWEZNQCLSA-N 316.361 -0.529 30 20 DBED COCCNC(=O)CNS(=O)(=O)c1cccc(CC#N)c1 619474236 OARXJFFZIIOCAW-UHFFFAOYSA-N 311.363 -0.206 30 20 DBED CCN(CC#CCOC)CC(=O)N[C@@H]1CCS(=O)(=O)C1 677818114 ZMNVXSYOJBJAOA-GFCCVEGCSA-N 302.396 -0.739 30 20 DBED Nc1ncccc1C=NNC(=S)NCCN1CCOCC1 764660756 ZGTLNGBDTXWDCZ-UHFFFAOYSA-N 308.411 -0.206 30 20 DBED C#C[C@H](NC(=O)CNS(=O)(=O)CCOCC)[C@@H]1CCCO1 775346100 BIUYEUUWNPDNIH-RYUDHWBXSA-N 318.395 -0.761 30 20 DBED N#C[C@H]1CN(S(=O)(=O)N2CC(O)(c3ccccc3)C2)CCO1 796207456 RGFLAFFMBCPFIW-ZDUSSCGKSA-N 323.374 -0.341 30 20 DBED C#CCC[C@H](O)CNC(=O)NCCC(=O)N1CCN(C)CC1 798361699 JUMVPTDPAJWALV-ZDUSSCGKSA-N 310.398 -0.776 30 20 DBED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1ccc(OC)nc1OC 799283510 IKJYSLSECVHNOT-SNVBAGLBSA-N 321.333 -0.072 30 20 DBED CNS(=O)(=O)N1CCC(C(=O)N=C2C[C@@H](C)ON2)CC1 802932264 CKMKOFLNSRVQTA-MRVPVSSYSA-N 304.372 -0.599 30 20 DBED C#C[C@@H](NC(=O)C(=O)N1CCN(CCOC)CC1)[C@@H]1CCCO1 809307159 ZQQKJEOUTCAZMF-KGLIPLIRSA-N 323.393 -0.926 30 20 DBED C[C@](C#N)(CC(=O)O)C(=O)NC[C@H]1CCC[C@]12NC(=O)NC2=O 819834237 MBOIOWBPAITUDJ-WZYXQFPFSA-N 322.321 -0.515 30 20 DBED O=C(CS(=O)(=O)C1CCCC1)N[C@@H]1CCCN(O)C1=O 820477056 SXRORVXUGLNGJD-SNVBAGLBSA-N 304.368 -0.160 30 20 DBED CNC(=O)COc1cccc(CC(=O)N[C@H]2CNC[C@@H]2C#N)c1 834480482 QOCJMLIRPUFGJK-JSGCOSHPSA-N 316.361 -0.418 30 20 DBED CS(C)(=O)=NS(=O)(=O)N1CCN(CC2(C#N)CC2)CC1 846967337 XEYZUJZDRCCWQP-UHFFFAOYSA-N 320.440 -0.120 30 20 DBED C#CC1(O)CN(C(=O)[C@H](CCSC)NS(=O)(=O)CC)C1 890523724 XLLPPRIDJPNTFF-JTQLQIEISA-N 320.436 -0.746 30 20 DBED CNC(=O)c1ccc(=O)n(CC(=O)N(CCC#N)CCC#N)c1 920072354 DRSGFQSEGSXXAZ-UHFFFAOYSA-N 315.333 -0.136 30 20 DBED O=C(CC1CS(=O)(=O)C1)N[C@@H]1CCN(C(=O)C#CC2CC2)C1 941333767 GWQNLSJSXIPPOB-CYBMUJFWSA-N 324.402 -0.448 30 20 DBED Cc1nonc1C(=O)NC[C@@H]1CN(C(=O)[C@H](C)C#N)CCO1 944654607 PPCLOPVHVQZJPB-PSASIEDQSA-N 307.310 -0.505 30 20 DBED CO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1NC(=O)c1cn(C)c(O)n1 946577707 SKHIXOJSINVQFB-IQJOONFLSA-N 321.337 -0.759 30 20 DBED C=C1CC(C)(C(=O)N2CC[C@@H]2CNC(=O)[C@@H]2CNC(=O)N2)C1 951879595 ZFZCJRXISALPLZ-MNOVXSKESA-N 306.366 -0.259 30 20 DBED CN1CCOC[C@@H]1C(=O)NC[C@@H]1CCCN1C(=O)C#CC1CC1 956005156 YSSGZBOHKVDESW-LSDHHAIUSA-N 319.405 -0.162 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2cnn3c2CCCC3)C1 958559716 SDFACXWRXHVQLC-DOMZBBRYSA-N 302.378 -0.125 30 20 DBED Cc1ncncc1C(=O)N(C)[C@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1O 958646537 ISJWHZLDMULUEI-ICCXJUOJSA-N 317.349 -0.412 30 20 DBED CC#CCN1C[C@H](O)[C@H](CNC(=O)c2ccc(C(N)=O)cn2)C1 958744237 JRZSISBGDGZXNS-OCCSQVGLSA-N 316.361 -0.774 30 20 DBED Cc1nonc1C(=O)N1CCO[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]21 960577969 KZBHUYOSZUUOGW-INTQDDNPSA-N 319.321 -0.411 30 20 DBED CC#CCN1C[C@H]2[C@H](NC(=O)[C@@H]3CN4CC5CC4(CO3)C5)[C@H]2C1 961286870 ZKOGGKGVDHISCO-ZBKZBXIDSA-N 315.417 -0.081 30 20 DBED Cc1nc(CC(=O)N2C[C@H]3CN(C(=O)[C@@H](C)C#N)C[C@H]3C2)n[nH]1 961537131 COHGNNJYFCJFCY-ZMLRMANQSA-N 316.365 -0.268 30 20 DBED C#CCCN1C[C@H]2C(NC(=O)C3CCS(=O)(=O)CC3)[C@@H]2C1 961910046 JRTOHICLZQONMT-CHWSQXEVSA-N 310.419 -0.119 30 20 DBED Cc1cc(C(=O)NC[C@@H]2COCCN2C(=O)[C@@H](C)C#N)n[nH]1 964095200 TZSVGNLHCGRACK-GXSJLCMTSA-N 305.338 -0.165 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)c1cn(C)c(O)n1 964335726 NNNRSSYMKDBUQV-UWVGGRQHSA-N 321.337 -0.757 30 20 DBED N#CCN1C[C@H]2CC[C@H]1CN2C(=O)c1ccc(S(N)(=O)=O)o1 971562602 MZPGXEFKKCBPFM-VHSXEESVSA-N 324.362 -0.261 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)c3cn(C)nn3)[C@@H]2C1 972022992 JEWMDLJJJXXWDO-CKYFFXLPSA-N 302.338 -0.352 30 20 DBED CC#CCN1CCO[C@]2(CCN(C(=O)C[C@H]3CCC(=O)N3)C2)C1 972595579 CRWLOMKSTQJBFN-RHSMWYFYSA-N 319.405 -0.018 30 20 DBED C#Cc1ccc(C(=O)N2C[C@H]3[C@H](NC(=O)c4cnon4)[C@H]3C2)nc1 977029855 CFBNSONKZHIKNV-YABSGUDNSA-N 323.312 -0.054 30 20 DBED C[C@@]12CN(CC#N)C[C@]1(C)CN(C(=O)CCn1cnnn1)C2 982670660 HYDRMUVPWYFCPO-OKILXGFUSA-N 303.370 -0.243 30 20 DBED C#CCN(C)C1CCN(C(=O)CN2C(=O)CN(C)C2=O)CC1 985781939 MUHWJXIVWVQNSY-UHFFFAOYSA-N 306.366 -0.564 30 20 DBED C#CCN[C@@H]1CCN(C(=O)CN2C(=O)NC(=O)C2(C)C)[C@H]1C 987314743 DZJKXQVITXMLTH-WDEREUQCSA-N 306.366 -0.471 30 20 DBED C[C@@H]1C[C@H](NCc2nnn(C)n2)CN1C(=O)c1c[nH]c(C#N)c1 988612477 LPHPIGVKQHTGCB-SKDRFNHKSA-N 314.353 -0.197 30 20 DBED C[C@H]1C[C@@H](NCC#N)CN1C(=O)Cn1[nH]cc2c(=O)ncnc1-2 989569092 RFSXJBIHULIMLH-VHSXEESVSA-N 315.337 -0.826 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)C2=COCCO2)C1 990143925 DYJWEUACPPDMGJ-NEPJUHHUSA-N 308.334 -0.207 30 20 DBED C#CCN1CC[C@]2(NC(=O)Cn3ccc(O)nc3=O)CCC[C@H]12 991650560 BNTGHJYRXBAZAQ-BLLLJJGKSA-N 316.361 -0.305 30 20 DBED CC(=O)N1CCO[C@H](C(=O)N[C@@]23CCC[C@H]2N(CC#N)CC3)C1 992463896 HIJDXOLJXGNRMC-SQWLQELKSA-N 320.393 -0.130 30 20 DBED C=CCn1cccc1C(=O)NC1CN(C(=O)Cn2cncn2)C1 994197712 KKJDAJPLIUOMEY-UHFFFAOYSA-N 314.349 -0.094 30 20 DBED CC(=O)NCc1cn(C2CN(C(=O)c3c[nH]c(C#N)c3)C2)nn1 994723061 SRTNIPUTCQLWJH-UHFFFAOYSA-N 313.321 -0.189 30 20 DBED CCCCN1CCOC[C@H]1C(=O)NC1CN(C(=O)[C@H](C)C#N)C1 996326304 UXAHVPXQYITSOO-OCCSQVGLSA-N 322.409 -0.026 30 20 DBED Cn1cc(C(=O)NC2CN(C(=O)c3ccc(C#N)[nH]3)C2)nc1O 999063215 GILOLBPEZGILHR-UHFFFAOYSA-N 314.305 -0.420 30 20 DBED N#CCN1CC[C@H](n2cc(CNC(=O)c3cnon3)nn2)C1 1000032706 DZHQLPFLTVBUJR-JTQLQIEISA-N 302.298 -0.639 30 20 DBED C#CCN[C@H]1CCCN(C(=O)c2nc(O)nc(O)c2OC)C1 1000686799 IPBQXTHIYYPYHP-VIFPVBQESA-N 306.322 -0.276 30 20 DBED Cn1nnc(CN2CCC(NC(=O)c3cc(C#N)c[nH]3)CC2)n1 1002552134 VUHAKWLFJNDSNQ-UHFFFAOYSA-N 314.353 -0.196 30 20 DBED C[C@]1(C(=O)N2CCN(C(=O)C#CC3CC3)CC2)CCNC(=O)C1 1011107646 KICADFPEUPFETQ-KRWDZBQOSA-N 317.389 -0.013 30 20 DBED C[C@@H]1CN(C)C[C@H](C(=O)N2CCN(C(=O)[C@H](C)C#N)CC2)O1 1011321090 IBKYVHVETLGRAZ-JHJVBQTASA-N 308.382 -0.464 30 20 DBED C=CCn1cc(C(=O)NC2[C@@H]3CN(C(=O)[C@@H](C)C#N)C[C@@H]23)nn1 1013113261 IKZUOXFVROFRPA-HBNTYKKESA-N 314.349 -0.190 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@H](N[C@H]3CCCNC3=O)C2)[nH]1 1018730722 GMXWYNVZDZUICU-RYUDHWBXSA-N 301.350 -0.031 30 20 DBED C=CCN1CC[C@H](N[C@H]2C[C@H](NC(=O)[C@H]3CCC(=O)N3)C2)C1=O 1020028009 KJTUOSZIZGGDOB-LPWJVIDDSA-N 320.393 -0.711 30 20 DBED Cn1cnn(CC(=O)N2CCC[C@@H]3CN(CC#N)CC[C@@H]32)c1=O 1021618307 DJTPMRBUYZXFKG-OLZOCXBDSA-N 318.381 -0.582 30 20 DBED C=CCN1CC[C@H](NC[C@H]2CCCN(C(=O)CC(N)=O)C2)C1=O 1023902609 CVSQSSVGRVJJDV-OLZOCXBDSA-N 322.409 -0.523 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cncn2C)C1 1024471134 BMRCHIFZFKMXTM-ZYHUDNBSSA-N 306.366 -0.066 30 20 DBED N#Cc1cc(C(=O)N2CC[C@@H](CN[C@@H]3CCNC3=O)C2)c[nH]1 1026794950 VMESLTOMCCBHTN-GXFFZTMASA-N 301.350 -0.173 30 20 DBED C#CCCN1[C@H]2CC[C@H]1CN(C(=O)Cn1ncn(C)c1=O)C2 1029369542 JQIHSVPCNWTNKC-STQMWFEESA-N 303.366 -0.720 30 20 DBED C=CCCN1[C@H]2CC[C@H]1CN(C(=O)[C@H]1CCS(=O)(=O)N1)C2 1029587983 DOPGPYHVHYNSMY-RWMBFGLXSA-N 313.423 -0.071 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)c3ccc(C)nn3)C2)C1=O 1030292835 YLPHHKXSEVRKBL-CQSZACIVSA-N 315.377 -0.014 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)Cc3cnoc3)C2)C1=O 1030828072 USCHKSZFRGSPHB-ZDUSSCGKSA-N 304.350 -0.196 30 20 DBED C#CCN[C@@H]1CCN(C(=O)CN2CC(=O)N(C)C2=O)C[C@@H]1C 1036260395 MLGCBVAUZLHSKJ-NWDGAFQWSA-N 306.366 -0.660 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2[C@H]3C[C@H]2N(CC(=O)N2CCC2)C3)c[nH]1 1037369957 ARYYDGPGBMAYEU-NJZAAPMLSA-N 313.361 -0.079 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@]1(O)CCN(C(=O)COCC=C)C1 1039721890 PEQGDBYRJNRHKZ-CZUORRHYSA-N 324.377 -0.693 30 20 DBED CCc1nc[nH]c1C(=O)N1CC[C@@](O)(CNC(=O)[C@@H](C)C#N)C1 1040761660 UXVXNBJKMBLPGM-ZUZCIYMTSA-N 319.365 -0.175 30 20 DBED C[C@@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)c2ccccn2)C1 1040764800 ZFHNFDZTXKKFEE-XHDPSFHLSA-N 302.334 -0.066 30 20 DBED N#Cc1cncc(N2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CCCO3)C2)n1 1040933702 HSNWUYNSOCXCSK-YNEHKIRRSA-N 317.349 -0.417 30 20 DBED C=CCCn1cc(C(=O)N2CC(O)(CNC(=O)CC)C2)nn1 1041045034 XQGUUVQYIIISHJ-UHFFFAOYSA-N 307.354 -0.433 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)[C@H]2CCCCC(=O)N2)C1 1041963492 QQUOPYROZSZVGX-GFCCVEGCSA-N 323.393 -0.299 30 20 DBED C=CCN1CC[C@@H]2CCN(C(=O)CN3CC(=O)N(C)C3=O)C[C@@H]21 1042311059 DXMUZWGVJMJCFG-OLZOCXBDSA-N 320.393 -0.011 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)c2cc(C)ncn2)C1 1042589012 NPPAULORKBRLRO-UHFFFAOYSA-N 316.361 -0.108 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(O)(CNC(=O)C#CC(C)C)C1 1042936244 CJBQKLYPGYZVRQ-HNNXBMFYSA-N 308.378 -0.338 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)C#CC(C)C)C1 1042941369 YBZFSFKGUCYHAY-ZDUSSCGKSA-N 306.362 -0.626 30 20 DBED C[C@@H]1OCC[C@@]1(C)C(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042964916 QNEKJCYOYFNJFQ-BLLLJJGKSA-N 320.389 -0.096 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)c2cncs2)C1 1043036169 LBZQVXUXEDNLGY-SNVBAGLBSA-N 323.374 -0.516 30 20 DBED O=C(CN1CCCC1)NCC1(O)CN(C(=O)C#CC2CC2)C1 1043124670 TVDDXOZZDIEFSM-UHFFFAOYSA-N 305.378 -0.815 30 20 DBED COCc1ccc(C(=O)NCC2(O)CN(C(=O)[C@H](C)C#N)C2)o1 1043857961 DVINRCDNWHJGCT-SNVBAGLBSA-N 321.333 -0.111 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)c2cn(CC)nn2)C1 1045578224 QZUDWAYQIFHQHI-UHFFFAOYSA-N 321.381 -0.187 30 20 DBED CCn1cc(C(=O)NCC2(O)CN(C(=O)C#CC3CC3)C2)nn1 1045578408 UJYQKRUPUZCKLU-UHFFFAOYSA-N 317.349 -0.986 30 20 DBED C#CCN1CCC(C)(NC(=O)C2CC3(C2)NC(=O)NC3=O)CC1 1045585495 RMPPHBZYTPSVGH-UHFFFAOYSA-N 318.377 -0.422 30 20 DBED CC#CCN1CC[C@@](C)(NC(=O)[C@H]2CCN(C)S2(=O)=O)C1 1046691317 VRCCCDMZMVZSNJ-TZMCWYRMSA-N 313.423 -0.376 30 20 DBED CC#CCN1C[C@H]2C[C@@H](NC(=O)CN3CC(=O)NC3=O)C[C@H]1C2 1047162565 NXBVMLOWJQDLIW-YNEHKIRRSA-N 318.377 -0.469 30 20 DBED Cn1cc(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)N(CC#N)C3)n(C)c1=O 1047208200 ADFPZUYCZHXSNS-TUAOUCFPSA-N 303.366 -0.170 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCO2)C1 1048973457 VWZDRSBFYSWJGQ-XDQVBPFNSA-N 324.377 -0.766 30 20 DBED C#CCCN1CCOC[C@@H]1CNC(=O)[C@H]1COCCN1CC 1050994078 XNEUKFKLBZPMPN-LSDHHAIUSA-N 309.410 -0.453 30 20 DBED CCCCN1CCOC[C@@H]1C(=O)NC[C@H]1COCCN1CC#N 1051043143 JLLRNLIEDHUPMD-LSDHHAIUSA-N 324.425 -0.172 30 20 DBED Cn1nccc1[C@@H]1C[C@H]1C(=O)NC[C@H]1COCCN1CC#N 1051045802 ZHVQOCOSFKHXCL-YNEHKIRRSA-N 303.366 -0.136 30 20 DBED N#Cc1ccc(CNC[C@H]2CN(C(=O)C(N)=O)CCO2)c(F)c1 1051794290 JNHRPUIFNWVLAJ-LBPRGKRZSA-N 320.324 -0.500 30 20 DBED N#CCN1CCN([C@@H]2CCN(C(=O)[C@H]3CCC(=O)NC3)C2)CC1 1052048451 UMEYSZJXUIEFMC-UONOGXRCSA-N 319.409 -0.745 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC2(CN(Cc3nncn3C)C2)C1 1053193960 XONARHIROZVMSD-NSHDSACASA-N 304.354 -0.612 30 20 DBED N#CCN1CC2(C1)CN(C(=O)[C@H]1CCc3nccn3C1)CCO2 1053313848 FKFYKDLOMYQWHI-ZDUSSCGKSA-N 315.377 -0.118 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)[C@]1(C)CCC(=O)NC1)CCO2 1053388773 BQKUUGDXGPABER-MRXNPFEDSA-N 319.405 -0.161 30 20 DBED C=CCN1CC2(C1)CN(C(=O)c1cccnc1C(N)=O)CCO2 1053539551 VLJWTORMKKINHV-UHFFFAOYSA-N 316.361 -0.107 30 20 DBED C=CCCN1CC2(C[C@@H](NC(=O)C3CS(=O)(=O)C3)CO2)C1 1053814181 IPAQZKWHVWDUGM-GFCCVEGCSA-N 314.407 -0.433 30 20 DBED COc1nccc(C(=O)N[C@@H]2COC3(C2)CN(CC#N)C3)n1 1053867520 MQIJXIVJGDNMIK-JTQLQIEISA-N 303.322 -0.418 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@](CO)(NC(=O)c2cnn(C)n2)C1 1056010578 BAFYFDSOZHCVED-HZMBPMFUSA-N 320.353 -0.942 30 20 DBED Cn1nccc1CC(=O)NC1[C@@H]2CN(c3cncc(C#N)n3)C[C@@H]12 1056173629 PYZNCFAVVULIRZ-CHWSQXEVSA-N 323.360 -0.125 30 20 DBED CN1C[C@H](C(=O)N2CC[C@@H](Nc3cncc(C#N)n3)C2)NC1=O 1056745187 RLAUITHGRFWPHM-MWLCHTKSSA-N 315.337 -0.615 30 20 DBED C#Cc1ccc(C(=O)NCCN(CCO)C(=O)C(F)F)nc1 1056749157 WVHSUOXRDXJBHE-UHFFFAOYSA-N 311.288 -0.121 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)[C@@H]1CCC(=O)N1C 1057445401 TVMBDEAYNPXWML-ZDUSSCGKSA-N 323.393 -0.652 30 20 DBED N#Cc1ccc(N2CC[C@H](NC(=O)C3CS(=O)(=O)C3)C2)nc1 1058456023 CUFLEEFFDCEDCJ-LBPRGKRZSA-N 320.374 -0.307 30 20 DBED COc1ncc(C(=O)NCCN(CCO)C(=O)[C@H](C)C#N)cn1 1058656361 BIGGFYZMSNOYJU-SNVBAGLBSA-N 321.337 -0.804 30 20 DBED N#Cc1cncc(N[C@H]2CCN(C(=O)[C@H]3CCNC(=O)C3)C2)n1 1058872602 WFNJHYPFDHHQIZ-QWRGUYRKSA-N 314.349 -0.113 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@@H](CCNC(=O)CNC(N)=O)C1 1059646825 YCSKHPPZCLKORW-NWDGAFQWSA-N 324.381 -0.952 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@H]1CC[C@H](NC(=O)C(N)=O)CC1 1060805354 WQNTZPZJLLZLLP-PGUXBMHVSA-N 311.382 -0.410 30 20 DBED N#Cc1nc(=NC[C@H]2CCN(C(=O)[C@@H]3COC(=O)N3)C2)cc[nH]1 1060865143 LKHVFXGAKFPVMX-ZJUUUORDSA-N 316.321 -0.861 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)CN2CCCC2=O)CCC1 1062502389 YTWQPPMNGQCLKN-NSHDSACASA-N 306.366 -0.076 30 20 DBED N#Cc1cncc(N2CCO[C@@H](CNC(=O)c3ccon3)C2)n1 1063615794 DKBFPYSVRBXEIT-NSHDSACASA-N 314.305 -0.029 30 20 DBED Cn1ncc(C(=O)N[C@H]2[C@H]3C[C@H]2N(c2cnc(C#N)cn2)C3)n1 1064274762 DYMLVNHWPSXIAY-KDDOJWQBSA-N 310.321 -0.516 30 20 DBED C=CCOCC(=O)N1CCO[C@H](CNC(=O)Cc2cnc[nH]2)C1 1064972667 ZHRPSKKFMSSCPL-CYBMUJFWSA-N 322.365 -0.502 30 20 DBED CNC(=O)NCCC(=O)N1CCC[C@H](NC(=O)[C@H](C)C#N)CC1 1066473896 AZTWZJLDIBSLLG-NEPJUHHUSA-N 323.397 -0.038 30 20 DBED N#Cc1ccc(NCC2CC(NC(=O)[C@@H]3CCC(=O)N3)C2)nn1 1067858645 LMRQUOMRUSRECE-NHNAUAITSA-N 314.349 -0.066 30 20 DBED Cc1nsc(N[C@@H](C)[C@@H]2CN(C(=O)C(N)=O)CCO2)c1C#N 1068243570 KNGSSPHMLREFHK-WPRPVWTQSA-N 323.378 -0.164 30 20 DBED C=CCCC(=O)N1CCOC2(C1)CN(C(=O)[C@@H](C)NC(C)=O)C2 1068344240 LCVUJLLFGKNFHG-GFCCVEGCSA-N 323.393 -0.083 30 20 DBED COCC(=O)N[C@@H]1COC2(C1)CN(C(=O)c1c[nH]c(C#N)c1)C2 1068651700 DPEUWDRDIFKHEV-LBPRGKRZSA-N 318.333 -0.368 30 20 DBED N#CCSCC(=O)N1CCC[C@@H](NC(=O)[C@@H]2CCC(=O)N2)C1 1070452674 UANLWDULRBGAEY-MNOVXSKESA-N 324.406 -0.371 30 20 DBED CC#CCN1C[C@H]2C[C@@H]3CN(C(=O)[C@H]4CCNC4=O)C[C@@]3(C1)O2 1070835474 KXBJWUTYNPCZML-VWPFQQQWSA-N 317.389 -0.553 30 20 DBED C=CCN1CC[C@]2(C1)CN(C(=O)CCn1cnnn1)C[C@H](C)O2 1071222813 HGZCMYUMUYHIDT-ZFWWWQNUSA-N 320.397 -0.059 30 20 DBED CC(=O)NCC(=O)N1C[C@H](C)[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 1071496078 OMGMPKCDRBPSQF-ZANVPECISA-N 317.349 -0.401 30 20 DBED Cc1nn[nH]c1C(=O)N[C@H]1CN(C(=O)CSCC#N)C[C@H]1C 1071657428 DJNJKWCLHHZTGU-SCZZXKLOSA-N 322.394 -0.053 30 20 DBED C[C@H]1CC[C@H](NC(=O)Cn2ccc(O)nc2=O)CN1CC#N 1071659327 IJWDSCRGIJHHJW-QWRGUYRKSA-N 305.338 -0.558 30 20 DBED C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1NC(=O)c1cnn(C)n1 1071661533 LJPIKKSSAWYIEG-MWLCHTKSSA-N 322.394 -0.351 30 20 DBED C=CCOCC(=O)N1C[C@@H](C)[C@@H](NC(=O)c2cncnc2O)C1 1071812749 VQWTUFFAKFVFJB-PWSUYJOCSA-N 320.349 -0.039 30 20 DBED CNC(=O)CC(=O)N1C[C@H](C)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 1071967629 QAQHGLZUXXENEK-JOYOIKCWSA-N 317.349 -0.401 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H]1CCN(C(=O)C(N)=O)CC1(C)C 1073393874 QPIXNYARQMXYHL-QWRGUYRKSA-N 309.366 -0.747 30 20 DBED C=CCCCC(=O)N1CCN(C2CN(C(=O)C(N)=O)C2)CC1 1073597369 XXRRMCOBJFBSMS-UHFFFAOYSA-N 308.382 -0.817 30 20 DBED C=CCCC(=O)N1CCC(O)(CNC(=O)CNC(C)=O)CC1 1074511572 OBWRXYAGSHZUHG-UHFFFAOYSA-N 311.382 -0.442 30 20 DBED C=CCCC(=O)NCC[C@H](C)NC(=O)Cn1c(O)nnc1O 1075882713 JBNQTUZZZCOQPF-VIFPVBQESA-N 311.342 -0.334 30 20 DBED CNC(=O)NCC(=O)N[C@@H](C)CCNC(=O)C#CC(C)(C)C 1076436839 CMIMCAZXAFJPAU-NSHDSACASA-N 310.398 -0.024 30 20 DBED C#CCOCCC(=O)NCC[C@H](C)NC(=O)CCn1cnnn1 1076505382 SVZKPBZDBCXUNL-LBPRGKRZSA-N 322.369 -0.886 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H](C)CCNC(=O)Cn1ncnn1 1076649728 XRWPQVRXUPAGSZ-GXFFZTMASA-N 310.358 -0.989 30 20 DBED CN1CCN(CC(=O)N[C@@H]2C[C@@H](NCC#N)C23CCC3)CC1=O 1078663728 SFHIFOGGFOACEN-CHWSQXEVSA-N 319.409 -0.699 30 20 DBED C=CCN[C@@H]1C[C@@H](NC(=O)CN2CC(=O)NC2=O)C12CCC2 1078749516 NNROGGHICDLRPN-GHMZBOCLSA-N 306.366 -0.259 30 20 DBED C#CCOCCC(=O)NC1(CO)CCN(C(=O)C(F)F)CC1 1080859187 OMSLFTUYRBYODU-UHFFFAOYSA-N 318.320 -0.239 30 20 DBED C#CCOCCC(=O)N1C[C@H](O)[C@H](CNC(=O)/C(C)=C\C)C1 1081397689 UTBYOZKWAHZGOA-YCYRZOEZSA-N 308.378 -0.072 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@H](CNC(=O)C#CC2CC2)C1 1081471150 JTJWCBFPNMDUOJ-ZIAGYGMSSA-N 306.362 -0.462 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@H](CNC(=O)Cc2ccc[nH]2)C1 1081525171 FADQIUJKXWFGIK-TZMCWYRMSA-N 321.377 -0.305 30 20 DBED Cc1nonc1C(=O)NC[C@H]1CN(C(=O)C#CC(C)C)C[C@H]1O 1081580502 PBZIIKLFLBJULV-NWDGAFQWSA-N 320.349 -0.413 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@H]2CCc3nnc(O)n3C2)C[C@H]1C 1082602874 ZATWMUWTCALXCB-GRYCIOLGSA-N 303.366 -0.384 30 20 DBED C=CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)C[C@@H]1CC(=O)NC1=O 1083292484 IBCJCRQTICKWPC-RWMBFGLXSA-N 321.377 -0.473 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)c2ccoc2CC(N)=O)C1 1083731798 OVYKITUSRHBKPK-NEPJUHHUSA-N 305.334 -0.894 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2ccccc2-n2ccnn2)C1 1084123033 OZTQXCAQJMWLGT-HIFRSBDPSA-N 311.345 -0.325 30 20 DBED CC#CCN1CC[C@@H]2CN(C(=O)CC[C@H]3NC(=O)NC3=O)[C@@H]2C1 1084819566 GZHQTQIHTVZBKZ-JHJVBQTASA-N 318.377 -0.469 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CC[C@@H](C)N(c2ccc(C#N)nn2)C1 1089115519 HWDFJFSUYNDSHE-ZWNOBZJWSA-N 316.365 -0.042 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cn(C3CCC3)nn2)[C@H](O)C1 1090275206 YCBYJDABNQCNRV-GXTWGEPZSA-N 303.366 -0.199 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)Cc2cn(CC)nn2)[C@@H](O)C1 1090441158 IWQYVJBFHMJVDY-KGLIPLIRSA-N 307.398 -0.032 30 20 DBED N#Cc1cccnc1N1C[C@@H](O)[C@H](NC(=O)CCCC(N)=O)C1 1090442506 AAWGEKTURKSGRN-VXGBXAGGSA-N 317.349 -0.725 30 20 DBED C=CCN1CC[C@H](NC(=O)c2cccc(C(=O)NC)n2)[C@@H](O)C1 1090767562 KSKBIEHHHHIJHL-FZMZJTMJSA-N 318.377 -0.208 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(c2nc(C)ncc2C)C[C@@H]1O 1091153031 OOXLPXKRRSOLHK-YUTCNCBUSA-N 318.377 -0.203 30 20 DBED C=CCCC(=O)N[C@H]1CCN(c2ccc3nnnn3n2)C[C@@H]1O 1092153069 BWJYXLNXHNIWBU-QWRGUYRKSA-N 317.353 -0.459 30 20 DBED Cc1cc(C#N)nc(N2C[C@@H](C)[C@H](CCNC(=O)C(N)=O)C2)n1 1092575969 SISRIWYMVCKRLO-MWLCHTKSSA-N 316.365 -0.279 30 20 DBED CNC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cnc(C#N)cn1 1092820423 DZDIZTUYGKTMCJ-WOPDTQHZSA-N 314.349 -0.290 30 20 DBED N#Cc1cnc(NCCNC(=O)Cn2ncnn2)c(Cl)c1 1093889716 KFGOOZGCVNZCJA-UHFFFAOYSA-N 306.717 -0.179 30 20 DBED Cc1cc(=NCCNC(=O)[C@H]2CCCNC2=O)c(C#N)c[nH]1 1093946043 UPXKEFBFGKQZHR-LBPRGKRZSA-N 301.350 -0.262 30 20 DBED CCO[C@@H](C(=O)NCCN=c1cc[nH]c(C#N)n1)[C@H]1CCOC1 1094008983 GDRCHZJSSLZADV-SMDDNHRTSA-N 319.365 -0.260 30 20 DBED CCN1C[C@H](C(=O)NCCNc2cncc(C#N)n2)CC1=O 1094190668 SJKKPFTUMJFLGE-SNVBAGLBSA-N 302.338 -0.255 30 20 DBED CC#CCN1CC(N2C[C@H](NC(=O)[C@H]3CCCN3C)CC2=O)C1 1094713883 KJUWTYDAKFYKAU-UKRRQHHQSA-N 318.421 -0.495 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)CC3OCCCO3)CC2=O)C1 1094726019 CMVXFIADHXFERI-GFCCVEGCSA-N 321.377 -0.826 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](Nc2ncc(F)cn2)C1 1095034940 IQXMASFEFZLNBU-LLVKDONJSA-N 305.313 -0.232 30 20 DBED Cc1ccc(C#N)c(N2CC[C@@H](NC(=O)CNC(N)=O)C2)n1 1096323061 WDVQGANRSYLFLK-LLVKDONJSA-N 302.338 -0.375 30 20 DBED CNC(=O)NCC(=O)N[C@H]1C[C@H](N=c2cc(C)[nH]cc2C#N)C1 1097109873 LPDCXNDRPOHNMS-HAQNSBGRSA-N 316.365 -0.328 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H]1C[C@@H](Nc2nccn3nnnc23)C1 1097221015 JNSSLYZOVZDXJN-MXWKQRLJSA-N 315.337 -0.383 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H]1CCCCN1C(=O)CNC(N)=O 1097473359 NAIIPWUFEWGFCE-GFCCVEGCSA-N 316.365 -0.164 30 20 DBED C[C@H](CNC(=O)c1ccc(C#N)[nH]1)Nc1nccn2nnnc12 1097758532 HDOIPGYANOPMKH-MRVPVSSYSA-N 311.309 -0.051 30 20 DBED C[C@H](CNC(=O)c1cn(C)c(=O)n1C)N=c1cc[nH]c(C#N)n1 1097895406 VPGYKYZDHJUFAE-SECBINFHSA-N 315.337 -0.962 30 20 DBED C[C@H](CNC(=O)C[C@H]1CCNC1=O)Nc1nccnc1C#N 1098098178 VHWHUWBNQUGUTP-NXEZZACHSA-N 302.338 -0.209 30 20 DBED C[C@H](CCNC(=O)CN1CCCC1=O)N=c1cc[nH]c(C#N)n1 1098817163 HJJDXXJHZQGVEB-LLVKDONJSA-N 316.365 -0.301 30 20 DBED C[C@@H](CCNC(=O)C1CS(=O)(=O)C1)Nc1cncc(C#N)n1 1099521251 LZQUPJOMJDKUIM-VIFPVBQESA-N 323.378 -0.300 30 20 DBED C[C@H](CCNC(=O)C(C)(C)C(N)=O)N=c1cc[nH]c(C#N)n1 1099563941 BMLMTIOGNALQJZ-SECBINFHSA-N 304.354 -0.412 30 20 DBED C=CCCCCCN1CC[C@H](NC(=O)Cn2cnnn2)[C@H](O)C1 1099645134 MVHIOKNYNXEBDF-UONOGXRCSA-N 322.413 -0.029 30 20 DBED N#CCSCC(=O)N[C@@H]1CCN(CCn2cncn2)C[C@H]1O 1099686080 ABPUFHQZLCQCBB-VXGBXAGGSA-N 324.410 -0.914 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2cnsn2)[C@@H](O)C1 1099690313 NJKQHRGNHVXOSB-PWSUYJOCSA-N 310.379 -0.647 30 20 DBED CC(C)C#CC(=O)N[C@H]1CCN(CCN2CCNC2=O)C[C@H]1O 1099824726 YECAEVVXNLPBKJ-UONOGXRCSA-N 322.409 -0.778 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)CCc2cnn[nH]2)[C@H](O)C1 1100011586 RNTBWHSSHJTKEW-ZIAGYGMSSA-N 323.397 -0.509 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)CCCS(C)(=O)=O)[C@@H](O)C1 1100032495 WJNGDOAAIARHSP-STQMWFEESA-N 318.439 -0.061 30 20 DBED CN(CCNC(=O)CN1CCOCC1)c1ccnc(C#N)n1 1100065575 KYKOADKGVRTHIQ-UHFFFAOYSA-N 304.354 -0.767 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2nonc2C)[C@@H](O)C1 1100136889 UIJUHEZCAFCQGE-RYUDHWBXSA-N 308.338 -0.807 30 20 DBED COCC#CCNC1CC(CNC(=O)c2cnn(C)c2N)C1 1100263946 PWGCASPEQCGRFK-UHFFFAOYSA-N 305.382 -0.250 30 20 DBED CN(CCNc1cnc(C#N)cn1)C(=O)[C@@H]1CCN(C)C1=O 1101907601 JNVSZRSIVUFLBE-LLVKDONJSA-N 302.338 -0.303 30 20 DBED CN(CCNc1ccc(C#N)nn1)C(=O)c1nnc(O)nc1O 1102050346 JPXCBKYSKXBPFR-UHFFFAOYSA-N 316.281 -0.871 30 20 DBED C[C@@H](CC(N)=O)C(=O)N(C)[C@@H]1CCN(c2ccc(C#N)nn2)C1 1102752322 FFEZQMBPJBJCMT-CMPLNLGQSA-N 316.365 -0.103 30 20 DBED CC[C@@H](CNC(=O)c1nnn(C)n1)Nc1cnc(C#N)cn1 1103276226 YZEOKEAPADBBFP-QMMMGPOBSA-N 301.314 -0.508 30 20 DBED N#Cc1nc(=NC[C@H]2CCCN2C(=O)CCNC(N)=O)cc[nH]1 1103804663 XXAXYNLAYYJBMZ-SNVBAGLBSA-N 317.353 -0.769 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)c1cnnc(O)c1 1104114602 IKVCUASHCLYFCI-SECBINFHSA-N 313.321 -0.256 30 20 DBED COCCOCC(=O)N(C)[C@@H](C)CN=c1cc[nH]c(C#N)n1 1104529676 HFSUSKYMHZFLCN-NSHDSACASA-N 307.354 -0.308 30 20 DBED CC(=O)N[C@@H](C)C(=O)NC[C@H](O)CNc1ncccc1C#N 1105735196 MFURMZOMVPVVBU-JOYOIKCWSA-N 305.338 -0.633 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)C2CCC(O)CC2)nn1 1105803601 FRLPWZLATWHGRZ-KGPNIALWSA-N 319.365 -0.212 30 20 DBED CCOCCOCC(=O)NC[C@H](O)CNc1cncc(C#N)n1 1105872839 ZXPHCTXLDBROER-GFCCVEGCSA-N 323.353 -0.710 30 20 DBED Cc1nc[nH]c1CC(=O)NC[C@@H](O)CNc1cncc(C#N)n1 1105921046 WHYSQDMTOQWMAN-NSHDSACASA-N 315.337 -0.489 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H](O)CNc1cc(COC)ncn1 1105971262 WGRXYTNQTUWRPW-AAEUAGOBSA-N 322.365 -0.450 30 20 DBED Cc1cc(C#N)nc(NC[C@H](O)CNC(=O)[C@H](C)CC(N)=O)n1 1106060091 NLJZEPYUBDQGTC-LDYMZIIASA-N 320.353 -0.943 30 20 DBED Cc1nc(C(=O)NC[C@H](O)CN=c2cc[nH]c(C#N)n2)cs1 1106073194 QXMFLTYNZBDBAD-SECBINFHSA-N 318.362 -0.262 30 20 DBED Cc1ncc(C(=O)NC[C@@H](O)CN=c2cc[nH]cc2C#N)n1C 1106093037 SRDDLINHZFPUHC-LBPRGKRZSA-N 314.349 -0.380 30 20 DBED C[C@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)CC(=O)N(C)C 1106597082 MSRNECTYHVBHLZ-SNVBAGLBSA-N 304.354 -0.445 30 20 DBED C=CCNC(=O)CNC[C@@H]1CN(C(=O)Cc2cnc[nH]2)C[C@H]1C 1106704901 HZIMRXPHHJDZBG-CHWSQXEVSA-N 319.409 -0.062 30 20 DBED CCN(CCNc1ccc(C#N)nn1)C(=O)[C@H]1CN(C)CCO1 1106710151 YKJPODHEDCEPPD-CYBMUJFWSA-N 318.381 -0.061 30 20 DBED CCc1nc(C#N)cc(NC[C@@H](C)NC(=O)[C@H](C)NC(N)=O)n1 1107691646 IEUOVFXVMFKVSE-BDAKNGLRSA-N 319.369 -0.116 30 20 DBED C[C@H](CN=c1cc[nH]cc1C#N)NC(=O)CN1C(=O)CCC1=O 1107753037 QYHNRNOGLLOSGC-SNVBAGLBSA-N 315.333 -0.559 30 20 DBED Cn1ncc(CN2CCO[C@@](C)(CNC(=O)C#CC3CC3)C2)n1 1107933165 ZREWDKROXKOCSS-INIZCTEOSA-N 317.393 -0.064 30 20 DBED CN(CC(=O)NC[C@@]1(C)CN(CC#N)CCO1)C(=O)C1CC1 1107979556 IHPBWXQAWXEKSG-HNNXBMFYSA-N 308.382 -0.415 30 20 DBED C[C@H](CNc1ccc(C#N)cn1)NC(=O)c1nnc(O)nc1O 1108208520 KNQKZBZBIZJMPA-SSDOTTSWSA-N 315.293 -0.220 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)[C@@H]2CCC(=O)N(C)C2)C1 1108422517 VUFSUTHPNBNUJI-CZUORRHYSA-N 307.394 -0.305 30 20 DBED C[C@H](CN(C)c1cnc(C#N)cn1)NC(=O)[C@@]1(C)CNC(=O)C1 1109155558 NAROQVADEIMIPQ-MEBBXXQBSA-N 316.365 -0.185 30 20 DBED N#Cc1cnc(NC2(CNC(=O)CNC(=O)C3CC3)CC2)cn1 1110061959 WILAVOWNTBAJTA-UHFFFAOYSA-N 314.349 -0.065 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNc1nc[nH]c2ncnc1-2 1111435739 BHTNBFIHEWIKRK-SECBINFHSA-N 303.326 -0.303 30 20 DBED N#Cc1c[nH]ccc1=NCCN(CCO)C(=O)c1nc[nH]n1 1111496484 IZVGYRUPIPUQER-UHFFFAOYSA-N 301.310 -0.960 30 20 DBED C[C@@H]1OCC[C@@H]1C(=O)N(CCO)CCN=c1cc[nH]c(C#N)n1 1111497705 NXUGNWHUUQFRGZ-RYUDHWBXSA-N 319.365 -0.572 30 20 DBED N#Cc1nc(=NCCN(CCO)C(=O)c2n[nH]cc2F)cc[nH]1 1111555079 NPDPAMWGRIFTII-UHFFFAOYSA-N 319.300 -0.821 30 20 DBED C=CCOCC(=O)NC[C@@H]1COCCN1c1cncc(C#N)n1 1111671127 GGXFJFNXKCQQME-CYBMUJFWSA-N 317.349 -0.128 30 20 DBED CN(CCCN(C)c1cnc(C#N)cn1)C(=O)CNC(N)=O 1112034103 RJUBUNUTEJPUJH-UHFFFAOYSA-N 305.342 -0.699 30 20 DBED CCNC(=O)NC(=O)[C@@H](C)N1CCN(C(=O)[C@H](C)C#N)CC1 1112711456 BNXKRWOSCLZRMU-GHMZBOCLSA-N 309.370 -0.476 30 20 DBED COCC#CCN1CCN(C(=O)c2nc(C)c(C)[nH]c2=O)CC1 1113001343 TWJCQJNIQRLACZ-UHFFFAOYSA-N 318.377 -0.206 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 1113308037 YMHBLFDLHMTICJ-LSDHHAIUSA-N 322.453 -0.145 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)CC(=O)N(C)C)CC1 1113413326 SRNOWNOHUXQCKO-LBPRGKRZSA-N 310.398 -0.700 30 20 DBED Cc1c(C(=O)NC2[C@H]3CN(CC(=O)NCC#N)C[C@H]23)cnn1C 1113856284 BCTYTIFWKFIAEF-RYUDHWBXSA-N 316.365 -0.972 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)c3cccc(C)n3)[C@@H]2C1 1113864273 KKJNWYABGUFLMS-CHWSQXEVSA-N 312.373 -0.201 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)c3cc(C)[nH]n3)[C@H]2C1 1113948289 PFYCANYANJJWGA-CIQGVGRVSA-N 315.377 -0.484 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)C(=O)C(C)(C)C)[C@@H]2C1 1114072410 RPRXAWNWLNGJHK-GHMZBOCLSA-N 305.378 -0.603 30 20 DBED C#CCO[C@H](C)C(=O)NC1[C@@H]2CN(CC(=O)NCC3CC3)C[C@@H]12 1114271151 QEVSUNKMSSPMEA-MRVWCRGKSA-N 319.405 -0.403 30 20 DBED N#Cc1cncc(N2C[C@H]3[C@H](CNC(=O)Cn4nccn4)[C@H]3C2)n1 1114580813 UMCZDCZPOSQODJ-XYYAHUGASA-N 324.348 -0.562 30 20 DBED C#CCN1C[C@H]2[C@H](NC(=O)CCc3c(C)nc(O)nc3O)[C@H]2C1 1114647419 HWYGSFWNPMUVRK-IMRBUKKESA-N 316.361 -0.192 30 20 DBED C=C1CC(C)(C(=O)N[C@H]2[C@@H]3CN([C@@H](C)C(=O)NC(N)=O)C[C@@H]32)C1 1114806564 YDHYAOMPDMOHAM-NNYUYHANSA-N 320.393 -0.028 30 20 DBED N#CCN1C[C@H]2[C@H](NC(=O)CNC(=O)C3CCOCC3)[C@H]2C1 1114989795 VGZOJGHXQMPBGD-IMRBUKKESA-N 306.366 -0.901 30 20 DBED C[C@H](CN(C)C(=O)[C@@H]1COCCO1)N=c1cc[nH]c(C#N)n1 1115654653 HSBKBZMUEKIAIY-MNOVXSKESA-N 305.338 -0.556 30 20 DBED C[C@H](OC(=O)CC[C@@H]1NC(=O)NC1=O)C(=O)N(C)CCC#N 1115818695 QLFLGJQXWYIJFC-IUCAKERBSA-N 310.310 -0.722 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCOC[C@@H]1c1ccco1 1117437254 WMQAMKCNZSXMGR-GFCCVEGCSA-N 306.318 -0.055 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H](C)[C@H]2CCOC2)C1=O 1117724466 HGHCODKJACBOCH-AVGNSLFASA-N 323.393 -0.227 30 20 DBED N#CC[C@]1(O)CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 1118280168 SKSUKJHMNOXWNI-ZDUSSCGKSA-N 306.278 -0.366 30 20 DBED CN1CCC[C@H]1C(=O)NC[C@H](CO)Nc1cnc(C#N)cn1 1121242832 ROQFWUDAAIUQFN-NEPJUHHUSA-N 304.354 -0.669 30 20 DBED C[C@@H](C(=O)NC[C@@H](CO)Nc1cncc(C#N)n1)n1cncn1 1121345864 HHMQHDSEMCLMGG-ONGXEEELSA-N 316.325 -0.910 30 20 DBED CN1CC[C@@H](C(=O)NC[C@H](CO)Nc2ccc(C#N)nn2)C1 1121588535 BTYXHHMRALPOAR-ZYHUDNBSSA-N 304.354 -0.811 30 20 DBED CN1CC[C@H](CC(=O)NC[C@H](CO)N=c2cc[nH]cc2C#N)C1 1121806680 MWSFBBLZUVTMJA-TZMCWYRMSA-N 317.393 -0.394 30 20 DBED C[C@]1(C(=O)NC[C@H](CO)Nc2ccc(C#N)nc2)CCNC1=O 1122544044 QWQIKLNAWYKTTP-DOMZBBRYSA-N 317.349 -0.632 30 20 DBED N#Cc1ccc(NC[C@@H]2CC[C@H](NC(=O)CC(N)=O)C2)nn1 1123750312 ASBRFSYCPIBUCH-ZJUUUORDSA-N 302.338 -0.080 30 20 DBED CCc1nc(C#N)cc(NC[C@H](O)CN(C)C(=O)COC)n1 1124024069 LBJYVZVUFXHNNR-NSHDSACASA-N 307.354 -0.212 30 20 DBED CN(C[C@H](O)CNc1nccnc1C#N)C(=O)c1cnns1 1124091529 SKVBLLFBRRUTBL-MRVPVSSYSA-N 319.350 -0.255 30 20 DBED C#CCOCCC(=O)N(C)C[C@H](O)CNc1nccnc1C#N 1124520543 USVLOLHUKPSJHI-GFCCVEGCSA-N 317.349 -0.381 30 20 DBED C=C(C)CN(CC)C(=O)CNCCNC(=O)[C@@H](C)n1cncn1 1125931586 XQVVLNMJMUWPNO-CYBMUJFWSA-N 322.413 -0.031 30 20 DBED N#Cc1cc(C(=O)NCCNC[C@@H]2CCS(=O)(=O)C2)c[nH]1 1125987894 HCNLNKYTCVYBNV-JTQLQIEISA-N 310.379 -0.360 30 20 DBED CN(CCOCCN=c1cc[nH]c(C#N)n1)C(=O)CC(C)(C)O 1127301006 XDBRGIKHXOYASN-UHFFFAOYSA-N 321.381 -0.182 30 20 DBED C=CCOCC(=O)N[C@H]1CCc2nnc(CNCC#N)n2CC1 1127959311 YXRAKFCKAXIPOT-LBPRGKRZSA-N 318.381 -0.085 30 20 DBED N#Cc1ccccc1CNCCNC(=O)C1CS(=O)(=O)C1 1128108011 GCFOOFCCSZRARB-UHFFFAOYSA-N 307.375 -0.191 30 20 DBED N#CCN1CC[C@@H](c2n[nH]cc2CNC(=O)Cn2cnnn2)C1 1130342301 FOSVLGNKUHUANF-SNVBAGLBSA-N 315.341 -0.975 30 20 DBED C#CCOCCC(=O)N[C@H](C)C[C@@H](C)NCCOCCO 1134353118 VWVPNUYDYQMGKW-ZIAGYGMSSA-N 300.399 -0.092 30 20 DBED C=CCOCCNCCNC(=O)C1(n2cnnn2)CCOCC1 1135110444 CNFRVWPXSCCCRB-UHFFFAOYSA-N 324.385 -0.913 30 20 DBED C#CCN[C@@H](C)C[C@H](C)NC(=O)Cn1[nH]cc2c(=O)ncnc1-2 1135695868 WMQAHOCMDOZIHI-QWRGUYRKSA-N 316.365 -0.423 30 20 DBED C#CCN[C@@H](C)C[C@H](C)NC(=O)c1cn(CC(=O)N(C)C)nn1 1146584978 VRZHKMFWODHYMW-RYUDHWBXSA-N 320.397 -0.514 30 20 DBED C[C@H](C[C@@H](C)NC(=O)CCCC(N)=O)NCC(=O)NCC#N 1146798116 OKCLAKHZZVLKQJ-GHMZBOCLSA-N 311.386 -0.845 30 20 DBED CC(C)(C)C(=O)C(=O)N1CC2(CCN(CC(=O)NCC#N)C2)C1 1147246662 YNVIUMFZLQBBQC-UHFFFAOYSA-N 320.393 -0.224 30 20 DBED N#CCN1CCCO[C@H](CNC(=O)Cn2ccccc2=O)C1 1150699723 MWHKWBMKJLQLST-CYBMUJFWSA-N 304.350 -0.421 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)c1cc(C)n(C)n1 1152165050 OUHNFQZSRXIQAJ-GFCCVEGCSA-N 320.397 -0.192 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)c1cc(C)ncn1 1152774329 BHZMPYDPAUYWMF-GFCCVEGCSA-N 318.381 -0.135 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)CCc1ncc[nH]1 1153114418 BRQJAVJJYHQDIM-GFCCVEGCSA-N 320.397 -0.191 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)[C@H]1C[C@@H](C)CC(=O)N1 1158274615 AOYMXNFWKQAZKQ-FRRDWIJNSA-N 324.425 -0.312 30 20 DBED COCC#CCN1CC=C(CCNC(=O)[C@@H]2CNC(=O)N2)CC1 1161051481 XLXCXXQRNARQCF-AWEZNQCLSA-N 320.393 -0.544 30 20 DBED C#CCN1CCC(CNC(=O)CC(=O)NCC)(COC)CC1 1162218924 LWJXDMLBSALPCF-UHFFFAOYSA-N 309.410 -0.009 30 20 DBED C=CCNC(=O)CNCCCNC(=O)c1ccoc1CC(N)=O 1164651519 XCLDCMGKVIDGPL-UHFFFAOYSA-N 322.365 -0.681 30 20 DBED C=C(Br)CNCCCNC(=O)[C@@H]1CNC(=O)N1 1165468742 SRTCEBQIWGQGBX-QMMMGPOBSA-N 305.176 -0.328 30 20 DBED C=CCOCCNCCCNC(=O)[C@@H](C)NS(C)(=O)=O 1167323859 NDAATFNUGUFGAL-LLVKDONJSA-N 307.416 -0.777 30 20 DBED C#CCNCCCC[C@@H](C)NC(=O)CN1C(=O)C(=O)N(C)C1=O 1175555718 IQBDWJDTJPXMGZ-LLVKDONJSA-N 322.365 -0.695 30 20 DBED CC#CCNCCCC[C@@H](C)NC(=O)[C@H]1CCS(=O)(=O)N1 1176639395 UWFNWRJETJAOBE-CHWSQXEVSA-N 315.439 -0.034 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)Cc2nonc2C)[C@H]1C 1179817345 FMXZYUNOHGPRFW-RYUDHWBXSA-N 321.381 -0.198 30 20 DBED C=CCOCC(=O)N1CC[C@@H](N[C@@H](C)C(=O)NC(=O)NC)C1 1181624406 FRXDCLFWMMMEFC-WDEREUQCSA-N 312.370 -0.776 30 20 DBED C=CCNC(=O)CN1C[C@@H]2CCN(C(=O)[C@H]3COCCO3)[C@@H]2C1 1186908697 POMALZFBJPNVND-BFHYXJOUSA-N 323.393 -0.763 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)[C@@]34COC[C@@H]3C4)[C@@H]2C1 1187971683 WWQGYGRLWNBRIH-ZJOBFFGXSA-N 317.389 -0.695 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CN(Cc2nn(C)cc2Cl)C[C@H]1O 1191873081 SDESSSANYCPKFG-XXILOJSOSA-N 311.773 -0.106 30 20 DBED CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CC[C@H](N(C)CC#N)C1 1192151676 BQAWCVXGMSKBSG-KBPBESRZSA-N 318.381 -0.487 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)/C=C\c2ccc[nH]2)C1 1192453343 LNEVNEWSCPRUMU-HLMASZERSA-N 318.377 -0.509 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2cncn2C)C[C@H]1O 1192844120 JAEQFOXHXWEYDQ-IACUBPJLSA-N 306.366 -0.880 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)COCc2ccc(OC)nc2)C1 1194119402 VOOXDLMETMCSFH-ZIAGYGMSSA-N 321.377 -0.046 30 20 DBED N#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C2(F)CCCC2)C1 1194298476 GBLMEYCPVXYRKA-GHMZBOCLSA-N 312.345 -0.930 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)Cn2ccnc2)C1 1194449637 WASNSARFMIUGPA-ZDUSSCGKSA-N 305.382 -0.282 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCCN(C(=O)c2nnn(C)n2)CC1 1196782643 PKDYHOJGAOUOQT-LLVKDONJSA-N 321.385 -0.951 30 20 DBED C#CCNC1CCN(C(=O)[C@H](CCC)S(N)(=O)=O)CC1 1201808710 FACLXVLBPGHILP-LBPRGKRZSA-N 301.412 -0.343 30 20 DBED CC[C@@H](C)C(=O)NCC(=O)N1CCCO[C@H](CNCC#N)C1 1202088362 SWCNNZXCIRVQJW-CHWSQXEVSA-N 310.398 -0.121 30 20 DBED C=CCNC(=O)CN[C@@H]1C[C@@H](NC(=O)CC(N)=O)C12CCC2 1202653362 HEEZRVKDCFZLIA-GHMZBOCLSA-N 308.382 -0.819 30 20 DBED C=CCN[C@H]1C[C@H](NC(=O)CS(=O)(=O)NC)C12CCC2 1203743167 REXAYIKZMHBHSY-QWRGUYRKSA-N 301.412 -0.261 30 20 DBED COCC#CCN1C[C@@H](NC(=O)[C@@H](C)n2cncn2)[C@H](C)C1 1206878244 FSEYBEOUXWPFOC-MGPQQGTHSA-N 305.382 -0.075 30 20 DBED COCC#CCN1C[C@@H](NC(=O)[C@H]2CCC(=O)NC2)[C@H](C)C1 1207795930 OSSLREKYQGSTOS-HZSPNIEDSA-N 307.394 -0.401 30 20 DBED N#CCN[C@@H]1CCCN(C(=O)CNC(=O)c2cscn2)C1 1210512165 MMOZARVQRCAIER-SNVBAGLBSA-N 307.379 -0.023 30 20 DBED CO[C@@H]1CN(CC(=O)N(C)C2CC2)C[C@H]1NC(=O)[C@@H](C)C#N 1212039955 YVROPTMPVDTDTG-CYZMBNFOSA-N 308.382 -0.418 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)CCCNC(=O)C1CC1 1212365646 DLWPGBLUHIGQKC-CHWSQXEVSA-N 308.382 -0.368 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2cnn(C)c2)C[C@@H]1O 1219605386 QQJUQNRXSBHMDS-BNOWGMLFSA-N 306.366 -0.880 30 20 DBED C=CCCCN1C[C@H](O)[C@H](NC(=O)[C@H](C)NC(=O)COC)C1 1219675182 QDRWUZYWIJOGRZ-XQQFMLRXSA-N 313.398 -0.735 30 20 DBED C=CCCCN1C[C@H](O)[C@H](NC(=O)c2ccc3nnnn3c2)C1 1219998623 VEWUXVZIJNJULH-OLZOCXBDSA-N 316.365 -0.135 30 20 DBED CC#CCCCC(=O)N[C@@H]1CN(Cc2nnn(C)n2)C[C@@H]1O 1220175560 AQUQEQNLHGATGY-NEPJUHHUSA-N 306.370 -0.935 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)CNC(=O)Cc2ccccc2)C1 1220918344 VZVQHTZADWPVDL-CABCVRRESA-N 317.389 -0.307 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@@H](C(C)C)N2CCCC2=O)C1 1221164555 LWROEQXPNDZZGG-IJEWVQPXSA-N 321.421 -0.182 30 20 DBED N#CCN[C@@H]1CCCN(C(=O)CCNC(=O)[C@H]2CCCO2)C1 1222122406 IGCLQXMSMZZTAS-CHWSQXEVSA-N 308.382 -0.224 30 20 DBED C=CCOCC(=O)N1CC[C@H]2CCN(Cc3nnnn3C)[C@H]2C1 1222458268 JRBGFPUYFACQIA-OLZOCXBDSA-N 320.397 -0.165 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)[C@H]2CO[C@@H](C)C2)CC1 1228066595 XEZRHAHUSKUSRD-QWHCGFSZSA-N 307.394 -0.259 30 20 DBED C#CCN1CCS(=O)(=O)[C@@H](CCNC(=O)c2ncc[nH]2)C1 1230459864 KXWFCUJQMHDNNQ-NSHDSACASA-N 310.379 -0.738 30 20 DBED CN(C[C@@H]1CCN1CC(=O)NCC#N)C(=O)[C@@H]1CCCOC1 1231178870 OFRYSXSGLFKARF-OLZOCXBDSA-N 308.382 -0.415 30 20 DBED C=CCOCC(=O)N(C)C[C@H]1CCN1CCN1C(=O)CNC1=O 1231241696 XHXOBNZPZQOHCX-GFCCVEGCSA-N 324.381 -0.727 30 20 DBED CN(C[C@H]1CCN1CC(=O)NCC#N)C(=O)CCOCC1CC1 1234267356 XVVVUCLXZAFHCS-CQSZACIVSA-N 322.409 -0.024 30 20 DBED C#CCNC(=O)COC(=O)CCc1nc(O)c2cnn(C)c2n1 1318296496 DDBYYXNQKAHQHW-UHFFFAOYSA-N 317.305 -0.706 30 20 DBED C=CCCO[C@@H](C)C(=O)N[C@@H]1CCN(CC(=O)NC(N)=O)C1 1318318857 CMLJRASQCPBTHI-WDEREUQCSA-N 312.370 -0.647 30 20 DBED C[C@@H]1CCN(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)[C@@H]1CO 1320606026 KCZYSFCSLFAUAV-ICBKXBRDSA-N 322.365 -0.075 30 20 DBED N#CCn1cc(NC(=O)C(=O)NCCOCC(F)F)cn1 1320981034 IMGDPNYTRUVURB-UHFFFAOYSA-N 301.253 -0.257 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)NCc2nc(C3CC3)no2)CCO1 1321898131 ABLWOIDYILIROE-VIFPVBQESA-N 305.294 -0.686 30 20 DBED CON(C)C(=O)C1CCN(C(=O)NCC(=O)NCC#N)CC1 1324054944 ZUXVGUIVUBYFCF-UHFFFAOYSA-N 311.342 -0.932 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCC[C@@H](OC)C1 1324425136 VBZOZFNGCKMMEV-LLVKDONJSA-N 318.395 -0.659 30 20 DBED C=CC1CCN(C(=O)C(=O)Nc2ncn(CC(=O)NC)n2)CC1 1325171867 GYQVFRWZBDAZTM-UHFFFAOYSA-N 320.353 -0.613 30 20 DBED C=CCn1cc(CNC(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)nn1 1325897025 QQZWHQAIINHQLZ-MNOVXSKESA-N 308.342 -0.704 30 20 DBED Cc1cc(NC(=O)C(=O)N2CC[C@](O)(CC#N)C2)c(=O)n(C)c1 1328219871 ITNXDHVYWFRWNE-OAHLLOKOSA-N 318.333 -0.491 30 20 DBED CCONC(=O)CNC(=O)C(=O)N[C@H](C)c1ccc(C#N)cc1 1328883453 IJKLGZYKTXNDHD-SNVBAGLBSA-N 318.333 -0.081 30 20 DBED C=CCS(=O)(=O)CCNC(=O)NCc1cnnn1CC 1329175169 MVQJOKWCLAOYJY-UHFFFAOYSA-N 301.372 -0.302 30 20 DBED C#CCN(C(=O)C(=O)N1CC[C@H](S(=O)(=O)NC)C1)C(C)C 1335689890 OZKUYRXNUVKIEF-NSHDSACASA-N 315.395 -0.993 30 20 DBED CS/C=C\C(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1 1341905347 ZMDNTHQXUNLZKK-ANTNXHBISA-N 302.377 -0.171 30 20 DBED C#C[C@@H](C)OC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 1343308436 FTBKTHRRJOUWPB-ZJUUUORDSA-N 312.347 -0.283 30 20 DBED C#C[C@H](C)N(C)c1nnc(C2=NNC(=O)C2)n1C[C@H]1CCOC1 1345284185 OAQVLJKZEOTFDC-WDEREUQCSA-N 316.365 -0.004 30 20 DBED O=C(C[C@H]1CSCCN1)NCCN/C(O)=C1\N=CC=CC1=O 1346029875 UWTJCVLRCMIGPK-NJERVBSYSA-N 324.406 -0.276 30 20 DBED C#Cc1ccc(C(=O)N(C)Cc2nnc3n2CCNC3=O)nc1 1350450610 FZLCQLYAMCVNIB-UHFFFAOYSA-N 310.317 -0.330 30 20 DBED C#CCSCCNC(=O)C(=O)N1CCC[C@@H]1C1OCCO1 1354623043 GYSMFMQSAIMVKQ-LLVKDONJSA-N 312.391 -0.167 30 20 DBED CC[C@H](C[C@@H](C)CO)NC(=O)Cn1cc(C#N)c(O)nc1=O 1362246692 WFEHKFWYZCWDSY-MWLCHTKSSA-N 308.338 -0.266 30 20 DBED N#Cc1cn(CCNC(=O)CCC2(O)CCC2)c(=O)nc1O 1363128466 NGWVZTZMBBOALI-UHFFFAOYSA-N 306.322 -0.368 30 20 DBED Cc1cc(NC(=O)CN2CC(CNC(=O)[C@H](C)C#N)C2)n(C)n1 1366960775 GXEFFBUACLQJNS-SNVBAGLBSA-N 318.381 -0.125 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN([C@H](C)C(=O)N2CCCCC2)C1 1368288609 LLDPTZJGKVNRNA-QWHCGFSZSA-N 322.409 -0.290 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]1CN(C)C(=O)CCn1cnnn1 1371636252 YAUBXHWJUAUPSC-GHMZBOCLSA-N 305.342 -0.718 30 20 DBED CC(=O)N[C@H](C)C(=O)NC[C@H](O)CNCc1ccccc1C#N 1379156860 AAJCAXNUTYQBNT-IAQYHMDHSA-N 318.377 -0.350 30 20 DBED C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)N(C)C(=O)[C@H](C)CC(N)=O 1380676189 XDNNFADAKUXZNG-ZJUUUORDSA-N 319.365 -0.025 30 20 DBED COCCC1(C(=O)N(C)C[C@@H](O)CNC(=O)[C@H](C)C#N)CC1 1396021310 ZVKYTRMQDIVULT-NEPJUHHUSA-N 311.382 -0.102 30 20 DBED CC(=O)N[C@@H](C)C(=O)N1CC(NC(=O)c2cc(C#N)c[nH]2)C1 1398581414 ZWZTTZRGYLRIFW-QMMMGPOBSA-N 303.322 -0.648 30 20 DBED C[C@@H](CC(N)=O)C(=O)NC[C@H](O)CNCc1ccccc1C#N 1401546644 BPOZBOPSXISQBM-SMDDNHRTSA-N 318.377 -0.364 30 20 DBED N#Cc1ccc(CNC[C@@H](O)CNC(=O)c2cnn[nH]2)c(F)c1 1401556575 IQEVYRFFSSGTFB-LLVKDONJSA-N 318.312 -0.304 30 20 DBED CNC(=O)NCCC(=O)N1CC[C@H](N(C)C(=O)[C@@H](C)C#N)C1 1407216230 NEJXROIAMGQAHT-QWRGUYRKSA-N 309.370 -0.476 30 20 DBED C[C@H]1[C@@H](C)N(C(=O)Cn2cc(C#N)c(O)nc2=O)CC[S@@]1=O 1412089271 WFCTWJWHSNAEFP-PCVAMMEBSA-N 324.362 -0.812 30 20 DBED COC(=O)C1(C#N)CCN(C(=O)[C@H]2CCS(=O)(=O)C2)CC1 1412102603 SMPKGWANSHBHCJ-JTQLQIEISA-N 314.363 -0.274 30 20 DBED C[C@H](NC(=O)CCn1cc(C#N)c(O)nc1=O)c1nncn1C 1417612005 XBZHVWYURLPLHF-QMMMGPOBSA-N 317.309 -0.783 30 20 DBED C[C@@H](C#N)C(=O)NCC1CN(CC(=O)N2CCO[C@H](C)C2)C1 1419011923 XQDGAVFNSYNIAX-NWDGAFQWSA-N 308.382 -0.559 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](CNC(=O)CCc1nc[nH]n1)C1CC1 1427892801 DLAREDKOLDAOMV-GXSJLCMTSA-N 304.354 -0.092 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CCN(C(=O)CN(C)C(=O)C2CC2)C1 1428868931 GECPFTRNUQUGIA-NEPJUHHUSA-N 320.393 -0.021 30 20 DBED CN(CCNC(=O)CO[C@H]1CCOC1)C(=O)c1c[nH]c(C#N)c1 1448854606 XHFPERAETAEXML-ZDUSSCGKSA-N 320.349 -0.120 30 20 DBED CCC(=O)N1CC[C@H](C(=O)N2CC(CNC(=O)[C@@H](C)C#N)C2)C1 1450715435 SJJULJZIIANIPI-AAEUAGOBSA-N 320.393 -0.021 30 20 DBED Cn1ncc(C(=O)NCC2(NC(=O)c3ccc(C#N)[nH]3)CC2)n1 1459017228 CNPVIOVJYQZECS-UHFFFAOYSA-N 313.321 -0.293 30 20 DBED COC(=O)CNC(=O)[C@@H]1CCCN1C(=O)c1cc(C#N)c[nH]1 1469186247 JKTAIMQWXFMKDF-NSHDSACASA-N 304.306 -0.220 30 20 DBED C=C(Br)CNC[C@@H](O)CNC(=O)[C@H]1CCN(C)C1 1482790653 GXDWPKZWJVXGPK-WDEREUQCSA-N 320.231 -0.087 30 20 DBED C[C@H](CN(C)C(=O)c1cc(C#N)c[nH]1)NC(=O)[C@@H]1CCC(=O)N1 1487743111 LDAJLWKYVXESHN-KOLCDFICSA-N 317.349 -0.258 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](C)CCNC(=O)c1ccc2nnnn2c1 1495595265 STEQFJGUAJCPMH-VHSXEESVSA-N 315.337 -0.091 30 20 DBED CCN(CCNC(=O)CN1CCC(=O)NC1=O)C(=O)[C@H](C)C#N 1496988863 CHTMZVRDAPQBGG-SNVBAGLBSA-N 323.353 -0.947 30 20 DBED CN(Cc1cnn(C)c1)c1nnc(Cn2cnc(C#N)n2)n1C 1518511306 JZBCAWNLKNYDLK-UHFFFAOYSA-N 312.341 -0.304 30 20 DBED C[C@H](CNC(=O)c1cnc2[nH]nnc2c1)CNC(=O)[C@@H](C)C#N 1532274086 KNJAYRVXYIZWTC-IUCAKERBSA-N 315.337 -0.005 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@H]1CCCN(C(=O)CNC(=O)O)C1 1573311718 XICUOMHYWXQRPM-NWDGAFQWSA-N 324.381 -0.780 30 20 DBED C=CCCOCC(=O)N[C@H]1CCN(C(=O)CNC(=O)O)[C@H]1C 1573360854 ZGXPHRBELMOFNR-QWRGUYRKSA-N 313.354 -0.048 30 20 DBED C=CCNC(=O)[C@@H](C)NC[C@H](C)N(C)C(=O)CNC(=O)O 1573369045 WBPJMBAIUSDXDC-VHSXEESVSA-N 300.359 -0.619 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](C)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 1573584634 ZRJWDXSVLFZQDN-JGVFFNPUSA-N 316.325 -0.411 30 20 DBED C=CCN1C(=O)c2ccc(C(=O)N(C)C[C@@H](O)CN)cc2C1=O 1574936917 ZINRNFLVHUNYNF-NSHDSACASA-N 317.345 -0.140 30 20 DBED N#CCC(=O)N1CCN(Cc2cc(-c3nn[nH]n3)ccn2)CC1 1581857300 XCRFBUYEPFVMEE-UHFFFAOYSA-N 312.337 -0.180 30 20 DBED N#Cc1ncc(N[C@H]2CC[C@H](O)[C@H](O)CC2)nc1-c1nn[nH]n1 1581882490 ASIZURXVCNSQII-SLGCYQGISA-N 316.325 -0.395 30 20 DBED C#CCN(C(=O)C(=O)N(C)C[C@@H](C)C(=O)O)C1CCN(C)CC1 1588396376 RWKGQBWWRAMXKQ-GFCCVEGCSA-N 323.393 -0.279 30 20 DBED C=CCCC(=O)NC[C@H](CO)Nc1cncc(-c2nn[nH]n2)n1 1588570587 OSPLXOBJBBDESS-SECBINFHSA-N 318.341 -0.488 30 20 DBED CCC(CC)(NC(=O)CCn1cc(C#N)c(O)nc1=O)C(=O)O 1595090590 IXBRDDJBZKCEQQ-UHFFFAOYSA-N 322.321 -0.030 30 20 DBED C#CCOc1ccc(NC(=O)C(=O)NC[C@](C)(O)C(=O)O)cc1 1609624067 YLXINVXJIHSXBN-HNNXBMFYSA-N 320.301 -0.411 30 20 DBED CC(C)(CC#N)CS(=O)(=O)N1CCNC(=O)[C@H]1CC(=O)O 1609672844 RURZVYAZFSPWLW-SECBINFHSA-N 317.367 -0.469 30 20 DBED C[C@@H](OC(=O)Cc1nc2ncccn2n1)C(=O)N(C)CCC#N 1647074870 YGBMXXSZGOVDJD-SNVBAGLBSA-N 316.321 -0.029 30 20 DBED CC(C)C[C@@H](C(N)=O)C(=O)N[C@H]1C[C@H](NCC(=O)NCC#N)C1 1752690788 GCMKBARPDSAGQL-SRVKXCTJSA-N 323.397 -0.989 30 20 DBED C=CCn1cc(C(=O)N[C@H]2C[C@@H](NCC(=O)N(C)CC)C2)nn1 1752767020 RWRMHJVIWCGFRE-TXEJJXNPSA-N 320.397 -0.207 30 20 DBED C=CCNC(=O)CN[C@H](C)CCNC(=O)C1CN(C(C)=O)C1 1753004996 WAVTZZQISCCROO-LLVKDONJSA-N 310.398 -0.749 30 20 DBED C#CCNC(=O)[C@H](C)N(C)CCNC(=O)Cc1cn(C)nc1C 1753051478 DZHFAXWSLGOARL-ZDUSSCGKSA-N 319.409 -0.543 30 20 DBED C#CCNC(=O)CN1CC[C@H](CNC(=O)CCc2cn[nH]c2)C1 1753136625 YKLRAGLUTADVTR-CQSZACIVSA-N 317.393 -0.470 30 20 DBED N#CCNC(=O)CN(CCNC(=O)[C@H]1CC1(F)F)C1CC1 1753153508 VXWBRTMTNOLUBQ-SNVBAGLBSA-N 300.309 -0.138 30 20 DBED C#CCNC(=O)CN(C)C[C@@H]1CCN(C(=O)c2n[nH]cc2C)C1 1753347812 JJUFLEGRMYDMTD-ZDUSSCGKSA-N 317.393 -0.139 30 20 DBED CN1CC[C@H](C(=O)N[C@@](C)(CNCC(=O)NCC#N)C2CC2)C1 1753528551 ZCIFPVQEHLSBSR-LRDDRELGSA-N 321.425 -0.548 30 20 DBED C#CCOCCC(=O)N(C)[C@@H](C)CN[C@@H]1CCC(=O)NC1=O 1753689431 MMKOZMCSMJFFGR-NWDGAFQWSA-N 309.366 -0.732 30 20 DBED N#CCNCC[C@@H]1CCCCN1C(=O)C[C@H]1CC(=O)NC1=O 1753790822 SXPZNUVHBXFYHT-NEPJUHHUSA-N 306.366 -0.076 30 20 DBED C=CCCNC[C@H](O)CNC(=O)C1(n2cnnn2)CCCCC1 1753924288 YOSULIDJARMQBS-ZDUSSCGKSA-N 322.413 -0.025 30 20 DBED N#CCNC(=O)CNC[C@H](NC(=O)c1cc[n+]([O-])cc1)C1CC1 1754436390 QOXKLHIAVMEQGG-ZDUSSCGKSA-N 317.349 -0.942 30 20 DBED CC#CCN1CC[C@](O)(CNC(=O)[C@H]2CC(=O)N(CC)C2)C1 1754754193 LXXDAJVJZAQBSM-BBRMVZONSA-N 307.394 -0.569 30 20 DBED C=C(C)CCN1CC(O)(CNC(=O)c2cccnc2C(N)=O)C1 1754779593 QJHDBHLSEIYAHL-UHFFFAOYSA-N 318.377 -0.077 30 20 DBED C#CCNC(=O)CN[C@H](C)[C@H]1CCN(C(=O)CN(C)CCC)C1 1754805810 UEELHJMKSGMBDW-CABCVRRESA-N 322.453 -0.096 30 20 DBED CNC(=O)[C@H](C)N1CCC[C@](CO)(NC(=O)C#CC2CC2)C1 1754856049 CBRSNCHVRJKWDS-LRDDRELGSA-N 307.394 -0.523 30 20 DBED CC(=O)N1CC[C@](C)(C(=O)N2CCO[C@@H](CNCC#N)C2)C1 1755011731 BMPDBJBUCVOWQQ-ZFWWWQNUSA-N 308.382 -0.415 30 20 DBED Cn1ncnc1CN1CC2(C[C@H](NC(=O)C#CC3CC3)CO2)C1 1755061406 JYYUWNMJJPWTDX-ZDUSSCGKSA-N 315.377 -0.312 30 20 DBED CC(=O)CCCC(=O)NCC1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]12 1755437056 ZZJJSZAREIVSJZ-KBPBESRZSA-N 320.393 -0.321 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@H]1C[C@H](NC(=O)CC2(O)CCC2)C1 1755471368 UYBWRLAOPPRLHK-IHRRRGAJSA-N 321.421 -0.086 30 20 DBED C#Cc1ccc(C(=O)NCCC[C@@H](C)NC(=O)CC(N)=O)nc1 1756288556 FIMHPZJBJSPZNI-LLVKDONJSA-N 316.361 -0.047 30 20 DBED C=CCOCC(=O)N[C@H](C)CN(C)C(=O)[C@H]1CCC(=O)N1C 1756487517 NPMCWIDIPQKIEJ-VXGBXAGGSA-N 311.382 -0.227 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C1CC(NC(=O)c2cnon2)C1 1756740944 BOHNRACHCJWQBW-WHXUTIOJSA-N 306.322 -0.173 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@H](NC(=O)c2n[nH]cc2C)C1 1757171216 KOTVTMBTIMJDSS-NEPJUHHUSA-N 304.350 -0.177 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccn1C)C2 1800450829 KOEBVRZRYHUAOM-JJLQDPRZSA-N 301.346 -0.139 30 20 DBED CC[C@H](NC(N)=O)C(=O)N1CCCC12CN(C(=O)CC#N)C2 1843336059 ZWHMLUSLALAJGA-JTQLQIEISA-N 307.354 -0.450 30 20 DBED O=C(C#CC1CC1)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cncn1 1847747626 ZGMALRQMFCBLIB-KBPBESRZSA-N 313.361 -0.107 30 20 DBED C=C(C)CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O 29229339 NEUYKBQKOBZILD-JMLLCIOISA-N 321.337 -0.574 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC(=O)NC2CCCC2)C1=O 41293330 DVFSRPQLZLYBIW-UHFFFAOYSA-N 322.321 -0.268 30 20 DBED C=CCNS(=O)(=O)c1ccc(C(=O)N(C)CC(N)=O)cc1 47109662 DOVJDKHKJXLMSI-UHFFFAOYSA-N 311.363 -0.292 30 20 DBED C/N=C(/NC[C@H]1CN(C)CCN1C)N(C)Cc1cnn(C)c1 88799169 FUIZSSAANRKKPA-AWEZNQCLSA-N 307.446 -0.327 30 20 DBED CN(C)CC(=O)N1CCN(CCC(=O)N(C)CCC#N)CC1 92793978 UPFXWMMVWZOMEX-UHFFFAOYSA-N 309.414 -0.546 30 20 DBED C=CCN(C(=O)C[C@@H]1COCCN1)[C@H]1CCS(=O)(=O)C1 262517830 KJOKVURFDPKZMC-NEPJUHHUSA-N 302.396 -0.433 30 20 DBED N#CCN(CC#N)C(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1 263896424 ADPIYXUVLZRLCJ-NSHDSACASA-N 305.319 -0.408 30 20 DBED CC[C@H](CC#N)NC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 273831730 GDIAZJWCPSFWNK-JKKYPKHBSA-N 305.334 -0.043 30 20 DBED CC(C)N1C(=O)C[C@H](NS(=O)(=O)c2ccc(C#N)o2)C1=O 288292824 VNMZRGNAGBJWEV-VIFPVBQESA-N 311.319 -0.035 30 20 DBED C=CCCOCCNC(=O)C(=O)N(C[C@H](C)O)[C@H](C)CO 289422105 PWRLUPGFQMPMGP-NEPJUHHUSA-N 302.371 -0.715 30 20 DBED CCN1CCC[C@@H]1CN/C(N)=N/C[C@H]1CCCS1(=O)=O 305065829 IQVWRWHJPALPMC-VXGBXAGGSA-N 302.444 -0.048 30 20 DBED C[C@H](O)CN1CCN(/C(O)=N/CCN2CCSCC2)CC1 329271975 IIBUWCSZSBZKQB-ZDUSSCGKSA-N 316.471 -0.052 30 20 DBED Cc1ncc(S(=O)(=O)N2CCN3CCOC[C@@H]3C2)cc1C#N 330198983 UVUIWLYQEVGQFO-ZDUSSCGKSA-N 322.390 -0.033 30 20 DBED Cn1nnc(C/N=C(/O)N2CCN(c3ncccc3F)CC2)n1 330335633 ZBWYLFQEONMPPF-UHFFFAOYSA-N 320.332 -0.020 30 20 DBED C=CCN(C(=O)[C@@H](C)NS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 330476028 UMUJMBKKFRNNGM-NXEZZACHSA-N 324.424 -0.874 30 20 DBED C[C@@H]1CN(C(=O)Cn2cnc(C#N)n2)C[C@@]2(CCCOC2)O1 333260816 MAXFBFOQQZTQAF-BXUZGUMPSA-N 305.338 -0.054 30 20 DBED C[C@H](O)[C@H]1CCCCN1S(=O)(=O)N1CCO[C@@H](C#N)C1 336929556 ANGZAHIXCMHJTN-SDDRHHMPSA-N 303.384 -0.309 30 20 DBED CCN1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)[C@H](C)C1=O 337128914 BASFTYUFSZPIMO-MNOVXSKESA-N 316.383 -0.992 30 20 DBED Cc1[nH]nc(NC(=O)CNS(=O)(=O)c2cn(C)cn2)c1C#N 356166584 JATOJPROPAZMFE-UHFFFAOYSA-N 323.338 -0.760 30 20 DBED N#CCNC(=O)CNC(=O)C(=O)Nc1cnc2c(c1)CCCC2 357296736 WKTDOZUGYLEMGV-UHFFFAOYSA-N 315.333 -0.345 30 20 DBED O=C(CNS(=O)(=O)c1c(F)cccc1F)NCC#CCO 412325791 YBYABZZIHMFPJJ-UHFFFAOYSA-N 318.301 -0.645 30 20 DBED C=CCCn1cc(C(=O)N2CCN([C@@H]3CCNC3)CC2)nn1 424171389 KTTHVIZTUWIGEO-CYBMUJFWSA-N 304.398 -0.026 30 20 DBED CN(C)S(=O)(=O)CCCS(=O)(=O)N[C@@H]1CC[C@H](C#N)C1 425189517 MVCAKYQLYNWEFX-WDEREUQCSA-N 323.440 -0.120 30 20 DBED C=CCNC(=O)c1ccc(NC(=O)C(=O)N(C)CCO)cc1 445928952 CHSMBIWWKCZFOD-UHFFFAOYSA-N 305.334 -0.008 30 20 DBED COC(=O)[C@H]1CNC(=O)CN1CC(=O)N[C@](C)(C#N)C(C)C 447907420 RMOAKTNVHAQTPH-QMTHXVAHSA-N 310.354 -0.986 30 20 DBED C#C[C@H](CC)NC(=O)C(=O)Nc1cnn(CC(=O)OC)c1C 491709845 SHISVMDSLTXTPS-SNVBAGLBSA-N 306.322 -0.169 30 20 DBED CC[C@](C)(C#N)NC(=O)c1nc(N)nc(N2CCOCC2)n1 566072545 DKBNKMNPMOUCAH-CYBMUJFWSA-N 305.342 -0.288 30 20 DBED CN(C)C[C@@H](O)CNCCS(=O)(=O)c1ccc(C#N)cn1 571642757 SPDMITLTTNDCCU-LBPRGKRZSA-N 312.395 -0.761 30 20 DBED COc1ccc(NC(=O)C(=O)N2CC[C@](O)(CC#N)C2)cn1 592304903 XNBNBAZCMAVNKY-CQSZACIVSA-N 304.306 -0.094 30 20 DBED COCC1(CS(=O)(=O)NCCn2cnc(C#N)n2)CCC1 593595313 NSYZGFAWEBOKFC-UHFFFAOYSA-N 313.383 -0.114 30 20 DBED CC(C)(CC#N)CNC(=O)C(=O)N1CCN([C@@H]2CCOC2)CC1 597340951 APCCZPMNQWDKOG-CYBMUJFWSA-N 322.409 -0.024 30 20 DBED CCC[C@@H](C#N)NC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C 608815711 DQJOOWIGJVEXTP-VIFPVBQESA-N 317.349 -0.002 30 20 DBED C=C(C)Cn1c(-c2cn[nH]c2)nnc1N1CCO[C@@H](C(N)=O)C1 624991050 IRPZXKJRYCRSSF-LLVKDONJSA-N 317.353 -0.065 30 20 DBED C=CCNC(=O)CNS(=O)(=O)C[C@@]1(OC(C)C)CCOC1 659939700 UFVLGQNRQYIGDC-CYBMUJFWSA-N 320.411 -0.208 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 685742515 GAXJXHZSCCODLA-ZBFHGGJFSA-N 311.426 -0.164 30 20 DBED CCOC(=O)C(=O)N1CCN(C(=O)c2ccc(C#N)cn2)CC1 736125067 BHZRVHVDXZYONA-UHFFFAOYSA-N 316.317 -0.199 30 20 DBED C#CCN1CCN(C(=O)CCC(=O)N2CCC(O)CC2)CC1 765490875 CSOQVMKMQBYNAN-UHFFFAOYSA-N 307.394 -0.473 30 20 DBED C#C[C@H](NC(=O)N1CC[C@H](S(=O)(=O)NC)C1)[C@H]1CCCO1 773561774 UHUQXEAHQGQDGE-SDDRHHMPSA-N 315.395 -0.500 30 20 DBED C#CCOCCNC(=O)[C@@H](C(C)C)N1CCCS1(=O)=O 784605801 BIHSTRBQHANLKA-GFCCVEGCSA-N 302.396 -0.188 30 20 DBED CC#CCS(=O)(=O)NC(=O)c1cn(Cc2ccccn2)nn1 788070830 LRIXNLSJMZQHRT-UHFFFAOYSA-N 319.346 -0.196 30 20 DBED C#CCN1CCN(C(=O)c2cc(S(N)(=O)=O)oc2C)CC1 798326900 WRCHNTLRURKGCP-UHFFFAOYSA-N 311.363 -0.374 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCn2nc(C)nc2C1)[C@H]1CCCO1 809308368 KRFAFGYTEGWRFM-NWDGAFQWSA-N 317.349 -0.774 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@H]1CCn2ccnc2C1)[C@H]1CCCO1 809310782 UQCAXPGYHQPBIY-RWMBFGLXSA-N 316.361 -0.389 30 20 DBED CCn1nc(C)c(C(=O)NS(=O)(=O)c2cncc(C#N)c2)n1 816094657 AQXJDLNTANVTSQ-UHFFFAOYSA-N 320.334 -0.008 30 20 DBED C[C@@](C#N)(CC(=O)O)C(=O)N1CCC(C(=O)NCCO)CC1 819812367 ZPQNHOPAQIITBU-AWEZNQCLSA-N 311.338 -0.662 30 20 DBED CN1CC[C@@H](C(=O)NCCNc2ncccc2C#N)S1(=O)=O 843773243 COPWJZCYAVTNHF-NSHDSACASA-N 323.378 -0.485 30 20 DBED CC/N=C(/NCC)NCCN1CCN(S(C)(=O)=O)CC1 848995797 SDAVSCUDXUVGJA-UHFFFAOYSA-N 305.448 -0.861 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N(C)C[C@@H]1COCCO1 852250079 XBULIBBMSZOMKP-LLVKDONJSA-N 306.384 -0.356 30 20 DBED Cn1c(NCCNc2ccc(C#N)cn2)cc(=O)n(C)c1=O 853150853 JKVNNNZKPSHRKU-UHFFFAOYSA-N 300.322 -0.125 30 20 DBED C#CCN1CCN(C(=O)c2ccc(NS(C)(=O)=O)nc2)CC1 859357393 OKBBBWNAXHQQRW-UHFFFAOYSA-N 322.390 -0.156 30 20 DBED C#CC1(O)CN(C(=O)NCc2ccc(S(C)(=O)=O)cc2)C1 891966139 XMXBIIUCOMZPFI-UHFFFAOYSA-N 308.359 -0.020 30 20 DBED CN(C(=O)Cn1cnc(C(N)=O)n1)[C@H]1CCCN(CC#N)CC1 948381196 HMORZDDSZFHUCF-NSHDSACASA-N 319.369 -0.787 30 20 DBED CC(C)(C)n1cc(C(=O)NC[C@H]2CN(CC#N)C[C@@H]2O)nn1 958126062 HCFGGDJRVQKFLW-JQWIXIFHSA-N 306.370 -0.421 30 20 DBED CN(C)Cc1cc(C(=O)NC[C@@H]2CN(CC#N)C[C@@H]2O)no1 958199475 IZKYGGNPSGEJHB-MFKMUULPSA-N 307.354 -0.718 30 20 DBED CC#CCN1C[C@@H](O)[C@H](CNC(=O)c2nc3ncccn3n2)C1 958506399 DMSOOSVZCUJQEM-VXGBXAGGSA-N 314.349 -0.830 30 20 DBED C#CCN1C[C@H]2C(NC(=O)c3cn(C[C@@H]4CCOC4)nn3)[C@@H]2C1 962176156 MRROKSJGSMYFBJ-YNEHKIRRSA-N 315.377 -0.392 30 20 DBED N#Cc1c[nH]c(C(=O)N2CCC[C@H]3CN(C(=O)C(N)=O)C[C@H]32)c1 963710015 DQMMAJBOBOWWQX-CMPLNLGQSA-N 315.333 -0.565 30 20 DBED C=C[C@](C)(CC)C(=O)N1C[C@H](O)[C@H](NC(=O)c2cnn(C)n2)C1 968884330 UIAZIFXYPJGHOY-TYNCELHUSA-N 321.381 -0.281 30 20 DBED C[C@@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)[C@@H]1COCCN1C)C2 969804715 GFJUIDPESDUEHA-XUXIUFHCSA-N 320.393 -0.322 30 20 DBED O=C(C#CC1CC1)N1C[C@H](O)[C@H](NC(=O)[C@@]2(F)CCOC2)C1 969948684 IZDOUQDXIAYRKP-TYNCELHUSA-N 310.325 -0.784 30 20 DBED C#CCCN1CC([C@@H](C)NC(=O)c2cn(C)c(=O)nc2O)C1 970866222 WKQOAIAHJAORIY-SNVBAGLBSA-N 304.350 -0.441 30 20 DBED C#CCN1C[C@H]2[C@H](CNC(=O)c3nc4nccc(C)n4n3)[C@H]2C1 979032004 XRKHGXDVEFDVBQ-XYYAHUGASA-N 310.361 -0.026 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2CCC[C@H](NC(=O)C(N)=O)C2)c1 983706498 YAWBHVJTOGMSAQ-OLZOCXBDSA-N 314.345 -0.295 30 20 DBED C=CCN1CCC[C@@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)[C@H]1C 993920896 VSHLKHIKMZNEDY-GHMZBOCLSA-N 322.365 -0.438 30 20 DBED CC(=O)N1CC(C(=O)NC[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2C)C1 993940769 RLEIZYZPODLBDT-NQBHXWOUSA-N 320.393 -0.165 30 20 DBED C=CCn1cc(C(=O)N2CCC[C@H](N[C@@H](CC)C(N)=O)C2)nn1 1000412789 STNBJOOZQDREDU-RYUDHWBXSA-N 320.397 -0.078 30 20 DBED Cc1nc(O)nc(O)c1CC(=O)N1CCC[C@H](NCC#N)C1 1000529879 VYQLOIPGDMIQAQ-JTQLQIEISA-N 305.338 -0.157 30 20 DBED C#Cc1ccc(C(=O)NCC2CN(C(=O)c3nc[nH]n3)C2)nc1 1003467719 KMPPSFONYCFPCX-UHFFFAOYSA-N 310.317 -0.317 30 20 DBED C#Cc1ccc(C(=O)NCC2CN(C(=O)c3cnn[nH]3)C2)nc1 1003470439 ULCLPZUZIIQCEX-UHFFFAOYSA-N 310.317 -0.317 30 20 DBED C[C@H](NC(=O)c1cc(=O)n(C)cn1)C1CN(C(=O)[C@H](C)C#N)C1 1006315418 ONBCZADVHGFTIE-ZJUUUORDSA-N 317.349 -0.483 30 20 DBED C[C@@H](C#N)C(=O)N1CC([C@@H](C)NC(=O)c2nnc(O)nc2O)C1 1006493639 MQBZYROZRFCXOV-NKWVEPMBSA-N 320.309 -0.981 30 20 DBED C[C@@H](NC(=O)[C@H]1CN(C)C(=O)N1)C1CN(C(=O)C#CC2CC2)C1 1006569901 MWYVPMBVQQBCPN-ZWNOBZJWSA-N 318.377 -0.614 30 20 DBED NC(=O)[C@@H]1C[C@@H]1C(=O)NCC1[C@H]2CN(C(=O)C#CC3CC3)C[C@H]12 1009521400 YTTLTNZLODJIQT-ZMJPVWNMSA-N 315.373 -0.658 30 20 DBED CS(=O)(=O)CC(=O)N1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 1010555920 DIKSUDAPOXGABD-UHFFFAOYSA-N 324.362 -0.785 30 20 DBED COC(=O)[C@H]1C[C@H]1C(=O)N1CCN(C(=O)C#CC2CC2)CC1 1010678834 WDOZRKWSXJZILY-OLZOCXBDSA-N 304.346 -0.120 30 20 DBED O=C1NCC[C@@H]1CC(=O)N1CCN(C(=O)C#CC2CC2)CC1 1011110211 PTNFXFQRMPVULT-CYBMUJFWSA-N 303.362 -0.403 30 20 DBED C[C@H]1[C@@H](NC(=O)c2cn(C)nn2)CCN1C(=O)C#CC1CC1 1011739398 POOTYSKLFGEOGQ-JQWIXIFHSA-N 301.350 -0.052 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CCCN(C(=O)C(N)=O)[C@H]2C)nc1 1015108217 XJIBWNGTFMMCTR-CMPLNLGQSA-N 314.345 -0.343 30 20 DBED C=CCCN1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@@H]1NC(=O)NC1=O 1017628260 IQDZCNOPVGHENX-TUAOUCFPSA-N 306.366 -0.164 30 20 DBED C[C@@H]1CC[C@H](NC(=O)Cn2ncnn2)CN1C(=O)C#CC1CC1 1018170645 BAMVUNYSIYIJIS-YPMHNXCESA-N 316.365 -0.418 30 20 DBED N#Cc1cc(C(=O)N2CC[C@H](NCc3nc(O)n[nH]3)C2)c[nH]1 1018738268 QLSYANHOYNIVIG-VIFPVBQESA-N 301.310 -0.286 30 20 DBED N#Cc1c[nH]c(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccon3)C2)c1 1023125312 WNTSCZFVDAZVBM-VXGBXAGGSA-N 315.289 -0.510 30 20 DBED CC#CCN1CCC[C@H](CNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 1023621007 DZSIZDLYKKAKGO-NEPJUHHUSA-N 306.366 -0.564 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCNC2=O)C1 1024073662 WGRAUXWOFGNPBY-IJLUTSLNSA-N 323.393 -0.587 30 20 DBED C=CCCn1cc(C(=O)NCC2CN([C@@H](C)C(N)=O)C2)nn1 1032041202 HTBQXAKEMRFHBL-JTQLQIEISA-N 306.370 -0.610 30 20 DBED C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCN(C)S1(=O)=O 1032677000 MNVJWJDHUBRDAW-RWMBFGLXSA-N 313.423 -0.119 30 20 DBED C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CN(C(C)=O)CCO1 1032760412 AVZKJTAGHCWHDA-KKUMJFAQSA-N 305.378 -0.458 30 20 DBED C[C@@H]1CN(C(=O)CCn2cnccc2=O)CC[C@H]1NCC#N 1036232013 GPLBFTBICGBZCI-CHWSQXEVSA-N 303.366 -0.016 30 20 DBED CC[C@@H]1CN(C(=O)c2nccnc2C(N)=O)CC[C@@H]1NCC#N 1037986056 NZHUNSJFQJNJMG-MNOVXSKESA-N 316.365 -0.071 30 20 DBED Cc1n[nH]cc1C(=O)N1CC[C@@](O)(CNC(=O)C#CC2CC2)C1 1039685056 JCTHDKVZEFEFLX-MRXNPFEDSA-N 316.361 -0.175 30 20 DBED Cn1ccc(C(=O)N2CC[C@@](O)(CNC(=O)C#CC3CC3)C2)n1 1039688737 OVEQTODKOBGCBK-MRXNPFEDSA-N 316.361 -0.473 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)CCCN(C)C)C1 1040720872 MMZSJDOFJYIVHD-WFASDCNBSA-N 310.398 -0.433 30 20 DBED Cc1ncc(C(=O)N2CC[C@](O)(CNC(=O)[C@@H](C)C#N)C2)n1C 1040768652 DPUCFRSFXXFQHL-BONVTDFDSA-N 319.365 -0.419 30 20 DBED Cc1cc[nH]c1C(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1O 1041006572 XSXIKEBZRUMMHP-VXGBXAGGSA-N 312.333 -0.036 30 20 DBED N#CCSCC(=O)NCC1(O)CN(C(=O)Cc2ccoc2)C1 1041569342 ULBAHIVKKUOTHR-UHFFFAOYSA-N 323.374 -0.232 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@@H]2OCC)C1 1041685522 IPUAXXOSFIEQRW-NEPJUHHUSA-N 312.366 -0.697 30 20 DBED C#CCN1CC[C@@]2(CCN(C(=O)CN3C(=O)CCC3=O)C2)C1 1041824926 ZIJKQDVPRPPCIY-MRXNPFEDSA-N 303.362 -0.307 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)c2c(C)cnn2C)C1 1041973223 UHQXHPGGFNPATJ-UHFFFAOYSA-N 306.366 -0.002 30 20 DBED C#CCN1CC[C@H]2CCN(C(=O)CC3CS(=O)(=O)C3)C[C@@H]21 1042122601 ONPSTEBXMWLKGS-KBPBESRZSA-N 310.419 -0.023 30 20 DBED N#CCN1CC[C@@H]2CCN(C(=O)CC3CS(=O)(=O)C3)C[C@H]21 1042124106 ZCRJTGYKRHIPBU-CHWSQXEVSA-N 311.407 -0.133 30 20 DBED CN(C(=O)c1ccc(C#N)[nH]1)C1CN(Cc2nc(O)n[nH]2)C1 1042628133 CIGWJSADPFVSLT-UHFFFAOYSA-N 301.310 -0.334 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)C[C@@](C)(O)C2CC2)C1 1042936550 LYFKMKKHJPWYKA-MRXNPFEDSA-N 322.405 -0.114 30 20 DBED C=C(C)CCC(=O)NCC1(O)CN(C(=O)[C@H]2CCNC2=O)C1 1043314907 KBXDQYDFHZNCMO-NSHDSACASA-N 309.366 -0.832 30 20 DBED C=CC(C)(C)CC(=O)N1CC(O)(CNC(=O)c2cnn[nH]2)C1 1043808900 XKSPEPCZCJGIHS-UHFFFAOYSA-N 307.354 -0.290 30 20 DBED COc1nc(C(=O)NCC2(O)CN(C(=O)C#CC(C)C)C2)co1 1044075777 AREKXBTZRFYBIQ-UHFFFAOYSA-N 321.333 -0.354 30 20 DBED N#Cc1nccc(N2C[C@H](O)[C@H](NC(=O)[C@@]34COC[C@@H]3C4)C2)n1 1044696955 KXSZMBXEGVOLPB-DDIVZENXSA-N 315.333 -0.950 30 20 DBED Cc1cnn(CCC(=O)N2CC(O)(CNC(=O)[C@H](C)C#N)C2)c1 1045559052 FQLCNUUREAEKSO-GFCCVEGCSA-N 319.365 -0.569 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)Cc2ncccc2F)C1 1045564157 CXNQTLAXMDJKEK-SNVBAGLBSA-N 320.324 -0.388 30 20 DBED Cn1nnc(C(=O)NC[C@@H]2CC3(CCN(CC#N)CC3)CO2)n1 1045676303 FCIPFBMRLBKISY-NSHDSACASA-N 319.369 -0.665 30 20 DBED C#CCN1CC[C@H](N2CCN(C(=O)[C@@]3(C)CNC(=O)C3)CC2)C1 1046047524 SIOGPJSQTPLVIO-WMLDXEAASA-N 318.421 -0.636 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)C2(N3CCOCC3)CCC2)C1 1047580365 GZULXJHKFBQQLM-GJZGRUSLSA-N 321.421 -0.622 30 20 DBED CN(C)c1ncccc1C(=O)N(C)[C@H]1CN(CC#N)C[C@@H]1O 1047625254 AEJYRAUSYBMKIZ-STQMWFEESA-N 303.366 -0.212 30 20 DBED COCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CSCC#N)C1 1048301416 AICTWBQYWNFRPC-QWRGUYRKSA-N 315.395 -0.690 30 20 DBED C=C[C@@](C)(O)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)OC)C1 1048413803 GHAFFEOAYKYXNK-OXJKWZBOSA-N 314.382 -0.622 30 20 DBED C#CCOCCC(=O)N(C)[C@H]1CN(C(=O)c2ccon2)C[C@@H]1O 1048845078 ZIVDUBQLXYXAHH-STQMWFEESA-N 321.333 -0.642 30 20 DBED C#CCN1C[C@H]2CN(C(=O)Cn3nc(C)ccc3=O)C[C@H]2C1 1049182274 IXOKDZUYOHBAKJ-OKILXGFUSA-N 300.362 -0.425 30 20 DBED Cc1c[nH]c(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)C#N)C2)n1 1049401513 HDMDMWARZRJZAO-LSJOCFKGSA-N 305.338 -0.479 30 20 DBED C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1ncn(C)c1=O 1049562767 XZMISYZAOVNCHE-QWHCGFSZSA-N 305.382 -0.167 30 20 DBED N#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C1CC(=O)NC(=O)C1 1049781378 DFHXFENEXNEOTP-NWDGAFQWSA-N 304.350 -0.372 30 20 DBED C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)CN1CC(=O)NC1=O 1049791472 VJHHIBBNSLBSJD-NWDGAFQWSA-N 306.366 -0.211 30 20 DBED CC(C)C#CC(=O)N1CC[C@@H]([C@@H](C)NC(=O)c2nnn(C)n2)C1 1050648061 ICLKTPVNVIKZED-VXGBXAGGSA-N 318.381 -0.164 30 20 DBED C#CCCN1CCOC[C@@H]1CNC(=O)[C@H]1C[C@@H](C)CC(=O)N1 1050921578 HFQGDWITKFGZGH-HZSPNIEDSA-N 307.394 -0.259 30 20 DBED CC#CCN1CCOC[C@H]1CNC(=O)[C@@H]1CCCN(C(N)=O)C1 1051011113 GYQKVDVYLGLQQG-ZIAGYGMSSA-N 322.409 -0.383 30 20 DBED C=CCN1CCOC[C@@H]1CNC(=O)c1ccc(=O)n(CC)n1 1051173418 SFFHIKCFZKFSFL-LBPRGKRZSA-N 306.366 -0.120 30 20 DBED Cn1ncc(C(=O)N2CC[C@H](N3CCN(CC#N)CC3)C2)c1N 1052017771 UNZLDUURLFUNNU-LBPRGKRZSA-N 317.397 -0.642 30 20 DBED C#CCN1CCN([C@@H]2CCN(C(=O)Cc3ccnn3C)C2)CC1 1052018449 KKUZUJNOUWMZSD-MRXNPFEDSA-N 315.421 -0.186 30 20 DBED N#CCN1CC2(C1)CN(C(=O)c1ccc(C(N)=O)cn1)CCO2 1053548962 NVLXDLXWDWCSMX-UHFFFAOYSA-N 315.333 -0.769 30 20 DBED CN(C)c1cnc(C(=O)N[C@H]2COC3(C2)CN(CC#N)C3)cn1 1053800973 ALHOSJDGJSDOSL-LLVKDONJSA-N 316.365 -0.361 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)C(C)(C)N3CCOCC3)CO2)C1 1053957233 XLIAINVSLVVGIB-CQSZACIVSA-N 321.421 -0.310 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)[C@@H]3CCCCN3C(N)=O)CO2)C1 1053980479 OYIFJFSNCFPZJI-NEPJUHHUSA-N 321.381 -0.597 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)C[C@@H]3CCCCC(=O)N3)CO2)C1 1053993023 FNQFFBGGBAWXEC-QWHCGFSZSA-N 320.393 -0.082 30 20 DBED C#CCOCCC(=O)N1C[C@H]2CN(C(=O)CNC(C)=O)C[C@H]2C1 1055136803 HYGDGGWFHDBBQM-OKILXGFUSA-N 321.377 -0.921 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@](CO)(NC(=O)c2cc[nH]n2)C1 1055787358 GYLSDKJBARCLJM-YGRLFVJLSA-N 305.338 -0.347 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@](CO)(NC(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1056061437 IFNDRVAWFKHREI-WKIHFJMMSA-N 321.377 -0.492 30 20 DBED CN1CC[C@H](C(=O)N[C@H]2CCN(c3ccnc(C#N)n3)C2)C1=O 1058514889 QURMJFRVSMCLTF-WDEREUQCSA-N 314.349 -0.479 30 20 DBED N#Cc1cnc(N[C@H]2C[C@@H](NC(=O)[C@H]3COC(=O)N3)C2)cn1 1059625405 WPVOHKDOBKDQSR-KHQFGBGNSA-N 302.294 -0.484 30 20 DBED N#CCSCC(=O)NC[C@@H]1COCCN1C(=O)c1cnco1 1061323561 RHIVCQGOQCASAN-SNVBAGLBSA-N 324.362 -0.111 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)Cc1ccon1 1061451710 KZPTZGYUYWPBAI-CMPLNLGQSA-N 306.322 -0.280 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)c1ccnn1C 1061846512 OOWWXNGHZYCQDL-MNOVXSKESA-N 305.338 -0.463 30 20 DBED N#Cc1cnc(N2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CCC(=O)N2)cn1 1062513835 IFENNTAYIMWONA-SRVKXCTJSA-N 312.333 -0.584 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CN(C(=O)Cc2cnn(C)c2)CCO1 1064949301 YQHWWNOBWNRZDH-AAEUAGOBSA-N 319.365 -0.534 30 20 DBED C=CCCC(=O)N1CCO[C@H](CNC(=O)C(C)(C)C(N)=O)C1 1064958987 DXRKQQJAXCXPQU-LLVKDONJSA-N 311.382 -0.192 30 20 DBED CCNC(=O)CCC(=O)N1CCO[C@@H](CNC(=O)[C@H](C)C#N)C1 1064967340 GAHKSEMGEXQTPE-NEPJUHHUSA-N 324.381 -0.594 30 20 DBED C=CCOCC(=O)N1CCO[C@H](CNC(=O)c2cnc(C)[nH]2)C1 1064976310 IDWPTCQNPUVLLC-GFCCVEGCSA-N 322.365 -0.122 30 20 DBED C=CCOCC(=O)N1CCO[C@H](CNC(=O)c2cnccn2)C1 1064976642 NDPIXMOSCZGOAE-GFCCVEGCSA-N 320.349 -0.364 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CN(C(=O)CCn2ccnn2)CCO1 1065086679 BFQDCHLWRNCSRM-VXGBXAGGSA-N 320.353 -0.829 30 20 DBED Cc1nonc1C(=O)N1CCO[C@H](CNC(=O)C#CC2CC2)C1 1065304820 BBYJXQDPKSZOGO-GFCCVEGCSA-N 318.333 -0.251 30 20 DBED N#Cc1nccc(N2C[C@H]3CN(C(=O)Cc4nc[nH]n4)C[C@H]3C2)n1 1066028334 IGIKUQXWCWNOLY-PHIMTYICSA-N 324.348 -0.396 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](CNC(=O)c3ccncn3)C2)nc1 1067677107 YSNMNRXSJQHAFJ-OCCSQVGLSA-N 324.344 -0.030 30 20 DBED C[C@@H](Nc1cncc(C#N)n1)[C@H]1CN(C(=O)CC(N)=O)CCO1 1068227340 JOWCEMJCLAGFNU-MWLCHTKSSA-N 318.337 -0.749 30 20 DBED CC(=O)NCC(=O)N[C@@H]1COC2(C1)CN(C(=O)C#CC1CC1)C2 1068666776 ZANVXQCRTIRMNL-ZDUSSCGKSA-N 319.361 -0.978 30 20 DBED O=C(C#CC1CC1)N[C@H]1COC2(C1)CN(C(=O)c1cn[nH]c1)C2 1068860427 KIBMSBGBFXPXNN-CYBMUJFWSA-N 314.345 -0.077 30 20 DBED N#Cc1cnc(N2CC[C@@]3(NC(=O)C(N)=O)CCC[C@H]23)cn1 1069282785 RJNJXJGKPURVDF-HZMBPMFUSA-N 300.322 -0.549 30 20 DBED CC#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2cnn(C)c2)C1 1069894999 VWRGERJAYNMVEL-KGLIPLIRSA-N 313.365 -0.310 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2ccn(C)n2)C[C@H]1c1cncn1C 1070718295 XIHMGDGLBDGWNW-TZMCWYRMSA-N 312.377 -0.015 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)c2cn(C)c(O)n2)CC1 1070994861 HCEXJOGHUUMXBT-UHFFFAOYSA-N 321.381 -0.424 30 20 DBED CO[C@@H](C(=O)N1CCC(=O)NCCN(CC#N)CC1)C(C)C 1070995962 BTYUPWOGDHEFBN-CQSZACIVSA-N 310.398 -0.169 30 20 DBED C[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@]2(CCN(CC#N)C2)O1 1071204438 OZSDQWLONNOUIJ-BXUZGUMPSA-N 306.366 -0.533 30 20 DBED C=CCCC(=O)N1C[C@H](C)[C@H](NC(=O)C2CS(=O)(=O)C2)C1 1071790151 DLWCZKWVHUQJQW-CMPLNLGQSA-N 314.407 -0.040 30 20 DBED C#CCCCCC(=O)N[C@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1C 1072542989 FMIBTGROUZAEJQ-NEPJUHHUSA-N 318.381 -0.020 30 20 DBED CNC(=O)NCC(=O)N1CCC(C)(NC(=O)C#CC2CC2)CC1 1073088676 SQWYMUQXRIOCGI-UHFFFAOYSA-N 320.393 -0.174 30 20 DBED C=CCN1CCC2(C1)CN(C(=O)c1cn(CC(N)=O)nn1)C2 1073457249 IMGWOHMSFGWMOY-UHFFFAOYSA-N 304.354 -0.903 30 20 DBED C=CCCC(=O)N1CC(N2CCN(C(=O)c3cnn[nH]3)CC2)C1 1073580152 PYSWLDBGIFCULE-UHFFFAOYSA-N 318.381 -0.261 30 20 DBED C#CCCN1CCCO[C@H](CNC(=O)[C@@H]2CCC(=O)N2C)C1 1073732739 WKJMBXWTKNPPOW-KGLIPLIRSA-N 307.394 -0.162 30 20 DBED N#CCN1CCO[C@H]2CCN(C(=O)CCn3cncn3)C[C@@H]21 1074170304 LXSRXBROVCHNHD-STQMWFEESA-N 304.354 -0.507 30 20 DBED COc1ccc(C(=O)N2CC[C@@H]3OCCN(CC#N)[C@@H]3C2)nn1 1074378669 ZPRDLTZJBDRKDB-OLZOCXBDSA-N 317.349 -0.076 30 20 DBED C=CCN1CCO[C@H]2CCN(C(=O)c3cn(C)c(=O)n3C)C[C@H]21 1074414521 BEAAFUMYMVGACU-OCCSQVGLSA-N 320.393 -0.175 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCN(C(=O)COC)[C@@H](C)C1 1074941439 KORIDLMPBYMOPB-NWDGAFQWSA-N 309.366 -0.732 30 20 DBED C#CCCN1C[C@@H]2CCN(C(=O)Cn3ncn(C)c3=O)[C@@H]2C1 1075968715 JQFUONPWTDHNRL-QWHCGFSZSA-N 303.366 -0.862 30 20 DBED N#CCN1C[C@@H]2CCN(C(=O)CCc3nnc(O)nc3O)[C@@H]2C1 1075983550 NGVDVWREMXCSDI-GXSJLCMTSA-N 318.337 -0.728 30 20 DBED C=CCN1CC[C@H](N2C[C@@H](O)[C@H](NC(=O)C3CCC3)C2)C1=O 1076665505 RGVFNOFEWBEHGU-HZSPNIEDSA-N 307.394 -0.265 30 20 DBED C=CCO[C@@H](C)C(=O)NCC[C@H](C)NC(=O)Cc1nc[nH]n1 1077067566 FMBNSHYAZFPUBA-QWRGUYRKSA-N 309.370 -0.051 30 20 DBED C=CCOCC(=O)N[C@@H](C)CCNC(=O)CCS(C)(=O)=O 1077263747 MXNPZJKRJBTAJM-NSHDSACASA-N 320.411 -0.365 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)c2ccn3nnnc3c2)C1 1077501636 GMIKAWMQZCEZLU-VXGBXAGGSA-N 302.338 -0.525 30 20 DBED Cn1cc2c(n1)CCC[C@@H]2C(=O)N[C@@H]1CN(CC#N)C[C@H]1O 1077576158 CIKZGQYGFIHTLA-ZLKJLUDKSA-N 303.366 -0.475 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)c2ccc(S(C)(=O)=O)o2)C1 1077767905 ZODCFYFSJJUTEW-NXEZZACHSA-N 314.363 -0.356 30 20 DBED Cn1cc(C(=O)N[C@H]2C[C@@H](NCC#N)C23CCC3)ncc1=O 1078685166 HUWUZVDZFHKMLY-NEPJUHHUSA-N 301.350 -0.066 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC[C@H](N(C)C(=O)C(N)=O)CC1 1079051988 INWHRDPQFWIHDY-NEPJUHHUSA-N 309.366 -0.651 30 20 DBED CC(C)[C@@H](O)C(=O)NC1(CO)CCN(C(=O)[C@@H](C)C#N)CC1 1080842200 ZETWKGYCIQFPIO-NWDGAFQWSA-N 311.382 -0.367 30 20 DBED O=C(C#CC1CC1)NC1(CO)CCN(C(=O)c2cnon2)CC1 1080854559 VGDIRIAWGAJTHY-UHFFFAOYSA-N 318.333 -0.434 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2cnn(C)c2)C[C@@H]1O 1081344507 QVKFAIFONVPDCC-YPMHNXCESA-N 322.365 -0.828 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)c2cocn2)C[C@@H]1O 1081464134 WCBLUMKZKLHWIZ-AAEUAGOBSA-N 305.334 -0.117 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)c2cncn2C)C[C@@H]1O 1081465977 NNAOJZKTVQLSJF-OCCSQVGLSA-N 318.377 -0.371 30 20 DBED C#CCOCCC(=O)NC[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 1081489129 QDAABIQCYDOSOO-GJZGRUSLSA-N 318.373 -0.625 30 20 DBED C=C(C)CCC(=O)N1C[C@@H](O)[C@H](CNC(=O)Cc2nc[nH]n2)C1 1081792098 YOGJJFLVLBNZRN-VXGBXAGGSA-N 321.381 -0.361 30 20 DBED C=CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CN(C)C(=O)N1 1083163268 WVTZWNRHRPDDRJ-FRRDWIJNSA-N 308.382 -0.502 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2cn(-c3ccccc3)nn2)C1 1083598739 KCPHDDFYBFPYDB-OCCSQVGLSA-N 312.333 -0.434 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)Cc2cc(=O)n(CC(C)C)[nH]2)C1 1083612352 OQGLESFGDMNULP-KGLIPLIRSA-N 322.409 -0.278 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCCCN2C(N)=O)C1 1083939632 NTVGWBMUPRZWFR-UPJWGTAASA-N 308.382 -0.896 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)C2CCN(C(C)=O)CC2)C1 1084041705 HAPMQNYCNQYSFC-CABCVRRESA-N 307.394 -0.571 30 20 DBED C#CCCN1CC[C@H](NC(=O)Cc2cc(C)nn2C)[C@H](O)C1 1090427433 KMNJFDWXEAUHGI-LSDHHAIUSA-N 304.394 -0.154 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2coc(C(N)=O)c2)[C@@H](O)C1 1090449173 NUFBLGGFULLIAG-RYUDHWBXSA-N 305.334 -0.433 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2ccc(OC)nn2)[C@H](O)C1 1090703704 IQSKHTIWKXUIQM-WCQYABFASA-N 304.350 -0.327 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2nccn3cc(C)nc23)[C@@H](O)C1 1090708796 YIQVOMCVGMBPMB-OLZOCXBDSA-N 313.361 -0.164 30 20 DBED N#CCN1CC[C@H](NC(=O)CN2CCCCCC2=O)[C@@H](O)C1 1090791767 VUJHRTUPKPZHLZ-STQMWFEESA-N 308.382 -0.536 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(c2ncncc2Cl)C[C@@H]1O 1091081668 FMJKVWDSEPNUOR-MNOVXSKESA-N 312.757 -0.002 30 20 DBED CCC[C@H](OC)C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@@H]1O 1091165984 JLJDAEOGZLYPSQ-AGIUHOORSA-N 319.365 -0.171 30 20 DBED N#CCNC1CC(CNC(=O)c2cn(C[C@H]3CCOC3)nn2)C1 1091303257 ZVEWFGRNNNYJPK-PNESKVBLSA-N 318.381 -0.064 30 20 DBED N#Cc1cnc(NCCNC(=O)Cn2cnnc2O)c(F)c1 1093558833 ODTYUVIIHGPNNJ-UHFFFAOYSA-N 305.273 -0.382 30 20 DBED CC[C@H](C)[C@H](NC(C)=O)C(=O)NCCN=c1cc[nH]c(C#N)n1 1093662279 XQBXMIKRCXVNMI-HZMBPMFUSA-N 318.381 -0.151 30 20 DBED N#Cc1c[nH]ccc1=NCCNC(=O)[C@H]1CCS(=O)(=O)C1 1093979012 UVVKASREPMSRFK-JTQLQIEISA-N 308.363 -0.662 30 20 DBED O=C(C#CC1CC1)N1CCN(CCF)[C@H]2CS(=O)(=O)C[C@H]21 1094630830 FSEITBASFGNXEK-QWHCGFSZSA-N 314.382 -0.321 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CC(=O)N(C3CN(CC#N)C3)C2)nc1 1094806757 YYTDMXFGOLWYHI-CYBMUJFWSA-N 323.356 -0.399 30 20 DBED CN(C)C(=O)CC(=O)N1CC[C@H](N(C)c2ccc(C#N)nn2)C1 1095155244 AESDBNVNVLLFQP-LBPRGKRZSA-N 316.365 -0.136 30 20 DBED CN(CCCNC(=O)[C@@H]1COCCN1C)c1nccnc1C#N 1095522086 DOZULSQLCHBSDY-ZDUSSCGKSA-N 318.381 -0.379 30 20 DBED COCCC(=O)NCCN1CCN(c2cnc(C#N)cn2)CC1 1096259746 HYEMJYINBUYCJD-UHFFFAOYSA-N 318.381 -0.377 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CCNC(=O)C1)Nc1nccnc1C#N 1097774470 RHARKAARNYZJCH-VHSXEESVSA-N 302.338 -0.209 30 20 DBED C[C@@H](C(=O)NCC[C@@H](C)N=c1cc[nH]c(C#N)n1)n1cncn1 1099021270 NJZXXODNOXMLLU-MNOVXSKESA-N 314.353 -0.070 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)Cn2nccc2C)[C@H](O)C1 1100022079 GWVAHLMBJDHUOK-HUUCEWRRSA-N 322.409 -0.054 30 20 DBED C[C@H](C(=O)NCCN(C)c1cnc(C#N)cn1)n1cncn1 1100028465 UWPGWWOKHOEJHF-SNVBAGLBSA-N 300.326 -0.247 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)COCc2ncnn2C)[C@H](O)C1 1100058556 VZFUYVSZNCDJFW-QWHCGFSZSA-N 323.397 -0.541 30 20 DBED CN(CCNC(=O)c1ccc2nnnn2c1)c1cnc(C#N)cn1 1100230084 RLNNLJXPBNTITB-UHFFFAOYSA-N 323.320 -0.348 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)[C@@]23COC[C@@H]2C3)C1 1100346023 MNHBBYNJQVPOOI-UWTNAYQSSA-N 305.378 -0.743 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)C2(COC)CC2)C1 1100507110 WDTFVCPKVDQDOW-UHFFFAOYSA-N 307.394 -0.353 30 20 DBED CCN(CCNC(=O)[C@H]1CC(=O)N(C)C1)c1ccnc(C#N)n1 1100748896 DEVFCZIOSKDSCJ-NSHDSACASA-N 316.365 -0.231 30 20 DBED Cn1cnc(C(=O)NCCN(c2ccnc(C#N)n2)C2CC2)n1 1101335896 FGJRKPZQWWWKBH-UHFFFAOYSA-N 312.337 -0.124 30 20 DBED C[C@@H](CC(N)=O)C(=O)NCCN(c1ccc(C#N)nn1)C1CC1 1101431052 XUMNJLIORJNJFA-JTQLQIEISA-N 316.365 -0.055 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)[C@@H]1CCC(=O)N1C 1101895412 OJJNJOVNDDCVGZ-JTQLQIEISA-N 302.338 -0.739 30 20 DBED CC#CCN1C[C@@H](C)[C@H](CNC(=O)Cn2cnc(C(N)=O)n2)C1 1101983384 BNUPOIHMSDKXGQ-VXGBXAGGSA-N 318.381 -0.916 30 20 DBED CCNC(=O)CC(=O)NC[C@H](CC)N=c1cc[nH]c(C#N)n1 1103066400 XFRYZUBMBMPRJQ-JTQLQIEISA-N 304.354 -0.397 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCNC1=O)CNc1ccc(C#N)nn1 1104157290 JEZFVRPGUNDEKY-KOLCDFICSA-N 302.338 -0.351 30 20 DBED C#CCNCc1cn(C2CN(C(=O)[C@H]3CO[C@@H](C)C3)C2)nn1 1105271110 WSVARUGFQRDTEF-NWDGAFQWSA-N 303.366 -0.191 30 20 DBED CN(CCN(C)c1nccnc1C#N)C(=O)[C@H]1CCC(=O)N1 1105352501 RIHNXSURCZHUEI-SNVBAGLBSA-N 302.338 -0.479 30 20 DBED CN(CCN(C)c1ccc(C#N)cn1)C(=O)[C@@H]1CNC(=O)N1 1105542171 GPLBEZFYQWUFEA-NSHDSACASA-N 302.338 -0.471 30 20 DBED Cn1cc(C(=O)NC[C@@H](O)CNc2ccc(C#N)cn2)cn1 1105715747 ASHWAZXNXGHKBR-LBPRGKRZSA-N 300.322 -0.110 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)[C@H](C)NC(C)=O)C[C@H]1C 1105793613 LNYRUXXQMOVWDX-VNHYZAJKSA-N 309.410 -0.155 30 20 DBED CC(C)[C@@H](C(=O)NC[C@H](O)CNc1ccc(C#N)nn1)N(C)C 1105917590 KUPAQLBIVRIQJH-OCCSQVGLSA-N 320.397 -0.177 30 20 DBED CCc1nc(C#N)cc(NC[C@H](O)CNC(=O)c2nc[nH]n2)n1 1105932351 HLIGDGHJOGFIQS-VIFPVBQESA-N 316.325 -0.768 30 20 DBED Cn1c(C(=O)NC[C@H](O)CNc2ncccc2C#N)cnc1O 1106051841 NIPZKHVCWUYUOA-SNVBAGLBSA-N 316.321 -0.405 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H](O)CNC(=O)[C@@]1(F)CCOC1 1106073362 SVLUHVWUXWNZGL-BXUZGUMPSA-N 308.313 -0.607 30 20 DBED C[C@H](CCNc1nccnc1C#N)NC(=O)[C@H]1CN(C)C(=O)N1 1106519397 KSHCHBLGFRDLGW-MWLCHTKSSA-N 317.353 -0.321 30 20 DBED C[C@H](CCNc1cncc(C#N)n1)NC(=O)[C@H]1C[C@H]1C(N)=O 1106569569 KKRQWXMUFFBXDM-IEBDPFPHSA-N 302.338 -0.224 30 20 DBED CCN(CCNc1ccc(C#N)nn1)C(=O)[C@H]1COC(=O)N1 1106754680 RRHKDIDQFJXSRQ-SNVBAGLBSA-N 304.310 -0.283 30 20 DBED C#CCNC[C@@H]1CN(C(=O)[C@@H](C)CS(C)(=O)=O)C[C@H]1C 1107048184 GGYRHQNERZRSRG-FRRDWIJNSA-N 300.424 -0.016 30 20 DBED C=CCOCC(=O)NC/C=C\CNc1nccn2nnnc12 1107074217 DJWQRLINXJDEKY-ARJAWSKDSA-N 303.326 -0.194 30 20 DBED C=C[C@](C)(O)CC(=O)NCc1cn(C2CN(CCOC)C2)nn1 1107164135 RNWPWIYXWCRUPF-HNNXBMFYSA-N 323.397 -0.276 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)c2coc(C(N)=O)c2)C1 1108095652 ASDSNKYPLZBPCD-HNNXBMFYSA-N 305.334 -0.168 30 20 DBED CC#CCN1CCO[C@@](C)(CNC(=O)c2cnc(O)n2C)C1 1108119100 IENKNFVHMUEDMI-HNNXBMFYSA-N 306.366 -0.030 30 20 DBED COc1cc(C(=O)N[C@@H](C)CN=c2cc[nH]c(C#N)n2)on1 1108315288 IHGDLBSOWFSACY-QMMMGPOBSA-N 302.294 -0.003 30 20 DBED C=CCC[C@H](C)N1CC(N2C[C@H](NC(=O)CC(N)=O)CC2=O)C1 1108524794 CKFJSXKBYALYQM-NWDGAFQWSA-N 322.409 -0.382 30 20 DBED C=C(C)CCN1CC(N2C[C@H](NC(=O)CC(=O)NC)CC2=O)C1 1108538050 ZTAZRUAGOGTYOU-GFCCVEGCSA-N 322.409 -0.510 30 20 DBED CC(C)N(C)CC(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1 1108592326 SLZFRWBGZBRWMR-GFCCVEGCSA-N 307.398 -0.749 30 20 DBED CN(CCCN=c1cc[nH]cc1C#N)C(=O)[C@H]1CNC(=O)N1 1109599112 YJABLMFKHPJLLZ-GFCCVEGCSA-N 302.338 -0.683 30 20 DBED COCCOCC(=O)N[C@@H]1[C@H]2C[C@H]1N(c1cncc(C#N)n1)C2 1109694592 BYBWXTBPVYSEAB-JVLSTEMRSA-N 317.349 -0.295 30 20 DBED N#Cc1nccnc1NC1(CNC(=O)[C@H]2CCCNC2=O)CC1 1110257484 WCKHRCHMBYIORC-JTQLQIEISA-N 314.349 -0.065 30 20 DBED C[C@@H]1C[C@H](Nc2cncc(C#N)n2)CCN1C(=O)CNC(N)=O 1110507709 PRUMZKHQZGBMHK-NXEZZACHSA-N 317.353 -0.192 30 20 DBED C[C@@]1(NC(=O)Cn2cnnn2)CCN(c2cnc(C#N)cn2)C1 1110710928 PBPJEJQKJPEJRA-CYBMUJFWSA-N 313.325 -0.880 30 20 DBED CCO[C@@H](C)C(=O)NC[C@@]1(O)CCN(c2cncc(C#N)n2)C1 1111029972 VJIDNQMCJTYQBN-NHYWBVRUSA-N 319.365 -0.169 30 20 DBED C[C@H](C#N)C(=O)NC[C@]1(O)CCN(c2ncnc3[nH]cnc23)C1 1111042244 RFEBXHNDNQCAOL-YMTOWFKASA-N 315.337 -0.430 30 20 DBED CNC(=O)CC(=O)N(C)[C@H]1CN(c2ccc(C#N)cn2)C[C@@H]1O 1111180043 JUFLIDFIGBRRHR-RYUDHWBXSA-N 317.349 -0.903 30 20 DBED C[C@H]1CN(C(=O)CNC(N)=O)C[C@H]1CN=c1cc[nH]cc1C#N 1111241057 OANUJBMJSKFVDL-CMPLNLGQSA-N 316.365 -0.450 30 20 DBED N#Cc1cccnc1NCCN(CCO)C(=O)[C@H]1CCNC1=O 1111535339 PQXODWURPZYATF-LBPRGKRZSA-N 317.349 -0.678 30 20 DBED C#CCOCCC(=O)NC[C@@H]1COCCN1c1cnc(F)cn1 1111700005 HIHMFKRKKRFHJV-GFCCVEGCSA-N 322.340 -0.023 30 20 DBED Cn1nnc(C(=O)NCC2(Nc3cncc(C#N)n3)CCC2)n1 1111887054 DLJNPKSVXSVCOZ-UHFFFAOYSA-N 313.325 -0.364 30 20 DBED CC(C)(O)CC(=O)NC[C@H]1CN(c2cncc(C#N)n2)C[C@H]1O 1112717593 LVUMFDRAKOWFCB-CMPLNLGQSA-N 319.365 -0.577 30 20 DBED C=CCCC(=O)NC1[C@H]2CN(CCCN3C(=O)CNC3=O)C[C@H]12 1114024521 BBAUTBMBFAVKEO-RYUDHWBXSA-N 320.393 -0.059 30 20 DBED N#CCNC(=O)CN1C[C@H]2C(NC(=O)c3ccnc(O)c3)[C@@H]2C1 1114138959 JQSFVQTWEWOEPK-GHMZBOCLSA-N 315.333 -0.913 30 20 DBED C=CCOCCN1C[C@@H]2C(NC(=O)Cn3cnnc3O)[C@H]2C1 1114155027 FHVFNKATDCBVCB-QWRGUYRKSA-N 307.354 -0.767 30 20 DBED C#CCCCCC(=O)NC1[C@@H]2CN(CC(=O)NC(N)=O)C[C@@H]12 1114159216 BMCIXXBYMSGYCH-GHMZBOCLSA-N 306.366 -0.579 30 20 DBED C#CCCCCCC(=O)NC1[C@H]2CN(CC(=O)NC(N)=O)C[C@H]12 1114689235 GIVXCHOZNCZUTO-RYUDHWBXSA-N 320.393 -0.189 30 20 DBED CS(=O)(=O)CC(=O)N[C@H]1C[C@H](CNc2cncc(C#N)n2)C1 1114740149 DVFZRHUOIWSSOA-MGCOHNPYSA-N 323.378 -0.300 30 20 DBED C=CCN1C[C@H]2[C@H](NC(=O)[C@H](Cc3cnc[nH]3)NC(C)=O)[C@H]2C1 1114769576 GAXZVSQPQSUTAQ-LJISPDSOSA-N 317.393 -0.311 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)[C@H]3CCCN3C(C)=O)[C@@H]2C1 1115317145 BEBISXGKBGCPBD-RBSFLKMASA-N 319.405 -0.307 30 20 DBED CC(C)CCNC(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1116958595 RBESHYAQZZDSBU-SEYXRHQNSA-N 322.365 -0.209 30 20 DBED COCCO[C@H]1C[C@@H](CO)CN(C(=O)NCC#CCO)C1 1119617772 UOGSEZVSEJDPER-OLZOCXBDSA-N 300.355 -0.963 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)Cc2cncnc2)nc1 1121411754 HIPXFDGMHTVIMQ-CYBMUJFWSA-N 312.333 -0.125 30 20 DBED CN1CC[C@@H](C(=O)NC[C@@H](CO)Nc2ncccc2C#N)C1 1121590115 IKEYRORJYDBORT-OLZOCXBDSA-N 303.366 -0.206 30 20 DBED CCOCCOCC(=O)NC[C@H](CO)Nc1ccc(C#N)nn1 1121675394 CZQNMNGQLRCJEJ-GFCCVEGCSA-N 323.353 -0.710 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H](CO)CNC(=O)CCCCC(N)=O 1122045140 PBGRZMGFWOJICQ-GFCCVEGCSA-N 319.365 -0.690 30 20 DBED CC(C)(C)[C@H](CNc1ccc(C#N)nn1)NC(=O)CNC(N)=O 1125763133 MPKHFDIXGXMLNJ-JTQLQIEISA-N 319.369 -0.041 30 20 DBED N#CCNCc1nnc2n1CC[C@@H](NC(=O)c1cn[nH]c1)CC2 1127937984 DLSPLKAEURSRFF-NSHDSACASA-N 314.353 -0.251 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1 1128998723 CYWKOLFNIYFOMG-OLZOCXBDSA-N 302.338 -0.817 30 20 DBED COCCO[C@H](C)C(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1 1129300506 ANZKRHZZJVWKGT-UPJWGTAASA-N 322.369 -0.805 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)c1cn(C)c(C)cc1=O 1129987929 RNKAEZADBOAKJN-GFCCVEGCSA-N 320.393 -0.296 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)c1cc(=O)c(OC)co1 1131360914 VCVBCFMMOZFWDB-SNVBAGLBSA-N 323.349 -0.342 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)C[C@@H](C)n1ccc(C)n1 1132308246 AANXOLDHXZAJES-KGLIPLIRSA-N 319.409 -0.014 30 20 DBED C=CC(C)(C)C(=O)NCCNCC(=O)N[C@@H](C)C(=O)N(C)C 1132398945 VNNMJWTYHXVJSW-NSHDSACASA-N 312.414 -0.503 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)c2cnn[nH]2)CC[C@@H]1C 1132942083 WHIWEPLUMXYEGG-NWDGAFQWSA-N 318.381 -0.758 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)[C@]1(C)CCNC1=O 1133766688 KZCYZWYZXYCGFC-MRXNPFEDSA-N 322.409 -0.581 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@@H](C)c1c(C)n[nH]c1C 1135432670 NTCVZXOFMCKJDP-GWCFXTLKSA-N 319.409 -0.026 30 20 DBED C[C@@H](C[C@@H](C)NCC#N)NC(=O)Cn1[nH]cc2c(=O)ncnc1-2 1135695541 QLQZGJYILWBAOT-ZJUUUORDSA-N 317.353 -0.532 30 20 DBED CC1CC(C(=O)NC[C@H]2CN(CC(=O)NCC#N)CCCO2)C1 1149496765 LOZDAMMMPPGOHX-RUXDESIVSA-N 322.409 -0.121 30 20 DBED C=C[C@@H](C(=O)NCCNCC(=O)NC(N)=O)c1ccccc1 1151990483 HVSUAQMGMJGWIH-GFCCVEGCSA-N 304.350 -0.143 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)c2cn(C)nn2)C1=O 1157454379 NBPHISRLOZMLGB-LLVKDONJSA-N 306.370 -0.689 30 20 DBED C#CCO[C@@H](C)C(=O)NCCCNCCOCCNC(C)=O 1157874518 RCYCFAYPTSCTLO-ZDUSSCGKSA-N 313.398 -0.727 30 20 DBED N#CCNC(=O)CNCCCNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 1162809220 PVBUKDRBMPARSE-SGMGOOAPSA-N 308.382 -0.463 30 20 DBED CCOC1CC2(C1)C[C@H]2C(=O)NCCCNCC(=O)NCC#N 1166585150 AIYFEWWZTAPQNY-UYJPIKCFSA-N 322.409 -0.073 30 20 DBED C=CCCCNCCCNC(=O)CN1C(=O)C(=O)N(C)C1=O 1167567526 CZYURRJOBCVGTB-UHFFFAOYSA-N 310.354 -0.531 30 20 DBED C=CCCOCC(=O)NCCCNCC(=O)NC(=O)NCC 1177264557 OJSRUIZRCKSKKN-UHFFFAOYSA-N 314.386 -0.479 30 20 DBED N#CCSCC(=O)N1C[C@H]2CC[C@H]1[C@H](CNCC(N)=O)C2 1177640099 VDEUKDOABFLAEL-SRVKXCTJSA-N 310.423 -0.055 30 20 DBED C[C@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)c1ccc(C#N)[nH]1 1178480976 GUMGDMTYDOPMDG-JQWIXIFHSA-N 314.349 -0.281 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)CCn2ccnn2)[C@H]1C 1178559813 JQZJHCMOTCAUFX-STQMWFEESA-N 320.397 -0.451 30 20 DBED N#CCNC(=O)CN[C@@H]1CCN(C(=O)c2cnc(C3CC3)o2)C1 1183344965 KIRSEGFNLLTGOI-LLVKDONJSA-N 317.349 -0.004 30 20 DBED Cc1cc(CC(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)n(C)n1 1184220545 NLFGBFOSJSYWKI-GFCCVEGCSA-N 318.381 -0.899 30 20 DBED N#CCNC(=O)CN[C@@H]1CCN(C(=O)Cc2cscn2)C1 1186129872 SFYUMKQOBKFIGF-SNVBAGLBSA-N 307.379 -0.484 30 20 DBED C=CCCOCC(=O)N1CC[C@@H](N[C@H]2CCC(=O)NC2=O)C1 1188294161 FPDALIHTEKGBLE-NEPJUHHUSA-N 309.366 -0.425 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CN(CC(=O)NC2CCCC2)C[C@H]1O 1192771025 YPAOGRCEJMBKIZ-HUUCEWRRSA-N 319.405 -0.380 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)c2cnn3c2CCC3)C1 1193577250 MIIXHDGOUBCOKX-UKRRQHHQSA-N 320.393 -0.193 30 20 DBED C#CCCN(C)[C@@H]1CCN(C(=O)Cn2nc(C)n(C)c2=O)C1 1193788231 YKTOPDGBCKLNJZ-CYBMUJFWSA-N 305.382 -0.554 30 20 DBED N#CCN1CCCN(C(=O)CCNC(=O)c2cnccn2)CC1 1198136371 PQONUSSUZQYYRM-UHFFFAOYSA-N 316.365 -0.346 30 20 DBED C=CCNC(=O)[C@H](C)NC1CCN(C(=O)CC(=O)NC)CC1 1200247105 KZBFNNVLZRZQFK-NSHDSACASA-N 310.398 -0.606 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)[C@H]2COCCN2CC)CCCO1 1200858351 FJBDJUDZFWDCCO-HZPDHXFCSA-N 323.437 -0.063 30 20 DBED CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1CN(CC#N)C[C@H]1C 1207037737 UZLNUKJRUOXRCB-OUAUKWLOSA-N 302.400 -0.726 30 20 DBED Cn1cccc1C(=O)N1CCC[C@@H](NCC(=O)NCC#N)C1 1207329907 UZRUZEVLOZDHRB-GFCCVEGCSA-N 303.366 -0.141 30 20 DBED COCC(C)(C)C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1207987979 CWMIVLRAGPDIFT-VXGBXAGGSA-N 310.398 -0.265 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)CN(CC)CC)[C@H](C)C1 1209635289 PSMMCLRTVMPWKM-ZIAGYGMSSA-N 308.426 -0.486 30 20 DBED C#CCCN[C@H]1CCCN(C(=O)c2nccnc2C(N)=O)C1 1210995350 RVEXTGWVYNBJOC-NSHDSACASA-N 301.350 -0.207 30 20 DBED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)c1cc[nH]c1 1212311068 GJLWZYNTGLEBMD-VXGBXAGGSA-N 305.338 -0.917 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)c2cn(C)c(O)n2)C[C@H]1C 1215463212 MJOWBAOIDMKPTP-VXGBXAGGSA-N 306.366 -0.174 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)c2c[nH]c(C(N)=O)c2)C[C@H]1C 1216759291 BFMDRCGDWICTDR-BXUZGUMPSA-N 318.377 -0.187 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)CCCOC2CCOCC2)C1 1220731896 FDGKWIWDGGKIQO-CABCVRRESA-N 310.394 -0.243 30 20 DBED COCC#CCN1CC[C@@H]2CN(C(=O)c3nnn(C)n3)[C@@H]2C1 1221740930 MXEMDTKSMPKAAQ-VXGBXAGGSA-N 304.354 -0.994 30 20 DBED C[C@@H](C#N)C(=O)NCC1CCN([C@H]2CCC(=O)NC2=O)CC1 1222641087 HBOJJYUFHUWVAP-JQWIXIFHSA-N 306.366 -0.221 30 20 DBED CC(C)N(C)CC(=O)NCC1CCN(CC(=O)NCC#N)CC1 1225578194 RLHLMWNOZDPNDG-UHFFFAOYSA-N 323.441 -0.205 30 20 DBED N#CCSCC(=O)NC1CCN([C@@H]2CCC(=O)NC2=O)CC1 1226152604 LRRBYZZLXGRECU-LLVKDONJSA-N 324.406 -0.371 30 20 DBED Cc1cc(C(=O)NC2CCN(CC(=O)NCC#N)CC2)ncn1 1226890642 CRLYQDFMHDVQSP-UHFFFAOYSA-N 316.365 -0.381 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)[C@@H](C1CC1)N(C)C 1235333271 CARVEVNSLLETPJ-GDBMZVCRSA-N 320.437 -0.391 30 20 DBED CN(CC(N)=O)C(=O)C(=O)Nc1ccc(F)cc1OCC#N 1252975446 XJSWEFOEXSEOHK-UHFFFAOYSA-N 308.269 -0.390 30 20 DBED Cc1cnn(CC2CC2)c1NC(=O)C(=O)NCC(=O)NCC#N 1261093889 WDJKYFRUHJIWNI-UHFFFAOYSA-N 318.337 -0.704 30 20 DBED CS(=O)(=O)N1CCC[C@@H]1CNC(=O)[C@@H](N)CCCC#N 1261430761 ZRIPOJXQQIZFRD-MNOVXSKESA-N 302.400 -0.452 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)C(=O)N2CC([C@@H]3CCOC3)C2)C1 1261486704 DDAGXTYHFGBRCT-IAQYHMDHSA-N 307.350 -0.642 30 20 DBED CC(=O)N[C@H](C(=O)NCCN/C(O)=C1\N=CC=CC1=O)C(C)C 1318397893 LQSAEWCNRDGZDG-PRSJPOKTSA-N 322.365 -0.210 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N[C@@H]1CCc2nc(C)nn2C1 1322413035 CNNZFZRFDLGEGI-GHMZBOCLSA-N 307.354 -0.665 30 20 DBED C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cnnn1C 1322460560 NMYLVAWCOWIHLH-SECBINFHSA-N 320.396 -0.821 30 20 DBED COCCOCCN(C)C(=O)C(=O)Nc1cnn(CC#N)c1 1323756925 KTFASPUQNSPDPU-UHFFFAOYSA-N 309.326 -0.533 30 20 DBED N#Cc1ncn(CCNC(=O)CC(=O)NCC(F)(F)F)n1 1324350196 KRHFYFMRCWJNAN-UHFFFAOYSA-N 304.232 -0.665 30 20 DBED C=CCn1cc(C(=O)OCC(=O)[C@H]2CCS(=O)(=O)C2)nn1 1326051504 BLYIHKROEXKUAQ-VIFPVBQESA-N 313.335 -0.375 30 20 DBED C[C@H](CNC(=O)C(=O)N1CC[C@](O)(CC#N)C1)Cn1cccn1 1326069138 HXCWNQFUBFCRLB-IUODEOHRSA-N 319.365 -0.488 30 20 DBED C[C@@]1(O)CCCN(C(=O)C(=O)NC2CCN(CC#N)CC2)C1 1326507207 XAIISMSVPRQIQZ-OAHLLOKOSA-N 308.382 -0.536 30 20 DBED CN1C(=O)CC[C@@H](NC(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)C1=O 1326731153 IGGOFVMMRBXDFL-IVZWLZJFSA-N 306.322 -0.942 30 20 DBED N#CCCn1ccc(NC(=O)C(=O)N2CCn3cncc3C2)n1 1327555662 KMLIWYQVAWWROP-UHFFFAOYSA-N 313.321 -0.026 30 20 DBED CCN(CCO)CCNC(=O)C(=O)Nc1cccc(C#N)n1 1329301423 YMFOSKMVIDBMDH-UHFFFAOYSA-N 305.338 -0.678 30 20 DBED N#Cc1ccc(CNC(=O)C(=O)N2C[C@@H]3C[C@H]2CN3)cc1F 1332234544 YCGYNHDYJDWVRP-RYUDHWBXSA-N 302.309 -0.114 30 20 DBED C=CCN(CCOC)c1nnnn1CC(=O)NCC(F)(F)F 1334576176 OGBLQCXFYSECJL-UHFFFAOYSA-N 322.291 -0.010 30 20 DBED C=CCC1(O)CCN(C(=O)C(=O)N2CC[C@@H](NC(C)=O)C2)CC1 1336488580 WXRNYGWSGBARGC-CYBMUJFWSA-N 323.393 -0.347 30 20 DBED C#CCNCC(=O)NCC(=O)N1CCN(c2ccccc2)CC1 1340061033 GJYKMKPDFMTSBR-UHFFFAOYSA-N 314.389 -0.326 30 20 DBED CCCNC(=O)C1CCN(C(=O)NCC(=O)NCC#N)CC1 1342599407 FIZQFHVWVUWCTH-UHFFFAOYSA-N 309.370 -0.426 30 20 DBED COCc1nc2n(n1)C[C@@H](NC(=O)C(=O)NCCCC#N)CC2 1343112353 CTFHCPFHQVBPJX-JTQLQIEISA-N 320.353 -0.725 30 20 DBED N#CCNC(=O)CNS(=O)(=O)c1cnn(CC(F)F)c1 1345399140 ALDXXVLGKFBCNQ-UHFFFAOYSA-N 307.282 -0.934 30 20 DBED CC(=O)NCCN(C)C(=O)C(=O)NCC#Cc1ccccc1 1345825420 GYLIXIGVJVHMMW-UHFFFAOYSA-N 301.346 -0.251 30 20 DBED Cn1cc(C(=O)N2CC[C@](O)(CC#N)C2)c(=O)c2cnn(C)c21 1362831115 QKDUDZVCUYTNOQ-OAHLLOKOSA-N 315.333 -0.237 30 20 DBED N#Cc1ccc(C(=O)N2CCS(=O)(=O)[C@@H]3COCC[C@@H]32)[nH]1 1363412445 FYGKVXAOOWYMJW-NWDGAFQWSA-N 309.347 -0.086 30 20 DBED CC(C)NS(=O)(=O)CCNS(=O)(=O)CC(C)(C)C#N 1364765485 CHLVLDHUVFJPHK-UHFFFAOYSA-N 311.429 -0.217 30 20 DBED C=C(Cl)CN[C@@H](C)CNC(=O)CN1CCN(C)C(=O)C1 1366300979 CTTMIVGTKUWRBT-NSHDSACASA-N 302.806 -0.393 30 20 DBED COc1coc(C(=O)N(C)CCNC(=O)[C@@H](C)C#N)cc1=O 1398018379 XUILCSGXSMPAKI-VIFPVBQESA-N 307.306 -0.004 30 20 DBED CCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1COCCO1 1411756310 OLCGGYVTQUKHIW-RYUDHWBXSA-N 307.354 -0.015 30 20 DBED C[C@@]1(CNC(=O)Cn2cc(C#N)c(O)nc2=O)CCCC[C@H]1O 1411857580 ODIPKTXIIISOLH-ABAIWWIYSA-N 320.349 -0.122 30 20 DBED COCCN1C[C@@H](C(=O)NCCN(C)C(=O)[C@@H](C)C#N)CC1=O 1415516582 KQPJOEDHWDZTPV-RYUDHWBXSA-N 324.381 -0.784 30 20 DBED CNC(=O)NC(=O)[C@H](C)N[C@H]1C[C@@H](CNC(=O)[C@@H](C)C#N)C1 1418615509 LQKVQOHJPFLLJI-XWLWVQCSSA-N 309.370 -0.525 30 20 DBED N#Cc1c[nH]c(C(=O)NCC2(O)CN(Cc3ccon3)C2)c1 1421423725 FPQYSTCLIAKVOK-UHFFFAOYSA-N 301.306 -0.149 30 20 DBED COc1nccc(C(=O)N2CC[C@H](NC(=O)[C@@H](C)C#N)C2)n1 1428139686 WPWJVOQJTXUNGN-UWVGGRQHSA-N 303.322 -0.024 30 20 DBED C[C@H](C#N)C(=O)N(C)CC(C)(C)CN[C@H](C)C(=O)NC(N)=O 1440871691 PKMGGPMVXBJBCN-NXEZZACHSA-N 311.386 -0.196 30 20 DBED CN(C)CCCC(=O)NC[C@H](O)CNC(=O)c1cc(C#N)c[nH]1 1452336949 UVQDVYJLDHBMCN-LBPRGKRZSA-N 321.381 -0.565 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)Cc2cnn(C)c2)C1 1459648182 JFCUFEHWKDLPPD-ABAIWWIYSA-N 319.365 -0.798 30 20 DBED CNC(=O)NCCC(=O)N[C@](C)(CNC(=O)[C@H](C)C#N)C1CC1 1499629071 KQNQICJZSPDNMU-MEBBXXQBSA-N 323.397 -0.134 30 20 DBED CC(C)c1nnnn1CC(=O)NC[C@@H](C)CNC(=O)[C@@H](C)C#N 1500240320 JXWROXBXHSAELH-MNOVXSKESA-N 321.385 -0.175 30 20 DBED COC(C)(C)CC(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1 1523884217 CQTLUEWHZXUJEE-SNVBAGLBSA-N 316.379 -0.233 30 20 DBED CC#CCN1CCO[C@H](CNC(=O)CCOCc2cnn[nH]2)C1 1575123679 URPUTWBAIGKJHD-CQSZACIVSA-N 321.381 -0.448 30 20 DBED COCCn1nnc2c1CCN(C(=O)C#CC1CCNCC1)C2 1579078092 PTOCVNAOYLKGFQ-UHFFFAOYSA-N 317.393 -0.188 30 20 DBED C#CCN(CC(=O)O)C(=O)C(=O)Nc1cc(C)[nH]c1C(=O)OC 1588395469 MTWRZNBANCPAFZ-UHFFFAOYSA-N 321.289 -0.405 30 20 DBED C#CCN(CC(=O)O)C(=O)[C@@H](NC(=O)C1CCCC1)[C@@H](C)O 1588397595 MZEZDIJRIAZLAN-MFKMUULPSA-N 310.350 -0.411 30 20 DBED C#CCN(CC(=O)O)C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)O 1588417519 SSXYMMPUGNXVGC-KOLCDFICSA-N 314.338 -0.193 30 20 DBED N#C[C@]1(F)CCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)cn2)C1 1592670431 AEBFLLHTIWKAQQ-LLVKDONJSA-N 323.313 -0.112 30 20 DBED CC(C)N(CCC(=O)O)S(=O)(=O)N1CCO[C@H](C#N)C1 1603880023 XSCUIJCFAFDXPM-SNVBAGLBSA-N 305.356 -0.359 30 20 DBED COC(=O)[C@@H]1C[C@@H](C(=O)O)CCN1S(=O)(=O)CCCC#N 1606377038 RZIDKVKVTXWEDN-UWVGGRQHSA-N 318.351 -0.042 30 20 DBED N#Cc1ccc([C@H](O)C(=O)N2CCNC(=O)[C@@H]2CC(=O)O)cc1 1608202965 ZEHROVDUMWATHP-AAEUAGOBSA-N 317.301 -0.607 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](CC(=O)O)C2)CCO1 1611291234 LOUIPCZYLJVBCR-WDEREUQCSA-N 309.322 -0.549 30 20 DBED CNC(=O)NCC(=O)NC[C@H]1CCCCN1CC#CCOC 1752820690 HDZKCGKJHZLORO-CYBMUJFWSA-N 310.398 -0.464 30 20 DBED COCC#CCN[C@@H](C)CNC(=O)c1ccc2nnc(O)n2c1 1752905856 RUWWQGFGIDOBLE-NSHDSACASA-N 317.349 -0.207 30 20 DBED C#CCNC(=O)CN(CCNC(=O)[C@@H]1C[C@@H](C)CO1)C1CC1 1753157154 XMKGOHVIJQMROU-OCCSQVGLSA-N 307.394 -0.259 30 20 DBED C=CCOCC(=O)N(CC)[C@H]1CCN(CC(=O)NC(N)=O)C1 1753453751 WVZKSDRPXAWPBL-NSHDSACASA-N 312.370 -0.693 30 20 DBED C#CCCNC[C@H](C)N(C)C(=O)[C@@H]1Cc2cncn2C(=O)N1 1753704665 IBKUPCGJHKKUBC-AAEUAGOBSA-N 303.366 -0.175 30 20 DBED N#Cc1c[nH]c(C(=O)NC/C=C\CN[C@@H]2CCC(=O)NC2=O)c1 1754109279 PSYVBXLBTXAQSH-RFMOXSJOSA-N 315.333 -0.433 30 20 DBED COCC#CCN(C)C[C@H](C)NC(=O)c1cccnc1C(N)=O 1754333368 PNMOIUSFBSJHAZ-LBPRGKRZSA-N 318.377 -0.120 30 20 DBED CN1CCC(C(=O)N[C@H](CNCC(=O)NCC#N)C2CC2)CC1 1754450200 IRZVJAVLZWSMKO-CQSZACIVSA-N 321.425 -0.548 30 20 DBED C#CCNC[C@@H](NC(=O)CNC(=O)c1ccccn1)C1CC1 1754460774 AEDUKNKKMAVLFB-CQSZACIVSA-N 300.362 -0.071 30 20 DBED CC#CCNC1(CNC(=O)CCN2CCOCC2)CCOCC1 1754740550 FRGUAWDIEYAHND-UHFFFAOYSA-N 323.437 -0.013 30 20 DBED C=CC(C)(C)CC(=O)NC1(CCO)CN(CC(=O)NCC#N)C1 1755334424 YXXXBMVZRIFSMC-UHFFFAOYSA-N 322.409 -0.219 30 20 DBED CNC(=O)CNCCCOC1CCN(C(=O)[C@H](C)C#N)CC1 1755344461 YXXQSXSJSSJLME-GFCCVEGCSA-N 310.398 -0.121 30 20 DBED C[C@@H](NC(=O)CN1CCNC(=O)C1)C1CCN(CC#N)CC1 1755844050 GLJPTQVRIRNEIO-GFCCVEGCSA-N 307.398 -0.842 30 20 DBED COCC#CCN1CC=C(CNC(=O)[C@@H]2CC[C@H]2C(N)=O)CC1 1755890748 KPBUHRALJPXMHK-HUUCEWRRSA-N 319.405 -0.104 30 20 DBED CCCC[C@H](CNC(=O)C#CC1CC1)NC(=O)Cn1cnnn1 1756106615 DVUGTFKOBCYYBF-CYBMUJFWSA-N 318.381 -0.122 30 20 DBED CC(=O)N[C@H](C)C(=O)NC[C@H]1[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]12 1756189586 HZSRTVOIIAZZTD-QZKOUSHUSA-N 317.389 -0.255 30 20 DBED C#CCCCC(=O)NC[C@@H](CO)NC(=O)c1nccnc1N 1756515116 FXYLAKBHRCEKGN-JTQLQIEISA-N 305.338 -0.931 30 20 DBED COCCN(CCNC(=O)Cc1nc[nH]n1)C(=O)C#CC1CC1 1756729334 OSMSHORDCZLJTF-UHFFFAOYSA-N 319.365 -0.648 30 20 DBED CC(C)C#CC(=O)N[C@H]1CC[C@H](C)N(C(=O)Cn2ncnn2)C1 1756794590 YPRDLWQNXQWZQT-STQMWFEESA-N 318.381 -0.172 30 20 DBED C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCCN(C)C3)C2)C1 1781004034 VFZPSSDHWARXGV-RHSMWYFYSA-N 319.405 -0.209 30 20 DBED CC(C)[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC#N)[C@H]2C1 1786361965 AVDCZEUNHLZADV-ABHRYQDASA-N 323.393 -0.103 30 20 DBED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ncon3)[C@H]2C1 1789089366 RLVMHLYKHSMRBD-DCAQKATOSA-N 304.306 -0.704 30 20 DBED C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CCOC1=O 1793352371 ULBKZQUBDWBUBF-ZSBIGDGJSA-N 305.334 -0.290 30 20 DBED C/C(=C/C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC#N)C2)C(=O)O 1802015516 YWVKQARKRAOBHM-KSDOGUMDSA-N 321.333 -0.479 30 20 DBED N#CCCC(=O)N1CCCC12CN(C(=O)CN1CCOCC1)C2 1842812958 VHMFTSOSKGSURZ-UHFFFAOYSA-N 320.393 -0.174 30 20 DBED C=CCSCC(=O)N1CC2(CCCN2C(=O)[C@@H](N)CN)C1 1843348339 GYJRTCFNZQYTLE-NSHDSACASA-N 312.439 -0.605 30 20 DBED C=CC(=O)N[C@@H](C)C(=O)N1CCCC12CN(C(=O)CC#N)C2 1844369605 XFFHYADEWQFPSX-NSHDSACASA-N 304.350 -0.206 30 20 DBED N#Cc1cccc(OCCN2CCN(S(N)(=O)=O)CC2)c1 52488099 NFFCOPZEOVNUHP-UHFFFAOYSA-N 310.379 -0.242 30 20 DBED C#CCN1CCN(C(=O)CN2CCOC3(CCOCC3)C2)CC1 135613037 GYWBTSXTHCAIPZ-UHFFFAOYSA-N 321.421 -0.355 30 20 DBED C[C@H](O)C(=O)N1CCN([C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 153002339 RRHMXNFITGDHCE-SMDDNHRTSA-N 316.361 -0.390 30 20 DBED C/N=C(/NCC(=O)NC1CC1)N1CCO[C@H](c2cnn(C)c2)C1 261825836 VAOYHJLBOPHMCG-ZDUSSCGKSA-N 320.397 -0.353 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCCC[C@@H]2CN)C1=O 262535180 AKVRWWDPSCENLE-SNVBAGLBSA-N 308.338 -0.697 30 20 DBED CNC(=O)N1CCN(CC(=O)N(CCC#N)CCC#N)CC1 267089425 UCLVRPGXHPPRPQ-UHFFFAOYSA-N 306.370 -0.401 30 20 DBED N#C[C@@H]1COCCN1C(=O)[C@H](O)[C@@H](O)c1nc2ccccc2[nH]1 275750864 UNGPDQGIQSLPDB-OASPWFOLSA-N 316.317 -0.292 30 20 DBED C=CCCOCCNC(=O)C(=O)NCCN(C)CCOC 286018439 QKTDKPZQZTVRCL-UHFFFAOYSA-N 301.387 -0.610 30 20 DBED C/N=C(/O)CN1CCN(S(=O)(=O)CC[C@H]2CCOC2)CC1 328768902 QKVNGZBFFKDEHU-GFCCVEGCSA-N 319.427 -0.053 30 20 DBED C[C@H]1CCCN(CC/N=C(/O)NCCN2C(=O)CN=C2O)C1 329564292 SGHGUCYOTIRTLB-NSHDSACASA-N 311.386 -0.022 30 20 DBED C[C@H](C/N=C(/O)NC[C@H]1COCCO1)CN1CCN(C)CC1 329776021 NONZSEVBCWDROA-KGLIPLIRSA-N 314.430 -0.211 30 20 DBED CC(C)(O)CN1CCN(/C(O)=N/[C@@H]2CC[S@@](=O)C2)CC1 330028744 PCQFRVVZEQCWQS-BIBXISHDSA-N 303.428 -0.190 30 20 DBED COC(=O)[C@@H]1CC[C@@H](NS(=O)(=O)N2CCO[C@H](C#N)C2)C1 337133421 AWNXGLSFLQXVCQ-GMTAPVOTSA-N 317.367 -0.613 30 20 DBED C[C@@H](NS(=O)(=O)N1CCO[C@@H](C#N)C1)C(=O)N1CCCC1 337255541 SWQNPUGTOXDWCN-MNOVXSKESA-N 316.383 -0.944 30 20 DBED COC(=O)[C@H]1COCCN1S(=O)(=O)N(C)[C@@H](C)CC#N 337989057 IGFRNFROKHKCTG-VHSXEESVSA-N 305.356 -0.661 30 20 DBED CC(C)N1CC[C@@H](NC(=O)C(=O)N2CCC(C#N)CC2)C1=O 349223098 JEHZQGDMZRPMIW-GFCCVEGCSA-N 306.366 -0.126 30 20 DBED N#Cc1cncc(S(=O)(=O)NCC2CCN(CCO)CC2)c1 352258600 YOLFGWPRUWYCIG-UHFFFAOYSA-N 324.406 -0.064 30 20 DBED N#CCCNS(=O)(=O)c1ccc(C(=O)NCC(=O)O)cc1 357882278 RRWIINZDZVHQTA-UHFFFAOYSA-N 311.319 -0.307 30 20 DBED C#CCN1CCN(C(=O)CN2CCC(CCC(N)=O)CC2)CC1 490875522 QICIWDGYCGQLOD-UHFFFAOYSA-N 320.437 -0.259 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@@H](C)C2CCOCC2)CC1 491070291 ANOYJYUBUYOOQC-AWEZNQCLSA-N 321.421 -0.057 30 20 DBED C#CCNC(=O)CN1CCN(CCc2cnn(CC)c2)CC1 491394654 NMXBITGUWJSLRH-UHFFFAOYSA-N 303.410 -0.188 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CCC(=O)C[C@@H]2C)CC1 491724671 GTJJFXCQQXZISF-DZGCQCFKSA-N 319.405 -0.115 30 20 DBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)CN1CCCNC1=O 538253585 CEUSPDPLAFSVKH-UHFFFAOYSA-N 319.369 -0.330 30 20 DBED N#Cc1ccc(OC[C@@H](O)CNC[C@@H](O)Cn2ccnn2)cc1 566231772 UBPBQLRHPJPFQW-KGLIPLIRSA-N 317.349 -0.460 30 20 DBED CS(=O)(=O)c1ccc(NC(=O)NCC(=O)NCC#N)cc1 586787309 DVZNKZASXBHIRA-UHFFFAOYSA-N 310.335 -0.149 30 20 DBED N#CCNC(=O)CNC(=O)CCn1cc(Br)cn1 588078978 UYCAAYDGGCTOQE-UHFFFAOYSA-N 314.143 -0.208 30 20 DBED CCOCCN(CC)C(=O)C(=O)NC1CCN(CC#N)CC1 588125982 VUNXHYLHBCCTGV-UHFFFAOYSA-N 310.398 -0.024 30 20 DBED CN1CCN(C(=O)CCNC(=O)N2CC[C@@](O)(CC#N)C2)CC1 591913097 VJCCCADUMYYAOA-HNNXBMFYSA-N 323.397 -0.789 30 20 DBED CS(=O)(=O)NC1CN(C(=O)COc2ccc(C#N)cc2)C1 600335302 AFHMVPJMNMSTEE-UHFFFAOYSA-N 309.347 -0.303 30 20 DBED C[C@@]1(CN)CCN(C(=O)C(=O)N2CCN(CCC#N)CC2)C1 601582062 JXSZUMQICXFGDE-HNNXBMFYSA-N 307.398 -0.758 30 20 DBED N#CCCN1CCN(C(=O)C(=O)N[C@H]2CCC[C@H]2CCO)CC1 602275077 YHYJXSUFKIRLNM-KBPBESRZSA-N 322.409 -0.288 30 20 DBED CC(C)[C@@H](C#N)N1CCN(CC(=O)N[C@@H](C)C(=O)N(C)C)CC1 609539113 SWKAUTLGNNCFCQ-UONOGXRCSA-N 323.441 -0.255 30 20 DBED C=CC[C@H](CO)CNC(=O)N[C@H]1CS(=O)(=O)C[C@H]1OC 666104675 XCSMQJWBMCGZOZ-GARJFASQSA-N 306.384 -0.718 30 20 DBED C=C[C@H](O)C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 667913415 JOSIYOQISJYONI-LBPRGKRZSA-N 319.365 -0.822 30 20 DBED N#Cc1ccnc(N2CCCN(CC(N)=O)CC2)c1[N+](=O)[O-] 760452407 VXKJUVXJEMZASL-UHFFFAOYSA-N 304.310 -0.141 30 20 DBED C#CCOCCNC(=O)N1CCC(N(C)S(C)(=O)=O)CC1 784556153 UXAWFCBJRUJHFI-UHFFFAOYSA-N 317.411 -0.298 30 20 DBED C=CCS(=O)(=O)CCNC(=O)[C@@H]1CCC[C@@H](C(N)=O)C1 787255744 BPRVKXPBUOTZPE-GHMZBOCLSA-N 302.396 -0.005 30 20 DBED Cn1cc(S(=O)(=O)NN=C2CC(C)(C)C2)c(=O)n(C)c1=O 814883368 LFIPIVHCCWOFKL-UHFFFAOYSA-N 314.367 -0.462 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@]2(C)CC2(F)F)CC1 831579466 DMXXXURNOQFSMU-NSHDSACASA-N 321.349 -0.357 30 20 DBED C#CCN1CCN(C(=O)CN2CC[C@H](OC)C[C@H]2C(=O)O)CC1 833363973 CJBRSAIZBNCJLI-KBPBESRZSA-N 323.393 -0.672 30 20 DBED N#Cc1ccc(NC(=O)COC(=O)C2(S(N)(=O)=O)CC2)cc1 845202862 XHKHGNMMGVBZKV-UHFFFAOYSA-N 323.330 -0.139 30 20 DBED CS(=O)(=O)CCN1CCC(N=c2cc[nH]c(C#N)n2)CC1 848663160 DPTMKJLEAVWFBT-UHFFFAOYSA-N 309.395 -0.309 30 20 DBED C=CCn1nnn(CN2CCN(C(=O)COC)CC2)c1=S 919939158 NYVRUBWDTLIJMP-UHFFFAOYSA-N 312.399 -0.257 30 20 DBED O=C(NCC#CCO)N[C@H]1CCCN(C(=O)N2CCCC2)C1 923769701 PFQJVZQDGPCLOS-ZDUSSCGKSA-N 308.382 -0.039 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CN1CCOCC1 936919490 HBAGMTSQMDSBDQ-AVGNSLFASA-N 306.366 -0.710 30 20 DBED O=C1C[C@H](CC(=O)N[C@@H]2CCN(C(=O)C#CC3CC3)C2)C(=O)N1 941478285 BHSIRKXASZTQSK-NWDGAFQWSA-N 317.345 -0.830 30 20 DBED CN1C[C@@H](C(=O)N[C@@H]2CCN(C(=O)C#CC3CC3)C2)NC1=O 942013045 VZHCYGWCIIGIGT-NEPJUHHUSA-N 304.350 -0.860 30 20 DBED C[C@@H](C#N)C(=O)N1CCCC[C@@H](NC(=O)Cn2ncnn2)C1 943268088 HVPVUPXWAKWKHL-WDEREUQCSA-N 305.342 -0.670 30 20 DBED C[C@H]1CN(CC#N)CC[C@H]1NC(=O)CN1C(=O)NC(C)(C)C1=O 944650429 AJKNCVLCUACJIE-WDEREUQCSA-N 321.381 -0.333 30 20 DBED Cc1nc(CC(=O)NC2CCN(C(=O)[C@H](C)C#N)CC2)n[nH]1 948099833 ZWOXIAFCRQPTEH-SECBINFHSA-N 304.354 -0.078 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]1CNC(=O)c1cn(C)ccc1=O 951324250 UTZAFZUQRYHZCL-QWRGUYRKSA-N 302.334 -0.124 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]1CNC(=O)c1cn(C)c(=O)cn1 951487172 AWORVGSOXJTETH-ZJUUUORDSA-N 303.322 -0.729 30 20 DBED Cn1nnc2cc(C(=O)NC[C@H]3CN(CC#N)C[C@@H]3O)ccc21 958184052 UFQZJQCZCDFWME-FZMZJTMJSA-N 314.349 -0.486 30 20 DBED C=CCN1C[C@@H](O)[C@H](CNC(=O)c2ccc3nnnn3c2)C1 958257694 IVULPKCSDYCOMD-VXGBXAGGSA-N 302.338 -0.667 30 20 DBED CCn1cc(C(=O)N(C)[C@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)cn1 958761120 JQQCQDTYMNXFSH-DRZSPHRISA-N 319.365 -0.294 30 20 DBED Cc1ccc(C(=O)N(C)[C@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)nn1 958843609 DVUNMGDQCLXNPV-XDTLVQLUSA-N 317.349 -0.412 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H]2CN(C(=O)c3ncccn3)C[C@@H]21 960877707 NOYKKSPACIUIAG-SDDRHHMPSA-N 315.333 -0.312 30 20 DBED C=CCCN1C[C@@H]2C(NC(=O)CN3C(=O)C(=O)N(C)C3=O)[C@H]2C1 961942094 XXORSVFANANKCU-UWVGGRQHSA-N 320.349 -0.971 30 20 DBED C=C1CC(C)(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@@H]3CCN(C)C3)C2)C1 963382248 GETACZOHRLKCMT-MCIONIFRSA-N 321.421 -0.018 30 20 DBED C#CCNC1CCC(N(C)C(=O)[C@@H]2CCS(=O)(=O)N2)CC1 964406446 OAYLIXGPOHTINR-BPCQOVAHSA-N 313.423 -0.330 30 20 DBED Cc1nc[nH]c1C(=O)N1CC2(C1)CN(C(=O)[C@@H](C)C#N)CCO2 965477752 OVHPRICUZGQWFH-JTQLQIEISA-N 317.349 -0.069 30 20 DBED C#CCN1CCC(C(=O)N2CC3(C[C@H](NC(C)=O)CO3)C2)CC1 965569276 AFTXZHJDHXVWJR-HNNXBMFYSA-N 319.405 -0.162 30 20 DBED CN(C)C(=O)CN1CCO[C@]2(CCN(C(=O)C#CC3CC3)C2)C1 972377519 HOYLNQLMHIRRME-QGZVFWFLSA-N 319.405 -0.209 30 20 DBED CN1C[C@H](C(=O)N2CC[C@@]3(CN(CC#N)CCO3)C2)CC1=O 972406188 CRMDLVHDOWQTMS-IUODEOHRSA-N 306.366 -0.708 30 20 DBED C#CCCN1CCO[C@]2(CCN(C(=O)[C@H]3CCC(=O)N3C)C2)C1 972513673 JELOGPOUJZTOND-RHSMWYFYSA-N 319.405 -0.066 30 20 DBED N#Cc1c[nH]c(C(=O)N2C[C@H]3[C@H](NC(=O)Cn4cccn4)[C@H]3C2)c1 976170882 AFMXLAKPLBQVNJ-JYAVWHMHSA-N 324.344 -0.030 30 20 DBED C#CCCN1C[C@H](NC(=O)CN2C(=O)CN(C)C2=O)C(C)(C)C1 977563772 FKJJZHYELIDWJQ-LBPRGKRZSA-N 320.393 -0.270 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](CNC(=O)c2cnn(C)c2N)C1 983213892 GKUHJAFTNMUJSC-UWVGGRQHSA-N 304.354 -0.260 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](CNC(=O)c2c[nH]c(C(N)=O)c2)C1 983219683 CYYCVZLLERFKIJ-NXEZZACHSA-N 317.349 -0.148 30 20 DBED CN(CC#N)C1CCN(C(=O)CCn2ncn(C)c2=O)CC1 985548952 ARTZQHFDQKTUJW-UHFFFAOYSA-N 306.370 -0.582 30 20 DBED CC(=O)N1CC(C(=O)N(C)C[C@@H]2CCN(C(=O)[C@H](C)C#N)C2)C1 988289634 XZZGBTPJMSSBDF-YPMHNXCESA-N 320.393 -0.069 30 20 DBED Cc1[nH]nc(C(=O)N2CC(NC(=O)c3ccc(C#N)[nH]3)C2)c1O 990889808 OWGINHPRKFELJW-UHFFFAOYSA-N 314.305 -0.122 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC(NC(=O)[C@@]34COC[C@@H]3C4)C2)c1 993477897 WHGIMYAUYNNDQO-BONVTDFDSA-N 300.318 -0.137 30 20 DBED C[C@H](C#N)C(=O)N1CC(NC(=O)[C@]2(C)CCCS2(=O)=O)C1 995347848 AEWZVQPJWRBQEO-RNCFNFMXSA-N 313.379 -0.560 30 20 DBED N#Cc1ccc(C(=O)N2CCN(C(=O)c3cnon3)CC2)[nH]1 1011019526 AHMMDRQFYLZKMN-UHFFFAOYSA-N 300.278 -0.132 30 20 DBED CC#CCN1CC[C@H](NC(=O)CN2C(=O)CC(C)(C)C2=O)C1 1014442954 BIRXQJSRAHFYHQ-LBPRGKRZSA-N 305.378 -0.015 30 20 DBED N#CCN1CCC2(CC1)C[C@@H]2NC(=O)[C@@H]1CCS(=O)(=O)N1 1016977959 CXHITDADDVCDGT-QWRGUYRKSA-N 312.395 -0.828 30 20 DBED O=C1N[C@H](C(=O)NCC2=CCN(C(=O)C#CC3CC3)CC2)CO1 1017422976 HDEGGRPITCHYOG-ZDUSSCGKSA-N 317.345 -0.217 30 20 DBED N#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)CC[C@@H]1NC(=O)NC1=O 1018250286 ZPUKOGWNAXHIPW-AXFHLTTASA-N 305.338 -0.827 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@H](NCc3nc(O)n[nH]3)C2)c1 1018682774 SCVRRNDKRKBJCT-VIFPVBQESA-N 301.310 -0.286 30 20 DBED Cc1nn(C)cc1C(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1023218356 RURRNKDTIIMCFA-ZIAGYGMSSA-N 316.361 -0.557 30 20 DBED C=CCN1CCCC[C@H]1CNC(=O)[C@@H]1CCS(=O)(=O)N1 1024806800 MMRRGXPQLDRNBQ-RYUDHWBXSA-N 301.412 -0.165 30 20 DBED CCn1cc(C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2O)nn1 1025411124 NDFZHEFONNIMNF-DGCLKSJQSA-N 317.349 -0.987 30 20 DBED C#CCN(C)[C@H]1CCCN(C(=O)CN2CCCS2(=O)=O)C1 1027434071 JFKMDAHZIDQEQY-ZDUSSCGKSA-N 313.423 -0.422 30 20 DBED CN1CC[C@H](N2CC(CNC(=O)c3c[nH]c(C#N)c3)C2)C1=O 1031623504 HDFRXIVKAORBNP-ZDUSSCGKSA-N 301.350 -0.221 30 20 DBED CN(C)C(=O)CN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C#N)c[nH]1 1032338244 QTIMLSANPLMFML-RYUDHWBXSA-N 301.350 -0.127 30 20 DBED CC[C@H]1CN(C(=O)c2cn(C)c(=O)nc2O)CC[C@H]1NCC#N 1037974241 NWTSRFMWZVQJKC-CMPLNLGQSA-N 319.365 -0.160 30 20 DBED Cn1cc(C(=O)N2CC[C@H]3CN(c4cnc(C#N)cn4)C[C@H]32)nn1 1040604049 YUTBVELKKHUYNL-GXFFZTMASA-N 324.348 -0.172 30 20 DBED C=CCCCC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2CNC(=O)N2)C1 1040729500 QJXLAGPPERMBTK-NHYWBVRUSA-N 324.381 -0.896 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@](O)(CNC(=O)C(C)(C)C)C1 1040873501 NXFKPCFDLKZIFP-INIZCTEOSA-N 323.393 -0.748 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)Cc3ccc[nH]3)C2)nn1 1041060049 WLDMZYZRVQRRMA-CHWSQXEVSA-N 312.333 -0.415 30 20 DBED C=CCCOCC(=O)N1CC(O)(CNC(=O)[C@H](CC)OC)C1 1041913280 ISCMLLQCROFBIM-LBPRGKRZSA-N 314.382 -0.306 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@@H]3C[C@@H]3C2)C1 1042043000 BSRHZBROQZHQEU-ITGUQSILSA-N 308.378 -0.075 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)Cc2ccon2)C1 1042936263 CWDBYFJLZGVNSY-UHFFFAOYSA-N 305.334 -0.434 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)C2CCOCC2)C1 1042937921 NWTRIWGXLQZLJH-UHFFFAOYSA-N 308.378 -0.238 30 20 DBED Cc1c(C(=O)N2CC(O)(CNC(=O)C#CC3CC3)C2)cnn1C 1042957973 CIVIDJCVANYVLE-UHFFFAOYSA-N 316.361 -0.555 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)CCOCC)C1 1043040188 PBMZMZOMMCKURA-LBPRGKRZSA-N 312.366 -0.859 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(O)(CNC(=O)[C@@]23COC[C@@H]2C3)C1 1043362930 WELUSXRJGBKKRF-PEYYIBSZSA-N 324.377 -0.961 30 20 DBED C=CCCOCC(=O)NCC1(O)CN(C(=O)[C@@H](C)OC)C1 1043565483 NBLHEIRVRQLUFW-LLVKDONJSA-N 300.355 -0.697 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCC2(F)F)C1 1043592186 ROBMNGKTHODWSL-JTQLQIEISA-N 318.320 -0.076 30 20 DBED Cc1cc(C(=O)N[C@@H]2CN(c3ccc(C#N)nn3)C[C@@H]2O)n[nH]1 1043869496 QIVFULXRETWTLJ-NEPJUHHUSA-N 313.321 -0.641 30 20 DBED N#Cc1cnc(N2C[C@H](O)[C@H](NC(=O)Cc3cccnc3)C2)cn1 1043910303 GJXRQAUHZNSDTA-KGLIPLIRSA-N 324.344 -0.348 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)[C@]2(C)CCOC2)C1 1045298006 JDXIWVZQBOTWNZ-CQSZACIVSA-N 312.366 -0.695 30 20 DBED CC[C@@H]1CCO[C@@H]1C(=O)N1CC(O)(CNC(=O)[C@H](C)C#N)C1 1045564770 MWYCKEQMFACMPS-UTUOFQBUSA-N 309.366 -0.349 30 20 DBED C=CCN1[C@H]2CC[C@H]1CN(C(=O)Cn1c(O)nnc1O)CC2 1045883730 WKKMYIULTXLXBB-QWRGUYRKSA-N 307.354 -0.059 30 20 DBED CN1C[C@@H](C(=O)N2CCN([C@@H]3CCN(CC#N)C3)CC2)CC1=O 1046033227 BHLHBOUBSVWFRT-UONOGXRCSA-N 319.409 -0.793 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)CCc2cncs2)C1 1046695032 AYNUZJTZECTKLE-JTQLQIEISA-N 322.390 -0.075 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)c2[nH]c(C)nc2C)C1 1046763902 SXFDMEGYPXHGNC-UHFFFAOYSA-N 322.365 -0.468 30 20 DBED Cc1nc(CC(=O)NCC2(O)CN(C(=O)[C@H](C)C#N)C2)cs1 1046875685 OBOUOAXZTSBHBP-SECBINFHSA-N 322.390 -0.157 30 20 DBED N#Cc1cnc(N[C@H]2C[C@H](CNC(=O)[C@@H]3CNC(=O)N3)C2)cn1 1047009838 VNVRQPJTDLDOEZ-QXEWZRGKSA-N 315.337 -0.664 30 20 DBED CN(C(=O)Cc1n[nH]c2c1CCCC2)[C@H]1CN(CC#N)C[C@@H]1O 1047379739 LIUYWAOADOLBBG-GJZGRUSLSA-N 317.393 -0.142 30 20 DBED C#CCCCC(=O)N(C)[C@H]1CN(C(=O)c2ccnn2C)C[C@@H]1O 1048749901 DJTGMLHCAHWAFE-KBPBESRZSA-N 318.377 -0.133 30 20 DBED CC(C)C#CC(=O)N(C)[C@H]1CN(C(=O)c2cnccn2)C[C@@H]1O 1048799171 UTLVDFFGIKPMLA-KBPBESRZSA-N 316.361 -0.220 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCn2ccnc2)C1 1049126377 ZPHPLPDFAFVKTR-AGIUHOORSA-N 319.365 -0.537 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCN(C)C2=O)C1 1049242174 RXIQNWHSDBOMST-AGIUHOORSA-N 323.393 -0.539 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)c1cnc(C)nc1OC 1050946330 GHIJCLVBQVPUAZ-GFCCVEGCSA-N 304.350 -0.143 30 20 DBED N#Cc1cnccc1N1CC[C@H](NC(=O)c2cnon2)[C@H](O)C1 1051719999 WCKAZMVADPSIED-GXFFZTMASA-N 314.305 -0.294 30 20 DBED C#CCN1CCN([C@@H]2CCN(C(=O)[C@H]3CN(C)CCO3)C2)CC1 1051998837 BETKWAQRNWJJNG-HZPDHXFCSA-N 320.437 -0.831 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](C)[C@@H](CNC(=O)CCNC(N)=O)C1 1052549590 VSKWBDOFMDKOEW-OLZOCXBDSA-N 322.409 -0.085 30 20 DBED C[C@H](C#N)C(=O)N1CCOC2(C1)CN([C@H](C)C(=O)N(C)C)C2 1053190741 CXXKJIUZBYWMCV-VXGBXAGGSA-N 308.382 -0.464 30 20 DBED CN1CCCC[C@@H](C(=O)N2CCOC3(CN(CC#N)C3)C2)C1=O 1053506788 QHCMDDZIEKLDDK-CYBMUJFWSA-N 320.393 -0.318 30 20 DBED C[C@H](C#N)C(=O)N1[C@H]2CC[C@@H]1C[C@H](CNC(=O)CC(N)=O)C2 1053668436 IUXIBWMBJSMNMX-WISYIIOYSA-N 306.366 -0.093 30 20 DBED C=CCn1cc(C(=O)N[C@H]2COC3(C2)CN(CCCO)C3)nn1 1053949749 OIFUILGCYCDZGQ-GFCCVEGCSA-N 321.381 -0.580 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)c3nn(CC)nc3C)CO2)C1 1054025290 VHHOOJKTPABPJD-LBPRGKRZSA-N 303.366 -0.187 30 20 DBED C=CCCOCC(=O)N1C[C@@H]2CN(C(=O)c3cnn[nH]3)C[C@@H]2C1 1055378343 DBXUOWDVCMBRBW-TXEJJXNPSA-N 319.365 -0.072 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)c1cccn1C 1057193905 UGHUSNCPIKFYPV-UHFFFAOYSA-N 309.366 -0.222 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)[C@@H](CCC)OC 1057196851 YLECKJXFUJLWID-CYBMUJFWSA-N 316.398 -0.059 30 20 DBED C#CCOCCC(=O)NCCN(CCO)C(=O)/C=C\C1CC1 1057271449 NJCMBNSDFMPMGC-WAYWQWQTSA-N 308.378 -0.070 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)[C@@H]1COCCN1C 1057382925 ITFVEYPFEAJWOC-ZDUSSCGKSA-N 313.398 -0.780 30 20 DBED O=C(NCCN(CCO)C(=O)C#CC1CC1)[C@H]1CCCCO1 1057531134 GLALKYIOZMDGPD-CQSZACIVSA-N 308.378 -0.094 30 20 DBED O=C(NCCN(CCO)C(=O)C#CC1CC1)c1cncnc1O 1057535775 FUDFXWZLNLDKED-UHFFFAOYSA-N 318.333 -0.854 30 20 DBED C=CCCOCC(=O)N(CCO)CCNC(=O)c1cnco1 1057920606 XFEVGSMJVSNYHU-UHFFFAOYSA-N 311.338 -0.182 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)[C@H]1C[C@H]2C=C[C@H]1O2 1057945014 MNYJPZWJUJLJRI-QLFBSQMISA-N 320.389 -0.074 30 20 DBED CCn1nc(C)c(C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N)n1 1058010693 YLYZBSJYXPIZEC-JTQLQIEISA-N 322.369 -0.683 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)C(C)(C)c1cnc[nH]1 1058160623 DCRDGMIOYCDKFH-NSHDSACASA-N 321.381 -0.216 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)[C@@]12CCCN(CC1)C2 1058266079 BYNNDYMOTULNSU-BBRMVZONSA-N 322.409 -0.431 30 20 DBED N#Cc1nccnc1N1CC[C@@H](NC(=O)[C@H]2COC(=O)N2)C1 1058350001 BBWMOZRNKONROX-PSASIEDQSA-N 302.294 -0.848 30 20 DBED C=C[C@@H](C)[C@@H](C)C(=O)N(CCO)CCNC(=O)c1cn(C)nn1 1058434938 AOMVCVSAYYNOOR-VXGBXAGGSA-N 323.397 -0.176 30 20 DBED N#Cc1nccc(N2CC[C@@H](NC(=O)[C@H]3CCCNC3=O)C2)n1 1058467459 MJLDPORIEIWKGQ-MNOVXSKESA-N 314.349 -0.431 30 20 DBED Cc1nn(C)c(C)c1C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N 1058661472 XLFYDJKNVSJECR-JTQLQIEISA-N 321.381 -0.253 30 20 DBED N#Cc1cnc(NC[C@H]2CCN(C(=O)Cn3cnnn3)C2)cn1 1060803772 RTHDFWZKOQWWBF-SNVBAGLBSA-N 313.325 -0.705 30 20 DBED CC(C)C#CC(=O)N1CCOC[C@@H]1CNC(=O)c1cn(C)nn1 1061550386 MRXPVGXMSZQRHN-LBPRGKRZSA-N 319.365 -0.568 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1COCCN1C(=O)c1ncccn1 1061572117 OQZSHATVOZJCOV-CYBMUJFWSA-N 314.345 -0.153 30 20 DBED CN(C(=O)c1ncn(C)n1)[C@@H]1CCN(c2nccnc2C#N)C1 1062927622 YWDLSYOYQXZQAO-SNVBAGLBSA-N 312.337 -0.172 30 20 DBED N#Cc1nccnc1N1C[C@H]2C[C@H]1[C@H]2NC(=O)c1cc[n+]([O-])cc1 1064214999 APQTZGSSKLKEAM-XBFCOCLRSA-N 322.328 -0.011 30 20 DBED N#Cc1cncc(N2CCC[C@@]3(CCN(C(=O)C(N)=O)C3)C2)n1 1064567255 HXSZWUBWCIHYCP-OAHLLOKOSA-N 314.349 -0.348 30 20 DBED CO[C@@H](C)C(=O)N1CCO[C@@H](CNC(=O)CSCC#N)C1 1064921586 ZWBHOOOCFFOFCP-QWRGUYRKSA-N 315.395 -0.378 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)COCCC)CCO1 1064942162 XLUOMAVDXHMHSQ-ZDUSSCGKSA-N 314.382 -0.041 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)[C@H](C)NC(N)=O)CCO1 1065082778 CZTDREWSDFTDBX-NWDGAFQWSA-N 324.381 -0.954 30 20 DBED Cc1ncc(C(=O)N2CCO[C@H](CNC(=O)[C@H](C)C#N)C2)n1C 1065501518 IRULUNKBYHWXFU-ZYHUDNBSSA-N 319.365 -0.155 30 20 DBED C#Cc1ccc(C(=O)N(C)CCCN(C)C(=O)CC(N)=O)cn1 1067048310 HDVBQYIMUVPKOC-UHFFFAOYSA-N 316.361 -0.141 30 20 DBED N#Cc1nc(=NCC2CC(NC(=O)[C@@H]3CCC(=O)N3)C2)cc[nH]1 1067858894 YRUAEABJAODUSK-ILDUYXDCSA-N 314.349 -0.645 30 20 DBED C=CCCC(=O)N1CC2(CC[C@@H](CNC(=O)CC(N)=O)O2)C1 1068544025 WFCRDSWPSHOAOY-NSHDSACASA-N 309.366 -0.296 30 20 DBED CC(C)[C@@H](O)C(=O)N1CC2(C[C@@H](NC(=O)C#CC3CC3)CO2)C1 1068860066 CFSZBYGRAMFJLO-UKRRQHHQSA-N 320.389 -0.097 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1COC2(C1)CN(C(=O)[C@@H]1[C@H]3COC[C@H]31)C2 1069007620 IMNJJLKYRCBJCQ-FHUSYTEZSA-N 319.361 -0.475 30 20 DBED N#CCN[C@@H]1CN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C[C@@H]1n1ccnn1 1070255113 MWNDMUVMMBXCFK-FHUSYTEZSA-N 302.338 -0.964 30 20 DBED Cc1cnn(C)c1C(=O)N1C[C@H](n2ccnn2)[C@H](NCC#N)C1 1070256040 ITXAKFIAHPOEKL-NEPJUHHUSA-N 314.353 -0.501 30 20 DBED C=CCN[C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1c1cncn1C 1070715570 MLDYJXPJPGJOGA-CHWSQXEVSA-N 315.381 -0.218 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)CC2OCCCO2)CC1 1070957783 WLQPGVBYKRQMJP-UHFFFAOYSA-N 323.393 -0.577 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)CCn2ccnn2)C[C@@H]1C 1071977799 FTNWATLZJBZPHQ-QWHCGFSZSA-N 321.381 -0.166 30 20 DBED C[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@@H]1NC(=O)CSCC#N 1072389662 GHOOJVJDERRXCZ-KOLCDFICSA-N 322.394 -0.351 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC2(CCN(CC(=O)NC)C2)C1 1072822662 SCZUNVVNOINZML-AWEZNQCLSA-N 318.421 -0.636 30 20 DBED N#CCN1CCC2(C1)CN(C(=O)c1cn([C@@H]3CCOC3)nn1)C2 1073110410 BDTQXKUJXAZXIB-GFCCVEGCSA-N 316.365 -0.089 30 20 DBED N#CCN1C[C@@H]2CCN(C(=O)[C@H]3CCc4nnnn4CC3)[C@@H]2C1 1076267929 SMBNVOQNHJMEBL-RWMBFGLXSA-N 315.381 -0.318 30 20 DBED Cc1nc(CC(=O)NCC[C@H](C)NC(=O)CSCC#N)n[nH]1 1076435105 CEIIXCYHUGQDFT-VIFPVBQESA-N 324.410 -0.077 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)c2n[nH]c(C)c2O)C1 1076890223 QBICRVUQHAWXKC-RKDXNWHRSA-N 300.746 -0.049 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3nccn3C2)C1 1077259253 MHKXUVJIWJTDDZ-BFHYXJOUSA-N 302.378 -0.370 30 20 DBED C=CCCC(=O)N[C@@H](C)CCNC(=O)CN1CC(=O)N(C)C1=O 1077484981 WNCOIPVESSCKPT-NSHDSACASA-N 324.381 -0.142 30 20 DBED C#CCOCCC(=O)N[C@@H](C)CCNC(=O)CCn1cnnn1 1078025635 OSZXRVXQDVRGAA-LBPRGKRZSA-N 322.369 -0.886 30 20 DBED CCN(C(=O)[C@H](C)S(C)(=O)=O)C1CN(C(=O)[C@@H](C)C#N)C1 1080055520 HBQLWMKFXRXJIL-UWVGGRQHSA-N 315.395 -0.362 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C[C@@H]1O 1081340682 GPEXRZJGZCEFPR-BIGJJFBESA-N 324.377 -0.983 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)Cc2ccco2)C[C@@H]1O 1081345186 ZOHAAEJVFLAQFA-OCCSQVGLSA-N 322.361 -0.040 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)Cn2cccn2)C[C@@H]1O 1081463600 PQEGQRXNRPMKEF-KGLIPLIRSA-N 318.377 -0.522 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)Cn2ccnc2)C1 1081576650 DAUYZQWNLMJJQC-QWHCGFSZSA-N 322.365 -0.979 30 20 DBED CC#CCCCC(=O)NC[C@@H]1CN(C(=O)c2cnon2)C[C@H]1O 1081672425 XZSRWXPKCGEMAR-DGCLKSJQSA-N 320.349 -0.188 30 20 DBED COC(=O)NCC(=O)N1CCCC[C@H]1CNC(=O)[C@@H](C)C#N 1081917816 WJCIURMXYVPSPN-QWRGUYRKSA-N 310.354 -0.001 30 20 DBED C=CCOCC(=O)N1CCCC[C@H]1CNC(=O)[C@@H]1CCC(=O)N1 1081957714 FKQIZDTZLGBDOZ-STQMWFEESA-N 323.393 -0.035 30 20 DBED CC#CCN1C[C@@H](NC(=O)[C@H]2CN(C(C)=O)CCO2)[C@H](OC)C1 1082351178 GXZDJZHIJJRLKG-RBSFLKMASA-N 323.393 -0.928 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)c2ccnc3c2CC(=O)N3)C1 1083604476 ZXIVAGOAASCEID-OLZOCXBDSA-N 314.345 -0.626 30 20 DBED N#CCN[C@@H]1CCCCCN(C(=O)c2nnc(O)nc2O)C1 1088342517 NSZUARWQTCULQL-SECBINFHSA-N 306.326 -0.219 30 20 DBED C#CCN1C[C@H]2[C@@H]3CC[C@@H](CN3C(=O)Cn3cnnn3)[C@H]2C1 1089769324 KPYZKCRBRSWOBY-DGAVXFQQSA-N 300.366 -0.525 30 20 DBED N#CCN1CC[C@H](NC(=O)Cn2cc(C3CC3)nn2)[C@H](O)C1 1090317937 DVIGBCSKTLOSSZ-WCQYABFASA-N 304.354 -0.770 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2nc(C)c(C)[nH]c2=O)[C@@H](O)C1 1090356801 YYBVAHXWLZVBJX-OLZOCXBDSA-N 318.377 -0.425 30 20 DBED Cn1nnc2c(C(=O)N[C@H]3CCN(CC#N)C[C@@H]3O)ccnc21 1090524334 YTQCBBDUDKNUDT-QWRGUYRKSA-N 315.337 -0.948 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2cccc(C(=O)NC)c2)[C@H](O)C1 1090822937 GBVLUXVZYRAVAB-HUUCEWRRSA-N 315.373 -0.156 30 20 DBED CCO[C@@H](C)C(=O)N[C@@H]1CN(c2nc(C)cc(C#N)n2)C[C@@H]1O 1091067126 PJOOMIABUMXALJ-UHTWSYAYSA-N 319.365 -0.253 30 20 DBED C[C@H](CC(N)=O)C(=O)N[C@H]1CCN(c2nccnc2C#N)[C@@H]1C 1092034195 VKRSXXOSQSDIHB-MXWKQRLJSA-N 316.365 -0.057 30 20 DBED N#Cc1cnc(N2CC[C@@H](NC(=O)C#CC3CC3)[C@@H](O)C2)cn1 1092152828 XFYOLZQJZUTFBW-KGLIPLIRSA-N 311.345 -0.183 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)c3cnn(C)n3)c3nccn32)C1 1092401787 HZPLDHAWRXLKIL-NSHDSACASA-N 311.349 -0.470 30 20 DBED CCN1CCO[C@H](C(=O)NCCNc2ccc(C#N)nn2)C1 1093654844 QTBWVCHJTJISSH-LBPRGKRZSA-N 304.354 -0.403 30 20 DBED N#Cc1cnc(NCCNC(=O)c2cnc3n2CCOC3)cn1 1094220190 KXIXYBQDHKXZRZ-UHFFFAOYSA-N 313.321 -0.083 30 20 DBED N#CCN1CC(n2cc(CNC(=O)[C@@H]3C[C@H]4CC[C@H]3O4)nn2)C1 1094281156 LZFHVOJVEARGKC-MGPQQGTHSA-N 316.365 -0.158 30 20 DBED C#CCCN1CC(n2cc(CNC(=O)[C@H]3CCC(=O)N3)nn2)C1 1094281234 OQKZKODYVQCVDL-CYBMUJFWSA-N 316.365 -0.947 30 20 DBED CN1CCO[C@H](C(=O)NCCCNc2cncc(C#N)n2)C1 1094349362 SASFNVDBJQXBCY-LBPRGKRZSA-N 304.354 -0.403 30 20 DBED CCN1CCN(C(=O)c2cc(C#N)c[nH]2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094618937 XBYZHMATUUPEHL-QWHCGFSZSA-N 322.390 -0.170 30 20 DBED C=CCN1CCN(C(=O)c2ncc[nH]2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094630828 FNPKZKNHDQTRHL-WDEREUQCSA-N 310.379 -0.481 30 20 DBED Cc1nc(C)c(C(=O)N[C@@H]2CC(=O)N(C3CN(CC#N)C3)C2)o1 1094716116 VYBVXPFGWGECJG-LLVKDONJSA-N 317.349 -0.170 30 20 DBED C=C(C)CN1CC(N2C[C@@H](NC(=O)Cn3ccnc3)CC2=O)C1 1094823151 SCKDAIOZQFZYPO-ZDUSSCGKSA-N 317.393 -0.140 30 20 DBED CCN(CCCNC(=O)[C@@H]1CNC(=O)N1)c1ccc(C#N)cn1 1095960098 QXKVWXQVWHDGNZ-LBPRGKRZSA-N 316.365 -0.033 30 20 DBED C[C@@H](CC(N)=O)C(=O)N[C@H]1CCN(c2cnc(C#N)cn2)C1 1096457150 FKCNXOOAQMHKEM-UWVGGRQHSA-N 302.338 -0.445 30 20 DBED N#Cc1ccc(N[C@H](CNC(=O)[C@H]2CNC(=O)N2)C2CC2)nn1 1096799751 AAQNPXROYZYVLL-GHMZBOCLSA-N 315.337 -0.664 30 20 DBED COCC(=O)N(C)CC(=O)NC[C@H](C)Nc1nccnc1C#N 1098329025 BEDYBCOQXXTKLP-JTQLQIEISA-N 320.353 -0.630 30 20 DBED C=CCNCc1cn([C@H]2CCN(C(=O)[C@@H](C)NC(C)=O)C2)nn1 1098608250 QYIUEXCFIOQOKZ-RISCZKNCSA-N 320.397 -0.148 30 20 DBED N#CCSCC(=O)N[C@@H]1CCN(CCn2cccn2)C[C@H]1O 1099687021 NXCOSWLSRKDOPA-CHWSQXEVSA-N 323.422 -0.309 30 20 DBED CC(C)C#CC(=O)N[C@H]1CCN(Cc2nc(O)n[nH]2)C[C@H]1O 1099821241 SEYWJVCXFYYBIK-WDEREUQCSA-N 307.354 -0.779 30 20 DBED Cc1nc(CN2CC[C@H](NC(=O)C#CC3CC3)[C@H](O)C2)n[nH]1 1099827318 VOAKNENHBSXSPM-QWHCGFSZSA-N 303.366 -0.422 30 20 DBED C=CCN1CC[C@H](NC(=O)CNC(=O)c2ccncc2)[C@@H](O)C1 1099841492 LKNYIEDXLIUQLG-KBPBESRZSA-N 318.377 -0.451 30 20 DBED C=CCCN1CC[C@@H](NC(=O)CCn2ncn(C)c2=O)[C@H](O)C1 1099934723 BLIZIQQQNTVRRC-CHWSQXEVSA-N 323.397 -0.901 30 20 DBED C=CCN1CC[C@@H](NC(=O)COC2CCN(C)CC2)[C@H](O)C1 1100056522 WACIGWDQRVPGEN-HUUCEWRRSA-N 311.426 -0.165 30 20 DBED CCCNC(=O)CCCC(=O)N[C@@H]1CCN(CC#N)C[C@@H]1O 1100079213 VZULUBFGXGMJFN-OLZOCXBDSA-N 310.398 -0.242 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)CS(=O)(=O)C(C)C)[C@@H](O)C1 1100116376 WVLNMGOCIHCCAS-OLZOCXBDSA-N 318.439 -0.063 30 20 DBED C=CCN1CC[C@H](NC(=O)CS(=O)(=O)CCCC)[C@H](O)C1 1100129958 VVORFVWGFWJPIT-QWHCGFSZSA-N 318.439 -0.061 30 20 DBED CC#CCNC1CC(CNC(=O)CN2CCCS2(=O)=O)C1 1100387353 ZTEFNWHWWMGAGR-UHFFFAOYSA-N 313.423 -0.470 30 20 DBED COCC#CCNC1CC(CNC(=O)[C@@H]2CN(C)C(=O)N2)C1 1100563307 CKWGUYVNYHNAAR-BPCQOVAHSA-N 308.382 -0.856 30 20 DBED CN1C[C@H](C(=O)N(C)CCNc2cncc(C#N)n2)CC1=O 1102004365 NOZFRTAAZUAFBU-SNVBAGLBSA-N 302.338 -0.303 30 20 DBED CC[C@H](CNC(=O)CN1CCOCC1)Nc1ccc(C#N)nn1 1103033946 DCMZJJFGNKIHAP-GFCCVEGCSA-N 318.381 -0.013 30 20 DBED CC[C@@H](CNC(=O)[C@H]1CCCNC1=O)N=c1cc[nH]c(C#N)n1 1103216979 MYMITFLYLGGSJG-QWRGUYRKSA-N 316.365 -0.397 30 20 DBED C[C@H](NC(N)=O)C(=O)N1CCC[C@@H]1CNc1nccnc1C#N 1103801023 NQLMJWMKQTYNMC-VHSXEESVSA-N 317.353 -0.192 30 20 DBED C[C@@H](CNc1cncc(C#N)n1)N(C)C(=O)CN1CCOCC1 1104527773 PADAEYSLUULNLZ-LBPRGKRZSA-N 318.381 -0.061 30 20 DBED COc1ccnc(NC[C@@H](O)CNC(=O)CSCC#N)n1 1105755036 ORDFYIBTWWMKHF-VIFPVBQESA-N 311.367 -0.369 30 20 DBED Cc1ccc(C(=O)NC[C@H](O)CNc2nccnc2C#N)nn1 1105826596 IEHXLOBRNLZHRF-SNVBAGLBSA-N 313.321 -0.351 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H](O)CNc2cnc(C#N)cn2)nc1 1105908442 PSFSPMCMTYSMHV-ZDUSSCGKSA-N 322.328 -0.073 30 20 DBED CC(=O)NCCOCCNC[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1C 1105946096 LDJANRCNUCDISK-UMVBOHGHSA-N 324.425 -0.017 30 20 DBED CO[C@@H](C(=O)N1C[C@@H](C)[C@H](CNCC(=O)NCC#N)C1)C(C)C 1106624924 AOSFRERLRSKCKV-UMVBOHGHSA-N 324.425 -0.019 30 20 DBED N#Cc1nc(=NC/C=C/CNC(=O)c2cc[n+]([O-])cc2)cc[nH]1 1107021356 RDCDVXGHBMKTBX-OWOJBTEDSA-N 310.317 -0.198 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)CNC(=O)C(C)(C)C 1107759382 DPGDKMIPLZQUEE-SNVBAGLBSA-N 318.381 -0.151 30 20 DBED C[C@H](NC(N)=O)C(=O)N[C@H](C)CN(C)c1cnc(C#N)cn1 1108915883 URBJJNXWHXYLBC-BDAKNGLRSA-N 305.342 -0.654 30 20 DBED CNC(=O)NCC(=O)N[C@@H]1[C@H]2C[C@H]1N(c1ccc(C#N)cn1)C2 1109743441 RJCWNVHXUSUEGD-MISXGVKJSA-N 314.349 -0.424 30 20 DBED C#CCO[C@H](C)C(=O)N(C)[C@H]1CN(c2ncccn2)C[C@@H]1O 1111190924 YOVLGHIOCZQIHQ-AGIUHOORSA-N 304.350 -0.477 30 20 DBED COC(=O)NCC(=O)N1C[C@@H](C)[C@@H](N=c2cc[nH]c(C#N)n2)C1 1112297520 CIOXEIJAXBCTFY-ZJUUUORDSA-N 318.337 -0.615 30 20 DBED CNC(=O)CC(=O)N1C[C@H](C)[C@@H](N=c2cc[nH]cc2C#N)C1 1112309176 VGLLFMGIYQJQEF-GWCFXTLKSA-N 301.350 -0.230 30 20 DBED C[C@H](C#N)C(=O)NC1(CO)CCN(c2ccnc(C#N)n2)CC1 1112657041 MZVQFIMGUIMARJ-LLVKDONJSA-N 314.349 -0.045 30 20 DBED COCC(=O)NC[C@H]1CN(c2ccc(C#N)c(C)n2)C[C@H]1O 1112691472 FTYYRDRKOOSLGZ-QWHCGFSZSA-N 304.350 -0.179 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)Cc2ccnn2C)CC1 1112799680 SMHGOZFXYFPYFX-ZDUSSCGKSA-N 317.393 -0.755 30 20 DBED C=CCOCCN1CCN(C(=O)CN2CCCNC2=O)CC1 1113065025 YFSXBXJVPVQRBZ-UHFFFAOYSA-N 310.398 -0.252 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)C(C)(C)NC(C)=O)CC1 1113434634 SFBYRUFRQSQMIC-LBPRGKRZSA-N 322.409 -0.817 30 20 DBED COCc1nc(C(=O)N2CCN(CC(=O)NCC#N)CC2)co1 1113474654 ZWQLNBGLUYBQPR-UHFFFAOYSA-N 321.337 -0.781 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)CCN2CCCCC2)CC1 1113677596 CTWLEPLXAMNNSQ-UHFFFAOYSA-N 320.437 -0.244 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)c3cnn(C)c3)[C@H]2C1 1113841807 ICTOCUBLTCHSCO-SCUASFONSA-N 315.377 -0.782 30 20 DBED C[C@H](CNC(=O)[C@]1(C)CCC(=O)N1)N(C)c1ccnc(C#N)n1 1113866852 IUDPZZDISBRJJT-BMIGLBTASA-N 316.365 -0.042 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)CCn3cncn3)[C@H]2C1 1113870298 FNOQOICDFSDTOQ-RYUDHWBXSA-N 318.381 -0.983 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)c3ccon3)[C@H]2C1 1113950936 QISMBXHXXGULID-DCAQKATOSA-N 302.334 -0.528 30 20 DBED COCCCCC(=O)NC1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]12 1114013489 XRGAPQLVGSHKFX-VXGBXAGGSA-N 308.382 -0.511 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)c3cnn(CC)c3)[C@@H]2C1 1114059008 YSNGVTUKDZDXTD-CHWSQXEVSA-N 317.393 -0.135 30 20 DBED CC(C)C#CC(=O)NC1[C@@H]2CN([C@H]3CCC(=O)NC3=O)C[C@@H]12 1114247954 ROKNQBGHTKXPDX-UTUOFQBUSA-N 303.362 -0.503 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)C[C@@H]3CCC(=O)NC3)[C@H]2C1 1114392448 CNQQGEAMKIPJLQ-SZOQZIPDSA-N 319.405 -0.401 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3cnc(C)n3C)[C@H]2C1 1114730702 HDYMXGFMWYJXEW-JYAVWHMHSA-N 315.377 -0.862 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)C(=O)N3CC[C@@H](C)C3)[C@@H]2C1 1115088130 FZXDRCHGAIBUTM-MGPQQGTHSA-N 319.405 -0.449 30 20 DBED CNC(=O)NCCC(=O)N(C)C[C@@H](C)Nc1cnc(C#N)cn1 1115704783 XMMUMBZYHFYNDM-SNVBAGLBSA-N 319.369 -0.074 30 20 DBED Cc1nc2n(n1)C[C@@H](NC(=O)C(=O)NCC1(CC#N)CC1)CC2 1117248662 KMPVCEJMXRLJCK-NSHDSACASA-N 316.365 -0.172 30 20 DBED C[C@@]1(O)CCCN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)CC1 1118186312 HKWRHRAUXKYUTP-CABCVRRESA-N 309.366 -0.373 30 20 DBED C=CCCOCC(=O)N1CCS(=O)(=O)C[C@H]1C(=O)OC 1121236861 DBEVLIHZCPSJOY-JTQLQIEISA-N 305.352 -0.622 30 20 DBED CC[C@H](C)OCC(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1 1121316949 FPLGLRYPQUAABZ-QWRGUYRKSA-N 307.354 -0.526 30 20 DBED CN(C)CC1(C(=O)NC[C@H](CO)Nc2ccc(C#N)nn2)CC1 1122508868 UVQFYMVJQUBIBD-GFCCVEGCSA-N 318.381 -0.421 30 20 DBED CN(C[C@H](O)CNc1cnc(C#N)cn1)C(=O)[C@@H]1[C@H]2COC[C@H]21 1124653895 HDHLBNLVILFZNU-NMKXLXIOSA-N 317.349 -0.528 30 20 DBED COC(=O)NCC(=O)N(C)C1CC(N=c2cc[nH]c(C#N)n2)C1 1126877000 XODVCSFQJVAIRI-UHFFFAOYSA-N 318.337 -0.473 30 20 DBED N#CCNC(=O)CNCCNC(=O)C[C@H]1Cc2ccccc2O1 1128037268 DORTUJOHCOBHPY-CYBMUJFWSA-N 316.361 -0.274 30 20 DBED C#CCNC(=O)CN1C[C@H](n2ccnn2)[C@H](NC(=O)C(C)C)C1 1128701353 YPOTYTDTYPXWIR-OLZOCXBDSA-N 318.381 -0.975 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@@H]1CCN(CC(C)C)C1 1129327787 IXOZGENPXUOETA-CQSZACIVSA-N 308.426 -0.581 30 20 DBED C=CCCN[C@@H]1CN(C(=O)c2[nH]nnc2C)C[C@@H]1n1ccnn1 1129954343 JJNGZBQTIKLUDZ-NEPJUHHUSA-N 316.369 -0.064 30 20 DBED C=CCNC(=O)CNCCNC(=O)C(C)(C)n1cnc(C)c1 1130162574 BJFYEKCENAQTPJ-UHFFFAOYSA-N 307.398 -0.065 30 20 DBED CC(=O)N[C@H](C)C(=O)NCc1c[nH]nc1[C@@H]1CCN(CC#N)C1 1130342135 AZSIQFPBISWXEI-ZYHUDNBSSA-N 318.381 -0.137 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)c2ncc[nH]2)CC[C@@H]1C 1132805505 SZHPJFANUHKCPZ-QWHCGFSZSA-N 317.393 -0.153 30 20 DBED C#CCNC(=O)CNCCNC(=O)Cc1ncccc1OC 1132906529 NQNNLGSERMBLSY-UHFFFAOYSA-N 304.350 -0.912 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCCNCCNC(=O)NC(C)C 1134052937 GPXFHPJNOJLJGK-OLZOCXBDSA-N 312.414 -0.009 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)C1CN(C(C)=O)C1 1134240236 OEHHUEWPBPWATR-NEPJUHHUSA-N 322.409 -0.913 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)c1cnc(O)n1C)NCC(=O)NCC#N 1135188954 RPARHHWICSZTHC-VHSXEESVSA-N 322.369 -0.748 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)CCCS(C)(=O)=O 1135209526 QIBPLSXWZAXLHF-NSHDSACASA-N 319.427 -0.792 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1cc2ncccn2n1 1135587302 UEPLNJYBVSPFCP-LLVKDONJSA-N 314.349 -0.813 30 20 DBED C#CCNC(=O)CN1CCCO[C@@H](CNC(=O)[C@@H](C)CC)C1 1149205514 BOKMWCPQEHTWLV-KBPBESRZSA-N 309.410 -0.011 30 20 DBED C=CCN1CCCO[C@@H](CNC(=O)CN(C)C(=O)COC)C1 1149804575 RGYYIEWTWXWSTB-ZDUSSCGKSA-N 313.398 -0.516 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)CCn1cncn1 1154706593 NMMCGFURDHYBJM-GFCCVEGCSA-N 308.386 -0.545 30 20 DBED CCN(CC#N)[C@H](C)CNC(=O)CN(C)S(=O)(=O)CC 1156105430 NKJNLLBMBFLIAP-LLVKDONJSA-N 304.416 -0.382 30 20 DBED C#CCN(C)C[C@H]1CCCCN1C(=O)CNS(=O)(=O)CC 1158035827 MGAITRXTFYYKCP-CYBMUJFWSA-N 315.439 -0.128 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)CN(C)C(=O)C(C)C 1159190019 QMOZCQSFQJAJII-CYBMUJFWSA-N 324.425 -0.665 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)c1cc2n(n1)CCO2 1160016156 QBFPMSACYPULQQ-NSHDSACASA-N 321.381 -0.324 30 20 DBED N#CCNCC1(CCNC(=O)CN2CCC(=O)NC2=O)CC1 1167656451 ITZFYEINJWMPAE-UHFFFAOYSA-N 307.354 -0.672 30 20 DBED C#CCNC(=O)CNCCCNC(=O)CCc1cnccn1 1170246525 WSDZBJYADLRZIC-UHFFFAOYSA-N 303.366 -0.746 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)CCc1cnccn1 1170259343 QHUKCRGNRJFOHW-ZDUSSCGKSA-N 317.393 -0.357 30 20 DBED COc1ccccc1CC(=O)NCCCNCC(=O)NCC#N 1175456450 BXBULIFOSIBMOQ-UHFFFAOYSA-N 318.377 -0.027 30 20 DBED COCC#CCN[C@H]1CCN(C(=O)Cn2cnnc2O)[C@H]1C 1178512817 RQYZOZAOBVKPQK-RYUDHWBXSA-N 307.354 -0.788 30 20 DBED C#CCNC(=O)CNCCCCCCNC(=O)c1cnn[nH]1 1178927757 QDJVNTLPAVKXEK-UHFFFAOYSA-N 306.370 -0.566 30 20 DBED C=CCOCC(=O)N1CC[C@@H](NCCOCCNC(C)=O)C1 1181617910 HYPWHDUQQOVSQG-CQSZACIVSA-N 313.398 -0.468 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2n[nH]c(C)c2C)C1 1181760119 GQJSCLKUESMPDS-CHWSQXEVSA-N 317.393 -0.031 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)CCc2nc[nH]n2)C1 1181917053 LPHOBYWNEBXTPL-NWDGAFQWSA-N 320.397 -0.382 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)Cc2cncn2C)C1 1187092198 QVSUPGCTZOJIPN-CHWSQXEVSA-N 317.393 -0.709 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)CN(C)CCC)C1 1187329838 YJLQMMNSHFKVEI-ZIAGYGMSSA-N 308.426 -0.343 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)c2cnn3cc[nH]c23)C1 1187385519 YURDTQWAMCFRCI-LLVKDONJSA-N 316.365 -0.231 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)[C@@H](C2CC2)N(C)C)C1 1190655137 NTJPKGATZNLLBP-GDBMZVCRSA-N 320.437 -0.391 30 20 DBED C=CCCC(=O)N[C@@H]1CN(Cc2nnnn2C(C)C)C[C@H]1O 1191622496 OQUCQAULYXIQGH-VXGBXAGGSA-N 308.386 -0.119 30 20 DBED C=CCOCC(=O)N[C@@H]1CN([C@H](C)C(=O)NC2CC2)C[C@H]1O 1191756768 XTGWHQHNKCKADP-RAIGVLPGSA-N 311.382 -0.983 30 20 DBED CCCn1ncnc1CN1C[C@@H](O)[C@H](NC(=O)[C@H](C)C#N)C1 1191855031 UYSSBZYKPHYSAF-IJLUTSLNSA-N 306.370 -0.491 30 20 DBED CC(C)NC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 1192038971 ZVLGKXLJKYFHMS-CHWSQXEVSA-N 319.365 -0.814 30 20 DBED CCCC[C@@H](C)C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1O 1192591915 YATLFETXIKUDOU-JHJVBQTASA-N 310.398 -0.386 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@@H]1CCN(C(=O)c2cnn(C)n2)C1 1192844954 DAXDANKKXZBARW-VXGBXAGGSA-N 318.381 -0.901 30 20 DBED C=CCCOCC(=O)N1CC[C@@H](N(C)[C@H]2CCC(=O)NC2=O)C1 1194387664 CVSBEMHWPMTKAM-OLZOCXBDSA-N 323.393 -0.083 30 20 DBED COCC#CCN1CCCN(C(=O)c2cc(=O)n(C)o2)CC1 1195620000 HRHFIBZBGCDNKD-UHFFFAOYSA-N 307.350 -0.224 30 20 DBED C=C[C@](C)(CC)C(=O)N[C@@H]1CN(CCOCCO)C[C@H]1O 1195923923 PLDBHBVBXDSPGK-UMVBOHGHSA-N 300.399 -0.241 30 20 DBED CC#CCN[C@@H]1C[C@H](NC(=O)CN2CCNC(=O)C2)C12CCC2 1203256918 KIKHHLFHTOJPJC-KGLIPLIRSA-N 318.421 -0.542 30 20 DBED Cn1cnnc1COCC(=O)N1C[C@H]2CC[C@H]1[C@@H](NCC#N)C2 1204845388 UPEGLSUFUHEBDX-AVGNSLFASA-N 318.381 -0.176 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)C(C)(C)C(N)=O)C1 1208373307 HXDOJUFZEVNBAC-VXGBXAGGSA-N 324.425 -0.231 30 20 DBED C=CCn1cc(C(=O)N2CCC[C@H](NCC(=O)NCC)C2)nn1 1210010806 QXZOEBHGIACIMR-LBPRGKRZSA-N 320.397 -0.206 30 20 DBED COCC#CCN[C@@H]1CCCN(C(=O)C[C@H]2CCC(=O)N2)C1 1210080689 SGBLMAHWIPMHFR-ZIAGYGMSSA-N 307.394 -0.115 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)C2[C@H]3CCC[C@H]23)[C@H](OC)C1 1212081885 YRMWIVRQSUSJFI-IGQOVBAYSA-N 319.405 -0.403 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN([C@@H](CC)C(N)=O)C[C@H]1OC 1212262323 LHJUGOJAGSJORH-FRRDWIJNSA-N 311.382 -0.894 30 20 DBED C#CCOCCC(=O)N1C[C@@H](NCc2nc(=O)n(C)[nH]2)[C@H](C)C1 1214608709 GTBFPKHSJJHZDX-VXGBXAGGSA-N 321.381 -0.915 30 20 DBED C=C(Cl)CN[C@@H]1CN(C(=O)CS(=O)(=O)NC)C[C@H]1C 1216770304 GSUCQBQGLCVZEM-PSASIEDQSA-N 309.819 -0.275 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CNC(=O)N1CCCC1 1217894498 FHQIAUDPRHBMEP-QWHCGFSZSA-N 321.381 -0.773 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)Cc2ccco2)C1 1220585901 CATYQAALPWURCU-BNOWGMLFSA-N 319.361 -0.879 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)CNC(=O)c2ccccc2)C1 1220834526 DKXWQVHLYDCHSW-KGLIPLIRSA-N 301.346 -0.789 30 20 DBED CNC(=O)NCCC(=O)N1C[C@H]2CCN(CC#CCOC)C[C@H]21 1221525078 QTEYMJLKEHCHKF-ZIAGYGMSSA-N 322.409 -0.512 30 20 DBED CC#CCN1CC[C@@H]2CN(C(=O)[C@@H](C)NS(C)(=O)=O)[C@@H]2C1 1221834281 RSHGODCYWIBOMF-JHJVBQTASA-N 313.423 -0.520 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)[C@@H]2C[C@@H]2C(=O)OC)CC1 1226471538 PRJSUHDEBXPMMW-OLZOCXBDSA-N 321.377 -0.875 30 20 DBED C#CCCN1CCC(NC(=O)CCCS(N)(=O)=O)CC1 1228935641 WBIMGHUBGVQGQQ-UHFFFAOYSA-N 301.412 -0.341 30 20 DBED C=CCO[C@@H](C)C(=O)NC1CCN([C@H]2CCC(=O)NC2=O)CC1 1230407808 ZESGQZIBHOHVAI-AAEUAGOBSA-N 323.393 -0.037 30 20 DBED CN(C[C@H]1CCN1CC(=O)NCC#N)C(=O)c1cnccn1 1230637461 HQAXQZRWRXHEFY-LLVKDONJSA-N 302.338 -0.737 30 20 DBED C=CC1CCN(C(=O)C(=O)N[C@H]2CCC(=O)N(C)C2=O)CC1 1261450355 YRVPVUQFIQVAOR-NSHDSACASA-N 307.350 -0.325 30 20 DBED C=CCNC(=O)CNC[C@H]1CCCN1C(=O)c1cnn(CC)n1 1319065452 DNLNDFPTWWSGIX-GFCCVEGCSA-N 320.397 -0.206 30 20 DBED C#CCNC(=O)C1CCN(C(=O)CCN2CCCC2=O)CC1 1321326123 SWINLZWYTVVKQY-UHFFFAOYSA-N 305.378 -0.013 30 20 DBED O=C(CN1CSCC1=O)NCCN/C(O)=C1/N=CC=CC1=O 1321725479 KBWUXZIVROBYOU-SEYXRHQNSA-N 324.362 -0.838 30 20 DBED C#C[C@@H](NC(=O)C(=O)NCc1nc(C2CC2)no1)[C@@H]1CCCO1 1321891635 XQEUSCUJHGMQQX-MNOVXSKESA-N 318.333 -0.140 30 20 DBED C#CCOCCNC(=O)C(=O)N[C@@H](C)COCC(F)(F)F 1322964817 GNLHEUHLRLMWHF-VIFPVBQESA-N 310.272 -0.164 30 20 DBED CSC[C@@](C)(C#N)NC(=O)c1cn(CC(=O)N(C)C)nn1 1323538388 QSGQNOASRIBHTB-GFCCVEGCSA-N 310.383 -0.259 30 20 DBED CC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)NCC(=O)NCC#N)[C@H]2C1 1324026115 YJCZEDBBXAWWFP-RWMBFGLXSA-N 321.381 -0.428 30 20 DBED C=CCn1cc(CNC(=O)NCc2nnnn2C2CC2)nn1 1328045924 JZDFKSRLHZENPY-UHFFFAOYSA-N 303.330 -0.215 30 20 DBED C#CCCS(=O)(=O)N1CCC(n2cc(C(N)=O)nn2)CC1 1329248102 HODZYRGSLNCMMV-UHFFFAOYSA-N 311.367 -0.633 30 20 DBED CN(Cc1ccon1)C(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1329436533 HXNFFFUJEQUGCQ-ZDUSSCGKSA-N 317.349 -0.168 30 20 DBED C#CC[C@@H](CCOC)NC(=O)NCCCN(C)S(C)(=O)=O 1331273113 UXPNBLTXSHNQSY-LBPRGKRZSA-N 319.427 -0.005 30 20 DBED COC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)CSCC#N 1337496802 VQYRKGAXZXGVHZ-QMMMGPOBSA-N 306.365 -0.958 30 20 DBED C#CCN1CCC[C@H](NC(=O)C(=O)N=c2nc[nH]n2C(C)C)C1 1337893334 HQJNCRKULAWBBV-LBPRGKRZSA-N 318.381 -0.567 30 20 DBED C=C(C)Cn1c(CCO)nnc1N1CCN(C(=O)COC)CC1 1342649460 LQNJFFFKKOQJCR-UHFFFAOYSA-N 323.397 -0.316 30 20 DBED O=C(C[C@H]1CSCCN1)NCCN/C(O)=C1/N=CC=CC1=O 1346029874 UWTJCVLRCMIGPK-DZOVYVGFSA-N 324.406 -0.276 30 20 DBED CON(C)CCNC(=O)C(=O)Nc1cc(C)nn1CCC#N 1346867520 IGOVZYBDZWDXMM-UHFFFAOYSA-N 308.342 -0.347 30 20 DBED N#C[C@@]1(F)CCN(C(=O)C(=O)N2CC[C@@H](N3CCOC3=O)C2)C1 1350238340 DNWCAVIIKILUFZ-YGRLFVJLSA-N 324.312 -0.496 30 20 DBED COC(=O)[C@@H]1C[C@@H](O)CN(S(=O)(=O)CC(C)(C)C#N)C1 1364016531 VPTRPAMEKWWANJ-NXEZZACHSA-N 304.368 -0.278 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)NC(C)(C)CNC(N)=O 1364990288 MLSRCFJIWBDWAT-SECBINFHSA-N 305.404 -0.251 30 20 DBED CCCN(CCNC(=O)[C@H](C)C#N)C(=O)[C@H]1CN(C)CCO1 1374164901 ACEWPFLAOOYYGK-CHWSQXEVSA-N 310.398 -0.169 30 20 DBED C[C@H](C#N)C(=O)NC[C@@]1(C)CCN(C(=O)c2cn(C)nn2)C1 1379855759 XAGUAIHCHQRIHV-QMTHXVAHSA-N 304.354 -0.057 30 20 DBED CCN(C(=O)CCn1cnnn1)[C@@H]1CCN(C(=O)[C@@H](C)C#N)C1 1387991837 JZMGYNISTUSMLV-NWDGAFQWSA-N 319.369 -0.328 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCN(C)CC(=O)NC[C@@H]1CCCO1 1392266439 SMDADTMFQBLUPN-STQMWFEESA-N 310.398 -0.169 30 20 DBED C[C@H](CNC(=O)CN1CCCC1=O)NC(=O)c1ccc(C#N)[nH]1 1392289758 XVHJZNOFGIHACH-SNVBAGLBSA-N 317.349 -0.257 30 20 DBED C=C(Cl)CNC[C@H](O)CNC(=O)c1cncc(OC)n1 1401567241 VBGPMLLDSARQMX-VIFPVBQESA-N 300.746 -0.082 30 20 DBED C[C@@H](C#N)C(=O)NCCN1CCN(C(=O)Cc2cc[nH]n2)CC1 1414757268 PBZNQNOHGMPYQJ-LBPRGKRZSA-N 318.381 -0.628 30 20 DBED Cc1nc(CC(=O)NC[C@H](NC(=O)[C@H](C)C#N)C2CC2)n[nH]1 1447135448 NYXQBTJRXBBAPS-KCJUWKMLSA-N 304.354 -0.174 30 20 DBED Cc1n[nH]c(C)c1CC(=O)N(C)C[C@H](O)CNC(=O)[C@H](C)C#N 1451855391 VJLLMNJPFBVPEB-BXKDBHETSA-N 321.381 -0.336 30 20 DBED CCc1c(C(=O)NC[C@@H](O)CNC(=O)[C@@H](C)C#N)cnn1C 1452394331 NIPRLEANBGKZQY-UWVGGRQHSA-N 307.354 -0.651 30 20 DBED COC[C@H](OC)C(=O)NCCN(C)C(=O)c1ccc(C#N)[nH]1 1455448138 PCKVVNNCZMPMGG-LBPRGKRZSA-N 308.338 -0.264 30 20 DBED CC[C@@H](CN1CCCC1)NC(=O)Cn1cc(C#N)c(O)nc1=O 1465068016 GNKQKQNDMGYLAV-LBPRGKRZSA-N 319.365 -0.189 30 20 DBED C[C@@H]1CN(CCNc2[nH]c(=O)n(C)c(=O)c2C#N)[C@H](C)CO1 1472828144 BLLOJGMUEGWEEG-NXEZZACHSA-N 307.354 -0.534 30 20 DBED C=C(Cl)CN1CC(O)(CNC(=O)CN(C)C(=O)C2CC2)C1 1484276399 SECYWVMZYCPLTN-UHFFFAOYSA-N 315.801 -0.230 30 20 DBED C=CCn1c(N(C)Cc2cn(C)nn2)nnc1[C@@]1(O)CCOC1 1520627986 PLBFDJTVSFWPIN-CQSZACIVSA-N 319.369 -0.163 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)CNC(=O)O)C1 1573311275 LDBZREBUUGLKFL-MNOVXSKESA-N 311.338 -0.743 30 20 DBED C=CCOC[C@@H](NC(=O)c1cc(C(=O)O)nn1C)C(=O)OC 1573368202 BXYHGRZJTMDRSJ-SECBINFHSA-N 311.294 -0.408 30 20 DBED C#CCCN[C@@H]1CCN(C(=O)[C@@H]2CCCN2Cc2cnn[nH]2)C1 1574894988 LEAOPHJEUOVDQC-HIFRSBDPSA-N 316.409 -0.017 30 20 DBED CON=CC(=O)Nc1cccc(S(=O)(=O)NCCN)c1 1579110004 SERNLNNBPUYFEA-UHFFFAOYSA-N 300.340 -0.506 30 20 DBED C#C[C@H](NC(=O)C(=O)NCC(C)(C)CC(=O)O)[C@@H]1CCCO1 1588370492 FIPBNBLBTYCRCY-QWRGUYRKSA-N 310.350 -0.100 30 20 DBED C=CC[C@H](OC(=O)CN1CCC[C@@H](C(=O)OC)C1=O)C(=O)O 1588753784 NHNVURROHOMHIV-ZJUUUORDSA-N 313.306 -0.030 30 20 DBED C=CCCC(=O)NCCN1CCN(C(=O)[C@H]2C[C@H]2C(=O)O)CC1 1588776774 GERISOUVZPLVPL-QWHCGFSZSA-N 323.393 -0.066 30 20 DBED CC(C)[C@@](C)(C#N)NC(=O)CN1CCN(C(=O)C(=O)O)CC1 1588811787 AYCXFOMXYNCULQ-CQSZACIVSA-N 310.354 -0.730 30 20 DBED C=CCCn1cc(C(=O)N[C@H](Cn2ccnc2)C(=O)O)nn1 1588817346 IKGBWHMBUIYVPS-LLVKDONJSA-N 304.310 -0.066 30 20 DBED Cn1cc([C@H](O)CNc2cnc(-c3nn[nH]n3)c(C#N)n2)cn1 1592567679 MRLFXMNCNGOCBF-SECBINFHSA-N 312.297 -0.593 30 20 DBED N#Cc1nc(NC(=O)C2(CO)CCOCC2)[nH]c1-c1nn[nH]n1 1592683663 VORZKIOTKWESDV-UHFFFAOYSA-N 318.297 -0.811 30 20 DBED N#Cc1ccc([C@H](O)CN2CCS(=O)(=O)C[C@@H]2C(=O)O)cc1 1594618701 XBPCVHJIQJIQGG-CHWSQXEVSA-N 324.358 -0.225 30 20 DBED CO[C@]1(C(=O)O)CCN(S(=O)(=O)N(C)[C@H](C)CC#N)C1 1599078279 GJWCXGHIBGSROX-MWLCHTKSSA-N 305.356 -0.359 30 20 DBED C=CCCS(=O)(=O)N[C@H]1CCCCN(CC(=O)O)C1=O 1602722002 NYSZTNZCLDYPHB-JTQLQIEISA-N 304.368 -0.052 30 20 DBED C#CCN(C)CCCNC(=O)N1CCC([C@@H](O)C(=O)O)CC1 1609137240 HFRRMIBPFWOLMU-CYBMUJFWSA-N 311.382 -0.191 30 20 DBED N#CC1(C(=O)NCCN2CCC3(C2)OCCO3)CCOCC1 1646219491 DIMMSWHYIGYOHN-UHFFFAOYSA-N 309.366 -0.128 30 20 DBED Cc1cc(NC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)nn1CCC#N 1647290473 DGTQDJTWWCXGLE-NQBHXWOUSA-N 306.322 -0.544 30 20 DBED Cn1ccnc1[C@H](NC(=O)Cn1cnc(C#N)n1)C(C)(C)CO 1649901560 OLBITRVBHFZIBP-LBPRGKRZSA-N 317.353 -0.241 30 20 DBED Cc1nccn1CCCN(C)c1[nH]c(=O)n(C)c(=O)c1C#N 1650227700 LJBZKPZESUEACD-UHFFFAOYSA-N 302.338 -0.023 30 20 DBED C#CCNC(=O)CN[C@@H](C)CCNC(=O)CNC(=O)C(C)(C)C 1725010721 PFNBKKKESPQALB-LBPRGKRZSA-N 324.425 -0.618 30 20 DBED CN1C[C@H](C(=O)NCCCN2CCN(CC#N)CC2)CC1=O 1752343002 AJKHZCBGEBLGHH-CYBMUJFWSA-N 307.398 -0.888 30 20 DBED CC(C)C#CC(=O)NC[C@@H](N[C@@H](C)C(=O)NC(N)=O)C1CC1 1752464530 SOKJUGDYUXWICJ-CMPLNLGQSA-N 308.382 -0.286 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@@H](NC(=O)c2cn(C)nc2Cl)C1 1752772406 DFTWFSCKYAPMFF-AOOOYVTPSA-N 323.784 -0.327 30 20 DBED C=CCN1CC[C@@H](N(C)CCNC(=O)Cc2nc[nH]n2)C1=O 1753070028 STSQQHWCMYSYDH-LLVKDONJSA-N 306.370 -0.818 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC(NC(=O)c2cnc(Cl)n2C)C1 1753382817 KIPQVVXWVBYILD-SECBINFHSA-N 323.784 -0.375 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCN1C 1753418367 ASUAKYVAPDHBKT-IHRRRGAJSA-N 304.394 -0.885 30 20 DBED N#CCNC(=O)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCOCC1 1753420267 QVEVTUNTCVCNBY-IHRRRGAJSA-N 320.393 -0.272 30 20 DBED Cc1ccncc1C(=O)NC[C@@H](C)CNCC(=O)NCC#N 1753608571 MYFOQCGZNSVZKM-NSHDSACASA-N 303.366 -0.015 30 20 DBED Cc1cc(=O)c(C(=O)N(C)[C@@H](C)CNCC(=O)NCC#N)c[nH]1 1753720238 WEAGYMJJWLJTNR-NSHDSACASA-N 319.365 -0.627 30 20 DBED C=CCn1cc(C(=O)N[C@@H](C)CN[C@@H](C)C(=O)N(C)C)nn1 1754286562 PSSWCUMPUCNBKR-QWRGUYRKSA-N 308.386 -0.351 30 20 DBED C#CCCN1CC[C@](O)(CNC(=O)[C@H](CC(C)C)C(N)=O)C1 1754762472 QQAGDHPFONUHOH-CJNGLKHVSA-N 309.410 -0.290 30 20 DBED C#CCNCC[C@@H]1CCN(C(=O)[C@@H](CCC)S(N)(=O)=O)C1 1754922936 CEIULLGMQBBOJK-CHWSQXEVSA-N 315.439 -0.095 30 20 DBED C#CCNC(=O)CN1CCOC[C@H]1CNC(=O)[C@@]1(C)C=CCC1 1754970131 NJAZWDGFTPGKJS-PBHICJAKSA-N 319.405 -0.091 30 20 DBED C[C@H](NCC(=O)NCC#N)[C@H](C)NC(=O)c1ccc(F)nc1 1755233113 YMJRSGWKGATHNI-UWVGGRQHSA-N 307.329 -0.043 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(CNC(=O)C3(COC)CC3)[C@H]2C1 1755426306 PXSVSHQRSMUZSD-ZIAGYGMSSA-N 319.405 -0.544 30 20 DBED C=CCCN1C[C@@H]2C(CNC(=O)CNS(=O)(=O)CC)[C@H]2C1 1755426670 YSTXMJVNIFQDAJ-CHWSQXEVSA-N 315.439 -0.204 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](CO)NCCn1cccn1 1755641748 HQLRXMMOWXZKAD-KKUMJFAQSA-N 322.409 -0.069 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H](O)CNCc1cnn(C)n1 1755788011 JQPPVDIGKVKRMZ-MCIONIFRSA-N 323.397 -0.685 30 20 DBED C#CCCCC(=O)N1CCO[C@]2(CCN(C(=O)CC(N)=O)C2)C1 1756166995 CRJDWFHNMSZHLW-INIZCTEOSA-N 321.377 -0.505 30 20 DBED C[C@@H](C#N)C(=O)NCCCOCCNC(=O)[C@H]1CCC(=O)NC1 1756399128 WIJRJXURMNOCIS-RYUDHWBXSA-N 324.381 -0.689 30 20 DBED Cc1cc(C(=O)N[C@@H](CO)CNC(=O)CSCC#N)cnn1 1756503626 LHHKSOCREJQAHU-LLVKDONJSA-N 323.378 -0.751 30 20 DBED CC(=O)C[C@@H](C)C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1846329612 YQFXPGFOBLGHTH-LLVKDONJSA-N 320.345 -0.107 30 20 DBED C[C@H](CO[C@H]1CCOC1)Nc1c(C#N)c(=O)n(C)c(=O)n1C 133844382 QWSARUSUUCJDNS-ZJUUUORDSA-N 308.338 -0.438 30 20 DBED C[C@@H](C(=O)N(CCC#N)CCN1CCOCC1)n1cncn1 172167378 PAODCYLAJPIHOJ-ZDUSSCGKSA-N 306.370 -0.086 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCCCC2=O)c1=O 180496720 YSGSZKNBWMLKMH-UHFFFAOYSA-N 320.349 -0.486 30 20 DBED C[C@@H]1CN(C[C@@H](O)COc2ccc(C#N)cc2)C[C@H](C(N)=O)O1 268402247 AZVGRDHIJGSAJP-UXIGCNINSA-N 319.361 -0.127 30 20 DBED C#CCOc1cccc(NC(=O)C(=O)N2CC(C(=O)NC)C2)c1 274365787 CCQNMPYXERFLEC-UHFFFAOYSA-N 315.329 -0.159 30 20 DBED CN(CC(C)(CO)CO)C(=O)CNC(=O)c1ccc(C#N)cc1 274486526 CIWWLMPQYQYILD-UHFFFAOYSA-N 319.361 -0.263 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCCN(C)C2CC2)C1=O 285220350 XLWAOKRLVRHUPY-CYBMUJFWSA-N 322.409 -0.558 30 20 DBED C[C@H](C(=O)NCCn1cnc(C#N)n1)n1nnnc1C(C)(C)C 286868136 NFTZZJGUJIAKPM-SECBINFHSA-N 317.357 -0.189 30 20 DBED C=CCCN(C)C(=O)C(=O)N[C@H](CC)C(=O)N1CCOCC1 287975265 BHWKNKAENAGFQB-GFCCVEGCSA-N 311.382 -0.226 30 20 DBED C#CCNC(=O)CCN1CCN(CC(=O)N[C@@H](C)CC)CC1 293636231 XFONWWHYFRSTRD-AWEZNQCLSA-N 308.426 -0.342 30 20 DBED CN1CC(=O)N(C/C(O)=N/CCN2C(=O)CCCC2=O)C1=O 329654966 LXYFXNAOXGDWJE-UHFFFAOYSA-N 310.310 -0.624 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)NCc1nnnn1CC1CC1 336943634 LPMSRPUHRXQVIH-VIFPVBQESA-N 313.387 -0.491 30 20 DBED C[C@@H](CO)N1CCCN(S(=O)(=O)N(C)[C@@H](C)CC#N)CC1 337770911 OEHXZCYIAWQZSP-STQMWFEESA-N 318.443 -0.146 30 20 DBED CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNS(=O)(=O)CCCC#N 340886980 OAPRUJQMZSJZPC-GHMZBOCLSA-N 323.440 -0.073 30 20 DBED COC(=O)[C@@H]1CNC(=O)CN1C(=O)Cc1ccc(C#N)cc1 344898482 LQDSEMBFMWWDEK-LBPRGKRZSA-N 301.302 -0.399 30 20 DBED N#Cc1ncn(CCNC(=O)N2C[C@H]3[C@H]4CC[C@@H](O4)[C@H]3C2)n1 347630073 HFCSUKXWJRZKCP-WRWGMCAJSA-N 302.338 -0.031 30 20 DBED C=CCOC[C@@H]1NC(=O)N([C@@H]2CCCS(=O)(=O)C2)C1=O 348602233 MMYJIDAGWGZJOM-ZJUUUORDSA-N 302.352 -0.313 30 20 DBED CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)NCC#N)cc1 352527892 GMFHSCNBKYHNMJ-UHFFFAOYSA-N 310.335 -0.437 30 20 DBED C=C(C)COCCNC(=O)N1CCN(S(C)(=O)=O)CC1 354512890 XYECTIQCGXCVQG-UHFFFAOYSA-N 305.400 -0.134 30 20 DBED CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)c2cnn(C)c2C#N)O1 356663397 FJCCLTMNGAEFBB-JOYOIKCWSA-N 305.338 -0.343 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@H](N)CCCC#N)CC1 424134514 KRAHOGYVUVJBGZ-CYBMUJFWSA-N 307.398 -0.546 30 20 DBED N#CCCC[C@H](N)C(=O)NC[C@@H](N1CCNCC1)C(F)(F)F 424180875 WPWCYMZEOCKQKS-WDEREUQCSA-N 321.347 -0.040 30 20 DBED CN(C)CCN(C[C@@H]1CCCO1)C(=O)Cn1cnc(C#N)n1 426441794 GZWRKEJTPNMITA-LBPRGKRZSA-N 306.370 -0.281 30 20 DBED N#Cc1ccc(F)c(CS(=O)(=O)N2C[C@H](O)[C@H](O)C2)c1 434764003 GXTMRKAASINLER-TXEJJXNPSA-N 300.311 -0.435 30 20 DBED C#C[C@H](NC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C)C(C)C 490637135 PYGXAWGYJKSCMZ-NSHDSACASA-N 316.361 -0.037 30 20 DBED C#CC(C)(C)N(C)CC(=O)NCCCN(C)S(C)(=O)=O 491676815 PKMRIWMEYODFMS-UHFFFAOYSA-N 303.428 -0.272 30 20 DBED CCOC[C@H]1CN(S(=O)(=O)N2CCO[C@H](C#N)C2)CCO1 528533777 AJSJAYQHPLIEQY-VXGBXAGGSA-N 319.383 -0.807 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@@H](C)S(C)(=O)=O 558561439 XMKSJUFSDLUELW-NXEZZACHSA-N 311.429 -0.265 30 20 DBED CN1C[C@H](NCCS(=O)(=O)c2ccc(C#N)cn2)CC1=O 577172090 HSLRYGHQJRLTOL-LLVKDONJSA-N 308.363 -0.453 30 20 DBED N#CC1CN(C(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)C1 590488377 PYWOYWSQOFYJON-CQSZACIVSA-N 320.393 -0.318 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 595262375 GEPFRXLNUZDLHN-MQYQWHSLSA-N 322.409 -0.079 30 20 DBED N#Cc1ccnc(N2CCN(C(=O)[C@@H]3CCO[C@H]3CN)CC2)c1 595918371 ACIINCFUUYGGQX-KGLIPLIRSA-N 315.377 -0.034 30 20 DBED C[C@H](Cn1ccnc1)NC(=O)C(=O)N1CCN(CCC#N)CC1 602235631 FIBAQQAAQBRQDU-CYBMUJFWSA-N 318.381 -0.554 30 20 DBED CCN1CCC(NS(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 619707262 CYLNRVKASBBRTR-LBPRGKRZSA-N 302.400 -0.471 30 20 DBED C=CCNC(=O)CS(=O)(=O)Cc1nnnn1CCCC 642026938 SFSZWGCJCSMVCD-UHFFFAOYSA-N 301.372 -0.310 30 20 DBED C=CCn1c(COC)nnc1N1CCN(C(=O)COC)CC1 669818222 ZAUCIOHFWHYLNS-UHFFFAOYSA-N 309.370 -0.095 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C(N)=O)C(C)C)C1=O 726039980 VBIFWABBVZHREI-SECBINFHSA-N 311.294 -0.984 30 20 DBED Nc1nc(NCCN/C(O)=C2/N=CC=CC2=O)ncc1[N+](=O)[O-] 731903300 IOYAALPTCOXVBI-LUAWRHEFSA-N 319.281 -0.095 30 20 DBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCC(O)CC1 733310304 CZCVCZKEMJBOAD-UHFFFAOYSA-N 323.374 -0.292 30 20 DBED COC(=O)CN(CC#N)S(=O)(=O)c1ncn(C)c1Cl 741156951 AUIKPZPKGNVMQC-UHFFFAOYSA-N 306.731 -0.239 30 20 DBED COc1ncnc(N)c1C=NNC(=S)NCCCN(C)C 747631229 FNZLOPHZNUBSKY-UHFFFAOYSA-N 311.415 -0.183 30 20 DBED C#Cc1ccc(C(=O)N(CCO)CCN2CCOCC2)cn1 757107101 SSCJOLUPTHBBQN-UHFFFAOYSA-N 303.362 -0.170 30 20 DBED C=CCS(=O)(=O)NC(=O)[C@H]1COCCN1CC(F)(F)F 797184429 IVOHLPVEAUFWHS-MRVPVSSYSA-N 316.301 -0.119 30 20 DBED CC(C)Cc1nc(C#N)c(NN=C2C(=O)NC(=O)NC2=O)o1 814219761 QXZPVACESREYMV-UHFFFAOYSA-N 304.266 -0.121 30 20 DBED C=CCNC(=O)COC(=O)c1ccc2c(c1)NC(=O)CNC2=O 814521873 REYDAJQZGLCCFF-UHFFFAOYSA-N 317.301 -0.173 30 20 DBED C#CC[C@@H](CO)NC(=O)c1ccc(=O)n(-c2cnn(C)c2)c1 816672702 HWLGDQSEFAJNCC-LBPRGKRZSA-N 300.318 -0.315 30 20 DBED CN(C[C@H](O)CN1CCOCC1)C(=O)[C@@](C)(C#N)CC(=O)O 820574292 NMJAKCJVEPSTAB-SMDDNHRTSA-N 313.354 -0.858 30 20 DBED CN(C)S(=O)(=O)c1cc(C(=O)N[C@H]2CNC[C@H]2C#N)co1 834479730 HXYNLLCGMWVNKO-ZJUUUORDSA-N 312.351 -0.629 30 20 DBED CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CNC[C@H]2C#N)cc1 834516743 LOAWIGJGQGMGAP-YPMHNXCESA-N 322.390 -0.174 30 20 DBED N#C[C@@H]1CNC[C@H]1NC(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 834517414 VEFVJMQVMSHLPU-OUCADQQQSA-N 313.361 -0.342 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CCN(C)[C@@H]2C)CC1 843789943 CFOKWYRCYXHIHL-HUUCEWRRSA-N 320.437 -0.390 30 20 DBED C=CCS(=O)(=O)CCNS(=O)(=O)N1CCCOCC1 845906001 AHJWQRQKKLERTP-UHFFFAOYSA-N 312.413 -0.856 30 20 DBED C/N=C(/NCCN1CCOCC1)NCC1([S@@](C)=O)CCC1 849026266 QQEFHFGTVCYIMX-OAQYLSRUSA-N 316.471 -0.215 30 20 DBED C#CCN(C)CCCNC(=O)C1(n2cnnn2)CCOCC1 854664646 ZJPASVJLJXWLIY-UHFFFAOYSA-N 306.370 -0.750 30 20 DBED C=CCCONC(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1 856032835 SJXQTRAKPPCYKP-SECBINFHSA-N 302.356 -0.289 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 938861235 BYGDAOIANAUWFI-TUAOUCFPSA-N 321.377 -0.440 30 20 DBED C[C@@H](C#N)C(=O)N1CCCN(C(=O)[C@H]2CCCNC2=O)CC1 941359216 VUSXZQDCJIZBBH-RYUDHWBXSA-N 306.366 -0.267 30 20 DBED O=C(NC[C@@H]1CN(C(=O)C#CC2CC2)CCO1)c1ncc[nH]1 944582796 HQJJXYDGNKZWKE-GFCCVEGCSA-N 302.334 -0.220 30 20 DBED C[C@H](C#N)C(=O)N1CCC2(CC1)CN(C(=O)[C@H]1CCC(=O)N1)C2 945031229 RYFDBZDJSJEKGQ-VXGBXAGGSA-N 318.377 -0.124 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C[C@H]1C 947324010 OTXBYWNJHJBMJO-NEPJUHHUSA-N 320.397 -0.078 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)CC(N)=O)C1 950257796 KJILRISUXXNNCK-TUAOUCFPSA-N 309.366 -0.440 30 20 DBED C[C@@H]1OCCO[C@@H]1C(=O)NC[C@@H]1CCN1C(=O)C#CC1CC1 950757023 XCHMRLWEOUYRNS-WHOFXGATSA-N 306.362 -0.079 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@H]2CNC(=O)c2cnon2)[nH]1 951752648 GTJCCDUUPQSJEL-VIFPVBQESA-N 300.278 -0.086 30 20 DBED C=CCn1cc(C(=O)N2CC[C@@H]2CNC(=O)c2cnon2)nn1 951766320 RZZIEARQEHLUFF-SECBINFHSA-N 317.309 -0.508 30 20 DBED C=CCN1C[C@@H](O)[C@H](CNC(=O)c2ccn(CCOC)n2)C1 958255240 WYQGCVCVFMTWAK-TZMCWYRMSA-N 308.382 -0.262 30 20 DBED C=CCN1C[C@H](CNC(=O)c2cc(=O)c(OC)c[nH]2)[C@@H](O)C1 958264239 VMPCVXVBZIWXMS-GWCFXTLKSA-N 307.350 -0.408 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2c(C)c(C)nn(C)c2=O)C1 958309635 OPAAOEQBGQOMTF-QWHCGFSZSA-N 318.377 -0.947 30 20 DBED C=CCCN1C[C@H](O)[C@H](CNC(=O)c2nccnc2C(N)=O)C1 958653546 MHAWARORSWGEBQ-MNOVXSKESA-N 319.365 -0.826 30 20 DBED CN(C(=O)c1c[nH]c(C#N)c1)[C@H]1CN(C(=O)C2CC2)C[C@@H]1O 958828430 DXHFFODZKJJDHU-STQMWFEESA-N 302.334 -0.060 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cc[nH]n1 960062616 ZCBJFOJCKJDMLN-ADEWGFFLSA-N 303.322 -0.379 30 20 DBED Cc1cc(C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2O)no1 961398661 WECCQSGUXXYXOG-OLZOCXBDSA-N 303.318 -0.302 30 20 DBED CN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CCCN(C(=O)C(N)=O)CC1 967534448 ZKDUGWKLPHCORK-LLVKDONJSA-N 317.349 -0.175 30 20 DBED O=C(Cn1nccn1)N1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC1CC1 968992855 CCOWFNGEKXXWJE-OKILXGFUSA-N 313.361 -0.107 30 20 DBED C[C@@H](NC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1)C1CN(CC#N)C1 969667347 JDIOUVXKVNARRZ-MNOVXSKESA-N 316.365 -0.277 30 20 DBED Cc1nn(C)c(=O)c(C(=O)N[C@@H](C)C2CN(CC#N)C2)c1C 970250055 HLAOUVBWJARPCL-NSHDSACASA-N 303.366 -0.029 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)c2ccc(O)nc2)C1 970530530 GJTWDHDWDZCMDB-IEBDPFPHSA-N 304.306 -0.752 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)c3cc(=O)n(C)o3)[C@@H]2C1 971941948 GUHCLADRJCSORX-GMTAPVOTSA-N 318.333 -0.189 30 20 DBED C#CCN(C)[C@H]1CCN(C(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 972050457 WCUVQOUCJBGUOY-NSHDSACASA-N 314.353 -0.527 30 20 DBED C#CCN1C[C@@H](NC(=O)CN2CCN(C)C(=O)C2)C(C)(C)C1 974747117 AWDVHSLTFPTCHM-CYBMUJFWSA-N 306.410 -0.780 30 20 DBED C[C@H](C(N)=O)N1C[C@@H]2C(CNC(=O)c3ccc(C#N)[nH]3)[C@H]2C1 978024448 UTYBXCDLJOFSRY-GGZOMVNGSA-N 301.350 -0.332 30 20 DBED C[C@@H](NCc1cnn(C)n1)[C@@H]1CN(C(=O)C#CC2CC2)CCO1 979330737 KBQLLOMWTKPWSC-DOMZBBRYSA-N 317.393 -0.066 30 20 DBED CCC(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1n1ccnn1 990763990 GELJXUGWOWTJOO-OLZOCXBDSA-N 301.350 -0.030 30 20 DBED C#CCCN1CCC[C@H](NC(=O)CN2CC(=O)N(C)C2=O)[C@@H]1C 994216451 VKUAZEQVRHZZCF-STQMWFEESA-N 320.393 -0.127 30 20 DBED CC#CCN1CCC[C@H](NC(=O)Cn2c(O)nnc2O)[C@H]1C 994295485 LSMWVYYXYUQDTN-MNOVXSKESA-N 307.354 -0.318 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H](O)C(C)C)C1 994750120 GHDKXNBUOHWRIY-UONOGXRCSA-N 307.394 -0.572 30 20 DBED C=CCN1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCNC3=O)nn2)C1 999999071 BZGMOXNUKMTYGY-CHWSQXEVSA-N 318.381 -0.537 30 20 DBED N#Cc1ccc(C(=O)NCC2CN(C(=O)[C@@H]3CCC(=O)N3)C2)[nH]1 1001478269 QOSAUEZZHJKDQO-LBPRGKRZSA-N 315.333 -0.647 30 20 DBED C[C@H](C#N)C(=O)N1CC(CNC(=O)c2cc(C(N)=O)c[nH]2)C1 1003873931 UACHNNHVBNLMLI-MRVPVSSYSA-N 303.322 -0.539 30 20 DBED Cn1ncc(C(=O)N2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)n1 1010920900 NAXSFBMGJFWWDU-UHFFFAOYSA-N 313.321 -0.387 30 20 DBED C#Cc1ccccc1CC(=O)N1CC[C@@H](NC(=O)C(N)=O)[C@@H]1C 1011940825 ROYRQPMAUQPCMV-SMDDNHRTSA-N 313.357 -0.199 30 20 DBED COCCn1nc(C(=O)N[C@@H]2CCN(CC#N)C2)ccc1=O 1015177723 OFSVXERJLLLACJ-LLVKDONJSA-N 305.338 -0.783 30 20 DBED C[C@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(Cc1nc(=O)n(C)[nH]1)C2 1017421571 GJBQAEBNYLTEKS-VWYCJHECSA-N 304.354 -0.557 30 20 DBED C=C(C)CN[C@H]1C[C@H](NC(=O)[C@H]2CCN(C)S2(=O)=O)C1 1020720884 IWYHRNRJUXXYIA-IJLUTSLNSA-N 301.412 -0.167 30 20 DBED Cc1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2O)c(C)nn1 1023887240 QPQABUACTPLVIV-ZEGGKSINSA-N 317.349 -0.445 30 20 DBED CCc1c(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2O)cnn1C 1024557812 AYOLTNSFNSIARX-UFGOTCBOSA-N 319.365 -0.556 30 20 DBED C=CCN[C@@H]1CC[C@@H]2CN(C(=O)CN3C(=O)CNC3=O)C[C@H]21 1026415947 OHLMEQXRQJXQCT-IJLUTSLNSA-N 306.366 -0.449 30 20 DBED CN1C(=O)CN(CC(=O)N2CCC[C@@H](N(C)CC#N)C2)C1=O 1027646955 BLHNEYKZXSDUME-LLVKDONJSA-N 307.354 -0.673 30 20 DBED CN(CC#N)[C@@H]1CCCN(C(=O)CN2C(=O)NC(C)(C)C2=O)C1 1027671769 ZDKONHSEDRTOHZ-LLVKDONJSA-N 321.381 -0.237 30 20 DBED CN(CC#N)[C@@H]1CCCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 1027683308 HDHJUWSMUXVGME-GHMZBOCLSA-N 300.384 -0.876 30 20 DBED CN(C(=O)Cn1nc2n(c1=O)CCCC2)[C@@H]1CCN(CC#N)C1 1033566090 JNBMJKJTGLVOFA-GFCCVEGCSA-N 318.381 -0.563 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)[C@@H]2CCn3ccnc3C2)C1 1035418536 IPIMQEDENOKIQV-KGLIPLIRSA-N 302.378 -0.104 30 20 DBED Cn1cncc1[C@@H]1C[C@H]1C(=O)NC[C@@H]1CN(CC#N)CCO1 1035519525 XLNZCKFCBKOZGF-JHJVBQTASA-N 303.366 -0.136 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2CN(C[C@H](C)OC)CCO2)nn1 1035535243 HEIQIQOTIVSQPG-QWHCGFSZSA-N 323.397 -0.070 30 20 DBED C#CCCN1CCO[C@@H](CNC(=O)[C@@H]2CCCN2C(N)=O)C1 1035624184 MNVNHXYFIBGFRD-STQMWFEESA-N 308.382 -0.630 30 20 DBED C=CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)C1(n2cnnn2)CCOCC1 1037619361 IFHKFTWVGLKORC-FRRDWIJNSA-N 318.381 -0.446 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2CCN2CC(=O)N(C)C)nn1 1038791887 SBPDDTPKXVNJMJ-NSHDSACASA-N 306.370 -0.644 30 20 DBED Cc1nonc1C(=O)N1CC[C@](O)(CNC(=O)C#CC2CC2)C1 1039684675 CMIDRBQHIKYFCG-HNNXBMFYSA-N 318.333 -0.515 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@]1(O)CCN(C(=O)c2cn[nH]c2)C1 1039721076 HQVARCCRAZGVFT-ABAIWWIYSA-N 320.349 -0.859 30 20 DBED C[C@H]1CCN(C(=O)C(N)=O)C[C@@H]1CN=c1cc[nH]cc1C#N 1039890232 YCVQJGILHJNXAM-JQWIXIFHSA-N 301.350 -0.243 30 20 DBED Cc1nonc1C(=O)N1CC[C@](O)(CNC(=O)[C@@H](C)C#N)C1 1040769304 KTIONZVNXZUMJV-SDBXPKJASA-N 307.310 -0.769 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H]3CCN(CCO)[C@@H]3C2)nn1 1042262869 PZVDIPVMNCFRJS-TZMCWYRMSA-N 305.382 -0.007 30 20 DBED N#Cc1ccc(C(=O)NCC2(O)CN(C(=O)[C@H]3CC34CC4)C2)[nH]1 1042616641 XCKJMFKJRDLJMF-LLVKDONJSA-N 314.345 -0.010 30 20 DBED C=CCCCC(=O)N1CC(O)(CNC(=O)Cn2cnnc2O)C1 1042684645 HESCNWKTXYEGER-UHFFFAOYSA-N 323.353 -0.971 30 20 DBED C=CCCCC(=O)N1CC(O)(CNC(=O)c2cnnn2CC)C1 1042906231 KUUHEGNPOOMYBY-UHFFFAOYSA-N 321.381 -0.043 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)[C@H]2CO[C@H](C)C2)C1 1042940662 DTBQKXGUWRDVTP-CHWSQXEVSA-N 308.378 -0.240 30 20 DBED C=CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)Cc2cnc[nH]2)C1 1043573766 AVDRFIOTUQGHOM-LLVKDONJSA-N 322.365 -0.767 30 20 DBED Cn1cnc(C(=O)N[C@@H]2CN(c3ccnc(C#N)n3)C[C@@H]2O)c1 1043912365 ZKFQGIVQQOQRLV-KOLCDFICSA-N 313.321 -0.939 30 20 DBED N#Cc1cnc(N2C[C@H](O)[C@H](NC(=O)c3n[nH]cc3F)C2)cn1 1044493902 HLTVIIJVZNLQEA-ZJUUUORDSA-N 317.284 -0.810 30 20 DBED C[C@H]1C[C@H](NCC#N)CCN1C(=O)CCn1cc[nH]c(=O)c1=O 1044777176 QSLYHGBANZCASK-NWDGAFQWSA-N 319.365 -0.581 30 20 DBED C=CCCCC(=O)NCC1(O)CN(C(=O)[C@H]2CC[C@H]2C(N)=O)C1 1045462823 QOJGETQOBPZCJO-NEPJUHHUSA-N 323.393 -0.456 30 20 DBED C=C(C)CCC(=O)N1CC(O)(CNC(=O)c2cn(C)c(O)n2)C1 1045739098 HTTHIYOASHTLMH-UHFFFAOYSA-N 322.365 -0.215 30 20 DBED CN1CCO[C@@H](C(=O)N2CCN([C@@H]3CCN(CC#N)C3)CC2)C1 1046014238 SAYYZILAXNILHP-HUUCEWRRSA-N 321.425 -0.941 30 20 DBED C=CCN1CC[C@H](N2CCN(C(=O)c3cn(C)nn3)CC2)C1 1046029324 PQYALNHCOCENII-ZDUSSCGKSA-N 304.398 -0.167 30 20 DBED O=C(CC1=CCOCC1)NCC1(O)CN(C(=O)C#CC2CC2)C1 1046127257 VCDBXRHAAKJBHM-UHFFFAOYSA-N 318.373 -0.174 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cnn3c2OCCC3)C1 1047443244 CLUGFKYRIMPXOE-STQMWFEESA-N 304.350 -0.584 30 20 DBED C=C(C)CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCN(C)C2=O)C1 1047494027 GDUXUSKCXDRJPC-RDBSUJKOSA-N 309.410 -0.066 30 20 DBED C=CCn1cc(C(=O)N2C[C@@H]3CN(CC(=O)NC)C[C@@H]3C2)nn1 1049103745 SYMPMDYJZMYJKW-TXEJJXNPSA-N 318.381 -0.786 30 20 DBED C=CCCCC(=O)N(C)[C@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1O 1049348891 DGWSLJMAMYVISD-RYUDHWBXSA-N 322.369 -0.941 30 20 DBED COCC1(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)C#N)C2)CCC1 1049402807 YKRLAJKQDZAGIT-AVGNSLFASA-N 323.393 -0.007 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)CCn2ccnc2)C[C@@H]1O 1049408179 PNFGTQXSIZTEOF-AGIUHOORSA-N 319.365 -0.537 30 20 DBED C#CCCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC(=O)NC(=O)N1 1049750967 ATEZXCCQTNWCIG-YNEHKIRRSA-N 318.377 -0.327 30 20 DBED Cn1nc(C(=O)N2CCC[C@H]3CN(CC#N)C[C@H]32)ccc1=O 1050197973 QWNBMZKWIZNNRY-WCQYABFASA-N 301.350 -0.160 30 20 DBED Cc1cnc2c(C(=O)NC[C@H]3COCCN3CC#N)cnn2c1 1051143458 HCESBSDIZVCOCE-LBPRGKRZSA-N 314.349 -0.008 30 20 DBED C=CCN1CCN([C@H]2CCN(C(=O)C[C@H]3CCNC3=O)C2)CC1 1052035460 CNEAXLPNSJXGSQ-CABCVRRESA-N 320.437 -0.083 30 20 DBED C=CCN1CCN([C@@H]2CCN(C(=O)[C@@H]3CCCNC3=O)C2)CC1 1052037530 NFKZIWRCLSQULE-HUUCEWRRSA-N 320.437 -0.083 30 20 DBED CCn1ncnc1CN1CC2(C1)CN(C(=O)[C@@H](C)C#N)CCO2 1053193670 PUODGOWPBLPIRC-LBPRGKRZSA-N 318.381 -0.129 30 20 DBED Cn1nnc(CN2CC3(C2)CN(C(=O)C#CC2CC2)CCO3)n1 1053249772 COKHZNQWBHJFPM-UHFFFAOYSA-N 316.365 -0.963 30 20 DBED CC(C)C#CC(=O)N1C[C@@H]2CN(C(=O)Cc3nc[nH]n3)C[C@@H]2C1 1055329206 XRDUPMDENYPZNC-BETUJISGSA-N 315.377 -0.077 30 20 DBED CO[C@@H](C)C(=O)N[C@@]1(CO)CCCN(C(=O)C#CC2CC2)C1 1055807454 YSFCLQCHKAWIFY-LRDDRELGSA-N 308.378 -0.096 30 20 DBED N#Cc1nccnc1N1CCN(C(=O)CCn2cnnn2)CC1 1055882645 HFZJLPORIJGDME-UHFFFAOYSA-N 313.325 -0.926 30 20 DBED CN1CCO[C@@H](C(=O)N2CC[C@@H](Nc3cncc(C#N)n3)C2)C1 1056599915 USJRUHKOIBOOPV-DGCLKSJQSA-N 316.365 -0.308 30 20 DBED CN(c1cnc(C#N)cn1)[C@H]1CCN(C(=O)Cn2nccn2)C1 1056972717 QEEBRSJTDWMMHE-LBPRGKRZSA-N 312.337 -0.323 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)[C@H](C)OCC1CC1 1057139093 XBSIRJXTDREQKA-RYUDHWBXSA-N 311.382 -0.102 30 20 DBED C#CCO[C@H](C)C(=O)N(CCO)CCNC(=O)C[C@@H](C)OC 1057583573 UCIBEQNNTVGTJC-CHWSQXEVSA-N 314.382 -0.613 30 20 DBED C#CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)c1nc(C)c[nH]1 1057708191 RYXZCFUINDJCIA-LBPRGKRZSA-N 322.365 -0.693 30 20 DBED N#Cc1cnc(N2CCC(NC(=O)Cn3nccn3)CC2)cn1 1057906016 CJUOYTCUZJUXQF-UHFFFAOYSA-N 312.337 -0.275 30 20 DBED C=CC(C)(C)C(=O)N(CCO)CCNC(=O)CCc1nc[nH]n1 1058302132 GSZWVGBQLZQJQI-UHFFFAOYSA-N 323.397 -0.113 30 20 DBED CN1CCOC[C@H]1C(=O)N[C@@H]1CCN(c2ccc(C#N)nc2)C1 1058318890 IHANBZWMYRGXGS-HIFRSBDPSA-N 315.377 -0.021 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)[C@H]1CN(C)C[C@H]1C 1058849442 UHYVJKOPPGJRQV-CABCVRRESA-N 323.437 -0.219 30 20 DBED C=C[C@@H](C)[C@H](C)C(=O)NCCN(CCO)C(=O)Cc1nc[nH]n1 1058891454 HVOHCGBSNVVHBS-NEPJUHHUSA-N 323.397 -0.258 30 20 DBED N#Cc1cnc(N[C@H]2C[C@@H](NC(=O)Cn3cnnn3)C2)c(F)c1 1059571198 XEBHVXJQJRYAIS-AOOOYVTPSA-N 316.300 -0.162 30 20 DBED N#Cc1cccnc1NC[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 1060972421 KCEBIAPVSICAKV-JQWIXIFHSA-N 314.349 -0.105 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCOC[C@@H]1CNC(=O)c1nc[nH]n1 1061766492 LBEOCYCCCULJGE-QWRGUYRKSA-N 323.353 -0.647 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)CN(C)C1CCC1 1061852493 IXFKOKWMJOCNFO-JSGCOSHPSA-N 322.409 -0.026 30 20 DBED NC(=O)NCC(=O)N1CCCC[C@@H]1CNC(=O)C#CC1CC1 1061995920 ZPOBAYGWXBARFV-GFCCVEGCSA-N 306.366 -0.435 30 20 DBED C=CCCn1cc(C(=O)NC2(CNC(=O)C(N)=O)CCC2)nn1 1064295382 OFXLYBNWWYPRAY-UHFFFAOYSA-N 320.353 -0.892 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)[C@H]2COCCO2)CCO1 1064881312 ROHNNKNZPYSXIK-ZIAGYGMSSA-N 324.377 -0.595 30 20 DBED C#CCNC(=O)CC(=O)N1CCO[C@H](CNC(=O)CC(C)C)C1 1065064024 RIPDHVPICVSMGH-CYBMUJFWSA-N 323.393 -0.484 30 20 DBED C[C@]1(NC(=O)[C@H]2COCCO2)CCN(c2cnc(C#N)cn2)C1 1065210005 IWRHASHXGKCNFA-DOMZBBRYSA-N 317.349 -0.151 30 20 DBED N#Cc1cccnc1N1CCOC[C@H]1CNC(=O)c1cnn[nH]1 1066530631 LDGRCMAVAAPCEK-LLVKDONJSA-N 313.321 -0.293 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(C[C@@H](NC(=O)CC(C)(C)O)CO2)C1 1068842693 PSJJFGTUXVAYSC-WDEREUQCSA-N 309.366 -0.207 30 20 DBED CC1(C)CN(C(=O)CC(N)=O)C[C@@H]1Nc1cnc(C#N)cn1 1069547857 LGLCFFAPCRFKBZ-JTQLQIEISA-N 302.338 -0.127 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)[C@H]2COC(=O)N2)CCOCC1 1070098182 QZWUFMTXPHQWFO-VHSXEESVSA-N 324.337 -0.964 30 20 DBED N#CCN[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1n1ccnn1 1070178631 BEFLRRYCPCXKGT-OLZOCXBDSA-N 310.321 -0.343 30 20 DBED CO[C@H](C(=O)N1C[C@H](n2ccnn2)[C@H](NCC#N)C1)C(C)C 1070267837 SJLJHEFMYQCGDU-AGIUHOORSA-N 306.370 -0.186 30 20 DBED Cn1cncc1[C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1NCC#N 1070653476 SXHXPWGQVAURMM-VXGBXAGGSA-N 314.353 -0.881 30 20 DBED N#CCN1C[C@H]2C[C@@H]3CN(C(=O)c4c[nH]c(=O)cn4)C[C@@]3(C1)O2 1070844447 CRFCUKPRZXWJKY-UEKVPHQBSA-N 315.333 -0.791 30 20 DBED C=CCCN1C[C@@H]2OC(=O)N([C@@H]3CCN(C(=O)C(N)=O)C3)[C@@H]2C1 1070919683 QLMFTTDTZLBYFO-UTUOFQBUSA-N 322.365 -0.846 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CCCN2C(N)=O)C1 1070939171 YBOVJDLDGNNUPV-UTUOFQBUSA-N 321.381 -0.204 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)Cn2cc(C)cn2)CC1 1070943597 VWUJKRFCSSKUEL-UHFFFAOYSA-N 317.393 -0.525 30 20 DBED C=CC(C)(C)C(=O)N1CCC(=O)NCCN([C@H](C)C(N)=O)CC1 1070985190 IYEQKMBPKBQRTD-GFCCVEGCSA-N 324.425 -0.277 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)[C@H]2CCN(C)C2=O)CC1 1070986742 ADCKNPLMLGCDLW-ZDUSSCGKSA-N 322.409 -0.699 30 20 DBED C#CCOCCC(=O)N[C@H]1CN(C(=O)CCNC(N)=O)C[C@H]1C 1072073847 GEITUELSZFKGCS-NEPJUHHUSA-N 324.381 -0.952 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1C 1072389730 HBWKXNIRUJRKRQ-DGCLKSJQSA-N 319.365 -0.568 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]2CN(CCN3C(=O)CNC3=O)C[C@H]21 1075616584 XOTLQNDOGADTAW-GRYCIOLGSA-N 319.365 -0.769 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC(=O)N(C(C)C)C2)C1 1077083997 LAKDDGPFUXZHCL-BFHYXJOUSA-N 307.394 -0.572 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3nnnn3CC2)C1 1077706267 CAJRIYNHVGCKFE-YNEHKIRRSA-N 320.397 -0.637 30 20 DBED CCN(C(=O)C#CC1CC1)C1CN(C(=O)[C@H]2COC(=O)N2)C1 1079736817 LFEIZBLAGRUGPH-GFCCVEGCSA-N 305.334 -0.433 30 20 DBED C[C@@H](C#N)C(=O)NC1(CO)CCN(C(=O)c2csnn2)CC1 1080983507 PHTIINXHRMNBRL-VIFPVBQESA-N 323.378 -0.219 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1O 1081464028 VCYUSQWUESCMGY-DGCLKSJQSA-N 319.365 -0.976 30 20 DBED C=C(C)CCC(=O)NC[C@@H]1CN(C(=O)CNC(C)=O)C[C@@H]1O 1081528631 OYWZSXUDIGLNFY-OLZOCXBDSA-N 311.382 -0.586 30 20 DBED C=CCCOCC(=O)NC[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1081568851 IEESZDIXRZYNKY-HUUCEWRRSA-N 320.389 -0.072 30 20 DBED C=CCCOCC(=O)NC[C@H]1CN(C(=O)c2ncc[nH]2)C[C@@H]1O 1081569107 KPQNXNIHHMAUPU-RYUDHWBXSA-N 322.365 -0.449 30 20 DBED C#CCOCCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cnco2)C1 1081624312 WARZYTIGUQCQES-NEPJUHHUSA-N 321.333 -0.736 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1nccn2ccnc12 1082144642 DKUFLGRQVOMNFQ-GHMZBOCLSA-N 300.322 -0.318 30 20 DBED Cc1nn(C)cc1CC(=O)N1CCO[C@@H]2CN(CC#N)C[C@@H]21 1083107713 UAEASAAUPIRAIL-UONOGXRCSA-N 303.366 -0.294 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)c2cn(C3CCC3)nn2)C1 1083466553 ZMBNVYOTEFLRJI-OCCSQVGLSA-N 303.366 -0.199 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)c2cnn3cc(C)cnc23)C1 1083827057 YKFHOMFQYKXYQV-KGLIPLIRSA-N 313.361 -0.164 30 20 DBED N#CCN1C[C@@H](NC(=O)[C@@H]2CNC(=O)N2)[C@H](c2ccccc2)C1 1086606975 HAHMZOMZSRQORK-MELADBBJSA-N 313.361 -0.224 30 20 DBED C#CCCN1CC[C@H](NC(=O)CN2CCCCC2=O)[C@H](O)C1 1090384337 JSXWQUUHVJFCAT-UONOGXRCSA-N 307.394 -0.426 30 20 DBED N#CCN1CC[C@H](NC(=O)c2cnc3nccn3c2)[C@H](O)C1 1090431454 YDYNOKHEPSABIR-NWDGAFQWSA-N 300.322 -0.582 30 20 DBED C=CCN1CC[C@H](NC(=O)C(C)(C)N2CCOCC2)[C@H](O)C1 1090636782 CLXQNKAORGQCKF-UONOGXRCSA-N 311.426 -0.165 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2ccc(C(N)=O)s2)[C@@H](O)C1 1090643389 FVUUSOAKJIJDEB-ZJUUUORDSA-N 307.375 -0.355 30 20 DBED CO[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1NC(=O)CCN(C)C 1090936295 FNBPLNFPVVRKAR-CHWSQXEVSA-N 318.381 -0.380 30 20 DBED CCN(CC)CC(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1091109450 XBORHKMOLUANSL-OLZOCXBDSA-N 318.381 -0.644 30 20 DBED CCC(=O)NCC(=O)N1CCN(c2cnc(C#N)cn2)CC1 1093150341 PSJMXCQRIYFXBY-UHFFFAOYSA-N 302.338 -0.477 30 20 DBED N#Cc1cnccc1N1C[C@H]2[C@H](NC(=O)CCn3cnnn3)[C@H]2C1 1093294687 YBEIHIGTBYPCKB-JYAVWHMHSA-N 324.348 -0.419 30 20 DBED COC[C@H](OC)C(=O)NC1[C@H]2CN(c3ccc(C#N)nn3)C[C@H]12 1093344833 KVNOWZNRBUXBSF-SRVKXCTJSA-N 317.349 -0.440 30 20 DBED N#CCN1CC(OC2CCN(C(=O)C3(C(N)=O)CC3)CC2)C1 1093567375 MLTDZEJZIMDJKB-UHFFFAOYSA-N 306.366 -0.533 30 20 DBED CCc1nc(C#N)cc(NCCNC(=O)c2c[nH]c(=O)cn2)n1 1094092429 XUHOTBQLESWFOI-UHFFFAOYSA-N 313.321 -0.164 30 20 DBED Cc1nonc1C(=O)NCc1cn(C2CN(CC#N)C2)nn1 1094342005 BLVDHGCUMXQSLI-UHFFFAOYSA-N 302.298 -0.720 30 20 DBED Cn1oc(C(=O)NCCCNc2ccc(C#N)nn2)cc1=O 1094409813 HRUMIQMPBGSUEB-UHFFFAOYSA-N 302.294 -0.128 30 20 DBED N#Cc1cnc(NCCCNC(=O)[C@@H]2CCS(=O)(=O)C2)cn1 1094662186 YTGCOANEOSIJLH-SNVBAGLBSA-N 323.378 -0.299 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)Cc3nonc3C)CC2=O)C1 1094803184 ITKJXUNXYJQPOP-LLVKDONJSA-N 319.365 -0.492 30 20 DBED COCCOCC(=O)N1CCC[C@@H](N=c2cc[nH]c(C#N)n2)C1 1095288903 OPNSFSXXDOSMAT-GFCCVEGCSA-N 319.365 -0.164 30 20 DBED CCc1nc(C#N)cc(N[C@@H](CNC(=O)C(N)=O)C2CC2)n1 1096794761 DEXDPDGALMLZRD-JTQLQIEISA-N 302.338 -0.297 30 20 DBED COC(=O)NCC(=O)N[C@H]1C[C@@H](N=c2cc[nH]cc2C#N)C1 1097148548 ZROYGXKDRIKAKS-PHIMTYICSA-N 303.322 -0.210 30 20 DBED CC(=O)NCC(=O)NC[C@@H]1CCCN(c2nccnc2C#N)C1 1097267067 LKKUNWPPRSRTMO-LBPRGKRZSA-N 316.365 -0.183 30 20 DBED C[C@@H](CNC(=O)[C@]1(C)CCNC1=O)N=c1cc[nH]c(C#N)n1 1098260676 HKYWIYWDVDKLIF-LKFCYVNXSA-N 302.338 -0.787 30 20 DBED C=CCN(CCO)C1CCN(C(=O)C[C@H]2CCNC2=O)CC1 1098390841 YYSYLDXVNQKRCW-CYBMUJFWSA-N 309.410 -0.016 30 20 DBED C#CCN(CCO)C1CCN(C(=O)CCOCCOC)CC1 1098579757 MPQPPWURSCOFQY-UHFFFAOYSA-N 312.410 -0.042 30 20 DBED C#CCNCc1cn([C@H]2CCN(C(=O)c3cnccn3)C2)nn1 1098600453 BCWIEDLGXMWFGO-ZDUSSCGKSA-N 311.349 -0.122 30 20 DBED C[C@H]1CN(C(=O)[C@H]2CNC(=O)N2)CC2(CCN(CC#N)CC2)O1 1098630425 FSDIRBXYUHWLLT-NWDGAFQWSA-N 321.381 -0.727 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CS(=O)(=O)C(C)C)[C@H](O)C1 1100115927 ICTJATQMMCLZTQ-CHWSQXEVSA-N 316.423 -0.616 30 20 DBED CN(CCNC(=O)[C@H]1CC[C@@H](C(N)=O)C1)c1cncc(C#N)n1 1100328080 NQDCIYCSQMOEMB-MNOVXSKESA-N 316.365 -0.198 30 20 DBED Cn1nnc(C(=O)NCCN(c2ccnc(C#N)n2)C2CC2)n1 1101423947 RZFIOCLOKFORMD-UHFFFAOYSA-N 313.325 -0.729 30 20 DBED CN(CCNc1nccnc1C#N)C(=O)[C@H]1CCC(=O)NC1 1102027650 RNGCPLKHNFBPJI-JTQLQIEISA-N 302.338 -0.255 30 20 DBED C[C@H](NC(N)=O)C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(C#N)nc1 1102547512 DAIVBIGHRXHIPX-XDTLVQLUSA-N 314.349 -0.200 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1CNC(=O)c1ccn(C)n1 1102578381 ZHNIBHWHLZCKKN-VXGBXAGGSA-N 318.381 -0.642 30 20 DBED CC[C@H](CNC(=O)CCn1cncn1)N=c1cc[nH]c(C#N)n1 1102976668 UZNZQFYZYOWUFX-LLVKDONJSA-N 314.353 -0.241 30 20 DBED N#Cc1cncc(N2CCC[C@@H]2CCNC(=O)CC(N)=O)n1 1103738244 FKOZZJQGBSZERW-LLVKDONJSA-N 302.338 -0.301 30 20 DBED CC(=O)N(C)CC(=O)NC[C@@H](C)CNc1nccnc1C#N 1103876658 SKPQVKZIFLUOBL-SNVBAGLBSA-N 304.354 -0.009 30 20 DBED C#CCOCCC(=O)N1C[C@@H](C)[C@H](CCN[C@H](C)C(N)=O)C1 1104182700 KZJMNDNRADKEIC-MGPQQGTHSA-N 309.410 -0.026 30 20 DBED CC(C)[C@H](CNC(=O)c1nc[nH]n1)N=c1cc[nH]c(C#N)n1 1105211968 SVFUAELPAPFBGM-VIFPVBQESA-N 300.326 -0.245 30 20 DBED CN(CCN(C)c1ccc(C#N)nn1)C(=O)Cc1nc[nH]n1 1105470305 PITRRLJISYJJGP-UHFFFAOYSA-N 300.326 -0.396 30 20 DBED CCNC(=O)CN1CC(OC2CCN(C(=O)[C@@H](C)C#N)CC2)C1 1105695747 NNAKAJWLFQNBRS-LBPRGKRZSA-N 322.409 -0.026 30 20 DBED Cc1ncncc1C(=O)NC[C@H](O)CNc1cnc(C#N)cn1 1105722495 PMLZUCAJYRZNEF-LLVKDONJSA-N 313.321 -0.351 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](O)CNC(=O)[C@@H]2CCOC2)n1 1105738073 OFTXBEBYALFOIV-PWSUYJOCSA-N 305.338 -0.418 30 20 DBED N#Cc1nc(=NC[C@@H](O)CNC(=O)[C@@H]2CCCOCC2)cc[nH]1 1105802901 UEMKXUANZKFOJQ-VXGBXAGGSA-N 319.365 -0.524 30 20 DBED Cc1cc(=NC[C@@H](O)CNC(=O)[C@H]2CCN(C)C2)c(C#N)c[nH]1 1105853144 HXSCXCZHTJRRLE-GXTWGEPZSA-N 317.393 -0.476 30 20 DBED CN1CC[C@@H](C(=O)NC[C@H](O)CNc2cnc(C#N)cn2)C1 1105853758 QSCPRWUGJRRFAZ-ZYHUDNBSSA-N 304.354 -0.811 30 20 DBED CN1CC[C@H](C(=O)NC[C@H](O)CN=c2cc[nH]cc2C#N)C1 1105854137 UUMRFMNTBZFSDI-WCQYABFASA-N 303.366 -0.784 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)CCCOC)C[C@H]1C 1105869951 KFALIUSYNRNRAM-ZIAGYGMSSA-N 309.410 -0.154 30 20 DBED CCOCCOCC(=O)NC[C@H](O)CNc1nccnc1C#N 1105872092 MXOIQIGKMHOESB-NSHDSACASA-N 323.353 -0.710 30 20 DBED C=C(C)CCC(=O)NC[C@@H](O)CN=c1cc[nH]c(C(=O)OC)n1 1105988779 XPVXTKWJZWERHM-NSHDSACASA-N 322.365 -0.070 30 20 DBED C[C@@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)CS(C)(=O)=O 1106239715 XGAXMSUPNUYVQO-VIFPVBQESA-N 311.367 -0.879 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)CN(C)CCC)C[C@H]1C 1106909027 AMASNEPMSXAXDL-HUUCEWRRSA-N 322.453 -0.238 30 20 DBED C=CCCC(=O)NCc1cn(C2CN([C@@H](C)C(=O)NC)C2)nn1 1107142798 QCNQUFUVNIZJLO-NSHDSACASA-N 320.397 -0.148 30 20 DBED C[C@]1(C(=O)NC/C=C\CN=c2cc[nH]c(C#N)n2)CCNC1=O 1107508671 NIXHUSWJCNBZAM-MPNWYJEXSA-N 314.349 -0.619 30 20 DBED C[C@H](CNc1cnc(C#N)cn1)NC(=O)[C@@H]1CN(C)CCO1 1107666855 JWLAFZCDWBDLOW-PWSUYJOCSA-N 304.354 -0.405 30 20 DBED CC(F)(F)C(=O)NC[C@]1(C)CN(CC(=O)NCC#N)CCO1 1107686025 SCLVKJXETANRRO-GFCCVEGCSA-N 318.324 -0.512 30 20 DBED C[C@H](CNc1cnc(C#N)cn1)NC(=O)[C@@H]1CCCNC1=O 1107989975 JJRWJXMJJFHATM-MWLCHTKSSA-N 302.338 -0.209 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@]1(C)CN(CCCO)CCO1 1108003897 MGNOIVBFRWZCEA-DOTOQJQBSA-N 323.437 -0.327 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CC(=O)N(C2CN(Cc3cnon3)C2)C1 1108528805 ZAORNBFKXXTUMM-VHSXEESVSA-N 318.337 -0.869 30 20 DBED C#CCCN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1nnc(O)nc1O)C2 1108720278 LOUHYDGAESZRPC-AXFHLTTASA-N 317.349 -0.111 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN(CC)CC 1109864897 ZVPMWLWBBWJDAY-ILXRZTDVSA-N 320.437 -0.201 30 20 DBED C[C@]1(C(=O)NCC2(Nc3nccnc3C#N)CC2)CNC(=O)C1 1110287420 CCLIJEOPGIISQE-CQSZACIVSA-N 314.349 -0.065 30 20 DBED N#Cc1nccnc1NC[C@@H]1CCCN1C(=O)CNC(N)=O 1110530352 ZCKUMBMFEWIHHR-VIFPVBQESA-N 303.326 -0.581 30 20 DBED C#CCN(C(=O)CC(N)=O)C1CCN(c2ncccn2)CC1 1110621153 LXYFEBFDKTXOAC-UHFFFAOYSA-N 301.350 -0.217 30 20 DBED C[C@H](C#N)C(=O)N[C@]1(C)CCN(c2nccn3nnnc23)C1 1110736194 UNFULOWEBBZBIY-NOZJJQNGSA-N 300.326 -0.236 30 20 DBED CC[C@H](OC)C(=O)NC[C@@]1(O)CCN(c2cnc(C#N)cn2)C1 1111044537 ZTRUXXLACWHNTC-WFASDCNBSA-N 319.365 -0.169 30 20 DBED N#Cc1nc(=NCCN(CCO)C(=O)c2cc(F)c[nH]2)cc[nH]1 1111531117 LXFMLJJNNSGJHV-UHFFFAOYSA-N 318.312 -0.216 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1COCCN1c1cncc(C#N)n1 1111663270 SETSMTDDFFMQPI-PWSUYJOCSA-N 300.322 -0.171 30 20 DBED CNC(=O)CC(=O)NC[C@H]1CN(c2ncccc2C#N)C[C@H]1O 1112709608 MADZIANWPGPDKH-NWDGAFQWSA-N 317.349 -0.997 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)c2c(C)ncn2C)CC1 1112987436 IAZPDXBUBFLXOQ-CYBMUJFWSA-N 317.393 -0.376 30 20 DBED C[C@H](NC(=O)Cn1cncn1)[C@H](C)Nc1nccnc1C#N 1113031049 KCZGXRQJYSSGGF-UWVGGRQHSA-N 300.326 -0.055 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)c2ncccn2)CC1 1113451165 BIACOGNYMAZCRT-LBPRGKRZSA-N 301.350 -0.628 30 20 DBED CC(=O)N(C)CC(=O)NC[C@H](C)N(C)c1cncc(C#N)n1 1113498194 NGWYAWWLYFWZBG-JTQLQIEISA-N 304.354 -0.233 30 20 DBED CC(=O)N[C@@H](C)C(=O)NC[C@@H](C)N(C)c1nccnc1C#N 1113508311 HUONONZHGVEZLP-ZJUUUORDSA-N 304.354 -0.186 30 20 DBED C#CCO[C@H](C)C(=O)NC1[C@H]2CN(Cc3n[nH]c(C)n3)C[C@H]12 1114270618 IRDQDOVACNZPTG-USWWRNFRSA-N 303.366 -0.302 30 20 DBED N#CCNC(=O)CN1C[C@H]2C(NC(=O)[C@@]34CCC[C@@H]3C4)[C@@H]2C1 1114588946 BPKWIUBNFXODSO-DSZLRUIBSA-N 302.378 -0.137 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)CCn3ccnc3)[C@@H]2C1 1114652670 RJCGULWHUQWWKT-CHWSQXEVSA-N 315.377 -0.931 30 20 DBED C=CCC[C@@H](C)N1C[C@H]2[C@H](NC(=O)CN3CCNC(=O)C3)[C@H]2C1 1114662449 KNHSGDXVABXBCK-WVZRYYJFSA-N 320.437 -0.181 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)Cc3ccco3)[C@H]2C1 1114994628 PRUCAEWDJLSMGQ-VIKVFOODSA-N 301.346 -0.382 30 20 DBED CN(CCOCCNC(=O)[C@H]1CCOC1)c1cncc(C#N)n1 1115180914 XGSIQIAFJBNFLO-LBPRGKRZSA-N 319.365 -0.046 30 20 DBED Cc1cc(C#N)nc(N[C@H](C)CN(C)C(=O)CNC(N)=O)n1 1115603272 QGIFCNQOJAXKMA-SECBINFHSA-N 305.342 -0.416 30 20 DBED C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)NCC(=O)NCC#N 1117478578 XZSITIRQPNINHL-RKDXNWHRSA-N 304.372 -0.911 30 20 DBED C=CCn1cc(CNC(=O)C(=O)NCCCC(C)(C)CO)nn1 1118172877 MMTJVDDZEJBFQW-UHFFFAOYSA-N 323.397 -0.005 30 20 DBED C=C(C)CCn1nnnc1N1CC[C@@H](S(=O)(=O)NC)C1 1120155664 MOAWCWDNGWLJCT-SNVBAGLBSA-N 300.388 -0.233 30 20 DBED C[C@@H](CN(C)C(=O)C1(C(N)=O)CC1)Nc1nccnc1C#N 1120555556 UBOXOJVHZNZVJI-VIFPVBQESA-N 302.338 -0.127 30 20 DBED CC(=O)NCC(=O)NC[C@@H](CO)Nc1snc(C)c1C#N 1121129447 SETLYFPTWHFWTK-VIFPVBQESA-N 311.367 -0.652 30 20 DBED CCNC(=O)CCC(=O)NC[C@@H](CO)Nc1ccc(C#N)nc1 1121206055 UFVMMDWDUQAZAR-ZDUSSCGKSA-N 319.365 -0.241 30 20 DBED Cn1ccc(C(=O)NC[C@H](CO)N=c2cc[nH]c(C#N)n2)c1 1121296988 YYSRFQYIGYEDDJ-LLVKDONJSA-N 300.322 -0.689 30 20 DBED COCC[C@@H](C)C(=O)NC[C@@H](CO)Nc1cnc(C#N)cn1 1121610403 ZVDBTYQUKBMJKO-PWSUYJOCSA-N 307.354 -0.090 30 20 DBED C[C@@H]1CC[C@H](C(=O)NC[C@H](CO)Nc2ccc(C#N)nn2)O1 1122659537 QHSIVRSRKZXOCO-YUSALJHKSA-N 305.338 -0.195 30 20 DBED CC(=O)NCC(=O)N1C[C@H](Nc2nccnc2C#N)C[C@H]1C 1123120614 GYDBHGSKQHSMGI-MWLCHTKSSA-N 302.338 -0.114 30 20 DBED CC(C)(C)n1nnnc1CNCCNC(=O)CSCC#N 1123787323 LSMPNTIDJVZSHG-UHFFFAOYSA-N 311.415 -0.109 30 20 DBED C[C@H](NCCNC(=O)CSCC#N)C(=O)Nc1ncccn1 1123792194 MGERDQWUTJRYBQ-JTQLQIEISA-N 322.394 -0.234 30 20 DBED CCC(=O)NCC(=O)N(C)C[C@H](O)CNc1ncccc1C#N 1124184160 FIJXIBXJGGQTIT-GFCCVEGCSA-N 319.365 -0.289 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]cc1C#N)C(=O)c1cocn1 1124199862 GFRWQBWSVDXHHS-LLVKDONJSA-N 301.306 -0.092 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)CC(F)(F)F 1124424945 IWKFETJMRORBDY-UHFFFAOYSA-N 310.276 -0.344 30 20 DBED COC[C@H](C)OC[C@H](O)CNCCNC(=O)c1c[nH]c(C#N)c1 1125988078 KXOUZAGXYDVJIS-SMDDNHRTSA-N 324.381 -0.382 30 20 DBED COCCN(CCNC(=O)[C@@H]1CCOC1)c1ccnc(C#N)n1 1126247372 RIYJIQUWFVDJSU-GFCCVEGCSA-N 319.365 -0.046 30 20 DBED C#CCOCCC(=O)NCCNCC(=O)N1CCC(C)CC1 1127026999 CSZIDGVPZUSUNK-UHFFFAOYSA-N 309.410 -0.009 30 20 DBED CCn1ncc(Cl)c1C(=O)NCCNCC(=O)NCC#N 1128128943 ANWZVORAESBRCL-UHFFFAOYSA-N 312.761 -0.484 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1ncnc2ccsc12 1128954972 IOVREUCQAOZQAH-UHFFFAOYSA-N 317.374 -0.240 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1c(Cl)n[nH]c1C 1129012530 MZSHFCFCCUIKHR-VIFPVBQESA-N 311.773 -0.171 30 20 DBED C=CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H](COC)OC)C1 1129243743 UTJBRFKRKCFFII-RDBSUJKOSA-N 323.397 -0.143 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)COCCOCC)C1 1129471108 UDCBAPZZNVBUDU-KGLIPLIRSA-N 321.381 -0.694 30 20 DBED C=CCN1CCOC[C@H]1c1n[nH]c(CNC(=O)CC(=O)NC)n1 1130845049 AWSZIOGLEFMJLB-JTQLQIEISA-N 322.369 -0.884 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@]12CCCC[C@H]1OCC2 1131211288 BZQNJOHTVZOOJN-CJNGLKHVSA-N 307.394 -0.209 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)[C@H](COC)OC)CC1 1131383747 XWLUOVSTYSGDRI-ZDUSSCGKSA-N 313.398 -0.516 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)Cc2cc[nH]n2)CC[C@@H]1C 1131917519 IBJWOYNHMDRDIJ-JSGCOSHPSA-N 317.393 -0.329 30 20 DBED C=CCN1C[C@@H](NC(=O)CNC(=O)CNC(C)=O)CC[C@H]1C 1132139820 BXLHTIDRRQXKHP-YPMHNXCESA-N 310.398 -0.606 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)C[C@H]2CCC(=O)N2C)C1=O 1132256937 GLMLRPPXEXHTGV-CHWSQXEVSA-N 322.409 -0.510 30 20 DBED C#CCNC(=O)CNCCNC(=O)Cc1csc(COC)n1 1147168079 PDDCBJUBWVLPCH-UHFFFAOYSA-N 324.406 -0.713 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)C(=O)N2CC[C@H](C)C2)C1=O 1147175059 IJUHKTPDTJJXHI-STQMWFEESA-N 322.409 -0.653 30 20 DBED C#CCCN1CCC2(C1)CN(C(=O)CCNS(C)(=O)=O)C2 1147665932 XTOLIXKTHSDPEF-UHFFFAOYSA-N 313.423 -0.517 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)[C@@]1(C)CCOC1)C2 1148481306 YRGKCMVXGXYJCO-INIZCTEOSA-N 319.405 -0.303 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)c2nnn(C)c2C)C1=O 1156107481 QEHXXCGSWKDCNZ-LBPRGKRZSA-N 320.397 -0.380 30 20 DBED Cc1cc(=O)oc(C)c1C(=O)NCCCNCC(=O)NCC#N 1162151550 ZCOHBKCPRJOBKK-UHFFFAOYSA-N 320.349 -0.394 30 20 DBED C#CCNC(=O)CNCCCNC(=O)Cc1ccc(O)nc1 1162736320 JRWBVTPWGIVZGX-UHFFFAOYSA-N 304.350 -0.825 30 20 DBED C#CCNC(=O)CNCCCC[C@@H](C)NC(=O)CC(=O)NCC 1170302729 CDMMRZWYOOLLPM-CYBMUJFWSA-N 324.425 -0.473 30 20 DBED C=CCNC(=O)CNCCCNC(=O)COCc1cccnc1 1174721945 HFJPATAVWIZDJX-UHFFFAOYSA-N 320.393 -0.004 30 20 DBED C=CCNC(=O)CNCCCC[C@H](C)NC(=O)c1nnn(C)n1 1174759706 ZYUDYBPBWWXIRF-NSHDSACASA-N 323.401 -0.610 30 20 DBED C=CCNC(=O)CNCCCNC(=O)Cn1ccccc1=O 1175744434 DPHINXAIDJZJHL-UHFFFAOYSA-N 306.366 -0.754 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)[C@H]2CCN(C)C2)C1=O 1176057058 MLZDNGBJGBTTPI-UONOGXRCSA-N 308.426 -0.179 30 20 DBED C[C@@H](CCCCNCC#N)NC(=O)CN1CC(=O)N(C)C1=O 1176135103 DBOSQTLAWPXHLJ-NSHDSACASA-N 309.370 -0.331 30 20 DBED COCC#CCN1CCO[C@@H]2CCN(C(=O)CNC(C)=O)C[C@@H]21 1176892760 GVMNBFWLRMXOGO-LSDHHAIUSA-N 323.393 -0.926 30 20 DBED C#CCNC(=O)CNC[C@]1(C)CN(C(=O)[C@@H]2CCCO2)C[C@H]1C 1180496384 RGWIXWBTPAGBCB-JKIFEVAISA-N 321.421 -0.011 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)CN2CCC[C@@H]2C)C1 1185650564 JDMUZXGHOCPZHD-UONOGXRCSA-N 306.410 -0.589 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H](C)c2cnn(C)c2)C1 1188529445 YJSIGTJMRORJCM-GXTWGEPZSA-N 317.393 -0.537 30 20 DBED Cc1ncncc1C(=O)N1CC[C@H](N(C)CC(=O)NCC#N)C1 1189022762 NZWSUWWDWKLZDA-LBPRGKRZSA-N 316.365 -0.429 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2cncn2C)C1 1191170250 LHSLKZQUNHFYBF-LBPRGKRZSA-N 303.366 -0.684 30 20 DBED COCC1(C(=O)N2CC[C@H](N(C)CC(=O)NCC#N)C2)CCC1 1191415686 YDSXBWBEWQEDTB-ZDUSSCGKSA-N 322.409 -0.024 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2n[nH]cc2F)C1 1192206369 NXJIHXXWKUQTTG-SNVBAGLBSA-N 309.345 -0.003 30 20 DBED C#CCCCCC(=O)N[C@@H]1CN([C@@H]2CCN(CC)C2=O)C[C@H]1O 1192328243 CTDNHDWGUKMCGL-RBSFLKMASA-N 321.421 -0.038 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(Cc2cnns2)C[C@H]1O 1192530879 QQDOZSUAHZDFPH-NQBHXWOUSA-N 312.395 -0.474 30 20 DBED C=CCCN(C)[C@@H]1CCN(C(=O)CN2CC(=O)N(C)C2=O)C1 1193441313 GJDYUQGSGNILCW-GFCCVEGCSA-N 308.382 -0.011 30 20 DBED C#CCN(C)[C@H]1CCN(C(=O)CNS(=O)(=O)CCCC)C1 1193736365 MTAVZQJCRQIXDJ-ZDUSSCGKSA-N 315.439 -0.128 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)C(CC)CC)C1 1194308251 ITXCSDDROGQTGL-NWANDNLSSA-N 323.437 -0.031 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 1195980756 FHFLPSVUVWTFKT-RBSFLKMASA-N 313.442 -0.064 30 20 DBED COCC#CCN1CCCN(C(=O)[C@]2(C)CNC(=O)C2)CC1 1196601952 CZLWBHROISXZME-INIZCTEOSA-N 307.394 -0.303 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)[C@]2(C)CCC(=O)N2)CC1 1197082186 DDRYFWYMRTYEAH-INIZCTEOSA-N 322.409 -0.508 30 20 DBED C=CCN1CCCN(C(=O)[C@H](CCC(N)=O)NC(C)=O)CC1 1197460407 DPJCIWPJMLNWJX-ZDUSSCGKSA-N 310.398 -0.523 30 20 DBED C[C@H](C(=O)N1CCC(NCC(=O)NCC#N)CC1)n1cccn1 1199406813 KMYQNGINFTZKCM-GFCCVEGCSA-N 318.381 -0.336 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC(NCc2cn(C)nn2)CC1 1200531255 BINODWIHBASENQ-GFCCVEGCSA-N 305.382 -0.066 30 20 DBED C#CCNC[C@H]1CN(C(=O)[C@H](OC)c2cnn(C)c2)CCCO1 1201081618 YFZCKFQZZGWTDP-LSDHHAIUSA-N 320.393 -0.052 30 20 DBED C#CCNC(=O)[C@H](C)NCC1CCN(C(=O)c2ncc[nH]2)CC1 1205204222 ZHWHLQQKDKZRHP-LBPRGKRZSA-N 317.393 -0.011 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCC[C@@H](NCc2nc(=O)n(C)[nH]2)C1 1207950260 JCRKKHCEGVOJJW-IAQYHMDHSA-N 323.397 -0.484 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)Cc2ncc[nH]2)C1 1210305138 SXEZOVOTWKJQFR-GFCCVEGCSA-N 305.382 -0.165 30 20 DBED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)c1ccn(C)c1 1212116596 CNTKEDHDBURLST-CHWSQXEVSA-N 319.365 -0.906 30 20 DBED C=CCOCCN1C[C@@H](NC(=O)c2cnn(C)n2)[C@H](OC)C1 1213569636 SRLBWYRYUSMEBR-CHWSQXEVSA-N 309.370 -0.553 30 20 DBED C=CCOCC(=O)N1C[C@@H](N[C@H](C)C(=O)NC(N)=O)[C@H](C)C1 1214330262 WCOZBYZNSYNQIY-GMTAPVOTSA-N 312.370 -0.791 30 20 DBED C[C@@H]1CN(C(=O)c2cncc(F)c2)C[C@H]1NCC(=O)NCC#N 1214426780 JCAKWIXFJGCZSF-ZWNOBZJWSA-N 319.340 -0.089 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](NCCCOCC)[C@H](C)C1 1214473208 AWYSRVRTDDDCNS-ZIAGYGMSSA-N 309.410 -0.011 30 20 DBED C#CCC1(C(=O)N[C@@H]2CN(Cc3n[nH]c(C)n3)C[C@@H]2O)CCC1 1219785011 AAIBWZGEUUMVBQ-OLZOCXBDSA-N 317.393 -0.032 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)Cc2cnc(C)o2)C1 1219792895 YSXLUZCNRWRRPF-KGLIPLIRSA-N 309.366 -0.111 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)Cc2occc2C)C1 1220315415 YLAUDJPXUKEEAL-KGLIPLIRSA-N 306.362 -0.058 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2oncc2C)C1 1220676046 JVZKAUYYZZOOMS-MNOVXSKESA-N 308.338 -0.940 30 20 DBED N#CCNC(=O)CN1CC[C@@H]2CCN(C(=O)c3cocn3)C[C@@H]21 1222432469 PQCOSCGPAJXOML-YPMHNXCESA-N 317.349 -0.149 30 20 DBED CC#CCN1CCC(CNC(=O)CN2C(=O)CNC2=O)CC1 1225372108 HHLIMNZRRKFPOC-UHFFFAOYSA-N 306.366 -0.610 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)[C@@]2(C)CNC(=O)C2)CC1 1228402792 SQECNQJKKGSSMX-MRXNPFEDSA-N 322.409 -0.605 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@@H]1CN(C)C(=O)Cc1ccon1 1231395839 OZXPXOYNCBGYQS-TZMCWYRMSA-N 318.377 -0.112 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C[C@@H]1CCN1Cc1nc(=O)n(C)[nH]1 1234215716 OXYDXOODZVQXOV-NEPJUHHUSA-N 321.381 -0.821 30 20 DBED C#CCC[C@H](O)CNC(=O)C(=O)Nc1ccc(C(=O)NC)cc1 1256559768 GOHGRMOPDHNYKV-ZDUSSCGKSA-N 317.345 -0.125 30 20 DBED C=CCn1cc(C(=O)NC[C@@H](CO)Cc2cnn(C)c2)nn1 1261546040 VMUBBRSXZGPDQA-LBPRGKRZSA-N 304.354 -0.221 30 20 DBED C[C@]1(c2nccs2)NC(=O)N(CC(=O)NCCC#N)C1=O 1261598712 HJGYTTOTJIFAIP-GFCCVEGCSA-N 307.335 -0.060 30 20 DBED CN1C(=O)CN(NC(=O)C(=O)Nc2cccc(C#N)c2)C1=O 1320588663 CAARHNJVLPPWFH-UHFFFAOYSA-N 301.262 -0.578 30 20 DBED C[C@H](Cn1ccnc1)NC(=O)C(=O)NC1CCN(CC#N)CC1 1321630825 MWVGLRJKOGZGDZ-GFCCVEGCSA-N 318.381 -0.508 30 20 DBED C=CCCOCCNC(=O)C(=O)N1CCC[C@@H](OCCO)C1 1324105961 YIJAUESEWGUCFL-CYBMUJFWSA-N 314.382 -0.305 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N(C)[C@H]1CCNC1=O 1324181836 QRHHVQFOCVVOBP-WOPDTQHZSA-N 309.366 -0.569 30 20 DBED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1cccc(C(N)=O)n1 1327029905 PJHZCKPNOPNGBB-SECBINFHSA-N 304.306 -0.991 30 20 DBED C[C@H](O)CN(C(=O)C(=O)NCC#Cc1ccccc1)[C@@H](C)CO 1327377617 AHVNDRRORMBPSE-KBPBESRZSA-N 318.373 -0.256 30 20 DBED N#CC[C@]1(O)CCN(C(=O)NCCCN2C(=O)CCC2=O)C1 1328130485 DQLYZHQBRWXPRC-AWEZNQCLSA-N 308.338 -0.414 30 20 DBED COC[C@](C)(C#N)NC(=O)[C@@H](CO)NC(=O)OC(C)(C)C 1329359823 CALNAETVDGFLDH-RNCFNFMXSA-N 301.343 -0.083 30 20 DBED C=C[C@@H]1CCCCN1C(=O)C(=O)N1C[C@@H](O)C[C@H](C(=O)OC)C1 1329452863 FUBYKSXJXTXGGE-XQQFMLRXSA-N 324.377 -0.064 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1C[C@@](C)(CO)[C@@](C)(CO)C1 1330309316 IKMIPBDKURGVNW-DFBGVHRSSA-N 314.382 -0.857 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CCC[C@H](C#N)C2)C1=O 1335543949 MYRJPMDQKPYXTN-OLZOCXBDSA-N 318.377 -0.006 30 20 DBED C#CCCn1nnnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1335700297 KNBVXJDRWQJXDB-NSHDSACASA-N 312.399 -0.538 30 20 DBED CC[C@@H](CN1CCOCC1)NC(=O)C(=O)N1CCC[C@H](C#N)C1 1336240881 KLYGANDIQUQQQF-KGLIPLIRSA-N 322.409 -0.024 30 20 DBED Cn1c(CCCC#N)nnc1N1CCN(S(C)(=O)=O)CC1 1339916521 NIRPRZRAPVIHGE-UHFFFAOYSA-N 312.399 -0.257 30 20 DBED N#Cc1ccc(CNC(=O)C(=O)N2CCn3cnnc3C2)cc1 1341409700 LHGDHDPIQAAHQI-UHFFFAOYSA-N 310.317 -0.192 30 20 DBED COc1cnc(NC(=O)Cn2cc(C#N)c(O)nc2=O)s1 1362652568 BJIMKLAKCULUOU-UHFFFAOYSA-N 307.291 -0.076 30 20 DBED COC(=O)C1(C#N)CCN(C(=O)NCc2cn(C)nn2)CC1 1365651393 BVEBYYNZRWGWTE-UHFFFAOYSA-N 306.326 -0.197 30 20 DBED Cn1nnc(NC(=O)N(CCC#N)CCN2CCOCC2)n1 1366621281 CDVHUQSIGAFFPU-UHFFFAOYSA-N 308.346 -0.710 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)c2ncccc2O)C1 1380133679 MMNQLXGJACYRIX-BONVTDFDSA-N 318.333 -0.360 30 20 DBED Cc1nonc1CN1CC(O)(CNC(=O)c2cc(C#N)c[nH]2)C1 1380576712 DNORZXGFLLAMEO-UHFFFAOYSA-N 316.321 -0.446 30 20 DBED C[C@@H](C#N)C(=O)NCC1CN(C(=O)CCS(C)(=O)=O)C1 1389924718 TUQNOEIGJZVHFZ-VIFPVBQESA-N 301.368 -0.845 30 20 DBED C[C@H](C#N)C(=O)N(C)CCN(C)C(=O)c1cn(C)c(=O)nc1O 1391831665 RAONZLBOEDQCIV-SECBINFHSA-N 321.337 -0.824 30 20 DBED CN(C[C@@H](O)CNC(=O)CC(C)(C)O)C(=O)c1cc(C#N)c[nH]1 1396002091 SULFFVLUQFSFQI-NSHDSACASA-N 322.365 -0.404 30 20 DBED CNC(=O)NCC(=O)NC[C@H]1CCN1C(=O)c1ccc(C#N)[nH]1 1400425159 WDYVVTJEBSVUCA-SNVBAGLBSA-N 318.337 -0.854 30 20 DBED CC(=O)N[C@H](C)C(=O)NC1CN(C(=O)c2ccc(C#N)[nH]2)C1 1409026532 WILIPZSDSPFKES-MRVPVSSYSA-N 303.322 -0.648 30 20 DBED C[C@H](CNCc1ccc(C#N)cc1F)NC(=O)Cn1ncnn1 1420296584 XZYRFPJDQMEKEE-SNVBAGLBSA-N 317.328 -0.022 30 20 DBED CC(C)Cc1noc(CNC[C@H](O)CNC(=O)[C@H](C)C#N)n1 1422267376 RMVVFJHKZSXQIM-MNOVXSKESA-N 309.370 -0.006 30 20 DBED Cn1cc(C[C@H](CO)NS(=O)(=O)CC(C)(C)C#N)cn1 1424261277 VYUAORSEZGZYII-LLVKDONJSA-N 300.384 -0.207 30 20 DBED C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1NCCS(C)(=O)=O 1424465943 QIGFLOUTTHTPPJ-MFKMUULPSA-N 324.406 -0.019 30 20 DBED COCCN(CCNC(=O)Cc1nonc1C)C(=O)[C@@H](C)C#N 1426073927 VVGWBQLCXJCDPS-JTQLQIEISA-N 323.353 -0.329 30 20 DBED CNC(=O)c1ccc(C(=O)NC[C@@H](C)NC(=O)[C@@H](C)C#N)cn1 1430671571 AKXHZNJESIIMDS-VHSXEESVSA-N 317.349 -0.165 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@@H](C)CNC(=O)C(C)(C)S(C)(=O)=O 1442964433 RPBUZMBETROKLY-UWVGGRQHSA-N 317.411 -0.068 30 20 DBED CCN(CCC#N)C(=O)CN1CC(NC(=O)C[C@@H](C)OC)C1 1443463136 PMLBEFLETFQJFM-GFCCVEGCSA-N 310.398 -0.026 30 20 DBED CC(C)OC(=O)C(C)(C)NS(=O)(=O)N1CCO[C@@H](C#N)C1 1475768720 JGUFGJRATLBWME-JTQLQIEISA-N 319.383 -0.225 30 20 DBED Cc1nc(C)c(C(=O)N2CC[C@H](NCC(=O)NCC#N)C2)[nH]1 1566773717 OYBOSDIKGLSKTH-NSHDSACASA-N 304.354 -0.530 30 20 DBED C=CCOCC(=O)N1CC[C@H]([C@@H](C)NC(=O)CNC(=O)O)C1 1573369601 WSHQRRCPUICIOL-MNOVXSKESA-N 313.354 -0.190 30 20 DBED CC(C)[C@@H](NC(=O)CCn1cc(C#N)c(O)nc1=O)C(=O)O 1573552799 FGRXPRSANCGLOL-SNVBAGLBSA-N 308.294 -0.564 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H](C)NC(=O)CCCc1cnn[nH]1 1575014197 XTHGPXNWCDBQNR-VXGBXAGGSA-N 321.381 -0.213 30 20 DBED N#CC1(C[C@@H](O)CN2CCOC[C@]2(CN)CO)CCOCC1 1580038983 XCTHLVZLOQXBLG-HIFRSBDPSA-N 313.398 -0.920 30 20 DBED COC(=O)CCN(CC#N)C(=O)c1ccc(-c2nn[nH]n2)o1 1591264287 FWYVIWAOVYYLPQ-UHFFFAOYSA-N 304.266 -0.011 30 20 DBED C[C@@H](C(=O)N1CCN(CCC(=O)O)[C@H](C)C1)n1cnc(C#N)n1 1594462165 DVUKTHSVKYAXFA-MNOVXSKESA-N 320.353 -0.282 30 20 DBED CN(C(=O)c1c[nH]c(C#N)c1)C1CN(C(=O)[C@@H]2C[C@H]2C(=O)O)C1 1598071923 DNSXWUSVXFAQAI-VXGBXAGGSA-N 316.317 -0.110 30 20 DBED CO[C@H](Cn1c(=O)c(C#N)cn(CC(=O)O)c1=O)[C@@H]1CCOC1 1604480911 PWNDDJIOKKADCO-MWLCHTKSSA-N 323.305 -0.982 30 20 DBED CC[C@@H](C(=O)O)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1604874304 WHGKBMCZCBCRBY-YGOYTEALSA-N 300.336 -0.506 30 20 DBED N#C[C@@H]1CNC[C@@H]1NC(=O)CS[C@@H]1CCS(=O)(=O)C1 1645883556 SDACBAYJIRIKFK-BBBLOLIVSA-N 303.409 -0.866 30 20 DBED COc1c(C(=O)NCCN2CCN(CC#N)CC2)cnn1C 1752374803 CUOSWCNPVOKKOR-UHFFFAOYSA-N 306.370 -0.700 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@H](NC(=O)c2cc(OCC)n[nH]2)C1 1752641147 DDRNTSJYBPZCGG-XYPYZODXSA-N 319.365 -0.592 30 20 DBED C#CCNC(=O)CN[C@H](C)CNC(=O)c1nn(CC)nc1C 1752924524 OVHDFYHTXDAXLF-SNVBAGLBSA-N 306.370 -0.936 30 20 DBED CCN(CCNC(=O)C[C@@H]1CCN(C)C1)CC(=O)NCC#N 1753093554 ZSIDECOTQJBCHU-ZDUSSCGKSA-N 309.414 -0.594 30 20 DBED N#CCNC(=O)CN(CCNC(=O)c1cncnc1)C1CC1 1753153996 NDNLVFHHYNLJDV-UHFFFAOYSA-N 302.338 -0.689 30 20 DBED C#CCNC(=O)CN1CC(CNC(=O)[C@H](C)OCC2CC2)C1 1753397231 JYBBOKGWYNFQPE-LBPRGKRZSA-N 307.394 -0.401 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1CN(CCNC(=O)C2CC2)C1 1753401007 PTRMBZIDBIUHQY-MRXNPFEDSA-N 309.410 -0.112 30 20 DBED C#CCNC(=O)[C@H](C)N1CC(CNC(=O)Cc2[nH]cnc2C)C1 1753414584 PHDRWENCMXHYFO-LBPRGKRZSA-N 317.393 -0.553 30 20 DBED CC[C@@H](CNC(=O)[C@H]1CCN(C)[C@@H](C)C1)NCC(=O)NCC#N 1753483569 KBJKKMTZPRQHQT-IHRRRGAJSA-N 323.441 -0.159 30 20 DBED C#CCOCCC(=O)NC[C@@H](C)CN[C@H]1CCCN(C)C1=O 1753613160 RCPZMBGTXRUJKE-KBPBESRZSA-N 309.410 -0.011 30 20 DBED C[C@H](CS(C)(=O)=O)C(=O)NC[C@@H]1CN(CC#N)CCO1 1753658287 OTKPOHPEPWXJIF-GHMZBOCLSA-N 303.384 -0.992 30 20 DBED C#CCNC(=O)CNC[C@H](C)N(C)C(=O)[C@H](NC(C)=O)C(C)C 1753721130 MMXKKJCDBCEBLK-SWLSCSKDSA-N 324.425 -0.667 30 20 DBED CN(CC#N)CCN(C)C(=O)[C@@H]1COCCN1CC(F)F 1753858666 KRTDNHJFLLGQTL-NSHDSACASA-N 304.341 -0.134 30 20 DBED CCCOCC(=O)N1CC[C@@H]2[C@@H](CCN2CC(=O)NCC#N)C1 1753870740 GBHUVLWJUFBPCG-UONOGXRCSA-N 322.409 -0.024 30 20 DBED C#CCCNC[C@@H](O)CNC(=O)c1ccc2nc(O)[nH]c2n1 1753926857 YJOYBHQFIVFFRE-SECBINFHSA-N 303.322 -0.633 30 20 DBED C#CCNC(=O)CNC/C=C/CNC(=O)[C@H]1CCCCN1C 1754139897 TYCIMCJHSLSJRQ-VBROQKIQSA-N 306.410 -0.518 30 20 DBED CC#CCNC1(CNC(=O)C2(n3cnnn3)CCOCC2)CC1 1754528761 UZWKHYGCKWLLBS-UHFFFAOYSA-N 318.381 -0.560 30 20 DBED COCC#CCNC1(CNC(=O)c2cccnc2C(N)=O)CC1 1754534235 IUPIABPWFHDKAK-UHFFFAOYSA-N 316.361 -0.318 30 20 DBED C#CCN1CC[C@@](O)(CNC(=O)c2ccc3ncn(C)c3n2)C1 1754757640 OOAQJJKSFPKKEF-MRXNPFEDSA-N 313.361 -0.232 30 20 DBED C#CCCN1CCC[C@@](CO)(NC(=O)CN2C(=O)CCC2=O)C1 1754862135 QMJMKVHFSSXAJI-MRXNPFEDSA-N 321.377 -0.898 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ncc[nH]1 1754866002 SUADDMTUAVKHAQ-QWHCGFSZSA-N 315.377 -0.162 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCCN(C(=O)c3nc[nH]n3)[C@@H]2C1 1754873217 AJFZJALRFPPQOR-NWDGAFQWSA-N 316.365 -0.910 30 20 DBED C#CCNCC1(NC(=O)[C@H]2CCCC(=O)N2C)CCOCC1 1755099610 LGKIPZVNJRNBNA-CYBMUJFWSA-N 307.394 -0.115 30 20 DBED CC(=O)NCCOCCN[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1C 1755109488 VWNKBUGPYYCPBQ-XJKSGUPXSA-N 321.421 -0.011 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@@H]1C 1755118738 RUXARUKUQVMZLI-CMPLNLGQSA-N 306.370 -0.833 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@H]1C[C@H](NC(=O)c2nonc2C)C1 1755484591 VOCAGHNRVLZJNZ-IJLUTSLNSA-N 319.365 -0.386 30 20 DBED CN(CC#N)C1CCN(C(=O)CN(C)S(C)(=O)=O)CC1 1755529942 MTWBCSFAEZZSLU-UHFFFAOYSA-N 302.400 -0.676 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@@H](C)N(C(=O)CC2OCCCO2)C1 1755672756 CKFAYZKGYOUAPT-OLZOCXBDSA-N 323.393 -0.532 30 20 DBED CCS(=O)(=O)N[C@H](C)C(=O)N1C[C@@H](NCC#N)C(C)(C)C1 1755758671 CCFJMEAKPBHJOQ-GHMZBOCLSA-N 316.427 -0.336 30 20 DBED CC(C)C(C)(C)C(=O)N(C)C[C@@H](O)CNCC(=O)NCC#N 1755780508 IBTCVNNJAVAAMN-LBPRGKRZSA-N 312.414 -0.283 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H](CNC(=O)CC(N)=O)C(C)(C)C 1756709215 IBGFSZBRUWEWHD-ZUZCIYMTSA-N 313.398 -0.164 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2C=C)C[C@H]1O 1756986219 DBTRANTZTJQGLM-SYQHCUMBSA-N 324.377 -0.532 30 20 DBED C=C(C)CCC(=O)N1C[C@@H](NC(=O)[C@@H]2CNC(=O)N2)[C@H](OC)C1 1757146417 SPJMIFSNFPSMFY-QJPTWQEYSA-N 324.381 -0.634 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1ccnc1 1794870505 ZZWRXNCCGYYNIJ-JJLQDPRZSA-N 302.334 -0.894 30 20 DBED Cn1c(N[C@@H](C(N)=O)c2ccccc2)c(C#N)c(=O)n(C)c1=O 14301563 LYGCEHPIWYTJKB-LLVKDONJSA-N 313.317 -0.406 30 20 DBED C=C(C)CN(CC)CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1 16338896 KYFYGWHAPJWKFP-NSHDSACASA-N 317.411 -0.103 30 20 DBED Cc1nnc(N2CCC[C@@H](CNS(N)(=O)=O)C2)c(C#N)c1C 76269982 DJEZZJPDLNBZCD-NSHDSACASA-N 324.410 -0.025 30 20 DBED C#CC[C@H](NC(=O)[C@H]1CCCCN1S(C)(=O)=O)C(=O)O 149967409 RFOXYKIZQGDNAV-VHSXEESVSA-N 302.352 -0.607 30 20 DBED CNC(=O)C1CN(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)C1 184908119 FGZGKUIMCJVEJS-UHFFFAOYSA-N 304.281 -0.160 30 20 DBED N#C[C@H]1CN(C(=O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)CCO1 264521433 XDJJWUPKUGOCEI-SDDRHHMPSA-N 305.334 -0.087 30 20 DBED N#CCN1CCN(C(=O)Cc2ccc(-n3cnnn3)cc2)CC1 265753785 KEMFZBIKFOUUNP-UHFFFAOYSA-N 311.349 -0.127 30 20 DBED COC(=O)C[C@@H]1CN(CC(=O)N(CCC#N)CCC#N)CCO1 267859090 YBJBIYIUJMOPGK-CYBMUJFWSA-N 322.365 -0.094 30 20 DBED CC[C@H](C#N)NC(=O)[C@H](C)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 270253381 GFHXTFAZECKVHQ-KICZLOJDSA-N 305.334 -0.044 30 20 DBED C=CCS(=O)(=O)CCNC(=O)NCCN(CC)CCO 274441575 QGHYJWQTDLYMCT-UHFFFAOYSA-N 307.416 -0.799 30 20 DBED C#CCOc1ccccc1NC(=O)C(=O)N1CC[C@@H](C(N)=O)C1 274839748 RWKMBLQUYIUYMF-LLVKDONJSA-N 315.329 -0.029 30 20 DBED C#C[C@@H](NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)C(C)C 282078960 NIEWLYFPRGTFEE-SNVBAGLBSA-N 317.349 -0.792 30 20 DBED N#Cc1cccc(NC(=O)NCCOCCS(N)(=O)=O)c1 285520244 DVKXUXQTJNTSPE-UHFFFAOYSA-N 312.351 -0.015 30 20 DBED N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@@H]2CCC[C@H]2O)cc1 291232027 ITQNXVMHHWUODY-CHWSQXEVSA-N 323.374 -0.134 30 20 DBED O=S1(=O)CCC[C@H]1CN/C(O)=N/CCN1CCOCC1 330040889 CFLIZNRHWQIHID-NSHDSACASA-N 305.400 -0.601 30 20 DBED O=C(C/N=C(/O)[C@@H]1COCCN1CC(F)F)N1CCOCC1 330127515 MXZXMHQOXJLZTB-JTQLQIEISA-N 321.324 -0.232 30 20 DBED O=C(C/N=C(/O)N1CCC[C@@H](OCCO)C1)N1CCOCC1 331214610 BRVOINBFEDRRLQ-GFCCVEGCSA-N 315.370 -0.768 30 20 DBED N#Cc1ncn(CC(=O)N2CCN(Cc3cscn3)CC2)n1 331828545 JKGDPYNKIKCAPO-UHFFFAOYSA-N 317.378 -0.049 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N1CCC(S(N)(=O)=O)CC1 341197931 XZBHKDMAMWMPNI-SECBINFHSA-N 318.399 -0.860 30 20 DBED COC(=O)Cn1cc(S(=O)(=O)N[C@H](C#N)C(C)C)cn1 345631108 LCQIVEFKQJBRRX-SNVBAGLBSA-N 300.340 -0.117 30 20 DBED COC(=O)[C@H](O)CNC(=O)[C@H](C#N)Cc1ccc(C#N)cc1 350703333 UKPZPXJKJUMENX-QWHCGFSZSA-N 301.302 -0.109 30 20 DBED CC(C)n1cc(C#N)c(NC(=O)C(=O)NC[C@@](C)(O)C2CC2)n1 359182667 DQOMRWKTPSBFIT-OAHLLOKOSA-N 319.365 0.551 30 20 DBED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NCCN2CCC2)n1 359351509 PMECOMVIYFGVOW-UHFFFAOYSA-N 318.381 0.270 30 20 DBED C[C@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)N(C)C[C@@H](C)C#N 410939063 QOUDRWNDCWQFJX-STQMWFEESA-N 324.425 -0.092 30 20 DBED C=C(C)COCCNC(=O)N1CCS(=O)(=O)[C@@H](C(=O)O)C1 424411615 OTQSIOAPXMDZHW-SNVBAGLBSA-N 320.367 -0.528 30 20 DBED C#CCN1CCN(C(=O)CN2C[C@@H]3[C@@H](C2)[C@H]2C=C[C@H]3O2)CC1 491782859 MVIJYHHSTDXORW-KLHDSHLOSA-N 301.390 -0.351 30 20 DBED N#Cc1ccc(C(=O)NCCCN2CCNC(=O)C2)cc1O 526944282 RZDKPJBQHYIUDT-UHFFFAOYSA-N 302.334 -0.184 30 20 DBED N#CCCn1ccc(NC(=O)[C@H]2CCc3nnnn3CC2)n1 574920390 JPZNRSLWBFOVAG-JTQLQIEISA-N 300.326 0.374 30 20 DBED CC1(C)C[C@H](O)CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)C1 581499989 ZRFCEDWUOVXKQE-VXGBXAGGSA-N 317.411 -0.062 30 20 DBED C[C@@H]1CN(S(=O)(=O)CC2(C#N)CCC2)C[C@H](C(N)=O)O1 582275919 DOSBRBXCFOMONQ-NXEZZACHSA-N 301.368 -0.415 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)NCc1nc(C(N)=O)cs1 594864604 RZONJHUYGXAXEL-ZETCQYMHSA-N 317.396 -0.332 30 20 DBED N#Cc1ccc(NCC(=O)N2CCN([C@H]3CCOC3)CC2)nc1 598151016 NAYGFTMDRFPGGS-AWEZNQCLSA-N 315.377 0.298 30 20 DBED CC(C)NC(=O)CN(C)CC(=O)N1CCN(CCC#N)CC1 602210740 UXPFFTBKSRSUSJ-UHFFFAOYSA-N 309.414 -0.499 30 20 DBED N#Cc1ccc(CS(=O)(=O)CC(=O)NC2=NCC(=O)N2)cc1 604185033 QVEWVZPLTQMLHP-UHFFFAOYSA-N 320.330 -0.925 30 20 DBED CC#CC[C@H](CO)NC(=O)NC1CCN(S(C)(=O)=O)CC1 645142555 HPRQSUOMSNELMF-GFCCVEGCSA-N 317.411 -0.516 30 20 DBED C=CCN1CCC(NC(=O)c2nc(N(C)C)nc(=N)[nH]2)CC1 653019286 VDGOOLJOSMTYEM-UHFFFAOYSA-N 305.386 -0.270 30 20 DBED C=C[C@@H](O)C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 667913414 JOSIYOQISJYONI-GFCCVEGCSA-N 319.365 -0.822 30 20 DBED N#CCCN(CCN1CCOCC1)C(=O)CCN1CCOCC1 725713501 IBKXHKNWKYBKBR-UHFFFAOYSA-N 324.425 -0.217 30 20 DBED C#C[C@H](NC(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1)[C@H]1CCCO1 776236112 XUXXGTDFYBSEIA-GARJFASQSA-N 306.322 -0.887 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N1CCC[C@@H](OCCO)C1 780600186 UMNAPZTUZISFTJ-GFCCVEGCSA-N 320.411 -0.230 30 20 DBED C#CCOCCNC(=O)C(=O)Nc1ccc(-n2nccn2)nc1 785151636 BQZLOBYAINLQMK-UHFFFAOYSA-N 314.305 -0.633 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@H]1CCc2c[nH]nc2C1)[C@@H]1CCCO1 806306017 ZISQEFSWASADGQ-OBJOEFQTSA-N 316.361 -0.320 30 20 DBED C#C[C@@H](NC(=O)C(=O)N1CCC2(C1)OCCO2)[C@H]1CCCO1 809309206 LYIBAHQHNKOGJP-VXGBXAGGSA-N 308.334 -0.741 30 20 DBED COC(=O)[C@@H](NC(=O)Cn1ccc(C=NO)nc1=O)C(C)C 809997322 VDJMAZARSHDWNL-NSHDSACASA-N 310.310 -0.635 30 20 DBED CN(C(=O)COC(=O)CCn1ncn(C)c1=O)C(C)(C)C#N 815272049 KIXXIURHIBIIFO-UHFFFAOYSA-N 309.326 -0.724 30 20 DBED O=C(N[C@H]1CCCN(O)C1=O)c1cnc2n(c1=O)CCS2 820470777 FVLBJAVWQSABLZ-QMMMGPOBSA-N 310.335 -0.541 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCCC[C@@H]1CNS(C)(=O)=O 822432975 PZQQTXNWFMEKLF-NWDGAFQWSA-N 302.396 -0.045 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2C[C@@H]2OCC)CC1 831556481 OVBQKDXQILACRA-RYUDHWBXSA-N 315.395 -0.977 30 20 DBED CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)N[C@@H]1CNC[C@@H]1C#N 834499928 ORTWGIWPUMZMMZ-YIZRAAEISA-N 306.288 -0.083 30 20 DBED C#CC[C@H](NC(=O)CN1C(=O)NC(CC)(CC)C1=O)C(=O)OC 837930093 QABWLPBSJYRXGN-JTQLQIEISA-N 323.349 -0.222 30 20 DBED C=CCONC(=O)N1CCN(S(=O)(=O)CCCOC)CC1 838708604 AGUFZLCPJIZXBG-UHFFFAOYSA-N 321.399 -0.203 30 20 DBED CN1CCN(C(=O)NCCNc2ncccc2C#N)[C@H](CN)C1 841738483 ZIXRHMMPQXDOSQ-CYBMUJFWSA-N 317.397 -0.351 30 20 DBED C#CCN(CC(=O)O)S(=O)(=O)c1ccc(C(=O)OC)nc1 849219137 JKFFBRVEXICJDK-UHFFFAOYSA-N 312.303 -0.423 30 20 DBED C#C[C@@H](NC(=O)N1C[C@@H]2COC[C@]2(C(=O)O)C1)[C@@H]1CCCO1 851650439 HCCFHYNWTGQHTK-MCYUEQNJSA-N 308.334 -0.090 30 20 DBED CN(C)CC#CCNC(=O)c1coc(S(=O)(=O)N(C)C)c1 913520410 OMEKCPSXJLPOND-UHFFFAOYSA-N 313.379 -0.175 30 20 DBED CN(CC(=O)NCCNc1ncccc1C#N)S(C)(=O)=O 918578264 UKGYQLHJDVWTOU-UHFFFAOYSA-N 311.367 -0.627 30 20 DBED C=CCNC(=O)[C@H](C)OC(=O)CCN1CCCS1(=O)=O 919440236 FPKWKWGXEPHPOE-JTQLQIEISA-N 304.368 -0.354 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@H](NC(=O)Cc3nc[nH]n3)C2)[nH]1 938899156 PBMYPVWNIDSGHK-JTQLQIEISA-N 313.321 -0.422 30 20 DBED CO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1NC(=O)c1cncn1C 942578510 DJTCNFUXZMIJRK-HOSYDEDBSA-N 305.338 -0.465 30 20 DBED C[C@H]1C[C@H](NC(=O)CN2CCCS2(=O)=O)CCN1CC#N 947365525 OLSLPLPWDZRJHZ-NWDGAFQWSA-N 314.411 -0.485 30 20 DBED C#CCN1CCC[C@@H](N(C)C(=O)CN2CCNC(=O)C2)CC1 948669276 DREFPACSVWWBND-CQSZACIVSA-N 306.410 -0.636 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)c1cn(C)nn1)CCO2 949086741 NKWNGBJHSTVVEB-UHFFFAOYSA-N 303.366 -0.245 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@@H]2CCN2C(=O)[C@H]2CCC(=O)N2)c1 949283865 SGTAGZSRHZAKJB-WDEREUQCSA-N 315.333 -0.504 30 20 DBED CC(=O)N1CCOC[C@@H]1C(=O)N(C)C1CN(C(=O)[C@@H](C)C#N)C1 954419779 XRSAGJUKPJTEFH-GXFFZTMASA-N 322.365 -0.937 30 20 DBED CC#CCN1C[C@H](CNC(=O)c2cn3c(n2)CCC3)[C@@H](O)C1 958081483 OZBRQJDNEGJXAW-JSGCOSHPSA-N 302.378 -0.125 30 20 DBED C#CCN1C[C@H]2C(NC(=O)CN3C(=O)CC(C)(C)C3=O)[C@@H]2C1 959889397 BWIPGLHVCSCOMC-GHMZBOCLSA-N 303.362 -0.549 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H]2CN(C(=O)c3cnn(C)c3)C[C@@H]21 960879700 FTVQAKPICKHANV-WCFLWFBJSA-N 317.349 -0.368 30 20 DBED C#CCN1C[C@H]2C(NC(=O)[C@H]3CN4CC5CC4(CO3)C5)[C@@H]2C1 961284290 SCQQYEANBJJDEC-DEWJTKQSSA-N 301.390 -0.471 30 20 DBED C#CCCN1C[C@H]2C(NC(=O)[C@@H]3CCCS(=O)(=O)C3)[C@@H]2C1 961907586 BYCIIGDRSRNNRL-JHJVBQTASA-N 310.419 -0.119 30 20 DBED C=C(C)CN1C[C@H]2[C@H](NC(=O)CN3C(=O)NC(=O)C3(C)C)[C@H]2C1 962188318 DAUPOCQIAVQZKV-PJXYFTJBSA-N 320.393 -0.061 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)CC)C[C@@H]2O)nn1 963303779 WVCNLKMYFJHPHJ-WZRBSPASSA-N 321.381 -0.188 30 20 DBED N#Cc1cc(C(=O)N[C@H]2CC23CCN(C(=O)C(N)=O)CC3)c[nH]1 963662898 CUTGFQXAPQUWPU-NSHDSACASA-N 315.333 -0.517 30 20 DBED C#CCNC1CC2(C1)CC(NC(=O)CN1CCOCC1=O)C2 963952505 KBNZRCSNOGWSTE-UHFFFAOYSA-N 305.378 -0.505 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@@H](NCc2ncnn2C)C1 968954805 SEULICVNWUUEBV-KGLIPLIRSA-N 316.409 -0.397 30 20 DBED C=C(Br)CN[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 969766124 IZGOYWCMSMENQN-BDAKNGLRSA-N 317.187 -0.233 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C[C@@H]2O)C1 970378436 PAHCPNCLSXSXLF-BJJPWKGXSA-N 320.389 -0.077 30 20 DBED C=CCN1CC([C@H](C)NC(=O)[C@@H]2CCN(C)S2(=O)=O)C1 970569284 OAJKBRPERXUPEO-JQWIXIFHSA-N 301.412 -0.357 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H](CNC(=O)c2cnnn2C)C1 975235793 JCWHEJADKGLQKR-MNOVXSKESA-N 304.354 -0.057 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)C[C@H]3COC(=O)C3)[C@H]2C1 976372225 XMXOHLPZSLHIBE-YBRCUDMCSA-N 305.334 -0.328 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)[C@H]3COCCN3C)[C@H]2C1 976397397 XDKGURFCVGMBSL-KIJLLGNVSA-N 306.366 -0.950 30 20 DBED N#CCN1C[C@@H]2C(CNC(=O)[C@H]3CCCS(=O)(=O)C3)[C@H]2C1 978819970 CSOMSAHFVZHTRR-CYZMBNFOSA-N 311.407 -0.371 30 20 DBED C#CCN1C[C@@H]2CC[C@H](NC(=O)CN3CC(=O)NC3=O)C[C@H]2C1 980189199 AZASXWCFBUPANU-AVGNSLFASA-N 318.377 -0.612 30 20 DBED CN1CC[C@@H](C(=O)NC[C@H]2CCN(C(=O)C#CC3CC3)C2)C1=O 982739458 MOKVIEGQRZTTQE-KGLIPLIRSA-N 317.389 -0.157 30 20 DBED CN(C[C@@H]1CCN(C(=O)C(N)=O)C1)C(=O)c1ccc(C#N)[nH]1 988277987 CEGWVTMNNZKZFM-VIFPVBQESA-N 303.322 -0.708 30 20 DBED C[C@@H]1C[C@@H](NCc2nnnn2C)CN1C(=O)c1c[nH]c(C#N)c1 988609970 FDOPGRAQVKLLPI-BXKDBHETSA-N 314.353 -0.197 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)c2cnnn2CC)C1 991204477 DGDINNPODHAQJP-YPMHNXCESA-N 319.365 -0.170 30 20 DBED C#CCN1CCC[C@H](NC(=O)Cn2nc(C)n(C)c2=O)[C@H]1C 994297443 GKULUJWVJIKTFG-YPMHNXCESA-N 305.382 -0.507 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC(NC(=O)c2nonc2C)C1 994934479 GBCUYDNCZGIPHG-LBPRGKRZSA-N 317.349 -0.584 30 20 DBED C=CCNC1CCN(C(=O)C2(n3cnnn3)CCOCC2)CC1 997083541 MADUVNZAMLIBTK-UHFFFAOYSA-N 320.397 -0.055 30 20 DBED Cn1nncc1C(=O)NCC1CN(C(=O)c2ccc(C#N)[nH]2)C1 1001656672 MPVIPHGSAUZVNW-UHFFFAOYSA-N 313.321 -0.483 30 20 DBED C[C@@H](c1nnnn1C)N1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 1010478800 NFNOUCDULNYWRA-GXSJLCMTSA-N 314.353 -0.025 30 20 DBED C=C1CC(C)(C(=O)NC2[C@H]3CN(C(=O)Cn4cnnn4)C[C@H]23)C1 1013738592 UUMAGTAXDPJJJK-QWRGUYRKSA-N 316.365 -0.398 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](C)O[C@]2(CCN(C(=O)C(N)=O)C2)C1 1017842938 MACYEROHXAZOAQ-BZNIZROVSA-N 323.393 -0.098 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCN(C(=O)[C@H]3CCC(=O)N3C)C2)C1 1019364916 PEIFNXKOUMBEEK-NWDGAFQWSA-N 318.377 -0.172 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H]1CCCCN1C(=O)C(N)=O 1019795740 IYWNHIMYWXJVJT-UPJWGTAASA-N 323.393 -0.098 30 20 DBED C#Cc1cncc(C(=O)N2C[C@@H]3CCN(C(=O)C(N)=O)[C@@H]3C2)c1 1022555013 KZTAKRKQEWHFHF-WCQYABFASA-N 312.329 -0.779 30 20 DBED C#CCCN1CCC[C@@H](CNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 1023623634 VRSXPLSIRRKXPL-RYUDHWBXSA-N 306.366 -0.564 30 20 DBED N#CCN1CCC[C@@H](CNC(=O)[C@@H]2CCS(=O)(=O)N2)C1 1023753786 OOXUWFQQMXIIDU-QWRGUYRKSA-N 300.384 -0.970 30 20 DBED N#CCN[C@@H]1CC[C@H]2CN(C(=O)Cn3ccc(O)nc3=O)C[C@@H]21 1026307316 VYNNMVJWFUREPP-SDDRHHMPSA-N 317.349 -0.701 30 20 DBED C#CCNC1CCC(NC(=O)[C@@H]2CCN(C)S2(=O)=O)CC1 1026575618 CWVSNUHXRJWMHW-BPCQOVAHSA-N 313.423 -0.330 30 20 DBED N#CCN1CCO[C@H](CNC(=O)c2c[nH]nc2[C@H]2CCOC2)C1 1035461195 OQAVDYRESFXISQ-NWDGAFQWSA-N 319.365 -0.132 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(CC1)CN(CC(N)=O)C2 1035800792 LRKKBPMJHMVQNF-OLZOCXBDSA-N 307.394 -0.013 30 20 DBED C#CCCN1CC[C@H]2CN(C(=O)CN3CCOCC3=O)CC[C@H]21 1036739062 SCDKGZAHYHESCC-LSDHHAIUSA-N 319.405 -0.209 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)c3cn(C)c(=O)cn3)CC[C@@H]21 1036776017 FMZZCHBGEIKZGD-OCCSQVGLSA-N 300.362 -0.050 30 20 DBED C#CCCCC(=O)NC[C@]1(O)CCN(C(=O)c2cn(C)cn2)C1 1039574562 VVBFRIHSNGMEQC-MRXNPFEDSA-N 318.377 -0.083 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC[C@@](O)(CNC(=O)c2cnco2)C1 1040383410 LMQAGRRNBVLQOB-XHDPSFHLSA-N 323.349 -0.041 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)c2ncccn2)C1 1040672853 DOYHMUIHTOGVFB-HZMBPMFUSA-N 303.322 -0.671 30 20 DBED CN1CCC[C@H]1C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1O 1040944149 HYHFKBXFDVWASR-GRYCIOLGSA-N 316.365 -0.892 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)COC(C)C)C1 1041850513 WNGYEFLUPNCUEG-GFCCVEGCSA-N 312.366 -0.861 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2n[nH]cc2C)C1 1042951091 KCYLFCDZWFTSMU-NSHDSACASA-N 320.349 -0.940 30 20 DBED C=C(C)CCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCN(C)C2)C1 1043115347 HMPOEUCKGNLGGP-CYBMUJFWSA-N 309.410 -0.016 30 20 DBED C=C(C)CCC(=O)NCC1(O)CN(C(=O)c2cnnc(O)c2)C1 1043314523 GUTZRUOVHXZBQF-UHFFFAOYSA-N 320.349 -0.158 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)C[C@H]2CCNC2=O)C1 1043363322 PXNNBNGHBROCLK-LLVKDONJSA-N 309.366 -0.832 30 20 DBED C=CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2ncc[nH]2)C1 1043572787 YYYMYYAVNUVOEC-JTQLQIEISA-N 308.338 -0.696 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 1043669775 AVCHSWDZPHJIGL-GMTAPVOTSA-N 317.349 -0.638 30 20 DBED C=C(C)CCN1CC(N(C)C(=O)Cn2nc(C)n(C)c2=O)C1 1044246297 KKWHPLTXQIGBJP-UHFFFAOYSA-N 307.398 -0.001 30 20 DBED C#CCN[C@@H]1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)[C@H](C)C1 1044775028 JECYGPKOBUWQHN-CHWSQXEVSA-N 318.377 -0.471 30 20 DBED C=C(C)CCC(=O)N1CC(O)(CNC(=O)C(=O)NCC2CC2)C1 1045357569 YMCCQDQTJQBNNZ-UHFFFAOYSA-N 323.393 -0.442 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)CCc2ncc[nH]2)C1 1045540602 JJNSNNNGHVCAQL-JTQLQIEISA-N 305.338 -0.809 30 20 DBED C#CCCN1[C@H]2CC[C@H]1CN(C(=O)C[C@@H]1NC(=O)NC1=O)CC2 1045796400 PUYSAYUXKZELHG-AVGNSLFASA-N 318.377 -0.327 30 20 DBED C=C(C)CN1CC[C@](C)(NC(=O)[C@H]2CCS(=O)(=O)N2)C1 1046844532 QBNGGYJSTSWSOY-YPMHNXCESA-N 301.412 -0.165 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H]2C[C@@H](NC(=O)COC)C[C@H]1C2 1047217640 YUDKQQAPOOTGGR-YNEHKIRRSA-N 321.377 -0.732 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 1047429023 VPODVMNEDOSTTD-CBBWQLFWSA-N 309.410 -0.768 30 20 DBED C=CCCN1C[C@H](O)[C@@H](N(C)C(=O)C(=O)N2CC[C@H](C)C2)C1 1047593030 OYSUKMCWXRLKMQ-IHRRRGAJSA-N 309.410 -0.066 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)OC)C1 1048415815 UGICQSHSCMWBAK-WOPDTQHZSA-N 300.355 -0.746 30 20 DBED C#CCO[C@H](C)C(=O)N(C)[C@H]1CN(C(=O)CCCF)C[C@@H]1O 1048843912 ALOMPNQMZDXZSH-AGIUHOORSA-N 314.357 -0.196 30 20 DBED C=CCn1cc(C(=O)N2C[C@@H]3CN(C[C@H](C)O)C[C@@H]3C2)nn1 1049103598 PJEQFXYPSFVQKG-RWMBFGLXSA-N 305.382 -0.151 30 20 DBED N#CCN1C[C@@H]2CCCN(C(=O)CN3CCC(=O)NC3=O)[C@@H]2C1 1050181345 UVDZAOBHTMGHFD-NWDGAFQWSA-N 319.365 -0.625 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)c1c(C)c(C)nn(C)c1=O 1051054605 CMLNPCRWTYZTBI-ZDUSSCGKSA-N 318.377 -0.539 30 20 DBED C=CCN1CC2(CC[C@@H](CNC(=O)[C@H]3CC[C@@H](C(N)=O)O3)O2)C1 1053661590 YBLHAGSBXMOQLX-RWMBFGLXSA-N 323.393 -0.445 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1COC2(C1)CN(CCO)C2 1053952946 HEVUNEJPUWYHKQ-IHRRRGAJSA-N 310.394 -0.081 30 20 DBED CCN(CC)CC(=O)N[C@@]1(CO)CCCN(C(=O)[C@H](C)C#N)C1 1055957084 YGJQAUVPSUHYHK-CJNGLKHVSA-N 324.425 -0.042 30 20 DBED N#Cc1cnc(N2C[C@@H]3C(NC(=O)CN4CCCC4)[C@H]3C2)cn1 1056224818 FTSAQTQRIDJBDT-STQMWFEESA-N 312.377 -0.005 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)C(=O)NCC1CC1 1057441977 QMTARXIISMVKOU-UHFFFAOYSA-N 323.393 -0.747 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)[C@H]1CN2CCC1CC2 1057675193 KZPLBJGTCUPWIN-OCCSQVGLSA-N 322.409 -0.575 30 20 DBED N#Cc1cnc(N2CC[C@H](NC(=O)C3=COCCO3)C2)cn1 1058277064 XNLNGRWGVZEMKP-JTQLQIEISA-N 301.306 -0.069 30 20 DBED C#CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)CCCF 1058400794 MWSPSOUOVCDTPR-LBPRGKRZSA-N 302.346 -0.289 30 20 DBED C=CCOCC(=O)N1CC[C@@H](CCNC(=O)[C@@H]2CNC(=O)N2)C1 1059337275 DUKZUWZOCAHHFF-NEPJUHHUSA-N 324.381 -0.775 30 20 DBED O=C(C#CC1CC1)NC[C@H]1COCCN1C(=O)c1ncc[nH]1 1061570380 ZZNCSPFGBHTZBP-LBPRGKRZSA-N 302.334 -0.220 30 20 DBED N#Cc1nccnc1N1CC[C@@H](CNC(=O)[C@@H]2COC(=O)N2)C1 1061592611 QGPWGYSFWNSHBY-ONGXEEELSA-N 316.321 -0.601 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)[C@H]2COCCN2C)CCC1 1062823651 AZVOTBXWRUXTER-VXGBXAGGSA-N 308.382 -0.368 30 20 DBED C#CCO[C@@H](C)C(=O)NC1(CNC(=O)[C@@H](C)CC(N)=O)CCC1 1063902515 DOMLLRPYWQEFGJ-RYUDHWBXSA-N 323.393 -0.309 30 20 DBED N#Cc1ccc(N2CCC[C@]3(CCN(C(=O)C(N)=O)C3)C2)nn1 1064567840 ZGEMPUPDSXIAKW-HNNXBMFYSA-N 314.349 -0.348 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)CN2CCCC2=O)CCO1 1064841747 ZCZYRGRFDKXUFY-ZDUSSCGKSA-N 323.393 -0.081 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCO[C@H](CNC(=O)c2cc[nH]n2)C1 1065095275 APQIRKBPKMJTMW-ABAIWWIYSA-N 322.365 -0.306 30 20 DBED Cc1nccn1CC(=O)N1CCO[C@H](CNC(=O)[C@H](C)C#N)C1 1065171372 GUYJXQSHCRBNOI-DGCLKSJQSA-N 319.365 -0.305 30 20 DBED C[C@@]1(NC(=O)[C@@H]2COCCO2)CCN(c2ccnc(C#N)n2)C1 1065211711 YMGIOPMDNVLITA-XHDPSFHLSA-N 317.349 -0.151 30 20 DBED Cc1nn[nH]c1C(=O)N1CCO[C@H](CNC(=O)C#CC2CC2)C1 1065415246 IJBNZYFOJPQJAA-GFCCVEGCSA-N 317.349 -0.516 30 20 DBED C[C@H]1CN(C(=O)CC(N)=O)C[C@H]1CN=c1cc[nH]cc1C#N 1065830292 ZSZGAFOUNQYPQO-CMPLNLGQSA-N 301.350 -0.243 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](CNC(=O)c3cc[nH]n3)C2)cn1 1067650708 BNWRFLMDNDVHHW-YGRLFVJLSA-N 312.333 -0.097 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@@H](CNC(=O)c3cn[nH]c3)C2)nn1 1067651854 QTDAARJLKBESGK-CMPLNLGQSA-N 313.321 -0.702 30 20 DBED C=CCCC(=O)NC[C@H]1CCC2(CN(C(=O)CC(=O)NC)C2)O1 1068536541 ZIBWTJWCECMRLF-GFCCVEGCSA-N 323.393 -0.035 30 20 DBED C[C@H]1C[C@H](N=c2cc[nH]c(C#N)n2)CN1C(=O)CS(C)(=O)=O 1069041686 OIYKKEUASLXYSX-UWVGGRQHSA-N 323.378 -0.784 30 20 DBED CCC1(NC(=O)[C@@H](C)C#N)CCN(C(=O)Cn2cnnn2)CC1 1069161719 WSLUAXYIGRIOTH-NSHDSACASA-N 319.369 -0.280 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)Cc2ccn(C)n2)C1 1069924992 OZMDBYHVQLTISO-KGLIPLIRSA-N 315.381 -0.218 30 20 DBED C=CCOCC(=O)N1CCC[C@@H](NC(=O)C[C@@H]2CCNC2=O)C1 1070552124 DWUVHZJWZKLWHB-QWHCGFSZSA-N 323.393 -0.178 30 20 DBED C=CCN[C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1c1cn(C)cn1 1070560264 AZIVISXZLVHDJX-GXTWGEPZSA-N 315.381 -0.218 30 20 DBED Cn1c(C(=O)N2C[C@H]3C[C@@H]4CN(CC#N)C[C@]3(C2)O4)cnc1O 1070835099 HPOIKYRIBMIIFB-UEKVPHQBSA-N 317.349 -0.435 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCC[C@@H](NC(=O)Cn2cncn2)C1 1070905143 OXZICWMXVITKJF-QWHCGFSZSA-N 321.381 -0.024 30 20 DBED CC(C)(C)C(=O)C(=O)N1CCC(=O)NCCN(CC#N)CC1 1070948679 WESOKNXGSRTMGU-UHFFFAOYSA-N 308.382 -0.224 30 20 DBED N#CCN1CCNC(=O)CCN(C(=O)Cc2cccnc2)CC1 1070954918 BGOGYVZICFTHNM-UHFFFAOYSA-N 315.377 -0.202 30 20 DBED C[C@H](C#N)C(=O)NC1(C)CCN(C(=O)c2nnn(C)n2)CC1 1073196913 AEFOGYYBAZOJMJ-SECBINFHSA-N 305.342 -0.519 30 20 DBED C=CCOCC(=O)NC1(C)CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1 1073261638 YBOAEFZGOYPTAW-NEPJUHHUSA-N 323.393 -0.192 30 20 DBED CC#CCN1CCC2(C1)CN(C(=O)c1ccc(=O)n(C)n1)C2 1073408861 NATLFMUPMKNYFO-UHFFFAOYSA-N 300.362 -0.049 30 20 DBED CO[C@H](C)CC(=O)N1CCN(C2CN(C(=O)[C@H](C)C#N)C2)CC1 1073549687 ROZWAYAVAPIULG-CHWSQXEVSA-N 322.409 -0.074 30 20 DBED C#Cc1cncc(C(=O)NC[C@@H]2CN(CC(N)=O)CCCO2)c1 1073763187 YABBGSGCUQNUOM-CQSZACIVSA-N 316.361 -0.631 30 20 DBED C#CCOCCC(=O)N[C@H]1CCN(C(=O)CNC(N)=O)C[C@H]1C 1073961251 YRHWKWOONCUZLS-NEPJUHHUSA-N 324.381 -0.952 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@H]3OCCN(CC(N)=O)[C@H]3C2)[nH]1 1074219041 JNJPPNBBJCOPAH-QWHCGFSZSA-N 317.349 -0.713 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)Cc3ccnn3C)C[C@@H]21 1074226504 RCPNGFIDILDDKD-GJZGRUSLSA-N 302.378 -0.103 30 20 DBED C#CCCN1CCO[C@H]2CCN(C(=O)CCn3ccnn3)C[C@H]21 1074226607 SXYLPQHGDURHPU-CABCVRRESA-N 317.393 -0.007 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](NC(=O)CCOC)C[C@@H]1C 1074756638 KCUJCSUJVMPNAM-QWHCGFSZSA-N 323.393 -0.342 30 20 DBED C=CCOCC(=O)N[C@@H](C)CCNC(=O)CNC(=O)OC 1075762347 AYVAYFGEYQYYMR-JTQLQIEISA-N 301.343 -0.444 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)C#CC1CC1 1076423370 GWZOBBRWMLNYKI-LBPRGKRZSA-N 303.362 -0.450 30 20 DBED C[C@@H](CCNC(=O)C#CC1CC1)NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 1076428690 GSGWBONIRZJRDW-WCFLWFBJSA-N 321.377 -0.556 30 20 DBED C#CCCN1C[C@@H]2CCN(C(=O)CN3C(=O)CCC3=O)[C@@H]2C1 1076550074 OUJCBLWOQLJTIP-QWHCGFSZSA-N 303.362 -0.309 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2cc([C@H]3CCCN3C)[nH]n2)C1 1077034395 WMWPUXJIMUZBDO-RBSFLKMASA-N 317.393 -0.416 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)c2nc3nccc(C)n3n2)C1 1078123528 XIQFYRLMEYWWPN-GHMZBOCLSA-N 302.338 -0.606 30 20 DBED N#CCN[C@H]1C[C@@H](NC(=O)CN2CC(=O)NC2=O)C12CCC2 1078750838 YOEBJSXTRSQRAA-VHSXEESVSA-N 305.338 -0.921 30 20 DBED COCCC(=O)NC[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1O 1081150252 SCKOIYXRFYHHGM-AAEUAGOBSA-N 320.349 -0.528 30 20 DBED C=CCCCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2ncn(C)n2)C1 1081453220 RQUAUUXOFXDDBO-NEPJUHHUSA-N 321.381 -0.280 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(C(=O)CSC)C[C@H]1O 1081484842 CLLBMNVBHRNJDW-VXGBXAGGSA-N 314.407 -0.675 30 20 DBED C=C(C)C(C)(C)C(=O)NC[C@@H]1CN(C(=O)c2cnn[nH]2)C[C@H]1O 1081642329 DVYXTKCKUKOWTH-ZYHUDNBSSA-N 321.381 -0.044 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(CC#CC)C[C@H]1OC 1081811004 ATHQWZWTXOEUTJ-OWCLPIDISA-N 303.406 -0.077 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1cc(C)c(C(N)=O)cn1 1082152676 ZHACMDGDVQKTKS-CHWSQXEVSA-N 317.349 -0.559 30 20 DBED C#CCOc1ncccc1C(=O)N[C@@H]1CN(CCO)C[C@H]1OC 1082333246 WVQIMIWLZNDZJM-ZIAGYGMSSA-N 319.361 -0.485 30 20 DBED C=CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cc(=O)n(C)cn1 1083109654 KAMMZKNGGKNUCO-QWHCGFSZSA-N 304.350 -0.509 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cnn2c1OCCC2 1083130941 QXFXCFCRGBNZDL-UONOGXRCSA-N 316.361 -0.176 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)Cc1cc(C)nn1C 1083142016 NRKYRKUZBCIJPP-LSDHHAIUSA-N 302.378 -0.184 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCc3nnc(O)n3C2)C1 1083581508 YVVKLCBFWPYBJC-TUAOUCFPSA-N 321.381 -0.717 30 20 DBED C=CCN1CC[C@H](N2CC[C@H]2CN(C)C(=O)c2cnn[nH]2)C1=O 1085693083 YAWRVORNANBKNT-AAEUAGOBSA-N 318.381 -0.262 30 20 DBED N#CCN[C@H]1CCCCCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 1088428693 ZFRRVPMDZAKUOV-RYUDHWBXSA-N 314.411 -0.438 30 20 DBED CNC(=O)CC(=O)N[C@H]1CC[C@H](C)N(c2cnc(C#N)cn2)C1 1089128758 GJDSXBCXMYCJDF-QWRGUYRKSA-N 316.365 -0.042 30 20 DBED CCN(c1cnc(C#N)cn1)[C@H](C)CNC(=O)CNC(C)=O 1089580732 WFAXNXBLSVSUTM-SNVBAGLBSA-N 304.354 -0.185 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2cc(C(N)=O)cn2C)[C@@H](O)C1 1090398902 JEQWTCZGRQWQIX-JSGCOSHPSA-N 318.377 -0.688 30 20 DBED C#CCN1CC[C@H](NC(=O)c2ccnc3c2nnn3C)[C@@H](O)C1 1090522447 JATNECGJSMVZFA-RYUDHWBXSA-N 314.349 -0.839 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2noc3c2COCC3)[C@@H](O)C1 1090825176 WVRJYXNRPXEDAP-NEPJUHHUSA-N 305.334 -0.455 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2ccc(C(N)=O)cn2)[C@H](O)C1 1090843783 LFXICKLTCDSJJK-TZMCWYRMSA-N 316.361 -0.631 30 20 DBED CCCN(C)CC(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@@H]1O 1091130031 MCBYNLIFIFOVAA-CABCVRRESA-N 317.393 -0.039 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(c2ncc(F)cn2)C[C@@H]1O 1091153280 ZBLBOBMDFQABKS-JLLWLGSASA-N 308.313 -0.680 30 20 DBED C#CCN1C[C@@H]2CN(C(=O)CN3CCOCC3=O)C[C@]2(C)C1 1091741491 BVJORGYSXKMTGC-CJNGLKHVSA-N 305.378 -0.741 30 20 DBED N#Cc1cncc(N2CC[C@@H](NC(=O)C#CC3CC3)[C@H](O)C2)n1 1092152302 QXVQYADVQJNLMV-ZIAGYGMSSA-N 311.345 -0.183 30 20 DBED N#Cc1cnc(N2CCN(C(=O)CNC(=O)C3CC3)CC2)cn1 1093137676 JGOTUVXHVSLLCD-UHFFFAOYSA-N 314.349 -0.477 30 20 DBED CCN1CCO[C@H](C(=O)NCCNc2cnc(C#N)cn2)C1 1093654702 KXZZCAXOOQBJSN-LBPRGKRZSA-N 304.354 -0.403 30 20 DBED N#CCN1CC(n2cc(CNC(=O)C3=COCCO3)nn2)C1 1094271285 RIHOAKFYAQHBDZ-UHFFFAOYSA-N 304.310 -0.837 30 20 DBED N#Cc1cnc(NCCCNC(=O)CN2CCCC2=O)cn1 1094314877 NLJRZACNIWQDQV-UHFFFAOYSA-N 302.338 -0.111 30 20 DBED C=C(C)CN1CC(n2cc(CNC(=O)[C@@H]3CNC(=O)N3)nn2)C1 1094314949 FINNVYOAYQUQRI-LBPRGKRZSA-N 319.369 -0.992 30 20 DBED CN(C)CCOCC(=O)NCCCNc1cnc(C#N)cn1 1094503164 SBIZRWWLRZUFMY-UHFFFAOYSA-N 306.370 -0.155 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)c3cc(C)nn3C)CC2=O)C1 1094714388 VXZFQUYEEIMWTO-LBPRGKRZSA-N 317.393 -0.071 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)[C@H]3CCCCN3C)CC2=O)C1 1094751770 XERACXBRYTTZPO-UKRRQHHQSA-N 318.421 -0.495 30 20 DBED COc1cc(C(=O)NC[C@@H](C)N=c2cc[nH]c(C#N)n2)ncn1 1098081631 OISDOEYOKXQSPC-SECBINFHSA-N 313.321 -0.201 30 20 DBED C#CCCNCc1cn([C@@H]2CCN(C(=O)c3nc[nH]n3)C2)nn1 1098752576 ZUFWOCUHKBCPNY-GFCCVEGCSA-N 314.353 -0.404 30 20 DBED C=C(Cl)CN1CC[C@H](NC(=O)CCn2cncn2)[C@H](O)C1 1099679388 ZQRHDUMWJOMBJC-NWDGAFQWSA-N 313.789 -0.028 30 20 DBED CCC(CC)C(=O)N[C@H]1CCN(CC(=O)NCC#N)C[C@H]1O 1099693857 YQAQXUNJBDTBEY-QWHCGFSZSA-N 310.398 -0.386 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)c2cc[nH]c2C)[C@@H](O)C1 1099760465 JLBLHIDDSCRDAP-KBPBESRZSA-N 318.377 -0.762 30 20 DBED C#CCN1CC[C@H](NC(=O)C(C)(C)CN2CCOCC2)[C@@H](O)C1 1099892790 PPOKHJZFJYTBDB-GJZGRUSLSA-N 323.437 -0.471 30 20 DBED N#CCN1CC[C@@H](NC(=O)C(=O)Nc2ccccc2)[C@@H](O)C1 1099904138 QZEINJHKLRCTIX-OLZOCXBDSA-N 302.334 -0.300 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)C2(C)CCC2)[C@@H](O)C1 1099944816 RATZKCWCSKUGAV-STQMWFEESA-N 307.394 -0.523 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2conc2C)[C@H](O)C1 1099978444 GGIKVACJOVUNAD-UONOGXRCSA-N 307.350 -0.202 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CCc2cnn(C)n2)[C@H](O)C1 1100009492 ZASMOYMXPBOTOL-ZIAGYGMSSA-N 305.382 -0.678 30 20 DBED N#CCN1CC[C@@H](NC(=O)CNC(=O)CC2CCCC2)[C@H](O)C1 1100032247 REEILDQDXFWYOM-ZIAGYGMSSA-N 322.409 -0.242 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CC(=O)NCC2CC2)[C@H](O)C1 1100069110 HQBZJTLALPQBTL-ZIAGYGMSSA-N 307.394 -0.523 30 20 DBED C=CCC1(C(=O)N[C@H]2CCN(CCO)C[C@@H]2O)CCOCC1 1100092223 LHNRBTWSOOCHQX-KBPBESRZSA-N 312.410 -0.097 30 20 DBED C=CCCCN1CC[C@@H](NC(=O)CN2C(=O)CNC2=O)[C@H](O)C1 1100101378 LMLRFMQGYWGKBB-VXGBXAGGSA-N 324.381 -0.944 30 20 DBED C=CCCN1CC[C@H](NC(=O)CS(=O)(=O)CC)[C@@H](O)C1 1100130270 ZJIGTXYAGWVLOR-RYUDHWBXSA-N 304.412 -0.451 30 20 DBED Cc1cc(C#N)nc(N(C)CCNC(=O)[C@@H]2CN(C)C(=O)N2)n1 1100255602 XOTCDMICXOKBPW-NSHDSACASA-N 317.353 -0.767 30 20 DBED CN1CC[C@H](C(=O)NCCN(C)c2ccnc(C#N)n2)CC1=O 1100398381 FRZNSADYYPVROR-NSHDSACASA-N 316.365 -0.231 30 20 DBED N#CCNC(=O)CNC1CC(CNC(=O)c2ncccn2)C1 1100775607 ANNAZYVOIIQPCJ-UHFFFAOYSA-N 302.338 -0.786 30 20 DBED C=C(Cl)CNC1CC(CNC(=O)CS(=O)(=O)NC)C1 1100994432 RGPXYDCAIYUGPZ-UHFFFAOYSA-N 309.819 -0.228 30 20 DBED COCC#CCN1C[C@@H]2CN(C(=O)C(C)(C)C(N)=O)C[C@]2(C)C1 1101272480 NWVPHOWEDVDLDO-DYVFJYSZSA-N 321.421 -0.072 30 20 DBED CN(CCNc1cnc(C#N)cn1)C(=O)[C@H]1CCNC(=O)C1 1101548294 LCQFBNPSIZWKMR-JTQLQIEISA-N 302.338 -0.255 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)COCC=C)C1 1101817114 AZCXTRCNAXTYSY-ZIAGYGMSSA-N 307.394 -0.378 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C[C@H](O)COC)C[C@H]1C 1101817304 LPQILKBEAVVLSB-MCIONIFRSA-N 300.399 -0.120 30 20 DBED CC[C@H](CNC(=O)CN1CCOCC1)Nc1cnc(C#N)cn1 1103035199 YEUURAPSTPNOPH-GFCCVEGCSA-N 318.381 -0.013 30 20 DBED CC[C@@H](CNC(=O)CNC(=O)NC)Nc1cnc(C#N)cn1 1103353128 VJIFMUZCLBVRHC-VIFPVBQESA-N 305.342 -0.416 30 20 DBED C#CCNCC[C@@H]1CN(C(=O)[C@@H](C)NS(C)(=O)=O)C[C@H]1C 1104725438 VTTZCJOHMMIFJM-JHJVBQTASA-N 315.439 -0.369 30 20 DBED C[C@@H](CNc1cnc(C#N)cn1)N(C)C(=O)[C@@H]1CCNC1=O 1104763121 BCWQLWUJDMLDJI-GXSJLCMTSA-N 302.338 -0.257 30 20 DBED C[C@@H]1CN(C(=O)CNC(N)=O)CC[C@H]1N=c1cc[nH]c(C#N)n1 1105029680 FVKLYUYCPKWABP-NXEZZACHSA-N 317.353 -0.913 30 20 DBED CN(CCN(C)c1nccnc1C#N)C(=O)[C@@]1(C)CCNC1=O 1105557319 GIHBONYCXFVRIG-HNNXBMFYSA-N 316.365 -0.231 30 20 DBED C#CCNC(=O)CN1CC(OC2CCN(C(=O)C3CC3)CC2)C1 1105680781 JUVJFZHADCNDLN-UHFFFAOYSA-N 319.405 -0.162 30 20 DBED C[C@H](C(=O)NC[C@@H](O)CNc1cnc(C#N)cn1)n1cccn1 1105768091 VRWBZPJUJLCGQY-PWSUYJOCSA-N 315.337 -0.305 30 20 DBED Cc1noc2ncnc(NC[C@@H](O)CNC(=O)[C@H](C)C#N)c12 1105773490 IKOJJYHDVSSGDJ-VXNVDRBHSA-N 304.310 -0.025 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)C[C@H]2CCC(=O)N2)cn1 1105894874 WQKOBZIFJFQWEW-MFKMUULPSA-N 317.349 -0.489 30 20 DBED Cc1nc[nH]c1CC(=O)NC[C@H](O)CNc1cnc(C#N)cn1 1105921163 YPEXCESVMFBTGF-LLVKDONJSA-N 315.337 -0.489 30 20 DBED COCCO[C@H](C)C(=O)NC[C@@H](O)CNc1cnc(C#N)cn1 1105963448 QINCCXFDLPCJFG-PWSUYJOCSA-N 323.353 -0.711 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)C[C@H]2CCOC2)C[C@H]1C 1105969849 QAKPVDZSIVESRM-RBSFLKMASA-N 321.421 -0.154 30 20 DBED C=C[C@@](C)(O)CC(=O)N1C[C@@H](C)[C@H](CNCc2nnn(C)n2)C1 1106058912 LHPWUNGNSBWMPB-LALPHHSUSA-N 322.413 -0.279 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)[C@@H](C)OCC#C)C[C@H]1C 1106111064 GKPOPYMXNDDUIW-RBSFLKMASA-N 319.405 -0.542 30 20 DBED CN1CCCC[C@@H]1C(=O)NC[C@H](O)CNc1nccnc1C#N 1106165034 BORLPOMDGOAGKH-DGCLKSJQSA-N 318.381 -0.278 30 20 DBED C[C@@H](CC(=O)N[C@@H](C)CCN=c1cc[nH]c(C#N)n1)NC(N)=O 1106446493 ISMSKPZGJYTZOE-UWVGGRQHSA-N 319.369 -0.476 30 20 DBED C[C@H](CCNc1ccc(C#N)nn1)NC(=O)[C@@H]1CCNC1=O 1106516709 WPTQWHFYUGZQAA-MWLCHTKSSA-N 302.338 -0.209 30 20 DBED N#Cc1cnc(NC/C=C\CNC(=O)CNC(N)=O)c(F)c1 1107069365 ALJYJQQKORPXLT-UPHRSURJSA-N 306.301 -0.155 30 20 DBED CN1CCOC[C@H]1C(=O)NC/C=C/CNc1ccc(C#N)nn1 1107162039 PGMWSYMZIRTZOI-IBUXWKBASA-N 316.365 -0.237 30 20 DBED C[C@@H](C#N)C(=O)NC[C@]1(C)CN(Cc2nc(O)n[nH]2)CCO1 1107821097 JFQUOQXWBATPHG-TVQRCGJNSA-N 308.342 -0.623 30 20 DBED C[C@H](CNc1cnc(C#N)cn1)NC(=O)C1CC(=O)NC(=O)C1 1107831156 OSPULJWYGXNNQK-MRVPVSSYSA-N 316.321 -0.682 30 20 DBED C[C@H](CNc1cncc(C#N)n1)NC(=O)CCN1CCOCC1 1107836194 XSBTYAVKPKWGMV-GFCCVEGCSA-N 318.381 -0.013 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@]1(C)CN(CC#N)CCO1 1108002022 TVOKLVOLVBIMBC-HOCLYGCPSA-N 304.394 -0.185 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)C[C@@H]2CCN(C)C2=O)C1 1108015389 WUOASJMWHOKSMZ-BBRMVZONSA-N 307.394 -0.305 30 20 DBED C=CCn1cc(C(=O)NC[C@]2(C)CN(C[C@@H](C)O)CCO2)nn1 1108266228 KKWOBTXEQBOXKP-IUODEOHRSA-N 323.397 -0.334 30 20 DBED C=CCCN1CCO[C@](C)(CNC(=O)CN2CC(=O)NC2=O)C1 1108283418 BZDTWQHZYCFTBL-OAHLLOKOSA-N 324.381 -0.679 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)c2cc(C(N)=O)ccn2)C1 1108449525 ZMJUYSDFKZMKAJ-INIZCTEOSA-N 316.361 -0.366 30 20 DBED C#CCN1CCN(C(=O)[C@@H](C)COC)[C@@H]2CS(=O)(=O)C[C@@H]21 1108465208 NSQBFICXQNSVPE-RWMBFGLXSA-N 314.407 -0.788 30 20 DBED CC(C)C#CC(=O)N1CCN(CC#N)[C@H]2CS(=O)(=O)C[C@H]21 1108472240 MWYVVZXXLQJSLT-QWHCGFSZSA-N 309.391 -0.521 30 20 DBED Cc1nsc(NC[C@H](C)NC(=O)[C@H]2CNC(=O)N2)c1C#N 1108669060 LIFBUINEORWTOE-IMTBSYHQSA-N 308.367 -0.079 30 20 DBED N#Cc1cncc(NC[C@@H]2CCCN2C(=O)CCNC(N)=O)n1 1110544363 KLOXGEJVHNVXJA-NSHDSACASA-N 317.353 -0.190 30 20 DBED CO[C@@H](C)CC(=O)NC[C@]1(O)CCN(c2nccnc2C#N)C1 1111046014 VEAYDZGIQVLHQR-XHDPSFHLSA-N 319.365 -0.169 30 20 DBED CC(C)[C@@H](O)C(=O)NC[C@@]1(O)CCN(c2ccc(C#N)nn2)C1 1111076101 UAKNEZRCJGOVQU-HIFRSBDPSA-N 319.365 -0.577 30 20 DBED N#Cc1nccnc1NCCN(CCO)C(=O)[C@]1(F)CCOC1 1111546280 CPFWZKQILPJFCT-AWEZNQCLSA-N 323.328 -0.290 30 20 DBED COCCC(=O)NC1(CN=c2cc[nH]c(C#N)n2)CCOCC1 1112234047 HOKRSOYWWRZLLX-UHFFFAOYSA-N 319.365 -0.116 30 20 DBED C[C@H]1CN(C(=O)CCNC(N)=O)C[C@H]1N=c1cc[nH]cc1C#N 1112313067 PIIJUMSHQYCVLF-GXFFZTMASA-N 316.365 -0.308 30 20 DBED C[C@H](Nc1ccc(C#N)nc1)[C@@H](C)NC(=O)Cn1ncnn1 1113193128 FLBJDWAUSHEDIY-VHSXEESVSA-N 300.326 -0.055 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCN([C@H](C)C(=O)NC(N)=O)CC1 1113360668 CTHNFEAHCQKVAD-UTUOFQBUSA-N 324.381 -0.695 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCN(C)C1=O)N(C)c1cnc(C#N)cn1 1113826805 MPWLMDAQRJKTFZ-CMPLNLGQSA-N 316.365 -0.233 30 20 DBED N#CCN1C[C@@H]2C(NC(=O)CCNC(=O)c3ccncc3)[C@H]2C1 1114365808 FOBIGMRHOZGHRR-STQMWFEESA-N 313.361 -0.229 30 20 DBED N#CCN1C[C@H]2C(NC(=O)CCCN3C(=O)CCC3=O)[C@@H]2C1 1114371731 JWAUDKLBFSLMQG-GHMZBOCLSA-N 304.350 -0.514 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3cccnc3C)[C@H]2C1 1114743927 SSEJBFZQFRSGPX-KBPBESRZSA-N 312.373 -0.201 30 20 DBED CO[C@@H](C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21)C(C)C 1114779940 CISOXVWZEWAADT-UVLXDEKHSA-N 308.382 -0.656 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)C[C@@H]3CCN(C)C3)[C@H]2C1 1115119415 WXOAFSBFJGDDPY-SZOQZIPDSA-N 318.421 -0.876 30 20 DBED C[C@H](NC(N)=O)C(=O)N(C)C[C@@H](C)Nc1cnc(C#N)cn1 1115674417 GSVYWWHEYCOLTO-BDAKNGLRSA-N 305.342 -0.336 30 20 DBED COC(=O)NC1CN(C(=O)C(=O)NCc2cccc(C#N)c2)C1 1117012627 NAPMEHNWZXXKFZ-UHFFFAOYSA-N 316.317 -0.259 30 20 DBED C[C@@H](NC(=O)C(=O)N1CCO[C@H](C#N)C1)C(C)(C)CN(C)C 1117440116 LTVWGEICHLBBGQ-VXGBXAGGSA-N 310.398 -0.170 30 20 DBED CC(C)(C)N1CC[C@H](NC(=O)C(=O)N2CC[C@@](F)(C#N)C2)C1=O 1118228783 VTHIDIFBCTWGGS-ZUZCIYMTSA-N 324.356 -0.034 30 20 DBED CC1(C)CN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CCO1 1118924243 OFMODVJRSAKAMQ-ZDUSSCGKSA-N 320.393 -0.177 30 20 DBED C=CCS(=O)(=O)CCn1nnnc1N(C)C[C@@H]1CCOC1 1119563342 DEFQCQSFDXSFGP-NSHDSACASA-N 315.399 -0.253 30 20 DBED CC(=O)N[C@@H](C)C(=O)NC[C@H](CO)N=c1cc(C)[nH]cc1C#N 1121177013 CQZVKIZWLKLFQA-GXFFZTMASA-N 319.365 -0.903 30 20 DBED Cn1nccc1CC(=O)NC[C@H](CO)Nc1cncc(C#N)n1 1121412769 UUZWFCWYYDAVOJ-LLVKDONJSA-N 315.337 -0.787 30 20 DBED Cn1ccc(CC(=O)NC[C@@H](CO)Nc2cncc(C#N)n2)n1 1121480047 IOYQAKGJCLTOPC-LBPRGKRZSA-N 315.337 -0.787 30 20 DBED Cc1cc(=N[C@@H](CO)CNC(=O)[C@]2(C)CCOC2)c(C#N)c[nH]1 1121914325 MAKFLLAXWOEBLR-CZUORRHYSA-N 318.377 -0.001 30 20 DBED Cc1cnoc1C(=O)NC[C@H](CO)Nc1cnc(C#N)cn1 1122004536 WHINSCOLMNBNAM-SNVBAGLBSA-N 302.294 -0.153 30 20 DBED CC(C)NC(=O)[C@@H](C#N)C(=O)C1CCC2(CC1)NC(=O)NC2=O 1122407489 YNMZWYFNXSTLOO-VOZQYIJBSA-N 320.349 -0.012 30 20 DBED C[C@@H]1CCN(CC(=O)NC[C@H](CO)Nc2ccc(C#N)nn2)C1 1122526814 MICITTSAVOKPKR-DGCLKSJQSA-N 318.381 -0.421 30 20 DBED C=CCCC(=O)N(C)C[C@H](O)CNc1ccc2nnnn2n1 1124163942 NDIHJRLIRLTKNU-SNVBAGLBSA-N 305.342 -0.283 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]cc1C#N)C(=O)c1cn(C)nn1 1124295812 MXCPMQKPAIGABS-NSHDSACASA-N 315.337 -0.951 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)C1=COCCC1 1124655404 CNDCUHWSGMERQB-UHFFFAOYSA-N 310.354 -0.602 30 20 DBED Cc1cc(=NC[C@@H](O)CN(C)C(=O)CCN(C)C)c(C#N)c[nH]1 1124708316 BZKMRJXUVYRQRW-CQSZACIVSA-N 319.409 -0.134 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]cc1C#N)C(=O)c1cnn[nH]1 1124895465 IDYWRPXRERXOHV-SNVBAGLBSA-N 301.310 -0.962 30 20 DBED CN(C[C@@H](O)CN(C)c1ncccc1C#N)C(=O)c1cnon1 1125138885 COVPXXOBGDQVEA-NSHDSACASA-N 316.321 -0.094 30 20 DBED C[C@H]1CCCc2ncc(C(=O)NCCNCC(=O)NCC#N)n21 1127797143 HXEXTCMFNSTNAP-NSHDSACASA-N 318.381 -0.260 30 20 DBED N#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)CCOCC2CC2)C1 1128985879 WQARKNZSOHFSQW-KGLIPLIRSA-N 318.381 -0.040 30 20 DBED C#CCCN[C@@H]1CN(C(=O)Cc2ncc[nH]2)C[C@@H]1n1ccnn1 1130057337 VUVMBQSMEGMWHJ-OLZOCXBDSA-N 313.365 -0.391 30 20 DBED C#CCN1CC[C@H](c2n[nH]cc2CNC(=O)C(C)(C)C(N)=O)C1 1130398821 GMFQSVZVKZYRJO-NSHDSACASA-N 317.393 -0.040 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CCn2ccnc2C1 1130484131 FULMYDXIULUSSJ-CHWSQXEVSA-N 319.409 -0.158 30 20 DBED CC#CCN[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1c1cncn1C 1131094017 QHSJDCZNBVJSOG-VXGBXAGGSA-N 313.365 -0.241 30 20 DBED C#CCNC[C@H]1CN(C(=O)c2cn(CC(N)=O)nn2)CC[C@H]1C 1133338388 UZJYFPWRLUJRNF-NEPJUHHUSA-N 318.381 -0.916 30 20 DBED C[C@@H](C[C@H](C)NC(=O)c1cccc(O)n1)NCC(=O)NCC#N 1134065471 OSUNEHOZJORTAK-QWRGUYRKSA-N 319.365 -0.087 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)Cc1nnc(C)o1 1134299341 QZBRMHIWCRPGON-QWRGUYRKSA-N 321.381 -0.457 30 20 DBED N#Cc1ccc(CNCCNC(=O)[C@@H]2CC(=O)NC(=O)N2)cc1 1134460633 GCVAUFKRVFYAIP-LBPRGKRZSA-N 315.333 -0.638 30 20 DBED C[C@H](C(=O)NC[C@H]1CN(CC#N)CCCO1)N1C(=O)CCC1=O 1149817101 LVTLCFDSDDIBOK-NEPJUHHUSA-N 322.365 -0.745 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)c1ncn(C)n1 1153140217 WPZRIXQACCCRKM-LLVKDONJSA-N 306.370 -0.995 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)c1cc(C)n(C)n1 1155235856 GRTMXETWNUGSHX-LBPRGKRZSA-N 305.382 -0.424 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)c1cc(C#N)c[nH]1 1156295974 BUFMQQYJDFAOMA-NSHDSACASA-N 301.350 -0.266 30 20 DBED C#CCNC(=O)CC(=O)NCCCNCC(=O)N(C)C(C)C 1156857613 XPHLMRXARVZYLA-UHFFFAOYSA-N 310.398 -0.911 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1ccc(COC)o1 1162134819 QOKANKWYDXLSHD-UHFFFAOYSA-N 307.350 -0.115 30 20 DBED C#CCCNCC1(CCNC(=O)CN(C)S(C)(=O)=O)CC1 1165315383 QIRAXEGFZKJRJW-UHFFFAOYSA-N 315.439 -0.223 30 20 DBED C#CCNC(=O)[C@@H](C)NCC1(CCNC(=O)CCN(C)C)CC1 1166985487 AAIBDHDLKPELBR-CQSZACIVSA-N 322.453 -0.048 30 20 DBED C=CCn1cc(C(=O)NCCCNCC(=O)NCC2CC2)nn1 1167839006 QBVBOLJVAUBXGZ-UHFFFAOYSA-N 320.397 -0.300 30 20 DBED C[C@@H](CCCCNCC(=O)NCC#N)NC(=O)[C@H]1C[C@H]1C(N)=O 1175290114 ZZXUBDVKUJVCMU-TUAOUCFPSA-N 323.397 -0.988 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)CCc1cn(C)nn1 1177517580 VCLFYAOOUXFXFZ-LBPRGKRZSA-N 322.413 -0.466 30 20 DBED C=CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)[C@H]2CCC(=O)N2)[C@H]1C 1178346835 RAVYBWVBZJPAOI-ZDEQEGDKSA-N 322.409 -0.465 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2nccnc2N)[C@H]1C 1178371087 LQUCHLHPSXRCQA-QWRGUYRKSA-N 316.365 -0.999 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)CC2CS(=O)(=O)C2)C1 1183792641 AHURPIFFYBNJCP-CYBMUJFWSA-N 314.407 -0.739 30 20 DBED C#CCCNC[C@H]1CCN(C(=O)CS(=O)(=O)NC)C[C@H]1C 1185718195 GNDQNOHMACPEFM-CHWSQXEVSA-N 315.439 -0.367 30 20 DBED C#CCCNCc1cn([C@@H]2CCCN(C(=O)CC(N)=O)C2)nn1 1185900637 WNJOSHPKBHOCGB-CYBMUJFWSA-N 318.381 -0.570 30 20 DBED C#CCNC[C@H]1CN(C(=O)CC(=O)NCC)CC12CCOCC2 1186357768 YEMLZKGKVZVKRM-AWEZNQCLSA-N 321.421 -0.009 30 20 DBED C=CCN1CC[C@H](N2C[C@@H](O)[C@H](NC(=O)C=C(C)C)C2)C1=O 1190870539 ITQXKOMPZAVIBM-HZSPNIEDSA-N 307.394 -0.099 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@H]1CCN(C(=O)CCN(C)C)C1 1192153321 OLOUHZOAQGNCBS-KBPBESRZSA-N 308.426 -0.391 30 20 DBED CN(CC(=O)NCC#N)[C@@H]1CCN(C(=O)c2ncccn2)C1 1192989027 SYYCHDNUCQMYHH-LLVKDONJSA-N 302.338 -0.737 30 20 DBED CCN(CCC#N)C(=O)CN1CCCN(C(=O)CC(N)=O)CC1 1195363802 FCNRCMIWGYDSTE-UHFFFAOYSA-N 323.397 -0.842 30 20 DBED C[C@H]1C[C@@H](C(=O)N2CCCN(CC(=O)NCC#N)CC2)CCO1 1197560393 QKTDYOMXQPBZRM-KBPBESRZSA-N 322.409 -0.024 30 20 DBED C#CCNC(=O)CC(=O)N1CCC(NCc2csnn2)CC1 1200170934 PAKAWAOLYXWLHN-UHFFFAOYSA-N 321.406 -0.242 30 20 DBED C#CCNC[C@H]1CN(C(=O)[C@H]2CN(C(C)C)CCO2)CCCO1 1201245244 DXINPAOSGRYTLM-JKSUJKDBSA-N 323.437 -0.064 30 20 DBED C#CCNC[C@@H]1CN(C(=O)[C@@H]2CN(CC)CCO2)CCCO1 1202114712 ALMKPVKPUCUGJN-CABCVRRESA-N 309.410 -0.453 30 20 DBED CCN(CCC#N)C(=O)CNCC1CCN(C(=O)C(N)=O)CC1 1206118602 KQTBDSWRFYWUBD-UHFFFAOYSA-N 323.397 -0.938 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)c2cc(C)no2)C1 1207275715 CQQUZUYGQJXHSS-LBPRGKRZSA-N 304.350 -0.073 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@H]2CCC(=O)NC2)C1 1208473841 FMIYQPPXWPEIFL-QWHCGFSZSA-N 322.409 -0.605 30 20 DBED COCC[C@@H](C)C(=O)N1CCC[C@H](NCC(=O)NCC#N)C1 1211162198 ZKMNAISEKSCEOW-OLZOCXBDSA-N 310.398 -0.121 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)c2cc[nH]n2)[C@H](OC)C1 1211896294 ANNNHRQWSUKJEE-RAIGVLPGSA-N 321.381 -0.471 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)CCOCC)C1 1219352124 ROXZOKPDVSSPMI-UPJWGTAASA-N 313.398 -0.735 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)[C@H](C)NC(=O)c2ccoc2)C1 1219685221 ZFECWZNWFOOVCE-UHTWSYAYSA-N 307.350 -0.255 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)CCOC[C@@H]2CCCO2)C1 1219932303 DPHIBOXZVZCYLH-ZNMIVQPWSA-N 310.394 -0.243 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)C(=O)Nc2cc(C)on2)C1 1220974082 PEAFQXTWXJNGLB-MNOVXSKESA-N 308.338 -0.341 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)[C@H]2CO[C@H](C)C2)CC1 1223654322 LIWARMNFGFPNNI-UKRRQHHQSA-N 321.421 -0.011 30 20 DBED CC#CCN[C@@H]1CCCC[C@H]1NC(=O)Cn1nc(C)n(C)c1=O 1230011025 UANNNLBNWMNEOM-ZIAGYGMSSA-N 319.409 -0.069 30 20 DBED C=CCNC(=O)[C@H](C)N1CC[C@@H]1CN(C)C(=O)CC(=O)NCC 1233838167 UEXAPDFLSKPTHL-QWHCGFSZSA-N 324.425 -0.264 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@@H]1CN(C)C(=O)c1ncc[nH]1 1234119947 SETPANHIOHLFRJ-VXGBXAGGSA-N 303.366 -0.306 30 20 DBED CN(C)[C@H](CNC(=O)C(=O)Nc1cnn(CC#N)c1)C1CC1 1253368751 KBVPEVVXFUOCNA-GFCCVEGCSA-N 304.354 -0.198 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CO[C@H](C)C2)C1=O 1261478592 SPAQSIABZGQETL-WOPDTQHZSA-N 309.366 -0.475 30 20 DBED C=CCS(=O)(=O)CCNC(=O)NC[C@@H]1CN(C)CCN1C 1320131849 LGGRWKZIKPVMIB-GFCCVEGCSA-N 318.443 -0.868 30 20 DBED CC(C)=CCNC(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1322760442 PXAZDTVDPAGLJN-SEYXRHQNSA-N 320.349 -0.289 30 20 DBED CCC[C@H](NC(=O)CCN/C(O)=C1\N=CC=CC1=O)C(N)=O 1322786826 VRPBQMOYHNIXAS-DMPSHJKHSA-N 308.338 -0.327 30 20 DBED CC(=O)N1CCC(CNC(=O)C(=O)N2CC[C@](F)(C#N)C2)CC1 1323193651 MTHKRHIBTIHVFI-HNNXBMFYSA-N 324.356 -0.175 30 20 DBED C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1CC[C@](O)(CC#N)C1 1326107760 NFFOSYBMNNRJJF-XJKSGUPXSA-N 322.409 -0.146 30 20 DBED COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)C(=O)NCC2(CC#N)CC2)C1 1326127613 KPLUOOHBUUKONY-GHMZBOCLSA-N 323.349 -0.821 30 20 DBED CO[C@@]1(C)CCCN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)C1 1326228218 VMEQVFNSVZPGMJ-LSDHHAIUSA-N 309.366 -0.109 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N2CC[C@](F)(CO)C2)CCN1C1CC1 1329865055 KMSVZYNCBVAZJA-IUODEOHRSA-N 324.356 -0.882 30 20 DBED C=CCn1cc(C(=O)Nc2cnn(CC(=O)NCCO)c2)nn1 1332483438 GHYMOZABXXNMQL-UHFFFAOYSA-N 319.325 -0.979 30 20 DBED CC#CCn1nnnc1N1CCN(c2ncc(F)cn2)CC1 1337439789 IYZWIPMHSZORRQ-UHFFFAOYSA-N 302.317 -0.048 30 20 DBED C=CCS(=O)(=O)CCNC(=O)c1c([N+](=O)[O-])c(C)nn1C 1337613498 VUXYYVZDTLEIMI-UHFFFAOYSA-N 316.339 -0.033 30 20 DBED C=C[C@H](COC)NC(=O)N1CCC2(CC1)NC(=O)N(C)C2=O 1338169389 YFFQJPMKTXBYJW-SNVBAGLBSA-N 310.354 -0.087 30 20 DBED N#CCCCCNC(=O)C(=O)NCCNC(=O)c1cc[nH]n1 1341851065 WFMPCOUXHPLCDN-UHFFFAOYSA-N 306.326 -0.934 30 20 DBED C=CC[C@@H](CC)NC(=O)C(=O)N(C)CC(=O)N1CCOCC1 1342267139 XGMJEDGWYRIOGW-GFCCVEGCSA-N 311.382 -0.226 30 20 DBED C=C(C)Cn1c(C(N)=O)nnc1N1CCN([C@@H]2CCOC2)CC1 1342328187 IBMIFJTUIUPRIB-GFCCVEGCSA-N 320.397 -0.136 30 20 DBED COC(=O)N1CCC[C@@H](NC(=O)C(=O)N2CCO[C@H](C#N)C2)C1 1345549933 ZJCLVZDOZILVOQ-GHMZBOCLSA-N 324.337 -0.916 30 20 DBED N#Cc1cccc(NC(=O)C(=O)N2CC[C@@H](n3cncn3)C2)n1 1345811375 HKWADMPEHPWMOV-LLVKDONJSA-N 311.305 -0.043 30 20 DBED C#CCN1CCN(c2nnc(-c3nc(C)n(C)n3)n2C)CC1 1348865197 JDCRZSHSHPTQFA-UHFFFAOYSA-N 300.370 -0.326 30 20 DBED N#Cc1cn(CC(=O)NC[C@H]2CCC[C@H](O)C2)c(=O)nc1O 1362333607 RPKQESYAUBWNJR-ONGXEEELSA-N 306.322 -0.512 30 20 DBED N#Cc1c[nH]nc1NC(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1 1363104661 GNYVTROKBLMKND-NSHDSACASA-N 318.318 -0.050 30 20 DBED N#CC[C@]1(O)CCN(C(=O)CS[C@@H]2CCS(=O)(=O)C2)C1 1363120628 DFGYNLZKGXYSNR-PWSUYJOCSA-N 318.420 -0.216 30 20 DBED N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)C[C@H]1CCC(=O)N1 1363558573 JGADCZFKWSHHFH-SECBINFHSA-N 318.337 -0.275 30 20 DBED COc1cc(C#N)ccc1S(=O)(=O)NC[C@H]1CNC(=O)C1 1364872069 OHOLRZNTXIDBCI-SNVBAGLBSA-N 309.347 -0.019 30 20 DBED CC(C)NC(=O)NC(=O)[C@H](C)N1CC(NC(=O)[C@@H](C)C#N)C1 1377872207 LZIBEOVJJJQGGS-UWVGGRQHSA-N 309.370 -0.431 30 20 DBED CCN1CCO[C@H](C(=O)NCC2(NC(=O)[C@H](C)C#N)CC2)C1 1378847103 NFTDPPNSYKUWMO-NEPJUHHUSA-N 308.382 -0.368 30 20 DBED CCN(C)CCC(=O)N1CCN(CCNC(=O)[C@@H](C)C#N)CC1 1385536438 JGRVONCTLQXFJC-AWEZNQCLSA-N 323.441 -0.252 30 20 DBED N#Cc1ccc(C(=O)NC[C@@H](O)CNC(=O)[C@@H]2CCOC2)[nH]1 1389071052 AKMJIKIZRIFXPS-KOLCDFICSA-N 306.322 -0.870 30 20 DBED COc1cccc(C(=O)NC[C@@H](O)CNC(=O)[C@H](C)C#N)n1 1399871120 NQBDRXPMVRLRBF-ZJUUUORDSA-N 306.322 -0.543 30 20 DBED C[C@H](CNC(=O)c1ccc(C(N)=O)cn1)NC(=O)[C@H](C)C#N 1410276938 AHTDUSXXGAJDQE-RKDXNWHRSA-N 303.322 -0.425 30 20 DBED N#CC1(c2ccccn2)CCN(C(=O)Cn2nnc(N)n2)CC1 1412883127 JHCRTAIDVDOZOT-UHFFFAOYSA-N 312.337 -0.266 30 20 DBED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCOCN1 1413594595 LNKQTFHMPZMYNM-UHFFFAOYSA-N 324.362 -0.564 30 20 DBED C[C@H]1CCCN(CCNC(=O)Cn2cc(C#N)c(O)nc2=O)C1 1417610988 JJJLUSZDMREPCJ-NSHDSACASA-N 319.365 -0.331 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(CCNC(=O)c2cncn2C)CC1 1427695455 OXKKFYKFHBWXGH-LBPRGKRZSA-N 318.381 -0.546 30 20 DBED CC(=O)N1CC(C(=O)NC[C@H](C)NC(=O)c2cc(C#N)c[nH]2)C1 1428594589 XMQYSHBBWAEHOQ-VIFPVBQESA-N 317.349 -0.401 30 20 DBED C[C@H](C#N)C(=O)N1CCC(NC(=O)[C@@H](C)S(C)(=O)=O)CC1 1429681565 FYHXVNBIOKADLV-NXEZZACHSA-N 315.395 -0.314 30 20 DBED CCCn1cc(C(=O)NC[C@H](O)CNC(=O)[C@H](C)C#N)nn1 1433332479 FFWSCIPBYMSGCJ-NXEZZACHSA-N 308.342 -0.945 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CC[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)CC1 1451367142 JCKVZBSMJKPQGL-OOCWMUITSA-N 306.366 -0.189 30 20 DBED N#CC1(CNC(=O)c2cn(C[C@H]3CNC(=O)O3)nn2)CCC1 1451665090 KKYFAWVKUNXJJN-SECBINFHSA-N 304.310 -0.190 30 20 DBED CC(C)NC(=O)CN(CCO)C1CCN(C(=O)[C@@H](C)C#N)CC1 1489352968 NBLJZGHLKZSEHJ-ZDUSSCGKSA-N 324.425 -0.044 30 20 DBED Cc1[nH]nc(Cl)c1C(=O)N[C@@H]1CCN(CC(=O)NCC#N)C1 1490545302 CPSVMXIMGCNRCO-SECBINFHSA-N 324.772 -0.185 30 20 DBED CCN1C[C@H](C(=O)NC2(CNC(=O)[C@@H](C)C#N)CC2)CC1=O 1506192782 PEACARQEDVMNMJ-WDEREUQCSA-N 306.366 -0.221 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)c2ccc(C(N)=O)cn2)CC1 1535578999 XIRDOPDEBRBJKE-VIFPVBQESA-N 315.333 -0.281 30 20 DBED C#CCN(C(=O)C(=O)NC[C@@H](CC)C(=O)O)C1CCN(C)CC1 1588395023 AYIMAZRIRUCIGQ-GFCCVEGCSA-N 323.393 -0.231 30 20 DBED C[C@](O)(CNC(=O)C(=O)Nc1cccc(OCC#N)c1)C(=O)O 1589138264 MCXGDAQGLXJMAW-AWEZNQCLSA-N 321.289 -0.521 30 20 DBED Cc1nc([C@H]2CCN(c3cnc(-c4nn[nH]n4)c(C#N)n3)C2)n[nH]1 1592358291 XLNMHQTVJKLBND-QMMMGPOBSA-N 323.324 -0.051 30 20 DBED N#Cc1cc(C(=O)NCCN=c2cc[nH]cc2-c2nn[nH]n2)c[nH]1 1592687741 CIVPFHUNBNVFIP-UHFFFAOYSA-N 323.320 -0.275 30 20 DBED CC1(C(=O)O)CN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)C1 1593802864 MYPOEJIRNQYRDF-QXMHVHEDSA-N 307.306 -0.164 30 20 DBED N#Cc1ccc([C@H](O)C(=O)O[C@H]2CCN(CC(=O)O)C2=O)cc1 1594617751 KCHJHGMXLYIODP-AAEUAGOBSA-N 318.285 -0.180 30 20 DBED CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1C(=O)O 1598634859 YFAPYRXLZRRKGB-ZETCQYMHSA-N 311.319 -0.331 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)N2CC[C@H](C(=O)O)C2)CCN1C1CC1 1601060562 CLKAABFAKACIFI-JQWIXIFHSA-N 320.349 -0.882 30 20 DBED N#Cc1sccc1S(=O)(=O)N[C@H](CC(=O)O)C(=O)O 1601135717 KWZLFZRJIZYSLG-RXMQYKEDSA-N 304.305 -0.174 30 20 DBED C=CC[C@@H](OC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)C(=O)O 1602844439 BSKHHOOZIIIJIR-WXRNXJFHSA-N 323.301 -0.279 30 20 DBED Cn1cc(C#N)c(NC(=O)N2CCC[C@@H]2C(=O)NCC(=O)O)n1 1608093413 FROIURMQTRJSHM-SECBINFHSA-N 320.309 -0.511 30 20 DBED N#Cc1nc(C(=O)O)ccc1N1CCC[C@@]2(C1)NC(=O)NC2=O 1608223836 LISVFQOXPFAGBT-AWEZNQCLSA-N 315.289 -0.170 30 20 DBED COCC#CCN[C@H]1C[C@H](NC(=O)c2cnc3[nH]nnc3c2)C1 1752635874 LCUUXZNEKHMMMO-HAQNSBGRSA-N 314.349 -0.147 30 20 DBED C=CCN1CC[C@H](N(C)CCNC(=O)[C@H]2CCNC(=O)C2)C1=O 1753046105 MKGWKHPXSMGNGU-STQMWFEESA-N 322.409 -0.653 30 20 DBED COCC#CCN1CCC[C@H]1CNC(=O)CN1C(=O)CCC1=O 1753116411 VEWWMOXHLWUNGP-ZDUSSCGKSA-N 321.377 -0.634 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)C2CCOCC2)C[C@H]1C 1753751036 LCTLXEXHPUZYLJ-UKRRQHHQSA-N 321.421 -0.011 30 20 DBED C#CCCN[C@@H]1CCN(C(=O)CCNC(=O)COC)C[C@H]1C 1753755859 WXXNOTMZDKYNBF-ZIAGYGMSSA-N 309.410 -0.011 30 20 DBED CS(=O)(=O)NCCC(=O)N1CCCC[C@@H]1CCNCC#N 1753777214 OHLPLEMVGNTUSK-GFCCVEGCSA-N 316.427 -0.190 30 20 DBED CC#CCNC[C@@H](O)CNC(=O)c1cnoc1-c1cnn(C)c1 1753922901 YSFBWHHHANUKEO-GFCCVEGCSA-N 317.349 -0.221 30 20 DBED C=CCNC(=O)CNC/C=C\CNC(=O)c1nnn(C)c1C 1754104969 ACNDUOACKFPFNW-WAYWQWQTSA-N 306.370 -0.699 30 20 DBED N#CCNC(=O)CNC[C@@H]1CCCC[C@H]1NC(=O)c1ncc[nH]1 1754342284 WEGALHIITUMNQL-NWDGAFQWSA-N 318.381 -0.072 30 20 DBED C=CCCNC[C@H](NC(=O)CN1C(=O)CN(C)C1=O)C1CC1 1754460310 PQLFXLMDRKEYDW-LBPRGKRZSA-N 308.382 -0.059 30 20 DBED C=CCCN1CC(CCO)(NC(=O)C[C@@H]2CCN(C)C2=O)C1 1755333032 URKLPCQMMCACNR-ZDUSSCGKSA-N 309.410 -0.016 30 20 DBED C=CCCN1CC(CCO)(NC(=O)[C@@H]2CCCN(C(N)=O)C2)C1 1755333859 LJUIRBLSVACCBS-CYBMUJFWSA-N 324.425 -0.094 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](CNC(=O)c3ccnnc3)[C@H]2C1 1755431750 LZDNGDOMMUYRNN-ZSOGYDGISA-N 315.377 -0.314 30 20 DBED C#CCOCCC(=O)N1CCO[C@H]([C@@H](C)NCC#CCOC)C1 1755442674 VFDOGARCOXAWMR-CVEARBPZSA-N 322.405 -0.118 30 20 DBED C[C@@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)c1cn(C)cn1 1755649704 BQPBVFCRFHXEDN-MNOVXSKESA-N 304.354 -0.748 30 20 DBED C=CC(C)(C)CC(=O)NC[C@H](CO)NC(=O)[C@@H]1CCC(=O)N1 1756524514 XZVMWSDVIQEDQG-MNOVXSKESA-N 311.382 -0.539 30 20 DBED C#CCCCCC(=O)N[C@@H](CO)CNC(=O)c1ccnnc1 1756551840 KAWRCBGKJHQKHO-CYBMUJFWSA-N 304.350 -0.123 30 20 DBED C[C@@H](CC(=O)NCC1=CCN(C(=O)[C@@H](C)C#N)CC1)NC(N)=O 1756769639 IRWNEUSXOJFKQM-QWRGUYRKSA-N 321.381 -0.132 30 20 DBED CCC(=O)NC1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC1 1772122852 FOJPCNHDWDSUHJ-UHFFFAOYSA-N 319.365 -0.549 30 20 DBED C[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1CC1)C2 1800747234 RXCFYSFJFTUBOK-IKVITTDRSA-N 306.362 -0.630 30 20 DBED C#CC(=O)N1CCCC[C@H]1c1cc(NC(=O)CNC(N)=O)n[nH]1 1823540261 PBXJEQMMDJJYHS-JTQLQIEISA-N 318.337 -0.297 30 20 DBED C/C=C/C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1839813006 JFZMFBDMBGBSPR-FAAWYNLUSA-N 307.350 -0.067 30 20 DBED CN(CCC#N)S(=O)(=O)N1CCN(C(=O)C2CC2)CC1 27976568 YOSCAEHAQKKHQQ-UHFFFAOYSA-N 300.384 -0.369 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O 63095112 KEEJLVRAOHANOL-QMMMGPOBSA-N 300.340 -0.993 30 20 DBED CN(CCC(=O)N(C)CCC#N)C[C@@H](O)CN1CCOCC1 92800151 GLJGGYJJRSRFMW-CQSZACIVSA-N 312.414 -0.627 30 20 DBED CC(C)[C@@](C)(C#N)NC(=O)CN1CCN(C(=O)[C@@H](C)O)CC1 152942354 YWGGXWFOPKQCPM-IUODEOHRSA-N 310.398 -0.434 30 20 DBED C#CCNC(=O)[C@H](NS(=O)(=O)c1ccc(C)cc1)[C@H](C)O 193822864 GQEKBEBQUWNQKZ-WCQYABFASA-N 310.375 -0.228 30 20 DBED COc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(C)C(=O)C1 267472621 SLRAVIFWCQQQCM-UHFFFAOYSA-N 316.317 -0.194 30 20 DBED CC[C@H](CNS(C)(=O)=O)NS(=O)(=O)c1ccc(C#N)o1 295638388 DGGAHFZLEDMYEK-MRVPVSSYSA-N 321.380 -0.243 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)NCCN1CCOC[C@H]1C 330373915 BNTVYHYETBNNLB-NWDGAFQWSA-N 304.416 -0.367 30 20 DBED N#C[C@@H]1COCCN1C(=O)CSCC(=O)N1CCOCC1 330890410 HGHXLPUQWYNQPV-LLVKDONJSA-N 313.379 -0.671 30 20 DBED C=CCCCC(=O)N1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 330981655 OCGXRSIRHXTLSO-STQMWFEESA-N 316.423 -0.355 30 20 DBED C[C@H]1C[C@H](N2CCOCC2)CN1C(=O)Cn1cnc(C#N)n1 332209305 UIOAZNDKLXDMEN-RYUDHWBXSA-N 304.354 -0.529 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CCC(O)(COC)CC1 336952331 VRLXSNRYHKNOBY-UHFFFAOYSA-N 305.400 -0.060 30 20 DBED CC(=O)c1cn(CC(=O)NC2(C#N)CCC2)c(=O)n(C)c1=O 344092574 DUYWJCQGOKULQV-UHFFFAOYSA-N 304.306 -0.688 30 20 DBED N#Cc1ccc(Cl)c(S(=O)(=O)N[C@H](CO)C(N)=O)c1 352631323 VMNIVXBDKGJEEY-MRVPVSSYSA-N 303.727 -0.664 30 20 DBED CC[C@H](C)[C@@H](NS(C)(=O)=O)C(=O)N1CC(O)(CC#N)C1 356874218 LXGDMAGIEHHJDF-VHSXEESVSA-N 303.384 -0.563 30 20 DBED Cc1ccc(C[C@H](CO)NC(=O)NCC(=O)NCC#N)cc1 358268756 CEHKQVXPXXUQDT-CYBMUJFWSA-N 304.350 -0.163 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)Nc2c[nH]c(C(N)=O)c2)C1=O 362556554 BBHNSYPNJMBAGF-UHFFFAOYSA-N 319.277 -0.971 30 20 DBED Cn1c(N2CCOC[C@@H]2[C@H]2CCCO2)c(C#N)c(=O)n(C)c1=O 376259502 CYXDLVAJJDKPBA-VXGBXAGGSA-N 320.349 -0.660 30 20 DBED Cn1cc(Cl)c(CNc2c(C#N)c(=O)n(C)c(=O)n2C)n1 450717960 MLPWMMQJQLXVKY-UHFFFAOYSA-N 308.729 -0.045 30 20 DBED C#CCNC(=O)C1CCN(S(=O)(=O)[C@@H](C)COC)CC1 491047055 SSHWOBRDWPGBLY-NSHDSACASA-N 302.396 -0.188 30 20 DBED C#C[C@H](C)N(C)S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 491626394 SIXJPUUKEDJGGA-VIFPVBQESA-N 302.377 -0.024 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCc2ncccc2F)C1=O 530302794 WOTFIBPJNGZETA-UHFFFAOYSA-N 320.280 -0.186 30 20 DBED CN(C)CCCN(CCC#N)C(=O)c1nc(N)nc(N(C)C)n1 564463803 XVPWRYLEJQTEQX-UHFFFAOYSA-N 320.401 -0.173 30 20 DBED N#Cc1ccc2c(c1)N(C(=O)CN1CCOCC1=O)CC(=O)N2 580819893 UJDOGJNSDWLAPC-UHFFFAOYSA-N 314.301 -0.298 30 20 DBED C=C[C@](C)(O)C(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1 616484944 AYLOETPAESZGKO-HNNXBMFYSA-N 304.350 -0.234 30 20 DBED COC(=O)c1ccc(O)c(C=NNC(=S)NCC(N)=O)c1 731929228 BVXVCUIQJURQQN-UHFFFAOYSA-N 310.335 -0.538 30 20 DBED C[C@H](OC(=O)CNS(=O)(=O)c1ccccc1C#N)C(=O)O 737705459 JIEUPNDKCGJRSF-QMMMGPOBSA-N 312.303 -0.147 30 20 DBED CC[C@H](C#N)OC(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1 756301038 LYYWQRVOBLXUHB-DTWKUNHWSA-N 300.340 -0.068 30 20 DBED C#CCNC(=S)Nc1cnn(CC(=O)NCCN(C)C)c1 758245639 HXOUINCMVZQXCX-UHFFFAOYSA-N 308.411 -0.520 30 20 DBED C#CCOCCNC(=O)N1CCC(C(=O)N2CCOCC2)CC1 784546630 WKQWSFDMLGOHNQ-UHFFFAOYSA-N 323.393 -0.083 30 20 DBED C#C[C@H](NC(=O)C(=O)NCCOC[C@H]1CCCO1)[C@H]1CCCO1 803560133 VYGNMIQIAWBAMA-HZSPNIEDSA-N 324.377 -0.405 30 20 DBED C#C[C@@H](NC(=O)C(=O)NCCN(CC)C1CC1)[C@H]1CCCO1 804224098 WXNNYBCEICOWGA-ZIAGYGMSSA-N 307.394 -0.116 30 20 DBED CN(C)CC#CCNC(=O)CN1C(=O)NC2(CCCCC2)C1=O 823674810 AXIKXUBHEDOIPK-UHFFFAOYSA-N 320.393 -0.078 30 20 DBED C=CCOCC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[nH]n1 823925917 QYDZAWMYSFMVHE-UHFFFAOYSA-N 320.357 -0.234 30 20 DBED Cc1cc(C(=O)N(CC#N)CC(=O)O)nc2nc(O)nc(O)c12 832860353 PXAWMHVSQDQVHR-UHFFFAOYSA-N 317.261 -0.205 30 20 DBED C=CCn1cc(C(=O)NS(=O)(=O)CC(=O)OCC)nn1 842748386 CIFVPBRWSWWVFV-UHFFFAOYSA-N 302.312 -0.913 30 20 DBED CC1=C(C(=O)N[C@@H]2CNC[C@H]2C#N)[C@H](C)n2ncnc2N1C 843460337 NSMBRYZURMXNIW-HBNTYKKESA-N 301.354 -0.209 30 20 DBED Cc1cc(C(=O)N[C@@H]2CNC[C@@H]2C#N)cc(S(N)(=O)=O)c1C 843461182 KKAQGXIDGHCLPA-NWDGAFQWSA-N 322.390 -0.208 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N[C@H]2CCCC23OCCO3)CCO1 851815804 SVLJHGZSARZOLY-MNOVXSKESA-N 317.367 -0.659 30 20 DBED C#C[C@H](NC(=O)C(=O)NC[C@H](C(=O)O)C1CCC1)[C@H]1CCCO1 853345834 KRSONFIELRVELO-RWMBFGLXSA-N 322.361 -0.100 30 20 DBED C#CCn1cc(CNS(=O)(=O)N(C)C2CCOCC2)cn1 882347963 SPRMHXGXUOFAMK-UHFFFAOYSA-N 312.395 -0.039 30 20 DBED CN1C[C@H](C(=O)N[C@H]2CCN(C(=O)C#CC3CC3)C2)NC1=O 938409719 VZHCYGWCIIGIGT-NWDGAFQWSA-N 304.350 -0.860 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@@H](N(C)C(=O)[C@@H]2CNC(=O)N2)C1 939009268 ZNKRXQQOUOYIGV-MNOVXSKESA-N 308.382 -0.061 30 20 DBED C[C@@H](C#N)C(=O)N1CCCN(C(=O)CCN2CCOCC2)CC1 941622129 KEBTYVFKOOMACL-AWEZNQCLSA-N 322.409 -0.071 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CN2CCNC(=O)C2)[C@H](C)C1 942560135 LIPSCNQLUGEGSW-ZIAGYGMSSA-N 306.410 -0.732 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@H](CNC(=O)c2cc(=O)n(C)o2)C1 944572088 VHKBMGIKJGQDFI-VHSXEESVSA-N 322.321 -0.905 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2CCN2C(=O)Cc2nc[nH]n2)cn1 951381481 HWYUVYCGRILSKF-CYBMUJFWSA-N 324.344 -0.246 30 20 DBED N#Cc1cc(C(=O)N2CC[C@@H]2CNC(=O)[C@@H]2CCNC2=O)c[nH]1 951459871 NKPZMBRXXKKWNV-VXGBXAGGSA-N 315.333 -0.647 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@@H]2CCOC2)C1 953853367 KNNDDWMZKNCTDG-HIFRSBDPSA-N 319.405 -0.210 30 20 DBED CC1(NC(=O)[C@H]2CNC(=O)N2)CCN(C(=O)C#CC2CC2)CC1 956472044 FOWDONJHVJQKLM-GFCCVEGCSA-N 318.377 -0.422 30 20 DBED C=CCn1cc(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)C(C)C)C2)nn1 958629156 IYANASBMUAKLNA-STQMWFEESA-N 321.381 -0.236 30 20 DBED CN(C(=O)[C@]1(F)CCOC1)[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 958931674 BNZAROSCRWMRKN-XEZPLFJOSA-N 324.352 -0.442 30 20 DBED C=CCN1CC[C@@H](N(C)C[C@@H]2CCCN2C(=O)CC(N)=O)C1=O 960496716 GJLCUVPWUSRNSP-QWHCGFSZSA-N 322.409 -0.429 30 20 DBED C=C(Cl)CN1C[C@@H]2C(NC(=O)Cn3ccc(O)nc3=O)[C@H]2C1 960868760 XQVRBBSELFONLH-UWVGGRQHSA-N 324.768 -0.252 30 20 DBED Cc1cnn(CC(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)c1 961787115 GIZBHYYSBOZRQF-TUAOUCFPSA-N 305.338 -0.961 30 20 DBED CC#CCN1CC[C@@H](C)[C@@H](NC(=O)CN2CCOCC2=O)C1 966753595 PLCXPKBDOAYGJO-KGLIPLIRSA-N 307.394 -0.305 30 20 DBED CC#CCN1CC[C@H](C)[C@@H](NC(=O)CN2CCNC(=O)C2)C1 967725395 UBTXFYRSRXTIPB-KBPBESRZSA-N 306.410 -0.732 30 20 DBED CC(=O)N1CC(C(=O)N(C)C[C@H]2CCN2C(=O)[C@@H](C)C#N)C1 977652496 YLMOFGGMVNMICA-GXFFZTMASA-N 306.366 -0.316 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]1CN(C)C(=O)C1CC(=O)NC(=O)C1 978015494 OMOVRDRLHFRONM-MWLCHTKSSA-N 320.349 -0.742 30 20 DBED C[C@@H](NCc1ncnn1C)[C@@H]1CN(C(=O)C#CC2CC2)CCO1 979329501 IQKKJJMASGYBSQ-OCCSQVGLSA-N 317.393 -0.066 30 20 DBED N#CCN[C@@H]1CCC[C@@H](NC(=O)Cn2ccc(O)nc2=O)C1 981205221 DXFLTZFAWIJOHB-GHMZBOCLSA-N 305.338 -0.511 30 20 DBED C#CCN1CCCC2(C1)CN(C(=O)CN1CCCNC1=O)C2 981870952 JECVOKVBCDPZJK-UHFFFAOYSA-N 304.394 -0.041 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CCCCCN(C(=O)C(N)=O)C2)c1 987133605 DFHHBOLKRRTFIO-LLVKDONJSA-N 317.349 -0.127 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CN(C)C(=O)[C@@H]2CNC(=O)N2)CC1 988626181 WCAYGMYKFLFLFS-JQWIXIFHSA-N 321.381 -0.476 30 20 DBED N#Cc1c[nH]c(C(=O)NC2CN(C(=O)c3cc[n+]([O-])cc3)C2)c1 990696527 TXZSQZFSZQESKU-UHFFFAOYSA-N 311.301 -0.226 30 20 DBED C#Cc1ccc(C(=O)N2CC(NC(=O)[C@H]3CCN(C)C3)C2)cn1 991718260 RRVUFNFDZAHBEY-ZDUSSCGKSA-N 312.373 -0.045 30 20 DBED Cc1nnc2n1C[C@H](C(=O)NC1CN(C(=O)[C@@H](C)C#N)C1)CC2 992757893 WPJBTKCRLMTDFL-GXSJLCMTSA-N 316.365 -0.364 30 20 DBED CC1(C)CN(C(=O)CN2CCCS2(=O)=O)C[C@H]1NCC#N 995888211 RYRLZYGRIUBSPI-LLVKDONJSA-N 314.411 -0.628 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)c3nccnc3N)C2)nc1 997086912 BVLZIIUECDRSLP-UHFFFAOYSA-N 322.328 -0.311 30 20 DBED C=CCn1cc(C(=O)N2CC(NC(=O)[C@@]3(C)CCOC3)C2)nn1 998426779 DRRZZTFFYNLOGD-HNNXBMFYSA-N 319.365 -0.169 30 20 DBED C[C@H]1C[C@@H](C(=O)NCC2CN(C(=O)C#CC3CC3)C2)CC(=O)N1 1003002448 WZTXNQZLSOUTSY-SMDDNHRTSA-N 317.389 -0.111 30 20 DBED C#Cc1cncc(C(=O)NCC2CN(C(=O)c3cnn[nH]3)C2)c1 1004200431 DPNFMLFNOKQDDI-UHFFFAOYSA-N 310.317 -0.317 30 20 DBED C=CCCN1CC[C@H](NC(=O)CN2CCCS2(=O)=O)C1 1014643468 PEBPSPWMHMGPEC-LBPRGKRZSA-N 301.412 -0.212 30 20 DBED C#CCOc1ncccc1C(=O)N[C@H]1CCN(CC(N)=O)C1 1016014564 ZFUKRMJDGZMHLJ-NSHDSACASA-N 302.334 -0.617 30 20 DBED C#CCN1CCC(C(=O)N[C@H]2CCN(CC(=O)N(C)C)C2)CC1 1016335096 AKYQNOCPJJUMAR-HNNXBMFYSA-N 320.437 -0.390 30 20 DBED C[C@@H](C#N)C(=O)N1CC=C(CNC(=O)c2cn(C)nn2)CC1 1017426210 QGCJQNABBMWJAJ-JTQLQIEISA-N 302.338 -0.137 30 20 DBED C=CCn1cc(C(=O)N2CCO[C@H]3CCN(C(C)=O)C[C@H]32)nn1 1019819388 OWFKTPNYQSGEEL-KGLIPLIRSA-N 319.365 -0.074 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H](N[C@H]2CCNC2=O)C1 1020250868 VFWLMTOUZKIJJH-XUXIUFHCSA-N 304.394 -0.791 30 20 DBED C#CCN1[C@H]2CC[C@H]1CC(NC(=O)Cn1cnc(C(N)=O)n1)C2 1021263061 JFQYJTLWJRORRC-RYUDHWBXSA-N 316.365 -0.878 30 20 DBED CCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2O)cn1 1023223977 BOCPZIZQAVHYOY-MVWJERBFSA-N 305.338 -0.636 30 20 DBED CCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2O)cn1 1023223978 BOCPZIZQAVHYOY-YUSALJHKSA-N 305.338 -0.636 30 20 DBED Cn1nc(C(=O)N2C[C@@H]3CC[C@@H](NCC#N)[C@H]3C2)ccc1=O 1026413878 JHUDNUBOEOKQJQ-SDDRHHMPSA-N 301.350 -0.256 30 20 DBED N#Cc1ccc(C(=O)NC2CN(C[C@H]3CCS(=O)(=O)C3)C2)[nH]1 1030225217 TUXMDHWDYHWJQK-SNVBAGLBSA-N 322.390 -0.265 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)CN3CC[C@H](C)C3)C2)C1=O 1030960509 UFDONGGATJXRDM-ZFWWWQNUSA-N 320.437 -0.085 30 20 DBED C=CCN1CC[C@@H](N2CC[C@@H](NC(=O)[C@H]3CCC(=O)N3)C2)C1=O 1032834290 KYZBWKKZXUSQFZ-JHJVBQTASA-N 320.393 -0.758 30 20 DBED C=CCN1CCO[C@@H](CNC(=O)c2ccc(=O)n(CC)n2)C1 1035550929 HNEVNAGDZNBNSD-LBPRGKRZSA-N 306.366 -0.120 30 20 DBED CCn1ccc(C(=O)NC[C@]2(O)CCN(C(=O)[C@@H](C)C#N)C2)n1 1039713546 MSDFJIWRIZGLJO-XHDPSFHLSA-N 319.365 -0.244 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)c2cnnc(O)c2)C1 1040130762 UESPDHKNJDRJFI-XPTSAGLGSA-N 319.321 -0.965 30 20 DBED CC(C)(C)C#CC(=O)N1CC[C@](O)(CNC(=O)c2nc[nH]n2)C1 1040551622 UBSIBZPHGGJUEO-HNNXBMFYSA-N 319.365 -0.453 30 20 DBED C[C@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)Cc2ccnn2C)C1 1040760101 FNTIXQBUFDIMQY-ABAIWWIYSA-N 319.365 -0.798 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)[C@H]2CCCO2)C1 1041359375 OCEJPSGPZHFXEH-NWDGAFQWSA-N 312.366 -0.554 30 20 DBED N#CCSCC(=O)NCC1(O)CN(C(=O)c2cc[nH]c2)C1 1041574827 MTQKUBKEBPITKU-UHFFFAOYSA-N 308.363 -0.425 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)c2ocnc2C)C1 1042040231 QVZJYWZYJDLIMQ-UHFFFAOYSA-N 309.322 -0.511 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)[C@H](OC)C2CC2)C1 1042844165 ZNPGLTSBEQGVMF-CQSZACIVSA-N 324.377 -0.859 30 20 DBED N#CCSCC(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042958304 JAQRXIVXHDOSSL-UHFFFAOYSA-N 307.375 -0.654 30 20 DBED C[C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1Nc1cncc(C#N)n1 1043185175 LVGVKDIJYZLFKC-ZYHUDNBSSA-N 312.337 -0.101 30 20 DBED N#Cc1nccnc1N1C[C@H](O)[C@H](NC(=O)[C@H]2CCOC2)C1 1043864934 DPPPSNVUIRLBPV-WCQGTBRESA-N 303.322 -0.950 30 20 DBED Cn1ccc(C(=O)N[C@@H]2CN(c3ccncc3C#N)C[C@@H]2O)n1 1043971946 RFJZNABUBXKURJ-OCCSQVGLSA-N 312.333 -0.334 30 20 DBED C#Cc1ccc(C(=O)NCC2(O)CN(C(=O)[C@H](C)C#N)C2)cn1 1044255355 YPBJDHUHXPNPCD-LLVKDONJSA-N 312.329 -0.474 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)c2ccncn2)C1 1045174460 RFYPVULERMVYQB-UHFFFAOYSA-N 304.350 -0.008 30 20 DBED C=CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)Cc2ncc[nH]2)C1 1045286435 LQDSZPGPHYYISN-LLVKDONJSA-N 322.365 -0.767 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cnn3c2CCC3)C1 1047403209 DJBURIZSKWCNBZ-GJZGRUSLSA-N 302.378 -0.030 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CSC)C1 1048188405 CPGCPAPRZKSGPF-SRVKXCTJSA-N 314.407 -0.582 30 20 DBED C[C@@H]1[C@@H](NC(=O)c2nnn(C)n2)CCN1c1ccc(C#N)nn1 1050896379 HKXWZAAQFFCGPI-SCZZXKLOSA-N 313.325 -0.731 30 20 DBED N#CCN1CCOC[C@H]1CNC(=O)[C@H]1CCc2nccn2C1 1050988551 GTGDJRMMZVNBGX-QWHCGFSZSA-N 303.366 -0.214 30 20 DBED CC#CCN1CCOC[C@H]1CNC(=O)[C@H]1CCCS1(=O)=O 1051255432 SLMAHAIKIPRAHH-CHWSQXEVSA-N 314.407 -0.596 30 20 DBED C#CCN1CCN([C@@H]2CCN(C(=O)C3=COCCO3)C2)CC1 1051977520 YOQJXXCMVBLJII-CQSZACIVSA-N 305.378 -0.274 30 20 DBED C#CCN1CC2(C1)CN(C(=O)CCc1nc(C)no1)CCO2 1053365028 HUMMZDJZWQJDBN-UHFFFAOYSA-N 304.350 -0.143 30 20 DBED CN1C[C@H](C(=O)N2CCOC3(CN(CC#N)C3)C2)CCC1=O 1053543068 WSXBOBAZPDHGAF-GFCCVEGCSA-N 306.366 -0.708 30 20 DBED NC(=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](CNC(=O)C#CC1CC1)C2 1053812513 PNXYGYJKPZGEKA-CLLJXQQHSA-N 303.362 -0.229 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)c3cccn4nnnc34)CO2)C1 1053814611 RSPWDKOVYBOBIE-LLVKDONJSA-N 312.333 -0.669 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)c3cccc(C(N)=O)c3)CO2)C1 1053849226 FAOLDLIQWJZFDX-CYBMUJFWSA-N 314.345 -0.118 30 20 DBED CC(C)c1nnnn1CC(=O)N[C@H]1COC2(C1)CN(CC#N)C2 1053949480 IUYHWNOYNFOIDL-LLVKDONJSA-N 319.369 -0.720 30 20 DBED CN1CC[C@H](C(=O)N2CCN(c3ccnc(C#N)n3)CC2)C1=O 1055973303 ATKOMBGZDMMCAE-NSHDSACASA-N 314.349 -0.525 30 20 DBED C[C@H](C#N)C(=O)N[C@]1(CO)CCCN(C(=O)Cn2cccn2)C1 1056093834 OCXAHFDXDJVHLQ-IUODEOHRSA-N 319.365 -0.488 30 20 DBED Cc1ncc(C(=O)N2CCC[C@](CO)(NC(=O)[C@@H](C)C#N)C2)[nH]1 1056094907 YMDGUVYVELYCAN-BONVTDFDSA-N 319.365 -0.039 30 20 DBED C[C@@H](C#N)C(=O)N[C@]1(CO)CCCN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1056098015 YILZFPKTXWIMMJ-LVYCXYHQSA-N 321.377 -0.492 30 20 DBED C#CCOCCC(=O)N1CC[C@H]2[C@@H]1CCCN2C(=O)CC(N)=O 1056323489 FSERTXVABNKADQ-STQMWFEESA-N 321.377 -0.506 30 20 DBED CN(c1cnc(C#N)cn1)[C@@H]1CCN(C(=O)[C@@H]2COCCO2)C1 1056869832 RYKIDSZBORWRNQ-OLZOCXBDSA-N 317.349 -0.199 30 20 DBED COCCCC(=O)NCCN(CCO)C(=O)c1cc(C#N)c[nH]1 1057291888 UCUDKYRBJRPSCA-UHFFFAOYSA-N 322.365 -0.136 30 20 DBED C#CCO[C@H](C)C(=O)N(CCO)CCNC(=O)[C@H](F)CC 1057587828 MKAJQQZDLMJMLB-VXGBXAGGSA-N 302.346 -0.290 30 20 DBED N#Cc1cnc(N[C@H]2CCCN(C(=O)[C@@H]3COC(=O)N3)C2)cn1 1057631675 UQMIIRGTENBYSQ-ONGXEEELSA-N 316.321 -0.140 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)c1ccc(C(N)=O)o1 1058204995 KOOVIGORLQOFOD-UHFFFAOYSA-N 323.349 -0.105 30 20 DBED N#Cc1cnc(N2CC[C@H](NC(=O)CN3CCOCC3)C2)cn1 1058324235 BLAXVHVZNUNRIQ-LBPRGKRZSA-N 316.365 -0.625 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(CCO)CCNC(=O)C(F)F 1058874249 QXTXKRVDHDPYJX-ZJUUUORDSA-N 306.309 -0.220 30 20 DBED N#Cc1cnc(N[C@H]2CCN(C(=O)Cn3ncnn3)C2)c(F)c1 1058969881 HYGIUVSPUMPHTR-JTQLQIEISA-N 316.300 -0.208 30 20 DBED C=CCOCC(=O)NCC[C@@H]1CCN(C(=O)CNC(C)=O)C1 1059050211 MILYGTWKOGMIDE-CYBMUJFWSA-N 311.382 -0.320 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1C[C@H](NC(=O)[C@@H]2CC[C@H]2C(N)=O)C1 1059368055 CKQWGSPEGKYVEL-FDYHWXHSSA-N 313.361 -0.054 30 20 DBED N#CCSCC(=O)N1CC2(CCN(C(=O)CC(N)=O)CC2)C1 1060910768 DZDVWXGAOQLQKO-UHFFFAOYSA-N 324.406 -0.430 30 20 DBED CN(c1ccc(C#N)nn1)[C@@H]1CCCN(C(=O)CC(N)=O)C1 1061182899 SOMDNRCVOQCECX-LLVKDONJSA-N 302.338 -0.349 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(C(=O)[C@H]2COCCO2)CCO1 1064881342 SEEFBBSWDZVPIZ-UONOGXRCSA-N 322.361 -0.841 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H]1CN(C(=O)CCC=C)CCO1 1064955594 JFXMNDWEUZRBNX-CYBMUJFWSA-N 321.377 -0.564 30 20 DBED C=C(C)CCC(=O)N1CCO[C@@H](CNC(=O)CC(=O)NC)C1 1065219626 CEBJCYFJKXDZIW-LBPRGKRZSA-N 311.382 -0.178 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)[C@H]2CCN(C)C2=O)CCO1 1065479914 CZJUXTOAURXQMH-OLZOCXBDSA-N 323.393 -0.226 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)CSCC#N)C1 1065557204 ODSJBMFQEHKBPP-MNOVXSKESA-N 310.379 -0.254 30 20 DBED N#Cc1cncc(N2C[C@H]3CCN(C(=O)C(N)=O)CC[C@H]3C2)n1 1067458343 FGBMTUUZATWIHI-PHIMTYICSA-N 314.349 -0.492 30 20 DBED N#Cc1ccc(NCC2CC(NC(=O)[C@@H]3COC(=O)N3)C2)nn1 1067845970 OYWBNNFQJXKNQM-RFBVYIQQSA-N 316.321 -0.237 30 20 DBED N#Cc1cnc(N2C[C@H]3CC[C@H]2CN3C(=O)Cn2nccn2)cn1 1068053695 QJVFQGMULQYHQQ-QWHCGFSZSA-N 324.348 -0.180 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2cc(C)on2)C1 1069891927 ZJENEDSYIYWXLC-OLZOCXBDSA-N 300.322 -0.137 30 20 DBED C[C@@H](C(=O)N1C[C@H](n2ccnn2)[C@H](NCC#N)C1)n1cccn1 1070154931 FJXRFHDEJJOOCC-XQQFMLRXSA-N 314.353 -0.399 30 20 DBED Cn1ccc(C(=O)N2C[C@H]3C[C@@H]4CN(CC#N)C[C@]3(C2)O4)n1 1070889450 WSBGGINYCDCCMM-LALPHHSUSA-N 301.350 -0.141 30 20 DBED Cc1nc(CC(=O)N2C[C@@H](C)O[C@]3(CCN(CC#N)C3)C2)n[nH]1 1071166307 GIYRCNNFNIHGSF-ABAIWWIYSA-N 318.381 -0.129 30 20 DBED C#CCCCC(=O)N1C[C@@H](NC(=O)Cn2ncnn2)[C@H](C)C1 1071991543 KDGYFCQRIWZMIJ-VXGBXAGGSA-N 304.354 -0.560 30 20 DBED C#CCCN1CCCO[C@@H](CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 1073769997 YLYJQCPNZNGXJW-MELADBBJSA-N 323.393 -0.750 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2sccc2-n2ccnn2)C1 1077195666 JFPMMFOBXDZPPH-MWLCHTKSSA-N 318.362 -0.373 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)c2cc(C(N)=O)cn2C)C1 1077315149 IELNTBPONNBMCQ-DGCLKSJQSA-N 306.366 -0.525 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCCN2C(N)=O)C1 1077981711 YMEWQTIQKJPCCK-FRRDWIJNSA-N 308.382 -0.896 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2nnc(O)c3ccccc23)C1 1078054917 VPVAPLZHNRYAES-VXGBXAGGSA-N 313.317 -0.366 30 20 DBED CCN(C(=O)CCn1cncn1)C1CN(C(=O)[C@H](C)C#N)C1 1079309345 VARNWPMUYQWZHA-LLVKDONJSA-N 304.354 -0.113 30 20 DBED CCN(C(=O)C#CC1CC1)C1CN(C(=O)CC(=O)N(C)C)C1 1079741302 BIUHGXXZBQSXDJ-UHFFFAOYSA-N 305.378 -0.063 30 20 DBED C=CCOCC(=O)N1CC(N(CC)C(=O)CCCC(N)=O)C1 1080029120 GURPYAXTQKXYLO-UHFFFAOYSA-N 311.382 -0.096 30 20 DBED C[C@H](C#N)C(=O)NC1(CO)CCN(C(=O)[C@H](C)CC(N)=O)CC1 1080983276 JRUMYLZLIUTMGW-GHMZBOCLSA-N 324.381 -0.873 30 20 DBED C=CCOCC(=O)N1C[C@H](CNC(=O)CC(C)(C)O)[C@@H](O)C1 1081449455 IAGKWIHRWJGKMY-RYUDHWBXSA-N 314.382 -0.715 30 20 DBED C=CCCOCC(=O)NC[C@@H]1CN(C(=O)c2cc[nH]n2)C[C@H]1O 1081566292 FDTGQPOKRMQPJC-DGCLKSJQSA-N 322.365 -0.449 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@@H]1CC(=O)N(C(C)C)C1 1081756382 DRUCKLJMUTZBCL-JHJVBQTASA-N 308.382 -0.418 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cnn2cccnc12 1083160436 ZEWYVLGFIPLGBX-UONOGXRCSA-N 311.345 -0.112 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CCN1CCOCC1 1083224517 CNNSZRAXWVUWLO-UONOGXRCSA-N 308.382 -0.856 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)[C@H]2CC(=O)N(C(C)C)C2)C1 1083503935 INPYOZXUNSZCQO-MJBXVCDLSA-N 309.410 -0.019 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCn3cncc3C2)C1 1083579871 GOXPJDFPVAIQTN-CFVMTHIKSA-N 302.378 -0.370 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)c2cc(=O)c(OC)co2)C1 1083643034 ORUYRNHIVNDLIG-PWSUYJOCSA-N 306.318 -0.553 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2ocnc2C(F)(F)F)C1 1083668957 NUQOIUDLUDGQLR-RQJHMYQMSA-N 304.228 -0.008 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)c2cnn(CCOC)c2)C1 1084005211 NKUZNPXSVBXGPF-KGLIPLIRSA-N 308.382 -0.120 30 20 DBED C[C@@H]1[C@@H](NC(=O)[C@@H]2CCc3nnnn3CC2)CCN1CC#N 1088870987 QJIVDGWBUBECJB-UTUOFQBUSA-N 303.370 -0.272 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)CC2(CCOCC2)C1 1089959423 KDCYHSBDANOVBW-MJBXVCDLSA-N 319.405 -0.272 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2cn(CCOC)nn2)[C@H](O)C1 1090259656 VYQMEJSWXQDXIV-TZMCWYRMSA-N 321.381 -0.887 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2cc3n(n2)CCO3)[C@@H](O)C1 1090326304 HVKJDLWOEVJDRP-YPMHNXCESA-N 304.350 -0.536 30 20 DBED CC(=O)Nc1nc(C(=O)N[C@@H]2CCN(CC#N)C[C@@H]2O)cs1 1090380635 FKIJRHWKKXENEF-KOLCDFICSA-N 323.378 -0.210 30 20 DBED CO[C@H](C)CC(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1O 1090396242 ZOHZCVBDJSKYTD-YUSALJHKSA-N 305.338 -0.561 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2c(C)ncnc2O)[C@@H](O)C1 1090515471 TVYLYJWCIOZJOR-RYUDHWBXSA-N 304.350 -0.321 30 20 DBED C#CCCN1CC[C@@H](NC(=O)Cn2nnnc2C(C)C)[C@H](O)C1 1090634005 SGKWPQPATQHDHB-CHWSQXEVSA-N 320.397 -0.629 30 20 DBED C[C@H](NC(N)=O)C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1C 1090699466 KHYQBNVUWKIQOY-WCABBAIRSA-N 317.353 -0.654 30 20 DBED CN(C)c1ccc(C(=O)N[C@@H]2CCN(CC#N)C[C@@H]2O)nn1 1090733609 HJSDNCWAVQMHJB-PWSUYJOCSA-N 304.354 -0.769 30 20 DBED CC#CCN1CC[C@@H](NC(=O)C2CCN(C(C)=O)CC2)[C@@H](O)C1 1090795837 ZMDDQNZDGWFCIT-CVEARBPZSA-N 321.421 -0.180 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(c2nccc(OC)n2)C[C@@H]1O 1091149630 BMTSQPTYJLBBJN-NEPJUHHUSA-N 320.349 -0.809 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(c2ccnc(C)n2)C[C@@H]1O 1091153158 UFZXDGJPFWKFOO-RTXFEEFZSA-N 304.350 -0.511 30 20 DBED CNC(=O)CC(=O)N[C@H]1CCN(c2ncccc2C#N)C[C@H]1O 1092148764 UHKFTVMSTUKTMO-NWDGAFQWSA-N 317.349 -0.855 30 20 DBED N#Cc1ccc(N2C[C@@H]3C(NC(=O)CCNC(N)=O)[C@H]3C2)cn1 1093267446 JBTSHQDINCRTKH-RYUDHWBXSA-N 314.349 -0.438 30 20 DBED N#CCN1CC(OC2CCN(C(=O)C[C@H]3CCNC3=O)CC2)C1 1093542277 RRZONMWERKGSJN-GFCCVEGCSA-N 320.393 -0.272 30 20 DBED N#Cc1cnc(NCCNC(=O)CCCCNC(N)=O)cn1 1093989175 PDOGAFHHOKPBKP-UHFFFAOYSA-N 305.342 -0.285 30 20 DBED COC[C@@]1(C(=O)NCCN=c2cc[nH]c(C#N)n2)CCOC1 1094009641 GILXLXHMRFCEKK-AWEZNQCLSA-N 305.338 -0.649 30 20 DBED N#Cc1cncc(NCCNC(=O)[C@H]2CN3CCC[C@H]3CO2)n1 1094203078 KMNLRUXVAQKLCR-QWHCGFSZSA-N 316.365 -0.260 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)c3cn(C)cn3)CC2=O)C1 1094721931 NLZJYVQSTSZQRY-NSHDSACASA-N 303.366 -0.379 30 20 DBED N#CCN1CC(N2C[C@H](NC(=O)C3CCC(O)CC3)CC2=O)C1 1094732172 ZDFCMRFHFMKITR-MBHSVXNSSA-N 320.393 -0.538 30 20 DBED C[C@H](CC(N)=O)C(=O)N1CCC[C@@H](N=c2cc[nH]c(C#N)n2)C1 1095319998 BLRXBMLIIYGLOY-GHMZBOCLSA-N 316.365 -0.315 30 20 DBED CN(CCCNC(=O)[C@@]1(C)CCNC1=O)c1cnc(C#N)cn1 1095736338 RKNQXXMBSRJJDF-OAHLLOKOSA-N 316.365 -0.183 30 20 DBED CCN(CCCNC(=O)[C@@H]1CNC(=O)N1)c1cnc(C#N)cn1 1095959836 CXXWSIMFQYUBEL-NSHDSACASA-N 317.353 -0.638 30 20 DBED CNC(=O)NCC(=O)N[C@H]1C[C@H](Nc2ccc(C#N)cn2)C1 1097110160 ZEKSVIBPSRYMFU-XYPYZODXSA-N 302.338 -0.059 30 20 DBED C[C@@H](CNC(=O)C[C@@H](C)NC(N)=O)Nc1nccnc1C#N 1098076798 YFHNDHGQCYYKSR-BDAKNGLRSA-N 305.342 -0.288 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)CC(C)(C)C)[C@@H](O)C1 1099671104 BZUIWACMWLJMRX-STQMWFEESA-N 309.410 -0.277 30 20 DBED COCC1(C(=O)N[C@@H]2CCN(CC#N)C[C@H]2O)CCOCC1 1099865695 BWVZMCGSGKMCFY-CHWSQXEVSA-N 311.382 -0.495 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)COc2cnn(C)c2)[C@H](O)C1 1099969883 NUIOBQSBFWVISA-ZIAGYGMSSA-N 308.382 -0.074 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CCc2ncccn2)[C@H](O)C1 1100044081 QYQKBSPNWPVHED-ZIAGYGMSSA-N 302.378 -0.016 30 20 DBED CC#CCN1CC[C@H](NC(=O)CCc2cnccn2)[C@H](O)C1 1100067111 MUXRHXDYIHHQIL-LSDHHAIUSA-N 302.378 -0.016 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)c2nonc2C)[C@@H](O)C1 1100136651 QDPRXDHBMWXMQW-NEPJUHHUSA-N 310.354 -0.254 30 20 DBED CNC(=O)NCC(=O)NC[C@@H]1CCN(c2ccc(C#N)nn2)C1 1101066246 PZYZMRBMCMYCFE-JTQLQIEISA-N 317.353 -0.780 30 20 DBED CN(C)C(=O)CC(=O)NCCN(c1ccc(C#N)nn1)C1CC1 1101457248 HUWFMALDNLBFFG-UHFFFAOYSA-N 316.365 -0.088 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@@H]1CN([C@@H](C)C(N)=O)C[C@H]1C 1102891356 RZXJYDUUQOJJBZ-FRRDWIJNSA-N 322.409 -0.926 30 20 DBED CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H]1CN=c1cc[nH]c(C#N)n1 1103787635 FZYBGYWNJVRJSJ-CMPLNLGQSA-N 316.365 -0.302 30 20 DBED C[C@@H](CC(=O)NC[C@H](C)CNc1nccnc1C#N)NC(N)=O 1104099362 MAUVCTBZTBJYMC-UWVGGRQHSA-N 319.369 -0.041 30 20 DBED N#CCNCc1cn(C2CN(C(=O)c3ccc(O)nn3)C2)nn1 1105146395 CYWBOLHLNTUTRS-UHFFFAOYSA-N 314.309 -0.916 30 20 DBED CC(C)C#CC(=O)N1CC(n2cc(CN[C@H](C)C(N)=O)nn2)C1 1105233309 STDZZRZNNCTXEL-LLVKDONJSA-N 318.381 -0.716 30 20 DBED CN1C[C@@H](C(=O)N(C)CCN(C)c2ccc(C#N)nn2)CC1=O 1105584877 PUIFZTLKBXJHJQ-NSHDSACASA-N 316.365 -0.279 30 20 DBED C=CCN[C@@H]1C[C@]2(C[C@H]1O)CN(C(=O)CNC(N)=O)[C@@H]2C(C)C 1105593789 GCYCCYPWOAKJMD-NCZKRNLISA-N 324.425 -0.193 30 20 DBED Cc1[nH]ccc1C(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1 1105785690 ZGLRHMZEIIPUOJ-JTQLQIEISA-N 300.322 -0.391 30 20 DBED CO[C@@H](C(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1)C(C)C 1106093107 UVUJHEGZQPWCIN-ZWNOBZJWSA-N 307.354 -0.670 30 20 DBED C=CCN1CC(n2cc(CNC(=O)[C@H](C)NC(C)=O)nn2)C1 1107119946 PMOWCBSTGGNJTF-JTQLQIEISA-N 306.370 -0.538 30 20 DBED C[C@H](CC(=O)NC/C=C\CNc1nccnc1C#N)NC(N)=O 1107350750 JDWWWMILXQJSAS-MXQLGCADSA-N 317.353 -0.121 30 20 DBED C[C@H](CNc1cncc(C#N)n1)NC(=O)c1cn(C)c(=O)n1C 1107798124 AZBXANDNSSMLFL-SECBINFHSA-N 315.337 -0.384 30 20 DBED C[C@H](CN=c1cc[nH]cc1C#N)NC(=O)C[C@@H]1CCNC1=O 1107979058 YHSQAQVPNFPRFH-MNOVXSKESA-N 301.350 -0.182 30 20 DBED CC#CCN1CCO[C@@](C)(CNC(=O)[C@H]2CCCC(=O)N2)C1 1108012939 ILVSHLZBLXINAM-CJNGLKHVSA-N 307.394 -0.115 30 20 DBED COCC#CCN1CCO[C@](C)(CNC(=O)c2nc[nH]n2)C1 1108286687 AAKBUBUZCXFEQB-CQSZACIVSA-N 307.354 -0.725 30 20 DBED C=CCN1CCO[C@](C)(CNC(=O)Cn2nc(C)n(C)c2=O)C1 1108373347 UGIDJJYYQGYVCQ-OAHLLOKOSA-N 323.397 -0.717 30 20 DBED CCS(=O)(=O)CC(=O)N[C@@H](C)CN=c1cc[nH]c(C#N)n1 1108411309 ZEEGJOYRSLKZGG-VIFPVBQESA-N 311.367 -0.879 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)C[C@@H]1CCN(C)C1=O 1108585079 NCQAUQFAPZLYCN-QWRGUYRKSA-N 316.365 -0.445 30 20 DBED N#CCNC(=O)CN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cn[nH]c1)C2 1108625301 ABHLJVXVMJLILW-UHTWSYAYSA-N 316.365 -0.368 30 20 DBED CN(CC(=O)N1C[C@H]2C[C@@H](NCC#N)C[C@H]1C2)S(C)(=O)=O 1108700416 ZYMUYVJJFNEKMC-QJPTWQEYSA-N 314.411 -0.630 30 20 DBED C[C@H](CN(C)c1ccc(C#N)nn1)NC(=O)[C@@H]1CCNC(=O)C1 1108895467 WFPSEQGPNNORGK-GHMZBOCLSA-N 316.365 -0.185 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)COCCC 1109033186 PTWVVPRGGMLJCR-RDBSUJKOSA-N 307.394 -0.116 30 20 DBED C[C@@H](CC(=O)N[C@H](C)CN(C)c1ccc(C#N)nn1)NC(N)=O 1109096586 DOUMLXZYRRMEBQ-VHSXEESVSA-N 319.369 -0.264 30 20 DBED C[C@@H](CC(=O)N[C@H](C)CN(C)c1cnc(C#N)cn1)NC(N)=O 1109096956 IHHONIBLXDZZAT-VHSXEESVSA-N 319.369 -0.264 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(Nc2ccc3nnnn3n2)CC1 1110125722 QVQWPYUFRULMBN-CYBMUJFWSA-N 317.353 -0.093 30 20 DBED C#CCNC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCOC 1110232435 LZXKIGXRQYJEOP-SYQHCUMBSA-N 307.394 -0.118 30 20 DBED C#CCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2[C@@H](C)C(=O)NC 1110551155 RGVIHSNRFLIHET-DGAVXFQQSA-N 307.394 -0.118 30 20 DBED COCC(=O)N[C@@]1(CO)CCCN(c2nc(C)cc(C#N)n2)C1 1111336112 IKTBBNCYFUKUGQ-HNNXBMFYSA-N 319.365 -0.249 30 20 DBED C#CCCCC(=O)N(CCO)CCN=c1cc[nH]c(C#N)n1 1111467176 ZMHRLCYHZZYJCW-UHFFFAOYSA-N 301.350 -0.194 30 20 DBED COCCC(=O)NC[C@@H]1COCCN1c1cnc(C#N)cn1 1111649064 ATLUMAUIHMWVFT-GFCCVEGCSA-N 305.338 -0.294 30 20 DBED CCCOCC(=O)N1CCO[C@H](CN=c2cc[nH]c(C#N)n2)C1 1111945452 LXOWEDSHRNIIBH-GFCCVEGCSA-N 319.365 -0.164 30 20 DBED CN(CCCN(C)c1ccc(C#N)cn1)C(=O)Cn1ncnn1 1112131534 IOHHBLYLZVZLQO-UHFFFAOYSA-N 314.353 -0.075 30 20 DBED CCOCCC(=O)NC[C@@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1112701649 JJXWJQLYGBIGPE-NEPJUHHUSA-N 319.365 -0.312 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCN(CCN2CCNC2=O)CC1 1112846742 XAVKGFKHPQNIBU-ZDUSSCGKSA-N 308.382 -0.806 30 20 DBED C[C@H](CNC(=O)[C@H]1CCCC(=O)N1)N(C)c1ccnc(C#N)n1 1113749027 JPRZEPTXLJBORY-GHMZBOCLSA-N 316.365 -0.042 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)CCCOCC)[C@H]2C1 1113924903 KCLCATVCLQXBSG-STQMWFEESA-N 307.394 -0.401 30 20 DBED CNC(=O)CCCC(=O)N[C@H]1[C@@H]2CN(CC#CCOC)C[C@@H]21 1114171866 JUMUREHKSGHEBQ-VIKVFOODSA-N 307.394 -0.401 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)[C@H](OC)C3CC3)[C@@H]2C1 1114208766 FHNXFXYYCUYUMV-LALPHHSUSA-N 307.394 -0.240 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)CCN(C)CC)[C@@H]2C1 1115074471 MMJCZJLDUOHSKF-CHWSQXEVSA-N 306.410 -0.876 30 20 DBED C=CCCOCC(=O)N[C@H]1[C@@H]2CN([C@H](C)c3nnnn3C)C[C@@H]21 1115330774 SWMNIGFARKLLNP-NMKXLXIOSA-N 320.397 -0.090 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)N2CCO[C@H](C(F)F)C2)C1 1119007546 KIVBLTXERMOQBI-ZANVPECISA-N 317.292 -0.644 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCC[C@H](CF)C1 1119493413 JRONWLWVCCHELS-LLVKDONJSA-N 320.386 -0.089 30 20 DBED C=CCOCCNC(=O)C(=O)N1CCC2(CC1)CNC(=O)O2 1119708123 NXQKGGHFCMNVGP-UHFFFAOYSA-N 311.338 -0.594 30 20 DBED N#Cc1cncc(N[C@H](CO)CNC(=O)C2CCOCC2)n1 1120986401 LVYYQPKAWMDDPS-LBPRGKRZSA-N 305.338 -0.336 30 20 DBED C#C[C@@H](C)N(C)c1nnc(CN2CCC(C(N)=O)CC2)n1C 1121267673 FYQAKNSFJONPOA-LLVKDONJSA-N 304.398 -0.030 30 20 DBED Cc1ccnc(C(=O)NC[C@H](CO)Nc2nccnc2C#N)n1 1121505956 OWFAGCXYMHSYBK-SNVBAGLBSA-N 313.321 -0.351 30 20 DBED CCn1cc(C(=O)NC[C@H](CO)Nc2nccnc2C#N)nn1 1121926771 FJNBTCBGUVOILA-SECBINFHSA-N 316.325 -0.838 30 20 DBED C=C(C)CCC(=O)NC[C@H](CO)N=c1cc[nH]c(C(=O)OC)n1 1122158367 NSRXGWOITLVLGU-LLVKDONJSA-N 322.365 -0.070 30 20 DBED Cn1cncc1C(=O)NC[C@H](CO)Nc1ccc(C#N)nc1 1122218757 MBWKZCYAOHJWJT-GFCCVEGCSA-N 300.322 -0.110 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)c1cncs1 1124096096 DLFMYOVQFACLPH-SECBINFHSA-N 318.362 -0.228 30 20 DBED CN(C[C@H](O)CNc1cncc(C#N)n1)C(=O)Cc1cnoc1 1124688202 DNCQCZBRXKKXCG-GFCCVEGCSA-N 316.321 -0.190 30 20 DBED CN(C[C@@H](O)CN(C)c1cncc(C#N)n1)C(=O)[C@@H]1CCCO1 1124938624 BDHCMAHDWQLRPR-STQMWFEESA-N 319.365 -0.217 30 20 DBED C=C[C@](C)(O)CC(=O)NCCNC[C@@H]1CCCS(=O)(=O)C1 1126366756 ZJPNBNINOCIOLP-JSGCOSHPSA-N 318.439 -0.156 30 20 DBED C#CCCN1CCn2ncc(CNC(=O)CNC(C)=O)c2C1 1128160299 QLRJQKCEDHZLTO-UHFFFAOYSA-N 303.366 -0.526 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CCCN1CCC 1128787310 ZFBQHJZVPSESDC-ZIAGYGMSSA-N 308.426 -0.296 30 20 DBED CCC(=O)N[C@@H](C)C(=O)N1C[C@H](n2ccnn2)[C@H](NCC#N)C1 1129866975 LRXNRQPJNUCBBU-TUAOUCFPSA-N 319.369 -0.942 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1COCCN1CC 1130614622 BVXNQMDYOPDSGP-CHWSQXEVSA-N 312.414 -0.896 30 20 DBED C#CCCN1C[C@H]2C[C@@H]3CN(C(=O)CC(=O)NCC)C[C@@]3(C1)O2 1131220793 SACVIXXJDHOICE-CKEIUWERSA-N 319.405 -0.162 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)Cc1ccc(OC)cn1 1132873072 WRIUPUFBDOWVCF-GFCCVEGCSA-N 318.377 -0.524 30 20 DBED Cc1ncc(C(=O)N[C@@H](C)C[C@H](C)NCC(=O)NCC#N)[nH]1 1133916046 BYFVDMIVIILILV-UWVGGRQHSA-N 306.370 -0.156 30 20 DBED Cc1c[nH]c(C(=O)N[C@@H](C)C[C@@H](C)NCC(=O)NCC#N)n1 1135655835 RXKSHLPCIFVTSR-ZJUUUORDSA-N 306.370 -0.156 30 20 DBED COCC#CCN1CCC2(C1)CN(C(=O)C1CN(C(C)=O)C1)C2 1147416386 MBMCZNQPFHOEID-UHFFFAOYSA-N 319.405 -0.351 30 20 DBED CCN(CC#CCOC)[C@H](C)CNC(=O)Cn1cnnc1O 1152873357 KFUGZDFMXRPRQP-GFCCVEGCSA-N 309.370 -0.540 30 20 DBED C=C(C)CCNCCCNC(=O)Cn1ccc(=O)n(C)c1=O 1159323108 UYFDBFIWXDWESP-UHFFFAOYSA-N 308.382 -0.391 30 20 DBED C#CCNC(=O)CNCCCNC(=O)CCc1cncs1 1166750566 GYAIZFBYXCATGU-UHFFFAOYSA-N 308.407 -0.079 30 20 DBED C#CCCCC(=O)N1CC[C@@H](NCCNS(=O)(=O)CC)C1 1182214573 AKPVRRJREZQWNF-CYBMUJFWSA-N 315.439 -0.080 30 20 DBED CC(C)C#CC(=O)N1CC[C@@H](NCC(=O)NC(=O)NC2CC2)C1 1182422803 BBPXMDARNRFZEF-CYBMUJFWSA-N 320.393 -0.176 30 20 DBED C=CCOCCN[C@@H]1CCN(C(=O)CCS(=O)(=O)NC)C1 1182529706 GQOGENAGKXUEGD-GFCCVEGCSA-N 319.427 -0.681 30 20 DBED Cc1[nH]nc(Cl)c1C(=O)N1CC[C@@H](NCC(=O)NCC#N)C1 1183125358 JEWXXIXQZNSMEZ-SECBINFHSA-N 324.772 -0.185 30 20 DBED C=CCCN[C@@H]1CCN(C(=O)CS(=O)(=O)CCOC)C1 1183700875 PUSTWPCNJZHDPT-GFCCVEGCSA-N 304.412 -0.186 30 20 DBED C=CCn1cc(C(=O)N2CC[C@@H](N[C@@H](C)C(=O)NC)C2)nn1 1186177995 SFUCGMOTARLLJZ-WDEREUQCSA-N 306.370 -0.597 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)c2ccc(=O)n(C)n2)C1 1187629005 OWIVEYLHBSYLMO-GFCCVEGCSA-N 304.350 -0.766 30 20 DBED C[C@@H](C(=O)N(C)C)N1C[C@@H](O)[C@H](NC(=O)C#CC(C)(C)C)C1 1192813855 QMICJEWVYKTJCI-YNEHKIRRSA-N 309.410 -0.326 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2nocc2C)C[C@H]1O 1192892436 XUUBOOOWUJPTME-IACUBPJLSA-N 307.350 -0.317 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)C[C@H](C)N2CCCCC2=O)C1 1192943983 PQISANQRFCGMNF-BFHYXJOUSA-N 307.394 -0.428 30 20 DBED C[C@H](C#N)C(=O)N1CCCN(CC(=O)NC[C@@H]2CCOC2)CC1 1195321813 PUGNJQNAYHJSMZ-KGLIPLIRSA-N 322.409 -0.167 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(CC(=O)NCC=C)C[C@H]1O 1199284739 QYIGOQHQNYTCKA-CHWSQXEVSA-N 311.382 -0.957 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(Cc2cn(CC)nn2)C[C@H]1O 1199308300 RTUDFPRSMLZARJ-ZIAGYGMSSA-N 323.397 -0.448 30 20 DBED Cn1nnc(CNC2CCN(C(=O)CSCC#N)CC2)n1 1199388468 XGYAZYQOSPESCO-UHFFFAOYSA-N 309.399 -0.453 30 20 DBED N#CCNC(=O)CNC[C@H]1CN(C(=O)C(F)F)CCCO1 1199625571 WZVXCOUSRUPKCX-VIFPVBQESA-N 304.297 -0.902 30 20 DBED C[C@H](C#N)C(=O)N1CCCO[C@@H](CNCC(=O)N2CCCC2)C1 1200116133 UJNLUFRZSSLIKB-KGLIPLIRSA-N 322.409 -0.024 30 20 DBED C#CCNC[C@H]1CN(C(=O)C[C@@H]2CCC(=O)N2C)CCCO1 1201130003 URBSRHIJUDGYBV-KBPBESRZSA-N 307.394 -0.162 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)[C@@H]2CCOC[C@H]2C)CC1 1202379393 GXYJFNYEYKILMO-UKRRQHHQSA-N 321.421 -0.011 30 20 DBED C[C@H](CS(C)(=O)=O)C(=O)N1CCO[C@@H]2CN(CC#N)C[C@@H]21 1219055023 SFYGFJCKARSLBK-GRYCIOLGSA-N 315.395 -0.898 30 20 DBED Cc1cc(CN2C[C@H](O)[C@H](NC(=O)CSCC#N)C2)nn1C 1219219726 KBKZEHWINCPXCA-OLZOCXBDSA-N 323.422 -0.353 30 20 DBED C#CCC1(C(=O)N[C@@H]2CN(Cc3cn(C)nn3)C[C@@H]2O)CCC1 1219785714 XUWFGPASAFGWTK-KGLIPLIRSA-N 317.393 -0.330 30 20 DBED C=C(C)C(C)(C)C(=O)N[C@@H]1CN(Cc2nc(O)n[nH]2)C[C@@H]1O 1220134039 WRDDZGYBSPTGFD-ZJUUUORDSA-N 309.370 -0.226 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)CCCn2nc(C)nc2C)C1 1220730960 YEOGWKOCWOBPSP-CABCVRRESA-N 319.409 -0.140 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1n[nH]cc1F 1228418144 BNQLAXFNMWDYKJ-GHMZBOCLSA-N 322.344 -0.181 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C[C@H]1CCN1CCN1CCNC1=O 1234265674 KOOGVNXEANWCTP-ZIAGYGMSSA-N 322.409 -0.417 30 20 DBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCC(=O)N1CCCC1 1324112565 NRLIUERTERMRRY-JSGCOSHPSA-N 323.393 -0.178 30 20 DBED C#C[C@@H](NC(=O)C(=O)NCc1nnc(C)n1C)[C@H]1CCCO1 1325998565 DPOBSFHGKOQLRN-GHMZBOCLSA-N 305.338 -0.963 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)N2CCO[C@H](C(F)F)C2)CCO1 1329751816 QSUORIQDCKFIIP-IUCAKERBSA-N 303.265 -0.770 30 20 DBED C=C[C@@H]1CCCCN1C(=O)C(=O)N[C@H]1CCS(=O)(=O)C1 1334808298 OCZGGPLVKPALFH-WDEREUQCSA-N 300.380 -0.143 30 20 DBED C=CCN(C)C(=O)C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 1341033091 WPCYEILXDOPQRY-JTQLQIEISA-N 303.384 -0.829 30 20 DBED C#CCN(C)c1nnc(CNS(=O)(=O)CC)n1CCOC 1343265868 OCWQVFNURNKZDU-UHFFFAOYSA-N 315.399 -0.567 30 20 DBED C#CCCN(CCOC)c1nnc(C2=NNC(=O)C2)n1CC 1352648954 RUHUAWJCJKXYQK-UHFFFAOYSA-N 304.354 -0.002 30 20 DBED CSc1nc(O)c(C(=O)N2C[C@@H](O)[C@@H](CO)C2)cc1C#N 1363249366 QAOZRDOAOIHMPB-PSASIEDQSA-N 309.347 -0.194 30 20 DBED CC(=O)NC[C@H]1CN(S(=O)(=O)CC2(CC#N)CC2)CCO1 1364808208 UAOLUQOEMNKQIC-LBPRGKRZSA-N 315.395 -0.153 30 20 DBED Cn1c(CNc2[nH]c(=O)n(C)c(=O)c2C#N)nnc1C1CC1 1365223735 ICOXOVNDGOIJGN-UHFFFAOYSA-N 301.310 -0.437 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@@H]1CCCN(C(=O)CCNC(N)=O)C1 1373214187 JYQQRINYOJLFDC-WDEREUQCSA-N 309.370 -0.346 30 20 DBED C=C(Cl)CNC[C@@H](O)CNC(=O)c1cc(=O)c(OC)c[nH]1 1379225227 DEGHXCQDCMOZQZ-SECBINFHSA-N 315.757 -0.184 30 20 DBED COCCN(CCNC(=O)[C@H](C)C#N)C(=O)C1=COCCO1 1384410245 LNZDVDICFXWMNW-LLVKDONJSA-N 311.338 -0.375 30 20 DBED CCN(CCNC(=O)[C@@H](C)C#N)CC(=O)NC1CCOCC1 1403826296 OONVFPGBSOQUCK-LBPRGKRZSA-N 310.398 -0.121 30 20 DBED C[C@@H](CC(N)=O)C(=O)N1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 1407781640 VXEQKUMZIMZUJE-ONGXEEELSA-N 317.349 -0.271 30 20 DBED N#Cc1cnn2c(O)cc(CN3CC[C@H](CO)[C@@H](O)C3)nc12 1412975953 FQDKGNLQZXVJTM-SKDRFNHKSA-N 303.322 -0.518 30 20 DBED CCN(CCNC(=O)[C@H]1COC(=O)N1)C(=O)c1cc(C#N)c[nH]1 1415662585 ACKWYECAMPIVCP-LLVKDONJSA-N 319.321 -0.427 30 20 DBED COCC(=O)N[C@H](C)[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCO1 1424645966 AKVMMCXZTSJQOV-MFKMUULPSA-N 320.349 -0.122 30 20 DBED CC(C)[C@H](CNC(=O)C1(NC(N)=O)CC1)NC(=O)[C@@H](C)C#N 1431217728 BEMUHXVNJBWDSV-UWVGGRQHSA-N 309.370 -0.396 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@H](NCC(=O)NC[C@H]2CCCO2)C1 1436885569 JCMMTQSCNZIVIG-ZDEQEGDKSA-N 308.382 -0.322 30 20 DBED COC(=O)[C@]1(C)CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)C1 1445856717 AVLOYNVQKBGGEF-CQSZACIVSA-N 320.305 -0.768 30 20 DBED CCCN(CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)C(=O)[C@H](C)C#N 1449777187 SHOJWTSNAIEBQA-GRYCIOLGSA-N 324.381 -0.466 30 20 DBED CC(C)S(=O)(=O)CC(=O)NC[C@@H](C)CNC(=O)[C@H](C)C#N 1451579456 BWUIQWMUQQHBBU-GHMZBOCLSA-N 317.411 -0.162 30 20 DBED CCc1cc(C(=O)NC[C@@H](O)CNC(=O)[C@H](C)C#N)cc(O)n1 1452379191 QMUYEHDEGVQHGU-SKDRFNHKSA-N 320.349 -0.284 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](C)CN(C)C(=O)c1ccc(=O)n(C)n1 1487912422 JDNKYPLRRVFXSQ-VHSXEESVSA-N 305.338 -0.483 30 20 DBED C[C@H](C#N)C(=O)N1CCCO[C@@H](CNC(=O)Cc2cnc[nH]2)C1 1512351820 RDVUIVLUMWRHDW-YPMHNXCESA-N 319.365 -0.154 30 20 DBED CCOc1cnc(C(=O)NC[C@@H](O)CNC(=O)[C@H](C)C#N)cn1 1533291529 RCHNFAUOWLGNBF-ZJUUUORDSA-N 321.337 -0.758 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)NC[C@H]1CCO[C@H]1C(=O)O 1571087883 NSNOXRRAJKDKJN-OPRDCNLKSA-N 305.356 -0.456 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](C)N(C)c1nccnc1-c1nn[nH]n1 1573577077 LVKQATSMYSEHBT-DTWKUNHWSA-N 315.341 -0.243 30 20 DBED C[C@H]1CS(=O)(=O)CCN1c1cnc(C#N)c(-c2nn[nH]n2)n1 1576378371 QEHVRDMIIIIYNJ-ZETCQYMHSA-N 320.338 -0.848 30 20 DBED CN(C)S(=O)(=O)C1(CNC(=O)[C@@H](N)CCCC#N)CC1 1578420278 DQHQLSOVKHLNBE-JTQLQIEISA-N 302.400 -0.452 30 20 DBED N#C[C@@H]1CCCN(C(=O)NCCn2cnc(-c3nn[nH]n3)n2)C1 1581856834 GMVDJYVHCAEVRH-VIFPVBQESA-N 316.329 -0.597 30 20 DBED C#C[C@H]1CCCCN1C(=O)C(=O)N1C[C@H](C)O[C@H](C(=O)O)C1 1588381859 CAECYHBBPCLBEZ-SRVKXCTJSA-N 308.334 -0.299 30 20 DBED C#CCN(CC(=O)O)C(=O)CNS(=O)(=O)c1cccs1 1588407198 IGYBOULCZVTDBR-UHFFFAOYSA-N 316.360 -0.427 30 20 DBED C#CC[C@@H](NC(=O)c1coc(S(=O)(=O)N(C)C)c1)C(=O)O 1588422390 XDBMGLJKGHWBNB-SECBINFHSA-N 314.319 -0.264 30 20 DBED C=C[C@H](CO)NCC(=O)NCc1cccc(-c2nn[nH]n2)c1 1588727540 CSXACKHBRAVRMK-GFCCVEGCSA-N 302.338 -0.381 30 20 DBED C=CCOC[C@H](NC(=O)[C@@H]1CC[C@H](C(=O)O)O1)C(=O)OC 1588856525 LNCZJMOSVPEJQM-LPEHRKFASA-N 301.295 -0.521 30 20 DBED CC#CCCNC(=O)N1CCN([C@]2(C(=O)O)CCOC2)CC1 1588927147 OQLYCFOLLPMGGU-OAHLLOKOSA-N 309.366 -0.029 30 20 DBED N#CC[C@@]1(O)CCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)o2)C1 1592674254 BXTBKHNSTJCALV-LLVKDONJSA-N 324.322 -0.501 30 20 DBED Cn1ncc(C#N)c1N1CCN([C@@]2(C(=O)O)CCOC2)CC1 1601020001 XPPFIIRCKGLWEY-AWEZNQCLSA-N 305.338 -0.343 30 20 DBED N#Cc1ccc([C@H](O)C(=O)N2CCN(CC(=O)O)CC2)cc1 1608202116 LZSIFDPMMLDCAO-AWEZNQCLSA-N 303.318 -0.180 30 20 DBED N#CCN1CC[C@@H](CNC(=O)CN2CCCCS2(=O)=O)C1 1753131625 ZFRQIOZBFPFZBL-LBPRGKRZSA-N 314.411 -0.626 30 20 DBED C=CCNC(=O)CN(CCNC(=O)[C@@H]1CCC(=O)N1C)C1CC1 1753158274 OLUSPASCENARSI-ZDUSSCGKSA-N 322.409 -0.510 30 20 DBED CN(CC(=O)NCC#N)C[C@H]1CCN(C(=O)C[C@@H]2CCCO2)C1 1753356443 MLTYUFJGACXRJE-KGLIPLIRSA-N 322.409 -0.024 30 20 DBED CCc1nc[nH]c1C(=O)NC[C@H](C)CNCC(=O)NCC#N 1753640519 IZWOPCBNEGYFKN-SNVBAGLBSA-N 306.370 -0.433 30 20 DBED C#CCOCCC(=O)N(C)[C@@H](C)CN[C@H]1CCC(=O)NC1=O 1753689432 MMKOZMCSMJFFGR-RYUDHWBXSA-N 309.366 -0.732 30 20 DBED C=CCNC(=O)CNC[C@H](C)N(C)C(=O)Cc1cncn1C 1753721008 KPTFLPCWOZPVTO-LBPRGKRZSA-N 307.398 -0.299 30 20 DBED C#CCNC(=O)CNC[C@@H](O)CNC(=O)c1cccc(OC)c1 1753935909 YCLZBTSGLHWVMP-CYBMUJFWSA-N 319.361 -0.875 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@@H]1C 1754816912 IJXVMFILIJKYBP-QWHCGFSZSA-N 309.410 -0.168 30 20 DBED Cc1cc(C)c(C(=O)N(CCO)CCNCC(=O)NCC#N)[nH]1 1754885822 VVQVVLFQFPMHCN-UHFFFAOYSA-N 321.381 -0.705 30 20 DBED C=CCCCN[C@H](C)[C@@H](C)NC(=O)Cn1ccc(=O)n(C)c1=O 1755237064 NAXGNBALAPPEQL-CHWSQXEVSA-N 322.409 -0.004 30 20 DBED C=CCCC(=O)NC[C@H](CO)NC[C@@H]1CCS(=O)(=O)C1 1755622194 CTNFVRAZIJZMAW-NWDGAFQWSA-N 304.412 -0.546 30 20 DBED CCO[C@@H](C)C(=O)N(C)C[C@H](O)CN(C)CC#CCOC 1755797391 AYPVOGIONQZXSS-UONOGXRCSA-N 300.399 -0.188 30 20 DBED C=CCOCC(=O)NCC1[C@H]2CN(C(=O)c3[nH]nnc3C)C[C@H]12 1756194405 FFYYFWBMOQVBMH-VXGBXAGGSA-N 319.365 -0.250 30 20 DBED C[C@@H](CN(C)C(=O)C#CC1CC1)NC(=O)c1c[nH]c(=O)cn1 1756450466 GYBWSPIKFLIXIW-JTQLQIEISA-N 302.334 -0.240 30 20 DBED CN(C[C@@H](O)CNC(=O)C#CC1CC1)C(=O)c1csnn1 1756671010 RLHLICHVUNDFQF-JTQLQIEISA-N 308.363 -0.499 30 20 DBED C[C@H](CC(=O)NCC1=CCN(C(=O)[C@H](C)C#N)CC1)NC(N)=O 1756769637 IRWNEUSXOJFKQM-GHMZBOCLSA-N 321.381 -0.132 30 20 DBED CO[C@@H]1CN(C(=O)C#CC(C)C)C[C@H]1NC(=O)Cc1ncc[nH]1 1757144167 LFRLLHKGSNTAHR-CHWSQXEVSA-N 318.377 -0.046 30 20 DBED N#CCSCC(=O)N1CC[C@H](NC(=O)c2ccon2)[C@H](O)C1 1757562913 RUHHZGSAEYJKRY-GXSJLCMTSA-N 324.362 -0.377 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1cn[nH]c1 1794067723 HUQDXOIFKBZNDE-YWVIFJGQSA-N 316.361 -0.435 30 20 DBED C=CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](N)CCC(N)=O 1795979526 IUQQBBDMGNCYCD-RNJOBUHISA-N 322.409 -0.207 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=C(C)OCC1)C2 1800451731 GAFOIPFMWZBJLE-JJLQDPRZSA-N 304.346 -0.097 30 20 DBED C=CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CNC(=O)C1)C2 1801001436 OXKSXCVDINJTBN-OHTBPHCPSA-N 321.377 -0.712 30 20 DBED CN(C)C(=O)C(=O)N1CC2(CCCN2C(=O)C(C)(C)C#N)C1 1841136878 GJGYHABEHKIZQU-UHFFFAOYSA-N 306.366 -0.172 30 20 DBED CC[C@H](C)[C@@H](O)C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1841638023 KVKHAXMEOXDRPZ-SMDDNHRTSA-N 322.361 -0.315 30 20 DBED CC(C)[C@@H](S)C(=O)N1CC2(CCCN2C(=O)[C@@H](N)CN)C1 1843348053 DKOMVOLMDOKWDI-WDEREUQCSA-N 314.455 -0.570 30 20 DBED C/N=C(/NCCNS(C)(=O)=O)N1CC[C@]2(CCOC2)C1 157990345 TVLFHSDRMDEKDL-LBPRGKRZSA-N 304.416 -0.777 30 20 DBED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCN(C)CC2)CC1 174455618 BANJXQUTPSZMOY-HNNXBMFYSA-N 307.442 -0.074 30 20 DBED C[C@H](CC#N)NC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C 194650348 QQUFCOJXHOVANV-MRVPVSSYSA-N 301.306 -0.336 30 20 DBED C/N=C(/NC[C@H]1CN2CCN1CC2)NC1CCN(C2CC2)CC1 261913850 HVKONJDFIJOJRY-INIZCTEOSA-N 320.485 -0.222 30 20 DBED CNS(=O)(=O)c1cccc(C/N=C(\N)NCCOC)c1 264066468 BOKQYUOGMWEWSL-UHFFFAOYSA-N 300.384 -0.355 30 20 DBED C#CC[C@H](NS(=O)(=O)c1ccc(C(=O)OC)o1)C(=O)O 274978875 JLAMAQHWAYSJNH-ZETCQYMHSA-N 301.276 -0.179 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCO[C@@](C)(CC)C2)C1=O 275986539 MDCXXOCKORKAJS-HNNXBMFYSA-N 323.349 -0.009 30 20 DBED C#CCNS(=O)(=O)c1ccc(C(=O)N(CC)CC(N)=O)cc1 276531141 DCCPIBHMFOKDRI-UHFFFAOYSA-N 323.374 -0.455 30 20 DBED CCOC(=O)CO/N=C(/C(=O)NCC(C)(C)O)c1cc[nH]n1 276569082 KGPXLDZAUKLWSU-GZTJUZNOSA-N 312.326 -0.419 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCc2ccccn2)C1=O 283227843 KJPMLBJMGMSYDU-ZDUSSCGKSA-N 316.361 -0.057 30 20 DBED COc1ccc(S(=O)(=O)NCC(=O)NCC#N)cc1OC 285348671 LDFIKDUCEWNZRD-UHFFFAOYSA-N 313.335 -0.378 30 20 DBED N#C[C@@H]1CN(C(=O)CNS(=O)(=O)c2cccnc2)CCO1 290257021 NTHLCWYXSQGYCQ-SNVBAGLBSA-N 310.335 -0.889 30 20 DBED N#Cc1ccc(N2CCN3C(=O)C(=O)NC[C@H]3C2)cc1[N+](=O)[O-] 290783308 NHWPLNFWCPOKBP-NSHDSACASA-N 315.289 -0.387 30 20 DBED COC(=O)C1=NO[C@H](Cn2cc(C(=O)OC)cc(C#N)c2=O)C1 298996621 AYNMVXHDWIOQIZ-JTQLQIEISA-N 319.273 -0.176 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCO[C@@H]3CCC[C@H]32)C1=O 299709282 RYGGBKALSIARJU-GHMZBOCLSA-N 321.333 -0.257 30 20 DBED COC[C@H](C)/N=C(/O)NC(=O)CN(C)[C@@H]1CCS(=O)(=O)C1 330419432 FVXOXTCBSUEZBZ-VHSXEESVSA-N 321.399 -0.830 30 20 DBED CN(CC/N=C(/O)N(C)C)C(=O)CCC(=O)N1CCOCC1 330623869 QFYRFXXKIQOWAK-UHFFFAOYSA-N 314.386 -0.441 30 20 DBED Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N[C@@H](C)C#N 330910577 VMTGPBIJJUZLRW-CBAPKCEASA-N 313.383 -0.268 30 20 DBED CO[C@H]1CN(/C(O)=N/[C@H](C)CN2CCOCC2)C[C@H]1OC 331117273 NXUQDIJFYLQCQQ-UPJWGTAASA-N 301.387 -0.033 30 20 DBED N#Cc1cccnc1N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 336858849 CBBJTEXBOMZMQF-CHWSQXEVSA-N 322.390 -0.767 30 20 DBED C[C@@H](CO)N(CC1CCC1)S(=O)(=O)N1CCO[C@H](C#N)C1 337787513 YGIKIDMQHMSZEE-WCQYABFASA-N 317.411 -0.062 30 20 DBED CNC(=O)[C@@H](CCSC)NS(=O)(=O)N(C)C[C@@H](C)C#N 341666694 PECRBVSEDBXKRL-VHSXEESVSA-N 322.456 -0.220 30 20 DBED COC[C@@H]1CCN1C(=O)C(=O)Nc1nn(C(C)C)cc1C#N 342961975 VOAMSRREMQSOHW-NSHDSACASA-N 305.338 0.521 30 20 DBED N#Cc1cnc(C(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)c(Cl)c1 344111435 XSSRCEGGEUICHD-SECBINFHSA-N 319.708 -0.017 30 20 DBED CCS(=O)(=O)c1ccc(C(=O)NCC(=O)NCC#N)cc1 344146364 DPLXJHLQYLWBLD-UHFFFAOYSA-N 309.347 -0.150 30 20 DBED COC(=O)Cn1cc(S(=O)(=O)N[C@@H](C#N)C(C)C)cn1 345631076 LCQIVEFKQJBRRX-JTQLQIEISA-N 300.340 -0.117 30 20 DBED CN(C)C[C@@H](O)CNC(=O)C(=O)Nc1ccc(C#N)c(F)c1 354352698 KNABPOQATSDULU-NSHDSACASA-N 308.313 -0.325 30 20 DBED CC(=O)NCc1ccc(S(=O)(=O)N2CC(O)(CC#N)C2)cc1 358916938 URLHZXZJTKQBJB-UHFFFAOYSA-N 323.374 -0.028 30 20 DBED CC(C)(C)C(=O)N1CCN(C(=O)Cn2cnc(C#N)n2)CC1 408365536 JOJOCWOOMLIXPX-UHFFFAOYSA-N 304.354 -0.133 30 20 DBED COC(=O)[C@H](CC1CC1)Nc1c(C#N)c(=O)n(C)c(=O)n1C 413492263 JDWBNGSPOQAJTP-JTQLQIEISA-N 306.322 -0.291 30 20 DBED CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)NCCC#N)c1 427890009 IKNIMPYUZDLMCB-UHFFFAOYSA-N 324.362 -0.129 30 20 DBED C#C[C@@H]1COCCN1C(=O)C(=O)N1CCC[C@@H](CCC(=O)O)C1 491639761 YQMXITQMGNVQMC-QWHCGFSZSA-N 322.361 -0.050 30 20 DBED CN(C)S(=O)(=O)CCCS(=O)(=O)NCC1(C#N)CC1 562375468 JVUQKBUFURTKSM-UHFFFAOYSA-N 309.413 -0.509 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N1C[C@H](C)O[C@H](C(=O)OC)C1 593081291 RRUIPYLIHHAMKP-AXFHLTTASA-N 313.354 -0.351 30 20 DBED CN(C)S(=O)(=O)NCCNC(=O)N1CC[C@](F)(C#N)C1 596614200 OOVGYNDBKFLQHX-JTQLQIEISA-N 307.351 -0.970 30 20 DBED N#CCCN(Cc1ccco1)C(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 597024417 JOPULJXFFMQLEP-MGPQQGTHSA-N 306.318 -0.065 30 20 DBED C[C@H](N)[C@H]1CCCN(C(=O)C(=O)N2CCN(CCC#N)CC2)C1 601580749 DHYFQXOZVCJBOI-KBPBESRZSA-N 321.425 -0.370 30 20 DBED C[C@H]1CN[C@H](C)CN1C(=O)C(=O)N1CCN(CCC#N)CC1 601581543 IAWJULHLBVJIAQ-OLZOCXBDSA-N 307.398 -0.747 30 20 DBED C=C[C@](C)(O)C(=O)N1CCC(NC(=O)N2CCOCC2)CC1 633482419 VSZCETVMUVXAEF-HNNXBMFYSA-N 311.382 -0.044 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC(C)(C)CC(=O)O)C1=O 736106689 HTEFZDMCQOWHIV-UHFFFAOYSA-N 311.294 -0.667 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)CCCNC(=O)O)CC1 736106755 KLVZGRTZDFOGRN-UHFFFAOYSA-N 312.370 -0.519 30 20 DBED COCC#CCOC(=O)[C@H](C)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 762839172 QVRBGDIWGYVDGM-QWQWKMKNSA-N 321.329 -0.270 30 20 DBED C#CCCN1CCN(CC(=O)NCC(=O)NC(C)(C)C)CC1 776593316 GUPZKLRGKFQWQA-UHFFFAOYSA-N 308.426 -0.342 30 20 DBED CN1CCN(c2ncc(C=NN3CCCNC3=O)cn2)CC1 777902359 LETOYNKUKCACBZ-UHFFFAOYSA-N 303.370 -0.022 30 20 DBED C#CCOCCNC(=O)N1CCN(S(=O)(=O)CC)C[C@H]1C 805279906 SAJMBBZXSVMWII-GFCCVEGCSA-N 317.411 -0.298 30 20 DBED COCCN(CC#N)C(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1 837234572 ONCIXUMEIMWPBB-GFCCVEGCSA-N 324.362 -0.285 30 20 DBED C[C@](C#N)(NC(=O)COC(=O)[C@H]1CCCS1(=O)=O)C1CC1 848861686 RWNLNZZZFWAXIU-ZWNOBZJWSA-N 314.363 -0.085 30 20 DBED C#C[C@@](C)(CC)NCC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1 852097870 ZARZODIMSCPGFC-GWCFXTLKSA-N 315.395 -0.609 30 20 DBED CS(C)(=O)=NC(=O)[C@@H]1CCCN1CC(=O)NCCC#N 852168312 SUNFIDUBNKTNAY-JTQLQIEISA-N 300.384 -0.265 30 20 DBED CC#CCN1CC[C@H](NC(=O)CN2CC(=O)NC2=O)[C@@H](C)C1 943676415 TZZUHMUGEQFTED-RYUDHWBXSA-N 306.366 -0.612 30 20 DBED C#CCCN1CC[C@H](NC(=O)CN2CCC(=O)NC2=O)C[C@H]1C 947900327 QNSBIWPRZNUFSI-OLZOCXBDSA-N 320.393 -0.079 30 20 DBED Cc1nn[nH]c1C(=O)N1CC[C@@H]1CNC(=O)c1c[nH]c(C#N)c1 949486518 YWMRQFDWBSRORH-LLVKDONJSA-N 313.321 -0.043 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]1CNC(=O)c1cccc(C(N)=O)n1 950650517 GGBNPWIIPIVAFB-UWVGGRQHSA-N 315.333 -0.329 30 20 DBED C[C@@H](C#N)C(=O)N1CC(N(C)C(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 954645824 QKZKUUXBAVVKPP-DMDPSCGWSA-N 308.382 -0.466 30 20 DBED C#Cc1cncc(C(=O)N2CC(N(C)C(=O)c3cnn[nH]3)C2)c1 954725688 BYXGMGDWQIVULB-UHFFFAOYSA-N 310.317 -0.222 30 20 DBED C#CCCN1C[C@@H](O)[C@H](CNC(=O)c2cnn3c2OCCC3)C1 958220377 XIZGIZSCFFOCBP-TZMCWYRMSA-N 318.377 -0.289 30 20 DBED C[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1CNC(=O)c1cc(C#N)c[nH]1 959411789 RAALOHCDXLGUMV-MWLCHTKSSA-N 317.349 -0.414 30 20 DBED COCCn1cc(C(=O)N[C@H]2[C@@H]3CN(CC#N)C[C@@H]32)ccc1=O 960769602 SDXVFNZUQAVKLI-NHAGDIPZSA-N 316.361 -0.322 30 20 DBED N#CCN1C[C@@H]2C(NC(=O)c3ccc(OCC(N)=O)cc3)[C@H]2C1 960918367 BTRBMICLCIBJMZ-STQMWFEESA-N 314.345 -0.266 30 20 DBED CC#CCN1C[C@H]2C(NC(=O)Cn3nc(C)ccc3=O)[C@@H]2C1 962356027 YJMCXRDTFORHGA-CHWSQXEVSA-N 300.362 -0.379 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)Cn1ncnn1 963533800 GWMKTWLJDDVEGO-UTUOFQBUSA-N 317.353 -0.575 30 20 DBED C=CCN1CC[C@H](C)[C@H](NC(=O)Cn2nc(C)n(C)c2=O)C1 968597383 WWHPTHWUVVVIPT-WCQYABFASA-N 307.398 -0.097 30 20 DBED C=C(Cl)CN[C@@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 968952325 GCVFGQDHDZMCJZ-BDAKNGLRSA-N 300.746 -0.473 30 20 DBED C#CCCN1CC([C@H](C)NC(=O)c2cn(CCOC)nn2)C1 969657330 KRRFSPFWSYYCNW-LBPRGKRZSA-N 305.382 -0.002 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H]2C[C@@H](NC(=O)c3cnon3)C2)c1 974001066 HEWRHTIZRILDBC-DTORHVGOSA-N 300.278 -0.040 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)Cn3nccn3)C[C@H]21 974970907 RRENXNXAHMTXGZ-QJPTWQEYSA-N 302.338 -0.503 30 20 DBED C[C@H]1CC(=O)N[C@@H](C(=O)N[C@H]2[C@@H]3CN(C(=O)[C@H](C)C#N)C[C@@H]32)C1 976586527 JPFHUUANUHGYEX-KJHGAJISSA-N 318.377 -0.366 30 20 DBED C[C@@H]1[C@@H](NC(=O)[C@@H]2CCN(C)C2=O)CCN1C(=O)C#CC1CC1 989347146 JOVDPDQSBXOJON-XBFCOCLRSA-N 317.389 -0.016 30 20 DBED C[C@@]1(C(=O)N2CC(NC(=O)c3cc(C#N)c[nH]3)C2)CCNC1=O 990707659 DMMOZKVPLWLWSA-OAHLLOKOSA-N 315.333 -0.647 30 20 DBED C=CCCn1cc(C(=O)NC2CN(C(=O)[C@H](C)C#N)C2)nn1 991979211 FZFOXEQQDOBPEX-SNVBAGLBSA-N 302.338 -0.046 30 20 DBED C#CCN1CCC(C(=O)N[C@@H]2CCCN(CC(N)=O)[C@@H]2C)CC1 994495856 HFWTUTBQGRSZQS-UKRRQHHQSA-N 320.437 -0.214 30 20 DBED N#CCNC1CCN(C(=O)CCc2nnc(O)nc2O)CC1 996754009 WISVJCRGYXISPR-UHFFFAOYSA-N 306.326 -0.680 30 20 DBED C#CCNC1CC(N(C)C(=O)Cn2nc3ccccn3c2=O)C1 999210458 RWPOZUDEEZFWCQ-UHFFFAOYSA-N 313.361 -0.292 30 20 DBED Cc1nn[nH]c1C(=O)NCC1CN(C(=O)c2c[nH]c(C#N)c2)C1 1003531753 HRJCLUAOZABNKN-UHFFFAOYSA-N 313.321 -0.185 30 20 DBED N#CCN1CCC[C@@H](NC(=O)[C@H]2CCc3nnnn3CC2)C1 1008593804 XUNCEFVRVNYFRQ-NWDGAFQWSA-N 303.370 -0.270 30 20 DBED C[C@@H]1C[C@H](NC(=O)c2cnnn2C)CN1C(=O)C#CC1CC1 1012582979 VQJCWWIGLPVEGE-PWSUYJOCSA-N 301.350 -0.052 30 20 DBED O=C1CC[C@@H](C(=O)N2CC3(CCN(C(=O)C#CC4CC4)C3)C2)N1 1019237433 GTZWKMBCJKIKCW-ZDUSSCGKSA-N 315.373 -0.261 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H](NCc2nnnn2C)C1 1020250637 KGTUJFTYHZERKH-AVGNSLFASA-N 317.397 -0.956 30 20 DBED C#CCN1CCC[C@H]1CNC(=O)[C@H]1C[C@H](OC)CN1C(C)=O 1028051225 IPPSGGVIDPXYEL-SOUVJXGZSA-N 307.394 -0.164 30 20 DBED C#CCCN1CC[C@@H](CNC(=O)c2cn(C)c(=O)n(C)c2=O)C1 1028840704 KIRJPWCZRZJATI-LBPRGKRZSA-N 318.377 -0.841 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)c3ccnnc3C)C2)C1=O 1030615878 ATCKUTBSCGDHTG-AWEZNQCLSA-N 315.377 -0.014 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)c3cnc(O)n3C)C2)C1=O 1030794992 GTGBQYITCFSQEM-NSHDSACASA-N 319.365 -0.673 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCC1CN([C@H]2CCNC2=O)C1 1031741213 SJDVGOSDXWZMFY-KBPBESRZSA-N 304.394 -0.980 30 20 DBED C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)CCN1C(=O)CCC1=O 1032507393 YJKYUHUBKISGKL-STQMWFEESA-N 303.362 -0.166 30 20 DBED CC#CCN1CC[C@H](N(CC)C(=O)c2nnc(O)nc2O)C1 1033882388 CMZXONZLLBACPJ-JTQLQIEISA-N 305.338 -0.158 30 20 DBED C#CCN[C@H]1CCN(C(=O)c2cn(C)c(=O)nc2O)C[C@@H]1C 1036292509 RWGFGBLIBCTTBY-JQWIXIFHSA-N 304.350 -0.441 30 20 DBED N#CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)c1ccc(-n2cnnn2)cn1 1037522646 JIZIMIHMJMUQRF-ICCXJUOJSA-N 310.321 -0.617 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2[C@H]3C[C@H]2N(Cc2nnnn2C)C3)nc1 1037691516 XWMAECKFGTYTQV-NJZAAPMLSA-N 323.360 -0.411 30 20 DBED CC#CCN1CC[C@@H]1CNC(=O)[C@@H]1CCc2nnc(O)n2C1 1038422044 MWGUGSRUWVTZES-VXGBXAGGSA-N 303.366 -0.240 30 20 DBED CO[C@H](C(=O)NC[C@@]1(O)CCN(C(=O)C#CC2CC2)C1)C1CC1 1039595934 HIXVKVFYCCSRNN-RDJZCZTQSA-N 320.389 -0.096 30 20 DBED O=C(NC[C@@]1(O)CCN(C(=O)C#CC2CC2)C1)c1ncccn1 1040674594 XHIYRXGJPXVCDM-INIZCTEOSA-N 314.345 -0.417 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@]2(CCN(CC(N)=O)C2)C1 1041368295 LKXYMVIKRIGSAM-YOEHRIQHSA-N 318.421 -0.506 30 20 DBED Cn1cnn(CCC(=O)N2CC[C@]3(CCN(CC#N)C3)C2)c1=O 1041509977 TWNZVTKBMDRFEJ-HNNXBMFYSA-N 318.381 -0.580 30 20 DBED O=C(Cc1ccon1)NCC1(O)CN(C(=O)C#CC2CC2)C1 1042209830 OVXQGSCNMFOWQI-UHFFFAOYSA-N 303.318 -0.680 30 20 DBED CCn1nccc1C(=O)NCC1(O)CN(C(=O)[C@H](C)C#N)C1 1042750203 IZVSVOBJAJXGPR-SNVBAGLBSA-N 305.338 -0.634 30 20 DBED CCn1ccnc1C(=O)N1CC(O)(CNC(=O)C#CC(C)C)C1 1042936908 UJXDYFLEBKLGQL-UHFFFAOYSA-N 318.377 -0.135 30 20 DBED CO[C@@H]1CN(c2nc(C)ccc2C#N)C[C@H]1NC(=O)C(N)=O 1042955896 FFXXCOWGUHTYGY-GHMZBOCLSA-N 303.322 -0.933 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)[C@H]2C[C@H]3C=C[C@H]2O3)C1 1043616415 GRHMZYBIONAUMM-FRRDWIJNSA-N 306.362 -0.014 30 20 DBED C#CCCCCC(=O)N1CC(O)(CNC(=O)c2cncn2C)C1 1043749276 FVZNFBKNBWTUBA-UHFFFAOYSA-N 318.377 -0.083 30 20 DBED C=C(C)CN1CC[C@@H](N2CCN(C(=O)[C@H]3COC(=O)N3)CC2)C1 1046025439 ZMWJTAIJNDKOGT-ZIAGYGMSSA-N 322.409 -0.111 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)c2nc3ncc(C)cn3n2)C1 1047421813 RPEIRYTWEHCYQH-RYUDHWBXSA-N 316.365 -0.264 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCN(C(=O)CC)C2)C1 1047588906 VLIHARBJQIEPTK-RDBSUJKOSA-N 307.394 -0.618 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2ccn(C)c2)C1 1048673102 LRGIICHMQYTCHE-KBPBESRZSA-N 321.377 -0.129 30 20 DBED CN1CCCC[C@@H](C(=O)NC[C@H]2COCCN2CC#N)C1=O 1051209758 MQPCKDHSPIVZCQ-STQMWFEESA-N 308.382 -0.415 30 20 DBED CN1CCC[C@H]1C(=O)N1CC[C@H](N2CCN(CC#N)CC2)C1 1051996318 MFLNLYBYMFAWHQ-GJZGRUSLSA-N 305.426 -0.177 30 20 DBED Cn1ncc(C(=O)N2CC[C@@H](N3CCN(CC#N)CC3)C2)c1N 1052017770 UNZLDUURLFUNNU-GFCCVEGCSA-N 317.397 -0.642 30 20 DBED COC(=O)NCC(=O)NC[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1C 1052547671 IIAPAGSTAUMTQI-WCQYABFASA-N 321.377 -0.034 30 20 DBED C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CNC(=O)C(N)=O)C2)nc1 1053089203 HFXKYKWQFCSTEB-ZYHUDNBSSA-N 314.345 -0.628 30 20 DBED Cn1cc(CN2CC3(C2)CN(C(=O)C#CC2CC2)CCO3)nn1 1053250974 UYXBGOPFNFCGJC-UHFFFAOYSA-N 315.377 -0.358 30 20 DBED C#CCN1CC2(C1)CN(C(=O)c1cn3c(n1)COCC3)CCO2 1053309067 XQXQDSNKDUHUPP-UHFFFAOYSA-N 316.361 -0.427 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)[C@@]1(C)CNC(=O)C1)CCO2 1053356350 KUPLCIWNAZTCMG-OAHLLOKOSA-N 305.378 -0.551 30 20 DBED C=CCOCC(=O)N1C[C@@H]2CN(C(=O)c3ncn(C)n3)C[C@@H]2C1 1055248030 BQPYYUQKOUOZSP-TXEJJXNPSA-N 319.365 -0.452 30 20 DBED COC(=O)[C@@H]1C[C@H]1C(=O)N1CCN(c2ccc(C#N)nn2)CC1 1055734526 AZLBTOOQABZVKW-VXGBXAGGSA-N 315.333 -0.194 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@](CO)(NC(=O)c2cnn(C)c2)C1 1055753834 BOULSQLUKSSQFU-IAQYHMDHSA-N 319.365 -0.337 30 20 DBED C#CCCCC(=O)N[C@@]1(CO)CCCN(C(=O)c2cnn[nH]2)C1 1055911825 GWPAEBRFTGRVMO-HNNXBMFYSA-N 319.365 -0.309 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H]1CCN(C(=O)CCn2cnnn2)C1 1056686515 NIFAEGYTRDBRSG-GFCCVEGCSA-N 312.337 -0.535 30 20 DBED CN1C[C@@H](C(=O)N2CC[C@@H](Nc3nccnc3C#N)C2)NC1=O 1056745339 VQHYUAKZWJHHFN-KOLCDFICSA-N 315.337 -0.615 30 20 DBED N#Cc1cccnc1N[C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 1056763985 DVCBHZSXSFECFT-GHMZBOCLSA-N 300.322 -0.353 30 20 DBED CCCC(=O)NCC(=O)N(CCO)CCNC(=O)C#CC1CC1 1057118955 YIALRAMANLIYNA-UHFFFAOYSA-N 323.393 -0.747 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)c1ncoc1C 1057194155 ZYIQHIUXNLDZJC-UHFFFAOYSA-N 311.338 -0.264 30 20 DBED CN(CC(=O)NCCN(CCO)C(=O)C#CC1CC1)C1CCC1 1057537645 IZSOVSLFRMJPKC-UHFFFAOYSA-N 321.421 -0.179 30 20 DBED C=CCO[C@H](C)C(=O)NCCN(CCO)C(=O)c1ccncn1 1058504837 DRJCGNWPYIWFMP-GFCCVEGCSA-N 322.365 -0.382 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)c1cc(C#N)c[nH]1 1058653554 YMRCJDNIAHJILL-SNVBAGLBSA-N 303.322 -0.403 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](CCNC(=O)CCOC)C1 1059501994 HPTYOPIDTMLFQH-ZDUSSCGKSA-N 323.393 -0.483 30 20 DBED COC(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1C[C@@H](N=c2cc[nH]c(C#N)n2)C1 1059576603 OGGVSKHBXDGCSK-ZRUFSTJUSA-N 315.333 -0.362 30 20 DBED CC(=O)N1CC(C(=O)N[C@H]2C[C@@H](Nc3cncc(C#N)n3)C2)C1 1059616320 ZKZHIZWHLXXORD-TXEJJXNPSA-N 314.349 -0.114 30 20 DBED Cn1nnc(C(=O)N2CC[C@@H](CNc3cnc(C#N)cn3)C2)n1 1060962893 FVVRJGMOPUOTFM-VIFPVBQESA-N 313.325 -0.554 30 20 DBED N#Cc1nc(=NC[C@H]2CCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C2)cc[nH]1 1060964306 NPKDTAMFFIOEKO-FJJYHAOUSA-N 313.361 -0.077 30 20 DBED C=CCCC(=O)NC[C@H]1COCCN1C(=O)CN(C)C(C)=O 1061395667 ABRBFCDVTOSVHL-ZDUSSCGKSA-N 311.382 -0.226 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)Cc1cnc[nH]1 1061853690 UNMGTVZLCIAXPX-ZYHUDNBSSA-N 305.338 -0.545 30 20 DBED N#Cc1cnccc1N1[C@H]2CC[C@H]1CN(C(=O)Cn1cnnn1)C2 1061909851 ZNYJFCJCMFQHGU-STQMWFEESA-N 324.348 -0.180 30 20 DBED Cc1cc(C#N)nc(N2[C@H]3CC[C@H]2CN(C(=O)CC(N)=O)C3)n1 1061939102 RBRHSKULIGZQGW-RYUDHWBXSA-N 314.349 -0.288 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(NC(=O)Cn2ncnn2)CCC1 1062866921 UMJWMVFADZYUDK-ZDUSSCGKSA-N 322.369 -0.845 30 20 DBED C=CCCOCC(=O)NCC1(NC(=O)c2nnn(C)n2)CCC1 1063425406 GKTZCABBVWMDNW-UHFFFAOYSA-N 322.369 -0.429 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H]1CCCC[C@H]1NC(=O)C(N)=O 1064189766 TVLKKNOPRLJMKF-GXFFZTMASA-N 301.350 -0.053 30 20 DBED N#Cc1cncc(N2CC[C@@H]3CCN(C(=O)C(N)=O)C[C@H]32)n1 1064698966 KWDLCNBMWNQYGD-GXSJLCMTSA-N 300.322 -0.739 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CN(C(=O)CNC(=O)C2CC2)CCO1 1064903394 CKJUMTAHZIFICE-ZYHUDNBSSA-N 322.365 -0.984 30 20 DBED C[C@]1(NC(=O)[C@H]2CCC(=O)N2)CCN(c2cncc(C#N)n2)C1 1065223311 BANJKNSZZQHOPA-ABAIWWIYSA-N 314.349 -0.288 30 20 DBED C=CCCC1(C(=O)NC[C@H]2CN(C(=O)C(N)=O)CCO2)CC1 1065550622 LNTQZUGXLNDDBQ-NSHDSACASA-N 309.366 -0.438 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CCCN(C(=O)CN2CCOCC2)CC1 1066474821 JTMPFOOZJIHFCU-UONOGXRCSA-N 322.409 -0.024 30 20 DBED C=C[C@@](C)(CC)C(=O)N1CC2(C[C@H](NC(=O)CC(N)=O)CO2)C1 1068785032 XPEZPSVBHGPYJT-NHYWBVRUSA-N 323.393 -0.050 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H]1COC2(C1)CN(C(=O)COC)C2 1068867979 HBIBZROAEGDXIS-NWDGAFQWSA-N 310.350 -0.843 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1COC2(C1)CN(C(=O)CC(C)(C)O)C2 1069004303 VHKCMSGFBJNDSN-GHMZBOCLSA-N 309.366 -0.207 30 20 DBED C#CCN1CCn2ncc(CNC(=O)[C@H]3CCC(=O)N3C)c2C1 1069870508 APHAGNGVXZCBQI-CYBMUJFWSA-N 315.377 -0.431 30 20 DBED CC#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2n[nH]cc2F)C1 1070018936 YLZQYEOYHNDXME-NEPJUHHUSA-N 317.328 -0.181 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)C[C@@H]2CCN(C)C2)C1 1070076573 SVXBJABYDRECPX-ZNMIVQPWSA-N 316.409 -0.405 30 20 DBED CC[C@@H](C(=O)N1C[C@H](n2ccnn2)[C@H](NCC#N)C1)N(C)C 1070277171 HWWBMQCQNMROEX-AGIUHOORSA-N 305.386 -0.517 30 20 DBED C[C@H]1CN(C(=O)c2cn(C)nn2)C[C@@H]1NC(=O)CSCC#N 1072011296 VPMORYASEXYFBM-UWVGGRQHSA-N 322.394 -0.351 30 20 DBED C[C@@H](C#N)C(=O)NC1(C)CCN(C(=O)c2nnn(C)n2)CC1 1073196914 AEFOGYYBAZOJMJ-VIFPVBQESA-N 305.342 -0.519 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCN(C(=O)c2cnn[nH]2)C[C@H]1C 1073958913 ALUFVEHHLGUJGR-VXGBXAGGSA-N 319.365 -0.189 30 20 DBED C#CCCN1CCO[C@@H]2CCN(C(=O)CN3CCOCC3)C[C@H]21 1074216289 WEWSVJIZHCXLHL-HZPDHXFCSA-N 321.421 -0.356 30 20 DBED C#CCCN1CCO[C@@H]2CCN(C(=O)c3cnn(C)n3)C[C@H]21 1074361056 VVPDUJYCFUTUPU-ZIAGYGMSSA-N 303.366 -0.246 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H](C)CCNC(=O)CNC(=O)OC 1075762598 MTGXIKWKRWKBTC-IINYFYTJSA-N 315.370 -0.320 30 20 DBED CCC(=O)NCC(=O)NCC[C@H](C)NC(=O)CSCC#N 1075942856 TXWITNBDYIZADB-JTQLQIEISA-N 314.411 -0.220 30 20 DBED C[C@@H](CCNC(=O)c1cc(C#N)c[nH]1)NC(=O)Cc1nc[nH]n1 1076074186 PYHSVUITKSEYTN-VIFPVBQESA-N 315.337 -0.128 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H](C)CCNC(=O)CNC(=O)NC 1076900906 KPDNZKOICZACLO-IINYFYTJSA-N 314.386 -0.747 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(N(CC)C(=O)C(C)(C)C(N)=O)C1 1079950578 AOXGCHQMVLMVHC-LLVKDONJSA-N 323.393 -0.405 30 20 DBED CC#CCN1C[C@@H](NC(=O)[C@H]2CCN(C)S2(=O)=O)[C@H](C)C1 1080596922 GBRDJXAEKHZQKK-JHJVBQTASA-N 313.423 -0.520 30 20 DBED CC[C@H](C(=O)NC1(CO)CCN(C(=O)[C@@H](C)C#N)CC1)N(C)C 1080902665 HFSVVEGEISULJA-QWHCGFSZSA-N 324.425 -0.044 30 20 DBED COCCC(=O)NC[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1O 1081149636 LASLYWXIMQZPBY-GWCFXTLKSA-N 320.349 -0.528 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2ccccn2)C[C@@H]1O 1081344470 QICISKAZTSJTRZ-OCCSQVGLSA-N 319.361 -0.167 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2ccn(C)c2)C[C@H]1O 1081346368 HOBDMUOPYRJEDM-UONOGXRCSA-N 321.377 -0.223 30 20 DBED Cc1cnoc1C(=O)N1C[C@H](O)[C@H](CNC(=O)C#CC2CC2)C1 1081472548 ZHBMLRBDPABRKJ-OLZOCXBDSA-N 317.345 -0.054 30 20 DBED C=C(Cl)C(C)(C)C(=O)NC[C@@H]1CN(C(=O)C(N)=O)C[C@H]1O 1081513150 AYINDENSENQIGS-RKDXNWHRSA-N 317.773 -0.814 30 20 DBED C#CCCCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cnn[nH]2)C1 1081589198 BRVMAZUTRFHGNU-WCQYABFASA-N 319.365 -0.453 30 20 DBED C#CCN1CCC(C(=O)N2C[C@@H](N[C@H](C)C(N)=O)[C@H](C)C2)CC1 1082941144 SHZMDCJWQVLDQA-UMVBOHGHSA-N 320.437 -0.358 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](NC(=O)c2cccc(C(N)=O)n2)C1 1084102721 JTVSPBDJLNHIRG-KGLIPLIRSA-N 318.377 -0.078 30 20 DBED C=CCN1CC[C@H](N2CC[C@@H]2CN(C)C(=O)c2nc[nH]n2)C1=O 1085881468 GHKOMNKMUAMBHX-NEPJUHHUSA-N 318.381 -0.262 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)Cn1cnnn1)Nc1ccc(C#N)nn1 1089215402 PLUTZLHSFYPVPY-VHSXEESVSA-N 315.341 -0.270 30 20 DBED COCCOCC(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1O 1090403980 FUURYTAIYHSVIA-ZIAGYGMSSA-N 320.349 -0.718 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CN(c2nccc(OC)n2)C[C@H]1O 1090445262 GVCVROBYUSBICO-QJPTWQEYSA-N 322.365 -0.258 30 20 DBED C#CCN1CC[C@H](NC(=O)c2ccoc2CC(N)=O)[C@@H](O)C1 1090523489 RBBCUBVUXBWQIU-RYUDHWBXSA-N 305.334 -0.894 30 20 DBED C[C@H](NC(N)=O)C(=O)N1C[C@@H](Nc2cncc(C#N)n2)[C@H](C)C1 1090968041 SYNFYJDVEXSBSN-WCABBAIRSA-N 317.353 -0.336 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@@H]2CN(c3cnc(C#N)cn3)C[C@@H]12 1093265264 BQYLGCXRWDFIFS-VXGBXAGGSA-N 324.344 -0.961 30 20 DBED N#Cc1cnc(NCCNC(=O)[C@@H]2CCS(=O)(=O)C2)cn1 1093978814 RMYZTCCKOMKMMH-SECBINFHSA-N 309.351 -0.689 30 20 DBED N#Cc1nccnc1NCCNC(=O)[C@H]1CC[C@@H](C(N)=O)C1 1094142425 FMPJJOOBMBABQH-ZJUUUORDSA-N 302.338 -0.222 30 20 DBED C#CCN1CC(n2cc(CNC(=O)c3cnn(C)c3C)nn2)C1 1094275683 MDHZHNLTNPCLDM-UHFFFAOYSA-N 313.365 -0.260 30 20 DBED C#CCN1CC(n2cc(CNC(=O)c3nccc(C)n3)nn2)C1 1094287899 VBGIJROKNFERIW-UHFFFAOYSA-N 311.349 -0.204 30 20 DBED CN1CCO[C@H](C(=O)NCCCN=c2cc[nH]c(C#N)n2)C1 1094349127 HSFOSYPVUANIKB-NSHDSACASA-N 304.354 -0.981 30 20 DBED C[C@H](NC(N)=O)C(=O)NC[C@H](Nc1cncc(C#N)n1)C1CC1 1096655958 KDJMKIDZVWZCGF-KWQFWETISA-N 317.353 -0.288 30 20 DBED N#Cc1cncc(N[C@H](CNC(=O)[C@H]2CNC(=O)N2)C2CC2)n1 1096800622 LHDUKUBCNAVEKB-GHMZBOCLSA-N 315.337 -0.664 30 20 DBED C[C@@H](CC(N)=O)C(=O)N[C@H]1C[C@@H](Nc2cnc(C#N)cn2)C1 1097240801 URDIIIODSHTUOJ-LPEHRKFASA-N 302.338 -0.081 30 20 DBED C[C@H](CNC(=O)[C@]1(C)CCC(=O)N1)Nc1ccc(C#N)nn1 1098238452 YJDBCKPTBPJCBG-OTYXRUKQSA-N 302.338 -0.066 30 20 DBED C[C@H](CCNC(=O)[C@H]1CCN(C)C1=O)N=c1cc[nH]c(C#N)n1 1099638098 IYYXWIMOZVKCMV-GHMZBOCLSA-N 316.365 -0.445 30 20 DBED N#CCNC(=O)CN1CC[C@H](NC(=O)CCC(F)F)[C@H](O)C1 1099919180 XUNMXJXQLXNAPG-VHSXEESVSA-N 318.324 -0.777 30 20 DBED C=CCCCC(=O)N[C@H]1CCN(Cc2nnnn2C)C[C@@H]1O 1099977251 WTZWIEHZRXUEQG-RYUDHWBXSA-N 308.386 -0.382 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CCc2ncccn2)[C@H](O)C1 1100043245 DOWGLGSHLACENO-ZIAGYGMSSA-N 302.378 -0.016 30 20 DBED CC(C)(CS(C)(=O)=O)C(=O)N[C@@H]1CCN(CC#N)C[C@@H]1O 1100136596 PIAFNKWEVARLNQ-MNOVXSKESA-N 317.411 -0.868 30 20 DBED CCN(CCNC(=O)c1cnnn1C)c1cncc(C#N)n1 1100510964 HIKFTAXWJZYCDX-UHFFFAOYSA-N 300.326 -0.267 30 20 DBED CNC(=O)NC(=O)CN1C[C@@H](C)[C@H](CNC(=O)[C@@H](C)C#N)C1 1101823435 AZBWSZWFNKJAOR-HBNTYKKESA-N 309.370 -0.714 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1CNC(=O)c1ccn(C)c1 1101877861 NLTWQIJINZCPCO-TZMCWYRMSA-N 317.393 -0.037 30 20 DBED COCC(=O)N(C)CC(=O)N(C)CCNc1cncc(C#N)n1 1101999741 NWKGSXRWSASIJV-UHFFFAOYSA-N 320.353 -0.677 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1CNC(=O)c1cncn1C 1102123567 GZTIEWFAUVUAFQ-VXGBXAGGSA-N 318.381 -0.642 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1CNC(=O)CCCS(N)(=O)=O 1102296969 CIJVVYQAXPMQOR-GHMZBOCLSA-N 302.400 -0.737 30 20 DBED C=CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)C2(C(N)=O)CC2)C1 1102307696 NWSQDOQFPGVNOG-VXGBXAGGSA-N 322.409 -0.762 30 20 DBED Cc1cc(C#N)nc(N2CC[C@H](N(C)C(=O)CNC(N)=O)C2)n1 1102667923 AAUQTULVKKZOOW-NSHDSACASA-N 317.353 -0.638 30 20 DBED CC(=O)N[C@@H](C)C(=O)N(C)[C@@H]1CCN(c2cnc(C#N)cn2)C1 1102668251 HDRKNHGUMZUIBO-GXFFZTMASA-N 316.365 -0.090 30 20 DBED CC(=O)N(C)CC(=O)NC[C@@H](C)CNc1cncc(C#N)n1 1103876399 LPUFBYVZXMFHFS-JTQLQIEISA-N 304.354 -0.009 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)[C@H]1COCCO1 1104479250 INYKEKUZWVHQGV-WDEREUQCSA-N 305.338 -0.556 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)[C@H]1CN(C)C(=O)N1 1104766328 HRGXQYRNIARWOK-VHSXEESVSA-N 317.353 -0.947 30 20 DBED C#CCCNCc1cn(C2CN(C(=O)[C@H](COC)OC)C2)nn1 1105323699 GJGUBOUHQZNPLP-AWEZNQCLSA-N 321.381 -0.564 30 20 DBED Cc1cc(C(=O)NC[C@H](O)CNc2ccc(C#N)nn2)on1 1105747150 XBSNDIWBTRVRCS-SNVBAGLBSA-N 302.294 -0.153 30 20 DBED C[C@H](C(=O)NC[C@@H](O)CNc1ccc(C#N)nn1)n1cncn1 1105829317 QGBVSZHZJIOERZ-KOLCDFICSA-N 316.325 -0.910 30 20 DBED CO[C@@H](C(=O)NC[C@H](O)CNc1cncc(C#N)n1)C1CC1 1105834397 YHQFNYJIBXYKLJ-DGCLKSJQSA-N 305.338 -0.338 30 20 DBED C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1CNCc1nc(O)n[nH]1 1105845926 AFNUXYKCPQZRLB-NXEZZACHSA-N 324.410 -0.049 30 20 DBED CCn1cc(C(=O)NC[C@@H](O)CN=c2cc[nH]cc2C#N)nn1 1105953998 NAOITGYLCUAJDW-NSHDSACASA-N 315.337 -0.811 30 20 DBED C[C@@H]1CN(C(=O)[C@H](C)N2C(=O)CCC2=O)C[C@H]1CNCC#N 1106207310 VZAASFUIXFIUDS-GRYCIOLGSA-N 306.366 -0.268 30 20 DBED CNC(=O)NCC(=O)N[C@H](C)CCNc1nccnc1C#N 1106615846 KRNKTIUJKYDUIN-SECBINFHSA-N 305.342 -0.416 30 20 DBED C[C@H](C(=O)NC/C=C\CN=c1cc[nH]c(C#N)n1)S(C)(=O)=O 1107576877 QZYVMGJRWADXNA-UMBAGQNISA-N 323.378 -0.712 30 20 DBED C=CCOCC(=O)NC[C@]1(C)CN(Cc2nnnn2C)CCO1 1107810497 CIBCEOPTJZNPPB-CQSZACIVSA-N 324.385 -0.880 30 20 DBED C[C@@H](CNc1cncc(C#N)n1)NC(=O)c1ccc(=O)n(C)n1 1108378028 SKUGMHKTJCEQAW-VIFPVBQESA-N 313.321 -0.328 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)CC3(COC)CC3)CC2=O)C1 1108545501 XCTROYPLTNSNQY-CYBMUJFWSA-N 319.405 -0.162 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)C(=O)NCC3CC3)CC2=O)C1 1108582583 AJLAUVUQPWBVER-LBPRGKRZSA-N 320.393 -0.900 30 20 DBED C[C@H](CN(C)c1cnc(C#N)cn1)NC(=O)c1cnnn1C 1108921396 JYBAIGXPEPMNLZ-SECBINFHSA-N 300.326 -0.269 30 20 DBED Cc1ccc(C#N)c(NC2(CNC(=O)CNC(N)=O)CC2)n1 1110043474 PXVNODLIYCQRIX-UHFFFAOYSA-N 302.338 -0.009 30 20 DBED C[C@@]1(C(=O)NCC2(N=c3cc[nH]cc3C#N)CC2)CNC(=O)C1 1110288012 VSIBRGJVEPFABG-HNNXBMFYSA-N 313.361 -0.038 30 20 DBED CNC(=O)CC(=O)N[C@]1(C)CCN(c2cnc(C#N)cn2)C1 1110745381 IXFUUBKWNQCAFN-CQSZACIVSA-N 302.338 -0.431 30 20 DBED CC(C)OCC(=O)N(C)[C@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1111184364 CKJRNWVWPCBEEZ-STQMWFEESA-N 319.365 -0.219 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCCO2)C1 1111574518 HQWVMUCPQLELBX-ZQIUZPCESA-N 319.405 -0.115 30 20 DBED C[C@H](C#N)C(=O)N[C@]12CCC[C@H]1CN(CC(=O)NC(N)=O)C2 1111666865 NSYCRLBZPZHZNA-BFVZDQMLSA-N 307.354 -0.688 30 20 DBED CC(=O)NCC(=O)N[C@H]1CCN(c2cnc(C#N)cn2)[C@H](C)C1 1112467570 POCHHLFPGJKKRU-PWSUYJOCSA-N 316.365 -0.042 30 20 DBED COCCC(=O)NC[C@H]1CN(c2cncc(C#N)n2)C[C@H]1O 1112689444 NEIMSBWCPRACKM-CMPLNLGQSA-N 305.338 -0.702 30 20 DBED CN(C)CCC(=O)NC[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1O 1112755618 PVYDMMBZSVTBHH-DGCLKSJQSA-N 318.381 -0.787 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)[C@H]2COCCN2C)CC1 1112770299 JTQKPGXEOYMXTQ-UONOGXRCSA-N 324.425 -0.848 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)[C@@H](C)NC(=O)CC)CC1 1112880054 LSXUYELWQJGNRW-OLZOCXBDSA-N 322.409 -0.817 30 20 DBED CC#CCN1CCN(C(=O)CCCn2c(O)nnc2O)CC1 1113052477 ZGQLFDKLPQVWPM-UHFFFAOYSA-N 307.354 -0.363 30 20 DBED N#CCNC(=O)CN1C[C@H]2C(NC(=O)Cc3cccs3)[C@@H]2C1 1113777158 GFYRBTYMGHFXKI-VXGBXAGGSA-N 318.402 -0.023 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)c3cc(C)n(C)n3)[C@@H]2C1 1113948206 NZTQHYXQTFZKSQ-VXGBXAGGSA-N 317.393 -0.309 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)C3=COCCC3)[C@@H]2C1 1114001573 FGBMYEQSWHQSHT-IACUBPJLSA-N 317.389 -0.135 30 20 DBED C=C(C)CCC(=O)N[C@H]1[C@@H]2CN([C@@H](C)C(=O)NC(N)=O)C[C@@H]21 1114352871 ITNWXESTWOTRIY-MEWQQHAOSA-N 308.382 -0.028 30 20 DBED C=CC(C)(C)C(=O)N[C@H]1[C@@H]2CN(CC(=O)NC(=O)NC)C[C@@H]21 1114683979 YKFVOUMYTUOUAQ-IAZYJMLFSA-N 308.382 -0.299 30 20 DBED C=CCN1C[C@@H]2C(NC(=O)CS(=O)(=O)N(CC)CC)[C@H]2C1 1114904661 YAKISDNNAHDYOR-RYUDHWBXSA-N 315.439 -0.110 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)C3(C)CCOCC3)[C@H]2C1 1114978743 ZSUWRACQDLWJRZ-NHAGDIPZSA-N 319.405 -0.401 30 20 DBED C=CCCOCC(=O)NC1[C@@H]2CN(CCn3cncn3)C[C@@H]12 1115330741 SHFCHVHOJUAPQN-CHWSQXEVSA-N 305.382 -0.083 30 20 DBED N#C[C@]1(F)CCN(C(=O)C(=O)NCc2cccc(C(N)=O)c2)C1 1117037908 NOQATTZDFPATEG-OAHLLOKOSA-N 318.308 -0.134 30 20 DBED C=C(C)COCCNC(=O)C(=O)N(C[C@@H](C)O)[C@@H](C)CO 1117557490 CYCHIPWBSGYNOT-NWDGAFQWSA-N 302.371 -0.715 30 20 DBED Cc1cc(C(=O)NC[C@H](CO)N=c2cc[nH]c(C#N)n2)n[nH]1 1121120711 UDOSBHXHHBXCEC-SECBINFHSA-N 301.310 -0.996 30 20 DBED N#Cc1cccnc1N[C@H](CO)CNC(=O)CCCC(N)=O 1121711548 NYIICIGWZFEAPI-NSHDSACASA-N 305.338 -0.502 30 20 DBED CN(C)C1(C(=O)NC[C@H](CO)Nc2nccnc2C#N)CCC1 1122190486 QMMOKOVEQAPOJA-LLVKDONJSA-N 318.381 -0.278 30 20 DBED Cc1ccc(C#N)c(N[C@@H](CO)CNC(=O)[C@@H](C)CC(N)=O)n1 1122358263 YJSLYJJJXKMXKN-JOYOIKCWSA-N 319.365 -0.338 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)[C@@]2(F)CCOC2)cn1 1122411111 NYYNEIMZGMEGCA-TZMCWYRMSA-N 308.313 -0.029 30 20 DBED CN(C[C@H](O)CNc1cncc(C#N)n1)C(=O)c1ccon1 1124092310 ZFHAIKQZOHSKSL-SNVBAGLBSA-N 302.294 -0.119 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]cc1C#N)C(=O)c1cccnn1 1124459756 DHOVEROTJVJDBP-LBPRGKRZSA-N 312.333 -0.290 30 20 DBED CCN(C)CCC(=O)N(C)C[C@@H](O)CN=c1cc[nH]c(C#N)n1 1124493296 QGOMRCILDQTZAI-LBPRGKRZSA-N 320.397 -0.657 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C[C@H](O)CNc1nccnc1C#N 1124520421 SLVUXHYTELQPDH-NWDGAFQWSA-N 317.349 -0.382 30 20 DBED C#CCNC(=O)CC(=O)NCCNCc1nc(C2CCC2)no1 1125998128 KUXSSCUQVVZIIF-UHFFFAOYSA-N 319.365 -0.318 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CCCO[C@H]1C=C 1127609015 MDKUBKVHENTMMK-MCIONIFRSA-N 307.394 -0.189 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)C[C@H]1CCN(C)C1=O 1130041285 HNYOQTJFOKSJIS-VXGBXAGGSA-N 310.398 -0.749 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)C1CCC(C(N)=O)CC1 1130684593 UQZLUHHGJJCPPE-PNESKVBLSA-N 324.425 -0.325 30 20 DBED CC#CCN1C[C@H]2C[C@H]3CN(C(=O)CNC(C)=O)C[C@@]3(C1)O2 1131173712 CBQUEQYPUPJSBM-SQWLQELKSA-N 305.378 -0.553 30 20 DBED CC#CCCCC(=O)N1C[C@@H]2C[C@@H]3CN(CC(N)=O)C[C@]2(C1)O3 1131258774 DMQHLCXLWUASSI-JJRVBVJISA-N 319.405 -0.033 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1ccc2ccncc2n1 1131432787 LLEGKOOKLXJPJF-UHFFFAOYSA-N 311.345 -0.301 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)c1c[nH]nc1C 1132138438 DFAVKSBJXHCBAK-UHFFFAOYSA-N 306.370 -0.200 30 20 DBED C[C@@H]1CCN(C(=O)c2cn[nH]c2)C[C@@H]1CNCC(=O)NCC#N 1132658515 GZQSXUZCRWVHMH-YPMHNXCESA-N 318.381 -0.263 30 20 DBED C=CCOCCNC[C@@H]1CN(C(=O)Cn2ncnn2)CC[C@H]1C 1132825044 WZEYJJYZPZCNKD-ZIAGYGMSSA-N 322.413 -0.050 30 20 DBED CNS(=O)(=O)CC(=O)N1CC[C@@H](C)[C@H](CNCC#N)C1 1133333024 BQZKRDHLYFIXSP-GHMZBOCLSA-N 302.400 -0.867 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)[C@@H](COC)OC 1133512711 GYLIJCUXIALYHF-GFCCVEGCSA-N 314.386 -0.884 30 20 DBED C#CCOCCC(=O)N[C@@H](C)C[C@@H](C)NCc1nc(O)n[nH]1 1134351307 FROIWVMKBJONCU-MNOVXSKESA-N 309.370 -0.077 30 20 DBED C=CCOCCNCCNC(=O)c1cnn2c(=O)cc[nH]c12 1134941817 OXOVCIIIZUPRBF-UHFFFAOYSA-N 305.338 -0.455 30 20 DBED C[C@@H](C[C@H](C)NC(=O)c1cn(C)c(O)n1)NCC(=O)NCC#N 1135387813 RDPGFDGJCZVTPU-UWVGGRQHSA-N 322.369 -0.748 30 20 DBED C=CCNC(=O)CN1CCC2(C1)CN(C(=O)[C@H]1CCOC1)C2 1147133527 ZJEYPNWZNRPXNF-ZDUSSCGKSA-N 307.394 -0.141 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)c1oncc1C)C2 1148537945 ZNXCTTBZOQMGHC-UHFFFAOYSA-N 316.361 -0.120 30 20 DBED C#Cc1ccccc1CC(=O)NCCN[C@@H]1CCC(=O)NC1=O 1149117489 JYWGJLYGKBJNFG-CQSZACIVSA-N 313.357 -0.279 30 20 DBED N#CCNC(=O)CN1CCCO[C@H](CNC(=O)c2ccoc2)C1 1149153877 NFCVRMNSPGSDRS-CYBMUJFWSA-N 320.349 -0.260 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)CN2CCCCC2=O)C1 1149945675 DEZJYXPWKYOBRJ-AWEZNQCLSA-N 307.394 -0.161 30 20 DBED CNS(=O)(=O)CC(=O)NCCNCc1ccc(C#N)s1 1151373815 YJBMBRAZVQVLTF-UHFFFAOYSA-N 316.408 -0.625 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CCC(=O)N(C)C1 1152511315 ZLGXIKCKOPWHNM-VXGBXAGGSA-N 310.398 -0.749 30 20 DBED C=CCN1CCC(CNC(=O)[C@@H]2CNC(=O)N2)(COC)CC1 1162441698 SPTABSWEZRZMHB-LBPRGKRZSA-N 310.398 -0.301 30 20 DBED N#CCNC(=O)CNCC1(CCNC(=O)c2cn[nH]c2)CC1 1163582869 RTVWPHPDWNPRGO-UHFFFAOYSA-N 304.354 -0.461 30 20 DBED N#Cc1ccc(CNCCCNC(=O)[C@H]2CNC(=O)N2)s1 1165467328 MAACZFILTKBKBG-LLVKDONJSA-N 307.379 -0.103 30 20 DBED N#CCNC(=O)CNCC1(CCNC(=O)c2cnco2)CC1 1166460455 XSSHZNWRFYUDKJ-UHFFFAOYSA-N 305.338 -0.196 30 20 DBED COCC#CCNCCCC[C@@H](C)NC(=O)[C@H](C)NC(N)=O 1170372352 FNDFDGAFDBHKBA-OLZOCXBDSA-N 312.414 -0.042 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)[C@@H]1CCCC(=O)N1C 1174936116 WPELYEPOVPNKJK-STQMWFEESA-N 322.409 -0.769 30 20 DBED C=C(C)CN1CCO[C@H]2CCN(C(=O)CCNC(N)=O)C[C@@H]21 1177144216 LRFQUAOBXGYOLK-STQMWFEESA-N 310.398 -0.077 30 20 DBED CNC(=O)NC(=O)CNC[C@]1(C)CN(C(=O)[C@@H](C)C#N)C[C@H]1C 1180914526 STVUPWOYZSYDFC-FIXISWKDSA-N 323.397 -0.324 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC[C@@H](NCCS(C)(=O)=O)C1 1182214964 NCUCJTLLUJOJQR-DGCLKSJQSA-N 304.412 -0.451 30 20 DBED CC(C)C#CC(=O)N1CC[C@@H](NCC(=O)NC[C@H]2CCOC2)C1 1182432021 OLLGHWJFOPSNIH-HUUCEWRRSA-N 321.421 -0.011 30 20 DBED CN1CCCC[C@@H]1C(=O)N1CC[C@@H](NCC(=O)NCC#N)C1 1183648031 MSVHUDUHDMDDSZ-CHWSQXEVSA-N 307.398 -0.699 30 20 DBED C=CCCCN[C@@H]1CCN(C(=O)CNC(=O)CNC(C)=O)C1 1183721453 GWAPVSMPOLZJIL-CYBMUJFWSA-N 310.398 -0.605 30 20 DBED COCC#CCNC[C@H]1CCN(C(=O)Cn2cnnn2)C[C@H]1C 1183849770 KNCQPFDHLMXODM-ZIAGYGMSSA-N 320.397 -0.603 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](N(C)CCC[C@@H](C)O)C1 1189759692 BRIOWBBPOSKYGT-ZIAGYGMSSA-N 309.410 -0.180 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)Cc2cccs2)C1 1190668064 GEZLNKSTZIYOJW-CHWSQXEVSA-N 321.402 -0.799 30 20 DBED C/C(=C\C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1O)C1CC1 1191410189 VSMPKDJVNHBLAW-SFGZWBMOSA-N 306.366 -0.856 30 20 DBED CCCCn1nnnc1CN1C[C@@H](O)[C@H](NC(=O)[C@H](C)C#N)C1 1191882656 VSIQIAXZFWOVIT-IJLUTSLNSA-N 321.385 -0.706 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2c(C)coc2C)C1 1192591112 PCEDDQUEPPBQGB-CHWSQXEVSA-N 319.361 -0.579 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2nc(C)oc2C)C[C@H]1O 1192891134 IDLRGUSAQDECIK-NILFDRSVSA-N 321.377 -0.009 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)[C@@H](C)CCOC)C1 1194134113 GPPHFKOTUKEIIS-KBPBESRZSA-N 309.410 -0.059 30 20 DBED CC(C)=C(C)CC(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1O 1195380398 JIVVCLJFRITXDM-CHWSQXEVSA-N 308.382 -0.466 30 20 DBED C[C@H](C#N)C(=O)N1CCCO[C@H](CNCCN2CCNC2=O)C1 1200114218 BLGDYSVKLDMRDC-CHWSQXEVSA-N 323.397 -0.622 30 20 DBED C#CCNC[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)CCCO1 1201410546 HPQOUIDUXJGWOU-MCIONIFRSA-N 307.394 -0.449 30 20 DBED CC#CCNC[C@H]1CN(C(=O)CCN2CCOCC2)CCCO1 1201639140 HDUXULQBLRNEPP-INIZCTEOSA-N 323.437 -0.061 30 20 DBED COCC(=O)N[C@H](C(=O)N1CCC(NCC#N)CC1)C(C)C 1202819309 HLIDJNNVEXGLOZ-AWEZNQCLSA-N 310.398 -0.122 30 20 DBED C#CCNC(=O)[C@H](C)NC1CCN(C(=O)c2cnon2)CC1 1203022386 LVRKRAKEPIQPEN-JTQLQIEISA-N 305.338 -0.598 30 20 DBED CC#CCN[C@@H]1C[C@@H](NC(=O)Cn2ncn(C)c2=O)C12CCC2 1203096297 YOSIPSHATVEMPE-CHWSQXEVSA-N 317.393 -0.378 30 20 DBED Cc1nccn1CC(=O)N1CCC(NCC(=O)NCC#N)CC1 1203708653 BRRBNLDGYBWTQS-UHFFFAOYSA-N 318.381 -0.588 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)C1=CCOCC1 1206897783 ONEKRVTWEXYBFY-DGCLKSJQSA-N 306.366 -0.591 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)CNC(=O)C2CC2)C1 1207489007 ITBVCMPPBBHOQH-ZDUSSCGKSA-N 322.409 -0.605 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@H](NCc2ccon2)C1 1207869609 IJYIGMXUNXNLIP-ZDUSSCGKSA-N 304.350 -0.105 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)CN2CCC[C@@H]2C)C1 1209630666 AUWOQZLKXAQJCA-LSDHHAIUSA-N 320.437 -0.199 30 20 DBED CC#CCN1C[C@@H](NC(=O)CN(C)S(=O)(=O)CC)[C@H](C)C1 1209912674 ROABXPKTFKQOSI-CHWSQXEVSA-N 315.439 -0.272 30 20 DBED CO[C@@H]1CN(CC(=O)NCC(C)C)C[C@H]1NC(=O)C#CC1CC1 1212251267 URUQXJLSQVPZPD-HUUCEWRRSA-N 321.421 -0.013 30 20 DBED COCC#CCN1C[C@@H](NC(=O)CN2CC[C@@H](C)C2)[C@H](OC)C1 1213440229 KBHUVKKXARGVQP-BZUAXINKSA-N 323.437 -0.207 30 20 DBED C=CCCOCC(=O)N1CCO[C@@H]2CN([C@@H]3CCNC3=O)C[C@@H]21 1219060476 KOYAUNZEEHNUNV-HZSPNIEDSA-N 323.393 -0.621 30 20 DBED C[C@H](c1cnccn1)N1C[C@H](O)[C@H](NC(=O)CSCC#N)C1 1219216532 OQOOFTYWJNKVIH-RTXFEEFZSA-N 321.406 -0.044 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)c2ocnc2C)C1 1219418074 NSDUWVNEYZIBKX-UTUOFQBUSA-N 322.365 -0.551 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2ncc(C)cn2)C[C@@H]1O 1219609197 GJOPAOLKJNBISU-KGLIPLIRSA-N 318.377 -0.514 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)CCn2ccccc2=O)C1 1219748272 PJGMCTZYQFNXOL-KGLIPLIRSA-N 303.362 -0.577 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)c2cc(C)co2)C1 1220178531 NHUCSYNQDDUPCN-XQQFMLRXSA-N 319.361 -0.499 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC(NC(=O)[C@@H](C)OCC#C)CC1 1227308502 XESRCOCRRQQXHC-UONOGXRCSA-N 319.405 -0.257 30 20 DBED C=CCNC(=O)NC(=O)CN(C)CCCNC(=O)c1ccon1 1234513336 WYETZNNTPHFPJG-UHFFFAOYSA-N 323.353 -0.262 30 20 DBED C#CCNC(=O)[C@H](C)N(C)CCCNC(=O)c1ccnn1C 1235307001 JJHUOHDHOQQBGV-LBPRGKRZSA-N 305.382 -0.390 30 20 DBED C[C@H]1C(=O)N(C)CCN1C(=O)C(=O)N1CCC[C@](C)(C#N)C1 1261323302 BZHZTKXASNNDRP-XHDPSFHLSA-N 306.366 -0.172 30 20 DBED C#CCCCCNC(=O)C(=O)N1CCO[C@@H](CC(=O)OC)C1 1322967996 AMWNFMXHROYTFE-LBPRGKRZSA-N 310.350 -0.303 30 20 DBED N#CCN1CCC(NC(=O)C(=O)NCCCn2cccn2)CC1 1325515093 AHHRDDNVRGBPAX-UHFFFAOYSA-N 318.381 -0.506 30 20 DBED C#C[C@H](NC(=O)C(=O)Nc1ncn(CC(=O)OCC)n1)C(C)C 1325949872 YYZGXMXXYREHKH-JTQLQIEISA-N 321.337 -0.446 30 20 DBED C#CCSCCNC(=O)C(=O)N1CCC(CO)(OC)CC1 1326794158 IRIMZGWOWNTWGM-UHFFFAOYSA-N 314.407 -0.531 30 20 DBED C=CCCCCCN(C)C(=O)C(=O)NCCS(=O)(=O)NC 1328783195 YZTWSZUHRYZJLL-UHFFFAOYSA-N 319.427 -0.143 30 20 DBED CCn1nnc(C)c1C=NN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C=C[C@H]2O1 1329671948 IQNJECVJEXOUSD-DDHJBXDOSA-N 301.306 -0.121 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@H](C)CCOC 1329794400 ZJQOIAVFNOPINI-SNVBAGLBSA-N 306.384 -0.755 30 20 DBED N#CCCCS(=O)(=O)N1CCC(C(=O)NCCO)CC1 1335583575 FEGWIBCJSHQHIK-UHFFFAOYSA-N 303.384 -0.560 30 20 DBED C=CCOCc1nnc(N2CCO[C@H](C(=O)NC)C2)n1CC 1339594039 XLJNGLKGCVJPHV-NSHDSACASA-N 309.370 -0.048 30 20 DBED C#CCCCNC(=O)C(=O)N(C)[C@@H](C)CS(=O)(=O)CC 1342391968 DGYOLVMTEXUGMJ-NSHDSACASA-N 302.396 -0.202 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)N[C@@H]2COc3ccccc3C2)CCO1 1345203091 GMMWTTBXBRTAOY-STQMWFEESA-N 315.329 -0.143 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCC2(CC1)C[C@@H]2C(=O)OC 1346542430 GAMWZZQEGKJXBM-GFCCVEGCSA-N 322.361 -0.446 30 20 DBED C#CCOCCNC(=O)C(=O)NC[C@@H](C)N1CCC[C@H](C)C1 1346544525 UWSAKKHHBZKGLA-UONOGXRCSA-N 309.410 -0.011 30 20 DBED CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CC[C@](O)(CC#N)C1 1349215234 RPSXUFUSVFRBBH-CZUORRHYSA-N 322.409 -0.146 30 20 DBED C=CCN1CCC(NC(=O)C(=O)N2C[C@H]3COC[C@H]3C2)CC1 1352477430 UZSAUJSFQICMIM-BETUJISGSA-N 307.394 -0.142 30 20 DBED COC[C@H](NC(=O)c1cc(C#N)c(SC)nc1O)C(N)=O 1361359991 VTWQAZXAZCYXPO-QMMMGPOBSA-N 310.335 -0.389 30 20 DBED COCCN(CCC#N)C(=O)c1nc2ncc(CCO)cn2n1 1362045779 HCBWCDJRNITEKU-UHFFFAOYSA-N 318.337 -0.339 30 20 DBED CCn1nncc1CNC(=O)CCn1cc(C#N)c(O)nc1=O 1363487181 ZYQZJBBDJXYPPJ-UHFFFAOYSA-N 317.309 -0.862 30 20 DBED COC(=O)C1(C#N)CCN(C(=O)NCC[S@](C)=O)CC1 1365330738 PGPMQHXXENOKRB-FQEVSTJZSA-N 301.368 -0.147 30 20 DBED Cn1cc(S(=O)(=O)NCc2ccc(C#N)cn2)c(O)nc1=O 1365711633 XGXQMHBDCZZIDO-UHFFFAOYSA-N 321.318 -0.769 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](C1CC1)N(C)C(=O)c1c[nH]c(=O)cn1 1370420866 GFQSIMXIQHOARP-SKDRFNHKSA-N 317.349 -0.104 30 20 DBED CCN1CCO[C@@H](C(=O)N(CC)CCNC(=O)[C@H](C)C#N)C1 1388408427 RIMCPLJZSBYZPJ-CHWSQXEVSA-N 310.398 -0.169 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNCC(=O)N(C)CC(F)(F)F 1392362657 HUGFZWKQZDKBQK-IUCAKERBSA-N 324.303 -0.767 30 20 DBED C[C@H](CNC(=O)Cn1cnnn1)N(C)C(=O)c1ccc(C#N)[nH]1 1395035808 IBLIOBJHLPQNAR-SECBINFHSA-N 316.325 -0.850 30 20 DBED CCN1CCOC[C@@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@H](C)C#N)C1 1396532428 PITYPPSUECKIJW-YIYPIFLZSA-N 322.409 -0.122 30 20 DBED Cc1nc(CC(=O)NCCN(C(=O)[C@@H](C)C#N)C2CC2)n[nH]1 1398339569 YZFWFGNEQNFSEJ-VIFPVBQESA-N 304.354 -0.078 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@@H](CNC(=O)CCN2CCOCC2)C1 1406570163 BTJPUGWQCACHJB-MELADBBJSA-N 322.409 -0.121 30 20 DBED CCC(=O)NCC(=O)NC[C@@H]1CCN1C(=O)c1cc(C#N)c[nH]1 1410523595 BGGKDFZVEKBVOE-NSHDSACASA-N 317.349 -0.257 30 20 DBED N#Cc1cnn2c(O)cc(CN3CCC(NC(N)=O)CC3)nc12 1412947900 JXDQQSSOIZKYIW-UHFFFAOYSA-N 315.337 -0.061 30 20 DBED Cc1cnc2nc(C(=O)N(C)CCNC(=O)[C@H](C)C#N)nn2c1 1415598600 NVAFQFKPWMSYJM-SNVBAGLBSA-N 315.337 -0.219 30 20 DBED CCc1c(C(=O)NC[C@@H](O)CNC(=O)[C@@H](C)C#N)ccn1C 1416783696 YTFNWCXETCYDFY-QWRGUYRKSA-N 306.366 -0.046 30 20 DBED CC(=O)NCC(=O)N1CC[C@](C)(NC(=O)c2cc(C#N)c[nH]2)C1 1432540903 PHWBGHPXBXPDSM-HNNXBMFYSA-N 317.349 -0.257 30 20 DBED COc1ccc(NC(=O)Cn2cc(C#N)c(O)nc2=O)cn1 1440333562 FTRPESNKEMVDCB-UHFFFAOYSA-N 301.262 -0.137 30 20 DBED C[C@H]1C[C@@H](NC(=O)Cn2cc(C#N)c(O)nc2=O)CCN1C 1445061503 XZTXNICFPFPMLA-ONGXEEELSA-N 305.338 -0.581 30 20 DBED CC[C@H](OC)C(=O)NC[C@H](O)CNC(=O)c1ccc(C#N)[nH]1 1457945436 XIMUXGLSECWKPL-PWSUYJOCSA-N 308.338 -0.482 30 20 DBED CCN(CCC#N)S(=O)(=O)N[C@@H](CO)C[C@@H]1CCCO1 1464549601 ZJDILXFEXXCJBY-NEPJUHHUSA-N 305.400 -0.014 30 20 DBED C[C@H](C#N)C(=O)NC1CN([C@@H]2CCN(c3cnn(C)c3)C2=O)C1 1481549651 FPYGTTBKUCTOBZ-ZWNOBZJWSA-N 316.365 -0.515 30 20 DBED CN(CCN(C)C(=O)c1cc(C#N)c[nH]1)Cc1nnnn1C 1496681479 GAGTXBXKMYRTHQ-UHFFFAOYSA-N 302.342 -0.386 30 20 DBED COCC(=O)N[C@H](C(=O)N1CC(NC(=O)[C@@H](C)C#N)C1)C(C)C 1498384201 SZMFKQZLZGHGOA-GWCFXTLKSA-N 324.381 -0.740 30 20 DBED C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)NC(=O)[C@H](C)C#N 1573584703 CCMJPPZIMFSAKT-HTQZYQBOSA-N 316.325 -0.411 30 20 DBED C[C@]1(C(=O)N2CCN(c3cnccc3C#N)CC2)C[C@H](O)CN1 1576333571 LYFNBXKLLGZQOE-XJKSGUPXSA-N 315.377 -0.285 30 20 DBED COCC#CCNC[C@H](C)N(C)C(=O)[C@H](C)OCc1cnn[nH]1 1576954677 YMLLZDAQZDHEML-STQMWFEESA-N 323.397 -0.204 30 20 DBED N#Cc1cccc(CNC(=O)Cn2cc(-c3nn[nH]n3)nn2)c1 1581874850 KPCVNHZHFDJAPK-UHFFFAOYSA-N 309.293 -0.354 30 20 DBED C=C(C)CS(=O)(=O)NC1(C(=O)O)CCS(=O)(=O)CC1 1588577132 MJARFUOREFXQNL-UHFFFAOYSA-N 311.381 -0.486 30 20 DBED C=CCN(CC(=O)O)S(=O)(=O)c1cc(C(=O)O)n(C)c1 1588823974 IQGVXIBFRQKQLZ-UHFFFAOYSA-N 302.308 -0.015 30 20 DBED C=CCNC(=O)NC(=O)CN1CCN(C(C)(C)C(=O)O)CC1 1588843831 IFPVIUWYSGFXIR-UHFFFAOYSA-N 312.370 -0.521 30 20 DBED COCC#CC(=O)N1[C@H](C)SC[C@@H]1C(=O)NCCC(=O)O 1599137863 DYRDWTCGUAAKPY-VHSXEESVSA-N 314.363 -0.483 30 20 DBED N#CCC1(CNC(=O)C(=O)N2C[C@@H](O)C[C@@H](C(=O)O)C2)CC1 1601062320 NIKRWHINJWCIBI-ZJUUUORDSA-N 309.322 -0.910 30 20 DBED C#C[C@H](CO)NC(=O)[C@H](C#N)Cc1ccc(-c2nn[nH]n2)cc1 1602687591 CTBOEEZWPMXUSU-QWHCGFSZSA-N 310.317 -0.341 30 20 DBED C#CCOCCC(=O)N(C)C1CN(C(=O)[C@H]2C[C@H]2C(=O)O)C1 1602728407 UPBXTRRWRQIHGL-NWDGAFQWSA-N 308.334 -0.584 30 20 DBED C=CCn1c(C[S@@](C)=O)nnc1N1CCO[C@H](C(=O)O)C1 1602935179 AKJUPRCHRAGAAK-JLTPVHFHSA-N 314.367 -0.368 30 20 DBED CNC(=O)[C@@H]1CCCN(C(=O)NCCn2cnc(C#N)n2)C1 1645783308 OWTXMCULIWBSAL-SNVBAGLBSA-N 305.342 -0.683 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)c2ccncc2C)C1 1692397126 PINPVXFMSCMHHR-ZDUSSCGKSA-N 300.362 -0.056 30 20 DBED N#CCN1CCN(CCNC(=O)c2ccc(C(N)=O)o2)CC1 1752367783 TXNJKBIARNYYOY-UHFFFAOYSA-N 305.338 -0.751 30 20 DBED C=CCCN[C@@H](C)CNC(=O)c1nc(C)n(-c2nc[nH]n2)n1 1752893982 IIWMQNIWJXHJPZ-VIFPVBQESA-N 304.358 -0.022 30 20 DBED C=C(C)CCNC[C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 1752941622 MISVBRGKOHJDKU-LBPRGKRZSA-N 320.397 -0.219 30 20 DBED Cc1cc(C)n(CC(=O)N2CC[C@@H](CNCC#N)C2)c(=O)n1 1752957338 XFGNPMPFGRYSHL-ZDUSSCGKSA-N 303.366 -0.178 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@H]1CCCN1Cc1nc(=O)n(C)[nH]1 1753106353 WTTWKLUQLFUCSS-XHDPSFHLSA-N 323.397 -0.484 30 20 DBED C#CCN(C)C[C@@H]1CCN(C(=O)CN2C(=O)CN(C)C2=O)C1 1753360631 WSFOGJGKUWEYPF-LBPRGKRZSA-N 306.366 -0.706 30 20 DBED C#CCCNC[C@H](O)CNC(=O)[C@H](C)N(C)CC(F)(F)F 1753925249 JXSYTHZQESUOPC-QWRGUYRKSA-N 309.332 -0.041 30 20 DBED C#CCNC(=O)[C@H](C)NC/C=C/CNC(=O)c1cnnn1CC 1754132059 KBQFDTLZNZEGJQ-SYTKJHMZSA-N 318.381 -0.689 30 20 DBED C#CCNC(=O)CNC[C@H](C)NC(=O)[C@H]1CCc2c[nH]nc2C1 1754294807 AYJQETJBXXXUIJ-RYUDHWBXSA-N 317.393 -0.642 30 20 DBED C#CCNC(=O)CNC[C@@]1(C)CCN(C(=O)c2cncn2C)C1 1754699438 GQFGTODIQGAYDX-MRXNPFEDSA-N 317.393 -0.389 30 20 DBED C#CCNC(=O)CN[C@H](C)[C@@H]1CCN(C(=O)CN(C)CCC)C1 1754805812 UEELHJMKSGMBDW-HUUCEWRRSA-N 322.453 -0.096 30 20 DBED C=C(Cl)CN1CCC[C@](CO)(NC(=O)[C@H]2CCNC2=O)C1 1754857475 ISOCRNVJDMNFFW-FZMZJTMJSA-N 315.801 -0.182 30 20 DBED N#Cc1ccc(C(=O)NC[C@@H]2COCCN2CCOCCO)[nH]1 1754964447 BBMHFMWZMKVQOS-CYBMUJFWSA-N 322.365 -0.674 30 20 DBED COCC#CCN[C@H]1CN(C(=O)C(C)(C)NC(C)=O)C[C@@H]1C 1755117355 DWGWSBBXACJGRY-JSGCOSHPSA-N 309.410 -0.013 30 20 DBED C#CCCN1CCO[C@]2(CCN(C(=O)[C@H](C)CC(N)=O)C2)C1 1755402583 WPJCILKSZRQGGO-CZUORRHYSA-N 307.394 -0.176 30 20 DBED C=CCN1C[C@H](NC(=O)CC[C@@H]2NC(=O)NC2=O)C(C)(C)C1 1755416272 QGROZEQLJGSHLA-QWRGUYRKSA-N 308.382 -0.013 30 20 DBED C#CCNC(=O)CNC[C@@H](C1CC1)N(C)C(=O)[C@H]1CCOC1 1755555321 JAJXLGZLSLUYPL-KBPBESRZSA-N 307.394 -0.401 30 20 DBED COCC#CCNC[C@@H](C1CC1)N(C)C(=O)C1(C(N)=O)CC1 1755565691 DHRAQWJHDSZTKM-ZDUSSCGKSA-N 307.394 -0.272 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@H](CO)NCc1cc(C)on1 1755630062 AELMBTASXJCCCG-GJZGRUSLSA-N 320.393 -0.353 30 20 DBED COCC#CCN[C@H]1C[C@H](C)N(C(=O)c2c[nH]c(C(N)=O)c2)C1 1755694871 WRZCTZZQODGXJD-AAEUAGOBSA-N 318.377 -0.044 30 20 DBED C=CCOCC(=O)NC1CC(CNC(=O)[C@@H]2CCNC2=O)C1 1755931220 PHVLIFMPPJINRU-HTAVTVPLSA-N 309.366 -0.664 30 20 DBED C#CCCCC(=O)N1CCO[C@@H]([C@@H](C)NC(=O)c2cnn[nH]2)C1 1756216976 MKAKSRDPWRFSSF-DGCLKSJQSA-N 319.365 -0.046 30 20 DBED C[C@@H](CN(C)C(=O)[C@H]1CC(=O)N(C)C1)NC(=O)C#CC1CC1 1756462438 VMYFLCHBWRBBCM-AAEUAGOBSA-N 305.378 -0.159 30 20 DBED C[C@@H]1C[C@@H](NC(=O)CSCC#N)CN1C(=O)Cn1cncn1 1756601353 MEEXMXYWSLOBQC-GHMZBOCLSA-N 322.394 -0.360 30 20 DBED C=C1CC(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C(O)O)[C@H]3C2)C1 1783865738 YSQCFKGSVMAWDU-DRZSPHRISA-N 324.377 -0.757 30 20 DBED CC(C)(O)CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C#CC(=O)O)C2 1795796763 IJVSMSWEYOCOKR-ZSBIGDGJSA-N 322.361 -0.126 30 20 DBED CN(C)CCC(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1842823436 BXKPMTUNEILVKY-UHFFFAOYSA-N 307.350 -0.771 30 20 DBED CCOC(=O)CN(CC(C)C)c1c(C#N)c(=O)n(C)c(=O)n1C 91017796 REZGDMJWCQAZGM-UHFFFAOYSA-N 322.365 -0.019 30 20 DBED CCN(C[C@@H](C)C#N)C(=O)Cn1nnc2c(cnn2C)c1=O 154427715 KGFAQOOQISUYEG-VIFPVBQESA-N 303.326 -0.467 30 20 DBED CC(=O)N[C@@H](C)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 247511570 YKVYZXPMFIVCBG-MNOVXSKESA-N 316.365 -0.090 30 20 DBED C=CCOCCCC(=O)NCCNS(=O)(=O)NC(C)C 277445786 FQPKFPRUKHNAIY-UHFFFAOYSA-N 307.416 -0.082 30 20 DBED CC1(C#N)CN(C(=O)C2=CC=CN3CCS(=O)(=O)N=C23)C1 280405803 HOUJFTUVRQSWLX-UHFFFAOYSA-N 306.347 -0.144 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCCN1CCNC(=O)C1 281686798 BGEFWQJXOABVPS-OCCSQVGLSA-N 310.398 -0.301 30 20 DBED COC(=O)[C@H]1C[C@H](O)CN1CC(=O)N(CCC#N)CCC#N 317426733 ZMDPCBVGMCJJNG-NWDGAFQWSA-N 308.338 -0.749 30 20 DBED CN1C[C@@H](/N=C(/O)CSCC(=O)N2CCOCC2)CC1=O 328724593 YQOWLOYLQDUHRJ-JTQLQIEISA-N 315.395 -0.234 30 20 DBED Cn1cc(CN2CCN(/C(O)=N/C[C@@H]3COCCO3)CC2)cn1 329185303 QCJFDARMPCKJPI-CQSZACIVSA-N 323.397 -0.133 30 20 DBED C[C@H](/N=C(/O)CN1CCN(S(C)(=O)=O)CC1)c1nc[nH]n1 329232743 GGHFOIDASJSKQW-VIFPVBQESA-N 316.387 -0.601 30 20 DBED CN1CCO[C@@H]2CN(C(=O)Nc3ccn(CCC#N)n3)C[C@@H]21 329791987 UWDSOEGKZFSSRR-NWDGAFQWSA-N 304.354 0.343 30 20 DBED COC[C@@H]1CN(/C(O)=N/CCNS(C)(=O)=O)C[C@@H](C)O1 331264853 OXVCTVOPRRXLNI-ZJUUUORDSA-N 309.388 -0.815 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N1CCN(C(=O)C2CC2)C1 333827062 IQOXNGULGMGYJO-JTQLQIEISA-N 300.384 -0.023 30 20 DBED C[C@@](O)(CNS(=O)(=O)N1CCO[C@@H](C#N)C1)C(F)(F)F 336887936 LBOHJBYLTBPFML-JGVFFNPUSA-N 317.289 -0.642 30 20 DBED CCN(C)C[C@@H]1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)C1 337075275 RNMOCMKBZNEPGH-STQMWFEESA-N 316.427 -0.271 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1C[C@H](OC)[C@H](OC)C1 337194527 VJUXNKGTBJJTOP-TXEJJXNPSA-N 321.399 -0.561 30 20 DBED CC1(C)NC(=O)N(CCCn2c(N)nc(C#N)c2C#N)C1=O 346612410 WOAOPNIHLVQBNE-UHFFFAOYSA-N 301.310 -0.071 30 20 DBED COCCC(=O)N1CCN(CC(=O)N[C@@](C)(C#N)C2CC2)CC1 355755581 ANAYUJRMGOTQNO-INIZCTEOSA-N 322.409 -0.024 30 20 DBED COCC[C@H]1COCCN1C(=O)NCCn1cnc(C#N)n1 362114379 SHIVRQZAVNYARY-NSHDSACASA-N 308.342 -0.403 30 20 DBED N#CCNC(=O)CNC(=O)NC[C@@]1(O)CCc2ccccc21 377082293 MTIXQXQFFRPRDF-HNNXBMFYSA-N 302.334 -0.241 30 20 DBED C[C@@H](C#N)CNS(=O)(=O)c1ccc(S(N)(=O)=O)cc1 530586148 AUBGTQZPYMPKLU-QMMMGPOBSA-N 303.365 -0.228 30 20 DBED Cn1c(=O)c2cc(C(=O)NC(C)(C)C#N)cnc2n(C)c1=O 541900101 KPLMOFUGEKUPJU-UHFFFAOYSA-N 301.306 -0.336 30 20 DBED COC(=O)[C@H](NS(=O)(=O)c1ccc(C#N)cc1F)[C@H](C)O 548700212 VYRIAOQVHQAGFG-WRWORJQWSA-N 316.310 -0.102 30 20 DBED CC(=O)c1ccc(OC[C@@H](O)CNCC(=O)NCC#N)cc1 563011941 RMQACHNCWIISRM-ZDUSSCGKSA-N 305.334 -0.142 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N[C@H](CCC(=O)O)C(=O)O 593254693 YFAYSWNTFQWCNX-HTQZYQBOSA-N 307.328 -0.770 30 20 DBED COC[C@]1(C(=O)O)CCN(S(=O)(=O)N(C)C[C@@H](C)C#N)C1 593271727 PGGXLWHTZCZPBT-JQWIXIFHSA-N 319.383 -0.254 30 20 DBED N#Cc1ccc(CCC(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)cc1 594365908 HNFZOHQRRYAGAL-CHWSQXEVSA-N 308.359 -0.235 30 20 DBED COc1cc(NC(=O)NCC(=O)NCCO)c(F)cc1C#N 599817301 UDYHJOXBYQSMBQ-UHFFFAOYSA-N 310.285 -0.064 30 20 DBED Cn1cc(N2C[C@@H](C(=O)N3CC[C@@](O)(CC#N)C3)CC2=O)cn1 600061174 APOKYCVLVJBMAF-NHYWBVRUSA-N 317.349 -0.350 30 20 DBED COC1(CNC(=O)C(=O)N2CCN(CCC#N)CC2)CCC1 602267819 JRWOMOYPCYJXHC-UHFFFAOYSA-N 308.382 -0.270 30 20 DBED CCN(C[C@@H](C)C#N)C(=O)CN1CCN(c2nc[nH]n2)CC1 602871295 QFRXXMJLADVUBZ-LBPRGKRZSA-N 305.386 -0.065 30 20 DBED CN1CCN(C(=O)CN(C)CC(=O)NC2(C#N)CCC2)CC1 602989696 ZLJASMBLRYXIMO-UHFFFAOYSA-N 307.398 -0.745 30 20 DBED CNC(=O)CNC(=S)NN=C1C(=O)N(C)c2ccccc21 731929440 QPCFVDHGHHNYMK-UHFFFAOYSA-N 305.363 -0.423 30 20 DBED C#CCNC(=O)[C@@H](C)OC(=O)c1ccc2c(c1)C(=O)NC2=O 732339983 OHHLECVQBCPNAI-MRVPVSSYSA-N 300.270 -0.135 30 20 DBED NC(=O)CNC(=S)NN=C1CCN(CCCC(=O)O)CC1 739163037 LLEOYWHWCARPRR-UHFFFAOYSA-N 315.399 -0.748 30 20 DBED C[C@H]1CN(c2cccc(S(N)(=O)=O)c2C#N)C[C@H](CO)O1 755032120 QVGQIMZZKVXDJA-VHSXEESVSA-N 311.363 -0.208 30 20 DBED CCCCC(C)=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 771897806 RUEZZBPWRJSEDO-UHFFFAOYSA-N 316.383 -0.072 30 20 DBED C=CCS(=O)(=O)CCNC(=O)[C@@]1(C)CCN(C(C)=O)C1 783538674 DUPNXAWUBDHOHK-ZDUSSCGKSA-N 302.396 -0.038 30 20 DBED C#CCOCCNC(=O)C(=O)Nc1ccc2c(c1)NC(=O)CO2 785161254 XDGMWDDAKMZTOH-UHFFFAOYSA-N 317.301 -0.278 30 20 DBED C=CCN1CC[C@@H](OC(=O)CN(C)CC(=O)NC(C)C)C1=O 803693986 GCQOJILHOPMAJV-GFCCVEGCSA-N 311.382 -0.227 30 20 DBED N#CCCOCCOC(=O)[C@H]1CCCN(S(N)(=O)=O)C1 815266791 SKYLFXIELCCVNW-JTQLQIEISA-N 305.356 -0.625 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)C(C)(C)COC)CC1 831564769 GYYIDWBBYXINOL-UHFFFAOYSA-N 317.411 -0.729 30 20 DBED CC1(C)NC(=O)N(CCCC(=O)N[C@@H]2CNC[C@H]2C#N)C1=O 834499375 HYCRPZUVAQJEME-NXEZZACHSA-N 307.354 -0.675 30 20 DBED C#C[C@@H](NC(=O)C(=O)N1CCC(C)(C(=O)O)CC1)[C@H]1CCCO1 843257482 PXIUETQUBYGRCX-VXGBXAGGSA-N 322.361 -0.003 30 20 DBED CS(=O)(=O)c1cccnc1C(=O)N[C@H]1CCCN(O)C1=O 848131720 JNMJEXFFKNDCMT-QMMMGPOBSA-N 313.335 -0.405 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)N(C)C(C)C)CC1 872514898 CSCLZRNHPYQTMH-UHFFFAOYSA-N 302.400 -0.468 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N[C@@H]1CCC[C@@H]1C(=O)NC 875326655 OORPYXJXXXKXOM-FRRDWIJNSA-N 323.393 -0.438 30 20 DBED N#Cc1ccc(NCCNC(=O)N[C@@H]2CCS(=O)(=O)C2)nc1 915880251 CAGPQNSMKKRIAK-LLVKDONJSA-N 323.378 -0.149 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)CS(=O)(=O)CC(C)C 919333247 CURZCLRAHONDQI-UHFFFAOYSA-N 320.367 -0.388 30 20 DBED O=C(NCC#CCO)NC[C@]1(N2CCOCC2)CCSC1 923784820 MGZJDGVPPPDIOR-CQSZACIVSA-N 313.423 -0.511 30 20 DBED CO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1NC(=O)c1cnc(C)cn1 941088710 NFZDORCEGYIAPW-ZWKOPEQDSA-N 317.349 -0.100 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@@H](NC(=O)Cn2ncn(C)c2=O)C1 941336195 NRMZUYMYDDUAJX-LLVKDONJSA-N 321.381 -0.489 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)COC)C[C@H]1OC 942513184 HFVTUVJDMBGIKI-HZSPNIEDSA-N 323.393 -0.928 30 20 DBED CO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1NC(=O)c1ccnnc1C 943807596 NHFDZUBMSHSFLJ-OASPWFOLSA-N 317.349 -0.100 30 20 DBED C=CC(C)(C)C(=O)N1CCO[C@H](CNC(=O)c2cn(C)nn2)C1 944574529 SGQCKTQKVITNHR-LLVKDONJSA-N 321.381 -0.016 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)CC[C@@H]1NC(=O)Cn1cnnn1 945311849 KTFCPAPOALVENE-YPMHNXCESA-N 316.365 -0.560 30 20 DBED C#Cc1cncc(C(=O)N2CC[C@@H](NC(=O)C(N)=O)[C@H](C)C2)c1 945512130 ITLQTOWWHJYHSH-ZWNOBZJWSA-N 314.345 -0.485 30 20 DBED C[C@H]1CCCN(C(=O)C(N)=O)[C@H]1CNC(=O)c1cc(C#N)c[nH]1 945800716 NHAXQNMDFVGEEK-CABZTGNLSA-N 317.349 -0.271 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1nnn(C)n1 947770830 XECNWJWJPIOADQ-KXUCPTDWSA-N 304.354 -0.249 30 20 DBED C#CCN1CCC(C(=O)NC[C@H]2CCN2C(=O)COC)CC1 950428839 SQCBRMKUBFDMMC-CQSZACIVSA-N 307.394 -0.305 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)C(N)=O)[C@H](C)C2)nc1 955793700 DIDNJSXNJOLKDZ-ZYHUDNBSSA-N 314.345 -0.343 30 20 DBED COc1ccnc(OC)c1C(=O)NC[C@@H]1CN(CC#N)C[C@H]1O 958249097 RQQYBQSDODDANF-GHMZBOCLSA-N 320.349 -0.355 30 20 DBED C=C(C)CN1C[C@@H](O)[C@@H](CNC(=O)c2ccc3nnnn3c2)C1 958254776 SDHJEYHHENOLSI-QWHCGFSZSA-N 316.365 -0.277 30 20 DBED C=C(C)CN1CCN(S(=O)(=O)C2CN(C(C)=O)C2)CC1 961074071 JZERCIGDGNMVNT-UHFFFAOYSA-N 301.412 -0.259 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CN(C(=O)[C@@H]3CCCNC3=O)C[C@H]2C1 961769550 CMVFVZWEPRIAOJ-FVCCEPFGSA-N 318.377 -0.411 30 20 DBED Cc1cc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)ncn1 962323619 NYONBIXUWLVGND-FXAINCCUSA-N 303.322 -0.754 30 20 DBED C=C(C)CN1C[C@@H]2C(NC(=O)c3cn(C)c(=O)nc3O)[C@H]2C1 962534942 RBPXNFUXWIPDIY-UWVGGRQHSA-N 304.350 -0.278 30 20 DBED O=C(C#CC1CC1)N1CC2(C1)CN(C(=O)[C@@H]1CCOC1)CCO2 965317932 CKHGGOSLHLRZKL-CQSZACIVSA-N 318.373 -0.124 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC2(CN(C(=O)c3csnn3)C2)C1 965479029 XSLIRWNKGOOMCM-VIFPVBQESA-N 321.362 -0.249 30 20 DBED COc1c(O)nc(O)nc1C(=O)NC[C@H]1[C@@H]2CN(CC#N)C[C@H]12 978944958 ZWZISXWYWGUQBW-PSVAKVPMSA-N 319.321 -0.672 30 20 DBED C=CCN[C@@H]1CCC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C1 981541816 NKIKBJKUCPOESD-GHMZBOCLSA-N 306.370 -0.420 30 20 DBED CN(C(=O)[C@H]1CCNC1=O)[C@@H]1CCCN(C(=O)C#CC2CC2)C1 984190694 SKUSOFPITZNHCS-KGLIPLIRSA-N 317.389 -0.015 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCC(N(C)CC(N)=O)CC1 985476302 QMJDYESEKJABIX-AWEZNQCLSA-N 306.410 -0.508 30 20 DBED C[C@H](C#N)C(=O)N1CCC(NCCN2C(=O)CNC2=O)CC1 990314021 JGPJGRPPWZMITR-SNVBAGLBSA-N 307.354 -0.722 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@@H](NC(=O)c2cnn[nH]2)[C@@H](O)C1 991604807 TZOIFLQVQFFLSZ-KOLCDFICSA-N 307.354 -0.292 30 20 DBED C=CCN1CC[C@H](N2CC[C@]3(NC(=O)C(N)=O)CCC[C@@H]23)C1=O 992139664 CHHYAORPGHJFII-HWWQOWPSSA-N 320.393 -0.628 30 20 DBED C=CCn1cccc1C(=O)NC1CN(C(=O)c2nnn(C)n2)C1 994208448 XVNDTFPLISTQKC-UHFFFAOYSA-N 315.337 -0.548 30 20 DBED C=CCn1cc(C(=O)N2CC(NC(=O)c3nonc3C)C2)nn1 994939749 PBKUDMANKAVUNO-UHFFFAOYSA-N 317.309 -0.590 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1C[C@@H](NCC(N)=O)C(C)(C)C1 995926456 VQAMWXVZZHTMBI-QWHCGFSZSA-N 306.410 -0.604 30 20 DBED C[C@@H](C#N)C(=O)N1CC([C@@H](C)NC(=O)c2cc(=O)n(C)o2)C1 1005986795 GYROITKHTYJSTK-DTWKUNHWSA-N 306.322 -0.285 30 20 DBED CN(C(=O)c1cc(=O)n2[nH]cnc2n1)C1CCN(CC#N)CC1 1006287991 CNLXBWYAHVQAJM-UHFFFAOYSA-N 315.337 -0.522 30 20 DBED C[C@H](NC(=O)c1nnn(C)n1)C1CN(C(=O)C#CC2CC2)C1 1006636385 ICQSJGBUXVGGJL-VIFPVBQESA-N 302.338 -0.800 30 20 DBED C=C[C@@](C)(CC)C(=O)N1CC[C@]2(CN(C(=O)C(N)=O)CCO2)C1 1007718539 NYFFJFNOJJCYRK-HOTGVXAUSA-N 323.393 -0.096 30 20 DBED CCn1cc(C(=O)NC[C@H]2[C@@H]3CN(C(=O)[C@@H](C)C#N)C[C@H]23)nn1 1009464980 VESVGPLRJRBBBC-FIQHERPVSA-N 316.365 -0.108 30 20 DBED N#Cc1cc(C(=O)NC2[C@H]3CN(C(=O)c4cnon4)C[C@H]23)c[nH]1 1012982318 KQLTWHSGUAEPDY-UWVGGRQHSA-N 312.289 -0.230 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H]2C(NC(=O)[C@@H]3CN(C)C(=O)N3)[C@@H]2C1 1013542534 URLOFQMTHQOKLK-MXWKQRLJSA-N 320.393 -0.205 30 20 DBED C=CCN1CC[C@@H](N2CC[C@@H](NC(=O)c3nc[nH]n3)C2)C1=O 1015871751 RZMIUHGMBKVHRS-GHMZBOCLSA-N 304.354 -0.604 30 20 DBED C=C(Cl)CN[C@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 1019233466 VAZBPAIOGFPZHU-NSHDSACASA-N 300.790 -0.639 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(=O)n(C)o2)C1 1023527702 UZDFEPAGJJWSFK-NXEZZACHSA-N 323.349 -0.508 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C2CC2)C[C@H]1O 1024358677 PSQYCAYINRULBW-HZSPNIEDSA-N 305.378 -0.818 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2O)cn1 1024927775 IFPCQBDOPCPEDS-LERXQTSPSA-N 312.329 -0.476 30 20 DBED C#CCN[C@@H]1CC[C@@H]2CN(C(=O)CC3CS(=O)(=O)C3)C[C@H]21 1026297058 GTVORYSKMXJSLV-MGPQQGTHSA-N 310.419 -0.119 30 20 DBED C#CCN[C@@H]1CC[C@H]2CN(C(=O)CN3CCC(=O)NC3=O)C[C@H]21 1026398809 NUJOBWBDHFSNRS-YNEHKIRRSA-N 318.377 -0.612 30 20 DBED CC(C)c1nnnn1CC(=O)N1C[C@@H]2CC[C@H](C1)N2CC#N 1029507444 KVCAUNPXFKRDLB-TXEJJXNPSA-N 303.370 -0.005 30 20 DBED C=C(Cl)CN1CC(NC(=O)c2c[nH]nc2S(N)(=O)=O)C1 1030934659 GHRKVOZGYLUZCG-UHFFFAOYSA-N 319.774 -0.776 30 20 DBED C=C(C)CN1CC(CNC(=O)c2cn(C)c(=O)n(C)c2=O)C1 1032021496 WZMAYJBEDWWDBM-UHFFFAOYSA-N 306.366 -0.678 30 20 DBED C#CCOc1ncccc1C(=O)NCC1CN(CC(N)=O)C1 1032136149 DTDULVLUNOIHAL-UHFFFAOYSA-N 302.334 -0.760 30 20 DBED C#CCN1CCO[C@H](CNC(=O)c2c(C)nn(C)c2OC)C1 1035527694 VRILBPPUROCEQK-GFCCVEGCSA-N 306.366 -0.199 30 20 DBED N#CCN1CC[C@H]2CN(C(=O)CN3CCOCC3=O)CC[C@H]21 1036739341 XDXOKBYIDQGIGL-QWHCGFSZSA-N 306.366 -0.708 30 20 DBED C=C(Cl)CN1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1cn(CC(N)=O)nn1 1037741650 BRLUUKGWLRDCOB-UBHAPETDSA-N 324.772 -0.682 30 20 DBED CC#CCN1[C@H]2CCC[C@H]1CN(C(=O)Cn1c(O)nnc1O)C2 1039984146 SMPGMDOWBJWWGG-RYUDHWBXSA-N 319.365 -0.222 30 20 DBED N#Cc1cccnc1N1CCO[C@H]2CCN(C(=O)C(N)=O)C[C@H]21 1040001889 WRGOTUMAXPGAIO-NEPJUHHUSA-N 315.333 -0.755 30 20 DBED C[C@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)c2ccccn2)C1 1040764797 ZFHNFDZTXKKFEE-ABAIWWIYSA-N 302.334 -0.066 30 20 DBED C[C@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)CN(C)C2CCC2)C1 1040766288 OBBOEWMVWKJZOX-WBMJQRKESA-N 322.409 -0.290 30 20 DBED C#CCCN1CC[C@]2(CCN(C(=O)CN3CCNC(=O)C3)C2)C1 1041539241 FZJUFKYCXDGMPT-KRWDZBQOSA-N 318.421 -0.634 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)c2ccon2)C1 1041707016 RVTGLQKIEPEBES-SNVBAGLBSA-N 307.306 -0.984 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)c2cc(C)nn2C)C1 1041951798 HGBSHFKHZXILMN-UHFFFAOYSA-N 306.366 -0.002 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)[C@H]2CC2(F)F)C1 1042920357 PDVKVVKZWHYRCN-VHSXEESVSA-N 316.304 -0.631 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)[C@H]2CCC(=O)NC2)C1 1043799278 BNEAJRMJMRGJBA-NSHDSACASA-N 323.393 -0.586 30 20 DBED N#Cc1cnc(N2C[C@H](O)[C@H](NC(=O)[C@H]3CCCO3)C2)cn1 1043848233 ODEZXXSLCLHVKN-GRYCIOLGSA-N 303.322 -0.807 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)[C@@]2(C)CNC(=O)C2)C1 1043943017 DPARWPREVHSQDJ-OAHLLOKOSA-N 321.377 -0.994 30 20 DBED C#CCN[C@@H]1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)[C@H](C)C1 1044624574 JNNFECGJGIJASL-CHWSQXEVSA-N 318.377 -0.851 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)[C@]2(C)CCOC2)C1 1045297395 APSMPHVWKSAEBO-OAHLLOKOSA-N 308.378 -0.238 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)C[C@](C)(O)C2CC2)C1 1045541226 RKJFUHCPHIKXQH-YGRLFVJLSA-N 309.366 -0.613 30 20 DBED N#CCN1CC[C@H](N2CCN(C(=O)c3cccnn3)CC2)C1 1046072829 OLRKLSMIHNVEFR-ZDUSSCGKSA-N 300.366 -0.168 30 20 DBED C=C1CC(C)(C(=O)NCC2(O)CN(C(=O)CC(=O)N(C)C)C2)C1 1046312351 WFTNDOWZEDRKSG-UHFFFAOYSA-N 323.393 -0.490 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@]2(C)CCC(=O)N2)C1 1049467563 IVVBAOWUYPGKTJ-MKBNYLNASA-N 323.393 -0.349 30 20 DBED CC(C)N1C[C@@H](C(=O)NC[C@@H]2COCCN2CC#N)CC1=O 1050945284 KTEORCCHAUIFFC-QWHCGFSZSA-N 308.382 -0.416 30 20 DBED N#Cc1ccc(N2CC[C@H](NC(=O)c3nc[nH]n3)[C@@H](O)C2)cn1 1051712292 LDNIWNDXJCJXEI-RYUDHWBXSA-N 313.321 -0.559 30 20 DBED N#Cc1nccc(N2CC[C@@H](NC(=O)c3cnon3)[C@@H](O)C2)n1 1051720297 XXKCXCDERFDQEL-SCZZXKLOSA-N 315.293 -0.899 30 20 DBED N#Cc1nccc(N2CC[C@H](NC(=O)c3cnco3)[C@@H](O)C2)n1 1051756723 ZSTIHTNDMSRVBE-UWVGGRQHSA-N 314.305 -0.294 30 20 DBED C#CCN1CCN([C@H]2CCN(C(=O)Cc3cncn3C)C2)CC1 1052108945 UAGYAOXGFYFDHR-HNNXBMFYSA-N 315.421 -0.186 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)[C@@H]1COCCN1CC)CCO2 1053320411 FAJLQVKMZCSMJH-HNNXBMFYSA-N 321.421 -0.356 30 20 DBED Cc1nn(C)c(F)c1C(=O)N1CCOC2(CN(CC#N)C2)C1 1053520796 LCWSNHMRAXQTPI-UHFFFAOYSA-N 307.329 -0.082 30 20 DBED C#CCN1CC2(CC[C@@H](CNC(=O)[C@H]3CCC(=O)N(C)C3)O2)C1 1053701300 RKVLCVBOFNAUJS-KBPBESRZSA-N 319.405 -0.162 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@](CO)(NC(=O)c2csnn2)C1 1056022030 BSCBAGSJGSQLPB-TVQRCGJNSA-N 323.378 -0.219 30 20 DBED CC(C)C#CC(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)CNC(N)=O 1056220783 NSFYVJUNCNOCOT-QWHCGFSZSA-N 320.393 -0.094 30 20 DBED CS(=O)(=O)CC(=O)N1CCCN(c2cncc(C#N)n2)CC1 1057100689 PSUVPQRGXXJAGW-UHFFFAOYSA-N 323.378 -0.568 30 20 DBED C#CCO[C@H](C)C(=O)NCCN(CCO)C(=O)c1coc(C)n1 1057421741 FJTMRAJGPSQBLV-LLVKDONJSA-N 323.349 -0.428 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)c1cncnc1 1057439300 HDMPMRPBUUCARH-UHFFFAOYSA-N 304.350 -0.169 30 20 DBED C=C[C@@](C)(O)CC(=O)N(CCO)CCNC(=O)CCCOC 1057449882 IUKIEOBXKFCYGT-OAHLLOKOSA-N 316.398 -0.323 30 20 DBED Cn1cc(C(=O)N[C@@H]2CCCN(c3cnc(C#N)cn3)C2)nn1 1058153666 HQLSVWCAECGNOZ-SNVBAGLBSA-N 312.337 -0.124 30 20 DBED Cc1cc(C(=O)NCCN(CCO)C(=O)[C@H](C)C#N)c(C)nn1 1058657417 YUKGDDLERHISCN-SNVBAGLBSA-N 319.365 -0.196 30 20 DBED CN1CCO[C@H](C(=O)N2CC[C@H](Nc3nccnc3C#N)C2)C1 1058857380 POPIKOMYKZSJCW-AAEUAGOBSA-N 316.365 -0.308 30 20 DBED CCn1nncc1C(=O)N1CCOC[C@H]1CNC(=O)[C@@H](C)C#N 1061846653 GEVJDUIUWVHXQN-WDEREUQCSA-N 320.353 -0.585 30 20 DBED N#Cc1nc(=NC[C@H]2CCCN2C(=O)[C@H]2CCC(=O)N2)cc[nH]1 1063450661 RAJINPSDASGQRV-GHMZBOCLSA-N 314.349 -0.548 30 20 DBED Cc1cc(C(=O)N2CCO[C@@H](CNC(=O)[C@H](C)C#N)C2)n(C)n1 1064918038 VJRIDEBMAOYTNF-PWSUYJOCSA-N 319.365 -0.155 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(C(=O)[C@@H]2[C@H]3COC[C@H]32)CCO1 1065481296 VAPWGPXGVXASJU-NYTXWWLZSA-N 318.373 -0.364 30 20 DBED Cn1cc(C(=O)N2C[C@@H]3CN(c4nccnc4C#N)C[C@@H]3C2)nn1 1065998996 DLIWCJVAGHZPFE-PHIMTYICSA-N 324.348 -0.315 30 20 DBED N#Cc1ccc(N2C[C@H]3CN(C(=O)c4cnn[nH]4)C[C@H]3C2)nn1 1066085283 SCNADHIMSGRTDE-AOOOYVTPSA-N 310.321 -0.325 30 20 DBED C=CCOCC(=O)N(C)CCCN(C)C(=O)[C@H]1COC(=O)N1 1066999048 MZEQNADMWXQPPC-LLVKDONJSA-N 313.354 -0.396 30 20 DBED C=CCCCC(=O)N[C@H]1COC2(C1)CN(C(=O)CNC(N)=O)C2 1068992601 LWJWGLWTTTWSRL-LLVKDONJSA-N 324.381 -0.503 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(NC(=O)COC)CCOCC1 1069943021 XWKAXLMZFJDXFP-LBPRGKRZSA-N 312.366 -0.547 30 20 DBED Cn1cnc(C(=O)NCc2c[nH]nc2[C@H]2CCN(CC#N)C2)n1 1070408667 YNMKPUUNKMBCMQ-JTQLQIEISA-N 314.353 -0.219 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)c4cc(=O)n(C)o4)C[C@@]3(C1)O2 1070792266 QPUQAGZLWMJBDK-HWWQOWPSSA-N 317.345 -0.473 30 20 DBED C#CCN[C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCNC2=O)CC1 1071076827 IZFOETDGZIITAH-KFWWJZLASA-N 319.405 -0.259 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CCCN(C(=O)Cc2nc[nH]n2)C1 1071378963 SZMNZZJLQZQRKE-IAQYHMDHSA-N 321.381 -0.219 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](NC(=O)C2(C)CC2)[C@H](C)C1 1071943678 QCUQLUYRDPSURH-VXGBXAGGSA-N 305.378 -0.111 30 20 DBED C=CCCOCC(=O)N1C[C@@H](NC(=O)c2cn(C)nn2)[C@H](C)C1 1072334216 YAHUVZVPVKHWFK-VXGBXAGGSA-N 321.381 -0.016 30 20 DBED COc1nccc(C(=O)NC[C@@H]2CN(CC#N)CCCO2)n1 1073691222 QKUWXEDKRZMOSC-LLVKDONJSA-N 305.338 -0.171 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)[C@@H]2CCCCC(=O)N2)C1 1073762565 GOXVCOOSCVJZIE-KGLIPLIRSA-N 307.394 -0.115 30 20 DBED C#CCN1C[C@@H]2CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)[C@@H]2C1 1076459022 WBBARGSDAWCPOT-CMPLNLGQSA-N 312.333 -0.803 30 20 DBED C#CCO[C@@H](C)C(=O)NCC[C@H](C)NC(=O)c1cn(C)c(O)n1 1076508906 ISFMJTZSBPXWJB-QWRGUYRKSA-N 322.365 -0.211 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CN(Cc3cnon3)C[C@H]2O)[nH]1 1076898520 NFFHQCSCEOIOCY-VXGBXAGGSA-N 302.294 -0.756 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCn3cc(C)nc3C2)C1 1077228856 CBEULUWOXFZCDL-RRFJBIMHSA-N 316.405 -0.061 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3cncn3C2)C1 1077260584 MLFJPEPUAKJJQB-BPLDGKMQSA-N 302.378 -0.370 30 20 DBED N#Cc1ccc(CN2C[C@@H](O)[C@H](NC(=O)c3cnn[nH]3)C2)s1 1077287409 YQQPUEDKQRLKRA-VXGBXAGGSA-N 318.362 -0.287 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3nnn(C)c3C2)C1 1077576397 MHHUKYWAPZFHNV-UXIGCNINSA-N 317.393 -0.895 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)c2cnn(CCN(C)C)c2)C1 1077816984 GQBZXTHDVUOYMP-HUUCEWRRSA-N 319.409 -0.757 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCCN2C(=O)C(C)C)C1 1078222477 CUOPMIUZGDMDJN-RBSFLKMASA-N 321.421 -0.182 30 20 DBED N#CCN[C@H]1C[C@H](NC(=O)CN2C(=O)CNC2=O)C12CCC2 1078802522 DZZAFQNJOGNYAX-UWVGGRQHSA-N 305.338 -0.921 30 20 DBED C#CCOCCC(=O)N1CCC[C@@H](N(C)C(=O)C(N)=O)CC1 1079051622 BAEWKVMYZJMZIS-GFCCVEGCSA-N 309.366 -0.649 30 20 DBED C=CCOCC(=O)N1CC(N(CC)C(=O)[C@H]2COCCO2)C1 1079353650 PRLLQUVSYVJDIT-CYBMUJFWSA-N 312.366 -0.336 30 20 DBED CCN(C(=O)C#CC1CC1)C1CN(C(=O)CS(C)(=O)=O)C1 1079736943 QJBFOCIEGDISSX-UHFFFAOYSA-N 312.391 -0.496 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2CN(CC(=O)NC)C[C@H]2C)c1 1080408734 OOHAVXAEIMNDGA-BXUZGUMPSA-N 300.362 -0.141 30 20 DBED CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)CN2CCCC2=O)C1 1080411035 CWQUWCSLBRYHDQ-NSHDSACASA-N 306.366 -0.172 30 20 DBED C#CCOCCC(=O)NC1(CO)CCN(C(=O)[C@H](C)C#N)CC1 1080859240 PJNHLEIAABLAER-CYBMUJFWSA-N 321.377 -0.344 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)C2=COCCC2)C[C@@H]1O 1081345787 AEOXBZDFQIMFEM-KGLIPLIRSA-N 324.377 -0.181 30 20 DBED CC(C)N1CCO[C@@H](C(=O)N2CCO[C@@H]3CN(CC#N)C[C@@H]32)C1 1083174384 GNADPVBDAFHCKK-RRFJBIMHSA-N 322.409 -0.469 30 20 DBED Cn1cc(CN2C[C@H](O)[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)cn1 1083392311 BTCFLIWWPMRXSG-KGLIPLIRSA-N 314.349 -0.405 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)[C@@]2(C3CCCC3)CCNC2=O)C1 1083536549 WWFQYBPEAGOKSS-DVOMOZLQSA-N 320.393 -0.632 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)c2ccn(CC(F)F)n2)C1 1083549497 LUXVZCLPWCUDEM-NEPJUHHUSA-N 312.320 -0.054 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)[C@H]2CCCN(C(C)=O)C2)C1 1083617443 MMEXQKBIQFZBNM-ZNMIVQPWSA-N 309.410 -0.018 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2csc(-c3ncc[nH]3)n2)C1 1083656369 QBHDJNABJIKOLM-SCZZXKLOSA-N 318.362 -0.168 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCCN(CC(F)F)C2)C1 1083733789 DRXLWVNQHQMTPA-UTUOFQBUSA-N 316.352 -0.352 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)CN3CC(=O)N(C)C3=O)C[C@@H]2C1 1088169214 MOBZMRJUAYOWFA-OLZOCXBDSA-N 318.377 -0.706 30 20 DBED C=CCN1CC[C@H](NC(=O)CN2CCS(=O)(=O)CC2)[C@H]1C 1089035625 NEZRTMPMQJWCHN-OLZOCXBDSA-N 315.439 -0.518 30 20 DBED C[C@@H](C[C@@H](C)Nc1nccnc1C#N)NC(=O)c1nnn(C)n1 1089447144 DGQCHJDVUUZQSX-BDAKNGLRSA-N 315.341 -0.119 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2ccnn2CC(F)F)[C@H](O)C1 1090266146 RPKNGOLFZSAZRJ-MWLCHTKSSA-N 313.308 -0.163 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2cc(CN(C)C)on2)[C@@H](O)C1 1090383015 WCQUWIPCMCGADF-HIFRSBDPSA-N 320.393 -0.076 30 20 DBED Cc1nn(C)c(C)c1CC(=O)N[C@H]1CCN(CC#N)C[C@@H]1O 1090464288 RSOCSWBBIYVXIR-KBPBESRZSA-N 305.382 -0.346 30 20 DBED C#CCN1CC[C@H](NC(=O)c2ccc3nc(O)[nH]c3n2)[C@@H](O)C1 1090524357 ZBDFHRANIQFJDC-CABZTGNLSA-N 315.333 -0.538 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@@H]1O 1091093121 RFXDZIRVAVLZDT-YCPHGPKFSA-N 316.361 -0.054 30 20 DBED CC(=O)NC(C)(C)C(=O)N1CCN(c2ccnc(C#N)n2)CC1 1093163948 SVFHOPZFROSUNY-UHFFFAOYSA-N 316.365 -0.088 30 20 DBED CN(C)C(=O)c1cncc(NCCNC(=O)CSCC#N)n1 1093526610 OPWTUXPZDCZYRY-UHFFFAOYSA-N 322.394 -0.037 30 20 DBED CCc1nc(C#N)cc(NCCNC(=O)CN2CCOCC2)n1 1093552559 BYPTZVSLWVGHOF-UHFFFAOYSA-N 318.381 -0.229 30 20 DBED CCc1nc(C#N)cc(NCCNC(=O)Cn2cncn2)n1 1093621222 CFBQFMFSTPPVRX-UHFFFAOYSA-N 300.326 -0.270 30 20 DBED N#Cc1c(Cl)nsc1NCCNC(=O)Cn1ncnn1 1093889896 OFPMEJVAHBZRHH-UHFFFAOYSA-N 312.746 -0.117 30 20 DBED N#Cc1nccnc1NCCNC(=O)C[C@H]1CCC(=O)NC1 1093924033 COPLHVSHMTWCAZ-SNVBAGLBSA-N 302.338 -0.207 30 20 DBED CN1CCO[C@H](C(=O)NCCCNc2ccc(C#N)nn2)C1 1094349391 UDUVEPYXDSRLHZ-LBPRGKRZSA-N 304.354 -0.403 30 20 DBED CNC(=O)NCCC(=O)N1CC[C@@H](Nc2cncc(C#N)n2)C1 1095032105 LDPFOENGTMXBAX-SNVBAGLBSA-N 317.353 -0.320 30 20 DBED C=CCN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN1C(=O)CNC1=O)C2 1095052213 LMDBTXUJGCHIIW-TUAOUCFPSA-N 306.366 -0.307 30 20 DBED CN(CCCNC(=O)[C@@H]1CNC(=O)N1)c1ccncc1C#N 1095715438 POLHDVWOHFYNCE-NSHDSACASA-N 302.338 -0.423 30 20 DBED COC(=O)NCC(=O)N[C@@H]1CCN(c2ccc(C#N)nn2)C1 1096325471 RXNFENRRMMORPN-SNVBAGLBSA-N 304.310 -0.601 30 20 DBED N#Cc1nc(=N[C@H](CNC(=O)[C@H]2CCNC2=O)C2CC2)cc[nH]1 1096784282 ZNBINMGJZFCHGO-WDEREUQCSA-N 314.349 -0.787 30 20 DBED C[C@H](CNC(=O)[C@@H]1COCCN1C)Nc1nccnc1C#N 1097764113 AXGXNKMEKMFMRX-PWSUYJOCSA-N 304.354 -0.405 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H](C)Nc1nc(C)cc(OC)n1 1097768689 QDZXVHQIWQFMBE-NSHDSACASA-N 319.365 -0.150 30 20 DBED C[C@H](CNC(=O)C[C@H]1CC(=O)NC1=O)Nc1ccc(C#N)cn1 1097945571 QLALEPQNMANFNM-KOLCDFICSA-N 315.333 -0.077 30 20 DBED C[C@H](CNC(=O)CN1CCNC(=O)C1)Nc1ccc(C#N)cn1 1098188263 FNABUSCXQQEVQD-LLVKDONJSA-N 316.365 -0.698 30 20 DBED C=CCCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cn1c(O)nnc1O 1098287520 GXZCCQZOUXKULH-MXWKQRLJSA-N 307.354 -0.013 30 20 DBED C[C@@H](O)CNCc1cn([C@H]2CCN(C(=O)C#CC3CC3)C2)nn1 1098669944 ZJVZJRCXLSPLSI-DOMZBBRYSA-N 317.393 -0.065 30 20 DBED C=CCNCc1cn([C@@H]2CCN(C(=O)[C@H](C)CC(N)=O)C2)nn1 1098696983 AZKRINPCJMRGTQ-DGCLKSJQSA-N 320.397 -0.161 30 20 DBED C#CCCN1CC[C@H](NC(=O)CNC(=O)N2CCCC2)[C@H](O)C1 1099830426 RQJWMYFJMLSHKS-UONOGXRCSA-N 322.409 -0.634 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)CCCF)[C@@H](O)C1 1099952613 WGQKDSUCFBCJOL-NEPJUHHUSA-N 301.362 -0.410 30 20 DBED CN1CCO[C@H](C(=O)NCCN(C)c2cnc(C#N)cn2)C1 1099996287 FHEADAHYPRJURU-LBPRGKRZSA-N 304.354 -0.769 30 20 DBED C=CCN1CC[C@H](NC(=O)COCc2ncnn2C)[C@@H](O)C1 1100057570 HLGJARKPYQWTPW-RYUDHWBXSA-N 309.370 -0.931 30 20 DBED CN(CCNC(=O)CN1CCCCC1=O)c1cncc(C#N)n1 1100401855 MQFMGDOJXHXIGA-UHFFFAOYSA-N 316.365 -0.087 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)CN(C)CCC)C1 1100901945 WSKBHBVDPPXMSC-UHFFFAOYSA-N 308.426 -0.438 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)c2[nH]cnc2CC)C1 1100928301 CDWUINDZWCUVHK-UHFFFAOYSA-N 317.393 -0.181 30 20 DBED N#Cc1ccc(N2CC[C@H](CNC(=O)Cn3nccn3)C2)nn1 1101019907 ZMUPBLZTAJTGHQ-LLVKDONJSA-N 312.337 -0.418 30 20 DBED C[C@@H](CC(N)=O)C(=O)NC[C@H]1CCN(c2cnc(C#N)cn2)C1 1101035459 FGORFQVAACDXFF-WDEREUQCSA-N 316.365 -0.198 30 20 DBED CN(CCNc1nccnc1C#N)C(=O)[C@H]1CC[C@@H]1C(N)=O 1101893221 TZFAJCFECKEKTE-UWVGGRQHSA-N 302.338 -0.270 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@@H](C)[C@H](CCNC(=O)CC(N)=O)C1 1102814814 BAARQWUMOIEORG-JHJVBQTASA-N 324.425 -0.373 30 20 DBED CC[C@@H](CNC(=O)[C@H]1COC(=O)N1)N=c1cc[nH]c(C#N)n1 1103052415 GRRNQUXILIGHDE-DTWKUNHWSA-N 304.310 -0.815 30 20 DBED Cc1c(C(=O)NC[C@H](C)CN=c2cc[nH]c(C#N)n2)nnn1C 1103888338 IGDBOWFWOLNLQL-SECBINFHSA-N 314.353 -0.315 30 20 DBED C#CCNCC[C@@H]1CN(C(=O)c2nnc(O)nc2O)C[C@H]1C 1104388277 OURGKJDTPIKKSA-NXEZZACHSA-N 305.338 -0.396 30 20 DBED Cc1cc(C#N)nc(N(C)CCN(C)C(=O)Cn2ncnn2)n1 1105473229 UOLPDCCPRNXGPL-UHFFFAOYSA-N 315.341 -0.762 30 20 DBED N#Cc1cnc(NC[C@@H](O)CNC(=O)C2=COCCC2)cn1 1105742970 VIPMMQSFKXZDPF-GFCCVEGCSA-N 303.322 -0.068 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)[C@H]2CCNC(=O)C2)nc1 1105790647 KUBDDCWGIWVPEI-NWDGAFQWSA-N 317.349 -0.632 30 20 DBED COc1ccnc(NC[C@H](O)CNC(=O)c2c[nH]c(C#N)c2)n1 1105830836 OGCWRKPEDZMOCJ-LLVKDONJSA-N 316.321 -0.112 30 20 DBED CN(C)[C@H](C(=O)NC[C@H](O)CNc1cnc(C#N)cn1)C1CC1 1105995444 SYOHOPIPNMARBV-OCCSQVGLSA-N 318.381 -0.423 30 20 DBED Cc1nc(C)c(C(=O)NC[C@@H](O)CNc2nccnc2C#N)[nH]1 1106110559 VABFSUNKMURJQM-JTQLQIEISA-N 315.337 -0.109 30 20 DBED CCN(CCNc1cncc(C#N)n1)C(=O)[C@@H]1CNC(=O)N1 1106928831 SNSLWOVJQLQINT-JTQLQIEISA-N 303.326 -0.710 30 20 DBED C=CCCC(=O)NC[C@]1(C)CN(CC(=O)NCC#N)CCO1 1107801789 ATSWXPKJDOYMKG-OAHLLOKOSA-N 308.382 -0.201 30 20 DBED C=C(Cl)CN1CCO[C@](C)(CNC(=O)CNC(=O)NC)C1 1107982802 YYUNNNDWILCSMQ-CYBMUJFWSA-N 318.805 -0.125 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)[C@]2(CC)CCNC2=O)C1 1108008165 MGJLPYGGWWAINA-HZPDHXFCSA-N 307.394 -0.257 30 20 DBED C[C@@H](CNc1cnc(C#N)cn1)NC(=O)c1cc(=O)n(C)o1 1108335487 DBDBNZCNHSVCDR-QMMMGPOBSA-N 302.294 -0.130 30 20 DBED C=CCCC(=O)N[C@@H]1CC(=O)N(C2CN([C@@H]3CCNC3=O)C2)C1 1108520437 UFZCRNOCKFODNP-DGCLKSJQSA-N 320.393 -0.758 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)CCC(=O)NCC)CC2=O)C1 1108522868 YAUSLHJRLRHLIS-GFCCVEGCSA-N 322.409 -0.510 30 20 DBED C[C@@H](CNc1nccnc1C#N)NC(=O)[C@H]1CCCNC1=O 1108570685 YIBOJVUHLVSVBU-UWVGGRQHSA-N 302.338 -0.209 30 20 DBED CCN1CCOC[C@@H]1C(=O)N[C@@H](C)CN=c1cc[nH]c(C#N)n1 1108597960 DSFDTPFIIVCLCF-NWDGAFQWSA-N 318.381 -0.593 30 20 DBED CCC(=O)NCC(=O)N[C@H](C)CN(C)c1ccnc(C#N)n1 1108879519 FJYBZJQZZBJRNW-SNVBAGLBSA-N 304.354 -0.185 30 20 DBED C[C@@H](CN(C)c1cncc(C#N)n1)NC(=O)[C@H](C)NC(N)=O 1108915505 NJHHBKRQPNVMIG-IUCAKERBSA-N 305.342 -0.654 30 20 DBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H]1COC(=O)N1 1109218432 IIIONZYJZBBCOF-KXNHARMFSA-N 322.365 -0.882 30 20 DBED N#Cc1ccc(NC[C@H](NC(=O)Cn2cnnn2)C2CC2)nn1 1109776039 ZEHOUQJKPADDGC-NSHDSACASA-N 313.325 -0.658 30 20 DBED C[C@H](CC(N)=O)C(=O)NCC1(Nc2cnc(C#N)cn2)CC1 1110298549 WMLRUNKLOMZUCR-SECBINFHSA-N 302.338 -0.080 30 20 DBED CO[C@@H](C)CCC(=O)N(CCO)CCN=c1cc[nH]c(C#N)n1 1111454598 KSSGKNVUSRIFLS-LBPRGKRZSA-N 321.381 -0.182 30 20 DBED Cn1ccc(C(=O)N(CCO)CCNc2ccc(C#N)nn2)n1 1111476189 BPHKAWYTUWWVJP-UHFFFAOYSA-N 315.337 -0.372 30 20 DBED CN(CCCN(C)c1ccc(C#N)nn1)C(=O)Cn1cncn1 1112087274 WCIKUHLIDUWENB-UHFFFAOYSA-N 314.353 -0.075 30 20 DBED C#CCNC[C@]12CCC[C@H]1CN(C(=O)CCNC(=O)COC)C2 1112382171 IWTFOMALZMDXML-YOEHRIQHSA-N 321.421 -0.009 30 20 DBED C[C@@H](CNC(=O)CNC(=O)C1CC1)N(C)c1ccc(C#N)nn1 1113504809 FUKZWSYXLHGLEL-JTQLQIEISA-N 316.365 -0.185 30 20 DBED C[C@H](CNC(=O)[C@@H]1CN(C)CCO1)N(C)c1ccnc(C#N)n1 1113534351 YDLODOFHLGCTNC-NEPJUHHUSA-N 318.381 -0.380 30 20 DBED CCN(CCC#N)C(=O)CN1C[C@H]2C(NC(=O)[C@H](C)C#N)[C@@H]2C1 1114064453 REJKGPLBBQMESX-JHJVBQTASA-N 317.393 -0.045 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@@H]2CN(CCC[C@H](C)O)C[C@@H]12 1114159781 LRQKTCHVVAPJPU-YNEHKIRRSA-N 307.394 -0.667 30 20 DBED C#CCO[C@H](C)C(=O)NC1[C@H]2CN(CCn3cncn3)C[C@H]12 1114274016 YTGCCNWUXZFZDA-AGIUHOORSA-N 303.366 -0.637 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)CC(C)(C)COC)[C@@H]2C1 1114611050 OSJIDMKNFFVGNO-CHWSQXEVSA-N 321.421 -0.155 30 20 DBED CCc1nc(C#N)cc(N[C@H](C)CN(C)C(=O)CNC(N)=O)n1 1115603262 QDNRQJKXROYHCL-SECBINFHSA-N 319.369 -0.162 30 20 DBED C=CC[C@H]1NC(=O)N(C2CCN(S(C)(=O)=O)CC2)C1=O 1116771210 XDRJRFNJCBRCEJ-SNVBAGLBSA-N 301.368 -0.093 30 20 DBED C#C[C@H](CC)NC(=O)C(=O)Nc1cnn(CC(=O)NC2CC2)c1 1116774697 UMFHYQIRJPKNOF-SNVBAGLBSA-N 317.349 -0.372 30 20 DBED C[C@@H](C#N)OCCSCC(=O)N[C@@H]1CCS(=O)(=O)C1 1116959977 IYIKBYWKYOUXHF-VHSXEESVSA-N 306.409 -0.048 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCC[C@@H]1c1nncn1C 1117437296 YCYFFERDNFUKBW-LLVKDONJSA-N 305.338 -0.755 30 20 DBED C=C[C@H](C)ONC(=O)C(=O)Nc1cc(C)n(CC(=O)NC)n1 1118313860 RGIRDXUGJAHJTE-VIFPVBQESA-N 309.326 -0.502 30 20 DBED C=CCN(C(=O)C(=O)NCCN1CCNCC1)[C@H](C)COC 1118485829 GDXBPZHFYXZHBP-CYBMUJFWSA-N 312.414 -0.943 30 20 DBED CN1CCC[C@@H](NC(=O)C(=O)Nc2ccn(CCC#N)n2)C1=O 1118908160 PESUNRXVKSOXBR-SNVBAGLBSA-N 318.337 -0.528 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)C[C@@H]2CCOC2)CC1 1119054846 XLPKJOCEYWAZCN-LBPRGKRZSA-N 315.395 -0.975 30 20 DBED C=C(C)COCCn1nnnc1N1CCC(CO)(CO)CC1 1120102305 QWECHLLYPLKRPG-UHFFFAOYSA-N 311.386 -0.163 30 20 DBED N#Cc1nccnc1N[C@@H](CO)CNC(=O)c1cnsn1 1121091579 CPMHAJMNJZNYOY-SSDOTTSWSA-N 305.323 -0.597 30 20 DBED CCO[C@H](C)C(=O)NC[C@H](CO)Nc1nc(C)cc(C#N)n1 1121223951 ZEKKSIHWOMEPNC-ZYHUDNBSSA-N 307.354 -0.029 30 20 DBED Cc1cc(CC(=O)NC[C@H](CO)Nc2ccc(C#N)nn2)no1 1121228332 GOPPPYHTZZFJON-GFCCVEGCSA-N 316.321 -0.224 30 20 DBED N#Cc1nc(=N[C@H](CO)CNC(=O)CC[C@H]2CCOC2)cc[nH]1 1121417545 FAEZUNKGMQAKHZ-RYUDHWBXSA-N 319.365 -0.524 30 20 DBED Cc1nonc1C(=O)NC[C@@H](CO)N=c1cc[nH]cc1C#N 1121735606 XWMZGHOHWMXQSY-JTQLQIEISA-N 302.294 -0.731 30 20 DBED Cc1ccoc1CC(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1 1122500558 IPOCNMBJZVIDPQ-LLVKDONJSA-N 315.333 -0.197 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)c1ncoc1C 1124375104 AHBFUWSPRGXAPV-UHFFFAOYSA-N 309.326 -0.686 30 20 DBED CN(C[C@H](O)CNc1nccnc1C#N)C(=O)c1cnco1 1124620834 BCGWHXBKRDFNNR-SECBINFHSA-N 302.294 -0.119 30 20 DBED C=CCOCC(=O)NCCNCC(=O)NCc1cccnc1 1124765055 JHOOPDWKXZRRLG-UHFFFAOYSA-N 306.366 -0.394 30 20 DBED C#CCO[C@@H](C)C(=O)NCCNCC(=O)Nc1nccs1 1127039252 GOYMWWCDHYEYAC-JTQLQIEISA-N 310.379 -0.174 30 20 DBED C#CCO[C@@H](C)C(=O)NCCNCC(=O)NC1CCOCC1 1127040077 XXAJDYIWVFXOFW-LBPRGKRZSA-N 311.382 -0.974 30 20 DBED C=CCCC(=O)N1C[C@H](n2ccnn2)[C@H](N[C@H](C)C(N)=O)C1 1129666630 DADAMUHEKHJASE-UTUOFQBUSA-N 306.370 -0.540 30 20 DBED N#CCN[C@@H]1CN(C(=O)COCC(F)F)C[C@@H]1n1ccnn1 1129947760 OPCTTWPLXUMTIH-ZJUUUORDSA-N 314.296 -0.575 30 20 DBED C[C@@H](C#N)C(=O)NCc1nc([C@H]2CCO[C@H]2CNCC#N)n[nH]1 1130202894 NQCMCZIWSFSMSU-DCAQKATOSA-N 317.353 -0.434 30 20 DBED C#CCCN1CC[C@H](c2n[nH]cc2CNC(=O)CC(N)=O)C1 1130376904 PKNBKTBCBJSESN-NSHDSACASA-N 303.366 -0.286 30 20 DBED COCC#CCNCCNC(=O)Cc1cc(=O)n(CC(C)C)[nH]1 1130926004 RLKCSQYWRHWAIA-UHFFFAOYSA-N 322.409 -0.270 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)NCCN[C@@H]1CCCN(C)C1=O 1134816655 GNVGFYGZVKVVHE-ZIAGYGMSSA-N 324.425 -0.216 30 20 DBED C#CCN[C@H](C)C[C@H](C)NC(=O)CCn1cc[nH]c(=O)c1=O 1135686709 MBKPOIIQZIQGQI-NEPJUHHUSA-N 306.366 -0.567 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC2(CCN(C[C@H](O)COC)C2)C1 1147445401 FRYVXJARRHRJBN-DZGCQCFKSA-N 312.410 -0.145 30 20 DBED C#CCOCCC(=O)N1CC2(CCN(Cc3nncn3C)C2)C1 1147530542 OPKAHOJXBLTHFL-UHFFFAOYSA-N 317.393 -0.111 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1sccc1COC 1147743657 MWWRMCDYLLVZGG-UHFFFAOYSA-N 309.391 -0.037 30 20 DBED C=CCNC(=O)CNCCNC(=O)CO[C@@H](C)c1nccn1C 1149293413 FVOIMIIDHDXJIX-LBPRGKRZSA-N 323.397 -0.494 30 20 DBED CNC(=O)[C@@H](C)N1CCCO[C@H](CNC(=O)C#CC2CC2)C1 1149694023 GQTIKEYODUQBMC-TZMCWYRMSA-N 307.394 -0.259 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)C(C)(C)S(C)(=O)=O)C1 1150410124 IAOCBWHFHKMUFB-LBPRGKRZSA-N 316.423 -0.350 30 20 DBED N#CCNC(=O)CNCCNC(=O)COc1ccc(F)cc1 1150685729 SMOSXIDTXIFSHK-UHFFFAOYSA-N 308.313 -0.450 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)c1snnc1C 1151819405 LPUIOONJOQPQLV-SECBINFHSA-N 324.410 -0.074 30 20 DBED CCN(CC#CCOC)[C@H](C)CNC(=O)[C@@H]1CCNC(=O)C1 1152734317 RNIUEYPNUJKSBF-ZIAGYGMSSA-N 309.410 -0.011 30 20 DBED CC#CCNCCCNC(=O)c1ccc(=O)n(CCOC)n1 1162097925 XFOTWRWSHMDPLL-UHFFFAOYSA-N 306.366 -0.378 30 20 DBED C=CCN(CC=C)C(=O)CNCCCNC(=O)[C@@H](C)CC(N)=O 1163905599 RHNYGKYLZKUNRK-ZDUSSCGKSA-N 324.425 -0.206 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)C1(C(=O)NC)CC1 1168285386 AACZLXGFYRRJEV-NSHDSACASA-N 310.398 -0.701 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCC[C@H](C)NC(=O)c1cnn[nH]1 1171652402 UZDBIPYDAJORGO-NWDGAFQWSA-N 320.397 -0.179 30 20 DBED C=CCNC(=O)CNCCCNC(=O)CNC(=O)[C@H](C)CC 1176328794 YDTZGOCTYNBCJB-GFCCVEGCSA-N 312.414 -0.453 30 20 DBED C#CCNC(=O)CN1CCO[C@@H]2CCN(C(=O)C(C)C)C[C@H]21 1176912892 ODZNNXLDAXVFKC-ZIAGYGMSSA-N 307.394 -0.307 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)CCCn3ccnn3)C[C@H]21 1177036909 WUDWCCXIPNVJFV-HUUCEWRRSA-N 317.393 -0.007 30 20 DBED C=CCOCC(=O)N1CC[C@H](N[C@@H]2CCC(=O)NC2=O)[C@@H]1C 1178339088 TXWFWLJXVBIGEW-SDDRHHMPSA-N 309.366 -0.427 30 20 DBED Cc1nonc1C(=O)NCCCCCCNCC(=O)NCC#N 1180477776 FOLMRNQKTOBFPW-UHFFFAOYSA-N 322.369 -0.102 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@@H](NCC(=O)N(C)CC)C1 1183354260 YEGCBSDEMUPEEE-CABCVRRESA-N 320.437 -0.247 30 20 DBED CC#CCNC[C@@H]1CCN(C(=O)c2nnc(O)nc2O)C[C@@H]1C 1184747093 LJFPDMNHGUMKKA-QWRGUYRKSA-N 319.365 -0.006 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)Cn2ccc(C)n2)C1 1185731075 LSOCYUUMWKJLTC-UONOGXRCSA-N 317.393 -0.480 30 20 DBED C=CCCNCc1cn([C@@H]2CCCN(C(=O)C(N)=O)C2)nn1 1185999440 IHCLRIGRYQROFS-GFCCVEGCSA-N 306.370 -0.407 30 20 DBED CC#CCN[C@@H]1CCN(C(=O)CCCN2C(=O)CNC2=O)C1 1187711277 KKPZROFFLHYRMU-GFCCVEGCSA-N 306.366 -0.468 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)CCCC(=O)NC)C1 1189786795 JOQPIOSCRCHUHO-CYBMUJFWSA-N 324.425 -0.262 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@H]1CCN(C(=O)c2cn(C)nn2)C1 1189962560 FMQDJUJCYIKSJB-RYUDHWBXSA-N 318.381 -0.901 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(CCOCC(F)F)C[C@H]1O 1192890817 CUJZRUOXOTVDOK-IJLUTSLNSA-N 320.336 -0.532 30 20 DBED CCCN(C)CCC(=O)N1CC[C@H](N(C)CC(=O)NCC#N)C1 1193600425 CQMIUIHYJOREDQ-AWEZNQCLSA-N 323.441 -0.109 30 20 DBED CCOc1cc(C(=O)N[C@@H]2CN(CC#CCOC)C[C@H]2O)on1 1194745562 LZIBRQCSQZWYCW-VXGBXAGGSA-N 323.349 -0.502 30 20 DBED C=CCC1(C(=O)N[C@@H]2CN(C[C@H](O)COC)C[C@H]2O)CCC1 1195897082 OAPMAVRRJDZGLE-BFHYXJOUSA-N 312.410 -0.099 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)N1CCCN(CC(=O)NC)CC1 1197346716 VQCUGLPDJTWXSH-AWEZNQCLSA-N 324.425 -0.262 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)CCNC(=O)c2cccs2)C1 1198571357 WYSKKUUZRNHKBQ-VXGBXAGGSA-N 321.402 -0.338 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)[C@H]2C[C@H]2C(=O)OC)CC1 1199667732 OSJXQGIMUAFVFO-QWHCGFSZSA-N 323.393 -0.322 30 20 DBED C=CCNC[C@H]1CN(C(=O)[C@H](C)NS(C)(=O)=O)CCCO1 1201507442 VUAAOSRUXAVHHV-RYUDHWBXSA-N 319.427 -0.683 30 20 DBED COCC#CCNC1CCN(C(=O)c2ccc(C(N)=O)[nH]2)CC1 1202527097 XHQOVAWSHRZUNK-UHFFFAOYSA-N 318.377 -0.042 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)Cc2ncc[nH]2)CC1 1203052145 MAXYNEGKXVUWBQ-UHFFFAOYSA-N 305.382 -0.165 30 20 DBED CNC(=O)CC(=O)N1C[C@H]2CC[C@H]1[C@@H](NCC#CCOC)C2 1204257232 XVJGJDMNHPDBNZ-IHRRRGAJSA-N 307.394 -0.259 30 20 DBED C=C(C)CNCC1CCN(C(=O)Cn2ncn(C)c2=O)CC1 1205567421 KCKDOKGCDJPXHE-UHFFFAOYSA-N 307.398 -0.014 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)[C@H](C(C)C)N(C)C)[C@H](C)C1 1207643929 SDJZHJJYWONFFV-FMKPAKJESA-N 322.453 -0.242 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)c2cnc(C)[nH]2)C1 1207672530 KHOROJQVAYRNRK-LBPRGKRZSA-N 303.366 -0.338 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCC[C@H](NCc2nc(=O)n(C)[nH]2)C1 1207950263 JCRKKHCEGVOJJW-XHDPSFHLSA-N 323.397 -0.484 30 20 DBED C#CCC1(C(=O)N2CCC[C@H](NCC(=O)NC(N)=O)C2)CCC1 1208318524 BDZAOPZGLCZBRI-LBPRGKRZSA-N 320.393 -0.045 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CCCN(C(=O)C(C)(C)C(N)=O)C1 1208373305 HXDOJUFZEVNBAC-NWDGAFQWSA-N 324.425 -0.231 30 20 DBED COCC#CCN1C[C@@H](NC(=O)[C@]2(C)CCC(=O)N2)[C@H](C)C1 1208520358 GFYQZSVQKACBHZ-IOASZLSFSA-N 307.394 -0.259 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)c2ccnc(O)c2)C[C@H]1C 1214431071 KIILHFOEVGBFBH-DGCLKSJQSA-N 316.361 -0.413 30 20 DBED C=CCOCC(=O)N[C@@H]1CN([C@H](C)C(=O)NC2CC2)C[C@@H]1O 1219366296 XTGWHQHNKCKADP-RTXFEEFZSA-N 311.382 -0.983 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)c2coc(C)n2)C1 1219506090 ZKMVNSRRICWYBF-XWIASGKRSA-N 322.365 -0.551 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(Cc2cn(CC)nn2)C[C@@H]1O 1219536138 LLHNENOSZZKGDN-VNHYZAJKSA-N 323.397 -0.714 30 20 DBED COCC#CCN1CC[C@@H]2CN(C(=O)[C@@]3(C)CNC(=O)C3)[C@@H]2C1 1221705228 TWTGLMGFPQHMSO-CKEIUWERSA-N 319.405 -0.305 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)Cc3cnoc3)[C@@H]2C1 1221763186 WGBKBQQPQQWXMJ-ZIAGYGMSSA-N 316.361 -0.501 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC(CNC(=O)c2cc[nH]n2)CC1 1222441016 YWLSVTYVFVJWFK-GFCCVEGCSA-N 317.393 -0.011 30 20 DBED C=CCOCC(=O)NC1CCN(CC(=O)NC(=O)NC)CC1 1226589456 QRXXQEAGUCRXNL-UHFFFAOYSA-N 312.370 -0.775 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)CN2CC[C@@H](C)C2)CC1 1229184874 DELCPLNWGMFBQF-CQSZACIVSA-N 320.437 -0.342 30 20 DBED C=C(Cl)CN1CCS(=O)(=O)[C@@H](CCNC(=O)COC)C1 1230396872 UOVGDUAJBHEKLD-NSHDSACASA-N 324.830 -0.009 30 20 DBED C=CCNC(=O)NC(=O)CN1CC[C@@H]1CN(C)C(=O)COC 1230539443 VZMDPGQMBRZIPP-LLVKDONJSA-N 312.370 -0.823 30 20 DBED C=CCOCC(=O)N(C)C[C@H]1CCN1CCN1C(=O)CCC1=O 1231246624 HKLWRWZHAALKJN-CYBMUJFWSA-N 323.393 -0.129 30 20 DBED N#CCNC(=O)CN1CCC[C@H](NC(=O)c2ccccn2)C1 1267620432 AKTLZPQSTVZBOP-LBPRGKRZSA-N 301.350 -0.084 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1319385930 CINONHLJNRGWDT-VIFPVBQESA-N 307.262 -0.562 30 20 DBED CNCCCc1[nH]nc(NC(=O)CN(C)C(=O)COC)c1C#N 1319761078 XNANAFFHCZHFFU-UHFFFAOYSA-N 322.369 -0.523 30 20 DBED CCc1ncsc1NC(=O)C(=O)NCCn1cnc(C#N)n1 1323105606 XIENRSSVQYMBLM-UHFFFAOYSA-N 319.350 -0.076 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CCC[C@H](OCCOC)C1 1323528840 ULCUPJNBPDJHFR-OLZOCXBDSA-N 314.382 -0.042 30 20 DBED C=CCOC[C@@H](NC(=O)C1CCS(=O)(=O)CC1)C(=O)OC 1325062702 CMYLMVUAOMDNTO-LLVKDONJSA-N 319.379 -0.328 30 20 DBED C[C@H](C(=O)NCCCN1CCC[C@H]1C(N)=O)n1cnc(C#N)n1 1331881553 LPLKDHXUPQAWPM-MNOVXSKESA-N 319.369 -0.833 30 20 DBED COc1ccc(CNC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)nc1 1332222030 GWHYQUSJNLCNEB-HNNXBMFYSA-N 318.333 -0.417 30 20 DBED C#CCOc1ccccc1Cn1nnnc1N1CCNC(=O)C1 1334881741 FNVIHOZNEPXALB-UHFFFAOYSA-N 312.333 -0.330 30 20 DBED C=CCC1(O)CCN(C(=O)C(=O)N[C@@H](C)C[S@](C)=O)CC1 1353756480 XWMGDYMXWRWSTH-MQJDWESPSA-N 316.423 -0.201 30 20 DBED CCn1ccnc1[C@H](C)NC(=O)Cn1cc(C#N)c(O)nc1=O 1362661475 SCWULSUHQRRQGN-VIFPVBQESA-N 316.321 -0.086 30 20 DBED COC1([C@@H](C)Nc2[nH]c(=O)n(C)c(=O)c2C#N)CCOCC1 1364197975 IFZNXWOCHZSKEF-SECBINFHSA-N 308.338 -0.059 30 20 DBED C[C@@H](NC(=O)CSc1nnc(CC#N)n1C)C(=O)N(C)C 1365257191 CRLQVLCEHSDZKP-MRVPVSSYSA-N 310.383 -0.434 30 20 DBED CCCS(=O)(=O)CC(=O)N[C@H](C)CNC(=O)[C@H](C)C#N 1386458132 RGNYGXBLUUFMEI-NXEZZACHSA-N 303.384 -0.408 30 20 DBED CN(CCNC(=O)[C@H]1C[C@H]1C(N)=O)C(=O)c1cc(C#N)c[nH]1 1388110599 NPGNNTUVQCTTIL-ZJUUUORDSA-N 303.322 -0.804 30 20 DBED CC(=O)N1CC(C(=O)N2CCC[C@H](NC(=O)[C@H](C)C#N)C2)C1 1388942362 GTWCJSOZTPXCND-MFKMUULPSA-N 306.366 -0.268 30 20 DBED CCN(CCC#N)C(=O)CN1CC(NC(=O)[C@@H]2CCCO2)C1 1404705510 BKROJGNMJZQQBI-ZDUSSCGKSA-N 308.382 -0.272 30 20 DBED COc1nccc(C(=O)N(C)C[C@H](O)CNC(=O)[C@@H](C)C#N)n1 1413299812 KDZSTCUGKUOAMQ-VHSXEESVSA-N 321.337 -0.806 30 20 DBED CCCN(CCNC(=O)[C@@H](C)C#N)C(=O)c1cn(C)c(=O)n1C 1431830997 AXXGUFQSBGOPNM-NSHDSACASA-N 321.381 -0.148 30 20 DBED Cn1ncc(C(=O)NC[C@@H](O)CNCc2ccc(C#N)s2)n1 1445259578 UQJNAEOHGVXJGI-VIFPVBQESA-N 320.378 -0.371 30 20 DBED CCCN(C)CC(=O)NCCN1CCN(C(=O)[C@H](C)C#N)CC1 1446910506 URCUDUQXILLEKP-CQSZACIVSA-N 323.441 -0.252 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1C[C@H]2CC[C@@H](O)[C@H]2C1 1464515609 VNOGLSXHEWTDJN-FRRDWIJNSA-N 317.411 -0.204 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)NCc2nc3ncccn3n2)C1 1470556330 RUTDTOWIFLAGRT-CYBMUJFWSA-N 301.310 -0.316 30 20 DBED CC(C)c1nccn1CC(=O)NC[C@@H](O)CNC(=O)[C@H](C)C#N 1501526540 XPHWXYJYZMLZJI-VXGBXAGGSA-N 321.381 -0.241 30 20 DBED CCNC(=O)CN1CCOC[C@H]1CNC(=O)c1cc(C#N)c[nH]1 1501771353 YNZGDCWMOZFFJO-GFCCVEGCSA-N 319.365 -0.547 30 20 DBED N#Cc1cn(CC(=O)N[C@H]2CCCC[C@H]2C(=O)O)c(=O)nc1O 1574249037 PUQVBEOPMPMGEN-ZJUUUORDSA-N 320.305 -0.420 30 20 DBED C[C@H](CN1CCOCC1)Cn1c(N)nc(-c2nn[nH]n2)c1C#N 1574832299 RTRLSRRWCIDQEV-SECBINFHSA-N 317.357 -0.515 30 20 DBED COCC1(O)CCN(c2cnc(-c3nn[nH]n3)c(C#N)n2)CC1 1579746658 DPOFGHQEBCWGSR-UHFFFAOYSA-N 316.325 -0.494 30 20 DBED N#CCNC(=O)CNC(=O)Nc1ccc(-c2nn[nH]n2)cn1 1581858127 RQEMSRWCJQFRCI-UHFFFAOYSA-N 301.270 -0.977 30 20 DBED C#CC[C@@H](NC(=O)C1=CC=CN2CCS(=O)(=O)N=C12)C(=O)O 1588398013 AUXVZLBBNWINOT-SNVBAGLBSA-N 323.330 -0.923 30 20 DBED C=C[C@@H]1OCC[C@H]1NC(=O)C1(C(=O)O)CCS(=O)(=O)CC1 1588478884 ZOPMSKYTPXOSCS-ZJUUUORDSA-N 317.363 -0.274 30 20 DBED C#Cc1ccccc1CC(=O)N1CC(=O)N(C)C[C@@H]1C(=O)O 1588524397 IQAUFPYWDYAWEG-CYBMUJFWSA-N 300.314 -0.036 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@H](O)CNc1ncc(C(=O)O)cn1 1588683606 AIZACSBSNDIINZ-IINYFYTJSA-N 324.337 -0.609 30 20 DBED N#Cc1cn(CC(=O)O)c(=O)n(Cc2cnc(Cl)cn2)c1=O 1594633286 RIMPEYYYVUDLCO-UHFFFAOYSA-N 321.680 -0.542 30 20 DBED C#C[C@H]1COCCN1Cn1ccc(C)c(-c2nn[nH]n2)c1=O 1602696628 LDOCYIBOIHOZNK-NSHDSACASA-N 300.322 -0.372 30 20 DBED N#Cc1ncc(N[C@@H](CO)C[C@@H]2CCCO2)nc1-c1nn[nH]n1 1606398152 OOAARYNFGPZZDQ-BDAKNGLRSA-N 316.325 -0.130 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)CCCCC(=O)NC)C1 1661381653 FCSKBMRKKNTBDG-ZDUSSCGKSA-N 322.409 -0.767 30 20 DBED C#CCNC(=O)CN1CCC(N(C)C(=O)Cc2cc[nH]n2)CC1 1752297372 FWFUBQHZZFOYJR-UHFFFAOYSA-N 317.393 -0.376 30 20 DBED CC#CCN1CCCC[C@@H]1CNC(=O)CN1C(=O)CNC1=O 1752824691 CFZRFRAQGLVBME-GFCCVEGCSA-N 306.366 -0.468 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H](C)CNC(=O)CN1CCCCC1=O 1752884709 GGVNYWRKUKTQMO-STQMWFEESA-N 322.409 -0.769 30 20 DBED CC#CCNC[C@H]1CCN(C(=O)[C@H](CCC)S(N)(=O)=O)C1 1752946451 WSBVDBCJHAZWHI-OLZOCXBDSA-N 315.439 -0.095 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@@H](CNC(=O)Cn2ccnc2)C1 1753141497 YUNUHUDSOVHBOE-KBPBESRZSA-N 317.393 -0.541 30 20 DBED C#CCN[C@@H](C)C1CCN(C(=O)CCNC(=O)COC)CC1 1753275570 RVEAXLVAYYJYNB-ZDUSSCGKSA-N 309.410 -0.011 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)C[C@H]1CCN(C(=O)COCC)C1 1753346864 NWCDYIXHAPYBPG-ZIAGYGMSSA-N 309.410 -0.059 30 20 DBED C#CCNC(=O)CNC[C@@H](C)CNC(=O)c1ccnc(O)c1 1753610218 PBUWRONOEJLEEZ-LLVKDONJSA-N 304.350 -0.508 30 20 DBED C=CCN1CC[C@H](NC[C@H](CC(C)C)NC(=O)C(N)=O)C1=O 1753738044 BNZMTSRWXKQOCF-RYUDHWBXSA-N 310.398 -0.621 30 20 DBED C#CCNC(=O)[C@H](C)NCCN(CC)C(=O)Cc1cc[nH]n1 1754038496 FYTLNWJWBBJZBG-LBPRGKRZSA-N 305.382 -0.472 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C1CN([C@H]2CCN(CC)C2=O)C1 1754575701 YTWDOAOVUGXOCU-JSGCOSHPSA-N 307.394 -0.212 30 20 DBED C#CCOCCC(=O)N[C@@]1(C)CCN(CC(=O)NCC#N)C1 1754669430 BVNQFFICPPNKOC-HNNXBMFYSA-N 306.366 -0.753 30 20 DBED CC#CCNC1(CNC(=O)CCn2cncn2)CCOCC1 1754734828 VHKLTJGCOUINEF-UHFFFAOYSA-N 305.382 -0.054 30 20 DBED C#CCNC1(CNC(=O)[C@@H](OC)[C@H]2CCOC2)CCOCC1 1754738540 BJDCKUOMXKJOKP-KBPBESRZSA-N 310.394 -0.074 30 20 DBED C=CCCCN1CC[C@](O)(CNC(=O)C2CC(=O)NC(=O)C2)C1 1754761385 XNTLNOHZFHNGNV-INIZCTEOSA-N 323.393 -0.442 30 20 DBED Cc1nn(C)cc1CN1CC(O)(CNC(=O)C#CC2CC2)C1 1754767320 JMUAOTBUHCYAJU-UHFFFAOYSA-N 302.378 -0.195 30 20 DBED COCC#CCN1CCC[C@](CO)(NC(=O)c2ncccn2)C1 1754858874 LBJBVGDRJFBKIR-INIZCTEOSA-N 318.377 -0.317 30 20 DBED C#CCCN1CCC[C@@](CO)(NC(=O)c2cn(C)c(=O)n2C)C1 1754861449 MJCJDIOTLWLKOV-MRXNPFEDSA-N 320.393 -0.696 30 20 DBED C=CCCN1CCOC[C@@H]1CNC(=O)CC[C@@H]1NC(=O)NC1=O 1754974012 HZIBWFNUZDHOMR-RYUDHWBXSA-N 324.381 -0.632 30 20 DBED C=CCN(C)C[C@H]1CCCN1C(=O)CN1C(=O)CN(C)C1=O 1755201484 SDQXFLXBXAGFFK-GFCCVEGCSA-N 308.382 -0.011 30 20 DBED N#CCSCC(=O)NC1CC(CNCc2nc(O)n[nH]2)C1 1755206331 RCYMMCNMNXHSFN-UHFFFAOYSA-N 310.383 -0.249 30 20 DBED COCC#CCN[C@@H](C)[C@@H](C)NC(=O)CS(=O)(=O)C(C)C 1755267307 ALRPVYDVARIWCM-QWHCGFSZSA-N 318.439 -0.058 30 20 DBED COCC#CCN(C)C1CCN(C(=O)[C@H]2CNC(=O)N2)CC1 1755532826 YIEKHIPRIGHGHR-CYBMUJFWSA-N 308.382 -0.760 30 20 DBED C#CCNC(=O)CNC[C@@H](C1CC1)N(C)C(=O)CN1CCCC1 1755573055 LSUALNZLEYJBAC-HNNXBMFYSA-N 320.437 -0.342 30 20 DBED C[C@@H]1C[C@@H](NCC(=O)NCC#N)CN1C(=O)c1cncnc1O 1755680203 DTQDGRBJNXQRSE-NXEZZACHSA-N 318.337 -0.985 30 20 DBED CC#CCN[C@H]1CN(C(=O)CN2CCOCC2=O)CC1(C)C 1755756246 BFSAHDBTNGRYBM-ZDUSSCGKSA-N 307.394 -0.305 30 20 DBED CC(C)(C)[C@H](CNCC#N)NC(=O)CCCS(N)(=O)=O 1755830729 OLLGFFKMRCVFPE-JTQLQIEISA-N 304.416 -0.301 30 20 DBED C=CCOCC(=O)N1C[C@H]2CC[C@H]1CN2C(=O)CC(=O)NCC 1756163400 FEDLYHZFECKIQJ-OLZOCXBDSA-N 323.393 -0.083 30 20 DBED CC(C)C#CC(=O)N1C[C@H]2CC[C@H]1CN2C(=O)[C@@H]1CNC(=O)N1 1756166012 MQJNMXIZRVVIFA-XQQFMLRXSA-N 318.377 -0.471 30 20 DBED CC(C)C#CC(=O)N[C@@H](CO)CNC(=O)CCc1ncccn1 1756545594 QLDOCBPCRGURRR-CYBMUJFWSA-N 318.377 -0.338 30 20 DBED CC(C)C#CC(=O)N[C@@H](CO)CNC(=O)C1(CN(C)C)CC1 1756546230 YFTQASTZMNUHTE-CYBMUJFWSA-N 309.410 -0.419 30 20 DBED CCn1cnc(C(=O)NC[C@H](O)CN(C)C(=O)C#CC2CC2)c1 1756661541 AGRYMRWYWSLNHY-ZDUSSCGKSA-N 318.377 -0.135 30 20 DBED C=C(C)CCC(=O)N(C)C[C@@H](O)CNC(=O)CC(=O)N(C)C 1756665593 LDUGVKGXNUHEEZ-LBPRGKRZSA-N 313.398 -0.244 30 20 DBED C#CCC1(C(=O)N2C[C@@H](O)[C@H](NC(=O)C(N)=O)C2)CCCCC1 1757030690 ZKXAAGDNBQJLNO-VXGBXAGGSA-N 321.377 -0.867 30 20 DBED C=CCOCC(=O)N[C@@H]1C[C@H](NC(=O)CNC(C)=O)C12CCC2 1757044493 YQROBHVEVIUOSC-QWHCGFSZSA-N 323.393 -0.131 30 20 DBED C=CC(C)(C)CC(=O)N[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@@H]1O 1757178284 ZIGRDHQQBBJHRO-NEPJUHHUSA-N 321.381 -0.281 30 20 DBED C=CCC(=O)N1CC[C@@]2(C1)CN(C(=O)CCC(N)=O)CCO2 1783920921 AQQNOSMGNQIROA-OAHLLOKOSA-N 309.366 -0.342 30 20 DBED C#CC(=O)N1CC[C@H](CNC(=O)C(O)O)[C@@H]1c1cccnc1 1802927098 VNDCEDHNRQAZFX-YPMHNXCESA-N 303.318 -0.969 30 20 DBED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)C(OC)OC)C2 1841598423 IUJLHWCULACHGU-GFCCVEGCSA-N 324.377 -0.153 30 20 DBED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)[C@@H]2CC2(F)F)C1 1843854744 BUIDRSGOSAPFCC-VIFPVBQESA-N 312.272 -0.067 30 20 DBED Cc1nnc(SCC(=O)N(CCC#N)CCC#N)n(N)c1=O 22530026 GAQXRJQHKOUSEL-UHFFFAOYSA-N 321.366 -0.591 30 20 DBED CCc1noc([C@@H](C)N2CCN(CC(=O)NCC#N)CC2)n1 108867604 KPUFQPQMIRXWRH-LLVKDONJSA-N 306.370 -0.050 30 20 DBED C=CCNC(=O)NC(=O)CN1CC[C@H](CN2CCOCC2)C1 129508853 JLAIQDITQNDYEM-CYBMUJFWSA-N 310.398 -0.348 30 20 DBED C#CCC(C)(C)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 186149287 QFOUGBKZTYJIEB-UHFFFAOYSA-N 304.354 -0.607 30 20 DBED CN1CN(C(=O)C/N=C(/O)c2ccc3c(c2)OCO3)CC1=O 329455205 ODGIMEDOYQGKNI-UHFFFAOYSA-N 305.290 -0.022 30 20 DBED C[C@H](CN1CCCC1=O)N/C(O)=N/CC1(O)CCN(C)CC1 329544531 YVUIXUFIVYXKIW-GFCCVEGCSA-N 312.414 -0.042 30 20 DBED O=C(CC/N=C(/O)N1CCn2cncc2C1)N1CCOCC1 329622969 SASNBIUIHQKGGS-UHFFFAOYSA-N 307.354 -0.138 30 20 DBED Cc1noc([C@H]2C[C@@H](O)CN2/C(O)=N/[C@H]2CC(=O)N(C)C2)n1 329912252 OFXLWEWMRPOWBT-IVZWLZJFSA-N 309.326 -0.370 30 20 DBED C[C@H](O)C[C@H]1COCCN1C(=O)CNc1ccc(C#N)cn1 330992644 SQWNIJRLVJBTIL-AAEUAGOBSA-N 304.350 0.363 30 20 DBED N#Cc1ncn(CC(=O)N2CCN(Cc3cccnc3)CC2)n1 332306734 MXPDFJPYEMKRSU-UHFFFAOYSA-N 311.349 -0.111 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H](C)CS(C)(=O)=O 332450599 GMRPKNVWVTVKDF-NXEZZACHSA-N 311.429 -0.265 30 20 DBED C[C@@H]1CN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CC(C)(C)O1 336913119 JWIGBFGVERBVKC-MNOVXSKESA-N 303.384 -0.045 30 20 DBED C[C@H]1CCC[C@@H]1NS(=O)(=O)CCCS(=O)(=O)NCC#N 349611862 IBFDWDFIFPEMCR-QWRGUYRKSA-N 323.440 -0.073 30 20 DBED CN(C)Cc1ccc(S(=O)(=O)NCC(=O)NCC#N)cc1 352510784 JXEKGMZCRJBVSY-UHFFFAOYSA-N 310.379 -0.334 30 20 DBED CN(C[C@@H](O)CO)C(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 354162830 XDRDMKFRJPVTNJ-SNVBAGLBSA-N 311.725 -0.038 30 20 DBED COC(=O)C[C@]1(NS(=O)(=O)N(C)CCC#N)CCOC1 361975956 YXUJUJYXLDWEKL-LLVKDONJSA-N 305.356 -0.612 30 20 DBED COCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N(C)CCN 423248040 MFYYHFCRXLZUOX-UHFFFAOYSA-N 318.377 -0.050 30 20 DBED C=CCCCS(=O)(=O)N1Cc2nnc(O)n2C[C@@H]1C(=O)O 424392986 QOEBRSHRMHQHCE-MRVPVSSYSA-N 316.339 -0.452 30 20 DBED CNS(=O)(=O)c1cccc(NC(=O)C(=O)NCCC#N)c1C 427896422 VLOMAWNHMQQVQF-UHFFFAOYSA-N 324.362 -0.129 30 20 DBED C#CCN1CCN(C(=O)Cn2cc(C(=O)OC)nc2C)CC1 490830866 NIKJHBVOTNQRMZ-UHFFFAOYSA-N 304.350 -0.244 30 20 DBED C#CCNS(=O)(=O)CCCS(=O)(=O)Nc1ccnnc1 491730926 JYQZOTPWVSEDIQ-UHFFFAOYSA-N 318.380 -0.839 30 20 DBED CN1C(=O)C[C@@H](NS(=O)(=O)c2ccc(C#N)cc2F)C1=O 561553177 KBMAXOYAUSJDAO-SECBINFHSA-N 311.294 -0.267 30 20 DBED Cc1cc(O)cc(=O)n1CC(=O)NC1(C#N)CCN(C)CC1 577798693 RKFJQLHSQMJJSI-UHFFFAOYSA-N 304.350 -0.034 30 20 DBED COC(=O)CN(CCN1CCOCC1)c1cncc(C#N)n1 583378162 JZHIJSRPCZYTLS-UHFFFAOYSA-N 305.338 -0.340 30 20 DBED C[C@@H](C#N)CN(C)C(=O)C(=O)N(CCOCCO)C1CCC1 595200320 VNSCBBWXJLKNNT-LBPRGKRZSA-N 311.382 -0.006 30 20 DBED CC[C@]1(C)NC(=O)N(CC(=O)NC2CCN(CC#N)CC2)C1=O 609328459 GFZANYLRXCBKTF-HNNXBMFYSA-N 321.381 -0.189 30 20 DBED CN(C)S(=O)(=O)c1ccc2c(c1)CCN2CC(=O)NCC#N 731210548 QSSXLRDUDKYJDV-UHFFFAOYSA-N 322.390 -0.061 30 20 DBED C#CCOCCNC(=O)c1cnc2c(c1)c(O)nc(=O)n2C 753230094 HCJZAWRJNZNKJV-UHFFFAOYSA-N 302.290 -0.586 30 20 DBED C#CCOCCc1nc(CCN2CCN(CC)C(=O)C2=O)no1 763311149 IRMPLWVUWLLCAF-UHFFFAOYSA-N 320.349 -0.505 30 20 DBED C#CCNS(=O)(=O)N1CCN(Cc2ncccc2C)CC1 772281627 JFEXSHBFAUWFMC-UHFFFAOYSA-N 308.407 -0.025 30 20 DBED Cn1cc(C=NNc2cc(Cl)nc(N)n2)c(=O)n(C)c1=O 778543411 MISUPGSGLYGNJI-UHFFFAOYSA-N 309.717 -0.444 30 20 DBED COC[C@@H](C#N)OC(=O)CNS(=O)(=O)CCOC(C)C 785353571 DPPUWSCFRXGWDB-SNVBAGLBSA-N 308.356 -0.587 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)C1(S(C)(=O)=O)CC1 795877128 VSAOPNWFDUDXOB-QMMMGPOBSA-N 318.351 -0.493 30 20 DBED N#Cc1ncn(CCNC(=O)NC[C@H]2CN3CCC[C@H]3CO2)n1 805075449 XSVGOTRLWSKXNZ-RYUDHWBXSA-N 319.369 -0.688 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@@H]1CCOC[C@H]1OCC)[C@H]1CCCO1 807131431 SFKKTCUUIKVLQO-REWJHTLYSA-N 324.377 -0.406 30 20 DBED C#CCCS(=O)(=O)NC[C@H]1CCC[C@@]12NC(=O)N(C)C2=O 808299829 RBJXKMFUNQTAOS-ZWNOBZJWSA-N 313.379 -0.350 30 20 DBED Cn1cc(-c2nn[nH]n2)c(=O)n(Cc2ccc(CC#N)cc2)c1=O 826356803 GKNXFHGFIKJBHZ-UHFFFAOYSA-N 323.316 -0.159 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@@H](OCCN2CCOCC2)C1 826928838 KCAGVNBEKTUKSZ-HUUCEWRRSA-N 310.394 -0.026 30 20 DBED C[C@H](C(=O)N(C)CC(=O)N[C@H]1CNC[C@@H]1C#N)n1cccn1 844194151 AHKYHTSYSAWKEG-WOPDTQHZSA-N 304.354 -0.870 30 20 DBED Cc1c(C(=O)N[C@H]2CCCN(O)C2=O)nnn1-c1ccn(C)n1 848131398 FHVJDTYSGBBTPJ-VIFPVBQESA-N 319.325 -0.581 30 20 DBED C#Cc1cncc(C(=O)N[C@H]2CCN(C(=O)Cn3nccn3)C2)c1 938703593 JEVOWTOMRXGBNR-AWEZNQCLSA-N 324.344 -0.315 30 20 DBED Cn1nnc(C(=O)N[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)n1 942191981 LGWHCFKUNXLAEB-SECBINFHSA-N 314.309 -0.946 30 20 DBED Cc1c(C(=O)NC[C@@H]2CN(C(=O)[C@H](C)C#N)CCO2)nnn1C 944531693 XHUZVKWNJXBUGJ-MWLCHTKSSA-N 320.353 -0.760 30 20 DBED C[C@H](C#N)C(=O)N1CCC(NC(=O)[C@@H]2CCC(=O)NC2)CC1 948110209 UGYRLASOCVADRE-GHMZBOCLSA-N 306.366 -0.221 30 20 DBED Cn1cnc(C(=O)N2CC[C@H]2CNC(=O)c2cc(C#N)c[nH]2)n1 949282946 CMYBTYXMXQKTHX-JTQLQIEISA-N 313.321 -0.341 30 20 DBED CN1C(=O)CC[C@@H]1C(=O)NC[C@H]1CCN1C(=O)C#CC1CC1 951704088 NRNDMFPHQALTSQ-CHWSQXEVSA-N 303.362 -0.262 30 20 DBED C#CCCN1C[C@H](CNC(=O)c2nnn(C(C)(C)C)n2)[C@@H](O)C1 958077359 TVXZKFOPKFVCMF-RYUDHWBXSA-N 320.397 -0.526 30 20 DBED N#CCN1C[C@@H](O)[C@H](CNC(=O)c2ccn(CC(F)F)n2)C1 958164118 ILHFQEDQIPGTBF-MWLCHTKSSA-N 313.308 -0.306 30 20 DBED CC#CCN1C[C@@H](O)[C@H](CNC(=O)c2cn(C)ccc2=O)C1 958249118 RWYODMQYFNIOEJ-IUODEOHRSA-N 303.362 -0.569 30 20 DBED C#CCN1C[C@H](CNC(=O)c2cnn3cc(C)cnc23)[C@@H](O)C1 958445822 ZHQOGCKQDMSLMC-JSGCOSHPSA-N 313.361 -0.307 30 20 DBED C#CCCN1C[C@H](CNC(=O)c2c(C)nn(C)c2OC)[C@@H](O)C1 958450148 YPZLYUBDHZRYGM-STQMWFEESA-N 320.393 -0.217 30 20 DBED CCCn1nc(C(=O)NC[C@H]2CN(CC#N)C[C@H]2O)ccc1=O 958662414 SLLPKYCQPHBBEV-WCQYABFASA-N 319.365 -0.801 30 20 DBED C#CCN1C[C@H]2[C@H](NC(=O)c3cnc4c(c3)NC(=O)CO4)[C@H]2C1 960824700 IDOGMJLMRLOQIJ-YABSGUDNSA-N 312.329 -0.294 30 20 DBED CCN1CCN(S(=O)(=O)C2CN(C(=O)[C@@H](C)C#N)C2)CC1 961067979 RRLNKPMQBYHXQE-NSHDSACASA-N 314.411 -0.676 30 20 DBED CC#CCN1C[C@H]2[C@H](NC(=O)Cc3c(C)nc(O)nc3O)[C@H]2C1 962132470 RFXIBOYQASEMOL-IMRBUKKESA-N 316.361 -0.192 30 20 DBED N#CCN1CCO[C@]2(CCN(C(=O)CN3CCCC3=O)C2)C1 972248008 HPUJDWCRBARQAT-OAHLLOKOSA-N 306.366 -0.564 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)C(C)(C)C(N)=O)[C@@H]2C1 972657142 RHPBEKHQVOFMGX-HBNTYKKESA-N 306.366 -0.283 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)C[C@H]3COC(=O)C3)[C@H]2C1 976372228 XMXOHLPZSLHIBE-ZRDGONRFSA-N 305.334 -0.328 30 20 DBED C#CCCN1C[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C(C)(C)C1 977606352 VEIWHZYAEOJITI-NEPJUHHUSA-N 313.423 -0.472 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCN(C(=O)C(N)=O)CC2)C[C@H]1C 982263849 KLIUDNHFPLKZAW-WDEREUQCSA-N 306.366 -0.139 30 20 DBED C[C@@H]1[C@@H](NCC#N)CCN1C(=O)c1ccc(-n2cnnn2)cn1 986604247 XGKBQHCIKYZAKJ-PWSUYJOCSA-N 312.337 -0.227 30 20 DBED C=C(C)CN[C@H]1C[C@H](C)N(C(=O)Cn2ccc(=O)n(C)c2=O)C1 988927074 JUEGDHLNJFOUME-STQMWFEESA-N 320.393 -0.298 30 20 DBED C=CCn1cc(C(=O)N2CC(NC(=O)c3cc(C)[nH]n3)C2)nn1 990369079 POHPTBZKBXMQIR-UHFFFAOYSA-N 315.337 -0.250 30 20 DBED COCC(=O)N1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H](O)C1 991405071 UFFIRVOIFNGNAT-JQWIXIFHSA-N 306.322 -0.776 30 20 DBED C[C@@H]1CCCN(C(=O)C(=O)NC2CN(C(=O)[C@H](C)C#N)C2)C1 991636810 UGPGLQMKYCDXFU-GHMZBOCLSA-N 306.366 -0.268 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(NC(=O)c2cnon2)C1 998239884 QDNLHDZWCVVIBT-JQWIXIFHSA-N 306.322 -0.009 30 20 DBED CN(C(=O)CN1C(=O)NC(=O)C1(C)C)C1CC(NCC#N)C1 999647966 VKHIQPOJVUNCAB-UHFFFAOYSA-N 307.354 -0.581 30 20 DBED CCN1CCOC[C@@H]1C(=O)NCC1CN(C(=O)[C@@H](C)C#N)C1 1002971154 JCPLKKVBFZNCGH-WCQYABFASA-N 308.382 -0.559 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](NC(=O)C(N)=O)C(C)(C)C1 1008528651 RFMGQSXTLPVGDA-GRYCIOLGSA-N 323.393 -0.194 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2CCN(Cc3nc(O)n[nH]3)C2)[nH]1 1010645222 RTSGYKWNEBMJFM-VIFPVBQESA-N 301.310 -0.286 30 20 DBED N#Cc1cc(C(=O)NC2[C@@H]3CN(C(=O)c4nc[nH]n4)C[C@@H]23)c[nH]1 1012982821 PHKNWIYNBJWDPC-NXEZZACHSA-N 311.305 -0.495 30 20 DBED C[C@H]1[C@H](NC(=O)c2ccc(C#N)[nH]2)CCCN1C(=O)CC(N)=O 1014878955 QGQOROZGFCZIDS-GXSJLCMTSA-N 317.349 -0.129 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2CCN(Cc3nnn(C)n3)C2)nc1 1016025697 ZYTRLTFFRZRBCP-LBPRGKRZSA-N 311.349 -0.409 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]2CN(C(=O)c3cnnn3C)C[C@H]21 1022564361 IWHJATDIJZZWFY-JBLDHEPKSA-N 302.338 -0.352 30 20 DBED C=CCN1CC[C@@H](N[C@H]2C[C@@H](NC(=O)[C@@H]3[C@H]4COC[C@H]43)C2)C1=O 1022572229 QVIDFZZYKDTMGT-DXUDUQDWSA-N 319.405 -0.098 30 20 DBED C=CCCn1cc(C(=O)N[C@H]2C[C@@H](N[C@@H]3CCNC3=O)C2)nn1 1022836010 QDGGMYDCHATCNA-GRYCIOLGSA-N 318.381 -0.407 30 20 DBED CC[C@H](OC)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 1023455249 QDLGQWTVJXESPC-UPJWGTAASA-N 320.349 -0.387 30 20 DBED CCc1oncc1C(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1023743445 IWYPJKQCEPQTIT-CHWSQXEVSA-N 317.345 -0.048 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2nonc2C)C1 1024429757 XUPFCBFNCQHVKO-NXEZZACHSA-N 308.338 -0.108 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCC(=O)N2)C1 1024594627 NDUITKHRSXGUTH-IJLUTSLNSA-N 323.393 -0.445 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2O)cn1 1024928143 QXWHWRCYXKEEDY-HZPDHXFCSA-N 323.352 -0.222 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN(Cc2cnsn2)C1 1030461934 CUSNEQCLKAZGPN-ZDUSSCGKSA-N 305.407 -0.064 30 20 DBED C#CCN1CCC(C(=O)NC2CN(Cc3cnnn3C)C2)CC1 1031436172 WGQHFYSDNIJXCL-UHFFFAOYSA-N 316.409 -0.539 30 20 DBED C#CCCN1CC(CNC(=O)[C@@H]2CCc3nnnn3CC2)C1 1031993146 YJRHFWWKORUPRK-CYBMUJFWSA-N 302.382 -0.303 30 20 DBED C#CCN1CC[C@H](N(C)C(=O)Cc2ccc(C(N)=O)nc2)C1 1033194514 LHBQHXQACFFXRK-ZDUSSCGKSA-N 300.362 -0.111 30 20 DBED C#CCCN1CCCC[C@@H](NC(=O)CN2CCNC(=O)C2)C1 1034341317 BMNLNNISRQUHNH-CQSZACIVSA-N 306.410 -0.588 30 20 DBED CC#CCN1CCO[C@H](CNC(=O)[C@H]2CCN(C)C(=O)C2)C1 1035421410 ZOCTWHIONHGURX-UONOGXRCSA-N 307.394 -0.305 30 20 DBED N#CCN1CC2(CCN(C(=O)C[C@@H]3CC(=O)NC3=O)CC2)C1 1035863055 VFUJNFZPJYSERS-NSHDSACASA-N 304.350 -0.513 30 20 DBED Cc1cn2nc(C(=O)N[C@H]3[C@H]4C[C@H]3N(CC#N)C4)cc2c(=O)[nH]1 1037519332 ZLSBJNPJFGBJDF-NDMJEZRESA-N 312.333 -0.343 30 20 DBED C#CCNC1C[C@@H]2CCC[C@H](C1)N2C(=O)CN1CC(=O)NC1=O 1039303421 VAZYASSSRHIGNZ-YHWZYXNKSA-N 318.377 -0.327 30 20 DBED CC(C)C#CC(=O)NC[C@@]1(O)CCN(C(=O)c2nc[nH]n2)C1 1039665052 CWZYDMHYLBMYIB-AWEZNQCLSA-N 305.338 -0.843 30 20 DBED COC[C@H](OC)C(=O)N1CC[C@](O)(CNC(=O)C#CC2CC2)C1 1039680405 FNZDGXUBIMWHJQ-BBRMVZONSA-N 324.377 -0.859 30 20 DBED O=C(C#CC1CC1)NC[C@]1(O)CCN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1039686087 WUJPANGHNRQSHL-RPCCPQHDSA-N 318.373 -0.628 30 20 DBED C[C@H]1CN(C(=O)C(N)=O)CC[C@H]1CN=c1cc[nH]cc1C#N 1040439576 AAAGSFZHLIPZEE-QWRGUYRKSA-N 301.350 -0.243 30 20 DBED O=C(NC[C@]1(O)CCN(C(=O)C#CC2CC2)C1)[C@@H]1CCOC1 1040791150 QYZJWGOCRQDLQZ-CZUORRHYSA-N 306.362 -0.484 30 20 DBED N#Cc1nccc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCCO3)C2)n1 1040897791 FWLFJDRJFYVUCJ-MXWKQRLJSA-N 303.322 -0.807 30 20 DBED N#Cc1cnc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC3(F)F)C2)cn1 1041011255 AZYKYEPVBXOORJ-OPRDCNLKSA-N 309.276 -0.331 30 20 DBED CC(C)(C)C#CC(=O)N1CC(O)(CNC(=O)[C@H]2CCCO2)C1 1041350848 SVHPVKKEWHNWSE-GFCCVEGCSA-N 308.378 -0.096 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(c2ncccn2)C[C@H]1O 1041415856 HRBCPVNBSPIWIE-HZSPNIEDSA-N 315.377 -0.760 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)COC(C)C)C1 1041841311 XJXOJAPCSGPOIW-UHFFFAOYSA-N 300.355 -0.697 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)C2=CCOCC2)C1 1042040209 QNGDEOIVXYXHRF-UHFFFAOYSA-N 310.350 -0.775 30 20 DBED N#Cc1cc(C(=O)NCC2(O)CN(C(=O)c3ccc[nH]3)C2)c[nH]1 1042666656 GXALGTHGEJLRGW-UHFFFAOYSA-N 313.317 -0.169 30 20 DBED C=CCC(C)(C)C(=O)NCC1(O)CN(C(=O)c2nnn(C)n2)C1 1043061555 IYQDNTWNYAVAPK-UHFFFAOYSA-N 322.369 -0.885 30 20 DBED C#CCN1CC(N(C)C(=O)[C@@H]2COCCN2CC(F)F)C1 1043475085 WJBOMMZROWTSNA-LBPRGKRZSA-N 301.337 -0.272 30 20 DBED C=CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)c2[nH]cnc2C)C1 1043822383 DKAABVTUEPBENK-LLVKDONJSA-N 322.365 -0.388 30 20 DBED COc1ccnc(C(=O)NCC2(O)CN(C(=O)[C@H](C)C#N)C2)c1 1044370150 AJIRRKUHIVYHSC-SNVBAGLBSA-N 318.333 -0.447 30 20 DBED C=C[C@](C)(CC)C(=O)N1CC(O)(CNC(=O)c2cnon2)C1 1045188504 VXYRXAHSDPHMPO-CYBMUJFWSA-N 308.338 -0.025 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)CCCN(C)C)C1 1045413672 VWOVSERBRLUEDD-UHFFFAOYSA-N 309.410 -0.323 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)[C@H]2CCCCN2C)C1 1045565454 XPVYKEYYMMRVBN-VXGBXAGGSA-N 308.382 -0.680 30 20 DBED C=CCN1CC[C@@H](N2CCN(C(=O)C(C)(C)C(N)=O)CC2)C1 1046037694 WKTQUBSZXUUSER-CYBMUJFWSA-N 308.426 -0.098 30 20 DBED C=C(C)CN1C[C@H](O)[C@@H](N(C)C(=O)C2CCN(C(N)=O)CC2)C1 1047620494 AOKKELGMNBKGRW-KBPBESRZSA-N 324.425 -0.143 30 20 DBED C=CCCC(=O)N(C)[C@H]1CN(C(=O)c2ccc(O)nn2)C[C@@H]1O 1048506951 YCOUNOWYQROPSL-RYUDHWBXSA-N 320.349 -0.208 30 20 DBED CCN(CC)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C#CC2CC2)C1 1048824477 BBPMIZMTCZQVBA-GJZGRUSLSA-N 321.421 -0.228 30 20 DBED Cc1nccn1CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)C#N)C1 1049402586 VICLBZBNBVEFHU-DRZSPHRISA-N 319.365 -0.619 30 20 DBED C=CCN1CCC2(CC1)CN(C(=O)CN1CC(=O)NC1=O)C2 1050701823 RKPIEVRIFNGNCJ-UHFFFAOYSA-N 306.366 -0.351 30 20 DBED Cc1nnc(O)c(C(=O)NC[C@@H]2COCCN2CC#N)c1C 1051058864 WEPLQAXWTOSJCL-LLVKDONJSA-N 305.338 -0.247 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)C1CCS(=O)(=O)CC1 1051144614 UQSOMDCVRHAHJG-ZDUSSCGKSA-N 314.407 -0.739 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)[C@H](C)[C@@H]1CCC(=O)N1)CCO2 1053442643 NETOLOLYPWRFCL-KGLIPLIRSA-N 319.405 -0.162 30 20 DBED C#CCN1CC2(CC[C@H](CNC(=O)[C@H]3CCCC(=O)N3)O2)C1 1053614324 JDYLJZSZLLNYIK-CHWSQXEVSA-N 305.378 -0.362 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)Cc3cnn(C)c3C)CO2)C1 1053824468 ZZQQZUDXPPNXQX-AWEZNQCLSA-N 302.378 -0.136 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)[C@H]3CCCC(=O)N3)CO2)C1 1053842812 WSWIFDPUROQQDV-CHWSQXEVSA-N 305.378 -0.362 30 20 DBED C=CCN1CC2(C[C@@H](NC(=O)c3cn(C)c(=O)cn3)CO2)C1 1053874776 JBARVSSMLOFZJU-LLVKDONJSA-N 304.350 -0.461 30 20 DBED CC(=O)N1CCC(C(=O)N[C@@H]2COC3(C2)CN(CC#N)C3)CC1 1054003786 ASXYLQRMODKRMS-AWEZNQCLSA-N 320.393 -0.272 30 20 DBED CC(C)C#CC(=O)N[C@]1(CO)CCCN(C(=O)c2cnn[nH]2)C1 1055934256 AOCKNLQMOFESTN-OAHLLOKOSA-N 319.365 -0.453 30 20 DBED CCCN(C)CC(=O)N1CCC[C@@](CO)(NC(=O)[C@@H](C)C#N)C1 1056096838 KTEPJYZXFBIBBV-XJKSGUPXSA-N 324.425 -0.042 30 20 DBED CN(c1nccnc1C#N)[C@H]1CCN(C(=O)Cn2nccn2)C1 1056972641 NMSZKXXDPVHKFJ-NSHDSACASA-N 312.337 -0.323 30 20 DBED N#CCSCC(=O)NCCN(CCO)C(=O)c1cc[nH]n1 1057045150 PMKOUVDPXNQXOF-UHFFFAOYSA-N 311.367 -0.783 30 20 DBED O=C(CCn1ccnc1)NCCN(CCO)C(=O)C#CC1CC1 1057538213 XLMALVBRCCTJRL-UHFFFAOYSA-N 318.377 -0.376 30 20 DBED Cc1ncn(C)c1C(=O)N(CCO)CCNC(=O)C#CC(C)C 1057882386 NLHUKLSUZHNWLY-UHFFFAOYSA-N 320.393 -0.061 30 20 DBED N#Cc1nccnc1N1CCC(NC(=O)Cn2ncnn2)CC1 1057903096 RGNFHHFOCFOMPH-UHFFFAOYSA-N 313.325 -0.880 30 20 DBED C=CCCOCC(=O)N(CCO)CCNC(=O)c1cc(C)[nH]n1 1057918941 GEUJDGCSIWXUMO-UHFFFAOYSA-N 324.381 -0.138 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)CN1CCCCC1=O 1058060047 JGZWMXJHVPZQIX-GFCCVEGCSA-N 324.381 -0.904 30 20 DBED C[C@]1(C(=O)N[C@@H]2CCN(c3ccnc(C#N)n3)C2)CCNC1=O 1058541623 PIHMREUEJIHIBJ-BMIGLBTASA-N 314.349 -0.431 30 20 DBED CCOc1nc(C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N)co1 1058652783 FFHXGZWATRDXRO-JTQLQIEISA-N 324.337 -0.216 30 20 DBED C[C@H]1CN(C)C[C@@H]1C(=O)N(CCO)CCNC(=O)C#CC1CC1 1058849272 QGSWJIOMEXWDGV-ZFWWWQNUSA-N 321.421 -0.465 30 20 DBED Cn1cc(C(=O)N2CC[C@H](N=c3cc[nH]cc3C#N)C2)ncc1=O 1059129173 AFJADYPWHPCDLV-LBPRGKRZSA-N 324.344 -0.205 30 20 DBED NC(=O)NCC(=O)NCC[C@@H]1CCN(C(=O)C#CC2CC2)C1 1059620915 LMRKREAILGKEFW-GFCCVEGCSA-N 306.366 -0.577 30 20 DBED N#Cc1nc(=N[C@H]2C[C@@H](NC(=O)c3cncnc3O)C2)cc[nH]1 1059750582 QXFLWLWECGKNTA-DTORHVGOSA-N 311.305 -0.361 30 20 DBED CS(=O)(=O)CC(=O)N1CC[C@H](CNc2cnc(C#N)cn2)C1 1060810093 ROVFCQQHONTJJE-SNVBAGLBSA-N 323.378 -0.347 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)Cc1cc[nH]n1 1061458914 TXAVPVYXWJIXSC-ZYHUDNBSSA-N 305.338 -0.545 30 20 DBED CC(C)C#CC(=O)N1CCCC[C@@H]1CNC(=O)[C@@H]1CNC(=O)N1 1062198462 MCFVFOSQXBOKHT-OLZOCXBDSA-N 320.393 -0.176 30 20 DBED C[C@@H](C#N)C(=O)N1CCCC[C@@H]1CNC(=O)Cn1nccn1 1062333546 VURJYDFSDSINLB-NWDGAFQWSA-N 304.354 -0.065 30 20 DBED N#Cc1cnccc1N1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1COC(=O)N1 1062481095 FTMYBCBBROTHMY-SDDRHHMPSA-N 313.317 -0.149 30 20 DBED CNC(=O)NCCC(=O)NCC1(NC(=O)[C@H](C)C#N)CCC1 1062931447 SLSFQCMGVIVNBQ-SNVBAGLBSA-N 309.370 -0.380 30 20 DBED Cn1cnc(C(=O)N2CCC[C@H]2CN=c2cc[nH]c(C#N)n2)n1 1064905682 MDQNGHLODGLCTJ-JTQLQIEISA-N 312.337 -0.385 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(C(=O)[C@H]2CCC(=O)N2)CCO1 1064973839 FXHHOWDTGUZUDP-QWHCGFSZSA-N 319.361 -0.978 30 20 DBED C=C[C@@](C)(CC)C(=O)NC[C@@H]1CN(C(=O)CC(N)=O)CCO1 1064999546 YMKRBKQTFXRJRR-ABAIWWIYSA-N 311.382 -0.192 30 20 DBED COc1cc(C(=O)N2CCO[C@H](CNC(=O)[C@H](C)C#N)C2)on1 1065067779 PEPYGQFBJUUSPQ-NXEZZACHSA-N 322.321 -0.200 30 20 DBED C[C@]1(NC(=O)[C@@H]2CCC(=O)N2)CCN(c2nccnc2C#N)C1 1065268853 IHCGAUZIQNSPNE-BONVTDFDSA-N 314.349 -0.288 30 20 DBED C=CCC1(C(=O)N2CCO[C@@H](CNC(=O)CC(N)=O)C2)CCC1 1065581231 BVHQKUQBDSULFM-LBPRGKRZSA-N 323.393 -0.048 30 20 DBED N#CCSCC(=O)N1CCC[C@@H](NC(=O)CC(N)=O)CC1 1066008766 RXNKFQZPSPAJRP-SNVBAGLBSA-N 312.395 -0.384 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCCN(C(=O)[C@H](C)C#N)CC1 1066068341 HMWOYYFDFOODLC-CHWSQXEVSA-N 318.377 -0.217 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CCCN(C(=O)c2nc[nH]n2)CC1 1066173937 XZNFGDPJHNEOLL-VXGBXAGGSA-N 319.365 -0.046 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CCCN(C(=O)Cn2cnnn2)CC1 1066476209 WWPFFTHCKAKWOQ-GHMZBOCLSA-N 305.342 -0.670 30 20 DBED C[C@H]1CN(C(=O)Cn2ncnn2)C[C@H]1Nc1cncc(C#N)n1 1067149454 TZNYNJZOPXIRMI-GXSJLCMTSA-N 313.325 -0.706 30 20 DBED N#Cc1ccc(N2C[C@H](CNC(=O)c3cccnn3)[C@@H](O)C2)cn1 1067677765 JMGHCTZCUHQBKT-NHYWBVRUSA-N 324.344 -0.030 30 20 DBED C=C(C)C[C@@H](C)C(=O)N1CC2(CN(C(=O)CC(N)=O)CCO2)C1 1068363691 QXLQJEGTWBUFCY-GFCCVEGCSA-N 323.393 -0.096 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1COC2(C1)CN(C(=O)c1ccnn1C)C2 1069002298 DGCDQHOZLXECPM-WDEREUQCSA-N 317.349 -0.321 30 20 DBED CC#CCN1CCn2ncc(CNC(=O)[C@@H]3CCC(=O)N3)c2C1 1069881560 LLUNOPNUPXVOSG-ZDUSSCGKSA-N 315.377 -0.383 30 20 DBED CN1CC[C@H](C(=O)NCc2cnn3c2CN(CC#N)CC3)C1 1069882359 DXVJMOMNZANNAH-LBPRGKRZSA-N 302.382 -0.210 30 20 DBED C#CCOCCC(=O)NCC1(NC(=O)COC)CCOCC1 1069942494 CVKJXPRUQNRULJ-UHFFFAOYSA-N 312.366 -0.546 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1CCCN(C(=O)[C@H]2CNC(=O)N2)C1 1071207974 RMFGFYVBTVUONL-GHMZBOCLSA-N 308.382 -0.013 30 20 DBED C#CCN1CCN([C@H]2CCCN(C(=O)[C@H](C)OC)C2)C(=O)C1 1071256932 MHTYVSNJZRJCMX-KBPBESRZSA-N 307.394 -0.210 30 20 DBED C[C@@H]1CN(C(=O)Cn2nccn2)C[C@@H]1NC(=O)CSCC#N 1072183502 JVMUNCPOGMSJRL-MNOVXSKESA-N 322.394 -0.502 30 20 DBED CC#CCN1CCCO[C@H](CNC(=O)c2nnc(O)nc2O)C1 1073680360 ZUWZEVJGAFSIIH-SNVBAGLBSA-N 321.337 -0.873 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(C(=O)c2cnnn2C)C[C@H]1C 1073819691 HYLNAURGBGIQAO-NEPJUHHUSA-N 321.381 -0.016 30 20 DBED C#CCCCC(=O)N1CC[C@H](NC(=O)Cn2ncnn2)[C@@H](C)C1 1073977301 MYICCPSWMPBPNS-STQMWFEESA-N 318.381 -0.170 30 20 DBED C=CCN1CC[C@H](N(C)C[C@H]2CCCCN2C(=O)C(N)=O)C1=O 1074059049 UMEYEKFYUCMJKL-OLZOCXBDSA-N 322.409 -0.429 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)c3cnnc(O)c3)C[C@@H]21 1074270047 AOPCXUABYOWTDN-STQMWFEESA-N 302.334 -0.269 30 20 DBED Cc1nc[nH]c1C(=O)N1CCC(O)(CNC(=O)[C@@H](C)C#N)CC1 1074638411 NMNPCUGELWXRRD-JTQLQIEISA-N 319.365 -0.039 30 20 DBED COC[C@@H](C)C(=O)NCC1(O)CCN(C(=O)[C@H](C)C#N)CC1 1074705784 ZDFXASIQWDLZEU-VXGBXAGGSA-N 311.382 -0.102 30 20 DBED C[C@H](C#N)C(=O)N1CCC(O)(CNC(=O)c2n[nH]cc2F)CC1 1074706833 PRYYNNSESXAUQV-SECBINFHSA-N 323.328 -0.208 30 20 DBED C[C@@H](CCNC(=O)[C@@H]1COCCO1)NC(=O)CSCC#N 1075696999 ARNNFNHXDDWYBJ-QWRGUYRKSA-N 315.395 -0.330 30 20 DBED C[C@@H](CCNC(=O)c1ccc(C#N)[nH]1)NC(=O)[C@H]1C[C@H]1C(N)=O 1076183193 ORQLPFIHPUYFHU-GDPRMGEGSA-N 317.349 -0.368 30 20 DBED Cc1cc2ncc(C(=O)N[C@@H]3CN(CC#N)C[C@H]3O)c(C)n2n1 1077479208 XPNLETGAFDXFHO-CHWSQXEVSA-N 314.349 -0.355 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(Cc2cnon2)C[C@H]1O 1077699157 UTYLYOIUHSHZKP-LPWJVIDDSA-N 308.338 -0.678 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)c2ccnc(N(C)C)c2)C1 1077769228 WDFGUMNAWJKIRH-ZIAGYGMSSA-N 302.378 -0.054 30 20 DBED C#CCOCCC(=O)N[C@@H](C)CCNC(=O)C1(C(N)=O)CC1 1078112661 CLXDQEMBBKSCJS-NSHDSACASA-N 309.366 -0.697 30 20 DBED C[C@@H](CCNC(=O)[C@H](C)C#N)NC(=O)CCS(C)(=O)=O 1078140661 TUOXFAXMEVKHEL-ZJUUUORDSA-N 303.384 -0.408 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)C[C@@H]2C(=O)Nc3ccccc32)C1 1078267058 RAVQGDIXJQNZIM-NWANDNLSSA-N 313.357 -0.093 30 20 DBED C#CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)[C@@H](C)NC(C)=O)C1 1079770872 OAOKCWAZOZZNHK-VXGBXAGGSA-N 323.393 -0.391 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@H](CNC(=O)C(C)(F)F)C1 1081184669 XOOZTOLMRBNVCR-ZJUUUORDSA-N 306.309 -0.220 30 20 DBED Cc1cc(C(=O)N2C[C@H](O)[C@H](CNC(=O)C#CC3CC3)C2)on1 1081468034 FFFAXZBZLQYQLR-OLZOCXBDSA-N 317.345 -0.054 30 20 DBED CCCOCC(=O)N1C[C@H](O)[C@H](CNC(=O)C#CC2CC2)C1 1081471384 MLRLDLJTWOKWEB-KGLIPLIRSA-N 308.378 -0.238 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CCCCN1C(=O)C1(NC(N)=O)CC1 1082014891 SMEFXQDCPAASLK-QWRGUYRKSA-N 321.381 -0.156 30 20 DBED C[C@@H]1CN(C)C[C@H](C(=O)N2CCO[C@@H]3CN(CC#N)C[C@@H]32)O1 1083119353 NZNXQHFQXMHKCI-XJFOESAGSA-N 308.382 -0.859 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1C[C@H]1C(=O)N(C)C 1083194339 JMUABSULOJTQHU-ZOBORPQBSA-N 305.378 -0.745 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)c2cnc(N(C)C)cn2)C1 1083460103 PZHINKSUUHFINX-OLZOCXBDSA-N 305.382 -0.106 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCCN(C(=O)CC)C2)C1 1083483849 LKEACJWKXHRMQO-ZNMIVQPWSA-N 321.421 -0.180 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@]2(C)CCCS2(=O)=O)C1 1083851608 HOOWCSRUUZWNGT-DYEKYZERSA-N 314.407 -0.862 30 20 DBED CCN(c1ccc(C#N)nc1)[C@H](C)CNC(=O)[C@H]1CNC(=O)N1 1089728141 CTBRUCFLGQZAIM-ZWNOBZJWSA-N 316.365 -0.034 30 20 DBED C=CCN1CC[C@H](NC(=O)c2cn3c(n2)COCC3)[C@H](O)C1 1090360655 LQRCJHDCVBMNEK-WCQYABFASA-N 306.366 -0.236 30 20 DBED CCO[C@H](C)C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1O 1090391717 JWLPGTHEWAJIJN-GMTAPVOTSA-N 305.338 -0.561 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2nc3ncccn3n2)[C@@H](O)C1 1090657952 LTHGQPYRRHAAEQ-RYUDHWBXSA-N 314.349 -0.687 30 20 DBED C=CCN1CC[C@H](NC(=O)C2CCN(C(C)=O)CC2)[C@H](O)C1 1090793608 GEFLKTHEYBYTCA-LSDHHAIUSA-N 309.410 -0.018 30 20 DBED C#CCCN1CC[C@@H](NC(=O)C2CCN(CC#C)CC2)[C@@H](O)C1 1090830223 JOSOAJCGZITINQ-SJORKVTESA-N 317.433 -0.094 30 20 DBED C[C@@H]1CN(c2nccnc2C#N)C[C@H]1NC(=O)CC(=O)N(C)C 1090833190 JWFWZHSRTIUINT-ZYHUDNBSSA-N 316.365 -0.233 30 20 DBED COCCC(=O)N[C@H]1CCN(c2ccc(C#N)nn2)C[C@H]1O 1092132831 XTVXREASSVFSCX-NWDGAFQWSA-N 305.338 -0.559 30 20 DBED N#CCN1CC(OC2CCN(C(=O)c3c[nH]c(=O)cn3)CC2)C1 1093565980 KGDWDTGYSKTORQ-UHFFFAOYSA-N 317.349 -0.401 30 20 DBED Cc1cc(C#N)nc(NCCNC(=O)[C@]2(C)CCNC2=O)n1 1094135552 VUYDWYFBCNXPQQ-CQSZACIVSA-N 302.338 -0.289 30 20 DBED C[C@H]1COCC[C@H]1C(=O)NCc1cn(C2CN(CC#N)C2)nn1 1094318440 MWKHUSFRSUFRIS-SMDDNHRTSA-N 318.381 -0.053 30 20 DBED Cc1ccnc(C(=O)N[C@@H]2CC(=O)N(C3CN(CC#N)C3)C2)n1 1094730794 IQWOUSAQSGDDNH-LLVKDONJSA-N 314.349 -0.677 30 20 DBED CCC(=O)NCC(=O)N1CC[C@@H](Nc2ccc(C#N)nn2)C1 1095024445 FXXLDXZJSMYKTB-LLVKDONJSA-N 302.338 -0.113 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](Nc2cnc(C#N)cn2)C1 1095035223 RVUGWPODUNXQRB-LLVKDONJSA-N 312.333 -0.499 30 20 DBED CNC(=O)NCC(=O)N1CC[C@@H](Nc2ncccc2C#N)C1 1095085291 QQLCHFZKJLZUFJ-LLVKDONJSA-N 302.338 -0.105 30 20 DBED CNC(=O)CC(=O)NCCCN(c1ccnc(C#N)n1)C1CC1 1096026514 FELCFAKVUFYCLO-UHFFFAOYSA-N 316.365 -0.041 30 20 DBED CC(=O)N(C)CC(=O)N[C@H]1CCCN(c2ccc(C#N)nn2)C1 1096169405 YBRXBVZXRCULQG-ZDUSSCGKSA-N 316.365 -0.088 30 20 DBED CC(C)(C(N)=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)nn2)C1 1096212585 ZYXIEPGKXKBQQO-NSHDSACASA-N 316.365 -0.055 30 20 DBED CC(=O)N[C@@H](C)C(=O)N[C@H]1CCN(c2cnc(C#N)cn2)C1 1096317576 VVWNQNGNLUYHKK-ONGXEEELSA-N 302.338 -0.432 30 20 DBED CC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cn1c(O)nnc1O 1096437928 MIGXHZTXPATROX-VWYCJHECSA-N 305.338 -0.566 30 20 DBED CCS(=O)(=O)CC(=O)N[C@H]1C[C@@H](Nc2cncc(C#N)n2)C1 1097191087 CDRICPTUARQESK-AOOOYVTPSA-N 323.378 -0.158 30 20 DBED C[C@@H](CNC(=O)Cn1cnnc1O)Nc1ccc(C#N)nn1 1097787828 PAKWCJFEXDBWLC-QMMMGPOBSA-N 302.298 -0.738 30 20 DBED C=CCCN(CCO)C1CCN(C(=O)[C@H]2CN(C)C(=O)N2)CC1 1098447169 BOLNMIKXENDPSL-CQSZACIVSA-N 324.425 -0.129 30 20 DBED COC(=O)NCC(=O)NCC[C@H](C)N=c1cc[nH]c(C#N)n1 1098823875 KTKLSNJCEWSFLC-VIFPVBQESA-N 306.326 -0.567 30 20 DBED C[C@@H](CCNC(=O)[C@H]1CNC(=O)N1)Nc1cnc(C#N)cn1 1099682566 LLSAVGFCDGGHID-WCBMZHEXSA-N 303.326 -0.664 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)c2cncs2)[C@H](O)C1 1099699474 ZCBNABCPNMTMDV-WDEREUQCSA-N 322.390 -0.943 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)C2=COCCC2)[C@H](O)C1 1099728400 WPOXCRTXFXEODD-ZIAGYGMSSA-N 323.393 -0.466 30 20 DBED C#CCCCCC(=O)N[C@H]1CCN(Cc2nnnn2C)C[C@H]1O 1099785300 DODLTEHKXBCETM-QWHCGFSZSA-N 320.397 -0.545 30 20 DBED Cc1nonc1CN1CC[C@@H](NC(=O)C#CC2CC2)[C@H](O)C1 1099823711 ICBKJSZCEDPKRC-TZMCWYRMSA-N 304.350 -0.157 30 20 DBED COC(=O)[C@@H]1C[C@H]1C(=O)NCCN(C)c1cncc(C#N)n1 1099961434 SXOQXPOMOKVPHH-GHMZBOCLSA-N 303.322 -0.290 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CC(=O)NCC2CC2)[C@@H](O)C1 1100069108 HQBZJTLALPQBTL-KGLIPLIRSA-N 307.394 -0.523 30 20 DBED C=CCCN1CC[C@@H](NC(=O)CS(=O)(=O)N(C)C)[C@H](O)C1 1100092971 VNTNDUNDWDDRTM-VXGBXAGGSA-N 319.427 -0.995 30 20 DBED CCN(CCNC(=O)[C@H]1CN(C)CCO1)c1ccnc(C#N)n1 1100495762 DLXWWJOWKLZQSN-GFCCVEGCSA-N 318.381 -0.379 30 20 DBED C#CCCNC1CC(CNC(=O)CN(C)S(=O)(=O)CC)C1 1100812556 RPRIHKIZLBUWJQ-UHFFFAOYSA-N 315.439 -0.224 30 20 DBED Cc1cc(=NCCN(C)C(=O)[C@@H]2CCC(=O)N2)c(C#N)c[nH]1 1101703685 VWBRDGFKDXGIMB-LBPRGKRZSA-N 301.350 -0.168 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)COC[C@@H]1CCOC1 1101777066 NRMAJEKRWMRSKX-GFCCVEGCSA-N 319.365 -0.306 30 20 DBED CN(CCNc1ccc(C#N)nn1)C(=O)[C@@H]1CCC(=O)NC1 1102027585 OPILGUDOKXTXNZ-SNVBAGLBSA-N 302.338 -0.255 30 20 DBED Cc1cnoc1C(=O)NC[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1102494845 SAIVJWIKINVAMG-VXGBXAGGSA-N 319.365 -0.080 30 20 DBED C#CCNC(=O)CC(=O)N(C)[C@H]1CCN(c2cnc(F)cn2)C1 1102694073 UXUBTVZIVZMHGW-NSHDSACASA-N 319.340 -0.208 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](C)CNC(=O)[C@H]2COC(=O)N2)n1 1103945348 PMWATLQUIHWUJP-GZMMTYOYSA-N 318.337 -0.071 30 20 DBED COC[C@@H](OC)C(=O)NC[C@@H](C)CN=c1cc[nH]c(C#N)n1 1104200155 NTVZKPVLFQTQDM-WDEREUQCSA-N 307.354 -0.404 30 20 DBED C[C@@](O)(CC(=O)N1CC(n2cc(CNCC#N)nn2)C1)C1CC1 1105216153 OVMYQOCTXVBTPE-OAHLLOKOSA-N 318.381 -0.174 30 20 DBED C[C@H](CC(N)=O)C(=O)N(C)CCN(C)c1nccnc1C#N 1105521426 JMOGPZOFOJSNKM-SNVBAGLBSA-N 304.354 -0.246 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](O)CNC(=O)c2cn(C)cn2)n1 1105793173 XFFGHLWRFOYMOB-NSHDSACASA-N 315.337 -0.407 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@H](O)CNc1ccc(C#N)nn1 1105806562 ZUVLAVLMYMCGET-BXUZGUMPSA-N 305.338 -0.436 30 20 DBED Cc1[nH]nc(C(=O)NC[C@H](O)CNc2ccc(C#N)nc2)c1O 1105819552 FZGQKRSNASJXSQ-LLVKDONJSA-N 316.321 -0.107 30 20 DBED C[C@H](C(=O)NC[C@H](O)CNc1cnc(C#N)cn1)n1cncn1 1105828209 ARLGSCODMAQELK-MWLCHTKSSA-N 316.325 -0.910 30 20 DBED CO[C@@H](C(=O)NC[C@H](O)CN=c1cc[nH]cc1C#N)C1CC1 1105834537 ZOLHEYYBFZHJFP-TZMCWYRMSA-N 304.350 -0.311 30 20 DBED CN1CC[C@@H](C(=O)NC[C@H](O)CNc2ccc(C#N)cn2)C1 1105853024 FJUTXNXHRDSCCN-CHWSQXEVSA-N 303.366 -0.206 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)[C@@H]2CCOC2)C[C@H]1C 1105902780 JUZGNXPZIVPFQN-MGPQQGTHSA-N 307.394 -0.544 30 20 DBED C[C@H](CC(N)=O)C(=O)NC[C@H](O)CNc1ccc(C#N)nc1 1106059949 MDKBHSCOKAXKBD-BXKDBHETSA-N 305.338 -0.646 30 20 DBED COC(=O)NCC(=O)N[C@H](C)CCN=c1cc[nH]c(C#N)n1 1106216843 DLLUUHCPDYXZLU-SECBINFHSA-N 306.326 -0.567 30 20 DBED C[C@@H](CCNc1nccnc1C#N)NC(=O)Cn1cncn1 1106333594 MJZBEAWSSRHMNH-JTQLQIEISA-N 300.326 -0.053 30 20 DBED C#CCNC[C@@H]1CN(C(=O)Cn2nc(C)ccc2=O)C[C@H]1C 1106903353 MOOAVMJWTVUSBK-TZMCWYRMSA-N 302.378 -0.131 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)c2nccnc2C(N)=O)C1 1108387082 OCEWESCPGAFLOF-HNNXBMFYSA-N 317.349 -0.971 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)c2cccc(C(N)=O)n2)C1 1108430607 PEMKJEKANQJDTI-INIZCTEOSA-N 316.361 -0.366 30 20 DBED C=CCCC(=O)N1CCN(CCO)[C@H]2CS(=O)(=O)C[C@H]21 1108462283 LRQZTICQKOBICL-NWDGAFQWSA-N 302.396 -0.745 30 20 DBED C[C@@H](CNc1cnc(C#N)cn1)NC(=O)[C@H]1C[C@H]1C(=O)N(C)C 1108701149 OBZUMJMIKYVWKD-ZMLRMANQSA-N 316.365 -0.011 30 20 DBED COCC#CCN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1nc[nH]n1)C2 1108793981 KVADJRJVDKNVRI-IHRRRGAJSA-N 317.393 -0.034 30 20 DBED N#Cc1cccnc1NC[C@H](NC(=O)CNC(N)=O)C1CC1 1109754156 TVCBKBNYNZOZHV-NSHDSACASA-N 302.338 -0.072 30 20 DBED C[C@@]1(CNC(=O)CC(N)=O)CCCN(c2nccnc2C#N)C1 1110920518 SFDHFPFBPJJVAC-HNNXBMFYSA-N 316.365 -0.054 30 20 DBED Cc1ncc(C(=O)N(CCO)CCNc2ccc(C#N)nn2)[nH]1 1111428400 XEFCXPFOIKWZGC-UHFFFAOYSA-N 315.337 -0.074 30 20 DBED CN(C)CCC(=O)N1CCO[C@@H](CN=c2cc[nH]c(C#N)n2)C1 1111962053 NKDVNCLBHIOHKE-LBPRGKRZSA-N 318.381 -0.639 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(c2cc(C)ncn2)C[C@H]1O 1112702931 WOSRTXDKVNIEBI-QWHCGFSZSA-N 306.366 -0.099 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)Cc2ccn(C)n2)CC1 1112835635 HJHIBUWWPUQLTN-CYBMUJFWSA-N 319.409 -0.203 30 20 DBED CC(C)[C@@H](C(=O)N1CCN(CC(=O)NCC#N)CC1)N(C)C 1112987322 CPJUEUQHFYJEGK-AWEZNQCLSA-N 309.414 -0.643 30 20 DBED N#Cc1cccc(CN2C[C@H]3C(NC(=O)CNC(N)=O)[C@@H]3C2)c1 1113849103 HOMBASMRYSGSDU-CHWSQXEVSA-N 313.361 -0.227 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)CC[C@@H]3CCCO3)[C@@H]2C1 1113910936 MEKLXLCCHJNGAR-BFHYXJOUSA-N 319.405 -0.259 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)c3cnsn3)[C@H]2C1 1113925854 STMAEHZZPIKZEY-UXCLJVHYSA-N 321.406 -0.111 30 20 DBED C=CCOCCN1C[C@@H]2C(NC(=O)c3cc(=O)n(C)o3)[C@H]2C1 1114175200 AECDAPTUPULDDF-QWRGUYRKSA-N 307.350 -0.159 30 20 DBED C#CCO[C@H](C)C(=O)NC1[C@H]2CN(Cc3nnc(C)o3)C[C@H]12 1114270551 HSNUVNKCCZSZIU-USWWRNFRSA-N 304.350 -0.037 30 20 DBED C=CCNC(=O)NC(=O)CN1C[C@H]2[C@H](NC(=O)[C@H]3C[C@@H]3C)[C@H]2C1 1114682845 FIAPYFMSCUKWOC-ZXPJVPCYSA-N 320.393 -0.299 30 20 DBED C=C1CCC(C(=O)NC2[C@H]3CN(CC(=O)NC(N)=O)C[C@H]23)CC1 1114777169 ZGZXTXKZTGYFHA-RYUDHWBXSA-N 320.393 -0.026 30 20 DBED CNC(=O)CCCCC(=O)N[C@H]1[C@@H]2CN(CC#CCOC)C[C@@H]21 1115327898 GQPKUFQXNPSUMS-HALDLXJZSA-N 321.421 -0.011 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCC[C@@H](C(=O)NC)C1)[C@@H]1CCCO1 1117581929 OVOMFNWAMGUWGI-AGIUHOORSA-N 321.377 -0.732 30 20 DBED CCN1CCN(C(=O)C(=O)N2CCC(C)(C#N)CC2)CC1=O 1117938866 BGGOFMSGTNDYTI-UHFFFAOYSA-N 306.366 -0.171 30 20 DBED C#CCn1cc(CNC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cn1 1119285759 DCLAIRPPWNRYKW-GFCCVEGCSA-N 310.379 -0.155 30 20 DBED CCN(C)CCC(=O)NC[C@H](CO)Nc1ccc(C#N)nn1 1122029808 WZEDTAAKNCQDDI-GFCCVEGCSA-N 306.370 -0.421 30 20 DBED N#Cc1cnc(N[C@@H](CO)CNC(=O)Cc2cnoc2)cn1 1122391659 SIKXEQCEYDQOGO-LLVKDONJSA-N 302.294 -0.532 30 20 DBED CO[C@H](C)C(=O)N(C)C[C@H](O)CN=c1cc(C)[nH]cc1C#N 1124123907 KYQFYKOPECWXIE-DGCLKSJQSA-N 306.366 -0.050 30 20 DBED CN(C[C@@H](O)CNc1cnc(C#N)cn1)C(=O)CC(C)(C)O 1124289776 JJNDPPSEOFNXSA-NSHDSACASA-N 307.354 -0.260 30 20 DBED CN(C[C@H](O)CNc1ccc(C#N)cn1)C(=O)[C@H]1CCNC1=O 1124693297 DDAYEVZWWITGNF-NEPJUHHUSA-N 317.349 -0.679 30 20 DBED C=CCOCC(=O)NCCN[C@H](C)C(=O)NC[C@H]1CCCO1 1124772847 KKPBPQDYFMGLTD-CHWSQXEVSA-N 313.398 -0.422 30 20 DBED CN(Cc1cnn(C)c1)C(=O)CNCCNC(=O)C#CC1CC1 1126881075 KIZLMOGADZEQNH-UHFFFAOYSA-N 317.393 -0.502 30 20 DBED C#CCNCc1nnc2n1CC[C@H](NC(=O)CCN(C)C)CC2 1128033430 WJHDPLOYRZORGM-CYBMUJFWSA-N 318.425 -0.226 30 20 DBED CCO[C@H](CC)C(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1 1128770435 UESCIGPHNRTXGQ-FRRDWIJNSA-N 306.370 -0.042 30 20 DBED C=CCOCCNCCNC(=O)c1nc2ncc(C)cn2n1 1130076798 BSYYINDSWORBRS-UHFFFAOYSA-N 304.354 -0.045 30 20 DBED N#CCN1CCOC[C@H]1c1n[nH]c(CNC(=O)C#CC2CC2)n1 1130849419 KDVWBQUZRBGWCZ-LBPRGKRZSA-N 314.349 -0.269 30 20 DBED CC#CCN1C[C@H]2C[C@H]3CN(C(=O)[C@H](C)NC(N)=O)C[C@@]3(C1)O2 1131217296 LRBLHZVSZQHMPH-BCUIYNNISA-N 320.393 -0.632 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)[C@@H](C)NC(=O)CC)C[C@@]3(C1)O2 1131229864 BBKPTMQNDMSYME-VMUDFCTBSA-N 319.405 -0.164 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CCNC(=O)CC1 1131848728 YSQSWXCJUIGCOI-NEPJUHHUSA-N 310.398 -0.701 30 20 DBED N#CCNC(=O)CNCCNC(=O)[C@H]1OCCc2ccccc21 1132190980 GSWPLZPVNCVIKD-HNNXBMFYSA-N 316.361 -0.354 30 20 DBED C=C(C)CN(CC)C(=O)CNCCNC(=O)[C@@H](C)CC(N)=O 1132351861 DCALMMOKBXJDPB-LBPRGKRZSA-N 312.414 -0.372 30 20 DBED C[C@@H]1CC[C@@H](NC(=O)CS(=O)(=O)N(C)C)CN1CC#N 1132453216 LPZAZZHYXFIYPZ-GHMZBOCLSA-N 302.400 -0.630 30 20 DBED C[C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C[C@H]1CNCC#N 1133030343 BGPKAUPDYRGDTM-CHWSQXEVSA-N 307.398 -0.984 30 20 DBED C=CCC[C@@H](C)NCCNC(=O)[C@H](CCC(N)=O)NC(C)=O 1135384595 ICNUSOWNTHGGLZ-YPMHNXCESA-N 312.414 -0.183 30 20 DBED CC#CCN[C@H](C)C[C@H](C)NC(=O)CN1C(=O)CN(C)C1=O 1136131396 YNBOHZKTSSMONU-NEPJUHHUSA-N 308.382 -0.223 30 20 DBED C#CCO[C@H](C)C(=O)N1CC2(CCN([C@H]3CCN(C)C3=O)C2)C1 1147541376 OEOVECQXDDJQOR-KGLIPLIRSA-N 319.405 -0.210 30 20 DBED C=CCNC(=O)NC(=O)CNCCCNC(=O)Cc1ccoc1 1156966093 LZCDMGDKAGAKAY-UHFFFAOYSA-N 322.365 -0.070 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)[C@@H](C)NC(=O)CC)C1=O 1158644884 FBHUVBRRSCZYGC-OLZOCXBDSA-N 324.425 -0.216 30 20 DBED C=C(Cl)CNCCCNC(=O)CCn1ncn(C)c1=O 1163204434 VUXSYSOTPVKQQP-UHFFFAOYSA-N 301.778 -0.180 30 20 DBED Cn1nnnc1CNCC1(CCNC(=O)C#CC2CC2)CC1 1164487382 QYYMEDLJAYSSDN-UHFFFAOYSA-N 302.382 0.000 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H]2OCCN(CC3CC3)[C@H]2C1 1176982518 FFOUPOAGWLRWHD-GJZGRUSLSA-N 319.405 -0.162 30 20 DBED C=CCCOCC(=O)NCCCNC[C@@H](O)COCCOC 1177260322 JANADBHCIHDCLL-CQSZACIVSA-N 318.414 -0.301 30 20 DBED COCC#CCN[C@H]1CCN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)[C@H]1C 1178981824 FJHQDNPKPPJIFE-FXUDXRNXSA-N 323.437 -0.066 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2ccn(C)c2)C1 1182014660 HAAWVKKSASMJAN-TZMCWYRMSA-N 302.378 -0.033 30 20 DBED COCCOC[C@@H](O)CN[C@@H]1CCN(C(=O)C#CC2CC2)C1 1182388535 ICCWGIVJJVXBGS-CABCVRRESA-N 310.394 -0.386 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 1183288778 ODXAPPYTPIOZQY-ZIAGYGMSSA-N 320.437 -0.201 30 20 DBED C=CCN1CC[C@@H](N[C@@H]2CCN(C(=O)CCCC(N)=O)C2)C1=O 1188391082 QKEYZJLTTLOIMB-CHWSQXEVSA-N 322.409 -0.381 30 20 DBED N#CCN1C[C@@H]2CCN(C(=O)CNC(=O)c3ccccn3)[C@@H]2C1 1190312531 XVQVMDTVYQOUJN-GXTWGEPZSA-N 313.361 -0.132 30 20 DBED CN(CC(=O)NCC#N)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 1190645703 UZECFKCZEARRRS-ZDUSSCGKSA-N 321.425 -0.357 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(Cc2noc(C3CC3)n2)C[C@H]1O 1191756062 POSKLMBDPBABOG-VXGBXAGGSA-N 322.365 -0.189 30 20 DBED C=CCOCCN(C)[C@@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C1 1192837853 SEPPNOKHNKJYNP-CYBMUJFWSA-N 323.393 -0.226 30 20 DBED C#CCNC(=O)CC(=O)N1CCCN(CCn2cccn2)CC1 1195588538 KLFQJIIWYXMRLC-UHFFFAOYSA-N 317.393 -0.443 30 20 DBED C=C[C@@](C)(CC)C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1O 1195932847 YDRUWZNDPUPABQ-JMSVASOKSA-N 308.382 -0.610 30 20 DBED C#CCC1(C(=O)N[C@@H]2CN(CC(N)=O)C[C@H]2O)CCCCC1 1199277835 CNOKQPVJWWMTSM-CHWSQXEVSA-N 307.394 -0.393 30 20 DBED C=CCCNC[C@H]1CN(C(=O)CN2C(=O)CCC2=O)CCCO1 1202021973 ROHJNZLWMGMJJK-ZDUSSCGKSA-N 323.393 -0.081 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)CCOCC2CC2)[C@H](C)C1 1206961145 LXMNQKDTELHJAY-UKRRQHHQSA-N 321.421 -0.011 30 20 DBED C#CCCN[C@H]1CCCN(C(=O)CCNS(C)(=O)=O)C1 1208272268 ZWRSKULLEADONX-LBPRGKRZSA-N 301.412 -0.470 30 20 DBED C=C(C)CN1C[C@@H](NC(=O)[C@H](C)NS(C)(=O)=O)[C@H](C)C1 1208913629 PARGGFBBIWOJQB-GRYCIOLGSA-N 303.428 -0.063 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)CCCN(C)C)C1 1209324758 VAPUCLWEPSKCER-AWEZNQCLSA-N 308.426 -0.342 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](NCC(=O)NC2CCOCC2)[C@H](C)C1 1214343768 FNGAQFDEFRGYNX-YRGRVCCFSA-N 322.409 -0.122 30 20 DBED C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1NCC(=O)NC(N)=O 1214407165 PVMSNXAEZKNDSS-LDYMZIIASA-N 318.337 -0.869 30 20 DBED COC[C@H](O)CN[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C 1214463953 IWYOQQAHOAPBFW-LERXQTSPSA-N 306.366 -0.056 30 20 DBED CC/C=C(/C)C(=O)N1CCO[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1217435743 QPWDDNFLVKNDOM-IZWIXQHKSA-N 320.393 -0.106 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 1219417835 GBGCKNCWNCLZNF-KGLIPLIRSA-N 302.334 -0.689 30 20 DBED CN(CCc1ccccc1)CC(=O)N[C@@H]1CN(CC#N)C[C@@H]1O 1220372919 QIBHLFZVXKMTPT-CVEARBPZSA-N 316.405 -0.154 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2CC(C)C)C1 1220381626 SWHQXMHNIPEGNI-TUVASFSCSA-N 321.421 -0.421 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(CCOCC)C[C@@H]2O)nc1 1220793476 XOBHALIURXIWLT-CABCVRRESA-N 303.362 -0.126 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@H](C)CN2CCOCC2)C1 1220986272 YWQHDMZFWFKEHN-KFWWJZLASA-N 309.410 -0.861 30 20 DBED C#CCN1CCS(=O)(=O)[C@H](CCNC(=O)[C@H](F)CC)C1 1230480921 IYYZOFKQNAYAAH-VXGBXAGGSA-N 304.387 -0.027 30 20 DBED C#CCNC(=O)CC(=O)N(C)C[C@@H]1CCN1[C@@H](C)C(=O)N(C)C 1233808496 BBJJOHJFVMDLHD-STQMWFEESA-N 322.409 -0.865 30 20 DBED COCC#CCN1CC[C@H]1CN(C)C(=O)C1CN(C(C)=O)C1 1233865403 IGLMRNZUYDXCBM-HNNXBMFYSA-N 307.394 -0.353 30 20 DBED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccon2)CC1 1256712407 HPEWZDMBRZYVKR-UHFFFAOYSA-N 304.306 -0.399 30 20 DBED C#CCN1CCN(c2nnc([C@]3(O)CCSC3)n2C)CC1 1262922676 WZJNEXXILDVFNQ-AWEZNQCLSA-N 307.423 -0.105 30 20 DBED N#CCN1CCN(C(=O)C2CCC3(CC2)NC(=O)NC3=O)CC1 1318783183 VRYLYYZAVCANDW-UHFFFAOYSA-N 319.365 -0.577 30 20 DBED CC(C)(C)C(=O)NCCNC(=O)C(=O)N1CC[C@](F)(C#N)C1 1322241480 NXSAUKHEEWPKHW-AWEZNQCLSA-N 312.345 -0.271 30 20 DBED CNS(=O)(=O)c1ccc(C(=O)NC2(C#N)CCOCC2)o1 1322904548 SECSEDZYDUXRBX-UHFFFAOYSA-N 313.335 -0.010 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)C(=O)NCCCn2cccn2)C1 1326098324 DBCLVNYWEOQMQX-CQSZACIVSA-N 305.338 -0.734 30 20 DBED CC#CCCNC(=O)C(=O)N[C@H]1CCOC[C@H]1OCCOC 1327050736 HLVRYHRDYIRBHH-QWHCGFSZSA-N 312.366 -0.547 30 20 DBED C=CCOCCNC(=O)C(=O)N1CC(=O)N(CC(F)(F)F)C1 1327052525 IDVMSHBXZBZLOV-UHFFFAOYSA-N 323.271 -0.504 30 20 DBED O=C1CC[C@H](C(=O)NCC#CCNC(=O)[C@H]2CCC(=O)C2)C1 1327168233 OLROMHUPZWBDJS-RYUDHWBXSA-N 304.346 -0.039 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCC[C@@]12CCOC2=O)[C@H]1CCCO1 1327257243 AJJJDJFAOQQTRN-OZVIIMIRSA-N 320.345 -0.409 30 20 DBED C=CCn1c(O)nnc1S(=O)(=O)CCCS(C)(=O)=O 1327716695 LWYPEGAKOWNNCG-UHFFFAOYSA-N 309.369 -0.622 30 20 DBED Cc1nc2n(n1)C[C@H](NC(=O)C(=O)NCCCCC#N)CC2 1328505425 MUMYQJYUKDKIDR-LLVKDONJSA-N 304.354 -0.172 30 20 DBED CC#CCN(C)C(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1 1330397483 HSYRCDLJEZNMQG-UHFFFAOYSA-N 309.347 -0.246 30 20 DBED CCn1c([C@H]2C[C@H]2C#N)nnc1N1C[C@H]2C(=O)N(C)C(=O)[C@H]2C1 1342817298 PKUJFQSDHWCGFG-XWLWVQCSSA-N 314.349 -0.024 30 20 DBED CCOC(=O)C[C@@H](C)CNC(=O)C(=O)N1CCO[C@@H](C#N)C1 1343261709 FNLJTYJZLOWSHS-MNOVXSKESA-N 311.338 -0.557 30 20 DBED N#C[C@]1(F)CCN(C(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C1 1345571032 MFRUXWZFMODXPV-LALPHHSUSA-N 324.356 -0.570 30 20 DBED C=CCOCCNC(=O)C(=O)NCC1(N2CCOCC2)CC1 1350580960 XHDGVLREHBNZTI-UHFFFAOYSA-N 311.382 -0.714 30 20 DBED CCN(CCNC(=O)CCn1cc(C#N)c(O)nc1=O)C1CC1 1362113601 JQMLWCXUDOBUKV-UHFFFAOYSA-N 319.365 -0.189 30 20 DBED COCCN(CCNC(=O)c1c[nH]c(=O)cn1)C(=O)[C@@H](C)C#N 1396151677 INCVIKRRTNGIAS-JTQLQIEISA-N 321.337 -0.866 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)CCc2cncs2)C1 1396443654 NIYYDQBTTLTKNJ-WCQGTBRESA-N 322.390 -0.077 30 20 DBED Cc1nn[nH]c1C(=O)NC[C@H](O)CNCc1cccc(C#N)c1 1406247857 CSZWHDFTYCOXLA-CYBMUJFWSA-N 314.349 -0.135 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1cncnc1C1CC1 1410142457 HFVYWXARIQOPCO-ONGXEEELSA-N 317.349 -0.279 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1cc(C(F)F)[nH]n1 1410166298 NXDUUBOMEUGDFE-RQJHMYQMSA-N 315.280 -0.286 30 20 DBED COc1c[nH]c(C(=O)N[C@@H](C)CNC(=O)[C@@H](C)C#N)cc1=O 1415256653 JRLPIPNBFIRELC-IUCAKERBSA-N 306.322 -0.222 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNCC1(CS(C)(=O)=O)CC1 1420118900 YQOPKSVWVJBLSJ-WDEREUQCSA-N 317.411 -0.962 30 20 DBED C[C@@H](NC[C@H](O)CN(C)C(=O)c1cc(C#N)c[nH]1)C(=O)N(C)C 1423434042 OAOKMOLBEXKMJP-PWSUYJOCSA-N 321.381 -0.614 30 20 DBED C[C@@H](CN(C)C(=O)c1cc(C(N)=O)ccn1)NC(=O)[C@@H](C)C#N 1425134156 MPBGWWMSROJAOO-UWVGGRQHSA-N 317.349 -0.083 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CCCC(=O)N2C)C1 1428233433 IXGLLPFFDBCCFN-DDHJBXDOSA-N 306.366 -0.080 30 20 DBED CCC(=O)NCC(=O)NC1CN(C(=O)c2c[nH]c(C#N)c2)C1 1432214017 QOYFNBIKZUTSRN-UHFFFAOYSA-N 303.322 -0.647 30 20 DBED N#Cc1ccc(C(=O)NCCc2nnc3n2CCNC3=O)o1 1434362823 WZQSLIMHOSFVRD-UHFFFAOYSA-N 300.278 -0.541 30 20 DBED C=C(Br)CNC[C@H](O)CNC(=O)[C@H](O)C(C)C 1438986375 SNOFGVVSTGKYJB-VHSXEESVSA-N 309.204 -0.021 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CCCN2C(N)=O)C1 1445923406 ORPOXLVOZAVUIT-YFKTTZPYSA-N 321.381 -0.300 30 20 DBED C=C(Cl)CN(C)[C@@H](C)CNC(=O)[C@@H]1CC(=O)NC(=O)N1 1448095761 VXGDMYMGEDYVPS-IUCAKERBSA-N 302.762 -0.227 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@@H](O)CNC(=O)[C@@H]2CCCO2)c1 1457899296 ASZTUZDYYAGPJO-PWSUYJOCSA-N 306.322 -0.728 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]1CNC(=O)CN1CCCCC1=O 1458753741 NAWBEQPFYZGXAQ-NWDGAFQWSA-N 306.366 -0.124 30 20 DBED CCC(=O)NCCN1CCN(CC(=O)N(CC)CCC#N)CC1 1479922660 GVSODNWAFNXOPA-UHFFFAOYSA-N 323.441 -0.108 30 20 DBED C=C(Cl)CN(CC)CCNC(=O)[C@H]1CCS(=O)(=O)N1 1493058791 QDHJQWLRYJWSSO-SNVBAGLBSA-N 309.819 -0.131 30 20 DBED N#CCNC(=O)CNC[C@@H]1CCCCN1C(=O)Cc1cnc[nH]1 1505409114 GIUIMJOTCSBDOZ-ZDUSSCGKSA-N 318.381 -0.437 30 20 DBED C[C@H](CC(N)=O)C(=O)N1CC[C@@H]1CNC(=O)c1cc(C#N)c[nH]1 1505665793 MJILUJMCHHJGIX-MWLCHTKSSA-N 317.349 -0.271 30 20 DBED COC(=O)NCC(=O)N1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 1522433267 ISGJJUWTVPWKFK-UHFFFAOYSA-N 319.321 -0.473 30 20 DBED C#CC[C@H](CCOC)NC(=O)C1(S(C)(=O)=O)CCNCC1 1574504065 BSZRHVLPXGFOMG-GFCCVEGCSA-N 316.423 -0.302 30 20 DBED C=CC1(CC(=O)NCCS(=O)(=O)NC(C)(C)C)CNC1 1574879560 FDYLBNKSMNSRLG-UHFFFAOYSA-N 303.428 -0.014 30 20 DBED C#CCNC(=O)CN(C)[C@@H](C)CNC(=O)CCCc1cnn[nH]1 1575005282 ZJOVLPMOIIHVIC-LBPRGKRZSA-N 320.397 -0.687 30 20 DBED C[C@@H]1CN(CCO)CCN1c1cnc(C#N)c(-c2nn[nH]n2)n1 1576361042 QHFIBXPHZGIKGZ-SECBINFHSA-N 315.341 -0.969 30 20 DBED N#Cc1cn(CCC(=O)N2C[C@H]3CCNC[C@H]32)c(=O)nc1O 1580081234 YCTYFXDYOTWLRQ-MWLCHTKSSA-N 303.322 -0.969 30 20 DBED N#Cc1nc(NC(=O)[C@H]2CCNC(=O)CC2)[nH]c1-c1nn[nH]n1 1581860292 TYIBDJPGNRETOM-ZCFIWIBFSA-N 315.297 -0.684 30 20 DBED C#CCN(CC(=O)O)C(=O)C(=O)Nc1cn(C)nc1C1CC1 1588397256 BNJUPUJGHLLTFO-UHFFFAOYSA-N 304.306 -0.218 30 20 DBED C=CC(C)(C)C(=O)NCCn1cc(-c2nn[nH]n2)c(O)nc1=O 1588477870 IWQUXKLSXNJXIU-UHFFFAOYSA-N 319.325 -0.543 30 20 DBED C=C[C@@](C)(O)C(=O)Nc1n[nH]c(CCCNC)c1-c1nn[nH]n1 1588500497 YSNYWNCQDAGWQD-CYBMUJFWSA-N 320.357 -0.383 30 20 DBED CCOC(=O)CON=C(C(=O)N[C@@H](C)C(=O)O)c1cc[nH]n1 1590648337 IGOBDMCXSDFYLF-ZETCQYMHSA-N 312.282 -0.717 30 20 DBED N#CCC1(O)CN(C(=O)[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 1592673722 LWNCPRXCDRSBRE-NSHDSACASA-N 314.305 -0.613 30 20 DBED COc1cc(C#N)ccc1OCC(=O)NCC(=O)NCC(=O)O 1599347437 HMWRYSAALPPCHB-UHFFFAOYSA-N 321.289 -0.737 30 20 DBED N#Cc1ccc(N2CCN(CC(=O)NCCC(=O)O)CC2)cn1 1601106142 PRJRNOSFCKMOGF-UHFFFAOYSA-N 317.349 -0.334 30 20 DBED C#CCN(C(=O)[C@H]1CCCN(CC(=O)O)C1=O)C1CSC1 1602675649 GQWDICOXMXFJHD-NSHDSACASA-N 310.375 -0.113 30 20 DBED C#CCCS(=O)(=O)NCCNc1ccc(-c2nn[nH]n2)cn1 1602714116 KEMKATDSOGPWGG-UHFFFAOYSA-N 321.366 -0.384 30 20 DBED C#Cc1cncc(C(=O)NCCn2cnc(-c3nn[nH]n3)n2)c1 1602745545 JKHWPFXBMYLGNV-UHFFFAOYSA-N 309.293 -0.736 30 20 DBED C=C[C@@H](C(=O)O)N1CCN(S(=O)(=O)CCOC(C)C)CC1 1602806063 QFGNXEKBWDAEOY-LBPRGKRZSA-N 320.411 -0.002 30 20 DBED C#CCN(C(=O)c1nc[nH]n1)C1CCN(C[C@H](O)COC)CC1 1716810371 OBXHRRMEGWOUQG-ZDUSSCGKSA-N 321.381 -0.648 30 20 DBED C#CCNC(=O)CN[C@@H](C)CNC(=O)[C@H]1CCn2cncc2C1 1752881419 AKEMHCWHSKWREK-STQMWFEESA-N 317.393 -0.711 30 20 DBED C=C(C)CNC[C@@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 1752963252 LLWMVOVOBFJSOP-NSHDSACASA-N 306.370 -0.609 30 20 DBED Cn1ncc(Cl)c1C(=O)NC1CN(CC(=O)NCC#N)C1 1753378176 VMDAWSJDUJRGFY-UHFFFAOYSA-N 310.745 -0.873 30 20 DBED C#CCNC(=O)CN1CC[C@H](N(CC)C(=O)c2cnns2)C1 1753451425 DCWFPHQGMNOBQN-NSHDSACASA-N 321.406 -0.176 30 20 DBED CC[C@H](CNC(=O)c1ccn(C)c(=O)c1)NCC(=O)NCC#N 1753476958 ACJRGDAWPQWEBJ-GFCCVEGCSA-N 319.365 -0.877 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)[C@H](C)CNCc1nnnn1C 1753697471 WOZVMVYKIIJODE-OLZOCXBDSA-N 319.413 -0.756 30 20 DBED C=CCN1CC[C@@H](NC[C@@H](C)NC(=O)[C@H]2CCCN2C)C1=O 1754238507 UPNUBQLSFWOPSI-MGPQQGTHSA-N 308.426 -0.038 30 20 DBED CC(C)(C)C(=O)C(=O)N1CCC[C@H]1CNCC(=O)NCC#N 1754606925 JIKJWFRUMBPFMF-NSHDSACASA-N 308.382 -0.178 30 20 DBED C#CCNC1(CNC(=O)[C@H]2CCc3nncn3C2)CCOCC1 1754742800 VJFVPSNSRMHEMQ-ZDUSSCGKSA-N 317.393 -0.271 30 20 DBED C=CCN1CC[C@](O)(CNC(=O)CCS(=O)(=O)N(C)C)C1 1754762466 QJYGLDXBBAQYHF-ZDUSSCGKSA-N 319.427 -0.993 30 20 DBED C#CCN1CC(O)(CNC(=O)CCc2ccccc2C(N)=O)C1 1754778164 PXXHYMLYRVKBLT-UHFFFAOYSA-N 315.373 -0.486 30 20 DBED C=C(C)CNCCN(CCO)C(=O)C(C)(C)S(C)(=O)=O 1754893520 YBNRBXRBPAJUMF-UHFFFAOYSA-N 306.428 -0.204 30 20 DBED C[C@H](C(N)=O)N1CC2(CC[C@@H](CNC(=O)C#CC3CC3)O2)C1 1755054510 PAVMPIGIBKLUJN-YPMHNXCESA-N 305.378 -0.377 30 20 DBED C=CCN1CC2(C[C@H](NC(=O)CCn3cnccc3=O)CO2)C1 1755065381 KAMQMMBISVITNQ-ZDUSSCGKSA-N 318.377 -0.221 30 20 DBED C[C@@H](NC(=O)CSCC#N)C1CN([C@@H]2CCN(C)C2=O)C1 1755371521 YESDVYNPMUFFGZ-ZYHUDNBSSA-N 310.423 -0.090 30 20 DBED C=CCOCCNC[C@@H]1CC[C@H](NC(=O)c2nnn(C)n2)C1 1755744415 VVVQMIKSPZXQIV-NEPJUHHUSA-N 308.386 -0.099 30 20 DBED C#CCOCCC(=O)N[C@@H](CNCc1nnnn1C)C(C)(C)C 1755821486 FZYVGIFDPCHKQL-LBPRGKRZSA-N 322.413 -0.130 30 20 DBED Cn1cc(C(=O)NCC2CC(NC(=O)C#CC3CC3)C2)nn1 1755935788 CPKRNTJLWFGSTL-UHFFFAOYSA-N 301.350 -0.147 30 20 DBED C=CCCC(=O)NC[C@@H](CO)NC(=O)c1c(C)nn(C)c1OC 1756508563 XFBVKPBZSKPHEV-NSHDSACASA-N 324.381 -0.090 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CN(C(=O)c3cnn[nH]3)C[C@H]21 1756958329 MKJDQGIYAXOBSZ-GMXVVIOVSA-N 317.349 -0.484 30 20 DBED Cc1nc[nH]c1C(=O)N[C@@H]1CN(C(=O)CSCC#N)C[C@@H]1O 1757189855 AHTFNNNAFSMCAG-ZJUUUORDSA-N 323.378 -0.724 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)CC(=O)N(C)C)C[C@H]21 1757245014 UORAFWQMGIFQES-IJLUTSLNSA-N 306.366 -0.316 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(O)no1)CCO2 1783053676 BMGYHXWNNKYDBF-AWEZNQCLSA-N 305.290 -0.543 30 20 DBED C[C@H](O)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](C)S)CCO2 1783523995 MNDTXGNEGYMKJS-OUJBWJOFSA-N 302.396 -0.485 30 20 DBED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3csnn3)[C@H]2C1 1784675301 HNSMQOAKKUICFV-NHCYSSNCSA-N 320.374 -0.235 30 20 DBED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)COC)C[C@@H]21 1790789808 MEGHLSNEIDWVEU-RFGFWPKPSA-N 308.378 -0.118 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C)[nH]n1 1798651900 HKHKDXJMJHROJQ-GNXNZQSNSA-N 302.334 -0.445 30 20 DBED CC[C@H](C)NC(=O)[C@H](C)Nc1c(C#N)c(=O)n(C)c(=O)n1C 65945926 YPGLSHOYNJMBIG-IUCAKERBSA-N 307.354 -0.329 30 20 DBED C=CCN(CC(=O)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 66561178 CGLKSUFHRQUMMB-LBPRGKRZSA-N 302.396 -0.480 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCSCC2)c1=O 77443481 WDWNEHRDLZCKGD-UHFFFAOYSA-N 324.406 -0.450 30 20 DBED CCOC(=O)c1cn[nH]c1S(=O)(=O)N1CCO[C@H](C#N)C1 113199271 SDUZSWXDMLKKQP-MRVPVSSYSA-N 314.323 -0.501 30 20 DBED CN(C)S(=O)(=O)CCNS(=O)(=O)c1ccc(C#N)s1 231009056 BLVUBUVFMLVBME-UHFFFAOYSA-N 323.421 -0.211 30 20 DBED N#Cc1cccc(C#N)c1N1CCN(C(=O)Cn2cnnn2)CC1 302829397 JTAWCYZZBUUJJU-UHFFFAOYSA-N 322.332 -0.235 30 20 DBED COCCN/C(N)=N/CCS(=O)(=O)NC[C@@H]1CCCCO1 304057471 MWDNKMYPXWWNPO-NSHDSACASA-N 322.431 -0.974 30 20 DBED CC(=O)N1CCN(/C(O)=N/CCN2CCN=C(O)C2)[C@@H](C)C1 329313485 RMMCMBLKSJXDDR-NSHDSACASA-N 311.386 -0.275 30 20 DBED CN1CCO[C@H](C/N=C(/O)N[C@H](CO)C2CCOCC2)C1 329465274 RHUILDWTXWEVFE-CHWSQXEVSA-N 301.387 -0.392 30 20 DBED CCS(=O)(=O)N1CCC(/N=C(/O)N[C@@H]2[C@H]3COC[C@H]32)CC1 329921195 HMGPCCXLDRGGAR-GDNZZTSVSA-N 317.411 -0.051 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@H]1CCCC[C@H]1O 330401735 UXQUCPSVWJHESC-NWDGAFQWSA-N 305.400 -0.014 30 20 DBED CNC(=O)[C@@H]1CCCN(CC(=O)N/C(O)=N/[C@@H](C)COC)C1 330694103 IGRYUKBYCOXEOY-WDEREUQCSA-N 314.386 -0.491 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)NCCNC(=O)C1CC1 336895009 MKFGZHXGNGWJFG-JTQLQIEISA-N 302.400 -0.171 30 20 DBED CCN(CCC#N)S(=O)(=O)NC[C@H]1CCCS1(=O)=O 336932386 CIZJQNFJULJYHT-SNVBAGLBSA-N 309.413 -0.366 30 20 DBED COC[C@H]1CCCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)C1 337092287 MEBUDWYNAFBIOB-RYUDHWBXSA-N 303.384 -0.186 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N2CCC[C@@H](CO)CC2)CCO1 339127189 XPWCZASVDLSUEY-VXGBXAGGSA-N 303.384 -0.450 30 20 DBED C=C[C@@H](CO)NS(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O 349815279 XPCIUKVAZSEKKS-QMMMGPOBSA-N 310.331 -0.262 30 20 DBED N#Cc1cccc(S(=O)(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)c1 352956697 ZWUXBRJYYOQSIA-NSHDSACASA-N 320.330 -0.517 30 20 DBED C=CCSCCNC(=O)C(=O)N1C[C@@H](C)O[C@@H](CO)C1 355290572 MRVZDGDPRJNZEY-GHMZBOCLSA-N 302.396 -0.370 30 20 DBED COCCN(C(=O)CN(C)CC#N)[C@H]1CCS(=O)(=O)C1 355935570 GEVRFUMEFQQBIB-NSHDSACASA-N 303.384 -0.896 30 20 DBED N#CCNC(=O)CNC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1 376210317 ZEQNDILSLSVRLU-JTQLQIEISA-N 318.308 -0.065 30 20 DBED CCS(=O)(=O)N1CCN(C(=O)[C@H](N)CCCC#N)CC1 424089749 WLSYKANYGCQAFJ-LLVKDONJSA-N 302.400 -0.499 30 20 DBED COCCCS(=O)(=O)NCC(=O)N[C@]1(C#N)CC1(C)C 427885517 JHMFECWYOCUYKP-LBPRGKRZSA-N 303.384 -0.249 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H](CNC)C2)C1=O 428792492 XAHDFNLMHBXFAM-NSHDSACASA-N 322.365 -0.579 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccn(C)n2)C1=O 440257597 PLKNOSPRWSOHEN-JTQLQIEISA-N 305.338 -0.396 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2cnn(C)c2C)CC1 491165505 LNNSVHYBYWBEIY-UHFFFAOYSA-N 303.366 -0.764 30 20 DBED C#CCN(C)CCCNC(=O)CN(C)[C@@H]1CCS(=O)(=O)C1 491514732 JSYYLTQAHSJVNU-CYBMUJFWSA-N 315.439 -0.823 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C)[C@H]2CCCOC2)C1=O 543732328 LFVAUZMBJNCDDD-MNOVXSKESA-N 323.349 -0.106 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)c2ccc3nnnn3c2)C1=O 545251041 MMRFHOKZDJBDAW-NSHDSACASA-N 300.322 -0.017 30 20 DBED COc1cc(C#N)ccc1NC(=O)C(=O)NCC(=O)N(C)C 546708256 ZDBNUPIMYQMKFZ-UHFFFAOYSA-N 304.306 -0.290 30 20 DBED C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 565248968 CDNUJFLLLFYDQE-LPWJVIDDSA-N 308.382 -0.327 30 20 DBED N#Cc1ccc(S(=O)(=O)NCc2cn(CC(=O)O)nn2)o1 581209288 JZARCIQCIUSKSK-UHFFFAOYSA-N 311.279 -0.694 30 20 DBED CCN(CC)CCNC(=O)C(=O)NC1CCN(CC#N)CC1 585682050 MUMGRIFFKSTDSX-UHFFFAOYSA-N 309.414 -0.451 30 20 DBED Cn1nnc2cc(S(=O)(=O)N3CCO[C@H](C#N)C3)ccc21 592027808 RLTABBDVBFAORP-SECBINFHSA-N 307.335 -0.119 30 20 DBED C[C@](CNC(=O)NCC(=O)NCC#N)(C(=O)O)c1ccccc1 593697884 HELQDNSTHIWHND-OAHLLOKOSA-N 318.333 -0.032 30 20 DBED N#Cc1nc(C2CC2)oc1N1CCN([C@@H]2CC(=O)NC2=O)CC1 593919965 BSSMJILJLFGOBK-LLVKDONJSA-N 315.333 -0.039 30 20 DBED N#Cc1ccc(S(=O)(=O)CCNCCN2CC[C@H](O)C2)nc1 600760550 KYLLDOAXMLMUQY-ZDUSSCGKSA-N 324.406 -0.617 30 20 DBED CN1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)[C@H](CO)C1 601468753 HOJPJYAKCAICPX-NSHDSACASA-N 313.354 -0.006 30 20 DBED N#Cc1cccc(CN2CCN(C(=O)C(=O)NC3CC3)CC2)n1 602444293 FJCNLNGQZNMGLQ-UHFFFAOYSA-N 313.361 -0.124 30 20 DBED CCOC(=O)CON=C(C(=O)Nn1ccnn1)c1cc[nH]n1 606445067 MIERFZFGOOALQC-UHFFFAOYSA-N 307.270 -0.945 30 20 DBED C=C(C)[C@H]1OCC[C@H]1CNC(=O)CNS(=O)(=O)N(C)C 614375595 RKCBHVCXRTZGQC-CMPLNLGQSA-N 305.400 -0.520 30 20 DBED C=CCN(C(=O)CN1CCS(=O)(=O)CC1)[C@H](C)COC 617577597 RLEHPUPWTURXKC-GFCCVEGCSA-N 304.412 -0.234 30 20 DBED Cn1c(COC(=O)c2ccc(C#N)cn2)cc(=O)n(C)c1=O 730892031 DHRBJPCNWFXSHJ-UHFFFAOYSA-N 300.274 -0.292 30 20 DBED N#Cc1ccc(C(=O)N(CCN2CCOCC2)CC(=O)O)nc1 739101437 IEHWKSODUJWYJX-UHFFFAOYSA-N 318.333 -0.188 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1C[C@@H](OCCOC)C[C@@H](CO)C1 772796501 VCFQIGUEGNKOMV-PMPSAXMXSA-N 324.421 -0.044 30 20 DBED C#C[C@@H](NC(=O)C1CCN(S(C)(=O)=O)CC1)[C@@H]1CCCO1 772896778 JZZFIRFGBSIGGR-OLZOCXBDSA-N 314.407 -0.045 30 20 DBED C#C[C@H](NC(=O)NCC(C)(C)NS(C)(=O)=O)[C@H]1CCCO1 773297303 SPSSLZCYTXDXFR-WDEREUQCSA-N 317.411 -0.206 30 20 DBED NC(=O)C1(O)CCN(C(=O)C#Cc2ccc3c(c2)OCO3)CC1 773569396 RCQDGCVSTCGJDV-UHFFFAOYSA-N 316.313 -0.394 30 20 DBED COCc1nc2n(n1)C[C@@H](NC(=O)[C@](C)(C#N)CC(=O)O)CC2 820749202 JJBZSAQSMGGSPP-XPTSAGLGSA-N 321.337 -0.140 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)C(C)(C)CC#C)CC1 831568334 GGRDZIXNJHQJLJ-UHFFFAOYSA-N 311.407 -0.352 30 20 DBED CCN(C[C@@H](C)C#N)C(=O)COC(=O)C1(S(N)(=O)=O)CC1 845205355 YZBFQMLLGXHKNJ-VIFPVBQESA-N 317.367 -0.641 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N1CC[C@H](NC(C)=O)C1 850711135 CHVQXDSQLUXUDM-ZDUSSCGKSA-N 309.366 -0.778 30 20 DBED C#CCC[C@H](O)CNS(=O)(=O)CCCN1CCN(C)CC1 867227166 XPKQKXRUULCNKL-AWEZNQCLSA-N 317.455 -0.682 30 20 DBED C#CCNS(=O)(=O)N1CCN(S(=O)(=O)CCCC)CC1 872515560 PXDPWCNLBRATFN-UHFFFAOYSA-N 323.440 -0.799 30 20 DBED C=CCNC(=O)NC(=O)CN1CCSC[C@@H]1C(=O)OC 887069982 BRKNHZYEZUNEFW-SECBINFHSA-N 301.368 -0.411 30 20 DBED CN(C)CC#CCNC(=O)c1sccc1S(N)(=O)=O 913523321 VMAFGUVWTRVHPD-UHFFFAOYSA-N 301.393 -0.310 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C2CN(CCn3cccn3)C2)CC1 941339683 YLAMIDHWFIPAMX-CQSZACIVSA-N 316.409 -0.129 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CN2CCN(C)C(=O)C2)[C@@H](C)C1 942199560 DUJFHNDUCZTCTE-LSDHHAIUSA-N 320.437 -0.390 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(NC(=O)c2cc(C(N)=O)c[nH]2)CC1 948093538 SLLYXTFTSVZWCW-VIFPVBQESA-N 317.349 -0.006 30 20 DBED C#CCN1CCOC2(CCN(C(=O)[C@@H]3CCC(=O)NC3)CC2)C1 949405692 FOTISMRIJKRIEI-CQSZACIVSA-N 319.405 -0.161 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]1CNC(=O)c1cccnc1C(N)=O 950273790 IMSTWVYRBUUBBB-ZJUUUORDSA-N 315.333 -0.329 30 20 DBED C[C@@H](C#N)C(=O)N1CC(N(C)C(=O)CN2CCCNC2=O)C1 954735037 IAVOYNQXWVGBGP-JTQLQIEISA-N 307.354 -0.769 30 20 DBED C[C@H]1C[C@@H](NC(=O)c2nnn(C)n2)CCN1C(=O)C#CC1CC1 955669070 MRPKTXCGVVOIIT-JQWIXIFHSA-N 316.365 -0.267 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H]1CNC(=O)C1CC(=O)NC(=O)C1 956187572 CGUZADVNJZTSBT-ONGXEEELSA-N 320.349 -0.694 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@](C)(NC(=O)c2cc(=O)n(C)cn2)C1 957156536 ZMTMXQIPKZQYJS-BMIGLBTASA-N 317.349 -0.339 30 20 DBED C#CCCN1C[C@@H](O)[C@@H](CNC(=O)c2ccnn2CCOC)C1 958170917 CBJBIQIKIFTHSY-DZGCQCFKSA-N 320.393 -0.425 30 20 DBED CC#CCN1C[C@@H](O)[C@H](CNC(=O)c2ccn(C)c(=O)c2)C1 958183141 LNXCPDQHIGLVSF-ZIAGYGMSSA-N 303.362 -0.569 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2ncccc2O)C1 958830019 BEUOEGWYBRGKSE-NHCYSSNCSA-N 318.333 -0.409 30 20 DBED C#CCCN1C[C@H]2C(NC(=O)[C@H]3CCc4nnn(C)c4C3)[C@@H]2C1 961600995 PVMSGMAXOZUYTB-YNEHKIRRSA-N 313.405 -0.010 30 20 DBED C=C(Cl)CN1C[C@H]2C(NC(=O)CN3CC(=O)NC3=O)[C@@H]2C1 962078241 TZZKHYXATGEJKO-RKDXNWHRSA-N 312.757 -0.663 30 20 DBED Cc1nonc1CC(=O)N1C[C@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2C1 962256775 ITFYLSFBTXUART-JLLWLGSASA-N 317.349 -0.003 30 20 DBED N#Cc1c[nH]c(C(=O)N2CCC3(CC2)C[C@H]3NC(=O)C(N)=O)c1 965035363 FMDLPCWHGTZXEC-LLVKDONJSA-N 315.333 -0.517 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1COC2(C1)CN(C(=O)COC)C2 965817753 RAIYDUKQPGHEHH-XQQFMLRXSA-N 324.377 -0.290 30 20 DBED CCN(C(=O)[C@@H]1COCCN1C)C1CN(C(=O)C#CC2CC2)C1 967887465 DEPSLBRVPVHRER-HNNXBMFYSA-N 319.405 -0.210 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@H](NC(=O)Cc2cncn2C)C1 969075893 PUAHICCGNFXZQR-OLZOCXBDSA-N 320.393 -0.137 30 20 DBED CN([C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1)[C@H]1CCNC1=O 971289256 QSQWJFMYFAGVNT-AAEUAGOBSA-N 301.350 -0.079 30 20 DBED CC#CCN1CCO[C@@]2(CCN(C(=O)[C@@H]3CN(C)C(=O)N3)C2)C1 972504563 OQYNTLCRABZROK-BBRMVZONSA-N 320.393 -0.663 30 20 DBED CC(=O)N1CCO[C@@H](C(=O)NC[C@H]2[C@@H]3CN(CC#N)C[C@H]23)C1 979019790 ZIRBGQCFWLWOFF-YIYPIFLZSA-N 306.366 -0.949 30 20 DBED C#CCN[C@@H]1CCC[C@@H](NC(=O)CN2CCN(C)C(=O)C2)C1 981181960 OMOUUSZJLCXJMX-ZIAGYGMSSA-N 306.410 -0.589 30 20 DBED C#CCCN1CCCC2(C1)CN(C(=O)Cn1cnnc1O)C2 981725385 UNYNRJFCTPDGQY-UHFFFAOYSA-N 303.366 -0.069 30 20 DBED C=C(C)CN[C@@H]1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)[C@H]1C 986332131 KILXTTVNKSGSDK-QWHCGFSZSA-N 320.393 -0.298 30 20 DBED C[C@H](C#N)C(=O)N1CCCCC[C@H](NC(=O)c2nnn(C)n2)C1 987138482 YEDDHEWKTZVXJI-MNOVXSKESA-N 319.369 -0.129 30 20 DBED C[C@@]12CN(C(=O)C(N)=O)C[C@@H]1CN(C(=O)c1cc(C#N)c[nH]1)C2 992738886 FKLGPZXZODKKLD-ZUZCIYMTSA-N 315.333 -0.708 30 20 DBED C=CCn1cc(C(=O)N2CC(NC(=O)c3ncccn3)C2)nn1 998269594 HTXSODCDXUENKG-UHFFFAOYSA-N 313.321 -0.492 30 20 DBED C=CCN1CCC(CNC(=O)[C@@H]2CCS(=O)(=O)N2)CC1 1002130895 DREZSYMWUKCZNG-LBPRGKRZSA-N 301.412 -0.308 30 20 DBED NC(=O)C(=O)N1CCC[C@@H]([C@@H]2CCN(C(=O)C#CC3CC3)C2)C1 1003175934 UBTWRALTKBKKTR-ZIAGYGMSSA-N 317.389 -0.028 30 20 DBED C#Cc1ccc(C(=O)NCC2CN(C(=O)c3ncn(C)n3)C2)cn1 1003467600 GKOYXEHAFMZOLH-UHFFFAOYSA-N 324.344 -0.307 30 20 DBED C=C(C)CCN1CCC[C@@H](NC(=O)CN2CCNC(=O)C2)C1 1008181157 CHNSOTIUSHSCAF-CQSZACIVSA-N 308.426 -0.035 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CCOC2)CC1 1010608663 VDHCETQRNIPLKB-GJZGRUSLSA-N 319.405 -0.209 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)C1 1010836343 MTCWYSSWGDAQGJ-TUAOUCFPSA-N 318.377 -0.282 30 20 DBED C#Cc1cncc(C(=O)NCC2=CCN(C(=O)C(N)=O)CC2)c1 1017721499 RBIDGQOVADLXDM-UHFFFAOYSA-N 312.329 -0.563 30 20 DBED C=CCN1CCN(C(=O)[C@H]2CCCN(C(=O)CC(N)=O)C2)CC1 1018364105 QOVXHEHGJDUVMI-ZDUSSCGKSA-N 322.409 -0.569 30 20 DBED C[C@H]1CC[C@H](NC(=O)C(N)=O)CN1C(=O)c1ccc(C#N)[nH]1 1018375031 ZKKBYIXZBVTJFP-WPRPVWTQSA-N 303.322 -0.519 30 20 DBED C#CCN[C@H]1CCN(C(=O)c2cccc(OCC(N)=O)c2)C1 1018937137 MQYOSSZHJLERGM-ZDUSSCGKSA-N 301.346 -0.012 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H](CNCc2nc(=O)n(C)[nH]2)C1 1023892980 COBXGJRDQFBWPE-QWRGUYRKSA-N 306.370 -0.404 30 20 DBED C=C(C)CN1CC[C@@H](CNC(=O)c2cn(C)c(=O)n(C)c2=O)C1 1028840467 FTIPJCZRXPXEIK-LBPRGKRZSA-N 320.393 -0.288 30 20 DBED C#CCN1CCO[C@H](CNC(=O)[C@@H]2CC(=O)N(CCC)C2)C1 1035523321 QKKFPRBJNVSGBA-ZIAGYGMSSA-N 307.394 -0.305 30 20 DBED C=CCN1CCO[C@@H](CNC(=O)c2ccc(C(N)=O)nc2)C1 1035621611 LZOLYRJYVZBQOD-LBPRGKRZSA-N 304.350 -0.203 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCN1CC(=O)NC1CC1 1038365066 ASDQGWRDEONYOE-GJZGRUSLSA-N 318.421 -0.447 30 20 DBED CCNC(=O)CC(=O)N1CC[C@@](O)(CNC(=O)C#CC(C)C)C1 1039663125 AOEDMVFPLALWEF-MRXNPFEDSA-N 323.393 -0.748 30 20 DBED C#CCCN1[C@H]2CCC[C@H]1CN(C(=O)CN1CC(=O)NC1=O)C2 1039946431 SMPSEBMXFVJCOT-STQMWFEESA-N 318.377 -0.373 30 20 DBED N#CCN1[C@H]2CCC[C@H]1CN(C(=O)c1nccnc1C(N)=O)C2 1039997877 YBPFWFJIGVYLLX-QWRGUYRKSA-N 314.349 -0.222 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)c2csc(O)n2)C1 1040770007 OWGYHXQENVJWJU-SDBXPKJASA-N 324.362 -0.298 30 20 DBED N#Cc1cncc(N2C[C@@H](O)[C@H](NC(=O)Cc3ccon3)C2)n1 1040959169 UTVYGPVITZCBMP-VXGBXAGGSA-N 314.305 -0.755 30 20 DBED C#CCC1(C(=O)N2CC(O)(CNC(=O)c3cn[nH]c3)C2)CCC1 1041663448 DXDOWXBBJVPSBR-UHFFFAOYSA-N 316.361 -0.094 30 20 DBED N#CCN1CC[C@@]2(CCN(C(=O)[C@H]3CCS(=O)(=O)N3)C2)C1 1041836033 NYEGKCIUTRAJFT-DGCLKSJQSA-N 312.395 -0.874 30 20 DBED CC#CCN1CC[C@H]2CCN(C(=O)CN3CC(=O)NC3=O)C[C@@H]21 1042273590 SXQDVKUCBNIPCP-STQMWFEESA-N 318.377 -0.516 30 20 DBED C=CCCCC(=O)N1CC(O)(CNC(=O)CCc2nc[nH]n2)C1 1042415421 DUZDXFCBQFIMEP-UHFFFAOYSA-N 321.381 -0.217 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(O)(CNC(=O)c2cn(C)cn2)C1 1042547315 PUBURXRNQBVDAQ-CQSZACIVSA-N 322.365 -0.950 30 20 DBED C=C[C@@H](C)[C@H](C)C(=O)N1CC(O)(CNC(=O)c2cn(C)nn2)C1 1042885807 SOPOSRUHJDTDSA-MNOVXSKESA-N 321.381 -0.424 30 20 DBED Cc1conc1C(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042961321 UEQNPXLKXRYWCZ-UHFFFAOYSA-N 303.318 -0.300 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)[C@H]2CC23CCC3)C1 1043075176 TZUBTDMVEIFOMT-QWHCGFSZSA-N 320.389 -0.096 30 20 DBED C=C(Cl)CN1CC(N(C)C(=O)Cn2ccc(O)nc2=O)C1 1043241476 DCNABZFUSKCHLY-UHFFFAOYSA-N 312.757 -0.156 30 20 DBED Cc1cc(C#N)nc(N2C[C@H](O)[C@H](NC(=O)c3ccc[nH]3)C2)n1 1043854963 OTXHAGFBAYVLAA-OLZOCXBDSA-N 312.333 -0.036 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)C[C@H]3CCCO3)C2)nn1 1043856817 XXEVBNSQOORKTF-UPJWGTAASA-N 317.349 -0.417 30 20 DBED C=CCCCC(=O)N1CC(O)(CNC(=O)[C@]2(C)CNC(=O)C2)C1 1043946462 WHNKXYXEWXBXIL-HNNXBMFYSA-N 323.393 -0.442 30 20 DBED N#Cc1cnccc1N1C[C@H](O)[C@H](NC(=O)Cn2ccnc2)C1 1044024305 HICPMQHDJGSGRI-OCCSQVGLSA-N 312.333 -0.484 30 20 DBED C=C[C@@H](CC)CC(=O)N1CC(O)(CNC(=O)[C@@H]2CCNC2=O)C1 1044455457 DNHREESUSXMYHC-NWDGAFQWSA-N 323.393 -0.586 30 20 DBED C#CCN[C@H]1CCN(C(=O)c2cn(C)c(=O)nc2O)[C@@H](C)C1 1044860349 IQRDOEKZQXTCTQ-QWRGUYRKSA-N 304.350 -0.298 30 20 DBED CC#CCCCC(=O)NCC1(O)CN(C(=O)c2ncccn2)C1 1044994500 UIXWDECCWFGMQZ-UHFFFAOYSA-N 316.361 -0.027 30 20 DBED C=C[C@@H](CC)CC(=O)NCC1(O)CN(C(=O)c2cn(C)nn2)C1 1045064083 KRIBTPMLPIVYDB-NSHDSACASA-N 321.381 -0.280 30 20 DBED C=C[C@@H](CC)CC(=O)NCC1(O)CN(C(=O)[C@H]2CCC(=O)N2)C1 1045064460 RVLBAZJLXIHYBG-NWDGAFQWSA-N 323.393 -0.443 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@@H]3C[C@@H]3C2)C1 1045083060 UUBXARBZQKGLDK-ITGUQSILSA-N 308.378 -0.075 30 20 DBED N#CCN1CCC2(CC1)CO[C@H](CNC(=O)[C@@H]1CNC(=O)N1)C2 1045678687 ZMFLSCCBZBIWLB-RYUDHWBXSA-N 321.381 -0.821 30 20 DBED CN(C(=O)C(C)(C)N1CCOCC1)[C@H]1CN(CC#N)C[C@@H]1O 1047566981 YFSYJGZLGUAAJS-STQMWFEESA-N 310.398 -0.876 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(C)c2OC)C1 1047609261 CXSYZEVGKLNSDT-STQMWFEESA-N 306.366 -0.431 30 20 DBED CO[C@H](C)C(=O)N(C)[C@H]1CN(C(=O)CSCC#N)C[C@@H]1O 1048415243 SCCVAPCSAWVTTH-VWYCJHECSA-N 315.395 -0.692 30 20 DBED C=C(C)C(C)(C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CC(N)=O)C1 1048612475 GKOWWOOUQIEABQ-QWRGUYRKSA-N 311.382 -0.506 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCCCN(C)C)C1 1049139609 GYYGKACZWUARHY-IHRRRGAJSA-N 324.425 -0.092 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C2(C(N)=O)CC2)C1 1049382536 NZZOUNDKAGDNRC-QWRGUYRKSA-N 323.393 -0.506 30 20 DBED C#CCCCC(=O)N1C[C@@H](C)[C@@H](CNC(=O)Cn2cnnn2)C1 1052470249 BMOAUGKEGYCVCR-OLZOCXBDSA-N 318.381 -0.313 30 20 DBED C=CCCN1CC2(C1)CN(C(=O)[C@@H]1CCN(C)C1=O)CCO2 1053382751 LQVAAEJIKBUAQT-CYBMUJFWSA-N 307.394 -0.046 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)[C@@H]3CN(C)CCO3)CO2)C1 1053766775 VOYKDWWMVRVMSJ-KBPBESRZSA-N 307.394 -0.700 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)c3cccn(C)c3=O)CO2)C1 1053985871 BPNDYBBLTHGQSA-LBPRGKRZSA-N 301.346 -0.408 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)c3cccnc3C(N)=O)CO2)C1 1054012691 GRIIZALPPPFAOD-JTQLQIEISA-N 315.333 -0.723 30 20 DBED N#Cc1nccnc1N1CCN(C(=O)c2ccc(O)nn2)CC1 1055714406 AQNYJLZWJJEGNI-UHFFFAOYSA-N 311.305 -0.194 30 20 DBED N#Cc1nccc(N2CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)n1 1055862771 KWTXMFFPODWDFD-JTQLQIEISA-N 300.322 -0.725 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]2[C@H]1CCCN2C(=O)CCNC(N)=O 1056400349 SHRPLHIWTDQZQO-UTUOFQBUSA-N 321.381 -0.204 30 20 DBED N#Cc1cncc(N[C@@H]2CCN(C(=O)[C@@H]3COCCO3)C2)n1 1056556723 IVKXHLHLWPEDJG-PWSUYJOCSA-N 303.322 -0.224 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)CCCOC 1057193875 RQPUYMXNSKZSBK-UHFFFAOYSA-N 302.371 -0.447 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)CCc1ccncn1 1057808704 ICHVAESFIXMLCB-GFCCVEGCSA-N 319.365 -0.494 30 20 DBED CCc1nn(C)cc1C(=O)N(CCO)CCNC(=O)[C@H](C)C#N 1057889083 WBQHEFZCSHBVCX-LLVKDONJSA-N 321.381 -0.307 30 20 DBED C=CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)C[C@H](C)OC 1057921406 GWGGQVXQBITOLW-STQMWFEESA-N 316.398 -0.060 30 20 DBED CN1CCOC[C@H]1C(=O)N[C@@H]1CCN(c2cnc(C#N)cn2)C1 1058318746 FPKLEKVPIDVFRP-YPMHNXCESA-N 316.365 -0.626 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCCN(CCO)C(=O)c1cnon1 1058515397 AXJWUHDVHNHJPH-PWSUYJOCSA-N 324.337 -0.789 30 20 DBED CN1C[C@H](C(=O)N[C@@H]2CCN(c3cncc(C#N)n3)C2)CC1=O 1058577556 AZMWZMQVFOSXKG-GHMZBOCLSA-N 314.349 -0.479 30 20 DBED N#Cc1nccnc1N1CCC2(CC1)C[C@@H]2NC(=O)C(N)=O 1058645390 FZHZWKMWJIAEHD-JTQLQIEISA-N 300.322 -0.691 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)Cc1cncn1C 1058655039 OPXFRJDWODPSJZ-NSHDSACASA-N 307.354 -0.941 30 20 DBED CCN1CCCC[C@@H]1C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N 1058660858 JUIGGKPZWPRLGH-UONOGXRCSA-N 324.425 -0.042 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](CCNC(=O)c2c[nH]c(=O)cn2)C1 1060286073 ITFFPJVEFKIKRH-GHMZBOCLSA-N 317.349 -0.102 30 20 DBED CNC(=O)NCCC(=O)NCC[C@@H]1CCN(C(=O)[C@H](C)C#N)C1 1060289850 TUNGADVDLSINAN-VXGBXAGGSA-N 323.397 -0.180 30 20 DBED Cc1cc(=NC[C@H]2CCCCN2C(=O)C(N)=O)c(C#N)c[nH]1 1060300560 YVWDIBHBKSAMFO-GFCCVEGCSA-N 301.350 -0.038 30 20 DBED C=CCOCC(=O)NC1(CNC(=O)[C@H]2CCCNC2=O)CCC1 1063373539 WHWGJDFUYQCDGJ-LBPRGKRZSA-N 323.393 -0.130 30 20 DBED C=CC(C)(C)C(=O)NC[C@H]1CN(C(=O)[C@H]2CCC(=O)N2)CCO1 1064976570 LRFCBUWQOACCBX-NWDGAFQWSA-N 323.393 -0.179 30 20 DBED Cn1nncc1C(=O)N1CCO[C@@H](CNC(=O)C#CC2CC2)C1 1065108167 PRIBIYLIDSPASQ-LBPRGKRZSA-N 317.349 -0.814 30 20 DBED C=CCCCC(=O)NC[C@@H]1CN(C(=O)Cn2ncnn2)CCO1 1065182691 LQSMQMZCMGNGOV-GFCCVEGCSA-N 322.369 -0.627 30 20 DBED CC(=O)NC(C)(C)C(=O)N1CCO[C@@H](CNC(=O)[C@@H](C)C#N)C1 1065349292 DRMVCJIVIMJXMS-JQWIXIFHSA-N 324.381 -0.596 30 20 DBED C=CCCC1(C(=O)N2CCO[C@H](CNC(=O)CC(N)=O)C2)CC1 1065580252 ZWCPRSGTAQUNSR-GFCCVEGCSA-N 323.393 -0.048 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H]1CN(C(=O)C(C)(C)C)CCO1 1065603008 HWFZXMIZAWPYLJ-LBPRGKRZSA-N 323.393 -0.484 30 20 DBED C[C@H]1CN(C(=O)Cn2ncnn2)C[C@H]1Nc1ccc(C#N)nn1 1067149762 WYGOWPRCOVNDIL-GXSJLCMTSA-N 313.325 -0.706 30 20 DBED C[C@H]1CN(C(=O)Cn2nccn2)C[C@H]1N=c1cc[nH]c(C#N)n1 1067154142 ZCXXTGTUCICGBI-WDEREUQCSA-N 312.337 -0.679 30 20 DBED C[C@H](C#N)C(=O)N(C)CCCN(C)C(=O)CN1CCOCC1=O 1067671882 FXDDKCQIGQRGKL-GFCCVEGCSA-N 324.381 -0.688 30 20 DBED N#Cc1nccc(N2C[C@@H]3C(CNC(=O)c4cnon4)[C@H]3C2)n1 1068180346 HNRXUQPIONYENQ-NXEZZACHSA-N 311.305 -0.157 30 20 DBED C#CCN1CCn2ncc(CNC(=O)c3cnnc(O)c3)c2C1 1069863711 GOFJGPNNOHYVJH-UHFFFAOYSA-N 312.333 -0.243 30 20 DBED Cc1nnsc1C(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1 1069895523 ZBKXVCGUGBTSMK-ZJUUUORDSA-N 318.366 -0.383 30 20 DBED C=C(C)CN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H]2COC(=O)N2)C1 1069917323 MLKDEDRZYYBRBW-WOPDTQHZSA-N 320.353 -0.696 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2nccn2CC)C1 1069918170 BWIVVLSWZVGDOK-OLZOCXBDSA-N 313.365 -0.217 30 20 DBED Cc1nccc(C(=O)N[C@@H]2CN(CC#N)C[C@@H]2n2ccnn2)n1 1070098720 OMLXZOFNCWLBEK-OLZOCXBDSA-N 312.337 -0.445 30 20 DBED N#CCN1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CCC(=O)N2)C1 1070432995 XIBQWPHUMJVENG-PWSUYJOCSA-N 316.365 -0.383 30 20 DBED N#CCN1CCOC[C@H]1c1n[nH]c(CNC(=O)[C@H]2CCOC2)n1 1070581760 JMPDVEAKCXKYCG-QWRGUYRKSA-N 320.353 -0.646 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)[C@H]4COCCO4)C[C@@]3(C1)O2 1070767196 SLONBCYHGUAKIK-DSJMHWKBSA-N 306.362 -0.663 30 20 DBED C#CCCN1C[C@@H]2OC(=O)N([C@@H]3CCN(C(=O)COC)C3)[C@@H]2C1 1070898789 CBFIEZUBDBEPPY-MCIONIFRSA-N 321.377 -0.238 30 20 DBED CC#CCN1CCNC(=O)CCN(C(=O)c2cccnn2)CC1 1071010354 HOUCGBNNSDPRLT-UHFFFAOYSA-N 315.377 -0.236 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CCCN(C(=O)c2nc[nH]n2)C1 1071092646 GSOZNOFSWWKXPH-QMTHXVAHSA-N 307.354 -0.147 30 20 DBED C=CCCCC(=O)N[C@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1C 1072162147 VOMHADZYYCOPCH-RYUDHWBXSA-N 306.370 -0.008 30 20 DBED C=CCCN1CCC2(C1)CN(C(=O)CN1C(=O)CNC1=O)C2 1073412303 KWKCMFJJVAZQKU-UHFFFAOYSA-N 306.366 -0.351 30 20 DBED C=CCCOCC(=O)N1CC[C@H](NC(=O)C(N)=O)C(C)(C)C1 1073479493 OLMZDHDRPGTKPN-NSHDSACASA-N 311.382 -0.192 30 20 DBED N#CCN1CCCO[C@H](CNC(=O)[C@@H]2CCCS2(=O)=O)C1 1073896012 IYXFHIRTQGYZJR-NEPJUHHUSA-N 315.395 -0.706 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)C3CN(C(C)=O)C3)C[C@H]21 1074225534 FQWBCQQJHBEVGG-CABCVRRESA-N 305.378 -0.600 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)c1ncoc1C 1075820649 KJKOPEAUQYZULR-JTQLQIEISA-N 320.349 -0.253 30 20 DBED C#CCN1C[C@@H]2CCN(C(=O)Cn3nnnc3C(C)C)[C@@H]2C1 1076339072 XTXAEMQXTRMKDC-QWHCGFSZSA-N 302.382 -0.038 30 20 DBED C[C@@H](CCNC(=O)c1cn(C)nn1)NC(=O)c1ccc(C#N)[nH]1 1076365414 WLXMTJPNBVVRDS-VIFPVBQESA-N 315.337 -0.047 30 20 DBED C[C@@H](CCNC(=O)c1ncn(C)n1)NC(=O)c1c[nH]c(C#N)c1 1076374051 VLBHYHWVZBGUTC-VIFPVBQESA-N 315.337 -0.047 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CN(Cc3csnn3)C[C@H]2O)[nH]1 1076898583 QBKRJJRABWIHCF-VXGBXAGGSA-N 318.362 -0.287 30 20 DBED Cc1nnc(CN2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)o1 1076907653 XMQLXKANBJRDJY-VXGBXAGGSA-N 316.321 -0.447 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)c2cccc(OCC(N)=O)c2)C1 1077088793 KQXLPUUNVLEJLG-ZIAGYGMSSA-N 319.361 -0.488 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2cccc3nc(O)[nH]c23)C1 1077152962 VQFNKLNWVMVMNH-VXGBXAGGSA-N 300.318 -0.323 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)c2cc(=O)c(OC)co2)C1 1077390341 ORUYRNHIVNDLIG-ZYHUDNBSSA-N 306.318 -0.553 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3nnn(C)c3C2)C1 1077576301 IUIPOEASDNPMRC-NJZAAPMLSA-N 317.393 -0.895 30 20 DBED C[C@@H](CCNC(=O)[C@H]1CN(C)C(=O)N1)NC(=O)C#CC1CC1 1077734658 DVZDMJSOUNWZCC-CMPLNLGQSA-N 306.366 -0.566 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H](C)CCNC(=O)c1nnn(C)n1 1077877534 RMBDKMOQAAIPIU-ZANVPECISA-N 310.358 -0.838 30 20 DBED Cn1cc(C(=O)N[C@H]2C[C@H](NCC#N)C23CCC3)n(C)c1=O 1078824183 ZUMARKSTCMQGJZ-RYUDHWBXSA-N 303.366 -0.122 30 20 DBED C=CCOCC(=O)N(CC)C1CN(C(=O)CN2CCCC2=O)C1 1079490571 VRIMISIIENSAIA-UHFFFAOYSA-N 323.393 -0.129 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@@H]1COCCN1CC(F)F 1080195979 BQNKXPVCTINMSQ-UTUOFQBUSA-N 316.352 -0.088 30 20 DBED COC[C@H](C)C(=O)N1CCC(CO)(NC(=O)[C@@H](C)C#N)CC1 1080980654 ZTXHULJNATXVEG-RYUDHWBXSA-N 311.382 -0.102 30 20 DBED Cc1nn[nH]c1C(=O)N1C[C@@H](O)[C@@H](CNC(=O)C#CC(C)C)C1 1081463756 RRTBQESZTJKREY-NWDGAFQWSA-N 319.365 -0.678 30 20 DBED O=C(CC1(O)CCC1)NC[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 1081466004 NVIRZMOWXUHRDK-KGLIPLIRSA-N 320.389 -0.360 30 20 DBED Cc1ncoc1C(=O)N1C[C@@H](O)[C@@H](CNC(=O)C#CC2CC2)C1 1081470801 GBIQYRZBAXHJFG-QWHCGFSZSA-N 317.345 -0.054 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@H]1CC(=O)N(C(C)C)C1 1081756383 DRUCKLJMUTZBCL-YNEHKIRRSA-N 308.382 -0.418 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cnc(N(C)C)cn1 1083081485 KYWJOFZZQVNMSE-UONOGXRCSA-N 315.377 -0.299 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1nc2ncccn2n1 1083228485 FEWZHJQWTIWVHA-WDEREUQCSA-N 313.321 -0.827 30 20 DBED Cn1nc(C(F)(F)F)cc1C(=O)N[C@@H]1CN(CC#N)C[C@@H]1O 1083489827 ZTZHLVRQXIGZMA-APPZFPTMSA-N 317.271 -0.263 30 20 DBED C=CCCn1cc(C(=O)N2C[C@H]3CCN(CCO)C[C@H]32)nn1 1084713349 XSKNIYJADKNMON-TZMCWYRMSA-N 305.382 -0.007 30 20 DBED N#CCN[C@H]1C[C@@H](CNC(=O)c2cc(=O)n3[nH]cnc3n2)C1 1086252950 IEQZOMLITCELGC-DTORHVGOSA-N 301.310 -0.961 30 20 DBED C=C(Cl)CN1CC[C@H](NC(=O)Cc2n[nH]c(C)n2)[C@H](O)C1 1090232934 CAOPJEALUXXXQM-WDEREUQCSA-N 313.789 -0.040 30 20 DBED CCOCCC(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1O 1090385969 PFLXHDQUKDCFNU-VXGBXAGGSA-N 305.338 -0.559 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1O 1090445274 HFCFGBCEHRWZRB-CYZMBNFOSA-N 317.349 -0.395 30 20 DBED CCNC(=O)CC(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1C 1090702993 ZBQOMBVQDJKRPK-ZYHUDNBSSA-N 316.365 -0.185 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2cnn(CCOC)c2)[C@H](O)C1 1090768023 PMYDDDKFDACIJP-LSDHHAIUSA-N 320.393 -0.282 30 20 DBED Cc1cc(N2C[C@H](O)[C@H](NC(=O)CSCC#N)C2)ncn1 1091070273 BNWKRCXUBXKXJB-MNOVXSKESA-N 307.379 -0.293 30 20 DBED CS(=O)(=O)CC(=O)NC[C@H]1C[C@H](N=c2cc[nH]cc2C#N)C1 1091428220 AEABFZBUFDJYQO-UMSPYCQHSA-N 322.390 -0.274 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)[C@H]3COC(=O)N3)c3nccn32)C1 1092366336 RHDFBMPKENTRDA-VHSXEESVSA-N 316.321 -0.913 30 20 DBED N#Cc1nccc(N2C[C@H]3C(NC(=O)CCn4cncn4)[C@@H]3C2)n1 1093213125 NJSPYSWYAXBRGW-GHMZBOCLSA-N 324.348 -0.419 30 20 DBED CC#CCN1CC(N2C[C@@H](NC(=O)[C@H]3CCOC3)CC2=O)C1 1094713994 NMJSKAOLIHHJDL-STQMWFEESA-N 305.378 -0.553 30 20 DBED Cc1ccc(C(=O)N[C@@H]2CC(=O)N(C3CN(CC#N)C3)C2)nn1 1094735545 REVYTLFNGJJYAY-LLVKDONJSA-N 314.349 -0.677 30 20 DBED C#CCCN1CC(N2C[C@H](NC(=O)[C@]3(C)CCOC3)CC2=O)C1 1094800848 DLTAMKZLGWVLQU-CXAGYDPISA-N 319.405 -0.162 30 20 DBED N#Cc1ccc(N[C@@H](CNC(=O)[C@@H]2CNC(=O)N2)C2CC2)nc1 1096801112 UWLNVIOUDXHMIB-RYUDHWBXSA-N 314.349 -0.059 30 20 DBED C[C@@H](NC(=O)C(N)=O)[C@H]1CCCN(c2cncc(C#N)n2)C1 1097548195 RJYDXPWEMAJTBL-ZJUUUORDSA-N 302.338 -0.445 30 20 DBED COC(=O)c1nc(=N[C@@H](C)CNC(=O)CSCC#N)cc[nH]1 1097674638 BRVCLKFQBSVXCD-VIFPVBQESA-N 323.378 -0.142 30 20 DBED C[C@@H](CNC(=O)[C@H]1CN(C)CCO1)N=c1cc[nH]cc1C#N 1097769023 XUFAAWSYQGUOPJ-SMDDNHRTSA-N 303.366 -0.378 30 20 DBED C#CCCCCC(=O)N[C@@H]1CCN(CC(=O)NCC)C[C@H]1O 1099785201 BTPZSMKSDZPNMM-ZIAGYGMSSA-N 309.410 -0.133 30 20 DBED CNC(=O)NCCC(=O)NCCN(C)c1ccncc1C#N 1100059008 HDTYENMKAXUSKK-UHFFFAOYSA-N 304.354 -0.175 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1CC(NCCN2CCNC2=O)C1 1100285320 FLJWSRRSFRGXKM-SEEARECTSA-N 324.425 -0.177 30 20 DBED C#CCOCCC(=O)NCC1CC(NCC(=O)NCC#N)C1 1100324973 NFVITMXWZZXWEH-UHFFFAOYSA-N 306.366 -0.850 30 20 DBED C=CCNC(=O)CNC1CC(CNC(=O)[C@@H]2CCC(=O)NC2)C1 1100471012 LFRGCHKJWPZTNB-OTTFEQOBSA-N 322.409 -0.701 30 20 DBED C#CCCNC1CC(CNC(=O)Cn2ccc(O)nc2=O)C1 1100485307 MSUAFSBXPFJBBJ-UHFFFAOYSA-N 304.350 -0.543 30 20 DBED Cc1cc(C#N)nc(N2CC[C@H](CNC(=O)CNC(N)=O)C2)n1 1100927261 CBMLSABDWPKMCT-SNVBAGLBSA-N 317.353 -0.733 30 20 DBED COC(=O)NCC(=O)NCCN(c1ccc(C#N)nn1)C1CC1 1101295466 VHYKYWIJOIXUGC-UHFFFAOYSA-N 318.337 -0.211 30 20 DBED CC[C@H](CNC(=O)COCCN(C)C)N=c1cc[nH]c(C#N)n1 1103149360 WEKUIAIIAUOBOH-GFCCVEGCSA-N 320.397 -0.345 30 20 DBED C#CCN1C[C@@H](C)[C@H](CCNC(=O)c2nnc(O)nc2O)C1 1103192377 OZHXGTGZRNBURQ-NXEZZACHSA-N 305.338 -0.396 30 20 DBED C=CCCNCc1cn(C2CN(C(=O)CC(=O)N(C)C)C2)nn1 1105340657 JNQGWCIUTSKHPF-UHFFFAOYSA-N 320.397 -0.195 30 20 DBED C#CCNCc1cn(C2CN(C(=O)[C@@H]3CCO[C@H]3C)C2)nn1 1105349415 IXADGPCAHKZUAO-SMDDNHRTSA-N 303.366 -0.191 30 20 DBED Cc1cc(C(=O)NC[C@H](O)CN=c2cc[nH]c(C#N)n2)no1 1105709475 NPEUHCDXDJBGHV-SECBINFHSA-N 302.294 -0.731 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H](O)CNC(=O)c1cc[n+]([O-])cc1 1105714852 JAMXNCBJTXHWFK-CYBMUJFWSA-N 313.317 -0.789 30 20 DBED CN1CC[C@@H](CC(=O)NC[C@@H](O)CNc2cncc(C#N)n2)C1 1105913734 HUWRIICNPLFVBX-AAEUAGOBSA-N 318.381 -0.421 30 20 DBED N#Cc1cccnc1NC[C@H](O)CNC(=O)Cn1nccn1 1105984930 CZDQSFKAUXOUMO-LLVKDONJSA-N 301.310 -0.866 30 20 DBED C[C@@H]1CN(C(=O)c2ccn(C)c2)C[C@H]1CNCC(=O)NCC#N 1106005711 CISIIRHWTMYAHJ-TZMCWYRMSA-N 317.393 -0.037 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)c2n[nH]cc2C)C[C@H]1C 1106095847 NEJGROWJNSUJKK-CHWSQXEVSA-N 317.393 -0.235 30 20 DBED CCN(CCNc1nccnc1C#N)C(=O)[C@@H]1CCNC1=O 1106909555 LVFLVSNAOCYLNV-SNVBAGLBSA-N 302.338 -0.255 30 20 DBED CC#CCN1CC(n2cc(CNC(=O)Cc3cc[nH]n3)nn2)C1 1107150367 KNQXCAMMIUVQFZ-UHFFFAOYSA-N 313.365 -0.260 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@]1(C)CN(CCC=C)CCO1 1107885280 UWOXZMMDIDQGRP-INIZCTEOSA-N 307.394 -0.091 30 20 DBED C=CCN1CCO[C@](C)(CNC(=O)c2nnc(O)nc2O)C1 1108051092 FBFLOSGZFBDFTI-CYBMUJFWSA-N 309.326 -0.711 30 20 DBED C[C@@]1(CNC(=O)c2ccc(C(N)=O)o2)CN(CC#N)CCO1 1108063941 ZAXZWFJZTGESLP-CQSZACIVSA-N 306.322 -0.277 30 20 DBED C[C@H]1C[C@@H]1C(=O)NC[C@@]1(C)CN(CC(=O)NCC#N)CCO1 1108133574 BJQNKOIKMKYMBT-HUBLWGQQSA-N 308.382 -0.511 30 20 DBED CNC(=O)CCCC(=O)N[C@@H](C)CN=c1cc[nH]c(C#N)n1 1108322521 VGPWUQMUFXBGJB-JTQLQIEISA-N 304.354 -0.397 30 20 DBED CCc1nc(C#N)cc(NC[C@H](C)NC(=O)[C@H]2COC(=O)N2)n1 1108360282 SUPQFWZUQNUEFV-WCBMZHEXSA-N 318.337 -0.064 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)CNC(=O)CCC)CC2=O)C1 1108515759 PKGTWMIHKXAWLG-LBPRGKRZSA-N 322.409 -0.510 30 20 DBED C=CCCCN1CC(N2C[C@@H](NC(=O)c3nc[nH]n3)CC2=O)C1 1108580040 AJPICYZKPVAKFF-NSHDSACASA-N 318.381 -0.214 30 20 DBED C[C@H](CN(C)c1cncc(C#N)n1)NC(=O)c1ncn(C)n1 1108932574 BUIKIXQCZUDQKH-SECBINFHSA-N 300.326 -0.269 30 20 DBED Cc1nc(CC(=O)N[C@H](C)CN(C)c2cncc(C#N)n2)n[nH]1 1108955872 VCTURARXMFXWIX-SECBINFHSA-N 314.353 -0.042 30 20 DBED C[C@@H](CN(C)c1ncccc1C#N)NC(=O)CCNC(N)=O 1108961714 LHGHIWWVBSAIHR-JTQLQIEISA-N 304.354 -0.047 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H](C)OCC 1108963563 JPLSFSZEBQJTJL-CRWXNKLISA-N 307.394 -0.118 30 20 DBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN(C)C(C)=O 1110304071 LJMUSLUTLNNQNE-MCIONIFRSA-N 322.409 -0.512 30 20 DBED C#CCCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CNS(=O)(=O)CC 1110620763 SAACBUHXURCNFC-UPJWGTAASA-N 313.423 -0.330 30 20 DBED C#CCN(C(=O)C(N)=O)C1CCN(c2cnc(F)cn2)CC1 1110628486 DDXLHVLGTRUMBB-UHFFFAOYSA-N 305.313 -0.468 30 20 DBED N#Cc1ccc(N2CC[C@](O)(CNC(=O)c3cnon3)C2)nc1 1111091348 PFVYCLZZHQWTEL-AWEZNQCLSA-N 314.305 -0.293 30 20 DBED Cn1ccc(C(=O)N(CCO)CCN=c2cc[nH]cc2C#N)n1 1111476595 RPXVGWYWPDMPLN-UHFFFAOYSA-N 314.349 -0.345 30 20 DBED CC[C@H](C(=O)N(CCO)CCN=c1cc[nH]cc1C#N)N(C)C 1111492757 OGIYREWTXYGZLM-OAHLLOKOSA-N 319.409 -0.052 30 20 DBED N#Cc1ccc(NCCN(CCO)C(=O)c2cccnn2)nn1 1111500915 AJPQNQAOZFWPAU-UHFFFAOYSA-N 313.321 -0.315 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H]1COCCN1c1ncc(F)cn1 1111700020 HNMDKQJMVWHTFG-DGCLKSJQSA-N 322.340 -0.025 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@@H]2CCC[C@]2(CNCC(N)=O)C1 1112350008 DKHQKIMFQAFFMN-WWGRRREGSA-N 307.394 -0.272 30 20 DBED C[C@H](NC(=O)CS(C)(=O)=O)[C@H](C)Nc1cnc(C#N)cn1 1112926051 OFWIAGCEPQVRDZ-IUCAKERBSA-N 311.367 -0.302 30 20 DBED CO[C@@H]1CCC[C@@H](C(=O)N2CCN(CC(=O)NCC#N)CC2)C1 1113270258 IEZXANVTRSIZFY-ZIAGYGMSSA-N 322.409 -0.024 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)C3=COCCO3)[C@H]2C1 1113805555 GEGDADATORDDNW-NMKXLXIOSA-N 319.361 -0.941 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)CSCC#N)[C@@H]2C1 1113890932 JPBZBAIKNYKOMY-GHMZBOCLSA-N 306.391 -0.961 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)c3cncs3)[C@@H]2C1 1113945508 VBWPWUZORSWZPR-NXEZZACHSA-N 304.375 -0.448 30 20 DBED C=CCOCC(=O)N[C@H]1[C@@H]2CN(Cc3nc(COC)no3)C[C@@H]21 1114051250 RJOKYYOAVZDFMG-HBYGRHMLSA-N 322.365 -0.035 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)c3n[nH]c(C)c3C)[C@H]2C1 1114060591 MBHQRWIBHYBVMD-RYUDHWBXSA-N 317.393 -0.011 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1[C@@H]2CN(Cc3coc(C)n3)C[C@@H]21 1114160391 XHOWHUHGIMKUSA-VIKVFOODSA-N 316.361 -0.331 30 20 DBED C=C[C@](C)(O)CC(=O)NC1[C@H]2CN(CC(=O)N(C)C3CC3)C[C@H]12 1114189156 KARNRWGFRXSCRJ-DCGLDWPTSA-N 321.421 -0.019 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)[C@H]3CN(C)C[C@@H](C)O3)[C@@H]2C1 1114453256 KSCJLSSPVNDCCO-KBUPBQIOSA-N 321.421 -0.598 30 20 DBED N#Cc1cccnc1N1C[C@@H]2C(CNC(=O)Cn3ncnn3)[C@H]2C1 1114574991 OWVMOSLKNYJRHU-CHWSQXEVSA-N 324.348 -0.562 30 20 DBED N#CCNC(=O)CN1C[C@H]2C(NC(=O)C3CC4(CC4)C3)[C@@H]2C1 1114819979 YDIZGZRVDWFXOV-VXGBXAGGSA-N 302.378 -0.137 30 20 DBED COCC#CCN1C[C@@H]2C(NC(=O)Cc3cncn3C)[C@H]2C1 1115121196 MRJVULJTFJPNPH-KBPBESRZSA-N 302.378 -0.341 30 20 DBED C[C@H](CN(C)C(=O)CCn1cnnn1)Nc1nccnc1C#N 1115808524 HJJRWWHJABIXKV-SNVBAGLBSA-N 315.341 -0.316 30 20 DBED COCCc1ccccc1NC(=O)C(=O)NCC(=O)NCC#N 1117414892 HHZVUQNTSMRLSW-UHFFFAOYSA-N 318.333 -0.430 30 20 DBED C#CCN(C(=O)C(=O)N1C[C@@H](O)C[C@H](C(=O)OC)C1)C(C)C 1120497699 KEDGQOZZZAJIPX-RYUDHWBXSA-N 310.350 -0.761 30 20 DBED COC(=O)c1nc(=N[C@@H](CO)CNC(=O)C#CC(C)C)cc[nH]1 1121527406 BBXKBVXMYTZCDO-LLVKDONJSA-N 320.349 -0.767 30 20 DBED C=CCCOCC(=O)NC[C@H](CO)Nc1cncc(C#N)n1 1121749603 QHBMESSNKRAJQK-GFCCVEGCSA-N 305.338 -0.170 30 20 DBED C#CCOCCC(=O)NC[C@@H](CO)Nc1nccnc1C#N 1122029392 SZPALLACGLITIV-NSHDSACASA-N 303.322 -0.723 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)COCC(F)F)nn1 1122253121 CEBDDGWMPBHUDT-VIFPVBQESA-N 315.280 -0.481 30 20 DBED CC[C@H](NC(C)=O)C(=O)NC[C@H](CO)Nc1ccc(C#N)nc1 1122645234 YDRRPQPXCXUUKJ-KGLIPLIRSA-N 319.365 -0.243 30 20 DBED C[C@H]1C[C@H](Nc2ccc(C#N)nn2)CN1C(=O)CCNC(N)=O 1123230277 HQOIGUHNRKPQHC-ONGXEEELSA-N 317.353 -0.192 30 20 DBED CC1(C)CN(C(=O)CNC(N)=O)C[C@H]1Nc1nccnc1C#N 1123901016 HQDOPQKKWNDCGT-SNVBAGLBSA-N 317.353 -0.335 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)CNC(=O)C2CC2)C1=O 1124107798 DFZVNCOZNNHPLF-LBPRGKRZSA-N 308.382 -0.995 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C[C@@H](O)CNc1ccc(C#N)nn1 1124520877 XDWNTQJFTFKDBL-YPMHNXCESA-N 317.349 -0.382 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)[C@@H]1C[C@@H]1C(=O)OC 1124662699 NPUSHCYCPKRJGR-NEPJUHHUSA-N 324.381 -0.737 30 20 DBED C#CCOCCC(=O)N(C)C[C@@H](O)CN(C)c1ncc(F)cn1 1125162272 QFLDLAUCZNFQQD-CYBMUJFWSA-N 324.356 -0.089 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)CNC(=O)CC)CC[C@@H]1C 1131911396 HLTXITZASFCOPV-STQMWFEESA-N 322.409 -0.769 30 20 DBED C[C@H]1CC[C@@H](NC(=O)c2cnn(C)n2)CN1CC(=O)NCC#N 1132345368 QBZVMMDQLIMALB-WDEREUQCSA-N 319.369 -0.962 30 20 DBED C[C@H]1CCN(C(=O)Cn2c(O)nnc2O)C[C@@H]1CNCC#N 1133270507 JNCKKRCKUJXJAC-UWVGGRQHSA-N 308.342 -0.713 30 20 DBED C#Cc1ccc(C(=O)NCCN[C@H]2CCC(=O)NC2=O)nc1 1148370361 ULGTUODLFSCVTN-LBPRGKRZSA-N 300.318 -0.813 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1cccnc1OCC 1149630071 DOMBOWINYVDPCY-LBPRGKRZSA-N 318.377 -0.062 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)CCc1cn[nH]c1 1155719134 WTFZYXQHDFAIRI-GFCCVEGCSA-N 320.397 -0.191 30 20 DBED C=CCNC(=O)CN(CC)[C@H](C)CNC(=O)C1(C(=O)NC)CC1 1155819421 FQPATJFJDMBQSY-GFCCVEGCSA-N 324.425 -0.359 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)[C@@H](C)n2cncn2)C1=O 1156798950 HIUBKNXTIPTEHC-OLZOCXBDSA-N 320.397 -0.278 30 20 DBED C#CCNC(=O)CC(=O)NCCCN[C@H](C)c1nc(C)no1 1156857571 VRGHEOREIWHPJO-SNVBAGLBSA-N 307.354 -0.326 30 20 DBED CNC(=O)NC(=O)[C@H](C)NCC1(CCNC(=O)[C@@H](C)C#N)CC1 1163840716 JNMYTVZLNKKXML-QWRGUYRKSA-N 323.397 -0.134 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)C1(CN(C)C)CC1 1165269933 AFQXDKBKSCUXDY-ZDUSSCGKSA-N 308.426 -0.438 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)c1cccc(=O)n1C 1166354714 FKSIJFSRVQBUHH-LBPRGKRZSA-N 320.393 -0.215 30 20 DBED C#CCNCCCC[C@@H](C)NC(=O)CNC(=O)Cn1cncn1 1176739564 WSJRLBMALCVMLN-CYBMUJFWSA-N 320.397 -0.708 30 20 DBED C=CCNC(=O)CNCCCNC(=O)CCc1cnn(C)c1 1176871703 YSKXIYLLDSIAIH-UHFFFAOYSA-N 307.398 -0.249 30 20 DBED C#CCOCCC(=O)N1CC[C@H](NCCn2cncn2)[C@@H]1C 1178684672 FULBVRQTKMKISC-KBPBESRZSA-N 305.382 -0.103 30 20 DBED C=CCO[C@H](C)C(=O)N1CC[C@H](NCc2nnn(C)n2)[C@@H]1C 1180269667 WEFYKDGEQSKFIU-TUAOUCFPSA-N 308.386 -0.120 30 20 DBED COCC#CCNC[C@]1(C)CN(C(=O)[C@H]2CNC(=O)N2)C[C@H]1C 1182422379 SKMSIPFNUGCMKS-XJKCOSOUSA-N 322.409 -0.608 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 1185685222 YOVHZCQIPLXDAF-FRRDWIJNSA-N 322.409 -0.619 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H]2CCN(C(=O)c3cocn3)[C@@H]2C1 1187253882 AYFDNFYPOLEXTE-MBNYWOFBSA-N 316.361 -0.041 30 20 DBED C#CCN1C[C@@H]2CCN(C(=O)[C@@H](CCC)S(N)(=O)=O)[C@@H]2C1 1188663967 GLQAVQHKHYMMLB-YNEHKIRRSA-N 313.423 -0.391 30 20 DBED C=C(C)CN1C[C@@H]2CCN(C(=O)CNS(=O)(=O)NC)[C@@H]2C1 1188724209 OQRNREYJRYLCJN-NWDGAFQWSA-N 316.427 -0.851 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](N(C)CCN(C)S(C)(=O)=O)C1 1189390621 SCWSKAZSLKBIKA-RYUDHWBXSA-N 316.427 -0.430 30 20 DBED C#CCN(C)[C@H]1CCN(C(=O)[C@H](CCC)S(N)(=O)=O)C1 1191550279 AWSHXTPMVMLRHD-RYUDHWBXSA-N 301.412 -0.391 30 20 DBED COCC#CCN(C)[C@@H]1CCN(C(=O)c2ccc(C(N)=O)[nH]2)C1 1192377503 LZZJVFCLLLGFQK-GFCCVEGCSA-N 318.377 -0.090 30 20 DBED CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(CC#CCOC)C[C@H]2O)CCN1C 1193085775 OHRJWNCTUPJCOM-ZJIFWQFVSA-N 323.437 -0.472 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1CN(CCN2CCCC2=O)C[C@H]1O 1195312981 ZOBQKBNSHCYLBN-CHWSQXEVSA-N 309.410 -0.018 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)COCc2ncnn2C)C1 1197365369 CBOURPRIROOLDC-VXGBXAGGSA-N 309.370 -0.931 30 20 DBED C#CCNC(=O)CNC[C@H]1CN(C(=O)[C@H]2CCCO2)CCCO1 1199762677 OEQZDFGDJSVGBL-UONOGXRCSA-N 323.393 -0.878 30 20 DBED C[C@H](NC1CCN(C(=O)C#CC2CC2)CC1)C(=O)NC(N)=O 1200461777 JHEAOBAOZIXZGR-JTQLQIEISA-N 306.366 -0.436 30 20 DBED C=CCNC[C@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)CCCO1 1201394902 BHPFPEOXOHFJAL-RWMBFGLXSA-N 311.382 -0.588 30 20 DBED COCC#CCN[C@H]1C[C@H]2CC[C@H]1N(C(=O)CCNC(N)=O)C2 1204957817 RBZMXHNJIRMFAL-HZSPNIEDSA-N 322.409 -0.336 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)COCC=C)[C@H](C)C1 1206578826 FAKOIMSLPCEJFB-MGPQQGTHSA-N 307.394 -0.237 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN([C@H](C)C(=O)NC(N)=O)C[C@H]1C 1206957906 QZHRHMYTUMOSSN-IJLUTSLNSA-N 324.381 -0.954 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@H](C)n2cccn2)C1 1207422656 ZZEPXJPBKLUGSR-UONOGXRCSA-N 317.393 -0.226 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)c2ccnc(O)c2)C1 1207789517 KOEKNLFLARPLFM-CYBMUJFWSA-N 316.361 -0.269 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC[C@@H](NCc2cnnn2C)C1 1208017818 GADBBKAWXAWNIG-QWHCGFSZSA-N 305.382 -0.066 30 20 DBED C=C(C)CN[C@@H]1CCCN(C(=O)[C@H](CCC(N)=O)NC(C)=O)C1 1210154402 KYVITNRSVPUPCB-KGLIPLIRSA-N 324.425 -0.087 30 20 DBED C#CCCCCC(=O)N[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1OC 1212146183 LAQGDUBLFACMFV-VXGBXAGGSA-N 324.381 -0.810 30 20 DBED CC#CCN1C[C@@H](NC(=O)CCN2CCCC2=O)[C@H](OC)C1 1213869804 LBFDVKFXHUACQZ-ZIAGYGMSSA-N 307.394 -0.162 30 20 DBED C#CCN1C[C@@H](NC(=O)CS(=O)(=O)CCC)[C@H](OC)C1 1213874233 KMBPMTOIAGZBCN-VXGBXAGGSA-N 302.396 -0.740 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@@H](NCCn2cncn2)[C@H](C)C1 1214604525 FFNLHUYFPZNYEC-MGPQQGTHSA-N 305.382 -0.247 30 20 DBED CC#CCN[C@@H]1CN(C(=O)[C@H](C)NS(C)(=O)=O)C[C@H]1C 1215685026 MPHMMZYEJKWUSB-GRYCIOLGSA-N 301.412 -0.616 30 20 DBED C#CCCCCC(=O)N1CCO[C@@H]2CN([C@@H]3CCNC3=O)C[C@@H]21 1217669634 NFZFJRZORLYBNU-QLFBSQMISA-N 319.405 -0.020 30 20 DBED C=C[C@](C)(CC)C(=O)N[C@@H]1CN(Cc2nnn(C)n2)C[C@@H]1O 1220291903 KBOYRCNWSHXDOR-UHIISALHSA-N 308.386 -0.526 30 20 DBED C[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H]1CN(CC#N)C[C@@H]1O 1220912669 OKGRYXJLFKAJQN-YUTCNCBUSA-N 316.361 -0.510 30 20 DBED C=CCNC(=O)CN1CC[C@@H]2CN(C(=O)[C@H]3CCCN3C)[C@@H]2C1 1221446775 UTCIUDFJQMXWBP-RBSFLKMASA-N 320.437 -0.085 30 20 DBED C=CCO[C@H](C)C(=O)N1CCC[C@@H](NCc2nnn(C)n2)C1 1222067874 MWNYBRRGYHBVND-VXGBXAGGSA-N 308.386 -0.118 30 20 DBED N#CCNC(=O)CN1CCC(NC(=O)[C@@H]2C[C@@]23CCOC3)CC1 1229927753 YIKMGPNGGUPPIJ-XJKSGUPXSA-N 320.393 -0.367 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)c1[nH]c(O)nc1C 1235603091 STLMYKORLYNQPM-LLVKDONJSA-N 319.365 -0.681 30 20 DBED C=C(C)CN(C)C(=O)C(=O)N1CCC[C@@H](n2cc(CO)nn2)C1 1261772490 ZJNFWEJKTXYCCI-CYBMUJFWSA-N 321.381 -0.032 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCN(C(=O)C(C)(C)C)CC1 1323027305 PHPGFLUWMHRZIL-UHFFFAOYSA-N 323.393 -0.531 30 20 DBED CC1(C)CN(C(=O)C(=O)N2CC[C@@](F)(C#N)C2)C[C@H](CO)O1 1325808451 GHDBWMWKUZMQBK-QMTHXVAHSA-N 313.329 -0.551 30 20 DBED CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)CCCC#N 1330103916 KNEGWFYJKHRQJM-LLVKDONJSA-N 315.395 -0.168 30 20 DBED C=C[C@H](CO)NC(=O)C(=O)Nc1nn(CCCOC)cc1C 1330494827 DKJQBPXVSXZEAZ-LLVKDONJSA-N 310.354 -0.170 30 20 DBED C=CCn1c(CCc2nn[nH]n2)nnc1N1CC(C)(OC)C1 1339501716 VHPXZPJMPXAYII-UHFFFAOYSA-N 304.358 -0.013 30 20 DBED C=C(C)Cn1nnnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1340221092 CXGLILUDNSXOJU-UHFFFAOYSA-N 321.385 -0.578 30 20 DBED COCCCNC(=O)[C@H](C#N)C(=O)c1cnc(C(=O)OC)cn1 1342585659 YMAHTOIMDYGNIF-SECBINFHSA-N 320.305 -0.262 30 20 DBED C[C@H](Cn1cccn1)NC(=O)Cn1cc(C#N)c(O)nc1=O 1362092069 SHIYRKZHQVEXSH-SECBINFHSA-N 302.294 -0.778 30 20 DBED C[C@H]1C[C@@H](CNC(=O)Cn2cc(C#N)c(O)nc2=O)CCO1 1362555005 KCNNVYQBCWAAJC-UWVGGRQHSA-N 306.322 -0.248 30 20 DBED N#Cc1cn(CCNC(=O)CC[C@H]2CCOC2)c(=O)nc1O 1362684890 ARHCZUWNPTWWKB-JTQLQIEISA-N 306.322 -0.247 30 20 DBED C[C@H]1COC[C@@H]1NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1363616818 UMBKYFKXUOSJNB-GWCFXTLKSA-N 323.374 -0.012 30 20 DBED CCc1nn(C)c(OC)c1CNc1[nH]c(=O)n(C)c(=O)c1C#N 1364555267 DNZSCWPTIKBSPV-UHFFFAOYSA-N 318.337 -0.138 30 20 DBED COC[C@H](O)CNC[C@@H](NC(=O)c1cc(C#N)c[nH]1)C1CC1 1375219725 QTTGEZIQOACTMZ-TZMCWYRMSA-N 306.366 -0.008 30 20 DBED CCCS(=O)(=O)CC(=O)N1CC[C@H](NC(=O)[C@@H](C)C#N)C1 1386061550 JWYOHLGOSSRATF-QWRGUYRKSA-N 315.395 -0.312 30 20 DBED C[C@@H](CNC(=O)c1ccc(C#N)[nH]1)NC(=O)CN1CCOCC1 1386224503 LQZNUGDJURYZBH-NSHDSACASA-N 319.365 -0.547 30 20 DBED C=C(Cl)CN1CC(CNC(=O)CCS(=O)(=O)NC)C1 1391484719 XBWSSPDGRFIJAU-UHFFFAOYSA-N 309.819 -0.274 30 20 DBED C[C@H](C#N)C(=O)NCC(C)(C)CN(C)C(=O)[C@@H]1COC(=O)N1 1395012898 IJNIVTPDVBDBTE-ZJUUUORDSA-N 310.354 -0.145 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CN(C)C(=O)c1ccc(F)cn1 1405587927 PBNWSASBNGPSAC-GXSJLCMTSA-N 308.313 -0.071 30 20 DBED COCCN(CCNC(=O)c1ccncn1)C(=O)[C@@H](C)C#N 1413531990 ZDGFDVFMXUGPRH-NSHDSACASA-N 305.338 -0.159 30 20 DBED COc1cc(OC)nc(C(=O)N2CC(NC(=O)[C@@H](C)C#N)C2)n1 1416047982 VVYOGYSKIZLAPG-QMMMGPOBSA-N 319.321 -0.406 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]1CNC(=O)CCN1CCCC1=O 1417026744 SAUCECJILISOAC-VXGBXAGGSA-N 306.366 -0.124 30 20 DBED C[C@@H](CNC(=O)Cn1cncn1)N(C)C(=O)c1c[nH]c(C#N)c1 1424318988 WMIGPUDVYDKRST-JTQLQIEISA-N 315.337 -0.245 30 20 DBED Cn1cc(NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)c(C(N)=O)n1 1426243457 NBVGNKCHKQYKTF-SNVBAGLBSA-N 317.353 -0.277 30 20 DBED CCCN(CCNC(=O)CS(=O)(=O)CC)C(=O)[C@@H](C)C#N 1431805673 NBRJHOHBFNOUAW-NSHDSACASA-N 317.411 -0.064 30 20 DBED CC(C)N1CC[C@@H](CNC(=O)Cn2cc(C#N)c(O)nc2=O)C1 1433632483 SGNLQDOGFXHBAT-NSHDSACASA-N 319.365 -0.333 30 20 DBED C[C@@H](CNC(=O)CCc1nc[nH]n1)NC(=O)c1cc(C#N)c[nH]1 1452767256 ZPPUSOHZBLOVFS-VIFPVBQESA-N 315.337 -0.128 30 20 DBED CCN(CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)C(=O)[C@H](C)C#N 1455685833 UDFUCTAQXQTJCJ-OUAUKWLOSA-N 310.354 -0.856 30 20 DBED C[C@H]1CN(CCNc2[nH]c(=O)n(C)c(=O)c2C#N)[C@H](C)CO1 1472828147 BLLOJGMUEGWEEG-ZJUUUORDSA-N 307.354 -0.534 30 20 DBED CC(C)[C@@H](C(=O)NC[C@@H]1CCCN1CC(=O)NCC#N)N(C)C 1493108391 AWGIIUNYBXAJEF-ZFWWWQNUSA-N 323.441 -0.207 30 20 DBED COc1ncc(C(=O)N2CC(CNC(=O)[C@H](C)C#N)C2)cn1 1498678675 SVTKQTYTXFAZMP-SECBINFHSA-N 303.322 -0.167 30 20 DBED C#CCN1CCN(c2nnc(CO)n2C[C@@H]2CCOC2)CC1 1516207213 UCUNMXDRCJACSY-ZDUSSCGKSA-N 305.382 -0.438 30 20 DBED Cc1ocnc1C(=O)NC[C@@]1(O)CCN(C(=O)[C@@H](C)C#N)C1 1537312583 JREDRKBEUPMWHO-XPTSAGLGSA-N 306.322 -0.164 30 20 DBED C#CCN(Cc1cnn[nH]1)C(=O)c1cc2c(=O)[nH]c(C)cn2n1 1574938272 VWNZJBCHJACVDG-UHFFFAOYSA-N 311.305 -0.275 30 20 DBED N#Cc1cc(C(=O)NCCOCCCNCc2cnn[nH]2)c[nH]1 1577712381 KYFLCNQXXBPVSQ-UHFFFAOYSA-N 317.353 -0.069 30 20 DBED N#Cc1ccc(CNC(=O)[C@H]2CCCN(CCN)C2=O)nc1 1580065209 BULKKYPXINLTAC-CYBMUJFWSA-N 301.350 -0.233 30 20 DBED C#CCC1(O)CCN(C(=O)C(=O)N2CCC[C@H](C(=O)O)C2)CC1 1588392218 VLFDNKKAJDMHKW-LBPRGKRZSA-N 322.361 -0.314 30 20 DBED C#CCN(C(=O)NC/C=C(/C)C(=O)O)[C@@H]1CCS(=O)(=O)C1 1588460320 XWKSRCDIBSGBCZ-NEOSZVFXSA-N 314.363 -0.151 30 20 DBED C#CCN1CCC(NC(=O)NCCn2cc(C(=O)O)nn2)CC1 1588476634 PGRKAWWOHLDGDJ-UHFFFAOYSA-N 320.353 -0.627 30 20 DBED C=CCCn1cc(C(=O)N2CC(=O)N(C)C[C@H]2C(=O)O)nn1 1588817612 PNIXYDAKDZVPKZ-JTQLQIEISA-N 307.310 -0.778 30 20 DBED CCc1nc(NCCNC(=O)[C@H](C)C#N)cc(-c2nn[nH]n2)n1 1590921330 YFQZSOFOMRLPOG-MRVPVSSYSA-N 315.341 -0.093 30 20 DBED N#CCCN(CCN1CCOCC1)C(=O)c1cc(C(=O)O)n[nH]1 1594610393 QQDPADHJSJMQCL-UHFFFAOYSA-N 321.337 -0.204 30 20 DBED CC[C@@]1(C)NC(=O)N(CC(=O)N(CC#N)CCC(=O)O)C1=O 1595371440 DPTQWULBPPHSAB-CYBMUJFWSA-N 310.310 -0.466 30 20 DBED C[C@H]1CN(C(=O)C(=O)N2CCO[C@](C)(C#N)C2)C[C@]1(C)C(=O)O 1599910771 GQEXTWLHXLUBGZ-VQISRLSMSA-N 323.349 -0.303 30 20 DBED Cc1cc(C#N)cnc1C(=O)N1CCNC(=O)[C@H]1CC(=O)O 1600076253 QDYRIKAOSYXBQA-SNVBAGLBSA-N 302.290 -0.323 30 20 DBED N#Cc1nc(=N[C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3C(=O)O)C2)cc[nH]1 1601134043 FNWKPTWQOFIVQJ-LMLFDSFASA-N 315.333 -0.202 30 20 DBED C#CCN(CC(=O)O)C(=O)C(=O)Nc1cncc(OC(C)C)n1 1602678817 HEQPAUWPKYRSKQ-UHFFFAOYSA-N 320.305 -0.251 30 20 DBED C=CCN1CC[C@@H](OC(=O)[C@@H]2CCCN(CC(=O)O)C2=O)C1=O 1602723131 NVLMJGOKVWHUQH-GHMZBOCLSA-N 324.333 -0.360 30 20 DBED CC(C)(C(=O)O)n1ccc(NC(=O)NCC(=O)NCC#N)n1 1602839512 XGPWKWBJZACDLP-UHFFFAOYSA-N 308.298 -0.536 30 20 DBED Cc1cc(NC(=O)C(=O)NCCOCC(=O)O)nn1CCC#N 1607673087 HVOXEXCCFNHXIA-UHFFFAOYSA-N 323.309 -0.739 30 20 DBED N#CCC1(CNC(=O)C(=O)N2CCO[C@H](CC(=O)O)C2)CC1 1608177847 FVLLVZCUECICHY-SNVBAGLBSA-N 309.322 -0.501 30 20 DBED C#CCNC(=O)COC(=O)c1ncc(-c2nn[nH]n2)cc1C 1609021125 FLFMPMCARMJGBG-UHFFFAOYSA-N 300.278 -0.524 30 20 DBED C=CCN1CC[C@@H](N(C)S(=O)(=O)C[C@@H](C)C(=O)O)C1=O 1609373813 REZDMEWPVDSEQI-NXEZZACHSA-N 304.368 -0.244 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)c2nccc(C)n2)C1 1690225137 XZFSPPXRWCHSKM-STQMWFEESA-N 315.377 -0.273 30 20 DBED CN(CC(=O)NCC#N)C[C@H]1CCCN1C(=O)C[C@H]1CCOC1 1725099171 KVKQLDVTRJWKMY-ZIAGYGMSSA-N 322.409 -0.024 30 20 DBED C=CCNC(=O)CN[C@H](CNC(=O)c1cnc(O)n1C)C1CC1 1752474142 WEXFUHMLFLYRTM-LLVKDONJSA-N 321.381 -0.474 30 20 DBED C=CCCC(=O)N[C@H]1C[C@H](NCC(=O)N[C@@H](C)C(=O)N(C)C)C1 1752620017 PEKBMCQTJPXCET-AVGNSLFASA-N 324.425 -0.218 30 20 DBED C=CCNC(=O)NC(=O)CN[C@H]1C[C@@H](NC(=O)[C@H]2CCCO2)C1 1752713961 ZQZMDUATOOQWAU-GRYCIOLGSA-N 324.381 -0.586 30 20 DBED C#CCCCCC(=O)N[C@H]1C[C@@H](NCCN2C(=O)CNC2=O)C1 1752751876 QZDIBFOQLVGHHK-BETUJISGSA-N 320.393 -0.031 30 20 DBED CC#CCNC[C@H]1CCCN(C(=O)CN(C)C(=O)COC)C1 1752798625 FBRQPWQKNIDTFN-CQSZACIVSA-N 309.410 -0.057 30 20 DBED CNC(=O)C1(C(=O)N2CCC[C@H](CNCC#CCOC)C2)CC1 1752810075 ZTSFOWFGJPGAQF-CQSZACIVSA-N 321.421 -0.009 30 20 DBED COc1ccc(C(=O)NC[C@H](C)NCC(=O)NCC#N)cn1 1752886896 LWLBVVJFFZLEMI-JTQLQIEISA-N 305.338 -0.562 30 20 DBED C=CCNC(=O)NC(=O)CNC[C@H]1CCN(C(=O)COC)C1 1752927907 YDINGKDOIFINQN-LLVKDONJSA-N 312.370 -0.917 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC[C@H](CNC(=O)CNC(=O)CC)C1 1753124628 SBUUFZTYFRQEED-CHWSQXEVSA-N 324.425 -0.359 30 20 DBED COCC#CCNCCN(C)C(=O)c1nnn(C(C)(C)C)n1 1753191373 YOSXTQNQKXNUMR-UHFFFAOYSA-N 308.386 -0.261 30 20 DBED N#CCNC(=O)CN1CC(CNC(=O)C[C@H]2CCCCO2)C1 1753399262 CZHIIUNSSSDDLY-CYBMUJFWSA-N 308.382 -0.367 30 20 DBED C[C@H](CNCCNS(C)(=O)=O)NC(=O)C#CC(C)(C)C 1754225177 MVFCCFQHMCAYPD-LLVKDONJSA-N 303.428 -0.321 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2cnccn2)[C@@H](C)C1 1754588727 AZDYEAYMLNWIKE-STQMWFEESA-N 315.377 -0.191 30 20 DBED C=CCNC[C@@H]1CN(C(=O)C[C@@H]2CCS(=O)(=O)C2)CCO1 1755004863 KGHNJKWLSYCFJY-QWHCGFSZSA-N 316.423 -0.186 30 20 DBED COCC#CCNCC1CC(NC(=O)[C@H](C)S(C)(=O)=O)C1 1755213362 DGHIANAPEXNEEE-HIFPTAJRSA-N 316.423 -0.446 30 20 DBED C=CCNC(=O)CN1CC(CCO)(NC(=O)c2nc(C)c[nH]2)C1 1755336993 PCETVIFWZNGSJY-UHFFFAOYSA-N 321.381 -0.813 30 20 DBED COCC#CCN[C@@H](C)CN(C)C(=O)[C@H]1CCNC(=O)CC1 1755596779 NBYDLKKPXBGBBO-UONOGXRCSA-N 309.410 -0.011 30 20 DBED COc1ccc(CN[C@H](CO)CNC(=O)C#CC(C)C)nn1 1755628704 WFVDPTGRGXRPPY-ZDUSSCGKSA-N 306.366 -0.289 30 20 DBED C#CCCCC(=O)N1C[C@H]2CC[C@H]1CN2C(=O)Cn1cnnn1 1756162190 GVICQAQGXKCHIC-QWHCGFSZSA-N 316.365 -0.322 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCOCCNC(=O)Cn1ccnc1 1756377116 JXNAXTDIKHVUNT-LBPRGKRZSA-N 307.354 -0.366 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H](C)CN(C)C(=O)CNC(=O)CC 1756439128 YCFRLUGNIGYVMO-NHYWBVRUSA-N 313.398 -0.197 30 20 DBED C#CCCCC(=O)NC[C@H](CO)NC(=O)Cc1cncn1C 1756515216 HXKMCZGYLCJGKX-GFCCVEGCSA-N 306.366 -0.641 30 20 DBED C=C[C@@H](CC)CC(=O)N[C@@H](CO)CNC(=O)c1cn(C)nn1 1756518431 YRISECJBKGPPRH-WDEREUQCSA-N 309.370 -0.376 30 20 DBED C=CC(C)(C)C(=O)NC[C@@H](CO)NC(=O)c1ccnc(OC)n1 1756539388 CFYDGYJPQQLZCS-JTQLQIEISA-N 322.365 -0.096 30 20 DBED C=C[C@@H](CC)CC(=O)N1CCCO[C@H](CNC(=O)C(N)=O)C1 1756842788 HFNJIYPWGTZOQW-NWDGAFQWSA-N 311.382 -0.192 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1CN(C(=O)C[C@@H]2CCNC2=O)C[C@H]1O 1757022676 ZFIFNXZLFZCBMZ-QJPTWQEYSA-N 323.393 -0.587 30 20 DBED C#CCCCC(=O)N(C)C[C@H]1CCN1C(=O)CCn1cnnn1 1757284586 KAANXVRDVSOBFQ-CYBMUJFWSA-N 318.381 -0.074 30 20 DBED CN1CCO[C@@H](C(=O)N[C@H]2C[C@@H](CNC(=O)C#CC3CC3)C2)C1 1757317825 DPEALKPKBIRREP-QLFBSQMISA-N 319.405 -0.259 30 20 DBED C#CCCC(=O)N1CCO[C@]2(CCN(C(=O)c3ncon3)C2)C1 1779874410 ZSRIVFYJDWJMDU-OAHLLOKOSA-N 318.333 -0.074 30 20 DBED C[C@@H](O)C(=O)N1CC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1783510158 HDVNAPNJZINGLY-ABAIWWIYSA-N 309.366 -0.253 30 20 DBED C=CC(=O)N[C@@H](C)C(=O)N1CC2(CCCN2C(=O)CC#N)C1 1842622401 JKUMNKREYNJMCC-NSHDSACASA-N 304.350 -0.206 30 20 DBED C[C@H](S)C(=O)N1CCCC12CN(C(=O)[C@H]1CNC(=O)C1)C2 1846370695 FYNRFJHEOJGGOB-VHSXEESVSA-N 311.407 -0.356 30 20 DBED CC(C)[C@@](C)(C#N)NC(=O)COC(=O)Cn1ccc(=O)[nH]c1=O 18580182 CTCUAGNQPISTOW-CQSZACIVSA-N 322.321 -0.866 30 20 DBED C[C@H](C#N)CN(C)C(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 69262195 SEALRFMTGFRGTL-ZIAGYGMSSA-N 322.409 -0.215 30 20 DBED N#Cc1cc(S(=O)(=O)N[C@H](CC(N)=O)C(=O)O)ccc1F 71238400 RGKTYXCCZLQRAO-SECBINFHSA-N 315.282 -0.696 30 20 DBED C#C[C@H](C)NS(=O)(=O)CCCS(=O)(=O)N[C@@H](C)C#C 195473783 GTHUYTBLHWCLSR-QWRGUYRKSA-N 306.409 -0.741 30 20 DBED N#Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)O)C(=O)O)s1 230326241 VXLULJNIJQJBEX-LURJTMIESA-N 304.305 -0.174 30 20 DBED C/N=C(\NC[C@H]1CN2CCN1CC2)NC[C@@H](O)c1ccc(C)o1 261967249 MZJDAVQNWNZSPS-UONOGXRCSA-N 321.425 -0.214 30 20 DBED N/C(=N/Cc1ccc(S(N)(=O)=O)s1)N1CCOCC1 262947804 BBKXZHIWWUMOJX-UHFFFAOYSA-N 304.397 -0.458 30 20 DBED C=C(C)CNC(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 276022686 CKVPHYBCDKLCFX-UHFFFAOYSA-N 322.369 -0.766 30 20 DBED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(CC)C(=O)C1 292277261 HQBHBKPVXJIVHM-GXTWGEPZSA-N 323.393 -0.226 30 20 DBED COCCN1CN(C(=O)C(=O)Nc2sccc2C#N)CC1=O 293623057 FXBXSOIDGZOPSP-UHFFFAOYSA-N 322.346 -0.167 30 20 DBED Cn1c(NCCOc2cccnc2)c(C#N)c(=O)n(C)c1=O 301253021 DTRKEKTXGDBPJS-UHFFFAOYSA-N 301.306 -0.158 30 20 DBED Cn1nnc(C/N=C(/O)N2CCN(Cc3ccccn3)CC2)n1 328749055 QOZAVCWNUBEEHM-UHFFFAOYSA-N 316.369 -0.163 30 20 DBED COCCN1CCC(N/C(O)=N/C[C@]2(O)CCOC2)CC1 330461932 XRRVLXOLIJLNLK-CQSZACIVSA-N 301.387 -0.248 30 20 DBED CC[C@H](C)NC(=O)CC/N=C(/O)N1CCS(=O)(=O)CC1 330491124 NGUSMVLAVYEBSD-JTQLQIEISA-N 305.400 -0.064 30 20 DBED CC[C@H](CO)N/C(O)=N/CC1CCN(S(C)(=O)=O)CC1 330637941 AHTDLANZHBSOAW-LLVKDONJSA-N 307.416 -0.068 30 20 DBED C[C@@H](N/C(O)=N/CCNS(C)(=O)=O)C1=CCN(C)CC1 330770479 NUEBLLMBZIDCJS-SNVBAGLBSA-N 304.416 -0.310 30 20 DBED C=CCCCC(=O)N1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 330981654 OCGXRSIRHXTLSO-QWHCGFSZSA-N 316.423 -0.355 30 20 DBED C[C@H](CCS(C)(=O)=O)NS(=O)(=O)N(C)[C@H](C)CC#N 332496361 GYNOINBONZHUHL-NXEZZACHSA-N 311.429 -0.122 30 20 DBED CNC(=O)N[C@@H]1CCN(S(=O)(=O)N(C)[C@H](C)CC#N)C1 337838385 UTONUGRJLYLEAX-NXEZZACHSA-N 303.388 -0.532 30 20 DBED Cc1noc(C(C)(C)NS(=O)(=O)N2CCO[C@@H](C#N)C2)n1 340730343 BUVIVMYTDZRTCD-VIFPVBQESA-N 315.355 -0.328 30 20 DBED N#CCC1(O)CN(C(=O)COCCNC(=O)c2ccccc2)C1 356552652 SGOCGCNUADBSGA-UHFFFAOYSA-N 317.345 -0.080 30 20 DBED C=C[C@@H](CO)NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1O 356857271 RAZHMIIIWJDMJK-VIFPVBQESA-N 314.363 -0.081 30 20 DBED C=C[C@H](C)NC(=O)NCCNS(=O)(=O)Cc1ccon1 362378405 DWUHVLGFXIDARW-VIFPVBQESA-N 302.356 -0.032 30 20 DBED Cc1nnnn1-c1cccc(NC(=O)NCC(=O)NCC#N)c1 376796037 IURYTTBJBYPPIK-UHFFFAOYSA-N 314.309 -0.268 30 20 DBED CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)N1CCO[C@H](C#N)C1 408395135 POCQUIMRNCMGJF-NXEZZACHSA-N 303.384 -0.299 30 20 DBED N#Cc1ncccc1S(=O)(=O)NCc1nnnn1CC1CC1 428408320 SRZFRVJIXUHYRW-UHFFFAOYSA-N 319.350 -0.172 30 20 DBED C=CCOC[C@@H](NC(=O)[C@@H](C)N1CCOCC1)C(=O)OC 435947461 FEDWTPDVGLTWIG-VXGBXAGGSA-N 300.355 -0.433 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2ccc(NC)nc2)CC1 491178855 CDFXZVQORFGJRA-UHFFFAOYSA-N 315.377 -0.370 30 20 DBED CS(=O)(=O)N1CCC[C@H](C(=O)N[C@H]2CCCN(O)C2=O)C1 529428977 PAODFLNCHCUNKW-UWVGGRQHSA-N 319.383 -0.846 30 20 DBED N#C[C@H]1CN(S(=O)(=O)NC[C@H]2CCCC[C@@H]2O)CCO1 568412995 QBBCEYJWBQSYNQ-WOPDTQHZSA-N 303.384 -0.404 30 20 DBED Cc1cc(C#N)ccc1S(=O)(=O)N[C@@]1(C(N)=O)CCOC1 568413577 JWZKAIPECMXYLO-ZDUSSCGKSA-N 309.347 -0.211 30 20 DBED Cc1nsc(N2CCN([C@H]3CC(=O)NC3=O)CC2)c1C#N 577527579 XXMXRIUCPQZSSW-JTQLQIEISA-N 305.363 -0.140 30 20 DBED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NCCCC(=O)O)n1 578192519 TZVNXTJJDYXOIF-UHFFFAOYSA-N 321.337 0.429 30 20 DBED C=CCn1cc(CNS(=O)(=O)c2cnn3c2OCCC3)nn1 584228187 UNBMGHIHPHNNIN-UHFFFAOYSA-N 324.366 -0.078 30 20 DBED Cn1c(N[C@H](CO)c2cccnc2)c(C#N)c(=O)n(C)c1=O 596278377 OJRNYPOVVILKDR-LLVKDONJSA-N 301.306 -0.504 30 20 DBED CN(C)CCCN(CCC#N)C(=O)CN1CC(=O)N(C)C1=O 599164167 BESWBPJPNCDPFB-UHFFFAOYSA-N 309.370 -0.426 30 20 DBED C=CCCSCCNC(=O)C(=O)NC[C@H]1COCCN1 599954820 GEPDWQWTNVOMLC-NSHDSACASA-N 301.412 -0.484 30 20 DBED CNC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2CC#N)CCO1 601388048 MPQWXYJXBUJZIH-LBPRGKRZSA-N 323.374 -0.112 30 20 DBED C[C@@]1(CO)C[C@@H](O)CN1CC(=O)NCc1cccc(C#N)c1 602906782 KIHXTRQSDGEYJD-ZBFHGGJFSA-N 303.362 -0.008 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2CCCCN2)C1=O 642905602 QBNOMFRQYBLZQZ-OLZOCXBDSA-N 322.409 -0.510 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H](C)C[C@H](C)N)C1=O 647597073 KJGZEITUQSLWTD-TUAOUCFPSA-N 310.398 -0.526 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@H](N)[C@H](CC)C2)C1=O 648125738 UFOFNSUUYMYZCY-GHMZBOCLSA-N 322.365 -0.451 30 20 DBED C#Cc1ccc(C(=O)NCC(=O)N2CCN(CC)CC2)nc1 728985845 XIVLJVISMSAZHS-UHFFFAOYSA-N 300.362 -0.043 30 20 DBED CS(=O)(=O)[C@@H]1CCCCC1=NNC(=S)NCC(N)=O 741463523 DCMCNNLOIDKYCK-MRVPVSSYSA-N 306.413 -0.721 30 20 DBED C#CCOCCNC(=O)N1CCN(c2nc(N)ns2)CC1 753386070 ZYDRTFHHRSMPLP-UHFFFAOYSA-N 310.383 -0.398 30 20 DBED CNC(=O)CNC(=S)NN=Cc1cc2c(cc1OC)OCO2 758874676 ZCMQCNIBJUCCLD-UHFFFAOYSA-N 324.362 -0.032 30 20 DBED CN1CC[C@@H](C(=O)NS(=O)(=O)CC2(C#N)CCC2)CC1=O 771076800 IFRPGKRXQUHUJH-SNVBAGLBSA-N 313.379 -0.005 30 20 DBED C#C[C@H](NC(=O)C(=O)Nc1c(C)ccn(C)c1=O)[C@@H]1CCCO1 773784333 FUGCIRYZQRHOOE-RYUDHWBXSA-N 317.345 -0.071 30 20 DBED CC1(C)OCC(CO)(NCC(=O)N[C@](C)(C#N)C2CC2)CO1 787997889 CQVBTJFUGXGANB-CQSZACIVSA-N 311.382 -0.102 30 20 DBED C#CCC[C@H](O)CNC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 799075368 BOPNCPWDVJLYTG-AXMVNOCNSA-N 320.345 -0.961 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCC1(OCCO)CCOCC1 800666839 HQEBIMPDFLTCJR-AWEZNQCLSA-N 310.394 -0.242 30 20 DBED N#CCNC(=O)CNC(=O)N[C@H](CCO)Cc1ccccc1 807553503 RDMNSGZWNIDYGR-CYBMUJFWSA-N 304.350 -0.081 30 20 DBED CC#CCS(=O)(=O)NC(=O)c1c(Br)nnn1C 810771709 YIGCNGOXYTXEBU-UHFFFAOYSA-N 321.156 -0.340 30 20 DBED N#CCCOCCOC(=O)C1CCN(S(N)(=O)=O)CC1 815185179 AURQQZULTQDCIC-UHFFFAOYSA-N 305.356 -0.625 30 20 DBED C#C[C@H](NC(=O)C(=O)N(C)C[C@@H]1COCCO1)[C@@H]1CCCO1 829213763 BWAYTIXXNRUAFU-AGIUHOORSA-N 310.350 -0.843 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N1CCO[C@@H](CC(=O)O)C1 833378099 JCZWQSOATUEVGE-JTQLQIEISA-N 320.367 -0.528 30 20 DBED C/N=C(/NCCN1CCOCC1)NC[C@@H]1CC(=O)N(C2CC2)C1 849078051 GSNFVCZGDCOUAA-ZDUSSCGKSA-N 323.441 -0.506 30 20 DBED CN1C(=O)[C@@H]2CN(S(=O)(=O)c3ccc(C#N)cc3)C[C@@H]2C1=O 867764345 FRXBHJPSAMQOEV-TXEJJXNPSA-N 319.342 -0.206 30 20 DBED COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1cccc(C#CCO)c1 901335447 RTWANDJGGIOGHW-KGLIPLIRSA-N 303.314 -0.221 30 20 DBED C=C(C)CN[C@@H]1CN(C(=O)c2cn(C)c(=O)n(C)c2=O)C[C@H]1C 939242554 YLWYPRCFSVPEEK-DGCLKSJQSA-N 320.393 -0.290 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)[C@H]2CCOC2)C1 939646457 RJMSKOPNIKCVAS-ZNMIVQPWSA-N 319.405 -0.162 30 20 DBED C#CCN1CCC[C@H](N(C)C(=O)c2nnc(O)nc2O)CC1 948591178 RIRDOCLXTLPZBQ-JTQLQIEISA-N 305.338 -0.158 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CCO2 949092343 VNFYJCSZPIJCSB-CHWSQXEVSA-N 307.350 -0.022 30 20 DBED N#Cc1cc(C(=O)N2CC[C@H]2CNC(=O)[C@H]2CCNC2=O)c[nH]1 951459870 NKPZMBRXXKKWNV-RYUDHWBXSA-N 315.333 -0.647 30 20 DBED COc1cc(C(=O)N(C)C2CN(C(=O)[C@H](C)C#N)C2)ncn1 954353968 ZXNCDNOOKYXPDC-SECBINFHSA-N 303.322 -0.072 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1(C)CCN(C(=O)C(N)=O)CC1 956500511 DMJAWCLPJNIMFJ-MNOVXSKESA-N 309.366 -0.440 30 20 DBED C=CCN1C[C@H](O)[C@H](CNC(=O)c2cnc3[nH]c(O)nc3c2)C1 958195611 HVGJLBZSKINULA-PWSUYJOCSA-N 317.349 -0.128 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](CNC(=O)c2cc(C(N)=O)c[nH]2)C1 958525596 INESLDHPAXRSPP-DGCLKSJQSA-N 306.366 -0.288 30 20 DBED N#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cc3c(nc2O)CCC3)C1 958668587 YLRZVSLIQQMOQK-SMDDNHRTSA-N 316.361 -0.178 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC3(F)F)C[C@@H]2O)c1 962123123 RWWBRKAPSMEOQZ-IEBDPFPHSA-N 324.287 -0.157 30 20 DBED CC#CCN1C[C@H]2C(NC(=O)c3nc(O)nc(O)c3OC)[C@@H]2C1 962283680 WOVKMMLUPOJUOF-RKDXNWHRSA-N 318.333 -0.420 30 20 DBED C#Cc1ccc(C(=O)NC2[C@@H]3CN([C@H](C)C(=O)NC)C[C@@H]23)nc1 962343358 OWDQKPGPDDBBGR-RAIGVLPGSA-N 312.373 -0.143 30 20 DBED CC#CCN1CCO[C@@]2(CCN(C(=O)C3CN(C(C)=O)C3)C2)C1 972361436 GQMQQHDBXYAMLU-KRWDZBQOSA-N 319.405 -0.209 30 20 DBED C#CCCN1CCO[C@]2(CCN(C(=O)c3cnnn3C)C2)C1 972364307 GDPMWRKKFRFOAI-OAHLLOKOSA-N 303.366 -0.245 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@@]2(CN(CCO)CCO2)C1 972417379 UKRUFUNJQQOUND-DOTOQJQBSA-N 321.421 -0.620 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)c3c[nH]c(=O)cn3)C2)C1 972523020 GBXSLCOLMXWIGB-HNNXBMFYSA-N 302.334 -0.680 30 20 DBED C#CCCN1C[C@@H](NC(=O)CN2CC(=O)NC2=O)C(C)(C)C1 977362767 LIFDUCSMLPFLOR-LLVKDONJSA-N 306.366 -0.612 30 20 DBED C[C@@H]1C[C@H](CNCc2nnnn2C)CN1C(=O)C#CC1CC1 980574118 GTCQSHHLXJXNDU-DGCLKSJQSA-N 302.382 -0.050 30 20 DBED C#CCN1CCC(C(=O)N2CCC(N(C)CC(N)=O)CC2)CC1 985805327 WJAFKDGSFYYDOQ-UHFFFAOYSA-N 320.437 -0.260 30 20 DBED C=C(C)CN[C@H]1C[C@@H](C)N(C(=O)c2cn(C)c(=O)n(C)c2=O)C1 989510491 HCPUOTDUENASQZ-NEPJUHHUSA-N 320.393 -0.147 30 20 DBED C#CCCN1CCC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)[C@@H]1C 994484612 IZTPSPXXEOMTOU-NWDGAFQWSA-N 318.381 -0.631 30 20 DBED CC(=O)N1CC(N2C[C@@H](NC(=O)c3c[nH]c(C#N)c3)CC2=O)C1 995499762 OSWXYQDWXBXZJJ-LBPRGKRZSA-N 315.333 -0.552 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)c3c[nH]c(=O)cn3)C2)nc1 997087210 FDELQTBZGJYZHN-UHFFFAOYSA-N 323.312 -0.599 30 20 DBED C[C@H](NC(=O)[C@H]1CCNC(=O)C1)C1CN(C(=O)C#CC2CC2)C1 1005902495 WBKALEZDWDFCPM-AAEUAGOBSA-N 317.389 -0.111 30 20 DBED Cc1ccn(CC(=O)N2CCN(C(=O)[C@@H](C)C#N)CC2)c(=O)c1 1011148417 UKWSHTFCPYADAA-ZDUSSCGKSA-N 316.361 -0.013 30 20 DBED C[C@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)CC(N)=O 1011591561 PDGGVHJNNRTSFE-WPRPVWTQSA-N 303.322 -0.519 30 20 DBED C[C@@H]1[C@H](NC(=O)c2cnn(C)n2)CCN1C(=O)C#CC1CC1 1011739889 WAXDLFYFOXABDA-ZYHUDNBSSA-N 301.350 -0.052 30 20 DBED C#Cc1ccc(C(=O)N2CCN(C(=O)c3nnn(C)n3)CC2)cc1 1011870018 FFWHHFCJAXYVCN-UHFFFAOYSA-N 324.344 -0.210 30 20 DBED COc1ncc(C(=O)N2CCN(C(=O)[C@@H](C)C#N)CC2)cn1 1012328405 YKZPNKDOJQMCDO-JTQLQIEISA-N 303.322 -0.071 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@H](NCc2nncn2C)C1 1018985724 BJPMAILKTRPVFG-KBPBESRZSA-N 316.409 -0.397 30 20 DBED C#CCN[C@H]1CCN(C(=O)c2ccc(=O)n(CCOC)c2)C1 1019084062 ZRZZERQCOVOCPM-AWEZNQCLSA-N 303.362 -0.068 30 20 DBED C=CCCn1cc(C(=O)N2CC[C@H](N[C@H]3CCNC3=O)C2)nn1 1019493537 CHZOOAUPFLSLPG-RYUDHWBXSA-N 318.381 -0.453 30 20 DBED Cn1cccc1C(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1023073769 JADGTRJFTQDICS-TZMCWYRMSA-N 301.346 -0.260 30 20 DBED C#CCN1CCC(C(=O)N[C@H]2C[C@@H](N[C@H](CC)C(N)=O)C2)CC1 1023128168 SGLZDZXJUCQXEL-QLFBSQMISA-N 320.437 -0.168 30 20 DBED Cc1ocnc1C(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1023157793 OYMGULZMBIESSA-VXGBXAGGSA-N 303.318 -0.302 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1[C@@H]2CN([C@H]3CCNC3=O)C[C@@H]21 1026101847 MPERYEVQIHAFQB-UJOWSUJOSA-N 319.405 -0.098 30 20 DBED C#CCN(C)[C@H]1CCCN(C(=O)Cn2ccc(O)nc2=O)C1 1027483221 NAIPLHVUEHDDCV-LBPRGKRZSA-N 304.350 -0.495 30 20 DBED N#CCN1CCO[C@@H](CNC(=O)c2cnn3cccnc23)C1 1035472018 XBAZLCSFKLGEDX-NSHDSACASA-N 300.322 -0.317 30 20 DBED Cn1nnc(CN2CC[C@H]2CNC(=O)c2c[nH]c(C#N)c2)n1 1038174526 HQDFKBCSCQNSGF-NSHDSACASA-N 300.326 -0.586 30 20 DBED N#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1nnc(O)nc1O 1039401653 OAEJFDQWHOWSLB-BDAKNGLRSA-N 304.310 -0.515 30 20 DBED C=CCOCC(=O)N1CC[C@](O)(CNC(=O)CC(C)(C)O)C1 1039589542 ZXSVPZYPNUFCCB-HNNXBMFYSA-N 314.382 -0.570 30 20 DBED CC(C)C#CC(=O)N1CC[C@](O)(CNC(=O)[C@H](O)C(C)C)C1 1039626737 JEBQTZUYPGLNQO-ZBFHGGJFSA-N 310.394 -0.258 30 20 DBED Cc1ccnn1CC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H](C)C#N)C1 1039743306 QCVJRAPALZKWSF-NHYWBVRUSA-N 319.365 -0.569 30 20 DBED C[C@@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)c2ccn(C)n2)C1 1040761131 BRWQWOYVBOTURQ-IINYFYTJSA-N 305.338 -0.727 30 20 DBED C[C@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)CCn2ccnc2)C1 1040766887 TWMORWJHQZRWFY-DOMZBBRYSA-N 319.365 -0.488 30 20 DBED N#Cc1cccnc1N1C[C@@H](O)[C@H](NC(=O)[C@@H]2COCCO2)C1 1040928239 JFTQUUBCEAEMIQ-UPJWGTAASA-N 318.333 -0.966 30 20 DBED CC(=O)N1CCOC[C@H]1C(=O)N1CC[C@@]2(CCN(CC#N)C2)C1 1041839754 POVCJGZLOTVIHN-GOEBONIOSA-N 320.393 -0.318 30 20 DBED Cc1ncc(C(=O)N[C@@H]2CN(c3ccnc(C#N)n3)C[C@@H]2O)[nH]1 1043877467 MFDXPBSOWUEOSC-MNOVXSKESA-N 313.321 -0.641 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)C[C@@](C)(O)C2CC2)C1 1045541222 RKJFUHCPHIKXQH-IINYFYTJSA-N 309.366 -0.613 30 20 DBED C=CCn1cc(C(=O)N[C@@]2(C)CCN([C@H]3CCNC3=O)C2)nn1 1046681643 QXGOXIOYKRLTQK-WFASDCNBSA-N 318.381 -0.453 30 20 DBED C=C(C)CN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 1047428329 GKIMHWWOWPTCHZ-CBBWQLFWSA-N 311.426 -0.215 30 20 DBED CN(C(=O)[C@H]1CCc2c[nH]nc2C1)[C@H]1CN(CC#N)C[C@@H]1O 1047634973 QZARGLNFBYZUSY-BPNCWPANSA-N 303.366 -0.458 30 20 DBED C#CCCCC(=O)N(C)[C@H]1CN(C(=O)c2cnsn2)C[C@@H]1O 1048750043 JEVHQPHWINAANT-RYUDHWBXSA-N 322.390 -0.015 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CC2(O)CCC2)C1 1048816408 CFQAXVBGZHOHRZ-KBPBESRZSA-N 322.405 -0.019 30 20 DBED N#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[C@@H]1NC(=O)NC1=O 1049882771 DYOHQQPRMHIJDH-SDDRHHMPSA-N 319.365 -0.437 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)CNC(N)=O)C[C@@H]1C 1051933073 CLUHQNRFQXDBOW-NWDGAFQWSA-N 308.382 -0.331 30 20 DBED Cn1nccc1CC(=O)N1CC[C@@H](N2CCN(CC#N)CC2)C1 1052019465 ZUFPSNZYYZGRMX-OAHLLOKOSA-N 316.409 -0.295 30 20 DBED CC(C)c1nnnn1CC(=O)N1CCOC2(CN(CC#N)C2)C1 1053463809 PMMKIOSLXIEXNY-UHFFFAOYSA-N 319.369 -0.767 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)[C@H]3CC(=O)N(C)C3)CO2)C1 1053822427 NCCFERXVVAOJSG-STQMWFEESA-N 305.378 -0.553 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CNC(N)=O 1054529346 WZLNZXVONHPHIU-YFKTTZPYSA-N 321.381 -0.300 30 20 DBED N#Cc1c[nH]c(C(=O)N2CCN(c3nccn4nnnc34)CC2)c1 1055761205 SEGWQDVPLFOMQF-UHFFFAOYSA-N 323.320 -0.319 30 20 DBED C[C@@H](C#N)C(=O)N[C@]1(CO)CCCN(C(=O)c2cnn[nH]2)C1 1056097808 VRQJLXSORUJRHX-TVQRCGJNSA-N 306.326 -0.952 30 20 DBED Cn1cnc(C(=O)NC2[C@H]3CN(c4cnc(C#N)cn4)C[C@H]23)n1 1056200212 CCWDHKOMCUXTFY-UWVGGRQHSA-N 310.321 -0.659 30 20 DBED C#CCNC(=O)CC(=O)N(CCO)CCNC(=O)C[C@@H]1C[C@H]1C 1057394839 BHVDUNSQAVVWBH-OLZOCXBDSA-N 323.393 -0.891 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](CCNC(=O)CC(=O)N(C)C)C1 1060294631 LLXQCIQEIPBFSW-RYUDHWBXSA-N 308.382 -0.021 30 20 DBED Cc1cc(C#N)nc(N(C)[C@H]2CCCN(C(=O)CC(N)=O)C2)n1 1061182711 PFHFLLFHXAXEEX-LBPRGKRZSA-N 316.365 -0.041 30 20 DBED C=CCCC(=O)NC[C@@H]1COCCN1C(=O)CNC(=O)NC 1061401681 LDZZUXOJUAJAQK-LLVKDONJSA-N 312.370 -0.775 30 20 DBED C=CC(C)(C)CC(=O)NC[C@H]1COCCN1C(=O)CC(N)=O 1061615612 RHRDRTDKQRTRRL-NSHDSACASA-N 311.382 -0.192 30 20 DBED CN1CCO[C@H](C(=O)NCC2(NC(=O)C#CC3CC3)CCC2)C1 1062747014 DJCMNKSXMKKJFQ-AWEZNQCLSA-N 319.405 -0.115 30 20 DBED N#Cc1cnc(N2CC[C@H]3CN(C(=O)C(N)=O)CC[C@@H]32)cn1 1064034481 WTUAVEASMHYYEW-ONGXEEELSA-N 300.322 -0.739 30 20 DBED C=CCCC(=O)N1CCO[C@@H](CNC(=O)c2ncn(C)n2)C1 1064955627 KEPCPFOEQJTRGX-NSHDSACASA-N 307.354 -0.262 30 20 DBED CCN(CC)CC(=O)N1CCO[C@H](CNC(=O)[C@@H](C)C#N)C1 1065177066 CYATUHJEEPYYFX-QWHCGFSZSA-N 310.398 -0.169 30 20 DBED C=CCO[C@H](C)C(=O)N1CCO[C@@H](CNC(=O)c2cc[nH]n2)C1 1065277666 AJCQYAHOUSKOER-NEPJUHHUSA-N 322.365 -0.042 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CN(C(=O)[C@@H]2[C@H]3COC[C@H]32)CCO1 1065481603 ZDWSCRJMSYPDKV-FHUSYTEZSA-N 307.350 -0.618 30 20 DBED C=C[C@@H](C)[C@@H](C)C(=O)N1CC2(CN(C(=O)CC(N)=O)CCO2)C1 1068363219 IJWYDQOFVAUTCL-VXGBXAGGSA-N 323.393 -0.240 30 20 DBED C=CC(C)(C)CC(=O)N[C@H]1COC2(C1)CN(C(=O)C(N)=O)C2 1068882542 GDDJQBNEWSYOCH-SNVBAGLBSA-N 309.366 -0.440 30 20 DBED C#CCN1CCn2ncc(CNC(=O)c3cn(C)c(O)n3)c2C1 1069872608 VBOPCLJLWKNTNC-UHFFFAOYSA-N 314.349 -0.299 30 20 DBED C=CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2nc[nH]n2)C1 1070056703 NVWYKIZQJOQKKG-MNOVXSKESA-N 302.342 -0.372 30 20 DBED N#CCSCC(=O)N1CCC[C@@H](NC(=O)c2nc[nH]n2)C1 1070453214 KVYDICYTDKYAOS-SECBINFHSA-N 308.367 -0.218 30 20 DBED N#CCN1CCNC(=O)CCN(C(=O)[C@H]2C[C@H]3C=C[C@H]2O3)CC1 1070975760 ZRFKLELEXYBXIV-HZSPNIEDSA-N 318.377 -0.496 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H](C)[C@H](NC(=O)c2cc[nH]n2)C1 1071932299 HHVQLAXTHFYMPS-CMPLNLGQSA-N 317.349 -0.874 30 20 DBED C[C@@H]1CN(C(=O)c2cnnn2C)C[C@@H]1NC(=O)C#CC1CC1 1072006057 HRALOSSBMGGPLP-PWSUYJOCSA-N 301.350 -0.195 30 20 DBED C#CCN1CCC2(C1)CN(C(=O)[C@H]1CCN(C)S1(=O)=O)C2 1073053221 AQFFLHIJPLPGCT-GFCCVEGCSA-N 311.407 -0.812 30 20 DBED C#CCCN1CCO[C@H]2CCN(C(=O)c3c[nH]c(=O)cn3)C[C@@H]21 1074324694 OAAMLWLWFOCLIZ-KBPBESRZSA-N 316.361 -0.292 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCCS(=O)(=O)C2)C1 1077958942 VDSGXXDCBKDNFM-JHJVBQTASA-N 316.423 -0.451 30 20 DBED C#CCOc1ccc(C(=O)N[C@@H](C)CCNC(=O)C(N)=O)cc1 1078120471 KJEZMANOKIGXNW-NSHDSACASA-N 317.345 -0.192 30 20 DBED C=CCOCC(=O)N1CC(N(CC)C(=O)[C@H]2COC(=O)N2)C1 1079702231 ZCTDNGCAPUUMTH-LLVKDONJSA-N 311.338 -0.643 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1ccc(S(N)(=O)=O)o1 1080036347 RSICSNBTMBLNNS-RKDXNWHRSA-N 312.351 -0.499 30 20 DBED COCCC(=O)NC[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1O 1081149962 PCIOIQUCRGWESQ-WCQYABFASA-N 320.349 -0.528 30 20 DBED N#CCSCC(=O)NC[C@H]1CN(C(=O)c2ncc[nH]2)C[C@@H]1O 1081285718 BTFYNMQKJFIYJC-UWVGGRQHSA-N 323.378 -0.784 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)c2cnn(C)c2N)C[C@@H]1O 1081336245 WCRFXMXILXAWLY-PWSUYJOCSA-N 321.381 -0.482 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@H]2CCc3nnc(C)n3C2)[C@H](OC)C1 1082382406 BQONHGCHUKDMTN-BFHYXJOUSA-N 317.393 -0.402 30 20 DBED C=CCn1cc(C(=O)N2C[C@@H](N[C@H]3CCNC3=O)[C@H](C)C2)nn1 1082791209 GCTASGMRFVPSJZ-GRYCIOLGSA-N 318.381 -0.597 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cn(C)nc1OC 1083161597 KKZSLBIJOJZGMW-UONOGXRCSA-N 318.377 -0.023 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2cn(CC(F)F)nc2C)C1 1083549694 VYJJZWPZDMFHJZ-NEPJUHHUSA-N 312.320 -0.135 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2ccc(-n3cccn3)nc2)C1 1083686244 IUFJURGNWQLOAX-KGLIPLIRSA-N 311.345 -0.325 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCN(C(C)=O)C2)C1 1084003871 QATIJQWJXCMCKN-UPJWGTAASA-N 315.801 -0.231 30 20 DBED Cc1sc(=O)n(CC(=O)N[C@@H]2CN(CC#N)C[C@@H]2O)c1C 1084090149 MEVFTONFCILHCA-MNOVXSKESA-N 310.379 -0.788 30 20 DBED C#CCN1CCC(C(=O)N(C)C[C@H]2CCN2CC(=O)NC)CC1 1085986624 IYFKJGACPDRFPS-OAHLLOKOSA-N 320.437 -0.390 30 20 DBED N#Cc1cc(C(=O)NC[C@H]2C[C@@H](N[C@@H]3CCNC3=O)C2)c[nH]1 1086064640 YZVDYEVYVHHTRR-SUZMYJTESA-N 301.350 -0.127 30 20 DBED C#CCN1CC[C@H](NC(=O)[C@H]2CN(C(C)=O)CCO2)[C@H]1CC 1087815537 QAOQRVSOPZNMAX-RRFJBIMHSA-N 307.394 -0.164 30 20 DBED N#CCN1CC[C@@H]2CN(C(=O)C[C@@H]3CC(=O)NC3=O)C[C@@H]2C1 1088223177 PYSNDCULUGVXSI-WOPDTQHZSA-N 304.350 -0.657 30 20 DBED N#CCN[C@@H]1CCCCCN(C(=O)CC[C@@H]2NC(=O)NC2=O)C1 1088422215 KADPBSBFOHXCDV-NEPJUHHUSA-N 321.381 -0.141 30 20 DBED C=CCCC(=O)N[C@@H]1CN(c2nccn3nnnc23)C[C@H]1O 1090394236 HEBIEFISQKDTMP-NXEZZACHSA-N 303.326 -0.849 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(c2ncc(C#N)cc2F)C[C@@H]1O 1091081974 UNUXVHOIYHYERD-OLZOCXBDSA-N 320.324 -0.039 30 20 DBED C[C@@]1(CNC(=O)CC(N)=O)CN(c2ccc(C#N)nc2)CCO1 1092735325 GYNCLEROMBHVRR-OAHLLOKOSA-N 317.349 -0.460 30 20 DBED CC(=O)N1CCO[C@H](C(=O)NCCNc2ccc(C#N)nn2)C1 1093798832 CZAJVFHFBFZGQH-LBPRGKRZSA-N 318.337 -0.876 30 20 DBED CN1CC[C@@H](C(=O)NCCNc2cncc(C#N)n2)CC1=O 1094239191 KTNHNUCECWKZFD-SNVBAGLBSA-N 302.338 -0.255 30 20 DBED Cn1cc(C(N)=O)cc1C(=O)NCCN=c1cc[nH]cc1C#N 1094250910 OIVBIKFYYLMFHA-UHFFFAOYSA-N 312.333 -0.346 30 20 DBED C#CCN1CC(n2cc(CNC(=O)[C@H]3CCCCO3)nn2)C1 1094283883 MNBJQGPTEDZONE-CQSZACIVSA-N 303.366 -0.047 30 20 DBED CCN1CC(N2C[C@@H](NC(=O)c3cc(C#N)c[nH]3)CC2=O)C1 1094719845 GNIPVYKPBVEMRO-NSHDSACASA-N 301.350 -0.079 30 20 DBED CC(=O)N(C)CC(=O)N1CCCN(c2ccc(C#N)nn2)CC1 1095163527 QBZWYIFEAXPJRG-UHFFFAOYSA-N 316.365 -0.135 30 20 DBED Cc1cc(C#N)nc(N2CCC(CNC(=O)CC(N)=O)CC2)n1 1095344502 AEUCFAQTQFQBKU-UHFFFAOYSA-N 316.365 -0.135 30 20 DBED CC(=O)N(C)CC(=O)NCCCN(C)c1ccnc(C#N)n1 1095473044 BITYJAOSQYLBQL-UHFFFAOYSA-N 304.354 -0.231 30 20 DBED CN(CCCNC(=O)[C@H]1COCCN1C)c1nccnc1C#N 1095522085 DOZULSQLCHBSDY-CYBMUJFWSA-N 318.381 -0.379 30 20 DBED C=CCNCc1cn([C@H]2CCN(C(=O)C3(C(N)=O)CC3)C2)nn1 1098706201 VAHCIQCJMARDAZ-LBPRGKRZSA-N 318.381 -0.407 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)CNC(=O)OC)[C@H](O)C1 1099704781 QOXYJLIZRSTPNQ-VXGBXAGGSA-N 315.370 -0.904 30 20 DBED Cn1nccc1CCN1CC[C@@H](NC(=O)C#CC2CC2)[C@H](O)C1 1099827330 VSRPUTYYIITKQT-HZPDHXFCSA-N 316.405 -0.073 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCN(Cc2nncs2)C[C@H]1O 1099835261 FNTAADHRMCXBOX-VXGBXAGGSA-N 324.406 -0.371 30 20 DBED C#CCN1CC[C@H](NC(=O)CCCN2C(=O)CCC2=O)[C@H](O)C1 1099864714 UEIIKFNWOWGABI-QWHCGFSZSA-N 321.377 -0.900 30 20 DBED C#CCNC(=O)CC(=O)NCCN(C)c1nc(C)nc(C)c1F 1100037777 RVIVWODOLYNXJH-UHFFFAOYSA-N 321.356 -0.076 30 20 DBED CC(C)N(C)C(=O)C1(C(=O)N[C@@H]2CCN(CC#N)C[C@@H]2O)CC1 1100054505 WCALYVMXMINAJF-OLZOCXBDSA-N 322.409 -0.292 30 20 DBED CCN(CCNC(=O)[C@@H](C)NC(C)=O)c1nccnc1C#N 1100434280 DUHXFUYUBZHGIM-SNVBAGLBSA-N 304.354 -0.185 30 20 DBED CC(C)(C)NS(=O)(=O)CC(=O)NCC1CC(NCC#N)C1 1100995733 BHBGGHKXOIOMJP-UHFFFAOYSA-N 316.427 -0.288 30 20 DBED C[C@@]12CN(CC(=O)NCC#N)C[C@@H]1CN(C(=O)C#CC1CC1)C2 1101227044 RQOPTEMVIBTNLZ-PBHICJAKSA-N 314.389 -0.180 30 20 DBED C=CCOCCN1C[C@@H](C)[C@H](CNC(=O)Cn2cnnc2O)C1 1101903940 YWBKZRXUPJYASA-CHWSQXEVSA-N 323.397 -0.130 30 20 DBED C=CCCOCC(=O)NC[C@@H]1CN(Cc2nnn(C)n2)C[C@H]1C 1102609150 MIAMMIHNQOVJCW-CHWSQXEVSA-N 322.413 -0.013 30 20 DBED CC[C@H](CNC(=O)c1ccc(O)nn1)N=c1cc[nH]c(C#N)n1 1102978140 RFLVJYDSTNPHOF-SECBINFHSA-N 313.321 -0.114 30 20 DBED C=CCNCC[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)N2)C[C@H]1C 1105023358 WBMJHFNAUVAXPR-JHJVBQTASA-N 315.439 -0.062 30 20 DBED C=CCNCc1cn(C2CN(C(=O)CCn3ccnn3)C2)nn1 1105221205 BPUCVDGYKLJGQA-UHFFFAOYSA-N 316.369 -0.381 30 20 DBED C#CCOCCC(=O)N1CC(n2cc(CNCC#N)nn2)C1 1105240464 OBGAZDXVDXOUIO-UHFFFAOYSA-N 302.338 -0.686 30 20 DBED Cc1ncncc1C(=O)NC[C@H](O)CNc1nccnc1C#N 1105722906 BRUJVSBTAFQNEZ-SNVBAGLBSA-N 313.321 -0.351 30 20 DBED C[C@H](C(=O)NC[C@@H](O)CN=c1cc[nH]cc1C#N)n1cncn1 1105828215 AWMHOGMAIWHJDU-PWSUYJOCSA-N 315.337 -0.883 30 20 DBED N#Cc1cnc(NC[C@@H](O)CNC(=O)[C@@H]2COC(=O)N2)c(F)c1 1105834935 BXLLGTQHRCKLNO-SCZZXKLOSA-N 323.284 -0.910 30 20 DBED C[C@@H]1CN(C(=O)C[C@H]2CCCO2)C[C@H]1CNCC(=O)NCC#N 1105859374 YSRONWHCAJVSTE-MGPQQGTHSA-N 322.409 -0.121 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)C[C@@H]2CCNC2=O)nc1 1106003138 WMIXEMKTNRPSKJ-RYUDHWBXSA-N 317.349 -0.632 30 20 DBED C[C@]1(CNC(=O)c2cnc3n2CCOC3)CN(CC#N)CCO1 1108007647 CMZKWOXOEKNFIU-HNNXBMFYSA-N 319.365 -0.242 30 20 DBED C[C@H](CNc1nccnc1C#N)NC(=O)[C@@H]1CN(C)C(=O)N1 1108041387 OSKVYPZDUVRTBP-SCZZXKLOSA-N 303.326 -0.712 30 20 DBED C=C(C)CN1CC(N2C[C@H](NC(=O)C3(C(N)=O)CC3)CC2=O)C1 1108568238 NVFYJAOBUCRMAW-LLVKDONJSA-N 320.393 -0.771 30 20 DBED C[C@@H](CN(C)c1ccc(C#N)nn1)NC(=O)CNC(=O)C1CC1 1108833635 NSQFKSACLAGUGI-JTQLQIEISA-N 316.365 -0.185 30 20 DBED C[C@H](CN(C)c1nccnc1C#N)NC(=O)CCn1ccnn1 1108917736 NBVMAORBGSBLNL-LLVKDONJSA-N 314.353 -0.029 30 20 DBED Cc1cc(C#N)nc(N(C)C[C@H](C)NC(=O)[C@H]2CNC(=O)N2)n1 1109210679 GAJFVYIWJGPGQT-GXSJLCMTSA-N 317.353 -0.721 30 20 DBED C#CCNC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1ncc[nH]1 1110530406 BEPZHWGRPCFSBD-LOWDOPEQSA-N 315.377 -0.117 30 20 DBED CC(C)[C@@H](O)C(=O)NC[C@@]1(O)CCN(c2cnc(C#N)cn2)C1 1111075649 HDRHPIRYSKMJAS-HIFRSBDPSA-N 319.365 -0.577 30 20 DBED N#Cc1cncc(NCCN(CCO)C(=O)CC2(O)CCC2)n1 1111471731 NABOJIHAYWOJBR-UHFFFAOYSA-N 319.365 -0.114 30 20 DBED Cc1nc[nH]c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1111516162 FEZAUKGTFXWWAP-UTUOFQBUSA-N 316.365 -0.307 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(c2cnc(F)cn2)C[C@@H]1O 1112721054 UJNGNGZQAUHSOD-NEPJUHHUSA-N 304.325 -0.058 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)C[C@H]2CCNC2=O)CC1 1112961012 UJCLWFLUTMPBBL-CHWSQXEVSA-N 322.409 -0.653 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)COCC(F)F)CC1 1113151723 NZEONSUSWQDXQK-NSHDSACASA-N 317.336 -0.450 30 20 DBED COCCOCC(=O)NC[C@@H](C)N(C)c1nccnc1C#N 1113538810 CMEBFTPIEQTJOU-LLVKDONJSA-N 307.354 -0.048 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)CCn3cncn3)[C@H]2C1 1113870297 FNOQOICDFSDTOQ-JYAVWHMHSA-N 318.381 -0.983 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@@H](CC)SC)[C@H]2C1 1114151633 LDLONIXHUIUUMJ-CZXHOFHRSA-N 309.435 -0.076 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)c3ncn(C)n3)[C@@H]2C1 1114223470 GTIVNTYKQCTJTO-HBNTYKKESA-N 318.381 -0.834 30 20 DBED C=C(C)CCC(=O)NC1[C@@H]2CN([C@H](C)C(=O)NC(N)=O)C[C@@H]12 1114352869 ITNWXESTWOTRIY-GMTAPVOTSA-N 308.382 -0.028 30 20 DBED C=CCOCCN1C[C@H]2C(NC(=O)[C@@H](C)S(C)(=O)=O)[C@@H]2C1 1114475796 ZKAVCZKIWPIFQW-IJLUTSLNSA-N 316.423 -0.332 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)[C@@H]3CCCCN3C)[C@H]2C1 1114701443 IXXOUUATEKIWTF-IHRRRGAJSA-N 320.437 -0.181 30 20 DBED C[C@H](C(=O)NC1[C@H]2CN(CC(=O)NCC#N)C[C@H]12)C(C)(F)F 1114853316 BPEMYBWMKAABRL-UTLUCORTSA-N 314.336 -0.036 30 20 DBED C#CCN1C[C@H]2[C@H](NC(=O)CNS(=O)(=O)CCCC)[C@H]2C1 1115181014 URZLALSCCMKNDB-IMRBUKKESA-N 313.423 -0.615 30 20 DBED C[C@H](CN(C)C(=O)[C@@H]1CCC(=O)N1)Nc1nccnc1C#N 1115787591 FVSKEJPIGLHSST-ZJUUUORDSA-N 302.338 -0.114 30 20 DBED COCCO[C@@H]1CCN(C(=O)NCCn2cnc(C#N)n2)C1 1117311560 MLWJWYYRAJRIAR-LLVKDONJSA-N 308.342 -0.403 30 20 DBED CC#CCNC1(CNC(=O)CN2C(=O)CNC2=O)CCCCC1 1120109422 ADMGSIREGXIQGW-UHFFFAOYSA-N 320.393 -0.030 30 20 DBED C[C@@H](CN(C)C(=O)[C@H]1CNC(=O)N1)Nc1ncccc1C#N 1120632819 DDHPGXAKTZSBOU-GXSJLCMTSA-N 302.338 -0.107 30 20 DBED N#Cc1nc(=N[C@H](CO)CNC(=O)C2CCOCC2)cc[nH]1 1120986449 NJTDLPBVSSYJAB-NSHDSACASA-N 305.338 -0.914 30 20 DBED CCn1nncc1C(=O)NC[C@@H](CO)Nc1cnc(C#N)cn1 1121472213 PIPQEKSRBPUWPE-JTQLQIEISA-N 316.325 -0.838 30 20 DBED COCCC(C)(C)C(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1 1121984728 KUVKLNPSAQXAPE-NSHDSACASA-N 321.381 -0.278 30 20 DBED N#Cc1cnc(N[C@@H](CO)CNC(=O)[C@@H]2[C@H]3COC[C@H]32)cn1 1122372439 OFTRWDNKVGKDCM-DCQANWLSSA-N 303.322 -0.870 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H](CO)Nc1ccc(C)nn1 1122769981 NVKGIDAGGNIAJY-KGLIPLIRSA-N 317.393 -0.228 30 20 DBED CC(C)N(CCN(C)c1ccc(C#N)nn1)C(=O)CC(N)=O 1125450420 RFQIIEJDZGYRIB-UHFFFAOYSA-N 304.354 -0.103 30 20 DBED CC(C)(C)[C@@H](CNc1cncc(C#N)n1)NC(=O)CNC(N)=O 1125761974 CHHRFWCYXKBAEM-SNVBAGLBSA-N 319.369 -0.041 30 20 DBED C#CCNC(=O)CC(=O)NCCNCc1nnc(C2CC2)n1C 1125978355 OWZIDMJPMQKPLE-UHFFFAOYSA-N 318.381 -0.962 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)c1coc(C)n1 1126184499 KAIDMENXAYVKHL-SECBINFHSA-N 323.353 -0.297 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1ccn(C2CCCC2)n1 1128450255 MDNTUTLNTQYFRW-UHFFFAOYSA-N 318.381 -0.043 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H](COC)OC)C1 1129239377 SXKSTTPQOLYIML-FRRDWIJNSA-N 309.370 -0.533 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)C2(N(C)C)CCC2)C1=O 1129358495 SLEGCUOGPBNRDA-CYBMUJFWSA-N 308.426 -0.037 30 20 DBED CC#CCN[C@@H]1CN(C(=O)[C@H]2CCN(C)C2)C[C@@H]1n1ccnn1 1130123645 XHGHGKPPBMRPMT-ZNMIVQPWSA-N 316.409 -0.405 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1snnc1CC 1130961604 WVCMLBYYBKZWGS-SECBINFHSA-N 309.395 -0.442 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H]2C[C@@H]3CN(CC)C[C@]2(C1)O3 1131217906 UBVYQOXMEYDUND-XJKCOSOUSA-N 305.378 -0.553 30 20 DBED CC[C@H](NC(C)=O)C(=O)N1C[C@@H]2C[C@@H]3CN(CC#N)C[C@]2(C1)O3 1131274237 SBROZUURUBUXDB-KNCOVGOOSA-N 320.393 -0.274 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)[C@@H](C)NC(=O)CC)CC1 1131362364 XOIAUGAQWHIHQK-CYBMUJFWSA-N 322.409 -0.815 30 20 DBED C[C@@H]1CC[C@H](NC(=O)CSCC#N)CN1CC(=O)NCC#N 1131825035 GEKIHFAIKKVLAC-NEPJUHHUSA-N 323.422 -0.148 30 20 DBED C#CCNC(=O)CN1C[C@H](NC(=O)Cc2cc[nH]n2)CC[C@@H]1C 1131917518 IBJWOYNHMDRDIJ-GXTWGEPZSA-N 317.393 -0.329 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)[C@H]1CC[C@@H](C)O1 1134084161 UJAQVSHIHPDYNF-GHMZBOCLSA-N 312.370 -0.729 30 20 DBED C=CCn1cc(C(=O)NCCNCCN2CCCC2=O)nn1 1134973157 GEZPTWVONNYAMF-UHFFFAOYSA-N 306.370 -0.594 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H](C)Cc1cnn(C)c1 1136012007 ISKCKYNSCFOPQW-QWHCGFSZSA-N 321.425 -0.005 30 20 DBED CS[C@@H](C)C(=O)N1CC2(CCN(CC(=O)NCC#N)C2)C1 1147034026 KVLLYGUXAGKDGU-NSHDSACASA-N 310.423 -0.088 30 20 DBED C=CCOCCNCCNC(=O)C[C@@]1(C)CCS(=O)(=O)N1 1149103617 JMYCXPBOCJTXEM-CYBMUJFWSA-N 319.427 -0.633 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CN(CC(=O)NCC2CC2)CCCO1 1149399848 UYQWPEYQSVWBIA-GXTWGEPZSA-N 322.409 -0.121 30 20 DBED CC#CCN1CCCO[C@@H](CNC(=O)CCc2nc[nH]n2)C1 1149504093 FNGWYWAIECZLLV-ZDUSSCGKSA-N 305.382 -0.032 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1ccc(N(C)C)cn1 1152822040 GXTXHQGBSKEOIF-LBPRGKRZSA-N 317.393 -0.395 30 20 DBED C#CCN(CC)[C@H](C)CNC(=O)[C@@H](CCC(N)=O)NC(C)=O 1155856844 OSFYVDSNVQWXAX-DGCLKSJQSA-N 310.398 -0.784 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NCCCNCCn1cncn1 1167677660 FJOBNUFJMCHUFO-AWEZNQCLSA-N 322.413 -0.155 30 20 DBED C=CCNC(=O)[C@H](C)NCCCC[C@@H](C)NC(=O)CC(N)=O 1169901216 QHWURCPIJZDVLE-NEPJUHHUSA-N 312.414 -0.183 30 20 DBED C#CCCNCCCC[C@H](C)NC(=O)Cn1ncn(C)c1=O 1171611991 ZBOXEPBMISYTJX-ZDUSSCGKSA-N 307.398 -0.130 30 20 DBED C=CCOCCNCCCNC(=O)CC[C@@H]1NC(=O)NC1=O 1175585645 WRAVMXPFCFIBTA-NSHDSACASA-N 312.370 -0.727 30 20 DBED C[C@H](CCCCNCC(=O)NCC#N)NC(=O)c1ccncn1 1175776649 KXTVRYUEEQNWCE-GFCCVEGCSA-N 318.381 -0.005 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@@](C)(NC(C)=O)C(C)C 1177187029 AEQXTUJARFZKID-INIZCTEOSA-N 324.425 -0.618 30 20 DBED C[C@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)CC1OCCCO1 1178551753 OPMWUIRGHJXYMK-RYUDHWBXSA-N 324.381 -0.642 30 20 DBED C[C@H]1[C@@H](N[C@H](C)C(=O)NC(N)=O)CCN1C(=O)C#CC1CC1 1178671984 UWFYZEHKTGQBEG-SCVCMEIPSA-N 306.366 -0.438 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)C[C@@H]2CCN(C)C2)[C@H]1C 1179925549 QLBIUULUKVHCBZ-KKUMJFAQSA-N 320.437 -0.343 30 20 DBED Cc1c(C(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)cnn1C 1180974390 YPEOXZRFILZVHY-LLVKDONJSA-N 304.354 -0.828 30 20 DBED C#CCN[C@@H]1CCCO[C@@H]1C1CCN(C(=O)CNC(N)=O)CC1 1186114801 PHOHPBBUYGHFAD-UKRRQHHQSA-N 322.409 -0.336 30 20 DBED C=CCCOCC(=O)N1CC[C@@H](NCCN2C(=O)CNC2=O)C1 1188294404 NGAULCQHXDEGDX-GFCCVEGCSA-N 324.381 -0.679 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)CCc2cn(C)nn2)C1 1188454639 LTGSSDDKTHACQF-CYBMUJFWSA-N 305.382 -0.412 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)C(C)(F)F)C1 1190639533 UFGQVSIKPQSQLV-IVZWLZJFSA-N 305.325 -0.506 30 20 DBED C=CCOCCCC(=O)N[C@@H]1CN([C@@H]2CCNC2=O)C[C@H]1O 1192054388 SDOMUZXPHKOBEO-JHJVBQTASA-N 311.382 -0.981 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2cnns2)C[C@H]1O 1192891197 JEEBUAQORGNIDR-MVWJERBFSA-N 310.379 -0.762 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H](NC(C)=O)C2CCCC2)C1 1194544896 METDUIDHACETST-OAGGEKHMSA-N 321.421 -0.134 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)COCc2ncc(C)o2)C1 1194603668 FXIWBCIIAAVNAM-CHWSQXEVSA-N 307.350 -0.316 30 20 DBED CCCCOCC(=O)N1CCCN(CC(=O)NCC#N)CC1 1195411176 KZMMNIPHOPVHHS-UHFFFAOYSA-N 310.398 -0.023 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)CC(=O)NCC(F)(F)F)C1 1197341167 DYRCQQDITZFCGM-RKDXNWHRSA-N 309.288 -0.598 30 20 DBED N#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC23CCCC3)C1 1197492980 CFOXPDVPRQBUPF-YNEHKIRRSA-N 320.393 -0.632 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(CCOCC)C[C@H]2O)nc1 1197920185 XOBHALIURXIWLT-HUUCEWRRSA-N 303.362 -0.126 30 20 DBED C=CCNC(=O)[C@@H](C)NC1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1 1202518643 YWAPNNXFZRPSBJ-RTXFEEFZSA-N 322.409 -0.621 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)CCCCC(N)=O)CC1 1203261472 QUODHGQGOPJRTH-UHFFFAOYSA-N 324.425 -0.085 30 20 DBED CC#CCN[C@@H]1CCCN(C(=O)[C@@H](C)NS(=O)(=O)CC)C1 1208109457 HWWSTUPCCLSRBH-CHWSQXEVSA-N 315.439 -0.082 30 20 DBED CCn1ccc(C(=O)N2CCC[C@@H](NCC(=O)NCC#N)C2)n1 1209951373 KORLVQQDAXLOGU-GFCCVEGCSA-N 318.381 -0.263 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)c2oncc2C)C1 1210446270 MWUCOUVLWGJMIS-GFCCVEGCSA-N 304.350 -0.073 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CCCCN2C)C[C@H]1C 1214968969 GGPTZLAFQWTVKA-RBSFLKMASA-N 320.437 -0.343 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)c2cc[nH]c2C)C1 1219434935 QWJBHUCVJUBKGP-BNOWGMLFSA-N 318.377 -0.764 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(CCC[C@@H](C)O)C[C@@H]1O 1221139950 VTCNYUZPHOPBIE-MCIONIFRSA-N 300.399 -0.099 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3cncnc3)[C@@H]2C1 1221494279 UGXKROPFGSZXNG-TZMCWYRMSA-N 313.361 -0.628 30 20 DBED N#CCSCC(=O)NC1CCN(Cc2nc(O)n[nH]2)CC1 1226152480 HFEVVAHEWJDFSB-UHFFFAOYSA-N 310.383 -0.152 30 20 DBED CCS(=O)(=O)N(C)CC(=O)N[C@@H]1CCCC[C@H]1NCC#N 1229442238 DOWNIHNUNFZQNG-VXGBXAGGSA-N 316.427 -0.192 30 20 DBED C[C@@H](C#N)C(=O)N(C)C[C@@H]1CCN1CCCN1C(=O)CNC1=O 1231294580 ZDHGCJGPISFXMB-RYUDHWBXSA-N 321.381 -0.379 30 20 DBED C=CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)Cc1cncnc1 1234019691 GDVZQKCVFLYHLZ-CQSZACIVSA-N 317.393 -0.146 30 20 DBED C#CCOCCC(=O)N(C)C[C@H]1CCN1Cc1ncnn1C 1234254834 DVPRHPNDZCRMIP-CYBMUJFWSA-N 305.382 -0.112 30 20 DBED CO[C@@H](C)CS(=O)(=O)NCCN/C(O)=C1/N=CC=CC1=O 1256167608 JVEYCIWWUOIUPK-ASGQQMQCSA-N 317.367 -0.533 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)N2CC(F)(F)C(F)(F)C2)C1 1261487623 YBWXIBJRYYLAFX-JTQLQIEISA-N 323.246 -0.024 30 20 DBED Cc1c(C#N)cccc1NC(=O)C(=O)NCC1(CO)COC1 1319582594 SGAWWTGAJJCDGM-UHFFFAOYSA-N 303.318 -0.070 30 20 DBED C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)NC(CO)CO 1319936370 FZYLSGNLHOLFHO-SECBINFHSA-N 307.306 -0.615 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C(N)=O)c(F)c2)CCO1 1321606166 HQVIHWMADVVAPM-SECBINFHSA-N 320.280 -0.386 30 20 DBED N#C[C@]1(F)CCN(C(=O)C(=O)N[C@H]2CCc3n[nH]cc3C2)C1 1322176846 LQRJJAXBPXHGMP-IINYFYTJSA-N 305.313 -0.153 30 20 DBED CC#CC[C@H](CO)NC(=O)NC[C@@H]1CCCS(=O)(=O)C1 1325992003 YYSLDDMBHMWNRJ-NWDGAFQWSA-N 302.396 -0.115 30 20 DBED CCn1cccc(CNC(=O)C(=O)N2CC[C@@](F)(C#N)C2)c1=O 1327515382 YGCYRANMLNFVEL-OAHLLOKOSA-N 320.324 -0.051 30 20 DBED CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)C(=O)NCCCCC#N)O1 1329790663 DVMMXXNHTVKIFZ-VXGBXAGGSA-N 324.381 -0.452 30 20 DBED C#CCNC(=O)CN1CCN([C@@H](C)CN2CCOCC2)CC1 1329867913 PUSRRBZUKVWMMW-HNNXBMFYSA-N 308.426 -0.926 30 20 DBED COc1ccncc1NC(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1332173911 NKWGTIUYMGVPPO-AWEZNQCLSA-N 304.306 -0.094 30 20 DBED COCC#CC(=O)N1CCN(c2nc(N)nc(C3CC3)n2)CC1 1334792038 QIWKGPDWTJDATM-UHFFFAOYSA-N 316.365 -0.370 30 20 DBED C#CCOCCn1nnnc1N1CCC2(CCN(C)C2=O)CC1 1336017983 MEWDKPOJPFSOCC-UHFFFAOYSA-N 318.381 -0.228 30 20 DBED N#C[C@H]1CCCN(C(=O)C(=O)N2CC[C@H](N3CCNCC3)C2)C1 1339222856 FHIRJUGGNGEDHI-KGLIPLIRSA-N 319.409 -0.745 30 20 DBED C=CCn1c(N2CCN(CCOC)C(=O)C2)nnc1C(C)(C)O 1339836177 DWMHJYWISVGCCY-UHFFFAOYSA-N 323.397 -0.014 30 20 DBED C=C(C)Cn1c(C(N)=O)nnc1N1CCN2C(=O)CC[C@@H]2C1 1342218362 MWUMDDKNYOVLTE-SNVBAGLBSA-N 304.354 -0.236 30 20 DBED C[C@H](CS(C)(=O)=O)N(C)C(=O)C(=O)NCCCCC#N 1346117548 HOCPLLXARLMTDM-SNVBAGLBSA-N 303.384 -0.312 30 20 DBED C[C@H]1OCC[C@@]1(O)CNC(=O)C(=O)Nc1ccc(C#N)cn1 1347667897 IMBYXJDWOGHILI-YMTOWFKASA-N 304.306 -0.452 30 20 DBED C[C@H](C#N)N(C)C(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 1361843983 SEHAWJMEPJAHGK-SECBINFHSA-N 318.337 -0.806 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H](C(N)=O)c1ccccn1 1363920640 PPCBMLAWCZNCBL-MWLCHTKSSA-N 311.367 -0.466 30 20 DBED N#Cc1cnn2c(O)cc(CN[C@]3(C(N)=O)CCOC3)nc12 1364742253 WRNQIIDQBUNBOY-CYBMUJFWSA-N 302.294 -0.959 30 20 DBED Cc1nc(N2CCN(S(=O)(=O)N(C)CCC#N)CC2)n[nH]1 1365457105 DUUHIMBFPYBTGV-UHFFFAOYSA-N 313.387 -0.675 30 20 DBED CN(CCNC(=O)[C@@H]1COC(=O)N1)C(=O)c1ccc(C#N)[nH]1 1373424496 RIQHENLURNCCPZ-JTQLQIEISA-N 305.294 -0.817 30 20 DBED C=C(Cl)CN1CCOC[C@@H]1CNC(=O)Cn1cnnn1 1380812621 YSCPNRKTPSCLRI-JTQLQIEISA-N 300.750 -0.757 30 20 DBED COC[C@H](O)CN(CCO)C1CCN(C(=O)[C@H](C)C#N)CC1 1397809549 HCZMXKQRRUMAQL-TZMCWYRMSA-N 313.398 -0.561 30 20 DBED CC(C)C1(C(=O)NCCn2cc(C#N)c(O)nc2=O)COC1 1413306430 AAHQVRDXFGLJIO-UHFFFAOYSA-N 306.322 -0.391 30 20 DBED COC(=O)[C@H](CO)NS(=O)(=O)c1c(C)cc(F)cc1C#N 1413323744 SHVGONSHSSXZIV-JTQLQIEISA-N 316.310 -0.182 30 20 DBED CC[C@@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)c1cn(C)nn1 1416201167 SXIQUNQYCZCGMB-JTQLQIEISA-N 315.337 -0.047 30 20 DBED C[C@@H](CN1CCOCC1)C(=O)N[C@H]1C[C@H](NC(=O)[C@H](C)C#N)C1 1430155030 SCOOTRCIMDMHSR-XJFOESAGSA-N 322.409 -0.122 30 20 DBED CN1CCO[C@H](C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)C1 1434273970 LWYPINXYPQPCOD-NSHDSACASA-N 320.353 -0.613 30 20 DBED CNS(=O)(=O)CC(=O)NCCN(C)Cc1ccccc1C#N 1442619730 WRDYXUXXMOTRAO-UHFFFAOYSA-N 324.406 -0.345 30 20 DBED CCC(=O)NCC(=O)NC[C@@H](C)NC(=O)c1ccc(C#N)[nH]1 1447816376 SJVSJCHYXPRCLE-SECBINFHSA-N 305.338 -0.353 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1noc2c1CCCC2 1458034457 KTDOUECRAWQCDG-VHSXEESVSA-N 320.349 -0.080 30 20 DBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CCC(N)=O 1466064530 OGKFTBHPNPYPLV-SNVBAGLBSA-N 302.338 -0.349 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2ccn(C)c2C)C1 1490841429 VCMDUAVFOGGZEN-ZDUSSCGKSA-N 302.378 -0.113 30 20 DBED N#CCNC(=O)CN1CC[C@H](NC(=O)c2n[nH]c3c2CCC3)C1 1494714885 KMKQTTSWNVXRLX-JTQLQIEISA-N 316.365 -0.658 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC(=O)N(C)C2)C1 1514856753 CVGWOPQXJXWCRO-NNYUYHANSA-N 306.366 -0.365 30 20 DBED CCCn1nccc1C(=O)NC[C@@H](O)CNC(=O)[C@H](C)C#N 1533276052 LINUGLYEXKQNQR-MNOVXSKESA-N 307.354 -0.340 30 20 DBED C#CCNC(=O)CN1CCC[C@H](NC(=O)Cc2cnc[nH]2)C1 1566630372 JAFKBKDPPNMPTL-LBPRGKRZSA-N 303.366 -0.718 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)Cc2cnc(C)o2)C1 1566766883 WRDGQZIHNDTADO-LBPRGKRZSA-N 304.350 -0.535 30 20 DBED C#Cc1ccc(C(=O)N[C@@H](C)[C@@H](C)NC(=O)CNC(=O)O)nc1 1573311812 HFWROZCUNXZWJO-ZJUUUORDSA-N 318.333 -0.047 30 20 DBED C=CCOC[C@H](NC(=O)CNc1ccccc1C(N)=O)C(=O)O 1573368919 LEEHTZRJNYSROC-LBPRGKRZSA-N 321.333 -0.031 30 20 DBED C[C@H](C(=O)NCc1ccnc(-c2nn[nH]n2)c1)n1cnc(C#N)n1 1573728247 CGVDHHFNFAMFLQ-MRVPVSSYSA-N 324.308 -0.398 30 20 DBED N#CC1(NC(=O)[C@H]2CCCN(CC(=O)O)C2=O)CCOCC1 1574480300 DHBPYCPUSPOHTA-SNVBAGLBSA-N 309.322 -0.501 30 20 DBED C=CCCCN[C@@H](CO)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 1588600854 RDILCKJECKCHCI-LLVKDONJSA-N 319.369 -0.159 30 20 DBED N#CCN(CCC(=O)O)C(=O)CNC(=O)NCc1ccco1 1608185148 DSAZZYFYRGBVPU-UHFFFAOYSA-N 308.294 -0.094 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@H](NCC(=O)NCC2CC2)C1 1714323654 HKBYNISRABMFFH-OCCSQVGLSA-N 307.394 -0.259 30 20 DBED C[C@@H](C#N)C(=O)NCCCN(C)CC(=O)NC[C@@H]1CCCO1 1751952783 MUPHZSMJMXNRGB-STQMWFEESA-N 310.398 -0.121 30 20 DBED C=CCOCC(=O)N1CC[C@H](CN[C@H](C)c2nnnn2C)C1 1752932616 QAOJUIOJPODWLP-VXGBXAGGSA-N 308.386 -0.088 30 20 DBED C#CCCN(C)[C@@H]1CCCN(C(=O)C[C@@H]2CC(=O)NC2=O)C1 1753001035 RPEVQJCZJACWME-QWHCGFSZSA-N 305.378 -0.015 30 20 DBED C#CCNC(=O)CN1CC[C@@H](CNC(=O)C[C@H]2CCN(C)C2)C1 1753138020 PMNQKHZSEZXGMD-CABCVRRESA-N 320.437 -0.484 30 20 DBED COCC#CCN(CCCNC(=O)[C@H](C)NC(N)=O)C(C)C 1753286163 PBKXRZFXXVPWFW-ZDUSSCGKSA-N 312.414 -0.090 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC(NC(=O)CNC(=O)C2CC2)C1 1753371446 MPSPOYJWWHBDBE-SNVBAGLBSA-N 308.382 -0.996 30 20 DBED C#CCNC(=O)[C@H](C)N1CC(NC(=O)CC[C@@H]2CCOC2)C1 1753374797 PUHDQIHSCVNFDT-QWHCGFSZSA-N 307.394 -0.259 30 20 DBED C#CCNC(=O)[C@H](C)N1CC(NC(=O)c2ccc(C#C)cn2)C1 1753392028 HSTDLJYEVBHVIJ-LBPRGKRZSA-N 310.357 -0.385 30 20 DBED C#CCNC(=O)CN1CC(CNC(=O)c2c(C)ncn2C)C1 1753403653 DBHCHJIZZJTTQA-UHFFFAOYSA-N 303.366 -0.860 30 20 DBED C=CCNC(=O)[C@H](C)N1CC(CNC(=O)c2cnc(O)n2C)C1 1753407681 SJNOJMFDFXYRPC-JTQLQIEISA-N 321.381 -0.522 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@H](C)CNC(=O)c1cc[n+]([O-])cc1 1753612657 GTMLYEZSJAEWDT-STQMWFEESA-N 318.377 -0.587 30 20 DBED N#CCN1CCO[C@@H](CNC(=O)COCc2cccnc2)C1 1753656682 QXCJBOALFXFIEW-AWEZNQCLSA-N 304.350 -0.061 30 20 DBED C=CCNC(=O)NC(=O)CNC[C@@H](C)N(C)C(=O)COC 1753675347 ALLHQWFPOJBIIC-SNVBAGLBSA-N 300.359 -0.919 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@H](O)CNCc1cc(C)n(C)n1 1753909580 JCXVXZYVBYCUSG-ZFWWWQNUSA-N 310.398 -0.378 30 20 DBED CC(C)n1ncnc1CNC[C@@H](O)CNC(=O)C#CC1CC1 1753911489 RNPYXNZCZPOEMQ-CYBMUJFWSA-N 305.382 -0.161 30 20 DBED CC#CCNC[C@H](O)CNC(=O)[C@H]1COCCN1CC(F)F 1753921079 DMFLLKDOVDJYOO-NWDGAFQWSA-N 319.352 -0.958 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@@H](C)NC(=O)c1cc(C)nnc1C 1754227935 UOOIXHJMUCAOPY-DGCLKSJQSA-N 317.393 -0.061 30 20 DBED COCC1(C(=O)NC[C@H]2CCN2CC(=O)NCC#N)CCC1 1754488973 NTTRGYRRJBJSKT-GFCCVEGCSA-N 308.382 -0.367 30 20 DBED C#CCNC(=O)CNC1(CNC(=O)Cc2[nH]cnc2C)CC1 1754532763 IVNPMCGEVFYKQV-UHFFFAOYSA-N 303.366 -0.752 30 20 DBED Cn1cnn(CCC(=O)N[C@H]2C[C@H]3C[C@@H](C2)N(CC#N)C3)c1=O 1754785904 RRABZBWFYWLWNU-AVGNSLFASA-N 318.381 -0.535 30 20 DBED COCC#CCN1CCOC[C@H]1CNC(=O)C1CCN(C)CC1 1754971440 NABJALMCFBKZFA-MRXNPFEDSA-N 323.437 -0.205 30 20 DBED CC#CCN1CCN([C@@H]2CCN(C(=O)CNC(=O)NC)C2)CC1 1755020179 ZLWXJCVTQADAIX-CQSZACIVSA-N 321.425 -0.843 30 20 DBED C#CCOCCC(=O)N[C@@H](C)C1CN(Cc2nnnn2C)C1 1755376991 NQRANXNHYPIQGK-NSHDSACASA-N 306.370 -0.814 30 20 DBED CC#CCNC[C@H]1C[C@H](NC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 1755474617 HVKBHUIRIWOWBE-OBJOEFQTSA-N 315.377 -0.127 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H](CO)CNC(=O)C1CCC(=C)CC1 1755637750 GIBUSRYICYRFKF-ZFWWWQNUSA-N 321.421 -0.063 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@@H](O)CN(C)C(=O)c1cc[nH]c1 1755781049 QMVPWMSHEPSBGX-DGCLKSJQSA-N 306.366 -0.825 30 20 DBED CC(C)C#CC(=O)N1CC(CCO)(NC(=O)c2cncnc2)C1 1756080900 LYMZKYHSEUQCNU-UHFFFAOYSA-N 316.361 -0.171 30 20 DBED C#CCOCCC(=O)N1CC([C@@H](C)NC(=O)[C@H](C)NC(N)=O)C1 1756136624 KNKOFSLICNLHDH-MNOVXSKESA-N 324.381 -0.954 30 20 DBED CC(C)C#CC(=O)NC[C@H](CO)NC(=O)C1(N(C)C)CCC1 1756517112 DTOQYNDHCZGYNL-CYBMUJFWSA-N 309.410 -0.277 30 20 DBED C#CCCCC(=O)N(C)C[C@@H](O)CNC(=O)[C@@H]1CC(=O)N(C)C1 1756660583 JNOZEHOLNSTJBQ-OLZOCXBDSA-N 323.393 -0.796 30 20 DBED CC(C)C#CC(=O)N(C)C[C@H](O)CNC(=O)C1(CN(C)C)CC1 1756661533 AFEXXAVUPGQOLX-CQSZACIVSA-N 323.437 -0.077 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(C(=O)COCC2CC2)C[C@@H]1O 1757169110 NJHGOVGVEYKWQD-KGLIPLIRSA-N 308.378 -0.096 30 20 DBED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnoc3)[C@H]2C1 1787574274 FARIZCFAVDMEIM-DRZSPHRISA-N 303.318 -0.099 30 20 DBED CC(C)[C@@H](O)C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1841423045 FNPDCGLOBJUMFS-CYBMUJFWSA-N 308.334 -0.705 30 20 DBED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)[C@@H]1CCC=CO1)C2 1846195894 OCKRKVHMJNZLKB-LBPRGKRZSA-N 318.329 -0.030 30 20 DBED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)C(N)=O)cc1 42004227 SAMYWTGRRZVVCU-VIFPVBQESA-N 309.347 -0.798 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCCN(C)[C@H](C)CC)C1=O 66139970 PYUQDLQFLCVNLG-LLVKDONJSA-N 324.381 -0.190 30 20 DBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCN(C)C 132494925 QVEJXUAYSZRNNL-NSHDSACASA-N 324.406 -0.097 30 20 DBED COc1ccc(CN2CCN3C(=O)C(=O)NC[C@H]3C2)cc1C#N 135156983 GCPQAUHFAYYVHM-ZDUSSCGKSA-N 314.345 -0.291 30 20 DBED C=CCNC(=O)CNC(=O)CN1C(=O)NC2(CCCCC2)C1=O 271989602 QARHQMBCDXLXAE-UHFFFAOYSA-N 322.365 -0.341 30 20 DBED C=CCCN(C)CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1 276462583 QRBSRVQUHMRUDY-JTQLQIEISA-N 303.384 -0.493 30 20 DBED N#Cc1ccc(S(=O)(=O)NCC(=O)NCCCCO)cc1 290375370 IAONSFHPWIDSTA-UHFFFAOYSA-N 311.363 -0.275 30 20 DBED N#Cc1ccc(S(=O)(=O)NCCOCC(N)=O)cc1F 292551959 KFIDRTVBUSFHLW-UHFFFAOYSA-N 301.299 -0.522 30 20 DBED O=C1[C@H]2[C@H](C(=O)N1C/C(O)=N/[C@@H]1[C@H]3COC[C@H]31)[C@H]1CC[C@H]2O1 330080113 GHZSGRGLDIUOJE-GAAHFBGMSA-N 306.318 -0.250 30 20 DBED CN(CCC(=O)N/C(O)=N/CC(F)(F)F)[C@@H]1COC[C@H]1O 330616976 WMMKRLCMZLWPAK-HTQZYQBOSA-N 313.276 -0.340 30 20 DBED C[C@@H](CCO)/N=C(/O)NC1CCN(CC(=O)N(C)C)CC1 330904124 YWVKNDQBPYLVMF-NSHDSACASA-N 300.403 -0.187 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)Nc2cc3n(n2)CCCC3)CCO1 332325325 PGWIVTBYYFSJPC-LLVKDONJSA-N 303.322 -0.091 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1CCC[C@@H]1C(=O)OC 336925496 WJOJDAVNMVRKIY-LLVKDONJSA-N 319.383 -0.269 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1CCC[C@H]1C(=O)OC 336925497 WJOJDAVNMVRKIY-NSHDSACASA-N 319.383 -0.269 30 20 DBED COCCN(CCC#N)S(=O)(=O)NC1CCC(O)CC1 336940101 IPZBDHPFIMKGFD-UHFFFAOYSA-N 305.400 -0.014 30 20 DBED C=CCN1CC[C@@H](N2CCC(CS(N)(=O)=O)CC2)C1=O 337194654 WITYQWBJYYKBJZ-GFCCVEGCSA-N 301.412 -0.226 30 20 DBED COC(=O)[C@H]1CN(C(=O)C(=O)Nc2ccc(C#N)cn2)CCO1 339998976 MRICGYVCQQIMPM-SNVBAGLBSA-N 318.289 -0.708 30 20 DBED COCC[C@@H](NS(=O)(=O)c1ccc(F)cc1C#N)C(N)=O 342998907 XZYZNWAMBKOLIJ-SNVBAGLBSA-N 315.326 -0.134 30 20 DBED N#CCNC(=O)CNC(=O)NCC(=O)N1CCc2ccccc21 344602922 JBJOSOKCEQRJAN-UHFFFAOYSA-N 315.333 -0.485 30 20 DBED Cc1cc(NS(=O)(=O)CCCS(N)(=O)=O)ncc1C#N 349450777 MRTKYVXVIUKHCP-UHFFFAOYSA-N 318.380 -0.318 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N1CCN2C(=O)OC[C@@H]2C1 367172916 OLHIBLWTWONVFK-UWVGGRQHSA-N 302.356 -0.398 30 20 DBED N#Cc1ccc(-n2ccc(NC(=O)NC[C@@H](O)CO)n2)c(F)c1 367799065 CYGNWUSTKQKVOW-SNVBAGLBSA-N 319.296 0.358 30 20 DBED CN1CCNC[C@@H]1CNS(=O)(=O)Cc1ccc(C#N)cc1 394438260 WBSBEXIQYUXHHS-CQSZACIVSA-N 308.407 -0.119 30 20 DBED C=CC[C@@H](CC)NC(=O)C(=O)N1CCC[C@H](C(=O)NCCN)C1 419138084 QCLSXUGBHKKMGJ-QWHCGFSZSA-N 324.425 -0.229 30 20 DBED CNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N 443008151 DHLYKWRDACCRIX-UHFFFAOYSA-N 312.307 -0.119 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)NCCN2CCOCC2)s1 487666816 FAWFMSIPLYPSLM-UHFFFAOYSA-N 322.390 -0.202 30 20 DBED C#CCN1CCN(C(=O)CN[C@@H]2CCOC[C@H]2OCC)CC1 491045149 JNKOXKKSYZJZTD-HUUCEWRRSA-N 309.410 -0.453 30 20 DBED C#CCNC(=O)CCN1CCC[C@@H](n2cc(C(=O)OC)nn2)C1 491164293 ACUZLCQWWIPRRD-GFCCVEGCSA-N 319.365 -0.159 30 20 DBED CNC(=O)CN(C)C(=O)CNS(=O)(=O)c1cccc(C#N)c1 556713320 HEAFVKCEAROXCN-UHFFFAOYSA-N 324.362 -0.959 30 20 DBED CC[C@](C)(CO)NC(=O)C(=O)Nc1nn(C(C)C)cc1C#N 563499733 FVLFXFCBUUOPBZ-CQSZACIVSA-N 307.354 0.551 30 20 DBED C=CCOC[C@H](NS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1)C(=O)O 567809442 UOYFMZGSWVOEJM-DCAQKATOSA-N 322.383 -0.414 30 20 DBED N#Cc1ccc(NC(=O)C(=O)NC[C@@H]2COCCN2)c(F)c1 599898959 KDYZYIXGOSMFGT-SNVBAGLBSA-N 306.297 -0.260 30 20 DBED N#Cc1cc(F)c(S(=O)(=O)N[C@H]2COC[C@H]2O)c(F)c1 601487748 SMPHYOXALNUNDS-VHSXEESVSA-N 304.274 -0.126 30 20 DBED COC(=O)C[C@@H]1CCCCN1c1c(C#N)c(=O)n(C)c(=O)n1C 611190195 HIDLQBORYTYOMZ-JTQLQIEISA-N 320.349 -0.122 30 20 DBED CC(=NNC(=S)NCC(N)=O)c1ccc2nc(O)[nH]c2c1 731930420 YIAYNRTXFIVNEB-UHFFFAOYSA-N 306.351 -0.058 30 20 DBED C#CCOc1cccc(OC(=O)c2cn(CC(N)=O)nn2)c1 744115275 FPJMRSVCWNFZFX-UHFFFAOYSA-N 300.274 -0.005 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)Cn1ccc(C)cc1=O 773704646 VXCJYYHSKFQHGR-UHFFFAOYSA-N 307.306 -0.288 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@@H](C)CN1CCOCC1)[C@H]1CCCO1 787758186 NECXYXXNXJBYIE-MELADBBJSA-N 323.393 -0.880 30 20 DBED CNC(=O)NCCC(=O)[C@@H](C#N)C(=O)NCCCOC(C)C 796739733 FDOBDNSMADWNJG-LLVKDONJSA-N 312.370 -0.054 30 20 DBED CNC(=O)C1(NS(=O)(=O)N(C)C[C@@H](C)C#N)CCCC1 800040494 ARVJIPVSQLVUNX-JTQLQIEISA-N 302.400 -0.029 30 20 DBED C#CCCCS(=O)(=O)NCCn1cc(C(=O)OC)nn1 805095020 VAWBCWJMBPPRKQ-UHFFFAOYSA-N 300.340 -0.603 30 20 DBED C#CCOCCNC(=O)C(=O)Nc1cccc2c1OCC(=O)N2 810383423 DYUZVTZTNXLQEX-UHFFFAOYSA-N 317.301 -0.278 30 20 DBED C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NC)cc1 811830855 JDHHNPDDKGVYDA-UHFFFAOYSA-N 310.331 -0.499 30 20 DBED Nc1ncc2c(n1)CCCC2=NN=c1nc2[nH][nH]cc-2c(O)n1 814843186 NSZZKMLKNIYXLA-UHFFFAOYSA-N 311.309 -0.043 30 20 DBED N#Cc1cc(S(N)(=O)=O)ccc1N1CCO[C@@H](C(=O)O)C1 819095697 HQNXPAVVVVGLAD-LLVKDONJSA-N 311.319 -0.505 30 20 DBED Cc1onc(CC(=O)N2CCOC[C@H]2C#N)c1-c1nn[nH]n1 826344856 USXPOEVJNUOFQT-MRVPVSSYSA-N 303.282 -0.543 30 20 DBED C#CC[C@@H](NC(=O)c1ccc(S(=O)(=O)NC)cc1)C(=O)OC 837930731 SQYBLHWGXVTBAD-GFCCVEGCSA-N 324.358 -0.111 30 20 DBED C=CCn1cc(C(=O)O[C@@H]2CCN(CCC(=O)OC)C2=O)nn1 849814608 FIPWUQVSGAAOSP-LLVKDONJSA-N 322.321 -0.215 30 20 DBED C#CC[C@H](CO)NC(=O)c1ccc(C(=O)N[C@@H](CO)CC#C)o1 854545144 BFBCRAXVDZIAID-VXGBXAGGSA-N 318.329 -0.492 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N[C@@H](C#C)[C@H]1CCCO1 875322295 BFUYQLMZHOCBOC-HZSPNIEDSA-N 306.362 -0.172 30 20 DBED C[C@H](C#N)C(=O)N1CCCN(C(=O)[C@@H]2CCCN2C(N)=O)CC1 941514701 DNUAQZYFJXWLRF-NEPJUHHUSA-N 321.381 -0.250 30 20 DBED C[C@@H](C#N)C(=O)N1CCCN(C(=O)c2cnc(O)n2C)CC1 941834891 UVYLUHLCDVXXSE-JTQLQIEISA-N 305.338 -0.040 30 20 DBED COc1c(O)nc(O)nc1C(=O)N[C@@H]1CCN(CC#N)C[C@H]1C 944136044 QVCRYHFQLJKLHE-RKDXNWHRSA-N 321.337 -0.140 30 20 DBED C#CCN1CCC[C@H](N(C)C(=O)CN2CCOCC2=O)CC1 948442205 LVANGMAQBCMXJC-AWEZNQCLSA-N 307.394 -0.209 30 20 DBED C[C@H](C#N)C(=O)N1CCC2(CC1)CN([C@@H]1CCNC1=O)CCO2 949320542 PIMIVGPVOZVGFW-CHWSQXEVSA-N 320.393 -0.272 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2CCN2C(=O)c2cnn[nH]2)cn1 951381254 DYJKRHLKNQALPV-LBPRGKRZSA-N 310.317 -0.175 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)Cn1cncn1 952176350 FAIFOUFZTITQPD-UPJWGTAASA-N 319.365 -0.414 30 20 DBED C#Cc1cncc(C(=O)N2CC(N(C)C(=O)Cc3nc[nH]n3)C2)c1 955387984 HWVSVCZPHNPIHI-UHFFFAOYSA-N 324.344 -0.294 30 20 DBED CC#CCN1C[C@@H](O)[C@H](CNC(=O)c2ncc(OC)cn2)C1 958244626 VHVGYQBOPQBQLG-DGCLKSJQSA-N 304.350 -0.469 30 20 DBED C=CCN1C[C@H](CNC(=O)c2cccnc2C(N)=O)[C@@H](O)C1 958719046 ZDPAVNOGFLUCJP-JQWIXIFHSA-N 304.350 -0.611 30 20 DBED CC#CCN1C[C@H](CNC(=O)c2cc(C(N)=O)ccn2)[C@@H](O)C1 958774537 ZKEAFIYBWCAROJ-JSGCOSHPSA-N 316.361 -0.774 30 20 DBED CC#CCN1C[C@H]2C(NC(=O)[C@H]3C[C@H](OC)CN3C(C)=O)[C@@H]2C1 961358049 MHAFPKRWVAKEFL-GBJTYRQASA-N 319.405 -0.308 30 20 DBED C=C(Cl)CN1C[C@H]2C(NC(=O)[C@@H]3CC(=O)NC(=O)N3)[C@@H]2C1 961908422 AMCLIIKJTSAQBV-HLTSFMKQSA-N 312.757 -0.617 30 20 DBED C=CCn1cccc1C(=O)N[C@H]1CN(C(=O)C(N)=O)C[C@@H]1C 966767217 WSIZXAKOMLOSJW-QWRGUYRKSA-N 304.350 -0.264 30 20 DBED N#Cc1cc(C(=O)N2CC[C@@H]3CN(C(=O)CC(N)=O)[C@@H]3C2)c[nH]1 971610321 SLBNFAXVRMHVOE-BXKDBHETSA-N 315.333 -0.565 30 20 DBED C=CCN1CCO[C@@]2(CCN(C(=O)C3CC(=O)NC(=O)C3)C2)C1 972596356 LMFHSVHGVRJBES-INIZCTEOSA-N 321.377 -0.472 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)[C@H]3CCCC(=O)N3C)C2)C1 972657837 BIAMSDILQBMCRJ-RHSMWYFYSA-N 319.405 -0.066 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H](CNC(=O)c2c[nH]c(=O)cn2)C1 975494441 DCMCNOJLZZEGIB-GHMZBOCLSA-N 317.349 -0.102 30 20 DBED N#CCN[C@H]1CCC[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)C1 981457482 PDZKUKTXNHASNE-VHSXEESVSA-N 315.337 -0.428 30 20 DBED CN(C(=O)c1c[nH]c(C#N)c1)[C@H]1CCCN(C(=O)C(N)=O)C1 984586680 SHRSXPKBYJALIH-NSHDSACASA-N 303.322 -0.565 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)Cn3nccn3)C[C@@H]2C1 986166616 VACJHJCIAXASCB-XQQFMLRXSA-N 316.365 -0.255 30 20 DBED C#Cc1cncc(C(=O)N2CC(NC(=O)c3cn(C)nn3)C2)c1 991161271 JNWLBRLOEIUSGO-UHFFFAOYSA-N 310.317 -0.554 30 20 DBED C[C@@H](NC(=O)[C@@H]1CCS(=O)(=O)N1)C1CCN(CC#N)CC1 997435270 NJNZSPRBEFALCY-PWSUYJOCSA-N 314.411 -0.582 30 20 DBED COc1ccc(C(=O)NC2CN(C(=O)C#CC3CC3)C2)nn1 999596745 JYAWTLCGMPPKBU-UHFFFAOYSA-N 300.318 -0.161 30 20 DBED C=C[C@](C)(CC)C(=O)N1CC[C@]2(CN(C(=O)C(N)=O)CCO2)C1 1007718536 NYFFJFNOJJCYRK-CVEARBPZSA-N 323.393 -0.096 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(C(=O)C2(C(N)=O)CC2)CC1 1012310178 VCYAJPBCKUCBMV-NEPJUHHUSA-N 321.377 -0.486 30 20 DBED Cc1cncn1CC(=O)NC1[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]12 1013430448 XGXWHYQIIWUELK-YUSALJHKSA-N 301.350 -0.076 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]12CCC[C@H]1N(C(=O)C(N)=O)CC2 1014483568 CWWPGXWCAFBBTA-AZKPJATDSA-N 321.377 -0.297 30 20 DBED C#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CC(=O)N(CCOC)C1 1017596364 KOIZUVDTHBTUNT-SOUVJXGZSA-N 319.405 -0.210 30 20 DBED C[C@H]1C[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 1023331526 OFFOTUCPTFPSNX-LOHPEHISSA-N 302.334 -0.156 30 20 DBED CN1CCN(CC(=O)N2C[C@@H]3CC[C@@H](NCC#N)[C@H]3C2)CC1=O 1026298448 PMUUEBDHIBLMNW-MELADBBJSA-N 319.409 -0.889 30 20 DBED N#CCN1[C@H]2CC[C@H]1CN(C(=O)CN1CCC(=O)NC1=O)C2 1029543995 PTWJQMRAIUOOFH-QWRGUYRKSA-N 305.338 -0.873 30 20 DBED C#CCCN1CC[C@H](N(CC)C(=O)c2cn(CC(N)=O)nn2)C1 1034047997 CWOLVLVKSJLUQM-LBPRGKRZSA-N 318.381 -0.677 30 20 DBED CC#CCN1CCCC[C@H](NC(=O)CN2C(=O)CN(C)C2=O)C1 1034523163 FNHKWQWFCLNXPW-ZDUSSCGKSA-N 320.393 -0.126 30 20 DBED C=CCN1CCO[C@H](CNC(=O)c2cccn3nnnc23)C1 1035387121 KNKPQGBYOLLSDP-LLVKDONJSA-N 302.338 -0.259 30 20 DBED C#Cc1cncc(C(=O)NC[C@H]2CN(C[C@H](C)O)CCO2)c1 1035504179 CLIKRGLAOOOLAP-WFASDCNBSA-N 303.362 -0.126 30 20 DBED C=CCN1CC[C@@H]2CN(C(=O)c3cn(CC(N)=O)nn3)CC[C@H]21 1036904376 RCKBBSTZVGVNRJ-DGCLKSJQSA-N 318.381 -0.514 30 20 DBED C#CCCCC(=O)N1CC[C@](O)(CNC(=O)[C@H](C)OCC#C)C1 1039722183 SOJIGBVWQQXKMJ-YOEHRIQHSA-N 320.389 -0.092 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@]1(O)CCN(C(=O)c2cnco2)C1 1039724589 AJDURBZYDGJREX-IAQYHMDHSA-N 321.333 -0.594 30 20 DBED N#Cc1cnccc1N1CCO[C@@H]2CCN(C(=O)C(N)=O)C[C@H]21 1040000565 JZPFTVMDYONBQX-CHWSQXEVSA-N 315.333 -0.755 30 20 DBED Cn1ccc(C(=O)N[C@@H]2CN(c3cnc(C#N)cn3)C[C@H]2O)n1 1041053387 VPQKEPJVUNLWCK-VXGBXAGGSA-N 313.321 -0.939 30 20 DBED CCCOCC(=O)NCC1(O)CN(C(=O)c2ccc(C#N)[nH]2)C1 1041861207 DQHNEGUTWNLZKQ-UHFFFAOYSA-N 320.349 -0.384 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)C[C@@H](C)OC)C1 1041943096 JYDWUSHIHUBARK-NEPJUHHUSA-N 312.366 -0.861 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)c2ccn(C)c2)C1 1042543850 DJRACEKJPCPFLN-UHFFFAOYSA-N 319.361 -0.632 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)c2c[nH]c(C#N)c2)C1 1042669084 FHLCDDYIWSWLGX-UHFFFAOYSA-N 314.345 -0.007 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)c2cc(=O)n(C)o2)C1 1042784679 RWTCLFISBLDBTO-UHFFFAOYSA-N 321.333 -0.915 30 20 DBED C[C@@H]1OCC[C@H]1C(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042960882 PMQDUENCSNFEMN-WCQYABFASA-N 306.362 -0.486 30 20 DBED Cc1nccn1CC(=O)NCC1(O)CN(C(=O)[C@@H](C)C#N)C1 1043126751 CQWMIRSXUHNQHV-JTQLQIEISA-N 305.338 -0.959 30 20 DBED COC1CC(C(=O)N[C@@H]2CN(c3cnc(C#N)cn3)C[C@@H]2O)C1 1044267611 VWXBWNSROHUXIA-BVIDSFGJSA-N 317.349 -0.561 30 20 DBED C[C@@H]1C[C@@H](NCC#N)CCN1C(=O)Cn1ccc(O)nc1=O 1044667960 QKLBCPBKXFEZKP-MNOVXSKESA-N 305.338 -0.558 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)c2ncccc2F)C1 1045265697 OKMKZFKNJCAXCY-UHFFFAOYSA-N 323.324 -0.274 30 20 DBED N#CCN1CC[C@@H](N2CCN(C(=O)C[C@@H]3COC(=O)C3)CC2)C1 1046020314 QHQNVHOBHPZNNN-UONOGXRCSA-N 320.393 -0.318 30 20 DBED C#CCCN1CC[C@H](N2CCN(C(=O)[C@@H]3COC(=O)N3)CC2)C1 1046025352 XHAWISYYHWTOIF-KBPBESRZSA-N 320.393 -0.663 30 20 DBED CN(C(=O)Cc1cnn2ccccc12)[C@H]1CN(CC#N)C[C@@H]1O 1047413006 RAAHZNPEUQXYPQ-GJZGRUSLSA-N 313.361 -0.096 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3cncn3C2)C1 1047434943 BWXRZHDLPCPAIA-BPUTZDHNSA-N 316.405 -0.028 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3nn[nH]c3C2)C1 1047597508 RHWBXHMLLVCFPN-UGFHNGPFSA-N 317.393 -0.564 30 20 DBED CN(C(=O)[C@@H]1Cc2cccnc2C1)[C@H]1CN(CC#N)C[C@@H]1O 1047609963 OAYKXGCBQOBHRO-SNPRPXQTSA-N 300.362 -0.177 30 20 DBED C=C[C@](C)(O)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CSC)C1 1048170192 BOHCCRQSHOTGPX-MJVIPROJSA-N 316.423 -0.293 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCOC2)C1 1048499982 GMYXVWCJDBYDIE-AVGNSLFASA-N 312.366 -0.744 30 20 DBED CC(C)OCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)C#N)C1 1049387907 CTUMRNPMUFPSFS-AGIUHOORSA-N 311.382 -0.009 30 20 DBED CC(=O)N1CCOC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CCN2CC#N 1049908934 OBZKOZSFBVLRSU-RRFJBIMHSA-N 320.393 -0.177 30 20 DBED C=CCN1CCOC[C@@H]1CNC(=O)c1ccnc2c1nnn2C 1051083772 KDADQSDWFRORGC-NSHDSACASA-N 316.365 -0.020 30 20 DBED CC#CCN1CCC[C@@H](NC(=O)c2nnc(O)nc2O)CC1 1052532190 ZHPQEOOPHOYUQR-SNVBAGLBSA-N 305.338 -0.110 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1CNC(=O)C1(C(N)=O)CC1 1052552455 BPNBIZKUVXLEJE-YPMHNXCESA-N 317.389 -0.124 30 20 DBED C#CCN1CCC[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)CC1 1052865901 RKZTYOYXGGIAJJ-LLVKDONJSA-N 314.349 -0.365 30 20 DBED C#CCN1CC2(C1)CN(C(=O)c1nccn3ccnc13)CCO2 1053434470 MKSAXUOIFOXGQP-UHFFFAOYSA-N 311.345 -0.111 30 20 DBED CC1CCN(C(=O)C(=O)N[C@H]2COC3(C2)CN(CC#N)C3)CC1 1053947368 ARLCKALRMOAFJI-CYBMUJFWSA-N 320.393 -0.272 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)[C@@H]3CCN(C(C)=O)C3)CO2)C1 1053995527 ZAQZPGZTSWUYJF-HUUCEWRRSA-N 319.405 -0.162 30 20 DBED CC[C@H](NC(C)=O)C(=O)N1C[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2C1 1055450959 XOOUNSWLNZQIQF-ZZVYKPCYSA-N 320.393 -0.022 30 20 DBED N#Cc1cnc(N2CCN(C(=O)C3(C(N)=O)CC3)CC2)cn1 1055998808 OITDOECTWZMUTK-UHFFFAOYSA-N 300.322 -0.738 30 20 DBED N#Cc1cncc(N2C[C@H]3C(NC(=O)Cn4cccn4)[C@@H]3C2)n1 1056142581 ZLAOLRSJQXIXTN-VXGBXAGGSA-N 309.333 -0.204 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)c1ccc(O)nn1 1056887813 YTVSIYKMBZAMQB-UHFFFAOYSA-N 320.349 -0.608 30 20 DBED C=CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)CCCOC 1057080886 ASCVIZFNPFMMTG-ZDUSSCGKSA-N 316.398 -0.059 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)[C@H]1COCCO1 1057169966 QLDRQNBARSPORE-GFCCVEGCSA-N 300.355 -0.695 30 20 DBED N#Cc1nccc(N2CCCN(C(=O)Cc3nc[nH]n3)CC2)n1 1057175733 YLPMJUKDODIBKD-UHFFFAOYSA-N 312.337 -0.252 30 20 DBED C#CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)c1cn(C)cn1 1057583583 UJAAMFDNUCFBCU-LBPRGKRZSA-N 322.365 -0.991 30 20 DBED C[C@H]1C[C@@H](C(=O)N(CCO)CCNC(=O)C#CC2CC2)CO1 1057949695 YJWCZGIJSKFIET-GXTWGEPZSA-N 308.378 -0.238 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)C[C@@H]1CCN(C)C1 1058157749 HIOZZPMGFWSABZ-OLZOCXBDSA-N 310.398 -0.575 30 20 DBED N#Cc1ccc(N2CC[C@H](NC(=O)[C@H]3CCNC(=O)C3)C2)nn1 1058335837 GOZVSXZXPMBENG-JQWIXIFHSA-N 314.349 -0.431 30 20 DBED Cc1ccc(C#N)c(N2CC[C@@H](NC(=O)Cn3ncnn3)C2)n1 1058452704 YISNEFYDJSKIJD-GFCCVEGCSA-N 312.337 -0.357 30 20 DBED N#Cc1cncc(N2CC[C@H](NC(=O)[C@@H]3CCCNC3=O)C2)n1 1058467278 IGNHQGOTEFJOGL-CMPLNLGQSA-N 314.349 -0.431 30 20 DBED CCc1ncoc1C(=O)NCCN(CCO)C(=O)[C@H](C)C#N 1058656899 MSKGXJXQZILWEG-SNVBAGLBSA-N 308.338 -0.053 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)c1cn(CC)nn1 1058666335 KPEMWOWWUFYSGU-UHFFFAOYSA-N 309.370 -0.185 30 20 DBED C=C1CC(C)(C(=O)NCCN(CCO)C(=O)[C@H]2C[C@H]2C(N)=O)C1 1058856160 KRWREERRDMFPFD-NEPJUHHUSA-N 323.393 -0.599 30 20 DBED C=CCC(C)(C)C(=O)NCCN(CCO)C(=O)Cn1cncn1 1058885407 OLPNBBKFRKSLMJ-UHFFFAOYSA-N 323.397 -0.183 30 20 DBED CNC(=O)NCCC(=O)NCC[C@H]1CCN(C(=O)[C@H](C)C#N)C1 1060289847 TUNGADVDLSINAN-NEPJUHHUSA-N 323.397 -0.180 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCOC[C@H]1CNC(=O)c1cc[nH]n1 1061332190 SZGHUMAVAYQVJC-NWDGAFQWSA-N 322.365 -0.042 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H]1CN(C(=O)c2cn[nH]c2)CCO1 1064902886 VTFOKZCZWACTEK-AAEUAGOBSA-N 320.349 -0.595 30 20 DBED C=CCCC(=O)N1CCO[C@H](CNC(=O)Cn2cnnc2O)C1 1064955521 HWUDNPVPRMVRKR-LLVKDONJSA-N 323.353 -0.707 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@@H](CNC(=O)c3cccnn3)C2)cn1 1067677766 JMGHCTZCUHQBKT-XHDPSFHLSA-N 324.344 -0.030 30 20 DBED CC(C)C#CC(=O)N1CC2(CC[C@@H](CNC(=O)C(N)=O)O2)C1 1068615937 DPEFROUDXGTSBP-NSHDSACASA-N 307.350 -0.993 30 20 DBED C=CCCC(=O)N[C@@H]1COC2(C1)CN(C(=O)[C@H](C)NC(N)=O)C2 1068752940 JYVBMSFAMZXUFL-QWRGUYRKSA-N 324.381 -0.505 30 20 DBED C[C@@H]1[C@@H](N=c2cc[nH]c(C#N)n2)CCN1C(=O)Cn1nccn1 1068904173 UQGHICUXGJDQCK-MNOVXSKESA-N 312.337 -0.537 30 20 DBED C[C@@H]1C[C@H](N=c2cc[nH]c(C#N)n2)CN1C(=O)c1cnnn1C 1069084832 JWDOYROLIWREPV-ZJUUUORDSA-N 312.337 -0.386 30 20 DBED Cc1nonc1CC(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1 1070064088 AQICFWLPMYGMGL-NEPJUHHUSA-N 316.325 -0.923 30 20 DBED C=CCCOCC(=O)N[C@@H]1CCCN(C(=O)CC(=O)NC)C1 1070655057 TXHQBZNYNRKOPW-GFCCVEGCSA-N 311.382 -0.178 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)C[C@@H]4CCC(=O)N4)C[C@@]3(C1)O2 1070867319 HZYUOFXBUSUFJF-UMPJEAMMSA-N 317.389 -0.410 30 20 DBED C#CCCN1CCNC(=O)CCN(C(=O)[C@H]2CCCO2)CC1 1070936854 WTLIQYLOLNLESE-CQSZACIVSA-N 307.394 -0.161 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)CN2CC[C@@H](C)C2)CC1 1071000170 QYHCSRZNCJAJFU-OAHLLOKOSA-N 320.437 -0.388 30 20 DBED CC#CCN1CCCO[C@@H](CNC(=O)[C@H]2CC(=O)N(C)C2)C1 1073630065 MFGSHMQLVUQLGF-KBPBESRZSA-N 307.394 -0.305 30 20 DBED C=C(C)CCN1CCO[C@H]2CCN(C(=O)Cn3cnnn3)C[C@@H]21 1074166497 INKBINGVAWHKKG-KBPBESRZSA-N 320.397 -0.059 30 20 DBED N#CCN1CCO[C@H]2CCN(C(=O)c3cc(C(N)=O)c[nH]3)C[C@@H]21 1074369309 UGFDTCRBWNGQEW-STQMWFEESA-N 317.349 -0.448 30 20 DBED C=CCN1C[C@@H]2CCN(C(=O)[C@@H]3CCN(C)S3(=O)=O)[C@@H]2C1 1076349568 NYVQZRNNPVZIEC-XQQFMLRXSA-N 313.423 -0.261 30 20 DBED C=CCOCC(=O)N[C@@H](C)CCNC(=O)[C@H]1CCC(=O)NC1 1077282638 GXSSCLWODGLKDO-RYUDHWBXSA-N 311.382 -0.274 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2cc(C(F)(F)F)ncn2)C1 1077376965 LGRHDJKCABZBSA-RKDXNWHRSA-N 315.255 -0.206 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)Cc2ccnc(OC)c2)C1 1077681626 IKBKCROHYIKNAJ-ZIAGYGMSSA-N 303.362 -0.183 30 20 DBED C=CCN[C@H]1C[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C12CCC2 1078628146 AZQOVTGFRHCKHJ-WDEREUQCSA-N 318.381 -0.420 30 20 DBED CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)[C@H]2CCCNC2=O)C1 1080417246 ZEODEPOTQGVAQR-PWSUYJOCSA-N 306.366 -0.268 30 20 DBED CC(=O)N[C@@H](C)C(=O)N1CCC(CO)(NC(=O)[C@H](C)C#N)CC1 1080982220 WHLQLEAJMDNCOM-MNOVXSKESA-N 324.381 -0.860 30 20 DBED C=CCCC(=O)N1C[C@H](CNC(=O)c2cc[n+]([O-])cc2)[C@@H](O)C1 1081214998 MZGFGFPWHCQDPI-KBPBESRZSA-N 319.361 -0.165 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@H](CNC(=O)Cn2cccn2)C1 1081259637 NZAPPMFQASVHHX-KGLIPLIRSA-N 318.377 -0.522 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)COC(C)C)C[C@H]1O 1081344322 ONEGAWIGHHAGIJ-QWHCGFSZSA-N 314.382 -0.451 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@H](CNC(=O)CNC(=O)CC)C1 1081349794 UEXGJVVLZXDXMA-OLZOCXBDSA-N 323.393 -0.748 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cc(=O)c(OC)c[nH]1 1083143407 GOFOWWNBWUVAQI-SWLSCSKDSA-N 317.345 -0.458 30 20 DBED COc1cccc2c(C(=O)N[C@@H]3CN(CC#N)C[C@@H]3O)n[nH]c12 1083494115 KMADURMBUBCCAF-MNOVXSKESA-N 315.333 -0.130 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)C1 1083504989 WWGQNQHNHUJMPB-XQQFMLRXSA-N 309.410 -0.019 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(Cc2nncs2)C[C@@H]1O 1083790083 NOZVHDDFEYMVRI-WYUUTHIRSA-N 324.406 -0.210 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2cc(-c3ccco3)[nH]n2)C1 1083800523 XSQREXBJEAMNRV-NEPJUHHUSA-N 301.306 -0.032 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](NC(=O)CN2CCC(=O)NC2=O)C1 1083925355 ZRCFBZVBFSPPMF-NEPJUHHUSA-N 324.381 -0.944 30 20 DBED CN1CC[C@@H](C(=O)N2C[C@H]3CCN(CC#N)C[C@H]32)S1(=O)=O 1084715113 OWDVUCAZGYAJAX-UTUOFQBUSA-N 312.395 -0.923 30 20 DBED N#CCN[C@@H]1CCCCCN(C(=O)c2cn(CC(N)=O)nn2)C1 1088430325 MJXJTJQPQXNLSH-LLVKDONJSA-N 319.369 -0.739 30 20 DBED N#Cc1c(F)cccc1N1CCCO[C@@H](CNC(=O)C(N)=O)C1 1089555262 PPKJXPUYTSSAPU-JTQLQIEISA-N 320.324 -0.106 30 20 DBED C#CCN1C[C@H](NC(=O)c2nnn(C)n2)CC2(CCOCC2)C1 1089951285 HMNLUSQIFRRYRH-GFCCVEGCSA-N 318.381 -0.556 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cn(CCOC)nc2C)[C@@H](O)C1 1090259368 UDOHJVKPZJOBMI-GJZGRUSLSA-N 320.393 -0.364 30 20 DBED CCC(=O)NCC(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1O 1090389276 JZEPZMFXZBTUFJ-VXGBXAGGSA-N 317.349 -0.855 30 20 DBED Cc1cc(C#N)nc(N2C[C@@H](NC(=O)CC(N)=O)[C@H](C)C2)n1 1090668810 GNTVNJCAHKNEIY-LDYMZIIASA-N 302.338 -0.527 30 20 DBED COCc1nc(CC(=O)N[C@@H]2CCN(CC#N)C[C@H]2O)cs1 1090709972 RNTUEMKEQUUWGH-VXGBXAGGSA-N 324.406 -0.093 30 20 DBED C[C@@H]1CN(C(=O)CCN(C)C)C[C@H]1N=c1cc[nH]c(C#N)n1 1091019674 ARBLCFFCFYTZNP-VXGBXAGGSA-N 302.382 -0.019 30 20 DBED CC(C)(C)C(=O)C(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1091079524 SGXDRRUWVPRWMK-MNOVXSKESA-N 317.349 -0.371 30 20 DBED CCC(=O)NCC(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@@H]1O 1091080781 MKAWGTGGCPUFEV-OLZOCXBDSA-N 317.349 -0.855 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1091093238 TVXOZPOYQXXYQW-TYNCELHUSA-N 317.349 -0.659 30 20 DBED CC(=O)NCC(=O)N[C@H]1CCN(c2nccnc2C#N)[C@@H]1C 1091926423 KLRXDBLJBWHRMZ-KOLCDFICSA-N 302.338 -0.432 30 20 DBED CCC(=O)NCC(=O)N[C@H]1[C@@H]2CN(c3ccnc(C#N)n3)C[C@@H]21 1093236579 YYBHLSFGXSQCRO-RTUWITSCSA-N 314.349 -0.575 30 20 DBED N#Cc1nccnc1N1C[C@H]2[C@H](NC(=O)CCn3ccnn3)[C@H]2C1 1093260734 PCBADQRGGAJOFZ-YABSGUDNSA-N 324.348 -0.419 30 20 DBED C[C@@H](C(=O)NCCNc1cncc(C#N)n1)[C@H]1CCC(=O)N1 1094132910 IRLWXRSVTYWTFE-MWLCHTKSSA-N 302.338 -0.209 30 20 DBED C[C@@H](C(=O)NCCN=c1cc[nH]c(C#N)n1)[C@@H]1CCC(=O)N1 1094133016 JQISHLVQZRHZTB-ZJUUUORDSA-N 302.338 -0.787 30 20 DBED C#CCN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN1CCOCC1=O)C2 1094938287 VZPCVILFKPXRLW-IHRRRGAJSA-N 305.378 -0.553 30 20 DBED CNC(=O)CC(=O)N(C)C1CCN(c2ccnc(C#N)n2)CC1 1096108485 SMILHBNHVWXLIA-UHFFFAOYSA-N 316.365 -0.088 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](Nc2cnc(F)cn2)C1 1096934432 IEEKQSXHYWXCQC-JTQLQIEISA-N 305.313 -0.232 30 20 DBED Cc1cc(=N[C@@H](C)CNC(=O)[C@H](C)NC(N)=O)c(C#N)c[nH]1 1097774202 NPBNIYPSYHTLAE-UWVGGRQHSA-N 304.354 -0.343 30 20 DBED C#CCN(CCO)C1CCN(C(=O)[C@H]2CCCC(=O)N2)CC1 1098401142 DWYRPKAZGMBVHY-CQSZACIVSA-N 307.394 -0.426 30 20 DBED C[C@@H](CCNC(=O)C1(C(N)=O)CC1)Nc1nccnc1C#N 1099658592 SFZDAKMTXQGOHU-VIFPVBQESA-N 302.338 -0.080 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)Cc2cnn(C)c2)[C@@H](O)C1 1099713407 WEPYESGHFNDAOX-CABCVRRESA-N 322.409 -0.283 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(Cc2nonc2C)C[C@@H]1O 1099740966 LTAXQWGKJBWHCP-AAEUAGOBSA-N 310.354 -0.368 30 20 DBED N#Cc1cccc(CN2CC[C@@H](NC(=O)CC(N)=O)[C@@H](O)C2)c1 1099744039 QVTZBPMJYFKGGR-KGLIPLIRSA-N 316.361 -0.515 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2cc(OC)no2)[C@H](O)C1 1099782955 JBBDUJRMDOCCCF-NWDGAFQWSA-N 323.349 -0.502 30 20 DBED N#CCN1CC[C@@H](NC(=O)CCn2ccccc2=O)[C@H](O)C1 1099857722 AXCREXOMJJTLAV-CHWSQXEVSA-N 304.350 -0.687 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)CCC(F)F)[C@H](O)C1 1099918550 NHOOGPHLQPTTNR-GHMZBOCLSA-N 319.352 -0.115 30 20 DBED C#CCCN1CC[C@H](NC(=O)CCc2cnn(C)n2)[C@@H](O)C1 1100009489 ZASMOYMXPBOTOL-KBPBESRZSA-N 305.382 -0.678 30 20 DBED C#CCN1CC[C@H](NC(=O)C2(NC(N)=O)CCCCC2)[C@@H](O)C1 1100026976 KLAFVCHWNYWQGO-STQMWFEESA-N 322.409 -0.458 30 20 DBED CCNC(=O)CC(=O)NCCN(C)c1nc(C)cc(C#N)n1 1100038572 DEAFKLPLNWJZBQ-UHFFFAOYSA-N 304.354 -0.265 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)Cc2nonc2C)[C@H](O)C1 1100055591 FYKQRNJATPKPJK-TZMCWYRMSA-N 324.381 -0.325 30 20 DBED CC(=O)N1CC(C(=O)NCCN(C)c2cncc(C#N)n2)C1 1100077738 VBZSZZBMQSOCJU-UHFFFAOYSA-N 302.338 -0.621 30 20 DBED CC[C@@H](NC(C)=O)C(=O)NCCN(C)c1cncc(C#N)n1 1100339927 HDAIOMWXLVMGMT-GFCCVEGCSA-N 304.354 -0.185 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)[C@H](C(C)C)N(C)C)C1 1100426324 BQKSADKEVAHLDW-XUJLQICISA-N 322.453 -0.194 30 20 DBED CCN(CCNC(=O)COCCOC)c1cncc(C#N)n1 1100472805 MHFHUELYLLAMNQ-UHFFFAOYSA-N 307.354 -0.046 30 20 DBED CCN(CCNC(=O)[C@@H]1CCC(=O)NC1)c1ccnc(C#N)n1 1100765381 GFJDYTZVBAXZIP-LLVKDONJSA-N 316.365 -0.183 30 20 DBED C[C@H](NC(N)=O)C(=O)NC[C@H]1CCCN1c1ccc(C#N)nn1 1100825583 SZAGSANMUXERCT-GXSJLCMTSA-N 317.353 -0.510 30 20 DBED Cc1c(C(=O)N(C)CCNc2cnc(C#N)cn2)nnn1C 1101535149 UECJMEHWMHNOGD-UHFFFAOYSA-N 300.326 -0.031 30 20 DBED CN(CCN1CCN(c2ccc(C#N)nc2)CC1)C(=O)C(N)=O 1102421592 ZEAVTJXFMIRHRQ-UHFFFAOYSA-N 316.365 -0.981 30 20 DBED Cc1cc(C#N)nc(NC[C@H](C)N(C)C(=O)CNC(N)=O)n1 1104451921 BJSZUFUPTKNXSZ-VIFPVBQESA-N 305.342 -0.416 30 20 DBED Cc1nsc(N(C)CCN(C)C(=O)[C@@H]2CNC(=O)N2)c1C#N 1105540963 GPWQIVNYLWXIJC-JTQLQIEISA-N 322.394 -0.101 30 20 DBED Cc1nc(NC[C@@H](O)CNC(=O)[C@@H](C)C#N)c2cnn(C)c2n1 1105770979 DWMAPAKKQHHDHS-WCBMZHEXSA-N 317.353 -0.280 30 20 DBED Cc1ncc(CC(=O)NC[C@H](O)CNc2nccnc2C#N)o1 1106004362 QHZHRBNBBPTTBZ-JTQLQIEISA-N 316.321 -0.224 30 20 DBED C[C@H]1CCN(CC(=O)NC[C@H](O)CN=c2cc[nH]c(C#N)n2)C1 1106103798 CPDDACYAZLMRJJ-NWDGAFQWSA-N 318.381 -0.999 30 20 DBED Cc1cc(=NCC[C@@H](C)NC(=O)[C@H]2CNC(=O)N2)c(C#N)c[nH]1 1106544326 ZGECUHMMWAYODI-NOZJJQNGSA-N 316.365 -0.328 30 20 DBED N#Cc1cncc(NC/C=C\CNC(=O)[C@@H]2CCNC(=O)C2)n1 1107122830 YRXQFSQXJAKNKQ-RFMOXSJOSA-N 314.349 -0.041 30 20 DBED N#Cc1nc(=NC/C=C\CNC(=O)CCc2nc[nH]n2)cc[nH]1 1107147177 JZUHBWHXVOODER-UPHRSURJSA-N 312.337 -0.395 30 20 DBED CN(C)CC1(C(=O)NCc2cn(C3CN(CC#N)C3)nn2)CC1 1107199854 QOHZUHZWSXOKMY-UHFFFAOYSA-N 317.397 -0.384 30 20 DBED Cc1cc(=NC[C@@H](C)NC(=O)CN2CCOCC2)c(C#N)c[nH]1 1107711026 RIPGKCSNGQJTCC-CYBMUJFWSA-N 317.393 -0.068 30 20 DBED C=CCCN1CCO[C@](C)(CNC(=O)Cn2cnnc2O)C1 1107886404 HYSLYCPPLAYFBV-CQSZACIVSA-N 309.370 -0.233 30 20 DBED C#CCCN1CCO[C@](C)(CNC(=O)CN2CCCNC2=O)C1 1108048905 FZASVNPLPFQSDY-MRXNPFEDSA-N 322.409 -0.368 30 20 DBED CC#CCN1CCO[C@@](C)(CNC(=O)CS(=O)(=O)CC)C1 1108419819 RZCAACNBYGVBGS-AWEZNQCLSA-N 316.423 -0.349 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)CC[C@@H]3CCCO3)CC2=O)C1 1108506686 XKWMRDCSDHANQX-ZFWWWQNUSA-N 319.405 -0.020 30 20 DBED CO[C@@H](C)CCC(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1 1108536652 HOPODJRYCIWYCM-RYUDHWBXSA-N 308.382 -0.274 30 20 DBED C=CCCN1CC(N2C[C@H](NC(=O)[C@@H](C)CC(N)=O)CC2=O)C1 1108561361 XYTFPWRLXLJTGX-NWDGAFQWSA-N 322.409 -0.525 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H](C)OCC 1110318234 JPLSFSZEBQJTJL-SYQHCUMBSA-N 307.394 -0.118 30 20 DBED N#Cc1ccc(NC2(CNC(=O)[C@@H]3CNC(=O)N3)CC2)cn1 1110324203 CPKDEMLURYJRFQ-NSHDSACASA-N 300.322 -0.305 30 20 DBED CN1C[C@@H](C(=O)NCC2(N=c3cc[nH]cc3C#N)CC2)CC1=O 1110381077 SVKLILODKVAUSH-NSHDSACASA-N 313.361 -0.086 30 20 DBED CO[C@H](C)C(=O)NC[C@H]1COCCN1c1cncc(C#N)n1 1111658054 VOKPOUCIHVSNRD-PWSUYJOCSA-N 305.338 -0.295 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1O 1112701194 DKPZHVOBAKIYFS-DGCLKSJQSA-N 317.349 -0.536 30 20 DBED C[C@H](C#N)C(=O)N1CCN(CC(=O)NC[C@@H]2CCCO2)CC1 1112711818 TXBCBIWFDNFHSC-OLZOCXBDSA-N 308.382 -0.415 30 20 DBED C#CCCCC(=O)N1CCN(CCN(C)S(C)(=O)=O)CC1 1112808878 RPPTZZBYNGOHGI-UHFFFAOYSA-N 315.439 -0.175 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)[C@H](C)Nc1cncc(C#N)n1 1112978706 OKZZYQRVYGSINJ-QWRGUYRKSA-N 314.349 -0.207 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)c2c[nH]nc2C)CC1 1113176799 SBPUYAJYWQPETP-GFCCVEGCSA-N 303.366 -0.386 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)c3ccc(C)o3)[C@@H]2C1 1113809189 CXEOIHQTQARRJE-VXGBXAGGSA-N 301.346 -0.003 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3ccc(C)n3C)[C@H]2C1 1113854512 IZUKOCPPMBCQPY-STQMWFEESA-N 314.389 -0.257 30 20 DBED CC(C)SCC(=O)NC1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]12 1113892740 CALMVBIDGPXLDY-GHMZBOCLSA-N 310.423 -0.186 30 20 DBED CC(=O)NCC(=O)N[C@H]1CN(c2nccnc2C#N)CC[C@@H]1C 1113995053 WQSIAYQSJQZQDT-GWCFXTLKSA-N 316.365 -0.185 30 20 DBED C=CCOCC(=O)N[C@H]1[C@@H]2CN(CC(=O)Nc3ccon3)C[C@@H]21 1114051085 OIHNKUNJFUZBTP-HBYGRHMLSA-N 320.349 -0.138 30 20 DBED N#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3ccc(C#N)[nH]3)[C@H]2C1 1114143469 OYLDUZNYCUVTFF-YABSGUDNSA-N 312.333 -0.814 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@H]1[C@@H]2CN(CCN3CCNC3=O)C[C@@H]21 1114193597 DCDMREXWWCYSQI-DMEJVMROSA-N 322.409 -0.615 30 20 DBED N#CCNC(=O)CN1C[C@@H]2C(NC(=O)C3C=CC=CC=C3)[C@H]2C1 1114343155 JGAROZJBTZZQGA-KBPBESRZSA-N 312.373 -0.029 30 20 DBED CC(=O)NCC(=O)NCC1[C@H]2CN(c3nccnc3C#N)C[C@H]12 1114503579 PZTRQLNIMYHTPH-VXGBXAGGSA-N 314.349 -0.717 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)[C@@]3(C)CCCOC3)[C@@H]2C1 1115022679 GBYYSIDNZGFTKY-XNJGSVPQSA-N 319.405 -0.401 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)[C@@H]3CCN(C(C)=O)C3)[C@@H]2C1 1115178598 LUUJICIPWSIBET-RBSFLKMASA-N 319.405 -0.449 30 20 DBED N#CCN1C[C@H]2C(NC(=O)CCNC(=O)c3ccco3)[C@@H]2C1 1115212387 AYIXMPFVECWCIJ-GHMZBOCLSA-N 302.334 -0.031 30 20 DBED N#CCN1C[C@@H]2C(NC(=O)CCNC(=O)c3cnccn3)[C@H]2C1 1115261590 UCZGAMLGFNUZFF-QWRGUYRKSA-N 314.349 -0.834 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CC[C@H](CN(C)C)C1)[C@H]1CCCO1 1116955186 LUFZIUYGIPTNAP-HZSPNIEDSA-N 307.394 -0.307 30 20 DBED COC[C@H](NC(=O)C(=O)N1CC[C@](F)(C#N)C1)[C@H]1CCCO1 1117598819 JYHQLCWIZJZBFI-WDMOLILDSA-N 313.329 -0.239 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CCC[C@@H]2C[C@H](C)O)nn1 1118115903 KQBPUGQDIDUIDJ-WCQYABFASA-N 321.381 -0.158 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)NC1CCN(CC#N)CC1 1119186986 OTCQZNPQOJGPBX-ZDUSSCGKSA-N 320.393 -0.365 30 20 DBED CN1CCC[C@H]1C(=O)NC[C@@H](CO)Nc1ncccc1C#N 1121242871 RYKBXTWJDXGOGO-STQMWFEESA-N 303.366 -0.064 30 20 DBED C=CCOCC(=O)NC[C@@H](CO)Nc1cc(Cl)c(O)nn1 1121325404 ZNSBPLQDRFUEPB-QMMMGPOBSA-N 316.745 -0.073 30 20 DBED Cn1ncc(C(=O)NC[C@@H](CO)Nc2ncccc2C#N)c1N 1121331371 FPHRIGQGFCFCNA-JTQLQIEISA-N 315.337 -0.528 30 20 DBED C#CCCCC(=O)NC[C@H](CO)Nc1nccn2nnnc12 1121371998 SCPFNXZSFQMSBF-SNVBAGLBSA-N 303.326 -0.788 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@H](CO)Nc1cc(COC)ncn1 1121405913 QSDLDLNYQMMUJK-SWLSCSKDSA-N 324.381 -0.161 30 20 DBED N#Cc1nccnc1N[C@H](CO)CNC(=O)CC1(O)CCC1 1121528617 OQFOUKXOTIHLAK-JTQLQIEISA-N 305.338 -0.458 30 20 DBED C[C@H](CC(=O)NC[C@@H](CO)Nc1ccc(C#N)cn1)NC(N)=O 1122068372 CCSGOWHZVGFPBH-KOLCDFICSA-N 320.353 -0.711 30 20 DBED C[C@@H](CC(F)F)C(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1 1122267565 VGTJVVMQTCZLRL-IUCAKERBSA-N 313.308 -0.050 30 20 DBED Cc1cc(=N[C@@H](CO)CNC(=O)CCCN(C)C)c(C#N)c[nH]1 1122416646 LBZSIUULEJCCKS-CQSZACIVSA-N 319.409 -0.086 30 20 DBED Cc1[nH]ccc1C(=O)N(C)C[C@H](O)CN=c1cc[nH]c(C#N)n1 1124214327 VYSDPGQZLFISTE-LLVKDONJSA-N 314.349 -0.048 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)/C=C/C1CC1 1124219231 JPDMABFFDGSNMR-ITKZLYELSA-N 301.350 -0.032 30 20 DBED C=C[C@@](C)(O)CC(=O)N(C)C[C@H](O)CNc1nccnc1C#N 1124267779 YVJAWFDRUFUVMB-IAQYHMDHSA-N 319.365 -0.093 30 20 DBED CN(C[C@@H](O)CN(C)c1nccnc1C#N)C(=O)[C@H]1CCOC1 1124996052 XLZPSXHIYZGIRT-RYUDHWBXSA-N 319.365 -0.360 30 20 DBED C=CCOCCCC(=O)NCCNCCNS(=O)(=O)CC 1125255897 OLKKQYXJNOOIFP-UHFFFAOYSA-N 321.443 -0.386 30 20 DBED C#CCNC(=O)CC(=O)NCCNCc1nc(C2CC2)nn1C 1125998152 LDKHAGUAJUGETF-UHFFFAOYSA-N 318.381 -0.962 30 20 DBED CN(CCOCCN=c1cc[nH]c(C#N)n1)C(=O)c1ccon1 1127179799 KDZBROLSDAONLB-UHFFFAOYSA-N 316.321 -0.041 30 20 DBED C#CCN1CCn2ncc(CNC(=O)CCn3cncn3)c2C1 1128207015 GLVBPCYLFYETPF-UHFFFAOYSA-N 313.365 -0.370 30 20 DBED N#CCN1CCn2ncc(CNC(=O)[C@@]3(F)CCOC3)c2C1 1128458778 XBONYRCFOZKJMB-CQSZACIVSA-N 307.329 -0.033 30 20 DBED C=CCCCC(=O)N[C@@H]1CN(CC(=O)NC)C[C@@H]1n1ccnn1 1129209535 JBWKKXAEDJLBJW-OLZOCXBDSA-N 320.397 -0.278 30 20 DBED C=C(C)CN[C@@H]1CN(C(=O)[C@@H](C)NC(C)=O)C[C@@H]1n1ccnn1 1129547981 WFHJNZWDNMLNRF-BNOWGMLFSA-N 320.397 -0.280 30 20 DBED COc1cncc(C(=O)NCCNCC(=O)NCC#N)c1C 1130247368 UUXAMQVCMIDIDZ-UHFFFAOYSA-N 305.338 -0.642 30 20 DBED CC(=O)N[C@H](C)C(=O)N1C[C@H]2C[C@@H]3CN(CC#N)C[C@]2(C1)O3 1131177111 DWCSHNGZOAFDET-BPGGGUHBSA-N 306.366 -0.664 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)[C@@]2(C)CNC(=O)C2)C1=O 1131690064 QALGPNIHMSZDHL-XHDPSFHLSA-N 308.382 -0.995 30 20 DBED CC#CCN1CC[C@@]2(C1)CN(C(=O)CCNC(N)=O)C[C@@H](C)O2 1131698239 XIBIEHBPGKRJIR-CZUORRHYSA-N 322.409 -0.240 30 20 DBED C[C@@H]1CC[C@H](NC(=O)CS(=O)(=O)N(C)C)CN1CC#N 1132453217 LPZAZZHYXFIYPZ-MNOVXSKESA-N 302.400 -0.630 30 20 DBED C=CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)CCc1nc[nH]n1 1134044086 UXENNYIHSSDCIM-VXGBXAGGSA-N 322.413 -0.088 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)c1cn(C)nn1 1134269780 JNZAOYJOYSOOQQ-QWRGUYRKSA-N 306.370 -0.949 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)c1cnnn1CC 1134321267 GNBZXPOFMWKTIJ-NEPJUHHUSA-N 320.397 -0.466 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)c1cn(C(C)C)nn1 1135981569 QSQOHRRHMSSINX-NSHDSACASA-N 308.386 -0.131 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1cnn(CC2CC2)c1 1146943380 IBQGJPYETUXKRM-LBPRGKRZSA-N 317.393 -0.250 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)CCCOC)C2 1147111750 NOVDCXIRTVCFOW-UHFFFAOYSA-N 307.394 -0.303 30 20 DBED CC[C@H](C(=O)N1CC2(CCN(CC(=O)NCC#N)C2)C1)N(C)C 1147774120 QNMKOIBJQQERJI-CYBMUJFWSA-N 321.425 -0.499 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)CCC(=O)NCCC)C1=O 1148216629 IMTFERINEODJIA-ZDUSSCGKSA-N 324.425 -0.215 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H](C)N(CC)CC(=O)NCCC 1152855179 XCLNUFHOQKUBDA-CYBMUJFWSA-N 324.425 -0.521 30 20 DBED C=CCNC(=O)CNCCCNC(=O)c1ccnc2[nH]cnc12 1159008166 FVXJBIQIWQXXDK-UHFFFAOYSA-N 316.365 -0.030 30 20 DBED CCO[C@@H](C)C(=O)NCCC1(CNCC(=O)NCC#N)CC1 1163529163 FFRVWGJYVTUHBE-LBPRGKRZSA-N 310.398 -0.073 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)[C@H](COC)OC)C1=O 1166164241 JFPDHCSFNLKSKZ-STQMWFEESA-N 313.398 -0.469 30 20 DBED N#CCN1CCO[C@@H]2CCN(C(=O)CC(=O)NCC3CC3)C[C@@H]21 1177130409 ANFBEMSXIZXPIP-UONOGXRCSA-N 320.393 -0.272 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)c2cnnn2C)[C@H]1C 1178595070 NTJQMFUQPRKMFV-WOPDTQHZSA-N 318.381 -0.854 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)CN2CCCC2)[C@H]1C 1180132007 RMSDHSKIOLLJHI-KBPBESRZSA-N 306.410 -0.589 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2cnns2)C1 1181250749 HDWBLZGJZRQUSO-NXEZZACHSA-N 307.379 -0.520 30 20 DBED CC#CCN[C@@H]1CCN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 1186404297 JYMCYDPZYIRBQR-LLVKDONJSA-N 314.349 -0.715 30 20 DBED N#CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3cnns3)[C@@H]2C1 1186994999 ZWNRWLUXVWMPTB-VHSXEESVSA-N 320.378 -0.676 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)[C@@H](C)CN2CCOCC2)C1 1187850661 FNSVYDJLQZEBCG-JKSUJKDBSA-N 323.437 -0.205 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](N(C)CC(=O)N(C)CC)C1 1189761252 XLIXUMPELLGYCQ-CYBMUJFWSA-N 322.409 -0.863 30 20 DBED C=CCOCC(=O)N[C@@H]1CN([C@H](C)c2ncccn2)C[C@H]1O 1191778264 TXBSQVKJPQUTHD-JHJVBQTASA-N 306.366 -0.099 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)[C@H](OC)C(C)C)C1 1192160828 FKQLYMWPTUAUGM-UKRRQHHQSA-N 309.410 -0.061 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)COCc2ccnc(O)c2)C1 1194077113 XPVVUDFSLSRNEZ-ZIAGYGMSSA-N 319.361 -0.512 30 20 DBED C[C@H](OCC1CC1)C(=O)N1CCCN(CC(=O)NCC#N)CC1 1195148645 GQFIIKKURXMILD-ZDUSSCGKSA-N 322.409 -0.024 30 20 DBED C=CCCCN1C[C@@H](O)[C@H](NC(=O)COCc2nncn2C)C1 1197381528 BIVNTXWMLOEHTN-CHWSQXEVSA-N 323.397 -0.541 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)C[C@H](C)N2CCCC2=O)C1 1197769031 IBZZKGDCQNQMHY-BFHYXJOUSA-N 307.394 -0.428 30 20 DBED C#CCNC(=O)CC(=O)N1CCC(NCc2n[nH]c(C)n2)CC1 1200171152 SOHSOTALKRNAFG-UHFFFAOYSA-N 318.381 -0.667 30 20 DBED CC(=O)N1CC[C@@H](C(=O)N2CCCO[C@H](CNCC#N)C2)C1 1201957684 DXQZHVYPFJHYSE-ZIAGYGMSSA-N 308.382 -0.415 30 20 DBED NC(=O)NC(=O)CN[C@H]1C[C@H](NC(=O)C#CC2CC2)C12CCC2 1202889430 XJEHYXAMTPXRTA-RYUDHWBXSA-N 318.377 -0.388 30 20 DBED C=C(Cl)CNC1CCN(C(=O)CS(=O)(=O)NC)CC1 1203736220 UPAKGSNLOAEGOL-UHFFFAOYSA-N 309.819 -0.131 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)COC(C)(C)C)[C@H](C)C1 1206889735 GJZUZKHXUYAZEJ-CHWSQXEVSA-N 309.410 -0.013 30 20 DBED CCS(=O)(=O)N[C@H](C)C(=O)N1CCC[C@@H](NCC#N)C1 1208108866 CTDYQHBRZTUMEG-GHMZBOCLSA-N 302.400 -0.582 30 20 DBED C=CCCCN[C@H]1CCCN(C(=O)c2cn(CC(N)=O)nn2)C1 1211257332 QXRSQXMEUDAPEY-LBPRGKRZSA-N 320.397 -0.076 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)CNC(=O)C2CC2)C[C@H]1C 1214216843 LFJJOAWWWYFXOY-TZMCWYRMSA-N 307.394 -0.401 30 20 DBED C/C=C(/C)C(=O)N1CCO[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1217621303 ZHPMMFUKGPBZBM-CJULTGEBSA-N 306.366 -0.496 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)/C=C\C(C)(C)C)C1 1219371645 YGIYNHLTFTTWQM-ANXBZSGSSA-N 321.421 -0.112 30 20 DBED Cc1cc(C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@@H]2O)oc1C 1219458140 QUWKOQLHEFUVKS-NEPJUHHUSA-N 320.349 -0.689 30 20 DBED C=C(C)[C@H](CC(=O)N[C@@H]1CN(CCCO)C[C@@H]1O)OCC 1219732260 REJFARROXVXJRC-RDBSUJKOSA-N 300.399 -0.099 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2cc(F)c[nH]2)C1 1220024418 KIRUEEFZJCKIOP-NEPJUHHUSA-N 310.329 -0.769 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)[C@@H](CCC)S(N)(=O)=O)C1 1220068888 QVTLISWKZBSTLO-GRYCIOLGSA-N 319.427 -0.819 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)c2cocc2C)C1 1220142832 KAZUACXXNDVMOZ-BNOWGMLFSA-N 319.361 -0.499 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(Cc2n[nH]c(C)n2)C[C@@H]1O 1221139625 GRUDGPUEFJSTGI-NEPJUHHUSA-N 309.370 -0.633 30 20 DBED C=C[C@](C)(O)CC(=O)NC1CCN(Cc2nnn(C)n2)CC1 1227114060 JERJIAHJHIBWMC-AWEZNQCLSA-N 308.386 -0.382 30 20 DBED CNC(=O)NC(=O)CN1CCC(NC(=O)C#CC2CC2)CC1 1227290509 ZRMFHSZWXRHUCA-UHFFFAOYSA-N 306.366 -0.564 30 20 DBED COCC#CCN1CCC(NC(=O)[C@H]2CC(=O)N(C)C2)CC1 1227629673 ZQXNCGRKCHKPNK-ZDUSSCGKSA-N 307.394 -0.305 30 20 DBED CCCNC(=O)NC(=O)CN1CC[C@@H]1CN(C)C(=O)[C@@H](C)C#N 1231246219 DXSQUYMTVAQCNP-NWDGAFQWSA-N 323.397 -0.085 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@@H]1CN(C)C(=O)c1cn(C)nn1 1234051833 WSVUFYVDKFGYPY-VXGBXAGGSA-N 318.381 -0.901 30 20 DBED C[C@@]1(C#N)CCCN(C(=O)C(=O)NCCNC(=O)C2CC2)C1 1322158854 ZKLDONPORDSSAD-HNNXBMFYSA-N 306.366 -0.219 30 20 DBED C=CCNC(=O)NC(=O)CN1C(=O)NC2(CCOCC2)C1=O 1322404502 OZCPMRFSSCDCQQ-UHFFFAOYSA-N 310.310 -0.901 30 20 DBED C#CCOCCNC(=O)C(=O)NCc1c(O)nnc(C)c1C 1322662161 LFJCRSCOTSVXSN-UHFFFAOYSA-N 306.322 -0.819 30 20 DBED C=CCN1CCC(NC(=O)C(=O)N[C@@H]2CCN(C)C2=O)CC1 1322802598 NBTKWZPUYHGUBO-GFCCVEGCSA-N 308.382 -0.900 30 20 DBED C#C[C@@H](NC(=O)C(=O)N1CCC(C)(CO)CC1)[C@H]1CCCO1 1324239792 ZGMSRGYJJJDCFL-CHWSQXEVSA-N 308.378 -0.096 30 20 DBED C=C(C)COCCNC(=O)C(=O)N1CCN2CCOC[C@@H]2C1 1324309861 UPAGMJJLGIQEBI-ZDUSSCGKSA-N 311.382 -0.762 30 20 DBED C=CCOC[C@H](NC(=O)C1CCS(=O)(=O)CC1)C(=O)OC 1325062704 CMYLMVUAOMDNTO-NSHDSACASA-N 319.379 -0.328 30 20 DBED C=CCN(CCOC)C(=O)C(=O)NC[C@@]1(OC)CCOC1 1325733608 MEFILZVVEGMQIP-AWEZNQCLSA-N 300.355 -0.431 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)NC[C@H](C)C1CC1 1327903604 OXWIKSRKHMHPSF-JTQLQIEISA-N 302.396 -0.134 30 20 DBED CS(=O)(=O)CCOCCNC(=O)N1CC[C@@](O)(CC#N)C1 1329238996 GYJDHZKWEWVZMO-LBPRGKRZSA-N 319.383 -0.892 30 20 DBED CCNC(=O)[C@@H](C)NC(=O)C(=O)Nc1cc(C)c(C#N)cn1 1329897486 FVPHFXKCUWDDKG-SECBINFHSA-N 303.322 -0.159 30 20 DBED Cn1c(S)nnc1CCNC(=O)NCCn1cnc(C#N)n1 1330702646 JWNKTAPSZVVCJC-UHFFFAOYSA-N 321.370 -0.891 30 20 DBED C=CCN(C(=O)C(=O)N1CCO[C@H]([C@H](C)N)C1)[C@H](C)COC 1333652991 CKNMAIYSVJDBKS-AGIUHOORSA-N 313.398 -0.390 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2CN)CCN1C1CC1 1334044776 DIOQWUNPWPNWNV-CHWSQXEVSA-N 305.382 -0.865 30 20 DBED COCC[C@H](NC(=O)C(=O)Nc1cccc(C#N)c1)C(N)=O 1338724392 PBGWNZMCZNBPBB-NSHDSACASA-N 304.306 -0.497 30 20 DBED C=CCn1c(N2CC(=O)N(C)C[C@H]2C)nnc1[C@]1(O)CCOC1 1342443119 QFFKGDXGGZRNAX-ABAIWWIYSA-N 321.381 -0.261 30 20 DBED C#CCSCCNC(=O)C(=O)NCCNC(=O)c1ccco1 1342512313 SSEFLQQOWZPHQQ-UHFFFAOYSA-N 323.374 -0.392 30 20 DBED CCn1c([C@@H]2C[C@H]2C#N)nnc1N1C[C@H]2C(=O)N(C)C(=O)[C@H]2C1 1342817306 PKUJFQSDHWCGFG-ZRUFSTJUSA-N 314.349 -0.024 30 20 DBED CCN(C(=O)C(=O)N1CCC[C@@H](CC#N)C1)[C@@H]1CCNC1=O 1346980964 OGUMYZYEZXNWFP-NWDGAFQWSA-N 306.366 -0.124 30 20 DBED C=CCOCCNC(=O)C(=O)N[C@H]1CCN(C(=O)NCC)C1 1347345796 OJAZWHOMIZCATM-NSHDSACASA-N 312.370 -0.775 30 20 DBED CN1CCC[C@@H](NC(=O)C(=O)N2CCC[C@@](C)(C#N)C2)C1=O 1352329884 MOOUGMNAMBEHKH-ABAIWWIYSA-N 306.366 -0.124 30 20 DBED COC(=O)C[C@H](NC(=O)Cn1cc(C#N)c(O)nc1=O)C1CC1 1362101704 IKZKMSGDUZJQJE-JTQLQIEISA-N 320.305 -0.722 30 20 DBED CC[C@H]1CN(C)CCCN1C(=O)Cn1cc(C#N)c(O)nc1=O 1362486742 ZJKGEJBZBXJVSY-LBPRGKRZSA-N 319.365 -0.237 30 20 DBED C=C(Cl)CNC[C@@H](O)CNC(=O)C[C@@H]1CCCC(=O)N1 1367608920 WKAATQFJWYHHAX-WDEREUQCSA-N 303.790 -0.136 30 20 DBED COC(=O)NCC(=O)N1CCCC2(C1)CN(C(=O)[C@H](C)C#N)C2 1370263232 CIUXXVPMNPFVEP-LLVKDONJSA-N 322.365 -0.047 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CCN(C(=O)CN2CCCCC2=O)C1 1372297408 COZCDVLEYBVXMJ-RYUDHWBXSA-N 306.366 -0.124 30 20 DBED CC(=O)N[C@H](C)C(=O)N1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 1385622185 PKBDRYAHXCVXSU-BXKDBHETSA-N 317.349 -0.258 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)[C@H]2CCc3nncn3C2)CC1 1389960731 NCJRCNPBRQUBID-MNOVXSKESA-N 316.365 -0.235 30 20 DBED CCN(CCC#N)C(=O)CNC[C@H](C)NC(=O)c1cnn(C)c1 1401667138 HBCRSYPNWMGTSS-LBPRGKRZSA-N 320.397 -0.110 30 20 DBED C[C@@H](C#N)C(=O)N(C)C[C@H]1CCN(C(=O)c2cn(C)nn2)C1 1408992403 KPSFREVJOKMKEV-WDEREUQCSA-N 304.354 -0.105 30 20 DBED CC[C@H](NC[C@@H](O)CN(C)C(=O)c1cc(C#N)c[nH]1)C(N)=O 1410990894 RUZSIVMGRLQYEM-MNOVXSKESA-N 307.354 -0.827 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(N(CCO)CC(=O)N2CCC2)CC1 1418836585 ABDZDQLOJKSODS-ZDUSSCGKSA-N 322.409 -0.336 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@](C)(NC(=O)CN2CCCC2=O)C1 1434160151 XOGNDYYFGWPKQJ-IAQYHMDHSA-N 306.366 -0.124 30 20 DBED N#Cc1c[nH]c(C(=O)NCC2(NCCN3CCNC3=O)CC2)c1 1439601378 KDGCNIXZWGWJQE-UHFFFAOYSA-N 316.365 -0.236 30 20 DBED C=C(Cl)CN1CC([C@H](C)NC(=O)Cn2ncn(C)c2=O)C1 1448319195 ZPWVKYFDNVWXIP-JTQLQIEISA-N 313.789 -0.229 30 20 DBED CCCC[C@H](CNC(=O)[C@H](C)C#N)NC(=O)CNC(=O)NC 1450251512 HPAQJMYUZPRTSB-GHMZBOCLSA-N 311.386 -0.134 30 20 DBED C[C@@H](C#N)C(=O)NC1CC(N(C)C(=O)CNC(=O)C2CC2)C1 1511915264 KOPXCVWUTBARSU-GCVQQVDUSA-N 306.366 -0.222 30 20 DBED CN(CCNC(=O)CO[C@H]1CCOC1)C(=O)c1cc(C#N)c[nH]1 1528139561 SFFJTSWGHPJFKC-LBPRGKRZSA-N 320.349 -0.120 30 20 DBED C[C@H](C#N)C(=O)N(C)CCNC(=O)c1cccc(C(N)=O)n1 1528310248 JPZZIEOUMRYQEK-SECBINFHSA-N 303.322 -0.472 30 20 DBED C#CC1(O)CCN(C(=O)C2(CS(C)(=O)=O)COC2)CC1 1528627452 LUJQNZXFBZPGMW-UHFFFAOYSA-N 301.364 -0.966 30 20 DBED C#CCOCCN(C)C(=O)Cc1ccc(S(N)(=O)=O)cc1 1529436095 JOJWFIAMKMXLIC-UHFFFAOYSA-N 310.375 -0.015 30 20 DBED N#CCNC(=O)CN1CC[C@H](NC(=O)CCn2cccn2)C1 1566655813 RHQAWRYDJDKMFI-LBPRGKRZSA-N 304.354 -0.897 30 20 DBED N#Cc1cn(CCC(=O)N2CC3(CCNCC3)C2)c(=O)nc1O 1580080731 DOEAWSUEZZNVNJ-UHFFFAOYSA-N 317.349 -0.577 30 20 DBED CN(CCNC(=O)c1c[nH]c(C#N)c1)C(=O)[C@@H]1C[C@H]1C(=O)O 1598492883 VCAALLLDZYHKHT-GHMZBOCLSA-N 304.306 -0.205 30 20 DBED C#C[C@H](CO)NS(=O)(=O)Cc1csc(-c2nn[nH]n2)c1 1602687624 CZJYQQKCXRLMSZ-MRVPVSSYSA-N 313.364 -0.658 30 20 DBED N#CCN1CCC(NC(=O)N2C[C@@H]3COC[C@]3(C(=O)O)C2)CC1 1605586513 YETSPDRAABERNK-IAQYHMDHSA-N 322.365 -0.283 30 20 DBED N#Cc1cc(S(N)(=O)=O)ccc1N1C[C@@H](CO)[C@H](CO)C1 1649919658 MTNZRPOUZCQGSY-QWRGUYRKSA-N 311.363 -0.757 30 20 DBED C=CCN1CCN(CCCNC(=O)C2(C(=O)NC)CC2)CC1 1752355057 IQBIMOQXMWGNQG-UHFFFAOYSA-N 308.426 -0.178 30 20 DBED COCC#CCN1CCN(CCNC(=O)c2ncc[nH]2)CC1 1752364874 IZGYVNBJSLZQBK-UHFFFAOYSA-N 305.382 -0.593 30 20 DBED C#CCNC(=O)CN[C@H](C)CNC(=O)c1cccc(C(N)=O)c1 1752881574 DEYJZGXALQUJLR-LLVKDONJSA-N 316.361 -0.757 30 20 DBED C=CCCNC[C@@H]1CCN(C(=O)CN2C(=O)CN(C)C2=O)C1 1752973071 LKKOAXCTOXIIFS-LBPRGKRZSA-N 308.382 -0.105 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCN(C)Cc1nc(O)n[nH]1 1753051633 LIGBBZKYOGBMMT-NSHDSACASA-N 306.370 -0.844 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC(CNC(=O)CC[C@H]2CCOC2)C1 1753399378 HQAKJZKLRHOTJE-KGLIPLIRSA-N 321.421 -0.011 30 20 DBED CCOc1nc(C(=O)NCC2CN(CC(=O)NCC#N)C2)co1 1753406468 YCUMOGCZFJBRCE-UHFFFAOYSA-N 321.337 -0.625 30 20 DBED N#CCNC(=O)CN1C[C@@H]2C[C@H]1CN2C(=O)CCC(F)F 1753423451 KRVARFZIZWJUGS-UWVGGRQHSA-N 300.309 -0.043 30 20 DBED C#CCNC(=O)CN1CC[C@H](N(CC)C(=O)[C@H]2CCN(C)C2)C1 1753462185 SICUTEOADSZRLO-GJZGRUSLSA-N 320.437 -0.390 30 20 DBED C=CCn1cc(C(=O)NC[C@@H](CC)N[C@@H]2CCCNC2=O)nn1 1753487551 IDVYCAMBJMCFDQ-VXGBXAGGSA-N 320.397 -0.159 30 20 DBED C#CCCN1CCO[C@@H](CNC(=O)Cn2cc(C3CC3)nn2)C1 1753658030 WDUDKUADNQRFTN-AWEZNQCLSA-N 317.393 -0.004 30 20 DBED Cc1csc(C(=O)NC[C@H](O)CNCC(=O)NCC#N)c1 1753909938 MYEIRWNNLLGHNS-SNVBAGLBSA-N 310.379 -0.623 30 20 DBED COCC#CCNC[C@H](O)CNC(=O)[C@H]1Cc2ccccc2O1 1753917344 DFDDARSGVGDSSI-GOEBONIOSA-N 318.373 -0.293 30 20 DBED C#CCNC(=O)CN(C)C[C@H](C)NC(=O)c1cc[n+]([O-])cc1 1754300213 QQLXVYXJUBTZSQ-LBPRGKRZSA-N 304.350 -0.881 30 20 DBED COCC#CCN1CC[C@H]1CNC(=O)C(C)(C)CNC(C)=O 1754497139 JOPGFRSCFFGFLE-AWEZNQCLSA-N 309.410 -0.011 30 20 DBED C#CCCN1CC[C@](O)(CNC(=O)c2cc(OCC)n[nH]2)C1 1754755764 YRHXENZICPMJJG-HNNXBMFYSA-N 306.366 -0.002 30 20 DBED C=CCNC(=O)CN1CCC[C@@](CO)(NC(=O)[C@H]2C[C@@H]2C)C1 1754857434 HVTHEKWCBCBQGW-HEHGZKQESA-N 309.410 -0.112 30 20 DBED C#CCNC(=O)CNC1(CNC(=O)c2cccnn2)CCC1 1754988738 JNIJEJBMANPRBJ-UHFFFAOYSA-N 301.350 -0.532 30 20 DBED C=CCNC[C@@H]1CN(C(=O)C[C@H]2CCS(=O)(=O)C2)CCO1 1755004838 KGHNJKWLSYCFJY-CHWSQXEVSA-N 316.423 -0.186 30 20 DBED C=CCn1cc(C(=O)N[C@H](C)[C@H](C)NCC(=O)NC2CC2)nn1 1755255039 CDRJZMTXCIFHNG-WDEREUQCSA-N 320.397 -0.161 30 20 DBED C#CCCN1CC(CCO)(NC(=O)CCn2ccccc2=O)C1 1755333258 CRHBXBSCGCDDSF-UHFFFAOYSA-N 317.389 -0.185 30 20 DBED N#Cc1ccc(CN[C@H](CO)CNC(=O)[C@@H]2CCNC2=O)s1 1755634444 MENFXFHQKOLTRA-JOYOIKCWSA-N 322.390 -0.677 30 20 DBED C#CCNC(=O)CNC1CC(N(C)C(=O)CN2CC[C@@H](C)C2)C1 1755862043 UBNZYRCAKUSDAS-WLYUNCDWSA-N 320.437 -0.343 30 20 DBED C=CCCOCC(=O)NCC1[C@H]2CN(C(=O)CC(N)=O)C[C@H]12 1756204044 ADJUABMHEPNRIW-VXGBXAGGSA-N 309.366 -0.725 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H](CO)NC(=O)C#CC1CC1 1756525384 UOCPIRWWYRJGCO-YCPHGPKFSA-N 320.389 -0.026 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)CC1CC1 1756530592 SSFGIVFMPSVGCA-KBPBESRZSA-N 307.394 -0.523 30 20 DBED C=CC(C)(C)C(=O)NC[C@H](O)CN(C)C(=O)[C@H](C)NC(C)=O 1756649072 FQHGIGHHOWQLGM-JQWIXIFHSA-N 313.398 -0.341 30 20 DBED C=C[C@@](C)(O)CC(=O)N(C)C[C@H](O)CNC(=O)c1ccn(C)c1 1756660816 NDYHWLZBMVJBQA-CZUORRHYSA-N 323.393 -0.099 30 20 DBED C[C@@H]1CCCN1CC(=O)NC[C@H](O)CN(C)C(=O)C#CC1CC1 1756662151 ITRPADFFEOVFQC-HIFRSBDPSA-N 321.421 -0.180 30 20 DBED N#CCCN1CCN(C(=O)[C@H]2CCc3nnc(O)n3C2)CC1 1772095010 FIZSRJRBSJSJMH-NSHDSACASA-N 304.354 -0.396 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)n1ccnc1 1793143505 PWHIZMXGEVILNI-GUIRCDHDSA-N 316.361 -0.333 30 20 DBED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)S)CCO2 1840164160 ATJLAVUOSUJTJX-BXUZGUMPSA-N 312.391 -0.606 30 20 DBED CC(C)(C#N)C(=O)N1CCCC12CN(C(=O)[C@@H]1CNC(=O)O1)C2 1841136160 VQGVLNNQDKUTNF-JTQLQIEISA-N 320.349 -0.152 30 20 DBED CC(C)(C#N)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CNC(=O)C1 1847347640 LOTVYHZHAVCUOM-SRVKXCTJSA-N 318.377 -0.126 30 20 DBED C=CCC(F)(F)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(O)O 1847449908 GICLVHLDDVTTGP-IUCAKERBSA-N 304.293 -0.290 30 20 DBED Cc1nc(C/C(N)=N/OCc2cc(=O)n(C)c(=O)n2C)cs1 71966207 UFZVLFKOLYRXSV-UHFFFAOYSA-N 323.378 -0.120 30 20 DBED CC(C)[C@H](C#N)N1CCN(C(=O)[C@@H](C)NS(C)(=O)=O)CC1 74251251 FFGNYSMZUISLJK-NEPJUHHUSA-N 316.427 -0.384 30 20 DBED CN(C)c1ncc(CNc2c(C#N)c(=O)n(C)c(=O)n2C)n1C 74259689 OZDGSVUJUPCGSA-UHFFFAOYSA-N 317.353 -0.633 30 20 DBED CCOC(=O)CCS(=O)(=O)NC1CCN(CC#N)CC1 110824317 RJWPQLHRYYDMAD-UHFFFAOYSA-N 303.384 -0.153 30 20 DBED CC(C)[C@](C)(C#N)NC(=O)CN1CCN(C(=O)[C@H](C)O)CC1 152942611 YWGGXWFOPKQCPM-WFASDCNBSA-N 310.398 -0.434 30 20 DBED CN1CCN(C(=O)CCNC(=O)c2ccc(C#N)cn2)CC1 171669066 PGNDLXLOHNQNBH-UHFFFAOYSA-N 301.350 -0.153 30 20 DBED CC/N=C(/NC[C@@H]1CN2CCN1CC2)N(C)Cc1cnn(C)c1 178509804 UYCVADJIJWONPU-OAHLLOKOSA-N 319.457 -0.183 30 20 DBED CN(C)C(=O)CN/C(=N/C1CC1)N1CCC[C@@H](CC(N)=O)C1 262282883 JKUMZWQAMVONGT-NSHDSACASA-N 309.414 -0.230 30 20 DBED CC(C)NC(=O)CC/N=C(\N)N1CCN(c2ncccn2)CC1 264058031 BTJQWZIDBWHDEC-UHFFFAOYSA-N 319.413 -0.172 30 20 DBED N#Cc1c[nH]c(C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)c1 267130894 FPCQJIOSGDRGJO-UHFFFAOYSA-N 315.333 -0.551 30 20 DBED COC(=O)[C@H]1CC[C@@H](Nc2c(C#N)c(=O)n(C)c(=O)n2C)C1 279093065 NOWRBXQOTFBFQV-DTWKUNHWSA-N 306.322 -0.291 30 20 DBED C#CCN(CC#N)CC(=O)c1c(O)nc(=O)n(C2CC2)c1N 281535930 ZARWTPLUNMNROS-UHFFFAOYSA-N 301.306 -0.493 30 20 DBED C#C[C@H](C)NC(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 286869425 BVKAYQCGMWWGBE-NSHDSACASA-N 305.338 -0.115 30 20 DBED C#CCN(CC)C(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 299154826 VEYAQYSVZMSXGI-VXGBXAGGSA-N 312.391 -0.496 30 20 DBED C[C@@]1(C2CC2)NC(=O)N(CC(=O)n2ncc(C#N)c2N)C1=O 299481226 YRHHKSASPPKXIN-ZDUSSCGKSA-N 302.294 -0.302 30 20 DBED CCN1CCN([C@@H](C)C/N=C(/O)CN2CCOCC2=O)CC1 329862124 QVCYWFRXMLGFGG-ZDUSSCGKSA-N 312.414 -0.172 30 20 DBED CCNS(=O)(=O)[C@@H]1CCN(S(=O)(=O)CC2(C#N)CC2)C1 331559030 WVYQYLAJANAWGY-SNVBAGLBSA-N 321.424 -0.366 30 20 DBED CCC(CC)(CO)CNS(=O)(=O)N1CCO[C@@H](C#N)C1 336884560 IEIMOMASQVVTOS-NSHDSACASA-N 305.400 -0.156 30 20 DBED COCCN(CCC#N)S(=O)(=O)NCC(=O)NCC1CC1 336944038 MASBYHJPKXRAQS-UHFFFAOYSA-N 318.399 -0.791 30 20 DBED CCN(CCC#N)S(=O)(=O)N[C@@H]1CC(=O)N(C(C)C)C1=O 337055291 BNHDXMKGRPEZIY-SNVBAGLBSA-N 316.383 -0.408 30 20 DBED C=CCOC[C@H](NS(=O)(=O)N(C)C[C@@H](C)C#N)C(=O)OC 337159288 RPKRMQORSQHSJC-QWRGUYRKSA-N 319.383 -0.344 30 20 DBED COCCOCCOCCS(=O)(=O)N1CCOC[C@H]1C#N 338426720 SMESKSIQGHKKFY-GFCCVEGCSA-N 322.383 -0.780 30 20 DBED CNC(=O)[C@H](CCSC)NS(=O)(=O)N(C)CCC#N 341660355 QIDXHHPLGXLVHD-VIFPVBQESA-N 308.429 -0.466 30 20 DBED N#Cc1cc(NC(=O)C(=O)N2CCO[C@H](C(N)=O)C2)ccc1F 343143973 TXXXQDNZKNLGKU-NSHDSACASA-N 320.280 -0.651 30 20 DBED COCCN(CCC#N)S(=O)(=O)NC[C@H](CO)C(C)C 344811212 OQTKPFXDUFTQRO-GFCCVEGCSA-N 307.416 -0.053 30 20 DBED COCC[C@@](C)(C#N)NC(=O)Cn1nc2ccccn2c1=O 344941887 MLBQVFKDNHNFII-AWEZNQCLSA-N 303.322 -0.069 30 20 DBED C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCCN1C(=O)CNC1=O 354464628 LPYUYLBHOQIICK-SNVBAGLBSA-N 316.317 -0.006 30 20 DBED N#Cc1ccc(NCC(=O)NCCNC(=O)c2cc[nH]n2)nc1 357457954 YEXKTRHMUGMAEH-UHFFFAOYSA-N 313.321 -0.366 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@](C)(OC)C2CC2)C1=O 360749288 DPZYPSCJTBEZQB-HNNXBMFYSA-N 323.349 -0.106 30 20 DBED C[C@@H]1CC(=O)NCCN1CCS(=O)(=O)c1ccc(C#N)cn1 367376451 AMTZODQCZDKIPU-LLVKDONJSA-N 322.390 -0.063 30 20 DBED Cc1ncc(S(=O)(=O)NC[C@@H]2CNCCN2C)cc1C#N 394394351 BQFZLVIUPDKFQI-LBPRGKRZSA-N 309.395 -0.556 30 20 DBED CCC(=O)N1CC[C@@H](NS(=O)(=O)N(C)C[C@@H](C)C#N)C1 407952585 IMRWDMQZRLIHKK-WDEREUQCSA-N 302.400 -0.077 30 20 DBED CC[C@H](NS(=O)(=O)N1CCO[C@@H](C#N)C1)[C@@H](O)C(C)C 416611426 CERQWSDGXSKEFU-SRVKXCTJSA-N 305.400 -0.159 30 20 DBED CC(C)C[C@H](NS(=O)(=O)N1CCO[C@@H](C#N)C1)C(=O)O 417467382 WJOYENBLPDFGBG-UWVGGRQHSA-N 305.356 -0.456 30 20 DBED C=CCC[C@@H](NS(=O)(=O)c1cnnn1C)C(=O)OCC 451980773 AGJFSHMNHNBNMJ-SECBINFHSA-N 302.356 -0.009 30 20 DBED C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ncn(C)n2)c1 491181893 WREHEQMHQBQEOL-UHFFFAOYSA-N 319.346 -0.021 30 20 DBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@H]1COCCN1C 543746547 SHJYLZRCRDYWRD-GFCCVEGCSA-N 306.370 -0.415 30 20 DBED CN(C)S(=O)(=O)N(C)CC(=O)N(CCC#N)CC1CC1 561270586 TYWVAAGJYPWKCD-UHFFFAOYSA-N 302.400 -0.123 30 20 DBED COCCN(C)C[C@H](O)Cn1cc(C(=O)OC)cc(C#N)c1=O 573338292 JGSCQYQOSSPKQL-ZDUSSCGKSA-N 323.349 -0.554 30 20 DBED N#Cc1ccc(S(=O)(=O)N2C[C@@H](O)[C@@H](CO)C2)cc1F 580725843 WNXVGNODSZODHH-BXKDBHETSA-N 300.311 -0.329 30 20 DBED COC(=O)CCN1CC[C@@H](Nc2ccn(CCC#N)n2)C1=O 594732300 XGRBTCBLIWDMHO-LLVKDONJSA-N 305.338 0.373 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1CCN2CC[C@H]1C2 601424670 BXMDVJISRAPJMR-LBPRGKRZSA-N 302.400 -0.517 30 20 DBED CCn1cnnc1CCNc1c(C#N)c(=O)n(C)c(=O)n1C 609839938 MQPCBDAIOOIOQG-UHFFFAOYSA-N 303.326 -0.778 30 20 DBED C=CCN(C(=O)C(=O)N1CCO[C@@H](C(=O)O)C1)[C@H](C)COC 662910683 BQHXXLHPRANVEG-GHMZBOCLSA-N 314.338 -0.652 30 20 DBED N#C[C@@H]1COCCN1S(=O)(=O)C1CCS(=O)(=O)CC1 700158935 NLHMZFAWZYHMQY-SECBINFHSA-N 308.381 -0.882 30 20 DBED N#CCCN(CCC#N)C(=O)COC(=O)C1CC(=O)NC(=O)C1 726820181 DHNVDRYUJUCDLB-UHFFFAOYSA-N 320.305 -0.762 30 20 DBED C#CCCCNC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 742788129 KMTJSHPFCDACAX-UHFFFAOYSA-N 317.349 -0.647 30 20 DBED CSCCNC(=S)NN=Cc1cn(CC(=O)O)nn1 769599013 OOCXZMXQBIVEIS-UHFFFAOYSA-N 302.385 -0.476 30 20 DBED C#C[C@@H](NC(=O)N1CCN(CC(=O)NCC)CC1)[C@H]1CCCO1 773561720 TVCPIHPKQOQEOL-ZIAGYGMSSA-N 322.409 -0.370 30 20 DBED C#C[C@H](NCC(=O)NCC(C)(C)N1CCOCC1)[C@H]1CCCO1 775791776 WQVFYZPSAQCZCD-LSDHHAIUSA-N 323.437 -0.016 30 20 DBED C#CCOCCNS(=O)(=O)c1ccc(-n2cnnn2)cc1 784454288 NXVUQNLCHSGBNR-UHFFFAOYSA-N 307.335 -0.410 30 20 DBED Cn1cc(C(=O)NS(=O)(=O)Cc2cccc(C#N)c2)nn1 808984809 MXMJWJDRZKVOEU-UHFFFAOYSA-N 305.319 -0.053 30 20 DBED CON(C)C(=O)CNS(=O)(=O)c1ccc(F)cc1C#N 817148896 SVLJNKUXUXYJJK-UHFFFAOYSA-N 301.299 -0.005 30 20 DBED CC(C)(C(N)=O)N1CCN(C(=O)[C@](C)(C#N)CC(=O)O)CC1 819821905 KEEWMWRLTRDQGE-AWEZNQCLSA-N 310.354 -0.601 30 20 DBED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)[C@H]2CCNC2=O)C1 832161616 ASAMVSZXYYSDQA-GARJFASQSA-N 322.365 -0.002 30 20 DBED C#CC[C@H](NC(=O)c1oc(S(N)(=O)=O)cc1C)C(=O)OC 854910039 MVCQDORNBGGZHF-QMMMGPOBSA-N 314.319 -0.470 30 20 DBED C#CCNC(=O)CN1CCN(Cc2cc(C(=O)OC)no2)CC1 876688830 WJYRZJUKMAZFBY-UHFFFAOYSA-N 320.349 -0.672 30 20 DBED C#CCn1cc(CNS(=O)(=O)N(C)CCC(=O)OC)cn1 882347700 NSVMKNFRLRGDQT-UHFFFAOYSA-N 314.367 -0.654 30 20 DBED Cn1c(C(=O)N[C@@H]2CCN(C(=O)C#CC3CC3)C2)cnc1O 942005753 YZRCMSGYWGGPRI-LLVKDONJSA-N 302.334 -0.130 30 20 DBED CO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1NC(=O)c1cnc(O)n1C 944413814 BDONKQNMPNZFQD-IQJOONFLSA-N 321.337 -0.759 30 20 DBED CCn1nncc1C(=O)NC[C@H]1CN(C(=O)[C@H](C)C#N)CCO1 944577226 CBYONVJFAJMWBW-MNOVXSKESA-N 320.353 -0.585 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CN2C(=O)CNC2=O)[C@@H](C)C1 944790310 PIQYFLKLBGTQEY-NWDGAFQWSA-N 306.366 -0.612 30 20 DBED C=CC(C)(C)C(=O)N1CCC(NC(=O)Cn2ncnn2)CC1 947712550 IBYIUFGBWJHKGK-UHFFFAOYSA-N 306.370 -0.008 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)[C@H]1CCNC(=O)C1)CCO2 949070441 HYAAWTFENIHZHB-AWEZNQCLSA-N 319.405 -0.161 30 20 DBED C#CCN1CCOC2(CCN(C(=O)[C@@H]3CN(C)CCO3)CC2)C1 949326317 NBJDRHXOISTANS-HNNXBMFYSA-N 321.421 -0.356 30 20 DBED C#Cc1cncc(C(=O)N2CC(N(C)C(=O)c3cn(C)nn3)C2)c1 954206376 DSLNYOCBSFLLEM-UHFFFAOYSA-N 324.344 -0.212 30 20 DBED N#CCN1C[C@H](CNC(=O)c2cc(C(F)F)ncn2)[C@@H](O)C1 958179032 GLVFBDJQVNFJKY-KWQFWETISA-N 311.292 -0.040 30 20 DBED CC#CCN1C[C@H](CNC(=O)c2cn(CC3CC3)nn2)[C@@H](O)C1 958525804 KEIZMOVXKFGVJA-ZFWWWQNUSA-N 317.393 -0.266 30 20 DBED C#CCN1C[C@H]2C(NC(=O)Cc3nnn(C(C)(C)C)n3)[C@@H]2C1 960076153 YFJOBXBWJGHACY-GHMZBOCLSA-N 302.382 -0.350 30 20 DBED C=C(C)CCN1C[C@@H]2C(NC(=O)Cn3ccc(O)nc3=O)[C@H]2C1 960849074 AJZFXMKTKZBENP-RYUDHWBXSA-N 318.377 -0.039 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CN(C(=O)c3nccnc3N)C[C@H]2C1 961201925 JNATZWGGAJDUCO-GARJFASQSA-N 314.349 -0.251 30 20 DBED N#Cc1c[nH]c(C(=O)N2C[C@H](O)[C@H](NC(=O)c3cc[nH]c3)C2)c1 965934003 MIELZJNEUJQPJK-OLZOCXBDSA-N 313.317 -0.170 30 20 DBED N#Cc1ccc(C(=O)N2C[C@@H]3CC[C@H](C2)N3C(=O)CC(N)=O)[nH]1 968704279 JJEGKAJVYXVPMG-PHIMTYICSA-N 315.333 -0.423 30 20 DBED C[C@@H](NC(=O)c1cc(C#N)c[nH]1)C1CN([C@H]2CCNC2=O)C1 969463192 LBKVBJQVJXRXCJ-RNCFNFMXSA-N 301.350 -0.175 30 20 DBED C[C@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)[C@@H]1CCNC1=O)C2 969812223 VSBFANXBHANFCW-NOOOWODRSA-N 304.350 -0.516 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H](C)C1CN(CC(=O)N(C)C)C1 969865033 HRYQAJMLZCOKGX-ZFWWWQNUSA-N 320.437 -0.391 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)CN3CCCC3=O)C2)C1 972250392 ZCPRXLADMPXXON-MRXNPFEDSA-N 305.378 -0.455 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2COC(=O)N2)C1 974086217 NPARQSROLGRTJA-ROHXPCBUSA-N 323.349 -0.551 30 20 DBED CNC(=O)[C@@H](C)N1C[C@H]2[C@H](CNC(=O)c3c[nH]c(C#N)c3)[C@H]2C1 978063416 OJRGLBVGMLQIEG-JXJLXUTGSA-N 315.377 -0.072 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCC[C@H](NCC(N)=O)C2)nn1 981375911 ZBNFCWNQCNZEHU-WDEREUQCSA-N 306.370 -0.420 30 20 DBED C#CCN(C)C1CCN(C(=O)CN2CCC(=O)NC2=O)CC1 985743356 TYVXDEICGLLLAG-UHFFFAOYSA-N 306.366 -0.516 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)c2ccn(CCN(C)C)n2)C1 992059658 HODIUGKTMVHPMK-NSHDSACASA-N 318.381 -0.455 30 20 DBED C#CCN1CCC[C@H](NC(=O)Cn2ccc(O)nc2=O)[C@@H]1C 993575559 WKOSSPLRCOBWAU-RYUDHWBXSA-N 304.350 -0.449 30 20 DBED C#CCNC1CCN(C(=O)Cc2ccc(C(N)=O)nc2)CC1 996715770 PGYFCFLZCLAUTD-UHFFFAOYSA-N 300.362 -0.063 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)[C@H]3CCN(C)C3)C2)cn1 997102488 SFOKVYQUJTVYPE-ZDUSSCGKSA-N 312.373 -0.045 30 20 DBED C#Cc1ccc(C(=O)N2CC(NC(=O)[C@H]3CCNC3=O)C2)cc1 997428827 APYRLBMCSFNJIH-AWEZNQCLSA-N 311.341 -0.255 30 20 DBED CC(C)N1CCO[C@H](C(=O)NC2CN(C(=O)[C@H](C)C#N)C2)C1 998130901 BTBLIXOXYQXFOF-YPMHNXCESA-N 308.382 -0.418 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@@H]2CCCO2)C1 1002828101 ANFOCLBAQNLLPZ-GJZGRUSLSA-N 319.405 -0.162 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCC1CN(C(=O)[C@@H]2COCCO2)C1 1004522162 XKZBXLGFKXDMCT-RDBSUJKOSA-N 324.377 -0.433 30 20 DBED C=CCN1CCN(C(=O)[C@H]2CCCN(C(=O)C(N)=O)C2)CC1 1018370832 BYNUUAMVWBGNAG-LBPRGKRZSA-N 308.382 -0.960 30 20 DBED C#CCCN1CC[C@@H](N(C)C(=O)Cn2ccc(O)nc2=O)C1 1033241043 RUWFTPNCPVQLCH-GFCCVEGCSA-N 304.350 -0.495 30 20 DBED C=CCN1CCO[C@H](CNC(=O)[C@H]2CCCCS2(=O)=O)C1 1035393374 ZMYGXQKEGKILRV-CHWSQXEVSA-N 316.423 -0.043 30 20 DBED CC#CCN1CCO[C@H](CNC(=O)c2ccnc(OC)n2)C1 1035438852 QKXOSXMWMZVREW-GFCCVEGCSA-N 304.350 -0.061 30 20 DBED C#CCCN1CCO[C@H](CNC(=O)c2ccc3nnnn3c2)C1 1035444755 ZGJUMDFIHVQNNX-CYBMUJFWSA-N 314.349 -0.422 30 20 DBED N#CCN1CC2(CCN(C(=O)c3nnc(O)nc3O)CC2)C1 1035744953 MFTUIKUXAJFAIY-UHFFFAOYSA-N 304.310 -0.656 30 20 DBED CC(C)C#CC(=O)NC[C@@]1(O)CCN(C(=O)CN2CCCC2)C1 1039667638 GMDMIVIYCUOOMV-KRWDZBQOSA-N 321.421 -0.179 30 20 DBED COCC1(C(=O)N2CC[C@@](O)(CNC(=O)[C@@H](C)C#N)C2)CC1 1040760866 AIMPXUSYTWPIBU-XHDPSFHLSA-N 309.366 -0.348 30 20 DBED N#Cc1cccnc1NC[C@H]1CN(C(=O)CC(N)=O)CCCO1 1041488153 PERCATJZEBQDMK-LBPRGKRZSA-N 317.349 -0.142 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)Cn2cc(C)cn2)C1 1041776532 VCSSXJFODODQPF-UHFFFAOYSA-N 318.377 -0.315 30 20 DBED C[C@@H]1CN(c2nccnc2C#N)C[C@H]1NC(=O)[C@@H]1COCCO1 1041787548 USWUQECFFKVANC-RTXFEEFZSA-N 317.349 -0.295 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(O)CN(C(=O)c2cc(C)on2)C1 1042808940 GBUAJLKBMZMYNY-CQSZACIVSA-N 323.349 -0.387 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)C2CCC(O)CC2)C1 1042830296 RGNNPFRKEJAING-UNXYVOJBSA-N 309.366 -0.613 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)C1CN([C@@H](CC)C(N)=O)C1 1042962140 DSNZNZRZUFJDJX-KBPBESRZSA-N 306.410 -0.510 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)C2=CCCC2)C1 1043039958 KYVUEOWIZBLRMD-GFCCVEGCSA-N 306.362 -0.176 30 20 DBED C=CC(C)(C)CC(=O)NCC1(O)CN(C(=O)c2cnn(C)n2)C1 1043205461 CEGYLFXKIDWGOC-UHFFFAOYSA-N 321.381 -0.280 30 20 DBED C=CCCOCC(=O)NCC1(O)CN(C(=O)Cc2cnoc2)C1 1043567770 GJEMNNJCQRPLEB-UHFFFAOYSA-N 323.349 -0.501 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)[C@@H](C)S(C)(=O)=O)C1 1043781551 XMHNIWOIRVZNEW-SNVBAGLBSA-N 318.395 -0.925 30 20 DBED N#Cc1cncc(N2C[C@H](O)[C@H](NC(=O)[C@H]3CCOC3)C2)n1 1043866401 IKZCCYFTNOFVSU-WCQGTBRESA-N 303.322 -0.950 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)CCCC(=O)N(C)C)C1 1044047154 HTYGWGAKDBORMT-NSHDSACASA-N 324.381 -0.906 30 20 DBED Cc1n[nH]cc1C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1044358435 NPNCZLYQKFXVJB-MNOVXSKESA-N 313.321 -0.641 30 20 DBED CC#CCCCC(=O)NCC1(O)CN(C(=O)[C@@]23COC[C@@H]2C3)C1 1045003035 KVJYYWSLMSGAPI-GUYCJALGSA-N 320.389 -0.094 30 20 DBED Cc1nc(C(=O)NCC2(O)CN(C(=O)[C@H](C)C#N)C2)c(C)o1 1045252271 OBDRJLRLWLLPBG-MRVPVSSYSA-N 306.322 -0.246 30 20 DBED C=CCN1CC[C@H](N2CCN(C(=O)C3CN(C(C)=O)C3)CC2)C1 1046024535 MYGVOFIXPTTYQJ-INIZCTEOSA-N 320.437 -0.131 30 20 DBED C=CCN1CC[C@@H](N2CCN(C(=O)Cn3nccn3)CC2)C1 1046034557 UZLYISUYNVQCGE-CQSZACIVSA-N 304.398 -0.317 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCNC(N)=O)C1 1048836929 XIGGEAXFUFJDGR-QWRGUYRKSA-N 312.370 -0.959 30 20 DBED C#CCOCCC(=O)N(C)[C@H]1CN(C(=O)[C@H]2CCOC2)C[C@@H]1O 1048844303 GZPAERKHLUREAU-IHRRRGAJSA-N 324.377 -0.907 30 20 DBED C=CCO[C@H](C)C(=O)N(C)[C@H]1CN(C(=O)COCC)C[C@@H]1O 1049011617 XSEXPKLSFLSGOF-AGIUHOORSA-N 314.382 -0.356 30 20 DBED CC#CCN1CCOC[C@H]1CNC(=O)c1cc(=O)c(OC)c[nH]1 1051028798 YLKKOPLWAHYHSG-GFCCVEGCSA-N 319.361 -0.163 30 20 DBED CC#CCN1CCOC[C@@H]1CNC(=O)c1ccc(=O)n(CC)n1 1051173422 SHQDSBJZURTNRH-ZDUSSCGKSA-N 318.377 -0.283 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(N)=O 1053802164 LVVRLVOYVPPHCZ-BUWBCJGYSA-N 323.393 -0.315 30 20 DBED CN1CC[C@@H](CC(=O)N[C@H]2COC3(C2)CN(CC#N)C3)C1=O 1053841421 IXWRDNMCGWKELW-NWDGAFQWSA-N 306.366 -0.662 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)c3cc4ncccn4n3)CO2)C1 1053962999 FGHCZZQXRZSCPZ-GFCCVEGCSA-N 311.345 -0.064 30 20 DBED CNC(=O)CC(=O)N1CCC[C@@](CO)(NC(=O)C#CC2CC2)C1 1055938310 BYMPHIKSBMAPGC-MRXNPFEDSA-N 321.377 -0.994 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@]1(CO)CCCN(C(=O)C(F)F)C1 1055947181 KYEWZEKOBXQTRN-YGRLFVJLSA-N 318.320 -0.241 30 20 DBED Cn1cnc(C(=O)NC2[C@@H]3CN(c4ccnc(C#N)n4)C[C@@H]23)c1 1056185630 HWZNQBUCSLFITK-NXEZZACHSA-N 309.333 -0.054 30 20 DBED CCn1cc(C(=O)N[C@H]2[C@@H]3CN(c4cnc(C#N)cn4)C[C@@H]32)nn1 1056279860 CVBKYDZBDHOVTH-YABSGUDNSA-N 324.348 -0.176 30 20 DBED C=C[C@](C)(O)CC(=O)NCCN(CCO)C(=O)c1ccncc1 1056795608 FFJBVCCGTOIKDO-INIZCTEOSA-N 321.377 -0.041 30 20 DBED C#CCO[C@H](C)C(=O)NCCN(CCO)C(=O)COCC=C 1057196682 RTOPYXYAORJCDM-CYBMUJFWSA-N 312.366 -0.836 30 20 DBED C#CCCCCC(=O)NCCN(CCO)C(=O)[C@H]1CCC(=O)N1 1057200239 KFYNILHSWLJWET-CYBMUJFWSA-N 323.393 -0.604 30 20 DBED C[C@@](O)(CC(=O)N(CCO)CCNC(=O)C#CC1CC1)C1CC1 1057376665 RLOUEOMVPFRFQK-QGZVFWFLSA-N 322.405 -0.112 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)C12CCN(CC1)C2 1057439582 SGNSAXGYWSLSPR-UHFFFAOYSA-N 321.421 -0.177 30 20 DBED C#CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)c1cccn1C 1057583001 DSXNCPQCHKIONB-ZDUSSCGKSA-N 321.377 -0.386 30 20 DBED C=CCCOCC(=O)N(CCO)CCNC(=O)c1cn(C)cn1 1057919204 QPARBHLXGHZLLS-UHFFFAOYSA-N 324.381 -0.437 30 20 DBED C#Cc1cncc(C(=O)N(CCO)CCNC(=O)COC)c1 1058776160 KUAGIDPVDFCENK-UHFFFAOYSA-N 305.334 -0.740 30 20 DBED N#Cc1nc(=N[C@H]2CCN(C(=O)[C@H]3CCC(=O)N3)C2)cc[nH]1 1058847901 RUYZPDSMUWRUHR-VHSXEESVSA-N 300.322 -0.938 30 20 DBED N#Cc1ccc(N[C@H]2C[C@H](NC(=O)[C@H]3CCC(=O)NC3)C2)nn1 1059457476 HQUMILGCDHDGNF-DLOVCJGASA-N 314.349 -0.066 30 20 DBED C[C@@H](C#N)C(=O)NCC[C@@H]1CCN(C(=O)c2cnnn2C)C1 1059572951 XVSFMQUXHIKSII-WDEREUQCSA-N 304.354 -0.057 30 20 DBED C=CCOCC(=O)NCC[C@@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 1060277627 LEDGFZWWRJNHFX-GFCCVEGCSA-N 323.393 -0.191 30 20 DBED COCCC(=O)N1CCOC[C@H]1CNC(=O)c1c[nH]c(C#N)c1 1061516471 WXSOUZFCEUBLIK-CYBMUJFWSA-N 320.349 -0.120 30 20 DBED C=CCCC(=O)N1CCOC[C@@H]1CNC(=O)c1cc(=O)n(C)o1 1061531728 KGNORYGEMRWILB-NSHDSACASA-N 323.349 -0.098 30 20 DBED C#CCCCC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1COC(=O)N1 1061546024 JRBPHWDJMIUSAW-RYUDHWBXSA-N 323.349 -0.758 30 20 DBED C=CCO[C@H](C)C(=O)NC[C@H]1COCCN1C(=O)c1cc[nH]n1 1061667420 FIHKWKAEGTUMMT-NEPJUHHUSA-N 322.365 -0.042 30 20 DBED N#Cc1ccc(N2CC[C@H](CNC(=O)[C@@H]3CCNC3=O)C2)nn1 1061694625 LJUMFAHPKJNREE-ZYHUDNBSSA-N 314.349 -0.573 30 20 DBED Cc1cc(C#N)nc(N2C[C@@H]3C[C@H]2CN3C(=O)c2cn(C)nn2)n1 1062485920 GUTOLHQXOUODGD-RYUDHWBXSA-N 324.348 -0.112 30 20 DBED C=CCOCC(=O)NCC1(NC(=O)CCNC(N)=O)CCC1 1062703873 SURYAFPLLGNPHQ-UHFFFAOYSA-N 312.370 -0.598 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(NC(=O)c2cnn(C)n2)CCC1 1062870128 UFAQURHWLWQLPM-CQSZACIVSA-N 321.381 -0.089 30 20 DBED O=C(C#CC1CC1)NC1(CNC(=O)Cn2nccn2)CCC1 1063179188 NRXKIIWCSSDYHW-UHFFFAOYSA-N 301.350 -0.153 30 20 DBED N#Cc1cncc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)C2=COCCO2)n1 1064212621 RLECKHIOPDEHNJ-OLUVUFQESA-N 313.317 -0.070 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCO[C@@H](CNC(=O)CCOC)C1 1065096992 MTHZBBPYJTZRJQ-WFASDCNBSA-N 314.382 -0.306 30 20 DBED Cn1nncc1C(=O)N1CCO[C@H](CNC(=O)C#CC2CC2)C1 1065108166 PRIBIYLIDSPASQ-GFCCVEGCSA-N 317.349 -0.814 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@H]1CN(C(=O)c2ncc[nH]2)CCO1 1065121491 YYZRUZCDXLZOQZ-NHYWBVRUSA-N 322.365 -0.306 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CN(C(=O)Cc2cnoc2)CCO1 1065495944 BEDSRXBVKYYAGT-JQWIXIFHSA-N 306.322 -0.280 30 20 DBED N#Cc1ccc(N2C[C@H](CNC(=O)c3cocn3)[C@@H](O)C2)nn1 1067654182 UGQLLJJPPIXAGY-CABZTGNLSA-N 314.305 -0.437 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCCN(C)C(=O)CN1CCCNC1=O 1067761268 GZHUQUTYISMMQW-LBPRGKRZSA-N 323.397 -0.132 30 20 DBED C=CCCC(=O)N1CCOC2(C1)CN(C(=O)c1nnn(C)n1)C2 1068344467 OFDRMWZFYPYCOV-UHFFFAOYSA-N 320.353 -0.770 30 20 DBED COCCC(=O)N1CC2(CN(C(=O)C#CC3CC3)CCO2)C1 1068393038 JDVPIGIMSWGDOC-UHFFFAOYSA-N 306.362 -0.124 30 20 DBED C=CCOCC(=O)NC1(CC)CCN(C(=O)CC(N)=O)CC1 1069265616 QGWRETUUJGAOAT-UHFFFAOYSA-N 311.382 -0.048 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)Cn2cccn2)C1 1069896292 ICHFGBRJEQNWNT-OLZOCXBDSA-N 301.354 -0.298 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)[C@H]2COC(=O)N2)CCOCC1 1070098180 QZWUFMTXPHQWFO-NXEZZACHSA-N 324.337 -0.964 30 20 DBED N#CCN[C@@H]1CN(C(=O)[C@H]2CCCOC2)C[C@@H]1n1ccnn1 1070156904 AHZJXVOMQOLEBQ-XQQFMLRXSA-N 304.354 -0.430 30 20 DBED CO[C@H](C)C(=O)N1C[C@@H](c2n[nH]c(C)n2)C2(CN(CC#N)C2)C1 1070441651 ZWBXEVPPTAAFQA-PWSUYJOCSA-N 318.381 -0.101 30 20 DBED N#Cc1c[nH]c(C(=O)N2C[C@H]3C[C@@H]4CN(CCO)C[C@]3(C2)O4)c1 1070781299 CYDZBYBVNAJOIK-XJKCOSOUSA-N 316.361 -0.206 30 20 DBED C#CCN1CC[C@]2(C1)CN(C(=O)c1ncn(C)n1)C[C@H](C)O2 1071165140 XYOBIXAHDHSMGP-WFASDCNBSA-N 303.366 -0.246 30 20 DBED N#CCN1CCN([C@H]2CCCN(C(=O)c3cocn3)C2)C(=O)C1 1071257459 ZWZCHIBTUFDUHM-LBPRGKRZSA-N 317.349 -0.053 30 20 DBED C=C(C)CCC(=O)N[C@H]1CN(C(=O)Cn2cnnn2)C[C@H]1C 1071553611 NARJQHLUXZYMBK-NEPJUHHUSA-N 306.370 -0.008 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H](C)[C@H](NC(=O)C2CCC2)C1 1071935333 AENDGNZPXBAING-WCQYABFASA-N 305.378 -0.111 30 20 DBED C#CCCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)Cn2cnnn2)C1 1071995199 ILLRHZJIYZXCTF-NEPJUHHUSA-N 304.354 -0.560 30 20 DBED C[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1NC(=O)CC(=O)N(C)C 1072042575 MPOCKDHODPYHOD-AAEUAGOBSA-N 305.378 -0.159 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)Cc2n[nH]c(C)n2)C[C@@H]1C 1072062987 JJHUERNJBJCMTC-CMPLNLGQSA-N 321.381 -0.179 30 20 DBED C[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1NC(=O)CSCC#N 1072389663 GHOOJVJDERRXCZ-MWLCHTKSSA-N 322.394 -0.351 30 20 DBED C[C@H](C#N)C(=O)N1CCC(C)(NC(=O)CN2CCOCC2)CC1 1073228619 FADSALNVGDRGDG-CYBMUJFWSA-N 322.409 -0.024 30 20 DBED N#CCN1CCCO[C@H](CNC(=O)c2cncc(C(N)=O)c2)C1 1073892882 CXXVKVJUUOKVPZ-CYBMUJFWSA-N 317.349 -0.475 30 20 DBED CC(C)C#CC(=O)N1CC[C@H](NC(=O)Cn2ncnn2)[C@H](C)C1 1073976959 IPFCJZCEFJTNHD-OLZOCXBDSA-N 318.381 -0.314 30 20 DBED C[C@@H](CCNC(=O)c1cc(C#N)c[nH]1)NC(=O)Cn1cncn1 1076073862 DRJVMASZQMDAMQ-JTQLQIEISA-N 315.337 -0.197 30 20 DBED C=C(C)CN1C[C@@H]2CCN(C(=O)[C@H]3CCS(=O)(=O)N3)[C@@H]2C1 1076582061 JGDIPWQDFUWQCE-YNEHKIRRSA-N 313.423 -0.213 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCNC2=O)C1 1077123656 MUIQKPIQUNSHFX-HBNTYKKESA-N 301.774 -0.574 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)c2cn(C)nc2COC)C1 1077255590 IDVPVVBYABENSS-TZMCWYRMSA-N 306.366 -0.635 30 20 DBED Cn1ncc(C(=O)N[C@@H]2CN(CC#N)C[C@H]2O)c1-n1cccc1 1077485250 KQUUBQQGXCIARF-CHWSQXEVSA-N 314.349 -0.491 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)[C@]2(C)CCNC2=O)C1 1077666919 JIKGZFSTQUEABW-GIPNMCIBSA-N 301.774 -0.574 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)c2ccc(=O)n(CCC)n2)C1 1078160052 HLXFCPUEEHAPGR-ZIAGYGMSSA-N 318.377 -0.549 30 20 DBED C#CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)Cc2nc[nH]n2)C1 1079776343 FXNKIIYGAALGCB-LLVKDONJSA-N 319.365 -0.555 30 20 DBED CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)C[C@@H](C)NC(N)=O)C1 1080414721 RKQXTWPSFKAYEP-NXEZZACHSA-N 309.370 -0.348 30 20 DBED C=C(C)CCC(=O)N1CCC(CO)(NC(=O)CC(N)=O)CC1 1080786875 DNYUEFJRYLKEKI-UHFFFAOYSA-N 311.382 -0.312 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H](CNC(=O)CC(C)C)[C@@H](O)C1 1081201918 IQYKKJRSNVXHAC-STQMWFEESA-N 323.393 -0.893 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cnn(C)c2)C1 1081247345 BAVNBCOHPIQQGP-YPMHNXCESA-N 322.365 -0.828 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(C(=O)c2cc[nH]c2)C[C@@H]1O 1081475317 ZORBCYLHOHHJKM-KBPBESRZSA-N 301.346 -0.023 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)C1 1083853226 JFNJIFSNAFAZGJ-APIJFGDWSA-N 320.393 -0.365 30 20 DBED CN(C[C@@H]1CCN1CC#N)C(=O)[C@H]1CCc2nnnn2CC1 1085828836 GKKNZMJZLMPKJH-RYUDHWBXSA-N 303.370 -0.318 30 20 DBED C#CCN[C@@H]1CC[C@H](CNC(=O)[C@H]2CCN(C)S2(=O)=O)C1 1086825877 LEMMYLRQBHBKMV-YNEHKIRRSA-N 313.423 -0.472 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2CCN(CCOC)C[C@@H]2O)nc1 1090737092 MRYOGOKRQBPULJ-ZFWWWQNUSA-N 303.362 -0.126 30 20 DBED C=CCN1CC[C@@H](NC(=O)c2ccc(C(N)=O)nc2)[C@H](O)C1 1090851070 YHBKIDKYBBGAML-DGCLKSJQSA-N 304.350 -0.469 30 20 DBED C=CCCC(=O)N[C@@H]1CN(c2ccc3nnnn3n2)C[C@H]1OC 1090870346 PHNAHOGTXWFLJQ-GHMZBOCLSA-N 317.353 -0.195 30 20 DBED N#CCSCC(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@@H]1O 1091075023 PAXVIYCOTRMUNZ-NEPJUHHUSA-N 317.374 -0.124 30 20 DBED CC(C)(O)CC(=O)N[C@H]1CCN(c2nccnc2C#N)C[C@@H]1O 1092147044 ZIQRZBDCKDYVCC-JQWIXIFHSA-N 319.365 -0.435 30 20 DBED CNC(=O)NCC(=O)NC1[C@@H]2CN(c3ccncc3C#N)C[C@@H]12 1093361560 OXDITICZNRBTRK-GHMZBOCLSA-N 314.349 -0.567 30 20 DBED C#CCNC(=O)CC(=O)NCCCNc1nc[nH]c2ncnc1-2 1094372456 GTKCHDSDDMYIKB-UHFFFAOYSA-N 315.337 -0.638 30 20 DBED CC[C@H](C)C(=O)NCC(=O)NCCCN=c1cc[nH]c(C#N)n1 1094440996 ILVQKDRHVODPRU-NSHDSACASA-N 318.381 -0.149 30 20 DBED C=CCCN1CC(N2C[C@@H](NC(=O)[C@H]3CCC(=O)N3)CC2=O)C1 1094717379 JAKKJQYIJDGFCI-WCQYABFASA-N 320.393 -0.758 30 20 DBED C[C@@H]1[C@H](C(=O)N[C@@H]2CC(=O)N(C3CN(CC#N)C3)C2)CCN1C 1094737828 BJJGZTIGEUBUMK-YRGRVCCFSA-N 319.409 -0.749 30 20 DBED CN(c1nccnc1C#N)[C@H]1CCN(C(=O)CCNC(N)=O)C1 1095117072 LTJFBLKQHJCPBR-JTQLQIEISA-N 317.353 -0.556 30 20 DBED N#Cc1cncc(N2CCN(CCNC(=O)C#CC3CC3)CC2)n1 1096282525 QEPZWZSGLOSSJD-UHFFFAOYSA-N 324.388 0.000 30 20 DBED Cc1cc(C#N)nc(N2CC[C@H](NC(=O)CS(C)(=O)=O)C2)n1 1096343241 PWAUVQWEQSIRLM-JTQLQIEISA-N 323.378 -0.604 30 20 DBED N#Cc1ccc(N2CC[C@@H](NC(=O)CCn3ccnn3)C2)nn1 1096362628 LPCNYSSMXJBDFI-GFCCVEGCSA-N 312.337 -0.275 30 20 DBED C[C@H](NC(N)=O)C(=O)N1CC[C@H](Nc2cncc(C#N)n2)C1 1096931211 XAFOSOYYYOJLDV-IUCAKERBSA-N 303.326 -0.582 30 20 DBED CNC(=O)NCC(=O)N1CC[C@H](Nc2ccc(C#N)cn2)C1 1096979710 DQGYRZKLBCETSL-NSHDSACASA-N 302.338 -0.105 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1C[C@H](Nc2ccnc(C)n2)C1 1097015050 PBUUJGODCFFGBP-HAQNSBGRSA-N 301.350 -0.016 30 20 DBED CC(=O)N[C@H]1CN(CC(=O)NCC#N)CC2(CCOCC2)C1 1099559739 HGTJILGGARTINF-CYBMUJFWSA-N 308.382 -0.367 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(Cc2nnc(CC)o2)C[C@@H]1O 1099740400 CNGZYXVYMWCBFS-RYUDHWBXSA-N 324.381 -0.114 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)C2(C3CC3)CC2)[C@@H](O)C1 1099884659 ARCMZTYXOPYUAP-KGLIPLIRSA-N 319.405 -0.523 30 20 DBED Cc1cc(C#N)nc(N(C)CCNC(=O)[C@H]2CCNC(=O)C2)n1 1100006407 AYTTVNVYUNMPFZ-NSHDSACASA-N 316.365 -0.265 30 20 DBED N#CCN1CC[C@H](NC(=O)CCOC2CCOCC2)[C@@H](O)C1 1100071388 CUDOOKIRQBLMFL-KBPBESRZSA-N 311.382 -0.353 30 20 DBED CCOCCOCC(=O)NCCN(C)c1ccnc(C#N)n1 1100161698 FLFGONFEIGFMPN-UHFFFAOYSA-N 307.354 -0.046 30 20 DBED N#CCNC(=O)CNC1CC(CNC(=O)c2cccc(O)n2)C1 1100215219 DTHTYVIQTQVGOW-UHFFFAOYSA-N 317.349 -0.475 30 20 DBED CN(CCNC(=O)[C@@H]1CC[C@H]1C(N)=O)c1cnc(C#N)cn1 1100269093 OPPQUHWENUPXHC-GHMZBOCLSA-N 302.338 -0.588 30 20 DBED CN(CCNC(=O)c1ccn2nnnc2c1)c1ccc(C#N)nn1 1100278594 DQUGXGZKAPAUQV-UHFFFAOYSA-N 323.320 -0.348 30 20 DBED CC[C@@H](NC(C)=O)C(=O)NCCN(C)c1ccc(C#N)nn1 1100340034 MGLZNKKVAPRBQF-GFCCVEGCSA-N 304.354 -0.185 30 20 DBED C[C@H](C(=O)NCCN(C)c1ccc(C#N)nn1)S(C)(=O)=O 1100394103 MLNHWXYOSGFWAF-SECBINFHSA-N 311.367 -0.666 30 20 DBED C=C(Cl)CNC1CC(CNC(=O)C[C@@H]2NC(=O)NC2=O)C1 1100415402 OUKWKCATFODOCG-RTBKNWGFSA-N 314.773 -0.179 30 20 DBED CC#CCNC1CC(CNC(=O)c2cn(C)c(=O)nc2O)C1 1100978071 JAAOISQMHGXGKB-UHFFFAOYSA-N 304.350 -0.393 30 20 DBED C[C@@]12CN(CC#N)C[C@@H]1CN(C(=O)C(=O)NCC(F)F)C2 1101288180 FIJBIGRAMBILHB-RNCFNFMXSA-N 300.309 -0.328 30 20 DBED CC[C@@H](CNC(=O)C[C@@H]1CCC(=O)N1)N=c1cc[nH]c(C#N)n1 1103125905 SNOPVUJDXIDPGB-QWRGUYRKSA-N 316.365 -0.254 30 20 DBED CC[C@H](CNC(=O)[C@@H]1CCC(=O)N1)Nc1cnc(C#N)cn1 1103144253 RUFQZEPQKIACJO-KOLCDFICSA-N 302.338 -0.066 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)Cc1ccnn1C 1103939783 TZPVWWJETVSQOV-NSHDSACASA-N 313.365 -0.089 30 20 DBED C#CCNCC[C@@H]1CN(C(=O)CS(=O)(=O)N(C)C)C[C@H]1C 1104964817 OHYKFOXBCQINPL-CHWSQXEVSA-N 315.439 -0.415 30 20 DBED C=C(C)CCNCc1cn(C2CN(C(=O)CC(N)=O)C2)nn1 1105197034 CUUBRZGQHIEKSN-UHFFFAOYSA-N 306.370 -0.407 30 20 DBED C[C@H]1OCC[C@@H]1C(=O)N1CC(n2cc(CNCC#N)nn2)C1 1105349927 SZHBUYLKVIGCFT-MFKMUULPSA-N 304.354 -0.300 30 20 DBED CC(=O)NCC(=O)N1C[C@@]2(C[C@@H](O)[C@H](NCC#N)C2)[C@H]1C(C)C 1105587327 FWRINCJDMNGSMK-RRCSTGOVSA-N 322.409 -0.388 30 20 DBED N#Cc1cnc(NC[C@H](O)CNC(=O)Cc2ccon2)cn1 1105763493 JHJWJYNPXKUSCC-NSHDSACASA-N 302.294 -0.532 30 20 DBED CNC(=O)NCCC(=O)NC[C@H](O)CNc1ccc(C#N)cn1 1105815579 KIDOUAYXSTWNCM-LLVKDONJSA-N 320.353 -0.839 30 20 DBED C[C@@H]1CN(C(=O)c2cnns2)C[C@H]1CNCC(=O)NCC#N 1105873396 BMCIYALSEIBWRD-NXEZZACHSA-N 322.394 -0.524 30 20 DBED CC(=O)NC(C)(C)C(=O)NC[C@@H](O)CNc1nccnc1C#N 1105897296 BTRPRKSPRLHBAK-JTQLQIEISA-N 320.353 -0.848 30 20 DBED CN(C)CCOCC(=O)NC[C@@H](O)CNc1ccc(C#N)nc1 1105903768 LPMNTTMIGKLYDK-AWEZNQCLSA-N 321.381 -0.580 30 20 DBED C#Cc1cncc(C(=O)NC[C@@H](O)CNc2cncc(C#N)n2)c1 1106100618 TXJGNFZGHXNECB-AWEZNQCLSA-N 322.328 -0.073 30 20 DBED Cc1nc(C)c(C(=O)NC[C@H](O)CNc2ccc(C#N)nn2)[nH]1 1106110405 PKXNHUARXJHVOS-LLVKDONJSA-N 315.337 -0.109 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)CN2CCOCC2=O)C[C@H]1C 1106257505 HXZULRBZNZLBKR-ZIAGYGMSSA-N 307.394 -0.447 30 20 DBED COCCOCC(=O)N[C@H](C)CCN=c1cc[nH]c(C#N)n1 1106271912 RATFOCHLMYUGAG-LLVKDONJSA-N 307.354 -0.260 30 20 DBED C[C@H](CCNc1cncc(C#N)n1)NC(=O)[C@H]1COCCN1C 1106277550 IPRLIXWKBGHKFE-DGCLKSJQSA-N 318.381 -0.014 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)c1cnnn1CC 1106743001 DJQUZTYWOTVLMG-UHFFFAOYSA-N 314.353 -0.044 30 20 DBED C=CCO[C@@H](C)C(=O)NCc1cn(C2CN(CCOC)C2)nn1 1107241251 PLZDRASWFSTNPF-LBPRGKRZSA-N 323.397 -0.012 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)[C@@H]2CCNC(=O)CC2)C1 1108097115 BRICELZFHJDCCA-BBRMVZONSA-N 307.394 -0.257 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)[C@H]1COCCN1C 1108320265 ZUOXYPCGZAUMAR-WDEREUQCSA-N 304.354 -0.983 30 20 DBED C#CCN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCS(=O)(=O)NC)C2 1108689212 UUXYKWOZWXKPTK-AVGNSLFASA-N 313.423 -0.472 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)CN(C)c1cncc(C#N)n1 1108945515 RYGUWMCTMZOESX-LLVKDONJSA-N 314.349 -0.571 30 20 DBED C[C@H](CN(C)c1cncc(C#N)n1)NC(=O)C(C)(C)C(N)=O 1109124919 KAFDDKLLBVLWMY-SECBINFHSA-N 304.354 -0.199 30 20 DBED C[C@@H](CN(C)c1cncc(C#N)n1)NC(=O)[C@@H]1CCNC1=O 1109206880 YTLUJPNZBKYJTQ-GXSJLCMTSA-N 302.338 -0.575 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H](C)OCC#C 1110546365 VELZELZLWMMOQK-TUVASFSCSA-N 317.389 -0.504 30 20 DBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C1(C(N)=O)CC1 1110965829 KCCQMCOQTQOSNW-UTUOFQBUSA-N 320.393 -0.724 30 20 DBED CC(C)(O)CC(=O)NC[C@]1(O)CCN(c2nccnc2C#N)C1 1111065773 ICGOZXVDZPECQJ-OAHLLOKOSA-N 319.365 -0.433 30 20 DBED N#Cc1cccnc1N1CC[C@@](O)(CNC(=O)c2cnon2)C1 1111091381 PUZWYYVOOUQOOV-CQSZACIVSA-N 314.305 -0.293 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CCCN(c2nccnc2C#N)CC1 1111965088 RFTLOOWZKKKILK-GFCCVEGCSA-N 316.365 -0.041 30 20 DBED C[C@H]1CN(c2cnc(C#N)cn2)CC[C@@H]1NC(=O)CNC(N)=O 1112392429 GTWWEZAIKRMZFS-ONGXEEELSA-N 317.353 -0.652 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CCC[C@H]2OC)CC1 1113037593 NCLVGHLGCGWWKB-UONOGXRCSA-N 307.394 -0.305 30 20 DBED C[C@H](CNC(=O)C[C@H]1CCC(=O)N1)N(C)c1ccc(C#N)nn1 1113651728 IAHUDHIIIJJDKT-GHMZBOCLSA-N 316.365 -0.042 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@H]2CN(Cc3csnn3)C[C@H]12 1114157306 BXGMJZKRDHHLGG-QWRGUYRKSA-N 319.390 -0.776 30 20 DBED C=CCCN1C[C@H]2[C@H](NC(=O)CCS(=O)(=O)NC)[C@H]2C1 1114272971 FAGJNGATOKMAJS-PJXYFTJBSA-N 301.412 -0.452 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@@H](CC)NC(C)=O)[C@H]2C1 1114861772 IHCKQFZWSKOGHO-COMQUAJESA-N 322.409 -0.750 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2[C@@H]3CN(CCOCCO)C[C@@H]32)cn1 1115139932 NMPJKNXWNMZDQP-ZSHCYNCHSA-N 315.373 -0.268 30 20 DBED CNC(=O)CCCCC(=O)NC1[C@@H]2CN(CC#CCOC)C[C@@H]12 1115327900 GQPKUFQXNPSUMS-ZIAGYGMSSA-N 321.421 -0.011 30 20 DBED C#CCNC(=O)CC(=O)N(C)C[C@H](C)N=c1cc[nH]c(C#N)n1 1115685791 OGYDIQHLOPLSRT-NSHDSACASA-N 314.349 -0.832 30 20 DBED N#C[C@]1(F)CCN(C(=O)C(=O)N[C@H]2C[C@H]3CCCCN3C2=O)C1 1118104224 VYCROPNBKZWOQH-JRPNMDOOSA-N 322.340 -0.280 30 20 DBED C#CCOCCn1nnnc1N1CC[C@H]2NC(=O)CC[C@H]2C1 1120159637 BTGSYSLRTPNRDU-NWDGAFQWSA-N 304.354 -0.572 30 20 DBED COCC#CCNC1CC2(C1)CC(NC(=O)[C@H]1COC(=O)N1)C2 1121033457 DYYNUUPYRIUVME-HTVNSPLZSA-N 321.377 -0.238 30 20 DBED Cc1cc(C(=O)NC[C@@H](CO)Nc2cnc(C#N)cn2)on1 1121063268 ZDUNTZLVZXBDBE-JTQLQIEISA-N 302.294 -0.153 30 20 DBED Cn1nccc1C(=O)NC[C@H](CO)Nc1ccc(C#N)nn1 1121178315 SLTINCAHYMONRY-SNVBAGLBSA-N 301.310 -0.715 30 20 DBED N#Cc1nc(=N[C@@H](CO)CNC(=O)c2ncccc2O)cc[nH]1 1121340110 RGERQROPSUVOJQ-SECBINFHSA-N 314.305 -0.926 30 20 DBED N#Cc1cnc(N[C@@H](CO)CNC(=O)[C@@H]2[C@H]3COC[C@H]32)c(F)c1 1122372753 RQQLIQRNUMSJCQ-DCQANWLSSA-N 320.324 -0.126 30 20 DBED CN1C[C@@H](C(=O)NC[C@H](CO)Nc2ccc(C#N)nc2)CC1=O 1122718157 LYSJTKCIOOVWCA-GXFFZTMASA-N 317.349 -0.679 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)c1cnc(C)cn1 1122916735 IEKUAANBLAPOMM-UHFFFAOYSA-N 318.381 -0.133 30 20 DBED CN(C[C@@H](O)CNc1ccc(C#N)cn1)C(=O)[C@H]1COC(=O)N1 1124270697 BGBXOJNJXZEDLR-WDEREUQCSA-N 319.321 -0.707 30 20 DBED CN(C[C@@H](O)CNc1ccc(C#N)nn1)C(=O)CC1(O)CCC1 1124278869 QAKMFRQHZHRSGU-LBPRGKRZSA-N 319.365 -0.115 30 20 DBED Cc1cc(=NC2CC(N(C)C(=O)CNC(N)=O)C2)c(C#N)c[nH]1 1126847703 VIWLMJSKOVPRCI-UHFFFAOYSA-N 316.365 -0.247 30 20 DBED N#CCSCC(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1 1128723978 OHWVTORQWWXLOE-MNOVXSKESA-N 305.367 -0.600 30 20 DBED COCC#CCNCCNC(=O)[C@H](Cn1cccn1)N(C)C 1129385364 DLVAJLAQAKUVOP-AWEZNQCLSA-N 307.398 -0.831 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2csnn2)CC[C@@H]1C 1132206884 OXYSJYHARPWLMN-QWRGUYRKSA-N 321.406 -0.130 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)CCN(C)C 1133294776 TWQTYBHBQHLKKR-LLVKDONJSA-N 313.402 -0.956 30 20 DBED C=CCn1cc(C(=O)NCCN[C@H](C)c2n[nH]c(C)n2)nn1 1134969996 NKXZHKDTCUDQHL-SECBINFHSA-N 304.358 -0.029 30 20 DBED C#CCCCC(=O)N1CC2(CCN(Cc3nc(=O)n(C)[nH]3)C2)C1 1147441276 UBKQQDCVZNLUOT-UHFFFAOYSA-N 317.393 -0.054 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1c2c(nn1C)CCC2 1147633932 BDMQVHLKZSZDNF-NSHDSACASA-N 317.393 -0.634 30 20 DBED CC#CCN1CCCO[C@@H](CNC(=O)CN2CCCC2=O)C1 1149159683 JRIAWDSVSNCPKC-AWEZNQCLSA-N 307.394 -0.161 30 20 DBED C#CCCN1CCCO[C@@H](CNC(=O)COCCN(C)C)C1 1150587431 HODLOHFXLKILOE-HNNXBMFYSA-N 311.426 -0.205 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)c1ccnn1C 1152272982 BUHRDXWUEOLMAX-LLVKDONJSA-N 306.370 -0.500 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)CCC(=O)NCC 1155684011 HYDSWCYMIRIRED-LBPRGKRZSA-N 312.414 -0.311 30 20 DBED N#CCNC(=O)CN1CC=C(CCNC(=O)c2ncc[nH]2)CC1 1160048526 NOSIICDSXCDGJD-UHFFFAOYSA-N 316.365 -0.199 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)COc1cc(C)on1 1160367125 USKOMWZEECSWEZ-GFCCVEGCSA-N 322.365 -0.404 30 20 DBED C#CCNC(=O)CNCCCNC(=O)C1CCC(C(N)=O)CC1 1161602191 FSKFTTNMNJTOFT-UHFFFAOYSA-N 322.409 -0.877 30 20 DBED C#CCN1CCC(CNC(=O)[C@@H](C)NC(C)=O)(COC)CC1 1162081264 NDMCDNJFIVTHBV-CYBMUJFWSA-N 309.410 -0.011 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1cccnc1OC 1165749007 ZZLDHPFGZWKXKW-UHFFFAOYSA-N 304.350 -0.451 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 1167093454 NGGNKAQLNMDDLJ-SYQHCUMBSA-N 307.394 -0.212 30 20 DBED C#CCNCC1(CCNC(=O)CCS(=O)(=O)N(C)C)CC1 1168291449 XMZVYTPGSSAAJN-UHFFFAOYSA-N 315.439 -0.223 30 20 DBED N#CCNC(=O)CNCCCNC(=O)c1cc2c([nH]1)CCC2 1170903085 MQOBUGFGRGWDKQ-UHFFFAOYSA-N 303.366 -0.147 30 20 DBED C=C(C)CN(CC)C(=O)CNCCCNC(=O)[C@@H]1CCC(=O)N1 1171624396 RHIGZTNMEVQSQG-ZDUSSCGKSA-N 324.425 -0.215 30 20 DBED C[C@H](C(=O)NCCCNCC(=O)NCC#N)N1CCCCC1=O 1176851282 UVCQLVBJYVWQQC-GFCCVEGCSA-N 323.397 -0.877 30 20 DBED CC#CCN[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(CCOC)C2)C1 1182965276 VJVCRTKQNRLVJF-ZIAGYGMSSA-N 307.394 -0.305 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)C[C@@H]2CCC(=O)N2C)C1 1184792872 XEKSXCHVDNSYNW-KGLIPLIRSA-N 307.394 -0.162 30 20 DBED C#CCN1C[C@@H]2CCN(C(=O)CNC(=O)C3CCOCC3)[C@@H]2C1 1189454182 SJKUVFCBJAFFAY-LSDHHAIUSA-N 319.405 -0.305 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC[C@H](N(C)CCOCCO)C1 1189917490 HIAFGOPFLHQAEH-DZGCQCFKSA-N 300.399 -0.145 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)/C=C(/C)C2CC2)C1 1191392047 FVGTUCHFAGPTAL-SHGVQXQWSA-N 319.405 -0.358 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2cccnc2)C[C@H]1O 1192844270 NRHFAICDEGEIHO-BPLDGKMQSA-N 303.362 -0.219 30 20 DBED CCS(=O)(=O)NCCN1CCCN(C(=O)[C@H](C)C#N)CC1 1195322104 UAOXJDAXEZNFHC-GFCCVEGCSA-N 316.427 -0.380 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)C2CCN(C)CC2)C1 1195830190 YORULZVRQSJCKC-HUUCEWRRSA-N 309.410 -0.861 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)C[C@@H](C)n2ccnc2)C1 1196500306 RLHXTHWYWJDYOX-RBSFLKMASA-N 320.393 -0.355 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2C2CC2)C1 1196797640 FLZXMYXMEPAHND-REWJHTLYSA-N 307.394 -0.504 30 20 DBED CS(=O)(=O)C1(C(=O)N[C@@H]2CN(CC#N)C[C@H]2O)CCCC1 1196899157 RLCTVYVZIMHUFW-GHMZBOCLSA-N 315.395 -0.971 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)CS(=O)(=O)C(C)C)C1 1198761154 FGNYHRBJLSGSPW-CHWSQXEVSA-N 318.439 -0.063 30 20 DBED N#CCNC(=O)CNC1CCN(C(=O)[C@@H]2CCCOC2)CC1 1199706588 MLIGTDODIYWYCA-GFCCVEGCSA-N 308.382 -0.367 30 20 DBED CC#CCNC[C@H]1CN(C(=O)[C@]2(C)CNC(=O)C2)CCCO1 1201052759 WJPBRGDQNYJWLQ-BBRMVZONSA-N 307.394 -0.257 30 20 DBED C=CCCNC[C@@H]1CN(C(=O)[C@@H]2CC(=O)NC(=O)N2)CCCO1 1201515728 NAJSGPYPWWFDTJ-NEPJUHHUSA-N 324.381 -0.632 30 20 DBED C#CCOCCC(=O)N1CCC(CNCC(=O)N(C)C)CC1 1205259360 XGPDHNMXKZDEIU-UHFFFAOYSA-N 309.410 -0.057 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CN(CC(=O)N2CCOCC2)C[C@H]1C 1206640643 IQCIWNWFFFGRKH-YNEHKIRRSA-N 308.382 -0.559 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(C[C@@H]2CCOC2)C[C@H]1C 1206893044 VEDAOTCCWIKRDL-HZSPNIEDSA-N 307.394 -0.401 30 20 DBED CCC(=O)N[C@H](C)C(=O)N[C@@H]1CN(CC#CCOC)C[C@H]1C 1207077943 GBQJRGQUWCTFQG-MGPQQGTHSA-N 309.410 -0.013 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)C(C)(C)N(C)CC)[C@H](C)C1 1207750734 WKGFIFRFJCSXQS-ZIAGYGMSSA-N 322.453 -0.097 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@@H](OC)C2CC2)C1 1207935834 XBIIONJPLVAMNJ-HIFRSBDPSA-N 307.394 -0.259 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)[C@H]1OCC[C@H]1C 1208738903 LHEKGIFMEGUGPQ-BYNQJWBRSA-N 308.382 -0.512 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)CC(=O)N(C)C)[C@H](C)C1 1209283411 PUTGRWAFYPRNNZ-FRRDWIJNSA-N 324.425 -0.408 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)/C(C)=C/CC)[C@H](OC)C1 1211964463 NUOZWNJMUHLUKM-XCEACWERSA-N 307.394 -0.093 30 20 DBED CO[C@@H]1CN(CCNC(=O)C2CC2)C[C@H]1NC(=O)[C@H](C)C#N 1212045540 QLTPDQXWWKTJTK-RAIGVLPGSA-N 308.382 -0.512 30 20 DBED C=CCC[C@@H](C)N1C[C@@H](NC(=O)Cn2ncnn2)[C@H](OC)C1 1212281829 CMPYUKJQTAWCFA-JHJVBQTASA-N 308.386 -0.157 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)[C@@]23CCC[C@@H]2C3)[C@H](OC)C1 1213195749 SIMSKDHWVYSPDS-VMUDFCTBSA-N 319.405 -0.259 30 20 DBED CCNC(=O)NC(C)(C)C(=O)N[C@@H]1CN(CC#N)C[C@H]1OC 1213523070 MAZLMMZPOBLACS-GHMZBOCLSA-N 311.386 -0.577 30 20 DBED C=CCOCC(=O)N1C[C@@H](NC[C@@H](O)Cn2cccn2)[C@H](C)C1 1214329361 DXECPJGAQWJNOH-RBSFLKMASA-N 322.409 -0.117 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1C[C@@H](NC[C@@H](O)COC)[C@H](C)C1 1214878772 GGSPYFUHQSVXHQ-FPCVCCKLSA-N 323.437 -0.472 30 20 DBED CCCCS(=O)(=O)NCC(=O)N1C[C@@H](NCC#N)[C@H](C)C1 1216580019 ICKWNLLERZORLT-VXGBXAGGSA-N 316.427 -0.334 30 20 DBED C=CCOCC(=O)N1CCO[C@@H]2CN(Cc3nc(O)n[nH]3)C[C@@H]21 1217532711 NDVKQVDWSJOXSC-WDEREUQCSA-N 323.353 -0.876 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)COC[C@@H]1CCOC1 1218715191 CTENADJRJQQFKK-OWCLPIDISA-N 322.405 -0.026 30 20 DBED CC(C)(C)/C=C/C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@@H]1O 1219377536 PCYHILOAHOOPBI-RVAOTSRCSA-N 308.382 -0.610 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2ocnc2C)C1 1219417743 BXNPZZLEZIEYAG-MNOVXSKESA-N 308.338 -0.940 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(Cc2cc(C)on2)C[C@@H]1O 1219526739 AIDRKJBKKRGDKW-VNHYZAJKSA-N 309.366 -0.029 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](NC(=O)CNC(=O)N2CCCC2)C1 1219611825 LISCGYKYZPSUOI-KGLIPLIRSA-N 324.425 -0.081 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)CCCN2C(=O)CCC2=O)C1 1219748026 BUSNWXINPPKOMZ-OLZOCXBDSA-N 321.377 -0.900 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCC2(F)F)C1 1219858369 OOALFEAEWLXWDB-UTUOFQBUSA-N 302.321 -0.157 30 20 DBED CC1(C)CCC[C@@H]1C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@@H]1O 1220166015 QIJGPGKBXOTAPO-UPJWGTAASA-N 322.409 -0.386 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)c2nocc2C)CC1 1229895998 RWILILQBNZQWIX-UHFFFAOYSA-N 304.350 -0.073 30 20 DBED CC(C)C#CC(=O)NCC[C@@H]1CN(CCO)CCS1(=O)=O 1230459257 DTAJHBBQRHRLJT-CYBMUJFWSA-N 316.423 -0.757 30 20 DBED CN(C[C@@H]1CCN1CC(=O)NCC#N)C(=O)[C@@H]1CCCCO1 1233683152 LWIAKKQZULPTKQ-STQMWFEESA-N 308.382 -0.272 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)NCCNC(=O)c1cccnc1 1257050452 FULUCDBPEBBVIN-LBPRGKRZSA-N 320.349 -0.755 30 20 DBED COCCN(CCN(C)C)C(=O)C(=O)NCC1(CC#N)CC1 1324174141 PLQXHTVSPLYRAN-UHFFFAOYSA-N 310.398 -0.167 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)C(=O)N2CCC[C@H](CCO)C2)C1 1328442387 CSRQMTUJZGOGDG-IUODEOHRSA-N 309.366 -0.516 30 20 DBED N#CC1CCN(C(=O)C(=O)N2[C@H]3CC[C@H]2CC(=O)NC3)CC1 1328870436 PVGLZFKLTIKJCE-RYUDHWBXSA-N 304.350 -0.372 30 20 DBED CN(CCOCCN)C(=O)C(=O)NCC#Cc1ccccc1 1329069538 NJARROPQXKFCTQ-UHFFFAOYSA-N 303.362 -0.412 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CC([C@@H]3CCOC3)C2)nn1 1329222484 LVRFZRKZRHSXFF-LLVKDONJSA-N 319.365 -0.425 30 20 DBED CC[C@@H]1CN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)CCCO1 1329453023 OGUHVCLMJGHSPR-IUODEOHRSA-N 309.366 -0.109 30 20 DBED C#CCn1ccc(CN(CC)C(=O)C(=O)NC[C@H]2C[C@H](N)C2)n1 1332341130 OTGSOJHFXCTSTA-JOCQHMNTSA-N 317.393 -0.282 30 20 DBED CC(=O)N1C[C@H]2CN(C(=O)C(=O)NCC3(CC#N)CC3)C[C@H]2C1 1334592793 CYRMLGWVJNAUOJ-BETUJISGSA-N 318.377 -0.267 30 20 DBED C=CCn1c([C@@H](O)C2CC2)nnc1N1CCO[C@H](C(=O)NC)C1 1339451041 VTDIMBZNDBCCAP-RYUDHWBXSA-N 321.381 -0.141 30 20 DBED CNC(=O)[C@H]1CCC[C@H]1NC(=O)C(=O)N1CCC(C#N)CC1 1343048708 DKULYRMQXXBDHK-NWDGAFQWSA-N 306.366 -0.221 30 20 DBED CN(CCS(C)(=O)=O)C(=O)C(=O)NCC1(CC#N)CC1 1343810026 KXWSQWQKDZIWEW-UHFFFAOYSA-N 301.368 -0.701 30 20 DBED CN1CCC(CN(C)C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)CC1 1345966050 OKMIWRBQAJVNLB-INIZCTEOSA-N 322.409 -0.336 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)N2CC[C@@]3(CCOC3)C2)C1 1349345519 YNEXHACBAYOCAU-CABCVRRESA-N 307.350 -0.498 30 20 DBED C=CCN(C(=O)C(=O)N1CC[C@H](NC(C)=O)C1)[C@H](C)COC 1350282984 ULKJIPKYJBSNPD-YPMHNXCESA-N 311.382 -0.227 30 20 DBED C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)CCO1 1352329748 KOJZYAYHHKJDIB-MBNYWOFBSA-N 320.393 -0.131 30 20 DBED C#CCN1CCN(c2nnc([C@H](C)S(C)(=O)=O)n2C)CC1 1355490525 NGBLVOSGOWUVCL-NSHDSACASA-N 311.411 -0.324 30 20 DBED C[C@@]1(O)CCCN(C(=O)Cn2cc(C#N)c(O)nc2=O)CC1 1362416541 DQXIFYLBOZOEOJ-CQSZACIVSA-N 306.322 -0.416 30 20 DBED N#Cc1cn(CCC(=O)N[C@H](CO)CC2CC2)c(=O)nc1O 1362488613 QGHRKCLUTNVOKA-NSHDSACASA-N 306.322 -0.512 30 20 DBED N#Cc1ccc(C(=O)N2CCS(=O)(=O)[C@@H]3COCC[C@H]32)[nH]1 1363412456 FYGKVXAOOWYMJW-VXGBXAGGSA-N 309.347 -0.086 30 20 DBED Cn1c(=O)[nH]c(N2CCC[C@@H](C3OCCO3)C2)c(C#N)c1=O 1364146945 FKDBQVWGPDPITR-SECBINFHSA-N 306.322 -0.465 30 20 DBED N#Cc1ncn(CCNC(=O)N[C@H]2C[C@@H]3CCCCN3C2=O)n1 1365385707 XBCBOMTYHAZOME-QWRGUYRKSA-N 317.353 -0.398 30 20 DBED C[C@H](CC(N)=O)C(=O)N[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 1372277915 BSSVWOOXEVZJLF-MWLCHTKSSA-N 317.349 -0.271 30 20 DBED C[C@H](C#N)C(=O)NC1CCC(NC(=O)Cn2cnnn2)CC1 1372734687 MRGGCZUZBNPGBK-KPPDAEKUSA-N 305.342 -0.624 30 20 DBED COC(=O)NCC(=O)N1CCC[C@H](N(C)C(=O)[C@H](C)C#N)C1 1373205184 LZSSASVTDCVWCG-MNOVXSKESA-N 310.354 -0.049 30 20 DBED C=C(Cl)CN1CCC[C@H](NC(=O)CS(=O)(=O)NC)C1 1376070903 IXTFZZYSHJXCFX-JTQLQIEISA-N 309.819 -0.131 30 20 DBED C[C@@H](C#N)C(=O)NC1CN(C(=O)[C@H]2CCc3nccn3C2)C1 1387806653 SJZGNCBFHWQULR-QWRGUYRKSA-N 301.350 -0.068 30 20 DBED CCn1cnc(C(=O)N(C)C[C@H](O)CNC(=O)[C@@H](C)C#N)c1 1396036273 RWCZLNVNOTXRJS-WDEREUQCSA-N 307.354 -0.388 30 20 DBED Cc1cnc(C(=O)N(C)C[C@H](O)CNC(=O)[C@@H](C)C#N)cn1 1413207594 PVQIBLQLHAXCLW-GXSJLCMTSA-N 305.338 -0.506 30 20 DBED CC(C)(C)CS(=O)(=O)NCCn1cc(C#N)c(O)nc1=O 1413397073 CKMVXWPBGOPWPI-UHFFFAOYSA-N 314.367 -0.214 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](NC(=O)CCN2CCCC2=O)C1 1429843553 NOZLHCOCTBITKQ-NEPJUHHUSA-N 306.366 -0.124 30 20 DBED CCN(C(=O)Cn1cncn1)[C@H]1CCN(C(=O)[C@H](C)C#N)C1 1432565565 FEVJKGUYEXGMIS-NEPJUHHUSA-N 304.354 -0.113 30 20 DBED CC1(C)C[C@@H](NC(=O)CCn2cc(C#N)c(O)nc2=O)C(=O)O1 1433829440 VAFRWDGUOMALLB-SECBINFHSA-N 320.305 -0.579 30 20 DBED CN(CCNC(=O)[C@@H]1CCC(=O)N1C)C(=O)c1ccc(C#N)[nH]1 1455407882 QDMIIHFVGJBQRS-LBPRGKRZSA-N 317.349 -0.305 30 20 DBED COC(=O)NCC(=O)NC[C@H](C)N(C)C(=O)c1c[nH]c(C#N)c1 1486812807 TUHVKDRJFNTTHU-VIFPVBQESA-N 321.337 -0.181 30 20 DBED CCNC(=O)NC(=O)CN1CC[C@@H](NC(=O)C#CC2CC2)C1 1490539085 LNGJIVXOFRIERS-GFCCVEGCSA-N 306.366 -0.564 30 20 DBED C=CCCC[C@@H](NC(=O)Cn1[nH]cc2c(=O)ncnc1-2)C(=O)O 1573357215 KDROUZBSFVITAI-SNVBAGLBSA-N 319.321 -0.003 30 20 DBED C[C@H]1CN(c2cnc(C#N)c(-c3nn[nH]n3)n2)C[C@H](C)C1O 1576366771 UXRDHTSIEBYLBX-YUMQZZPRSA-N 300.326 -0.019 30 20 DBED CCN(CCN=c1cc[nH]c(-c2nn[nH]n2)n1)C(=O)[C@@H](C)C#N 1578127582 BFOBERDLUJMRTK-VIFPVBQESA-N 315.341 -0.501 30 20 DBED COC(=O)[C@@H]1CC[C@@H]1C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[nH]1 1579467905 LLECUWSGVBSDKC-NTSWFWBYSA-N 316.281 -0.401 30 20 DBED CC1(C)CO[C@@H](Cn2c(=O)c(C#N)cn(CC(=O)O)c2=O)C1 1589232360 SIISXNSBBBFXIY-SNVBAGLBSA-N 307.306 -0.219 30 20 DBED CCNC(=O)NC(=O)Cn1c(C)nc(C#N)c1-c1nn[nH]n1 1590743805 DPXKIXUQOQXTOQ-UHFFFAOYSA-N 303.286 -0.911 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N[C@@H]2CCC[C@H]2CC(=O)O)CCO1 1601062617 INVCRJUFJLRABH-HBNTYKKESA-N 317.367 -0.311 30 20 DBED C#CCN(CC(=O)O)c1nnnn1[C@H]1CCN(C(=O)CC)C1 1602700694 FIWKBGWQUJXCLX-JTQLQIEISA-N 306.326 -0.619 30 20 DBED C#CCN(CC1CC1)C(=O)NCCn1cnc(-c2nn[nH]n2)n1 1609020715 DQGHORZUYRCPEP-UHFFFAOYSA-N 315.341 -0.487 30 20 DBED N#Cc1cccc(C(=O)NCCn2cnc(-c3nn[nH]n3)n2)n1 1609499831 LQUZZLREVDIAAN-UHFFFAOYSA-N 310.281 -0.845 30 20 DBED N#C[C@H]1CN(S(=O)(=O)N2CCCN3CCC[C@H]3C2)CCO1 1647177110 BUHYPPLKAFDITJ-STQMWFEESA-N 314.411 -0.374 30 20 DBED C=CCn1cc(C(=O)NCCCN(C)[C@H]2CCCNC2=O)nn1 1752078389 STDLRWKFFYROQX-ZDUSSCGKSA-N 320.397 -0.206 30 20 DBED N#CCNC(=O)CN1C[C@@H]2CC[C@H](C1)N2C(=O)c1cncnc1 1752533213 SVENGRKSYIHDHP-BETUJISGSA-N 314.349 -0.595 30 20 DBED C=CCNC(=O)CN[C@H](C)CNC(=O)c1cc2ncccn2n1 1752908733 HWIPIEJJPGKMSK-LLVKDONJSA-N 316.365 -0.261 30 20 DBED C#CCNC(=O)CN[C@H](C)CCNC(=O)Cc1ccn(C)n1 1753005570 RIUYHHNVPWCZFT-GFCCVEGCSA-N 305.382 -0.804 30 20 DBED C#CCNC(=O)CN(CCNC(=O)[C@H]1C[C@H](C)CO1)C1CC1 1753157152 XMKGOHVIJQMROU-GXTWGEPZSA-N 307.394 -0.259 30 20 DBED C=CCNC(=O)CNC[C@@H]1CCC[C@H]1NC(=O)c1cnon1 1753900400 XQHTWUUGROFTNB-WDEREUQCSA-N 307.354 -0.140 30 20 DBED C=CCNC(=O)[C@H](C)NCCN(CC)C(=O)[C@@H]1CCCNC1=O 1754050726 JIFDCCLZABMQMN-QWHCGFSZSA-N 324.425 -0.359 30 20 DBED N#CCNC(=O)CN1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 1754486523 PYKSYQHABQSLMI-IJLUTSLNSA-N 316.365 -0.657 30 20 DBED COCC#CCN1[C@H]2CCC[C@H]1CN(C(=O)[C@H](C)NC(N)=O)C2 1754551545 IJOVAUVIOGEKJP-IHRRRGAJSA-N 322.409 -0.242 30 20 DBED C#CCN(C(=O)c1cncnc1C)C1CCN(CC(N)=O)CC1 1754633126 OMMVEYATTQHAHU-UHFFFAOYSA-N 315.377 -0.190 30 20 DBED C=CCn1cc(C(=O)NC[C@]2(O)CCN(C[C@H](C)OC)C2)nn1 1754758329 DKSCITPVCJKUMB-SWLSCSKDSA-N 323.397 -0.334 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN([C@@H](C)c2nnnn2C)C1 1754771914 QRGSRNGBPFDUNO-JTQLQIEISA-N 308.386 -0.354 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2CN(Cc3cnn(C)n3)C[C@@H]2C1 1754842525 QXWFRGCXZORFPM-MELADBBJSA-N 317.393 -0.256 30 20 DBED C#CCNC(=O)CN1CCC[C@](CO)(NC(=O)c2ccc[nH]2)C1 1754851755 SSNJJMANERXCQJ-INIZCTEOSA-N 318.377 -0.679 30 20 DBED COCC#CCNCCN(CCO)C(=O)C1CCC(O)CC1 1754881248 HCFVIEKGLSNGNC-UHFFFAOYSA-N 312.410 -0.402 30 20 DBED CC(C)(F)C(=O)N1CCO[C@H](CNCC(=O)NCC#N)C1 1754994414 GJKCIDMVIYNGQW-SNVBAGLBSA-N 300.334 -0.809 30 20 DBED COCC#CCN[C@]1(CO)CCCN(C(=O)c2cnn(C)c2)C1 1755080512 HAEJFHLASBOMTC-MRXNPFEDSA-N 320.393 -0.373 30 20 DBED C[C@H]1CN(C(=O)CCS(=O)(=O)N(C)C)C[C@H]1NCC#N 1755120867 BENMZTWMMFGZAO-WDEREUQCSA-N 302.400 -0.772 30 20 DBED COCC#CCN1C[C@H]2[C@H](CNC(=O)[C@@H]3CCNC3=O)[C@H]2C1 1755426986 XDASREKPTXDUEC-SYQHCUMBSA-N 305.378 -0.934 30 20 DBED CN(CCOCCNC(=O)C(N)=O)Cc1cc(C#N)ccc1F 1755542817 ACNUKPHPJFWTJC-UHFFFAOYSA-N 322.340 -0.253 30 20 DBED C#CCNC(=O)CN1CCC[C@H](NC(=O)c2nonc2C)[C@H]1C 1755723528 QQGUQDJZHBKPMJ-NEPJUHHUSA-N 319.365 -0.290 30 20 DBED C#CCNC(=O)CNC[C@@H]1CC[C@@H](NC(=O)Cc2cnc[nH]2)C1 1755741379 IFRZMQLPRLMNJE-CHWSQXEVSA-N 317.393 -0.424 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C[C@@H](O)CN(C)Cc1ncccn1 1755800438 IKLAMAFEMWDSKD-KGLIPLIRSA-N 320.393 -0.234 30 20 DBED C#CCOCCC(=O)N[C@H]1CN(C(=O)CC(=O)NC)CC1(C)C 1756175605 AEHVLXKKFFYXGK-LBPRGKRZSA-N 323.393 -0.484 30 20 DBED C=CCn1cc(C(=O)NC[C@@H](CO)NC(=O)[C@@H](F)CC)nn1 1756522478 KLPOROMCNMPPFC-UWVGGRQHSA-N 313.333 -0.581 30 20 DBED CNC(=O)C1(C(=O)N(C)C[C@H](O)CNC(=O)C#CC(C)C)CC1 1756668300 GQYGPLVPEVWORW-GFCCVEGCSA-N 323.393 -0.893 30 20 DBED C[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1CC1 1793261355 IZQUZTUXKCGGOE-IKVITTDRSA-N 306.362 -0.630 30 20 DBED CC(C)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1795102850 ALXZXWOFJYGMGT-DRXBFXEBSA-N 322.361 -0.290 30 20 DBED CN1CC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC#N)C1 1795420711 CMRYTSWZVPBJPT-AGGWBTHJSA-N 320.393 -0.559 30 20 DBED CC(C)[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN 1795525021 PUHCNMRFNYSAGO-LYIQGSDWSA-N 315.439 -0.511 30 20 DBED CS(=O)(=O)CC(=O)N1CC2(CCCN2C(=O)CCC#N)C1 1842812785 LVALSFWZPLQUFA-UHFFFAOYSA-N 313.379 -0.462 30 20 DBED CC(C)=NO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(O)O 1847446065 JEDCXMGBRSJYNT-DCAQKATOSA-N 313.354 -0.700 30 20 DBED CC(C)[C@@H](S)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](N)CN 1847828144 AFSKDZRVYOUIEB-FIQHERPVSA-N 314.455 -0.571 30 20 DBED C=CCNC(=O)NC(=O)CN1CC[C@@H](N2CCN(CC)CC2)C1 107372256 YQVYDZBKKJBCFX-CQSZACIVSA-N 323.441 -0.290 30 20 DBED N#C[C@@H]1CN(C(=O)c2nc(=O)[nH][nH]2)CCN1Cc1ccccc1 114558211 RSEYVTHDFDFXAW-GFCCVEGCSA-N 312.333 -0.052 30 20 DBED C=CCN(C)CC(=O)N(CCOC)[C@H]1CCS(=O)(=O)C1 121186977 UTVLFFDLXICUTO-LBPRGKRZSA-N 304.412 -0.234 30 20 DBED CN1CCC[C@H]2CN(c3c(C#N)c(=O)n(C)c(=O)n3C)CC[C@H]21 268810746 HEYGRTORPMHXRW-WCQYABFASA-N 317.393 -0.124 30 20 DBED C#CCn1ccc(CN(CC)C(=O)CN2CCCS2(=O)=O)n1 278876746 CKCHXIHVLOKSSC-UHFFFAOYSA-N 324.406 -0.100 30 20 DBED CN(CCOCCO)C(=O)C(=O)N1CCc2ccc(C#N)cc21 282084402 CRRICCOFPNQBSW-UHFFFAOYSA-N 317.345 -0.085 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N[C@H]1C(=O)NCC[C@@H]1C 282603599 GFYUWORISYVXDI-VHSXEESVSA-N 303.384 -0.589 30 20 DBED CO/N=C/C(=O)N1CCN(c2ncnc3c2cnn3C)CC1 283185362 HOAAZDGXIPPTTL-CAOOACKPSA-N 303.326 -0.356 30 20 DBED C=C[C@H](CO)NC(=O)NCc1ccc(S(N)(=O)=O)cc1C 291512010 JTQGMTXJLNERIY-LLVKDONJSA-N 313.379 -0.011 30 20 DBED COCCN1CN(/C(O)=N/[C@H](C)CN2CCCC2=O)CC1=O 328733997 JVFXGJSUYUVXKL-LLVKDONJSA-N 312.370 -0.341 30 20 DBED N#Cc1ccc(N2CCN(C(=O)C3(CO)COC3)CC2)nc1 329223479 YCQSCAIRRDLMJO-UHFFFAOYSA-N 302.334 -0.389 30 20 DBED CC(C)N1C[C@H](/N=C(/O)CN2CCS(=O)(=O)CC2)CC1=O 329646019 AXEGFGCTVCCHBG-LLVKDONJSA-N 317.411 -0.317 30 20 DBED O=C1CCC(=O)N1CC/N=C(/O)N1CCC[C@@H](n2cncn2)C1 329794822 CIGFWGFEZSTLRE-LLVKDONJSA-N 320.353 -0.022 30 20 DBED COCc1nc2n(n1)C[C@H](/N=C(/O)N[C@H]1CC(=O)N(C)C1)CC2 329795298 CUGPCGKRBKNUQD-ZJUUUORDSA-N 322.369 -0.526 30 20 DBED CC/N=C(/O)N1CCN(C(=O)[C@@H]2CCc3nnn(C)c3C2)CC1 330122168 HFPIAIODWVNKRC-LLVKDONJSA-N 320.397 -0.002 30 20 DBED COC(=O)CN1CCN(S(=O)(=O)c2ccc(C#N)nc2)CC1 331179562 QWSLTRUHJVIJBX-UHFFFAOYSA-N 324.362 -0.567 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)NCCN1CCCOCC1 332040986 UGHVRWAABIXZDV-LBPRGKRZSA-N 304.416 -0.223 30 20 DBED CCOC(=O)[C@H](C)CNS(=O)(=O)N1CCO[C@@H](C#N)C1 336890143 IXNVJSIIOPTDQR-ZJUUUORDSA-N 305.356 -0.756 30 20 DBED COC(=O)C[C@@H]1CCCN1S(=O)(=O)N1CCO[C@@H](C#N)C1 336931323 BOUASUKCQPWBIF-QWRGUYRKSA-N 317.367 -0.517 30 20 DBED Cc1noc(C(C)(C)NS(=O)(=O)N2CCO[C@H](C#N)C2)n1 340730341 BUVIVMYTDZRTCD-SECBINFHSA-N 315.355 -0.328 30 20 DBED C=CC[C@@H](CO)CNC(=O)c1cc(N2CCNC(=O)C2)ccn1 346587709 HNUUHAJCTQVNSG-GFCCVEGCSA-N 318.377 -0.068 30 20 DBED COc1cc(OC)cc(S(=O)(=O)NCC(=O)NCC#N)c1 352532576 RVLJVVWQOABLSK-UHFFFAOYSA-N 313.335 -0.378 30 20 DBED COCCN(CCOC)C1CCN(CC(=O)NCC#N)CC1 353031503 VHJNHMOQZWUYAK-UHFFFAOYSA-N 312.414 -0.315 30 20 DBED C=C(C)COCCNC(=O)Nc1ncn(CC(=O)N(C)C)n1 354200409 UNFGAZGYCBDVGU-UHFFFAOYSA-N 310.358 0.081 30 20 DBED CNS(=O)(=O)C[C@@H]1CCCN1CCC(=O)N(C)CCC#N 357020165 NRGSKJSYNJHRQR-LBPRGKRZSA-N 316.427 -0.238 30 20 DBED C=CC[C@H](CO)CNS(=O)(=O)CCCN1CCOCC1 361816621 VIZYFEJIPIMRQP-ZDUSSCGKSA-N 306.428 -0.187 30 20 DBED CC(C)NC(=O)CN1CCN(C(=O)[C@H](N)CCCC#N)CC1 424130960 FWEHBRBSCYEMQF-CYBMUJFWSA-N 309.414 -0.324 30 20 DBED CC[C@@H](C)[C@H](O)CNC(=O)C(=O)Nc1ccn(CCC#N)n1 444586950 STLIURFOEJCALZ-GHMZBOCLSA-N 307.354 0.258 30 20 DBED C#CCN(CC#CC)CC(=O)N(CC)[C@H]1CCS(=O)(=O)C1 490680129 XPZSRWLPCOZFFJ-AWEZNQCLSA-N 310.419 -0.020 30 20 DBED C#CCNC(=O)CCNC[C@H](O)COc1ccc2c(c1)OCO2 491415899 ISMJLAVJHFRABB-LBPRGKRZSA-N 320.345 -0.116 30 20 DBED C#CCN(C1CC1)S(=O)(=O)CCCS(=O)(=O)N(C)C 491700231 SMPBYMMOAHKJKZ-UHFFFAOYSA-N 308.425 -0.305 30 20 DBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)CN1CSCC1=O 538254113 LZXZAXSINZLVNA-UHFFFAOYSA-N 322.394 -0.213 30 20 DBED C=CCN1CC[C@@H](N(C)c2nc(N)nc3c2cnn3C)C1=O 570865377 AHWTXYKIEPJWFL-SNVBAGLBSA-N 301.354 0.169 30 20 DBED CC[C@H](C)N(C)CCNC(=O)C(=O)NC1CCN(CC#N)CC1 586870437 QJDWZRCKKHHAIO-ZDUSSCGKSA-N 323.441 -0.063 30 20 DBED COc1cncc(NC(=O)C(=O)N2CCC[C@](C)(C#N)C2)n1 593587862 HZWLKTBZGLTJGA-CQSZACIVSA-N 303.322 0.576 30 20 DBED CC(C)[C@@](C)(C#N)NC(=O)CN1C(=O)N[C@]2(CCOC2)C1=O 611115405 SBVXGVCEZSOYDL-KGLIPLIRSA-N 308.338 -0.248 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)NCC(=O)NC2CCCC2)CCO1 619709111 VWTCRSXMMISSFE-LLVKDONJSA-N 316.383 -0.896 30 20 DBED C[C@]1(c2cccc(C#N)c2)NC(=O)N(CC(=O)NCC#N)C1=O 728148707 SEDAJVCXJQLCMM-OAHLLOKOSA-N 311.301 -0.035 30 20 DBED N#CCNC(=O)COC(=O)c1ccc(N2CCOCC2)nc1 731241266 UTNQKOUEQOXENW-UHFFFAOYSA-N 304.306 -0.285 30 20 DBED C#CCNC(=O)CONC(=N)C1=C(N)C2(CCCC2)N(C)C1=O 747828703 ODKATKGFUNKATE-UHFFFAOYSA-N 319.365 -0.768 30 20 DBED C#CCC[C@H](O)CNC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C 799077091 YQGURFFYSKYWQA-WDEREUQCSA-N 304.412 -0.159 30 20 DBED COC(=O)COCC(=O)O[C@H](C(N)=O)c1ccc(C#N)cc1 803805142 OWLXZJJSHVXIBT-ZDUSSCGKSA-N 306.274 -0.183 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)NC2CN(C(=O)O)C2)cc1 831122985 YLVYHLAAPGCELY-UHFFFAOYSA-N 302.290 -0.234 30 20 DBED C#CC[C@H](NC(=O)c1cccc(S(=O)(=O)NC)c1)C(=O)OC 837929796 DGOSKMTYEFIIRN-LBPRGKRZSA-N 324.358 -0.111 30 20 DBED N#C[C@H]1CSCCN1C(=O)CCN1C(=O)CCNC1=S 847660253 MJIMJNRUTXNRTP-VIFPVBQESA-N 312.420 -0.049 30 20 DBED C#CCC[C@@H](O)CNS(=O)(=O)c1cccnc1C(=O)OC 849392065 ZYKOYRNBWFKYAA-SNVBAGLBSA-N 312.347 -0.079 30 20 DBED C#CC[C@H](CO)NC(=O)c1cc(C)c2c(O)nc(O)nc2n1 854545361 GYXINMHDYDWBHJ-MRVPVSSYSA-N 302.290 -0.142 30 20 DBED C=CCOCC(=O)N1CCN(C(=O)N2CCN(C)CC2)CC1 896235346 GDWKLOJYOVJWOU-UHFFFAOYSA-N 310.398 -0.299 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H]2CCCO2)C1 938170107 FEBWRMJYJAUIHU-KKUMJFAQSA-N 319.405 -0.020 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](NC(=O)c2cn(C)c(=O)n2C)C1 941115727 ZZQXIBJBUITOPW-NXEZZACHSA-N 305.338 -0.786 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C2CN(Cc3cnon3)C2)CC1 941347684 AGJUFKDWCUBBNN-NSHDSACASA-N 304.354 -0.442 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](NC(=O)c2ccc(C(N)=O)o2)C1 941803858 BAUPVQSBMGNILD-RKDXNWHRSA-N 304.306 -0.131 30 20 DBED COc1nn(C)cc1C(=O)N[C@@H]1CCN(C(=O)[C@H](C)C#N)C1 941986385 NAHGUVTXGNPDDJ-NXEZZACHSA-N 305.338 -0.081 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)c2cnc(O)n2C)C1 944704982 UQRWXOPYBNPNNC-ZJUUUORDSA-N 321.337 -0.757 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]1CNC(=O)c1c[nH]c(C(N)=O)c1 950095932 HZLJLYVHSHZNNT-WPRPVWTQSA-N 303.322 -0.396 30 20 DBED C[C@@H]1C[C@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)C(N)=O 955794490 GXDUGZFBGFOXIY-RKDXNWHRSA-N 303.322 -0.519 30 20 DBED COc1cc(O)ncc1C(=O)NC[C@H]1CN(CC#N)C[C@@H]1O 958413746 UDAZKTRHRYUUPO-ONGXEEELSA-N 306.322 -0.658 30 20 DBED C#CCN1C[C@H](CNC(=O)c2ccc(C(=O)NC)nc2)[C@@H](O)C1 958597486 DTHLETICXVLWKS-JSGCOSHPSA-N 316.361 -0.903 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2ccc(C(N)=O)cc2)C1 958662551 VHTAAPLXJLFYCH-ZIAGYGMSSA-N 301.346 -0.559 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2COCCN2C(=O)COC)cn1 964288452 VFNMYEROWYOILU-AWEZNQCLSA-N 317.345 -0.334 30 20 DBED Cc1n[nH]cc1C(=O)NC[C@@H]1COCCN1C(=O)[C@H](C)C#N 964291393 IZXNQPKJUDIWGA-MWLCHTKSSA-N 305.338 -0.165 30 20 DBED CCN(C(=O)c1cnn[nH]1)C1CN(C(=O)c2cc(C#N)c[nH]2)C1 968124701 IJTBSXMGZHOEJM-UHFFFAOYSA-N 313.321 -0.009 30 20 DBED O=C(C#CC1CC1)N1CC[C@@H](NCC(=O)N2CCOCC2)C1 968626873 GWCOXXMOQWOJLU-CQSZACIVSA-N 305.378 -0.551 30 20 DBED C[C@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)[C@@H]1CCC(=O)NC1)C2 969816831 FXQBLSIYVNTMFF-NDBYEHHHSA-N 318.377 -0.126 30 20 DBED C#CCN1CCC(C(=O)N[C@@H](C)C2CN([C@H](C)C(N)=O)C2)CC1 970921036 OMQVAMNSDUUOKG-QWHCGFSZSA-N 320.437 -0.358 30 20 DBED CN(Cc1nnn(C)n1)[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 971366061 IRZBIXBLUQYIOB-NSHDSACASA-N 314.353 -0.244 30 20 DBED CN(CC#N)[C@H]1CCN(C(=O)Cc2ccc(C(N)=O)nc2)C1 971790025 UPMSFAJKRQENMF-LBPRGKRZSA-N 301.350 -0.221 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)c3ccc(O)nn3)C2)C1 972233770 KQJPWQKJJHZTST-HNNXBMFYSA-N 302.334 -0.268 30 20 DBED N#Cc1cc(C(=O)NC[C@H]2CCCN(C(=O)C(N)=O)C2)c[nH]1 975212531 FYKRDMJTSGGDAC-SECBINFHSA-N 303.322 -0.660 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)C[C@H]3CCN(C)C3=O)[C@H]2C1 976683604 KSDVSEFKRFUIKF-SVPLCASGSA-N 318.377 -0.413 30 20 DBED CN(C[C@H]1CCN1C(=O)C#CC1CC1)C(=O)c1cn(C)nn1 977646253 ABIHNLTVEOROMF-GFCCVEGCSA-N 301.350 -0.099 30 20 DBED N#CCN1C[C@@H]2C(CNC(=O)[C@H]3CCc4nncn4C3)[C@H]2C1 979088989 NVDPJELMBZGRMW-CYZMBNFOSA-N 300.366 -0.342 30 20 DBED C#CCN1CCCN(C(=O)CN2CCCCS2(=O)=O)CC1 981626611 SYPFZTYJBCKJHP-UHFFFAOYSA-N 313.423 -0.421 30 20 DBED C[C@H]1[C@H](NCC#N)CCN1C(=O)c1cn(CC(=O)N(C)C)nn1 987573418 AXKGMPONUBZVMD-WDEREUQCSA-N 319.369 -0.918 30 20 DBED CC#CCN1CCCN(C(=O)c2nccnc2C(N)=O)CC1 989629947 QPDDLGLFCLKXGY-UHFFFAOYSA-N 301.350 -0.253 30 20 DBED Cn1nnnc1CNC1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 990790337 PWCFVBHNUPJNCF-UHFFFAOYSA-N 314.353 -0.196 30 20 DBED C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)c3nc[nH]n3)C[C@H]2O)C1 991773809 VXWMSVCVDZGBEX-WDEREUQCSA-N 319.365 -0.147 30 20 DBED C#CCN1CC[C@]2(NC(=O)[C@H]3CCS(=O)(=O)N3)CCC[C@@H]12 992489918 DFXZHRQPGRFHPC-YRGRVCCFSA-N 311.407 -0.576 30 20 DBED C#CCN1CCC(C(=O)NC2CN(C(=O)[C@H](C)OC)C2)CC1 993855335 OGFTZBNBEFBEJC-LBPRGKRZSA-N 307.394 -0.307 30 20 DBED C[C@H](C#N)C(=O)N1CC(NC(=O)[C@H]2CCc3nccn3C2)C1 994592633 KKSLQSJHXIVRAZ-MNOVXSKESA-N 301.350 -0.068 30 20 DBED C=C(Cl)CNC1CC(N(C)C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 999485237 AKOMMHFQLZTRQR-RTBKNWGFSA-N 314.773 -0.084 30 20 DBED C=CC(C)(C)C(=O)N1CC([C@H](C)NC(=O)[C@@H]2CNC(=O)N2)C1 1006740822 KVJDJGNDUAAGPG-ONGXEEELSA-N 308.382 -0.157 30 20 DBED N#Cc1c[nH]c(C(=O)N2CCN(C(=O)Cn3cncn3)CC2)c1 1010925431 OWBHUVFTOJUZNZ-UHFFFAOYSA-N 313.321 -0.538 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2C(NC(=O)CN3CCCNC3=O)[C@H]2C1 1013388478 XCBIHGFEZPYLIE-VWYCJHECSA-N 319.365 -0.866 30 20 DBED N#CCN1CCC2(CC1)C[C@H]2NC(=O)CN1C(=O)CCC1=O 1016964135 YWDQVERZHOWSKO-LLVKDONJSA-N 304.350 -0.370 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC2(CCN(C(=O)COC)C2)C1 1019142955 FXVHESYDXMNOEM-AWEZNQCLSA-N 319.405 -0.209 30 20 DBED O=C(Cc1cscn1)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1023749341 CPYBYLBKWBGIMW-CHWSQXEVSA-N 319.386 -0.213 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C[C@H]2O)C1 1025548795 PAHCPNCLSXSXLF-ITGHMWBKSA-N 320.389 -0.077 30 20 DBED CC#CCN1[C@H]2CC[C@H]1CN(C(=O)CC[C@@H]1NC(=O)NC1=O)C2 1029576233 BSBPUAXIANYKME-AVGNSLFASA-N 318.377 -0.327 30 20 DBED C=CCN1CC[C@H](N2CC(CNC(=O)[C@H]3CCC(=O)N3)C2)C1=O 1031585579 ZVNFCVOQXIYJQK-OLZOCXBDSA-N 320.393 -0.900 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCCCN(CC(=O)NC)C2)nn1 1034432448 QIAQREXVIHZJPN-LBPRGKRZSA-N 320.397 -0.206 30 20 DBED C#CCCN1CCO[C@H](CNC(=O)c2c[nH]c(C(N)=O)c2)C1 1035613267 IAFHKGSQDYVNOH-GFCCVEGCSA-N 304.350 -0.433 30 20 DBED C#CCCN1CC2(CCN(C(=O)C3CS(=O)(=O)C3)CC2)C1 1035714437 PYTDKTHXBJENLL-UHFFFAOYSA-N 310.419 -0.021 30 20 DBED N#Cc1cc(C(=O)NC[C@H]2CCN2CC(=O)N2CCC2)c[nH]1 1038173628 BFPABXWPHKCFBY-CYBMUJFWSA-N 301.350 -0.077 30 20 DBED C#CCN1CC[C@H]1CNC(=O)c1cccc(OCC(N)=O)c1 1038319799 BEAHCFBWMAXUHF-ZDUSSCGKSA-N 301.346 -0.012 30 20 DBED C#CCOCCC(=O)NC[C@]1(O)CCN(C(=O)COCC=C)C1 1039718925 JXWCQNDAGKVZAB-MRXNPFEDSA-N 324.377 -0.692 30 20 DBED Cc1c(C(=O)N2CC[C@](O)(CNC(=O)[C@H](C)C#N)C2)cnn1C 1040759862 DKTBLQOWYSBPSL-BMIGLBTASA-N 319.365 -0.419 30 20 DBED C[C@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)Cc2cncs2)C1 1040760586 OTESHRVZHUEECG-QMTHXVAHSA-N 322.390 -0.075 30 20 DBED N#Cc1cnccc1N1C[C@@H](O)[C@H](NC(=O)Cc2cc[nH]n2)C1 1040970990 WFSYUKMPDFCWOS-TZMCWYRMSA-N 312.333 -0.415 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCNC(=O)CC2)C1 1041970164 WRALLYZICSNAIZ-LBPRGKRZSA-N 323.393 -0.442 30 20 DBED O=C(NCC1(O)CN(C(=O)C#CC2CC2)C1)c1cncnc1 1042710728 YQQUPRBTZOSVAK-UHFFFAOYSA-N 300.318 -0.807 30 20 DBED N#Cc1ccc(C(=O)N2CC(O)(CNC(=O)[C@@H]3CC3(F)F)C2)[nH]1 1042909270 BTTSVNGOFKUCDR-VIFPVBQESA-N 324.287 -0.155 30 20 DBED CC[C@@H](C(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1)N(C)C 1042959036 UCJAWTHNHINWHO-ZDUSSCGKSA-N 307.394 -0.571 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2cncs2)C1 1043036168 LBZQVXUXEDNLGY-JTQLQIEISA-N 323.374 -0.516 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)[C@H]2CCCCO2)C1 1043039944 KVYKYMYDTYGGTN-CHWSQXEVSA-N 324.377 -0.717 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)[C@@H](F)CC)C1 1043040842 XYFZKDNGGKEBLN-NSHDSACASA-N 300.330 -0.536 30 20 DBED Cn1cncc1C(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@@H]1O 1044288936 JSUDLXHNBNUEIS-YPMHNXCESA-N 312.333 -0.334 30 20 DBED N#Cc1cccnc1N1C[C@H](O)[C@H](NC(=O)c2csnn2)C1 1044355046 QBQWTABCXJNVAX-KOLCDFICSA-N 316.346 -0.216 30 20 DBED CCOc1nc(C(=O)N2CC(O)(CNC(=O)[C@H](C)C#N)C2)co1 1045546625 OVQGBTXKTZNWKL-SECBINFHSA-N 322.321 -0.464 30 20 DBED N#CCN1CCC2(CC1)CO[C@H](CNC(=O)[C@@H]1CCNC1=O)C2 1045676662 HQZUZAATBPUIOX-QWHCGFSZSA-N 320.393 -0.367 30 20 DBED C#CCN1[C@H]2CC[C@H]1CN(C(=O)c1cn(CC(N)=O)nn1)CC2 1045896459 PNZULUFZGYSFGS-RYUDHWBXSA-N 316.365 -0.925 30 20 DBED CC(C)C#CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CNC(N)=O)C2 1047513279 HKTQPQGWRKAHGU-AVGNSLFASA-N 320.393 -0.190 30 20 DBED C#CCCCC(=O)N(C)[C@H]1CN(C(=O)Cc2nc[nH]n2)C[C@@H]1O 1048757832 POCINYPXMJDLMX-RYUDHWBXSA-N 319.365 -0.819 30 20 DBED C#CCOCCC(=O)N(C)[C@H]1CN(C(=O)c2ccoc2)C[C@@H]1O 1048844103 DDEWQSIJHJYSDA-KBPBESRZSA-N 320.345 -0.037 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCC[C@H]2[C@@H]1CCN2CC(N)=O 1049529531 OMXXQEMQOWFHQB-KKUMJFAQSA-N 318.421 -0.365 30 20 DBED CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1ncn(C)c1=O 1049562270 VJMJFWSVHOMZSJ-ZIAGYGMSSA-N 317.393 -0.330 30 20 DBED C#CCCN1CCOC[C@H]1CNC(=O)[C@H]1CC(=O)N(CC)C1 1050945008 HQTLOYBYCKUALH-UONOGXRCSA-N 307.394 -0.305 30 20 DBED C=CCN1CCOC[C@H]1CNC(=O)c1ccnc2[nH]nnc12 1051018901 YQXPMFUAUQGGON-SNVBAGLBSA-N 302.338 -0.031 30 20 DBED C=CCn1cc(C(=O)N2CCOC3(CN(CCCO)C3)C2)nn1 1053463476 GCABNYHKJCOVGC-UHFFFAOYSA-N 321.381 -0.627 30 20 DBED C#CCN1CC2(CC[C@H](CNC(=O)c3cnn(CC)n3)O2)C1 1053596319 QFCLLBZGVCPOKV-GFCCVEGCSA-N 303.366 -0.106 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)[C@H]3CCNC(=O)C3)CO2)C1 1053774864 LGAAXSGCXACDDB-QWHCGFSZSA-N 305.378 -0.505 30 20 DBED C=CCCC(=O)N1CCC[C@](CO)(NC(=O)c2cnn[nH]2)C1 1056002569 QEOVYALBGISTDG-AWEZNQCLSA-N 307.354 -0.146 30 20 DBED C[C@@H](C#N)C(=O)N[C@@]1(CO)CCCN(C(=O)c2cnns2)C1 1056092849 FFAXAGUSASFJCK-ZANVPECISA-N 323.378 -0.219 30 20 DBED Cc1ncc(C(=O)N2CCC[C@](CO)(NC(=O)[C@H](C)C#N)C2)[nH]1 1056094906 YMDGUVYVELYCAN-BMIGLBTASA-N 319.365 -0.039 30 20 DBED N#Cc1ccc(N2C[C@H]3C(NC(=O)Cn4cncn4)[C@@H]3C2)nn1 1056215330 DEQSCSKYXKVEAP-GHMZBOCLSA-N 310.321 -0.809 30 20 DBED Cn1ncc(C(=O)NC2[C@@H]3CN(c4cnc(C#N)cn4)C[C@@H]23)n1 1056257915 VFORGESDTYACKG-NXEZZACHSA-N 310.321 -0.659 30 20 DBED Cn1ncc(C(=O)NC2[C@@H]3CN(c4ccncc4C#N)C[C@@H]23)n1 1056258409 XTSKWYKSSSQBFS-GHMZBOCLSA-N 309.333 -0.054 30 20 DBED N#Cc1cccnc1N1C[C@H]2[C@H](NC(=O)c3c[nH]c(=O)cn3)[C@H]2C1 1056388966 IRNAMAKAZKWTBO-YABSGUDNSA-N 322.328 -0.099 30 20 DBED C#CCO[C@H](C)C(=O)NCCN(CCO)C(=O)c1cccnc1 1056808054 JWSSLGJJTYJNBO-CYBMUJFWSA-N 319.361 -0.329 30 20 DBED CN(c1ccc(C#N)nn1)[C@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1 1056872866 BASKZBWOTHPWJX-NWDGAFQWSA-N 314.349 -0.336 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)C1(COC)CC1 1057198888 BQTBUADPGFCSRO-UHFFFAOYSA-N 314.382 -0.447 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)C[C@H]1CCCOC1 1057649124 UMMKYCGNMUSGMX-CHWSQXEVSA-N 311.382 -0.100 30 20 DBED N#Cc1nccc(N2CC[C@H](NC(=O)CN3CCOCC3)C2)n1 1058324359 HNHRCQFIODZTGZ-LBPRGKRZSA-N 316.365 -0.625 30 20 DBED CC(=O)N1CC(C(=O)N[C@H]2CCN(c3cnc(C#N)cn3)C2)C1 1058336223 QNQHAVSICFVNDX-LBPRGKRZSA-N 314.349 -0.479 30 20 DBED N#Cc1cccnc1N1CC[C@H](NC(=O)[C@H]2COC(=O)N2)C1 1058350062 CLKOEHFWMOCQOE-WDEREUQCSA-N 301.306 -0.243 30 20 DBED Cc1cc(C#N)nc(N2C[C@@H]3CC[C@H](C2)N3C(=O)CC(N)=O)n1 1058740009 LUNFPIPYSGJPLK-TXEJJXNPSA-N 314.349 -0.288 30 20 DBED CS(=O)(=O)CC(=O)N1CC[C@H](Nc2nccnc2C#N)C1 1058847581 JSXHBXVKFQXZNH-VIFPVBQESA-N 309.351 -0.594 30 20 DBED C[C@@H](C#N)C(=O)NCC[C@@H]1CCN(C(=O)CS(C)(=O)=O)C1 1059272057 OHKSBUGNRRGUFZ-WDEREUQCSA-N 315.395 -0.455 30 20 DBED C=CCOCC(=O)N1CC[C@H](CCNC(=O)CNC(N)=O)C1 1059335106 MOQYCAPZLGZFLW-NSHDSACASA-N 312.370 -0.788 30 20 DBED N#Cc1ccc(N[C@H]2C[C@@H](NC(=O)[C@@H]3CCC(=O)N3)C2)nn1 1059684092 ZISVYDPWFUPVJL-AXFHLTTASA-N 300.322 -0.314 30 20 DBED C#CCCCC(=O)NC[C@H]1COCCN1C(=O)[C@H]1COC(=O)N1 1061540396 JYWZOVIVIUQODY-NWDGAFQWSA-N 323.349 -0.758 30 20 DBED CC(C)C#CC(=O)N1CCOC[C@H]1CNC(=O)c1cnnn1C 1061545682 CGDMFCGYGOXIDM-GFCCVEGCSA-N 319.365 -0.568 30 20 DBED C=CCO[C@H](C)C(=O)NC[C@@H]1COCCN1C(=O)c1cc[nH]n1 1061667423 FIHKWKAEGTUMMT-VXGBXAGGSA-N 322.365 -0.042 30 20 DBED CC(C)C#CC(=O)NCC1(NC(=O)[C@H]2CCNC2=O)CCC1 1062964687 IYTBZOBQVIJTBT-LBPRGKRZSA-N 305.378 -0.063 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(NC(=O)CCCC(N)=O)CCC1 1063046385 LIVWEDNBYCMWNE-GFCCVEGCSA-N 323.393 -0.165 30 20 DBED N#Cc1nc(=NC[C@H]2CCCN2C(=O)Cn2nccn2)cc[nH]1 1063522673 KKQXPQIWSQDDNA-LLVKDONJSA-N 312.337 -0.535 30 20 DBED CC#CCCCC(=O)NC[C@H]1CN(C(=O)CNC(N)=O)CCO1 1064839312 BBYQJVFUNAATQD-LBPRGKRZSA-N 324.381 -0.808 30 20 DBED C#CCNC(=O)CC(=O)N1CCO[C@@H](CNC(=O)C=C(C)C)C1 1065063457 FIIWJXGQXMTZGH-ZDUSSCGKSA-N 321.377 -0.564 30 20 DBED C=CCCCC(=O)N1CCO[C@@H](CNC(=O)c2nnn(C)n2)C1 1065546648 ZJQHRDMKXCQXDL-NSHDSACASA-N 322.369 -0.476 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(C[C@@H](NC(=O)CC(=O)N(C)C)CO2)C1 1068873966 INXBLPWTSCWDIP-WDEREUQCSA-N 322.365 -0.890 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1COC2(C1)CN(C(=O)Cn1ccnc1)C2 1069007310 DMVUVGOEDRHUEX-RYUDHWBXSA-N 317.349 -0.471 30 20 DBED Cc1cc(=NC[C@@H]2CC[C@H](NC(=O)C(N)=O)C2)c(C#N)c[nH]1 1069505698 QIIFDMIHGNEOTQ-PWSUYJOCSA-N 301.350 -0.134 30 20 DBED C#CCOCCC(=O)N1CCC[C@@]2(CCN(C(=O)C(N)=O)C2)C1 1069750900 MTXKIYDCFQAXSV-MRXNPFEDSA-N 321.377 -0.647 30 20 DBED Cc1nnccc1C(=O)N1CCC(=O)NCCN(CC#N)CC1 1070977993 UWVKFPBLGPAWIR-UHFFFAOYSA-N 316.365 -0.427 30 20 DBED CC#CCN1CC[C@]2(C1)CN(C(=O)c1nnn(C)n1)C[C@H](C)O2 1071199368 LBWGJQOHHOBTPP-WFASDCNBSA-N 318.381 -0.461 30 20 DBED C#CCCN1C[C@@H](NC(=O)Cn2c(O)nnc2O)CC[C@@H]1C 1072026301 GPDBZOQPLIWULN-QWRGUYRKSA-N 307.354 -0.318 30 20 DBED C#CCOCCC(=O)N1C[C@@H](NC(=O)Cn2cccn2)[C@H](C)C1 1072096954 GLCPGTOZQAYPOJ-ZIAGYGMSSA-N 318.377 -0.114 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCN([C@@H](C)c3nnnn3C)C2)C1 1072553026 VOGRWZTUNFVNGY-QWRGUYRKSA-N 303.370 -0.035 30 20 DBED C=CCN1CCC2(C1)CN(C(=O)c1cc(=O)n3[nH]cnc3n1)C2 1073124602 VBGLGOFJLCMKRX-UHFFFAOYSA-N 314.349 -0.249 30 20 DBED C=CC(C)(C)CC(=O)N1CCN(C2CN(C(=O)C(N)=O)C2)CC1 1073574925 KXOXZXFRKQJCSR-UHFFFAOYSA-N 322.409 -0.571 30 20 DBED C=CCOCCCC(=O)N[C@@H]1CCN(C(=O)C(N)=O)C[C@H]1C 1073856183 ZPCMWXOXYMMYRH-VXGBXAGGSA-N 311.382 -0.192 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)CCc3cnn(C)n3)C[C@H]21 1074339411 UAAMVTNPIMNFQL-CABCVRRESA-N 317.393 -0.317 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)[C@@H](OC)C1CC1 1076219226 YYDIDNKVKGOWFH-NHYWBVRUSA-N 323.393 -0.438 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H](C)CCNC(=O)Cc1n[nH]c(C)n1 1076435510 UTKZOIPZXBIPHP-ZUZCIYMTSA-N 323.397 -0.006 30 20 DBED C=CCN1C[C@@H]2CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)[C@@H]2C1 1076458641 FCMCLOMDKZDSGF-CMPLNLGQSA-N 314.349 -0.250 30 20 DBED CNC(=O)C1(C(=O)NCC[C@H](C)NC(=O)C#CC2CC2)CC1 1077338877 IFRWIAHIGONBQN-NSHDSACASA-N 305.378 -0.063 30 20 DBED C[C@@H](CCNC(=O)c1cnn(C)n1)NC(=O)c1c[nH]c(C#N)c1 1077384236 QEPIGROKODEKKS-VIFPVBQESA-N 315.337 -0.047 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(C[C@H](C)OC)C[C@H]2O)nc1 1078030125 JILQCIJNUNHHJW-NILFDRSVSA-N 303.362 -0.127 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2COc3ccccc3O2)C1 1078123079 BWINPQIWZSGGDA-JMSVASOKSA-N 302.330 -0.379 30 20 DBED C=CCOCC(=O)N(CC)C1CN(C(=O)[C@@H]2CN(C)C(=O)N2)C1 1079493810 HYWIXUHIMIOTOJ-LBPRGKRZSA-N 324.381 -0.728 30 20 DBED C[C@H](C#N)C(=O)NC1(CO)CCN(C(=O)c2ncccn2)CC1 1080981660 JRIWJTLZJFBINJ-LLVKDONJSA-N 317.349 -0.280 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)Cc2nonc2C)C[C@@H]1O 1081335674 NRSYMBSZTCFYQT-YPMHNXCESA-N 322.365 -0.178 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)CSC)C[C@H]1O 1081343703 GCTGIAVCPSPAKP-WDEREUQCSA-N 302.396 -0.513 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)C2CN(C(C)=O)C2)C1 1081436848 PCPJVEZXCVQTAT-TZMCWYRMSA-N 323.393 -0.634 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(C(=O)/C(C)=C/C)C[C@@H]1O 1081488437 IFSFRRJCQMTTNM-KYYFYTAESA-N 308.378 -0.072 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C(C)(C)C(N)=O)C1 1081557754 ALLJITAXVZCKTJ-WDEREUQCSA-N 311.382 -0.600 30 20 DBED C=CCCn1cc(C(=O)N2C[C@@H](N[C@@H](C)C(N)=O)[C@H](C)C2)nn1 1082796599 CPNGDIDJCCQOJM-GRYCIOLGSA-N 320.397 -0.222 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H]2CN(CC(=O)N3CCC3)C[C@@H]21 1083025752 AEASFYZRGFFLFK-RWMBFGLXSA-N 306.366 -0.710 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2c[nH]c3ccncc3c2=O)C1 1083495697 MCJUMERVAHZCKO-KGLIPLIRSA-N 312.329 -0.669 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2nc[nH]c2C(F)(F)F)C1 1083525367 NEWHTUBNIJACHJ-SFYZADRCSA-N 302.256 -0.163 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2cnn(CC(F)(F)F)c2)C1 1083527294 LUEWHLRVPQHQDA-MNOVXSKESA-N 316.283 -0.147 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(Cc2cnsn2)C[C@@H]1O 1083789955 GXEOMQQGVGEZED-NDBYEHHHSA-N 324.406 -0.210 30 20 DBED CC(=O)N1CCOC[C@H]1C(=O)NC[C@H]1CC[C@@H](NCC#N)C1 1086878801 FNKYOOMSYPQFHO-MJBXVCDLSA-N 308.382 -0.368 30 20 DBED CC#CCN1CC[C@@H](NC(=O)Cn2cccc(C)c2=O)[C@H](O)C1 1090267209 ZWUNOKZHQOKCGE-HUUCEWRRSA-N 317.389 -0.269 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2ccc(=O)n(C)c2)[C@H](O)C1 1090392768 VINROMAERNBCIN-UONOGXRCSA-N 303.362 -0.426 30 20 DBED CC(C)OCCC(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1O 1090397195 MMUSONPANNZIGY-CHWSQXEVSA-N 319.365 -0.171 30 20 DBED Cc1cnc2c(C(=O)N[C@@H]3CCN(CC#N)C[C@@H]3O)cnn2c1 1090612452 NELSBWVYBCDPGI-OLZOCXBDSA-N 314.349 -0.274 30 20 DBED C=CCN1CC[C@@H](NC(=O)Cc2nc3ncccn3n2)[C@@H](O)C1 1090808940 QLQNJGGXIHDECT-NEPJUHHUSA-N 316.365 -0.596 30 20 DBED Cc1cc(C#N)nc(N2C[C@@H](C)[C@H](CNC(=O)C(N)=O)C2)n1 1092442364 NRIAUKSLKUTDPY-PSASIEDQSA-N 302.338 -0.670 30 20 DBED C#CCN1CC(OC2CCN(C(=O)[C@]3(C)CNC(=O)C3)CC2)C1 1093556621 ZYLDAPGMMQEFGZ-KRWDZBQOSA-N 319.405 -0.162 30 20 DBED Cc1cc(=NCCNC(=O)[C@H]2CCCS2(=O)=O)c(C#N)c[nH]1 1093670305 VTMOGUCAPWKHJL-CYBMUJFWSA-N 322.390 -0.211 30 20 DBED CN1CC[C@H](C(=O)NCCCNc2nccnc2C#N)C1=O 1094704541 AQPDRYKMLQVZCA-SNVBAGLBSA-N 302.338 -0.255 30 20 DBED CCOC1CC(C(=O)N[C@H]2CC(=O)N(C3CN(CC#N)C3)C2)C1 1094729514 FYTVQIXLDIFUBY-LXVYMNJGSA-N 320.393 -0.274 30 20 DBED CN(C)CCOCC(=O)N[C@@H]1CCN(c2nccnc2C#N)C1 1096401448 VBFJUWPHTQRVQZ-GFCCVEGCSA-N 318.381 -0.379 30 20 DBED C[C@@H](CC(=O)N[C@H]1C[C@@H](N=c2cc[nH]c(C#N)n2)C1)NC(N)=O 1097225481 YKFIQIUNJBURHA-LPEHRKFASA-N 317.353 -0.724 30 20 DBED Cc1cc(=N[C@@H](C)CNC(=O)Cn2ncnn2)c(C#N)c[nH]1 1098084451 LDBZBVIPJOQVBT-JTQLQIEISA-N 300.326 -0.713 30 20 DBED C[C@H](CNC(=O)[C@@]1(C)CCC(=O)NC1)N=c1cc[nH]c(C#N)n1 1098228651 JGQRODHUBCLHJD-BMIGLBTASA-N 316.365 -0.397 30 20 DBED CC#CCN(CCO)C1CCN(C(=O)[C@@H](C)CC(N)=O)CC1 1098447567 OMMVTJOEGCJPQL-ZDUSSCGKSA-N 309.410 -0.194 30 20 DBED CC(=O)N1CC(C(=O)N2C[C@@H](NCC#N)[C@H](C(F)(F)F)C2)C1 1099243940 QVCYKKBSZCWSBE-GHMZBOCLSA-N 318.299 -0.033 30 20 DBED N#CCN[C@@H]1CN(C(=O)[C@H]2CCNC2=O)C[C@H]1C(F)(F)F 1099288834 CBGXXVJLNWVBJJ-DJLDLDEBSA-N 304.272 -0.375 30 20 DBED N#CCNC(=O)CN1CC[C@@H](NC(=O)CC2CCC2)[C@H](O)C1 1099755764 RMZLXBZMKVBMIR-CHWSQXEVSA-N 308.382 -0.632 30 20 DBED Cc1noc(CN2CC[C@@H](NC(=O)C#CC3CC3)[C@@H](O)C2)n1 1099812183 CBRCMOXIKLNHAW-OLZOCXBDSA-N 304.350 -0.157 30 20 DBED CN(CCNC(=O)CCn1cncn1)c1cnc(C#N)cn1 1099934376 OHVXIORDKPRBQQ-UHFFFAOYSA-N 300.326 -0.418 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2n[nH]cc2F)[C@@H](O)C1 1099991680 OMXKYXDEXNCHHM-NEPJUHHUSA-N 310.329 -0.636 30 20 DBED N#CCN1CC[C@H](NC(=O)CCc2nc(C3CC3)no2)[C@@H](O)C1 1100027707 VVSZXNRHWHEBEA-RYUDHWBXSA-N 319.365 -0.045 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)CCC2(C)CC2)[C@H](O)C1 1100060859 ZEGSDUVDRCHNGS-UONOGXRCSA-N 321.421 -0.133 30 20 DBED CCN(CCNC(=O)[C@@H]1CC(=O)N(C)C1)c1ccc(C#N)nn1 1100749212 QCQQKIKPFJVQRZ-LLVKDONJSA-N 316.365 -0.231 30 20 DBED CC(=O)NCC(=O)NCCN(c1ccc(C#N)nn1)C1CC1 1101278974 JWHAGAHRWRUHMS-UHFFFAOYSA-N 302.338 -0.431 30 20 DBED C=CCNC(=O)CN1CC2(C[C@H](NC(C)=O)c3nccn32)C1 1101602513 IYQZNRHAFWRGEI-LBPRGKRZSA-N 303.366 -0.223 30 20 DBED Cc1cc(C#N)nc(NCCN(C)C(=O)[C@@H]2CCC(=O)N2)n1 1101703675 VBASBIYPKBELSS-NSHDSACASA-N 302.338 -0.194 30 20 DBED COCC#CCN1C[C@@H](C)[C@H](CCNC(=O)Cn2cnnn2)C1 1102656934 ULRALFQBMZOZMQ-ZIAGYGMSSA-N 320.397 -0.603 30 20 DBED CCC(=O)N[C@@H](C)C(=O)N(C)[C@H](C)CN=c1cc[nH]c(C#N)n1 1104852779 KILWSYGNNYPPEX-MNOVXSKESA-N 318.381 -0.056 30 20 DBED N#CCNCc1cn(C2CN(C(=O)c3cccc(O)n3)C2)nn1 1105201973 ABEUIVYHIFJRIA-UHFFFAOYSA-N 313.321 -0.311 30 20 DBED CCc1n[nH]cc1C(=O)N1CC(n2cc(CNCC#N)nn2)C1 1105275238 HSDWVPJDFNYTTE-UHFFFAOYSA-N 314.353 -0.126 30 20 DBED CN(CCN(C)c1ccc(C#N)nn1)C(=O)[C@H]1CC[C@H]1C(N)=O 1105521398 ITBGMKKCMQUKJT-NEPJUHHUSA-N 316.365 -0.246 30 20 DBED N#Cc1cccnc1NC[C@@H](O)CNC(=O)CCn1ccnn1 1105794691 JPZRSHOEPQLLEC-LBPRGKRZSA-N 315.337 -0.476 30 20 DBED Cn1ncc(C(=O)NC[C@@H](O)CNc2ncccc2C#N)c1N 1105800595 UYNRJKYNFIQNBC-JTQLQIEISA-N 315.337 -0.528 30 20 DBED Cc1ccc(CC(=O)NC[C@H](O)CN=c2cc[nH]c(C#N)n2)o1 1105826304 CFFUSJGOKXEMHP-LLVKDONJSA-N 315.333 -0.197 30 20 DBED Cc1ncn(C)c1C(=O)NC[C@H](O)CNc1nccnc1C#N 1105998732 FKAZAIOGBREXDK-SNVBAGLBSA-N 315.337 -0.407 30 20 DBED Cc1cc(C(=O)NC[C@H](O)CN=c2cc[nH]c(C#N)n2)c(C)[nH]1 1106128815 VJTCVPVJTABXDH-LLVKDONJSA-N 314.349 -0.082 30 20 DBED CNC(=O)NCCC(=O)N[C@@H](C)CNc1cncc(C#N)n1 1108362622 QZHWVPIEEXANIR-VIFPVBQESA-N 305.342 -0.416 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)CNC(=O)C(C)(C)C 1108380640 DPGDKMIPLZQUEE-JTQLQIEISA-N 318.381 -0.151 30 20 DBED C#CCCN1CC(N2C[C@H](NC(=O)CN(CC)CC)CC2=O)C1 1108581065 HBSIBZDEMVWRMJ-CQSZACIVSA-N 320.437 -0.247 30 20 DBED CN(CCCNc1ncccc1C#N)C(=O)[C@@H]1CNC(=O)N1 1109598800 NMUJRLPVHASVGA-NSHDSACASA-N 302.338 -0.105 30 20 DBED CC(C)(C(N)=O)C(=O)N[C@@H]1[C@H]2C[C@H]1N(c1ccc(C#N)nn1)C2 1109728248 KRNKSRHNSBSSEW-MKPLZMMCSA-N 314.349 -0.447 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN1CCCC1 1110102141 UWICSKHBIQSWPS-ILXRZTDVSA-N 318.421 -0.447 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1111176492 JXLAPGVUZWULED-VWYCJHECSA-N 300.322 -0.484 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(c2nccc(OC)n2)C[C@H]1O 1112701914 MABCSGSJVDXKIL-NWDGAFQWSA-N 322.365 -0.399 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 1112964920 CIECCJBAWAKLQO-ZFWWWQNUSA-N 320.437 -0.391 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)C2CCN(C)CC2)CC1 1113292379 WBMDAGGJKUFTPI-AWEZNQCLSA-N 320.437 -0.390 30 20 DBED C[C@@H](CNC(=O)Cn1cncn1)N(C)c1nccnc1C#N 1113609956 ZSYAJTSQXVQANS-JTQLQIEISA-N 300.326 -0.419 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)C[C@H]2CCCOC2)CC1 1113637101 LBJAQXXVYFVBPQ-CYBMUJFWSA-N 308.382 -0.413 30 20 DBED C=CCN1CC[C@@H](N2CCN(C(=O)CCCC(N)=O)CC2)C1=O 1113731471 KYSDJUTXHVHNDS-CYBMUJFWSA-N 322.409 -0.427 30 20 DBED C[C@H](CNC(=O)c1nnn(C)n1)N(C)c1ccncc1C#N 1113814769 LISCEZXGFICJTE-SECBINFHSA-N 300.326 -0.269 30 20 DBED CNC(=O)NCC(=O)NC[C@H](C)N(C)c1nc(C)cc(C#N)n1 1113938466 IVRWTXVTRATHNH-JTQLQIEISA-N 319.369 -0.473 30 20 DBED CC[C@H](C)OCC(=O)NC1[C@H]2CN(CC(=O)NCC#N)C[C@H]12 1114152856 FOQCKRICNMFOKM-SRVKXCTJSA-N 308.382 -0.512 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@H]2CN(Cc3ccon3)C[C@H]12 1114157393 DTABDXNRQUTOJY-RYUDHWBXSA-N 302.334 -0.640 30 20 DBED CNC(=O)CC(=O)NC[C@H]1[C@@H]2CN(c3ccc(C#N)cn3)C[C@H]12 1114530943 STBFEIXVVYYNGA-XYYAHUGASA-N 313.361 -0.112 30 20 DBED C=C(Cl)CN1C[C@H]2C(NC(=O)CCCS(N)(=O)=O)[C@@H]2C1 1114754579 DOEATLMJJIGTPI-NXEZZACHSA-N 321.830 -0.146 30 20 DBED C=CCN1CC[C@H](N2C[C@H]3C(NC(=O)CCN(C)C)[C@@H]3C2)C1=O 1114778122 FPPOAVYKZBBXLN-MCIONIFRSA-N 320.437 -0.229 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1[C@H]2CN(CC(=O)NCC#N)C[C@H]12 1114857887 YLQUYUXYDASFOF-VOAKCMCISA-N 318.377 -0.736 30 20 DBED CNC(=O)C1(C(=O)NC2[C@H]3CN(CC#CCOC)C[C@H]23)CC1 1114972550 NRIJGMGUJRXSFS-RYUDHWBXSA-N 305.378 -0.791 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2[C@@H]3CN(C[C@H](O)COC)C[C@@H]32)cn1 1115140318 VOKJBFKWKYNBNQ-CAOSSQGBSA-N 315.373 -0.270 30 20 DBED C=C(C)CN1C[C@H]2C(NC(=O)CC[C@@H]3NC(=O)NC3=O)[C@@H]2C1 1115217625 YSABYQDVPJFWIG-MXWKQRLJSA-N 306.366 -0.403 30 20 DBED C[C@@H](CN(C)C(=O)[C@H]1CCC(=O)N1)N=c1cc[nH]cc1C#N 1115656178 CDYFHLANIMTHFC-GXFFZTMASA-N 301.350 -0.087 30 20 DBED N#CCN1CCC(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 1116004409 DRONFKNMMVNJFF-UHFFFAOYSA-N 319.321 -0.139 30 20 DBED N#C[C@]1(F)CCN(C(=O)C(=O)N[C@@H]2CCN(CC(F)F)C2)C1 1118117683 LFPTVCXTEWKTON-NOZJJQNGSA-N 318.299 -0.094 30 20 DBED C=CCNC(=O)CNC(=O)N1CCC(N2CCN(C)CC2)CC1 1119038320 YWMZJNWUKJNESX-UHFFFAOYSA-N 323.441 -0.290 30 20 DBED CNC(=O)CC(=O)N1CC[C@H](Nc2nccnc2C#N)[C@H]1C 1122971241 NEXOMKFYWCYXRQ-ZJUUUORDSA-N 302.338 -0.114 30 20 DBED CN(C[C@H](O)CNc1ccc(C#N)nn1)C(=O)CC(C)(C)O 1124290285 PCJBZTWSRXVNFK-LLVKDONJSA-N 307.354 -0.260 30 20 DBED CN(C[C@H](O)CNc1ncccc1C#N)C(=O)C(C)(C)C(N)=O 1124553645 AOVSTVYRPZFWFZ-LLVKDONJSA-N 319.365 -0.304 30 20 DBED C#CCNC(=O)CC(=O)NCCNCc1ccc(CO)cc1 1125981745 IRAAGNBZSASEDL-UHFFFAOYSA-N 303.362 -0.476 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)c1cn2c(n1)CCC2 1127647962 CMGOSTHDSAJFLM-NSHDSACASA-N 305.382 -0.161 30 20 DBED C#CCNC(=O)CN1CCn2ncc(CNC(=O)CC)c2C1 1128141781 FPKFHLWCOXETEH-UHFFFAOYSA-N 303.366 -0.526 30 20 DBED C=CCN[C@@H]1CN(C(=O)CNC(=O)OC)C[C@@H]1n1ccnn1 1129633547 OOIHPDGZLPAOIC-MNOVXSKESA-N 308.342 -0.838 30 20 DBED C#CCNC(=O)CNCCNC(=O)CCc1cncc(OC)c1 1131111935 HALWJROSBPANPU-UHFFFAOYSA-N 318.377 -0.522 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)[C@@]1(C)CNC(=O)C1 1131681272 YNOUSTFBVVULKW-MRXNPFEDSA-N 322.409 -0.581 30 20 DBED COCCC(=O)N1CCC[C@@H](N2CCN(CC#N)CC2=O)C1 1131704162 RKWCUXMALUOIBE-CYBMUJFWSA-N 308.382 -0.318 30 20 DBED CC#CCN1C[C@@H](NC(=O)CNS(=O)(=O)CC)CC[C@@H]1C 1132077433 HLHYCDMWCWQNGH-STQMWFEESA-N 315.439 -0.082 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)CN1CCCC1=O 1133636035 BGWPFPJQYRJBMZ-QWHCGFSZSA-N 322.409 -0.769 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)c1ccc(C(N)=O)[nH]1 1133952475 DJNATOSEBJVCNN-VIFPVBQESA-N 307.354 -0.876 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1c(CC)ncnc1CC 1133985926 QEVPAIMZOQVGAC-UHFFFAOYSA-N 317.393 -0.330 30 20 DBED Cc1cc(CC(=O)N[C@H](C)C[C@@H](C)NCC(=O)NCC#N)n[nH]1 1134055625 KRVRNMUOMXHQFK-GHMZBOCLSA-N 320.397 -0.227 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)c1cncnc1 1134153100 VMLDFPPVEBXDFV-RYUDHWBXSA-N 303.366 -0.288 30 20 DBED C#CCOCCC(=O)N[C@@H](C)C[C@@H](C)NCc1nnn(C)n1 1134352891 UKCXGTCKPVWCFD-NEPJUHHUSA-N 308.386 -0.377 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@H](C)c1c(C)n[nH]c1C 1135432673 NTCVZXOFMCKJDP-ZWNOBZJWSA-N 319.409 -0.026 30 20 DBED C[C@@H](C[C@H](C)NC(=O)CCn1cc[nH]c(=O)c1=O)NCC#N 1135688074 ZVUSVIRHNWBLAF-QWRGUYRKSA-N 307.354 -0.677 30 20 DBED COCC#CCN[C@@H](C)C[C@H](C)NC(=O)c1cn(C)c(=O)n1C 1146673310 XPIGYIAWQFGMNQ-STQMWFEESA-N 322.409 -0.140 30 20 DBED C#CCNC(=O)CN1CCCO[C@H](CNC(=O)c2ccc[nH]2)C1 1149139288 YZDIMPONWXGHAE-CYBMUJFWSA-N 318.377 -0.415 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN([C@@H](C)C(=O)NC)CCCO1 1149384749 WTZLDIUVPWNIBP-QWHCGFSZSA-N 313.398 -0.469 30 20 DBED C[C@@H]1C[C@H]1C(=O)NC[C@@H]1CN(CC(=O)NCC#N)CCCO1 1150091430 MLIVBRFBXWSKHN-JHJVBQTASA-N 308.382 -0.511 30 20 DBED CC#CCN1CCCO[C@@H](CNC(=O)[C@]2(C)CCNC2=O)C1 1150318533 QZGDAQDDZKVYAZ-XJKSGUPXSA-N 307.394 -0.257 30 20 DBED CCN(CC(=O)NCCNCC(=O)NCC#N)c1ccccc1 1152121253 QHOKHLWGWUOULW-UHFFFAOYSA-N 317.393 -0.142 30 20 DBED C#CCN1CCC(C(=O)NCCNCC(=O)N[C@H](C)CC)CC1 1152335045 XPAMRJLCSXPXJT-CQSZACIVSA-N 322.453 -0.048 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)[C@@H]1CC(=O)N(CC)C1 1159276110 JOQHICKTPFMYST-CHWSQXEVSA-N 324.425 -0.359 30 20 DBED C#CCNC(=O)[C@H](C)N1CC=C(CCNC(=O)CC(N)=O)CC1 1159646651 JXTPLCCQWAEOBW-LBPRGKRZSA-N 320.393 -0.862 30 20 DBED COCC1(CNC(=O)[C@H](C)C#N)CCN([C@@H](C)C(N)=O)CC1 1162165825 ONMMLXSJVJNDTN-NEPJUHHUSA-N 310.398 -0.135 30 20 DBED C#CCNC(=O)CNCCCNC(=O)Cc1cc(CC)nn1C 1162962314 VRGMDVAYQPDBCW-UHFFFAOYSA-N 319.409 -0.630 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)C3(C(=O)N(C)C)CC3)C[C@@H]21 1177132851 WMDIITCASUKGIS-UONOGXRCSA-N 319.405 -0.210 30 20 DBED Cc1nn(C)cc1CC(=O)N1CC[C@@H](NCC(=O)NCC#N)C1 1183317617 PYYMMFQFRICAAK-CYBMUJFWSA-N 318.381 -0.899 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 1184877113 RMNXLKQBNBEIFM-MGPQQGTHSA-N 308.426 -0.038 30 20 DBED C[C@H]1CN(C(=O)COCc2nncn2C)CC[C@H]1CNCC#N 1185423697 OAPVOSXNKQBYFB-STQMWFEESA-N 320.397 -0.071 30 20 DBED N#CCNC[C@@H]1CN(C(=O)c2nc[nH]n2)CC12CCOCC2 1186521707 KDWSYZGSONQPGS-LLVKDONJSA-N 304.354 -0.213 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2cncnc2CC)C1 1187871056 FWCKMBHMBJZQMK-GFCCVEGCSA-N 315.377 -0.408 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)C[C@@H]2CCCO2)C1 1189011786 GFWMZRCUYPWYIR-KBPBESRZSA-N 307.394 -0.162 30 20 DBED CN(CC(=O)NCC#N)[C@H]1CCN(C(=O)Cc2cccnc2)C1 1189651946 LSTZTTUBJGRENL-AWEZNQCLSA-N 315.377 -0.203 30 20 DBED C#CCCN(C)[C@@H]1CCN(C(=O)CNS(=O)(=O)CC)C1 1190463307 SSJOQRDLCNKPAN-GFCCVEGCSA-N 301.412 -0.518 30 20 DBED CN(CC#N)[C@@H]1CCN(C(=O)CNC(=O)c2ccccn2)C1 1194216586 BVWYFTZRMQWUTO-GFCCVEGCSA-N 301.350 -0.132 30 20 DBED C=C[C@@H](CC)CC(=O)N[C@@H]1CN(CCS(C)(=O)=O)C[C@H]1O 1195554747 OGWJKGQHJYKTAI-YNEHKIRRSA-N 318.439 -0.205 30 20 DBED CC#CCN1CCCN(C(=O)[C@@H](CCC(N)=O)NC(C)=O)CC1 1197460384 DCLWSUFFXWVCES-CQSZACIVSA-N 322.409 -0.686 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CCN(C(=O)c2cnccn2)CC1 1199145928 TVXZTYGBBRYELT-GFCCVEGCSA-N 315.377 -0.191 30 20 DBED CCN1CCOC[C@H]1C(=O)N1CCCO[C@@H](CNCC#N)C1 1200859588 OEYZQAPUPFKZBY-KBPBESRZSA-N 310.398 -0.562 30 20 DBED CC#CCNC1CCN(C(=O)CNS(=O)(=O)CC)CC1 1200859730 UWWKAFBHFPMQBQ-UHFFFAOYSA-N 301.412 -0.470 30 20 DBED CC#CCNC[C@H]1CN(C(=O)[C@H]2CCN(C)C2=O)CCCO1 1201204024 GLYQKKIJSPYOLZ-KBPBESRZSA-N 307.394 -0.305 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)[C@H]2CCCCN2C)CC1 1201267878 SILNHFBXDNYYFJ-OAHLLOKOSA-N 320.437 -0.199 30 20 DBED C[C@@H](CS(C)(=O)=O)C(=O)N1CCCO[C@@H](CNCC#N)C1 1202172731 FKGSIJDJGMIWMD-RYUDHWBXSA-N 317.411 -0.602 30 20 DBED CC#CCN1C[C@@H](NC(=O)CCS(=O)(=O)NC)[C@H](C)C1 1206970600 XQHANRSMTHUNKD-VXGBXAGGSA-N 301.412 -0.615 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1NC(=O)CCc1nnc(O)nc1O 1207857787 PHMLBLSZUWCXSB-PSASIEDQSA-N 306.326 -0.825 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCN(C(=O)COCC(F)F)C1 1208703899 GAQHLAWRIUNHSP-SNVBAGLBSA-N 318.324 -0.512 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)c2cnon2)[C@H](C)C1 1209648454 FEBOVHLVTJSEKB-JFGNBEQYSA-N 305.338 -0.742 30 20 DBED Cc1nc[nH]c1CC(=O)N1CCC[C@@H](NCC(=O)NCC#N)C1 1210847792 SGSLYZBFZHPWHF-GFCCVEGCSA-N 318.381 -0.519 30 20 DBED C=CCCOCC(=O)N1CCC[C@@H](NCC(=O)NC(N)=O)C1 1211355542 SHXCTQJBGNPHTK-LLVKDONJSA-N 312.370 -0.645 30 20 DBED CO[C@@H]1CN([C@H](C)c2nnnn2C)C[C@H]1NC(=O)C#CC(C)C 1212241445 RGNABIPCNYYVQU-JHJVBQTASA-N 320.397 -0.254 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@H]1C 1214952655 GSRQMBUWHMXATE-MGPQQGTHSA-N 308.426 -0.488 30 20 DBED C[C@@H]1CN(C(=O)CCCCCS(N)(=O)=O)C[C@H]1NCC#N 1217161575 UMANTLVTYKZFRU-VXGBXAGGSA-N 316.427 -0.205 30 20 DBED Cn1ccnc1CN1C[C@H](O)[C@H](NC(=O)CSCC#N)C1 1219219598 DSYNRTDUXKVZFJ-MNOVXSKESA-N 309.395 -0.662 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CN(CCO[C@@H]2CC2(F)F)C[C@@H]1O 1219593580 YVRSYQDCNZMYJE-FRRDWIJNSA-N 314.332 -0.015 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN([C@H](C)c2nncn2C)C[C@@H]1O 1219609191 GDHNYINYRSOWDP-UPJWGTAASA-N 321.381 -0.923 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)C/C=C(/C)C=C)C1 1220169664 PPWRLQRACWUCTA-OIQKGARISA-N 319.405 -0.192 30 20 DBED COCC#CCN1CC[C@@H]2CN(C(=O)[C@@H]3CCCNC3=O)[C@@H]2C1 1221631447 QOEJJKYBOYJKPE-RBSFLKMASA-N 319.405 -0.305 30 20 DBED N#CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3ccsn3)[C@@H]2C1 1221638393 NHWKPVVGVGLVCF-ZYHUDNBSSA-N 319.390 -0.071 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)c2[nH]cnc2CC)CC1 1230152582 UQENYEKUZJUBDG-UHFFFAOYSA-N 317.393 -0.084 30 20 DBED C#CCN1CCS(=O)(=O)[C@H](CCNC(=O)CSC)C1 1230416155 AKDGALDOTBSRCZ-LLVKDONJSA-N 304.437 -0.412 30 20 DBED C#CCN1CCS(=O)(=O)[C@@H](CCNC(=O)[C@@H](F)CC)C1 1230480920 IYYZOFKQNAYAAH-RYUDHWBXSA-N 304.387 -0.027 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)C1CCOCC1 1230556406 JHARFVRRYMAVBX-CQSZACIVSA-N 307.394 -0.305 30 20 DBED C=C(C)CCN1CC[C@@H]1CN(C)C(=O)Cn1cnc(C(N)=O)n1 1234413314 IMMZBNIOHGVACD-GFCCVEGCSA-N 320.397 -0.124 30 20 DBED COCC#CCN1CC[C@@H]1CN(C)C(=O)c1cc(=O)n(C)cn1 1235487778 FPTJPMGYIPJYBD-CYBMUJFWSA-N 318.377 -0.424 30 20 DBED C[C@](O)(CNC(=O)NCCN/C(O)=C1\N=CC=CC1=O)C1CC1 1251798887 UQLJACFPSPKWOI-LHNRBYRGSA-N 322.365 -0.027 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CO[C@@H](C)C2)C1=O 1261478590 SPAQSIABZGQETL-TUAOUCFPSA-N 309.366 -0.475 30 20 DBED CCn1ccc(C(=O)N[C@H]2CCCN(CC(=O)NCC#N)C2)n1 1266239247 AFFGFZTVQSCINR-LBPRGKRZSA-N 318.381 -0.263 30 20 DBED CN(C[C@@H](O)CNC(=O)C#CC1CC1)C(=O)[C@H]1CCCN1C 1288066247 HARXBKOROYCFIK-UONOGXRCSA-N 307.394 -0.571 30 20 DBED N#CCN1CCN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)CC1 1318869336 JJZJUEUWYUXBQQ-CCEZHUSRSA-N 317.349 -0.429 30 20 DBED Cc1nn(C)c(N2CCOCC2)c1C=NN1CC(=O)NC1=O 1319705859 RDWAXWONEMEKBI-UHFFFAOYSA-N 306.326 -0.549 30 20 DBED N#CCCCNC(=O)C(=O)NCCNc1ncccc1C#N 1322090208 UWJCSENRCVBWIH-UHFFFAOYSA-N 300.322 -0.099 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N1CC[C@H](OCCOC)C1 1325475219 OYHPKPZIZXWLIU-RYUDHWBXSA-N 300.355 -0.433 30 20 DBED C=C(C)COCCNC(=O)C(=O)N[C@H](C)CN1CCCC1=O 1325904942 DGGDLAXCLFWWAC-GFCCVEGCSA-N 311.382 -0.178 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC2(C#N)CCOCC2)C1=O 1328454554 GKBWGOOSEQHUBT-UHFFFAOYSA-N 320.305 -0.848 30 20 DBED CN(C[C@@H]1CCOC1)C(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1329478648 NLMJUZIKXRZYBM-JSGCOSHPSA-N 320.393 -0.320 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)NC[C@@]1(OC)CCOC1 1333014784 ZPAVANSBDFCCND-WFASDCNBSA-N 312.366 -0.547 30 20 DBED C#CCN(CC1CC1)C(=O)N[C@H]1CS(=O)(=O)C[C@H]1OC 1333805339 YDKDBWCCXXWIGX-NWDGAFQWSA-N 300.380 -0.147 30 20 DBED COCC#CC(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F 1334404546 HMWGAHOGQGKQCQ-MRVPVSSYSA-N 316.301 -0.425 30 20 DBED C=CCNC(=O)Cn1nnnc1N1CCCN(CC)C(=O)C1 1335813203 HKNCCUUMAKATQC-UHFFFAOYSA-N 307.358 -0.966 30 20 DBED CC(C)N1CCN(C(=O)C(=O)N2CCC[C@@H](C#N)C2)CC1=O 1336416725 FLZMLCPAIALSSP-LBPRGKRZSA-N 306.366 -0.172 30 20 DBED C=CCn1c([C@@H](C)O)nnc1N1CCN(CCOC)C(=O)C1 1342118736 BXRPTTFYVCGQBM-LLVKDONJSA-N 309.370 -0.188 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCC[C@@H]1[C@@H](C)O 1347604577 IHANOQVRRAKYDV-GHMZBOCLSA-N 318.395 -0.925 30 20 DBED C[C@]1(NC(=O)CCn2cc(C#N)c(O)nc2=O)CCOC1=O 1362518878 PBQFVMRSECGSEJ-ZDUSSCGKSA-N 306.278 -0.968 30 20 DBED CS(=O)(=O)CC(=O)Nc1[nH]nc(N2CCOCC2)c1C#N 1364420085 NLIGOEXLEZDBSG-UHFFFAOYSA-N 313.339 -0.899 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H](C)c1nnnn1C 1364992009 UCHZZDUXEBSFAO-BDAKNGLRSA-N 301.376 -0.413 30 20 DBED C=C(Cl)CN1CC[C@@](O)(CNC(=O)CNC(=O)CC)C1 1368248956 SMTLQUFUGJMNMW-CYBMUJFWSA-N 303.790 -0.182 30 20 DBED COCCC(=O)N(C)C[C@@H](O)CNC(=O)c1ccc(C#N)[nH]1 1370939140 SLGJGESRKGLJKZ-NSHDSACASA-N 308.338 -0.528 30 20 DBED CCn1nc(C(=O)N[C@H]2C[C@H](NC(=O)[C@H](C)C#N)C2)ccc1=O 1372576204 ITGVJEPNGQABRC-GMTAPVOTSA-N 317.349 -0.200 30 20 DBED CCCN(CCNC(=O)[C@H](C)C#N)C(=O)[C@@H]1CN(C)CCO1 1374164906 ACEWPFLAOOYYGK-OLZOCXBDSA-N 310.398 -0.169 30 20 DBED Cc1nc(C)c(C(=O)N(C)C[C@@H](O)CNC(=O)[C@@H](C)C#N)[nH]1 1384273831 KANMVBHUXXBHDM-KWQFWETISA-N 307.354 -0.265 30 20 DBED C[C@H](C#N)C(=O)NCCN(C(=O)c1c[nH]c(=O)cn1)C1CC1 1388677610 BKIPWQSSJOTSGZ-SECBINFHSA-N 303.322 -0.350 30 20 DBED C[C@@H](C#N)C(=O)N1CCCO[C@H](CNC(=O)Cn2cncn2)C1 1396288769 OWRNYMSCAMWAMI-NWDGAFQWSA-N 320.353 -0.829 30 20 DBED COCC(=O)NCCC(=O)N[C@H]1CCN(C(=O)[C@H](C)C#N)C1 1396919009 VUKCWNFPCYKMLJ-MNOVXSKESA-N 310.354 -0.984 30 20 DBED Cc1nn[nH]c1C(=O)NC[C@H](C)NC(=O)c1cc(C#N)c[nH]1 1397522986 OWLBQECYWVQJGQ-ZETCQYMHSA-N 301.310 -0.139 30 20 DBED CCCNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)c1cc(C#N)c[nH]1 1401498501 CVHDULSMMWMBIK-CMPLNLGQSA-N 321.381 -0.519 30 20 DBED C[C@@H](c1nncn1C)N1CCN(CCNC(=O)[C@H](C)C#N)CC1 1402101616 JYLNHBSPXRMQHO-OLZOCXBDSA-N 319.413 -0.230 30 20 DBED CCN(CCNC(=O)CNC(=O)OC)C(=O)c1cc(C#N)c[nH]1 1408720843 SUAMIGLIDBLZQT-UHFFFAOYSA-N 321.337 -0.179 30 20 DBED N#Cc1cn(CCC(=O)NCC[C@@H](O)C2CC2)c(=O)nc1O 1412784081 UWPCPOPXUZERTK-LLVKDONJSA-N 306.322 -0.512 30 20 DBED N#Cc1cn(CCNC(=O)NC[C@H]2CCCCO2)c(=O)nc1O 1413722607 SMJZJOYLKDDTCZ-LLVKDONJSA-N 321.337 -0.311 30 20 DBED N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)[C@H]1COCCO1 1414007606 SPMOIZMQEBBXMI-SNVBAGLBSA-N 307.310 -0.528 30 20 DBED C[C@@H](C#N)C(=O)NCC1CN(C(=O)C[C@H]2CCC(=O)NC2)C1 1416122504 XDFUCOYXHPLGSG-WDEREUQCSA-N 306.366 -0.363 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@@H]2CNC(=O)CCCC(N)=O)c1 1417046967 JJIUTPDWOJZYGL-LLVKDONJSA-N 317.349 -0.127 30 20 DBED Cn1c(C#N)ccc1C(=O)NCC(=O)NCCN1CCOCC1 1417634254 WLCOEZZXTCZZNY-UHFFFAOYSA-N 319.365 -0.925 30 20 DBED CNC(=O)NCC(=O)NC1CN(Cc2ccc(C#N)cc2)C1 1421032956 CRBYWEWPCSHAIC-UHFFFAOYSA-N 301.350 -0.212 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H](C)CNC(=O)c1ccc(=O)n(C)n1 1426832752 OAZSLUJCUJTNEW-VHSXEESVSA-N 305.338 -0.483 30 20 DBED Cc1cc(C#N)nc(N(C)CCNC(=O)C[C@H]2CCC(=O)N2)n1 1439246771 MHJMZGPOFGPQTR-LLVKDONJSA-N 316.365 -0.122 30 20 DBED CO[C@@H](C(=O)N1CC(CNC(=O)[C@H](C)C#N)C1)c1cnn(C)c1 1450710411 ICXOYMRPGFBIFR-ZWNOBZJWSA-N 319.365 -0.158 30 20 DBED Cc1cc(CC(=O)NC[C@@]2(O)CCN(C(=O)[C@H](C)C#N)C2)no1 1454090500 YAOMNUJJBCWERD-BMIGLBTASA-N 320.349 -0.235 30 20 DBED COCC#CCNC[C@@H]1CCCCN1C(=O)[C@H]1CCC(=O)N1 1480338279 GSATYVHIXZSVEP-UONOGXRCSA-N 307.394 -0.115 30 20 DBED CCN(CCC#N)C(=O)CN1CC(CNC(=O)CC(C)(C)O)C1 1481623065 UTUARGOTUOFKQB-UHFFFAOYSA-N 324.425 -0.042 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)c2ccns2)CC1 1514552099 LXPAFVGBOJVSOI-UHFFFAOYSA-N 314.392 -0.632 30 20 DBED C=CCN1CC[C@H](NC[C@H](NC(=O)CNC(=O)O)C2CC2)C1=O 1573369301 XSMMUJYUSJOHPW-RYUDHWBXSA-N 324.381 -0.475 30 20 DBED C[C@]1(CNC(=O)CCn2cc(C#N)c(O)nc2=O)CCCNC1 1576509667 IGRONPSHTLBGJT-HNNXBMFYSA-N 319.365 -0.283 30 20 DBED Cn1c(=O)[nH]c(N2CCOC3(CCC(N)CC3)C2)c(C#N)c1=O 1579940144 SBFYGYVEUUGFQJ-UHFFFAOYSA-N 319.365 -0.578 30 20 DBED N#Cc1nc(N2CCCC3(C2)OCCO3)cnc1-c1nn[nH]n1 1581879307 FXITZDKVSLEOEF-UHFFFAOYSA-N 314.309 -0.128 30 20 DBED C#CCN(CC(=O)O)C(=O)NC[C@H]1CCN1C1CCOCC1 1588408380 KERJRZDFXKZZGK-CYBMUJFWSA-N 309.366 -0.031 30 20 DBED C#CCNC(=O)CN(C)C1CCN(C(=O)[C@H]2C[C@H]2C(=O)O)CC1 1588483919 MRPDOTIGIJFVIZ-QWHCGFSZSA-N 321.377 -0.621 30 20 DBED C#CCOCCC(=O)NC[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2C(=O)O)C1 1588489584 FRCOGIMNDVIPCD-FDYHWXHSSA-N 322.361 -0.242 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H](Cn1cncn1)C(=O)O 1588548002 PIZFRAGDZGGUJG-WDEREUQCSA-N 309.326 -0.682 30 20 DBED C=CCSCCNC(=O)C(=O)N1CC[C@](OC)(C(=O)O)C1 1588878950 OUIOAXWVJHHGTA-CYBMUJFWSA-N 316.379 -0.276 30 20 DBED C[C@@](O)(CNC(=O)CNC(=O)c1ccc(C#N)cc1)C(=O)O 1589139250 PQMMUAZCGCBZSJ-CQSZACIVSA-N 305.290 -0.760 30 20 DBED N#Cc1ccc(CCNC(=O)Cn2cnc(-c3nn[nH]n3)n2)cc1 1592692992 UECPXNZIMYKEKL-UHFFFAOYSA-N 323.320 -0.311 30 20 DBED CCN(CCC#N)C(=O)COC(=O)Cn1cc(C(=O)O)nn1 1596299586 PVZGQXKCIUKXCA-UHFFFAOYSA-N 309.282 -0.718 30 20 DBED COCC#CCN1CCN(CCNC(=O)[C@H]2C[C@@H]2C(=O)O)CC1 1599139099 TWAVRNCKKRRFKG-KBPBESRZSA-N 323.393 -0.909 30 20 DBED N#CCC1(CS(=O)(=O)N2C[C@@H](O)C[C@H](C(=O)O)C2)CC1 1601062504 JIMALINPYYWQKQ-UWVGGRQHSA-N 302.352 -0.223 30 20 DBED C=CCOC[C@H](NC(=O)[C@H]1CCc2nnn(C)c2C1)C(=O)O 1602910231 RANSNSUYPJPQSN-ONGXEEELSA-N 308.338 -0.308 30 20 DBED C[C@]1(C(=O)O)CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)C1 1604498185 KBMICCAEAYLGAV-AWEZNQCLSA-N 320.305 -0.466 30 20 DBED C[C@]1(CCC(=O)O)NC(=O)N(CC(=O)NC2(C#N)CCC2)C1=O 1604570768 GCOPJOJCQMQDLX-CYBMUJFWSA-N 322.321 -0.276 30 20 DBED N#Cc1ncn(CCNC(=O)c2ncc(C(N)=O)cc2Cl)n1 1647193992 LXDLGNCPWBQBOR-UHFFFAOYSA-N 319.712 -0.273 30 20 DBED CS(=O)(=O)C1(CNC(=O)N2CC[C@@](O)(CC#N)C2)CC1 1647236391 KBHRLLRKLPTFDB-NSHDSACASA-N 301.368 -0.376 30 20 DBED C=CCNC[C@@H]1CCCN(C(=O)[C@@H](C)NS(C)(=O)=O)C1 1752808360 ZPWAQFXDRGRSBC-NEPJUHHUSA-N 303.428 -0.062 30 20 DBED COCC#CCNC[C@H]1CCN(C(=O)c2nnn(C)c2C)C1 1752934495 HJDRGJYYLBGBBK-CYBMUJFWSA-N 305.382 -0.175 30 20 DBED C#CCNC(=O)CNC[C@H]1CCN(C(=O)c2ccns2)C1 1752937585 IJPBENMELKGKMB-LLVKDONJSA-N 306.391 -0.056 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)CCNC(=O)C[C@@H]1CCN(C)C1 1753071097 YKMNJFNQLGHJRI-KGLIPLIRSA-N 308.426 -0.486 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)NCCN(C)C(=O)c1ncc[nH]1 1753186395 BXJTZMYNIZEJDJ-JTQLQIEISA-N 322.369 -0.528 30 20 DBED C=CCNC(=O)[C@@H](C)NCCN(CC)C(=O)c1cn(C)nn1 1754043359 MJUWZYXJVDIVIK-LLVKDONJSA-N 308.386 -0.443 30 20 DBED Cn1cc(C(=O)N2CCC[C@H]2CNCC(=O)NCC#N)cn1 1754605824 RNYSABHBZFHYFH-LBPRGKRZSA-N 304.354 -0.746 30 20 DBED C#CCN(C(=O)[C@@H]1CN(C)C(=O)N1)C1CCN(C[C@@H](C)O)CC1 1754639856 YDPWMKCZNFNFAG-OCCSQVGLSA-N 322.409 -0.683 30 20 DBED C#CCCN[C@H](C)[C@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 1754790424 FZHKHPZOJMOQJB-NEPJUHHUSA-N 318.381 -0.773 30 20 DBED C#CCN[C@@H](C)[C@H]1CCN(C(=O)CCn2ncn(C)c2=O)C1 1754797365 OBTLMWANKRPFIU-STQMWFEESA-N 305.382 -0.568 30 20 DBED COCC#CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1nnn(C)n1 1754869168 UGSXHQUYNINGAB-OLZOCXBDSA-N 318.381 -0.461 30 20 DBED N#CCNC(=O)CNC[C@H]1CN(C(=O)c2cc(F)c[nH]2)CCO1 1755004457 BKXNQOVOFVFAPW-NSHDSACASA-N 323.328 -0.776 30 20 DBED C#CCNC(=O)CN1CCC[C@H](NC(=O)Cc2ccon2)CC1 1755022747 VACIXEFMMNVEMM-ZDUSSCGKSA-N 318.377 -0.063 30 20 DBED C=CCN1CC2(C1)CN(C(=O)CCCS(C)(=O)=O)CCO2 1755060332 ACEQDUOHZGDGNO-UHFFFAOYSA-N 316.423 -0.090 30 20 DBED C=CCCN[C@@H]1CN(C(=O)CCn2cc[nH]c(=O)c2=O)C[C@@H]1C 1755117573 IGLUQUJFLAZSNF-QWHCGFSZSA-N 320.393 -0.061 30 20 DBED CCS(=O)(=O)N(C)CC(=O)NC1CC(CNCC#N)C1 1755219438 RDBWYVJWYMTXFD-UHFFFAOYSA-N 302.400 -0.724 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H](CO)NCc1cncc(C)c1 1755627143 DJZKQRGSVQMQGO-DZGCQCFKSA-N 305.378 -0.005 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H](CO)NCc2cnon2)cc1 1755634105 HWWOYUWYEVOABC-AWEZNQCLSA-N 300.318 -0.069 30 20 DBED C#CCCN(C)C[C@H](O)CN(C)C(=O)CN1CCCNC1=O 1755803418 UNBWURDWGLAWQT-ZDUSSCGKSA-N 310.398 -0.824 30 20 DBED C=C[C@](C)(O)CC(=O)N1C[C@@H]2C(CNC(=O)CNC(C)=O)[C@H]2C1 1756188852 VSCBBEOTMMNFEZ-IOASZLSFSA-N 323.393 -0.730 30 20 DBED C#CCOCCC(=O)N1C[C@H]2[C@H](CNC(=O)c3nc[nH]n3)[C@H]2C1 1756206642 NJAUUTHGJGKFRL-CNDDSTCGSA-N 317.349 -0.721 30 20 DBED C=CCCC(=O)N[C@@H](C)CN(C)C(=O)CCn1ncn(C)c1=O 1756476007 YBMIATMEQVBGSX-LBPRGKRZSA-N 323.397 -0.099 30 20 DBED CNC(=O)CC(=O)N(CCO)C1CCN(C(=O)[C@H](C)C#N)CC1 1757555130 STBYGBKHPXDUFS-LLVKDONJSA-N 324.381 -0.906 30 20 DBED C=CCOCC(=O)N1CC[C@H](NC(=O)c2cn[nH]c2)[C@H](O)C1 1757562034 LONJHJOPOPBMIZ-NWDGAFQWSA-N 308.338 -0.696 30 20 DBED C=CCCn1cc(CN[C@@H](CCCNC(N)=O)C(=O)O)nn1 1776176279 XFXYNEPKISYGGP-NSHDSACASA-N 310.358 -0.155 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)C2CC(O)C2)C1 1841301026 QUUHKGMEHDJGFH-HSBZDZAISA-N 320.389 -0.001 30 20 DBED CN1C(=O)CC[C@H]1C(=O)N1CCCC12CN(C(=O)CC#N)C2 1845237500 VNIWYPDNUJCCPI-NSHDSACASA-N 304.350 -0.276 30 20 DBED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)C1=COCCC1)C2 1846197015 KUVUXJHOEBYRSU-UHFFFAOYSA-N 318.329 -0.028 30 20 DBED C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cnn(C)c1 49336024 XEPYXYWJGNNEQJ-JTQLQIEISA-N 319.408 -0.216 30 20 DBED C[C@@H](C#N)CN(C)C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 53077080 UZQGRPSPBKOPJN-VIFPVBQESA-N 318.337 -0.948 30 20 DBED C#Cc1cccc(NC(=O)C(=O)NCCNS(=O)(=O)CC)c1 62197133 UKIIPCMTDSMPPV-UHFFFAOYSA-N 323.374 -0.338 30 20 DBED C=CC[C@H](C)NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 116860400 GPJOLRGDJWOEQL-VIFPVBQESA-N 305.338 -0.486 30 20 DBED N#Cc1ccc(Cl)c(S(=O)(=O)N2C[C@H](O)[C@H](O)C2)c1 130639436 RISHHEVEKCZPCN-AOOOYVTPSA-N 302.739 -0.062 30 20 DBED C[C@H]1CN(c2nccnc2C#N)CCN1CCS(C)(=O)=O 155715546 YXXGLISMEYFYEU-NSHDSACASA-N 309.395 -0.097 30 20 DBED N/C(=N/CC(=O)NC1CC1)N1CCN(c2ncccn2)CC1 262267233 JZCFTGQXEBOEEP-UHFFFAOYSA-N 303.370 -0.808 30 20 DBED Cc1ccc(C#N)cc1S(=O)(=O)N1CCO[C@H](C(N)=O)C1 265122980 KNFZLYWNGAJVQZ-NSHDSACASA-N 309.347 -0.259 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@](C)(O)C2)C1=O 271080774 GBNLNHQTCSFQFU-CQSZACIVSA-N 309.322 -0.663 30 20 DBED COC(=O)[C@@H](CO)NS(=O)(=O)c1c(F)cc(C#N)cc1F 271702980 HTVGPUZBYQIRES-SECBINFHSA-N 320.273 -0.351 30 20 DBED COC(=O)C[C@H](NS(=O)(=O)CC1(C#N)CC1)C(=O)OC 274234732 UYRDCNAGZUOKAH-QMMMGPOBSA-N 304.324 -0.686 30 20 DBED CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N(CCO)CCO 279367543 IIAPSYZSPRVPMT-UHFFFAOYSA-N 322.365 -0.134 30 20 DBED C=CC[C@H](CO)NC(=O)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1 288019292 CKLNWLOUPUZTQC-FRRDWIJNSA-N 312.366 -0.554 30 20 DBED C=C[C@H](CO)NC(=O)CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 290678005 TUJODOYQISTEHM-SNVBAGLBSA-N 323.305 -0.004 30 20 DBED Cn1c(N2CC[C@@H]3OCCC[C@H]3C2)c(C#N)c(=O)n(C)c1=O 301703961 FTDBKYBEYRZAIS-JQWIXIFHSA-N 304.350 -0.039 30 20 DBED Cn1c(=O)ccn(C/C(O)=N/C[C@@H]2CCN(C3CC3)C2)c1=O 328932654 BPEOJFRXZZAFFX-NSHDSACASA-N 306.366 -0.012 30 20 DBED C[C@H](CN1CCOCC1)/N=C(/O)N[C@@H]1CCCS(=O)(=O)C1 329854017 SJXSRIIFFFLDFQ-VXGBXAGGSA-N 319.427 -0.212 30 20 DBED C[C@H]1CN(S(=O)(=O)N(C)[C@H](C)CC#N)CCS(=O)(=O)C1 332064886 ZZFIBMOTUQEVAW-WDEREUQCSA-N 323.440 -0.168 30 20 DBED CC(C)COC[C@@H](O)CNS(=O)(=O)N1CCO[C@H](C#N)C1 337085494 DKCCVRIEZBEEOG-NWDGAFQWSA-N 321.399 -0.921 30 20 DBED CC[C@H](C#N)NC(=O)CCNS(=O)(=O)c1cn(C)c(C)n1 338929644 OMADFKIBOAKIPC-SNVBAGLBSA-N 313.383 -0.185 30 20 DBED CCOCCS(=O)(=O)NCC(=O)N(C)C1(C#N)CCC1 342664616 SEZAXWBNYFGSPT-UHFFFAOYSA-N 303.384 -0.153 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCN[C@H]2C)CC1 342766467 VENFGHANVBNTNT-UONOGXRCSA-N 308.426 -0.179 30 20 DBED N#CCNC(=O)CNC(=O)NCCCN1CCCCCC1=O 343800414 YHJPXLMJXTXOQF-UHFFFAOYSA-N 309.370 -0.282 30 20 DBED N#CCNC(=O)CNC(=O)c1ccnc(NC(=O)C2CC2)c1 344108603 CSIRPXCTLUANJF-UHFFFAOYSA-N 301.306 -0.200 30 20 DBED COC(=O)[C@@H](Nc1ccn(CC(N)=O)n1)c1cccc(C#N)c1 344548771 HDCHDQMWCRFPLK-AWEZNQCLSA-N 313.317 0.566 30 20 DBED CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)[C@@H](C)C#N)c1 347105661 LFPFNMYMQPACMI-VIFPVBQESA-N 324.362 -0.191 30 20 DBED CCS(=O)(=O)NCCCNS(=O)(=O)CCCCC#N 354452523 IJAPGJGSVJAJII-UHFFFAOYSA-N 311.429 -0.071 30 20 DBED C=CCOC[C@H](NC(=O)[C@@H]1CCc2nnn(C)c2C1)C(=O)OC 356338144 IYVSGCOLYUXHQH-PWSUYJOCSA-N 322.365 -0.220 30 20 DBED COc1ccc(CNC(=O)NCC(=O)NCC#N)c(OC)n1 358448993 BSZWHULCMQRPSY-UHFFFAOYSA-N 307.310 -0.462 30 20 DBED C=CCNS(=O)(=O)c1cccc(C(=O)NCCC(N)=O)c1 359702366 YWCMPKQQNOOKSI-UHFFFAOYSA-N 311.363 -0.244 30 20 DBED CC(C)[C@@H](C(=O)N1CCO[C@H](C#N)C1)N1CCCS1(=O)=O 408080323 NIAUPJDSMVLEDW-NEPJUHHUSA-N 315.395 -0.203 30 20 DBED C=C(CC)CNC(=O)N1CC(S(=O)(=O)N2CCNCC2)C1 418269011 SBDKHEYVJLBWQJ-UHFFFAOYSA-N 316.427 -0.419 30 20 DBED C[C@H](CNS(=O)(=O)c1cccnc1C#N)S(C)(=O)=O 570790947 SMHOAUNJARTAPN-MRVPVSSYSA-N 303.365 -0.335 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CC2(C1)CS(=O)(=O)C2 603369432 KEUIQKQTEDZMTL-UHFFFAOYSA-N 307.397 -0.803 30 20 DBED N#Cc1ccc(NC(=O)C(=O)NCc2nn[nH]n2)cc1Cl 609532728 PICJFGSSGVGFNW-UHFFFAOYSA-N 305.685 -0.020 30 20 DBED O=C(NCC#CCO)Nc1cnn(CCN2CCOCC2)c1 639749639 IZIZBQPJRKRKCH-UHFFFAOYSA-N 307.354 -0.668 30 20 DBED CC#CC[C@@H](CO)NC(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 651242328 XJCDQGCZBSRMBO-MNOVXSKESA-N 303.384 -0.906 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 685742512 GAXJXHZSCCODLA-GDBMZVCRSA-N 311.426 -0.164 30 20 DBED C=CCOCC(=O)NCCNc1ncccc1-c1nn[nH]n1 735437453 JHALLUGJKMMIME-UHFFFAOYSA-N 303.326 -0.008 30 20 DBED CNS(=O)(=O)CCC(=O)OCC(=O)N[C@](C)(C#N)C1CC1 783190859 NJYSPZDBAHVUIK-GFCCVEGCSA-N 317.367 -0.723 30 20 DBED CCOC(=O)CON=C(C(=O)N1CCC[C@H](O)C1)c1cc[nH]n1 790102967 UJIJSSBAFYAJFJ-JTQLQIEISA-N 324.337 -0.323 30 20 DBED C#CCC[C@H](O)CNC(=O)[C@@](C)(O)Cn1c(C)cccc1=O 799069975 HAGHVGXTNJFNAT-BBRMVZONSA-N 306.362 -0.202 30 20 DBED CC#CC(=O)N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 801234867 XXUBIAMTAKZRAO-LBPRGKRZSA-N 302.396 -0.091 30 20 DBED CC1(C2CCN(C(=O)NCC(=O)NCC#N)CC2)OCCO1 807551904 HRXWNRGOXRQAFW-UHFFFAOYSA-N 310.354 -0.189 30 20 DBED COC(=O)C1(NC(=O)CN(CC#N)CC(=O)O)CCCCC1 831094992 XFOPAGUXYDOYLQ-UHFFFAOYSA-N 311.338 -0.111 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(F)c[nH]2)CC1 831574520 ITOHGCSIEXGDQK-UHFFFAOYSA-N 314.342 -0.621 30 20 DBED C#C[C@@H](NC(=O)c1cc(S(N)(=O)=O)ccc1O)[C@@H]1CCCO1 832412519 QPNYHESWRPUAMB-YPMHNXCESA-N 324.358 -0.050 30 20 DBED C#CC[C@H](NS(=O)(=O)CCCN1CCCC1)C(=O)OC 867389151 YQEBYYPMRDMMAI-LBPRGKRZSA-N 302.396 -0.043 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)NC2CC=CC2)CC1 893660412 CVDGJLZNCSZAHR-UHFFFAOYSA-N 312.395 -0.500 30 20 DBED C#CCNS(=O)(=O)N1CCN(Cc2ccnn2CC)CC1 895915675 GQCWTSVDLWUIEB-UHFFFAOYSA-N 311.411 -0.512 30 20 DBED C[C@@H](OC(=O)CSCC#N)C(=O)N1CCC[C@@H](C(N)=O)C1 915386437 LWSFWPGBPNHVGY-NXEZZACHSA-N 313.379 -0.101 30 20 DBED C#CCN1CCC[C@@H](NC(=O)CCC(=O)NCCNC(C)=O)C1 923577971 CAIGRFYLGOSEPS-CQSZACIVSA-N 322.409 -0.767 30 20 DBED C#CCN[C@@H]1CN(C(=O)Cn2nc3n(c2=O)CCCC3)C[C@H]1C 939486288 VJQFVJMVWFATTA-CHWSQXEVSA-N 317.393 -0.549 30 20 DBED C=CCN1CC[C@@H](NC(=O)CN2CCN(C)C(=O)C2)[C@@H](C)C1 942199747 GVNZTNYTXKGIGO-UONOGXRCSA-N 308.426 -0.227 30 20 DBED C[C@H](C#N)C(=O)N1CCCC[C@@H](NC(=O)Cn2cnnc2O)C1 943201646 UHMUFFRMGKRSMF-GHMZBOCLSA-N 320.353 -0.359 30 20 DBED C=CCCN1CC[C@H](NC(=O)CN2CC(=O)NC2=O)[C@@H](C)C1 943674007 GLPSJSFWGCKCDS-RYUDHWBXSA-N 308.382 -0.059 30 20 DBED Cc1nn[nH]c1C(=O)NC[C@@H]1CN(C(=O)C#CC2CC2)CCO1 944698063 JAKWDKLGXKXIHR-GFCCVEGCSA-N 317.349 -0.516 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(CC1)CN(C(=O)C1(C(N)=O)CC1)C2 945031637 XWVDFNUBIXHZEH-NSHDSACASA-N 318.377 -0.137 30 20 DBED Cn1ncc(C(=O)NC[C@@H]2CCN2C(=O)c2c[nH]c(C#N)c2)n1 951087540 VMUMTRFMBHATEJ-NSHDSACASA-N 313.321 -0.341 30 20 DBED C=CCn1cc(C(=O)N(C)C2CN(C(=O)c3cnon3)C2)nn1 954308011 IUCKHZPJBXXWFQ-UHFFFAOYSA-N 317.309 -0.556 30 20 DBED C#CCN1C[C@H](CNC(=O)c2cn(C)nc2C2CC2)[C@@H](O)C1 958100754 GNSUPPGFXFNNBC-JSGCOSHPSA-N 302.378 -0.047 30 20 DBED C=CCN1C[C@H](CNC(=O)c2cn(C)c(C)cc2=O)[C@@H](O)C1 958153099 RWZKYBLOVMVEQT-WFASDCNBSA-N 305.378 -0.098 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](CNC(=O)c2ccoc2CC(N)=O)C1 958350974 WNOIMMHDWVPLNC-DGCLKSJQSA-N 321.377 -0.094 30 20 DBED CC#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cc3ncccn3n2)C1 958495142 VJPDYZRXGJKUCY-GXTWGEPZSA-N 313.361 -0.225 30 20 DBED C#CCCN1C[C@H](O)[C@H](CNC(=O)c2c(OC)ccnc2O)C1 958595676 UFJIXKNMRHJYTP-NEPJUHHUSA-N 319.361 -0.158 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](CNC(=O)c2c[nH]c(C(N)=O)c2)C1 958673684 VEVLSPWIBZIDCR-DGCLKSJQSA-N 306.366 -0.288 30 20 DBED C=CCN1C[C@@H](O)[C@H](CNC(=O)c2c(OC)ncnc2OC)C1 958759193 WCCWPVKJEOSUNY-GHMZBOCLSA-N 322.365 -0.298 30 20 DBED C[C@H]1CN(C(=O)C(N)=O)C[C@@H]1CNC(=O)c1ccc(C#N)[nH]1 959570512 BTQXGTRVVCZKED-IUCAKERBSA-N 303.322 -0.804 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CN(C(=O)C3=COCCO3)C[C@H]2C1 959817142 RVNWBYYCKLSQAG-SDDRHHMPSA-N 305.334 -0.049 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)Cc1ncc[nH]1 960850431 LUJGYMFKPUKFBH-GRYCIOLGSA-N 317.349 -0.450 30 20 DBED C=CCn1cc(C(=O)N2C[C@H](O)[C@H](NC(=O)C(F)F)C2)nn1 961089794 GXKZICNYLPQZDX-APPZFPTMSA-N 315.280 -0.969 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CN(C(=O)[C@H]3CCC(=O)N3)C[C@H]2C1 961189564 YZVCPYXIHVBVSW-WISYIIOYSA-N 304.350 -0.659 30 20 DBED C#CCCN1C[C@H]2C(NC(=O)[C@@H]3CN4CC5CC4(CO3)C5)[C@@H]2C1 961283907 QPIRXNQUELIDLS-HIJUSWDOSA-N 315.417 -0.081 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1[C@H]2CN(CC(=O)N(C)C)C[C@H]12 961814096 LBPBLKAPVQMQBG-VOAKCMCISA-N 307.394 -0.288 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@H]3[C@H]2CCCN3C(=O)C(N)=O)c1 963506430 BMNSRLWCXHCJNB-NEPJUHHUSA-N 315.333 -0.423 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(C[C@@H](NC(=O)c3cocn3)CO2)C1 965643143 HPSCUHDICPPFDW-VHSXEESVSA-N 304.306 -0.066 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CN(C(=O)COC)C[C@H]2C)nn1 966078660 HELPVYWHUFHVSP-MNOVXSKESA-N 307.354 -0.313 30 20 DBED C#Cc1cncc(C(=O)N[C@H]2CN(C(=O)C(N)=O)C[C@H]2C)c1 966754654 OBTFNQBOCZIPHO-SKDRFNHKSA-N 300.318 -0.875 30 20 DBED CC(=O)N1CC(C(=O)N2CC[C@@]3(CN(CC#N)CCO3)C2)C1 972358289 PPXKTBMKJNHZBX-OAHLLOKOSA-N 306.366 -0.708 30 20 DBED CN(CC#N)[C@H]1CCN(C(=O)C2CC3(C2)NC(=O)NC3=O)C1 972535063 WMXGWODUYYZEPL-XIRUVYRFSA-N 305.338 -0.969 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)Cc3nc[nH]n3)C2)cn1 974344773 MWFAWVFMXSEUSZ-BETUJISGSA-N 324.344 -0.199 30 20 DBED C[C@H]1[C@@H](NCc2nnn(C)n2)CCN1C(=O)c1cc(C#N)c[nH]1 986129336 DFBLPACWKGHUBN-ONGXEEELSA-N 314.353 -0.197 30 20 DBED C=CCn1cc(C(=O)NC2CN(C(=O)[C@H]3CCO[C@@H]3C)C2)nn1 991673040 IMMIXBJNHNZDBL-PWSUYJOCSA-N 319.365 -0.170 30 20 DBED C=CCn1cc(C(=O)NC2CN(C(=O)[C@@]3(F)CCOC3)C2)nn1 991696725 ZMTWZUSFHMCEOI-CQSZACIVSA-N 323.328 -0.467 30 20 DBED C[C@@H](C#N)C(=O)N1CC(N2C[C@H](NC(=O)CC3CC3)CC2=O)C1 995466747 XYLNCTLRQDPNEI-CMPLNLGQSA-N 318.377 -0.126 30 20 DBED C[C@@H](NC(=O)[C@H]1CCNC(=O)C1)C1CN(C(=O)C#CC2CC2)C1 1005902498 WBKALEZDWDFCPM-YPMHNXCESA-N 317.389 -0.111 30 20 DBED C#CCN1CCC[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)C1 1009203462 NFRIBLDGSYFQCU-SNVBAGLBSA-N 300.322 -0.755 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2C(NC(=O)CC3OCCCO3)[C@@H]2C1 1013003668 HFECLIMIGXFBHM-GMTAPVOTSA-N 307.350 -0.128 30 20 DBED O=C1NCCC[C@@H]1C(=O)NC1[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]12 1013259412 SAEJWNHGHZTRLI-YNEHKIRRSA-N 315.373 -0.501 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2ccc(=O)n(CCOC)n2)C1 1015180288 ZTDOPZGHYSWTES-CYBMUJFWSA-N 318.377 -0.283 30 20 DBED C=CCCN1CC[C@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)C1 1016340943 GIQKEIAFVBVPIU-LBPRGKRZSA-N 320.397 -0.254 30 20 DBED N#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1ccc(O)nc1=O 1017714173 OGKLHKXDGQXICW-PHIMTYICSA-N 303.322 -0.852 30 20 DBED C#Cc1ccc(C(=O)N2C[C@H](NC(=O)C(N)=O)CC[C@@H]2C)cn1 1018374768 KKYKHYJTNNDJRW-GXFFZTMASA-N 314.345 -0.343 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(CN(C(=O)CCn3cnnn3)C2)C1 1019330566 JVLLBWZKVXCAAR-NSHDSACASA-N 317.353 -0.716 30 20 DBED C[C@H](C#N)C(=O)N1CCC2(CN(C(=O)c3cn(C)c(O)n3)C2)C1 1019384372 UJKLDHKPBKDJSH-SNVBAGLBSA-N 317.349 -0.040 30 20 DBED Cc1cc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2O)nn1C 1023148076 RSIQAPDJPZLRIT-GGZOMVNGSA-N 305.338 -0.810 30 20 DBED N#CCN[C@@H]1CC[C@H]2CN(C(=O)C3CC(=O)NC(=O)C3)C[C@@H]21 1026375693 XGLMJYRHZJRPSS-ZMLRMANQSA-N 304.350 -0.611 30 20 DBED Cn1nnnc1CN1CC[C@@H](CNC(=O)c2ccc(C#N)[nH]2)C1 1028489789 BOGDXYFIDIFZSB-JTQLQIEISA-N 314.353 -0.338 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C2CC3(C2)NC(=O)NC3=O)C1 1033493412 ADHNXMDECGLFGW-VTWZXRTESA-N 306.366 -0.307 30 20 DBED N#CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)Cn1nnc2c1CCCC2 1037590962 MWHNTWYIJACGHM-RIEGTJTDSA-N 300.366 -0.131 30 20 DBED C#CCN[C@@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C[C@@H]1CC 1037947075 PQEYRKUONQLKPR-WCQYABFASA-N 305.378 -0.111 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)c2cncnc2O)C1 1040163584 HNXMJPOZXCKAQQ-OTYXRUKQSA-N 319.321 -0.965 30 20 DBED C[C@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)c2cscn2)C1 1040762457 IILQZZGVHLZFDQ-RNCFNFMXSA-N 308.363 -0.004 30 20 DBED CN1CCC[C@@H]1C(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@H]1O 1040945203 PZMBWSXCZGWYLK-BPLDGKMQSA-N 315.377 -0.287 30 20 DBED N#Cc1nccnc1N1C[C@@H](O)[C@H](NC(=O)c2cncs2)C1 1040949294 KSYCYXYGXIHPKM-NXEZZACHSA-N 316.346 -0.216 30 20 DBED C#Cc1cncc(C(=O)N2CC(O)(CNC(=O)C(F)F)C2)c1 1041079937 BQAPUGXAMWGSLQ-UHFFFAOYSA-N 309.272 -0.369 30 20 DBED C#CCC1(C(=O)N2CC(O)(CNC(=O)C3CC3)C2)CCOCC1 1041094653 XXJLYVGKDREOPL-UHFFFAOYSA-N 320.389 -0.094 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(O)CN(C(=O)c2cc(C)[nH]n2)C1 1042806561 HZBRLDJFYGGITG-AWEZNQCLSA-N 322.365 -0.652 30 20 DBED CC(C)(C)C#CC(=O)NCC1(O)CN(C(=O)Cc2nc[nH]n2)C1 1042968948 POPOTSWGNCTBHJ-UHFFFAOYSA-N 319.365 -0.914 30 20 DBED Cn1ccc(C(=O)NCC2(O)CN(C(=O)C#CC(C)(C)C)C2)n1 1043118846 MNELALRMMAQVGP-UHFFFAOYSA-N 318.377 -0.227 30 20 DBED C=C(C)CCC(=O)NCC1(O)CN(C(=O)CCc2cnn[nH]2)C1 1043315665 RFCMGFXITFZJEY-UHFFFAOYSA-N 321.381 -0.217 30 20 DBED N#Cc1cnc(N2C[C@H](O)[C@H](NC(=O)C[C@@H]3CCCO3)C2)cn1 1043853469 HSPLSZMQKUECSO-XQQFMLRXSA-N 317.349 -0.417 30 20 DBED N#Cc1cnccc1N1C[C@H](O)[C@H](NC(=O)[C@H]2COCCO2)C1 1043862225 SXQQCHFOCIWHGN-KWCYVHTRSA-N 318.333 -0.966 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)CC2(C)CC2)C1 1043934189 KYQPKMDHWVWBJE-LBPRGKRZSA-N 308.378 -0.096 30 20 DBED C=C(Cl)CN1CC(N(C)C(=O)CN2CCC(=O)NC2=O)C1 1044144074 NCRDTPPDJDBNFL-UHFFFAOYSA-N 314.773 -0.177 30 20 DBED C=CCN1CC[C@H](N2CC(N(C)C(=O)c3nonc3C)C2)C1=O 1044369318 JNICGSVEUUFIQL-LBPRGKRZSA-N 319.365 -0.079 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)[C@@H]2CC[C@@H]2C(N)=O)C1 1044464561 QAFPRLZATCFOGU-WDEREUQCSA-N 323.393 -0.600 30 20 DBED Cn1nncc1C(=O)NC[C@H]1C[C@@H](N=c2cc[nH]c(C#N)n2)C1 1046364057 XDWXTCPRWUIFQQ-AOOOYVTPSA-N 312.337 -0.481 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCC1(O)CN(C(=O)CSC)C1 1046814752 QQRDDDIFTDQTNB-MNOVXSKESA-N 314.407 -0.370 30 20 DBED C#Cc1cncc(C(=O)N(C)[C@H]2CN(C[C@@H](C)O)C[C@@H]2O)c1 1047521039 JVFRCJDSRGATCG-UGFHNGPFSA-N 303.362 -0.439 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cn(C(C)C)nn2)C1 1047580674 OSSKKNRMQWJYLT-KBPBESRZSA-N 305.382 -0.001 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)C2CCC(NC(C)=O)CC2)C1 1047649055 LZPVFXXOFZCWSU-CKUJCDMFSA-N 321.421 -0.182 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCCC)C1 1048270100 RLXYQISXNWSFSR-STQMWFEESA-N 323.393 -0.654 30 20 DBED C=C[C@@](C)(O)CC(=O)N(C)[C@H]1CN(C(=O)COCC)C[C@@H]1O 1048740457 DCLRTBFUIKSEPV-SLEUVZQESA-N 314.382 -0.620 30 20 DBED C#CCCCC(=O)N(C)[C@H]1CN(C(=O)Cc2cnc[nH]2)C[C@@H]1O 1048754015 JRCBFXPTCXHETA-KBPBESRZSA-N 318.377 -0.214 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)[C@H]1CCCCS1(=O)=O 1050953528 GTDNPPALGFAMJX-CHWSQXEVSA-N 314.407 -0.596 30 20 DBED N#Cc1ccc(N2CC[C@@H](NC(=O)c3cnco3)[C@H](O)C2)nn1 1051755323 SJRPLGODCPUTAN-GHMZBOCLSA-N 314.305 -0.294 30 20 DBED CNC(=O)CC(=O)NC[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1C 1052550231 ZJVQFYMWYLDIKW-YPMHNXCESA-N 305.378 -0.253 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)C[C@@H]3CCC(=O)NC3)CO2)C1 1053827538 BXKURPHDGWOCFO-RYUDHWBXSA-N 306.366 -0.614 30 20 DBED C=C(Cl)CN1CC2(C[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)CO2)C1 1053927395 ANXUQTAPGYKIMX-MXWKQRLJSA-N 313.785 -0.180 30 20 DBED C=C(Cl)CN1CC2(C[C@H](NC(=O)[C@@H]3CCC(=O)N3)CO2)C1 1053986735 SDYGHSPQISUGHN-QWRGUYRKSA-N 313.785 -0.023 30 20 DBED N#Cc1cnc(N2C[C@H]3[C@H](NC(=O)Cc4cc[nH]n4)[C@H]3C2)cn1 1056161233 DSFYVSPSJOTJEA-JYAVWHMHSA-N 309.333 -0.135 30 20 DBED C=CCOCC(=O)N1CC[C@H]2[C@@H]1CCCN2C(=O)CC(=O)NC 1056363946 QCKDWBLJEKAVQM-STQMWFEESA-N 323.393 -0.083 30 20 DBED C[C@@]1(C(=O)N2CC[C@@H](Nc3nccnc3C#N)C2)CCNC1=O 1056777419 WKLUBHWDIUGYBU-MEBBXXQBSA-N 314.349 -0.113 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)[C@@H]1CN(C)CCO1 1057171369 YNLVHSQAPXNBGF-ZDUSSCGKSA-N 313.398 -0.780 30 20 DBED C#CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)c1cnc(C)[nH]1 1057206010 DKBBRTHWYYLJCN-NSHDSACASA-N 322.365 -0.693 30 20 DBED C#CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)[C@H]1CC1(F)F 1057508955 HLPKKZXTSCECEW-WDEREUQCSA-N 318.320 -0.383 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)Cc1ccn(C)n1 1057548063 FBIIYZFHVFLKQQ-UHFFFAOYSA-N 308.382 -0.134 30 20 DBED C#CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)/C=C\C1CC1 1057583706 XYMVUBUMOACNCJ-FWWRYZNZSA-N 308.378 -0.072 30 20 DBED C=C(C)CCC(=O)N(CCO)CCNC(=O)[C@@H]1COCCO1 1057807429 CAKXAGRTIAXONX-ZDUSSCGKSA-N 314.382 -0.305 30 20 DBED Cn1nnc(C(=O)N2[C@H]3CC[C@H]2CN(c2ncccc2C#N)C3)n1 1058790534 RNSAICXSBOTDDK-RYUDHWBXSA-N 324.348 -0.030 30 20 DBED N#Cc1cnc(N[C@H]2C[C@@H](NC(=O)[C@H]3CNC(=O)N3)C2)cn1 1059802793 LNENKXJDVMLHHD-KHQFGBGNSA-N 301.310 -0.911 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCOC[C@H]1CNC(=O)c1cc[nH]n1 1061331905 OTOHBAFKVNJBCG-NWDGAFQWSA-N 320.349 -0.595 30 20 DBED Cc1cc(CC(=O)NC[C@@H]2COCCN2C(=O)[C@@H](C)C#N)n[nH]1 1061495413 ASUHJYRKORFZHX-GXFFZTMASA-N 319.365 -0.236 30 20 DBED C=C(C)CCC(=O)NC[C@@H]1COCCN1C(=O)CNC(N)=O 1061629290 PUCPSVUYTRSEGC-LLVKDONJSA-N 312.370 -0.645 30 20 DBED CC(C)(C)C#CC(=O)N1CCOC[C@@H]1CNC(=O)c1cnn[nH]1 1061697394 PIYOXXKMGPVKPA-NSHDSACASA-N 319.365 -0.189 30 20 DBED Cn1nnc(C(=O)NC[C@@H]2CCN(c3ncccc3C#N)C2)n1 1061706036 NDVDSWVHGASFKI-JTQLQIEISA-N 312.337 -0.267 30 20 DBED Cn1nncc1C(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1C#N 1062480542 YTHPWDJRRZPEQJ-UWVGGRQHSA-N 310.321 -0.420 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)[C@H]2CC(=O)N(C)C2)CCC1 1063327747 OOYFMTUCCPAYFJ-MNOVXSKESA-N 306.366 -0.221 30 20 DBED CC[C@H]1CN(C(=O)C(N)=O)CC[C@H]1N=c1cc[nH]c(C#N)n1 1064413483 WDYGOSPSKAIYFJ-VHSXEESVSA-N 302.338 -0.706 30 20 DBED N#Cc1nccnc1N1CCC[C@@]2(CCN(C(=O)C(N)=O)C2)C1 1064567433 MYXYFHWSLYFZBO-OAHLLOKOSA-N 314.349 -0.348 30 20 DBED C=CCCC(=O)N1CCO[C@H](CNC(=O)CC(=O)NCC)C1 1064956493 YSDLYGQSEXHFOV-GFCCVEGCSA-N 311.382 -0.178 30 20 DBED N#Cc1nccnc1N1CC[C@@H]2[C@H]1CCCN2C(=O)C(N)=O 1066182898 JONWFPNBXOPINN-GHMZBOCLSA-N 300.322 -0.597 30 20 DBED CN(C[C@H]1CCCN1C(=O)CC(N)=O)c1cncc(C#N)n1 1067744137 QCIXPRQEKXUUHS-LLVKDONJSA-N 302.338 -0.349 30 20 DBED C[C@@H]1[C@H](N=c2cc[nH]c(C#N)n2)CCN1C(=O)Cn1nccn1 1068904172 UQGHICUXGJDQCK-GHMZBOCLSA-N 312.337 -0.537 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1COC2(C1)CN(C(=O)c1ncn(C)n1)C2 1069003469 NCWLGWBJFDOHST-NXEZZACHSA-N 318.337 -0.926 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)Cc2n[nH]c(C)n2)C1 1069925142 XVAICKJPNVRQKW-NEPJUHHUSA-N 316.369 -0.525 30 20 DBED CC(=O)NCC(=O)NC1(CNC(=O)[C@@H](C)C#N)CCOCC1 1069953146 RTMPDICLSKXSFJ-JTQLQIEISA-N 310.354 -0.936 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2cncn2C)C1 1069970547 LOSMXTCFMHJWIU-YPMHNXCESA-N 301.354 -0.147 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCCN(C(=O)[C@H](C)NC(C)=O)C1 1070393656 KIGZIPMJYGFUQE-GXTWGEPZSA-N 323.393 -0.342 30 20 DBED CN1CC[C@H](C(=O)N2C[C@@H]3C[C@@H]4CN(CC#N)C[C@]3(C2)O4)C1 1070888919 HPPZTXNCFZXDMK-TTZDDIAXSA-N 304.394 -0.237 30 20 DBED C#CCN1CC[C@@]2(C1)CN(C(=O)CCn1ccnn1)C[C@H](C)O2 1071159370 LAHLSUKFYNMRCN-GOEBONIOSA-N 317.393 -0.007 30 20 DBED C=C(C)CN1C[C@H](NC(=O)Cn2cnc(C(N)=O)n2)CC[C@@H]1C 1071517653 JPXMKGKYZJQRFX-NWDGAFQWSA-N 320.397 -0.078 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CN(C(=O)c2ccc[nH]2)C[C@@H]1C 1071591160 IQNVJEKRQYVUMG-AAEUAGOBSA-N 316.361 -0.269 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H](C)[C@H](NC(=O)c2ccco2)C1 1071922072 OPVNTVNQDAZTSJ-NWDGAFQWSA-N 317.345 -0.004 30 20 DBED CNC(=O)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 1071967882 RRTAOKYGKVDUBR-SKDRFNHKSA-N 317.349 -0.401 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)C2CN(C(C)=O)C2)C[C@@H]1C 1071978974 OECVGVVSXCPJCC-SMDDNHRTSA-N 323.393 -0.370 30 20 DBED CCCOCC(=O)N1CC(N2CCN(C(=O)[C@@H](C)C#N)CC2)C1 1073597368 XXJMYNCPDLVURN-ZDUSSCGKSA-N 322.409 -0.072 30 20 DBED C#CCCN1CCCO[C@@H](CNC(=O)[C@@H]2CCCNC2=O)C1 1073649027 KJCSMSZWJGMADW-UONOGXRCSA-N 307.394 -0.257 30 20 DBED N#CCN1CCO[C@H]2CCN(C(=O)CC3OCCCO3)C[C@@H]21 1074222710 MAUWPNWHKYRKPQ-STQMWFEESA-N 309.366 -0.035 30 20 DBED C=CCN1CCO[C@@H]2CCN(C(=O)CN3CC(=O)NC3=O)C[C@H]21 1074360952 UMXNVYHHLMURGT-VXGBXAGGSA-N 322.365 -0.974 30 20 DBED Cc1nonc1C(=O)N1CCC(O)(CNC(=O)[C@@H](C)C#N)CC1 1074632741 CKQNHQJYKGWSED-VIFPVBQESA-N 321.337 -0.379 30 20 DBED C#CCOCCC(=O)NCC[C@H](C)NC(=O)[C@H]1CC(=O)N(C)C1 1076507849 YFRYIUXHQBTCSE-STQMWFEESA-N 323.393 -0.484 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)Cn2cnc3c2CCCC3)C1 1077399366 GVMLVLHTMWQYAW-GDBMZVCRSA-N 316.405 -0.054 30 20 DBED C[C@@H](CCNC(=O)[C@@H](C)C#N)NC(=O)COc1cnn(C)c1 1078135966 AFLIBQYJZWKITK-QWRGUYRKSA-N 307.354 -0.030 30 20 DBED C=CCN[C@H]1C[C@@H](NC(=O)CN2CCNC(=O)C2)C12CCC2 1078695203 JMROECJGTQQWCQ-QWHCGFSZSA-N 306.410 -0.379 30 20 DBED N#CCN[C@H]1C[C@H]2CC[C@H]1N(C(=O)CN1CCC(=O)NC1=O)C2 1079081153 BBDAILCFBIAKFA-GRYCIOLGSA-N 319.365 -0.579 30 20 DBED C#CCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)Cn2nccn2)C1 1079776650 KYZROMCNJFCETG-LBPRGKRZSA-N 319.365 -0.624 30 20 DBED C=C[C@@](C)(O)CC(=O)NC1(CO)CCN(C(=O)[C@@H](C)C#N)CC1 1080836264 ZEPLGTUEQGRRDS-SWLSCSKDSA-N 323.393 -0.057 30 20 DBED Cc1c[nH]c(C(=O)NC2(CO)CCN(C(=O)[C@@H](C)C#N)CC2)n1 1080872478 VNGTZFLSLLUZBB-JTQLQIEISA-N 319.365 -0.039 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2ccncc2)C1 1081160754 HZDYDMUMTQSHQN-ZIAGYGMSSA-N 319.361 -0.167 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2ccc(O)nn2)C1 1081218527 VDONPYSLVKSQPX-ZYHUDNBSSA-N 320.349 -0.303 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)c2cc[nH]n2)C[C@H]1O 1081441228 FZRXZQMGFZLINA-WCQYABFASA-N 304.350 -0.238 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@H](CNC(=O)C#CC2CC2)C1 1081470715 DYKXUPVWLULGRW-CABCVRRESA-N 302.374 -0.005 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(C(=O)C2CC=CC2)C[C@@H]1O 1081488116 DFXRDMHVTFHVCE-CABCVRRESA-N 320.389 -0.072 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@H](CNC(=O)C(C)(C)C(N)=O)C1 1081557867 BTJFKRFVPBPBFH-NEPJUHHUSA-N 323.393 -0.907 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)C[C@H]1CCC(=O)NC1 1083103911 LDMHHLVNKGOLDH-QLFBSQMISA-N 319.405 -0.162 30 20 DBED CC(=O)NCC(=O)N1CC[C@H]2CN(c3ccc(C#N)nn3)C[C@H]21 1090283650 FPQZHHYSMQNUTO-WCQYABFASA-N 314.349 -0.479 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2cnn3cccnc23)[C@H](O)C1 1090483445 SFVSLSDPMKHTGB-UONOGXRCSA-N 313.361 -0.082 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2cncc(OC)n2)[C@@H](O)C1 1090625619 VSMUIBUFARQZGL-AAEUAGOBSA-N 304.350 -0.327 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)C2CC(=O)NC(=O)C2)[C@H](O)C1 1090636516 BBQQVFFMMXPRSK-VXGBXAGGSA-N 309.366 -0.833 30 20 DBED C[C@@H]1CN(c2ncccc2C#N)C[C@H]1NC(=O)CCNC(N)=O 1090711464 SYRRNCXYSDZLGP-ZYHUDNBSSA-N 316.365 -0.047 30 20 DBED COC[C@H](C)C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1091088325 AJBCMDZTVXIJAX-WCQGTBRESA-N 305.338 -0.704 30 20 DBED CNC(=O)CC(=O)NC1[C@@H]2CN(c3ccnc(C#N)n3)C[C@@H]12 1093242296 RVYLQPZOMBEPPA-RKDXNWHRSA-N 300.322 -0.965 30 20 DBED COCCOCC(=O)NC1[C@@H]2CN(c3ccnc(C#N)n3)C[C@@H]12 1093252836 BRNHDWVUKHZBSB-GHMZBOCLSA-N 317.349 -0.438 30 20 DBED Cc1cc(C#N)nc(NCCNC(=O)C(=O)NCC2CC2)n1 1093810843 YUMYXGNTFPXMRO-UHFFFAOYSA-N 302.338 -0.289 30 20 DBED C=C(C)CN1CCN(C(=O)c2cc[nH]n2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094612170 ZCBLGNOMIIECRP-QWHCGFSZSA-N 324.406 -0.091 30 20 DBED CNC(=O)NCC(=O)N1CCC(Nc2cncc(C#N)n2)CC1 1095250304 NTZDXLSHMFWNPR-UHFFFAOYSA-N 317.353 -0.320 30 20 DBED C#CCCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H]1CCS(=O)(=O)N1 1096566426 XVKOVDNGVBVRPX-VOAKCMCISA-N 311.407 -0.577 30 20 DBED CNC(=O)NC(C)(C)C(=O)NC[C@@H](C)Nc1cncc(C#N)n1 1097892163 USHOAAISKQGXIY-SECBINFHSA-N 319.369 -0.028 30 20 DBED CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)CN2CC(=O)NC2=O)C1 1099081579 XOOXWSAKPXEJJT-LRDDRELGSA-N 318.377 -0.468 30 20 DBED C=C(C)CCN1CC[C@@H](NC(=O)CCNC(=O)NC)[C@H](O)C1 1099814066 YYKLJZLQUHMFBU-CHWSQXEVSA-N 312.414 -0.177 30 20 DBED C=CCN1CC[C@@H](NC(=O)C(C)(C)NC(=O)NCC)[C@H](O)C1 1100024312 HIXRJKAJEJHFSC-VXGBXAGGSA-N 312.414 -0.179 30 20 DBED CN(CCNC(=O)C[C@@H]1CCC(=O)N1C)c1ccnc(C#N)n1 1100254191 KXMLSOMNUQFJTR-NSHDSACASA-N 316.365 -0.088 30 20 DBED Cc1cc(C#N)nc(N(C)CCNC(=O)[C@H]2CCN(C)C2=O)n1 1100272990 AGKRQWUDASXQEO-GFCCVEGCSA-N 316.365 -0.313 30 20 DBED C=CCOCC(=O)NCCN(CC)c1ccc2nnnn2n1 1100466609 VGHCYDHEUXKSFK-UHFFFAOYSA-N 305.342 -0.336 30 20 DBED CCN(CCNC(=O)Cn1ncnn1)c1cc(C)ncc1C#N 1100624815 CNFJOQUGDPOBEE-UHFFFAOYSA-N 314.353 -0.109 30 20 DBED C=CCn1cc(C(=O)NCC2CC(NCC(=O)N(C)C)C2)nn1 1100739222 OCHKFSLEVKEUAB-UHFFFAOYSA-N 320.397 -0.350 30 20 DBED N#Cc1ccc(N2CC[C@H](CNC(=O)CNC(N)=O)C2)cn1 1100927857 QXXBMIUEYFBYCT-SNVBAGLBSA-N 302.338 -0.436 30 20 DBED CC[C@H](CNC(=O)[C@@H]1CNC(=O)N1)Nc1ccc(C#N)cn1 1103277556 KSXXLAXADVGFJZ-MNOVXSKESA-N 302.338 -0.059 30 20 DBED C[C@](CNc1cncc(C#N)n1)(NC(=O)CNC(N)=O)C1CC1 1103483281 XVGKLLFPFUZMCK-CQSZACIVSA-N 317.353 -0.287 30 20 DBED CC(C)[C@@H](CNC(=O)Cn1cnnn1)N=c1cc[nH]cc1C#N 1105105988 IJWBAHJKXHQNMX-CYBMUJFWSA-N 314.353 -0.385 30 20 DBED CN(CCN(C)c1ccc(C#N)nn1)C(=O)CCNC(N)=O 1105400840 OXRZDURFWGNPRQ-UHFFFAOYSA-N 305.342 -0.699 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](O)CNC(=O)C2CCOCC2)n1 1105700991 RYNIMDCHHQWYKU-ZDUSSCGKSA-N 319.365 -0.028 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCC(OC2CN(CCO)C2)CC1 1105703908 KOYUPPVPTKXCTE-MRXNPFEDSA-N 312.410 -0.002 30 20 DBED Cc1cc(C(=O)NC[C@H](O)CN=c2cc[nH]cc2C#N)nn1C 1105733095 HXPIQTYNDWQINK-GFCCVEGCSA-N 314.349 -0.380 30 20 DBED CC(=O)N[C@H](C)C(=O)NC[C@H](O)CNc1ccc(C#N)cn1 1105734654 AYELJHQPZZMCEL-BXKDBHETSA-N 305.338 -0.633 30 20 DBED N#Cc1nc(=NC[C@@H](O)CNC(=O)Cc2ccco2)cc[nH]1 1105928503 PTRAKLSLJBSLSL-SNVBAGLBSA-N 301.306 -0.505 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)C2(C(N)=O)CC2)cn1 1106097861 NMWWDYRMVAELCC-LLVKDONJSA-N 303.322 -0.892 30 20 DBED CCN(CCNc1nccnc1C#N)C(=O)CN1CCOCC1 1106723182 HBJSLWLFJPPEAX-UHFFFAOYSA-N 318.381 -0.059 30 20 DBED C=C(C)CCC(=O)NCc1cn(C2CN([C@H](C)C(N)=O)C2)nn1 1107176738 KUZZBUXLWAAPAM-LLVKDONJSA-N 320.397 -0.019 30 20 DBED N#Cc1nc(=NC/C=C/CNC(=O)CN2CCCC2)cc[nH]1 1107199724 FPGOPZGYWGGOAZ-OWOJBTEDSA-N 300.366 -0.050 30 20 DBED C[C@H](CNc1cncc(C#N)n1)NC(=O)[C@@H]1COCCN1C 1107694512 RQCDRZNRSDJRBR-PWSUYJOCSA-N 304.354 -0.405 30 20 DBED C[C@]1(CNC(=O)C#CC2CC2)CN(CC(=O)NC2CC2)CCO1 1107933171 ZYEBTAARRCNZEO-KRWDZBQOSA-N 319.405 -0.115 30 20 DBED Cc1nc(NC[C@@H](C)NC(=O)[C@@H]2CNC(=O)N2)ccc1C#N 1108076818 YEBOVGQSDBIOOW-KCJUWKMLSA-N 302.338 -0.140 30 20 DBED C=CCOCCN1CC(N2C[C@@H](NC(=O)C(F)F)CC2=O)C1 1108493712 WKRQCHUGSTUGSG-JTQLQIEISA-N 317.336 -0.145 30 20 DBED C[C@H](CN(C)c1ccc(C#N)nc1)NC(=O)Cn1cnnc1O 1108944856 JJDJUMHZWYVNNC-SNVBAGLBSA-N 315.337 -0.109 30 20 DBED N#Cc1nc(=NC[C@H]2CCCC[C@H]2NC(=O)CC(N)=O)cc[nH]1 1109336075 ITJLCLIFKQWXTN-GHMZBOCLSA-N 316.365 -0.268 30 20 DBED N#Cc1nc(=NC[C@H](NC(=O)Cn2cncn2)C2CC2)cc[nH]1 1109848321 DWEUINVOHPOTTD-NSHDSACASA-N 312.337 -0.631 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H]1COCCO1 1110306369 LMLWYTBHFZGLJF-KBXIAJHMSA-N 308.378 -0.227 30 20 DBED CC[C@@H](OC)C(=O)NC[C@]1(O)CCN(c2cncc(C#N)n2)C1 1111043933 PIRBEWJBKAOIJQ-IUODEOHRSA-N 319.365 -0.169 30 20 DBED N#Cc1ccc(N2CC[C@](O)(CNC(=O)c3cnn[nH]3)C2)nc1 1111143055 FCEAXMIYUWTNCM-AWEZNQCLSA-N 313.321 -0.557 30 20 DBED Cc1cc(C#N)nc(NCCN(CCO)C(=O)c2cn[nH]c2)n1 1111443913 ANBBMZOQLWEFLE-UHFFFAOYSA-N 315.337 -0.074 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)Cn2cccn2)CC1 1112611258 PFHCHTUCLHPRCG-ZDUSSCGKSA-N 305.382 -0.282 30 20 DBED C#CCO[C@H](C)C(=O)N1CCN([C@@H](C)C(=O)NC(=O)NC)CC1 1112841919 RKFMGSNWRIQFDY-NWDGAFQWSA-N 324.381 -0.987 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCN([C@@H]2CCCN(C)C2=O)CC1 1112846761 XJWFSNAGQYOUJS-UONOGXRCSA-N 307.394 -0.210 30 20 DBED C[C@@H](NC(=O)Cn1nccn1)[C@@H](C)Nc1cncc(C#N)n1 1113173068 JAKWPJFTVKNMNK-NXEZZACHSA-N 300.326 -0.055 30 20 DBED C[C@@H](CNC(=O)c1cnn(C)c1N)N(C)c1nccnc1C#N 1113573240 GQLXSQUZLLXZKJ-VIFPVBQESA-N 314.353 -0.081 30 20 DBED C[C@H](C(=O)NC1[C@H]2CN(CC(=O)NCC#N)C[C@H]12)n1cccn1 1113894380 UFHSTLHYLPVAOI-WOPDTQHZSA-N 316.365 -0.870 30 20 DBED CC(=O)NCCOCCN1C[C@H]2[C@H](NC(=O)[C@H](C)C#N)[C@H]2C1 1114066248 ADRTVPBTKMDDNI-ZZVYKPCYSA-N 308.382 -0.655 30 20 DBED CCOCCNC(=O)CN1C[C@@H]2C(NC(=O)C#CC3CC3)[C@H]2C1 1114252758 BSSIBJAAZDDFOH-KBPBESRZSA-N 319.405 -0.401 30 20 DBED C=C(C)CN1C[C@H]2C(NC(=O)CNS(=O)(=O)CC)[C@@H]2C1 1114364153 RGUGSQFTYHQRGN-GHMZBOCLSA-N 301.412 -0.452 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@@H](CC)N(C)C)[C@H]2C1 1114463758 LKNYTOJYOTZHLZ-COMQUAJESA-N 306.410 -0.878 30 20 DBED N#Cc1cccnc1N1C[C@H]2[C@H](CNC(=O)CNC(N)=O)[C@H]2C1 1114501003 SMHIZZIQWHHVCK-CNDDSTCGSA-N 314.349 -0.580 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)c3n[nH]cc3F)[C@H]2C1 1114787042 KQZKUFDEPLCTKK-UXCLJVHYSA-N 319.340 -0.653 30 20 DBED C=C(C)CN1C[C@H]2[C@H](NC(=O)CS(=O)(=O)N(C)C)[C@H]2C1 1115186257 OROGUTNXVGCKAH-PJXYFTJBSA-N 301.412 -0.500 30 20 DBED C=CCCOCC(=O)NC1[C@H]2CN(CC(=O)N3CCC3)C[C@H]12 1115323972 IXPDQUJFQSKXNV-STQMWFEESA-N 307.394 -0.142 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)Cn3ccnc3)[C@@H]2C1 1115343542 LBMXZLNOQAXYBO-YNEHKIRRSA-N 317.393 -0.380 30 20 DBED C=C(C)CN(C)C(=O)C(=O)N1CC[C@H](S(=O)(=O)NC)C1 1118823579 PIWDCIQOZSRZHB-JTQLQIEISA-N 303.384 -0.829 30 20 DBED CO[C@H](CNC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1)C(C)C 1119136489 JATIVYINTHDGGA-ZIAGYGMSSA-N 322.409 -0.028 30 20 DBED CC#CCn1nnnc1N1CCc2c(nnn2CCOC)C1 1120153222 AKTJFMYNBCARGB-UHFFFAOYSA-N 302.342 -0.503 30 20 DBED C=CCCC(=O)NC[C@@H](CO)Nc1nc(O)c2cnn(C)c2n1 1121198115 OJINIHWXNUXPRD-VIFPVBQESA-N 320.353 -0.076 30 20 DBED COC(=O)c1cnc(N[C@H](CO)CNC(=O)[C@@H](C)C#N)nc1 1121212541 GRESZDUNWHNOLP-WPRPVWTQSA-N 307.310 -0.688 30 20 DBED Cc1cc(=N[C@H](CO)CNC(=O)[C@H]2CCCN2C)c(C#N)c[nH]1 1121243411 VPESPBGKUPWPAG-DZGCQCFKSA-N 317.393 -0.333 30 20 DBED Cn1cncc1CC(=O)NC[C@H](CO)Nc1nccnc1C#N 1121801651 WATBCQKXELKAOK-SNVBAGLBSA-N 315.337 -0.787 30 20 DBED CCN(C)C(C)(C)C(=O)NC[C@H](CO)Nc1cncc(C#N)n1 1122189176 CUPSTTZIKBUMRX-GFCCVEGCSA-N 320.397 -0.032 30 20 DBED COc1ccc(C#N)cc1CNCCNC(=O)CNC(N)=O 1123258524 RIDZCMRPIFVHPW-UHFFFAOYSA-N 305.338 -0.559 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)CC(C)(C)O 1124289987 LXCSWKIMKRXQFB-JTQLQIEISA-N 307.354 -0.838 30 20 DBED CN(C[C@@H](O)CNc1nc(C#N)c(Cl)s1)C(=O)C(N)=O 1124703754 GGZFUGMXLYUKFX-YFKPBYRVSA-N 317.758 -0.615 30 20 DBED Cc1cc(=NC[C@H](O)CN(C)C(=O)CCN(C)C)c(C#N)c[nH]1 1124708315 BZKMRJXUVYRQRW-AWEZNQCLSA-N 319.409 -0.134 30 20 DBED COCCC(=O)N(C)C[C@@H](O)CN(C)c1cnc(C#N)cn1 1124901174 ANLDCTBUGYARJI-LBPRGKRZSA-N 307.354 -0.360 30 20 DBED N#Cc1ccc(C(=O)NCCNC[C@H]2CCS(=O)(=O)C2)[nH]1 1125784141 WZDDOQDKEXMCGB-SNVBAGLBSA-N 310.379 -0.360 30 20 DBED C#CCNC(=O)CC(=O)NCCN[C@H](C)C(=O)N[C@@H](C)CC 1125998732 UNHDUFPBWKXRPY-NWDGAFQWSA-N 310.398 -0.865 30 20 DBED COCCN(CCNC(=O)[C@@H]1CCOC1)c1ccc(C#N)nn1 1126247267 OBKDQVRITYXJBI-GFCCVEGCSA-N 319.365 -0.046 30 20 DBED C#CCOCCC(=O)NCCNCCN1C(=O)NC(C)(C)C1=O 1127027150 KFOXWLYYBMFSIF-UHFFFAOYSA-N 324.381 -0.938 30 20 DBED C#CCCN[C@@H]1CN(C(=O)[C@@H]2CCN(C)C2)C[C@@H]1n1ccnn1 1130123344 OECSNKZLOKLBKH-KFWWJZLASA-N 316.409 -0.405 30 20 DBED Cc1cc(C(=O)N[C@H]2CC[C@@H](C)N(CC(=O)NCC#N)C2)n[nH]1 1131861826 PTPRHUZIVPSOHT-NEPJUHHUSA-N 318.381 -0.059 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)[C@H](COC)OC 1133512712 GYLIJCUXIALYHF-LBPRGKRZSA-N 314.386 -0.884 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@H]1CC12CC(OCC)C2 1133796478 CBBPUMUZQMOUJR-MFOWVQHXSA-N 307.394 -0.353 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)c1n[nH]c(C)c1O 1134088844 BGIBHFGIJCMHGT-NXEZZACHSA-N 321.381 -0.340 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)c1cc(OC)no1 1134139752 SOJZWRWSXWVZHK-GHMZBOCLSA-N 322.365 -0.081 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@@H]1CCCCN1C(C)C 1134763462 ZPKGCARNCFCFDQ-AWEZNQCLSA-N 308.426 -0.296 30 20 DBED CC#CCN[C@H](C)C[C@H](C)NC(=O)c1cn(C)c(=O)n(C)c1=O 1135596147 JZIFNMVXAIKERS-NEPJUHHUSA-N 320.393 -0.406 30 20 DBED C=CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)Cn1cncn1 1136128057 ZSDDWHQLUNFLJH-NWDGAFQWSA-N 308.386 -0.547 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)c1cnns1)C2 1147056307 FGFHESRMTIHTBT-UHFFFAOYSA-N 319.390 -0.565 30 20 DBED C[C@@H](C(=O)NC(N)=O)N1CCC2(CN(C(=O)[C@H](C)C#N)C2)C1 1147256208 OJKWVEWAQBBCDL-ZJUUUORDSA-N 307.354 -0.736 30 20 DBED COCC#CCN1CCC2(C1)CN(C(=O)[C@H](C)CC(N)=O)C2 1148031265 BSFLKNGUQRJNLB-CYBMUJFWSA-N 307.394 -0.318 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)[C@]2(CC)CCNC2=O)C1 1149875431 QUDYVKJQSXJSFO-XJKSGUPXSA-N 307.394 -0.257 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1ccc(C(N)=O)cc1 1150766006 PNKGNZQXXKXZLD-LLVKDONJSA-N 316.361 -0.757 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)NCCNCCCOC 1152398815 KHBFZXRRCURYMD-UHFFFAOYSA-N 300.403 -0.008 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CCCN1C(C)=O 1152777244 ISBYZBZMNQHSDN-DGCLKSJQSA-N 310.398 -0.606 30 20 DBED C=CCCN(CC)[C@H](C)CNC(=O)C[C@H](NC(C)=O)C(N)=O 1155645089 ZOVMAFMWXVEOCJ-YPMHNXCESA-N 312.414 -0.231 30 20 DBED C#CCNC(=O)CC(=O)NCCCNCc1nc(C(C)C)n[nH]1 1156857530 SUHXEPUEIQQVFJ-UHFFFAOYSA-N 320.397 -0.337 30 20 DBED C=CCNC(=O)CNCCCNC(=O)CCCn1ccnn1 1159685851 NYGGJAFYECFHSF-UHFFFAOYSA-N 308.386 -0.544 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)c1ccc(C(N)=O)o1 1162194152 VJNJPDQKOFPHEG-SNVBAGLBSA-N 322.365 -0.221 30 20 DBED CNC(=O)CN1CCC(CNC(=O)C#CC2CC2)(COC)CC1 1162264885 YSEBABWTOQFEHZ-UHFFFAOYSA-N 321.421 -0.009 30 20 DBED C#CCNC(=O)CNCCCC[C@H](C)NC(=O)[C@H]1CCC(=O)N1 1169767819 AYGDTVWIOLVZQL-QWHCGFSZSA-N 322.409 -0.721 30 20 DBED C=CCCCN1CCO[C@H]2CCN(C(=O)CNC(N)=O)C[C@@H]21 1176907952 TZTMJSHXRVQKED-STQMWFEESA-N 310.398 -0.077 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2nccnc2N)C1 1181716540 PKZLBHLYOIJQCQ-GHMZBOCLSA-N 318.381 -0.446 30 20 DBED C#CCNC(=O)CNC[C@H]1CCN(C(=O)COCC)C[C@@H]1C 1183808265 IEBUFHSHMPTHMX-UONOGXRCSA-N 309.410 -0.154 30 20 DBED C#CCNC[C@@H]1CCN(C(=O)CN2CC(=O)N(C)C2=O)C[C@@H]1C 1185493380 VAMPEXZYHIIGLD-STQMWFEESA-N 320.393 -0.412 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@@H]1CCN(C(=O)Cc2cc[nH]n2)C1 1189507463 AVTVWKSPMSRZCQ-GXTWGEPZSA-N 317.393 -0.377 30 20 DBED CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[C@H](N(C)CC#N)C1 1190290049 INQDJABGQCEFTL-QWRGUYRKSA-N 302.400 -0.630 30 20 DBED N#CCNC(=O)CN1CCCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 1197203935 ZVVCPDQLRIEOMP-MCIONIFRSA-N 320.393 -0.272 30 20 DBED CN(C)C(=O)C1(C(=O)N2CCCO[C@H](CNCC#N)C2)CC1 1201833349 KCCVLJAINRUGEN-GFCCVEGCSA-N 308.382 -0.415 30 20 DBED C#CCCNC1CCN(C(=O)C(C)(C)NS(C)(=O)=O)CC1 1202827206 ULXOEWURZIWRCN-UHFFFAOYSA-N 315.439 -0.082 30 20 DBED Cc1cnoc1C(=O)N1CCC(NCC(=O)NCC#N)CC1 1203188261 OUQYAWVAODKVRJ-UHFFFAOYSA-N 305.338 -0.183 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2CCCOC2)C1 1207636317 SHOGIJITHWJOOE-KGLIPLIRSA-N 307.394 -0.257 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@H](NCc2cncn2C)C1 1207869619 IOBGRXTYJOLJRK-ZDUSSCGKSA-N 317.393 -0.360 30 20 DBED N#CCNC(=O)CN[C@H]1CCCN(C(=O)CO[C@H]2CCOC2)C1 1208022074 UGTHTYHDSDVOTM-STQMWFEESA-N 324.381 -0.988 30 20 DBED N#CCNC(=O)CN[C@H]1CCCN(C(=O)CC2=CCOCC2)C1 1209492298 BMEQMDGSZYOTDB-AWEZNQCLSA-N 320.393 -0.056 30 20 DBED CCN(CC)C(=O)CN1C[C@@H](NC(=O)[C@@H](C)C#N)[C@H](OC)C1 1212038985 CGGKOSNUCBMFQX-YNEHKIRRSA-N 310.398 -0.170 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)CC2CCC2)[C@H](OC)C1 1212073938 XOIQVYASTQHCKW-ZIAGYGMSSA-N 307.394 -0.259 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)CC2CCC2)C1 1219415696 DRPKDIPLFBSHAB-BNOWGMLFSA-N 307.394 -0.524 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)c2cc(OC)no2)C1 1219485990 XVKGHSBDDIUVGD-MNOVXSKESA-N 311.338 -0.339 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(CCCN2CCCC2=O)C[C@@H]1O 1219523149 ALVXYHGKLTTZHL-CABCVRRESA-N 321.421 -0.036 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(Cc2cc(C)ncn2)C[C@@H]1O 1219536543 TUBHLJXDTHDDRW-IJEWVQPXSA-N 320.393 -0.227 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(CC(=O)N[C@H](C)C2CC2)C[C@@H]1O 1219541819 QZWWVCOMZMOBED-YUELXQCFSA-N 321.421 -0.134 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2cncc(F)c2)C[C@@H]1O 1219613581 LQULXLKSRGJMPJ-CABCVRRESA-N 321.352 -0.078 30 20 DBED C[C@@H](C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@@H]1O)C1CCC1 1219862443 LCGNHBQPDGKUGG-RTXFEEFZSA-N 308.382 -0.776 30 20 DBED C=C[C@@](C)(CCOC)C(=O)N[C@@H]1CN(CCCO)C[C@@H]1O 1220075956 MLXOZRSMPNCZBO-IPYPFGDCSA-N 300.399 -0.241 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@@H](OC)c2cnn(C)c2)C1 1220082328 QJVCHWNGOVKAQR-RDBSUJKOSA-N 306.366 -0.708 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCN(C)[C@@H](C)C2)C1 1220220555 VMVIJSNWQVNYIZ-JONQDZQNSA-N 323.437 -0.472 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H](C)C2CCCC2)C1 1220728616 SMYKLUAQQBVGCA-CFVMTHIKSA-N 321.421 -0.277 30 20 DBED C[C@H]1CC[C@H](C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@@H]2O)CC1 1220809153 KHZFLLUFMIXVRR-SYQHCUMBSA-N 322.409 -0.386 30 20 DBED Cc1ocnc1C(=O)N1C[C@H]2CCN(CC(=O)NCC#N)C[C@H]21 1221354519 XMFFXLOYYYLSJR-VXGBXAGGSA-N 317.349 -0.231 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@H]2CCN(CCn3cncn3)C[C@H]21 1221544848 KCCSVIRGXRSOJX-RBSFLKMASA-N 317.393 -0.151 30 20 DBED C#CCN1CC[C@@H]2CCN(C(=O)COCc3nncn3C)C[C@@H]21 1223807725 OHZUXZRTWKJLQO-KGLIPLIRSA-N 317.393 -0.112 30 20 DBED COCC#CCN1CCC(NC(=O)c2ccc(=O)n(C)n2)CC1 1230190002 ICCWGQVUJHZFGD-UHFFFAOYSA-N 318.377 -0.376 30 20 DBED CSCC(=O)NCC[C@@H]1CN(CC#N)CCS1(=O)=O 1230416870 UABIDWDJLWNJTD-SNVBAGLBSA-N 305.425 -0.522 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)CC1(O)CCC1 1234151814 QRLCRJYZSOELKG-ZDUSSCGKSA-N 307.394 -0.426 30 20 DBED Cc1ccc(C(=O)N(C)C[C@@H]2CCN2CC(=O)NCC#N)nn1 1234163074 XLGGCTOZXRUOPH-LBPRGKRZSA-N 316.365 -0.429 30 20 DBED C#CCN(CC1CC1)C(=O)c1cn(C[C@@H]2CNC(=O)O2)nn1 1262018129 XKDIIQWLXGJDGH-NSHDSACASA-N 303.322 -0.128 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)COCC(F)F)C1 1266540658 BUSZVFBMNYOQDS-JTQLQIEISA-N 305.325 -0.239 30 20 DBED C[C@@H](CN1CCCC1=O)NC(=O)C(=O)N1CC[C@@](F)(C#N)C1 1321874624 PYRLVZGAXSMHFR-IINYFYTJSA-N 310.329 -0.422 30 20 DBED CCC[C@H](O)CNC(=O)NCCN/C(O)=C1/N=CC=CC1=O 1322883543 WJYZYMRRQOLGBR-AGKQBQDBSA-N 310.354 -0.027 30 20 DBED C#CCOCCNC(=O)C(=O)NCc1cccc(OCC#N)c1 1324650921 IGWPCZOIUJELRT-UHFFFAOYSA-N 315.329 -0.029 30 20 DBED C=CCC1(O)CCN(C(=O)C(=O)NCc2cnn(C)c2)CC1 1332106143 RTLZDZXKDCHUDP-UHFFFAOYSA-N 306.366 -0.034 30 20 DBED CO[C@H]1CCCN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)CC1 1333182780 UMIBJKJCDLUWNZ-SWLSCSKDSA-N 309.366 -0.109 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N1CC[C@@H](n2cncn2)C1 1336593919 FXRIQWISQPMYNL-CHWSQXEVSA-N 319.365 -0.404 30 20 DBED CNC(=O)[C@H](C#N)C(=O)CN(C)S(=O)(=O)c1cccnc1 1342608982 ZJQFKMRURHBVAP-SNVBAGLBSA-N 310.335 -0.843 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)N2CC[C@H]([C@@H]3CCOC3)C2)C1 1345972179 LLSPCPSOLWPSCF-ZENOOKHLSA-N 321.377 -0.252 30 20 DBED COCC1CCN(C(=O)C(=O)N2CCN(CCC#N)CC2)CC1 1348599783 RFKWCMVNKXDWBG-UHFFFAOYSA-N 322.409 -0.071 30 20 DBED C#CCNCC(=O)N[C@@H](C)CN1CCN(c2ccccn2)CC1 1353559059 KQGKSPFHYYDAGQ-HNNXBMFYSA-N 315.421 -0.069 30 20 DBED N#CCc1ccc(C(=O)N2C[C@H](C(N)=O)[C@@H](C(N)=O)C2)cc1 1364209832 ROCLYJSEOVESBI-RYUDHWBXSA-N 300.318 -0.589 30 20 DBED COC1CC(C(=O)N2CCN(CCNC(=O)[C@H](C)C#N)CC2)C1 1372219309 MGMJSLZYTLPMCU-IYXRBSQSSA-N 322.409 -0.169 30 20 DBED C=C(Cl)CNC[C@@H](O)CNC(=O)c1cccc(C(N)=O)n1 1379290729 KLWCTXARHCKVLU-SECBINFHSA-N 312.757 -0.387 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]1CNC(=O)CN(C)C(=O)C1CC1 1389660839 GRVQHBJJIWHDAY-ZYHUDNBSSA-N 306.366 -0.268 30 20 DBED CCN(CCNC(=O)[C@@H]1COC(=O)N1)C(=O)c1c[nH]c(C#N)c1 1408737766 NCOJKZRIPNYCAY-NSHDSACASA-N 319.321 -0.427 30 20 DBED C[C@@H](CNC(=O)c1cnc2c(c1)nnn2C)NC(=O)[C@@H](C)C#N 1410455669 XGXKGVKGSQGEAU-IUCAKERBSA-N 315.337 -0.243 30 20 DBED Cc1cnc(C(=O)N(C)C[C@@H](O)CNC(=O)[C@@H](C)C#N)cn1 1413207597 PVQIBLQLHAXCLW-ONGXEEELSA-N 305.338 -0.506 30 20 DBED C[C@@H](CNC(=O)c1ccnc2c1nnn2C)NC(=O)[C@H](C)C#N 1415262196 NQJFGBWXXHGTOR-BDAKNGLRSA-N 315.337 -0.243 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H](CNC(=O)C2(NC(N)=O)CC2)C1 1447600316 UVFUNTHNIFSZFC-QWRGUYRKSA-N 321.381 -0.298 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@@H](CO)[C@H]1CCOC1 1463432014 QHZOZPJQDGGLBN-RYUDHWBXSA-N 321.399 -0.920 30 20 DBED N#CCNC(=O)CN1CC[C@@H](NC(=O)c2ccc(F)nc2)C1 1479948621 SODQDPSAVZLWRW-LLVKDONJSA-N 305.313 -0.335 30 20 DBED CCOc1ncccc1C(=O)NC[C@@H](O)CNC(=O)[C@H](C)C#N 1501605470 MNYHBTDHKQZYRM-MNOVXSKESA-N 320.349 -0.153 30 20 DBED C=CCOC[C@H](NC(=O)[C@H](NC(=O)C1CC1)[C@@H](C)O)C(=O)O 1573369386 RSJGLSMYYNVTSM-DVVUODLYSA-N 314.338 -0.966 30 20 DBED N#CCC1(CS(=O)(=O)N2C[C@@H](O)C[C@@H](C(=O)O)C2)CC1 1601062506 JIMALINPYYWQKQ-ZJUUUORDSA-N 302.352 -0.223 30 20 DBED N#Cc1cccc(NC(=O)C(=O)N2CCC[C@@H](O)[C@H]2C(=O)O)n1 1601123050 YNWKOUPEGORYHD-KOLCDFICSA-N 318.289 -0.672 30 20 DBED C=CCN1CC[C@H](N(C)S(=O)(=O)CCCC(=O)O)C1=O 1602898730 WOWIIQBTWJDUNO-JTQLQIEISA-N 304.368 -0.100 30 20 DBED Cn1c(=O)[nH]c(N[C@H](C[C@H]2CCCOC2)C(=O)O)c(C#N)c1=O 1608075464 DCIFTKNJYKIALW-PSASIEDQSA-N 322.321 -0.373 30 20 DBED CCN(CCS(C)(=O)=O)C(=O)NCCn1cnc(C#N)n1 1647189421 OFYINTCVKLLBFJ-UHFFFAOYSA-N 314.371 -0.774 30 20 DBED CNC(=O)NCC(=O)N(C)C1CCN(CC#CCOC)CC1 1752301304 IFKNPISBJKSAPF-UHFFFAOYSA-N 310.398 -0.512 30 20 DBED Cn1c(C(=O)NCCCN2CCN(CC#N)CC2)cnc1O 1752350625 YLVLEMWTHWSCHJ-UHFFFAOYSA-N 306.370 -0.613 30 20 DBED C=CCN1CC[C@H](N[C@H](C)CNC(=O)Cc2ccn(C)n2)C1=O 1752872131 APZSBQFCJTYCCR-OCCSQVGLSA-N 319.409 -0.156 30 20 DBED C=CCNC(=O)NC(=O)CN[C@H](C)CNC(=O)c1cncn1C 1752883467 HZAKOMTVDKMIER-SNVBAGLBSA-N 322.369 -0.860 30 20 DBED C#CCNC(=O)CNC[C@@H]1CCN(C(=O)C(=O)C(C)(C)C)C1 1752931976 CTKYLRKINIBAPR-LBPRGKRZSA-N 307.394 -0.211 30 20 DBED C=CCNC(=O)[C@@H](C)N(C)C[C@H]1CCN(C(=O)CNC(C)=O)C1 1753346764 LRWDRPHOANQDPZ-TZMCWYRMSA-N 324.425 -0.407 30 20 DBED Cc1cc(C(=O)N(C)[C@@H]2CCN(CC(=O)NCC#N)C2)ncn1 1753435696 WUZYQKMAAISOTH-GFCCVEGCSA-N 316.365 -0.429 30 20 DBED C#CCNC(=O)CN1CC[C@H](N(C)C(=O)[C@H](C)NC(=O)CC)C1 1753436153 GARKVFGLIZYQBR-STQMWFEESA-N 322.409 -0.817 30 20 DBED CC#CCN[C@H](CC)CNC(=O)CCCN1C(=O)CNC1=O 1753494428 DWSMCKRMYWSOET-GFCCVEGCSA-N 308.382 -0.174 30 20 DBED C[C@H]1CN(C(=O)Cc2ccon2)CC[C@@H]1NCC(=O)NCC#N 1753769332 PNGPRZDCUBQFLF-AAEUAGOBSA-N 319.365 -0.317 30 20 DBED C=CCN1CC[C@@H](NC/C=C\CNC(=O)Cc2nc[nH]n2)C1=O 1754194873 ZGXMYNHLKWXNOT-VSQXVHSFSA-N 318.381 -0.604 30 20 DBED N#CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)CCCN1C(=O)CCC1=O 1754424813 FLPQJWQUSQRJKJ-JRPNMDOOSA-N 304.350 -0.372 30 20 DBED C#CCNC(=O)[C@@H](C)NC1(CNC(=O)Cn2ccnc2)CC1 1754536923 GYDKCTKBOPZHRX-GFCCVEGCSA-N 303.366 -0.741 30 20 DBED C=CCNC(=O)CN1CC(N(C)C(=O)CN(C)C(=O)C2CC2)C1 1754576307 GXKADHRUBQNABY-UHFFFAOYSA-N 322.409 -0.700 30 20 DBED C#CCCN1CC[C@@](O)(CNC(=O)[C@@]2(C)CCN(C(C)=O)C2)C1 1754761541 YTNFLXTVHPFWIX-DLBZAZTESA-N 321.421 -0.179 30 20 DBED C#CCNC(=O)CN1CC(O)(CNC(=O)C(C2CC2)C2CC2)C1 1754778165 QARFCPZFAQTQLX-UHFFFAOYSA-N 319.405 -0.665 30 20 DBED Cc1cnc2nc(C(=O)NCCOCCN(C)CC#N)nn2c1 1755540775 NQYHPOIUPNFUEY-UHFFFAOYSA-N 317.353 -0.366 30 20 DBED Cc1ccc([C@H](C)C(=O)NC[C@@H](CO)NCC(=O)NCC#N)o1 1755640763 PXIOWELDEILJBQ-RYUDHWBXSA-N 322.365 -0.602 30 20 DBED C#CCNC(=O)CN(C)C[C@@H](O)CN(C)C(=O)c1cscn1 1755799569 PXTAOWYAGUDPIQ-LLVKDONJSA-N 324.406 -0.743 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](O)[C@H](NC(=O)CCC2CC2)C1 1756986988 QPOKRMSCTDUMHE-CHWSQXEVSA-N 321.377 -0.996 30 20 DBED CN(CCC#N)S(=O)(=O)N1CC[C@@H](N2CCC(N)CC2)C1 1771747843 QYIRUEYWOGMVNS-CYBMUJFWSA-N 315.443 -0.426 30 20 DBED CC[C@H](NC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC#N)C[C@@H]21 1786966655 DBPQMQQRPOSOFQ-XUXIUFHCSA-N 322.409 -0.122 30 20 DBED C[C@@H](CC(N)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC#N 1795078693 LFESSMUVEGYQTL-DYNIEEOBSA-N 322.365 -0.999 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)C(C)(C)C)C2 1800451140 YAUXGRXSHCBGPG-ZMJPVWNMSA-N 308.378 -0.384 30 20 DBED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)=O)C2)C1 1840172326 HDBKJGKYTNRZTL-HNNXBMFYSA-N 310.350 -0.392 30 20 DBED CS(=O)(=O)NCCNC(=O)C(=O)Nc1ccc(C#N)cc1 41403888 PZJDPKUITXUJQE-UHFFFAOYSA-N 310.335 -0.838 30 20 DBED CN(CCC#N)S(=O)(=O)N1CCN(c2nccn2C)CC1 90188378 WRGFZHHUJRTSQF-UHFFFAOYSA-N 312.399 -0.368 30 20 DBED CN1CC[C@H](C(=O)N(CCC#N)CCN2CCOCC2)CC1=O 195166781 PQRYXJXWORCHMM-AWEZNQCLSA-N 322.409 -0.071 30 20 DBED N#C[C@H]1COCCN1C(=O)CNS(=O)(=O)c1cccs1 266038874 AHRZCGYPSRXVSY-VIFPVBQESA-N 315.376 -0.223 30 20 DBED N#C[C@H]1COCCN1C(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1 268062752 AODSEVHUMGPZMQ-CABZTGNLSA-N 322.346 -0.533 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCC[C@@H]2CCO)C1=O 275135251 MZAYYZLGBUXVBF-MNOVXSKESA-N 323.349 -0.370 30 20 DBED NC(=O)[C@@H]1CC(C(=O)NCC#CCO)=NN1c1ccccc1 282862525 HPGFBTBREDKCJU-ZDUSSCGKSA-N 300.318 -0.782 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N[C@H](C)CN1CCOCC1 330384595 ZQNUOKCTMBGZLO-NWDGAFQWSA-N 304.416 -0.367 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CCNC(=O)[C@H]1C(C)C 337054027 AAXSETNDUYHXTI-LLVKDONJSA-N 302.400 -0.077 30 20 DBED C=CCN1CC[C@H](N2CCC[C@@H](CNS(N)(=O)=O)C2)C1=O 337189653 RGLVNVSHEDHJKF-RYUDHWBXSA-N 316.427 -0.722 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1C[C@H](OC)[C@@H](OC)C1 337194524 VJUXNKGTBJJTOP-RYUDHWBXSA-N 321.399 -0.561 30 20 DBED N#Cc1ncn(CC(=O)N(CCO)CCOCC(F)(F)F)n1 339766660 INYASSBNQHPXNM-UHFFFAOYSA-N 321.259 -0.450 30 20 DBED N#Cc1ccc(NCC(=O)NCCC2(O)CCOCC2)nc1 341400149 BBRCIZWUTZLXQL-UHFFFAOYSA-N 304.350 0.413 30 20 DBED C[C@H]1CN(S(=O)(=O)CCCCC#N)CCN1S(C)(=O)=O 345256603 PXGQHKFQPAZZBT-NSHDSACASA-N 323.440 -0.024 30 20 DBED C=C[C@H](CO)NC(=O)CNS(=O)(=O)c1c[nH]c2ncccc12 356857070 FUIMJSFGUXVHEH-SECBINFHSA-N 324.362 -0.496 30 20 DBED CN(CCC#N)S(=O)(=O)NCCCN1C(=O)CCC1=O 358156613 LPUAQJJDDAWOAF-UHFFFAOYSA-N 302.356 -0.795 30 20 DBED C=CCNC(=O)NC(=O)CN1CCS(=O)(=O)C[C@H](C)C1 365454103 USBLSVIWXOMQQD-SNVBAGLBSA-N 303.384 -0.635 30 20 DBED C=CCCn1cc(C(=O)N2CCC[C@@H](C(=O)NCCN)C2)nn1 424057735 JXXNMTZROXKOEY-GFCCVEGCSA-N 320.397 -0.219 30 20 DBED C#CCN1CCN(C(=O)CN(C)CCOCCCOC)CC1 490924470 PNAYTRSEKHEPGL-UHFFFAOYSA-N 311.426 -0.251 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)C[C@H]2CCCC[C@@H]2O)CC1 491639868 ZNZFNRXKTLVDIG-CABCVRRESA-N 321.421 -0.179 30 20 DBED C#CCNC(=O)CN1CCN(Cc2cncc(OC)c2)CC1 491785854 NUTRAJVWOACKBS-UHFFFAOYSA-N 302.378 -0.043 30 20 DBED CN(Cc1ccccc1)C(=O)CNC(=O)Cn1cnc(C#N)n1 494451431 GSZMFDHHXWLXTC-UHFFFAOYSA-N 312.333 -0.075 30 20 DBED N#Cc1nc(=NCCN2CCN(c3ncccn3)CC2)cc[nH]1 565220067 CAAHEFICRUABPM-UHFFFAOYSA-N 310.365 -0.206 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C)C[C@H]2CC)C1=O 576255175 KZSKWVOHRFHRNN-LLVKDONJSA-N 322.365 -0.484 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)Nc2n[nH]c(C)c2C#N)C1=O 588714848 BGMVXQFBCMYUBG-UHFFFAOYSA-N 316.277 -0.495 30 20 DBED N#CC1CN(C(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)C1 590487731 UFZRUUDZPURMAB-WFFHOREQSA-N 303.318 -0.479 30 20 DBED COC(=O)[C@H]1C[C@H](O)CN(S(=O)(=O)CC2(C#N)CC2)C1 592110028 AMGFGJBYWAVBHJ-UWVGGRQHSA-N 302.352 -0.524 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@H](O)CC(=O)OC 599463012 UQTCJIFCSHOZAU-NXEZZACHSA-N 307.372 -0.774 30 20 DBED N#CCCN1CCN(C(=O)C(=O)N2CCC(CO)CC2)CC1 601424283 FBUSIIVXABZZNE-UHFFFAOYSA-N 308.382 -0.725 30 20 DBED COC[C@@H]1CCN(C(=O)C(=O)N2CCN(CCC#N)CC2)C1 601456269 HBDZPARORHWBLE-CYBMUJFWSA-N 308.382 -0.461 30 20 DBED C=CCNC(=O)CNc1cnc(NCC(=O)NCC=C)cn1 663775955 ISIMPOYSLGRVQY-UHFFFAOYSA-N 304.354 -0.095 30 20 DBED C=C[C@](C)(O)C(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 665457414 DTCVRGWDJFTEIU-AAEUAGOBSA-N 302.396 -0.745 30 20 DBED O=C(COC(F)F)NCC#CCNC(=O)COC(F)F 671793362 BPJYSKUPCLBLHG-UHFFFAOYSA-N 300.208 -0.299 30 20 DBED CN1CCN(C)[C@H](CNc2cccc(S(N)(=O)=O)c2C#N)C1 755003866 HUKWNSRRWUQTKZ-LLVKDONJSA-N 323.422 -0.137 30 20 DBED Cn1c(=O)c2c(ncn2CC(=O)OC2(C#N)CCC2)n(C)c1=O 762099937 LHVPAKGPLYKVKK-UHFFFAOYSA-N 317.305 -0.577 30 20 DBED C[C@@H]1CN(C(=O)C(=O)NCCNc2ncccc2C#N)CCO1 774176690 KRTSPRDFOIEOSC-LLVKDONJSA-N 317.349 -0.271 30 20 DBED C#CCC[C@H](O)CNC(=O)NCCNC(=O)c1cccnc1 798362476 XPRPEXNXRCWVIC-ZDUSSCGKSA-N 304.350 -0.115 30 20 DBED C=CCN1CC[C@@H](OC(=O)CN2CCCS2(=O)=O)C1=O 798599136 PBRNLSUIESSSFL-SNVBAGLBSA-N 302.352 -0.648 30 20 DBED C#CCC[C@H](O)CNC(=O)c1ccc(CS(N)(=O)=O)cc1 799074003 YESRFFPGPSHBHT-ZDUSSCGKSA-N 310.375 -0.021 30 20 DBED N#Cc1ccccc1OCC(=O)OCCn1cc(C(N)=O)nn1 805940698 YQMDMUQVCCYEPL-UHFFFAOYSA-N 315.289 -0.129 30 20 DBED C[C@@H](C#N)CN(C(=O)Cn1cnc(-c2nn[nH]n2)n1)C1CC1 824034173 HTBYBLBQHSCNJT-QMMMGPOBSA-N 301.314 -0.391 30 20 DBED N#C[C@H]1CNC[C@H]1NC(=O)c1ccc(N2CCOCC2)nc1 834515879 CXLVXPLUELTPOE-QWHCGFSZSA-N 301.350 -0.240 30 20 DBED CCCN1CC[C@@H](NC(=O)C(=O)Nc2cnn(CC#N)c2)C1 850683895 VKJBVOAHFXWWGE-LLVKDONJSA-N 304.354 -0.054 30 20 DBED C#CCCN(CCOC)C(=O)[C@H]1CC(=O)N(CCN(C)C)C1 856388132 LGELCDXWWNWKAI-AWEZNQCLSA-N 309.410 -0.105 30 20 DBED C#CCOc1ccc(NC(=O)C(=O)NC[C@H]2COCCN2)cc1 861519837 RINPNXNBKNBOSD-ZDUSSCGKSA-N 317.345 -0.258 30 20 DBED C=C(Br)CNC(=O)C(=O)NC[C@@H]1COCCN1 861802050 DGZSDSDWMXFJCA-MRVPVSSYSA-N 306.160 -0.884 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N[C@@H](C)CN1CCCC1=O 875128303 SWNLHDINDFEKBA-QWHCGFSZSA-N 323.393 -0.342 30 20 DBED C#CCN1CCC[C@H](NC(=O)N2CCN3C(=O)NC[C@H]3C2)C1 890368295 GKXIQTVKASTCBB-STQMWFEESA-N 305.382 -0.497 30 20 DBED Cn1c(N2CC[C@H](C3OCCO3)C2)c(C#N)c(=O)n(C)c1=O 895520025 NBJNEUGUGLMBLF-VIFPVBQESA-N 306.322 -0.845 30 20 DBED C#CCN(CC(=O)NCCNC(=O)NC)C(=O)OC(C)(C)C 910889278 VOVVSJJJBDWLML-UHFFFAOYSA-N 312.370 -0.098 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N1CCN(C(=O)C2CC2)C1 921898256 YULYBMFKMPIYJF-UHFFFAOYSA-N 315.395 -0.192 30 20 DBED CC(C)c1nnnn1CC(=O)N[C@H]1CCN(C(=O)[C@H](C)C#N)C1 938018198 YENCNBJAQMXFHH-MNOVXSKESA-N 319.369 -0.327 30 20 DBED C[C@]1(C(=O)N[C@@H]2CCN(C(=O)C#CC3CC3)C2)CNC(=O)C1 941625296 WFRDDNVYBIHWOO-MLGOLLRUSA-N 303.362 -0.357 30 20 DBED CC(=O)N1CC(C(=O)NC[C@H]2CCCN2C(=O)C#CC2CC2)C1 944007248 AXYBXFBPKSXCBO-OAHLLOKOSA-N 317.389 -0.015 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)C[C@H]1C 948011330 HULSVCVRRGMGSD-CHWSQXEVSA-N 320.393 -0.127 30 20 DBED Cc1c(C(=O)NC[C@@H]2CCN2C(=O)C#CC2CC2)nnn1C 949213729 CHMVQAHETBPUKW-LBPRGKRZSA-N 301.350 -0.132 30 20 DBED CN1CCOC[C@@H]1C(=O)NC[C@H]1CCN1C(=O)C#CC1CC1 949482778 YEMYBSRGQXOXKM-ZIAGYGMSSA-N 305.378 -0.553 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2ccnc3c2nnn3C)C1 958351033 WYVNVGBPUZHNQP-CMPLNLGQSA-N 314.349 -0.981 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2nn(C)c3c2CCCC3)C1 958408143 FIZROPZILWZPPO-DOMZBBRYSA-N 316.405 -0.045 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2cnc(C3CC3)nc2O)C1 958467822 NKEYMMXLFJLVPI-DGCLKSJQSA-N 316.361 -0.285 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)[C@H]1CN(C(=O)CCC)C[C@@H]1O 958878515 WMSILEDFTQBXTQ-KKUMJFAQSA-N 321.421 -0.086 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CC2=CCOCC2)C1 958949969 DKYRRTJHZSMGFF-XBFCOCLRSA-N 321.377 -0.087 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cnn(C)c1 960000173 CQECUHYBNWSVRG-KGYLQXTDSA-N 317.349 -0.368 30 20 DBED O=C(N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O)c1cccc(O)n1 962073501 WZIXQUSPEIDKRJ-OLZOCXBDSA-N 315.329 -0.498 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCOC3)C[C@@H]2O)c[nH]1 962387418 DIMDCRXIILZKPG-WQAKAFBOSA-N 318.333 -0.776 30 20 DBED C[C@@H]1CCN(CC#N)C[C@H]1NC(=O)CN1CCN(C)C(=O)C1 967034635 RZIKTLINPRPIMM-CHWSQXEVSA-N 307.398 -0.889 30 20 DBED C[C@@H](NC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1)C1CN(CC#N)C1 969667346 JDIOUVXKVNARRZ-GHMZBOCLSA-N 316.365 -0.277 30 20 DBED C=C(C)CCN1CC([C@@H](C)NC(=O)c2cn(CC(N)=O)nn2)C1 970922775 AZHULPWYLXXRFC-LLVKDONJSA-N 320.397 -0.220 30 20 DBED CC#CCN1C[C@H]2CC[C@H]1CN2C(=O)CN1CCN(C)C(=O)C1 971535694 GUVCIAGXRYLECP-LSDHHAIUSA-N 318.421 -0.541 30 20 DBED C=C(C)CN1C[C@H]2CC[C@H]1CN2C(=O)[C@@H]1CC(=O)NC(=O)N1 971867024 POPMSSPTKWRBST-TUAOUCFPSA-N 306.366 -0.164 30 20 DBED C#CCCN1C[C@@H](NC(=O)Cn2ccc(O)nc2=O)C(C)(C)C1 974780098 DGWOIUKLPYZSFB-GFCCVEGCSA-N 318.377 -0.201 30 20 DBED CC#CCN1C[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C(C)(C)C1 975100716 GHRNRDXGBXEJPE-QWRGUYRKSA-N 306.366 -0.566 30 20 DBED C#CCN[C@H]1CCC[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 981359165 CRXSOXDWSHIMJS-RYUDHWBXSA-N 318.377 -0.652 30 20 DBED N#Cc1cc(C(=O)NC[C@H]2CCN(C(=O)c3cnn[nH]3)C2)c[nH]1 982963485 MJJJZUXEESGYFL-SECBINFHSA-N 313.321 -0.103 30 20 DBED CC(=O)NCc1nc(O)cc(CNC(=O)c2c[nH]c(C#N)c2)n1 984125301 FOBOIQXDWCQLMM-UHFFFAOYSA-N 314.305 -0.052 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](CN(C)C(=O)c2ncn(C)n2)C1 988283748 HMMVJZMLSGBANU-QWRGUYRKSA-N 304.354 -0.105 30 20 DBED C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)CN2C(=O)CNC2=O)C1 989766675 SLXMVIRLFNVXLH-NXEZZACHSA-N 314.773 -0.130 30 20 DBED C=CCCn1cc(C(=O)N2CC(NC(=O)[C@H]3CCCO3)C2)nn1 990169618 LDCFASBNHYYNAT-CYBMUJFWSA-N 319.365 -0.026 30 20 DBED N#Cc1ccc(C(=O)NC2CN(C(=O)CN3CCOCC3)C2)[nH]1 990888123 HPHCBXFHEQKPDK-UHFFFAOYSA-N 317.349 -0.841 30 20 DBED N#Cc1cc(C(=O)NC2CN(C(=O)C[C@H]3CCNC3=O)C2)c[nH]1 990935288 MAQBGTWZTXIYAI-SECBINFHSA-N 315.333 -0.647 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)c2cnnn2C)C1 991113767 VYTFSTKNJSHYBH-PWSUYJOCSA-N 305.338 -0.653 30 20 DBED O=C(Cc1cc[nH]n1)N[C@@H]1CCN(C(=O)C#CC2CC2)C[C@H]1O 991366784 UNDMZXWNDWFQKQ-ZIAGYGMSSA-N 316.361 -0.556 30 20 DBED CC#CCN1CCC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@H]1C 993332057 GPHAVXLEIOMEEY-VXGBXAGGSA-N 318.381 -0.631 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)c2ccc(C(N)=O)nc2)C1 994924886 YOWZBVMBCCKQIL-QMMMGPOBSA-N 301.306 -0.719 30 20 DBED C=CCOc1ccc(C(=O)NC2CN(C(=O)C(N)=O)C2)cc1 995129378 YJKXATGTTBVIHH-UHFFFAOYSA-N 303.318 -0.323 30 20 DBED O=C(CN1CCCCC1=O)NC1CN(C(=O)C#CC2CC2)C1 995185001 NKPJJKNPGOVEHW-UHFFFAOYSA-N 303.362 -0.261 30 20 DBED CNC(=O)c1ccc(C(=O)NC2CN(C(=O)[C@@H](C)C#N)C2)cn1 996508807 NFBDUUGZPYAISU-VIFPVBQESA-N 315.333 -0.459 30 20 DBED C=CCNC1CC(N(C)C(=O)c2cn(C)c(=O)n(C)c2=O)C1 999501264 RZSJQMVMDALBEA-UHFFFAOYSA-N 306.366 -0.537 30 20 DBED Cc1ncnc(O)c1C(=O)NCC1CN(C(=O)[C@@H](C)C#N)C1 1003764335 VZPKUIHJJNXLGR-QMMMGPOBSA-N 303.322 -0.162 30 20 DBED C=CCN1CCC[C@@H](NC(=O)C2CC3(C2)NC(=O)NC3=O)C1 1008846554 OSVFRJSJCPQAJO-LOIXOFCESA-N 306.366 -0.259 30 20 DBED C[C@H]1CC[C@@H](NC(=O)C(N)=O)CN1C(=O)c1ccc(C#N)[nH]1 1018375027 ZKKBYIXZBVTJFP-WCBMZHEXSA-N 303.322 -0.519 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(CN(C(=O)c3cnnn3C)C2)C1 1018984590 AYPSKJZTFMDMDT-JTQLQIEISA-N 302.338 -0.351 30 20 DBED Cc1nc(C(=O)N[C@H]2C[C@H](NCC#N)C2)nn1-c1nc[nH]n1 1020449619 OQFOKQZABVDNSY-KYZUINATSA-N 301.314 -0.932 30 20 DBED C=C(Br)CN[C@H]1C[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 1020531593 WUEMTRXTICJOCA-IWSPIJDZSA-N 317.187 -0.187 30 20 DBED C#CCN1CCC(C(=O)N[C@H]2C[C@H](N[C@H]3CCNC3=O)C2)CC1 1021092326 KMGCASJSIUSTIZ-KKUMJFAQSA-N 318.421 -0.543 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2C[C@@H](N[C@@H]3CCC(=O)NC3=O)C2)[nH]1 1021980942 CQLJHQLSKWZQNZ-JFGNBEQYSA-N 315.333 -0.458 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CN(C(=O)c3ccc[nH]3)C[C@H]2O)c1 1023327916 USQQSIFFFDFUCO-CHWSQXEVSA-N 313.317 -0.170 30 20 DBED C=CCCN1[C@H]2CC[C@H]1CN(C(=O)c1cn(CC(N)=O)nn1)C2 1029597987 SOWUOMRYOPTSDZ-RYUDHWBXSA-N 318.381 -0.372 30 20 DBED CC#CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1 1032623351 JMKJGORHIGEYLM-ZQDZILKHSA-N 319.405 -0.069 30 20 DBED C=C(Cl)CN1CC[C@@H](N(C)C(=O)Cn2ncn(C)c2=O)C1 1033202984 AIRASEJSTHBMDS-LLVKDONJSA-N 313.789 -0.133 30 20 DBED CC#CCN1CCCC[C@@H](NC(=O)CN2CC(=O)NC2=O)C1 1034447685 IYKLMCJSXAMULA-GFCCVEGCSA-N 306.366 -0.468 30 20 DBED CC#CCN1CCO[C@H](CNC(=O)c2cc(OC)n(C)n2)C1 1035437380 DOBPDKLPBKUSIQ-GFCCVEGCSA-N 306.366 -0.117 30 20 DBED C#CCN1CC2(CCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)CC2)C1 1035807960 OKCNOKTZWBJXEI-NSHDSACASA-N 304.350 -0.858 30 20 DBED CC[C@H]1CN(C(=O)c2nnc(O)nc2O)CC[C@@H]1NCC#N 1037887413 DTKXMIBETPHGJB-IUCAKERBSA-N 306.326 -0.363 30 20 DBED C#CCCCC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H](C)CC(N)=O)C1 1039580700 YPQBSARKIOZOLF-LRDDRELGSA-N 323.393 -0.619 30 20 DBED C#CCN1[C@H]2CCC[C@H]1CN(C(=O)Cn1c(O)nnc1O)C2 1039983875 OYHCMQFCWHDHPW-QWRGUYRKSA-N 305.338 -0.612 30 20 DBED N#Cc1nccnc1NC[C@H]1C[C@H]2CC[C@H]1N(C(=O)C(N)=O)C2 1040020056 ZHXSMLGDDMTYDH-CKYFFXLPSA-N 314.349 -0.127 30 20 DBED Cc1cnn(C)c1C(=O)N1CC[C@](O)(CNC(=O)[C@@H](C)C#N)C1 1040770931 WBJRQXYIDKESRW-BONVTDFDSA-N 319.365 -0.419 30 20 DBED Cn1cnc(C(=O)N[C@@H]2CN(c3ccncc3C#N)C[C@H]2O)c1 1040986818 BYCUVCZFYDLJOW-BXUZGUMPSA-N 312.333 -0.334 30 20 DBED N#Cc1cnc(N2C[C@@H](O)[C@H](NC(=O)c3ncccn3)C2)cn1 1041137002 OZUYCLYFDQFPFI-GHMZBOCLSA-N 311.305 -0.882 30 20 DBED C=CCCCC(=O)N1CC(O)(CNC(=O)[C@H](C)NC(C)=O)C1 1041337410 ADRABPNPDKPMIO-NSHDSACASA-N 311.382 -0.443 30 20 DBED C#CCN1CC[C@@]2(CCN(C(=O)c3nnc(O)nc3O)C2)C1 1041446245 RPDARBFMQCZSLY-CQSZACIVSA-N 303.322 -0.546 30 20 DBED N#CCSCC(=O)N1CC(O)(CNC(=O)Cc2ccon2)C1 1042204691 RDMBSDPNVWSTJK-UHFFFAOYSA-N 324.362 -0.837 30 20 DBED CS[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2cc(C#N)c[nH]2)C1 1042401707 QSBHEOBYLMRZIR-VIFPVBQESA-N 322.390 -0.059 30 20 DBED CC(C)(C)C#CC(=O)NCC1(O)CN(C(=O)[C@@H]2CCCO2)C1 1042965278 ZQJCFBPNTHYWIZ-LBPRGKRZSA-N 308.378 -0.096 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)C(F)=C(C)C)C1 1043039403 GDCIDLLNMLGFGL-LLVKDONJSA-N 312.341 -0.022 30 20 DBED C=C(C)CCC(=O)NCC1(O)CN(C(=O)[C@@H]2CC[C@@H]2C(N)=O)C1 1043315633 QEXBLYVVNIBUDN-NWDGAFQWSA-N 323.393 -0.456 30 20 DBED C=CCN1CC[C@H](N2CC(N(C)C(=O)[C@@H]3[C@H]4COC[C@H]43)C2)C1=O 1043581665 IYXMEDMMZLTBLJ-LJISPDSOSA-N 319.405 -0.192 30 20 DBED C=CCCCC(=O)NCC1(O)CN(C(=O)C2(C(=O)NC)CC2)C1 1045451058 JIRMNUGQNFAOGW-UHFFFAOYSA-N 323.393 -0.442 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 1045564943 OSDHVWDQBYXZHJ-GMTAPVOTSA-N 317.349 -0.638 30 20 DBED C#CCN1CC[C@@H](N2CCN(C(=O)[C@H]3CN(C)CCO3)CC2)C1 1046014535 ZBXJRMZDRFRYTL-HZPDHXFCSA-N 320.437 -0.831 30 20 DBED C#CCCN1C[C@H]2C[C@H](NC(=O)Cn3ncn(C)c3=O)C[C@H]1C2 1047096907 HMVMKYNYVVLSNN-MELADBBJSA-N 317.393 -0.426 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)Cn2nnnc2C(C)C)C1 1047557212 IWWUBOANRJXKPK-STQMWFEESA-N 320.397 -0.677 30 20 DBED C=CCCC(=O)N(C)[C@H]1CN(C(=O)C2=COCCO2)C[C@@H]1O 1048506578 SOGWMRCFFUHCEP-RYUDHWBXSA-N 310.350 -0.129 30 20 DBED C#CCCN1CC[C@H]2[C@H]1CCCN2C(=O)Cn1ncn(C)c1=O 1049560307 CPOBDQJGLNYKBC-KGLIPLIRSA-N 317.393 -0.330 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)CNC(N)=O)C[C@@H]1C 1051933075 CLUHQNRFQXDBOW-RYUDHWBXSA-N 308.382 -0.331 30 20 DBED CC#CCN1CCN([C@H]2CCN(C(=O)c3cnn(C)n3)C2)CC1 1052098222 FPJKVPSLHYOTTE-AWEZNQCLSA-N 316.409 -0.330 30 20 DBED C[C@@H](C(=O)NC1CC1)N1CC2(CN(C(=O)[C@H](C)C#N)CCO2)C1 1053187215 GZUKCBGRHNTMRG-NEPJUHHUSA-N 320.393 -0.274 30 20 DBED C=CCN1CC2(C1)CN(C(=O)CCN1C(=O)CCC1=O)CCO2 1053332003 HNPOPYWUHSSMQC-UHFFFAOYSA-N 321.377 -0.375 30 20 DBED CC#CCN1CC2(CC[C@H](CNC(=O)[C@@H]3CC(=O)N(C)C3)O2)C1 1053607424 UOFQDOSEYOWSNP-ZIAGYGMSSA-N 319.405 -0.162 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)c3ccoc3CC(N)=O)CO2)C1 1053908295 PBUCAMVBMYAVBP-SNVBAGLBSA-N 318.333 -0.596 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)c3cnc(OC)nc3)CO2)C1 1053972637 IDLQOSQKDAOLNV-GFCCVEGCSA-N 302.334 -0.309 30 20 DBED CCn1cc(C(=O)NC2[C@@H]3CN(c4cnc(C#N)cn4)C[C@@H]23)nn1 1056279858 CVBKYDZBDHOVTH-GHMZBOCLSA-N 324.348 -0.176 30 20 DBED C[C@H](NC(N)=O)C(=O)N1CCC[C@H]2CN(C(=O)[C@H](C)C#N)C[C@H]21 1056651995 YRURENGPMRDZHT-NOOOWODRSA-N 321.381 -0.348 30 20 DBED Cn1cc(C(=O)N2CC[C@@H](N=c3cc[nH]cc3C#N)C2)ncc1=O 1056830236 AFJADYPWHPCDLV-GFCCVEGCSA-N 324.344 -0.205 30 20 DBED N#CCSCC(=O)N(CCO)CCNC(=O)c1cc[nH]n1 1057026968 SYSAKBAAKXABJC-UHFFFAOYSA-N 311.367 -0.783 30 20 DBED N#Cc1ccc(N2CCCN(C(=O)[C@H]3CCC(=O)N3)CC2)nn1 1057106441 XDIAERHTANGQNY-GFCCVEGCSA-N 314.349 -0.334 30 20 DBED C=CCCOCC(=O)NCCN(CCO)C(=O)c1cc(C)[nH]n1 1057106543 PMIIGTZAQQHZNR-UHFFFAOYSA-N 324.381 -0.138 30 20 DBED C=CCO[C@H](C)C(=O)NCCN(CCO)C(=O)[C@@H](CC)OC 1057156773 JNZQSXFFXKADIU-CHWSQXEVSA-N 316.398 -0.060 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)CCc1nc[nH]n1 1057439620 UOMNBCMEZPFJFB-UHFFFAOYSA-N 321.381 -0.522 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)c1n[nH]cc1F 1057445566 ZQIGGHIHTVZSLP-UHFFFAOYSA-N 310.329 -0.097 30 20 DBED N#Cc1nc(=N[C@@H]2CCCN(C(=O)[C@@H]3COCCO3)C2)cc[nH]1 1057589822 MCDGRVWKHWKGQS-NEPJUHHUSA-N 317.349 -0.412 30 20 DBED N#Cc1cncc(N2CC[C@H](NC(=O)Cn3cnnc3O)C2)n1 1058321109 SDQRFYFTHVAMBT-VIFPVBQESA-N 314.309 -0.960 30 20 DBED N#Cc1ccc(N[C@H]2C[C@@H](NC(=O)Cn3cnnc3O)C2)nn1 1059594986 JDAVIIJKHKMGQM-AOOOYVTPSA-N 314.309 -0.595 30 20 DBED C#CCCCC(=O)N1CCOC[C@@H]1CNC(=O)[C@H](C)NC(C)=O 1061253696 WQMVKTVBFBPKNJ-JSGCOSHPSA-N 323.393 -0.342 30 20 DBED C=CCO[C@H](C)C(=O)NC[C@@H]1COCCN1C(=O)c1ncc[nH]1 1061668879 WORILBODLPHRSR-VXGBXAGGSA-N 322.365 -0.042 30 20 DBED O=C(C#CC1CC1)NC1(CNC(=O)[C@@H]2COCCO2)CCC1 1062590777 HBRZBOZADQIMEL-ZDUSSCGKSA-N 306.362 -0.030 30 20 DBED N#Cc1nccc(N2CCO[C@@H](CNC(=O)c3cnn[nH]3)C2)n1 1063673209 LOJIKYZCXCRUSA-VIFPVBQESA-N 314.309 -0.898 30 20 DBED C#CCOCCC(=O)NC1(CNC(=O)c2cnon2)CCC1 1064173103 JTAMPYXIFHMWSF-UHFFFAOYSA-N 306.322 -0.122 30 20 DBED Cn1nnc(C(=O)N[C@@H]2[C@H]3C[C@H]2N(c2ncccc2C#N)C3)n1 1064325005 RNFRKDOJHMTHNQ-HBNTYKKESA-N 310.321 -0.516 30 20 DBED C=C[C@H](CC)CC(=O)NC[C@H]1CN(C(=O)CC(N)=O)CCO1 1065001586 UKWMNANYYXJDNC-NEPJUHHUSA-N 311.382 -0.192 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(C(=O)[C@@]23COC[C@@H]2C3)CCO1 1065235326 VEZQZPFGBSCSMO-VBQJREDUSA-N 318.373 -0.220 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCO[C@H](CNC(=O)CC)C1 1065292915 VNPMBEZUJRLBCZ-KGLIPLIRSA-N 307.394 -0.162 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)CCc2cnn[nH]2)C1 1065556781 JTDQKWMMAXRPCR-PWSUYJOCSA-N 320.353 -0.759 30 20 DBED C[C@H]1CN(C(=O)Cn2cncn2)C[C@@H]1Nc1cnc(C#N)cn1 1067098565 LYYNPOQDKDJJTR-JQWIXIFHSA-N 312.337 -0.101 30 20 DBED C=C(C)C[C@@H](C)C(=O)N[C@@H]1COC2(C1)CN(C(=O)CC(N)=O)C2 1068975537 JXNZLUXZTCETDZ-NEPJUHHUSA-N 323.393 -0.050 30 20 DBED C=CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H]2COCCO2)C1 1069898381 KWACUXXRTLUXHV-HZSPNIEDSA-N 321.381 -0.389 30 20 DBED C#CCCN1C[C@H]2C[C@@H]3CN(C(=O)[C@H]4CCNC4=O)C[C@@]3(C1)O2 1070835154 IHJHOOBEZNAJMT-VWPFQQQWSA-N 317.389 -0.553 30 20 DBED N#CCN1CCNC(=O)CCN(C(=O)c2cnccn2)CC1 1070933232 AIJIIKDTCZUXMN-UHFFFAOYSA-N 302.338 -0.736 30 20 DBED CCc1nc[nH]c1C(=O)N1CCC(=O)NCCN(CC#N)CC1 1071018427 RMVRQPSNLUJZMS-UHFFFAOYSA-N 318.381 -0.240 30 20 DBED C[C@H](C#N)C(=O)NC1(C)CCN(C(=O)[C@H]2CNC(=O)N2)CC1 1073224108 PLIAXKQPCCLYQE-NXEZZACHSA-N 307.354 -0.675 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)c3cnc(O)n3C)C[C@H]21 1074312770 RRRCBYHCKONWFS-CHWSQXEVSA-N 304.350 -0.326 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)c2cc3n(n2)CCO3)C1 1077143125 CVNJBUUBEMNVDL-GHMZBOCLSA-N 312.757 -0.197 30 20 DBED C=CCCCC(=O)N[C@@H](C)CCNC(=O)Cn1ncn(C)c1=O 1077211232 LPKDCVPHOTYRNS-LBPRGKRZSA-N 323.397 -0.051 30 20 DBED Cn1cc(C(=O)N[C@H]2C[C@H](NCC#N)C23CCC3)ncc1=O 1078685168 HUWUZVDZFHKMLY-RYUDHWBXSA-N 301.350 -0.066 30 20 DBED C#CCOCCC(=O)NC1(CO)CCN(C(=O)C2CC2)CC1 1080859156 NYKYGVOIDLNJDG-UHFFFAOYSA-N 308.378 -0.094 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2ccncc2)C[C@H]1O 1081343390 BRIGLJOWAUGWBW-UONOGXRCSA-N 319.361 -0.167 30 20 DBED N#CCSCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2cnco2)C1 1081622720 ASMXSMQAVKLQJY-NXEZZACHSA-N 324.362 -0.520 30 20 DBED C=CCCCC(=O)NC[C@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1O 1081703716 UCPHKVQJSSRMLT-NWDGAFQWSA-N 321.381 -0.280 30 20 DBED CC#CCN1C[C@@H](NC(=O)c2cc(C(N)=O)c[nH]2)[C@H](OC)C1 1082277126 TZWIOOUFAMHVKA-CHWSQXEVSA-N 304.350 -0.434 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN(Cc3nnnn3C)C[C@@H]2O)C1 1083756190 HLXVYLXWSMYXCH-MNOVXSKESA-N 306.370 -0.772 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)[C@@H](C2CC2)N2CCOCC2)C1 1084079372 AFGUDMCKGWEXGB-OWCLPIDISA-N 323.437 -0.165 30 20 DBED C=CCN1CC[C@@H]1CN(C)C(=O)c1cn(C)c(=O)n(C)c1=O 1085850682 DGVFWCSJRLZOHF-LLVKDONJSA-N 306.366 -0.584 30 20 DBED Cc1cccn(CC(=O)N[C@@H]2CCN(CC#N)C[C@@H]2O)c1=O 1090264842 IFQABXYAZZUDKU-OLZOCXBDSA-N 304.350 -0.768 30 20 DBED COC[C@H](C)C(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@H]1O 1090387284 IZCDALMGLWJFMB-ZKYQVNSYSA-N 304.350 -0.099 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)C2CCN(C(N)=O)CC2)[C@@H](O)C1 1090797459 ZKQXZDBRZBOSGX-KGLIPLIRSA-N 324.425 -0.095 30 20 DBED C=CCCN1CC[C@H](NC(=O)Cn2ccccc2=O)[C@H](O)C1 1090797797 GJESJOFXRGTNFM-UONOGXRCSA-N 305.378 -0.024 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)c2cc(C(N)=O)ccn2)[C@@H](O)C1 1090856509 FZDQDYXECACTKH-JSGCOSHPSA-N 318.377 -0.078 30 20 DBED CC(=O)N[C@H](C)C(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@@H]1O 1091064709 OUNAOMGUUSKWIA-FZQKWOKYSA-N 317.349 -0.856 30 20 DBED CN(C)CCC(=O)N[C@H]1CCN(c2ccnc(C#N)n2)C[C@@H]1O 1092173490 LJEPAKYEEWSNGL-RYUDHWBXSA-N 318.381 -0.644 30 20 DBED CN(C)CCC(=O)N[C@H]1CCN(c2ccc(C#N)nc2)C[C@H]1O 1092174532 SOCJQMPEWFOCSC-LSDHHAIUSA-N 317.393 -0.039 30 20 DBED CC#CCN1C[C@@H](C)[C@H](CNC(=O)[C@@H]2CCS(=O)(=O)N2)C1 1093202998 CZTIGDZKVKNKJQ-UPJWGTAASA-N 313.423 -0.615 30 20 DBED C#CCN1CC(OC2CCN(C(=O)[C@@H]3CN(C)CCO3)CC2)C1 1093521445 PCYJORSRZAGNER-INIZCTEOSA-N 321.421 -0.358 30 20 DBED C#CCN1CC(n2cc(CNC(=O)c3conc3C)nn2)C1 1094314446 VXSIHTZEMUCUNC-UHFFFAOYSA-N 300.322 -0.006 30 20 DBED C[C@@H](CC(=O)NCCCNc1nccnc1C#N)NC(N)=O 1094593693 JAUDAAIFRNCMTH-VIFPVBQESA-N 305.342 -0.287 30 20 DBED N#Cc1nc(=NCCCNC(=O)C[C@@H]2CCC(=O)NC2)cc[nH]1 1094617788 QWRARXRXQVCQAE-NSHDSACASA-N 316.365 -0.395 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)C[C@H]3CCCCO3)CC2=O)C1 1094719152 AEDKGVQTLGEHAX-DZGCQCFKSA-N 319.405 -0.020 30 20 DBED CC[C@H](NC(C)=O)C(=O)NCCCN=c1cc[nH]c(C#N)n1 1094798978 HRHIFKUOFJXCNE-NSHDSACASA-N 304.354 -0.397 30 20 DBED CNC(=O)CCCC(=O)N1CC[C@@H](N=c2cc[nH]c(C#N)n2)C1 1095036333 DYDUVBPUDLOIPQ-LLVKDONJSA-N 316.365 -0.301 30 20 DBED N#Cc1cnc(N[C@H](CNC(=O)Cn2nccn2)C2CC2)cn1 1096735931 AKCRNBDAXNGYFP-GFCCVEGCSA-N 312.337 -0.053 30 20 DBED CC(=O)N1CCC[C@@H]1C(=O)NC[C@H](C)N=c1cc[nH]c(C#N)n1 1097904733 OFZONBMMFCLXLF-CMPLNLGQSA-N 316.365 -0.302 30 20 DBED C[C@H](CNC(=O)COC[C@H]1CCOC1)N=c1cc[nH]c(C#N)n1 1098045029 ULKOIKWNFOTJPK-NEPJUHHUSA-N 319.365 -0.260 30 20 DBED CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CCC(N(CC#N)CCO)CC1 1098478947 LFCHOONNFXNNCQ-KGLIPLIRSA-N 322.409 -0.480 30 20 DBED Cc1ccc(C(=O)N[C@@H]2CCN(CC(=O)NCC#N)C[C@H]2O)o1 1099641609 FGNOEDCPZCYWTM-VXGBXAGGSA-N 320.349 -0.607 30 20 DBED Cn1cc(CN2CC[C@H](NC(=O)C#CC3CC3)[C@H](O)C2)nn1 1099826022 FHFPTITUMMLTSE-UONOGXRCSA-N 303.366 -0.720 30 20 DBED Cc1csc(=O)n1CCC(=O)N[C@@H]1CCN(CC#N)C[C@@H]1O 1099879584 MOQGEDIYZBQVHC-NEPJUHHUSA-N 324.406 -0.317 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2n[nH]cc2F)[C@H](O)C1 1099991683 OMXKYXDEXNCHHM-VXGBXAGGSA-N 310.329 -0.636 30 20 DBED CN(CCNC(=O)Cn1ccccc1=O)c1cnc(C#N)cn1 1100108940 OBXBQCLQYAJOJD-UHFFFAOYSA-N 312.333 -0.237 30 20 DBED C#CCN1CC[C@@H](NC(=O)CNC(=O)CC(C)(C)C)[C@H](O)C1 1100119271 HNUIKBGHKIVKIM-CHWSQXEVSA-N 309.410 -0.277 30 20 DBED C=CCNC(=O)CNC1CC(CNC(=O)[C@@H]2CCNC(=O)C2)C1 1100241145 HBBFKQLSFUFAOA-OTTFEQOBSA-N 322.409 -0.701 30 20 DBED CNC(=O)NC(=O)CNC1CC(CNC(=O)C#CC(C)C)C1 1100309247 MMAFJNBCCYLOBH-UHFFFAOYSA-N 308.382 -0.414 30 20 DBED CNC(=O)NC(=O)[C@H](C)NC1CC(CNC(=O)C#CC(C)C)C1 1100310517 VLFNHQBHBZKLJR-HIFPTAJRSA-N 322.409 -0.026 30 20 DBED CC(=O)N(C)CC(=O)N[C@H]1CC2(CN(CC#N)C2)n2ccnc21 1101610256 KDQCTVLARWNVPQ-LBPRGKRZSA-N 316.365 -0.543 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1C 1101828217 YHJKUPVDVDOSFV-QJPTWQEYSA-N 316.427 -0.621 30 20 DBED COC[C@H](C)C(=O)NC[C@H]1CN(c2nccnc2C#N)CCO1 1104309749 HIHCPMDQUQAECD-RYUDHWBXSA-N 319.365 -0.048 30 20 DBED COC(=O)NCC(=O)NC[C@H](O)CNc1ccc(C#N)cn1 1105723479 PYNUQFJHRORFLS-SNVBAGLBSA-N 307.310 -0.802 30 20 DBED Cc1nc(CC(=O)NC[C@H](O)CNc2ccc(C#N)nc2)n[nH]1 1105827280 QXDLBUUZESRRNR-GFCCVEGCSA-N 315.337 -0.489 30 20 DBED Cc1nc(NC[C@@H](O)CNC(=O)[C@@H]2COC(=O)N2)ccc1C#N 1105836121 ZAQNXIWDCVSLRE-MNOVXSKESA-N 319.321 -0.741 30 20 DBED C[C@@H](CCNc1cncc(C#N)n1)NC(=O)Cn1cnnn1 1106195446 XDPZYGKBFLGAIV-VIFPVBQESA-N 301.314 -0.658 30 20 DBED COC(=O)NCC(=O)NC/C=C/CNc1cncc(C#N)n1 1107057877 NYHRQTDVGDIZPQ-NSCUHMNNSA-N 304.310 -0.211 30 20 DBED CC(C)C#CC(=O)NC[C@]1(C)CN(CC(=O)NC(N)=O)CCO1 1107927424 WLQUFNQBGDPEOA-OAHLLOKOSA-N 324.381 -0.952 30 20 DBED CC[C@@]1(C(=O)NC[C@]2(C)CN(CC#N)CCO2)CCNC1=O 1108008450 QJXPLVSHGWFWFE-HUUCEWRRSA-N 308.382 -0.367 30 20 DBED CC#CCN1CCO[C@@](C)(CNC(=O)C[C@H]2CCC(=O)N2)C1 1108276776 SWVSRRZMQMXINX-CJNGLKHVSA-N 307.394 -0.115 30 20 DBED C[C@@H](CNc1ccc(C#N)nn1)NC(=O)CN1C(=O)CCC1=O 1108377512 WFDWARBJMMIXAJ-VIFPVBQESA-N 316.321 -0.586 30 20 DBED C[C@H](CN(C)c1cncc(C#N)n1)NC(=O)[C@H]1COC(=O)N1 1108926697 IUKMWGLKOWLSFJ-PSASIEDQSA-N 304.310 -0.602 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1nnnn1C 1109213135 MTBMUIIAPCSLAZ-OXJKWZBOSA-N 320.397 -0.241 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1CCOCC1 1110451175 PEUGXTBXTAWXRO-OAGGEKHMSA-N 321.421 -0.310 30 20 DBED C#CCCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H](C)NC(=O)COC 1110584997 UBQODPYJBGQAGH-DGAVXFQQSA-N 307.394 -0.118 30 20 DBED N#Cc1ccc(NCCN(CCO)C(=O)Cc2nc[nH]n2)nc1 1111505841 LOTIDLXZNSEOAY-UHFFFAOYSA-N 315.337 -0.453 30 20 DBED N#Cc1ccc(NCCN(CCO)C(=O)[C@H]2CCNC2=O)cn1 1111534953 JAIRPPGIDTUONE-ZDUSSCGKSA-N 317.349 -0.678 30 20 DBED COc1cc(C(=O)N2CCN(CC(=O)NCC#N)CC2)on1 1112782547 ZKCGAEUZOCXAQA-UHFFFAOYSA-N 307.310 -0.919 30 20 DBED CS[C@H](C)CC(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1114156656 ZYZNNCZRZGWECT-PUHVVEEASA-N 310.423 -0.186 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1[C@@H]2CN(CCOCCCC)C[C@@H]21 1114170592 SXDLHFGHNBORCX-HALDLXJZSA-N 321.421 -0.011 30 20 DBED CCN1C[C@H](C(=O)NC2[C@H]3CN(CC#CCOC)C[C@H]23)CC1=O 1114357849 KOJQAQCLHIKOPQ-RDBSUJKOSA-N 319.405 -0.449 30 20 DBED CC(C)[C@@H](C(=O)NC1[C@H]2CN(CC(=O)NCC#N)C[C@H]12)N(C)C 1114440701 VJBVHVAIOQHSIK-HUBLWGQQSA-N 321.425 -0.741 30 20 DBED C=CCOCCN1C[C@@H]2C(NC(=O)c3ccc(=O)n(C)n3)[C@H]2C1 1115207568 UEXKMLRNWDGODT-RYUDHWBXSA-N 318.377 -0.357 30 20 DBED C=CCCCN1C[C@H]2[C@H](NC(=O)CN3C(=O)CN(C)C3=O)[C@H]2C1 1115212840 LKBQZXMSNQFWBF-JYAVWHMHSA-N 320.393 -0.107 30 20 DBED CN(CCNC(=O)C(=O)Nc1ccn(CCC#N)n1)C1CC1 1116237215 SGUZRDBZGHCKQS-UHFFFAOYSA-N 304.354 -0.054 30 20 DBED CC(=O)N[C@H](C)C(=O)NC[C@@H](CO)Nc1nc(C)cc(C#N)n1 1121010052 JGMWBXNKIHVCEK-SKDRFNHKSA-N 320.353 -0.930 30 20 DBED CCNC(=O)CCC(=O)NC[C@H](CO)N=c1cc[nH]cc1C#N 1121205024 KPERJCPLOYUKJQ-GFCCVEGCSA-N 319.365 -0.820 30 20 DBED CNC(=O)CC(=O)NC[C@H](CO)Nc1snc(C)c1C#N 1121372025 SNPCXOQFCBQZJK-MRVPVSSYSA-N 311.367 -0.652 30 20 DBED Cc1nnc(CC(=O)NC[C@H](CO)Nc2cncc(C#N)n2)o1 1121431813 DBBSTSOXRXXRPJ-SNVBAGLBSA-N 317.309 -0.829 30 20 DBED CCn1nncc1C(=O)NC[C@@H](CO)Nc1ccc(C#N)nn1 1121472936 VUIZMRAXIUFKQT-JTQLQIEISA-N 316.325 -0.838 30 20 DBED COCC[C@H](C)C(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1 1121606456 DQPJRIWYHXZSSO-QWRGUYRKSA-N 307.354 -0.668 30 20 DBED Cc1nn[nH]c1C(=O)NC[C@H](CO)Nc1snc(C)c1C#N 1122384953 HQFPZTPAARGABS-MRVPVSSYSA-N 321.366 -0.047 30 20 DBED Cc1nocc1C(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1 1122436184 CZOALNZLQDGJOQ-VIFPVBQESA-N 302.294 -0.731 30 20 DBED CN(C[C@H](O)CNc1ncccc1C#N)C(=O)[C@@H]1CCC(=O)N1 1124428151 MLBNGODPYUBPOS-NEPJUHHUSA-N 317.349 -0.537 30 20 DBED CN(C[C@@H](O)CNc1cncc(C#N)n1)C(=O)Cc1cnoc1 1124688203 DNCQCZBRXKKXCG-LBPRGKRZSA-N 316.321 -0.190 30 20 DBED C#CCNC(=O)CC(=O)NCCNCc1ccc(C#N)s1 1125978674 WNGLXLBVLLKKRX-UHFFFAOYSA-N 304.375 -0.035 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1ccc(NC(C)=O)cn1 1128931922 WVFNJHRRONQKFI-UHFFFAOYSA-N 319.365 -0.338 30 20 DBED C=CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)C(C)(C)C(N)=O)C1 1129060377 OPFWTUGWNZNZOB-NEPJUHHUSA-N 320.397 -0.293 30 20 DBED COCC#CCNCCNC(=O)[C@]12C[C@H]3C[C@H](C(=O)N1)[C@H]2C3 1130584622 KJDQHLAUFKIFKH-BCUIYNNISA-N 305.378 -0.743 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H]2C[C@H]3CN(C(C)=O)C[C@@]3(C1)O2 1131164377 JRAPXHINNUHDAM-YYWXWVFPSA-N 307.394 -0.001 30 20 DBED C#CCN1C[C@@H](NC(=O)CN(C)S(C)(=O)=O)CC[C@H]1C 1132079277 WIXBWZCGYBPTFN-NEPJUHHUSA-N 301.412 -0.520 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)CC(=O)N(C)C)CC[C@H]1C 1132346255 WRELKQNBKJTKPP-OLZOCXBDSA-N 324.425 -0.264 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)CSCC#N 1133736214 LWUZZENUXLTISJ-NWDGAFQWSA-N 310.423 -0.135 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)Cc1ccn(C)n1 1134335840 CVOBPYGVXXXEJA-OLZOCXBDSA-N 319.409 -0.415 30 20 DBED C#CCOCCC(=O)N[C@H](C)C[C@H](C)NCC(=O)NC(N)=O 1134352374 QCSZCZUHLMDJHA-WDEREUQCSA-N 312.370 -0.906 30 20 DBED COCC#CCN[C@@H](C)C[C@H](C)NC(=O)CCn1cnnn1 1135763724 APVPLLXKIZPWNJ-STQMWFEESA-N 308.386 -0.414 30 20 DBED C#CCOc1ncccc1C(=O)NCCNCC(=O)NC(C)C 1148302066 AZCLVLNVUFYMEG-UHFFFAOYSA-N 318.377 -0.062 30 20 DBED N#CCN1CCC2(C1)CN(C(=O)CCC(=O)N1CCOCC1)C2 1148715256 XKZUBQOZAHNUGF-UHFFFAOYSA-N 320.393 -0.317 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)[C@@H](C1CC1)N(C)C 1153824061 JCZUAXQESRZHQZ-IUODEOHRSA-N 323.441 -0.207 30 20 DBED C=CCn1cccc1C(=O)NCCCNCC(=O)NC(N)=O 1159974418 BRFLIYQOLDLJJU-UHFFFAOYSA-N 307.354 -0.422 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)c1[nH]c(O)nc1C 1160522407 ZGAFZTXDQSOVLN-SNVBAGLBSA-N 309.370 -0.176 30 20 DBED C#CCN1CCC(CNC(=O)C2CN(C(C)=O)C2)(COC)CC1 1162236931 WKJDEYCFJJDQDE-UHFFFAOYSA-N 321.421 -0.057 30 20 DBED C=CCCNCC1(CCNC(=O)Cn2cnc(C(N)=O)n2)CC1 1164576636 UXHKBVCXLUDNJG-UHFFFAOYSA-N 320.397 -0.171 30 20 DBED COCC#CCNCC1(CCNC(=O)[C@@H]2CCC(=O)N2)CC1 1167789905 MKSGLSOBLYGAHB-ZDUSSCGKSA-N 307.394 -0.209 30 20 DBED C#CCNC(=O)CNCCCC[C@H](C)NC(=O)[C@H]1CCN(C)C1 1176563950 IMIPBZWQQUQPCZ-GJZGRUSLSA-N 322.453 -0.048 30 20 DBED C/C=C(/C)C(=O)N1CC[C@@H]2OCCN(CC(=O)NCC#N)[C@H]2C1 1176969521 MQTBYQIHKTWUJS-RAEJRPEASA-N 320.393 -0.106 30 20 DBED C#CCCN1CCO[C@H]2CCN(C(=O)CC(=O)N(C)C)C[C@@H]21 1177108192 ZDGOQLIEMGOHAH-KBPBESRZSA-N 307.394 -0.210 30 20 DBED C[C@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)C1=CCOCC1 1178538022 JXTHGZOFSCOJLV-AAEUAGOBSA-N 306.366 -0.448 30 20 DBED C[C@@H]1CN(C(=O)CC(C)(C)O)C[C@@]1(C)CNCC(=O)NCC#N 1181286079 DSCHMXFXWLECHQ-MLGOLLRUSA-N 324.425 -0.139 30 20 DBED C=CCCO[C@@H](C)C(=O)N1CC[C@@H](NCC(=O)NC(N)=O)C1 1181469950 WUCDXIBLTHIDAB-WDEREUQCSA-N 312.370 -0.647 30 20 DBED C=CCNC(=O)CNC[C@@H]1CCN(C(=O)CC(=O)NC)C[C@H]1C 1184242577 XVURALUMZMXMEQ-OLZOCXBDSA-N 324.425 -0.501 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)C(C)(C)CCOC)C1 1186724560 AYEZXYKHDKDHEK-CYBMUJFWSA-N 309.410 -0.011 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2ccc(O)nn2)C1 1188774336 ACKHYNQJPLWHEQ-LLVKDONJSA-N 319.365 -0.369 30 20 DBED COC[C@H](O)CN(C)[C@H]1CCN(C(=O)CSCC#N)C1 1188959273 PWZGZOYKBAWTIX-NWDGAFQWSA-N 301.412 -0.217 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(Cc2ncnn2CCC)C[C@H]1O 1191807656 UUNDTTCFMORSHI-CHWSQXEVSA-N 323.397 -0.448 30 20 DBED CCCc1nc(CN2C[C@@H](O)[C@H](NC(=O)[C@@H](C)C#N)C2)no1 1191853920 HDUFWODWQKUNAH-HBNTYKKESA-N 307.354 -0.157 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)C#CC(C)C)C1 1192805272 WGDAJODIRFZOKZ-BFHYXJOUSA-N 307.394 -0.502 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2cscn2)C[C@H]1O 1192899370 NZEBHJWGVJLOTL-RAIGVLPGSA-N 309.391 -0.157 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)Cc2nc[nH]n2)C1 1193381964 CRFCVIAUIDQNAO-LLVKDONJSA-N 306.370 -0.818 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC2(C)C)C1 1195365123 BHZCCLPYSJGIOB-MGPQQGTHSA-N 321.421 -0.277 30 20 DBED C#CCNC(=O)CC(=O)N1CCCN(CC(=O)NCCC)CC1 1195535192 KWILZKZKAYOHHK-UHFFFAOYSA-N 322.409 -0.814 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)C2CC3(CC3)C2)C1 1196083417 QKJINLDEYHMQNH-MRVWCRGKSA-N 319.405 -0.524 30 20 DBED C=CCO[C@H](C)C(=O)N1CCCN(CC(=O)NC(N)=O)CC1 1198343351 IWUHITDKCLPHPT-LLVKDONJSA-N 312.370 -0.693 30 20 DBED C[C@@H](CC(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1O)C1CC1 1199180721 FJVMIQPMBRGFTB-CYZMBNFOSA-N 308.382 -0.776 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CN(CCCN2C(=O)CNC2=O)C[C@H]1C 1206659274 HXNMMMPTTZUQEW-QJPTWQEYSA-N 321.381 -0.476 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)C2(COCC)CC2)[C@H](C)C1 1207750198 MOEFNEQOCIEGEE-ZIAGYGMSSA-N 321.421 -0.011 30 20 DBED C#CCOCCC(=O)N1CCC[C@@H](N[C@H](C)c2nnnn2C)C1 1208025769 RLLNKKHYRJOFHK-CHWSQXEVSA-N 320.397 -0.108 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)Cn2nccn2)C1 1208231197 UHCWRWGJGXEHEV-CHWSQXEVSA-N 320.397 -0.451 30 20 DBED CCn1cnc(C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@H]2C)c1 1210330401 XHCIXLCQRPMQSH-VXGBXAGGSA-N 318.381 -0.407 30 20 DBED CC#CCN[C@@H]1CCCN(C(=O)CN2C(=O)NC(C)(C)C2=O)C1 1210925653 OLMDQJBHYNQTLZ-GFCCVEGCSA-N 320.393 -0.079 30 20 DBED C=C[C@](C)(O)CC(=O)N1C[C@@H](NCc2nc(=O)n(C)[nH]2)[C@H](C)C1 1214520489 JNMWSTKGSUISBK-HFAKWTLXSA-N 323.397 -0.628 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)c2csnn2)C[C@H]1C 1215251487 VPRSHEIVRCHVAK-NXEZZACHSA-N 307.379 -0.662 30 20 DBED C=CCCCN[C@@H]1CN(C(=O)c2cn(CC(N)=O)nn2)C[C@H]1C 1216844594 GNNWUCLLZVQZRP-VXGBXAGGSA-N 320.397 -0.220 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CN(CC(=O)NC2CCCC2)C[C@@H]1O 1219591877 YPAOGRCEJMBKIZ-CABCVRRESA-N 319.405 -0.380 30 20 DBED C[C@@H](C(=O)N(C)C)N1C[C@H](O)[C@H](NC(=O)C#CC(C)(C)C)C1 1219598275 QMICJEWVYKTJCI-XQQFMLRXSA-N 309.410 -0.326 30 20 DBED COc1ccc(COCC(=O)N[C@@H]2CN(CC#N)C[C@@H]2O)cc1 1219936299 YBWAXMLFKKKOIY-CABCVRRESA-N 319.361 -0.103 30 20 DBED C=C[C@H](CC)CC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[nH]2)C[C@@H]1O 1220203569 KJSIIRRJNFEFDY-UTUOFQBUSA-N 323.397 -0.628 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)c2c[nH]nc2C2CC2)C1 1220670337 HDNKUVVSQZIYIG-KGLIPLIRSA-N 318.377 -0.288 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)[C@H]3CCCO3)[C@@H]2C1 1221242170 MSDIIATZMZXKSH-MGPQQGTHSA-N 305.378 -0.553 30 20 DBED C=CCOCC(=O)NCC1CCN(Cc2nc(=O)n(C)[nH]2)CC1 1222637306 ZLDICNAGVUOHHM-UHFFFAOYSA-N 323.397 -0.361 30 20 DBED CC#CCN1CCC(CNC(=O)[C@H](C)NS(C)(=O)=O)CC1 1224656829 JODOCDKGZIHKRK-LBPRGKRZSA-N 315.439 -0.224 30 20 DBED C#CCNC(=O)CC(=O)NC1CCN([C@H](C)C(=O)N(C)C)CC1 1226961519 GLAICJBBWBJLQF-GFCCVEGCSA-N 322.409 -0.817 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)[C@@H](C)OCC#C)CC1 1227341966 GCFABRZPTZTWSQ-CYBMUJFWSA-N 305.378 -0.645 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCC(NC(=O)[C@@H](C)CC(N)=O)CC1 1228588800 HBTBZRKWYXJSSR-NWDGAFQWSA-N 324.425 -0.231 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@H]1CN(C)C(=O)C1=COCCO1 1230654186 LVKBWQCQGKTHSN-STQMWFEESA-N 321.377 -0.455 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C[C@@H]1CCN1Cc1nncn1C 1234216038 RSULKOFFBXRBMW-OLZOCXBDSA-N 305.382 -0.114 30 20 DBED COCCC1(C(=O)N(C)C[C@H]2CCN2CC(=O)NCC#N)CC1 1235159983 NZGWFIWVEIVZOY-CYBMUJFWSA-N 322.409 -0.024 30 20 DBED N#CCCN(CCC#N)C(=O)CN1C(=O)N[C@@]2(CCOC2)C1=O 1253647365 YMIDWQNWAPLBBD-CQSZACIVSA-N 319.321 -0.647 30 20 DBED CC#CCCNC(=O)C(=O)NCc1ccc(-n2cncn2)nc1 1257019466 GITOYBQTHBFCQW-UHFFFAOYSA-N 312.333 -0.192 30 20 DBED C=CC[C@H](CC)NC(=O)C(=O)N1CCN(C(=O)COC)CC1 1258511887 BAUJXGVQUICUMD-LBPRGKRZSA-N 311.382 -0.226 30 20 DBED C#CCSCCn1nnnc1N1CCN(CCO)C(C)(C)C1 1262413300 KTHVXPVAYZIWPT-UHFFFAOYSA-N 324.454 -0.068 30 20 DBED CNC(=O)[C@@H](C)NC(=O)C(=O)Nc1ccc(F)cc1OCC#N 1319137352 FQQUJJUNKYWKIA-MRVPVSSYSA-N 322.296 -0.083 30 20 DBED C=C[C@H](COC)NC(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 1321242761 CVDBKDQXPJORAG-WDEREUQCSA-N 305.400 -0.232 30 20 DBED N#CC1(NC(=O)COC(=O)Cc2nc3ncccn3n2)CCC1 1322645595 OYYWNSDSXCIEHR-UHFFFAOYSA-N 314.305 -0.228 30 20 DBED C=C[C@H]1CCCCN1C(=O)C(=O)NCCN1C(=O)CNC1=O 1323025973 KRTQLHFJELWIFK-JTQLQIEISA-N 308.338 -0.779 30 20 DBED C=CC1CCN(C(=O)C(=O)NC[C@H]2CN(C)CCN2C)CC1 1323405749 YRRFYJIOQISGAV-AWEZNQCLSA-N 308.426 -0.227 30 20 DBED C=CCCOCCNC(=O)C(=O)NCc1ccc(C(N)=O)o1 1325393255 RQZWGTLUEQZJJD-UHFFFAOYSA-N 309.322 -0.296 30 20 DBED CC#CC[C@H](CO)NC(=O)C(=O)Nc1cccn(CC)c1=O 1326058938 ZDLMCIDTRCVKPS-LLVKDONJSA-N 305.334 -0.303 30 20 DBED CN(C)C[C@@](C)(C#N)NC(=O)Cn1[nH]cc2c(=O)ncnc1-2 1327220712 DZMKACCLHIYAEW-CYBMUJFWSA-N 303.326 -0.969 30 20 DBED CC(=O)N[C@@H]1CCN(C(=O)C(=O)Nc2cccc(C#N)n2)C1 1328221923 BTZFQMXIPNYSAZ-LLVKDONJSA-N 301.306 -0.371 30 20 DBED C#C[C@H](NC(=O)C(=O)NC[C@]1(OC)CCOC1)[C@@H]1CCCO1 1329834120 LZDMZAQWCRJHDS-SLEUVZQESA-N 310.350 -0.795 30 20 DBED COC1(CO)CCN(C(=O)C(=O)N2CC[C@](F)(C#N)C2)CC1 1329956684 HYQIGBLQGOPGDR-ZDUSSCGKSA-N 313.329 -0.550 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N[C@H]2CCO[C@@H](C)C2)nn1 1332045679 QRNRJRHYWZQROI-QWRGUYRKSA-N 307.354 -0.236 30 20 DBED C#C[C@@H](NC(=O)C(=O)Nc1cnc2ccnn2c1)[C@H]1CCCO1 1336673437 QIAVNIVWNUDXJW-VXGBXAGGSA-N 313.317 -0.035 30 20 DBED CCOC(=O)[C@@H]1CCN(C(=O)C(=O)N2CC[C@](F)(C#N)C2)C1 1338064598 JKUXAXLEERAJJL-YGRLFVJLSA-N 311.313 -0.138 30 20 DBED N#C[C@H]1CCCN(C(=O)C(=O)N2CC(N3CCCC3=O)C2)C1 1338245450 DTXBEVGVFICWTP-LLVKDONJSA-N 304.350 -0.418 30 20 DBED COC[C@](C)(C#N)NC(=O)c1ccc(CNS(C)(=O)=O)o1 1340750774 NGMLQJITRUSBKH-LBPRGKRZSA-N 315.351 -0.013 30 20 DBED CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)C(=O)Nc1ccc(C#N)cn1 1347665958 GEKGFTPRHOWKSD-MNOVXSKESA-N 315.333 -0.077 30 20 DBED C#CCOCCN(C)C(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O 1353520585 PDXFGEDXYZUZDW-HNNXBMFYSA-N 307.350 -0.185 30 20 DBED C=CCn1c(C(N)=O)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1355920947 FDXFRPYITRJYFQ-WDEREUQCSA-N 307.354 -0.053 30 20 DBED COCCN(CCC#N)C(=O)CCn1cc(C#N)c(O)nc1=O 1362120706 MUTUCNZMRLQRAB-UHFFFAOYSA-N 319.321 -0.401 30 20 DBED Cc1ncncc1C(=O)NCCn1cc(C#N)c(O)nc1=O 1363004798 VIRWXQUOEQZQEW-UHFFFAOYSA-N 300.278 -0.651 30 20 DBED C[C@@H]1OCC[C@]12CN(c1[nH]c(=O)n(C)c(=O)c1C#N)C[C@@H](C)O2 1364180377 ORJNCCWVUHHWLM-FTGAXOIBSA-N 320.349 -0.282 30 20 DBED CCOC(=O)N1CCC(NC(=O)Cn2cc(C#N)nn2)CC1 1364618084 YINZBLKORDBMCA-UHFFFAOYSA-N 306.326 -0.113 30 20 DBED N#Cc1cn(CCNS(=O)(=O)c2ccoc2)c(=O)nc1O 1364913602 RQOWYGNKXRHUPC-UHFFFAOYSA-N 310.291 -0.608 30 20 DBED C=C(Cl)CNC1(CNC(=O)[C@H]2CCS(=O)(=O)N2)CC1 1368033711 LWRNWMKTXOPIDT-SECBINFHSA-N 307.803 -0.331 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@](C)(NC(=O)c1cnnn1C)C1CC1 1375352887 KUKZOXIOOALBBU-LKFCYVNXSA-N 304.354 -0.011 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]1CN(C)C(=O)CCS(C)(=O)=O 1384896815 SJLCVNNMGYFIMJ-MNOVXSKESA-N 315.395 -0.360 30 20 DBED COc1ncnc(OC)c1C(=O)NCCN(C)C(=O)[C@@H](C)C#N 1386970623 SHBRUEXTBVSTEA-VIFPVBQESA-N 321.337 -0.158 30 20 DBED CN(CCNC(=O)[C@@H]1CCC(=O)NC1)C(=O)c1cc(C#N)c[nH]1 1386985831 ZKTQBJYVFFHTEB-LLVKDONJSA-N 317.349 -0.399 30 20 DBED CCS(=O)(=O)CC(=O)N(C)C[C@H](C)NC(=O)[C@@H](C)C#N 1395601502 NVLZVOJDNBGBBG-UWVGGRQHSA-N 303.384 -0.456 30 20 DBED CCO[C@@H](C)C(=O)NC[C@@H](O)CNC(=O)c1ccc(C#N)[nH]1 1399788480 KOZFKQNJZJRSCH-GXSJLCMTSA-N 308.338 -0.482 30 20 DBED COCCN(CCNC(=O)[C@H](C)C#N)C(=O)Cc1n[nH]c(C)n1 1405769281 LUQKPGBWGATVRQ-SNVBAGLBSA-N 322.369 -0.594 30 20 DBED C[C@H](C#N)C(=O)N(C)C1CCN(C(=O)[C@H]2COC(=O)N2)CC1 1412278228 DVIRHRFVBOJBNK-MWLCHTKSSA-N 308.338 -0.296 30 20 DBED CO[C@@H](CNC(=O)Cn1cc(C#N)c(O)nc1=O)C(C)(C)C 1417651459 RZBOXIQQMUYPTQ-JTQLQIEISA-N 308.338 -0.002 30 20 DBED CCCC[C@H](NC(=O)Cn1cc(C#N)c(O)nc1=O)C(=O)OC 1417705047 OFXQCPVMVKAFKU-JTQLQIEISA-N 322.321 -0.331 30 20 DBED N#Cc1ccc(N2CCN(C(=O)[C@H](CO)NC(N)=O)CC2)cc1 1418669595 ACULZRBOKTYTTO-ZDUSSCGKSA-N 317.349 -0.764 30 20 DBED Cc1cnc2nc(C(=O)N3CC(NC(=O)[C@@H](C)C#N)C3)nn2c1 1430288838 GJYGWWRSMFNGLL-VIFPVBQESA-N 313.321 -0.467 30 20 DBED C[C@H](C#N)C(=O)N(C)CCNC(=O)CS(=O)(=O)C(C)(C)C 1431396626 QXFAVRIWUMQPDQ-SNVBAGLBSA-N 317.411 -0.066 30 20 DBED CNC(=O)Cc1noc(CNC2(CNC(=O)[C@@H](C)C#N)CC2)n1 1439597880 OJJPFGVNRSRHIU-VIFPVBQESA-N 320.353 -0.744 30 20 DBED C[C@H](C(=O)N1CCC2(CC1)COC(=O)N2)n1cnc(C#N)n1 1458223837 GULZSJKZBNXMOM-SECBINFHSA-N 304.310 -0.188 30 20 DBED C[C@H](C(=O)NC[C@H]1CCCN(C(N)=O)C1)n1cnc(C#N)n1 1468660147 NZLHVUBGRLVEHX-NXEZZACHSA-N 305.342 -0.382 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNCc1cn(C(C)(C)C)nn1 1482717009 VKUKWGKJZPGWOS-JQWIXIFHSA-N 308.386 -0.241 30 20 DBED C[C@@H](C#N)C(=O)NC1CCN(C(=O)[C@H]2CCC(=O)NC2)CC1 1492105960 GLWSXPIYSJBNQL-QWRGUYRKSA-N 306.366 -0.221 30 20 DBED CCO[C@H](C)C(=O)NC[C@H](O)CN(C)C(=O)c1cc(C#N)c[nH]1 1511516590 RVQVBMONENBQCD-PWSUYJOCSA-N 322.365 -0.140 30 20 DBED COCCN(CCNC(=O)Cc1nc[nH]n1)C(=O)[C@@H](C)C#N 1511873091 WOYCUHZEWNEVGB-JTQLQIEISA-N 308.342 -0.902 30 20 DBED CC(=O)N[C@@H](C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[nH]1)C(C)C 1573535415 FQKGQNNRGUWUHT-MRVPVSSYSA-N 317.313 -0.439 30 20 DBED C[C@@]1(C(=O)N2CCN(c3cnccc3C#N)CC2)C[C@@H](O)CN1 1576333564 LYFNBXKLLGZQOE-CJNGLKHVSA-N 315.377 -0.285 30 20 DBED C#CCN(CC(=O)O)C(=O)NC[C@@H]1COC2(CCOCC2)O1 1588408649 WXEVOAYVMHGLSL-LLVKDONJSA-N 312.322 -0.362 30 20 DBED C#CC[C@H](NS(=O)(=O)c1cc(C(=O)OC)cn1C)C(=O)O 1588423576 LEBSOUDEYQAEQZ-VIFPVBQESA-N 314.319 -0.434 30 20 DBED C=C[C@@H](O)C(=O)O[C@@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 1588526231 SVGZMNGAQUQYFM-NXEZZACHSA-N 303.278 -0.517 30 20 DBED C=C(C)C[C@H](CO)NS(=O)(=O)N1CCC(C(=O)O)CC1 1588537372 NUBLAZVBYXFSBA-LLVKDONJSA-N 306.384 -0.056 30 20 DBED C=CCN1CC[C@@H](N(C)S(=O)(=O)N(C)CCC(=O)O)C1=O 1588839475 RZMQSLWVUSFJNL-SNVBAGLBSA-N 319.383 -0.644 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CC[C@H](C(=O)O)[C@H]2C)nn1 1588909480 WAOGRLFUAAOXAW-KOLCDFICSA-N 321.337 -0.598 30 20 DBED COC(=O)CC1(Cn2c(N)nc(-c3nn[nH]n3)c2C#N)CC1 1591258708 DHXKSAQSSFZIOM-UHFFFAOYSA-N 302.298 -0.140 30 20 DBED COC(=O)[C@@H]1C[C@@H](C(=O)O)CCN1C(=O)Cn1cnc(C#N)n1 1598747125 WGBXQWJKJJMGHL-IUCAKERBSA-N 321.293 -0.985 30 20 DBED Cc1nc(C#N)c(-c2nn[nH]n2)n1CC(=O)NC1(C#N)CCC1 1606023872 LMVLYHUXZJECNE-UHFFFAOYSA-N 311.309 -0.194 30 20 DBED N#Cc1nc(-n2c(Cl)cncc2=O)cnc1-c1nn[nH]n1 1606389898 UAAIQPZVZDHVEL-UHFFFAOYSA-N 301.657 -0.272 30 20 DBED N#CCC(=O)N1CCN([C@@H]2CCCN(CCC(=O)O)C2=O)CC1 1608179254 IBYZLBLIRZUNBD-GFCCVEGCSA-N 322.365 -0.490 30 20 DBED N#CCNC(=O)CNC(=O)Nc1nc(CCC(=O)O)cs1 1610622816 JAWUJETYLBGNJU-UHFFFAOYSA-N 311.323 -0.078 30 20 DBED C#CCNC(=O)CN[C@@H](CNC(=O)[C@H]1CCCCO1)C1CC1 1752454188 IODOAQGPTYADJV-UONOGXRCSA-N 307.394 -0.211 30 20 DBED C#CCN1CCCC[C@H]1CNC(=O)CCS(=O)(=O)NC 1752818453 CFQZRUZRJZYFFF-LBPRGKRZSA-N 301.412 -0.470 30 20 DBED CN(CCN1CCN(CC#N)CC1)C(=O)[C@H]1CC[C@H]1C(N)=O 1753341727 DILPZYMCXJCUNI-OLZOCXBDSA-N 307.398 -0.903 30 20 DBED C=C(C)[C@H](CC(=O)NC1CN(CC(=O)NCC#N)C1)OCC 1753379305 OPCKVEHEPFJCFF-ZDUSSCGKSA-N 308.382 -0.202 30 20 DBED C#CCNC(=O)CNC[C@H](C)CNC(=O)c1ncccc1O 1753609667 IFNIAEACBNUXNL-NSHDSACASA-N 304.350 -0.508 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@@H](C)CNC(=O)c1cc(C)ncn1 1753609863 LRGZKVQSQUVGQK-YPMHNXCESA-N 317.393 -0.122 30 20 DBED C=CCN1CC[C@H](NC[C@H](C)N(C)C(=O)c2ncn(C)n2)C1=O 1753689858 NMBLOVAQLQUSSP-RYUDHWBXSA-N 320.397 -0.348 30 20 DBED C#CCNC(=O)CNC/C=C\CNC(=O)Cc1ncccc1F 1754174574 VTKGEVPYODIPKS-ARJAWSKDSA-N 318.352 -0.225 30 20 DBED C=CCn1cc(C(=O)NC/C=C\CN[C@H](C)C(=O)NC)nn1 1754183159 YHPZKZISKRKFDW-ISALQUGTSA-N 306.370 -0.526 30 20 DBED C=C(Cl)CNC/C=C\CNC(=O)CN1C(=O)CN(C)C1=O 1754204272 SHSGUHAMDWJOCR-ARJAWSKDSA-N 314.773 -0.105 30 20 DBED C=CCNC(=O)CN(C)C[C@H](C)NC(=O)c1cn(C)c(O)n1 1754324029 XQTQOEIFGJYSMD-JTQLQIEISA-N 309.370 -0.522 30 20 DBED CCn1cnc(C(=O)N2CCC[C@H]2CNCC(=O)NCC#N)c1 1754620288 PMFDTLLBWKFKRK-LBPRGKRZSA-N 318.381 -0.263 30 20 DBED N#CCNC(=O)CN1CC(O)(CNC(=O)CC2=CCCCC2)C1 1754765076 WPHSQYGUCXVTHC-UHFFFAOYSA-N 320.393 -0.320 30 20 DBED C#CCCN1CC(O)(CNC(=O)Cc2cn3c(n2)CCCC3)C1 1754766726 BDVKNBSWESVUSD-UHFFFAOYSA-N 316.405 -0.052 30 20 DBED C=C(C)CNC1CCN(CCNC(=O)CCNC(N)=O)CC1 1754849818 IAMZHPZWHCDAQN-UHFFFAOYSA-N 311.430 -0.209 30 20 DBED CCc1noc(CNCCN(CCO)C(=O)C#CC2CC2)n1 1754882246 WZCNTBDDCDCMOP-UHFFFAOYSA-N 306.366 -0.044 30 20 DBED C#CCOCCC(=O)NC[C@H]1COCCN1CCn1cncn1 1754967179 BYPCNYVIAHHYPG-AWEZNQCLSA-N 321.381 -0.865 30 20 DBED C=C(C)CN1CCOC[C@@H]1CNC(=O)CS(=O)(=O)N(C)C 1754975217 VPWVPBWSCMCRBQ-LBPRGKRZSA-N 319.427 -0.729 30 20 DBED Cc1nn(C)cc1C(=O)NCC1(NCC(=O)NCC#N)CCC1 1754978500 IBJPQOUMVSPCKB-UHFFFAOYSA-N 318.381 -0.390 30 20 DBED N#CCN[C@@]1(CO)CCCN(C(=O)[C@@H]2CCc3nncn3C2)C1 1755090741 DBFMPXDWRAPDLH-DOMZBBRYSA-N 318.381 -0.693 30 20 DBED CC#CCN[C@H](C)[C@H](C)NC(=O)Cn1nc2n(c1=O)CCCC2 1755263709 RTPNQIFKIAGEMP-OLZOCXBDSA-N 319.409 -0.113 30 20 DBED CC#CCN1CC([C@H](C)NC(=O)CCS(=O)(=O)N(C)C)C1 1755392156 RUATZCKRWPAZID-LBPRGKRZSA-N 315.439 -0.272 30 20 DBED C=CCN[C@@H](CO)CNC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F 1755632874 ZAHACYYJTDWEHJ-BBBLOLIVSA-N 312.288 -0.415 30 20 DBED C[C@H]1[C@H](NCC(=O)NCC#N)CCN1C(=O)C12CCN(CC1)C2 1755663795 OFIADPOSBGDSKZ-QWHCGFSZSA-N 319.409 -0.699 30 20 DBED CC1(C)CN(C(=O)CC2(O)CCC2)C[C@H]1NCC(=O)NCC#N 1755755683 SHQKWZJWZPAWEA-GFCCVEGCSA-N 322.409 -0.242 30 20 DBED CN(C[C@H](O)CNCC(=O)NCC#N)C(=O)c1cccc(F)c1 1755771015 DCIKCZDXODJBSW-CYBMUJFWSA-N 322.340 -0.512 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C[C@@H](O)CNCc1nnc(C)o1 1755779245 GOJRXXBNEXDNMC-PWSUYJOCSA-N 310.354 -0.675 30 20 DBED C=CC(C)(C)C(=O)NC[C@H]1[C@@H]2CN(C(=O)CNC(=O)NC)C[C@H]12 1756206555 LWLLRMXYBFYXJD-CNDDSTCGSA-N 322.409 -0.052 30 20 DBED CN(C[C@@H]1CCN1C(=O)CSCC#N)C(=O)c1cnn[nH]1 1757295545 YITVIGRYWPLACQ-VIFPVBQESA-N 308.367 -0.266 30 20 DBED N#CC[C@@H](O)CN1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1771945622 WCCVCMXBCKAFSX-OLZOCXBDSA-N 317.411 -0.613 30 20 DBED CN(C)CCN(CC(=O)O)S(=O)(=O)c1ccc(C#N)o1 1777031955 GPNMHXRVBAFOPS-UHFFFAOYSA-N 301.324 -0.212 30 20 DBED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(F)F)CCO2 1834920928 VJJDLSKVJPFUSN-CYBMUJFWSA-N 302.277 -0.659 30 20 DBED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)Cn1ccnc1)C2 1846195118 DATZOOADOIHHCB-UHFFFAOYSA-N 316.317 -0.826 30 20 DBED COC(=O)c1ccc(S(=O)(=O)N2CCOC[C@H]2C#N)o1 266175308 KDMCUBUNCGEACO-MRVPVSSYSA-N 300.292 -0.021 30 20 DBED Cn1c(N2CCOC[C@H]2CC(F)F)c(C#N)c(=O)n(C)c1=O 286274780 FXBBITDWEPZYEB-MRVPVSSYSA-N 314.292 -0.184 30 20 DBED CN(C)C(=O)Cn1nc2n(c1=O)CCN([C@@H]1CC[C@H](C#N)C1)C2 328841347 OSGDAUCWNKOPFM-NWDGAFQWSA-N 318.381 -0.359 30 20 DBED CC/N=C(/O)CN1CCN(/C(O)=N/Cc2cnnn2C)CC1 329718991 ZTSRIKHYCRNFGQ-UHFFFAOYSA-N 309.374 -0.177 30 20 DBED CS(=O)(=O)CC(=O)N1CCN(c2cc(C#N)ccn2)CC1 330567546 HCBFBSJXKJOHBX-UHFFFAOYSA-N 308.363 -0.354 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H](C)CCS(C)(=O)=O 332515475 OQMGSVNFPCHUFJ-ZJUUUORDSA-N 311.429 -0.265 30 20 DBED CC(C)(C)C[C@H](CO)NS(=O)(=O)N1CCO[C@@H](C#N)C1 336880291 BZIZKXHLUZPBBL-MNOVXSKESA-N 305.400 -0.158 30 20 DBED COc1ccc(CNS(=O)(=O)N2CCO[C@H](C#N)C2)cn1 336902381 CGZJNURMJZPUOP-LLVKDONJSA-N 312.351 -0.351 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCO[C@H](C(=O)OC)C1 337094801 PIGIALDFPBWDTQ-QWRGUYRKSA-N 319.383 -0.413 30 20 DBED C=CC[C@H](C)NC(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 342530343 RJRFCZMALFKWSW-QWRGUYRKSA-N 317.411 -0.056 30 20 DBED C=CCCC[C@H](C)NC(=O)C(=O)N1CC[C@H](S(N)(=O)=O)C1 352239435 VVEGKCKLMYVRBH-QWRGUYRKSA-N 317.411 -0.263 30 20 DBED C=C[C@H](CO)NC(=O)C(=O)Nc1ccc(C)c(-n2cnnn2)c1 354567574 OXIVBZBQDWHQTE-SNVBAGLBSA-N 316.321 -0.428 30 20 DBED C=C[C@@H](CO)NC(=O)[C@H](C)NS(=O)(=O)c1c(C)noc1C 356857602 SEGSPILITNZIPG-WPRPVWTQSA-N 317.367 -0.379 30 20 DBED N#C[C@@H]1COCCN1C(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O 408231403 HTYAKSDBFMJYFT-UTUOFQBUSA-N 305.334 -0.087 30 20 DBED C=CCN(C(=O)C[C@@H]1CNCCO1)[C@H]1CCS(=O)(=O)C1 430282148 DUZZVPSMUAYHER-NWDGAFQWSA-N 302.396 -0.433 30 20 DBED C#CC(C)(C)NC(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1 490762126 FQWMDWOWCZAGAJ-UHFFFAOYSA-N 313.335 -0.815 30 20 DBED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)CC(N)=O)c1 491231701 VNXXWLQSLRIUJA-JTQLQIEISA-N 323.374 -0.408 30 20 DBED C#CCN(C)CCCNC(=O)Cc1ccc(S(N)(=O)=O)cc1 491475610 YICZJHZAQBTSAK-UHFFFAOYSA-N 323.418 -0.052 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)Cc2ccncc2)CC1 491698244 AIHIWGLKRRSUGM-UHFFFAOYSA-N 300.362 -0.482 30 20 DBED CNCCCc1[nH]nc(NC(=O)CN2CSCC2=O)c1C#N 516151521 UABYODSMWUWUNA-UHFFFAOYSA-N 322.394 -0.095 30 20 DBED C=CCOC[C@H](NS(=O)(=O)c1c(N)noc1C)C(=O)O 517234043 ORRHSCFNXRFSTJ-ZETCQYMHSA-N 305.312 -0.501 30 20 DBED CN(CCN1CCCC1=O)S(=O)(=O)N1CCO[C@H](C#N)C1 548766354 RKIIXOAVCLGRHU-LLVKDONJSA-N 316.383 -0.990 30 20 DBED N#Cc1ccc(CS(=O)(=O)NC[C@H](O)Cn2ccnn2)cc1 563434561 KFLHLHRZPIFPPE-ZDUSSCGKSA-N 321.362 -0.370 30 20 DBED C=CCNC(=O)CNC(=O)Cn1nnnc1-c1ccsc1 566277816 SCRQKPSFMTWKQE-UHFFFAOYSA-N 306.351 -0.180 30 20 DBED CC(=O)N1CCN(CCNC(=O)c2cccc(C#N)n2)CC1 589308748 OOXURRZGDNMBMN-UHFFFAOYSA-N 301.350 -0.153 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N[C@H](CCC(=O)O)C(=O)O 593254383 AKKUYLJQQUJAFX-HTQZYQBOSA-N 307.328 -0.627 30 20 DBED CCNC(=O)Cn1cc(CN(C)c2cnc(C#N)cn2)nn1 594650324 SQGUNJLKUNJGKZ-UHFFFAOYSA-N 300.326 -0.288 30 20 DBED N#C[C@@]1(F)CCN(C(=O)C(=O)Nc2ccnc(OCCO)c2)C1 595018275 NCABIOFLLABHJB-AWEZNQCLSA-N 322.296 -0.145 30 20 DBED N#CCCN(CCN1CCOCC1)CC(=O)Nc1cnccn1 595333145 MZEMLWVLXSBNHM-UHFFFAOYSA-N 318.381 -0.037 30 20 DBED COC[C@H]1CCN(C(=O)C(=O)N2CCN(CCC#N)CC2)C1 601456270 HBDZPARORHWBLE-ZDUSSCGKSA-N 308.382 -0.461 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C2=NN3CCCN=C3N2)C1=O 614394870 UQKCAOMZOKJUHO-JTQLQIEISA-N 304.354 -0.790 30 20 DBED C=C(C)C[C@H](NC(=O)c1cn(CC(=O)N(C)C)nn1)C(=O)O 630325991 MMUJVADDRWMRNH-VIFPVBQESA-N 309.326 -0.485 30 20 DBED C=CCCS(=O)(=O)N1Cc2nnc(C)n2C[C@H]1C(=O)O 663254021 ZJAKTJAMNHEAIZ-VIFPVBQESA-N 300.340 -0.239 30 20 DBED C#CC[C@@H](CO)NS(=O)(=O)N1CCC(C(=O)OC)CC1 717814571 WXOMSSBTGLMSER-NSHDSACASA-N 304.368 -0.910 30 20 DBED Nc1nc(N)nc(COC(=O)C#Cc2ccc3c(c2)OCO3)n1 761226697 HHILOGVQCMBRTN-UHFFFAOYSA-N 313.273 -0.140 30 20 DBED COCCCNC(=O)[C@@H](C#N)C(=O)c1cc(C(=O)OC)no1 781448556 OLTPTARXTMJHDV-QMMMGPOBSA-N 309.278 -0.064 30 20 DBED N#C[C@H](C(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)C(=O)NC1CC1 815908500 CQVRRRXALWXQSL-GRYCIOLGSA-N 315.329 -0.075 30 20 DBED C#CCN(C)CCCNC(=O)[C@@H](CO)NC(=O)OC(C)(C)C 820688161 LQQDHMDVTFVWDS-GFCCVEGCSA-N 313.398 -0.057 30 20 DBED N#C[C@H]1CN(C(=O)C2=NN3CCCN=C3N2)CCN1C1CC1 827383539 HKNXJXGQGVREDX-NSHDSACASA-N 301.354 -0.836 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N[C@H]1CCN(C2CC2)C1 827489702 UXAWBDKMMYBPNZ-ZDUSSCGKSA-N 307.394 -0.162 30 20 DBED C=CCCO[C@@H](C)C(=O)NN1C(=O)[C@@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C1=O 828691136 IDYIJCYVBLHWPO-MTVMDMGHSA-N 306.318 -0.063 30 20 DBED COc1ccc(C(=O)N[C@@H]2CNC[C@H]2C#N)cc1-n1cnnn1 834499817 NEABQAFSDRJHFV-GHMZBOCLSA-N 313.321 -0.488 30 20 DBED C#CCNC(=O)CN1CCN(Cc2cc3n(n2)CCC3)CC1 844295065 ZJYDYPAYKVVFGU-UHFFFAOYSA-N 301.394 -0.304 30 20 DBED C[C@]1(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CCNC1 852926952 CFTXNEWNCAWENI-AWEZNQCLSA-N 322.390 -0.407 30 20 DBED O=C(NCC#CCO)c1ccc(F)c(C(=O)NCC#CCO)c1 908028725 DHYOEDBQMYKPGD-UHFFFAOYSA-N 318.304 -0.723 30 20 DBED CCN(CCC#N)C(=O)COC(=O)Cc1nc2ncccn2n1 919149789 RYUGKRXBILAPCW-UHFFFAOYSA-N 316.321 -0.028 30 20 DBED N#Cc1cc(C(=O)N[C@H]2CCN(C(=O)Cn3cncn3)C2)c[nH]1 937851420 XJAIDCWMHBBXKP-NSHDSACASA-N 313.321 -0.491 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCN(C(=O)[C@H](C)C#N)C2)nn1 940505000 OJZCUDRVLQJWRP-GHMZBOCLSA-N 302.338 -0.046 30 20 DBED C[C@@H](C#N)C(=O)N1CCCN(C(=O)[C@@H]2CCCN2C(N)=O)CC1 941514702 DNUAQZYFJXWLRF-RYUDHWBXSA-N 321.381 -0.250 30 20 DBED O=C(N[C@H]1[C@H]2C[C@H]1N(C(=O)C#CC1CC1)C2)c1c[nH]c(=O)cn1 947889057 WUUIHOTZLPATAQ-NVBFEUDRSA-N 312.329 -0.488 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)Cc1nc[nH]n1 952175499 IWUWWNOQIWTALB-UTUOFQBUSA-N 319.365 -0.345 30 20 DBED C[C@@H](C#N)C(=O)N1CC(N(C)C(=O)C[C@@H]2CCCC(=O)N2)C1 954885657 JWFGUVYYGGRORZ-QWRGUYRKSA-N 306.366 -0.126 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(C)(NC(=O)[C@@H]2COCCN2C)CC1 956343770 YMQKTAXUUMOTSO-STQMWFEESA-N 322.409 -0.026 30 20 DBED CC(=O)N1CC(C(=O)N[C@@]2(C)CCN(C(=O)[C@@H](C)C#N)C2)C1 956862396 UDBGBUZRTHHWGS-BONVTDFDSA-N 306.366 -0.268 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@](C)(NC(=O)C2CC(=O)NC(=O)C2)C1 957202634 LJKHHTKAFJHTNP-RFAUZJTJSA-N 320.349 -0.694 30 20 DBED C#CCCN1C[C@@H](O)[C@H](CNC(=O)c2cn(C)nc2COC)C1 958190431 GWCPMLYAOCOMHV-IUODEOHRSA-N 320.393 -0.388 30 20 DBED C=CCCn1cc(C(=O)N2C[C@H](O)[C@@H](N(C)C(C)=O)C2)nn1 958362616 BPMGDAAPJVZMPE-STQMWFEESA-N 307.354 -0.482 30 20 DBED N#Cc1cc(C(=O)NC2[C@H]3CN(CC(=O)NC4CC4)C[C@H]23)c[nH]1 958618297 QXUZITYPCOWDCM-STQMWFEESA-N 313.361 -0.175 30 20 DBED CCn1cc(C(=O)N(C)[C@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)nn1 958945814 FLRBDJRQYKQHOM-DLOVCJGASA-N 320.353 -0.899 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1ccn(C)n1 960406898 BXNAHHLVBNZLCC-KGYLQXTDSA-N 317.349 -0.368 30 20 DBED N#CCN1C[C@H]2[C@H](NC(=O)[C@@H]3CN4CC5CC4(CO3)C5)[C@H]2C1 961278890 GUTQJCLRYOCTAM-FYXRNUCBSA-N 302.378 -0.580 30 20 DBED Cc1ccncc1C(=O)N[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1O 962031979 KXCRQULQVRZCEQ-RTXFEEFZSA-N 302.334 -0.149 30 20 DBED Cc1c[nH]nc1C(=O)N[C@H]1COC2(C1)CN(C(=O)[C@@H](C)C#N)C2 965689641 MNIWVFBFTZDTBM-GXSJLCMTSA-N 317.349 -0.023 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)C[C@H]3CCN(C)C3=O)C2)C1 972425628 PPYQWOOXQDCHOQ-PBHICJAKSA-N 319.405 -0.209 30 20 DBED CC#CCN1CCO[C@]2(CCN(C(=O)[C@@]3(C)CNC(=O)C3)C2)C1 972480811 SVCVFHJEJFKHBP-IAGOWNOFSA-N 319.405 -0.161 30 20 DBED C#CCCN1CCO[C@@]2(CCN(C(=O)[C@@H]3CCN(C)C3=O)C2)C1 972506677 OBDXPFZUNXYOCZ-PBHICJAKSA-N 319.405 -0.209 30 20 DBED N#Cc1ccc(C(=O)N2[C@H]3CC[C@H]2CC(NC(=O)C(N)=O)C3)[nH]1 973654185 KRPKVRSSBRJYGH-QWRGUYRKSA-N 315.333 -0.377 30 20 DBED O=C(N[C@H]1[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]21)c1c[nH]c(=O)cn1 977074299 MXFYUQHVIUIYES-HBYGRHMLSA-N 312.329 -0.630 30 20 DBED CN1CC[C@@H](C(=O)N2CC(NC(=O)c3ccc(C#N)[nH]3)C2)C1 990893211 RHQGIYJXZKYFPL-SNVBAGLBSA-N 301.350 -0.221 30 20 DBED O=C(N[C@@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1O)c1cnco1 991648488 WPHJCWDUCLLIJB-NEPJUHHUSA-N 303.318 -0.220 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN(C(=O)c2csnn2)C1 994754466 LUKRBMBZTFNAKJ-LBPRGKRZSA-N 319.390 -0.424 30 20 DBED C#CCN1CCC([C@@H](C)NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 997300162 GJGUKGIMCQHIIS-KWCYVHTRSA-N 307.394 -0.131 30 20 DBED N#CCN1CC=C(CNC(=O)c2cc(=O)n3[nH]cnc3n2)CC1 1001365886 GDWVTYULNKNHKZ-UHFFFAOYSA-N 313.321 -0.697 30 20 DBED N#CCN1CCC[C@@H](NC(=O)[C@@H]2CCc3nnnn3CC2)C1 1008593810 XUNCEFVRVNYFRQ-VXGBXAGGSA-N 303.370 -0.270 30 20 DBED C#CCCN1CCC[C@H](NC(=O)[C@H]2COCCN2C(C)=O)C1 1009579439 NXNUMEFHSVRBEI-LSDHHAIUSA-N 307.394 -0.162 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C(=O)c2ccc3nnnn3c2)CC1 1011509544 PQTMUIYFDTYBJQ-JTQLQIEISA-N 313.321 -0.432 30 20 DBED C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCCN1C(=O)C(N)=O 1014882032 QTJSAZICWUYKQF-SCZZXKLOSA-N 303.322 -0.519 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCN(C(=O)C[C@@H]3CCC(=O)N3)C2)C1 1019363487 VMLGQBQUFOLENU-RYUDHWBXSA-N 318.377 -0.124 30 20 DBED Cc1nnccc1C(=O)N[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1O 1024863769 GMYPNOJBGUPYIM-GGZOMVNGSA-N 303.322 -0.754 30 20 DBED N#Cc1ccccc1CN1CC(CNC(=O)[C@H]2CNC(=O)N2)C1 1031939831 JIDSCVCDAPHRBB-CQSZACIVSA-N 313.361 -0.212 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCC1CN(Cc2cn(C)nn2)C1 1031986782 DHATUYMHTNQMKI-KGLIPLIRSA-N 305.382 -0.046 30 20 DBED CN(C(=O)c1cc(=O)n2[nH]cnc2n1)[C@H]1CCN(CC#N)C1 1033580769 FNHBLCOCUBESAO-VIFPVBQESA-N 301.310 -0.913 30 20 DBED C#CCN1CCO[C@H](CNC(=O)[C@H]2CCc3nc(C)nn3C2)C1 1035453987 HQIUOKWPKOAECK-UONOGXRCSA-N 317.393 -0.401 30 20 DBED N#CCN1CCO[C@@H](CNC(=O)[C@@H]2CCc3nncn3C2)C1 1035610489 XJOZIOOUCYLZPT-NEPJUHHUSA-N 304.354 -0.819 30 20 DBED C=CCN1CCO[C@@H](CNC(=O)c2cccnc2C(N)=O)C1 1035611029 PXUZISPZZBKCQP-NSHDSACASA-N 304.350 -0.203 30 20 DBED C#CCN1CC2(CCN(C(=O)[C@H]3CCS(=O)(=O)N3)CC2)C1 1035854198 IBSBULAYYASIOF-GFCCVEGCSA-N 311.407 -0.764 30 20 DBED CC(C)C#CC(=O)NC[C@@]1(O)CCN(C(=O)CC(=O)N(C)C)C1 1039668477 WUIADCCJYRGJOP-INIZCTEOSA-N 323.393 -0.796 30 20 DBED CC[C@H](C(=O)N1CC[C@](O)(CNC(=O)C#CC2CC2)C1)N(C)C 1039680599 JMGBMTRIMLAQRS-PBHICJAKSA-N 321.421 -0.180 30 20 DBED CC(C)C#CC(=O)N1CC[C@](O)(CNC(=O)[C@H]2CCCO2)C1 1040105119 WQSJBICDDWHOQK-CJNGLKHVSA-N 308.378 -0.096 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)C2(CN(C)C)CC2)C1 1040715573 YYGAAMWGOMTTBA-LRDDRELGSA-N 322.409 -0.433 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)C23CCN(CC2)C3)C1 1040761651 UWSGZHTVDXHBCU-LRDDRELGSA-N 320.393 -0.679 30 20 DBED N#Cc1cnc(N2C[C@@H](O)[C@H](NC(=O)c3ccnnc3)C2)cn1 1041358055 STFNXXOLCSGOME-VXGBXAGGSA-N 311.305 -0.882 30 20 DBED C=CCCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)[C@H](C)OC)C1 1041874115 OUXUALGGJWFWAV-RYUDHWBXSA-N 314.382 -0.308 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)Cc2cncn2C)C1 1041956688 VRUAJNCSRDIATK-UHFFFAOYSA-N 306.366 -0.382 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)[C@H]2C[C@]23CCOC3)C1 1042046848 BHKAAQSQTFCALQ-DOMZBBRYSA-N 324.377 -0.695 30 20 DBED CO[C@@H](C)CC(=O)N1CC(O)(CNC(=O)c2c[nH]c(C#N)c2)C1 1042669884 ZLCHJEHTLJVZQZ-JTQLQIEISA-N 320.349 -0.386 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(O)CN(C(=O)c2[nH]ccc2C)C1 1042806799 KAMAAIOUVGQHEX-HNNXBMFYSA-N 321.377 -0.047 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(O)(CNC(=O)c2[nH]ccc2C)C1 1042846332 RNCQWVBSZVAZLJ-HNNXBMFYSA-N 321.377 -0.047 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)Cn2ccnc2)C1 1043713693 HRVWVAVWNRJTME-UHFFFAOYSA-N 306.366 -0.215 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)[C@]23CCC[C@H]2OCC3)C1 1044192193 WOZWEAOSASVJEC-HSMVNMDESA-N 321.377 -0.205 30 20 DBED COCc1ccc(C(=O)N2CC(O)(CNC(=O)[C@H](C)C#N)C2)o1 1045555311 PQPBSKWIOJGDAD-SNVBAGLBSA-N 321.333 -0.111 30 20 DBED C#CCN1CC[C@@H](N2CCN(C(=O)Cn3ccnc3)CC2)C1 1046088574 QBMJZYRXYOYDFR-OAHLLOKOSA-N 301.394 -0.265 30 20 DBED C=C(C)CN1C[C@H](O)[C@@H](N(C)C(=O)C2CS(=O)(=O)C2)C1 1047394179 LWXKFLHGLWOTJP-RYUDHWBXSA-N 302.396 -0.889 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)Cc2cn(CC)nn2)C1 1047465938 ITDYCLIADYZQGR-KBPBESRZSA-N 305.382 -0.633 30 20 DBED C#CCOCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)COCC)C1 1048148262 YJQKIKYWBPWLNV-STQMWFEESA-N 312.366 -0.907 30 20 DBED C=CCOCC(=O)N(C)[C@H]1CN(C(=O)c2cocn2)C[C@@H]1O 1048554797 HSXDDOZWYWNZTO-RYUDHWBXSA-N 309.322 -0.479 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)c2cnccn2)C[C@@H]1O 1049388625 NPTQTZQVTQSOQP-USWWRNFRSA-N 303.322 -0.720 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)c2cccn2C)C[C@@H]1O 1049389064 SHLFLQKKAVYOCO-WXHSDQCUSA-N 304.350 -0.172 30 20 DBED CC#CCN1CCC2(CC1)CN(C(=O)Cn1c(O)nnc1O)C2 1050739860 YYRKTMQCZIXVOX-UHFFFAOYSA-N 319.365 -0.363 30 20 DBED C#CCCN1CCOC[C@@H]1CNC(=O)c1ccc2nn[nH]c2n1 1050947227 QPLHUJUSUCQKEH-NSHDSACASA-N 314.349 -0.193 30 20 DBED CN(C)Cc1cc(C(=O)NC[C@H]2COCCN2CC#N)no1 1050995870 ILLXLWJOBSUFPJ-NSHDSACASA-N 307.354 -0.310 30 20 DBED CN1CCO[C@H](C(=O)N2CC[C@@H](N3CCN(CC#N)CC3)C2)C1 1052001262 TYDJRQFWCURRBH-CABCVRRESA-N 321.425 -0.941 30 20 DBED CC#CCN1CCN([C@@H]2CCN(C(=O)C(C)(C)C(N)=O)C2)CC1 1052042086 XRGQDFAABYSLCJ-CQSZACIVSA-N 320.437 -0.260 30 20 DBED CC#CCN1CC2(CC[C@H](CNC(=O)[C@@H]3COC(=O)N3)O2)C1 1053596443 UXEXWYRXBXEJRT-NEPJUHHUSA-N 307.350 -0.532 30 20 DBED Cc1nn(C)c(=O)c(C(=O)N2C[C@@H](NCC#N)[C@H](C)C2)c1C 1054960001 PWRHAIKZRYHUFB-BXKDBHETSA-N 303.366 -0.029 30 20 DBED N#Cc1cnc(N2C[C@H]3C(NC(=O)[C@H]4COC(=O)N4)[C@@H]3C2)cn1 1056193126 BPYAWDIKSDASBV-OPRDCNLKSA-N 314.305 -0.993 30 20 DBED N#Cc1cccnc1N1C[C@H]2C(NC(=O)[C@H]3CCNC3=O)[C@@H]2C1 1056355477 KUWAVWPERGDODN-QJPTWQEYSA-N 311.345 -0.360 30 20 DBED Cc1nn[nH]c1C(=O)N[C@H]1[C@@H]2CN(c3ccnc(C#N)n3)C[C@@H]21 1056362045 KSQGIKSDIQNFPP-WOFXILAISA-N 310.321 -0.361 30 20 DBED C[C@]1(C(=O)N2CC[C@@H](Nc3ccc(C#N)nn3)C2)CCNC1=O 1056777095 KBQCYBZHPVYEBU-ABAIWWIYSA-N 314.349 -0.113 30 20 DBED C=C[C@H](CC)CC(=O)N(CCO)CCNC(=O)Cn1cnnn1 1058466486 OWJJOXSLZQTYBU-GFCCVEGCSA-N 324.385 -0.788 30 20 DBED C[C@]1(C(=O)N(CCO)CCNC(=O)C#CC2CC2)CCOC1 1058555291 ANSXNCIRVGUEGF-INIZCTEOSA-N 308.378 -0.237 30 20 DBED N#Cc1nccc(N2CC[C@H](NC(=O)[C@@H]3CCC(=O)NC3)C2)n1 1058594052 HFHZKLDBIMNRHE-MNOVXSKESA-N 314.349 -0.431 30 20 DBED CCn1nc(C)c(C(=O)NCCN(CCO)C(=O)[C@H](C)C#N)n1 1058663013 FOYXDPYICXIFTR-SNVBAGLBSA-N 322.369 -0.683 30 20 DBED C=C1CC(C)(C(=O)N(CCO)CCNC(=O)c2cnn[nH]2)C1 1058772378 OUJMVFHQGZTSDW-UHFFFAOYSA-N 307.354 -0.288 30 20 DBED Cc1cc(O)ncc1C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N 1058786115 HQBKIGGIGIHWBH-NSHDSACASA-N 320.349 -0.194 30 20 DBED N#Cc1cncc(NC[C@H]2CCN(C(=O)[C@H]3CNC(=O)N3)C2)n1 1060972076 CJIMZOUABXCPFF-MWLCHTKSSA-N 315.337 -0.710 30 20 DBED COCCOCC(=O)NC[C@H]1COCCN1C(=O)[C@@H](C)C#N 1061436600 HNLWFTWJKLICLE-RYUDHWBXSA-N 313.354 -0.847 30 20 DBED C=CCCC(=O)N1CCOC[C@H]1CNC(=O)[C@@H]1CCNC(=O)C1 1061497770 WCAOMLVAHHBUKS-CHWSQXEVSA-N 323.393 -0.178 30 20 DBED C=C(C)CCC(=O)NC[C@@H]1COCCN1C(=O)Cn1cnnn1 1061628780 FIOPUJRRQCRQSE-GFCCVEGCSA-N 322.369 -0.627 30 20 DBED C=CCOCC(=O)NCC1(NC(=O)[C@@H]2CNC(=O)N2)CCC1 1062703594 IKYVTAIKGJUAJH-JTQLQIEISA-N 310.354 -0.975 30 20 DBED C[C@H]1CCCN(C(=O)C(N)=O)[C@@H]1CN=c1cc[nH]c(C#N)n1 1063956383 IVCYJORBGGRDFN-VHSXEESVSA-N 302.338 -0.706 30 20 DBED C[C@@H]1CCCN(C(=O)C(N)=O)[C@H]1CNc1ccc(C#N)nn1 1063956442 JHZDWSAVTMKNOA-KOLCDFICSA-N 302.338 -0.127 30 20 DBED N#Cc1nccc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)c2nccnc2N)n1 1064225722 PKBAYKFWGIMLHM-VDDIYKPWSA-N 322.332 -0.272 30 20 DBED C=CCOCC(=O)N1CCO[C@H](CNC(=O)Cn2ccnc2)C1 1064974138 MDQHOLCWSXSDNE-CYBMUJFWSA-N 322.365 -0.571 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)c2ncn(C)n2)CCO1 1065116285 SEPBLNKMZRGDFK-NSHDSACASA-N 307.354 -0.262 30 20 DBED Cn1nncc1C(=O)N[C@@]1(C)CCN(c2cncc(C#N)n2)C1 1065251177 RNPDUPLZVYKWDB-AWEZNQCLSA-N 312.337 -0.124 30 20 DBED C=C1CC(C)(C(=O)N2CCO[C@H](CNC(=O)CNC(C)=O)C2)C1 1065592938 IWKXBOSGNGQTRC-CYBMUJFWSA-N 323.393 -0.178 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H](NC(=O)CCn2cnnn2)CC1 1066442757 FEGPKJWDXAESSG-VXGBXAGGSA-N 319.369 -0.280 30 20 DBED N#Cc1cncc(N2CCOC[C@H]2CNC(=O)c2cn[nH]c2)n1 1066466033 JHLGTOHXTXVIOQ-GFCCVEGCSA-N 313.321 -0.293 30 20 DBED N#Cc1cnc(N2CC[C@@]3(CCCN(C(=O)C(N)=O)C3)C2)cn1 1066869675 GLEWIHJARNAGEL-HNNXBMFYSA-N 314.349 -0.348 30 20 DBED C=CCCC(=O)N[C@H]1COC2(C1)CN(C(=O)Cn1cncn1)C2 1068756358 BIBJUONBNGXYNW-GFCCVEGCSA-N 319.365 -0.270 30 20 DBED N#Cc1ccc(N2CC[C@]3(NC(=O)C(N)=O)CCC[C@@H]23)nn1 1069282175 ISPVFMPDIODCMT-QMTHXVAHSA-N 300.322 -0.549 30 20 DBED CN(C(=O)[C@@H]1CCNC1=O)C1CC(Nc2cncc(C#N)n2)C1 1069787497 MTMRIEWZMMVPEW-QEWOUOOISA-N 314.349 -0.114 30 20 DBED C=CCN1CCn2ncc(CNC(=O)c3cn(C)nn3)c2C1 1069859009 AFBLNDSYYGRTJK-UHFFFAOYSA-N 301.354 -0.057 30 20 DBED C=CCCN1CCn2ncc(CNC(=O)[C@@H]3COC(=O)N3)c2C1 1069859182 JAMKSKJHGAKJRV-LBPRGKRZSA-N 319.365 -0.001 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)CN2CC[C@H](C)C2)C1 1070029043 RRIWTRGRMMQURX-ZNMIVQPWSA-N 316.409 -0.405 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCCN(C(=O)[C@H](C)OCC)C1 1070463584 IFINSQGYSYJZGZ-QWHCGFSZSA-N 323.393 -0.342 30 20 DBED C=CCN[C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1c1cn(C)cn1 1070488553 AQJHBAMSARZWHW-WCQYABFASA-N 315.381 -0.068 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CCCN(C(=O)c2cnnn2C)C1 1070680543 RZNZEKDEUVWLNT-NWDGAFQWSA-N 319.365 -0.426 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC[C@@H](NC(=O)C(N)=O)C1 1070725351 FEYRXWRSBARWIF-VXGBXAGGSA-N 324.381 -0.950 30 20 DBED CC#CCN1C[C@H]2C[C@@H]3CN(C(=O)[C@@H]4CCC(=O)N4)C[C@@]3(C1)O2 1070882583 WSPPLIMIBZTWLV-VWPFQQQWSA-N 317.389 -0.410 30 20 DBED C=CCCOCC(=O)N1CCC[C@@H](NC(=O)CNC(C)=O)C1 1070900993 FVWDAILBBRUNOY-CYBMUJFWSA-N 311.382 -0.178 30 20 DBED C[C@H](C#N)C(=O)N1CCC(=O)NCCN(Cc2ccon2)CC1 1070947500 YYZRIYACRDYLPG-GFCCVEGCSA-N 319.365 -0.015 30 20 DBED Cn1ncc(C(=O)N2CCC[C@@H](NC(=O)CSCC#N)C2)n1 1070984804 WSOCVSOQJBSUNN-SNVBAGLBSA-N 322.394 -0.207 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](C)[C@@H](NC(=O)CN2CCOCC2)C1 1072035003 GIYDSVXXZYEGAM-CABCVRRESA-N 321.421 -0.059 30 20 DBED C=C(C)CCC(=O)N1C[C@H](C)[C@@H](NC(=O)Cn2cnnn2)C1 1072212976 ACCFJWHVKQUGIM-RYUDHWBXSA-N 306.370 -0.008 30 20 DBED C=CCCC(=O)N[C@@H]1CN(C(=O)CN2CCOCC2=O)C[C@H]1C 1072320921 MLFQEYOFJDYODH-CHWSQXEVSA-N 323.393 -0.226 30 20 DBED CCO[C@H](C)C(=O)N1CC(N2CCN(C(=O)[C@H](C)C#N)CC2)C1 1073597392 YGQQHGMKXFBBGI-CHWSQXEVSA-N 322.409 -0.074 30 20 DBED N#CCN1CCCO[C@H](CNC(=O)[C@H]2CCCN(C(N)=O)C2)C1 1073687005 GZNCZJKLCFMHPX-QWHCGFSZSA-N 323.397 -0.492 30 20 DBED CC#CCN1CCO[C@H]2CCN(C(=O)Cn3cnnc3O)C[C@@H]21 1074218666 CCZPXFVUKGZTNM-STQMWFEESA-N 319.365 -0.691 30 20 DBED Cc1[nH]nc(C(=O)N2CC[C@H]3OCCN(CC#N)[C@@H]3C2)c1O 1074218935 HQTQZUZDHHBZCH-GHMZBOCLSA-N 305.338 -0.137 30 20 DBED CC#CCN1CCO[C@H]2CCN(C(=O)C(C)(C)C(N)=O)C[C@@H]21 1074270691 IPTXWGDJFPZRPR-STQMWFEESA-N 307.394 -0.177 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(O)(CNC(=O)[C@H]2CCOC2)CC1 1074704797 IMTUDGRNGKDCEH-RYUDHWBXSA-N 309.366 -0.348 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)c1[nH]cnc1C 1076219859 FNDGCFKGLJEATA-JTQLQIEISA-N 319.365 -0.518 30 20 DBED C#CCO[C@H](C)C(=O)NCC[C@H](C)NC(=O)Cn1cncn1 1076510480 MVFGZDWZQMRVOU-NWDGAFQWSA-N 307.354 -0.673 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3ncncc3C2)C1 1077119184 CQGXRRDGUKQDHW-ZLKJLUDKSA-N 301.350 -0.734 30 20 DBED N#Cc1ccc(CN2C[C@@H](O)[C@H](NC(=O)c3cnon3)C2)s1 1077872582 ZOWNFHQNGUHKPB-VXGBXAGGSA-N 319.346 -0.022 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@H](C)NC(=O)CNC(N)=O 1078533206 FPAYQMXBXISKHK-AXFHLTTASA-N 312.370 -0.743 30 20 DBED CN1C(=O)CN(CC(=O)N[C@@H]2C[C@@H](NCC#N)C23CCC3)C1=O 1078783894 OVAAKMQMFXLTOY-GHMZBOCLSA-N 319.365 -0.579 30 20 DBED C#CCO[C@H](C)C(=O)NC1(CO)CCN(C(=O)[C@H](C)C#N)CC1 1080861457 TWKHKAWFAIKGCO-CHWSQXEVSA-N 321.377 -0.346 30 20 DBED C=CCCC(=O)N1CCC(CO)(NC(=O)[C@@H]2CNC(=O)N2)CC1 1080973472 OMCPECVEZYWWPW-NSHDSACASA-N 324.381 -0.896 30 20 DBED CN(C)c1cnc(C(=O)N2CCO[C@@H]3CN(CC#N)C[C@@H]32)cn1 1083081718 WMZLKBAVGPCKAM-QWHCGFSZSA-N 316.365 -0.409 30 20 DBED Cn1cc(C(=O)N2CCO[C@@H]3CN(CC#N)C[C@@H]32)ccc1=O 1083129999 QMTHUXJGRXFUGJ-QWHCGFSZSA-N 302.334 -0.566 30 20 DBED C=CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CCc1cn(C)nn1 1083292656 QILYSXIYAVMMEG-UONOGXRCSA-N 305.382 -0.155 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)c2cnc3c(c2)nnn3C)C1 1083649806 RAJRMMHSXAILJA-OLZOCXBDSA-N 314.349 -0.839 30 20 DBED C=CCCn1cc(C(=O)N[C@@H]2CCCC[C@H]2NCC(N)=O)nn1 1085358866 XKSXWPVWLGKKEX-VXGBXAGGSA-N 320.397 -0.030 30 20 DBED C=CCN[C@H]1CCCCCN(C(=O)CN2CCNC(=O)C2)C1 1088359331 WTXPVJGYCQZCEP-AWEZNQCLSA-N 308.426 -0.035 30 20 DBED CCC(=O)NCC(=O)N[C@H](C)C[C@@H](C)N=c1cc[nH]c(C#N)n1 1089259610 ONOFVLXYHKOOCP-GHMZBOCLSA-N 318.381 -0.008 30 20 DBED CC#CCN1CC[C@H](NC(=O)Cn2cc(C3CC3)nn2)[C@H](O)C1 1090319587 QZIWOXNSBNKFRA-DZGCQCFKSA-N 317.393 -0.270 30 20 DBED C=C(C)CCN1CC[C@H](NC(=O)c2cc(=O)n(C)cn2)[C@H](O)C1 1090336527 IQUIARVWAMJNJV-GXTWGEPZSA-N 320.393 -0.089 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@H]1O 1090392140 QPTZRZBUDVBJMJ-CHWSQXEVSA-N 302.334 -0.178 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)C2CCN(C(N)=O)CC2)[C@H](O)C1 1090797461 ZKQXZDBRZBOSGX-ZIAGYGMSSA-N 324.425 -0.095 30 20 DBED N#Cc1nc(=N[C@@H]2CC[C@H](CNC(=O)CC(N)=O)C2)cc[nH]1 1091569042 HNQAVMOAWGQUBT-VHSXEESVSA-N 302.338 -0.658 30 20 DBED C#CCCN1C[C@@H](C)[C@H](CNC(=O)[C@@H]2CCS(=O)(=O)N2)C1 1093203212 KZOFTMOZNLDMAB-UPJWGTAASA-N 313.423 -0.615 30 20 DBED CCn1nc(C(=O)NCCNc2nccnc2C#N)ccc1=O 1093792639 YCALPRRJQYWFCX-UHFFFAOYSA-N 313.321 -0.233 30 20 DBED N#Cc1nc(=NCCNC(=O)c2ccnc3c2CC(=O)N3)cc[nH]1 1094247757 IEYMFUXVNJPYMB-UHFFFAOYSA-N 323.316 -0.498 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)C[C@H]3COC(=O)C3)CC2=O)C1 1094721586 GKYYGCTUKHVFHF-NEPJUHHUSA-N 321.377 -0.473 30 20 DBED Cc1cn(C)nc1C(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1 1094736462 IVYNXLHNOPAQDW-NSHDSACASA-N 316.365 -0.733 30 20 DBED C=CCCN1CC(N2C[C@H](NC(=O)c3[nH]nnc3C)CC2=O)C1 1094772431 SYQBEFVDVGPVLF-LLVKDONJSA-N 318.381 -0.296 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H]1CCCN(C(=O)CNC(N)=O)C1 1095274747 SIDREJIHZXHGIQ-LLVKDONJSA-N 302.338 -0.554 30 20 DBED Cc1cc(C#N)nc(N(C)CCCNC(=O)[C@H](C)NC(N)=O)n1 1095534572 VWIUCGARUAQFDO-JTQLQIEISA-N 319.369 -0.344 30 20 DBED CN(CCCNC(=O)c1cnn(C)n1)c1cnc(C#N)cn1 1095587769 FEYDTQSXXXZWEW-UHFFFAOYSA-N 300.326 -0.267 30 20 DBED CC(=O)N[C@@H](C)C(=O)N[C@H]1CCCN(c2cnc(C#N)cn2)C1 1096134403 IROOJMZZXHRFLB-JQWIXIFHSA-N 316.365 -0.042 30 20 DBED N#Cc1c[nH]ccc1=N[C@H](CNC(=O)CCNC(N)=O)C1CC1 1096668237 CKVRSWYMXSSHNI-CYBMUJFWSA-N 316.365 -0.260 30 20 DBED CCOCCOCC(=O)NC[C@H](C)N=c1cc[nH]c(C#N)n1 1097906614 VJFJYDLIEDGYNH-NSHDSACASA-N 307.354 -0.260 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1C(F)(F)F 1099292126 HHLUUNUUISCPNO-HTQZYQBOSA-N 302.260 -0.564 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)CC2CCCC2)[C@H](O)C1 1099631568 XFCLRJYGOCHEPY-LSDHHAIUSA-N 321.421 -0.133 30 20 DBED C=C(Cl)CN1CC[C@@H](NC(=O)C(C)(C)C(N)=O)[C@@H](O)C1 1099882429 RMOUUGPLHDPRBT-ZJUUUORDSA-N 303.790 -0.198 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)CCC(F)F)[C@@H](O)C1 1099918551 NHOOGPHLQPTTNR-MNOVXSKESA-N 319.352 -0.115 30 20 DBED C#CCN1CC[C@@H](NC(=O)CCNC(=O)C2CCC2)[C@@H](O)C1 1100031417 FARPXLHMLDEDGD-KGLIPLIRSA-N 307.394 -0.523 30 20 DBED C#CCN1CC[C@H](NC(=O)CC(=O)NCC(F)(F)F)[C@H](O)C1 1100055498 DLBNWBYGCHLILK-VHSXEESVSA-N 321.299 -0.760 30 20 DBED COCC#CCNC1CC(CNC(=O)c2cc(=O)n(C)o2)C1 1100273962 QGXZUXGIIZFSLV-UHFFFAOYSA-N 307.350 -0.274 30 20 DBED COCC(=O)N[C@H](C)C(=O)NCCN(C)c1ccc(C#N)cn1 1100378043 FAEDCQKVZOFYRW-LLVKDONJSA-N 319.365 -0.343 30 20 DBED C[C@@H](C(=O)NCCN(C)c1ccnc(C#N)n1)S(C)(=O)=O 1100393907 BBVLNSXYGWTSPI-VIFPVBQESA-N 311.367 -0.666 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)CCn2ccnc2)C1 1100550594 RMRXTKSWSDLPNE-UHFFFAOYSA-N 317.393 -0.493 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CC(CNC(=O)c2nc[nH]n2)C1 1100768192 WHGNNXQPDFIHRS-KPPDAEKUSA-N 304.354 -0.959 30 20 DBED N#CCNC(=O)CNC1CC(CNC(=O)c2cccnn2)C1 1100775899 NUFPIYDNJJISIA-UHFFFAOYSA-N 302.338 -0.786 30 20 DBED CC(=O)N[C@H](C)C(=O)NC[C@@H]1CCN(c2ccnc(C#N)n2)C1 1100921010 AMHPSGWYVWIFDZ-PWSUYJOCSA-N 316.365 -0.185 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)Cn1ccccc1=O 1101628559 QTROWWJAHZGZOD-UHFFFAOYSA-N 312.333 -0.498 30 20 DBED CC(=O)NCC(=O)N1CC[C@H](CN(C)c2nccnc2C#N)C1 1102424867 BXBFNPUTCHVCQP-GFCCVEGCSA-N 316.365 -0.231 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1CCNC(=O)[C@@H]1CCOC1 1102747957 OCNNHPKQAIWPPK-MGPQQGTHSA-N 322.409 -0.263 30 20 DBED C[C@H](CN=c1cc[nH]cc1C#N)CNC(=O)[C@@H]1COC(=O)N1 1103944985 IAEWZORLIATIJG-SKDRFNHKSA-N 303.322 -0.352 30 20 DBED CC(C)[C@@H](CNC(=O)[C@H](C)NC(N)=O)Nc1cncc(C#N)n1 1105178349 WSUSEXLUYRJISU-GXSJLCMTSA-N 319.369 -0.042 30 20 DBED C#CCNCc1cn(C2CN(C(=O)c3c[nH]nc3CC)C2)nn1 1105275472 RASZDHRFDOMDNA-UHFFFAOYSA-N 313.365 -0.017 30 20 DBED C#CCNCc1cn(C2CN(C(=O)c3csnn3)C2)nn1 1105292631 YCXZMGHKMLLDEM-UHFFFAOYSA-N 303.351 -0.451 30 20 DBED CN1CC[C@@H](C(=O)N2CC(n3cc(CNCC#N)nn3)C2)C1 1105372752 WDYKVCKLQPNREU-LLVKDONJSA-N 303.370 -0.774 30 20 DBED CN(CCN(C)c1ccnc(C#N)n1)C(=O)c1cnnn1C 1105393453 XGFWZAYJVLHCBL-UHFFFAOYSA-N 300.326 -0.315 30 20 DBED CN(CCN(C)c1ccnc(C#N)n1)C(=O)[C@]1(C)CCNC1=O 1105557233 BLCXHDTXKXZYTE-OAHLLOKOSA-N 316.365 -0.231 30 20 DBED CC(=O)N1C[C@]2(C[C@@H](O)[C@H](NCC(=O)NCC#N)C2)[C@@H]1C(C)C 1105587970 PPKJUJPEKRUFMI-VDERGJSUSA-N 322.409 -0.388 30 20 DBED N#Cc1cncc(NC[C@@H]2CCC[C@H]2NC(=O)CC(N)=O)n1 1105652014 OUAVLIFEVSZNDO-GXSJLCMTSA-N 302.338 -0.080 30 20 DBED C#CCCCC(=O)NC[C@@H](O)CNc1ncc(C(=O)OC)cn1 1105798401 ATEJKALCIHYHIS-GFCCVEGCSA-N 320.349 -0.044 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)C(=O)NCC2CC2)nc1 1105953649 DJRPOZAYSIGULD-GFCCVEGCSA-N 317.349 -0.632 30 20 DBED Cn1cncc1C(=O)NC[C@@H](O)CNc1cncc(C#N)n1 1106010893 HIGBALDNHFQMDS-JTQLQIEISA-N 301.310 -0.715 30 20 DBED C[C@@H]1OCCO[C@@H]1C(=O)NC[C@@H](O)CNc1cnc(C#N)cn1 1106162102 VOFQSJFUGREHHR-GAFUQQFSSA-N 321.337 -0.959 30 20 DBED C[C@@H](CCNc1cncc(C#N)n1)NC(=O)Cn1cnnc1O 1106286857 BBYXEPLGZXBOJT-VIFPVBQESA-N 316.325 -0.348 30 20 DBED C#CCNC[C@@H]1CN(C(=O)CCCn2c(O)nnc2O)C[C@H]1C 1106347263 SVQFRMYMENOGOD-VXGBXAGGSA-N 321.381 -0.213 30 20 DBED C[C@H](NC(N)=O)C(=O)NC/C=C\CNc1cnc(C#N)cn1 1107168379 GJIASXVJKFCXIV-XADBCAIWSA-N 303.326 -0.511 30 20 DBED C#CCCN1CC(n2cc(CNC(=O)CCN(C)C)nn2)C1 1107202620 NXCQOEHZJHSXGQ-UHFFFAOYSA-N 304.398 -0.274 30 20 DBED C[C@@H](C(=O)NC/C=C\CNc1cncc(C#N)n1)S(C)(=O)=O 1107575780 FXFGZLHPZWIREO-XOULXFPDSA-N 323.378 -0.134 30 20 DBED CC(C)C#CC(=O)NC[C@@]1(C)CN([C@H]2CCNC2=O)CCO1 1107927425 WNGFXOJAUQOGNE-BBRMVZONSA-N 307.394 -0.259 30 20 DBED C[C@H](CNc1ncccc1C#N)NC(=O)C1CS(=O)(=O)C1 1107951723 GFYBNOGJNHVIHG-SECBINFHSA-N 308.363 -0.086 30 20 DBED C[C@]1(CNC(=O)CCCn2cncn2)CN(CC#N)CCO1 1108324987 JKAZUQJCOXOKKR-AWEZNQCLSA-N 306.370 -0.211 30 20 DBED CO[C@H](C)CCC(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1 1108536650 HOPODJRYCIWYCM-NEPJUHHUSA-N 308.382 -0.274 30 20 DBED C[C@@H](CN(C)c1ccnc(C#N)n1)NC(=O)CNC(=O)C1CC1 1108833801 SVFQWXNVDYVQQS-JTQLQIEISA-N 316.365 -0.185 30 20 DBED CN(CCCN=c1cc[nH]cc1C#N)C(=O)CS(C)(=O)=O 1109381020 BTAXVSUEAGKUAI-UHFFFAOYSA-N 310.379 -0.320 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H](CNc1nccn2nnnc12)C1CC1 1109796169 QBRGRKWCFGVRTC-WPRPVWTQSA-N 300.326 -0.014 30 20 DBED N#Cc1cccnc1NC[C@H](NC(=O)Cn1ncnn1)C1CC1 1109918027 UHTUHCDQICJRDO-LBPRGKRZSA-N 312.337 -0.053 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CN(c2ncnc3[nH]cnc23)C[C@@H]1O 1111177047 VTABCNYCDXBRGC-UTLUCORTSA-N 315.337 -0.480 30 20 DBED CC(=O)NCC(=O)N1C[C@H](C)[C@H](CNc2cncc(C#N)n2)C1 1111232319 FNLGMRCWIMQKOQ-CMPLNLGQSA-N 316.365 -0.009 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)CCNC(N)=O)C[C@@H](C)O2 1111552344 CMPXHKNLXPUVEV-CYBMUJFWSA-N 322.409 -0.240 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1COCCN1c1nccnc1C#N 1111663201 QTQSKSYAUIFVPV-WDEREUQCSA-N 300.322 -0.171 30 20 DBED COC[C@@H](C)C(=O)NC[C@H]1COCCN1c1ccc(C#N)nn1 1111665863 QKZNQICIOWLFTG-YPMHNXCESA-N 319.365 -0.048 30 20 DBED COCCC(=O)NC[C@@H]1CN(c2nccnc2C#N)C[C@H]1O 1112690167 XRTZOLRJGGHSHD-ZYHUDNBSSA-N 305.338 -0.702 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(c2cc(F)ncn2)C[C@@H]1O 1112738004 LHQSILPTCAGZHE-NEPJUHHUSA-N 322.340 -0.431 30 20 DBED C#CCNC(=O)CC(=O)N1CCN(Cc2ccn(C)n2)CC1 1112774494 ZJVHKECOCUSUAV-UHFFFAOYSA-N 303.366 -0.796 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)CCc2cccnc2)CC1 1113071868 ZKBAPAUWDPZTQW-UHFFFAOYSA-N 315.377 -0.202 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)c2nonc2C)CC1 1113727511 YNCHQMRXEJQEMK-NSHDSACASA-N 307.354 -0.173 30 20 DBED N#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)CC3CCOCC3)[C@H]2C1 1114069609 MEXXNNNICXILMW-VIKVFOODSA-N 320.393 -0.511 30 20 DBED C=CCOCCCC(=O)N[C@H]1[C@@H]2CN(Cc3nnn(C)n3)C[C@@H]21 1114109685 XZLKUGYSMFKYDK-JYAVWHMHSA-N 320.397 -0.261 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@H]2CN(Cc3conc3C)C[C@H]12 1114157266 BHMRSEVFJWVUCP-STQMWFEESA-N 316.361 -0.331 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)Cc3n[nH]c(C)n3)[C@H]2C1 1114246636 WOBNKGBYNNMBHW-HBYGRHMLSA-N 318.381 -0.996 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)[C@H]3CCCCN3C)[C@@H]2C1 1114465662 IXXOUUATEKIWTF-MGPQQGTHSA-N 320.437 -0.181 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)[C@@H]3[C@H]4COC[C@H]43)[C@H]2C1 1114714502 TZZSQBYVGNTWTF-SNIKSBKOSA-N 319.405 -0.384 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)C3(CF)CC3)[C@H]2C1 1114819909 XIPKYAHCRIPSPC-NDBYEHHHSA-N 307.369 -0.080 30 20 DBED CN(Cc1nnn(CC(=O)NCC#N)n1)C(=O)c1ccccc1 1116111115 NVWZTHGNVCPVPA-UHFFFAOYSA-N 313.321 -0.415 30 20 DBED C[C@H]1CC(=O)NCCN1C(=O)C(=O)Nc1ccn(CCC#N)n1 1116698519 ZGVFTPDAWFRIQL-JTQLQIEISA-N 318.337 -0.528 30 20 DBED CNC(=O)NCC(=O)N(C)C[C@H](C)Nc1cncc(C#N)n1 1120819256 YIBMRXZSRCBJLR-VIFPVBQESA-N 305.342 -0.464 30 20 DBED N#Cc1c[nH]ccc1=N[C@H](CO)CNC(=O)c1cc[n+]([O-])cc1 1121010708 QDGWYFTYLUCLHG-ZDUSSCGKSA-N 313.317 -0.789 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)c2ccc(C#N)[nH]2)nn1 1121317324 KQPQFBGQIYTVLC-LLVKDONJSA-N 311.305 -0.249 30 20 DBED CCNC(=O)CC(=O)N1C[C@@H](N=c2cc[nH]c(C#N)n2)C[C@H]1C 1123215416 WBTLZDBKSYGPLJ-MNOVXSKESA-N 316.365 -0.302 30 20 DBED C=CCCC(=O)N(C)C[C@H](O)CN(C)c1nccn2nnnc12 1124963475 OPICDLHDZXIRAQ-NSHDSACASA-N 319.369 -0.259 30 20 DBED C#CCNC(=O)CC(=O)NCCNCc1cccc(OC)n1 1125978190 NQZYXYUUFZSMRM-UHFFFAOYSA-N 304.350 -0.565 30 20 DBED C#CCO[C@@H](C)C(=O)NCCNCc1cc(=O)n2nccc2[nH]1 1127046136 MNMVUVLKYHBUCS-NSHDSACASA-N 317.349 -0.733 30 20 DBED COCC#CCN1CCn2ncc(CNC(=O)COC)c2C1 1128136691 RQCGNNCYEWOSJY-UHFFFAOYSA-N 306.366 -0.389 30 20 DBED COCC#CCNCCNC(=O)[C@H](C)n1nnnc1C(C)(C)C 1129061101 KYWBMKBYNPKEEY-LBPRGKRZSA-N 322.413 -0.113 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@@H](NC(C)=O)C1CCCC1 1131080482 ZSXCEDHVXPSGSY-HNNXBMFYSA-N 324.425 -0.311 30 20 DBED C=CCNC(=O)CN1CCNC(=O)CCN(C(=O)C(C)C)CC1 1131325687 RANPNBNQINLCGF-UHFFFAOYSA-N 324.425 -0.405 30 20 DBED C#CCNC(=O)CN1C[C@H](NC(=O)c2cncn2C)CC[C@H]1C 1132156415 FDPCZYCNFGJQIF-CHWSQXEVSA-N 317.393 -0.248 30 20 DBED C[C@H]1CC[C@@H](NC(=O)c2cncn2C)CN1CC(=O)NCC#N 1132156956 KDRWIZLXXONOMS-NWDGAFQWSA-N 318.381 -0.357 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)Cc2nonc2C)C1=O 1146237776 AFYKHEHPQKOYMY-NSHDSACASA-N 307.354 -0.587 30 20 DBED COCC#CCN1CCC2(C1)CN(C(=O)[C@@H]1COCCO1)C2 1147030893 ARWMUHLUVGSNRR-AWEZNQCLSA-N 308.378 -0.414 30 20 DBED CCOCCNC(=O)CN1CCC2(C1)CN(C(=O)[C@H](C)C#N)C2 1147212321 QOGYHHKSITULLK-CYBMUJFWSA-N 322.409 -0.167 30 20 DBED C[C@H](C(=O)NC(N)=O)N1CCC2(CN(C(=O)C#CC3CC3)C2)C1 1147541165 KRDKBOXSUMMKTR-LLVKDONJSA-N 318.377 -0.483 30 20 DBED C=C(C)CN1CCCO[C@H](CNC(=O)Cn2cnnc2O)C1 1149566268 MCGZSRVLSNFZIO-GFCCVEGCSA-N 309.370 -0.233 30 20 DBED C#CCCN1CCCO[C@H](CNC(=O)[C@@]2(C)CNC(=O)C2)C1 1150023253 SUZFBPNUMDLDHI-CZUORRHYSA-N 307.394 -0.257 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CCCCN1CC 1152458622 RRZIALYABGTWGT-ZIAGYGMSSA-N 308.426 -0.296 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)COC[C@H]1CCCO1 1153684071 FXLFUXDQAINOFX-QWHCGFSZSA-N 311.382 -0.974 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NCCCNCc1nc(=O)n(C)[nH]1 1158313784 NXOKABALSJEUTD-NEPJUHHUSA-N 323.397 -0.315 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)C[C@@H]1CCCC(=O)N1 1162184039 QZYKWYAWCAJLHU-OLZOCXBDSA-N 322.409 -0.721 30 20 DBED C#CCNC(=O)CNCCCC[C@@H](C)NC(=O)Cc1ncc[nH]1 1175880915 HCHDZFUSWKYFJY-CYBMUJFWSA-N 319.409 -0.034 30 20 DBED C=CCCOCC(=O)NCCCNCC(=O)NCCOCC 1177264484 LIIXTVXJSQICKT-UHFFFAOYSA-N 315.414 -0.172 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@@H](NCCOCCO)C1 1183353969 JOSMRSXNNVNCSA-CABCVRRESA-N 309.410 -0.717 30 20 DBED C=CCn1cc(C(=O)N2CC[C@@H](NCC(=O)N(C)C)C2)nn1 1186178231 YNEVMBIMEAFRHR-LLVKDONJSA-N 306.370 -0.644 30 20 DBED C#CCNC[C@H]1CN(C(=O)[C@@H]2COCCO2)CC12CCOCC2 1186264221 FFONSMGDVABXEI-GJZGRUSLSA-N 322.405 -0.120 30 20 DBED CC(C)NC(=O)CN(C)CC(=O)N1CC[C@H]2CN(CC#N)C[C@H]21 1188450499 UFGFGOPWUVDRTP-UONOGXRCSA-N 321.425 -0.501 30 20 DBED COCC(=O)N[C@@H]1CN(Cc2ccc(OCC#N)cc2)C[C@H]1O 1190588397 SIYDBNNNLVDAHG-HUUCEWRRSA-N 319.361 -0.103 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)c2cncs2)C1 1191361817 DFTFIUMNADGNME-GMTAPVOTSA-N 322.390 -0.944 30 20 DBED COc1nscc1CN1C[C@@H](O)[C@H](NC(=O)[C@H](C)C#N)C1 1191873680 ZKUWFVRSGLDTHE-FBIMIBRVSA-N 310.379 -0.027 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(CC2CC(C)C2)C[C@H]1O 1192396357 MBEPLWJTWLTAHB-NWINJMCUSA-N 307.394 -0.667 30 20 DBED Cc1n[nH]c(C)c1C(=O)N1CC[C@H](N(C)CC(=O)NCC#N)C1 1192889986 YBKQLGBOJSSUQS-LBPRGKRZSA-N 318.381 -0.187 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2nncn2C)C[C@H]1O 1199315580 ZVTAFGCVUNESAH-QJPTWQEYSA-N 309.370 -0.933 30 20 DBED C#CCNC[C@H]1CN(C(=O)C[C@@H]2CCN(C)C2=O)CCCO1 1200777903 MZZGYFKKMMQHTC-KBPBESRZSA-N 307.394 -0.305 30 20 DBED C#CCNC[C@@H]1CN(C(=O)[C@@H]2CCCCC(=O)N2)CCCO1 1201388818 HFHPZTKBXRFDRX-KGLIPLIRSA-N 307.394 -0.115 30 20 DBED C=CCO[C@H](C)C(=O)N1CCC(NCC(=O)NC(N)=O)CC1 1204029238 VCUKWXSXGGBSOP-SNVBAGLBSA-N 312.370 -0.647 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)CN2CCCC2=O)[C@H](C)C1 1205901433 HDQFZXQSRJARDW-CHWSQXEVSA-N 322.409 -0.653 30 20 DBED Cc1ncoc1C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1206759665 PFJIBEYKUNAGOU-MWLCHTKSSA-N 305.338 -0.327 30 20 DBED C#CCC1(C(=O)N2CCC[C@@H](NCC(=O)NC(N)=O)C2)CCC1 1208318522 BDZAOPZGLCZBRI-GFCCVEGCSA-N 320.393 -0.045 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)c2cnon2)C1 1210234981 DMVNFEPKQXRNLW-GHMZBOCLSA-N 307.354 -0.046 30 20 DBED CC#CCN[C@H]1CCCN(C(=O)CN(C)S(=O)(=O)CC)C1 1210408490 VNMMZSVEWUNKLU-ZDUSSCGKSA-N 315.439 -0.128 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)[C@]2(C)CNC(=O)C2)C[C@H]1C 1215202082 NRTDDGZAOGORFU-IOASZLSFSA-N 307.394 -0.401 30 20 DBED C[C@@H]1CN(C(=O)[C@H]2CCN(C)C2)C[C@H]1NCC(=O)NCC#N 1216754530 ZNYBZHSAFJUFPW-FRRDWIJNSA-N 307.398 -0.986 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(CCOCCOC)C[C@@H]1O 1219536162 MBZGQQGBJGJGLE-VNHYZAJKSA-N 316.398 -0.862 30 20 DBED CC(C)NC(=O)NCCN1C[C@H](O)[C@H](NC(=O)C#CC2CC2)C1 1219591742 SEKRVVSEUNMUCI-KGLIPLIRSA-N 322.409 -0.731 30 20 DBED C#CCC1(C(=O)N[C@@H]2CN(C[C@H](O)COC)C[C@@H]2O)CCC1 1219785023 AMXLALNIFXYUEP-MJBXVCDLSA-N 310.394 -0.651 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)c2coc(OC)n2)C1 1220078048 HPBZVNZEUJQSPQ-PWSUYJOCSA-N 309.322 -0.892 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@H](C)c2ccco2)C1 1220342435 BTMYIESRXFJXSD-UPJWGTAASA-N 319.361 -0.706 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)c2ccc(C(N)=O)[nH]2)C1 1220367384 WCDOVDQXTQUBBN-OLZOCXBDSA-N 322.365 -0.909 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)c2nc(C)c[nH]2)C1 1220514775 FDDHROUFQQZZRH-UTUOFQBUSA-N 321.381 -0.816 30 20 DBED COCC#CCN1CCC(CNC(=O)[C@H]2CCN(C)C2=O)CC1 1224144552 VZZWKVXCSXEQHN-OAHLLOKOSA-N 321.421 -0.057 30 20 DBED C=CCO[C@H](C)C(=O)NC1CCN(Cc2nc(=O)n(C)[nH]2)CC1 1230406844 DOBRJAQVXCXDPB-LLVKDONJSA-N 323.397 -0.220 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C[C@H]1CCN1Cc1nc(O)n[nH]1 1234267365 YBCYSPCDTRDNMQ-GHMZBOCLSA-N 307.354 -0.419 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@H]1CCCN1C(=O)c1csnn1 1277911212 WHHAASZIKYZMIC-WDEREUQCSA-N 321.406 -0.130 30 20 DBED N#CC1(NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)CCOCC1 1318948661 HRACEYOYXOYQJX-SNVBAGLBSA-N 303.322 -0.048 30 20 DBED C=CCS(=O)(=O)CCNC(=O)NCCCS(C)(=O)=O 1320282518 NZXNUXLWAMDPRS-UHFFFAOYSA-N 312.413 -0.679 30 20 DBED O=C1C=CC=N/C1=C(\O)NCCN1C(=O)N[C@@H](C2CC2)C1=O 1320763609 LXRHJWDBOFAISH-OQDIYGIBSA-N 304.306 -0.157 30 20 DBED C=CC[C@H](CC)NC(=O)C(=O)NCC(C)(C)NS(C)(=O)=O 1322671511 KVDKGMOMYVSOSS-JTQLQIEISA-N 319.427 -0.099 30 20 DBED CNC(=O)C1CN(C(=O)C(=O)Nc2cc(C)n(CCC#N)n2)C1 1324005176 TZLYJSFELDENAR-UHFFFAOYSA-N 318.337 -0.752 30 20 DBED C[C@@H](C#N)NC(=O)c1ccc2c(c1)S(=O)(=O)N=C1N=CNN12 1324623085 INWCJBHHKXVBDA-ZETCQYMHSA-N 318.318 -0.260 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2cncnc2)C1=O 1327030054 QMKAEKXPFANEIE-LLVKDONJSA-N 303.322 -0.340 30 20 DBED CCONC(=O)CNC(=O)C(=O)Nc1cc(C)n(CCC#N)n1 1327324930 QYHLKWAQJWHSEW-UHFFFAOYSA-N 322.325 -0.772 30 20 DBED CNC(=O)CCCN(C)C(=O)C(=O)N1CCN(CCC#N)CC1 1329841976 AWTXMTWIPGZKPR-UHFFFAOYSA-N 323.397 -0.971 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)NCC(=O)N(CC)CC 1332258100 GYRLRFLMBGIXJM-UHFFFAOYSA-N 311.382 -0.531 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 1332867236 LSXGHKYVFZWOTD-NWDGAFQWSA-N 321.377 -0.590 30 20 DBED Cc1cc(NC(=O)C(=O)N2CC[C@@H](C(N)=O)C2)n(CCC#N)n1 1334474212 DLHBLOBCBNJKOY-SNVBAGLBSA-N 318.337 -0.623 30 20 DBED C=CCC1(O)CCN(C(=O)C(=O)N2CC[C@H](NC(C)=O)C2)CC1 1336488582 WXRNYGWSGBARGC-ZDUSSCGKSA-N 323.393 -0.347 30 20 DBED C#CCSCCn1nnnc1N1CCN2C(=O)NC[C@@H]2C1 1337201992 MSGXXDTYZUFCHT-SNVBAGLBSA-N 307.383 -0.747 30 20 DBED C=C(C)Cn1c(CCO)nnc1N1CCO[C@@H](C(=O)NC)C1 1341877700 DMCJAPIWZNXXBA-LLVKDONJSA-N 309.370 -0.660 30 20 DBED COC(=O)C[C@H]1CCCN1C(=O)C(=O)N1CC[C@](O)(CC#N)C1 1345974700 YEYJGPNBDHQZQO-IAQYHMDHSA-N 323.349 -0.582 30 20 DBED CC(C)CNC(=O)C1CCN(C(=O)NCC(=O)NCC#N)CC1 1354122635 BNHRUBLJSVDCKZ-UHFFFAOYSA-N 323.397 -0.180 30 20 DBED C[C@H](O)C[C@@H](C)CNC(=O)CCn1cc(C#N)c(O)nc1=O 1362009289 AIVPFLCIUUMNED-ZJUUUORDSA-N 308.338 -0.266 30 20 DBED N#Cc1ncn(CC(=O)N2CCC(N3CCCC3=O)CC2)n1 1362124598 FXERTLDLXBPKQL-UHFFFAOYSA-N 302.338 -0.237 30 20 DBED COC1(CC(=O)NCCn2cc(C#N)c(O)nc2=O)CCC1 1363125810 CHLDXYJCGMYDOR-UHFFFAOYSA-N 306.322 -0.104 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)NC1CN(c2ccncn2)C1 1364079326 YYRUNYGNMIFLLY-JTQLQIEISA-N 310.383 -0.409 30 20 DBED CC[C@H](COC)NC(=O)NCCn1cc(C#N)c(O)nc1=O 1365110394 YEQYYJPHSWIZHI-SNVBAGLBSA-N 309.326 -0.455 30 20 DBED CCc1nc(CNS(=O)(=O)N2CCO[C@H](C#N)C2)co1 1365707342 WUHGIWGTZXVWHD-SNVBAGLBSA-N 300.340 -0.204 30 20 DBED CCN(CCC#N)C(=O)CN1CCC[C@@H]1CNC(=O)COC 1377389118 OMRLFOOHIBLGKP-CYBMUJFWSA-N 310.398 -0.024 30 20 DBED CC(C)CNC(=O)NC(=O)CNC1(CNC(=O)[C@H](C)C#N)CC1 1380070884 YCAUAJAFHFCUHM-LLVKDONJSA-N 323.397 -0.134 30 20 DBED C[C@H](CN(C)C(=O)c1cc(C#N)c[nH]1)NC(=O)Cn1cncn1 1395554920 PALIOBNXSHUTHZ-SNVBAGLBSA-N 315.337 -0.245 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)c2cc(=O)n(C)cn2)C1 1397206757 DHKRPVOYDGPNQG-GUBZILKMSA-N 303.322 -0.683 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1C[C@H](NCC(=O)NC[C@H]2CCCO2)C1 1417781780 NQNPGAQBSXZSJJ-AAVRWANBSA-N 322.409 -0.074 30 20 DBED N#Cc1cn(CC(=O)NCC2SCCS2)c(=O)nc1O 1418581359 ZMYFSMYQPXWOOJ-UHFFFAOYSA-N 312.376 -0.257 30 20 DBED N#C[C@@H]1CCCN(C(=O)c2cn(C[C@@H]3CNC(=O)O3)nn2)C1 1419382149 XXLGJHYPDVOTEN-UWVGGRQHSA-N 304.310 -0.238 30 20 DBED C[C@H](C#N)C(=O)NCC1CN(CC(=O)NCC(F)(F)F)C1 1421134042 WQFWIFVZIVZFEX-MRVPVSSYSA-N 306.288 -0.127 30 20 DBED C=C(Cl)CN1CCO[C@H](CNC(=O)CCNC(N)=O)C1 1421802980 FPXUVZUIINBULZ-SNVBAGLBSA-N 304.778 -0.386 30 20 DBED C[C@@H]1CCNC(=O)[C@H]1NCc1cc(O)n2ncc(C#N)c2n1 1434465201 APZRQXRIFCCOMU-PELKAZGASA-N 300.322 -0.079 30 20 DBED N#CCCN1CCN(C(=O)NC[C@H]2CC[C@H](C(N)=O)O2)CC1 1434782579 LFZMJMNETKACQG-VXGBXAGGSA-N 309.370 -0.740 30 20 DBED CC(C)Cn1ncnc1CNC[C@@H](O)CNC(=O)[C@@H](C)C#N 1438986942 UCVSNKQPXRVCDZ-NWDGAFQWSA-N 308.386 -0.340 30 20 DBED CN(C)C(=O)Cn1cnc(NC(=O)N2CCO[C@H](C#N)C2)n1 1476153720 DIGDDUDRBYCBGB-SECBINFHSA-N 307.314 -0.877 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@@H](NC(=O)c2cn(C)nc2C)C1 1490531443 YSLUJHAIDACYSP-QWHCGFSZSA-N 317.393 -0.329 30 20 DBED Cc1occc(=O)c1OCC(=O)N1CC(NC(=O)[C@@H](C)C#N)C1 1498383438 CDQZVTZHXDXYTI-VIFPVBQESA-N 319.317 -0.186 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H](C)CCNC(=O)c1cnc(C)n1C 1503445961 SWNIIDFVAUPAAF-RYUDHWBXSA-N 319.409 -0.036 30 20 DBED C=CCn1c(N2CCO[C@@H](COC)C2)nnc1[C@]1(O)CCOC1 1520626841 DOOIVDNJPNSTJL-DOMZBBRYSA-N 324.381 -0.076 30 20 DBED C[C@H]1CN(c2c(C#N)c(=O)n(C)c(=O)n2C)C[C@]1(C)C(=O)O 1571091802 JWTMGRZYEGKVDT-RTHLEPHNSA-N 306.322 -0.497 30 20 DBED C=CC(C)(C)C(=O)N(CCO)CCNC(=O)[C@H]1C[C@H]1C(=O)O 1573345347 QAGOYXNGZJWPRX-WDEREUQCSA-N 312.366 -0.144 30 20 DBED C#C[C@H](NC(=O)C[C@H]1CNCCS1(=O)=O)C1CCOCC1 1574505557 TYTJSFBGEUWMBF-STQMWFEESA-N 314.407 -0.692 30 20 DBED N#C[C@@H]1CNCC12CC(C(=O)N1CCN3C[C@H](O)C[C@H]3C1)C2 1580042662 YFCGROLUXJYGAX-NHGZVPIDSA-N 304.394 -0.597 30 20 DBED C#CCC[C@@H](O)CNC(=O)c1nc(O)c(-c2nn[nH]n2)cc1C 1588337382 OJAZKBKIYXHYOX-SECBINFHSA-N 316.321 -0.220 30 20 DBED C#C[C@@H](CO)NS(=O)(=O)c1ccc(CC(=O)O)c(F)c1 1588370778 NBHNZAXQTDFWMS-VIFPVBQESA-N 301.295 -0.275 30 20 DBED C#CC[C@@H](NS(=O)(=O)c1cc(C(=O)OC)n(C)c1)C(=O)O 1588423378 DTXBHVJDKHDPNW-SECBINFHSA-N 314.319 -0.434 30 20 DBED C=CCCn1cc(C(=O)N[C@@H](Cn2ccnc2)C(=O)O)nn1 1588817347 IKGBWHMBUIYVPS-NSHDSACASA-N 304.310 -0.066 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N1C[C@@H](C(=O)O)O[C@H](C)C1 1589330894 UISZLHGBAGBSNV-AEJSXWLSSA-N 305.356 -0.503 30 20 DBED N#Cc1ccc(S(=O)(=O)N2CC(C(N)=O)C2)c(C(=O)O)c1 1601111166 UMAYPJSRALIWHB-UHFFFAOYSA-N 309.303 -0.638 30 20 DBED CO[C@@]1(C(=O)O)CCN(C(=O)C(=O)N2CCC(C#N)CC2)C1 1606690751 CSJADMKUUGWSKU-AWEZNQCLSA-N 309.322 -0.549 30 20 DBED N#Cc1ccc(S(=O)(=O)N2CCC([C@@H](O)C(=O)O)CC2)o1 1608209482 GZPADEPEPCFAMT-LLVKDONJSA-N 314.319 -0.003 30 20 DBED O=C(CCN/C(O)=C1\N=CC=CC1=O)NCC1(C(=O)O)CC1 1610657370 VEJGRLRINKTZPK-VAWYXSNFSA-N 307.306 -0.116 30 20 DBED N#CCCN(CCN1CCOCC1)Cc1nnc2n1CCOC2 1645754817 KLDJLDBESHMAGO-UHFFFAOYSA-N 320.397 -0.144 30 20 DBED C#CCCCC(=O)N1CC[C@H](NC[C@H](O)CN2CCCC2=O)C1 1690664153 WFJFJTVYLKHODI-GJZGRUSLSA-N 321.421 -0.036 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)CC[C@@H]2CCCO2)C1 1713816582 IBBJUBRJNZILOB-KBPBESRZSA-N 307.394 -0.115 30 20 DBED C#CCCN1CCN(CCCNC(=O)[C@@H]2CCC(=O)N2)CC1 1752355206 NVKWFPVKIQKVFD-AWEZNQCLSA-N 306.410 -0.588 30 20 DBED CCN1CCO[C@@H](C(=O)NC[C@H](NCC#CCOC)C2CC2)C1 1752498867 FTVQTXLLSLAORL-JKSUJKDBSA-N 323.437 -0.159 30 20 DBED C#CCNC(=O)CN[C@H](C)CNC(=O)[C@H]1CCn2cncc2C1 1752881417 AKEMHCWHSKWREK-OLZOCXBDSA-N 317.393 -0.711 30 20 DBED C=CCNC(=O)[C@H](C)N(C)CCN(C)C(=O)[C@@H]1COCCO1 1753847387 XVHOKLCVAWUDFT-STQMWFEESA-N 313.398 -0.517 30 20 DBED C#Cc1ccc(C(=O)N(C)CCN(C)CC(=O)NC(N)=O)cn1 1753867551 WOPIYNUGFVOTQZ-UHFFFAOYSA-N 317.349 -0.738 30 20 DBED CN(CC#N)CCN(C)C(=O)Cn1nc2n(c1=O)CCCC2 1753874379 BIYRGRKEAPWRKN-UHFFFAOYSA-N 306.370 -0.705 30 20 DBED C#CCNC(=O)CNCC[C@@H](C)NC(=O)C[C@H]1CCCC(=O)N1 1753980311 FIAUCBORDYBKGE-CHWSQXEVSA-N 322.409 -0.721 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@H](C)NC(=O)c1cncnc1C 1754259805 BPBXBYZIOGGZRK-JQWIXIFHSA-N 303.366 -0.369 30 20 DBED C=CCN1CC[C@@H](NC[C@H](C)NC(=O)C2(C(N)=O)CC2)C1=O 1754281878 WQOHEDFNZRUHIP-WDEREUQCSA-N 308.382 -0.867 30 20 DBED C=CCNC(=O)CN1C[C@H]2C[C@H]1[C@H]2NC(=O)CCc1cn[nH]c1 1754429862 YJFUFQPRKWAASS-WWGRRREGSA-N 317.393 -0.167 30 20 DBED C=CCNC(=O)CNC1(CNC(=O)[C@H]2CN3CCC2CC3)CC1 1754515655 WXCPTCMXRFLKSL-AWEZNQCLSA-N 320.437 -0.131 30 20 DBED C=CCOCC(=O)NC[C@]1(O)CCN(Cc2cn(C)nc2C)C1 1754745754 HNHMNMDAESASLZ-MRXNPFEDSA-N 322.409 -0.016 30 20 DBED C=CCC[C@@H](C)N1CC(O)(CNC(=O)[C@@H]2CC(=O)N(C)C2)C1 1754768201 FHIGKASXZZDQBR-CHWSQXEVSA-N 309.410 -0.018 30 20 DBED C#CCN1CCC[C@H](NC(=O)[C@H](C)NS(=O)(=O)CC)CC1 1755024655 FRXYZSDEFRCBEL-STQMWFEESA-N 315.439 -0.082 30 20 DBED N#CCNC(=O)CN1CCC[C@@H](NC(=O)Cn2ccnc2)CC1 1755033906 HOJJYCMLASZFEN-CYBMUJFWSA-N 318.381 -0.506 30 20 DBED C#CCNC(=O)CN[C@H]1CN(C(=O)Cc2cccnc2)C[C@@H]1C 1755107864 VKPLBDYTVVGCRB-ZFWWWQNUSA-N 314.389 -0.190 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC(CO)(NC(=O)C2CC2)CC1 1755176035 QVTPGKBQAACPLI-LBPRGKRZSA-N 307.394 -0.523 30 20 DBED CC1(C)CN(CC(=O)NCC#N)C[C@H]1NC(=O)c1cocn1 1755407691 QKGPXTCJXYQBBL-LLVKDONJSA-N 305.338 -0.245 30 20 DBED CNS(=O)(=O)CCC(=O)N[C@@]12CCC[C@@H]1N(CC#N)CC2 1755703135 VAZSDESMTOZNHV-WCQYABFASA-N 314.411 -0.438 30 20 DBED COCC#CCN(C)C[C@H](O)CN(C)C(=O)c1cc[n+]([O-])cc1 1755798649 YITBPUDPKAVAKV-HNNXBMFYSA-N 321.377 -0.666 30 20 DBED C=CCN(C)C[C@@H](O)CN(C)C(=O)c1c(C)c(C)nn(C)c1=O 1755804449 NDSYDLAMGUSBGH-CYBMUJFWSA-N 322.409 -0.052 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@H](O)CN(C)C(=O)c1ccon1 1756653943 OBYDXPRFXVQHSA-HZMBPMFUSA-N 311.338 -0.449 30 20 DBED O=C(O)c1ccc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](O4)[C@@H]3C2=O)[nH]1 1776101971 CYJQCWPATUJEMQ-ZNSHCXBVSA-N 301.258 -0.015 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(O)nc1)CCO2 1783055219 UTIXOLHKNFPPDT-MRXNPFEDSA-N 315.329 -0.136 30 20 DBED N#CCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCCO3)C2)C1 1783480164 BLZFFCFFYMAYEL-SWLSCSKDSA-N 307.350 -0.091 30 20 DBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)CC(C)(C)O)C2)C1 1839806947 NRUDORAWIZPHDS-MRXNPFEDSA-N 324.377 -0.763 30 20 DBED C=CCC(=O)N1CC2(CCCN2C(=O)C[C@@H]2NC(=O)NC2=O)C1 1841962995 SGWTWSBHJLCXHQ-JTQLQIEISA-N 320.349 -0.636 30 20 DBED Cn1c(NCCNC(=O)OC(C)(C)C)c(C#N)c(=O)n(C)c1=O 65200850 JSEUUJRSMPZBRL-UHFFFAOYSA-N 323.353 -0.108 30 20 DBED C#CCCCNC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C 172931123 OVEAVACWVIXQIJ-UHFFFAOYSA-N 300.318 -0.225 30 20 DBED N#C[C@@H]1COCCN1CC(=O)N1CCN(c2cnccn2)CC1 177120345 OEWXGLKDHXYCEO-CYBMUJFWSA-N 316.365 -0.650 30 20 DBED C[C@@H](NS(=O)(=O)c1cccs1)C(=O)NCC#CCO 282860798 HMSNLEKADATESB-SECBINFHSA-N 302.377 -0.473 30 20 DBED C[C@@H](C(=O)N(C)CCC#N)N1CCC[C@@](O)(Cn2ccnn2)C1 284527259 JPWPLRWNBJKYKI-ZFWWWQNUSA-N 320.397 -0.134 30 20 DBED CC(=O)N1CC(/C(O)=N/C/C(O)=N/CCN2CCOCC2)C1 328632306 AEYGFMZGQILPFL-UHFFFAOYSA-N 312.370 -0.290 30 20 DBED CS(=O)(=O)N1CCC[C@@H](/N=C(/O)N2CCN=C(O)CC2)C1 329123440 RSWCPCNDPKIFQM-SNVBAGLBSA-N 318.399 -0.013 30 20 DBED CS(=O)(=O)N1CCN(CC(O)=Nc2cnns2)CC1 330276902 NOMCRSNGIUPVMA-UHFFFAOYSA-N 305.385 -0.297 30 20 DBED CN(CC(=O)N/C(O)=N/CC(F)(F)F)[C@]1(CO)CCOC1 330824405 VPAXPRDYJGNFOH-JTQLQIEISA-N 313.276 -0.338 30 20 DBED CC[C@H](N/C(O)=N/[C@@H]1CC(=O)N(C)C1)C(=O)N1CCOCC1 331020873 OXCWKGXOUJMHKL-MNOVXSKESA-N 312.370 -0.642 30 20 DBED Cn1cc(S(=O)(=O)NCC(=O)NC2(C#N)CCCC2)cn1 332348828 RDDQXZSGLOIJLR-UHFFFAOYSA-N 311.367 -0.349 30 20 DBED CC(C)N1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)CC1=O 336889164 IIIMCZCGUAQBPO-LLVKDONJSA-N 316.383 -0.992 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N[C@@H](CO)c2ccccc2)CCO1 336949050 REZSQGMHBAXLSL-OLZOCXBDSA-N 311.363 -0.221 30 20 DBED COCCN(CCC#N)S(=O)(=O)NC[C@@H]1CC[C@H](O)C1 337130265 BVYPLXDWUICNTC-NEPJUHHUSA-N 305.400 -0.156 30 20 DBED Cn1cc(C#N)c(=O)n(CC(=O)NC(C2CC2)C2CC2)c1=O 346904435 LTSGEBSOKYFUCM-UHFFFAOYSA-N 302.334 -0.277 30 20 DBED C=CCNC(=O)CNC(=O)C(=O)Nc1cccc(C(=O)OC)c1 347233020 OLURVQRHVRBHJQ-UHFFFAOYSA-N 319.317 -0.170 30 20 DBED Cn1ncc(C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)c1C#N 353536665 QEXWKCDHLRPERW-ZDUSSCGKSA-N 317.349 -0.245 30 20 DBED C=CCNC(=O)c1ccc(NCCNC(=O)c2cc[nH]n2)nc1 355571998 YPIJVUYHWIVMBR-UHFFFAOYSA-N 314.349 0.562 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCC[C@@]2(C)CO)C1=O 427010301 XVCJRKBQMFMVNL-BONVTDFDSA-N 323.349 -0.370 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@](C)(O)C2CC2)C1=O 440205098 XNOYZDAYRDLJIF-CQSZACIVSA-N 309.322 -0.760 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@H]2C[C@]23CCNC3)CC1 444166122 JOUUVWWSTAJQQD-CJNGLKHVSA-N 306.410 -0.568 30 20 DBED N#Cc1ccc(NCC(=O)N[C@H]2CCCN(CCCO)C2)nc1 452794803 HTGOKRUJROGOHY-AWEZNQCLSA-N 317.393 0.328 30 20 DBED C#CCN(CC#CC)C(=O)CNS(=O)(=O)c1cnn(C)c1 490674824 CYBBVILQHKIWAH-UHFFFAOYSA-N 308.363 -0.817 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)c2cn(C)cn2)CC1 490839661 JBMDRFSIYUDBER-UHFFFAOYSA-N 303.366 -0.683 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2c(C)noc2C)CC1 491739977 JGAOBNSSBLAVOK-UHFFFAOYSA-N 304.350 -0.201 30 20 DBED CN(CCC#N)S(=O)(=O)NCc1cc(=O)n2ccccc2n1 516301723 PMBGDCFAHXAKOE-UHFFFAOYSA-N 321.362 -0.126 30 20 DBED CNS(=O)(=O)[C@@H]1CCN(S(=O)(=O)CC2(C#N)CC2)C1 545918189 DTTXNIVQYFALSR-SECBINFHSA-N 307.397 -0.757 30 20 DBED C[C@@H]1CN(C(=O)NCCn2cnc(C#N)n2)C[C@]2(CCOC2)O1 553968644 DJUGAVVSXOIUGY-RISCZKNCSA-N 320.353 -0.261 30 20 DBED C[C@H](CCC#N)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 578631820 CDCGTDSDKCQMHL-LLVKDONJSA-N 306.370 -0.359 30 20 DBED CC[C@@H](NC(=O)N1CC[C@](O)(CC#N)C1)C(=O)N1CCOCC1 591974178 JJJMOQLADMYQHR-IUODEOHRSA-N 324.381 -0.316 30 20 DBED COC(=O)[C@@H]1C[C@@H](O)CN(CC(=O)N(CCC#N)CCC#N)C1 592198187 HKAJNAMAWAPQJE-CHWSQXEVSA-N 322.365 -0.502 30 20 DBED Cc1cc(N[C@H]2CNC(=O)C2)c(C#N)c(N[C@@H]2CNC(=O)C2)n1 596185651 ZHEJAPBENNJVQW-ZJUUUORDSA-N 314.349 -0.138 30 20 DBED CCN(CC)C[C@@H](C)NC(=O)C(=O)N1CCN(CCC#N)CC1 602237928 FRLUYKWYMMAHRH-CQSZACIVSA-N 323.441 -0.109 30 20 DBED N#CCCN(CCN1CCOCC1)S(=O)(=O)[C@H]1CCOC1 609824188 KWIHKDOIOJKBNA-ZDUSSCGKSA-N 317.411 -0.347 30 20 DBED CCOC[C@H](C(=O)OC)N(C)S(=O)(=O)N(C)C[C@H](C)C#N 619712348 HAOUMIYMTHGLBF-GHMZBOCLSA-N 321.399 -0.167 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)CN(C)C(=O)C2CC2)CC1 642628281 FQFKNEHLNYTVAE-UHFFFAOYSA-N 322.409 -0.699 30 20 DBED C=C[C@H](CO)N[C@H](C)C(=O)N(CCC)[C@H]1CCS(=O)(=O)C1 662166048 YWXCVRGPWBDUNA-UPJWGTAASA-N 318.439 -0.063 30 20 DBED C=C[C@@H](O)C(=O)N1CCN(CC(=O)Nc2nncs2)CC1 668604705 ZZBULXAJRDIDKO-SECBINFHSA-N 311.367 -0.832 30 20 DBED C#CCNS(=O)(=O)N1CCN(Cc2cscn2)CC1 761024463 OCHSHAXXEDLWPX-UHFFFAOYSA-N 300.409 -0.272 30 20 DBED Cc1nn(C)c(N2CCOCC2)c1C=NNC1=NC[C@H](C)N1 779793265 ZGHKXYLRZRQQGJ-JTQLQIEISA-N 305.386 -0.164 30 20 DBED C[C@@H](OC(=O)CN1CCCNC1=O)C(=O)NC1(C#N)CCC1 787641415 OYDJHHANCONDIL-SNVBAGLBSA-N 308.338 -0.104 30 20 DBED CC#CC(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 801185440 TXLLCSXEQMGJBI-LBPRGKRZSA-N 300.380 -0.337 30 20 DBED N#Cc1ncn(CCNC(=O)Nc2ccc(-n3nccn3)nc2)n1 806212492 QROKXVNJAVKYDZ-UHFFFAOYSA-N 324.308 -0.053 30 20 DBED C#C[C@H](NC(=O)C(=O)NCCc1ccnn1C)[C@@H]1CCCO1 808018698 ODHJJXXUUSVXAQ-STQMWFEESA-N 304.350 -0.624 30 20 DBED C#C[C@H](NC(=O)C(=O)NCC1([S@](C)=O)CC1)[C@@H]1CCCO1 809313765 XLGRKEJGNOTHOX-HJTOQOCKSA-N 312.391 -0.689 30 20 DBED C=C[C@H](O)C(=O)OCC(=O)N(CC)[C@@H]1CCS(=O)(=O)C1 814548386 TUZORXQSZKYYOZ-ZJUUUORDSA-N 305.352 -0.888 30 20 DBED CC(C)C#CC(=O)N(C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 821968762 KHCZTUFJCONMFV-LLVKDONJSA-N 300.380 -0.593 30 20 DBED C#CCN1CCN(C(=O)[C@@H](C)n2cnc3c(N)ncnc32)CC1 827527096 RZTASXKEHYCXFT-LLVKDONJSA-N 313.365 -0.253 30 20 DBED C#CCO[C@H](C)C(=O)OCC(=O)NC(=O)NCC(F)(F)F 837852212 OMSAJJOKCFBXRJ-SSDOTTSWSA-N 310.228 -0.044 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N1C[C@H](O)C[C@@H]1C(=O)O 844793193 KNKRJMRHRMIRBD-IVZWLZJFSA-N 305.356 -0.767 30 20 DBED C#CCSCCNC(=O)C(=O)NC[C@@H](C(=O)O)C(C)C 848611960 UNMYVHHQARIUQJ-SNVBAGLBSA-N 300.380 -0.058 30 20 DBED Cc1c(C#N)c(=O)n(CCN2CCOCC2)c(=O)n1C1CC1 865375490 WTBVRQVXLPPQOL-UHFFFAOYSA-N 304.350 -0.143 30 20 DBED N#Cc1ccc(N2CCN(C(=O)C[C@H]3COCCN3)CC2)cn1 877296725 JGHCSTSWTVYGHU-AWEZNQCLSA-N 315.377 -0.020 30 20 DBED C#CC1(O)CN(S(=O)(=O)c2ccc3c(c2)CN(C(C)=O)C3)C1 908229720 KKXSULCKOQRSMW-UHFFFAOYSA-N 320.370 -0.083 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@@H]1CC(=O)N(CC)C1 914799548 CJIYASSOTVTYAV-VHSXEESVSA-N 311.338 -0.202 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H](NC(=O)[C@H]3CCOC3)C2)nn1 937732913 HCCHGQLEVSUYGM-RYUDHWBXSA-N 319.365 -0.169 30 20 DBED CO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1NC(=O)c1n[nH]cc1C 941731774 NPZDYFXUUYCCFY-FBIMIBRVSA-N 305.338 -0.167 30 20 DBED C[C@@H](C#N)C(=O)N1CCCN(C(=O)c2cn(C)c(O)n2)CC1 942153113 QEMVLGDEIWDUGZ-JTQLQIEISA-N 305.338 -0.040 30 20 DBED C[C@@H]1CN(C(=O)C(N)=O)CC[C@@H]1NC(=O)c1cc(C#N)c[nH]1 945485480 STLAUKLJSQIXCZ-SCZZXKLOSA-N 303.322 -0.662 30 20 DBED O=C1NCC[C@@H]1C(=O)NC1CCN(C(=O)C#CC2CC2)CC1 946687239 UJWHCCLJBQRUFM-ZDUSSCGKSA-N 303.362 -0.357 30 20 DBED C#CCN1CCC[C@H](N(C)C(=O)Cn2cnc(C(N)=O)n2)CC1 948380964 AGOVKENDDWGJGZ-LBPRGKRZSA-N 318.381 -0.677 30 20 DBED CN(C(=O)[C@@H]1COC(=O)N1)C1CCN(C(=O)C#CC2CC2)CC1 953906274 XOJBRHSVJVTHDH-ZDUSSCGKSA-N 319.361 -0.042 30 20 DBED C[C@H](C#N)C(=O)N1CC(N(C)C(=O)C(C)(C)N2CCOCC2)C1 954780717 NSLSLDJGKBXKOE-GFCCVEGCSA-N 322.409 -0.074 30 20 DBED C[C@H](C#N)C(=O)N1CC(N(C)C(=O)c2cn(C)c(=O)cn2)C1 954979328 JZBGXFWMMOFVNT-SECBINFHSA-N 303.322 -0.777 30 20 DBED C[C@@H]1C[C@H](NC(=O)C(N)=O)CCN1C(=O)c1ccc(C#N)[nH]1 955632337 YZEAEDPYGVRERJ-RKDXNWHRSA-N 303.322 -0.519 30 20 DBED Cn1ncc(C(=O)NC[C@@H]2CCCN2C(=O)C#CC2CC2)n1 956004500 GBPGHRBCFTYCQI-LBPRGKRZSA-N 301.350 -0.051 30 20 DBED C=C(C)CN1C[C@H](CNC(=O)c2ccc(=O)n(C)c2)[C@@H](O)C1 958202633 JFAUCTFABCQOBX-KBPBESRZSA-N 305.378 -0.016 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](CNC(=O)c2coc(C(N)=O)c2)C1 958277095 NDGFQIQOBQNCNU-NEPJUHHUSA-N 307.350 -0.023 30 20 DBED Cc1nc2n(n1)C[C@@H](C(=O)N[C@H]1[C@@H]3CN(CC#N)C[C@@H]31)CC2 961316993 CDHDUNIVZJDYOG-CIQGVGRVSA-N 300.366 -0.281 30 20 DBED CC#CCN1C[C@H]2C(NC(=O)[C@H]3CCc4nnn(C)c4C3)[C@@H]2C1 961604591 CIBCPBFZLWOYNR-YNEHKIRRSA-N 313.405 -0.010 30 20 DBED C=C(Cl)CN1C[C@H]2[C@H](NC(=O)C3CC(=O)NC(=O)C3)[C@H]2C1 962037312 CZNQAVCGZZHJPE-IWIIMEHWSA-N 311.769 -0.162 30 20 DBED Cc1cc(C(=O)N2CC3(C2)CN(C(=O)[C@H](C)C#N)CCO3)n[nH]1 965475962 ZOYMBYKUVHQACP-SNVBAGLBSA-N 317.349 -0.069 30 20 DBED CCN(C(=O)[C@@H]1CCN(C)C1=O)C1CN(C(=O)C#CC2CC2)C1 968260535 IJQDODUTFAEDMQ-CQSZACIVSA-N 317.389 -0.063 30 20 DBED CC#CCN1CC([C@@H](C)NC(=O)c2cn(CCOC)nn2)C1 969658483 XIXSRMOHTRQUPW-GFCCVEGCSA-N 305.382 -0.002 30 20 DBED C=C[C@](C)(CC)C(=O)N1C[C@H](O)[C@H](NC(=O)c2nnn(C)n2)C1 969789648 PEEHMWLXXWFZFU-ISTVAULSSA-N 322.369 -0.886 30 20 DBED C#CCCN1CCO[C@@]2(CCN(C(=O)[C@H]3COCCO3)C2)C1 972275414 NSLCDZROEFNAGU-ZBFHGGJFSA-N 308.378 -0.272 30 20 DBED CN1CC[C@H](CC(=O)N2CC[C@@]3(CN(CC#N)CCO3)C2)C1=O 972423356 CNIQAJBPSUTSEV-CZUORRHYSA-N 320.393 -0.318 30 20 DBED CN1CC[C@H](C(=O)NC[C@H]2CCN(C(=O)C#CC3CC3)C2)C1=O 982739460 MOKVIEGQRZTTQE-ZIAGYGMSSA-N 317.389 -0.157 30 20 DBED C[C@H]1[C@@H](NCc2nnnn2C)CCN1C(=O)c1cc(C#N)c[nH]1 986133570 NIPAYKOLRPRLFD-ONGXEEELSA-N 314.353 -0.197 30 20 DBED C=C(C)CN[C@H]1C[C@H](C)N(C(=O)c2cn(C)c(=O)n(C)c2=O)C1 989510493 HCPUOTDUENASQZ-RYUDHWBXSA-N 320.393 -0.147 30 20 DBED C=CC(C)(C)C(=O)N1CC(NC(=O)[C@H]2CN(C(C)=O)CCO2)C1 997733883 PZBMATSOWDHSPO-CYBMUJFWSA-N 323.393 -0.227 30 20 DBED C=CCN1CC[C@H](N2CC[C@H](NC(=O)c3cn(C)nn3)C2)C1=O 1010863287 UESRMRDZRAGWEZ-AAEUAGOBSA-N 318.381 -0.594 30 20 DBED CN1C(=O)CC[C@H]1C(=O)N1CCN(C(=O)C#CC2CC2)CC1 1011107730 NAAZJTCDWJJVIF-ZDUSSCGKSA-N 303.362 -0.309 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C(=O)[C@H](C)CN2CCOCC2)CC1 1011163761 BXRNQUUYARUKMQ-UONOGXRCSA-N 322.409 -0.215 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2C[C@@H](C)N(C(=O)CC(N)=O)C2)nc1 1012407438 HELDGSQUYQUHFE-PWSUYJOCSA-N 314.345 -0.343 30 20 DBED C[C@]1(C(=O)NC2[C@H]3CN(C(=O)C#CC4CC4)C[C@H]23)CNC(=O)C1 1013437732 YSDCJHNYWAPCHP-NVGCLXPQSA-N 315.373 -0.501 30 20 DBED C=C(Cl)CN1CC[C@@H](NC(=O)CN2CCC(=O)NC2=O)C1 1015949493 SKRIKCQQVXFCBF-SNVBAGLBSA-N 314.773 -0.129 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CN(C(=O)c3ncc[nH]3)C[C@H]2O)c[nH]1 1023465809 HNKDXEGNVYFCMC-GHMZBOCLSA-N 314.305 -0.775 30 20 DBED COc1nc(C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2O)co1 1024820747 RBLWQZJSBBJOHA-ZYHUDNBSSA-N 319.317 -0.602 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1[C@@H]2CN([C@@H]3CCN(C)C3=O)C[C@@H]21 1026054666 LLMUTIIIFSEGJB-JEWKUQAESA-N 319.405 -0.145 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2CCCN2[C@@H](C)C(=O)NC)nn1 1028187111 CHMJYRQTHILASY-RYUDHWBXSA-N 320.397 -0.207 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2CCN([C@H](C)C(N)=O)C2)nn1 1028850901 ANWCWMBUZSIODQ-MNOVXSKESA-N 306.370 -0.610 30 20 DBED C=CCN1CC[C@H](N2CC(CNC(=O)[C@@H]3CCC(=O)N3)C2)C1=O 1032137946 ZVNFCVOQXIYJQK-STQMWFEESA-N 320.393 -0.900 30 20 DBED C=C(Cl)CN1CC[C@H](N(C)C(=O)CN2C(=O)CNC2=O)C1 1033645543 VZRBAHHXKVEBOT-JTQLQIEISA-N 314.773 -0.177 30 20 DBED CC#CCN1CCCC[C@H](NC(=O)CN2C(=O)CNC2=O)C1 1034518919 ZGYNAGVQGZYWNG-LBPRGKRZSA-N 306.366 -0.468 30 20 DBED C#CCN1CCO[C@H](CNC(=O)c2ccnc3c2CC(=O)N3)C1 1035432839 AGWVNXIJTXESRC-LLVKDONJSA-N 314.345 -0.360 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)[C@H]2CCc3nnnn3CC2)C1 1035512043 FRKWJXXEBGNAGA-STQMWFEESA-N 318.381 -0.924 30 20 DBED C#CCCN1CC[C@H]2CN(C(=O)Cn3cnnc3O)CC[C@@H]21 1036693518 XVRBCNDRYXLKBM-STQMWFEESA-N 303.366 -0.070 30 20 DBED CCN(CC)CC(=O)NC[C@]1(O)CCN(C(=O)[C@@H](C)C#N)C1 1039784263 CJSRBYUMZRZILZ-SWLSCSKDSA-N 310.398 -0.433 30 20 DBED C=CCCOCC(=O)N1CC[C@](O)(CNC(=O)c2cnco2)C1 1040383074 JTHXAAHAUVRCJO-HNNXBMFYSA-N 323.349 -0.040 30 20 DBED CC(C)C#CC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1040616094 QAJAMGMZTCLPKM-RPCCPQHDSA-N 320.389 -0.382 30 20 DBED N#Cc1cccnc1N1C[C@@H](O)[C@H](NC(=O)Cc2cnc[nH]2)C1 1041369863 QTFFQRPZYGBZNE-CHWSQXEVSA-N 312.333 -0.415 30 20 DBED C=C(C)CN1CC[C@H]2CCN(C(=O)CN3CCNC(=O)C3)C[C@@H]21 1042182201 DCQUTGFMSFFZHB-GJZGRUSLSA-N 320.437 -0.083 30 20 DBED COCC1(CC(=O)N2CC(O)(CNC(=O)C#CC3CC3)C2)CC1 1042958988 RKEHBPYCKSTHCH-UHFFFAOYSA-N 320.389 -0.094 30 20 DBED O=C(C#CC1CC1)NCC1(O)CN(C(=O)c2cnns2)C1 1042959345 WZGPHQOZGRXNFF-UHFFFAOYSA-N 306.347 -0.745 30 20 DBED C[C@@H]1C[C@@H](C(=O)N2CC(O)(CNC(=O)C#CC3CC3)C2)CO1 1042963487 NXAKHLPJBJVDGO-DGCLKSJQSA-N 306.362 -0.486 30 20 DBED C=CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)[C@@]23COC[C@@H]2C3)C1 1043370362 GEJOSLIQQMZUDJ-WQGACYEGSA-N 324.377 -0.697 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)CCc2cscn2)C1 1043693727 DJOSJGIKZJDFLM-JTQLQIEISA-N 322.390 -0.075 30 20 DBED Cc1cc(C(=O)N[C@@H]2CN(c3ccc(C#N)nn3)C[C@@H]2O)on1 1043855353 RGFVNHXVNVOXMT-MNOVXSKESA-N 314.305 -0.376 30 20 DBED C=C(C)CN1CC(N(C)C(=O)c2cn(CC(=O)N(C)C)nn2)C1 1044335067 ACBAGYOBZFUGRD-UHFFFAOYSA-N 320.397 -0.301 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1045010162 NBNJYUJNWZNIOV-IMRBUKKESA-N 306.362 -0.772 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@@H]3C[C@@H]3C2)C1 1045086300 PMFAARWYAZINAB-WDNDVIMCSA-N 320.389 -0.238 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)Cc2cnoc2)C1 1045107008 MFFUXTTUKMGSOD-UHFFFAOYSA-N 309.322 -0.891 30 20 DBED C=CCCCC(=O)NCC1(O)CN(C(=O)[C@H]2CCC(=O)NC2)C1 1045470030 NMVDEWOYVMXHAE-LBPRGKRZSA-N 323.393 -0.442 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)c2cn(C)c(O)n2)C1 1045734686 HTKPENUSUQKKJO-UHFFFAOYSA-N 322.365 -0.359 30 20 DBED C=CCN1[C@H]2CC[C@H]1CN(C(=O)CN1C(=O)CNC1=O)CC2 1045887465 FGOGCUOKVNVHAZ-RYUDHWBXSA-N 306.366 -0.211 30 20 DBED C=CCN1CC[C@H](N2CCN(C(=O)c3nnn(C)n3)CC2)C1 1046054658 LWIISSMSXBGDJT-LBPRGKRZSA-N 305.386 -0.772 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3nccn3C2)C1 1047434997 FABONEKCVHUKCY-ILXRZTDVSA-N 316.405 -0.028 30 20 DBED C=CCCN1C[C@H](O)[C@@H](N(C)C(=O)C2CC(=O)NC(=O)C2)C1 1047563390 GYRVNMOQLCQMTI-RYUDHWBXSA-N 309.366 -0.881 30 20 DBED C=CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCS2(=O)=O)C1 1047633842 ODWGRBWGIGHIME-RWMBFGLXSA-N 316.423 -0.357 30 20 DBED Cn1cnn(CCC(=O)N2CCC[C@H]3[C@@H]2CCN3CC#N)c1=O 1049613031 ORVNLXKNJZGDEN-STQMWFEESA-N 318.381 -0.439 30 20 DBED C=CCOCC(=O)N1CC[C@@H]([C@@H](C)NC(=O)Cn2cncn2)C1 1050313543 OJNYVEHEJYOYCQ-CHWSQXEVSA-N 321.381 -0.166 30 20 DBED C#CCN1CCN([C@@H]2CCN(C(=O)c3cn(C)cn3)C2)CC1 1052012181 FXDJQHVHLYYKPS-CQSZACIVSA-N 301.394 -0.115 30 20 DBED N#CCN1CCN([C@H]2CCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C2)CC1 1052064564 GGPJVCNFWBRGQW-BYNSBNAKSA-N 304.394 -0.379 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)C[C@@H]1CCC(=O)NC1)CCO2 1053286142 WLYJYJNYILDOSU-AWEZNQCLSA-N 319.405 -0.161 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)C(=O)N3CCC[C@@H]3CC)CO2)C1 1053974819 UENHIRGDBDUQIF-KGLIPLIRSA-N 319.405 -0.020 30 20 DBED C#CCN[C@H]1CN(C(=O)c2ccc(-n3cnnn3)cn2)C[C@H]1C 1054931228 ZSHIZTSOTOECIP-RISCZKNCSA-N 311.349 -0.259 30 20 DBED N#Cc1cnc(N2CCN(C(=O)c3cc[n+]([O-])cc3)CC2)cn1 1055712369 HMSSBPATCHNUBC-UHFFFAOYSA-N 310.317 -0.056 30 20 DBED N#Cc1cc([N+](=O)[O-])ccc1N1CCN(C(=O)CC(N)=O)CC1 1055747129 PZWDSUXEUSBPLT-UHFFFAOYSA-N 317.305 -0.010 30 20 DBED N#Cc1ccc(N2C[C@@H]3C(NC(=O)Cn4nccn4)[C@H]3C2)cn1 1056316486 XVFBWPZZBBBFIV-STQMWFEESA-N 309.333 -0.204 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H]1CCN(C(=O)[C@H]2CCNC(=O)C2)C1 1056599640 MACBFBGKPVQFSA-WCQYABFASA-N 313.361 -0.086 30 20 DBED C=CCCn1cc(C(=O)NCCN(CCO)C(=O)C2CC2)nn1 1056758128 SPQHMYHRLVDYBV-UHFFFAOYSA-N 321.381 -0.185 30 20 DBED N#Cc1nc(=N[C@@H]2CCN(C(=O)[C@]3(F)CCOC3)C2)cc[nH]1 1056760929 SHPLMHAISKMVTN-YGRLFVJLSA-N 305.313 -0.088 30 20 DBED C[C@H](C(=O)N1CC[C@@H](Nc2ccc(C#N)nn2)C1)S(C)(=O)=O 1056816530 FQFCRNVFVQNXKC-MWLCHTKSSA-N 323.378 -0.206 30 20 DBED C=C[C@](C)(O)CC(=O)N(CCO)CCNC(=O)Cn1cccn1 1057449405 BMSAUJJWTXLFEP-HNNXBMFYSA-N 324.381 -0.853 30 20 DBED N#Cc1nc(=N[C@H]2CCCN(C(=O)[C@@H]3COC(=O)N3)C2)cc[nH]1 1057630924 GWQYXEZKVIDGOH-UWVGGRQHSA-N 316.321 -0.719 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)CCc1ccncn1 1057808705 ICHVAESFIXMLCB-LBPRGKRZSA-N 319.365 -0.494 30 20 DBED Cn1nncc1C(=O)NC1CCN(c2nccnc2C#N)CC1 1057864714 FKWCGPOSUKZZLK-UHFFFAOYSA-N 312.337 -0.124 30 20 DBED Cc1cc(C#N)nc(N2CC[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)n1 1058544820 JMMSXGTYMOAGQH-JLLWLGSASA-N 314.349 -0.527 30 20 DBED N#Cc1ccc(N2CC[C@@H](NC(=O)[C@H]3CCC(=O)NC3)C2)nn1 1058594095 IGFBGFPBYJYVTC-CMPLNLGQSA-N 314.349 -0.431 30 20 DBED Cc1ncn(C)c1C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N 1058658868 NIUQOBBLKQQWPA-JTQLQIEISA-N 307.354 -0.561 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)Cc1cscn1 1058658940 OQVWAPFHQSHLKQ-JTQLQIEISA-N 310.379 -0.218 30 20 DBED C=CCCCC(=O)NCCN(CCO)C(=O)[C@H](COC)OC 1058758192 IPFVAGIMRGUSKU-ZDUSSCGKSA-N 316.398 -0.059 30 20 DBED CN(c1ccnc(C#N)n1)[C@@H]1CCCN(C(=O)CC(N)=O)C1 1061183111 WJNNGYTZQYJDDV-SNVBAGLBSA-N 302.338 -0.349 30 20 DBED C=CCOCC(=O)NC[C@H]1COCCN1C(=O)c1ccn(C)n1 1061424445 UTEVBPGDLTXWGY-LBPRGKRZSA-N 322.365 -0.420 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@H]1COCCN1C(=O)c1cnn[nH]1 1061538956 UUULMSWTQOXQQC-IINYFYTJSA-N 323.353 -0.911 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)C1(CN(C)C)CC1 1061825603 JYKOGZQKMBXPCX-CHWSQXEVSA-N 322.409 -0.169 30 20 DBED CC(C)C#CC(=O)N1CCOC[C@@H]1CNC(=O)C1(C(N)=O)CC1 1061839250 ZZJTXLUSFVOSPF-LBPRGKRZSA-N 321.377 -0.745 30 20 DBED Cc1ncc(C(=O)N2CCOC[C@@H]2CNC(=O)[C@H](C)C#N)n1C 1061851340 NCIJBNPMOVXZMX-PWSUYJOCSA-N 319.365 -0.155 30 20 DBED N#Cc1nccc(N2[C@H]3CC[C@H]2CN(C(=O)Cn2cncn2)C3)n1 1061966257 VXVVMJMUMXLSLT-RYUDHWBXSA-N 324.348 -0.180 30 20 DBED N#Cc1nc(=NC[C@H]2CCCN2C(=O)[C@@H]2COC(=O)N2)cc[nH]1 1063479274 VYYXRFHLEKTSSO-ZJUUUORDSA-N 316.321 -0.719 30 20 DBED C=CCO[C@@H](C)C(=O)NC[C@@H]1CN(C(=O)COCC)CCO1 1064801372 QAPMLSSMLXRATK-QWHCGFSZSA-N 314.382 -0.042 30 20 DBED C=CCCC(=O)N1CCO[C@@H](CNC(=O)[C@H](COC)OC)C1 1064957734 PBMBTMBHTMMCAK-STQMWFEESA-N 314.382 -0.042 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](CNC(=O)c3nc[nH]n3)C2)nc1 1067675373 APYLZFCZOVPFGI-MNOVXSKESA-N 313.321 -0.702 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1COC2(C1)CN(C(=O)C1=CCOCC1)C2 1069003128 KFCKZTOAYBASRW-YPMHNXCESA-N 319.361 -0.021 30 20 DBED Cn1nncc1C(=O)NCc1cnn2c1CN(CC#N)CC2 1069859315 OYEKNRVDWNMBRC-UHFFFAOYSA-N 300.326 -0.719 30 20 DBED C#CCN1CCn2ncc(CNC(=O)[C@H]3C[C@H]3C(N)=O)c2C1 1069874043 INCZTMQPJAKBAJ-NEPJUHHUSA-N 301.350 -0.931 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)Cc2cncnc2)C1 1069918351 MGKLOFDSVPXNHW-KGLIPLIRSA-N 311.349 -0.715 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)Cc2cc[nH]n2)CCOCC1 1070051045 HBWCYRMDUHLKCB-NSHDSACASA-N 319.365 -0.107 30 20 DBED C#CCCN1C[C@H]2C[C@H]3CN(C(=O)[C@@H]4CCNC4=O)C[C@@]3(C1)O2 1070835155 IHJHOOBEZNAJMT-ZOMKSWQUSA-N 317.389 -0.553 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CCCN(C(=O)C(C)(C)C(N)=O)C1 1070875354 SRADCQGKAJJICW-NWDGAFQWSA-N 323.393 -0.357 30 20 DBED C=CCN1CC[C@]2(C1)CN(C(=O)Cn1ncnn1)C[C@@H](C)O2 1071168756 HFKBIBIJSSFJJF-OCCSQVGLSA-N 306.370 -0.449 30 20 DBED CNC(=O)NCC(=O)N1C[C@@H](NC(=O)C#CC(C)C)[C@H](C)C1 1072267552 COBBFEDMAJWBFY-VXGBXAGGSA-N 308.382 -0.462 30 20 DBED C#CCOCCC(=O)N[C@H]1CN(C(=O)Cc2cnc[nH]2)C[C@@H]1C 1072801304 PQIULZVQAYROBE-JSGCOSHPSA-N 318.377 -0.045 30 20 DBED N#CCN1CCC2(C1)CN(C(=O)[C@]13C[C@H]4C[C@@H](C(=O)N1)[C@H]3C4)C2 1072879054 KNMJKHZEIFERTA-SFDCBXKLSA-N 314.389 -0.041 30 20 DBED C=C(C)C[C@@H](C)C(=O)N1CC(N2CCN(C(=O)C(N)=O)CC2)C1 1073596115 FLSZXIRXPYCORN-GFCCVEGCSA-N 322.409 -0.571 30 20 DBED C=CCCN1CCO[C@@H]2CCN(C(=O)CS(C)(=O)=O)C[C@H]21 1074188089 NCDJILFISZMURK-CHWSQXEVSA-N 316.423 -0.091 30 20 DBED C#CCO[C@@H](C)C(=O)NCC[C@H](C)NC(=O)[C@H](C)NC(N)=O 1076510130 DPMJIETXCWNFDQ-DCAQKATOSA-N 312.370 -0.908 30 20 DBED C=CCCOCC(=O)NCC[C@H](C)NC(=O)[C@@H]1CCC(=O)N1 1077062986 SZTXLUWAYDLQJA-RYUDHWBXSA-N 311.382 -0.131 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2n[nH]c3c2CCCCC3)C1 1078182388 SIMCQBLRQBRYEX-CHWSQXEVSA-N 303.366 -0.023 30 20 DBED C#CCNC(=O)CC(=O)N(CC)C1CN(C(=O)[C@@H](C)C#N)C1 1079644648 NPHJCEWLKARWKU-NSHDSACASA-N 304.350 -0.655 30 20 DBED CCN(C(=O)C[C@H]1CCC(=O)N1)C1CN(C(=O)[C@@H](C)C#N)C1 1080079575 SGKYLGGOCZCRPY-WDEREUQCSA-N 306.366 -0.126 30 20 DBED O=C(NC1(CO)CCN(C(=O)C#CC2CC2)CC1)[C@H]1CCOC1 1080762369 UPWRBTWGGBKKRJ-AWEZNQCLSA-N 320.389 -0.094 30 20 DBED C#Cc1ccc(C(=O)N2C[C@@H](O)[C@H](CNC(=O)COC)C2)cc1 1081165813 DKFJZCBGEIVTRN-HUUCEWRRSA-N 316.357 -0.137 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1O 1081334634 AMHDZGFVNWZCDP-ZYHUDNBSSA-N 307.354 -0.670 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2cocn2)C[C@@H]1O 1081346063 CWBYWCHAGYCCQH-JQWIXIFHSA-N 309.322 -0.574 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cncnc2)C1 1081425198 OXSQRCYDVBPZGX-OLZOCXBDSA-N 304.350 -0.008 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)Cn2ccnc2)C[C@@H]1O 1081444768 MTGGTEZWJMYBEL-KGLIPLIRSA-N 318.377 -0.378 30 20 DBED C=C(C)CCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2cnnn2C)C1 1081446582 BZKIEKLJPUZPQC-DGCLKSJQSA-N 321.381 -0.280 30 20 DBED C=CCCOCC(=O)NC[C@@H]1CN(C(=O)CSC)C[C@H]1O 1081566618 KBTZFHNSQSMPSA-VXGBXAGGSA-N 316.423 -0.122 30 20 DBED C=CCCOCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cnon2)C1 1081684378 FOLDBEPPZKIVFL-PWSUYJOCSA-N 324.337 -0.789 30 20 DBED C=CCCCC(=O)NC[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@@H]1O 1081703426 QFSBNRWGJFOPQU-YPMHNXCESA-N 321.381 -0.280 30 20 DBED C#CCNC(=O)CC(=O)N1CCCC[C@H]1CNC(=O)[C@@H](C)OC 1082016955 LGQYEMXXTYFBCX-OLZOCXBDSA-N 323.393 -0.342 30 20 DBED CC#CCN1C[C@@H](NC(=O)c2c[nH]c(C(N)=O)c2)[C@H](OC)C1 1082372559 NZJWNVIVRNOMJI-CHWSQXEVSA-N 304.350 -0.434 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)c2ccn(CCN(C)C)n2)C1 1083470181 CZWGYNHLZIWRTB-CABCVRRESA-N 319.409 -0.757 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](NC(=O)Cn2nnnc2C(C)C)C1 1083845413 ZMQLXIVXZAXIPK-OLZOCXBDSA-N 322.413 -0.076 30 20 DBED CCO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1CNCc1ncnn1C 1087035610 HNLKMFQZACMAEK-JHJVBQTASA-N 320.397 -0.072 30 20 DBED CCN(c1cncc(C#N)n1)[C@H](C)CNC(=O)C1(C(N)=O)CC1 1089740159 KQPZGJBQAAPKCH-SNVBAGLBSA-N 316.365 -0.055 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2cnn3ccncc23)[C@@H](O)C1 1090328296 ZWMNCOYQJRDSNR-ZFWWWQNUSA-N 313.361 -0.082 30 20 DBED CO[C@@H](C)C(=O)N[C@@H]1CN(c2ccc(C#N)c(C)n2)C[C@H]1O 1090377823 MZIAFYOEIPLPHB-CYZMBNFOSA-N 304.350 -0.038 30 20 DBED C#CCCN1CC[C@H](NC(=O)Cc2cc(C)nn2C)[C@@H](O)C1 1090427431 KMNJFDWXEAUHGI-GJZGRUSLSA-N 304.394 -0.154 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2ccc3nc(O)[nH]c3n2)[C@@H](O)C1 1090522540 JPKJJLCKSSDIAG-KCJUWKMLSA-N 316.321 -0.648 30 20 DBED CC(=O)NCc1ccc(C(=O)N[C@@H]2CCN(CC#N)C[C@@H]2O)o1 1090646769 LPKMGSWQPFPHEJ-OLZOCXBDSA-N 320.349 -0.396 30 20 DBED Cc1cc(C#N)nc(N[C@@H]2CN(C(=O)CNC(N)=O)C[C@H]2C)n1 1090954778 AEFPFDYYPRGHDR-LDYMZIIASA-N 317.353 -0.416 30 20 DBED CO[C@H](C)C(=O)N[C@@H]1CN(c2cc(C)ncc2C#N)C[C@@H]1O 1091067969 VYHWPWKQDLXZSN-QKCSRTOESA-N 304.350 -0.038 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(c2ncnc3[nH]cnc23)C[C@@H]1O 1091082093 XJASRRAHQPHLTI-ZJUUUORDSA-N 318.337 -0.779 30 20 DBED COCCCC(=O)N[C@@H]1CN(c2nc(C)cc(C#N)n2)C[C@@H]1O 1091089790 RESRORJMDOQBEU-OLZOCXBDSA-N 319.365 -0.251 30 20 DBED C#CCNC1CC(CNC(=O)[C@H]2CCc3nnnn3CC2)C1 1091243444 JBRWYZHCABGNRT-CPCZMJQVSA-N 302.382 -0.257 30 20 DBED N#Cc1nccc(N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)CC(N)=O)n1 1092954732 GXTSDMKTYBQHHI-BBBLOLIVSA-N 300.322 -0.550 30 20 DBED CC#CCN1C[C@@H](C)[C@H](CNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 1093011758 JRPXUGFWSTYRKB-UTUOFQBUSA-N 306.366 -0.708 30 20 DBED CC#CCN1CC(OC2CCN(C(=O)Cn3cnnn3)CC2)C1 1093505053 BSNICCWFIJZLSA-UHFFFAOYSA-N 318.381 -0.612 30 20 DBED Cc1cc(C#N)nc(NCCCNC(=O)Cn2ncnn2)n1 1094598121 GGWUNSZPCSNNMH-UHFFFAOYSA-N 301.314 -0.738 30 20 DBED C=CCN1CC[C@H](N2CC(N3C[C@H](NC(C)=O)CC3=O)C2)C1=O 1094686980 HBRGNKXBIYIHMI-OCCSQVGLSA-N 320.393 -0.806 30 20 DBED N#Cc1nc(=NCCCNC(=O)[C@H]2CC[C@@H]2C(N)=O)cc[nH]1 1094702990 GZDCYBDQXWDHHU-UWVGGRQHSA-N 302.338 -0.800 30 20 DBED COCC(=O)NCCC(=O)NCCCN=c1cc[nH]cc1C#N 1094845271 ALERJIGSXZZPAD-UHFFFAOYSA-N 319.365 -0.554 30 20 DBED CN(c1cnc(C#N)cn1)[C@H]1CCN(C(=O)CNC(N)=O)C1 1095091715 SZBISVPNITVUNW-JTQLQIEISA-N 303.326 -0.946 30 20 DBED N#Cc1cnc(N2CCC(NC(=O)CCNC(N)=O)CC2)cn1 1095414608 JVXYTAGSSQILMG-UHFFFAOYSA-N 317.353 -0.508 30 20 DBED CN(CCCNC(=O)CCn1cnnn1)c1cnc(C#N)cn1 1095619235 OTBMXKJVSVJLFY-UHFFFAOYSA-N 315.341 -0.632 30 20 DBED C[C@H](CNC(=O)CSCC#N)Nc1nccn2nnnc12 1097676327 POOIPACMICUWAM-MRVPVSSYSA-N 306.355 -0.307 30 20 DBED CCc1nc(C#N)cc(N[C@H](C)CNC(=O)[C@H]2COC(=O)N2)n1 1097817155 OYQHJCYJRBXLNN-PSASIEDQSA-N 318.337 -0.064 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCS(=O)(=O)C1)Nc1ccc(C#N)nn1 1098136432 HDIBEYSYJRMHTM-UWVGGRQHSA-N 323.378 -0.300 30 20 DBED C#CCN1C[C@@H]2CCC[C@]2(NC(=O)Cn2ncn(C)c2=O)C1 1098912652 PQFNKDHRPGEWAV-WFASDCNBSA-N 303.366 -0.814 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2cccn2C)[C@H](O)C1 1099669179 NPUXYQFUUCSOPY-UKRRQHHQSA-N 305.378 -0.160 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)C2=CCCC2)[C@@H](O)C1 1099780334 FTVSMIBCSKFQBD-KBPBESRZSA-N 307.394 -0.050 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)CC(=O)N(C)C)[C@@H](O)C1 1100029601 QJTJVPCAYFDWQZ-STQMWFEESA-N 313.398 -0.781 30 20 DBED C=C(C)CCN1CC[C@H](NC(=O)CCn2cnnn2)[C@H](O)C1 1100046271 JGJJYWSESZZHKI-QWHCGFSZSA-N 308.386 -0.419 30 20 DBED CN(CCNC(=O)c1cc(=O)n(C)cn1)c1ccnc(C#N)n1 1100390114 XFFPZMWVQWSIOA-UHFFFAOYSA-N 313.321 -0.692 30 20 DBED C#CCNC(=O)CC(=O)N(C)CCNc1cc(C)nc(OC)n1 1101551103 SMQCUXZHRARSFC-UHFFFAOYSA-N 319.365 -0.197 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1CNC(=O)COCC1CC1 1101757576 WIBZULHMKMOPMA-TZMCWYRMSA-N 322.409 -0.263 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1CCNC(=O)[C@H]1CCOC1 1102747956 OCNNHPKQAIWPPK-MCIONIFRSA-N 322.409 -0.263 30 20 DBED C[C@@H](C(=O)N(C)[C@H](C)CN=c1cc[nH]c(C#N)n1)n1cncn1 1104528301 RVPLJBKFWYDTML-MNOVXSKESA-N 314.353 -0.118 30 20 DBED CC(C)C#CC(=O)N1CC(n2cc(CN[C@@H](C)C(N)=O)nn2)C1 1105233310 STDZZRZNNCTXEL-NSHDSACASA-N 318.381 -0.716 30 20 DBED CC(C)[C@H](CNC(=O)[C@@H]1CNC(=O)N1)Nc1cncc(C#N)n1 1105277703 JRAGDCXHOVZEQT-QWRGUYRKSA-N 317.353 -0.418 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)CNC(=O)C2CC2)nc1 1105722765 XOHCWYDLDOOGBL-GFCCVEGCSA-N 317.349 -0.632 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H](O)CN=c2cc[nH]cc2C#N)c1 1105809171 XDHHAQCAYNLSIM-GFCCVEGCSA-N 310.317 -0.222 30 20 DBED N#Cc1cncc(NC[C@H](O)CNC(=O)Cc2cccnc2)n1 1105819581 GJXXEWMTOCZZSH-ZDUSSCGKSA-N 312.333 -0.125 30 20 DBED CO[C@H](C(=O)NC[C@H](O)CN=c1cc[nH]cc1C#N)C1CC1 1105834536 ZOLHEYYBFZHJFP-OCCSQVGLSA-N 304.350 -0.311 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H](O)CNc1ncnc2c1CCC2 1105971100 SQFGBHLUWPJVHN-NEPJUHHUSA-N 318.377 -0.107 30 20 DBED COC[C@H](OC)C(=O)NC[C@H](O)CNc1nc(C)ccc1C#N 1106087083 MMOQDGFXERLVEJ-OLZOCXBDSA-N 322.365 -0.188 30 20 DBED N#Cc1nc(=NC/C=C\CNC(=O)[C@H]2COCCO2)cc[nH]1 1107050333 GACOXDAGGDUHAM-RFMOXSJOSA-N 303.322 -0.730 30 20 DBED C#CCNC(=O)CN1CCO[C@@](C)(CNC(=O)C2CCC2)C1 1107676530 CCFABYVGJCASFC-INIZCTEOSA-N 307.394 -0.257 30 20 DBED Cn1c(C(=O)NC[C@@]2(C)CN(CC#N)CCO2)cccc1=O 1108205250 KADHGTHQTVLSCD-HNNXBMFYSA-N 304.350 -0.270 30 20 DBED C#CCCN1CCO[C@](C)(CNC(=O)C2CC(=O)NC(=O)C2)C1 1108278175 IKXLXYQCZZIHOK-MRXNPFEDSA-N 321.377 -0.730 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)C(=O)Nc2cc(C)on2)C1 1108394615 JATDKDLHWNTKQB-HNNXBMFYSA-N 320.349 -0.238 30 20 DBED C[C@@]1(CNC(=O)CCN2CCCC2=O)CN(CC#N)CCO1 1108404561 DGFDGUHKDDPEQK-OAHLLOKOSA-N 308.382 -0.270 30 20 DBED C=CCN1CCO[C@@](C)(CNC(=O)c2cn(C)c(=O)n2C)C1 1108425868 IJZJBUNMDUCXHC-HNNXBMFYSA-N 308.382 -0.270 30 20 DBED C=CCNC(=O)CN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC(=O)NC)C2 1108670058 QAMGXLDMWOZAIL-XQQFMLRXSA-N 322.409 -0.606 30 20 DBED C[C@@H](CN(C)c1ccnc(C#N)n1)NC(=O)[C@@H]1CCNC(=O)C1 1108894924 NQAYYJLEGIOZRB-WDEREUQCSA-N 316.365 -0.185 30 20 DBED C[C@@H](CN(C)c1nccnc1C#N)NC(=O)[C@@H]1CN(C)C(=O)N1 1109194042 MKZBMCNAMQJKHU-ONGXEEELSA-N 317.353 -0.687 30 20 DBED N#Cc1cncc(NC2(CNC(=O)[C@H]3CCNC(=O)C3)CC2)n1 1110099979 OEVISFPGHUIKBF-JTQLQIEISA-N 314.349 -0.065 30 20 DBED C#CCNC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)COCC 1110260268 AVVGSGXCFJOJGH-SYQHCUMBSA-N 307.394 -0.118 30 20 DBED CNC(=O)NCC(=O)N[C@@]1(C)CCN(c2ccncc2C#N)C1 1110822431 KTLYSKKHONBKBI-HNNXBMFYSA-N 316.365 -0.033 30 20 DBED CCC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC#N)S(N)(=O)=O 1110856805 SGFDLVRNOIJLMU-WYUUTHIRSA-N 314.411 -0.311 30 20 DBED COCCC(=O)NC[C@@]1(O)CCN(c2ccc(C#N)nn2)C1 1111016018 VMWOCGDMMGIOKZ-AWEZNQCLSA-N 305.338 -0.558 30 20 DBED N#Cc1ccc(NCCN(CCO)C(=O)[C@H]2C[C@H]2C(N)=O)cn1 1111566701 VIKKKXGLCYRLOA-OLZOCXBDSA-N 317.349 -0.693 30 20 DBED C[C@H](C#N)C(=O)N[C@]12CCC[C@H]1CN(Cc1nnnn1C)C2 1111660644 QQQRHGCMPFFEFK-SUNKGSAMSA-N 303.370 -0.160 30 20 DBED COCC#CCN1CCN(C(=O)C(=O)Nc2cc(C)on2)CC1 1113627975 BURXNOBTNXXCPW-UHFFFAOYSA-N 320.349 -0.284 30 20 DBED C[C@@H](CNC(=O)Cn1nccn1)N(C)c1nccnc1C#N 1113737551 XHZRQKYNAIBQEP-JTQLQIEISA-N 300.326 -0.419 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)c3c(C)noc3C)[C@@H]2C1 1113838729 INVGJIRUVBYAJA-VXGBXAGGSA-N 316.361 -0.299 30 20 DBED CCn1cc(C(=O)NC2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]23)cn1 1114058178 RVTUXXXJMUOKMC-VXGBXAGGSA-N 316.365 -0.797 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@H]1[C@@H]2CN(Cc3cn(C)nn3)C[C@@H]21 1114194637 SPIMFVCTPRRROS-PAPYEOQZSA-N 305.382 -0.311 30 20 DBED C#CCCCC(=O)N[C@H]1[C@@H]2CN(C[C@@H](O)COCCOC)C[C@@H]21 1114198612 FQWLEZVUHXNJSB-AIANPOQGSA-N 324.421 -0.140 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)[C@@]3(C)CCC(=O)NC3)[C@@H]2C1 1114721308 MUMHWAQJGVTXEF-XNJGSVPQSA-N 319.405 -0.401 30 20 DBED CC#CCN1C[C@H]2C(NC(=O)CN(C)S(=O)(=O)CC)[C@@H]2C1 1115051727 AODLRQGAWFKLJO-VXGBXAGGSA-N 313.423 -0.662 30 20 DBED C#CCCN1C[C@H]2C(NC(=O)CNC(=O)c3cscn3)[C@@H]2C1 1115083856 SPWAJNFIWZKJBV-GHMZBOCLSA-N 318.402 -0.057 30 20 DBED CCCCS(=O)(=O)NCC(=O)N[C@H]1[C@@H]2CN(CC#N)C[C@@H]21 1115180106 LOEACOWRBQXFIV-PJXYFTJBSA-N 314.411 -0.724 30 20 DBED C[C@H](CN(C)C(=O)CCNC(N)=O)Nc1cncc(C#N)n1 1115727204 GQQLKIVIIJVYNW-SECBINFHSA-N 305.342 -0.335 30 20 DBED C[C@H]1C(=O)N(C)CCN1C(=O)C(=O)NCc1ccc(C#N)cc1 1117218586 KRGGQKUHAPFGPL-NSHDSACASA-N 314.345 -0.136 30 20 DBED CNC(=O)NCC(=O)N(C)C[C@H](C)N=c1cc[nH]cc1C#N 1120817078 IMXGCGBIBASGLC-JTQLQIEISA-N 304.354 -0.437 30 20 DBED N#Cc1cccnc1N[C@@H](CO)CNC(=O)c1cc[n+]([O-])cc1 1121010465 OCZQGAKCOQPTJH-CYBMUJFWSA-N 313.317 -0.211 30 20 DBED N#Cc1cncc(N[C@@H](CO)CNC(=O)C2=COCCC2)n1 1121197383 JQWNYBWUHATMMJ-GFCCVEGCSA-N 303.322 -0.068 30 20 DBED CSC[C@H](C)C(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1 1121239864 FBLFOMABCBTCHJ-VHSXEESVSA-N 309.395 -0.342 30 20 DBED N#CCNC(=O)CNC1CC2(C1)CC(NC(=O)c1cnn[nH]1)C2 1121354211 QXSPVPOHCHSLNC-UHFFFAOYSA-N 317.353 -0.925 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@H](CO)N=c1cc[nH]cc1C#N 1121405116 KWUFFTAGSNWYOM-DOMZBBRYSA-N 304.350 -0.409 30 20 DBED CO[C@@H](C(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1)C1CC1 1121504848 IREPYUKTLLRPAP-GXFFZTMASA-N 305.338 -0.916 30 20 DBED COCCNC(=O)[C@H](C#N)C(=O)CCCN1C(=O)CCC1=O 1122707423 JVPFDFNFMGCNEP-SNVBAGLBSA-N 309.322 -0.613 30 20 DBED CN(C[C@H](O)CNc1ccc(C#N)nn1)C(=O)c1ccnnc1 1124753651 LMAWWXTXNFPLPE-GFCCVEGCSA-N 313.321 -0.317 30 20 DBED C=CCOCC(=O)NCCNC[C@@H](O)CO[C@@H](C)COC 1124767917 OJQJDQQWVACRFM-QWHCGFSZSA-N 304.387 -0.693 30 20 DBED C[C@H](C#N)C(=O)NCCNCC(=O)N1CCOC[C@H]1C1CC1 1124895337 GHCGXCQNFFJKDL-YPMHNXCESA-N 308.382 -0.511 30 20 DBED Cc1cc(N(C)C[C@H](O)CN(C)C(=O)[C@@H](C)C#N)nc(CO)n1 1124989431 WHGRYOYQDURDFH-JQWIXIFHSA-N 321.381 -0.308 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCNCC(=O)Nc1nncs1 1126365747 NGAJIKBKWGJYBN-GFCCVEGCSA-N 313.383 -0.491 30 20 DBED C[C@H](NC(=O)CC(N)=O)C1CCN(c2ccnc(C#N)n2)CC1 1126724972 XEXLPTDQIVRJFR-JTQLQIEISA-N 316.365 -0.055 30 20 DBED C#CCNC(=O)CNCCNC(=O)COc1cc(C)ccc1F 1127305905 SALKXUOEZHJHCD-UHFFFAOYSA-N 321.352 -0.032 30 20 DBED C=C(C)CN[C@@H]1CN(C(=O)[C@H](C)NC(N)=O)C[C@@H]1n1ccnn1 1129782761 OHSWGYCOPYVPHE-TUAOUCFPSA-N 321.385 -0.748 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1cc2n(n1)CCCC2 1130045656 DVCJXMJACMGLGQ-UHFFFAOYSA-N 305.382 -0.159 30 20 DBED N#CCN1CC[C@H](Oc2cnccc2CNC(=O)CC(N)=O)C1 1130321166 GMIVLKVZOZKUPG-LBPRGKRZSA-N 317.349 -0.450 30 20 DBED COC(=O)NCC(=O)NCc1c[nH]nc1[C@H]1CCN(CC#N)C1 1130348808 WQFIXUQQNKVXSE-JTQLQIEISA-N 320.353 -0.305 30 20 DBED COc1ccc(CCC(=O)NCCNCC(=O)NCC#N)cn1 1131193630 WTEGLIAAYJACNL-UHFFFAOYSA-N 319.365 -0.632 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)CC(=O)NCC)CC[C@@H]1C 1131979913 DPRCEXOJXRFFTK-STQMWFEESA-N 324.425 -0.216 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)Cn2ccc(C)n2)C1=O 1134006100 FPYPVDURZOSFNR-ZDUSSCGKSA-N 305.382 -0.316 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)CCc1ncc[nH]1 1134228957 RJWDDUOVRUCETB-QWHCGFSZSA-N 319.409 -0.035 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)CC1CCN(C)CC1 1134783416 WOHYOMUCKLNBKS-CYBMUJFWSA-N 308.426 -0.438 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)c2cncc(OC)n2)C1=O 1134833264 SEJVPUBZHKGXAH-NSHDSACASA-N 319.365 -0.409 30 20 DBED CC#CCN[C@@H](C)C[C@@H](C)NC(=O)Cn1ccc(O)nc1=O 1134897220 BOHJLXAMUCDZLY-NWDGAFQWSA-N 306.366 -0.155 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1ccc2cccnn12 1134936492 URYRRLXRFITMME-LBPRGKRZSA-N 313.361 -0.208 30 20 DBED C=CCNC(=O)CNCCNC(=O)CNC(=O)CC1CCCC1 1135287060 UQOLWFCODFNEKV-UHFFFAOYSA-N 324.425 -0.309 30 20 DBED C=CCOCCNCCNC(=O)c1cn(C[C@@H]2CCOC2)nn1 1136000348 DTRGGXIFLDYMDJ-ZDUSSCGKSA-N 323.397 -0.163 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC2(CN(C(=O)[C@@H]3CCCO3)C2)C1 1146934175 RLDXIERCBXTWDK-KBPBESRZSA-N 319.405 -0.162 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1cc2c([nH]1)CCC2 1147525847 GMPJGPVLMYWQJG-NSHDSACASA-N 302.378 -0.039 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CN(Cc2cn(C)nn2)CCCO1 1149405740 DJLXWXPOIKEFTD-WCQYABFASA-N 306.370 -0.318 30 20 DBED CC#CCN1CCCO[C@@H](CNC(=O)C(=O)NCC(F)F)C1 1149930073 GSLJBQJJPURLRR-NSHDSACASA-N 317.336 -0.402 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)c1cnsn1 1152153770 LMUONAWCXSBZLQ-SECBINFHSA-N 310.383 -0.382 30 20 DBED C=CCN(CC=C)C(=O)CNCCCNC(=O)CN(C)C(C)=O 1154829506 ZNMLILVUIGTKSU-UHFFFAOYSA-N 324.425 -0.239 30 20 DBED C#CCCN1CCC(CNC(=O)[C@H]2COC(=O)N2)(COC)CC1 1162242296 QLIKCPUWVBAWCV-CYBMUJFWSA-N 323.393 -0.037 30 20 DBED N#CCNC(=O)CNCCCNC(=O)c1cc2n(n1)CCCO2 1162305052 GRVUNOGQNBTEBX-UHFFFAOYSA-N 320.353 -0.985 30 20 DBED C=CCNC(=O)CNCCCNC(=O)c1cnc2nccn2c1 1162546346 HEBUIKYOJBLIIE-UHFFFAOYSA-N 316.365 -0.259 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCC1(CNCC(=O)NCC#N)CC1 1164303361 LUOVLGSWBJQMRX-OAHLLOKOSA-N 322.409 -0.171 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)CCOCCOC 1177300524 DQTIVPNUVMUDJU-ZDUSSCGKSA-N 315.414 -0.174 30 20 DBED COCC#CCN[C@H]1CCN(C(=O)C(=O)NCC2CC2)[C@H]1C 1179813031 TWYCOVVZAQHLHO-JSGCOSHPSA-N 307.394 -0.259 30 20 DBED C=C(Cl)CN[C@@H]1CCN(C(=O)CCS(=O)(=O)NC)C1 1182496048 DHPKZCIPSNXXKQ-SNVBAGLBSA-N 309.819 -0.131 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@@H](N[C@H](C)C(=O)N(C)C)C1 1183361435 UMVGAILIMCCEMW-KFWWJZLASA-N 320.437 -0.249 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CCC(=O)NC2)C1 1183869145 SQHUGTARXMMPQX-NWDGAFQWSA-N 308.382 -0.995 30 20 DBED C#CCNC(=O)CNC[C@@H]1CCN(C(=O)c2cnon2)C[C@H]1C 1185335710 FDVQNAIPJNZOMI-NEPJUHHUSA-N 319.365 -0.493 30 20 DBED C[C@@H]1CN(C(=O)c2nccnc2C(N)=O)CC[C@@H]1CNCC#N 1185652031 OKUVHOFNQORQKO-GHMZBOCLSA-N 316.365 -0.213 30 20 DBED CNC(=O)C1(C(=O)N2CC[C@@H](NCC#CCOC)C2)CCC1 1187314622 JUGCYJCOBUFXIK-CYBMUJFWSA-N 307.394 -0.257 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2ccc(O)nn2)C1 1188774349 ACKHYNQJPLWHEQ-NSHDSACASA-N 319.365 -0.369 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CN(Cc2nc(C3CC3)n[nH]2)C[C@H]1O 1191863890 JPFQVLPHEBHJHD-JMJZKYOTSA-N 304.354 -0.497 30 20 DBED C#CCCCC(=O)N[C@@H]1CN([C@@H](C)C(=O)NCC#C)C[C@H]1O 1192524196 FIQAEEYJULSONQ-BFHYXJOUSA-N 305.378 -0.911 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(Cc2cnnn2CC)C[C@H]1O 1192529518 DOWJFEDXKPQXAB-NFAWXSAZSA-N 323.397 -0.714 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H](N(C)[C@@H](C)C(=O)NC)C2)nn1 1192723304 GNSXXJUEJDSIQE-RYUDHWBXSA-N 320.397 -0.255 30 20 DBED N#CCNC(=O)CN1CCCN(C(=O)CSCC#N)CC1 1194913486 WHFZRTIRBDMBJZ-UHFFFAOYSA-N 309.395 -0.583 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCCN(C(=O)[C@@H](C)OCC#C)CC1 1195807864 YVGNKSDEDSXYON-HUUCEWRRSA-N 319.405 -0.303 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)CCc2cnn[nH]2)C1 1196314457 VQEZZWZXWAQQJO-CHWSQXEVSA-N 309.370 -0.899 30 20 DBED C=CCC[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)c2ccc(=O)n(C)n2)C1 1198400284 KWQHLWBBSKBACD-MRVWCRGKSA-N 320.393 -0.090 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)COCCOCC)C1 1199144964 AIHLAKBUZNPGOX-ZIAGYGMSSA-N 316.398 -0.597 30 20 DBED C#CCCNC[C@H]1CN(C(=O)[C@@H]2CN(C)CCO2)CCCO1 1200180659 AWGIFEALYMHYNI-GJZGRUSLSA-N 309.410 -0.453 30 20 DBED C[C@@]1(C(=O)N2CCCO[C@H](CNCC#N)C2)CCNC(=O)C1 1200795450 KQFGWDFLRSQGJB-IUODEOHRSA-N 308.382 -0.367 30 20 DBED CC1CCN(C(=O)C(=O)N2CCCO[C@H](CNCC#N)C2)CC1 1201575862 DSHBJOMTOXTMHL-CQSZACIVSA-N 322.409 -0.024 30 20 DBED C#CCNC[C@@H]1CN(C(=O)C2CCN(C(N)=O)CC2)CCCO1 1202021359 KBBFGDLDBKHMBA-CQSZACIVSA-N 322.409 -0.383 30 20 DBED C#CCN[C@H]1C[C@@H](NC(=O)COCc2ncnn2C)C12CCC2 1203554829 GDYDLAIQIRJVNC-QWHCGFSZSA-N 317.393 -0.018 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)Cc2ccon2)[C@H](C)C1 1206746978 WELPVOWTLVDQBI-MBNYWOFBSA-N 318.377 -0.209 30 20 DBED CCNC(=O)NC(=O)CN1C[C@@H](NC(=O)C#CC2CC2)[C@H](C)C1 1206948550 QTBMAIDXPUYVTL-DGCLKSJQSA-N 320.393 -0.318 30 20 DBED C=CCNC(=O)[C@H](C)N[C@H]1CCCN(C(=O)C(C)(C)C(N)=O)C1 1208373306 HXDOJUFZEVNBAC-RYUDHWBXSA-N 324.425 -0.231 30 20 DBED C=CCOCCN[C@H]1CCCN(C(=O)[C@H]2CN(C)C(=O)N2)C1 1208961166 IGPUTUFAYRFBIZ-QWHCGFSZSA-N 310.398 -0.207 30 20 DBED N#CCN[C@@H]1CCCN(C(=O)CCNC(=O)c2cnccn2)C1 1211169994 SBGBSTMIDSBWRY-GFCCVEGCSA-N 316.365 -0.299 30 20 DBED CO[C@@H]1CN(CC(=O)N(C)C)C[C@H]1NC(=O)CSCC#N 1211886656 SXIGPXITHCEWNW-GHMZBOCLSA-N 314.411 -0.853 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@H]1C 1214343831 HOLFCEGOBZJRTG-MGPQQGTHSA-N 308.426 -0.181 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)CC2=CCOCC2)C[C@H]1C 1215470053 AERBJZYUINYXPZ-UKRRQHHQSA-N 319.405 -0.091 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CCNC(=O)COC 1218057955 VGCWXWUTMHLHGE-UONOGXRCSA-N 323.393 -0.926 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CCCn1cncn1 1218905263 ONTLMUPJOBHMDY-QWHCGFSZSA-N 304.354 -0.507 30 20 DBED C=CCNC(=O)NC(=O)CN1C[C@H](O)[C@H](NC(=O)C=C(C)C)C1 1219141397 SNGPNDNHVZMQNK-NEPJUHHUSA-N 324.381 -0.874 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2cscc2C)C1 1219424083 AXPSDACZCVAJRN-OLZOCXBDSA-N 321.402 -0.419 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)CC[C@H](C)OC)C1 1219500213 UDBSRIWLGGPYFP-XQQFMLRXSA-N 313.398 -0.735 30 20 DBED C=CCCCN1C[C@H](O)[C@H](NC(=O)C(C)(C)S(C)(=O)=O)C1 1220463133 BLOLSSUNIDOJLA-NEPJUHHUSA-N 318.439 -0.063 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)CNC(=O)c2ccco2)C1 1220905132 ATIXLACRIBLGNG-NEPJUHHUSA-N 307.350 -0.253 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)CCNC(=O)c2ccco2)C1 1220928764 FCWLIWOFUOXGFQ-NEPJUHHUSA-N 305.334 -0.806 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(CC(=O)NCCC)C[C@@H]1O 1221139854 QJSNDXKTFBXCOO-OLZOCXBDSA-N 313.398 -0.733 30 20 DBED COCC#CCN1CCC(NC(=O)CS(C)(=O)=O)CC1 1226377032 JDTFDMCIFXEYGG-UHFFFAOYSA-N 302.396 -0.739 30 20 DBED C=C[C@@](C)(O)CC(=O)NC1CCN(Cc2nc(=O)n(C)[nH]2)CC1 1227115909 YFSMXLKEPBUANP-OAHLLOKOSA-N 323.397 -0.484 30 20 DBED C#CCN(CCCNC(=O)[C@@H]1CNC(=O)N1)Cc1cccnc1 1230829643 KOEQQLXDJLSTCA-AWEZNQCLSA-N 315.377 -0.296 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)c1ncoc1C 1230947652 FUARHBQYMIYZQY-GFCCVEGCSA-N 304.350 -0.121 30 20 DBED COCC#CCN1CC[C@@H]1CN(C)C(=O)CCn1ccnn1 1233906048 CVGZKCDKXGYRHH-CQSZACIVSA-N 305.382 -0.149 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C[C@H]1CCN1CCn1cncn1 1234267382 YKMRONJIKLEQPN-ZIAGYGMSSA-N 305.382 -0.151 30 20 DBED C=CCOCC(=O)N[C@@H]1CCCN(CCS(C)(=O)=O)C1 1316939820 BRAKPFCHEAEQQO-GFCCVEGCSA-N 304.412 -0.186 30 20 DBED C#CCNC(=O)C1CCN(C(=O)c2ccc3nnnn3c2)CC1 1321259081 WDRMKUPXBBDVFP-UHFFFAOYSA-N 312.333 -0.274 30 20 DBED COc1cc(C#N)ccc1NC(=O)C(=O)NC1(C(N)=O)CC1 1323712686 XPUAWZZJQFBUSB-UHFFFAOYSA-N 302.290 -0.361 30 20 DBED C=CCN(C(=O)C(=O)N1CCN(CCOC)C(=O)C1)C(C)C 1324860827 BORVTOFVBYUXAE-UHFFFAOYSA-N 311.382 -0.273 30 20 DBED COC[C@@H](NC(=O)C(=O)N1CC[C@@](O)(CC#N)C1)c1ccco1 1328286064 MSHXLLIXJJVFSU-ABAIWWIYSA-N 321.333 -0.040 30 20 DBED O=C1C=CC=N/C1=C(\O)NCCC(=O)N1[C@H]2CC[C@H]1CNC2 1328471670 FKGVLSWBWVTEKT-XHCVWTGESA-N 304.350 -0.134 30 20 DBED CC(C)NC1CCN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)CC1 1329452424 AAYDXCCPZSTZMR-MRXNPFEDSA-N 322.409 -0.148 30 20 DBED C=C(CO)C(=O)N1[C@@H](C(=O)NCCC(=O)OC)CS[C@@H]1C 1331644796 OQPDNHMBSRHQEI-NXEZZACHSA-N 316.379 -0.496 30 20 DBED C=CCCOCCn1nnnc1N1CCS(=O)(=O)CC1 1334731442 HCHRJBMUURMFTM-UHFFFAOYSA-N 301.372 -0.499 30 20 DBED N#C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](N3CCCC3=O)C2)C1 1335634284 YRHOBPIGCQSTBI-QWHCGFSZSA-N 318.377 -0.028 30 20 DBED N#Cc1cccnc1NCCNC(=O)C(=O)Nc1cncnc1 1342690099 CMVHNKCOPMUSJD-UHFFFAOYSA-N 311.305 -0.090 30 20 DBED C=CCn1cc(CNS(=O)(=O)[C@@H](C)C(=O)N(C)C)nn1 1348977435 GERRCILPSOODAD-VIFPVBQESA-N 301.372 -0.640 30 20 DBED C=CCC1(O)CCN(C(=O)C(=O)N2CCn3cnnc3C2)CC1 1352938920 VAAPHKWJTFYHGV-UHFFFAOYSA-N 319.365 -0.450 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)[C@@H]2CCc3nnc(O)n3C2)C1=O 1353678534 LRZAHLUIJCFDQL-MNOVXSKESA-N 319.365 -0.209 30 20 DBED COC(=O)[C@]1(NC(=O)CNc2ccc(C#N)cn2)CCOC1 1362421805 UVLZJPOMGRFQCT-AWEZNQCLSA-N 304.306 -0.187 30 20 DBED N#Cc1cn(CCC(=O)NCC2(CO)CCC2)c(=O)nc1O 1362649872 MZXRCCTZVXDWMN-UHFFFAOYSA-N 306.322 -0.511 30 20 DBED N#Cc1ccnc(C(=O)N2CCC(C(=O)NCCO)CC2)c1 1364246660 GJRRMRASSQJJBD-UHFFFAOYSA-N 302.334 -0.086 30 20 DBED COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N1CC[C@@](F)(C#N)C1 1365230045 OCSSRBZEJFSFPL-MWODSPESSA-N 314.317 -0.300 30 20 DBED CCC(=O)NC[C@H]1COCCN1CC(=O)N(CC)CCC#N 1368426790 OZOCHVUOFRMDEC-ZDUSSCGKSA-N 310.398 -0.024 30 20 DBED Cc1cc(C)n(CCN2CC(O)(CNC(=O)[C@H](C)C#N)C2)n1 1380580461 HAOKKUVRQBYZAQ-LLVKDONJSA-N 305.382 -0.177 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(CC(=O)Nc2ccccc2)C1 1380581604 OBNYUQUDKWOXRD-GFCCVEGCSA-N 316.361 -0.052 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@@H](C)CNC(=O)c1cccc(C(N)=O)n1 1380783406 WZFCMZRDWBNZQN-UWVGGRQHSA-N 317.349 -0.083 30 20 DBED CC(=O)N[C@@H](C)C(=O)N(C)CCNC(=O)c1cc(C#N)c[nH]1 1386839146 ICZIVUFMIBOFOW-VIFPVBQESA-N 305.338 -0.401 30 20 DBED CCN(CCC#N)C(=O)CN(C)CCNC(=O)[C@@H]1CCCO1 1390736942 UPNGFCVXADCRQZ-ZDUSSCGKSA-N 310.398 -0.024 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)C[C@H]2CCN(C)C2=O)CC1 1393692717 AVESYIWIPGIXBV-WDEREUQCSA-N 306.366 -0.221 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CCCCN2C(N)=O)C1 1397220603 CGUVLYNCDRMLJF-FIQHERPVSA-N 321.381 -0.157 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCN(C)C(=O)CCCS(N)(=O)=O 1399722975 IUCIOQUXZCUGDP-JTQLQIEISA-N 318.399 -0.868 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2CCC(=O)N2C)C1 1406610820 QTBKPEQLVPFUNY-YFKTTZPYSA-N 306.366 -0.222 30 20 DBED CCN(CCNC(=O)CCN1CCOCC1)C(=O)[C@@H](C)C#N 1408768025 LPPCQXLLGCTKHC-ZDUSSCGKSA-N 310.398 -0.167 30 20 DBED N#Cc1ncn(CCNC(=O)N[C@H]2CCO[C@]3(CCOC3)C2)n1 1414587923 WWYNHGLFUMTZGG-SMDDNHRTSA-N 320.353 -0.213 30 20 DBED C[C@H](C#N)C(=O)NCCN1CCN(CC(=O)N2CCCC2)CC1 1417917656 ODVPQQIZTWSJAM-CQSZACIVSA-N 321.425 -0.498 30 20 DBED C=C(Br)CN(C)CCNC(=O)CNC(=O)NC 1418464037 STDQSGPBSIFJAP-UHFFFAOYSA-N 307.192 -0.128 30 20 DBED CCN(CCC#N)C(=O)CN(C)CCNC(=O)c1cnn(C)n1 1420307346 LXICOBMHSXCACF-UHFFFAOYSA-N 321.385 -0.761 30 20 DBED CC(C)OCC(=O)N[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1O 1426644550 PDNGWQVIKWIJEX-OLZOCXBDSA-N 320.349 -0.387 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CN(C)C(=O)C1CC1 1432500569 PNUZJQHVFHPEQW-WXHSDQCUSA-N 318.377 -0.174 30 20 DBED C=C(Cl)CN[C@H]1C[C@H](NC(=O)CCNS(C)(=O)=O)C1 1441389381 UZOUZRVCYIGEMW-MGCOHNPYSA-N 309.819 -0.085 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCN(C(=O)CNC(=O)C3CC3)C2)C1 1452419555 OLXJMKYDYCPOBA-LLVKDONJSA-N 318.377 -0.267 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]1CNC(=O)CCCS(C)(=O)=O 1453204193 PCRDTEKDSAWPRT-WDEREUQCSA-N 315.395 -0.312 30 20 DBED CN(CCNC(=O)C1=COCCO1)C(=O)c1c[nH]c(C#N)c1 1455147744 QDOZYMLUMWASFA-UHFFFAOYSA-N 304.306 -0.037 30 20 DBED C[C@@H](C#N)C(=O)NCC1CN(C(=O)CCN2CCCC2=O)C1 1456584844 LXKRZSCRQNJDEP-NSHDSACASA-N 306.366 -0.267 30 20 DBED CCN(C(=O)CCNC(N)=O)[C@H]1CCN(C(=O)[C@@H](C)C#N)C1 1456652662 AVZBYQDSTQZDRP-QWRGUYRKSA-N 309.370 -0.346 30 20 DBED N#Cc1cn(CCNC(=O)c2cnc3ccccn23)c(=O)nc1O 1470361288 QPYCPGZAXVKFAS-UHFFFAOYSA-N 324.300 -0.102 30 20 DBED CN(CCNC(=O)c1cc(C#N)c[nH]1)C(=O)[C@H]1CCC(=O)NC1 1495935220 HMMIPSJWNDKSBA-NSHDSACASA-N 317.349 -0.399 30 20 DBED CC[C@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)CNC(C)=O 1498997583 OCYFHIWYUKOCAU-LLVKDONJSA-N 305.338 -0.353 30 20 DBED CNC(=O)NCC(=O)NC[C@@H]1CCCCCN1C(=O)[C@H](C)C#N 1509356096 IIGOYCNDZMQWKH-NEPJUHHUSA-N 323.397 -0.038 30 20 DBED C#CCO[C@@H](C)C(=O)NC1(CNC(=O)CNC(=O)O)CCC1 1573311803 YUFGYRRUBKRIOD-JTQLQIEISA-N 311.338 -0.553 30 20 DBED N#C[C@@H]1CNCC12CC(C(=O)N1CC(N3CC[C@@H](O)C3)C1)C2 1580041835 IMTRNEOAXCUXFT-ZWLBXZKKSA-N 304.394 -0.597 30 20 DBED Cn1c(O)nc(NCC2(C#N)CCC2)c(-c2nn[nH]n2)c1=O 1581747558 DMLWFQDIGXVOQM-UHFFFAOYSA-N 302.298 -0.228 30 20 DBED C=CCOC[C@@H](NS(=O)(=O)C[C@H](C)C(=O)O)C(=O)OC 1588867191 VWJQBVNXGKJZMP-DTWKUNHWSA-N 309.340 -0.629 30 20 DBED C=CCOc1cccnc1C(=O)NS(=O)(=O)CC(=O)O 1588877370 KHJZUEAOWMXKLS-UHFFFAOYSA-N 300.292 -0.209 30 20 DBED N#Cc1nc(NC2CC(CO)(CO)C2)cnc1-c1nn[nH]n1 1592708155 WTDOZJQJLHEVDM-UHFFFAOYSA-N 302.298 -0.926 30 20 DBED COC[C@]1(C(=O)O)CN(C(=O)Nc2nn(C)cc2C#N)CCO1 1593978957 XOZWQVVUHLZPQO-ZDUSSCGKSA-N 323.309 -0.374 30 20 DBED CCN(CCC#N)C(=O)CN1CC[C@@H](n2cc(C(=O)O)nn2)C1 1596299506 LIHJOFYIYZCBDA-LLVKDONJSA-N 320.353 -0.015 30 20 DBED C#CC[C@H](NC(=O)[C@@H](C)S(=O)(=O)C1CCOCC1)C(=O)O 1602685347 RUXQTJNTPITEAW-KOLCDFICSA-N 317.363 -0.439 30 20 DBED CN(C)CC#CCNC(=O)N1C[C@H]2COCC[C@@]2(C(=O)O)C1 1606016142 BKFLFVCNBCVYMY-SWLSCSKDSA-N 309.366 -0.316 30 20 DBED C#CC[C@H](NC(=O)CN1C(=O)c2ccccc2C1=O)C(=O)O 1609078679 BVMKECKIQOXMFK-NSHDSACASA-N 300.270 -0.125 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H]2CC[C@H](C1)N2C(=O)CCN(C)C 1752542184 HPPRVPVPVXVKRN-KFWWJZLASA-N 320.437 -0.249 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@H](NC(=O)C[C@@H](C)n2cccn2)C1 1752674156 MDHVOCLCCWCSAW-MGPQQGTHSA-N 317.393 -0.180 30 20 DBED N#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@@H]3CC[C@@H](F)C3)[C@H]2C1 1752845646 ZQKQUUIYPZOJML-SSKLVLDBSA-N 308.357 -0.189 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@H](CNC(=O)Cn2ccnc2)C1 1753141499 YUNUHUDSOVHBOE-UONOGXRCSA-N 317.393 -0.541 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CN([C@H](C)C(=O)NC(N)=O)C1 1753389045 YDMHMSAWTMJWQA-USWWRNFRSA-N 324.381 -0.649 30 20 DBED CC#CCN[C@@H](CC)CNC(=O)CCS(=O)(=O)N(C)C 1753496826 IMFDTGQBSBNYCC-LBPRGKRZSA-N 303.428 -0.224 30 20 DBED C#CCNC(=O)[C@H](C)N(C)CCN(C)C(=O)Cc1ccn(C)n1 1753853013 IJOWGQCUKPMOEX-ZDUSSCGKSA-N 319.409 -0.509 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@H](O)CNCc1cnc(C)nc1 1753910431 WSUIRBJZAJWMCJ-DZGCQCFKSA-N 308.382 -0.321 30 20 DBED COCC#CCNC[C@H](O)CNC(=O)c1c(C2CC2)cnn1C 1753912524 NFGGTNKMLPFXCE-ZDUSSCGKSA-N 320.393 -0.372 30 20 DBED C#CCNC(=O)[C@H](C)NC/C=C\CNC(=O)Cc1cc(C)on1 1754102258 BMIIEGWEZDTJMN-SZZPACECSA-N 318.377 -0.075 30 20 DBED C[C@@H](CNCC(=O)NCC#N)NC(=O)c1nc[nH]c2nccc1-2 1754274461 LQQLRZNXKYOOCU-VIFPVBQESA-N 315.337 -0.743 30 20 DBED C=C[C@](C)(O)CC(=O)N(C)C1CN(CC(=O)NCC2CC2)C1 1754574188 KOHGPNJNSSUABJ-INIZCTEOSA-N 309.410 -0.018 30 20 DBED C#CCN(C(=O)c1cnn[nH]1)C1CCN([C@@H](C)C(N)=O)CC1 1754637894 CDNLFWPQGZZGEK-JTQLQIEISA-N 304.354 -0.782 30 20 DBED C#CCNC(=O)CN1CC[C@](C)(NC(=O)c2cnns2)C1 1754666903 IAMUMCQYXPWSNK-ZDUSSCGKSA-N 307.379 -0.518 30 20 DBED C[C@]1(CNCC(=O)NCC#N)CCN(C(=O)[C@H]2CCCO2)C1 1754686597 GOEYDHKQGCELPT-IUODEOHRSA-N 308.382 -0.367 30 20 DBED C=CCCCN1CC[C@@](O)(CNC(=O)C[C@H]2CC(=O)NC2=O)C1 1754763869 HTQGOQNBXWJSTR-BLLLJJGKSA-N 323.393 -0.442 30 20 DBED C=CCCn1cc(C(=O)N2CCO[C@H](CNCCCO)C2)nn1 1755012226 HOXRWNFFEQOJAS-CYBMUJFWSA-N 323.397 -0.333 30 20 DBED C#CCCN[C@@]1(CO)CCCN(C(=O)CCc2cn(C)nn2)C1 1755092813 ULVQALVDMUZWGD-INIZCTEOSA-N 319.409 -0.286 30 20 DBED CN(CC#N)C[C@H]1CCCN1C(=O)CN(C)S(C)(=O)=O 1755194994 HCANJFWIYCFKNH-LLVKDONJSA-N 302.400 -0.676 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H](CO)CNC(=O)c1ccccc1 1755620738 BNXLQMKDIHDZTA-GXTWGEPZSA-N 303.362 -0.495 30 20 DBED CC[C@H](C)OCC(=O)N1C[C@H](O)[C@H](NC(=O)C#CC2CC2)C1 1757171323 OGZCPXCTNOZEBB-YUTCNCBUSA-N 308.378 -0.097 30 20 DBED CCn1cc(C(=O)N2C[C@H](O)[C@H](NC(=O)C#CC3CC3)C2)nn1 1757171970 PEFWOSLTOIUFGJ-YPMHNXCESA-N 317.349 -0.987 30 20 DBED Cn1cc(N2CC[C@H](NC(=O)C3(C#N)CCOCC3)C2=O)cn1 1771607882 NSKUJCQAMBMUEO-LBPRGKRZSA-N 317.349 -0.038 30 20 DBED C=CCC(=O)N1CC[C@@]2(C1)CN(C(=O)CC(=O)NC)CCO2 1783915868 SCSAGGTVFBKXLG-OAHLLOKOSA-N 309.366 -0.472 30 20 DBED C=CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](N)CN)CC2 1826055254 CHGUJUZBVQUVQV-BDAKNGLRSA-N 323.422 -0.083 30 20 DBED C=CCNC(=O)[C@@H](C)OC(=O)c1cc(S(N)(=O)=O)cn1C 26269887 BLCIADFAENKSGO-MRVPVSSYSA-N 315.351 -0.480 30 20 DBED CS(=O)(=O)N1CC[C@H](C/N=C(\N)NC[C@H]2CCCO2)C1 261673386 CCXADEYKHIQHIW-GHMZBOCLSA-N 304.416 -0.649 30 20 DBED Cn1cnc(S(=O)(=O)NCC(=O)N(CCC#N)CCC#N)c1 268071385 CNSXSNFEAFDWLQ-UHFFFAOYSA-N 324.366 -0.646 30 20 DBED C=CCCOCCNC(=O)C(=O)N1CCCN(C(C)=O)CC1 289456834 UOEOEUAXXTUPFF-UHFFFAOYSA-N 311.382 -0.224 30 20 DBED CO[C@H]1CN(C(=O)C(=O)Nc2ccc(C#N)cn2)C[C@H]1OC 294404906 SSKPCJUFDDENPT-PHIMTYICSA-N 304.306 -0.236 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@H](C)OC[C@H]2C)C1=O 299560558 SDEHSCKAQSTEEM-ZJUUUORDSA-N 309.322 -0.401 30 20 DBED CN(C)S(=O)(=O)CCNS(=O)(=O)c1cncc(C#N)c1 312727555 SELZRVIXPNSFEJ-UHFFFAOYSA-N 318.380 -0.877 30 20 DBED CS(=O)(=O)N1CCC[C@H](N/C(O)=N/CCN2CCC2)C1 328657001 OIICVUILXPRCTM-NSHDSACASA-N 304.416 -0.380 30 20 DBED Cn1nnnc1C/N=C(/O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O 330077005 HFMCAHACAWQXEU-RKDXNWHRSA-N 306.326 -0.158 30 20 DBED C/N=C(/O)NC(=O)CN1CCN(c2ccc(C(N)=O)cc2)CC1 330850657 ZYCUYIWQLAAVKY-UHFFFAOYSA-N 319.365 -0.433 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCS(=O)(=O)C[C@H](C)C1 332061436 YVDGDCAXJQELNB-WDEREUQCSA-N 323.440 -0.311 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H]1CCCC[C@H]1C(N)=O 336936459 GCPAJRIJYFHNJF-GMTAPVOTSA-N 302.400 -0.044 30 20 DBED N#Cc1cccnc1N1CCN(S(=O)(=O)c2nc[nH]n2)CC1 344550858 YAUNTBRWLBKWIK-UHFFFAOYSA-N 319.350 -0.418 30 20 DBED C=CCNC(=O)CNS(=O)(=O)c1cnn([C@H]2CCOC2)c1 346567584 RCHBYXKQWLGNRL-JTQLQIEISA-N 314.367 -0.575 30 20 DBED COC(=O)CN(CC#N)C(=O)Cn1c(=O)cnc2ccccc21 348803336 WOIXGYVRIHIKPO-UHFFFAOYSA-N 314.301 -0.078 30 20 DBED C=C[C@H](CO)NC(=O)[C@H](CC)N=c1nn[nH]n1-c1ccccc1 356827639 DFIAUMFLUPSNAT-YPMHNXCESA-N 316.365 -0.062 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(C)(CO)CC2)C1=O 358000741 GYKVEEGRIIVVOC-UHFFFAOYSA-N 323.349 -0.416 30 20 DBED N#CCNC(=O)CNC(=O)N1CCN(c2ccccc2O)CC1 358269092 CVLBVQKMRFIQBE-UHFFFAOYSA-N 317.349 -0.136 30 20 DBED C=CCOC[C@H](NS(=O)(=O)C[C@@H]1CCCO1)C(=O)OC 360613428 ONVVRWZDXUGAOB-QWRGUYRKSA-N 307.368 -0.171 30 20 DBED CNC(=O)N[C@@H]1CCN(S(=O)(=O)c2cnc(C)c(C#N)c2)C1 489634307 DBIWDPOJWAUPCG-LLVKDONJSA-N 323.378 -0.046 30 20 DBED C#CCNC(=O)CN1CCCN(c2nccn(C)c2=O)CC1 490674224 AFENHZCQHQZZCD-UHFFFAOYSA-N 303.366 -0.958 30 20 DBED CC(C)(C)OC(=O)NCC(=O)NCC(=O)N(CC#N)CC#N 494095361 USVGIJHYRYMVMD-UHFFFAOYSA-N 309.326 -0.497 30 20 DBED CNS(=O)(=O)[C@@H]1CCN([C@H](C)C(=O)NC2(C#N)CCC2)C1 527048378 WQPFJKJVHGOBQM-GHMZBOCLSA-N 314.411 -0.439 30 20 DBED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(C#N)cc1OC 545294090 TXSIQDROISLWQB-UHFFFAOYSA-N 316.317 -0.076 30 20 DBED CC(C)CN1C[C@@H](C(=O)NCCn2cnc(C#N)n2)CC1=O 553205393 GPFLCIMWGZQQMO-NSHDSACASA-N 304.354 -0.230 30 20 DBED C=C(C)CS(=O)(=O)N1CC[C@H](N2C[C@@H](C(=O)O)CC2=O)C1 567903112 JALYULHOVFHMKA-QWRGUYRKSA-N 316.379 -0.100 30 20 DBED N#CCNS(=O)(=O)CCCS(=O)(=O)N[C@@]12CCC[C@@H]1C2 595962485 BMPNYNZQJBXEKT-GHMZBOCLSA-N 321.424 -0.319 30 20 DBED CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)Nc1cccc(C#N)n1 596936298 XVGQVFZPXBYMDR-NXEZZACHSA-N 310.335 -0.113 30 20 DBED Cn1cc(N2C[C@H](C(=O)N3CC[C@@](O)(CC#N)C3)CC2=O)cn1 600061172 APOKYCVLVJBMAF-ABAIWWIYSA-N 317.349 -0.350 30 20 DBED C[C@@H](O)[C@H]1CCCN(C(=O)C(=O)N2CCN(CCC#N)CC2)C1 601436706 KBDIFRHKNHAVIB-KGLIPLIRSA-N 322.409 -0.336 30 20 DBED C=C[C@@H](O)C(=O)N1CCOC[C@@H]1c1noc(-c2cnn(C)c2)n1 613368274 UZEYKFVZGMMPEK-GHMZBOCLSA-N 319.321 -0.083 30 20 DBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CC(NS(C)(=O)=O)C1 637117273 NWEGLYWTOHICIS-JQWIXIFHSA-N 317.411 -0.089 30 20 DBED CC#CC[C@H](CO)NS(=O)(=O)c1cc(C(=O)NC)n(C)c1 645882769 ZIKCWCSZNZHYTB-SNVBAGLBSA-N 313.379 -0.563 30 20 DBED C#CCOC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 734037724 AWDVPWSRWNCIAH-JTQLQIEISA-N 322.342 -0.137 30 20 DBED Cn1cc(C=NNc2ncccc2[N+](=O)[O-])c(=O)n(C)c1=O 759202331 DYSKHFHPHVKLRY-UHFFFAOYSA-N 304.266 -0.167 30 20 DBED COC(=O)c1cc(C(=O)OCCn2ncc(C#N)c2N)on1 781454131 ODJLMCLHOORLJA-UHFFFAOYSA-N 305.250 -0.031 30 20 DBED CC#CCS(=O)(=O)NC(=O)CCn1cc([N+](=O)[O-])nc1C 810772768 DUYYHYAAFGFZRF-UHFFFAOYSA-N 314.323 -0.041 30 20 DBED CCN(CCC#N)S(=O)(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)OC 813741698 KIVVGXZJSQYOSQ-URLYPYJESA-N 301.368 -0.182 30 20 DBED O=C(N[C@H]1CCCN(O)C1=O)[C@@H]1COCCN1CC(F)F 816758989 BVJXNCOLHQEZKT-IUCAKERBSA-N 307.297 -0.551 30 20 DBED C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)NC(C)(CO)CO 821571657 ZEPHCGANGRZNBK-SNVBAGLBSA-N 321.333 -0.225 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CO[C@H](C)C2)CC1 831568267 CVLBUMMASKIFIH-NEPJUHHUSA-N 315.395 -0.977 30 20 DBED CCOC(=O)c1cc(C=NN[C@@H]2CCS(=O)(=O)C2)[nH]n1 842522467 KKXSFGTXIFIHHD-MRVPVSSYSA-N 300.340 -0.303 30 20 DBED CN(CC#N)S(=O)(=O)CCCS(=O)(=O)N[C@H]1C=CCC1 852904526 LNDOTCUQJFYFNN-NSHDSACASA-N 321.424 -0.200 30 20 DBED C#CCN1CCC[C@H](NC(=O)NC[C@@H]2CN(C)CCN2C)C1 884141089 OTYIPQSCEMZAFY-LSDHHAIUSA-N 307.442 -0.371 30 20 DBED C#CCCCNC(=O)N1CCN(S(=O)(=O)NCC#C)CC1 893303499 QHWMOICHFJXKCO-UHFFFAOYSA-N 312.395 -0.805 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)c3cnn[nH]3)C2)nc1 938238945 YIWRLTWOMBCEOI-NSHDSACASA-N 310.317 -0.175 30 20 DBED Cc1nn[nH]c1C(=O)N[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 941973807 QEAKWPMWGDBICL-SNVBAGLBSA-N 313.321 -0.043 30 20 DBED CN1CCO[C@H](C(=O)NC[C@H]2CCCN2C(=O)C#CC2CC2)C1 944008092 VVYMBFAVFIRIOC-CABCVRRESA-N 319.405 -0.162 30 20 DBED O=C(NC[C@H]1CN(C(=O)C#CC2CC2)CCO1)[C@@H]1CCOC1 944506234 DKDDLQJFXDVPLI-KGLIPLIRSA-N 306.362 -0.220 30 20 DBED C=CCCN1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)[C@H](C)C1 945179405 IJPABYAXXYMCHJ-NEPJUHHUSA-N 320.397 -0.220 30 20 DBED C[C@H]1CCCN(C(=O)C(N)=O)[C@H]1CNC(=O)c1c[nH]c(C#N)c1 945804250 YGCNNKZMSGIGCM-CABZTGNLSA-N 317.349 -0.271 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2nnc(O)nc2O)C[C@H]1C 947502022 IHMRYBZHXTVLOA-NXEZZACHSA-N 305.338 -0.111 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CNC(=O)c2nnn(C)n2)CC1 949393995 JPJSISKMMFIDOO-SECBINFHSA-N 305.342 -0.662 30 20 DBED CN(C(=O)CC1CS(=O)(=O)C1)C1CN(C(=O)C#CC2CC2)C1 954677278 JVIHMLUZTVAJNW-UHFFFAOYSA-N 324.402 -0.496 30 20 DBED CN(C(=O)C[C@H]1CC(=O)NC1=O)C1CN(C(=O)C#CC2CC2)C1 954741389 DXDOFDOTDOMRSQ-LLVKDONJSA-N 317.345 -0.878 30 20 DBED C[C@@H]1CCN(C(=O)C(=O)N(C)C2CN(C(=O)[C@H](C)C#N)C2)C1 955382213 AVAIBZCNQIDGOE-GHMZBOCLSA-N 306.366 -0.316 30 20 DBED C=CCCN1C[C@@H](O)[C@H](CNC(=O)c2cn(CCOC)nn2)C1 958061423 BHBCLFWYDVMSNS-TZMCWYRMSA-N 323.397 -0.477 30 20 DBED N#CCN1C[C@@H](O)[C@H](CNC(=O)c2cnc3nccnc3c2)C1 958140045 PZWQCTUFWCIJGC-DGCLKSJQSA-N 312.333 -0.429 30 20 DBED C#CCN1C[C@H](CNC(=O)C23CCCN(CCC2)C3)[C@@H](O)C1 958171501 JREDDMNQPMTYJL-GJZGRUSLSA-N 305.422 -0.096 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2nc(C)c(C)nc2O)C1 958179501 NVLJUFOCJOSDMJ-VXGBXAGGSA-N 304.350 -0.545 30 20 DBED Cn1cnc2ccc(C(=O)NC[C@@H]3CN(CC#N)C[C@H]3O)nc21 958403438 FJOVZRRKILCXCG-ZWNOBZJWSA-N 314.349 -0.486 30 20 DBED Cc1c(Cl)c(C(=O)NC[C@H]2CN(CC#N)C[C@H]2O)nn1C 958438843 OMOGWKYGULRIHU-VHSXEESVSA-N 311.773 -0.072 30 20 DBED N#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cnc3cccnn23)C1 958468121 SBCBDKKIGABBDM-CMPLNLGQSA-N 300.322 -0.725 30 20 DBED C=CCN1C[C@H](CNC(=O)c2nc(O)nc(O)c2OC)[C@@H](O)C1 958581828 UCMBHGCNSKYUGT-IUCAKERBSA-N 324.337 -0.895 30 20 DBED CS(=O)(=O)CCN1C[C@@H]2C(NC(=O)c3ccc(C#N)[nH]3)[C@H]2C1 958601791 LELWVTAXXDRRCP-QWRGUYRKSA-N 322.390 -0.409 30 20 DBED C=CCCN1C[C@H]2C(NC(=O)Cn3ccc(=O)n(C)c3=O)[C@@H]2C1 960177009 UCBVHPSPJKQIGM-VXGBXAGGSA-N 318.377 -0.831 30 20 DBED CC#CCN1C[C@H]2C(NC(=O)[C@H]3CCc4nnnn4CC3)[C@@H]2C1 961846580 MPLCQZCPMDDWBV-YNEHKIRRSA-N 314.393 -0.305 30 20 DBED C[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)Cn1cnnc1O 966397704 IGNHLDWWCFAGJA-CMPLNLGQSA-N 317.349 -0.640 30 20 DBED CCN(C(=O)[C@@H]1CCC(=O)NC1)C1CN(C(=O)[C@H](C)C#N)C1 968134458 YXQIWDBGGHUATJ-GHMZBOCLSA-N 306.366 -0.268 30 20 DBED Cc1nn(CC(=O)N[C@H]2CN(CC#N)CC[C@H]2C)c(=O)n1C 968597235 USBOYQCUKNBAQX-PWSUYJOCSA-N 306.370 -0.760 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CCC(=O)N1C 969688059 NYIGYTGFLNSDIO-WUHRBBMRSA-N 318.377 -0.031 30 20 DBED C#CCN(C)[C@@H]1CCN(C(=O)CN2C(=O)CC(C)(C)C2=O)C1 971544407 AWGIJCZZPDYJCX-GFCCVEGCSA-N 305.378 -0.063 30 20 DBED C#CCN1C[C@H]2CC[C@H]1CN2C(=O)CCc1nnc(O)nc1O 971557223 SYNVTWJKDKFPDD-WDEREUQCSA-N 317.349 -0.476 30 20 DBED CCN1CCOC[C@@H]1C(=O)N[C@H]1[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]21 976779662 DIAKGMNPWXLDRO-ODXJTPSBSA-N 320.393 -0.560 30 20 DBED C[C@@H](C#N)C(=O)N1CC(N2C[C@@H](NC(=O)C3CC3)CC2=O)C1 995467390 YBQMARHYQIECLR-ONGXEEELSA-N 304.350 -0.516 30 20 DBED C#CCNC1CC(N(C)C(=O)Cn2nc3n(c2=O)CCCC3)C1 999658692 RTISKIBVADQAFP-UHFFFAOYSA-N 317.393 -0.407 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1 999797024 AFMWWEZXSUZFCG-WCQGTBRESA-N 322.365 -0.891 30 20 DBED C=CCCN1CCC(NC(=O)CN2C(=O)C(=O)N(C)C2=O)CC1 1003726044 KAIJPKSXBFBEKQ-UHFFFAOYSA-N 322.365 -0.436 30 20 DBED CC1(C)CN(C(=O)CC(N)=O)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 1008047467 AGDZCRGUIDXZJN-LLVKDONJSA-N 317.349 -0.271 30 20 DBED C#CCN1CC[C@@H](NC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1 1015696420 AAXFIJTYPBBXMH-QLFBSQMISA-N 319.405 -0.020 30 20 DBED C#CCN1CCC2(CC1)C[C@@H]2NC(=O)[C@@H]1CN(C(C)=O)CCO1 1016952897 ILIVCVXOIDYNSN-GJZGRUSLSA-N 319.405 -0.162 30 20 DBED C=CCn1cc(C(=O)N2C[C@@H]3CCN(C(=O)COC)[C@@H]3C2)nn1 1020931107 SQWTXYUCVIDWMF-WCQYABFASA-N 319.365 -0.217 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)[C@H]2C[C@@H]2C)C[C@H]1O 1024358313 HZNUNKFDJYQQGR-SBJFKYEJSA-N 319.405 -0.572 30 20 DBED Cn1cc(C(=O)N2C[C@@H]3CC[C@H](NCC#N)[C@H]3C2)ncc1=O 1026316731 HXDSQWAVLNIPDW-SRVKXCTJSA-N 301.350 -0.256 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2CCN([C@@H](C)C(N)=O)C2)cn1 1028938475 QARBVZAWEVLWBB-RYUDHWBXSA-N 300.362 -0.012 30 20 DBED C=CCN1[C@H]2CC[C@H]1CN(C(=O)CC[C@@H]1NC(=O)NC1=O)C2 1029577325 NGAJWLUZDMRUOL-SRVKXCTJSA-N 306.366 -0.164 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)c3nc(C)c[nH]3)C2)C1=O 1031078702 SPONDJPBPNPMRR-GFCCVEGCSA-N 303.366 -0.081 30 20 DBED N#Cc1ccc(C(=O)NCC2CN([C@@H]3CCC(=O)NC3=O)C2)[nH]1 1031620389 IHAFAFJHPWNYLK-GFCCVEGCSA-N 315.333 -0.647 30 20 DBED C#CCCN1CCO[C@@H](CNC(=O)[C@@H]2CC(=O)N(CC)C2)C1 1035391838 QEEMQOAYNVIECJ-KGLIPLIRSA-N 307.394 -0.305 30 20 DBED N#CCN1CCO[C@@H](CNC(=O)[C@@H]2CCc3nncn3CC2)C1 1035446513 LNJRVHFJVHDWSW-OLZOCXBDSA-N 318.381 -0.429 30 20 DBED C#CCN[C@H]1CCN(C(=O)c2cn(CCOC)nn2)C[C@H]1C 1036024656 XQQBCRXTPLMMCO-OLZOCXBDSA-N 305.382 -0.002 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)c3cc(=O)n(C)cn3)CC[C@H]21 1036740286 PIGAEUBIVFGFOB-TZMCWYRMSA-N 300.362 -0.050 30 20 DBED CC1(C)NC(=O)N(CC(=O)N[C@H]2[C@H]3C[C@H]2N(CC#N)C3)C1=O 1037700721 FNSGCQCXNBDAHK-NGZCFLSTSA-N 305.338 -0.971 30 20 DBED C#CCN[C@H]1CCN(C(=O)Cn2ccc(O)nc2=O)C[C@H]1CC 1037879264 YFDOERJMNYPMJV-OLZOCXBDSA-N 318.377 -0.201 30 20 DBED C#CCCN1CC[C@@H]1CNC(=O)c1ccc(=O)n(CCOC)n1 1038478936 YAKTWHZDDVRRTN-CYBMUJFWSA-N 318.377 -0.283 30 20 DBED C=CCCC(=O)N1CC[C@@](O)(CNC(=O)[C@H]2CCCC(=O)N2)C1 1040138630 XZONLOPWXBPTGV-MLGOLLRUSA-N 323.393 -0.299 30 20 DBED CC(C)C#CC(=O)N1CC[C@@](O)(CNC(=O)c2cnn[nH]2)C1 1040265505 NDZDVNLVZKEZBI-CQSZACIVSA-N 305.338 -0.843 30 20 DBED Cc1n[nH]c(C)c1C(=O)N1CC[C@](O)(CNC(=O)[C@H](C)C#N)C1 1040758865 CEDBGVPYDSJMKJ-PSLIRLAXSA-N 319.365 -0.121 30 20 DBED N#CCN1CC[C@@]2(CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)C1 1041676108 VATQOJGDNLNCOO-YWPYICTPSA-N 306.366 -0.533 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)[C@@H](C)n2cncn2)C1 1042643997 GCVHNLMQLRREQC-GFCCVEGCSA-N 319.365 -0.668 30 20 DBED N#Cc1cc(C(=O)NCC2(O)CN(C(=O)c3cocn3)C2)c[nH]1 1042669841 XWTXMHQCWWKGRV-UHFFFAOYSA-N 315.289 -0.509 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)C[C@@](C)(O)C=C)C1 1042812450 OMROINNSVQGDTC-DOMZBBRYSA-N 324.377 -0.959 30 20 DBED Cc1cc2[nH]c(=O)c(C(=O)N(C)C3CN(CC#N)C3)cn2n1 1044049479 WLRLBZZQMHXSSY-UHFFFAOYSA-N 300.322 -0.389 30 20 DBED C=CCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCNC2=O)C1 1044442677 IRPOEBCWQHVAAD-LLVKDONJSA-N 309.366 -0.832 30 20 DBED C=C(C)C[C@@H](C)C(=O)NCC1(O)CN(C(=O)C2(C(N)=O)CC2)C1 1045059160 NAVLDHCKPOYHIT-LLVKDONJSA-N 323.393 -0.456 30 20 DBED CN1CC[C@H](C(=O)NC2(C)CCN(CC#N)CC2)S1(=O)=O 1045586749 SMFTUXVDUFQCMB-LLVKDONJSA-N 314.411 -0.485 30 20 DBED N#CCN1CC[C@H](N2CCN(C(=O)[C@@H]3CCCNC3=O)CC2)C1 1046037722 WWTATDZSZPQOQR-UONOGXRCSA-N 319.409 -0.745 30 20 DBED C[C@@H]1CCCN1CC(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1046664211 GBZNJUCSUPURHG-CYBMUJFWSA-N 319.405 -0.426 30 20 DBED C=C(C)C[C@H](C)C(=O)N1CC(O)(CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 1046736825 IPJRCNLHDFKXCB-TUAOUCFPSA-N 323.393 -0.600 30 20 DBED CC[C@H](NC(C)=O)C(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1047081164 UVNDLSAOKFFZFH-ZDUSSCGKSA-N 321.377 -0.996 30 20 DBED C=C(C)CCN1C[C@H](O)[C@@H](N(C)C(=O)C2CS(=O)(=O)C2)C1 1047394060 INPYOVNSLSCXPD-STQMWFEESA-N 316.423 -0.499 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC(=O)N(CC)C2)C1 1047401206 HZTFWOHYASNMTE-RDBSUJKOSA-N 307.394 -0.618 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC(=O)N(CCC)C2)C1 1047547777 AZYCTFOCKBBIAU-ILXRZTDVSA-N 321.421 -0.228 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cnc(O)n2C)C1 1049159239 HNVULYKJEHGTGA-RYUDHWBXSA-N 322.365 -0.264 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)c2cccnn2)C[C@@H]1O 1049394310 IYNWUPKYHPCQCG-USWWRNFRSA-N 303.322 -0.720 30 20 DBED CCCn1nnnc1CNC[C@@H]1CN(C(=O)[C@@H](C)C#N)CCO1 1051495663 WGXCOZIQGHHGPL-NWDGAFQWSA-N 321.385 -0.440 30 20 DBED Cc1nnc(CC(=O)N2CC[C@@H](N3CCN(CC#N)CC3)C2)o1 1052023016 PSISHUPAALCHMR-CYBMUJFWSA-N 318.381 -0.337 30 20 DBED CC(=O)NCC(=O)NC[C@H]1CN(C(=O)C#CC(C)C)C[C@@H]1C 1052529848 NMOKZFZCUSJALY-JSGCOSHPSA-N 307.394 -0.007 30 20 DBED C=CCN1CC2(C[C@H](NC(=O)c3cn(CCOC)nn3)CO2)C1 1053796183 DFNYDXUXKZOWIM-LBPRGKRZSA-N 321.381 -0.316 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)CN3CCCNC3=O)CO2)C1 1053857839 PVFOKTQWOBXJMW-ZDUSSCGKSA-N 320.393 -0.616 30 20 DBED C=CCN1CC2(C[C@H](NC(=O)[C@@H]3CCCS3(=O)=O)CO2)C1 1054013162 PJIQUDDTANPHGB-RYUDHWBXSA-N 314.407 -0.291 30 20 DBED N#Cc1cnc(N2CCN(C(=O)[C@H]3CCNC3=O)CC2)c(F)c1 1055973914 LGSXPDAKZFWWKJ-NSHDSACASA-N 317.324 -0.123 30 20 DBED C[C@@H](C(=O)N1CCN(c2nccnc2C#N)CC1)S(C)(=O)=O 1056072397 WWCJNEKPTNVXTL-JTQLQIEISA-N 323.378 -0.570 30 20 DBED C[C@@H](C#N)C(=O)N[C@@]1(CO)CCCN(C(=O)c2cc[nH]n2)C1 1056092914 FNGNRCCILQKUOW-HZMBPMFUSA-N 305.338 -0.347 30 20 DBED N#Cc1cncc(N2C[C@H]3C(NC(=O)[C@@H]4COCCO4)[C@@H]3C2)n1 1056134203 GUKMTUOSNFBXIR-UTUOFQBUSA-N 315.333 -0.686 30 20 DBED N#Cc1nccc(N2C[C@@H]3C(NC(=O)Cc4nc[nH]n4)[C@H]3C2)n1 1056298010 SAXXPGNWBMKVEB-IUCAKERBSA-N 310.321 -0.740 30 20 DBED CC(C)C#CC(=O)N1C[C@@H]2CCCN(C(=O)CC(N)=O)[C@@H]2C1 1056634969 WEKOBUOVNVXFBC-QWHCGFSZSA-N 305.378 -0.029 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCN(CCO)C(=O)C(C)(C)F 1056776598 OVXSRDUUIMASBO-CQSZACIVSA-N 304.362 -0.001 30 20 DBED C=CCCO[C@@H](C)C(=O)N(CCO)CCNC(=O)[C@H](C)OC 1057143862 DIYXHNIVXNIQGN-STQMWFEESA-N 316.398 -0.060 30 20 DBED Cc1c(C(=O)N[C@H]2CCN(c3cnc(C#N)cn3)C2)nnn1C 1058334321 KIAPZPGNJVENII-JTQLQIEISA-N 312.337 -0.206 30 20 DBED N#Cc1nc(=N[C@H]2C[C@H](NC(=O)C[C@@H]3CCC(=O)N3)C2)cc[nH]1 1059256225 YEMRUUHYSITZOD-DCAQKATOSA-N 314.349 -0.502 30 20 DBED C#CCOCCC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1CCCO1 1061247173 BWUYEKHZUUOUAP-KBPBESRZSA-N 324.377 -0.451 30 20 DBED C#CCOCCC(=O)NC[C@@H]1COCCN1C(=O)CSC 1061581674 SDBTWAFXPYAUKR-GFCCVEGCSA-N 314.407 -0.267 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)C1=CCOCC1 1061848746 UTUJAMCLHRRIFT-DGCLKSJQSA-N 307.350 -0.164 30 20 DBED C=CCOCC(=O)N1CCCC[C@@H]1CNC(=O)[C@H]1CCC(=O)N1 1062067875 FKQIZDTZLGBDOZ-CHWSQXEVSA-N 323.393 -0.035 30 20 DBED Cn1nncc1C(=O)N1CCC[C@@H]1CN=c1cc[nH]c(C#N)n1 1063478601 FMMGDFFMMTVZQV-SNVBAGLBSA-N 312.337 -0.385 30 20 DBED C[C@H](N=c1cc[nH]c(C#N)n1)[C@@H]1CCCN(C(=O)C(N)=O)C1 1063904417 LAZHFAXSGWKRRS-VHSXEESVSA-N 302.338 -0.706 30 20 DBED N#Cc1cnc(N2[C@H]3CCC[C@H]2CN(C(=O)C(N)=O)C3)cn1 1064535409 TWPUNZPXDFQGNL-QWRGUYRKSA-N 300.322 -0.597 30 20 DBED C=CCOCCCC(=O)N1CCO[C@@H](CNC(=O)COC)C1 1065013766 MLKVKXFKFFFUGW-ZDUSSCGKSA-N 314.382 -0.041 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)C2=CCOCC2)CCO1 1065075960 SXJBCGILVNZGRB-AWEZNQCLSA-N 324.377 -0.121 30 20 DBED C=CCCC(=O)N1CCOC2(C1)CN(C(=O)c1ncn(C)n1)C2 1068346170 JGDXCGZGCJXOSJ-UHFFFAOYSA-N 319.365 -0.165 30 20 DBED C=C(C)CN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 1070027221 SMFCMARZDLTSHL-XQHKEYJVSA-N 318.381 -0.683 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2cnn3cc[nH]c23)C1 1070084659 NRIKTIMTPRZJHY-OLZOCXBDSA-N 324.348 -0.458 30 20 DBED C#CCN1Cc2cnn(C3CCN(C(=O)C(N)=O)CC3)c2C1 1070347645 GUBHRTUPJRUHHF-UHFFFAOYSA-N 301.350 -0.519 30 20 DBED Cn1cncc1[C@@H]1CN(C(=O)[C@@H]2COCCO2)C[C@H]1NCC#N 1070625125 YGZRSPMYJAPLEM-BZPMIXESSA-N 319.365 -0.757 30 20 DBED Cn1cncc1[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1NCC#N 1070684636 SCEJEFNEXNZLOS-GHMZBOCLSA-N 316.365 -0.907 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CCCN(C(=O)[C@H]2CCC(=O)N2C)C1 1071145296 IAKKHMFENWGCMW-QJPTWQEYSA-N 306.366 -0.126 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H](C)[C@@H](NC(=O)COCC=C)C1 1071935726 GGROFYBHEGOVJY-STQMWFEESA-N 321.377 -0.708 30 20 DBED C[C@@H]1CC[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)CN1CC#N 1071991431 FQELXDGNRRYGBU-NXEZZACHSA-N 315.337 -0.476 30 20 DBED CNC(=O)NCCC(=O)N1C[C@H](C)[C@@H](NC(=O)C#CC2CC2)C1 1072022231 XLPBMHIFILNXAF-AAEUAGOBSA-N 320.393 -0.318 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CN(C(=O)c2ncc[nH]2)C[C@H]1C 1072025316 QSTRXSCJZGNOOF-MNOVXSKESA-N 317.349 -0.874 30 20 DBED C#CCCN1CCCO[C@H](CNC(=O)c2cnn(C)c2N)C1 1073582536 NXTAPPMLRMTQRO-GFCCVEGCSA-N 305.382 -0.154 30 20 DBED CC(C)[C@@H](O)C(=O)N1CCC(O)(CNC(=O)[C@@H](C)C#N)CC1 1074571899 SSCXRJFDOOPWIL-NWDGAFQWSA-N 311.382 -0.367 30 20 DBED C#CCC1(C(=O)N[C@@H](C)CCNC(=O)CC(N)=O)CCOCC1 1075991632 MAAPFMWPQRAMSN-LBPRGKRZSA-N 323.393 -0.307 30 20 DBED C[C@@H](CCNC(=O)c1c[nH]c(C#N)c1)NC(=O)c1nnn(C)n1 1076219821 CSBIQWNXAZQOEW-QMMMGPOBSA-N 316.325 -0.652 30 20 DBED C#CCOCCC(=O)N[C@@H](C)CCNC(=O)c1cc(=O)n(C)o1 1076287976 GGCLQINKBMVDLH-NSHDSACASA-N 323.349 -0.357 30 20 DBED C[C@@H](CCNC(=O)c1cncc(C(N)=O)c1)NC(=O)[C@@H](C)C#N 1076616672 OOHNOYKBTZRJLQ-UWVGGRQHSA-N 317.349 -0.035 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN(Cc3nc(O)n[nH]3)C[C@H]2O)C1 1077642138 XROUYHQNHMRCLZ-NXEZZACHSA-N 307.354 -0.472 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)c2ccc(=O)n(C)n2)C1 1078134210 MTQKTJRVINMHQP-CHWSQXEVSA-N 306.366 -0.479 30 20 DBED C=CCOCC(=O)N1CC(N(CC)C(=O)CCn2cnnn2)C1 1080344463 XTNJQJSHRFYJAU-UHFFFAOYSA-N 322.369 -0.675 30 20 DBED C#CCCN1C[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)[C@H](C)C1 1080776810 VVYOQAHUUNAHIR-ZYHUDNBSSA-N 314.349 -0.509 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CO)(NC(=O)[C@H]2CCCN2C)CC1 1080778650 LYVBAUUKYNENEB-QWHCGFSZSA-N 322.409 -0.290 30 20 DBED Cn1nnc(C(=O)N2C[C@@H](NCC#N)[C@H](c3ccccc3)C2)n1 1081164426 BSZQQAWAMRATDX-QWHCGFSZSA-N 311.349 -0.069 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2ncccn2)C[C@H]1O 1081343839 IMJCAJBHFCEDJD-VXGBXAGGSA-N 320.349 -0.772 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2cnco2)C[C@H]1O 1081346937 ORMCIYHCYUSPMA-WDEREUQCSA-N 309.322 -0.574 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2nccnc2N)C1 1081348342 BKBVLJCMSRUACZ-MNOVXSKESA-N 319.365 -0.426 30 20 DBED C#CCCCCC(=O)NC[C@H]1CN(C(=O)CNC(C)=O)C[C@H]1O 1081417733 XTOSOIRRADTORS-UONOGXRCSA-N 323.393 -0.748 30 20 DBED C=C(C)CN1C[C@@H](NC(=O)CN2CCN(C)C(=O)C2)[C@H](OC)C1 1081868625 VGXFSMBTLVMPJC-ZIAGYGMSSA-N 324.425 -0.848 30 20 DBED C=CCCN1C[C@@H](NC(=O)CC2CS(=O)(=O)C2)[C@H](OC)C1 1081872022 NOLCDKJPQSZJKS-CHWSQXEVSA-N 316.423 -0.187 30 20 DBED CC#CCN1C[C@@H](NC(=O)c2cc(C(N)=O)co2)[C@H](OC)C1 1082123757 DIGFUSDOSMZEKB-DGCLKSJQSA-N 305.334 -0.169 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cc2n(n1)CCCO2 1083139476 DHUYDABWFWVIDY-UONOGXRCSA-N 316.361 -0.176 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1083151663 MGYGOPMOVYZXAQ-BTFPBAQTSA-N 321.377 -0.527 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)c2cnc3[nH]nnc3c2)C1 1083528292 JVDJWTQVXPKLNX-NEPJUHHUSA-N 302.338 -0.296 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2cc(O)nc(C3CC3)n2)C1 1083551533 QABFHSURXIWUHX-MNOVXSKESA-N 303.322 -0.642 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCCN2CC(F)(F)F)C1 1084089946 BVXOHQBXGWZYHX-VWYCJHECSA-N 320.315 -0.302 30 20 DBED C#CCCN1CC[C@@H]1CN(C)C(=O)c1cc(=O)n2[nH]cnc2n1 1085924337 TWPFOLJGHRZCLC-LLVKDONJSA-N 314.349 -0.413 30 20 DBED Cn1ncc(C(=O)N[C@H]2CN(CC#N)CC3(CCOCC3)C2)n1 1089962463 ZOWQMQXSQVDKGU-GFCCVEGCSA-N 318.381 -0.060 30 20 DBED N#CCN1C[C@H](NC(=O)[C@@H]2CCC(=O)N2)CC2(CCOCC2)C1 1089964222 LVCAPSOTQCUKBN-OLZOCXBDSA-N 320.393 -0.224 30 20 DBED CS[C@H](C)C(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1O 1090385568 GRUQAKMRNCXJTO-FBIMIBRVSA-N 307.379 -0.235 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)c2cc(C(N)=O)c[nH]2)[C@@H](O)C1 1090675236 HMPZNLAZDKILIR-AAEUAGOBSA-N 306.366 -0.145 30 20 DBED N#Cc1ccc(NC2CC(CNC(=O)Cn3cnnn3)C2)nc1 1092186559 SHRHENIQQMADII-UHFFFAOYSA-N 312.337 -0.053 30 20 DBED CC(C)[C@@H](O)C(=O)NC1[C@H]2CN(c3cnc(C#N)cn3)C[C@H]12 1093260230 IBBMQHQJGNNBFV-COPLHBTASA-N 301.350 -0.084 30 20 DBED CC(C)(C)[C@@H](NC(N)=O)C(=O)NCCN=c1cc[nH]cc1C#N 1093744824 IBXIQUDRQKZUMI-LBPRGKRZSA-N 318.381 -0.014 30 20 DBED COC[C@]1(C(=O)NCCNc2ccc(C#N)nn2)CCOC1 1094009960 KBDFHHZAAODCCF-CQSZACIVSA-N 305.338 -0.071 30 20 DBED Cc1cc(C#N)nc(NCCNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)n1 1094136677 XMHBCRWFZAVFFB-WDEREUQCSA-N 318.337 -0.782 30 20 DBED N#Cc1nc(=NCCNC(=O)c2ccc(C(N)=O)o2)cc[nH]1 1094258960 BMZNSKKVPAMXKN-UHFFFAOYSA-N 300.278 -0.696 30 20 DBED C#CCNC(=O)CC(=O)NCCCNc1cc(C)nc(OC)n1 1094372520 KKJWGAMQFVMPAV-UHFFFAOYSA-N 319.365 -0.149 30 20 DBED Cc1cc(C#N)nc(NCCCNC(=O)[C@@H]2COC(=O)N2)n1 1094387981 LCGGAQVXWLAUDK-JTQLQIEISA-N 304.310 -0.317 30 20 DBED CC#CCN1CC(N2C[C@@H](NC(=O)Cc3cc[nH]n3)CC2=O)C1 1094718073 UVSYCZNBTJEZIK-ZDUSSCGKSA-N 315.377 -0.623 30 20 DBED CNC(=O)CC(=O)N1CCC(N=c2cc[nH]c(C#N)n2)CC1 1095224204 RKASDPMQDVHWLM-UHFFFAOYSA-N 302.338 -0.691 30 20 DBED C#CCNC(=O)CC(=O)NCC1CCN(c2ncccn2)CC1 1095352934 XQWAPXPOOFKKLM-UHFFFAOYSA-N 315.377 -0.051 30 20 DBED C[C@H](NC(N)=O)C(=O)NC1CCN(c2cnc(C#N)cn2)CC1 1095408876 NKBQLCCQHWMSLA-VIFPVBQESA-N 317.353 -0.510 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCCN(C)c1nccn2nnnc12 1095527905 TZNWBRXRJHIHIU-CQSZACIVSA-N 319.369 -0.211 30 20 DBED CCc1nc(C#N)cc(N[C@H]2C[C@@H](NC(=O)CC(N)=O)C2)n1 1097162104 JFPZYNJTXMYSCK-DTORHVGOSA-N 302.338 -0.155 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H](C)Nc1nccnc1C#N 1097768915 VPWDYMDDZWTXNX-SNVBAGLBSA-N 300.322 -0.596 30 20 DBED Cc1cc(=N[C@H](C)CNC(=O)[C@H]2CCNC2=O)c(C#N)c[nH]1 1098211145 GLSXLTDTLAPAIM-PWSUYJOCSA-N 301.350 -0.264 30 20 DBED COC[C@H](C)C(=O)N1CC[C@H](n2cc(CNCC#N)nn2)C1 1098645608 RJYHBWGUEUZBTO-AAEUAGOBSA-N 306.370 -0.053 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)c2cccs2)[C@H](O)C1 1099629824 ICKPSEIPETVKEU-VXGBXAGGSA-N 321.402 -0.338 30 20 DBED CC#CCN1CC[C@H](NC(=O)CCCn2ccnn2)[C@@H](O)C1 1099868734 DOQVKCOLVJKVJR-KBPBESRZSA-N 305.382 -0.367 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1CCN(Cc2nnnn2C)C[C@H]1O 1099945026 TUDPEHZQAWGZRO-GHMZBOCLSA-N 308.386 -0.526 30 20 DBED C=CCCCC(=O)N[C@@H]1CCN(CC(=O)NC(N)=O)C[C@@H]1O 1099973822 JQHAFLARNYIUGD-MNOVXSKESA-N 312.370 -0.911 30 20 DBED C[C@@H]1C[C@@H](C(=O)NCCN(C)c2cncc(C#N)n2)CC(=O)N1 1100211497 PFERDLIYCFTBRA-GHMZBOCLSA-N 316.365 -0.185 30 20 DBED Cc1cc(N(C)CCNC(=O)[C@@H]2CN(C)C(=O)N2)c(C#N)cn1 1100255208 DLIOLRKNOUHVNY-LBPRGKRZSA-N 316.365 -0.162 30 20 DBED CCN(CCNC(=O)[C@@H](C)NC(C)=O)c1cnc(C#N)cn1 1100435063 ZOCGSYKNTPTFQM-SNVBAGLBSA-N 304.354 -0.185 30 20 DBED C#CCNC(=O)CC(=O)NCCN(CC)c1cnc(F)cn1 1100492509 GUBIXRGWRIDHSZ-UHFFFAOYSA-N 307.329 -0.302 30 20 DBED N#Cc1cnc(N2CCC[C@H]2CNC(=O)Cc2nc[nH]n2)cn1 1100860771 LNNSRKAPQMDOPS-NSHDSACASA-N 312.337 -0.206 30 20 DBED C[C@H](CC(N)=O)C(=O)NC[C@@H]1CCN(c2ccnc(C#N)n2)C1 1101036770 SPWFSYOTNAWJDG-MNOVXSKESA-N 316.365 -0.198 30 20 DBED CC[C@H](CNC(=O)Cn1cnnc1O)Nc1cncc(C#N)n1 1103066332 VCXHHGLNEIZOQE-SECBINFHSA-N 316.325 -0.348 30 20 DBED CC[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)Nc1cncc(C#N)n1 1103277916 QVKHBHCEXGPKQY-WPRPVWTQSA-N 303.326 -0.664 30 20 DBED C[C@@H](CNc1cnc(C#N)cn1)N(C)C(=O)[C@@H]1CCC(=O)N1 1104642694 LUJUIJILQUVJMZ-ONGXEEELSA-N 302.338 -0.114 30 20 DBED C=C(C)CNCc1cn(C2CN(C(=O)CC(=O)NCC)C2)nn1 1105219853 UJIBVRLLYYYGDC-UHFFFAOYSA-N 320.397 -0.147 30 20 DBED CN(CCN(C)c1cncc(C#N)n1)C(=O)[C@H]1CCCNC1=O 1105486147 POTGTKUFOZUVQQ-LBPRGKRZSA-N 316.365 -0.231 30 20 DBED N#Cc1cncc(NC[C@H](O)CNC(=O)C2CCOCC2)n1 1105700562 JVJCIMRXSUCMEK-LBPRGKRZSA-N 305.338 -0.336 30 20 DBED CCc1cc(C(=O)NC[C@H](O)CN=c2cc[nH]c(C#N)n2)n[nH]1 1105778204 OLHOCNKAMVPHCC-SNVBAGLBSA-N 315.337 -0.742 30 20 DBED CC[C@H](SC)C(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1 1105822303 NDOWWUXUGFSCRR-UWVGGRQHSA-N 309.395 -0.199 30 20 DBED Cc1nsc(NC[C@@H](O)CNC(=O)c2cnnn2C)c1C#N 1105832504 DSMVJIDWPUEGFA-QMMMGPOBSA-N 321.366 -0.346 30 20 DBED CN1CCC(C(=O)NC[C@@H](O)CNc2nccnc2C#N)CC1 1105882933 NPSPYOXABUNFOM-LBPRGKRZSA-N 318.381 -0.421 30 20 DBED N#Cc1c(F)cccc1NC[C@H](O)CNC(=O)[C@H]1CCNC1=O 1106052304 XQVURARHMWMCKL-UWVGGRQHSA-N 320.324 -0.278 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)[C@H]2CC(=O)N(C)C2)C[C@H]1C 1106201080 TXCUXWGQZUNOSQ-QLFBSQMISA-N 321.421 -0.201 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)C[C@H]1C 1106604395 PXKQIIXTGVMJLQ-JHJVBQTASA-N 308.382 -0.998 30 20 DBED C[C@@H](CC(=O)N[C@H](C)CNc1cncc(C#N)n1)NC(N)=O 1107950607 PBNPMUWRDOEDMO-DTWKUNHWSA-N 305.342 -0.288 30 20 DBED CNC(=O)NCC(=O)N[C@H](C)CNc1ncc(C#N)cc1F 1108185301 VOOLCWVERVLSAW-MRVPVSSYSA-N 308.317 -0.062 30 20 DBED C[C@@H](CNc1nccnc1C#N)NC(=O)[C@H]1COCCN1C 1108319713 DMVFGIPBUIMHEA-CMPLNLGQSA-N 304.354 -0.405 30 20 DBED C[C@@H](CN1CCOCC1)C(=O)NC[C@@]1(C)CN(CC#N)CCO1 1108400826 KQYMQIOQPFGSHT-HOCLYGCPSA-N 324.425 -0.315 30 20 DBED C=CCC[C@H](C)N1CC(N2C[C@@H](NC(=O)C(N)=O)CC2=O)C1 1108567197 YIOZHMNQMVGTFI-QWRGUYRKSA-N 308.382 -0.772 30 20 DBED Cc1nonc1CC(=O)N(C)CCCN=c1cc[nH]c(C#N)n1 1109508540 ASLCICADVBHJDS-UHFFFAOYSA-N 315.337 -0.035 30 20 DBED CNC(=O)NCC(=O)N[C@@]1(C)CCN(c2cncc(C#N)n2)C1 1110822715 RWRIYLXPPLSEAG-AWEZNQCLSA-N 317.353 -0.638 30 20 DBED CO[C@@H](C)CC(=O)N(C)[C@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1111175855 YAXVKTVYNIQBIO-SRVKXCTJSA-N 319.365 -0.219 30 20 DBED N#Cc1c(F)cccc1NCCN(CCO)C(=O)CNC(N)=O 1111416474 JDBFFSZMAFPXBY-UHFFFAOYSA-N 323.328 -0.402 30 20 DBED N#Cc1nc(=NCCN(CCO)C(=O)C2(CF)CC2)cc[nH]1 1111564493 SQBQDDZINLHHAM-UHFFFAOYSA-N 307.329 -0.247 30 20 DBED C#CCN1C[C@@H]2CCC[C@]2(NC(=O)CC[C@H]2NC(=O)NC2=O)C1 1111975147 VAUXVQFNMKEAHI-OZVIIMIRSA-N 318.377 -0.422 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)c2cnns2)CC1 1112649758 QUTSYGMKPMKDJN-JTQLQIEISA-N 307.379 -0.566 30 20 DBED CCOCCC(=O)NC[C@H]1CN(c2cnc(C#N)cn2)C[C@H]1O 1112703163 YJLWZJJWPRNALJ-WCQYABFASA-N 319.365 -0.312 30 20 DBED CC(C)(O)CC(=O)NC[C@@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1112717103 DVWBWQFAUFSBOR-PWSUYJOCSA-N 319.365 -0.577 30 20 DBED C[C@@H](N=c1cc[nH]c(C#N)n1)[C@@H](C)NC(=O)CCNC(N)=O 1113039131 PRISINOSDYCESD-RKDXNWHRSA-N 305.342 -0.866 30 20 DBED CC(C)[C@H](NS(C)(=O)=O)C(=O)N1CCN(CC#N)CC1 1113414968 BEUYHSAJDDYKTA-NSHDSACASA-N 302.400 -0.772 30 20 DBED C[C@@H](CNC(=O)Cn1cnnn1)N(C)c1ccc(C#N)cn1 1113487720 RWQWQAKPLSSBHG-JTQLQIEISA-N 300.326 -0.419 30 20 DBED C#CCOCCC(=O)NC1[C@@H]2CN(CC(=O)N(C)CC)C[C@@H]12 1114265180 ANRQSGLANOUCQP-CHWSQXEVSA-N 307.394 -0.449 30 20 DBED CC#CCN1C[C@H]2C(NC(=O)CCc3nnc(O)nc3O)[C@@H]2C1 1114512934 JOJBBMLENVYRNB-NXEZZACHSA-N 317.349 -0.715 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)COCC(F)F)[C@H]2C1 1114619061 PQEPBJUTVDLONU-YABSGUDNSA-N 302.321 -0.036 30 20 DBED C=CC(C)(C)C(=O)N[C@H]1[C@@H]2CN([C@H](C)C(=O)NC(N)=O)C[C@@H]21 1114692227 CTWMRJBTXAPTEM-ZNSHCXBVSA-N 308.382 -0.172 30 20 DBED CC(=O)N[C@H](C)C(=O)N[C@H]1C[C@H](CN=c2cc[nH]c(C#N)n2)C1 1114733400 BWMLBCUZUXUUHY-YUSALJHKSA-N 316.365 -0.399 30 20 DBED CNC(=O)CC(=O)N[C@H]1C[C@H](CNc2cnc(C#N)cn2)C1 1114763463 WRVRCOQNUOFEAJ-MGCOHNPYSA-N 302.338 -0.209 30 20 DBED N#CCN1C[C@@H]2C(NC(=O)CC(=O)NCC(F)(F)F)[C@H]2C1 1115046613 OZLVTPOYBDZYAJ-YUMQZZPRSA-N 304.272 -0.375 30 20 DBED CCc1nc[nH]c1C(=O)NC1[C@H]2CN(CC(=O)NCC#N)C[C@H]12 1115186536 VSIJDLXNHMMIGJ-UWVGGRQHSA-N 316.365 -0.728 30 20 DBED O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CCC[C@@H]1CO 1116091983 OLXBIMFTIOCIIE-JBEXSADBSA-N 308.338 -0.321 30 20 DBED N#CCNC(=O)CNC1CC2(C1)CC(NC(=O)[C@@H]1CCCO1)C2 1120556587 CSROTPBRQPBDBV-KSISSFPLSA-N 320.393 -0.178 30 20 DBED Cc1nnsc1C(=O)NC[C@H](CO)Nc1cncc(C#N)n1 1121054905 HNBSXPPBNFSSHD-SECBINFHSA-N 319.350 -0.289 30 20 DBED CC(=O)N(C)CC(=O)NC[C@@H](CO)Nc1ccc(C#N)cn1 1121086033 IYKQDEWKEKHBIA-LBPRGKRZSA-N 305.338 -0.679 30 20 DBED Cc1cc(C(=O)NC[C@@H](CO)Nc2cncc(C#N)n2)nn1C 1121150504 MIKJNNCGQSWJID-NSHDSACASA-N 315.337 -0.407 30 20 DBED N#Cc1nc(=N[C@H](CO)CNC(=O)C2[C@H]3CCC[C@H]23)cc[nH]1 1121266590 WQHGLRLJAZPSCS-DCAQKATOSA-N 301.350 -0.295 30 20 DBED Cn1oc(C(=O)NC[C@H](CO)Nc2ccc(C#N)nc2)cc1=O 1121365244 KQDIRSSFJITKBG-LLVKDONJSA-N 317.305 -0.552 30 20 DBED N#Cc1cccnc1N[C@@H](CO)CNC(=O)Cn1nccn1 1122097937 HPAGUQMSCVAPGK-LLVKDONJSA-N 301.310 -0.866 30 20 DBED CNC(=O)CC(=O)N1C[C@@H](N=c2cc[nH]c(C#N)n2)C[C@H]1C 1123202129 HYVHFOJYYAPZFW-ZJUUUORDSA-N 302.338 -0.692 30 20 DBED COC[C@H](C)C(=O)N(C)C[C@@H](O)CNc1cncc(C#N)n1 1124197626 ZMLWEKPBQVWPHA-JQWIXIFHSA-N 307.354 -0.138 30 20 DBED CN(C[C@@H](O)CNc1cnc(C#N)cn1)C(=O)c1ncn(C)n1 1124296115 VRWSYMXPEXTQPP-JTQLQIEISA-N 316.325 -0.978 30 20 DBED C#CCNC(=O)CC(=O)NCCNCc1nc(C2CC2)n[nH]1 1125981775 KBJRKUNVGVIDLA-UHFFFAOYSA-N 304.354 -0.973 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)c1cc(=O)n(C)o1 1126301917 LTKXWWINNFFBSJ-UHFFFAOYSA-N 322.365 -0.502 30 20 DBED CN(CCOCCNc1cncc(C#N)n1)C(=O)c1nc[nH]n1 1127357687 QRTOCYWUJMCDEP-UHFFFAOYSA-N 316.325 -0.333 30 20 DBED N#CCNCc1cccc(N2CC[C@@H](NC(=O)CC(N)=O)C2)n1 1128095798 BINOWYZBGGWICN-GFCCVEGCSA-N 316.365 -0.735 30 20 DBED CCC(=O)N[C@@H](C)C(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1 1129010007 YQXFYGLRARWOQD-TUAOUCFPSA-N 319.369 -0.942 30 20 DBED C#CCCN[C@@H]1CN(C(=O)[C@H](C)NC(C)=O)C[C@@H]1n1ccnn1 1129552894 HPAZKFPAIGZGHE-YUTCNCBUSA-N 318.381 -0.833 30 20 DBED C=C(C)CN(CC)C(=O)CNCCNC(=O)[C@H]1CCCNC1=O 1129953081 DJXYLPCOUKITIH-ZDUSSCGKSA-N 324.425 -0.357 30 20 DBED C=C[C@H](CC)CC(=O)N1C[C@H](n2ccnn2)[C@H](NCC(N)=O)C1 1129977759 FAZUPKWPAGEAPI-UPJWGTAASA-N 320.397 -0.293 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@H]1CCCN(C(C)=O)C1 1131016505 KCHMBXMQGNYDLX-JSGCOSHPSA-N 322.409 -0.911 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)c1cccc(=O)n1C 1133646611 TZDSWPAEWOMYIJ-LLVKDONJSA-N 306.366 -0.605 30 20 DBED C=CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)CN(C)C(C)=O 1133740144 BDLHJCAKZDZLIO-VXGBXAGGSA-N 312.414 -0.360 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)C1(NC(C)=O)CCCC1 1135205957 OXWNUOKKNISWGU-LBPRGKRZSA-N 322.409 -0.721 30 20 DBED CCn1cc(C(=O)N[C@H](C)C[C@H](C)NCC(=O)NCC#N)nn1 1135806510 FKWFGUSQAFCRJM-WDEREUQCSA-N 321.385 -0.576 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)[C@H]1CCO[C@@H]1C)C2 1148488023 JFEZTARFQHHIJI-KGLIPLIRSA-N 319.405 -0.305 30 20 DBED C=CCNC(=O)CNCCNC(=O)C[C@@H]1CCCCC(=O)N1 1149103587 ITHQJFQISROTGB-LBPRGKRZSA-N 310.398 -0.557 30 20 DBED C=C(C)CN(CC)C(=O)CNCCCNC(=O)Cn1ncnn1 1158163749 YPUWWFHPQWNVOF-UHFFFAOYSA-N 323.401 -0.806 30 20 DBED CN(CC#N)C[C@H]1CCCCN1C(=O)c1nnc(O)nc1O 1158186505 SQQHLZIUQDDGQY-SECBINFHSA-N 306.326 -0.267 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)c1coc(C(N)=O)c1 1163224674 WSQLQFKRMNRZAR-SNVBAGLBSA-N 320.349 -0.774 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)c1cccnc1OC 1165759938 AWXSIWGRLBBYCI-LBPRGKRZSA-N 318.377 -0.062 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](C)CCCCNCCNS(C)(=O)=O 1169831468 ILMILOGKHMRSRN-NWDGAFQWSA-N 318.443 -0.040 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)[C@H]1CCCC(=O)N1C 1174936115 WPELYEPOVPNKJK-QWHCGFSZSA-N 322.409 -0.769 30 20 DBED N#CCNC(=O)CNCCCNC(=O)c1ccc(C(N)=O)cc1 1175835988 PGEVFKPPRYNZDN-UHFFFAOYSA-N 317.349 -0.865 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)CN(C)C(=O)COC)C[C@H]21 1177029034 BFHGPOFQSJSNFG-KGLIPLIRSA-N 323.393 -0.974 30 20 DBED C#CCOCCC(=O)N1C[C@H]2CC[C@H]1[C@H](CNCC(=O)NC)C2 1177753482 XYQBDGLWKXFDAX-KKUMJFAQSA-N 321.421 -0.011 30 20 DBED CC(C)C#CC(=O)N1CC[C@H](N[C@H](C)C(=O)NC(N)=O)[C@@H]1C 1178660333 UDOCYBQDMMLLKW-WOPDTQHZSA-N 308.382 -0.192 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2csnn2)C1 1184668178 GKICYYUWVDSILB-NXEZZACHSA-N 307.379 -0.520 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)Cn2nnnc2C(C)C)C1 1186193888 MBMFHXIXXUNZTD-CYBMUJFWSA-N 320.397 -0.363 30 20 DBED CC(C)n1cc(C(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)cn1 1187042569 BJVCDHDJXIYPRX-CYBMUJFWSA-N 318.381 -0.092 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2ccnc(C)n2)C1 1187894041 DGYWMYATMCNCLM-DGCLKSJQSA-N 315.377 -0.273 30 20 DBED C=CCOCCN(C)[C@@H]1CCN(C(=O)CS(C)(=O)=O)C1 1189151652 OFFPMELOZHKYJF-GFCCVEGCSA-N 304.412 -0.234 30 20 DBED COC(=O)C1(C#N)CCN(C(=O)c2ccc(=O)n(C)n2)CC1 1189493444 WYIJJBANYFSSRE-UHFFFAOYSA-N 304.306 -0.301 30 20 DBED C=CCCN(C)[C@@H]1CCN(C(=O)CNC(=O)CNC(C)=O)C1 1190990093 XQPJASJZPOJLIN-CYBMUJFWSA-N 310.398 -0.653 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)CCCOCC)C1 1191288018 YQHSKZCTQVXCKK-CHWSQXEVSA-N 313.398 -0.733 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2ccncn2)C1 1192969344 HWTYHIGCYMPBSX-GFCCVEGCSA-N 303.366 -0.075 30 20 DBED CN(CC(=O)NCC#N)[C@H]1CCN(C(=O)[C@@]2(C)CCCOC2)C1 1193065166 AWDQWCNORGUXNH-BBRMVZONSA-N 322.409 -0.024 30 20 DBED CN(CC(=O)N[C@@H]1CN(CC#N)C[C@H]1O)C(=O)c1cccs1 1193472342 BUPAQLQBFFVKBY-GHMZBOCLSA-N 322.390 -0.495 30 20 DBED C=CCOCCN(C)[C@@H]1CCN(C(=O)C[C@@H]2CC(=O)NC2=O)C1 1194543706 GVBWHCXNKIJWSH-QWHCGFSZSA-N 323.393 -0.226 30 20 DBED C#CCCCCCC(=O)N[C@@H]1CN(Cc2nnn(C)n2)C[C@H]1O 1195333118 AUBUIULIOFWPJY-CHWSQXEVSA-N 320.397 -0.545 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCCN(C(=O)c2cnon2)CC1 1197510415 ACXPSVNJWFIHEC-LLVKDONJSA-N 305.338 -0.645 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCN(C)C2)C1 1197792880 SAVHTXFWNHGLDF-RBSFLKMASA-N 309.410 -0.861 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)COc2ccc(C(N)=O)cc2)C1 1198827462 ZEVMNSUJRIRQAJ-ZIAGYGMSSA-N 319.361 -0.488 30 20 DBED C#CCNC(=O)CC(=O)N1CCC(NCc2nncs2)CC1 1200178285 FNISJIRHEGUAGB-UHFFFAOYSA-N 321.406 -0.242 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)C[C@H]1CCCO1 1206231025 SPBXYYSRYQHNLM-JHJVBQTASA-N 308.382 -0.368 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCC[C@H](NCc2nnn(C)n2)C1 1207950733 NJOGYPVUMYSWKQ-FZMZJTMJSA-N 308.386 -0.382 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)[C@H]2CCN(C(C)=O)C2)C[C@H]1C 1216602500 OTBGRPORKCZTNQ-VNQPRFMTSA-N 321.421 -0.059 30 20 DBED C[C@@H]1CN(C(=O)Cc2ccc[nH]2)C[C@H]1NCC(=O)NCC#N 1216806180 FCWALDMORWIHFT-DGCLKSJQSA-N 303.366 -0.367 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2[C@@H](C1)OCCN2C(=O)C(C)C 1217305548 AKSNRAGPEVVMIG-MELADBBJSA-N 307.394 -0.308 30 20 DBED C=CCCC(=O)N1CCO[C@@H]2CN(Cc3nc(O)n[nH]3)C[C@@H]21 1217503713 KZLGJBRGUQQWTA-WDEREUQCSA-N 307.354 -0.112 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H](CC)NC(C)=O 1218677728 YZMMYDMJTSMSKM-SOUVJXGZSA-N 307.394 -0.164 30 20 DBED CC(C)[C@H](C)CC(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@@H]1O 1219330711 PGFDEKSATXPPSW-UPJWGTAASA-N 310.398 -0.530 30 20 DBED C=C(C)CN1CC[C@@H]2CN(C(=O)CNC(=O)CNC(C)=O)[C@@H]2C1 1221654445 KOCUODWJVRKKLC-ZIAGYGMSSA-N 322.409 -0.653 30 20 DBED N#CCNC(=O)CN1CC[C@@H]2CCN(C(=O)c3ncc[nH]3)C[C@@H]21 1222632117 MKARAOYEQWPCIG-NEPJUHHUSA-N 316.365 -0.414 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCOC1 1225247466 XKVBWYHWDYYGAO-JHJVBQTASA-N 308.382 -0.320 30 20 DBED Cc1cc(CC(=O)N(C)C[C@H]2CCN2CC(=O)NCC#N)no1 1231333320 DDUFZLXTURHMLC-CYBMUJFWSA-N 319.365 -0.302 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@@H]1CN(C)C(=O)c1ncn(C)n1 1234059755 PCIGSFUKJKBTGB-VXGBXAGGSA-N 318.381 -0.901 30 20 DBED C=CCNC(=O)CN1CC[C@H]1CN(C)C(=O)c1cnn(CC)n1 1234061059 WRDIITNGQWBYQY-LBPRGKRZSA-N 320.397 -0.254 30 20 DBED C#CCN1CC[C@@H]1CN(C)C(=O)[C@H](C)NS(=O)(=O)CC 1234447882 YJXUTXOCPMQBCF-NWDGAFQWSA-N 301.412 -0.520 30 20 DBED C=CCN1CCC(NC(=O)C(=O)N2CC[C@H]([C@@H](C)O)C2)CC1 1256780203 SGVYSHIIJSEVGK-OLZOCXBDSA-N 309.410 -0.018 30 20 DBED C#CCNC(=O)CCNC[C@@H]1CCCC[C@H]1NS(C)(=O)=O 1262573756 CGHJEJPBWSEFQO-QWHCGFSZSA-N 315.439 -0.177 30 20 DBED C#CCNC(=O)CN1CCC[C@@H](NC(=O)c2ncoc2C)C1 1266205723 PVQKXFBIORMDLN-GFCCVEGCSA-N 304.350 -0.073 30 20 DBED CCc1nnc(N(CCC#N)CCOC)n1Cc1nnn(C)n1 1306098506 OFLWRDINBLIENB-UHFFFAOYSA-N 319.373 -0.221 30 20 DBED C[C@H](O)CN(C(=O)C(=O)Nc1ccn(CCC#N)n1)[C@@H](C)CO 1320935378 ARHZQXIYJLHKEF-QWRGUYRKSA-N 323.353 -0.675 30 20 DBED C=CCN(C)C(=O)C(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 1324345426 OVGRHXANKBGTTD-JTQLQIEISA-N 303.384 -0.972 30 20 DBED N#C[C@]1(F)CCN(C(=O)C(=O)N2CCC[C@@H]2C(=O)NC2CC2)C1 1325131590 LRKDEVBFZQZXQM-IAQYHMDHSA-N 322.340 -0.280 30 20 DBED CN(CCCNC(=O)C(=O)NCCCCC#N)S(C)(=O)=O 1327823417 RQVHIIHAGJKILK-UHFFFAOYSA-N 318.399 -0.806 30 20 DBED COCC#CC(=O)NCCN1CCN(c2ncccn2)CC1 1329868432 DIVZAFCXGDOLMU-UHFFFAOYSA-N 303.366 -0.635 30 20 DBED C=CCn1c([C@H]2CC(=O)N(C)C2)nnc1N1CCNC(=O)C1 1339609156 HAEBLMVDQVDZCT-JTQLQIEISA-N 304.354 -0.654 30 20 DBED C=CCCOCCNC(=O)C(=O)N[C@H]1CCCS(=O)(=O)C1 1342117131 MDNWFFJUPGBERD-NSHDSACASA-N 318.395 -0.611 30 20 DBED C[C@@H](NC(=O)C(=O)N1CC[C@@](F)(C#N)C1)c1nnc2n1CCC2 1344916201 BVXIZPQZCJCVGC-YMTOWFKASA-N 320.328 -0.134 30 20 DBED CC1(CNC(=O)C(=O)N2CC[C@](O)(CC#N)C2)CCOCC1 1345858057 NPAFUIIMBKGMPA-OAHLLOKOSA-N 309.366 -0.204 30 20 DBED C[C@@H](CC(C)(C)O)NC(=O)CCn1cc(C#N)c(O)nc1=O 1362594654 YSVSMUHGHDGKLG-VIFPVBQESA-N 308.338 -0.124 30 20 DBED C[C@@H](NC(=O)CCn1cc(C#N)c(O)nc1=O)c1cnccn1 1362879927 IMKRHAGMLSMHGD-SECBINFHSA-N 314.305 -0.122 30 20 DBED CCOC(=O)[C@H](C)N(C)C(=O)CCn1cc(C#N)c(O)nc1=O 1363064706 MYYFTBZTZLWUIK-VIFPVBQESA-N 322.321 -0.379 30 20 DBED N#CCCN1CCN(C(=O)c2ccnc(S(N)(=O)=O)c2)CC1 1364498199 ZCYRVQKXKCSUOY-UHFFFAOYSA-N 323.378 -0.600 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)[C@@H](NC(N)=O)C(C)(C)C)C1 1385940366 HAPXSCVKUADRDR-XWLWVQCSSA-N 323.397 -0.008 30 20 DBED C[C@H](C#N)C(=O)NC1CN(C(=O)c2cccc(C(N)=O)c2)C1 1398681928 HGOIYJUJEXRDQV-SECBINFHSA-N 300.318 -0.114 30 20 DBED CNC(=O)NCC(=O)NC1CN(Cc2ccc(C#N)cc2F)C1 1404756591 MGLZRLKWQHGIPY-UHFFFAOYSA-N 319.340 -0.073 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(CCNC(=O)C[C@@H]2CCCO2)CC1 1407438678 JZZDQCRABVYUGH-KBPBESRZSA-N 322.409 -0.024 30 20 DBED N#Cc1cc(=O)n(CC(=O)CCNC(=O)C(F)(F)F)cn1 1412921791 JXPONZJJAYSLHT-UHFFFAOYSA-N 302.212 -0.247 30 20 DBED Cc1cnn(CC(=O)N(C)C[C@@H](O)CNC(=O)[C@H](C)C#N)c1 1413237344 PHGZYLWMXUEELS-NEPJUHHUSA-N 307.354 -0.713 30 20 DBED N#Cc1cn(CCNC(=O)N2CCSCC2)c(=O)nc1O 1413398241 HNTUCUDWGFZLSY-UHFFFAOYSA-N 309.351 -0.421 30 20 DBED C[C@H](C#N)C(=O)NC1CC2(CC(NC(=O)CCNC(N)=O)C2)C1 1414527823 YZQQKSPKUBTYBC-RURBXUPXSA-N 321.381 -0.252 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CCN(C(=O)CN2CCOCC2)C1 1414591720 ACCLLKQFLDFLTK-OLZOCXBDSA-N 308.382 -0.462 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1conc1C1CC1 1416781796 KLWHMQPEGSBMFC-WPRPVWTQSA-N 306.322 -0.081 30 20 DBED COC(=O)[C@H](CC1CC1)NC(=O)Cn1cc(C#N)c(O)nc1=O 1418095285 ZRMQSHVLQOHATB-JTQLQIEISA-N 320.305 -0.722 30 20 DBED C=C(Cl)CNC[C@H](O)CNC(=O)[C@H]1CCCCS1(=O)=O 1420138593 LNQOQWBBRKBXSY-WDEREUQCSA-N 324.830 -0.227 30 20 DBED C[C@H](CNC[C@H](O)Cn1cccn1)NC(=O)c1cc(C#N)c[nH]1 1420274499 CPELHRKXELHBPI-YPMHNXCESA-N 316.365 -0.148 30 20 DBED COCCN(CCNC(=O)Cc1nonc1C)C(=O)[C@H](C)C#N 1426073931 VVGWBQLCXJCDPS-SNVBAGLBSA-N 323.353 -0.329 30 20 DBED Cc1cnc(CCNC(=O)Cn2cc(C#N)c(O)nc2=O)cn1 1434058410 GVRUGWGSUZIKEJ-UHFFFAOYSA-N 314.305 -0.722 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](C)CN(C)C(=O)Cn1ccc(O)nc1=O 1510650281 XXLHPWDASWCTRX-VHSXEESVSA-N 321.337 -0.928 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)[C@@H]2CCCC(=O)N2C)CC1 1535743180 FTERYFOVXOUOKC-QWRGUYRKSA-N 306.366 -0.078 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](C)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 1573585654 UJERVMKMHWJGFA-JGVFFNPUSA-N 316.325 -0.411 30 20 DBED CCN(CCNC(=O)[C@H](C)C#N)c1cncc(-c2nn[nH]n2)n1 1577924213 WZRUJTCAZXANDG-SECBINFHSA-N 315.341 -0.241 30 20 DBED C#C[C@@H](NC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)cn1)C(C)C 1588327563 LSWHHPJUWVKVJX-SNVBAGLBSA-N 313.321 -0.026 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H](CNc2ncc(C(=O)O)cn2)C1 1589329359 LSRYZVKZNGQQLJ-ONGXEEELSA-N 319.321 -0.026 30 20 DBED CC(C)(C)OC(=O)CN1CC[C@@H](N(CC#N)CC(=O)O)C1=O 1589890261 BIJZOBUZINPSQM-SNVBAGLBSA-N 311.338 -0.161 30 20 DBED CC[C@@H]1NCC[C@@H]1C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[nH]1 1590526928 UUCDRENHYRTZBL-BQBZGAKWSA-N 301.314 -0.212 30 20 DBED N#Cc1nc(NC(=O)CCCn2cncn2)[nH]c1-c1nn[nH]n1 1592683164 LFZBRSZVRGFALY-UHFFFAOYSA-N 313.285 -0.528 30 20 DBED N#CCC1(CS(=O)(=O)N2C[C@H](O)C[C@@H](C(=O)O)C2)CC1 1601062503 JIMALINPYYWQKQ-NXEZZACHSA-N 302.352 -0.223 30 20 DBED N#Cc1ccc(S(=O)(=O)NC[C@]2(C(=O)O)CCOC2)o1 1601111388 ABTNLMQDNJSCLE-LLVKDONJSA-N 300.292 -0.079 30 20 DBED C=C1CC(C)(C(=O)N2CC(O)(CNC(=O)[C@@H]3C[C@@H]3C(=O)O)C2)C1 1602791300 JXCXBJDZPXAPSE-MNOVXSKESA-N 322.361 -0.247 30 20 DBED C=CCn1c(C[S@@](C)=O)nnc1N1CCO[C@@H](C(=O)O)C1 1602935176 AKJUPRCHRAGAAK-AOUSDQRYSA-N 314.367 -0.368 30 20 DBED C#CCN(C(=O)c1c[nH]c(C(=O)O)c1)[C@@H]1CCS(=O)(=O)C1 1609137383 QCOZONSNMSJASE-SNVBAGLBSA-N 310.331 -0.025 30 20 DBED C=CCOC[C@@H](NC(=O)CNC(=O)c1cccc(O)c1)C(=O)O 1609432086 COPUELVDDHKBHI-GFCCVEGCSA-N 322.317 -0.106 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC[C@@H](NC(=O)c2cnnn2CC)C1 1690089162 OTLZFPUCOHBJLP-VXGBXAGGSA-N 320.397 -0.207 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@H]1CCCN1Cc1nc(O)n[nH]1 1753106575 YOGNIECNRWLKMW-YGRLFVJLSA-N 309.370 -0.082 30 20 DBED CNC(=O)NCCC(=O)N1C[C@@H]2C[C@H]1CN2CC#CCOC 1753419470 ALKWMCYIYHIVHG-STQMWFEESA-N 308.382 -0.760 30 20 DBED C#CCNC(=O)CNC[C@H](C)CNC(=O)c1cnoc1CC 1753633817 JKESZOBPYJEPFP-NSHDSACASA-N 306.366 -0.058 30 20 DBED CCc1cnc(CC(=O)N(C)CCN(C)CC(=O)NCC#N)[nH]1 1753855247 QBMDMRUJIZZUMD-UHFFFAOYSA-N 320.397 -0.455 30 20 DBED Cc1cnn(CCC(=O)N(C)CCN(C)CC(=O)NCC#N)c1 1753869539 XDODHSXDLQLSSR-UHFFFAOYSA-N 320.397 -0.388 30 20 DBED C=C(C)CCNC[C@H](O)CNC(=O)[C@@H]1CCc2nnn(C)c2C1 1753925630 NAUSWQUFMUIDLW-OLZOCXBDSA-N 321.425 -0.047 30 20 DBED C=CCNC(=O)[C@H](C)NCCCN(C)C(=O)[C@H]1CCC(=O)N1 1754363657 XAWBRSPNZGOZJX-NWDGAFQWSA-N 310.398 -0.606 30 20 DBED C#CCN(C(=O)[C@@H]1CCCCO1)C1CCN(CC(N)=O)CC1 1754636858 PBJRDSINLMWDTK-AWEZNQCLSA-N 307.394 -0.033 30 20 DBED C[C@]1(CNC(=O)C[C@H]2CC(=O)NC2=O)CCCN(CC#N)C1 1754735101 UVULPZCYDSJUBI-XHDPSFHLSA-N 306.366 -0.219 30 20 DBED N#CCNCCN(CCO)C(=O)c1cccc(-n2cncn2)n1 1754895537 YSGDJIUGKUEYNO-UHFFFAOYSA-N 315.337 -0.790 30 20 DBED N#CCNCC1(NC(=O)C(=O)NCC(F)F)CCOCC1 1755095961 XSZAVNHBRADBQT-UHFFFAOYSA-N 304.297 -0.854 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(CNC(=O)[C@@H](C)OCC#C)[C@H]2C1 1755422397 CLTVESMRZXJREU-BPLDGKMQSA-N 317.389 -0.932 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(CNC(=O)[C@@]34COC[C@@H]3C4)[C@H]2C1 1755423359 RJVCOIDUCHTRTQ-VYHVBIQSSA-N 319.405 -0.381 30 20 DBED CN(C(=O)[C@]1(C)CCOC1)[C@@H](CNCC(=O)NCC#N)C1CC1 1755569325 UCZAKFHHIKMYRT-XJKSGUPXSA-N 322.409 -0.121 30 20 DBED C=CCOCC(=O)NC[C@H](C)N(C)C(=O)[C@@H]1CCNC(=O)C1 1756010901 KFTXVUDYLIBOGZ-NWDGAFQWSA-N 311.382 -0.322 30 20 DBED C#CCCCCC(=O)NC[C@@H](CO)NC(=O)c1cn(C)cn1 1756513327 FIGNGODQTGNJBS-LBPRGKRZSA-N 306.366 -0.179 30 20 DBED CC(=O)NC(C)(C)C(=O)NC[C@@H](O)CN(C)C(=O)C#CC1CC1 1756663245 SUZOYOPAFWWAGB-CYBMUJFWSA-N 323.393 -0.750 30 20 DBED CC(C)C#CC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)C[C@H]21 1757228029 KPBDEQOPZHDDMM-FRRDWIJNSA-N 318.377 -0.614 30 20 DBED CC(=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC#N)[C@H]2C1 1786703345 KDJMQHMPBQYUGF-AVGNSLFASA-N 307.350 -0.141 30 20 DBED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)c1ccccn1)C2 1846195075 ZHBQANQQVLNPCT-UHFFFAOYSA-N 313.313 -0.013 30 20 DBED CCCCS(=O)(=O)/N=C(\O)Cn1ccc(=O)n(C)c1=O 48518674 OISRPXBIILWROQ-UHFFFAOYSA-N 303.340 -0.367 30 20 DBED CC(C)[C@H](C#N)N1CCN(C(=O)[C@H](C)NS(C)(=O)=O)CC1 74251255 FFGNYSMZUISLJK-RYUDHWBXSA-N 316.427 -0.384 30 20 DBED CCOCCN/C(=N/C)N1CCN(c2cnn(C)c2)C(=O)C1 155846745 NNUNKLNOEDECKI-UHFFFAOYSA-N 308.386 -0.319 30 20 DBED COC(=O)C[C@@H]1C(=O)NCCN1CC(=O)N[C@](C)(C#N)C1CC1 251039181 NLRWOHPFKLHWLH-IAQYHMDHSA-N 322.365 -0.842 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)/C=C/CN(C)C)CC1 265609309 BTWXRHNWUWXNDS-FNORWQNLSA-N 306.410 -0.612 30 20 DBED CCCN(CC#N)C(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 266272435 OJMNHBUACLTVEN-FPQZTECRSA-N 305.334 -0.089 30 20 DBED O=C1C[C@H](Cc2ccc(C(=O)NCC#CCO)cc2)C(=O)N1 282910174 MQXMYICKAUMHJR-ZDUSSCGKSA-N 300.314 -0.383 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@@H]2CCSC2)C1=O 287043888 SLWDDAMQDDJTQN-GHMZBOCLSA-N 311.407 -0.147 30 20 DBED CNC(=O)[C@H]1CN(S(=O)(=O)Cc2ccc(C#N)cc2)CCO1 289160945 LSNPEWYPRDSGTA-CYBMUJFWSA-N 323.374 -0.165 30 20 DBED CS(=O)(=O)N1CC[C@H](CN/C(O)=N/CCN2CCC2)C1 328750506 RGJSTSMXECVMTK-LLVKDONJSA-N 304.416 -0.523 30 20 DBED CCCNC(=O)CN/C(O)=N/C[C@H]1CCN(S(C)(=O)=O)C1 330409637 IQEMAMNPVJZSFO-SNVBAGLBSA-N 320.415 -0.702 30 20 DBED COC(=O)[C@@H]1CN(/C(O)=N/C[C@@H](C)N2CCOCC2)CCO1 330592029 RKPYTDVGCQUNAR-NEPJUHHUSA-N 315.370 -0.505 30 20 DBED CC(C)C/N=C(/O)NC(=O)[C@H](C)N1CCN2C(O)=NC[C@H]2C1 331195413 TZKSIHTZZARQFW-QWRGUYRKSA-N 311.386 -0.025 30 20 DBED N#CCNC(=O)CNC(=O)CNC(=O)c1cc2ccccc2[nH]1 344171542 XCZXYUVVJDVLIW-UHFFFAOYSA-N 313.317 -0.346 30 20 DBED C[C@@H](CO)N1CCCN(S(=O)(=O)N(C)CCC#N)CC1 345322226 BPVGJTHKEMYVCJ-LBPRGKRZSA-N 304.416 -0.535 30 20 DBED C=CCCN(C)C(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1 346825574 QKVAFEVXBCOOJQ-UHFFFAOYSA-N 315.351 -0.309 30 20 DBED N#CCCN(CCN1CCOCC1)C(=O)[C@@H]1CC[C@H](C(N)=O)O1 354094294 URIFTZJFPMJPJF-OLZOCXBDSA-N 324.381 -0.906 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(F)(C#N)CC2)C1=O 359361502 NRHYRRCYYKJUEA-UHFFFAOYSA-N 322.296 -0.183 30 20 DBED N#Cc1ncn(CC(=O)N2CCN(c3cnccn3)CC2)c1C#N 361777618 WGPDQRMBBUDRDC-UHFFFAOYSA-N 322.332 -0.235 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCO[C@@H]2C2CC2)C1=O 372374979 IWVIORSIHLEDPO-CMPLNLGQSA-N 321.333 -0.353 30 20 DBED N#CCNC(=O)CN1CCC(S(=O)(=O)N2CCCC2)CC1 407964911 IWOWVUZFAACFBQ-UHFFFAOYSA-N 314.411 -0.484 30 20 DBED C=C(C)CS(=O)(=O)N1CCC[C@H](CNS(N)(=O)=O)C1 408407452 XFXYYIINLUTWIA-SNVBAGLBSA-N 311.429 -0.603 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N[C@@H]2CCCC[C@@H]2CN)nn1 424553052 YSVWDXMKNANCJC-DGCLKSJQSA-N 320.397 -0.286 30 20 DBED C=CCn1cc(CNC(=O)CCN2CCCS2(=O)=O)nn1 424924815 MSJLWELUJVBKJI-UHFFFAOYSA-N 313.383 -0.494 30 20 DBED C=CCNC(=O)NC(=O)CN1CCC[C@H](NC(=O)N(C)C)C1 451991861 SYMNCAHPBDVNBM-NSHDSACASA-N 311.386 -0.266 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)C2=CCOCC2)CC1 490973980 MTQMGOMVKIHIFA-UHFFFAOYSA-N 305.378 -0.383 30 20 DBED C[C@@H](NS(=O)(=O)CC1(C#N)CCC1)C(=O)N1CCOCC1 516350504 MMKOBQMOUWLVMK-LLVKDONJSA-N 315.395 -0.153 30 20 DBED C=C(C)CS(=O)(=O)N1CCCN(C(=O)CNC(C)=O)CC1 528538485 PWKSXGZXLOGYKF-UHFFFAOYSA-N 317.411 -0.437 30 20 DBED CN1CCC(N(C)CCN(C)C(=O)Cn2cnc(C#N)n2)CC1 531771737 WYYMKWLNIOKYJZ-UHFFFAOYSA-N 319.413 -0.366 30 20 DBED CS(=O)(=O)N1CC[C@H](NC(=O)N2CCC(C#N)CC2)C1 571214757 BVXPJVIVDRBHPY-NSHDSACASA-N 300.384 -0.035 30 20 DBED COc1cc(C#N)ccc1S(=O)(=O)N1CCOC[C@@H](O)C1 577866689 APZHJSNXYRYUEE-NSHDSACASA-N 312.347 -0.051 30 20 DBED CN(C)C[C@@](C)(C#N)NC(=O)Cn1nnc2ccccc2c1=O 593155625 LJZARJLTOQUFMY-OAHLLOKOSA-N 314.349 -0.248 30 20 DBED C[C@@H]1CN(c2nccnc2C#N)CCN1c1nc(=N)[nH]c(=N)[nH]1 599056035 HUKIFHAODJFAPN-MRVPVSSYSA-N 312.341 -0.926 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)Nc2cc(C(N)=O)[nH]n2)cc1 611141544 KBSOAXQNMBALEH-UHFFFAOYSA-N 312.289 -0.251 30 20 DBED Cc1cc(NC(=O)N2CCO[C@H](C(N)=O)C2)nn1CCC#N 611266743 GLNUQBRUAVVMNU-JTQLQIEISA-N 306.326 -0.177 30 20 DBED C=C(C)CN1CCC(NC(=O)C(=O)NC[C@@H]2COCCN2)CC1 627386140 GXLKTXLBGWZTHX-CQSZACIVSA-N 324.425 -0.752 30 20 DBED C=CCN(C(=O)CN1CCNCC1)[C@H]1CCS(=O)(=O)C1 637943608 HCWJVQANCYTZHX-LBPRGKRZSA-N 301.412 -0.907 30 20 DBED C=CCC[C@@H](O)Cn1cc(CNC(=O)CN2CCNCC2)nn1 641212809 RKZGZINEZAXXLA-CQSZACIVSA-N 322.413 -0.873 30 20 DBED CN(CCNS(C)(=O)=O)S(=O)(=O)c1ccc(C#N)nc1 690928342 WHRJLDUWAMLFRG-UHFFFAOYSA-N 318.380 -0.877 30 20 DBED C#CCCCS(=O)(=O)N1CCC(NS(C)(=O)=O)CC1 710090133 KJDFDWNCPNXNCM-UHFFFAOYSA-N 308.425 -0.257 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)CC1(CS(C)(=O)=O)CC1 747063223 YKSMSGQLRFNYGU-JTQLQIEISA-N 301.364 -0.118 30 20 DBED C#CCNS(=O)(=O)N1CCN(CCC2OCCCO2)CC1 761031759 CAEYBNCTJHJGFN-UHFFFAOYSA-N 317.411 -0.775 30 20 DBED C#C[C@@H](NC(=O)N1CCN(CC(=O)NCC)CC1)[C@@H]1CCCO1 773561712 TVCPIHPKQOQEOL-KGLIPLIRSA-N 322.409 -0.370 30 20 DBED Cn1nccc1COCC(=O)NS(=O)(=O)CCCC#N 793191524 SKCWVBXNAWHCFL-UHFFFAOYSA-N 300.340 -0.314 30 20 DBED CNC(=O)CNC(=S)NN=C1CCCc2c1ccc(=O)n2C 814844568 LCSCWMFHXKJCAN-UHFFFAOYSA-N 321.406 -0.364 30 20 DBED N#C[C@@H](C(=O)[C@H]1C[C@@H]1C1CC1)C(=O)N1CCS(=O)(=O)CC1 815947318 XGEKSOOOASZYLQ-WOPDTQHZSA-N 310.375 -0.002 30 20 DBED C#CC[C@H](CO)NC(=O)[C@@H](C)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 820059919 PSWDNYDTCCBREQ-GRRRKWKPSA-N 320.345 -0.962 30 20 DBED Cc1cc(C(=O)N[C@@H]2CNC[C@H]2C#N)ccc1S(N)(=O)=O 843458855 ANQWIWYWVQMSRW-GHMZBOCLSA-N 308.363 -0.516 30 20 DBED C#CC[C@@H](NC(=O)C1=C(C)N(C)c2nnnn2[C@@H]1C)C(=O)OC 848219463 AGJNICBMNWKCKN-NXEZZACHSA-N 318.337 -0.361 30 20 DBED C/N=C(/NCCN1CCOCC1)NCC1(CO)CCOCC1 849014153 HSHHZUUYHNHUEN-UHFFFAOYSA-N 314.430 -0.727 30 20 DBED CC(C)(C)n1nnc(C=NN=c2nc3[nH][nH]cc-3c(O)n2)n1 853304930 HZOVYVFNTMEMAH-UHFFFAOYSA-N 302.302 -0.381 30 20 DBED Cn1cc(N2C[C@H](C(=O)[C@@H](C#N)C(=O)NC3CC3)CC2=O)cn1 860472821 FJQXOAVWCZJGES-BXKDBHETSA-N 315.333 -0.240 30 20 DBED CCN(CCN)C(=O)C(=O)NCCNc1ncccc1C#N 861757808 YGFAFBZQFIKSOU-UHFFFAOYSA-N 304.354 -0.711 30 20 DBED CC(C)(C)OC(=O)N1CC(S(=O)(=O)O[C@H]2CNOC2)C1 867257547 XJUTWMWNZNIJPC-QMMMGPOBSA-N 308.356 -0.145 30 20 DBED C#CC1(O)CN(C(=O)c2cccn2CCN2CCOCC2)C1 890526166 PSMBPEUKHRUYHN-UHFFFAOYSA-N 303.362 -0.360 30 20 DBED C#CC1(O)CN(S(=O)(=O)c2cnc(C)c(C(=O)OC)c2)C1 908230471 XQLQELGEVHVTJO-UHFFFAOYSA-N 310.331 -0.455 30 20 DBED C=C[C@H](O)C(=O)N1CCN(C[C@@H]2CCCS2(=O)=O)CC1 913125696 ZCVDPDJHMHIRSL-RYUDHWBXSA-N 302.396 -0.745 30 20 DBED C#CC[C@H](CO)NC(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O 920631930 OPSQCHCBLCCDFL-VXGBXAGGSA-N 319.365 -0.401 30 20 DBED CCN(C(C)(C)C(=O)OC)S(=O)(=O)N1CCO[C@@H](C#N)C1 922000860 SOXSCCIQUIYXHQ-JTQLQIEISA-N 319.383 -0.271 30 20 DBED C#CCCN1CCN(C(=O)C[C@@]2(C)CCS(=O)(=O)N2)CC1 931344233 FTXXZECOZKYDIO-CQSZACIVSA-N 313.423 -0.374 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(=O)n(C)c1 937517224 OSKPQOVMDYSVSC-WXHSDQCUSA-N 314.345 -0.030 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)c3cnn(C)n3)C2)cn1 938376070 ZWROWUYRSRQDJG-ZDUSSCGKSA-N 324.344 -0.164 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](N(C)C(=O)c2ccc(C(N)=O)[nH]2)C1 939406666 SOLZMQCXCAYFAS-UWVGGRQHSA-N 317.349 -0.054 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@H](CNC(=O)c2cnccn2)C1 944457668 LMNRHHUZXMLWLL-GHMZBOCLSA-N 303.322 -0.407 30 20 DBED C[C@H]1CCCN(C(=O)C(N)=O)[C@@H]1CNC(=O)c1cc(C#N)c[nH]1 945800718 NHAXQNMDFVGEEK-JOYOIKCWSA-N 317.349 -0.271 30 20 DBED NC(=O)c1c[nH]c(C(=O)NC[C@H]2CCN2C(=O)C#CC2CC2)c1 951835184 GHTPIAGPDCYWLA-GFCCVEGCSA-N 314.345 -0.142 30 20 DBED CCc1nnc(C)cc1C(=O)NC[C@H]1CN(CC#N)C[C@H]1O 958195872 LSHHXHRXIGGKRF-SMDDNHRTSA-N 303.366 -0.107 30 20 DBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1[C@@H]2CN(CC(N)=O)C[C@@H]21 961994952 LAIOIBRNKOTYGU-OBORUHMCSA-N 307.394 -0.111 30 20 DBED CC#CCN1C[C@H]2C(NC(=O)[C@@H]3CCCCN3C(N)=O)[C@@H]2C1 962271352 MTFPFQJOYHFALN-UPJWGTAASA-N 304.394 -0.011 30 20 DBED C#CCCN1C[C@H]2[C@H](NC(=O)[C@H]3COCCN3C(C)=O)[C@H]2C1 962613523 FXPBGUXMKQJTQY-BARDWOONSA-N 305.378 -0.697 30 20 DBED Cc1cc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)c(C)nn1 964022522 QPQABUACTPLVIV-WQHBLYJGSA-N 317.349 -0.445 30 20 DBED CN(C(=O)CN1CCC(=O)NC1=O)C1CCC(NCC#N)CC1 964134789 UXIOCAZKRVNLPL-UHFFFAOYSA-N 321.381 -0.189 30 20 DBED C[C@H](C#N)C(=O)N1CCCC[C@@H]1CNC(=O)[C@@H]1CCC(=O)N1 964579945 NKUODXJEXUHFIL-UTUOFQBUSA-N 306.366 -0.078 30 20 DBED O=C(Cn1cnnn1)N[C@@H]1CCCN(C(=O)C#CC2CC2)CC1 964726304 JHJKGRQMIVCCMH-CYBMUJFWSA-N 316.365 -0.416 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](C)[C@@H](NC(=O)Cn2ncnn2)C1 966661282 HHCJKCYMPQDJIH-MNOVXSKESA-N 306.370 -0.152 30 20 DBED C=CCN1CC[C@H](C)[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)C1 968626629 BVMNHHDRZCDHJJ-RYUDHWBXSA-N 308.382 -0.107 30 20 DBED C=C(Cl)CN1CC([C@H](C)NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 970502768 ICRFBGFESAVFRR-WPRPVWTQSA-N 314.773 -0.227 30 20 DBED C#CCOc1ncccc1C(=O)N[C@H](C)C1CN(CC(N)=O)C1 970759253 DEZXZJIWPXFXBO-LLVKDONJSA-N 316.361 -0.371 30 20 DBED C=C(C)CN1C[C@H]2CC[C@H]1CN2C(=O)Cn1cnc(C(N)=O)n1 971397342 AFGGFUHEWQQPNN-NWDGAFQWSA-N 318.381 -0.372 30 20 DBED C=CCn1cc(C(=O)NC2CCC(NC(=O)C(N)=O)CC2)nn1 980216250 TUTGYMZZDYBKBN-UHFFFAOYSA-N 320.353 -0.893 30 20 DBED C#CCN[C@H]1CCC[C@H](NC(=O)Cn2ccc(O)nc2=O)C1 981205315 GLBZASSOGZLPSP-RYUDHWBXSA-N 304.350 -0.401 30 20 DBED C=CCN1CC[C@H](N2CCCC3(CN(C(=O)C(N)=O)C3)C2)C1=O 981978503 AEIRBLVTPXLCPD-LBPRGKRZSA-N 320.393 -0.817 30 20 DBED C[C@H]1[C@H](NCC#N)CCN1C(=O)CN1CCCCS1(=O)=O 986569907 CLAPGKOWHQVEGN-NWDGAFQWSA-N 314.411 -0.485 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](CN(C)C(=O)c2cn(C)nn2)C1 988289951 ZHAUHERHFKFFMG-MNOVXSKESA-N 304.354 -0.105 30 20 DBED C=C1CC(C)(C(=O)N2CC[C@@H](NC(=O)c3nc[nH]n3)[C@@H](O)C2)C1 991677643 XMVPQXOFTMKQPL-MNOVXSKESA-N 319.365 -0.147 30 20 DBED C[C@H](C#N)C(=O)N1CC(N2C[C@H](NC(=O)C(C)(C)F)CC2=O)C1 995474182 PXQQNLIEWRWVIT-NXEZZACHSA-N 324.356 -0.178 30 20 DBED C=C(C)CN[C@@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)CC1(C)C 995822479 CNVDEPKBLGLLJI-LLVKDONJSA-N 320.397 -0.220 30 20 DBED C=C(Cl)CNC1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)CC1 996687219 VPLAHPWMOMJKIL-JTQLQIEISA-N 314.773 -0.082 30 20 DBED C#CCNC1CC(N(C)C(=O)CN2CCCCS2(=O)=O)C1 999124372 ABTBRIAXLYCQCM-UHFFFAOYSA-N 313.423 -0.376 30 20 DBED C=CCn1cc(C(=O)N2CC(CNC(=O)c3cocn3)C2)nn1 1001209419 LOSTUVBPOXLXGL-UHFFFAOYSA-N 316.321 -0.046 30 20 DBED C=C(Cl)CN1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 1014499960 GGIYDOIABRWARG-VIFPVBQESA-N 312.761 -0.680 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CCN(C(=O)CS(C)(=O)=O)[C@@H]2C1 1021186059 OWANWLLWYXPQGO-GARJFASQSA-N 313.379 -0.750 30 20 DBED CC#CCN1C[C@H]2[C@H](NC(=O)[C@]34C[C@H]5C[C@H](C(=O)N3)[C@H]4C5)[C@H]2C1 1025824952 SEIJQEJODHUBPI-KTDVTOOXSA-N 313.401 -0.029 30 20 DBED C#CCN(C)[C@@H]1CCCN(C(=O)CN2CCN(C)C(=O)C2)C1 1027471671 UWOZVPCQHTYABC-CQSZACIVSA-N 306.410 -0.684 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2Cc1nc(=O)n(C)[nH]1 1029244586 JFENDRQZHQPFLN-MXWKQRLJSA-N 304.354 -0.557 30 20 DBED C#CCN1CC(NC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1 1030948255 FPZONYMDYAPRQR-UONOGXRCSA-N 305.378 -0.410 30 20 DBED C#CCCN1CCO[C@@H](CNC(=O)c2nnn(C(C)(C)C)n2)C1 1035383269 WFVXQJQNDDCIAZ-LBPRGKRZSA-N 320.397 -0.118 30 20 DBED C#CCCN1CCO[C@H](CNC(=O)[C@H]2CCCN2C(C)=O)C1 1035617249 UWDNLKRRNXGDBT-HUUCEWRRSA-N 307.394 -0.162 30 20 DBED CC#CCN1CC2(CCN(C(=O)c3nnc(O)nc3O)CC2)C1 1035744941 LXLMRBXUSOPGPM-UHFFFAOYSA-N 317.349 -0.156 30 20 DBED Cc1nn(CC(=O)N2CC[C@@H](NCC#N)[C@@H](C)C2)c(=O)n1C 1036275724 KIQHTEHOXVXDBG-CMPLNLGQSA-N 306.370 -0.760 30 20 DBED CC#CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1coc(S(N)(=O)=O)c1 1037472333 KECIPSPKKINMTI-SUZMYJTESA-N 323.374 -0.247 30 20 DBED CC[C@H]1CN(C(=O)c2cnc(O)n(C)c2=O)CC[C@H]1NCC#N 1037901754 DBBKDTPFVTXLIO-CMPLNLGQSA-N 319.365 -0.160 30 20 DBED C[C@H](c1nnnn1C)N1CC[C@@H]1CNC(=O)c1ccc(C#N)[nH]1 1038172637 JCLAORPTZYBGQQ-MWLCHTKSSA-N 314.353 -0.025 30 20 DBED C=C(C)CN1CC[C@@H]1CNC(=O)C1CC2(C1)NC(=O)NC2=O 1038801880 POTYQBWTBLQRIZ-LOIXOFCESA-N 306.366 -0.259 30 20 DBED CC(C)C#CC(=O)NC[C@]1(O)CCN(C(=O)CC(C)(C)O)C1 1039663789 JIXBRSOAAFWRSN-MRXNPFEDSA-N 310.394 -0.114 30 20 DBED C#CCOCCC(=O)NC[C@@]1(O)CCN(C(=O)C2(C)CC2)C1 1039720982 GYVCBVHAVSJPPE-INIZCTEOSA-N 308.378 -0.094 30 20 DBED Cc1cnn(C)c1C(=O)NC[C@@]1(O)CCN(C(=O)[C@@H](C)C#N)C1 1040597129 KRBZQTYFYYMIRS-BONVTDFDSA-N 319.365 -0.419 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)c2ccns2)C1 1040758990 CUDRJLICEAWDDA-ZANVPECISA-N 308.363 -0.004 30 20 DBED CC(C)C#CC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2CCOC2)C1 1040792146 ZPOGKJSXHYSMKX-CZUORRHYSA-N 308.378 -0.238 30 20 DBED Cn1ncc(C(=O)N[C@@H]2CN(c3ccc(C#N)cn3)C[C@H]2O)n1 1041095235 QNRKEBZRODYXSB-VXGBXAGGSA-N 313.321 -0.939 30 20 DBED N#CCN1CC[C@@]2(CCN(C(=O)C[C@H]3CC(=O)NC3=O)C2)C1 1041861821 UNLSWUCGUBUSRF-IAQYHMDHSA-N 304.350 -0.513 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)c2nccnc2N)C1 1042178853 SGCNSOPAELYLFV-UHFFFAOYSA-N 317.349 -0.979 30 20 DBED Cn1ccc(C(=O)NCC2(O)CN(C(=O)CSCC#N)C2)c1 1042537706 QPHRRTDNRXAWGZ-UHFFFAOYSA-N 322.390 -0.415 30 20 DBED C=CCC(CC=C)C(=O)NCC1(O)CN(C(=O)CNC(N)=O)C1 1043187537 ILGHMPSGCFYQDW-UHFFFAOYSA-N 324.381 -0.887 30 20 DBED C=C(C)CCC(=O)NCC1(O)CN(C(=O)C2=COCCO2)C1 1043312341 RIVVGIAZVZDPGT-UHFFFAOYSA-N 310.350 -0.080 30 20 DBED C=C(C)CCC(=O)NCC1(O)CN(C(=O)c2cnc(O)n2C)C1 1043315322 NJGIXGBTNMPKGI-UHFFFAOYSA-N 322.365 -0.215 30 20 DBED CCn1nc(C)c(C(=O)NCC2(O)CN(C(=O)[C@@H](C)C#N)C2)n1 1043723903 OYRYMSNZZGUFOZ-VIFPVBQESA-N 320.353 -0.931 30 20 DBED Cc1ocnc1C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1043845433 RKBJNNZCFDKLAE-MNOVXSKESA-N 314.305 -0.376 30 20 DBED Cc1nc[nH]c1C(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@@H]1O 1044034965 JQMIRCMISGXUNM-NEPJUHHUSA-N 312.333 -0.036 30 20 DBED C=CCN[C@H]1CCN(C(=O)CN2CCN(C)C(=O)C2)[C@H](C)C1 1044659892 QYDDPJRANPAKMV-KGLIPLIRSA-N 308.426 -0.085 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)CN(C)C2CCC2)C1 1045565489 YJGQWNZKBYNNQQ-NSHDSACASA-N 308.382 -0.680 30 20 DBED C#CCCN1CC[C@H](N2CCN(C(=O)[C@H]3COC(=O)N3)CC2)C1 1046025354 XHAWISYYHWTOIF-UONOGXRCSA-N 320.393 -0.663 30 20 DBED C=CCn1cc(C(=O)N[C@]2(C)CCN([C@H](CC)C(N)=O)C2)nn1 1046680750 HSMVWDXBYNOEDZ-IUODEOHRSA-N 320.397 -0.078 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCN(C)C2=O)C1 1047494524 PKBKECNGBXGWGR-WOPDTQHZSA-N 315.801 -0.279 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3cccnn23)C1 1047555675 LSVCZXBXPQDNLE-KBPBESRZSA-N 313.361 -0.130 30 20 DBED C=C[C@@](C)(O)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2ccc[nH]2)C1 1048226796 SPOYMIAEFGIIJZ-HEHGZKQESA-N 321.377 -0.015 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cc2cnn(C)c2)C1 1048510380 MRBGHUVVPXCABK-KBPBESRZSA-N 320.393 -0.041 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2COCCN2CCCO)nc1 1051215709 ZFSCLQQIUDPLMW-CQSZACIVSA-N 303.362 -0.124 30 20 DBED C=CC(C)(C)C(=O)N1CCO[C@H](CN[C@@H]2CCC(=O)NC2=O)C1 1051752587 MLRQHMIFCIDBKH-VXGBXAGGSA-N 323.393 -0.179 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](C)[C@H](CNC(=O)CNC(N)=O)C1 1052527932 AQMNGOQMBOLHNA-VXGBXAGGSA-N 308.382 -0.475 30 20 DBED C#CCN1CC2(C1)CN(C(=O)c1cn(CC=C)nn1)CCO2 1053464050 XMJGQDZDFLFJPH-UHFFFAOYSA-N 301.350 -0.376 30 20 DBED C[C@H](O)CN1CC2(C[C@H](NC(=O)c3ccc(C#N)[nH]3)CO2)C1 1053781465 KURKMNIMOZCPID-JQWIXIFHSA-N 304.350 -0.160 30 20 DBED COc1c(C(=O)N[C@H]2COC3(C2)CN(CC#N)C3)c(C)nn1C 1053945473 XKDAHHRNWZWERP-LLVKDONJSA-N 319.365 -0.166 30 20 DBED COCC(=O)N[C@@]1(CO)CCCN(C(=O)c2cc(C#N)c[nH]2)C1 1055705331 JUQYRKWWLIDFDS-HNNXBMFYSA-N 320.349 -0.384 30 20 DBED C=CCCCC(=O)N1CCC[C@@](CO)(NC(=O)CC(N)=O)C1 1055848173 BSWJPUWZNOCVCJ-OAHLLOKOSA-N 311.382 -0.312 30 20 DBED N#Cc1ccc(N2CCN(C(=O)C[C@H]3CCC(=O)N3)CC2)nn1 1055849434 XPXHXLLFHYOVGU-LLVKDONJSA-N 314.349 -0.334 30 20 DBED CCn1cc(C(=O)NC2[C@H]3CN(c4cnc(C#N)cn4)C[C@H]23)nn1 1056279859 CVBKYDZBDHOVTH-QWRGUYRKSA-N 324.348 -0.176 30 20 DBED N#Cc1cnc(N2C[C@@H]3C(NC(=O)Cc4nc[nH]n4)[C@H]3C2)cn1 1056296269 GUEUCIMRABJRLI-UWVGGRQHSA-N 310.321 -0.740 30 20 DBED Cc1cc(C(=O)N(CCO)CCNC(=O)C#CC2CC2)no1 1056906033 WRUVTWFXUXUUSQ-UHFFFAOYSA-N 305.334 -0.053 30 20 DBED N#Cc1cnc(N2CCCN(C(=O)[C@H]3CCC(=O)N3)CC2)cn1 1057105997 JVYYAWFLUAIMGZ-GFCCVEGCSA-N 314.349 -0.334 30 20 DBED N#Cc1ccc(N2CCCN(C(=O)[C@@H]3COC(=O)N3)CC2)nn1 1057132736 ZSIXYKGXRCJNQL-NSHDSACASA-N 316.321 -0.505 30 20 DBED Cn1nnc(C(=O)N2CCCN(c3ncccc3C#N)CC2)n1 1057212336 WXKJQBLAMVUXRI-UHFFFAOYSA-N 312.337 -0.171 30 20 DBED C=CC(C)(C)C(=O)NCCN(CCO)C(=O)[C@@H](C)n1cncn1 1057383201 LSUZIKVMIGGPNH-GFCCVEGCSA-N 323.397 -0.012 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(CCO)CCNC(=O)COC 1057723940 OWYLGIXIYOQLQY-JSGCOSHPSA-N 314.382 -0.449 30 20 DBED CN1CC[C@H](C(=O)N[C@@H]2CCN(c3cncc(C#N)n3)C2)C1 1058373931 SVVBSVCKIODFMG-NWDGAFQWSA-N 300.366 -0.005 30 20 DBED N#Cc1nccc(N2CC[C@H](NC(=O)C3CS(=O)(=O)C3)C2)n1 1058456540 QJJYCGZKDVDCMG-JTQLQIEISA-N 321.362 -0.912 30 20 DBED CN1C[C@H](C(=O)N[C@H]2CCN(c3ccc(C#N)nn3)C2)CC1=O 1058578486 VGFWYRCTCYAEDO-PWSUYJOCSA-N 314.349 -0.479 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)[C@@H](OC)C(C)C 1058718246 ZTOMSMRFFFFRPO-AWEZNQCLSA-N 316.398 -0.203 30 20 DBED C#Cc1cncc(C(=O)N(CCO)CCNC(=O)[C@@H](C)OC)c1 1058777622 NVXZAIOGQJVLPB-GFCCVEGCSA-N 319.361 -0.352 30 20 DBED N#Cc1nc(=N[C@H]2CCN(C(=O)c3cnns3)C2)cc[nH]1 1058842181 VGDXMXIKWNGRLU-QMMMGPOBSA-N 301.335 -0.052 30 20 DBED N#CCSCC(=O)N[C@H]1CC[C@H](CNC(=O)C(N)=O)CC1 1060669172 YAHZOYMBTWFOPP-MGCOHNPYSA-N 312.395 -0.480 30 20 DBED NC(=O)NCC(=O)N1CCC2(CC1)CN(C(=O)C#CC1CC1)C2 1060999462 RHZMSTAFRRGZPA-UHFFFAOYSA-N 318.377 -0.481 30 20 DBED C#CCOCCC(=O)N1CCOC[C@H]1CNC(=O)c1ccon1 1061350348 QSJARJHTXQPPNM-GFCCVEGCSA-N 321.333 -0.328 30 20 DBED O=C(Cn1nccn1)NC[C@H]1COCCN1C(=O)C#CC1CC1 1061616783 RWSOHXLKWURFOQ-ZDUSSCGKSA-N 317.349 -0.965 30 20 DBED Cn1ncc(C(=O)NC[C@@H]2CCN(c3cncc(C#N)n3)C2)n1 1061623620 XDKCPKSLAJOGRN-JTQLQIEISA-N 312.337 -0.267 30 20 DBED CC#CCCCC(=O)NC[C@H]1COCCN1C(=O)c1nc[nH]n1 1061790278 FVYBSHMLCZCGJG-LBPRGKRZSA-N 319.365 -0.045 30 20 DBED C=CCCC(=O)N1CCOC[C@H]1CNC(=O)[C@]1(C)CCNC1=O 1061903702 IGEDLIJMWRYCJD-MLGOLLRUSA-N 323.393 -0.178 30 20 DBED Cc1cc(C#N)nc(N2C[C@@H]3C[C@H]2CN3C(=O)c2cnn(C)n2)n1 1062508723 TTYCTTSOSGNNQS-RYUDHWBXSA-N 324.348 -0.112 30 20 DBED C=CCOCC(=O)NCC1(NC(=O)c2c[nH]c(=O)cn2)CCC1 1062703286 ZMMKXIMWUDTODR-UHFFFAOYSA-N 320.349 -0.259 30 20 DBED Cc1cc(=NC[C@H]2CCC[C@@H]2NC(=O)C(N)=O)c(C#N)c[nH]1 1064133655 KHYIHZOASZPDOR-PWSUYJOCSA-N 301.350 -0.134 30 20 DBED C[C@@]1(NC(=O)[C@@H]2COCCO2)CCN(c2cnc(C#N)cn2)C1 1065210007 IWRHASHXGKCNFA-SWLSCSKDSA-N 317.349 -0.151 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)CCn2cncn2)C1 1065557910 WURJBFIMZIVREU-RYUDHWBXSA-N 320.353 -0.829 30 20 DBED N#Cc1nccnc1N1CC[C@H]2[C@H]1CCCN2C(=O)C(N)=O 1066182899 JONWFPNBXOPINN-MNOVXSKESA-N 300.322 -0.597 30 20 DBED N#Cc1cncc(N2CCOC[C@@H]2CNC(=O)c2nc[nH]n2)n1 1066495527 RGZXIGUKTXWXQY-JTQLQIEISA-N 314.309 -0.898 30 20 DBED CN(CCCN(C)C(=O)[C@H]1CCC(=O)N1)C(=O)C#CC1CC1 1067004141 PHAJDUUGAKZHCE-CYBMUJFWSA-N 305.378 -0.015 30 20 DBED N#Cc1ccc(N2C[C@H](CNC(=O)c3cnn[nH]3)[C@@H](O)C2)cn1 1067697080 AVGANERUXGVKBG-ZANVPECISA-N 313.321 -0.702 30 20 DBED Cn1nncc1C(=O)NCC1[C@@H]2CN(c3ccnc(C#N)n3)C[C@@H]12 1068171994 HRXAMJCEOCIQDL-QWRGUYRKSA-N 324.348 -0.411 30 20 DBED C[C@H]1C[C@H](Nc2ccc(C#N)nn2)CN1C(=O)Cn1ncnn1 1069151601 HNIFVNCAGJXSOC-ONGXEEELSA-N 313.325 -0.564 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H]2CCC(=O)N2)C1 1069903140 HCMKITFRPARQRI-UTUOFQBUSA-N 304.354 -0.916 30 20 DBED C[C@@H](CC(=O)N[C@@H]1CCCN(C(=O)C#CC2CC2)C1)NC(N)=O 1070707617 CFIXKSHXBIALSP-WCQYABFASA-N 320.393 -0.046 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)[C@@H]2CCCNC2=O)CC1 1070971628 JGETUVIKVGVEOH-CYBMUJFWSA-N 322.409 -0.651 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)CNC(=O)CC)C[C@H]1C 1071816314 VLIKEGASUGOHRJ-VXGBXAGGSA-N 311.382 -0.322 30 20 DBED C#CCOCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)c2ncn(C)n2)C1 1072097871 SCCPKODXVSHYGA-NEPJUHHUSA-N 319.365 -0.568 30 20 DBED C#CCOCCC(=O)NC1(C)CCN(C(=O)CNC(N)=O)CC1 1072860115 FVSGIYUHLCFVLA-UHFFFAOYSA-N 324.381 -0.808 30 20 DBED CC1(NC(=O)CC(N)=O)CCN(C(=O)c2c[nH]c(C#N)c2)CC1 1072962138 JQMCORGOOOMLBN-UHFFFAOYSA-N 317.349 -0.127 30 20 DBED C#CCO[C@@H](C)C(=O)NC1(C)CCN(C(=O)CC(=O)NC)CC1 1072974272 SNXHJCWMJMCADS-LBPRGKRZSA-N 323.393 -0.342 30 20 DBED C[C@H](C#N)C(=O)NC1(C)CCN(C(=O)CCNC(N)=O)CC1 1073017994 JSZYYVVSCPBLDC-SNVBAGLBSA-N 309.370 -0.298 30 20 DBED N#CCN1CCO[C@@H]2CCN(C(=O)c3ccc(C(N)=O)o3)C[C@@H]21 1074292363 UCUXKQDUZOUOBK-WDEREUQCSA-N 318.333 -0.183 30 20 DBED C=CCCC(=O)NCC1(O)CCN(C(=O)Cn2cnnn2)CC1 1074461463 PNWXQNPHOYDTEY-UHFFFAOYSA-N 322.369 -0.891 30 20 DBED C=CCOCC(=O)NCC1(O)CCN(C(=O)c2ncc[nH]2)CC1 1074577441 NWZWBNQQJRIODN-UHFFFAOYSA-N 322.365 -0.304 30 20 DBED C=C[C@](C)(O)CC(=O)NCC[C@H](C)NC(=O)CN(C)C(C)=O 1076300217 BQQIKCDWTHPPGC-NHYWBVRUSA-N 313.398 -0.197 30 20 DBED CC(C)C#CC(=O)NCC[C@H](C)NC(=O)[C@@H]1CN(C)C(=O)N1 1076414864 OIXQNUIGLPLNCS-RYUDHWBXSA-N 308.382 -0.320 30 20 DBED C[C@@H](CCNC(=O)C#CC1CC1)NC(=O)[C@@H]1CN(C)CCO1 1076423682 UKOMEILPCWHNMA-JSGCOSHPSA-N 307.394 -0.259 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC(=O)N(CC(C)C)C2)C1 1077087449 IQCWBWSTXYMRJA-RRFJBIMHSA-N 321.421 -0.325 30 20 DBED C#CCOCCC(=O)N[C@@H](C)CCNC(=O)[C@@]1(C)CCNC1=O 1078452844 IWYHOUQHDFCJEV-BLLLJJGKSA-N 323.393 -0.437 30 20 DBED C#CCCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)Cc2cnc[nH]2)C1 1081800349 NKSFUBNGFZPNRD-GXTWGEPZSA-N 318.377 -0.309 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1ccc2nnnn2c1 1081940238 BYOMJFHXWICHMI-GHMZBOCLSA-N 301.310 -0.923 30 20 DBED C=CCOCC(=O)NC[C@@H]1CCCCN1C(=O)[C@H]1CCC(=O)N1 1081957640 BHJOLDXBHUAROT-QWHCGFSZSA-N 323.393 -0.035 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CC(=O)N(CCC)C1 1083209077 PXULMUSHCFDEKT-SOUVJXGZSA-N 319.405 -0.210 30 20 DBED C=CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cccc(C(N)=O)n1 1083286863 HJKCSNOEWMMBGU-UONOGXRCSA-N 316.361 -0.108 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2c[nH]nc2[C@@H]2CCCO2)C1 1083721432 CAZPWIMFFKNCAQ-WOPDTQHZSA-N 305.338 -0.440 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2ccc3c(c2)nc(O)n3C)C1 1084095044 PPBPNLGJANUKRP-OCCSQVGLSA-N 314.345 -0.313 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)c3cn(CCOC)nn3)C[C@@H]2C1 1087962883 OODRTQGUSURAQU-KGLIPLIRSA-N 317.393 -0.048 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(c2nccc(C)n2)C[C@H]1O 1090417765 GGPYCORLHCTDCP-JMSVASOKSA-N 306.366 -0.222 30 20 DBED COCCOCC(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@@H]1O 1091079241 MSZHAXLZYRJPDG-OLZOCXBDSA-N 320.349 -0.718 30 20 DBED CC(C)(C)C(=O)C(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1091081785 LHJOMACGDXQIOX-MNOVXSKESA-N 317.349 -0.371 30 20 DBED CC#CCN1C[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@]2(C)C1 1092010217 WEFMAGSGAOGRSO-OEUWWYETSA-N 319.405 -0.177 30 20 DBED C=CCn1cc(C(=O)N2C[C@H]3CN(CCO)C[C@@]3(C)C2)nn1 1092079657 SCXXQLPQXYQRGN-DOMZBBRYSA-N 305.382 -0.150 30 20 DBED C[C@H](CC(N)=O)C(=O)N1CCN(c2nccnc2C#N)CC1 1093194513 ONPQCEALEIWSQZ-SNVBAGLBSA-N 302.338 -0.492 30 20 DBED CN(C)CCC(=O)N[C@H]1[C@@H]2CN(c3nccnc3C#N)C[C@@H]21 1093341332 GJMLBAPDCTUYNB-YABSGUDNSA-N 300.366 -0.149 30 20 DBED Cn1cnc2c(C(=O)NCCN=c3cc[nH]c(C#N)n3)ccnc21 1094109397 FXNTULVKEJEFAL-UHFFFAOYSA-N 322.332 -0.106 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CC(=O)N(C3CN(CCF)C3)C2)c[nH]1 1094720833 ALFKSTUUSDGVPW-GFCCVEGCSA-N 319.340 -0.129 30 20 DBED C#CCCN1CC(N2C[C@@H](NC(=O)C3CC(OC)C3)CC2=O)C1 1094747419 RWEQMSBEAJJOMP-OWYJLGKBSA-N 319.405 -0.164 30 20 DBED C=CCCN1CC(N2C[C@@H](NC(=O)c3cnn(C)n3)CC2=O)C1 1094795511 RCZWHEVDHCWMIR-NSHDSACASA-N 318.381 -0.594 30 20 DBED CCC(=O)N[C@@H](C)C(=O)NCCCN=c1cc[nH]c(C#N)n1 1094842779 QKYGNUBZMRYOEQ-JTQLQIEISA-N 304.354 -0.397 30 20 DBED CCNC(=O)CC(=O)NCCCN(C)c1cncc(C#N)n1 1095541389 VOSFAWSOZBMMTC-UHFFFAOYSA-N 304.354 -0.183 30 20 DBED CCN(CCCNC(=O)Cn1nccn1)c1ccc(C#N)nn1 1095924465 JCTMZZNDGSGLEM-UHFFFAOYSA-N 314.353 -0.027 30 20 DBED C[C@@H](CC(N)=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)nn2)C1 1096218144 CGTVDSCIBHLCHV-JQWIXIFHSA-N 316.365 -0.055 30 20 DBED CC(=O)N[C@H](C)C(=O)N[C@H]1CCN(c2ccc(C#N)nn2)C1 1096317734 YPKVLIOXPWOFCG-SKDRFNHKSA-N 302.338 -0.432 30 20 DBED N#Cc1cncc(N[C@@H](CNC(=O)[C@@H]2CNC(=O)N2)C2CC2)n1 1096800624 LHDUKUBCNAVEKB-QWRGUYRKSA-N 315.337 -0.664 30 20 DBED CNC(=O)NCCC(=O)N[C@H]1C[C@@H](N=c2cc[nH]c(C#N)n2)C1 1097179644 HKPZQBNWCKWFMM-AOOOYVTPSA-N 317.353 -0.852 30 20 DBED C[C@H](CNC(=O)[C@@H]1CCS(=O)(=O)N1)Nc1ccc(C#N)cn1 1097874560 JCXOWPDSEAPRKZ-KOLCDFICSA-N 323.378 -0.438 30 20 DBED C[C@@H](CNC(=O)CCn1cnnn1)Nc1ccc(C#N)nn1 1098010511 ABYRZCVEEAQQAP-VIFPVBQESA-N 301.314 -0.658 30 20 DBED C[C@H](CNC(=O)[C@H]1CCC(=O)NC1)N=c1cc[nH]c(C#N)n1 1098397397 MNGDNBAXHCPDGT-ZJUUUORDSA-N 302.338 -0.787 30 20 DBED CCN1CCO[C@@H](C(=O)N2CCC(N(CC#N)CCO)CC2)C1 1098566921 VOASVOZZHNFCBY-OAHLLOKOSA-N 324.425 -0.484 30 20 DBED C=C(C)CCNCc1cn([C@H]2CCN(C(=O)CC(N)=O)C2)nn1 1098640187 GACBSXGITSTUFY-ZDUSSCGKSA-N 320.397 -0.017 30 20 DBED COCCOCCN1CC[C@@H](NC(=O)C#CC2CC2)[C@H](O)C1 1099826346 KBSZYQQWTFZYOJ-HUUCEWRRSA-N 310.394 -0.386 30 20 DBED C#CCOCCC(=O)N[C@H]1CCN(Cc2cnn(C)c2)C[C@@H]1O 1099832853 NOQSYGARQZHJHZ-GJZGRUSLSA-N 320.393 -0.489 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1CCN(CC(=O)N2CCC2)C[C@H]1O 1099944027 IPTBONQLNYKOMD-CHWSQXEVSA-N 309.410 -0.018 30 20 DBED COC[C@]1(C(=O)NCCN(C)c2cnc(C#N)cn2)CCOC1 1100238587 LIXXCXUEQKEBLF-OAHLLOKOSA-N 319.365 -0.046 30 20 DBED CN(CCNC(=O)c1cnc(O)n1C)c1nccnc1C#N 1100270445 REMDLRRVEWJJDL-UHFFFAOYSA-N 301.310 -0.346 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1CC(NCC(=O)N2CCC2)C1 1100322499 KPHDIFLMHSQRTE-HSBZDZAISA-N 307.394 -0.259 30 20 DBED CC#CCNC1CC(CNC(=O)[C@H]2CCN(C)S2(=O)=O)C1 1100747383 JLTHZZGWCCLOAQ-WXRRBKDZSA-N 313.423 -0.472 30 20 DBED CS(=O)(=O)CC(=O)NC[C@H]1CCCN1c1cnc(C#N)cn1 1100800723 KEXLZECZKPUWED-LLVKDONJSA-N 323.378 -0.522 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CCN(c2ccc3nnnn3n2)C1 1100950003 LZCQSRFMZDJJTD-UWVGGRQHSA-N 300.326 -0.379 30 20 DBED N#Cc1ccc(N2CC[C@H](CNC(=O)Cn3ncnn3)C2)cn1 1101017537 IJRMXCOZKWJFCK-LLVKDONJSA-N 312.337 -0.418 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@H]1CC2(CN(CCO)C2)n2ccnc21 1101626064 VBVAFGNPBDMQSZ-SWLSCSKDSA-N 320.393 -0.226 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1CNC(=O)CN(C)S(C)(=O)=O 1102017744 QBPGEDTVPHKKBS-GHMZBOCLSA-N 302.400 -0.915 30 20 DBED C#CCN1C[C@@H](C)[C@H](CNC(=O)[C@@H](C)CS(C)(=O)=O)C1 1102603313 ZMNOAEYMFBFKIH-FRRDWIJNSA-N 300.424 -0.016 30 20 DBED CC[C@@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)N=c1cc[nH]c(C#N)n1 1103306069 VPPBVLYBLDFEGT-AEJSXWLSSA-N 302.338 -0.802 30 20 DBED CC[C@@H](CNC(=O)[C@H]1CCC(=O)NC1)N=c1cc[nH]c(C#N)n1 1103368149 UGSIPQPDHODZIZ-QWRGUYRKSA-N 316.365 -0.397 30 20 DBED C[C@H](CN=c1cc[nH]cc1C#N)CNC(=O)[C@H]1COCCO1 1103880264 WXZXOAUTKRJRQB-BXUZGUMPSA-N 304.350 -0.045 30 20 DBED C[C@@H](CNC(=O)[C@H]1CN(C)CCO1)CNc1nccnc1C#N 1103890357 VRGBOLHBQFBPFI-DGCLKSJQSA-N 318.381 -0.157 30 20 DBED C[C@H](CNC(=O)Cn1cncn1)CNc1nccnc1C#N 1103969306 OAWVHZWTOWHAFP-SNVBAGLBSA-N 300.326 -0.196 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)C(C)(C)C(N)=O 1104120056 VFAMUGGRGAPDQZ-VIFPVBQESA-N 304.354 -0.554 30 20 DBED COC(=O)NCC(=O)N(C)[C@H](C)CN=c1cc[nH]cc1C#N 1104475158 CDBSVDJDODZGGM-SNVBAGLBSA-N 305.338 -0.010 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)c1cnnn1C 1104545207 NFDAPLUHFBBFKW-SECBINFHSA-N 300.326 -0.529 30 20 DBED C=CCNCc1cn(C2CN(C(=O)c3cnn(CC)n3)C2)nn1 1105230497 JMWNMDPVTDLJLQ-UHFFFAOYSA-N 316.369 -0.138 30 20 DBED C=C(C)CNCc1cn(C2CN(C(=O)[C@@H]3CCNC3=O)C2)nn1 1105297124 HUQVHBULVQLPLV-CYBMUJFWSA-N 318.381 -0.537 30 20 DBED CN(CCN(C)c1ccnc(C#N)n1)C(=O)C1(C(N)=O)CC1 1105543090 JNPBBQIHAWNZOM-UHFFFAOYSA-N 302.338 -0.492 30 20 DBED N#Cc1c(F)cccc1NC[C@H](O)CNC(=O)Cn1cnnn1 1105715928 DWAXXSMABBGVKY-VIFPVBQESA-N 319.300 -0.727 30 20 DBED N#Cc1cccnc1NC[C@H](O)CNC(=O)CN1CCCC1 1105855758 KUPQCLSNHVPBMK-CYBMUJFWSA-N 303.366 -0.062 30 20 DBED N#Cc1cnc(NC[C@@H](O)CNC(=O)c2cnn[nH]2)c(Cl)c1 1106172256 XDJUWNSTUDIRAR-MRVPVSSYSA-N 321.728 -0.072 30 20 DBED Cc1nnccc1C(=O)NC[C@@H](O)CNc1cnc(C#N)cn1 1106173538 VYVULQPTCLNTBQ-NSHDSACASA-N 313.321 -0.351 30 20 DBED C[C@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)[C@@H]1CCNC(=O)C1 1106252536 IZNGPSPCCAAJIT-GHMZBOCLSA-N 316.365 -0.397 30 20 DBED C[C@@H]1CN(C(=O)CCN2C(=O)CCC2=O)C[C@H]1CNCC#N 1106392380 QUXDQFAZIMKVNI-VXGBXAGGSA-N 306.366 -0.267 30 20 DBED N#Cc1nccnc1NC/C=C/CNC(=O)[C@@H]1CCCNC1=O 1107389540 MVZLDFAIWIPVOY-GXFZAYBSSA-N 314.349 -0.041 30 20 DBED CC#CCN1CCO[C@@](C)(CNC(=O)c2cc(=O)n(C)o2)C1 1107898291 AOLJKBSTKUNIJL-HNNXBMFYSA-N 307.350 -0.178 30 20 DBED COCC(=O)NCCC(=O)N[C@H](C)CNc1nccnc1C#N 1108166463 CIEJZEZVTUBFBD-SNVBAGLBSA-N 320.353 -0.582 30 20 DBED CN1CCCC[C@H](C(=O)NC[C@]2(C)CN(CC#N)CCO2)C1=O 1108338474 ISYXDBMZQLHRRT-CZUORRHYSA-N 322.409 -0.024 30 20 DBED CCc1nc(C#N)cc(NC[C@H](C)NC(=O)Cn2ncnn2)n1 1108539961 CXXWPBWEMGWLSR-VIFPVBQESA-N 315.341 -0.486 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H]2C[C@H](NCCCO)C[C@H]1C2 1108665463 YMUXMEAZDMNMRE-MELADBBJSA-N 307.394 -0.523 30 20 DBED C[C@@H](CN(C)c1ccc(C#N)nn1)NC(=O)[C@@H]1CCCNC1=O 1109128298 NTTCJUVSLAQCFU-CMPLNLGQSA-N 316.365 -0.185 30 20 DBED CN(CCCNc1cnc(C#N)cn1)C(=O)Cn1cnnn1 1109375223 RSRYVBYVMSLIBB-UHFFFAOYSA-N 301.314 -0.705 30 20 DBED N#Cc1cnc(NC[C@@H](NC(=O)[C@@H]2CCNC2=O)C2CC2)cn1 1109945272 DZUKPJMAJJHNJS-VXGBXAGGSA-N 314.349 -0.209 30 20 DBED C[C@]1(NC(=O)Cn2cncn2)CCN(c2ccnc(C#N)n2)C1 1110760038 AIKJHSRYXMFQGS-AWEZNQCLSA-N 312.337 -0.275 30 20 DBED C=CCOCC(=O)N(CCO)CCNc1cncc(C#N)n1 1111445256 SMUKEFRFHPKJSN-UHFFFAOYSA-N 305.338 -0.216 30 20 DBED C=CCOCC(=O)NC[C@@H]1COCCN1c1cnc(C#N)cn1 1111670945 APANWTOLUHSAMD-CYBMUJFWSA-N 317.349 -0.128 30 20 DBED Cc1nscc1C(=O)N1CCN(CC(=O)NCC#N)CC1 1112770738 XOYOSCKARDFMGL-UHFFFAOYSA-N 307.379 -0.151 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)CCCC(=O)NC)CC1 1112773287 HLQRPUVHGVGREZ-ZDUSSCGKSA-N 324.425 -0.262 30 20 DBED C[C@@H](N=c1cc[nH]c(C#N)n1)[C@@H](C)NC(=O)CC(=O)N(C)C 1113318848 DFLDWUUVRWFGBW-NXEZZACHSA-N 304.354 -0.446 30 20 DBED COCC#CCN1CCN(C(=O)[C@H]2COCCN2C(C)=O)CC1 1113651322 WZINNFGLLVEDTO-OAHLLOKOSA-N 323.393 -0.972 30 20 DBED C[C@@H](CNC(=O)[C@H]1CN(C)C(=O)N1)N(C)c1ccnc(C#N)n1 1113802630 QJAVJVCPPXVUFU-VHSXEESVSA-N 317.353 -0.687 30 20 DBED C[C@H](CNC(=O)[C@H]1CCC(=O)NC1)N(C)c1nccnc1C#N 1113961288 JOKICPGQFBKNAM-MNOVXSKESA-N 316.365 -0.185 30 20 DBED C=CCCO[C@H](C)C(=O)NC1[C@H]2CN(CC(=O)NC(N)=O)C[C@H]12 1113999066 IOTDJMWPNZUHPA-VWYCJHECSA-N 324.381 -0.791 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1[C@@H]2CN(C[C@@H]3CCCOC3)C[C@@H]21 1114160241 UKTUMTGVUZUZOI-SZOQZIPDSA-N 319.405 -0.401 30 20 DBED CCn1cc(C(=O)N[C@H]2[C@@H]3CN(CC#CCOC)C[C@@H]32)nn1 1115031455 XYOSQLJIUDDCGH-IMRBUKKESA-N 303.366 -0.392 30 20 DBED C=CCCN1C[C@@H]2C(NC(=O)COCc3nncn3C)[C@H]2C1 1115056173 VYTMNHCOKNIUCG-RYUDHWBXSA-N 305.382 -0.046 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)Cc3cncn3C)[C@H]2C1 1115118901 NWYBAARGTBZLKA-VIKVFOODSA-N 317.393 -0.689 30 20 DBED CN(CCOCCNC(=O)c1cn[nH]c1)c1nccnc1C#N 1115178093 MEIIJZRNHZEEAN-UHFFFAOYSA-N 315.337 -0.046 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)c3[nH]cnc3C)[C@H]2C1 1115356533 LPFDXEKPVFSIHR-CIQGVGRVSA-N 315.377 -0.484 30 20 DBED CCOC(=O)[C@@H](C)CNC(=O)C(=O)Nc1cnn(CC#N)c1 1116336426 AMVVTEBMGLUZJY-VIFPVBQESA-N 307.310 -0.339 30 20 DBED C=CCCCNC(=O)C(=O)N1CC[C@H](S(=O)(=O)NC)C1 1117543567 LOHHZBGKQYBEFX-JTQLQIEISA-N 303.384 -0.781 30 20 DBED C=CCN(CC(=O)N1CCNCC1)[C@@H]1CCS(=O)(=O)C1 1118261213 QBJXSJTWZMFHOL-GFCCVEGCSA-N 301.412 -0.907 30 20 DBED CN1CCC[C@H]1C(=O)NC[C@@H](CO)N=c1cc[nH]cc1C#N 1121239955 FSKSECVKVFXTQC-JSGCOSHPSA-N 303.366 -0.642 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)[C@@H]2CCCCO2)nn1 1121453738 DIQFELCIQXCPFV-NEPJUHHUSA-N 305.338 -0.194 30 20 DBED C=CCNC1CC2(C1)CC(NC(=O)CNS(=O)(=O)NC)C2 1121474851 MLWPYGGVSZBVFD-UHFFFAOYSA-N 316.427 -0.757 30 20 DBED C=CCO[C@@H](C)C(=O)NC[C@@H](CO)Nc1cncc(C#N)n1 1121757315 RRSXQYOUHSQOIJ-JQWIXIFHSA-N 305.338 -0.172 30 20 DBED CCCN(C)CCC(=O)NC[C@H](CO)Nc1ccc(C#N)nn1 1121841191 ZGVMQBVIBKSING-CYBMUJFWSA-N 320.397 -0.031 30 20 DBED Cc1nsc(N[C@H](CO)CNC(=O)c2nnn(C)n2)c1C#N 1122332065 BZJCYVDTJFKWDR-ZETCQYMHSA-N 322.354 -0.951 30 20 DBED N#Cc1cncc(N[C@@H](CO)CNC(=O)c2csnn2)n1 1122366365 ZYTOCXHLTYCFAM-MRVPVSSYSA-N 305.323 -0.597 30 20 DBED N#Cc1cccnc1N[C@@H](CO)CNC(=O)[C@@]1(F)CCOC1 1122411882 UFNHQSQINXIRPO-BXUZGUMPSA-N 308.313 -0.029 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)CNC(=O)CC 1124883582 SGGDKQDKEYJDFZ-UHFFFAOYSA-N 310.398 -0.581 30 20 DBED C#CCNC(=O)CC(=O)NCCNCc1nc(CCCC)no1 1125978626 VTTGNYVFOXAOJF-UHFFFAOYSA-N 321.381 -0.243 30 20 DBED COCCN(CCNC(=O)c1nc[nH]n1)c1nccnc1C#N 1126384044 LEIKEYPYENBMGO-UHFFFAOYSA-N 316.325 -0.651 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1c(C2CC2)cnn1C 1129176628 XXMKCNFSUZRSRR-UHFFFAOYSA-N 303.366 -0.634 30 20 DBED COCCCOCC(=O)N1C[C@@H]2C[C@@H]3CN(CC#N)C[C@]2(C1)O3 1131283575 VGGRKXHSFVDUCL-SQWLQELKSA-N 323.393 -0.135 30 20 DBED COCC1(CC(=O)N2CCC(=O)NCCN(CC#N)CC2)CC1 1131360178 LFSFJLGJSIEVEO-UHFFFAOYSA-N 322.409 -0.023 30 20 DBED N#CCNC(=O)CNCCNC(=O)C[C@@H]1CC[C@@H](C2CC2)O1 1131584843 FNOAOLSLJMKREL-STQMWFEESA-N 308.382 -0.320 30 20 DBED C=CC(C)(C)C(=O)NCCNC[C@H](O)CN1C(=O)CCC1=O 1132395467 BWXWORGGXBXVPJ-NSHDSACASA-N 311.382 -0.586 30 20 DBED C[C@@H](C[C@H](C)NC(=O)Cc1cc[nH]n1)NCC(=O)NCC#N 1133974553 NHNKTEYDZFXXDI-QWRGUYRKSA-N 306.370 -0.535 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1nn(C)c2c1CCCC2 1134129825 SZGWHWPLDANFIU-UHFFFAOYSA-N 319.409 -0.080 30 20 DBED Cc1nc(CC(=O)N[C@H](C)C[C@H](C)NCC(=O)NCC#N)n[nH]1 1134357646 YOFKALJIGMRBNU-VHSXEESVSA-N 321.385 -0.832 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)c2c[nH]c(C)cc2=O)C1=O 1146549528 GXLMAVZSPDSENB-CYBMUJFWSA-N 318.377 -0.210 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CN(Cc2nnnn2C)CCCO1 1149399281 RQQJLXZNINMLAB-MNOVXSKESA-N 307.358 -0.923 30 20 DBED N#CCNC(=O)CN1CCCO[C@H](CNC(=O)C=C2CCC2)C1 1149560493 UEXVPHOOYTXRSC-CQSZACIVSA-N 320.393 -0.056 30 20 DBED N#CCNC(=O)CNCCNC(=O)[C@H]1COc2ccccc2O1 1149844640 VPTXWZOSONYTAV-CYBMUJFWSA-N 318.333 -0.828 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)c1cnn(C)c1 1151875104 HAIFXFIBHKESTD-LLVKDONJSA-N 306.370 -0.500 30 20 DBED CCN(Cc1nnn(C)n1)[C@H](C)CNC(=O)CSCC#N 1151965277 HUKVBDLBLRKIOO-SNVBAGLBSA-N 311.415 -0.207 30 20 DBED CCN(CCC#N)C(=O)CNCCCNC(=O)Cn1cccn1 1154599621 GGMZQPBSBMYWKY-UHFFFAOYSA-N 320.397 -0.259 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)[C@H](CC)N(C)C 1155289098 JTGFUBOUIYRAAP-KGLIPLIRSA-N 310.442 -0.097 30 20 DBED C#CCN(CC)[C@H](C)CNC(=O)[C@H](CCC(N)=O)NC(C)=O 1155856845 OSFYVDSNVQWXAX-YPMHNXCESA-N 310.398 -0.784 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)C(=O)NCC1CC1 1156051695 UGOXARFKTJBTNW-GFCCVEGCSA-N 322.409 -0.911 30 20 DBED C#CCNC(=O)CC(=O)NCCCNCc1cnc(C)nc1 1156848111 SBAUGCYYNVSXBN-UHFFFAOYSA-N 303.366 -0.480 30 20 DBED N#CCNC(=O)CNCC1(CCNC(=O)C[C@@H]2CCOC2)CC1 1163904443 BSPFBMVWAVNAFQ-ZDUSSCGKSA-N 322.409 -0.071 30 20 DBED C#CCNC(=O)CC(=O)NCCC1(CN[C@H](C)C(=O)NC)CC1 1164182960 RBPPYXIDJZBHIR-GFCCVEGCSA-N 322.409 -0.864 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)c1cnc(C)n1C 1164570892 GRQBKXSFQLKJPW-LLVKDONJSA-N 305.382 -0.424 30 20 DBED CC#CCN[C@H]1CCN(C(=O)CCCN2C(=O)CNC2=O)[C@H]1C 1180100973 HQBUXFQWMXHZNV-STQMWFEESA-N 320.393 -0.079 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2ccnn2C)C1 1181461028 IFDSUSXAWUYEEZ-VXGBXAGGSA-N 305.382 -0.085 30 20 DBED C=CCNC(=O)CNC[C@@H]1CCN(C(=O)CC(N)=O)C[C@@H]1C 1184098198 IUYRURJZTSQSLH-RYUDHWBXSA-N 310.398 -0.762 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)c2conc2COC)C1 1187034938 QJCSIDPRWYPQET-LLVKDONJSA-N 322.365 -0.073 30 20 DBED CC(C)C#CC(=O)N1CC[C@H]2CN(CC(=O)NC(N)=O)C[C@H]21 1187841052 QDZACGOQLIFWHX-NWDGAFQWSA-N 306.366 -0.627 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)[C@H]2CCCOC2)C1 1189301121 QLZKUTJHBCGZAW-KBPBESRZSA-N 307.394 -0.305 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)C2=CCOCC2)C1 1189787674 PPIJBQVCSYSCAH-AWEZNQCLSA-N 305.378 -0.385 30 20 DBED CNC(=O)NC(=O)CN(C)[C@@H]1CCN(C(=O)C#CC(C)C)C1 1190046465 ISWLTVHUSHDSGX-GFCCVEGCSA-N 308.382 -0.366 30 20 DBED C=CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3nonc3C)[C@@H]2C1 1190486519 GJWFPOOWTVFDNQ-NWDGAFQWSA-N 319.365 -0.173 30 20 DBED C#CCCCC(=O)N[C@@H]1CN([C@@H](CCCC)C(N)=O)C[C@H]1O 1192518687 XENYFCDYINKENM-HZSPNIEDSA-N 309.410 -0.005 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)c2ccc(COC)o2)C1 1194526780 KINNQNDSWOHMCO-ZIAGYGMSSA-N 322.361 -0.149 30 20 DBED N#CCNC(=O)CN1CCCN(C(=O)c2cc[n+]([O-])cc2)CC1 1194725356 DLHONXZZOPJXBQ-UHFFFAOYSA-N 317.349 -0.892 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)[C@@H]2CCC(=O)NC2)CCCO1 1200865587 KNVLKDQQGNTQSB-ZIAGYGMSSA-N 307.394 -0.257 30 20 DBED COCC#CCNC[C@H]1CN(C(=O)CCN(C)C)CCCO1 1201335982 RUUGFHQENKKCBN-HNNXBMFYSA-N 311.426 -0.205 30 20 DBED C#CCNC[C@@H]1CN(C(=O)c2cccc(=O)n2C)CCCO1 1201380686 GAJQENRBZPZLBI-CYBMUJFWSA-N 303.362 -0.161 30 20 DBED CC(=O)N(C)CCCC(=O)N1CCCO[C@@H](CNCC#N)C1 1201959623 WOTKTALHSHNCSZ-AWEZNQCLSA-N 310.398 -0.024 30 20 DBED C#CCNC(=O)[C@@H](C)NCC1CCN(C(=O)[C@@H]2CCOC2)CC1 1204705978 XCYLGZIWCNTDKT-UKRRQHHQSA-N 321.421 -0.011 30 20 DBED N#CCNCC1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)CC1 1206871718 XPTWZVGNDJVPFR-UHFFFAOYSA-N 315.337 -0.617 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)c2ccoc2)[C@H](OC)C1 1211844720 IVGTYYUHXCZSJI-MRVWCRGKSA-N 319.361 -0.154 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(Cc2cnn(C)n2)C[C@H]1OC 1212187511 WWCFPTOLVUAYPO-ZIAGYGMSSA-N 305.382 -0.066 30 20 DBED CC#CCN[C@@H]1CN(C(=O)CNS(=O)(=O)CC)C[C@H]1C 1214762317 YXOQXJLCOXDZPF-VXGBXAGGSA-N 301.412 -0.615 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)C[C@H]2COC(=O)C2)C1 1219458201 UBHCWGKQXKSZNU-UPJWGTAASA-N 312.366 -0.697 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(CC(=O)N[C@H](C)CC)C[C@@H]1O 1219532049 GUSJIKBAQPKMRD-MCIONIFRSA-N 309.410 -0.134 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)CN2CCC[C@@H]2C)C1 1220351964 OMKKLNWZOGEQLE-ZNMIVQPWSA-N 309.410 -0.718 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)Cc1cnoc1 1228144289 IHIJYQKQJQDCLO-ZIAGYGMSSA-N 318.377 -0.017 30 20 DBED N#CCN1CCC(NC(=O)CCNC(=O)[C@H]2CCCO2)CC1 1230442637 PJQUVJYMYCCESZ-CYBMUJFWSA-N 308.382 -0.224 30 20 DBED Cc1c(C(=O)NCCCN(C)CC(=O)NCC#N)cnn1C 1233968036 LEHUJHWZLNPCGY-UHFFFAOYSA-N 306.370 -0.580 30 20 DBED C[C@@H](O)[C@H]1CCCN1C(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1261861930 KEWRVMAZCWVUQM-MRVWCRGKSA-N 320.393 -0.443 30 20 DBED COC/C(C)=C/C(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1 1263295489 BGFKRTPGAPFJPA-PFEDMVJOSA-N 314.363 -0.455 30 20 DBED C=CCn1c(O)nnc1S(=O)(=O)CCN1CCCC1=O 1323363069 PABYRSZEMJPHJE-UHFFFAOYSA-N 300.340 -0.434 30 20 DBED C=CCCOCCNC(=O)C(=O)NCC(C)(C)S(C)(=O)=O 1323429866 ZWFPZPLYOTYLRV-UHFFFAOYSA-N 320.411 -0.365 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N(CC)CC1CC1 1323714748 XVRVUOLTYYTVGO-UHFFFAOYSA-N 302.396 -0.038 30 20 DBED C=C(C)COCCNC(=O)C(=O)N[C@H]1C[C@H]2CCCCN2C1=O 1326359700 KSBASQXDVFKLDG-OLZOCXBDSA-N 323.393 -0.035 30 20 DBED C#CC1CCN(C(=O)C(=O)N[C@@H]2CCN(C(=O)NCC)C2)CC1 1326422302 AFJQNISUSWEWMD-CYBMUJFWSA-N 320.393 -0.222 30 20 DBED C=CCn1cc(CNC(=O)C(=O)NCC2=CCNCC2)nn1 1326583057 CNFIOORTLBXVPI-UHFFFAOYSA-N 304.354 -0.884 30 20 DBED C=CCOCCNC(=O)C(=O)N1CCC[C@H](Cn2ccnn2)C1 1329384962 BAENAHSPVUBYNX-ZDUSSCGKSA-N 321.381 -0.165 30 20 DBED N#CC1(NC(=O)Cn2cc(CN3CCNCC3)nn2)CCC1 1330783064 GXSCXKWQDTZPAD-UHFFFAOYSA-N 303.370 -0.754 30 20 DBED C#CCN1CCC[C@@H](NC(=O)NCCCS(=O)(=O)NC)C1 1330890127 IENFALHUNYYENJ-GFCCVEGCSA-N 316.427 -0.678 30 20 DBED C#CCSCCn1nnnc1N1C[C@H]2CN(C(C)=O)C[C@H]2C1 1334195494 FGZUATAKSJGYQM-BETUJISGSA-N 320.422 -0.046 30 20 DBED C#CC[C@@H](NC(=O)[C@H]1CC(c2cnn(C)c2)=NO1)C(=O)OC 1337269073 XSBPIXVWTBMIFA-ZYHUDNBSSA-N 304.306 -0.406 30 20 DBED CCCN(CC(=O)NC)C(=O)CCN/C(O)=C1\N=CC=CC1=O 1339417201 RBBLKQCBXIYUQS-CCEZHUSRSA-N 322.365 -0.113 30 20 DBED C#CCN1CCN(c2nnc(C3=NNC(=O)C3)n2CC)CC1 1339466900 JKFOSCNYRGOEPR-UHFFFAOYSA-N 301.354 -0.723 30 20 DBED CC#CC[C@H](CO)NC(=O)C(=O)Nc1ccn(CCOC)n1 1349155874 LKWYGVPMEMCJDZ-LLVKDONJSA-N 308.338 -0.642 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)NCc2cccc3c2OCC3)CCO1 1354977444 DNQBVXUQHLHEKT-ZDUSSCGKSA-N 315.329 -0.011 30 20 DBED Cc1cc(NC(=O)CN2CCC(=O)NC2=O)n(CCC#N)n1 1361699615 KKDLXOSPRDEUJK-UHFFFAOYSA-N 304.310 -0.014 30 20 DBED CN(C)C(=O)Cn1cc(NC(=O)Cn2cnc(C#N)n2)cn1 1361740575 DBQRVNPJENKIBI-UHFFFAOYSA-N 302.298 -0.927 30 20 DBED Cc1nn(C)c(C)c1[C@H](O)CNC(=O)Cn1cnc(C#N)n1 1365159867 QUCDPSZRKXPFRZ-SNVBAGLBSA-N 303.326 -0.650 30 20 DBED C[C@H](CNC(=O)Cn1cnnn1)NCc1cc(C#N)ccc1F 1371103064 JWPIQUNIXRVVIB-SNVBAGLBSA-N 317.328 -0.022 30 20 DBED C[C@@H](CNC(=O)[C@H](C)C#N)NC(=O)C1(S(C)(=O)=O)CCC1 1373076652 WIEUYIWWTXAJLM-ZJUUUORDSA-N 315.395 -0.266 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNCc1ccc2nonc2c1 1379182806 GJJRNDIPXKEQKC-GXSJLCMTSA-N 303.322 -0.051 30 20 DBED C[C@H](C#N)C(=O)NCCN1CCN([C@@H]2CCCN(C)C2=O)CC1 1389412532 SYBZGQXACFJSLG-ZIAGYGMSSA-N 321.425 -0.499 30 20 DBED C[C@@H](CNC(=O)C(C)(C)N1CCOCC1)NC(=O)[C@H](C)C#N 1389489026 UTIJVXRVNPSPEG-NEPJUHHUSA-N 310.398 -0.122 30 20 DBED C[C@@H](CNC(=O)CCc1cnn[nH]1)NC(=O)c1ccc(C#N)[nH]1 1400167080 UDRLBKAXSBRANM-VIFPVBQESA-N 315.337 -0.128 30 20 DBED Cn1nccc1CNC[C@@H](O)CNC(=O)c1cc(C#N)c[nH]1 1401504880 LLIFTUIOWSLTMO-GFCCVEGCSA-N 302.338 -0.500 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNCc1nnc2n1CCCC2 1401506533 SFOQZNNHALAEFJ-MNOVXSKESA-N 306.370 -0.659 30 20 DBED CC[C@@H](NC[C@@H](O)CN(C)C(=O)c1cc(C#N)c[nH]1)C(N)=O 1410990886 RUZSIVMGRLQYEM-GHMZBOCLSA-N 307.354 -0.827 30 20 DBED Cn1c(=O)[nH]c(NCc2cc3n(n2)CCCO3)c(C#N)c1=O 1413893560 LMDLZIXSJKHTQH-UHFFFAOYSA-N 302.294 -0.464 30 20 DBED COC(=O)[C@H]1C[C@@H](O)CN1S(=O)(=O)N(C)[C@H](C)CC#N 1414324257 HIGUHXMLZAGFCE-OPRDCNLKSA-N 305.356 -0.927 30 20 DBED C[C@@](CO)(NC(=O)Cn1cnc(C#N)n1)c1ccc(O)cc1 1418189317 WCEBRRKFTMXIBN-AWEZNQCLSA-N 301.306 -0.121 30 20 DBED C=C(Cl)CNC1(CNC(=O)C[C@H](NC(C)=O)C(N)=O)CC1 1423264002 AGFHARDDMXRDMI-JTQLQIEISA-N 316.789 -0.643 30 20 DBED COC1(CC(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)CCC1 1428912297 NWGZDGNIJBPCAV-UTUOFQBUSA-N 309.366 -0.207 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)Cn2ncnn2)CCCC1 1430770242 RJOFQOQNRDAVAI-JTQLQIEISA-N 305.342 -0.622 30 20 DBED C[C@@H](CCNC(=O)c1cc(C#N)c[nH]1)NCc1nnnn1C 1437363156 DJENDSGCXLSMJE-VIFPVBQESA-N 302.342 -0.292 30 20 DBED C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)N(C)C(=O)[C@H]1CCC(=O)N1 1442703356 IRVQDLZJWSPLGH-GXSJLCMTSA-N 317.349 -0.258 30 20 DBED CCN(CCC#N)S(=O)(=O)N[C@H](CO)C[C@@H]1CCCO1 1464549613 ZJDILXFEXXCJBY-RYUDHWBXSA-N 305.400 -0.014 30 20 DBED CO[C@H](C)CCC(=O)NC[C@H](O)CNC(=O)c1cc(C#N)c[nH]1 1501478891 CMPOKFGGZOHFRG-PWSUYJOCSA-N 322.365 -0.092 30 20 DBED COc1cnc(C(=O)N(C)C[C@H](O)CNC(=O)[C@H](C)C#N)nc1 1511579291 MTGWRXQUIXIBCO-NXEZZACHSA-N 321.337 -0.806 30 20 DBED C=CCN1CC[C@H](NC/C=C/CNC(=O)CNC(=O)O)C1=O 1573368862 SJIJEPAISFUEAL-UFFNRZRYSA-N 310.354 -0.697 30 20 DBED C[C@H]1[C@@H](NCC#N)CCN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1 1575901908 RLDXESHQNZZZJK-IUCAKERBSA-N 300.326 -0.089 30 20 DBED N#CCNC1(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCC1 1581857541 BZRMNUMFPVLGAH-UHFFFAOYSA-N 300.326 -0.040 30 20 DBED C#CCN(CC(=O)O)C(=O)c1coc(S(=O)(=O)N(C)C)c1 1588418650 PEXSMSWXWNYYRB-UHFFFAOYSA-N 314.319 -0.310 30 20 DBED C#CCOCCC(=O)N1CC[C@H](N=c2cc[nH]c(C(=O)O)n2)C1 1588490112 RYFHWIZTVJUGKN-NSHDSACASA-N 318.333 -0.351 30 20 DBED C=C[C@H]1CCCCN1c1[nH]c(=O)n(C)c(=O)c1-c1nn[nH]n1 1588527151 DCDVPBJIWPEILW-QMMMGPOBSA-N 303.326 -0.201 30 20 DBED C=CCn1cc(C(=O)N2CC[C@@H](C(=O)O)C[C@@H]2C(=O)OC)nn1 1588910300 PCXKHHVEDJLBMS-MWLCHTKSSA-N 322.321 -0.058 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](C)CNc1cnc(-c2nn[nH]n2)cn1 1588931328 XGVSDVXZLJHMTG-JGVFFNPUSA-N 301.314 -0.267 30 20 DBED COCCO[C@H]1CCN(c2cnc(-c3nn[nH]n3)c(C#N)n2)C1 1591434093 OFSHDCLGYPHGFW-VIFPVBQESA-N 316.325 -0.230 30 20 DBED CCN(CCC#N)S(=O)(=O)NC[C@@]1(C(=O)O)CCOC1 1596299898 HVZSDQYXPLPRGW-NSHDSACASA-N 305.356 -0.452 30 20 DBED C[C@H](NC(=O)[C@H](C)NC(=O)c1cccc(C#CCO)c1)C(=O)O 1599898811 APRFERICEZYGDB-QWRGUYRKSA-N 318.329 -0.262 30 20 DBED C#CCN(C)CCCNC(=O)CN1CCC[C@@H](C(=O)O)C1=O 1602713594 KLIBIYMOFHMSNH-GFCCVEGCSA-N 309.366 -0.619 30 20 DBED N#Cc1cn(CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)nn1 1606390448 WCFBCPWAJHATLI-UHFFFAOYSA-N 309.293 -0.354 30 20 DBED CC#CCS(=O)(=O)NC(=O)c1ccc(-c2nn[nH]n2)cc1 1609060656 VNUWCUOCDBXVOG-UHFFFAOYSA-N 305.319 -0.050 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N1CCO[C@H](CC(=O)O)C1 1609266940 GSKWWDVFPVUIMY-VHSXEESVSA-N 300.311 -0.994 30 20 DBED C=CCN1CCC(NC(=O)C(=O)N2C[C@@H](C)[C@H](C(=O)O)C2)CC1 1609398976 UTYCSNGFGTYVEO-DGCLKSJQSA-N 323.393 -0.068 30 20 DBED C[C@@H]1CN(CCC(=O)O)CCN1C(=O)Cn1cnc(C#N)n1 1609869310 WAVUHPSLMSSPOY-SNVBAGLBSA-N 306.326 -0.843 30 20 DBED Cn1cc(C(=O)N2CC[C@H](NCC(=O)NCC#N)C2)c(Cl)n1 1713934341 YLZZPSPHGMBVHB-VIFPVBQESA-N 324.772 -0.483 30 20 DBED C#CCNC(=O)CN(C)CCCNC(=O)Cn1ccnc1C 1752112917 LGVKPDWPTVIGCM-UHFFFAOYSA-N 305.382 -0.621 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H](CNC(=O)c1cn[nH]c1)C1CC1 1752451984 QSFLGIFULLIPID-GXFFZTMASA-N 303.366 -0.354 30 20 DBED N#CCNC(=O)CN[C@H]1C[C@H](NC(=O)[C@@]23CCCN(CC2)C3)C1 1752681632 YUOVBSWAUYDPOP-XEZPLFJOSA-N 319.409 -0.651 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@@H](NC(=O)c2ccc(C)n2C)C1 1752713085 MPKKGSXHSAWGAT-BETUJISGSA-N 302.378 -0.067 30 20 DBED C=CCNC[C@@H]1CCN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 1752953804 LCEJFOXLDHZJBA-NSHDSACASA-N 316.365 -0.305 30 20 DBED COCC(=O)N[C@H](C(=O)N1CC[C@@H](CNCC#N)C1)C(C)C 1752955481 HBKXSTPVRDYUJD-JSGCOSHPSA-N 310.398 -0.265 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@@H](C)N(C)C(=O)C(C)(C)C(N)=O 1753697299 LSMJFUUNCNVQQE-GHMZBOCLSA-N 310.398 -0.928 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@H](C)NC(=O)c1ccc(C)nn1 1754267688 UKHUACBRHUVBKP-NWDGAFQWSA-N 303.366 -0.369 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@H]1CNC(=O)c1cccnn1 1754498593 XQNYWNIVIAFRMX-RYUDHWBXSA-N 301.350 -0.581 30 20 DBED COCC#CCN1CC[C@@H]1CNC(=O)CCN1CCCC1=O 1754502576 LRTAZRSGGWAIAH-CQSZACIVSA-N 307.394 -0.161 30 20 DBED C=CCOCCN1CC[C@@H]1CNC(=O)c1cn(C)c(=O)n1C 1754504627 ICASYQPHDAKPPY-GFCCVEGCSA-N 308.382 -0.270 30 20 DBED C=CCCN1CC[C@@H](NC(=O)CNS(=O)(=O)NC)C[C@H]1C 1755162757 YUFIRPCSPOUSGM-VXGBXAGGSA-N 318.443 -0.415 30 20 DBED COc1cc(O)ncc1C(=O)NC1(CCO)CN(CC#N)C1 1755336304 ODBGOBQRQKQWFC-UHFFFAOYSA-N 306.322 -0.514 30 20 DBED CN1CCCC[C@H](C(=O)NCCOCCCNCC#N)C1=O 1755553722 MRJRBNIJLRUPNN-CYBMUJFWSA-N 310.398 -0.119 30 20 DBED C[C@H](CN(C)C(=O)c1c[nH]c(C#N)c1)N[C@H]1CCC(=O)NC1=O 1755580688 BOMZQHGVDPWODE-SKDRFNHKSA-N 317.349 -0.258 30 20 DBED C=CCn1cc(C(=O)N(C)C[C@H](C)NCc2cnn(C)n2)nn1 1755609394 WOXSJKRVFGREQU-NSHDSACASA-N 318.385 -0.157 30 20 DBED C#CCNC[C@H]1CC[C@H](NC(=O)CS(=O)(=O)N(C)C)C1 1755745957 FGDFTTFQWKGILL-RYUDHWBXSA-N 301.412 -0.615 30 20 DBED C=CCN(C)C[C@H](O)CN(C)C(=O)C[C@@H]1CCCS1(=O)=O 1755803122 NNFRTWMOERMMAQ-STQMWFEESA-N 318.439 -0.109 30 20 DBED C#CCCN(C)C[C@H](O)CN(C)C(=O)c1c(C)ncnc1O 1755805458 XGPSYXXPENSONL-LBPRGKRZSA-N 306.366 -0.121 30 20 DBED C=CCCCC(=O)NCC1[C@H]2CN(C(=O)Cn3ncnn3)C[C@H]12 1756208511 QIQAUJLYOYJGJO-CHWSQXEVSA-N 318.381 -0.150 30 20 DBED C=C(C)C(C)(C)C(=O)NC[C@H](CO)NC(=O)c1cncnc1O 1756539957 HYLCYPNFPVKFFF-SNVBAGLBSA-N 322.365 -0.009 30 20 DBED C=CCC(C)(C)C(=O)N[C@H](CO)CNC(=O)c1nnn(C)n1 1756542019 BDVCCWSSLRRGDL-VIFPVBQESA-N 310.358 -0.981 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cncnc1)CCO2 1783049567 FOYMAQGLBACKDU-OAHLLOKOSA-N 300.318 -0.447 30 20 DBED C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CCCS1(=O)=O 1801520998 OWJUCDQYANCKOL-YVECIDJPSA-N 324.402 -0.165 30 20 DBED N#CCCC(=O)N1CCCC12CN(C(=O)Cn1ccnn1)C2 1842812883 QORDSQXKALKLCJ-UHFFFAOYSA-N 302.338 -0.215 30 20 DBED C=CCN(CC=C)C(=O)CN1CCNC(=O)[C@H]1CC(=O)OC 66561711 LUHISEYWNUSUBU-GFCCVEGCSA-N 309.366 -0.450 30 20 DBED C=CCNC(=O)N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 114907968 QGEXYODCYNGACU-ZDUSSCGKSA-N 310.398 -0.253 30 20 DBED C#CCN1CCN(C(=O)Cn2nnc3ccccc3c2=O)CC1 128305993 NWISTFNSQCGRGH-UHFFFAOYSA-N 311.345 -0.431 30 20 DBED C#CC[C@H](NC(=O)CS[C@H]1CCS(=O)(=O)C1)C(=O)O 149697627 AIQDJJNEVLUIQL-IUCAKERBSA-N 305.377 -0.501 30 20 DBED C=CCNC(=O)CNC(=O)N[C@@H](C(N)=O)c1ccc(F)cc1 154497772 NWOBUMFBHKZXJK-GFCCVEGCSA-N 308.313 -0.047 30 20 DBED CCN1CCC[C@H]1CN/C(N)=N/CCC(=O)N1CCN(C)CC1 170912769 QBJPRVFOHNNAQG-AWEZNQCLSA-N 324.473 -0.461 30 20 DBED C#CC[C@@H](NC(=O)[C@@H]1CCCCN1S(C)(=O)=O)C(=O)O 227514612 RFOXYKIZQGDNAV-ZJUUUORDSA-N 302.352 -0.607 30 20 DBED CCNS(=O)(=O)CCNS(=O)(=O)c1ccc(C#N)s1 231008993 VXVRLFFNJWQLDS-UHFFFAOYSA-N 323.421 -0.163 30 20 DBED NC(N)=NCc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 261881825 RCEIXIITCTZNRQ-NSHDSACASA-N 312.395 -0.083 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H](C)C[C@@H](C)O)C1=O 265892070 QLSVEECTYUWTTE-VHSXEESVSA-N 311.338 -0.514 30 20 DBED Cn1c(N2CC(=O)N[C@@H]3CCCC[C@H]32)c(C#N)c(=O)n(C)c1=O 268236766 VZLJPHXWTDNWPO-GHMZBOCLSA-N 317.349 -0.797 30 20 DBED CN(C[C@@H](O)CN1CCOCC1)c1nccc(C#N)c1[N+](=O)[O-] 268470917 JJYYKBZWQZPBFK-GFCCVEGCSA-N 321.337 -0.009 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCCC[C@@H]2[C@@H](C)O)C1=O 272279770 UKGCMUHHENJGJX-GHMZBOCLSA-N 323.349 -0.275 30 20 DBED C=CCN(C)C(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 298067994 LTOWFXLNGDJPSM-CYBMUJFWSA-N 322.409 -0.604 30 20 DBED C/N=C(/O)NC1CN(C(=O)c2nn(C)c3ccccc3c2=O)C1 328682734 OUYWTUXDSUIRFS-UHFFFAOYSA-N 315.333 -0.109 30 20 DBED O=S(=O)(NCC/N=C(/O)[C@@H]1COCCO1)c1cccnc1 328926483 OVRLXJRIYAMZCH-NSHDSACASA-N 315.351 -0.268 30 20 DBED CN1CCO[C@@H]2CN(/C(O)=N/CC3(S(C)(=O)=O)CC3)C[C@H]21 329938322 AEWUZIYGPVPZDM-GHMZBOCLSA-N 317.411 -0.508 30 20 DBED CC(C)NS(=O)(=O)CC/N=C(/O)NC[C@H]1COCCO1 330443436 SDRCKVONMSPFAY-JTQLQIEISA-N 309.388 -0.767 30 20 DBED CC/N=C(/O)NC(=O)[C@H](C)N1CC[C@H](S(=O)(=O)NCC)C1 330624186 FXSLHYILCMKSNJ-UWVGGRQHSA-N 320.415 -0.561 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N[C@@H](CO)C1CCOCC1 337781945 UJKXSIAXWKGTES-JQWIXIFHSA-N 305.400 -0.158 30 20 DBED COC(=O)CN(CC#N)S(=O)(=O)c1cc(C(=O)OC)co1 338211491 JFBXIYRWPOPAOR-UHFFFAOYSA-N 316.291 -0.247 30 20 DBED COC[C@@H](O)CNS(=O)(=O)c1ccc(C#N)cc1OC 338419962 CIEFZGVAEMSYAE-JTQLQIEISA-N 300.336 -0.148 30 20 DBED Cc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H](O)CN(C)C 347390801 RGPWHYCFVUQPQG-GFCCVEGCSA-N 304.350 -0.156 30 20 DBED Cc1cc(NC(=O)C(=O)N[C@H](C)CCN(C)C)nn1CCC#N 348828901 RTEDGGHAMMYBES-LLVKDONJSA-N 320.397 0.500 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@H]2CC[C@@H]2C(=O)OC)CC1 349445720 BOYVGXDCOGFGRV-STQMWFEESA-N 323.393 -0.368 30 20 DBED CC#CCN(C)S(=O)(=O)CCCS(=O)(=O)N[C@@H](C)C#N 349460920 QAMLJKNEQJHHDR-NSHDSACASA-N 321.424 -0.507 30 20 DBED C=C[C@H](C)NS(=O)(=O)CCCS(=O)(=O)Nc1nc[nH]n1 349588258 FPEIVQMVOXOVBV-QMMMGPOBSA-N 323.400 -0.570 30 20 DBED N#Cc1ccc(S(=O)(=O)NCCn2cnc(C#N)n2)cn1 352632786 ICMOVKVDHXWSLY-UHFFFAOYSA-N 303.307 -0.605 30 20 DBED C[C@@H](CC#N)N(C)C(=O)Cn1ccc2c(=O)n(C)c(=O)n(C)c21 362603753 VYFUSJIZQRNBPR-JTQLQIEISA-N 317.349 -0.201 30 20 DBED C=CC[C@@H](NC(=O)N[C@@H]1CCN(S(C)(=O)=O)C1)C(=O)O 400176128 DNMCJPNSVFNEKR-RKDXNWHRSA-N 305.356 -0.651 30 20 DBED C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)[C@@H](N)CCCC#N)CC1 424134079 KHQCQAAKCWJCDE-JSGCOSHPSA-N 321.425 -0.181 30 20 DBED CN(C)C(=O)NCCNC(=O)C(=O)Nc1ccc(C#N)cc1 440703588 JNGHGJBPONOXHS-UHFFFAOYSA-N 303.322 -0.116 30 20 DBED CO[C@@H]1COCC[C@@H]1CNc1c(C#N)c(=O)n(C)c(=O)n1C 450699431 XWRUAXVPMXDHEB-MWLCHTKSSA-N 308.338 -0.581 30 20 DBED C#CCNC(=O)CN1CCN(CC(=O)N(CC=C)CC=C)CC1 491070438 BORKCJIVCFCZIL-UHFFFAOYSA-N 318.421 -0.446 30 20 DBED C#CCNC(=O)C1CCN(C(=O)N[C@@H]2C(=O)NCC[C@@H]2C)CC1 491626862 JGMSIERLQPSYOD-AAEUAGOBSA-N 320.393 -0.318 30 20 DBED C#CCNC(=O)CN1CCN(CCn2c(C)csc2=O)CC1 491701107 KTWWAFPSSIYWDS-UHFFFAOYSA-N 322.434 -0.415 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2ccc(Cl)nn2)CC1 491819886 PKEFLJJQAWHGRE-UHFFFAOYSA-N 321.768 -0.363 30 20 DBED CNC(=O)[C@@H](C)NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 519612372 MBBKMHPXUMGZFN-SECBINFHSA-N 324.362 -0.913 30 20 DBED N#Cc1ccncc1N1CCN(C(=O)C(=O)NCC(F)F)CC1 557747043 JRLQZZHFQLSAFZ-UHFFFAOYSA-N 323.303 -0.017 30 20 DBED N#Cc1ccc(S(=O)(=O)CCNCC2(CC(N)=O)CC2)nc1 577172379 RVCKYJYRXWMAGH-UHFFFAOYSA-N 322.390 -0.028 30 20 DBED CN(C)CCN1C[C@@H](C(=O)N2CC[C@](O)(CC#N)C2)CC1=O 592846526 WYTAYUVWSKOKMI-SWLSCSKDSA-N 308.382 -0.726 30 20 DBED C=CCCSCCNC(=O)C(=O)NC[C@@H]1CNCCCO1 595285110 ZSDYBNAYPOGTNC-LBPRGKRZSA-N 315.439 -0.093 30 20 DBED COC(=O)[C@@H]1C[C@H](O)CN1C[C@H](O)COc1ccccc1C#N 599386227 KGZVGPMGPUOOEL-IHRRRGAJSA-N 320.345 -0.094 30 20 DBED CN(CCOCC1CC1)C(=O)C(=O)N1CCN(CCC#N)CC1 601474484 QZNJFMXMISXUKG-UHFFFAOYSA-N 322.409 -0.071 30 20 DBED COc1ccc(CN(C)c2c(C#N)c(=O)n(C)c(=O)n2C)cn1 610970076 BXOLBCDGSRAVOE-UHFFFAOYSA-N 315.333 -0.004 30 20 DBED Cc1ccc(-c2nnn(CC(=O)OCC(=O)NCC#N)n2)cc1 731236958 UULODBRFWRWXAX-UHFFFAOYSA-N 314.305 -0.169 30 20 DBED N#Cc1ccc([C@@H](C(=O)O)N2CCN(CC(N)=O)CC2)cc1 739107752 ZIIAXVKADSOSHX-AWEZNQCLSA-N 302.334 -0.213 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)Cn1cc([N+](=O)[O-])ccc1=O 748909838 CAFRBKCNZDIOBJ-VIFPVBQESA-N 307.262 -0.562 30 20 DBED C=CCS(=O)(=O)CCNC(=O)NCCc1ccn(C)n1 760690892 VDHAURVAIJEGHE-UHFFFAOYSA-N 300.384 -0.137 30 20 DBED C#CCCN1CCN([C@@H](C)C(=O)N2CCC[C@@H](C(N)=O)C2)CC1 776593263 DUYRQLWQMCEFRF-LSDHHAIUSA-N 320.437 -0.260 30 20 DBED C=CCOCC(=O)OCc1nc2c(=O)n(C)c(=O)n(C)c2[nH]1 785307814 NDNKFQVEDUSDCC-UHFFFAOYSA-N 308.294 -0.794 30 20 DBED C#CCC[C@@H](O)CNC(=O)NCCCN1CCC[C@H](C(N)=O)C1 798418849 QAEWGTUBMVJDKI-UONOGXRCSA-N 324.425 -0.353 30 20 DBED C#CCCCS(=O)(=O)NC[C@@H]1CC[C@H](C(=O)N(C)C)O1 805053890 FEOBTGWQSOGPNG-NWDGAFQWSA-N 302.396 -0.045 30 20 DBED CC[C@]1(C)NC(=O)N(NS(=O)(=O)c2cccnc2C#N)C1=O 808310485 ZESXKOLLKCESTA-LBPRGKRZSA-N 323.334 -0.133 30 20 DBED CON(C)C(=O)C1CCN(S(=O)(=O)N(C)CCC#N)CC1 812522029 ZNOBHWMDPZMJSR-UHFFFAOYSA-N 318.399 -0.192 30 20 DBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(=O)O 818058883 CBBKOPNVJOEALY-QMMMGPOBSA-N 312.303 -0.147 30 20 DBED C#CCOCCC(=O)NC1CCN([C@H]2CCN(C)C2=O)CC1 820627086 LRCMSELOZHXFIE-AWEZNQCLSA-N 307.394 -0.162 30 20 DBED C#CCN1CCN(C(=O)CN(CC(=O)O)C2CCOCC2)CC1 825619510 NURHATFULAPUBM-UHFFFAOYSA-N 323.393 -0.671 30 20 DBED N#C[C@H]1CNC[C@H]1NC(=O)CCN1C(=O)NC2(CCCC2)C1=O 834511802 OFBWWSOIZPIVOZ-WDEREUQCSA-N 319.365 -0.531 30 20 DBED C=C[C@H](C)ONC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 846542954 DHHFPZWHHHUIDH-HBNTYKKESA-N 316.379 -0.356 30 20 DBED C#CC[C@H](CO)NC(=O)C1(C(=O)N[C@@H](CO)CC#C)CCC1 854545285 FKTXIDGTXJFSAT-CHWSQXEVSA-N 306.362 -0.843 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N[C@@H]1CCc2c[nH]nc2C1 875218479 BSZXVCIJSSLLND-CHWSQXEVSA-N 318.377 -0.072 30 20 DBED CN(CCN1CCNCC1)S(=O)(=O)c1ccc(C#N)cn1 903487092 ZFXPKKUPTUWQOV-UHFFFAOYSA-N 309.395 -0.521 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)[nH]1 940062732 KFAPISSQPRNEOO-MXWKQRLJSA-N 315.333 -0.662 30 20 DBED COCCn1cc(C(=O)N[C@@H]2CCN(C(=O)[C@H](C)C#N)C2)nn1 940421145 ZSCXYTIFYYOABN-GHMZBOCLSA-N 320.353 -0.585 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)c3ncn(C)n3)C2)nc1 941875300 XCKSNMNYOAUNHO-GFCCVEGCSA-N 324.344 -0.164 30 20 DBED C[C@@H](C#N)C(=O)N1CCCC[C@@H](NC(=O)CN2CCOCC2)C1 943196414 XIQHOHHYBQWSET-UONOGXRCSA-N 322.409 -0.024 30 20 DBED Cn1ncc(C(=O)NC[C@H]2CN(C(=O)C#CC3CC3)CCO2)n1 944672587 USEMEHYEBDASOL-LBPRGKRZSA-N 317.349 -0.814 30 20 DBED C#CCCN1C[C@@H](O)[C@H](CNC(=O)c2nnn(C(C)(C)C)n2)C1 958077360 TVXZKFOPKFVCMF-VXGBXAGGSA-N 320.397 -0.526 30 20 DBED C#CCCN1C[C@H](CNC(=O)c2cn3c(n2)CCC3)[C@@H](O)C1 958082585 YYZTYEYFJIZMIQ-JSGCOSHPSA-N 302.378 -0.125 30 20 DBED C=CCCN1C[C@H](CNC(=O)c2ccc3nnnn3c2)[C@@H](O)C1 958255385 XMIJWERKJHDCSL-STQMWFEESA-N 316.365 -0.277 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2cc(C)c(C(N)=O)cn2)C1 958409972 XTIIITIKBGLQBV-BXUZGUMPSA-N 316.361 -0.855 30 20 DBED Cn1nnc(CN2C[C@H]3[C@H](NC(=O)c4cc(C#N)c[nH]4)[C@H]3C2)n1 958500131 MKZPTBDGUDGXSE-IWIIMEHWSA-N 312.337 -0.730 30 20 DBED Cn1nc2c(c1C(=O)NC[C@@H]1CN(CC#N)C[C@@H]1O)CCC2 958588804 YLQTWFPCYIRSJL-MFKMUULPSA-N 303.366 -0.545 30 20 DBED C#CCCN1C[C@H]2[C@H](NC(=O)Cc3ccc(C(N)=O)nc3)[C@H]2C1 960561585 UYAXJSFYULMOCH-VIKVFOODSA-N 312.373 -0.207 30 20 DBED C#CCCN1C[C@H]2[C@H](NC(=O)[C@@H]3CCc4nnc(O)n4C3)[C@H]2C1 960655684 NZCWCOBDBMKTEH-NMKXLXIOSA-N 315.377 -0.384 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CN(C(=O)/C(C)=C\C)C[C@@H]2O)nn1 963302329 LFEMLHZAWNTDDD-JCNZGBBLSA-N 319.365 -0.268 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CCN2C(=O)C(N)=O 963584745 ZQPVOBIZGSWTTN-XQHKEYJVSA-N 321.377 -0.345 30 20 DBED C#Cc1ccc(C(=O)N2C[C@H](C)[C@@H](NC(=O)C(N)=O)C2)nc1 966646677 DHRJMODEWDKWPO-CABZTGNLSA-N 300.318 -0.875 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CC(=O)N(C)C1 969188672 MBWGWBFMARRMRG-LPWJVIDDSA-N 318.377 -0.174 30 20 DBED C=CCCn1cc(C(=O)N[C@H](C)C2CN(CC(N)=O)C2)nn1 970551238 FILWEKAPVZRRTH-SNVBAGLBSA-N 306.370 -0.610 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)[C@H]3OCCO[C@H]3C)[C@H]2C1 976739203 JZTWKCVLQIZICP-NFXCPBFJSA-N 307.350 -0.477 30 20 DBED C#CCCN1C[C@H]2C[C@@H](NC(=O)Cn3cnnn3)CC[C@H]2C1 979521496 SLTMJEAFSYHROJ-MJBXVCDLSA-N 302.382 -0.087 30 20 DBED C[C@@H](C#N)C(=O)N1CCCN(C[C@@H](O)Cn2cccn2)CC1 980840163 UPDDXASOMWYUDB-UONOGXRCSA-N 305.382 -0.062 30 20 DBED C=CCN1CCCC2(C1)CN(C(=O)Cn1ncn(C)c1=O)C2 981861577 XUBOBLVJTSTSBJ-UHFFFAOYSA-N 305.382 -0.308 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)c2cc(=O)n(C)o2)[C@H]1C 987733302 DZOMPQJYHRQGNV-AEJSXWLSSA-N 306.322 -0.143 30 20 DBED C[C@H]1C[C@H](NCC#N)CN1C(=O)CN1CCCS1(=O)=O 988929425 SRSWDVAWKHEWJM-QWRGUYRKSA-N 300.384 -0.876 30 20 DBED C#CCN1CC[C@@]2(NC(=O)CN3CCOCC3=O)CCC[C@H]12 991071494 YTIWNWCQUFSMFI-BBRMVZONSA-N 305.378 -0.408 30 20 DBED C#CCN1CC[C@@]2(NC(=O)CN3CCOCC3=O)CCC[C@@H]12 991071499 YTIWNWCQUFSMFI-CJNGLKHVSA-N 305.378 -0.408 30 20 DBED C#CCN1CC[C@@]2(NC(=O)CN3CCC(=O)NC3=O)CCC[C@H]12 992429506 OEQMJSVGIWMDEQ-LRDDRELGSA-N 318.377 -0.325 30 20 DBED C#CCN1CCC[C@H](NC(=O)CN2CCC(=O)NC2=O)[C@H]1C 994166525 KVVSATFJCMWCKZ-NEPJUHHUSA-N 306.366 -0.469 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)Cn3cncn3)C2)nc1 997091903 CVTDAOHABBQVJJ-UHFFFAOYSA-N 310.317 -0.705 30 20 DBED CN(C(=O)c1ccc(C#N)[nH]1)C1CC(N[C@@H]2CCNC2=O)C1 998646954 UPUWTSUYQNLNGU-HTAVTVPLSA-N 301.350 -0.033 30 20 DBED C=C1CC(C)(C(=O)N2CC(NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)C1 999813167 PQFJEPNMJKDMSS-NWDGAFQWSA-N 321.377 -0.297 30 20 DBED Cc1ccnc2nc(C(=O)NC3CN(C(=O)[C@H](C)C#N)C3)nn12 1000038467 NYRKSLPYWNONSO-MRVPVSSYSA-N 313.321 -0.467 30 20 DBED C[C@H](NC(=O)c1cc(C(N)=O)c[nH]1)C1CN(C(=O)[C@H](C)C#N)C1 1006724067 VJZHHQXMEOOXIG-BDAKNGLRSA-N 317.349 -0.150 30 20 DBED C=C(C)CN1CCC[C@@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)C1 1008728534 SYLRDKQMHIDVIZ-LLVKDONJSA-N 322.365 -0.436 30 20 DBED N#CCOc1ccc(CN2CC[C@@H](NC(=O)C(N)=O)C2)cc1 1015638150 ZDXIOZLNLNOFCY-GFCCVEGCSA-N 302.334 -0.235 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CCN(C(=O)c3cnc(O)n3C)[C@@H]2C1 1022350096 MCBHIYKPQXBRHM-JFGNBEQYSA-N 317.349 -0.042 30 20 DBED C#CCCN1CC[C@@H](CNC(=O)[C@@H]2COCCN2C(C)=O)C1 1028993974 KHZYLLNFGSZDSB-GJZGRUSLSA-N 307.394 -0.305 30 20 DBED C=CCN1CC[C@H](N2CC(CNC(=O)c3cncnc3)C2)C1=O 1031629557 HCDMGZWKDYQEAP-AWEZNQCLSA-N 315.377 -0.075 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2CC(=O)Nc1cnccn1 1032316792 GXZPVWBDNZVKPD-SRVKXCTJSA-N 314.349 -0.140 30 20 DBED C#CCN1CC[C@@H](N(C)C(=O)CN2C(=O)NC(C)(C)C2=O)C1 1033637102 JVFPBHVJMNPXRV-LLVKDONJSA-N 306.366 -0.517 30 20 DBED C=CCN1CCO[C@H](CNC(=O)c2cnc3c(c2)nnn3C)C1 1035445552 DLZDCCORPFYWHU-GFCCVEGCSA-N 316.365 -0.020 30 20 DBED C#CCCN1CCO[C@H](CNC(=O)[C@H]2CN(C(C)=O)CCO2)C1 1035593749 ZOOASTWBJLZFIL-HUUCEWRRSA-N 323.393 -0.926 30 20 DBED N#CCN1CCO[C@@H](CNC(=O)c2ccc3nn[nH]c3c2)C1 1035601974 DQAKMOVJQZNZBB-NSHDSACASA-N 300.322 -0.088 30 20 DBED C=CCCn1cc(C(=O)N2CC[C@H](NCC(N)=O)[C@H](C)C2)nn1 1036211890 MIPCEEYNBQFHCD-NEPJUHHUSA-N 320.397 -0.220 30 20 DBED C=CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)CN1C(=O)NC(=O)C1(C)C 1037654196 VUYXBOXXNIEZKM-JFGNBEQYSA-N 306.366 -0.308 30 20 DBED Cn1cnc(C(=O)N2CC[C@@]3(CCN(CC#N)C3)C2)cc1=O 1041373517 WFQMVBRAHUKYMY-OAHLLOKOSA-N 301.350 -0.158 30 20 DBED CN1C(=O)CN(CC(=O)N2CC[C@H]3CCN(CC#N)[C@H]3C2)C1=O 1042314284 ZMAXCPPFTOKZLD-NEPJUHHUSA-N 319.365 -0.673 30 20 DBED Cc1cccnc1C(=O)NCC1(O)CN(C(=O)[C@@H](C)C#N)C1 1042418633 NEMBNOVXRRCFBR-NSHDSACASA-N 302.334 -0.147 30 20 DBED C#CCNC(=O)CC(=O)NCC1(O)CN(C(=O)CCC(=C)C)C1 1042673981 AJOTVBXCRMTPCS-UHFFFAOYSA-N 321.377 -0.828 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)[C@@H]2CC2(F)F)C1 1042911870 XRBPJSMOISGXSG-VIFPVBQESA-N 304.293 -0.466 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)CC2(C)CC2)C1 1043036621 PZJFVFXKNUMURG-UHFFFAOYSA-N 308.378 -0.094 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)C(C)(C)F)C1 1043042745 VVUDENIWLFPWTI-SNVBAGLBSA-N 300.330 -0.538 30 20 DBED Cc1nccc(C(=O)NCC2(O)CN(C(=O)C#CC3CC3)C2)n1 1043151373 CGBQYBACEVWWGW-UHFFFAOYSA-N 314.345 -0.498 30 20 DBED C=CC(C)(C)CC(=O)NCC1(O)CN(C(=O)c2nc[nH]n2)C1 1043206102 UVPYVFIPMFOTCD-UHFFFAOYSA-N 307.354 -0.290 30 20 DBED C=CCCOCC(=O)NCC1(O)CN(C(=O)c2ccnn2C)C1 1043564721 IFRPYPJEUCKDQU-UHFFFAOYSA-N 322.365 -0.684 30 20 DBED CN(C(=O)C(N)=O)C1CN(Cc2ccc(OCC#N)cc2)C1 1043717998 XKFVKYDVKXAURG-UHFFFAOYSA-N 302.334 -0.283 30 20 DBED CC#CCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCNC2=O)C1 1045006782 HMVGIZIJVGITDS-GFCCVEGCSA-N 321.377 -0.994 30 20 DBED C=C(C)C[C@H](C)C(=O)NCC1(O)CN(C(=O)Cc2nc[nH]n2)C1 1045059119 MKTRUDYFFMHZCY-NSHDSACASA-N 321.381 -0.361 30 20 DBED C=CCCCC(=O)NCC1(O)CN(C(=O)c2nccnc2N)C1 1045450748 BANYDHBUDOHLGG-UHFFFAOYSA-N 319.365 -0.282 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)CCc2cncs2)C1 1045555022 NBQITDGKGHCFFL-JTQLQIEISA-N 322.390 -0.075 30 20 DBED CN1C(=O)CC[C@@H]1C(=O)N1CCN([C@@H]2CCN(CC#N)C2)CC1 1046057263 XYCNIPLBDIDYRZ-ZIAGYGMSSA-N 319.409 -0.651 30 20 DBED C#CCCN1CC[C@@](C)(NC(=O)[C@H]2CCN(C)S2(=O)=O)C1 1046688740 CYTSMBKMGKUCFL-TZMCWYRMSA-N 313.423 -0.376 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CCN(C)C2=O)C1 1047420583 LIGALOKLUDDCLZ-RDBSUJKOSA-N 307.394 -0.618 30 20 DBED COC[C@H](C)C(=O)N(C)[C@H]1CN(C(=O)C#CC(C)C)C[C@@H]1O 1048547078 CJIDVRSYPKDSAF-IHRRRGAJSA-N 310.394 -0.042 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCNC(=O)C2)C1 1048678889 YULYGGSMFVPVHZ-AVGNSLFASA-N 323.393 -0.491 30 20 DBED CN(C(=O)C#CC1CC1)[C@H]1CN(C(=O)C[C@H]2CCCO2)C[C@@H]1O 1048821656 WLJSLDIXBJIPPP-ILXRZTDVSA-N 320.389 -0.001 30 20 DBED C#CCOCCC(=O)N(C)[C@H]1CN(C(=O)[C@@H](C)OC)C[C@@H]1O 1048844325 HNJDJVLWJOSHNX-AGIUHOORSA-N 312.366 -0.909 30 20 DBED Cc1cc(C)n(CC(=O)N2C[C@@H]3CN(CC#N)C[C@@H]3C2)c(=O)n1 1049134857 OREHRDCGJFIPSZ-OKILXGFUSA-N 315.377 -0.226 30 20 DBED N#CCN1C[C@@H]2CCCN(C(=O)CCN3C(=O)CCC3=O)[C@@H]2C1 1050088562 HEXMOLJGFWIUPE-QWHCGFSZSA-N 318.377 -0.028 30 20 DBED C=CCCn1cc(C(=O)NC[C@@H]2COCCN2CC#N)nn1 1051156713 XHQKCTIFBDKMLB-GFCCVEGCSA-N 304.354 -0.192 30 20 DBED C#CCCN1CCOC[C@@H]1CNC(=O)c1ccc(OC)nn1 1051194617 JNESTNYDTBYGRM-LBPRGKRZSA-N 304.350 -0.061 30 20 DBED C=CCN1CC2(C1)CN(C(=O)[C@@H]1CN3CCC[C@H]3CO1)CCO2 1053262831 FAPWXJSSPKLYQU-GJZGRUSLSA-N 321.421 -0.051 30 20 DBED N#CCN1CC2(C1)CN(C(=O)[C@@H]1CCc3nc[nH]c3C1)CCO2 1053501236 LAESNBPDXLMRKC-GFCCVEGCSA-N 315.377 -0.049 30 20 DBED N#CCN1CC2(CC[C@@H](CNC(=O)c3cnnc(O)c3)O2)C1 1053614727 OPJSZKGJZAIBIJ-NSHDSACASA-N 303.322 -0.331 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)[C@H]3CCc4nc[nH]c4C3)CO2)C1 1053976243 CZBJQKIRFBAXPZ-NWDGAFQWSA-N 315.377 -0.002 30 20 DBED C=CCN1CC2(C[C@@H](NC(=O)[C@@H]3CCCS3(=O)=O)CO2)C1 1054013160 PJIQUDDTANPHGB-NEPJUHHUSA-N 314.407 -0.291 30 20 DBED CNC(=O)CCCC(=O)N1C[C@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2C1 1055296562 DNGQIDUUKKRLDU-UPJWGTAASA-N 320.393 -0.021 30 20 DBED C=CCCOCC(=O)NCCN(CCO)C(=O)[C@H]1CCCO1 1056898794 VMMKVKYUEVFNLV-CYBMUJFWSA-N 314.382 -0.305 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)Cn1ccccc1=O 1057557262 GUOQZMWHYQKHIT-UHFFFAOYSA-N 321.377 -0.248 30 20 DBED N#Cc1cncc(N2CCC(NC(=O)Cn3ncnn3)CC2)n1 1057903024 OBOWFOWIWHYTRI-UHFFFAOYSA-N 313.325 -0.880 30 20 DBED N#Cc1nccc(N2CC[C@@H](NC(=O)[C@@H]3CCNC3=O)C2)n1 1058507242 BIXQSDBRKWILTC-NXEZZACHSA-N 300.322 -0.821 30 20 DBED C=C[C@](C)(CC)C(=O)N(CCO)CCNC(=O)CNC(N)=O 1058727925 FLGFOYKSCSSNDO-CQSZACIVSA-N 314.386 -0.806 30 20 DBED C[C@H](C#N)C(=O)NCC[C@@H]1CCN(C(=O)c2cn(C)nn2)C1 1059586420 QLDASKCMHHMFGV-GHMZBOCLSA-N 304.354 -0.057 30 20 DBED N#Cc1nc(=NC[C@H]2CCN(C(=O)[C@@H]3CCC(=O)N3)C2)cc[nH]1 1060899556 HCBKYKNMYFJDAH-MNOVXSKESA-N 314.349 -0.691 30 20 DBED C=CCCC(=O)NC[C@H]1COCCN1C(=O)[C@H]1CCCNC1=O 1061409981 IAHIKNQGWGVSCD-STQMWFEESA-N 323.393 -0.178 30 20 DBED C#CCOCCC(=O)NC[C@H]1COCCN1C(=O)c1cnon1 1061585121 RFXFBXRYKDHMRM-NSHDSACASA-N 322.321 -0.933 30 20 DBED CC(C)C#CC(=O)N1CCOC[C@H]1CNC(=O)c1cnn[nH]1 1061697025 ILXNBXXVTGAZIZ-LLVKDONJSA-N 305.338 -0.579 30 20 DBED CC(C)(C(N)=O)C(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1C#N 1062539329 JQHBMXDVUWLHIH-UWVGGRQHSA-N 314.349 -0.351 30 20 DBED N#Cc1cncc(N2C[C@@H]3C[C@H]2CN3C(=O)c2cncnc2O)n1 1062541163 IUKXRWXKJCUDKI-QWRGUYRKSA-N 323.316 -0.053 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)[C@H]2CN(C)CCO2)CCC1 1062746461 LUBLFUKTGJBVFN-NWDGAFQWSA-N 308.382 -0.368 30 20 DBED NC(=O)NC1(C(=O)NCC2(NC(=O)C#CC3CC3)CCC2)CC1 1062823447 MQVVIMXUPUEYFF-UHFFFAOYSA-N 318.377 -0.244 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(NC(=O)[C@H]2CCC(=O)N2)CCC1 1063041906 HKHVOVNCEGGWIH-VXGBXAGGSA-N 321.377 -0.542 30 20 DBED CCCC(=O)NCC(=O)N1CCO[C@@H](CNC(=O)[C@@H](C)C#N)C1 1064924269 LMJFJJSCWGDJDG-RYUDHWBXSA-N 324.381 -0.594 30 20 DBED C=CCCC(=O)N1CCO[C@H](CNC(=O)C2(C(=O)NC)CC2)C1 1064955817 LPCSTODXDNZHOG-GFCCVEGCSA-N 323.393 -0.178 30 20 DBED N#Cc1nccnc1N1C[C@H]2CN(C(=O)c3cnon3)C[C@H]2C1 1066020679 VODHVYOIGHVYBU-AOOOYVTPSA-N 311.305 -0.060 30 20 DBED C[C@H]1CN(C(=O)Cn2ccnc2)C[C@@H]1N=c1cc[nH]c(C#N)n1 1067112685 HALGLBLHFFXWEI-RYUDHWBXSA-N 311.349 -0.074 30 20 DBED C=CCCC(=O)N[C@@H]1COC2(C1)CN(C(=O)Cc1nc[nH]n1)C2 1068756766 HMKIVHBUWUMCBB-NSHDSACASA-N 319.365 -0.201 30 20 DBED C=CCCCC(=O)N1CC2(C[C@H](NC(=O)CC(=O)NC)CO2)C1 1068830352 ATJGVUGNDDARAL-LBPRGKRZSA-N 323.393 -0.035 30 20 DBED CN(C(=O)[C@H]1C[C@H]1C(N)=O)C1CC(N=c2cc[nH]cc2C#N)C1 1069794428 VTPOTOHPVDCCAL-TUUUFIMRSA-N 313.361 -0.102 30 20 DBED N#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2nccs2)C1 1070061672 RCINHOSBURLXHN-ZJUUUORDSA-N 303.351 -0.087 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2cn(CC)cn2)C1 1070080486 HLRRJFFREDAWOZ-OCCSQVGLSA-N 313.365 -0.217 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H](C)[C@H](NC(=O)C(F)F)C1 1071936120 LQDPPSLJMRFIER-DTWKUNHWSA-N 301.293 -0.646 30 20 DBED C=CCOCC(=O)N[C@H]1CN(C(=O)CC(=O)NCC)C[C@H]1C 1071938779 HSLAPFUDHZUKBY-NEPJUHHUSA-N 311.382 -0.322 30 20 DBED CC#CCN1C[C@H](NC(=O)Cn2c(O)nnc2O)CC[C@H]1C 1072027295 WPTKQXJWADCSSB-GHMZBOCLSA-N 307.354 -0.318 30 20 DBED CC#CCCCC(=O)N1C[C@H](C)[C@H](NC(=O)c2nnn(C)n2)C1 1072564439 UTHUZLVRWGPKGF-NWDGAFQWSA-N 318.381 -0.020 30 20 DBED C#CCNC(=O)CC(=O)N1CCC(C)(NC(=O)C(F)F)CC1 1072962177 LCTLLAWCWMTIHK-UHFFFAOYSA-N 315.320 -0.112 30 20 DBED C#CCCCC(=O)NC1(C)CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 1073225014 UCOAWJRFISQCBQ-LBPRGKRZSA-N 320.393 -0.031 30 20 DBED CNC(=O)NCC(=O)N1CC[C@@H](NC(=O)C#CC2CC2)[C@@H](C)C1 1073955147 RIRPHQTWNCGZSR-WCQYABFASA-N 320.393 -0.318 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CCN(C(=O)c2cnsn2)CC1 1074495291 QDCFSZPEYDETEL-VIFPVBQESA-N 323.378 -0.219 30 20 DBED CCNC(=O)CC(=O)NCC1(O)CCN(C(=O)[C@@H](C)C#N)CC1 1074705686 XDXSJFDZOUUTJW-NSHDSACASA-N 324.381 -0.858 30 20 DBED C#CCCN1C[C@@H]2CCN(C(=O)Cn3nc(C)n(C)c3=O)[C@@H]2C1 1076519126 PMMOLKNIZFYRJK-UONOGXRCSA-N 317.393 -0.554 30 20 DBED C=CCCOCC(=O)N[C@@H](C)CCNC(=O)[C@@H]1CNC(=O)N1 1078094423 SNPNZAFWSDVBFS-QWRGUYRKSA-N 312.370 -0.729 30 20 DBED C=CCN[C@@H]1C[C@@H](NC(=O)CN2CCN(C)C(=O)C2)C12CCC2 1078663467 MZKWRUFYKFNSLU-ZIAGYGMSSA-N 320.437 -0.037 30 20 DBED C=CCOCC(=O)N1CC(N(CC)C(=O)CCNC(N)=O)C1 1079749298 ICXJILWKFDMJQC-UHFFFAOYSA-N 312.370 -0.693 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cc(C)[nH]n2)C1 1081307307 IHDGJBRIMNDFAU-YPMHNXCESA-N 322.365 -0.530 30 20 DBED C#CCCCCC(=O)NC[C@@H]1CN(C(=O)CC(=O)NC)C[C@@H]1O 1081417764 YEQQSQUJTYARJA-OLZOCXBDSA-N 323.393 -0.748 30 20 DBED C=CCOCC(=O)N1C[C@H](CNC(=O)Cc2ccoc2)[C@@H](O)C1 1081428877 XHFKHWURMRANMM-KBPBESRZSA-N 322.361 -0.040 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2cc(=O)n(C)o2)C1 1081430334 DZLDTWAXDBJHLF-GHMZBOCLSA-N 323.349 -0.506 30 20 DBED C=C(C)CCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2ncn(C)n2)C1 1081452840 LYMBOMZPXRQZSQ-NEPJUHHUSA-N 321.381 -0.280 30 20 DBED C=CCN1C[C@@H](NC(=O)c2ccc(=O)n(CC)n2)[C@H](OC)C1 1082252911 OROWRUCOUZYEMG-CHWSQXEVSA-N 306.366 -0.122 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2ccn(CC(F)(F)F)n2)C1 1083549258 YQFMQKDFECNJCV-ZJUUUORDSA-N 317.271 -0.256 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2ncoc2[C@H]2CCCO2)C1 1083698984 GBUOUQJDUXVYIA-GRYCIOLGSA-N 305.334 -0.066 30 20 DBED Cn1cnc2c(C(=O)N[C@@H]3CN(CC#N)C[C@@H]3O)ccnc21 1083769335 ORVYOAOJAWHJHP-MNOVXSKESA-N 300.322 -0.733 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)Cc2cn(C)nc2Cl)C1 1083777897 RQISSGCACOXYKB-NEPJUHHUSA-N 310.785 -0.199 30 20 DBED Cn1cc([C@@H]2CN(C(=O)c3cnsn3)C[C@H]2NCC#N)cn1 1086968988 WJROJQYXAWMXKG-CMPLNLGQSA-N 317.378 -0.007 30 20 DBED CS(=O)(=O)CC(=O)N1C[C@H]2[C@@H]3CC[C@@H](CN3CC#N)[C@H]2C1 1087338449 IWWPKFXFITXXAE-LOWDOPEQSA-N 311.407 -0.277 30 20 DBED CC(=O)NCC(=O)N[C@H]1CC[C@@H](C)N(c2ccc(C#N)nn2)C1 1089115518 HWDFJFSUYNDSHE-MFKMUULPSA-N 316.365 -0.042 30 20 DBED Cc1c(C(=O)N[C@@H]2CCN(CC#N)C[C@@H]2O)nn2c1OCCC2 1090313871 UJJPZAFZPBFSIU-NEPJUHHUSA-N 319.365 -0.337 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2cnc3nccnc3c2)[C@H](O)C1 1090331979 PJYKSSYTHBATGT-TZMCWYRMSA-N 311.345 -0.177 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2cncc(OC)n2)[C@H](O)C1 1090623799 KBBUSMCEDAJLNS-DGCLKSJQSA-N 304.350 -0.327 30 20 DBED C=CCN1CC[C@@H](NC(=O)c2cccn3c(O)nnc23)[C@@H](O)C1 1090721331 GAJOOUOGIUPCBD-NEPJUHHUSA-N 317.349 -0.214 30 20 DBED C#CCN1CC[C@H](NC(=O)Cn2c(C)csc2=O)[C@@H](O)C1 1090797176 VGGMGTXBPSSOAF-RYUDHWBXSA-N 309.391 -0.597 30 20 DBED CNC(=O)NCC(=O)N1C[C@@H](Nc2cnc(C#N)cn2)[C@H](C)C1 1091026663 NOHAURAXFMSQKO-MWLCHTKSSA-N 317.353 -0.464 30 20 DBED CCCCOCC(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@@H]1O 1091079519 SCSCOYNSHSWNPO-OLZOCXBDSA-N 319.365 -0.169 30 20 DBED C[C@@H]1[C@@H](NC(=O)CS(C)(=O)=O)CCN1c1cnc(C#N)cn1 1091935328 FGBZEYYGAQHLEH-KOLCDFICSA-N 323.378 -0.524 30 20 DBED CN(CC(=O)NCCN=c1cc[nH]cc1C#N)C(=O)C1CC1 1094190665 SHBREMKTRVOHSH-UHFFFAOYSA-N 301.350 -0.228 30 20 DBED CCN1C[C@@H](C(=O)NCCN=c2cc[nH]c(C#N)n2)CC1=O 1094190736 WCVLUZIENPLOLO-JTQLQIEISA-N 302.338 -0.833 30 20 DBED CC[C@H](F)C(=O)N1CCN(CC#N)[C@H]2CS(=O)(=O)C[C@H]21 1094653162 DOBBFUPNFACQTF-GARJFASQSA-N 303.359 -0.432 30 20 DBED CCc1nc[nH]c1C(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1 1094810979 HANTXGDLOUIUFD-JTQLQIEISA-N 316.365 -0.489 30 20 DBED N#CCN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1c(O)nnc1O)C2 1095045525 HQUWGOKAWYGICT-GUBZILKMSA-N 306.326 -0.818 30 20 DBED CC(=O)NCC(=O)N1CC[C@@H](N(C)c2ccnc(C#N)n2)C1 1095088862 VNHPYTKLSBLMGZ-LLVKDONJSA-N 302.338 -0.479 30 20 DBED COCCC(=O)NCCN1CCN(c2cncc(C#N)n2)CC1 1096259934 RNPCKWBXVAXTSU-UHFFFAOYSA-N 318.381 -0.377 30 20 DBED Cc1cc(C#N)nc(N2CC[C@@H](NC(=O)[C@H](C)NC(N)=O)C2)n1 1096355197 FOIVRVDQLWQHJZ-VHSXEESVSA-N 317.353 -0.592 30 20 DBED CCNC(=O)CC(=O)N[C@H]1CCN(c2ccnc(C#N)n2)C1 1096360399 MYNGLWZHMNBUIM-JTQLQIEISA-N 302.338 -0.431 30 20 DBED C[C@@H](CC(=O)N1CC[C@H](Nc2nccnc2C#N)C1)NC(N)=O 1096961426 WTNHJGDJYWLLJM-UWVGGRQHSA-N 317.353 -0.192 30 20 DBED N#Cc1nccc(N2CCCC[C@@H]2CNC(=O)CC(N)=O)n1 1097401566 NPVKEWRHQCDCGW-SNVBAGLBSA-N 302.338 -0.301 30 20 DBED C[C@H](CNC(=O)C[C@H]1CCN(C)C1=O)N=c1cc[nH]c(C#N)n1 1098117367 KIQQZGSHMRUWEB-GHMZBOCLSA-N 316.365 -0.445 30 20 DBED C[C@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)Nc1cnc(C#N)cn1 1098213253 DYWLJVYFROJNTL-SCZZXKLOSA-N 303.326 -0.712 30 20 DBED C[C@H](CNC(=O)[C@@]1(C)CCNC1=O)N=c1cc[nH]c(C#N)n1 1098260677 HKYWIYWDVDKLIF-OTYXRUKQSA-N 302.338 -0.787 30 20 DBED CNC(=O)CC(=O)N1CC[C@@H](CNc2cncc(C#N)n2)C1 1098521781 LXXYVGMZDQVYNY-JTQLQIEISA-N 302.338 -0.255 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)Cc2ccoc2)[C@@H](O)C1 1099785894 JTODSSQSASCCBG-KBPBESRZSA-N 319.361 -0.877 30 20 DBED C=C(C)C(C)(C)C(=O)N[C@H]1CCN(Cc2nnnn2C)C[C@H]1O 1099947688 ZETMUOJPAVTPPN-NWDGAFQWSA-N 322.413 -0.136 30 20 DBED CCc1nc(C#N)cc(N(C)CCNC(=O)[C@H]2CCC(=O)N2)n1 1099964945 AVUFLLIRVOTFAC-LLVKDONJSA-N 316.365 -0.258 30 20 DBED C=CCCN1CC[C@H](NC(=O)COc2cnn(C)c2)[C@H](O)C1 1099971445 IBUUISNHCKNWDR-UONOGXRCSA-N 308.382 -0.074 30 20 DBED C#CCN1CC[C@H](NC(=O)C(C)(C)NC(=O)NCC)[C@H](O)C1 1100024944 RIQXZUJZUDHIOS-NWDGAFQWSA-N 310.398 -0.731 30 20 DBED C=C(Cl)CN1CC[C@@H](NC(=O)C2(C(=O)NC)CC2)[C@H](O)C1 1100033594 IIVPSNGOHOVFRS-GHMZBOCLSA-N 315.801 -0.184 30 20 DBED CC#CCN1CC[C@H](NC(=O)C(C)(C)CNC(C)=O)[C@@H](O)C1 1100033922 NANJJOZDCWWZHN-KBPBESRZSA-N 309.410 -0.277 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)[C@@H]2CCN(C)[C@@H]2C)C1 1100343559 HWHCBRNJQWFHMI-XSCHDIRWSA-N 320.437 -0.440 30 20 DBED CN(CC(=O)NCCN(C)c1ccnc(C#N)n1)C(=O)C1CC1 1100374840 GWTHVQVOXFWBLE-UHFFFAOYSA-N 316.365 -0.231 30 20 DBED CC(=O)N[C@H](C)C(=O)NC[C@H]1CCCN1c1cncc(C#N)n1 1100776820 RSBDZFDTWYLMAB-ZWNOBZJWSA-N 316.365 -0.042 30 20 DBED C[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1CNC(=O)[C@H](C)C#N 1101828216 YHJKUPVDVDOSFV-IJLUTSLNSA-N 316.427 -0.621 30 20 DBED C=CCOCCN1C[C@@H](C)[C@H](CNC(=O)[C@@H]2CN(C)C(=O)N2)C1 1102226203 GMQXPUIPAYTHLK-MCIONIFRSA-N 324.425 -0.103 30 20 DBED C=CCOCCN1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CNC(=O)N2)C1 1103383537 BKHXISSXACCHQZ-MGPQQGTHSA-N 324.425 -0.055 30 20 DBED C#CCNC(=O)[C@@H](C)NCC[C@@H]1CN(C(=O)COC)C[C@H]1C 1103794516 TYNHMFSZDLANOB-MGPQQGTHSA-N 309.410 -0.155 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)c1cnnc(O)c1 1104715606 LRJQFRPWDYMHLQ-SECBINFHSA-N 313.321 -0.162 30 20 DBED C#CCCNCc1cn(C2CN(C(=O)[C@@H]3COCCO3)C2)nn1 1105164454 CCWFKBHTUZYHRM-AWEZNQCLSA-N 319.365 -0.810 30 20 DBED C=CCOCC(=O)N1CC(n2cc(CN[C@H](C)COC)nn2)C1 1105191958 IQEMXEAUSIVDAV-GFCCVEGCSA-N 323.397 -0.012 30 20 DBED N#Cc1nccnc1NC[C@@H](O)CNC(=O)C[C@@H]1CCCO1 1105718822 RSCGEWDQDCWNNG-QWRGUYRKSA-N 305.338 -0.194 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)Cn2cccn2)nn1 1105721428 ANJCQPCQEDELOA-NSHDSACASA-N 301.310 -0.866 30 20 DBED Cc1nc[nH]c1C(=O)NC[C@H](O)CNc1cnc(C#N)cn1 1105888817 ZFRUXXXCIMBWHO-SNVBAGLBSA-N 301.310 -0.417 30 20 DBED C[C@H](CCNc1cncc(C#N)n1)NC(=O)Cn1cnnn1 1106195445 XDPZYGKBFLGAIV-SECBINFHSA-N 301.314 -0.658 30 20 DBED CN1CCO[C@H](C(=O)NC/C=C/CNc2nccnc2C#N)C1 1107093454 GDVNDUORTNKELI-IBUXWKBASA-N 316.365 -0.237 30 20 DBED N#Cc1cncc(NC/C=C/CNC(=O)[C@@H]2CCC(=O)N2)n1 1107280194 JBISNIOVGXUWAD-GXFZAYBSSA-N 300.322 -0.289 30 20 DBED C=CCCC(=O)NC[C@]1(C)CN([C@@H]2CCC(=O)NC2=O)CCO1 1107801966 FSPCDXVHLSJIBF-MLGOLLRUSA-N 323.393 -0.035 30 20 DBED C#CCCN1CCO[C@@](C)(CNC(=O)[C@@]2(C)CCNC2=O)C1 1108210580 BDNBQPBNOZAKFU-HOTGVXAUSA-N 307.394 -0.257 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)CC[C@@H]3CCOC3)CC2=O)C1 1108533873 FCNAPLVSSRJWSP-KGLIPLIRSA-N 319.405 -0.162 30 20 DBED Cc1cc(C#N)nc(NC[C@H](C)NC(=O)c2c[nH]c(=O)cn2)n1 1108661194 FJWJZTVYWFHOED-VIFPVBQESA-N 313.321 -0.030 30 20 DBED N#Cc1ccc(NC[C@H](NC(=O)[C@@H]2CCC(=O)N2)C2CC2)nn1 1109880695 QJIWIPHDNKOKQH-RYUDHWBXSA-N 314.349 -0.066 30 20 DBED Cc1cc(=NC2(CNC(=O)[C@@H]3CCNC3=O)CC2)c(C#N)c[nH]1 1110301683 NGBFRFCSJHDEFF-GFCCVEGCSA-N 313.361 -0.120 30 20 DBED CNC(=O)NCC(=O)N1CCC[C@H]1CNc1ccc(C#N)nn1 1110565344 UDCNGABCCIXBTC-NSHDSACASA-N 317.353 -0.320 30 20 DBED C#CCOCCC(=O)N(CCO)CCNc1cc(F)ncn1 1111510535 ANKGYXOPJJGAMU-UHFFFAOYSA-N 310.329 -0.112 30 20 DBED C[C@H]1CO[C@@H](C(=O)N(CCO)CCN=c2cc[nH]c(C#N)n2)C1 1111599439 ZHKGIULYPAKYKV-VXGBXAGGSA-N 319.365 -0.572 30 20 DBED C[C@@H]1C[C@H](NC(=O)CC(N)=O)CCN1c1cnc(C#N)cn1 1112459272 GZLRLDWOFBBCHE-NXEZZACHSA-N 302.338 -0.303 30 20 DBED C#CCOCCC(=O)NC[C@H]1CN(c2nccc(C)n2)C[C@H]1O 1112738798 RSORSYHKVSPAQY-UONOGXRCSA-N 318.377 -0.262 30 20 DBED COC(=O)NCC(=O)NC[C@@H](C)N(C)c1cncc(C#N)n1 1113513218 YFUNHAJCRNQLFC-SECBINFHSA-N 306.326 -0.355 30 20 DBED CO[C@@H](C(=O)N1CCN(CC(=O)NCC#N)CC1)C1CCCC1 1113587882 OVUVIQCPMSISEV-OAHLLOKOSA-N 322.409 -0.024 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)COC)[C@H]2C1 1113759084 YLFPDZRAMQQQHY-DCAQKATOSA-N 324.381 -0.921 30 20 DBED C[C@H]1CCN(c2cnc(C#N)cn2)C[C@@H]1NC(=O)CC(N)=O 1114007013 BXDYIZRKSCDMIE-ONGXEEELSA-N 302.338 -0.445 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)CC3CCOCC3)[C@H]2C1 1114069783 OOKKFSCRBPORTI-HALDLXJZSA-N 319.405 -0.401 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)CC3OCCCO3)[C@H]2C1 1114174614 XDSPLENJZXFWLT-VIKVFOODSA-N 308.378 -0.164 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@H]1[C@@H]2CN(Cc3cnn(C)n3)C[C@@H]21 1114194095 LGXNMBTXZZTLNQ-MXYBEHONSA-N 305.382 -0.311 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)C[C@@H]3CCC(=O)N3C)[C@@H]2C1 1114663797 WWLUXJIQOKUTDX-BFHYXJOUSA-N 319.405 -0.307 30 20 DBED C#CCN1C[C@@H]2C(NC(=O)[C@@H](NS(C)(=O)=O)C(C)C)[C@H]2C1 1114943067 RBTWGMURUMHKRJ-SRVKXCTJSA-N 313.423 -0.760 30 20 DBED C[C@H](CCCN=c1cc[nH]c(C#N)n1)NC(=O)Cn1ncnn1 1115012650 VQOUAJPMQHTDNG-SNVBAGLBSA-N 315.341 -0.846 30 20 DBED C=CCO[C@H](C)C(=O)NC1[C@H]2CN(CC(=O)NC3CC3)C[C@H]12 1115332636 PNPHCEALNTZSMF-WXHSDQCUSA-N 307.394 -0.098 30 20 DBED C[C@@H](CN(C)C(=O)[C@@H]1COCCN1C)N=c1cc[nH]c(C#N)n1 1115682233 JPCAVXUGYKTYRU-RYUDHWBXSA-N 318.381 -0.640 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)NCc1ccncc1 1117630413 RMQILDUMCMUYLP-UHFFFAOYSA-N 311.363 -0.585 30 20 DBED CCOC(=O)[C@@H]1CCCN(C(=O)C(=O)N2CCO[C@@H](C#N)C2)C1 1117819367 YJRNOWDKZHZWHV-NEPJUHHUSA-N 323.349 -0.461 30 20 DBED CO[C@@H]1CCN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)[C@@H](C)C1 1118250678 VYANBJCCOBZLIW-ZOWXZIJZSA-N 309.366 -0.111 30 20 DBED C=CCNC(=O)Cn1nnnc1N1CCOCC2(CCC2)C1 1120070222 OJUCGBFXVWUCIQ-UHFFFAOYSA-N 306.370 -0.018 30 20 DBED COCC(=O)N[C@@H](C)C(=O)NC1CC2(CC(NCC#N)C2)C1 1121155643 PGYJAEOFEBZBTN-ZWESNROVSA-N 308.382 -0.322 30 20 DBED Cn1cc(CC(=O)NC[C@H](CO)Nc2ccc(C#N)nc2)cn1 1121189826 CQGULJHXJGSTJN-CQSZACIVSA-N 314.349 -0.182 30 20 DBED C=C[C@](C)(O)CC(=O)N(C)C[C@H](O)CNc1ccc(C#N)nn1 1124266327 GZQDBBWIDMDVJC-DOMZBBRYSA-N 319.365 -0.093 30 20 DBED CC(C)(C)[C@H](CNc1nccnc1C#N)NC(=O)CNC(N)=O 1125763416 OHDRIXNITBBBEW-JTQLQIEISA-N 319.369 -0.041 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@@H]1CC[C@H]2CCCCN12 1130187504 WTNUAYVTHBTBMR-KGLIPLIRSA-N 306.410 -0.542 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)c1cc(CN(C)C)on1 1130648511 PHMFEEYBZTXMNL-NSHDSACASA-N 323.397 -0.254 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)c2ccc(=O)n(C)c2)C1=O 1130763918 KBUKXFAHGPHMML-ZDUSSCGKSA-N 318.377 -0.508 30 20 DBED CCCc1c(C(=O)NCCNCC(=O)NCC#N)cnn1C 1130775749 KCSFBBLJEDLKAA-UHFFFAOYSA-N 306.370 -0.668 30 20 DBED C=CCOCC(=O)N1CCC(=O)NCCN(CCCO)CC1 1131339991 ZPFFPVNOSBBFKW-UHFFFAOYSA-N 313.398 -0.778 30 20 DBED CN(C)CCCCC(=O)N1CCC(=O)NCCN(CC#N)CC1 1131395144 WIHZYFLQOWQUDT-UHFFFAOYSA-N 323.441 -0.108 30 20 DBED C[C@@H]1CCN(C(=O)CCCS(N)(=O)=O)C[C@@H]1CNCC#N 1133088175 XOIQRVRKXNXXGE-NEPJUHHUSA-N 316.427 -0.347 30 20 DBED C=C1CC(C)(C(=O)NCCNCc2cc(=O)n(C)c(=O)n2C)C1 1133566020 QXKVLAOXDTXVQB-UHFFFAOYSA-N 320.393 -0.354 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)[C@H]1C[C@@]12CCOC2 1147007746 AEZDEQSFYJMXOC-IAQYHMDHSA-N 324.381 -0.869 30 20 DBED C=CCCC(=O)N1CC2(CCN(CC(=O)NC(=O)NC)C2)C1 1147166271 VCXQZTXJOFDANE-UHFFFAOYSA-N 308.382 -0.058 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCN([C@H](C)C(=O)NC(N)=O)C2)C1 1147256205 OJKWVEWAQBBCDL-NXEZZACHSA-N 307.354 -0.736 30 20 DBED CC[C@H](C)OCC(=O)N1CC2(CCN(CC(=O)NCC#N)C2)C1 1147345600 BRCCEWFDVWXKHP-ZDUSSCGKSA-N 322.409 -0.024 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CCc2nn[nH]c2C1 1147698165 FZLCGKSNMDATTD-GHMZBOCLSA-N 320.397 -0.694 30 20 DBED Cc1c(C(=O)NCCNCC(=O)NCC#N)c(Cl)nn1C 1149313535 YAJUSFJGAQRHEB-UHFFFAOYSA-N 312.761 -0.659 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(CC(=O)NCC)CCCO1 1149383287 DOUKQSZVQNSOII-ZDUSSCGKSA-N 313.398 -0.468 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CN(CCn2cncn2)CCCO1 1149416591 UOEBJMQMYNCULL-OLZOCXBDSA-N 306.370 -0.355 30 20 DBED C=CCN1CC[C@H](N(CC)[C@H](C)CNC(=O)CC(N)=O)C1=O 1152506973 OOFCOUBFPVWHFS-NEPJUHHUSA-N 310.398 -0.525 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)c1cnnc(C)c1 1152984708 VGVRIYWHBBCLBI-GFCCVEGCSA-N 318.381 -0.135 30 20 DBED C=CCCO[C@@H](C)C(=O)NCCCNCC(=O)NC(N)=O 1155426772 KRXKHWTWUWYYLK-JTQLQIEISA-N 300.359 -0.742 30 20 DBED C=CCNC(=O)NC(=O)CNCCCNC(=O)Cc1cnoc1 1164459051 HFRHSSCIWDTVEF-UHFFFAOYSA-N 323.353 -0.675 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)[C@]1(C)CCC(=O)N1 1166111391 KITVMCKZCDYELD-ABAIWWIYSA-N 310.398 -0.558 30 20 DBED C#CCNCCCC[C@@H](C)NC(=O)CCS(=O)(=O)NC 1170762985 XAQZMYCZUIGZRH-GFCCVEGCSA-N 303.428 -0.177 30 20 DBED C#Cc1ccc(C(=O)NCCCN[C@@H]2CCC(=O)NC2=O)cn1 1171594545 GWSXNLYRVSTECS-CYBMUJFWSA-N 314.345 -0.422 30 20 DBED N#CCNC(=O)CNCCCNC(=O)[C@@H]1COc2ccccc21 1177418932 IRCWXVPFENUORO-CYBMUJFWSA-N 316.361 -0.102 30 20 DBED COCC#CCN[C@H]1CCN(C(=O)C2CS(=O)(=O)C2)[C@H]1C 1178771197 BBBOQTBQEAOSSK-AAEUAGOBSA-N 314.407 -0.740 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)CN2CCCC2)[C@H]1C 1180132231 ZAYVBTTVLPRFDN-ILXRZTDVSA-N 320.437 -0.201 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)CCn2cncn2)C1 1181005794 DIAPTGSFIPOQJZ-QWHCGFSZSA-N 320.397 -0.451 30 20 DBED C=CCNC[C@@H]1CN(C(=O)c2nnn(C)n2)CC12CCOCC2 1186464314 KFIAFIFZGQHJSC-GFCCVEGCSA-N 320.397 -0.146 30 20 DBED CCN(CCC#N)C(=O)CN[C@@H]1CCN(C(=O)c2cnon2)C1 1186479731 QDRDGUKFNDMBKP-LLVKDONJSA-N 320.353 -0.364 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)Cn2ccnc2)C1 1188375689 KFBAUUTZWCJOSI-QWHCGFSZSA-N 303.366 -0.789 30 20 DBED CC(C)C#CC(=O)N1CC[C@H](N(C)CCNS(C)(=O)=O)C1 1190053395 HXWJBVSBSWUFNM-ZDUSSCGKSA-N 315.439 -0.272 30 20 DBED C#CCOCCC(=O)N1CC[C@H](N(C)CCn2cncn2)C1 1190113367 IQHWNVOPDXUNKM-AWEZNQCLSA-N 305.382 -0.149 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2cnsn2)C[C@H]1O 1192885649 CCPUAXJOWJXDBQ-VXGBXAGGSA-N 310.379 -0.761 30 20 DBED C=C(C)C[C@@H](C)C(=O)N[C@@H]1CN(Cc2nnn(C)n2)C[C@H]1O 1195532609 QYGVVUKBSPKYCE-IJLUTSLNSA-N 308.386 -0.526 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2CCC)C1 1195990016 FBJYZDHSOQQLJU-AAVRWANBSA-N 307.394 -0.667 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C2(CF)CCC2)C1 1196320985 SCUJSMKRECPRFS-VXGBXAGGSA-N 313.373 -0.410 30 20 DBED C[C@H]1CCCN1CC(=O)N1CCCN(CC(=O)NCC#N)CC1 1197150550 SCGFRQNTKMFDLF-AWEZNQCLSA-N 321.425 -0.355 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)COCc2ccncc2)C1 1197302499 IEBJWLPIPKYQDK-HUUCEWRRSA-N 303.362 -0.217 30 20 DBED C#CCNC(=O)CC(=O)N1CCCO[C@H](CNCC(=C)C)C1 1200312890 WJYSVOHKHBDARP-CQSZACIVSA-N 307.394 -0.091 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCC(NCc2nc(=O)n(C)[nH]2)CC1 1200325134 OXGMQCGRPKDCPE-OAHLLOKOSA-N 323.397 -0.484 30 20 DBED CCNC(=O)NC(=O)CNC1CCN(C(=O)C#CC2CC2)CC1 1200435292 YASWSTFXCADJKC-UHFFFAOYSA-N 320.393 -0.174 30 20 DBED N#CCNC[C@@H]1CN(C(=O)CCCCNC(N)=O)CCCO1 1200921094 QVKSDRDCFDQPGU-GFCCVEGCSA-N 311.386 -0.444 30 20 DBED N#CCNC[C@@H]1CN(C(=O)[C@H]2CCCc3nn[nH]c32)CCCO1 1201262091 SWCHSOVOCNLQFP-NEPJUHHUSA-N 318.381 -0.045 30 20 DBED COCC#CCN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)CNC(=O)OC)C2 1204050485 QKJIEFVMMHKBJK-MGPQQGTHSA-N 323.393 -0.039 30 20 DBED C=CCNC(=O)CN[C@H]1C[C@H]2CC[C@H]1N(C(=O)CC(=O)NC)C2 1204246057 JMFWWXGUFGSCMA-FRRDWIJNSA-N 322.409 -0.606 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)C[C@H]2COC(=O)C2)[C@H](C)C1 1206870947 RZADBZPSBOAMQQ-JHJVBQTASA-N 323.393 -0.322 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCCN(C(=O)Cc2ccon2)C1 1207725223 KUUKTDIJHNMIQG-JSGCOSHPSA-N 318.377 -0.064 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCN(C(=O)c2csnn2)C1 1208806211 IXXYFNWRBOSCES-SECBINFHSA-N 308.367 -0.628 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)CCc2cnn[nH]2)C1 1209691891 ZMUXVPMMTUKSJH-ZDUSSCGKSA-N 320.397 -0.380 30 20 DBED CC(C)(NS(C)(=O)=O)C(=O)N1CCC[C@H](NCC#N)C1 1210017558 BNOQXCUYIQVCEZ-JTQLQIEISA-N 302.400 -0.582 30 20 DBED CCN1CCO[C@H](C(=O)N[C@@H]2CN(CC#CCOC)C[C@H]2C)C1 1211184596 XBCVVJNQBXFATR-OAGGEKHMSA-N 323.437 -0.207 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(CC(=O)N[C@@H](C)C2CC2)C[C@@H]1O 1219589207 SVGWRAOXUFXZIP-CFVMTHIKSA-N 321.421 -0.278 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@]2(CC(C)C)CCNC2=O)C1 1219827800 NDKYHLCZUKKDBI-KEYYUXOJSA-N 321.421 -0.277 30 20 DBED CC1(C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@@H]2O)C[C@@H]2C[C@H]2C1 1220052081 RNFLZYLRANMYQW-RVMXOQNASA-N 320.393 -0.776 30 20 DBED Cc1ccc(C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@@H]2O)cc1 1220836807 GADBZDGYGZXCGB-KGLIPLIRSA-N 316.361 -0.590 30 20 DBED CCOCCNC(=O)CN1CC[C@@H]2CN(C(=O)[C@@H](C)C#N)[C@@H]2C1 1221446369 GZJJEJFRYUIXAZ-BFHYXJOUSA-N 322.409 -0.169 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@H]2CCN(Cc3nncn3C)C[C@H]21 1221539205 QKZDMWUALLQING-BFHYXJOUSA-N 317.393 -0.114 30 20 DBED CC#CCN1CCC(CNC(=O)CCCS(N)(=O)=O)CC1 1224282788 BSLUIIZVYMFVSY-UHFFFAOYSA-N 315.439 -0.093 30 20 DBED Cn1nccc1CC(=O)NC1CCN(CC(=O)NCC#N)CC1 1227060757 NUUDLKBLEYLCDK-UHFFFAOYSA-N 318.381 -0.817 30 20 DBED C#CCNC(=O)CC(=O)N(C)C[C@H]1CCN1Cc1nc(C)no1 1233811459 XITURGZSLHQWRF-GFCCVEGCSA-N 319.365 -0.450 30 20 DBED C#CCCCC(=O)N(C)C[C@@H]1CCN1[C@H](C)C(=O)NC(N)=O 1233946630 BYLREGFPAKEGCM-NEPJUHHUSA-N 308.382 -0.094 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)C1(N(C)C)CCC1 1235317867 CRFDVSYIZQBNAR-CQSZACIVSA-N 320.437 -0.247 30 20 DBED N#Cc1ncn(CC(=O)NCCCCN2CCC[C@H]2CO)n1 1324567574 ZRAJCXIMZKGIGW-LBPRGKRZSA-N 306.370 -0.497 30 20 DBED C[C@H](CCO)N(C)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1328644464 ZQGHSTBTZVOWNE-JBEXSADBSA-N 310.354 -0.075 30 20 DBED C#CCN1CCC[C@@H](NC(=O)NCc2nnc3n2CCOC3)C1 1331275385 BTWCYXFMCCBHRQ-GFCCVEGCSA-N 318.381 -0.295 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@]2(C)CC(C)=NO2)CC1 1335894432 SXKZMXXSFNEWRE-HNNXBMFYSA-N 306.366 -0.565 30 20 DBED CC(C)(C(N)=O)N1CCN(CC(=O)NC2(C#N)CCC2)CC1 1346218379 RHXHMBAUABGCDY-UHFFFAOYSA-N 307.398 -0.570 30 20 DBED O=C(C#CC1CCNCC1)N1CC[C@@H]2CS(=O)(=O)C[C@@H]2C1 1349621135 OSQZSXWWKPMFIP-KGLIPLIRSA-N 310.419 -0.118 30 20 DBED N#C[C@]1(F)CCN(C(=O)C(=O)N2CC[C@@H](N3CCOC3=O)C2)C1 1350238339 DNWCAVIIKILUFZ-QMTHXVAHSA-N 324.312 -0.496 30 20 DBED C#CCOCCn1nnnc1N1C[C@H](C)[C@@](C)(C(=O)OC)C1 1355802160 SQPJRQAIPNRDNS-FZMZJTMJSA-N 307.354 -0.042 30 20 DBED N#Cc1ccc(NCC(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)nc1 1362137189 WPFGTVNNFATUMT-MNOVXSKESA-N 303.322 -0.486 30 20 DBED C[C@@H]1COC[C@H]1NC(=O)NCCn1cc(C#N)c(O)nc1=O 1365263827 RYYYYOXPJILMNM-PSASIEDQSA-N 307.310 -0.845 30 20 DBED CO[C@H](C(=O)NCCN1CCN(C(=O)[C@H](C)C#N)CC1)C1CC1 1372214815 WLLYREQGBHNRPD-OCCSQVGLSA-N 322.409 -0.169 30 20 DBED C[C@@H](CNC(=O)C1CCS(=O)(=O)CC1)NC(=O)[C@H](C)C#N 1377973935 VHRHFIYBXQZKPE-ZJUUUORDSA-N 315.395 -0.408 30 20 DBED Cc1nc[nH]c1C(=O)N1CCN(CCNC(=O)[C@@H](C)C#N)CC1 1385533995 AIBOEFYDBNHUSF-NSHDSACASA-N 318.381 -0.248 30 20 DBED Cc1occc1C(=O)NCC(=O)NC1CN(C(=O)[C@@H](C)C#N)C1 1387748147 OHJKGKOTKMPMEU-VIFPVBQESA-N 318.333 -0.196 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)CCc2nccn2C)C1 1396434293 NZJFIWDMWLPEJP-TUAOUCFPSA-N 319.365 -0.800 30 20 DBED C[C@H](C#N)C(=O)N1CC(CNC(=O)CCn2cnccc2=O)C1 1398808785 AZYSVCSVFRCZJB-LLVKDONJSA-N 317.349 -0.632 30 20 DBED COCc1cncc(C(=O)NC[C@H](O)CNC(=O)[C@@H](C)C#N)c1 1399873217 UNJXNYYTHCHUAH-GXFFZTMASA-N 320.349 -0.405 30 20 DBED Cc1ccnn1CC(=O)N(C)C[C@H](O)CNC(=O)[C@@H](C)C#N 1405603079 QJZLVJVXOHLGNV-CMPLNLGQSA-N 307.354 -0.713 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1nccn2ccnc12 1410149336 MCGGWKTWZYJCGG-VHSXEESVSA-N 316.321 -0.904 30 20 DBED CCOC(=O)CC1(NC(=O)[C@H](C)n2cnc(C#N)n2)COC1 1412760254 QMWZUMRBXYSTDA-VIFPVBQESA-N 307.310 -0.451 30 20 DBED CCc1c(C(=O)NC[C@H](O)CNC(=O)[C@@H](C)C#N)ccn1C 1416783698 YTFNWCXETCYDFY-WDEREUQCSA-N 306.366 -0.046 30 20 DBED CCN(CCC#N)C(=O)CN1CC(O)(CNC(=O)[C@@H](C)C#N)C1 1423830585 RMCVPGPZBYBQRE-LBPRGKRZSA-N 321.381 -0.929 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]1CN(C)C(=O)CN1CCOCC1=O 1429017401 RXWMRVYAGOLDJY-VXGBXAGGSA-N 322.365 -0.936 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)CCc1ccnn1C 1431539579 MJBPEWMCVJOGQL-JQWIXIFHSA-N 307.354 -0.894 30 20 DBED C[C@H](C#N)C(=O)NCC1CN(C(=O)[C@@H](C)CS(C)(=O)=O)C1 1432476077 JGPHELZKNZHVLY-ZJUUUORDSA-N 315.395 -0.599 30 20 DBED C=C(Cl)CNC[C@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 1442128214 ZYQHKTPHIDYXHQ-LLVKDONJSA-N 313.789 -0.228 30 20 DBED CN(CCNC(=O)c1cc(C#N)c[nH]1)C(=O)c1cnn(C)n1 1455191571 HJSJXODZNOUHQR-UHFFFAOYSA-N 301.310 -0.483 30 20 DBED CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C1(C#N)CCOCC1 1471646931 FOGBHBDZXGYJSY-NSHDSACASA-N 305.338 -0.497 30 20 DBED C#CCNC(=O)CN[C@@H](C)CCNC(=O)[C@@H]1CCNC(=O)CC1 1484996001 CFTHUXCLKPWVIW-STQMWFEESA-N 322.409 -0.864 30 20 DBED CCN1C[C@@H](C(=O)N(CC)CCNC(=O)[C@H](C)C#N)CC1=O 1496937633 JOJDVGYGLYWFMQ-NEPJUHHUSA-N 308.382 -0.021 30 20 DBED C=CCC1(O)CN(C(=O)C[C@@H]2CS(=O)(=O)[C@@H]3CNC[C@H]23)C1 1574899830 JFYHRESTUKWPMB-IJLUTSLNSA-N 314.407 -0.842 30 20 DBED C=C(C)CNC[C@H](O)CNC(=O)[C@@H]1CCCN1Cc1cnn[nH]1 1575053854 LJGBHNHYCLSTKV-KBPBESRZSA-N 322.413 -0.588 30 20 DBED CN(CCC#N)C(=O)CCN1CCC[C@@H](C(=O)NCCN)C1 1578461007 FHSOTCIOMXXLMP-CYBMUJFWSA-N 309.414 -0.465 30 20 DBED CNC[C@H](O)CN(C)C(=O)NCCNc1ccc(C#N)cn1 1578646781 KRPOFQZHWXVTOL-LBPRGKRZSA-N 306.370 -0.413 30 20 DBED N#Cc1cccc(-c2nn[nH]n2)c1NC[C@@H](O)Cn1ccnn1 1581874605 YXKFLPZSEWWUNC-SNVBAGLBSA-N 311.309 -0.197 30 20 DBED C#CCCNC1CCN(CCNC(=O)[C@@H]2C[C@H]2C(=O)O)CC1 1588453721 OWUJEZJWLIGWNM-ZIAGYGMSSA-N 307.394 -0.099 30 20 DBED C[C@@](CO)(NS(=O)(=O)c1ccc(C#N)cc1F)C(=O)O 1592755296 DEEMUJDFEKEGLK-NSHDSACASA-N 302.283 -0.189 30 20 DBED Cc1onc(CC(=O)N2CCC[C@H]2C(=O)NCC(=O)O)c1C#N 1600863370 YLDFUOYUMJNIBC-NSHDSACASA-N 320.305 -0.411 30 20 DBED N#Cc1ccccc1OC[C@H](O)CN1C[C@@H](O)C[C@@H]1C(=O)O 1601126991 ZBZZQPZOZYYSSV-YNEHKIRRSA-N 306.318 -0.182 30 20 DBED CCN1CCC[C@@H](Nc2cnc(C#N)c(-c3nn[nH]n3)n2)C1=O 1604340982 PQNHZTIRSAXPIW-MRVPVSSYSA-N 313.325 -0.049 30 20 DBED COc1ccc(NC(=O)NCC(=O)NCC(=O)O)cc1C#N 1607274239 LIMAJSKYKNPRLR-UHFFFAOYSA-N 306.278 -0.111 30 20 DBED CC(=O)NCC[C@@H]1CCCN(C(=O)Cn2cnc(C#N)n2)C1 1645796529 SUWPCDUZRFVRFH-LBPRGKRZSA-N 304.354 -0.085 30 20 DBED C[C@@H](OC(=O)C(C)(C)C#N)C(=O)N[C@@H]1CCS(=O)(=O)C1 1647162666 GTKUWFRQHLUEDD-RKDXNWHRSA-N 302.352 -0.229 30 20 DBED Cc1cnn(C)c1S(=O)(=O)NC(=O)[C@@H](C)n1cnc(C#N)n1 1647205814 YHBXTYLMIWYUQP-MRVPVSSYSA-N 323.338 -0.742 30 20 DBED C=CCNC(=O)NC(=O)CN1CC[C@H](NC(=O)CCOC)C1 1690081950 GHECSBDCICLNEU-NSHDSACASA-N 312.370 -0.775 30 20 DBED C#CCCCCC(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[nH]2)C1 1713820760 PNGQZXRXSQDYFF-LBPRGKRZSA-N 305.382 -0.008 30 20 DBED C=CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)CCCC(N)=O)C1 1752608497 XLHKLNWBLNCQPO-RYUDHWBXSA-N 310.398 -0.477 30 20 DBED C#CCNC(=O)CN1CC(NC(=O)[C@H](C)Cc2cnc[nH]2)C1 1753388158 LFRBMUHCRXALEL-LLVKDONJSA-N 303.366 -0.862 30 20 DBED CC[C@H](CNC(=O)C[C@@H]1CCCC(=O)N1)NCC(=O)NCC#N 1753479029 LBJSLRJIUYLLAB-NEPJUHHUSA-N 323.397 -0.831 30 20 DBED C#CCNC(=O)[C@@H](C)NCC[C@H](C)NC(=O)c1cnn(CC)n1 1753963228 HMDSXIZVXXUNTR-NWDGAFQWSA-N 320.397 -0.466 30 20 DBED C=CCNC(=O)CNC[C@H]1CCCC[C@@H]1NC(=O)c1cnn[nH]1 1754346079 QVLDASROENOIKC-NEPJUHHUSA-N 320.397 -0.015 30 20 DBED N#CCNC(=O)CN1CC[C@H]1CNC(=O)c1cnn(CCF)c1 1754487464 JGLYWUJXILEEJU-LBPRGKRZSA-N 322.344 -0.704 30 20 DBED C=CCNC(=O)[C@H](C)N1CC(N(C)C(=O)[C@@H]2CCC(=O)N2)C1 1754584765 NGICWWPRCRGXRK-JQWIXIFHSA-N 308.382 -0.902 30 20 DBED CC(C)CCC(=O)NC[C@]1(O)CCN(CC(=O)NCC#N)C1 1754747912 TYHOABGSHMGVAU-OAHLLOKOSA-N 310.398 -0.385 30 20 DBED C#CCN1CC(O)(CNC(=O)c2ccn(C3CCOCC3)n2)C1 1754767559 SIBAGBWXCOTRPH-UHFFFAOYSA-N 318.377 -0.356 30 20 DBED C#CCN1CC(O)(CNC(=O)c2ccc3c(c2)NC(=O)CO3)C1 1754769259 SNGKZFSCYXRTPM-UHFFFAOYSA-N 315.329 -0.573 30 20 DBED C#CCNC(=O)[C@@H](C)NCCN(CCO)C(=O)[C@@H]1CC1(F)F 1754882307 ZAIFQRVPNRAAFN-MNOVXSKESA-N 317.336 -0.810 30 20 DBED C#CCNC(=O)CNCCN(CCO)C(=O)[C@H]1CCC[C@H](C)C1 1754890394 QHJCARDXZXNDDP-GJZGRUSLSA-N 323.437 -0.027 30 20 DBED C=C(C)CNC1(C)CCN(C(=O)Cn2cnc(C(N)=O)n2)CC1 1755128138 UIJDPXOPNZRMEL-UHFFFAOYSA-N 320.397 -0.076 30 20 DBED C=CCNC(=O)CN(C)[C@H](C)CNC(=O)Cc1cncn1C 1755323235 HFEYFQLJZGLXLR-GFCCVEGCSA-N 307.398 -0.299 30 20 DBED C=CC(C)(C)C(=O)N(C)C[C@H](O)CN[C@@H](C)c1nnnn1C 1755784958 FAAWEPXKIRYHDU-WDEREUQCSA-N 310.402 -0.108 30 20 DBED C=CCOCC(=O)N(C)[C@H](C)CNC(=O)c1cnc(O)n1C 1756054221 JDZBPYVJTIMHIR-SNVBAGLBSA-N 310.354 -0.095 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@H]1C[C@H](CNC(=O)c2nnn(C)n2)C1 1756249189 TVRMPWUSZLTGAF-GPCCPHFNSA-N 322.369 -0.838 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(C(=O)Cc2ccc[nH]2)C[C@@H]1O 1757564049 QSXFQPSESVZXKN-KBPBESRZSA-N 321.377 -0.162 30 20 DBED CC(=O)O[C@@H]1CCN(S(=O)(=O)N[C@@H](CCC#N)C(=O)O)C1 1776208730 BIJMEHLTLYZSAK-ZJUUUORDSA-N 319.339 -0.785 30 20 DBED COC(=O)Cn1cc(/C=C\C(=O)c2cn(CC(=O)O)nn2)nn1 1777109727 FXTPAAOZNNTCIV-IHWYPQMZSA-N 320.265 -0.977 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCCOC1)C2 1800456110 JSSULWPNTZSVEY-GUIRCDHDSA-N 306.362 -0.364 30 20 DBED C[C@H](CN)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC(=O)O 1801988667 GYZYPHAIFPORJT-WISYIIOYSA-N 307.350 -0.693 30 20 DBED N#Cc1cccnc1N1CCN(CCN2C(=O)CNC2=O)CC1 101543853 YHTPOQJTWUJLIB-UHFFFAOYSA-N 314.349 -0.373 30 20 DBED C[C@@H](CC#N)OC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 113689066 AQIYTNSGACUZHT-QMMMGPOBSA-N 305.294 -0.721 30 20 DBED C#CCN1CCN(C(=O)CN2CCS[C@H]3COCC[C@@H]32)CC1 135546748 WLKBCUJPAADVSL-GJZGRUSLSA-N 323.462 -0.030 30 20 DBED C=CCN1CC[C@H](N2CCN(C(=O)C(=O)NC3CC3)CC2)C1=O 282035562 QMPNBFXLCSHDST-ZDUSSCGKSA-N 320.393 -0.804 30 20 DBED CN1CCN(C(=O)CC/N=C(/O)N[C@@H]2CC[S@](=O)C2)CC1 330001518 YBVHKGBPBXKXQC-FIKIJFGZSA-N 316.427 -0.825 30 20 DBED COCn1nccc1S(=O)(=O)NCC/N=C(/O)N(C)C 331116366 VOMHDQMUWILUDA-UHFFFAOYSA-N 305.360 -0.759 30 20 DBED N#C[C@H]1CN(S(=O)(=O)NCCc2cscn2)CCO1 336948641 QUNLOZGDORIXLM-JTQLQIEISA-N 302.381 -0.256 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H]1C(=O)NCC[C@@H]1C 337206933 NLNOYATULAXWHW-OUAUKWLOSA-N 302.400 -0.173 30 20 DBED CNC(=O)[C@]1(C)CCN(S(=O)(=O)N(C)[C@H](C)CC#N)C1 337810800 LQHIZRUSBPZJCV-ZYHUDNBSSA-N 302.400 -0.077 30 20 DBED N#CCCNS(=O)(=O)c1ccc(C(=O)Nc2nn[nH]n2)cc1 342852673 OUROXLNOXZHAPR-UHFFFAOYSA-N 321.322 -0.356 30 20 DBED N#Cc1ccc(NCC(=O)N2CCC(CC(N)=O)CC2)nc1 345225093 XMDLQNVJPIIKJG-UHFFFAOYSA-N 301.350 0.479 30 20 DBED N#Cc1ccc(NC(=O)C(=O)NC[C@]2(O)CCOC2)cc1F 354340185 PRNCPRDLTURDDO-CQSZACIVSA-N 307.281 -0.097 30 20 DBED C=CCNC(=O)NC(=O)CN1CCN(Cc2ncc[nH]2)CC1 357735823 HLTJQOWUPHEROQ-UHFFFAOYSA-N 306.370 -0.461 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CCCC[C@H]2CN)nn1 424547529 ORKIDLOIMSUHQI-LBPRGKRZSA-N 306.370 -0.580 30 20 DBED Cc1cc(NC(=O)C(=O)N[C@H]2C[C@@H](O)C2(C)C)nn1CCC#N 426851274 OMAYEUUSTHQJHK-WDEREUQCSA-N 319.365 0.319 30 20 DBED C=CCOC[C@H](NC(=O)[C@@H](C)N1C(=O)CCC1=O)C(=O)OC 559596878 MOHRNYOYPVCJMK-ZJUUUORDSA-N 312.322 -0.616 30 20 DBED C=CCCn1cc(C(=O)N(C2CC2)[C@H]2CC(=O)NC2=O)nn1 564562262 FAXZHEFFTQMHCQ-NSHDSACASA-N 303.322 -0.126 30 20 DBED CN1CC[C@]2(CCN(S(=O)(=O)N3CCO[C@H](C#N)C3)C2)C1 566597020 QFHQCFBEJGQJNA-OLZOCXBDSA-N 314.411 -0.517 30 20 DBED CCOC(=O)C1CCN(S(=O)(=O)N2CC(C#N)C2)CC1 590089872 WCXCFHDDKFOEQD-UHFFFAOYSA-N 301.368 -0.038 30 20 DBED N#Cc1cccc(S(=O)(=O)N2CC(N3CC[C@@H](O)C3)C2)c1 593650137 TZFSEPGKSLFJFT-CYBMUJFWSA-N 307.375 -0.002 30 20 DBED CCn1ccc(NC(=O)C(=O)N(CCC#N)CCCN(C)C)n1 595005319 WTIJDMOXGAODLA-UHFFFAOYSA-N 320.397 0.535 30 20 DBED CC(C)C[C@@H](C#N)NC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1 597073437 HUPLDKANNXZWNC-MNOVXSKESA-N 302.400 -0.044 30 20 DBED C=C[C@](C)(O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 668860464 KDYLPCNMWUOHDN-AWEZNQCLSA-N 308.338 -0.383 30 20 DBED C=C(Br)COC(=O)Cn1cc(S(N)(=O)=O)cn1 748422365 NSIAILDBFOREGX-UHFFFAOYSA-N 324.156 -0.018 30 20 DBED COCC#CCOC(=O)[C@@H](C)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 762839173 QVRBGDIWGYVDGM-VEGXAWMVSA-N 321.329 -0.270 30 20 DBED C#CCCCN1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 766895484 NNCHOHKMUIVZJP-UHFFFAOYSA-N 314.455 -0.490 30 20 DBED C[C@](C#N)(CC(=O)O)C(=O)NC[C@@H]1CCC[C@@]12NC(=O)NC2=O 819834235 MBOIOWBPAITUDJ-MCCGJVOXSA-N 322.321 -0.515 30 20 DBED Cn1c(N[C@H]2CCC[C@H]2C#N)c(-c2nn[nH]n2)c(=O)n(C)c1=O 822600647 OVCXXMXINRPDCI-YUMQZZPRSA-N 316.325 -0.632 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)Cc2nonc2C)CC1 845442837 QTTUVHAWMNJTDU-UHFFFAOYSA-N 319.365 -0.796 30 20 DBED C#C[C@@H](NC(=O)C(=O)Nc1cncc(OC)n1)[C@@H]1CCCO1 845924007 ZJLQZDJJQKKJIU-ZJUUUORDSA-N 304.306 -0.279 30 20 DBED C#C[C@@H](NC(=O)C(=O)NCCN1CCCC1=O)[C@H]1CCCO1 846737704 MBJCYIPUDNVQDY-VXGBXAGGSA-N 307.350 -0.978 30 20 DBED C#CCNS(=O)(=O)N1CCN([C@@H]2CC[C@@H](OC)C2)CC1 851873522 CCUVFXNFCUFDHV-CHWSQXEVSA-N 301.412 -0.361 30 20 DBED C#CCCS(=O)(=O)NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 860722049 QQYUNPOAHBIJIG-JTQLQIEISA-N 322.408 -0.873 30 20 DBED COC(=O)C[C@H](O)CNC(=O)C#Cc1ccc2c(c1)OCO2 863016451 MYPHUCHXFGTHSS-NSHDSACASA-N 305.286 -0.193 30 20 DBED C#CCN1CCC[C@@H](NC(=O)NCCOCC(=O)OCC)C1 884389024 MYEXZRRHYMXRTK-CYBMUJFWSA-N 311.382 -0.037 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)NO[C@H](C)C=C)CC1 895578763 SWHLUSQTWHNRCZ-LLVKDONJSA-N 316.383 -0.713 30 20 DBED C[C@H](NS(=O)(=O)c1ccc(C#N)nc1)[C@@H]1CN(C)CCN1C 920010645 QHZQZWOZDAYUTI-FZMZJTMJSA-N 323.422 -0.134 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@H](NC(=O)[C@@H]2CN(C)C(=O)N2)C1 938411342 OKVINGQKMVRYFP-QWRGUYRKSA-N 308.382 -0.061 30 20 DBED Cn1cc(C(=O)N2CC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)nn1 940099115 RBCXQXDSCMHXBA-SNVBAGLBSA-N 313.321 -0.341 30 20 DBED C=CCCn1cc(C(=O)NC[C@@H]2CCN2C(=O)CC(N)=O)nn1 950184095 IIQKLWBMKBCPAA-JTQLQIEISA-N 320.353 -0.940 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H](NC(=O)c2cn(C)c(=O)n2C)C1 951869961 MBHAIVXDSUCXPZ-MNOVXSKESA-N 319.365 -0.396 30 20 DBED C=CCN1C[C@H](O)[C@H](CNC(=O)c2cc(CN(C)C)on2)C1 958201120 WGNORWVCWZDWKP-RISCZKNCSA-N 308.382 -0.055 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cccn3c(O)nnc23)C1 958587128 GLHFZBQEGGPTHC-CMPLNLGQSA-N 315.333 -0.909 30 20 DBED CC#CCN1C[C@@H](O)[C@@H](CNC(=O)c2c3c(nn2C)CCC3)C1 958588836 YYGWWOULDCYQJW-SWLSCSKDSA-N 316.405 -0.045 30 20 DBED CC#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cncc(C(N)=O)c2)C1 958692548 BJTWHMDSXRCPJJ-UONOGXRCSA-N 316.361 -0.774 30 20 DBED CC#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cc(C(N)=O)ccn2)C1 958774536 ZKEAFIYBWCAROJ-GXTWGEPZSA-N 316.361 -0.774 30 20 DBED C#CCN1C[C@@H]2C(NC(=O)c3cc4c(=O)[nH]c(C)cn4n3)[C@H]2C1 961352102 XFFBULDCWFIRAW-QWRGUYRKSA-N 311.345 -0.376 30 20 DBED C=CCN1C[C@H]2[C@H](NC(=O)Cn3nc4ccccn4c3=O)[C@H]2C1 961412879 OUZXPROHUJSOKX-JYAVWHMHSA-N 313.361 -0.272 30 20 DBED CC(=O)N1CC(C(=O)N2C[C@H]3CN(C(=O)[C@@H](C)C#N)C[C@H]3C2)C1 961453154 QPXJGOKWRDZFCP-WCFLWFBJSA-N 318.377 -0.459 30 20 DBED C#Cc1ccc(C(=O)NC2[C@@H]3CN([C@@H](C)C(=O)NC)C[C@@H]23)nc1 962343345 OWDQKPGPDDBBGR-CYZMBNFOSA-N 312.373 -0.143 30 20 DBED C=C1CC(C)(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@@H]3COC(=O)N3)C2)C1 962680430 VQHGHVPSVUOBAF-VWYCJHECSA-N 323.349 -0.861 30 20 DBED C=CCCn1cc(C(=O)N2CC3(CN(C(C)=O)CCO3)C2)nn1 965258192 HEMFCBKHUZUWFN-UHFFFAOYSA-N 319.365 -0.073 30 20 DBED C[C@@H](C#N)C(=O)N1CC(N2CCN(C(=O)C(F)F)CC2)C1 967167830 VXDATWSNPVLLBB-VIFPVBQESA-N 300.309 -0.234 30 20 DBED CN1CC[C@H](N[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)C1=O 968411136 YAHKSNODOLGHEW-YPMHNXCESA-N 301.350 -0.079 30 20 DBED C[C@H](NC(=O)[C@@H]1CCc2nnn(C)c2C1)C1CN(CC#N)C1 970335850 OXNPPEBYUBNBAT-WDEREUQCSA-N 302.382 -0.120 30 20 DBED CC#CCN1CC([C@H](C)NC(=O)[C@H]2CN(C(C)=O)CCO2)C1 970826250 QCHLBQQXOZTCBP-SWLSCSKDSA-N 307.394 -0.307 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)Cc3ccn(C)n3)C2)C1 972382458 PWMAKTWIZDPYJM-MRXNPFEDSA-N 302.378 -0.101 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)C(N)=O)C[C@H]21 975259923 BSASCRJLBIVXHB-KKOKHZNYSA-N 307.350 -0.878 30 20 DBED C#CCCN1C[C@@H]2C(CNC(=O)c3cn(C)c(=O)nc3O)[C@H]2C1 979056586 CMNUBOQPQRAJGA-VXGBXAGGSA-N 316.361 -0.583 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC(NC(=O)c3nccnc3N)C2)c1 990543530 XBOKAHORIPTTPD-UHFFFAOYSA-N 311.305 -0.487 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1CNC(=O)[C@H]1CCNC1=O 994420249 RSENSPJIQNNDDJ-BNOWGMLFSA-N 317.389 -0.253 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CCCOC2)C1 994749403 AWOLHLZXCDBBDA-HIFRSBDPSA-N 319.405 -0.162 30 20 DBED C#Cc1cncc(C(=O)NC2CN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C2)c1 999315841 CRWOKJPGNVXXOX-FICVDOATSA-N 311.341 -0.104 30 20 DBED CC1(C)CN(C(=O)C(N)=O)C[C@@H]1NC(=O)c1ccc(C#N)[nH]1 1008059500 LQBHHZGSFITQAG-JTQLQIEISA-N 303.322 -0.662 30 20 DBED C=CCN1CCC[C@@H](NC(=O)Cn2ncn3nccc3c2=O)C1 1008739752 VTWZPGUYHCFGHA-GFCCVEGCSA-N 316.365 -0.342 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H]2[C@H](CNC(=O)[C@H]3CNC(=O)N3)[C@H]2C1 1009446834 SEFZPJXFBDDORV-WISYIIOYSA-N 320.393 -0.299 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C(=O)c2cccn(C)c2=O)CC1 1011794444 KHSIXMWLRHLEOU-NSHDSACASA-N 302.334 -0.171 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)C(N)=O)[C@@H]2C)nc1 1011938775 UGEZUFFPEJQLFB-ONGXEEELSA-N 300.318 -0.733 30 20 DBED C[C@@H](C#N)C(=O)N1CCCO[C@H](CNC(=O)c2ccncn2)C1 1019654348 TZZQOEKJIRZGNR-NWDGAFQWSA-N 317.349 -0.016 30 20 DBED Cn1[nH]c(CN[C@H]2C[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)nc1=O 1021984021 KHXKGYKNVWJTHG-AOOOYVTPSA-N 315.337 -0.641 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)C2=COCCO2)C1 1022979482 DBSODRITZHFVBT-GHMZBOCLSA-N 310.350 -0.225 30 20 DBED CCc1c(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2O)cnn1C 1024557810 AYOLTNSFNSIARX-IRUJWGPZSA-N 319.365 -0.556 30 20 DBED C#CCN(C)[C@H]1CCCN(C(=O)c2cn(C)c(=O)n(C)c2=O)C1 1027600867 NEHRGCXCWSVSGE-LBPRGKRZSA-N 318.377 -0.746 30 20 DBED C=CCN1CC[C@@H](N2CC[C@H](N(C)C(=O)c3cnn[nH]3)C2)C1=O 1033222828 SHRSGIRFMCQFGE-WCQYABFASA-N 318.381 -0.262 30 20 DBED C=CCCN1CCCC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 1034219644 OVOTZNYHAJHZBE-GFCCVEGCSA-N 320.397 -0.076 30 20 DBED C#CCN1CCO[C@H](CNC(=O)[C@H]2CCc3cnn(C)c3C2)C1 1035491504 QPADTHWRFVPACE-DZGCQCFKSA-N 316.405 -0.025 30 20 DBED C#CCN1CC2(CCN(C(=O)[C@@H]3CCS(=O)(=O)C3)CC2)C1 1035746405 YMSYBIXXJVWTMK-CYBMUJFWSA-N 310.419 -0.021 30 20 DBED C#CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1ccc(-n2cnnn2)cn1 1037524761 WIHSOXCOIPOUDB-DDTOSNHZSA-N 309.333 -0.507 30 20 DBED C#CCN1CCC(C(=O)N[C@@H]2[C@H]3C[C@H]2N(CCCO)C3)CC1 1037732305 BPRRIKQRRVSNRM-ARFHVFGLSA-N 305.422 -0.097 30 20 DBED C[C@@H](c1nnnn1C)N1CC[C@@H]1CNC(=O)c1ccc(C#N)[nH]1 1038172635 JCLAORPTZYBGQQ-GXSJLCMTSA-N 314.353 -0.025 30 20 DBED N#CCN1CCC[C@@]2(CCN(C(=O)CN3CCNC(=O)C3)C2)C1 1040329453 ULCGXWZVSKPHKG-MRXNPFEDSA-N 319.409 -0.744 30 20 DBED C[C@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)c2cnnc(O)c2)C1 1040759164 FKCRGZVHRBQUNT-OTYXRUKQSA-N 319.321 -0.965 30 20 DBED Cn1cnc(C(=O)N[C@@H]2CN(c3cncc(C#N)n3)C[C@H]2O)c1 1040987450 KKVWIIATNRJBFX-ZYHUDNBSSA-N 313.321 -0.939 30 20 DBED C=C(C)CCC(=O)N1CC(O)(CNC(=O)c2ccc(O)nn2)C1 1041340349 IECSZOJADAJBMX-UHFFFAOYSA-N 320.349 -0.158 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)c2cc(C#N)c[nH]2)C1 1042391998 LXWLMLBTJXRUII-UHFFFAOYSA-N 314.345 -0.151 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)c2ccnc(O)c2)C1 1042510958 WXIZAUZZWQMHCX-VIFPVBQESA-N 304.306 -0.750 30 20 DBED CO[C@@H]1CN(c2cc(C)ncc2C#N)C[C@H]1NC(=O)C(N)=O 1042956312 LSHYOFBCFFZPDM-ZYHUDNBSSA-N 303.322 -0.933 30 20 DBED C=C(C)CCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCCNC2=O)C1 1043314818 IUMVAXSNYMNCJD-GFCCVEGCSA-N 323.393 -0.442 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)[C@@H](F)C(C)C)C1 1044964048 CRBSMOBUTOAFJQ-NEPJUHHUSA-N 314.357 -0.292 30 20 DBED CC#CCCCC(=O)NCC1(O)CN(C(=O)[C@H]2COCCO2)C1 1045003433 TWVAXVRRFVTMEF-CYBMUJFWSA-N 324.377 -0.715 30 20 DBED C=CCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2C(=O)OC)C1 1045451472 RSRRZZSRHQFYAK-VXGBXAGGSA-N 324.377 -0.159 30 20 DBED C#CCN1CC[C@@H](N2CCN(C(=O)CC3OCCCO3)CC2)C1 1046021656 CNZBSNCAQDDFAM-OAHLLOKOSA-N 321.421 -0.009 30 20 DBED Cc1nc(C)c(C(=O)NCC2(O)CN(C(=O)[C@H](C)C#N)C2)[nH]1 1046763150 MQAREUNSFQFNPU-MRVPVSSYSA-N 305.338 -0.511 30 20 DBED CC#CCN1C[C@H]2C[C@H](NC(=O)c3nnc(O)nc3O)C[C@H]1C2 1047104305 SBTGBCZIYPASAM-GARJFASQSA-N 317.349 -0.111 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cncc(OC)n2)C1 1047551589 RPRXOOQJEHYPKB-STQMWFEESA-N 304.350 -0.374 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)N1C[C@H](O)[C@@H](N(C)C(C)=O)C1 1047967115 LPKZGJJPYWYMTN-RDBSUJKOSA-N 311.382 -0.493 30 20 DBED CC#CCN1C[C@H]2CN(C(=O)CN3C(=O)CCC3=O)C[C@H]2C1 1049206673 WYBQEJKSIAHBQW-BETUJISGSA-N 303.362 -0.451 30 20 DBED C=C(Cl)CN1CCOC[C@@H]1CNC(=O)[C@@H]1COC(=O)N1 1050901655 CKUKUFMQNILFQM-UWVGGRQHSA-N 303.746 -0.336 30 20 DBED N#Cc1ccc(CNC[C@@H]2CN(C(=O)CC(N)=O)CCO2)cc1 1051504408 HDXJVEXEQCKSKL-CQSZACIVSA-N 316.361 -0.249 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1C 1051921673 LZSKWLOJIBXVIM-STQMWFEESA-N 318.381 -0.313 30 20 DBED CCn1nncc1C(=O)N1CC[C@@H](N2CCN(CC#N)CC2)C1 1052024601 HUWLPHPRUUINFC-CYBMUJFWSA-N 317.397 -0.346 30 20 DBED C#CCN1CCN([C@H]2CCN(C(=O)[C@@H]3CCN(C)C3=O)C2)CC1 1052066707 XSIAFTJQLSFZTG-LSDHHAIUSA-N 318.421 -0.684 30 20 DBED C=CCOCC(=O)N1C[C@@H](C)[C@H](CNC(=O)c2cn(C)nn2)C1 1052221948 VYPILRLFCSSMFE-VXGBXAGGSA-N 321.381 -0.158 30 20 DBED CN1CC[C@@H](N2CC3(CN(C(=O)C#CC4CC4)CCO3)C2)C1=O 1053244211 GQZRNXXLVHCRLN-CQSZACIVSA-N 317.389 -0.456 30 20 DBED CO[C@@H]1COCC[C@@H]1CC(=O)N1CCOC2(CN(CC#N)C2)C1 1053284954 IBLOMMHRUUTQAA-ZIAGYGMSSA-N 323.393 -0.135 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)[C@H]3CCCNC3=O)CO2)C1 1053836183 UGMGNELINNECOG-OLZOCXBDSA-N 305.378 -0.505 30 20 DBED CCOc1cc(C(=O)N[C@H]2COC3(C2)CN(CC#N)C3)[nH]n1 1053839483 GUJLUYFANBBNIT-SNVBAGLBSA-N 305.338 -0.095 30 20 DBED C=CCC(C)(C)C(=O)NCCN1CCC(NC(=O)C(N)=O)CC1 1055577427 JIVYSEGRMTXCKO-UHFFFAOYSA-N 324.425 -0.229 30 20 DBED N#Cc1cncc(N2C[C@H]3C(NC(=O)[C@H]4CCC(=O)N4)[C@@H]3C2)n1 1056146655 JDQCZOQAOLHVMM-GMTAPVOTSA-N 312.333 -0.822 30 20 DBED CNC(=O)CC(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)[C@@H](C)C#N 1056363146 IHZVGKSYWXFGTH-QJPTWQEYSA-N 306.366 -0.126 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)Cc1cccnc1 1057193925 UXFISBLUVOKUDO-UHFFFAOYSA-N 321.377 -0.236 30 20 DBED C=C[C@](C)(O)CC(=O)N(CCO)CCNC(=O)Cc1ncc[nH]1 1057452089 VAXWTYWDVDBXMV-HNNXBMFYSA-N 324.381 -0.784 30 20 DBED CCn1nccc1C(=O)NCCN(CCO)C(=O)C#CC1CC1 1057531100 FASWXFSLWZMUML-UHFFFAOYSA-N 318.377 -0.133 30 20 DBED C#CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)c1cncn1C 1057584905 RQJJOHCJXSMHDA-LBPRGKRZSA-N 322.365 -0.991 30 20 DBED C=CCCOCC(=O)NCCN(CCO)C(=O)c1[nH]cnc1C 1058064685 JMEHPLMYUFSONK-UHFFFAOYSA-N 324.381 -0.138 30 20 DBED CC(C)(C)C#CC(=O)NCCN(CCO)C(=O)[C@@H]1CCC(=O)N1 1058241977 IKNHBYHYEAMCHI-LBPRGKRZSA-N 323.393 -0.748 30 20 DBED N#Cc1cnccc1N1CC[C@H](NC(=O)CN2CCOCC2)C1 1058324522 MBMOLDYJAZXJMG-AWEZNQCLSA-N 315.377 -0.020 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)[C@@]1(C)CCOC1 1058555399 CMTOOVFFMNGDJS-HNNXBMFYSA-N 314.382 -0.447 30 20 DBED C=CCCCC(=O)N(CCO)CCNC(=O)[C@H](C)CC(N)=O 1058626676 UMFAGISZNKBCKL-GFCCVEGCSA-N 313.398 -0.209 30 20 DBED Cc1nc(C)c(C(=O)NCCN(CCO)C(=O)[C@H](C)C#N)[nH]1 1058659162 UMQIUHTVJXVSAA-SECBINFHSA-N 307.354 -0.263 30 20 DBED Cc1cc(=N[C@H]2CCN(C(=O)[C@H]3CCC(=O)N3)C2)c(C#N)c[nH]1 1058848341 CSKICJGUVOPZGA-QWHCGFSZSA-N 313.361 -0.025 30 20 DBED N#Cc1nc(=N[C@H]2C[C@@H](NC(=O)[C@@H]3COCCO3)C2)cc[nH]1 1059563580 GAWDJVFAJCEVJV-AXFHLTTASA-N 303.322 -0.755 30 20 DBED C=CCO[C@@H](C)C(=O)NC[C@H]1CC[C@H](NC(=O)C(N)=O)CC1 1060808636 WYCLETVUTCOLBF-SRVKXCTJSA-N 311.382 -0.146 30 20 DBED Cn1cnc(C(=O)NC[C@H]2CCCN2c2nccnc2C#N)n1 1061348184 BPGLCRWZABFWGZ-SNVBAGLBSA-N 312.337 -0.124 30 20 DBED N#CCSCC(=O)N1CCOC[C@@H]1CNC(=O)c1ccon1 1061358298 XSRDNYFLSJSYNQ-JTQLQIEISA-N 324.362 -0.111 30 20 DBED COC[C@H](OC)C(=O)N1CCOC[C@@H]1CNC(=O)C#CC1CC1 1061572277 RWQNRXQWKKASBG-KBPBESRZSA-N 324.377 -0.595 30 20 DBED Cn1cnc(C(=O)NC[C@H]2CCN(c3cnc(C#N)cn3)C2)n1 1061582807 JVHJPZUBLGNPEL-SNVBAGLBSA-N 312.337 -0.267 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)Cc1cncn1C 1061723055 QAFZVVKGYJASGZ-YPMHNXCESA-N 319.365 -0.534 30 20 DBED C=CCOCC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1[C@H]2COC[C@H]21 1061787451 VUZTXCYEPPUCMN-RMRHIDDWSA-N 324.377 -0.575 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)Cc1ccon1 1061845889 LVRLWCHZNRSFFN-ZYHUDNBSSA-N 306.322 -0.280 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)Cc1cnoc1 1061852351 YLXWOLLAICQOKY-JQWIXIFHSA-N 306.322 -0.280 30 20 DBED Cc1cc(C#N)nc(N(C)CC2CCN(C(=O)C(N)=O)CC2)n1 1062228655 HKDKWFSJCSFQPP-UHFFFAOYSA-N 316.365 -0.183 30 20 DBED N#Cc1cncc(N2C[C@@H]3C[C@H]2CN3C(=O)Cn2nccn2)n1 1062534530 KCIYGXXWHAGVRP-RYUDHWBXSA-N 310.321 -0.571 30 20 DBED Cn1cc(C(=O)N[C@@H]2[C@H]3C[C@H]2N(c2ccc(C#N)nn2)C3)nn1 1064242922 WEQLFCCEIKGGFM-RLCGTCKNSA-N 310.321 -0.516 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(C(=O)C(F)F)CCO1 1064722379 FOSWJZZTYWOBCB-SNVBAGLBSA-N 304.293 -0.365 30 20 DBED C=C(C)CCC(=O)NC[C@@H]1CN(C(=O)Cn2cnnn2)CCO1 1064841756 ZGTLUBUEYYMGQZ-GFCCVEGCSA-N 322.369 -0.627 30 20 DBED C=CCCC(=O)N1CCO[C@H](CNC(=O)[C@@H]2COCCO2)C1 1064955337 FRGUGUGGMYTSAF-OLZOCXBDSA-N 312.366 -0.288 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)C2(N(C)C)CCC2)C1 1065556930 LLQHAHCQXKHCSF-OLZOCXBDSA-N 322.409 -0.026 30 20 DBED N#Cc1nccc(N2CCOC[C@@H]2CNC(=O)c2cocn2)n1 1066470485 OVZCHTFKJFIOJS-JTQLQIEISA-N 314.305 -0.029 30 20 DBED N#Cc1ccc(N2CCOC[C@H]2CNC(=O)c2cnon2)nc1 1066496801 HTNISFXNNGELSV-LLVKDONJSA-N 314.305 -0.029 30 20 DBED Cc1nc(NC[C@H]2CN(C(=O)C(N)=O)CCO2)ccc1C#N 1066669523 WKUDMWGNLPMPEZ-NSHDSACASA-N 303.322 -0.614 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCCN(C)C(=O)[C@@H]1COCCN1C 1067233413 LKFZLITZLYSFFL-STQMWFEESA-N 310.398 -0.216 30 20 DBED N#Cc1cnccc1N1C[C@@H](O)[C@H](CNC(=O)c2ccnnc2)C1 1067693353 LLVHOCBYDGYVOQ-UKRRQHHQSA-N 324.344 -0.030 30 20 DBED CCCN(C)CC(=O)N1CCOC2(C1)CN(C(=O)[C@H](C)C#N)C2 1068420581 ROPQLNNGLOLVBF-CYBMUJFWSA-N 322.409 -0.072 30 20 DBED C=CCCC(=O)NC[C@H]1CCC2(CN(C(=O)CNC(C)=O)C2)O1 1068533526 UPRSOGCJYILFEA-CYBMUJFWSA-N 323.393 -0.035 30 20 DBED CN(C(=O)[C@@H]1COCCO1)C1CC(N=c2cc[nH]c(C#N)n2)C1 1069706848 JKEUQZFWHAGQKJ-MCIGGMRASA-N 317.349 -0.413 30 20 DBED Cc1[nH]nc(C(=O)N[C@@H]2CN(CC#N)C[C@@H]2n2ccnn2)c1C 1069903449 XSBUIBMIYINSDJ-NEPJUHHUSA-N 314.353 -0.203 30 20 DBED C[C@H]1CCN(CC(=O)N[C@@H]2CN(CC#N)C[C@@H]2n2ccnn2)C1 1070029049 RTLQJUSZSAESSU-MJBXVCDLSA-N 317.397 -0.515 30 20 DBED CNC(=O)CC(=O)NCC1(NC(=O)C#CC2CC2)CCOCC1 1070111002 PMHHCAOZBSJWPR-UHFFFAOYSA-N 321.377 -0.683 30 20 DBED Cc1cc(C(=O)N2C[C@H](n3ccnn3)[C@H](NCC#N)C2)no1 1070134036 ABOOEQBMYVLMEU-NEPJUHHUSA-N 301.310 -0.247 30 20 DBED N#CCN[C@@H]1CN(C(=O)C[C@H]2CCCOC2)C[C@@H]1n1ccnn1 1070329568 WLNXILMVFGQAEG-MCIONIFRSA-N 318.381 -0.040 30 20 DBED C=CCCN1C[C@H]2C[C@H]3CN(C(=O)Cn4cnnn4)C[C@@]3(C1)O2 1070757645 XWPGIOSGCYDMDL-GZBFAFLISA-N 318.381 -0.449 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)c2cccnc2)CC1 1070932590 XIWOUDUIRSGDOB-UHFFFAOYSA-N 300.362 -0.021 30 20 DBED C#CCN1CC[C@]2(C1)CN(C(=O)Cn1cncn1)C[C@@H](C)O2 1071238717 PSARJJOETADDIB-HIFRSBDPSA-N 303.366 -0.397 30 20 DBED C=CCOCC(=O)N1C[C@H](C)[C@H](NC(=O)c2cncnc2O)C1 1071812747 VQWTUFFAKFVFJB-CMPLNLGQSA-N 320.349 -0.039 30 20 DBED C[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1NC(=O)CSCC#N 1072543196 JFACCHIQBHCVNG-RKDXNWHRSA-N 323.382 -0.956 30 20 DBED C=CCN1CCCO[C@H](CNC(=O)c2cn(CCOC)nn2)C1 1073595062 GGZHLKGLUGCYIC-CYBMUJFWSA-N 323.397 -0.069 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(C(=O)Cn2cnnn2)C[C@@H]1C 1073818426 ZNSHYTFNFDLFDW-NWDGAFQWSA-N 322.369 -0.771 30 20 DBED N#CCN1CCO[C@@H]2CCN(C(=O)c3cc[n+]([O-])cc3)C[C@@H]21 1074158871 VXKVHNKHCQEEGS-UONOGXRCSA-N 302.334 -0.241 30 20 DBED CC#CCN1CCO[C@H]2CCN(C(=O)c3ncn(C)n3)C[C@H]21 1074226572 SJZBICGFWDYSMO-OLZOCXBDSA-N 303.366 -0.246 30 20 DBED C=C(C)CN1C[C@@H]2CCN(C(=O)CN3CCNC(=O)C3)[C@@H]2C1 1076128353 SBIRJNRYBUWZMO-UONOGXRCSA-N 306.410 -0.473 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)[C@H](C)COC 1076218870 JUNKZXFGVSJREO-NEPJUHHUSA-N 311.382 -0.581 30 20 DBED C=CCCC(=O)N[C@@H](C)CCNC(=O)CC[C@@H]1NC(=O)NC1=O 1076449026 PCGWEBOUJOTPSJ-QWRGUYRKSA-N 324.381 -0.048 30 20 DBED C=CCCN1C[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)[C@@H]2C1 1076544983 JFKIGLHTBGJRAY-NWDGAFQWSA-N 306.366 -0.353 30 20 DBED C=CCCC(=O)N[C@@H](C)CCNC(=O)[C@@H]1CCS(=O)(=O)N1 1076618038 WDRIBBDMXKJUGK-QWRGUYRKSA-N 317.411 -0.345 30 20 DBED C=CCO[C@@H](C)C(=O)NCC[C@H](C)NC(=O)c1nnn(C)n1 1077069054 GFEJKGPRQNQVNT-UWVGGRQHSA-N 310.358 -0.574 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)c2ccc(N(C)C)nn2)C1 1078020249 GRVFFJNYLBBQJP-CHWSQXEVSA-N 303.366 -0.659 30 20 DBED C[C@@H](CCNC(=O)[C@H](C)C#N)NC(=O)[C@H](C)N1CCOCC1 1078136487 NLNLSCBMOHRPMJ-AGIUHOORSA-N 310.398 -0.122 30 20 DBED C#CCN[C@@H]1C[C@@H](NC(=O)CN2CCC(=O)NC2=O)C12CCC2 1078773844 OOSQXUHQOJVALK-VXGBXAGGSA-N 318.377 -0.422 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(N(CC)C(=O)Cn2ccnc2)C1 1080034754 IJPUFWZPABJIPZ-CYBMUJFWSA-N 318.377 -0.019 30 20 DBED N#CCSCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2CCC2)C1 1081133430 MRAZMFOZQBDZDA-NWDGAFQWSA-N 311.407 -0.021 30 20 DBED C=CCCOCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cocn2)C1 1081340600 FKPLJPARGKEXCN-WCQYABFASA-N 323.349 -0.184 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(C(=O)CC2(O)CCC2)C[C@H]1O 1081470669 DJZCUPSDHBQUIU-UONOGXRCSA-N 320.389 -0.360 30 20 DBED C=CCCC(=O)N1C[C@H](CNC(=O)CC(=O)N(C)C)[C@@H](O)C1 1081496974 QXAZTZIPQJQBSB-RYUDHWBXSA-N 311.382 -0.634 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2nonc2C)C1 1081579534 BRRUPLAOGZHARD-WDEREUQCSA-N 308.338 -0.107 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2conc2C)C1 1081719706 VTFYLMKIJNVCBC-YPMHNXCESA-N 323.349 -0.265 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@H]2COCCN2CCCC)[C@H](OC)C1 1081985260 KPDZEWCKZYXCFL-BZUAXINKSA-N 323.437 -0.064 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H]1CCCCN1C(=O)c1nc[nH]n1 1082216550 WHJJAVPEZXJZMW-NEPJUHHUSA-N 319.365 -0.046 30 20 DBED C[C@H]1CC2(CCN(CC#N)CC2)CN1C(=O)Cn1ncnn1 1086921797 AYWNDQNPPSMALH-LBPRGKRZSA-N 303.370 -0.100 30 20 DBED Cn1cnn(CCC(=O)N2CCCCC[C@H](NCC#N)C2)c1=O 1088352748 IMIUICLREKXCPG-ZDUSSCGKSA-N 320.397 -0.144 30 20 DBED C=CCCN1CC[C@H](NC(=O)C2CC(=O)NC(=O)C2)[C@@H](O)C1 1090636693 BWOJYYUTDFQFJZ-RYUDHWBXSA-N 309.366 -0.833 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(c2ncc(F)cn2)C[C@@H]1O 1092154112 ROIBEBSARKXZNO-NEPJUHHUSA-N 310.329 -0.126 30 20 DBED C[C@@]12CN(CC#N)C[C@@H]1CN(C(=O)CN1C(=O)CCC1=O)C2 1092259727 MMIHJEBGWKOSFM-ABAIWWIYSA-N 304.350 -0.561 30 20 DBED C#CCNC(=O)CC(=O)N1CCN(c2ncc(Cl)cn2)CC1 1093148338 FOGHZWAFFZLWLY-UHFFFAOYSA-N 321.768 -0.082 30 20 DBED CCC(=O)N[C@@H](C)C(=O)N1CCN(c2ccc(C#N)nn2)CC1 1093200646 VIBPEFOAOPRXDN-NSHDSACASA-N 316.365 -0.088 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@@H]2CN(c3nc(C)ns3)C[C@@H]12 1093266937 SKGPDVSVPHLMIG-NXEZZACHSA-N 319.390 -0.463 30 20 DBED N#Cc1nccnc1NCCNC(=O)[C@@H]1CCCN(C(N)=O)C1 1093992770 IREONUBWOUXLFV-SNVBAGLBSA-N 317.353 -0.333 30 20 DBED N#Cc1c[nH]ccc1=NCCNC(=O)CNC(=O)c1cccnc1 1094138627 WCGVYTCBGWZZBX-UHFFFAOYSA-N 324.344 -0.272 30 20 DBED N#Cc1nccnc1NCCCNC(=O)CN1CCCC1=O 1094315319 ZTEZYIWIRBVKGX-UHFFFAOYSA-N 302.338 -0.111 30 20 DBED CCn1ccc(C(=O)NCc2cn(C3CN(CC#N)C3)nn2)n1 1094325816 SFKWHXPVRSTQAP-UHFFFAOYSA-N 314.353 -0.195 30 20 DBED N#Cc1cccnc1NCCCNC(=O)Cn1cnnc1O 1094373535 IQWOPGGBUKNHMC-UHFFFAOYSA-N 301.310 -0.131 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)c3cnn(C)c3)CC2=O)C1 1094701048 NAJVEFSODTVYCK-GFCCVEGCSA-N 303.366 -0.379 30 20 DBED N#Cc1ccc(N2CCC(NC(=O)C3(C(N)=O)CC3)CC2)nn1 1095444316 DWEQIWOQOWUFHG-UHFFFAOYSA-N 314.349 -0.301 30 20 DBED C[C@H](CNC(=O)[C@]1(C)CCC(=O)N1)Nc1cnc(C#N)cn1 1098238012 MHQKXGMWOIPRIA-OTYXRUKQSA-N 302.338 -0.066 30 20 DBED CCN1C[C@@H](C(=O)NC[C@@H](C)N=c2cc[nH]c(C#N)n2)CC1=O 1098346562 RLKGQALHPBLVCM-MNOVXSKESA-N 316.365 -0.445 30 20 DBED C#CCN(CCO)C1CCN(C(=O)[C@H]2CCCC(=O)N2C)CC1 1098550583 VKSMLXJWDHFPBG-OAHLLOKOSA-N 321.421 -0.084 30 20 DBED C#CCCCC(=O)N1CC[C@@H](n2cc(CNCCO)nn2)C1 1098669805 YEQGRCQFHUZKKX-CQSZACIVSA-N 305.382 -0.063 30 20 DBED N#CCNCc1cn([C@@H]2CCN(C(=O)c3cccnn3)C2)nn1 1098751511 OBZOJCZIZABAJM-GFCCVEGCSA-N 312.337 -0.232 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CCN(CC(=C)Cl)C[C@@H]1O 1099790044 WMHHTCJRSCTINT-RYUDHWBXSA-N 313.785 -0.570 30 20 DBED C=C(C)CCC(=O)N[C@H]1CCN(CC(=O)NC(N)=O)C[C@H]1O 1099855771 MWSOCWQKAYMEBZ-WDEREUQCSA-N 312.370 -0.911 30 20 DBED Cc1nccc(CCC(=O)N[C@H]2CCN(CC#N)C[C@H]2O)n1 1099931246 POLCVSWAPHQORK-UONOGXRCSA-N 303.366 -0.207 30 20 DBED C=C1CC(C)(C(=O)N[C@H]2CCN(CCOCCO)C[C@H]2O)C1 1099994641 UWOGWTDVTRTLHW-UONOGXRCSA-N 312.410 -0.097 30 20 DBED CO[C@@H](C)CCC(=O)NCC1CC(NCC(=O)NCC#N)C1 1100266558 NBCOFEWLMQWSNP-HIFPTAJRSA-N 310.398 -0.074 30 20 DBED CC(=O)N(C)CC(=O)NC[C@H]1CCCN1c1ccc(C#N)nn1 1100789802 OBBFYEIVLAMFEP-CYBMUJFWSA-N 316.365 -0.088 30 20 DBED C#CCNC1CC(CNC(=O)Cn2nc3n(c2=O)CCCC3)C1 1100833835 HPKNHPGQQDTFKJ-UHFFFAOYSA-N 317.393 -0.501 30 20 DBED CC#CCN1C[C@@H]2CN(C(=O)[C@@H](C)NC(=O)COC)C[C@]2(C)C1 1101247796 SQUSALGPTBNIPP-CPUCHLNUSA-N 321.421 -0.059 30 20 DBED Cc1c(C(=O)N(C)CCNc2ccc(C#N)nn2)nnn1C 1101535112 RCBKHXJKFVDGCA-UHFFFAOYSA-N 300.326 -0.031 30 20 DBED CN(CCNc1nccnc1C#N)C(=O)c1ccc(=O)n(C)n1 1101613393 XFVKPOWUPUMVST-UHFFFAOYSA-N 313.321 -0.374 30 20 DBED COCC#CCN1C[C@@H](C)[C@H](CNC(=O)c2cc(=O)n(C)o2)C1 1101909526 RLBICOHERVCLDS-CHWSQXEVSA-N 321.377 -0.074 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1CNC(=O)Cc1nc2ncccn2n1 1102578456 CVFRGVCMYLFILU-VXGBXAGGSA-N 313.365 -0.126 30 20 DBED C#CCCN1C[C@@H](C)[C@H](CCNC(=O)CN2CCOCC2=O)C1 1103091519 QIAUAXAQHUBPSV-HUUCEWRRSA-N 321.421 -0.057 30 20 DBED CC[C@@H](CNC(=O)c1cnnc(O)c1)N=c1cc[nH]c(C#N)n1 1103226781 PIOBZKNWHZUHGG-JTQLQIEISA-N 313.321 -0.114 30 20 DBED C[C@H](NC(N)=O)C(=O)N1CCC[C@@H]1CN=c1cc[nH]c(C#N)n1 1103801019 NNVTWAGEGFROET-VHSXEESVSA-N 317.353 -0.770 30 20 DBED C[C@H](CNC(=O)c1cnnn1C)CNc1cncc(C#N)n1 1103963914 RCEWQOZGVPBWKP-VIFPVBQESA-N 300.326 -0.045 30 20 DBED C[C@@H](CNc1cncc(C#N)n1)N(C)C(=O)Cn1cnnc1O 1104527458 OTQGHYHUIGJENK-VIFPVBQESA-N 316.325 -0.396 30 20 DBED C=CCNCc1cn(C2CN(C(=O)CO[C@H]3CCOC3)C2)nn1 1105238248 RROPDNMANWDWNL-AWEZNQCLSA-N 321.381 -0.258 30 20 DBED Cc1cc(C(=O)NC[C@H](O)CNc2ccc(C#N)nn2)n[nH]1 1105725319 JHXCPCZSWZLQBI-SNVBAGLBSA-N 301.310 -0.417 30 20 DBED CO[C@@H](C(=O)NC[C@H](O)CNc1nc(C)cc(C#N)n1)C1CC1 1105832673 FXVURUWLRDUYSR-QWHCGFSZSA-N 319.365 -0.029 30 20 DBED COCCOCCC(=O)NC[C@H](O)CNc1ccc(C#N)cn1 1105880822 LDTSSCXZVQKQCN-CYBMUJFWSA-N 322.365 -0.105 30 20 DBED C[C@H](CC(N)=O)C(=O)NC[C@@H](O)CNc1ncccc1C#N 1106060522 WQKCKQRYZGJWBU-KOLCDFICSA-N 305.338 -0.646 30 20 DBED C=CCn1cc(C(=O)NC[C@H](O)CNc2nccc(C)n2)nn1 1106132022 PZGOEAVYDHJLAF-NSHDSACASA-N 317.353 -0.235 30 20 DBED Cc1cc(C#N)nc(NC[C@H](O)CNC(=O)c2nc(C)c[nH]2)n1 1106135302 QTNSZWYRMYYWMH-LLVKDONJSA-N 315.337 -0.109 30 20 DBED C#CCNC[C@@H]1CN(C(=O)[C@H]2CN(C(C)=O)CCO2)C[C@H]1C 1106935369 NWVUTFSLRCINDC-BPLDGKMQSA-N 307.394 -0.449 30 20 DBED CNC(=O)NCC(=O)NC/C=C\CNc1cnc(C#N)cn1 1107570007 MYPINBCIMKDQMN-IHWYPQMZSA-N 303.326 -0.638 30 20 DBED CNC(=O)NC(C)(C)C(=O)N[C@H](C)CNc1nccnc1C#N 1107800237 JXVWVLCWCUNPJR-SECBINFHSA-N 319.369 -0.028 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)CCc2cn(C)nn2)C1 1108443867 UDGXZGDBPBVIPJ-OAHLLOKOSA-N 305.382 -0.412 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)CCN(C)CC)CC2=O)C1 1108583114 JEFQQGJJTSGDFR-CYBMUJFWSA-N 308.426 -0.085 30 20 DBED C[C@@H](CC(=O)N[C@@H](C)CN(C)c1ccnc(C#N)n1)NC(N)=O 1109098162 YRVWAXXXNDENJT-UWVGGRQHSA-N 319.369 -0.264 30 20 DBED C=CCN1CC[C@@H](N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)CC(N)=O)C1=O 1109106581 UVBLOICBEONZJC-MROQNXINSA-N 320.393 -0.630 30 20 DBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1ncccn1 1109869952 JMUJOKXAQBBOKI-WOPDTQHZSA-N 314.349 -0.549 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C[C@H](C)NC(N)=O 1110562511 RYXMEKKOERELRX-DGAVXFQQSA-N 322.409 -0.195 30 20 DBED CC(=O)N[C@@H](C)C(=O)N[C@]1(C)CCN(c2cncc(C#N)n2)C1 1110716985 MYLYLGRMPFJKBW-ZUZCIYMTSA-N 316.365 -0.042 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1nonc1C 1111504517 RXFCIAZWWRGHGK-UTUOFQBUSA-N 317.349 -0.537 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H](C)[C@@H](Nc2ncccn2)C1 1112308722 MEKHMIUMQCNBSN-RYUDHWBXSA-N 301.350 -0.125 30 20 DBED N#Cc1c(F)cccc1N1C[C@H](O)[C@H](CNC(=O)C(N)=O)C1 1112751205 MICOSPUOJMTQNT-PELKAZGASA-N 306.297 -0.904 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)c2c[nH]nc2CC)CC1 1113059156 QTENJBZITNPKLQ-LBPRGKRZSA-N 317.393 -0.132 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)c2ccnnc2C)CC1 1113071204 LDZHDFJGCQYALP-ZDUSSCGKSA-N 315.377 -0.319 30 20 DBED C=CCOCCCC(=O)NC1[C@H]2CN(CC(=O)NCC#N)C[C@H]12 1114107813 GEFZOTKTJHEMBC-STQMWFEESA-N 320.393 -0.345 30 20 DBED C=CCOCCCC(=O)NC1[C@@H]2CN([C@H]3CCNC3=O)C[C@@H]12 1114112400 YVFMKWWXRZKXOV-UPJWGTAASA-N 307.394 -0.096 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H]1[C@@H]2CN(Cc3n[nH]c(C)n3)C[C@@H]21 1114270617 IRDQDOVACNZPTG-PQFRYHKHSA-N 303.366 -0.302 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCCCC)C[C@@H]21 1114271699 ZRYCYRCXUICJBH-TTZDDIAXSA-N 321.421 -0.013 30 20 DBED N#Cc1nccnc1N1C[C@H]2C(CNC(=O)Cn3nccn3)[C@@H]2C1 1114580493 NWRBSXGDDTUMPC-RYUDHWBXSA-N 324.348 -0.562 30 20 DBED C[C@@H](CN(C)C(=O)C[C@@H]1COC(=O)C1)N=c1cc[nH]c(C#N)n1 1115710782 BOSYRQBTTVYZES-QWRGUYRKSA-N 317.349 -0.018 30 20 DBED C#CCN1CCC(C(=O)N2CCC(O)(C(=O)OC)CC2)CC1 1116448757 BORHCBOIRMXXNV-UHFFFAOYSA-N 308.378 -0.142 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CCN(CCOCC)CC1 1117543407 GIWSOQDPQNTYIQ-CYBMUJFWSA-N 313.398 -0.516 30 20 DBED CC#CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(=O)n(CC)c1 1118204327 JCFLPONLKWYXFY-LBPRGKRZSA-N 305.334 -0.303 30 20 DBED N#Cc1cc(C(=O)NCCOCCS(N)(=O)=O)cs1 1118770291 NDWJEZQRKOLLMZ-UHFFFAOYSA-N 303.365 -0.345 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N1CCO[C@H](COCC)C1 1119155561 HXZPGTDZJBSLSW-RYUDHWBXSA-N 300.355 -0.433 30 20 DBED Cc1nsc(N[C@@H](CO)CNC(=O)c2ncn(C)n2)c1C#N 1121433052 SVICQNCIBYTZHV-MRVPVSSYSA-N 321.366 -0.346 30 20 DBED CC(=O)NCC(=O)N(C)C[C@H](O)CNc1ncc(C#N)cc1F 1124087023 WPKMSIQWDDMARL-LLVKDONJSA-N 323.328 -0.540 30 20 DBED CN(C[C@@H](O)CNc1ccc(C#N)nc1)C(=O)c1cnn(C)n1 1124414570 LMGDVQPTAFQMHC-LBPRGKRZSA-N 315.337 -0.373 30 20 DBED CN(C[C@H](O)CNc1cnc(C#N)cn1)C(=O)[C@@]12COC[C@@H]1C2 1124822916 STSBAQCUBBKDRK-NVBFEUDRSA-N 317.349 -0.384 30 20 DBED N#Cc1ccc(C(=O)NCCNC[C@@H]2CCS(=O)(=O)C2)[nH]1 1125784140 WZDDOQDKEXMCGB-JTQLQIEISA-N 310.379 -0.360 30 20 DBED CNC(=O)CN1CCn2ncc(CNC(=O)C#CC3CC3)c2C1 1128347488 VEWUTMPCIMYVOO-UHFFFAOYSA-N 315.377 -0.526 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](NCCCO)[C@H](c2cn(C)cn2)C1 1130546623 LCIUDZBSYAGFCH-MBNYWOFBSA-N 305.382 -0.154 30 20 DBED C=CCOCCNCCNC(=O)[C@@]12C[C@H]3C[C@H](C(=O)N1)[C@H]2C3 1130584772 MDUCLVRNKFVSFQ-JFILPPLUSA-N 307.394 -0.191 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)Cc1ccn(C(C)C)n1 1131573784 GSNISJSCQXFZLS-CYBMUJFWSA-N 319.409 -0.150 30 20 DBED C[C@@H]1CN(C(=O)CNC(=O)C2CC2)C[C@@]2(CCN(CC#N)C2)O1 1131631050 BBTPCVNZBNOJLK-WBMJQRKESA-N 320.393 -0.272 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)CN(C)C(C)=O)CC[C@H]1C 1131829523 HMPSPUAYZUNDEH-OCCSQVGLSA-N 324.425 -0.264 30 20 DBED CC#CCN1C[C@@H](NC(=O)CNS(=O)(=O)NC)CC[C@H]1C 1132199726 MEMGOIFWGXXFRZ-NEPJUHHUSA-N 316.427 -0.967 30 20 DBED Cc1nn(C)cc1C(=O)N[C@H](C)C[C@@H](C)NCC(=O)NCC#N 1133937344 XNJQUMCUPXPNIF-GHMZBOCLSA-N 320.397 -0.145 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)C[C@H](C)NCC(=O)NCC=C 1134130409 HHPHBUKURWMBAV-STQMWFEESA-N 322.409 -0.699 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)C[C@H](C)NCc1cncn1C 1134130917 OFEICPRTBVLAHY-STQMWFEESA-N 319.409 -0.068 30 20 DBED CC#CCN[C@H](C)C[C@@H](C)NC(=O)CCS(=O)(=O)NC 1134351122 CCPLHXHZHDQAFK-VXGBXAGGSA-N 303.428 -0.178 30 20 DBED CCCn1ncc(C(=O)NCCNCC(=O)NCC#N)c1C 1135710207 YAAZBQLPPVYKRP-UHFFFAOYSA-N 306.370 -0.439 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)CCCCC(N)=O 1135889963 CFVRZVZYPIQQTE-CHWSQXEVSA-N 324.425 -0.346 30 20 DBED C#CCNC(=O)CNCCNC(=O)CN1CCc2ccccc21 1151418839 SJKMJJLHYFEQNQ-UHFFFAOYSA-N 314.389 -0.496 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@H](CCCC)NC(N)=O 1153331435 RDAOITFMIHJCEC-NSHDSACASA-N 313.402 -0.779 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)CCc2nc[nH]n2)C1=O 1156336818 TWTGNUXEPVEYEZ-LBPRGKRZSA-N 320.397 -0.380 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)c2ncn(C)n2)C1=O 1157485580 BQYBESQGYXKACE-NSHDSACASA-N 306.370 -0.689 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NCCCN[C@H]1CCC(=O)NC1=O 1158313462 IBQBQWFGTXGYTK-AGIUHOORSA-N 323.393 -0.131 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCCN[C@H]1CCCNC1=O 1160197783 GMBZWVZYSALGKW-KBPBESRZSA-N 306.410 -0.542 30 20 DBED N#CCNC(=O)CNCCCNC(=O)[C@@H]1Cc2ccccc2O1 1162058339 AIKAIMOMDJEBQB-AWEZNQCLSA-N 316.361 -0.274 30 20 DBED C#CCCNCC1(CCNC(=O)CNC(=O)CNC(C)=O)CC1 1165795760 FHCYAIGELHLIEQ-UHFFFAOYSA-N 322.409 -0.862 30 20 DBED C[C@H](CCCCNCC(=O)NCC#N)NC(=O)Cc1ncc[nH]1 1175881804 WSELHWAQDHWFQI-GFCCVEGCSA-N 320.397 -0.143 30 20 DBED C#CCNC(=O)CNCCCC[C@@H](C)NC(=O)CCCC(N)=O 1176825121 XERFHJPQDMZOES-CYBMUJFWSA-N 324.425 -0.344 30 20 DBED CNC(=O)CC(=O)N1CC[C@@H]2OCCN(CC#CCOC)[C@H]2C1 1176995280 UKIXKFFHEZAGHW-KBPBESRZSA-N 323.393 -0.926 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2cnnc(C)c2)C1 1182188218 OLYLIXFPUWNARK-TZMCWYRMSA-N 315.377 -0.273 30 20 DBED CC(C)n1nccc1C(=O)N1CC[C@@H](NCC(=O)NCC#N)C1 1182860474 QECXFNNMNFYYCS-GFCCVEGCSA-N 318.381 -0.092 30 20 DBED C=CCNC(=O)[C@@H](C)N(C)[C@H]1CCN(C(=O)CC(=O)NC)C1 1189859130 XITPMDQZUMZLQQ-NEPJUHHUSA-N 310.398 -0.654 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)C2CCCC2)C1 1190616883 FCVAAGULMIGUJP-IACUBPJLSA-N 307.394 -0.524 30 20 DBED C=CCC[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)CCS(C)(=O)=O)C1 1194184551 IJFDAOFHEJVZAH-JHJVBQTASA-N 318.439 -0.063 30 20 DBED C#CCNC(=O)[C@H](C)N1CCCN(C(=O)C[C@@](C)(O)C=C)CC1 1195681562 FZZWPZZBHZZJRV-YOEHRIQHSA-N 321.421 -0.014 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)c2nccs2)C1 1197125233 ZQBWUAJMIDLQNG-HBNTYKKESA-N 324.406 -0.391 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)CS(=O)(=O)C(C)C)C1 1198754581 SCLCMHVCBRESHO-GHMZBOCLSA-N 324.830 -0.277 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCC(NCc2nnn(C)n2)CC1 1200325366 VFXYDKCQOGAPGX-AWEZNQCLSA-N 308.386 -0.382 30 20 DBED CC[C@@H](NC(C)=O)C(=O)N1CCC(NCC(=O)NCC#N)CC1 1202613692 RFKOKQGYPUHEBZ-CYBMUJFWSA-N 323.397 -0.879 30 20 DBED C[C@H]1OCC[C@H]1C(=O)N1CCC(CNCC(=O)NCC#N)CC1 1206688115 JOBRPWAHKJUYRE-TZMCWYRMSA-N 322.409 -0.121 30 20 DBED N#CCNC(=O)CN[C@H]1CCCN(C(=O)c2cc[n+]([O-])cc2)C1 1207149972 ASUJUXGSUYUZCF-ZDUSSCGKSA-N 317.349 -0.846 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@H]2CCNC(=O)C2)C1 1207789839 OVDVDZQMDXLNJR-QWHCGFSZSA-N 322.409 -0.605 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)c2c[nH]c(=O)cn2)C1 1209277124 GHGRSBKFDFFADJ-NSHDSACASA-N 319.365 -0.734 30 20 DBED C[C@@H]1CN(C(=O)Cc2cc[nH]n2)C[C@H]1NCC(=O)NCC#N 1214378252 XKGURRKMOYVLQR-ZYHUDNBSSA-N 304.354 -0.972 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H](C)OCCOCC 1219049829 XZVMYJXOMZWRDO-QLFBSQMISA-N 310.394 -0.027 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)c2ccsc2)C1 1219155752 PGMVJKKWRFXNNX-RTXFEEFZSA-N 321.402 -0.339 30 20 DBED CCc1nnc(CN2C[C@H](O)[C@H](NC(=O)C#CC3CC3)C2)n1C 1219589968 QGOITHLFEQDMAU-OLZOCXBDSA-N 317.393 -0.548 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3cc[nH]n3)[C@@H]2C1 1221285871 AXOPZUQFSSXVLZ-DGCLKSJQSA-N 301.350 -0.695 30 20 DBED COCC#CCN1CC[C@@H]2CN(C(=O)c3ncn(C)n3)[C@@H]2C1 1221522640 HMYQKZKKPJKKMC-CHWSQXEVSA-N 303.366 -0.389 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCC[C@@H](NCc2nc(=O)n(C)[nH]2)C1 1222067994 OKVDIWLMGXEWDN-NWDGAFQWSA-N 323.397 -0.220 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)C2=COCCO2)CC1 1225890214 OQDXNTNUHFGKIZ-UHFFFAOYSA-N 307.350 -0.795 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)[C@@]2(F)CCOC2)CC1 1228826777 MHNIAETVPMKSLU-OAHLLOKOSA-N 313.373 -0.002 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1CCCC[C@H]1NCC(N)=O 1228956501 QANVHWBOTYUDPN-MCIONIFRSA-N 324.425 -0.040 30 20 DBED N#CC1(NC(=O)COC(=O)[C@H]2CCCS2(=O)=O)CCC1 1261559504 NVHGTLLRNCRGLS-SECBINFHSA-N 300.336 -0.331 30 20 DBED C[S@](=O)CCNC(=O)C(=O)N1CCc2ccc(C#N)cc21 1319509979 DHIAAMKVQIOSFA-NRFANRHFSA-N 305.359 -0.058 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@H](CC)COC 1321450476 NQBMMABRJCIZIR-SNVBAGLBSA-N 306.384 -0.755 30 20 DBED C=CCNC(=O)C(=O)Nc1cccc(C(=O)N(C)CC(N)=O)c1 1321696492 KWXFTPUHSDSGNN-UHFFFAOYSA-N 318.333 -0.515 30 20 DBED CNC(=O)Cn1cc(NC(=O)C(=O)N2CC[C@@](F)(C#N)C2)cn1 1321711963 HTPDRCOKYWCFEO-CYBMUJFWSA-N 322.300 -0.968 30 20 DBED C#CCSCCNC(=O)C(=O)N[C@H]1CCC[C@@H]1C(=O)NC 1323044502 CQWJJLMHAOTGIU-QWRGUYRKSA-N 311.407 -0.500 30 20 DBED C#Cc1cccc(NC(=O)C(=O)NCCCCS(N)(=O)=O)c1 1324257537 RKTZJBVCAXMSMZ-UHFFFAOYSA-N 323.374 -0.209 30 20 DBED CCc1cc(CNC(=O)C(=O)N2CC[C@](O)(CC#N)C2)n[nH]1 1326128856 SREJCIQTGVSORP-CQSZACIVSA-N 305.338 -0.535 30 20 DBED C=CCn1cc(CNC(=O)C(=O)NC[C@]2(OC)CCOC2)nn1 1326252918 MKUUNZOOHIOLEI-CQSZACIVSA-N 323.353 -0.998 30 20 DBED N#CC1(NC(=O)CN2CCC[C@@H](CS(N)(=O)=O)C2)CCC1 1326538971 DRTSHCJXZUTTMP-LLVKDONJSA-N 314.411 -0.451 30 20 DBED COC[C@@H](O)CNC[C@H]1CN(C(=O)C#CC(C)(C)C)CCO1 1326977060 FKHQNWDTMSEBKI-KBPBESRZSA-N 312.410 -0.140 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCC([C@H]2CCCNC2)CC1 1328355023 YERTZYSGECPZBK-HNNXBMFYSA-N 321.421 -0.009 30 20 DBED CCOCCn1cc(C(=O)NCCn2cnc(C#N)n2)cn1 1329572558 CTSYNKYGYBOORC-UHFFFAOYSA-N 303.326 -0.187 30 20 DBED N#CCCN1CCN(CN2CC3(CCOCC3)[C@@H](O)C2=O)CC1 1329673602 HIZNCUJSSNTRJD-AWEZNQCLSA-N 322.409 -0.525 30 20 DBED C=CCN(C(=O)C(=O)N(C)C[C@H]1COCCO1)[C@@H](C)COC 1330464375 YYCMKNIGFWDGBP-STQMWFEESA-N 314.382 -0.090 30 20 DBED Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)NC1(C#N)CCC1 1330785417 CYSBSVUKPJDOTK-UHFFFAOYSA-N 310.335 -0.582 30 20 DBED C=C[C@H](CO)NC(=O)[C@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F 1332469569 KGOHNBZZYJNDAK-CSMHCCOUSA-N 301.286 -0.127 30 20 DBED CCOCCOCCNC(=O)C(=O)N1CC[C@](F)(C#N)C1 1333305976 LAINNHXVLDYYNP-ZDUSSCGKSA-N 301.318 -0.380 30 20 DBED C=C[C@H](CO)NC(=O)C(=O)Nc1ccn(C2CCN(C)CC2)n1 1333505173 WZQSUIKGSNRHBE-LLVKDONJSA-N 321.381 -0.249 30 20 DBED CC(C)C[C@H]1CN(C)CCN1C(=O)C(=O)N1CCO[C@H](C#N)C1 1335137215 NYIAMNKJNCYJAQ-UONOGXRCSA-N 322.409 -0.074 30 20 DBED CN1CC[C@@](O)(CNCCS(=O)(=O)c2ccc(C#N)cc2)C1 1335457222 JQDSIICIWJJZLN-OAHLLOKOSA-N 323.418 -0.012 30 20 DBED C=CCn1c([C@H](O)COC)nnc1N1CC[C@@H](NC(C)=O)C1 1340658102 GWXRZLLMQXPNRO-VXGBXAGGSA-N 309.370 -0.141 30 20 DBED CC(=O)N(C)c1ccc(S(=O)(=O)NCC(=O)NCC#N)cc1 1345401211 UHDUSNDRBKBILD-UHFFFAOYSA-N 324.362 -0.413 30 20 DBED N#CCOc1ccc(NC(=O)C(=O)NC[C@@H]2COCCN2)cc1 1351534230 QTOPDYHRGRMSJW-GFCCVEGCSA-N 318.333 -0.368 30 20 DBED COc1ncccc1CNC(=O)Cn1cc(C#N)c(O)nc1=O 1361794395 QOXUDFCIEPOZCP-UHFFFAOYSA-N 315.289 -0.459 30 20 DBED COCC[C@H](C)NC(=O)NCCn1cc(C#N)c(O)nc1=O 1364524917 RVUKZHDWQIMELK-VIFPVBQESA-N 309.326 -0.455 30 20 DBED CCN(CCC#N)S(=O)(=O)NCCS(=O)(=O)C1CC1 1365418096 LLAKEKSMJYFHLY-UHFFFAOYSA-N 309.413 -0.366 30 20 DBED C=C(Cl)CN1CCN(CCNC(=O)Cn2cnnn2)CC1 1376063561 BFSWUAYRYZMAJR-UHFFFAOYSA-N 313.793 -0.841 30 20 DBED CC(C)c1nnnn1CC(=O)NC[C@@H]1CCN1C(=O)[C@H](C)C#N 1378381955 ZQZNLRSWPPECFG-MNOVXSKESA-N 319.369 -0.327 30 20 DBED C[C@H](C#N)C(=O)N1CCC2(C1)CN(C(=O)[C@H](C)CC(N)=O)C2 1383616745 XRMUNTHKKVPGGJ-GHMZBOCLSA-N 306.366 -0.282 30 20 DBED CCOc1cc(C(=O)NC[C@@H](O)CNC(=O)[C@H](C)C#N)on1 1389114346 NAYPJESYQRVEIS-BDAKNGLRSA-N 310.310 -0.560 30 20 DBED C=C(Cl)CNC[C@H](O)CN(C)C(=O)c1cnn(C)c1N 1394731333 CLAPZQIDLMVZBX-VIFPVBQESA-N 301.778 -0.223 30 20 DBED C[C@@H](CNC(=O)c1cn(C)nn1)NC(=O)c1c[nH]c(C#N)c1 1397429978 MNIXNJMOJDDBKI-QMMMGPOBSA-N 301.310 -0.437 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](C)CNCc1cc(=O)n(C)c(=O)n1C 1401109488 ZEFJXGSKRSLJEL-MNOVXSKESA-N 321.381 -0.914 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1c(C2CC2)cnn1C 1410158621 XHCNDWYYHRPGFC-ONGXEEELSA-N 319.365 -0.336 30 20 DBED CN(C[C@H](O)CNCC(=O)NC1CC1)C(=O)c1cc(C#N)c[nH]1 1410997451 XALIUWRFTJECMU-GFCCVEGCSA-N 319.365 -0.813 30 20 DBED Cc1cc(C(=O)N(C)[C@H](C)C#N)nc2c1c(=O)n(C)c(=O)n2C 1411406582 VIXJARDHJHBMBQ-SECBINFHSA-N 315.333 -0.075 30 20 DBED C[C@@H](CNCc1nnnn1C)CNC(=O)c1cc(C#N)c[nH]1 1421674326 ODDPMBQNOOGRJM-VIFPVBQESA-N 302.342 -0.434 30 20 DBED C[C@@H](CNC[C@H](O)Cn1cccn1)NC(=O)c1cc(C#N)c[nH]1 1422631680 CPELHRKXELHBPI-AAEUAGOBSA-N 316.365 -0.148 30 20 DBED C[C@H](CNC(=O)c1c[nH]c(C#N)c1)NC(=O)CCn1cncn1 1428581473 LQWABUGXMVTCTL-SNVBAGLBSA-N 315.337 -0.197 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)CCc1cncs1 1433338038 PJZRSGNONGPCJN-ZJUUUORDSA-N 310.379 -0.171 30 20 DBED COCCS(=O)(=O)CC(=O)Nc1cnc(OC)c(C#N)c1 1433559758 CNABCDSOANLTEH-UHFFFAOYSA-N 313.335 -0.038 30 20 DBED CCN1C[C@H](C(=O)NCC2(NC(=O)[C@H](C)C#N)CC2)CC1=O 1433914277 XMIJPRTTXIKIGL-GHMZBOCLSA-N 306.366 -0.221 30 20 DBED CO[C@H](C)C(=O)NCc1nc(O)cc(CNC(=O)[C@H](C)C#N)n1 1446056399 QLPKTLBDLBRTGR-RKDXNWHRSA-N 321.337 -0.391 30 20 DBED C[C@@H]1OCCN(C(=O)CCn2cc(C#N)c(O)nc2=O)[C@@H]1C 1446519176 UMBMERPGAZLPON-ZJUUUORDSA-N 306.322 -0.154 30 20 DBED C[C@H](NC(=O)CCS(C)(=O)=O)C1CN(C(=O)[C@H](C)C#N)C1 1450342233 BNSPZJZVENIKPK-ZJUUUORDSA-N 315.395 -0.456 30 20 DBED C#CCNC(=O)CNC[C@H]1CCCN1C(=O)CCn1cccn1 1482053261 RSTLSGPAQPQWPA-CQSZACIVSA-N 317.393 -0.397 30 20 DBED C#CC1(O)CN(C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 1588333348 MVZRRAQFHRAKFZ-LBPRGKRZSA-N 315.333 -0.714 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1588609193 KZUOVKTVBRZHPS-NEPJUHHUSA-N 317.353 -0.454 30 20 DBED O=C(N[C@@H]1CCN(O)C1=O)c1ccc(-c2nn[nH]n2)c(O)c1 1592989183 ZUPGMBANFBXNJY-MRVPVSSYSA-N 304.266 -0.708 30 20 DBED C[C@@H](CNc1cncc(-c2nn[nH]n2)n1)NC(=O)C#CC1CC1 1605399837 IJTXTIPMKQAVSE-VIFPVBQESA-N 312.337 -0.013 30 20 DBED Cn1cc(C#N)c(=O)n(Cc2noc(CCCC(=O)O)n2)c1=O 1610599932 ZBQYTWMWFXIAJR-UHFFFAOYSA-N 319.277 -0.743 30 20 DBED C=C(Cl)CN1CC[C@H](NC(=O)CC[C@H]2NC(=O)NC2=O)C1 1752409941 XJBQSSQDGUDPDU-VHSXEESVSA-N 314.773 -0.082 30 20 DBED COCC#CCNC[C@@H]1CCN(C(=O)c2nnn(C)c2C)C1 1752934496 HJDRGJYYLBGBBK-ZDUSSCGKSA-N 305.382 -0.175 30 20 DBED N#CCN1CCC[C@@H]1CCCNC(=O)C[C@@H]1NC(=O)NC1=O 1753029906 LUIPZNWIARHVSU-QWRGUYRKSA-N 307.354 -0.531 30 20 DBED C=CCC(C)(C)C(=O)NC[C@@H](O)CN[C@@H](C)c1nnnn1C 1753928437 FPJRQBKYWUECAD-QWRGUYRKSA-N 310.402 -0.060 30 20 DBED COc1ccnc(C(=O)N[C@H](C)CNCC(=O)NCC#N)c1 1754237421 GDGZPFALVOIWRZ-SNVBAGLBSA-N 305.338 -0.562 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN([C@H](C)c2nnnn2C)C1 1754771915 QRGSRNGBPFDUNO-SNVBAGLBSA-N 308.386 -0.354 30 20 DBED C#CCN1CCC[C@@](CO)(NC(=O)[C@@H](C)CN2CCOCC2)C1 1754860318 DHNREIKRMCLQJW-DOTOQJQBSA-N 323.437 -0.469 30 20 DBED C#CCNC[C@H]1CN(C(=O)Cc2nnn(C(C)(C)C)n2)CCO1 1754999492 ARHBXIPULKZHAI-LBPRGKRZSA-N 320.397 -0.579 30 20 DBED C=C(C)CNC[C@H]1CN(C(=O)C[C@H]2CC(=O)NC2=O)CCO1 1755017362 MFQKUQFJBHDJHK-NEPJUHHUSA-N 309.366 -0.568 30 20 DBED C=CCN[C@@]1(CO)CCCN(C(=O)c2ccc(C(N)=O)[nH]2)C1 1755089279 LVQHYYVMPYQDBE-HNNXBMFYSA-N 306.366 -0.144 30 20 DBED C[C@@H]1C[C@@H](NC(=O)C2=COCCO2)CCN1CC(=O)NCC#N 1755157365 HNEQQUPTAHPEPO-NEPJUHHUSA-N 322.365 -0.517 30 20 DBED C[C@H](C(=O)NC(N)=O)N(C)C[C@H]1CCCN1C(=O)C#CC1CC1 1755193215 UMIASEOZUQNPHZ-DGCLKSJQSA-N 320.393 -0.094 30 20 DBED CN(C)CC1(C(=O)NC2CC(CNCC(=O)NCC#N)C2)CC1 1755216881 QMWYUDNSQGWOJT-UHFFFAOYSA-N 321.425 -0.548 30 20 DBED C#CCCN1CC(CCO)(NC(=O)c2cc(C(N)=O)ccn2)C1 1755343141 FSZOQVNQXDYPKC-UHFFFAOYSA-N 316.361 -0.630 30 20 DBED C#CCCN1C[C@@H](NC(=O)CCCS(N)(=O)=O)C(C)(C)C1 1755413816 KABAWCPMKSDYAL-GFCCVEGCSA-N 315.439 -0.095 30 20 DBED C=CCCN1C[C@@H]2C(CNC(=O)C[C@H]3CC(=O)NC3=O)[C@H]2C1 1755439271 NCAPRMJBRGMARX-CYZMBNFOSA-N 305.378 -0.091 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H](C)CN(C)C(=O)c1cc(C)ncn1 1755581757 NNZCZHHGPQCYKD-QWHCGFSZSA-N 317.393 -0.027 30 20 DBED C=C(C)CN[C@@H]1C[C@H](C)N(C(=O)CNS(=O)(=O)NC)C1 1755683815 CKMAOVMQNZJUNF-WDEREUQCSA-N 304.416 -0.805 30 20 DBED C#CCNC(=O)CNC[C@H]1CC[C@@H](NC(=O)Cc2cnc[nH]2)C1 1755741381 IFRZMQLPRLMNJE-QWHCGFSZSA-N 317.393 -0.424 30 20 DBED C=C(C)CNC[C@@H](O)CN(C)C(=O)[C@H](C)N1C(=O)CCC1=O 1755780770 MDJOUTHZHDTMMY-NWDGAFQWSA-N 311.382 -0.491 30 20 DBED C#CCOCCC(=O)N(C)C[C@H](C)NC(=O)c1cncnc1O 1756454037 ZGBGXFTUWRXRPJ-NSHDSACASA-N 320.349 -0.201 30 20 DBED C=CCCC(=O)N[C@@H]1CCN(C(=O)C(=O)NCC2CC2)C[C@H]1O 1757563277 UGTCSCXRMNOABG-CHWSQXEVSA-N 323.393 -0.443 30 20 DBED C=CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncn(C)n1 1794593997 UWXDTWOELGRDCJ-PTEHBNRSSA-N 319.365 -0.406 30 20 DBED Cn1cc(C#N)c(=O)n(CC(=O)NCc2cccs2)c1=O 11263042 FGMMKBKKMVOQGE-UHFFFAOYSA-N 304.331 -0.203 30 20 DBED CCCN(CC#N)CC(=O)N1CCN(CC(=O)N(C)C)CC1 58910848 VPKCXVNFIWEVCH-UHFFFAOYSA-N 309.414 -0.546 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)CN2CCOCC2)CC1 73298980 VJCNREAUZNMDMY-AWEZNQCLSA-N 324.425 -0.847 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)OCc2cnc(C)cn2)C1=O 263689597 KZTACIYYBUCGFY-UHFFFAOYSA-N 318.289 -0.195 30 20 DBED C[C@@H](C(=O)N[C@H](C)CC#N)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 266834566 LBFWVNKCYBJIRJ-MCNAKINOSA-N 305.334 -0.044 30 20 DBED N#C[C@H]1CN(C(=O)[C@H]2Nc3ccccc3S(=O)(=O)N2)CCO1 267366628 IAPLZBAUXQTHCD-CABZTGNLSA-N 322.346 -0.533 30 20 DBED Cc1cc(C#N)ccc1S(=O)(=O)NCCC(=O)NC(N)=O 268150929 KSXMLQWDTDPCHM-UHFFFAOYSA-N 310.335 -0.270 30 20 DBED CC(C)NS(=O)(=O)NCCNC(=O)C#Cc1ccccc1 277590000 PCQXAOVOTPQQCS-UHFFFAOYSA-N 309.391 -0.013 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NOCCSC)C1=O 279996904 MCQJGEIPPJGOBN-UHFFFAOYSA-N 301.324 -0.626 30 20 DBED COC(=O)[C@@H]1CN(C(=O)NCCn2cnc(C#N)n2)C[C@H]1C 287086623 WVODEAOMLUVAAC-NXEZZACHSA-N 306.326 -0.400 30 20 DBED C=CCCOCCNC(=O)C(=O)N1CCn2cnnc2[C@@H]1C 289392541 LZJQWUQAJMGHHK-NSHDSACASA-N 307.354 -0.110 30 20 DBED C#CCNC(=O)CCN1CCN(c2ncccc2C(N)=O)CC1 292758746 IRTKIKWLRFNGNZ-UHFFFAOYSA-N 315.377 -0.558 30 20 DBED CCN1CCN(C/C(O)=N/C[C@@]2(O)CCSC2)C(=O)C1=O 329991942 KCLNQIWVSIMPKW-ZDUSSCGKSA-N 315.395 -0.498 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N1CC(OCC(=O)N(C)C)C1 332055495 OMXAGRHPXUUJIA-SNVBAGLBSA-N 318.399 -0.888 30 20 DBED CN1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)C(C)(C)C1=O 336956532 ZPOHLHCREQYPRY-JTQLQIEISA-N 316.383 -0.992 30 20 DBED CNC(=O)[C@@]1(C)CCN(S(=O)(=O)N(C)C[C@@H](C)C#N)C1 337129696 BJVKZNYSULENGW-JQWIXIFHSA-N 302.400 -0.219 30 20 DBED N#CCCn1ccc(NC(=O)C(=O)N[C@@H](CO)CC2CCC2)n1 340612151 JDTATKZYNUONAO-GFCCVEGCSA-N 319.365 0.403 30 20 DBED COCCOc1ncccc1C(=O)NCCn1cnc(C#N)n1 342883318 NAAOQNQRRHUUPG-UHFFFAOYSA-N 316.321 0.000 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CN(S(C)(=O)=O)C1 346644607 UWIDNBSHLLBWCC-RYUDHWBXSA-N 302.396 -0.025 30 20 DBED COCC[C@H](NS(=O)(=O)N(C)C[C@@H](C)C#N)C(=O)OC 352560520 PSXPRRZPEQRJKE-UWVGGRQHSA-N 307.372 -0.510 30 20 DBED C[C@@H]1CN(CCCNC(=O)NCC(=O)NCC#N)CCCO1 358306499 FLNILNMGRITCAX-GFCCVEGCSA-N 311.386 -0.574 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N1CCSC[C@@H]1C(N)=O 407972220 FMCBRNXLKRJCGQ-RKDXNWHRSA-N 306.413 -0.632 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@@]23CCC[C@@H]2CNC3)CC1 435890507 USIIJKHZWIRCKA-RHSMWYFYSA-N 320.437 -0.178 30 20 DBED C[C@H]1C(=O)NCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N 443076760 XGQCJRBSJKXGFP-QMMMGPOBSA-N 324.318 -0.025 30 20 DBED C=C(C)CN(CC)C(=O)C(=O)N1CCN(CC(=O)NCC)CC1 459817643 BBZPURGPTMVXGM-UHFFFAOYSA-N 324.425 -0.309 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@@H](NC(C)=O)C(C)C)CC1 491166973 VOJCPYOCVZELSC-HNNXBMFYSA-N 322.409 -0.959 30 20 DBED CN(CCN1CCOCC1)C(=O)NCCn1cnc(C#N)n1 516205040 GOQZPLQSMSBIET-UHFFFAOYSA-N 307.358 -0.877 30 20 DBED N#CC1(NC(=O)CN2CCN(C(=O)[C@H]3CCCO3)CC2)CCC1 525886175 VQVTWDQGEVLRMK-CYBMUJFWSA-N 320.393 -0.128 30 20 DBED CC[C@@H](NS(=O)(=O)CC1(C#N)CC1)C(=O)N1CCOCC1 545210401 JFVBCELSCLUOSP-LLVKDONJSA-N 315.395 -0.153 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@H](OC(C)C)C2)C1=O 571089545 YGWOLIOATCFXBV-LLVKDONJSA-N 323.349 -0.011 30 20 DBED N#CCNC(=O)CNC(=O)C1(S(=O)(=O)c2ccccc2)CC1 588077233 GKGPSKMPWFJQFC-UHFFFAOYSA-N 321.358 -0.251 30 20 DBED C=CCCOCC(=O)NCCC(=O)N1CCN(C(C)=O)CC1 593854783 DSPAPIJRHBNYQS-UHFFFAOYSA-N 311.382 -0.224 30 20 DBED N#Cc1ccnc(N2CCN(C(=O)CN3CCNCC3)CC2)c1 602421902 PSKMTZREPRQCFN-UHFFFAOYSA-N 314.393 -0.493 30 20 DBED C=C[C@H](C(=O)OC)N(CC)CC(=O)N[C@@H]1CCS(=O)(=O)C1 619716685 VYXZBJZYWFNJLG-GHMZBOCLSA-N 318.395 -0.661 30 20 DBED C#C[C@H](NCC(=O)c1c(O)nc(=O)n(CC)c1N)[C@@H]1CCCO1 775791809 XEJKYHCJXBJFDD-ONGXEEELSA-N 320.349 -0.496 30 20 DBED C#CCOCCC(=O)NS(=O)(=O)c1c(C)nn(C)c1OC 778843954 KYQHDKCJSTVADN-UHFFFAOYSA-N 315.351 -0.418 30 20 DBED COc1ccc(C=O)c(OCC(=O)NCC(=O)NCC#N)c1 804821251 ZZEQLCXDVJRGAJ-UHFFFAOYSA-N 305.290 -0.358 30 20 DBED C#C[C@@H](NC(=O)C(=O)NCC(C)(C)C(=O)NCC)[C@@H]1CCCO1 808793584 LWLNGCSYEAXGPE-NEPJUHHUSA-N 323.393 -0.438 30 20 DBED Cc1csc(=O)n1CCC(=O)NS(=O)(=O)CCC#N 821584344 ZEZIOUADHCDFRV-UHFFFAOYSA-N 303.365 -0.032 30 20 DBED CN1C(=O)CC[C@@H](NC(=O)NCc2ccc(C#N)cn2)C1=O 823623727 LYDOKWWIXAMRFN-LLVKDONJSA-N 301.306 -0.100 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@H](C)CC(=O)O)CC1 825618350 ASKUFANZFGNNLJ-GFCCVEGCSA-N 309.366 -0.619 30 20 DBED O=C(C#CC1CC1)N1CCN(C(=O)C(=O)N2CCCC2)CC1 837349005 JKOCHQGJWIOJGL-UHFFFAOYSA-N 303.362 -0.307 30 20 DBED C#CC[C@H](NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)C(=O)OC 837941086 CPOKBSBMFAYWQI-NEPJUHHUSA-N 309.366 -0.922 30 20 DBED CC(C)[C@@](C)(C#N)NC(=O)COC(=O)C1(S(N)(=O)=O)CC1 845203006 CRAIQWLGZHOFMX-LLVKDONJSA-N 317.367 -0.595 30 20 DBED C#CC[C@H](CO)NC(=O)c1c(C)oc(C)c1S(N)(=O)=O 854546953 OHMUGSBNQNDZEU-SECBINFHSA-N 300.336 -0.342 30 20 DBED C#Cc1ccc(C(=O)N2CCCC[C@@H]2CNS(N)(=O)=O)nc1 854839031 BBHRNVLXRAXJBG-GFCCVEGCSA-N 322.390 -0.149 30 20 DBED C#CCN1CCN(C(=O)CN2[C@H](C)C(=O)N(C)[C@H](C)[C@H]2C)CC1 878753403 YSXCFHRZWSMJPM-RBSFLKMASA-N 320.437 -0.297 30 20 DBED C#CC1(O)CN(C(=O)[C@@](C)(O)CN2Cc3ccccc3C2=O)C1 890525266 QQLTVSKDAIEGGU-INIZCTEOSA-N 314.341 -0.400 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H]2C[C@@H]2C)CC1 892060369 JGNHEBHQSYZOLC-RYUDHWBXSA-N 314.411 -0.563 30 20 DBED CN(C)S(=O)(=O)N(C)CC(=O)N[C@H](C#N)C1CCCC1 921552553 VNRVVPGHBLXZJQ-LLVKDONJSA-N 302.400 -0.077 30 20 DBED C[C@@H]1C[C@@H](NC(=O)NCC#CCO)C(=O)N1c1cnn(C)c1 923777361 IPUBWZDLCBGSDW-ZYHUDNBSSA-N 305.338 -0.791 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CCn1ccnn1 936999366 IJPBIROXIDJOIL-SRVKXCTJSA-N 302.338 -0.360 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H]1CNC(=O)C1CC(=O)NC(=O)C1 944248054 CGUZADVNJZTSBT-MWLCHTKSSA-N 320.349 -0.694 30 20 DBED CCN1CC[C@H](NCC2(O)CCN(C(=O)[C@@H](C)C#N)CC2)C1=O 946918739 QFJBLLGCUYIESG-STQMWFEESA-N 322.409 -0.290 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCN([C@@H]2CCNC2=O)CC1 948825958 ZYXYJWPYZLJQGV-KGLIPLIRSA-N 304.394 -0.883 30 20 DBED C#CCN1CCOC2(CCN(C(=O)[C@H]3CCCNC3=O)CC2)C1 949389105 SLEWZFLJRYPYDY-AWEZNQCLSA-N 319.405 -0.161 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H](NC(=O)CN2CCOCC2=O)C1 951870868 YIGSPMTWKSNLIE-RYUDHWBXSA-N 322.365 -0.888 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CCC[C@H](C1)N2C(=O)[C@H]1C[C@H]1C(N)=O 952785371 IEVXFLKQRCQBOI-YYHQMBLXSA-N 318.377 -0.141 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@]2(CCN(C(=O)Cn3cncn3)C2)C1 953210100 FPWSJKPRJSDBMM-SWLSCSKDSA-N 316.365 -0.111 30 20 DBED C[C@@H](C#N)C(=O)N1CC(N(C)C(=O)[C@H]2CCS(=O)(=O)C2)C1 954756304 UUAPCNKOEGSNNB-UWVGGRQHSA-N 313.379 -0.750 30 20 DBED C[C@@H](C#N)C(=O)N1CC(N(C)C(=O)c2ccc(C(N)=O)o2)C1 954884565 WEDZPDLMHROPJF-QMMMGPOBSA-N 304.306 -0.179 30 20 DBED C[C@]1(NC(=O)[C@H]2CNC(=O)N2)CCN(C(=O)C#CC2CC2)C1 957454505 CLHRWHUECARZBJ-ABAIWWIYSA-N 304.350 -0.812 30 20 DBED Cc1nc2cc(C(=O)NC[C@@H]3CN(CC#N)C[C@H]3O)cnc2[nH]1 958122366 UYCVUVPNKGPRFN-DGCLKSJQSA-N 314.349 -0.188 30 20 DBED C=CCCN1C[C@H](CNC(=O)c2cncc(C(N)=O)c2)[C@@H](O)C1 958693109 DXEKXVFMXSBSII-KBPBESRZSA-N 318.377 -0.221 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2CN(C(=O)COC)C[C@@H]2C)nn1 959324421 LLLHGOJCVWYFPV-RYUDHWBXSA-N 321.381 -0.065 30 20 DBED COCCN1C[C@H](C(=O)NC2[C@@H]3CN(CC#N)C[C@@H]23)CC1=O 960162549 FRCGMYAQPHLPIA-IJLUTSLNSA-N 306.366 -0.949 30 20 DBED C#CCN1C[C@H]2C(NC(=O)c3nc(OC)cc(OC)n3)[C@@H]2C1 960573991 ZVRUDWXIACLYNF-NXEZZACHSA-N 302.334 -0.213 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H](CN(C)C(=O)c2nnn(C)n2)C1 967406549 CZAMDSGUOGNGLE-GHMZBOCLSA-N 319.369 -0.320 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2CCCCCN2CC(N)=O)nn1 969061712 CZNKKEAAXVNEIR-LBPRGKRZSA-N 320.397 -0.076 30 20 DBED CC(=O)N1CC(C(=O)N2C[C@H]3CCN(C(=O)[C@@H](C)C#N)C[C@H]32)C1 971947836 ZYRNJFYWGVGGQF-ZKYQVNSYSA-N 318.377 -0.316 30 20 DBED C#CCCN1CCO[C@]2(CCN(C(=O)[C@@H]3CCNC(=O)C3)C2)C1 972340635 ZJUPXWKURCXUSJ-RHSMWYFYSA-N 319.405 -0.161 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)c3cc4n(n3)CCO4)C2)C1 972413170 HCHOAUFCERGOMU-MRXNPFEDSA-N 316.361 -0.174 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)[C@H]3CCNC(=O)CC3)C2)C1 972480805 SSDVPKIAINFBFT-RHSMWYFYSA-N 319.405 -0.161 30 20 DBED C=C(C)CN1CCO[C@]2(CCN(C(=O)CCn3cnnn3)C2)C1 972612981 ZGUXKEQMCXYARC-OAHLLOKOSA-N 320.397 -0.057 30 20 DBED NC(=O)[C@H]1CC[C@H]1C(=O)N[C@H]1[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]21 976944670 IOZUYDBBFBYOEP-GGAZOKNXSA-N 315.373 -0.516 30 20 DBED CN(C[C@@H]1CCN1C(=O)C#CC1CC1)C(=O)[C@H]1CCNC1=O 978157122 VIXIOTIFZCDCRN-STQMWFEESA-N 303.362 -0.405 30 20 DBED C#CCN1CCCN(C(=O)[C@@H]2CCc3nnc(O)n3C2)CC1 981477265 SGVFBCWGIOYFSP-GFCCVEGCSA-N 303.366 -0.286 30 20 DBED N#CCN1CCCN(C(=O)C2(n3cnnn3)CCOCC2)CC1 982156143 JQTJFSICFXSZTO-UHFFFAOYSA-N 319.369 -0.763 30 20 DBED C[C@H]1[C@H](NCC#N)CCN1C(=O)c1ccc(S(N)(=O)=O)o1 986475932 BYHSKYJWWVNSOT-DTWKUNHWSA-N 312.351 -0.357 30 20 DBED C=CCCn1cc(C(=O)N2C[C@@H](NCC(N)=O)C[C@H]2C)nn1 989543362 KREUIVSXGRHEAL-MNOVXSKESA-N 306.370 -0.468 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC(NC(=O)c2cnc(C)[nH]2)C1 990486400 ZAXZHRUFCGBLEZ-AWEZNQCLSA-N 315.377 -0.244 30 20 DBED Cn1ncc(C(=O)NC2CN(C(=O)c3ccc(C#N)[nH]3)C2)c1N 990952789 CDBGKZCRYRFYAJ-UHFFFAOYSA-N 313.321 -0.544 30 20 DBED C=CCn1cc(C(=O)NC2CN(C(=O)[C@H]3CCCCO3)C2)nn1 991674428 XLUWLQQYCXCTTR-CYBMUJFWSA-N 319.365 -0.026 30 20 DBED CC#CCN1CCC[C@H](NC(=O)CN2CC(=O)N(C)C2=O)[C@@H]1C 994214604 UXIZYEYJRLFMAK-STQMWFEESA-N 320.393 -0.127 30 20 DBED C[C@H](C#N)C(=O)N1CC(CNC(=O)c2cncc(C(N)=O)c2)C1 1002047171 ZGDMFUOFWDHPBM-SECBINFHSA-N 315.333 -0.472 30 20 DBED CN(C(=O)C(N)=O)C1CCC(NC(=O)c2ccc(C#N)[nH]2)CC1 1004204872 DCSUUSXVWJBTKW-UHFFFAOYSA-N 317.349 -0.129 30 20 DBED C#Cc1cncc(C(=O)N2CCN(C(=O)c3cnnn3C)CC2)c1 1011075720 CIDIPRYMXBVBHA-UHFFFAOYSA-N 324.344 -0.210 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2C(NC(=O)CN3CCCC3=O)[C@H]2C1 1012753011 ZAXXYRTTZXAZAG-VWYCJHECSA-N 304.350 -0.659 30 20 DBED CS[C@H](C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 1023428487 BVJRCMQGEOYPIL-GGZOMVNGSA-N 322.390 -0.061 30 20 DBED Cc1c(CC(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2O)cnn1C 1024053269 ZSQYMDGWBGQWGF-OASPWFOLSA-N 319.365 -0.881 30 20 DBED Cc1cn2nc(C(=O)NC[C@H]3CCN(CC#N)C3)cc2c(=O)[nH]1 1028712890 DRAYVQRXNNMWJS-LLVKDONJSA-N 314.349 -0.094 30 20 DBED C#Cc1cncc(C(=O)NC2CN(Cc3nnnn3C3CC3)C2)c1 1030928351 OSTWPKWWHCFCLL-UHFFFAOYSA-N 323.360 -0.002 30 20 DBED C=CCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(=O)n(CCOC)n1 1032507831 MBBRZQLGDOBEJA-STQMWFEESA-N 318.377 -0.026 30 20 DBED C=C(C)CN1CCCC[C@H](NC(=O)CN2CCNC(=O)C2)C1 1034342232 MVRLINJWYVSOSW-AWEZNQCLSA-N 308.426 -0.035 30 20 DBED COc1ccnc(O)c1C(=O)NC[C@H]1CN(CC#N)CCO1 1035581609 FLRLPBIQZKMQPV-JTQLQIEISA-N 306.322 -0.250 30 20 DBED C#CCN1CC[C@H]2CN(C(=O)c3cn(C)c(=O)n3C)CC[C@@H]21 1036905286 HEMVHORWFWPGEM-STQMWFEESA-N 302.378 -0.107 30 20 DBED C=CCCN1C[C@H]2C[C@H]1[C@H]2NC(=O)CN1CCC(=O)NC1=O 1037668181 SCOKUNNDGJLWGB-SUNKGSAMSA-N 306.366 -0.307 30 20 DBED CC#CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)C1CCN(C(N)=O)CC1 1037714643 BYEOJCDJGGQOKP-RDBSUJKOSA-N 304.394 -0.011 30 20 DBED CC#CCN1CC[C@H]1CNC(=O)[C@@H]1Cc2cncn2C(=O)N1 1038538988 YUNOETNJAZDIIV-AAEUAGOBSA-N 301.350 -0.421 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@]1(O)CCN(C(=O)C#CC2CC2)C1 1039720470 ALYHTKILHVAZTQ-CXAGYDPISA-N 318.373 -0.482 30 20 DBED C#CCCCC(=O)N1CC[C@](O)(CNC(=O)[C@H]2CCN(C)C2)C1 1039756605 HUKZCBYDDSWZHV-YOEHRIQHSA-N 321.421 -0.179 30 20 DBED C=CCO[C@H](C)C(=O)NC[C@]1(O)CCN(C(=O)c2cnco2)C1 1040161328 ACZCWWHBYGHCFA-IAQYHMDHSA-N 323.349 -0.041 30 20 DBED C=CCCC(=O)N1CC[C@@](O)(CNC(=O)c2cnn(C)n2)C1 1040303651 XJXFNCRLADQHLO-CQSZACIVSA-N 307.354 -0.526 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3CCOC3)C2)nc1 1040939344 QMYUITGYUXTNNF-YNEHKIRRSA-N 302.334 -0.345 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)c3csnn3)C2)nc1 1041263882 VQDDHUDOSWRTAG-MWLCHTKSSA-N 316.346 -0.216 30 20 DBED N#CCSCC(=O)N1CC(O)(CNC(=O)[C@H]2CCCO2)C1 1041348601 CDQNHFQBZYTHIJ-SNVBAGLBSA-N 313.379 -0.888 30 20 DBED Cn1cc(C(=O)N2CC[C@@]3(CCN(CC#N)C3)C2)c(O)nc1=O 1041828283 XHKRKBWTMXSOAC-OAHLLOKOSA-N 317.349 -0.453 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)[C@H](C2CC2)N(C)C)C1 1042941407 ZIEANCMEEZMYJR-HNNXBMFYSA-N 321.421 -0.325 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)C#CC(C)C)C1 1043032878 KZMKSFUNQWZBCJ-UHFFFAOYSA-N 306.362 -0.625 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)C2(COC)CC2)C1 1043042968 ZUPRSQUKOYEFCR-LBPRGKRZSA-N 324.377 -0.859 30 20 DBED C[C@@H]1CN(C(=O)[C@H]2COC(=O)N2)C[C@H]1Nc1ccc(C#N)nn1 1043155517 ZDOPWPOPJHPZOZ-FBIMIBRVSA-N 316.321 -0.285 30 20 DBED C=CCN1CC[C@H](N2CC(N(C)C(=O)c3cnn[nH]3)C2)C1=O 1043205565 RYQZOOUVRCVCIY-LBPRGKRZSA-N 304.354 -0.652 30 20 DBED Cc1c(CC(=O)NCC2(O)CN(C(=O)[C@@H](C)C#N)C2)cnn1C 1043342909 LOZQKOJYTDFGCE-JTQLQIEISA-N 319.365 -0.880 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CC(=O)N(CC)C2)C1 1043404466 HYHCOXMETCEBSE-GFCCVEGCSA-N 323.393 -0.490 30 20 DBED Cc1cc(N2C[C@H](O)[C@H](NC(=O)c3cc[nH]n3)C2)c(C#N)cn1 1043862264 VGQGESAUAWWRHU-OCCSQVGLSA-N 312.333 -0.036 30 20 DBED C=CCOc1cccnc1C(=O)N(C)C1CN(CC(N)=O)C1 1044165478 VXIBDBWCLOZKHA-UHFFFAOYSA-N 304.350 -0.112 30 20 DBED C#CCCCCCC(=O)NCC1(O)CN(C(=O)c2nc[nH]n2)C1 1044475502 SHBAHJYQFPRFOY-UHFFFAOYSA-N 319.365 -0.309 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)CC2CCOCC2)C1 1045541008 OMPGCGDDDHEOPW-NSHDSACASA-N 309.366 -0.348 30 20 DBED C#CCCN1CC[C@@H](N2CCN(C(=O)[C@@H]3COCCO3)CC2)C1 1046009511 UUAJCRILQIMWFX-CVEARBPZSA-N 321.421 -0.356 30 20 DBED C=CCCN1CC[C@@](C)(NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 1046667346 UQVVTIFMIHWYGC-MRXNPFEDSA-N 320.393 -0.146 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)N(CC(N)=O)C3)c[nH]1 1047053093 SAHPQDGFYATDHO-NDMJEZRESA-N 301.350 -0.046 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)[C@H]2CC23CC3)C1 1047148254 PANNICJOXYDJCT-NWDGAFQWSA-N 306.362 -0.486 30 20 DBED C=CCOCC(=O)N(C)[C@H]1CN(C(=O)c2cncnc2)C[C@@H]1O 1048555487 ZQYRSAQTNGSEBW-STQMWFEESA-N 320.349 -0.677 30 20 DBED C=C(C)CCC(=O)N(C)[C@H]1CN(C(=O)Cc2nc[nH]n2)C[C@@H]1O 1048940931 AVTFHIHMTPYTPM-RYUDHWBXSA-N 321.381 -0.266 30 20 DBED C#CCCN1C[C@H]2CN(C(=O)[C@@H]3CCS(=O)(=O)N3)C[C@H]2C1 1049219370 ODRCOXQRVUKUQX-XQQFMLRXSA-N 311.407 -0.908 30 20 DBED C#CCCN1CCOC[C@@H]1CNC(=O)c1cncc(OC)n1 1051147630 LOBYZZKHRLLHTI-LBPRGKRZSA-N 304.350 -0.061 30 20 DBED Cn1nnc2ccc(C(=O)NC[C@@H]3COCCN3CC#N)cc21 1051226801 JBOFVUFXLGUCQA-GFCCVEGCSA-N 314.349 -0.078 30 20 DBED CC#CCN1CCOC[C@@H]1CNC(=O)[C@H]1CCCC(=O)N1C 1051229171 VMHHXRHDAUSXNV-UONOGXRCSA-N 307.394 -0.162 30 20 DBED N#CCN1CCOC[C@@H]1CNC(=O)[C@@H]1CCc2c[nH]nc2C1 1051251980 AAISAIGPJJHRSO-YPMHNXCESA-N 303.366 -0.145 30 20 DBED CCn1cc(CN2CC3(C2)CN(C(=O)[C@@H](C)C#N)CCO3)nn1 1053191297 NUHKLRRZDJABDM-LBPRGKRZSA-N 318.381 -0.129 30 20 DBED C#CCN1CC2(CC[C@@H](CNC(=O)[C@@H]3CCNC(=O)CC3)O2)C1 1053638878 YUQVIHLVDXUAAD-KBPBESRZSA-N 319.405 -0.115 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)c3ccn(C)c(=O)c3)CO2)C1 1053849320 HIMSMWZIKAOABU-AWEZNQCLSA-N 315.373 -0.018 30 20 DBED C=CCN1CC2(C[C@H](NC(=O)c3cncc(C(N)=O)c3)CO2)C1 1054009885 HPKNCICBYZICNP-ZDUSSCGKSA-N 316.361 -0.060 30 20 DBED C[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1CNc1ccc(C#N)nn1 1054455356 RRWATTOQDQAZRM-NXEZZACHSA-N 302.338 -0.270 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@](CO)(NC(=O)Cc2cnc[nH]2)C1 1056165865 XNATWQUCOFBMGY-IAQYHMDHSA-N 319.365 -0.418 30 20 DBED CN(c1ccnc(C#N)n1)[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 1057013239 ZPUMBYQLEIVGJH-ZJUUUORDSA-N 315.337 -0.933 30 20 DBED C#CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)CC(F)(F)F 1057134874 GDUXHHPSNGWWSG-JTQLQIEISA-N 324.299 -0.086 30 20 DBED C=C(C)C(C)(C)C(=O)N(CCO)CCNC(=O)CNC(N)=O 1058286614 VAPPUFIJZRBPKQ-UHFFFAOYSA-N 314.386 -0.806 30 20 DBED CN1CC[C@@H](C(=O)N[C@@H]2CCN(c3cncc(C#N)n3)C2)C1 1058373933 SVVBSVCKIODFMG-VXGBXAGGSA-N 300.366 -0.005 30 20 DBED CC(C)N1CCC[C@@H]1C(=O)NCCN(CCO)C(=O)[C@H](C)C#N 1058658951 OVZHPFJXVXMMGK-ZIAGYGMSSA-N 324.425 -0.044 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)CCc1cnn[nH]1 1058870495 BPMLNWNIZAWVHT-UHFFFAOYSA-N 309.370 -0.359 30 20 DBED N#Cc1ccc(N2CC[C@@H]3[C@H](CCCN3C(=O)C(N)=O)C2)nn1 1059540287 NJFGVMYPAJAQNS-ZYHUDNBSSA-N 314.349 -0.349 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CC[C@H](CNC(=O)[C@H](C)NC(N)=O)CC1 1060813303 PVUCXOBVSJQUFP-BJDJZHNGSA-N 323.397 -0.006 30 20 DBED C=CCCC(=O)N1CCOC[C@H]1CNC(=O)[C@@H]1COC(=O)N1 1061545979 IXVCHELIJYAPIG-MNOVXSKESA-N 311.338 -0.595 30 20 DBED C=C(C)CCC(=O)NC[C@@H]1COCCN1C(=O)[C@H]1CNC(=O)N1 1061630693 AYXQYWOXBNMZCR-VXGBXAGGSA-N 324.381 -0.632 30 20 DBED O=C(C#CC1CC1)N1CCOC[C@@H]1CNC(=O)[C@@]1(F)CCOC1 1061807640 BAPJJBCGGVIIRT-XJKSGUPXSA-N 324.352 -0.128 30 20 DBED C=CCCC(=O)N1CCOC[C@H]1CNC(=O)C(=O)NCC1CC1 1061824583 RIXYVHWNXPLVES-CYBMUJFWSA-N 323.393 -0.178 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(NC(=O)c2cnnn2C)CCC1 1063041604 AEYMYAULNBVDJR-LLVKDONJSA-N 319.365 -0.378 30 20 DBED C=CCOCC(=O)N1CCO[C@@H](CNC(=O)[C@H](O)C(C)C)C1 1064969445 DDMCJUKWFZWMNN-GXTWGEPZSA-N 314.382 -0.451 30 20 DBED COCCC(=O)NC[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCO1 1065019969 ANCRWJUPKBHLEE-LBPRGKRZSA-N 320.349 -0.120 30 20 DBED C#CCCCC(=O)N1CCO[C@H](CNC(=O)c2ncn(C)n2)C1 1065094978 AFWIYHSSIHYMST-GFCCVEGCSA-N 319.365 -0.424 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)Cc2cc[nH]n2)C1 1065556962 MBLMEOWXXMSOIF-JQWIXIFHSA-N 305.338 -0.545 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H]1CCCN(C(=O)CC(=O)NC)CC1 1066170793 YAEXQPPEUBNJAR-OLZOCXBDSA-N 323.393 -0.342 30 20 DBED Cc1cc(C#N)nc(N2CC[C@@H](NC(=O)C(N)=O)[C@@H](C)C2)n1 1067429145 GCSFVTRTGUOIRV-GZMMTYOYSA-N 302.338 -0.527 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC[C@]2(CCN(C(=O)C(N)=O)C2)C1 1069750804 KRCAIUYIFUINOX-LRDDRELGSA-N 321.377 -0.649 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H]2C[C@@H]3CN(CC(N)=O)C[C@]2(C1)O3 1070835150 IGLMIPAPADFOBW-HWWQOWPSSA-N 307.394 -0.014 30 20 DBED N#CCN1C[C@H]2C[C@H]3CN(C(=O)C45CCN(CC4)C5)C[C@@]3(C1)O2 1070880932 RWFLUOHNIQIYIR-JJRVBVJISA-N 316.405 -0.093 30 20 DBED C=CCO[C@H](C)C(=O)N1CCC[C@@H](NC(=O)Cn2cnnn2)C1 1070902485 IZARKEONMSDERJ-VXGBXAGGSA-N 322.369 -0.629 30 20 DBED CNC(=O)NCCC(=O)N1CCC(C)(NC(=O)[C@@H](C)C#N)CC1 1073000157 HXVVSTQXIBSRLB-NSHDSACASA-N 323.397 -0.038 30 20 DBED C#CCN1CCC2(C1)CN(C(=O)c1cc(=O)n3[nH]cnc3n1)C2 1073124546 RMJFKBHROKRCRO-UHFFFAOYSA-N 312.333 -0.801 30 20 DBED CC#CCN1CCCO[C@H](CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 1073660958 SETVAMZMMAHJFS-BZUAXINKSA-N 323.437 -0.064 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CCN(C(=O)Cn2ncnn2)C[C@@H]1C 1073941568 SXOYWDGQXTWOPA-QWHCGFSZSA-N 318.381 -0.314 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)CN3CCCC3=O)C[C@@H]21 1074159693 JDTUHZBMJAEWEL-KBPBESRZSA-N 305.378 -0.456 30 20 DBED C#CCOCCC(=O)N1CC[C@H](NC(=O)CNC(C)=O)C[C@H]1C 1074782117 HVAGLXSXNHZFIC-OCCSQVGLSA-N 323.393 -0.342 30 20 DBED C[C@@H](CCNC(=O)C1CS(=O)(=O)C1)NC(=O)C#CC1CC1 1076670982 FQAGUJOEFOTWDL-JTQLQIEISA-N 312.391 -0.545 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2nc3ccccn3c2F)C1 1077946749 UZNFSTZZCZUYFU-NXEZZACHSA-N 303.297 -0.228 30 20 DBED CCN(C(=O)CCc1nc[nH]n1)C1CN(C(=O)[C@@H](C)C#N)C1 1079573113 QUEIJRVDQNHBMS-JTQLQIEISA-N 304.354 -0.044 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CO)(NC(=O)c2ccon2)CC1 1080747566 QKIHHDGMMUHHHL-SNVBAGLBSA-N 306.322 -0.082 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)c2cnns2)C[C@@H]1O 1081440972 BQIAJBDQZKQNHF-QWRGUYRKSA-N 322.390 -0.109 30 20 DBED CC(C)C#CC(=O)N1C[C@H](CNC(=O)Cc2cnoc2)[C@@H](O)C1 1081680112 SNYDHRGMTOPVCU-KBPBESRZSA-N 319.361 -0.188 30 20 DBED C#CCN1C[C@@H](NC(=O)C[C@H]2CCCCC(=O)N2)[C@H](OC)C1 1082344722 BIJBZRSBMPJVNN-MGPQQGTHSA-N 307.394 -0.116 30 20 DBED C[C@@H]1CN(C(=O)[C@@H]2CCc3nnnn3CC2)C[C@H]1NCC#N 1082754269 RNEZWNBDJUEELT-IJLUTSLNSA-N 303.370 -0.414 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2n[nH]cc2C(F)(F)F)C1 1083516066 LQAKVBYJPRITGU-BDAKNGLRSA-N 302.256 -0.163 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN(Cc3cn(C)nn3)C[C@@H]2O)C1 1083762527 LJROVRGUDWVOQM-OLZOCXBDSA-N 305.382 -0.167 30 20 DBED C#CCN1CC[C@@H]1CN(C)C(=O)[C@H]1C[C@H](OC)CN1C(C)=O 1085743399 MWSVDVYXJGCLEO-QLFBSQMISA-N 307.394 -0.212 30 20 DBED Cn1cc([C@@H]2CN(C(=O)c3cnnn3C)C[C@H]2NCC#N)cn1 1086977184 HXGOCJUYWIMFBY-NWDGAFQWSA-N 314.353 -0.730 30 20 DBED C=CCCN1CC[C@@H]2CN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C[C@@H]2C1 1088123036 BNKBMVJWJQRYCQ-AGIUHOORSA-N 320.393 -0.059 30 20 DBED CCN(c1ccc(C#N)cn1)[C@H](C)CNC(=O)Cn1cnnn1 1089584737 FHLIHUQYSLVCGW-LLVKDONJSA-N 314.353 -0.029 30 20 DBED C[C@H](NC(N)=O)C(=O)N1CC[C@H](N=c2cc[nH]c(C#N)n2)[C@@H]1C 1090216201 ISQWUYKGHJJHNG-GUBZILKMSA-N 317.353 -0.772 30 20 DBED N#Cc1ccc(N2C[C@@H]3CCN(C(=O)CNC(N)=O)[C@@H]3C2)cn1 1090289213 UJJZDNUXZRJGAD-GXFFZTMASA-N 314.349 -0.341 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CN(c2cccc(F)c2C#N)C[C@H]1O 1090361131 QDHJFKCTVHPTEA-TZMCWYRMSA-N 320.324 -0.501 30 20 DBED N#CCN1CC[C@H](NC(=O)c2cnn3c2OCCC3)[C@@H](O)C1 1090395841 GSVYVXOEZUHONC-RYUDHWBXSA-N 305.338 -0.646 30 20 DBED COC(=O)c1cnc(N2C[C@@H](O)[C@H](NC(=O)[C@H](C)C#N)C2)nc1 1090403987 FVDOEPYQTCVDCX-FBIMIBRVSA-N 319.321 -0.911 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CN2CCCCCC2=O)[C@H](O)C1 1090790023 KSZWHKOQNVQVMZ-HUUCEWRRSA-N 321.421 -0.036 30 20 DBED CC(C)[C@@H](O)C(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@@H]1O 1091091298 DUUGLZQRZBALOM-MBNYWOFBSA-N 304.350 -0.364 30 20 DBED COC[C@H](OC)C(=O)NC1[C@@H]2CN(c3nccnc3C#N)C[C@@H]12 1093344958 MTSRDWAYTQHCGF-FOGDFJRCSA-N 317.349 -0.440 30 20 DBED C[C@@]1(C(=O)NCCN=c2cc[nH]c(C#N)n2)CCCS1(=O)=O 1093721537 VXULPRCYSMOALF-ZDUSSCGKSA-N 323.378 -0.734 30 20 DBED CC(C)N1CCO[C@@H](C(=O)NCCNc2cncc(C#N)n2)C1 1094083245 XEOCVWDHHXNGDY-CYBMUJFWSA-N 318.381 -0.014 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)c3c(C)ccn3C)CC2=O)C1 1094729518 GAGUTKDSYMGATI-CYBMUJFWSA-N 314.389 -0.018 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)C[C@H]3CCN(C)C3)CC2=O)C1 1094809959 RTSXSBCLHOBKGK-ZIAGYGMSSA-N 320.437 -0.085 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC[C@@H](Nc2ccc3nnnn3n2)C1 1095037753 NOCUCFCJTOULSG-YGRLFVJLSA-N 317.353 -0.141 30 20 DBED C[C@H](NC(N)=O)C(=O)NCCCN(C)c1nccnc1C#N 1095534410 MZYUMWWWKPJMAN-VIFPVBQESA-N 305.342 -0.652 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CCCN(c2ccc3nnnn3n2)C1 1096151333 JARGTXHGCVNBFS-UWVGGRQHSA-N 300.326 -0.236 30 20 DBED CC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN1CCC(=O)NC1=O 1096295217 VTYQLTFXIWNPCP-AGIUHOORSA-N 318.377 -0.327 30 20 DBED CS(=O)(=O)CC(=O)N[C@H]1CCN(c2cnc(C#N)cn2)C1 1096342434 IDDCAZHPFNZIAK-VIFPVBQESA-N 309.351 -0.912 30 20 DBED N#Cc1ccc(N[C@@H](CNC(=O)[C@H]2C[C@H]2C(N)=O)C2CC2)nn1 1096808941 HWHHLKTWAOKRPE-WOPDTQHZSA-N 314.349 -0.224 30 20 DBED C[C@@H](CC(=O)N[C@H]1C[C@@H](N=c2cc[nH]cc2C#N)C1)NC(N)=O 1097224548 KFKFERJMUZJUDF-ZMLRMANQSA-N 316.365 -0.119 30 20 DBED Cc1cc(C#N)nc(N[C@H](C)CNC(=O)c2c[nH]c(=O)cn2)n1 1098220849 PPSHNMYEZHTHKG-SECBINFHSA-N 313.321 -0.030 30 20 DBED C[C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)Nc1ncccc1C#N 1098263833 AUQCJZBFIYEVQV-ZMLRMANQSA-N 317.349 -0.097 30 20 DBED C[C@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)N=c1cc[nH]cc1C#N 1098264854 VUGQZYXFNDBNJQ-JIMOISOXSA-N 317.349 -0.675 30 20 DBED N#CCNCc1cn([C@@H]2CCN(C(=O)c3cocn3)C2)nn1 1098636922 FMJWZNOVISMPNU-LLVKDONJSA-N 301.310 -0.034 30 20 DBED C=CCO[C@H](C)C(=O)N1CC[C@H](n2cc(CNCCO)nn2)C1 1098789373 BVQUIIUUBJVEQM-OCCSQVGLSA-N 323.397 -0.276 30 20 DBED C[C@@H](CCNC(=O)[C@@H]1CCNC1=O)Nc1cnc(C#N)cn1 1099617410 UUBJEFIIMOZXNU-ONGXEEELSA-N 302.338 -0.209 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)C2=CCCC2)[C@H](O)C1 1099780337 FTVSMIBCSKFQBD-ZIAGYGMSSA-N 307.394 -0.050 30 20 DBED C#CCCCC(=O)N[C@H]1CCN(Cc2n[nH]c(C)n2)C[C@@H]1O 1099804911 UCQVGZBXXFWECN-STQMWFEESA-N 305.382 -0.032 30 20 DBED C#CCCN1CC[C@@H](NC(=O)COC2CCOCC2)[C@@H](O)C1 1100024962 RKKWITIUSLZFAH-CABCVRRESA-N 310.394 -0.243 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CNC(=O)c2ccco2)[C@@H](O)C1 1100096152 ANRSQMBQGGOMJU-OLZOCXBDSA-N 319.361 -0.416 30 20 DBED N#CCN1CC[C@@H](NC(=O)CNC(=O)C2CCCCC2)[C@H](O)C1 1100096786 NBIYDZLEECUUBS-ZIAGYGMSSA-N 322.409 -0.242 30 20 DBED Cc1noc(CCCC(=O)N[C@H]2CCN(CC#N)C[C@@H]2O)n1 1100113085 ZJVWZGAGGRMZTH-RYUDHWBXSA-N 307.354 -0.224 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)N[C@H]1CCN(CC=C)C[C@@H]1O 1100128675 ALOJHLNLWQSCKX-STQMWFEESA-N 324.425 -0.012 30 20 DBED N#CCNC(=O)CNC1CC(CNC(=O)Cc2cccnc2)C1 1100250230 SJENXWNNGGGMRX-UHFFFAOYSA-N 315.377 -0.252 30 20 DBED CCN(CCNC(=O)CCn1ccnn1)c1cnc(C#N)cn1 1100520653 PFSOIZWQVJQAIZ-UHFFFAOYSA-N 314.353 -0.027 30 20 DBED C=CCNC(=O)CNC1CC(CNC(=O)C(=O)NCC2CC2)C1 1100796219 ZANVAENMEIUHPS-UHFFFAOYSA-N 322.409 -0.701 30 20 DBED C#CCCN1C[C@@H](C)[C@H](CNC(=O)[C@H](C)NC(=O)COC)C1 1101992261 GXDLWBRWGANDOK-HZSPNIEDSA-N 309.410 -0.155 30 20 DBED CN(CCNc1nccnc1C#N)C(=O)c1cc(=O)n(C)cn1 1102030578 SQYNLVGMGDSSQG-UHFFFAOYSA-N 313.321 -0.374 30 20 DBED CC(=O)N[C@H](C)C(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(C#N)n1 1102538088 KDEOQEGXSAHFSX-ICCXJUOJSA-N 314.349 -0.338 30 20 DBED CN(C(=O)CCNC(N)=O)[C@H]1CCN(c2nccnc2C#N)C1 1102709621 ISFHYBKKXFNAET-JTQLQIEISA-N 317.353 -0.556 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@@H](C)[C@H](CCNC(=O)C(N)=O)C1 1103391356 BEFOEUNKLQQABR-IJLUTSLNSA-N 310.398 -0.763 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCC(=O)N1)CNc1nccnc1C#N 1103901926 PPBHWVZYLIDELA-NXEZZACHSA-N 302.338 -0.209 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CN(c2nccnc2C#N)CCO1 1104301579 HUVJIPZTGKYXMQ-QWRGUYRKSA-N 300.322 -0.171 30 20 DBED CN(CCN(C)c1cnc(C#N)cn1)C(=O)c1cn(C)c(O)n1 1105555742 LHGVKSVOHNZZHN-UHFFFAOYSA-N 315.337 -0.004 30 20 DBED CCc1nc(C#N)cc(NC[C@H](O)CNC(=O)[C@H]2CCCO2)n1 1105737692 JGOVSERCLZAPEY-NWDGAFQWSA-N 319.365 -0.021 30 20 DBED C=CCCOCC(=O)NC[C@@H](O)CNc1nccn2nnnc12 1105890046 LELQFGHZPQLYBL-SNVBAGLBSA-N 321.341 -0.999 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H](O)CN=c2cc[nH]c(C#N)n2)nc1 1105908096 HTDVHKSDHHMVSB-LBPRGKRZSA-N 322.328 -0.651 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)C[C@](C)(O)C=C)C[C@H]1C 1106059487 WILYUQQHAVTPLE-CKEIUWERSA-N 321.421 -0.253 30 20 DBED Cc1cnn(C)c1C(=O)NC[C@@H](O)CNc1cnc(C#N)cn1 1106060257 QVDNTSDFTNMYPN-NSHDSACASA-N 315.337 -0.407 30 20 DBED Cc1cc(=NC[C@H](O)CNC(=O)Cc2cnoc2)c(C#N)c[nH]1 1106070711 ZXOGEUQTUIGZEC-ZDUSSCGKSA-N 315.333 -0.197 30 20 DBED C[C@]1(C(=O)NC[C@H](O)CNc2ccc(C#N)nc2)CCNC1=O 1106104704 PIDDIBUVSJAITD-DOMZBBRYSA-N 317.349 -0.632 30 20 DBED Cc1nc(C)c(C(=O)NC[C@H](O)CN=c2cc[nH]cc2C#N)[nH]1 1106109951 BIGYYKMIWWWOJI-GFCCVEGCSA-N 314.349 -0.082 30 20 DBED CCC(=O)N[C@H](C)C(=O)NC[C@@H](O)CN=c1cc[nH]cc1C#N 1106140826 PQUUKHJPGFUXHP-PWSUYJOCSA-N 319.365 -0.821 30 20 DBED C[C@H](CNc1ccc2nnnn2n1)NC(=O)c1ccc(C#N)[nH]1 1107721403 HVLGUINDDAKBPC-MRVPVSSYSA-N 311.309 -0.051 30 20 DBED CN1CC[C@@H](C(=O)NC[C@@]2(C)CN(CC#N)CCO2)CC1=O 1108031825 HOCPHQVIUZMJKG-DOMZBBRYSA-N 308.382 -0.415 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)[C@@H]2CCCC(=O)N2C)C1 1108373362 UMDMECGFFMDJSP-XJKSGUPXSA-N 307.394 -0.162 30 20 DBED C#CCCN1CC(N2C[C@@H](NC(=O)[C@@H](C)OCC#C)CC2=O)C1 1108545768 FQMNYPHMWOSMBN-KGLIPLIRSA-N 317.389 -0.551 30 20 DBED C=C(C)CN1CC(N2C[C@H](NC(=O)CC(=O)N(C)C)CC2=O)C1 1108575008 FLMOVFPCICTDPK-GFCCVEGCSA-N 322.409 -0.558 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H]1CCCO1 1108887673 OHNCVANAUITVID-ZOBORPQBSA-N 305.378 -0.364 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H]1CCCOC1 1109046924 UDZKFZHZBJLNQC-XGUBFFRZSA-N 319.405 -0.116 30 20 DBED COC[C@@H](OC)C(=O)N[C@H](C)CN(C)c1cnc(C#N)cn1 1109221758 ZGTCFLUZNFHEQL-ZYHUDNBSSA-N 307.354 -0.049 30 20 DBED CNC(=O)CC(=O)N[C@@H](CNc1cnc(C#N)cn1)C1CC1 1109842322 ZANWMDWJGJDPMT-NSHDSACASA-N 302.338 -0.209 30 20 DBED C[C@@]1(NC(=O)Cn2cnnn2)CCN(c2ncccc2C#N)C1 1110711485 ZOLNNDDWOPOFNM-CQSZACIVSA-N 312.337 -0.275 30 20 DBED CCOCC(=O)NC[C@]1(O)CCN(c2cncc(C#N)n2)C1 1111023060 UWZOUGYXZDTFNW-CQSZACIVSA-N 305.338 -0.558 30 20 DBED CC(=O)NCC(=O)NC[C@@]1(O)CCN(c2ccc(C#N)nc2)C1 1111038063 QXYOCABAUQFTBC-HNNXBMFYSA-N 317.349 -0.853 30 20 DBED CC1(C)CN(c2cnc(C#N)cn2)CC[C@@H]1NC(=O)CC(N)=O 1112371144 GCKQIYZQSITOPJ-NSHDSACASA-N 316.365 -0.055 30 20 DBED Cc1cc(C#N)nc(N[C@@H](C)[C@@H](C)NC(=O)Cn2cnnn2)n1 1112906023 VAIUKHSODZINCQ-ZJUUUORDSA-N 315.341 -0.352 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)[C@H]2CCCC(=O)N2)CC1 1112995983 IAQXMSODIYHBSK-QWHCGFSZSA-N 322.409 -0.510 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)[C@@]2(C)CCOC2)CC1 1113457733 AOEQODRCEPFGMG-CJNGLKHVSA-N 307.394 -0.305 30 20 DBED C[C@H](CNC(=O)[C@H]1COCCO1)N(C)c1ccnc(C#N)n1 1113501970 REWXKNKYXZDKKZ-GHMZBOCLSA-N 305.338 -0.295 30 20 DBED C[C@H](CNC(=O)[C@H]1COCCN1C)N(C)c1cncc(C#N)n1 1113561068 RRTIRZUUNIMNNP-DGCLKSJQSA-N 318.381 -0.380 30 20 DBED CC(C)OCCC(=O)NC1[C@H]2CN(CC(=O)NCC#N)C[C@H]12 1113903658 BEZOGOHOQXQUGY-RYUDHWBXSA-N 308.382 -0.512 30 20 DBED Cc1ncsc1C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1113912911 CYPNLXJTVPAQJP-IAZYJMLFSA-N 319.390 -0.249 30 20 DBED CNC(=O)NCC(=O)NC[C@H](C)N(C)c1ccc(C#N)nc1 1113938896 PBWSNMSVUYRWLP-JTQLQIEISA-N 304.354 -0.177 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)c3cc(C)ncn3)[C@@H]2C1 1114143937 XEIROYQXJFLRSV-VXGBXAGGSA-N 313.361 -0.806 30 20 DBED C=CCCN1C[C@H]2C(NC(=O)CNS(=O)(=O)CC)[C@@H]2C1 1114364479 YUDKNDXGVDIFDS-GHMZBOCLSA-N 301.412 -0.452 30 20 DBED N#Cc1cncc(N2CCCCC[C@@H]2CNC(=O)C(N)=O)n1 1114377284 FMJNCNPXRUZEGM-LLVKDONJSA-N 302.338 -0.301 30 20 DBED N#Cc1ccc(N2C[C@H]3C(CNC(=O)Cn4cnnn4)[C@@H]3C2)nc1 1114509283 WPJDTADSWIFSIS-STQMWFEESA-N 324.348 -0.562 30 20 DBED C=CCOCCN1C[C@H]2C(NC(=O)CCc3cnn[nH]3)[C@@H]2C1 1114865260 TXMVITYUTHMDFZ-CHWSQXEVSA-N 305.382 -0.014 30 20 DBED C[C@@H](CN(C)C(=O)CCNC(N)=O)Nc1nccnc1C#N 1115727705 UIBYVEVBEYOMCV-VIFPVBQESA-N 305.342 -0.335 30 20 DBED N#CCn1cc(NC(=O)C(=O)NCC(=O)N2CCCCC2)cn1 1116330952 KCKXFFXYBXRYKS-UHFFFAOYSA-N 318.337 -0.526 30 20 DBED Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)N[C@@H]1CC[C@H](C#N)C1 1118713191 WXOPCLSIILLECA-DTWKUNHWSA-N 324.362 -0.336 30 20 DBED N#Cc1ccc(NC(=O)C(=O)N2C[C@@H](CO)[C@H](CO)C2)c(F)c1 1118934493 DDJCVTOPRNACPH-QWRGUYRKSA-N 321.308 -0.305 30 20 DBED C=CCC1(O)CCN(C(=O)c2cnn(C[C@H](O)CO)c2)CC1 1119622622 QKNWBAVAJWQUOI-ZDUSSCGKSA-N 309.366 -0.221 30 20 DBED Cc1cc(C#N)nc(N[C@@H](CO)CNC(=O)c2n[nH]cc2C)n1 1121527793 FHHJDQMZAMSQFF-LLVKDONJSA-N 315.337 -0.109 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)Cn2ccnc2)nn1 1121717418 GGTVJWGVBPJZKM-NSHDSACASA-N 301.310 -0.866 30 20 DBED Cc1cc(C#N)nc(N[C@@H](CO)CNC(=O)[C@H]2OCC[C@H]2C)n1 1122584160 DRUBBWWSNPRRQA-WQAKAFBOSA-N 319.365 -0.029 30 20 DBED CCOCCNC(=O)CNCCNC(=O)CSCC#N 1123786548 BLBKWIFSGRPPRS-UHFFFAOYSA-N 302.400 -0.898 30 20 DBED Cc1ccc(C#N)c(NC[C@@H](O)CN(C)C(=O)c2cnn[nH]2)n1 1124896442 NUVMLPVSOSUPSG-LLVKDONJSA-N 315.337 -0.075 30 20 DBED COCCC(=O)N(C)C[C@@H](O)CN(C)c1ccc(C#N)nn1 1124902789 ONMNNOFWNJOGNI-LBPRGKRZSA-N 307.354 -0.360 30 20 DBED CCOCC(=O)N(C)C[C@@H](O)CN(C)c1cnc(C#N)cn1 1124949646 AKCMKUSKUVDYGG-LBPRGKRZSA-N 307.354 -0.360 30 20 DBED C[C@@H](C#N)C(=O)N(C)C[C@@H](O)CN(C)c1cncc(C#N)n1 1124988904 PFVKZHPPMNTFCZ-JQWIXIFHSA-N 302.338 -0.237 30 20 DBED C=CCOCCCC(=O)NCCNCc1nnc2n1CCOC2 1125247852 JQNCLIWRRJWHGS-UHFFFAOYSA-N 323.397 -0.003 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1cnn2ncccc12 1129607498 XZRSPMRQGDMXGX-LLVKDONJSA-N 314.349 -0.813 30 20 DBED C#CCN1CC[C@@H](c2n[nH]cc2CNC(=O)Cn2ncnn2)C1 1130388817 AKXIRAIITVGSSD-LLVKDONJSA-N 314.353 -0.865 30 20 DBED C[C@@H](CC(N)=O)C(=O)NCc1c[nH]nc1[C@H]1CCN(CC#N)C1 1130415810 PWYZZRBTHLOCOD-QWRGUYRKSA-N 318.381 -0.150 30 20 DBED C[C@H]1CN(C(=O)C2CC2)C[C@@]2(CCN(CC(=O)NCC#N)C2)O1 1131612215 CVXDKVGFZJHCIU-LRDDRELGSA-N 320.393 -0.272 30 20 DBED C#CCN1C[C@H](NC(=O)CCn2ncn(C)c2=O)CC[C@@H]1C 1132200953 VOYHEOOPBQQWMU-QWHCGFSZSA-N 305.382 -0.426 30 20 DBED C[C@@H]1CCN(C(=O)CCCS(N)(=O)=O)C[C@H]1CNCC#N 1133088180 XOIQRVRKXNXXGE-VXGBXAGGSA-N 316.427 -0.347 30 20 DBED C[C@H](C[C@@H](C)NC(=O)c1ncccc1O)NCC(=O)NCC#N 1134189125 JMYVUZLXAQUCCC-GHMZBOCLSA-N 319.365 -0.087 30 20 DBED Cc1cn(C)nc1C(=O)N[C@H](C)C[C@@H](C)NCC(=O)NCC#N 1134335189 ZGFQUEUOKQCDGD-VXGBXAGGSA-N 320.397 -0.145 30 20 DBED C=CCC[C@H](C)NCCNC(=O)c1cn(C)c(=O)n(C)c1=O 1134665505 NTMXUOMZPLVJSN-NSHDSACASA-N 308.382 -0.242 30 20 DBED C=CCCn1cc(C(=O)N[C@@H](C)C[C@@H](C)NCC(N)=O)nn1 1135667483 UBPXWKSFITXONX-MNOVXSKESA-N 308.386 -0.174 30 20 DBED C=CCCOCC(=O)N[C@H](C)C[C@@H](C)NCC(=O)NC(N)=O 1146692398 JNLJJCVUCZSCAN-GHMZBOCLSA-N 314.386 -0.353 30 20 DBED COCCCCC(=O)N1CC2(CCN(CC(=O)NCC#N)C2)C1 1147158965 MAMMCNOFONMYBP-UHFFFAOYSA-N 322.409 -0.023 30 20 DBED N#CCNC(=O)CN1CCC2(C1)CN(C(=O)Cc1ncc[nH]1)C2 1148485650 UEVNAZOKPOLYQX-UHFFFAOYSA-N 316.365 -0.874 30 20 DBED N#CCNC(=O)CNCCNC(=O)[C@H]1Cc2cccnc2C1 1149181083 JITYIRIATSEIRR-LBPRGKRZSA-N 301.350 -0.858 30 20 DBED CN(CC(=O)NC[C@H]1CN(CC#N)CCCO1)C(=O)C1CC1 1149817418 PEQBJKBNLQZDGG-ZDUSSCGKSA-N 308.382 -0.415 30 20 DBED C=C(C)CN1CCCO[C@H](CNC(=O)CCn2cnnn2)C1 1150499589 XYUGNKBSAHUFQR-CYBMUJFWSA-N 308.386 -0.154 30 20 DBED C=CCN1CCCO[C@@H](CNC(=O)CS(=O)(=O)CC)C1 1150771344 JMIFTKZQKKHJOK-LBPRGKRZSA-N 304.412 -0.186 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H](C)N1CCCCC1=O 1152169110 IQELEXSZAVOCIJ-CHWSQXEVSA-N 324.425 -0.216 30 20 DBED C[C@@H](NCCCNC(=O)c1ccc(C#N)[nH]1)C(=O)NC(N)=O 1156703587 VUNSGAULMHMDGG-MRVPVSSYSA-N 306.326 -0.821 30 20 DBED C#CCNC(=O)CC(=O)NCCCN[C@@H](C)c1nnc(C)o1 1156852736 MPCNCYIWHRHEGV-JTQLQIEISA-N 307.354 -0.326 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)c2cncnc2)C1=O 1156952798 FMFCDANVXZNFEA-ZDUSSCGKSA-N 303.366 -0.027 30 20 DBED COCC#CCN(C)C[C@H]1CCCCN1C(=O)Cn1ncnn1 1157973634 LWFPRBOOUNHYPH-CQSZACIVSA-N 320.397 -0.364 30 20 DBED N#CCNC(=O)CNCC1(CCNC(=O)[C@@H]2CCCOC2)CC1 1163757487 SOYGIMWLVAYOOI-CYBMUJFWSA-N 322.409 -0.071 30 20 DBED C#CCNCC1(CCNC(=O)CCCN2C(=O)CNC2=O)CC1 1168059129 ZNSCDVZQZGLXSU-UHFFFAOYSA-N 320.393 -0.172 30 20 DBED C=CCOCCNCCCNC(=O)COCc1ncnn1C 1169827109 CBYQWMKEUFBGRM-UHFFFAOYSA-N 311.386 -0.370 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)[C@@]12CCCN(CC1)C2 1174769451 UMFSDBYOCJZPGL-YOEHRIQHSA-N 320.437 -0.294 30 20 DBED C[C@@H](CCCCNCC(=O)NCC#N)NC(=O)C1(C(N)=O)CC1 1174996535 GMFKVHHPVDUVOC-NSHDSACASA-N 323.397 -0.844 30 20 DBED CC#CCN1CCO[C@@H]2CCN(C(=O)CNC(=O)CC)C[C@H]21 1176961493 AAPFAHSUVKJLRX-ZIAGYGMSSA-N 307.394 -0.162 30 20 DBED COCC(=O)NCCC(=O)N1C[C@H]2CC[C@H]1[C@@H](CNCC#N)C2 1177783199 RMCSBNJVEVVVMF-MJBXVCDLSA-N 322.409 -0.121 30 20 DBED C#CCCNC[C@H]1CN(C(=O)CNC(C)=O)CC12CCOCC2 1186237648 VVBVFTBUMGXFRI-HNNXBMFYSA-N 321.421 -0.009 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)[C@H]2CCC(=O)NC2)C1 1191080571 JBVCFGKYGRIMAH-STQMWFEESA-N 322.409 -0.653 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@]2(C)CC=CCC2)C1 1193210506 ADWVMJJJFCFVQE-CKEIUWERSA-N 319.405 -0.357 30 20 DBED CC(=O)N[C@H](CC1CCC1)C(=O)N[C@@H]1CN(CC#N)C[C@H]1O 1195587951 RMCVQDBOODPRPG-MGPQQGTHSA-N 308.382 -0.634 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCCN(C(=O)CC(=O)NCC)CC1 1195588591 NXSDCBBHKQVSCN-CYBMUJFWSA-N 322.409 -0.815 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)C[C@H]2CCNC2=O)CC1 1196155623 PUECNBCGNDCSIF-CYBMUJFWSA-N 322.409 -0.651 30 20 DBED CC(=O)NCCOCCNC1CCN(C(=O)[C@@H](C)C#N)CC1 1199817067 PLUNDKFLIHCVTL-LBPRGKRZSA-N 310.398 -0.121 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)[C@@H](F)CC)CCCO1 1201147591 OLVSEJHLLLXNNC-OLZOCXBDSA-N 313.373 -0.309 30 20 DBED N#CCNC[C@H]1CN(C(=O)c2cncc(C(N)=O)c2)CCCO1 1202078675 IHAPHHULIXRLKE-ZDUSSCGKSA-N 317.349 -0.475 30 20 DBED C=CCOCCN[C@H]1C[C@H]2CC[C@H]1N(C(=O)Cn1cnnn1)C2 1203942022 HNRCKCXDDUPCAE-HZSPNIEDSA-N 320.397 -0.155 30 20 DBED C=CCOCC(=O)N1CCC(CNCc2nnnn2C)CC1 1204794032 TZNYPXQCVZTPER-UHFFFAOYSA-N 308.386 -0.259 30 20 DBED CC(C)(O)CC(=O)N1CCC(CNCC(=O)NCC#N)CC1 1205113058 HCCSTVFUPJIIQB-UHFFFAOYSA-N 310.398 -0.385 30 20 DBED C=CCN1CC[C@H](N[C@H]2CCCN(C(=O)CNC(N)=O)C2)C1=O 1207265891 DVZAJTGTFVNOFX-RYUDHWBXSA-N 323.397 -0.978 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@@H](NCCC[C@@H](C)O)C1 1207872153 LEMDOGJZNZCOOF-ZIAGYGMSSA-N 309.410 -0.133 30 20 DBED CNC(=O)NC(=O)CN[C@H]1CCCN(C(=O)C#CC2CC2)C1 1207999272 ZTOBWDOJEODVCS-LBPRGKRZSA-N 306.366 -0.564 30 20 DBED CC#CCN1C[C@@H](NC(=O)CCn2ncn(C)c2=O)[C@H](C)C1 1208081302 JMLFVRUHGBVPCF-CHWSQXEVSA-N 305.382 -0.568 30 20 DBED C=CCOCCN[C@H]1CCCN(C(=O)CS(=O)(=O)NC)C1 1211126746 VEMVRUJXUDXSMA-LBPRGKRZSA-N 319.427 -0.681 30 20 DBED CC(=O)NCCOCCN[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1C 1214338082 JMAQMPQEXDPJML-YRGRVCCFSA-N 310.398 -0.265 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C2[C@H]3CCCC[C@H]23)C1 1219416035 PYFOZCZRWPOIJJ-FQUUOJAGSA-N 321.421 -0.114 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)CNC(=O)N2CCCC2)C1 1219599355 PFNPSOQYKCTFPE-OLZOCXBDSA-N 310.398 -0.471 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)c2ccn(C)c(=O)c2)C1 1219891768 CYRNSFJHBJPHGG-KGLIPLIRSA-N 321.377 -0.637 30 20 DBED C[C@H](NC(=O)c1ccco1)C(=O)N[C@@H]1CN(CC#N)C[C@@H]1O 1221022911 SNYUHCWJAMFONZ-AXFHLTTASA-N 306.322 -0.917 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C(C)(C)C(N)=O 1226922050 KXQIPULLSLODGA-VXGBXAGGSA-N 322.409 -0.736 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)c2cnnc(C)c2)CC1 1227030006 DXPIZORTMJTKQJ-UHFFFAOYSA-N 315.377 -0.271 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCC(NC(=O)c2cnn[nH]2)CC1 1228131527 BNSDYDGCDQDUPR-SNVBAGLBSA-N 306.370 -0.310 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)c2ccn(C)n2)CC1 1230262572 GZFDSFJRTYCUBZ-UHFFFAOYSA-N 303.366 -0.636 30 20 DBED C=CCOCC(=O)NCC[C@@H]1CN(CCF)CCS1(=O)=O 1230435487 FRBMLYSCSJVYFX-GFCCVEGCSA-N 322.402 -0.236 30 20 DBED C=CC[C@H](CC)NC(=O)C(=O)NCCNS(=O)(=O)CC 1258480804 BUXPSEFJLCEQNR-JTQLQIEISA-N 305.400 -0.487 30 20 DBED N#CCNC(=O)CN1CCC[C@H](NC(=O)CC2OCCCO2)C1 1317964836 VMMPADRRBNJMFE-LBPRGKRZSA-N 324.381 -0.640 30 20 DBED Cc1ccn(C[C@](C)(O)C(=O)OCC(=O)NCC#N)c(=O)c1 1320990565 DDNQMWUVWRQSMK-AWEZNQCLSA-N 307.306 -0.909 30 20 DBED COC(C)(C)CN(C)C(=O)C(=O)NC1CCN(CC#N)CC1 1322621734 JDUSIFZRNNAQLU-UHFFFAOYSA-N 310.398 -0.026 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N1CCN(CC)C(=O)[C@H]1CC 1323516988 FIOPQFJCBUTTQS-NWDGAFQWSA-N 311.382 -0.227 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCC[C@@](C)(CO)C1)[C@H]1CCCO1 1325476536 WLVDPONNGZWSMQ-WOSRLPQWSA-N 308.378 -0.096 30 20 DBED CN(CCN(C)C1CC1)C(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1326227533 OITRAYSXSHLROU-HNNXBMFYSA-N 308.382 -0.584 30 20 DBED C=CCN1C(=O)C(=O)N(Cc2nc(C[C@@H](C)NC)no2)C1=O 1326487685 WSOXMRCTADJQPJ-MRVPVSSYSA-N 307.310 -0.303 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2CCC[C@H](OC)C2)C1=O 1327165492 SLVAXAREQRRNHQ-QWHCGFSZSA-N 323.393 -0.131 30 20 DBED C=C(C)COCCNC(=O)C(=O)N1CC[C@](C)(C(=O)NC)C1 1327312030 GMEAOVLHLOJFCF-HNNXBMFYSA-N 311.382 -0.320 30 20 DBED C=C[C@H](CO)NC(=O)NC1CCN(CCS(C)(=O)=O)CC1 1327526891 YVCIVBQKEZODDF-LLVKDONJSA-N 319.427 -0.659 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CC[C@H](N)[C@H](C)C2)nn1 1331950676 QKZGQOXJKKZJHX-PWSUYJOCSA-N 306.370 -0.724 30 20 DBED C[C@@H]1COC[C@@H]1NC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1333740567 KQENLUOZFJLLIX-WXHSDQCUSA-N 306.366 -0.664 30 20 DBED C#CC1(O)CN(C(=O)Nc2cnn(CC(=O)NC3CC3)c2)C1 1334852733 NAPVQXDUQIFJPZ-UHFFFAOYSA-N 303.322 -0.627 30 20 DBED C#CC1CCN(c2nnnn2CCS(=O)(=O)NCC)CC1 1335682820 CHKHXHQSFGNLPY-UHFFFAOYSA-N 312.399 -0.538 30 20 DBED C=CCn1c(-c2ncnn2C)nnc1N1CCCNC(=O)C1 1339905654 MAQHMYVZEGEERY-UHFFFAOYSA-N 302.342 -0.414 30 20 DBED CN(C)CC1(CNC(=O)C(=O)N2CCO[C@H](C#N)C2)CCCC1 1342802091 SXXXTVBQVMIUDV-CYBMUJFWSA-N 322.409 -0.024 30 20 DBED C#CCNC(=O)C1CCN(C(=O)NC[C@@H]2COCCO2)CC1 1344716483 ALILAAJSRDTKTR-CYBMUJFWSA-N 309.366 -0.427 30 20 DBED C#CC1(O)CCN(C(=O)NCCS(=O)(=O)NC(C)C)CC1 1346163623 IQTSTBKOTLFVGR-UHFFFAOYSA-N 317.411 -0.516 30 20 DBED CC(C)n1ccc(CNC(=O)C(=O)N2CCO[C@@H](C#N)C2)n1 1346292902 YQYXJGXWXHKPSI-LBPRGKRZSA-N 305.338 -0.169 30 20 DBED C=CCn1c([C@H]2CNC(=O)C2)nnc1N1CCO[C@H](COC)C1 1355379845 PVDIXULXVKWFMA-NEPJUHHUSA-N 321.381 -0.081 30 20 DBED N#C[C@@]1(F)CCN(C(=O)c2cn(C[C@@H]3CNC(=O)O3)nn2)C1 1361794533 DBAIZAZXMKFWIB-UFBFGSQYSA-N 308.273 -0.536 30 20 DBED CCC(=O)NC1CCN(c2[nH]c(=O)n(C)c(=O)c2C#N)CC1 1364252726 WFQVWQGRDOKQCI-UHFFFAOYSA-N 305.338 -0.560 30 20 DBED COC(=O)[C@H]1CN(C)CCN(C(=O)Nc2nn(C)cc2C#N)C1 1365489495 ZPMRBMVJEZANIJ-NSHDSACASA-N 320.353 -0.140 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)C1(NC(N)=O)CC1 1371561960 GFMWDSVNUXCMCI-GMTAPVOTSA-N 321.381 -0.109 30 20 DBED COC(=O)NCC(=O)N[C@](C)(CNC(=O)[C@H](C)C#N)C1CC1 1375341020 HEYFQZKDVLOJTK-YMTOWFKASA-N 310.354 -0.097 30 20 DBED C[C@@H](CNC(=O)CO[C@H]1CCOC1)NC(=O)c1cc(C#N)c[nH]1 1386773968 OMCRDAXDBBXJIT-JQWIXIFHSA-N 320.349 -0.074 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)c2cccn3nnnc23)C1 1397200596 GXCYKDPPAQYEGW-OPRDCNLKSA-N 313.321 -0.339 30 20 DBED C[C@@H](CNC(=O)c1cc(C(N)=O)ccn1)NC(=O)[C@H](C)C#N 1397484522 JXHBQQOESHUXCC-BDAKNGLRSA-N 303.322 -0.425 30 20 DBED CC(C)c1nnc(CNc2[nH]c(=O)n(C)c(=O)c2C#N)n1C 1412883530 QABBUUBTYCKXJD-UHFFFAOYSA-N 303.326 -0.191 30 20 DBED C=C(Cl)CNC[C@@H](O)CNC(=O)[C@@H](NC(N)=O)C(C)(C)C 1422406163 XIMXVFJTCSQRPX-NXEZZACHSA-N 320.821 -0.111 30 20 DBED C[C@H](C#N)C(=O)NCCN(C(=O)CN1CCOCC1)C1CC1 1429944694 NMKZLINUQKRSFM-GFCCVEGCSA-N 308.382 -0.415 30 20 DBED CCN(CCC#N)C(=O)CN1CC(NC(=O)[C@@H]2CCCOC2)C1 1438050467 OZEHMHOMIBUSQK-CYBMUJFWSA-N 322.409 -0.024 30 20 DBED CC(C)S(=O)(=O)CC(=O)NC[C@H](C)N(C)C(=O)[C@H](C)C#N 1449918993 CLUFTOVOEVRHAT-MNOVXSKESA-N 317.411 -0.068 30 20 DBED COC[C@H]1CCCCN1C(=O)Cn1cc(C#N)c(O)nc1=O 1468980913 LJEZIHNYARIVHE-LLVKDONJSA-N 306.322 -0.152 30 20 DBED CC(=O)N1CC(C(=O)N(C)[C@H](CNC(=O)[C@@H](C)C#N)C2CC2)C1 1487649422 CERKKOPDNYIGNZ-IINYFYTJSA-N 320.393 -0.022 30 20 DBED C#CCO[C@@H](C)C(=O)NCCNc1ccc(-c2nn[nH]n2)nc1 1573288031 RPQZOBZJSMBPMY-JTQLQIEISA-N 315.337 -0.172 30 20 DBED C#CCOCCC(=O)NCC1(NC(=O)[C@@H]2C[C@@H]2C(=O)O)CC1 1573311328 MPLYGVSAFUBGGJ-MNOVXSKESA-N 308.334 -0.488 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC[C@@H]1CNCCc1cnn[nH]1 1575012677 FVZPHLMDYRAKKL-TZMCWYRMSA-N 305.382 -0.034 30 20 DBED N#Cc1nc(N2CCN(C3COC3)CC2)cnc1-c1nn[nH]n1 1581879807 YGDYCECTMDRZNH-UHFFFAOYSA-N 313.325 -0.951 30 20 DBED C=C(C)COCCNC(=O)[C@H](C)n1cnc(-c2nn[nH]n2)n1 1588428980 KSPKSMSBLUPCEJ-VIFPVBQESA-N 306.330 -0.272 30 20 DBED C=C(C)C[C@@H](NC(=O)C1CCN(S(N)(=O)=O)CC1)C(=O)O 1588540999 QDCXJMZWFZCLNO-SNVBAGLBSA-N 319.383 -0.563 30 20 DBED C[C@H]1CN(C(=O)C(=O)N2CCC[C@H](C#N)C2)C[C@@H](C(=O)O)O1 1599910589 ZWEKNLCENIVHED-AXFHLTTASA-N 309.322 -0.551 30 20 DBED N#Cc1ccc(C(=O)N2CCN([C@@]3(C(=O)O)CCOC3)CC2)[nH]1 1601092049 GSOWCFLWTTUSLF-HNNXBMFYSA-N 318.333 -0.112 30 20 DBED C=C(CCC(=O)O)C(=O)N1CCC[C@H](CNS(N)(=O)=O)C1 1602776163 MSWNVAIKVDZOPN-SNVBAGLBSA-N 319.383 -0.561 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@H](CO)Nc1ncc(C(=O)O)cn1 1602809204 CEZITKCNPDZEOW-QMTHXVAHSA-N 324.337 -0.609 30 20 DBED N#Cc1cccc(NC(=O)C(=O)N2CC3CC2(C(=O)O)C3)n1 1608217124 MYZCKHVCMURWTK-UHFFFAOYSA-N 300.274 -0.033 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@H](C(=O)O)[C@H]2C)C1=O 1609373941 XANFSBGVAIWGMA-BDAKNGLRSA-N 323.305 -0.715 30 20 DBED COCC#CCN[C@H]1C[C@H](NC(=O)C[C@@H]2CCN(C)C2=O)C1 1752643057 XHHUSOLWZUDEHR-IHRRRGAJSA-N 307.394 -0.259 30 20 DBED C=CCNC(=O)CNC[C@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1 1752957771 ACQKSUCWWIHINC-NEPJUHHUSA-N 308.382 -0.995 30 20 DBED Cn1cc(CN2C[C@@H]3C[C@H]2CN3C(=O)CSCC#N)nn1 1753417124 NIYWREOUWUHYCW-RYUDHWBXSA-N 306.395 -0.143 30 20 DBED Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3CC(=O)NCC#N)nn1 1753420848 MRARYEGGDVITJX-RYUDHWBXSA-N 314.349 -0.677 30 20 DBED CN(C)S(=O)(=O)CC(=O)N1CC[C@H]2[C@H](CCN2CC#N)C1 1753876318 UABFTIQEKNJUCL-NEPJUHHUSA-N 314.411 -0.676 30 20 DBED C=CCCn1cc(C(=O)N[C@@H](C)CCN[C@H]2CCNC2=O)nn1 1754017207 RMVXVMKKDFNCQX-RYUDHWBXSA-N 320.397 -0.159 30 20 DBED C#CCNC(=O)CNC/C=C\CNC(=O)C(C)(C)N1CCCC1 1754155859 BQGYCDKSTJKBAW-WAYWQWQTSA-N 320.437 -0.128 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCN1CC(=O)NCC=C 1754485846 CVOHHHKEPZHTRV-GJZGRUSLSA-N 318.421 -0.423 30 20 DBED CC(=O)N1CCC(C(=O)N2CCC(O)(CNCC#N)CC2)CC1 1755156403 PNGWVYUFIHQFRS-UHFFFAOYSA-N 322.409 -0.288 30 20 DBED CCC(=O)N[C@H](C)C(=O)NCC1[C@H]2CN(CC#CCOC)C[C@H]12 1755424582 ZYMQYYPMJQJRIT-BPLDGKMQSA-N 321.421 -0.155 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H](CO)CNC(=O)C(C)(C)C(F)F 1755637490 AWCYQSZBYJZHSS-ZJUUUORDSA-N 319.352 -0.518 30 20 DBED C[C@H]1[C@H](NCc2nnn(C)n2)CCN1C(=O)CSCC#N 1755661182 JBCHPIJHNMCSFY-VHSXEESVSA-N 309.399 -0.454 30 20 DBED C[C@H]1C[C@H](NCC(=O)NCC#N)CN1C(=O)Cc1cncn1C 1755690209 UEHLDTRELBMRQF-RYUDHWBXSA-N 318.381 -0.819 30 20 DBED C=CCCO[C@H](C)C(=O)N(C)C[C@@H]1CCCN1C(=O)C(N)=O 1755924856 KVMWTNBFUKXXSF-NEPJUHHUSA-N 311.382 -0.098 30 20 DBED C#CCOc1ccc(C(=O)N[C@@H](CO)CNC(=O)COC)cc1 1756500834 GAWURNOLTRRFNF-CYBMUJFWSA-N 320.345 -0.448 30 20 DBED C#CCCCC(=O)N1CCC[C@@H](NC(=O)Cn2cnnn2)[C@H]1C 1756618905 ROFYGVJAAXUMAM-CHWSQXEVSA-N 318.381 -0.028 30 20 DBED C[C@H](C[C@@H](C)NC(=O)CCNC(N)=O)NC(=O)C#CC1CC1 1756822641 FTCHUNMVZBWFEE-GHMZBOCLSA-N 308.382 -0.142 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(C(=O)CCN(C)C)C[C@H]1C 1757071544 ZWNXQVGDLZWFHZ-HZSPNIEDSA-N 309.410 -0.061 30 20 DBED C=CCn1cccc1C(=O)N1C[C@H](O)[C@H](NC(=O)COC)C1 1757150556 PJLKCJWNXACWDW-YPMHNXCESA-N 307.350 -0.378 30 20 DBED C/C=C(\C)C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1783074048 XNAKXODEKCYMFE-ATYMOSHASA-N 320.345 -0.130 30 20 DBED N#CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cn[nH]c3)[C@H]2C1 1787611443 SZEATEPUEPKASD-DRZSPHRISA-N 317.349 -0.083 30 20 DBED Cn1cnc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CC#N)C3)n1 1794932628 KDAHYWYHVSNNAX-JGPRNRPPSA-N 302.338 -0.019 30 20 DBED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)c1ncc[nH]1)C2 1846194970 MBDOCZLMHVRHOY-UHFFFAOYSA-N 302.290 -0.685 30 20 DBED C#CCN1CCN(C(=O)c2ccc(S(=O)(=O)NC)o2)CC1 76486985 GMVYPQYJKKZXFG-UHFFFAOYSA-N 311.363 -0.421 30 20 DBED CCOC(=O)CCC/N=C(/N)NCCCN1CCOCC1 104153536 XFFNOCYYRHWCQV-UHFFFAOYSA-N 300.403 -0.044 30 20 DBED CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N1CCN(C(=O)CO)CC1 152859484 VEOUQJIFITXSFT-SWLSCSKDSA-N 310.398 -0.434 30 20 DBED C=CC/N=C(/NCC(=O)N(C)C)N1CCN2C(=O)CC[C@@H]2C1 262248150 BHCUJEXBSMDTOH-GFCCVEGCSA-N 307.398 -0.487 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)OCc2noc(C)n2)C1=O 265569926 SHHDFLYYCJUPRA-UHFFFAOYSA-N 308.250 -0.602 30 20 DBED C[C@@H]1CN(S(=O)(=O)Cc2cccc(C#N)c2)C[C@@H](C(N)=O)O1 268342850 LIMLOHYQWHEWOM-MFKMUULPSA-N 323.374 -0.037 30 20 DBED CS(=O)(=O)NCCNS(=O)(=O)c1ccc(F)cc1C#N 269697591 ZDEHDUCOXXPIET-UHFFFAOYSA-N 321.355 -0.475 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC(n2cnc(C(N)=O)c2N)CC1 284351738 SBPKTJODDJZBAB-SNVBAGLBSA-N 318.381 -0.661 30 20 DBED C=CCNC(=O)CNC(=O)N1CC[C@H](C(=O)N2CCCC2)C1 286623963 CYBXQWRRZZVILF-LBPRGKRZSA-N 308.382 -0.058 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2CCSCC2)C1=O 297884513 PBOTVCBGNJZLHF-LLVKDONJSA-N 311.407 -0.193 30 20 DBED C=C(C)CN/C(N)=N/CCS(=O)(=O)NC[C@@H]1CCCCO1 304764835 YNDWYXGRICOREW-LBPRGKRZSA-N 318.443 -0.045 30 20 DBED C[C@H](/N=C(/O)CN1C(=O)CN(C)C1=O)[C@@H](C)N1CCOCC1 329100927 MTYKEOLJNLFRCJ-WDEREUQCSA-N 312.370 -0.054 30 20 DBED O=C(C/N=C(/O)CN1CCN2C(O)=NC[C@@H]2C1)N1CCCC1 330276386 MVJOVICFDFNKBM-LLVKDONJSA-N 309.370 -0.521 30 20 DBED Cn1c(N2CCC[C@@H]([C@H]3CCNC3)C2)c(C#N)c(=O)n(C)c1=O 333840899 LDBZYPIBBQLXCO-NWDGAFQWSA-N 317.393 -0.218 30 20 DBED CC[C@@H]1CN(S(=O)(=O)N(CCC#N)CCOC)C[C@@H]1O 336941735 JVQPQCJKTRTZDC-NEPJUHHUSA-N 305.400 -0.204 30 20 DBED CCOC(=O)[C@](C)(O)CNS(=O)(=O)N(CC)C[C@@H](C)C#N 336950744 TZUASXUMNHDLOK-CMPLNLGQSA-N 321.399 -0.384 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N2CCC3(CCOCC3)C2)CCO1 337056801 CRZXFNNGUKNEFB-GFCCVEGCSA-N 315.395 -0.042 30 20 DBED N#Cc1ccc2c(c1)N(C(=O)C(=O)N[C@H]1CCCNC1=O)CC2 339834250 KMIDRCUMOLJRDY-LBPRGKRZSA-N 312.329 -0.158 30 20 DBED C=CC[C@H](CO)CNC(=O)c1cc(S(N)(=O)=O)cn1C 340007270 WZUBSSDNGNLYOB-VIFPVBQESA-N 301.368 -0.413 30 20 DBED C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C#N)cn2)C[C@@H](CO)O1 340360912 QQEZFQOHDSXWPQ-KOLCDFICSA-N 304.306 -0.500 30 20 DBED Cc1nc(S(=O)(=O)NCC(=O)N[C@H](C#N)C(C)C)cn1C 343674126 RPRVFSJNPCIDLV-SNVBAGLBSA-N 313.383 -0.329 30 20 DBED N#C[C@H]1CN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CCO1 352373531 LGMZTNIPIPYWLM-QMMMGPOBSA-N 312.307 -0.029 30 20 DBED Cn1ncc(C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)c1C#N 353536664 QEXWKCDHLRPERW-CYBMUJFWSA-N 317.349 -0.245 30 20 DBED C=C[C@@H](CO)NC(=O)C(=O)Nc1cccc(-n2cnnn2)c1 354536288 AJODKNIAKQDIGY-VIFPVBQESA-N 302.294 -0.736 30 20 DBED C[C@@H](NS(C)(=O)=O)C(=O)NCC(=O)c1ccc(C#N)cc1 356165139 KOJVYIGIXQLZJN-SECBINFHSA-N 309.347 -0.205 30 20 DBED C=C[C@H](CO)NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 356879159 YBQGLRUOYQATLF-LLVKDONJSA-N 309.347 -0.500 30 20 DBED Cc1c(C#N)cccc1NC(=O)C(=O)NC[C@]1(O)CCN(C)C1 358384590 ZGRMWJRQIGWFFH-MRXNPFEDSA-N 316.361 -0.012 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N=c2cc[nH]cc2C#N)C1=O 358639640 ZUJBYARBVFNCHU-UHFFFAOYSA-N 313.273 -0.710 30 20 DBED C=CCOC[C@@H](NC(=O)[C@@H]1CN2CCCN1CC2)C(=O)OC 360722934 QPHBYLKKTOMJFF-OLZOCXBDSA-N 311.382 -0.763 30 20 DBED C=CCOC[C@@H](NC(=O)c1ccc(C(N)=O)nc1)C(=O)OC 360746986 QXTUQEUJYINEON-LLVKDONJSA-N 307.306 -0.346 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)c2cc(C(N)=O)c[nH]2)CC1 362892486 LIYVKQZFZKDGDJ-UHFFFAOYSA-N 319.365 -0.826 30 20 DBED CC(C)C(=O)N[C@@H](CO)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 365864823 DGLIVLITHAPZTG-STQMWFEESA-N 308.382 -0.682 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N1CCN([C@@H]2CCOC2)CC1 374446203 HITIYGPJJJMXLZ-CHWSQXEVSA-N 316.427 -0.271 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N[C@@H]2CNCC[C@H]2C)nn1 424545252 LNHXXHHGTWKDMN-ZYHUDNBSSA-N 306.370 -0.806 30 20 DBED CS(=O)(=O)N1CC(CNC(=O)N[C@@H]2CC[C@H](C#N)C2)C1 425516383 ZDYRCCHIPXIBRU-GXSJLCMTSA-N 300.384 -0.131 30 20 DBED C=CCCO[C@H](C)C(=O)N1C[C@H](N(C)CC(=O)O)[C@H](O)C1 435689786 DDTWTANPJZBNGX-GRYCIOLGSA-N 300.355 -0.444 30 20 DBED CNS(=O)(=O)CCNS(=O)(=O)c1ccc(F)cc1C#N 439081962 AKRZRDWIYGKVBH-UHFFFAOYSA-N 321.355 -0.475 30 20 DBED C#CCN1CCN(C(=O)Cn2nc(C)c(CCO)c2C)CC1 490971934 DXCPJDJAIUFTDN-UHFFFAOYSA-N 304.394 -0.188 30 20 DBED N#CCN1CCC[C@H](CNC(=O)CN2CCCS2(=O)=O)C1 531358398 DRNQQELPTVWSEA-GFCCVEGCSA-N 314.411 -0.626 30 20 DBED CCC[C@H](NC(=O)C(=O)Nc1cc(C)c(C#N)cn1)C(N)=O 569000020 IIQSRISJUZXRDS-JTQLQIEISA-N 303.322 -0.030 30 20 DBED C[C@H](NC(N)=O)C(=O)N1CCN(c2cnccc2C#N)CC1 581625141 ULDOEHSXIOZKMG-JTQLQIEISA-N 302.338 -0.341 30 20 DBED N#Cc1ccc(S(=O)(=O)CCNC[C@H]2CCCC(=O)N2)nc1 591763759 HOCHCJLBOWCQPS-GFCCVEGCSA-N 322.390 -0.015 30 20 DBED COC(=O)[C@@H]1C[C@@H](O)CN(S(=O)(=O)N(C)C[C@H](C)C#N)C1 592120561 YWCNKXFUSZBLLA-GMTAPVOTSA-N 319.383 -0.822 30 20 DBED N#C[C@@H]1CN(c2ncnc(N3CCOCC3)c2[N+](=O)[O-])CCO1 598595469 UBNFRINOUWYABE-SNVBAGLBSA-N 320.309 -0.050 30 20 DBED C=CCNC(=O)NC(=O)Cn1cc(C(=O)N(C)C)ccc1=O 598716455 HKRQBMKKNRCMBD-UHFFFAOYSA-N 306.322 -0.438 30 20 DBED Cc1cc(NC(=O)NC[C@H](C)S(N)(=O)=O)nn1CCC#N 611533152 DXJHWZFMDMZUQB-VIFPVBQESA-N 314.371 -0.096 30 20 DBED C=C[C@H](O)C(=O)NC[C@H](O)CS(=O)(=O)c1cccs1 612844407 HEPWQEBOKCUYGJ-IUCAKERBSA-N 305.377 -0.454 30 20 DBED C#CCN1CCC(C(=O)N2CCN(C(=O)C(=O)O)CC2)CC1 737492136 ADLAPCKJIMRNBX-UHFFFAOYSA-N 307.350 -0.913 30 20 DBED C#CCCCCC(=O)OCC(=O)c1c(N)n(C)c(=O)n(C)c1=O 773624012 LBCKJHOBJQYUKD-UHFFFAOYSA-N 321.333 -0.414 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@@H]1COCCN1CC 775010759 BYYFBBBMMFHOMX-QWRGUYRKSA-N 313.354 -0.349 30 20 DBED CCOCCCNC(=O)[C@@H](C#N)C(=O)CCn1cnccc1=O 796739535 BUQPYAVBMBWUFK-LBPRGKRZSA-N 320.349 -0.115 30 20 DBED C#C[C@H](NC(=O)C(=O)N(C)Cc1nccn1C)[C@@H]1CCCO1 809304653 NTNDMJOBBHYLSB-RYUDHWBXSA-N 304.350 -0.325 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)c2cscn2)CC1 831561562 ZTUBBHNNFREKEZ-UHFFFAOYSA-N 314.392 -0.632 30 20 DBED CNC(=O)COc1cccc(CC(=O)N[C@H]2CNC[C@H]2C#N)c1 834480483 QOCJMLIRPUFGJK-OCCSQVGLSA-N 316.361 -0.418 30 20 DBED C#C[C@](C)(CC)NCC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1 852097871 ZARZODIMSCPGFC-GXFFZTMASA-N 315.395 -0.609 30 20 DBED C#CC[C@H](CCOC)NC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1OC 859018467 VOPHGIKDYNMTNP-IJLUTSLNSA-N 318.395 -0.474 30 20 DBED CC(=O)N[C@@H](C(=O)NS(=O)(=O)c1cncc(C#N)c1)C(C)C 860785222 PVHNXXHIEDMZMP-GFCCVEGCSA-N 324.362 -0.081 30 20 DBED C#CC[C@H](CCOC)NC(=O)[C@H]1CCCN(S(N)(=O)=O)C1 863781485 MRUDULKNHWUCKP-NWDGAFQWSA-N 317.411 -0.554 30 20 DBED CN(C(=O)C(=O)N1CCN(CCC#N)CC1)C1CCC(N)CC1 868384727 GRZNHGPOOGNHMQ-UHFFFAOYSA-N 321.425 -0.227 30 20 DBED C#CCN1CCN(C(=O)CN2C[C@H](C)[C@@](C)(C(=O)OC)C2)CC1 879133971 NRQBOPFRLQJYEA-YOEHRIQHSA-N 321.421 -0.105 30 20 DBED C#CC1(O)CN(C(=O)CSCC(=O)Nc2cc(C)on2)C1 890520105 WZAVTQUJIQQCKI-UHFFFAOYSA-N 309.347 -0.139 30 20 DBED N#C[C@@]1(NC(=O)CN2CCNC(=O)C2)CCc2ccccc2C1 907449384 CISAGMMAZWIBNV-QGZVFWFLSA-N 312.373 -0.014 30 20 DBED C#CC1(O)CN(S(=O)(=O)N2CCC[C@H](C(=O)OCC)C2)C1 908228721 IYNXETFJIQOJSI-NSHDSACASA-N 316.379 -0.814 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)CN2CCCCC2=O)C1 938242255 WEMAXIHBMJYFFK-RYUDHWBXSA-N 306.366 -0.124 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](NC(=O)c2nccnc2C(N)=O)C1 940359160 BFWQQGQQGJFSSA-DTWKUNHWSA-N 316.321 -0.934 30 20 DBED C[C@@H](C#N)C(=O)N1CCCN(C(=O)[C@@H]2CN(C)CCO2)CC1 940593382 BCMGYSABKSTRND-STQMWFEESA-N 308.382 -0.462 30 20 DBED C#Cc1cncc(C(=O)N2CC[C@@H](NC(=O)Cn3cncn3)C2)c1 942461435 LCBRCXZQTXCBBG-CQSZACIVSA-N 324.344 -0.315 30 20 DBED NC(=O)CC(=O)N1CC[C@@H]2[C@@H](CCN2C(=O)C#CC2CC2)C1 945914095 NMOMOQCPOSVLAR-QWHCGFSZSA-N 303.362 -0.275 30 20 DBED CO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1NC(=O)c1cn(C)c(O)n1 946577706 SKHIXOJSINVQFB-FXPVBKGRSA-N 321.337 -0.759 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C[C@H]1C 947324013 OTXBYWNJHJBMJO-VXGBXAGGSA-N 320.397 -0.078 30 20 DBED C#CCCN1CCOC2(CCN(C(=O)[C@H]3CNC(=O)N3)CC2)C1 949454428 KTNUVNSGFUTWCZ-CYBMUJFWSA-N 320.393 -0.616 30 20 DBED C#CCN1CCOC2(CCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)C1 949472979 QRGRATSFHDHNGE-OLZOCXBDSA-N 305.378 -0.566 30 20 DBED C=CCN1CC[C@H](N2CCN(C(=O)Cc3cnc[nH]3)CC2)C1=O 950732625 PMKMNRKZPJHTQY-AWEZNQCLSA-N 317.393 -0.117 30 20 DBED CC#CCN1C[C@@H](O)[C@@H](CNC(=O)c2ccnn2CCOC)C1 958171031 FWGKCGHHQYFPHN-DZGCQCFKSA-N 320.393 -0.425 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2ccnc(NC(C)=O)c2)C1 958488805 HLAAFTOGQZWWPB-UONOGXRCSA-N 316.361 -0.304 30 20 DBED C=CCN1C[C@H](O)[C@H](CNC(=O)c2nc(O)nc(O)c2OC)C1 958581826 UCMBHGCNSKYUGT-BDAKNGLRSA-N 324.337 -0.895 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2cccc(C(=O)NC)n2)C1 958630643 JZQOJDHSXSNBCS-BXUZGUMPSA-N 316.361 -0.903 30 20 DBED C#CCN1C[C@H]2[C@H](NC(=O)c3cc4c(=O)[nH]c(C)cn4n3)[C@H]2C1 961352104 XFFBULDCWFIRAW-YABSGUDNSA-N 311.345 -0.376 30 20 DBED C#Cc1cncc(C(=O)N[C@H]2[C@@H]3CN(Cc4nnnn4C)C[C@@H]32)c1 961724568 VFCOVAOGPQWKEB-NHAGDIPZSA-N 323.360 -0.553 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CN(C(=O)c3ncc[nH]3)C[C@@H]2O)c1 962121881 NZGYYMXOCIBONQ-MNOVXSKESA-N 314.305 -0.775 30 20 DBED CC#CCN1C[C@H]2[C@H](NC(=O)CN3C(=O)NC(=O)C3(C)C)[C@H]2C1 962192206 MHZJYBAFKWCNQD-PJXYFTJBSA-N 318.377 -0.614 30 20 DBED O=C(C[C@H]1CCCOC1)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 963693212 HNLQZAIZFUNJJA-KFWWJZLASA-N 320.389 -0.096 30 20 DBED Cc1nn[nH]c1C(=O)NC[C@H]1COCCN1C(=O)C#CC1CC1 964291481 PLNFXVOIMXBOAC-LBPRGKRZSA-N 317.349 -0.516 30 20 DBED Cc1c[nH]c(C(=O)N[C@H]2COC3(C2)CN(C(=O)[C@@H](C)C#N)C3)n1 965711885 UNFYPWGUKSRUFC-GXSJLCMTSA-N 317.349 -0.023 30 20 DBED CN(CC#N)[C@@H]1CCN(C(=O)CN2C(=O)CC(C)(C)C2=O)C1 971544432 BAAKYBGACXOMNC-LLVKDONJSA-N 306.366 -0.172 30 20 DBED COC(=O)[C@H]1C[C@H]1C(=O)N[C@H]1[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]21 976260368 VBBZPKQQWJPFLO-JYKNGBAOSA-N 316.357 -0.218 30 20 DBED C[C@@]1(C(=O)N[C@H]2[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]32)CCNC1=O 977188244 BJPCCNLFGJHUGW-CXUUEIJPSA-N 315.373 -0.501 30 20 DBED CC1(C)CN(CC#N)C[C@@H]1NC(=O)CN1C(=O)NC(=O)C1(C)C 977420762 PGOFIQBJSMQRMG-JTQLQIEISA-N 321.381 -0.333 30 20 DBED Cc1cc(C(=O)NCC2[C@H]3CN(CC#N)C[C@H]23)ncc1C(N)=O 978746970 POVAESUWSHZIHM-CHWSQXEVSA-N 313.361 -0.080 30 20 DBED C#CCCN1C[C@H]2[C@H](CNC(=O)[C@H]3CN(C(C)=O)CCO3)[C@H]2C1 979013981 LGXGMKPRHRZVGG-LVQVYYBASA-N 319.405 -0.449 30 20 DBED C=CCN[C@H]1C[C@H](C)N(C(=O)CN2CCCS2(=O)=O)C1 988928301 NMBHKISQPSIKBX-RYUDHWBXSA-N 301.412 -0.213 30 20 DBED C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2coc(S(N)(=O)=O)c2)C1 989058371 VHJZTEDNUVVHFU-MWLCHTKSSA-N 311.363 -0.247 30 20 DBED C[C@@H]1C[C@@H](NCC#N)CN1C(=O)CCc1nnc(O)nc1O 989086743 IKPWRRFNBWPUFJ-RKDXNWHRSA-N 306.326 -0.682 30 20 DBED N#Cc1ccc(C(=O)NC2CN(C(=O)c3nccnc3N)C2)[nH]1 990890944 VMLZMJLWFRMHJA-UHFFFAOYSA-N 311.305 -0.487 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)C3(C(N)=O)CC3)C[C@]2(C)C1 993332589 ILAHDYSRIJCBTN-HFAKWTLXSA-N 318.377 -0.282 30 20 DBED C[C@H]1[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)CCCN1CC#N 994208418 IBGQAOHZVPTUEV-QWRGUYRKSA-N 307.354 -0.627 30 20 DBED C=CCNC1CC(N(C)C(=O)Cn2ccc(=O)n(C)c2=O)C1 998865643 GJQJEGSADKQLJO-UHFFFAOYSA-N 306.366 -0.688 30 20 DBED N#CCN[C@H]1CCCN(C(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 999790080 JOPVUYYKGYUBTO-JQWIXIFHSA-N 302.338 -0.530 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](CNC(=O)C3=COCCO3)[C@H]2C1 1008742914 JXURJBJYTYGXKI-FIQHERPVSA-N 305.334 -0.145 30 20 DBED C#Cc1cncc(C(=O)N2C[C@H](NC(=O)C(N)=O)C[C@H]2C)c1 1014047389 XSFQFDZNVWRSLO-BXKDBHETSA-N 300.318 -0.733 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(CN(C(=O)CS(C)(=O)=O)C2)C1 1018848690 SBNODEADZORSMB-JTQLQIEISA-N 313.379 -0.748 30 20 DBED C#Cc1ccc(C(=O)N2CC3(CCN(C(=O)C(N)=O)C3)C2)nc1 1019235577 ZRAQINYURNUHLE-UHFFFAOYSA-N 312.329 -0.777 30 20 DBED C[C@H](C#N)C(=O)N1CCCO[C@H](CNC(=O)c2cnon2)C1 1019655171 IGINQUUPOZAQST-NXEZZACHSA-N 307.310 -0.423 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H](NCc2nnn(C)n2)C1 1020168121 WLSBINXFCYLKQZ-LPWJVIDDSA-N 320.397 -0.072 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)C[C@H]1CCNC1=O 1026597085 VIIPHXAYKNTTBX-MRVWCRGKSA-N 317.389 -0.111 30 20 DBED C=CCCn1cc(C(=O)NC2CN([C@H]3CCN(C)C3=O)C2)nn1 1031079827 NFFZMIBORUWHQS-ZDUSSCGKSA-N 318.381 -0.501 30 20 DBED C#Cc1ccccc1CC(=O)NC1CN(Cc2nnnn2C)C1 1031312909 VBQRVPNQWKLKRI-UHFFFAOYSA-N 310.361 -0.266 30 20 DBED Cn1nnc(CN2C[C@@H]3C[C@H]2CN3C(=O)c2cc(C#N)c[nH]2)n1 1032337491 BWMWYABDNBHPKR-QWRGUYRKSA-N 312.337 -0.491 30 20 DBED Cn1nnnc1CNC[C@H]1CCCN1C(=O)c1ccc(C#N)[nH]1 1034911919 KHIWXQROEQRNRS-LLVKDONJSA-N 314.353 -0.196 30 20 DBED C=CCN1CC[C@@H]2CN(C(=O)CN3CCN(C)C(=O)C3)CC[C@@H]21 1036752683 DCMKYPBSULTOBX-CABCVRRESA-N 320.437 -0.131 30 20 DBED C#CCN1CC[C@H]2CN(C(=O)c3ccc(=O)n(C)n3)CC[C@@H]21 1036887608 ULGFJSSOCXSQFI-JSGCOSHPSA-N 300.362 -0.050 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3C[C@H]2N(CC(=O)N2CCC2)C3)c1 1037350929 OBSWXHMULSMJBH-NJZAAPMLSA-N 313.361 -0.079 30 20 DBED Cn1nc(C(=O)N2[C@H]3CC[C@H]2CN(CC#N)CC3)ccc1=O 1039466874 JUJASMJWMCVFSG-RYUDHWBXSA-N 301.350 -0.017 30 20 DBED CC(C)C#CC(=O)N1CC[C@@](O)(CNC(=O)[C@H]2CCCO2)C1 1040105121 WQSJBICDDWHOQK-CZUORRHYSA-N 308.378 -0.096 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)CSCC#N)C1 1040759695 CIGBALACJPXYDM-GWCFXTLKSA-N 310.379 -0.518 30 20 DBED Cc1nonc1C(=O)N1CC[C@](O)(CNC(=O)[C@H](C)C#N)C1 1040769302 KTIONZVNXZUMJV-OQPBUACISA-N 307.310 -0.769 30 20 DBED C#CCN1CC[C@]2(CCN(C(=O)c3cn(C)c(=O)cn3)C2)C1 1041485360 GTHBIPGNMUYFCX-INIZCTEOSA-N 300.362 -0.049 30 20 DBED Cc1cc(C(=O)NCC2(O)CN(C(=O)[C@@H](C)C#N)C2)nn1C 1041750324 JMAHPJPXRAIUPH-VIFPVBQESA-N 305.338 -0.809 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)[C@@H]2CCOC2)C1 1041889373 MPVJIHKDRMYNGE-NWDGAFQWSA-N 312.366 -0.697 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)COCCC)C1 1042040172 PSSBOBMPJRREDY-UHFFFAOYSA-N 300.355 -0.695 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)c2conc2CC)C1 1042052642 PIWUUOVXIBUTRJ-UHFFFAOYSA-N 323.349 -0.257 30 20 DBED CC#CCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCCN2C)C1 1042104173 LXDRZYVOFBJHEO-AWEZNQCLSA-N 321.421 -0.036 30 20 DBED C#CCN1CC[C@@H]2CCN(C(=O)CN3CC(=O)NC3=O)C[C@H]21 1042273876 VOMHFVBWHQWEEW-VXGBXAGGSA-N 304.350 -0.906 30 20 DBED C#CCN1CC[C@H]2CCN(C(=O)Cn3c(O)nnc3O)C[C@H]21 1042325143 DMICWECDKUWYIA-WDEREUQCSA-N 305.338 -0.755 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2[nH]ccc2C)C1 1042854501 XNKNWFOCVXSQEW-LBPRGKRZSA-N 319.361 -0.335 30 20 DBED C=CCC(C)(C)C(=O)NCC1(O)CN(C(=O)C2(C(N)=O)CC2)C1 1043061722 NJBJXTZKOXCYRI-UHFFFAOYSA-N 323.393 -0.456 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)Cn2ccnc2)C1 1043708546 CIRDRLSSVYUVBG-UHFFFAOYSA-N 304.350 -0.624 30 20 DBED CN(C(=O)[C@@H]1CNC(=O)N1)C1CN(Cc2ccccc2C#N)C1 1043711134 QHUSLMXPVYHGIM-AWEZNQCLSA-N 313.361 -0.118 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 1044475101 LFSFBLYGFPNADU-ZJUUUORDSA-N 309.366 -0.991 30 20 DBED Cn1c(C(=O)N2CCN([C@@H]3CCN(CC#N)C3)CC2)cnc1O 1046049408 NWWWSXYZKNBEJV-GFCCVEGCSA-N 318.381 -0.519 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2c(C)ncnc2O)C1 1047496580 GLXFEGATHCASQK-RYUDHWBXSA-N 304.350 -0.369 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3n2CCCC3)C1 1047500649 HBMZYRDWMYREEJ-KBPBESRZSA-N 302.378 -0.030 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@]2(C)CCN(C(C)=O)C2)C1 1047590072 WXMGNXDOMVCQOQ-ZOBUZTSGSA-N 321.421 -0.228 30 20 DBED C=CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2cccnc2C(N)=O)C1 1047636073 LTIJJDFEAYMIDU-STQMWFEESA-N 318.377 -0.126 30 20 DBED C[C@@H](C(N)=O)N1C[C@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]2C1 1048763614 BHNQRANWGNZLNB-GARJFASQSA-N 301.350 -0.236 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2CN(CC(N)=O)C[C@@H]2C1 1049110959 FVYLMACVJMLHBG-XFMPKHEZSA-N 307.394 -0.157 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)Cn1c(O)nnc1O)C2 1050742027 SUHMHZWXNNOLFZ-UHFFFAOYSA-N 305.338 -0.753 30 20 DBED CC#CCN1CCOC[C@@H]1CNC(=O)c1c[nH]c(C(N)=O)c1 1051241820 OEMDHZLXKRJBNU-LBPRGKRZSA-N 304.350 -0.433 30 20 DBED N#CCN1CCN([C@@H]2CCN(C(=O)CN3CCOCC3)C2)CC1 1052011536 UBAPEBFXWJURIF-OAHLLOKOSA-N 321.425 -0.939 30 20 DBED N#CCN1CCN([C@@H]2CCN(C(=O)Cn3ccnc3)C2)CC1 1052123867 SAUVQMXZAXNXMA-CQSZACIVSA-N 302.382 -0.375 30 20 DBED C#CCCCC(=O)N1C[C@@H](C)[C@H](CNC(=O)Cn2ncnn2)C1 1052477206 FWKPNGKXPPJOIM-CHWSQXEVSA-N 318.381 -0.313 30 20 DBED C=CCN1CC2(CC[C@@H](CNC(=O)c3cn(C)c(=O)n3C)O2)C1 1053700755 BWOYRIDGENEILR-LBPRGKRZSA-N 320.393 -0.127 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)c3ccn(C)c(=O)c3)CO2)C1 1053849775 UGLWEOSFPHIATK-CQSZACIVSA-N 315.373 -0.018 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)C[C@H]3CCC(=O)N3C)CO2)C1 1053887696 ODFBOUDMVYCPFR-UONOGXRCSA-N 319.405 -0.020 30 20 DBED N#Cc1cnccc1N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cn1ncnn1 1055108484 DXUHQOLPENYRDT-DYEKYZERSA-N 324.348 -0.134 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2C1 1055291487 YXNSBNPNGXALSN-UPJWGTAASA-N 316.361 -0.798 30 20 DBED CC(C)C#CC(=O)N1CCC[C@H]2[C@H]1CCN2C(=O)CNC(N)=O 1056390231 RNFPTWAZHDYWDK-QWHCGFSZSA-N 320.393 -0.094 30 20 DBED CC(C)C#CC(=O)N1C[C@@H]2CCCN(C(=O)CNC(N)=O)[C@@H]2C1 1056594628 AEORSATYSUXQFF-QWHCGFSZSA-N 320.393 -0.237 30 20 DBED C=CC(C)(C)CC(=O)NCCN(CCO)C(=O)CNC(C)=O 1056815939 IZAALPXYZQGHFU-UHFFFAOYSA-N 313.398 -0.338 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)c1[nH]cnc1CC 1058361879 AMULFOXDGPXLMO-UHFFFAOYSA-N 324.381 -0.275 30 20 DBED N#Cc1nccc(N2CC[C@H](NC(=O)[C@@H]3CCNC3=O)C2)n1 1058507244 BIXQSDBRKWILTC-VHSXEESVSA-N 300.322 -0.821 30 20 DBED CCOC1CC(C(=O)NCCN(CCO)C(=O)[C@H](C)C#N)C1 1058652855 GTLCIAPDLJMOTL-PNESKVBLSA-N 311.382 -0.102 30 20 DBED O=C(C#CC1CC1)NCC[C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 1060259251 WFUIAWFJJDHMIX-CHWSQXEVSA-N 318.377 -0.564 30 20 DBED CC(=O)N[C@H](C)C(=O)NC[C@H]1COCCN1C(=O)C#CC1CC1 1061253279 SEYSOBZDOYXMBJ-RISCZKNCSA-N 321.377 -0.732 30 20 DBED C=CCCC(=O)NC[C@H]1COCCN1C(=O)CNC(=O)NC 1061401682 LDZZUXOJUAJAQK-NSHDSACASA-N 312.370 -0.775 30 20 DBED C=CCOCC(=O)NC[C@H]1COCCN1C(=O)Cn1ccnc1 1061419152 HBKKQGPELRRBGD-ZDUSSCGKSA-N 322.365 -0.571 30 20 DBED C=CCOCC(=O)NC[C@H]1COCCN1C(=O)CCN(C)C 1061426616 RAQLAJGAYWTQOP-ZDUSSCGKSA-N 313.398 -0.516 30 20 DBED Cn1cc(C(=O)NC[C@@H]2CCN(c3cnc(C#N)cn3)C2)nn1 1061582419 BFLCLVPNEIUIGM-JTQLQIEISA-N 312.337 -0.267 30 20 DBED C=CC(C)(C)C(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1CCC(=O)N1 1061753564 OFIRLSKALWTTHS-NEPJUHHUSA-N 323.393 -0.179 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)CN2C(=O)CCC2=O)CCC1 1063005586 NQFVSLFVXDKUDP-JTQLQIEISA-N 320.349 -0.550 30 20 DBED Cc1cc(C#N)nc(NC[C@@H]2CCCN2C(=O)CC(N)=O)n1 1064880219 POMVEHIAIYNDTH-NSHDSACASA-N 302.338 -0.065 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(C(=O)[C@@H]2COCCO2)CCO1 1064881340 SEEFBBSWDZVPIZ-KBPBESRZSA-N 322.361 -0.841 30 20 DBED NC(=O)CCCC(=O)NC[C@H]1CN(C(=O)C#CC2CC2)CCO1 1065136779 HMZRDUNQSDCFKI-ZDUSSCGKSA-N 321.377 -0.601 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)Cc2ccn(C)n2)C1 1065555927 BMZMHVUFDMDXEC-AAEUAGOBSA-N 319.365 -0.534 30 20 DBED C#CCO[C@H](C)C(=O)N1CCN([C@@H]2CCN(C(C)=O)C2)CC1 1065675464 QRJOGWMIRLOAFV-UKRRQHHQSA-N 307.394 -0.210 30 20 DBED N#Cc1cnc(N2CC[C@@H]3[C@H]2CCCN3C(=O)C(N)=O)cn1 1066182476 DJZARAGJSHQWOP-GHMZBOCLSA-N 300.322 -0.597 30 20 DBED NC(=O)CC(=O)NC[C@H]1CCC2(CN(C(=O)C#CC3CC3)C2)O1 1068543426 JAGGRGITLCBOFE-GFCCVEGCSA-N 319.361 -0.849 30 20 DBED Cn1cncc1CC(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1 1070076542 ROEOUVSWHKXBAN-OLZOCXBDSA-N 314.353 -0.881 30 20 DBED Cn1cnc([C@@H]2CN(C(=O)[C@@]34COC[C@@H]3C4)C[C@H]2NCC#N)c1 1070494763 HNIQFIDVNGKQIB-GMZLATJGSA-N 315.377 -0.136 30 20 DBED C=CCOCC(=O)N1CCC[C@@H](NC(=O)Cc2n[nH]c(C)n2)C1 1070554523 UOXSPAIHORMOGW-GFCCVEGCSA-N 321.381 -0.035 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC[C@@H](NC(=O)Cn2cncn2)C1 1070731920 QFFCULSXMSITRR-CHWSQXEVSA-N 319.365 -0.576 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)Cc4cc[nH]n4)C[C@@]3(C1)O2 1070778414 QRWZKFOXCVWWTI-JGGQBBKZSA-N 300.362 -0.113 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCC[C@@H](NC(=O)c2nnn(C)n2)C1 1070905149 PCHHWLFMOYARDE-WDEREUQCSA-N 322.369 -0.478 30 20 DBED CCn1nccc1C(=O)N1CCC(=O)NCCN(CC#N)CC1 1070957387 AQIXCUPADJACAO-UHFFFAOYSA-N 318.381 -0.309 30 20 DBED C=CCCOCC(=O)N1C[C@@H](C)[C@@H](NC(=O)Cc2nc[nH]n2)C1 1072336327 KDYWWUYJMAGGDW-NEPJUHHUSA-N 321.381 -0.097 30 20 DBED N#Cc1ccc(C(=O)N2CC3(CCN([C@@H]4CCNC4=O)C3)C2)[nH]1 1072635876 YNVFLDOONFUQEX-CYBMUJFWSA-N 313.361 -0.077 30 20 DBED CN1CC[C@H](C(=O)N2CC3(CCN(CC#N)C3)C2)S1(=O)=O 1073053218 AOWWEVMTKNNGQW-LLVKDONJSA-N 312.395 -0.922 30 20 DBED C=CCN1CCCO[C@H](CNC(=O)[C@H]2CCS(=O)(=O)C2)C1 1073684027 GOUACBLXCKJDIF-QWHCGFSZSA-N 316.423 -0.186 30 20 DBED C=C(C)CN1CCCO[C@H](CNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 1073795305 AEGPPAKXQPGTLE-NEPJUHHUSA-N 324.381 -0.632 30 20 DBED N#Cc1cc(C(=O)N2CC[C@H]3OCCN(CCO)[C@@H]3C2)c[nH]1 1074212754 VGVBMNZQNWQCKN-ZIAGYGMSSA-N 304.350 -0.206 30 20 DBED CC#CCN1CCO[C@@H]2CCN(C(=O)C3(C(N)=O)CC3)C[C@H]21 1074327372 SWEWKGWWUFOORG-CHWSQXEVSA-N 305.378 -0.423 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)c3cnn(C)c3OC)C[C@H]21 1074392216 GQQDQNJURWIMRI-KGLIPLIRSA-N 318.377 -0.023 30 20 DBED Cc1c[nH]nc1C(=O)N1CCC(O)(CNC(=O)[C@@H](C)C#N)CC1 1074580053 AAOGCFHDUAPTHH-JTQLQIEISA-N 319.365 -0.039 30 20 DBED C[C@@H](CCNC(=O)C#CC(C)(C)C)NC(=O)[C@@H]1CNC(=O)N1 1076434235 LOEHWUQWKZPNCG-QWRGUYRKSA-N 308.382 -0.272 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCN(C(C)(C)C)C2=O)C1 1077550197 WCVVWMCESCDHMI-MGPQQGTHSA-N 321.421 -0.182 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2ccnc(-n3cccn3)c2)C1 1077655420 OFSZOXWQIVLNIC-ZIAGYGMSSA-N 311.345 -0.325 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)c2c(C)nn(C)c2C)C1 1078278939 LIWMUQLXSPDUFG-ZLKJLUDKSA-N 304.394 -0.065 30 20 DBED C[C@@H](C#N)C(=O)NC1(CO)CCN(C(=O)c2ncc[nH]2)CC1 1080980173 MERBNMINKNRLOX-JTQLQIEISA-N 305.338 -0.347 30 20 DBED CC#CCCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CNC(C)=O)C1 1081202973 WVLBUYHWQQIMKI-UONOGXRCSA-N 323.393 -0.748 30 20 DBED C#CCOCCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cocn2)C1 1081335990 ROIAARFHWJFUCV-YPMHNXCESA-N 321.333 -0.736 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2(NC(N)=O)CC2)C1 1081418810 DAFAYTDHIVKRBQ-WDEREUQCSA-N 324.381 -0.911 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)Cc2ccon2)C[C@H]1O 1081463534 OYMNJXIQLXVTPY-TZMCWYRMSA-N 319.361 -0.188 30 20 DBED CN(C)CCCC(=O)NC[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1081701676 YVUDDJRTZLGLAM-HUUCEWRRSA-N 321.421 -0.323 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cccc(=O)n1C 1083188468 WPFMOHCWGBIGKU-UONOGXRCSA-N 301.346 -0.456 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)[C@H]2CCCCN2C(N)=O)C1 1083938725 LBAWQMWFFQBUDD-UPJWGTAASA-N 310.398 -0.343 30 20 DBED C[C@@H](C[C@@H](C)N=c1cc[nH]c(C#N)n1)NC(=O)c1cn(C)nn1 1089291200 LUSXROSWPBGWTL-ZJUUUORDSA-N 314.353 -0.092 30 20 DBED N#Cc1ccc(N2CC=C(CCNC(=O)CC(N)=O)CC2)nn1 1089822074 NCAYORCOBKKCJG-UHFFFAOYSA-N 314.349 -0.134 30 20 DBED C#CCN1CC[C@H](NC(=O)Cc2nnn(C(C)(C)C)n2)[C@@H](O)C1 1090293188 SFNHHPAEDRIJPA-RYUDHWBXSA-N 320.397 -0.845 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2c(C)nnn2CC)[C@H](O)C1 1090321696 HPMIIQBQBGXUST-QWHCGFSZSA-N 305.382 -0.205 30 20 DBED Cc1cnc2nc(C(=O)N[C@@H]3CCN(CC#N)C[C@@H]3O)nn2c1 1090350397 VUEFBBNHIHIKTM-MNOVXSKESA-N 315.337 -0.879 30 20 DBED CCOCC(=O)N1CCCO[C@@H](CN=c2cc[nH]c(C#N)n2)C1 1090564228 ZWNASNJMNVJSFY-LBPRGKRZSA-N 319.365 -0.164 30 20 DBED C#CCN1CC[C@H](NC(=O)c2nnn(C(C)C)c2C)[C@@H](O)C1 1090685691 KIJSAJDNAOWVHY-STQMWFEESA-N 305.382 -0.034 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2c[nH]c(C)cc2=O)[C@H](O)C1 1090700257 ZRQUZJOZAOVJHB-UKRRQHHQSA-N 303.362 -0.128 30 20 DBED CSCCC(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@@H]1O 1091067137 QCMUROPWITZGMI-MNOVXSKESA-N 307.379 -0.233 30 20 DBED COC[C@@H](C)C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1091088376 CSPMRYYAMQLZQC-MXWKQRLJSA-N 305.338 -0.704 30 20 DBED COC(=O)NCC(=O)N[C@H]1[C@@H]2CN(c3cnc(C#N)cn3)C[C@@H]21 1093240088 QNURAEALIOBOKK-IWIIMEHWSA-N 316.321 -0.745 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)c3ccc(C)n3C)CC2=O)C1 1094701443 PPROERBYCTXTKU-CYBMUJFWSA-N 314.389 -0.018 30 20 DBED Cc1cc(C#N)nc(N[C@@H]2CCN(C(=O)[C@H](C)NC(N)=O)C2)n1 1095028184 ADQKUZSMFAGKPP-VHSXEESVSA-N 317.353 -0.274 30 20 DBED C[C@@H](CC(N)=O)C(=O)N1CC[C@@H](N(C)c2cncc(C#N)n2)C1 1095151597 MATUPVFBFAIOSN-CMPLNLGQSA-N 316.365 -0.103 30 20 DBED CN(CCCNC(=O)CCn1ccnn1)c1ccnc(C#N)n1 1095535258 FERIQQCXAZNMDI-UHFFFAOYSA-N 314.353 -0.027 30 20 DBED Cc1nc(N2CC[C@@H](NC(=O)CNC(N)=O)C2)ccc1C#N 1096321853 BKOFGEIKTIDPEE-LLVKDONJSA-N 302.338 -0.375 30 20 DBED CC(=O)NCC(=O)NC[C@@H]1CCCCN1c1cncc(C#N)n1 1097385857 QLGYSLWBOXUTIZ-ZDUSSCGKSA-N 316.365 -0.041 30 20 DBED CC(C)C(=O)N(C)CC(=O)N1CCC(N(CC#N)CCO)CC1 1098384422 VCMTYLUZFUPUHA-UHFFFAOYSA-N 324.425 -0.090 30 20 DBED C[C@H](CCNC(=O)C1CS(=O)(=O)C1)Nc1cnc(C#N)cn1 1099522234 QNEMGQHZWOWZOS-SECBINFHSA-N 323.378 -0.300 30 20 DBED Cc1nn[nH]c1C(=O)NCC[C@@H](C)N=c1cc[nH]c(C#N)n1 1099626501 ZCMJMXNASKNMOK-MRVPVSSYSA-N 300.326 -0.183 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)c2cc[n+]([O-])cc2)[C@@H](O)C1 1099639743 OLLVFTPAJIELEL-GJZGRUSLSA-N 321.377 -0.312 30 20 DBED C[C@@H](CCNC(=O)[C@H]1CNC(=O)N1)Nc1ncccc1C#N 1099683242 YPMZKBHTCUTGOJ-GXSJLCMTSA-N 302.338 -0.059 30 20 DBED CNC(=O)NCC(=O)NCC[C@H](C)Nc1cnc(C#N)cn1 1099748261 SWMLKLYLMBNOIC-VIFPVBQESA-N 305.342 -0.416 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2n[nH]c(C)c2C)[C@@H](O)C1 1099753872 BMPBHHVBIHVBJJ-KBPBESRZSA-N 320.393 -0.159 30 20 DBED CN(CCNC(=O)[C@@H]1COCCN1C)c1cncc(C#N)n1 1100027971 ACRVEOSFGTUHHH-LBPRGKRZSA-N 304.354 -0.769 30 20 DBED N#CCN1CC[C@H](NC(=O)CCC(=O)NC2CCCC2)[C@H](O)C1 1100046155 HHIFRFMYSVUERQ-UONOGXRCSA-N 322.409 -0.100 30 20 DBED C=CCN1CC[C@@H](NC(=O)COCc2nc(CC)no2)[C@H](O)C1 1100072047 ODZNUNNHCKUGTA-VXGBXAGGSA-N 324.381 -0.114 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)C(=O)C(C)(C)C)C1 1100195118 FBACVFDVMQVGNO-UHFFFAOYSA-N 307.394 -0.165 30 20 DBED C#CCNC1CC(CNC(=O)CNC(=O)C2CCOCC2)C1 1100765967 JVSSVALLCMMUJP-UHFFFAOYSA-N 307.394 -0.353 30 20 DBED C[C@H](NC(N)=O)C(=O)NCCN(c1nccnc1C#N)C1CC1 1101327314 OPANCYXRHHQWNH-VIFPVBQESA-N 317.353 -0.510 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)CC(=O)NC)c3nccn32)C1 1101623253 AMDYPQKEQLKAMU-LLVKDONJSA-N 301.350 -0.776 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)[C@@H]2CCCO2)C1 1101698471 HVWCQLKWYSLGMT-MCIONIFRSA-N 307.394 -0.401 30 20 DBED C[C@H](CC(N)=O)C(=O)N(C)[C@@H]1CCN(c2cnc(C#N)cn2)C1 1102752123 CHGMKTUXJXTINA-ZYHUDNBSSA-N 316.365 -0.103 30 20 DBED CC[C@@H](CNC(=O)C[C@H]1CCC(=O)N1)N=c1cc[nH]c(C#N)n1 1103125906 SNOPVUJDXIDPGB-WDEREUQCSA-N 316.365 -0.254 30 20 DBED CC(C)[C@H](CNC(=O)Cn1cnnn1)Nc1cnc(C#N)cn1 1105106243 PBNJCIVZZMFQEL-NSHDSACASA-N 315.341 -0.412 30 20 DBED CN1CCC[C@H]1C(=O)N1CC(n2cc(CNCC#N)nn2)C1 1105192430 QFTDJCGVJNDMDA-ZDUSSCGKSA-N 303.370 -0.631 30 20 DBED Cc1cc(=NC[C@@H](O)CNC(=O)[C@H]2CCCOC2)c(C#N)c[nH]1 1105742781 UJZQKUYTRLQZPH-GXTWGEPZSA-N 318.377 -0.001 30 20 DBED N#Cc1nc(=NC[C@H](O)CNC(=O)c2ncccc2F)cc[nH]1 1105937512 NYTNUFWFHNJODX-VIFPVBQESA-N 316.296 -0.493 30 20 DBED Cc1ccn(CC(=O)NC[C@H](O)CNc2ccc(C#N)nn2)n1 1106109919 ALBYBYYRUIRFOT-GFCCVEGCSA-N 315.337 -0.558 30 20 DBED CCC(=O)N[C@H](C)C(=O)NC[C@@H](O)CNc1ccc(C#N)cn1 1106140281 IEFHYVMMNWHLIC-PWSUYJOCSA-N 319.365 -0.243 30 20 DBED CC(=O)N1CCOC[C@H]1C(=O)N1C[C@@H](C)[C@H](CNCC#N)C1 1107002777 PTRKMXRGCCKAED-BNOWGMLFSA-N 308.382 -0.559 30 20 DBED C#CCN1CC(n2cc(CNC(=O)C[C@H]3COC(=O)C3)nn2)C1 1107157607 WDABWWVGMNCKEL-LLVKDONJSA-N 317.349 -0.663 30 20 DBED C#CCCN1CC(n2cc(CNC(=O)CN3CCCC3)nn2)C1 1107235233 DWZWGWLTXKNLOG-UHFFFAOYSA-N 316.409 -0.130 30 20 DBED CCC(=O)N[C@H](C)C(=O)N[C@H](C)CN=c1cc[nH]c(C#N)n1 1108157688 BIWCPLSDIWHOJY-NXEZZACHSA-N 304.354 -0.399 30 20 DBED CCc1nc(C#N)cc(NC[C@H](C)NC(=O)[C@H]2C[C@H]2C(N)=O)n1 1108696033 YKNNZWFIAHISAP-GDPRMGEGSA-N 316.365 -0.051 30 20 DBED C[C@@H](CN(C)c1ccnc(C#N)n1)NC(=O)[C@@H]1COCCO1 1108829920 XSSGTUJFBXCWAR-QWRGUYRKSA-N 305.338 -0.295 30 20 DBED C[C@H](CN(C)c1nccnc1C#N)NC(=O)C[C@@H]1CCC(=O)N1 1109005974 BFVINDQEDJASPG-MNOVXSKESA-N 316.365 -0.042 30 20 DBED C[C@H](CN(C)c1ccc(C#N)nn1)NC(=O)C[C@@H]1CCC(=O)N1 1109007499 UBAYRLKZLWAUJN-MNOVXSKESA-N 316.365 -0.042 30 20 DBED CC(=O)NCC(=O)N[C@H]1[C@H]2C[C@H]1N(c1ncc(C#N)cc1F)C2 1109670581 FVACNKMTTCIRQE-SUHUHFCYSA-N 317.324 -0.078 30 20 DBED CCC(=O)NCC(=O)N[C@H]1[C@H]2C[C@H]1N(c1ccnc(C#N)n1)C2 1109703122 ZFALSBANRKRIPL-WMFXKJRFSA-N 314.349 -0.432 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1ccnnc1 1109755929 DBDGRJCRGDNQQM-RDBSUJKOSA-N 313.361 -0.439 30 20 DBED C[C@@]1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCC#N)CCOC1 1109882791 PZKLUOBUKSGEHQ-LMOYCYGVSA-N 320.393 -0.226 30 20 DBED CC(C)(C)C(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1110407225 ZFXUBKQFHYSROS-UTUOFQBUSA-N 320.393 -0.037 30 20 DBED CO[C@@H](C)C(=O)NC[C@]1(O)CCN(c2nccnc2C#N)C1 1111027027 ZCTULCVCXWUNRH-IINYFYTJSA-N 305.338 -0.559 30 20 DBED C#CCOCCC(=O)NC[C@@]1(O)CCN(c2nccnc2F)C1 1111099057 ZTLQTHLJHYIJDT-HNNXBMFYSA-N 322.340 -0.287 30 20 DBED Cn1cncc1C(=O)N(CCO)CCN=c1cc[nH]cc1C#N 1111525935 WTDMGPHYTMCMOQ-UHFFFAOYSA-N 314.349 -0.345 30 20 DBED COC[C@H](C)C(=O)NC[C@H]1COCCN1c1cnc(C#N)cn1 1111665650 MHTVQSBKHCGDOI-AAEUAGOBSA-N 319.365 -0.048 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(c2nccn3nnnc23)C[C@H]1O 1112714515 FLYBVBYZQZOSLQ-GHMZBOCLSA-N 317.353 -0.601 30 20 DBED CCCCNC(=O)NC(=O)CN1CCN(C(=O)[C@H](C)C#N)CC1 1112718678 POJQABOJUVHIMA-GFCCVEGCSA-N 323.397 -0.084 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)[C@@H](C)N=c1cc[nH]cc1C#N 1112979278 UXGZXYADWFPKOR-VXGBXAGGSA-N 313.361 -0.180 30 20 DBED C[C@H](Nc1nccnc1C#N)[C@@H](C)NC(=O)Cn1nccn1 1113173991 WYJXZZXUENCTFE-ZJUUUORDSA-N 300.326 -0.055 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)c3ccnn3C)[C@H]2C1 1113990120 JLMDBVNGNFNBKU-SRVKXCTJSA-N 317.393 -0.229 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)C[C@@H]3CCOC3)[C@@H]2C1 1114084643 CNHRWAYZAYMXGB-YNEHKIRRSA-N 305.378 -0.791 30 20 DBED CN(CCOCCNC(=O)c1cc[nH]n1)c1cncc(C#N)n1 1115171535 YELFVMUBGIWTFA-UHFFFAOYSA-N 315.337 -0.046 30 20 DBED O=C1C=CC=N/C1=C(/O)NCCNS(=O)(=O)CCCF 1116177878 WWTGQWNJJZDPMR-ZHACJKMWSA-N 305.331 -0.208 30 20 DBED O=C(CNC[C@@H]1CCCO1)NCCN/C(O)=C1\N=CC=CC1=O 1118134834 ZJJPRQGTZDDLFE-AKCBPTIMSA-N 322.365 -0.602 30 20 DBED C[C@H](C(=O)NC[C@H](CO)N=c1cc[nH]cc1C#N)n1cncn1 1121346680 SILOOXKLBHIHFX-ZYHUDNBSSA-N 315.337 -0.883 30 20 DBED CN1CC[C@@H](CC(=O)NC[C@H](CO)Nc2cnc(C#N)cn2)C1 1121807835 YXHXMDNLVIFYQG-WCQYABFASA-N 318.381 -0.421 30 20 DBED Cc1ccc(C#N)c(N[C@H](CO)CNC(=O)[C@H](C)CC(N)=O)n1 1122358264 YJSLYJJJXKMXKN-SKDRFNHKSA-N 319.365 -0.338 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)C1CCOCC1 1122496855 DGJBWHQUKXDLTA-UHFFFAOYSA-N 312.370 -0.869 30 20 DBED C[C@H]1[C@@H](NC(=O)CNC(N)=O)CCCN1c1ccc(C#N)nn1 1123515551 XWBMVYMWYAYMEW-ONGXEEELSA-N 317.353 -0.510 30 20 DBED CC1(C)CN(C(=O)CNC(N)=O)C[C@H]1Nc1ccc(C#N)nn1 1123902607 WFEVJVKQBYBKHV-SNVBAGLBSA-N 317.353 -0.335 30 20 DBED CC(C)C#CC(=O)N(C)C[C@H](O)CNc1ccc2nnnn2n1 1124278808 OTAMEYSSEBHYMK-LLVKDONJSA-N 317.353 -0.590 30 20 DBED CN(C[C@H](O)CNc1ncccc1C#N)C(=O)CCNC(N)=O 1124369864 KJSVTOOOBYJPSC-LLVKDONJSA-N 320.353 -0.757 30 20 DBED CC[C@@H](C(=O)N(C)C[C@@H](O)CN=c1cc[nH]cc1C#N)N(C)C 1124456710 YWZJAGOCVHCQMT-ZFWWWQNUSA-N 319.409 -0.053 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)CO[C@H]2CCOC2)C1=O 1127143114 YXLLZOWLVWYERP-STQMWFEESA-N 311.382 -0.715 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)c1ccnn1CCOC 1130066273 QQZJXVXEDDARLU-GFCCVEGCSA-N 323.397 -0.460 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)COCc1cc(C)no1 1130120597 ILMFXAMDJQBJSY-LBPRGKRZSA-N 322.365 -0.657 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)C[C@@H](C)NCc1cnn(C)c1 1134131139 RFZDNILGAOKGAG-OLZOCXBDSA-N 319.409 -0.068 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@H]1CCc2nc[nH]c2C1 1146979969 LGRZEHXQDHHENN-NSHDSACASA-N 305.382 -0.477 30 20 DBED CCO[C@@H](C)C(=O)N1CC2(CCN(CC(=O)NCC#N)C2)C1 1147056283 DTYUPFHKZRAVIH-LBPRGKRZSA-N 308.382 -0.415 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)CN1CCCC1)C2 1148755253 RGVRLOHBSTZNET-UHFFFAOYSA-N 318.421 -0.634 30 20 DBED COCCC1(NC(=O)Cn2cnnn2)CCN(CC#N)CC1 1150924379 DFOJRVYWWUEJCO-UHFFFAOYSA-N 307.358 -0.816 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)COC[C@@H]1CCCO1 1153684034 FIXNUEHLFVOUSM-OLZOCXBDSA-N 313.398 -0.422 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCCN[C@@H]1CCN(C)C1=O 1160209525 OSCMTVXBHPQNIB-KGLIPLIRSA-N 306.410 -0.589 30 20 DBED C#CCCNCC1(CCNC(=O)CCS(=O)(=O)NC)CC1 1164513301 AMUBOYLZCYRZMM-UHFFFAOYSA-N 315.439 -0.175 30 20 DBED CCc1noc(COCC(=O)NCCCNCC#CCOC)n1 1170710768 PHUULZCJYWLCIY-UHFFFAOYSA-N 324.381 -0.106 30 20 DBED COCC#CCNCCCNC(=O)[C@@H]1CCCCN1C(N)=O 1170770247 BHDGDKOKOPSDKL-ZDUSSCGKSA-N 310.398 -0.335 30 20 DBED C[C@@H](CCCCNCC(=O)NCC#N)NC(=O)Cc1nc[nH]n1 1176095065 CFGYUGZCXPMMOZ-NSHDSACASA-N 321.385 -0.748 30 20 DBED C=CCNC(=O)NC(=O)CNCCCNC(=O)c1nonc1C 1177443920 UABYMLXVQYVLSC-UHFFFAOYSA-N 324.341 -0.901 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)[C@H](C)n2cncn2)[C@H]1C 1178513045 XYBKTDBOPPRLOU-AVGNSLFASA-N 320.397 -0.280 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)c2ncccc2O)C1 1182156970 UBSKQKDWSUZKGT-LLVKDONJSA-N 304.350 -0.107 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CN3CCC2CC3)C1 1182615708 NBXBQNMSPDHSKU-CABCVRRESA-N 320.437 -0.179 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2cnnc(O)c2)C1 1183465150 DSLXJYPDRJRWSK-ZYHUDNBSSA-N 319.365 -0.323 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2ccc(OC)o2)C1 1186544738 BFGSPXGZFWRMKM-LLVKDONJSA-N 305.334 -0.158 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)CNC(=O)C2CCC2)C1 1188099946 OQOKFHLRKGCZCF-CYBMUJFWSA-N 322.409 -0.605 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3cncn3C)[C@@H]2C1 1188464620 XKWNFFJYUWFRLQ-GXTWGEPZSA-N 315.377 -0.684 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2cccc(O)n2)C1 1189527540 OMDDGBUNCFNNIG-GFCCVEGCSA-N 316.361 -0.317 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(CC(=O)N2CCCC2)C[C@H]1O 1192752195 VMMQMLKVUBAKPC-ZIAGYGMSSA-N 307.394 -0.571 30 20 DBED N#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C[C@H]2C=CCCC2)C1 1194032666 SHEUJVPHPRJVIY-BFHYXJOUSA-N 320.393 -0.466 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)Cc2cc(C)nn2C)C1 1194643849 AQWWMKKXXLLCDL-HUUCEWRRSA-N 322.409 -0.365 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCCN(C(=O)CN(C)C(C)=O)CC1 1194905629 UDOZGEOPPIBECI-CYBMUJFWSA-N 322.409 -0.863 30 20 DBED CC#CCN1CCCN(C(=O)CNS(=O)(=O)CC)CC1 1196040541 KKMOKQPGZTXCFF-UHFFFAOYSA-N 301.412 -0.517 30 20 DBED C=CCC(C)(C)C(=O)N[C@@H]1CN(Cc2nc(O)n[nH]2)C[C@H]1O 1196475447 VYKNOLVUUSCKNG-NXEZZACHSA-N 309.370 -0.226 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)C(C)(C)NC(=O)NCC)C1 1196609384 ZOJPGAUSSLUCCQ-VXGBXAGGSA-N 310.398 -0.731 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCCN(C(=O)[C@@H]2[C@H]3COC[C@H]32)CC1 1196831108 ONHPNXAETVCSDE-KBXIAJHMSA-N 319.405 -0.449 30 20 DBED C#CCNC[C@H]1CN(C(=O)c2cc(=O)n(C)cn2)CCCO1 1200713849 PYADTFNMMADZSF-LBPRGKRZSA-N 304.350 -0.766 30 20 DBED C#Cc1ccc(C(=O)N2CCCO[C@@H](CNCCO)C2)cn1 1201892596 ZHHOTJGPEQRMHH-HNNXBMFYSA-N 303.362 -0.124 30 20 DBED C[C@@H]1CCCN1CC(=O)N1CCC(NCC(=O)NCC#N)CC1 1202495542 GFATXCHETRWLLK-CYBMUJFWSA-N 321.425 -0.309 30 20 DBED C=CCN1CC[C@H](N2C[C@@H](NC(=O)CNC(C)=O)[C@H](C)C2)C1=O 1205766505 POLWGALRKJTIGV-BNOWGMLFSA-N 322.409 -0.654 30 20 DBED C[C@H](NS(C)(=O)=O)C(=O)N1CCC(CNCC#N)CC1 1206411816 VAJHYJTWQKEHAM-JTQLQIEISA-N 302.400 -0.724 30 20 DBED C#CCOCCC(=O)N1CCC[C@@H](NCC(=O)NCC#N)C1 1208031755 DHLHHVIYUVFZJZ-CYBMUJFWSA-N 306.366 -0.753 30 20 DBED CCCN(C)CC(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1210514509 VCVMPOAGBUQWSB-CHWSQXEVSA-N 309.414 -0.596 30 20 DBED C=C(Cl)CN1C[C@@H](NC(=O)[C@H](C)S(C)(=O)=O)[C@H](OC)C1 1212467147 STSOBCYPPCNQOS-HBNTYKKESA-N 324.830 -0.013 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)[C@@H](C)OCC=C)[C@H](OC)C1 1213961786 QYHJWYVJTDWCOZ-MGPQQGTHSA-N 323.393 -0.858 30 20 DBED C[C@@H]1CN(C(=O)[C@]2(F)CCOC2)C[C@H]1NCC(=O)NCC#N 1215393051 MHGTWRLQXFANOC-GYSYKLTISA-N 312.345 -0.809 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)Cc2ccon2)C1 1219403191 ULHSVISSEGRMNZ-RTXFEEFZSA-N 322.365 -0.931 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2oc(C)nc2C)C1 1219414084 RRHAGXXVXREJFH-NEPJUHHUSA-N 322.365 -0.631 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(C[C@H]2CCc3ncnn32)C[C@@H]1O 1219587322 AMYLHJNTNFAYRO-MCIONIFRSA-N 317.393 -0.414 30 20 DBED COCC#CCN1CCC(NC(=O)[C@H]2COCCN2C)CC1 1226907202 VHUPUHVAQLXITH-OAHLLOKOSA-N 309.410 -0.453 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)CN(C)C2CCC2)CC1 1227832721 MPWZUWQLTWQGKZ-UHFFFAOYSA-N 320.437 -0.199 30 20 DBED COCC1(C(=O)NC2CCN(CC(=O)NCC#N)CC2)CC1 1228285124 IXXSLUYKKIFVSP-UHFFFAOYSA-N 308.382 -0.367 30 20 DBED COCC#CCN[C@@H]1CCCC[C@H]1NC(=O)C1(C(N)=O)CC1 1228312551 KTHPDCWSEBBMDU-CHWSQXEVSA-N 307.394 -0.081 30 20 DBED COCC#CCN1CCC(NC(=O)[C@@H]2CC[C@@H]2C(N)=O)CC1 1228589655 XDGDDNRUBNCAEC-UONOGXRCSA-N 307.394 -0.272 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)CN2CCCC2)CC1 1230267700 GHZKMEUXXJIIGK-UHFFFAOYSA-N 308.426 -0.035 30 20 DBED C#CCN1CCS(=O)(=O)[C@@H](CCNC(=O)c2cc[nH]n2)C1 1230422148 HJZXORLHSQRSEH-NSHDSACASA-N 310.379 -0.738 30 20 DBED C=CCNC(=O)[C@@H](C)N(C)CCCNC(=O)[C@@H]1COCCO1 1234245080 ZJASRBWTXCOGQA-OLZOCXBDSA-N 313.398 -0.469 30 20 DBED C[C@@H](C(=O)NCCCN(C)CC(=O)NCC#N)n1cccn1 1234261732 OMSARGUKQCCHRK-LBPRGKRZSA-N 306.370 -0.478 30 20 DBED N#Cc1ncn(CCNC(=O)c2cnc3sccn3c2=O)n1 1258091587 YNAMSHFQCPMLIX-UHFFFAOYSA-N 315.318 -0.351 30 20 DBED CN(CCCN)C(=O)C(=O)N1CC(Oc2ccc(C#N)cc2)C1 1261644445 BMYZCRHYSVQVSX-UHFFFAOYSA-N 316.361 -0.045 30 20 DBED CCc1oncc1C(=O)N[C@@H]1CCN(CC(=O)NCC#N)C1 1269172763 WDHJDMPVOJABBF-SNVBAGLBSA-N 305.338 -0.319 30 20 DBED N#CCCNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)cc1 1320922634 OAUZAKJCEMWKJT-UHFFFAOYSA-N 315.333 -0.409 30 20 DBED N#CCN1CCC(NC(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)CC1 1323834382 DKAYHFDTTWLPBI-RYUDHWBXSA-N 309.370 -0.694 30 20 DBED CN(C)CCCN(CCC#N)C(=O)C(=O)Nc1cnnn1C 1324171367 POHMRHPZKOEXOK-UHFFFAOYSA-N 307.358 -0.552 30 20 DBED C=CCn1cc(CNC(=O)C(=O)NCCC(=O)OC(C)C)nn1 1325959395 BJULEXARQGQTRO-UHFFFAOYSA-N 323.353 -0.462 30 20 DBED C#C[C@H](NC(=O)C(=O)NC[C@@H](C)CC(=O)OCC)[C@H]1CCCO1 1327383748 SEMZGEGFSNZUHW-RWMBFGLXSA-N 324.377 -0.011 30 20 DBED N#CC[C@@H]1CCCN(C(=O)C(=O)NCC(=O)N2CCOCC2)C1 1328036944 JDLUVMFCVWONOO-LBPRGKRZSA-N 322.365 -0.886 30 20 DBED CC(C)(C)NC(=O)CCNC(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1329332723 OLRBVPZTPNAIEW-HNNXBMFYSA-N 324.381 -0.716 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)NCC1CC=CC1 1333011387 IHOYRDBWUOOSGN-UHFFFAOYSA-N 300.380 -0.214 30 20 DBED C#C[C@H](NC(=O)C(=O)NCCOCCOCC)[C@H]1CCCO1 1333512564 CLYODISRJQNRGM-QWHCGFSZSA-N 312.366 -0.547 30 20 DBED C=CCSCCNC(=O)C(=O)N[C@@H]1CCS(=O)(=O)C1 1334822564 VMCSFDHKVQZOQE-SECBINFHSA-N 306.409 -0.675 30 20 DBED C#CCSCCn1nnnc1N1C[C@H]2C(=O)N(C)C(=O)[C@H]2C1 1335471273 ZSKPQQKRQABDEK-AOOOYVTPSA-N 320.378 -0.910 30 20 DBED CN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCc1nnn(C)n1 1342410775 MOEMFJTZAQUEHM-UHFFFAOYSA-N 313.321 -0.643 30 20 DBED C[C@@H](C#N)CN(C)c1nnc(CC[C@@]2(C)NC(=O)NC2=O)n1C 1345197692 LOUSJEGUCARRSK-LKFCYVNXSA-N 319.369 -0.058 30 20 DBED CS(=O)(=O)C[C@H]1CCCN(C(=O)Cn2cnc(C#N)n2)C1 1362657398 CHAPWMRCHCPPKF-JTQLQIEISA-N 311.367 -0.567 30 20 DBED N#Cc1cn(CC(=O)N[C@H]2CCC[C@H]2CCO)c(=O)nc1O 1362711023 PSJNPFGDGGBTPU-ONGXEEELSA-N 306.322 -0.512 30 20 DBED N#Cc1cn(CCNC(=O)C[C@H]2CCCCO2)c(=O)nc1O 1363130310 VXWDKABFHVIWSQ-LLVKDONJSA-N 306.322 -0.104 30 20 DBED N#Cc1ncn(CC(=O)N2C[C@@H](C(N)=O)[C@H](c3ccccc3)C2)n1 1363352881 ZFWBPWIESJYBHM-QWHCGFSZSA-N 324.344 -0.123 30 20 DBED N#Cc1cn(CCNC(=O)Cc2ncccc2F)c(=O)nc1O 1363485335 YTUWHPMRWIYVAW-UHFFFAOYSA-N 317.280 -0.286 30 20 DBED Cn1cc(C(=O)NC[C@@H](O)CNCc2cccc(C#N)c2)nn1 1367586020 PXUGMXNEGVZFRC-ZDUSSCGKSA-N 314.349 -0.433 30 20 DBED C[C@@H](C#N)C(=O)NC1(C)CCN([C@@H](C)C(=O)NC(N)=O)CC1 1368111850 JCTDJNXIUIYWOX-UWVGGRQHSA-N 309.370 -0.300 30 20 DBED C=C(Br)CN1CC(CNC(=O)Cn2cnnn2)C1 1373496926 NWLXXHUURIVNFA-UHFFFAOYSA-N 315.175 -0.370 30 20 DBED C[C@H](C#N)C(=O)N1CCC2(CCN(CC(=O)NC(N)=O)C2)CC1 1373978000 CMHVQZLHZRQZIL-LLVKDONJSA-N 321.381 -0.345 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NCC(=O)Nc2nncs2)CC1 1375405048 SLXCLTITFNDAEN-QMMMGPOBSA-N 308.367 -0.125 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(Cc2noc3c2COCC3)C1 1376144816 WMYVWBZBVZMTTH-SNVBAGLBSA-N 320.349 -0.430 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(NC(=O)CCn2ccnn2)CC1 1385396285 KQAPMUFQFRGVDO-NSHDSACASA-N 304.354 -0.065 30 20 DBED CC(C)[C@H](CNC(=O)c1ccc(=O)n(C)n1)NC(=O)[C@H](C)C#N 1399625677 NUWSNQPTLFJUBK-PWSUYJOCSA-N 319.365 -0.189 30 20 DBED N#Cc1cn(CC(=O)N[C@@H]2CCN(CC3CC3)C2)c(=O)nc1O 1412546303 SUINVWMRSUTWQG-GFCCVEGCSA-N 317.349 -0.579 30 20 DBED Cn1nccc1[C@@H]1CN(c2[nH]c(=O)n(C)c(=O)c2C#N)CCO1 1412923817 UHWXLDXZNGQLPK-NSHDSACASA-N 316.321 -0.743 30 20 DBED Cc1[nH]c2ccnn2c(=O)c1CC(=O)N1CC[C@@](O)(CC#N)C1 1413182610 QKANUKVIPTZMPN-HNNXBMFYSA-N 315.333 -0.249 30 20 DBED N#Cc1cc(F)ccc1CS(=O)(=O)NCc1nc(=O)o[nH]1 1414277063 WMHYEEPYYDFTEW-UHFFFAOYSA-N 312.282 -0.007 30 20 DBED CN(CCNC(=O)[C@H]1CCC(=O)N1C)C(=O)c1c[nH]c(C#N)c1 1415586847 XGUNAMZAXGBASW-GFCCVEGCSA-N 317.349 -0.305 30 20 DBED N#Cc1ccccc1CN1CC(NC(=O)CCNC(N)=O)C1 1421098798 ANSGPMVXKAMXEJ-UHFFFAOYSA-N 301.350 -0.083 30 20 DBED C[C@H](C#N)C(=O)NCCN(C)C(=O)C1CCN(C(N)=O)CC1 1431480595 NECLKSRFTXGUNJ-SNVBAGLBSA-N 309.370 -0.489 30 20 DBED CC(C)(O)CC(=O)NC[C@H](O)CNC(=O)c1cc(C#N)c[nH]1 1433273651 MPZNVRGWGHZQLK-JTQLQIEISA-N 308.338 -0.746 30 20 DBED N#Cc1cn(CCNC(=O)c2cn(C3CC3)nn2)c(=O)nc1O 1434207358 LSBMLOHELIURRN-UHFFFAOYSA-N 315.293 -0.823 30 20 DBED C[C@@H](C#N)C(=O)NC1CN(C(=O)[C@@H](NC(N)=O)C(C)(C)C)C1 1450501242 WDBHEKRAJZNUBD-WCBMZHEXSA-N 309.370 -0.444 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](C1CC1)N(C)C(=O)CN1CCOCC1 1450811622 IMEJAEBLLZLHSO-TZMCWYRMSA-N 322.409 -0.169 30 20 DBED C=CCNC(=O)CN1CCC[C@@H](NC(=O)[C@H](COC)OC)C1 1479910024 CBWZTLASPIRLOD-OLZOCXBDSA-N 313.398 -0.469 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCNS(C)(=O)=O)C1CC1 1481161905 AXCKFKKTVLNQQD-JTQLQIEISA-N 302.400 -0.724 30 20 DBED C#CCNC(=O)CN(C)[C@H](C)CNC(=O)CCCc1cnn[nH]1 1575005281 ZJOVLPMOIIHVIC-GFCCVEGCSA-N 320.397 -0.687 30 20 DBED C[C@H]1COCCN1CCNc1cnc(C#N)c(-c2nn[nH]n2)n1 1576377637 KCTBXWJUGJSCQW-VIFPVBQESA-N 315.341 -0.339 30 20 DBED C#CC[C@H]1CCN(c2[nH]c(=O)n(C)c(=O)c2-c2nn[nH]n2)C1 1588336738 FDVSWYWFTITPRB-QMMMGPOBSA-N 301.310 -0.897 30 20 DBED C#C[C@H](NC(=O)C(=O)NC[C@H](CC(=O)O)C1CC1)[C@@H]1CCCO1 1588370868 PHFUQBQTXIQNPT-AVGNSLFASA-N 322.361 -0.100 30 20 DBED C#CCN1CCN(C(=O)Cn2cccc(C(=O)O)c2=O)CC1 1588477321 NUJXNTVDUUHRGG-UHFFFAOYSA-N 303.318 -0.676 30 20 DBED C#CCOCCC(=O)NC[C@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]2C(=O)O)C1 1588489585 FRCOGIMNDVIPCD-LPWJVIDDSA-N 322.361 -0.242 30 20 DBED C[C@H](CS(C)(=O)=O)Nc1cnc(C#N)c(-c2nn[nH]n2)n1 1589888210 IOAHJRHKURBYNP-ZCFIWIBFSA-N 308.327 -0.627 30 20 DBED N#CCN1CCC[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1592678380 WNQUXPFUZOHKOX-SNVBAGLBSA-N 300.326 -0.087 30 20 DBED O=S(=O)(O[C@H]1CNOC1)c1ccc(F)cc1-c1nn[nH]n1 1593446866 FGRQXWHXTYSTGI-ZETCQYMHSA-N 315.286 -0.386 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H]1CCO[C@H]1C(=O)O 1605419083 PRNYXOQHSKDLSD-KXUCPTDWSA-N 305.356 -0.456 30 20 DBED Cc1[nH]nc(S(=O)(=O)N=c2cc[nH]cc2C#N)c1C(=O)O 1607937760 FNKPOCWSLWNXCS-UHFFFAOYSA-N 307.291 -0.094 30 20 DBED CCN(C[C@@H](C)C#N)C(=O)Cn1cnc(C#N)c1-c1nn[nH]n1 1609221506 FNRJKDBGQUQIJL-VIFPVBQESA-N 313.325 -0.057 30 20 DBED C=CCCn1cc(C(=O)N2CCN(C)C[C@@H](C(=O)O)C2)nn1 1609345881 LSGQHWGEDUGJPY-LLVKDONJSA-N 307.354 -0.057 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2ccnc(OC)c2)C1 1690668422 MVGKSBWLQWGQKP-ZDUSSCGKSA-N 316.361 -0.356 30 20 DBED CN1CCCC[C@H]1C(=O)NC[C@H]1CCN(CC(=O)NCC#N)C1 1691145980 KXJCKXOQQNUZCE-KGLIPLIRSA-N 321.425 -0.451 30 20 DBED CN(CC(=O)NCC#N)[C@@H]1CCCN(C(=O)COCC2CC2)C1 1752987997 XOVKSECKDHBWLG-CQSZACIVSA-N 322.409 -0.024 30 20 DBED C[C@H]1C[C@@H](C(=O)NCCN(CC(=O)NCC#N)C2CC2)CO1 1753155852 RYXOGMOLKMBYEK-NWDGAFQWSA-N 308.382 -0.368 30 20 DBED N#CCNC(=O)CN1[C@H]2CC[C@H]1CN(C(=O)COCC1CC1)C2 1753304752 BFVIFWBILSOQOL-KBPBESRZSA-N 320.393 -0.272 30 20 DBED C#CCN(C)C[C@H]1CCN(C(=O)CCNS(C)(=O)=O)C1 1753351253 CXJCMHLXHGWTLD-GFCCVEGCSA-N 301.412 -0.661 30 20 DBED C=C[C@](C)(O)CC(=O)N(C)CCN(C)CCN1CCNC1=O 1753851564 JCEVTZPKEPKKAM-HNNXBMFYSA-N 312.414 -0.271 30 20 DBED N#CCNC/C=C\CNC(=O)[C@@H]1COCCN1CC(F)F 1754153720 LSGXZTXONWARII-BVBSBALXSA-N 302.325 -0.262 30 20 DBED COCC#CCN1CC[C@@H]1CNC(=O)C(C)(C)CNC(C)=O 1754497140 JOPGFRSCFFGFLE-CQSZACIVSA-N 309.410 -0.011 30 20 DBED C#CCNC(=O)CN1CC(N(C)C(=O)COC2CCCC2)C1 1754571167 QJNCYIQUKKJPDC-UHFFFAOYSA-N 307.394 -0.162 30 20 DBED CC#CCNCCN(CCO)C(=O)c1cn2cccnc2n1 1754886603 XLOQLCKFXSZXHM-UHFFFAOYSA-N 301.350 -0.223 30 20 DBED CC(C)(C)[C@@H](NC(N)=O)C(=O)NC[C@H]1COCCN1CC#N 1754975008 SVAXUOYDXTYPDU-QWRGUYRKSA-N 311.386 -0.590 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NCCN2C(=O)CNC2=O)CCC1 1754978699 PEULURYNCHQFNO-JTQLQIEISA-N 307.354 -0.674 30 20 DBED CC(C)NC(=O)CN[C@]1(CO)CCCN(C(=O)C#CC2CC2)C1 1755083840 ZOKYLCBSEREEER-QGZVFWFLSA-N 321.421 -0.133 30 20 DBED C#CCNCC1(NC(=O)[C@H](OC)c2cnn(C)c2)CCOCC1 1755096605 BNYDLTBPPXARDJ-CQSZACIVSA-N 320.393 -0.004 30 20 DBED C=CCn1cc(C(=O)NC[C@@H](C)N(C)CC(=O)NC2CC2)nn1 1755318935 DPXYRSBYBPEHJI-LLVKDONJSA-N 320.397 -0.207 30 20 DBED C=CCNC(=O)CNC[C@H]1C[C@H](NC(=O)CN2CCOCC2)C1 1755469364 MZHKMCRWWVRNSC-HDJSIYSDSA-N 324.425 -0.895 30 20 DBED CC(=O)NCC(=O)NC[C@@H](O)CN(C)C(=O)C#CC(C)(C)C 1756661696 CUCDXGWWXHLZSO-GFCCVEGCSA-N 311.382 -0.893 30 20 DBED CC(=O)NCC(=O)NC[C@H](O)CN(C)C(=O)C#CC(C)(C)C 1756661697 CUCDXGWWXHLZSO-LBPRGKRZSA-N 311.382 -0.893 30 20 DBED C=CCO[C@H](C)C(=O)NC[C@H](O)CN(C)C(=O)c1ccncn1 1756676522 IYMBJXFWCCIIGR-NEPJUHHUSA-N 322.365 -0.383 30 20 DBED CNC(=O)CNC(=S)NN=Cc1ccc(C(=O)O)c(OC)c1 1776042424 NCIHFHMFACBMIS-UHFFFAOYSA-N 324.362 -0.063 30 20 DBED NC(=O)CNC(=S)NN=C1CCCc2ncc(C(=O)O)cc21 1776042440 NYHLLSZQMFBLAY-UHFFFAOYSA-N 321.362 -0.230 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccncn1)CCO2 1783050659 YYURDYZDKLKJFM-HNNXBMFYSA-N 300.318 -0.447 30 20 DBED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCOC3)[C@H]2C1 1791757491 WRXQZYHFOSOVJM-CRWXNKLISA-N 306.362 -0.364 30 20 DBED C=CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COCCO)C2 1801001852 AFTGXIFVKJYGGW-JJLQDPRZSA-N 312.366 -0.839 30 20 DBED C#CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](N)CN)[nH]n1 1821876288 MKCILFXONQOLQM-ONGXEEELSA-N 304.354 -0.679 30 20 DBED CN1N=C(C(=O)N2CC3(CCCN3C(=O)CC#N)C2)CCC1=O 1842622041 XJHHBHSPQZDRKA-UHFFFAOYSA-N 317.349 -0.288 30 20 DBED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)[C@H]2CCC=CO2)C1 1844248011 JACXOKZYDAWANR-GFCCVEGCSA-N 318.329 -0.030 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC(=O)NCCCC)C1=O 7865954 UKGQQOUYBKEMLE-UHFFFAOYSA-N 310.310 -0.411 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H](NC)C2)C1=O 261725855 MBMVNIGWLRDGPH-SNVBAGLBSA-N 308.338 -0.826 30 20 DBED CCOC(=O)N1CCC(N/C(N)=N/CCn2cncn2)CC1 264142255 WWODEJABPOYVIM-UHFFFAOYSA-N 309.374 -0.197 30 20 DBED CN(C[C@H](O)CN1CCOCC1)c1ncc([N+](=O)[O-])cc1C#N 267527697 JBZBTWAKEBXOJZ-ZDUSSCGKSA-N 321.337 -0.009 30 20 DBED C[C@@H](O)C(=O)N1CCN(S(=O)(=O)c2cccc(C#N)c2)CC1 270862884 RONONTBMKKKISX-LLVKDONJSA-N 323.374 -0.228 30 20 DBED COC[C@H](O)CCNC(=O)CNC(=O)c1ccc(C#N)cc1 270872293 UMLYWJHYSLZIFN-CYBMUJFWSA-N 305.334 -0.198 30 20 DBED C#CC[C@@H](NS(=O)(=O)CC1(C(=O)OC)CCC1)C(=O)O 290936217 JVRPFVISTHNDTO-SECBINFHSA-N 303.336 -0.274 30 20 DBED C=CCOCCN1CCN(C(=O)C(=O)N2CCOCC2)CC1 293493504 NFVJTYAADLQHTE-UHFFFAOYSA-N 311.382 -0.808 30 20 DBED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCOCC2)cc1 298240440 MMABVFHDPDOFOK-UHFFFAOYSA-N 309.347 -0.305 30 20 DBED N#Cc1cc(S(=O)(=O)N2C[C@@H](O)[C@H](CO)C2)ccc1F 315962198 ACAXUHWMWBSMFO-JOYOIKCWSA-N 300.311 -0.329 30 20 DBED Cc1nc2n(n1)C[C@H](N/C(O)=N/CCN1C(=O)CCC1=O)CC2 329408175 ZTQGIWGAGNZARJ-SNVBAGLBSA-N 320.353 -0.446 30 20 DBED CN1C[C@H](/N=C(/O)N2CCC[C@H]2CN2CCOCC2)CC1=O 329645595 ISJDVJOEKROGFD-OLZOCXBDSA-N 310.398 -0.072 30 20 DBED C[C@@H](C/N=C(/O)N1CCS(=O)(=O)CC1)CN1CCOCC1 329693846 FHTBVHYMWVNQTG-LBPRGKRZSA-N 319.427 -0.401 30 20 DBED CC(C)N1CC[C@H](N/C(O)=N/C[C@H]2CN(C)CCN2C)C1=O 329694550 CRWVMMXDEWMAQO-STQMWFEESA-N 311.430 -0.255 30 20 DBED C[C@@H]1COCCN1CCNS(=O)(=O)c1ccc(C#N)nc1 331264189 ALTNTNAXWFWDHY-LLVKDONJSA-N 310.379 -0.048 30 20 DBED OC[C@H](NCC#CCN[C@H](CO)[C@H]1CCCO1)[C@H]1CCCO1 342164826 KXOULSHTMNBNAB-QKPAOTATSA-N 312.410 -0.751 30 20 DBED N#CCCN(CCC#N)C(=O)CN1CCN2C(=O)CC[C@@H]2C1 346461492 SGCWGMOULFCEDP-CYBMUJFWSA-N 303.366 -0.051 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccc(O)cc2)C1=O 351478340 CMHXVWPUQOKFJZ-UHFFFAOYSA-N 317.301 -0.015 30 20 DBED C=CC[C@H](CO)CNC(=O)C(=O)Nc1cc(C2CC2)n(C)n1 354323536 GYPYXTUXBPQYHA-JTQLQIEISA-N 306.366 0.537 30 20 DBED COC(=O)c1cn(C2CN(C(=O)c3ccc(C#N)[nH]3)C2)nn1 354687343 CWOWMRKZGFKFIW-UHFFFAOYSA-N 300.278 -0.038 30 20 DBED N#CCNC(=O)CNC(=O)N[C@H](CO)Cc1ccc(F)cc1 358271010 GQPMBLVJZDUSLC-LBPRGKRZSA-N 308.313 -0.332 30 20 DBED N#Cc1ccncc1C(=O)NCC(=O)NCCN1CCOCC1 362774379 PCCMRWKXIOHHPM-UHFFFAOYSA-N 317.349 -0.869 30 20 DBED C=CCCn1cc(C(=O)NCCN2CCN(C(C)=O)CC2)nn1 424590532 ZAFLZXKFVMRDLV-UHFFFAOYSA-N 320.397 -0.252 30 20 DBED C=CCOC[C@@H](NS(=O)(=O)C1(COC)CC1)C(=O)OC 451498892 OAXUPFVVLXPKGC-SNVBAGLBSA-N 307.368 -0.171 30 20 DBED C#CCN(C(=O)NCCCC(=O)O)[C@H]1CCS(=O)(=O)C1 491474842 QJUFNXCWVTZSAF-JTQLQIEISA-N 302.352 -0.317 30 20 DBED CO[C@@H]1CN[C@@H](C(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1 566194087 ZANNANFCABUUGW-UONOGXRCSA-N 315.377 -0.021 30 20 DBED COc1cccc(C[C@H](NC(C)=O)C(=O)NCC#CCO)c1 570654249 XQESTXHUPURFNO-HNNXBMFYSA-N 304.346 -0.146 30 20 DBED CC[C@H](C#N)C(=O)N[C@@H]1CC(=O)N(CCN(C)CCOC)C1 593898778 MAQVUODQSFNAQL-CHWSQXEVSA-N 310.398 -0.169 30 20 DBED CCS(=O)(=O)N[C@@H](C)C(=O)Nc1cc(C)n(CCC#N)n1 597460249 NMUPZISRMKXBMK-JTQLQIEISA-N 313.383 0.372 30 20 DBED C[C@@H](NC(=O)C(=O)NC[C@@H]1COCCN1)c1cccc(C#N)c1 599953401 YMZGCJQGCKHFFR-BXUZGUMPSA-N 316.361 -0.160 30 20 DBED C=CCNC(=O)Cn1cc(Cn2ccc(CNCC)n2)nn1 630610623 OCYINBJFGOZXQR-UHFFFAOYSA-N 303.370 -0.065 30 20 DBED CC#CC[C@@H](CO)NC(=O)C(=O)N=c1ccn(CC(F)F)[nH]1 646952873 MQGMQGYHLDRVFN-VIFPVBQESA-N 314.292 -0.601 30 20 DBED C=CC[C@H]1CCCN(C(=O)C(=O)NCCN2CCNCC2)C1 659710130 NASNDXAQYAIWDI-AWEZNQCLSA-N 308.426 -0.178 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCC[C@@H](N)C(C)C)C1=O 662925084 JZUBIJPZSXAGTM-SNVBAGLBSA-N 310.354 -0.547 30 20 DBED C#CCOc1ccc(NC(=O)C(=O)N[C@@H]2CCN(C)C2=O)cc1 739127969 XAWKBQPFAYPAEB-CYBMUJFWSA-N 315.329 -0.016 30 20 DBED CN(C)C[C@@](C)(O)CNC(=O)NCCNc1ncccc1C#N 752657420 UTJDMDHZASIHEF-HNNXBMFYSA-N 320.397 -0.023 30 20 DBED C#C[C@H](NS(=O)(=O)CCCN1CCOCC1)[C@@H]1CCCO1 773054365 KDVBWNLOAWNKSJ-KBPBESRZSA-N 316.423 -0.191 30 20 DBED C=CCN(CC(=O)OCC)S(=O)(=O)[C@@H](C)C(=O)N(C)C 774875101 HXIRXEXRTLXLDD-JTQLQIEISA-N 306.384 -0.156 30 20 DBED C#CCOCCNC(=O)C(=O)Nc1ccc(C(=O)NC)cc1 785155423 FOUMITKOJBUYLP-UHFFFAOYSA-N 303.318 -0.249 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)[C@@H]1CCC[C@@H](C(N)=O)C1 787825398 QBMYAWUBSPTOOG-NXEZZACHSA-N 311.338 -0.167 30 20 DBED C=CCNC(=O)COC(=O)c1ccc(S(N)(=O)=O)c(N)c1 803702936 HMBHSOGPWAPQSX-UHFFFAOYSA-N 313.335 -0.625 30 20 DBED Cc1cc(C#N)cnc1C(=O)OCC(=O)N1CCNC(=O)C1 815340020 KFYPBRPJWCHRFC-UHFFFAOYSA-N 302.290 -0.623 30 20 DBED C=CCS(=O)(=O)CCNS(=O)(=O)CCOCC1CC1 819880136 WGFOKUCBONJBLQ-UHFFFAOYSA-N 311.425 -0.067 30 20 DBED C=C(Br)CNC(=O)CN(C)S(=O)(=O)N(C)C 845302595 WFNHHHVTXYROTI-UHFFFAOYSA-N 314.205 -0.251 30 20 DBED CON(C)S(=O)(=O)CCCS(=O)(=O)NC1(C#N)CC1 848956702 CNAHSCPOZJKJHN-UHFFFAOYSA-N 311.385 -0.825 30 20 DBED N#CC1(NC(=O)COC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CCCCC1 860409964 FJVLZNSDNFIPRD-WDEREUQCSA-N 323.349 -0.095 30 20 DBED C=C(Cl)C[C@H](N)C(=O)N1CCN(CC(=O)NC2CC2)CC1 876712697 TWUHBCFCMXLPRG-LBPRGKRZSA-N 314.817 -0.121 30 20 DBED C#CCN1CCC[C@H](NC(=O)N(CCO)CCOCCO)C1 890361342 OQQNWFKBESMRTH-AWEZNQCLSA-N 313.398 -0.903 30 20 DBED C#CC1(O)CN(C(=O)c2cc(S(=O)(=O)N(C)C)c(C)o2)C1 890524035 YWXHLWGORMQSEM-UHFFFAOYSA-N 312.347 -0.342 30 20 DBED Cc1c(C(=O)NC[C@@H]2CN(C(=O)[C@H](C)C#N)CCO2)cnn1C 944483327 VIIRKZRHTRDLQH-ZYHUDNBSSA-N 319.365 -0.155 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@H]2CNC(=O)[C@H]2CCC(=O)N2)[nH]1 949115478 FBTPEVDSBLOLCQ-WDEREUQCSA-N 315.333 -0.504 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2CCN2C(=O)Cc2nc[nH]n2)cn1 951381482 HWYUVYCGRILSKF-ZDUSSCGKSA-N 324.344 -0.246 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H](NC(=O)c2cnn(C)c2N)C1 951868794 WOGRECHCEOWZIP-VHSXEESVSA-N 304.354 -0.117 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cn3c(n2)COCC3)C1 958180096 YFMWARNKZTVEDZ-WCQYABFASA-N 304.350 -0.931 30 20 DBED CNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)c3cc(C#N)c[nH]3)[C@H]2C1 958504781 IIKDYJCLPAENHP-GOONRYMUSA-N 301.350 -0.319 30 20 DBED C=CCN1C[C@H]2[C@H](NC(=O)[C@@H]3CC(=O)N(c4cn[nH]c4)C3)[C@H]2C1 959877914 UTIFNFZQHZKWAC-PBOSXPJTSA-N 315.377 -0.005 30 20 DBED C#Cc1ccc(C(=O)NC2[C@H]3CN(CC(=O)N4CCC4)C[C@H]23)nc1 962327829 ZXNZYMDTNKSXKZ-KBPBESRZSA-N 324.384 -0.045 30 20 DBED C=CCCN1CC([C@H](C)NC(=O)c2cn(CC(N)=O)nn2)C1 970923182 CKQMYHOGVIHVEH-JTQLQIEISA-N 306.370 -0.610 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H]1[C@@H]2CN(CC(=O)NC)C[C@H]12 978282496 NRZIVIGEGNEBCH-XQLPTFJDSA-N 318.421 -0.876 30 20 DBED CN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CCCN(C(=O)C(N)=O)C1 984584815 MXIWMJQECWDYDC-SNVBAGLBSA-N 303.322 -0.565 30 20 DBED C=C(C)CN[C@H]1C[C@@H](C)N(C(=O)Cn2ccc(=O)n(C)c2=O)C1 988927067 JUEGDHLNJFOUME-OLZOCXBDSA-N 320.393 -0.298 30 20 DBED C[C@H](C#N)C(=O)N1CCC(NCCN2C(=O)CCC2=O)CC1 990314892 QBCRZKYZZCQRRL-LLVKDONJSA-N 306.366 -0.124 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@H](NC(=O)Cn2cncn2)[C@H](O)C1 991803877 MDDPDBDXPPACSX-NWDGAFQWSA-N 321.381 -0.432 30 20 DBED C=C(C)C(C)(C)C(=O)N1CC(NC(=O)CN2CC(=O)NC2=O)C1 997767107 MHVGKILNTFLYER-UHFFFAOYSA-N 322.365 -0.533 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2[C@H]3COC[C@H]32)C1 997931198 SYRCDRIUTPCZGQ-LJISPDSOSA-N 317.389 -0.697 30 20 DBED C[C@H](C#N)C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cc1nc[nH]n1 1000661158 UOFTWQZDJKFMMA-ZNSHCXBVSA-N 302.338 -0.245 30 20 DBED C#Cc1cncc(C(=O)N2CC[C@H](C)[C@@H](NC(=O)C(N)=O)C2)c1 1005224025 NWYHPOPPZGYROH-GWCFXTLKSA-N 314.345 -0.485 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C(N)=O 1005667821 HYIWPULNONQLPL-FHUSYTEZSA-N 321.377 -0.299 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](NC(=O)c2cnn(C)n2)C(C)(C)C1 1008327410 HKKQSBQRPHMIPX-ONGXEEELSA-N 304.354 -0.058 30 20 DBED C#Cc1ccc(C(=O)NC2[C@@H]3CN(C(=O)c4nc[nH]n4)C[C@@H]23)nc1 1013508424 LJMQMPFHRYHAGX-GHMZBOCLSA-N 322.328 -0.319 30 20 DBED N#CCN1CCC2(CC1)C[C@H]2NC(=O)C[C@H]1CC(=O)NC1=O 1017003478 LTPQCZHIXHSCJH-WDEREUQCSA-N 304.350 -0.467 30 20 DBED C#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)c1coc(S(N)(=O)=O)c1 1017672743 PCLDBGWADDRQMM-TXEJJXNPSA-N 323.374 -0.151 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCN(C(=O)[C@H]3CCCNC3=O)C2)C1 1019367195 SBUYGDIHGHBYDJ-NEPJUHHUSA-N 318.377 -0.267 30 20 DBED C=CCN1CC[C@@H](NC[C@@H]2CCCN(C(=O)CC(N)=O)C2)C1=O 1023902610 CVSQSSVGRVJJDV-QWHCGFSZSA-N 322.409 -0.523 30 20 DBED Cc1nocc1C(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1025392092 OKAHUGCUDFJDNK-CHWSQXEVSA-N 303.318 -0.302 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)Cn3ccnc3C)C2)C1=O 1031392178 ZEUNWAXUPKMBKV-CQSZACIVSA-N 317.393 -0.221 30 20 DBED CN(C(=O)[C@@H]1CCc2nnc(O)n2C1)[C@@H]1CCN(CC#N)C1 1033202512 LSOUTNKLSNNJHJ-GHMZBOCLSA-N 304.354 -0.398 30 20 DBED CC[C@@H](C(N)=O)N1CCO[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 1035327593 XDWQORUOAZPOIJ-YPMHNXCESA-N 319.365 -0.419 30 20 DBED C#CCN1CCO[C@H](CNC(=O)[C@@H]2CCc3nn[nH]c3C2)C1 1035571182 BAEJTOHCCKIBPX-VXGBXAGGSA-N 303.366 -0.640 30 20 DBED Cc1cn(C)nc1C(=O)NC[C@]1(O)CCN(C(=O)[C@H](C)C#N)C1 1039694896 MUYMTVCSVOZORL-MEBBXXQBSA-N 319.365 -0.419 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@]1(O)CCN(C(=O)C(F)F)C1 1039722202 SYUIDGNMGHHMAT-TVQRCGJNSA-N 304.293 -0.631 30 20 DBED Cc1nonc1CC(=O)N1CC[C@](O)(CNC(=O)[C@@H](C)C#N)C1 1040759146 FGLDXCDCNRVPPP-XPTSAGLGSA-N 321.337 -0.840 30 20 DBED COc1cc(C(=O)N2CC[C@@](O)(CNC(=O)[C@H](C)C#N)C2)on1 1040764026 SXXTTYRCGIBEFU-YMTOWFKASA-N 322.321 -0.464 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)c2n[nH]cc2F)C1 1040834871 NUIMVZYDZZYQHN-ISVAXAHUSA-N 309.301 -0.598 30 20 DBED Cn1nncc1C(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@H]1O 1041005660 IMNHFUYAEFKKTL-ZWNOBZJWSA-N 313.321 -0.939 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCCCO2)C1 1042564135 CMXSYSPDUFBBNS-LBPRGKRZSA-N 312.366 -0.552 30 20 DBED CN(C)CCC(=O)N1CC(O)(CNC(=O)c2ccc(C#N)[nH]2)C1 1042615680 LMLVSPWNYBTZPT-UHFFFAOYSA-N 319.365 -0.859 30 20 DBED C#CCCCCC(=O)NCC1(O)CN(C(=O)Cn2ccnc2)C1 1042664503 YBHAZNGSZRKPDN-UHFFFAOYSA-N 318.377 -0.234 30 20 DBED CO[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1NC(=O)c1cn[nH]c1 1042757333 DODMTUBLCYTRAA-GHMZBOCLSA-N 313.321 -0.295 30 20 DBED C=C(C)CCC(=O)N1CC(O)(CNC(=O)CCn2ccnn2)C1 1042781588 NALIWAWEZLPAET-UHFFFAOYSA-N 321.381 -0.286 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(O)CN(C(=O)C2=COCCC2)C1 1042806589 IELOYRJXFAHANQ-HNNXBMFYSA-N 324.377 -0.303 30 20 DBED O=C(C#CC1CC1)NCC1(O)CN(C(=O)CCn2ccnc2)C1 1042965041 TZGOYWHTOMRMCG-UHFFFAOYSA-N 316.361 -0.624 30 20 DBED CCc1nc[nH]c1C(=O)NCC1(O)CN(C(=O)[C@H](C)C#N)C1 1044700329 NHKZWLRMCBRWPQ-SECBINFHSA-N 305.338 -0.565 30 20 DBED C#CCN[C@H]1CCN(C(=O)c2cn(C)c(=O)nc2O)[C@H](C)C1 1044860348 IQRDOEKZQXTCTQ-MNOVXSKESA-N 304.350 -0.298 30 20 DBED C=C[C@H](C)[C@H](C)C(=O)NCC1(O)CN(C(=O)c2cnn[nH]2)C1 1044985835 NDYBZKOELNSKEV-UWVGGRQHSA-N 307.354 -0.434 30 20 DBED Cc1cc(C(=O)N2CC(O)(CNC(=O)[C@@H](C)C#N)C2)c(C)nn1 1045551271 GROAISURSGTMRT-VIFPVBQESA-N 317.349 -0.444 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)c2cn3c(n2)CCC3)C1 1045559070 FYQLXLBNIOWMKE-SNVBAGLBSA-N 317.349 -0.708 30 20 DBED C#CCN1[C@H]2CC[C@H]1CN(C(=O)[C@@H]1CCS(=O)(=O)N1)CC2 1045893027 ZVYNUYMBDKWNLP-AVGNSLFASA-N 311.407 -0.623 30 20 DBED CC[C@@H](C(=O)NCC1(O)CN(C(=O)[C@H](C)C#N)C1)N(CC)CC 1046376275 NOMGSLLURHSXCD-OLZOCXBDSA-N 324.425 -0.044 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC(=O)N(CCC)C2)C1 1047545352 RQGBUHWGUNERNE-KKUMJFAQSA-N 321.421 -0.228 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2noc3c2COCC3)C1 1047632872 CEKLCVNFCDNKNH-RYUDHWBXSA-N 305.334 -0.502 30 20 DBED C#CCNC(=O)CC(=O)N(C)[C@H]1CN(C(=O)CCCC)C[C@@H]1O 1048709207 UWLSZCOELABIIG-STQMWFEESA-N 323.393 -0.654 30 20 DBED CN(C(=O)C#CC1CC1)[C@H]1CN(C(=O)Cc2cnoc2)C[C@@H]1O 1048828451 OWEHWGNZLBDRST-KBPBESRZSA-N 317.345 -0.339 30 20 DBED C=CCOCC(=O)N1CC[C@H]([C@H](C)NC(=O)Cn2ncnn2)C1 1050298582 WJRHELOZDQYIAL-RYUDHWBXSA-N 322.369 -0.771 30 20 DBED CC1(C)C[C@@H](NC(=O)C(N)=O)CCN(c2cnc(C#N)cn2)C1 1051378105 ZCQKWAJQQASOAD-JTQLQIEISA-N 316.365 -0.055 30 20 DBED C[C@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1CNC(=O)C#CC1CC1 1052662401 TXWMPPPKTAEVCI-AAEUAGOBSA-N 316.365 -0.703 30 20 DBED C[C@H](C#N)C(=O)N1CCOC2(C1)CN([C@H](C)c1nnnn1C)C2 1053192150 XHNCCTXKQACAJB-GHMZBOCLSA-N 319.369 -0.656 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)[C@@H](C)[C@H]1CCC(=O)N1)CCO2 1053442644 NETOLOLYPWRFCL-UONOGXRCSA-N 319.405 -0.162 30 20 DBED C[C@@H]1CCN(C(=O)C(=O)N2CCOC3(CN(CC#N)C3)C2)C1 1053501868 BHQQIJIETLQYTB-GFCCVEGCSA-N 306.366 -0.708 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2COC3(C2)CN(CC#N)C3)nn1 1053950136 VMXOGGWETCNBFA-NSHDSACASA-N 302.338 -0.439 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)C(=O)N3CC[C@H](C)C3)CO2)C1 1053976990 LWWALYYJIHTCHR-KBPBESRZSA-N 319.405 -0.162 30 20 DBED C[C@H](C#N)C(=O)NCCN(Cc1ccccc1)C(=O)C(N)=O 1055096883 ZJDREUPNGGVZHG-LLVKDONJSA-N 302.334 -0.224 30 20 DBED C=CCO[C@H](C)C(=O)N1C[C@@H]2CN(C(=O)CNC(C)=O)C[C@@H]2C1 1055130523 RDKCKUWHYJACRE-BNOWGMLFSA-N 323.393 -0.370 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)Cc1cncnc1 1057171352 XYJRULXFHPTSDQ-UHFFFAOYSA-N 306.366 -0.078 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)c1cn(C)nc1C 1057193699 OERGZAMAKGYIKG-UHFFFAOYSA-N 324.381 -0.518 30 20 DBED N#Cc1cc(C(=O)N(CCO)CCNC(=O)[C@H]2CCCO2)c[nH]1 1057391938 SOHWUYYRSMDVST-CYBMUJFWSA-N 320.349 -0.384 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H]1CCCN(C(=O)[C@H]2CCNC2=O)C1 1057724511 HXOOIELVMOINMM-OLZOCXBDSA-N 313.361 -0.086 30 20 DBED Cc1nc(O)[nH]c1C(=O)N[C@H]1C[C@H](N=c2cc[nH]c(C#N)n2)C1 1059327308 GDKAMQGQXJVBEU-KYZUINATSA-N 313.321 -0.120 30 20 DBED N#Cc1cncc(N[C@@H]2CC[C@H]3CN(C(=O)C(N)=O)C[C@@H]32)n1 1060554648 ZZDYJGCIIUGXCA-INTQDDNPSA-N 300.322 -0.518 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@H]1COCCN1C(=O)C(F)F 1061541538 AALXYAKITWYUNK-TVQRCGJNSA-N 306.309 -0.078 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@H]1COCCN1C(=O)c1ccon1 1061542090 HXFRQUMTUSHOPO-XHDPSFHLSA-N 323.349 -0.041 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H]1COCCN1C(=O)c1cn[nH]c1 1061585491 XGKLWVSKYYLXRK-DGCLKSJQSA-N 320.349 -0.595 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@H]1CN(C(=O)COC)CCO1 1064755402 ZUPDZPGGESKRDW-FZMZJTMJSA-N 300.355 -0.697 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@H]1CN(C(=O)c2ccon2)CCO1 1064911145 CLSCMVZWAGAKEJ-NHYWBVRUSA-N 323.349 -0.041 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(C(=O)c2cocn2)CCO1 1064969551 FAYKOLQRXPIHHC-GFCCVEGCSA-N 321.333 -0.328 30 20 DBED C=CCOCC(=O)N1CCO[C@H](CNC(=O)c2ccnnc2)C1 1064972193 RHSIOMAEYYWNIX-CYBMUJFWSA-N 320.349 -0.364 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CN(C(=O)c2ccnnc2)CCO1 1065666889 CEVCANCLBJLLMP-ZYHUDNBSSA-N 303.322 -0.407 30 20 DBED C=CCOCC(=O)N1CCC[C@@H](NC(=O)CNC(C)=O)CC1 1065773549 PMHFNFCHDVOYJW-CYBMUJFWSA-N 311.382 -0.178 30 20 DBED Cn1nncc1C(=O)NCC1[C@@H]2CN(c3ccc(C#N)nn3)C[C@@H]12 1068172912 YRKVFELQADUNPF-RYUDHWBXSA-N 324.348 -0.411 30 20 DBED C=CCOCC(=O)N[C@H]1COC2(C1)CN(C(=O)c1cn[nH]c1)C2 1068763859 DKKMHMHLDNRHFX-GFCCVEGCSA-N 320.349 -0.288 30 20 DBED CCC1(NC(=O)c2nnn(C)n2)CCN(C(=O)[C@H](C)C#N)CC1 1069582513 HVZGSGGPLGHTNF-SNVBAGLBSA-N 319.369 -0.129 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2cncnc2O)C1 1069955847 PVLLHUQLARITAI-NEPJUHHUSA-N 315.337 -0.385 30 20 DBED CCn1ccc(C(=O)N[C@@H]2CN(CC#N)C[C@@H]2n2ccnn2)n1 1070046929 WVEQCYBEIOELRG-OLZOCXBDSA-N 314.353 -0.327 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@@H]1n1ccnn1 1070209351 ZUOBSCSZHWNJSM-QLFBSQMISA-N 316.409 -0.407 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CCCN(C(=O)c2ccc(C(N)=O)[nH]2)C1 1071355400 GNAYGDZBIXQGOU-NXEZZACHSA-N 317.349 -0.006 30 20 DBED C=CCCN1CCO[C@H]2CCN(C(=O)CS(C)(=O)=O)C[C@H]21 1074188090 NCDJILFISZMURK-OLZOCXBDSA-N 316.423 -0.091 30 20 DBED COc1cnc(C(=O)N2CC[C@H]3OCCN(CC#N)[C@H]3C2)nc1 1074294226 KAHQQZKDOSGUAZ-QWHCGFSZSA-N 317.349 -0.076 30 20 DBED N#CCN[C@@H]1CCCO[C@@H]1C1CCN(C(=O)CC(N)=O)CC1 1075407213 XPKUQPRBUBVLNQ-IUODEOHRSA-N 308.382 -0.239 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H](C)CCNC(=O)CNC(=O)OC 1075762597 MTGXIKWKRWKBTC-HZMBPMFUSA-N 315.370 -0.320 30 20 DBED C#CCN1C[C@@H]2CCN(C(=O)CN3C(=O)CC(C)(C)C3=O)[C@@H]2C1 1075795575 YYRKCXBSKQIOJE-QWHCGFSZSA-N 317.389 -0.063 30 20 DBED C[C@@H](CCNC(=O)c1cn(C)nn1)NC(=O)c1c[nH]c(C#N)c1 1076365299 RCOSHXHTCQJZRI-VIFPVBQESA-N 315.337 -0.047 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2ccc(NC(=O)NC)cc2)C1 1078253943 ZVZMFZTWRAJCOO-ZIAGYGMSSA-N 316.361 -0.154 30 20 DBED C=CCCOCC(=O)N(CC)C1CN(C(=O)[C@@H]2CCC(=O)N2)C1 1079978613 VMKVVYTVOKXSED-ZDUSSCGKSA-N 323.393 -0.083 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1O 1081336258 WHCQYYUTDGFNCL-WDEREUQCSA-N 309.366 -0.846 30 20 DBED C#CCCN1C[C@@H](NC(=O)C[C@@H]2CCN(C)C2=O)[C@H](OC)C1 1081831872 ZBSOSVDNMIHSPT-BFHYXJOUSA-N 307.394 -0.307 30 20 DBED CC#CCN1C[C@@H](NC(=O)[C@H]2CCNC(=O)CC2)[C@H](OC)C1 1081986737 SXGOPUNPTJBGSO-MGPQQGTHSA-N 307.394 -0.259 30 20 DBED CC(C)C#CC(=O)N1CCCC[C@H]1CNC(=O)Cn1cnnn1 1082059065 XKHRVPIIRRWLSY-ZDUSSCGKSA-N 318.381 -0.170 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cn(C)nc1OC 1083161831 WBPOZXIMCWZIIP-UONOGXRCSA-N 318.377 -0.023 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)CN2CCCCC2=O)C1 1083599335 PJZAXNALCVVDBU-NEPJUHHUSA-N 315.801 -0.087 30 20 DBED C#CCCN1CC[C@H]1CN(C)C(=O)[C@H]1COCCN1C(C)=O 1085978937 GAYQARQLZUXEIT-LSDHHAIUSA-N 307.394 -0.210 30 20 DBED C=CCCN1CC[C@H]1CN(C)C(=O)c1cn(CC(N)=O)nn1 1085986512 GLNDUINTNIFAQL-NSHDSACASA-N 306.370 -0.514 30 20 DBED C=C(C)CN[C@H]1C[C@H](CNC(=O)c2cn(C)c(=O)n(C)c2=O)C1 1086494767 VRPJXWAGDGGTLT-HAQNSBGRSA-N 320.393 -0.242 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)c3cnc(O)n(C)c3=O)C[C@@H]2C1 1088063255 XIOGEZNXBRHZPG-NEPJUHHUSA-N 316.361 -0.487 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2ccn(CCOC)n2)[C@@H](O)C1 1090424031 VVUYXCDBNOIKJJ-HIFRSBDPSA-N 320.393 -0.282 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)c2cc(C(N)=O)c[nH]2)[C@H](O)C1 1090675237 HMPZNLAZDKILIR-DGCLKSJQSA-N 306.366 -0.145 30 20 DBED C#CCN1CC[C@@H](NC(=O)Cc2c(C)nc(C)nc2O)[C@H](O)C1 1090805223 MELAKHDFZCLNAH-ZIAGYGMSSA-N 318.377 -0.474 30 20 DBED CC(=O)NCC(=O)NC[C@H]1C[C@H](Nc2cnc(C#N)cn2)C1 1091416650 KTJHZHVKYDHTEW-XYPYZODXSA-N 302.338 -0.209 30 20 DBED C=CCN1CC[C@H](N2C[C@@H]3CN(C(=O)C(N)=O)C[C@]3(C)C2)C1=O 1091971327 ZFQMWBILCSLTEZ-WQGACYEGSA-N 320.393 -0.961 30 20 DBED N#Cc1cncc(N2CCN(C(=O)C(=O)NCC3CC3)CC2)n1 1093170280 ZCSGAAQHPSKIHE-UHFFFAOYSA-N 314.349 -0.477 30 20 DBED CC(C)(C)[C@@H](NC(N)=O)C(=O)NCCNc1cnc(C#N)cn1 1093744814 HLKQWYKDNIMFOR-NSHDSACASA-N 319.369 -0.041 30 20 DBED N#Cc1nc(=NCCNC(=O)Cn2cc(C3CC3)nn2)cc[nH]1 1093923352 XEZPOVOQOQGLRV-UHFFFAOYSA-N 312.337 -0.533 30 20 DBED C[C@H](C(=O)NCCN=c1cc[nH]cc1C#N)[C@H]1CCC(=O)N1 1094133277 LTLNSTAMVZBJBF-CMPLNLGQSA-N 301.350 -0.182 30 20 DBED C#CCN1CC(n2cc(CNC(=O)c3ccc(O)nn3)nn2)C1 1094271412 VYEWURCOYPCGDO-UHFFFAOYSA-N 313.321 -0.806 30 20 DBED Cc1cc(C#N)nc(NCCCNC(=O)Cn2cnnc2O)n1 1094374039 WUBNQOINQDKZSW-UHFFFAOYSA-N 316.325 -0.428 30 20 DBED CCN1CCO[C@@H](C(=O)NCCCNc2ccc(C#N)nn2)C1 1094446583 FXFSDGXMRWIMCE-CYBMUJFWSA-N 318.381 -0.013 30 20 DBED C#CCCN1CC(N2C[C@@H](NC(=O)c3cc(C)[nH]n3)CC2=O)C1 1094712685 YWTUHYJCGILOEJ-LBPRGKRZSA-N 315.377 -0.244 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)[C@@]34COC[C@@H]3C4)CC2=O)C1 1094740763 SMKFULIKRHINHP-MKBNYLNASA-N 305.378 -0.390 30 20 DBED Cc1nocc1C(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1 1094778796 JOIHHJPIUQRTQU-JTQLQIEISA-N 303.322 -0.479 30 20 DBED COc1c(O)nc(O)nc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC#N 1096341297 YUCPFAITPVWQCQ-VGMNWLOBSA-N 319.321 -0.245 30 20 DBED COc1cc(C(=O)NC[C@H](C)N=c2cc[nH]c(C#N)n2)nn1C 1098407512 UOOGHDSFOFEGRH-VIFPVBQESA-N 315.337 -0.257 30 20 DBED C[C@H](CNC(=O)c1cn(C)c(=O)cn1)Nc1ccc(C#N)nn1 1098429352 LXEPEVRFBLSKKC-SECBINFHSA-N 313.321 -0.328 30 20 DBED Cn1nccc1CN1CC[C@@H](NC(=O)CSCC#N)[C@H](O)C1 1099689369 FWXXSYANOCMRGF-CHWSQXEVSA-N 323.422 -0.272 30 20 DBED N#CCNC(=O)CN1CC[C@H](NC(=O)CC(F)(F)F)[C@@H](O)C1 1099712737 QEZDJUHQVLDPJD-IUCAKERBSA-N 322.287 -0.870 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2ccnnc2)[C@H](O)C1 1100013936 VRXFOXJZLVYNOC-ZIAGYGMSSA-N 304.350 -0.709 30 20 DBED N#CCNC(=O)CNC1CC(CNC(=O)[C@H]2CCCOC2)C1 1100179775 PSEDNTYTWZNKRK-CPCZMJQVSA-N 308.382 -0.463 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1CC(NCc2nc(O)n[nH]2)C1 1100285753 SAHATGWWCMBISQ-RPFQZYLTSA-N 309.370 -0.178 30 20 DBED CN(CCNC(=O)c1ccn(C)c(=O)c1)c1ccc(C#N)nn1 1100399571 GBOJUGODGCRHST-UHFFFAOYSA-N 312.333 -0.087 30 20 DBED COCCS(=O)(=O)CC(=O)NCC1CC(NCC#N)C1 1100452125 YAQIXNJEVVHSMD-UHFFFAOYSA-N 303.384 -0.944 30 20 DBED CCN(CCNC(=O)[C@H]1CN(C)CCO1)c1nccnc1C#N 1100495892 KIADDRCBQAFUBH-CYBMUJFWSA-N 318.381 -0.379 30 20 DBED CCCN(CCNC(=O)[C@@H]1CCNC1=O)c1nccnc1C#N 1101220781 QPBKHTORCDVJFC-LLVKDONJSA-N 316.365 -0.183 30 20 DBED N#Cc1ccc(N(CCNC(=O)CCNC(N)=O)C2CC2)nn1 1101345545 SNXJVYSTPVWMEO-UHFFFAOYSA-N 317.353 -0.508 30 20 DBED CN(CCNc1cncc(C#N)n1)C(=O)C[C@@H]1CCNC1=O 1101823109 OHCUOWBMZHHJCF-JTQLQIEISA-N 302.338 -0.255 30 20 DBED C#CCN1C[C@@H](C)[C@H](CCNC(=O)CN(C)S(C)(=O)=O)C1 1103050269 ZYJFAVMCHLKIPW-CHWSQXEVSA-N 315.439 -0.415 30 20 DBED CC[C@@H](CNC(=O)Cn1ncnn1)Nc1cncc(C#N)n1 1103208213 XGXSROUUHLAFRE-VIFPVBQESA-N 301.314 -0.658 30 20 DBED C[C@H](NC(N)=O)C(=O)N(C)[C@@H](C)CN=c1cc[nH]c(C#N)n1 1104534846 CSFNMWHEXCWAMC-IUCAKERBSA-N 305.342 -0.914 30 20 DBED Cc1nnc(CC(=O)N(C)[C@@H](C)CN=c2cc[nH]c(C#N)n2)o1 1104545417 KTCTVXNEVFDGRP-VIFPVBQESA-N 315.337 -0.037 30 20 DBED CNC(=O)NCC(=O)NC[C@@H](N=c1cc[nH]cc1C#N)C(C)C 1105298653 ODCQIZLLFWETOE-CYBMUJFWSA-N 318.381 -0.143 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CCC[C@@H]1CN=c1cc[nH]c(C#N)n1 1105662369 HDROVHPQBOQVKD-GHMZBOCLSA-N 316.365 -0.397 30 20 DBED Cc1cc(C#N)nc(NC[C@H](O)CNC(=O)c2cnc(C)[nH]2)n1 1105749666 CYSQRXOITSULOM-LLVKDONJSA-N 315.337 -0.109 30 20 DBED COc1ccnc(NC[C@H](O)CNC(=O)CSCC#N)n1 1105755034 ORDFYIBTWWMKHF-SECBINFHSA-N 311.367 -0.369 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)[C@@H]2CCCO2)C[C@H]1C 1105796970 YMRIWPCNGGDAGV-MCIONIFRSA-N 307.394 -0.401 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@H](O)CNc1nccnc1C#N 1105806222 SIGWMBWNVVWAGR-QMTHXVAHSA-N 305.338 -0.436 30 20 DBED C=C[C@](C)(O)CC(=O)N1C[C@@H](C)[C@H](CNCc2nnn(C)n2)C1 1106058910 LHPWUNGNSBWMPB-JMSVASOKSA-N 322.413 -0.279 30 20 DBED N#Cc1nccnc1NC[C@H](O)CNC(=O)Cc1cnoc1 1106069947 FXFFYGRLTBRKEX-SNVBAGLBSA-N 302.294 -0.532 30 20 DBED C[C@H](CCNc1cnc(C#N)cn1)NC(=O)[C@H]1CCC(=O)N1 1106271894 QQWBVBHMSFAZEO-MWLCHTKSSA-N 302.338 -0.066 30 20 DBED C[C@@H](CCNc1cnc(C#N)cn1)NC(=O)CN1CCOCC1 1106279333 GDZKDWXXOBZHOH-LBPRGKRZSA-N 318.381 -0.013 30 20 DBED C[C@H](CCNc1cnc(C#N)cn1)NC(=O)CCNC(N)=O 1106328326 JZHRKHBKSKJFIF-SECBINFHSA-N 305.342 -0.287 30 20 DBED CC(=O)N1CCO[C@H](C(=O)N2C[C@@H](C)[C@H](CNCC#N)C2)C1 1106935143 HDMSEQLKSVJTDT-BNOWGMLFSA-N 308.382 -0.559 30 20 DBED C#CCNC(=O)CC(=O)NC[C@]12CCC[C@H]1N(CCCO)CC2 1107374333 RFXUXCILPKUKST-RHSMWYFYSA-N 321.421 -0.131 30 20 DBED N#Cc1nccnc1NC/C=C\CNC(=O)C[C@H]1CCNC1=O 1107375417 RIWCMQSKLJHOID-RFMOXSJOSA-N 314.349 -0.041 30 20 DBED COCC#CCN1CCO[C@](C)(CNC(=O)c2cnccn2)C1 1107704840 TXKFBTJUCLEABF-MRXNPFEDSA-N 318.377 -0.053 30 20 DBED C#CCN1CCN(C(=O)[C@@H](C)OCC)[C@@H]2CS(=O)(=O)C[C@@H]21 1108460252 QZTCEJGONWIEHE-FRRDWIJNSA-N 314.407 -0.646 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CC(=O)N(C2CN(CC#C)C2)C1 1108546567 YFYZSKIRQHCDQO-QWHCGFSZSA-N 303.362 -0.941 30 20 DBED CC(=O)N[C@H](C)C(=O)N[C@H](C)CN(C)c1ccc(C#N)nn1 1108818396 MXDSWQWLXSMXFM-NXEZZACHSA-N 304.354 -0.186 30 20 DBED C[C@H](CN(C)c1ccnc(C#N)n1)NC(=O)CNC(=O)C1CC1 1108833802 SVFQWXNVDYVQQS-SNVBAGLBSA-N 316.365 -0.185 30 20 DBED C[C@@H](CN(C)c1ccc(C#N)nn1)NC(=O)CCn1ccnn1 1108917339 BHYFVQPMYAYDLR-NSHDSACASA-N 314.353 -0.029 30 20 DBED C[C@@H](CN(C)c1nccnc1C#N)NC(=O)[C@@H]1COCCN1C 1108942644 AUCNBJIFBQDFAJ-AAEUAGOBSA-N 318.381 -0.380 30 20 DBED CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1108970203 QKWKCLQNFDNBLL-RNJOBUHISA-N 308.382 -0.227 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)COCC1CC1 1108977553 NRPQVTVUOURCJJ-ILXRZTDVSA-N 319.405 -0.116 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2[C@H](C)COC 1109175453 LLYGJPSACFFYKR-MQYQWHSLSA-N 307.394 -0.118 30 20 DBED COCCOCC(=O)N[C@@H]1[C@H]2C[C@H]1N(c1cnc(C#N)cn1)C2 1109694506 AAGVKLOUYIDPJJ-JVLSTEMRSA-N 317.349 -0.295 30 20 DBED CCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1110363656 JTKDTPMSVOKADH-UPJWGTAASA-N 308.382 -0.226 30 20 DBED CN(CCCN(C)c1nccnc1C#N)C(=O)Cn1cncn1 1112087154 OEXQZAQRRLCGAE-UHFFFAOYSA-N 314.353 -0.075 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(c2nccc(OC)n2)C[C@H]1O 1112701916 MABCSGSJVDXKIL-VXGBXAGGSA-N 322.365 -0.399 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)c2cccc(O)n2)CC1 1112744968 DPXPCVFINIMNBQ-GFCCVEGCSA-N 316.361 -0.317 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)c2cnnn2CC)CC1 1112821221 QVDILAOEEAGEHC-GFCCVEGCSA-N 320.397 -0.254 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)[C@H](CC)NC(C)=O)CC1 1113368489 MGMAAYKCZZDQFQ-OCCSQVGLSA-N 322.409 -0.817 30 20 DBED CO[C@@H]1CCCC[C@H]1C(=O)N1CCN(CC(=O)NCC#N)CC1 1113701824 MBQFELYMLSSGGO-ZIAGYGMSSA-N 322.409 -0.024 30 20 DBED C[C@H](C(=O)N1CCN(CC(=O)NCC#N)CC1)C1CCOCC1 1113741828 FIFILCKOSJYFNX-ZDUSSCGKSA-N 322.409 -0.167 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3cc(CC)[nH]n3)[C@H]2C1 1113889005 SUMGWJCTIRPAJM-JYAVWHMHSA-N 315.377 -0.619 30 20 DBED C#CCO[C@H](C)C(=O)NC1[C@H]2CN(Cc3cnnn3CC)C[C@H]12 1114271236 RIRMQSIHRGSCOH-XBFCOCLRSA-N 317.393 -0.117 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)c3n[nH]cc3F)[C@H]2C1 1114787041 KQZKUFDEPLCTKK-SVDPJWKOSA-N 319.340 -0.653 30 20 DBED C[C@H](CCCNc1cncc(C#N)n1)NC(=O)[C@H]1CNC(=O)N1 1115061663 BFZMLBVDNLVSIA-MWLCHTKSSA-N 317.353 -0.274 30 20 DBED C[C@H](CCCNc1nccnc1C#N)NC(=O)[C@H]1CNC(=O)N1 1115062461 TURSLFAQTAIUKE-MWLCHTKSSA-N 317.353 -0.274 30 20 DBED N#CCN1C[C@@H]2C(NC(=O)CCCCCS(N)(=O)=O)[C@H]2C1 1115368583 VWJJBTCDXSITMB-QWRGUYRKSA-N 314.411 -0.595 30 20 DBED C#CCOCCNC(=O)NCCN/C(O)=C1/N=CC=CC1=O 1116552301 UGPJWGFRXLDVMP-SEYXRHQNSA-N 306.322 -0.538 30 20 DBED CN(Cc1nccs1)C(=O)C(=O)N1CC[C@](O)(CC#N)C1 1118249598 OUYKTVZGEKKJLM-CYBMUJFWSA-N 308.363 -0.021 30 20 DBED C=CCN(C(=O)[C@H]1CCCS1(=O)=O)[C@H]1CCS(=O)(=O)C1 1118370045 XZRBGYDPXTXALN-WDEREUQCSA-N 321.420 -0.235 30 20 DBED N#Cc1cncc(N[C@@H](CO)CNC(=O)C[C@H]2CCCO2)n1 1121099683 KXKTXZRWHMYHNX-VXGBXAGGSA-N 305.338 -0.194 30 20 DBED CC(=O)N1CC(C(=O)NC[C@H](CO)Nc2ccc(C#N)cn2)C1 1121364161 BETAIUDBHRNRGS-CYBMUJFWSA-N 317.349 -0.679 30 20 DBED CCn1nncc1C(=O)NC[C@H](CO)Nc1cncc(C#N)n1 1121471937 LAGMFZJRTMUWEP-SNVBAGLBSA-N 316.325 -0.838 30 20 DBED CN(C[C@H](O)CNc1ccc(C#N)nc1)C(=O)c1cnn[nH]1 1124898171 WSDAHKUWXBVEQB-LLVKDONJSA-N 301.310 -0.384 30 20 DBED Cc1ccc(COCC(=O)NCCNCC(=O)NCC#N)cc1 1128828502 SVBNTHHUNQNRTB-UHFFFAOYSA-N 318.377 -0.143 30 20 DBED CNC(=O)CN1C[C@H](n2ccnn2)[C@H](NC(=O)C#CC(C)C)C1 1128972425 XMYICHITKUBKNR-OLZOCXBDSA-N 318.381 -0.975 30 20 DBED COCCCCC(=O)N1C[C@H](n2ccnn2)[C@H](NCC#N)C1 1129703423 CGUFPBFLFFOZMS-OLZOCXBDSA-N 306.370 -0.040 30 20 DBED CO[C@@H](C)CCC(=O)N1C[C@H](n2ccnn2)[C@H](NCC#N)C1 1129757084 VDDHDYVUWXZVHF-XQQFMLRXSA-N 306.370 -0.042 30 20 DBED C=CCCN[C@@H]1CN(C(=O)[C@@H](C)CC(N)=O)C[C@@H]1n1ccnn1 1129956314 CURVKWUHHJWPGI-XQQFMLRXSA-N 320.397 -0.293 30 20 DBED C#CCN1CC[C@H](c2n[nH]cc2CNC(=O)CNC(N)=O)C1 1130342232 DNHKKULLDWZBOJ-JTQLQIEISA-N 304.354 -0.883 30 20 DBED C[C@H]1CCN(C(=O)CN2CC(=O)N(C)C2=O)C[C@@H]1CNCC#N 1133249178 ANDPRRFWLDQEQT-RYUDHWBXSA-N 321.381 -0.522 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)[C@H]1C[C@H]1C(N)=O 1133912263 YQCQNAWTBBZJES-NEPJUHHUSA-N 308.382 -0.986 30 20 DBED C=CCN(CC=C)C(=O)CN[C@H](C)C[C@H](C)NC(=O)CC(N)=O 1133985128 WMWHGPUFESTVFP-OLZOCXBDSA-N 324.425 -0.065 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)C[C@@H](C)NCC(=O)NC1CC1 1134130294 FWJDAACOXAKUMW-NEPJUHHUSA-N 322.409 -0.723 30 20 DBED N#Cc1ccc(CN2CCCO[C@@H](CNC(=O)C(N)=O)C2)cc1 1150212974 UXJXFHMWIODDBW-AWEZNQCLSA-N 316.361 -0.249 30 20 DBED C=CCNC(=O)NC(=O)CNCCCNC(=O)c1ccn(C)c1 1156552328 CXRJHBLRULKLRW-UHFFFAOYSA-N 321.381 -0.254 30 20 DBED C#CCO[C@H](C)C(=O)NCCCNCc1nnnn1C(C)C 1157869320 JPPLXOXXOFMGHM-GFCCVEGCSA-N 308.386 -0.112 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)[C@@H]1CCNC(=O)CC1 1163318371 WGVBSJJJFVZNBZ-OLZOCXBDSA-N 322.409 -0.864 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)c2cn(CC)nn2)C1=O 1169579355 SUWUSZXVRORTBY-GFCCVEGCSA-N 320.397 -0.206 30 20 DBED C#CCNC(=O)CNCCCNC(=O)COc1ccccc1 1171889469 DTZQQDHDUUKZLH-UHFFFAOYSA-N 303.362 -0.089 30 20 DBED C#CCNC(=O)CN1CCO[C@H]2CCN(C(=O)C(C)C)C[C@@H]21 1176912889 ODZNNXLDAXVFKC-KBPBESRZSA-N 307.394 -0.307 30 20 DBED N#CCN1CCO[C@H]2CCN(C(=O)CCCCC(N)=O)C[C@H]21 1177133264 ZHQJJJADFCADLQ-OLZOCXBDSA-N 308.382 -0.143 30 20 DBED C=CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)CN(C)C(C)=O)[C@H]1C 1178162692 FYIOGHHHTWUFFP-OBJOEFQTSA-N 324.425 -0.266 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)Cc2cncnc2)[C@H]1C 1178560126 XTSFNBWCKWQWDW-JSGCOSHPSA-N 315.377 -0.653 30 20 DBED C=CCOCCN[C@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)[C@H]1C 1178916114 OBNALAJIFFNXBU-SRVKXCTJSA-N 324.381 -0.634 30 20 DBED C=CCNC[C@H]1CCN(C(=O)Cn2ncn(C)c2=O)C[C@@H]1C 1184684323 ONNZXLJKLIVUDP-QWHCGFSZSA-N 307.398 -0.158 30 20 DBED C[C@H]1CN(C(=O)CN2C(=O)CCC2=O)CC[C@@H]1CNCC#N 1185643393 WUPDFDYFDZFIDP-NWDGAFQWSA-N 306.366 -0.267 30 20 DBED C=CCOCC(=O)N1CCC[C@H](n2cc(CNCCO)nn2)C1 1185907299 JOGDCPBORAJGJR-AWEZNQCLSA-N 323.397 -0.274 30 20 DBED C#CCNC[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)CC12CCOCC2 1186464333 KJPHGTLFDCKUCL-OLZOCXBDSA-N 320.393 -0.854 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CN(Cc3nnn(C)n3)C[C@H]21 1187882324 NEGKPUWGMRJICT-RWMBFGLXSA-N 318.381 -0.719 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@H]1CCN(C(=O)c2cocn2)C1 1189354073 MWJOEJWABRJCEM-RYUDHWBXSA-N 304.350 -0.041 30 20 DBED C=CCNC(=O)NC(=O)CN(C)[C@H]1CCN(C(=O)[C@H](C)C#N)C1 1189390687 TTYXUOJBERNVOI-NEPJUHHUSA-N 321.381 -0.309 30 20 DBED CN(CC(=O)NCC#N)[C@H]1CCN(C(=O)CCn2ccnc2)C1 1191625265 KLFUVWCEZSBNQR-ZDUSSCGKSA-N 318.381 -0.554 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(CC(=O)NC(C)(C)C)C[C@H]1O 1192721973 GOLDNASWHIPWQV-CHWSQXEVSA-N 309.410 -0.278 30 20 DBED CCc1noc(CN2C[C@@H](O)[C@H](NC(=O)C#CC3CC3)C2)n1 1192826616 HVBHOZKHMIQUQA-VXGBXAGGSA-N 304.350 -0.293 30 20 DBED N#CCNC(=O)CN1CCCN(C(=O)Cc2cccnc2)CC1 1195488986 WFYGLBFBTPKYRR-UHFFFAOYSA-N 315.377 -0.202 30 20 DBED C#CCNC(=O)[C@H](C)N1CCCN(C(=O)c2csnn2)CC1 1196674326 URPXQUUIMPIFJG-NSHDSACASA-N 321.406 -0.176 30 20 DBED C=CCCNC[C@@H]1CN(C(=O)Cn2cnnc2O)CCCO1 1200298135 CJYQUGYUDTYAKY-GFCCVEGCSA-N 309.370 -0.233 30 20 DBED C=C(C)CCNC[C@@H]1CN(C(=O)c2nnn(C)n2)CCCO1 1201185618 CBHCGROWUAQMIL-GFCCVEGCSA-N 308.386 -0.003 30 20 DBED C#CCNC[C@@H]1CN(C(=O)[C@H]2CN(CC)CCO2)CCCO1 1202114716 ALMKPVKPUCUGJN-HUUCEWRRSA-N 309.410 -0.453 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)[C@H](OC)C2CC2)CC1 1205137496 LQHIUGWCTDLKSG-MRXNPFEDSA-N 321.421 -0.011 30 20 DBED CC#CCNCC1CCN(C(=O)CC[C@H]2NC(=O)NC2=O)CC1 1206919891 POHAFWQJSVIMQB-CYBMUJFWSA-N 320.393 -0.174 30 20 DBED COCC#CCN1C[C@@H](NC(=O)[C@@H]2CCC(=O)NC2)[C@H](C)C1 1207795931 OSSLREKYQGSTOS-MGPQQGTHSA-N 307.394 -0.401 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)c2csc(O)n2)C1 1209119653 BOQYWWPUSRUBTC-JTQLQIEISA-N 322.390 -0.208 30 20 DBED CC#CCCCC(=O)N[C@@H]1CN([C@H]2CCNC2=O)C[C@H]1OC 1213303393 MLTZBTDRLUTEQN-HZSPNIEDSA-N 307.394 -0.116 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2cocn2)C[C@H]1C 1214320612 XZPLZEMIZNDSHD-GRYCIOLGSA-N 304.350 -0.137 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](NCCCN2C(=O)CNC2=O)[C@H](C)C1 1214338247 MPYSVVRSVAHPIN-QJPTWQEYSA-N 321.381 -0.476 30 20 DBED N#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)CCc2ccoc2)C1 1219451887 UCDCUBSZQHPRHS-OLZOCXBDSA-N 320.349 -0.987 30 20 DBED CC(C)(C)C#CC(=O)N[C@@H]1CN([C@@H]2CCC(=O)NC2=O)C[C@@H]1O 1219598003 DAULKHJAABFXQB-UTUOFQBUSA-N 321.377 -0.998 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)C(C)(C)CN2CCOCC2)C1 1219877573 MBHVRCXAYYXKAK-KGLIPLIRSA-N 311.426 -0.308 30 20 DBED C=C(C)C[C@@H](C)C(=O)N[C@@H]1CN(CCN2CCNC2=O)C[C@@H]1O 1220201273 KQTRSOPFLCWXPF-MCIONIFRSA-N 324.425 -0.225 30 20 DBED C[C@@H](NS(C)(=O)=O)C(=O)NCC1CCN(CC#N)CC1 1224656971 PWGNTOTXQYEPLU-SNVBAGLBSA-N 302.400 -0.724 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC(NC(=O)CCOCC#C)CC1 1227323462 ULEIEDZVJHEKQN-CQSZACIVSA-N 319.405 -0.255 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC(NC(=O)c2ccncn2)CC1 1229655699 ORUPZPJZBSJFPL-LBPRGKRZSA-N 315.377 -0.191 30 20 DBED C=CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)CNC(=O)OC 1230916090 LDCRUZDJSPXKSE-LLVKDONJSA-N 312.370 -0.823 30 20 DBED C#CCNC(=O)CC(=O)N(C)C[C@H]1CCN1C[C@@H]1CCOC1 1233819783 PIYRYLBTWGZGAR-UONOGXRCSA-N 307.394 -0.305 30 20 DBED CN(C)C[C@@H]1CCN(C(=O)C(=O)Nc2cnn(CC#N)c2)C1 1254409952 KXWSUSLASCJNOB-NSHDSACASA-N 304.354 -0.245 30 20 DBED N#CCN1CCC(NC(=O)NCc2nnnn2CC2CC2)CC1 1255066114 SHMQJRSRYSZOGB-UHFFFAOYSA-N 318.385 -0.130 30 20 DBED C=CC(C)(C)Cn1nnnc1N1C[C@H]2C(=O)N(C)C(=O)[C@H]2C1 1262442159 QJHQPAHLVSGNLR-AOOOYVTPSA-N 304.354 -0.064 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)CN2CCOCC2=O)C1 1265288103 NNVNJYDALFNEEX-CYBMUJFWSA-N 311.382 -0.762 30 20 DBED COC[C@H](O)CNCC1(NC(=O)C#CC(C)C)CCOCC1 1273969466 REXOPMJERPKSSG-CQSZACIVSA-N 312.410 -0.092 30 20 DBED CCCNC(=O)CNC(=O)C(=O)Nc1cc(C)nn1CCC#N 1319433489 RRWHZJAFGMCMAM-UHFFFAOYSA-N 320.353 -0.314 30 20 DBED C=CCOC[C@@H](NC(=O)Cn1cc([C@H](C)O)nn1)C(=O)OC 1321582936 KMXTUHVOSFTRIY-GXSJLCMTSA-N 312.326 -0.808 30 20 DBED C#C[C@@H](NC(=O)C(=O)NCc1nc(C2CC2)no1)[C@H]1CCCO1 1321891634 XQEUSCUJHGMQQX-GHMZBOCLSA-N 318.333 -0.140 30 20 DBED C#CCCCCNC(=O)C(=O)N1CCN(C(=O)C2CC2)CC1 1323644453 OLPLDPHSRXYNCB-UHFFFAOYSA-N 305.378 -0.013 30 20 DBED C=CCn1cc(CNC(=O)NCCCCS(N)(=O)=O)nn1 1326218603 MEHLURBNNZEHAR-UHFFFAOYSA-N 316.387 -0.668 30 20 DBED CCN(CCO)CCNC(=O)C(=O)Nc1ccc(C#N)cn1 1326283191 MDMZVQZXCXKSQL-UHFFFAOYSA-N 305.338 -0.678 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C1 1326400928 KYTKOBHCEKTIPW-XJKSGUPXSA-N 320.393 -0.536 30 20 DBED CCOC(=O)C[C@@H]1CCCN1C(=O)C(=O)N1CCO[C@H](C#N)C1 1326989683 BLOYSCNLVVYIKN-NWDGAFQWSA-N 323.349 -0.318 30 20 DBED C#CC[C@@H](CO)NC(=O)COCC(=O)NCc1cccnc1 1328394665 JFCURYXWWAITGW-ZDUSSCGKSA-N 305.334 -0.785 30 20 DBED C#CCOCCNC(=O)C(=O)N[C@@H]1CCCc2c1cnn2C 1329101328 SFAMXUYZJFIKFY-GFCCVEGCSA-N 304.350 -0.320 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2C[C@H](C)OC[C@H]2C)nn1 1332045478 TXDSYMZYNBTICD-MNOVXSKESA-N 307.354 -0.284 30 20 DBED C=C(C)Cn1nnnc1N1CCC[C@@H](S(=O)(=O)NC)C1 1334454168 NOHKNFDMBZATKC-SNVBAGLBSA-N 300.388 -0.233 30 20 DBED C#CCN(CC)c1nnnn1C[C@H]1CCN(S(C)(=O)=O)C1 1335888769 IAVLAKXOERGGRB-NSHDSACASA-N 312.399 -0.586 30 20 DBED C#C[C@@H](C)NC(=O)C(=O)Nc1cccn(CC(=O)OCC)c1=O 1343340137 HZSQGNBPSBSSJX-SNVBAGLBSA-N 319.317 -0.512 30 20 DBED CO[C@@H](C)CCC(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1 1346065240 POSSWQFUYJGTTK-WDEREUQCSA-N 316.379 -0.233 30 20 DBED C#CCN(C(=O)C(=O)N1CCc2nnc(O)cc2C1)C(C)C 1356385156 CLWZLAPXJPIZPE-UHFFFAOYSA-N 302.334 -0.063 30 20 DBED CS(=O)(=O)NC1CCN(C(=O)C2(C#N)CCOCC2)CC1 1361896521 CDNXXKFSEKWCSM-UHFFFAOYSA-N 315.395 -0.153 30 20 DBED CN(C)C1(CNC(=O)CCn2cc(C#N)c(O)nc2=O)CC1 1362784832 COEVUKQFZTWEMI-UHFFFAOYSA-N 305.338 -0.579 30 20 DBED CCC(=O)NCC(=O)N1CC[C@H](CN(C)C(=O)[C@H](C)C#N)C1 1374460775 QLCBJCQWDXUFBJ-VXGBXAGGSA-N 308.382 -0.021 30 20 DBED CN(CCNC(=O)c1cc(C#N)c[nH]1)C(=O)Cc1nc[nH]n1 1386840188 XNMXEVNTMNKRDM-UHFFFAOYSA-N 301.310 -0.565 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](C)CNC(=O)CCC(=O)N1CCOCC1 1392572097 NXJJJBHEAQGQRX-NWDGAFQWSA-N 324.381 -0.594 30 20 DBED CC(=O)NCC(=O)N1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)C[C@@H]1C 1395874718 XPEGBECMCOFOSW-CABZTGNLSA-N 317.349 -0.258 30 20 DBED C[C@H](CNCc1cc(=O)n(C)c(=O)n1C)CNC(=O)[C@H](C)C#N 1401109481 ZEFJXGSKRSLJEL-GHMZBOCLSA-N 321.381 -0.914 30 20 DBED C=C(Cl)CN1CC(O)(CNC(=O)[C@@H](CC)NC(C)=O)C1 1407438935 QOEZJFJUOWGRRP-LLVKDONJSA-N 303.790 -0.184 30 20 DBED C=C(Cl)CNC[C@H](O)CNC(=O)c1c[nH]c(C(N)=O)c1 1420222739 WMHLOZLKMDZBDM-VIFPVBQESA-N 300.746 -0.454 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CCN(C(=O)COCc2nncn2C)C1 1427802196 JCICTFDOFZVVEF-GHMZBOCLSA-N 320.353 -0.792 30 20 DBED C[C@H](CC(N)=O)C(=O)NCCN(C)C(=O)c1cc(C#N)c[nH]1 1429411601 NKRRZWNWTJFTFR-SECBINFHSA-N 305.338 -0.414 30 20 DBED Cn1cc([C@H]2C[C@H](NC(=O)Cn3cnc(C#N)n3)CCO2)cn1 1434029339 HMURPBGOOQPWPI-VXGBXAGGSA-N 315.337 -0.080 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C)C(=O)[C@@H]1CCCCN1C(N)=O 1449182737 BJEQUAPDRZHMEQ-QWRGUYRKSA-N 309.370 -0.346 30 20 DBED CCn1cc(C(=O)NC[C@]2(O)CCN(C(=O)[C@@H](C)C#N)C2)cn1 1454083050 PIKGSFMREVRTEC-XHDPSFHLSA-N 319.365 -0.244 30 20 DBED COCCC(=O)N1CCN(CCN(C)C(=O)[C@@H](C)C#N)CC1 1497859182 YSOWNCSZJUILIX-ZDUSSCGKSA-N 310.398 -0.215 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNc1ccc(-c2nn[nH]n2)cn1 1573577249 OGNMPFVRBLEQGD-SCZZXKLOSA-N 316.325 -0.690 30 20 DBED COC(=O)CN(CC#N)C(=O)c1cccn(CC(=O)O)c1=O 1574065971 HGLSAYHMBBPLTK-UHFFFAOYSA-N 307.262 -0.928 30 20 DBED N#Cc1ccnc(C(=O)NCC[C@@H]2CNCCS2(=O)=O)c1 1580080075 LHZZZPSIYZHROC-LLVKDONJSA-N 308.363 -0.540 30 20 DBED C#CCN(CC(=O)O)C(=O)CCN/C(O)=C1/N=CC=CC1=O 1588402385 SLMLXCSMEFQULN-YPKPFQOOSA-N 305.290 -0.551 30 20 DBED C#CCN1CCC(C(=O)N2C[C@@H](C(=O)OC)[C@@H](C(=O)O)C2)CC1 1588471150 BANQNQSXSVCKCA-QWHCGFSZSA-N 322.361 -0.336 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N1C[C@@H](C)O[C@@H](C(=O)O)C1 1588828843 QMHYYQCDHSTWPN-GHMZBOCLSA-N 314.338 -0.652 30 20 DBED N#CCN(C1CC1)S(=O)(=O)c1cccnc1-c1nn[nH]n1 1592677768 SKENQIQUIGPDBH-UHFFFAOYSA-N 305.323 -0.062 30 20 DBED C[C@H](CS(C)(=O)=O)C(=O)N1CCC(C#N)(C(=O)O)CC1 1592813807 HSWFOAMWEBMEOC-SECBINFHSA-N 302.352 -0.116 30 20 DBED CC/N=C(/NCC)NCCCc1[nH]nc(N)c1-c1nn[nH]n1 1604347488 LJDKEANEYHFPHA-UHFFFAOYSA-N 306.378 -0.320 30 20 DBED N#Cc1nc(N2CC[C@H](N3CC=CC3)C2)cnc1-c1nn[nH]n1 1606389106 JULBCBGCUJKHDD-JTQLQIEISA-N 309.337 -0.021 30 20 DBED N#Cc1cc(C(=O)NC2(C(=O)O)CCS(=O)(=O)CC2)c[nH]1 1608193472 HHLRLHDNKZWEAG-UHFFFAOYSA-N 311.319 -0.352 30 20 DBED N#Cc1ncn(CC(=O)NC[C@@H](Oc2ccccc2)C(=O)O)n1 1608225146 HJRDGJXCSNQIHG-LLVKDONJSA-N 315.289 -0.202 30 20 DBED C=C(C)[C@H](CC(=O)NCCn1cnc(-c2nn[nH]n2)n1)OCC 1609050765 ALXDOXIQBAFXPL-JTQLQIEISA-N 320.357 -0.054 30 20 DBED N#CCNC(=O)CN[C@H](CNC(=O)[C@]1(F)CCOC1)C1CC1 1752479541 GBGYCHABLQGZLW-RISCZKNCSA-N 312.345 -0.761 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](OC)C1CC1 1752532528 LSHUXDJUTABJFT-LZWOXQAQSA-N 319.405 -0.164 30 20 DBED C#CCN1CCC[C@H](CNC(=O)CCS(=O)(=O)NC)C1 1752783721 NPOANYPGZZXVCE-GFCCVEGCSA-N 301.412 -0.613 30 20 DBED C#CCNC(=O)CN[C@@H](CNC(=O)Cc1cncn1C)C(C)C 1753842543 NANSGRXQMWKBFH-AWEZNQCLSA-N 319.409 -0.558 30 20 DBED C=CCOCCN1CC(N(C)C(=O)C(=O)NCC(F)F)C1 1754577477 WTZREWPRGVKYMN-UHFFFAOYSA-N 305.325 -0.287 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@H](CCNCC(=O)NCC)C1 1754915634 XUOGATMHEDWTMY-KGLIPLIRSA-N 309.410 -0.011 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@@H](CCNCC(=O)NCC)C1 1754915641 XUOGATMHEDWTMY-ZIAGYGMSSA-N 309.410 -0.011 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)CCCN(C)C(=O)[C@@H]1[C@H]2COC[C@H]21 1755041993 GYYWXBISEMFFTO-KBXIAJHMSA-N 321.421 -0.203 30 20 DBED C=CCN[C@]1(CO)CCCN(C(=O)CN2CC(=O)N(C)C2=O)C1 1755090080 FPKZYRBGQHJRFV-OAHLLOKOSA-N 324.381 -0.991 30 20 DBED N#CCN[C@]1(CO)CCCN(C(=O)[C@H]2CCc3nncn3C2)C1 1755090743 DBFMPXDWRAPDLH-SWLSCSKDSA-N 318.381 -0.693 30 20 DBED C[C@@H](NCC(=O)NCC#N)[C@@H](C)NC(=O)CCn1cccn1 1755227495 UOGDZJOCZIFUIM-VXGBXAGGSA-N 306.370 -0.604 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H](C)N(C)C(=O)CCn1cnnn1 1756026333 DXKVXYUQODALBW-VXGBXAGGSA-N 322.369 -0.935 30 20 DBED Cc1ccnc(C(=O)NC[C@@H](O)CN(C)C(=O)C#CC2CC2)n1 1756663785 YBLSAVSVKQSKRB-CYBMUJFWSA-N 316.361 -0.252 30 20 DBED C=CCCOCC(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2cnoc2)C1 1757025398 IMRSFFSBGVXAJI-CHWSQXEVSA-N 323.349 -0.502 30 20 DBED CC[C@@H](C#N)C(=O)N[C@@H](C)C(=O)N1CCS(=O)(=O)CC1 1771757856 GUUTXPDBXUSNFE-UWVGGRQHSA-N 301.368 -0.702 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)n1cccn1)CCO2 1783053640 NHGHWXFFIBLJIC-BBRMVZONSA-N 316.361 -0.093 30 20 DBED CC(C)[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC#N)C[C@@H]21 1784182998 AVNIIRXAAQVTIB-PWNZVWSESA-N 323.393 -0.103 30 20 DBED COC[C@H](NC(C)=O)C(=O)N1CC2(CCCN2C(=O)CC#N)C1 1842622350 CJNBPLVJXQWTMP-LBPRGKRZSA-N 322.365 -0.745 30 20 DBED CN1C(=O)CC[C@H](NS(=O)(=O)c2ccc(C#N)cc2)C1=O 90030864 WVICQTKUAXOAHS-NSHDSACASA-N 307.331 -0.016 30 20 DBED CS(=O)(=O)CCCN(CCC#N)CCN1CCOCC1 176264596 UQRKVAKOYDSUIB-UHFFFAOYSA-N 303.428 -0.031 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(C)C2CCN(C)CC2)C1=O 264323853 YGVMGLVZQAGYRP-UHFFFAOYSA-N 322.365 -0.484 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](CCO)C(C)C)C1=O 268904373 RSYOYMGWTRFLDP-SNVBAGLBSA-N 311.338 -0.514 30 20 DBED C#CCN(CC#N)C(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 281473466 GVOWOBROOKMPEN-OXHZDVMGSA-N 315.329 -0.476 30 20 DBED CN(CCCc1n[nH]c(N)c1C#N)c1ccc(C(N)=O)nn1 301526051 NHQBCOYMARYPOK-UHFFFAOYSA-N 300.326 -0.179 30 20 DBED C[C@H](O)CN1CCN(/C(O)=N/[C@@H]2CCc3ncnn3C2)[C@@H](C)C1 329257321 BXOCGQAYTIDMFQ-RWMBFGLXSA-N 322.413 -0.106 30 20 DBED C[C@H](CN1CCN(C)CC1)/N=C(/O)N(C)[C@H]1CCN(C)C1=O 329468070 XCELHSNOCDOANY-OLZOCXBDSA-N 311.430 -0.301 30 20 DBED C[C@@H]1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC[S@]1=O 330251975 NXWNBMJLDOQKRE-AOUSDQRYSA-N 310.379 -0.697 30 20 DBED C[C@@H](N/C(O)=N/CC(=O)N1CCOCC1)C(=O)NC(C)(C)C 330680090 NGUFGHWGTBOCIW-SNVBAGLBSA-N 314.386 -0.348 30 20 DBED CN(C)S(=O)(=O)CCCS(=O)(=O)N[C@H]1CCC[C@H]1C#N 331335190 JUHYSIDSMURFIB-QWRGUYRKSA-N 323.440 -0.120 30 20 DBED CCO[C@@H]1C[C@@](CO)(NC(=O)Cn2cnc(C#N)n2)C1(C)C 332035893 PCIULFSKZYFLGB-YGRLFVJLSA-N 307.354 -0.168 30 20 DBED N#C[C@H]1CN(S(=O)(=O)N2CCOC[C@H]2C2CC2)CCO1 336887387 GYVLMUWVKZXHOH-RYUDHWBXSA-N 301.368 -0.434 30 20 DBED N#C[C@H]1CN(S(=O)(=O)N2CCC3(CCOCC3)C2)CCO1 337056803 CRZXFNNGUKNEFB-LBPRGKRZSA-N 315.395 -0.042 30 20 DBED CC[C@@H](C)N(C)CCNS(=O)(=O)N1CCO[C@@H](C#N)C1 337094925 PKEPTSKJVSHBPC-NEPJUHHUSA-N 304.416 -0.225 30 20 DBED C[C@@H](CO)N(C)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N 338923725 DBUDVFCDDSOSMZ-VIFPVBQESA-N 307.354 0.287 30 20 DBED CN(C)C(=O)C1(CNC(=O)NCC(=O)NCC#N)CCCC1 344671448 LQPHFVVFAAQDTO-UHFFFAOYSA-N 309.370 -0.426 30 20 DBED C=CCN(CCOC)C(=O)Cn1cc(S(N)(=O)=O)cn1 345193978 AVXXLQHDTSXREM-UHFFFAOYSA-N 302.356 -0.809 30 20 DBED COC(=O)CCCCCS(=O)(=O)NCC(=O)NCC#N 352512545 OVTMCDDWXUAGIW-UHFFFAOYSA-N 305.356 -0.721 30 20 DBED CCO[C@@H]1COCC[C@H]1Nc1c(C#N)c(=O)n(C)c(=O)n1C 353274571 HXFCQTFMWGEQNB-GHMZBOCLSA-N 308.338 -0.438 30 20 DBED C=CCSCCNC(=O)C(=O)NCc1cc(C(N)=O)no1 355302110 VEYRCAZDQMSPAY-UHFFFAOYSA-N 312.351 -0.575 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)c2conc2COC)CC1 362454562 JZKGPDFAOVJVAG-UHFFFAOYSA-N 322.365 -0.119 30 20 DBED N#CCNC(=O)CNC(=O)N[C@@H]1COc2ccccc2[C@@H]1O 365813306 MOMPCUYPICTGRL-MFKMUULPSA-N 304.306 -0.580 30 20 DBED C[C@@H]1CN(C(=O)NCC(=O)NCC#N)C[C@]2(CCO[C@@H]2C)O1 377047584 HFWOMQBOROZHHK-GYSYKLTISA-N 310.354 -0.396 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N1CCSC[C@@H]1C(N)=O 407972218 FMCBRNXLKRJCGQ-DTWKUNHWSA-N 306.413 -0.632 30 20 DBED COC(=O)[C@@H](CC1CC1)Nc1c(C#N)c(=O)n(C)c(=O)n1C 413492264 JDWBNGSPOQAJTP-SNVBAGLBSA-N 306.322 -0.291 30 20 DBED C=C[C@@H](CO)NC(=O)c1ccc(C(=O)N[C@H](C=C)CO)cn1 426850512 ITWIHLCBBUQEDW-NEPJUHHUSA-N 305.334 -0.365 30 20 DBED C=CCNC(=O)CNS(=O)(=O)c1c(C)nn(COC)c1C 433892045 VWPXBLAHKMGYMK-UHFFFAOYSA-N 316.383 -0.316 30 20 DBED C#CCN(C)CCCNC(=O)CNS(=O)(=O)CCCC 491708161 ZMSJAWXRHIPYNQ-UHFFFAOYSA-N 303.428 -0.223 30 20 DBED Cn1c(N2CC(OCC(F)F)C2)c(C#N)c(=O)n(C)c1=O 530717765 ALANXVFWNLALQD-UHFFFAOYSA-N 300.265 -0.574 30 20 DBED N#Cc1ccc(S(=O)(=O)N2C[C@H](O)[C@@H](CO)C2)cc1F 580725850 WNXVGNODSZODHH-SKDRFNHKSA-N 300.311 -0.329 30 20 DBED C[C@H](CN1CCN(C)CC1)NC(=O)N1CCN(CCC#N)CC1 601584166 WDGLWVCQTLVWLF-OAHLLOKOSA-N 322.457 -0.137 30 20 DBED CC(C)(C)OC(=O)[C@H]1CN(C(=O)Cn2cnc(C#N)n2)CCO1 610886362 BBLSJOHRVLLRTO-SNVBAGLBSA-N 321.337 -0.281 30 20 DBED N#Cc1ccc(S(=O)(=O)NCCN2C(=O)CNC2=O)s1 619547543 RURBSQBIFQAJLN-UHFFFAOYSA-N 314.348 -0.550 30 20 DBED CN(C)CCCCN(C)S(=O)(=O)N1CCO[C@@H](C#N)C1 619711429 CMXXDGCKHDKWRQ-LBPRGKRZSA-N 304.416 -0.271 30 20 DBED C=CCCOCCNC(=O)N1CCN(S(=O)(=O)NC)CC1 664532522 SUHGZIYNEOZAOJ-UHFFFAOYSA-N 320.415 -0.630 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)C[C@H]2CCC(=O)N2C)CC1 665757737 VARVDUCUIWGCFU-CYBMUJFWSA-N 322.409 -0.556 30 20 DBED C#CCCS(=O)(=O)N1CCC[C@H](CNS(C)(=O)=O)C1 710845983 VFKYESGODCHCSY-LLVKDONJSA-N 308.425 -0.399 30 20 DBED COC(=O)CNC(=O)COC(=O)Cc1cccc(OCC#N)c1 760634352 VDOJCXYZPBPYOB-UHFFFAOYSA-N 320.301 -0.036 30 20 DBED COc1ncnc(N)c1C=NNc1nc(O)c2cnn(C)c2n1 769819405 QIVHAVIWRXNGLB-UHFFFAOYSA-N 315.297 -0.104 30 20 DBED C=CCNC(=O)[C@H](C#N)C(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O 815909066 PZKABCUYULVELV-GRYCIOLGSA-N 315.329 -0.051 30 20 DBED C#CCN1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2O)CC1 827525972 FFQQLDFBVCUWNZ-UHFFFAOYSA-N 323.374 -0.569 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)c2coc(C)c2)CC1 831568322 GAHYANBOBYFWQP-UHFFFAOYSA-N 311.363 -0.187 30 20 DBED C#CCO[C@H](C)C(=O)O[C@@H](C)C(=O)NCCN1CCOCC1 835394197 CXJXGPYRWZVELR-QWHCGFSZSA-N 312.366 -0.595 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N[C@@H](C)Cn1cccn1 875060558 PBAIKTJIFZUJLO-STQMWFEESA-N 306.366 -0.068 30 20 DBED C#CC[C@@H](CO)NS(=O)(=O)c1cnn(C2CCOCC2)c1 882343192 QYWZPYJFJSZFBB-NSHDSACASA-N 313.379 -0.103 30 20 DBED C=C(C)CN[C@@H]1CN(C(=O)CN2CCC(=O)NC2=O)C[C@H]1C 939485827 PXVSJWYWMOXWGS-VXGBXAGGSA-N 308.382 -0.059 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@@H](NC(=O)[C@H]3COCCO3)C2)c1 939504670 LTWDVBIKKXLXAC-DGCLKSJQSA-N 318.333 -0.368 30 20 DBED C#Cc1cncc(C(=O)N2CC[C@@H](NC(=O)c3cnn[nH]3)C2)c1 941447742 JONHJEXCBOBRDU-GFCCVEGCSA-N 310.317 -0.175 30 20 DBED C=CCN1CC[C@@H](NC(=O)CN2CCC(=O)NC2=O)[C@H](C)C1 944016573 MTSXDYPKLDXRAM-VXGBXAGGSA-N 308.382 -0.059 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)c2cncn2C)C1 944658376 RHYOCTMXOATJQV-QWRGUYRKSA-N 305.338 -0.463 30 20 DBED C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)CC[C@H]1NC(=O)C(N)=O 945279316 LPAPLOUDYSCCCG-LDYMZIIASA-N 303.322 -0.662 30 20 DBED CC[C@H]1CN(C(=O)C(N)=O)CC[C@H]1NC(=O)c1ccc(C#N)[nH]1 948524530 HNCOZXWCBKOVGQ-GXSJLCMTSA-N 317.349 -0.271 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@@H]2CCN2C(=O)[C@@H]2CCC(=O)N2)c1 949283864 SGTAGZSRHZAKJB-QWRGUYRKSA-N 315.333 -0.504 30 20 DBED Cn1c(C(=O)NC[C@H]2CCN2C(=O)C#CC2CC2)cnc1O 951464659 CCOHNPLZRXGPHU-LLVKDONJSA-N 302.334 -0.130 30 20 DBED C[C@@H](C#N)C(=O)N1CC(N(C)C(=O)c2cccc(C(N)=O)n2)C1 954568563 ZLRSDLCIOUTSEI-VIFPVBQESA-N 315.333 -0.377 30 20 DBED CC(=O)N1CC[C@@H](C(=O)N(C)C2CN(C(=O)[C@H](C)C#N)C2)C1 955004500 WIXIZBKVPYMKOS-ZYHUDNBSSA-N 306.366 -0.316 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@@H](CNC(=O)c2cnnc(O)c2)C1 958164547 MFBUUCZCFJFEQF-WDEREUQCSA-N 312.757 -0.043 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2nc(C)c(C)nc2O)C1 958179499 NVLJUFOCJOSDMJ-NWDGAFQWSA-N 304.350 -0.545 30 20 DBED C=CCCn1cc(C(=O)NC[C@@H]2CN(CCF)C[C@H]2O)nn1 958468250 UUCPEIOXLSXVNM-DGCLKSJQSA-N 311.361 -0.154 30 20 DBED C=CCN1C[C@H](CNC(=O)c2cn(CC3CC3)nn2)[C@@H](O)C1 958527144 VZLSOCKVIJZXBP-JSGCOSHPSA-N 305.382 -0.103 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2cnc3c(cnn3C)c2)C1 958527188 WUYSIWOKIFTHTJ-KGLIPLIRSA-N 313.361 -0.376 30 20 DBED CC#CCN1C[C@@H](O)[C@H](CNC(=O)c2c3c(nn2C)CCC3)C1 958588835 YYGWWOULDCYQJW-IUODEOHRSA-N 316.405 -0.045 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](CNC(=O)c2cn(C)c(=O)nc2O)C1 958668143 WTAWYQSOSPKRPN-ZYHUDNBSSA-N 322.365 -0.916 30 20 DBED N#CCN1C[C@H]2[C@H](NC(=O)C[C@H]3CCCS(=O)(=O)C3)[C@H]2C1 962229027 PDOUFJIBLXXBES-NMKXLXIOSA-N 311.407 -0.229 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H](NC(=O)Cn2cncn2)CC1 965199509 RVYJTTMHIBMOTO-RYUDHWBXSA-N 304.354 -0.065 30 20 DBED Cc1n[nH]cc1C(=O)N1CC2(C1)CN(C(=O)[C@@H](C)C#N)CCO2 965478018 QBMXASGQUZTZBN-JTQLQIEISA-N 317.349 -0.069 30 20 DBED C[C@H](C#N)C(=O)N1CC2(C[C@H](NC(=O)c3cn(C)cn3)CO2)C1 965670509 SWASARWYBPEFGZ-MNOVXSKESA-N 317.349 -0.321 30 20 DBED N#Cc1cc(C(=O)N2C[C@H](O)[C@H](NC(=O)c3cnco3)C2)c[nH]1 969194289 RMUYMMCXRCMCFS-MNOVXSKESA-N 315.289 -0.510 30 20 DBED N#CCN1CCO[C@@]2(CCN(C(=O)CN3CCOCC3)C2)C1 972343594 QFZUKMBMALEUEH-HNNXBMFYSA-N 308.382 -0.855 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](CNC(=O)c2nccnc2N)C1 983215643 NGUGSDGTDSAAIB-ZJUUUORDSA-N 302.338 -0.203 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCN(C(=O)C(N)=O)[C@@H]2CC)nn1 984890401 DAAYTXOUPJFINY-GXSJLCMTSA-N 320.353 -0.941 30 20 DBED C#Cc1ccccc1CC(=O)N1CC[C@H](NC(=O)C(N)=O)[C@H]1C 989590021 ROYRQPMAUQPCMV-RISCZKNCSA-N 313.357 -0.199 30 20 DBED C#CCN1CCC(C(=O)N2C[C@@H](NCC(N)=O)C[C@H]2C)CC1 989828453 DCLHQPLMQLKDSR-OCCSQVGLSA-N 306.410 -0.604 30 20 DBED C[C@@H](C#N)C(=O)N1CCCC[C@H]1CN(C)C(=O)c1nnn(C)n1 990589438 UEIQTILLYACCRE-QWRGUYRKSA-N 319.369 -0.177 30 20 DBED N#Cc1c[nH]c(C(=O)NC2CN(C(=O)c3cnns3)C2)c1 990695678 MEPKGGHWGAEBMV-UHFFFAOYSA-N 302.319 -0.008 30 20 DBED CC(C)C(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1n1ccnn1 990817172 XEXUZHCZYSBBDQ-TUAOUCFPSA-N 304.354 -0.038 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@H](NC(=O)c2cnn[nH]2)[C@H](O)C1 991604804 TZOIFLQVQFFLSZ-GXSJLCMTSA-N 307.354 -0.292 30 20 DBED N#Cc1ccc(C(=O)N2CC(NC(=O)C34CCN(CC3)C4)C2)[nH]1 996469799 MPFJSSFVSIBRHQ-UHFFFAOYSA-N 313.361 -0.077 30 20 DBED N#CCN[C@H]1CCCN(C(=O)CN2CCCS2(=O)=O)C1 999300804 ASIKNHIAIRUEOZ-NSHDSACASA-N 300.384 -0.874 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)[C@@]2(C)CCNC2=O)C1 1000033577 OFKPJKYMNXEXIM-WQGACYEGSA-N 321.377 -0.569 30 20 DBED C#CCN1CCC(CNC(=O)[C@H]2CCN(C)S2(=O)=O)CC1 1001933974 MCHJUZNGWIBLHD-CYBMUJFWSA-N 313.423 -0.518 30 20 DBED Cc1nn[nH]c1C(=O)NC[C@H]1[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]12 1009335579 OENWMOZHKVTVNQ-DMLMCSCLSA-N 302.338 -0.293 30 20 DBED N#Cc1c[nH]c(C(=O)N2CCN(C(=O)[C@@H]3CCNC3=O)CC2)c1 1010925509 RSLNSJYMWLEFRY-LLVKDONJSA-N 315.333 -0.693 30 20 DBED C[C@H]1[C@H](NC(=O)c2ncn(C)n2)CCN1C(=O)C#CC1CC1 1011740315 ZVIKSGSGVUAEIY-CMPLNLGQSA-N 301.350 -0.052 30 20 DBED C#Cc1cncc(C(=O)N2CCC[C@H](NC(=O)C(N)=O)[C@@H]2C)c1 1015197585 ZVESLRMNZSQFIK-GWCFXTLKSA-N 314.345 -0.343 30 20 DBED C=CCN1[C@H]2CC[C@H]1CC(NC(=O)[C@@H]1CCS(=O)(=O)N1)C2 1021462349 CICALSJVYYBQID-AVGNSLFASA-N 313.423 -0.024 30 20 DBED C=CCN1CC[C@H](N2C[C@H]3[C@H](NC(=O)[C@@H]4CCCO4)[C@H]3C2)C1=O 1025668280 UNNLTFBUOKGHQK-AIEDFZFUSA-N 319.405 -0.001 30 20 DBED C#CCN1CCC[C@H]1CNC(=O)[C@H]1CC(=O)N(CCOC)C1 1027916715 RXXLNFCFGOKZBH-KBPBESRZSA-N 307.394 -0.305 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN(Cc2nnc(C)o2)C1 1030462389 UYYNJFDTRMRGMH-ZDUSSCGKSA-N 303.366 -0.224 30 20 DBED C#Cc1ccc(C(=O)NCC2CN(CC(=O)N3CCC3)C2)cn1 1032137464 RCZNIMIYOVVWHH-UHFFFAOYSA-N 312.373 -0.043 30 20 DBED CC#CCN1CC[C@@H](N(C)C(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 1033288112 BOKMQEMEPTWVCN-OCCSQVGLSA-N 315.377 -0.079 30 20 DBED CC#CCN1CCO[C@H](CNC(=O)[C@H]2CCCCN2C(N)=O)C1 1035570482 AJZUKACVSIYCJI-ZIAGYGMSSA-N 322.409 -0.240 30 20 DBED CC[C@H]1CN(C(=O)CN2CC(=O)N(C)C2=O)CC[C@H]1NCC#N 1037969293 WLVNNJWBFVQEFH-NWDGAFQWSA-N 321.381 -0.379 30 20 DBED C=CCCN1CC[C@@H]1CNC(=O)c1c[nH]nc1S(N)(=O)=O 1038683143 VVDDATLDIQOETD-SECBINFHSA-N 313.383 -0.563 30 20 DBED C#CCCCC(=O)NC[C@@]1(O)CCN(C(=O)[C@H](O)C(C)C)C1 1039574014 MQQUIUYQKWPIJO-ZBFHGGJFSA-N 310.394 -0.114 30 20 DBED C=CCCCC(=O)N1CC[C@@](O)(CNC(=O)c2cnnn2C)C1 1039610076 WZTBZHABLOYFFW-OAHLLOKOSA-N 321.381 -0.135 30 20 DBED N#Cc1cnc(N2C[C@@H](O)[C@H](NC(=O)c3cc[nH]n3)C2)c(F)c1 1040928076 HHUDSANVRMYSDZ-VXGBXAGGSA-N 316.296 -0.205 30 20 DBED N#Cc1cncc(N2C[C@@H](O)[C@H](NC(=O)CN3CCCC3)C2)n1 1041052944 HRQAVBVAMDNRMW-CHWSQXEVSA-N 316.365 -0.890 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(O)(CNC(=O)C(C)(C)F)C1 1041124997 HHLMKZHIVYCSKN-ZDUSSCGKSA-N 302.346 -0.249 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)[C@H]2C[C@H]2OCC)C1 1041686732 OFXPFHJWNTVUQZ-QWHCGFSZSA-N 308.378 -0.096 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)COCCC)C1 1041862169 POBGLXLKUBIGHD-UHFFFAOYSA-N 300.355 -0.695 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)[C@H]2CN3CCC2CC3)C1 1041959873 BZGICGZJPKQINT-AWEZNQCLSA-N 321.421 -0.016 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)C#CC(C)C)C1 1042941368 YBZFSFKGUCYHAY-CYBMUJFWSA-N 306.362 -0.626 30 20 DBED C=C(C)CCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1042978434 LZXSCCGOWPZYKJ-GHMZBOCLSA-N 311.338 -0.303 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)c3cnsn3)C2)nn1 1043864293 WNIXBGYLPRQKGM-ZJUUUORDSA-N 317.334 -0.821 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)c2c[nH]c(C#N)c2)C1 1045540568 ITWPCWHLYVVKTH-SECBINFHSA-N 301.306 -0.651 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)CCc2cscn2)C1 1045564403 GXBIUKQTEGTRMO-JTQLQIEISA-N 322.390 -0.075 30 20 DBED C#CCN1[C@H]2CC[C@H]1CN(C(=O)C[C@H]1CC(=O)NC1=O)CC2 1045903370 WWBYBKBCEAKDII-AGIUHOORSA-N 303.362 -0.262 30 20 DBED C=C(C)CN1CC[C@H](N2CCN(C(=O)[C@H]3CCNC3=O)CC2)C1 1046048662 BRNPFLRIODFIFX-GJZGRUSLSA-N 320.437 -0.083 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)Cn2ccc(C)n2)C1 1046768438 YMUXOEHLPOWOJB-UHFFFAOYSA-N 322.365 -0.916 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cn([C@@H]3CCOC3)nn2)C1 1047589145 BJDBFBFAWBLHLU-XBFCOCLRSA-N 321.381 -0.457 30 20 DBED C=C(C)CN1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C(N)=O)cn2)C1 1047645551 XPZKEKTUAZTQRG-KBPBESRZSA-N 318.377 -0.126 30 20 DBED C=CCO[C@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cnn[nH]2)C1 1049061334 KPQVRJKXLMYSPH-USWWRNFRSA-N 323.353 -0.961 30 20 DBED CC#CCN1CC[C@H]2[C@H]1CCCN2C(=O)CN1CCNC(=O)C1 1049639259 OJBGBWKVUHOIIR-CABCVRRESA-N 318.421 -0.493 30 20 DBED C[C@@H]1[C@@H](NC(=O)[C@@H]2CNC(=O)N2)CCN1c1nccnc1C#N 1050952522 SKNAZNRRGOJPNH-YWVKMMECSA-N 315.337 -0.887 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)c1c(C)c[nH]c1CC(N)=O 1051127709 RFXGRXOFCITZPM-GFCCVEGCSA-N 318.377 -0.585 30 20 DBED Cn1ccc(C(=O)NC[C@H]2CCC3(CN(CC#N)C3)O2)cc1=O 1053619302 PBSPWODINTUSJG-CYBMUJFWSA-N 316.361 -0.128 30 20 DBED C#CCN1CC2(CC[C@H](CNC(=O)c3cccn(C)c3=O)O2)C1 1053686356 OGXMQJJWNIFTPA-CYBMUJFWSA-N 315.373 -0.018 30 20 DBED N#CCN1CC[C@]2(CCCN(C(=O)C3CC(=O)NC(=O)C3)C2)C1 1054213864 MALVUHRQAIGSPP-MRXNPFEDSA-N 318.377 -0.123 30 20 DBED Cc1nn[nH]c1C(=O)N[C@@]1(CO)CCCN(C(=O)[C@@H](C)C#N)C1 1056034511 XMINJSYBIPVTLE-XPTSAGLGSA-N 320.353 -0.644 30 20 DBED C=CCC(CC=C)C(=O)N1CCC[C@](CO)(NC(=O)C(N)=O)C1 1056088247 RTDOKVFVQAANBX-INIZCTEOSA-N 323.393 -0.290 30 20 DBED C[C@H]1CCCN1CC(=O)NCCN(CCO)C(=O)C#CC1CC1 1057535800 WSRGHIULFSPCKH-AWEZNQCLSA-N 321.421 -0.179 30 20 DBED C#CCC1(C(=O)N(CCO)CCNC(=O)CNC(C)=O)CCC1 1057821030 UYXONKKVPJXMKC-UHFFFAOYSA-N 323.393 -0.747 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)c1ncccc1F 1058542217 GQOGFXZHKSHCRB-SNVBAGLBSA-N 308.313 -0.069 30 20 DBED CC(C)(C(N)=O)C(=O)N1CC[C@H](Nc2nccnc2C#N)C1 1058988449 JYDBLUUYSUAUSD-VIFPVBQESA-N 302.338 -0.127 30 20 DBED N#Cc1nc(=N[C@H]2C[C@@H](NC(=O)[C@@]3(F)CCOC3)C2)cc[nH]1 1059796998 GKZGBWAWKNWUML-ISTVAULSSA-N 305.313 -0.042 30 20 DBED CCOCC(=O)NC[C@H]1COCCN1C(=O)CSCC#N 1061235894 JHGYLJHFYWUAGU-NSHDSACASA-N 315.395 -0.377 30 20 DBED C=CCCC(=O)N1CCOC[C@@H]1CNC(=O)C(C)(C)C(N)=O 1061659102 QTXKXZFDXYQJSC-NSHDSACASA-N 311.382 -0.192 30 20 DBED C=C[C@@H](CC)CC(=O)NC[C@@H]1COCCN1C(=O)CC(N)=O 1061797782 QGUOMEZKKCKSTK-NWDGAFQWSA-N 311.382 -0.192 30 20 DBED C#CCNC(=O)CC(=O)NC1(CNC(=O)COCC)CCC1 1062446299 RBKKBCZMZDHFTH-UHFFFAOYSA-N 309.366 -0.683 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1(CNC(=O)CC(=O)NC)CCC1 1062845265 XNIPYNCNYPHDON-NEPJUHHUSA-N 323.393 -0.131 30 20 DBED CNC(=O)NCCC(=O)NC1(CNC(=O)[C@H](C)C#N)CCC1 1064306538 KRBOIQKMWZYAHX-SNVBAGLBSA-N 309.370 -0.380 30 20 DBED N#Cc1ccc(N2CC[C@H]3CCN(C(=O)CC(N)=O)C[C@H]32)nn1 1064674576 IAHYEOBWYLXKNE-ZYHUDNBSSA-N 314.349 -0.349 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CN(C(=O)COCC2CC2)CCO1 1064900328 QVSRKUAFJQQBBF-DGCLKSJQSA-N 309.366 -0.084 30 20 DBED Cc1nn(C)cc1C(=O)N1CCO[C@@H](CNC(=O)[C@H](C)C#N)C1 1064986795 UIUOXWFRZLMVCT-PWSUYJOCSA-N 319.365 -0.155 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@H](CNC(=O)C(C)(C)C(N)=O)C1 1065557916 WVSMWHUAMSWSDA-NXEZZACHSA-N 310.354 -0.999 30 20 DBED O=C(C#CC1CC1)N[C@H]1CCCN(C(=O)[C@H]2CNC(=O)N2)CC1 1066152863 LDNJZIYKVVZANI-QWHCGFSZSA-N 318.377 -0.422 30 20 DBED N#Cc1nccnc1N1C[C@@H](O)[C@H](CNC(=O)c2ccon2)C1 1067652310 BOIBHOFZOVLHJB-BXKDBHETSA-N 314.305 -0.437 30 20 DBED N#Cc1cnc(N2C[C@@H]3C(CNC(=O)c4cnn[nH]4)[C@H]3C2)cn1 1068209939 PFWKSQZRIKMNDT-GHMZBOCLSA-N 310.321 -0.421 30 20 DBED Cc1cc(C(=O)N2CC3(C[C@H](NC(=O)[C@H](C)C#N)CO3)C2)n[nH]1 1069004640 XYRUEVPXUYPMPI-KOLCDFICSA-N 317.349 -0.023 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)C[C@H]2COC(=O)C2)C1 1069910028 BEEHERSISPZXHA-UPJWGTAASA-N 317.349 -0.794 30 20 DBED Cc1cn(C)nc1C(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1 1069925990 ILYHEGBPLVCTPH-NEPJUHHUSA-N 314.353 -0.501 30 20 DBED C=CCN[C@@H]1CN(C(=O)c2nccnc2N)C[C@@H]1n1ccnn1 1070163204 QHPPADGHBZSNAO-MNOVXSKESA-N 314.353 -0.508 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2cccc(O)n2)C[C@@H]1n1ccnn1 1070167439 UHBJRFWGTAFTQO-OLZOCXBDSA-N 312.333 -0.333 30 20 DBED C=CCN1CC[C@]2(C1)CN(C(=O)Cn1ncnn1)C[C@H](C)O2 1071168755 HFKBIBIJSSFJJF-JSGCOSHPSA-N 306.370 -0.449 30 20 DBED C=CCOCC(=O)N1C[C@H](C)[C@H](NC(=O)c2c[nH]c(=O)cn2)C1 1071809639 WXNBQGIEWXGTTG-CMPLNLGQSA-N 320.349 -0.451 30 20 DBED C[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1NC(=O)C(C)(C)C(N)=O 1072038588 GXZJDQSAYMBXSH-JQWIXIFHSA-N 305.378 -0.126 30 20 DBED CCC(=O)NCC(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1C 1072049757 WFNDJTIEEDZBOM-WCQYABFASA-N 305.378 -0.111 30 20 DBED CNC(=O)NCCC(=O)N1CCC(C)(NC(=O)[C@H](C)C#N)CC1 1073000156 HXVVSTQXIBSRLB-LLVKDONJSA-N 323.397 -0.038 30 20 DBED C#CCCN1CCCO[C@@H](CNC(=O)[C@H]2COCCN2C)C1 1073578233 HFQQQLJHOCMIIU-LSDHHAIUSA-N 309.410 -0.453 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)Cn3ccccc3=O)C[C@H]21 1074408044 PBBODRXKUAYBQW-CABCVRRESA-N 315.373 -0.217 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CN(Cc3cnon3)C[C@H]2O)c[nH]1 1076907529 SBZZZEUISFOIEA-VXGBXAGGSA-N 302.294 -0.756 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@H](C)NC(=O)Cn1ncnn1 1078535307 KNLQVZSBTGTDKT-TUAOUCFPSA-N 322.369 -0.725 30 20 DBED C=CCN[C@@H]1C[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C12CCC2 1078628143 AZQOVTGFRHCKHJ-GHMZBOCLSA-N 318.381 -0.420 30 20 DBED C=CCCOCC(=O)N1CC(N(CC)C(=O)CNC(N)=O)C1 1079284201 BLKKGGXEFDLPPI-UHFFFAOYSA-N 312.370 -0.693 30 20 DBED C#CCCCC(=O)N1CC(N(CC)C(=O)Cn2cnnn2)C1 1079288271 IFEMJJFHNSGFGS-UHFFFAOYSA-N 304.354 -0.464 30 20 DBED C#CCNC(=O)CC(=O)N1CC(N(CC)C(=O)[C@@H](C)COC)C1 1079483254 FUONMRUUVYJERQ-LBPRGKRZSA-N 323.393 -0.532 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1ccc(-n2cnnn2)cn1 1080188920 XHUOUWGMJJGORA-ZWNOBZJWSA-N 312.337 -0.369 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2ccccn2)C1 1081169598 NUKCYZRSDGYLTB-TZMCWYRMSA-N 319.361 -0.167 30 20 DBED C=CCN1CC[C@@H](N2C[C@@H](NC(=O)C(F)F)[C@H](OC)C2)C1=O 1081247068 RBZMWGPZURQILX-GMTAPVOTSA-N 317.336 -0.146 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2ccc[nH]2)C1 1081247716 GSUPQBBLNAOLME-WCQYABFASA-N 307.350 -0.234 30 20 DBED CCCN(C)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C#CC(C)C)C1 1081463678 QKKAENAZEXFQTN-LSDHHAIUSA-N 323.437 -0.077 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C23CCN(CC2)C3)C1 1081618789 VPWMISMVVABXDB-UONOGXRCSA-N 321.421 -0.016 30 20 DBED C=C(C)CCN1C[C@@H](NC(=O)Cn2ncn(C)c2=O)[C@H](OC)C1 1081873383 SHTPFDHFXOMKGI-CHWSQXEVSA-N 323.397 -0.637 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1ccc2nnc(C)n2c1 1081878503 PCDCQEXFUGFULA-CHWSQXEVSA-N 314.349 -0.010 30 20 DBED CC#CCN1C[C@@H](NC(=O)c2cccn(C)c2=O)[C@H](OC)C1 1082332004 OTTFKIASELHKIG-ZIAGYGMSSA-N 303.362 -0.162 30 20 DBED C#CCN1C[C@@H](NC(=O)c2cnn(CCOC)c2)[C@H](OC)C1 1082347985 DBEYWTQBKLYXGN-ZIAGYGMSSA-N 306.366 -0.408 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1cccnc1C(N)=O 1082381087 VQCWETGQMPEHOV-GHMZBOCLSA-N 303.322 -0.867 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)C[C@@H]2COc3ccccc3O2)C1 1083494172 NEWNVAIAYWRNIU-UPJWGTAASA-N 317.345 -0.099 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN(CCS(C)(=O)=O)C[C@@H]2O)C1 1083756466 VUDOLVVPOBUENI-NEPJUHHUSA-N 316.423 -0.451 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)C2(N3CCOCC3)CCC2)C1 1083901818 QCOGDWCXUPFTCZ-KGLIPLIRSA-N 309.410 -0.411 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)c2cn([C@@H]3CCOC3)nn2)C1 1083929823 NLRFACVQJTXHIJ-BZPMIXESSA-N 321.381 -0.410 30 20 DBED CC(=O)N1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NCC#N)C1 1085410986 XNJAQVHWKLQPMM-MGPQQGTHSA-N 308.382 -0.226 30 20 DBED CN(C[C@H]1CCN1CC#N)C(=O)[C@H]1CN2CC3CC2(CO1)C3 1085731453 AZPUPOMEHDSANB-MYMJJRTCSA-N 304.394 -0.094 30 20 DBED CN1C(=O)CN(CC(=O)N2C[C@H]3CCN(CC#N)C[C@H]3C2)C1=O 1088169406 UUACGYVCDPHPHI-NEPJUHHUSA-N 319.365 -0.816 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)Cn1ncnn1)Nc1ccc(C#N)nn1 1089401781 ZAPIKSOCJUUZBI-VHSXEESVSA-N 315.341 -0.270 30 20 DBED COc1cc(C)nc(N2C[C@@H](O)[C@H](NC(=O)[C@@H](C)C#N)C2)n1 1090391747 LJXBPQSZQFLCRU-JMJZKYOTSA-N 305.338 -0.381 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2cnn3c2OCCC3)[C@H](O)C1 1090395842 GSVYVXOEZUHONC-VXGBXAGGSA-N 305.338 -0.646 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2ccc3nnc(O)n3c2)[C@@H](O)C1 1090636829 DACNUGAKXDMRSH-MNOVXSKESA-N 316.321 -0.877 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)c2ccc(=O)n(C)n2)[C@H](O)C1 1090791911 XKWHCQXNMUZPPT-DGCLKSJQSA-N 306.366 -0.479 30 20 DBED C#CCN1CCC(C(=O)N[C@@H]2CCN(CCF)C[C@H]2O)CC1 1090831912 XHGSZNYPTSOVHK-HUUCEWRRSA-N 311.401 -0.148 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2cc(C(N)=O)cs2)[C@@H](O)C1 1090834777 ZZOZMZGKZKAMOW-MNOVXSKESA-N 307.375 -0.355 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CN(c2ncnc3[nH]cnc23)C[C@@H]1O 1091079112 KEKPGCYHUBCIQH-YIZRAAEISA-N 301.310 -0.822 30 20 DBED CN(C)CCC(=O)N[C@@H]1CCN(c2cncc(C#N)n2)C[C@@H]1O 1092175241 ZGWDDCSBTCVSFW-OLZOCXBDSA-N 318.381 -0.644 30 20 DBED COC[C@@H](OC)C(=O)N1CCN(c2nccnc2C#N)CC1 1093193280 HFMUFLHFPFMMLE-GFCCVEGCSA-N 305.338 -0.342 30 20 DBED C#CCN1CC(OC2CCN(C(=O)c3nccnc3N)CC2)C1 1093518945 DUUPOVIFCGXJAZ-UHFFFAOYSA-N 315.377 -0.003 30 20 DBED N#Cc1ccc(NCCNC(=O)CN2C(=O)CCC2=O)nc1 1093626160 ZXFWOUFKOQPYHV-UHFFFAOYSA-N 301.306 -0.370 30 20 DBED Cn1cnnc1COCC(=O)NCCNc1cncc(C#N)n1 1093837987 JFTPEWSVIPDSQT-UHFFFAOYSA-N 316.325 -0.778 30 20 DBED N#Cc1c[nH]ccc1=NCCNC(=O)c1cccn2nnnc12 1093897406 VDBUXTGDOURESE-UHFFFAOYSA-N 308.305 -0.345 30 20 DBED N#Cc1cnc(NCCCNC(=O)C[C@@H]2CC(=O)NC2=O)cn1 1094485649 NMHDFLJDKAKJSL-SECBINFHSA-N 316.321 -0.681 30 20 DBED CC(C)[C@@H](F)C(=O)N1CCN(CC#N)[C@H]2CS(=O)(=O)C[C@H]21 1094653167 DRLLNTUZRQPZMH-QJPTWQEYSA-N 317.386 -0.186 30 20 DBED CC#CCN1CC(N2C[C@@H](NC(=O)c3ccncn3)CC2=O)C1 1094799049 FLMSPDHLHFAMFR-LBPRGKRZSA-N 313.361 -0.485 30 20 DBED C[C@@H](CC(N)=O)C(=O)N1CC[C@H](N(C)c2ccnc(C#N)n2)C1 1095150005 KXTCKLQNPRTCDG-QWRGUYRKSA-N 316.365 -0.103 30 20 DBED C[C@H](NC(N)=O)C(=O)N1CCC[C@H](Nc2cncc(C#N)n2)C1 1095290798 NDPPIKVLJLWFON-UWVGGRQHSA-N 317.353 -0.192 30 20 DBED COC(=O)NCC(=O)NC1CCN(c2ccnc(C#N)n2)CC1 1095394344 KACKPPSBIGPJIA-UHFFFAOYSA-N 318.337 -0.211 30 20 DBED CCC(=O)NCC(=O)NC1CCN(c2ccc(C#N)nn2)CC1 1095397889 LEKTUZVJLFCLIF-UHFFFAOYSA-N 316.365 -0.041 30 20 DBED CN(CCCNC(=O)[C@H]1CCCNC1=O)c1ccc(C#N)nn1 1095665302 HRCGFTURAPOWMG-LBPRGKRZSA-N 316.365 -0.183 30 20 DBED CN(C)C(=O)CC(=O)N[C@H]1CCCN(c2cnc(C#N)cn2)C1 1096238421 XSJUHGLYDVTYCW-NSHDSACASA-N 316.365 -0.088 30 20 DBED CC(=O)N[C@@H](C)C(=O)N[C@H]1CCN(c2cncc(C#N)n2)C1 1096317704 YEKQDVLPRWFOHA-ONGXEEELSA-N 302.338 -0.432 30 20 DBED C[C@H](CNC(=O)CN1CCOCC1)Nc1cncc(C#N)n1 1097782323 FVGAFQFCVITERA-LLVKDONJSA-N 304.354 -0.403 30 20 DBED C#CCN(CCO)C1CCN(C(=O)Cc2n[nH]c(C)n2)CC1 1098363851 CUBLEACZKPNYGK-UHFFFAOYSA-N 305.382 -0.426 30 20 DBED C[C@@H](CNC(=O)CN1CCCNC1=O)N=c1cc[nH]c(C#N)n1 1098420681 SYOBYDIGOMQOJE-JTQLQIEISA-N 317.353 -0.898 30 20 DBED CNC(=O)CC(=O)N1CCC[C@@H](N(C)c2ccc(C#N)nn2)C1 1098683573 DSZYGKAWVULMJB-GFCCVEGCSA-N 316.365 -0.088 30 20 DBED C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 1099057183 QONKZZMFCJOSGW-PGUXBMHVSA-N 306.366 -0.259 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)C2CCCCC2)[C@@H](O)C1 1099622718 CGOTUEDNLNLFRK-CABCVRRESA-N 321.421 -0.133 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CCN(CCCCC)C[C@@H]1O 1099788002 ANISQBSSLHNYEU-KBPBESRZSA-N 309.410 -0.133 30 20 DBED CN(CCNC(=O)c1c[nH]c(C#N)c1)c1ccc2nnnn2n1 1100037895 YPTVCFFMHRXWGH-UHFFFAOYSA-N 311.309 -0.415 30 20 DBED Cc1cc(C#N)nc(N(C)CCNC(=O)[C@@H]2COC(=O)N2)n1 1100049817 VQLPASIIPMBJQR-JTQLQIEISA-N 304.310 -0.683 30 20 DBED N#CCN1CC[C@@H](NC(=O)CCNC(=O)c2ccco2)[C@@H](O)C1 1100101079 GJYHEOVHMYLZSX-NEPJUHHUSA-N 320.349 -0.526 30 20 DBED N#Cc1cccnc1N1CC[C@H](CCNC(=O)CNC(N)=O)C1 1102283154 OEXMYIPTLXHOGN-NSHDSACASA-N 316.365 -0.046 30 20 DBED CC[C@@H](CNC(=O)c1[nH]nnc1C)N=c1cc[nH]c(C#N)n1 1103257990 NFTXZMCLAZEIAL-VIFPVBQESA-N 300.326 -0.183 30 20 DBED C=CCNCc1cn(C2CN(C(=O)[C@@H]3CCNC(=O)C3)C2)nn1 1105209955 YRAIECYAZDYAMF-LLVKDONJSA-N 318.381 -0.537 30 20 DBED C=C(C)C[C@@H](C)C(=O)N1CC(n2cc(CNCC(N)=O)nn2)C1 1105309916 IDBGROFVKLWYDO-LLVKDONJSA-N 320.397 -0.161 30 20 DBED CN(CCN(C)c1ccncc1C#N)C(=O)C1CS(=O)(=O)C1 1105479499 GDWKBKBJGYOKQI-UHFFFAOYSA-N 322.390 -0.108 30 20 DBED N#Cc1cnc(NC[C@H](O)CNC(=O)Cn2cccn2)cn1 1105722336 MIHQYYNRNKMGHM-NSHDSACASA-N 301.310 -0.866 30 20 DBED COCc1nc(C)cc(NC[C@H](O)CNC(=O)[C@@H](C)C#N)n1 1105771986 VOWTWQQAZVEPGT-ONGXEEELSA-N 307.354 -0.020 30 20 DBED CC(C)OCCC(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1 1105778108 MIONLUNSECGYTD-NSHDSACASA-N 307.354 -0.526 30 20 DBED CCN(CC)CC(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1 1105869682 YOXQUFUPKPDPFQ-LLVKDONJSA-N 306.370 -0.999 30 20 DBED Cc1nc(NC[C@H](O)CNC(=O)[C@H]2CCNC2=O)ccc1C#N 1106052125 TXKOXXGKYZMPCL-RYUDHWBXSA-N 317.349 -0.713 30 20 DBED Cc1ncc(C(=O)NC[C@@H](O)CNc2ccc(C#N)nn2)n1C 1106092711 LMGVMHZWPCKBCK-NSHDSACASA-N 315.337 -0.407 30 20 DBED C[C@@]1(C(=O)NC[C@H](O)CNc2ncccc2C#N)CCNC1=O 1106104091 HLOZIUUJQCQRTN-IAQYHMDHSA-N 317.349 -0.632 30 20 DBED CC(C)NC(=O)CN(C)CC(=O)N1C[C@@H](C)[C@H](CNCC#N)C1 1106373622 LWTXGCGHMHGLBM-ZIAGYGMSSA-N 323.441 -0.350 30 20 DBED N#Cc1nccnc1NC/C=C/CNC(=O)[C@H]1CCC(=O)N1 1107115958 VTFGJSKKIPBPTM-TXXBHVLJSA-N 300.322 -0.289 30 20 DBED CN1CCOC[C@H]1C(=O)NC/C=C/CNc1cncc(C#N)n1 1107161545 JYXICWWNAQXSMR-IBUXWKBASA-N 316.365 -0.237 30 20 DBED C=CCCOCC(=O)NCc1cn(C2CN(CCOC)C2)nn1 1107241135 NXFAKICMNSQUKA-UHFFFAOYSA-N 323.397 -0.010 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)CNc1nccc(OC)n1 1107695641 POBMJAGUIZINGK-SNVBAGLBSA-N 305.338 -0.459 30 20 DBED C[C@H]1CCN(C(=O)C(=O)N[C@H](C)CN=c2cc[nH]c(C#N)n2)C1 1107918788 ASVMTHORWWXGPH-WDEREUQCSA-N 316.365 -0.445 30 20 DBED C=CCN1CCO[C@](C)(CNC(=O)CCNS(C)(=O)=O)C1 1107980537 UCAXZSXPRPLZSC-CYBMUJFWSA-N 319.427 -0.681 30 20 DBED CC#CCN1CCO[C@](C)(CNC(=O)C2CC(=O)NC(=O)C2)C1 1108277931 BOGMQBMVMVDSGM-MRXNPFEDSA-N 321.377 -0.730 30 20 DBED C=C(C)CN1CCO[C@@](C)(CNC(=O)CCn2cnnn2)C1 1108301249 OCMWBHDZUSIKAK-AWEZNQCLSA-N 308.386 -0.154 30 20 DBED C=CCCC(=O)N[C@@H]1CC(=O)N(C2CN([C@H](CC)C(N)=O)C2)C1 1108520730 ZJHDHXQWNKQSKS-DGCLKSJQSA-N 322.409 -0.382 30 20 DBED C[C@@H](CN(C)c1cnc(C#N)cn1)NC(=O)C[C@H]1CCC(=O)N1 1109007389 QYQULHTZBIYSER-WDEREUQCSA-N 316.365 -0.042 30 20 DBED C[C@H](CN(C)c1nccnc1C#N)NC(=O)CCn1cnnn1 1109054404 UNEIAFMAHVFVPJ-SNVBAGLBSA-N 315.341 -0.634 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1nc(=O)n(C)[nH]1 1109080038 JFVALYNBUPIBNN-VLEAKVRGSA-N 304.354 -0.510 30 20 DBED C[C@H](CN(C)c1nccnc1C#N)NC(=O)[C@H]1CCCC(=O)N1 1109131186 DDEDMEFCVVAZCM-GHMZBOCLSA-N 316.365 -0.042 30 20 DBED C[C@@H](CN(C)c1nccnc1C#N)NC(=O)[C@H]1CC(=O)N(C)C1 1109296231 UDJAPKVGWYQWRM-QWRGUYRKSA-N 316.365 -0.233 30 20 DBED CN(CCCN=c1cc[nH]cc1C#N)C(=O)[C@@H]1COC(=O)N1 1109424830 VYGWLCHSPAFSSQ-LBPRGKRZSA-N 303.322 -0.256 30 20 DBED CCNC(=O)CC(=O)NCC1(Nc2ccnc(C#N)n2)CC1 1110105565 HOICMJSWSSQRMY-UHFFFAOYSA-N 302.338 -0.065 30 20 DBED C=CCOCCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CNC(=O)NC 1110630478 DXDCVYLMEZRUEX-UPJWGTAASA-N 310.398 -0.161 30 20 DBED CN(CCCN(C)c1ccc(C#N)nc1)C(=O)CNC(N)=O 1112033859 CRFBLKYQDWTQKO-UHFFFAOYSA-N 304.354 -0.094 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CCC[C@]2(CNCC(=O)NC(N)=O)C1 1112286760 GUFWOWAMSHQEED-PGUXBMHVSA-N 321.381 -0.441 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1O 1112701705 KNAJKTQSJKVOGS-DGCLKSJQSA-N 317.349 -0.536 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(c2ccnc(C)n2)C[C@H]1O 1112702609 SWJRJUSCVQCYOX-CHWSQXEVSA-N 306.366 -0.099 30 20 DBED C[C@H](NC(=O)Cn1cnnn1)[C@H](C)Nc1ncccc1C#N 1112905761 QYZFVFFMDCBKSV-UWVGGRQHSA-N 300.326 -0.055 30 20 DBED C[C@@H](CNC(=O)[C@H]1CN(C)CCO1)N(C)c1ccc(C#N)nn1 1113534259 WWWUTVVSWKRDJC-WCQYABFASA-N 318.381 -0.380 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)c2c(C)nn(C)c2F)CC1 1113589737 BTYSEFQEUGDBRC-UHFFFAOYSA-N 323.372 -0.072 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)c2[nH]cnc2CC)CC1 1113592895 YFOACCUQTFJDNX-GFCCVEGCSA-N 317.393 -0.132 30 20 DBED C[C@@H](CC(=O)NC[C@@H](C)N(C)c1nccnc1C#N)NC(N)=O 1113720826 UVHBZIITDPDHIG-VHSXEESVSA-N 319.369 -0.264 30 20 DBED N#Cc1ccc(CN2C[C@H]3C(NC(=O)CNC(N)=O)[C@@H]3C2)s1 1113850017 OPEOLYQDUFADFM-GHMZBOCLSA-N 319.390 -0.166 30 20 DBED C[C@@H](CNC(=O)[C@H]1CC(=O)N(C)C1)N(C)c1ccc(C#N)nn1 1113943761 MZTZREKUYIAIPK-QWRGUYRKSA-N 316.365 -0.233 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)c3cn(C)cn3)[C@H]2C1 1114136190 DQQZIXYWXWBRFA-SRVKXCTJSA-N 315.377 -0.782 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@H]2CN(CCCOCC)C[C@H]12 1114170381 PPLNTQFZLCLGNF-STQMWFEESA-N 307.394 -0.401 30 20 DBED C#CCO[C@H](C)C(=O)NC1[C@H]2CN(Cc3cnnn3C)C[C@H]12 1114270419 FDZYYGAAKCJUBU-WXHSDQCUSA-N 303.366 -0.600 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3cc(C)co3)[C@H]2C1 1114710916 MUCZUOXINTYQHF-RYUDHWBXSA-N 301.346 -0.003 30 20 DBED C=C(C)C[C@@H](C)C(=O)N[C@H]1[C@@H]2CN(CC(=O)NC(N)=O)C[C@@H]21 1114722873 PICBTYIVMXKKSA-DCQANWLSSA-N 308.382 -0.170 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)c3nc(C)c[nH]3)[C@H]2C1 1114949613 OQXZIVREXWZMPX-QWRGUYRKSA-N 303.366 -0.320 30 20 DBED CCOC(=O)CC[C@]1(C)NC(=O)N(CC(=O)NCC#N)C1=O 1117278007 PMYXQLHOGQUKCQ-ZDUSSCGKSA-N 310.310 -0.720 30 20 DBED N#Cc1c[nH]ccc1=N[C@H](CO)CNC(=O)C[C@H]1CCCO1 1121099678 KWPNCMKGACNEQI-QWHCGFSZSA-N 304.350 -0.167 30 20 DBED C[C@H](C(=O)NC[C@H](CO)Nc1nccnc1C#N)n1cccn1 1121213990 WDJBSVQVUIHSRF-GHMZBOCLSA-N 315.337 -0.305 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)C[C@@H]2COC(=O)C2)nc1 1121304430 XNFPQTOVRSGVKI-RYUDHWBXSA-N 318.333 -0.205 30 20 DBED C[C@H](NC(N)=O)C(=O)NC[C@H](CO)Nc1cccc(F)c1C#N 1121375361 AHEXWQYJBLOOBU-DTWKUNHWSA-N 323.328 -0.357 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)C2CCC(O)CC2)nn1 1121497882 REPQVLTZYZFCOX-YDGIUTOCSA-N 319.365 -0.212 30 20 DBED CC(C)N(C)CC(=O)NC[C@H](CO)Nc1nccnc1C#N 1121668289 GDIJETKLQCIZSP-LLVKDONJSA-N 306.370 -0.423 30 20 DBED CC[C@H](C(=O)NC[C@@H](CO)Nc1cnc(C#N)cn1)N(C)C 1121812103 KBKYYXBXOOQHLD-NWDGAFQWSA-N 306.370 -0.423 30 20 DBED CNC(=O)NCC(=O)NC[C@H](CO)Nc1nc(C)ccc1C#N 1122784724 SBAUXPUDXSVJIL-LLVKDONJSA-N 320.353 -0.920 30 20 DBED CN(C[C@@H](O)CNc1cncc(C#N)n1)C(=O)[C@@H]1CCCN1C 1124206784 DHMMFOLGWWJJLE-STQMWFEESA-N 318.381 -0.326 30 20 DBED CNC(=O)CC(=O)N(C)C[C@@H](O)CNc1ccc(C#N)nc1 1124257107 PWDPEJHDJWERHK-LBPRGKRZSA-N 305.338 -0.679 30 20 DBED CNC(=O)CC(=O)NCCN(CCOC)c1ccncc1C#N 1126308170 LHFIQMNDGFIJIQ-UHFFFAOYSA-N 319.365 -0.342 30 20 DBED C#CCN[C@@H]1CN(C(=O)COCC(F)F)C[C@@H]1n1ccnn1 1129948066 XOQGHPAQQMECEY-MNOVXSKESA-N 313.308 -0.466 30 20 DBED C=C(C)CN[C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1c1cncn1C 1130906653 XWGUYBPPOSETAZ-VXGBXAGGSA-N 320.397 -0.452 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1ccnc2[nH]c(C)nc12 1131595600 XPZJPQCTWXIWDT-UHFFFAOYSA-N 314.349 -0.665 30 20 DBED C[C@H]1CCN(C(=O)CN2CCNC(=O)C2)C[C@H]1CNCC#N 1133030345 BGPKAUPDYRGDTM-QWHCGFSZSA-N 307.398 -0.984 30 20 DBED C#CCNC(=O)CNC[C@H]1CN(C(=O)c2nc[nH]n2)CC[C@H]1C 1133178674 VXUZXGCXFIUUFC-NEPJUHHUSA-N 318.381 -0.758 30 20 DBED C[C@@H](C[C@@H](C)NCC(=O)NCC#N)NC(=O)Cc1cnn(C)c1 1133897326 SVLOGSADHDKNFL-NEPJUHHUSA-N 320.397 -0.525 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)c1cnn(C)c1N 1134152447 OKVKJNPOPXDTLP-GHMZBOCLSA-N 320.397 -0.762 30 20 DBED C=CCCn1cc(C(=O)NCCN[C@H](C)C(=O)N(C)C)nn1 1135075212 BQIACOIJVMMMRH-LLVKDONJSA-N 308.386 -0.350 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)C1(C(=O)NC)CC1 1135664421 GIIBRWHPYMFKAQ-NEPJUHHUSA-N 322.409 -0.865 30 20 DBED C=CCN1CCC2(C1)CN(C(=O)CCNS(C)(=O)=O)C2 1147657873 GALJLBFJYSSEBZ-UHFFFAOYSA-N 301.412 -0.354 30 20 DBED C=CCN1CCCO[C@H](CNC(=O)[C@H](C)S(C)(=O)=O)C1 1149904060 QGDDLCWFHSANNF-NWDGAFQWSA-N 304.412 -0.187 30 20 DBED N#CCN1CCCO[C@@H](CNC(=O)COC[C@H]2CCOC2)C1 1150394930 NOZPDYGHKOYCOO-KBPBESRZSA-N 311.382 -0.230 30 20 DBED C=CCOCCN1CCCO[C@@H](CNC(=O)c2nc[nH]n2)C1 1150461899 LAHVJYOMVRQYFZ-LBPRGKRZSA-N 309.370 -0.172 30 20 DBED C=CCCOCC(=O)NCCNCCN(C)S(C)(=O)=O 1153086277 VIJJOYNFFDQTOH-UHFFFAOYSA-N 307.416 -0.824 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)[C@H]1OCC[C@H]1C 1155317718 SRTHLEACWUHWDA-NFAWXSAZSA-N 309.410 -0.013 30 20 DBED C#CCOCCC(=O)NCCCNCC(=O)N(C)CC1CC1 1157852867 LADVUIJCNSHGHW-UHFFFAOYSA-N 309.410 -0.009 30 20 DBED COCC#CCNCCCNC(=O)[C@@H]1CCCCS1(=O)=O 1159839267 WOLUYNAECGDROE-ZDUSSCGKSA-N 316.423 -0.301 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)[C@@]1(C)CCNC(=O)C1 1160905349 XQMPXLZCVFKOBY-LRDDRELGSA-N 324.425 -0.311 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)C2CC2)(COC)CC1 1162048342 XFINCPLZJUPCAI-UHFFFAOYSA-N 321.421 -0.009 30 20 DBED COCC1(CNC(=O)[C@H]2CCNC2=O)CCN(CC#N)CC1 1162400825 IWNUFTFTJBYPPS-LBPRGKRZSA-N 308.382 -0.509 30 20 DBED C#CCCNCCCNC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O 1165732004 UEHVVFTWKNPQFF-AWEZNQCLSA-N 305.382 -0.424 30 20 DBED CC[C@@H](C(=O)NCCCNCC(=O)NCC#N)N1CCCC1=O 1176476878 GVHBEOPPHGUOKE-LBPRGKRZSA-N 323.397 -0.877 30 20 DBED C#CCOCCC(=O)N1CC[C@H](CNCC(=O)NC)[C@@H](C)C1 1184388295 WFDLPTDXJPTPFZ-UONOGXRCSA-N 309.410 -0.154 30 20 DBED C[C@H]1CN(C(=O)c2cc(=O)n(C)cn2)CC[C@@H]1CNCC#N 1184596479 MASANHHNRIIYRQ-NWDGAFQWSA-N 303.366 -0.008 30 20 DBED C#CCCCCCC(=O)N1CC[C@@H](NCC(=O)NC(N)=O)C1 1184890392 MVKHSCOTUPFLHF-GFCCVEGCSA-N 308.382 -0.045 30 20 DBED C#CCNC[C@H]1CN(C(=O)c2cnn(C)n2)CC12CCOCC2 1186521766 MCOTXBCVUKSZCM-ZDUSSCGKSA-N 317.393 -0.093 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2cnc(OC)nc2)C1 1186754143 BIGOZBJZCWCURO-GFCCVEGCSA-N 317.349 -0.961 30 20 DBED N#CCNC(=O)CN[C@@H]1CCN(C(=O)CCc2cnccn2)C1 1186807714 DBXDMNWTVLTCIZ-CYBMUJFWSA-N 316.365 -0.761 30 20 DBED CCO[C@H](CC)C(=O)N1CC[C@H]2CN(CC(=O)NCC#N)C[C@H]21 1187101898 QWWHLVIJAPIVAY-BFHYXJOUSA-N 322.409 -0.026 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)CN2CCCC2)C1 1187841950 GTEAMDOZWXFKFJ-UONOGXRCSA-N 308.426 -0.037 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)CCN2CCCC2=O)C1 1187894403 HLNPNKGYXYYPOQ-CQSZACIVSA-N 307.394 -0.161 30 20 DBED CCCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 1192036623 BCGMNPGQRXAJKS-CHWSQXEVSA-N 319.365 -0.813 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(Cc2nccn2CC)C[C@H]1O 1192525781 ZPKJELPUGBMDDW-IOASZLSFSA-N 322.409 -0.109 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)C2(CC#C)CCOCC2)C1 1193729380 YDSDXLCDLBDWTK-HUUCEWRRSA-N 304.390 -0.009 30 20 DBED CCNC(=O)NC(=O)CN1CCCN(C(=O)[C@H](C)C#N)CC1 1195313792 DELMVESCNIWQQJ-LLVKDONJSA-N 309.370 -0.474 30 20 DBED C#CCN1CCCN(C(=O)[C@H](C)NS(=O)(=O)CC)CC1 1195914497 BOJHEWYDAKMDQU-LBPRGKRZSA-N 301.412 -0.518 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCCN(C(=O)c2cnon2)CC1 1197511966 RPENYNMQTLFZQW-LLVKDONJSA-N 307.354 -0.092 30 20 DBED C=CCO[C@H](C)C(=O)N1CCCN(Cc2nnn(C)n2)CC1 1198344768 WVIUFOVEZMQTDW-GFCCVEGCSA-N 308.386 -0.165 30 20 DBED C=CCNC(=O)[C@H](C)NC1CCN(C(=O)CNC(=O)CC)CC1 1199847998 RTZOUUXBFJLAPZ-LBPRGKRZSA-N 324.425 -0.216 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)c2coc(C)n2)CC1 1200219503 XYJQRJJXHLVQFS-UHFFFAOYSA-N 304.350 -0.073 30 20 DBED C#CCNC[C@H]1CN(C(=O)c2cc(OC)ncn2)CCCO1 1200519266 FCXLRRDQFSMLSR-LBPRGKRZSA-N 304.350 -0.061 30 20 DBED C=C(C)CNC[C@H]1CN(C(=O)Cn2ncn(C)c2=O)CCCO1 1200841588 QGOCDGKAJSEKGG-ZDUSSCGKSA-N 323.397 -0.635 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)CCCO1 1201261298 PCYXXSYFMZSINC-GFCCVEGCSA-N 304.350 -0.386 30 20 DBED CS(=O)(=O)NCCC(=O)N[C@@H]1C[C@H](NCC#N)C12CCC2 1202993985 AZXZNWSHKREXMY-WDEREUQCSA-N 314.411 -0.534 30 20 DBED C#CCNC(=O)[C@@H](C)NCC1CCN(C(=O)c2nc[nH]n2)CC1 1206636127 VHGQPKQZWLYGFO-LLVKDONJSA-N 318.381 -0.616 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCC[C@@H](NCCOCCO)C1 1207951647 WCCUGTZTLBDOKJ-HIFRSBDPSA-N 300.399 -0.097 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)C(C)(C)C(N)=O)C1 1208373321 IBNPXZALTNIYCF-VXGBXAGGSA-N 322.409 -0.784 30 20 DBED C#CCN[C@H]1CCCN(C(=O)CCCn2c(O)nnc2O)C1 1208462631 CWNMUPWQHCDQQW-NSHDSACASA-N 307.354 -0.317 30 20 DBED C#CCN[C@@H]1CCCN(C(=O)CN(C)S(=O)(=O)CC)C1 1210416634 HKJKBWYOBPWMIS-GFCCVEGCSA-N 301.412 -0.518 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2ccn(C)n2)[C@H](C)C1 1211031743 NCQSEUPZJFUFHC-DGCLKSJQSA-N 303.366 -0.780 30 20 DBED COCC#CCN1C[C@@H](NC(=O)[C@H](OC)C2CC2)[C@H](OC)C1 1212203102 CFHVMGDLOVMKEZ-RBSFLKMASA-N 310.394 -0.123 30 20 DBED CCCCS(=O)(=O)CC(=O)N[C@@H]1CN(CC#N)C[C@H]1OC 1213936253 OGTYPLQQUGYLCU-VXGBXAGGSA-N 317.411 -0.460 30 20 DBED CC(C)C#CC(=O)N1CCO[C@@H]2CN(Cc3cnn(C)n3)C[C@@H]21 1217844467 ZZWLTALPQRYJKY-LSDHHAIUSA-N 317.393 -0.114 30 20 DBED CC#CCCCC(=O)N1CCO[C@@H]2CN([C@@H]3CCNC3=O)C[C@@H]21 1218486966 HRUHQQGFKGYOKZ-QLFBSQMISA-N 319.405 -0.020 30 20 DBED C=CCC(CC=C)C(=O)N[C@@H]1CN(Cc2nc(O)n[nH]2)C[C@@H]1O 1219689709 GBWXFPDIADFYFK-NEPJUHHUSA-N 321.381 -0.060 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)CCCn2cncn2)C1 1220698319 RRYLSPVWRJPAOF-KGLIPLIRSA-N 323.397 -0.578 30 20 DBED CC(C)C#CC(=O)N1C[C@H]2CCN([C@@H](C)C(=O)NC(N)=O)C[C@H]21 1221530319 FZTANUOIIJQVKE-YNEHKIRRSA-N 320.393 -0.238 30 20 DBED COCC#CCN1CCC(CNC(=O)c2ncn(C)n2)CC1 1223064878 FUALWBUNVZNSKN-UHFFFAOYSA-N 305.382 -0.093 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)[C@H]2CCC(=O)NC2)CC1 1228123330 LHFMAXYXAUAUMJ-LBPRGKRZSA-N 322.409 -0.605 30 20 DBED C=CCNC(=O)[C@H](C)N1CCC(NC(=O)[C@@H](C)CC(N)=O)CC1 1228588801 HBTBZRKWYXJSSR-RYUDHWBXSA-N 324.425 -0.231 30 20 DBED CNC(=O)NC(C)(C)C(=O)NC1CCN(CC#CCOC)CC1 1230355142 SVEBKUNYCFOKQJ-UHFFFAOYSA-N 324.425 -0.076 30 20 DBED COCC#CCN1CC[C@@H]1CN(C)C(=O)c1ccc(O)nn1 1230659447 UXKNHNDHMPHWDR-GFCCVEGCSA-N 304.350 -0.022 30 20 DBED CNC(=O)NC(=O)CN1CC[C@@H]1CN(C)C(=O)C#CC(C)C 1234119904 SCHBBJHPHHDTIK-GFCCVEGCSA-N 308.382 -0.366 30 20 DBED C=CCOCCNC(=O)N1CCC(n2cc(C(N)=O)nn2)CC1 1261930938 UMDRFZHNVBLYTE-UHFFFAOYSA-N 322.369 -0.074 30 20 DBED C[C@@H](CCNC(=O)[C@H](C)c1cnn(C)c1)NCC(=O)NCC#N 1281768173 IXCCKBLZPNZLBT-NWDGAFQWSA-N 320.397 -0.352 30 20 DBED CC[C@](C)(C#N)NC(=O)C1CCN(S(=O)(=O)NC)CC1 1321880216 RUSADURETLIFJN-GFCCVEGCSA-N 302.400 -0.029 30 20 DBED CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N(C)CCNS(C)(=O)=O 1322784917 VZDKJBHAKSPLEZ-WCQYABFASA-N 318.443 -0.090 30 20 DBED COCC[C@@](C)(C#N)NC(=O)CN1CCS(=O)(=O)CC1 1323759462 WHNMEZDEGUDEFT-LBPRGKRZSA-N 303.384 -0.848 30 20 DBED CN1C[C@H]2CN(C(=O)CCN/C(O)=C3/N=CC=CC3=O)C[C@H]2C1 1324846043 SLBVYVZVNVLVRK-QAARUPQSSA-N 318.377 -0.077 30 20 DBED C#CCn1ccc(CN(CC)C(=O)C[C@H](NC(C)=O)C(N)=O)n1 1326743662 AIQVGQMNTURZQP-ZDUSSCGKSA-N 319.365 -0.755 30 20 DBED CCS(=O)(=O)NC1CCN(C(=O)NCC#CCO)CC1 1332333870 FMDFLUVKHFVEHC-UHFFFAOYSA-N 303.384 -0.905 30 20 DBED C#C[C@H](NC(=O)C(=O)N(CC)CCC(=O)NC)[C@@H]1CCCO1 1334245426 UKHCIYMUNWOEGR-RYUDHWBXSA-N 309.366 -0.732 30 20 DBED CC#CCN(C)c1nnnn1CCCN1CCCS1(=O)=O 1334377353 TXUQUTRUKTXRIZ-UHFFFAOYSA-N 312.399 -0.442 30 20 DBED C=CCC1(O)CCN(C(=O)C(=O)N2C[C@H]3C[C@@]3(CO)C2)CC1 1336363702 KUQFKLBWLBQNTD-DOMZBBRYSA-N 308.378 -0.243 30 20 DBED C=CCCOCCNC(=O)C(=O)NC[C@H]1CCS(=O)(=O)C1 1340612161 OXQKXGYSZFHTOD-LLVKDONJSA-N 318.395 -0.754 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)NCc1nn(CC)nc1C 1349416223 KHAZOHHXEIUDMW-LBPRGKRZSA-N 321.381 -0.233 30 20 DBED C=CCN(C(=O)C(=O)NC[C@]1(OC)CCOC1)[C@@H](C)COC 1350842130 AKXSFYAWRFWDLL-SWLSCSKDSA-N 314.382 -0.042 30 20 DBED C[C@@H](O)C(=O)N1CCN(S(=O)(=O)CC(C)(C)C#N)CC1 1365389979 NZUHAIZKYHHXJV-SNVBAGLBSA-N 303.384 -0.609 30 20 DBED CNC(=O)Cc1noc(CN2CCN(C(=O)[C@H](C)C#N)CC2)n1 1365627271 HMYLUEZINSWBHE-SNVBAGLBSA-N 320.353 -0.838 30 20 DBED C[C@H](C#N)C(=O)NC1CN(CC(=O)NCc2cccnc2)C1 1377867189 BBXYLVVDTVQHHN-LLVKDONJSA-N 301.350 -0.342 30 20 DBED COCCN(CCNC(=O)[C@H](C)C#N)C(=O)CNC(=O)OC 1384412799 SDOGZJIMWNSSSB-SNVBAGLBSA-N 314.342 -0.907 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CCN(C(=O)CCn2cnccc2=O)C1 1385736269 QYHHEVPAFNFBBI-RYUDHWBXSA-N 317.349 -0.490 30 20 DBED C[C@@H](CNC(=O)[C@@H](C)C#N)NC(=O)CS(=O)(=O)C(C)(C)C 1392957839 JQLOASGKUMPCOM-UWVGGRQHSA-N 317.411 -0.020 30 20 DBED C[C@@H](CNC(=O)CCn1cnccc1=O)N(C)C(=O)[C@H](C)C#N 1395161885 MROFQURPVHWCGJ-NEPJUHHUSA-N 319.365 -0.244 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](C)NC(=O)CNC(=O)c1ccccn1 1399991903 CREGQFIFVYPOEJ-WDEREUQCSA-N 317.349 -0.408 30 20 DBED CCCNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)c1cc(C#N)c[nH]1 1401498509 CVHDULSMMWMBIK-ZYHUDNBSSA-N 321.381 -0.519 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H](C)CNC(=O)c1cccn2nnnc12 1404379241 UQQGJZUINQBWBB-NXEZZACHSA-N 315.337 -0.139 30 20 DBED Cn1ncc(C(=O)NC[C@H](O)CNCc2ccc(C#N)cc2)n1 1406267688 BVZNBMSDICSVHW-CYBMUJFWSA-N 314.349 -0.433 30 20 DBED C[C@H](O)CN(Cc1cc(O)n2ncc(C#N)c2n1)[C@H](C)CO 1412978305 JCDGPZGMMOXXTN-ZJUUUORDSA-N 305.338 -0.130 30 20 DBED C[C@H](C#N)C(=O)NC1CN(C(=O)[C@@H]2CCn3ccnc3C2)C1 1416045247 DUYIKAVZLNIHJT-GHMZBOCLSA-N 301.350 -0.068 30 20 DBED CC(C)CS(=O)(=O)CC(=O)N1CC(NC(=O)[C@H](C)C#N)C1 1430289646 KBGKZLYJWWFAPX-SNVBAGLBSA-N 315.395 -0.456 30 20 DBED C[C@@H](C#N)C(=O)NCCN1CCN([C@@H]2CCN(C)C2=O)CC1 1436699731 OJGQXMSTRYZDOH-QWHCGFSZSA-N 307.398 -0.889 30 20 DBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC=C(N)N1 1455880954 RVNWGZJSXQXYAR-VIFPVBQESA-N 321.362 -0.628 30 20 DBED CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)c1cc(C#N)cnn1 1458269092 TVWZPTFHBIOXCC-SNVBAGLBSA-N 309.351 -0.912 30 20 DBED C=C(Cl)CNC[C@H](O)CNC(=O)c1ccn2nnnc2c1 1482755012 ANWIIPKHFLLGTB-JTQLQIEISA-N 310.745 -0.443 30 20 DBED COc1nn(C)cc1C(=O)N1CC(CNC(=O)[C@H](C)C#N)C1 1498677538 KPIXRWNSCVFQHG-SECBINFHSA-N 305.338 -0.223 30 20 DBED C[C@H](C#N)C(=O)NCC1(C)CCN(C(=O)CCNC(N)=O)CC1 1506675083 KEQNSPLGOJMRQF-LLVKDONJSA-N 323.397 -0.051 30 20 DBED CNC(=O)NCC(=O)NC[C@@H]1CCCCCN1C(=O)[C@@H](C)C#N 1509356110 IIGOYCNDZMQWKH-RYUDHWBXSA-N 323.397 -0.038 30 20 DBED CC[C@H](CNC(=O)Cn1cncn1)NC(=O)c1c[nH]c(C#N)c1 1531497100 MLZLMCIHQKTRPM-LLVKDONJSA-N 315.337 -0.197 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)C[C@H]2CCCC(=O)N2)CC1 1535883592 BJSWARMPDWTPAD-WDEREUQCSA-N 306.366 -0.030 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)C[C@@H]1CCCN1C(=O)CNC(=O)O 1573311853 ZMUPTBHJLJDNMZ-NEPJUHHUSA-N 324.381 -0.685 30 20 DBED COC1(OC)CCN(C(=O)[C@](C)(C#N)CC(=O)O)C[C@H]1O 1574120536 PRRWVMWHHWWCFG-SKDRFNHKSA-N 300.311 -0.427 30 20 DBED Cc1onc(CC(=O)N[C@H]2CN(C(=O)O)C[C@@H]2CO)c1C#N 1574207982 JXWIABISSOPDOU-KCJUWKMLSA-N 308.294 -0.516 30 20 DBED C#CCN(C)c1nnc([C@H]2COCCN2)n1CC(=O)N(C)CC 1574614483 CQFQNEXLLGUHII-GFCCVEGCSA-N 320.397 -0.513 30 20 DBED C=C(C)CN(CC)C(=O)CN1CC(NC(=O)[C@H]2C[C@H]2C(=O)O)C1 1588562837 IZJLSGMUZMDUNS-QWHCGFSZSA-N 323.393 -0.068 30 20 DBED C[C@H](C#N)C(=O)NCCN(C)c1cncc(-c2nn[nH]n2)n1 1588929138 MKPMVICYYUOOQZ-MRVPVSSYSA-N 301.314 -0.631 30 20 DBED C[C@@H](C(=O)Nc1cnn(CC#N)c1)n1cnc(-c2nn[nH]n2)n1 1589022005 UJEGNWUAXZTGIZ-ZETCQYMHSA-N 313.285 -0.622 30 20 DBED N#Cc1cn(CC(=O)O)c(=O)n(Cc2cc(C3CC3)no2)c1=O 1594632896 HMAZWVDYVHOSGB-UHFFFAOYSA-N 316.273 -0.120 30 20 DBED CCN(CCC#N)S(=O)(=O)NC1(C(=O)O)CC(CO)C1 1605438701 IZTRSNQSHKAFIG-UHFFFAOYSA-N 305.356 -0.718 30 20 DBED C=CCn1cc(C(=O)N2CCCC[C@@H]2CNCC(N)=O)nn1 1690480069 FVBORQKWESDDMT-LLVKDONJSA-N 306.370 -0.466 30 20 DBED C#CCNC(=O)CN[C@@H](CNC(=O)c1c[nH]nc1CC)C1CC1 1752471388 NKANRZOSBMIHTN-AWEZNQCLSA-N 317.393 -0.181 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)[C@@H](C)OCC)[C@H]2C1 1752842919 CBHVYLZKZHZGLQ-POQQGIQPSA-N 307.394 -0.404 30 20 DBED N#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@@H]3CC[C@H](F)C3)[C@H]2C1 1752845645 ZQKQUUIYPZOJML-MOWSAHLDSA-N 308.357 -0.189 30 20 DBED C#CCCNC[C@@H]1CCN(C(=O)Cn2nc(C)n(C)c2=O)C1 1752958620 NTRLIXGQXUYPOO-ZDUSSCGKSA-N 305.382 -0.648 30 20 DBED C#CCNC(=O)CN1CC(NC(=O)[C@H](CC)N(CC)CC)C1 1753386737 KMQBVGFOGVLSQB-AWEZNQCLSA-N 308.426 -0.343 30 20 DBED C#CCNC(=O)CNC/C=C/CNC(=O)c1cnc(C)cn1 1754092529 SPHUECGYWTXWOC-SNAWJCMRSA-N 301.350 -0.590 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(N[C@@H]2CCN(CC)C2=O)CC1 1754513478 ACWLMWWBVMIAMM-CHWSQXEVSA-N 307.394 -0.116 30 20 DBED C=CCCCN1CC(N(C)C(=O)CNC(=O)CNC(C)=O)C1 1754576968 GEARVSBJTMSPBM-UHFFFAOYSA-N 310.398 -0.653 30 20 DBED C=C(C)CN(CC)C(=O)[C@H](C)NC[C@@H]1CCCN1C(=O)C(N)=O 1754616289 WSTGLCDOPMTIQQ-STQMWFEESA-N 324.425 -0.135 30 20 DBED Cn1c(=O)ccn(CC(=O)NC2(C)CCN(CC#N)CC2)c1=O 1754627210 XWCVMLDAEVWPCT-UHFFFAOYSA-N 319.365 -0.959 30 20 DBED C=CCNC(=O)[C@H](C)N1CC[C@](C)(NC(=O)c2cnon2)C1 1754681879 JWVFVAPTZRTZBT-HZMBPMFUSA-N 307.354 -0.046 30 20 DBED C#CCNC(=O)CNCC[C@@H]1CCN(C(=O)[C@@]23COC[C@@H]2C3)C1 1754916328 TYDAGPCVYVVUHQ-KEYYUXOJSA-N 319.405 -0.400 30 20 DBED N#CCNC1(CNC(=O)CCCN2C(=O)CNC2=O)CCC1 1754992235 UVGQJADJOZVCDX-UHFFFAOYSA-N 307.354 -0.530 30 20 DBED C#CCNC(=O)CN(C)CCCN(C)C(=O)c1c[nH]nc1C 1755041718 XQDFLFMGEJVSJN-UHFFFAOYSA-N 305.382 -0.139 30 20 DBED C#CCNC1(C)CCN(C(=O)CCn2cc[nH]c(=O)c2=O)CC1 1755132620 IWTIYTQVLPIIPO-UHFFFAOYSA-N 318.377 -0.469 30 20 DBED C#CCNC(=O)CN[C@H](C)[C@@H](C)NC(=O)c1c[nH]nc1CC 1755242048 KPYXQTMTWFJRQV-GHMZBOCLSA-N 305.382 -0.182 30 20 DBED C=CCCN[C@H](C)[C@@H](C)NC(=O)c1c[nH]nc1S(N)(=O)=O 1755252091 DQONPPWHOZTIIH-RKDXNWHRSA-N 315.399 -0.270 30 20 DBED CC#CCNC[C@@H](O)CN(C)C(=O)c1nc2ncc(C)cn2n1 1755782149 QAMQKMXKCCKVMJ-GFCCVEGCSA-N 316.365 -0.521 30 20 DBED CN(CC(=O)NCC#N)C[C@@H](O)CN(C)C(=O)C1CC=CC1 1755799337 LMMPQMUEBYUYKC-CYBMUJFWSA-N 308.382 -0.657 30 20 DBED CC(C)C#CC(=O)N[C@@H](CO)CNC(=O)c1cnnc(O)c1 1756527073 CFZUQKGAEARDJJ-LLVKDONJSA-N 306.322 -0.952 30 20 DBED CN(C[C@H](O)CN(C)C(=O)c1nc[nH]n1)C(=O)C#CC(C)(C)C 1756687152 AAKLQXJTQCSKRP-NSHDSACASA-N 321.381 -0.255 30 20 DBED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3ccnc3)C[C@@H]21 1790791048 SHNRPHBZINGDDQ-IHRRRGAJSA-N 316.361 -0.504 30 20 DBED C#CC(=O)N1CC2(CCCN2C(=O)c2cccnc2C(N)=O)C1 1842157588 VPNYCNSZHRQWET-UHFFFAOYSA-N 312.329 -0.369 30 20 DBED CC(=O)C(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C#CC(=O)O 1847719444 FRRQCXUKWRRHGZ-RYUDHWBXSA-N 320.345 -0.109 30 20 DBED N#Cc1cccc(CS(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)O)c1 40396325 VGOMKUJOTNJCHD-NEPJUHHUSA-N 310.331 -0.092 30 20 DBED C=CCN(CC(=O)O)C(=O)C1CCN(S(C)(=O)=O)CC1 92462840 XZFNYABPHCYRMU-UHFFFAOYSA-N 304.368 -0.243 30 20 DBED CCN(CCO)CCNC(=O)CNC(=O)c1ccc(C#N)cc1 184060896 NZMTYUVBZLXINW-UHFFFAOYSA-N 318.377 -0.282 30 20 DBED C=CCS(=O)(=O)CCNS(=O)(=O)C[C@@H](C)C(=O)OC 272879894 VCNZITHENYPPKE-SECBINFHSA-N 313.397 -0.684 30 20 DBED C[C@@H](CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)N(C)C 289471370 HLQXQBCUOHQYJB-NSHDSACASA-N 324.406 -0.097 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H](CNC(=O)[C@@H](C)OCC#C)COC 295311138 NEZOKFOBEXXGOW-RDBSUJKOSA-N 324.377 -0.690 30 20 DBED COC/C(O)=N/C1CN(C(=O)[C@H]2CCCCS2(=O)=O)C1 330147002 IIHXQKHJJOLXSJ-SNVBAGLBSA-N 304.368 -0.233 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)NCCN1CCOC[C@@H]1C 330373914 BNTVYHYETBNNLB-NEPJUHHUSA-N 304.416 -0.367 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)NCCN1C(=O)CCC1=O 330408506 HVMUBUFYJPTMKQ-VIFPVBQESA-N 302.356 -0.796 30 20 DBED COC(=O)[C@@H](NS(=O)(=O)N1CCO[C@@H](C#N)C1)C(C)C 336882580 CAHIQVDYOVTBJD-UWVGGRQHSA-N 305.356 -0.757 30 20 DBED C[C@H](CCN1CCOCC1)NC(=O)[C@@H](C)n1cnc(C#N)n1 337016166 LXCNUWJXEAXUKY-VXGBXAGGSA-N 306.370 -0.062 30 20 DBED C=C[C@H](C)NC(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 342160493 ZVPGDXJXGNAUFZ-JTQLQIEISA-N 322.369 -0.767 30 20 DBED CCS(=O)(=O)CC(=O)N(CCC#N)CCN1CCOCC1 346530589 KZZFTFSZICTQFZ-UHFFFAOYSA-N 317.411 -0.504 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N1C[C@@H](C)S(=O)(=O)[C@H](C)C1 352593784 WATCYDAHAQKJQZ-GMTAPVOTSA-N 323.440 -0.170 30 20 DBED C=CCSCCNC(=O)C(=O)N1CC[C@H](NC(=O)NC)C1 355289315 CYDMDYPVKNQFSY-JTQLQIEISA-N 314.411 -0.448 30 20 DBED CN1C(=O)C(=O)N(CC(=O)NCc2cc(C#N)ccc2F)C1=O 361882679 KNGPBMBPIFQTJY-UHFFFAOYSA-N 318.264 -0.266 30 20 DBED C#CCCS(=O)(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 377341376 COZBVYAKKKZPIN-CYBMUJFWSA-N 313.423 -0.422 30 20 DBED CCN(C[C@@H](C)C#N)C(=O)CN1CCC(O)(C(=O)OC)CC1 378369634 YTHGKEOWWNHNCZ-LBPRGKRZSA-N 311.382 -0.006 30 20 DBED CC[C@@H]1C(=O)NCCN1S(=O)(=O)N(CC)C[C@H](C)C#N 407959907 XMAXZICLQGFNQQ-GHMZBOCLSA-N 302.400 -0.077 30 20 DBED C=CCN(C1CC1)S(=O)(=O)N1CCN(S(C)(=O)=O)CC1 408088836 LABVOPPOSVPZMS-UHFFFAOYSA-N 323.440 -0.541 30 20 DBED C=CCC[C@@H](NC(=O)CN1C(=O)CN(C)C1=O)C(=O)OCC 456619084 BEIRQGAFSZLNJJ-SNVBAGLBSA-N 311.338 -0.106 30 20 DBED C#CCNC(=O)CCNCc1cccc(S(=O)(=O)NC)c1 491407050 PZQCPSNQRZPKQP-UHFFFAOYSA-N 309.391 -0.176 30 20 DBED C#CCN(C)CCCNC(=O)N1CCS(=O)(=O)C[C@@H]1C 491486410 VZGCBMYDVSCWQB-LBPRGKRZSA-N 301.412 -0.230 30 20 DBED C[C@H](NS(=O)(=O)CC1(C#N)CCC1)C(=O)N1CCOCC1 516350506 MMKOBQMOUWLVMK-NSHDSACASA-N 315.395 -0.153 30 20 DBED Cc1nn(C)c(N2CCN([C@H]3CCN(C)C3=O)CC2)c1C#N 530413469 KSDNRMIFSJYLEP-ZDUSSCGKSA-N 302.382 -0.047 30 20 DBED C=CCOC[C@@H]1NC(=O)N([C@H]2CCN(S(C)(=O)=O)C2)C1=O 567999534 SPHHXYZWGOKDBM-UWVGGRQHSA-N 317.367 -0.857 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N(C)Cc1cn(C)nn1 594856199 DIUFDJDGTFLLKS-SNVBAGLBSA-N 300.388 -0.027 30 20 DBED CC(C)(C#N)C[C@H](O)CN1CCN(C(=O)C(=O)NC2CC2)CC1 598586192 QATNRNIAHDSUCU-ZDUSSCGKSA-N 322.409 -0.290 30 20 DBED CC(C)[C@H](C#N)N1CCN(CC(=O)N[C@@H](C)C(=O)N(C)C)CC1 609539111 SWKAUTLGNNCFCQ-KBPBESRZSA-N 323.441 -0.255 30 20 DBED C=CCN(C(=O)Cn1cc(S(N)(=O)=O)cn1)[C@@H](C)COC 617578422 JFGAMDWWMLJQMS-JTQLQIEISA-N 316.383 -0.420 30 20 DBED C=CCC1(O)CCN(C(=O)CNS(=O)(=O)N(C)C)CC1 717837400 YNXRFJHCUCJDBS-UHFFFAOYSA-N 305.400 -0.688 30 20 DBED C#CCN1CCN(C(=O)c2csc(S(N)(=O)=O)c2)CC1 733162500 QENBUMMQMMVBMW-UHFFFAOYSA-N 313.404 -0.214 30 20 DBED C=C(C)[C@@H](C)OC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 755990448 XVMPISGRNBOSEU-SECBINFHSA-N 306.322 -0.059 30 20 DBED C#C[C@H](NC(=O)NCCOCCS(C)(=O)=O)[C@H]1CCCO1 773321754 LLYGGKSDSPNPHZ-NWDGAFQWSA-N 318.395 -0.472 30 20 DBED C#C[C@H](NC(=O)C(=O)NCc1cc(CC)[nH]n1)[C@H]1CCCO1 805852173 WGZWDCAIFYRBIE-QWHCGFSZSA-N 304.350 -0.115 30 20 DBED C[C@H](C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[nH]1)c1cnn(C)c1 819877316 SZEDQIBYJFKAGT-LURJTMIESA-N 312.297 -0.063 30 20 DBED C=CCNC(=O)NC(=O)CN1CCN(CCC(=O)O)C[C@H]1C 833376539 GJYAXYRPMPMCNT-LLVKDONJSA-N 312.370 -0.521 30 20 DBED CN(C)S(=O)(=O)c1c[nH]c(C(=O)N[C@@H]2CNC[C@H]2C#N)c1 834521345 GUXUFWRETHYRGN-LDYMZIIASA-N 311.367 -0.894 30 20 DBED C#CCC[C@H](O)CNC(=O)C1=C(C)N(C)c2nnnn2[C@@H]1C 848035260 PXENCJQEZFFNDL-MNOVXSKESA-N 304.354 -0.152 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N1CC[C@@](C)(C(=O)NC)C1 875597615 LUJXMJRXLIGCID-BLLLJJGKSA-N 323.393 -0.484 30 20 DBED CN1C(=O)COc2ccc(C(=O)N[C@@H]3CNC[C@H]3C#N)cc21 876803857 YERXIJKTDARFMF-GHMZBOCLSA-N 300.318 -0.117 30 20 DBED C#C[C@@H](NC(=O)C(=O)N[C@H]1CC[C@H](CN)CC1)[C@@H]1CCCO1 884552890 LEFGBPOMUHIGPM-SYQHCUMBSA-N 307.394 -0.083 30 20 DBED C#CCOc1cccc(NC(=O)C(=O)NCCN(C)CCO)c1 892219949 TZWOPKXYLBDEGM-UHFFFAOYSA-N 319.361 -0.323 30 20 DBED COCC(=O)NC1CN(C(=O)c2cccc(C#CCO)c2)C1 907507862 ZJXBPZBMKYJCIA-UHFFFAOYSA-N 302.330 -0.383 30 20 DBED O=C(NCC#CCO)NCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 923777400 PTSVJQSASGFKMY-WUHRBBMRSA-N 317.345 -0.912 30 20 DBED C#CCNS(=O)(=O)N1CCN(C/C=C/C(=O)OCC)CC1 930118282 FSYSTZPGEYKRRZ-AATRIKPKSA-N 315.395 -0.809 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[C@H](NC(=O)C(N)=O)CC1 943713433 NWRBRIJEFLGUHW-LPWJVIDDSA-N 323.393 -0.004 30 20 DBED C[C@H]1C[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)CCN1CC#N 947371308 YPJZCZGPZXCIRZ-RYUDHWBXSA-N 319.365 -0.960 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2nn3c(c2C)OCCC3)C1 958122118 QENCLGQYBNDBCE-OLZOCXBDSA-N 318.377 -0.370 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](CNC(=O)c2cc3n(n2)CCO3)C1 958135072 KDBYJXLVJUXWME-YPMHNXCESA-N 306.366 -0.126 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C2=COCCO2)C1 958461573 VTQBIMNWHAXFMR-VWYCJHECSA-N 309.322 -0.936 30 20 DBED C#CCN1C[C@@H]2C(NC(=O)c3cnc4ccccn4c3=O)[C@H]2C1 960613041 WLQLGCGIWFCZKL-STQMWFEESA-N 308.341 -0.012 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)c1cc(=O)n(C)o1 964179004 NCJIDAOEUIYSGM-ZJUUUORDSA-N 322.321 -0.905 30 20 DBED CC(=O)N1CCOC[C@H]1C(=O)NC1CC2(CC(NCC#N)C2)C1 965925346 LKOUAZDBEFLONZ-JNJRBNHSSA-N 320.393 -0.226 30 20 DBED O=C(N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O)c1nccs1 970052225 VWTJOTDFSPJXAQ-MNOVXSKESA-N 305.359 -0.142 30 20 DBED CN(CC#N)[C@@H]1CCN(C(=O)CN2CCCS2(=O)=O)C1 971641865 PCJMBKALBGEKND-LLVKDONJSA-N 300.384 -0.922 30 20 DBED N#CCN1C[C@H]2CC[C@H]1CN2C(=O)C1CC2(C1)NC(=O)NC2=O 971911892 UGGSZPDEFKCICS-FMCALUSXSA-N 317.349 -0.827 30 20 DBED O=C1NCC[C@@H]1N1CCO[C@@]2(CCN(C(=O)C#CC3CC3)C2)C1 972379490 YQYRPLXMRDHYSA-YOEHRIQHSA-N 317.389 -0.408 30 20 DBED C=C(C)CCN1CCO[C@@]2(CCN(C(=O)[C@@H]3CNC(=O)N3)C2)C1 972527030 PPPPMAQYFLSYGK-BBRMVZONSA-N 322.409 -0.063 30 20 DBED Cn1cc(C(=O)N[C@H]2CN(CC#N)CC2(C)C)c(=O)n(C)c1=O 975112775 KYDFRZHDVZAXEP-NSHDSACASA-N 319.365 -0.952 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H]2[C@H](NC(=O)c3nnn(C)n3)[C@H]2C1 976994152 LRZJFJXMQLIWJM-MYJAWHEDSA-N 304.354 -0.391 30 20 DBED C#CCCN1C[C@H]2C[C@@H](NC(=O)Cn3ncnn3)CC[C@H]2C1 979705634 AZBJIMSQVOQMGO-MJBXVCDLSA-N 302.382 -0.087 30 20 DBED C#CCN[C@@H]1CCN(C(=O)CCc2nnc(O)nc2O)[C@H]1C 986462460 MCLNOVCFTTYUNF-VHSXEESVSA-N 305.338 -0.572 30 20 DBED C#Cc1ccc(C(=O)N2CC(NC(=O)[C@H]3CCC(=O)N3)C2)cc1 990502947 KQAIQBJEJKNCCG-CQSZACIVSA-N 311.341 -0.113 30 20 DBED N#Cc1c[nH]c(C(=O)NC2CN(C(=O)[C@H]3CCCNC3=O)C2)c1 990712695 VJCHFGQGYXUOOF-NSHDSACASA-N 315.333 -0.647 30 20 DBED C[C@H](C#N)C(=O)N1CC(NC(=O)c2cnn3c(=O)cc[nH]c23)C1 991668886 WWYUXNRRUYRIFQ-MRVPVSSYSA-N 314.305 -0.877 30 20 DBED C#CCN1CC[C@]2(NC(=O)CN3CC(=O)NC3=O)CCC[C@H]12 992341209 WZRFRUSKYLWQBB-XHDPSFHLSA-N 304.350 -0.715 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)[C@@H]2CCn3cncc3C2)C1 994549180 NJNNZSOTXMZDFS-WDEREUQCSA-N 301.350 -0.068 30 20 DBED CN(C)[C@H](Cn1cccn1)C(=O)N1CCC(NCC#N)CC1 996668461 DCRBUSDKWLVWJL-CQSZACIVSA-N 304.398 -0.083 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)c3[nH]nnc3C)C2)nc1 997087345 IJIUXFRDYXXUGX-UHFFFAOYSA-N 310.317 -0.256 30 20 DBED C#CCN[C@@H]1CCCN(C(=O)[C@H]2CCc3nnc(O)n3C2)C1 999552035 BULABIHWTPSFPN-NWDGAFQWSA-N 303.366 -0.240 30 20 DBED N#Cc1ccc(C(=O)NCC2CN(C(=O)[C@H]3COCCO3)C2)[nH]1 1001476716 BTBRYDIVOGRUSF-CYBMUJFWSA-N 318.333 -0.510 30 20 DBED CC(=O)N1CCO[C@@H](C(=O)NCC2CCN(CC#N)CC2)C1 1002097115 URYLPEUCJRCLNX-CQSZACIVSA-N 308.382 -0.415 30 20 DBED C[C@H](C#N)C(=O)N1CC(CNC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 1004448945 FNPXQNKPBSUHKZ-ADEWGFFLSA-N 306.366 -0.555 30 20 DBED C[C@@H](NC(=O)c1nc[nH]n1)C1CN(C(=O)c2c[nH]c(C#N)c2)C1 1006613312 KDDOMAHJTRECKC-MRVPVSSYSA-N 313.321 -0.105 30 20 DBED CC#CCN1CCC[C@@H](NC(=O)[C@@H]2CCN(C)S2(=O)=O)C1 1008842147 VKJGBMPHMSBWDR-OLZOCXBDSA-N 313.423 -0.376 30 20 DBED N#Cc1ccccc1CN1CC[C@H](NC(=O)Cn2cnnn2)C1 1010091464 BCLYYQIPEWLGIV-AWEZNQCLSA-N 311.349 -0.065 30 20 DBED Cc1cnn(CC(=O)NC2[C@@H]3CN(C(=O)[C@H](C)C#N)C[C@@H]23)c1 1012829004 SFBCKVOFQNKQFR-IJLUTSLNSA-N 301.350 -0.076 30 20 DBED C#CCN1CCC2(CC1)C[C@H]2NC(=O)CN1CC(=O)N(C)C1=O 1016927186 ULLCPZDYXUMNNF-GFCCVEGCSA-N 318.377 -0.516 30 20 DBED C=CCCN1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCS(=O)(=O)N1 1018281637 CLJMPDSXIIRSAB-XQQFMLRXSA-N 313.423 -0.071 30 20 DBED Cc1nc(C(=O)N2CC[C@H](NCC#N)C2)nn1-c1nc[nH]n1 1019215778 PEGCOTPCNJWXOL-VIFPVBQESA-N 301.314 -0.979 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCN(C(=O)CCn3cnnn3)C2)C1 1019363483 VKVCLOHKPCXKIR-LLVKDONJSA-N 317.353 -0.716 30 20 DBED Cc1cc(C)n(CC(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2O)n1 1024612217 KGBTXXCSNPCBIR-ZWKOPEQDSA-N 319.365 -0.652 30 20 DBED C=CCN[C@@H]1CC[C@@H]2CN(C(=O)CN3C(=O)CNC3=O)C[C@@H]21 1026415946 OHLMEQXRQJXQCT-GRYCIOLGSA-N 306.366 -0.449 30 20 DBED COCCN1C[C@@H](C(=O)NC[C@H]2CCN(CC#N)C2)CC1=O 1028578799 VDTUOTIYNOARRN-OLZOCXBDSA-N 308.382 -0.557 30 20 DBED C#CCCN1CC[C@@H](CNC(=O)[C@H]2CN(C(C)=O)CCO2)C1 1028963373 MVCBAGINZNHNPV-LSDHHAIUSA-N 307.394 -0.305 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN(CC(=O)NC2CC2)C1 1030464251 MNIGOJQWZXXKCH-AWEZNQCLSA-N 304.394 -0.837 30 20 DBED C#CCN1CC[C@@H](N(C)C(=O)[C@H]2CCc3nnc(O)n3C2)C1 1033201476 DXMOKVLBTZEGML-NWDGAFQWSA-N 303.366 -0.288 30 20 DBED Cc1cc(C)n(CC(=O)N(C)[C@@H]2CCN(CC#N)C2)c(=O)n1 1033529355 LODQQTHKMYXONL-CYBMUJFWSA-N 303.366 -0.084 30 20 DBED C#CCCN1CCCC[C@H](NC(=O)Cn2ncn(C)c2=O)C1 1034279190 JQJPCLLOXMLACL-ZDUSSCGKSA-N 305.382 -0.424 30 20 DBED N#CCN1CCCC[C@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 1034530827 FNFRIEJEFQRVLZ-QWRGUYRKSA-N 300.384 -0.828 30 20 DBED Cn1cc(C(=O)N2CC[C@@H]3[C@H](CCN3CC#N)C2)n(C)c1=O 1036905410 JQOILANSVUNSNI-VXGBXAGGSA-N 303.366 -0.216 30 20 DBED C#CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)c1ccc(-n2cnnn2)cn1 1037524765 WIHSOXCOIPOUDB-SWHYSGLUSA-N 309.333 -0.507 30 20 DBED C#CCCCC(=O)NC[C@@]1(O)CCN(C(=O)[C@H]2CCC(=O)N2)C1 1039573989 MKPVWKYLPUATIK-WBMJQRKESA-N 321.377 -0.852 30 20 DBED Cc1ccc(C(=O)NC[C@@]2(O)CCN(C(=O)[C@@H](C)C#N)C2)nn1 1039692461 XMVDVRIWXPRFFX-BONVTDFDSA-N 317.349 -0.362 30 20 DBED C=CCCOCC(=O)NC[C@]1(O)CCN(C(=O)c2nc[nH]n2)C1 1040160125 BFAQUPFCKCHAJY-CQSZACIVSA-N 323.353 -0.909 30 20 DBED C=C1CC(C)(C(=O)N2CC[C@](O)(CNC(=O)c3nc[nH]n3)C2)C1 1040551391 SNAISVMVVNSHIS-HNNXBMFYSA-N 319.365 -0.146 30 20 DBED O=C(C#CC1CC1)N1CC[C@H]2CN(c3nccn4nnnc34)C[C@H]21 1040611278 UWTIRZJPDSMFCD-QWHCGFSZSA-N 323.360 -0.030 30 20 DBED CCc1n[nH]cc1C(=O)N1CC[C@](O)(CNC(=O)[C@@H](C)C#N)C1 1040768220 ANMQHAFCOFPZAN-BONVTDFDSA-N 319.365 -0.175 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)[C@@H]2CCCO2)C1 1041359377 OCEJPSGPZHFXEH-RYUDHWBXSA-N 312.366 -0.554 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)c2occc2C)C1 1041472526 SHVBPTJHPUVBOR-UHFFFAOYSA-N 320.345 -0.069 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)c2ccnc(O)c2)C1 1042803295 WCNFBUDRPLOIDD-UHFFFAOYSA-N 317.345 -0.106 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2c[nH]cc2C)C1 1043042497 PNXVRAIOAVPDCG-LBPRGKRZSA-N 319.361 -0.335 30 20 DBED C=CCn1cc(C(=O)NCC2(O)CN(C(=O)[C@@H]3C[C@H]3C)C2)nn1 1043105956 LSMJLEYKHSCOIV-GHMZBOCLSA-N 319.365 -0.577 30 20 DBED C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1Nc1cnc(C#N)cn1 1043520686 KJRDHMFHZHDWID-KXGXSXBTSA-N 314.349 -0.272 30 20 DBED CCn1nc(C)cc1C(=O)N1CC(O)(CNC(=O)[C@H](C)C#N)C1 1045555286 PLQQMDHEUZKPJW-SNVBAGLBSA-N 319.365 -0.326 30 20 DBED C=CCOCC(=O)N1C[C@H]2C[C@H](NC(=O)CNC(C)=O)C[C@H]1C2 1047248394 KJZAUFBJHLDBBZ-MELADBBJSA-N 323.393 -0.179 30 20 DBED C=CCOCCCC(=O)N1C[C@H]2C[C@H](NC(=O)C(N)=O)C[C@H]1C2 1047708699 QJVGVCUSVFCXQL-RWMBFGLXSA-N 323.393 -0.050 30 20 DBED C#CCN1C[C@H]2CN(C(=O)[C@@H]3CN4CCC[C@H]4CO3)C[C@H]2C1 1048833361 NYIJJAHPIONJTJ-FZKCQIBNSA-N 303.406 -0.127 30 20 DBED C#CCOCCC(=O)N1CC[C@H]([C@@H](C)NC(=O)c2nc[nH]n2)C1 1050730804 ZKUCVWDGQNMHDI-NEPJUHHUSA-N 319.365 -0.189 30 20 DBED C=C(Cl)CN1CCOC[C@@H]1CNC(=O)[C@H]1CCC(=O)N1 1050848212 DLDMVYKRRRGLJM-WDEREUQCSA-N 301.774 -0.166 30 20 DBED N#CCN1CCOC[C@H]1CNC(=O)c1cccnc1C(N)=O 1051254910 OJIPEXNVOAMIGS-SNVBAGLBSA-N 303.322 -0.865 30 20 DBED CC(=O)N1CC[C@@H](n2cc(CN=c3cc[nH]c(C#N)n3)nn2)C1 1051513670 ICQAEJSCKHRALQ-GFCCVEGCSA-N 312.337 -0.233 30 20 DBED C#CCN1CC2(C1)CN(C(=O)C[C@@H]1CCN(C)C1=O)CCO2 1053298486 VUCORHUBJXAIMB-ZDUSSCGKSA-N 305.378 -0.599 30 20 DBED C=CCN1CC2(CC[C@H](CNC(=O)[C@@H]3CN(C)CCO3)O2)C1 1053584956 AJCUIWQMJDNOPH-KGLIPLIRSA-N 309.410 -0.147 30 20 DBED Cc1cc(CC(=O)N[C@@H]2COC3(C2)CN(CC#N)C3)n(C)n1 1053869793 STOBSXCIBYPQFI-LBPRGKRZSA-N 303.366 -0.246 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)CCNC(N)=O)C[C@@H]2C1 1055334236 ITEZWMXCMCYNEC-GARJFASQSA-N 307.354 -0.879 30 20 DBED C[C@@H](C(=O)N1CCN(c2ccc(C#N)nn2)CC1)n1cncn1 1055754704 ZUZXOGMYTFWVTC-NSHDSACASA-N 312.337 -0.150 30 20 DBED C=CCC1(C(=O)N2CCC[C@@](CO)(NC(=O)C(N)=O)C2)CCC1 1056087406 AOAKZJZVGQYHQE-MRXNPFEDSA-N 323.393 -0.312 30 20 DBED N#Cc1cncc(N2C[C@H]3[C@H](NC(=O)[C@H]4COCCO4)[C@H]3C2)n1 1056134199 GUKMTUOSNFBXIR-CZXHOFHRSA-N 315.333 -0.686 30 20 DBED N#Cc1nccnc1N1C[C@@H]2C(NC(=O)CN3CCCC3)[C@H]2C1 1056224485 BCRFTIANCSPTGF-RYUDHWBXSA-N 312.377 -0.005 30 20 DBED N#Cc1nccc(N2C[C@H]3C(NC(=O)c4cncnc4O)[C@@H]3C2)n1 1056329927 FZCGLXWEHLBUOA-NXEZZACHSA-N 323.316 -0.292 30 20 DBED N#Cc1nccnc1N[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1 1056674339 GSQWVZOMAHHPGO-ZJUUUORDSA-N 300.322 -0.360 30 20 DBED C=C[C@@H](C)[C@@H](C)C(=O)NCCN(CCO)C(=O)c1ncn(C)n1 1057498466 DWRSUBGOCGZDAD-VXGBXAGGSA-N 323.397 -0.176 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCN(CCO)C(=O)[C@@H]1CC1(F)F 1057503211 FUWINIPRKSPFHH-GXFFZTMASA-N 320.336 -0.094 30 20 DBED C#CCOCCC(=O)N(CCO)CCNC(=O)[C@@H](F)CC 1057584969 SLANVBMUWQEYPF-LBPRGKRZSA-N 302.346 -0.289 30 20 DBED Cc1nnc(CC(=O)N2CCOC[C@@H]2CNC(=O)[C@H](C)C#N)o1 1061848412 QRMZYGDKOKHSBH-KOLCDFICSA-N 321.337 -0.576 30 20 DBED C#CCOCCC(=O)NC1(CNC(=O)Cn2nccn2)CCC1 1063179492 WJYAGBLLRQLXBH-UHFFFAOYSA-N 319.365 -0.527 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)CNC(C)=O)CCO1 1064775548 OYYBNKJZXDGHDL-ZDUSSCGKSA-N 309.366 -0.730 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2cnn(C)c2)CCO1 1064842365 CHNSQLDWFIBWRC-ZDUSSCGKSA-N 322.365 -0.420 30 20 DBED C#CCCCC(=O)N1CCO[C@@H](CNC(=O)[C@@H](C)CC(N)=O)C1 1065090727 OKQXGQARSDEIOB-STQMWFEESA-N 323.393 -0.355 30 20 DBED C#CCCCC(=O)N1CCO[C@@H](CNC(=O)[C@@H]2COCCO2)C1 1065099561 LFBLTLPPAOXJOF-KBPBESRZSA-N 324.377 -0.451 30 20 DBED CC(C)C#CC(=O)N1CCO[C@H](CNC(=O)C2(C(N)=O)CC2)C1 1065129474 RLNZSUKGBVHPNB-GFCCVEGCSA-N 321.377 -0.745 30 20 DBED CC(C)(C)C#CC(=O)N1CCO[C@@H](CNC(=O)c2cnn[nH]2)C1 1065136962 JLKOGFPYJLBMBG-NSHDSACASA-N 319.365 -0.189 30 20 DBED CC(C)N(C)CC(=O)N1CCO[C@@H](CNC(=O)[C@H](C)C#N)C1 1065253934 ORCUKENFEKELKV-OLZOCXBDSA-N 310.398 -0.170 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@H](CNC(=O)CCn2cccn2)C1 1065556867 KKDJIULVUMPWTC-CHWSQXEVSA-N 319.365 -0.224 30 20 DBED C=CCC(CC=C)C(=O)N[C@@H]1COC2(C1)CN(C(=O)C(N)=O)C2 1068880154 PXHZYFYLZBUZDY-LBPRGKRZSA-N 321.377 -0.274 30 20 DBED C[C@@H]1C[C@H](N=c2cc[nH]cc2C#N)CN1C(=O)c1nnn(C)n1 1069177891 HJBVMAODTXBPTJ-KOLCDFICSA-N 312.337 -0.386 30 20 DBED C#CCN[C@@H]1CN(C(=O)Cc2cnc[nH]2)C[C@H]1c1cn(C)cn1 1070540729 GKBJXWCEIOYBQP-DZGCQCFKSA-N 312.377 -0.097 30 20 DBED C#CCCN1C[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)CC[C@H]1C 1072054840 KTMIKURJRCJBIL-OLZOCXBDSA-N 320.393 -0.127 30 20 DBED C=CCCOCC(=O)N1C[C@@H](NC(=O)Cc2nc[nH]n2)[C@H](C)C1 1072336332 KDYWWUYJMAGGDW-VXGBXAGGSA-N 321.381 -0.097 30 20 DBED C#CCC1(C(=O)N[C@@H]2CN(C(=O)C(N)=O)C[C@H]2C)CCOCC1 1072639421 WLVRSPSFXFMTAN-VXGBXAGGSA-N 321.377 -0.745 30 20 DBED C[C@@H](C#N)C(=O)NC1(C)CCN(C(=O)[C@@H]2CN(C)C(=O)N2)CC1 1073181761 BWDDCIGLFBNHIP-QWRGUYRKSA-N 321.381 -0.333 30 20 DBED CN1CC[C@@H](C(=O)NC[C@H]2CN(CC#N)CCCO2)CC1=O 1073665039 SMVCWCKACRYSAG-OLZOCXBDSA-N 308.382 -0.415 30 20 DBED C=CCCC(=O)N1CC[C@@H](NC(=O)Cn2cnnn2)[C@@H](C)C1 1073692771 QTXHMQVFNUVLQN-NWDGAFQWSA-N 306.370 -0.008 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)c2cn(C)c(=O)cn2)C1 1073703694 VPVCUNICFUPTQG-LBPRGKRZSA-N 304.350 -0.766 30 20 DBED Cn1cnc(C(=O)N2CC[C@H]3OCCN(CC#N)[C@@H]3C2)cc1=O 1074268813 OROVIMMGODCWNJ-CHWSQXEVSA-N 317.349 -0.781 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)c3ccn(C)c(=O)c3)C[C@H]21 1074278893 BUFHBSKPGITXSN-CABCVRRESA-N 315.373 -0.066 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CCN(C(=O)C(F)F)CC1 1074393529 DQCVEUCLKSJPPX-SNVBAGLBSA-N 318.320 -0.241 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CCN(C(=O)c2csnn2)CC1 1074648648 DCBRXFJBUOJTIN-SECBINFHSA-N 323.378 -0.219 30 20 DBED C=CCOCC(=O)NCC1(O)CCN(C(=O)[C@H](C)C#N)CC1 1074704819 IUHALXXOWLHMTR-GFCCVEGCSA-N 309.366 -0.182 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2ccc3c(n2)OCCO3)C1 1077300863 UFIDAWHEJSCEQZ-GHMZBOCLSA-N 304.306 -0.849 30 20 DBED N#Cc1ccc(CN2C[C@@H](O)[C@H](NC(=O)c3nc[nH]n3)C2)cc1 1077863673 LVGKBNGZMODVEI-CHWSQXEVSA-N 312.333 -0.349 30 20 DBED C#CCNC(=O)CC(=O)N(CC)C1CN(C(=O)c2cnco2)C1 1079647353 YSGNFHVOPHIITG-UHFFFAOYSA-N 318.333 -0.513 30 20 DBED CCN(C(=O)CC(=O)NC)C1CN(C(=O)c2ccc(C#N)[nH]2)C1 1079659051 MIQGZOLQKGUWRV-UHFFFAOYSA-N 317.349 -0.305 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)Cc2ccnn2C)C[C@@H]1O 1081336145 UJVNARNIEHNNIK-OCCSQVGLSA-N 320.393 -0.136 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)Cn2cncn2)C[C@H]1O 1081444757 MQRMQLQJCHKWGG-QWHCGFSZSA-N 319.365 -0.983 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)Cn2cccn2)C[C@H]1O 1081463602 PQEGQRXNRPMKEF-ZIAGYGMSSA-N 318.377 -0.522 30 20 DBED C=CCC(C)(C)C(=O)NC[C@H]1CN(C(=O)CC(N)=O)C[C@@H]1O 1081490323 CWIGFLYHANPFNG-QWRGUYRKSA-N 311.382 -0.600 30 20 DBED C=CCCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cnon2)C1 1081682111 LREDJYXZIDWSDV-CMPLNLGQSA-N 308.338 -0.025 30 20 DBED C=CCCC(=O)N1C[C@H](CNC(=O)c2ccnnc2)[C@@H](O)C1 1081797108 HGKQFPKWFQZVFF-STQMWFEESA-N 304.350 -0.008 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)C[C@H]2CCCC(=O)N2)C1 1083624818 BCNUACNJIJNVRY-UTUOFQBUSA-N 315.801 -0.041 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)c2cn([C@H]3CCOC3)nn2)C1 1083930083 WHEOVKNVQOCXEO-LOWVWBTDSA-N 307.354 -0.800 30 20 DBED CC#CCN1CC[C@@H]2CCN(C(=O)C[C@H]3CC(=O)NC3=O)C[C@@H]21 1085108485 IVAHZOCYLCRUKX-MCIONIFRSA-N 317.389 -0.015 30 20 DBED CN(C[C@@H]1CCN1CC#N)C(=O)C1CC2(C1)NC(=O)NC2=O 1085868561 SYKMJGDNIXBVOH-XIRUVYRFSA-N 305.338 -0.969 30 20 DBED CN(C[C@H]1CCN1CC#N)C(=O)c1cc(=O)n2[nH]cnc2n1 1085923725 FGVOZZCDRLOUGL-SECBINFHSA-N 301.310 -0.913 30 20 DBED C#CCN[C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1c1cnn(C)c1 1087008535 LJDNZYORFUVNMJ-UONOGXRCSA-N 313.365 -0.771 30 20 DBED CCO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1CNCc1cn(C)nn1 1087035466 BGSDLRMNUULUHB-YRGRVCCFSA-N 320.397 -0.072 30 20 DBED C#CCN1C[C@H]2[C@@H]3CC[C@@H](CN3C(=O)c3nnn(C)n3)[C@H]2C1 1089847230 RYGNTKLLYSMBIM-LOWDOPEQSA-N 300.366 -0.374 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2cnn3ccncc23)[C@H](O)C1 1090327945 WBQOPLQVFGFBIO-UKRRQHHQSA-N 313.361 -0.082 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2cn(C)nc2COC)[C@H](O)C1 1090371467 KQPIRJUVMZDNPJ-DZGCQCFKSA-N 320.393 -0.245 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1O 1090489636 DOASIIQHYAICAY-IJLUTSLNSA-N 315.333 -0.948 30 20 DBED CO[C@H](C(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1O)C(C)C 1090535496 VEYIYCPDIZXHTD-BZPMIXESSA-N 319.365 -0.315 30 20 DBED C#CCCN1CC[C@H](NC(=O)C2CCN(C(C)=O)CC2)[C@@H](O)C1 1090797063 SZBRJIWAMDSIIZ-HOTGVXAUSA-N 321.421 -0.180 30 20 DBED CN(C)CCCC(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1091175720 OQUKVVIYYCAYTM-OLZOCXBDSA-N 318.381 -0.644 30 20 DBED C#CCCN1C[C@@H]2CN(C(=O)C3CS(=O)(=O)C3)C[C@]2(C)C1 1091700053 ZMSPONMNEQMBLH-HIFRSBDPSA-N 310.419 -0.165 30 20 DBED N#Cc1nc(=NCCNC(=O)c2ccnc3ccnn23)cc[nH]1 1093924958 ZEPIXVSYTSSCPG-UHFFFAOYSA-N 308.305 -0.345 30 20 DBED C#CCN1CC(n2cc(CNC(=O)c3ncccc3O)nn2)C1 1094287040 DCWJNZOPPKBDEV-UHFFFAOYSA-N 312.333 -0.201 30 20 DBED C[C@]1(C(=O)NCCCNc2ccc(C#N)nn2)CNC(=O)C1 1094670740 MEUZCZMXPRAOLB-CQSZACIVSA-N 302.338 -0.207 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)c3ocnc3C)CC2=O)C1 1094723622 NQLWQMJJCWKXQQ-LLVKDONJSA-N 302.334 -0.369 30 20 DBED Cc1ccc(C#N)c(N[C@@H]2CCN(C(=O)CNC(N)=O)C2)n1 1095014702 DVOJKTAKMYLYDU-LLVKDONJSA-N 302.338 -0.057 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@H](Nc2ccc3nnnn3n2)C1 1096962442 OVBDPRHVVAOMJM-QWRGUYRKSA-N 315.337 -0.430 30 20 DBED Cc1nc(CC(=O)NC[C@H](C)N=c2cc[nH]c(C#N)n2)n[nH]1 1097806774 UYJGULXTVVVQMU-QMMMGPOBSA-N 300.326 -0.644 30 20 DBED Cc1nc(N[C@H](C)CNC(=O)Cn2ncnn2)ccc1C#N 1098084813 VIQMIOCVNNENJN-SECBINFHSA-N 300.326 -0.135 30 20 DBED C[C@@H](CNC(=O)CN1CCNC(=O)C1)Nc1ncccc1C#N 1098188734 XWUJNABHXFTANX-NSHDSACASA-N 316.365 -0.698 30 20 DBED N#Cc1ccc(NC[C@H]2CCN(C(=O)CNC(N)=O)C2)cn1 1098500791 KNBOPPUNPMBPGJ-SNVBAGLBSA-N 302.338 -0.118 30 20 DBED N#CCNCc1cn([C@@H]2CCN(C(=O)[C@@H]3COCCO3)C2)nn1 1098622529 LDCAZVTUOGDMAP-OLZOCXBDSA-N 320.353 -0.920 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2snnc2C)[C@H](O)C1 1099651061 OSHBCEVMMIOZGQ-VXGBXAGGSA-N 324.406 -0.339 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(Cc2nccn2C)C[C@H]1O 1099741158 OQEJQGVCSXKTDC-CHWSQXEVSA-N 308.382 -0.326 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CCN(CC2CCC2)C[C@H]1O 1099789696 QGACNTSVTCUDTF-UONOGXRCSA-N 307.394 -0.523 30 20 DBED N#CCN1CC[C@H](NC(=O)CCn2ccccc2=O)[C@H](O)C1 1099857724 AXCREXOMJJTLAV-QWHCGFSZSA-N 304.350 -0.687 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)C(C)(C)S(C)(=O)=O)[C@H](O)C1 1100021974 FKCBVCSUSQOWLZ-NWDGAFQWSA-N 318.439 -0.063 30 20 DBED C#CCNC(=O)CC(=O)NCCN(C)c1ncc(Cl)cn1 1100037547 FMBFTUSYRMIMKA-UHFFFAOYSA-N 309.757 -0.178 30 20 DBED C#CCN1CC[C@H](NC(=O)CCCCCNC(C)=O)[C@@H](O)C1 1100101048 GBGJTNVBAUKNOA-GJZGRUSLSA-N 309.410 -0.133 30 20 DBED Cc1cc(CC(=O)NCC2CC(NCC(=O)NCC#N)C2)no1 1100201710 OOGYGQQDIJGWEM-UHFFFAOYSA-N 319.365 -0.350 30 20 DBED CN(C)C(=O)CC(=O)NC[C@H]1CCCN1c1ccnc(C#N)n1 1100913556 LHKLJTZCCGJHIK-LLVKDONJSA-N 316.365 -0.088 30 20 DBED N#Cc1nccnc1N1CC[C@H](CNC(=O)Cc2nc[nH]n2)C1 1101011851 LYLOZBYOMQCFNO-SNVBAGLBSA-N 312.337 -0.348 30 20 DBED C=CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 1102368144 HPMFWZYSTVAMBM-LPWJVIDDSA-N 322.409 -0.906 30 20 DBED COCC(=O)N(C)CCN1CCN(c2ccc(C#N)nn2)CC1 1102414234 SLWWZMVXHWBEHB-UHFFFAOYSA-N 318.381 -0.425 30 20 DBED CC[C@H](CNC(=O)CCn1cnnn1)Nc1nccnc1C#N 1103173568 KYEANMIJXHEUDJ-SNVBAGLBSA-N 315.341 -0.268 30 20 DBED CC[C@H](CNC(=O)Cn1nccn1)Nc1cnc(C#N)cn1 1103213980 HEIHRSWXACOLRI-SNVBAGLBSA-N 300.326 -0.053 30 20 DBED C[C@H](CN=c1cc[nH]cc1C#N)CNC(=O)[C@@H]1CNC(=O)N1 1104183190 BYWQEESFLGCXQN-SKDRFNHKSA-N 302.338 -0.779 30 20 DBED C[C@H](CNC(=O)[C@H]1CNC(=O)N1)CNc1ccc(C#N)nc1 1104184104 VNIFAYODGLVFHU-JOYOIKCWSA-N 302.338 -0.201 30 20 DBED C[C@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)CNc1ccc(C#N)nn1 1104208480 AEXZNDYAOLJFJT-GDPRMGEGSA-N 302.338 -0.366 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)C1CS(=O)(=O)C1 1104696835 BMLLHFVLBBZUMU-SECBINFHSA-N 323.378 -0.926 30 20 DBED CC(C)[C@H](CNC(=O)Cn1ncnn1)Nc1cnc(C#N)cn1 1105234503 AQFKNZWCFDVMAU-NSHDSACASA-N 315.341 -0.412 30 20 DBED CC#CCNCc1cn(C2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)nn1 1105235407 DPVBYMAUNQLZAC-CHWSQXEVSA-N 318.337 -0.561 30 20 DBED C#CCNC(=O)CC(=O)N(C)CCN(C)c1ccnc(C)n1 1105368110 BZAMXZJXQNHOIY-UHFFFAOYSA-N 303.366 -0.181 30 20 DBED CNC(=O)CC(=O)N[C@H]1CCC[C@@H]1CN=c1cc[nH]c(C#N)n1 1105662375 HDROVHPQBOQVKD-MNOVXSKESA-N 316.365 -0.397 30 20 DBED N#CCSCC(=O)NC[C@H](O)CNc1nccnc1C#N 1105753508 ACBXIDGCZOAFED-VIFPVBQESA-N 306.351 -0.506 30 20 DBED CNC(=O)CC(=O)NC[C@H](O)CNc1ccc(C#N)c(C)n1 1105798703 JLYSMTVXOWHVKZ-LLVKDONJSA-N 305.338 -0.713 30 20 DBED N#Cc1nc(=NC[C@H](O)CNC(=O)C2[C@@H]3CCC[C@@H]23)cc[nH]1 1105807828 GOEWFGBTXMBEBR-HBNTYKKESA-N 301.350 -0.295 30 20 DBED N#Cc1cncc(NC[C@@H](O)CNC(=O)CC2OCCCO2)n1 1105810257 QQNMJFBNYXCYGI-LLVKDONJSA-N 321.337 -0.610 30 20 DBED Cc1nc[nH]c1C(=O)NC[C@@H](O)CNc1cnc(C#N)cn1 1105888816 ZFRUXXXCIMBWHO-JTQLQIEISA-N 301.310 -0.417 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H](O)CNc1nccnc1C#N 1105970428 HNUZICFJGQSNTH-QWRGUYRKSA-N 303.322 -0.724 30 20 DBED Cc1nc(O)[nH]c1C(=O)NC[C@H](O)CNc1cnc(C#N)cn1 1106001359 UBHXLLKMTYGANZ-SECBINFHSA-N 317.309 -0.712 30 20 DBED N#Cc1nc(=NC[C@H](O)CNC(=O)c2ccc(Cl)[nH]2)cc[nH]1 1106087885 WCOJWYIYTLUKLE-QMMMGPOBSA-N 320.740 -0.046 30 20 DBED CO[C@H](C(=O)NC[C@H](O)CNc1cncc(C#N)n1)C(C)C 1106092637 KCNRSJRCHYPJAB-YPMHNXCESA-N 307.354 -0.092 30 20 DBED C=CCNC(=O)CN1CC(n2cc(CNC(=O)C(C)C)nn2)C1 1107125930 GRICRVAOJGOFDM-UHFFFAOYSA-N 320.397 -0.291 30 20 DBED C=CCCN1CCO[C@](C)(CNC(=O)CS(C)(=O)=O)C1 1107786446 YGCCFBVKTXUDCP-CYBMUJFWSA-N 304.412 -0.186 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H](C)CNc1nccn2nnnc12 1107948494 VQNJAKGCIMTIAE-NXEZZACHSA-N 303.326 -0.526 30 20 DBED C[C@@]1(CNC(=O)C(=O)NCC(F)F)CN(CC#N)CCO1 1108039533 CBGJXQUVQFGSKU-GFCCVEGCSA-N 304.297 -0.902 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)[C@H]2CCCCC(=O)N2)C1 1108207812 RPJCUTHVKFABRV-CZUORRHYSA-N 307.394 -0.115 30 20 DBED C=CCCN1CC(N2C[C@@H](NC(=O)CC(=O)N(C)C)CC2=O)C1 1108576158 OTBZMNKURXGAQW-LBPRGKRZSA-N 322.409 -0.558 30 20 DBED CNC(=O)CN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CSCC#N)C2 1108625074 SMUAOXOAPHRZGB-SRVKXCTJSA-N 310.423 -0.042 30 20 DBED CC(=O)N[C@@H](C)C(=O)NCC1(Nc2ccnc(C#N)n2)CC1 1110056007 CQHRJABWBVEFSA-VIFPVBQESA-N 302.338 -0.066 30 20 DBED N#Cc1c[nH]ccc1=NC1(CNC(=O)CNC(=O)C2CC2)CC1 1110061917 SSHPYRCZFJRTJX-UHFFFAOYSA-N 313.361 -0.038 30 20 DBED C[C@@]1(C(=O)NCC2(Nc3ccnc(C#N)n3)CC2)CNC(=O)C1 1110287518 GPDWZKQYVHIVDU-AWEZNQCLSA-N 314.349 -0.065 30 20 DBED C=CCOCC(=O)NC[C@]1(O)CCN(c2cnc(F)cn2)C1 1111039662 MNFRCWLQSSWHOO-CQSZACIVSA-N 310.329 -0.124 30 20 DBED N#Cc1cncc(N2CC[C@@](O)(CNC(=O)C#CC3CC3)C2)n1 1111070639 HJDWPIXKEVOLQD-MRXNPFEDSA-N 311.345 -0.181 30 20 DBED C[C@@H](C#N)C(=O)N[C@@]1(CO)CCCN(c2ccc(C#N)nn2)C1 1111342500 AGYYGNLEVAZBBV-NHYWBVRUSA-N 314.349 -0.045 30 20 DBED C#CCO[C@H](C)C(=O)N1CCN(C[C@@H]2CCc3ncnn32)CC1 1112846277 KHJXTUDLSFXTOX-KGLIPLIRSA-N 317.393 -0.052 30 20 DBED C[C@H](N=c1cc[nH]c(C#N)n1)[C@@H](C)NC(=O)C1(C(N)=O)CC1 1113273300 AHMFKSAFOZGIAY-DTWKUNHWSA-N 302.338 -0.659 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@@H](OC)C3CC3)[C@H]2C1 1114203821 JWLQMOKRVAZGND-MXYBEHONSA-N 305.378 -0.793 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)c3cnnn3C)[C@H]2C1 1114203867 KXUSHHYFQKZJSM-DCAQKATOSA-N 318.381 -0.834 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@@H](F)C(F)(F)F)[C@H]2C1 1114309624 ZKPYYCLXIYZBSH-YKDSUIRESA-N 321.274 -0.317 30 20 DBED CC(=O)NCC(=O)NCC1[C@@H]2CN(c3cnc(C#N)cn3)C[C@@H]12 1114503113 HQLVTFZFJILYGP-STQMWFEESA-N 314.349 -0.717 30 20 DBED C[C@H](CCCNc1nccnc1C#N)NC(=O)Cn1cnnn1 1114839365 YRYTWMUKHNPNSH-SNVBAGLBSA-N 315.341 -0.268 30 20 DBED N#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3nccs3)[C@H]2C1 1115007047 CYRBTDHMNXZAMX-JZYVYDRUSA-N 305.363 -0.557 30 20 DBED N#Cc1nc(=NCCCOCCNC(=O)[C@@H]2CCCO2)cc[nH]1 1115379554 OCQVUATVKIFKIN-LBPRGKRZSA-N 319.365 -0.116 30 20 DBED C[C@@H](C#N)C(=O)NCCOCCCNc1nccn2nnnc12 1115391187 VBRMTFQCVBKMOE-JTQLQIEISA-N 318.341 -0.386 30 20 DBED CCC[C@@H](CCCS(C)(=O)=O)C(=O)NCC(=O)NCC#N 1117320351 HNVXSOQNIRWWAO-NSHDSACASA-N 317.411 -0.017 30 20 DBED CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)OCC(=O)NCC#N 1118475169 YOWBINUBGICTME-LLVKDONJSA-N 317.367 -0.724 30 20 DBED Cc1cc(C#N)nc(N[C@H](CO)CNC(=O)c2cc(C)[nH]n2)n1 1121119285 BSWOFHPVEBPHDO-NSHDSACASA-N 315.337 -0.109 30 20 DBED C=CCOCc1nnc(N2CCC(OCC(N)=O)CC2)n1C 1121449249 SPAODCMUSXMLQV-UHFFFAOYSA-N 309.370 -0.012 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)CCCC(N)=O)cn1 1121711235 MADDYASCAMQNMU-GFCCVEGCSA-N 305.338 -0.502 30 20 DBED N#Cc1nccnc1N[C@H](CO)CNC(=O)CCCCC(N)=O 1122044490 HTGDDJZYLXAPLZ-JTQLQIEISA-N 320.353 -0.717 30 20 DBED CN(C[C@@H](O)CNc1ccc(C#N)nc1)C(=O)[C@H]1CCC(=O)N1 1124207018 JBSNYXTWWVVWJT-QWHCGFSZSA-N 317.349 -0.537 30 20 DBED CN(C[C@@H](O)CNc1ccc(C#N)nn1)C(=O)CC(C)(C)O 1124290286 PCJBZTWSRXVNFK-NSHDSACASA-N 307.354 -0.260 30 20 DBED CN(C[C@H](O)CN(C)c1nccnc1C#N)C(=O)c1cn[nH]c1 1125030139 QAGUBWLXMKYVEE-LLVKDONJSA-N 315.337 -0.359 30 20 DBED CNC(=O)CC(=O)N(C)C[C@@H](O)CN(C)c1ccncc1C#N 1125069092 DYJPRCVQKHDMEQ-LBPRGKRZSA-N 319.365 -0.655 30 20 DBED CCNC(=O)NC(=O)CNCCNC(=O)c1cc(C#N)c[nH]1 1125391311 YKCXETHSSAGTID-UHFFFAOYSA-N 306.326 -0.949 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)[C@@H]2CCNC(=O)C2)C1=O 1125631110 SPFVDYSXBVPWGI-NEPJUHHUSA-N 308.382 -0.995 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CCc2nnc(CNCCO)n2CC1 1127997236 KUSWJVVQZMOWFM-CYBMUJFWSA-N 317.393 -0.406 30 20 DBED C#CCN1CCn2ncc(CNC(=O)C(C)(C)C(N)=O)c2C1 1128386422 FVHAZDGQUPQTHC-UHFFFAOYSA-N 303.366 -0.540 30 20 DBED C=C(C)CN1C[C@H](n2ccnn2)[C@H](NC(=O)C2(C(N)=O)CC2)C1 1129224311 ZULDCCRLRNYGCB-NEPJUHHUSA-N 318.381 -0.539 30 20 DBED CC#CCN[C@@H]1CN(C(=O)c2cocn2)C[C@@H]1n1ccnn1 1129670990 DQVJZLUDGSWUCQ-YPMHNXCESA-N 300.322 -0.055 30 20 DBED C#CCCN[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]1n1ccnn1 1130137309 SFJGCVMTRQGXMA-CABCVRRESA-N 318.425 -0.017 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)[C@]2(C)CCNC(=O)C2)C1=O 1130205107 GSXLIYOQLWKXBL-MLGOLLRUSA-N 322.409 -0.605 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)C2=COCCO2)CC[C@H]1C 1131767543 BOFZTGMSYDKGLH-OLZOCXBDSA-N 321.377 -0.407 30 20 DBED C[C@H]1CC[C@@H](NC(=O)CC(=O)N(C)C)CN1CC(=O)NCC#N 1132343556 JBSRCZJCTWUQPK-NWDGAFQWSA-N 323.397 -0.926 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)CN2CCC[C@H]2C)C1=O 1133824040 WJWXKCVNWSKRML-ZIAGYGMSSA-N 308.426 -0.037 30 20 DBED Cc1c[nH]nc1C(=O)N1CC2(CCN(CC(=O)NCC#N)C2)C1 1147506125 DETCYZLIVFKRQY-UHFFFAOYSA-N 316.365 -0.494 30 20 DBED CNC(=O)C1(C(=O)N2CC3(CCN(CC#CCOC)C3)C2)CC1 1148436465 ZVUIOROOQBAPIL-UHFFFAOYSA-N 319.405 -0.303 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CN(CC(=O)NC2CC2)CCCO1 1149409504 UTQQSDJCEOLBIR-AAEUAGOBSA-N 308.382 -0.368 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(Cc2ncnn2C)CCCO1 1149432296 RKZYFNBRWXVCQP-ZDUSSCGKSA-N 323.397 -0.275 30 20 DBED C=CCOCCNCCNC(=O)c1nc2nccc(C)n2n1 1149865895 RVMVHHLHGSJZIW-UHFFFAOYSA-N 304.354 -0.045 30 20 DBED COCC#CCNCCNC(=O)c1nc2nccc(C)n2n1 1149866189 XCEYVFTXPQBNJW-UHFFFAOYSA-N 302.338 -0.598 30 20 DBED C#CCCN1CCCO[C@@H](CNC(=O)CCS(C)(=O)=O)C1 1149903258 MGWHZTMVYAUVBX-ZDUSSCGKSA-N 316.423 -0.349 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)CCc2cn(C)nn2)C1 1150842809 YKYNTTFFRUKSHH-CQSZACIVSA-N 305.382 -0.412 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)NCCCN[C@H]1CCN(C)C1=O 1167678061 QFTDSEJTTIDHEC-UONOGXRCSA-N 324.425 -0.216 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2ccc(O)nn2)[C@H]1C 1178063012 ZPXJHTOQUFCAKL-QWRGUYRKSA-N 317.349 -0.876 30 20 DBED CC(C)C#CC(=O)N1CC[C@@H](NCC(=O)N2CCOCC2)C1 1182423048 NTRHFVYZTNHVDE-CQSZACIVSA-N 307.394 -0.305 30 20 DBED C[C@H]1CN(C(=O)CN2CCN(C)C(=O)C2)CC[C@@H]1CNCC#N 1184691769 AUHWREOEDJQXOD-UONOGXRCSA-N 321.425 -0.642 30 20 DBED C#CCNC[C@H]1CCN(C(=O)CN2CCC(=O)NC2=O)C[C@@H]1C 1185446111 KGMJMLCJRMREAS-QWHCGFSZSA-N 320.393 -0.364 30 20 DBED C#CCNC[C@@H]1CCN(C(=O)CN2C(=O)CCC2=O)C[C@@H]1C 1185642952 WDNVFLCNYALUCP-STQMWFEESA-N 305.378 -0.157 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](N(C)CC(=O)NCC#N)C1 1192426830 SVJMRYRXYPHAIZ-MJBXVCDLSA-N 320.393 -0.250 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)[C@H](C)NC(=O)c2ccoc2)C1 1193168023 ZFECWZNWFOOVCE-CYZMBNFOSA-N 307.350 -0.255 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2nocc2C)C1 1193292652 RADKIGHUKAWNLZ-GFCCVEGCSA-N 304.350 -0.121 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)CCc2nccs2)C1 1198820380 PEUAKCBMNOHVKW-CHWSQXEVSA-N 323.418 -0.113 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H](C)OCC=C)C1 1199314138 PLUXQAPJHWQBGW-YNEHKIRRSA-N 311.382 -0.959 30 20 DBED C#CCCNC[C@H]1CN(C(=O)[C@@]2(C)CNC(=O)C2)CCCO1 1201053239 YZTULGPLHQBNLA-XJKSGUPXSA-N 307.394 -0.257 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)[C@H]2C[C@@H]2C)CCCO1 1201169133 RRHQOHQIEGREPH-MJBXVCDLSA-N 307.394 -0.401 30 20 DBED C#CCNC[C@@H]1CN(C(=O)c2ccc(=O)n(CC)n2)CCCO1 1201660205 WMOIVSINWCQNIO-CYBMUJFWSA-N 318.377 -0.283 30 20 DBED C#CCNC(=O)[C@@H](C)NCC1CCN(C(=O)c2cc[nH]n2)CC1 1204566813 ANUYIQJVJYINPB-GFCCVEGCSA-N 317.393 -0.011 30 20 DBED COCC#CCN[C@H]1CCCN(C(=O)[C@@H]2COCCN2C)C1 1207829367 OQFJJKZLKVJNOV-GJZGRUSLSA-N 309.410 -0.453 30 20 DBED CC(C)C#CC(=O)N1CCC[C@@H](N[C@H](C)C(=O)NC(N)=O)C1 1207989384 MEZSHBYHLFTRFE-VXGBXAGGSA-N 308.382 -0.190 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)CCc2cnn[nH]2)[C@H](C)C1 1208722226 RBJQIBPEZDEOMJ-DGCLKSJQSA-N 320.397 -0.524 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2ncccn2)[C@H](C)C1 1209663847 FPLIFETZRNXYMP-VXGBXAGGSA-N 301.350 -0.724 30 20 DBED COCCCNC(=O)CCC(=O)N[C@@H]1CN(CC#N)C[C@H]1C 1210194110 XAJAYDIWNAFIED-CHWSQXEVSA-N 310.398 -0.121 30 20 DBED CO[C@@H]1CN(Cc2nnnn2C2CC2)C[C@H]1NC(=O)[C@H](C)C#N 1212039998 ZOUMJUOACKKJQI-YUSALJHKSA-N 319.369 -0.517 30 20 DBED CO[C@@H]1CN(Cc2n[nH]c(C)n2)C[C@H]1NC(=O)C#CC1CC1 1212250917 LBHQELKRXDPMIM-CHWSQXEVSA-N 303.366 -0.158 30 20 DBED CC#CCN[C@@H]1CN(C(=O)CCCN2C(=O)CNC2=O)C[C@H]1C 1216724692 JUGCSZBTGUHVRQ-CHWSQXEVSA-N 320.393 -0.222 30 20 DBED COCC[C@H](C)C(=O)N1C[C@@H](NCC(=O)NCC#N)[C@H](C)C1 1216795258 LDLGBKJHEPYNBT-YNEHKIRRSA-N 310.398 -0.265 30 20 DBED C=CCO[C@H](C)C(=O)N1C[C@@H](NCC(=O)NC(N)=O)[C@H](C)C1 1216931087 WKUMUNANGXPHGD-GMTAPVOTSA-N 312.370 -0.791 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)COCCC 1217456622 FPHHSYPMWOSDMM-UONOGXRCSA-N 323.393 -0.926 30 20 DBED CC(C)C#CC(=O)N1CCO[C@@H]2CN(Cc3nc(O)n[nH]3)C[C@@H]21 1217852116 CBEVBJKFSVZDHK-NWDGAFQWSA-N 319.365 -0.419 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CN(CC(=O)N2CCCCC2)C[C@@H]1O 1219366097 REIOKFQTQRUBEU-UPJWGTAASA-N 308.382 -0.680 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CN(Cc2ccc(CO)cc2)C[C@@H]1O 1219379012 LGZSZPPAJTVKEQ-DFBGVHRSSA-N 303.362 0.000 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2cnccc2C)C1 1219409275 CAICAFOTMILESI-KGLIPLIRSA-N 318.377 -0.533 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(CCC2CCCC2)C[C@@H]1O 1219492650 UNCIAVWHNDEBRC-CABCVRRESA-N 321.421 -0.133 30 20 DBED CCn1cc(CN2C[C@H](O)[C@H](NC(=O)C#CC(C)C)C2)nn1 1219587593 MQSWUTUCNQAFMY-KGLIPLIRSA-N 305.382 -0.381 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2cnsn2)C[C@@H]1O 1219605706 ZXRYRMZPLRXGIO-JLLWLGSASA-N 310.379 -0.762 30 20 DBED C[C@@H](CC(=O)N[C@@H]1CN(CC#N)C[C@@H]1O)NC(=O)C1CCCC1 1221185441 LTWXYWKZEQGIMU-YUTCNCBUSA-N 322.409 -0.244 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3oncc3C)[C@@H]2C1 1221912872 WJXIAMUDBVRKAI-CHWSQXEVSA-N 316.361 -0.121 30 20 DBED CCOCC(=O)N1CC[C@H]2CCN(CC(=O)NCC#N)[C@H]2C1 1222219634 VALPJIJCANXPGZ-OLZOCXBDSA-N 308.382 -0.415 30 20 DBED C=CCNC(=O)[C@H](C)N1CCC(NC(=O)c2cnon2)CC1 1229671281 ZSQGZEKFKSFYOB-JTQLQIEISA-N 307.354 -0.046 30 20 DBED CCCN(C)CCC(=O)NC1CCN(CC(=O)NCC#N)CC1 1230101185 BTXNTWAJMMERKX-UHFFFAOYSA-N 323.441 -0.061 30 20 DBED C[C@@H](C#N)C(=O)N(C)C[C@H]1CCN1CC(=O)NC1CCOCC1 1231247541 OVLZCYTWBCKHSB-GXTWGEPZSA-N 322.409 -0.026 30 20 DBED C#CCCCC(=O)N(C)C[C@@H]1CCN1CC(=O)NC(=O)NC 1233966171 JLHVVDYZEWELIP-LBPRGKRZSA-N 308.382 -0.222 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@@H]1CN(C)C(=O)c1cn(C)nn1 1234051831 WSVUFYVDKFGYPY-NWDGAFQWSA-N 318.381 -0.901 30 20 DBED C=CCNC(=O)CN1CC[C@H]1CN(C)C(=O)Cc1ccn(C)n1 1234150054 GVKWJJUXMIXHOC-AWEZNQCLSA-N 319.409 -0.203 30 20 DBED N#CCCn1ccc(NC(=O)C(=O)NC[C@@H](O)C(F)(F)F)n1 1255740154 FJJOECVDBWHAOK-SSDOTTSWSA-N 319.243 -0.225 30 20 DBED C#CCCCCNC(=O)C(=O)NCC1(S(C)(=O)=O)CCC1 1259790650 IATFYQQNFKWUOX-UHFFFAOYSA-N 314.407 -0.010 30 20 DBED C#CC[C@H](CCOC)NC(=O)N(C)CCNS(C)(=O)=O 1262004943 LOVKPHVUIBPVMP-LLVKDONJSA-N 305.400 -0.395 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1CCCN(C[C@@H](O)COC)C1 1268195068 ZNCRESPCPACWIX-XHSDSOJGSA-N 323.437 -0.328 30 20 DBED Cn1nnnc1CN1CCC[C@H](NC(=O)CSCC#N)C1 1317956695 WCVWAGQUIOMOOF-JTQLQIEISA-N 309.399 -0.453 30 20 DBED C[C@@H](OC(=O)CCN/C(O)=C1\N=CC=CC1=O)C(=O)N(C)C 1319053991 OKZOQRLRQCPURY-TWLKNAOBSA-N 309.322 -0.077 30 20 DBED C#CCNC(=O)C1CCN(C(=O)N[C@@H](C)C[S@@](C)=O)CC1 1321257885 KVXSWUDMWCCALU-WIUDPPPLSA-N 313.423 -0.076 30 20 DBED CC(=O)N1CCC[C@H](CNC(=O)C(=O)N2CC[C@](F)(C#N)C2)C1 1322727795 MIQJYSZNCYQAKZ-DOMZBBRYSA-N 324.356 -0.175 30 20 DBED COCC[C@H](NC(=O)C(=O)Nc1cccc(C)c1C#N)C(N)=O 1324382528 HXKARBPTTUGUDQ-LBPRGKRZSA-N 318.333 -0.188 30 20 DBED C[C@@H]1CN(C(=O)C(=O)N2CCC[C@](C)(C#N)C2)C[C@H](CO)O1 1325064002 FREOKNPDJHLZEC-LALPHHSUSA-N 309.366 -0.253 30 20 DBED C#CCOc1ccccc1CNC(=O)C(=O)NCC[S@](C)=O 1326498179 JMEMUJSSJLUQSH-QFIPXVFZSA-N 322.386 -0.191 30 20 DBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H]1CCN(CC)C1=O 1329957383 JXMACMITGUAPCE-AVGNSLFASA-N 323.393 -0.179 30 20 DBED C#CCN(CC)c1nnnn1CCCN1CCCS1(=O)=O 1334856337 ARZXRSDHKCHWNI-UHFFFAOYSA-N 312.399 -0.442 30 20 DBED C#CCN(C(=O)C(=O)N[C@@H](CC)C(=O)N1CCOCC1)C(C)C 1341322372 GXGSWLWJXIMKSI-ZDUSSCGKSA-N 323.393 -0.390 30 20 DBED C#CCSCCNC(=O)C(=O)NC[C@H]1CCS(=O)(=O)C1 1345116716 IKOWAAJWWNAWQH-SNVBAGLBSA-N 318.420 -0.980 30 20 DBED C#CCSCCNC(=O)C(=O)N[C@@H]1CCCN(CC)C1=O 1351311944 JVRWGIHGWIGKTM-LLVKDONJSA-N 311.407 -0.404 30 20 DBED COC(=O)C1(C#N)CCN(C(=O)Cn2cc([C@H](C)O)nn2)CC1 1362444718 OZXAUPWUELKELI-JTQLQIEISA-N 321.337 -0.363 30 20 DBED N#CC1(C(=O)NCCc2nnc3n2CCNC3=O)CCCC1 1363400880 KIZVEIMFPKWZMI-UHFFFAOYSA-N 302.338 -0.236 30 20 DBED C=C(Cl)CN(C)CCNC(=O)CN1CCCS1(=O)=O 1377163588 OCMIEVKNUJMQBU-UHFFFAOYSA-N 309.819 -0.178 30 20 DBED C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)[C@@H]1COCCO1 1386716752 VPDJPESXEFRAPU-CABZTGNLSA-N 306.322 -0.464 30 20 DBED CNC(=O)NCC(=O)N1CC[C@@H]1CNC(=O)c1cc(C#N)c[nH]1 1389634632 SFUICAFCAFIGNE-SNVBAGLBSA-N 318.337 -0.854 30 20 DBED C[C@H](C#N)C(=O)NC[C@]1(C)CCN(C(=O)Cn2ncnn2)C1 1394403289 ZBAFRTXJDDGXTC-MFKMUULPSA-N 305.342 -0.812 30 20 DBED CCN(CCNC(=O)[C@@H](C)C#N)C(=O)CNS(=O)(=O)CC 1398138438 QDHSIHWORDBVLS-JTQLQIEISA-N 318.399 -0.950 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CC[C@H](N[C@H](C)C(=O)NC(N)=O)CC1 1401055640 MDYSCIRLCRSBOB-GWOFURMSSA-N 309.370 -0.254 30 20 DBED CO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1NC(=O)C1(CN(C)C)CC1 1406359759 LLRVTOUGFTZXDN-JHJVBQTASA-N 322.409 -0.170 30 20 DBED CCN(CCNC(=O)[C@H]1COC(=O)N1)C(=O)c1ccc(C#N)[nH]1 1408737978 ULIDQQZQGHKJGU-LLVKDONJSA-N 319.321 -0.427 30 20 DBED N#Cc1ccc(CNC(=O)Cn2cnc(C(N)=O)n2)c(F)c1 1411945291 BYUQVCSUVQNTLQ-UHFFFAOYSA-N 302.269 -0.296 30 20 DBED C[C@H](O)[C@H](NC(=O)C1CCCC1)C(=O)N1CC(O)(CC#N)C1 1412030062 ICJGCRDKXXUNBZ-JQWIXIFHSA-N 309.366 -0.471 30 20 DBED C[C@@H]1[C@@H](N(C)C)CCN1C(=O)Cn1cc(C#N)c(O)nc1=O 1413019259 RZEWOXRAYZJZOF-KOLCDFICSA-N 305.338 -0.628 30 20 DBED CCN1CCO[C@@H](C(=O)N2CCC(NC(=O)[C@H](C)C#N)CC2)C1 1414663368 IGLZBBOOKBNJCY-TZMCWYRMSA-N 322.409 -0.026 30 20 DBED CN1CC[C@@H](N2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)C1=O 1415113735 NMMRRGYMQUJVBG-CYBMUJFWSA-N 301.350 -0.125 30 20 DBED CC[C@@H](CNC(=O)c1cccc(C(N)=O)n1)NC(=O)[C@@H](C)C#N 1416242019 NDUNYBVCILVLQK-UWVGGRQHSA-N 317.349 -0.035 30 20 DBED C[C@@H](CN(C)C(=O)c1ncn(C)n1)NC(=O)c1ccc(C#N)[nH]1 1427536874 SATUEEFIBLDRPM-VIFPVBQESA-N 315.337 -0.095 30 20 DBED C=C(Br)CNC[C@@H](C)NC(=O)Cn1cnnn1 1445332446 ORXBFHLKMAQEEK-MRVPVSSYSA-N 303.164 -0.324 30 20 DBED N#Cc1ccncc1N1CCN(C(=O)CCn2cnnn2)CC1 1450477984 VCQVEOPXFBUIQM-UHFFFAOYSA-N 312.337 -0.321 30 20 DBED Cc1nn(C)c(C)c1C(=O)NC[C@@H](O)CNC(=O)[C@H](C)C#N 1452406317 WKLKOBSLNQFSCA-KCJUWKMLSA-N 307.354 -0.596 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]1CN(C)C(=O)CN1CCCNC1=O 1452860133 JMNMKUIUZPUYHU-NEPJUHHUSA-N 321.381 -0.379 30 20 DBED N#Cc1c(F)cc(C(=O)N2C[C@@H](C(N)=O)[C@H](C(N)=O)C2)cc1F 1454177263 XPDXOOXSBSXHMU-RKDXNWHRSA-N 322.271 -0.505 30 20 DBED Cc1nn(C)c(=O)c(C(=O)N2CC(NC(=O)[C@@H](C)C#N)C2)c1C 1456397688 SHJCCJOZYVRHRK-QMMMGPOBSA-N 317.349 -0.503 30 20 DBED COC(=O)[C@@H]1CC[C@H](Nc2c(C#N)c(=O)n(C)c(=O)n2C)C1 1472881146 NOWRBXQOTFBFQV-BDAKNGLRSA-N 306.322 -0.291 30 20 DBED C[C@@H](C#N)C(=O)N1CCCC[C@@H]1CNCCN1C(=O)CNC1=O 1484614307 PMNNBAKDJVNERK-NWDGAFQWSA-N 321.381 -0.331 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)C(=O)NCC2CC2)C1 1491759056 MEDSJSCUJFEOHF-LBPRGKRZSA-N 308.382 -0.995 30 20 DBED C[C@H](C#N)C(=O)NC1CN(C(=O)c2cnc3c(c2)nnn3C)C1 1498383028 BYNHLWZTRWHNAZ-MRVPVSSYSA-N 313.321 -0.536 30 20 DBED C#CCNCC(=O)N1CCN(CC(=O)N2CCCCCC2)CC1 1521173316 PVJDLJLETFPLEA-UHFFFAOYSA-N 320.437 -0.244 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(CCNC(=O)Cn2cccn2)CC1 1524061164 CTCRJMQISASQFY-ZDUSSCGKSA-N 318.381 -0.697 30 20 DBED CCN(CCNC(=O)c1cc(C#N)c[nH]1)C(=O)[C@H]1COCCO1 1528800296 SGQWVFMNYAPTHH-CYBMUJFWSA-N 320.349 -0.120 30 20 DBED CC(=O)N1CCN(c2cnc(C#N)c(-c3nn[nH]n3)n2)[C@@H](C)C1 1573451672 XUTNQEJFQVJXOK-QMMMGPOBSA-N 313.325 -0.415 30 20 DBED C#CCN1CCC(C(=O)N2CCC[C@@H]2C(=O)NCC(=O)O)CC1 1588471462 PLHZXYRCMQNMBF-CYBMUJFWSA-N 321.377 -0.477 30 20 DBED CN(C)CC#CCNC(=O)[C@H](O)c1ccc(-c2nn[nH]n2)cc1 1591012502 RDBGALUVEYRURK-CYBMUJFWSA-N 314.349 -0.419 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@@]1(C(=O)O)CCOC1 1596231638 RGZKCOAKOUJMLM-JQWIXIFHSA-N 319.383 -0.206 30 20 DBED CS(=O)(=O)N1CCN(c2ccc(C(=O)O)nc2C#N)CC1 1599757681 UZGGWLRYPHBDFN-UHFFFAOYSA-N 310.335 -0.267 30 20 DBED CN1CCN(C(=O)CNc2ccc(C#N)cn2)C[C@H](C(=O)O)C1 1606232843 BCOLOLQOCOHRKU-GFCCVEGCSA-N 317.349 -0.160 30 20 DBED COC(=O)c1ccoc1S(=O)(=O)N(CC#N)CC(=O)O 1606623130 RAXYKWWOTNZAGN-UHFFFAOYSA-N 302.264 -0.335 30 20 DBED CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@](O)(CC#N)C1 1647246612 OLIPLDHHFOUTEK-XHDPSFHLSA-N 324.381 -0.730 30 20 DBED C[C@H](CC#N)NC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 1649699540 GKIRHWBAIGBTAV-MXWKQRLJSA-N 313.379 -0.560 30 20 DBED N#CC[C@]1(O)CCN(C(=O)c2sccc2S(N)(=O)=O)C1 1649902789 WUAAOBSAWOEOAV-NSHDSACASA-N 315.376 -0.114 30 20 DBED C=CCCC(=O)N1CCC[C@@](CO)(NC[C@H](O)COC)C1 1673660836 WFDAGLZZVSAGPZ-DZGCQCFKSA-N 300.399 -0.097 30 20 DBED C#CCNC(=O)[C@H](C)N(C)CCCNC(=O)c1nccnc1N 1751953180 RRHVUTBFOZVVBI-NSHDSACASA-N 318.381 -0.752 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1C[C@@H](NC(=O)Cc2cnc(C)o2)C1 1752733172 LRAHLUPVBAMHHJ-WCFLWFBJSA-N 318.377 -0.100 30 20 DBED CC#CCNCCN(C)C(=O)C[C@@]1(C)CCS(=O)(=O)N1 1753256704 BMMMINTZVLKIRL-CYBMUJFWSA-N 301.412 -0.470 30 20 DBED C#CCCN[C@H]1CCN(C(=O)CN2CC(=O)N(C)C2=O)C[C@@H]1C 1753761899 ODRCJLFDCNTNFJ-STQMWFEESA-N 320.393 -0.270 30 20 DBED C#CCNC[C@@H]1CCCC[C@H]1NC(=O)CCS(=O)(=O)NC 1754339173 CTADWFOYJGEVMQ-QWHCGFSZSA-N 315.439 -0.177 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H]2CN(C(=O)c3cocn3)C[C@H]2C1 1754839727 CAGVVSALUXSUAG-UPJWGTAASA-N 316.361 -0.184 30 20 DBED C=CCCC(=O)NC1(CO)CCN(CCS(C)(=O)=O)CC1 1755179326 LKNZSECANKAPON-UHFFFAOYSA-N 318.439 -0.060 30 20 DBED C[C@@H](NCC(=O)NCC#N)[C@@H]1CN(C(=O)C(C)(C)F)CCO1 1755438044 HSHNWQWYCBYSJY-MNOVXSKESA-N 314.361 -0.420 30 20 DBED C[C@H](CCCNCC(=O)NCC#N)NC(=O)c1ccncn1 1755519713 LDEKDHWNPFODBR-LLVKDONJSA-N 304.354 -0.396 30 20 DBED COCC#CCN[C@H](CO)CNC(=O)[C@H]1Cc2cccnc2C1 1755645220 NVIYVGSCPHWQAP-GJZGRUSLSA-N 317.389 -0.487 30 20 DBED N#CCN[C@H](CO)CNC(=O)CNC(=O)c1cccc(F)c1 1755645674 FJCNFGHENTYREV-LBPRGKRZSA-N 308.313 -0.854 30 20 DBED Cc1cc(C(=O)N2C[C@@H](NCC(=O)NCC#N)C[C@H]2C)cnn1 1755676378 VBIRSVSOMRMQDC-YPMHNXCESA-N 316.365 -0.383 30 20 DBED C[C@@H]1[C@@H](NC(=O)CN(C)S(C)(=O)=O)CCCN1CC#N 1755719020 SYJGRNPMRCTXFH-MNOVXSKESA-N 302.400 -0.630 30 20 DBED CNC(=O)CC(=O)N(C)C[C@@H]1CCCN1C(=O)C#CC1CC1 1755915748 JSVSFLMPOJWSNW-ZDUSSCGKSA-N 305.378 -0.015 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H]1C[C@H](CNC(=O)[C@H]2CCN(C)C2)C1 1756250139 HEVLKWZPJGJYDI-AJNGGQMLSA-N 321.421 -0.013 30 20 DBED C[C@@H](C(=O)NC[C@H](CO)NC(=O)C#CC(C)(C)C)n1cncn1 1756514175 TUJMEPQRVXXWRM-NWDGAFQWSA-N 321.381 -0.518 30 20 DBED CC#CCCCC(=O)NC[C@H](O)CN(C)C(=O)[C@H]1CCC(=O)N1 1756657482 YGFOFUQBAACMRO-QWHCGFSZSA-N 323.393 -0.606 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)c2cnn[nH]2)CCCO1 1756841993 XFLGBCGVGBFJQA-GFCCVEGCSA-N 319.365 -0.045 30 20 DBED C#CCOCCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cocn2)C1 1756985534 IJIVSDKYCGUQHA-ZYHUDNBSSA-N 307.306 -0.984 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@H](NC(=O)[C@]2(C)CCC(=O)N2)C1 1757208426 IHASXXBVROHXFQ-WQGACYEGSA-N 321.377 -0.998 30 20 DBED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)N(C)CC)C2)C1 1782620822 VOUBAQWSQXJTGV-BBRMVZONSA-N 307.394 -0.210 30 20 DBED C#CCCC(=O)N1CCO[C@]2(CCN(C(=O)CNC(C)=O)C2)C1 1783150028 KUTXVSCKATVNMQ-INIZCTEOSA-N 321.377 -0.634 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1CCCC1)C2 1800455966 AORLBMLGCHFKTE-XOIINTDNSA-N 319.405 -0.305 30 20 DBED CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)Cn1cnc(C#N)n1 27723864 BRRJJAYIHCQVQK-ZDUSSCGKSA-N 324.344 -0.151 30 20 DBED C[C@@H](CN1CCOCC1)NS(=O)(=O)c1ccc(C#N)nc1 165955764 DTGLNGSNIUTQAS-NSHDSACASA-N 310.379 -0.048 30 20 DBED Cc1cc(C#N)ccc1S(=O)(=O)N[C@@H]1CC(=O)N(C)C1=O 234316478 WMCZJOJHVSSBAK-SNVBAGLBSA-N 307.331 -0.098 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)c2cnn(C)c2C)CC1 265086024 YNPIGAVJZSEDFJ-UHFFFAOYSA-N 317.393 -0.374 30 20 DBED C=CCNC(=O)CNS(=O)(=O)c1c[nH]c(C(=O)OC)c1 272057545 OMQNEKYIAVGUDP-UHFFFAOYSA-N 301.324 -0.618 30 20 DBED COC(=O)[C@H](CO)NS(=O)(=O)c1ccc(F)cc1C#N 273601125 NJJZOHZVKRXBOW-VIFPVBQESA-N 302.283 -0.490 30 20 DBED COC(=O)[C@H]1C[C@@H](O)CN1CC(=O)NCc1ccc(C#N)cc1 276672222 VARGOHQTNYDEDO-ZIAGYGMSSA-N 317.345 -0.217 30 20 DBED C=C[C@H](CO)NC(=O)NCCS(=O)(=O)NCC1CCC1 290845975 CHCHBOOCWBGQAO-LLVKDONJSA-N 305.400 -0.448 30 20 DBED C#CCN(C)CCCNC(=O)C(=O)Nc1c(C)ccn(C)c1=O 293463603 UHQWXINNQGRCSX-UHFFFAOYSA-N 318.377 -0.296 30 20 DBED C#CCN(C)CCCNC(=O)NCCS(=O)(=O)N(C)C 297050160 KYGUKQRIHOFQCM-UHFFFAOYSA-N 304.416 -0.868 30 20 DBED Cn1c(N2CC[C@H](N3CCCC3)C2)c(C#N)c(=O)n(C)c1=O 301162982 SWTLJQKHCSAKJH-NSHDSACASA-N 303.366 -0.370 30 20 DBED N#Cc1ccsc1NC(=O)CN1CC[C@H](S(N)(=O)=O)C1 330470885 MVUPVVJWYDXPGN-VIFPVBQESA-N 314.392 -0.079 30 20 DBED C=CCN(C(=O)CNS(=O)(=O)CC)[C@@H]1CCS(=O)(=O)C1 330481620 RVFSRNBBWOOWNO-SNVBAGLBSA-N 324.424 -0.873 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@H]2CC(=O)N[C@H](C)C2)CC1 330874817 WBGOMVNBSJLCRU-CHWSQXEVSA-N 322.409 -0.653 30 20 DBED COCCN(CCOC)S(=O)(=O)N1CCO[C@H](C#N)C1 336885970 FYNFPKKFDFJCMP-LLVKDONJSA-N 307.372 -0.950 30 20 DBED N#CC1(NC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)CCC1 340636539 UFYVKMIRZKJTND-LSKIRQOJSA-N 303.318 -0.289 30 20 DBED N#CCNC(=O)CNC(=O)Cn1cc(Br)cn1 343514914 DUKOKCBTSKKXRY-UHFFFAOYSA-N 300.116 -0.598 30 20 DBED CCOC1CC(N(C)S(=O)(=O)N2CCO[C@H](C#N)C2)C1 345035172 GLIYHXLISNEGHU-HTAVTVPLSA-N 303.384 -0.045 30 20 DBED C=CCNC(=O)NC(=O)CN1C[C@@H](C)S(=O)(=O)[C@H](CC)C1 347323476 VRSXCJYPUNQEIT-GHMZBOCLSA-N 317.411 -0.104 30 20 DBED Cc1onc(CC(=O)NCCS(=O)(=O)NC(C)C)c1C#N 354371765 JXMHRFAFNXCSCL-UHFFFAOYSA-N 314.367 -0.159 30 20 DBED N#Cc1ccc(S(=O)(=O)CC(=O)N2CCNC(=O)C2)cc1 359173481 UOBGEYWFIZJHNE-UHFFFAOYSA-N 307.331 -0.710 30 20 DBED COc1cc(C#N)ccc1S(=O)(=O)NC[C@]1(O)CCOC1 361960646 BKRUACQSBMDFMZ-CYBMUJFWSA-N 312.347 -0.003 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC[C@H]1C(=O)N(C)C 407957674 ZTPDORBLTAQMAB-QWRGUYRKSA-N 302.400 -0.125 30 20 DBED C#CCNC(=O)C1CCN(C(=O)[C@H]2CN3CCCN2CC3)CC1 491203774 YXBGMKSDDHWWCN-OAHLLOKOSA-N 318.421 -0.636 30 20 DBED C#CCN(C)CCCNC(=O)C(=O)Nc1cnn(CCOC)c1 491210010 OWULXJSIRHHZQI-UHFFFAOYSA-N 321.381 -0.461 30 20 DBED C#C[C@H](CC)NS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 491373243 MGDXIUOSYRARSD-MRVPVSSYSA-N 307.331 -0.094 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)CN2CC[C@H](C)C2)CC1 491690650 MSCOKEDDTDMNCN-HNNXBMFYSA-N 320.437 -0.388 30 20 DBED N#Cc1ccccc1OC[C@H](O)CN1CCN(CC(N)=O)CC1 528346494 WELTXPOCCUAFIH-CQSZACIVSA-N 318.377 -0.599 30 20 DBED COC(=O)CN(CC#N)S(=O)(=O)[C@@H]1CCC[C@H]1C(=O)OC 530538087 AYYYJPVMCBGEDA-NXEZZACHSA-N 318.351 -0.344 30 20 DBED O=C1NC(=O)N2CCN(C(=O)NCC#Cc3ccccc3)C[C@H]12 545413578 XVGMENYHRDGVNW-CYBMUJFWSA-N 312.329 -0.016 30 20 DBED Cn1c(=O)c2cc(C(=O)N3CC(C#N)C3)n(C)c2n(C)c1=O 590481930 ISNJQZWWRNQTON-UHFFFAOYSA-N 301.306 -0.829 30 20 DBED Cn1nnc2c(=O)n(CC(=O)NC3(C#N)CCCCC3)cnc21 592353784 ZWAYWMJURWDWQY-UHFFFAOYSA-N 315.337 -0.132 30 20 DBED CC[C@H](C#N)C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 593409140 LAFLQWOYILTWQY-GFCCVEGCSA-N 306.366 -0.171 30 20 DBED COCCOCCN(CCO)S(=O)(=O)CC1(C#N)CC1 599390997 STMAQHQLOAHIGT-UHFFFAOYSA-N 306.384 -0.423 30 20 DBED CCN1CCN(CC(=O)N[C@@]2(C#N)CCSC2)C(=O)C1=O 604437427 UUYJBTXTAQBYNR-CYBMUJFWSA-N 310.379 -0.807 30 20 DBED CN(C(=O)COC(=O)Cn1ccc(O)nc1=O)C(C)(C)C#N 729831689 YZUCDBGUAKFWDT-UHFFFAOYSA-N 308.294 -0.747 30 20 DBED N#CCNC(=O)COC(=O)CCn1cnc2ccccc2c1=O 731237448 IUAVVDOQPVJVIT-UHFFFAOYSA-N 314.301 -0.030 30 20 DBED N#Cc1nc(NC(=O)c2ccc(-c3nn[nH]n3)cn2)[nH]c1C#N 737732116 WAELBWSNXGUOEL-UHFFFAOYSA-N 306.249 -0.020 30 20 DBED C#CCCN1CCN(S(=O)(=O)N(C)C2CCOCC2)CC1 739950454 PVDKBXCQUVLGGA-UHFFFAOYSA-N 315.439 -0.017 30 20 DBED C#CCCCNC(=O)NCCS(=O)(=O)N1CCOCC1 743690746 WKCCFDKGSPZVIP-UHFFFAOYSA-N 303.384 -0.639 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCCc2ccnn2C)C1=O 762489424 KCXZOPFVKAWBPQ-UHFFFAOYSA-N 319.321 -0.944 30 20 DBED C[C@H](C#N)COC(=O)CCc1nc2c(O)nc(=O)n(C)c2[nH]1 770744827 WJKSHRQKGNJJBK-SSDOTTSWSA-N 305.294 -0.002 30 20 DBED CNS(=O)(=O)CCNC(=O)Cc1cccc(OCC#N)c1 784705196 HZCUJWCTTZWULX-UHFFFAOYSA-N 311.363 -0.203 30 20 DBED C#CCNC(=O)CONC(=N)c1cnc(OCC(F)F)cn1 800872749 HSQBEFBNZBEDQS-UHFFFAOYSA-N 313.264 -0.284 30 20 DBED CCOCCCNC(=O)[C@H](C#N)C(=O)CCn1ncn(C)c1=O 815904729 ODCQRQGXOYUIDX-LLVKDONJSA-N 323.353 -0.776 30 20 DBED C=CCC1(S(=O)(=O)NC(=O)CCn2ncn(C)c2=O)CC1 816088285 FOYBXKODELADCD-UHFFFAOYSA-N 314.367 -0.473 30 20 DBED C#CCN(C)CCCNC(=O)c1cn(C)c2c(cnn2C)c1=O 818584011 ADLHWUWVIJIHNG-UHFFFAOYSA-N 315.377 -0.043 30 20 DBED C#CCNC(=O)CCNCCNS(=O)(=O)Cc1ccccc1 818956958 CTWCXAWKPKVZGZ-UHFFFAOYSA-N 323.418 -0.165 30 20 DBED CN(C)C(=O)CCN1CCN(C(=O)[C@](C)(C#N)CC(=O)O)CC1 820530474 NKAJPGILIAIVGG-HNNXBMFYSA-N 324.381 -0.387 30 20 DBED COC(=O)N1C[C@H]2C=C[C@H]1[C@H](C(=O)N[C@H]1CNC[C@@H]1C#N)C2 834484435 IUJRSXGTLPDKIV-WJTVCTBASA-N 304.350 -0.143 30 20 DBED C#CCN(CC(=O)O)S(=O)(=O)c1cnc(NC(C)=O)s1 849219820 XTEVWFCDMXEEBP-UHFFFAOYSA-N 317.348 -0.190 30 20 DBED C#CCn1ccc(CN(CC)C(=O)[C@@H]2OCCN(C)C2=O)n1 907838355 NIBZTAONHSDACH-CYBMUJFWSA-N 304.350 -0.278 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H](C)C#N)C1 938170868 QOQCPFNEDWBNQC-IHRRRGAJSA-N 302.378 -0.039 30 20 DBED CCN(C(=O)c1c[nH]c(=O)cn1)[C@@H]1CCN(C(=O)[C@@H](C)C#N)C1 942942160 ZVAWTQLAPDBRHW-WDEREUQCSA-N 317.349 -0.007 30 20 DBED O=C(NC[C@H]1CN(C(=O)C#CC2CC2)CCO1)c1cccnn1 944741629 HELUWGOQTDYTJK-ZDUSSCGKSA-N 314.345 -0.153 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C[C@@H]1C 947761564 MWEPSLMZMMJHJW-NWDGAFQWSA-N 318.377 -0.700 30 20 DBED C#CCCN1CCC2(CC1)CN(C(=O)[C@@H]1CNC(=O)N1)CCO2 949174335 QHCVNJGDERNKRF-ZDUSSCGKSA-N 320.393 -0.616 30 20 DBED Cc1nn[nH]c1C(=O)N1CC[C@@H]1CNC(=O)c1ccc(C#N)[nH]1 949450331 YZABFPQMWJENSD-SNVBAGLBSA-N 313.321 -0.043 30 20 DBED C#CCOc1ccc(C(=O)NC[C@@H]2CCN2C(=O)C(N)=O)cc1 950049440 YYFTYBYTXPTLNC-LBPRGKRZSA-N 315.329 -0.485 30 20 DBED CC#CCN1CCN(C(=O)C[C@@]2(C)CCS(=O)(=O)N2)CC1 957461853 HMUVSGIRGHRIBJ-CQSZACIVSA-N 313.423 -0.374 30 20 DBED C#CCCN1C[C@H](O)[C@H](CNC(=O)c2ccc3nn[nH]c3n2)C1 958120656 BCXXWEPBUWISNH-MFKMUULPSA-N 314.349 -0.601 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2ccnc3c2CC(=O)N3)C1 958215526 XAOQNSJNCABFQO-ZWNOBZJWSA-N 314.345 -0.768 30 20 DBED C#CCCN1C[C@@H](O)[C@H](CNC(=O)c2c(O)nnc(C)c2C)C1 958313054 IWBKXJZARKZNMP-CHWSQXEVSA-N 318.377 -0.155 30 20 DBED N#CCN1C[C@H](O)[C@H](CNC(=O)c2ccc3oc(O)nc3n2)C1 958582003 WODGAQUUOIATME-SCZZXKLOSA-N 317.305 -0.526 30 20 DBED COCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]c(C#N)c2)C1 958828696 QPNRGOAWPWLSPE-RYUDHWBXSA-N 306.322 -0.824 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H]2CN(C(=O)c3cn(C)cn3)C[C@@H]21 960880070 IANYUOLASVXBKB-WCFLWFBJSA-N 317.349 -0.368 30 20 DBED CC#CCN1C[C@H]2[C@H](NC(=O)c3ccoc3CC(N)=O)[C@H]2C1 961594003 CBHJNUJKCBDQTK-JYAVWHMHSA-N 301.346 -0.009 30 20 DBED CC#CCN1C[C@H]2C(NC(=O)[C@@H]3CCc4nnn(C)c4C3)[C@@H]2C1 961604586 CIBCPBFZLWOYNR-JHJVBQTASA-N 313.405 -0.010 30 20 DBED CC#CCN1C[C@H]2[C@H](NC(=O)c3cnn4c(=O)cc[nH]c34)[C@H]2C1 961985465 UUACOVOBGCOQGF-IMRBUKKESA-N 311.345 -0.294 30 20 DBED N#CCN1C[C@H]2[C@H](NC(=O)c3cn([C@@H]4CCOC4)nn3)[C@H]2C1 962221236 HTJCCXPALKGUKV-DCQANWLSSA-N 302.338 -0.577 30 20 DBED C#CCCN1C[C@H]2[C@H](NC(=O)c3cn([C@H]4CCOC4)nn3)[C@H]2C1 962232830 SNBVSWMUAHKGKQ-RMRHIDDWSA-N 315.377 -0.077 30 20 DBED O=C(NC[C@H]1COCCN1C(=O)C#CC1CC1)c1cnccn1 964068883 SRUYSLOMECGGLO-ZDUSSCGKSA-N 314.345 -0.153 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)c1cnn(C)c1 964070194 HFLJCAUQZUKARB-JQWIXIFHSA-N 305.338 -0.463 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)c1ncccc1O 964161318 ZWANIMIFEUDVPT-WDEREUQCSA-N 318.333 -0.096 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CCC(=O)N1 968675398 FSZVDNAUJARYKV-NNYUYHANSA-N 304.350 -0.374 30 20 DBED N#Cc1cc(C(=O)N2[C@H]3CC[C@H]2CN(C(=O)C(N)=O)C3)c[nH]1 968875912 VJMHRARIQOHSKP-QWRGUYRKSA-N 301.306 -0.813 30 20 DBED CN(C)C(=O)CN1C[C@H]2C(CNC(=O)c3ccc(C#N)[nH]3)[C@@H]2C1 978016326 ATKAGPPXVPRTRM-STQMWFEESA-N 315.377 -0.118 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](CNC(=O)c2ccc(O)nn2)C1 983212439 FOZAXMFKLNESEY-VHSXEESVSA-N 303.322 -0.080 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](CNC(=O)c2cn(C)c(=O)n2C)C1 983219752 DQEBKWRRSWKQRE-GHMZBOCLSA-N 319.365 -0.538 30 20 DBED C=CCN1CC[C@H](N(C)C2CCN(C(=O)CC(N)=O)CC2)C1=O 985347997 JRZSMOBSLZWGBR-ZDUSSCGKSA-N 322.409 -0.429 30 20 DBED C[C@@H]1[C@H](NCC(=O)N2CCOCC2)CCN1C(=O)C#CC1CC1 986278092 KIEIOPZTFCXSHF-UKRRQHHQSA-N 319.405 -0.162 30 20 DBED C#Cc1cncc(C(=O)N2CC(NC(=O)c3nnn(C)c3C)C2)c1 990600291 CYIMLTCLVWVPHT-UHFFFAOYSA-N 324.344 -0.246 30 20 DBED C[C@]1(C(=O)N2CC(NC(=O)c3cc(C#N)c[nH]3)C2)CNC(=O)C1 990702912 FUQPGPMKWLNBEB-OAHLLOKOSA-N 315.333 -0.647 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CCC(=O)N2)C1 992067012 MHRWJXLCSURAFM-AGIUHOORSA-N 321.377 -0.427 30 20 DBED COc1coc(C(=O)NC2CN(C(=O)[C@H](C)C#N)C2)cc1=O 995607061 QSFBYGYSDCKDTD-MRVPVSSYSA-N 305.290 -0.251 30 20 DBED CO[C@H]1C[C@H](C(=O)NCC2=CCN(CC#N)CC2)N(C(C)=O)C1 1000998287 BPAZTMPKIJQVOQ-LSDHHAIUSA-N 320.393 -0.106 30 20 DBED CN(C)C(=O)Cn1cc(C(=O)N2CCC[C@@H](NCC#N)C2)nn1 1001000639 SPLQIUATIDPTQS-LLVKDONJSA-N 319.369 -0.916 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2C(NC(=O)c3nccnc3N)[C@@H]2C1 1012877733 CFNAHWISYOZWIE-IWSPIJDZSA-N 300.322 -0.595 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@]2(NC(=O)c3nnn(C)n3)CCC[C@@H]12 1014390180 AMHMAXSIPHUOIY-RULNRJAQSA-N 317.353 -0.377 30 20 DBED C#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)CCc1nnc(O)nc1O 1017695737 AKWRXLJMEIAGRD-PHIMTYICSA-N 317.349 -0.476 30 20 DBED C#CCCN1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1COCCN1C(C)=O 1018290758 AWGPUYAPKZKYLJ-XHSDSOJGSA-N 319.405 -0.068 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)c2cn(C)c(=O)n2C)[C@@H]1C 1020537078 LBLHHUCYTGLKLV-DCAQKATOSA-N 319.365 -0.397 30 20 DBED C#CCCN1[C@H]2CC[C@H]1CC(NC(=O)C[C@@H]1NC(=O)NC1=O)C2 1021284563 MDBLXJXFVJDZOT-AVGNSLFASA-N 318.377 -0.281 30 20 DBED Cc1cncc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2O)c1 1023276851 YQJXQVSEJOTDLP-CYZMBNFOSA-N 302.334 -0.149 30 20 DBED COc1ncnc(OC)c1C(=O)N1C[C@@H]2C[C@H]1CN2CC#N 1032816754 CEBVUKDAKMOHDQ-UWVGGRQHSA-N 303.322 -0.084 30 20 DBED CC1(C)C(=O)NC(=O)N1CC(=O)N[C@H]1CC[C@H](NCC#N)CC1 1034771465 YLSLQOHRSLIXEG-XYPYZODXSA-N 321.381 -0.143 30 20 DBED CC#CCN1CC2(CCN(C(=O)Cn3ncn(C)c3=O)CC2)C1 1035737040 PLIBBZMFIYTRKG-UHFFFAOYSA-N 317.393 -0.471 30 20 DBED C#CCN[C@H]1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)C[C@H]1C 1036057572 NBLPJTQWTUPASX-OLZOCXBDSA-N 318.377 -0.993 30 20 DBED N#CCN1CC[C@@H]2CN(C(=O)c3nnc(O)nc3O)CC[C@@H]21 1036763027 UKCFQAXXENILLF-BDAKNGLRSA-N 304.310 -0.657 30 20 DBED CC#CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1ccc(S(N)(=O)=O)o1 1037490744 QWROVMQOJCZPPW-GBIKHYSHSA-N 323.374 -0.247 30 20 DBED C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1c(O)nnc1O 1039464711 UECPQJWRPHWLKE-NEPJUHHUSA-N 319.365 -0.222 30 20 DBED C#CCCCC(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2CCC(=O)N2)C1 1039573983 MKPVWKYLPUATIK-BLLLJJGKSA-N 321.377 -0.852 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)Cc2cncnc2)C1 1039584800 KYXRBAFCDHJVGL-XHDPSFHLSA-N 317.349 -0.742 30 20 DBED C[C@H]1[C@@H](Nc2cnc(C#N)cn2)CCN1C(=O)c1nnn(C)n1 1040216976 CXLQHIMSTDOAHO-WPRPVWTQSA-N 313.325 -0.413 30 20 DBED C#CCCCCCC(=O)NC[C@@]1(O)CCN(C(=O)C(N)=O)C1 1040491280 QTVIQMDFUPFFTH-HNNXBMFYSA-N 309.366 -0.865 30 20 DBED C[C@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)c2cc(C#N)c[nH]2)C1 1040760067 FGPMCVFEJDZCTO-MEBBXXQBSA-N 315.333 -0.261 30 20 DBED C[C@@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)c2c[nH]c(C#N)c2)C1 1040763897 SLKYUPDQYKALRB-ZUZCIYMTSA-N 315.333 -0.261 30 20 DBED Cc1cncn1CC(=O)N1CC[C@@](O)(CNC(=O)[C@@H](C)C#N)C1 1040766359 OMDHPPMJRIZPBJ-XHDPSFHLSA-N 319.365 -0.569 30 20 DBED C[C@@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)Cc2cscn2)C1 1040766691 RVDVCRRFOVVAMY-IINYFYTJSA-N 322.390 -0.075 30 20 DBED C[C@@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)COCC(F)F)C1 1040766866 SULWIQKDPLJXEX-TVQRCGJNSA-N 319.308 -0.493 30 20 DBED C#CCCCCCC(=O)N1CC(O)(CNC(=O)CNC(C)=O)C1 1041215775 ONSVDIVTVWQELK-UHFFFAOYSA-N 323.393 -0.604 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)CO[C@H]2CCOC2)C1 1041959827 BDDFUBJQJYQXIM-LBPRGKRZSA-N 312.366 -0.552 30 20 DBED C=CCCCC(=O)N1CC(O)(CNC(=O)CNC(=O)CC)C1 1042108087 IAQPGKULZADRFB-UHFFFAOYSA-N 311.382 -0.442 30 20 DBED CCCOCC(=O)N1CC(O)(CNC(=O)c2cc(C#N)c[nH]2)C1 1042400887 HWVZZWBGWAQLJK-UHFFFAOYSA-N 320.349 -0.384 30 20 DBED C=CCN1CC[C@H](N2CC(N(C)C(=O)c3cc[nH]n3)C2)C1=O 1042495394 BRVORVXMTYYNIO-ZDUSSCGKSA-N 303.366 -0.047 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)c2ccc(C)nn2)C1 1042802214 GKYNXQBKCOPDAW-UHFFFAOYSA-N 316.361 -0.108 30 20 DBED C=C[C@H](C)[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2ncn(C)n2)C1 1042897328 GTTKGGLCHWZMAW-WDEREUQCSA-N 321.381 -0.424 30 20 DBED C=C(C)C[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2ncn(C)n2)C1 1042897372 HOHQJXVEKOENQZ-LLVKDONJSA-N 321.381 -0.280 30 20 DBED Cc1nonc1CC(=O)N1CC(O)(CNC(=O)C#CC(C)C)C1 1042938518 YTXCGLAQQYXOPG-UHFFFAOYSA-N 320.349 -0.731 30 20 DBED CC[C@H](NC(C)=O)C(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042963741 ULLRECFXUREJJU-ZDUSSCGKSA-N 321.377 -0.996 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CC23CC3)C1 1043035749 COLXCGBDVPSYDL-LBPRGKRZSA-N 306.362 -0.484 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)CN2CCCC2)C1 1043124494 RCFYHWKZNVUOOC-UHFFFAOYSA-N 307.394 -0.425 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)C2(C(=O)NC)CC2)C1 1043847079 ZHYQHOKNBIFFHR-UHFFFAOYSA-N 321.377 -0.994 30 20 DBED C[C@H](C(=O)N1CC(O)(CNC(=O)[C@H](C)C#N)C1)c1cnn(C)c1 1045551657 KOGAZWCNAQYXKA-MNOVXSKESA-N 319.365 -0.627 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)CC2CCN(C)CC2)C1 1045552692 WQZRQQQPAIQKTM-LBPRGKRZSA-N 322.409 -0.433 30 20 DBED C#CCN1CCC2(CC1)CO[C@@H](CNC(=O)[C@H]1CCC(=O)N1)C2 1045665383 WZEGAMUXFNNAJB-ZIAGYGMSSA-N 319.405 -0.115 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(O)(CNC(=O)c2oncc2C)C1 1045675492 IFOJESWJXVEZAL-CQSZACIVSA-N 323.349 -0.387 30 20 DBED C=C[C@](C)(CC)C(=O)NCC1(O)CN(C(=O)c2cnon2)C1 1045777424 IOPVRWJSGHEOBW-CYBMUJFWSA-N 308.338 -0.025 30 20 DBED CC#CCN1C[C@H]2CN(C(=O)[C@@H]3CCCN3C(N)=O)C[C@H]2C1 1049250660 WHFGOVPKRFBLLU-MJBXVCDLSA-N 304.394 -0.057 30 20 DBED C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)C[C@@H]1NC(=O)NC1=O 1049527321 OWMDPDIDGVCORC-SRVKXCTJSA-N 306.366 -0.164 30 20 DBED CN(C)C(=O)CN1CCOC[C@@H]1CNC(=O)c1cc(C#N)c[nH]1 1050865348 KZVFNEMFPQNQCR-LBPRGKRZSA-N 319.365 -0.595 30 20 DBED C=CCN1CCOC[C@H]1CNC(=O)[C@@H]1CCCS1(=O)=O 1051254901 ODMYKTJYJPLGMU-NEPJUHHUSA-N 302.396 -0.433 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)[C@H]3C[C@@H](C)CC(=O)N3)CO2)C1 1053805524 TUAWHCJGVQVIOW-MGPQQGTHSA-N 319.405 -0.116 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)C3)CO2)C1 1053928387 YOPXREUZXASPII-FRRDWIJNSA-N 305.378 -0.519 30 20 DBED C=C[C@@](C)(O)CC(=O)N1C[C@H]2CN(C(=O)CC(N)=O)C[C@H]2C1 1055263672 LVYFXCSKIFKEMF-JRPNMDOOSA-N 309.366 -0.894 30 20 DBED N#Cc1cncc(N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)Cn2nccn2)n1 1055396206 JALMUOYSVVOWMR-UPJWGTAASA-N 324.348 -0.134 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)CC(N)=O 1056403722 ZSAWXOLKNOXFDU-UPJWGTAASA-N 321.377 -0.508 30 20 DBED N#Cc1cnccc1N1C[C@@H]2C(NC(=O)[C@H]3C[C@H]3C(N)=O)[C@H]2C1 1056406965 IMEFXKNJCYPGEC-RHYQMDGZSA-N 311.345 -0.375 30 20 DBED O=C(C#CC1CC1)N(CCO)CCNC(=O)[C@@]12COC[C@@H]1C2 1057537958 QUILHZISTKVWRL-BBRMVZONSA-N 306.362 -0.627 30 20 DBED C#CCO[C@H](C)C(=O)N(CCO)CCNC(=O)c1ncccn1 1057584106 FEWKVGZYRMNEFD-GFCCVEGCSA-N 320.349 -0.934 30 20 DBED N#Cc1cncc(N[C@@H]2CCCN(C(=O)Cn3cnnn3)C2)n1 1057585739 IKPDOKNEXUNAKS-SNVBAGLBSA-N 313.325 -0.562 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(CCO)CCNC(=O)C=C(C)C 1057961483 ZSIXWAZTQBYZQM-HNNXBMFYSA-N 321.421 -0.013 30 20 DBED C=CC(C)(C)C(=O)NCCN(CCO)C(=O)CCCC(N)=O 1057991797 MKMQDFUYDSPZFA-UHFFFAOYSA-N 313.398 -0.209 30 20 DBED N#Cc1nccc(N2CCC[C@H](NC(=O)[C@@H]3CCC(=O)N3)C2)n1 1058180221 DAODCNQGCAASBS-QWRGUYRKSA-N 314.349 -0.288 30 20 DBED N#Cc1cnccc1N1CCC[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1 1058231536 KASVORDFESLTCL-VXGBXAGGSA-N 314.349 -0.280 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CCN(c3ccc4nnnn4n3)C2)c1 1058323033 OCENMXCJHONCQU-SNVBAGLBSA-N 323.320 -0.272 30 20 DBED C=CCCOCC(=O)NCCN(CCO)C(=O)c1ncccn1 1058522636 SCOXCTPWLIYSLS-UHFFFAOYSA-N 322.365 -0.380 30 20 DBED Cc1ncc(C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N)n1C 1058663412 RQTAFMDDOMBDBS-JTQLQIEISA-N 307.354 -0.561 30 20 DBED CN1C[C@@H](C(=O)N[C@H]2C[C@H](Nc3ccc(C#N)nn3)C2)CC1=O 1059445680 BEBVUZJVEFLTEL-DLOVCJGASA-N 314.349 -0.114 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](CCNC(=O)[C@H](C)C#N)C1 1059501820 DIPCEEQRGGXKFD-OLZOCXBDSA-N 318.377 -0.360 30 20 DBED CN1CC[C@H](C(=O)N[C@H]2C[C@@H](N=c3cc[nH]c(C#N)n3)C2)C1 1059649375 ZBFPXRDUQZDRFV-SDDRHHMPSA-N 300.366 -0.219 30 20 DBED C=CCCC(=O)N1CCOC[C@@H]1CNC(=O)C[C@H]1CCNC1=O 1061640429 ZLJBTBVMZXGXKL-OLZOCXBDSA-N 323.393 -0.178 30 20 DBED CC(C)C#CC(=O)N1CCOC[C@H]1CNC(=O)C(C)(C)C(N)=O 1061657209 FDIXLEZCIRSIQB-GFCCVEGCSA-N 323.393 -0.499 30 20 DBED Cc1nc(CC(=O)N2CCOC[C@@H]2CNC(=O)[C@@H](C)C#N)n[nH]1 1061847084 ILRMGYMKJUKYID-ONGXEEELSA-N 320.353 -0.841 30 20 DBED Cc1c[nH]nc1C(=O)N1CCOC[C@@H]1CNC(=O)[C@H](C)C#N 1061848872 WDWKVKRDZTYOOR-KOLCDFICSA-N 305.338 -0.165 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H]1CCCCN1C(=O)COC 1061966743 QUUMLUCQFCNJIU-GFCCVEGCSA-N 309.366 -0.730 30 20 DBED Cn1cc(C(=O)N2C[C@@H]3C[C@H]2CN3c2cncc(C#N)n2)nn1 1062486133 KYOGXAWWTFBGLB-QWRGUYRKSA-N 310.321 -0.420 30 20 DBED N#Cc1ccc(N2C[C@@H]3C[C@H]2CN3C(=O)c2c[nH]c(=O)cn2)nn1 1062568315 AANWHGWTPYGJEQ-QWRGUYRKSA-N 323.316 -0.465 30 20 DBED CN(C(=O)c1cnnn1C)[C@@H]1CCN(c2cncc(C#N)n2)C1 1062928375 HYWMCPPMAXTAAI-LLVKDONJSA-N 312.337 -0.172 30 20 DBED COCC(=O)N[C@@H](C)C(=O)NCC1(NC(=O)[C@H](C)C#N)CCC1 1063323923 CHENJZLWPYUCKR-MNOVXSKESA-N 324.381 -0.548 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)Cn2cnnc2O)CCC1 1064302910 WHQKACGRPXCVEY-SECBINFHSA-N 306.326 -0.702 30 20 DBED C=CCOCC(=O)N1CCO[C@@H](CNC(=O)[C@H](C)OC)C1 1064977360 UZBQFOUJDSDFFR-RYUDHWBXSA-N 300.355 -0.433 30 20 DBED CO[C@@H](C)C(=O)NC[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)CCO1 1065052263 DAJIAJONCDKHMN-JQWIXIFHSA-N 320.349 -0.122 30 20 DBED CCC(=O)NCC(=O)NC[C@H]1CN(C(=O)[C@H](C)C#N)CCO1 1065556638 JAHJIDGBKUCUAG-MNOVXSKESA-N 310.354 -0.984 30 20 DBED N#Cc1ccc(N2CC[C@@H]3[C@H]2CCCN3C(=O)CC(N)=O)nn1 1066127659 NKRNBSZGKOBIRS-VXGBXAGGSA-N 314.349 -0.207 30 20 DBED CC(=O)N1CC(C(=O)N(C)CCCN(C)C(=O)[C@@H](C)C#N)C1 1067278045 RBRMWWDWEHXZSG-NSHDSACASA-N 308.382 -0.069 30 20 DBED CC1(C)CN(c2cncc(C#N)n2)CC[C@@H]1NC(=O)C(N)=O 1067336496 NUSVUOLFBMTXIY-JTQLQIEISA-N 302.338 -0.445 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](CNC(=O)c3cncnc3)C2)nc1 1067665892 VCKPJYIRVJHNEK-ZIAGYGMSSA-N 324.344 -0.030 30 20 DBED C=CCCC(=O)N[C@@H]1COC2(C1)CN(C(=O)c1ncn(C)n1)C2 1068754144 XSWWNKNNWPJFLE-NSHDSACASA-N 319.365 -0.119 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1COC2(C1)CN(C(=O)c1cccnn1)C2 1069004308 VJNQQJBYGCJPTG-MNOVXSKESA-N 315.333 -0.264 30 20 DBED Cn1cncc1C(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1 1069970492 ISEWZMONYSUAAI-PWSUYJOCSA-N 300.326 -0.810 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@]2(C)CNC(=O)C2)C1 1069986962 LTUAYUHKGWIJAA-TYNCELHUSA-N 318.381 -0.668 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)c2cncn2C)CCOCC1 1070161235 AYJCGTNDQIJCSH-LLVKDONJSA-N 319.365 -0.025 30 20 DBED N#CCN[C@@H]1CN(C(=O)CN2CCCC2)C[C@@H]1n1ccnn1 1070328270 UHAXAYTZYVNZEB-OLZOCXBDSA-N 303.370 -0.761 30 20 DBED Cn1cc(C(=O)N2CCC[C@@H](NC(=O)C#CC3CC3)C2)nn1 1070686083 GAQKVBBAMWVYBT-GFCCVEGCSA-N 301.350 -0.051 30 20 DBED C#CCCN1C[C@H]2C[C@@H]3CN(C(=O)Cc4nc[nH]n4)C[C@@]3(C1)O2 1070877415 KKLFRHVEOQAMJF-XJKCOSOUSA-N 315.377 -0.328 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)C2=COCCC2)CC1 1070946162 VSKANYMPEKXBEO-UHFFFAOYSA-N 305.378 -0.036 30 20 DBED C[C@H]1CN(C(=O)CSCC#N)C[C@H]1NC(=O)c1nc[nH]n1 1071661764 OBHMJNZVOLZTED-DTWKUNHWSA-N 308.367 -0.362 30 20 DBED C=CCOCC(=O)N1C[C@@H](NC(=O)c2nccnc2N)[C@H](C)C1 1071808399 HFKIDPDDJFXZCX-GHMZBOCLSA-N 319.365 -0.162 30 20 DBED C#CCN1C[C@H](NC(=O)c2cn(C)c(=O)nc2O)CC[C@@H]1C 1072071190 WLPVOWUNBZSBKW-WDEREUQCSA-N 304.350 -0.298 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](NC(=O)CCNC(N)=O)C(C)(C)C1 1073392642 VPQHGCPIQQTWMF-GHMZBOCLSA-N 323.397 -0.052 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H]1CCN(C(=O)CC(N)=O)CC1(C)C 1073393606 MLGSOVCUKWTXRT-NEPJUHHUSA-N 323.393 -0.357 30 20 DBED CC1(C)CN(C(=O)CSCC#N)CC[C@@H]1NC(=O)C(N)=O 1073479529 PBOOTBPVYAPPNA-VIFPVBQESA-N 312.395 -0.528 30 20 DBED C=CCN1CCO[C@@H]2CCN(C(=O)CN3CCOCC3=O)C[C@H]21 1074265831 BAMLKKOJUHLJCH-ZIAGYGMSSA-N 323.393 -0.667 30 20 DBED C#CCN[C@H]1CCN(C(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)[C@H]1C 1074648807 JDRZHQLUONCVTA-OBJOEFQTSA-N 315.377 -0.025 30 20 DBED C=CCN1C[C@@H]2CCN(C(=O)CN3C(=O)CN(C)C3=O)[C@@H]2C1 1076545196 OGZHUOPXMORYIS-NWDGAFQWSA-N 306.366 -0.401 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)c2cnc(N(C)C)cn2)C1 1076994694 PZHINKSUUHFINX-CHWSQXEVSA-N 305.382 -0.106 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)[C@@]2(C)CCCS2(=O)=O)C1 1077818301 MUIOUYZNZOSOCJ-NQBHXWOUSA-N 302.396 -0.699 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(N(CC)C(=O)c2cnn(C)n2)C1 1080093972 FRROMRXVUUVDKK-OAHLLOKOSA-N 321.381 -0.185 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)CCOCC)C[C@H]1O 1081346316 GTXHNFJWXKWYBR-QWHCGFSZSA-N 314.382 -0.449 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)Cc2ccon2)C1 1081366621 ZMPHXLNKOCJOGJ-GXTWGEPZSA-N 319.361 -0.188 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(C(=O)c2ccon2)C[C@H]1O 1081488025 CENQGLGNTNNSKX-DGCLKSJQSA-N 321.333 -0.736 30 20 DBED CC#CCCCC(=O)N1C[C@H](CNC(=O)c2cnn[nH]2)[C@@H](O)C1 1081589140 AXDWICAOWSIQLP-AAEUAGOBSA-N 319.365 -0.453 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2cccc(-n3ccnn3)c2)C1 1084122391 RKMBQHREKWNXHX-CABCVRRESA-N 311.345 -0.325 30 20 DBED O=C1CC[C@H](N2CC[C@@H]3CN(C(=O)C#CC4CC4)[C@@H]3C2)C(=O)N1 1084333979 JNWUCBDZJSEIEN-HZSPNIEDSA-N 315.373 -0.262 30 20 DBED C=C(C)CN1CC[C@@H]2CN(C(=O)CN3C(=O)CNC3=O)[C@@H]2C1 1084818008 FOHZXHCKDSNVDM-VXGBXAGGSA-N 306.366 -0.353 30 20 DBED C#CCN1CC[C@H]1CN(C)C(=O)C1CC2(C1)CS(=O)(=O)C2 1085670281 SVGQYIXXPVOBCL-ZDUSSCGKSA-N 310.419 -0.023 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H]2C[C@H](N[C@@H]3CCNC3=O)C2)c1 1086336741 MXMHOKQVACQVQO-YUSALJHKSA-N 301.350 -0.127 30 20 DBED C=CCN1CC[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@@H]2C1 1088104402 HUVWWOXMBWULCB-ZOBORPQBSA-N 307.394 -0.014 30 20 DBED N#CCN[C@H]1CCCCCN(C(=O)CN2CCOCC2=O)C1 1088327090 FTCVANMKZFWREK-ZDUSSCGKSA-N 308.382 -0.270 30 20 DBED N#Cc1cnccc1N1CCCO[C@@H](CNC(=O)C(N)=O)C1 1089556804 MAXJNISQNZMSPH-NSHDSACASA-N 303.322 -0.850 30 20 DBED Cn1nc2c(c1C(=O)N[C@H]1CCN(CC#N)C[C@@H]1O)CCCC2 1090296606 BNLNBQHWBOIKPS-KBPBESRZSA-N 317.393 -0.013 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2cnn3ncccc23)[C@@H](O)C1 1090331983 PKFHWANCUDOCLJ-YPMHNXCESA-N 300.322 -0.582 30 20 DBED N#CCN1CC[C@H](NC(=O)c2ccc3oc(O)nc3n2)[C@H](O)C1 1090722077 JWAUXXBIUHWCGI-WCBMZHEXSA-N 317.305 -0.383 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2ccc(N(C)C)nn2)[C@H](O)C1 1090733940 IJGGBZIUAQOJHT-TZMCWYRMSA-N 317.393 -0.269 30 20 DBED C#CCCN1CC[C@H](NC(=O)CN2CCCCCC2=O)[C@H](O)C1 1090791331 SDVBKNGBZPNELG-LSDHHAIUSA-N 321.421 -0.036 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@@H]1O 1091150097 KZMPAXPTTHTNEO-HIFRSBDPSA-N 314.345 -0.341 30 20 DBED N#Cc1cnc(N[C@H]2C[C@@H](CNC(=O)Cn3cnnn3)C2)cn1 1091310551 DXBPSLOBVCEICH-AOOOYVTPSA-N 313.325 -0.658 30 20 DBED C[C@@H]1[C@@H](NC(=O)CCNC(N)=O)CCN1c1nccnc1C#N 1091968694 CJYJUGICHRXOEJ-ZJUUUORDSA-N 317.353 -0.510 30 20 DBED COC(=O)NCC(=O)N[C@H]1[C@@H]2CN(c3ncccc3C#N)C[C@@H]21 1093240260 SYXFCKGWWKQUTL-PJXYFTJBSA-N 315.333 -0.140 30 20 DBED C=CCCN1CC(n2cc(CNC(=O)c3cnn[nH]3)nn2)C1 1094303902 HNKQGKKFVIWSNN-UHFFFAOYSA-N 302.342 -0.241 30 20 DBED N#Cc1nccnc1NCCCNC(=O)[C@@H]1CCNC(=O)C1 1094382044 MVKMFVGERFEPJL-SNVBAGLBSA-N 302.338 -0.207 30 20 DBED CN1CCOC[C@H]1C(=O)NCCCNc1cnc(C#N)cn1 1094395176 FEUMYVLHEKISRT-LBPRGKRZSA-N 304.354 -0.403 30 20 DBED N#Cc1cnc(NCCCNC(=O)C[C@@H]2CCNC2=O)cn1 1094617674 PGRVAOFIBSTBTM-JTQLQIEISA-N 302.338 -0.207 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)c3n[nH]cc3C)CC2=O)C1 1094735407 MZDJIBWRNBMIFY-LLVKDONJSA-N 303.366 -0.081 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)c3csnn3)CC2=O)C1 1094766779 NGLJRQZZWOTJFL-VIFPVBQESA-N 307.379 -0.261 30 20 DBED C[C@@H](CC(N)=O)C(=O)N1CC[C@@H](Nc2ccc(C#N)nn2)C1 1095077656 TUXOZMLMZFUEDR-GXSJLCMTSA-N 302.338 -0.127 30 20 DBED C[C@@H](CNC(=O)Cn1c(O)nnc1O)Nc1ncccc1C#N 1097976619 MVXMXRVDXOWONR-QMMMGPOBSA-N 317.309 -0.427 30 20 DBED C[C@H](CNC(=O)[C@]1(C)CCC(=O)NC1)N=c1cc[nH]c(C#N)n1 1098228653 JGQRODHUBCLHJD-MEBBXXQBSA-N 316.365 -0.397 30 20 DBED CC(C)C#CC(=O)N[C@H]1CCN(CCn2cncn2)C[C@@H]1O 1099820350 DBSHJPGTQHITDU-KBPBESRZSA-N 305.382 -0.511 30 20 DBED CN(CCNC(=O)[C@@]1(C)CCC(=O)NC1)c1ccc(C#N)nn1 1100286252 OVUUBYALNDUYAQ-HNNXBMFYSA-N 316.365 -0.183 30 20 DBED C#CCCNC1CC(CNC(=O)CCNS(C)(=O)=O)C1 1100379291 IHWUSNCUKBXZKS-UHFFFAOYSA-N 301.412 -0.567 30 20 DBED CCN(CCNC(=O)CNC(N)=O)c1nc(C)ccc1C#N 1100459032 VTRGGZPQZDGCIL-UHFFFAOYSA-N 304.354 -0.128 30 20 DBED CCN(CCNC(=O)C[C@@H]1CCNC1=O)c1ccc(C#N)nn1 1100635173 DTRMPWABGPYJJH-NSHDSACASA-N 316.365 -0.183 30 20 DBED CC(=O)NCC(=O)NC[C@@H]1CCCN1c1ccnc(C#N)n1 1100770424 RNKSDODKBPIODU-NSHDSACASA-N 302.338 -0.431 30 20 DBED C#CCNC(=O)[C@H](C)NC1CC(CNC(=O)CN(C)CCC)C1 1100904935 OHZLAJJJPAIYCU-NFOMZHRRSA-N 322.453 -0.050 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CN(C(=O)[C@H](C)OC)C[C@]2(C)C1 1101146774 UVTKGQLGNVEQLC-ZENOOKHLSA-N 307.394 -0.449 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CC2(CN(CC#N)C2)n2ccnc21 1101604098 NGQMZNWYFXIOKS-LLVKDONJSA-N 302.338 -0.885 30 20 DBED CC[C@@H](CNC(=O)[C@H]1CNC(=O)N1)Nc1cncc(C#N)n1 1103277915 QVKHBHCEXGPKQY-WCBMZHEXSA-N 303.326 -0.664 30 20 DBED C[C@@H]1CN(C(=O)CC[C@@H]2NC(=O)NC2=O)C[C@H]1CCNCC#N 1104990011 CQGGNZCDHOMZLC-UTUOFQBUSA-N 321.381 -0.428 30 20 DBED CC(C)[C@@H](CNC(=O)Cn1ncnn1)N=c1cc[nH]cc1C#N 1105235238 XBPGNSGRDNLIRF-CYBMUJFWSA-N 314.353 -0.385 30 20 DBED C#CCNCc1cn(C2CN(C(=O)[C@H]3CO[C@H](C)C3)C2)nn1 1105271112 WSVARUGFQRDTEF-VXGBXAGGSA-N 303.366 -0.191 30 20 DBED CN1CC[C@H](C(=O)N2CC(n3cc(CNCC#N)nn3)C2)C1 1105372753 WDYKVCKLQPNREU-NSHDSACASA-N 303.370 -0.774 30 20 DBED CN(CCN(C)c1ccnc(C#N)n1)C(=O)CCc1nc[nH]n1 1105377264 RSSNCYPAIUZZQE-UHFFFAOYSA-N 314.353 -0.006 30 20 DBED CCN(CCNc1ccc(C#N)nc1)C(=O)[C@H]1CNC(=O)N1 1106928145 FYNRNGQUEBLQPU-GFCCVEGCSA-N 302.338 -0.105 30 20 DBED CCNC(=O)CC(=O)NC/C=C/CNc1nccnc1C#N 1107131484 QZQSAHHYFLTMGR-ONEGZZNKSA-N 302.338 -0.041 30 20 DBED N#Cc1cnc(NC/C=C\CNC(=O)CCn2cnnn2)cn1 1107299872 HMPDICYALURFIR-UPHRSURJSA-N 313.325 -0.491 30 20 DBED N#Cc1cncc(NC/C=C\CNC(=O)[C@H]2CCC(=O)NC2)n1 1107592392 DESARLJLMHMUQN-BVBSBALXSA-N 314.349 -0.041 30 20 DBED COCC#CCN1CCO[C@](C)(CNC(=O)c2cncnc2)C1 1107888122 JZEVPMAAPQZKMG-MRXNPFEDSA-N 318.377 -0.053 30 20 DBED CCc1nc(C#N)cc(N(C)C[C@@H](C)NC(=O)CC(N)=O)n1 1108884328 OVXLZBPJUZSICD-SECBINFHSA-N 304.354 -0.273 30 20 DBED C[C@H](CN(C)c1nccnc1C#N)NC(=O)[C@@]1(C)CNC(=O)C1 1109155192 JEFWDHSONHHXCM-MEBBXXQBSA-N 316.365 -0.185 30 20 DBED C[C@H](CN(C)c1ccnc(C#N)n1)NC(=O)[C@H]1CCNC1=O 1109206159 SZVRMGRZVXDMGR-ZJUUUORDSA-N 302.338 -0.575 30 20 DBED COC[C@H](OC)C(=O)N[C@@H](C)CN(C)c1nccnc1C#N 1109218995 CXYILCRTYVOQPJ-JQWIXIFHSA-N 307.354 -0.049 30 20 DBED CN(C)C(=O)CC(=O)N[C@@H]1[C@H]2C[C@H]1N(c1cncc(C#N)n1)C2 1109743312 ODIDNOUDVZJGEG-ZVWUFJHRSA-N 314.349 -0.480 30 20 DBED N#Cc1ccc(NCCN(CCO)C(=O)c2nc[nH]n2)nc1 1111496556 NRAKVALEWWUDNW-UHFFFAOYSA-N 301.310 -0.382 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H]1COCCN1c1ncc(F)cn1 1111700019 HNMDKQJMVWHTFG-AAEUAGOBSA-N 322.340 -0.025 30 20 DBED N#Cc1c[nH]ccc1=NC1(CNC(=O)[C@@H]2CNC(=O)N2)CCC1 1111890741 NDTOADOGBVQUHF-LBPRGKRZSA-N 314.349 -0.493 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)C[C@@H]2COC(=O)C2)CC1 1112767621 YWJRLHUTZXEVBQ-OLZOCXBDSA-N 321.377 -0.778 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)c3ccncc3)[C@@H]2C1 1113778131 XKPTWKYGPLOJIV-IACUBPJLSA-N 312.373 -0.121 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)c3cnc(C)[nH]3)[C@H]2C1 1114041936 UFHRHISHAVYRBH-WUWHUORYSA-N 315.377 -0.484 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)CO[C@H](C)CC)[C@H]2C1 1114153092 IWSJFPGTYPTJHS-FOCJUVANSA-N 307.394 -0.403 30 20 DBED C#CCO[C@H](C)C(=O)NC1[C@H]2CN(CCN3CCCC3=O)C[C@H]12 1114262735 ITJSBTFHDWIFAZ-RDBSUJKOSA-N 319.405 -0.307 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)CCc3cnc[nH]3)[C@H]2C1 1114385347 WQCLHBMMDJDZIQ-VIKVFOODSA-N 315.377 -0.862 30 20 DBED C#CCCN1C[C@H]2[C@H](NC(=O)[C@H](CCC)S(N)(=O)=O)[C@H]2C1 1114622163 YGRRCYBCJGSZQM-QNWHQSFQSA-N 313.423 -0.487 30 20 DBED Cc1c[nH]c(C(=O)NC2[C@H]3CN(CC(=O)NCC#N)C[C@H]23)n1 1114949832 RCLMUOYLMXJEAN-UWVGGRQHSA-N 302.338 -0.982 30 20 DBED CO[C@@H](C)C(=O)NCCOCCN(C)c1ccnc(C#N)n1 1115183504 OOEOBAHHBASBEV-NSHDSACASA-N 307.354 -0.048 30 20 DBED C=C(C)CN(C)C(=O)C(=O)N1CCC[C@@H]1CS(=O)(=O)NC 1118766326 IYKJLOSWYXSVOB-LLVKDONJSA-N 317.411 -0.439 30 20 DBED N#Cc1cncc(N[C@H](CO)CNC(=O)C[C@H]2CCCO2)n1 1121099681 KXKTXZRWHMYHNX-NWDGAFQWSA-N 305.338 -0.194 30 20 DBED N#Cc1cncc(N[C@H](CO)CNC(=O)c2ccc(O)nn2)n1 1121177903 PUDVUEKMIJPGIO-VIFPVBQESA-N 315.293 -0.953 30 20 DBED CC(C)[C@@H](O)C(=O)NC[C@H](CO)Nc1ncc(C#N)cc1F 1121392777 HXRDQHZBIHKDMZ-ZYHUDNBSSA-N 310.329 -0.002 30 20 DBED C#CCNCC(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1 1121951895 XCWAMSLADTUDQM-GFCCVEGCSA-N 300.362 -0.297 30 20 DBED CCC(=O)N[C@@H](C)C(=O)NC[C@H](CO)Nc1ccc(C#N)nc1 1122751994 DECUNBXTQDVWAS-GXFFZTMASA-N 319.365 -0.243 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)c1ccncc1 1124024263 QISDLQGVNPKZOO-LBPRGKRZSA-N 312.333 -0.290 30 20 DBED N#Cc1cc(C(=O)NCCNCCCN2C(=O)CNC2=O)c[nH]1 1125994577 FNDTXQAZUCEHBO-UHFFFAOYSA-N 318.337 -0.852 30 20 DBED C=C[C@](C)(O)CC(=O)NCCNC[C@@H](C)CS(C)(=O)=O 1126382762 BKENOSFODGJYII-YPMHNXCESA-N 306.428 -0.300 30 20 DBED C#CCNC(=O)CNCCNC(=O)C1(c2ccccn2)CC1 1127240454 PLIYEBSKYKNYRZ-UHFFFAOYSA-N 300.362 -0.432 30 20 DBED N#CCNC(=O)CNCCNC(=O)[C@H]1C[C@H]2CCCCN2C1 1127256643 QGQOSMTUIISXFX-QWHCGFSZSA-N 307.398 -0.794 30 20 DBED N#CCNCc1nnc2n1CC[C@H](NC(=O)c1cn[nH]c1)CC2 1127937983 DLSPLKAEURSRFF-LLVKDONJSA-N 314.353 -0.251 30 20 DBED N#CCN1CCn2ncc(CNC(=O)CC3OCCCO3)c2C1 1128316692 XRLFBMXWBUDXDN-UHFFFAOYSA-N 319.365 -0.008 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)C1CCC(C(N)=O)CC1 1130684592 UQZLUHHGJJCPPE-HIFPTAJRSA-N 324.425 -0.325 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CCCN1CC(C)C 1130708665 CVQHXAYEENJYPY-GJZGRUSLSA-N 322.453 -0.050 30 20 DBED CC1(C)CC[C@@H](CC(=O)NCCNCC(=O)NCC#N)OC1 1131506159 OVUKESJSGJPKAO-LBPRGKRZSA-N 310.398 -0.073 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@@H]1OCCc2ccccc21 1132194621 XEBSUASQONQXNU-MRXNPFEDSA-N 315.373 -0.244 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)Cc2cnc[nH]2)CC[C@H]1C 1132322650 URWHCNBZOINURC-OLZOCXBDSA-N 317.393 -0.329 30 20 DBED C#CCNC[C@@H]1CN(C(=O)CN(C)S(C)(=O)=O)CC[C@@H]1C 1132865566 OZWFUPAHEDQWMB-QWHCGFSZSA-N 315.439 -0.415 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)[C@@H]1CC[C@H](F)C1 1132953883 IMFGHCUTKRDDTJ-MNOVXSKESA-N 314.361 -0.158 30 20 DBED CCN(CCC#N)C(=O)CN1CCC2(C1)CN(C(=O)COC)C2 1146857218 ZJJHGQXRWWESHH-UHFFFAOYSA-N 322.409 -0.071 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)c1cc(CC)n(C)n1 1153741597 HKAPTVMZDVTLRM-LLVKDONJSA-N 307.398 -0.007 30 20 DBED CCN(CC#CCOC)[C@H](C)CNC(=O)[C@H]1CCC(=O)NC1 1154119967 SRIAXIQPUGWJRB-KGLIPLIRSA-N 309.410 -0.011 30 20 DBED COCC#CCNCC1(CCNC(=O)CC(=O)N(C)C)CC1 1167408319 BDKXDRSRMSTEIS-UHFFFAOYSA-N 309.410 -0.009 30 20 DBED CNC(=O)NC(=O)CNCCCC[C@@H](C)NC(=O)[C@H](C)C#N 1169848057 MWAKGMSJVTZYMM-GHMZBOCLSA-N 311.386 -0.134 30 20 DBED C=CCCOCC(=O)NCCCNCCN1C(=O)CCC1=O 1177264384 FXIQSLGHQDSDNX-UHFFFAOYSA-N 311.382 -0.176 30 20 DBED CCOCC(=O)N1CC[C@@H](NCC(=O)N(CC)CCC#N)C1 1180780019 CIYNPXSBGVYEQW-CYBMUJFWSA-N 310.398 -0.024 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)Cn2cc(C)cn2)C1 1181325346 KMKXFEQTVKIRAN-CYBMUJFWSA-N 303.366 -0.869 30 20 DBED C=CCCCN[C@@H]1CCN(C(=O)CN2CCN(C)C(=O)C2)C1 1183782042 DWORWDSPUZKKEM-CQSZACIVSA-N 308.426 -0.083 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)c2cc(C(N)=O)co2)C1 1185623938 FYYYUXIKNHCINE-LLVKDONJSA-N 320.349 -0.515 30 20 DBED COCC#CCN(C)[C@H]1CCN(C(=O)c2cnn(C)c2N)C1 1189751725 IQSWCQGZBPAUPJ-LBPRGKRZSA-N 305.382 -0.202 30 20 DBED Cc1ncc(CN2C[C@@H](O)[C@H](NC(=O)CSCC#N)C2)o1 1191149400 RHGQBWXRIKWNJN-VXGBXAGGSA-N 310.379 -0.099 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)C[C@@](C)(O)C2CC2)C1 1192306409 INFHUOOKPJLNMU-IIAWOOMASA-N 312.410 -0.099 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2cncs2)C[C@H]1O 1192891538 NOQOMDXALJTECM-CYZMBNFOSA-N 309.391 -0.157 30 20 DBED C=CCNC(=O)[C@H](C)N1CCCN(C(=O)[C@@H](C)NC(C)=O)CC1 1194739133 KHGLIQNTIFUKFL-OLZOCXBDSA-N 324.425 -0.264 30 20 DBED CCn1cc(C(=O)N2CCCN(CC(=O)NCC#N)CC2)cn1 1195339748 WWTFXKSKBCPTRG-UHFFFAOYSA-N 318.381 -0.309 30 20 DBED Cc1coc(C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@H]2O)c1 1195461000 ZGHKFMGMVZQJQQ-GHMZBOCLSA-N 306.322 -0.997 30 20 DBED C=C[C@H](C(=O)N[C@@H]1CN(CC(N)=O)C[C@H]1O)c1ccccc1 1198955475 DTCISERWHRFYFS-BFHYXJOUSA-N 303.362 -0.397 30 20 DBED C#CCNC(=O)CC(=O)N1CCCO[C@H](CNCCCF)C1 1200322712 RZPHPTCMIWUHKQ-CYBMUJFWSA-N 313.373 -0.307 30 20 DBED C#CCNC[C@@H]1CN(C(=O)C(=O)NCC(F)(F)F)CCCO1 1201741069 QUUMSYIOVJOUPI-SNVBAGLBSA-N 321.299 -0.495 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)[C@@H]2CC[C@H]2C(N)=O)CC1 1201960199 VYDWGLACSMZHKH-CHWSQXEVSA-N 322.409 -0.619 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)CCc2cnn[nH]2)CC1 1202552785 RUHGYKOAKWKBPS-UHFFFAOYSA-N 318.381 -0.933 30 20 DBED C#CCNC(=O)[C@H](C)NC1CCN(C(=O)c2cnn(C)n2)CC1 1202939630 HAUVVNGGILMIBZ-NSHDSACASA-N 318.381 -0.853 30 20 DBED C#CCCN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)Cn1cnnc1O)C2 1204211406 LSWZCYQUYODEKP-JHJVBQTASA-N 303.366 -0.024 30 20 DBED C#Cc1ccc(C(=O)N2CCC(CNCC(N)=O)CC2)cn1 1206881480 DQIPHDZLQQPURJ-UHFFFAOYSA-N 300.362 -0.010 30 20 DBED CO[C@@H]1CN(Cc2nc(N(C)C)no2)C[C@H]1NC(=O)[C@@H](C)C#N 1212039081 FFVYIDBSZSOMTM-HBNTYKKESA-N 322.369 -0.389 30 20 DBED C[C@@H]1CN(C(=O)CC[C@H]2CCOC2)C[C@H]1NCC(=O)NCC#N 1214413751 KSMCSFPDHCNUOI-HZSPNIEDSA-N 322.409 -0.121 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CC(=O)NCC#C 1217684639 SFIJGLPMCKWLRL-UONOGXRCSA-N 303.362 -0.939 30 20 DBED Cc1nccnc1CN1C[C@H](O)[C@H](NC(=O)CSCC#N)C1 1219218418 PYKHPDQIRJPTMO-OLZOCXBDSA-N 321.406 -0.297 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2csnn2)C[C@@H]1O 1221143471 GBLCCKPHRUWISQ-JLLWLGSASA-N 312.395 -0.210 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)C(=O)C(C)(C)C)[C@@H]2C1 1221448698 JCMIGYKATKAEDT-CHWSQXEVSA-N 319.405 -0.116 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)[C@@H](CC)N(C)C)CC1 1223597159 JYGOUYUDHXKLHD-OAHLLOKOSA-N 322.453 -0.096 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)[C@@H]2CCO[C@H]2C)CC1 1229723379 OTZGPVWLQMZTHB-GXTWGEPZSA-N 307.394 -0.259 30 20 DBED C#CCN1CCS(=O)(=O)[C@H](CCNC(=O)c2ccc[nH]2)C1 1230416645 NUSLHZUAUXYHDJ-GFCCVEGCSA-N 309.391 -0.133 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)C1CCOCC1 1230556405 JHARFVRRYMAVBX-AWEZNQCLSA-N 307.394 -0.305 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@@H]1CN(C)C(=O)c1cnn(C)c1 1230714804 KCZVKNZVIFMDHA-TZMCWYRMSA-N 317.393 -0.296 30 20 DBED CC(C)OCCC(=O)N(C)C[C@H]1CCN1CC(=O)NCC#N 1230838595 PMWUGJMHXXIQPJ-CYBMUJFWSA-N 310.398 -0.026 30 20 DBED C=CCN(CC=C)C(=O)CN(C)CCCNC(=O)CNC(C)=O 1231285517 HJDRPNWCFSQEFH-UHFFFAOYSA-N 324.425 -0.239 30 20 DBED C[C@H](C(=O)NC(N)=O)N1CC[C@@H]1CN(C)C(=O)C#CC1CC1 1234195059 HXQPAUCSFSXMLD-ZYHUDNBSSA-N 306.366 -0.484 30 20 DBED COCC#CCN1CC[C@@H]1CN(C)C(=O)[C@H]1CC(=O)N(C)C1 1234643082 MAPNWNUOFGAVOQ-UONOGXRCSA-N 307.394 -0.353 30 20 DBED CCN(CC)C(=O)CNC(=O)C(=O)Nc1ccc(C#N)cn1 1261906096 KSCAYYPENVCJOQ-UHFFFAOYSA-N 303.322 -0.124 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCN([C@H](C)C(=O)NC(=O)NC)C1 1318331892 YVDBPZMPDYUAJV-VXGBXAGGSA-N 324.381 -0.939 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N[C@@H](C)c1ncn(C)n1 1320518017 GNBRSPROCUORID-VIFPVBQESA-N 301.372 -0.224 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N(C)[C@H](C)CN1CCOCC1 1323824636 XALKNYDQSWTBAX-OLZOCXBDSA-N 313.398 -0.517 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CC[C@](F)(C#N)C2)C1=O 1325093933 RRYIMOREQFWGOW-NHYWBVRUSA-N 322.340 -0.304 30 20 DBED C[C@@]1(CCCC(=O)N[C@@H]2CCCN(O)C2=O)NC(=O)NC1=O 1326407583 UACURZBPCMBJRV-OQPBUACISA-N 312.326 -0.749 30 20 DBED N#C[C@H]1CC[C@@H](NC(=O)C(=O)N2CCC[C@H](CC(N)=O)C2)C1 1326718153 FQWKUZMKFIYUOC-QJPTWQEYSA-N 306.366 -0.091 30 20 DBED Cc1cc(NC(=O)C(=O)NCC(=O)NC2CC2)ncc1C#N 1329898382 PNSDXOVMCQMGAN-UHFFFAOYSA-N 301.306 -0.405 30 20 DBED C=C[C@H](COC)NC(=O)c1cc(S(N)(=O)=O)ccc1O 1331156416 RWHXKCNHRFCMTL-MRVPVSSYSA-N 300.336 -0.030 30 20 DBED C#C[C@@H](C)N(C)c1nnc(-c2cn(C)c(=O)n(C)c2=O)n1C 1338610341 OPTIHAQPZCGSSF-SECBINFHSA-N 302.338 -0.663 30 20 DBED C=CCNC(=O)[C@@H](C#N)C(=O)c1cn(CC2(C)COC2)nn1 1341915186 PLBLINDVKLEJBV-JTQLQIEISA-N 303.322 -0.061 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)N2CCSCC2)CCN1C1CC1 1348537314 YKNULCLXAPYYQQ-LBPRGKRZSA-N 308.407 -0.239 30 20 DBED C=CCn1cc(CNC(=O)N[C@H](C)[C@@H]2CN(C)CCN2C)nn1 1348833329 ZFBLUMFEZFODMQ-OCCSQVGLSA-N 321.429 -0.102 30 20 DBED C[C@H](NC(=O)C(=O)N[C@@H]1CC[C@H](C#N)C1)[C@H]1CN(C)CCO1 1349029027 AOSLPHDFXUTDDF-WUHRBBMRSA-N 308.382 -0.370 30 20 DBED C#CC1CCN(C(=O)C(=O)NCCS(=O)(=O)C2CC2)CC1 1349260327 UDIRZNDXAPYQSC-UHFFFAOYSA-N 312.391 -0.448 30 20 DBED C=CCS(=O)(=O)CCN1C(=O)N[C@H]([C@H]2CCCOC2)C1=O 1350943772 IIUZEOUHDXZWAA-WDEREUQCSA-N 316.379 -0.066 30 20 DBED C=C(C)CN(C)C(=O)C(=O)NCC(C)(C)NS(C)(=O)=O 1351121543 QSYZZJXBIUARDP-UHFFFAOYSA-N 305.400 -0.535 30 20 DBED CC1(C)OC[C@@H](CNC(=O)CCn2cc(C#N)c(O)nc2=O)O1 1362217586 QCGLELQFURZOQN-SNVBAGLBSA-N 322.321 -0.522 30 20 DBED CN(Cc1ccn(C)n1)C(=O)Cn1cc(C#N)c(O)nc1=O 1363077713 VHLMQMJPRRQJFY-UHFFFAOYSA-N 302.294 -0.787 30 20 DBED Cn1c(=O)[nH]c(NCCS(=O)(=O)C(C)(C)C)c(C#N)c1=O 1364144136 FNBYQORUOFXGKR-UHFFFAOYSA-N 314.367 -0.430 30 20 DBED C=C(Cl)CNC[C@H](O)CNC(=O)[C@@H]1CCCC(=O)N1C 1367617263 KTFONPYYTQVMLN-QWRGUYRKSA-N 303.790 -0.184 30 20 DBED C[C@@H](CNC(=O)Cn1cncn1)NC(=O)c1ccc(C#N)[nH]1 1373095321 DWYVLDQJKQYCEB-VIFPVBQESA-N 301.310 -0.587 30 20 DBED C=C(Cl)CN(CC)CCNC(=O)Cn1cnc(C(N)=O)n1 1377314620 UEJUAUZZCZGDPX-UHFFFAOYSA-N 314.777 -0.432 30 20 DBED C[C@H](C#N)C(=O)N(C)CC(C)(C)CNC(=O)CCNC(N)=O 1382869147 GEHYWOQCJCCPBH-SNVBAGLBSA-N 311.386 -0.195 30 20 DBED CC[C@H](CNC(=O)c1cnn(C)n1)NC(=O)c1cc(C#N)c[nH]1 1390552645 PMUAPUVBWKKLQX-SNVBAGLBSA-N 315.337 -0.047 30 20 DBED C[C@H](NC(N)=O)C(=O)N1CCC(CCNC(=O)[C@H](C)C#N)CC1 1399212173 ZIFQSAUEKMQISJ-MNOVXSKESA-N 323.397 -0.052 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNCc1nc(C2CC2)nn1C 1401504639 QTKVMYZDIOZPOV-KOLCDFICSA-N 306.370 -0.581 30 20 DBED C=C(Br)CNC[C@@H](O)CNC(=O)CNC(=O)OC 1406202405 FAHHIBNDMBRWDH-MRVPVSSYSA-N 324.175 -0.682 30 20 DBED COCC1(C(=O)N2CCN(CCNC(=O)[C@H](C)C#N)CC2)CC1 1407445056 DYRCXOKQCSVIQF-CYBMUJFWSA-N 322.409 -0.167 30 20 DBED C[C@@H](C#N)C(=O)N(C)C[C@H]1CCN(C(=O)CN2CCOCC2)C1 1408990514 ZTDUHQOJHUWKDU-UONOGXRCSA-N 322.409 -0.215 30 20 DBED C[C@@H](CN(C)C(=O)c1cc(C#N)c[nH]1)NCc1nnn(C)n1 1410339987 OMWJBPFVBALSOD-VIFPVBQESA-N 302.342 -0.340 30 20 DBED CN(Cc1nnc2n1CCNC2=O)S(=O)(=O)CC1(C#N)CC1 1424655723 PSOMDLKQTOBWFE-UHFFFAOYSA-N 324.366 -0.913 30 20 DBED CNC(=O)c1cccc(C(=O)N[C@H](C)CNC(=O)[C@@H](C)C#N)n1 1428785618 BJPXSHAXSDUDAE-VHSXEESVSA-N 317.349 -0.165 30 20 DBED C=C(Cl)CNC[C@@H](O)CN(C)C(=O)c1cnc(O)n1C 1442001662 KDRUIHSRTSPIHX-SECBINFHSA-N 302.762 -0.099 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CCN(C(=O)CCc2cnn[nH]2)C1 1446688782 RHHAYFPEGAVELY-PWSUYJOCSA-N 304.354 -0.044 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CC[C@H](CNCC(=O)NC(N)=O)CC1 1447081428 GTGFXBRLQFCYGH-DCAQKATOSA-N 309.370 -0.394 30 20 DBED CC(=O)NCC(=O)N1CC[C@@H](CNC(=O)c2ccc(C#N)[nH]2)C1 1448241047 IJKXWMDQJKMYOQ-NSHDSACASA-N 317.349 -0.399 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@H](NCC(=O)Nc2nncs2)C1 1490878784 SQBDNOSAXZYHPH-CIUDSAMLSA-N 308.367 -0.127 30 20 DBED CN1C[C@H](C(=O)NCCN(C)C(=O)c2c[nH]c(C#N)c2)CC1=O 1496135582 WZSIIRVFSHAMEN-LLVKDONJSA-N 317.349 -0.447 30 20 DBED CCN(CCNC(=O)c1cc(C#N)c[nH]1)C(=O)[C@@H](C)NC(C)=O 1496697997 FPOYNFOWYYWKCF-SNVBAGLBSA-N 319.365 -0.011 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNCc1nc(C(C)(C)C)n[nH]1 1496955661 SBIZXVYOFWXOKK-ZJUUUORDSA-N 308.386 -0.171 30 20 DBED N#Cc1ccc(C(=O)NC[C@H](O)CNC(=O)[C@@H]2CCCOC2)[nH]1 1533204889 JJWSBXKYJZPOSQ-ZYHUDNBSSA-N 320.349 -0.480 30 20 DBED C#CCNC(=O)CN1C[C@H](NC(=O)[C@@H](CC)N(C)C)C(C)(C)C1 1570907391 FXNWTGAPQRMCTR-KGLIPLIRSA-N 322.453 -0.097 30 20 DBED C=CCN1CC[C@@H](NC/C=C\CNC(=O)CNC(=O)O)C1=O 1573368858 SJIJEPAISFUEAL-DLRQAJBASA-N 310.354 -0.697 30 20 DBED CN(C(=O)C1CC2(CNC[C@@H]2C#N)C1)[C@@H]1CCS(=O)(=O)C1 1578370140 CKBBVMJKAYJPRS-MRFPXMQZSA-N 311.407 -0.229 30 20 DBED C#C[C@@H](C)N(C)CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cn1 1588325063 FATQKPNGWHCBAV-SNVBAGLBSA-N 320.378 -0.011 30 20 DBED CCN(C[C@@H](C)C#N)C(=O)CN1CCN(C(=O)C(=O)O)CC1 1589720052 KXDJJWXLUSUXKR-NSHDSACASA-N 310.354 -0.777 30 20 DBED COC(=O)CCN(CC#N)C(=O)c1cccc(-c2nn[nH]n2)n1 1591265277 SVAMSFNTPPCMSK-UHFFFAOYSA-N 315.293 -0.209 30 20 DBED N#Cc1nc(NCCN2CC[C@H](O)C2)cnc1-c1nn[nH]n1 1592708069 RYWICOBAERVNMJ-QMMMGPOBSA-N 301.314 -0.993 30 20 DBED COC(=O)[C@@H]1[C@@H](C(=O)O)[C@H]2CC[C@H]1N2CC(=O)NCCC#N 1598743192 YGIDWHADEGHKNO-LSKIRQOJSA-N 309.322 -0.647 30 20 DBED COC(=O)[C@H]1CN(C(=O)c2cc(C#N)ccn2)C[C@H]1C(=O)O 1598818859 RQASLXKYSNRRRH-ZJUUUORDSA-N 303.274 -0.101 30 20 DBED N#CC1(C(=O)O)CCN(C(=O)C(=O)N2C[C@H]3COC[C@H]3C2)CC1 1601048531 HDRQYEQCWGXEHX-PHIMTYICSA-N 321.333 -0.692 30 20 DBED C#CC1(O)CN(S(=O)(=O)c2ccc(OCC(=O)O)cc2)C1 1602677121 PRDMDMATRXTZTN-UHFFFAOYSA-N 311.315 -0.481 30 20 DBED COCCN(C)C[C@@H](O)Cn1cc(C(=O)O)cc(C#N)c1=O 1606878865 ISVJDHKDMCVWBQ-GFCCVEGCSA-N 309.322 -0.643 30 20 DBED N#CCN1CCN(CCCNC(=O)[C@H]2CCC(=O)NC2)CC1 1752349447 PKILZORDNSIJLE-ZDUSSCGKSA-N 307.398 -0.840 30 20 DBED C=CCN1CC[C@H](N[C@@H](CNC(=O)CC(N)=O)C2CC2)C1=O 1752448567 GVUMUPCIJOLXNW-RYUDHWBXSA-N 308.382 -0.867 30 20 DBED Cn1cc(C(=O)N2CCC[C@H](CNCC#N)C2)c(=O)n(C)c1=O 1752808226 WUNCRAHHAYWNPQ-LLVKDONJSA-N 319.365 -0.951 30 20 DBED C#CCN1CCC[C@H]1CCCNC(=O)CN1CCOCC1=O 1753027764 QUNROSPZHILBPY-CQSZACIVSA-N 307.394 -0.161 30 20 DBED COCC#CCN1[C@H]2CC[C@H]1CN(C(=O)c1cnn(C)n1)C2 1753309619 SJYOGSHQCABZJO-STQMWFEESA-N 303.366 -0.246 30 20 DBED C[C@@H](O)CNC1(CNC(=O)CSCC#N)CCOCC1 1754734569 SMLXUNBTAWAGMQ-LLVKDONJSA-N 301.412 -0.121 30 20 DBED C=CCNC(=O)CN1CC[C@@](O)(CNC(=O)C(C)(F)F)C1 1754747157 HBUPAUXWCIMVGO-CYBMUJFWSA-N 305.325 -0.503 30 20 DBED CC#CCN1CC[C@@](O)(CNC(=O)[C@@H]2CCCN2C(N)=O)C1 1754761815 CXCLPWLVISRSQI-SWLSCSKDSA-N 308.382 -0.894 30 20 DBED C=CCCCN1CC[C@](O)(CNC(=O)c2cn(C)c(=O)n2C)C1 1754762537 SAOOXBFEKAIEFK-INIZCTEOSA-N 322.409 -0.143 30 20 DBED COCC#CCN1CCOC[C@@H]1CNC(=O)c1cn(C)nc1C 1754965501 JIFMOAKUSVBUSZ-AWEZNQCLSA-N 320.393 -0.191 30 20 DBED CN(CC(C)(C)CNCC(=O)NCC#N)C(=O)CN1CCCC1 1755286926 GDZDOSXIKKJIFY-UHFFFAOYSA-N 323.441 -0.204 30 20 DBED C#CCNC(=O)CN(C)[C@@H](C)CNC(=O)CCc1ccnn1C 1755301232 HJEARURJBNBKGI-ZDUSSCGKSA-N 319.409 -0.461 30 20 DBED C#CCNC(=O)CN1CC([C@@H](C)NC(=O)CC2(COC)CC2)C1 1755372918 FTOGEIDLBNYIOB-CYBMUJFWSA-N 321.421 -0.011 30 20 DBED COCC#CCNC[C@H]1C[C@H](NC(=O)c2cc(=O)n(C)cn2)C1 1755472956 KBMCEFCAXPMCHI-JOCQHMNTSA-N 318.377 -0.472 30 20 DBED C#CCNC(=O)CNCCC[C@H](C)NC(=O)c1cnn(C)c1N 1755494558 WFNCPYHRJXQQBR-NSHDSACASA-N 320.397 -0.760 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@@H](O)CN(C)C(=O)C1(C)CC=CC1 1755787065 PJCDZHBEFTZFAU-UONOGXRCSA-N 321.421 -0.111 30 20 DBED C=C(C)CNC[C@@H](O)CN(C)C(=O)CCn1cnccc1=O 1755791893 QBWIXWKARYGERV-CYBMUJFWSA-N 308.382 -0.382 30 20 DBED C=CCNC(=O)CN(C)C[C@H](O)CN(C)C(=O)c1cc[nH]c1 1755800918 QBDSPNNNPLPMPP-ZDUSSCGKSA-N 308.382 -0.318 30 20 DBED C#CCCN(CCNC(=O)[C@H]1CCNC(=O)CC1)CCOC 1755838902 BSIKYIBRQTZLEX-CQSZACIVSA-N 309.410 -0.009 30 20 DBED C#Cc1ccc(C(=O)N[C@H](C)CCCNC(=O)CC(N)=O)nc1 1756328404 SBJJZEFVLWYNDD-LLVKDONJSA-N 316.361 -0.047 30 20 DBED CC(=O)N(C)CC(=O)NCCOCCN(C)C(=O)[C@@H](C)C#N 1756369764 AVXRDFCYMLQAAA-NSHDSACASA-N 312.370 -0.784 30 20 DBED C=C[C@](C)(CC)C(=O)N[C@H](CO)CNC(=O)c1ccc(O)nn1 1756506587 RIZDTMDUGKWLOQ-ZUZCIYMTSA-N 322.365 -0.009 30 20 DBED C=CCO[C@H](C)C(=O)N[C@H](CO)CNC(=O)c1ccnn1C 1756508095 OUEHXRUMGOHAHI-MNOVXSKESA-N 310.354 -0.782 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)NC[C@H](CO)NC(=O)CC 1756528955 WPJOBBINYHQDNI-SNVBAGLBSA-N 314.386 -0.747 30 20 DBED CC(C)C#CC(=O)N(C)C[C@@H](O)CNC(=O)[C@@]1(F)CCOC1 1756661760 FAPCXUKWKIXIGW-SWLSCSKDSA-N 314.357 -0.290 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(C(=O)COC(C)C)C[C@H]1O 1756997336 OJUVDHAXXKDYRC-JHJVBQTASA-N 312.366 -0.862 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)Cc1cc(C)no1)CCO2 1783046887 ROWCYJGYJDGHNP-MRXNPFEDSA-N 317.345 -0.011 30 20 DBED N#CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](N)CN)CC1 1826319383 SPLCZYDTPPUFFI-KBPBESRZSA-N 321.425 -0.194 30 20 DBED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)COC)C2)C1 1840172239 AWNOBTCUHNLZFM-OAHLLOKOSA-N 312.366 -0.335 30 20 DBED NC(=O)NCC(=O)N1CCCC12CN(C(=O)C#CC1CC1)C2 1847106322 YNBDJIOQYCBALD-UHFFFAOYSA-N 304.350 -0.729 30 20 DBED CC(C)[C@@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)C(N)=O 107355656 ZEZSPFMTBZQBRA-CYBMUJFWSA-N 302.334 -0.086 30 20 DBED C[C@@H]1CN([C@H](C(N)=O)c2ccc(C#N)cc2)C[C@H](C(N)=O)O1 122131811 VDTCZGBMJFJCPR-WQAKAFBOSA-N 302.334 -0.341 30 20 DBED N#Cc1ccc(S(=O)(=O)NCC2CCN(CCO)CC2)cn1 161406294 LPSNZDGBFMLGFJ-UHFFFAOYSA-N 324.406 -0.064 30 20 DBED C=CCN1CCC(NC(=O)CN2CCN(CC)C(=O)C2=O)CC1 171718548 ORJOAJGOQFCOEF-UHFFFAOYSA-N 322.409 -0.556 30 20 DBED CNC(=O)CN1CCN(C(=O)Cc2ccc(C#N)cc2)CC1 195181744 XZPHNSOOXIDUBA-UHFFFAOYSA-N 300.362 -0.009 30 20 DBED Cn1c(=O)c2nc(CN3CCC(C#N)CC3)[nH]c2n(C)c1=O 195313897 MPVOUNXDRPPTMN-UHFFFAOYSA-N 302.338 -0.304 30 20 DBED C=CCN(CCC#N)C(=O)C1CCN(S(N)(=O)=O)CC1 292536216 VGZYABAYDMEDCX-UHFFFAOYSA-N 300.384 -0.170 30 20 DBED Cn1nnc(C/N=C(/O)N2CCC[C@H](C(=O)N3CCCC3)C2)n1 330223491 NDNYFOLPFZRFRI-NSHDSACASA-N 321.385 -0.042 30 20 DBED CN(CCS(=O)(=O)c1ccc(C#N)cn1)Cc1nc[nH]n1 343740413 FPSQYOHDQCGTGZ-UHFFFAOYSA-N 306.351 -0.023 30 20 DBED CN(CC(N)=O)C(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1 352524393 QRFRKHKSFVLCJI-ZDUSSCGKSA-N 314.345 -0.007 30 20 DBED Cc1onc(CC(=O)N(CCO)CCN2CCOCC2)c1C#N 354608051 NBROKKZWWFIWFW-UHFFFAOYSA-N 322.365 -0.450 30 20 DBED C=C(C)CNC(=O)N(CC)CC(=O)N[C@@H]1CCS(=O)(=O)C1 361570446 WKRVACDOJPVIEV-LLVKDONJSA-N 317.411 -0.103 30 20 DBED C#CCN(CC#N)C(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1 491022311 QDOZMCCJOMHPOM-GFCCVEGCSA-N 304.331 -0.298 30 20 DBED N#Cc1ccc(C(=O)NC[C@H]2CS(=O)(=O)CCO2)cc1O 525952086 JAJCSMHTDIUYNW-NSHDSACASA-N 310.331 -0.193 30 20 DBED CC1CC(C#N)(C(=O)N2CCN(CCS(N)(=O)=O)CC2)C1 531757204 LXNUZLIAOVCZAM-UHFFFAOYSA-N 314.411 -0.641 30 20 DBED C[C@@H](CN1CCOCC1)NC(=O)NCCn1cnc(C#N)n1 553469800 UZSPWNTXNPGRNP-NSHDSACASA-N 307.358 -0.830 30 20 DBED C[C@@H]1CCN(C(=O)C(=O)N2CCN(CCC#N)CC2)[C@H]1CO 601461329 AZPWEWADDUMBAC-OLZOCXBDSA-N 308.382 -0.726 30 20 DBED CS(=O)(=O)N1CCCC[C@@H]1C(=O)N1CCO[C@H](C#N)C1 609269296 RALQXPAJLORUNV-GHMZBOCLSA-N 301.368 -0.449 30 20 DBED COC(=O)CCNC(=O)CN1CCN([C@H](C#N)C(C)C)CC1 609485996 BJPPWKPMTPYSQF-CYBMUJFWSA-N 310.398 -0.169 30 20 DBED COCCNS(=O)(=O)c1c[nH]c(C(=O)NC[C@@H](C)C#N)c1 610258080 WHTGSGVCUVHRBX-VIFPVBQESA-N 314.367 -0.171 30 20 DBED CC#CC[C@H](CO)NC(=O)NCCCN1CCC[C@@H](C(N)=O)C1 645305031 KSQJZUTZACXBIA-ZIAGYGMSSA-N 324.425 -0.353 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCC(C)(C)NS(C)(=O)=O 731837476 ABENTROJYJPFQC-NSHDSACASA-N 301.412 -0.472 30 20 DBED NC(=O)CNC(=S)NN=C1CCN(Cc2ccccn2)CC1 731929721 KRAKJKFRZRWEDL-UHFFFAOYSA-N 320.422 -0.017 30 20 DBED C#CCNC(=O)[C@@H](C)OC(=O)c1ccc(-c2nn[nH]n2)nc1 735380999 JNKBCKGGKKQVPL-MRVPVSSYSA-N 300.278 -0.444 30 20 DBED C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)O[C@@H](C#N)C1CC1 756296452 WFGSGOXCIGWYSS-KCJUWKMLSA-N 312.351 -0.068 30 20 DBED C[C@H](NS(C)(=O)=O)C(=O)OCC(=O)N[C@](C)(C#N)C1CC1 758475888 DXKNDFKKFINWCU-QPUJVOFHSA-N 317.367 -0.724 30 20 DBED COC[C@H](C#N)OC(=O)COc1ccc(S(N)(=O)=O)cc1 785273624 YCXLHWDZYVHJLJ-JTQLQIEISA-N 314.319 -0.205 30 20 DBED C#CCCCS(=O)(=O)NC[C@H]1CCC[C@@]12NC(=O)NC2=O 805022046 HBZCASRJFXZPLG-ZWNOBZJWSA-N 313.379 -0.303 30 20 DBED C#CCCCNC(=O)C(=O)N1CCC[C@H]1CS(=O)(=O)NC 806916977 XUIIRRXYYHNOKM-NSHDSACASA-N 315.395 -0.944 30 20 DBED Cc1cc(NC(=O)C(=O)NCC(=O)NCC#N)ccc1N(C)C 807403125 UTWUMQHOJFAVKS-UHFFFAOYSA-N 317.349 -0.245 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@H]1CCN(C(=O)CC)C1)[C@H]1CCCO1 807840887 MUMALKPTRTXLAA-RWMBFGLXSA-N 321.377 -0.590 30 20 DBED CON=CC(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1 809679248 BRKTUXPPJBFVED-UHFFFAOYSA-N 313.326 -0.001 30 20 DBED CC#CC[C@H](CO)NC(=O)Cn1cccc(C(=O)OC)c1=O 823728751 SKIRKXUIOCZDSR-LLVKDONJSA-N 306.318 -0.475 30 20 DBED C#CC1CCN(Cc2nc3c(=O)n(C)c(=O)n(C)c3[nH]2)CC1 830345802 UDQFVHBVOVKCKN-UHFFFAOYSA-N 301.350 -0.195 30 20 DBED C#C[C@H](NC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C)[C@H]1CCCO1 842163529 MTNQVKUKLVAKRL-ZDEQEGDKSA-N 323.393 -0.487 30 20 DBED CCOC(=O)CON=C(C(=O)N1CCC[C@@H](O)C1)c1cc[nH]n1 846614558 UJIJSSBAFYAJFJ-SNVBAGLBSA-N 324.337 -0.323 30 20 DBED CN(CC(=O)N[C@H]1CCCN(O)C1=O)c1ncnc2[nH]cnc12 848138055 JMRBZVRDJYLUPL-QMMMGPOBSA-N 319.325 -0.715 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[C@@H]3C[C@@H]3C2)c1=O 853581747 YKCFSPKODMVAGH-CHWSQXEVSA-N 318.377 -0.157 30 20 DBED COC(=O)C[C@H](O)CNS(=O)(=O)c1cccc(F)c1C#N 859343637 CLGXKQBFRXNNGX-QMMMGPOBSA-N 316.310 -0.100 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N1CC[C@](C)(C(=O)NC)C1 875597620 LUJXMJRXLIGCID-WBMJQRKESA-N 323.393 -0.484 30 20 DBED COCCN(CCC#N)C(=O)CN1CCCCS1(=O)=O 878946773 DVYNHKGXWIXGJJ-UHFFFAOYSA-N 303.384 -0.199 30 20 DBED C#CC1(O)CN(C(=O)Cc2c(C)nc3cc(O)nn3c2C)C1 890523153 QPRHAGGLYKDLTC-UHFFFAOYSA-N 300.318 -0.199 30 20 DBED CN1CCN(C(=O)C#Cc2ccc3c(c2)OCO3)[C@H](CO)C1 912743372 VPOCBAYZDUODMC-ZDUSSCGKSA-N 302.330 -0.098 30 20 DBED O=C(Cn1cnnn1)N[C@@H]1CCCCN(C(=O)C#CC2CC2)C1 943075077 MVDRXNPBCHZGBE-CYBMUJFWSA-N 316.365 -0.416 30 20 DBED COCC(=O)N1CCO[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1 944557385 INUURYRYJBIILP-LLVKDONJSA-N 306.322 -0.510 30 20 DBED N#CCN1CCOC2(CCN(C(=O)[C@@H]3CC[C@H]3C(N)=O)CC2)C1 949430247 PBLRYVBENXMKKR-CHWSQXEVSA-N 320.393 -0.285 30 20 DBED NC(=O)C(=O)N1CC[C@H](C2CCN(C(=O)C#CC3CC3)CC2)C1 952287834 FUNZNPZSEMSZKA-AWEZNQCLSA-N 317.389 -0.028 30 20 DBED C#CCCN1C[C@@H](O)[C@H](CNC(=O)c2cc3n(n2)CCC3)C1 958125798 CFCYOIQEDJKXLH-IUODEOHRSA-N 302.378 -0.125 30 20 DBED N#CCN1C[C@H](CNC(=O)c2cccc3ncnn23)[C@@H](O)C1 958224870 YWAYYFPESSSWFY-JQWIXIFHSA-N 300.322 -0.725 30 20 DBED C#CCN1C[C@H](CNC(=O)c2cnc3n2CCCC3)[C@@H](O)C1 958344145 GFVHDUNPIZJOKJ-JSGCOSHPSA-N 302.378 -0.125 30 20 DBED COCC(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1c[nH]c(C#N)c1 960268322 ZRJWTTZZFLMUQV-QWHCGFSZSA-N 318.333 -0.415 30 20 DBED N#CCN1C[C@H]2[C@H](NC(=O)[C@H]3COCCN3CC(F)F)[C@H]2C1 961374070 RHFQSWFYPSSLHI-XZUYRWCXSA-N 314.336 -0.478 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)c1ccncn1 964317217 CEUIHKGZWSQSNS-MNOVXSKESA-N 303.322 -0.407 30 20 DBED CC(C)[C@@H](O)C(=O)N1CC2(CN(C(=O)C#CC3CC3)CCO2)C1 965372760 BSCUAEKNVPSGFX-OAHLLOKOSA-N 320.389 -0.144 30 20 DBED C[C@@H](N[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1)c1nnnn1C 968462858 VCLCFKVYSYTTQV-MWLCHTKSSA-N 314.353 -0.025 30 20 DBED C#CCN1CC[C@@H](C)[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)C1 968626619 BRUGALCLDSZCPQ-NEPJUHHUSA-N 306.366 -0.660 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@H](NC(=O)[C@@H]2CCN(C)C2=O)C1 969840409 KBBVUEXAHTYMEQ-TUAOUCFPSA-N 323.393 -0.635 30 20 DBED CC1(C)CN(CC#N)C[C@H]1NC(=O)c1nccnc1C(N)=O 977568854 SQQBOEOUGSICQO-SECBINFHSA-N 302.338 -0.461 30 20 DBED C=CCCn1cc(C(=O)NCC2[C@H]3CN(CC(N)=O)C[C@H]23)nn1 978813821 HWKIFZSDRGCOLG-VXGBXAGGSA-N 318.381 -0.753 30 20 DBED C#CCCN1C[C@H]2C(CNC(=O)c3nccnc3C(N)=O)[C@@H]2C1 979064924 VRYCZDMBRJUKQX-RYUDHWBXSA-N 313.361 -0.494 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)c3cnn(C)n3)C[C@H]2C1 986593820 DAHUAFHHRZTUKV-UTUOFQBUSA-N 316.365 -0.105 30 20 DBED C[C@H]1C[C@H](NCC#N)CN1C(=O)Cn1[nH]cc2c(=O)ncnc1-2 989569089 RFSXJBIHULIMLH-UWVGGRQHSA-N 315.337 -0.826 30 20 DBED O=C(Cc1cnoc1)N[C@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1O 991699417 UCOPKUXEUQOEFM-KBPBESRZSA-N 317.345 -0.292 30 20 DBED N#CCN[C@@H]1CCC[C@H]2CN(C(=O)CN3CCOCC3=O)C[C@@H]21 992703066 AHOVNVQZEDJCMG-MELADBBJSA-N 320.393 -0.415 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)Cn3nccn3)C[C@]2(C)C1 992966254 JYVBNYLIMDLQOZ-TYNCELHUSA-N 316.365 -0.255 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)c2cc(C(N)=O)ccn2)C1 995324648 NBWVSYNGYDZANJ-QMMMGPOBSA-N 301.306 -0.719 30 20 DBED C=CC(C)(C)C(=O)N1CC(NC(=O)C2CC(=O)NC(=O)C2)C1 995680695 ZINPWKBRZMOKMW-UHFFFAOYSA-N 307.350 -0.422 30 20 DBED CC#CCN1CCC[C@H](NC(=O)CN2CCCS2(=O)=O)C1 1007463543 IMABJGAYKQCBHV-ZDUSSCGKSA-N 313.423 -0.374 30 20 DBED N#Cc1ccc(C(=O)NCC2[C@H]3CN(C(=O)CC(N)=O)C[C@H]23)[nH]1 1008951090 LUNWFZKMMVODIN-GHMZBOCLSA-N 315.333 -0.804 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(C(=O)c2cn(C)nn2)CC1 1011087566 UQJKCQCQAWQTBC-YPMHNXCESA-N 319.365 -0.309 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2C(NC(=O)c3cn(C)ccc3=O)[C@H]2C1 1013490212 BAVDXECFNIUASA-VWYCJHECSA-N 314.345 -0.268 30 20 DBED Cn1c(O)ncc(C(=O)NC2C[C@@H]3CC[C@H](C2)N3CC#N)c1=O 1021343910 WZHDIDAJHBLYJN-FGWVZKOKSA-N 317.349 -0.265 30 20 DBED N#Cc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCO3)C2)c[nH]1 1022991439 HSJXXZZUJHIGOG-JHJVBQTASA-N 318.333 -0.633 30 20 DBED O=C(C[C@H]1CCCO1)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1023110508 CVDXKQVRIOIKSE-MGPQQGTHSA-N 306.362 -0.343 30 20 DBED CCn1cccc1C(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1O 1023809200 MKRWJNNMKUPYJU-DMDPSCGWSA-N 304.350 -0.031 30 20 DBED C#CCN[C@@H]1CC[C@H]2CN(C(=O)CN3CCN(C)C(=O)C3)C[C@H]21 1026298201 MVARUECACIBSKK-RRFJBIMHSA-N 318.421 -0.780 30 20 DBED CC(=O)N1CCO[C@@H](C(=O)NC2CCC(NCC#N)CC2)C1 1026600073 CAFGCCIJBFVDJD-JXQTWKCFSA-N 308.382 -0.226 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCCN1CC(=O)N(C)C 1027942273 BFKAQGIPIKWIMA-GJZGRUSLSA-N 320.437 -0.247 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2CCCN2[C@H](CC)C(N)=O)nn1 1028187834 OQCPOVSXJOTZBG-WCQYABFASA-N 320.397 -0.078 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)Cc3nnc(C)o3)C2)C1=O 1030277947 PQFBBJPIVBGUFQ-LBPRGKRZSA-N 319.365 -0.492 30 20 DBED C=CCN1CC[C@@H](N2CC(CNC(=O)[C@H]3CCC(=O)N3)C2)C1=O 1031585578 ZVNFCVOQXIYJQK-CHWSQXEVSA-N 320.393 -0.900 30 20 DBED C#Cc1ccc(C(=O)N(C)[C@@H]2CCN(CC(=O)NC)C2)cn1 1033598447 KNHOVDSUHKUSQT-CQSZACIVSA-N 300.362 -0.045 30 20 DBED Cn1cnn(CC(=O)N2CC[C@@H]3[C@@H](CCN3CC#N)C2)c1=O 1036753636 TZEIQSDSQTVZHO-NWDGAFQWSA-N 304.354 -0.972 30 20 DBED Cn1nc(C2CC2)nc1CC(=O)N[C@H]1[C@H]2C[C@H]1N(CC#N)C2 1037730134 OHBUBYTWYUXDES-WDMOLILDSA-N 300.366 -0.053 30 20 DBED C=C(C)CCC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2CCNC2=O)C1 1040047964 OXPKFEJDCIWZFM-WBMJQRKESA-N 323.393 -0.442 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@]2(CCN(Cc3nc(=O)n(C)[nH]3)C2)C1 1041146359 MHYSZAGBIKORGE-ABAIWWIYSA-N 318.381 -0.308 30 20 DBED C=CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)[C@@H]2CCOC2)C1 1041889376 MPVJIHKDRMYNGE-VXGBXAGGSA-N 312.366 -0.697 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)CNC(=O)C2CCC2)C1 1041969697 OTMILPGQPAQDRH-UHFFFAOYSA-N 323.393 -0.442 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCCOC2)C1 1042039934 MCLAYKXYOHWYJJ-GFCCVEGCSA-N 312.366 -0.695 30 20 DBED Cn1nc(C(=O)N2CC[C@@H]3CCN(CC#N)[C@@H]3C2)ccc1=O 1042344002 QLQNZDQPTJVVCX-WCQYABFASA-N 301.350 -0.160 30 20 DBED N#Cc1c[nH]c(C(=O)NCC2(O)CN(C(=O)c3ccc[nH]3)C2)c1 1042402000 SRNBXWUHBXGZSP-UHFFFAOYSA-N 313.317 -0.169 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)[C@H](O)C(C)C)C1 1042880278 GIHKMYOODNPLQV-NWDGAFQWSA-N 314.382 -0.716 30 20 DBED N#Cc1ccc(C(=O)N2CC(O)(CNC(=O)[C@H]3CC3(F)F)C2)[nH]1 1042909268 BTTSVNGOFKUCDR-SECBINFHSA-N 324.287 -0.155 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)[C@@H](C)NC(=O)CC)C1 1043403542 JBARULNQIGTQRN-GFCCVEGCSA-N 323.393 -0.606 30 20 DBED N#Cc1cncc(N2C[C@H](O)[C@H](NC(=O)[C@@H]3CCCCO3)C2)n1 1043894415 ZNIRFVROHKZHGP-AGIUHOORSA-N 317.349 -0.417 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)c2cc3c([nH]2)CCC3)C1 1043898071 AQIBQDOOETXKDS-JTQLQIEISA-N 316.361 -0.034 30 20 DBED N#Cc1nccnc1N1C[C@H](O)[C@H](NC(=O)c2cncnc2)C1 1043917771 GYWCWMUXEHZBSB-NEPJUHHUSA-N 311.305 -0.882 30 20 DBED CN(C(=O)[C@@H]1OCC[C@@H]1Cn1cccn1)C1CN(CC#N)C1 1044040237 GWNIIXSDDVKNKG-TZMCWYRMSA-N 303.366 -0.046 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(c2ncccn2)C[C@@H]1O 1044559609 KEAULIAQXFLKSJ-NDBYEHHHSA-N 304.350 -0.267 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)CCc2ncccn2)C1 1045546029 GWLFWVUDSWOEHC-NSHDSACASA-N 317.349 -0.742 30 20 DBED Cc1c(C(=O)N2CC(O)(CNC(=O)[C@H](C)C#N)C2)ccn1C 1045552873 XHQNGWSQFFHLDI-SNVBAGLBSA-N 304.350 -0.204 30 20 DBED C=C[C@@](C)(CC)C(=O)NCC1(O)CN(C(=O)[C@H]2CCNC2=O)C1 1045782853 LFVBZBDGAOLTBU-NHYWBVRUSA-N 323.393 -0.586 30 20 DBED N#CCN1[C@H]2CC[C@H]1CN(C(=O)CN1CCNC(=O)C1)CC2 1045826906 YPWOWNUQBQSECN-STQMWFEESA-N 305.382 -0.993 30 20 DBED C#CCN1CC[C@H](N2CCN(C(=O)c3c[nH]c(=O)cn3)CC2)C1 1046054916 RUTXSVVHROVSEY-ZDUSSCGKSA-N 315.377 -0.765 30 20 DBED C=C(C)CN1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)N2C(=O)CCC2=O)C1 1047401011 YOZSLQPTWYJJJH-AVGNSLFASA-N 323.393 -0.397 30 20 DBED CN(C(=O)[C@H]1CCc2n[nH]cc2C1)[C@H]1CN(CC#N)C[C@@H]1O 1047596890 BMOYLSPNUQJKGO-BPNCWPANSA-N 303.366 -0.458 30 20 DBED C=CCOCC(=O)N(C)[C@H]1CN(C(=O)c2cccnc2)C[C@@H]1O 1048551726 PKLMPLKWWUKIOJ-KBPBESRZSA-N 319.361 -0.072 30 20 DBED C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1cn(CC(N)=O)nn1 1049918581 LYTBYNGWJGOCTH-STQMWFEESA-N 318.381 -0.372 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)c1cnc2[nH]c(O)nc2c1 1050991399 WVGIDKFKBDBHCM-LLVKDONJSA-N 315.333 -0.273 30 20 DBED C#CCOc1ncccc1C(=O)NC[C@H]1COCCN1CCO 1051216847 MXIBIDINTVTDPL-ZDUSSCGKSA-N 319.361 -0.484 30 20 DBED CNC(=O)NCC(=O)NC[C@@H]1CN(C(=O)C#CC(C)C)C[C@@H]1C 1052547562 HECUYDPGCFFGCX-QWHCGFSZSA-N 322.409 -0.215 30 20 DBED N#Cc1nccnc1N1C[C@H]2C(NC(=O)C34CCN(CC3)C4)[C@@H]2C1 1056268059 STPRUCNPMGMQIQ-VXGBXAGGSA-N 324.388 -0.005 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCCN(CCO)C(=O)C(F)F 1056750295 YNKUSGSUBHPIKM-ZJUUUORDSA-N 306.309 -0.220 30 20 DBED CN(c1nccnc1C#N)[C@H]1CCN(C(=O)c2ncn(C)n2)C1 1056910514 WMILZUHJGWUIRN-JTQLQIEISA-N 312.337 -0.172 30 20 DBED C#CCOCCC(=O)NCCN(CCO)C(=O)c1ccoc1 1056965622 YVPPPFXWMDGKRU-UHFFFAOYSA-N 308.334 -0.130 30 20 DBED O=C(C#CC1CC1)NCCN(CCO)C(=O)CO[C@H]1CCOC1 1057593108 ZUMQAZYXBDKNRR-AWEZNQCLSA-N 324.377 -0.858 30 20 DBED C=CCCOCC(=O)N(CCO)CCNC(=O)CCOCC 1057919088 LYCPIRHNCJETGX-UHFFFAOYSA-N 316.398 -0.057 30 20 DBED CCc1nc(C#N)cc(N2CCC[C@H](NC(=O)C(N)=O)C2)n1 1058230000 JQPBPEPMUGGODW-VIFPVBQESA-N 302.338 -0.519 30 20 DBED Cc1cc(C#N)nc(N2CC[C@@H](NC(=O)Cn3cnnn3)C2)n1 1058308248 MECRFYCKWLEFQJ-SNVBAGLBSA-N 313.325 -0.962 30 20 DBED CN1C[C@@H](C(=O)N[C@H]2CCN(c3ncccc3C#N)C2)NC1=O 1058504412 PSNSUDJJCICWFQ-RYUDHWBXSA-N 314.349 -0.328 30 20 DBED CCn1ncc(C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N)c1C 1058655124 QXYPTTHSHXOIMJ-NSHDSACASA-N 321.381 -0.078 30 20 DBED CN1CCO[C@H](C(=O)N2CC[C@H](Nc3cnc(C#N)cn3)C2)C1 1058857230 MTJBUVGJAMPBSW-AAEUAGOBSA-N 316.365 -0.308 30 20 DBED N#Cc1nccnc1N[C@H]1CCN(C(=O)[C@H]2CCCNC2=O)C1 1058984868 ADPJCHUMTVQIDI-QWRGUYRKSA-N 314.349 -0.113 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@@H]1CCN(C(=O)C2CC2)C1 1058988074 VONAOSMBTHXNND-GFCCVEGCSA-N 305.378 -0.109 30 20 DBED CN1CC[C@H](C(=O)N2CC[C@H](Nc3ccc(C#N)nn3)C2)C1=O 1059031888 MGOYCMREQFAVBK-RYUDHWBXSA-N 314.349 -0.161 30 20 DBED CN1CCOC[C@H]1C(=O)N[C@H]1C[C@@H](N=c2cc[nH]cc2C#N)C1 1059598097 SQDYHNOZTCHHAD-GUTXKFCHSA-N 315.377 -0.235 30 20 DBED C[C@H](C#N)C(=O)NCC[C@H]1CCN(C(=O)CCNC(N)=O)C1 1059631722 KHSMYHPFUWLNKP-MNOVXSKESA-N 309.370 -0.441 30 20 DBED C=CCOCC(=O)N1CC2(CCN(C(=O)CNC(C)=O)CC2)C1 1060951983 LUFPDDSBHDGEBE-UHFFFAOYSA-N 323.393 -0.224 30 20 DBED CO[C@H](C)C(=O)N1CCOC[C@H]1CNC(=O)CSCC#N 1061318464 UJKMUBGCGJALLL-GHMZBOCLSA-N 315.395 -0.378 30 20 DBED COCCC(=O)N1CCO[C@@H](CNC(=O)CSCC#N)C1 1064705908 NNQIQIVRVPFMEE-NSHDSACASA-N 315.395 -0.377 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)c2nccnc2N)CCO1 1064992341 CDQOFEBKUTXHKW-LLVKDONJSA-N 319.365 -0.018 30 20 DBED C=C(C)C[C@H](C)C(=O)NC[C@@H]1CN(C(=O)CC(N)=O)CCO1 1065000725 FMLNFFHYAPSQIS-NWDGAFQWSA-N 311.382 -0.192 30 20 DBED CC(=O)N[C@@H](C)C(=O)NC[C@H]1CN(C(=O)C#CC2CC2)CCO1 1065134652 KPDIHFVWJAPACQ-FZMZJTMJSA-N 321.377 -0.732 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CN(C(=O)c2cnnc(O)c2)CCO1 1065265042 DVPMAPYBRPZQQO-KOLCDFICSA-N 319.321 -0.701 30 20 DBED CN(C(=O)C(N)=O)[C@H]1CN(c2cccc(F)c2C#N)C[C@@H]1O 1065618779 FLXNAWSPXSWXGF-RYUDHWBXSA-N 306.297 -0.809 30 20 DBED C[C@H]1CN(C(=O)Cn2cnnn2)C[C@H]1Nc1ncccc1C#N 1067042090 JKSWOCZLXXSZGH-CMPLNLGQSA-N 312.337 -0.101 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1COC2(C1)CN(C(=O)c1cnn(C)c1)C2 1069003143 KHSOHKQSSAMFJD-PWSUYJOCSA-N 317.349 -0.321 30 20 DBED CC#CCCCC(=O)NC1(CNC(=O)CC(N)=O)CCOCC1 1070205921 XVMSINJUNDZOEW-UHFFFAOYSA-N 323.393 -0.163 30 20 DBED CN1C[C@@H](C(=O)N2C[C@H]3C[C@@H]4CN(CC#N)C[C@]3(C2)O4)CC1=O 1070806123 DBNMRYAZTXKZQY-VPWBDBDCSA-N 318.377 -0.710 30 20 DBED CN1CC[C@H](C(=O)N2C[C@H]3C[C@@H]4CN(CC#N)C[C@]3(C2)O4)C1 1070888916 HPPZTXNCFZXDMK-DSJMHWKBSA-N 304.394 -0.237 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)c2ccnnc2)CC1 1071003147 WHGZLOUVMVUQDW-UHFFFAOYSA-N 303.366 -0.073 30 20 DBED C=CCN[C@@H]1CCO[C@H]1C1CCN(C(=O)c2nnn(C)n2)CC1 1071079095 OEVDEFJFIIIVMP-OLZOCXBDSA-N 320.397 -0.005 30 20 DBED C=CCCOCC(=O)N[C@H]1CN(C(=O)Cn2nccn2)C[C@H]1C 1072184442 WDZCOMHVSCGEDE-OLZOCXBDSA-N 321.381 -0.166 30 20 DBED C=CCN1CCC2(C1)CN(C(=O)c1cn(C)c(=O)n(C)c1=O)C2 1073029615 CDJBRGVUWUQOPN-UHFFFAOYSA-N 318.377 -0.582 30 20 DBED C=CCN1CCO[C@@H]2CCN(C(=O)CN3CCCNC3=O)C[C@@H]21 1074285078 UXSSCJYLBBPHRY-UONOGXRCSA-N 322.409 -0.111 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]2CN(CCN3C(=O)CCC3=O)C[C@H]21 1075616356 QSQGQTVCVFEZSY-RWMBFGLXSA-N 318.377 -0.172 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3ncncc3C2)C1 1077119793 YVFVZHFRAXYMME-KCPJHIHWSA-N 302.378 -0.071 30 20 DBED Cc1nc2c([nH]1)C[C@H](C(=O)N[C@@H]1CN(CC#N)C[C@H]1O)CC2 1077260362 DBYWERBFPQZWJX-LERXQTSPSA-N 303.366 -0.492 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)c2c(OC)ncnc2OC)C1 1078273101 AIISRNGPTYHDEL-GHMZBOCLSA-N 320.349 -0.708 30 20 DBED C#CCN[C@H]1C[C@@H](NC(=O)CN2C(=O)CNC2=O)C12CCC2 1078804595 XFAGQKDDUXIOEM-WDEREUQCSA-N 304.350 -0.812 30 20 DBED CCN(C(=O)CCn1ccnn1)C1CN(C(=O)[C@H](C)C#N)C1 1079669704 VPJAWRJGNPMDNX-LLVKDONJSA-N 304.354 -0.113 30 20 DBED C#CCOCCC(=O)N(CC)C1CN(C(=O)c2cnon2)C1 1079772378 QJQNVIVZVKYMOZ-UHFFFAOYSA-N 306.322 -0.218 30 20 DBED C#CCOCCC(=O)N1CC(N(CC)C(=O)c2cnn(C)n2)C1 1080093913 CKFDEYJPLKFIEO-UHFFFAOYSA-N 319.365 -0.472 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CO)(NC(=O)[C@H]2CCN(C)C2)CC1 1080865345 RKLKPLHEAABJGH-OLZOCXBDSA-N 322.409 -0.433 30 20 DBED C=CCCC(=O)N1C[C@H](CNC(=O)c2cnn(C)n2)[C@@H](O)C1 1081600428 GAJSSJKZWQFRAC-JQWIXIFHSA-N 307.354 -0.670 30 20 DBED C#CCCN1C[C@@H](NC(=O)C[C@H]2CCN(C)C2=O)[C@H](OC)C1 1081831873 ZBSOSVDNMIHSPT-MGPQQGTHSA-N 307.394 -0.307 30 20 DBED C#CCN1C[C@@H](NC(=O)c2cn([C@H]3CCOC3)nn2)[C@H](OC)C1 1082310366 MFXZVKDXBKOCHQ-OUCADQQQSA-N 319.365 -0.698 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1coc(C(N)=O)c1 1083153102 LYDDBBIKMYFZOH-GXTWGEPZSA-N 317.345 -0.073 30 20 DBED CN(C)c1ccc(C(=O)N2CCO[C@@H]3CN(CC#N)C[C@@H]32)nn1 1083250673 FWZYSCOEJVQOAP-QWHCGFSZSA-N 316.365 -0.409 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@H]2CC(=O)N(C(CC)CC)C2)C1 1083503773 BNBNYTNYJNBQMT-CFVMTHIKSA-N 321.421 -0.182 30 20 DBED C#CCN1CC[C@H]1CN(C)C(=O)[C@@H]1CC(=O)N(CCOC)C1 1085626564 PDJPZCUWGGFHCI-KGLIPLIRSA-N 307.394 -0.353 30 20 DBED N#CCN1C[C@H]2CC[C@H]1[C@H]1CN(C(=O)Cn3cnnc3O)C[C@@H]21 1087350539 CPUFSQOWBBQPRU-VOAKCMCISA-N 316.365 -0.324 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)[C@@H]3CCCN3C(N)=O)C[C@@H]2C1 1088220595 KWNKXHXZWANRHA-RDBSUJKOSA-N 304.394 -0.057 30 20 DBED C[C@H](NC(N)=O)C(=O)N1CC[C@H](Nc2ccc(C#N)nn2)[C@@H]1C 1090216638 RJYSUTAXDTVFID-QXEWZRGKSA-N 317.353 -0.194 30 20 DBED C#CCN1CC[C@H](NC(=O)Cc2ccc(OC)cn2)[C@@H](O)C1 1090510085 KAOPCVXXAIPORE-GJZGRUSLSA-N 303.362 -0.183 30 20 DBED CC(C)OCC(=O)N[C@H]1CCN(c2cnc(C#N)cn2)C[C@H]1O 1092140505 OXBZBZWLTWXIBL-QWHCGFSZSA-N 319.365 -0.171 30 20 DBED CS(=O)(=O)CC(=O)NCC1CC(Nc2cnc(C#N)cn2)C1 1092212280 KLMCVXURVZBVPE-UHFFFAOYSA-N 323.378 -0.300 30 20 DBED CC(=O)N[C@H](C)C(=O)N1CCN(c2nc(C)cc(C#N)n2)CC1 1093130955 PRVYTCTXNNTZPG-LLVKDONJSA-N 316.365 -0.170 30 20 DBED C#CCO[C@H](C)C(=O)N1CCN(c2ccc3nnnn3n2)CC1 1093179297 XLCZJVACFWZZMS-LLVKDONJSA-N 315.337 -0.794 30 20 DBED CNC(=O)[C@H](C)N1CC(OC2CCN(C(=O)[C@H](C)C#N)CC2)C1 1093517507 PXQWERWBCSKNEN-NEPJUHHUSA-N 322.409 -0.028 30 20 DBED Cc1cc(=NCCNC(=O)[C@H](C)N2CCOCC2)c(C#N)c[nH]1 1093731219 SSNCAMVKPZNUNS-ZDUSSCGKSA-N 317.393 -0.068 30 20 DBED N#Cc1cnc(NCCNC(=O)[C@H]2CCCCN2C(N)=O)cn1 1093856005 LILOFJPDTCCYHH-LLVKDONJSA-N 317.353 -0.190 30 20 DBED N#Cc1nccnc1NCCCNC(=O)C[C@H]1CCNC1=O 1094617181 AALXQLKMJZLHSD-SNVBAGLBSA-N 302.338 -0.207 30 20 DBED C#CCN1CCN(C(=O)CC(C)(F)F)[C@@H]2CS(=O)(=O)C[C@@H]21 1094658516 ZTXOVNCHWAZINE-WDEREUQCSA-N 320.361 -0.025 30 20 DBED CC#CCN1CC(N2C[C@@H](NC(=O)[C@@H]3CCCN3C)CC2=O)C1 1094713884 KJUWTYDAKFYKAU-ZFWWWQNUSA-N 318.421 -0.495 30 20 DBED N#CCN1CC(N2C[C@H](NC(=O)c3c[nH]c(C#N)c3)CC2=O)C1 1094722211 QFKKGZCVOZLEFB-GFCCVEGCSA-N 312.333 -0.575 30 20 DBED Cc1cc(C#N)nc(N2CC[C@H](NC(=O)[C@H](C)NC(N)=O)C2)n1 1096355196 FOIVRVDQLWQHJZ-UWVGGRQHSA-N 317.353 -0.592 30 20 DBED CC(=O)NC(C)(C)C(=O)N[C@H]1CCN(c2ccc(C#N)nn2)C1 1096399644 DRWZNFJDENOOKM-LBPRGKRZSA-N 316.365 -0.042 30 20 DBED CC(=O)NCC(=O)N1[C@H]2CC[C@H]1CN(c1nccnc1C#N)C2 1096879485 SIJNCMOPPGIUOO-RYUDHWBXSA-N 314.349 -0.336 30 20 DBED N#Cc1cncc(N[C@H]2C[C@@H](NC(=O)C3(C(N)=O)CC3)C2)n1 1097248528 KVTDFFGRQMYWHN-DTORHVGOSA-N 300.322 -0.327 30 20 DBED C[C@H](CNC(=O)CSCC#N)Nc1ccc2nnnn2n1 1097675942 IDYIHKDRCYPABC-MRVPVSSYSA-N 306.355 -0.307 30 20 DBED C=CCOCC(=O)NC[C@H](C)Nc1ncnc2c1nnn2C 1097719677 RXEOEMVNOKJFAW-VIFPVBQESA-N 305.342 -0.123 30 20 DBED CC#CCN(CCO)C1CCN(C(=O)c2cc(=O)n(C)o2)CC1 1098353837 CBPMGVBNYLRGBM-UHFFFAOYSA-N 321.377 -0.100 30 20 DBED C[C@H](CCNC(=O)[C@@H]1COC(=O)N1)Nc1nccnc1C#N 1099076625 DGEUHXIFAWEVJC-SCZZXKLOSA-N 304.310 -0.237 30 20 DBED C[C@H](CCNC(=O)c1cn(C)nn1)N=c1cc[nH]c(C#N)n1 1099109965 LEMZARSGTPZLQH-SECBINFHSA-N 300.326 -0.481 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@H](O)C1 1099757429 FKMDTKDNWVZMSD-UKRRQHHQSA-N 316.361 -0.299 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)c2cnco2)[C@H](O)C1 1099936634 BKIKZFPODIFSLG-GHMZBOCLSA-N 308.338 -0.858 30 20 DBED COCC#CCN1CC[C@H](NC(=O)Cc2cscn2)[C@H](O)C1 1100023971 BTAFIYHKDDUFMS-UONOGXRCSA-N 323.418 -0.113 30 20 DBED CN(CCNC(=O)[C@]1(C)CCNC1=O)c1cnc(C#N)cn1 1100325545 MBABAERTFFESBA-CQSZACIVSA-N 302.338 -0.573 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)[C@H](CC)N(C)C)C1 1102378072 MQPNNYSYVYNTMX-KFWWJZLASA-N 322.453 -0.240 30 20 DBED C#CCN1C[C@@H](C)[C@H](CNC(=O)CNC(=O)C2CCOCC2)C1 1102471677 OCJWXXJRXHWYQC-UKRRQHHQSA-N 321.421 -0.154 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCO2)C1 1102651866 BUTVHEQVIRQBQH-RBSFLKMASA-N 321.421 -0.011 30 20 DBED C[C@@H](CNC(=O)CN1CCOCC1)CNc1ccc(C#N)nn1 1103914318 GISQSRYVQXGCOQ-GFCCVEGCSA-N 318.381 -0.155 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H](C)CNc1ccc(C#N)nn1 1103955799 ALWBZVLOAMBLCI-LLVKDONJSA-N 314.349 -0.348 30 20 DBED CNC(=O)CC(=O)NC[C@@H](N=c1cc[nH]c(C#N)n1)C(C)C 1105176751 AEDKKRSAOBHZKW-SNVBAGLBSA-N 304.354 -0.541 30 20 DBED C=C(C)CNCc1cn(C2CN(C(=O)CNC(=O)NC)C2)nn1 1105256635 LGKVTZZBXWCOKB-UHFFFAOYSA-N 321.385 -0.744 30 20 DBED C#CCNC(=O)CC(=O)N1CCC(OC2CN(CC)C2)CC1 1105704128 OXOGDHBEFFYJSW-UHFFFAOYSA-N 307.394 -0.162 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)CN2CCOCC2)cn1 1105828602 HMKCJASIYWBSKL-AWEZNQCLSA-N 319.365 -0.826 30 20 DBED COC[C@@H](C)CC(=O)NC[C@H](O)CNc1cnc(C#N)cn1 1105941062 PWDRIKLPTBTTCH-CMPLNLGQSA-N 307.354 -0.090 30 20 DBED CCN(C)C(C)(C)C(=O)NC[C@@H](O)CN=c1cc[nH]cc1C#N 1106010766 FRZCTKWZDMKSBB-ZDUSSCGKSA-N 319.409 -0.006 30 20 DBED C=CCOCCNC[C@@H]1CN(C(=O)Cn2cnnc2O)C[C@H]1C 1106027591 AOGMGHFZALGJDO-CHWSQXEVSA-N 323.397 -0.130 30 20 DBED C=CCNC(=O)CNC[C@@H]1CN(C(=O)[C@H]2CCNC2=O)C[C@H]1C 1106522139 DYUXTQRCSVYZCH-UPJWGTAASA-N 322.409 -0.891 30 20 DBED CC(=O)N[C@@H](C)C(=O)NC/C=C/CNc1nccnc1C#N 1107020058 AIMMWHXBLFLOJQ-FSIBCCDJSA-N 302.338 -0.043 30 20 DBED C=CCCC(=O)NCc1cn(C2CN(CC(=O)N(C)C)C2)nn1 1107142480 GROGTHHKJDKJRY-UHFFFAOYSA-N 320.397 -0.195 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)[C@@H](OC)c2cnn(C)c2)C1 1108100017 QFTNLYMXTRGXMI-GOEBONIOSA-N 320.393 -0.052 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)C[C@H]2CCC(=O)N2C)C1 1108112750 AAZOJIUTAUFYSM-CJNGLKHVSA-N 307.394 -0.162 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)CC[C@@H]3CCOC3)CC2=O)C1 1108533875 FCNAPLVSSRJWSP-ZIAGYGMSSA-N 319.405 -0.162 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)c1cc(=O)n(C)cn1 1108760594 CWQWOHFDGNRMJD-VIFPVBQESA-N 313.321 -0.906 30 20 DBED CC(=O)N(C)CC(=O)N[C@H](C)CN(C)c1cncc(C#N)n1 1108827471 OLKGMHJFKOLFSL-SNVBAGLBSA-N 304.354 -0.233 30 20 DBED CCNC(=O)CC(=O)N[C@H](C)CN(C)c1ccnc(C#N)n1 1108945255 OKJMMGYNYXIGRA-SNVBAGLBSA-N 304.354 -0.185 30 20 DBED C[C@@H](CN(C)c1ccc(C#N)nn1)NC(=O)CCNC(N)=O 1108962198 YQYMWPZBMACICJ-VIFPVBQESA-N 305.342 -0.652 30 20 DBED C[C@H](CC(=O)N[C@H](C)CN(C)c1cnc(C#N)cn1)NC(N)=O 1109096954 IHHONIBLXDZZAT-NXEZZACHSA-N 319.369 -0.264 30 20 DBED N#Cc1nccc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)CCCC(N)=O)n1 1109711335 DJYOHKBGEYXEDO-FTGAXOIBSA-N 314.349 -0.303 30 20 DBED N#Cc1cnc(NC2(CNC(=O)Cn3cnnc3O)CC2)cn1 1110098766 BMXWLMQYNZRLKG-UHFFFAOYSA-N 314.309 -0.594 30 20 DBED C[C@@H](C#N)C(=O)N[C@@]1(C)CCN(c2nccn3nnnc23)C1 1110736197 UNFULOWEBBZBIY-ZANVPECISA-N 300.326 -0.236 30 20 DBED CC(=O)NCC(=O)N(C)[C@H]1CN(c2ncccc2C#N)C[C@@H]1O 1111169943 QOYGCYHONBSVTQ-STQMWFEESA-N 317.349 -0.903 30 20 DBED CC(=O)N[C@H](C)C(=O)N(CCO)CCNc1ccc(C#N)cn1 1111413872 LISVUXUARZBWDX-LLVKDONJSA-N 319.365 -0.289 30 20 DBED Cn1cnc(C(=O)N(CCO)CCN=c2cc[nH]cc2C#N)n1 1111461175 YWRQZESMWOFRIB-UHFFFAOYSA-N 315.337 -0.950 30 20 DBED C#CCO[C@@H](C)C(=O)N(CCO)CCNc1nccc(OC)n1 1111511018 TZEMTLCVPFTFHF-LBPRGKRZSA-N 322.365 -0.244 30 20 DBED C=CCN1C[C@@H]2CCC[C@]2(NC(=O)CNS(=O)(=O)NC)C1 1111821010 GHDJXXFYIFBQQX-AAEUAGOBSA-N 316.427 -0.803 30 20 DBED CCOCC(=O)NC[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1O 1112693048 WIGAGZZYCWYLNT-ZYHUDNBSSA-N 305.338 -0.702 30 20 DBED C[C@H](NC(=O)Cn1cnnc1O)[C@H](C)Nc1nccnc1C#N 1112978502 MUSGTBGANKISDW-IUCAKERBSA-N 316.325 -0.349 30 20 DBED C[C@H](N=c1cc[nH]c(C#N)n1)[C@H](C)NC(=O)Cn1cncn1 1113030493 BSKSNJHMHMVXOO-UWVGGRQHSA-N 300.326 -0.633 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)CCn2ccnc2)CC1 1113172464 JGRHGCPMAXEVGQ-CQSZACIVSA-N 317.393 -0.445 30 20 DBED C=CCCO[C@H](C)C(=O)NC1[C@@H]2CN(Cc3nnn(C)n3)C[C@@H]12 1113998667 BIHSBRGQEBDKJY-IJLUTSLNSA-N 320.397 -0.262 30 20 DBED COCc1noc(CN2C[C@H]3[C@H](NC(=O)[C@@H](C)C#N)[C@H]3C2)n1 1114064766 VDGAPMNIHOALNA-QISWUMQESA-N 305.338 -0.078 30 20 DBED N#Cc1ccc(N2C[C@H]3C(CNC(=O)Cc4nc[nH]n4)[C@@H]3C2)nn1 1114571834 IKRZHTSYCGNZQZ-RYUDHWBXSA-N 324.348 -0.493 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)[C@H]3CC[C@@H](C)O3)[C@@H]2C1 1114855717 CFSQQRNZONSIRR-FDYHWXHSSA-N 307.394 -0.098 30 20 DBED COCCOCC(=O)N(C)C[C@H](C)N=c1cc[nH]c(C#N)n1 1115659595 CPXSHUYFACXAAN-NSHDSACASA-N 307.354 -0.308 30 20 DBED C[C@H](CN(C)C(=O)[C@@H]1CCN(C)C1)N=c1cc[nH]c(C#N)n1 1115739555 HRCOMTFOVSOLSH-VXGBXAGGSA-N 302.382 -0.019 30 20 DBED CO[C@@H](CNC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1)C(C)C 1119136487 JATIVYINTHDGGA-KGLIPLIRSA-N 322.409 -0.028 30 20 DBED COC[C@@H](C)C(=O)NC1CC2(CC(NCC(=O)NCC#N)C2)C1 1120808418 YJRMOUZXVLIKQX-MPXNVAGNSA-N 322.409 -0.074 30 20 DBED Cc1cc(=N[C@@H](CO)CNC(=O)[C@@H]2CCOC2)c(C#N)c[nH]1 1121171352 GSNCLANTCVFTAN-DGCLKSJQSA-N 304.350 -0.391 30 20 DBED Cc1cc(CC(=O)NC[C@H](CO)Nc2nccnc2C#N)n[nH]1 1121288100 OUVGOELJWQWOKR-LLVKDONJSA-N 315.337 -0.489 30 20 DBED CC(=O)NCC(=O)N(C)C[C@H](O)CN=c1cc(C)[nH]cc1C#N 1124085754 CJBVXFOAIXZYGW-CYBMUJFWSA-N 319.365 -0.949 30 20 DBED Cc1cc(=NC[C@H](O)CN(C)C(=O)[C@H]2CCOC2)c(C#N)c[nH]1 1124140231 IVYBMMDIBPZXSP-JSGCOSHPSA-N 318.377 -0.049 30 20 DBED COC[C@@H](C)C(=O)N(C)C[C@H](O)CNc1ccc(C#N)nn1 1124196014 FPDWBXCDQISQNB-ZYHUDNBSSA-N 307.354 -0.138 30 20 DBED CN(C[C@@H](O)CNc1ncccc1C#N)C(=O)CCNC(N)=O 1124369865 KJSVTOOOBYJPSC-NSHDSACASA-N 320.353 -0.757 30 20 DBED CN(C[C@@H](O)CNc1ccc(C#N)nn1)C(=O)Cn1ccnc1 1124398992 IKCOJDJFXAGKGE-LBPRGKRZSA-N 315.337 -0.524 30 20 DBED COCCN(CCNC(=O)C(N)=O)c1snc(C)c1C#N 1126508319 RKHVPEGVTIWARE-UHFFFAOYSA-N 311.367 -0.623 30 20 DBED C[C@@H](NC(=O)CC(N)=O)C1CCN(c2nccnc2C#N)CC1 1126608939 AQBWYAQTKSWJCI-SNVBAGLBSA-N 316.365 -0.055 30 20 DBED C#CCO[C@H](C)C(=O)NCCNCC(=O)Nc1cc(C)nn1C 1127051343 GOTBKZOGDBLUOO-GFCCVEGCSA-N 321.381 -0.589 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@H]1CCCN(C(=O)CC)C1 1128005828 ZVFQROWJEKIGOO-ZDUSSCGKSA-N 324.425 -0.357 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H](n2ccnn2)[C@H](NC(C)=O)C1 1128607578 JTSMGWYZCGZPPV-RTXFEEFZSA-N 306.370 -0.670 30 20 DBED Cc1onc(C2CC2)c1C(=O)NCCNCC(=O)NCC#N 1131436646 OHLNYAFDSPWBGA-UHFFFAOYSA-N 305.338 -0.180 30 20 DBED C#CCCN[C@@H](C)C[C@@H](C)NC(=O)CCNS(C)(=O)=O 1134508312 AIBJEJUMMNUPGL-NWDGAFQWSA-N 303.428 -0.178 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)c1[nH]c(O)nc1C 1134681305 VFXVKDDCEQVBSJ-VHSXEESVSA-N 321.381 -0.340 30 20 DBED Cc1noc(C)c1[C@H](C)C(=O)NCCNCC(=O)NCC#N 1135305537 YYCXACKMJZSWDC-VIFPVBQESA-N 307.354 -0.259 30 20 DBED CC#CCN[C@@H](C)C[C@@H](C)NC(=O)CN1CC(=O)N(C)C1=O 1135919290 ATXYYEGYNGULQI-NWDGAFQWSA-N 308.382 -0.223 30 20 DBED CC(C)[C@@H]1C[C@@H](C(=O)NCCNCC(=O)NCC#N)CCO1 1146768574 DNMDEDBHVXSAMV-STQMWFEESA-N 310.398 -0.217 30 20 DBED C=CCN1CCC2(C1)CN(C(=O)CNS(=O)(=O)CC)C2 1147658707 YCUIYINSZYSNER-UHFFFAOYSA-N 301.412 -0.354 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)C[C@H]2CCN(C)C2)C1=O 1147885300 LNNNDEWVRRCTRW-ZIAGYGMSSA-N 308.426 -0.179 30 20 DBED COc1ccc(CNCCNC(=O)CCNC(N)=O)cc1C#N 1150423514 IGQLTULOBOIGSO-UHFFFAOYSA-N 319.365 -0.169 30 20 DBED C#CCNC(=O)CC(=O)NCCCNCC(=O)N[C@@H](C)CC 1156857515 RTKPLRGQENKNNV-LBPRGKRZSA-N 310.398 -0.864 30 20 DBED C#CCNC(=O)CNCCCNC(=O)Cn1cccc(C)c1=O 1157973161 VTXBENUXSOEDIC-UHFFFAOYSA-N 318.377 -0.998 30 20 DBED CNC(=O)NC(=O)CN1CC=C(CCNC(=O)[C@@H](C)C#N)CC1 1159587248 LNCOSSHHZQKZCF-NSHDSACASA-N 321.381 -0.260 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCCNCCN1CCNC1=O 1160209619 SMVOZCFRMUFNRW-AWEZNQCLSA-N 321.425 -0.795 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)CN1CCCCC1=O 1161730216 RBRGROPNAQLDSR-CYBMUJFWSA-N 322.409 -0.767 30 20 DBED N#CCNCCN(CCc1ccccc1)C(=O)[C@@H]1CNC(=O)N1 1162911183 FVPPSCSSCQHDMV-AWEZNQCLSA-N 315.377 -0.148 30 20 DBED C#CCNC(=O)CNCC1(CCNC(=O)COCC=C)CC1 1163791591 OTKKBFBGPJECRT-UHFFFAOYSA-N 307.394 -0.186 30 20 DBED N#CCN1CCO[C@@H]2CCN(C(=O)CNC(=O)C3CC3)C[C@H]21 1176925209 WAERVBZLEZHYJI-CHWSQXEVSA-N 306.366 -0.662 30 20 DBED CN(C)C(=O)C1(C(=O)N2CC[C@H]3OCCN(CC#N)[C@H]3C2)CC1 1177133233 ZAOLYYPMEYONPE-QWHCGFSZSA-N 320.393 -0.320 30 20 DBED C[C@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)C1=COCCO1 1178054941 PBAFBYOJBVHWJQ-QWRGUYRKSA-N 308.338 -0.907 30 20 DBED C=CCNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)[C@H](C)C#N)C1 1181652959 SESQNMSKKJHYMJ-GHMZBOCLSA-N 307.354 -0.652 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)Cn2cccc(C)c2=O)C1 1182545223 LKRYAFATKZCBKV-OAHLLOKOSA-N 317.389 -0.003 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H](F)C(F)(F)F)C1 1182718097 BMNNQPROBQYHGD-SCZZXKLOSA-N 309.263 -0.173 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 1184877607 VGAOBDQGZJIPBX-MGPQQGTHSA-N 306.410 -0.591 30 20 DBED C#CCCN1C[C@@H]2CCN(C(=O)CN(C)S(C)(=O)=O)[C@@H]2C1 1188103214 ZVBXGYMHUDRTOW-QWHCGFSZSA-N 313.423 -0.566 30 20 DBED COCC#CCN(C)[C@@H]1CCN(C(=O)CO[C@H]2CCOC2)C1 1190122025 VEWCJVKFOMXHAC-CABCVRRESA-N 310.394 -0.026 30 20 DBED C=C(C)CN(C)[C@@H]1CCN(C(=O)CN(C)S(C)(=O)=O)C1 1190473017 RYFLNTZQEXHTPZ-GFCCVEGCSA-N 303.428 -0.013 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1 1193571672 UMUJSJUVGREPPO-RYUDHWBXSA-N 308.382 -0.900 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCCN(C(=O)Cc2cc[nH]n2)CC1 1195393695 DGLLWCJZELUUDB-CYBMUJFWSA-N 317.393 -0.376 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)c2cc(=O)n(C)o2)CC1 1195613439 ZMCSOYQDXZNUKK-UHFFFAOYSA-N 322.365 -0.572 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)CCc2cnn(C)n2)C1 1196234205 BTTLGSBNEICZND-VXGBXAGGSA-N 313.789 -0.339 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCCN(C(=O)c2cnco2)CC1 1196690145 OSOCZHKQDYVSNR-GFCCVEGCSA-N 304.350 -0.040 30 20 DBED Cn1cc(C(=O)N2CCC(NCC(=O)NCC#N)CC2)cn1 1199242348 QQZKBBWSFDBQBI-UHFFFAOYSA-N 304.354 -0.746 30 20 DBED C#CCNC(=O)CC(=O)N1CCC(N[C@H](C)C(=O)N(C)C)CC1 1200178802 NFVIENNSAJUFQC-GFCCVEGCSA-N 322.409 -0.817 30 20 DBED C#CCNC[C@@H]1CN(C(=O)c2cn(CCOC)nn2)CCCO1 1200479363 QMHVFKJFEZMXHF-CYBMUJFWSA-N 321.381 -0.622 30 20 DBED C#CCCNC[C@H]1CN(C(=O)[C@H]2CCCNC2=O)CCCO1 1200737674 RTJANMCIDRGDER-KBPBESRZSA-N 307.394 -0.257 30 20 DBED C#CCNC[C@@H]1CN(C(=O)c2ccn(C)c(=O)c2)CCCO1 1200824574 OSYADAUJXKQWBG-CQSZACIVSA-N 303.362 -0.161 30 20 DBED C=CCCNCC1CCN(C(=O)Cn2ncn(C)c2=O)CC1 1205568421 RNCWCBRIRVGXOE-UHFFFAOYSA-N 307.398 -0.014 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2cscn2)[C@H](C)C1 1206517906 HTVZNQGCONBANU-GHMZBOCLSA-N 306.391 -0.057 30 20 DBED C[C@@H]1CCCN1CC(=O)N1CCC[C@@H](NCC(=O)NCC#N)C1 1209633791 XYNDFWWKVNBVBZ-ZIAGYGMSSA-N 321.425 -0.309 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)c2cnn(C)n2)C1 1210109263 ZLBRMBFGHKBYBI-LLVKDONJSA-N 306.370 -0.689 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)c2cccnn2)C1 1210274777 SOEQJIXUPOJHEZ-CHWSQXEVSA-N 315.377 -0.191 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 1211268266 HMDZGSCOYFYIOR-CQSZACIVSA-N 308.426 -0.343 30 20 DBED CO[C@@H]1CN(Cc2nc(O)n[nH]2)C[C@H]1NC(=O)C#CC(C)(C)C 1212254403 VSXZVSYFNSNJPC-GHMZBOCLSA-N 321.381 -0.125 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)C[C@H](C)NC(N)=O 1217894919 KQKOFSNSMKTLDP-RWMBFGLXSA-N 308.382 -0.632 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CNC(=O)c1ccoc1 1217976950 SKXIDWNFEXFXFR-UONOGXRCSA-N 317.345 -0.446 30 20 DBED CCO[C@@H](C(=O)N[C@@H]1CN(CC#CCOC)C[C@@H]1O)C(C)C 1219601507 FAGULLIGYSVETK-QLFBSQMISA-N 312.410 -0.141 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@H](C)NC(=O)C2CCCCC2)C1 1221058759 ZZSRLWYHSHPUSL-CFVMTHIKSA-N 321.421 -0.134 30 20 DBED COCC#CCN1CC[C@@H]2CCN(C(=O)Cn3cncn3)C[C@@H]21 1224087856 ULUIRYSCCGVBSL-CABCVRRESA-N 317.393 -0.149 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N1CCN(CC(C)C)C(=O)C1 1261154829 SRFVRDIRFMPWQH-LBPRGKRZSA-N 311.382 -0.370 30 20 DBED CN(C(=O)C(=O)N1CC[C@](O)(CC#N)C1)C1CCC(CO)CC1 1261484951 NULQVFKGDVSQLX-SEEARECTSA-N 323.393 -0.127 30 20 DBED C#CCN(C(=O)c1cc[nH]n1)C1CCN(C[C@H](O)COC)CC1 1278121939 RKYJFGYOMSOYJJ-AWEZNQCLSA-N 320.393 -0.043 30 20 DBED COC(=O)NCCCC(=O)NCCN/C(O)=C1/N=CC=CC1=O 1318390457 NSGJSRYKAOWVAJ-SEYXRHQNSA-N 324.337 -0.235 30 20 DBED C=CCN1CCC(NC(=O)C(=O)N[C@@H](C)C[S@@](C)=O)CC1 1322802331 IGIKVGKCMVCTTQ-WIUDPPPLSA-N 315.439 -0.364 30 20 DBED C#C[C@@H](NC(=O)C(=O)Nc1cnn(CC#N)c1)[C@H]1CCCO1 1324121351 OINXHCHMZFTLMM-VXGBXAGGSA-N 301.306 -0.358 30 20 DBED CC(C)C(=O)NCCNC(=O)C(=O)Nc1ccc(C#N)cn1 1324227195 DIHNCRYBQQJYBP-UHFFFAOYSA-N 303.322 -0.220 30 20 DBED COC(=O)[C@]1(C)CCN(C(=O)C(=O)N2CC[C@@](F)(C#N)C2)C1 1325375953 QABYHRJCONHRFQ-ZIAGYGMSSA-N 311.313 -0.138 30 20 DBED C=C[C@H](COC)NC(=O)[C@@H](C)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 1325638013 CQPKVZUAVUJOQD-GRRRKWKPSA-N 322.361 -0.146 30 20 DBED C#CCN1CCC[C@H](NC(=O)NC[C@H](O)Cn2ccnn2)C1 1330934106 IHCGQCGYMCJRBS-STQMWFEESA-N 306.370 -0.964 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CCC[C@@H](N)C2)C1=O 1333458038 ZDQSWEXRIRLXFX-AGIUHOORSA-N 322.409 -0.382 30 20 DBED C=CCn1c(C(N)=O)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1338748677 BNEPZSSWNBDTIB-NSHDSACASA-N 306.370 -0.132 30 20 DBED C=CCn1c([C@H](C)O)nnc1N1CCN(CCOC)C(=O)C1 1340435817 BXRPTTFYVCGQBM-NSHDSACASA-N 309.370 -0.188 30 20 DBED COC(=O)C1CCN(C(=O)C(=O)Nc2cnn(CC#N)c2)CC1 1340845304 WVLIJONOAOOEPP-UHFFFAOYSA-N 319.321 -0.243 30 20 DBED N#Cc1ccc(CS(=O)(=O)CC(=O)N[C@@H]2COC[C@@H]2O)cc1 1363407597 KMKPQGIBZRWGQK-OLZOCXBDSA-N 324.358 -0.651 30 20 DBED CNC(=O)NCC(=O)N[C@H](C)CNC(=O)c1ccc(C#N)[nH]1 1372847351 CSEPYKZUCZMAKP-MRVPVSSYSA-N 306.326 -0.950 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(Cc2ccc(C(N)=O)cc2)C1 1376143054 QVJGHCNZMJHXIK-NSHDSACASA-N 316.361 -0.392 30 20 DBED C[C@@H](C#N)C(=O)NCCN1CCN(C(=O)c2ccnnc2)CC1 1385569626 BNHXJZLUSLBJTH-LBPRGKRZSA-N 316.365 -0.490 30 20 DBED C[C@H](C#N)C(=O)N(C)CCN(C)C(=O)c1nccnc1C(N)=O 1389002621 XJIVTHOLSAAYJO-SECBINFHSA-N 318.337 -0.734 30 20 DBED Cn1ccc(C(=O)NC[C@H](O)CNC(=O)c2ccc(C#N)[nH]2)c1 1389083866 AESBMKOBVFRLGT-LBPRGKRZSA-N 315.333 -0.254 30 20 DBED C=C(Cl)CN1CCC[C@H]1CNC(=O)Cn1ncn(C)c1=O 1404000387 KOQFMVUDWVTJKZ-NSHDSACASA-N 313.789 -0.085 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1 1407225885 KIXUZMIUFYTKGO-UWVGGRQHSA-N 303.322 -0.398 30 20 DBED CC[C@H](CNC(=O)c1nc2ncccn2n1)NC(=O)[C@@H](C)C#N 1409412299 VHXIYCSPGNVUFN-VHSXEESVSA-N 315.337 -0.091 30 20 DBED Cc1cc(C(=O)NC[C@@]2(O)CCN(C(=O)[C@H](C)C#N)C2)n(C)n1 1411146460 KYOYWTIYEBKXCZ-BMIGLBTASA-N 319.365 -0.419 30 20 DBED N#CCCN(CCN1CCOCC1)C(=O)C[C@@H]1CCC(=O)NC1 1412469606 DZWNCINWJHNHJX-AWEZNQCLSA-N 322.409 -0.023 30 20 DBED N#Cc1cn(CCC(=O)N2CCC[C@H]2CCO)c(=O)nc1O 1413053316 ZJBFKSSAXFTSMV-NSHDSACASA-N 306.322 -0.416 30 20 DBED CCc1n[nH]cc1C(=O)N(C)C[C@H](O)CNC(=O)[C@@H](C)C#N 1413287961 FJUPGNAMVOIODO-VHSXEESVSA-N 307.354 -0.319 30 20 DBED Cn1cc(C(=O)NCC2(C#N)CCOCC2)c(=O)n(C)c1=O 1413785450 JJTOPFPBGMHJSK-UHFFFAOYSA-N 306.322 -0.866 30 20 DBED CCC(=O)NCC(=O)N[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 1414537188 OQPMIBLQYIWYSW-LLVKDONJSA-N 317.349 -0.257 30 20 DBED COCC(=O)N(C)CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)C#N 1416140323 RYTNVWJXTZXIIB-SRVKXCTJSA-N 322.365 -0.937 30 20 DBED CCC(=O)NCC(=O)NC[C@H](C)CNC(=O)c1ccc(C#N)[nH]1 1416450642 SCPPYXXMYWDTEW-JTQLQIEISA-N 319.365 -0.105 30 20 DBED C=C(Cl)CN1CCO[C@H](CNC(=O)CS(=O)(=O)CC)C1 1419581736 QELSCQBVALHUHR-LLVKDONJSA-N 324.830 -0.009 30 20 DBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC=C(N)N1 1419740611 YUQLSLRDZUWGII-VIFPVBQESA-N 321.362 -0.628 30 20 DBED CCCNC(=O)NC(=O)CN(CCNC(=O)[C@H](C)C#N)C1CC1 1420631871 IRLQUZMFZLQIKE-LLVKDONJSA-N 323.397 -0.038 30 20 DBED CC(=O)N1CC[C@](C)(C(=O)N(C)CCNC(=O)[C@@H](C)C#N)C1 1429454500 OQVDPXAJALHENG-NHYWBVRUSA-N 308.382 -0.021 30 20 DBED CC(C)c1ncncc1C(=O)NC[C@@H](O)CNC(=O)[C@H](C)C#N 1433301544 XVKXOQXMNGTHBN-MNOVXSKESA-N 319.365 -0.033 30 20 DBED COCC1(NC(=O)Cn2cc(C#N)c(O)nc2=O)CCCC1 1434173409 PJRLSNHQTVOTEM-UHFFFAOYSA-N 306.322 -0.104 30 20 DBED CCOCC(=O)N[C@H]1CCN(CC(=O)N(CC)CCC#N)C1 1438179029 BLGWTQUSIOQVJY-ZDUSSCGKSA-N 310.398 -0.024 30 20 DBED CC[C@H](CNC(=O)c1cc(C#N)c[nH]1)NCc1nnnn1C 1443905633 GWUVVEZXEFCDSL-SNVBAGLBSA-N 302.342 -0.292 30 20 DBED N#Cc1ncccc1S(=O)(=O)N1CC[C@H]2OCC(=O)N[C@@H]2C1 1475366780 MTVPYSRAQNKWPG-GHMZBOCLSA-N 322.346 -0.769 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC[C@@H]1CNCCS(C)(=O)=O 1499892541 VYXXRNZPFHQXEC-QWHCGFSZSA-N 316.423 -0.350 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1C[C@@H](NC(=O)[C@H]2CC(=O)N(C)C2)C1 1514932036 XEXBYMJRCBEYAA-WYUUTHIRSA-N 306.366 -0.365 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@](C)(NC(=O)Cn1ncnn1)C1CC1 1531724247 CDFCTTLAUFZWIA-TVQRCGJNSA-N 305.342 -0.766 30 20 DBED N#Cc1nc(NCC[C@@]2(O)CCCOC2)cnc1-c1nn[nH]n1 1570917668 CBVNKGVQBUBRFM-ZDUSSCGKSA-N 316.325 -0.128 30 20 DBED C#CCOCCC(=O)N1CC=C(CNC(=O)CNC(=O)O)CC1 1573310628 AJDUSMIIRUMBKO-UHFFFAOYSA-N 323.349 -0.431 30 20 DBED N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)[C@H](N)CO)CC1 1574241400 LRQUROGBRKBTSR-KGLIPLIRSA-N 306.341 -0.146 30 20 DBED O=C(C#CC1CC1)NC[C@H](CO)NC(=O)CCCc1cnn[nH]1 1577746008 PJPJYZVBQZKLFZ-CYBMUJFWSA-N 319.365 -0.866 30 20 DBED CS(=O)(=O)NC1CC(NC(=O)[C@@H](N)CCCCC#N)C1 1579344808 ZBASHWMNBOJMKU-ILDUYXDCSA-N 302.400 -0.406 30 20 DBED N#CC[C@@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)C(F)(F)F 1581857720 GSSGKJDCGTUTFH-RXMQYKEDSA-N 315.219 -0.581 30 20 DBED C[C@H](C(=O)NCc1ccc(-c2nn[nH]n2)cn1)n1cnc(C#N)n1 1588998746 UTNPJOQAIUHTPV-MRVPVSSYSA-N 324.308 -0.398 30 20 DBED O=C(C#CC1CC1)N1CCN(c2ccc(-c3nn[nH]n3)nn2)CC1 1592766545 NMHLOIQXHOBFAU-UHFFFAOYSA-N 324.348 -0.281 30 20 DBED N#CCCN(CCC#N)C(=O)Cn1nc(C(=O)O)ccc1=O 1601066759 ITTZYTDYZQBDRE-UHFFFAOYSA-N 303.278 -0.403 30 20 DBED N#CCCN(CCC#N)C(=O)CN1CCC[C@H](O)[C@@H]1C(=O)O 1601067208 SNAFHJNKDBXXMD-WCQYABFASA-N 308.338 -0.448 30 20 DBED N#CCN(CC(=O)O)S(=O)(=O)C[C@@]12CCCN(CC1)C2 1601072562 SAKUMZNUDNNNFY-LBPRGKRZSA-N 301.368 -0.288 30 20 DBED N#CCn1cc(NC(=O)C(=O)N2CC[C@](F)(C(=O)O)C2)cn1 1601079278 STEHDNRBHVNDJG-GFCCVEGCSA-N 309.257 -0.630 30 20 DBED C#CCN(CC(=O)O)S(=O)(=O)C[C@H](OC)[C@H]1CCOC1 1602699714 ZRXKRYPTQWGRRD-QWRGUYRKSA-N 305.352 -0.613 30 20 DBED C=CCCC[C@H](NS(=O)(=O)CCS(C)(=O)=O)C(=O)O 1602873651 ZHJKVSSZHVZFNM-VIFPVBQESA-N 313.397 -0.240 30 20 DBED O=C(COc1cccc(-c2nn[nH]n2)c1)N[C@@H]1CCN(O)C1=O 1606575330 ISJGWLACRJIHAI-SNVBAGLBSA-N 318.293 -0.648 30 20 DBED N#CC1(C(=O)O)CCN(C(=O)[C@@H]2CCc3nnc(O)n3C2)CC1 1608171803 RIHKXAYJAJLJPW-SECBINFHSA-N 319.321 -0.237 30 20 DBED N#Cc1c[nH]ccc1=NC(=O)CN1CCC[C@@H](C(=O)O)C1=O 1608223336 ZUMXZKCMHAPEIN-SNVBAGLBSA-N 302.290 -0.363 30 20 DBED C=CCCC(=O)N[C@H]1CCCN(CC(=O)N2CCNC(=O)C2)C1 1690033908 ORYHNSQDPZMGPS-ZDUSSCGKSA-N 322.409 -0.508 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)C2CS(=O)(=O)C2)C1 1690091721 DZNNHNLXKDNNMG-GFCCVEGCSA-N 302.396 -0.576 30 20 DBED C#CCN[C@H](C)[C@H]1CCCCN1C(=O)Cn1c(O)nnc1O 1752153946 APQICEULEAPMTR-GHMZBOCLSA-N 307.354 -0.318 30 20 DBED C[C@@H](CNC(=O)c1coc(C2CC2)n1)NCC(=O)NCC#N 1752903060 KYUBHCLMUDKESS-VIFPVBQESA-N 305.338 -0.100 30 20 DBED C=CCNC(=O)CN1CC(NC(=O)[C@@H]2CCCCN(C)C2=O)C1 1753391879 FTPMBJBVHRIVIF-ZDUSSCGKSA-N 322.409 -0.653 30 20 DBED C#CCNC(=O)[C@H](C)NC/C=C/CNC(=O)c1ccc(C#N)[nH]1 1754113382 XSLBKYNRDWJGCH-ITKZLYELSA-N 313.361 -0.100 30 20 DBED C=CCOCC(=O)N(C)C1CN(Cc2nnc3n2CCOC3)C1 1754572053 QPMFQCXDCMRSMQ-UHFFFAOYSA-N 321.381 -0.347 30 20 DBED COCC#CCNC[C@]1(C)CCN(C(=O)C(C)(C)C(N)=O)C1 1754699011 XNMUYARITUVQLG-INIZCTEOSA-N 309.410 -0.024 30 20 DBED N#CCN1CC[C@@](O)(CNC(=O)c2ccc(C(N)=O)cc2)C1 1754762392 ONYKAGNTXUQESS-OAHLLOKOSA-N 302.334 -0.524 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)Cn2ccc(C)cc2=O)CCO1 1755009997 WRXNCHNQHXMLML-OAHLLOKOSA-N 317.389 -0.003 30 20 DBED C=CCNC(=O)CN(C)CCCN(C)C(=O)[C@H]1COC(=O)N1 1755035852 GJSJXEMZWKODOT-LLVKDONJSA-N 312.370 -0.823 30 20 DBED C[C@@H]1C[C@@H](NC(=O)C#CC2CC2)CCN1Cc1nc(=O)n(C)[nH]1 1755161558 XQPNIYBNWLSXSJ-YPMHNXCESA-N 317.393 -0.009 30 20 DBED C=CCN(C)[C@H](C)CNC(=O)Cn1ncn2nccc2c1=O 1755318337 AHWVCZKOWBJXGI-LLVKDONJSA-N 304.354 -0.487 30 20 DBED CC(C)=CC(=O)N1CCO[C@H]([C@H](C)NCC(=O)NCC#N)C1 1755437475 DKEKHMNCONXHSO-STQMWFEESA-N 308.382 -0.202 30 20 DBED C#CCNC(=O)CNC[C@H]1C[C@H](NC(=O)c2nonc2C)C1 1755484409 SHZHNQZVCRZGFP-XYPYZODXSA-N 305.338 -0.775 30 20 DBED COCC#CCN[C@@H](C)CN(C)C(=O)[C@@H]1CCS(=O)(=O)C1 1755597231 KVTFONHIALDQIB-QWHCGFSZSA-N 316.423 -0.493 30 20 DBED C#CCCN(C)C[C@@H](O)CN(C)C(=O)c1ccnc(OC)n1 1755802635 FCZRNKJRTXTOOQ-GFCCVEGCSA-N 306.366 -0.127 30 20 DBED C#CCCCC(=O)N(C)C[C@@H]1CCCN1C(=O)[C@H]1CNC(=O)N1 1755926923 VEUZRWQEQUMMPT-QWHCGFSZSA-N 320.393 -0.079 30 20 DBED C=CCOCC(=O)N1CC([C@H](C)NC(=O)CCn2cnnn2)C1 1756167997 OWBGFQFXGGVELB-NSHDSACASA-N 322.369 -0.771 30 20 DBED CC(C)(C)C#CC(=O)NC[C@@H](CO)NC(=O)[C@@]12COC[C@@H]1C2 1756520063 UFELCCYRFYYWFP-MKBNYLNASA-N 308.378 -0.334 30 20 DBED C#Cc1cncc(C(=O)N[C@H](CO)CNC(=O)c2cc[nH]c2)c1 1756527167 CVULSADHQBMLED-AWEZNQCLSA-N 312.329 -0.088 30 20 DBED C#CCCCC(=O)NCC1=CCN(C(=O)Cn2ncnn2)CC1 1756766428 GXKBCBQVGPGMEB-UHFFFAOYSA-N 316.365 -0.249 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]nc2C)C1 1757021301 OBJHGRBRNLIXCE-VXGBXAGGSA-N 308.338 -0.778 30 20 DBED N#Cc1sccc1N1CCN(C(=O)Cn2ncnn2)CC1 1772451087 PDYRXTTUHVAWDN-UHFFFAOYSA-N 303.351 -0.045 30 20 DBED N#CCCC(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783561492 UIXBVDQQCUOOER-OAHLLOKOSA-N 319.317 -0.792 30 20 DBED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3CC(O)C3)[C@H]2C1 1784004032 XAWRPZQFENBIQC-ASUPZPJHSA-N 306.362 -0.630 30 20 DBED C[C@@H](NC=O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(C)(C)C#N 1847346324 IARZFIFEADJRFJ-WOPDTQHZSA-N 306.366 -0.128 30 20 DBED CCn1cc(C#N)c(=O)n(CC(=O)NC[C@H]2CCCO2)c1=O 21593047 LLDNICIALIEYFU-LLVKDONJSA-N 306.322 -0.803 30 20 DBED C#CCCN1CCN(C(=O)Cn2cc(C(=O)OC)nn2)CC1 81624110 KJNCEUMNZQKYEN-UHFFFAOYSA-N 305.338 -0.768 30 20 DBED N#Cc1ccc(S(=O)(=O)N2CCOC[C@H]2CC(=O)O)cn1 159694044 LGHHOTODJBGBOO-SNVBAGLBSA-N 311.319 -0.183 30 20 DBED N#Cc1ccc(S(=O)(=O)NC[C@H]2CN3CCN2CC3)cn1 179058387 RCHXUOMUJJFCAA-LBPRGKRZSA-N 307.379 -0.769 30 20 DBED C/N=C(\NCCNS(C)(=O)=O)N[C@@H]1C[C@@H](OC)C1(C)C 261761448 OHLLBUJANMDDBO-NXEZZACHSA-N 306.432 -0.486 30 20 DBED C=CC/N=C(/NCC(=O)N(C)C)N[C@@H]1CCc2nc(C)nn2C1 262258032 DFSGKFZOMKKUHR-GFCCVEGCSA-N 319.413 -0.289 30 20 DBED N#C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CCO1 264529560 ZNCATHQRFGXERE-SECBINFHSA-N 312.307 -0.029 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C)C2CCOCC2)C1=O 268506343 IYLCYDRJXSRWAI-SNVBAGLBSA-N 323.349 -0.106 30 20 DBED C=CCS(=O)(=O)CCNC(=O)[C@H]1CC(=O)N(CCOC)C1 272898712 UUSHKSJKTSBCFB-NSHDSACASA-N 318.395 -0.802 30 20 DBED C#CCN(C)C(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1 276724213 BPSLERUTARHWMF-CQSZACIVSA-N 307.394 -0.209 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)CCC(=O)N2CCOCC2)C1=O 281830423 WITDXKAGPKSDOQ-ZDUSSCGKSA-N 323.393 -0.129 30 20 DBED C[C@H](NS(=O)(=O)c1ccc(C#N)nc1)C(=O)NCCF 282359676 PRKRLAFYPRHSMG-QMMMGPOBSA-N 300.315 -0.294 30 20 DBED C=CCN(CC=C)C(=O)C(=O)NCCC(=O)N1CCN(C)CC1 284565960 MTZASPRKUAWAFM-UHFFFAOYSA-N 322.409 -0.533 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCCOCCCC)C1=O 298778585 MNZBJPHBPYOVCJ-UHFFFAOYSA-N 311.338 -0.104 30 20 DBED COC(=O)C[C@@H]1C(=O)NCCN1CC(=O)N[C@@](C)(C#N)C(C)C 299269249 IAUCUGKVTBCLCS-ABAIWWIYSA-N 324.381 -0.596 30 20 DBED COC[C@H](C)N/C(N)=N/CCNS(=O)(=O)c1ccccc1 303786846 RSADMCNTDQSDMC-NSHDSACASA-N 314.411 -0.096 30 20 DBED CC(C)(C)N/C(N)=N/CCNS(=O)(=O)Cc1ccon1 304808795 UXFQHIGYSASYHH-UHFFFAOYSA-N 303.388 -0.203 30 20 DBED N#Cc1cncc(S(=O)(=O)NC[C@@H]2CCS(=O)(=O)C2)c1 312798853 APTCVDAVDQCUID-VIFPVBQESA-N 315.376 -0.334 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)NC[C@H](C)CN1CCOCC1 330384425 KMCUZBCXSBQDER-OLZOCXBDSA-N 318.443 -0.119 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@H]2CC(=O)N[C@@H](C)C2)CC1 330875253 WBGOMVNBSJLCRU-QWHCGFSZSA-N 322.409 -0.653 30 20 DBED CC[C@@]1(CO)CCCN(/C(O)=N/CCNS(C)(=O)=O)C1 331186965 NYWADHJSNSHCPQ-GFCCVEGCSA-N 307.416 -0.066 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N(CCOC)[C@H](C)C(N)=O 337089350 ILIVVUBTMWIXAK-GHMZBOCLSA-N 320.415 -0.465 30 20 DBED N#Cc1ccc(S(=O)(=O)CCN2CCc3nn[nH]c3C2)nc1 343827878 RAUXFMUFKSWYCC-UHFFFAOYSA-N 318.362 -0.097 30 20 DBED N#CC1(C(=O)NCCOCCS(N)(=O)=O)CCCCC1 353256343 QPBBZOVLOKNMKU-UHFFFAOYSA-N 303.384 -0.118 30 20 DBED C=CCCN(C)C(=O)C(=O)NCCNC(=O)c1cnccn1 358349110 DHSZYDONTLGGOY-UHFFFAOYSA-N 305.338 -0.643 30 20 DBED N#Cc1cccc(C(=O)N2CCS(=O)(=O)[C@@H](C(=O)O)C2)c1 424238450 INROGOUXIQZWAJ-LLVKDONJSA-N 308.315 -0.118 30 20 DBED C=CCCO[C@@H](C)C(=O)N1CCS(=O)(=O)[C@H](C(=O)O)C1 424238991 JEMJLPPWNRBGIZ-UWVGGRQHSA-N 305.352 -0.322 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@H](C)N[C@@H](C)C2)C1=O 429396534 BTQRLHBRGWFJEC-UWVGGRQHSA-N 308.338 -0.828 30 20 DBED CO[C@@H]1COC[C@@H]1NC(=O)CNC(=O)c1ccc(C#N)cc1 458339252 CKQSZWJXMXURKC-QWHCGFSZSA-N 303.318 -0.182 30 20 DBED COC(=O)[C@@H](O)CNS(=O)(=O)c1ccc(C#N)c(F)c1 489681489 PFJAGHDESFGXNN-JTQLQIEISA-N 302.283 -0.490 30 20 DBED C#CCN(C)CCCNC(=O)N1CCC[C@@H](C(=O)NCCN)C1 491388054 ZWELOJODJLEFPI-CQSZACIVSA-N 323.441 -0.562 30 20 DBED CNc1nccc(C(=O)N2CC[C@@](O)(CC#N)C2)c1[N+](=O)[O-] 594373764 GBJBPYINILNRMC-ZDUSSCGKSA-N 305.294 0.522 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N[C@@H]1CCS(=O)(=O)[C@@H]1C 599458737 VPKNJJIZDJWPRH-IVZWLZJFSA-N 309.413 -0.370 30 20 DBED Cc1cc(C#N)cc(NC(=O)C(=O)NCCN2CC[C@@H](O)C2)c1 600069962 AEFVIBFGCCKVLN-CQSZACIVSA-N 316.361 -0.012 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N[C@@H]2CCN(CC3CC3)C2)CCO1 619709623 SFEKBJLAAMOGHB-CHWSQXEVSA-N 314.411 -0.471 30 20 DBED C=C(C)CN1CCC(NC(=O)c2cn(C)c(=O)n(C)c2=O)CC1 735045108 BPYSTCCCNQYJAU-UHFFFAOYSA-N 320.393 -0.146 30 20 DBED C#CCOc1ccc(NC(=O)C(=O)N2CC(C(=O)NC)C2)cc1 768341570 BJSBDHMAFPUAAK-UHFFFAOYSA-N 315.329 -0.159 30 20 DBED C#C[C@H](NCCNS(=O)(=O)CCCOC)[C@H]1CCCO1 775801218 WUGCWPFIAHZOJS-QWHCGFSZSA-N 304.412 -0.287 30 20 DBED C#C[C@@H](NC(=O)C1(S(C)(=O)=O)CCOCC1)[C@H]1CCCO1 816177210 UVLPNGUUYUIKPO-VXGBXAGGSA-N 315.391 -0.123 30 20 DBED C[C@@](C#N)(CC(=O)O)C(=O)NCCCN1CCC[C@@H](C(N)=O)C1 819834013 LMKKORBLDITIFK-ABAIWWIYSA-N 324.381 -0.305 30 20 DBED C#CCNC(=O)C1CCN(C(=O)NC2CN(C(=O)O)C2)CC1 823456453 MQFJFBGRPVUKCL-UHFFFAOYSA-N 308.338 -0.480 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2cnc3n2CCC3)CC1 825968093 PSJVKTYNNPJVIU-UHFFFAOYSA-N 315.377 -0.664 30 20 DBED C#CCCN(CCOC)C(=O)C1=C(C)N(C)c2nnnn2C1 856389828 DOGNMIZJRSCMPI-UHFFFAOYSA-N 304.354 -0.105 30 20 DBED CN1C(=O)CN(CC(=O)[C@@H](C#N)C(=O)NC2CCCC2)C1=O 860478000 NUCOJPVBRXBLSE-SNVBAGLBSA-N 306.322 -0.352 30 20 DBED C#CCNC(=O)C1CCN(CN2CC3(COC3)CC2=O)CC1 872573605 GSIPGLURXAZEFJ-UHFFFAOYSA-N 305.378 -0.346 30 20 DBED C#CCN1CCC[C@@H](NS(=O)(=O)c2cc(C(N)=O)n(C)c2)C1 885514142 QRUHUDKXUGTRJA-LLVKDONJSA-N 324.406 -0.500 30 20 DBED C#CCSCC(=O)N(C)CC(=O)N[C@H]1CCS(=O)(=O)C1 895721735 IGLCGLGKVQRYLJ-JTQLQIEISA-N 318.420 -0.886 30 20 DBED CN1CCO[C@H](C(=O)N(C)[C@H]2CCN(C(=O)C#CC3CC3)C2)C1 937346618 AFJQXUKFTGTHOY-GJZGRUSLSA-N 319.405 -0.210 30 20 DBED CO[C@@H](C)C(=O)N1CCO[C@@H](CNC(=O)c2c[nH]c(C#N)c2)C1 944560842 RSOGKLBIWQODHD-GWCFXTLKSA-N 320.349 -0.122 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@H](CNC(=O)c2ncccn2)C1 944739336 DEWIKNCGEOZDPN-GHMZBOCLSA-N 303.322 -0.407 30 20 DBED C=C1CC(C)(C(=O)N2CC[C@@H]2CNC(=O)c2nnn(C)n2)C1 951622580 FUPDMEGKHSHWDN-SNVBAGLBSA-N 304.354 -0.103 30 20 DBED CN1CC[C@H](C(=O)NC[C@H]2CCN2C(=O)C#CC2CC2)C1=O 951654334 ATEJLXRSSKOXKX-CHWSQXEVSA-N 303.362 -0.405 30 20 DBED C=C1CC(C)(C(=O)N2CC(N(C)C(=O)[C@@H]3CNC(=O)N3)C2)C1 955151638 NWSSEEDBIVNUPQ-NSHDSACASA-N 306.366 -0.307 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2cnc3n2CCOC3)C1 958151506 JKLUZFRXJBSYHN-DGCLKSJQSA-N 304.350 -0.931 30 20 DBED C#CCCN1C[C@@H](O)[C@H](CNC(=O)c2cnc3nccn3c2)C1 958254969 UABWEUWCGANNOB-TZMCWYRMSA-N 313.361 -0.225 30 20 DBED Cn1nnc2cccc(C(=O)NC[C@@H]3CN(CC#N)C[C@@H]3O)c21 958764080 YTHHXKXTZIYJGA-MFKMUULPSA-N 314.349 -0.486 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cc2cccnc2)C1 958824090 IIRONYOFJOXQFX-XBFCOCLRSA-N 316.361 -0.186 30 20 DBED COc1nc(C(=O)N(C)[C@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)co1 958898415 FJUSIOAZMHSTNV-LSJOCFKGSA-N 322.321 -0.513 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2ccnnc2)C1 958975828 BOQPOVAEBLFCNZ-DLOVCJGASA-N 303.322 -0.720 30 20 DBED C#CCCN1C[C@H]2[C@H](NC(=O)c3cc(C(N)=O)cn3C)[C@H]2C1 960826655 MMCSUKSRPYEJRE-IMRBUKKESA-N 300.362 -0.193 30 20 DBED Cc1noc(C)c1C(=O)N[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1O 961478009 RKMZDXUMRLRCRX-ONOSFVFSSA-N 306.322 -0.247 30 20 DBED C=C(C)CN1C[C@H]2[C@H](NC(=O)[C@@H]3CN(C(C)=O)CCO3)[C@H]2C1 962438032 MTVQFPJBHOPBKI-LJISPDSOSA-N 307.394 -0.144 30 20 DBED C=C(C)CN1C[C@H]2C(NC(=O)[C@H]3CN(C(C)=O)CCO3)[C@@H]2C1 962438040 MTVQFPJBHOPBKI-MGPQQGTHSA-N 307.394 -0.144 30 20 DBED CCn1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)n1 963013941 YYZIULFKRTXLAE-WCQGTBRESA-N 305.338 -0.636 30 20 DBED N#CCNC1CC2(C1)CC(NC(=O)CC1CS(=O)(=O)C1)C2 964088075 FSRCHSGWRZTCOI-UHFFFAOYSA-N 311.407 -0.038 30 20 DBED Cn1nnc(C(=O)N[C@H]2CCCN(C(=O)C#CC3CC3)CC2)n1 965107422 VSVUEOYOGCKGJD-LBPRGKRZSA-N 316.365 -0.266 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CN(C(=O)c3cnnn3C)CCO2)C1 965373829 MCYQYBPLQSTCQJ-SNVBAGLBSA-N 318.337 -0.972 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(C[C@@H](NC(=O)c3ncccn3)CO2)C1 965792930 OXIVMSNTJJWILB-WDEREUQCSA-N 315.333 -0.264 30 20 DBED CCN1CCO[C@@H](C(=O)N(CC)C2CN(C(=O)[C@H](C)C#N)C2)C1 968018221 ZGHIHJPJRMVCOA-TZMCWYRMSA-N 322.409 -0.074 30 20 DBED C[C@@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)c1cnnn1C)C2 969804728 GGHJHNDXOWIYJS-DCAQKATOSA-N 302.338 -0.210 30 20 DBED C#CCN1C[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C(C)(C)C1 975113886 MVBVRHRUVVBIMG-GFCCVEGCSA-N 318.377 -0.843 30 20 DBED CNC(=O)[C@@H](C)N1C[C@H]2[C@H](CNC(=O)c3cc(C#N)c[nH]3)[C@H]2C1 977974472 ITSUDURWSVYCSF-JHEVNIALSA-N 315.377 -0.072 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@@H]1CN(C)C(=O)[C@@H]1CNC(=O)N1 978287522 FOFCUWWKRJVBDN-MNOVXSKESA-N 308.382 -0.061 30 20 DBED COCCn1ccc(C(=O)NCC2[C@H]3CN(CC#N)C[C@H]23)n1 978489436 SGXYKRUWOXUWKX-CHWSQXEVSA-N 303.366 -0.039 30 20 DBED C=CCN1C[C@H]2[C@H](CNC(=O)[C@@H]3CN(C(C)=O)CCO3)[C@H]2C1 979017608 UMXAENRHHJRJFD-XQLPTFJDSA-N 307.394 -0.286 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2nc[nH]n2)C1 983320982 QZKGVOSVFMQKSX-TUAOUCFPSA-N 319.365 -0.026 30 20 DBED C[C@@H]1C[C@@H](NCC#N)CN1C(=O)C1CC2(C1)CS(=O)(=O)C2 989047044 RCHUAHNNOOADEB-ZYHUDNBSSA-N 311.407 -0.086 30 20 DBED C=CCn1cc(C(=O)N2C[C@H](NCC(N)=O)C(C)(C)C2)nn1 996389084 MLFUMCLYUWJJOM-NSHDSACASA-N 306.370 -0.610 30 20 DBED CC#CCN1CCC([C@H](C)NC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 997779072 ITBSNEUXQMUYGT-AAEUAGOBSA-N 320.393 -0.176 30 20 DBED CN1CC[C@@H](C(=O)NC2CN(C(=O)c3ccc(C#N)[nH]3)C2)C1=O 997917283 PURMDHWWDVKQGL-NSHDSACASA-N 315.333 -0.695 30 20 DBED CCN(C(=O)[C@@H]1CC(=O)NC(=O)N1)[C@@H]1CCCN(CC#N)CC1 998137400 ZBBYTWBITHXTQQ-NEPJUHHUSA-N 321.381 -0.189 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)c2nnn(C)c2C)C1 1000004216 GEDHRAVDZGBOMJ-NEPJUHHUSA-N 319.365 -0.345 30 20 DBED C=CCn1cc(C(=O)N2CCC[C@H](N[C@H]3CCNC3=O)C2)nn1 1000401421 CYHBMKNPNVQONY-RYUDHWBXSA-N 318.381 -0.453 30 20 DBED C=CCN1CC[C@@H](N2CCC(NC(=O)c3cnn[nH]3)CC2)C1=O 1003231460 OKAZUFGXKBOECT-CYBMUJFWSA-N 318.381 -0.214 30 20 DBED N#Cc1ccc(C(=O)N2CC(CNC(=O)[C@@H]3[C@H]4COC[C@H]43)C2)[nH]1 1003725832 LSWVPWRSEONMCR-IMRBUKKESA-N 314.345 -0.033 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C(=O)[C@@H](C)S(C)(=O)=O)CC1 1011412706 VGLOTAJGFDZWQJ-NXEZZACHSA-N 301.368 -0.750 30 20 DBED CN1CCOC[C@@H]1C(=O)NC1[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]12 1012980769 OASVQURMTJSUQY-MGPQQGTHSA-N 317.389 -0.697 30 20 DBED C=C(Cl)CN1CC[C@@H](NC(=O)CN2CCOCC2=O)C1 1014738233 VFXUNEDIQXYGGZ-LLVKDONJSA-N 301.774 -0.212 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(CC(=O)N2CCC2)C1 1014768953 GRTFKLRGVCEMMM-GJZGRUSLSA-N 318.421 -0.493 30 20 DBED C#CCN(C)[C@H]1CCCN(C(=O)CN2CCN(C)C(=O)C2)C1 1027471669 UWOZVPCQHTYABC-AWEZNQCLSA-N 306.410 -0.684 30 20 DBED C#Cc1ccc(C(=O)NC2CN(Cc3nnnn3C3CC3)C2)cn1 1031277638 LFEWKZCPTJKCJI-UHFFFAOYSA-N 323.360 -0.002 30 20 DBED CS(=O)(=O)CCN1CC(CNC(=O)c2ccc(C#N)[nH]2)C1 1031620778 OOLCRFLZQXNCDJ-UHFFFAOYSA-N 310.379 -0.407 30 20 DBED C=C(C)CCN1CC(CNC(=O)c2cn(CC(N)=O)nn2)C1 1032206225 VJWUFMPTXDXBRK-UHFFFAOYSA-N 306.370 -0.609 30 20 DBED C#CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCc2nnc(O)n2C1 1032485091 ZJXUJIAXIRLYMR-SRVKXCTJSA-N 301.350 -0.536 30 20 DBED C=C(Cl)CN1CC[C@@H](N(C)C(=O)Cn2c(O)nnc2O)C1 1033617786 ZJHMJUKHFARTOJ-SECBINFHSA-N 315.761 -0.026 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2CCN2CCS(C)(=O)=O)nc1 1038943431 QWDTZEQGCPKCDI-ZDUSSCGKSA-N 321.402 -0.088 30 20 DBED C=C(C)CCC(=O)NC[C@]1(O)CCN(C(=O)[C@H]2CCNC2=O)C1 1040047957 OXPKFEJDCIWZFM-BLLLJJGKSA-N 323.393 -0.442 30 20 DBED CCCN(C)CCC(=O)N1CC[C@](O)(CNC(=O)[C@@H](C)C#N)C1 1040759103 DXEGAXYVGNIRPF-BBRMVZONSA-N 324.425 -0.042 30 20 DBED CC(C)(C)C#CC(=O)N1CC(O)(CNC(=O)c2cnccn2)C1 1041257777 IMZOEFPNCBEUNJ-UHFFFAOYSA-N 316.361 -0.171 30 20 DBED C=CCN1CC[C@@H](N2CC[C@@]3(CCN(C(=O)C(N)=O)C3)C2)C1=O 1041621633 DTNPFQJHHLDTLZ-MLGOLLRUSA-N 320.393 -0.817 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)CCc2cnc[nH]2)C1 1042043739 SEFWAJWLHFLXTO-UHFFFAOYSA-N 322.365 -0.766 30 20 DBED CC#CCN1CC[C@@H]2CCN(C(=O)Cn3ncn(C)c3=O)C[C@H]21 1042122187 NAQJTYOYJHRWRB-ZIAGYGMSSA-N 317.393 -0.472 30 20 DBED Cn1c(O)ncc(C(=O)N2CC[C@H]3CCN(CC#N)[C@@H]3C2)c1=O 1042183726 QUPPHDFDKXVYKC-ZYHUDNBSSA-N 317.349 -0.454 30 20 DBED C#CCCCCC(=O)NCC1(O)CN(C(=O)CNC(=O)CC)C1 1042659053 YFIXMYIDCXOKQR-UHFFFAOYSA-N 323.393 -0.604 30 20 DBED CCc1nc(C(=O)NCC2(O)CN(C(=O)[C@H](C)C#N)C2)co1 1042694314 CKHUWWXUUUIJHM-SECBINFHSA-N 306.322 -0.300 30 20 DBED CO[C@H](C(=O)N1CC(O)(CNC(=O)C#CC(C)C)C1)C1CC1 1042936773 PNKRSKSNRNNOOA-AWEZNQCLSA-N 308.378 -0.240 30 20 DBED C=C[C@@H](CC)CC(=O)N1CC(O)(CNC(=O)c2cnn[nH]2)C1 1043816716 QEHURZXBMHFFDS-JTQLQIEISA-N 307.354 -0.290 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)COCC(F)F)C1 1043960517 BANDSTUEFRAAQE-MRVPVSSYSA-N 305.281 -0.883 30 20 DBED C=CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)c2[nH]nnc2C)C1 1044375119 OMNUZCKYPXTOPC-SNVBAGLBSA-N 323.353 -0.993 30 20 DBED Cc1cc(C#N)nc(N2C[C@H](O)[C@H](NC(=O)[C@H]3C[C@@H]3C)C2)n1 1044394156 LHQZOBRZYBTGPK-KNDHEWATSA-N 301.350 -0.022 30 20 DBED CC#CCCCC(=O)NCC1(O)CN(C(=O)[C@H](O)C(C)C)C1 1044993942 HSYKZBLNRZIFEP-CQSZACIVSA-N 310.394 -0.114 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)Cc2ccc(O)nc2)C1 1045560112 SILUHKNZOJUGIE-SNVBAGLBSA-N 318.333 -0.821 30 20 DBED C#CCN1[C@H]2CC[C@H]1CN(C(=O)Cn1c(O)nnc1O)CC2 1045883543 NORCFMKGJQMJRB-QWRGUYRKSA-N 305.338 -0.612 30 20 DBED C#CCCN1CC[C@H](N2CCN(C(=O)[C@@H]3COCCO3)CC2)C1 1046009512 UUAJCRILQIMWFX-HOTGVXAUSA-N 321.421 -0.356 30 20 DBED Cc1cc(O)ncc1C(=O)NCC1(O)CN(C(=O)[C@@H](C)C#N)C1 1046370733 DNSDMMXDEAQKCJ-JTQLQIEISA-N 318.333 -0.442 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cn[nH]c2)C1 1048350475 TXDWTAHNTAMDGQ-DRZSPHRISA-N 320.349 -0.908 30 20 DBED C=CCCC(=O)N(C)[C@H]1CN(C(=O)[C@H]2CCNC2=O)C[C@@H]1O 1048540306 SLSLFPUCQPYQKJ-SRVKXCTJSA-N 309.366 -0.881 30 20 DBED Cc1cc(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)C#N)C2)ncn1 1049388606 NJMQRYJMHAENPL-XDTLVQLUSA-N 317.349 -0.412 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)Cc2cnn(C)c2)C[C@@H]1O 1049389105 TWLKWRWUHDVFIK-WXHSDQCUSA-N 319.365 -0.848 30 20 DBED N#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)CN1CCC(=O)NC1=O 1049830057 DQUUHCDMMNPHRH-RYUDHWBXSA-N 319.365 -0.483 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2COCCN2CCCO)nn1 1051156629 VQVTWZPREYPQST-GFCCVEGCSA-N 309.370 -0.723 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)C1CCN(C(N)=O)CC1 1051238180 HKUWCSXKUKKSRU-CYBMUJFWSA-N 308.382 -0.773 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)[C@@H](C)S(C)(=O)=O)CCO2 1053309359 FMLFPTMOTXGZLD-GFCCVEGCSA-N 314.407 -0.644 30 20 DBED C=CCOCC(=O)N1[C@H]2CC[C@@H]1C[C@H](CNC(=O)CC(N)=O)C2 1053668333 GXKFJFSSIGXUQS-CLLJXQQHSA-N 323.393 -0.050 30 20 DBED C=C(C)CN1CC2(C[C@@H](NC(=O)[C@@H]3CN(C)CCO3)CO2)C1 1053765994 CAVNXYKIMPFJFP-KGLIPLIRSA-N 309.410 -0.147 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)[C@@H]3CCCNC3=O)CO2)C1 1053836182 UGMGNELINNECOG-CHWSQXEVSA-N 305.378 -0.505 30 20 DBED C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1NCc1nc(O)n[nH]1 1054535806 YKOXZXKAQOFCLX-KCJUWKMLSA-N 315.337 -0.040 30 20 DBED Cc1nc(CC(=O)N[C@H]2[C@@H]3CN(c4nccnc4C#N)C[C@@H]32)n[nH]1 1056203525 NWUCYQUPOLJOQE-MSRIBSCDSA-N 324.348 -0.432 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)c1cnn(C)c1 1056934291 IVPGPAPOMJBKJR-UHFFFAOYSA-N 310.354 -0.827 30 20 DBED N#Cc1c[nH]c(C(=O)N(CCO)CCNC(=O)[C@H]2CCOC2)c1 1057292009 ZKFVKLCCFZCHMT-LBPRGKRZSA-N 320.349 -0.526 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)c1nn(C)cc1C 1057545651 JHMBQDZKHVZOEK-UHFFFAOYSA-N 324.381 -0.518 30 20 DBED Cn1cc(C(=O)N[C@@H]2CCCN(c3ccnc(C#N)n3)C2)nn1 1058155659 MUDCRXJWOAWYTH-SNVBAGLBSA-N 312.337 -0.124 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)c1cccnn1 1058529733 RXZUAOIOGNYXGA-UHFFFAOYSA-N 304.350 -0.169 30 20 DBED Cc1cc(C#N)nc(N2CCC3(CC2)C[C@@H]3NC(=O)C(N)=O)n1 1058645291 BTQGVVGEQYOQML-NSHDSACASA-N 314.349 -0.383 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)CCc1cnccn1 1058819016 QTCMVSZILYGFRJ-GFCCVEGCSA-N 319.365 -0.494 30 20 DBED N#Cc1ccc(N2CCC[C@H]2CNC(=O)[C@H]2CNC(=O)N2)nn1 1061441030 NDMXEKLHPPKAMW-WDEREUQCSA-N 315.337 -0.885 30 20 DBED O=C(C#CC1CC1)NC[C@H]1COCCN1C(=O)c1ccnnc1 1061571921 JTSJXYUGIJBYIA-AWEZNQCLSA-N 314.345 -0.153 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)Cn1ccnc1 1061850804 CFPBBSDKXBETCU-VXGBXAGGSA-N 305.338 -0.614 30 20 DBED C=CCOCC(=O)NCC1(NC(=O)CNC(=O)CC)CCC1 1062702301 LRKVTAQRRLGRSL-UHFFFAOYSA-N 311.382 -0.130 30 20 DBED N#Cc1cnccc1N1CCO[C@@H](CNC(=O)c2cnon2)C1 1063639380 PNXOEVOCBJBWOW-NSHDSACASA-N 314.305 -0.029 30 20 DBED Cc1nn[nH]c1C(=O)N[C@@H]1[C@H]2C[C@H]1N(c1ccc(C#N)nn1)C2 1064324796 OVIRVHTZBQLPRA-IYYTYJHQSA-N 310.321 -0.218 30 20 DBED CC[C@H]1CN(C(=O)CC(N)=O)CC[C@@H]1N=c1cc[nH]c(C#N)n1 1064384311 IPOVTBJHVLJPRH-QWRGUYRKSA-N 316.365 -0.315 30 20 DBED CC[C@@H]1CN(C(=O)C(N)=O)CC[C@@H]1Nc1cnc(C#N)cn1 1064413582 XNEGFUQAISCZLG-KOLCDFICSA-N 302.338 -0.127 30 20 DBED C#CCCCCC(=O)N1CCO[C@H](CNC(=O)CC(=O)NC)C1 1065061585 SSFNLCHVJVJELR-CYBMUJFWSA-N 323.393 -0.340 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCO[C@@H](CNC(=O)c2ccon2)C1 1065096329 DBAACRJNSPNIBS-NHYWBVRUSA-N 323.349 -0.041 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCO[C@H](CNC(=O)CCOC)C1 1065155557 YJXBDPRYQRQHQD-QWHCGFSZSA-N 312.366 -0.595 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2cncn2C)CCO1 1065313342 KLFQWMCYZDPGCC-LBPRGKRZSA-N 322.365 -0.420 30 20 DBED CCc1nc(C#N)cc(N2C[C@H]3CC[C@H]2CN3C(=O)C(N)=O)n1 1068061607 NWVPBENRZNFIGT-WDEREUQCSA-N 314.349 -0.424 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC2(C[C@@H](NC(=O)CCOC)CO2)C1 1068648069 JIUOGSBVMHEXEU-QWHCGFSZSA-N 324.377 -0.453 30 20 DBED C=CCCC(=O)N1CC2(C[C@@H](NC(=O)[C@@H]3COCCO3)CO2)C1 1068712970 GBYIBTPNTFYAKD-OLZOCXBDSA-N 324.377 -0.146 30 20 DBED CC(C)N(C)CC(=O)N1CC2(C[C@H](NC(=O)[C@@H](C)C#N)CO2)C1 1069003338 LTGMOPCAHWMCEI-STQMWFEESA-N 322.409 -0.028 30 20 DBED Cc1ccc(C(=O)N2C[C@H](n3ccnn3)[C@H](NCC#N)C2)nn1 1070193706 MVCBWBOOCJVBGD-OLZOCXBDSA-N 312.337 -0.445 30 20 DBED N#Cc1ccc(C(=O)N2CCC(=O)NCCN(CCO)CC2)[nH]1 1070956369 MTWCQZOGNOPLCZ-UHFFFAOYSA-N 319.365 -0.857 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H](NC(=O)C(=O)NCC(F)F)C1 1071229536 SNSKDNFFMQTYGD-DTWKUNHWSA-N 316.308 -0.365 30 20 DBED N#CCN1CCN([C@H]2CCCN(C(=O)c3cnon3)C2)C(=O)C1 1071275789 PKDBHFPDQLUNSF-NSHDSACASA-N 318.337 -0.658 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CN(C(=O)C2CCC2)C[C@H]1C 1071437218 RNPHRGWQBZMFMY-YPMHNXCESA-N 305.378 -0.111 30 20 DBED C=CCCC(=O)N1C[C@@H](NC(=O)CN2C(=O)CNC2=O)[C@H](C)C1 1071785995 XTNBHJILHHPEJV-GHMZBOCLSA-N 322.365 -0.533 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](NC(=O)COCCC)[C@H](C)C1 1071936467 PVSZAHOWMLNOJU-CHWSQXEVSA-N 323.393 -0.484 30 20 DBED C#CCCCC(=O)N1C[C@H](C)[C@@H](NC(=O)CS(C)(=O)=O)C1 1072000245 TXTLQDJWJWORFO-RYUDHWBXSA-N 314.407 -0.202 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(C(=O)C#CC(C)C)C[C@@H]1C 1072035457 LVZOEKXUSQBLCE-UONOGXRCSA-N 317.389 -0.252 30 20 DBED COC(=O)NCC(=O)N[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1C 1072050248 ZVCGEMAMTNBXTE-JQWIXIFHSA-N 307.350 -0.281 30 20 DBED C=CCOCC(=O)N1CC(N2CCN(C(=O)COC)CC2)C1 1073525288 RKNHOMBJXHVWIR-UHFFFAOYSA-N 311.382 -0.810 30 20 DBED C=CCCC(=O)N1CC[C@H](NC(=O)Cn2cnnn2)[C@@H](C)C1 1073692772 QTXHMQVFNUVLQN-RYUDHWBXSA-N 306.370 -0.008 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)COc3cnn(C)c3)C[C@H]21 1074321524 LQXINSCTKLPRBD-CABCVRRESA-N 318.377 -0.266 30 20 DBED C#CCO[C@@H](C)C(=O)NCC[C@H](C)NC(=O)Cc1n[nH]c(C)n1 1076507284 AXEHUOXUDKHPEK-QWRGUYRKSA-N 321.381 -0.295 30 20 DBED C=CCCOCC(=O)NCC[C@H](C)NC(=O)Cc1nc[nH]n1 1077064256 YGYGBTYHFMXDQT-NSHDSACASA-N 309.370 -0.049 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCN2c2ncccn2)C1 1077164407 MSUQQPKXARVAMV-MGPQQGTHSA-N 315.377 -0.760 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2ccc3c(O)nccc3n2)C1 1077255704 MZOKWRYFYUIKOD-CHWSQXEVSA-N 313.317 -0.366 30 20 DBED C#Cc1ccc(C(=O)NCC[C@H](C)NC(=O)CNC(N)=O)nc1 1077630473 NOTXPFVQOOIVTJ-JTQLQIEISA-N 317.349 -0.644 30 20 DBED Cn1c(O)ncc(C(=O)N2C[C@H]3CC[C@H]2[C@H](NCC#N)C3)c1=O 1079013192 UUKOUXVIQBKQGU-WCQGTBRESA-N 317.349 -0.408 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCC[C@H](N(C)C(=O)C(N)=O)CC1 1079052521 PJOOVIHFLNMSOF-XHDPSFHLSA-N 311.382 -0.362 30 20 DBED CCN(C(=O)c1nnn(C)n1)C1CN(C(=O)CSCC#N)C1 1080271790 WALBMLOAYAMQQM-UHFFFAOYSA-N 323.382 -0.860 30 20 DBED C=CCCC(=O)NC1(CO)CCN(C(=O)CNC(N)=O)CC1 1080769573 ZMSMJGJJFGLREO-UHFFFAOYSA-N 312.370 -0.909 30 20 DBED C=CCOCC(=O)NC1(CO)CCN(C(=O)CCOC)CC1 1080773539 RWXBIIVQTHHXAC-UHFFFAOYSA-N 314.382 -0.305 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)Cc2nnc(C)o2)C[C@@H]1O 1081335471 LSGADPOVBQMJHM-NEPJUHHUSA-N 322.365 -0.178 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)Cc2cc[nH]n2)C[C@H]1O 1081442921 ZUVQHJNITUFOFY-TZMCWYRMSA-N 318.377 -0.309 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)c2ccnnc2)C[C@H]1O 1081445485 WLDGDBMUXVAKEN-UONOGXRCSA-N 316.361 -0.171 30 20 DBED C#CCCN1C[C@@H](NC(=O)c2cccn3nnnc23)[C@H](OC)C1 1081734145 MVCLPYGUYJZCQJ-CHWSQXEVSA-N 314.349 -0.423 30 20 DBED C=CCN1C[C@@H](NC(=O)c2cc(C(N)=O)cn2C)[C@H](OC)C1 1081897265 PWSYZWLYGXAJFQ-DGCLKSJQSA-N 306.366 -0.261 30 20 DBED C=C(C)CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)Cn1ncnn1 1083083469 WOTDOPHQWBFIPJ-QWHCGFSZSA-N 306.370 -0.449 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cc2n(n1)CCCO2 1083139655 NAUJDXLDVNUVFL-QWHCGFSZSA-N 317.349 -0.286 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)c2nc3ncc(C)cn3n2)C1 1083554807 WYFSJAARONCNEO-NEPJUHHUSA-N 314.349 -0.769 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)Cn2c(C)csc2=O)C1 1084048622 CEYGVGLHDSVIPW-NEPJUHHUSA-N 309.391 -0.597 30 20 DBED C#CCN[C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1c1cnn(C)c1 1086981439 JEGZGCYIQOOOCG-UONOGXRCSA-N 313.365 -0.771 30 20 DBED C#CCN1CC[C@H](NC(=O)[C@H]2CCc3nnc(O)n3C2)[C@H]1C 1088676456 GPDKSIRMRZKHGZ-WOPDTQHZSA-N 303.366 -0.242 30 20 DBED C=C(Cl)CN1CC[C@H](NC(=O)C2CN(C(C)=O)C2)[C@H](O)C1 1090214087 UMWVFVVWRAMKLS-QWHCGFSZSA-N 315.801 -0.231 30 20 DBED C=CCCN1CC[C@H](NC(=O)CN2CC(=O)N(C)C2=O)[C@@H](O)C1 1090723454 WXZQYQUKAGFQGT-RYUDHWBXSA-N 324.381 -0.992 30 20 DBED C=CCN1CC[C@@H](NC(=O)C2CCN(C(C)=O)CC2)[C@@H](O)C1 1090793604 GEFLKTHEYBYTCA-CABCVRRESA-N 309.410 -0.018 30 20 DBED CC(C)OCCC(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1091077372 QPHMFOLMORCFDQ-OLZOCXBDSA-N 319.365 -0.171 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CN(c2nccc(OC)n2)C[C@@H]1O 1091118288 GVCVROBYUSBICO-TUAOUCFPSA-N 322.365 -0.258 30 20 DBED CN(C)C(=O)CC(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@@H]1O 1091187320 CDTFWGYIERWUNN-OLZOCXBDSA-N 317.349 -0.903 30 20 DBED C#CCN1C[C@@H]2CN(C(=O)[C@@H]3CCCS3(=O)=O)C[C@]2(C)C1 1092288451 UAFCIFIIDFUZMC-IPYPFGDCSA-N 310.419 -0.023 30 20 DBED C#CCN1CC(OC2CCN(C(=O)[C@H]3CCC(=O)N3)CC2)C1 1093516174 JFXWWJQNFOOKEQ-CQSZACIVSA-N 305.378 -0.410 30 20 DBED CC(C)NC(=O)CCCC(=O)NCCN=c1cc[nH]c(C#N)n1 1093759983 IYGRYUNFWSMRBS-UHFFFAOYSA-N 318.381 -0.007 30 20 DBED Cc1cc(=NCCNC(=O)c2cc(C(N)=O)c[nH]2)c(C#N)c[nH]1 1093832117 JDCBYONITVUZOH-UHFFFAOYSA-N 312.333 -0.048 30 20 DBED N#Cc1ccc(NCCNC(=O)CCCn2cncn2)nn1 1093853497 SSOLWUOSPFUMCX-UHFFFAOYSA-N 300.326 -0.052 30 20 DBED N#Cc1ccc(NCCNC(=O)[C@H]2CCCCS2(=O)=O)nn1 1093922980 RGCYWPCNZAAOAI-LLVKDONJSA-N 323.378 -0.156 30 20 DBED N#Cc1ccc(NCCCNC(=O)CN2CCNC(=O)C2)nc1 1094718818 YXSMKQMKHKXWOI-UHFFFAOYSA-N 316.365 -0.697 30 20 DBED N#CCN1CC(N2C[C@@H](NC(=O)CC3OCCCO3)CC2=O)C1 1094726593 UKLXOQSHGVQXIL-NSHDSACASA-N 322.365 -0.936 30 20 DBED C[C@H](NC(N)=O)C(=O)N1CCC(N=c2cc[nH]cc2C#N)CC1 1095225509 VLDVASINLNBAAE-JTQLQIEISA-N 316.365 -0.165 30 20 DBED N#Cc1cncc(N2CCC[C@H](NC(=O)CNC(N)=O)C2)n1 1096137502 FATQVZLSNVAJPK-VIFPVBQESA-N 303.326 -0.898 30 20 DBED N#Cc1nccnc1N1CCC[C@@H](NC(=O)CCNC(N)=O)C1 1096180271 DFXQGABOXLAICR-SNVBAGLBSA-N 317.353 -0.508 30 20 DBED N#CCN(CCO)C1CCN(C(=O)CC2OCCCO2)CC1 1098350966 AMVYPDFZQZKXHR-UHFFFAOYSA-N 311.382 -0.052 30 20 DBED COc1cnc(C(=O)N2CCC(N(CC#N)CCO)CC2)nc1 1098423898 JTVUQANCKPUVBK-UHFFFAOYSA-N 319.365 -0.092 30 20 DBED CN(CCNC(=O)[C@H]1COCCN1C)c1nccnc1C#N 1100028064 DSGAHGMJYHPYSX-GFCCVEGCSA-N 304.354 -0.769 30 20 DBED C=CCCN1CC[C@H](NC(=O)C(=O)NCC(F)(F)F)[C@@H](O)C1 1100053925 RJQIGPUJKYWIMR-UWVGGRQHSA-N 323.315 -0.208 30 20 DBED C#CCOCCC(=O)NCC1CC(N[C@@H](C)C(=O)N(C)C)C1 1100322393 IERWJVSLLBWORS-HSBZDZAISA-N 309.410 -0.013 30 20 DBED CCN(CCNC(=O)[C@@H](C)NC(C)=O)c1ccc(C#N)nn1 1100434984 VYWFMWJFRRVNHJ-SNVBAGLBSA-N 304.354 -0.185 30 20 DBED CCN(CCNC(=O)COCCN(C)C)c1ccnc(C#N)n1 1100569495 DTRRFDJTQDLCSD-UHFFFAOYSA-N 320.397 -0.131 30 20 DBED C#CCCNC1CC(CNC(=O)[C@@H](CCC(N)=O)NC(C)=O)C1 1100763021 CMXBJRFBXCVJBH-JXQTWKCFSA-N 322.409 -0.736 30 20 DBED COCC#CCN1C[C@@H]2CN(C(=O)c3nc[nH]n3)C[C@]2(C)C1 1101396619 CKPXUTCILCUVST-DOMZBBRYSA-N 303.366 -0.152 30 20 DBED COC(=O)NCC(=O)N(C)[C@@H]1CCN(c2ccc(C#N)nn2)C1 1102671586 PWPSINOALFHOOB-LLVKDONJSA-N 318.337 -0.259 30 20 DBED C#CCN1C[C@@H](C)[C@H](CCNC(=O)CCNC(=O)COC)C1 1103055589 KFEGQORPTVSRTC-ZIAGYGMSSA-N 309.410 -0.154 30 20 DBED CC[C@H](CNC(=O)c1cn(C)c(O)n1)N=c1cc[nH]c(C#N)n1 1103294840 ITZIKLGYVOJMGK-SECBINFHSA-N 315.337 -0.170 30 20 DBED CC[C@@H](NC(C)=O)C(=O)NC[C@H](C)CN=c1cc[nH]c(C#N)n1 1104210663 WBQRJIUGTBPZST-ZYHUDNBSSA-N 318.381 -0.151 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H](O)CNC(=O)CCc1ncc[nH]1 1105802602 BFNLOJKJPYGCQV-LBPRGKRZSA-N 314.349 -0.380 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](C)[C@H](CNCc2ccon2)C1 1106028981 CNYMSNVBYBVBNA-CHWSQXEVSA-N 318.377 -0.002 30 20 DBED CC(=O)N[C@H](C)C(=O)NC/C=C\CN=c1cc[nH]c(C#N)n1 1107021668 XGQIPNSTTNMNLJ-UMBAGQNISA-N 302.338 -0.621 30 20 DBED CC#CCN1CCO[C@@](C)(CNC(=O)[C@H]2COCCN2C)C1 1107882746 BLDGKKIPJSCPLS-ZBFHGGJFSA-N 309.410 -0.453 30 20 DBED C[C@@H](CN(C)c1ccc(C#N)nc1)NC(=O)CCNC(N)=O 1108961993 SPRBQNVHHGTCAM-JTQLQIEISA-N 304.354 -0.047 30 20 DBED CC[C@H](OC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1109034308 QPCFVDAPXCNJID-VOAKCMCISA-N 308.382 -0.227 30 20 DBED C[C@H](CN(C)c1nccnc1C#N)NC(=O)[C@H]1CCCNC1=O 1109128329 OMAUKPLRRPQDOT-MNOVXSKESA-N 316.365 -0.185 30 20 DBED C[C@@]1(NC(=O)CNC(N)=O)CCN(c2ccc(C#N)nn2)C1 1110708728 KAQXCPXOPBULJU-CYBMUJFWSA-N 303.326 -0.898 30 20 DBED C[C@H](CC(N)=O)C(=O)N[C@]1(C)CCN(c2nccnc2C#N)C1 1110802385 MZNFCYHOXMDYJJ-MEBBXXQBSA-N 316.365 -0.055 30 20 DBED CSCC(=O)NC[C@@]1(O)CCN(c2nccnc2C#N)C1 1111031186 CRUMKNCKOFKDSH-ZDUSSCGKSA-N 307.379 -0.231 30 20 DBED CC[C@@H](OC)C(=O)N(CCO)CCN=c1cc[nH]c(C#N)n1 1111432293 HDQYFYYUQJVNKD-LLVKDONJSA-N 307.354 -0.572 30 20 DBED Cc1nc(NCC2(NC(=O)C(N)=O)CCOCC2)ccc1C#N 1112263506 XQMXDCFXEQZGML-UHFFFAOYSA-N 317.349 -0.176 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CCN(CC(=O)NC(N)=O)CC1 1112863632 JXWOFQQETUWKGU-NEPJUHHUSA-N 324.381 -0.693 30 20 DBED C#CCCN1C[C@H]2C(NC(=O)CCCN3C(=O)CCC3=O)[C@@H]2C1 1114370969 BPIFOUDGGCFMJI-CHWSQXEVSA-N 317.389 -0.015 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)[C@H]3CCCC(=O)N3)[C@H]2C1 1114443188 XJMOUQMFFXDLQA-SDDRHHMPSA-N 320.393 -0.996 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)Cc3cnc[nH]3)[C@H]2C1 1114889899 ZUTGQLSRGABOIO-PBOSXPJTSA-N 317.393 -0.311 30 20 DBED C#CCN1C[C@H]2C(NC(=O)CCC(=O)NCCCOC)[C@@H]2C1 1115103111 DSQPOBWUJJIJGE-CHWSQXEVSA-N 307.394 -0.401 30 20 DBED C=C(C)CCN1C[C@@H]2C(NC(=O)CS(=O)(=O)NC)[C@H]2C1 1115250406 WMMMBFQNBYBZDI-QWRGUYRKSA-N 301.412 -0.452 30 20 DBED CN(C(=O)CC(N)=O)[C@H](CNc1nccnc1C#N)C1CC1 1115486134 FISJWCXZOMNAEO-LLVKDONJSA-N 302.338 -0.127 30 20 DBED C[C@@H](CN(C)C(=O)C1CS(=O)(=O)C1)Nc1cncc(C#N)n1 1120122440 FBGKADVMGDCAOT-VIFPVBQESA-N 323.378 -0.348 30 20 DBED Cc1c(C(=O)NC[C@@H](CO)Nc2ccc(C#N)nn2)cnn1C 1121042787 DNKFAOAAJYFAEF-NSHDSACASA-N 315.337 -0.407 30 20 DBED Cc1cc(C#N)nc(N[C@H](CO)CNC(=O)Cn2cccn2)n1 1121055424 MOQOHOFYIDODCI-LBPRGKRZSA-N 315.337 -0.558 30 20 DBED Cc1cc(C#N)nc(N[C@@H](CO)CNC(=O)[C@@H]2CCCOC2)n1 1121198938 SWVRZXRLHOILCN-DGCLKSJQSA-N 319.365 -0.028 30 20 DBED Cc1c[nH]nc1C(=O)NC[C@@H](CO)Nc1ccc(C#N)nn1 1121528998 SAZWXCLSLULQMD-JTQLQIEISA-N 301.310 -0.417 30 20 DBED N#Cc1cncc(N[C@H](CO)CNC(=O)Cc2cncs2)n1 1122153370 OZIPBWKVCAUCDC-JTQLQIEISA-N 318.362 -0.064 30 20 DBED Cn1cncc1C(=O)NC[C@H](CO)Nc1nccnc1C#N 1122219249 SYGJHBMUXJZBSG-SECBINFHSA-N 301.310 -0.715 30 20 DBED C[C@H]1CCCN1CC(=O)NC[C@@H](CO)Nc1nccnc1C#N 1122527242 NZXUAGYLATVMCP-RYUDHWBXSA-N 318.381 -0.278 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CC[C@@H](CN=c2cc[nH]c(C#N)n2)C1 1123710010 GUVVIAQXHYWDNJ-VXGBXAGGSA-N 316.365 -0.397 30 20 DBED Cc1c[nH]c(C(=O)N(C)C[C@@H](O)CN=c2cc[nH]c(C#N)n2)n1 1124827814 DNCCUCPVULYRCW-JTQLQIEISA-N 315.337 -0.653 30 20 DBED CN(CC(=O)NCCNCC#Cc1ccccc1)S(C)(=O)=O 1128603877 PAAJUUJKWLDFLV-UHFFFAOYSA-N 323.418 -0.365 30 20 DBED C#CCC1(C(=O)NCCN[C@@H]2CCN(C)C2=O)CCOCC1 1129120776 CFZUMJDAJZIEBV-CYBMUJFWSA-N 307.394 -0.257 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H]2C[C@@H]3CN(CC#C)C[C@]2(C1)O3 1131217989 VZYYOORBTQPMCC-JJRVBVJISA-N 315.373 -0.939 30 20 DBED Cc1csc(CCC(=O)NCCNCC(=O)NCC#N)n1 1131372428 GWUMFHCDRLCRED-UHFFFAOYSA-N 309.395 -0.270 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cnc2cnccc2c1 1131384642 GGZGHUGVBLVAFS-UHFFFAOYSA-N 311.345 -0.301 30 20 DBED C#Cc1ccc(C(=O)NCCN[C@@H](C)C(=O)NC(N)=O)cc1 1132226594 GUORMTJJZQYONL-JTQLQIEISA-N 302.334 -0.429 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)C[C@@H](C)NCC(=O)NCC 1134130982 OYDOMUMBSXMWAA-NEPJUHHUSA-N 310.398 -0.865 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)c1ccnnc1 1134291830 IIUKTXBSXAZKPP-UHFFFAOYSA-N 303.366 -0.003 30 20 DBED COCCn1nc(C(=O)N[C@@H](C)C[C@H](C)NCC#N)ccc1=O 1134914309 SSQXYKIBJWOFDW-RYUDHWBXSA-N 321.381 -0.100 30 20 DBED N#CCNC(=O)CNCCNC(=O)CCc1nc(C2CC2)no1 1134917262 PNWFBYKWODBJTH-UHFFFAOYSA-N 320.353 -0.775 30 20 DBED CCN(CC)[C@H](C(=O)NCCNCC(=O)NCC#N)C(C)C 1135477311 BHKMGOMHZPNQPR-AWEZNQCLSA-N 311.430 -0.302 30 20 DBED C#Cc1ccc(C(=O)NCCNC[C@@H]2CCS(=O)(=O)C2)nc1 1148369961 BNICGIDAUZTCNN-ZDUSSCGKSA-N 321.402 -0.183 30 20 DBED C=C(C)CN1CCCO[C@H](CNC(=O)CN2CC(=O)NC2=O)C1 1150452919 JXYQKSCSOFSTCA-GFCCVEGCSA-N 324.381 -0.679 30 20 DBED CC#CCN1CCCO[C@@H](CNC(=O)CS(=O)(=O)CC)C1 1150770513 HFPPERNTBZZDPN-ZDUSSCGKSA-N 316.423 -0.349 30 20 DBED N#CCNC(=O)CNCCNC(=O)CCOc1ccccc1 1150923057 LTPXXJDJWRJPNF-UHFFFAOYSA-N 304.350 -0.199 30 20 DBED COCCC1(NC(=O)[C@@H]2CN(C)C(=O)N2)CCN(CC#N)CC1 1151247993 GRODMLJFOSNSHV-LBPRGKRZSA-N 323.397 -0.479 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)[C@H]1CCCN1C 1152392795 UFZPVMGNSUTOHM-ZIAGYGMSSA-N 308.426 -0.343 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@H](C)n1nc(C)cc1C 1153302650 WLMGIVKCRXZRBE-KGLIPLIRSA-N 319.409 -0.095 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)Cn1ccc(C)n1 1155300526 PGKWXEOBNQWKPE-CYBMUJFWSA-N 320.397 -0.342 30 20 DBED C[C@H](NCCCNC(=O)c1ccc(C#N)[nH]1)C(=O)NC(N)=O 1156703588 VUNSGAULMHMDGG-QMMMGPOBSA-N 306.326 -0.821 30 20 DBED C#CCN1CC=C(CCNC(=O)C2CC(=O)NC(=O)C2)CC1 1161472560 XVAIVEZUTGRJQY-UHFFFAOYSA-N 303.362 -0.189 30 20 DBED COCC1(CNC(=O)[C@H]2CCC(=O)N2C)CCN(CC#N)CC1 1162428441 DKVIQSVFERVUMQ-CYBMUJFWSA-N 322.409 -0.024 30 20 DBED C=CCOCCNCCCNC(=O)[C@@H]1CCc2nnnn2CC1 1167069979 AYKGECQPTHRGAI-CYBMUJFWSA-N 322.413 -0.076 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCC[C@H](C)NC(=O)CNC(C)=O 1168866111 OVXTTWVNUXCSPG-QWHCGFSZSA-N 324.425 -0.475 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)C3(C(=O)NC)CCC3)C[C@@H]21 1177140155 WMNLZNOFHLJTQE-KBPBESRZSA-N 319.405 -0.162 30 20 DBED C[C@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)CN(C)C1CCC1 1178902178 DKCWUBGEVKCVGH-JSGCOSHPSA-N 321.425 -0.311 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)c2cn(C)ccc2=O)C1 1184138485 IJNKNLYTRJLYQK-GFCCVEGCSA-N 318.377 -0.508 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@@H]2CCN(C(=O)CNC(C)=O)[C@@H]2C1 1186706194 WVBBKGOHEKSHST-KWCYVHTRSA-N 322.409 -0.654 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)cn1 1187213995 UWJRKYKGQMOQJS-CQSZACIVSA-N 311.345 -0.493 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)C2CCOCC2)C1 1188580501 RQGSZJAIBQGXCO-CQSZACIVSA-N 307.394 -0.305 30 20 DBED C=CCN1CC[C@@H](N(C)[C@@H]2CCN(C(=O)CNC(C)=O)C2)C1=O 1188693004 IBBOFYKSUKXSPY-ZIAGYGMSSA-N 322.409 -0.558 30 20 DBED C=CCN1C[C@@H]2CCN(C(=O)CN(C)S(=O)(=O)CC)[C@@H]2C1 1189621557 KNZNCJJPJWAANH-QWHCGFSZSA-N 315.439 -0.013 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(CC(=O)N(C)CC2CC2)C[C@H]1O 1192503659 HRPLZTHOCOQGJU-HUUCEWRRSA-N 321.421 -0.180 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(Cc2nonc2C)C[C@H]1O 1192524000 CXQSYLFJVFIAJI-YRGRVCCFSA-N 310.354 -0.634 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2ccc(C#C)nc2)C1 1193543462 UBVNRKMJPUHPCW-MRXNPFEDSA-N 324.384 -0.041 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@H]1CCN(C(=O)CN(C)CCC)C1 1193640868 FZCORHRKVHOUBM-CABCVRRESA-N 322.453 -0.001 30 20 DBED CC[C@@H](C)OCC(=O)N1CCCN(CC(=O)NCC#N)CC1 1195523341 CAWVCDGGGIKFGR-CYBMUJFWSA-N 310.398 -0.024 30 20 DBED CC(C)C1(C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@H]2O)CC1 1196054826 ZUAADWZWCWXDDA-VXGBXAGGSA-N 308.382 -0.776 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)C(C)(C)NS(C)(=O)=O)C1 1196739071 IUPRMKYEJGYSOI-GHMZBOCLSA-N 319.427 -0.948 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)COCCOCC)C1 1199119697 QGQHMBGXFWTXHP-VXGBXAGGSA-N 306.790 -0.047 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC(N[C@@H]2CCCNC2=O)CC1 1200531505 DZWBOHQLQZCUJF-GXTWGEPZSA-N 307.394 -0.116 30 20 DBED CC#CCNC[C@H]1CN(C(=O)[C@H]2CCCC(=O)N2)CCCO1 1200767666 UZAYRHFRZBTARK-UONOGXRCSA-N 307.394 -0.115 30 20 DBED C#CCNC[C@@H]1CN(C(=O)[C@H](C)N2CCOCC2)CCCO1 1202242255 BXWCSBYLSFLMDR-LSDHHAIUSA-N 309.410 -0.453 30 20 DBED N#CCN[C@H]1C[C@@H](NC(=O)C(=O)NCC(F)F)C12CCC2 1203123038 OAHOIIKKLHXHDB-DTWKUNHWSA-N 300.309 -0.092 30 20 DBED CC#CCN[C@@H]1C[C@H](NC(=O)CN2C(=O)CNC2=O)C12CCC2 1203694738 KQFIJUGZXKCJNV-NEPJUHHUSA-N 318.377 -0.422 30 20 DBED C#CCCCCC(=O)N[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1C 1206885152 XHLKQXCTONLRQX-VXGBXAGGSA-N 308.382 -0.189 30 20 DBED CCCCS(=O)(=O)NCC(=O)N[C@@H]1CN(CC#N)C[C@H]1C 1210654086 VKNJHOMESLETDL-VXGBXAGGSA-N 316.427 -0.334 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)c2cocn2)[C@H](OC)C1 1212017780 SEJZERGRROETBV-DMDPSCGWSA-N 320.349 -0.759 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)/C(C)=C/C 1217619605 DPJXBQSZTCYOOI-ODYZYYDOSA-N 305.378 -0.386 30 20 DBED C=CCOCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CCC(=O)N1 1218989456 FKLQTTDVFNWGBX-MELADBBJSA-N 323.393 -0.621 30 20 DBED CC(C)S(=O)(=O)CC(=O)N1CCO[C@@H]2CN(CC#N)C[C@@H]21 1219039568 PGCJSFRNNYNUJN-NWDGAFQWSA-N 315.395 -0.755 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2ccc(F)nc2)C1 1219370384 AHSFJYWJALWIKT-NEPJUHHUSA-N 322.340 -0.702 30 20 DBED C=C[C@@H](CC)CC(=O)N[C@@H]1CN(Cc2nc(O)n[nH]2)C[C@@H]1O 1220205771 LUAMJZSXYBYSFC-AXFHLTTASA-N 309.370 -0.226 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@H]2CC23CCC3)C1 1220429898 CKNTVSNVBYWCCL-UPJWGTAASA-N 307.394 -0.360 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@@H](NC(C)=O)[C@@H](C)CC)C1 1221035677 OGKJNTTYRWPSGL-ATGSNQNLSA-N 309.410 -0.278 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN([C@H](C)c2n[nH]c(C)n2)C[C@@H]1O 1221139662 IFHBMAIAFZJNMA-RTXFEEFZSA-N 323.397 -0.072 30 20 DBED N#CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3cnsn3)[C@@H]2C1 1221316395 IIBDMLGOUXPEJS-MWLCHTKSSA-N 320.378 -0.676 30 20 DBED C=CCOCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCC#N 1225355472 BRTZSNQXWBGRIP-CHWSQXEVSA-N 308.382 -0.154 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCC(NC(=O)CNC(C)=O)CC1 1225866089 BJFCGIYQLOJEQB-LLVKDONJSA-N 310.398 -0.606 30 20 DBED C#CCCN[C@@H]1CCCC[C@H]1NC(=O)CCS(=O)(=O)NC 1226197978 QUSVLSYBENMUNT-CHWSQXEVSA-N 315.439 -0.034 30 20 DBED C[C@@H](C#N)C(=O)NC1CCN(CC(=O)N2CCO[C@H](C)C2)CC1 1226640372 MUMSDQGZLJUMGN-QWHCGFSZSA-N 322.409 -0.026 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)c2cc(C)ncn2)CC1 1226892916 PSKAPZHCGARASN-UHFFFAOYSA-N 315.377 -0.271 30 20 DBED C=CCNC(=O)[C@H](C)N1CCC(NC(=O)C2(C(N)=O)CC2)CC1 1228963257 WRIVPQWXPDASCT-NSHDSACASA-N 322.409 -0.477 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)Cc2nc[nH]n2)CC1 1229985530 QIRBFYZQZDWPDT-UHFFFAOYSA-N 306.370 -0.770 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)c1cccnc1 1230583690 IRPGCLYEMNYQFI-CQSZACIVSA-N 300.362 -0.023 30 20 DBED COCC#CCN1CC[C@H]1CN(C)C(=O)[C@H]1CN(C)CCO1 1231369530 USBQOXWMTOAPDX-LSDHHAIUSA-N 309.410 -0.501 30 20 DBED CCn1nccc1C(=O)N(C)C[C@H]1CCN1CC(=O)NCC#N 1233855790 BGADLDCHJMYWBH-GFCCVEGCSA-N 318.381 -0.311 30 20 DBED COCC#CCN1CC[C@H]1CN(C)C(=O)Cc1n[nH]c(C)n1 1234204901 GGPQJCNPWAOQQD-ZDUSSCGKSA-N 305.382 -0.162 30 20 DBED CN(C[C@@H]1CCN1CC(=O)NCC#N)C(=O)Cc1cncs1 1235600226 CATUPJLYWOICPL-NSHDSACASA-N 321.406 -0.142 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CCC[C@@H](COC)C2)nn1 1261449355 ZESGGCMOTFFWPS-GFCCVEGCSA-N 321.381 -0.035 30 20 DBED CC(C)OC(=O)CNC(=O)C(=O)Nc1ccn(CCC#N)n1 1322506347 JYLHTYTXBYRLLW-UHFFFAOYSA-N 307.310 -0.197 30 20 DBED CS(=O)(=O)CCCNC(=O)C(=O)N1CC[C@](F)(C#N)C1 1323410358 YGAOQCZZBZJFGL-NSHDSACASA-N 305.331 -0.999 30 20 DBED N#CCNC(=O)CNC[C@H]1CCCN1C(=O)COCC1CC1 1324116936 HJPORFFRVSHNQY-CYBMUJFWSA-N 308.382 -0.367 30 20 DBED CN1CCC[C@@H](CN(C)C(=O)C(=O)N2CC[C@](O)(CC#N)C2)C1 1326249701 PENXWTNXALUEBJ-CZUORRHYSA-N 322.409 -0.336 30 20 DBED N#CCn1cc(NC(=O)CCN2C(=O)CCNC2=S)cn1 1326743454 KILNBWQRKXOFBM-UHFFFAOYSA-N 306.351 -0.158 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N[C@@H]2CCN(C)[C@H](C)C2)nn1 1328080647 MBPWRYGOKYUJPN-VXGBXAGGSA-N 320.397 -0.321 30 20 DBED CCOC(=O)N1CC[C@@H](NC(=O)C(=O)N2CCO[C@H](C#N)C2)C1 1329849816 PQAWUXPCUKVTAK-GHMZBOCLSA-N 324.337 -0.916 30 20 DBED C=C[C@@H](COC)NC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C 1338133353 KGVIXMHGQQFUOJ-JTQLQIEISA-N 318.333 -0.437 30 20 DBED N#Cc1cn(CCC(=O)N(CCO)CC2CC2)c(=O)nc1O 1363166797 GNPPEUMKUJQZAG-UHFFFAOYSA-N 306.322 -0.558 30 20 DBED CCN1C[C@H](C(=O)N2CC(CNC(=O)[C@H](C)C#N)C2)CC1=O 1374901211 ZGKAOTJYYCCOHL-ZYHUDNBSSA-N 306.366 -0.411 30 20 DBED C=C(Cl)CN1CC(O)(CNC(=O)CS(=O)(=O)CC)C1 1376299102 RBVHQQCLWYGCTA-UHFFFAOYSA-N 310.803 -0.664 30 20 DBED COCCN(CCNC(=O)[C@H](C)NC(C)=O)C(=O)[C@@H](C)C#N 1383298103 WENSAOUREGUYSH-QWRGUYRKSA-N 312.370 -0.738 30 20 DBED C[C@@H](CN(C)C(=O)c1cc(C#N)c[nH]1)NCc1nc(=O)n(C)[nH]1 1394460722 JFQDPCDSFJSJHC-VIFPVBQESA-N 317.353 -0.442 30 20 DBED CC(=O)N1CC(C(=O)N[C@H](C)CNC(=O)c2cc(C#N)c[nH]2)C1 1408101435 AADNBCXQMZVGOU-SECBINFHSA-N 317.349 -0.401 30 20 DBED COCCn1cc(C(=O)N[C@@H](C)CNC(=O)[C@H](C)C#N)nn1 1415260393 WMWVFZXSBADXHM-ZJUUUORDSA-N 308.342 -0.681 30 20 DBED C[C@H](C#N)C(=O)NC[C@@]1(C)CCN(C(=O)CCNC(N)=O)C1 1417366601 MXSWZIPPSSIIQA-QMTHXVAHSA-N 309.370 -0.441 30 20 DBED CCOCC(=O)NC[C@@H](O)CN(C)C(=O)c1cc(C#N)c[nH]1 1425775830 PIHVAYALQPVHRH-LLVKDONJSA-N 308.338 -0.528 30 20 DBED C[C@H](C#N)C(=O)N[C@H](CNC(=O)C1(NC(N)=O)CC1)C1CC1 1427913412 UXDJEHVAZRYZMR-PSASIEDQSA-N 307.354 -0.642 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]1CN(C)C(=O)CN1CCOCC1=O 1429017381 RXWMRVYAGOLDJY-NEPJUHHUSA-N 322.365 -0.936 30 20 DBED CCN(CCNC(=O)[C@@H]1CCCN1C(N)=O)C(=O)[C@@H](C)C#N 1429631057 FOPVZKGDUBDSNF-QWRGUYRKSA-N 309.370 -0.346 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)N[C@H](CO)[C@H]2CCOC2)cc1 1433869491 SBIGLEXCLCNHMJ-UONOGXRCSA-N 317.345 -0.198 30 20 DBED CCCC[C@@H](CNC(=O)[C@@H](C)C#N)NC(=O)CNC(=O)NC 1450251526 HPAQJMYUZPRTSB-QWRGUYRKSA-N 311.386 -0.134 30 20 DBED C[C@@H](CNC(=O)CCn1ncn(C)c1=O)CNC(=O)[C@@H](C)C#N 1451616113 XCGFJTANNQWGCB-QWRGUYRKSA-N 322.369 -1.000 30 20 DBED N#Cc1ccc(C(=O)NC[C@@H](O)CNC(=O)c2ccccn2)[nH]1 1452230334 KZUBQUUPSCUTIQ-NSHDSACASA-N 313.317 -0.198 30 20 DBED COC(=O)NCC(=O)N1CC[C@@H](CN(C)C(=O)[C@H](C)C#N)C1 1530136176 PZZWWJWGOIOLKW-MNOVXSKESA-N 310.354 -0.191 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C[C@@H](C)N=c1cc[nH]c(C(=O)O)n1 1573311333 MPTHMKUXZBFCCF-GHMZBOCLSA-N 320.349 -0.106 30 20 DBED CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CO)C(=O)O 1573496974 DAMHYUVWMALBKQ-UWVGGRQHSA-N 314.338 -0.145 30 20 DBED C[C@H](NC(=O)Cn1cnc(C#N)n1)C1(C(=O)O)CCOCC1 1573561862 JFBQYFVREIJLBJ-VIFPVBQESA-N 307.310 -0.464 30 20 DBED C=CCn1c([C@H]2COCCN2)nnc1N1CCC[C@H](C(N)=O)C1 1574955300 XLPOGAMMWKDGJH-NWDGAFQWSA-N 320.397 -0.173 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CCCN(CC(=O)NCc2cnn[nH]2)C1 1575177832 MLFRFSQHOYHSEE-GHMZBOCLSA-N 319.369 -0.839 30 20 DBED CON1CCC(N(C)c2cnc(-c3nn[nH]n3)c(C#N)n2)CC1 1579847149 AICZCXDUDWTIIH-UHFFFAOYSA-N 315.341 -0.010 30 20 DBED C#Cc1ccccc1CC(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)O 1588439252 MKXBGIRBLWMDMF-CYBMUJFWSA-N 321.354 -0.079 30 20 DBED C=C(C)C[C@H](NS(=O)(=O)CCn1nc(C)oc1=O)C(=O)O 1588553102 GWCJKXZTQRZZPP-VIFPVBQESA-N 319.339 -0.516 30 20 DBED CC(C)(C)OC(=O)Cn1c(=O)c(C#N)cn(CC(=O)O)c1=O 1588675159 NPSKGBXXLBATBE-UHFFFAOYSA-N 309.278 -0.692 30 20 DBED C=CCCC[C@@H](NC(=O)CNS(=O)(=O)N(C)C)C(=O)O 1588788925 RLPXAFNVWSMMTM-SECBINFHSA-N 307.372 -0.692 30 20 DBED N#C[C@H](CO)NC(=O)c1ccn(-c2cccc(-c3nn[nH]n3)c2)n1 1592664298 AYOFASRCZDUGMD-SNVBAGLBSA-N 324.304 -0.333 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N1C[C@@H](C(=O)O)C[C@@H](O)C1 1596231472 OHWWCNZHVPBUIH-OUAUKWLOSA-N 319.383 -0.520 30 20 DBED C[C@H]1C[C@H](NCC#N)CN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1 1603859235 YWPHOBYRMYJSNT-IUCAKERBSA-N 300.326 -0.089 30 20 DBED CO[C@@]1(C(=O)O)CCN(C(=O)C(=O)N(C)CC(C)(C)C#N)C1 1606690639 AMBTVVSANCOZEP-AWEZNQCLSA-N 311.338 -0.303 30 20 DBED C#CCN(CC#N)C(=O)CNC(=O)c1ccc(-c2nn[nH]n2)cc1 1609020892 QOJPLYJTBCJMIN-UHFFFAOYSA-N 323.316 -0.418 30 20 DBED CC(=O)N1C[C@H]2[C@@H](NC(=O)Cn3cnc(C#N)n3)CCC[C@H]2C1 1647204899 IOXSGPGSGOQGIL-XQQFMLRXSA-N 316.365 -0.087 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)CNC(=O)OC)C1 1731432308 IJXQSSNNAJIRDH-MNOVXSKESA-N 312.370 -0.776 30 20 DBED C#CCN1CCC[C@H]1CNC(=O)[C@H](CCC)S(N)(=O)=O 1753108844 RFDBXSRGWAUVDU-RYUDHWBXSA-N 301.412 -0.343 30 20 DBED C=CCNC(=O)CN1CC[C@@H](CNC(=O)CNC(=O)OC)C1 1753119859 PPFWREYZKBDSQH-NSHDSACASA-N 312.370 -0.917 30 20 DBED C#CCNC(=O)[C@@H](C)N(CCNC(=O)c1ccnn1C)C1CC1 1753151313 VPWHEJSZTYGUJA-GFCCVEGCSA-N 317.393 -0.248 30 20 DBED C=C(C)CN1CC(CNC(=O)CN(C)S(=O)(=O)CC)C1 1753412925 PQWOAHPLSUDORF-UHFFFAOYSA-N 303.428 -0.108 30 20 DBED C#CCNC(=O)CN1CC[C@H](N(C)C(=O)c2c[nH]nc2CC)C1 1753440671 SVQFSSFFPMMVQH-LBPRGKRZSA-N 317.393 -0.132 30 20 DBED C[C@@H](NCC(=O)NCC#N)[C@H]1CCCN(C(=O)CCN(C)C)C1 1753813135 GDUGLWGVQAGDGX-KGLIPLIRSA-N 323.441 -0.205 30 20 DBED C=CCN1CC[C@H](N(C)CCN(C)C(=O)[C@@H]2CCC(=O)N2)C1=O 1753867419 QPUBGPFVMYGHSP-STQMWFEESA-N 322.409 -0.558 30 20 DBED C#CCNC(=O)CNCCN(CC)C(=O)c1cncc(OC)n1 1754070783 OWLAJJBTNBCLDV-UHFFFAOYSA-N 319.365 -0.714 30 20 DBED CCn1cnc(C(=O)N[C@H]2[C@H]3C[C@H]2N(CC(=O)NCC#N)C3)c1 1754430931 WXFCUTJTEMPVRV-SUHUHFCYSA-N 316.365 -0.655 30 20 DBED C#CCN(C(=O)C(=O)NCC(F)F)C1CCN(CC#N)CC1 1754638917 PCLILIKFLYSLGR-UHFFFAOYSA-N 312.320 -0.183 30 20 DBED C#CCNC(=O)CN1CC(O)(CNC(=O)C/C=C(/C)C=C)C1 1754772860 VITNSVLUWAMKQV-MLPAPPSSSA-N 305.378 -0.579 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@H](CNC(=O)CN1C(=O)CNC1=O)C2 1754830846 FHQKSXGSNNCZBT-CLLJXQQHSA-N 318.377 -0.469 30 20 DBED CC(C)(C)C#CC(=O)N(CCO)CCNCCn1cncn1 1754881374 AZWWGADMFKVKMV-UHFFFAOYSA-N 307.398 -0.262 30 20 DBED COCCOCCN[C@]1(CO)CCCN(C(=O)[C@H](C)C#N)C1 1755081761 LMENURGPSWUWIP-UKRRQHHQSA-N 313.398 -0.248 30 20 DBED Cc1ncncc1C(=O)N1C[C@H](C)[C@H](NCC(=O)NCC#N)C1 1755102844 CDDWOBJSBPMHRV-GXFFZTMASA-N 316.365 -0.525 30 20 DBED CNC(=O)NCC(=O)N1CCC[C@@H]([C@H]2CCN(CC#N)C2)C1 1755205553 UCFOHIOEPIULEN-OLZOCXBDSA-N 307.398 -0.001 30 20 DBED C[C@@H](CCCNCC(=O)NCC#N)NC(=O)c1ccncn1 1755519714 LDEKDHWNPFODBR-NSHDSACASA-N 304.354 -0.396 30 20 DBED CCn1cc(CC(=O)NC[C@H](CO)NCC#CCOC)cn1 1755644198 ZLOQUHZGAIUMSD-CQSZACIVSA-N 308.382 -0.838 30 20 DBED C#CCN(C)C[C@H](O)CN(C)C(=O)[C@@H](OC)c1cnn(C)c1 1755802353 CMHMWBVSSHQBLR-KBPBESRZSA-N 308.382 -0.508 30 20 DBED C#CCCCC(=O)N[C@H](C)[C@@H](C)NC(=O)CN1C(=O)CNC1=O 1755964209 IPQGXZXGZNBMFO-GHMZBOCLSA-N 322.365 -0.649 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H](O)CN(C)C(=O)c1cnn(C)c1 1756649151 HBLJGCPZGGDKDM-WCQYABFASA-N 322.365 -0.993 30 20 DBED O=C(CCc1cn[nH]c1)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1757002809 VBDQKVXOMKCPIN-ZIAGYGMSSA-N 316.361 -0.556 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2cncn2C)C1 1757017671 UVTDILXGCQWPQZ-ZIAGYGMSSA-N 318.377 -0.690 30 20 DBED C=CCCC(=O)N1CC[C@@H]1CN(C)C(=O)C[C@@H]1NC(=O)NC1=O 1757295160 NUEZWXYENFAOAM-MNOVXSKESA-N 322.365 -0.390 30 20 DBED CNC(=O)CNC(=S)NN=Cc1snc(C)c1C(=O)O 1776042327 FRQBZAKEEXTZEQ-UHFFFAOYSA-N 315.380 -0.306 30 20 DBED COc1cc(C(=O)O)ccc1NN=Cc1cn(CC(N)=O)nn1 1776050647 QIWMOJDHSSIGOO-UHFFFAOYSA-N 318.293 -0.084 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](N)[C@H](C)CC)CCO2 1783049787 SNSIBXQHLVBTDO-INWMFGNUSA-N 307.394 -0.177 30 20 DBED CCOCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC#N)[C@H]2C1 1786365727 VSZDIJULTFJPSM-AVGNSLFASA-N 309.366 -0.084 30 20 DBED N#CCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CNC(N)=O 1804469762 PCEBIRQGNPSMCZ-JGPRNRPPSA-N 307.354 -0.403 30 20 DBED NCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)C#CC(=O)O)[nH]n1 1817245803 YESPSDJYBIHWFP-JTQLQIEISA-N 319.321 -0.552 30 20 DBED C=CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)CNC(C)=O)C1 1845989556 CVJKAGLLAMUXAQ-GFCCVEGCSA-N 323.393 -0.083 30 20 DBED Cc1nn[nH]c1C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846195399 LIKLTXHNIUPVJV-UHFFFAOYSA-N 317.305 -0.982 30 20 DBED C[C@H]1C[C@@H](Nc2c(C#N)c(=O)n(C)c(=O)n2C)CN1C1CC1 133563908 MCNJDYINWBCIPO-VHSXEESVSA-N 303.366 -0.007 30 20 DBED COC(=O)[C@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(C#N)cc1 157085662 CIYQMSPLOYKKEV-ZYHUDNBSSA-N 310.331 -0.145 30 20 DBED C#CCOCCC(=O)N1CCN([C@@H](C)C(=O)NC2CC2)CC1 161222352 ODIPKVXYAAOEBY-ZDUSSCGKSA-N 307.394 -0.162 30 20 DBED C=CCNC(=O)CNC(=O)N[C@@H](C)CCN1CCN(C)CC1 185928099 VGAWODALEHBHML-ZDUSSCGKSA-N 311.430 -0.386 30 20 DBED C[C@H](O)CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 269484450 RFNVWAADXNZWRO-UWVGGRQHSA-N 311.363 -0.278 30 20 DBED C#CCN(CCn1cnc2c1c(=O)n(C)c(=O)n2C)C1CC1 274226144 VUCISIXDPHDQSC-UHFFFAOYSA-N 301.350 -0.469 30 20 DBED CC1(C#N)CN(C(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)C1 280609467 ZICBFPDPTJXLJT-AAXDQBDMSA-N 317.345 -0.089 30 20 DBED CN1CCOC[C@@H]1C(=O)N1CCN(C/C(O)=N/C2CC2)CC1 328954452 MWVIYASMWPZIIW-CYBMUJFWSA-N 310.398 -0.420 30 20 DBED N#CCCn1ccc(NC(=O)N2CCN3CCOC[C@@H]3C2)n1 329862000 YFUADIDKUWUQMV-LBPRGKRZSA-N 304.354 0.345 30 20 DBED CC/N=C(/O)NC(=O)Cn1cc(S(=O)(=O)N(C)C)cn1 330856834 NXKAOUWYPBXXAY-UHFFFAOYSA-N 303.344 -0.817 30 20 DBED CCN(CC)C(=O)[C@H]1CSCN1C(=O)Cn1cnc(C#N)n1 331123889 CJLLKKQGIBPVKZ-SNVBAGLBSA-N 322.394 -0.080 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H](CO)C1CCOCC1 337153072 LORZQOKBXJUJNY-PWSUYJOCSA-N 305.400 -0.300 30 20 DBED C=CCOCC(=O)N(CCN1CCOCC1)CC(=O)OC 347567373 SPHFWTKBPBACPL-UHFFFAOYSA-N 300.355 -0.477 30 20 DBED C[C@@H](C(=O)NC1CC1)N1CCN(S(=O)(=O)[C@H](C)C#N)CC1 352414326 TUAYHMUMUHICFQ-MNOVXSKESA-N 314.411 -0.487 30 20 DBED Cc1cc(NC(=O)NC[C@@]2(O)CCN(C)C2)nn1CCC#N 358484661 ZBQMIJWMRUEMCO-AWEZNQCLSA-N 306.370 0.293 30 20 DBED COCCN(CCOC)S(=O)(=O)N(CCC#N)CCC#N 360275513 CCDFMKIRCZTDCJ-UHFFFAOYSA-N 318.399 -0.045 30 20 DBED C=CCOC[C@H](NS(=O)(=O)[C@@H](C)C(=O)N(C)C)C(=O)OC 360605017 PAUBUUGIPBTSQQ-UWVGGRQHSA-N 322.383 -0.873 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N1CCN([C@H]2CCNC2)CC1 423526629 ZTAALMROOILKBB-AWEZNQCLSA-N 324.425 -0.847 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@@H]1CCC[C@@H]1CO 452030667 OGOGVBWODUAFNV-VXGBXAGGSA-N 305.400 -0.156 30 20 DBED CC(C)[C@H]1CN(c2c(C#N)c(=O)n(C)c(=O)n2C)CCN1C 487039377 BMRYLPFSHSOHDC-GFCCVEGCSA-N 305.382 -0.268 30 20 DBED COCCO[C@@H]1COCC[C@@H]1NC(=O)N1CCO[C@@H](C#N)C1 487054068 DKECLIVBYYCALT-RWMBFGLXSA-N 313.354 -0.259 30 20 DBED CN(CCC#N)C[C@@H](O)CN[C@H]1CCN(c2cnn(C)c2)C1=O 568975997 ORNQRGWTTPXUAJ-KBPBESRZSA-N 320.397 -0.679 30 20 DBED C=CCCCNC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)NC)C1 583046849 KZXHFPNFMWTTPP-LLVKDONJSA-N 317.411 -0.391 30 20 DBED CC[C@]1(CO)CCCN1C(=O)C(=O)NC1CCN(CC#N)CC1 588124971 RMBSATQXGISXPX-MRXNPFEDSA-N 322.409 -0.146 30 20 DBED N#Cc1cc(O)cc(C(=O)NCCN2CCS(=O)(=O)CC2)c1 589169718 JKQDHXXFGVGGRG-UHFFFAOYSA-N 323.374 -0.276 30 20 DBED COCC(=O)N[C@H](C(=O)NC1CCN(CC#N)CC1)C(C)C 610157226 NYJKADVCEFDMRT-AWEZNQCLSA-N 310.398 -0.122 30 20 DBED C[C@H](NS(=O)(=O)N(C)[C@@H](C)CC#N)[C@@H]1CN(C)CCO1 619750900 PPNBQFNEYXKMFJ-SRVKXCTJSA-N 304.416 -0.226 30 20 DBED C=CCCNC(=O)N(CC)CC(=O)N[C@@H]1CCS(=O)(=O)C1 661571256 DSVDOBHBEHLNRI-LLVKDONJSA-N 317.411 -0.103 30 20 DBED C#CCNC(=O)CN1CCN(S(=O)(=O)CCCCC)CC1 732210968 OTODJCBUTQGTAH-UHFFFAOYSA-N 315.439 -0.127 30 20 DBED C#CCCCCNS(=O)(=O)N1CCN(S(C)(=O)=O)CC1 758453035 JUROPSWOTVCTEO-UHFFFAOYSA-N 323.440 -0.799 30 20 DBED C#CCCN1CCN(CC(=O)NCC(=O)N2CCCC2)CC1 762299812 YQNKVIXIAGRXRG-UHFFFAOYSA-N 306.410 -0.634 30 20 DBED N#CCCNC(=O)COC(=O)c1ccc(S(N)(=O)=O)cc1 787609930 FJNNATBHKWLZPX-UHFFFAOYSA-N 311.319 -0.479 30 20 DBED C#CCNC(=O)CN1CCN(c2ncnc3onc(C)c23)CC1 799934997 AQDVQRKKWRPDSD-UHFFFAOYSA-N 314.349 -0.202 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N(CCS(C)(=O)=O)C1CC1 800924669 AGRRINAJMMFXPL-JTQLQIEISA-N 323.440 -0.026 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCC(C(=O)OC)CC1)[C@@H]1CCCO1 809307865 DFCUWQCLUIXENU-STQMWFEESA-N 322.361 -0.305 30 20 DBED Cn1c(=NN=C2C(=O)NC(=O)NC2=O)sc2ccccc21 814212467 BSXUJSMRCWBUIO-UHFFFAOYSA-N 303.303 -0.138 30 20 DBED CC[C@@]1(C)NC(=O)N(N=Cc2cn(C)c(=O)n(C)c2=O)C1=O 839397815 HXHRSDXINFBRCB-CYBMUJFWSA-N 307.310 -0.862 30 20 DBED C#Cc1cccc(NC(=O)CNC(=O)C2(S(N)(=O)=O)CC2)c1 845243680 YHKLFODSDIWQIK-UHFFFAOYSA-N 321.358 -0.456 30 20 DBED C#CCNC(=O)CN1CCN(C[C@@H](O)CN(C)C(C)C)CC1 851751172 OPOLRQDVDSSTRG-HNNXBMFYSA-N 310.442 -0.946 30 20 DBED C#CCN1CCC(NC(=O)[C@H]2CC(=O)N(CCOC)C2)CC1 928656826 HMYYADNHPCNIED-ZDUSSCGKSA-N 307.394 -0.305 30 20 DBED C=C1CC(C)(C(=O)N2CC[C@@H](NC(=O)Cn3ncnn3)C2)C1 940610540 DGMZLQWDSWKDGD-LLVKDONJSA-N 304.354 -0.254 30 20 DBED C#CCCN1CC[C@@H](NC(=O)Cn2ncn(C)c2=O)[C@H](C)C1 942199949 IHHSZPARGFKJEX-CHWSQXEVSA-N 305.382 -0.568 30 20 DBED CN1CCN(CC(=O)N(C)[C@@H]2CCCN(CC#N)CC2)CC1=O 948560878 GVLRCGNFNPKLHN-CQSZACIVSA-N 321.425 -0.403 30 20 DBED C=CCN1CCOC2(CCN(C(=O)[C@@H]3CN(C)C(=O)N3)CC2)C1 949433284 MUDREFNYGULXJS-ZDUSSCGKSA-N 322.409 -0.111 30 20 DBED O=C(Cn1ncnn1)N[C@@H]1CCCN(C(=O)C#CC2CC2)C1 950760949 CBDZIEMXKRAHCO-GFCCVEGCSA-N 302.338 -0.806 30 20 DBED N#Cc1cc(C(=O)N2CC[C@H]3CCN(C(=O)C(N)=O)C[C@@H]32)c[nH]1 953450519 UBTNKNIDKQCDIX-SKDRFNHKSA-N 315.333 -0.565 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N(C)C(=O)c2cnnn2C)C1 954187010 AUHOSYMNCQYLJH-YPMHNXCESA-N 319.365 -0.311 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2cnon2)C1 955092305 XZJQKKKTBJYBIK-ZDUSSCGKSA-N 317.349 -0.550 30 20 DBED CCN(C(=O)c1nc(O)nc(O)c1OC)C1CN(CC#N)C1 957132884 ZVYPRVFIVXMYQR-UHFFFAOYSA-N 307.310 -0.434 30 20 DBED C=CCN1C[C@H](CNC(=O)c2cnn3ccncc23)[C@@H](O)C1 958145559 MYIIFEMNPQCAQT-FZMZJTMJSA-N 301.350 -0.062 30 20 DBED C=CCN1C[C@H](CNC(=O)c2ccnn2CCOC)[C@@H](O)C1 958171974 OFHZUQXWHVHVIY-JSGCOSHPSA-N 308.382 -0.262 30 20 DBED CCc1nnc(C)cc1C(=O)NC[C@@H]1CN(CC#N)C[C@H]1O 958195869 LSHHXHRXIGGKRF-BXUZGUMPSA-N 303.366 -0.107 30 20 DBED C=CCN1C[C@H](CNC(=O)c2cc(C(N)=O)cn2C)[C@@H](O)C1 958218113 ABJXMBUEZNOBCL-AAEUAGOBSA-N 306.366 -0.668 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](NC(=O)CN2CCCC2=O)[C@H](C)C1 958368321 PIGFAGUDMOIJFP-QJPTWQEYSA-N 306.366 -0.268 30 20 DBED C=CCN1C[C@@H](O)[C@@H](CNC(=O)c2c(C)nn(C)c2OC)C1 958450126 YJTSQEJADFOZHT-NWDGAFQWSA-N 308.382 -0.054 30 20 DBED C#CCN1C[C@H](CNC(=O)c2ccc3oc(O)nc3n2)[C@@H](O)C1 958580985 LTGVUFIBVIFVND-ONGXEEELSA-N 316.317 -0.416 30 20 DBED Cn1nnc(CN2C[C@H]3C(NC(=O)c4c[nH]c(C#N)c4)[C@@H]3C2)n1 958617023 AJVLCBIIJSZOJZ-GHMZBOCLSA-N 312.337 -0.730 30 20 DBED Cc1cc(C(=O)NC[C@H]2COCCN2C(=O)[C@@H](C)C#N)n[nH]1 964095205 TZSVGNLHCGRACK-ONGXEEELSA-N 305.338 -0.165 30 20 DBED CN1CCC[C@@H]1C(=O)NC[C@H]1COCCN1C(=O)C#CC1CC1 964124326 VRHZDRRQHHMSML-LSDHHAIUSA-N 319.405 -0.162 30 20 DBED Cn1cnc(C(=O)NC[C@@H]2COCCN2C(=O)C#CC2CC2)n1 964191880 UPIBKZIBYWRUPQ-GFCCVEGCSA-N 317.349 -0.814 30 20 DBED C[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1NC(=O)C1CS(=O)(=O)C1 966408075 KMIOAGNXPXOMLM-GWCFXTLKSA-N 324.402 -0.593 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](NCc2nnc3n2CCOC3)C1 967942758 GARMZGRDBAXSKX-GHMZBOCLSA-N 304.354 -0.342 30 20 DBED C#Cc1ccc(C(=O)N2[C@H]3CC[C@H]2CN(C(=O)C(N)=O)C3)cn1 969497250 JCDMEVXMGYHOLK-STQMWFEESA-N 312.329 -0.636 30 20 DBED C=CCN(C)[C@@H]1CCN(C(=O)CN2CCCS2(=O)=O)C1 971642848 VLVWORBLKVYCMM-GFCCVEGCSA-N 301.412 -0.259 30 20 DBED C=CCCn1cc(C(=O)N2CC[C@H](N(C)[C@@H](C)C(N)=O)C2)nn1 972516307 LLYONAPBUWGBTF-RYUDHWBXSA-N 320.397 -0.126 30 20 DBED C#Cc1cncc(C(=O)N[C@H]2C[C@H](NC(=O)Cn3cncn3)C2)c1 973545348 MQLBHLFKPFYUOX-HDJSIYSDSA-N 324.344 -0.268 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)Cn3ncnn3)C2)cc1 974166044 MOFAFYMGKFOQOW-OKILXGFUSA-N 324.344 -0.268 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)CCn3cncn3)C[C@H]21 974977066 ZSBTTYPBEYGPHN-YNEHKIRRSA-N 316.365 -0.113 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]1CN(C)C(=O)c1nccnc1N 977485579 ISHOUZHRUXRVKS-VHSXEESVSA-N 302.338 -0.109 30 20 DBED Cn1cc(C(=O)N[C@@H]2CN(CC#N)CC2(C)C)c(O)nc1=O 977587362 HDOQGFNYIAUSGP-SNVBAGLBSA-N 305.338 -0.550 30 20 DBED C=C(C)CN[C@@H]1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)[C@@H]1C 986332126 KILXTTVNKSGSDK-CHWSQXEVSA-N 320.393 -0.298 30 20 DBED C[C@H]1C[C@H](NCC#N)CN1C(=O)Cn1nc2ccccn2c1=O 989261951 UHGPYRKNAKABLE-RYUDHWBXSA-N 314.349 -0.401 30 20 DBED CN1CC(=O)N(CC(=O)N[C@]23CCC[C@H]2N(CC#N)CC3)C1=O 992475097 NCGKNQQKEUTWJB-ABAIWWIYSA-N 319.365 -0.483 30 20 DBED C#CCN1CCC[C@@H](NC(=O)CN2CCN(C)C(=O)C2)[C@@H]1C 993520525 MNFBENRSAOGAAV-UONOGXRCSA-N 306.410 -0.637 30 20 DBED C=C(C)CNC1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)CC1 997054280 PYSPJQMXWCXACK-UHFFFAOYSA-N 320.393 -0.146 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCC1CN(C(=O)Cn2cncn2)C1 1004541687 QDKSQPYXPXQAKI-OLZOCXBDSA-N 319.365 -0.556 30 20 DBED COCC(=O)N1CCO[C@@H]([C@@H](C)NC(=O)c2ccc(C#N)[nH]2)C1 1009615403 XSCRCYKMBGGUKD-ZWNOBZJWSA-N 320.349 -0.122 30 20 DBED C[C@@H]1[C@H](NC(=O)Cn2ncnn2)CCCN1C(=O)C#CC1CC1 1014962887 NQHFODMYNCYXEB-DGCLKSJQSA-N 316.365 -0.418 30 20 DBED C#CCCN1CCC2(CC1)C[C@@H]2NC(=O)CN1CC(=O)NC1=O 1016878914 AQEASFLIEAGSNZ-LBPRGKRZSA-N 318.377 -0.468 30 20 DBED Cn1cc(C(=O)N2CCC3(CN(C(=O)C#CC4CC4)C3)C2)nn1 1019010063 CKOQJYNVRWCOFD-UHFFFAOYSA-N 313.361 -0.097 30 20 DBED C#Cc1ccc(C(=O)N2CC3(CCN(C(=O)C(N)=O)C3)C2)cn1 1019236549 RQZMORAWCRSUGU-UHFFFAOYSA-N 312.329 -0.777 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)C2CC(=O)NC(=O)C2)[C@@H]1C 1020535277 FEAYIFHMDGKPQI-QXEWZRGKSA-N 320.349 -0.696 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)c2cc(C(N)=O)c[nH]2)[C@@H]1C 1020536922 HBAZTWLIWQFNPA-QXEWZRGKSA-N 317.349 -0.008 30 20 DBED C=C(C)CN[C@H]1C[C@H](NC(=O)c2c[nH]nc2S(N)(=O)=O)C1 1020570505 KAOXVNDONDBPJT-KYZUINATSA-N 313.383 -0.516 30 20 DBED Cc1nn(C)cc1C(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1O 1023217949 ICGWAFAYEGDDOE-XXILOJSOSA-N 305.338 -0.810 30 20 DBED Cn1cc(C(=O)NC2CCC(NCC#N)CC2)c(O)nc1=O 1026604897 WLTKTQWPNAJBKT-UHFFFAOYSA-N 305.338 -0.360 30 20 DBED C#CCCN1CCC[C@H]1CNC(=O)[C@@H]1Cc2cncn2C(=O)N1 1028043820 XYHRQVXPMOENRC-JSGCOSHPSA-N 315.377 -0.031 30 20 DBED Cn1nnnc1CN1CC[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 1028471436 YQMMTFGIFVGZEG-JTQLQIEISA-N 314.353 -0.338 30 20 DBED C=C(Br)CN1CC(CNC(=O)[C@@H]2CNC(=O)N2)C1 1031945337 UTSIQEGIGHZAMI-VIFPVBQESA-N 317.187 -0.376 30 20 DBED C=CCN1CC[C@H](N2C[C@@H]3C[C@H]2CN3C(=O)c2cnn[nH]2)C1=O 1032494670 VRJXBYMDBYTSEY-GVXVVHGQSA-N 316.365 -0.510 30 20 DBED CCN(C(=O)c1cnc(O)n(C)c1=O)[C@H]1CCN(CC#N)C1 1033918999 IAOKOLJBTHZSDN-JTQLQIEISA-N 305.338 -0.454 30 20 DBED C#CCCN1CCCC[C@@H](NC(=O)Cn2ncn(C)c2=O)C1 1034279189 JQJPCLLOXMLACL-CYBMUJFWSA-N 305.382 -0.424 30 20 DBED Cn1nc2c(c1C(=O)NC[C@H]1CN(CC#N)CCO1)CCC2 1035576887 JGJMSTJJDJTURA-NSHDSACASA-N 303.366 -0.137 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@H]3[C@H](CCN3CC(N)=O)C2)c1 1036679066 ARWPSIPKAIYXJO-YPMHNXCESA-N 301.350 -0.092 30 20 DBED CS(=O)(=O)CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)c1cc(C#N)c[nH]1 1037353968 NOJFZIMOQGHOLR-WXHSDQCUSA-N 322.390 -0.267 30 20 DBED CC(C)C#CC(=O)NC[C@@]1(O)CCN(C(=O)c2cnn[nH]2)C1 1039665014 CAKPUNWDUHVLLB-AWEZNQCLSA-N 305.338 -0.843 30 20 DBED C=CCO[C@@H](C)C(=O)NC[C@@]1(O)CCN(C(=O)c2cc[nH]n2)C1 1040161440 MJUHYDWFIFFWRE-NHYWBVRUSA-N 322.365 -0.306 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@]1(O)CCN(C(=O)C(C)C)C1 1040183833 FBQKDFWCBDXCAU-YOEHRIQHSA-N 321.421 -0.180 30 20 DBED C=CCC1(C(=O)NC[C@]2(O)CCN(C(=O)C(N)=O)C2)CCCC1 1040275749 RYVZKJGZCAKMKA-MRXNPFEDSA-N 323.393 -0.312 30 20 DBED C#Cc1ccc(C(=O)NC[C@]2(O)CCN(C(=O)COC)C2)cn1 1040437067 UWTYEDZLKYLATK-MRXNPFEDSA-N 317.345 -0.598 30 20 DBED C#CCCCC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2CCNC2=O)C1 1040486744 WFAVIZGOBPMWCI-WBMJQRKESA-N 321.377 -0.994 30 20 DBED C[C@@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)c2ccc(O)nc2)C1 1040761523 UCCLHVCLTJYVDJ-ZUZCIYMTSA-N 318.333 -0.360 30 20 DBED N#Cc1cnc(N2C[C@@H](O)[C@H](NC(=O)c3cnco3)C2)cn1 1041267593 YSKMSBCNEYVVAS-NXEZZACHSA-N 300.278 -0.684 30 20 DBED C=CCN1CC[C@@]2(CCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C2)C1 1041716648 BKKXIDTYAMSACC-XHDPSFHLSA-N 306.366 -0.305 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)[C@H]2CCCOC2)C1 1043039935 KOGZNBNNTYSKMC-STQMWFEESA-N 324.377 -0.859 30 20 DBED C=CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)c2ncccn2)C1 1043568718 BMQQGOXCIQMFKO-LLVKDONJSA-N 320.349 -0.629 30 20 DBED C#CCCN1CC(N(C)C(=O)Cc2c(C)nc(O)nc2O)C1 1044082591 JGANBAUPMSVPFQ-UHFFFAOYSA-N 304.350 -0.095 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)[C@@H](C)NC(C)=O)C1 1044478882 OBAYKWUHWNTDEE-SNVBAGLBSA-N 311.382 -0.587 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)/C=C\c2ccc[nH]2)C1 1045540811 MARMNGBBUXKFCK-WYGGZMRJSA-N 302.334 -0.123 30 20 DBED COCCC(C)(C)C(=O)N1CC(O)(CNC(=O)[C@@H](C)C#N)C1 1045547174 WMUQQHHXCAYWDM-NSHDSACASA-N 311.382 -0.102 30 20 DBED Cn1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)N3CC#N)c(O)nc1=O 1045889938 FAMZNHCIXNPFOK-MNOVXSKESA-N 317.349 -0.312 30 20 DBED CCCCN1CCOC[C@@H]1C(=O)N(C)[C@H]1CN(CC#N)C[C@@H]1O 1047473758 XIEXJLMUKFQTIK-ZNMIVQPWSA-N 324.425 -0.486 30 20 DBED COC[C@@H](C)C(=O)N(C)[C@H]1CN(C(=O)C#CC(C)C)C[C@@H]1O 1048547080 CJIDVRSYPKDSAF-RDBSUJKOSA-N 310.394 -0.042 30 20 DBED C=CCN1C[C@H]2CN(C(=O)CN3CCCS3(=O)=O)C[C@H]2C1 1048849583 MPSHOGJYUBCNNW-BETUJISGSA-N 313.423 -0.402 30 20 DBED Cc1nc(C)c(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)C#N)C2)[nH]1 1049401460 FNCIYYYZQZPHKS-ZHAHWJHGSA-N 319.365 -0.170 30 20 DBED C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)CN1C(=O)CN(C)C1=O 1049883006 GMMMIXLWBDRTHI-CHWSQXEVSA-N 318.377 -0.421 30 20 DBED N#Cc1ccc(N2CC[C@H](NC(=O)c3cnon3)[C@@H](O)C2)nn1 1051717779 JNAZCWKIRJYWIZ-ONGXEEELSA-N 315.293 -0.899 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)C[C@@H]1CCN(C)C1=O)CCO2 1053298160 IXGOBZLBDBZHBP-AWEZNQCLSA-N 319.405 -0.209 30 20 DBED C=CCN1CC2(C1)CN(C(=O)[C@H]1C[C@H]1C(=O)N(C)C)CCO2 1053430056 JRNIBTHUDBWQMS-OLZOCXBDSA-N 307.394 -0.190 30 20 DBED N#CCN1CC2(CC[C@@H](CNC(=O)c3cc[n+]([O-])cc3)O2)C1 1053569126 TTYSINKZAKQZAR-ZDUSSCGKSA-N 302.334 -0.193 30 20 DBED C=CCCN1CC2(C[C@@H](NC(=O)CN3CCOCC3=O)CO2)C1 1053830444 AXDHGPAZQLEIQB-CYBMUJFWSA-N 323.393 -0.619 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)CN3C(=O)CCC3=O)CO2)C1 1054003831 BRSGYNWAQIRQAL-LBPRGKRZSA-N 319.361 -0.882 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)[C@@H]3CCc4c[nH]nc4C3)CO2)C1 1054014202 JOYKJXJSHORLQN-YPMHNXCESA-N 315.377 -0.002 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)c3cn(C)c(=O)n3C)CO2)C1 1054019333 UGNDJELTYNBWFB-LBPRGKRZSA-N 318.377 -0.680 30 20 DBED C#CCN[C@@H]1CN(C(=O)Cn2nc3ccccn3c2=O)C[C@H]1C 1054951351 LZZMUJHOXQQRJH-CHWSQXEVSA-N 313.361 -0.434 30 20 DBED CC(C)C#CC(=O)N1C[C@H]2CN(C(=O)c3cnn[nH]3)C[C@H]2C1 1055329484 QLDMODSMAMSCRQ-TXEJJXNPSA-N 301.350 -0.006 30 20 DBED N#Cc1ccc(N2CCN(C(=O)C[C@@H]3CCNC3=O)CC2)nn1 1055924912 XUGSVSRAEAVFOY-NSHDSACASA-N 314.349 -0.477 30 20 DBED N#Cc1nc(=N[C@@H]2CCN(C(=O)CO[C@H]3CCOC3)C2)cc[nH]1 1056705539 BQFYKWSYFSKKDU-NEPJUHHUSA-N 317.349 -0.412 30 20 DBED Cc1cnc(C(=O)N(CCO)CCNC(=O)C#CC(C)C)cn1 1056849226 ZPBNHYCIKUGDHT-UHFFFAOYSA-N 318.377 -0.005 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)c1ccnc(O)c1 1057194088 XZPREOAKZQPVML-UHFFFAOYSA-N 323.349 -0.460 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H]1CCCN(C(=O)Cn2ncnn2)C1 1057698106 QEBCGMHJKRFKHX-GFCCVEGCSA-N 312.337 -0.535 30 20 DBED N#Cc1nccc(N2CCC(NC(=O)[C@@H]3CCNC3=O)CC2)n1 1057924755 DADLHQNJIOHNJP-LLVKDONJSA-N 314.349 -0.431 30 20 DBED C=C(C)C[C@@H](C)C(=O)N(CCO)CCNC(=O)CNC(N)=O 1058462280 OPSYXDMBOOWRAW-LLVKDONJSA-N 314.386 -0.806 30 20 DBED N#Cc1cnc(N2CC[C@H](NC(=O)[C@H]3CCNC3=O)C2)cn1 1058508275 YLRNADSEEVEODU-ONGXEEELSA-N 300.322 -0.821 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)c1ncccn1 1058520705 SEMMCQBHTVMYDJ-UHFFFAOYSA-N 308.338 -0.770 30 20 DBED C[C@H](C#N)C(=O)N(C)Cc1ccccc1CNC(=O)C(N)=O 1060517615 DEJDDEZQBAHERT-SNVBAGLBSA-N 302.334 -0.094 30 20 DBED C=CCn1cc(C(=O)N2CCOC[C@H]2CNC(=O)COC)nn1 1061204171 POEURZLQUHIEQT-LLVKDONJSA-N 323.353 -0.932 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)CCc1nc[nH]n1 1061484915 XDXPSOIYNAHQNF-WDEREUQCSA-N 320.353 -0.759 30 20 DBED C#CCCCC(=O)NC[C@H]1COCCN1C(=O)c1ncn(C)n1 1061540567 NORWVVUBHGAADA-LBPRGKRZSA-N 319.365 -0.424 30 20 DBED C=CCO[C@@H](C)C(=O)NC[C@@H]1COCCN1C(=O)c1cn[nH]c1 1061667522 HNUCCBSRWRWPMD-WCQYABFASA-N 322.365 -0.042 30 20 DBED COc1cc(C(=O)N2CCOC[C@H]2CNC(=O)[C@@H](C)C#N)on1 1061849155 ZXYKPWGGMODRAY-VHSXEESVSA-N 322.321 -0.200 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCC[C@@H]1CNC(=O)C(N)=O 1062240506 ZEDFRFKCRANIIO-UPJWGTAASA-N 323.393 -0.050 30 20 DBED NC(=O)NCCC(=O)NC1(CNC(=O)C#CC2CC2)CCC1 1062980502 XZCZIUHICZODGP-UHFFFAOYSA-N 306.366 -0.387 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H]1CN(C(=O)CC(C)C)CCO1 1064781590 PGPCKFMGICNMGW-CYBMUJFWSA-N 323.393 -0.484 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)[C@@H]2COCCO2)CCO1 1064881310 ROHNNKNZPYSXIK-KGLIPLIRSA-N 324.377 -0.595 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@H]1CN(C(=O)c2cc[nH]n2)CCO1 1064887018 BHHGCTLGKBHCCI-XHDPSFHLSA-N 322.365 -0.306 30 20 DBED C=CCCC(=O)N1CCO[C@H](CNC(=O)CS(C)(=O)=O)C1 1064955837 MCLGOUZZWBDPQN-LLVKDONJSA-N 318.395 -0.659 30 20 DBED C#CCNC(=O)CC(=O)N1CCO[C@@H](CNC(=O)CC(C)C)C1 1065064025 RIPDHVPICVSMGH-ZDUSSCGKSA-N 323.393 -0.484 30 20 DBED Cn1cnc(C(=O)N[C@]2(C)CCN(c3cnc(C#N)cn3)C2)n1 1065247610 GPJGIYIULPHGPW-CQSZACIVSA-N 312.337 -0.124 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@@H](NC(=O)[C@H](C)OC)CC1 1065926798 CEPLCHIZCVRPQL-QWHCGFSZSA-N 323.393 -0.342 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC[C@H](NC(=O)CC(N)=O)CC1 1066015369 SDEMXPWXVNSZPF-NEPJUHHUSA-N 309.366 -0.603 30 20 DBED N#Cc1ccc(NC[C@H]2C[C@H](NC(=O)[C@H]3CNC(=O)N3)C2)cn1 1068573655 SHWNKXRQAQXSNC-OASPWFOLSA-N 314.349 -0.059 30 20 DBED C=CCO[C@H](C)C(=O)NC1(CC)CCN(C(=O)C(N)=O)CC1 1069579073 MDFUWYUXOWACQJ-LLVKDONJSA-N 311.382 -0.050 30 20 DBED N#CCN1CCn2ncc(CNC(=O)[C@H]3CCNC(=O)C3)c2C1 1069856846 NTKJGRHBLQTZBX-NSHDSACASA-N 316.365 -0.635 30 20 DBED C#CCN1CCn2ncc(CNC(=O)c3cn(CC)nn3)c2C1 1069879302 HBIRYBYWZLHOBL-UHFFFAOYSA-N 313.365 -0.127 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2coc(OC)n2)C1 1069989255 IQDKGIOAPIKBKH-PWSUYJOCSA-N 316.321 -0.437 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)c2cn[nH]c2)CCOCC1 1070231536 YUQJOXRRHQWJAX-JTQLQIEISA-N 305.338 -0.035 30 20 DBED C=CCOCC(=O)N1CCC[C@@H](NC(=O)[C@H]2CCNC2=O)C1 1070554386 OLAUQUKEGLCNDE-NEPJUHHUSA-N 309.366 -0.568 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H](NC(=O)CCn2ccnn2)C1 1071229674 WTORNAQYFZFBQG-NWDGAFQWSA-N 304.354 -0.065 30 20 DBED C[C@H]1CN(C(=O)Cc2nc[nH]n2)C[C@@]2(CCN(CC#N)C2)O1 1071232010 XUWUWPDVOJMGKA-FZMZJTMJSA-N 304.354 -0.437 30 20 DBED C#CCCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)CNC(=O)NC)C1 1071996187 OXLNEFVLZYEIJS-NEPJUHHUSA-N 308.382 -0.318 30 20 DBED C#CCCN1C[C@H](NC(=O)c2cn(CC(N)=O)nn2)CC[C@H]1C 1072099350 PRIWSTBXFJVXOQ-VXGBXAGGSA-N 318.381 -0.631 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(O)(CNC(=O)c2ncc[nH]2)CC1 1074705211 ORURCAIVQNYFRW-JTQLQIEISA-N 305.338 -0.347 30 20 DBED C=CCOCC(=O)NCC[C@H](C)NC(=O)c1cc(C(N)=O)c[nH]1 1075918915 MBRDBAPIDMHTPI-JTQLQIEISA-N 322.365 -0.059 30 20 DBED C=CCN1C[C@@H]2CCN(C(=O)CC[C@@H]3NC(=O)NC3=O)[C@@H]2C1 1076547735 ILQJGPQOACRHKR-SDDRHHMPSA-N 306.366 -0.307 30 20 DBED Cc1nc(C(C)C)nc(O)c1C(=O)N[C@@H]1CN(CC#N)C[C@H]1O 1077492359 FYQAGUWMHUGYJS-GHMZBOCLSA-N 319.365 -0.088 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H](C)CCNC(=O)CCn1cnnn1 1078025792 WUROCSDHFSHFBZ-NWDGAFQWSA-N 324.385 -0.335 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2c[nH]nc2-c2ccco2)C1 1078201801 PDAOTXFUXJEQMM-GHMZBOCLSA-N 301.306 -0.032 30 20 DBED N#CCN[C@@H]1C[C@H](NC(=O)CN2CCOCC2=O)C12CCC2 1078648387 ZBSGNHZZNCHGRQ-NEPJUHHUSA-N 306.366 -0.614 30 20 DBED C=CCCOCC(=O)N(CC)C1CN(C(=O)Cn2cnnn2)C1 1079976301 CUJOTGSKHIJDKO-UHFFFAOYSA-N 322.369 -0.675 30 20 DBED CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)[C@@H]2CCCNC2=O)C1 1080417247 ZEODEPOTQGVAQR-ZYHUDNBSSA-N 306.366 -0.268 30 20 DBED CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)c2cn(C)c(=O)n2C)C1 1080419597 CFXDTFZFJLTFOH-JTQLQIEISA-N 319.365 -0.444 30 20 DBED C[C@@H](C#N)C(=O)NC1(CO)CCN(C(=O)c2cn(C)cn2)CC1 1080979793 AYCGSBDLFXXBFS-NSHDSACASA-N 319.365 -0.337 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(C(=O)Cn2ccnc2)C[C@H]1O 1081473561 HZMGELXMASPXKP-ZIAGYGMSSA-N 316.361 -0.768 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@H](CNC(=O)C2(C(N)=O)CC2)C1 1081714165 UIYOSJYVUNTAHQ-MNOVXSKESA-N 309.366 -0.846 30 20 DBED C#CCCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CCN(C)C)C1 1081729034 FGUJWUJKLSVCNA-UONOGXRCSA-N 309.410 -0.323 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1cnc2c(c1)ncn2C 1082017597 PUSUCWFSFXKQPL-CHWSQXEVSA-N 314.349 -0.079 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(C[C@H](C)O)C[C@H]2OC)cn1 1082333537 MVGIRTCTSAUCKY-NILFDRSVSA-N 303.362 -0.127 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CCN(C)C1=O 1083168004 IUTAAFCHIAULQQ-HZSPNIEDSA-N 305.378 -0.600 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCCCN2C(=O)CC)C1 1083484280 BZZPZGBWOHAIGJ-ILXRZTDVSA-N 321.421 -0.038 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2cc3c(nc2O)CCC3)C1 1084055241 HCBQXLZOHVQPGK-OLZOCXBDSA-N 302.334 -0.426 30 20 DBED CN(C[C@@H]1CCN1CC#N)C(=O)[C@@H]1CCc2nnc(O)n2C1 1085680950 PXUVKBHWDKYSSQ-MNOVXSKESA-N 304.354 -0.398 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CC[C@H](C)N(c2nccnc2C#N)C1 1089130009 SYSFZYIHYPOJIN-WDEREUQCSA-N 316.365 -0.042 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CC[C@@H](C)N(c2ccnc(C#N)n2)C1 1089130614 XHXFTVUZHQMZMG-GHMZBOCLSA-N 316.365 -0.042 30 20 DBED C[C@H]1[C@@H](N=c2cc[nH]c(C#N)n2)CCN1C(=O)[C@H](C)CC(N)=O 1090239929 WXGGCCBVGNQOBB-VWYCJHECSA-N 316.365 -0.317 30 20 DBED CNC(=O)NCC(=O)N1CC[C@H](Nc2cncc(C#N)n2)[C@@H]1C 1090245957 IULXQNLMSHUGQN-ONGXEEELSA-N 317.353 -0.321 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2cn(C)nc2COC)[C@H](O)C1 1090371567 LRIZYUCXHTWSPA-DZGCQCFKSA-N 320.393 -0.245 30 20 DBED CC(C)(O)CC(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@H]1O 1090413686 WPFPWAVKXPPNSB-DGCLKSJQSA-N 304.350 -0.220 30 20 DBED C=CCN1CC[C@@H](NC(=O)c2cc(=O)c(OC)co2)[C@H](O)C1 1090432007 HECNRZISTPXHDI-ZYHUDNBSSA-N 308.334 -0.001 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2cnc(OC)nc2)[C@H](O)C1 1090697177 DEBBWKJPLKHEPW-CHWSQXEVSA-N 304.350 -0.327 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(c2ncc(F)cn2)C[C@H]1OC 1090921466 MCVKWBRQKTXFQO-CHWSQXEVSA-N 322.340 -0.025 30 20 DBED N#CCN1CC(OC2CCN(C(=O)[C@H]3COCCO3)CC2)C1 1093511437 WSZPTAAFILQGOK-CQSZACIVSA-N 309.366 -0.383 30 20 DBED CC(=O)N1CCO[C@@H](C(=O)NCCNc2cnc(C#N)cn2)C1 1093799244 OPDQJGGWCMVWRG-GFCCVEGCSA-N 318.337 -0.876 30 20 DBED C[C@@H]1C[C@@H](C(=O)NCCN=c2cc[nH]cc2C#N)CC(=O)N1 1093983410 ZQNVWFLOAFXBNM-GHMZBOCLSA-N 301.350 -0.182 30 20 DBED CN1CCO[C@@H](C(=O)NCCCN=c2cc[nH]c(C#N)n2)C1 1094349126 HSFOSYPVUANIKB-LLVKDONJSA-N 304.354 -0.981 30 20 DBED C=CCCN1CC(N2C[C@H](NC(=O)Cn3nccn3)CC2=O)C1 1094742041 MYLVHUIEKCSFJM-GFCCVEGCSA-N 318.381 -0.745 30 20 DBED Cn1cc(C(=O)N2C[C@H]3C[C@H](NCC#N)C[C@H]2C3)n(C)c1=O 1095065087 VGOAWADFMRSSMR-SDDRHHMPSA-N 303.366 -0.170 30 20 DBED CC(=O)NCC(=O)N1CC[C@H](N(C)c2cncc(C#N)n2)C1 1095089882 GYDOBCAJRZIGBO-LBPRGKRZSA-N 302.338 -0.479 30 20 DBED CNC(=O)CC(=O)N(C)C1CCN(c2nccnc2C#N)CC1 1096108183 MJQCGWIRHSYLSU-UHFFFAOYSA-N 316.365 -0.088 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H]1C[C@@H](Nc2ccc3nnnn3n2)C1 1097221021 JSQVPMMKEOKIAB-GARJFASQSA-N 315.337 -0.383 30 20 DBED C[C@H]1CCN(C(=O)C(=O)NC[C@H](C)N=c2cc[nH]c(C#N)n2)C1 1098039382 JDNWTTFYFSQPIB-QWRGUYRKSA-N 316.365 -0.445 30 20 DBED CC(=O)N1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC#N)C1 1098309942 PQRXBDOJHLWJGP-YIYPIFLZSA-N 306.366 -0.521 30 20 DBED C[C@H](CNC(=O)c1ccc(=O)n(C)c1)N=c1cc[nH]c(C#N)n1 1098400300 UVVSTEVTEPJXHJ-SNVBAGLBSA-N 312.333 -0.301 30 20 DBED C#CCN(CCO)C1CCN(C(=O)CCc2cnn[nH]2)CC1 1098482427 FZGIHNGYWDJFRP-UHFFFAOYSA-N 305.382 -0.344 30 20 DBED C=CCN(CCO)C1CCN(C(=O)C(=O)NCC2CC2)CC1 1098514257 MLZOBYFGQZHFGT-UHFFFAOYSA-N 309.410 -0.016 30 20 DBED CNC(=O)NCC(=O)N1CC[C@@H](CN=c2cc[nH]cc2C#N)C1 1098578967 JROHISIDOYCCJU-NSHDSACASA-N 316.365 -0.435 30 20 DBED N#CCNCc1cn([C@@H]2CCN(C(=O)c3cnns3)C2)nn1 1098626687 ZBAMFRVWJMTXER-SNVBAGLBSA-N 318.366 -0.170 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2cn(C)nc2C)[C@@H](O)C1 1099746870 PRTBZOZHVHETEV-CABCVRRESA-N 320.393 -0.457 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)c2cnc(C)[nH]2)C1 1100183200 IHIMEUMNUYETGD-UHFFFAOYSA-N 303.366 -0.434 30 20 DBED Cc1cc(C#N)nc(N(C)CCNC(=O)[C@@H]2CC(=O)N(C)C2)n1 1100383483 CFRJNEAGFMUQJX-LLVKDONJSA-N 316.365 -0.313 30 20 DBED CC(C)(C(N)=O)C(=O)NC[C@H]1CCCN1c1ccnc(C#N)n1 1100876627 GVKNLRPPWALURL-SNVBAGLBSA-N 316.365 -0.055 30 20 DBED Cc1cc(C#N)nc(N2CC[C@@H](CNC(=O)CNC(N)=O)C2)n1 1100927260 CBMLSABDWPKMCT-JTQLQIEISA-N 317.353 -0.733 30 20 DBED CS(=O)(=O)CC(=O)NC[C@@H]1CCN(c2cncc(C#N)n2)C1 1100961525 LEGAXTLJBUTVBK-JTQLQIEISA-N 323.378 -0.665 30 20 DBED N#Cc1cncc(N(CCNC(=O)[C@@H]2COCCO2)C2CC2)n1 1101285728 SLDSIULZCVQODS-ZDUSSCGKSA-N 317.349 -0.151 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)c2ccon2)C1 1101765257 DUXMFFLJXCMEIN-VXGBXAGGSA-N 304.350 -0.278 30 20 DBED CN(CCNc1cnc(C#N)cn1)C(=O)[C@H]1CCS(=O)(=O)C1 1101848566 AAILQZXEWULPAD-JTQLQIEISA-N 323.378 -0.347 30 20 DBED CC[C@@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)N=c1cc[nH]c(C#N)n1 1103261739 RUYNTMPTDPVYKA-UWVGGRQHSA-N 317.353 -0.900 30 20 DBED C#CCN1C[C@@H](C)[C@H](CCNC(=O)CN2C(=O)CCC2=O)C1 1103706907 RWBQDYUZTHODPK-CHWSQXEVSA-N 305.378 -0.157 30 20 DBED C=CCNC(=O)CNCC[C@@H]1CN(C(=O)CNC(C)=O)C[C@H]1C 1103826283 ZOVYWLZZLLBEIA-TZMCWYRMSA-N 324.425 -0.501 30 20 DBED CN(C)CCC(=O)NC[C@H]1CN(c2ccnc(C#N)n2)CCO1 1104347030 UJKIINXXDYIZIG-LBPRGKRZSA-N 318.381 -0.379 30 20 DBED CC(C)[C@H](CNC(=O)[C@H](C)NC(N)=O)Nc1ccc(C#N)nn1 1105178176 RCXLPULFNWICIU-ONGXEEELSA-N 319.369 -0.042 30 20 DBED Cc1cc(NC[C@@H](O)CNC(=O)[C@@H](C)C#N)n2ncnc2n1 1105773775 NCAHVDIGJQFSJU-WCBMZHEXSA-N 303.326 -0.519 30 20 DBED C[C@@H](C(=O)NC[C@H](O)CNc1ncccc1C#N)n1cncn1 1105828261 CEHIUVVHLXFWTF-CMPLNLGQSA-N 315.337 -0.305 30 20 DBED CN1CC[C@H](C(=O)NC[C@@H](O)CNc2cnc(C#N)cn2)C1 1105853755 QSCPRWUGJRRFAZ-JQWIXIFHSA-N 304.354 -0.811 30 20 DBED N#Cc1nccnc1NC[C@H](O)CNC(=O)CN1CCCC1 1105855738 KIDYNHNEWWYOKW-LLVKDONJSA-N 304.354 -0.667 30 20 DBED C[C@@]1(C(=O)NC[C@@H](O)CNc2cnc(C#N)cn2)CCOC1 1105939390 QDJQDIJHDDOROV-SMDDNHRTSA-N 305.338 -0.336 30 20 DBED C#CCOCCC(=O)NC[C@H](O)CNc1cncc(C#N)n1 1105970482 IFGRJLZYVXCSKO-GFCCVEGCSA-N 303.322 -0.723 30 20 DBED N#Cc1cnc(NC[C@@H](O)CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)cn1 1106110322 NHFWGXMPZVUTCS-LPWJVIDDSA-N 317.349 -0.195 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](O)CNC(=O)Cc2cnc[nH]2)n1 1106130853 YEKWUSXEBXDHFO-LBPRGKRZSA-N 315.337 -0.489 30 20 DBED CN(C)C(=O)CC(=O)NC[C@@H](O)CNc1ccc(C#N)nc1 1106134215 RRSJLMMXKCITJX-LBPRGKRZSA-N 305.338 -0.679 30 20 DBED C=CCn1cc(C(=O)N2C[C@@H](C)[C@H](CNCC(N)=O)C2)nn1 1106743665 QSFGBOMWKCWVDE-GHMZBOCLSA-N 306.370 -0.753 30 20 DBED CCN(CCNc1nc(C)cc(C#N)n1)C(=O)[C@H]1CNC(=O)N1 1106928895 VVLDORFLOAHYJN-LLVKDONJSA-N 317.353 -0.402 30 20 DBED CNC(=O)C1(C(=O)NC/C=C/CNc2ccc(C#N)nn2)CC1 1107252951 TYEVFZIVDQODHC-NSCUHMNNSA-N 314.349 -0.041 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)[C@H]2COCCN2CC)C1 1108039776 FZITWJSORNHSBY-ZBFHGGJFSA-N 309.410 -0.453 30 20 DBED CCc1nc(C#N)cc(NC[C@@H](C)NC(=O)[C@H]2C[C@H]2C(N)=O)n1 1108112101 YKNNZWFIAHISAP-IEBDPFPHSA-N 316.365 -0.051 30 20 DBED COCC#CCN1CC(N2C[C@@H](NC(=O)C3CCC3)CC2=O)C1 1108493168 HYVSQSBFGPAFCL-AWEZNQCLSA-N 319.405 -0.162 30 20 DBED CC#CCN1CC(N2C[C@H](NC(=O)[C@H](COC)OC)CC2=O)C1 1108569585 KWJSNIAQMDIQJP-OCCSQVGLSA-N 323.393 -0.928 30 20 DBED C[C@@H](CNc1cncc(C#N)n1)NC(=O)[C@H]1CCCNC1=O 1108570535 PIMMIIWPQODGTM-ONGXEEELSA-N 302.338 -0.209 30 20 DBED C[C@H](CN(C)c1ccnc(C#N)n1)NC(=O)[C@H]1CCCNC1=O 1109127891 BQPHDDAQXWAQKL-MNOVXSKESA-N 316.365 -0.185 30 20 DBED C#CCNC(=O)CC(=O)N(C)CCCN=c1cc[nH]cc1C#N 1109409212 QTZKLIREAZWMJN-UHFFFAOYSA-N 313.361 -0.225 30 20 DBED COC[C@H](OC)C(=O)N[C@H](CN=c1cc[nH]c(C#N)n1)C1CC1 1109974172 GMJSGCIDHUWYME-NEPJUHHUSA-N 319.365 -0.262 30 20 DBED C[C@H](NC(N)=O)C(=O)NCC1(Nc2ccnc(C#N)n2)CC1 1110104783 QTPKHGKGRMVRQG-QMMMGPOBSA-N 303.326 -0.534 30 20 DBED C=CCNC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CNC(C)=O 1110244965 WOHBQOFGCDHUPD-ASEORRQLSA-N 322.409 -0.465 30 20 DBED CC(C)OCC(=O)NC[C@]1(O)CCN(c2nccnc2C#N)C1 1111038372 YXSJIAHJMKUURI-OAHLLOKOSA-N 319.365 -0.169 30 20 DBED C[C@H](C#N)C(=O)NC[C@]1(O)CCN(c2nccnc2C#N)C1 1111041772 LMYJCLWKKCZGCO-QMTHXVAHSA-N 300.322 -0.435 30 20 DBED COC[C@@H](C)C(=O)N(C)[C@H]1CN(c2nccnc2C#N)C[C@@H]1O 1111175398 COXZDUYLLMZPQX-WXHSDQCUSA-N 319.365 -0.361 30 20 DBED Cc1cc(=NCCN(CCO)C(=O)CCN(C)C)c(C#N)c[nH]1 1111553810 UYPCSDOWVOOLRO-UHFFFAOYSA-N 319.409 -0.132 30 20 DBED C[C@@H]1CN(C(=O)CCNC(N)=O)C[C@@H]1Nc1cncc(C#N)n1 1112313464 YQQBNJAAGUHEQC-KOLCDFICSA-N 317.353 -0.335 30 20 DBED C[C@H]1COCC[C@@H]1C(=O)N1CCN(CC(=O)NCC#N)CC1 1113315943 ZGLHFOUJVNKXBX-STQMWFEESA-N 308.382 -0.557 30 20 DBED C=C(C)CCN1CCN(C(=O)[C@@H](CCC(N)=O)NC(C)=O)CC1 1113435546 NCYZXJHMIWSGHL-CQSZACIVSA-N 324.425 -0.133 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)c3ccccn3)[C@H]2C1 1113775135 PDZLOSYOAZZHDG-CXTNEJHOSA-N 312.373 -0.121 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3ccnn3C)[C@H]2C1 1113983519 QNVOICKKINPZON-YABSGUDNSA-N 303.366 -0.618 30 20 DBED CCc1nc(C(=O)NC2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]23)co1 1114161683 KVYYABZYAIIZKU-NXEZZACHSA-N 317.349 -0.463 30 20 DBED CCO[C@@H](C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21)C(C)C 1114249826 JNVXAPKGTAXROK-PAPYEOQZSA-N 322.409 -0.266 30 20 DBED Cn1nnnc1CN1C[C@@H]2C(NC(=O)C#CC(C)(C)C)[C@H]2C1 1114258317 PEQNUKBDWSKZAI-QWRGUYRKSA-N 302.382 -0.194 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)[C@@H]3CCO[C@H]3CC)[C@H]2C1 1114596732 CHMQKSOVPYACFU-RFGFWPKPSA-N 319.405 -0.403 30 20 DBED C=CCC[C@H](C)N1C[C@H]2C(NC(=O)CN3CCNC(=O)C3)[C@@H]2C1 1114662446 KNHSGDXVABXBCK-BFHYXJOUSA-N 320.437 -0.181 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)CNC(=O)C(C)(C)C)[C@H]2C1 1115231297 FYEDQVNDRKREJO-NHAGDIPZSA-N 321.421 -0.155 30 20 DBED C#CCN1C[C@@H]2C(NC(=O)CCNC(=O)c3cnccn3)[C@H]2C1 1115261248 MUSRJDVMDHXJBM-RYUDHWBXSA-N 313.361 -0.724 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)NCc1cc(C)on1 1117029864 AASHUCNUDUAQBF-UHFFFAOYSA-N 315.351 -0.684 30 20 DBED CS(=O)(=O)C1(CNC(=O)C(=O)NCCCC#N)CCC1 1117724971 CINYEBGXAZOBMA-UHFFFAOYSA-N 301.368 -0.510 30 20 DBED C=CCOCCNC(=O)C(=O)NCC1(OC)CCOCC1 1118623545 IHRZYFZUDXZSEN-UHFFFAOYSA-N 300.355 -0.383 30 20 DBED C[C@H](CN(C)C(=O)[C@@H]1CNC(=O)N1)Nc1ccc(C#N)nn1 1120633913 IYMWIRKTPWPCTQ-SCZZXKLOSA-N 303.326 -0.712 30 20 DBED Cc1cc(C#N)nc(N[C@H](CO)CNC(=O)Cc2ccon2)n1 1121257581 LEXUBGYTWOPKMS-LBPRGKRZSA-N 316.321 -0.224 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)Cn2ccnc2)nn1 1121717416 GGTVJWGVBPJZKM-LLVKDONJSA-N 301.310 -0.866 30 20 DBED CC[C@@H](NC(C)=O)C(=O)NC[C@H](CO)Nc1ccc(C#N)nc1 1122645236 YDRRPQPXCXUUKJ-ZIAGYGMSSA-N 319.365 -0.243 30 20 DBED Cc1nn[nH]c1C(=O)N(C)C[C@H](O)CNc1nccnc1C#N 1124634133 XGJDMUMREPMFSR-SECBINFHSA-N 316.325 -0.680 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)c1cnc(C)[nH]1 1124851207 UHSLPAHDQIDBFW-SECBINFHSA-N 322.369 -0.562 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H](C)NC(C)=O)C1 1128653334 XJUSPEZVXQGKKF-RTXFEEFZSA-N 306.370 -0.670 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)CCc2nc[nH]n2)C1 1128885817 AEJJIKIBRVEQDD-NEPJUHHUSA-N 316.369 -0.444 30 20 DBED CC(C)C#CC(=O)N1C[C@H](n2ccnn2)[C@H](NCCCO)C1 1129822045 CASBBVOBOCSDPJ-KGLIPLIRSA-N 305.382 -0.339 30 20 DBED C#CCCN1CC[C@@H](c2n[nH]cc2CNC(=O)CNC(N)=O)C1 1130342112 AOPTWSXKRZLHIK-LLVKDONJSA-N 318.381 -0.493 30 20 DBED C#CCN1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H](C)CC(N)=O)C1 1130416093 XAMVIOWMWODZSJ-NWDGAFQWSA-N 317.393 -0.040 30 20 DBED C#CCN1CCOC[C@@H]1c1n[nH]c(CNC(=O)CCCOC)n1 1130828008 AMWCWVHXSHRNBL-GFCCVEGCSA-N 321.381 -0.146 30 20 DBED CC#CCN1C[C@@H](F)C[C@@H]1c1n[nH]c(CNC(=O)C(N)=O)n1 1131159453 ZKNIRIKRKKXGKK-DTWKUNHWSA-N 308.317 -0.986 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H]2C[C@@H]3CN(CC)C[C@]2(C1)O3 1131217904 UBVYQOXMEYDUND-WOSRLPQWSA-N 305.378 -0.553 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCNC(=O)CCN(C(=O)CC)CC1 1131318767 PGMCADIINWGWAC-CYBMUJFWSA-N 322.409 -0.815 30 20 DBED COCCCCC(=O)N1CCC(=O)NCCN(CC#N)CC1 1131334016 JEAPEJYGMQUSFM-UHFFFAOYSA-N 310.398 -0.023 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2nonc2C)CC[C@H]1C 1132537721 QDTRPYNZAIOMLN-PWSUYJOCSA-N 319.365 -0.290 30 20 DBED COCCC(=O)N1CC[C@@H](C)[C@@H](CNCC(=O)NCC#N)C1 1132581462 ABVBHWPIPVFRDX-OLZOCXBDSA-N 310.398 -0.263 30 20 DBED C[C@@H]1CCN(C(=O)CN2CCCNC2=O)C[C@@H]1CNCC#N 1132950788 QRCZSTDFPVVDQQ-OLZOCXBDSA-N 307.398 -0.001 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)Cn1cccn1 1133675725 UWMHMSKHJGLDSN-CHWSQXEVSA-N 305.382 -0.495 30 20 DBED CC(C)CCn1cc(C(=O)NCCNCC(=O)NCC#N)nn1 1133750534 PGDYRUWDNQFOQJ-UHFFFAOYSA-N 321.385 -0.717 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)Cn1ccnc1C(C)C 1134575004 XOLPSRMSXANVES-CYBMUJFWSA-N 319.409 -0.150 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)c1nc(C)c[nH]1 1135052554 NHKGBPAOUQGGLJ-UHFFFAOYSA-N 306.370 -0.200 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)CC(=O)N(C)C 1135636385 TZTWQTSPROAXTL-NEPJUHHUSA-N 310.398 -0.913 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)[C@H](C)n1cncn1 1152834705 DIOKSDHOCHWLEU-OLZOCXBDSA-N 320.397 -0.585 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1cc(N(C)C)ccn1 1153350564 CIGNZGPPQFVVRT-GFCCVEGCSA-N 317.393 -0.395 30 20 DBED O=C(C[C@@H]1CC(=O)NC1=O)NCCNCC#Cc1ccccc1 1153882862 QCCRXQXCGMTFPZ-CQSZACIVSA-N 313.357 -0.203 30 20 DBED C#CCO[C@H](C)C(=O)NCCCNC[C@@H](C)CS(C)(=O)=O 1157880580 RUTMUGNLNBFBJL-CHWSQXEVSA-N 318.439 -0.199 30 20 DBED COCC#CCNCCCNC(=O)Cn1cc(C2CC2)nn1 1159832085 YXUANQQRGSSGDZ-UHFFFAOYSA-N 305.382 -0.099 30 20 DBED C#CCNC(=O)CNCCCNC(=O)Cc1cn(C)nc1C 1160054213 BKBPQUYZIGSEPT-UHFFFAOYSA-N 305.382 -0.884 30 20 DBED CC#CCN1CCC(CNC(=O)[C@@H]2CCNC2=O)(COC)CC1 1162392927 QZHZGBFQHYWBFM-CQSZACIVSA-N 321.421 -0.009 30 20 DBED CC#CCNCCCNC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O 1165731492 DEHIRMTYRJUGFW-AWEZNQCLSA-N 305.382 -0.424 30 20 DBED C=CCn1cc(C(=O)NCCCNCc2cn(CC)nn2)nn1 1167838263 AVVMKPSVRNHEQB-UHFFFAOYSA-N 318.385 -0.015 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)COc1cccnc1 1168459049 XWLFBWYKZSILOS-CYBMUJFWSA-N 318.377 -0.306 30 20 DBED C[C@H](CCCCNCC#N)NC(=O)CCNS(C)(=O)=O 1171075557 BAOAOCYRMJJAHL-LLVKDONJSA-N 304.416 -0.286 30 20 DBED C[C@@H](C(=O)NCCCNCC(=O)NCC#N)N1CCCCC1=O 1176851283 UVCQLVBJYVWQQC-LBPRGKRZSA-N 323.397 -0.877 30 20 DBED N#CCNC(=O)CNCCCN(CC1CCCC1)C(=O)C(N)=O 1177405863 PBZHTZMXACUPQP-UHFFFAOYSA-N 323.397 -0.890 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2snnc2C)[C@H]1C 1178099267 LQONLAMRARPFTL-QWRGUYRKSA-N 321.406 -0.211 30 20 DBED C[C@H]1[C@@H](NCC(=O)NC(N)=O)CCN1C(=O)c1ccc(C#N)[nH]1 1178481201 KHKHRNAMXGGWGW-WPRPVWTQSA-N 318.337 -0.726 30 20 DBED C[C@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)CC1(O)CCC1 1178641524 PCMSOMSOLQJSOC-RYUDHWBXSA-N 308.382 -0.490 30 20 DBED CCn1cnc(C(=O)N2CC[C@H](NCC(=O)NCC#N)[C@@H]2C)c1 1179933937 OCHSHCONJLZMJL-RYUDHWBXSA-N 318.381 -0.265 30 20 DBED C#CCNCCCCCCNC(=O)[C@H]1CCS(=O)(=O)N1 1180289405 CJSHCKTUFAXMFL-GFCCVEGCSA-N 301.412 -0.423 30 20 DBED C=CCNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)[C@@H](C)C#N)C1 1181652961 SESQNMSKKJHYMJ-WDEREUQCSA-N 307.354 -0.652 30 20 DBED C=C1CC(C)(C(=O)N2CC[C@@H](NCC(=O)NC(=O)NC)C2)C1 1185530485 BNXBNKAWJOSRAR-LLVKDONJSA-N 308.382 -0.011 30 20 DBED CN(CC(=O)NCC#N)[C@H]1CCN(C(=O)C[C@H]2COC(=O)C2)C1 1189652301 PRLUBSKAKALROU-NEPJUHHUSA-N 322.365 -0.888 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CN(CCn2cc(Cl)cn2)C[C@H]1O 1191872233 GFVOSHUNJINQPD-YUSALJHKSA-N 311.773 -0.143 30 20 DBED C#CCCCCCC(=O)N[C@@H]1CN([C@H](CC)C(N)=O)C[C@H]1O 1195307077 MUGNIUVMKKPVGU-MGPQQGTHSA-N 309.410 -0.005 30 20 DBED C=CCNC(=O)[C@H](C)N1CCCN(C(=O)CNC(=O)CC)CC1 1195356779 ZIMYTXURTZSMSZ-ZDUSSCGKSA-N 324.425 -0.262 30 20 DBED C=CCCCN1C[C@@H](O)[C@H](NC(=O)c2nc3ncccn3n2)C1 1197083837 SNDLKMCPGFYHBU-VXGBXAGGSA-N 316.365 -0.135 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCCN([C@H]2CCC(=O)NC2=O)CC1 1198343471 KTPDMNNTVJVSQV-STQMWFEESA-N 323.393 -0.083 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)C[C@H]2CCCO2)CC1 1199431724 PLERFNMXDJTBHY-CQSZACIVSA-N 307.394 -0.115 30 20 DBED C=CCOCC(=O)N1CCCO[C@@H](CNCc2cnon2)C1 1200109514 VSKOKLMTGFNWBL-ZDUSSCGKSA-N 310.354 -0.021 30 20 DBED COC1CC(C(=O)N2CCC(NCC(=O)NCC#N)CC2)C1 1201174685 ORQMFNBLNHMAKE-UHFFFAOYSA-N 308.382 -0.368 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CCN(C(=O)c2csnn2)CC1 1201870239 UJNYUVWOJPTSGR-SNVBAGLBSA-N 321.406 -0.130 30 20 DBED Cc1cc(NC(=O)C(=O)N2CCCO[C@H](CNCC#N)C2)no1 1202066838 BYLUZPLTUCBPQI-LLVKDONJSA-N 321.337 -0.348 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)[C@H](C)COC)CC1 1204771379 ATXHWZWVHBDGQX-CYBMUJFWSA-N 309.410 -0.154 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)c2cc(C)[nH]n2)[C@H](C)C1 1206266849 CKBGOMPWMOQHGM-SCDSUCTJSA-N 317.393 -0.094 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(Cc2ccnn2C)C[C@H]1C 1206887295 FOBNRLJJJPWZKG-TZMCWYRMSA-N 317.393 -0.504 30 20 DBED COCC#CCN[C@H]1CCCN(C(=O)[C@@H]2CCNC(=O)C2)C1 1207789978 PIXHGRNCZOKYHP-KGLIPLIRSA-N 307.394 -0.257 30 20 DBED C=CCN1C[C@@H](NC(=O)COCc2ncnn2C)[C@H](OC)C1 1213654417 VHSBHLLLJDPUFR-VXGBXAGGSA-N 309.370 -0.667 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(Cc2nc(COC)no2)C[C@@H]1O 1219532259 QWRDAQPXHWJJCQ-NEPJUHHUSA-N 322.365 -0.319 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2cnoc2C)C[C@@H]1O 1219609452 RRMRKDIBRBAXKM-KGLIPLIRSA-N 307.350 -0.316 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)COCc2nccn2C)C1 1219856790 BXSHAAJWJACSDH-OLZOCXBDSA-N 306.366 -0.879 30 20 DBED C=C(C)C[C@H](C)C(=O)N[C@@H]1CN(CCS(C)(=O)=O)C[C@@H]1O 1220201048 DTQVUTPRWQFELY-XQQFMLRXSA-N 318.439 -0.205 30 20 DBED C=CCN1CC[C@@H](N2CCC(CNC(=O)CC(N)=O)CC2)C1=O 1222695437 NCUYCPCJIBQZLL-CYBMUJFWSA-N 322.409 -0.523 30 20 DBED CC#CCN1CCC(CNC(=O)Cn2nc(C)n(C)c2=O)CC1 1225317695 LIQYPOLTLQNFRX-UHFFFAOYSA-N 319.409 -0.258 30 20 DBED COCC#CCN1CCC(NC(=O)CCn2cncn2)CC1 1226085066 DZKZWMQHKLZTQT-UHFFFAOYSA-N 305.382 -0.101 30 20 DBED C#CCNC(=O)CC(=O)NC1CCN(CCC[C@@H](C)O)CC1 1226962072 ZPUQVSMKHXVKOZ-CYBMUJFWSA-N 309.410 -0.133 30 20 DBED C#CCNC(=O)CN(C)CCCNC(=O)CCn1cccn1 1234099755 NBGUZADUFPXOAV-UHFFFAOYSA-N 305.382 -0.539 30 20 DBED COCC#CCN1CC[C@@H]1CN(C)C(=O)c1cncnc1O 1235650418 FUUQICYUYKGROR-GFCCVEGCSA-N 304.350 -0.022 30 20 DBED N#CCCN1CCN(C(=O)C(=O)NCCC2CCOCC2)CC1 1261938844 DGFROLDNNBQGPW-UHFFFAOYSA-N 322.409 -0.023 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCC[C@H](NC(=O)Cn2cncn2)C1 1266248129 FTHUDHZGYPIMTC-OLZOCXBDSA-N 320.397 -0.451 30 20 DBED C#CCN(CC1CC1)C(=O)C(=O)Nc1cnn(CC(=O)NC)c1 1320615057 KWWRFRSMKKFUNJ-UHFFFAOYSA-N 317.349 -0.561 30 20 DBED NS(=O)(=O)c1cc(C=NN2C(=O)CNC2=O)ccc1F 1323310156 HQKHCHAYWZWLFJ-UHFFFAOYSA-N 300.271 -0.641 30 20 DBED C#CCCCCNC(=O)C(=O)N1CCc2nn(C)c(=O)cc2C1 1323642100 CZAMMDAEICZTDV-UHFFFAOYSA-N 316.361 -0.415 30 20 DBED CC[C@H](C#N)NC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 1324007156 LVWRDJAWNRQWON-MXWKQRLJSA-N 313.379 -0.560 30 20 DBED CN1C[C@H](NC(=O)C(=O)NCc2ccc(C#N)cc2)CC1=O 1324461496 HJJZXFSTRFMGET-GFCCVEGCSA-N 300.318 -0.479 30 20 DBED C#CCOCCNC(=O)C(=O)NCCOc1ccccc1OC 1325349974 PJGOWONFBAHWBI-UHFFFAOYSA-N 320.345 -0.044 30 20 DBED N#CCCCNC(=O)C(=O)NC1CCN([C@@H]2CCC[C@@H]2O)CC1 1327121904 LCHBSOXIHGOARA-KGLIPLIRSA-N 322.409 -0.100 30 20 DBED N#CC[C@H]1CCCN(C(=O)C(=O)N2CCn3ncnc3C2)C1 1327690079 LSCZNKRIPAARSA-LLVKDONJSA-N 302.338 -0.227 30 20 DBED CCNC(=O)N1CC[C@H](NC(=O)C(=O)NCC2(CC#N)CC2)C1 1330210943 UWHYGYVOCSQSLL-NSHDSACASA-N 321.381 -0.284 30 20 DBED CC#CC[C@H](CO)NC(=O)CNS(=O)(=O)c1ccccc1 1332495196 ZWYOJOLIGXERIG-GFCCVEGCSA-N 310.375 -0.145 30 20 DBED C[C@@H](CNC(=O)C(=O)N1CCO[C@@H](C#N)C1)Cn1cccn1 1340710780 SFYYOZCAAQRIIE-RYUDHWBXSA-N 305.338 -0.614 30 20 DBED Cc1nc2n(n1)C[C@H](NC(=O)C(=O)N1CC[C@](F)(C#N)C1)CC2 1341738192 XMPHNFKXXMUERO-YGRLFVJLSA-N 320.328 -0.518 30 20 DBED C#CCCCc1nc(CC(=O)N2CCS(=O)(=O)CC2)no1 1343164157 SURFGISZSSTRFZ-UHFFFAOYSA-N 311.363 -0.175 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CCC[C@H]1C(=O)NC1CC1 1347038781 KIPSWDKOYHPRTR-PWSUYJOCSA-N 309.366 -0.427 30 20 DBED N#CC[C@]1(O)CCN(CC(=O)NCCCN2CCCC2=O)C1 1349111372 RXDCGCOKRZMKJC-HNNXBMFYSA-N 308.382 -0.534 30 20 DBED CN(C)c1ccc(NC(=O)Cn2cc(C#N)c(O)nc2=O)nc1 1361951819 IDXXHZUFNZPISR-UHFFFAOYSA-N 314.305 -0.080 30 20 DBED N#Cc1cn(CCC(=O)N[C@@H]2CCCOCC2)c(=O)nc1O 1362287857 SPUXWZHSFNOSMC-LLVKDONJSA-N 306.322 -0.104 30 20 DBED N#Cc1cn(CCC(=O)N[C@@H](CO)CC(F)F)c(=O)nc1O 1362329556 CAJDPXBRQKIGTI-MRVPVSSYSA-N 316.264 -0.657 30 20 DBED N#Cc1cn(CC(=O)N[C@@H]2CCC[C@@H]2CCO)c(=O)nc1O 1362711021 PSJNPFGDGGBTPU-MWLCHTKSSA-N 306.322 -0.512 30 20 DBED N#Cc1ncn(CC(=O)N2CC(=O)NC[C@@H]2c2ccccc2)n1 1363617760 AXPAUGLCGNMXQS-GFCCVEGCSA-N 310.317 -0.151 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H]1CNC(=O)C1(NC(N)=O)CC1 1387353235 PDODQVZMQGHBBH-UWVGGRQHSA-N 307.354 -0.546 30 20 DBED C[C@H](C#N)C(=O)NCC1CN(C(=O)c2cc3n(n2)CCO3)C1 1387927515 KTIHQJXHIOIFRV-SECBINFHSA-N 303.322 -0.377 30 20 DBED CC(=O)N[C@H](C)C(=O)N1CC2(CCN(C(=O)[C@@H](C)C#N)C2)C1 1405975273 KHQVKPLTEIHZBX-WDEREUQCSA-N 306.366 -0.268 30 20 DBED C[C@@H](CNC(=O)C(C)(C)NS(C)(=O)=O)NC(=O)[C@@H](C)C#N 1408180560 YDQHABINAZWWLG-IUCAKERBSA-N 318.399 -0.905 30 20 DBED CC(C)N(C)CCNC(=O)CCn1cc(C#N)c(O)nc1=O 1411777137 OIMLIFPNGISPDH-UHFFFAOYSA-N 307.354 -0.333 30 20 DBED C[C@@H](C#N)C(=O)NC1CN(CC(=O)NC(=O)NC(C)(C)C)C1 1443464578 RWSAXAFURJTCPE-VIFPVBQESA-N 309.370 -0.429 30 20 DBED C[C@H](C#N)C(=O)N1CCC(N(CCO)C(=O)[C@H]2CCOC2)CC1 1446191590 CPDGSEDBTYXEOC-OLZOCXBDSA-N 323.393 -0.006 30 20 DBED COC(=O)NCC(=O)N1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 1446950927 CHMPAZYRJRMMDT-JTQLQIEISA-N 319.321 -0.427 30 20 DBED CCN(CCC#N)C(=O)CN(C)[C@H](C)CNC(=O)c1cnn[nH]1 1448038628 IORZRPBBOPGOMP-LLVKDONJSA-N 321.385 -0.383 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@]1(C)CCN(C(=O)c2c[nH]c(=O)cn2)C1 1453978717 VIQGTOKDGLXQQQ-ZUZCIYMTSA-N 317.349 -0.102 30 20 DBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CCC(N)=O 1466064529 OGKFTBHPNPYPLV-JTQLQIEISA-N 302.338 -0.349 30 20 DBED C=C(C)CCN1CCC[C@H](NC(=O)CNC(=O)CNC(C)=O)C1 1479906342 XZKLEKBOKKGVGH-AWEZNQCLSA-N 324.425 -0.215 30 20 DBED N#Cc1ccc(C(=O)NC[C@@H](O)CNC(=O)[C@@H]2CCCO2)[nH]1 1501408714 CKPSBNNHALLMSF-PWSUYJOCSA-N 306.322 -0.728 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@@H](CCNC(=O)CNC(=O)O)C1 1573311149 ICYNTCUQZSQALC-VXGBXAGGSA-N 324.381 -0.780 30 20 DBED C[C@@H](C(=O)Nc1cccc(C#N)n1)n1cnc(-c2nn[nH]n2)n1 1573755548 DWRMKJJMLNXWRE-ZETCQYMHSA-N 310.281 -0.075 30 20 DBED C=CCN(C)C[C@@H](O)CN(C)C(=O)[C@@H](C)OCc1cnn[nH]1 1575100817 XJXMDJRMLGZLDE-DGCLKSJQSA-N 311.386 -0.353 30 20 DBED COC(=O)C1CCN(c2cnc(C#N)c(-c3nn[nH]n3)n2)CC1 1579442338 FHYJGONHMXKCIX-UHFFFAOYSA-N 314.309 -0.082 30 20 DBED C#C[C@@H](CO)NC(=O)C1=NN(c2ccccc2)[C@H](C(=O)O)C1 1588388751 ZMSADMKEUPJNHN-GWCFXTLKSA-N 301.302 -0.184 30 20 DBED C#CCN(CC(=O)O)C(=O)NCC1(S(C)(=O)=O)CCC1 1588408526 QUOORTPKRMMMPE-UHFFFAOYSA-N 302.352 -0.317 30 20 DBED C#CCN(CC(=O)O)C(=O)N[C@H]1CCOC[C@@H]1OCCOC 1588409941 MNRHDWXBBUDUMQ-RYUDHWBXSA-N 314.338 -0.464 30 20 DBED Cn1c(C#N)ccc1C(=O)NCCn1cnc(-c2nn[nH]n2)n1 1592545723 AWALIGOOZBVLCM-UHFFFAOYSA-N 312.297 -0.902 30 20 DBED N#Cc1nc(NC(=O)[C@H]2CCc3cncn3C2)[nH]c1-c1nn[nH]n1 1592683083 KFKWTAUNMSEHLX-ZETCQYMHSA-N 324.308 -0.141 30 20 DBED C=C(C)C[C@H](NS(=O)(=O)N=[S@@](C)(=O)N(C)C)C(=O)O 1602757704 TZVZSCFSHXSVGR-DCXZOGHSSA-N 313.401 -0.185 30 20 DBED C=CC[C@@H](C(=O)O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 1602835743 WJNUISCRVNRAGF-RYUDHWBXSA-N 302.396 -0.180 30 20 DBED COc1cc(C(=O)N2CC(=O)N(C)C[C@H]2C(=O)O)ccc1C#N 1607067924 DCFWJDZXXRGOHA-NSHDSACASA-N 317.301 -0.066 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N[C@@]2(C(=O)O)CCSC2)CCO1 1608179949 RAOHHZZORQSMDE-SCZZXKLOSA-N 321.380 -0.995 30 20 DBED CN1N=C(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[nH]2)CCC1=O 1609286064 LMCHMCORNLDLQZ-UHFFFAOYSA-N 314.269 -0.992 30 20 DBED Cn1c(-c2ccc(C#N)[nH]2)nnc1N1CCO[C@@H](C(N)=O)C1 1650491835 OHCHYFGWGZBVDR-SNVBAGLBSA-N 301.310 -0.628 30 20 DBED C=CCNC(=O)[C@H](C)N[C@H]1C[C@H](NC(=O)c2cnn(C)c2N)C1 1752628515 VSRBEUZVQDYTKG-DCAQKATOSA-N 320.397 -0.457 30 20 DBED C#CCNC(=O)CN[C@H](C)CNC(=O)c1cnn(CCC)c1 1752904938 ASQSYOBMOUIIOY-GFCCVEGCSA-N 305.382 -0.250 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H](C)CCNC(=O)c1cnc(C)n1C 1753012973 SWNIIDFVAUPAAF-NEPJUHHUSA-N 319.409 -0.036 30 20 DBED Cc1ccn(C[C@H](C)C(=O)N(C)CCNCC(=O)NCC#N)n1 1753195541 XYWYLEKCZDDGRP-LBPRGKRZSA-N 320.397 -0.485 30 20 DBED C#CCNC(=O)CN1CC(CNC(=O)CC2CCN(C)CC2)C1 1753411620 STFBSDQNUQELII-UHFFFAOYSA-N 320.437 -0.484 30 20 DBED C=CCNC(=O)CN1CC[C@@H](N(CC)C(=O)[C@H]2CCC(=O)N2)C1 1753452708 DFCLFNMOENEJAZ-CHWSQXEVSA-N 322.409 -0.510 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)Cc2nc[nH]n2)[C@@H](C)C1 1754603690 LFCXYSPHFLWGQW-QWHCGFSZSA-N 305.382 -0.034 30 20 DBED C#CCCN1CC[C@H](N2CCN(C(=O)[C@H](C)CC(N)=O)CC2)C1 1754662889 IREREFNSTAKFRD-CABCVRRESA-N 320.437 -0.260 30 20 DBED Cc1c(CC(=O)N[C@]2(CO)CCCN(CC#N)C2)cnn1C 1754857105 ZNNRTLCXXAFQHR-OAHLLOKOSA-N 305.382 -0.262 30 20 DBED N#CCNCC1(O)CCN(C(=O)c2noc3c2COCC3)CC1 1755156522 WCPRCWGWTGOTAQ-UHFFFAOYSA-N 320.349 -0.172 30 20 DBED C#CCNC(=O)[C@H](C)N1CC(CCO)(NC(=O)c2ccoc2)C1 1755330505 SWMIEHROJKHHJX-LBPRGKRZSA-N 319.361 -0.416 30 20 DBED CC#CCNCCC[C@H](C)NC(=O)[C@H]1CCS(=O)(=O)N1 1755533808 NJWIWUUXDKOQNX-NWDGAFQWSA-N 301.412 -0.424 30 20 DBED C=CCCCN[C@H](CO)CNC(=O)[C@]1(C)CCCS1(=O)=O 1755642128 PPPCLZPLHWDTMD-JSGCOSHPSA-N 318.439 -0.013 30 20 DBED C[C@H](NC[C@H](O)CN(C)C(=O)C#CC(C)(C)C)C(=O)N(C)C 1755779086 COPFHRAVRBKHBR-STQMWFEESA-N 311.426 -0.079 30 20 DBED CC#CCNC[C@H](O)CN(C)C(=O)c1cc(=O)c(OC)co1 1755783536 UCSBONGMSXDEJG-NSHDSACASA-N 308.334 -0.306 30 20 DBED CC#CCNC[C@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1cncn1C 1755788531 VAPOJIFYLGYLEB-BFHYXJOUSA-N 304.394 -0.044 30 20 DBED CCn1cc(C(=O)N(C)C[C@@H](O)CN(C)CC#CCOC)nn1 1755806242 AQUCRZGIAYYVNG-ZDUSSCGKSA-N 323.397 -0.688 30 20 DBED COCC#CCN(C)C[C@H](O)CN(C)C(=O)Cc1cncn1C 1755807274 RIUFBUWHHCQYLH-HNNXBMFYSA-N 322.409 -0.637 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC([C@@H](C)NC(=O)CNC(C)=O)C1 1756127854 ORJPTMCKTLAKRP-MEBBXXQBSA-N 311.382 -0.587 30 20 DBED C=CCCC(=O)NCC1[C@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@H]12 1756191928 GDUHLDQKROFSOQ-LYIQGSDWSA-N 305.378 -0.105 30 20 DBED CC(C)C#CC(=O)N1C[C@H]2[C@H](CNC(=O)[C@@H]3COC(=O)N3)[C@H]2C1 1756200269 QBFLQWOAJGJUSF-RVMXOQNASA-N 319.361 -0.425 30 20 DBED C#CCCCC(=O)N(C)C[C@@H](O)CNC(=O)[C@H]1CC(=O)N(C)C1 1756660585 JNOZEHOLNSTJBQ-STQMWFEESA-N 323.393 -0.796 30 20 DBED N#CCSCC(=O)N[C@H]1CCN(C(=O)c2cn[nH]c2)C[C@H]1O 1757562648 PCHRMAPKFLMJBC-WDEREUQCSA-N 323.378 -0.642 30 20 DBED CC[C@H](C#N)C(=O)N[C@@H](C)C(=O)N1CCS(=O)(=O)CC1 1771757857 GUUTXPDBXUSNFE-VHSXEESVSA-N 301.368 -0.702 30 20 DBED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(=O)C1CC1 1792901282 IOYFZLNBCVRANO-AGGWBTHJSA-N 318.373 -0.032 30 20 DBED CCOCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)S 1800984254 LXPOLUOVGWDDRZ-HNCHTBHHSA-N 316.423 -0.069 30 20 DBED N#CCC(=O)NC[C@H]1CCN(C(=O)C(O)O)[C@@H]1c1cccnc1 1806275871 MFKMMLQCXIIYLW-DGCLKSJQSA-N 318.333 -0.688 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)Cn1nnc2ccccc2c1=O 28253155 AHJMNOQACAGCRR-JTQLQIEISA-N 314.301 -0.527 30 20 DBED CCNC(=O)CNC(=O)N1CCN(c2ccc(C#N)cn2)CC1 57797224 QHQWOOGICABDAY-UHFFFAOYSA-N 316.365 -0.079 30 20 DBED C#CCOCCC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 159803254 SUMQKNHNBCSCCR-AWEZNQCLSA-N 307.394 -0.209 30 20 DBED C#CCCCNC(=O)NCCC(=O)N1CCN(C(C)=O)CC1 174095738 UXLCGUOXRAMGPN-UHFFFAOYSA-N 308.382 -0.220 30 20 DBED C=C[C@H](CC)OC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 181252948 MYHLRSGCQMATCV-SECBINFHSA-N 306.322 -0.059 30 20 DBED C=CCN(CCOC)S(=O)(=O)c1cc(C(N)=O)n(C)c1 190510819 AXJYAWGVWLWBIS-UHFFFAOYSA-N 301.368 -0.053 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)CN(CC)CC)CC1 264109162 JWZRKESUSLDEIE-CQSZACIVSA-N 308.426 -0.390 30 20 DBED CC[C@@H](C#N)NC(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 266324974 XFVHDGNOMDDTOX-YQPPGCHHSA-N 305.334 -0.043 30 20 DBED N#CCCN(CCC#N)C(=O)CN1CCSC[C@H]1C(N)=O 271623678 XGYHMXIMDOEPCJ-NSHDSACASA-N 309.395 -0.455 30 20 DBED C=CCS(=O)(=O)CCNC(=O)NCCCC(=O)NC1CC1 272881441 VQRBRLGTVJUTFH-UHFFFAOYSA-N 317.411 -0.055 30 20 DBED C[C@@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)C(=O)NCCF 282650630 XSRKREHMNTYFEH-SNVBAGLBSA-N 320.324 -0.122 30 20 DBED CO/N=C(/C(=O)NCCn1cc(C(=O)OC)nn1)c1ccco1 284849410 KLLWSOKYCBGCBA-LFIBNONCSA-N 321.293 -0.175 30 20 DBED C[C@@H]1CN/C(=N\CCCN2CCN(c3ncccn3)CC2)N1 285051546 LDQJMAYZDLQSJO-CYBMUJFWSA-N 303.414 -0.074 30 20 DBED C=CCCOCCNC(=O)C(=O)N[C@@H](C)CN1CCCC1=O 286087383 NPQNUTSQJITYFV-LBPRGKRZSA-N 311.382 -0.178 30 20 DBED C=C[C@@H](CO)NC(=O)CCSCCC(=O)N[C@@H](C=C)CO 292694385 NIDKBZBXFCQZRQ-RYUDHWBXSA-N 316.423 -0.174 30 20 DBED CCCN/C(N)=N/CCS(=O)(=O)NC[C@H]1CCCCO1 304758416 PYTWULPXDFSPHR-LLVKDONJSA-N 306.432 -0.211 30 20 DBED Cn1c(N2CCC([C@@H]3CCCN3)CC2)c(C#N)c(=O)n(C)c1=O 333584048 ULDOSGVRIQSPGP-ZDUSSCGKSA-N 317.393 -0.076 30 20 DBED CC[C@@H]1CO[C@H](C)CN1S(=O)(=O)N1CCO[C@@H](C#N)C1 336917301 NKWKATSBHBFNPT-UTUOFQBUSA-N 303.384 -0.045 30 20 DBED COC(=O)[C@H]1CCCCN1S(=O)(=O)N1CCO[C@@H](C#N)C1 336954454 XPZQMYBJPSWNGR-WDEREUQCSA-N 317.367 -0.517 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)[C@H]2CN3CCCN2CC3)C1=O 337105869 ZNYGJSSLGZQYKX-UONOGXRCSA-N 306.410 -0.378 30 20 DBED CC(C)[C@@H](NS(=O)(=O)N1CCO[C@@H](C#N)C1)C(C)(C)O 337161864 VCULABUOTVUUKD-WDEREUQCSA-N 305.400 -0.159 30 20 DBED N#Cc1cccc(-n2ccc(C(=O)NCC(=O)NCCO)n2)c1 343575759 TVCONYPJZZOPDG-UHFFFAOYSA-N 313.317 -0.418 30 20 DBED N#Cc1ncn(CCNC(=O)NCCCO[C@H]2CCOC2)n1 345241068 ZJFPFDQQYVXZFC-NSHDSACASA-N 308.342 -0.355 30 20 DBED Cc1nn(C)c(N2CCN(CC(=O)NCC#N)CC2)c1C#N 349877509 HZDSDESDAGNTMF-UHFFFAOYSA-N 301.354 -0.638 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)N[C@@H]2CC[S@](=O)C2)cc1 354000969 KXRWVHKZRXTLGP-GTJPDFRWSA-N 305.359 -0.075 30 20 DBED C=CC[C@H](CO)CNC(=O)C(=O)Nc1cc2n(n1)CCCC2 354384982 IMFKYUFNBGQGDL-NSHDSACASA-N 306.366 0.459 30 20 DBED C[C@@H](CC(N)=O)NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 354724001 SHOFQIWRDFGSLU-VIFPVBQESA-N 324.362 -0.783 30 20 DBED N#Cc1cc(NC(=O)C(=O)NCCn2ncnn2)ccc1F 359387363 YMDZHNRNTAHQLL-UHFFFAOYSA-N 303.257 -0.561 30 20 DBED C#CCCCS(=O)(=O)N1CCCN(CC(=O)NCC)CC1 375522694 MOUJSNBYRVEDDY-UHFFFAOYSA-N 315.439 -0.127 30 20 DBED CCCN(CC#N)C(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 377552787 KHQLTOROPIEERF-AWEZNQCLSA-N 322.409 -0.071 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CCSC[C@H]1C(=O)O 417472072 IEUGQPJVKMWTMF-VIFPVBQESA-N 307.397 -0.031 30 20 DBED C=CC1CCN(C(=O)C(=O)N2CCN([C@@H]3CCNC3)CC2)CC1 423311990 UUWKEZRIUBOAQP-OAHLLOKOSA-N 320.437 -0.083 30 20 DBED C=CCOC[C@H](NC(=O)CCS(=O)(=O)N(C)C)C(=O)OC 435944071 QYBZMOSBRAFBHA-JTQLQIEISA-N 322.383 -0.872 30 20 DBED COC(=O)[C@@H]1CNC(=O)CN1S(=O)(=O)c1ccc(C#N)cc1 447933594 XMLYVJCCOYAYHT-NSHDSACASA-N 323.330 -0.780 30 20 DBED C#CCN1CCN(C(=O)CN2CCS[C@@H]3COCC[C@H]32)CC1 490831651 WLKBCUJPAADVSL-HUUCEWRRSA-N 323.462 -0.030 30 20 DBED C#CCNC(=O)C1CCN(C(=S)NCC(=O)NC(C)C)CC1 491069408 VWZIEUFPPPNCEG-UHFFFAOYSA-N 324.450 -0.153 30 20 DBED C#CCNC(=O)CN1CCN(Cc2nc(O)cc(CC)n2)CC1 491313714 AFHNFZKJSDLMIQ-UHFFFAOYSA-N 317.393 -0.388 30 20 DBED C#CCNS(=O)(=O)CCCS(=O)(=O)Nc1ccon1 491404789 FGXFMGLLYCHWGV-UHFFFAOYSA-N 307.353 -0.641 30 20 DBED C#CCNC(=O)C1CCN(S(=O)(=O)C[C@H]2CCCO2)CC1 491780755 LAGABUVRYQPFPX-CYBMUJFWSA-N 314.407 -0.043 30 20 DBED COc1cc(C#N)ccc1S(=O)(=O)NC[C@@H]1COCCN1 528053136 IBPODIGJYHOPAC-LLVKDONJSA-N 311.363 -0.166 30 20 DBED CN1CCOC[C@@H]1C(=O)N1CCN(c2cnccc2C#N)CC1 553698480 VZLRIHXEOVORPW-OAHLLOKOSA-N 315.377 -0.068 30 20 DBED C=CCNc1ncc(C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)s1 566984462 KDIYIBRTCUSUKI-NXEZZACHSA-N 321.406 0.125 30 20 DBED C=CCn1cc(CNc2c(C#N)c(=O)n(C)c(=O)n2C)nn1 571397331 GALUYMSIYAXBLO-UHFFFAOYSA-N 301.310 -0.655 30 20 DBED CN(C)C(=O)CN1CCN(C(=O)c2cnccc2C#N)CC1 588748631 GTBZJWVANWYMSL-UHFFFAOYSA-N 301.350 -0.201 30 20 DBED C[C@H](C(=O)N(C)CCCc1[nH]nc(N)c1C#N)[C@H]1CCC(=O)N1 599732112 LHUOBIMAYFDOSQ-GXSJLCMTSA-N 318.381 0.169 30 20 DBED CC(C)[C@@H]1CN(C(=O)C(=O)N2CCN(CCC#N)CC2)CCO1 601461484 FTFWAKWWABGADZ-AWEZNQCLSA-N 322.409 -0.072 30 20 DBED N#CCCN1CCN(C(=O)N[C@@H]2CCCS(=O)(=O)C2)CC1 602282073 HFWKIONXVUCGLL-GFCCVEGCSA-N 314.411 -0.196 30 20 DBED C=CCn1cc(C(=O)N2CCC[C@@H](N3CCNCC3=O)C2)nn1 648110792 PBLNHQLBNSMCRV-GFCCVEGCSA-N 318.381 -0.500 30 20 DBED C=CCN(C(=O)[C@@H]1CC[C@@H](C(=O)O)O1)[C@@H]1CCS(=O)(=O)C1 682523905 ILXUQYNABPXGJI-VWYCJHECSA-N 317.363 -0.180 30 20 DBED Cn1nnnc1CSc1nc(N)c(C#N)cc1-c1nn[nH]n1 737628449 WLZOBUSUTNXMSZ-UHFFFAOYSA-N 315.326 -0.469 30 20 DBED N#Cc1c(F)cccc1S(=O)(=O)N1CCO[C@@H](C(N)=O)C1 742285815 KKPKRMGJSPJKCU-SNVBAGLBSA-N 313.310 -0.428 30 20 DBED CNC(=O)[C@@H](C#N)C(=O)c1nc(S(C)(=O)=O)n2ccccc12 743446985 JEDJYBUVDVTFBT-QMMMGPOBSA-N 320.330 -0.194 30 20 DBED CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1cnn(CC#N)c1 746407750 XZSULVDBMATVSW-GFCCVEGCSA-N 304.354 -0.054 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NOCC(F)(F)F)C1=O 766758451 MBJNMPNVXJPQOE-UHFFFAOYSA-N 309.200 -0.427 30 20 DBED C#CCn1cc(CNC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)cn1 788217357 LJIIZPQZVPALIW-LBPRGKRZSA-N 312.333 -0.091 30 20 DBED CC(=O)N1CC(C(=O)NS(=O)(=O)CC2(C#N)CCCC2)C1 788374706 SPGFGSPQDFFHOU-UHFFFAOYSA-N 313.379 -0.005 30 20 DBED C#CCC[C@@H](O)CNS(=O)(=O)c1cnn(CCOC)c1 798487728 XZQPDMOYTKHCRP-LLVKDONJSA-N 301.368 -0.418 30 20 DBED CCN(CCS(C)(=O)=O)S(=O)(=O)N(C)[C@H](C)CC#N 800925206 LAHYJKCOICNEHP-SNVBAGLBSA-N 311.429 -0.168 30 20 DBED CC#CC(=O)N1CCN(S(=O)(=O)CCOC(C)C)CC1 801164513 QHUAUQASOCZIQW-UHFFFAOYSA-N 302.396 -0.091 30 20 DBED C#C[C@H](NC(=O)C(=O)NCCOc1cccnc1)[C@H]1CCCO1 804075856 KHCVXNCJYHXZOZ-UONOGXRCSA-N 317.345 -0.126 30 20 DBED C=C(Br)CNC(=O)C(=O)NCCN(C)CCOC 804083534 BBEJOTKINWAMIO-UHFFFAOYSA-N 322.203 -0.294 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCn2cnnc2[C@H]1C)[C@@H]1CCCO1 809304157 FWCRJVLWEOYGKE-WOPDTQHZSA-N 317.349 -0.522 30 20 DBED C#C[C@@H](NC(=O)C(=O)N(C)CCc1cnccn1)[C@@H]1CCCO1 809312095 XSKYARVCBDDNMW-KGLIPLIRSA-N 316.361 -0.226 30 20 DBED C=CCCn1cc(C(=O)OCCN2C(=O)N[C@H](C)C2=O)nn1 820966871 XZBBUNBNNVQVIE-SECBINFHSA-N 307.310 -0.049 30 20 DBED CCCn1cc(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[nH]2)nn1 825356732 GRGRLFRXTKHHRE-UHFFFAOYSA-N 313.285 -0.285 30 20 DBED CN(CCC#N)S(=O)(=O)NC1(CC(=O)O)CCOCC1 830727404 SHBOPRLAFOIJFE-UHFFFAOYSA-N 305.356 -0.310 30 20 DBED CCC1(CC)NC(=O)N(CC(=O)N[C@H]2CNC[C@@H]2C#N)C1=O 834517803 ZIPNFLAZQQVYIR-UWVGGRQHSA-N 307.354 -0.675 30 20 DBED C#Cc1ccc(C(=O)N2CCCC[C@@H]2CNS(N)(=O)=O)cn1 854840787 STYFOEKQJDYOOT-CYBMUJFWSA-N 322.390 -0.149 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)N(C)CC(C)C)CC1 872515420 MWIZOEVBLYRAPI-UHFFFAOYSA-N 316.427 -0.221 30 20 DBED C#CC[C@H](CO)NS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C 882342883 JWIFBSUBNOCIMW-SNVBAGLBSA-N 323.374 -0.461 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)Cc2cnc(C)o2)CC1 900039514 YIMQFNAZIILWFW-UHFFFAOYSA-N 306.366 -0.028 30 20 DBED COCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)NCC#CCO)C1 923781838 CZKWGYXLBVKXPJ-STQMWFEESA-N 311.382 -0.445 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2cn(C)nn2)C1 936114326 SMUYEXAUWRCMFE-WZRBSPASSA-N 319.365 -0.263 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@H](NC(=O)Cn2ncn(C)c2=O)C1 938204676 NRMZUYMYDDUAJX-NSHDSACASA-N 321.381 -0.489 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)c3cnn(C)n3)C2)cn1 938276807 CYPLBZFBASYWNC-ZDUSSCGKSA-N 324.344 -0.164 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCN(C(=O)[C@H](C)OC)C2)nn1 940505190 WVVAWIJSKMHCLD-WDEREUQCSA-N 307.354 -0.170 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCCCN(C(=O)C(N)=O)C1 943283604 OWLYVWZNWGFBBH-AVGNSLFASA-N 323.393 -0.050 30 20 DBED C#CCCN1CCOC2(CCN(C(=O)[C@@H]3CNC(=O)N3)CC2)C1 949454429 KTNUVNSGFUTWCZ-ZDUSSCGKSA-N 320.393 -0.616 30 20 DBED Cn1cc(C(=O)NC[C@@H]2CN(CC#N)C[C@H]2O)c(C2CC2)n1 958100606 CVVUMQWVJQNQNM-DGCLKSJQSA-N 303.366 -0.156 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2cc(C3CC3)nn2C)C1 958110414 HAIJXUCOOQADBM-IUODEOHRSA-N 302.378 -0.047 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2cnc3[nH]c(C)nc3c2)C1 958122135 QMNDHRBDIQXZCD-OCCSQVGLSA-N 313.361 -0.078 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2ccc(NC(C)=O)cn2)C1 958122717 ZWDRKCGBUBPWQZ-DOMZBBRYSA-N 316.361 -0.304 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2ccnc3[nH]c(C)nc23)C1 958271855 JFFFTWIKNKUABK-YPMHNXCESA-N 313.361 -0.078 30 20 DBED C=CCN1C[C@@H](O)[C@H](CNC(=O)c2cc(C)c(C(N)=O)cn2)C1 958409752 WIKDSAPZUJLTSE-BXUZGUMPSA-N 318.377 -0.303 30 20 DBED CC#CCN1C[C@@H](O)[C@@H](CNC(=O)c2ccc(C(N)=O)nc2)C1 958748427 MOHQAXLJGXNSAA-GXTWGEPZSA-N 316.361 -0.774 30 20 DBED C=CCN1C[C@H]2[C@H](NC(=O)CN3CCCCS3(=O)=O)[C@H]2C1 961155253 ZGMSHLPGLVDESP-IMRBUKKESA-N 313.423 -0.356 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 962123112 RVYAQQQCNMYEHU-AXTRIDKLSA-N 301.306 -0.652 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)c1ccc(O)nn1 964084551 WASKLHWTLSOKGW-VHSXEESVSA-N 319.321 -0.701 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CCCN(C(=O)C(N)=O)CC2)c[nH]1 964842725 FUGNTGZJPZZWHL-SNVBAGLBSA-N 303.322 -0.517 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC2(CN(C(=O)Cc3cc[nH]n3)C2)C1 965470542 HVAIZYABQGMEGE-NSHDSACASA-N 317.349 -0.448 30 20 DBED CN(C(=O)C(N)=O)[C@@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)CC1 967655858 WZEOQRXPZUFTAW-GFCCVEGCSA-N 317.349 -0.175 30 20 DBED C=CCN1CC[C@H](C)[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)C1 968539459 OJNCPJIAQBFMDF-RYUDHWBXSA-N 308.382 -0.107 30 20 DBED C=CCN1CC[C@H](N[C@@H]2CCN(C(=O)c3cnnn3C)C2)C1=O 968553427 VKVDHEMISDYTSX-NEPJUHHUSA-N 318.381 -0.594 30 20 DBED C#CCN1C[C@H]2CC[C@H]1CN2C(=O)Cn1ccc(O)nc1=O 971572896 PAYRVASPVLPROF-NWDGAFQWSA-N 302.334 -0.743 30 20 DBED C=CCn1cc(C(=O)N2CC[C@@H](N(C)[C@H](CC)C(N)=O)C2)nn1 972501644 PZMBMXROAMLJKA-DGCLKSJQSA-N 320.397 -0.126 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H]2C[C@@H](NC(=O)Cc3nc[nH]n3)C2)c1 974000970 GCOLYAYSYDHTCL-AOOOYVTPSA-N 313.321 -0.376 30 20 DBED C=C(C)CN1C[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C(C)(C)C1 974674066 HPMWAEAZQXYORI-WDEREUQCSA-N 308.382 -0.013 30 20 DBED N#Cc1cc(C(=O)N[C@H]2[C@@H]3CN(C(=O)c4cnon4)C[C@@H]32)c[nH]1 976407894 KQLTWHSGUAEPDY-IAZYJMLFSA-N 312.289 -0.230 30 20 DBED C#CCCN1C[C@H]2[C@H](CNC(=O)c3cn(C)c(=O)cn3)[C@H]2C1 978544224 SYVWMMUUOWIWCQ-XYYAHUGASA-N 300.362 -0.289 30 20 DBED C=C(C)CN1C[C@H]2[C@H](CNC(=O)c3cnc(O)n(C)c3=O)[C@H]2C1 978602274 VVMROFFFPSMJQH-UOJUARBOSA-N 318.377 -0.030 30 20 DBED C[C@H](C#N)C(=O)N1CCCN(C[C@H](O)CN2CCCC2=O)CC1 980850466 UKZZRCNAABKPAK-KGLIPLIRSA-N 322.409 -0.336 30 20 DBED C=CCN[C@@H]1CCC[C@H](NC(=O)c2cn(CC(N)=O)nn2)C1 981541817 NKIKBJKUCPOESD-MNOVXSKESA-N 306.370 -0.420 30 20 DBED CN1CCN(CC(=O)N2CC3(CCCN(CC#N)C3)C2)CC1=O 981856967 RUGZSPINUPJLQE-UHFFFAOYSA-N 319.409 -0.792 30 20 DBED C#CCN(C)C1CCN(C(=O)Cn2ccc(O)nc2=O)CC1 985522361 BCWXUYJWODTGDR-UHFFFAOYSA-N 304.350 -0.495 30 20 DBED C[C@]1(C(=O)N2CC(NC(=O)c3c[nH]c(C#N)c3)C2)CNC(=O)C1 990932709 PMZPPBPKMQAQAR-OAHLLOKOSA-N 315.333 -0.647 30 20 DBED C#CCN1CCC[C@H](NC(=O)CN2CCN(C)C(=O)C2)[C@@H]1C 993520517 MNFBENRSAOGAAV-KBPBESRZSA-N 306.410 -0.637 30 20 DBED C[C@H](C#N)C(=O)N1CC(NC(=O)[C@@H]2CCc3nncn3C2)C1 993845061 MIGWMJRVQBUKTD-NXEZZACHSA-N 302.338 -0.673 30 20 DBED C[C@@]1(C(=O)NC2CN(C(=O)C#CC3CC3)C2)CCCS1(=O)=O 995348537 GDCOCZAZPLXQEU-HNNXBMFYSA-N 324.402 -0.306 30 20 DBED Cn1cncc1CC(=O)NC1CN(C(=O)c2ccc(C#N)[nH]2)C1 996444423 UIBCNUVIWZVQKE-UHFFFAOYSA-N 312.333 -0.197 30 20 DBED C=CCN1CCC([C@@H](C)NC(=O)c2cn(CC(N)=O)nn2)CC1 997435043 TVXSFGZYAXWMKZ-LLVKDONJSA-N 320.397 -0.220 30 20 DBED C#CCOc1ncccc1C(=O)N1CCC[C@H](NCC(N)=O)C1 1000727063 ZGUAHKCKSDFKMH-LBPRGKRZSA-N 316.361 -0.227 30 20 DBED O=C1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C#CC2CC2)N1 1001660586 ACZVPQAYPMYSNU-SYQHCUMBSA-N 315.373 -0.074 30 20 DBED C[C@H](C#N)C(=O)N1CCNC(=O)CCN(C(=O)[C@H](C)C#N)CC1 1001778427 WDRKMAOSASJPMY-VXGBXAGGSA-N 319.365 -0.517 30 20 DBED CN(C(=O)[C@@H]1CCc2nnc(O)n2C1)C1CCN(CC#N)CC1 1005606702 OSQAQUHXHXRTNA-LLVKDONJSA-N 318.381 -0.008 30 20 DBED C[C@H](NC(=O)c1cn(C)c(O)n1)C1CN(C(=O)[C@H](C)C#N)C1 1006786061 MKYVHCUWPAWZOK-BDAKNGLRSA-N 305.338 -0.138 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@]23CCC[C@H]2CN(C(=O)C(N)=O)C3)c1 1007260047 GIGFZLQEFZZENB-BONVTDFDSA-N 315.333 -0.517 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C(=O)[C@H]2CCN(C)C(=O)C2)CC1 1011421348 VTXHJFQEXNFTSY-RYUDHWBXSA-N 306.366 -0.315 30 20 DBED C=C(C)CCN1CC[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C1 1014631017 NWEKXDVRVQKWCF-ZDUSSCGKSA-N 320.393 -0.296 30 20 DBED N#CCN1CC[C@H](NC(=O)c2ccccc2OCC(N)=O)C1 1015183030 SJXISLNWNJHVNQ-NSHDSACASA-N 302.334 -0.122 30 20 DBED C=CCn1cc(C(=O)N[C@H]2C[C@H](N[C@H]3CCCNC3=O)C2)nn1 1020700562 USWPMUASSVPPFA-SRVKXCTJSA-N 318.381 -0.407 30 20 DBED C=CCN1CC[C@@H](N2[C@H]3CC[C@H]2CN(C(=O)CC(N)=O)C3)C1=O 1029245765 GEMIDOKYYGDVGD-RWMBFGLXSA-N 320.393 -0.676 30 20 DBED C=CCN[C@H]1CC[C@H](NC(=O)CN2CCN(C)C(=O)C2)CC1 1034676002 IVTLGVGXGQZNRI-HDJSIYSDSA-N 308.426 -0.037 30 20 DBED N#CCN1CCC2(CCN(C(=O)C3CS(=O)(=O)C3)CC2)C1 1035193034 XZRBCIOEHAKAND-UHFFFAOYSA-N 311.407 -0.131 30 20 DBED C#CCN1CCO[C@H](CNC(=O)c2cnc3[nH]nnc3c2)C1 1035398730 OAXGKUWGQMJQPQ-LLVKDONJSA-N 300.322 -0.583 30 20 DBED C#CCN1CCO[C@H](CNC(=O)c2ccc3nnnn3c2)C1 1035443673 GHTJWEKRXQWMDD-GFCCVEGCSA-N 300.322 -0.812 30 20 DBED C#CCN1CCO[C@H](CNC(=O)c2nc3nccc(C)n3n2)C1 1035598627 WXOTZUZCYQSVCG-GFCCVEGCSA-N 314.349 -0.503 30 20 DBED N#CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1cn(C2CCOCC2)nn1 1037664024 KIZSCWRMCYNNGH-DDTOSNHZSA-N 316.365 -0.044 30 20 DBED C#CCCCC(=O)NC[C@]1(O)CCN(C(=O)CC(=O)NC)C1 1039574870 ZYUQPCJGYIVZJL-OAHLLOKOSA-N 309.366 -0.994 30 20 DBED CCO[C@@H](C)C(=O)N1CC[C@@](O)(CNC(=O)C#CC2CC2)C1 1039676879 BOJDOQLHMNMUQI-BLLLJJGKSA-N 308.378 -0.096 30 20 DBED C#CCCCC(=O)N1CC[C@](O)(CNC(=O)c2cnn[nH]2)C1 1040265611 NSCLGIOSZLHXBW-AWEZNQCLSA-N 305.338 -0.699 30 20 DBED C#CCN1CC[C@@]2(CCN(C(=O)Cn3ccc(O)nc3=O)C2)C1 1041451025 ZPOUJFAGVGCKFK-MRXNPFEDSA-N 316.361 -0.494 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)C2=COCCC2)C1 1041984813 PFIBLTITRVRJGG-LBPRGKRZSA-N 324.377 -0.039 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)Cc2cnc[nH]2)C1 1042940674 DVBYCOQNMJDQAS-UHFFFAOYSA-N 304.350 -0.699 30 20 DBED CN1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042958385 MQDOLTXMLOVNSL-ZDUSSCGKSA-N 305.378 -0.817 30 20 DBED CCc1cc(C(=O)N2CC(O)(CNC(=O)C#CC3CC3)C2)no1 1042960739 NTSDVFBRUCPJRF-UHFFFAOYSA-N 317.345 -0.047 30 20 DBED C=CC(C)(C)CC(=O)NCC1(O)CN(C(=O)[C@H]2CCC(=O)N2)C1 1043206046 RRPJILLAKHJAOI-LLVKDONJSA-N 323.393 -0.443 30 20 DBED C=CCN1CC[C@@H](N2CC(N(C)C(=O)[C@H]3CCNC3=O)C2)C1=O 1043532976 HHQAFZRJCKZYCY-QWHCGFSZSA-N 320.393 -0.948 30 20 DBED N#Cc1cccnc1N1C[C@H](O)[C@H](NC(=O)C2=CCOCC2)C1 1043917631 FQGNMKDLJDOCON-KGLIPLIRSA-N 314.345 -0.034 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)c2cc(CC)on2)C1 1044240167 OVHRLKWULQXYNB-UHFFFAOYSA-N 323.349 -0.257 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)[C@@]2(C)CCOC2)C1 1045297980 IQJBLIBIQYEHTQ-HNNXBMFYSA-N 308.378 -0.094 30 20 DBED COCCC1(C(=O)N2CC(O)(CNC(=O)[C@@H](C)C#N)C2)CC1 1045552641 UPTMSUBVPJGLQB-NSHDSACASA-N 309.366 -0.348 30 20 DBED COCCC(C)(C)C(=O)NCC1(O)CN(C(=O)[C@H](C)C#N)C1 1045637688 QPHHZKIYTNUWGE-LLVKDONJSA-N 311.382 -0.102 30 20 DBED CC[C@H](C(N)=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C#N)c[nH]2)C1 1047337921 NPDSSMMARXLPKY-AGIUHOORSA-N 319.365 -0.733 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3n2CCOC3)C1 1047415933 PHNMOKYRGKEEPR-STQMWFEESA-N 304.350 -0.836 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3nnn(C)c3C2)C1 1047503779 MWLYDTRGTYRBQL-CQDKDKBSSA-N 319.409 -0.391 30 20 DBED C=CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 1047526127 KXKXBKQCMXTOSP-ZDEQEGDKSA-N 311.382 -0.901 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3n[nH]cc3C2)C1 1047597719 XGXFKILBXXZKOR-UGFHNGPFSA-N 302.378 -0.349 30 20 DBED C=CCCC(=O)N(C)[C@H]1CN(C(=O)[C@H]2COCCO2)C[C@@H]1O 1048505609 ADRNWXDRCYUZDK-RWMBFGLXSA-N 312.366 -0.602 30 20 DBED C=CCOCC(=O)N(C)[C@H]1CN(C(=O)C[C@H](C)OC)C[C@@H]1O 1048554743 FQQMRMSQPCDPLL-AVGNSLFASA-N 314.382 -0.356 30 20 DBED CN(C(=O)C#CC1CC1)[C@H]1CN(C(=O)[C@]2(F)CCOC2)C[C@@H]1O 1048828282 KUEFOIQYGHDVPB-XEZPLFJOSA-N 324.352 -0.442 30 20 DBED C[C@@H]1[C@@H](NC(=O)[C@@H]2COCCO2)CCN1c1ccc(C#N)nn1 1050064761 FHHUDSWKXRVZOX-WXHSDQCUSA-N 317.349 -0.153 30 20 DBED CC(C)C(=O)N1CCC[C@H]1C(=O)NC[C@H]1COCCN1CC#N 1051248071 VXHBYUQAHZTGQL-KBPBESRZSA-N 322.409 -0.026 30 20 DBED C#CCN1CCC[C@H](NC(=O)[C@@H]2Cc3cncn3C(=O)N2)CC1 1052584183 OQMYKJWRVYGKAR-JSGCOSHPSA-N 315.377 -0.031 30 20 DBED CC#CCN1CCC[C@@H](NC(=O)CN2CC(=O)NC2=O)CC1 1052798752 WWFQONQDOTXKCS-GFCCVEGCSA-N 306.366 -0.468 30 20 DBED C#CCN1CC2(C1)CN(C(=O)[C@@H]1CC(=O)N(CC)C1)CCO2 1053279546 QQCZBXVKXJOKKS-CYBMUJFWSA-N 305.378 -0.599 30 20 DBED C#CCN1CC2(C1)CN(C(=O)[C@H]1CC(=O)N[C@@H](CC)C1)CCO2 1053356012 IRRVVRLPPWRQQT-KGLIPLIRSA-N 319.405 -0.162 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)[C@H]3COCCN3C)CO2)C1 1053782330 NBCWLYWCHYOWIU-UONOGXRCSA-N 307.394 -0.700 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)[C@H]3COCCN3CC)CO2)C1 1053854065 REDDFUKZVWNFHB-ZIAGYGMSSA-N 307.394 -0.700 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)[C@@]3(C)CCC(=O)NC3)CO2)C1 1053902044 TXCYAQQYWGAGRZ-WFASDCNBSA-N 305.378 -0.505 30 20 DBED C=CCN1CC2(C[C@@H](NC(=O)C3CCN(C(N)=O)CC3)CO2)C1 1054004346 MSKCYZUFKWEAJM-CYBMUJFWSA-N 322.409 -0.077 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)C[C@@H]3CC(=O)NC3=O)CO2)C1 1054025863 KNINRSILXDZXQT-NEPJUHHUSA-N 319.361 -0.978 30 20 DBED CCc1nc(C#N)cc(N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)C(N)=O)n1 1055438037 YFZIGDXQWAFADN-MXWKQRLJSA-N 314.349 -0.378 30 20 DBED C=CCCCC(=O)NC1CCN(CCNC(=O)C(N)=O)CC1 1055629303 UPRUURKNEUCFAN-UHFFFAOYSA-N 310.398 -0.475 30 20 DBED Cc1nonc1C(=O)NC1[C@H]2CN(c3nccnc3C#N)C[C@H]12 1056243233 XFAWGMKCOWKVRS-IUCAKERBSA-N 311.305 -0.096 30 20 DBED CC(=O)NCC(=O)N1C[C@@H]2CCCN(C(=O)[C@@H](C)C#N)[C@@H]2C1 1056713023 BOKZEVMSIIUNJB-WCFLWFBJSA-N 306.366 -0.268 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](N(C)c2nccn3nnnc23)C1 1056871465 LEYSIAKYQMFSLZ-UWVGGRQHSA-N 300.326 -0.284 30 20 DBED C=C[C@](C)(O)CC(=O)NCCN(CCO)C(=O)CCOCC 1057182917 FUUUKSOTNNGMEJ-HNNXBMFYSA-N 316.398 -0.323 30 20 DBED C#CCO[C@H](C)C(=O)NCCN(CCO)C(=O)[C@H](C)COC 1057191944 IWERGAUQEFQVBA-CHWSQXEVSA-N 314.382 -0.756 30 20 DBED C#CCNC(=O)CC(=O)NCCN(CCO)C(=O)[C@@H]1CC1(C)C 1057363217 CVFXYXBYLWADSF-LBPRGKRZSA-N 323.393 -0.891 30 20 DBED C=CC(C)(C)C(=O)NCCN(CCO)C(=O)[C@H](C)n1cncn1 1057383202 LSUZIKVMIGGPNH-LBPRGKRZSA-N 323.397 -0.012 30 20 DBED CCn1cc(C(=O)NCCN(CCO)C(=O)C#CC2CC2)cn1 1057531524 SGOPIWPOLQJDAX-UHFFFAOYSA-N 318.377 -0.133 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCN(CCO)C(=O)c1[nH]cnc1C 1058066453 ZXMZSKAPAHMUNB-OAHLLOKOSA-N 324.381 -0.404 30 20 DBED N#Cc1ccc(N2CC[C@@H](NC(=O)[C@@H]3COCCO3)C2)nn1 1058304599 GHAQWSUGAJDQHO-NEPJUHHUSA-N 303.322 -0.541 30 20 DBED N#Cc1cncc(N2CC[C@@H](NC(=O)C[C@H]3COC(=O)C3)C2)n1 1058325785 GBAWWNRFOUVBLN-GHMZBOCLSA-N 315.333 -0.004 30 20 DBED N#Cc1cncc(N[C@H]2CCN(C(=O)CCn3cnnn3)C2)n1 1058947509 GKKVWKFLVJJKDO-JTQLQIEISA-N 313.325 -0.562 30 20 DBED CN1CCOC[C@@H]1C(=O)N[C@H]1C[C@@H](Nc2cnc(C#N)cn2)C1 1059598080 RWWNHHFRHKMBFR-NTZNESFSSA-N 316.365 -0.262 30 20 DBED N#Cc1c[nH]c(C(=O)NCC[C@H]2CCN(C(=O)C(N)=O)C2)c1 1060271954 ZTUZMYAUKKLDJP-VIFPVBQESA-N 303.322 -0.660 30 20 DBED Cn1cc(C(=O)NC[C@@H]2CCCN2c2cnc(C#N)cn2)nn1 1061349221 RUJYRUNCYFWCIG-NSHDSACASA-N 312.337 -0.124 30 20 DBED Cc1nnc(CC(=O)NC[C@@H]2COCCN2C(=O)[C@@H](C)C#N)o1 1061554539 QOQUNPNRJKLRQO-GXSJLCMTSA-N 321.337 -0.576 30 20 DBED CCN(CC)CC(=O)NC[C@H]1COCCN1C(=O)[C@@H](C)C#N 1061603033 UVSOOAAYFAUIOG-STQMWFEESA-N 310.398 -0.169 30 20 DBED CN(C(=O)[C@H]1COC(=O)N1)[C@H]1CCN(c2cncc(C#N)n2)C1 1062928636 NANXJSZBSGGKHL-WDEREUQCSA-N 316.321 -0.506 30 20 DBED Cn1nnc(C(=O)N[C@H]2[C@H]3C[C@H]2N(c2ccncc2C#N)C3)n1 1064325155 UKVPFDYYUWHXLZ-AXTRIDKLSA-N 310.321 -0.516 30 20 DBED CS(=O)(=O)CC(=O)N1CCC[C@H]1CN=c1cc[nH]cc1C#N 1064871050 MEAKVSQNQPAYJQ-LBPRGKRZSA-N 322.390 -0.177 30 20 DBED C=CCCOCC(=O)N1CCO[C@H](CNC(=O)c2cn[nH]c2)C1 1065281546 ZNADDXPNHHJNMI-CYBMUJFWSA-N 322.365 -0.040 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC2(C[C@@H](NC(C)=O)CO2)C1 1068639939 HGPBQZZXGHFXLQ-ZIAGYGMSSA-N 323.393 -0.037 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1COC2(C1)CN(C(=O)CCCC(N)=O)C2 1069007518 GRKZLGDDRGHIFL-GHMZBOCLSA-N 322.365 -0.712 30 20 DBED Cc1nn[nH]c1C(=O)N1CC2(C[C@@H](NC(=O)[C@H](C)C#N)CO2)C1 1069008869 VYPLJNGHLNQQGW-PSASIEDQSA-N 318.337 -0.628 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2cnsn2)C1 1069899980 IDXDZJCROZVPQW-MNOVXSKESA-N 303.351 -0.582 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2ccnn2CC)C[C@@H]1n1ccnn1 1070182919 GCGWQPCWIFPVIT-OCCSQVGLSA-N 313.365 -0.217 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)c2ccc(C)nn2)CC1 1070961741 YURPLDOFTIJCCH-UHFFFAOYSA-N 315.377 -0.318 30 20 DBED C=CCCN1CC[C@]2(C1)CN(C(=O)Cn1ncnn1)C[C@H](C)O2 1071169861 XTIHJZVIDVDJTG-ZFWWWQNUSA-N 320.397 -0.059 30 20 DBED C#CCOCCC(=O)N[C@H]1CN(C(=O)Cc2ncc[nH]2)C[C@@H]1C 1072602269 GDCYEWPYJTXBER-STQMWFEESA-N 318.377 -0.045 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CCN(C(=O)c2nnn(C)n2)CC1(C)C 1073484267 FCTGBQCGGZBZTR-VHSXEESVSA-N 319.369 -0.273 30 20 DBED CC#CCN1CCCO[C@H](CNC(=O)[C@@H]2COCCN2CC)C1 1073664460 HDNGKOIOPKHXNK-CVEARBPZSA-N 323.437 -0.063 30 20 DBED N#CCN1CCCO[C@H](CNC(=O)[C@H]2CCNC(=O)CC2)C1 1073713562 FACIKNNJMUVZGN-CHWSQXEVSA-N 308.382 -0.367 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)c2cccc(C(N)=O)n2)C1 1073905246 ZKRASXNPNIDBBU-GFCCVEGCSA-N 316.361 -0.366 30 20 DBED CC#CCCCC(=O)N[C@@H](C)CCNC(=O)Cn1cnnn1 1075563296 CTSYMVUARUOMSC-LBPRGKRZSA-N 306.370 -0.122 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)C[C@@H]1CCCO1 1075726837 MHDDGDLEKBMNFM-STQMWFEESA-N 323.393 -0.294 30 20 DBED C[C@@H](CCNC(=O)c1cn(C)c(=O)nc1O)NC(=O)[C@@H](C)C#N 1076579091 IPNOQPIELNVVQN-IUCAKERBSA-N 321.337 -0.730 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3cnn(C)c3C2)C1 1077573683 QDOUCVVATPYGKY-XNRPHZJLSA-N 316.405 -0.290 30 20 DBED CCN(C(=O)Cn1cnnn1)C1CN(C(=O)C#CC2CC2)C1 1079288090 AWHCEPQEQSKNGC-UHFFFAOYSA-N 302.338 -0.854 30 20 DBED CCN(C(=O)C#CC(C)C)C1CN(C(=O)[C@@H]2CCC(=O)N2)C1 1079730037 KEQNQUFRDWRTAM-ZDUSSCGKSA-N 305.378 -0.016 30 20 DBED C=CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)Cn2cncn2)C1 1079981685 XURFTUYZSFMSRG-GFCCVEGCSA-N 321.381 -0.072 30 20 DBED C=CCN1CC[C@H](N2C[C@@H](NC(=O)c3cnn[nH]3)[C@H](C)C2)C1=O 1080028274 AEFQNFBQDAOIDI-RTXFEEFZSA-N 318.381 -0.358 30 20 DBED CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)[C@@H]2CCCN2C(N)=O)C1 1080420448 USAWIGFXANANDT-PWSUYJOCSA-N 321.381 -0.252 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@H](CNC(=O)CSCC#N)C1 1081286404 KSVPAJVQIOIWIW-OLZOCXBDSA-N 323.418 -0.162 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)c2cnn(C)c2)C[C@H]1O 1081333079 OLMDGDWIRRTNCF-WCQYABFASA-N 306.366 -0.065 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)c2cnnn2C)C[C@H]1O 1081442420 VBVZFXLZXCOLJG-WCQYABFASA-N 319.365 -0.832 30 20 DBED C=CCCCC(=O)NC[C@H]1CN(C(=O)c2cnon2)C[C@H]1O 1081704845 JDPJBYKZHVASQM-CMPLNLGQSA-N 308.338 -0.025 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCc3nnc(C)n3C2)C1 1084084453 VKFCELURYKFVBN-XQQFMLRXSA-N 305.382 -0.504 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H]2C[C@@H](N[C@@H]3CCNC3=O)C2)c1 1086055016 MXMHOKQVACQVQO-ADEWGFFLSA-N 301.350 -0.127 30 20 DBED C=CCCN1CC[C@@H](NC(=O)CN2CCCNC2=O)[C@@H](O)C1 1090387735 ARKYUKRGHVDANN-OLZOCXBDSA-N 310.398 -0.471 30 20 DBED C=CCN1CC[C@@H](NC(=O)c2ccc3nnnn3c2)[C@@H](O)C1 1090429637 FPIRUDIFVKZCHI-NEPJUHHUSA-N 302.338 -0.525 30 20 DBED COc1cc(O)ncc1C(=O)N[C@H]1CCN(CC#N)C[C@H]1O 1090583298 NGSNBXPAWYVPSG-WDEREUQCSA-N 306.322 -0.516 30 20 DBED C=CCN1CC[C@H](NC(=O)C(C)(C)N2CCOCC2)[C@@H](O)C1 1090636773 CLXQNKAORGQCKF-KBPBESRZSA-N 311.426 -0.165 30 20 DBED COCCOCC(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1C 1090687329 IAVZNOWPWUOBIF-DGCLKSJQSA-N 319.365 -0.048 30 20 DBED COc1ccnc(O)c1C(=O)N[C@H]1CCN(CC#N)C[C@H]1O 1090731389 RESVJYMVRIPUMV-VHSXEESVSA-N 306.322 -0.516 30 20 DBED COCC(=O)N[C@@H]1CN(c2nc(C)cc(C#N)n2)C[C@H]1OC 1090856148 BQIVMBNAJLHWKJ-VXGBXAGGSA-N 305.338 -0.377 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(c2nccc(OC)n2)C[C@@H]1O 1091118289 GVCVROBYUSBICO-UTUOFQBUSA-N 322.365 -0.258 30 20 DBED C#CCN1C[C@@H]2CN(C(=O)CN3CCN(C)C(=O)C3)C[C@]2(C)C1 1091801018 YAWUXUWAVQFKJI-PBHICJAKSA-N 318.421 -0.826 30 20 DBED N#Cc1c[nH]ccc1=NCCNC(=O)COC[C@H]1CCOC1 1093867319 SUVHRAOQWBKUEL-LBPRGKRZSA-N 304.350 -0.044 30 20 DBED C[C@@H]1CCN(C(=O)C(=O)NCCN=c2cc[nH]cc2C#N)C1 1093870122 NDKNYVSOFUNREB-LLVKDONJSA-N 301.350 -0.228 30 20 DBED N#Cc1c(Cl)nsc1NCCNC(=O)[C@H]1CNC(=O)N1 1094104277 HEVDHEJDTGUOGV-ZCFIWIBFSA-N 314.758 -0.122 30 20 DBED C[C@@H]1C[C@@H]1C(=O)NCCC(=O)NCCN=c1cc[nH]c(C#N)n1 1094192781 BCZGIIBWGNYOTI-MNOVXSKESA-N 316.365 -0.539 30 20 DBED C[C@@]1(C(=O)NCCCN=c2cc[nH]cc2C#N)CNC(=O)C1 1094670784 MWQZJQJLKWFVFQ-HNNXBMFYSA-N 301.350 -0.180 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)[C@@H](C)n3cncn3)CC2=O)C1 1094726298 LEPZUXLQKHHRDF-NEPJUHHUSA-N 318.381 -0.574 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)C[C@@H]3CCNC3=O)CC2=O)C1 1094743755 KOWZISDYNFTKGV-RYUDHWBXSA-N 320.393 -0.900 30 20 DBED Cc1ccn(CC(=O)N[C@@H]2CC(=O)N(C3CN(CC#N)C3)C2)n1 1094787246 PSCVMGSESVQWOI-GFCCVEGCSA-N 316.365 -0.884 30 20 DBED N#Cc1nccnc1NC1CCN(C(=O)CNC(N)=O)CC1 1095215108 SNAUXOLLPZHERI-UHFFFAOYSA-N 303.326 -0.581 30 20 DBED Cc1cc(C#N)nc(N2CCC(NC(=O)CNC(N)=O)CC2)n1 1095388909 VBXADJLUGGENGU-UHFFFAOYSA-N 317.353 -0.590 30 20 DBED CN(CCCNC(=O)c1cnn(C)c1N)c1ccc(C#N)nn1 1095540520 YVPZOFNNBGHABG-UHFFFAOYSA-N 314.353 -0.080 30 20 DBED N#Cc1cncc(N[C@H]2C[C@H](NC(=O)CNC(=O)C3CC3)C2)n1 1096989463 CWECSJMPGDQTKV-XYPYZODXSA-N 314.349 -0.066 30 20 DBED CC(=O)N1CC[C@@H](C(=O)NC[C@H](C)N=c2cc[nH]c(C#N)n2)C1 1097986560 CXEQAVACXWDZOF-CMPLNLGQSA-N 316.365 -0.445 30 20 DBED C[C@H](CNC(=O)[C@H]1CCS(=O)(=O)C1)Nc1nccnc1C#N 1098136536 IJWUNZAACXAVBR-ZJUUUORDSA-N 323.378 -0.300 30 20 DBED CN1C(=O)CC[C@H]1C(=O)N1CCC(N(CC#N)CCO)CC1 1098454696 PNAIKICXXBGJGS-ZDUSSCGKSA-N 308.382 -0.584 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCN(CC#CCOC)C[C@@H]1O 1099832552 JCTHGPGZBHUAEK-CABCVRRESA-N 308.378 -0.773 30 20 DBED C=CC(C)(C)CC(=O)N[C@H]1CCN(Cc2nnn(C)n2)C[C@@H]1O 1099851024 TUIJZRANMPSENV-RYUDHWBXSA-N 322.413 -0.136 30 20 DBED CN(CCNC(=O)[C@@H]1CCC(=O)N1C)c1nccnc1C#N 1100264305 IAFLHFPOHVSIGD-NSHDSACASA-N 302.338 -0.479 30 20 DBED C=C(C)CCNC1CC(CNC(=O)CN2CC(=O)NC2=O)C1 1100767083 NATPFALACLCQRN-UHFFFAOYSA-N 308.382 -0.011 30 20 DBED CCCN(CCNC(=O)Cn1cncn1)c1cncc(C#N)n1 1101144974 AZDVDWIZKLNGHE-UHFFFAOYSA-N 314.353 -0.027 30 20 DBED CCCNC(=O)CCC(=O)N(C)CCN=c1cc[nH]c(C#N)n1 1101710812 YCQRQWDGZJHHSU-UHFFFAOYSA-N 318.381 -0.053 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)CS(C)(=O)=O 1104498028 PXCXVVRFAAKURE-SECBINFHSA-N 311.367 -0.926 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)[C@@H]1CCN(C)C1 1104580826 AOXHEBLIOYKROE-NWDGAFQWSA-N 302.382 -0.019 30 20 DBED C=CCCNCc1cn(C2CN(C(=O)[C@@H]3CCC(=O)N3)C2)nn1 1105365409 QNSCHINDAIQRAO-ZDUSSCGKSA-N 318.381 -0.394 30 20 DBED N#Cc1nc(=NC[C@H]2CCC[C@@H]2NC(=O)CNC(N)=O)cc[nH]1 1105634860 DQZDQBFYFZXOFY-ZJUUUORDSA-N 317.353 -0.865 30 20 DBED C=CCCC(=O)NC[C@H](O)CN=c1cc[nH]c(C(=O)OC)n1 1105740273 WLJPXXRAKRTVMK-SNVBAGLBSA-N 308.338 -0.460 30 20 DBED CCC(=O)NCC(=O)NC[C@@H](O)CN=c1cc(C)[nH]cc1C#N 1105771801 TWQONVOFJWEDEH-LBPRGKRZSA-N 319.365 -0.901 30 20 DBED COc1ccnc(NC[C@@H](O)CNC(=O)c2c[nH]c(C#N)c2)n1 1105830837 OGCWRKPEDZMOCJ-NSHDSACASA-N 316.321 -0.112 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)Cn2ccnc2)nn1 1105883410 UCXKANDBYYTPLQ-LLVKDONJSA-N 301.310 -0.866 30 20 DBED COC1CC(C(=O)NC[C@H](O)CNc2nc(C)cc(C#N)n2)C1 1105997694 YQZZROLXNZJHDQ-YDGIUTOCSA-N 319.365 -0.029 30 20 DBED CN(CC(=O)NC[C@H](O)CNc1ccc(C#N)nn1)C1CCC1 1106155160 VQAPLOOXXSFHAG-CYBMUJFWSA-N 318.381 -0.278 30 20 DBED CCN(CCN=c1cc[nH]cc1C#N)C(=O)[C@H]1COCCN1C 1106731725 DFXPGNZQZZGPMX-OAHLLOKOSA-N 317.393 -0.034 30 20 DBED CCN(CCNc1ccc(C#N)nn1)C(=O)[C@H]1CNC(=O)N1 1106928092 DYRZPTOAJLLTCP-SNVBAGLBSA-N 303.326 -0.710 30 20 DBED C=CCNC[C@@H]1CN(C(=O)CN2C(=O)CN(C)C2=O)C[C@H]1C 1106960588 USXDONCEKVDGGV-VXGBXAGGSA-N 308.382 -0.250 30 20 DBED C#CCN1CC(n2cc(CNC(=O)C[C@@H]3COC(=O)C3)nn2)C1 1107157608 WDABWWVGMNCKEL-NSHDSACASA-N 317.349 -0.663 30 20 DBED CN1C[C@H](C(=O)NC/C=C\CN=c2cc[nH]cc2C#N)CC1=O 1107568758 OLUGIRNSRNMZLJ-ZZKXABKFSA-N 313.361 -0.062 30 20 DBED C[C@@H](CNc1ccc(C#N)nn1)NC(=O)[C@@H]1CCN(C)C1=O 1108647218 PQJDILRYVJTQBR-ONGXEEELSA-N 302.338 -0.257 30 20 DBED CCO[C@@H](C)C(=O)NC[C@]1(O)CCN(c2cnc(C#N)cn2)C1 1111029571 MGCHHQXZMWKDNR-XHDPSFHLSA-N 319.365 -0.169 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H](CC)N(C)C 1111035471 BNGAWSNYKQMKHX-KBXIAJHMSA-N 320.437 -0.203 30 20 DBED N#Cc1c(F)cccc1N1CC[C@@](O)(CNC(=O)C(N)=O)C1 1111124700 RUVCBEYFONLRII-CQSZACIVSA-N 306.297 -0.760 30 20 DBED CCO[C@H](C)C(=O)N(C)[C@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1111174490 NDDOBVZTDDXSBV-WXHSDQCUSA-N 319.365 -0.219 30 20 DBED CC(=O)N[C@@H](C)C(=O)N(CCO)CCN=c1cc[nH]cc1C#N 1111414052 UKYKIKFPJMTGDP-NSHDSACASA-N 319.365 -0.867 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1COCCN1c1nccnc1C#N 1111663200 QTQSKSYAUIFVPV-QWRGUYRKSA-N 300.322 -0.171 30 20 DBED N#Cc1ccc(NC2(CNC(=O)CCNC(N)=O)CCC2)nn1 1111808515 WOEVSCAVTYFBDH-UHFFFAOYSA-N 317.353 -0.143 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(c2nc(C)ns2)C[C@H]1O 1112702020 NIVBXXLGNFNWDC-WDEREUQCSA-N 312.395 -0.038 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)c2ncn(C)n2)CC1 1112819977 PIZQXXWOPCTHSH-NSHDSACASA-N 306.370 -0.736 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)C[C@@H]2CCN(C)C2=O)CC1 1112997817 SAMNGJFLMIRXLM-ZDUSSCGKSA-N 322.409 -0.699 30 20 DBED COC[C@H](O)CN1C[C@H]2C(NC(=O)c3ccc(C#N)[nH]3)[C@@H]2C1 1114145743 VWUXHRLQNVRBFK-IJLUTSLNSA-N 304.350 -0.446 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1[C@@H]2CN(CCCOCC)C[C@@H]21 1114170382 PPLNTQFZLCLGNF-VIKVFOODSA-N 307.394 -0.401 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)[C@@H](OC)C3CC3)[C@@H]2C1 1114203819 JWLQMOKRVAZGND-JMSVASOKSA-N 305.378 -0.793 30 20 DBED C=C(C)CCN1C[C@@H]2C(NC(=O)CCS(=O)(=O)NC)[C@H]2C1 1114273253 JRSMKZNAGYPZOZ-RYUDHWBXSA-N 315.439 -0.062 30 20 DBED C#CCO[C@H](C)C(=O)NC1[C@H]2CN(Cc3cn(CC)nn3)C[C@H]12 1114273541 OFSBLSFJBDPTOX-XBFCOCLRSA-N 317.393 -0.117 30 20 DBED Cc1nocc1C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1114761373 KKHQGXTZNGAEGV-IWIIMEHWSA-N 303.322 -0.717 30 20 DBED C=CCO[C@H](C)C(=O)N[C@H]1[C@@H]2CN(CC(=O)N3CCC3)C[C@@H]21 1115331984 HPVJDZBNDMAXHN-CXTNEJHOSA-N 307.394 -0.144 30 20 DBED C=CCNC1(CNC(=O)CNS(=O)(=O)NC)CCCCC1 1115648338 LIQRIWTYLPQIKY-UHFFFAOYSA-N 318.443 -0.365 30 20 DBED C#CCSCCNC(=O)C(=O)N1C[C@@H](C)O[C@@H](COC)C1 1117461555 IYFBAFAJYBPGTC-VXGBXAGGSA-N 314.407 -0.269 30 20 DBED C#CCSCCNC(=O)C(=O)N1CC(=O)N[C@@H]2CCCC[C@@H]21 1117462494 YMYYULSKHVKYCL-NEPJUHHUSA-N 323.418 -0.261 30 20 DBED C#CC1CCN(C(=O)C(=O)NCC2(S(C)(=O)=O)CC2)CC1 1118222566 CUWCZGGHJREDDV-UHFFFAOYSA-N 312.391 -0.448 30 20 DBED CC(=O)N[C@H](C)C(=O)NC[C@@H](CO)Nc1ccc(C#N)nc1 1121009890 GBZOPEFJKJMFPU-RNCFNFMXSA-N 305.338 -0.633 30 20 DBED CN1CCC[C@@H]1C(=O)NC[C@H](CO)Nc1cncc(C#N)n1 1121242905 SFPSOWIUXZFXSR-VXGBXAGGSA-N 304.354 -0.669 30 20 DBED N#Cc1cnc(N[C@@H](CO)CNC(=O)c2cccc(O)n2)cn1 1121424620 DKPFWKMKULJPKA-SNVBAGLBSA-N 314.305 -0.348 30 20 DBED CN1CC[C@H](C(=O)NC[C@H](CO)Nc2ccc(C#N)cn2)C1 1121588997 DSUPRYSLNIJAEW-QWHCGFSZSA-N 303.366 -0.206 30 20 DBED COCC[C@@H](C)C(=O)NC[C@@H](CO)Nc1nccnc1C#N 1121606812 JPLGRFPYLKZEKG-MNOVXSKESA-N 307.354 -0.090 30 20 DBED Cc1nc[nH]c1C(=O)NC[C@H](CO)Nc1nccnc1C#N 1121724901 WUPHFPHRVTZCHZ-SECBINFHSA-N 301.310 -0.417 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)c2n[nH]cc2F)nn1 1122493872 JNUUTZPEXFTLAC-QMMMGPOBSA-N 305.273 -0.587 30 20 DBED C[C@@H]1[C@H](C(=O)NC[C@H](CO)Nc2nccnc2C#N)CCN1C 1122752068 FKWAXZKZSVYPHS-IJLUTSLNSA-N 318.381 -0.423 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H]1CC[C@H](NC(=O)CC(N)=O)C1 1123753020 NBXRONFDKSFNGD-JQWIXIFHSA-N 301.350 -0.053 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CC[C@H](CN=c2cc[nH]c(C#N)n2)C1 1123769666 JPQKOUMKCCRXAQ-WDEREUQCSA-N 316.365 -0.397 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]cc1C#N)C(=O)c1cccnn1 1124459755 DHOVEROTJVJDBP-GFCCVEGCSA-N 312.333 -0.290 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]cc1C#N)C(=O)[C@]1(F)CCOC1 1124665276 LMSKTYWFZALGBL-WFASDCNBSA-N 322.340 -0.265 30 20 DBED Cc1nn2c(=O)cc(CNCCNC(=O)[C@@H](C)C#N)nc2s1 1124896688 PFNMDLUXIPLXHA-QMMMGPOBSA-N 320.378 -0.175 30 20 DBED C[C@H](C#N)C(=O)NCCNCc1cn(C[C@@H]2CCOC2)nn1 1124903510 QXZYSGQBTCNFSZ-NEPJUHHUSA-N 306.370 -0.320 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)[C@@H]1CN(C)CCO1 1125227761 YUYHOLBLOQJWDX-AWEZNQCLSA-N 324.425 -0.777 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1cc(OC)ns1 1127617491 ATRWJLDQEUVRHW-VIFPVBQESA-N 310.379 -0.391 30 20 DBED C#CCNC(=O)CNCCNC(=O)COCc1ccc(C)cc1 1128828507 TUCICWHIFHKJQT-UHFFFAOYSA-N 317.389 -0.033 30 20 DBED CC#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H](COC)OC)C1 1129243725 TXEGSFAZBGOKFA-RDBSUJKOSA-N 321.381 -0.696 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1n[nH]c(C2CC2)c1Cl 1130827516 JGIHYLPVBDPNHO-UHFFFAOYSA-N 324.772 -0.100 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1cc(C)nc(OC)c1 1132969504 YTIWNGYZKTWJOL-LBPRGKRZSA-N 318.377 -0.144 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)c1ccnc(O)c1)NCC(=O)NCC#N 1134073455 RTQKWDCFBYPYON-WDEREUQCSA-N 319.365 -0.087 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)c1n[nH]c(C)c1O 1134088847 BGIBHFGIJCMHGT-UWVGGRQHSA-N 321.381 -0.340 30 20 DBED Cc1[nH]nc(C(=O)N[C@H](C)C[C@@H](C)NCC(=O)NCC#N)c1O 1134094541 FYSLLQLMTVVOPA-RKDXNWHRSA-N 322.369 -0.450 30 20 DBED Cc1noc(C)c1C[C@H](C)C(=O)NCCNCC(=O)NCC#N 1134921050 NADZEWYIBJUPRK-JTQLQIEISA-N 321.381 -0.184 30 20 DBED Cc1nc(C2CC2)oc1C(=O)NCCNCC(=O)NCC#N 1135019879 IJHVWCRUDGAALQ-UHFFFAOYSA-N 305.338 -0.180 30 20 DBED C=CCC[C@H](C)NCCNC(=O)[C@H](CCC(N)=O)NC(C)=O 1135384591 ICNUSOWNTHGGLZ-AAEUAGOBSA-N 312.414 -0.183 30 20 DBED CC#CCN[C@@H](C)C[C@@H](C)NC(=O)Cn1nc(C)n(C)c1=O 1136054204 ICAMXMVQPPNYLL-NWDGAFQWSA-N 307.398 -0.214 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)CCCn2cncn2)C1=O 1146797162 ZYLPSZTZVCJQRO-CYBMUJFWSA-N 320.397 -0.449 30 20 DBED CCS(=O)(=O)N[C@@H](C)C(=O)N1CC2(CCN(CC#N)C2)C1 1147611009 PQRJRLXYLMSZHC-NSHDSACASA-N 314.411 -0.628 30 20 DBED C=CCNC(=O)CN1CCC2(C1)CN(C(=O)[C@H](C)CC(N)=O)C2 1148033144 XTMWCCBAOQIBKI-GFCCVEGCSA-N 322.409 -0.666 30 20 DBED CSCC(=O)NC[C@H]1CN(CC(=O)NCC#N)CCCO1 1149106012 XGVZLPRPNOVIBV-NSHDSACASA-N 314.411 -0.804 30 20 DBED C=CCCC(=O)NC[C@H]1CN(CC(=O)NC(N)=O)CCCO1 1149361235 HIXWDGDKBXTIKV-NSHDSACASA-N 312.370 -0.645 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)[C@H](C)OCC=C 1153134982 KKFFKONCAXJKST-NSHDSACASA-N 312.370 -0.705 30 20 DBED N#CCNC(=O)CNCCCNC(=O)[C@@H]1CN2CCC1CC2 1158197368 XKIKXJGZHWDODB-CYBMUJFWSA-N 307.398 -0.936 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)c1cnn2c1CCC2 1159479271 ODXCCJSCWMWETM-LBPRGKRZSA-N 317.393 -0.323 30 20 DBED C#CCNC(=O)CNCC1(CCNC(=O)[C@H]2CCCN2C)CC1 1163822356 ZWNIOMSKZIGDIW-CQSZACIVSA-N 320.437 -0.294 30 20 DBED C[C@@H](CCCCNCC(=O)NCC#N)NC(=O)C1=COCCO1 1168970073 DGAKCUGUQAIOQG-LBPRGKRZSA-N 324.381 -0.221 30 20 DBED CC(C)c1cc(C(=O)NCCCNCC(=O)NCC#N)n(C)n1 1169968539 YUMPVZMRFDKSHS-UHFFFAOYSA-N 320.397 -0.107 30 20 DBED COCC#CCNCCCNC(=O)[C@H]1CCCS1(=O)=O 1176593656 OLTQVHVEOMNYEI-GFCCVEGCSA-N 302.396 -0.691 30 20 DBED CCNC(=O)CN1CCO[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21 1177005722 JLWIHBYHMLRFQU-LSDHHAIUSA-N 319.405 -0.162 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)CCCn3ccnn3)C[C@@H]21 1177036908 WUDWCCXIPNVJFV-GJZGRUSLSA-N 317.393 -0.007 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)[C@H](C)c1cnn(C)c1 1177678070 FGWXAQPCDYKQFH-CHWSQXEVSA-N 319.409 -0.243 30 20 DBED CNC(=O)NC(=O)CN[C@H]1CCN(C(=O)C#CC(C)C)[C@H]1C 1178648812 MZYUUVJFKANXPE-RYUDHWBXSA-N 308.382 -0.320 30 20 DBED COC[C@@H](O)CN1C[C@@H]2CCN(C(=O)CSCC#N)[C@@H]2C1 1186917763 ZLQPZTLRCFURKV-RWMBFGLXSA-N 313.423 -0.217 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)C[C@H]2COC(=O)C2)C1 1189654177 YWYMDRWEFOGBBW-CHWSQXEVSA-N 323.393 -0.226 30 20 DBED N#CCSCC(=O)N[C@@H]1CN(CC[C@H]2CCOC2)C[C@H]1O 1191161631 FMUIPELQRCQESR-YNEHKIRRSA-N 313.423 -0.169 30 20 DBED CN(C)c1noc(CN2C[C@@H](O)[C@H](NC(=O)C#CC3CC3)C2)n1 1192769772 BPRMUXOUSHFTRZ-VXGBXAGGSA-N 319.365 -0.790 30 20 DBED C=CCOCCN(C)[C@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C1 1192837860 SEPPNOKHNKJYNP-ZDUSSCGKSA-N 323.393 -0.226 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)CCCCC(N)=O)C1 1193390599 TZLLQTMJMXFUJF-ZDUSSCGKSA-N 322.409 -0.686 30 20 DBED CC1(C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@H]2O)C[C@H]2C[C@@H]2C1 1194893371 RNFLZYLRANMYQW-FDYHWXHSSA-N 320.393 -0.776 30 20 DBED C=C(C)C(C)(C)C(=O)N[C@@H]1CN(CCN2CCNC2=O)C[C@H]1O 1195254898 JZJZBWYEVXTJOS-CHWSQXEVSA-N 324.425 -0.225 30 20 DBED CCc1ncncc1C(=O)N[C@@H]1CN(CC#CCOC)C[C@H]1O 1198708381 XACLZLXYTJQWQA-HUUCEWRRSA-N 318.377 -0.536 30 20 DBED C#CCN[C@@H](CNC(=O)c1nnn(C)n1)c1ccccc1OC 1198834055 HAPWLVUIZHOSFK-LBPRGKRZSA-N 314.349 -0.087 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)C(C)(C)NC(=O)NCC=C)C1 1199095191 DQKMTVWQFUGMOP-CHWSQXEVSA-N 324.425 -0.012 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CCN(C(=O)[C@@H]2COCCO2)CC1 1199401074 RCOFYMZDIRDNBK-OCCSQVGLSA-N 323.393 -0.880 30 20 DBED N#CCSCC(=O)N1CCCO[C@@H](CNCCCO)C1 1199924370 SIAPJKZVALZVIT-LBPRGKRZSA-N 301.412 -0.167 30 20 DBED C#CCN1CCC(C(=O)N2CCC(CNCC(N)=O)CC2)CC1 1206948873 GVNISVNOZAAYJI-UHFFFAOYSA-N 320.437 -0.355 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@H](C)n2cncn2)C1 1207829950 VKXBPHJDMHCCSS-QWHCGFSZSA-N 320.397 -0.278 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)Cc2cncnc2)C1 1207920391 JBRDWRKEUIPWRD-CQSZACIVSA-N 315.377 -0.651 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)C2(COC)CC2)[C@H](C)C1 1207996260 GLPLWAZCYCYNHC-MGPQQGTHSA-N 321.421 -0.013 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)CNC(=O)CCC(C)C 1213580692 GRXUXKJYTGMIJC-CHWSQXEVSA-N 310.398 -0.122 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)c2[nH]cnc2C)[C@H](OC)C1 1213994894 GPBHPFXMPSBKCG-VXGBXAGGSA-N 321.381 -0.551 30 20 DBED C=CCOCCN[C@@H]1CN(C(=O)CN2CCOCC2)C[C@H]1C 1214454218 CBZLUHVUOVEPFZ-HUUCEWRRSA-N 311.426 -0.042 30 20 DBED C#CCCCCC(=O)N1CCO[C@@H]2CN([C@@H](C)C(N)=O)C[C@@H]21 1217670191 VLBWVTAVEIBGBH-MELADBBJSA-N 307.394 -0.035 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)/C=C(\C)C2CC2)C1 1219283920 FVGTUCHFAGPTAL-IBLQFINTSA-N 319.405 -0.358 30 20 DBED C[C@H](O)CCCN1C[C@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 1219418088 OCXVVDPUEXZBPY-GDLCADMTSA-N 306.366 -0.178 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)/C=C/C2CC2)C1 1219420268 OCBYAJGHPBBPOG-KRLPOIQQSA-N 305.378 -0.748 30 20 DBED CCn1nccc1C(=O)N[C@@H]1CN(CC#CCOC)C[C@@H]1O 1219505895 QJYYVWZMCOWNRL-OCCSQVGLSA-N 306.366 -0.672 30 20 DBED C=C(C)[C@@H](CC(=O)N[C@@H]1CN(CCCO)C[C@@H]1O)OCC 1219732258 REJFARROXVXJRC-HZSPNIEDSA-N 300.399 -0.099 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)COCc2nnc(C)s2)C1 1219955394 XJBDOBPLAZKWRW-NEPJUHHUSA-N 324.406 -0.452 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)CCCC#CC)C1 1220180357 AYGHWLGZFRVQGK-ZNMIVQPWSA-N 319.405 -0.521 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)Cc2occc2C)C1 1220314834 IXYHEUOFUUMDCL-OLZOCXBDSA-N 321.377 -0.406 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)c2nccs2)C1 1220597704 MOSQKTCBXJWQJZ-AXFHLTTASA-N 322.390 -0.944 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)CCOC2CCOCC2)C1 1220732045 IFEPRSTXXOYLFY-CABCVRRESA-N 310.394 -0.243 30 20 DBED COCCCNC(=O)CN1CC[C@@H]2CN(C(=O)[C@@H](C)C#N)[C@@H]2C1 1221446165 CDNHTBIEBCHDGL-BFHYXJOUSA-N 322.409 -0.169 30 20 DBED C=CCNC(=O)CN1CCC(CNC(=O)CNC(=O)CC)CC1 1222641641 QIMLWZGSEQCBPP-UHFFFAOYSA-N 324.425 -0.357 30 20 DBED C#CCOCCC(=O)N(C)C[C@H]1CCN1Cc1nc(O)n[nH]1 1234246117 IRQWJYQBWHJLGS-LLVKDONJSA-N 307.354 -0.417 30 20 DBED C#CCNC(=O)CN1CCC[C@H](NC(=O)c2cc[n+]([O-])cc2)C1 1265201012 FVWOJAAKUIFEKK-AWEZNQCLSA-N 316.361 -0.736 30 20 DBED CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N(C)CCNS(C)(=O)=O 1322784918 VZDKJBHAKSPLEZ-YPMHNXCESA-N 318.443 -0.090 30 20 DBED N#CCNC(=O)CNC(=O)N1CCOC2(CCOCC2)CC1 1323174045 KBLMYZZEJHIRRN-UHFFFAOYSA-N 310.354 -0.393 30 20 DBED CN(CCCO)C1CCN(C(=O)NCC(=O)NCC#N)CC1 1323853200 HXFBDDFLOVMPJA-UHFFFAOYSA-N 311.386 -0.886 30 20 DBED C#CCOCCNC(=O)C(=O)NC[C@H]1CCCCN1C1CC1 1324499377 IVIDZOCKHJWJNM-CQSZACIVSA-N 307.394 -0.115 30 20 DBED C=C(C)COCCNC(=O)C(=O)NCc1nnnn1C1CC1 1327045287 IWCFLTQKRKOFEN-UHFFFAOYSA-N 308.342 -0.667 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccn(CC)n1 1327254074 KEQUVRNSRAEGKA-UHFFFAOYSA-N 314.367 -0.442 30 20 DBED C=CC[C@H](NC(=O)c1cnn(C[C@H](O)CO)c1)C(=O)OCC 1328662529 WZYQPDTUEVGDRX-RYUDHWBXSA-N 311.338 -0.526 30 20 DBED C#CCSCCNC(=O)C(=O)NCc1ccc(C(N)=O)cc1 1329183520 PAQKGMRYFGNLJD-UHFFFAOYSA-N 319.386 -0.116 30 20 DBED C=C[C@@H](C)ONC(=O)C(=O)Nc1ncn(CC(=O)OCC)n1 1332628246 PDAYIBSAVKFAEX-MRVPVSSYSA-N 311.298 -0.598 30 20 DBED C#CCN(CC#CC)c1nnc(CCCS(N)(=O)=O)n1CC 1352795412 CUXDFLUZONQOTF-UHFFFAOYSA-N 323.422 -0.018 30 20 DBED CN(C)C(=O)COC1CN(C(=O)CNc2ccc(C#N)cn2)C1 1362201281 ZIUSNHSUEJQOEV-UHFFFAOYSA-N 317.349 -0.319 30 20 DBED CS(=O)(=O)NC1CN(C(=O)NCc2ccc(C#N)cn2)C1 1365401343 YVRQIPAXQWDWNQ-UHFFFAOYSA-N 309.351 -0.604 30 20 DBED C=C(Cl)CN[C@H]1CCN(C(=O)CS(=O)(=O)CCOC)C1 1376327106 BCFRESVURGURLL-NSHDSACASA-N 324.830 -0.009 30 20 DBED C[C@H](CNC(=O)[C@H](C)C#N)NC(=O)CCCS(C)(=O)=O 1377127389 CPIUABRBJMAWJM-NXEZZACHSA-N 303.384 -0.408 30 20 DBED CCN1CCO[C@H](C(=O)N(CCNC(=O)[C@@H](C)C#N)C2CC2)C1 1388679525 YJFVPAXODKVKJJ-JSGCOSHPSA-N 322.409 -0.026 30 20 DBED C=C(Cl)CN[C@H](C)CNC(=O)c1cn(CC(N)=O)nn1 1390529694 BSGGUKCYEYPQBY-MRVPVSSYSA-N 300.750 -0.776 30 20 DBED CCN1CCO[C@H](C(=O)N2CC(CNC(=O)[C@@H](C)C#N)C2)C1 1398811259 FOGXKFBDKYHUKH-AAEUAGOBSA-N 308.382 -0.559 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C)Cc1nc(O)c2cnn(C)c2n1 1399431773 AQMQLJLKISIIGB-VIFPVBQESA-N 317.353 -0.223 30 20 DBED CCS(=O)(=O)CC(=O)N(C)CCN(C)C(=O)[C@@H](C)C#N 1399717863 QJROJVQVOQNNPA-JTQLQIEISA-N 303.384 -0.502 30 20 DBED CCC[C@@H](NC(N)=O)C(=O)N(CC)CCNC(=O)[C@@H](C)C#N 1408790345 GPJOKKBPWZDFKV-WDEREUQCSA-N 311.386 -0.052 30 20 DBED C[C@H](C#N)C(=O)N(CCNC(=O)C1(NC(N)=O)CC1)C1CC1 1408910311 RRJKXPLAWZWCOZ-SECBINFHSA-N 307.354 -0.546 30 20 DBED C[C@H](C#N)C(=O)N(C)C[C@H]1CCN(C(=O)CNC(=O)C2CC2)C1 1408986889 MPWKPUJUURETHG-VXGBXAGGSA-N 320.393 -0.021 30 20 DBED COC(=O)N1CC(NC(=O)N2CCC(C#N)(C(=O)OC)CC2)C1 1413799199 WPOKHPNJTNVISL-UHFFFAOYSA-N 324.337 -0.075 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)CCCn2ccnc2)C1 1428796399 SYDLVFJDYVRBRO-JHJVBQTASA-N 319.365 -0.489 30 20 DBED Cc1n[nH]cc1CNC(=O)CCn1cc(C#N)c(O)nc1=O 1441172204 MYFNAZDIWJDNRJ-UHFFFAOYSA-N 302.294 -0.441 30 20 DBED C=C(Cl)CNC[C@@H](O)CN(C)C(=O)[C@@H]1CCCN1C(N)=O 1442066019 WLDRZHQZZIFPRF-MNOVXSKESA-N 318.805 -0.309 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CCN(C(=O)CCS(C)(=O)=O)C1 1454867634 GFAZFDMMCCBWEX-QWRGUYRKSA-N 315.395 -0.455 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1ccnc2ccnn12 1457993972 HRSWHBQNNWBLIE-UWVGGRQHSA-N 316.321 -0.904 30 20 DBED Cc1cc(=O)oc(C)c1C(=O)NC[C@H](O)CNC(=O)[C@H](C)C#N 1458016789 DJQIKQCVJQJINC-MWLCHTKSSA-N 321.333 -0.377 30 20 DBED Cc1cnc(CCNS(=O)(=O)N2CCO[C@@H](C#N)C2)cn1 1475368214 OVQXNJUISZPAEU-LBPRGKRZSA-N 311.367 -0.614 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(O)(CN[C@H](C)c2nncn2C)CC1 1484949390 FPERUFFCBPCNLK-NWDGAFQWSA-N 320.397 -0.021 30 20 DBED CCN1C[C@@H](C(=O)NCCN(CC)C(=O)[C@@H](C)C#N)CC1=O 1496787417 WFKVHOQWVIQDJV-RYUDHWBXSA-N 308.382 -0.021 30 20 DBED C[C@H](NC[C@@H](O)CNC(=O)c1cc(C#N)c[nH]1)c1nncn1C 1496963041 ZPRRWWCLVHRYIJ-GXSJLCMTSA-N 317.353 -0.544 30 20 DBED C=CCn1c(C[C@H](C)O)nnc1N1CCO[C@@H](CNC(C)=O)C1 1520350647 SVEWTELHRLOHAW-AAEUAGOBSA-N 323.397 -0.271 30 20 DBED C[C@H](CN(C)c1ccc(-c2nn[nH]n2)nn1)NC(=O)[C@H](C)C#N 1574793097 WLDLAXOQCNAGKL-RKDXNWHRSA-N 315.341 -0.243 30 20 DBED C[C@H]1CN(c2cnc(-c3nn[nH]n3)c(C#N)n2)C[C@@H](C)[C@@H]1O 1576364979 MVXMWBWYIORJLO-JDICNCQASA-N 300.326 -0.019 30 20 DBED C=CCCC(=O)N1CC(CCO)(NC(=O)[C@@H]2C[C@@H]2C(=O)O)C1 1588773665 DGQDDSNYXWDNBB-MNOVXSKESA-N 310.350 -0.247 30 20 DBED N#Cc1cccc(CNC(=O)CN2CCOC[C@H]2C(=O)O)c1 1594625532 KZTUFMWXEWJFLK-ZDUSSCGKSA-N 303.318 -0.040 30 20 DBED O=C(O)Cn1cccc(C(=O)N[C@H]2CCCN(O)C2=O)c1=O 1595154058 CRAACHRUBFWSEI-VIFPVBQESA-N 309.278 -0.957 30 20 DBED N#C[C@@]1(F)CCN(C(=O)NCCC(=O)NCCC(=O)O)C1 1601057488 ZWADCJFGAKLSAG-LBPRGKRZSA-N 300.290 -0.385 30 20 DBED C#C[C@@H](CO)NC(=O)[C@@H](CCC(=O)O)NC(=O)OC(C)(C)C 1602671504 VIDOOCSRLMRRMB-VHSXEESVSA-N 314.338 -0.145 30 20 DBED C#C[C@H](NC(=O)Nc1nn(C)cc1-c1nn[nH]n1)[C@@H]1CCCO1 1602689030 NZMVLDLZRKBCAA-UWVGGRQHSA-N 316.325 -0.098 30 20 DBED C#CC[C@@H](NC(=O)c1cnn(-c2ccc(O)nn2)c1C)C(=O)O 1602693064 FHWMPODJARWWIZ-SNVBAGLBSA-N 315.289 -0.117 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N1CCO[C@H](CC(=O)O)C1 1604059450 FSGMVQFZLDMNAT-NXEZZACHSA-N 305.356 -0.359 30 20 DBED N#CCCN1CCN(C(=O)[C@H]2CCCN(CC(=O)O)C2=O)CC1 1605585506 DFMREDNSJNGHHT-GFCCVEGCSA-N 322.365 -0.633 30 20 DBED N#CCNC(=O)CNC(=O)/C=C\c1ccccc1-c1nn[nH]n1 1609496145 PTXONRUNPBNSKN-WAYWQWQTSA-N 311.305 -0.364 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H]1CCCN(CCS(C)(=O)=O)C1 1732091395 LPWGGZGXHGRIBS-OLZOCXBDSA-N 316.423 -0.350 30 20 DBED CC#CCN1CCN(CCCNC(=O)c2cn(C)c(O)n2)CC1 1752351677 BMXKIAVSHGNMEY-UHFFFAOYSA-N 319.409 -0.114 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1C[C@H](NC(=O)Cc2ccn(C)n2)C1 1752628881 LLOCRMQCRDUBBW-UBHSHLNASA-N 317.393 -0.663 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H](C)CNC(=O)c1conc1COC 1752913639 LBAXHAURRNQZFT-MNOVXSKESA-N 322.365 -0.333 30 20 DBED C#CCNC(=O)CNC[C@H]1CCN(C(=O)CCCN(C)C)C1 1752948962 APZHZAHOUXFAKG-CQSZACIVSA-N 308.426 -0.484 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC(CNC(=O)CC[C@@H](C)OC)C1 1753400947 OBDFNDPUBNVZHS-CHWSQXEVSA-N 309.410 -0.013 30 20 DBED C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cn(CC(N)=O)nn1 1753428149 YGYHXFZAEADBEQ-RYUDHWBXSA-N 318.381 -0.372 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@@H](NC(=O)Cc1ncc[nH]1)C1CC1 1754454473 HFFSYQHIKCWAQI-DGCLKSJQSA-N 317.393 -0.426 30 20 DBED Cc1conc1C(=O)N1C[C@@H](C)[C@@H](CNCC(=O)NCC#N)C1 1754825408 KIONCVAHCKGKHP-PWSUYJOCSA-N 319.365 -0.080 30 20 DBED C#CCCCC(=O)N[C@@]1(CO)CCCN([C@@H](CC)C(N)=O)C1 1754854116 MVQCBQURBUUJFU-BBRMVZONSA-N 309.410 -0.003 30 20 DBED N#CCN1CCC[C@@](CO)(NC(=O)[C@@H]2CCc3nncn3C2)C1 1754861445 MIJYDJKXUVQYHX-IUODEOHRSA-N 318.381 -0.693 30 20 DBED C#CCCNCC1(NC(=O)C[C@H]2CC(=O)NC2=O)CCOCC1 1755099989 AXNDLVAFTCMERR-GFCCVEGCSA-N 321.377 -0.683 30 20 DBED Cc1nonc1CC(=O)N[C@@H](C)[C@H](C)NCC(=O)NCC#N 1755261638 GEGHGWVMFZRPEV-IUCAKERBSA-N 308.342 -0.957 30 20 DBED C=CCNC(=O)CN[C@@H](C)[C@@H]1CN(C(=O)c2cnco2)CCO1 1755444458 LRBONLIWPBIQOR-AAEUAGOBSA-N 322.365 -0.204 30 20 DBED CCC[C@@H](C(=O)N1C[C@H](NCC#N)C(C)(C)C1)S(N)(=O)=O 1755760715 SLHLKJNHODBVLP-QWRGUYRKSA-N 316.427 -0.206 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CCN(C)C1=O)N(C)C(=O)C#CC1CC1 1756062222 NJUKXOHPPRJZAZ-AAEUAGOBSA-N 305.378 -0.159 30 20 DBED C#CCCCC(=O)N[C@@H](C)[C@@H]1CN(C(=O)CC(N)=O)CCO1 1756217969 QJQZKIGSYQQZPW-RYUDHWBXSA-N 309.366 -0.603 30 20 DBED C=CC(C)(C)C(=O)NC[C@@H](CO)NC(=O)Cn1ccnc1C 1756539593 FCSHXQALRQKQMA-LBPRGKRZSA-N 308.382 -0.003 30 20 DBED C=CCCCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C)C2)C[C@H]1O 1757029109 XWNLJNLWCZKVAA-JHJVBQTASA-N 323.393 -0.491 30 20 DBED COC[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC#N)C2 1793437842 LRXJAUARBPAFST-FMSGJZPZSA-N 309.366 -0.228 30 20 DBED N#CC1(C(=O)N2CC3(CCCN3C(=O)[C@@H](N)CN)C2)CCC1 1843350927 OVVIPJBWGLUVMR-NSHDSACASA-N 305.382 -0.830 30 20 DBED Cn1c(=O)c2ccc(C(=O)N(CC#N)C3CC3)nc2n(C)c1=O 65894923 NMKFAHMLLTWNAU-UHFFFAOYSA-N 313.317 -0.240 30 20 DBED C=CCOCCCC(=O)NCCN1CCS(=O)(=O)CC1 79739406 QUPMOWVYBLSHPT-UHFFFAOYSA-N 304.412 -0.184 30 20 DBED C[C@H](CC#N)NC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 194646501 QKZBWJNCTIHVAF-MRVPVSSYSA-N 301.306 -0.336 30 20 DBED N#C[C@@H]1CN(C(=O)[C@H]2Nc3ccccc3S(=O)(=O)N2)CCO1 267366636 IAPLZBAUXQTHCD-SKDRFNHKSA-N 322.346 -0.533 30 20 DBED C=CCCS(=O)(=O)N1CCN(C(=O)C(=O)NC(C)C)CC1 268913121 ZKVLUSCRKQCWCC-UHFFFAOYSA-N 317.411 -0.439 30 20 DBED N#CCCCS(=O)(=O)N1CCN(c2nc(N)ns2)CC1 269109319 BTOXNLXVLUNXBX-UHFFFAOYSA-N 316.412 -0.124 30 20 DBED COC[C@@](C)(C#N)NC(=O)C1=CC=CN2CCS(=O)(=O)N=C12 269520643 QBYMYCPCIKSKEB-CYBMUJFWSA-N 324.362 -0.471 30 20 DBED N#CCCN(CCC#N)C(=O)CN1CCSC[C@@H]1C(N)=O 271623675 XGYHMXIMDOEPCJ-LLVKDONJSA-N 309.395 -0.455 30 20 DBED CC#CCCN1C(=O)C(=O)N(CCCN2CCOCC2)C1=O 274085327 OLPLEQPFMDTNTG-UHFFFAOYSA-N 307.350 -0.087 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H](OC)C2CC2)C1=O 294648527 RKLNOBBCYIFEEQ-SNVBAGLBSA-N 309.322 -0.496 30 20 DBED C[C@@H](C(=O)N/C(O)=N/C(C)(C)C)N1CCN(C(=O)CO)CC1 330490025 LRSVKZNTMAASLP-JTQLQIEISA-N 314.386 -0.660 30 20 DBED O=C(CN1CCSC[C@H]1CO)N/C(O)=N/CC(F)(F)F 330860065 VRBWRPIVXVOQOB-SSDOTTSWSA-N 315.317 -0.011 30 20 DBED COC(=O)[C@H](C)CN(C)S(=O)(=O)N1CCO[C@@H](C#N)C1 336898687 AKRDUBLCJWTNDT-ZJUUUORDSA-N 305.356 -0.804 30 20 DBED C=CCNC(=O)CNC(=O)N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 346832043 NPXDIFFITFFFBK-UWVGGRQHSA-N 305.400 -0.248 30 20 DBED N#CCNC(=O)CNC(=O)N1CCC[C@H](Cn2ccnn2)C1 358287356 CBDQFVQTLQOYIN-NSHDSACASA-N 305.342 -0.661 30 20 DBED Cc1ccnc(N2CCN(C(=O)NCC(=O)NCC#N)CC2)c1 358289053 FLXREGILNGSRIT-UHFFFAOYSA-N 316.365 -0.139 30 20 DBED C=CCNC(=O)CNS(=O)(=O)[C@@H]1CCC[C@H]1C(=O)OC 360135250 ZEQVBLNASLPQCM-NXEZZACHSA-N 304.368 -0.450 30 20 DBED C=CCOC[C@H](NC(=O)c1cc([N+](=O)[O-])nn1C)C(=O)OC 360726872 SPRWZXIDOJCJBN-QMMMGPOBSA-N 312.282 -0.198 30 20 DBED CC1(C)CCC[C@@]2(C1)NC(=O)N(CC(=O)NCC#CCO)C2=O 412323846 LKACFNNGNIPNKQ-INIZCTEOSA-N 321.377 -0.011 30 20 DBED C=C[C@H]1CCCCN1C(=O)C(=O)Nc1cnn(CC(N)=O)c1 427722914 WEAZHVGXEJNGQQ-NSHDSACASA-N 305.338 -0.126 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2C[C@H](OC)C2(C)C)C1=O 531475740 JDCIVKMBEVDJRN-UWVGGRQHSA-N 323.349 -0.107 30 20 DBED C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccn(C)n1 565478026 WWKSCYFPYMEMKI-SNVBAGLBSA-N 319.408 -0.216 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N[C@@H](C(=O)O)c1ccnn1C 576636778 JPBXTLWHIDYFKH-WCBMZHEXSA-N 315.355 -0.528 30 20 DBED COC(=O)CC[C@H](NS(=O)(=O)N(C)[C@H](C)CC#N)C(=O)O 579599543 SAGIPSUFJWONGQ-BDAKNGLRSA-N 321.355 -0.539 30 20 DBED C[C@@]1(CO)CCCN1C(=O)C(=O)N1CCN(CCC#N)CC1 601462191 SWNPAUNHXGORPQ-HNNXBMFYSA-N 308.382 -0.582 30 20 DBED CN1CCN(CCS(=O)(=O)c2ccc(C#N)cc2)[C@@H](CO)C1 602903532 IMXDQUMKAVGACF-CQSZACIVSA-N 323.418 -0.060 30 20 DBED C[C@@H](C(=O)N(C)CCC#N)n1cc(CN2CCNCC2)nn1 603187418 AFSPVBSCKMDLJY-LBPRGKRZSA-N 305.386 -0.384 30 20 DBED CNS(=O)(=O)[C@H]1CCCN(Cn2ccc(C)c(C#N)c2=O)C1 758224629 KGGCBUBPQBXQEG-LBPRGKRZSA-N 324.406 -0.001 30 20 DBED C=CCN1CC[C@@H](OC(=O)Cn2cc(C(=O)OC)nn2)C1=O 798661797 VXSMQXXLXOZCJP-SNVBAGLBSA-N 308.294 -0.605 30 20 DBED CC[C@H](O)CNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 817012355 LZNZRXYPHZGEBH-VIFPVBQESA-N 311.363 -0.388 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)OCC(=O)NC(=O)N[C@@H](C)COC 838004550 DLJVCMRTUVLWAY-AXFHLTTASA-N 314.338 -0.019 30 20 DBED C#C[C@@H](NC(=O)C(=O)N1CCN[C@@H](C(C)C)C1)[C@H]1CCCO1 842164503 WBRXPKZLOHRAOC-MGPQQGTHSA-N 307.394 -0.260 30 20 DBED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCOC2=O)c1 849212921 QBSMYIOENFCAOZ-LBPRGKRZSA-N 322.342 -0.357 30 20 DBED C[C@@H](C#N)CN(C)C(=O)C(=O)N1CC[C@@H](N2CCOC2=O)C1 850692748 ROEUPZMFHAJPAS-WDEREUQCSA-N 308.338 -0.342 30 20 DBED C#CC[C@@H](CCOC)NC(=O)NCCNC(=O)c1cc[nH]n1 858353253 JWTZCGSUZKGPCH-NSHDSACASA-N 307.354 -0.133 30 20 DBED C#CCN(C)CCCNC(=O)N[C@@H]1CCS(=O)(=O)[C@@H]1C 858493547 XWVWLOOUCZVIOQ-VXGBXAGGSA-N 301.412 -0.184 30 20 DBED C=CCS(=O)(=O)CCNS(=O)(=O)CC1(N(C)C)CC1 867088953 WHJXCEWKLXVIJP-UHFFFAOYSA-N 310.441 -0.399 30 20 DBED C=C1CN(C(=O)c2cnc3c(c2C)c(=O)n(C)c(=O)n3C)C1 898699915 WNOSZPYWVLILQZ-UHFFFAOYSA-N 300.318 -0.047 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)C23CCN(CC2)C3)CC1 900039535 YZWZRXUMKPJCAN-UHFFFAOYSA-N 306.410 -0.471 30 20 DBED C#CC1(O)CN(CC(=O)N(CCC(N)=O)Cc2ccccc2)C1 934440810 DHYXFBQEIYSOFF-UHFFFAOYSA-N 315.373 -0.430 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)CC(N)=O)C1 936963184 RNGYUXNBVAZONM-TUAOUCFPSA-N 309.366 -0.488 30 20 DBED C=CCN[C@@H]1CN(C(=O)CN2C(=O)NC(C)(C)C2=O)C[C@H]1C 939668405 ABXQVNQOIIHIHW-GHMZBOCLSA-N 308.382 -0.061 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cnn[nH]2)C[C@H]1C 940383008 HHZRMROMMMWSAB-WFFHOREQSA-N 319.365 -0.028 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCN(C(=O)[C@H](O)C(C)C)C2)nn1 940505174 WAAUAZDUESDJBZ-DGCLKSJQSA-N 321.381 -0.188 30 20 DBED Cc1nnsc1C(=O)NC[C@@H]1CN(C(=O)[C@H](C)C#N)CCO1 944472018 XIUDDFZRTDSHIZ-PSASIEDQSA-N 323.378 -0.037 30 20 DBED C=CCN1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C[C@@H]1C 947324452 SMSFYLGWEFXCDM-QWRGUYRKSA-N 306.370 -0.468 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CNC(=O)[C@H]2COC(=O)N2)CC1 949390462 GDOOBLUUVLYUFP-MWLCHTKSSA-N 308.338 -0.391 30 20 DBED CCN(C(=O)c1ccc(C#N)[nH]1)C1CN([C@@H]2CCNC2=O)C1 949912850 KDMTVBJTKAXCAN-CYBMUJFWSA-N 301.350 -0.079 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCN([C@H]2CCN(C)C2=O)CC1 950597710 VNSATGBJLZKNIM-RDBSUJKOSA-N 307.394 -0.048 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]1CNC(=O)c1cn(C)c(=O)cn1 951487171 AWORVGSOXJTETH-VHSXEESVSA-N 303.322 -0.729 30 20 DBED C#CCCN1C[C@@H](O)[C@H](CNC(=O)c2cccc(C(N)=O)c2)C1 958191164 ULKPVKAEIOZFGI-HUUCEWRRSA-N 315.373 -0.169 30 20 DBED C#CCCN1C[C@H](O)[C@H](CNC(=O)c2cc(C(N)=O)cn2C)C1 958220340 WURJQWMBASKXNG-OCCSQVGLSA-N 318.377 -0.830 30 20 DBED Cc1cn2ccnc(C(=O)NC[C@H]3CN(CC#N)C[C@@H]3O)c2n1 958578429 VDSFTMJQDABCET-RYUDHWBXSA-N 314.349 -0.416 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H]2CN(C(=O)c3cnn(C)n3)C[C@@H]21 960884572 SXMKLADHEWQDFK-ADEWGFFLSA-N 318.337 -0.973 30 20 DBED CCc1ocnc1C(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 961980821 ASJXIUSGOVSSEM-NEPJUHHUSA-N 317.345 -0.048 30 20 DBED C=CCCn1cc(C(=O)N[C@@H]2COC3(C2)CN(C(C)=O)C3)nn1 965711164 YKSHEWYWDBXQTG-LBPRGKRZSA-N 319.365 -0.026 30 20 DBED CO[C@@H](C)C(=O)N1CCN(C2CN(C(=O)C#CC3CC3)C2)CC1 967194746 NNTICWGYSCMLSM-ZDUSSCGKSA-N 319.405 -0.210 30 20 DBED N#Cc1ccc(CN[C@@H]2CCN(C(=O)Cn3ncnn3)C2)cc1 968683516 OROODGDZXZGKNC-CQSZACIVSA-N 311.349 -0.065 30 20 DBED C[C@@H](NC(=O)c1ccc(C#N)[nH]1)C1CN([C@@H]2CCNC2=O)C1 969515113 XDKAUGBCSTUWGV-NOZJJQNGSA-N 301.350 -0.175 30 20 DBED C[C@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)c1cnnn1C)C2 969804729 GGHJHNDXOWIYJS-VWYCJHECSA-N 302.338 -0.210 30 20 DBED C=CCn1cc(C(=O)N[C@@H](C)C2CN(CC(=O)NC)C2)nn1 970544125 HMWFGQWFWBOQDC-JTQLQIEISA-N 306.370 -0.740 30 20 DBED N#CCN1CCO[C@]2(CCN(C(=O)CCn3cncn3)C2)C1 972261361 ITAAIBLBIZKJSR-CQSZACIVSA-N 304.354 -0.505 30 20 DBED N#Cc1ccc(C(=O)NC[C@H]2C[C@H](NC(=O)c3cnn[nH]3)C2)[nH]1 979649313 QFVAJYOOFHPTTD-CZMCAQCFSA-N 313.321 -0.057 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CN(C(=O)[C@H]2CCC(=O)N2)C1 992027984 WQOBZAHGNQBMHC-SCRDCRAPSA-N 321.377 -0.427 30 20 DBED C=CCN1CCC[C@@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)[C@@H]1C 993920900 VSHLKHIKMZNEDY-WDEREUQCSA-N 322.365 -0.438 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CCOC2)C1 994752630 TVDQDCLTQFKRJI-JSGCOSHPSA-N 305.378 -0.553 30 20 DBED C[C@H](C#N)C(=O)N1CC(NC(=O)C[C@@H]2CCCS2(=O)=O)C1 996549209 DBZDPGQKARRTLX-KOLCDFICSA-N 313.379 -0.560 30 20 DBED C=CCN[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)N2)CC1(C)C 996639757 BSODGFGGZCULIU-WDEREUQCSA-N 301.412 -0.309 30 20 DBED N#CCNC1CCN(C(=O)Cc2ccc(C(N)=O)nc2)CC1 996713482 BKBKYQUEQGJIDE-UHFFFAOYSA-N 301.350 -0.173 30 20 DBED Cc1cc(C)n(CC(=O)N(C)C2CC(NCC#N)C2)c(=O)n1 999611240 QDEGIXUYIRQSOX-UHFFFAOYSA-N 303.366 -0.037 30 20 DBED C#CCN[C@@H]1CCCN(C(=O)C2(n3cnnn3)CCOCC2)C1 1000433689 ROPSOJNXKNOXRQ-CYBMUJFWSA-N 318.381 -0.607 30 20 DBED NC(=O)c1cc(C(=O)NCC2CN(C(=O)C#CC3CC3)C2)c[nH]1 1002016832 WEIOPXPNYPIHDF-UHFFFAOYSA-N 314.345 -0.285 30 20 DBED C[C@H](C#N)C(=O)N1CC([C@@H](C)NC(=O)c2cc(=O)n(C)cn2)C1 1006315406 ONBCZADVHGFTIE-NXEZZACHSA-N 317.349 -0.483 30 20 DBED CC1(C)CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1NC(=O)C(N)=O 1008523304 UFPMUXMZQGSCIO-SNVBAGLBSA-N 303.322 -0.662 30 20 DBED Cn1nncc1C(=O)NCC1[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]12 1009001619 LNVUUZKEAFGEBA-STQMWFEESA-N 313.361 -0.337 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCCO3)C[C@H]2O)c[nH]1 1023455366 WIQMERMYVMJYCL-UPJWGTAASA-N 318.333 -0.633 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(F)cn2)C1 1023474429 RKKYMSHSZWVZRE-GGZOMVNGSA-N 306.297 -0.318 30 20 DBED COc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2O)cn1 1024611775 CPDWZVKIZLDQOO-MVWJERBFSA-N 318.333 -0.449 30 20 DBED N#CCN1[C@H]2CC[C@H]1CN(C(=O)c1cnn3c(=O)cc[nH]c13)C2 1029506346 KRKZSLCBFDYDPF-QWRGUYRKSA-N 312.333 -0.165 30 20 DBED CC#CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCN(C)S1(=O)=O 1032677156 UOJCXCHRALVGFE-RWMBFGLXSA-N 311.407 -0.671 30 20 DBED C=CCn1cc(C(=O)N(C)[C@H]2CCN([C@@H](C)C(=O)NC)C2)nn1 1033483243 GLIUOLLRTVWLOC-RYUDHWBXSA-N 320.397 -0.255 30 20 DBED CN(C)C(=O)CN1CCO[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 1035335973 FXPVFKFVDNHLTD-CYBMUJFWSA-N 319.365 -0.595 30 20 DBED N#CCN1CC[C@H]2CN(C(=O)c3nccnc3C(N)=O)CC[C@H]21 1036889562 CMDXAMYYMTWXOK-WDEREUQCSA-N 314.349 -0.365 30 20 DBED C#CCN[C@@H]1CCN(C(=O)Cn2ncn(C)c2=O)C[C@H]1CC 1037867174 AAYOKDDUIVZOLX-CHWSQXEVSA-N 305.382 -0.568 30 20 DBED C=CCCOCC(=O)NC[C@]1(O)CCN(C(=O)c2cnco2)C1 1040160939 ITTLNKDLBAXYOR-OAHLLOKOSA-N 323.349 -0.040 30 20 DBED Cc1cc(C(=O)N[C@@H]2CN(c3ccc(C#N)nc3)C[C@H]2O)n[nH]1 1040949459 OBBTWHUAHODHPB-ZIAGYGMSSA-N 312.333 -0.036 30 20 DBED Cc1cc[nH]c1C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1O 1041006612 YCNFNUFRZPCLBY-GHMZBOCLSA-N 312.333 -0.036 30 20 DBED N#Cc1cncc(N2C[C@@H](O)[C@H](NC(=O)c3ccnnc3)C2)n1 1041357902 QQRKTEDNGYLFDZ-VXGBXAGGSA-N 311.305 -0.882 30 20 DBED N#Cc1ccc(N[C@@H]2C[C@H](NC(=O)C(N)=O)C23CCC3)nn1 1041613607 WBPHVDMEZHCEKM-ZJUUUORDSA-N 300.322 -0.327 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)Cc2ccnn2C)C1 1041956306 FGOVKAVPQRTHFT-UHFFFAOYSA-N 306.366 -0.382 30 20 DBED C=CCCOCC(=O)N1CC(O)(CNC(=O)[C@@H](C)COC)C1 1042036156 XWNZACMFVIKLPZ-LBPRGKRZSA-N 314.382 -0.449 30 20 DBED CC#CCN1CC[C@H]2CCN(C(=O)CN3C(=O)CNC3=O)C[C@@H]21 1042345215 JPYPXZKOTIYBQE-STQMWFEESA-N 318.377 -0.516 30 20 DBED N#CCN1CC[C@@H]2CCN(C(=O)c3nccnc3C(N)=O)C[C@@H]21 1042349704 SERUPMHNVRZNBZ-MNOVXSKESA-N 314.349 -0.365 30 20 DBED N#CCSCC(=O)N1CC(O)(CNC(=O)C2[C@@H]3CCC[C@@H]23)C1 1042386221 CLTLDLUPAUZRKS-GHMZBOCLSA-N 323.418 -0.021 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)C[C@@H]2COC(=O)C2)C1 1042553767 FKMHQTWTLTUREK-LBPRGKRZSA-N 322.361 -0.712 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)[C@H]2C[C@H]2C(=O)OC)C1 1042803036 QYTUCQDPZTZJQF-NWDGAFQWSA-N 322.361 -0.712 30 20 DBED CC(C)(O)CC(=O)NCC1(O)CN(C(=O)CSCC#N)C1 1042827800 YOXMBTVFCXHRTA-UHFFFAOYSA-N 315.395 -0.906 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)CCn2cncn2)C1 1042936754 PAFKZLNOHJFPGY-UHFFFAOYSA-N 319.365 -0.983 30 20 DBED N#Cc1cccnc1N1C[C@H](O)[C@H](NC(=O)c2cnns2)C1 1043862464 BTBYRQSQXVONBQ-ZJUUUORDSA-N 316.346 -0.216 30 20 DBED C#Cc1ccc(C(=O)N(C)C2CN(Cc3nnn(C)n3)C2)cn1 1044205946 POZIAIZARYSZJH-UHFFFAOYSA-N 311.349 -0.457 30 20 DBED C=CCCCC(=O)NCC1(O)CN(C(=O)[C@H]2CCC(=O)N2)C1 1045450970 HOIGXHZIMWRFER-LLVKDONJSA-N 309.366 -0.689 30 20 DBED CCc1ocnc1C(=O)N1CC(O)(CNC(=O)[C@@H](C)C#N)C1 1045541365 UZDKHAAPMKGXKL-VIFPVBQESA-N 306.322 -0.300 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)c2ncccc2O)C1 1045541369 VBHOSNGMGNIPDN-VIFPVBQESA-N 304.306 -0.750 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)[C@H]1CN([C@H](C)COC)C[C@@H]1O 1047415320 SZSWLACWOKJMSA-UGUYLWEFSA-N 323.437 -0.378 30 20 DBED CC(=O)N1CCCC[C@@H]1CC(=O)N(C)[C@H]1CN(CC#N)C[C@@H]1O 1047557798 MYZZGPKSDRALBM-ILXRZTDVSA-N 322.409 -0.195 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCN(C(=O)CC)C2)C1 1047588358 KDUSZKPXWRGHAF-IHRRRGAJSA-N 309.410 -0.066 30 20 DBED CC#CCN1C[C@H]2CN(C(=O)c3ccc(=O)n(C)n3)C[C@H]2C1 1049203244 XZYYRXZICAHRBK-BETUJISGSA-N 300.362 -0.193 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@]2(C)CCNC2=O)C1 1049560167 QEIXMJGSMRCNPJ-MQIPJXDCSA-N 323.393 -0.491 30 20 DBED C=CCOCC(=O)N1C[C@@H](C)[C@H](CNC(=O)Cn2cncn2)C1 1052219852 DSPLZNGOSQZQDE-CHWSQXEVSA-N 321.381 -0.309 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)[C@@H]1CN(C)CCO1)CCO2 1053202062 DSSDISXGEAQYPR-AWEZNQCLSA-N 307.394 -0.747 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)Cc1nnc(C)o1)CCO2 1053245746 HTHCUXMKAGEQNF-UHFFFAOYSA-N 304.350 -0.143 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)[C@]1(C)CCC(=O)N1)CCO2 1053415791 FIMUDROMIITRBW-HNNXBMFYSA-N 305.378 -0.408 30 20 DBED C#CCN1CC2(C1)CN(C(=O)c1cc(C(N)=O)c[nH]1)CCO2 1053485710 NMMZHPALVRXYLS-UHFFFAOYSA-N 302.334 -0.726 30 20 DBED C#CCN1CC2(C1)CN(C(=O)c1cccc(C(N)=O)n1)CCO2 1053546896 XNWQNRNHTKUPIS-UHFFFAOYSA-N 314.345 -0.660 30 20 DBED C=CCN1CC2(C[C@H](NC(=O)[C@@H](C)N3C(=O)CCC3=O)CO2)C1 1053820864 NSBGBSUQNMTJNQ-NEPJUHHUSA-N 321.377 -0.331 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)C(=O)N3CC[C@@H](C)C3)CO2)C1 1053979847 CAOMRPYAGCDMQK-KGLIPLIRSA-N 319.405 -0.162 30 20 DBED N#Cc1cnc(N2C[C@H]3C(NC(=O)CN4CCCC4)[C@@H]3C2)cn1 1056224817 FTSAQTQRIDJBDT-CHWSQXEVSA-N 312.377 -0.005 30 20 DBED N#Cc1ccc(N2C[C@H]3C(NC(=O)Cn4ccnc4)[C@@H]3C2)nn1 1056245212 MNPFBUXTXUVKCC-VXGBXAGGSA-N 309.333 -0.204 30 20 DBED C#CCOCCC(=O)N1CC[C@H]2[C@H]1CCCN2C(=O)CC(N)=O 1056323485 FSERTXVABNKADQ-OLZOCXBDSA-N 321.377 -0.506 30 20 DBED Cn1nnc(C(=O)NC2[C@H]3CN(c4ccc(C#N)cn4)C[C@H]23)n1 1056372027 GJAXGHCTKOEUOL-UWVGGRQHSA-N 310.321 -0.659 30 20 DBED C=CCCO[C@@H](C)C(=O)N(CCO)CCNC(=O)[C@@H](C)OC 1057143860 DIYXHNIVXNIQGN-OLZOCXBDSA-N 316.398 -0.060 30 20 DBED N#Cc1ccc(NC2CCN(C(=O)[C@@H]3CCNC3=O)CC2)nn1 1057399084 RMIRDPHKOQWPMX-GFCCVEGCSA-N 314.349 -0.113 30 20 DBED CCCN(C)CC(=O)NCCN(CCO)C(=O)C#CC(C)C 1057519249 NHQBHBKTSSJBPH-UHFFFAOYSA-N 311.426 -0.075 30 20 DBED Cc1c(CC(=O)N(CCO)CCNC(=O)[C@@H](C)C#N)cnn1C 1057819148 AJJODHUQOOMTKZ-NSHDSACASA-N 321.381 -0.632 30 20 DBED N#Cc1cncc(N2CCC(NC(=O)Cn3nccn3)CC2)n1 1057906290 TWMCSVGDUYBGIN-UHFFFAOYSA-N 312.337 -0.275 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 1057968658 IGEUUEZYFDNPID-QJPTWQEYSA-N 319.365 -0.390 30 20 DBED N#Cc1cnc(N2CCC[C@H](NC(=O)Cn3nccn3)C2)cn1 1058199876 JNWKDPQHBIJYMV-NSHDSACASA-N 312.337 -0.275 30 20 DBED C=C[C@@H](CC)CC(=O)N(CCO)CCNC(=O)CC(=O)NC 1058466665 SLKQGNBJWLLAPD-LBPRGKRZSA-N 313.398 -0.338 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)[C@@H]1CN(C)C[C@@H]1C 1058849445 UHYVJKOPPGJRQV-LSDHHAIUSA-N 323.437 -0.219 30 20 DBED O=C(C#CC1CC1)NCCN(CCO)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 1058917788 LOWKSURJZSTLHG-KFWWJZLASA-N 320.389 -0.096 30 20 DBED N#Cc1ccc(N[C@H]2CCN(C(=O)[C@H]3CNC(=O)N3)C2)nn1 1059049564 VKRYPZWWHLMZKJ-VHSXEESVSA-N 301.310 -0.958 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[C@@H]1CCN(C(=O)C(N)=O)C1 1060281967 QVFDEYUDQUFXBU-AGIUHOORSA-N 323.393 -0.192 30 20 DBED C#CCO[C@H](C)C(=O)N1CCOC[C@H]1CNC(=O)C(F)F 1061177526 GYCMGAQGVIZDRS-NXEZZACHSA-N 304.293 -0.367 30 20 DBED C=CCC1(C(=O)NC[C@@H]2COCCN2C(=O)C(N)=O)CCCC1 1061699013 GHYJIOFRLIOZDU-GFCCVEGCSA-N 323.393 -0.048 30 20 DBED Cn1ncc(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccnc(C#N)n2)c1N 1062479663 FAEVVEMZYZKLNM-UWVGGRQHSA-N 324.348 -0.233 30 20 DBED C#CCO[C@H](C)C(=O)NC1(CNC(=O)[C@H]2COC(=O)N2)CCC1 1062904402 ZYSJNLJSHWTIMV-GHMZBOCLSA-N 323.349 -0.712 30 20 DBED C=CCOCC(=O)NC1(CNC(=O)[C@H]2CN(C)C(=O)N2)CCC1 1063916254 ZGTSOMMJSYMTEG-LLVKDONJSA-N 324.381 -0.632 30 20 DBED CCc1nc(C#N)cc(NC[C@H]2CN(C(=O)C(N)=O)C[C@H]2C)n1 1065900644 MQBUFBBSEIGACS-ZJUUUORDSA-N 316.365 -0.098 30 20 DBED N#Cc1cnc(N2C[C@@H](O)[C@H](CNC(=O)c3ccccn3)C2)cn1 1067643131 QMRXWCIQEDQSNB-BXUZGUMPSA-N 324.344 -0.030 30 20 DBED N#Cc1cnc(N2C[C@@H](O)[C@@H](CNC(=O)c3ccccn3)C2)cn1 1067643134 QMRXWCIQEDQSNB-SMDDNHRTSA-N 324.344 -0.030 30 20 DBED C#CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2cnns2)C1 1069900669 PEGPYEUJHOYWCN-MNOVXSKESA-N 317.378 -0.192 30 20 DBED N#CCN1C[C@H]2C[C@@H]3CN(C(=O)Cn4cncn4)C[C@@]3(C1)O2 1070887376 JAEABLMGYNWYPI-YRGRVCCFSA-N 302.338 -0.897 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCC[C@@H](NC(=O)Cn2nccn2)C1 1070903591 GDDHKYZUFAIVFA-QWHCGFSZSA-N 321.381 -0.024 30 20 DBED COC(=O)NCC(=O)N1C[C@@H](C)[C@@H](NC(=O)C#CC2CC2)C1 1071714269 OFDNWZSHGSGKDE-PWSUYJOCSA-N 307.350 -0.281 30 20 DBED COC(=O)NCC(=O)N1C[C@H](C)[C@H](NC(=O)C#CC(C)C)C1 1071715508 YDPFELXEGVOBPQ-NWDGAFQWSA-N 309.366 -0.035 30 20 DBED CC(=O)N1CC(C(=O)N2C[C@@H](C)[C@@H](NC(=O)C#CC3CC3)C2)C1 1071977830 GBMMSUDHGUNIAZ-ABAIWWIYSA-N 317.389 -0.159 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCN(CC(=O)N3CCOCC3)C2)C1 1072551157 BILIOSGLRPJDQE-ZDUSSCGKSA-N 320.393 -0.461 30 20 DBED C[C@H](C#N)C(=O)N1CCC(C)(NC(=O)Cn2ncnn2)CC1 1073229285 VAQSCGQOWSGKRV-SNVBAGLBSA-N 305.342 -0.670 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)[C@@H]2CCS(=O)(=O)C2)C1 1073684692 XZAQERYAGRQNLO-OLZOCXBDSA-N 314.407 -0.739 30 20 DBED N#CCN1CCO[C@@H]2CCN(C(=O)CCN3CCOCC3)C[C@@H]21 1074360672 PFIQVGMHLSOSAA-LSDHHAIUSA-N 322.409 -0.466 30 20 DBED C=C1CC(C)(C(=O)N2CCC(O)(CNC(=O)CC(N)=O)CC2)C1 1074723728 IFHJAZBWOSDYHL-UHFFFAOYSA-N 323.393 -0.312 30 20 DBED C#CCOCCC(=O)NCC[C@H](C)NC(=O)Cn1ccnc1 1076507602 NNDOXHXRGMREHU-ZDUSSCGKSA-N 306.366 -0.066 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN([C@@H](CC)C(N)=O)C[C@H]2O)nc1 1078031390 RAJLVTJPPRVBBU-HZSPNIEDSA-N 316.361 -0.898 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3nncn3C2)C1 1078219819 OJJYZKBMQAZOMY-JHJVBQTASA-N 305.382 -0.422 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1cn(C[C@H]2CCOC2)nn1 1080688045 QRWVRWQLADVHPK-JHJVBQTASA-N 318.381 -0.112 30 20 DBED CC#CCCCC(=O)NC1(CO)CCN(C(=O)CC(N)=O)CC1 1080952631 ZGIBVBDZCZJTPE-UHFFFAOYSA-N 323.393 -0.475 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H](CNC(=O)CCC=C)[C@@H](O)C1 1081336166 UUWDXOXUBMCJRO-STQMWFEESA-N 321.377 -0.972 30 20 DBED C#CCN1C[C@@H](NC(=O)C[C@@H]2CCS(=O)(=O)C2)[C@H](OC)C1 1081913346 VMXMNHKXOGSCIM-YNEHKIRRSA-N 314.407 -0.740 30 20 DBED C[C@@H]1CN(C(=O)C[C@]2(C)CCS(=O)(=O)N2)C[C@H]1NCC#N 1082884509 XCVKVRQGTFJVBK-WZRBSPASSA-N 314.411 -0.582 30 20 DBED Cn1ncnc1CN1C[C@H]2[C@@H](C1)OCCN2C(=O)C#CC1CC1 1083078318 XRDALBHFQQPAER-UONOGXRCSA-N 315.377 -0.360 30 20 DBED Cn1ncc(C(=O)N[C@@H]2CN(CC#N)C[C@@H]2O)c1-n1cccc1 1083686784 KQUUBQQGXCIARF-OLZOCXBDSA-N 314.349 -0.491 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2ccnc(-n3ccnc3)c2)C1 1084069452 BZOVYTDKVAEPSW-KGLIPLIRSA-N 311.345 -0.325 30 20 DBED C=CCCN1CC[C@@H]2CN(C(=O)CN3CCNC(=O)C3)[C@@H]2C1 1084574882 QUGXKXAVYCCBJL-ZIAGYGMSSA-N 306.410 -0.473 30 20 DBED CC#CCN1CC[C@@H]2CN(C(=O)C[C@@H]3NC(=O)NC3=O)C[C@@H]2C1 1087997424 FPBZOFBBSLIYRL-AGIUHOORSA-N 318.377 -0.612 30 20 DBED Cn1cc(C(=O)N2CCCCC[C@@H](NCC#N)C2)c(O)nc1=O 1088425089 NMXDIJXXLHDDPP-LLVKDONJSA-N 319.365 -0.016 30 20 DBED N#CCSCC(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1O 1090394958 UGAWBZWXSUDCDE-GHMZBOCLSA-N 318.362 -0.729 30 20 DBED COCC[C@H](C)C(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1O 1090429336 ZYZFEAIHTYFOPK-CYZMBNFOSA-N 319.365 -0.313 30 20 DBED C[C@H](CC(N)=O)C(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@H]1O 1090512436 IGGGQUBBIZASTK-IRUJWGPZSA-N 317.349 -0.870 30 20 DBED CC#CCN1C[C@@H]2CN(C(=O)C3CS(=O)(=O)C3)C[C@]2(C)C1 1091699385 JWCPQRQPLYJUEU-HIFRSBDPSA-N 310.419 -0.165 30 20 DBED CN(C)CCC(=O)N[C@H]1[C@@H]2CN(c3ccc(C#N)nn3)C[C@@H]21 1093342627 PVEFAJSURZQYHB-JYAVWHMHSA-N 300.366 -0.149 30 20 DBED Cn1cc(C(=O)NCc2cn(C3CN(CC#N)C3)nn2)nc1O 1094315578 SXDHVCYKEHABIG-UHFFFAOYSA-N 316.325 -0.973 30 20 DBED N#Cc1cnc(NCCCNC(=O)CC2CS(=O)(=O)C2)cn1 1094651826 IFLCHKQWIRGJTL-UHFFFAOYSA-N 323.378 -0.299 30 20 DBED N#CCN1CC(N2C[C@@H](NC(=O)[C@H]3CCCOCC3)CC2=O)C1 1094733848 OJESMMQQOBZSDB-STQMWFEESA-N 320.393 -0.272 30 20 DBED C#CCCN1CC(N2C[C@H](NC(=O)[C@H]3CC[C@@H](C)O3)CC2=O)C1 1094788372 RMQOXZUXMFXKAV-UMVBOHGHSA-N 319.405 -0.022 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)Cn3ccnc3C)CC2=O)C1 1094816902 GUWKFFNVBSVDQF-ZDUSSCGKSA-N 315.377 -0.774 30 20 DBED CCC(=O)N[C@H](C)C(=O)NCCCN=c1cc[nH]c(C#N)n1 1094842780 QKYGNUBZMRYOEQ-SNVBAGLBSA-N 304.354 -0.397 30 20 DBED CNC(=O)NCC(=O)N1CCC[C@H](N=c2cc[nH]cc2C#N)C1 1095329889 DKHOSNYSPCUWLR-LBPRGKRZSA-N 316.365 -0.293 30 20 DBED CC(=O)N[C@@H](C)C(=O)NCCCN(C)c1nccnc1C#N 1095487411 SREDOBZJCJQVLI-JTQLQIEISA-N 304.354 -0.185 30 20 DBED CN(CCCNC(=O)C(=O)NCC1CC1)c1cncc(C#N)n1 1095617952 YDLGGHPRMVEOOY-UHFFFAOYSA-N 316.365 -0.183 30 20 DBED CN(CCCNC(=O)[C@@H]1CCC(=O)N1C)c1cncc(C#N)n1 1095696527 DLNSZHDEANMWDL-LBPRGKRZSA-N 316.365 -0.088 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H](CNC(=O)[C@H]1COC(=O)N1)C1CC1 1096660780 ZVBCXQKRPFRXNN-QWHCGFSZSA-N 315.333 -0.210 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H](C)N=c1cc(C)[nH]cc1C#N 1097768893 UYXNQCRXCIHPFL-LBPRGKRZSA-N 313.361 -0.260 30 20 DBED Cc1cc(=N[C@H](C)CNC(=O)[C@@H]2CN(C)C(=O)N2)c(C#N)c[nH]1 1098213562 KTPYUQQKCBYUSZ-MFKMUULPSA-N 316.365 -0.376 30 20 DBED Cc1ccc(C#N)c(N[C@H](C)CNC(=O)[C@H]2CNC(=O)N2)n1 1098250094 HCQZZOWZCVCPMQ-MWLCHTKSSA-N 302.338 -0.140 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)C2=CCOCC2)[C@H](O)C1 1099785908 JXTGFXCRTCFGCQ-HUUCEWRRSA-N 308.378 -0.466 30 20 DBED CC(C)C#CC(=O)N[C@H]1CCN(CC(=O)N2CCC2)C[C@@H]1O 1099821298 SQQZYJSLTWLHGW-KBPBESRZSA-N 307.394 -0.571 30 20 DBED Cc1nnc(CN2CC[C@@H](NC(=O)C#CC3CC3)[C@H](O)C2)o1 1099825800 AOEAGNQHASIOLM-CHWSQXEVSA-N 304.350 -0.157 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CCn2ccccc2=O)[C@H](O)C1 1099866914 PIOQWTWITUJUEC-HUUCEWRRSA-N 317.389 -0.187 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)CN(C)C2CCC2)[C@@H](O)C1 1099879556 LYLYYYMAJSQVQB-CVEARBPZSA-N 323.437 -0.328 30 20 DBED CN(CCNC(=O)[C@@H]1CCS(=O)(=O)N1)c1ccncc1C#N 1100120569 FOYLMURHFBDMST-NSHDSACASA-N 323.378 -0.803 30 20 DBED CCN(CCNC(=O)CNC(=O)OC)c1cncc(C#N)n1 1100451244 BDXSITBARGIGHH-UHFFFAOYSA-N 306.326 -0.353 30 20 DBED CCN(CCNC(=O)c1nnn(C)n1)c1ccncc1C#N 1100679413 VPXOHATVNWMGPX-UHFFFAOYSA-N 300.326 -0.267 30 20 DBED CCN(CCNC(=O)[C@H]1CC[C@H]1C(N)=O)c1cnc(C#N)cn1 1100695491 XBXZGQYQUHGAPU-NEPJUHHUSA-N 316.365 -0.198 30 20 DBED CC(=O)N(C)CC(=O)NCCN(c1nccnc1C#N)C1CC1 1101299597 ILERYFRLUKSDBC-UHFFFAOYSA-N 316.365 -0.088 30 20 DBED CNC(=O)CC(=O)NCC[C@H]1CCN(c2cncc(C#N)n2)C1 1102312195 RFLIGHWHJVFAQC-NSHDSACASA-N 316.365 -0.183 30 20 DBED CC#CCN1C[C@@H](C)[C@H](CNC(=O)CN2C(=O)CCC2=O)C1 1102563073 IQXYXQDZJMPGHG-CHWSQXEVSA-N 305.378 -0.157 30 20 DBED C=C(Cl)CN1C[C@@H](C)[C@H](CNC(=O)CS(=O)(=O)NC)C1 1102581757 FJBWOBOPGPUEOU-MWLCHTKSSA-N 323.846 -0.028 30 20 DBED C[C@H](NC(N)=O)C(=O)N1CCC[C@@H]1CNc1cnc(C#N)cn1 1103800767 BNDDQHZSIVXWMT-GXSJLCMTSA-N 317.353 -0.192 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)[C@H]1COCCN1C 1103922400 BMOJOEKITHBHFR-VXGBXAGGSA-N 318.381 -0.735 30 20 DBED CC#CCNCC[C@@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@H]1C 1104487398 VZNKMAAFXTZVKD-HUUCEWRRSA-N 320.437 -0.484 30 20 DBED C#CCNCc1cn(C2CN(C(=O)[C@]3(C)CCOC3)C2)nn1 1105350213 YOBVXVPKSZFMCQ-OAHLLOKOSA-N 303.366 -0.189 30 20 DBED N#Cc1cnc(NC[C@@H](O)CNC(=O)c2cc[n+]([O-])cc2)cn1 1105715662 ZKWDWSOUWRBKJX-GFCCVEGCSA-N 314.305 -0.816 30 20 DBED N#CCN1CC(OC2CCN(C(=O)CCCC(N)=O)CC2)C1 1105736258 SQVWTZQRWVLJIX-UHFFFAOYSA-N 308.382 -0.143 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@H](O)CNc1cncc(C#N)n1 1105806297 UCAKHLLQXIZGIB-SMDDNHRTSA-N 305.338 -0.436 30 20 DBED Cc1cc(=NC[C@H](O)CNC(=O)c2cnnn2C)c(C#N)c[nH]1 1105834190 WMISEOYUXVVZQO-NSHDSACASA-N 315.337 -0.985 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)Cc2ccon2)C[C@H]1C 1105964583 NUHIOHYRCKCMGF-CHWSQXEVSA-N 318.377 -0.349 30 20 DBED Cc1ncn(C)c1C(=O)NC[C@@H](O)CNc1ccc(C#N)nn1 1105999075 KXANFMSEPLJAOR-NSHDSACASA-N 315.337 -0.407 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@@H](C)[C@H](CNCC(=O)NC2CC2)C1 1106111754 QYRVZSJZIBCUHF-HZSPNIEDSA-N 321.421 -0.013 30 20 DBED Cc1nnccc1C(=O)NC[C@H](O)CNc1cnc(C#N)cn1 1106173537 VYVULQPTCLNTBQ-LLVKDONJSA-N 313.321 -0.351 30 20 DBED C[C@@H]1CN(C(=O)c2cncn2C)C[C@H]1CNCC(=O)NCC#N 1106380639 JTVMDLYERMYBEN-VXGBXAGGSA-N 318.381 -0.642 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)[C@H]1CC[C@@H]1C(N)=O 1106909590 MOMVTMXKQSLBKQ-QWRGUYRKSA-N 316.365 -0.458 30 20 DBED N#Cc1nc(=NC/C=C\CNC(=O)c2cc[n+]([O-])cc2)cc[nH]1 1107021357 RDCDVXGHBMKTBX-UPHRSURJSA-N 310.317 -0.198 30 20 DBED N#Cc1cncc(NC/C=C\CNC(=O)[C@H]2COCCO2)n1 1107050854 MCRYILBRWAXLBY-UDSFMNFJSA-N 303.322 -0.152 30 20 DBED C=CCN1CC(n2cc(CNC(=O)[C@H](COC)OC)nn2)C1 1107207765 DQVMLACCXVILES-ZDUSSCGKSA-N 309.370 -0.402 30 20 DBED C[C@H](CNc1ccc(C#N)nn1)NC(=O)c1cn(C)c(=O)n1C 1107798863 WQWZWGTYUNSXLG-SECBINFHSA-N 315.337 -0.384 30 20 DBED C=CCCC(=O)NC[C@@]1(C)CN([C@@H]2CCC(=O)NC2=O)CCO1 1107801967 FSPCDXVHLSJIBF-WBMJQRKESA-N 323.393 -0.035 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)c2ccn(C)c(=O)c2)C1 1108031669 COAFZCFGGKPORX-INIZCTEOSA-N 303.362 -0.161 30 20 DBED C[C@H](CNc1ccc(C#N)nc1)NC(=O)CN1CCOCC1=O 1108179579 MDKDISRBUCQOEH-LLVKDONJSA-N 317.349 -0.271 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)[C@@H](C)NC(C)=O)CC2=O)C1 1108499014 DMOJZJQANVSMIC-ZYHUDNBSSA-N 308.382 -0.902 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1nc(O)n[nH]1 1110547120 BXSMOBMZENSMPG-KKOKHZNYSA-N 319.365 -0.230 30 20 DBED C[C@H](N=c1cc[nH]c(C#N)n1)[C@@H](C)NC(=O)Cn1cncn1 1113030494 BSKSNJHMHMVXOO-VHSXEESVSA-N 300.326 -0.633 30 20 DBED COCc1cc(C(=O)N2CCN(CC(=O)NCC#N)CC2)no1 1113409936 GVUQMVNKUDIALU-UHFFFAOYSA-N 321.337 -0.781 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CCNC1=O)N(C)c1ccc(C#N)nn1 1113802520 OOBMSBIPUMGHQA-GXSJLCMTSA-N 302.338 -0.575 30 20 DBED C[C@H](C(=O)NC1CC1)N1C[C@H]2C(NC(=O)CSCC#N)[C@@H]2C1 1113899847 VQXNOZDDZDBVNR-YUSALJHKSA-N 322.434 -0.043 30 20 DBED CCO[C@H](CC)C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1113976220 DDIAOATVWHWVDM-CZXHOFHRSA-N 308.382 -0.512 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3ccnc(F)c3)[C@H]2C1 1113979112 DXYWVJNQLUQDFT-JYAVWHMHSA-N 316.336 -0.370 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@@H](C)OCCCC)[C@H]2C1 1113999665 RHGYTOQVCLLIBZ-NYTXWWLZSA-N 321.421 -0.013 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)c3ccc(C#N)[nH]3)[C@@H]2C1 1114143363 NBTILWHEJYPJBI-VXGBXAGGSA-N 313.361 -0.151 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)c3ccc(C(N)=O)[nH]3)[C@H]2C1 1114843392 NGNUVYOLRWFVPA-YABSGUDNSA-N 316.361 -0.577 30 20 DBED COCC#CCN1C[C@@H]2C(NC(=O)Cn3nccc3C)[C@H]2C1 1114893900 ACWJCFZJXAQLKT-KBPBESRZSA-N 302.378 -0.112 30 20 DBED C=CCCCN1C[C@H]2[C@H](NC(=O)Cn3c(O)nnc3O)[C@H]2C1 1115172005 KEIJGGZEJUBNFE-IAZYJMLFSA-N 307.354 -0.298 30 20 DBED C[C@@H](CN(C)C(=O)[C@H]1CN(C)CCO1)Nc1ccc(C#N)nn1 1115664108 IKPPGGJBJUCXMH-WCQYABFASA-N 318.381 -0.062 30 20 DBED CN(CCn1cccn1)C(=O)C(=O)Nc1cnn(CC#N)c1 1116337451 NRYXBSQTYYMUQW-UHFFFAOYSA-N 301.310 -0.300 30 20 DBED N#Cc1ccc(NCCNC(=O)NCC2(CO)COC2)nc1 1116341157 UMEWCZGYBYKZQV-UHFFFAOYSA-N 305.338 -0.327 30 20 DBED C[C@@H](CO)C1CCN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)CC1 1118323155 CXHAZLBDTWKFEG-LRDDRELGSA-N 323.393 -0.270 30 20 DBED COC(=O)NC1CCN(C(=O)C(=O)N2CCO[C@H](C#N)C2)CC1 1118584731 FEJTZZJLTAURHU-LLVKDONJSA-N 324.337 -0.916 30 20 DBED C=CCn1nnnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1119716078 LCIFUVGYZQIBKY-CYBMUJFWSA-N 319.413 -0.008 30 20 DBED N#Cc1c(F)cccc1N[C@@H](CO)CNC(=O)[C@@H]1CCC(=O)N1 1121817478 AMBKVBKJXAVVHB-RNCFNFMXSA-N 320.324 -0.135 30 20 DBED Cc1ncc(C(=O)NC[C@@H](CO)Nc2cnc(C#N)cn2)n1C 1122405171 IYJWKJSJDNJOLU-NSHDSACASA-N 315.337 -0.407 30 20 DBED Cc1ccc(C#N)c(N[C@@H](CO)CNC(=O)c2cnn[nH]2)n1 1122880710 YALAEMSEYSGPHR-SNVBAGLBSA-N 301.310 -0.417 30 20 DBED C[C@H](C#N)C(=O)NCCNCC(=O)Nc1ccccc1C(N)=O 1124896073 LJFRFZOQJSUCRW-SNVBAGLBSA-N 317.349 -0.411 30 20 DBED C#CCCCC(=O)NCCNCCN1C(=O)NC(C)(C)C1=O 1126357070 UIUFOXYUBIXLBD-UHFFFAOYSA-N 308.382 -0.174 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)[C@H]1C[C@@H]1C(F)F 1126566324 NOPJPUYLAAQATB-IUCAKERBSA-N 318.324 -0.395 30 20 DBED C#CCOCCC(=O)NCCNCC(=O)NCc1ccco1 1127032076 RERJAORKHMMJIS-UHFFFAOYSA-N 307.350 -0.359 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@H]1CCCc2n[nH]cc21 1127339303 WBDDXGNXSVIPRV-RYUDHWBXSA-N 317.393 -0.327 30 20 DBED O=C(CN1CCOCC1=O)NCCNCC#Cc1ccccc1 1129551895 ZEOOQPKQWPKYNE-UHFFFAOYSA-N 315.373 -0.397 30 20 DBED C#CCCN[C@@H]1CN(C(=O)c2cc(C)[nH]n2)C[C@@H]1n1ccnn1 1129624199 GNUVAWWVAVBYSC-KGLIPLIRSA-N 313.365 -0.012 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)[C@H]1CO[C@H](C)C1 1130505504 XWTQEOJYSNQJJB-CHWSQXEVSA-N 310.398 -0.121 30 20 DBED C[C@H]1CC[C@@H](NC(=O)[C@@H]2[C@H]3COC[C@H]32)CN1CC(=O)NCC#N 1132227927 JJGMCDPDSSNJEX-GGAZOKNXSA-N 320.393 -0.512 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H](C)c1cncnc1 1132821838 CWQGYJHQEUBTAL-NWDGAFQWSA-N 305.382 -0.023 30 20 DBED Cc1cnn(CC(=O)N[C@H](C)C[C@H](C)NCC(=O)NCC#N)c1 1133843984 LNBYIHSVEFHMHE-QWHCGFSZSA-N 320.397 -0.296 30 20 DBED CC(=O)N1CCCC[C@H]1CC(=O)NCCNCC(=O)NCC#N 1135201796 OWEVYLOTSVWSGZ-ZDUSSCGKSA-N 323.397 -0.877 30 20 DBED CCC[C@@H]1C[C@@H](C(=O)NCCNCC(=O)NCC#N)CCO1 1135850539 QDGKGYMFTZDZTM-QWHCGFSZSA-N 310.398 -0.073 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@@](C)(NC(C)=O)C1CC1 1147459054 NKNIPSFBXVJVNT-ZBEGNZNMSA-N 322.409 -0.865 30 20 DBED C#CCOCCC(=O)N1CC2(CCN(CC(=O)N(C)C)C2)C1 1147531011 VAXCHQGYNGRHPM-UHFFFAOYSA-N 307.394 -0.351 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCCO[C@H](CNC(=O)C(F)F)C1 1149038476 LZNWPMHZLRNHCD-GHMZBOCLSA-N 317.336 -0.404 30 20 DBED CNC(=O)NC(C)(C)C(=O)NC[C@H]1CN(CC#N)CCCO1 1150777515 FWAPJVOFYBOXOR-NSHDSACASA-N 311.386 -0.575 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@@H]1COc2ccccc21 1153508308 WWTBEHGOCUSOKY-CYBMUJFWSA-N 301.346 -0.382 30 20 DBED C[C@@H](C#N)C(=O)NCCCN[C@@H]1CCN(c2cnn(C)c2)C1=O 1155848851 QIHIWRXSJNLUOQ-WCQYABFASA-N 318.381 -0.219 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)c2cnnn2CC)C1=O 1157539418 GHVMSZHXWUJDBN-LBPRGKRZSA-N 320.397 -0.206 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)c1cc(OC)ns1 1158323989 SMJATOPCCQCCSJ-JTQLQIEISA-N 324.406 -0.001 30 20 DBED N#CCNC(=O)CNCCCNC(=O)c1cnc2nccn2c1 1162546764 ZVUHABDBFOZNFG-UHFFFAOYSA-N 315.337 -0.921 30 20 DBED C=CCN(CC=C)C(=O)CNCCCNC(=O)c1nnn(C)n1 1164163727 RTMBVGAVQSRTJI-UHFFFAOYSA-N 321.385 -0.880 30 20 DBED C=CCNCC1(CCNC(=O)CNS(=O)(=O)CC)CC1 1165293330 PABPOBUJYDRFDT-UHFFFAOYSA-N 303.428 -0.012 30 20 DBED C=CCN(CC=C)C(=O)CNCCCNC(=O)C1(C(N)=O)CC1 1165613830 OKGUPNIAHQRPJQ-UHFFFAOYSA-N 322.409 -0.452 30 20 DBED C#CCNC(=O)CNCCCNC(=O)CCNC(=O)C1CCC1 1168190798 XRSQPQCVABJQKT-UHFFFAOYSA-N 322.409 -0.862 30 20 DBED COc1cccnc1C(=O)NCCCNCC(=O)NCC#N 1174580685 RHIVCFUNKRFEAR-UHFFFAOYSA-N 305.338 -0.561 30 20 DBED COCC#CCNCCCC[C@H](C)NC(=O)[C@H]1CNC(=O)N1 1174972906 XQXLCHMNMKAQAC-QWHCGFSZSA-N 310.398 -0.418 30 20 DBED N#CCNC(=O)CN1CCO[C@@H]2CCN(C(=O)C3CC3)C[C@@H]21 1176870669 HEPLIIXCNCRJLA-QWHCGFSZSA-N 306.366 -0.662 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2cnn(C)c2C)[C@H]1C 1178109046 ZTHBAUDPYYZZEF-JSGCOSHPSA-N 317.393 -0.329 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)[C@H](C)S(C)(=O)=O)C1 1183656742 FCLQAUMSEKMCDX-NWDGAFQWSA-N 302.396 -0.740 30 20 DBED C=CCNC[C@H]1CN(C(=O)CNC(=O)NC)CC12CCOCC2 1186402161 HAXDNQJDJMYIOM-ZDUSSCGKSA-N 324.425 -0.054 30 20 DBED C=CCNC(=O)NC(=O)CN1C[C@@H]2CCN(C(=O)CC)[C@@H]2C1 1186613648 XXBFTPGFWFFONN-NWDGAFQWSA-N 308.382 -0.059 30 20 DBED COCc1nocc1C(=O)N1CC[C@@H](NCC(=O)NCC#N)C1 1187034976 RFFXPXCPJFWLIY-SNVBAGLBSA-N 321.337 -0.735 30 20 DBED COC[C@@H](C)C(=O)N1CC[C@H]2CN(CC(=O)NCC#N)C[C@H]21 1187296386 NAOBUXBJKGQCLH-FRRDWIJNSA-N 308.382 -0.559 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@H]1CCN(C(=O)c2cc[nH]n2)C1 1188974474 PJJKCOPMPVABGC-RYUDHWBXSA-N 303.366 -0.306 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@@H](N(C)CC(=O)N(C)C)C1 1190726295 YMBVHBDDIBLTHW-CABCVRRESA-N 320.437 -0.295 30 20 DBED CC#CCN(C)[C@@H]1CCN(C(=O)CCn2ncn(C)c2=O)C1 1191507259 JQWUHYUMKRETDS-CYBMUJFWSA-N 305.382 -0.472 30 20 DBED CC(C)(C)/C=C\C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1O 1191833139 PCYHILOAHOOPBI-XLMCQVRKSA-N 308.382 -0.610 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(Cc2ncnn2CCF)C[C@H]1O 1192503821 OFROVMWDGOCUSN-CHWSQXEVSA-N 323.372 -0.288 30 20 DBED C=CC(C)(C)CC(=O)N[C@@H]1CN(Cc2nc(O)n[nH]2)C[C@H]1O 1193337001 DYFJRCORIKQWRD-NXEZZACHSA-N 309.370 -0.226 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)C/C=C(/C)C=C)C1 1195444662 PPWRLQRACWUCTA-HHBAYHCQSA-N 319.405 -0.192 30 20 DBED Cc1ccnc(C(=O)N2CCCN(CC(=O)NCC#N)CC2)n1 1195659273 DLJKTTJRTXUOIX-UHFFFAOYSA-N 316.365 -0.427 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCCN(C(=O)c2ncn(C)n2)CC1 1195736156 GIDNHOJBAGHEJA-GFCCVEGCSA-N 318.381 -0.899 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)CCc2cnn(C)n2)C1 1196235246 TWXSWOLBWHHHNG-ZIAGYGMSSA-N 323.397 -0.888 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)c2cc(C3CC3)[nH]n2)C1 1196351546 GMSMWLVAMXHTNN-HUUCEWRRSA-N 318.377 -0.288 30 20 DBED C=CCNC(=O)CNC[C@@H]1CN(C(=O)c2ncc[nH]2)CCCO1 1200429013 PAEAOJVSUNNPMN-GFCCVEGCSA-N 321.381 -0.467 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)c2nn(C)cc2C)CC1 1200456073 NFWVMVJRRVWOFQ-UHFFFAOYSA-N 317.393 -0.328 30 20 DBED C=CCNC[C@@H]1CN(C(=O)CS(=O)(=O)CC)CCCO1 1202154697 QQKFWXSQGQEJJL-GFCCVEGCSA-N 304.412 -0.186 30 20 DBED C#CCCN[C@@H]1C[C@H](NC(=O)c2nnc(O)nc2O)C12CCC2 1203131810 MUXDYVKPKWMHGZ-ZJUUUORDSA-N 317.349 -0.063 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)[C@@H]1CCCCO1 1206875592 QXQPIPGXOICFBN-UPJWGTAASA-N 308.382 -0.368 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)[C@H](C)n2cncn2)C1 1207829951 VKXBPHJDMHCCSS-STQMWFEESA-N 320.397 -0.278 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)Cc2n[nH]c(C)n2)C1 1208001814 JHJXAPKRUZSCKE-LBPRGKRZSA-N 320.397 -0.462 30 20 DBED C#CCCN1C[C@@H](NC(=O)COCc2nncn2C)[C@H](C)C1 1209928572 KEBAKCZBDUMATN-CHWSQXEVSA-N 305.382 -0.209 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCCN(C(=O)c2cnon2)C1 1210236947 QVRKUMNPIBOQAG-WDEREUQCSA-N 305.338 -0.598 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)c2c(C)cnn2C)C[C@H]1C 1215342488 WEANUHNOZYGXKI-CHWSQXEVSA-N 317.393 -0.472 30 20 DBED C=CCCCN1C[C@H](O)[C@H](NC(=O)CNC(=O)N2CCCC2)C1 1219611778 JBZJIYZNGLVMAI-KGLIPLIRSA-N 324.425 -0.081 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)CC2(CS(C)(=O)=O)CC2)C1 1219626082 CAKWUVZEOYLFKP-NEPJUHHUSA-N 316.423 -0.451 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)Cc2ccn(CC)n2)C1 1219660877 MEWWLQDINGBHLZ-CABCVRRESA-N 322.409 -0.191 30 20 DBED CC#CCCCC(=O)N[C@@H]1CN(Cc2ncnn2C)C[C@@H]1O 1220185015 ZSRBERDWMZRFLS-OLZOCXBDSA-N 305.382 -0.330 30 20 DBED C=CCOCC(=O)N(C)C[C@@H]1CCN1CCN1C(=O)CCC1=O 1231246626 HKLWRWZHAALKJN-ZDUSSCGKSA-N 323.393 -0.129 30 20 DBED CN(C[C@@H]1CCN1CC(=O)NCC#N)C(=O)CC1(O)CCC1 1234139519 HWUMNHAXZKPHDU-LBPRGKRZSA-N 308.382 -0.536 30 20 DBED Cc1cc(C[C@@H](C)NC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)n[nH]1 1261468727 LIHIKEKPBLKACU-BMIGLBTASA-N 319.365 -0.358 30 20 DBED CNC(=O)c1cccc(CNC(=O)NCC(=O)NCC#N)c1 1323413001 CBAQNLXNZIEPGH-UHFFFAOYSA-N 303.322 -0.515 30 20 DBED C#CCOCCNC(=O)C(=O)NC[C@@H](C)CC1(C)OCCO1 1324879166 YPAVCDDPQSRYKD-LBPRGKRZSA-N 312.366 -0.342 30 20 DBED C[C@@H]1CCCN(C[C@@H](C)NC(=O)C(=O)N2CCO[C@@H](C#N)C2)C1 1327822221 NBQPDNCLTGRTNY-MCIONIFRSA-N 322.409 -0.026 30 20 DBED CC(C)N1CC[C@H](NC(=O)C(=O)N2CCC[C@@H](C#N)C2)C1=O 1334640163 JMDXLWKGTSAVRD-RYUDHWBXSA-N 306.366 -0.126 30 20 DBED CCOC(=O)[C@@H]1CCN(C(=O)C(=O)N2CC[C@@](F)(C#N)C2)C1 1338064596 JKUXAXLEERAJJL-QMTHXVAHSA-N 311.313 -0.138 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)N2CCN(CC3CC3)CC2)CCO1 1344686719 PHADNXHKXUFAFI-ZDUSSCGKSA-N 306.366 -0.708 30 20 DBED C=CCCOCCNC(=O)C(=O)N1CCN(C(=O)OC)CC1 1346902976 BZAVPRWRVLMWQM-UHFFFAOYSA-N 313.354 -0.394 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N(C)C[C@H]2CCC[C@H]2O)nn1 1349044729 DGFKXHZSUJTXSM-DGCLKSJQSA-N 321.381 -0.300 30 20 DBED C=CCn1c([C@@H]2CNC(=O)C2)nnc1N1CCO[C@H](COC)C1 1355379849 PVDIXULXVKWFMA-RYUDHWBXSA-N 321.381 -0.081 30 20 DBED C=CCn1cc(Cn2nnnc2N2C[C@@H](O)C[C@@H](C)C2)nn1 1355962342 PFQJALOVSLKKQF-PWSUYJOCSA-N 304.358 -0.294 30 20 DBED C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)NCc1ccnc(C#N)c1 1362766140 LYLPOBCOBSHNLT-NOZJJQNGSA-N 302.334 -0.155 30 20 DBED C[C@H](C(=O)N[C@H](CO)Cc1cnn(C)c1)n1cnc(C#N)n1 1363100751 MTUPGUCITZDQOJ-KOLCDFICSA-N 303.326 -0.836 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@@H]1CCN(C(=O)c2cnn(C)c2N)C1 1372076284 KTKPKZZSRZCPSU-NXEZZACHSA-N 304.354 -0.165 30 20 DBED C[C@@H](C(=O)N(C)C)N1CC(O)(CNC(=O)c2cc(C#N)c[nH]2)C1 1402320742 ROQUYXHBBFYXMI-JTQLQIEISA-N 319.365 -0.860 30 20 DBED COCCN(CCNC(=O)[C@H](C)C#N)C(=O)c1nccnc1N 1405773512 RGQLUAVBSFHWMM-SNVBAGLBSA-N 320.353 -0.577 30 20 DBED CC(=O)N(C)CC(=O)NC[C@@H]1CN(C(=O)[C@H](C)C#N)CCCO1 1406037439 WIPQKTQOGXUALM-DGCLKSJQSA-N 324.381 -0.642 30 20 DBED CCN(CCNC(=O)c1cccc(C(N)=O)n1)C(=O)[C@@H](C)C#N 1408757638 MNQIEZBNFMMQRQ-JTQLQIEISA-N 317.349 -0.082 30 20 DBED C[C@H](C[S@@](C)=O)N(C)C(=O)Cn1cc(C#N)c(O)nc1=O 1412748457 JMDICGZFXSWNPU-IJSAXESFSA-N 312.351 -0.954 30 20 DBED N#Cc1cc(CNC(=O)C2=NN(CCO)C(=O)CC2)ccn1 1412915112 IXLGRCSGGXFJQF-UHFFFAOYSA-N 301.306 -0.460 30 20 DBED COCCN(CCC#N)S(=O)(=O)NCC1(C(=O)OC)CC1 1413429269 GUDFJTWXCIWEQW-UHFFFAOYSA-N 319.383 -0.364 30 20 DBED N#Cc1ccc(CNC[C@@H](O)CNC(=O)[C@H]2CCC(=O)N2)cc1 1420101113 INHUZSLYJMJERA-ZIAGYGMSSA-N 316.361 -0.596 30 20 DBED COCCN(CCNC(=O)[C@H]1CCC(=O)N1)C(=O)[C@@H](C)C#N 1428405669 OKKQLVQJJYIGBF-WDEREUQCSA-N 310.354 -0.984 30 20 DBED CC(C)OCCC(=O)NC[C@@H](O)CNC(=O)c1c[nH]c(C#N)c1 1433344864 ZFVLTIUTVUNRHG-CYBMUJFWSA-N 322.365 -0.092 30 20 DBED C=C(Cl)CN1CC(O)(CNC(=O)C[C@H]2COC(=O)C2)C1 1440045210 HWIMLBYQJIEROP-SNVBAGLBSA-N 302.758 -0.145 30 20 DBED CC(C)CNC(=O)NC(=O)CN1CC(CNC(=O)[C@@H](C)C#N)C1 1443567828 CPFCIPMRAHFXIR-NSHDSACASA-N 323.397 -0.324 30 20 DBED CN(CCNC(=O)CNC(=O)C1CC1)C(=O)c1ccc(C#N)[nH]1 1448732079 INNXFHSTCGVKOU-UHFFFAOYSA-N 317.349 -0.399 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@](C)(CNC(=O)Cn2cnnn2)C1 1454022479 PZWNDVJDBLCEGD-SMDDNHRTSA-N 319.369 -0.422 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CCN(C(=O)CCn2cncn2)C1 1454811906 LCPLICQTBBOHPO-VXGBXAGGSA-N 304.354 -0.207 30 20 DBED CN(CCN(C)C(=O)[C@H]1COCCO1)C(=O)c1cc(C#N)c[nH]1 1457727708 JVNGVYCBVGVGLG-CYBMUJFWSA-N 320.349 -0.168 30 20 DBED COc1cccc(C(=O)N(C)C[C@@H](O)CNC(=O)[C@H](C)C#N)n1 1488401857 OBHZXMFLRTWWLS-MNOVXSKESA-N 320.349 -0.201 30 20 DBED C[C@H](C#N)C(=O)NC1CCN(C(=O)[C@@H]2CCNC(=O)C2)CC1 1492080619 WNQIHGMUSOLVAS-GHMZBOCLSA-N 306.366 -0.221 30 20 DBED C#CC[C@@]1(C(=O)N2CC3(CC(=O)Nc4nccn43)C2)CCCN1 1574504844 OGAGSWICOJOQCP-INIZCTEOSA-N 313.361 -0.092 30 20 DBED C[C@H]1CN(C(=O)Cn2cnc(C#N)n2)CC2(CCNCC2)O1 1576770455 LYKYDDSIOKGGJJ-NSHDSACASA-N 304.354 -0.481 30 20 DBED CCN(CCC#N)S(=O)(=O)N(C)C1(CN)CCOCC1 1577710908 IDOMZYCYUJJEAF-UHFFFAOYSA-N 304.416 -0.094 30 20 DBED C#CC[C@@H](CCOC)NS(=O)(=O)c1cnn(CC(=O)O)c1 1588394250 NJQISCCYFQBUAG-JTQLQIEISA-N 315.351 -0.326 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC(N2C[C@H](C(=O)O)CC2=O)CC1 1588430476 MDBQHDSCOYMEPV-VXGBXAGGSA-N 321.377 -0.478 30 20 DBED N#CCCNC(=O)COC(=O)c1cccc(-c2nn[nH]n2)n1 1592678135 NXQCFMQORCKODG-UHFFFAOYSA-N 301.266 -0.552 30 20 DBED COc1ccc(C#N)cc1NC(=O)C(=O)NC[C@](C)(O)C(=O)O 1594074974 HRVHTNOMACUXJV-AWEZNQCLSA-N 321.289 -0.543 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3C(=O)O)C2)[nH]1 1601093654 WTMOFXUGQILSJX-LMLFDSFASA-N 316.317 -0.016 30 20 DBED CN(CCC#N)C[C@@H](O)CNCc1nc(-c2nn[nH]n2)cs1 1604736777 YXHJPQRUVCVFJA-VIFPVBQESA-N 322.398 -0.381 30 20 DBED Cn1ncc(C(=O)O)c1NC(=O)C(=O)N1CC[C@](F)(C#N)C1 1610614716 RFCIQOZNARAMSZ-LBPRGKRZSA-N 309.257 -0.479 30 20 DBED C#CCCN1CCCC[C@H]1CNC(=O)C[C@@H]1NC(=O)NC1=O 1752820933 IDPDDUFJTLKGCU-RYUDHWBXSA-N 306.366 -0.422 30 20 DBED C#CCNCCNC(=O)[C@H]1CCCN(C(=O)CCCN(C)C)C1 1752926284 NMDGFUZODFCRQA-HNNXBMFYSA-N 322.453 -0.094 30 20 DBED COCC#CCN1CC(NC(=O)[C@]2(CC(C)C)CCNC2=O)C1 1753380362 RIGUAZFOTBKNNQ-KRWDZBQOSA-N 321.421 -0.011 30 20 DBED C#CCNC(=O)CN1CC(NC(=O)C[C@H](C)c2cnn(C)c2)C1 1753382222 LXFDTKUXDZUZPZ-LBPRGKRZSA-N 317.393 -0.537 30 20 DBED C=CCNC(=O)[C@H](C)N[C@H](CC)CNC(=O)c1cnn(C)c1N 1753473107 PWDCALBLELPQAW-WDEREUQCSA-N 322.413 -0.209 30 20 DBED C=C1CC(C)(C(=O)NC[C@H](O)CNCCN2C(=O)CCC2=O)C1 1753928198 XUTGFDXPYZFKRK-GFCCVEGCSA-N 323.393 -0.442 30 20 DBED CN(CCCNCC#N)C(=O)CN1CCCCS1(=O)=O 1754384517 COIGSLHHTHARAJ-UHFFFAOYSA-N 302.400 -0.626 30 20 DBED Cc1ccoc1CC(=O)N[C@H]1[C@H]2C[C@H]1N(CC(=O)NCC#N)C2 1754428114 HLCMGUKHILSJDA-OZVIIMIRSA-N 316.361 -0.041 30 20 DBED Cc1ocnc1C(=O)N1CCC[C@H]1CNCC(=O)NCC#N 1754607970 KOFDZNFXQDVJBW-NSHDSACASA-N 305.338 -0.183 30 20 DBED N#CCNC(=O)CNC[C@@H]1CCCN1C(=O)c1nccs1 1754618573 MABTXZKTBIGQFX-JTQLQIEISA-N 307.379 -0.023 30 20 DBED CC#CCCCC(=O)NCC1(O)CN(Cc2n[nH]c(C)n2)C1 1754772575 LSNIAZUCXRATCL-UHFFFAOYSA-N 305.382 -0.030 30 20 DBED C#CCNC(=O)CNCC[C@H]1CCN(C(=O)[C@H](OC)C2CC2)C1 1754912377 FAMACYSYNDLJOK-XJKSGUPXSA-N 321.421 -0.011 30 20 DBED N#CCNC(=O)CN1CCC[C@@H](NC(=O)C2=COCCO2)CC1 1755027176 FOGFVROMUFHMSX-GFCCVEGCSA-N 322.365 -0.515 30 20 DBED CCN(CCC#N)C(=O)CN[C@@H]1CN(C(=O)CC(N)=O)C[C@@H]1C 1755107579 QCBWRCGZSHZUKX-NWDGAFQWSA-N 323.397 -0.940 30 20 DBED CN1CC[C@H](C(=O)N2CCC[C@H]2CN(C)CC(=O)NCC#N)C1 1755200198 ICBYCKCMQQXYTG-KBPBESRZSA-N 321.425 -0.499 30 20 DBED COCC#CCNCC(C)(C)CN(C)C(=O)[C@H](C)NC(N)=O 1755279851 CBUOWEBEELIJQV-LBPRGKRZSA-N 312.414 -0.233 30 20 DBED N#CCNC(=O)CNC[C@H]1C[C@H](NC(=O)[C@@H]2CCCCO2)C1 1755469079 BLHNFXFSDFCKFV-AVGNSLFASA-N 308.382 -0.320 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H](C)CN(C)C(=O)c1[nH]cnc1C 1755619977 KWBVYGIYULFLGY-CMPLNLGQSA-N 305.382 -0.094 30 20 DBED C#CCNC(=O)CC(=O)NCC1CC(NC(=O)[C@H]2CCCO2)C1 1755928668 UITBCYBLWXCTIX-WXRRBKDZSA-N 321.377 -0.684 30 20 DBED C=C1CC(C)(C(=O)NC[C@H](CO)NC(=O)[C@@H](COC)OC)C1 1756547565 CGQNKSJSAIPGDP-VXGBXAGGSA-N 314.382 -0.403 30 20 DBED C#CCCCC(=O)NC[C@@H]1CC[C@@H](NC(=O)Cn2ncnn2)C1 1756642324 SIBLIKGOXXDHAS-CHWSQXEVSA-N 318.381 -0.122 30 20 DBED C=CCOCC(=O)N(CC)[C@H](C)CNC(=O)[C@@H]1CNC(=O)N1 1756860279 GKOWERBIEODKPO-MNOVXSKESA-N 312.370 -0.776 30 20 DBED CC[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CC1)C2 1792862297 RFUGRXJGOTXDRT-RNJOBUHISA-N 321.377 -0.349 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(COC)CC1 1793339690 FINSUWFZWVBDCV-DABQJJPHSA-N 306.362 -0.364 30 20 DBED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@@H]1F)CCO2 1832128531 MECHYWLMIHWNNG-TYNCELHUSA-N 310.325 -0.566 30 20 DBED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1CC(=O)C1)CCO2 1840833951 KRMICOYCQDGJIG-MRXNPFEDSA-N 320.345 -0.945 30 20 DBED COc1ccccc1C(=O)NCC(=O)OCC(=O)NCCC#N 7238207 POASUGCYSDOXLW-UHFFFAOYSA-N 319.317 -0.002 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC(C(=O)N2CCOCC2)CC1 42355821 OXYUPZPLHFEBEV-CYBMUJFWSA-N 307.394 -0.305 30 20 DBED C=C(C)CN(CC)C(=O)[C@H](C)N1CCN(S(N)(=O)=O)CC1 42634647 IBICDTSNCHXCCG-LBPRGKRZSA-N 318.443 -0.379 30 20 DBED C=C(C)CN(CC)C(=O)CN1CCN(S(C)(=O)=O)CC1 52797664 SHFBIZBYTZYMKF-UHFFFAOYSA-N 303.428 -0.012 30 20 DBED CC[C@H](C)[C@@H](NS(C)(=O)=O)C(=O)N1CCN(CC#N)CC1 81422349 OIXUZWCYGVUFLN-NWDGAFQWSA-N 316.427 -0.382 30 20 DBED C=C(C)CN1CCC(NC(=O)NCCNS(C)(=O)=O)CC1 106258435 YITUGYHYWYNQHB-UHFFFAOYSA-N 318.443 -0.125 30 20 DBED C=CC[C@@H](C)NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 116860401 GPJOLRGDJWOEQL-SECBINFHSA-N 305.338 -0.486 30 20 DBED C#CCNC(=O)[C@H](C)Sc1nnc(-c2cc(C)n[nH]2)n1N 125762480 RIGYFBWNUDNCJA-QMMMGPOBSA-N 305.367 -0.080 30 20 DBED COC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1cccc(C#N)c1 157084572 XDOHKYIODUBOEC-JQWIXIFHSA-N 310.331 -0.145 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)NCC(=O)NCC2CC2)cc1 179829908 SMRUASVFAPMOSU-UHFFFAOYSA-N 314.345 -0.070 30 20 DBED COCCNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1C 226155287 GVJANRHOWRILJI-UHFFFAOYSA-N 311.363 -0.092 30 20 DBED C/N=C(/NCC(=O)N(C)C)N1CCO[C@H](c2cnn(C)c2)C1 261714936 HQGPVNWZTDXLTF-LBPRGKRZSA-N 308.386 -0.543 30 20 DBED C=CCNC(=O)CN1CCC[C@@H](CNC(=O)[C@H]2CCCN2)C1 262303891 OWNWLUNZCNINIV-UONOGXRCSA-N 308.426 -0.131 30 20 DBED CNC(=O)[C@@H]1CN(C(=O)COc2ccccc2C#N)CCO1 273130538 RMLTWRZNZPBHMK-ZDUSSCGKSA-N 303.318 -0.090 30 20 DBED C#CCOc1ccccc1NC(=O)C(=O)N[C@H]1CC(=O)N(C)C1 274910163 GTMDBTYNKYHIMO-NSHDSACASA-N 315.329 -0.016 30 20 DBED COC(=O)C[C@H](NS(=O)(=O)N(C)C[C@H](C)C#N)C(=O)OC 282922212 SSKSXSZEWXQNRG-BDAKNGLRSA-N 321.355 -0.983 30 20 DBED C=CCN(C)C(=O)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O 286959324 JOVQRRCIZVWJQT-MRVPVSSYSA-N 307.272 -0.090 30 20 DBED CN1CCN(C)[C@H](C/N=C(/O)N2CCN(C3CC3)C(=O)C2)C1 328648230 AGADKRXMNGUOQJ-CYBMUJFWSA-N 309.414 -0.547 30 20 DBED C[C@@H]1COCCN1CC/N=C(/O)c1coc(S(N)(=O)=O)c1 330553134 YDELFKOUFKATJD-SECBINFHSA-N 317.367 -0.048 30 20 DBED CC(C)(NS(C)(=O)=O)C(=O)NCC1CCN(CC#N)CC1 330929712 NUQZAHPCDVXECY-UHFFFAOYSA-N 316.427 -0.334 30 20 DBED CC(C)[C@@H](CNC(=O)Cn1cnc(C#N)n1)N1CCOCC1 331120312 AUWQUFPAFAEDTD-GFCCVEGCSA-N 306.370 -0.377 30 20 DBED C[C@H]1CCS(=O)(=O)CCN1S(=O)(=O)N(C)[C@H](C)CC#N 332059860 YJGMDABRAPMVLO-MNOVXSKESA-N 323.440 -0.026 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1CCC[C@@H](S(N)(=O)=O)C1 347528735 FQIILQNIWVZZHD-VHSXEESVSA-N 318.399 -0.860 30 20 DBED CCOCCO[C@@H]1CCN(C(=O)NCCn2cnc(C#N)n2)C1 347632932 LUIBQWBTVWEVPT-GFCCVEGCSA-N 322.369 -0.013 30 20 DBED C=CCNC(=O)CN1CCN(c2nc3[nH][nH]cc-3c(=N)n2)CC1 354508157 MNXZJFUWZOXYPP-UHFFFAOYSA-N 316.369 -0.859 30 20 DBED Cc1cccc(C[C@H](CO)NC(=O)NCC(=O)NCC#N)c1 358313924 OBQYRTHRHLEMEK-CYBMUJFWSA-N 304.350 -0.163 30 20 DBED C=C[C@H](CO)NC(=O)N[C@@H]1CCCN(c2ccnn2C)C1=O 359144489 OCXFUKSIRPOQOK-GHMZBOCLSA-N 307.354 -0.238 30 20 DBED N#Cc1ncn(CCNC(=O)N[C@H]2CC(=O)N3CCCC[C@H]23)n1 376414648 PKRAHZYZSBDLEW-WDEREUQCSA-N 317.353 -0.398 30 20 DBED CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)[C@H](N)CCCC#N 424139914 RUJJEWDHIOVHMZ-QJPTWQEYSA-N 316.427 -0.158 30 20 DBED CC(C)N1CCC(O)(CNS(=O)(=O)N(C)CCC#N)CC1 443487812 RHWIZCZPHQUCPD-UHFFFAOYSA-N 318.443 -0.098 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC(n3ccnc3)C2)C1=O 523680613 XOLFKLSOVLLCFD-UHFFFAOYSA-N 317.305 -0.757 30 20 DBED Cc1c([C@H](NS(=O)(=O)N(C)CCC#N)C(=O)O)cnn1C 530435284 NHXWYZGDFFPNNL-JTQLQIEISA-N 315.355 -0.466 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CSC[C@@H]2C)C1=O 561210645 NRNPAPVRYHVRRG-IUCAKERBSA-N 311.363 -0.169 30 20 DBED COC(=O)[C@@H]1C[C@@H](O)CN(CC(=O)N[C@@](C)(C#N)C(C)C)C1 592209071 QWEPGZYFJUSMDD-JMSVASOKSA-N 311.382 -0.103 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)NCCN(C)CCCN(C)C 594821247 LMAFDOGRRRJYMB-CYBMUJFWSA-N 319.475 -0.204 30 20 DBED Cn1nc(C(=O)N(CCC#N)CCN2CCOCC2)cc1O 597020126 FPTLZRQDBDWNJR-UHFFFAOYSA-N 307.354 -0.186 30 20 DBED N#Cc1cccnc1N1CCN(C(=O)C2CS(=O)(=O)C2)CC1 600978052 RDZFHYPHXLUAHJ-UHFFFAOYSA-N 320.374 -0.354 30 20 DBED C[C@H](CNS(=O)(=O)c1ccc(C#N)nc1)S(C)(=O)=O 611083950 UJCCYFWEFPEAMT-MRVPVSSYSA-N 303.365 -0.335 30 20 DBED N#CCc1cccc(S(=O)(=O)NCCC(=O)NC(N)=O)c1 619490572 PILUBHHZDYISSQ-UHFFFAOYSA-N 310.335 -0.384 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)NCCCn1cncn1 619707384 IFJCLOUWWAWXHP-NSHDSACASA-N 300.388 -0.016 30 20 DBED C=C[C@H](CO)NC(=O)Nc1ccnn1[C@H]1CCS(=O)(=O)C1 666790232 RNWUUBVMHWNRIW-ZJUUUORDSA-N 314.367 -0.089 30 20 DBED C#CC[C@H](CO)NS(=O)(=O)N1CCC[C@H]1C(=O)OCC 717812619 ALAMCCCSVBLSJC-MNOVXSKESA-N 304.368 -0.768 30 20 DBED C=CCOCC(=O)OCC(=O)N1CCN(c2cnccn2)CC1 729766179 KOMBFNHWZCGHMO-UHFFFAOYSA-N 320.349 -0.129 30 20 DBED NC(=O)CNC(=S)NN=C1CCN(Cc2ccccc2)C1=O 743441401 IEUSEMHNEUKCQP-UHFFFAOYSA-N 319.390 -0.276 30 20 DBED C#C[C@H](NC(=O)C(=O)Nc1ccn(CCOC)n1)[C@@H]1CCCO1 773791844 DDKLRUHHLVKVHA-RYUDHWBXSA-N 320.349 -0.235 30 20 DBED N#Cc1cnn2c(O)cc(COC(=O)[C@@H]3CCC(=O)NC3)nc12 783026356 DSMMWMSITWFWRV-MRVPVSSYSA-N 315.289 -0.124 30 20 DBED C#CCOCCNC(=O)N1CCN(c2cnn(C)c2)C(=O)C1 784538829 HCDSBTWQVSNYSA-UHFFFAOYSA-N 305.338 -0.572 30 20 DBED C[C@H]1OC(=O)N[C@H]1C(=O)OCC(=O)N(CCC#N)CCC#N 786075688 ZQLPKGSSGNLVKY-MWLCHTKSSA-N 308.294 -0.318 30 20 DBED C[C@@H](C(=O)O[C@H](C)C(=O)NC1(C#N)CCC1)S(C)(=O)=O 787650945 JRSKWYYKZWDPSW-BDAKNGLRSA-N 302.352 -0.086 30 20 DBED COCCOCCS(=O)(=O)NC(=O)c1ccc(C#N)o1 796984792 UDINZHSCRVKFPP-UHFFFAOYSA-N 302.308 -0.126 30 20 DBED C#CCNC(=O)CN1CCN(S(=O)(=O)CCCC=C)CC1 813662628 KMJUZRDTOAPKHU-UHFFFAOYSA-N 313.423 -0.351 30 20 DBED C=CCNC(=O)CNC(=O)C(=O)Nc1ccccc1CC(=O)O 819720197 LZOOOABRUSFIEU-UHFFFAOYSA-N 319.317 -0.329 30 20 DBED CC[C@@H](N)CNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 834827879 XPFFGQDBIBYWKW-SECBINFHSA-N 310.379 -0.421 30 20 DBED C=CCOCCNC(=O)[C@H](CO)NC(=O)c1cccc(F)n1 845929205 JLEYUSOQRYECQG-NSHDSACASA-N 311.313 -0.370 30 20 DBED C#CCC[C@@H](O)CNC(=O)CC1CCN(S(C)(=O)=O)CC1 848034808 CBGXNXZSJSTBKV-CYBMUJFWSA-N 316.423 -0.061 30 20 DBED COCCNC(=O)[C@H](C#N)C(=O)C1CCN(C(=O)OC)CC1 850757216 HRTQJWWBWSJMCV-LLVKDONJSA-N 311.338 -0.064 30 20 DBED C=C(CNC(=O)c1nonc1C)CNC(=O)c1nonc1C 856339133 PVGVQCMCQYHHKV-UHFFFAOYSA-N 306.282 -0.215 30 20 DBED C#CC1(O)CN(C(=O)[C@H](C)N2C(=O)[C@H]3CCCC[C@@H]3C2=O)C1 890520413 ZQHSWSWWMGCIHL-SRVKXCTJSA-N 304.346 -0.243 30 20 DBED C#C[C@H](NC(=O)C(=O)N1C[C@H]2CC[C@H]1[C@@H](O)C2)[C@H]1CCCO1 898002956 BCKFQBFYSRDNLP-HTVCTNPSSA-N 306.362 -0.345 30 20 DBED C#CCNC(=O)[C@@H](C)Nc1ccn(CCN2CCNC2=O)n1 905857877 IVNWFZVMRQIARJ-LLVKDONJSA-N 304.354 -0.542 30 20 DBED CN(C)CC#CCNC(=O)COCC(=O)NCc1cccnc1 913518051 BPIRTMOEELGOCY-UHFFFAOYSA-N 318.377 -0.604 30 20 DBED C#CCNC(=O)COC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 914818625 QLILRQBZDFXKKU-QMMMGPOBSA-N 306.240 -0.310 30 20 DBED CC(C)NC(=O)[C@@H](C#N)C(=O)CCN1CCCS1(=O)=O 918486071 CAPNZBZQWDRVHW-JTQLQIEISA-N 301.368 -0.355 30 20 DBED C=CCOC[C@@H]1NC(=O)N(C2CCN(CC(=O)NC)CC2)C1=O 924890835 LIRCSEWCFQCXCL-LBPRGKRZSA-N 324.381 -0.680 30 20 DBED Cc1nn(C)cc1C1=NO[C@H](C(=O)N2CCO[C@H](C#N)C2)C1 932147593 IXPPQFWXOAHVHD-MFKMUULPSA-N 303.322 -0.028 30 20 DBED Cn1c(=O)c2c(ncn2CCN2CCC[C@H](C#N)C2)n(C)c1=O 932155383 CPJYKQZZTMFMKY-LLVKDONJSA-N 316.365 -0.331 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCCN1C(=O)CC(N)=O 937300422 BKQNAJZXQDBVMB-XQQFMLRXSA-N 323.393 -0.050 30 20 DBED N#Cc1cc(C(=O)N2C[C@H]3C[C@H]2[C@H]3NC(=O)c2cnn[nH]2)c[nH]1 947489034 DVLCULFNUUEPEL-ZHAHWJHGSA-N 311.305 -0.353 30 20 DBED CC#CCN1CC[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)C[C@H]1C 947983578 CAGNKAYENDSVTQ-TZMCWYRMSA-N 319.409 -0.117 30 20 DBED C#CCN1CCC(C(=O)N[C@H]2CCN(CC(N)=O)[C@H](C)C2)CC1 948069298 FNJGKBLDIKGLDP-HIFRSBDPSA-N 320.437 -0.214 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCN([C@@H]2CCN(C)C2=O)CC1 948825602 IGKUNAQAPCUWCF-LSDHHAIUSA-N 318.421 -0.541 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cc3n(n2)CCCC3)C1 958161387 JFCBHOJRROYHSA-SWLSCSKDSA-N 302.378 -0.125 30 20 DBED CN(C)c1ccc(C(=O)NC[C@@H]2CN(CC#N)C[C@H]2O)nn1 958598652 LJMYUKCATRZORL-ZYHUDNBSSA-N 304.354 -0.911 30 20 DBED C[C@H]1CN(C(=O)CC(N)=O)C[C@H]1CNC(=O)c1c[nH]c(C#N)c1 959408462 DOJTYPJROSCIBW-GXSJLCMTSA-N 317.349 -0.414 30 20 DBED CC#CCN1C[C@H]2C(NC(=O)[C@@H]3CCc4nnc(O)n4C3)[C@@H]2C1 960656299 PLFDTJKMHJSTJZ-IJLUTSLNSA-N 315.377 -0.384 30 20 DBED C=C(Cl)CN1C[C@H]2C(NC(=O)c3nnc(O)nc3O)[C@@H]2C1 960838268 ODSQAUYFWNHLCB-RNFRBKRXSA-N 311.729 -0.305 30 20 DBED C#CCN1C[C@H]2[C@H](NC(=O)Cn3c(C)cc(C)nc3=O)[C@H]2C1 962155943 LVQYPTNBNKBHHW-NHAGDIPZSA-N 300.362 -0.460 30 20 DBED N#Cc1c[nH]c(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@@H]3CC3(F)F)C2)c1 962751990 WBYYQOHOLSABGH-GDPRMGEGSA-N 324.287 -0.157 30 20 DBED Cc1c[nH]c(C(=O)NC[C@@H]2COCCN2C(=O)[C@@H](C)C#N)n1 964198605 MPNOHKQVSWYFHY-GXSJLCMTSA-N 305.338 -0.165 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(C[C@H](NC(=O)Cc3cnc[nH]3)CO2)C1 965835611 HPRAFHUADKFRNX-JQWIXIFHSA-N 317.349 -0.402 30 20 DBED Cn1cc(CC(=O)N2CC[C@]3(CN(CC#N)CCO3)C2)cn1 972291826 YMTPXEZFZGNGOZ-HNNXBMFYSA-N 303.366 -0.211 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](N(C)Cc2nnn(C)n2)C1 972372755 HJXFGRHJYGXQNE-XQQFMLRXSA-N 320.397 -0.166 30 20 DBED CC(=O)N1CC(C(=O)NC[C@@H]2CCCN(C(=O)[C@@H](C)C#N)C2)C1 975230134 RBPOZPRTZRXHLB-AAEUAGOBSA-N 320.393 -0.021 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)C[C@@H]3CCN(C)C3=O)[C@H]2C1 976683607 KSDVSEFKRFUIKF-ZXPJVPCYSA-N 318.377 -0.413 30 20 DBED CC#CCN1C[C@H]2[C@H](CNC(=O)c3cc(=O)n(C)cn3)[C@H]2C1 978296136 YTJCJMOTCKNGFN-XYYAHUGASA-N 300.362 -0.289 30 20 DBED C=CCN1C[C@H]2[C@H](CNC(=O)[C@H]3CCN(C)S3(=O)=O)[C@H]2C1 978852495 GYCHIZPOZHGDMA-FVCCEPFGSA-N 313.423 -0.500 30 20 DBED C=C(Cl)CN[C@@H]1CCN(C(=O)Cn2ncn(C)c2=O)[C@@H]1C 986448939 UFUAXMNNRQUSAY-GHMZBOCLSA-N 313.789 -0.087 30 20 DBED N#Cc1cc(C(=O)N2CC(NC(=O)C3=COCCO3)C2)c[nH]1 990125210 NYDRIMZAKBFNLS-UHFFFAOYSA-N 302.290 -0.285 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC(NC(=O)c2cc[nH]n2)C1 990290099 RDGITDPYHGVMCW-ZDUSSCGKSA-N 301.350 -0.552 30 20 DBED Cn1cc(CC(=O)NC2CN(C(=O)c3cc(C#N)c[nH]3)C2)cn1 990438479 SMSGRGDZYIAPEI-UHFFFAOYSA-N 312.333 -0.197 30 20 DBED N#Cc1cc(C(=O)NC2CN(C(=O)[C@@]34COC[C@@H]3C4)C2)c[nH]1 990933391 XOEILBVGEYLGQK-BONVTDFDSA-N 300.318 -0.137 30 20 DBED C#CCCN1CC[C@]2(NC(=O)C[C@@H]3NC(=O)NC3=O)CCC[C@H]12 991100111 MMJXASPSQYNUGQ-MQIPJXDCSA-N 318.377 -0.279 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCN(C(=O)C3CC3)C[C@@H]2O)nn1 991481321 BEOBTHKSWFGROM-AAEUAGOBSA-N 319.365 -0.434 30 20 DBED C=C1CCC(C(=O)N2CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C2)CC1 991722122 ADXWQUZWKNMVOV-NEPJUHHUSA-N 309.366 -0.704 30 20 DBED COc1cc(C(=O)NC2CN(C(=O)C#CC3CC3)C2)ncn1 991890931 UVOPVZTYXUNLCE-UHFFFAOYSA-N 300.318 -0.161 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)c3cnn[nH]3)C[C@]2(C)C1 993104698 FUSCZBXQVJKVPL-RBZYPMLTSA-N 302.338 -0.115 30 20 DBED C[C@H]1[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)CCCN1CC#N 993411454 ICAIYZLEWKTZTO-RYUDHWBXSA-N 319.365 -0.960 30 20 DBED C#CCN1CCC[C@@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)[C@@H]1C 994324347 AASYCWRRNKYICD-NWDGAFQWSA-N 320.393 -0.081 30 20 DBED CC#CCN1CCC[C@@H](NC(=O)CN2C(=O)CNC2=O)[C@H]1C 994360337 DOHGNIHQEWHROR-VXGBXAGGSA-N 306.366 -0.469 30 20 DBED C#Cc1ccc(C(=O)N2CC(NC(=O)Cc3nc[nH]n3)C2)cn1 1000187909 MFCLDFDCTXKGDR-UHFFFAOYSA-N 310.317 -0.636 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCC1=CCN(CC(=O)NC)CC1 1000789772 DFMMNJASBMUYCX-HNNXBMFYSA-N 318.421 -0.422 30 20 DBED N#Cc1cc(C(=O)NCC2CN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C2)c[nH]1 1001502594 IGORTAJFVLAQCP-WDNDVIMCSA-N 314.345 -0.033 30 20 DBED CN(C(=O)[C@H]1CCS(=O)(=O)N1)C1CCN(CC#N)CC1 1006425028 GYMRAEKDMIYHNM-LLVKDONJSA-N 300.384 -0.876 30 20 DBED C=C(Br)CN1CC[C@@H](NC(=O)c2nnn(C)n2)C1 1015551770 WCLLSTAYLZLNFF-MRVPVSSYSA-N 315.175 -0.077 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CCN(C(=O)Cn3nccn3)[C@@H]2C1 1021766224 CGTZFDFNCMVLEI-SDDRHHMPSA-N 302.338 -0.503 30 20 DBED Cc1nn[nH]c1C(=O)N1CC[C@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]21 1022334987 DMXVDKLYEJFMQX-INTQDDNPSA-N 302.338 -0.054 30 20 DBED C=CCN1CC[C@H](N[C@H]2C[C@@H](NC(=O)c3nc[nH]n3)C2)C1=O 1022866862 MVFHGQXHFPNJFW-AXFHLTTASA-N 304.354 -0.558 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cocn2)C1 1023201415 UKVTXEBONSZBJD-WFFHOREQSA-N 321.333 -0.433 30 20 DBED CN1CC[C@@H](CC(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2O)C1 1024773655 CFCUBUGVKONTLQ-RRFJBIMHSA-N 319.405 -0.571 30 20 DBED C#CCN[C@@H]1CC[C@H]2CN(C(=O)CN3CCOCC3=O)C[C@H]21 1026284520 BXUQBLDWIJTYLF-BFHYXJOUSA-N 305.378 -0.695 30 20 DBED C#CCN1CC[C@@H](CNC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 1028724826 OXYZQDBTCVMHMK-NSHDSACASA-N 314.353 -0.621 30 20 DBED C#CCOc1ncccc1C(=O)NC1CN([C@H](CC)C(N)=O)C1 1031276067 JDNHGDBLWSEPLO-CYBMUJFWSA-N 316.361 -0.229 30 20 DBED N#CCN1CC(CNC(=O)c2ccc(OCC(N)=O)cc2)C1 1031825939 YGMBQOXFAZUFOC-UHFFFAOYSA-N 302.334 -0.264 30 20 DBED C=CCN1CC[C@H](N2CC[C@@H](NC(=O)[C@H]3CCC(=O)N3)C2)C1=O 1032834291 KYZBWKKZXUSQFZ-UPJWGTAASA-N 320.393 -0.758 30 20 DBED C=C(Cl)CN1CCO[C@H](CNC(=O)[C@@H]2CN(C)CCO2)C1 1035328145 QIZZNBDSBFNSRF-OLZOCXBDSA-N 317.817 -0.114 30 20 DBED Cc1c(C(=O)NC[C@H]2CN(CC#N)CCO2)nn2c1OCCC2 1035392189 UFOBMDCQQZVXAR-LBPRGKRZSA-N 319.365 -0.072 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2CN([C@@H](C)COC)CCO2)nn1 1035536422 QDQFVTUEMDMAEC-QWHCGFSZSA-N 323.397 -0.070 30 20 DBED C=CCN1CCO[C@@H](CNC(=O)c2cn([C@H]3CCOC3)nn2)C1 1035573875 OJRKNELTUSWWRM-STQMWFEESA-N 321.381 -0.144 30 20 DBED C=CCn1cc(C(=O)N2CC[C@@H]3[C@H](CCN3CCO)C2)nn1 1036838122 SXXRYQNFXGTMHU-TZMCWYRMSA-N 305.382 -0.007 30 20 DBED C#CCN[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C[C@H]1CC 1037985531 LNUZYBSCFGRHLT-VXGBXAGGSA-N 306.366 -0.612 30 20 DBED C#Cc1cncc(C(=O)NC[C@@H]2CCN2CCS(C)(=O)=O)c1 1038683640 FHFAOCSDVNSIDF-AWEZNQCLSA-N 321.402 -0.088 30 20 DBED C=CCCC(=O)N1CC[C@@](O)(CNC(=O)[C@H](C)CC(N)=O)C1 1040476477 MAPOWJPQSCAGFY-IAQYHMDHSA-N 311.382 -0.456 30 20 DBED CCc1nc[nH]c1C(=O)NC[C@@]1(O)CCN(C(=O)[C@@H](C)C#N)C1 1040536557 NHDOQJGGAUPZHO-BONVTDFDSA-N 319.365 -0.175 30 20 DBED C=C[C@H](CC)CC(=O)NC[C@@]1(O)CCN(C(=O)CC(N)=O)C1 1040630877 XNWJIFBTIGOIEQ-ABAIWWIYSA-N 311.382 -0.456 30 20 DBED CN1CC[C@H](C(=O)N[C@@H]2CN(c3ncccc3C#N)C[C@H]2O)C1 1041048702 BRLQULSVBZYBRK-BFHYXJOUSA-N 315.377 -0.429 30 20 DBED C#CCCCCC(=O)N1CC(O)(CNC(=O)CNC(C)=O)C1 1041211591 WVIOJZNQNGOEHW-UHFFFAOYSA-N 309.366 -0.994 30 20 DBED O=C(NCC1(O)CN(C(=O)C#CC2CC2)C1)c1ccnc(F)c1 1041893259 FAEDAMVHLKQPBN-UHFFFAOYSA-N 317.320 -0.063 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)C[C@H]2CCCC(=O)N2)C1 1041956414 KRQURTAUQOWGSF-GFCCVEGCSA-N 323.393 -0.299 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)c2ccc(F)nc2)C1 1042039555 BUCALJXGYDRANG-UHFFFAOYSA-N 323.324 -0.274 30 20 DBED C=CCOCCCC(=O)NCC1(O)CN(C(=O)c2ccon2)C1 1042307086 LAFPXPVRMIXDBB-UHFFFAOYSA-N 323.349 -0.040 30 20 DBED C#CCCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCC(=O)N2)C1 1042658504 JUIFNRJKAZYKQK-LBPRGKRZSA-N 321.377 -0.852 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)[C@@H]2CCCOCC2)C1 1042822002 DLUGRGPFUBTWJA-NWDGAFQWSA-N 309.366 -0.348 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)Cc2ccc[nH]2)C1 1043036181 LOYALFRFSPCGFE-UHFFFAOYSA-N 319.361 -0.713 30 20 DBED C=C(C)CCC(=O)N1CC(O)(CNC(=O)c2cnnc(O)c2)C1 1043480182 MFMBWUSICJBGRJ-UHFFFAOYSA-N 320.349 -0.158 30 20 DBED C=CCCOCC(=O)NCC1(O)CN(C(=O)c2ccncn2)C1 1043568564 NRFWHJNCUZZLDQ-UHFFFAOYSA-N 320.349 -0.628 30 20 DBED C=CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)c2coc(C)n2)C1 1043571411 OOTHNILTIXUERQ-SNVBAGLBSA-N 323.349 -0.123 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)C[C@@H]3CCOC3)C2)nn1 1043886914 MQBPWTNGEDKUIB-UHTWSYAYSA-N 317.349 -0.559 30 20 DBED N#Cc1nccnc1N1C[C@H](O)[C@H](NC(=O)C2=CCOCC2)C1 1043917855 JOXIHJRLRNDPDQ-OLZOCXBDSA-N 315.333 -0.639 30 20 DBED C=C[C@@H](C)[C@H](C)C(=O)NCC1(O)CN(C(=O)Cc2nc[nH]n2)C1 1044981156 SXOHILUBVLBLFF-MNOVXSKESA-N 321.381 -0.505 30 20 DBED N#Cc1ccc(N[C@H]2C[C@@H](CNC(=O)[C@H]3CCC(=O)N3)C2)nn1 1046297920 KMHWPTXVJIFBOI-ADEWGFFLSA-N 314.349 -0.066 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)N(CC(N)=O)C3)c1 1047050622 LYLPRQQRMGJYJI-DLOVCJGASA-N 301.350 -0.046 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)c2n[nH]cc2F)C[C@@H]1O 1049402531 UHLZWJFBLCUXLF-JEZHCXPESA-N 309.301 -0.648 30 20 DBED N#Cc1nc(=N[C@@H]2CCCCCN(C(=O)CC(N)=O)C2)cc[nH]1 1049866719 BMTDSANXSRCSQV-LLVKDONJSA-N 316.365 -0.171 30 20 DBED C#CCCN1CCOC[C@@H]1CNC(=O)c1cnn(CCOC)c1 1051228283 FRBZDUIRFZXBHL-HNNXBMFYSA-N 320.393 -0.017 30 20 DBED N#Cc1cncc(N2CC[C@H](NC(=O)c3cc[nH]n3)[C@H](O)C2)n1 1051610377 AXHCSMFFXFOUFE-CMPLNLGQSA-N 313.321 -0.559 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1C 1052682947 FKVIDXIEGIUQOS-CHWSQXEVSA-N 321.381 -0.309 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)[C@@H](C)n1cncn1)CCO2 1053227250 VUDJDPFIBUXQBT-CYBMUJFWSA-N 303.366 -0.224 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)[C@H]3CCC(=O)N3C)CO2)C1 1053903544 STIPWVASLYILIH-CHWSQXEVSA-N 305.378 -0.410 30 20 DBED C=C(C)CN[C@H]1CN(C(=O)Cn2ccc(=O)n(C)c2=O)C[C@@H]1C 1054701066 ASAWLBISXNGGBD-STQMWFEESA-N 320.393 -0.440 30 20 DBED COC(=O)NCC(=O)N1C[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2C1 1055203758 QVSVOOIGIPKPJH-BETUJISGSA-N 319.361 -0.327 30 20 DBED N#Cc1ccc(N2C[C@H]3[C@H](NC(=O)[C@H]4CCC(=O)N4)[C@H]3C2)nn1 1056147768 QYUGUOISDMVVEY-DEKYYXRVSA-N 312.333 -0.822 30 20 DBED C[C@H](C(=O)N[C@H]1[C@@H]2CN(c3ccnc(C#N)n3)C[C@@H]21)n1cncn1 1056169758 WDSFLQGUYWLCGF-PUHVVEEASA-N 324.348 -0.248 30 20 DBED CCn1cc(C(=O)N[C@H]2[C@@H]3CN(c4ccc(C#N)nn4)C[C@@H]32)nn1 1056282260 JOXVLZLSBNKWRY-YABSGUDNSA-N 324.348 -0.176 30 20 DBED N#Cc1ccc(N2C[C@H]3[C@H](NC(=O)c4cncnc4O)[C@H]3C2)nn1 1056329785 CBFUJSNPKACIJA-PJXYFTJBSA-N 323.316 -0.292 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)[C@@H]1CC1(F)F 1057193241 CBFSUBWGYVHBEG-JTQLQIEISA-N 306.309 -0.219 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)Cc1cccnc1 1057351497 XBTQBNNZYYCDMQ-UHFFFAOYSA-N 321.377 -0.236 30 20 DBED N#Cc1ccc(NC2CCN(C(=O)[C@H]3CNC(=O)N3)CC2)nn1 1057408985 LHWZIZNZTIPBLE-LLVKDONJSA-N 315.337 -0.567 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)[C@H]1C[C@H]1C(=O)OC 1057439211 BPAAMVDJWSGJQG-QWHCGFSZSA-N 324.377 -0.464 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)C1(C)CCOCC1 1058099321 ZEQYIFUAYCNUQG-GFCCVEGCSA-N 311.382 -0.100 30 20 DBED C=CC(C)(C)C(=O)N(CCO)CCNC(=O)CCCC(N)=O 1058305917 NAIZBJDQSQTQKM-UHFFFAOYSA-N 313.398 -0.209 30 20 DBED CC(=O)N1CC(C(=O)N[C@@H]2CCN(c3cnc(C#N)cn3)C2)C1 1058336222 QNQHAVSICFVNDX-GFCCVEGCSA-N 314.349 -0.479 30 20 DBED C=C(C)C[C@@H](C)C(=O)NCCN(CCO)C(=O)c1nc[nH]n1 1058388777 ONHIDYSOWVRLMK-LLVKDONJSA-N 309.370 -0.042 30 20 DBED CC(=O)N1CC(C(=O)N[C@H]2C[C@H](Nc3cnc(C#N)cn3)C2)C1 1059199027 ROECSONHQDNEQY-HAQNSBGRSA-N 314.349 -0.114 30 20 DBED N#Cc1nccnc1N[C@H]1C[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 1059823236 KMPFRJKSEIRNOH-RGOKHQFPSA-N 300.322 -0.471 30 20 DBED COCC(=O)NC[C@@H]1COCCN1C(=O)c1cc(C#N)c[nH]1 1061194781 AXSLQQIXUYIMSB-LLVKDONJSA-N 306.322 -0.510 30 20 DBED C=C(C)CCC(=O)NC[C@H]1COCCN1C(=O)Cn1nccn1 1061631365 UDCCZSUGFXXJFN-ZDUSSCGKSA-N 321.381 -0.022 30 20 DBED O=C(C#CC1CC1)NCC1(NC(=O)[C@H]2COCCO2)CCC1 1062982740 WBHYLPQSHXHQSE-CYBMUJFWSA-N 306.362 -0.030 30 20 DBED C=CCOCC(=O)N1CCO[C@@H](CNC(=O)CCOC)C1 1064969563 FFBMSGUSVMCSPB-LBPRGKRZSA-N 300.355 -0.431 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@H]1CN(C(=O)c2cocn2)CCO1 1064971936 LVYUNXSTXVOZLE-IAQYHMDHSA-N 323.349 -0.041 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)C[C@H]2CCC(=O)N2)CCO1 1065331163 ADEUYEBTYNQNQM-OLZOCXBDSA-N 323.393 -0.035 30 20 DBED N#Cc1nccc(N2CCOC[C@H]2CNC(=O)[C@H]2CCOC2)n1 1066469797 HOIIGZDVTQKDMU-NWDGAFQWSA-N 317.349 -0.294 30 20 DBED C=CCOCC(=O)N(C)CCCN(C)C(=O)CCn1cnnn1 1066999243 TZGDODSDFOMRDN-UHFFFAOYSA-N 324.385 -0.427 30 20 DBED N#Cc1nccc(N2C[C@@H](O)[C@H](CNC(=O)c3cc[nH]c3)C2)n1 1067695692 NYTUPDXWOZRPLG-VXGBXAGGSA-N 312.333 -0.097 30 20 DBED C=CCCC(=O)N1CC2(C1)CN(C(=O)[C@@H]1CCC(=O)N1)CCO2 1068418365 JJPBCOYMLDGOHP-LBPRGKRZSA-N 321.377 -0.329 30 20 DBED C=CCCC(=O)N1CC2(CC[C@@H](CNC(=O)CNC(N)=O)O2)C1 1068507623 QJEGLQHBRQWION-NSHDSACASA-N 324.381 -0.503 30 20 DBED C=CC(C)(C)C(=O)NCC1(NC(=O)CC(N)=O)CCOCC1 1070049185 VOURXKMMXOYTHW-UHFFFAOYSA-N 311.382 -0.144 30 20 DBED C=CCN1CCN([C@H]2CCCN(C(=O)CC(N)=O)C2)C(=O)C1 1071258216 ANQWJPDEJCPVGQ-LBPRGKRZSA-N 308.382 -0.817 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(C(=O)C2CCC2)C[C@@H]1C 1071437217 RNPHRGWQBZMFMY-WCQYABFASA-N 305.378 -0.111 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](NC(=O)CC(C)(C)O)[C@H](C)C1 1071936514 QDFWAGZJVDHMHO-VXGBXAGGSA-N 323.393 -0.750 30 20 DBED C[C@H]1CC[C@@H](NC(=O)CN2CCC(=O)NC2=O)CN1CC#N 1071968106 RIBJGZHUMOLSCQ-WDEREUQCSA-N 307.354 -0.579 30 20 DBED CCNC(=O)CC(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C 1072048996 PZAYRIKXIMYOMS-DGCLKSJQSA-N 305.378 -0.111 30 20 DBED CC1(NC(=O)CC(N)=O)CCN(C(=O)CSCC#N)CC1 1072887344 AACBCDZFFCLEEJ-UHFFFAOYSA-N 312.395 -0.384 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)[C@@H]2CCCCN2C(N)=O)C1 1073854211 ZPYYOAIKXUMWBR-KBPBESRZSA-N 322.409 -0.240 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)c3c[nH]c(C(N)=O)c3)C[C@H]21 1074405990 ZBRBEXBFQNMCJI-KGLIPLIRSA-N 316.361 -0.338 30 20 DBED C=CCCC(=O)N1CCC(O)(CNC(=O)Cn2cnnn2)CC1 1074511646 QIVWFIGGCBXIQH-UHFFFAOYSA-N 322.369 -0.891 30 20 DBED C=CCCOCC(=O)N[C@@H](C)CCNC(=O)CS(C)(=O)=O 1075818567 WBTIWZFBRPIAPM-NSHDSACASA-N 320.411 -0.365 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H](C)CCNC(=O)c1nccnc1N 1075976506 FLLDFGYGVGPQKD-WDEREUQCSA-N 319.365 -0.278 30 20 DBED C[C@@H](CCNC(=O)c1c[nH]c(C#N)c1)NC(=O)c1cnn(C)n1 1076215549 LDAMHTZEQZCRFU-VIFPVBQESA-N 315.337 -0.047 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)[C@@H](C2CC2)N2CCOCC2)C1 1078214236 XWEXQQXGDKSWBX-BZUAXINKSA-N 323.437 -0.165 30 20 DBED N#CCN[C@H]1C[C@H]2CC[C@H]1N(C(=O)CC1CS(=O)(=O)C1)C2 1078981458 SHNMDDRJVHWRIM-KGYLQXTDSA-N 311.407 -0.086 30 20 DBED C#CCOCCC(=O)N1CC(N(CC)C(=O)CNC(=O)CC)C1 1079502953 ORIYJFUQXDGHKO-UHFFFAOYSA-N 323.393 -0.388 30 20 DBED C#CCOCCC(=O)N(CC)C1CN(C(=O)[C@@H]2COC(=O)N2)C1 1079772174 JUZCTYFUYNLLBI-LBPRGKRZSA-N 323.349 -0.806 30 20 DBED CCN(C(=O)C[C@H]1CC(=O)NC1=O)C1CN(C(=O)[C@@H](C)C#N)C1 1080071641 DADFKEXNBOXOAK-VHSXEESVSA-N 320.349 -0.742 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)Cc2ccc[nH]2)C[C@H]1O 1081347618 YEHSKOKXZQMRJL-GXTWGEPZSA-N 321.377 -0.305 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(C(=O)C2CCOCC2)C[C@@H]1O 1081470911 HELVRFJTKZFRMZ-CABCVRRESA-N 320.389 -0.238 30 20 DBED C#CCCN1C[C@@H](NC(=O)c2nnn(C(C)(C)C)n2)[C@H](OC)C1 1081707975 YFJODTDOTGYHTB-VXGBXAGGSA-N 320.397 -0.120 30 20 DBED C#CCN1C[C@@H](NC(=O)c2cc(=O)c(OC)c[nH]2)[C@H](OC)C1 1081946911 AGFTYPCXZIQJOT-BXUZGUMPSA-N 305.334 -0.554 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1ccc(C(N)=O)[nH]1 1083195560 BRUNMCOODLMMPS-QWHCGFSZSA-N 302.334 -0.728 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2cccc(-n3ccnn3)c2)C1 1084122295 MLBOBRMMDIAAPU-KGLIPLIRSA-N 312.333 -0.434 30 20 DBED C[C@H]1CC2(CCN(CC#N)CC2)CN1C(=O)Cn1cnnn1 1086901267 BDMFDNPDODHLRL-LBPRGKRZSA-N 303.370 -0.100 30 20 DBED C=CCCN1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@H]1CC 1087578445 VQASOPIHUTYPFX-NWDGAFQWSA-N 320.397 -0.078 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2ccn(CC(F)F)n2)[C@@H](O)C1 1090345850 YIEABQRWOAPCNI-KOLCDFICSA-N 313.308 -0.163 30 20 DBED N#Cc1cncc(N2C[C@@H](O)[C@H](NC(=O)COCC3CC3)C2)n1 1090395988 UCPRXXLTFNPYAA-CHWSQXEVSA-N 317.349 -0.559 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2ccn(CCOC)n2)[C@@H](O)C1 1090419828 CRKSNNNXLIYUMN-ZFWWWQNUSA-N 320.393 -0.282 30 20 DBED Cc1cc(C#N)nc(N2C[C@@H](NC(=O)CNC(N)=O)[C@H](C)C2)n1 1090649993 VGEBDUSZOMEXHU-LDYMZIIASA-N 317.353 -0.734 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2cnn3cc[nH]c23)[C@@H](O)C1 1090764085 QGSVXLMASOGSMF-OLZOCXBDSA-N 301.350 -0.149 30 20 DBED CO[C@@H](C)C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1OC 1090865236 SRUYTYNKLMTRSJ-HBNTYKKESA-N 305.338 -0.297 30 20 DBED C[C@@H]1[C@@H](NC(=O)C2(C(N)=O)CC2)CCN1c1nccnc1C#N 1092044947 LJNFBRRQQMECLY-ZJUUUORDSA-N 314.349 -0.303 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H]1[C@@H]2CN(c3ccnc(C#N)n3)C[C@@H]21 1093310650 KBLPEYNWGYILAF-FJJYHAOUSA-N 311.345 -0.063 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)CN3CCCC3)CC2=O)C1 1094817810 QYJWIDIVVXCCEN-ZDUSSCGKSA-N 306.410 -0.331 30 20 DBED N#Cc1cnc(N[C@@H](CNC(=O)Cn2nccn2)C2CC2)cn1 1096735932 AKCRNBDAXNGYFP-LBPRGKRZSA-N 312.337 -0.053 30 20 DBED C[C@@H](C(=O)NC[C@@H](C)Nc1nccnc1C#N)N1CCOCC1 1097925285 LISCQPCSMDDTNL-NEPJUHHUSA-N 318.381 -0.014 30 20 DBED C[C@@H](CNC(=O)CN1CC(=O)NC1=O)Nc1ccc(C#N)cn1 1098008430 OZPOFPWERCACGU-VIFPVBQESA-N 316.321 -0.578 30 20 DBED CCNC(=O)CN1CC[C@H](NC(=O)C#CC(C)(C)C)[C@@H](O)C1 1099829399 FAVVXUREKWWVEH-STQMWFEESA-N 309.410 -0.277 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)CC2=CCOCC2)[C@@H](O)C1 1099988493 IZQMYTFKFCEHQG-CVEARBPZSA-N 322.405 -0.076 30 20 DBED CS(=O)(=O)C1(C(=O)N[C@@H]2CCN(CC#N)C[C@@H]2O)CCC1 1100057033 BZLNSNLVEJYPLV-MNOVXSKESA-N 315.395 -0.971 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CCCC(=O)N(C)C)[C@H](O)C1 1100078103 DAHDAIYUHYQHFC-ZIAGYGMSSA-N 309.410 -0.180 30 20 DBED C=CCCOCC(=O)N[C@@H]1CCN(Cc2n[nH]c(C)n2)C[C@@H]1O 1100139514 RWKOZONRFGBULV-OLZOCXBDSA-N 323.397 -0.243 30 20 DBED C#CCCNC1CC(CNC(=O)[C@H](C)NS(=O)(=O)CC)C1 1100350926 DLDLUJJAGZEHEA-HIFPTAJRSA-N 315.439 -0.178 30 20 DBED CCN(CCNC(=O)CS(C)(=O)=O)c1ccc(C#N)nn1 1100470321 IKTGGVYFLVCCCH-UHFFFAOYSA-N 311.367 -0.665 30 20 DBED C[C@@]1(C(=O)NCC2CC(NCC(=O)NCC#N)C2)CCCOC1 1100804289 NCQSKIQZZKYSNM-SEEARECTSA-N 322.409 -0.073 30 20 DBED C[C@H](NC(N)=O)C(=O)NCCN(c1ccnc(C#N)n1)C1CC1 1101327396 RJXANSAAFZSGEC-VIFPVBQESA-N 317.353 -0.510 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)CCn1ccnn1 1101563163 RRDPYUGKZJJQFD-UHFFFAOYSA-N 300.326 -0.678 30 20 DBED COCC#CCN1C[C@@H](C)[C@H](CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 1102368388 RHYRPENDWAORTP-SYQHCUMBSA-N 307.394 -0.558 30 20 DBED C#CCCN1C[C@@H](C)[C@H](CNC(=O)Cn2c(O)nnc2O)C1 1102531214 HLVNKHGFYQVACI-GHMZBOCLSA-N 307.354 -0.603 30 20 DBED N#Cc1cncc(N2CCCC[C@@H](NC(=O)CC(N)=O)C2)n1 1102863269 RUIFABZBYKEBMD-SNVBAGLBSA-N 302.338 -0.301 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@@H]1CN(C[C@@H](C)O)C[C@H]1C 1102891433 VKXPIIODVUPNAG-MGPQQGTHSA-N 309.410 -0.419 30 20 DBED CC(=O)NCC(=O)N1CCC[C@@H]1CN=c1cc[nH]c(C#N)n1 1103788181 QNFSFNZJBRECES-LLVKDONJSA-N 302.338 -0.691 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H](C)CNc1cncc(C#N)n1 1103956227 MYMVJEIDCNUHQS-LLVKDONJSA-N 314.349 -0.348 30 20 DBED CNS(=O)(=O)CC(=O)N1C[C@@H](C)[C@H](CCNCC#N)C1 1105024787 GABOWNOABDBSOB-GHMZBOCLSA-N 302.400 -0.867 30 20 DBED C=CCNCc1cn(C2CN(C(=O)[C@H]3CCN(C)C3=O)C2)nn1 1105309821 DBRFENUYFKXADD-ZDUSSCGKSA-N 318.381 -0.585 30 20 DBED Cc1ocnc1C(=O)NC[C@H](O)CN=c1cc[nH]cc1C#N 1105729504 OSLXSFPSCBOLOO-LLVKDONJSA-N 301.306 -0.126 30 20 DBED Cn1nccc1CC(=O)NC[C@H](O)CNc1nccnc1C#N 1105806003 OFTARVFMVHPNBH-NSHDSACASA-N 315.337 -0.787 30 20 DBED CC(C)C#CC(=O)NC[C@@H](O)CNc1nc[nH]c2ncnc1-2 1105811907 LSTYNYSKQFVUFI-SNVBAGLBSA-N 302.338 -0.147 30 20 DBED COCCOCCC(=O)NC[C@@H](O)CN=c1cc[nH]cc1C#N 1105881326 XYVRDNWLVMKQQU-ZDUSSCGKSA-N 322.365 -0.683 30 20 DBED C=C1CC(C)(C(=O)NC[C@@H](O)CNc2nccn3nnnc23)C1 1106093956 BRLVNYASQXXVJI-JTQLQIEISA-N 317.353 -0.235 30 20 DBED C#CCNC[C@@H]1CN(C(=O)c2cn(CCOC)nn2)C[C@H]1C 1106117656 XRSQATUIXFVCBT-CHWSQXEVSA-N 305.382 -0.145 30 20 DBED N#Cc1ccc(NC/C=C\CNC(=O)CN2CCOCC2)nn1 1107134179 UFYAFULJGOBCSA-UPHRSURJSA-N 316.365 -0.235 30 20 DBED C#CCNC(=O)CN1CCO[C@](C)(CNC(=O)/C=C\C2CC2)C1 1107840958 FQSRWMZDKGUZDA-JTGQJZMRSA-N 319.405 -0.091 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](C)NC(=O)[C@@H]2CCC(=O)N2)n1 1107859240 SKHAIZFFUWCXRL-KOLCDFICSA-N 302.338 -0.148 30 20 DBED Cn1cnc(C(=O)NC[C@]2(C)CN(CC#N)CCO2)cc1=O 1108004641 ZLYDDOOIQIEPQH-CQSZACIVSA-N 305.338 -0.875 30 20 DBED CC#CCN1CCO[C@@](C)(CNC(=O)c2cn(C)c(O)n2)C1 1108183973 JJRBNPSSSYWABJ-HNNXBMFYSA-N 306.366 -0.030 30 20 DBED C[C@]1(CNC(=O)[C@H]2CCCCC(=O)N2)CN(CC#N)CCO1 1108207372 PGIMVOZYYJBPKH-DOMZBBRYSA-N 308.382 -0.224 30 20 DBED C=CCn1cc(C(=O)NC[C@]2(C)CN(CCCO)CCO2)nn1 1108266561 OBPQPWFZOZWTDD-OAHLLOKOSA-N 323.397 -0.333 30 20 DBED C[C@@H](CNc1ccc(C#N)nn1)NC(=O)[C@H]1CN(C)CCO1 1108303479 UAPNRJRKZKLGKH-CMPLNLGQSA-N 304.354 -0.405 30 20 DBED COCCCCC(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1 1108522904 YMRDBBMYIMKECX-LBPRGKRZSA-N 308.382 -0.272 30 20 DBED C[C@@H](CNc1cncc(C#N)n1)NC(=O)[C@@H]1CC(=O)N(C)C1 1108748606 UYWQUYUPILNFKR-VHSXEESVSA-N 302.338 -0.257 30 20 DBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cnccn1 1108872619 BHVYSUJGDYEAKB-MDZLAQPJSA-N 314.349 -0.549 30 20 DBED C#CCOCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1nc(O)n[nH]1 1109270672 QODXIJIDVHCUNR-WOPDTQHZSA-N 319.365 -0.228 30 20 DBED Cc1nn[nH]c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1109587424 HTWQZIGWWMVMAC-VWYCJHECSA-N 317.353 -0.912 30 20 DBED N#Cc1cccnc1NC[C@@H](NC(=O)CNC(N)=O)C1CC1 1109754155 TVCBKBNYNZOZHV-LLVKDONJSA-N 302.338 -0.072 30 20 DBED N#Cc1cncc(NC2(CNC(=O)[C@H]3COCCO3)CC2)n1 1110058492 LWRNBUDLRHMEIZ-LLVKDONJSA-N 303.322 -0.176 30 20 DBED CCN(CC)CC(=O)N(CCO)CCNc1cnc(C#N)cn1 1111480881 OILDCFGOFYQRPB-UHFFFAOYSA-N 320.397 -0.077 30 20 DBED N#Cc1nccc(NC2(CNC(=O)[C@H]3C[C@H]3C(N)=O)CCC2)n1 1111904104 JQBPUUQGSACFJA-ZJUUUORDSA-N 314.349 -0.080 30 20 DBED CC[C@@H]1OCCC[C@@H]1C(=O)N1CCN(CC(=O)NCC#N)CC1 1112939596 CFGFQEXSZODTSA-KBPBESRZSA-N 322.409 -0.024 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@@H]2COCCN2CC)CC1 1113050825 VXCWFHDHHHFWCV-AWEZNQCLSA-N 324.425 -0.847 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN([C@@H](CC)C(N)=O)CC1 1113409845 BSSUVHUQVCKMRR-KGLIPLIRSA-N 324.425 -0.135 30 20 DBED C[C@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)N(C)c1ccc(C#N)nc1 1113801850 BKYHBLTZNZEQAV-MFKMUULPSA-N 316.365 -0.082 30 20 DBED CCc1cc(C(=O)NC2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]23)n[nH]1 1113897445 VKPKNOUAEGPRQU-GHMZBOCLSA-N 316.365 -0.728 30 20 DBED CNC(=O)NC(=O)CN1C[C@H]2[C@H](NC(=O)C#CC(C)(C)C)[C@H]2C1 1114256302 YAPLUHATRCGSPF-YABSGUDNSA-N 320.393 -0.462 30 20 DBED CC(=O)NCC(=O)NCC1[C@@H]2CN(c3ccc(C#N)nn3)C[C@@H]12 1114503496 OHEOCURLHSPHAB-STQMWFEESA-N 314.349 -0.717 30 20 DBED C[C@@H](CN(C)C(=O)[C@@H]1CCC(=O)N1)N=c1cc[nH]c(C#N)n1 1115787384 AIOHIHWJCXGQMP-UWVGGRQHSA-N 302.338 -0.692 30 20 DBED C[C@H]1CN(C(=O)NCC#CCO)CC[C@@H]1N1CCN(C)CC1 1119617893 XKRXIYNSWXLLJE-GJZGRUSLSA-N 308.426 -0.351 30 20 DBED C=CCS(=O)(=O)CCn1nnnc1N1CC[C@H](OCC)C1 1120106323 KYCMLXGLTQJGAZ-NSHDSACASA-N 315.399 -0.111 30 20 DBED C[C@H](CN(C)C(=O)C1CS(=O)(=O)C1)Nc1ccc(C#N)nn1 1120122670 HIFJDTSPYXYPQQ-SECBINFHSA-N 323.378 -0.348 30 20 DBED CCCC(=O)NCC(=O)NC[C@H](CO)N=c1cc[nH]cc1C#N 1121157812 JEKBSQYLDRHAJS-GFCCVEGCSA-N 319.365 -0.820 30 20 DBED COCC[C@H](C)C(=O)NC[C@H](CO)Nc1cncc(C#N)n1 1121607486 PBYUKKOKYAUJGD-CMPLNLGQSA-N 307.354 -0.090 30 20 DBED C=CCCOCC(=O)NC[C@@H](CO)Nc1nccnc1C#N 1121748751 DYJKYTLBMLJRBF-NSHDSACASA-N 305.338 -0.170 30 20 DBED CC[C@@H]1OCC[C@H]1C(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1 1122919940 OLLKWXDZCGRMJP-TUAOUCFPSA-N 319.365 -0.526 30 20 DBED CC(=O)NCC(=O)N[C@H]1CCCN(c2ccc(C#N)nn2)[C@H]1C 1123512097 BTSNLPMKZPMFRL-GWCFXTLKSA-N 316.365 -0.042 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]cc1C#N)C(=O)c1ccnn1C 1124150531 UNWISHXJIPQDIN-GFCCVEGCSA-N 314.349 -0.346 30 20 DBED CN1CC[C@H](C(=O)N(C)C[C@H](O)CN=c2cc[nH]cc2C#N)C1 1124352363 MPGFCUSCEZTFRE-GXTWGEPZSA-N 317.393 -0.442 30 20 DBED CN(C[C@H](O)CNc1cncc(C#N)n1)C(=O)Cc1ncc[nH]1 1124485227 ZDECUTKVAAPQON-LLVKDONJSA-N 315.337 -0.455 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)[C@H](CC)OC 1124572413 CCMAYQHQQFJDLI-MNOVXSKESA-N 314.386 -0.483 30 20 DBED CN(C[C@@H](O)CNc1nccnc1C#N)C(=O)[C@]1(F)CCOC1 1124664941 CBROXNLJOWWNSO-HZMBPMFUSA-N 323.328 -0.292 30 20 DBED COCCS(=O)(=O)CCCNCCNC(=O)[C@H](C)C#N 1124901510 ABDMCZHYQYANAT-LLVKDONJSA-N 305.400 -0.697 30 20 DBED C=CCOCC(=O)N[C@@H]1CN([C@H](C)COC)C[C@@H]1n1ccnn1 1128812373 XRIGYQYAXPNJQH-MCIONIFRSA-N 323.397 -0.143 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)c1cnn2ncccc12 1129606229 DTTIYTCMXPVDMY-NSHDSACASA-N 316.365 -0.261 30 20 DBED C=CCNC(=O)CNCCNC(=O)CCc1c(C)ncnc1O 1130766607 OOQLVVPYIPUEBJ-UHFFFAOYSA-N 321.381 -0.569 30 20 DBED C[C@H]1CC[C@@H](NC(=O)c2cnn(C)c2)CN1CC(=O)NCC#N 1131776908 YDCVDFWGIVFYFI-WCQYABFASA-N 318.381 -0.357 30 20 DBED C[C@H]1CC[C@@H](NC(=O)CCCN2C(=O)CNC2=O)CN1CC#N 1132478727 NREYBOLYRGXCJI-NWDGAFQWSA-N 321.381 -0.189 30 20 DBED C#CCCN[C@@H](C)C[C@H](C)NC(=O)CS(=O)(=O)CCOC 1134764476 OEIYLBYZSKTQFS-STQMWFEESA-N 318.439 -0.056 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1cnc(C2CC2)nc1 1134856780 PHEBNHPIHRVTGI-NSHDSACASA-N 315.377 -0.189 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)c1nonc1C 1146746669 SOKQORRVSWWSLL-VHSXEESVSA-N 307.354 -0.386 30 20 DBED C=CCNC(=O)CN1CCCO[C@@H](CNC(=O)c2ncc[nH]2)C1 1149672605 FWWXVWGBWYEBPX-LBPRGKRZSA-N 321.381 -0.467 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H](C)N(CC)CCS(C)(=O)=O 1153332241 RSHWPZVIUOEERQ-OLZOCXBDSA-N 318.439 -0.104 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)Cc1cnc(C)o1 1153806483 IBCCRKRSAYECQB-LLVKDONJSA-N 321.381 -0.008 30 20 DBED C#CCOCCC(=O)NCCCNC[C@@H]1CCc2ncnn21 1157846266 PXBSWOKJKAIACH-ZDUSSCGKSA-N 305.382 -0.099 30 20 DBED CC(C)n1nccc1C(=O)NCCCNCC(=O)NCC#N 1158864403 UBZJYHSAOAZWEQ-UHFFFAOYSA-N 306.370 -0.187 30 20 DBED N#CCNC(=O)CNCCCNC(=O)[C@H]1CC[C@@H]2CCCCN21 1160867969 JCNIBEPRDAZFPW-UONOGXRCSA-N 321.425 -0.261 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)c1c(C)cnn1C 1164202115 XTTJMWFJSYFDJQ-GFCCVEGCSA-N 305.382 -0.424 30 20 DBED N#CCNCC1(CCNC(=O)CNC(=O)C2CCOCC2)CC1 1167476769 JOICBOHLWNFRFX-UHFFFAOYSA-N 322.409 -0.071 30 20 DBED CC#CCNCCCC[C@H](C)NC(=O)[C@@H]1CC(=O)NC(=O)N1 1175503420 PHKOQBCTVPOMBA-RYUDHWBXSA-N 308.382 -0.128 30 20 DBED C#CCNC(=O)CN1CCO[C@@H]2CCN(C(=O)COCC)C[C@@H]21 1176900512 MILVRNRUWAJHTM-UONOGXRCSA-N 323.393 -0.926 30 20 DBED C#CCNC(=O)CNCCCCCCNC(=O)CC(=O)NCC 1178267110 XUDYZRBGMUJZHK-UHFFFAOYSA-N 324.425 -0.472 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2cnnc(C)c2)[C@H]1C 1178555477 PRAWZUUYRJRQTR-JSGCOSHPSA-N 315.377 -0.273 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC[C@H](NCC(=O)NCC#N)[C@@H]1C 1178582352 XPOBKYTYMBGFKP-SLEUVZQESA-N 308.382 -0.468 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)c2cnnn2C)[C@H]1C 1178595528 XYQNFNKVSGJTOT-QWRGUYRKSA-N 306.370 -0.690 30 20 DBED N#CCNC(=O)CNCCCCCCNC(=O)Cn1ccnc1 1180469731 DLYRANWKZJLJRH-UHFFFAOYSA-N 320.397 -0.211 30 20 DBED C[C@@H]1CN(C(=O)c2cc(=O)n(C)cn2)C[C@@]1(C)CNCC#N 1181772878 WGHJEFQGRLIFFK-IAQYHMDHSA-N 303.366 -0.008 30 20 DBED N#CCNC(=O)CN[C@@H]1CCN(C(=O)c2cnn3c2CCC3)C1 1183094900 UROSAHIOOICXRS-LLVKDONJSA-N 316.365 -0.727 30 20 DBED C#CCNC[C@@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C[C@@H]1C 1185750544 JZGLANHFNOLAOB-RYUDHWBXSA-N 318.381 -0.916 30 20 DBED C=CCCN[C@@H]1CCN(C(=O)[C@H](CCC(N)=O)NC(C)=O)C1 1186377339 PRWDWWXANJZEMS-OLZOCXBDSA-N 310.398 -0.477 30 20 DBED C=CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3cccnn3)[C@@H]2C1 1189498650 RCUFUGFMGXLJMK-GXTWGEPZSA-N 315.377 -0.075 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2ccc(C)nc2)C1 1191095795 BRKBFZXBQLMOAF-ZIAGYGMSSA-N 318.377 -0.533 30 20 DBED CCCn1ncnc1CN1C[C@@H](O)[C@H](NC(=O)C#CC2CC2)C1 1192770618 NWMNDWXVOUCLRL-ZIAGYGMSSA-N 317.393 -0.237 30 20 DBED COCC#CCN(C)[C@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C1 1192836604 ACKCLDZGYLZOJP-ZDUSSCGKSA-N 321.377 -0.778 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)CCc2ccc(O)nc2)C1 1195623691 PDAKFADCRPEPAQ-ZIAGYGMSSA-N 303.362 -0.096 30 20 DBED CN(C)C1(C(=O)N2CCCN(CC(=O)NCC#N)CC2)CCC1 1196155885 UVYZAZXRDCKING-UHFFFAOYSA-N 321.425 -0.355 30 20 DBED C#CCNC(=O)CC(=O)N1CCCO[C@H](CNCC2CC2)C1 1200320988 CYMVVZCHYFZQGH-CQSZACIVSA-N 307.394 -0.257 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)CCn2ccnn2)CCCO1 1200359772 IJGUBCUMTHBUIO-CQSZACIVSA-N 305.382 -0.101 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)c2cnn[nH]2)CCCO1 1200865960 OBQLMOQJMHVPNP-GFCCVEGCSA-N 307.354 -0.725 30 20 DBED C=C(C)CNC[C@@H]1CN(C(=O)CN2C(=O)CCC2=O)CCCO1 1202021775 QDOVBNRYQDQABN-CYBMUJFWSA-N 323.393 -0.081 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)[C@@H]2CCCOC2)CC1 1204741967 LKMPIBYQKJMTCA-OAHLLOKOSA-N 321.421 -0.009 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)[C@@H]2CCNC(=O)C2)[C@H](C)C1 1206870667 HCKJKRIESQYAHX-JHJVBQTASA-N 322.409 -0.749 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2cnnn2CC)[C@H](C)C1 1206929646 VATUPXSGBYBCPJ-VXGBXAGGSA-N 318.381 -0.903 30 20 DBED N#CCNC(=O)CN[C@H]1CCCN(C(=O)Cn2cccn2)C1 1207298801 OBJZELPXRIAQAR-LBPRGKRZSA-N 304.354 -0.897 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)C(C)(C)C(N)=O)[C@H](C)C1 1207643765 LLHFMLFWNNFDDV-GRYCIOLGSA-N 324.425 -0.375 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(CCn2cncn2)C[C@H]1OC 1212264670 NLYSJOPGSBEDJQ-BFHYXJOUSA-N 321.381 -0.868 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CCNC(=O)C2)C[C@H]1C 1214431209 PWBKDRSFLTYRJB-JHJVBQTASA-N 322.409 -0.749 30 20 DBED C[C@@H]1CN(C(=O)[C@@]2(C)CCOC2)C[C@H]1NCC(=O)NCC#N 1216065559 RKENEJLFEGBZLE-JMSVASOKSA-N 308.382 -0.511 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CNC(=O)c1ccco1 1219021215 FZAGQSZKZGDAJY-WCQYABFASA-N 318.333 -0.555 30 20 DBED C=CCCC(=O)N[C@@H]1CN(CC(=O)NC(=O)NC2CC2)C[C@@H]1O 1219333362 XXAMFCWWARRMAE-NEPJUHHUSA-N 324.381 -0.898 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C[C@@H](C)CCC)C1 1219340794 OFNCJHGGRGLGAN-MJBXVCDLSA-N 309.410 -0.277 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2ccn(C)n2)C[C@@H]1O 1219605540 VTGJWSLGUDBDEZ-BNOWGMLFSA-N 306.366 -0.880 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)c2cnn(CCOCC)c2)C1 1220618425 SNBVNPMIQYHALM-KGLIPLIRSA-N 308.382 -0.120 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)C[C@@H]2CCCOC2)C1 1220985673 AYIDRXYLIGDRKW-ZNMIVQPWSA-N 310.394 -0.386 30 20 DBED C=CCNC(=O)[C@H](C)N1CCC(CNC(=O)c2cnn[nH]2)CC1 1223720285 URVDRQJFCVXDTQ-NSHDSACASA-N 320.397 -0.063 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)c2ccn(C)n2)CC1 1225426798 HKZGXUJWFASLQE-UHFFFAOYSA-N 317.393 -0.389 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)[C@H]2CCCC(=O)N2)CC1 1227923804 WKHKDJTYNLPPKS-CYBMUJFWSA-N 322.409 -0.462 30 20 DBED CCNC(=O)NC(=O)CN1CC[C@H]1CN(C)C(=O)[C@H](C)C#N 1231246956 JEUDHAVCIWVJIA-MNOVXSKESA-N 309.370 -0.476 30 20 DBED C=CCNC(=O)CN(C)CCCNC(=O)Cc1cnn(C)c1 1235418994 UOCLGVBHDSLWFI-UHFFFAOYSA-N 307.398 -0.297 30 20 DBED N#Cc1ccc(NC(=O)C(=O)N2CCC(O)(CO)CC2)c(F)c1 1261612175 MACQMJWYBAZSTC-UHFFFAOYSA-N 321.308 -0.018 30 20 DBED C#CC[C@@H](CCOC)NC(=O)N(C)CCNS(C)(=O)=O 1262004944 LOVKPHVUIBPVMP-NSHDSACASA-N 305.400 -0.395 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)CCCn2cccn2)C1 1316994791 LFWBPOWVCPLYGI-AWEZNQCLSA-N 317.393 -0.397 30 20 DBED C#CCNC(=O)C1CCN(C(=O)N[C@H](C)C[S@@](C)=O)CC1 1321257887 KVXSWUDMWCCALU-WSVYEEACSA-N 313.423 -0.076 30 20 DBED CN1CCN(C(=O)C(=O)N2CCC[C@](C)(C#N)C2)[C@H](CN)C1 1325756259 SHHNPXRMFWJOOZ-IUODEOHRSA-N 307.398 -0.760 30 20 DBED C#CCNC(=O)C1CCN(C(=O)C(=O)N[C@@H]2C[C@H]2CC)CC1 1326154277 AHRMSUPAKUSZQE-DGCLKSJQSA-N 305.378 -0.111 30 20 DBED CC#CC[C@@H](CO)NS(=O)(=O)C[C@H]1CCCS(=O)(=O)C1 1326325755 NJTYONDNXLVBCN-RYUDHWBXSA-N 323.436 -0.495 30 20 DBED CS(=O)(=O)[C@H]1CCN(C(=O)C(=O)Nc2cccc(C#N)n2)C1 1326822241 YJTFPDDVPYUUSO-JTQLQIEISA-N 322.346 -0.463 30 20 DBED Cc1ccc(CCNC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)cn1 1328273786 VFSFBGISLXTYKM-INIZCTEOSA-N 316.361 -0.074 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)C(=O)N2CCN(CC3CC3)CC2)C1 1332357123 XTCHWYONHFRWMS-MRXNPFEDSA-N 320.393 -0.582 30 20 DBED C=CCn1nnnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1334449578 UELJXBPTLXTAIF-JTQLQIEISA-N 300.388 -0.375 30 20 DBED C#CCN1CCN(C(=O)[C@H]2CC(c3cnn(C)c3)=NO2)CC1 1336586488 VZTWRHJVEIGLST-CQSZACIVSA-N 301.350 -0.310 30 20 DBED C#Cc1ccc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)OC)nc1 1339119811 UOBCRVKPNYNJBQ-LBPRGKRZSA-N 322.342 -0.525 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCC(c2nncn2C)CC1 1342445582 MPIIWWCVFXKMLR-UHFFFAOYSA-N 319.365 -0.713 30 20 DBED C#CCN(C)CCCNC(=O)N[C@H](C)[C@@H]1CN(C)CCN1C 1346373490 GHIPIXQZNRNAAV-CABCVRRESA-N 309.458 -0.125 30 20 DBED C[C@@H]1C[C@H](N)CN1C(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1351984522 MKQLDCIPGSXGMU-NTZNESFSSA-N 305.382 -0.867 30 20 DBED C=CCN(C(=O)[C@@H]1CNCCN1C)[C@H]1CCS(=O)(=O)C1 1357203599 BZYYHQOSQZRVAQ-RYUDHWBXSA-N 301.412 -0.908 30 20 DBED COC(=O)C1(C#N)CCN(C(=O)[C@H](C)S(C)(=O)=O)CC1 1361545691 HVGJMSCIANTGSI-VIFPVBQESA-N 302.352 -0.275 30 20 DBED N#Cc1cn(CC(=O)N2CCCn3nccc32)c(=O)nc1O 1361961992 MBBDBIXFIZATKF-UHFFFAOYSA-N 300.278 -0.546 30 20 DBED CC(C)(O)C(C)(C)CNC(=O)Cn1cc(C#N)c(O)nc1=O 1362684592 FCHTYJLQBMJGLV-UHFFFAOYSA-N 308.338 -0.266 30 20 DBED N#Cc1cn(CC(=O)N2CC[C@@H](C3OCCO3)C2)c(=O)nc1O 1362923104 VKTRLSJAZJAZBU-SECBINFHSA-N 320.305 -0.958 30 20 DBED CCC(O)(CC)CN(C)C(=O)Cn1cc(C#N)c(O)nc1=O 1364366075 YQVPHANIWTVSKG-UHFFFAOYSA-N 308.338 -0.170 30 20 DBED CC(C)(CC#N)CS(=O)(=O)NC[C@H]1CC[C@H](C(N)=O)O1 1364792135 BVSDMUBZJYJTAX-NXEZZACHSA-N 303.384 -0.121 30 20 DBED CC1(C#N)CN(S(=O)(=O)C[C@H]2CCCS(=O)(=O)C2)C1 1364825551 GITYKPRFIVPTFQ-JTQLQIEISA-N 306.409 -0.014 30 20 DBED C=C(Cl)CN1CCC[C@@H](NC(=O)CS(=O)(=O)NC)C1 1376070906 IXTFZZYSHJXCFX-SNVBAGLBSA-N 309.819 -0.131 30 20 DBED C=C(Cl)CN[C@H](C)CN(C)C(=O)CNC(=O)CNC(C)=O 1379147383 FQEGSYBKLXDUHB-SNVBAGLBSA-N 318.805 -0.572 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@](C)(NC(=O)CN1CCOCC1)C1CC1 1388260954 HPMSQYPOXPLTED-BLLLJJGKSA-N 322.409 -0.121 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C)C(=O)[C@@H]1CCc2nnnn2CC1 1398016591 UCQPNISJGBYPRW-WDEREUQCSA-N 319.369 -0.640 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CCNC(=O)C1)NC(=O)c1cc(C#N)c[nH]1 1400158071 KUSWUXLTGPDGFS-GXSJLCMTSA-N 317.349 -0.353 30 20 DBED COC(=O)CNC(=O)[C@@H](C)N1CCC(C#N)(C(=O)OC)CC1 1414007282 SLRYSQCPFVFPEG-SNVBAGLBSA-N 311.338 -0.557 30 20 DBED COCC(=O)NCc1nc(O)cc(CNC(=O)[C@@H](C)C#N)n1 1414265680 DLJILIDEYWJWAM-QMMMGPOBSA-N 307.310 -0.779 30 20 DBED CNC(=O)NCCC(=O)N1CCC[C@@H]1CNC(=O)[C@@H](C)C#N 1415765555 CTOTXXDZPPFKGO-WDEREUQCSA-N 309.370 -0.428 30 20 DBED C[C@H](C#N)C(=O)NC[C@@](C)(NC(=O)Cn1cncn1)C1CC1 1416371295 YCYVUDRSXRWSHK-QMTHXVAHSA-N 304.354 -0.161 30 20 DBED Cc1nn(C)cc1C(=O)NC[C@]1(O)CCN(C(=O)[C@H](C)C#N)C1 1417435064 RBPAULIKFBFAMJ-MEBBXXQBSA-N 319.365 -0.419 30 20 DBED CNC(=O)NCC(=O)N[C@@H](C)CN(C)C(=O)c1cc(C#N)c[nH]1 1425029892 ZMAQOBJFJGXOAA-VIFPVBQESA-N 320.353 -0.608 30 20 DBED Cn1ccnc1CNC[C@@H](O)CNC(=O)c1cc(C#N)c[nH]1 1438987998 ZRYDKDOFFOBDLY-LLVKDONJSA-N 302.338 -0.500 30 20 DBED C[C@H](C#N)C(=O)NCCN1CCN(C(=O)CCCC(N)=O)CC1 1446923801 QZXAIMFYYXPKKG-GFCCVEGCSA-N 323.397 -0.938 30 20 DBED Cc1cc(F)cc(C#N)c1S(=O)(=O)N[C@H](CO)C(=O)O 1574136658 FWUCPZQAPVAJIL-SECBINFHSA-N 302.283 -0.270 30 20 DBED C#CC[C@H]1CCCN(C(=O)C(=O)N2CCO[C@@H](C(=O)O)C2)C1 1588392169 UVPKEOUBLJJWHJ-NWDGAFQWSA-N 308.334 -0.440 30 20 DBED C=C(C)C[C@H](NC(=O)C1CCN(S(N)(=O)=O)CC1)C(=O)O 1588540997 QDCXJMZWFZCLNO-JTQLQIEISA-N 319.383 -0.563 30 20 DBED COCCN(CCC(=O)O)C(=O)NCCn1cnc(C#N)n1 1594005708 WPZWEQIRBBLCSX-UHFFFAOYSA-N 310.314 -0.718 30 20 DBED C[C@H]1CN(CCc2cn(CC(=O)O)nn2)C[C@@H](C)N1CC#N 1594532551 XYEHJNVHJOJHJW-TXEJJXNPSA-N 306.370 -0.177 30 20 DBED COC[C@]1(C(=O)O)CCCN1C(=O)[C@H](C)n1cnc(C#N)n1 1599191509 UKKBOAZHSXVBSW-ZANVPECISA-N 307.310 -0.197 30 20 DBED C#CCN(CC(=O)O)C(=O)[C@H]1CC(c2cn(C)nc2C)=NO1 1602682310 MLSSVKRORQGHAD-GFCCVEGCSA-N 304.306 -0.232 30 20 DBED C#CCCN(CCOC)Cn1cccc(-c2nn[nH]n2)c1=O 1602712148 FKODSFWCHZINOZ-UHFFFAOYSA-N 302.338 -0.042 30 20 DBED C#CCOCCC(=O)NCC1(NC(=O)[C@@H]2C[C@H]2C(=O)O)CCC1 1602728366 SKGSAZCJAMRNQN-VXGBXAGGSA-N 322.361 -0.098 30 20 DBED C=CCN1CC[C@@H](N(C)S(=O)(=O)CCCC(=O)O)C1=O 1602898731 WOWIIQBTWJDUNO-SNVBAGLBSA-N 304.368 -0.100 30 20 DBED C=CCn1cc(C(=O)N2C[C@@H](C(=O)O)CC[C@H]2C(=O)OC)nn1 1602937843 KOROHPOIWZRFOM-ONGXEEELSA-N 322.321 -0.058 30 20 DBED N#Cc1c(-c2nn[nH]n2)nc(N)n1C[C@@H]1C[C@@H]2COC[C@H]2O1 1606355776 OGCAXGCLLDZTLE-BKPPORCPSA-N 302.298 -0.679 30 20 DBED N#Cc1cc(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)O)cs1 1608193593 JGDHVSKYYBIQRN-SECBINFHSA-N 314.344 -0.056 30 20 DBED N#Cc1cccc([C@H](C(=O)O)N2C[C@H](C(N)=O)[C@@H](C(N)=O)C2)c1 1608215878 SLLWOEQWKXKVJP-SDDRHHMPSA-N 316.317 -0.797 30 20 DBED C=CCNC(=O)CN[C@H]1C[C@H](NC(=O)c2cncc(OC)n2)C1 1752668456 CMIDJCLWFOKYMA-XYPYZODXSA-N 319.365 -0.362 30 20 DBED C=CCNC(=O)[C@@H](C)N(C)CCNC(=O)[C@@H]1CC(=O)N(C)C1 1753051009 VHFTTZOKABPLLE-VXGBXAGGSA-N 310.398 -0.797 30 20 DBED C=CCNC(=O)CN1CCC[C@H]1CNC(=O)c1[nH]c(O)nc1C 1753104645 VLTCKOLYIGSMKI-NSHDSACASA-N 321.381 -0.080 30 20 DBED C=CCNC(=O)[C@H](C)N1CCC[C@@H]1CNC(=O)c1[nH]nnc1C 1753109006 QUCYWWZAVSTMEI-NWDGAFQWSA-N 320.397 -0.002 30 20 DBED C#CCNCC1(NC(=O)c2cn(C)c(=O)nc2O)CCCC1 1753511391 FYTBBRFXFABVLN-UHFFFAOYSA-N 304.350 -0.249 30 20 DBED CC1(C)CC(C(=O)NC[C@H]2CN(CC(=O)NCC#N)CCO2)C1 1753649935 JVQFASAEEFCRFM-ZDUSSCGKSA-N 322.409 -0.121 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@@H](C)N(C)C(=O)c1ccc(C)nn1 1753690216 UNROPCOCVUCOGT-CHWSQXEVSA-N 317.393 -0.027 30 20 DBED N#CCNC(=O)CNC[C@H](NC(=O)c1ccncc1)C1CC1 1754433086 YSYUIVWDHFDJNV-ZDUSSCGKSA-N 301.350 -0.181 30 20 DBED C[C@@]1(NC(=O)c2ncccn2)CCN(CC(=O)NCC#N)C1 1754681282 DKWXIUMEVPRWTJ-CQSZACIVSA-N 302.338 -0.689 30 20 DBED COC[C@@H](C)C(=O)N1CC[C@](C)(CNCC(=O)NCC#N)C1 1754689962 IOGORQCZVKBHEJ-IUODEOHRSA-N 310.398 -0.263 30 20 DBED CC#CCN1CC[C@@](O)(CNC(=O)CCc2nccn2C)C1 1754755986 DVEUMRXMYSVPJY-MRXNPFEDSA-N 304.394 -0.071 30 20 DBED C#CCCN1CCOC[C@H]1CNC(=O)[C@]1(C)CCNC(=O)C1 1754968277 ACPQCDPFGOUNHW-CZUORRHYSA-N 307.394 -0.257 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)CCCN(C)C(=O)[C@H]1CCNC1=O 1755041913 ZOSSKLBOJDZJGI-OLZOCXBDSA-N 322.409 -0.959 30 20 DBED N#CCN[C@]1(CO)CCCN(C(=O)c2ccc(C(N)=O)nc2)C1 1755092616 OEWFZGUSMNQIBZ-OAHLLOKOSA-N 317.349 -0.739 30 20 DBED C[C@@H]1C[C@@H](NC(=O)CCCC(N)=O)CCN1CC(=O)NCC#N 1755166534 YOWYGURGPBMJTF-NEPJUHHUSA-N 323.397 -0.749 30 20 DBED C#CCNC(=O)CN[C@@H](C)[C@@H](C)NC(=O)c1c[nH]nc1CC 1755242051 KPYXQTMTWFJRQV-WDEREUQCSA-N 305.382 -0.182 30 20 DBED C#CCN1C[C@@H](NC(=O)CN(C)S(C)(=O)=O)C(C)(C)C1 1755411508 DKEDQKHZYNPQOR-LLVKDONJSA-N 301.412 -0.662 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)N(C)C[C@@H](C)NCCO 1755617947 GEOCIJBYQOPLOB-LLVKDONJSA-N 300.403 -0.321 30 20 DBED C=C(C)CCN[C@H]1C[C@@H](C)N(C(=O)c2cn(CC(N)=O)nn2)C1 1755691739 AXNHMXMXTOKIHP-NEPJUHHUSA-N 320.397 -0.078 30 20 DBED N#CCNC(=O)CNC[C@H]1CC[C@H](NC(=O)Cn2cccn2)C1 1755727988 BLHNYRAJTSVCOJ-STQMWFEESA-N 318.381 -0.603 30 20 DBED C#CCNC(=O)CN(C)C[C@H](O)CN(C)C(=O)[C@H](C)C1CCC1 1755802164 QMIAYTMOIASAHQ-HIFRSBDPSA-N 323.437 -0.077 30 20 DBED C=C[C@](C)(O)CC(=O)N(C)[C@H](C)CNC(=O)CCn1ccnn1 1756020292 JCRMEKDGBYIWBL-DOMZBBRYSA-N 323.397 -0.042 30 20 DBED C=CCCC(=O)N[C@@H](C)C1CN(C(=O)C2CC(=O)NC(=O)C2)C1 1756130336 OBADXQHQXGNEQU-JTQLQIEISA-N 321.377 -0.032 30 20 DBED C[C@@H](NC(=O)C#CC1CC1)C1CN(C(=O)Cn2nccn2)C1 1756151177 XKKGKLQGDSAVGX-LLVKDONJSA-N 301.350 -0.345 30 20 DBED CC(C)C#CC(=O)NC[C@H](O)CN(C)C(=O)CC1(O)CCC1 1756661727 DEEDZGBULGTWJV-ZDUSSCGKSA-N 310.394 -0.114 30 20 DBED C=CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cncn1 1795855327 CULVKSTXOHSMMU-JJLQDPRZSA-N 319.365 -0.556 30 20 DBED C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1CCNC1=N)C2 1801597587 LEVAFUJIQOTOKF-ZSBIGDGJSA-N 303.366 -0.902 30 20 DBED CCNC(=O)CN1CCN(CC(=O)N[C@@](C)(C#N)C2CC2)CC1 74160817 WXLKBYDHYOEWIU-INIZCTEOSA-N 321.425 -0.451 30 20 DBED COC[C@H]1CN(/C(=N/C(C)C)NCC(=O)N(C)C)CCO1 185528258 ZZNXBXIIUJKIGI-GFCCVEGCSA-N 300.403 -0.224 30 20 DBED C/N=C(/NCCn1cncn1)N1CCN(C[C@H]2CCOC2)CC1 261763199 OLNUBICLAVCHCC-CQSZACIVSA-N 321.429 -0.492 30 20 DBED N#Cc1ccc(S(=O)(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)cn1 268343062 LPDRWJURKFYOAW-GXSJLCMTSA-N 310.335 -0.736 30 20 DBED C#CCCN1CCN(c2nc3c(c(=O)nc(O)n3C)n2C)CC1 271623152 MOJTVEVJVPSEJX-UHFFFAOYSA-N 316.365 -0.482 30 20 DBED COCCn1ccc(N/C(O)=N/[C@]2(C)CCS(=O)(=O)C2)n1 331019369 IWQKHBIQQWECNG-GFCCVEGCSA-N 316.383 0.433 30 20 DBED CCS(=O)(=O)C[C@@H](C)NS(=O)(=O)N(C)[C@H](C)CC#N 332427481 ALBFOFHQZZOPHS-NXEZZACHSA-N 311.429 -0.122 30 20 DBED C=C(C)[C@H]1OCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)NC 333010301 RQRFQAVTOJKVEK-MBNYWOFBSA-N 323.393 -0.179 30 20 DBED COC(=O)[C@H]1CN(S(=O)(=O)N(C)CCC#N)C[C@@H](C)O1 337959431 ICJHQGOCUXGQRL-NXEZZACHSA-N 305.356 -0.661 30 20 DBED COC(=O)CN(CC#N)C(=O)Cn1nnc(-c2ccccc2)n1 348806791 XTTUXKBJJVAIBO-UHFFFAOYSA-N 314.305 -0.135 30 20 DBED C=C[C@H](CO)NS(=O)(=O)c1cnc2nc(O)nc(O)c2c1 349774395 HTZXGJFWJFMNEB-ZCFIWIBFSA-N 312.307 -0.739 30 20 DBED CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)N(C)CCC#N 355224905 DTMINOYKQVDOFU-SNVBAGLBSA-N 309.413 -0.414 30 20 DBED Cc1cc(C(F)(F)F)nn1CC(=O)NCC(=O)NCC#N 356488439 WMUQDJBSGVDDEL-UHFFFAOYSA-N 303.244 -0.034 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H]2CC[C@H](O)C2)C1=O 356631870 ZVGZQWLIWWUTAT-ZJUUUORDSA-N 309.322 -0.760 30 20 DBED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)NCCO)n1 358923649 KJJUOCIUFBYFFP-UHFFFAOYSA-N 317.280 -0.070 30 20 DBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CS(C)(=O)=O 362640583 GNQIELYVGSCOKB-SNVBAGLBSA-N 323.378 -0.570 30 20 DBED Cc1nccnc1N1CCN(C(=O)NCC(=O)NCC#N)CC1 377019965 NTPCSUDIGVHTEH-UHFFFAOYSA-N 317.353 -0.744 30 20 DBED CCN(C[C@H](C)C#N)C(=O)CNS(=O)(=O)CCCOC 431921049 AULCQMBLWWUVPQ-LLVKDONJSA-N 305.400 -0.050 30 20 DBED Cc1c(C#N)cccc1NC(=O)C(=O)NCCOCC(N)=O 441904249 WXFCDYBKGTWMSH-UHFFFAOYSA-N 304.306 -0.577 30 20 DBED C=CCOC[C@H](NC(=O)C(C)(C)NC(=O)OC)C(=O)OC 496003424 BRCQDXIQBOYVDX-VIFPVBQESA-N 302.327 -0.019 30 20 DBED CCC[C@@H](C#N)NC(=O)Cn1ccc2c(=O)n(C)c(=O)n(C)c21 524718897 UFLOPMHOAUQLIB-JTQLQIEISA-N 317.349 -0.153 30 20 DBED C=CCNC(=O)CNc1cccc([N+](=O)[O-])c1S(N)(=O)=O 537410546 JPJGUQIMFOKISE-UHFFFAOYSA-N 314.323 -0.044 30 20 DBED COCCN1CC[C@@H](NC(=O)C(=O)Nc2cccc(C#N)n2)C1 564948113 VDZLWIQVXRWHLO-GFCCVEGCSA-N 317.349 -0.271 30 20 DBED N#CCC(=O)N1CCN(S(=O)(=O)NC2CCCC2)CC1 566479195 YCURJBVTFRSBCZ-UHFFFAOYSA-N 300.384 -0.179 30 20 DBED C=CCN1CC[C@H](N(C)c2nc(N)nc3c2cnn3C)C1=O 570865374 AHWTXYKIEPJWFL-JTQLQIEISA-N 301.354 0.169 30 20 DBED N#Cc1ccc(S(=O)(=O)NCC(=O)NC2CCNCC2)cc1 571445966 QAKROHVUCGIOSE-UHFFFAOYSA-N 322.390 -0.295 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)NCCN1CCCC1=O 572293689 IJHYDHKYKYANDZ-LLVKDONJSA-N 302.400 -0.075 30 20 DBED COC(=O)CNC(=O)CN1CCN(c2cnccc2C#N)CC1 572937933 CMZZUSXOOAWHOT-UHFFFAOYSA-N 317.349 -0.636 30 20 DBED CN(C)C[C@H](O)CNCCS(=O)(=O)c1ccc(C#N)cc1 578013399 PBROFKJWEHVRQW-CYBMUJFWSA-N 311.407 -0.156 30 20 DBED CS(=O)(=O)N1CCN(CCNC[C@H](C#N)CCC#N)CC1 591729175 GSSMMMGIUAKRRW-ZDUSSCGKSA-N 313.427 -0.403 30 20 DBED Cc1cc(NC(=O)NCCN2CC[C@@H](O)C2)nn1CCC#N 599764834 KJBLYUVCCLCALH-GFCCVEGCSA-N 306.370 0.293 30 20 DBED CC(C)N(CCN(C)C)C(=O)C(=O)N1CCN(CCC#N)CC1 601474206 OVMGEXORPAVXMU-UHFFFAOYSA-N 323.441 -0.157 30 20 DBED COC1CCN(S(=O)(=O)N2CCN(CCC#N)CC2)CC1 601534719 DQMOFDQRIWWIAC-UHFFFAOYSA-N 316.427 -0.127 30 20 DBED CN(C(=O)[C@H]1CSCN1C(=O)Cn1cnc(C#N)n1)C1CC1 610883036 QKDGQIHRPFDQJG-SNVBAGLBSA-N 320.378 -0.328 30 20 DBED C[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N1CC[C@@](F)(C#N)C1 615645362 NPYLPUIMAWJLAO-JFGNBEQYSA-N 303.359 -0.384 30 20 DBED C=CCC1(NC(=O)CN2C(=O)C(=O)N(C)C2=O)CCOCC1 618247775 JUNZDMFXKSJJOZ-UHFFFAOYSA-N 309.322 -0.352 30 20 DBED COC(=O)[C@](C)(O)CNC(=O)C#Cc1ccc2c(c1)OCO2 763235357 VLUZXQCKRJIHJW-OAHLLOKOSA-N 305.286 -0.193 30 20 DBED CC(C)(C#N)CS(=O)(=O)NC(=O)[C@@H]1CC(=O)N(C2CC2)C1 776144732 UGMYHXBNNJCERV-SECBINFHSA-N 313.379 -0.007 30 20 DBED C#CCC[C@H](O)CNC(=O)NC[C@@H]1COC2(CCOCC2)O1 798449999 AIRWMPUFTLPXJM-QWHCGFSZSA-N 312.366 -0.018 30 20 DBED C[C@H](C#N)OCCN1CCN(C(=O)CN2C(=O)CCC2=O)CC1 801918478 OQDDBCBTRPHRKO-GFCCVEGCSA-N 322.365 -0.792 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@@H]1CCN(C(=O)CC)C1)[C@@H]1CCCO1 807840884 MUMALKPTRTXLAA-AGIUHOORSA-N 321.377 -0.590 30 20 DBED Cn1c(COC(=O)c2cccc(C#N)n2)cc(=O)n(C)c1=O 811251653 KUSXHWDNIACANS-UHFFFAOYSA-N 300.274 -0.292 30 20 DBED C=C[C@H](O)C(=O)O[C@@H](C)C(=O)N(CC)[C@H]1CCS(=O)(=O)C1 814546039 TWTDKXJXOGDNFX-DCAQKATOSA-N 319.379 -0.499 30 20 DBED CNS(=O)(=O)c1cc(C(=O)N[C@@H]2CCCN(O)C2=O)co1 816758404 OTQYDLSHCONYQQ-MRVPVSSYSA-N 317.323 -0.702 30 20 DBED N#CCNC(=O)COC(=O)[C@H](O)c1ccc(-c2nn[nH]n2)cc1 826381839 AZCFGIJSTUWDDQ-LLVKDONJSA-N 316.277 -0.917 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N1C[C@@H](C)[C@@H](C(=O)O)C1 833377773 BCBZEWHUIGQZKF-ZJUUUORDSA-N 304.368 -0.051 30 20 DBED N#CC1CCN(C(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)O)C2)CC1 852913849 HRKOOKRMMGEKJH-IAQYHMDHSA-N 321.333 -0.692 30 20 DBED CCc1nn(C)cc1/C=C/C(=O)c1c(O)n(C)c(=O)n(C)c1=O 876498235 SCHQBJAOZLDNPE-VOTSOKGWSA-N 318.333 -0.018 30 20 DBED C#CC1(O)CN(S(=O)(=O)c2[nH]cnc2Br)C1 908229181 AGZRGENPWGJGRC-UHFFFAOYSA-N 306.141 -0.459 30 20 DBED COCCn1c(=C(C#N)C#N)sc(=Cc2ccccn2)c1=O 916199746 ZHJYAYXXTJDZHT-UHFFFAOYSA-N 312.354 -0.022 30 20 DBED C#CCN1CC[C@H](NC(=O)c2nccnc2C(N)=O)C[C@H]1C 948018072 ZEYQNUYTENHUDH-MNOVXSKESA-N 301.350 -0.209 30 20 DBED C[C@H](C#N)C(=O)N1CCC(NC(=O)CN2CCCC2=O)CC1 948097224 YGSZVJFFSLWBOL-LLVKDONJSA-N 306.366 -0.124 30 20 DBED CN(C(=O)c1c[nH]c(C#N)c1)C1CN(C(=O)Cc2nc[nH]n2)C1 954108276 TUTKCGKUDLMOOO-UHFFFAOYSA-N 313.321 -0.470 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2c(C3CC3)cnn2C)C1 958122005 OFHWQFOIWRORMY-GXTWGEPZSA-N 302.378 -0.047 30 20 DBED C#CCCN1C[C@@H](O)[C@H](CNC(=O)c2ccc(C(N)=O)o2)C1 958240006 XCYUFSXFWDTVQR-GHMZBOCLSA-N 305.334 -0.576 30 20 DBED Cn1nnnc1CN1C[C@@H]2C(NC(=O)c3cc(C#N)c[nH]3)[C@H]2C1 958499229 BCGMCLZXKCOZOI-UWVGGRQHSA-N 312.337 -0.730 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cnsn1 960076763 FKWUQSWRPUIRAM-INTQDDNPSA-N 321.362 -0.250 30 20 DBED C=C(C)CCN1C[C@@H]2C(NC(=O)CN3CCNC(=O)C3)[C@H]2C1 961479189 LTPSLOSUQAPQSO-STQMWFEESA-N 306.410 -0.569 30 20 DBED C#CCCN1C[C@H]2[C@H](NC(=O)c3cc(=O)n4[nH]cnc4n3)[C@H]2C1 962277782 AVURVPCMRXUHMJ-IWIIMEHWSA-N 312.333 -0.899 30 20 DBED CC#CCN1CC[C@H](C)[C@H](NC(=O)CN2CCC(=O)NC2=O)C1 968518096 XSGCHJUWZFKJAU-QWHCGFSZSA-N 320.393 -0.222 30 20 DBED C=CCn1cc(C(=O)N2[C@H]3CC[C@H]2CN(C(=O)COC)C3)nn1 969047750 YPTQLDSLRCNFQU-RYUDHWBXSA-N 319.365 -0.074 30 20 DBED C[C@H](NC(=O)C1CC2(C1)CS(=O)(=O)C2)C1CN(CC#N)C1 969961651 NXUKLNBNXRXYLB-JTQLQIEISA-N 311.407 -0.229 30 20 DBED C=C(Cl)CN[C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1 970284997 HLJKAQGECYBZRU-SECBINFHSA-N 300.746 -0.519 30 20 DBED Cn1nnc(C(=O)NC[C@H]2CCCN(C(=O)C#CC3CC3)C2)n1 975458988 MNQWWRKAGLZIHJ-GFCCVEGCSA-N 316.365 -0.408 30 20 DBED C#CCN1C[C@@H](NC(=O)C2CC3(C2)NC(=O)NC3=O)C(C)(C)C1 977313246 XMNTVLIQCYGFHB-NOEPWBJOSA-N 318.377 -0.566 30 20 DBED Cc1nn(C)c(=O)c(C(=O)NCC2[C@H]3CN(CC#N)C[C@H]23)c1C 978570390 YMHVTNMXVHMOLG-CHWSQXEVSA-N 315.377 -0.172 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CCOC2)C1 990413341 FODVYGLDYMCIHC-OCCSQVGLSA-N 305.378 -0.553 30 20 DBED N#Cc1cc(C(=O)NC2CN(C(=O)c3cnsn3)C2)c[nH]1 990919988 JNSFKYDWSHOCQN-UHFFFAOYSA-N 302.319 -0.008 30 20 DBED Cc1nc[nH]c1C(=O)N[C@@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1O 991593979 QENNTQPKXQVQRP-OLZOCXBDSA-N 316.361 -0.177 30 20 DBED C=CCN1CC[C@@]2(NC(=O)[C@@H]3CC(=O)NC(=O)N3)CCC[C@@H]12 992260038 LDCDXQAKUHOTIO-RWSFTLGLSA-N 306.366 -0.116 30 20 DBED C[C@@]1(CC(=O)N2CCC[C@@H](NCC#N)C2)CCS(=O)(=O)N1 1000789034 KTJAQRXSOXXLCX-YPMHNXCESA-N 314.411 -0.438 30 20 DBED C[C@@H](NC(=O)c1cc(C#N)c[nH]1)C1CN(C(=O)CC(N)=O)C1 1005863016 QJMWJSWONQMUHS-MRVPVSSYSA-N 303.322 -0.662 30 20 DBED CC1(C)CN(C(=O)C(N)=O)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 1008059501 LQBHHZGSFITQAG-SNVBAGLBSA-N 303.322 -0.662 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2C[C@@H](C)N(C(=O)C(N)=O)C2)cn1 1010279561 GTVIUYYJGFDLOZ-GHMZBOCLSA-N 314.345 -0.485 30 20 DBED C=C(C)CCN1CC[C@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 1016283546 LWDKAFJIQIPPDN-RYUDHWBXSA-N 301.412 -0.165 30 20 DBED N#Cc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)C3CCC3)C2)c[nH]1 1022870613 ILSCHLRCVYDHIK-CHWSQXEVSA-N 302.334 -0.012 30 20 DBED C=CCn1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)C3CCC3)C2)nn1 1022876606 VHCHMAFAQLCPMQ-DGCLKSJQSA-N 319.365 -0.434 30 20 DBED C=C(C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnnn2C)C1 1023561186 YEGPIBNPONKOIX-ZYHUDNBSSA-N 321.381 -0.281 30 20 DBED N#Cc1ccc(C(=O)N2C[C@@H]3[C@@H](CC[C@H]3NCC(N)=O)C2)[nH]1 1026243042 VLKNUIDTIQPECI-MVWJERBFSA-N 301.350 -0.188 30 20 DBED CO[C@H]1C[C@H](C(=O)NC[C@H]2CCCN2CC#N)N(C(C)=O)C1 1028051697 SMOBILLJNFJMTM-HZSPNIEDSA-N 308.382 -0.274 30 20 DBED C#CCN1CC[C@@H](CNC(=O)[C@H]2CCc3nnc(O)n3C2)C1 1028640046 IGDIUAOVLWAVQW-RYUDHWBXSA-N 303.366 -0.383 30 20 DBED C#CCN1CC[C@H](N(C)C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 1033078012 WASPNCIZUGWMNB-OLZOCXBDSA-N 315.377 -0.072 30 20 DBED C=CCN1CC[C@@H]2CN(C(=O)c3cn(CC(N)=O)nn3)CC[C@@H]21 1036904378 RCKBBSTZVGVNRJ-YPMHNXCESA-N 318.381 -0.514 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCN1Cc1ncnn1C 1038368572 QOHLOHOFOUNAHV-KGLIPLIRSA-N 316.409 -0.397 30 20 DBED CC(C)C#CC(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2CCN(C)C2)C1 1039668600 ZRSKYGOXXBLEIG-RHSMWYFYSA-N 321.421 -0.323 30 20 DBED C=C(Cl)C(C)(C)C(=O)NC[C@]1(O)CCN(C(=O)C(N)=O)C1 1039823455 QIRHTMDPFNLPEW-CYBMUJFWSA-N 317.773 -0.670 30 20 DBED N#Cc1ccc(NC[C@@H]2C[C@H]3CC[C@H]2N(C(=O)C(N)=O)C3)nn1 1040020156 CTBGLSZMJZAMRT-JFGNBEQYSA-N 314.349 -0.127 30 20 DBED C[C@H]1[C@@H](Nc2cnc(C#N)cn2)CCN1C(=O)CS(C)(=O)=O 1040052842 XPGOYCKREWCEAM-ONGXEEELSA-N 323.378 -0.206 30 20 DBED CC#CCCCC(=O)NC[C@@]1(O)CCN(C(=O)CC(N)=O)C1 1040608553 DNFXLSVNRYSQGE-HNNXBMFYSA-N 309.366 -0.865 30 20 DBED C[C@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)c2cccnc2)C1 1040763019 MZGYTMGGCADYRI-ABAIWWIYSA-N 302.334 -0.066 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)[C@H]2CC(=O)N[C@H](C)C2)C1 1041963021 FAYNHZOIZLQYQH-VXGBXAGGSA-N 323.393 -0.443 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2nc(C)c[nH]2)C1 1043224377 QOXKTIAYUVBPKV-NSHDSACASA-N 320.349 -0.940 30 20 DBED C[C@@H]1CN(C(=O)[C@H]2CCNC2=O)C[C@H]1Nc1nccnc1C#N 1043431880 JRAZXSYGWJKVDM-JFGNBEQYSA-N 314.349 -0.257 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)c2cc(F)c[nH]2)C1 1043929950 RKANXLDMVQWYIY-UHFFFAOYSA-N 323.324 -0.503 30 20 DBED Cc1ccc(CC(=O)N2CC(O)(CNC(=O)[C@H](C)C#N)C2)o1 1045541418 WGXLHDAVRMEEPA-SNVBAGLBSA-N 305.334 -0.020 30 20 DBED N#CCN1CCC2(CC1)CO[C@@H](CNC(=O)[C@@H]1CCC(=O)N1)C2 1045685275 VEALDFJDYYRYIZ-OLZOCXBDSA-N 320.393 -0.224 30 20 DBED Cn1nnc(C(=O)NC[C@H]2C[C@@H](Nc3cnc(C#N)cn3)C2)n1 1046535037 YBARKBVIHZUTLX-DTORHVGOSA-N 313.325 -0.508 30 20 DBED C=CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2cncc(C(N)=O)c2)C1 1047632023 WAHHZVZAIRMDAX-KBPBESRZSA-N 318.377 -0.126 30 20 DBED C=CCO[C@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)OC)C1 1048424513 FVMWVBIFHUYUOD-NDBYEHHHSA-N 314.382 -0.358 30 20 DBED C#CCCN1C[C@H]2CN(C(=O)Cn3nc(C)n(C)c3=O)C[C@H]2C1 1049198065 ZOLIIFWDQIETMJ-OKILXGFUSA-N 317.393 -0.696 30 20 DBED Cc1ccnc(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)C#N)C2)n1 1049395770 YENFSVWDEBDOEQ-DLOVCJGASA-N 317.349 -0.412 30 20 DBED C=CCN1CCOC[C@@H]1CNC(=O)[C@H]1CCS(=O)(=O)C1 1051009247 DIUOVMHXYGZHTM-RYUDHWBXSA-N 302.396 -0.576 30 20 DBED C=CCCOCC(=O)N1CC[C@@H]([C@@H](C)NC(=O)CC(N)=O)C1 1051017884 NTZOWEICBVUSBC-VXGBXAGGSA-N 311.382 -0.192 30 20 DBED C#CCN1CC2(C1)CN(C(=O)Cc1cn(C)nc1C)CCO2 1053288743 PEELZSQPXODWQU-UHFFFAOYSA-N 302.378 -0.183 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)C[C@H]3CCCC(=O)N3)CO2)C1 1053866204 VEQCXIIMVGCNRE-NEPJUHHUSA-N 306.366 -0.472 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2coc(S(N)(=O)=O)c2)C[C@H]1C 1054817115 YFYFMPHXAFEQOU-MWLCHTKSSA-N 311.363 -0.390 30 20 DBED N#Cc1cccnc1N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cn1ncnn1 1055108446 BXSHDVOAPLSYQF-AGIUHOORSA-N 324.348 -0.134 30 20 DBED N#Cc1nccnc1N1CCN(C(=O)CCc2nc[nH]n2)CC1 1055763679 JLXQFWZYBGUPDM-UHFFFAOYSA-N 312.337 -0.252 30 20 DBED C=CCCC(=O)N[C@@]1(CO)CCCN(C(=O)[C@H]2CNC(=O)N2)C1 1055824442 UKQABQYZLXUDFO-ABAIWWIYSA-N 324.381 -0.896 30 20 DBED N#Cc1ccc(N2C[C@H]3[C@H](NC(=O)c4nccnc4N)[C@H]3C2)nn1 1056154031 WADOVVNXUUUNHR-IAZYJMLFSA-N 322.332 -0.415 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)CCc1cnn[nH]1 1057172657 MLQTZIHNABUKJL-UHFFFAOYSA-N 309.370 -0.359 30 20 DBED C#CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)[C@H](C)OCC 1057582823 AAYKTRBYXGIOMM-STQMWFEESA-N 314.382 -0.613 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)[C@H]1C[C@@H]1C(F)F 1058653277 QZBZOZIXCDXTNE-UTLUCORTSA-N 303.309 -0.016 30 20 DBED Cc1[nH]nc(C(=O)N2CC[C@H](N=c3cc[nH]c(C#N)n3)C2)c1O 1058878265 ZYANJUHZNSIVHP-VIFPVBQESA-N 313.321 -0.166 30 20 DBED C[C@@H]1CC[C@H](C(=O)N(CCO)CCNC(=O)C#CC2CC2)O1 1058913777 LLDWMCCRBCSJPH-TZMCWYRMSA-N 308.378 -0.096 30 20 DBED N#Cc1nc(=N[C@H]2C[C@H](NC(=O)c3nccnc3N)C2)cc[nH]1 1059174725 KTAKAWFMTFQDBM-KYZUINATSA-N 310.321 -0.485 30 20 DBED N#Cc1cc(C(=O)N2CC[C@H](CCNC(=O)CC(N)=O)C2)c[nH]1 1059502301 ODMMRZRLOATQTC-JTQLQIEISA-N 317.349 -0.270 30 20 DBED NC(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@@H](CCNC(=O)C#CC2CC2)C1 1060411552 XDESNDHUDKPLBQ-MCIONIFRSA-N 317.389 -0.124 30 20 DBED C=CCOCC(=O)N1CCOC[C@@H]1CNC(=O)c1cc[nH]n1 1061328768 MZMLFJUSFFPDGR-NSHDSACASA-N 308.338 -0.431 30 20 DBED N#Cc1nccnc1N1CCC[C@H]1CNC(=O)[C@@H]1CCC(=O)N1 1061379063 FDOJDWNEBGVUKJ-QWRGUYRKSA-N 314.349 -0.288 30 20 DBED N#Cc1cc(C(=O)N2CCCC[C@@H]2CNC(=O)C(N)=O)c[nH]1 1062139585 MCTWMTNLHQIUMX-LLVKDONJSA-N 303.322 -0.517 30 20 DBED CN(C(=O)c1cnn(C)n1)[C@@H]1CCN(c2ccnc(C#N)n2)C1 1062953458 BQWMDIYEEHVETC-SNVBAGLBSA-N 312.337 -0.172 30 20 DBED N#Cc1nc(=NC[C@H]2CCCN2C(=O)[C@@H]2CCC(=O)N2)cc[nH]1 1063504560 RAJINPSDASGQRV-MNOVXSKESA-N 314.349 -0.548 30 20 DBED Cc1c(C(=O)N[C@@H]2[C@H]3C[C@H]2N(c2cncc(C#N)n2)C3)nnn1C 1064229114 DQFHEURINZMCFA-DRCTWCGVSA-N 324.348 -0.208 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)CN2CCOCC2=O)CCC1 1064310292 IOSCQBGIPCIZHS-LLVKDONJSA-N 322.365 -0.840 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(C(=O)[C@@H]2COCCO2)CCO1 1064881341 SEEFBBSWDZVPIZ-KGLIPLIRSA-N 322.361 -0.841 30 20 DBED N#CCSCC(=O)N1CCO[C@H](CNC(=O)c2cn[nH]c2)C1 1064881362 SOUCPOTUTULHGY-LLVKDONJSA-N 323.378 -0.376 30 20 DBED C=CCOCC(=O)N1CCO[C@@H](CNC(=O)[C@@H](C)OC)C1 1064977358 UZBQFOUJDSDFFR-NEPJUHHUSA-N 300.355 -0.433 30 20 DBED Cn1cc(C(=O)N[C@@]2(C)CCN(c3cncc(C#N)n3)C2)nn1 1065246469 DDSFBJDSNHQHEC-AWEZNQCLSA-N 312.337 -0.124 30 20 DBED Cn1ncc(C(=O)N2C[C@@H]3CN(c4nccnc4C#N)C[C@@H]3C2)n1 1066013218 JDPWLMNCVGBILJ-PHIMTYICSA-N 324.348 -0.315 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CCCN(C(=O)C2(NC(N)=O)CC2)CC1 1066475592 QLJPARXHQRYNLT-QWRGUYRKSA-N 321.381 -0.156 30 20 DBED C[C@H]1CN(C(=O)CS(C)(=O)=O)C[C@@H]1N=c1cc[nH]cc1C#N 1067049961 VKKLHGNKEKSZOV-GWCFXTLKSA-N 322.390 -0.321 30 20 DBED C[C@@H]1CN(C(=O)Cn2nccn2)C[C@@H]1Nc1cncc(C#N)n1 1067152838 DARPKBQSIOQJTN-PWSUYJOCSA-N 312.337 -0.101 30 20 DBED N#Cc1nccnc1NCC1CC(NC(=O)[C@@H]2CNC(=O)N2)C1 1067883360 MKLCPTXRLBNBAZ-AMUVOQDHSA-N 315.337 -0.664 30 20 DBED Cn1cc(C(=O)NCC2[C@H]3CN(c4nccnc4C#N)C[C@H]23)nn1 1068169461 NHPFDFWTBPAXFS-GHMZBOCLSA-N 324.348 -0.411 30 20 DBED C[C@H](C#N)C(=O)N1CC2(C[C@H](NC(=O)CSCC#N)CO2)C1 1068710688 ITSHTGULABOHTM-MNOVXSKESA-N 322.390 -0.111 30 20 DBED CCN(C)CCC(=O)N[C@@H]1COC2(C1)CN(C(=O)[C@H](C)C#N)C2 1069035792 OHIQAGHSWSJWCT-OLZOCXBDSA-N 322.409 -0.026 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H](C)n2cccn2)C1 1069898625 SLWQUJQYEFUSBT-MCIONIFRSA-N 313.365 -0.290 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2ncccc2O)C1 1069914147 VARKXQXALGVDLQ-NEPJUHHUSA-N 312.333 -0.333 30 20 DBED C=CCN1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)C(N)=O)n1 1070598205 RZTMRTGOVFGSHU-QWRGUYRKSA-N 307.354 -0.418 30 20 DBED C#CCOCCC(=O)N1CCC[C@@H](NC(=O)[C@H]2COC(=O)N2)C1 1070728116 HKUONTKPDXQUTI-VXGBXAGGSA-N 323.349 -0.758 30 20 DBED C=CCN1C[C@H]2C[C@@H]3CN(C(=O)c4cnn(C)n4)C[C@@]3(C1)O2 1070867112 GDVMXDZFQFUIAY-LALPHHSUSA-N 303.366 -0.084 30 20 DBED C#CCCN1C[C@H]2C[C@H]3CN(C(=O)Cc4nc[nH]n4)C[C@@]3(C1)O2 1070877414 KKLFRHVEOQAMJF-WOSRLPQWSA-N 315.377 -0.328 30 20 DBED C#CCCCC(=O)N1C[C@H](C)[C@H](NC(=O)Cn2cnnc2O)C1 1071997700 AACHEWSQNZSNPL-NWDGAFQWSA-N 319.365 -0.250 30 20 DBED CC#CCN1C[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)CC[C@@H]1C 1072033604 OFZNCPBTBZVXSP-JSGCOSHPSA-N 319.409 -0.117 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)c2cc3n(n2)CCO3)C1 1073636750 GIEPGLWGPXGXAY-LBPRGKRZSA-N 304.350 -0.271 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CCN(C(=O)CNC(N)=O)[C@@H](C)C1 1074972541 GUICKYBWXUWSIK-NWDGAFQWSA-N 308.382 -0.190 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)[C@@H]1CCCCO1 1076162228 SDQVXVHDDGWXMZ-STQMWFEESA-N 323.393 -0.294 30 20 DBED C[C@@H](CCNC(=O)c1c[nH]c(C#N)c1)NC(=O)C1(C(N)=O)CC1 1076216997 YJWATXONBUPSBR-VIFPVBQESA-N 317.349 -0.224 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)c2cn([C@@H]3CCOC3)nn2)C1 1077963958 NLRFACVQJTXHIJ-YRGRVCCFSA-N 321.381 -0.410 30 20 DBED C[C@@H](CCNC(=O)COCc1nncn1C)NC(=O)[C@@H](C)C#N 1078159853 XHCLJNYOLLOHOX-QWRGUYRKSA-N 322.369 -0.498 30 20 DBED C#CCOCCC(=O)N1C[C@H](CNC(=O)CC2CC2)[C@@H](O)C1 1081171675 FKWCQSABGJJDPT-KBPBESRZSA-N 308.378 -0.238 30 20 DBED C=CCCC(=O)N1C[C@H](CNC(=O)CN(C)C(C)=O)[C@@H](O)C1 1081289885 QHFRDPAYECZTRE-STQMWFEESA-N 311.382 -0.634 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(C(=O)c2csnn2)C[C@H]1O 1081473138 DGFCWUGBKTXEKF-CMPLNLGQSA-N 320.374 -0.499 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](O)[C@H](CNC(=O)CCCN(C)C)C1 1081701092 PVQZIOQOCCQQFP-HUUCEWRRSA-N 323.437 -0.077 30 20 DBED CC#CCN1C[C@@H](NC(=O)C[C@H]2CCN(C)C2=O)[C@H](OC)C1 1081831709 QUZKBGRJLYIFNM-MGPQQGTHSA-N 307.394 -0.307 30 20 DBED COc1cc(C(=O)N[C@@H]2CN(CC#N)C[C@@H]2O)cc(OC)n1 1083605624 GMOMNTASMIJXJA-MNOVXSKESA-N 306.322 -0.603 30 20 DBED CC#CCN1CC[C@@H]2CN(C(=O)CN3CCC(=O)NC3=O)[C@@H]2C1 1084760090 RIHHGIQQLIZZPB-CHWSQXEVSA-N 318.377 -0.516 30 20 DBED C=C(C)CCN1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)[C@H]1C 1089059174 CCKRTFSVKAPZIV-NEPJUHHUSA-N 320.397 -0.078 30 20 DBED CC(=O)N(C)CC(=O)N[C@@H](C)C[C@H](C)N=c1cc[nH]c(C#N)n1 1089249970 XYJJJTLUTVVTFJ-QWRGUYRKSA-N 318.381 -0.056 30 20 DBED Cc1ccc(C#N)c(N2CCCO[C@H](CNC(=O)C(N)=O)C2)n1 1089555633 VQMCQZHBVJXCCT-GFCCVEGCSA-N 317.349 -0.542 30 20 DBED Cc1cc(C#N)nc(N2C[C@@H](O)[C@H](NC(=O)CCN(C)C)C2)n1 1090524991 IFXBTBZSFSKLRX-CHWSQXEVSA-N 318.381 -0.726 30 20 DBED COC[C@@H](OC)C(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@H]1O 1090527626 APEXDTFNZUYWEQ-MRVWCRGKSA-N 320.349 -0.720 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2cnn(CCOC)c2)[C@H](O)C1 1090768022 PMYDDDKFDACIJP-HUUCEWRRSA-N 320.393 -0.282 30 20 DBED CC(=O)N(C)CC(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@@H]1O 1091075268 ZUJDJTIWKSRBNN-OLZOCXBDSA-N 317.349 -0.903 30 20 DBED COCCCC(=O)N[C@H]1CCN(c2nccnc2C#N)C[C@@H]1O 1092137361 LSZANMUPWKVSFJ-AAEUAGOBSA-N 319.365 -0.169 30 20 DBED C[C@H](NC(N)=O)C(=O)N1CCN(c2ncc(C#N)cc2F)CC1 1093145687 YIUOGGYYMKGXSN-VIFPVBQESA-N 320.328 -0.202 30 20 DBED CC#CCN1C[C@@H](C)[C@H](CNC(=O)c2nccnc2C(N)=O)C1 1093184762 WIHVHCFTSQXRJK-VXGBXAGGSA-N 315.377 -0.104 30 20 DBED C#CCCN1CC(OC2CCN(C(=O)C3(C(N)=O)CC3)CC2)C1 1093567342 KXRCHBDZGWFBMG-UHFFFAOYSA-N 319.405 -0.033 30 20 DBED Cc1cc(C#N)nc(NCCNC(=O)[C@@H]2CCCN2C(N)=O)n1 1093707630 AJHVJFWPVOALDJ-NSHDSACASA-N 317.353 -0.272 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)[C@@H](C)n3cccn3)CC2=O)C1 1094706010 UDJXKZNNGYLNNW-CHWSQXEVSA-N 315.377 -0.521 30 20 DBED C=C(C)CN1CC(N2C[C@@H](NC(=O)[C@H]3CCNC3=O)CC2=O)C1 1094768129 POQRYAZMCFTDQA-AAEUAGOBSA-N 320.393 -0.900 30 20 DBED N#Cc1cncc(NCCCNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)n1 1094781134 RKAQPOWFUCEHHC-WDEREUQCSA-N 318.337 -0.701 30 20 DBED N#CCN1CC(N2C[C@H](NC(=O)C34CCN(CC3)C4)CC2=O)C1 1094806253 KPRMHUHBJTVPHG-GFCCVEGCSA-N 317.393 -0.993 30 20 DBED CC(=O)NCC(=O)NCCCCCCN=c1cc[nH]c(C#N)n1 1094915037 FODBIAKHYLVOCN-UHFFFAOYSA-N 318.381 -0.005 30 20 DBED C=CCOCC(=O)N1CC[C@@H](N(C)c2nccn3nnnc23)C1 1095097871 RURNEOMMFWZBFX-LLVKDONJSA-N 317.353 -0.241 30 20 DBED CC(=O)NCC(=O)N1CCC(Nc2nccnc2C#N)CC1 1095212632 WUYVDTOLCBEOIX-UHFFFAOYSA-N 302.338 -0.113 30 20 DBED C[C@@H](CC(=O)N[C@@H]1CCN(c2ccc(C#N)nn2)C1)NC(N)=O 1096439961 PCJSDLLULLHKNJ-GXSJLCMTSA-N 317.353 -0.510 30 20 DBED C[C@H](CNC(=O)c1cn(C)c(=O)n1C)Nc1cncc(C#N)n1 1097895630 BASVKIKAFPHXEE-SECBINFHSA-N 315.337 -0.384 30 20 DBED C[C@@]1(C(=O)N2CCC(N(CC#N)CCO)CC2)CNC(=O)C1 1098436937 DUKGYPNLBLGJNY-HNNXBMFYSA-N 308.382 -0.679 30 20 DBED C#CCNCc1cn([C@@H]2CCN(C(=O)c3cnns3)C2)nn1 1098626334 OPMHBLQBXZOKKL-LLVKDONJSA-N 317.378 -0.060 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(CC(=O)NC2CC2)C[C@H]1O 1099740892 KRYRQAVSCTWSNS-QWHCGFSZSA-N 311.382 -0.981 30 20 DBED C#CCN1CC[C@H](NC(=O)CNC(=O)CCC(C)C)[C@@H](O)C1 1100036856 OILXZCAFGCFTIS-KBPBESRZSA-N 309.410 -0.277 30 20 DBED COCC#CCNC1CC(CNC(=O)C[C@H](C)NC(N)=O)C1 1100329480 FLIIPOYQUVOYJC-HIFPTAJRSA-N 310.398 -0.433 30 20 DBED COCC#CCNC1CC(CNC(=O)C(=O)N2CC[C@H](C)C2)C1 1100845907 BBWOCCCOAXTVPK-NFOMZHRRSA-N 321.421 -0.011 30 20 DBED CNC(=O)NCC(=O)NC[C@@H]1CCCN1c1ccc(C#N)nn1 1100914997 HNISRYUAIXHGGS-NSHDSACASA-N 317.353 -0.638 30 20 DBED COCCOCC(=O)NC[C@@H]1CCN(c2nccnc2C#N)C1 1100950389 SMCPQGCDWIPTSZ-LBPRGKRZSA-N 319.365 -0.046 30 20 DBED CC(C)C#CC(=O)N[C@H]1CC2(CN(CC(N)=O)C2)n2ccnc21 1101627587 IEOUTOQYXHAEGN-LBPRGKRZSA-N 315.377 -0.400 30 20 DBED Cc1cc(=NCCN(C)C(=O)C2CS(=O)(=O)C2)c(C#N)c[nH]1 1101794414 FNSULDJAUNWEGR-UHFFFAOYSA-N 322.390 -0.402 30 20 DBED CO[C@H](C)CC(=O)NC[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1101802611 CIXBBTDZUONNHM-JHJVBQTASA-N 310.398 -0.265 30 20 DBED CC(C)[C@@H](O)C(=O)NCC[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1102940935 RCWYZCSMEBEELS-UMVBOHGHSA-N 324.425 -0.283 30 20 DBED C[C@@H](CN=c1cc[nH]cc1C#N)N(C)C(=O)c1nnn(C)n1 1104763224 CQDFZZXZRNTHLV-VIFPVBQESA-N 300.326 -0.529 30 20 DBED CN(CCN(C)c1nccnc1C#N)C(=O)C1(C(N)=O)CC1 1105542894 AEUFGDDRPSRXDN-UHFFFAOYSA-N 302.338 -0.492 30 20 DBED N#Cc1c(F)cccc1NC[C@H](O)CNC(=O)CNC(N)=O 1105711168 WRFYBYPZVCCCOG-QMMMGPOBSA-N 309.301 -0.745 30 20 DBED C=CCOCC(=O)NC[C@@H](O)CNc1nc(C)cc(C#N)n1 1105748738 ZCWHOLACOIZIBW-GFCCVEGCSA-N 305.338 -0.252 30 20 DBED N#Cc1cccnc1NC[C@@H](O)CNC(=O)Cc1cc[nH]n1 1105758149 CAGYBTDXFQKCDI-LBPRGKRZSA-N 300.322 -0.192 30 20 DBED CO[C@H](C(=O)NC[C@H](O)CNc1nc(C)cc(C#N)n1)C1CC1 1105832674 FXVURUWLRDUYSR-STQMWFEESA-N 319.365 -0.029 30 20 DBED COC[C@@H](C)CC(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1 1105941160 RVEFXWZEOKFVCE-QWRGUYRKSA-N 307.354 -0.668 30 20 DBED C[C@H](CCNc1ccc(C#N)nn1)NC(=O)[C@H]1COC(=O)N1 1106313124 HUFDDDPGTAYLKP-PSASIEDQSA-N 304.310 -0.237 30 20 DBED N#Cc1cnc(NC/C=C/CNC(=O)Cn2cnnc2O)cn1 1107134146 SIMWICKVKNSLAT-OWOJBTEDSA-N 314.309 -0.570 30 20 DBED N#Cc1c[nH]ccc1=NC/C=C\CNC(=O)[C@@H]1COC(=O)N1 1107174795 AYXRKQLKQMLEGO-BIOMNHJASA-N 301.306 -0.432 30 20 DBED CN1C[C@H](C(=O)NC/C=C\CNc2nccnc2C#N)NC1=O 1107452154 UKJQZBAECNCSLQ-OTDNITJGSA-N 315.337 -0.544 30 20 DBED N#Cc1ccc(NC/C=C\CNC(=O)[C@@H]2CNC(=O)N2)nc1 1107493096 ZLNPUPOHWSBIAI-BVBSBALXSA-N 300.322 -0.281 30 20 DBED C[C@H](CNc1cncc(C#N)n1)NC(=O)CCn1ccnn1 1107695350 FBCXGZIFKMKBFJ-SNVBAGLBSA-N 300.326 -0.053 30 20 DBED Cn1cnc(C(=O)NC[C@@]2(C)CN(CC#N)CCO2)cc1=O 1108004640 ZLYDDOOIQIEPQH-AWEZNQCLSA-N 305.338 -0.875 30 20 DBED C[C@]1(CNC(=O)CCCF)CN(CC(=O)NCC#N)CCO1 1108125192 ZPMZYORMUIQGGZ-AWEZNQCLSA-N 314.361 -0.417 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)c2cc(C(N)=O)co2)C1 1108209044 IFSFEGVRDFGJEA-OAHLLOKOSA-N 305.334 -0.168 30 20 DBED COCC#CCN1CC(N2C[C@H](NC(=O)[C@@H](C)C#N)CC2=O)C1 1108527452 JHHUNYKTMYYKEZ-QWHCGFSZSA-N 318.377 -0.803 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)CC[C@H]3CCOC3)CC2=O)C1 1108533872 FCNAPLVSSRJWSP-KBPBESRZSA-N 319.405 -0.162 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)CC3(O)CCC3)CC2=O)C1 1108545054 NJBFNTKQFYRIDV-GFCCVEGCSA-N 305.378 -0.674 30 20 DBED CN(CCCNc1ccc(C#N)cn1)C(=O)Cn1cnnn1 1109362122 BHWFMDBWRBMNTR-UHFFFAOYSA-N 300.326 -0.100 30 20 DBED N#Cc1ccc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)CCn2cnnn2)nc1 1109719791 HFZYLNQKHOFOEJ-XUJVJEKNSA-N 324.348 -0.277 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1[nH]cnc1C 1110207448 ALJZOKXPMBQTRE-AGIUHOORSA-N 315.377 -0.197 30 20 DBED CC(=O)NCC(=O)N[C@]1(C)CCN(c2nccnc2C#N)C1 1110718546 JSDAINYQPJJSOX-CQSZACIVSA-N 302.338 -0.431 30 20 DBED Cc1cc(N2CC[C@@](O)(CNC(=O)CC(N)=O)C2)c(C#N)cn1 1111053833 MYLWRFUKSGWWAR-OAHLLOKOSA-N 317.349 -0.806 30 20 DBED N#Cc1cnc(NCCN(CCO)C(=O)[C@H]2CCCO2)cn1 1111412754 CNLMZXIIDDLLLP-GFCCVEGCSA-N 305.338 -0.240 30 20 DBED N#Cc1ccc(NCCN(CCO)C(=O)Cc2ncc[nH]2)nn1 1111498004 WYPFIKRUEYRRSP-UHFFFAOYSA-N 315.337 -0.453 30 20 DBED C#CCOCCC(=O)N(CCO)CCNc1cnc(F)cn1 1111510573 CIKSFJXOMAGEJF-UHFFFAOYSA-N 310.329 -0.112 30 20 DBED CC(=O)N1C[C@H](C)OC2(CCN(CC(=O)NCC#N)CC2)C1 1111532353 WFTGCJLMEXFLLZ-LBPRGKRZSA-N 308.382 -0.272 30 20 DBED CCOCC(=O)NC[C@@H]1COCCN1c1ccnc(C#N)n1 1111651001 JLESBTMBZPGWHQ-LLVKDONJSA-N 305.338 -0.294 30 20 DBED C[C@H]1CN(C(=O)CNC(N)=O)C[C@@H]1Nc1ccc(C#N)nn1 1112306496 HIEJQGPVOIOTRY-WPRPVWTQSA-N 303.326 -0.725 30 20 DBED C[C@@H]1CN(c2ccc(C#N)nn2)CC[C@H]1NC(=O)CC(N)=O 1112394425 AJZSNTWXOQWOBE-MWLCHTKSSA-N 302.338 -0.445 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)CCCC(=O)NC)CC1 1112773286 HLQRPUVHGVGREZ-CYBMUJFWSA-N 324.425 -0.262 30 20 DBED C[C@H](NC(=O)Cn1nccn1)[C@@H](C)N=c1cc[nH]c(C#N)n1 1113172387 CDKCDQBUEXAOER-ZJUUUORDSA-N 300.326 -0.633 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)c2ccnnc2)CC1 1113379136 IIBXOLKZCGJHSK-LBPRGKRZSA-N 303.366 -0.075 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN([C@H](C)C(=O)NC)CC1 1113410224 SFQLSDZTYRMIMD-OCCSQVGLSA-N 324.425 -0.264 30 20 DBED C[C@@H](CNC(=O)c1cc(=O)n(C)o1)N(C)c1nccnc1C#N 1113579231 IMTSKFMJLRPRHW-VIFPVBQESA-N 316.321 -0.105 30 20 DBED C[C@H](CCCNc1cncc(C#N)n1)NC(=O)Cn1cnnn1 1114839335 XSIMQGHVVACCPP-SNVBAGLBSA-N 315.341 -0.268 30 20 DBED C[C@@H](CCCNc1cnc(C#N)cn1)NC(=O)c1nnn(C)n1 1115052744 RMUZCPYTNZEYMF-VIFPVBQESA-N 315.341 -0.118 30 20 DBED C=CCOCCN1C[C@H]2[C@H](NC(=O)C[C@H]3CC(=O)NC3=O)[C@H]2C1 1115360846 ORSMKBLWSKMXJJ-UUIJZJDISA-N 321.377 -0.712 30 20 DBED CC(=O)N(C)CC(=O)N(C)C[C@H](C)N=c1cc[nH]c(C#N)n1 1115631123 SPAPFTCKJMEPQJ-JTQLQIEISA-N 304.354 -0.493 30 20 DBED Cc1nc(O)c(C#N)c(C)c1CCC(=O)NCCOCC(N)=O 1116275075 LTUWAOJAQNUHRX-UHFFFAOYSA-N 320.349 -0.174 30 20 DBED C=CCCCNC(=O)C(=O)N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1117544556 WQAGUEQNRRCWOV-NSHDSACASA-N 322.365 -0.436 30 20 DBED COCCOCCNC(=O)C(=O)Nc1cc(C)c(C#N)cn1 1118311618 FIDDGRYNOXMSAY-UHFFFAOYSA-N 306.322 -0.021 30 20 DBED N#Cc1cncc(N[C@@H](CO)CNC(=O)Cc2ccon2)n1 1121258187 PDDLQJCLQNTGSB-LLVKDONJSA-N 302.294 -0.532 30 20 DBED CC(C)C#CC(=O)NC[C@@H](CO)Nc1ccc2nnnn2n1 1121520467 NIFSWJRTVGSFMV-JTQLQIEISA-N 303.326 -0.932 30 20 DBED C#CCCNC1CC2(C1)CC(NC(=O)CN1C(=O)CNC1=O)C2 1122151834 YGFXENFQCIFSGP-UHFFFAOYSA-N 318.377 -0.422 30 20 DBED CN(C)[C@@H](C(=O)NC[C@@H](CO)Nc1ccc(C#N)nn1)C1CC1 1122152617 IIRFQSWVVSIRPU-GXTWGEPZSA-N 318.381 -0.423 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)C[C@@H]2CCNC2=O)nc1 1122192328 XPOXGWBGOGDKNE-RYUDHWBXSA-N 317.349 -0.632 30 20 DBED N#Cc1nccnc1N[C@@H](CO)CNC(=O)[C@]1(F)CCOC1 1122412203 WTPKSWPYXVOORY-RNCFNFMXSA-N 309.301 -0.634 30 20 DBED CC(=O)N(C)CC(=O)N(C)C[C@@H](O)CNc1ccc(C#N)nn1 1124112669 ZMPOBRBLBRCYLP-LBPRGKRZSA-N 320.353 -0.942 30 20 DBED Cc1nc(N(C)C[C@H](O)CN(C)C(=O)C(N)=O)ccc1C#N 1125247016 FYIBBQVXGHOOSM-NSHDSACASA-N 305.338 -0.998 30 20 DBED COCCCNC(=O)[C@@H](C)NCCNC(=O)c1ccc(C#N)[nH]1 1125818539 KKJXKPXFVOLXEV-LLVKDONJSA-N 321.381 -0.253 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@H](C)c1ccnn1C 1127588537 DUQYYUNPWOOQOP-VXGBXAGGSA-N 305.382 -0.633 30 20 DBED C=CCNC(=O)CN1C[C@H](n2ccnn2)[C@H](NC(=O)CC)C1 1128633166 OGPMLEYBDJAINO-NEPJUHHUSA-N 306.370 -0.668 30 20 DBED COCCCN1CCNC(=O)CCN(C(=O)[C@H](C)C#N)CC1 1131339399 BFKWYWLCALIVAN-CYBMUJFWSA-N 310.398 -0.167 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CCO[C@H]1C1CC1 1131568573 QGMBIYJDTGEZJB-YUTCNCBUSA-N 307.394 -0.355 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2cnsn2)CC[C@@H]1C 1131840067 ZHVDXQVCOHZAPD-QWRGUYRKSA-N 321.406 -0.130 30 20 DBED CC#CCN1C[C@@H](NC(=O)CNC(=O)CNC(C)=O)CC[C@H]1C 1132131629 GZGXAXAKOKJPNI-OCCSQVGLSA-N 322.409 -0.769 30 20 DBED C[C@@H]1CC[C@H](NC(=O)c2cnco2)CN1CC(=O)NCC#N 1132204652 XZZJWEVMMUJEDJ-MNOVXSKESA-N 305.338 -0.103 30 20 DBED C#CCNC(=O)CN1C[C@H](NC(=O)CN2CCCC2)CC[C@@H]1C 1132489433 JJSGUPWIRABXKD-LSDHHAIUSA-N 320.437 -0.199 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](C)[C@@H](CNCCCO)C1 1132769101 KICWYVJRSOEQPA-KBPBESRZSA-N 309.410 -0.418 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)CCC(=O)NCC 1133904041 BFZUWLBCLXVUQG-STQMWFEESA-N 324.425 -0.475 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)c1cn(C)cn1 1134105197 RAKUKGGUPGYZJI-RYUDHWBXSA-N 305.382 -0.344 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)c1coc(S(N)(=O)=O)c1)NCC#N 1134774085 UYZRJCGQEMLZAP-DTWKUNHWSA-N 314.367 -0.063 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)c1n[nH]cc1F 1135408057 REJCTQHJNJYKBE-NXEZZACHSA-N 309.345 -0.215 30 20 DBED C=CCNC(=O)CNCCNC(=O)CO[C@H](C)c1nccn1C 1149293412 FVOIMIIDHDXJIX-GFCCVEGCSA-N 323.397 -0.494 30 20 DBED C=CCCC(=O)NC[C@@H]1CN([C@@H]2CCC(=O)NC2=O)CCCO1 1149362099 OPJBSLJYVHFEJJ-CHWSQXEVSA-N 323.393 -0.035 30 20 DBED CCc1cccc(OCC(=O)NCCNCC(=O)NCC#N)c1 1150114116 PXMBKUOTCHONGK-UHFFFAOYSA-N 318.377 -0.027 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@H](C)Cc1c(C)n[nH]c1C 1151545482 FZNMKEPYJPHHBJ-LLVKDONJSA-N 319.409 -0.340 30 20 DBED C#CCN1CCC(C(=O)NCCNCc2cn(C)nn2)CC1 1152324302 PCZDFAUVPGBUFJ-UHFFFAOYSA-N 304.398 -0.634 30 20 DBED C=CCO[C@@H](C)C(=O)NCCNCC(=O)NC[C@@H]1CCCO1 1153134384 CHBDKWZOPKQZHE-STQMWFEESA-N 313.398 -0.422 30 20 DBED C=CCOCC(=O)NCCCNCC(=O)NC1CCOCC1 1155724590 ACOSKLZRYIXTQK-UHFFFAOYSA-N 313.398 -0.420 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)[C@@]1(C)CCOC1 1156035805 HNCYECUQSAQHOH-DOMZBBRYSA-N 310.398 -0.121 30 20 DBED CCN(CC#CCOC)[C@H](C)CNC(=O)c1cn(C)c(=O)n1C 1157164829 COTWMOGMJAHCSN-CYBMUJFWSA-N 322.409 -0.186 30 20 DBED C#CCNC(=O)[C@H](C)N1CC=C(CCNC(=O)COC)CC1 1158987983 YMSXJYBWKOBUOT-ZDUSSCGKSA-N 307.394 -0.091 30 20 DBED C=CCN1CC[C@@H](NCC2(CCNC(=O)CC(N)=O)CC2)C1=O 1163917382 CCIMGFMRCPLQRP-GFCCVEGCSA-N 322.409 -0.475 30 20 DBED C#CCOCCC(=O)NCCC1(CNCC(=O)NCC#N)CC1 1164501672 OUKSZKQBEDEYME-UHFFFAOYSA-N 320.393 -0.458 30 20 DBED C[C@@H](C(=O)NCCCNCC(=O)NCC#N)c1cncnc1 1164520511 RBGUCGYASQOGMK-LLVKDONJSA-N 304.354 -0.684 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1cc(C(C)C)[nH]n1 1167157788 UXQIIRUPCBFGKG-UHFFFAOYSA-N 305.382 -0.008 30 20 DBED C#CCNC(=O)CNCC1(CCNC(=O)CN2CCCC2)CC1 1168146408 HINPIBYLABLBCD-UHFFFAOYSA-N 320.437 -0.292 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)Cn1ccnc1C 1176146530 CGPJABKQEYUPNF-GFCCVEGCSA-N 307.398 -0.022 30 20 DBED C[C@H](CCCCNCC#N)NC(=O)CC[C@@H]1NC(=O)NC1=O 1176484979 AQZGFOAGWIJTSS-MNOVXSKESA-N 309.370 -0.237 30 20 DBED C=CCNC(=O)NC(=O)CN1CCO[C@H]2CCN(C(C)=O)C[C@H]21 1176876548 PCYIHGBDJRPQIK-OLZOCXBDSA-N 324.381 -0.680 30 20 DBED CC(C)CC(=O)N1CC[C@@H]2OCCN(CC(=O)NCC#N)[C@H]2C1 1176886863 GDFZYXJOWRGRHD-KBPBESRZSA-N 322.409 -0.026 30 20 DBED CCOCC(=O)N1CC[C@H]2OCCN(CC#CCOC)[C@H]2C1 1176901021 UWYIPJGISUJIGB-LSDHHAIUSA-N 310.394 -0.026 30 20 DBED COCC#CCN[C@H]1CCN(C(=O)[C@H](C)S(C)(=O)=O)[C@H]1C 1179005110 APWNBYWORHBTIN-AVGNSLFASA-N 316.423 -0.352 30 20 DBED N#CCNC(=O)CN[C@@H]1CCN(C(=O)CC[C@H]2CCCO2)C1 1181066296 UYQNGPIVYHQEFD-CHWSQXEVSA-N 308.382 -0.224 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)Cc2cncnc2)C1 1182203455 AZNHIQIHTDXCSV-GXTWGEPZSA-N 315.377 -0.653 30 20 DBED N#CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2C(F)F)C1 1182311467 QFWZEWDOMQZAHH-UTLUCORTSA-N 300.309 -0.282 30 20 DBED C=CCOCCN1C[C@@H]2CCN(C(=O)[C@H]3CN(C)C(=O)N3)[C@@H]2C1 1188777494 SFAIRUCIXSQVFN-BFHYXJOUSA-N 322.409 -0.255 30 20 DBED N#CCNC(=O)CN1C[C@@H]2CCN(C(=O)[C@@H]3CC34CC4)[C@@H]2C1 1189230103 ICQKPVIYSFAOOX-RWMBFGLXSA-N 302.378 -0.041 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@H](N(C)Cc2nc(O)n[nH]2)C1 1190105632 POEJNBMVSIWSME-MNOVXSKESA-N 307.354 -0.419 30 20 DBED C=CCOCCN(C)[C@@H]1CCN(C(=O)[C@@H]2CN(C)C(=O)N2)C1 1191721605 YUJKCHBATJSPCC-OLZOCXBDSA-N 310.398 -0.255 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)CCn2ccnc2)C1 1195149032 HZLSANAUZOQCHT-ZIAGYGMSSA-N 306.366 -0.916 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)c2ccc(C(N)=O)[nH]2)C1 1196200488 WCDOVDQXTQUBBN-CHWSQXEVSA-N 322.365 -0.909 30 20 DBED C#CCNC(=O)[C@H](C)NC1CCN(C(=O)CC(C)(C)O)CC1 1200340856 HXQPYIYSBMHGAL-LBPRGKRZSA-N 309.410 -0.134 30 20 DBED CN1CCCC[C@H]1C(=O)N1CCC(NCC(=O)NCC#N)CC1 1201266732 FRGPOACBWXDTLQ-AWEZNQCLSA-N 321.425 -0.309 30 20 DBED COCC#CCN[C@@H]1C[C@H](NC(=O)CNC(N)=O)C12CCC2 1202431008 YJTAVROLVYTLKB-NEPJUHHUSA-N 308.382 -0.679 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)CN(CC)CC)CC1 1203004803 HABLWIGBGMOTGE-UHFFFAOYSA-N 308.426 -0.342 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)[C@H](CC)N(C)C)CC1 1206300390 CIHPSDISPWWBFW-HNNXBMFYSA-N 322.453 -0.096 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)Cc2cc(C)on2)C1 1207698597 UOUGFCVESUGOGU-CYBMUJFWSA-N 318.377 -0.144 30 20 DBED C#CCN1C[C@@H](NC(=O)COC2CCN(C)CC2)[C@H](OC)C1 1213629440 ZHQLQGKBJNDYDY-HUUCEWRRSA-N 309.410 -0.454 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@@](C)(NC(C)=O)C2CC2)[C@H](OC)C1 1213713002 KDZBOIBSQSFZND-FMKPAKJESA-N 307.394 -0.260 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C 1214170332 WUXGJHHQWLRMLN-VXGBXAGGSA-N 308.407 -0.571 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)CCc2nc[nH]n2)C1 1219441139 OQLXOYAPWAFCSS-NEPJUHHUSA-N 309.370 -0.899 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(CCc2ccnn2C)C[C@@H]1O 1219604827 ANXRRBJJZCDNGU-YUELXQCFSA-N 320.393 -0.838 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2nccnc2C)C[C@@H]1O 1219605377 QIZGKSQQHDFDIN-YUELXQCFSA-N 318.377 -0.515 30 20 DBED C=C(C)[C@@H](CC(=O)N[C@@H]1CN(CC(=O)NC)C[C@@H]1O)OCC 1219726271 VZAUQRKPHVXQRM-FRRDWIJNSA-N 313.398 -0.735 30 20 DBED CCCc1cc(C(=O)N[C@@H]2CN(CC#CCOC)C[C@@H]2O)n[nH]1 1220109729 UULSGHPOJYQPAP-CABCVRRESA-N 320.393 -0.213 30 20 DBED CCN(CC)CC(=O)N1C[C@H]2CCN(CC(=O)NCC#N)C[C@H]21 1221878252 JBZKUMRFBHIGRA-ZIAGYGMSSA-N 321.425 -0.499 30 20 DBED COCC#CCN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CNC(=O)N1 1228260483 BEXAXKCIEJFKRL-JHJVBQTASA-N 308.382 -0.665 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC(NC(=O)c2n[nH]cc2F)CC1 1229065907 XPFODWUPJYSMLS-JTQLQIEISA-N 321.356 -0.119 30 20 DBED N#CCNC(=O)CN1CCC(NC(=O)Cc2ncc[nH]2)CC1 1229723584 TZLJXLLDGDTFBW-UHFFFAOYSA-N 304.354 -0.827 30 20 DBED CN(C[C@H]1CCN1CC(=O)NCC#N)C(=O)C1=COCCC1 1231122301 KVIHHGZPBJRSSY-CYBMUJFWSA-N 306.366 -0.147 30 20 DBED CCn1cc(C(=O)N(C)C[C@H]2CCN2CC(=O)NCC#N)cn1 1231310658 BPFIQKVOSURTOP-CYBMUJFWSA-N 318.381 -0.311 30 20 DBED CCS(=O)(=O)N[C@H](C)C(=O)N(C)C[C@@H]1CCN1CC#N 1234447564 WXBUIESFOQGSQC-MNOVXSKESA-N 302.400 -0.630 30 20 DBED C=CC[C@H](C)NC(=O)C(=O)Nc1cc(C)n(CC(=O)NC)n1 1253957208 XCEJNHIWERVRPL-VIFPVBQESA-N 307.354 -0.043 30 20 DBED COCCCOCC(=O)NCCN/C(O)=C1\N=CC=CC1=O 1254196940 MVUIMIAAGXYPNX-BUHFOSPRSA-N 311.338 -0.318 30 20 DBED C[C@H](O)C[C@H]1COCCN1C(=O)C(=O)Nc1cnn(CC#N)c1 1255532079 UCXIIHZOTLMIAA-JQWIXIFHSA-N 321.337 -0.657 30 20 DBED CO[C@H]1CCN(C(=O)C(=O)NCCNc2ncccc2C#N)C1 1321742364 SVVHCDOUNIVSRO-LBPRGKRZSA-N 317.349 -0.271 30 20 DBED C=CCSCCNC(=O)C(=O)N[C@@H](C)CS(C)(=O)=O 1322107202 KDECZTXSHHKGMX-VIFPVBQESA-N 308.425 -0.429 30 20 DBED C=CC[C@@H](CC)NC(=O)C(=O)N1CCC(OCC(N)=O)CC1 1322878890 GXVXPNFHFSYMNG-LLVKDONJSA-N 311.382 -0.050 30 20 DBED COC(=O)CN(CC#N)C(=O)Cc1c(C)[nH]c2ccnn2c1=O 1323065018 FTCQYKPWRUNEBM-UHFFFAOYSA-N 317.305 -0.601 30 20 DBED C=CCNC(=O)CNC(=O)C(=O)Nc1cccc(C(=O)NC)c1 1323507503 SVQUCXBCQBWPCG-UHFFFAOYSA-N 318.333 -0.597 30 20 DBED N#CCNC(=O)COC(=O)c1ccc2c(c1)NC(=O)CNC2=O 1324177465 JXCKWNNQDYRTCX-UHFFFAOYSA-N 316.273 -0.835 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCO[C@@H](C#N)C1 1324183022 VWXGJIPLXSGINW-AGIUHOORSA-N 307.350 -0.165 30 20 DBED O=C(O)C1CC(=NNC(=S)NCCN2CCOCC2)C1 1324912214 FAKNWOJFSAYIJS-UHFFFAOYSA-N 300.384 -0.367 30 20 DBED CCN(CC)[C@@H]1CCN(C(=O)C(=O)N2CCO[C@H](C#N)C2)C1 1325101056 AYUONHKCHGQYDH-CHWSQXEVSA-N 308.382 -0.320 30 20 DBED C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1326227484 NLPKVUAMRMZQAT-WWGRRREGSA-N 322.409 -0.338 30 20 DBED C=C[C@H](C)ONC(=O)C(=O)Nc1cnn(CC(=O)NC2CC2)c1 1327323516 HFXRUCYOWDAQTA-VIFPVBQESA-N 321.337 -0.278 30 20 DBED CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)NCC(=O)NCC#N 1331732446 XXDMGNFYIJPTFB-JBLDHEPKSA-N 322.365 -0.002 30 20 DBED C=CCn1cc(CNC(=O)C(=O)NC2CCN(CC)CC2)nn1 1332025615 AFSWIVSBIZIGDT-UHFFFAOYSA-N 320.397 -0.319 30 20 DBED C=CCSCCNC(=O)C(=O)N[C@@H]1COCC[C@H]1OC 1333832178 DTMXBBQBIJCQOC-GHMZBOCLSA-N 302.396 -0.058 30 20 DBED C=CCOCCNC(=O)C(=O)N1CCOC[C@@H]1c1noc(C)n1 1333838123 PQUFLEGYDDDIPC-LLVKDONJSA-N 324.337 -0.403 30 20 DBED C=CCn1c(CN2CCC[C@H](O)C2)nnc1N1CCNC(=O)C1 1342133350 RENWMXNWLNHYIK-LBPRGKRZSA-N 320.397 -0.643 30 20 DBED C=C(C)COCCNC(=O)C(=O)N1CCn2cnnc2[C@@H]1C 1343162746 OZXZYAJADGWJKF-NSHDSACASA-N 307.354 -0.110 30 20 DBED N#C[C@@]1(F)CCN(C(=O)C(=O)NCCOC[C@H]2CCCO2)C1 1345495631 XXHIASLLGDGANG-RISCZKNCSA-N 313.329 -0.238 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2C[C@H](C)C[C@@H](CO)C2)nn1 1349046432 UBCLERBTMYGUII-VXGBXAGGSA-N 321.381 -0.443 30 20 DBED C[C@@H]1CN(C(=O)CCn2cc(C#N)c(O)nc2=O)CC[C@@H]1O 1362688605 PNMBEFUBGJCWJL-KOLCDFICSA-N 306.322 -0.560 30 20 DBED COCC[C@@H]1COCCN1C(=O)Cn1cc(C#N)c(O)nc1=O 1362747814 GKOYCOOVLHALOW-LLVKDONJSA-N 322.321 -0.916 30 20 DBED CC(C)(C)OC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)CC#N 1363284349 KIVIKIOOQQPRTG-VIFPVBQESA-N 302.352 -0.133 30 20 DBED N#Cc1cn(CCNC(=O)COC[C@@H]2CCCO2)c(=O)nc1O 1363484760 UADRUDOVIDGRLM-NSHDSACASA-N 322.321 -0.868 30 20 DBED N#C[C@H]1CN(C(=O)NC[C@H]2CCCS(=O)(=O)C2)CCO1 1365181490 LLIHNHOQGROJMQ-MNOVXSKESA-N 301.368 -0.255 30 20 DBED COc1ccnc(CN2CC(O)(CNC(=O)[C@H](C)C#N)C2)c1 1376139650 DTGFYQKKOMRTAO-LLVKDONJSA-N 304.350 -0.087 30 20 DBED COCCN(CCNC(=O)c1ccc(O)nn1)C(=O)[C@H](C)C#N 1384385808 SHEBADCSTYBVTF-SNVBAGLBSA-N 321.337 -0.453 30 20 DBED CO[C@H](C)C(=O)N1CC[C@](O)(CNC(=O)c2cc(C#N)c[nH]2)C1 1390434291 VVPNFUAOOPWBTF-BMIGLBTASA-N 320.349 -0.386 30 20 DBED CCN(CCNC(=O)CCCS(C)(=O)=O)C(=O)[C@H](C)C#N 1398111397 BFWJNIJRUSJBEM-LLVKDONJSA-N 317.411 -0.064 30 20 DBED CNS(=O)(=O)CC(=O)NC[C@H](C)NCc1ccc(C#N)cc1 1399093906 CSLURYSIXRFEJJ-NSHDSACASA-N 324.406 -0.298 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(Cc2nc(C3CC3)no2)C1 1407396059 DWQQUYGVUCMURA-VIFPVBQESA-N 305.338 -0.230 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(CCNC(=O)CC2(O)CCC2)CC1 1407423964 ANNPWUPWHPDOII-ZDUSSCGKSA-N 322.409 -0.288 30 20 DBED CCOC(=O)[C@@H](C[C@H]1CCCO1)NC(=O)Cn1cnc(C#N)n1 1412577955 UOUZIYWMUXWTHO-GHMZBOCLSA-N 321.337 -0.233 30 20 DBED CCN(CCNC(=O)[C@H](C)C#N)CC(=O)N1CCO[C@@H](C)C1 1420369782 NUJJTYSBJVFIKD-OLZOCXBDSA-N 310.398 -0.169 30 20 DBED C=C(Cl)CNC[C@@H](O)CN(C)C(=O)c1ccc(C(N)=O)[nH]1 1426036980 BCWHVUVTYNDKKP-SECBINFHSA-N 314.773 -0.111 30 20 DBED C[C@@H](CNC(=O)CCS(C)(=O)=O)N(C)C(=O)[C@H](C)C#N 1426693231 CDZGFDVZEPTHRG-ZJUUUORDSA-N 303.384 -0.456 30 20 DBED CCn1nc(C(=O)NC[C@@H](C)NC(=O)[C@H](C)C#N)ccc1=O 1430720158 VSXPRUJXUOLFAZ-NXEZZACHSA-N 305.338 -0.343 30 20 DBED COC[C@H](OC)C(=O)NC[C@H](C)NC(=O)c1cc(C#N)c[nH]1 1431796938 ZWSQPKLNZOPINP-CABZTGNLSA-N 308.338 -0.218 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1cccc2ncnn12 1433326905 GPCXZXDKFKSKFJ-ZJUUUORDSA-N 316.321 -0.904 30 20 DBED N#Cc1ncn(CCNC(=O)C[C@@H]2CCCS(=O)(=O)C2)n1 1433473366 RCBFLFCERMUKRY-JTQLQIEISA-N 311.367 -0.519 30 20 DBED N#Cc1cn(CC(=O)N[C@@H]2CCn3cncc3C2)c(=O)nc1O 1452132849 KUDXRAKAGSFADK-SNVBAGLBSA-N 314.305 -0.852 30 20 DBED C[C@@H](C#N)C(=O)N1CC(CNC(=O)C(C)(C)N2CCOCC2)C1 1456542401 OVSXIFSKJBTNBA-LBPRGKRZSA-N 322.409 -0.169 30 20 DBED CC[C@H](C(=O)NC[C@@H](O)CNC(=O)c1cc(C#N)c[nH]1)N(C)C 1457971484 XVRYRUJICGMDLH-WCQYABFASA-N 321.381 -0.567 30 20 DBED C=C(Cl)CNC[C@H](O)CN(C)C(=O)CCc1cnn[nH]1 1507504952 GZCCLUXNLFMOAY-NSHDSACASA-N 301.778 -0.101 30 20 DBED C=CC(C)(C)C(=O)NC1(CCO)CN(C(=O)[C@@H]2C[C@@H]2C(=O)O)C1 1573347903 QAAHPZSJVYJVDH-MNOVXSKESA-N 324.377 -0.001 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2C[C@H](N)C2(C)C)C1=O 1574935200 CCYHGULTCVGARA-IUCAKERBSA-N 308.338 -0.795 30 20 DBED C#CC[C@H](COC)NS(=O)(=O)c1n[nH]c(C)c1C(=O)O 1588394920 OLDYDYVXRFOUEQ-MRVPVSSYSA-N 301.324 -0.267 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)C(=C)CCC(=O)O)CC1 1588484115 QQMBCFWYEQXUKH-UHFFFAOYSA-N 321.377 -0.309 30 20 DBED C=CC[C@H](CO)NS(=O)(=O)c1ccc(-c2nn[nH]n2)nc1 1588545801 OIBJVMYDJQWDRB-MRVPVSSYSA-N 310.339 -0.523 30 20 DBED C=CCOC[C@H](NC(=O)[C@]12CCC(=O)N1CCS2)C(=O)O 1588855407 FWHQFWMIGAWVPJ-TVQRCGJNSA-N 314.363 -0.176 30 20 DBED C=CCn1cc(C(=O)OCC(=O)N2CCC(C(=O)O)CC2)nn1 1588908983 CSIDGAZKZCLZEX-UHFFFAOYSA-N 322.321 -0.056 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H](C(=O)O)C[C@H]2C(=O)OC)nn1 1588910301 PCXKHHVEDJLBMS-ONGXEEELSA-N 322.321 -0.058 30 20 DBED CCO[C@H](CNc1cnc(C#N)c(-c2nn[nH]n2)n1)CN(C)C 1590785524 KNQNLZFBNFFLLR-SECBINFHSA-N 317.357 -0.093 30 20 DBED CN1CC[C@@H](CC(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[nH]2)C1 1591176312 NNQNLBXTEIZSBS-ZETCQYMHSA-N 301.314 -0.258 30 20 DBED Cn1c(O)c(C(=O)/C=C\c2c[nH]c(C(=O)O)c2)c(=O)n(C)c1=O 1600922071 VKRGKTIOZCLCFH-ARJAWSKDSA-N 319.273 -0.288 30 20 DBED Cn1ccnc1[C@@H](C#N)C(=O)Cn1nc2n(c1=O)CCCC2 1646841502 JHJXAAPCEFLUGS-JTQLQIEISA-N 300.322 -0.009 30 20 DBED C[C@@H](NC(=O)NCCn1cnc(C#N)n1)c1nnnn1C1CC1 1647334707 YZLVQRRPWYWCTA-MRVPVSSYSA-N 316.329 -0.468 30 20 DBED C#CCNC(=O)CN1CCC[C@H](NC(=O)CCc2nc[nH]n2)C1 1660814788 RPWPPPKVXZEMPP-LBPRGKRZSA-N 318.381 -0.933 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@@H](NC(=O)Cn2ccnc2)C1 1715006376 FDZVERXANWSTRI-CHWSQXEVSA-N 303.366 -0.789 30 20 DBED C=CCCCN1CCN(CCNC(=O)Cn2cnnn2)CC1 1752360609 OCQMJOVWBRREOJ-UHFFFAOYSA-N 307.402 -0.627 30 20 DBED C#CCNC(=O)CN1CCC[C@H](CNC(=O)Cc2cnoc2)C1 1752786321 PSIOARXHRBDTMJ-CYBMUJFWSA-N 318.377 -0.205 30 20 DBED C#CCNC(=O)CN[C@@H](C)CNC(=O)CCc1ccncc1 1752885152 JBZMTOIKWHIBGV-ZDUSSCGKSA-N 302.378 -0.142 30 20 DBED C#CCCN1CCN(CCN(C)C(=O)[C@]2(C)CCC(=O)N2)CC1 1753343279 LTAVLVLEKUERGH-KRWDZBQOSA-N 320.437 -0.246 30 20 DBED C#CCNC(=O)CN1CC(CNC(=O)CCc2ccon2)C1 1753406839 LLHQEFSGUMXCOM-UHFFFAOYSA-N 304.350 -0.595 30 20 DBED C=CCn1cc(C(=O)NC/C=C\CN[C@@H](C)C(=O)NC)nn1 1754183158 YHPZKZISKRKFDW-GZTOBOFZSA-N 306.370 -0.526 30 20 DBED COCC#CCNC[C@@H](C)NC(=O)c1nc2nccc(C)n2n1 1754250811 CQPVACJJLNVAGT-LLVKDONJSA-N 316.365 -0.210 30 20 DBED C=CCCCCCN1CC[C@@](O)(CNC(=O)[C@H]2CNC(=O)N2)C1 1754754357 KVTNKEDCQROABO-CZUORRHYSA-N 324.425 -0.033 30 20 DBED CC[C@H](C)NC(=O)[C@@H](C)N1CC(O)(CNC(=O)C#CC2CC2)C1 1754767678 PLAOGZXESJJBJE-QWHCGFSZSA-N 321.421 -0.134 30 20 DBED C#CCNC(=O)CN[C@H](C)[C@@H]1CCN(C(=O)CCCN(C)C)C1 1754799472 NFQWUFHDKBCUNJ-HUUCEWRRSA-N 322.453 -0.096 30 20 DBED C=CCNC(=O)CNC[C@H]1CN(C(=O)Cn2cncn2)C[C@H]1C 1754827873 ZWGBJJYDZVLPJR-OLZOCXBDSA-N 320.397 -0.736 30 20 DBED N#CCN1CCOC[C@H]1CNC(=O)CCOC[C@H]1CCCO1 1754968614 IDLSCCZOWQQKSA-ZIAGYGMSSA-N 311.382 -0.087 30 20 DBED C#CCNC(=O)CN(C)C[C@H]1CCCN1C(=O)[C@H](C)NC(C)=O 1755189096 GXLXQDIXXZALCF-GXTWGEPZSA-N 322.409 -0.817 30 20 DBED Cc1nn(CC(=O)N(C)CC[C@H](NCC#N)C(C)C)c(=O)n1C 1755342519 HCCRMXJRHKQUTM-ZDUSSCGKSA-N 322.413 -0.124 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H](CO)CNC(=O)C1CCC(=C)CC1 1755637749 GIBUSRYICYRFKF-UKRRQHHQSA-N 321.421 -0.063 30 20 DBED COCC#CCNC[C@H]1CC[C@@H](NC(=O)CNC(=O)OC)C1 1755731077 QXADOCXBAKYVIE-QWHCGFSZSA-N 311.382 -0.133 30 20 DBED C#CCOCCC(=O)N1C[C@H]2[C@H](CNC(=O)CCN(C)C)[C@H]2C1 1756210320 TZMDBOPGXQBVQQ-QKDCVEJESA-N 321.421 -0.201 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C[C@@H](O)CNC(=O)c1ccccn1 1756663416 PDMIRACGDJYOBM-STQMWFEESA-N 319.361 -0.331 30 20 DBED CC(C)N(CCN(C)C(=O)[C@H]1CCNC1=O)C(=O)[C@@H](C)C#N 1756699684 GTEBXPANDMGRLY-RYUDHWBXSA-N 308.382 -0.022 30 20 DBED C#Cc1ccc(C(=O)N(CC)[C@H](C)CNC(=O)C(N)=O)nc1 1756860652 VZRGBEWRLQSZFW-SNVBAGLBSA-N 302.334 -0.485 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(C(=O)c2cc(OC)no2)C[C@H]1O 1756992559 WELOVAUYRBNYAU-GHMZBOCLSA-N 321.333 -0.212 30 20 DBED C[C@H](NC(N)=O)C(=O)N1C[C@@H](NC(=O)C#CC2CC2)[C@H](C)C1 1757068171 FCLUCJNIFHDHAX-JFGNBEQYSA-N 306.366 -0.580 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(C(=O)C2CCN(C)CC2)C[C@@H]1O 1757171593 YFHAFOQTLCQRNI-CABCVRRESA-N 321.421 -0.325 30 20 DBED C#CCCC(=O)N1CCO[C@@]2(CCN(C(=O)c3ncon3)C2)C1 1779874409 ZSRIVFYJDWJMDU-HNNXBMFYSA-N 318.333 -0.074 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)C(C)(C)NC(C)=O)CCO2 1783046232 DKACXVPYWHJSJD-INIZCTEOSA-N 321.377 -0.636 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccn(C)n1)CCO2 1783049792 TXORHQMICHKIIN-HNNXBMFYSA-N 302.334 -0.503 30 20 DBED C#CC(=O)N1CCO[C@]2(CCN(C(=O)Cc3cc(C)on3)C2)C1 1784366336 VCXGEMDBGLNSDU-INIZCTEOSA-N 317.345 -0.011 30 20 DBED C#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)CN)[C@H]2C1 1786790279 KFUHZEXQGUZJNK-QPSCCSFWSA-N 321.421 -0.026 30 20 DBED C=CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(C)=O)C2 1801001406 MLNHSDUXLRWLKP-JJLQDPRZSA-N 309.366 -0.712 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@H](C)n2cccn2)CC1 44686060 UIIWZYLEZONVGD-ZDUSSCGKSA-N 305.382 -0.110 30 20 DBED C#CCNS(=O)(=O)c1cccc(C(=O)NCC(=O)OCC)c1 57297118 MALBEINNYIUCDZ-UHFFFAOYSA-N 324.358 -0.109 30 20 DBED CN(C)CC(=O)N1CCN(S(=O)(=O)CCCC#N)CC1 111329392 LGVDTOCOPXJSKC-UHFFFAOYSA-N 302.400 -0.674 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)CSCC(=O)O)CC1 128148526 MGHZUMHDTIBGKA-UHFFFAOYSA-N 315.395 -0.749 30 20 DBED C/N=C(/NCC(=O)N1CCCC1)N1CCC[C@H](CC(N)=O)C1 153604357 SBDGGTJNUIXKIM-GFCCVEGCSA-N 309.414 -0.228 30 20 DBED CCC[C@@H](NS(=O)(=O)N(CCC#N)CCOC)C(=O)O 263512310 YGXVUXNVJPFHAC-SNVBAGLBSA-N 307.372 -0.064 30 20 DBED CNC(=O)C1CN(C(=O)C(=O)Nc2ccc(C#N)cc2F)C1 274497858 LIJHHEBUJSTRNO-UHFFFAOYSA-N 304.281 -0.160 30 20 DBED Cc1cc(C#N)ccc1S(=O)(=O)NC[C@@H]1CC(C(N)=O)=NO1 276287423 IQNBIYZDCQIOGE-JTQLQIEISA-N 322.346 -0.225 30 20 DBED C[C@@H]1OCC[C@]12CN(c1c(C#N)c(=O)n(C)c(=O)n1C)CCO2 280395626 HYVXQXFJJNXBLK-BONVTDFDSA-N 320.349 -0.660 30 20 DBED O=C1[C@@H]2CCCC[C@H]2C(=O)N1C/C(O)=N/CCn1ncnn1 328717486 FJCNFNDHIAYSMD-NXEZZACHSA-N 306.326 -0.195 30 20 DBED CCO[C@@H]1C[C@H](/N=C(/O)CN2CCS(=O)(=O)CC2)[C@H]1OC 330127732 NBFCZJVGQCZSGX-DMDPSCGWSA-N 320.411 -0.134 30 20 DBED Cn1nnc(C/N=C(/O)N2CCN(Cc3cscn3)CC2)n1 330207413 AGQDJOVHWRQPHQ-UHFFFAOYSA-N 322.398 -0.102 30 20 DBED CCS(=O)(=O)N1CCN(/C(O)=N/CCn2cncn2)CC1 330410885 AGRYDUCLSBTABY-UHFFFAOYSA-N 316.387 -0.841 30 20 DBED C[C@H]1COCCN1CC/N=C(/O)c1cn(CC(=O)N(C)C)nn1 330623063 OYLJJUJVDBFDDE-NSHDSACASA-N 324.385 -0.608 30 20 DBED N#CCC1(O)CN(C(=O)CCCS(=O)(=O)N2CCCC2)C1 331370662 ILKJLNNVKHOIIZ-UHFFFAOYSA-N 315.395 -0.321 30 20 DBED CCOC(=O)[C@@H](CO)NC(=O)COc1ccc(C#N)cc1OC 355746087 FKQUWYXEBYAVSP-LLVKDONJSA-N 322.317 -0.014 30 20 DBED N#Cc1ccccc1S(=O)(=O)N1CC[C@@H](S(N)(=O)=O)C1 358603227 SWOZLAMKSBNZCG-SNVBAGLBSA-N 315.376 -0.390 30 20 DBED C[C@H](c1ccccc1)[C@@H](NC(=O)Cn1cnc(C#N)n1)C(N)=O 359239466 LAPIOTNFKBJRCP-QMTHXVAHSA-N 312.333 -0.076 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2C[C@H](O)C2(C)C)C1=O 428290949 ONQGIDBUZRZWHI-BDAKNGLRSA-N 309.322 -0.761 30 20 DBED CCCN(CC(N)=O)CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 429153909 XPFLRNLAMCOAEL-AWEZNQCLSA-N 323.441 -0.124 30 20 DBED C#CCN(C)C(=O)C(=O)Nc1cccc(S(=O)(=O)NC)c1C 491406301 NINLQQYUEUPFGP-UHFFFAOYSA-N 323.374 -0.067 30 20 DBED C#CCNC(=O)CN1CCN([C@H](C)c2nc(COC)no2)CC1 491675088 LNIWOHDNLGZHPS-GFCCVEGCSA-N 321.381 -0.356 30 20 DBED C=CCn1nnnc1SCC(=O)N1CCC[C@H](C(N)=O)C1 505842089 CKCMFQCRMIROLK-VIFPVBQESA-N 310.383 -0.325 30 20 DBED C=CCN1CCC(NC(=O)CN(C)S(=O)(=O)N(C)C)CC1 567477176 HCLUFMVGNLGCAO-UHFFFAOYSA-N 318.443 -0.509 30 20 DBED CCN1C[C@@H](NCCS(=O)(=O)c2ccc(C#N)cn2)CC1=O 567696931 KWMQESPCLKHNLX-LBPRGKRZSA-N 322.390 -0.063 30 20 DBED CNc1nccc(C(=O)N(CC#N)CC(=O)OC)c1[N+](=O)[O-] 568198842 KBIRXBKITMZQID-UHFFFAOYSA-N 307.266 0.170 30 20 DBED C[C@H]1C[C@@H](CO)CCN1S(=O)(=O)N1CCO[C@H](C#N)C1 576378874 PMAUAOLHTHZGJD-SDDRHHMPSA-N 303.384 -0.452 30 20 DBED CCOC(=O)Cn1cnc(NC(=O)N(CCC#N)CCOC)n1 591871824 LVNQWLBREKYUFZ-UHFFFAOYSA-N 324.341 0.235 30 20 DBED N#CC[C@]1(O)CCN(C(=O)CNC(=O)c2cccc(O)c2)C1 592849377 JLSCMLYKSFKERT-HNNXBMFYSA-N 303.318 -0.001 30 20 DBED CCN1C[C@@H](CNS(=O)(=O)N(C)C[C@H](C)C#N)CC1=O 593641830 UAOSLWXWFROZQS-GHMZBOCLSA-N 302.400 -0.219 30 20 DBED C=CCCOCC(=O)N[C@H](C)C(=O)N1CCS(=O)(=O)CC1 596979932 XJQRAZYVIFUDPL-LLVKDONJSA-N 318.395 -0.659 30 20 DBED N#CCN1CCN(C(=O)CCn2cnc3c(N)ncnc32)CC1 597274588 QPGWQOSONKKVQC-UHFFFAOYSA-N 314.353 -0.534 30 20 DBED CC(C)[C@@H](C#N)N1CCN(C(=O)c2cn(C)c(=O)nc2O)CC1 609458784 YHOCKAAZVIFBSB-GFCCVEGCSA-N 319.365 -0.208 30 20 DBED CCN(C[C@H]1CCOC1)S(=O)(=O)N1CCO[C@H](C#N)C1 619708659 XKGUHTCEZFCGSS-VXGBXAGGSA-N 303.384 -0.186 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)NCC(C)(C)S(C)(=O)=O 619711510 ZOABPIGMBKMLHJ-SECBINFHSA-N 311.429 -0.265 30 20 DBED C=CCN1CC[C@H](n2cc(CCN3CCNCC3)nn2)C1=O 641109737 UMYJUGHPFQAKOP-AWEZNQCLSA-N 304.398 -0.315 30 20 DBED C=CCn1cc(C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)nn1 648714404 FBRRFFQAPCRKPB-ZDUSSCGKSA-N 319.365 -0.073 30 20 DBED CC#CC[C@H](CO)NC(=O)[C@@H](C(C)C)N1CCCS1(=O)=O 649184080 CCTNJFAQQAYGIO-CHWSQXEVSA-N 316.423 -0.063 30 20 DBED N#CCNC(=O)COC(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O 731235644 JYLYHRKAFLHPNG-AOOOYVTPSA-N 307.306 -0.655 30 20 DBED N#Cc1ccc(NCCNC(=O)N2CCO[C@@H](C(=O)O)C2)nc1 738431592 XYSACCUJDUHYNP-LLVKDONJSA-N 319.321 -0.140 30 20 DBED CS(=O)(=O)CC(=O)OCC(=O)NCc1cccc(C#N)c1 746584773 MBJYQXNHEDKVNH-UHFFFAOYSA-N 310.331 -0.238 30 20 DBED C#CCNC(=O)COC(=O)c1ccc(=O)n(-c2cnn(C)c2)c1 760843055 LHKAMSXHKCXLIV-UHFFFAOYSA-N 314.301 -0.523 30 20 DBED NS(=O)(=O)c1ccccc1NN=Cc1cn(CC(=O)O)nn1 773120295 GZMCMOYLAPZPKS-UHFFFAOYSA-N 324.322 -0.544 30 20 DBED C#CCCS(=O)(=O)N1CCC(C(=O)N2CCOCC2)CC1 808278104 GCMZFWKNIADMKR-UHFFFAOYSA-N 314.407 -0.090 30 20 DBED N#CCCOCCOC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 815215364 SQJXGLLNAYRGDY-AAXDQBDMSA-N 322.317 -0.378 30 20 DBED C[C@@H](C#N)CNC(=O)CNC(=O)c1ccc(-c2nn[nH]n2)cc1 819845490 VQVQEIHGGHPAKX-VIFPVBQESA-N 313.321 -0.128 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N[C@H]1C[C@@H](C(=O)OC)C1 840338774 FTOHYQCIZMLTMU-AOOOYVTPSA-N 304.368 -0.162 30 20 DBED C=C[C@@H](C(=O)O)N1CCN(S(=O)(=O)N(CC)CC)CC1 846234904 MEJKTELGPCZVFR-NSHDSACASA-N 305.400 -0.170 30 20 DBED C#CC[C@@H](CO)NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 854547847 KEYWKPAUPDALCF-LBPRGKRZSA-N 321.358 -0.663 30 20 DBED C#CCn1cc(CNC(=O)c2cc(C(=O)OC)nn2C)cn1 867855952 UYZKQIBJITWMAD-UHFFFAOYSA-N 301.306 -0.034 30 20 DBED C#CC1(O)CN(C(=O)CCn2c(=O)nc(O)c3ccccc32)C1 890519721 CFXQMJQKEKGZPF-UHFFFAOYSA-N 313.313 -0.301 30 20 DBED C#CC1(O)CN(C(=O)C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)C1 890520561 KCTDOJXRNUPYBW-CYBMUJFWSA-N 312.329 -0.687 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(CN(C)CCOC)c1=O 921048960 ZNUJRJQECIDYFR-UHFFFAOYSA-N 310.354 -0.921 30 20 DBED COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NO 921186791 XQKQIFXNLDDUIG-UHFFFAOYSA-N 316.335 -0.165 30 20 DBED CN(C(=O)c1c[nH]c(C#N)c1)[C@H]1CCN(C(=O)c2cnn[nH]2)C1 938830985 LYMIILSOFJHLCE-NSHDSACASA-N 313.321 -0.009 30 20 DBED Cc1nc(CC(=O)N[C@@H]2CCN(C(=O)C#CC3CC3)C2)n[nH]1 940340087 ZRIZGUVYWJZBLX-GFCCVEGCSA-N 301.350 -0.214 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)c3cnnn3C)C2)cn1 941880010 ZSSWCOLRLBODIH-CYBMUJFWSA-N 324.344 -0.164 30 20 DBED C#CCN1CC[C@@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)C[C@@H]1C 947998710 NHOWCHYOGJGDPX-NWDGAFQWSA-N 320.393 -0.081 30 20 DBED CN(C(=O)c1cnon1)C1CN(C(=O)c2cc(C#N)c[nH]2)C1 955088558 NWMGNYKZIWIWMF-UHFFFAOYSA-N 300.278 -0.134 30 20 DBED CCc1cc(C(=O)NC[C@H]2CN(CC#N)C[C@H]2O)c(C)nn1 958283251 JAXBGUVDVXCRSL-SMDDNHRTSA-N 303.366 -0.107 30 20 DBED N#CCN1C[C@@H](O)[C@H](CNC(=O)c2ccc3nonc3c2)C1 958361244 TUHOREDYISHHEH-ZWNOBZJWSA-N 301.306 -0.231 30 20 DBED CCc1c(C(=O)NC[C@H]2CN(CC#N)C[C@H]2O)nnn1CC 958404704 PNMNQMMLOFSOSJ-CMPLNLGQSA-N 306.370 -0.594 30 20 DBED C#CCN1C[C@H](CNC(=O)c2cnn(CCOC)c2)[C@@H](O)C1 958635385 IOGFPCCEVVGBRF-JSGCOSHPSA-N 306.366 -0.815 30 20 DBED C=CCN1C[C@@H](O)[C@@H](CNC(=O)c2ccc(=O)n(CCC)n2)C1 958662536 VDCFLKQHVKYOCU-GXTWGEPZSA-N 320.393 -0.138 30 20 DBED C#CCN1CCC(C(=O)NC[C@H]2CN(CC#N)C[C@@H]2O)CC1 958723956 KWOMQIGZBXXTHL-GJZGRUSLSA-N 304.394 -0.736 30 20 DBED COCC(=O)N1CCO[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@@H]21 959895393 GPTAJJJYVBVIIR-QWHCGFSZSA-N 318.333 -0.415 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)CCc3cnn[nH]3)C[C@@H]2C1 962261233 USFDBTFVUGGZIM-SDDRHHMPSA-N 316.365 -0.186 30 20 DBED C=C(C)CCN1C[C@H]2[C@H](NC(=O)[C@H]3CCS(=O)(=O)N3)[C@H]2C1 962609351 SMBNQAFAZLLVGB-XQHKEYJVSA-N 313.423 -0.309 30 20 DBED CN1CCN(CC(=O)N(C)C2CCC(NCC#N)CC2)CC1=O 963582246 OQFUMUKJXPPFFY-UHFFFAOYSA-N 321.425 -0.357 30 20 DBED Cn1cc(C(=O)NC[C@H]2COCCN2C(=O)C#CC2CC2)cn1 964073296 TUFBDROTSDCQKG-AWEZNQCLSA-N 316.361 -0.209 30 20 DBED C=C1CCC(C(=O)NC[C@@H]2COCCN2C(=O)C(N)=O)CC1 964333042 ZNIGLHJEQGEJFS-GFCCVEGCSA-N 309.366 -0.438 30 20 DBED C#Cc1ccc(C(=O)N2CCC[C@H](NC(=O)C(N)=O)CC2)cn1 965142658 OIBUXDUXEDSUJA-ZDUSSCGKSA-N 314.345 -0.341 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CN(C(=O)Cn3cccn3)CCO2)C1 965308088 YNRKAUQUBGNVEQ-LBPRGKRZSA-N 317.349 -0.517 30 20 DBED C[C@H](C#N)C(=O)N1CC2(C1)CN(C(=O)[C@@]13COC[C@@H]1C3)CCO2 965392615 AYZHCYHUDVFEGO-WQGACYEGSA-N 319.361 -0.378 30 20 DBED CC#CCN1CC[C@@H](C)[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 966165656 GYYZUQBERKTHBU-VXGBXAGGSA-N 318.381 -0.773 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)Cn1cnnn1 966399421 LKXHURQKXMLLRI-ZYHUDNBSSA-N 302.338 -0.950 30 20 DBED CCN(C(=O)[C@H]1CN(C)C(=O)N1)C1CN(C(=O)C#CC2CC2)C1 968215298 WRFMPGZSXFWCAH-CYBMUJFWSA-N 318.377 -0.517 30 20 DBED C[C@H]1CCN(CC#N)C[C@@H]1NC(=O)c1nccnc1C(N)=O 968627937 QBQXWZSRFUAPTF-UWVGGRQHSA-N 302.338 -0.461 30 20 DBED C#CCN1CCC(C(=O)N[C@@H](C)C2CN([C@@H](C)C(N)=O)C2)CC1 970921037 OMQVAMNSDUUOKG-STQMWFEESA-N 320.437 -0.358 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)[C@H]3CN(C)CCO3)[C@H]2C1 976311186 NFIVUPONNIASPL-KIJLLGNVSA-N 306.366 -0.950 30 20 DBED C#CCCN1C[C@H](NC(=O)C2CC(=O)NC(=O)C2)C(C)(C)C1 977332726 ZSXICMXNVIFCKF-LBPRGKRZSA-N 305.378 -0.111 30 20 DBED C#CCN1C[C@@H]2C(CNC(=O)c3c(C)c(C)nn(C)c3=O)[C@H]2C1 978559500 IUHLBXKMHCCHEB-ZIAGYGMSSA-N 314.389 -0.062 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCCCC[C@@H](NC(=O)C(N)=O)C1 987159954 JEOXXWCIXCMZRH-UPJWGTAASA-N 323.393 -0.050 30 20 DBED C=CCn1cc(C(=O)NC2CN(C(=O)[C@]3(F)CCOC3)C2)nn1 991696708 ZMTWZUSFHMCEOI-AWEZNQCLSA-N 323.328 -0.467 30 20 DBED N#CCN[C@@H]1CCC[C@H]2CN(C(=O)CN3C(=O)CCC3=O)C[C@H]21 992916304 NKINRBAOFMEQCU-YNEHKIRRSA-N 318.377 -0.124 30 20 DBED COCCN1C[C@H](C(=O)N2C[C@H](NCC#N)C(C)(C)C2)CC1=O 995874295 UBKVDMCPIWHAQE-OLZOCXBDSA-N 322.409 -0.169 30 20 DBED C=C[C@@](C)(CC)C(=O)N1CC(NC(=O)[C@H]2CN(C)C(=O)N2)C1 997448150 NQPWSYOKLLOGRP-ABAIWWIYSA-N 308.382 -0.061 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)Cc2nnc(C)o2)C1 1000008426 BQWZQZQNZJKCFS-NEPJUHHUSA-N 320.349 -0.161 30 20 DBED C#CCCN1CC[C@@H](n2cc(CNC(=O)c3cnon3)nn2)C1 1000031784 AGHLRSIGEVOMGA-GFCCVEGCSA-N 315.337 -0.139 30 20 DBED C#CCOc1ncccc1C(=O)N1CCC[C@@H](NCC(N)=O)C1 1000727062 ZGUAHKCKSDFKMH-GFCCVEGCSA-N 316.361 -0.227 30 20 DBED C=C(C)CN1CCC(CNC(=O)c2cn(CC(N)=O)nn2)CC1 1002159209 PFHMOIITRFHGBB-UHFFFAOYSA-N 320.397 -0.219 30 20 DBED C#Cc1ccc(C(=O)NCC2CN(C(=O)c3cnnn3C)C2)nc1 1003468965 ZOORIJYSCOAPCR-UHFFFAOYSA-N 324.344 -0.307 30 20 DBED C=C1CC(C)(C(=O)N2CC(CNC(=O)[C@H]3CNC(=O)N3)C2)C1 1003950665 JZSMLWFWJSCTSZ-LLVKDONJSA-N 306.366 -0.401 30 20 DBED C[C@@H]1CCN(C(=O)CC(N)=O)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 1004720816 ALLZDHAIAHLSIB-BXKDBHETSA-N 317.349 -0.271 30 20 DBED C[C@@H](C#N)C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cc1nc[nH]n1 1006495670 UOFTWQZDJKFMMA-ZDCRXTMVSA-N 302.338 -0.245 30 20 DBED C#Cc1ccc(C(=O)N2CCN(C(=O)c3cn(C)nn3)CC2)cn1 1011084752 GGWSYBQSSKURNV-UHFFFAOYSA-N 324.344 -0.210 30 20 DBED CC#CCN1CC[C@@H](NC(=O)[C@@H]2CCc3nnc(O)n3C2)C1 1014996027 LLXHVJQLUOQRQH-VXGBXAGGSA-N 303.366 -0.240 30 20 DBED Cn1nnnc1CN[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 1018731120 NMMPFYDUCQUGKS-JTQLQIEISA-N 300.326 -0.586 30 20 DBED C=C(C)CN[C@H]1C[C@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)C1 1020668933 LILUPFPTPQHVFS-MGCOHNPYSA-N 308.338 -0.780 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]2CN(C(=O)c3nccnc3N)C[C@H]21 1022565269 UKNNCGVHPOETFC-OUAUKWLOSA-N 314.349 -0.109 30 20 DBED C=C(C)CN1CC(CNC(=O)C2CC3(C2)NC(=O)NC3=O)C1 1032047561 GVSBZJZWMCOSCF-UHFFFAOYSA-N 306.366 -0.401 30 20 DBED C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)Cn1ncn(C)c1=O 1032486574 SXIRVCSCBDQVSY-STQMWFEESA-N 305.382 -0.167 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN([C@@H]2CCN(C)C2=O)C1 1032827186 RTNMJWIBNFUKFA-SOUVJXGZSA-N 318.421 -0.495 30 20 DBED C#CCN1CCCC[C@H](NC(=O)c2cn(C)c(=O)nc2O)C1 1034523096 BCSLZDKMMJALFT-NSHDSACASA-N 304.350 -0.297 30 20 DBED C=CCCN1C[C@H]2C[C@H]1[C@H]2NC(=O)CN1CCCS1(=O)=O 1037425579 NPCBZVCEWRAYRA-DYEKYZERSA-N 313.423 -0.213 30 20 DBED O=C(NC[C@]1(O)CCN(C(=O)C#CC2CC2)C1)c1n[nH]cc1F 1040836638 ZPMHPHIIWKWSHZ-OAHLLOKOSA-N 320.324 -0.345 30 20 DBED Cn1ccc(C(=O)N[C@@H]2CN(c3ccnc(C#N)n3)C[C@H]2O)n1 1041053028 KJWQAHQQGSAOOD-GHMZBOCLSA-N 313.321 -0.939 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(c2cc(F)ncn2)C[C@H]1O 1041351004 YFTREKOZNFNOFZ-KKOKHZNYSA-N 322.340 -0.128 30 20 DBED C=CCN1CC[C@]2(CCN(C(=O)CN3CCN(C)C(=O)C3)C2)C1 1041420291 ADUKUVKDTDXKHL-KRWDZBQOSA-N 320.437 -0.129 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)[C@H]2CN(C)C[C@H]2C)C1 1041963767 ZDNYAGIRASASAD-OLZOCXBDSA-N 309.410 -0.160 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)CC[C@@H](C)OC)C1 1042039584 CUORVGCGOJAIPE-GFCCVEGCSA-N 314.382 -0.306 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)[C@H](C)C2CC2)C1 1042378415 RPIRTXGBOSLGEZ-GFCCVEGCSA-N 308.378 -0.238 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)c2nccc(C)n2)C1 1042833946 MQRRCRIULAUOIB-UHFFFAOYSA-N 320.349 -0.709 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CN(c3ncc(F)cn3)C[C@@H]2O)c[nH]1 1043877817 PQQUMMACJRTIMS-NEPJUHHUSA-N 316.296 -0.205 30 20 DBED CCO[C@@H](C(=O)N1CC(O)(CNC(=O)[C@H](C)C#N)C1)C(C)C 1045551328 HKZFJXPFYKKZRK-VXGBXAGGSA-N 311.382 -0.103 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cc(=O)c(OC)co2)C1 1047458541 SATYITPWGNVRRK-JQWIXIFHSA-N 306.318 -0.601 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)COC)C2 1047471853 LCYBAFLNOCIFTH-AVGNSLFASA-N 321.377 -0.732 30 20 DBED C=C(C)CN1C[C@H](O)[C@@H](N(C)C(=O)c2cnc(O)n(C)c2=O)C1 1047483764 RTWJUYSAIFWHEK-RYUDHWBXSA-N 322.365 -0.821 30 20 DBED C=CCCOCC(=O)N(C)[C@H]1CN(C(=O)c2cn[nH]c2)C[C@@H]1O 1049007787 QMDUDLFREGHOLH-STQMWFEESA-N 322.365 -0.354 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)Cc2ccn(C)n2)C[C@@H]1O 1049393416 AARBGTUZZRYHGL-WXHSDQCUSA-N 319.365 -0.848 30 20 DBED C=CCN1CC[C@H](NC[C@@H]2CN(C(=O)C(F)F)CCO2)C1=O 1051380948 PONTXEKXYAMYQC-MNOVXSKESA-N 317.336 -0.145 30 20 DBED C#CCN1CCN([C@H]2CCN(C(=O)c3cncnc3O)C2)CC1 1052040813 LDCAQAMZZCBJFJ-ZDUSSCGKSA-N 315.377 -0.353 30 20 DBED C#CCCCC(=O)N1C[C@H](C)[C@H](CNC(=O)CNC(N)=O)C1 1052472549 QENOCRRRGOEBMN-NWDGAFQWSA-N 308.382 -0.331 30 20 DBED C#CCCN1CC2(CC[C@H](CNC(=O)[C@@H]3COC(=O)N3)O2)C1 1053596169 MCIULTAGJWPWFP-NEPJUHHUSA-N 307.350 -0.532 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)[C@]3(C)CCC(=O)NC3)CO2)C1 1053903078 LXILSZZVNWNDJB-CZUORRHYSA-N 319.405 -0.115 30 20 DBED C=CCCC(=O)N1C[C@H]2CN(C(=O)CNC(=O)NC)C[C@H]2C1 1055238369 GBSWLBOXMFSXKD-TXEJJXNPSA-N 308.382 -0.202 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@](CO)(NC(=O)c2ccon2)C1 1055801571 OVZDCMPJLONQLW-HZMBPMFUSA-N 306.322 -0.082 30 20 DBED Cn1cc(CC(=O)NC2[C@H]3CN(c4cnc(C#N)cn4)C[C@H]23)cn1 1056147243 MKPPQXJPYKIACK-STQMWFEESA-N 323.360 -0.125 30 20 DBED Cn1ccc(CC(=O)NC2[C@H]3CN(c4ccc(C#N)nn4)C[C@H]23)n1 1056204390 RUSUBHXSWSZVOM-STQMWFEESA-N 323.360 -0.125 30 20 DBED N#Cc1cnc(N2C[C@H]3[C@H](NC(=O)CN4CCCC4)[C@H]3C2)cn1 1056224819 FTSAQTQRIDJBDT-VIKVFOODSA-N 312.377 -0.005 30 20 DBED Cc1ccc(C#N)c(N[C@@H]2CCN(C(=O)Cn3ncnn3)C2)n1 1056706678 AIKQWPVGEIWRLY-GFCCVEGCSA-N 312.337 -0.039 30 20 DBED N#Cc1nccc(N2CCCN(C(=O)[C@H]3CCC(=O)N3)CC2)n1 1057106391 TUZCVNZNBXTENV-LLVKDONJSA-N 314.349 -0.334 30 20 DBED C=CCCOCC(=O)NCCN(CCO)C(=O)[C@H](C)COC 1057192678 YHNGBTLOHKDQDG-CYBMUJFWSA-N 316.398 -0.201 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)c1cccc(O)n1 1057193617 LSKBZDMVIWOCIQ-UHFFFAOYSA-N 323.349 -0.460 30 20 DBED C=CCCCC(=O)NCCN(CCO)C(=O)CC(=O)NCC 1057396143 XZRXEWCVPZFGJV-UHFFFAOYSA-N 313.398 -0.194 30 20 DBED N#Cc1cncc(N2CCC[C@@H](NC(=O)Cc3nc[nH]n3)C2)n1 1058193623 BMCDNFZHCGVVLC-SNVBAGLBSA-N 312.337 -0.206 30 20 DBED N#Cc1nccc(N2C[C@@H]3CC[C@H](C2)N3C(=O)Cn2nccn2)n1 1058779203 GFSSETOMHMQKDM-TXEJJXNPSA-N 324.348 -0.180 30 20 DBED Cn1c(C(=O)N2CC[C@H](N=c3cc[nH]c(C#N)n3)C2)cccc1=O 1059060541 ZUBARNZDPZQZIZ-NSHDSACASA-N 324.344 -0.205 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](CCNC(=O)Cn2cnnn2)C1 1060288518 ANTFBJNTMDEAKP-MNOVXSKESA-N 305.342 -0.812 30 20 DBED C=CCO[C@@H](C)C(=O)NC[C@@H]1COCCN1C(=O)COCC 1061667257 BBWICHAYRDFCMA-QWHCGFSZSA-N 314.382 -0.042 30 20 DBED C[C@@H](C#N)C(=O)N1CCCC[C@@H]1CNC(=O)[C@H](C)NC(N)=O 1062333423 QOJSJJSLZDWLAC-GARJFASQSA-N 309.370 -0.300 30 20 DBED C[C@@]1(NC(=O)[C@H]2CNC(=O)N2)CCN(c2cnc(C#N)cn2)C1 1065324867 FZPFXYRZLDAMAV-QMTHXVAHSA-N 315.337 -0.885 30 20 DBED C[C@@]1(CNc2nccnc2C#N)CCN(C(=O)CC(N)=O)C1 1065403402 ZEUHWLFAMYTHQU-AWEZNQCLSA-N 302.338 -0.126 30 20 DBED C=C[C@H](CC)CC(=O)N1CC2(C[C@@H](NC(=O)C(N)=O)CO2)C1 1068993302 UXYCEFPUCIXUFG-GHMZBOCLSA-N 309.366 -0.440 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@]2(CCN(C(=O)CNC(N)=O)C2)C1 1069775486 BHFFCFDRXPBPDY-ABAIWWIYSA-N 321.381 -0.345 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)C23CCN(CC2)C3)C1 1070075882 FOYMQYPDVWUEBS-KGLIPLIRSA-N 314.393 -0.651 30 20 DBED C[C@H](C(=O)N1C[C@H](n2ccnn2)[C@H](NCC#N)C1)n1cccn1 1070154930 FJXRFHDEJJOOCC-UPJWGTAASA-N 314.353 -0.399 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CCCN(C(=O)CC(=O)NCC)C1 1070642712 SDTZECDQANNISP-QWHCGFSZSA-N 323.393 -0.342 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC[C@@H](NC(=O)c2cn(C)nn2)C1 1070726465 AJQVCQHCGVOVMF-NWDGAFQWSA-N 319.365 -0.426 30 20 DBED Cn1nccc1CC(=O)N1C[C@H]2C[C@@H]3CN(CC#N)C[C@]2(C1)O3 1070791301 BKNKCVGOFHPQIR-XNRPHZJLSA-N 315.377 -0.212 30 20 DBED C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1NC(=O)CNC(N)=O 1071926044 RTZZVZQTDHAXSZ-KCJUWKMLSA-N 318.337 -0.869 30 20 DBED C[C@H]1CN(C(=O)c2cnnn2C)C[C@@H]1NC(=O)CSCC#N 1072007868 XVKPJKVXALJDDW-UWVGGRQHSA-N 322.394 -0.351 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@@H]1C 1072014954 WPKIDOVEKBPGOK-WDEREUQCSA-N 307.354 -0.406 30 20 DBED C#CCN1C[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)CC[C@H]1C 1072034310 WBHIUFYIZHCMKZ-YPMHNXCESA-N 305.382 -0.507 30 20 DBED CC(=O)N1CCC[C@@H](C(=O)NC[C@H]2CN(CC#N)CCCO2)C1 1073684673 XJAAWCBSALQVKA-CABCVRRESA-N 322.409 -0.024 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CCN(C(=O)c2nnn(C)n2)C[C@H]1C 1073938577 OKZAHRAXVQZIGW-VXGBXAGGSA-N 318.381 -0.164 30 20 DBED Cc1[nH]nc(C(=O)N2CC[C@@H]3OCCN(CC#N)[C@@H]3C2)c1O 1074218936 HQTQZUZDHHBZCH-MNOVXSKESA-N 305.338 -0.137 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)CN3CCCNC3=O)C[C@@H]21 1074284994 UNPIQONUKGYFLP-UONOGXRCSA-N 320.393 -0.663 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)c3coc(C(N)=O)c3)C[C@H]21 1074302951 ZWCHYFVOBORDNP-OLZOCXBDSA-N 317.345 -0.073 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(C(=O)Cn2cncn2)[C@H](C)C1 1074891357 GBNZAYJKNWKVCQ-CHWSQXEVSA-N 321.381 -0.024 30 20 DBED C[C@@H](CCNC(=O)[C@H]1CCC(=O)N1)NC(=O)c1c[nH]c(C#N)c1 1075927133 UICGWOXXZIVVPL-JOYOIKCWSA-N 317.349 -0.210 30 20 DBED C[C@@H](CCNC(=O)c1ccc(C#N)[nH]1)NC(=O)Cc1nc[nH]n1 1076182106 STKBZYLRLWDUEP-VIFPVBQESA-N 315.337 -0.128 30 20 DBED COCC(=O)N(C)CC(=O)NCC[C@H](C)NC(=O)C#CC1CC1 1076888197 KXSOOPMBPNKXFV-LBPRGKRZSA-N 323.393 -0.484 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(Cc3cnon3)C[C@H]2O)cn1 1078032408 MMBZBFHRMGJRHY-ZIAGYGMSSA-N 313.317 -0.579 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)Cc2ccc3c(c2)COC3)C1 1078070839 ASHMFTMUZPTGAJ-HUUCEWRRSA-N 301.346 -0.056 30 20 DBED C[C@@H](CCNC(=O)CN1CCC(=O)NC1=O)NC(=O)[C@H](C)C#N 1078415397 ZNLHGDNGWXDIQK-ZJUUUORDSA-N 323.353 -0.901 30 20 DBED CCN(C(=O)C[C@@H]1CCC(=O)N1)C1CN(C(=O)[C@@H](C)C#N)C1 1080079574 SGKYLGGOCZCRPY-QWRGUYRKSA-N 306.366 -0.126 30 20 DBED C#CCOCCC(=O)N1C[C@H](CNC(=O)COCC=C)[C@@H](O)C1 1081347114 QUNPKGPTLKXHNX-KBPBESRZSA-N 324.377 -0.836 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(C(=O)C(F)F)C[C@@H]1O 1081489163 QOGYCCYMCUVNLE-ZJUUUORDSA-N 304.293 -0.773 30 20 DBED C=C(C)CCC(=O)NC[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@@H]1O 1081530990 MRSSOZDDECNANB-YPMHNXCESA-N 321.381 -0.280 30 20 DBED C=CCCCC(=O)NC[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1O 1081703783 UXQAZEGORGDIGU-GHMZBOCLSA-N 322.369 -0.885 30 20 DBED C#CCCN1C[C@@H](NC(=O)[C@@H]2CC(=O)N(CC)C2)[C@H](OC)C1 1081764687 YJKFHLLNNTZPNE-MGPQQGTHSA-N 307.394 -0.307 30 20 DBED C=C(C)CCN1C[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)[C@H](OC)C1 1081807414 MZIHOBYJXFHDMQ-QJPTWQEYSA-N 324.381 -0.634 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)C1 1083794448 UQPVTYBIYVLQNQ-YJNKXOJESA-N 302.378 -0.292 30 20 DBED C#CCCN1CC[C@H]1CN(C)C(=O)[C@H]1CN(C(C)=O)CCO1 1085952613 HMRYTQGWTDBUQC-LSDHHAIUSA-N 307.394 -0.210 30 20 DBED CCO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1CNCc1cnnn1C 1087036119 ZAESFEHKZMOFJJ-YRGRVCCFSA-N 320.397 -0.072 30 20 DBED C#CCCN1CC[C@H](NC(=O)Cn2nc(C)n(C)c2=O)[C@H]1C 1089013392 QSXHDKXIKHSALX-YPMHNXCESA-N 305.382 -0.507 30 20 DBED CCN(c1cncc(C#N)n1)[C@H](C)CNC(=O)[C@@H]1CCNC1=O 1089723043 NAIRRUUQQCKHRI-ZYHUDNBSSA-N 316.365 -0.185 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2cc3n(n2)CCO3)[C@H](O)C1 1090326303 HVKJDLWOEVJDRP-WCQYABFASA-N 304.350 -0.536 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2ccc3nnc(C)n3c2)[C@@H](O)C1 1090377333 IWKLHLWGZLZUOL-KGLIPLIRSA-N 313.361 -0.164 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2ccoc2CC(N)=O)[C@@H](O)C1 1090520613 QMJIRTRASWKPRK-STQMWFEESA-N 319.361 -0.504 30 20 DBED CSCC(=O)N[C@@H]1CCN(c2nccnc2C#N)C[C@H]1O 1092147726 IGQCUEXARDDGOY-MWLCHTKSSA-N 307.379 -0.233 30 20 DBED CCCC(=O)NCC(=O)N1CCN(c2cncc(C#N)n2)CC1 1093142468 MYSGKCDYIQSYKO-UHFFFAOYSA-N 316.365 -0.087 30 20 DBED Cc1nc(N2CCN(C(=O)CCNC(N)=O)CC2)ccc1C#N 1093155779 QBLZTUTTWVOHDL-UHFFFAOYSA-N 316.365 -0.031 30 20 DBED COC[C@@H](OC)C(=O)N1CCN(c2cnc(C#N)cn2)CC1 1093193797 ZTKYWNCSJRDYFN-GFCCVEGCSA-N 305.338 -0.342 30 20 DBED N#CCNC1CCC2(CC1)CN(C(=O)[C@@H]1CNC(=O)N1)CCO2 1093404121 QZCCADKMAMFMKO-AVERBVTBSA-N 321.381 -0.679 30 20 DBED N#Cc1cnc(NCCNC(=O)Cn2c(O)nnc2O)c(F)c1 1093779389 HRFSJEZLZCCKGE-UHFFFAOYSA-N 321.272 -0.677 30 20 DBED N#Cc1cnc(NCCNC(=O)[C@@H]2CC(=O)NC(=O)N2)c(F)c1 1094169195 VRRNTEPVJUQKRM-VIFPVBQESA-N 320.284 -0.781 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)c3n[nH]c(C)c3C)CC2=O)C1 1094714253 TZIMSUXWQAWCTC-GFCCVEGCSA-N 315.377 -0.325 30 20 DBED C#CCCN1CC(N2C[C@@H](NC(=O)[C@H]3CC[C@@H](C)O3)CC2=O)C1 1094788373 RMQOXZUXMFXKAV-VNHYZAJKSA-N 319.405 -0.022 30 20 DBED CNC(=O)CC(=O)N1CCC(Nc2cnc(C#N)cn2)CC1 1095224095 MZHUGVZFOQFPKX-UHFFFAOYSA-N 302.338 -0.113 30 20 DBED CCC(=O)NCC(=O)NCCCN(C)c1ccnc(C#N)n1 1095498560 VYAWGORYZIYQNE-UHFFFAOYSA-N 304.354 -0.183 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@@H](Nc2ncnc3c2nnn3C)C1 1097166186 UNJKIPJMDFXCAN-HLTSFMKQSA-N 300.326 -0.023 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H](C)Nc1cc(C)nc(OC)n1 1097768629 OTSCNULRFHAEGR-NSHDSACASA-N 319.365 -0.150 30 20 DBED C[C@@H](CNC(=O)c1cc(=O)n(C)o1)Nc1ccc(C#N)nn1 1097783353 VNQQGOIKLLZSBH-QMMMGPOBSA-N 302.294 -0.130 30 20 DBED C#CCCN(CCO)C1CCN(C(=O)CNC(=O)NC)CC1 1098385729 FFQQGJRFWQVJSC-UHFFFAOYSA-N 310.398 -0.776 30 20 DBED C[C@H](CCNC(=O)C1CS(=O)(=O)C1)N=c1cc[nH]c(C#N)n1 1099522866 WDJHVHCHHFFUNU-SECBINFHSA-N 323.378 -0.879 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)c2ccco2)[C@@H](O)C1 1099622602 AQGKQTQVBFFTMJ-NEPJUHHUSA-N 305.334 -0.806 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)C2=CCOCC2)[C@@H](O)C1 1099785906 JXTGFXCRTCFGCQ-CABCVRRESA-N 308.378 -0.466 30 20 DBED C=CCNC(=O)CNC1CC(CNC(=O)CC(=O)NCC)C1 1100264004 SQCGIMXXGYPORS-UHFFFAOYSA-N 310.398 -0.701 30 20 DBED C=CCNC(=O)CNC1CC(CNC(=O)Cc2cncn2C)C1 1100872977 QFMDEIZBWAGEBE-UHFFFAOYSA-N 319.409 -0.251 30 20 DBED CCNC(=O)CC(=O)NC[C@@H]1CCN(c2cnc(C#N)cn2)C1 1100976034 UWAZPMYHJZGMPQ-NSHDSACASA-N 316.365 -0.183 30 20 DBED COCC#CCN1C[C@@H]2CN(C(=O)CNC(=O)OC)C[C@]2(C)C1 1101144451 NWCGOSUEPACNLX-CJNGLKHVSA-N 323.393 -0.228 30 20 DBED C=CCOCCN1CC2(C[C@@H](NC(=O)C(N)=O)c3nccn32)C1 1101640885 GEXDWQLWLKJNIF-LLVKDONJSA-N 319.365 -0.857 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(CCOCCO)C[C@H]1C 1101818497 STXAHCIVCKDJIN-ZIAGYGMSSA-N 300.399 -0.118 30 20 DBED CCc1nc(C#N)cc(NCCN(C)C(=O)[C@@H]2CNC(=O)N2)n1 1101921235 HGDZDUTXQTVPHH-JTQLQIEISA-N 317.353 -0.538 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)CN2CCCC2)C1 1102579579 FMOMPHIDXFMQQJ-HUUCEWRRSA-N 320.437 -0.484 30 20 DBED C[C@@H](CNc1cncc(C#N)n1)N(C)C(=O)[C@H]1COCCN1C 1104526742 HDFDXBLEGDDYPA-WCQYABFASA-N 318.381 -0.062 30 20 DBED CC(C)[C@H](CNC(=O)C1(C(N)=O)CC1)N=c1cc[nH]c(C#N)n1 1105271440 HWSDNELQXWUCEE-JTQLQIEISA-N 316.365 -0.412 30 20 DBED CC#CCNCc1cn(C2CN(C(=O)[C@H](C)CC(N)=O)C2)nn1 1105301167 JUUIUFMDXPWNSS-LLVKDONJSA-N 318.381 -0.714 30 20 DBED CN(CCN(C)c1cnc(C#N)cn1)C(=O)Cn1cncn1 1105403433 AQHVMQGSCJFTMX-UHFFFAOYSA-N 300.326 -0.465 30 20 DBED N#Cc1cccnc1NC[C@@H](O)CNC(=O)c1ccc(O)nn1 1105735721 YBQHUXOTNXDJSW-SNVBAGLBSA-N 314.305 -0.348 30 20 DBED Cc1cc(NC[C@@H](O)CNC(=O)[C@H](C)C#N)n2ncnc2n1 1105773772 NCAHVDIGJQFSJU-PSASIEDQSA-N 303.326 -0.519 30 20 DBED COCCOCC(=O)NC[C@@H](O)CNc1ccc(C#N)c(C)n1 1105774465 SDOPDENFGVNBLW-ZDUSSCGKSA-N 322.365 -0.186 30 20 DBED Cn1oc(C(=O)NC[C@@H](O)CNc2ncccc2C#N)cc1=O 1105797365 XPVCYVLSMHKWKF-JTQLQIEISA-N 317.305 -0.552 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](O)CNC(=O)c2[nH]cnc2C)n1 1105888136 MWRINOCQOQQXQY-NSHDSACASA-N 315.337 -0.109 30 20 DBED CN(C)C1(C(=O)NC[C@H](O)CNc2ccc(C#N)nn2)CCC1 1106004396 QTAIYRVWBBTKKH-GFCCVEGCSA-N 318.381 -0.278 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H](C)CCNc1ccc2nnnn2n1 1106443191 TWIJRHZMUHWLIZ-GHMZBOCLSA-N 317.353 -0.136 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)[C@@H]1CN(C)C(=O)N1 1106906799 HLPRIBJGRCVOBK-JTQLQIEISA-N 317.353 -0.946 30 20 DBED C=C[C@](C)(O)CC(=O)NC/C=C\CNc1ccc2nnnn2n1 1107148013 AKNLKKOKFYKYAN-WSNITJDQSA-N 317.353 -0.069 30 20 DBED N#Cc1cnc(NC/C=C\CNC(=O)C2(C(N)=O)CC2)cn1 1107480862 WCRZCIYSGKSFLM-UPHRSURJSA-N 300.322 -0.302 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)[C@@H]1CN(C)CCO1 1107667612 ZNOFTXJUAXVAQU-MNOVXSKESA-N 304.354 -0.983 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCO[C@](C)(CNC(=O)C2CC2)C1 1107675202 IDDDWFHRPHNCFO-MLGOLLRUSA-N 307.394 -0.259 30 20 DBED CCN1CCO[C@H](C(=O)N[C@H](C)CNc2cncc(C#N)n2)C1 1107775946 JPIMEHUPDSZPTI-YPMHNXCESA-N 318.381 -0.014 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1108093911 IYBIDAFLRXFVTG-MPTYRVRUSA-N 322.405 -0.122 30 20 DBED C[C@H](CNc1cncc(C#N)n1)NC(=O)c1cn(C)c(=O)cn1 1108216873 FEZGZCLDBNRSDY-SECBINFHSA-N 313.321 -0.328 30 20 DBED C=CCN1CCO[C@@](C)(CNC(=O)[C@@H](C)NS(C)(=O)=O)C1 1108241482 BTBMQBNFSGQZMS-YPMHNXCESA-N 319.427 -0.683 30 20 DBED C[C@]1(CNC(=O)COC[C@H]2CCOC2)CN(CC#N)CCO1 1108253529 LPLPHNZMPQYVRG-ZFWWWQNUSA-N 311.382 -0.230 30 20 DBED CCC[C@@H](NC(N)=O)C(=O)NC[C@]1(C)CN(CC#N)CCO1 1108367328 DESXVXOEHRVGDX-BXUZGUMPSA-N 311.386 -0.446 30 20 DBED CNC(=O)NC(C)(C)C(=O)NC[C@]1(C)CN(CC#N)CCO1 1108417507 CKQOQCDUNAUCCI-CQSZACIVSA-N 311.386 -0.575 30 20 DBED COCCCCC(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1 1108522903 YMRDBBMYIMKECX-GFCCVEGCSA-N 308.382 -0.272 30 20 DBED C#CCCN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1c(O)nnc1O)C2 1108809675 GGWJIMKCMDPVNE-SRVKXCTJSA-N 319.365 -0.318 30 20 DBED CNC(=O)NCCC(=O)N[C@@H](C)CN(C)c1cncc(C#N)n1 1108935292 SMBZLBAMKRVIHK-JTQLQIEISA-N 319.369 -0.392 30 20 DBED CNC(=O)NCCC(=O)N[C@H](C)CN(C)c1cncc(C#N)n1 1108935293 SMBZLBAMKRVIHK-SNVBAGLBSA-N 319.369 -0.392 30 20 DBED C[C@H](CN(C)c1ccc(C#N)nc1)NC(=O)[C@H]1CNC(=O)N1 1109210623 DVDBVAVBPHKHHP-BXKDBHETSA-N 302.338 -0.424 30 20 DBED CC(C)NC(=O)CN(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC#N 1109488272 NZOWHFOMEXNRFU-RDBSUJKOSA-N 321.425 -0.312 30 20 DBED Cc1cc(=NC2(CNC(=O)[C@@H]3COC(=O)N3)CC2)c(C#N)c[nH]1 1110121622 HYXDOXDGJPYTSB-LBPRGKRZSA-N 315.333 -0.147 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2[C@@H](C)COC 1110465610 LLYGJPSACFFYKR-DGAVXFQQSA-N 307.394 -0.118 30 20 DBED COCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCC#N)CC1 1110806406 OOAHJCQHTHMZPL-UPJWGTAASA-N 320.393 -0.226 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H](CCC(N)=O)NC(C)=O 1111151944 MUGUEZWUFZAGKK-SYQHCUMBSA-N 320.393 -0.889 30 20 DBED N#Cc1c[nH]ccc1=NCCN(CCO)C(=O)CN1CCCC1 1111476528 MRUZQKDPKFOHMT-UHFFFAOYSA-N 317.393 -0.296 30 20 DBED CCOCC(=O)NC[C@@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1112691240 DHJBURSMASUTDN-PWSUYJOCSA-N 305.338 -0.702 30 20 DBED C#CCNC(=O)CC(=O)N1CCN(Cc2nccc(C)n2)CC1 1112773928 BRXZGZVNBRQPOH-UHFFFAOYSA-N 315.377 -0.431 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)c3cccnc3)[C@@H]2C1 1113777060 CYTBUEWDXMYUMY-IACUBPJLSA-N 312.373 -0.121 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)c3cnc(C)[nH]3)[C@@H]2C1 1114041934 UFHRHISHAVYRBH-MVWJERBFSA-N 315.377 -0.484 30 20 DBED C=CCOCCN1C[C@H]2[C@H](NC(=O)[C@@H]3CN(C)CCO3)[C@H]2C1 1114091120 QULOXZLKWCVAHD-LJISPDSOSA-N 309.410 -0.434 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@@H]2CN(C[C@H](CC)OC)C[C@@H]12 1114160493 ZGRFRHPBJQBODP-YNEHKIRRSA-N 307.394 -0.403 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)CC3(O)CCC3)[C@H]2C1 1114239599 JDTBEQSOGVARRI-RYUDHWBXSA-N 307.394 -0.360 30 20 DBED C#CCOCCC(=O)NC1[C@H]2CN(Cc3cn(CC)nn3)C[C@H]12 1114268225 HYYCBONOZQOYBI-KBPBESRZSA-N 317.393 -0.116 30 20 DBED C=CCOCCN1C[C@H]2C(NC(=O)c3cn(C)c(O)n3)[C@@H]2C1 1114772203 NLCSGCGYRRMNIB-GHMZBOCLSA-N 306.366 -0.012 30 20 DBED C#CCCN1C[C@H]2[C@H](NC(=O)CC[C@H]3NC(=O)NC3=O)[C@H]2C1 1115216802 JOOSKUQIRWGIGI-XZUYRWCXSA-N 304.350 -0.956 30 20 DBED C#CCCN1C[C@H]2[C@H](NC(=O)C(=O)Nc3cc(C)on3)[C@H]2C1 1115231964 OYVJMVPBWFANBA-PJXYFTJBSA-N 302.334 -0.009 30 20 DBED CC(C)C(=O)NCCNC(=O)CCN/C(O)=C1/N=CC=CC1=O 1116067092 INZPKSVEJBQJQR-SQFISAMPSA-N 322.365 -0.209 30 20 DBED Cc1ncc(C(=O)NC[C@@H](CO)Nc2cnc(C#N)cn2)[nH]1 1121234923 JQGIBQFHWJVVQR-JTQLQIEISA-N 301.310 -0.417 30 20 DBED CC[C@@H](C(=O)NC[C@H](CO)N=c1cc[nH]cc1C#N)N(C)C 1121812046 IPVIBKPPVDJDIM-OCCSQVGLSA-N 305.382 -0.396 30 20 DBED N#Cc1cncc(N[C@@H](CO)CNC(=O)c2cnnc(O)c2)n1 1122158444 PLZAPGHOWKNILW-SNVBAGLBSA-N 315.293 -0.953 30 20 DBED C#CCNC1CC2(C1)CC(NC(=O)CC[C@H]1NC(=O)NC1=O)C2 1122162892 WSESTKFPNBTUQO-FUQGYSAHSA-N 318.377 -0.375 30 20 DBED N#Cc1nccnc1N[C@H](CO)CNC(=O)c1cncnc1O 1122170924 VHLJPZXDFJLYJT-QMMMGPOBSA-N 315.293 -0.953 30 20 DBED CO[C@@H](C(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1)C1CCC1 1122364864 PGJDTKMIVCBLJF-SMDDNHRTSA-N 319.365 -0.526 30 20 DBED CN(C[C@@H](O)CNc1ncc(C#N)cc1F)C(=O)CC(N)=O 1124200202 LNPUIESYUXOTDF-VIFPVBQESA-N 309.301 -0.801 30 20 DBED C#CCNC(=O)CC(=O)N(C)C[C@H](O)CNc1ccc(C)nn1 1124314956 MSIVIGJUYCKGJX-GFCCVEGCSA-N 319.365 -0.844 30 20 DBED C=CCCO[C@@H](C)C(=O)NCCNC[C@H](O)Cn1cccn1 1124495471 PDXKAOBVTFSBFA-KBPBESRZSA-N 310.398 -0.069 30 20 DBED CN(C[C@@H](O)CN(C)c1cnc(C#N)cn1)C(=O)[C@@H]1CCOC1 1124995037 OKTXJSXFUNBOJK-YPMHNXCESA-N 319.365 -0.360 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)Cn1nccn1 1128279966 RZQAGTJUODLNDN-UHFFFAOYSA-N 306.370 -0.816 30 20 DBED C=C(C)[C@@H](CC(=O)NCCNCCNS(C)(=O)=O)OCC 1128540194 RTMKBOGVPODOSR-GFCCVEGCSA-N 321.443 -0.387 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CCCN(C(C)=O)C1 1131016392 FODBZLOEUZJTEG-OCCSQVGLSA-N 324.425 -0.359 30 20 DBED C=C(C)CN1CCNC(=O)CCN(C(=O)CN(C)C(C)=O)CC1 1131334021 JKGLPIIQVXLWKQ-UHFFFAOYSA-N 324.425 -0.309 30 20 DBED CC(C)C(=O)N1C[C@@H](C)O[C@@]2(CCN(CC(=O)NCC#N)C2)C1 1131628654 IKVNIHLCICTSNI-CZUORRHYSA-N 322.409 -0.026 30 20 DBED COCC#CCNCCNC(=O)c1cn(C)nc1[C@@H]1CCOC1 1131913185 KDRBGSLBBAVAIQ-CYBMUJFWSA-N 320.393 -0.107 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)c1c(O)nnc(C)c1C 1132191635 PJQZGVMFDUZWRO-LLVKDONJSA-N 321.381 -0.191 30 20 DBED C[C@H]1CCN(C(=O)Cn2ccc(O)nc2=O)C[C@@H]1CNCC#N 1132960446 UWKKWXFTEXKUNI-RYUDHWBXSA-N 319.365 -0.453 30 20 DBED C#CCNC(=O)CNCCNC(=O)Cc1ccncc1Cl 1133853271 HOQUNUAWFXVYNB-UHFFFAOYSA-N 308.769 -0.267 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC2(CN(C(=O)[C@@H](C)COC)C2)C1 1147219441 XGAWUILSYIWCBT-KBPBESRZSA-N 321.421 -0.059 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)[C@@H]1CO[C@@H](C)C1)C2 1147811807 SBLJRAZXMXEQIU-KBPBESRZSA-N 319.405 -0.305 30 20 DBED CN(C)S(=O)(=O)CC(=O)NCCNCc1ccccc1C#N 1149432135 ICXYCALJSNZLKG-UHFFFAOYSA-N 324.406 -0.345 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)[C@H]1CCCN1C(C)=O 1152777245 ISBYZBZMNQHSDN-WCQYABFASA-N 310.398 -0.606 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)[C@]1(C)CCOC1 1156035806 HNCYECUQSAQHOH-IUODEOHRSA-N 310.398 -0.121 30 20 DBED CCN(CC#CCOC)[C@H](C)CNC(=O)C(=O)NCC1CC1 1156051449 LWSLOJRTVSHPFT-CYBMUJFWSA-N 309.410 -0.011 30 20 DBED C=CCNC(=O)[C@@H](C)NCC1(CCNC(=O)CC(N)=O)CC1 1163899739 LBCZWIZYHDEDKK-LLVKDONJSA-N 310.398 -0.571 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)C2(C(N)=O)CC2)C1=O 1165605505 ZFPMIXWKVADQCE-LLVKDONJSA-N 308.382 -0.865 30 20 DBED C=CCNC(=O)CNCC1(CCNC(=O)Cn2cncn2)CC1 1168004721 XNHXDYGPVUOKIW-UHFFFAOYSA-N 320.397 -0.544 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)Cc2nnc(C)o2)[C@H]1C 1178615008 DLZXFJSNGYAETB-JQWIXIFHSA-N 319.365 -0.751 30 20 DBED C[C@H]1[C@@H](NCC#N)CCN1C(=O)CNC(=O)c1ccncc1 1178753618 QITCXGPNIQKHKZ-AAEUAGOBSA-N 301.350 -0.086 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H](C)OCC(C)C)C1 1181359466 XMURLTZCUDJXMM-UONOGXRCSA-N 309.410 -0.013 30 20 DBED C#CCNC[C@H]1CCN(C(=O)CN2C(=O)CN(C)C2=O)C[C@@H]1C 1185642913 VPINPCAPKUBVFB-QWHCGFSZSA-N 320.393 -0.412 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2ccncn2)C1 1186465286 FKEDHRIWYSYAOH-NWDGAFQWSA-N 303.366 -0.029 30 20 DBED N#CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3cnccn3)[C@@H]2C1 1186676562 JEANLRKOCIWKGX-WCQYABFASA-N 314.349 -0.737 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)c2cncc(F)c2)C1 1192154962 LKJAQPLUPNAJDF-ZIAGYGMSSA-N 307.325 -0.355 30 20 DBED Cn1[nH]c(CN2CCCN(C(=O)CSCC#N)CC2)nc1=O 1194913017 NIKYGSUYUHCYQY-UHFFFAOYSA-N 324.410 -0.601 30 20 DBED C#CCN1CCCN(C(=O)CCCn2c(O)nnc2O)CC1 1196366612 NWJDLMOCVCGUPD-UHFFFAOYSA-N 307.354 -0.363 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)C2(S(C)(=O)=O)CCC2)C1 1197350439 UVXIGTXAQGLYGY-VXGBXAGGSA-N 314.407 -0.862 30 20 DBED C[C@H](C#N)C(=O)N1CCCO[C@H](CNCCN2CCCC2=O)C1 1200116678 ZXYNOJZLMYSYMC-ZIAGYGMSSA-N 322.409 -0.024 30 20 DBED N#Cc1ccc(C(=O)N2CCCO[C@@H](CNCC(N)=O)C2)[nH]1 1200281180 HZGSPMLIQTUOME-NSHDSACASA-N 305.338 -0.808 30 20 DBED C=CCNC[C@@H]1CN(C(=O)CN2C(=O)CN(C)C2=O)CCCO1 1202012842 AVIAGEGQOXMBMQ-GFCCVEGCSA-N 324.381 -0.727 30 20 DBED N#CCNC(=O)CNC1CCN(C(=O)Cc2ncc[nH]2)CC1 1203052053 KFMMTIRCAZCONK-UHFFFAOYSA-N 304.354 -0.827 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)[C@H](C)CC(N)=O)CC1 1205873458 RUYBJNSVZQNECK-GFCCVEGCSA-N 322.409 -0.925 30 20 DBED CCc1nc(C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@H]2C)co1 1206894373 HNENDMXGKJDGFV-GHMZBOCLSA-N 319.365 -0.073 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@H](Cc2cnc[nH]2)NC(C)=O)[C@H](C)C1 1208482526 GRPYTFRNKVSSHU-BYCMXARLSA-N 317.393 -0.473 30 20 DBED Cc1ncc(C(=O)N2CCC[C@@H](NCC(=O)NCC#N)C2)n1C 1209252559 WYKAYBOAYSBYFG-GFCCVEGCSA-N 318.381 -0.438 30 20 DBED C#CCCN[C@@H]1CCCN(C(=O)CN2CC(=O)N(C)C2=O)C1 1210654085 CQESXWIDSCJJAT-GFCCVEGCSA-N 306.366 -0.516 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)C[C@H]2CCCOC2)[C@H](C)C1 1211059857 FNRSOSQISWBWQT-RBSFLKMASA-N 321.421 -0.011 30 20 DBED CCN(CCC#N)C(=O)CN1C[C@@H](NC(=O)C2CC2)[C@H](OC)C1 1211742079 VWEDIUFJMBJGGG-ZIAGYGMSSA-N 322.409 -0.026 30 20 DBED C#CCOCCC(=O)N1C[C@@H](NCc2cn(C)nn2)[C@H](C)C1 1214609050 XKGUFJSCFAYNJE-TZMCWYRMSA-N 305.382 -0.209 30 20 DBED C[C@@H]1CN(C(=O)CNC(=O)c2ccccn2)C[C@H]1NCC#N 1216823315 XYTJAVWRCMIGAN-DGCLKSJQSA-N 301.350 -0.229 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)CCc2ccncn2)C1 1219722247 ZWSZOQISUMEDSX-CABCVRRESA-N 318.377 -0.780 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C/C=C(/C)C=C)C1 1220168958 BVZRSBLZWIWKGZ-QQKWEAIHSA-N 307.394 -0.028 30 20 DBED CC1(C)CC[C@@H](C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@@H]2O)C1 1220311574 WJPJMQLQKFTASM-UPJWGTAASA-N 322.409 -0.386 30 20 DBED CC(C)CC(C)(C)C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@@H]1O 1220717285 ISZRMRLYZQCIAA-OLZOCXBDSA-N 324.425 -0.140 30 20 DBED C=CCO[C@H](C)C(=O)N1CCC[C@@H](NCc2nnnn2C)C1 1222067702 LNUCLWKIYWWNFI-VXGBXAGGSA-N 308.386 -0.118 30 20 DBED C=CCO[C@H](C)C(=O)N1C[C@H]2CCN(CC(=O)NC(N)=O)C[C@H]21 1222069607 TUKADYQUUHAYTA-IJLUTSLNSA-N 324.381 -0.695 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)CCOCC#C)CC1 1227323459 UISNOHFGLJLRDQ-UHFFFAOYSA-N 305.378 -0.644 30 20 DBED C#CCNC(=O)CN(C)CCCNC(=O)c1cnc(C)cn1 1231411634 UYFMVGGMMAJZKE-UHFFFAOYSA-N 303.366 -0.414 30 20 DBED CC[C@H](C)OCC(=O)N(C)C[C@H]1CCN1CC(=O)NCC#N 1233714310 BNRMPRVJSPNUEI-QWHCGFSZSA-N 310.398 -0.026 30 20 DBED C=CCS(=O)(=O)CCn1nnnc1N1CCO[C@@H](C)C1 1262423928 BEKRECAEKRRUST-JTQLQIEISA-N 301.372 -0.501 30 20 DBED C=CCCOCCNC(=O)C(=O)NC1COC(C)(C)OC1 1322901875 YMHJRWNZWAGCFN-UHFFFAOYSA-N 300.355 -0.037 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1 1323307287 LYNDBQFBSZOSFU-NWDGAFQWSA-N 321.381 -0.568 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N(C)CCNC(=O)N(C)C 1323529164 WWHBYIBSOVOPDK-SNVBAGLBSA-N 300.359 -0.967 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N[C@H]1CCN(C(=O)OCC)C1 1323529442 ZKLXOHORZXBHOF-MNOVXSKESA-N 313.354 -0.349 30 20 DBED C=CCN(C(=O)C(=O)N1CCN(C(=O)N(C)C)CC1)C1CC1 1326230409 CJVYDFZZAVVREG-UHFFFAOYSA-N 308.382 -0.011 30 20 DBED CC1(C)[C@H](NC(=O)C(=O)N2CC[C@](O)(CC#N)C2)[C@H]2CCO[C@H]21 1329350404 YIYIHOKXGDTRLO-DSZLRUIBSA-N 321.377 -0.207 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCC(CC(=O)OC)CC1 1331632307 HKLHGRHMIJOJCM-UHFFFAOYSA-N 310.350 -0.446 30 20 DBED Cc1cc(NC(=O)C(=O)N(C)[C@@H]2CCNC2=O)ncc1C#N 1332892984 LWVYUMSPZCNILQ-SNVBAGLBSA-N 301.306 -0.453 30 20 DBED C=CCCOCCNC(=O)C(=O)N[C@H]1CCCN(CC)C1=O 1334901984 JEFQGULSLBBBQN-LBPRGKRZSA-N 311.382 -0.178 30 20 DBED C=CCSCCn1nnnc1N1CCN2C(=O)NC[C@H]2C1 1335241888 FKIRYWBDLQNIQW-JTQLQIEISA-N 309.399 -0.194 30 20 DBED C=CCNC(=O)Cn1nnnc1N1CCCc2c(cnn2C)C1 1335435596 ATLDHCJAOJWNOV-UHFFFAOYSA-N 316.369 -0.338 30 20 DBED C=C[C@@](C)(O)Cc1nc(CCN(C)S(=O)(=O)N(C)C)no1 1338325527 AFDIDCDSRJIKSE-GFCCVEGCSA-N 318.399 -0.170 30 20 DBED C=CCN1CCC(NC(=O)N2CCN(C(=O)C(=O)O)CC2)CC1 1339711524 YUQBSZGJTPBWMJ-UHFFFAOYSA-N 324.381 -0.425 30 20 DBED C#C[C@@H](NC(=O)C(=O)NCCn1cnnc1CC)[C@@H]1CCCO1 1342540872 OXRMYNGBHXBTPT-NEPJUHHUSA-N 319.365 -0.746 30 20 DBED CCc1cc(NC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)nn1C 1345810504 RGSCOWLNOWLWGJ-AWEZNQCLSA-N 305.338 -0.202 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCCN(CCC)C(=O)C1 1346544166 RLUCRQWMXOMTHL-UHFFFAOYSA-N 309.366 -0.777 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N1CCC(C(N)=O)CC1 1350309734 PSNAQPIUASORSZ-UHFFFAOYSA-N 309.366 -0.791 30 20 DBED C#CCSCCn1nnnc1N1CCC(CO)(CO)CC1 1352341374 YQFYLZLVAIQJPF-UHFFFAOYSA-N 311.411 -0.389 30 20 DBED CN[C@@H](C)CCNC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1353302774 MDRCFVXEWKLUIZ-WCQYABFASA-N 307.398 -0.701 30 20 DBED CC1(C)CC[C@H](CO)N(C(=O)Cn2cc(C#N)c(O)nc2=O)C1 1362976264 ZGPBJDISBVEMEZ-LLVKDONJSA-N 320.349 -0.170 30 20 DBED N#Cc1cn(CCC(=O)NC[C@H](O)C2CCC2)c(=O)nc1O 1363053588 CVVMZERBIZYIEC-NSHDSACASA-N 306.322 -0.512 30 20 DBED Cc1cc(F)cc(C#N)c1S(=O)(=O)N1C[C@@H](O)[C@H](CO)C1 1364002988 OFMGDHNPSFXFKX-CMPLNLGQSA-N 314.338 -0.021 30 20 DBED COc1ccc(CNc2[nH]c(=O)n(C)c(=O)c2C#N)c(OC)n1 1364563473 VHFFNQWSLWDUPQ-UHFFFAOYSA-N 317.305 -0.030 30 20 DBED CCOC(=O)CC1(NS(=O)(=O)N(C)CCC#N)COC1 1364977033 SIUVHAKPDISOSL-UHFFFAOYSA-N 305.356 -0.612 30 20 DBED N#Cc1ncn(CCNC(=O)N2CC[C@@H](n3cncn3)C2)n1 1365157335 XFHBLNYVMMAHIG-SNVBAGLBSA-N 301.314 -0.602 30 20 DBED Cc1nn[nH]c1C(=O)N[C@@H](C)CNC(=O)c1ccc(C#N)[nH]1 1392985021 QBXOQXKYRUWLGG-ZETCQYMHSA-N 301.310 -0.139 30 20 DBED C[C@@H](C#N)C(=O)NC1CN(C(=O)c2ccn(CCN(C)C)n2)C1 1398677595 BYLAVTREPGLAKI-NSHDSACASA-N 318.381 -0.455 30 20 DBED C[C@H](C(=O)N[C@H](CC(N)=O)C1CCOCC1)n1cnc(C#N)n1 1416148284 SAASVMPSBBWZSH-MWLCHTKSSA-N 320.353 -0.502 30 20 DBED CNC(=O)NCCC(=O)NCCN(C(=O)[C@H](C)C#N)C1CC1 1429894201 PKEOSOJJUAJXOI-SNVBAGLBSA-N 309.370 -0.428 30 20 DBED CCN(CCNC(=O)CN(C)S(C)(=O)=O)C(=O)[C@H](C)C#N 1431639056 JAXQUEKZRSHENA-SNVBAGLBSA-N 318.399 -0.998 30 20 DBED C[C@H](NC(N)=O)C(=O)N1CCC(N(C)C(=O)[C@H](C)C#N)CC1 1443564408 OUHUMMOFQZLGEQ-ZJUUUORDSA-N 309.370 -0.348 30 20 DBED COCCN(CCNC(=O)C[C@H]1CCC(=O)N1)C(=O)[C@@H](C)C#N 1444972222 FKJDLYVTPGQIBO-NWDGAFQWSA-N 324.381 -0.594 30 20 DBED C[C@@H](CNC(=O)c1ccc(C(N)=O)cn1)NC(=O)[C@@H](C)C#N 1448026673 AHTDUSXXGAJDQE-IUCAKERBSA-N 303.322 -0.425 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@H](CO)[C@H]1CCOC1 1463432008 QHZOZPJQDGGLBN-NWDGAFQWSA-N 321.399 -0.920 30 20 DBED COC(=O)C1(C#N)CCN(C(=O)[C@H](C)NS(C)(=O)=O)CC1 1467991157 ISEWYNWZLBQPNR-VIFPVBQESA-N 317.367 -0.771 30 20 DBED C=CCNC(=O)[C@H](C)N1CC[C@H](NC(=O)C2(C(N)=O)CC2)C1 1479962452 VAHQBBMPEVCOPT-QWRGUYRKSA-N 308.382 -0.867 30 20 DBED C=C(Cl)CNC[C@@H](O)CNC(=O)CCN1CCOCC1 1497078398 XRBNKTQPSMSFRU-GFCCVEGCSA-N 305.806 -0.472 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C(=O)[C@@H]1CCC(=O)N1C)C1CC1 1529854685 WOIJXXNKANOBBC-JQWIXIFHSA-N 306.366 -0.126 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]2CCC(=O)N2)CC1 1531906727 SUXYPDLOTOOHGY-BJDJZHNGSA-N 306.366 -0.032 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1n[nH]c2c1CCC2 1533299721 ONEWSHXEQZRJFP-DTWKUNHWSA-N 305.338 -0.735 30 20 DBED N#CCNC(=O)CN[C@H]1CCN(C(=O)CC2CCOCC2)C1 1566761951 DNVHIWUTNZJFEV-ZDUSSCGKSA-N 308.382 -0.367 30 20 DBED Cc1c(C(=O)N[C@H]2CN(C(=O)O)C[C@@H]2CO)cnn1CCC#N 1574114832 ZWDYXBJZXGMEEB-PWSUYJOCSA-N 321.337 -0.194 30 20 DBED N#CCN(Cc1cnn[nH]1)C(=O)CC[C@H]1CC[C@@H](C(N)=O)O1 1577706720 QLBIRVRBGAMBST-MNOVXSKESA-N 306.326 -0.530 30 20 DBED N#Cc1ncc(N2CCc3nnc(O)cc3C2)nc1-c1nn[nH]n1 1581882884 KNLYRSZNZVUVNR-UHFFFAOYSA-N 322.292 -0.413 30 20 DBED C#CCn1cc(CNC(=O)c2cccn(CC(=O)O)c2=O)cn1 1588434082 ZBWYEKIAYIMNSC-UHFFFAOYSA-N 314.301 -0.307 30 20 DBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@H]1CC[C@@H](C(=O)O)O1 1598484800 GXSUZERAIZXPGN-MNOVXSKESA-N 321.337 -0.113 30 20 DBED COC(=O)[C@H](CC(=O)O)NS(=O)(=O)c1ccsc1C#N 1598695181 PVUCGPKQSULZNN-LURJTMIESA-N 318.332 -0.086 30 20 DBED N#CCN1CCC(NS(=O)(=O)[C@H]2C[C@@H](C(=O)O)C2)CC1 1601074804 RGVHJUQTOUNYQU-JGZJWPJOSA-N 301.368 -0.243 30 20 DBED C#C[C@@H]1COCCN1C(=O)NCc1nc(-c2nn[nH]n2)cs1 1602696136 BUCDCYWDVCWIPT-MRVPVSSYSA-N 319.350 -0.133 30 20 DBED Cc1cccnc1NC(=O)Cn1c(N)nc(C#N)c1-c1nn[nH]n1 1605948184 UTDMYDIRXDPLLU-UHFFFAOYSA-N 324.308 -0.141 30 20 DBED N#Cc1nc(N2CCSC[C@@H]2CO)cnc1-c1nn[nH]n1 1606390199 ZENYERSOKNWXIG-ZETCQYMHSA-N 304.339 -0.558 30 20 DBED C[C@H]1CN(C(=O)C(=O)Nc2ccc(C#N)cn2)C[C@@H](C(=O)O)O1 1607466893 IBWMHHUEJQNOQI-WPRPVWTQSA-N 318.289 -0.408 30 20 DBED N#Cc1ccc(NC(=O)C(=O)N2CC3CC2(C(=O)O)C3)nc1 1608205730 LHVVTUMQSCZMAX-UHFFFAOYSA-N 300.274 -0.033 30 20 DBED C[C@@H](Nc1cnn(CC(=O)NCCO)c1)C(=O)N(C)CCC#N 1649753954 RUGSMRVGQIYEDP-LLVKDONJSA-N 322.369 -0.836 30 20 DBED C#CCNC(=O)CN1CCC[C@H](NC(=O)c2ccnnc2)C1 1731354396 XDCNXTCBGUEMMZ-ZDUSSCGKSA-N 301.350 -0.580 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H](CNC(=O)c1cnon1)C1CC1 1752491804 VNFCJTFJNMHLJV-ONGXEEELSA-N 305.338 -0.695 30 20 DBED C#CCNC(=O)[C@@H](C)NCCN(C)C(=O)c1ccnn1CC 1753183648 UAHACVPNNIYRAJ-GFCCVEGCSA-N 305.382 -0.298 30 20 DBED Cn1nc(C(=O)NC2CN(CC(=O)NCC#N)C2)cc1C1CC1 1753378453 IXQLIWHNLFRLTO-UHFFFAOYSA-N 316.365 -0.649 30 20 DBED CC#CCNC[C@H](C)N(C)C(=O)[C@H](C)NS(=O)(=O)CC 1753692014 HVURLDWVAGMJOI-RYUDHWBXSA-N 303.428 -0.226 30 20 DBED C#CCNC[C@@H]1CCCC[C@@H]1NC(=O)CCS(=O)(=O)NC 1754339174 CTADWFOYJGEVMQ-STQMWFEESA-N 315.439 -0.177 30 20 DBED C#CCNC[C@]1(C)CCN(C(=O)CN(C)CC(=O)NC(C)C)C1 1754699833 OAQLDXZCUHBNJX-KRWDZBQOSA-N 322.453 -0.096 30 20 DBED Cc1ccc(C(=O)NCC2(O)CN(CC(=O)NCC#N)C2)cc1 1754778340 WWWFSOFCDXVOPB-UHFFFAOYSA-N 316.361 -0.589 30 20 DBED COCC#CCN1CC2(C[C@@H](NC(=O)CCCC(N)=O)CO2)C1 1755068237 XAPAZUBQRCKAJG-CYBMUJFWSA-N 323.393 -0.749 30 20 DBED CC#CCN[C@@]1(CO)CCCN(C(=O)CCc2cn(C)nn2)C1 1755092248 IAGXUWUMDAAQPC-INIZCTEOSA-N 319.409 -0.286 30 20 DBED C[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1NCCNS(C)(=O)=O 1755109306 UMQLOBPMWJQAKT-AAEUAGOBSA-N 313.423 -0.615 30 20 DBED C[C@H](C(=O)NCC1[C@H]2CN(CC#N)C[C@H]12)N1C(=O)CCC1=O 1755424213 HBRHGFVFZRJOIF-YUSALJHKSA-N 304.350 -0.659 30 20 DBED C#CCNC(=O)CN[C@@H](C)CN(C)C(=O)[C@H]1CCCC(=O)N1C 1755614401 NRCPOXQEVCOYFF-QWHCGFSZSA-N 322.409 -0.817 30 20 DBED COCC#CCN[C@@H](CO)CNC(=O)c1nc(C)c(C)nc1O 1755632891 ZFNGOOVVRUTJQG-GFCCVEGCSA-N 322.365 -0.871 30 20 DBED C[C@@H]1[C@@H](NCC(=O)NC(N)=O)CCN1C(=O)CSCC#N 1755662534 LUKDSKXBBKHNRH-BDAKNGLRSA-N 313.383 -0.983 30 20 DBED CC#CCN[C@H]1C[C@H](C)N(C(=O)CN2CCC(=O)NC2=O)C1 1755690065 MHJSCXKXDNRAQM-RYUDHWBXSA-N 306.366 -0.469 30 20 DBED C#CCN(C)C[C@@H](O)CN(C)C(=O)c1ccc(C(N)=O)nc1 1755806914 AMAGRWYQTDXUHC-GFCCVEGCSA-N 304.350 -0.822 30 20 DBED C=CCNC(=O)CNC1CC(N(C)C(=O)CN2CCCC2)C1 1755865185 SLMPROLPTXEXOE-UHFFFAOYSA-N 308.426 -0.037 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CN(C)C(=O)Cc1ccon1 1756439987 JYWLMQRXJYOJNH-NSHDSACASA-N 320.349 -0.680 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCOC2)C[C@H]1OC 1757128625 DLTURAKNRHAXQD-MGPQQGTHSA-N 324.377 -0.595 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)c1ccco1)CCO2 1783045916 GJBIRDZEGQKXOA-GDBMZVCRSA-N 318.329 -0.224 30 20 DBED C[C@@H](S)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cnnn1 1796298971 JPJLJEDKSGKBBC-CHWFTXMASA-N 324.410 -0.370 30 20 DBED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)COC)C2)C1 1840841222 JOPXBAGUJNOBMZ-MRXNPFEDSA-N 324.377 -0.497 30 20 DBED CC(C)(C#N)C(=O)N1CCCC12CN(C(=O)[C@@H]1C[C@H](O)CN1)C2 1841137961 CUBMPRNGLMNMKC-RYUDHWBXSA-N 320.393 -0.538 30 20 DBED N#CCC(=O)N1CCCC12CN(C(=O)c1c[nH]c(=O)cn1)C2 1842622953 NIQLJEARJIZNAF-UHFFFAOYSA-N 301.306 -0.499 30 20 DBED N#CC1(C(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)CCC1 1846976411 KNJFLNQNKRHTHO-UHFFFAOYSA-N 315.329 -0.028 30 20 DBED CCN(CCC#N)C(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1 87391783 QCQMAJUXCCFHRF-SNVBAGLBSA-N 313.383 -0.151 30 20 DBED CCS(=O)(=O)N1CC(CNC(=O)c2ccnc(C#N)c2)C1 194165149 PLPHZMATCMUIMW-UHFFFAOYSA-N 308.363 -0.035 30 20 DBED N#Cc1ccc(CC(=O)NCCN2CCS(=O)(=O)CC2)cc1 195182289 SSERNZXAWJNVGZ-UHFFFAOYSA-N 321.402 -0.053 30 20 DBED C[C@@H](CN1CCN(C)CC1)Nc1c(C#N)c(=O)n(C)c(=O)n1C 264408802 OBQTYMROZONKSD-NSHDSACASA-N 320.397 -0.997 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1CCO[C@@H](CNC(C)=O)C1 265506077 YTPDGDQFDDWNJS-JQWIXIFHSA-N 312.370 -0.776 30 20 DBED NC(=O)[C@@H]1CC[C@@H](CNC(=O)C#Cc2ccc3c(c2)OCO3)O1 268555356 XDUHKBBNSPCVHI-AAEUAGOBSA-N 316.313 -0.084 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1CCC[C@H](S(C)(=O)=O)C1 274183792 PFKMEYZNEFHMJO-QWRGUYRKSA-N 317.411 -0.104 30 20 DBED C#CCN(CC#N)C(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 281017709 AGKIDAIJBSXILJ-WFFHOREQSA-N 301.302 -0.866 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H]2CCOC[C@@H]2C)C1=O 286507830 BEAUIWNMHWKLQQ-QWRGUYRKSA-N 323.349 -0.248 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCO[C@H]3CCC[C@@H]32)C1=O 299709283 RYGGBKALSIARJU-QWRGUYRKSA-N 321.333 -0.257 30 20 DBED C[C@@H]1[C@H](NS(=O)(=O)c2ccc(C#N)nc2)CCS1(=O)=O 313371889 PYGAHGGCNVJATM-LDYMZIIASA-N 315.376 -0.193 30 20 DBED CS(=O)(=O)N1CCN(/C(O)=N/CC[C@@H]2CCOC2)CC1 329662293 PIIMEMUWPPVLOE-LLVKDONJSA-N 305.400 -0.096 30 20 DBED Cn1c(N2CCO[C@H](C(=O)C3CC3)C2)c(C#N)c(=O)n(C)c1=O 330016001 OXTOQBDYERARBY-NSHDSACASA-N 318.333 -0.860 30 20 DBED COC(=O)c1cn([C@H]2CCCN(CC(=O)NCC#N)C2)nn1 330869113 FEWJGESCYBEREQ-JTQLQIEISA-N 306.326 -0.659 30 20 DBED CC/N=C(/O)N1CC[C@H](NC(=O)CN2C(=O)CN(C)C2=O)C1 330997297 IOVGAHIABJDAKP-VIFPVBQESA-N 311.342 -0.995 30 20 DBED CCS(=O)(=O)N(C)CCC/N=C(/O)N[C@@H]1CC(=O)N(C)C1 331014834 KZBPWNAKBRSCJY-SNVBAGLBSA-N 320.415 -0.608 30 20 DBED C/N=C(/O)NC(=O)[C@@H](C)N1CCN(C(=O)CCOC)CC1 331066600 QZDRGKJTTHXWLV-SNVBAGLBSA-N 300.359 -0.784 30 20 DBED N#Cc1cccc(-n2ccc(C(=O)NCCS(N)(=O)=O)n2)c1 336883147 GLHILKJFABUNDQ-UHFFFAOYSA-N 319.346 -0.238 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N[C@H](CO)c2ccccc2)CCO1 336949049 REZSQGMHBAXLSL-CHWSQXEVSA-N 311.363 -0.221 30 20 DBED COC(=O)[C@@H]1C[C@@H]1C(=O)N(CCC#N)CCN1CCOCC1 336995461 ZSAPBAJPLYHMQG-QWHCGFSZSA-N 309.366 -0.130 30 20 DBED CN1CCC[C@@H](N(C)S(=O)(=O)N2CCO[C@H](C#N)C2)C1 337053427 AJYUFVGSPBDRAG-VXGBXAGGSA-N 302.400 -0.518 30 20 DBED CCC1(O)CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 337099056 UHWNYKJESGBQJS-NSHDSACASA-N 303.384 -0.308 30 20 DBED CNS(=O)(=O)C1CCN([C@@H](C)C(=O)N(C)CCC#N)CC1 339485655 VXHURGDQDAOYRA-NSHDSACASA-N 316.427 -0.239 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCCC[C@@H](C)CO)C1=O 340412070 OHSUEZKJUCOPEH-SNVBAGLBSA-N 311.338 -0.512 30 20 DBED N#Cc1cc(C(=O)NCC(=O)NCCO)cnc1C(F)(F)F 342957211 KKRDPDYCPXKKBH-UHFFFAOYSA-N 316.239 -0.190 30 20 DBED CN(Cc1ccccc1)C(=O)CNC(=O)NCC(=O)NCC#N 344299023 OBJJMAPQTWXZBZ-UHFFFAOYSA-N 317.349 -0.416 30 20 DBED COC(=O)c1cc(C#N)c(=O)n(Cc2nnnn2C2CC2)c1 351868015 HBUUJGDQUOZEOA-UHFFFAOYSA-N 300.278 -0.124 30 20 DBED N#CCNC(=O)CNC(=O)N[C@H]1CC(=O)N(c2ccccc2)C1 376288153 GJHLOEYNWHWDQJ-NSHDSACASA-N 315.333 -0.269 30 20 DBED N#Cc1ccnc(N2CCN(C(=O)[C@H]3COCCN3)CC2)c1 428776688 FMNNKEOVVJCORS-CYBMUJFWSA-N 301.350 -0.410 30 20 DBED C=CCCS(=O)(=O)NCCCCN1CCN(CCO)CC1 443266206 RSBYVCNKFUHQPW-UHFFFAOYSA-N 319.471 -0.128 30 20 DBED C#C[C@@H](C)N(C)C(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 491359935 BYYYLYUUPWZVPF-SNVBAGLBSA-N 317.349 -0.696 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2ccc(O)cc2O)CC1 491785636 RVGSUAFDGUYAPG-UHFFFAOYSA-N 317.345 -0.395 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCCc2cncn2C)C1=O 541552203 XMUURSBFZKIITQ-UHFFFAOYSA-N 319.321 -0.944 30 20 DBED N#Cc1cc(F)ccc1S(=O)(=O)N[C@H](CC(=O)O)C(=O)O 548203153 UFMQBBLHTZDYLC-MRVPVSSYSA-N 316.266 -0.096 30 20 DBED N#Cc1ccc(O[C@H]2CCN(C(=O)Cn3cnnc3O)C2)nc1 557474233 IVNGDGDHUQGOQB-NSHDSACASA-N 314.305 -0.070 30 20 DBED C=CCOC[C@@H](NC(=O)[C@H](C)N1C(=O)CCC1=O)C(=O)OC 559596877 MOHRNYOYPVCJMK-VHSXEESVSA-N 312.322 -0.616 30 20 DBED N#Cc1ccncc1N1CCN(C(=O)Cn2cnnc2O)CC1 561429820 XJIBOGQGWDPEGX-UHFFFAOYSA-N 313.321 -0.401 30 20 DBED CC[C@@H](CNS(C)(=O)=O)NC[C@@H](O)CN(C)CCC#N 571633985 GKFWNSGWTMCSAY-NWDGAFQWSA-N 306.432 -0.890 30 20 DBED N#Cc1ccc(NCC(=O)NCCN2C[C@@H]3CC[C@H](C2)O3)nc1 577064044 YFXNOOOMNWGLLP-OKILXGFUSA-N 315.377 0.345 30 20 DBED N#CCN(CC#N)C(=O)CNS(=O)(=O)c1cccc(F)c1 577495302 ROCTVMIWUHNKKD-UHFFFAOYSA-N 310.310 -0.020 30 20 DBED C[C@@H](CNC(=O)N(C)CCCc1[nH]nc(N)c1C#N)C(=O)O 594529176 PBMWCERZRIAIFP-QMMMGPOBSA-N 308.342 0.158 30 20 DBED COc1cncc(NC(=O)C(=O)N2CCC[C@H](CC#N)C2)n1 595084774 JCQNPPAXMMYTMJ-SNVBAGLBSA-N 303.322 0.576 30 20 DBED C[C@H](C#N)N(C(=O)C1CCN(S(N)(=O)=O)CC1)C1CC1 598125285 IMRVXKIWRHVQBG-SECBINFHSA-N 300.384 -0.195 30 20 DBED Cn1cc(N2C[C@H](C(=O)N3CCOC[C@@H]3C#N)CC2=O)cn1 599594186 LNNFZIVRJDVNOH-MNOVXSKESA-N 303.322 -0.476 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N(C)[C@@H]1CCC(=O)N(C)C1 601457865 FZNUWYUBOVDCHE-WDEREUQCSA-N 302.400 -0.125 30 20 DBED CCN(C[C@H]1CCOC1)S(=O)(=O)N1CCO[C@@H](C#N)C1 619708656 XKGUHTCEZFCGSS-NEPJUHHUSA-N 303.384 -0.186 30 20 DBED COc1ccc(C(=O)NCC#CCO)cc1N1CCNC1=O 655057362 QCRMXNUQGQEVSD-UHFFFAOYSA-N 303.318 -0.050 30 20 DBED CC#CC[C@@H](NS(=O)(=O)N1CCC(OC)CC1)C(=O)O 656513525 ZQKOXPRGRJILGK-LLVKDONJSA-N 304.368 -0.202 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H](CCO)C2)C1=O 677444801 LOOKJTGSNPEQMC-NSHDSACASA-N 323.349 -0.416 30 20 DBED COC(=O)C1=C(C(=O)C2CC2)[C@H](c2cn(C)nn2)NC(=S)N1 741648070 GWJXAAOFMKYOFD-VIFPVBQESA-N 321.362 -0.260 30 20 DBED COC[C@@H](C#N)OC(=O)C1=CC=CN2CCS(=O)(=O)N=C12 784928840 HWWSHBFGJVOAIB-SECBINFHSA-N 311.319 -0.434 30 20 DBED COC(=O)C[C@H]1C(=O)NCCN1C(=O)C#Cc1cccs1 824838118 LQNSXRSTWOHWHQ-NSHDSACASA-N 306.343 -0.010 30 20 DBED C=CCS(=O)(=O)CCNS(=O)(=O)c1cc(C(=O)O)co1 833378022 GCUSSTHZJWYBQP-UHFFFAOYSA-N 323.348 -0.143 30 20 DBED CS(=O)(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1CNC[C@H]1C#N 834495577 WLAJFQMLDNDKFM-GMTAPVOTSA-N 300.384 -0.972 30 20 DBED C#CC[C@H](NC(=O)CN1C(=O)c2ccccc2C1=O)C(=O)OC 837932286 XBRUVEMYEFAMOF-LBPRGKRZSA-N 314.297 -0.036 30 20 DBED CC(C)(C)OC(=O)N1CC(O)(C(=O)OCC(=O)NCC#N)C1 848783464 JWZARXGHFHBZCZ-UHFFFAOYSA-N 313.310 -0.849 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N[C@H]1CCC[C@@H]1C(=O)NC 875326654 OORPYXJXXXKXOM-AGIUHOORSA-N 323.393 -0.438 30 20 DBED CN(C)S(=O)(=O)CCS(=O)(=O)N1CCC(C#N)CC1 881843831 NJOFJQKSVKIPQK-UHFFFAOYSA-N 309.413 -0.557 30 20 DBED CN(CCC#N)C[C@@H](O)CNCCS(=O)(=O)N1CCCC1 905663899 INVJUXUSJASVKO-ZDUSSCGKSA-N 318.443 -0.792 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2nnn(C)n2)C1 938464170 RMUFYQLQPXZHPG-AXFHLTTASA-N 320.353 -0.868 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](N(C)C(=O)CN2CCCNC2=O)C1 939395536 FCZPSGJXICUHGI-VXGBXAGGSA-N 321.381 -0.379 30 20 DBED C[C@H](C#N)C(=O)N1CCCC[C@H](NC(=O)Cn2cnnc2O)C1 943201647 UHMUFFRMGKRSMF-MNOVXSKESA-N 320.353 -0.359 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)C2=CCOCC2)C1 944561283 QCEOVKMPOQGTRX-AAEUAGOBSA-N 307.350 -0.164 30 20 DBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CCN1C(=O)C(N)=O 950193267 UIWHQMUBACWAAY-SRVKXCTJSA-N 309.366 -0.440 30 20 DBED C#CCCN1C[C@H](CNC(=O)c2cccc(=O)n2C)[C@@H](O)C1 958394707 IIVTXVMVLHIZJJ-JSGCOSHPSA-N 303.362 -0.569 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2c(OC)ncnc2OC)C1 958759139 VFGFHYWKOCXZBU-GHMZBOCLSA-N 320.349 -0.851 30 20 DBED CN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CN(C(=O)C2CC2)C[C@@H]1O 958798314 DJNQPAZOKNFYEN-STQMWFEESA-N 302.334 -0.060 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@H](NC(=O)c2cnn(C)c2)C1 961472165 ADBAJULSKCJEKM-NEPJUHHUSA-N 306.366 -0.066 30 20 DBED C#CCCN1C[C@H]2[C@H](NC(=O)[C@@H]3CCCS(=O)(=O)C3)[C@H]2C1 961907587 BYCIIGDRSRNNRL-MQYQWHSLSA-N 310.419 -0.119 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CCCN(C(=O)[C@H]3CCC(=O)N3)[C@@H]2C1 963694813 WDVRXWLUURWXGV-WUHRBBMRSA-N 318.377 -0.126 30 20 DBED Cc1ccnc(C(=O)NC[C@H]2COCCN2C(=O)[C@H](C)C#N)n1 964166796 KFXOBBFXKQRILZ-PWSUYJOCSA-N 317.349 -0.098 30 20 DBED C[C@H](C#N)C(=O)N1CC2(C1)CN(C(=O)[C@H]1COCCO1)CCO2 965309534 BJJJNVVFVIBWJB-VXGBXAGGSA-N 323.349 -0.999 30 20 DBED C[C@H](C#N)C(=O)N1CCOC2(CN(C(=O)c3cncn3C)C2)C1 965467324 QLXGFAFXEZQLLH-LLVKDONJSA-N 317.349 -0.367 30 20 DBED C#CCCN1CC[C@H](C)[C@H](NC(=O)CN2CCOCC2=O)C1 966751725 LKYLTHZTSQYTQD-UONOGXRCSA-N 307.394 -0.305 30 20 DBED C[C@@H]1CCN(CC#N)C[C@H]1NC(=O)c1cnc(O)n(C)c1=O 967699675 DXMOSZNFJCMBBS-MWLCHTKSSA-N 305.338 -0.550 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CN(C)CCO1 968736750 UHILOZSMCMPGGJ-YIYPIFLZSA-N 320.393 -0.322 30 20 DBED C=CCn1cccc1C(=O)N1[C@H]2CC[C@H]1CN(C(=O)C(N)=O)C2 969237908 AFYLIQZMHYCYQW-RYUDHWBXSA-N 316.361 -0.025 30 20 DBED N#CCN[C@@H]1CCN(C(=O)COc2ccc(C(N)=O)cc2)C1 970749608 PYPLSUUFIMAOSP-GFCCVEGCSA-N 302.334 -0.122 30 20 DBED CCn1cc(C(=O)N2CC[C@@]3(CN(CC#N)CCO3)C2)nn1 972617313 NZSFMKANSGVORD-CQSZACIVSA-N 304.354 -0.262 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CCC[C@H](NC(=O)C(N)=O)C2)c1 983565730 SQSRSIUGMWNHGY-ZJUUUORDSA-N 303.322 -0.471 30 20 DBED CCn1cc(C(=O)N2CC(NC(=O)c3c[nH]c(C#N)c3)C2)nn1 990931807 XGJJXXFRCUFACC-UHFFFAOYSA-N 313.321 -0.248 30 20 DBED C#CCN1CC[C@@]2(NC(=O)CN3CC(=O)NC3=O)CCC[C@H]12 992341192 WZRFRUSKYLWQBB-NHYWBVRUSA-N 304.350 -0.715 30 20 DBED C[C@@H](C#N)C(=O)N1CC(N2C[C@H](NC(=O)C3CCC3)CC2=O)C1 995477959 QGKVAGBOZIAZIS-CMPLNLGQSA-N 318.377 -0.126 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)[C@H]3CCN(C)C3)C2)nc1 997092949 LUSKPWKLJXPJAE-ZDUSSCGKSA-N 312.373 -0.045 30 20 DBED C#CCN1CC[C@@H](n2cc(CNC(=O)c3ncccn3)nn2)C1 1000031108 VVWUOTBXGHBTAG-CYBMUJFWSA-N 311.349 -0.122 30 20 DBED CCC(=O)N1CCNC(=O)CCN(C(=O)C#CC2CC2)CC1 1001743394 BXNNPCLTMXDWOP-UHFFFAOYSA-N 305.378 -0.013 30 20 DBED Cn1nnnc1CN1CCC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 1007132941 CZESHCHNPGALLS-LLVKDONJSA-N 314.353 -0.196 30 20 DBED CC(=O)N1CC(C(=O)N2C[C@H]3CC[C@H]2CN3C(=O)[C@@H](C)C#N)C1 1007280752 DOXPEBAZSKYWMB-GDLCADMTSA-N 318.377 -0.174 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C(=O)[C@@H]2CCCC(=O)N2C)CC1 1011997488 CXKSQQHDJJYBBH-RYUDHWBXSA-N 306.366 -0.172 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2C(NC(=O)c3c[nH]c(=O)cn3)[C@@H]2C1 1013670726 BEKCZBBPMKCBGH-IWSPIJDZSA-N 301.306 -0.884 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)C2CC3(C2)NC(=O)NC3=O)C1 1015830979 IWEKVDMADICTKB-LOIXOFCESA-N 306.366 -0.259 30 20 DBED C#CCOc1ncccc1C(=O)N1C[C@@H](O)[C@H](NC(=O)CC)C1 1022844899 XVWPHCMFKDUADQ-CHWSQXEVSA-N 317.345 -0.195 30 20 DBED CN1CCN(CC(=O)N2CCC[C@@H](N(C)CC#N)C2)CC1=O 1027471426 STACWHHSNZLSGN-CYBMUJFWSA-N 307.398 -0.793 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CC(=O)NC 1032453058 ODQADBMCHQHFFA-IHRRRGAJSA-N 304.394 -0.885 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CCN(Cc2nnn(C)n2)C1 1033431099 BFYNGINTEZEFKP-UPJWGTAASA-N 320.397 -0.166 30 20 DBED CN(C(=O)[C@@H]1CCN(C)S1(=O)=O)[C@@H]1CCN(CC#N)C1 1033500880 FIZVPLLDVSSOSE-MNOVXSKESA-N 300.384 -0.923 30 20 DBED N#CCN1CCCC[C@H](NC(=O)CN2CCCS2(=O)=O)C1 1034241698 ZTQPQEDOOYZVKO-LBPRGKRZSA-N 314.411 -0.484 30 20 DBED C#CCCN1CCO[C@H](CNC(=O)c2cc(OC)ncn2)C1 1035366863 AEHSKXYRPZVQDW-GFCCVEGCSA-N 304.350 -0.061 30 20 DBED C#CCN[C@H]1CCN(C(=O)CN2C(=O)CCC2=O)C[C@H]1CC 1037984582 HRHDDGAWWHDATB-OLZOCXBDSA-N 305.378 -0.015 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC[C@](O)(CNC(=O)C#CC2CC2)C1 1039681365 ZPUAAVRBTZTOQI-IRXDYDNUSA-N 320.389 -0.194 30 20 DBED CC(C)(C)C#CC(=O)NC[C@]1(O)CCN(C(=O)c2cnn[nH]2)C1 1039688541 JZBVGQIEHDNSKB-OAHLLOKOSA-N 319.365 -0.453 30 20 DBED C[C@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)Cc2ncc[nH]2)C1 1040758898 CLYLXHOBIDRPGZ-YGRLFVJLSA-N 305.338 -0.809 30 20 DBED C=CCn1cc(C(=O)N2CC(O)(CNC(=O)CCC)C2)nn1 1041188879 KYTPESLFWIGDAI-UHFFFAOYSA-N 307.354 -0.433 30 20 DBED C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1O 1041341682 FQLQQWMVIXJFLV-JHEVNIALSA-N 317.349 -0.561 30 20 DBED CC(=O)N1CCOC[C@@H]1C(=O)N1CC[C@]2(CCN(CC#N)C2)C1 1041839756 POVCJGZLOTVIHN-ZBFHGGJFSA-N 320.393 -0.318 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)CCCn2ccnn2)C1 1041960766 UUHVMUBDLRBAKQ-UHFFFAOYSA-N 321.381 -0.286 30 20 DBED C=CCN1CC[C@@H](N2CC(N(C)C(=O)C3=COCCO3)C2)C1=O 1042439184 MOWGIZBSZYUXQT-CYBMUJFWSA-N 321.377 -0.196 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)C=C2CCC2)C1 1042493955 WXCNEKMCWPCDJP-LBPRGKRZSA-N 306.362 -0.176 30 20 DBED Cc1ccc(C(=O)N2CC(O)(CNC(=O)C#CC(C)C)C2)nn1 1042937105 YHDOZKMIAHSWPD-UHFFFAOYSA-N 316.361 -0.252 30 20 DBED Cc1ncc(CC(=O)N2CC(O)(CNC(=O)C#CC(C)C)C2)o1 1042939847 GZDNWMFLIBDIIX-UHFFFAOYSA-N 319.361 -0.126 30 20 DBED Cc1cn(C)nc1C(=O)NCC1(O)CN(C(=O)[C@@H](C)C#N)C1 1042983719 PGXFWLBJDKSHSO-VIFPVBQESA-N 305.338 -0.809 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)c2cc[nH]c2)C1 1043036954 VBAPNHDDVJYICG-UHFFFAOYSA-N 305.334 -0.642 30 20 DBED Cn1cnc(C(=O)N[C@@H]2CN(c3ncccc3C#N)C[C@@H]2O)n1 1043933748 XZPBFZUHTCDQHB-MNOVXSKESA-N 313.321 -0.939 30 20 DBED N#Cc1cnccc1N1C[C@H](O)[C@H](NC(=O)c2n[nH]cc2F)C1 1044494612 XWBPCMGUDQXSCR-PWSUYJOCSA-N 316.296 -0.205 30 20 DBED CCc1cc(C(=O)N2CC(O)(CNC(=O)[C@@H](C)C#N)C2)n(C)n1 1045547015 UTXBRKZZYGLXRL-JTQLQIEISA-N 319.365 -0.555 30 20 DBED C#CCN1CC[C@H](N2CCN(C(=O)[C@@H]3CCCNC3=O)CC2)C1 1046037703 WOUMGJAQQYESEO-LSDHHAIUSA-N 318.421 -0.636 30 20 DBED C=CCOCC(=O)N1C[C@H]2C[C@@H](NC(=O)CC(=O)NC)C[C@H]1C2 1047479989 BGMMFKUJIOUQFX-YNEHKIRRSA-N 323.393 -0.179 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccnc3nc(C)nn23)C1 1047593698 RZLZYVXXEWPJOV-STQMWFEESA-N 316.365 -0.264 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)Cc2nc(C3CC3)nn2C)C1 1047634970 QUWJBSNTVOOJGS-STQMWFEESA-N 319.409 -0.076 30 20 DBED C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)C1CC(=O)NC(=O)C1 1049783715 QXBGIFGBCUAIHV-STQMWFEESA-N 303.362 -0.262 30 20 DBED C=C(C)CCN1CCOC[C@H]1CNC(=O)[C@@H]1CC(=O)NC(=O)N1 1051143211 XNRZMJPNKAOJDR-NEPJUHHUSA-N 324.381 -0.632 30 20 DBED CC#CCN1CCOC[C@H]1CNC(=O)c1cccc(C(N)=O)n1 1051264951 ZGOOBZAGCDYANW-GFCCVEGCSA-N 316.361 -0.366 30 20 DBED C#CCN1CC2(C1)CN(C(=O)C[C@H]1CCC(=O)N1C)CCO2 1053369914 NKOJMFLDDUWPLZ-CYBMUJFWSA-N 305.378 -0.456 30 20 DBED C#CCN1CC2(C1)CN(C(=O)c1ccc(C(N)=O)[nH]1)CCO2 1053431427 KSCYTBOLSYDMKF-UHFFFAOYSA-N 302.334 -0.726 30 20 DBED C=CCN1CC2(C1)CN(C(=O)[C@H]1CCCS1(=O)=O)CCO2 1053538569 FOWUVIXSHDPNLF-GFCCVEGCSA-N 314.407 -0.337 30 20 DBED Cn1cc(C(=O)N[C@H]2COC3(C2)CN(CC#N)C3)ccc1=O 1053857220 YWPYUDJVAQCYGI-GFCCVEGCSA-N 302.334 -0.518 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)c3cnc4cccnn34)CO2)C1 1053947400 BCYNDLKTNLFYLM-LBPRGKRZSA-N 311.345 -0.064 30 20 DBED C=C(C)CN1CC2(C[C@@H](NC(=O)c3ccc(=O)n(C)n3)CO2)C1 1054000725 ICZJPMCWTCXCSO-GFCCVEGCSA-N 318.377 -0.071 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@@](CO)(NC(=O)CC)C1 1055662110 QXMJJVVKWHDYNQ-OAHLLOKOSA-N 309.366 -0.994 30 20 DBED N#Cc1cncc(N2CCN(C(=O)[C@H]3CCNC3=O)CC2)n1 1055973874 JLTYWDTZSWIUBM-NSHDSACASA-N 300.322 -0.867 30 20 DBED N#Cc1ccc(N2C[C@H]3[C@H](NC(=O)[C@@H]4COCCO4)[C@H]3C2)nc1 1056135428 PIMBEYVPYUWWRN-SFDCQRBFSA-N 314.345 -0.081 30 20 DBED Cc1cc(C(=O)N(CCO)CCNC(=O)C#CC2CC2)n(C)n1 1057106598 RPILGIJJKASEEH-UHFFFAOYSA-N 318.377 -0.307 30 20 DBED N#Cc1cncc(N2CCCN(C(=O)Cn3cncn3)CC2)n1 1057139591 MBFJJZPOZSRYHV-UHFFFAOYSA-N 312.337 -0.321 30 20 DBED C=CC(C)(C)C(=O)NCCN(CCO)C(=O)CCc1nc[nH]n1 1057299149 OVLDRULRBNJEJQ-UHFFFAOYSA-N 323.397 -0.113 30 20 DBED O=C(NCCN(CCO)C(=O)C#CC1CC1)[C@@H]1CCCOC1 1057530985 AIHNAENDECQSED-CQSZACIVSA-N 308.378 -0.237 30 20 DBED Cn1nncc1C(=O)NC1CCN(c2ccc(C#N)nn2)CC1 1057864985 SSVQWKBNLZTFCG-UHFFFAOYSA-N 312.337 -0.124 30 20 DBED C=CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)Cc1cc[nH]n1 1057921631 LZKJGMZATLQRET-LBPRGKRZSA-N 324.381 -0.520 30 20 DBED Cc1nonc1C(=O)N(CCO)CCNC(=O)C#CC1CC1 1058003622 TWQIUAGMADGXMC-UHFFFAOYSA-N 306.322 -0.658 30 20 DBED C=CC(C)(C)C(=O)N(CCO)CCNC(=O)[C@@H](C)NC(C)=O 1058300943 WYLQCJKWMPJSQX-LLVKDONJSA-N 313.398 -0.340 30 20 DBED N#Cc1cnccc1N1CC[C@@H](NC(=O)[C@H]2COC(=O)N2)C1 1058350205 FSUXSKOXBUAKPK-GHMZBOCLSA-N 301.306 -0.243 30 20 DBED C#Cc1ccc(C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N)nc1 1058654943 LWHQLMHVZGAKGU-LBPRGKRZSA-N 314.345 -0.227 30 20 DBED N#Cc1cncc(N2C[C@@H]3CC[C@H](C2)N3C(=O)CC(N)=O)n1 1058739912 HCWOIXBOWMOVMC-PHIMTYICSA-N 300.322 -0.597 30 20 DBED CN1CCO[C@H](C(=O)N[C@H]2C[C@H](Nc3ccc(C#N)nn3)C2)C1 1059170666 LCNAONBDSWJLQE-AVGNSLFASA-N 316.365 -0.262 30 20 DBED C[C@H](NC(N)=O)C(=O)NCC[C@H]1CCN(C(=O)C#CC2CC2)C1 1059620739 HYEAZQKUTUOIQA-AAEUAGOBSA-N 320.393 -0.189 30 20 DBED N#CCSCC(=O)N1CCOC[C@@H]1CNC(=O)C(F)F 1061149551 MMWMGFCRRGZRTF-QMMMGPOBSA-N 307.322 -0.148 30 20 DBED C=CCCC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1CC(=O)N(C)C1 1061401815 NAJQGICVTPMMMH-CHWSQXEVSA-N 323.393 -0.226 30 20 DBED C=CC(C)(C)C(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1CNC(=O)N1 1061753573 OMYVPMNCHCOFCO-MNOVXSKESA-N 324.381 -0.776 30 20 DBED Cc1cnn(C)c1C(=O)N1CCOC[C@@H]1CNC(=O)[C@@H](C)C#N 1061850432 GLAZNTAMHHMKFY-JQWIXIFHSA-N 319.365 -0.155 30 20 DBED CN(C(=O)c1ncn(C)n1)[C@H]1CCN(c2nccnc2C#N)C1 1062927621 YWDLSYOYQXZQAO-JTQLQIEISA-N 312.337 -0.172 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H]1CN(C(=O)c2ccon2)CCO1 1064911823 NISUBFFDFBLCBL-NWDGAFQWSA-N 321.333 -0.330 30 20 DBED CC(=O)N[C@H](C)C(=O)NC[C@@H]1CN(C(=O)C#CC2CC2)CCO1 1065134651 KPDIHFVWJAPACQ-BXUZGUMPSA-N 321.377 -0.732 30 20 DBED CCC(=O)NCC(=O)NC[C@@H]1CN(C(=O)C#CC2CC2)CCO1 1065135000 PWJBGVXBKZFJDH-CYBMUJFWSA-N 321.377 -0.730 30 20 DBED C#CCOCCC(=O)N1CCO[C@@H](CNC(=O)[C@@H](C)C#N)C1 1065150110 LNVVDBUPFOKPNH-STQMWFEESA-N 307.350 -0.470 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CN(C(=O)CCn2ccnc2)CCO1 1065387326 AXSXIBPJLLWCPH-STQMWFEESA-N 319.365 -0.224 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2ncccn2)CCO1 1065511849 LSUJJOHRHSXVRY-GFCCVEGCSA-N 320.349 -0.364 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)CCn2cnnn2)CCO1 1065519601 NVTQLTCVPPROLG-LBPRGKRZSA-N 322.369 -0.627 30 20 DBED CNC(=O)NCC(=O)N[C@@H]1CCCN(C(=O)[C@@H](C)C#N)CC1 1066240223 XNIGIOOUWVCQFJ-WDEREUQCSA-N 309.370 -0.428 30 20 DBED CC1(C)CN(c2cnc(C#N)cn2)CC[C@@H]1NC(=O)C(N)=O 1067336382 KIZHLDVBDHHPCB-JTQLQIEISA-N 302.338 -0.445 30 20 DBED N#Cc1cccnc1N1C[C@H](O)[C@H](CNC(=O)c2cnn[nH]2)C1 1067698604 ZRJHQPNPKDBKGR-PWSUYJOCSA-N 313.321 -0.702 30 20 DBED N#Cc1cnc(N2C[C@@H]3CC[C@@H](NC(=O)C(N)=O)C[C@H]3C2)cn1 1068268331 XQJQYSXUBHZMKO-GARJFASQSA-N 314.349 -0.445 30 20 DBED C#CCO[C@H](C)C(=O)N1CC2(C[C@H](NC(=O)C(F)F)CO2)C1 1068642424 UBBNDUDLIAEAPV-ZJUUUORDSA-N 316.304 -0.224 30 20 DBED Cc1cc(C#N)nc(N2CCC[C@H](NC(=O)C(N)=O)[C@@H]2C)n1 1069404229 IFVLSWYAEQIJPT-ONGXEEELSA-N 302.338 -0.385 30 20 DBED CN(C(=O)[C@@H]1COC(=O)N1)C1CC(Nc2cncc(C#N)n2)C1 1069736160 YRNJINYALNIVKG-RFBVYIQQSA-N 316.321 -0.142 30 20 DBED C#CCN1CCn2ncc(CNC(=O)[C@H]3CC[C@@H]3C(N)=O)c2C1 1069869619 VJCXMSCIOUXYCC-STQMWFEESA-N 315.377 -0.540 30 20 DBED Cc1ncc(CC(=O)N[C@@H]2CN(CC#N)C[C@@H]2n2ccnn2)o1 1069945157 GMPCOSSYUKNSKI-OLZOCXBDSA-N 315.337 -0.318 30 20 DBED C=CCOCC(=O)N1CCC[C@@H](NC(=O)[C@H]2COC(=O)N2)C1 1070554241 MJGGEZRQRRNDFV-GHMZBOCLSA-N 311.338 -0.595 30 20 DBED C=CCN1C[C@H]2C[C@@H]3CN(C(=O)[C@@H]4CC(=O)N(C)C4)C[C@@]3(C1)O2 1070806638 QTVXDEFQUYAEJR-VMUDFCTBSA-N 319.405 -0.048 30 20 DBED C[C@]1(C(=O)N2C[C@@H]3C[C@@H]4CN(CC#N)C[C@]3(C2)O4)CNC(=O)C1 1070828117 IRDHJYNTYVEFLY-UAXWRAGISA-N 318.377 -0.662 30 20 DBED C#CCCN1C[C@H]2C[C@@H]3CN(C(=O)c4cnn(C)n4)C[C@@]3(C1)O2 1070867323 IAJHDBNCBKKABR-XJKCOSOUSA-N 315.377 -0.246 30 20 DBED Cc1nonc1CC(=O)N1C[C@@H]2C[C@@H]3CN(CC#N)C[C@]2(C1)O3 1070874293 JAHHLQZQRGYEQR-YWPYICTPSA-N 317.349 -0.254 30 20 DBED CNC(=O)CC(=O)N[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1C 1071874332 IPOHYHXYCYIWMS-CABZTGNLSA-N 317.349 -0.401 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H](C)[C@@H](NC(=O)CSC)C1 1071932669 LRPYJIKVQULZIN-QWRGUYRKSA-N 311.407 -0.548 30 20 DBED C#CCOCCC(=O)N1C[C@H](C)[C@H](NC(=O)c2nonc2C)C1 1072094007 NTNUUVMHKOKQEI-CMPLNLGQSA-N 320.349 -0.005 30 20 DBED CC#CCN1CCO[C@H]2CCN(C(=O)c3cn(C)nn3)C[C@H]21 1074232880 HFBPVJGPLPFOHC-KGLIPLIRSA-N 303.366 -0.246 30 20 DBED CCn1nncc1C(=O)N1CC[C@H]2OCCN(CC#N)[C@@H]2C1 1074237295 XCMMXUJSESAOMC-CHWSQXEVSA-N 304.354 -0.263 30 20 DBED Cc1nc(CC(=O)N2CC[C@@H]3OCCN(CC#N)[C@@H]3C2)n[nH]1 1074239107 XAIMJVGETAYICO-NEPJUHHUSA-N 304.354 -0.519 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)c3ccc(=O)n(C)n3)C[C@@H]21 1074400639 UVNVWFMXKVNZGM-UONOGXRCSA-N 316.361 -0.671 30 20 DBED CC(C)[C@@H](O)C(=O)NCC1(O)CCN(C(=O)[C@@H](C)C#N)CC1 1074705499 TUWQEGKWNSPHDV-NWDGAFQWSA-N 311.382 -0.367 30 20 DBED Cc1ccc(=O)n(CC(=O)N[C@@H](C)CCNC(=O)[C@H](C)C#N)n1 1078132003 GKPBUEZWBXGDJK-MNOVXSKESA-N 319.365 -0.278 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H](C)CCNC(=O)c1cn(CC)nn1 1078145919 JHCRKYGAUKBQNA-RYUDHWBXSA-N 321.381 -0.039 30 20 DBED C=C(C)CCC(=O)N[C@@H](C)CCNC(=O)CN1C(=O)CNC1=O 1078581984 OTZZKLXZRWQQDW-NSHDSACASA-N 324.381 -0.095 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N(CC)C(=O)CC(N)=O)C1 1079534522 FLOLDJGFMJGWDZ-NEPJUHHUSA-N 309.366 -0.488 30 20 DBED C#CCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 1079777048 SDUMSTGFFDOQLA-UHTWSYAYSA-N 321.377 -0.795 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)CNC(=O)CC)C[C@H]1O 1081442910 ZUQXIAAZBYFCJQ-CHWSQXEVSA-N 323.393 -0.748 30 20 DBED C#CCCCCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cnn[nH]2)C1 1081589199 BRVMAZUTRFHGNU-YPMHNXCESA-N 319.365 -0.453 30 20 DBED C#CCCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cnn(C)n2)C1 1081600798 KBFQMZWQIRTRKW-WCQYABFASA-N 319.365 -0.832 30 20 DBED C#CCO[C@H](C)C(=O)N1CCCC[C@H]1CNC(=O)c1cnn[nH]1 1082075899 JDKUKWLSZVIDML-NEPJUHHUSA-N 319.365 -0.046 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CCCN(C(N)=O)C1 1083136137 IFEHUXJVCNANJV-FRRDWIJNSA-N 321.381 -0.788 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)c2nnc3ccccc3n2)C1 1083646108 LYWXHDSNJYDPKN-KGLIPLIRSA-N 311.345 -0.177 30 20 DBED CCCC(=O)N1CCC[C@@H](C(=O)N[C@@H]2CN(CC#N)C[C@@H]2O)C1 1084085504 YLTWDTZTOXEDGJ-MCIONIFRSA-N 322.409 -0.290 30 20 DBED C[C@@H](C[C@H](C)Nc1cncc(C#N)n1)NC(=O)c1nnn(C)n1 1089451902 WDPHOFLAKVBECM-IUCAKERBSA-N 315.341 -0.119 30 20 DBED C#CCN1C[C@H](NC(=O)Cn2cncn2)CC2(CCOCC2)C1 1089967651 FUFMMOWWFGXEJT-CQSZACIVSA-N 317.393 -0.101 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cccc(C(N)=O)c2)[C@H](O)C1 1090366378 ZOHJXCZSDGZPBL-UONOGXRCSA-N 301.346 -0.416 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(c2nccnc2F)C[C@H]1O 1090445403 IWJIPUNHXZZFPP-GMTAPVOTSA-N 310.329 -0.128 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2ccc3nncn3c2)[C@H](O)C1 1090640436 IICVDRLVTCNYRR-VXGBXAGGSA-N 300.322 -0.582 30 20 DBED C#CCCN1CC[C@@H](NC(=O)Cn2ccccc2=O)[C@@H](O)C1 1090797531 CRWQRQQZSFVDER-KGLIPLIRSA-N 303.362 -0.577 30 20 DBED C#CCN1CCC(C(=O)N[C@H]2CCN(CCCO)C[C@@H]2O)CC1 1090830020 HZPFPTMFTCNWMZ-HOTGVXAUSA-N 323.437 -0.735 30 20 DBED C=CCCN1CC[C@H](NC(=O)c2ccc(C(N)=O)cn2)[C@H](O)C1 1090844808 UKJHCDVTLRKSIS-GXTWGEPZSA-N 318.377 -0.078 30 20 DBED CO[C@@H]1CN(c2nccnc2C#N)C[C@H]1NC(=O)[C@H](C)C#N 1090864839 MQVAJGFMLDDPSC-YUSALJHKSA-N 300.322 -0.172 30 20 DBED C[C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1Nc1ncccc1C#N 1090955202 HYKQCKKUYQHCAS-MWLCHTKSSA-N 302.338 -0.120 30 20 DBED N#Cc1ccc(N2C[C@H]3[C@H](NC(=O)C4(C(N)=O)CC4)[C@H]3C2)cn1 1093355813 IGDNRDOPEVVMML-ITGUQSILSA-N 311.345 -0.230 30 20 DBED CO[C@@H](C(=O)NCCNc1ccc(C#N)nn1)[C@H]1CCOC1 1094011169 BAXXSGICUYKAJH-GXFFZTMASA-N 305.338 -0.072 30 20 DBED Cc1cc(=NCCNC(=O)[C@H]2CN(C)C(=O)N2)c(C#N)c[nH]1 1094060920 UNESZKRSPGMDRS-GFCCVEGCSA-N 302.338 -0.765 30 20 DBED COCC(=O)N[C@H](C)C(=O)NCCNc1ccc(C#N)c(C)n1 1094185251 MNCLWJCYWYGIOA-LLVKDONJSA-N 319.365 -0.059 30 20 DBED N#Cc1ccc(NCCNC(=O)CN2CCCS2(=O)=O)cn1 1094203977 DUYBCGJGNOKNHU-UHFFFAOYSA-N 323.378 -0.483 30 20 DBED N#Cc1cnc(NCCCNC(=O)C[C@H]2CCNC2=O)cn1 1094617676 PGRVAOFIBSTBTM-SNVBAGLBSA-N 302.338 -0.207 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)c3ccnn3CC)CC2=O)C1 1094730646 HALJSADJQAWVLG-LBPRGKRZSA-N 315.377 -0.449 30 20 DBED CC#CCN1CC(N2C[C@@H](NC(=O)c3ccn(C)n3)CC2=O)C1 1094814231 CGUHLUTZMMDVHJ-LBPRGKRZSA-N 315.377 -0.542 30 20 DBED CC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H]1CN(C(C)=O)CCO1 1096461377 OTSUTGBFYPGDRO-FXUDXRNXSA-N 319.405 -0.022 30 20 DBED CS(=O)(=O)CCC(=O)N[C@@H]1CCN(c2nccnc2C#N)C1 1096502245 LULASRACBXFAGG-SNVBAGLBSA-N 323.378 -0.522 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](Nc2ccnc(C)n2)C1 1096934720 QKBSYTQPNPPGBR-LBPRGKRZSA-N 301.350 -0.063 30 20 DBED N#Cc1nccnc1N[C@H]1C[C@H](NC(=O)C2(C(N)=O)CC2)C1 1097097434 FJRGEMBQJXUQRW-KYZUINATSA-N 300.322 -0.327 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H]1CCCN(c2ncccn2)C1 1097306311 SNXXCAATOFDGKE-ZDUSSCGKSA-N 315.377 -0.051 30 20 DBED C[C@@H](C(=O)NC[C@@H](C)N=c1cc[nH]c(C#N)n1)n1cncn1 1097785813 UFPFXWAVPWKAEI-ZJUUUORDSA-N 300.326 -0.461 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H]1CCc2nnnn2CC1 1097888244 LUYWHOJHCJHBID-DGAVXFQQSA-N 314.393 -0.020 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)c2cccnc2)[C@H](O)C1 1099636092 KFELWYSNSMFMKF-ZIAGYGMSSA-N 318.377 -0.451 30 20 DBED C#CCN1CC[C@H](NC(=O)CNC(=O)C2CCCC2)[C@H](O)C1 1099846814 CCQFWVIDCLKZIP-UONOGXRCSA-N 307.394 -0.523 30 20 DBED C=C(C)CCC(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[nH]2)C[C@H]1O 1099855337 GMZYRZQYVVHLIA-NWDGAFQWSA-N 323.397 -0.484 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2ccnnc2C)[C@H](O)C1 1099907109 RVFJMRKWWAKOPR-HUUCEWRRSA-N 318.377 -0.400 30 20 DBED N#CCN1CC[C@H](NC(=O)CCNC(=O)c2ccco2)[C@@H](O)C1 1100101081 GJYHEOVHMYLZSX-RYUDHWBXSA-N 320.349 -0.526 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)Cc2ccc[nH]2)[C@H](O)C1 1100113601 COXAEOAIIUEGOI-ZIAGYGMSSA-N 320.393 -0.589 30 20 DBED CN1C[C@H](C(=O)NCCN(C)c2ccnc(C#N)n2)CCC1=O 1100150648 LWJICVDFMIVBAZ-LLVKDONJSA-N 316.365 -0.231 30 20 DBED CN1C[C@H](C(=O)NCCN(C)c2cncc(C#N)n2)CCC1=O 1100150755 OUIWIKUDYFLXLD-LLVKDONJSA-N 316.365 -0.231 30 20 DBED C=CCNC(=O)CNC1CC(CNC(=O)[C@H]2CC(=O)N(C)C2)C1 1100378298 VEVKAKURAADKMX-CPCZMJQVSA-N 322.409 -0.749 30 20 DBED N#Cc1cccnc1N1CCC[C@@H]1CNC(=O)CNC(N)=O 1100779765 UQEAOMSUMHBNMA-LLVKDONJSA-N 302.338 -0.293 30 20 DBED CCCN(CCNC(=O)CCNC(N)=O)c1ccnc(C#N)n1 1101145008 BVVVDAYOSXYEBD-UHFFFAOYSA-N 319.369 -0.261 30 20 DBED CNC(=O)CC(=O)NCC[C@H]1CCN(c2nccnc2C#N)C1 1102311631 BHPANFWHFGHMIQ-NSHDSACASA-N 316.365 -0.183 30 20 DBED CC(=O)N[C@@H](C)C(=O)N(C)[C@H]1CCN(c2nccnc2C#N)C1 1102668841 VHWREOILAVEHPJ-JQWIXIFHSA-N 316.365 -0.090 30 20 DBED CN(C(=O)CCNC(N)=O)[C@@H]1CCN(c2ccc(C#N)nn2)C1 1102710141 WAUSTFTZMQCJSG-LLVKDONJSA-N 317.353 -0.556 30 20 DBED C=CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)CC(N)=O)C1 1102806580 VMTFKEKXTZIGAA-VXGBXAGGSA-N 310.398 -0.762 30 20 DBED CCCC(=O)NCC(=O)NC[C@H](CC)N=c1cc[nH]c(C#N)n1 1103003287 AFJROFXADDLDMD-NSHDSACASA-N 318.381 -0.007 30 20 DBED CC#CCCCC(=O)N1CC(n2cc(CNCCO)nn2)C1 1105308381 NGXFBPYPMKGMRD-UHFFFAOYSA-N 305.382 -0.063 30 20 DBED COCCOCCC(=O)N1CC(n2cc(CNCC#N)nn2)C1 1105380856 IKKIQWBEIOMDGU-UHFFFAOYSA-N 322.369 -0.672 30 20 DBED CN(CCN(C)c1ccnc(C#N)n1)C(=O)c1cn(C)nn1 1105383715 BMJONHRKGXVQCU-UHFFFAOYSA-N 300.326 -0.315 30 20 DBED Cc1cc(C#N)nc(NC[C@H](O)CNC(=O)c2ccn(C)n2)n1 1105856554 VBBWUUYQPLBXNQ-LLVKDONJSA-N 315.337 -0.407 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)[C@@H]2CCCNC2=O)nc1 1105999335 OYWPPFYXZACFPH-NWDGAFQWSA-N 317.349 -0.632 30 20 DBED C=CCCCC(=O)NC[C@H](O)CNc1ccc2nnnn2n1 1106072560 FFQZKQBXBBSCLL-SNVBAGLBSA-N 305.342 -0.235 30 20 DBED N#Cc1nccnc1NC[C@H](O)CNC(=O)CC1=CCOCC1 1106078784 MRYRZEYSRNPUPE-GFCCVEGCSA-N 317.349 -0.026 30 20 DBED C=C(C)CNC[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@H]1C 1106772757 TXQQOFLPHREVAX-VXGBXAGGSA-N 308.382 -0.202 30 20 DBED Cc1nc(O)nc(O)c1CC(=O)N1C[C@@H](C)[C@H](CNCC#N)C1 1106796210 MFFXYXUSCZTWST-MWLCHTKSSA-N 319.365 -0.054 30 20 DBED N#Cc1c[nH]ccc1=NC/C=C/CNC(=O)C(=O)NCC(F)F 1107402660 MFKDITGWSLUHMK-OWOJBTEDSA-N 323.303 -0.159 30 20 DBED CCc1nc(C#N)cc(NC[C@@H](C)NC(=O)[C@H]2COC(=O)N2)n1 1107704639 SUPQFWZUQNUEFV-PSASIEDQSA-N 318.337 -0.064 30 20 DBED COCC#CCN1CCO[C@@](C)(CNC(=O)[C@@H]2CCCN2C)C1 1107816800 IATMMJJGLSPMET-RDJZCZTQSA-N 323.437 -0.063 30 20 DBED C[C@]1(CNC(=O)c2cccc(C(N)=O)n2)CN(CC#N)CCO1 1108429285 GPRZJQXAQDOVQD-HNNXBMFYSA-N 317.349 -0.475 30 20 DBED C=CCNC(=O)[C@H](C)N1CC(N2C[C@H](NC(C)=O)CC2=O)C1 1108495069 PZXLRMUUALLGEP-CMPLNLGQSA-N 308.382 -0.902 30 20 DBED C[C@@H](CNc1cnc(C#N)cn1)NC(=O)[C@H]1CCN(C)C1=O 1108646442 AVWOGDHSZBGJCY-GXSJLCMTSA-N 302.338 -0.257 30 20 DBED CNC(=O)C1(C(=O)N[C@@H](C)CN(C)c2cncc(C#N)n2)CC1 1109018118 JIENVCVGODAOEU-JTQLQIEISA-N 316.365 -0.185 30 20 DBED C#CCOCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2[C@@H]1CCN(C)C1=O 1109270537 KXCQKSYXZLGSGJ-CBBWQLFWSA-N 319.405 -0.022 30 20 DBED C=CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CNS(=O)(=O)CC 1109365211 HFEYZLRIHRHDLJ-WOPDTQHZSA-N 301.412 -0.167 30 20 DBED CC(C)[C@H](F)C(=O)N(CCO)CCN=c1cc[nH]c(C#N)n1 1111539484 JIEDWHMMERNTSR-ZDUSSCGKSA-N 309.345 -0.003 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1COCCN1c1ccc2nnnn2n1 1111662956 KVXMJTYZOBXXEV-NXEZZACHSA-N 316.325 -1.000 30 20 DBED CN(C)CCC(=O)NC[C@H]1COCCN1c1cncc(C#N)n1 1111718598 FLSLOINZYBGONG-ZDUSSCGKSA-N 318.381 -0.379 30 20 DBED Cn1nnc(C(=O)NCC2(Nc3ccnc(C#N)n3)CCC2)n1 1111887468 WEPMDYRNPTVRBY-UHFFFAOYSA-N 313.325 -0.364 30 20 DBED C[C@H](C#N)C(=O)N(C)CCCN(C)c1ccc2nnnn2n1 1112061651 HQQHVGMSQDVLTR-SNVBAGLBSA-N 302.342 -0.036 30 20 DBED CNC(=O)CC(=O)N[C@H]1CCN(c2nccnc2C#N)C[C@H]1C 1112400677 PQOLYUSXAMOZIN-MNOVXSKESA-N 316.365 -0.185 30 20 DBED C[C@@H](NC(=O)C1(C(N)=O)CC1)[C@@H](C)Nc1nccnc1C#N 1113274730 VEJULWKWRPKYTR-RKDXNWHRSA-N 302.338 -0.081 30 20 DBED COCC#CCN1CCN(C(=O)c2cnn(C)c2OC)CC1 1113587895 PNCRTOMGOXHMJB-UHFFFAOYSA-N 306.366 -0.164 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3snnc3C)[C@H]2C1 1113838629 GYGXAWXNBBZZAB-IAZYJMLFSA-N 319.390 -0.744 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)CCSCC)[C@H]2C1 1113942358 MTRLCAYZPVSYSH-JYAVWHMHSA-N 309.435 -0.075 30 20 DBED C=C[C@](C)(O)CC(=O)NC1[C@@H]2CN(CCN3CCNC3=O)C[C@@H]12 1114193598 DCDMREXWWCYSQI-HSMVNMDESA-N 322.409 -0.615 30 20 DBED C[C@H](c1nnnn1C)N1C[C@H]2[C@H](NC(=O)C#CC3CC3)[C@H]2C1 1114253846 VULLFXORDFKBEQ-WUWHUORYSA-N 300.366 -0.269 30 20 DBED C#CCOCCC(=O)NC1[C@@H]2CN(CC(=O)N3CCCC3)C[C@@H]12 1114263389 UQKRWOZATYKJII-ZIAGYGMSSA-N 319.405 -0.305 30 20 DBED C#Cc1cncc(C(=O)NC2[C@H]3CN(CC(=O)NCC#N)C[C@H]23)c1 1114805821 KNVCNJMABHXSLX-KBPBESRZSA-N 323.356 -0.637 30 20 DBED CNC(=O)CC(=O)NCCOCCN(C)c1ncccc1C#N 1115195930 PJDJMWFZBQVHPI-UHFFFAOYSA-N 319.365 -0.342 30 20 DBED C=CCOCCN1C[C@H]2C(NC(=O)C[C@H]3CC(=O)NC3=O)[C@@H]2C1 1115360845 ORSMKBLWSKMXJJ-QJPTWQEYSA-N 321.377 -0.712 30 20 DBED COC(=O)CN(CC#N)S(=O)(=O)c1cnc2c(cnn2C)c1 1116683870 ZCSDUMOOPQUROT-UHFFFAOYSA-N 323.334 -0.344 30 20 DBED Cn1oc(C(=O)NC[C@@H](CO)Nc2ncccc2C#N)cc1=O 1121364941 HRPGIJAVHSCNQM-JTQLQIEISA-N 317.305 -0.552 30 20 DBED N#Cc1cnc(N[C@@H](CO)CNC(=O)C[C@@H]2CCOC2)cn1 1121400171 VHOQAQIUROLXCU-CMPLNLGQSA-N 305.338 -0.336 30 20 DBED Cc1nc[nH]c1C(=O)NC[C@H](CO)N=c1cc[nH]cc1C#N 1121724387 MLVQXKYUUSCFMA-LLVKDONJSA-N 300.322 -0.391 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H](CO)N=c2cc[nH]cc2C#N)cn1 1121847408 ORBHLISCFNAHHF-HNNXBMFYSA-N 321.340 -0.046 30 20 DBED COCCCOCC(=O)NC[C@@H](CO)Nc1ncccc1C#N 1122053215 WMLUKQULFCWXIP-ZDUSSCGKSA-N 322.365 -0.105 30 20 DBED C[C@@H]1CCN(CC(=O)NC[C@@H](CO)Nc2cnc(C#N)cn2)C1 1122528501 VDVMKRNWZAFPEU-YPMHNXCESA-N 318.381 -0.421 30 20 DBED C=CCOCC(=O)N(C)C[C@H](O)CNc1cc(C)nc(CO)n1 1124196527 NPVHCCCNUHZJQG-GFCCVEGCSA-N 324.381 -0.289 30 20 DBED CN(C[C@@H](O)CNc1nccnc1C#N)C(=O)c1ncn(C)n1 1124295490 DAOHOEHTHIHBMA-VIFPVBQESA-N 316.325 -0.978 30 20 DBED CN(C[C@@H](O)CN(C)c1ccc(C#N)nn1)C(=O)CC(C)(C)O 1125099535 BNJWYWKSFSBXKD-LBPRGKRZSA-N 321.381 -0.235 30 20 DBED CNC(=O)CC(=O)N(C)C1CC(N=c2cc[nH]c(C#N)n2)C1 1126896794 SOKXMVDEOPCOHB-UHFFFAOYSA-N 302.338 -0.692 30 20 DBED CC#CCN1CCNC(=O)CCN(C(=O)[C@H](C)NC(C)=O)CC1 1131325377 CATVTTMJPDYEIU-ZDUSSCGKSA-N 322.409 -0.815 30 20 DBED C#CCNC(=O)CC(=O)N1CCC(=O)NCCN(C(C)C)CC1 1131357006 CZORCOBVCHGYAS-UHFFFAOYSA-N 322.409 -0.815 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CC[C@@H](C)N(CC#CCOC)C1 1131979906 DKOKWBJYEZSCHH-CABCVRRESA-N 319.405 -0.255 30 20 DBED C#CCNC(=O)CN1C[C@H](NC(=O)c2cnn(C)n2)CC[C@H]1C 1132342666 CVZMOYRCGWKUJO-VXGBXAGGSA-N 318.381 -0.853 30 20 DBED Cc1nn(CC(=O)N2CC[C@@H](C)[C@@H](CNCC#N)C2)c(=O)n1C 1133289400 UOFZAHOIANWQSP-YPMHNXCESA-N 320.397 -0.512 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1nccn2ccnc12 1133997925 KJMOYLMUEVRKOP-UHFFFAOYSA-N 302.338 -0.649 30 20 DBED C=CCC[C@@H](C)NCCNC(=O)CCn1cc[nH]c(=O)c1=O 1135390306 IORLPFPLSWMKCR-GFCCVEGCSA-N 308.382 -0.013 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)[C@H]1CN(CC)CCO1 1151756384 LBDVIZHDQHRLIA-QWHCGFSZSA-N 312.414 -0.896 30 20 DBED C=CCOCCNCCNC(=O)CCNC(=O)[C@@H]1CCCO1 1153605888 TVYLFRPBNYYHPI-ZDUSSCGKSA-N 313.398 -0.420 30 20 DBED N#CCSCC(=O)NCCCNCC(=O)N1CCOCC1 1154803262 WRSSDMRTODPWCW-UHFFFAOYSA-N 314.411 -0.802 30 20 DBED C=CCCC(=O)NCCCNC[C@H](O)CN1C(=O)CCC1=O 1155593215 CBQOJGBGYYSUFH-LBPRGKRZSA-N 311.382 -0.442 30 20 DBED C=C(C)[C@@H](CC(=O)NCCCNCC(=O)NC(N)=O)OCC 1159149000 QWHKGIXDRGAPHU-LLVKDONJSA-N 314.386 -0.352 30 20 DBED N#CCSCC(=O)N1CC[C@H]2OCCN(CCCO)[C@H]2C1 1176929324 GHHOOUQBRCSUHC-QWHCGFSZSA-N 313.423 -0.073 30 20 DBED CC#CCN1CCO[C@@H]2CCN(C(=O)CC(=O)NCC)C[C@@H]21 1176996046 ZXMBOWJCLCRUEB-UONOGXRCSA-N 307.394 -0.162 30 20 DBED C#CCCNC[C@@H]1C[C@H]2CC[C@H]1N(C(=O)Cn1ncnn1)C2 1177756696 GBXQWFVCMWIAKO-HZSPNIEDSA-N 302.382 -0.087 30 20 DBED CCS(=O)(=O)N(C)CC(=O)N1CC[C@H](NCC#N)[C@@H]1C 1179829441 ZHJXITWONVVJHH-QWRGUYRKSA-N 302.400 -0.630 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2cnn(C)c2)C1 1180912694 FCPXOEWMXADCIH-DGCLKSJQSA-N 305.382 -0.085 30 20 DBED C=CCN(CC=C)C(=O)CN[C@@H]1CCN(C(=O)CC(N)=O)C1 1181770226 ZHNIHKPWEPTZGC-GFCCVEGCSA-N 308.382 -0.747 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](NCc2nccn2CC)C1 1182133915 COKUTDADVKUXJH-CYBMUJFWSA-N 317.393 -0.267 30 20 DBED C[C@@H]1CN(C(=O)c2cn[nH]c2)CC[C@H]1CNCC(=O)NCC#N 1183923184 KAJVWTDXWPTQGS-NEPJUHHUSA-N 318.381 -0.263 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2cn(CC=C)nn2)C1 1186177692 QYEHTVRZZODUAP-GFCCVEGCSA-N 316.365 -0.982 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2c[nH]c(C)cc2=O)C1 1186762598 UCYIMHBGZPXZST-GFCCVEGCSA-N 316.361 -0.763 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC[C@H]2CN(CC(=O)N(C)C)C[C@H]21 1187755507 NFBQBDCOZAQCHP-ZENOOKHLSA-N 309.410 -0.066 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@@H]1CCN(C(=O)C2=COCCO2)C1 1188725740 FAEHWMRETSBNOZ-QWHCGFSZSA-N 321.377 -0.455 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@@H]1CCN(C(=O)c2cn[nH]c2)C1 1189031965 OUMKDEWACXWQKF-WCQYABFASA-N 303.366 -0.306 30 20 DBED Cc1nonc1C(=O)N1CC[C@H]2CN(CC(=O)NCC#N)C[C@H]21 1190487379 ZJBHARNOWXBQRQ-WDEREUQCSA-N 318.337 -0.836 30 20 DBED C=CCCCN(C)[C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 1191695470 JAFUWNZOJHOMKR-CQSZACIVSA-N 308.426 -0.083 30 20 DBED C=CCCC(=O)N[C@@H]1CN(Cc2nnnn2CCC)C[C@H]1O 1191724865 UOJJKDQSAKCTMY-VXGBXAGGSA-N 308.386 -0.289 30 20 DBED CCCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 1192298485 RJYXZBOKXMDFFM-CHWSQXEVSA-N 319.365 -0.813 30 20 DBED CC(C)CNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)C#CC2CC2)C1 1192861734 FXQGDZOHEGIHLY-BPLDGKMQSA-N 321.421 -0.278 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2nccs2)C[C@H]1O 1192891610 OIKNALCYQSHSGP-IJLUTSLNSA-N 309.391 -0.157 30 20 DBED CC#CCN(C)[C@@H]1CCN(C(=O)CN2C(=O)NC(=O)C2(C)C)C1 1193243592 GVQGADPNRHOZFC-GFCCVEGCSA-N 320.393 -0.127 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C2(C)CCCC2)C1 1195057642 FMKOVBKUVKZSLY-CHWSQXEVSA-N 307.394 -0.523 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)C(C)(C)C2CC2)C1 1195524298 FMORDEWDDLHGCC-MRVWCRGKSA-N 321.421 -0.278 30 20 DBED C=CCCCC(=O)N[C@@H]1CN([C@@H](C)C(=O)NC(N)=O)C[C@H]1O 1195724986 HAYRZCXSPLRKNS-HBNTYKKESA-N 312.370 -0.913 30 20 DBED CC[C@H](C(=O)N1CCCN(CC(=O)NCC#N)CC1)N(C)C 1196275251 IEHSTWADZQNALP-CYBMUJFWSA-N 309.414 -0.499 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)CNC(=O)CCC2CCCC2)C1 1196961931 YEFIZVCTYRYRKM-HUUCEWRRSA-N 321.421 -0.133 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)[C@H](C)CS(C)(=O)=O)C1 1199146024 OSNQZHNSXASVEL-JHJVBQTASA-N 318.439 -0.205 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CCN(C(=O)[C@@]23COC[C@@H]2C3)CC1 1200668565 BDAGKJGEKPSOPF-IGCXYCKISA-N 319.405 -0.259 30 20 DBED C#CCNC[C@@H]1CN(C(=O)[C@H]2COCCN2CC)CCCO1 1200859187 LEMNGHIZMCVAPE-HUUCEWRRSA-N 309.410 -0.453 30 20 DBED CC(=O)N1CC[C@@H](C(=O)N2CCCO[C@@H](CNCC#N)C2)C1 1201957680 DXQZHVYPFJHYSE-KGLIPLIRSA-N 308.382 -0.415 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)c2ccc(=O)n(C)n2)CCCO1 1202006074 MJEDLSYVKSKQNR-CYBMUJFWSA-N 318.377 -0.376 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)[C@@H]2CN(CC)CCO2)CCCO1 1202109270 OCZGPPLGHCAVOW-CVEARBPZSA-N 323.437 -0.063 30 20 DBED C=CCNC(=O)CNCC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1205223778 HKFOAUHCPYHZGU-CHWSQXEVSA-N 324.381 -0.218 30 20 DBED COCC#CCNCC1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1 1206287819 JWSHHIIGVMPCIG-KGLIPLIRSA-N 307.394 -0.414 30 20 DBED CC(=O)NCCOCCN1C[C@@H](NC(=O)[C@@H](C)C#N)[C@H](C)C1 1206659110 DDCHVPZLOQHMMC-OUCADQQQSA-N 310.398 -0.265 30 20 DBED COCC#CCN[C@@H]1CCCN(C(=O)CCn2cncn2)C1 1207329323 OPTMASKWRMNKGC-CQSZACIVSA-N 305.382 -0.101 30 20 DBED CCS(=O)(=O)NCCN[C@@H]1CCCN(C(=O)[C@@H](C)C#N)C1 1207693295 OLRIOBCPDFMOLC-NWDGAFQWSA-N 316.427 -0.334 30 20 DBED COCC#CCN1C[C@@H](NC(=O)[C@@H]2CCCN2C(N)=O)[C@H](C)C1 1211458959 ULMXKASTVSNIHH-MCIONIFRSA-N 322.409 -0.384 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)C#CC(C)(C)C)[C@H](OC)C1 1212253284 BGMVJYNGGDNWGA-ZIAGYGMSSA-N 319.405 -0.399 30 20 DBED C=C(C)CN1C[C@@H](NC(=O)[C@@H](C)NC(=O)COC)[C@H](OC)C1 1212308846 ITGIMIGOEJIONA-JHJVBQTASA-N 313.398 -0.471 30 20 DBED C=CCCN1C[C@@H](NC(=O)CCN2C(=O)CCC2=O)[C@H](OC)C1 1213143371 PPQOYRPZECMDOJ-CHWSQXEVSA-N 323.393 -0.083 30 20 DBED CCn1ccnc1C(=O)N1C[C@@H](NCC(=O)NCC#N)[C@H](C)C1 1214520660 MTBYHTUZWVIRGK-VXGBXAGGSA-N 318.381 -0.407 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H](C)NC(=O)CC)C[C@H]1C 1214691223 OJQSTCXVSSWYBW-JHJVBQTASA-N 324.425 -0.360 30 20 DBED C#CCOCCC(=O)NC1CCN(Cc2cnn(C)n2)CC1 1227323582 UZAVRTJCBHTPKH-UHFFFAOYSA-N 305.382 -0.064 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)[C@H]2CCC(=O)N2C)CC1 1228819406 LUXIVSPMFYDADQ-CYBMUJFWSA-N 322.409 -0.510 30 20 DBED CN(C)C(=O)CC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCC#N 1228991247 ZLQYOCZRANYOIE-VXGBXAGGSA-N 323.397 -0.879 30 20 DBED COCC#CCN1CCC(NC(=O)C[C@H]2CCC(=O)N2)CC1 1229566102 ISKNSRHOMIQLDX-CQSZACIVSA-N 307.394 -0.115 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)[C@H]2CCO[C@@H]2C)CC1 1229723381 OTZGPVWLQMZTHB-OCCSQVGLSA-N 307.394 -0.259 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)Cn2ccnc2)CC1 1230438330 JBUHTLQHFNCFGN-UHFFFAOYSA-N 305.382 -0.234 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)c2nonc2C)CC1 1230442460 LWKAHJKSZWASLH-UHFFFAOYSA-N 307.354 -0.126 30 20 DBED CN(C[C@H]1CCN1CC(=O)NCC#N)C(=O)Cn1cccn1 1230762653 PTBWXUGONLGQEV-GFCCVEGCSA-N 304.354 -0.944 30 20 DBED CN(CCOCCO)C(=O)C(=O)Nc1cccc(OCC#N)c1 1256614054 FCEZSBCMFMXXRR-UHFFFAOYSA-N 321.333 -0.005 30 20 DBED Cc1ccc(CCNC(=O)C(=O)N2CCO[C@@H](C#N)C2)cn1 1257588065 FFIVMUIGHBVHOV-ZDUSSCGKSA-N 302.334 -0.200 30 20 DBED C#CCOCCNC(=O)C(=O)N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1260309059 CWSMAOOLALKIIB-ZENOOKHLSA-N 324.377 -0.453 30 20 DBED Cc1cncc(CC(=O)N2CC[C@H](NCC(=O)NCC#N)C2)c1 1267015828 UFWHJDVETZCTAH-AWEZNQCLSA-N 315.377 -0.237 30 20 DBED CCN1C[C@H](C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1=O 1318695194 UYXYBXSBARRCLT-QMLLPTRZSA-N 320.349 -0.503 30 20 DBED COC[C@](C)(C#N)NC(=O)c1ccnc2c(C(N)=O)cnn12 1319669958 ACONHLVCRRFGGG-ZDUSSCGKSA-N 302.294 -0.513 30 20 DBED O=C(Cn1ccc(O)nc1=O)NCc1ccc(C(=O)NO)cc1 1321168533 APLJWDHXQCNPIL-UHFFFAOYSA-N 318.289 -0.616 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)NCCCNc2ccccn2)CCO1 1321648928 VWICEUXLQAKOJX-LBPRGKRZSA-N 317.349 -0.249 30 20 DBED C#CCOCCNC(=O)C(=O)N(C)[C@H](C)CS(=O)(=O)CC 1323027768 VFLBBSJNDNRQOI-LLVKDONJSA-N 318.395 -0.966 30 20 DBED C=CC[C@@H](CC)NC(=O)C(=O)N1CC[C@@H](S(=O)(=O)NC)C1 1323098640 AFJMOXIPEWNXSI-GHMZBOCLSA-N 317.411 -0.393 30 20 DBED C#CCOCCNC(=O)C(=O)N(C)C[C@@H]1CCN(C(C)=O)C1 1323699776 WKRFHOYSMUAWPH-ZDUSSCGKSA-N 309.366 -0.921 30 20 DBED COCC[C@@H](NC(=O)C(=O)Nc1ccc(F)c(C#N)c1)C(N)=O 1324383180 RJBDUHQEIJBQSN-LLVKDONJSA-N 322.296 -0.358 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)C(=O)N2CCn3cncc3C2)C1 1326265332 GEOZTBVZRHJTRV-CQSZACIVSA-N 303.322 -0.898 30 20 DBED CC[C@H](NC(=O)C(=O)N1CC[C@@](O)(CC#N)C1)[C@H]1CCCO1 1329351064 MYPVNRRVEOWRAY-ZOWXZIJZSA-N 309.366 -0.063 30 20 DBED Cc1nc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)nn1C 1335850077 AXWNCSLESRDXRK-NSHDSACASA-N 317.353 -0.739 30 20 DBED CC1(C)CCN(CCNC(=O)C(=O)N2CCO[C@H](C#N)C2)C1 1336431865 RUFNNFJYXOJPLG-GFCCVEGCSA-N 308.382 -0.415 30 20 DBED C[C@H](CN1CCOCC1)NC(=O)C(=O)N1CCC[C@](C)(C#N)C1 1340480346 WWVGFKANDBHOOU-CZUORRHYSA-N 322.409 -0.024 30 20 DBED C#CCNC(=O)C1CCN(C(=O)NCCC[S@](C)=O)CC1 1340549794 SSPINOGPHAIIHZ-NRFANRHFSA-N 313.423 -0.074 30 20 DBED N#CCC1(CNC(=O)C(=O)NCCN2CCSCC2)CC1 1343810346 PDMKQVSKLZRZQF-UHFFFAOYSA-N 310.423 -0.039 30 20 DBED CN(CCOCCO)C(=O)C(=O)NCC1CCC(C#N)CC1 1343826062 IFTGBWJVFLKZQA-UHFFFAOYSA-N 311.382 -0.100 30 20 DBED C=CCOCCn1cnc2c(c(S(C)(=O)=O)nn2C)c1=O 1347631268 ZWOANYRXOQJPNO-UHFFFAOYSA-N 312.351 -0.264 30 20 DBED Cn1c(=O)[nH]c(NCc2ccc(CC(N)=O)cc2)c(C#N)c1=O 1364193961 OVSVUCIHGJYROR-UHFFFAOYSA-N 313.317 -0.415 30 20 DBED CCOC(=O)Cn1cnc(NC(=O)N2CC[C@@](O)(CC#N)C2)n1 1364400637 OCGLAUVIMKWNHF-ZDUSSCGKSA-N 322.325 -0.276 30 20 DBED CC(=O)NCC(=O)N1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H]1C 1370818308 KLXNLBZENBWSFI-CABZTGNLSA-N 317.349 -0.258 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@@H](CNC(=O)CCc2nc[nH]n2)C1 1384932948 BQMIBSLWFFTRCS-GARJFASQSA-N 304.354 -0.092 30 20 DBED C[C@H](C#N)C(=O)NC1CCN(C(=O)c2c[nH]c(C(N)=O)c2)CC1 1385362641 BTOWJBOZMCRVFQ-SECBINFHSA-N 317.349 -0.006 30 20 DBED C[C@H](CNC(=O)[C@@H]1COCCO1)NC(=O)c1cc(C#N)c[nH]1 1392277808 UPFHLAYOBDQLSP-SKDRFNHKSA-N 306.322 -0.464 30 20 DBED N#Cc1cn(CCC(=O)NCCn2cccc2)c(=O)nc1O 1411852145 UZCYRZIWWSJTOX-UHFFFAOYSA-N 301.306 -0.171 30 20 DBED N#Cc1ccc(NCC(=O)N2CCO[C@H](c3nn[nH]n3)C2)nc1 1412526519 LPCBCQDSGXZSEI-JTQLQIEISA-N 314.309 -0.522 30 20 DBED N#Cc1ccccc1OCCN1C[C@@H](C(N)=O)[C@@H](C(N)=O)C1 1414017535 PMZVSWRLTCYGGL-TXEJJXNPSA-N 302.334 -0.544 30 20 DBED C[C@H](CNC(=O)[C@H](C)C#N)NC(=O)Cc1nc2ncccn2n1 1415256730 KTUDHYMZHYBFDG-NXEZZACHSA-N 315.337 -0.553 30 20 DBED C=C(Cl)CN1CC(O)(CNC(=O)[C@@H]2CCN(C)C(=O)C2)C1 1440053080 DUQWBBNVNKOTBS-LLVKDONJSA-N 315.801 -0.230 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C(=O)[C@H]1CCNC(=O)C1)C1CC1 1455936632 XAGCSHYIAXSDFP-QWRGUYRKSA-N 306.366 -0.221 30 20 DBED C[C@H](NS(=O)(=O)N1CCO[C@H](C#N)C1)c1nccc(N)n1 1464233125 QQWOZXHUXSAEAL-DTWKUNHWSA-N 312.355 -0.821 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@@H](NC(=O)Cc2nonc2C)C1 1479966132 BSBOZYUNVGEGAG-VXGBXAGGSA-N 319.365 -0.751 30 20 DBED CCNC(=O)NC(=O)[C@H](C)N(CC)CCNC(=O)[C@@H](C)C#N 1480967192 BPZLKTBYLWAGCQ-QWRGUYRKSA-N 311.386 -0.182 30 20 DBED C#CCNCC(=O)N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1521170756 ABXUZSSUZDMFIH-HNNXBMFYSA-N 320.437 -0.246 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)CCNC(N)=O)CCCC1 1531631965 RTMVIEKQAYIYKZ-JTQLQIEISA-N 309.370 -0.250 30 20 DBED C[C@H](C#N)C(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nn[nH]n1 1573585662 HQSXGJKTCNXUKY-SSDOTTSWSA-N 317.313 -0.475 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N1CC[C@]2(CNCCO2)C1 1575045112 DHSFKGBAIAALDY-RYUDHWBXSA-N 302.400 -0.613 30 20 DBED CCN1C[C@@H](CNc2cnc(-c3nn[nH]n3)c(C#N)n2)CC1=O 1578215196 KFAICMBQRBABOW-MRVPVSSYSA-N 313.325 -0.191 30 20 DBED CN1CC[C@H](CNc2cnc(-c3nn[nH]n3)c(C#N)n2)CC1=O 1579347943 QWIIBLKVLPVXCK-QMMMGPOBSA-N 313.325 -0.191 30 20 DBED C[C@@H](C(=O)N(C)c1ccc(C#N)nc1)n1cnc(-c2nn[nH]n2)n1 1588943373 LLVDHWSYQGZXFR-QMMMGPOBSA-N 324.308 -0.051 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)NC1(C(=O)O)CC(CO)C1 1589330908 UOVSFWPGLYLPAA-FKTRJACZSA-N 305.356 -0.862 30 20 DBED N#Cc1ccc([C@H](O)C(=O)OCC(=O)NCCC(=O)O)cc1 1601096397 UTUFNAGOAVPFAV-ZDUSSCGKSA-N 306.274 -0.274 30 20 DBED C#CC[C@@H]1CCCN(C(=O)Cn2cnc(-c3nn[nH]n3)n2)C1 1602698961 BJTRSSBBYAICOI-SNVBAGLBSA-N 300.326 -0.280 30 20 DBED C[C@@H](C#N)CN(C)C(=O)C(=O)Nc1cccc(-c2nn[nH]n2)n1 1602983693 MEPCSBSZQPKDKP-QMMMGPOBSA-N 314.309 -0.182 30 20 DBED N#CCN1CC[C@@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1606350165 QXMVSGXEFDIDHF-VIFPVBQESA-N 300.326 -0.230 30 20 DBED Cn1c(=O)[nH]c(N2C[C@H]3CC[C@H]2[C@H](C(=O)O)C3)c(C#N)c1=O 1608075385 AZNKSZPAAODGKI-XKSSXDPKSA-N 304.306 -0.365 30 20 DBED N#Cc1ncn(CCNS(=O)(=O)c2cncc(C(=O)O)c2)n1 1608224936 KQYFSHDEHGLZJF-UHFFFAOYSA-N 322.306 -0.779 30 20 DBED N#Cc1ncn(CCNC(=O)NC[C@H]2CCCS2(=O)=O)n1 1649832202 KAGFSZMKKCZOJP-SECBINFHSA-N 312.355 -0.974 30 20 DBED C=CCNC(=O)CNC[C@H]1CCN(C(=O)c2[nH]nnc2C)C1 1752948097 QURXFCJRHSGWKK-LLVKDONJSA-N 306.370 -0.533 30 20 DBED C=CCN1CC[C@@H](N(C)CCNC(=O)[C@H]2CCNC(=O)C2)C1=O 1753046104 MKGWKHPXSMGNGU-QWHCGFSZSA-N 322.409 -0.653 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC[C@@H]1CNC(=O)CCN(C)C 1753111387 HSLREBKTQDTIME-UONOGXRCSA-N 308.426 -0.343 30 20 DBED COCC#CCN1CC[C@H](CNC(=O)CCCCNC(N)=O)C1 1753128493 CVECRROGJLPGBJ-CQSZACIVSA-N 324.425 -0.087 30 20 DBED C#CCNC(=O)[C@H](C)NCCN(C)C(=O)c1cc(OC)ccn1 1753219405 OHXQJZCVAZPSAE-LBPRGKRZSA-N 318.377 -0.110 30 20 DBED C#CCNC(=O)[C@H](C)NCCN(C)C(=O)C1(C(=O)NC)CCC1 1753254957 WFDMZNKANMWGOH-LBPRGKRZSA-N 322.409 -0.911 30 20 DBED CN(C(=O)c1cncn1C)[C@@H]1CCN(CC(=O)NCC#N)C1 1753440882 XSYLZYQSPADGIP-LLVKDONJSA-N 304.354 -0.794 30 20 DBED C=CCNC(=O)CNC[C@H](C)N(C)C(=O)c1ccnc(OC)n1 1753701852 SJTFLPUUOHKSED-NSHDSACASA-N 321.381 -0.163 30 20 DBED C=CCN1CC[C@@H](N2CCC[C@@](C)(CNC(=O)C(N)=O)C2)C1=O 1754729540 LVQCEBXAYIOUKI-WBMJQRKESA-N 322.409 -0.523 30 20 DBED Cn1cc(CN2CC(O)(CNC(=O)CSCC#N)C2)cn1 1754763185 JMHXEGUVLZEPSG-UHFFFAOYSA-N 309.395 -0.660 30 20 DBED COCC#CCN1CC(O)(CNC(=O)[C@@H]2CCC2(F)F)C1 1754769360 WTOBJCCMKAHPCX-NSHDSACASA-N 302.321 -0.156 30 20 DBED C=CCOCC(=O)N1CCC(O)(CNCC(=O)NCC)CC1 1755147523 BYCMEJGHZVGLNF-UHFFFAOYSA-N 313.398 -0.732 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)CCCCNC(N)=O)C2)C1 1755401569 IVCQNXPYVZAZAG-INIZCTEOSA-N 322.409 -0.239 30 20 DBED C=CCn1cc(C(=O)N(C)C[C@H](C)N[C@H]2CCNC2=O)nn1 1755608767 IQAXBCZSHXACBL-QWRGUYRKSA-N 306.370 -0.597 30 20 DBED C=CCN1CC[C@@H](N[C@@H](CO)CNC(=O)C2CC=CC2)C1=O 1755626442 GYCMENCDCROYTE-ZIAGYGMSSA-N 307.394 -0.194 30 20 DBED C#CCCN[C@@H](CO)CNC(=O)c1coc2c1C(=O)NCCC2 1755635873 VJSQSLBIGOHGIN-LLVKDONJSA-N 319.361 -0.341 30 20 DBED C=C(C)CN(C)C[C@H](O)CN(C)C(=O)[C@@H](C)NS(C)(=O)=O 1755806049 XDNHXNOVLODIDB-NEPJUHHUSA-N 321.443 -0.749 30 20 DBED C=C(C)CN(C)C[C@@H](O)CN(C)C(=O)c1cn(C)c(=O)nc1O 1755808468 XAAWEOBMPYFQLK-LLVKDONJSA-N 324.381 -0.573 30 20 DBED C=CCOCCNC1CC(N(C)C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 1755862588 QGAHECSICFHHBT-MCIGGMRASA-N 324.381 -0.634 30 20 DBED C=CCOCC(=O)N[C@@H](C)C1CN(C(=O)c2cc(=O)n(C)o2)C1 1756130310 NQSNETUWLMCHLM-JTQLQIEISA-N 323.349 -0.242 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@H](CO)NC(=O)c1oncc1C 1756515730 OMRMPWMXNKIWBT-QMTHXVAHSA-N 311.338 -0.483 30 20 DBED CC(C)C#CC(=O)N[C@H]1C[C@@H](C)N(C(=O)Cn2ncnn2)C1 1756595913 UCOJIHMXYMHGBJ-NEPJUHHUSA-N 304.354 -0.562 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H](O)CN(C)C(=O)c1[nH]cnc1C 1756670358 XGQDAONQELRSLU-RYUDHWBXSA-N 322.365 -0.694 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(C(=O)[C@H](C)n2cccn2)C[C@H]1O 1756993731 MGHPJRLEWYIGSU-BFHYXJOUSA-N 318.377 -0.209 30 20 DBED C=C(C)CCC(=O)N1C[C@H](O)[C@H](NC(=O)[C@H]2CC(=O)N(C)C2)C1 1757181244 KSBMQXPPFZCJGQ-XQQFMLRXSA-N 323.393 -0.491 30 20 DBED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3C[C@@H]3F)C2)C1 1782937498 LJWQEDCZEKXJGE-ZIBATOQPSA-N 324.308 -0.738 30 20 DBED CC(=O)NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC#N)[C@H]2C1 1786369468 UOWOPIALNBXTIU-AVGNSLFASA-N 322.365 -0.984 30 20 DBED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(=O)CC)CCO2 1839833420 YMIYRMOQPWPKMC-MRXNPFEDSA-N 324.377 -0.002 30 20 DBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCOC1)CCO2 1840540053 PEXQIHZKXCXPTP-CJNGLKHVSA-N 322.361 -0.888 30 20 DBED C[C@@H](NC=O)C(=O)N1CCCC12CN(C(=O)C(C)(C)C#N)C2 1845176416 XIXHNGQGEVMPAP-LLVKDONJSA-N 306.366 -0.126 30 20 DBED C#CCN1CCN(C(=O)CN2CC[C@H](OCCOCC)C2)CC1 157594319 HIOSGIVPEBDQLU-INIZCTEOSA-N 323.437 -0.109 30 20 DBED C#CCC(C)(C)C(=O)N[C@@H](C)C(=O)N1CCS(=O)(=O)CC1 186173173 DCMXROJXIHHLQR-NSHDSACASA-N 314.407 -0.202 30 20 DBED CC(C)(Oc1ccc(C#N)cc1)C(=O)NCC(=O)NCCO 269527182 ISZIOHAIRAAMKW-UHFFFAOYSA-N 305.334 -0.060 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N1CCO[C@H](COC)C1 272909544 DCHFIKOAPWYQRE-NSHDSACASA-N 306.384 -0.356 30 20 DBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Cn1ccc(=O)n(C)c1=O 281610535 WLFZBGDUJQROOG-FZMZJTMJSA-N 307.350 -0.356 30 20 DBED C#C[C@H](NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)C(C)C 282287393 XBXPATXSDOAXAN-JTQLQIEISA-N 317.349 -0.792 30 20 DBED C[C@@H]1C(=O)N(C)S(=O)(=O)N1CC(=O)Nc1cccc(C#N)c1 283409625 ANNAWVDUYHHPCJ-SECBINFHSA-N 322.346 -0.096 30 20 DBED CN(C)S(=O)(=O)N(CC#N)CC(=O)NCc1ccco1 283471542 GRRJOZIXZXEGNY-UHFFFAOYSA-N 300.340 -0.472 30 20 DBED C=C[C@H](CO)Nc1nc(NCCOC)nc(N[C@H](C=C)CO)n1 291255330 YQURSAPSLAHJSO-GHMZBOCLSA-N 324.385 -0.153 30 20 DBED C#CCNC(=O)CCN1CCCC[C@H]1C(=O)N1CCOCC1 293052668 KQRWLOWBVANKJP-AWEZNQCLSA-N 307.394 -0.161 30 20 DBED CC(C)N1C[C@@H](/N=C(/O)CN2CCS(=O)(=O)CC2)CC1=O 329646020 AXEGFGCTVCCHBG-NSHDSACASA-N 317.411 -0.317 30 20 DBED CC(C)N1C[C@H](/N=C(/O)N2C[C@@H]3OCCN(C)[C@@H]3C2)CC1=O 329963169 TVTSTUFVMYZRPQ-UPJWGTAASA-N 310.398 -0.076 30 20 DBED CCC/N=C(/O)NC(=O)CN1CCC[C@@H]1CS(=O)(=O)NC 331152940 IUUIAHFDFAZHGW-SNVBAGLBSA-N 320.415 -0.560 30 20 DBED CN(CCC#N)S(=O)(=O)N1CCC[C@H](CS(C)(=O)=O)C1 340176739 DLZOAEGBTUXBJI-NSHDSACASA-N 323.440 -0.167 30 20 DBED CO[C@H]1CN(CC#CCN2C[C@@H](OC)[C@H](OC)C2)C[C@@H]1OC 342127268 KKISPJSORPNZTC-RUPPMWDTSA-N 312.410 -0.319 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@H]2CC[C@H]2C(=O)OC)CC1 349445719 BOYVGXDCOGFGRV-QWHCGFSZSA-N 323.393 -0.368 30 20 DBED Cn1cnc2cc(S(=O)(=O)NCC(=O)NCC#N)ccc21 352527773 FBWZBZQVPHEZTP-UHFFFAOYSA-N 307.335 -0.509 30 20 DBED CS(=O)(=O)NCCNS(=O)(=O)CC1(C#N)CCCCC1 355562812 OVWISPPSWRTANS-UHFFFAOYSA-N 323.440 -0.071 30 20 DBED N#C[C@]1(NC(=O)CNC(=O)COc2ccccc2)CCOC1 358447492 QKRMTMSRBUKWQQ-OAHLLOKOSA-N 303.318 -0.020 30 20 DBED C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCC(C)(C)C#N 359644934 FYBCRPQXSLDXOV-VIFPVBQESA-N 313.383 -0.247 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCNC(=O)C1(C)C 407954787 HSIASHYPJMNAFQ-JTQLQIEISA-N 302.400 -0.077 30 20 DBED C=CCn1cc(CNC(=O)NCCS(=O)(=O)N(C)C)nn1 425544021 CXKQDDCQZBBKKX-UHFFFAOYSA-N 316.387 -0.845 30 20 DBED CN(C)CCN1CCC(CNC(=O)Cn2cnc(C#N)n2)CC1 426754386 PUEJMAKEADVEMO-UHFFFAOYSA-N 319.413 -0.460 30 20 DBED CC[C@H](C)N1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 451970956 MINMTNBDFFCJHI-STQMWFEESA-N 316.427 -0.128 30 20 DBED C#CCN1CCN(C(=O)CN2C[C@H](SC)[C@@H](N(C)C)C2)CC1 491181653 VFUNVHDKVLLKRD-GJZGRUSLSA-N 324.494 -0.259 30 20 DBED C#CCN(C)CCCNC(=O)N1CCS(=O)(=O)C[C@H]1C 491486409 VZGCBMYDVSCWQB-GFCCVEGCSA-N 301.412 -0.230 30 20 DBED CN(C)C(=O)CCNCCS(=O)(=O)c1ccc(C#N)cn1 562988224 MXWOARPYUBVMLD-UHFFFAOYSA-N 310.379 -0.205 30 20 DBED N#CC1(NC(=O)CN2[C@H]3C[C@H]4[C@H]([C@@H]3O)[C@@H]3C[C@H]4[C@@H](O)[C@H]32)CCC1 563215836 HJZAVYQKQXMSRZ-VMBRXGOQSA-N 317.389 -0.391 30 20 DBED N#CC1CN(C(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)C1 590486273 CSVPKQLVVVMION-WDEREUQCSA-N 311.363 -0.996 30 20 DBED COC[C@@](C)(C#N)NC(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1 599675129 OJGDGTZNSUVZIB-IINYFYTJSA-N 305.338 -0.182 30 20 DBED CC1(C)CN(S(=O)(=O)N2CCN(CCC#N)CC2)CCO1 601536559 QQZBUICFNAJNPS-UHFFFAOYSA-N 316.427 -0.127 30 20 DBED C=C[C@H](CO)N[C@@H](C)C(=O)N1CCN(c2ncccn2)CC1 662167716 GLPSXZWCJSGOKE-QWHCGFSZSA-N 305.382 -0.350 30 20 DBED N#Cc1cccnc1NCCNC(=O)N1CCCNC(=O)C1 726849234 PBHNSTRBENUIDI-UHFFFAOYSA-N 302.338 -0.103 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](CN(C)C)C(C)C)C1=O 733167927 PKVCKSFHVDWIDN-LLVKDONJSA-N 324.381 -0.334 30 20 DBED C#CCN(C(=O)CCSCC(=O)O)[C@@H]1CCS(=O)(=O)C1 736076615 JPZSKXSSUALMKG-SNVBAGLBSA-N 319.404 -0.157 30 20 DBED CN1CCN(N=Cc2cnc(N3CCN(C)CC3)nc2)CC1 755465041 FCYGPDRVRSUUAV-UHFFFAOYSA-N 303.414 -0.190 30 20 DBED C#CCNC(=S)N1CCN(S(=O)(=O)N(CC)CC)CC1 758193414 SFADXLHGQUJAGW-UHFFFAOYSA-N 318.468 -0.302 30 20 DBED C#CCSCCNC(=O)N1CCN(CC(=O)N(C)C)CC1 770396812 KRHOZQPKJALNDE-UHFFFAOYSA-N 312.439 -0.232 30 20 DBED O=C(O)Cn1cc(C=NNC2=NC(=O)C(=O)N2)c2ccccc21 799884778 KDOFEDYMMWITES-UHFFFAOYSA-N 313.273 -0.338 30 20 DBED C#C[C@H](NC(=O)C(=O)NCCOC[C@H]1CCOC1)[C@H]1CCCO1 804932135 CJBXSOSTWDPFRZ-MELADBBJSA-N 324.377 -0.547 30 20 DBED C#CCOCCNC(=O)N1CCC[C@H]1C[C@]1(C)NC(=O)NC1=O 807107062 XTTZAAPHKCHKOZ-NHYWBVRUSA-N 322.365 -0.202 30 20 DBED CN(C)c1c(C=NNc2ncccn2)c(=O)n(C)c(=O)n1C 807962971 SGLWYNAKCYMYBG-UHFFFAOYSA-N 303.326 -0.614 30 20 DBED N#Cc1nc(N)n(CCOC[C@@H]2CCCO2)c1-c1nn[nH]n1 822846154 PQVXLLQSFWPPAW-QMMMGPOBSA-N 304.314 -0.287 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@@]23CCC[C@@H]2C3)CC1 828751861 YSCGVHGZEPTUAR-TZMCWYRMSA-N 311.407 -0.212 30 20 DBED CC(C)[C@@H](C#N)N1CCN(C(=O)Cn2cnc(C(=O)O)n2)CC1 833467467 VSVBFVYICNYGIE-LLVKDONJSA-N 320.353 -0.331 30 20 DBED O=C(N[C@@H]1CCCN(O)C1=O)c1cn(-c2cccnc2)nn1 848132653 TXWHHZJARFKBLK-SNVBAGLBSA-N 302.294 -0.228 30 20 DBED CON(C)C(=O)[C@@H](C)NC(=O)C(=O)Nc1ccc(C#N)c(C)n1 862173464 BALDZPZOPZWYQI-SECBINFHSA-N 319.321 -0.275 30 20 DBED C#CC[C@H](CCOC)NC(=O)c1nc(C)n(-c2nc[nH]n2)n1 863790739 OHONQMSTCTYHLR-SNVBAGLBSA-N 303.326 -0.148 30 20 DBED C#C[C@@H](NC(=O)NCCCS(=O)(=O)NC)[C@H]1CCCO1 868940795 WFXRNHYZRRDZQP-GHMZBOCLSA-N 303.384 -0.594 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)NCCCn1cccn1 875038612 JNBDTGIFYDWNIY-CYBMUJFWSA-N 306.366 -0.066 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1CO 886349902 CWTWYJCCOZEOMO-GFCCVEGCSA-N 311.382 -0.351 30 20 DBED C#CC1(O)CN(C(=O)[C@@H]2CC(=O)N(C[C@H]3CCCN3CC)C2)C1 890522407 GUPPSSLZNPLBQW-ZIAGYGMSSA-N 319.405 -0.474 30 20 DBED C#CC1(O)CN(C(=O)c2ccc([C@]3(C)NC(=O)NC3=O)cc2)C1 890523286 NWAMNTDYFBEQSR-HNNXBMFYSA-N 313.313 -0.439 30 20 DBED C#CCN1CCC[C@H](NC(=O)C(=O)Nc2cnc(C)nc2)C1 891605212 CGCJFJRXGNVTLG-LBPRGKRZSA-N 301.350 -0.063 30 20 DBED N#C[C@H]1CN(C(=O)NCCCN2CCNCC2)CCN1C1CC1 891968134 GIQKXIUPZZJONX-HNNXBMFYSA-N 320.441 -0.337 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCN[C@H](c2cnn(C)c2)C1 913455918 FKQWIAYCLBYWNU-GJZGRUSLSA-N 301.394 -0.009 30 20 DBED CCN(C[C@@H](C)C#N)C(=O)COC(=O)CN1CCCNC1=O 919109418 WHKGGJAWRZQHRL-NSHDSACASA-N 310.354 -0.047 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H](C)[C@@H]1CN(C)CCN1C 919991766 XWXLQFCJFUOYHZ-AGIUHOORSA-N 317.459 -0.453 30 20 DBED C#CCN1CCC[C@@H](NC(=O)c2cnn(C[C@H](O)CO)c2)C1 923557336 LXEYDNXOUSHNGI-KGLIPLIRSA-N 306.366 -0.936 30 20 DBED C#CCN1CC[C@@H](NC(=O)Cn2ccc(O)nc2=O)[C@H](C)C1 942313534 JFQBVHMBWCMKGV-VXGBXAGGSA-N 304.350 -0.591 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2CC[C@H](NC(=O)C(N)=O)CC2)[nH]1 943680041 FERMYMHJZDUDNF-KYZUINATSA-N 303.322 -0.471 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H]1CNC(=O)c1cn(C)c(=O)cn1 944249832 RYUPHHDQEOMPSQ-WDEREUQCSA-N 317.349 -0.339 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@]2(CCN(C(=O)Cn3ncnn3)C2)C1 953173936 REUSDGBWFUSBQG-FZMZJTMJSA-N 317.353 -0.716 30 20 DBED C[C@H](C#N)C(=O)N1CCC(N(C)C(=O)[C@H]2CNC(=O)N2)CC1 954244938 BOWNAIZZLWGFDT-MWLCHTKSSA-N 307.354 -0.723 30 20 DBED COCC(=O)N1CCN([C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)CC1 956575856 MQJKOCRRSLCGBA-QWHCGFSZSA-N 308.382 -0.462 30 20 DBED C=C(C)CN1C[C@@H](O)[C@@H](CNC(=O)c2cn(C)ccc2=O)C1 958248895 QBLVKLNLPFWICM-SWLSCSKDSA-N 305.378 -0.016 30 20 DBED CC(=O)Nc1cc(C(=O)NC[C@@H]2CN(CC#N)C[C@@H]2O)ccn1 958488500 BBLGDKSSTRGILT-OLZOCXBDSA-N 317.349 -0.414 30 20 DBED N#CCN1C[C@@H](O)[C@@H](CNC(=O)c2ncoc2-c2ccon2)C1 958593892 CTOSIJYHSXZKLK-GXSJLCMTSA-N 317.305 -0.124 30 20 DBED Cn1ncnc1CN1C[C@H]2C(NC(=O)c3ccc(C#N)[nH]3)[C@@H]2C1 958601642 GCAHQBPWQOAFIC-GHMZBOCLSA-N 311.349 -0.125 30 20 DBED CS[C@H](C)C(=O)N1C[C@H](O)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 962328116 BVJRCMQGEOYPIL-FXAINCCUSA-N 322.390 -0.061 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(C[C@H](NC(=O)c3cnco3)CO2)C1 965760140 WCWPCHYCUDGXBV-UWVGGRQHSA-N 304.306 -0.066 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)Cn3ncnn3)C[C@@H]2C)C1 966460513 CNJVZEGZDUHPRV-NWDGAFQWSA-N 318.381 -0.008 30 20 DBED C=C1CC(C)(C(=O)N2C[C@H](C)[C@@H](NC(=O)Cn3cnnn3)C2)C1 966795786 RVLGUKUWGHDTAQ-RYUDHWBXSA-N 318.381 -0.008 30 20 DBED CCN(C(=O)[C@@H]1COCCN1C)C1CN(C(=O)[C@H](C)C#N)C1 967886444 KLPXJRAAPJRSKW-YPMHNXCESA-N 308.382 -0.464 30 20 DBED C#CCCN1CC[C@H](C)[C@H](NC(=O)Cn2c(O)nnc2O)C1 968592678 OLOLPCPMEWUUCX-WDEREUQCSA-N 307.354 -0.461 30 20 DBED C=CCN[C@@H]1CCN(C(=O)Cn2nc3n(c2=O)CCCC3)C1 970428440 GZVUHDOYXKCCRJ-GFCCVEGCSA-N 305.382 -0.242 30 20 DBED CN(CC#N)[C@H]1CCN(C(=O)CN2CCCS2(=O)=O)C1 971641866 PCJMBKALBGEKND-NSHDSACASA-N 300.384 -0.922 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H](N(C)[C@H]3CCNC3=O)C2)nn1 972502441 WIZJBAKMIJHVTK-AAEUAGOBSA-N 318.381 -0.501 30 20 DBED C#CCCN1CCO[C@]2(CCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)C1 972554595 QQLWVQXTKDMHEH-DVOMOZLQSA-N 305.378 -0.566 30 20 DBED C[C@@H](C#N)C(=O)N1CCCN(CC(=O)N2CCO[C@H](C)C2)CC1 980850359 STROSIUNQDSCNS-UONOGXRCSA-N 322.409 -0.072 30 20 DBED C=CCN[C@H]1C[C@@H](C)N(C(=O)c2cc(=O)n3[nH]cnc3n2)C1 989673133 SOCQTQQHKJMLCE-ZJUUUORDSA-N 302.338 -0.204 30 20 DBED C=CCCn1cc(C(=O)N[C@H]2CCN(C(=O)CC)C[C@@H]2O)nn1 991497527 GDNXABJOTSNZDJ-AAEUAGOBSA-N 321.381 -0.044 30 20 DBED C[C@@H]1[C@@H](NC(=O)CN2CCC(=O)NC2=O)CCCN1CC#N 994170126 UWMZKLHKVWLWGL-MNOVXSKESA-N 307.354 -0.579 30 20 DBED C#CCCN1CCC[C@H](NC(=O)Cn2c(O)nnc2O)[C@@H]1C 994294586 HLJMAYAZFDBTHY-QWRGUYRKSA-N 307.354 -0.318 30 20 DBED C=CCN[C@@H]1CN(C(=O)CN2CC(=O)N(C)C2=O)CC1(C)C 996510317 DGJOPHCOJMLWKD-LLVKDONJSA-N 308.382 -0.107 30 20 DBED C#CCN[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 999144207 JZBOZRYXGRCGIE-OLZOCXBDSA-N 315.377 -0.024 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)CN2CCOCC2)C1 1000006013 UKEXBDYQQPENDY-KGLIPLIRSA-N 323.393 -0.763 30 20 DBED C[C@H]1CCN(C(=O)C(N)=O)C[C@@H]1NC(=O)c1cc(C#N)c[nH]1 1004666962 BMUPYGXBFUJCMQ-KWQFWETISA-N 303.322 -0.662 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2CN(C(=O)C(N)=O)CC[C@H]2C)c1 1005257753 IGPCFPMHYBKZPY-ZWNOBZJWSA-N 314.345 -0.485 30 20 DBED C[C@H](NC(=O)c1c[nH]c(C(N)=O)c1)C1CN(C(=O)[C@H](C)C#N)C1 1006116280 HQYNXVPXJHHIOR-BDAKNGLRSA-N 317.349 -0.150 30 20 DBED C#CCN1CCC(N(C)C(=O)CN2C(=O)NC(C)(C)C2=O)CC1 1006369309 HJTLBJYVLWMQLN-UHFFFAOYSA-N 320.393 -0.127 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C(=O)c2ccc(N(C)C)nn2)CC1 1011672481 PZZKXXKGVNMVAB-LLVKDONJSA-N 316.365 -0.013 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@H](NCc2n[nH]c(C)n2)C1 1018986343 ZHBVHBSCFKUNDU-KBPBESRZSA-N 316.409 -0.099 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccon2)C1 1023136731 FOJKPOBVBCMWEW-JHEVNIALSA-N 321.333 -0.433 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1[C@@H]2CN([C@H]3CCNC3=O)C[C@@H]21 1025814013 BISYPRLEQRZJFU-AIEDFZFUSA-N 316.405 -0.981 30 20 DBED C#CCN1[C@H]2CC[C@H]1CN(C(=O)[C@H]1CCc3nnnn3CC1)C2 1029483142 IODLMHMWGXGLNF-IHRRRGAJSA-N 314.393 -0.066 30 20 DBED C=CCN1[C@H]2CC[C@H]1CN(C(=O)CC[C@H]1NC(=O)NC1=O)C2 1029577324 NGAJWLUZDMRUOL-SDDRHHMPSA-N 306.366 -0.164 30 20 DBED N#Cc1cc(CN2C[C@@H]3C[C@H]2CN3C(=O)C(N)=O)ccc1F 1032596463 DIJYZOWBUDKXJV-RYUDHWBXSA-N 302.309 -0.032 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)[C@@H]2CCc3nnn(C)c3C2)C1 1035492620 ZAYSCEAATNZQQP-OLZOCXBDSA-N 317.393 -0.630 30 20 DBED C=CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)c1ccc(S(N)(=O)=O)o1 1037489135 KFCDSAXTMPSZSV-PTRXPTGYSA-N 311.363 -0.085 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@](O)(CNC(=O)c2cnnn2C)C1 1039600589 FCMGWXVYWKYWDP-HNNXBMFYSA-N 321.381 -0.280 30 20 DBED C#CCCCC(=O)N1CC[C@@](O)(CNC(=O)c2cn(C)nn2)C1 1039616907 YPTMTFSXRVHFQJ-OAHLLOKOSA-N 319.365 -0.688 30 20 DBED CCCOCC(=O)N1CC[C@@](O)(CNC(=O)C#CC2CC2)C1 1039677227 GBKDNUVZHUFALQ-MRXNPFEDSA-N 308.378 -0.094 30 20 DBED C[C@H]1[C@@H](Nc2cnc(C#N)cn2)CCN1C(=O)[C@@H]1COC(=O)N1 1040112413 FRBSIBYMONLSSC-LSJOCFKGSA-N 316.321 -0.142 30 20 DBED Cc1cc(CC(=O)N2CC[C@@](O)(CNC(=O)[C@@H](C)C#N)C2)n[nH]1 1040759984 FFVQJIFSAZCJOT-ZUZCIYMTSA-N 319.365 -0.500 30 20 DBED C[C@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)c2cc(C#N)c[nH]2)C1 1040759988 FGPMCVFEJDZCTO-BMIGLBTASA-N 315.333 -0.261 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2cccn2C)C1 1041508476 JKDPWCWHMFUEQA-LBPRGKRZSA-N 319.361 -0.634 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(O)(CNC(=O)[C@H]2CC2(F)F)C1 1042911813 WYMXAHMELTXJSC-BXKDBHETSA-N 318.320 -0.342 30 20 DBED C=CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)c2cc(C)no2)C1 1043569398 WLALWZTYJKDCJA-LLVKDONJSA-N 323.349 -0.123 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)c2c[nH]nc2C)C1 1044345242 DBFKFZXKKNRRLJ-UHFFFAOYSA-N 304.350 -0.175 30 20 DBED O=C(NCC1(O)CN(C(=O)C#CC2CC2)C1)c1cccnn1 1045231401 DTHINLMKSMSGTH-UHFFFAOYSA-N 300.318 -0.807 30 20 DBED C[C@H]1CCN(CC(=O)N2CC(O)(CNC(=O)[C@@H](C)C#N)C2)C1 1045554312 CACYRTLZIBWVQJ-RYUDHWBXSA-N 308.382 -0.823 30 20 DBED CN(C(=O)[C@H]1CCc2nccn2C1)[C@H]1CN(CC#N)C[C@@H]1O 1047432373 NKPHEIZBRUNHSL-AVGNSLFASA-N 303.366 -0.527 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)COC(C)C)C1 1048486956 XNDOINKFLAAIKB-STQMWFEESA-N 314.382 -0.356 30 20 DBED C=C(C)CN1C[C@H]2CN(C(=O)CN3C(=O)CNC3=O)C[C@H]2C1 1049205410 KPXILSLUEOINIC-TXEJJXNPSA-N 306.366 -0.496 30 20 DBED C[C@@H]1[C@@H](NC(=O)Cc2nc[nH]n2)CCN1c1nccnc1C#N 1050597879 YRLZFQNTWOXLBT-ZJUUUORDSA-N 312.337 -0.208 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)[C@@H]1CCCN(C(N)=O)C1 1051017953 UFPXWJOBNGLVLD-OLZOCXBDSA-N 308.382 -0.773 30 20 DBED CCn1cc(CNC[C@@H]2CN(C(=O)[C@H](C)C#N)CCO2)nn1 1051495255 SQNJBWKMQMFUMC-DGCLKSJQSA-N 306.370 -0.225 30 20 DBED CN1CC[C@H](C(=O)N2CC[C@H](N3CCN(CC#N)CC3)C2)C1=O 1052065945 QAFMSHCPLCSKHU-KBPBESRZSA-N 319.409 -0.793 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2nnn(C)n2)C[C@@H]1C 1053172285 UUAFUDVPPBDFEQ-QWRGUYRKSA-N 322.369 -0.763 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC2(CN(CC(=O)N3CCCC3)C2)C1 1053187376 KOUHINBKMJZYAZ-ZDUSSCGKSA-N 320.393 -0.318 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)[C@@]1(CC)CCNC1=O)CCO2 1053291974 PEQWSTFVKOENFA-KRWDZBQOSA-N 319.405 -0.161 30 20 DBED C=CCCN1CC2(C1)CN(C(=O)[C@H]1CN(C)C(=O)N1)CCO2 1053375122 ZUEGZSAPTZAZFX-GFCCVEGCSA-N 308.382 -0.501 30 20 DBED C#CCN1CC2(CC[C@H](CNC(=O)c3cn(C)c(=O)n3C)O2)C1 1053700964 JCGAJMROZZNFTC-GFCCVEGCSA-N 318.377 -0.680 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)[C@@H]3CCCNC3=O)CO2)C1 1053836326 VOPOMVFVOPMDQC-CHWSQXEVSA-N 305.378 -0.505 30 20 DBED COc1c(C(=O)N[C@@H]2COC3(C2)CN(CC#N)C3)cnn1C 1053994959 QOLXXPPLNADMLI-JTQLQIEISA-N 305.338 -0.475 30 20 DBED C=C(C)CCC(=O)N1C[C@H]2CN(C(=O)Cn3ncnn3)C[C@H]2C1 1055349717 HONWKPYCKYMRPS-BETUJISGSA-N 318.381 -0.054 30 20 DBED N#Cc1cnc(N2CCN(C(=O)[C@H]3CC[C@@H]3C(N)=O)CC2)cn1 1055969983 FAIIDNZOSRRONA-RYUDHWBXSA-N 314.349 -0.492 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@](CO)(NC(=O)c2cnco2)C1 1056023152 KOEMUGXUTORXQC-YGRLFVJLSA-N 306.322 -0.082 30 20 DBED C=C[C@@](C)(CC)C(=O)N1CCC[C@](CO)(NC(=O)C(N)=O)C1 1056087784 KDDALHJICWCMBV-GJZGRUSLSA-N 311.382 -0.456 30 20 DBED C[C@H](C#N)C(=O)N[C@@]1(CO)CCCN(C(=O)C2=COCCO2)C1 1056093743 NVGCBHHBTUBEHL-ABAIWWIYSA-N 323.349 -0.496 30 20 DBED N#Cc1cnc(NC2CC3(CC(NC(=O)C(N)=O)C3)C2)cn1 1056536628 ZDAACZNXAYEOOU-UHFFFAOYSA-N 300.322 -0.327 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)c1cnccn1 1056833457 GALAIKRVYHVZCU-UHFFFAOYSA-N 304.350 -0.169 30 20 DBED C=C[C@H](CC)CC(=O)NCCN(CCO)C(=O)c1cn(C)nn1 1057495550 NKBFCFZHTTXIGW-GFCCVEGCSA-N 323.397 -0.032 30 20 DBED N#Cc1nccnc1N[C@H]1CCCN(C(=O)Cn2cnnn2)C1 1057585736 IJFWZJHLJUKGBD-JTQLQIEISA-N 313.325 -0.562 30 20 DBED C=CCCOCC(=O)N(CCO)CCNC(=O)Cn1ccnc1 1057920095 HSIBPKXKPMWUOQ-UHFFFAOYSA-N 324.381 -0.587 30 20 DBED CC(C)[C@@H](C(=O)NCCN(CCO)C(=O)[C@H](C)C#N)N(C)C 1058655041 OQGOCLLGAXYCLQ-OLZOCXBDSA-N 312.414 -0.331 30 20 DBED N#Cc1nc(=N[C@H]2C[C@@H](NC(=O)[C@H]3CCCNC3=O)C2)cc[nH]1 1059740100 DZCSBNVJVNFQOP-AXFHLTTASA-N 314.349 -0.645 30 20 DBED Cc1cc(C#N)nc(N[C@@H]2CC[C@H]3CN(C(=O)C(N)=O)C[C@@H]32)n1 1060552390 DYFVJLDCVAIJET-ZMLRMANQSA-N 314.349 -0.209 30 20 DBED C=CCCC(=O)NC[C@H]1COCCN1C(=O)C1CN(C(C)=O)C1 1061406446 JDVLRTKSAPELCH-AWEZNQCLSA-N 323.393 -0.226 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@H]1COCCN1C(=O)c1cnn[nH]1 1061538957 UUULMSWTQOXQQC-QMTHXVAHSA-N 323.353 -0.911 30 20 DBED N#Cc1cncc(N2C[C@@H]3C[C@H]2CN3C(=O)C2(C(N)=O)CC2)n1 1062567557 SFQOJOUSEWTLRA-QWRGUYRKSA-N 312.333 -0.597 30 20 DBED N#CCSCC(=O)NC[C@H]1CN(C(=O)c2cn[nH]c2)CCO1 1064895017 BWUIRXLZMALKQS-NSHDSACASA-N 323.378 -0.376 30 20 DBED C=CCOCC(=O)N1CCO[C@@H](CNC(=O)c2ccn(C)n2)C1 1064971510 CATWRYILBDIBFM-LBPRGKRZSA-N 322.365 -0.420 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)[C@H]2CCNC(=O)C2)CCO1 1065041299 UXYBKQZVZCCRHC-STQMWFEESA-N 323.393 -0.178 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCO[C@@H](CNC(=O)c2ccon2)C1 1065151667 BDXGCQZPJALZFC-RYUDHWBXSA-N 321.333 -0.330 30 20 DBED C[C@@]1(NC(=O)[C@H]2CCNC2=O)CCN(c2ccc(C#N)nn2)C1 1065312582 SJWFDWXKYIRGJC-XHDPSFHLSA-N 314.349 -0.431 30 20 DBED N#Cc1cnc(NC[C@@H]2CN(C(=O)c3cnn[nH]3)CCO2)cn1 1066690038 CLANRLSOSPGIRL-SNVBAGLBSA-N 314.309 -0.581 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@@H](CNC(=O)c3cocn3)C2)nn1 1067654183 UGQLLJJPPIXAGY-JOYOIKCWSA-N 314.305 -0.437 30 20 DBED Cc1ncoc1C(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1 1069907667 IGDUWKFBJJRTHO-MNOVXSKESA-N 301.310 -0.247 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2cnn(C)n2)C1 1070052983 WSFQJDPSRPSJIP-NEPJUHHUSA-N 302.342 -0.752 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CCCN(C(=O)C2CS(=O)(=O)C2)C1 1070783524 NFWLKCDLXPFLML-CYBMUJFWSA-N 324.402 -0.448 30 20 DBED C#CCCCC(=O)N[C@@H]1CCCN(C(=O)CNC(=O)NC)C1 1070856290 PYTNXHJLEGDNFQ-GFCCVEGCSA-N 308.382 -0.174 30 20 DBED C=CCOCC(=O)N1C[C@@H](NC(=O)CNC(=O)CC)[C@H](C)C1 1071808574 IZGQJQJVQPRONY-VXGBXAGGSA-N 311.382 -0.322 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H](C)[C@H](NC(=O)c2cc[nH]c2)C1 1071941981 FFEHIXZPMUWTNR-WCQYABFASA-N 316.361 -0.269 30 20 DBED CC#CCCCC(=O)N1C[C@@H](NC(=O)Cn2ncnn2)[C@H](C)C1 1072561182 OLIDDQHJUWNBMS-CHWSQXEVSA-N 318.381 -0.170 30 20 DBED CC#CCN1CCO[C@@H]2CCN(C(=O)CN3CCCC3=O)C[C@H]21 1074161003 YDHHTNPRFQFDPK-HUUCEWRRSA-N 319.405 -0.066 30 20 DBED Cc1cc(C(=O)NCC2(O)CCN(C(=O)[C@@H](C)C#N)CC2)n[nH]1 1074705787 ZHYCZYJWAPWRCM-JTQLQIEISA-N 319.365 -0.039 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)c2nc(OC)cc(OC)n2)C1 1077234660 VMZRWMUIBRQWKX-NXEZZACHSA-N 308.338 -0.545 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H](C)CCNC(=O)[C@@H]1CCC(=O)N1 1077641398 NOJVOPPVFCRMSU-SRVKXCTJSA-N 311.382 -0.133 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)C1 1077708871 DJEOPPBZTMLIIN-GBJTYRQASA-N 302.378 -0.292 30 20 DBED C#CCOCCC(=O)NC[C@H]1CN(C(=O)c2ccc[nH]2)C[C@H]1O 1081484888 CXMCTTDKYFIXCI-GXTWGEPZSA-N 319.361 -0.396 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2cnnc(O)c2)C1 1081556070 JRUWAHRYDPDFRU-VXGBXAGGSA-N 320.349 -0.303 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@H](CNC(=O)Cc2cnoc2)C1 1081677145 MIFKMIZBANAXIU-OLZOCXBDSA-N 323.349 -0.645 30 20 DBED C#CCN1C[C@@H](NC(=O)C(C)(C)N2CCOCC2)[C@H](OC)C1 1082239008 UOCLJNWFRLAFDX-ZIAGYGMSSA-N 309.410 -0.454 30 20 DBED C#CCCN1C[C@@H](NC(=O)[C@H]2CCCC(=O)N2C)[C@H](OC)C1 1082350452 VIKWIZPXTHRAEY-MGPQQGTHSA-N 307.394 -0.164 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2cn([C@@H]3CCOC3)nc2C)C1 1083461376 ZDTRFOQJVBYJDB-YUELXQCFSA-N 318.377 -0.439 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)C(=O)N2CCC[C@@H](C)C2)C1 1083837518 GEQWEFCPLJUEKJ-MCIONIFRSA-N 309.410 -0.018 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCc3nn[nH]c3C2)C1 1083950060 XTENUGIBQAATGE-HONMWMINSA-N 305.382 -0.353 30 20 DBED C#CCCN1CC[C@@H]2CN(C(=O)CN3C(=O)CNC3=O)[C@@H]2C1 1084818266 SBMMEPKNDWNEQN-VXGBXAGGSA-N 304.350 -0.906 30 20 DBED C#CCN1C[C@H]2[C@@H]3CC[C@@H](CN3C(=O)Cn3cnnc3O)[C@H]2C1 1089794899 IWBYMAXWXVXRON-DGAVXFQQSA-N 315.377 -0.214 30 20 DBED N#CCN1C[C@@H](NC(=O)[C@@H]2CCNC2=O)CC2(CCOCC2)C1 1089947622 LPJNNKROVPDNLA-QWHCGFSZSA-N 320.393 -0.367 30 20 DBED C=CCN1C[C@@H](NC(=O)[C@@H]2CNC(=O)N2)CC2(CCOCC2)C1 1089952225 GQYMGCLZENHPJP-STQMWFEESA-N 322.409 -0.159 30 20 DBED CCCN(C)CC(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@H]1O 1090464838 RTRJDJUHRYDNQW-ZIAGYGMSSA-N 317.393 -0.039 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(c2ccnc(C)n2)C[C@H]1O 1090488956 UFZXDGJPFWKFOO-RAIGVLPGSA-N 304.350 -0.511 30 20 DBED C#CCN1CC[C@H](NC(=O)c2ccc(C(N)=O)s2)[C@H](O)C1 1090643388 FVUUSOAKJIJDEB-VHSXEESVSA-N 307.375 -0.355 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2nc3ncccn3n2)[C@@H](O)C1 1090658316 WAPHVIGQLYDYSO-RYUDHWBXSA-N 314.349 -0.687 30 20 DBED COCCOCC(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1C 1090687909 QBWHKIYABWUKMF-DGCLKSJQSA-N 319.365 -0.048 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)c2ccc(C(N)=O)cn2)[C@@H](O)C1 1090845342 YPDMQGYTGQEDTP-JSGCOSHPSA-N 318.377 -0.078 30 20 DBED CCNC(=O)CC(=O)N[C@H]1CCN(c2ccnc(C#N)n2)[C@@H]1C 1091965485 CSRHJJDJMMITSK-MNOVXSKESA-N 316.365 -0.042 30 20 DBED Cc1ccc(C#N)c(N2CC[C@@H](NC(=O)CC(N)=O)[C@H](O)C2)n1 1092134687 PEZPIBPMTRQBSH-VXGBXAGGSA-N 317.349 -0.807 30 20 DBED CCN1CCO[C@@H](C(=O)NCCNc2ccc(C#N)nn2)C1 1093654843 QTBWVCHJTJISSH-GFCCVEGCSA-N 304.354 -0.403 30 20 DBED COCC(=O)N[C@@H](C)C(=O)NCCNc1ncc(C#N)cc1F 1094185187 KBARTWULQIINSQ-VIFPVBQESA-N 323.328 -0.228 30 20 DBED CNC(=O)C1(C(=O)NCCCNc2cncc(C#N)n2)CC1 1094497142 SRSUCCNEGSTPJV-UHFFFAOYSA-N 302.338 -0.207 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)c3cnn(C)c3C)CC2=O)C1 1094704158 RSPLVXSFLKZZPS-LBPRGKRZSA-N 315.377 -0.623 30 20 DBED C[C@H](NC(N)=O)C(=O)NCCCN(C)c1ccc(C#N)nn1 1095534545 UMZJAFWITXANSQ-VIFPVBQESA-N 305.342 -0.652 30 20 DBED CS(=O)(=O)CC(=O)N[C@H]1CCN(c2nccnc2C#N)C1 1096342945 MCFOYQKNYBOLND-VIFPVBQESA-N 309.351 -0.912 30 20 DBED C[C@@H](CNC(=O)C[C@@H]1COC(=O)C1)N=c1cc[nH]c(C#N)n1 1097751989 ZVANWDWHTYYYNP-UWVGGRQHSA-N 303.322 -0.360 30 20 DBED COc1nn(C)cc1C(=O)NC[C@@H](C)N=c1cc[nH]c(C#N)n1 1098180074 QXVFLVOROGIXGE-SECBINFHSA-N 315.337 -0.257 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCN(CC(=C)Cl)C[C@@H]1O 1099790042 WMHHTCJRSCTINT-NEPJUHHUSA-N 313.785 -0.570 30 20 DBED C=CCCCC(=O)N[C@H]1CCN(CC(=O)NC(N)=O)C[C@@H]1O 1099973823 JQHAFLARNYIUGD-QWRGUYRKSA-N 312.370 -0.911 30 20 DBED COCC(=O)N[C@H](C)C(=O)NCCN(C)c1ccc(C#N)nc1 1100377919 ABRVIZJZFAPDLL-LLVKDONJSA-N 319.365 -0.343 30 20 DBED CCN(CCNC(=O)[C@H]1CCC(=O)N1)c1cnc(C#N)cn1 1100467473 YSOMUDHOPZCFGU-LLVKDONJSA-N 302.338 -0.431 30 20 DBED CN(CCNc1nccnc1C#N)C(=O)[C@H]1COCCN1C 1101564200 IIEROSPGCLQBJK-GFCCVEGCSA-N 304.354 -0.451 30 20 DBED O=C(C#CC1CC1)N[C@H]1CC2(CN(CCO)C2)n2ccnc21 1101628768 BUMWNEWHVPFESU-ZDUSSCGKSA-N 300.362 -0.139 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)[C@H](CC)OC)C1 1101798609 ZVXGVYDQYLKXFT-MCIONIFRSA-N 309.410 -0.155 30 20 DBED CC[C@H](CNC(=O)Cn1nccn1)Nc1nccnc1C#N 1103214184 KPVJXAPNJBFJDM-SNVBAGLBSA-N 300.326 -0.053 30 20 DBED CC(C)[C@@H](O)C(=O)NC[C@H]1CN(c2ccnc(C#N)n2)CCO1 1104305772 WZLPDCSBNQVFKI-SMDDNHRTSA-N 319.365 -0.313 30 20 DBED C#CCOCCC(=O)N1CC(n2cc(CNCCF)nn2)C1 1105240159 ARKQOIDUHXLVLI-UHFFFAOYSA-N 309.345 -0.240 30 20 DBED C#CCNCc1cn(C2CN(C(=O)c3csc(O)n3)C2)nn1 1105310154 QVKPAYSKCHKDSE-UHFFFAOYSA-N 318.362 -0.140 30 20 DBED C#CCNC1CCC2(CC1)CN(C(=O)CCNC(N)=O)CCO2 1105487275 ZFOQNYZKIMNFLC-UHFFFAOYSA-N 322.409 -0.192 30 20 DBED CC[C@H](C(=O)NC[C@H](O)CNc1nc(C)cc(C#N)n1)N(C)C 1105926342 SQJCJGGCMVLKRS-QWHCGFSZSA-N 320.397 -0.114 30 20 DBED COCCO[C@@H](C)C(=O)NC[C@H](O)CNc1ccc(C#N)nn1 1105962336 FBBFPLRVFXGPCK-CMPLNLGQSA-N 323.353 -0.711 30 20 DBED Cn1cc(C(=O)NC[C@H](O)CN=c2cc[nH]cc2C#N)nc1O 1106092497 GWVNKKJDZVMPNH-SNVBAGLBSA-N 316.321 -0.983 30 20 DBED C#CCNC[C@@H]1CN(C(=O)CCCS(N)(=O)=O)C[C@H]1C 1106612329 SZAUPWFLNSCLCA-VXGBXAGGSA-N 301.412 -0.628 30 20 DBED C[C@@H]1CN(C(=O)c2nccnc2C(N)=O)C[C@H]1CNCC#N 1106963152 DYZMDHUQSCAVPQ-NXEZZACHSA-N 302.338 -0.603 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@]1(C)CN(CC(=C)C)CCO1 1107884194 GESQAPCFEDUQIM-INIZCTEOSA-N 307.394 -0.091 30 20 DBED C[C@@]1(CNC(=O)C#CC2CC2)CN(Cc2nc(O)n[nH]2)CCO1 1107931748 ADSYQWKVLHVURV-OAHLLOKOSA-N 319.365 -0.369 30 20 DBED COc1cnc(C(=O)N[C@H](C)CN=c2cc[nH]c(C#N)n2)nc1 1108222126 MPXPCQGVRWGJHR-SECBINFHSA-N 313.321 -0.201 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)Cn2nc(C)ccc2=O)C1 1108355210 XEOOBXBIQWJVNK-INIZCTEOSA-N 318.377 -0.608 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)[C@@H](CC(C)C)C(N)=O)C1 1108445882 VGZXOZWGBCZROC-BBRMVZONSA-N 309.410 -0.026 30 20 DBED C=CCCC(=O)N[C@H]1CC(=O)N(C2CN([C@H](CC)C(N)=O)C2)C1 1108520731 ZJHDHXQWNKQSKS-WCQYABFASA-N 322.409 -0.382 30 20 DBED C[C@@H](CN(C)c1ccc(C#N)nn1)NC(=O)COCCN(C)C 1109038860 ATZVQUSXNCRHOV-LBPRGKRZSA-N 320.397 -0.133 30 20 DBED C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1nc(O)n[nH]1 1110389437 SMYUXNFHADWNAR-MXWKQRLJSA-N 307.354 -0.066 30 20 DBED Cc1nsc(N2CC[C@](O)(CNC(=O)CC(N)=O)C2)c1C#N 1111054123 VPHYUMPDJIDJFI-ZDUSSCGKSA-N 323.378 -0.744 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H]2CCC[C@]2(CNCCO)C1 1112313643 GYGLCMWSBFPGLV-BBRMVZONSA-N 307.394 -0.664 30 20 DBED N#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@@H]3CCCCO3)[C@H]2C1 1114140231 BMZQEMMSEAMOCY-KZVDOYCCSA-N 306.366 -0.758 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)Cc3cncs3)[C@H]2C1 1114432834 FDQAFLLJNSRSQK-RYUDHWBXSA-N 318.402 -0.519 30 20 DBED CC(C)[C@H](C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21)N(C)C 1114799334 VJBVHVAIOQHSIK-PAPYEOQZSA-N 321.425 -0.741 30 20 DBED C=C1CC(C)(C(=O)NC2[C@@H]3CN(CC(=O)NC(=O)NC)C[C@@H]23)C1 1114811994 AAJDWSCVUHSAEG-GHMZBOCLSA-N 320.393 -0.155 30 20 DBED COCC#CCN1C[C@@H]2C(NC(=O)C(C)(C)NC(C)=O)[C@H]2C1 1114981743 AODAFCIAIRTYGE-STQMWFEESA-N 307.394 -0.403 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)CNC(=O)C3CCC3)[C@@H]2C1 1115295841 GMRCXJZLYIGMJQ-ZIAGYGMSSA-N 319.405 -0.401 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)COCCC=C)[C@H]2C1 1115324279 NSINPLGHAIIZHH-VIKVFOODSA-N 305.378 -0.625 30 20 DBED CNCCCc1[nH]nc(NC(=O)[C@H]2CC[C@H]2C(N)=O)c1C#N 1118752657 RXESHFWDKLEKBH-BDAKNGLRSA-N 304.354 -0.117 30 20 DBED C=CCN(CCOC)c1nnnn1CCS(=O)(=O)CC 1120055709 LNVUBCQAXKCIKX-UHFFFAOYSA-N 303.388 -0.253 30 20 DBED C[C@H](CS(C)(=O)=O)N(C)C(=O)C(=O)N1CCC[C@@H](C#N)C1 1120336949 UQVNFKDKXJDWFN-MNOVXSKESA-N 315.395 -0.360 30 20 DBED CC(=O)CCCC(=O)NC[C@@H](CO)Nc1nccnc1C#N 1121050277 MIPVDWLZUKDKIX-NSHDSACASA-N 305.338 -0.003 30 20 DBED Cc1cnc(C(=O)NC[C@@H](CO)N=c2cc[nH]c(C#N)n2)cn1 1121151345 VXZMPFWNVVKIML-JTQLQIEISA-N 313.321 -0.929 30 20 DBED N#Cc1cncc(N[C@H](CO)CNC(=O)c2ccc(O)nc2)n1 1121550704 XFVJTGQWUQDKRR-NSHDSACASA-N 314.305 -0.348 30 20 DBED C[C@@]1(C(=O)NC[C@H](CO)Nc2cncc(C#N)n2)CCOC1 1121914806 RIZCLALPKNPRIG-BXUZGUMPSA-N 305.338 -0.336 30 20 DBED Cc1cnoc1C(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1 1122004739 ZAWLQUWOFOVXDE-SECBINFHSA-N 302.294 -0.731 30 20 DBED C[C@H]1C[C@H](N=c2cc[nH]c(C#N)n2)CN1C(=O)CCNC(N)=O 1123234408 ZOCXGOLSDACDKS-UWVGGRQHSA-N 317.353 -0.770 30 20 DBED C=CCOCC(=O)NCCNC[C@H](O)COCC(F)(F)F 1124767555 ILSYKLVBMYRTRU-JTQLQIEISA-N 314.304 -0.165 30 20 DBED N#Cc1cnc(N2CC=C(CNC(=O)CC(N)=O)CC2)cn1 1127632964 MBCFFTFYYVYQJD-UHFFFAOYSA-N 300.322 -0.524 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cncc2nc[nH]c12 1127801201 HOEFQFOHLVCJCN-UHFFFAOYSA-N 300.322 -0.973 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCNCC(=O)NCC1CC1 1129775757 TUHILGYWNGJTIR-AWEZNQCLSA-N 306.410 -0.684 30 20 DBED C#CCOCCC(=O)NCc1c[nH]nc1[C@H]1CCN(CCO)C1 1130389370 PRYKQQKYJJKHTB-ZDUSSCGKSA-N 320.393 -0.153 30 20 DBED C=CCCCN1CCOC[C@H]1c1n[nH]c(CNC(=O)C(N)=O)n1 1130859787 QCAYCQARODPTIR-JTQLQIEISA-N 322.369 -0.754 30 20 DBED C#CCNC(=O)CN1C[C@H]2C[C@@H]3CN(C(=O)CCC)C[C@@]3(C1)O2 1131168194 VZFPSEOFYPQDOB-CKEIUWERSA-N 319.405 -0.162 30 20 DBED C=C[C@](C)(O)CC(=O)N1C[C@@H]2C[C@@H]3CN(CCO)C[C@]2(C1)O3 1131221110 ZEZSSXWWCVMOMV-LQKXBSAESA-N 310.394 -0.393 30 20 DBED CCCC(=O)NCC(=O)N1CCC(=O)NCCN(CC#N)CC1 1131331199 ASMORNHZHQDIDM-UHFFFAOYSA-N 323.397 -0.923 30 20 DBED C#CCNC(=O)CN1C[C@H](NC(=O)[C@@H]2[C@H]3COC[C@H]32)CC[C@@H]1C 1132228986 YXYTZZUVSATWLG-OJKRMQCYSA-N 319.405 -0.403 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1=O 1133936539 RWKSFFDIWVTNJR-AGIUHOORSA-N 322.409 -0.619 30 20 DBED C=CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)CNC(=O)NC 1134525000 URYVSCMTKFDJAQ-WDEREUQCSA-N 313.402 -0.910 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1csc2cncn12 1134630539 FQAFECNOLPZTJH-JTQLQIEISA-N 319.390 -0.147 30 20 DBED N#CCNC(=O)CN1CCCO[C@@H](CNC(=O)C(F)F)C1 1148986342 NHIPPMAJTASCOC-VIFPVBQESA-N 304.297 -0.902 30 20 DBED COCC#CCN1CCCO[C@H](CNC(=O)[C@@H]2CCCN2C)C1 1149400276 VOJUKBMLSJRISW-CVEARBPZSA-N 323.437 -0.063 30 20 DBED C#CCC1(C(=O)NC[C@H]2CN(CC(N)=O)CCCO2)CCC1 1149841534 FYKBOHFYHDRCDE-ZDUSSCGKSA-N 307.394 -0.128 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1cn2ccccc2n1 1149892437 KRFMHDGIAHFDIH-UHFFFAOYSA-N 300.322 -0.707 30 20 DBED N#CCN1CCCO[C@H](CNC(=O)COC[C@@H]2CCCO2)C1 1150832670 UNTYMWHCTHVNPU-UONOGXRCSA-N 311.382 -0.087 30 20 DBED CC[C@@H]1OCCC[C@H]1C(=O)NCCCNCC(=O)NCC#N 1159621880 VVQBEIGRYVUKRE-OLZOCXBDSA-N 310.398 -0.073 30 20 DBED COCC1(CNC(=O)CN2CCOCC2)CCN(CC#N)CC1 1162224946 WOOSOTSBZMURSF-UHFFFAOYSA-N 324.425 -0.313 30 20 DBED N#CCNC(=O)CNCCCNC(=O)[C@@H]1C[C@H]1C1CCOCC1 1162377840 GEYSGBHOERXMHM-UONOGXRCSA-N 322.409 -0.215 30 20 DBED COCC#CCNCC1(CCNC(=O)[C@@H]2CN(C)CCO2)CC1 1163941106 YANLGMSBJRUQKU-HNNXBMFYSA-N 323.437 -0.157 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@H](C)[C@H]1CCC(=O)N1 1167077035 FXIZWHABDJOFNU-VXGBXAGGSA-N 310.398 -0.701 30 20 DBED C#CCCNCCCC[C@H](C)NC(=O)C[C@@H]1NC(=O)NC1=O 1171300104 OKTCZUIHBLHJRN-RYUDHWBXSA-N 308.382 -0.128 30 20 DBED C=CCNC(=O)CNCCCNC(=O)c1cnn(CCOC)c1 1174836147 PWGIQJOXTGBZCT-UHFFFAOYSA-N 323.397 -0.459 30 20 DBED C#CCNC(=O)CN1CCO[C@H]2CCN(C(=O)CCOC)C[C@@H]21 1176876291 MOGLOIZDDIKLJD-KBPBESRZSA-N 323.393 -0.926 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@@H](C)NC(=O)C1CCC1 1177486646 BFIAMOZXOWBRFW-GFCCVEGCSA-N 322.409 -0.864 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(CC)C2)C1 1182983207 WQXKZHSKGPEACR-CHWSQXEVSA-N 322.409 -0.653 30 20 DBED C=CCNC[C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C[C@@H]1C 1184424771 PQMGGABQLUWSLO-RYUDHWBXSA-N 320.397 -0.363 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3c[nH]nc3C)[C@@H]2C1 1188731338 LFAMJYUQYNCTLD-GXTWGEPZSA-N 315.377 -0.386 30 20 DBED CC(C)C#CC(=O)N1CC[C@@H](N(C)[C@H]2CCC(=O)NC2=O)C1 1190054845 UGYONGYLQGUFFF-OLZOCXBDSA-N 305.378 -0.016 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)[C@H]2OCCO[C@H]2C)C1 1190734473 PQDBIZLXIDISBF-YDHLFZDLSA-N 323.393 -0.928 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CN(Cc2cn(C(C)(C)C)nn2)C[C@H]1O 1191872776 OXGLMMDYRXZNQF-RAIGVLPGSA-N 320.397 -0.146 30 20 DBED CN(CC(=O)NCC#N)[C@@H]1CCN(C(=O)Cc2cnoc2)C1 1191922183 HUSWYQWZDOTBTH-GFCCVEGCSA-N 305.338 -0.610 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)COCc2ccnc(O)c2)C1 1194109837 OMVQOAWYIDGOKY-CHWSQXEVSA-N 307.350 -0.349 30 20 DBED CNC(=O)NC(=O)[C@H](C)N1CCCN(C(=O)[C@@H](C)C#N)CC1 1195322353 YKTMDYBJHROCTA-QWRGUYRKSA-N 309.370 -0.476 30 20 DBED C=C(C)CCN1CCCN(C(=O)CNC(=O)CNC(C)=O)CC1 1196325029 HQVWXQWFBFOZEL-UHFFFAOYSA-N 324.425 -0.261 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)CCc2ccccc2C(N)=O)C1 1197799224 HHOBELOWFRKISQ-ZIAGYGMSSA-N 316.361 -0.597 30 20 DBED C#CCCNC[C@H]1CN(C(=O)c2c[nH]c(=O)cn2)CCCO1 1201261300 PCYXXSYFMZSINC-LBPRGKRZSA-N 304.350 -0.386 30 20 DBED C#CCN[C@H]1C[C@H](NC(=O)CN(C)C(=O)COC)C12CCC2 1203007238 WTRJYJKMFKQYRX-STQMWFEESA-N 307.394 -0.259 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)c2ccnn2C)C1 1207591272 FLFKUARASUMDFB-LBPRGKRZSA-N 303.366 -0.636 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)c2cn(C)nc2C)C1 1207698815 YRTFFBVVYXLLJZ-CYBMUJFWSA-N 317.393 -0.328 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)C2CCN(C)CC2)C1 1209408706 WGOMRDCLWFWKGR-HNNXBMFYSA-N 320.437 -0.342 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)Cc2nc[nH]n2)[C@H](C)C1 1210186215 PTYAPMKOCNKTTM-GHMZBOCLSA-N 306.370 -0.914 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@H](C)NC(=O)c2ccoc2)[C@H](OC)C1 1212318841 NLACYNIFCFEAGX-IACUBPJLSA-N 319.361 -0.154 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)c2csnn2)C[C@H]1C 1215254806 JJWYXIJINRUUPQ-NXEZZACHSA-N 309.395 -0.110 30 20 DBED C#CCOCCC(=O)N1CCO[C@@H]2CN(C[C@H](C)OC)C[C@@H]21 1217877569 ZVXHQZSUJIMOMR-SOUVJXGZSA-N 310.394 -0.027 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(CCNC(=O)C2CC2)C[C@@H]1O 1219587716 RKTMTXCRGNZZCK-KGLIPLIRSA-N 307.394 -0.667 30 20 DBED CC[C@H](C)NC(=O)CN1C[C@H](O)[C@H](NC(=O)C#CC2CC2)C1 1219591789 UUVIZQKWDIPXHR-YUTCNCBUSA-N 307.394 -0.524 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN([C@@H](C)c2n[nH]c(C)n2)C[C@@H]1O 1219609170 FLMJRZBGTMDDDX-UHTWSYAYSA-N 321.381 -0.625 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2ccc(F)cn2)C[C@@H]1O 1219613851 VBLJTZQCZRQJAG-CABCVRRESA-N 321.352 -0.078 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1CN(CCS(C)(=O)=O)C[C@@H]1O 1220141053 HMCSRERXCAKQJT-MNOVXSKESA-N 304.412 -0.596 30 20 DBED CC#CCN[C@@H]1CCCC[C@H]1NC(=O)CN1CCN(C)C(=O)C1 1227185278 ZGONEBQIHOCYGV-HUUCEWRRSA-N 320.437 -0.199 30 20 DBED CNC(=O)NC(=O)[C@H](C)N1CCC(NC(=O)C#CC2CC2)CC1 1227271913 BPYILBVRNGUEAN-NSHDSACASA-N 320.393 -0.176 30 20 DBED C=CCNC(=O)CN1CC[C@H]1CN(C)C(=O)c1cnns1 1230856111 VGWFVDXHFJKFKR-JTQLQIEISA-N 309.395 -0.013 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)CCOCC#C 1234246480 ORKVDKPRFVRMCN-CQSZACIVSA-N 305.378 -0.692 30 20 DBED CC(=O)NC[C@@H]1CN(Cn2nc(CC#N)n(C)c2=S)CCO1 1256376423 AVWCFSQSJWFXDX-LLVKDONJSA-N 324.410 -0.188 30 20 DBED CC1(C)[C@H](NC(=O)C(=O)N2CCO[C@H](C#N)C2)[C@@H]2CCO[C@H]21 1261087387 OEMQEYZGFKGCNS-WRWGMCAJSA-N 307.350 -0.333 30 20 DBED COCCO[C@@H]1CCN(C(=O)C(=O)Nc2cnn(CC#N)c2)C1 1320665603 FPHVAZNLLJPEEZ-GFCCVEGCSA-N 321.337 -0.391 30 20 DBED CN(CC(N)=O)C(=O)c1cccc(NCC(=O)NCCC#N)c1 1321840634 KQMGJRBROFUKBH-UHFFFAOYSA-N 317.349 -0.314 30 20 DBED C#C[C@@H](NC(=O)C(=O)NCC(=O)N1CCCC1)[C@@H]1CCCO1 1323780662 ANHBAOJQYUKZAX-NEPJUHHUSA-N 307.350 -0.978 30 20 DBED CC(=NOCC(=O)N[C@@H]1CCS(=O)(=O)C1)c1cnn(C)c1 1325422532 IFIBRTLWCCFECL-LLVKDONJSA-N 314.367 -0.536 30 20 DBED C=CCn1cc(CNC(=O)C(=O)NCCC(=O)NC(C)C)nn1 1326225349 CMJBBDSFORQUTQ-UHFFFAOYSA-N 322.369 -0.889 30 20 DBED Cc1ncc(CNC(=O)C(=O)N2CC[C@](O)(CC#N)C2)s1 1326871070 YWQKRCUQKLILJZ-CYBMUJFWSA-N 308.363 -0.055 30 20 DBED C=C[C@H](CO)NC(=O)C(=O)Nc1cnn(C[C@@H]2CCCO2)c1 1327472911 CCODYAGTZJRCIE-PWSUYJOCSA-N 308.338 -0.336 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)N2CCC[C@@H](CCO)C2)C1 1328442391 CSRQMTUJZGOGDG-WFASDCNBSA-N 309.366 -0.516 30 20 DBED C#CC1CCN(C(=O)C(=O)NC2CCN(C(C)=O)CC2)CC1 1329314369 JEXDQQLRCWPQJY-UHFFFAOYSA-N 305.378 -0.015 30 20 DBED C=CCN(C(=O)C(=O)NCC1CN(S(C)(=O)=O)C1)C(C)C 1329660376 KYAWMPPRDRDHMY-UHFFFAOYSA-N 317.411 -0.583 30 20 DBED Cc1cc(NC(=O)C(=O)N(C)CCOCCO)ncc1C#N 1329897503 GBGRBYWGHVJCOS-UHFFFAOYSA-N 306.322 -0.333 30 20 DBED C=CCn1c(C[C@H](O)CC#N)nnc1N1CCN(C)C(=O)[C@H]1C 1339593970 IDGYOIZWDGELDY-VXGBXAGGSA-N 318.381 -0.052 30 20 DBED COC[C@](C)(C#N)NC(=O)Cn1nc2n(c1=O)CCCCC2 1340750170 DHBSOLBNPOGLHY-AWEZNQCLSA-N 307.354 -0.184 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)NCc1nnnn1C1CC1 1342787909 ZZQRQMZIGVPAFI-UHFFFAOYSA-N 300.322 -0.891 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CCOC[C@H]1C[C@@H](C)O 1344782917 FGZMDASDIVRHLG-IJLUTSLNSA-N 300.355 -0.698 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N[C@H]1CCO[C@@]2(CCOC2)C1 1346866655 OJFVHZVQYQIYHZ-YOEHRIQHSA-N 318.373 -0.074 30 20 DBED COc1ccc(S(=O)(=O)CCC(=O)NCC#CCO)cc1 1349797732 SKEATPSADVETSR-UHFFFAOYSA-N 311.359 -0.029 30 20 DBED C[C@H](NC(=O)C(=O)N1CCC[C@@H](CC#N)C1)[C@@H]1CN(C)CCO1 1350823283 RGYSSEIVESYJOL-IHRRRGAJSA-N 322.409 -0.026 30 20 DBED C[C@@H]1[C@H](CO)CCCN1C(=O)Cn1cc(C#N)c(O)nc1=O 1362728768 LYAZKDHQLCQDML-ZJUUUORDSA-N 306.322 -0.560 30 20 DBED N#Cc1ccc(CNC(=O)CN2CC[C@H](O)[C@H](CO)C2)cc1 1364730987 QYRPVBDRSQRZKO-GJZGRUSLSA-N 303.362 -0.150 30 20 DBED COCC[C@H](NS(=O)(=O)c1ccccc1CC#N)C(N)=O 1365684209 QDDQJNXWAMJVAC-NSHDSACASA-N 311.363 -0.079 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](NC(=O)CCN2CCOCC2)C1 1372037256 OWPPAYCKIUETHX-QWHCGFSZSA-N 308.382 -0.415 30 20 DBED Cc1nn[nH]c1C(=O)NC[C@H](O)CNCc1ccccc1C#N 1374640846 XLNFZLODLDQOSO-CYBMUJFWSA-N 314.349 -0.135 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@@H]1CCCN(C(=O)Cc2nc[nH]n2)C1 1387356459 KGIYYDDBVMSNCG-GHMZBOCLSA-N 304.354 -0.044 30 20 DBED CCN(CCNC(=O)c1c[nH]c(C(N)=O)c1)C(=O)[C@H](C)C#N 1388272964 CJMYECMZGMTHOK-SECBINFHSA-N 305.338 -0.148 30 20 DBED C[C@@H](CNCc1ccc(C#N)cc1F)NC(=O)Cn1ncnn1 1392562542 XZYRFPJDQMEKEE-JTQLQIEISA-N 317.328 -0.022 30 20 DBED COCCN(CCNC(=O)[C@@H](C)C#N)C(=O)[C@H](C)n1cncn1 1396173472 OBKGLAGJMKFWSW-RYUDHWBXSA-N 322.369 -0.410 30 20 DBED C[C@@H](CNC(=O)CCn1cncn1)NC(=O)c1c[nH]c(C#N)c1 1400164440 NLEUMDHEOIMLEJ-JTQLQIEISA-N 315.337 -0.197 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CCN(C(=O)c2cn(C)c(=O)n2C)C1 1408391694 OCKBTYOLUOBGHE-GHMZBOCLSA-N 319.365 -0.538 30 20 DBED CCN(CCNC(=O)[C@@H]1COC(=O)N1)C(=O)c1ccc(C#N)[nH]1 1408737979 ULIDQQZQGHKJGU-NSHDSACASA-N 319.321 -0.427 30 20 DBED C[C@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)c1cn(C)nn1 1410195869 DZYPZGRHZBTQMM-MRVPVSSYSA-N 301.310 -0.437 30 20 DBED N#Cc1cccc([C@H]2CN(C(=O)[C@@H](CO)NC(N)=O)CCO2)c1 1412008352 QAHBYRFYYPLGCI-CHWSQXEVSA-N 318.333 -0.513 30 20 DBED O=C1CC(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 1417877072 RHDVFKJSKDJRLB-UHFFFAOYSA-N 307.331 -0.427 30 20 DBED C[C@@H](C#N)C(=O)NCCN1CCN(Cc2cn(C)nn2)CC1 1419127129 IEZCZWJLAURBAS-LBPRGKRZSA-N 305.386 -0.791 30 20 DBED CCOC(=O)CN(CC(C)C)c1[nH]c(=O)n(C)c(=O)c1C#N 1421091935 YCIQKUXJYPGMOE-UHFFFAOYSA-N 308.338 -0.029 30 20 DBED Cc1cn(C)nc1C(=O)N(C)C[C@@H](O)CNC(=O)[C@H](C)C#N 1428195820 WROQLYRTVIDWTC-KOLCDFICSA-N 307.354 -0.563 30 20 DBED N#Cc1cncc(NC[C@@H]2CCN(C(=O)Cn3cncn3)C2)n1 1434842834 KQGFJHOGTQLZRM-NSHDSACASA-N 312.337 -0.100 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)CCc2ccn(C)n2)C1 1452747757 UDTQBJZXUFESPD-UHTWSYAYSA-N 319.365 -0.800 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)C[C@@H]2CCC(=O)NC2)CC1 1453425251 QNQMZJMYSBGLMO-MNOVXSKESA-N 306.366 -0.173 30 20 DBED N#Cc1cn(CC(=O)NC[C@H](CO)CC2CC2)c(=O)nc1O 1453445507 VWVPTVRONUOWFU-SNVBAGLBSA-N 306.322 -0.655 30 20 DBED C=CCn1c([C@@H](O)COC)nnc1N(C)C[C@@H](C)C(=O)NC 1520650015 UYXNPEYFTFHCDG-MNOVXSKESA-N 311.386 -0.038 30 20 DBED COCCOC1CN(c2cnc(C#N)c(-c3nn[nH]n3)n2)C1 1579816850 IAMBUPBRUFMKLA-UHFFFAOYSA-N 302.298 -0.620 30 20 DBED C#C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@](COC)(C(=O)O)C2)C1 1588385276 BZDGDYGAJSWRNH-WBMJQRKESA-N 322.361 -0.192 30 20 DBED C#CC[C@@H](NS(=O)(=O)C[C@@]12CCCN(CC1)C2)C(=O)O 1588423446 HOJJCHLUMZLNDJ-YPMHNXCESA-N 300.380 -0.132 30 20 DBED C[C@@H](C#N)C(=O)N(C)C[C@@H](O)CN(C)c1ccnc(C(=O)O)n1 1589323688 KHKFZEFBSFGMRD-UWVGGRQHSA-N 321.337 -0.410 30 20 DBED Cn1c(C(=O)NCCn2cnc(C#N)n2)ccc1-c1nn[nH]n1 1592548871 AKEWZCYTGKJDDC-UHFFFAOYSA-N 312.297 -0.902 30 20 DBED C=CCOC[C@@H](NC(=O)[C@@H]1CCc2nnnn2CC1)C(=O)O 1602910361 XDQQWSJLMOPCPN-NXEZZACHSA-N 309.326 -0.602 30 20 DBED CCc1nnc(Cn2c(N)nc(C#N)c2-c2nn[nH]n2)s1 1604581206 KJVWSIGLEZVQPL-UHFFFAOYSA-N 302.327 -0.021 30 20 DBED N#Cc1ncn(CC(=O)N[C@@H]2CS(=O)(=O)c3ccccc32)n1 1649727603 POGQPZOAPHPFPO-SNVBAGLBSA-N 317.330 -0.205 30 20 DBED C#CCN1CCN(CCCNC(=O)[C@H]2C[C@H]2C(=O)OC)CC1 1752339017 FOFQOLRGCBFCFP-UONOGXRCSA-N 307.394 -0.447 30 20 DBED CN1C[C@H](C(=O)NCc2ccc(CCNCC#N)cc2)NC1=O 1752985304 GMEHIABAMSADAG-CQSZACIVSA-N 315.377 -0.018 30 20 DBED C#CCCN(C)[C@H]1CCCN(C(=O)CS(=O)(=O)N(C)C)C1 1752996807 IYCIHKWQGDQRBY-ZDUSSCGKSA-N 315.439 -0.176 30 20 DBED COCC#CCN1CC[C@H](CNC(=O)CS(C)(=O)=O)C1 1753122432 KBZSZVRVLKTPFP-GFCCVEGCSA-N 302.396 -0.881 30 20 DBED C=CCN1CC(CNC(=O)CS(=O)(=O)N(CC)CC)C1 1753411241 HFTJKLBGDXSALC-UHFFFAOYSA-N 303.428 -0.108 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@@H]1CNC(=O)c1cccnn1 1754498594 XQNYWNIVIAFRMX-VXGBXAGGSA-N 301.350 -0.581 30 20 DBED C#CCN1CC(O)(CNC(=O)c2ncn(-c3ccccc3)n2)C1 1754769064 KUYFJLZBONXEGJ-UHFFFAOYSA-N 311.345 -0.323 30 20 DBED C=CCNC(=O)CN1CCOC[C@@H]1CNC(=O)CCCF 1754969896 JNAXRJJOTWQGPX-LBPRGKRZSA-N 301.362 -0.145 30 20 DBED C=C(C)CNC[C@H]1CN(C(=O)CN2CCN(C)C(=O)C2)CCO1 1755004326 FZYPTUNVWZMFPF-AWEZNQCLSA-N 324.425 -0.847 30 20 DBED CC(C)C[C@H](C(N)=O)C(=O)N1CCC[C@](CO)(NCC#N)C1 1755092545 MZJUZTPPPRGCDD-DOMZBBRYSA-N 310.398 -0.399 30 20 DBED C#CCNC(=O)CNCC1(O)CCN(C(=O)[C@H](F)CC)CC1 1755151531 IKICUJSRYPOIEY-GFCCVEGCSA-N 313.373 -0.573 30 20 DBED COCC#CCN1CCC(CO)(NC(=O)c2cnccn2)CC1 1755176276 AAHZAFPPTSXTFA-UHFFFAOYSA-N 318.377 -0.317 30 20 DBED C[C@H]1[C@H](NC(=O)CN(C)S(C)(=O)=O)CCCN1CC#N 1755719022 SYJGRNPMRCTXFH-WDEREUQCSA-N 302.400 -0.630 30 20 DBED Cc1ncc2n1CC[C@H](C(=O)N(C)C[C@@H](O)CNCC#N)C2 1755788238 OVWODXREJFNYHK-JSGCOSHPSA-N 305.382 -0.314 30 20 DBED CC(C)N(CCN(C)CC#N)C(=O)CCCS(N)(=O)=O 1755812314 MPBDLLUWMZOZSY-UHFFFAOYSA-N 304.416 -0.253 30 20 DBED C=CCCC(=O)N1CC(CCO)(NC(=O)C(C)(C)C(N)=O)C1 1756084365 UOTCJQLMMOVSSY-UHFFFAOYSA-N 311.382 -0.456 30 20 DBED COc1ccc(C(=O)N[C@H](CO)CNC(=O)C#CC2CC2)cn1 1756520218 WVZSEQLJGTXIMQ-ZDUSSCGKSA-N 317.345 -0.290 30 20 DBED C=CC(C)(C)CC(=O)NC[C@H](CO)NC(=O)c1cnnc(O)c1 1756524593 ZTGXVSFJHPHAGH-LLVKDONJSA-N 322.365 -0.009 30 20 DBED C=CCOCC(=O)NC[C@H]1CC[C@H](NC(=O)C2(C(N)=O)CC2)C1 1756646585 IMVAJXMSCWYAAF-RYUDHWBXSA-N 323.393 -0.144 30 20 DBED C=CCC(=O)N1CCO[C@]2(CCN(C(=O)COCCO)C2)C1 1781321540 UUUPDQLDHHGFRU-HNNXBMFYSA-N 312.366 -0.599 30 20 DBED N#CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc[nH]n3)[C@H]2C1 1787219987 QQBNJCNFVILHCI-DCAQKATOSA-N 318.337 -0.688 30 20 DBED C/C=C/C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791077806 WUESOODBXDHGEI-SJGBDUFXSA-N 320.345 -0.370 30 20 DBED C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C[C@H](NC)C(=O)O)C2 1801597646 PPOPTLJZIKEJGV-USZNOCQGSA-N 307.350 -0.680 30 20 DBED C#CC(=O)N1CC2(CCCN2C(=O)CNC(=S)NCC)C1 1845760452 XPKSUAWWIWREHW-UHFFFAOYSA-N 308.407 -0.693 30 20 DBED C=CCOCCCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](N)CN 1847809491 ZFYICLMIGPQSRN-IHRRRGAJSA-N 324.425 -0.543 30 20 DBED C=CCNC(=S)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 8150307 PMJMHIXURAOCOJ-LLVKDONJSA-N 303.453 -0.148 30 20 DBED CN(C)S(=O)(=O)c1ccc2c(c1)N(CC(=O)NCC#N)CC2 115569164 ULDTWUNAOOVYTL-UHFFFAOYSA-N 322.390 -0.061 30 20 DBED C=CCN(CC(=O)NCCCOC)[C@H]1CCS(=O)(=O)C1 121164181 ZUIIFFFISHFEAO-LBPRGKRZSA-N 304.412 -0.186 30 20 DBED Cn1c(N2CC[C@@H](CN3CCCC3)C2)c(C#N)c(=O)n(C)c1=O 131671266 PBOZIXOMPPRTCC-LBPRGKRZSA-N 317.393 -0.122 30 20 DBED C[C@H](CNS(=O)(=O)N(C)CCC#N)CN1CCOCC1 160389180 HKQRIPYQKNJZFC-GFCCVEGCSA-N 304.416 -0.365 30 20 DBED N#Cc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)O)s1 230324000 WSEJZGVNHDSLTG-XPUUQOCRSA-N 302.333 -0.172 30 20 DBED CN(C)S(=O)(=O)CCNS(=O)(=O)c1ccc(C#N)nc1 231009078 NDQLUVKRLPZKRY-UHFFFAOYSA-N 318.380 -0.877 30 20 DBED C/N=C(/NC[C@@H]1CN2CCN1CC2)N[C@H]1CCN(C2CC2)C1 261976572 NQRBXMYBXFJOLH-DZGCQCFKSA-N 306.458 -0.612 30 20 DBED CC(C)[C@@H](C#N)NC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 266295660 BKUBZTUVRWVWFJ-NPNZPCOPSA-N 305.334 -0.187 30 20 DBED COC(=O)c1coc(S(=O)(=O)N2CCO[C@H](C#N)C2)c1 270001670 JLHPEMGLBWDPMK-SECBINFHSA-N 300.292 -0.021 30 20 DBED C=CCNC(=O)CNC(=O)[C@H](C)N1C(=O)[C@H]2CCCC[C@H]2C1=O 271990727 QHPSJFJDTDIHPZ-SDDRHHMPSA-N 321.377 -0.032 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCCc3n[nH]cc32)C1=O 279911261 AKGGPVUOXOLAJF-UHFFFAOYSA-N 317.305 -0.334 30 20 DBED C=CCNC(=O)CNC(=O)N1C[C@H](CC)S(=O)(=O)[C@H](C)C1 286694718 IPTJSNVEBGOIGX-MNOVXSKESA-N 317.411 -0.104 30 20 DBED CCOCCN1CCN(C(=O)NCCn2cnc(C#N)n2)CC1 288017872 YLJIUURYPCNMLV-UHFFFAOYSA-N 321.385 -0.487 30 20 DBED C=C[C@@H](CO)NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1 290128042 HDMJOQXTGUVDMQ-VIFPVBQESA-N 305.377 -0.085 30 20 DBED CN1C[C@H](/N=C(/O)N2CCOC[C@@H]2c2ncnn2C)CC1=O 328902113 ZZLXNRSVUDWPNW-NXEZZACHSA-N 308.342 -0.667 30 20 DBED Cn1nnc2cc(/C(O)=N/CCN3CCCS3(=O)=O)cnc21 329346261 RIDDMDXWYNCUSV-UHFFFAOYSA-N 324.366 -0.297 30 20 DBED CS(=O)(=O)c1ccc(N=C(O)N2C[C@@H](O)C[C@H]2CO)cn1 330651469 IEQDKYHUOSBNPB-UWVGGRQHSA-N 315.351 -0.542 30 20 DBED CN(CCC#N)S(=O)(=O)N1CCN(Cc2ncc[nH]2)CC1 330769003 SZPPOMXKXLLRTJ-UHFFFAOYSA-N 312.399 -0.382 30 20 DBED Cn1cc(C(=O)C(=O)N(CCC#N)CCN2CCOCC2)cn1 338930751 CORQBAVAIKEQBI-UHFFFAOYSA-N 319.365 -0.323 30 20 DBED CN1CCC(=O)Nc2cc(C(=O)NCC(=O)NCC#N)ccc21 344144353 BPFVHKVCMIPZFX-UHFFFAOYSA-N 315.333 -0.165 30 20 DBED N#CCNC(=O)CNC(=O)CN1C(=O)COc2ccccc21 344150788 JLEZYNVZCGGUJW-UHFFFAOYSA-N 302.290 -0.832 30 20 DBED COC(=O)CN(CC#N)C(=O)Cn1nnc2ccccc2c1=O 348788357 ZRPSEFIIAOPUFN-UHFFFAOYSA-N 315.289 -0.683 30 20 DBED Cc1nn(C)c2ncc(S(=O)(=O)NCC(=O)NCC#N)cc12 352538594 MKTJLBLQGXNUEZ-UHFFFAOYSA-N 322.350 -0.805 30 20 DBED C=CCOC[C@@H](NS(=O)(=O)C[C@@H]1CCCO1)C(=O)OC 360613429 ONVVRWZDXUGAOB-WDEREUQCSA-N 307.368 -0.171 30 20 DBED C=CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCC(=O)OC 416659449 MAWPKRZWMPTTDN-SNVBAGLBSA-N 304.368 -0.354 30 20 DBED CN1CCC[C@H]1CN(C)S(=O)(=O)N1CCO[C@@H](C#N)C1 420739139 OSVWSBAQLXOEOX-RYUDHWBXSA-N 302.400 -0.518 30 20 DBED N#Cc1ncccc1S(=O)(=O)NCC1(C(N)=O)CCOCC1 428241133 KELXWCGHTUMDSN-UHFFFAOYSA-N 324.362 -0.486 30 20 DBED N#Cc1ccc(F)c(CS(=O)(=O)N2C[C@H](O)[C@@H](O)C2)c1 434764002 GXTMRKAASINLER-RYUDHWBXSA-N 300.311 -0.435 30 20 DBED C#CCNC(=O)CN1CCN([C@@H](C)C(=O)N2CCCCC2)CC1 491165382 KRHDXMRYAYOPTM-HNNXBMFYSA-N 320.437 -0.246 30 20 DBED C[C@@H]1COCCN1CCNC(=O)NCCn1cnc(C#N)n1 561640089 MZMQUAIUSQTSIZ-LLVKDONJSA-N 307.358 -0.830 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@@H](CCC(=O)O)C(=O)O 573095969 NWMBYGLDQFXABM-IUCAKERBSA-N 321.355 -0.380 30 20 DBED C=CCOC[C@H](NC(=O)c1ccnc(N)c1[N+](=O)[O-])C(=O)OC 573740534 HJTUAQYGRROFQX-VIFPVBQESA-N 324.293 0.046 30 20 DBED Cc1cc(NC(=O)C(=O)N(C[C@@H](C)O)[C@@H](C)CO)ncc1C#N 575070607 CKFFWNOJQYOBDV-WDEREUQCSA-N 320.349 -0.210 30 20 DBED COC(=O)c1cncc(S(=O)(=O)N2CCO[C@@H](C#N)C2)c1 582464111 YRSOIIQPRRUVTO-JTQLQIEISA-N 311.319 -0.219 30 20 DBED Cn1nnc2c1CC[C@@H](NS(=O)(=O)c1cncc(C#N)c1)C2 594478831 LDLJOLIKQZWOIM-SNVBAGLBSA-N 318.362 -0.082 30 20 DBED CN1CCN(CCS(=O)(=O)c2ccc(C#N)cn2)CCC1=O 595772831 ODXIGJUJMXMMIF-UHFFFAOYSA-N 322.390 -0.109 30 20 DBED COCCOCCN(CCO)S(=O)(=O)N(C)C[C@H](C)C#N 599394083 QWIAUBUGMHMUOQ-GFCCVEGCSA-N 323.415 -0.720 30 20 DBED COc1cc(NC(=O)C(=O)N2CCNC(=O)C2)c(F)cc1C#N 599932916 FASZQUFJBPNHJC-UHFFFAOYSA-N 320.280 -0.397 30 20 DBED C[C@@H](O)[C@H]1CCCN1C(=O)C(=O)N1CCN(CCC#N)CC1 601508826 VELSBGZRVCYDJP-CHWSQXEVSA-N 308.382 -0.584 30 20 DBED C[C@@H](C(=O)N(C)CCC#N)n1cc(CCN2CCNCC2)nn1 603189367 QMZCZLOIOJUAKH-ZDUSSCGKSA-N 319.413 -0.341 30 20 DBED COCCN(CCC#N)C(=O)CN(C)[C@@H]1CCS(=O)(=O)C1 610492200 XTCFLTNWICKRIH-GFCCVEGCSA-N 317.411 -0.506 30 20 DBED CC1CC(C#N)(C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)C1 610712100 QWMFZZUWJBNTMN-UHFFFAOYSA-N 314.411 -0.123 30 20 DBED CC#CC[C@H](CO)NC(=O)c1ccc(NS(C)(=O)=O)nc1 627976901 BXCAEFFCGOJZKI-LLVKDONJSA-N 311.363 -0.043 30 20 DBED CC#CC[C@H](CO)NC(=O)NCCS(=O)(=O)NC(C)C 645226849 PYMCRUBRUHXPTL-LLVKDONJSA-N 305.400 -0.612 30 20 DBED O=C(NCC#CCO)[C@H]1CCC[C@@H](C(=O)NCC#CCO)C1 670410291 FGESOVKIRQCZNY-OKILXGFUSA-N 306.362 -0.983 30 20 DBED N#Cc1ccc(NCCNC(=O)[C@H]2CN3CCCN2CC3)nc1 763726197 YVNMLYGPEOOKRP-CQSZACIVSA-N 314.393 -0.129 30 20 DBED C#C[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 775384255 DADGJEWVDJGMBW-ZJUUUORDSA-N 323.374 -0.410 30 20 DBED C=CCS(=O)(=O)CCNC(=O)[C@@H]1CC(=O)N(C2CC2)C1 783546361 LSEVNTWWZJJXPW-SNVBAGLBSA-N 300.380 -0.286 30 20 DBED C#CCCCNC(=O)C(=O)NC[C@H](C(C)C)N1CCOCC1 786447298 LSTPVVBFBNGMKL-CQSZACIVSA-N 309.410 -0.011 30 20 DBED CC(=NNC(=S)NCC(N)=O)c1ccc2c(c1)OCC(=O)N2 794910389 ZWEZQFGGQSLXPU-UHFFFAOYSA-N 321.362 -0.309 30 20 DBED CC(=O)N/C(=C/c1ccccc1)C(=O)NCC(=O)NCC#N 804821651 XJSSDUXIVPXAPJ-UKTHLTGXSA-N 300.318 -0.080 30 20 DBED C#C[C@H](NC(=O)C(=O)NCC1(N(C)C)CCC1)[C@@H]1CCCO1 807026851 FGLZZVGHGIAKFE-STQMWFEESA-N 307.394 -0.116 30 20 DBED C[C@@](O)(Cn1ccccc1=O)C(=O)N[C@H]1CCCN(O)C1=O 848134301 RGZXCALWLHSHKM-IINYFYTJSA-N 309.322 -0.904 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N1CCC(C(=O)OC)CC1 850709893 LCXZQKQJYVASOF-UHFFFAOYSA-N 324.377 -0.104 30 20 DBED C#CCN(CC(=O)N[C@@H]1CC(=O)N(C)C1=O)C(=O)OC(C)(C)C 854381681 PFVDLZMQILAXGI-SNVBAGLBSA-N 323.349 -0.270 30 20 DBED CC(=NNC(=S)NCCN1CCOCC1)c1cn(C)cn1 872329493 RHNWYFKRDKVMNL-UHFFFAOYSA-N 310.427 -0.060 30 20 DBED N#Cc1ccc(N2CCN(C(=O)[C@H]3COCCN3)CC2)cn1 877297181 PFIRGJYDZPECCG-CQSZACIVSA-N 301.350 -0.410 30 20 DBED C#CC1(O)CN(C(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)C1 890520439 IXZXXIRJCRKQFA-GVXVVHGQSA-N 323.418 -0.081 30 20 DBED N#Cc1cc(N2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)ccn1 912020843 VRFDAEPLMVLYOD-KBPBESRZSA-N 322.390 -0.767 30 20 DBED C#CCN1CCC[C@@H](NC(=O)Cc2ccc(C(N)=O)nc2)C1 923595645 XBBOIAGBKLVOBP-CYBMUJFWSA-N 300.362 -0.063 30 20 DBED CC#CCN1CC[C@H](NC(=O)Cn2ccc(O)nc2=O)[C@H](C)C1 942313042 FECRXACRNDUSHP-OLZOCXBDSA-N 318.377 -0.201 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)[C@H](C)C1 945184218 VRSYBDLJSAWTLW-NEPJUHHUSA-N 318.381 -0.773 30 20 DBED CO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)Cc1cnoc1 945763304 UOPWROUUCHLXNC-ZIAGYGMSSA-N 317.345 -0.028 30 20 DBED CN1CC[C@@H](C(=O)NC2CCN(C(=O)C#CC3CC3)CC2)C1=O 946686645 IMELNOOBOXWLAV-AWEZNQCLSA-N 317.389 -0.015 30 20 DBED O=C(N[C@@H]1CCCN(C(=O)C#CC2CC2)C1)C1CS(=O)(=O)C1 950760905 ATQNBVYTXSEBBT-CYBMUJFWSA-N 324.402 -0.448 30 20 DBED C#Cc1cncc(C(=O)N2CC[C@H]2CNC(=O)c2nc[nH]n2)c1 951593296 ATMSMVVCVBBBPN-LBPRGKRZSA-N 310.317 -0.175 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@H]1CN(C(=O)C(N)=O)CC2 952604515 OGOGRBMVBVHXHD-RVMXOQNASA-N 321.377 -0.345 30 20 DBED CN(C(=O)c1ccc(C#N)[nH]1)C1CN(C(=O)Cn2nccn2)C1 954086864 FRBOXQWIXHGGAW-UHFFFAOYSA-N 313.321 -0.539 30 20 DBED CN(C)c1cnc(C(=O)NC[C@H]2CN(CC#N)C[C@H]2O)cn1 958070228 YQRYLRIKHPQEQO-CMPLNLGQSA-N 304.354 -0.911 30 20 DBED N#CCN1C[C@@H](O)[C@@H](CNC(=O)C23CCCN(CCC2)C3)C1 958171791 MFASVHHKHBNRRH-UONOGXRCSA-N 306.410 -0.205 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2c(C)cc(=O)oc2C)C1 958243575 KRDPPOQZEXSHPJ-CHWSQXEVSA-N 304.346 -0.088 30 20 DBED C#CCCN1C[C@@H](O)[C@@H](CNC(=O)c2cn(C(C)C)nn2)C1 958550619 CXIHHIMCPKFLRM-GXTWGEPZSA-N 305.382 -0.095 30 20 DBED C=C[C@@](C)(CC)C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)C(N)=O 960875595 ZVRMOEHHCHULPG-RWSFTLGLSA-N 309.366 -0.488 30 20 DBED N#CCN1C[C@@H]2C(NC(=O)c3cnc4sccn4c3=O)[C@H]2C1 960895425 WVRZAMNCVKKUMC-UWVGGRQHSA-N 315.358 -0.060 30 20 DBED C[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1NC(=O)c1nc[nH]n1 966291547 UIPRAAIQTMVTAK-KWQFWETISA-N 313.321 -0.105 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cnnn1 968461318 ULQBDATYSWGXEL-GARJFASQSA-N 303.326 -0.965 30 20 DBED C#CCCN1CCO[C@]2(CCN(C(=O)[C@@H]3COCCN3C)C2)C1 972349568 ZUWHBGZYPVEVIK-DOTOQJQBSA-N 321.421 -0.356 30 20 DBED CC#CCN1CCO[C@]2(CCN(C(=O)c3cc(=O)n(C)o3)C2)C1 972351319 DTYMNIHICNNPCZ-MRXNPFEDSA-N 319.361 -0.082 30 20 DBED O=C(C[C@H]1COC(=O)C1)N[C@H]1[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]21 976362909 AYUHDWHAJZITLB-FJZAXULXSA-N 316.357 -0.074 30 20 DBED C=CCCn1cc(C(=O)N(C)C[C@H]2CCN2C(=O)C(N)=O)nn1 977775665 PBKXQUCBRDXCBR-SNVBAGLBSA-N 320.353 -0.988 30 20 DBED C=CCn1cc(C(=O)N2CC(NC(=O)c3cnns3)C2)nn1 990350049 KJNSVRIGWOYIIR-UHFFFAOYSA-N 319.350 -0.430 30 20 DBED C#CCN1CCC(C(=O)N2CC(NC(=O)[C@@H]3CCOC3)C2)CC1 990415538 GXNKDEZAXJVYOR-CQSZACIVSA-N 319.405 -0.305 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H](NC(=O)CC)[C@H](O)C2)nn1 991139385 OKWSJTMTYSKVNF-CMPLNLGQSA-N 307.354 -0.434 30 20 DBED Cn1cncc1C(=O)N[C@H]1CCN(C(=O)C#CC2CC2)C[C@H]1O 991564429 CAILMOGHKNGIKF-GXTWGEPZSA-N 316.361 -0.475 30 20 DBED C=CCN1CCC[C@@H](NC(=O)CN2CCN(C)C(=O)C2)[C@@H]1C 993524304 SPTAEJNIGOUVJZ-UONOGXRCSA-N 308.426 -0.085 30 20 DBED N#Cc1cc(C(=O)N2CC(NC(=O)[C@H]3CCCC(=O)N3)C2)c[nH]1 994108335 WBKNWAAHQCIROL-GFCCVEGCSA-N 315.333 -0.504 30 20 DBED C[C@@H]1[C@H](NC(=O)c2nccnc2C(N)=O)CCCN1CC#N 994379371 UQABVUXQZGOTHF-NXEZZACHSA-N 302.338 -0.318 30 20 DBED C=CCN1CC[C@@H](N[C@H]2CCCN(C(=O)CC(N)=O)C2)C1=O 998782675 XLSQGGNFPAOJKK-NWDGAFQWSA-N 308.382 -0.771 30 20 DBED Cn1cnc(C(=O)NCc2cn([C@@H]3CCN(CC#N)C3)nn2)n1 999991084 LEXRKQXWMLECBN-LLVKDONJSA-N 315.341 -0.893 30 20 DBED CN(C(=O)c1cn(C)c(=O)nc1O)C1CCN(CC#N)CC1 1006396523 PKTXYFBEUTYVIG-UHFFFAOYSA-N 305.338 -0.454 30 20 DBED CC#CCN1CCC(N(C)C(=O)C[C@H]2CC(=O)NC2=O)CC1 1006481838 GXKUXMJSAXOTFV-GFCCVEGCSA-N 305.378 -0.015 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2C(CNC(=O)c3ncn(C)n3)[C@@H]2C1 1009033776 PXGGAUXACSPVHB-MIMYLULJSA-N 302.338 -0.591 30 20 DBED N#Cc1ccc(C(=O)NC2[C@H]3CN(C(=O)c4cnn[nH]4)C[C@H]23)[nH]1 1012965642 GDYLQJRHJHWRPU-IUCAKERBSA-N 311.305 -0.495 30 20 DBED C[C@@H]1[C@H](NC(=O)C(N)=O)CCCN1C(=O)c1cc(C#N)c[nH]1 1015177570 IFBTYXGCYWGUMD-PSASIEDQSA-N 303.322 -0.519 30 20 DBED C#CCN1CCC(C(=O)N[C@H]2CCN([C@H](CC)C(N)=O)C2)CC1 1016335886 HAJCIDVXGGGNGA-LSDHHAIUSA-N 320.437 -0.214 30 20 DBED Cn1c(O)ncc(C(=O)N[C@H]2CC23CCN(CC#N)CC3)c1=O 1016762418 DCSZFJCGJQPOES-NSHDSACASA-N 317.349 -0.406 30 20 DBED Cn1nc(C(=O)N[C@H]2CC23CCN(CC#N)CC3)ccc1=O 1016962093 WUVNWFJLIDVUNM-LBPRGKRZSA-N 301.350 -0.112 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2C[C@H](NCC(=O)N3CCC3)C2)[nH]1 1020084610 LRGLIGTVAMZILN-HAQNSBGRSA-N 301.350 -0.031 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H](NCc2ncnn2C)C1 1020250912 WNZFMEWHSVKXLA-IHRRRGAJSA-N 316.409 -0.351 30 20 DBED C=CCN[C@@H]1CC[C@@H]2CN(C(=O)CN3CC(=O)N(C)C3=O)C[C@H]21 1026397811 QEIFUWGIWSNUAX-JHJVBQTASA-N 320.393 -0.107 30 20 DBED C=CCN1CC[C@H](N2CC[C@H](CNC(=O)c3nc[nH]n3)C2)C1=O 1028876535 DKOAQKAAGYAYQV-NEPJUHHUSA-N 318.381 -0.357 30 20 DBED C=C(C)CCN1CC[C@@H](CNC(=O)c2cn(CC(N)=O)nn2)C1 1029003448 IHYWGMQVXRXWFJ-LBPRGKRZSA-N 320.397 -0.219 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCC1CN([C@@H]2CCNC2=O)C1 1031741214 SJDVGOSDXWZMFY-UONOGXRCSA-N 304.394 -0.980 30 20 DBED C[C@H]1CN(C(=O)CCc2nnc(O)nc2O)CC[C@H]1NCC#N 1036096265 IGNLOQVJBCBCFJ-VHSXEESVSA-N 320.353 -0.434 30 20 DBED CCn1ncc(C(=O)NC[C@]2(O)CCN(C(=O)[C@H](C)C#N)C2)n1 1039630859 CGRPKGWSPJUPEH-QMTHXVAHSA-N 320.353 -0.849 30 20 DBED C[C@H]1[C@@H](Nc2cncc(C#N)n2)CCN1C(=O)[C@H]1C[C@H]1C(N)=O 1040252916 XLGUEURGJHFLNI-IELRGYKMSA-N 314.349 -0.129 30 20 DBED C[C@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)C23CCN(CC2)C3)C1 1040761654 UWSGZHTVDXHBCU-WBMJQRKESA-N 320.393 -0.679 30 20 DBED Cc1[nH]ccc1C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1O 1040955106 JTFUOENXRBJSPR-VXGBXAGGSA-N 312.333 -0.036 30 20 DBED C#CCN1CC[C@]2(CCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C2)C1 1041718728 ZOFJBFFVRDXKFK-NHYWBVRUSA-N 304.350 -0.858 30 20 DBED C#Cc1ccc(C(=O)N2CC(O)(CNC(=O)[C@H](C)OC)C2)nc1 1041758104 DYGSZTUULBTXCF-NSHDSACASA-N 317.345 -0.599 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)[C@H]2CN(C)C[C@@H]2C)C1 1041963770 ZDNYAGIRASASAD-STQMWFEESA-N 309.410 -0.160 30 20 DBED CN(C(=O)c1c[nH]c(C#N)c1)C1CN([C@@H]2CCC(=O)NC2=O)C1 1042638392 HVMLBHSFSYFGIE-GFCCVEGCSA-N 315.333 -0.552 30 20 DBED CCc1cc(C(=O)N2CC(O)(CNC(=O)C#CC3CC3)C2)n[nH]1 1042959059 UYZFIWVNZZPBPB-UHFFFAOYSA-N 316.361 -0.311 30 20 DBED C=C(C)CCC(=O)NCC1(O)CN(C(=O)Cc2n[nH]c(C)n2)C1 1043310058 BXZCAPMXAZTTIG-UHFFFAOYSA-N 321.381 -0.299 30 20 DBED C=CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)c2ccn(C)n2)C1 1043574562 GCXOOUULVDTKQL-LLVKDONJSA-N 322.365 -0.686 30 20 DBED N#Cc1nccc(N2C[C@H](O)[C@H](NC(=O)C3=COCCC3)C2)n1 1043876212 WEMWJKBSIXCDSU-NEPJUHHUSA-N 315.333 -0.292 30 20 DBED N#Cc1cnccc1N1C[C@H](O)[C@H](NC(=O)c2csnn2)C1 1044354424 DADSPENIEFZIAP-SKDRFNHKSA-N 316.346 -0.216 30 20 DBED C=CCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[C@H]2C(N)=O)C1 1044444932 WXADNBJCONIHRK-VXGBXAGGSA-N 323.393 -0.456 30 20 DBED C=C[C@@H](C)[C@H](C)C(=O)N1CC(O)(CNC(=O)c2cnon2)C1 1045197248 OUQFAWWALXDVPE-ZJUUUORDSA-N 308.338 -0.169 30 20 DBED C=CCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2COCCO2)C1 1045451612 XWBFFENNWBIKEJ-LBPRGKRZSA-N 312.366 -0.552 30 20 DBED C#CCN1CC[C@H](N2CCN(C(=O)C3CN(C(C)=O)C3)CC2)C1 1046024054 CUKAIPDMLHMHQS-INIZCTEOSA-N 318.421 -0.684 30 20 DBED CC#CCN1C[C@H]2CN(C(=O)C3CC(=O)NC(=O)C3)C[C@H]2C1 1049114338 QMNNUKPPSKTYFT-BETUJISGSA-N 303.362 -0.547 30 20 DBED C=C(C)C[C@@H](C)C(=O)N(C)[C@H]1CN(C(=O)CC(N)=O)C[C@@H]1O 1049267716 BOZZGMXRIKHAIJ-WOPDTQHZSA-N 311.382 -0.506 30 20 DBED CN1CCN(CC(=O)N2CCC[C@@H]3[C@H]2CCN3CC#N)CC1=O 1049561557 MTXSVXITMPDIDZ-ZIAGYGMSSA-N 319.409 -0.651 30 20 DBED N#CCN1CCOC[C@@H]1CNC(=O)c1cnn2cccnc12 1051059156 YOGYFPZZTAAWPP-NSHDSACASA-N 300.322 -0.317 30 20 DBED C#CCCN1CCOC[C@@H]1CNC(=O)c1ccc(=O)n(CC)n1 1051172070 DQKRWXXNZDXWCD-ZDUSSCGKSA-N 318.377 -0.283 30 20 DBED N#CCN1CCOC[C@H]1CNC(=O)c1cccn2c(O)nnc12 1051203344 HXKZWMKYQXXENA-SNVBAGLBSA-N 316.321 -0.611 30 20 DBED C#CCCN1CCOC[C@@H]1CNC(=O)c1ccc(=O)n(C)n1 1051237823 ZKRAVLYDKLVORK-LBPRGKRZSA-N 304.350 -0.766 30 20 DBED C#CCCN1CCOC[C@H]1CNC(=O)c1cccc(C(N)=O)n1 1051263846 MDSRMWVHDMIYTO-GFCCVEGCSA-N 316.361 -0.366 30 20 DBED COc1ccc(CNC[C@@H]2CN(C(=O)[C@@H](C)C#N)CCO2)nn1 1051494301 HFMXYCMYHPUAHW-WCQYABFASA-N 319.365 -0.038 30 20 DBED N#Cc1cccnc1N1CC[C@@H](NC(=O)c2nc[nH]n2)[C@@H](O)C1 1051710651 CPONDMKDZLOJLL-MNOVXSKESA-N 313.321 -0.559 30 20 DBED C[C@@H]1CN(c2nccnc2C#N)C[C@H]1CNC(=O)c1cnn[nH]1 1053243606 OXHPFTKNQLOLET-NXEZZACHSA-N 312.337 -0.031 30 20 DBED N#CCN1CC2(C1)CN(C(=O)[C@@H]1CCC[C@H](C(N)=O)C1)CCO2 1053452930 JHEVDYJIWADGIL-QWHCGFSZSA-N 320.393 -0.285 30 20 DBED C#CCN1CC2(CC[C@@H](CNC(=O)[C@@H]3CCC(=O)N(C)C3)O2)C1 1053701301 RKVLCVBOFNAUJS-KGLIPLIRSA-N 319.405 -0.162 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)CN3CCCC3=O)CO2)C1 1053734386 MQXCQPFADBAVOJ-ZDUSSCGKSA-N 305.378 -0.408 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)c3cnnc(O)c3)CO2)C1 1053841163 BIEZGEQQRUTPSW-LBPRGKRZSA-N 302.334 -0.221 30 20 DBED C=CCN1CC2(C[C@@H](NC(=O)c3ccc(C(N)=O)nc3)CO2)C1 1054023732 FSUABMMVDKENBV-GFCCVEGCSA-N 316.361 -0.060 30 20 DBED C#CCN1CC[C@@]2(CCCN(C(=O)C3CC(=O)NC(=O)C3)C2)C1 1054213594 IINQOKFLFSNKQR-KRWDZBQOSA-N 317.389 -0.013 30 20 DBED CO[C@H](C)C(=O)N1CCC[C@@](CO)(NC(=O)C#CC2CC2)C1 1055936624 JSNQWKACEAQHBB-MLGOLLRUSA-N 308.378 -0.096 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]2[C@H]1CCCN2C(=O)CCNC(N)=O 1056400348 SHRPLHIWTDQZQO-IJLUTSLNSA-N 321.381 -0.204 30 20 DBED N#Cc1ccc(C(=O)NCCN(CCO)C(=O)c2cc[nH]n2)[nH]1 1057045198 QWLORGSDMXVDPP-UHFFFAOYSA-N 316.321 -0.526 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)C[C@@H]1CCOC1 1057250654 LTJMTIRNAVNECR-ZDUSSCGKSA-N 314.382 -0.447 30 20 DBED COC1CC(C(=O)NCCN(CCO)C(=O)C#CC2CC2)C1 1057536480 ZONBUCNZBCDEKJ-UHFFFAOYSA-N 308.378 -0.238 30 20 DBED C#CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)[C@H](C)SC 1057583579 UDGCGUOIUHOFSV-RYUDHWBXSA-N 316.423 -0.287 30 20 DBED N#Cc1cnc(N[C@H]2CCCN(C(=O)Cn3cnnn3)C2)cn1 1057586213 RLBIGQYEEUONKF-JTQLQIEISA-N 313.325 -0.562 30 20 DBED C=CC(C)(C)C(=O)NCCN(CCO)C(=O)c1cncnc1O 1057926958 RQDNHCUHWBSKOT-UHFFFAOYSA-N 322.365 -0.055 30 20 DBED N#Cc1nccnc1N1CCC[C@@H](NC(=O)Cn2cnnn2)C1 1058118695 NGJPGQQIUDBLDP-SNVBAGLBSA-N 313.325 -0.880 30 20 DBED N#Cc1ccc(N2CCC[C@H](NC(=O)Cn3cnnn3)C2)cn1 1058118987 VWMNOGMKPPRKRO-LBPRGKRZSA-N 312.337 -0.275 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)c1cnc(O)n1C 1058298638 JDSDJRDJEXXYRC-UHFFFAOYSA-N 322.365 -0.664 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)C(=O)NCC1CC1 1058587045 LAAGDZGLFKMWRF-UHFFFAOYSA-N 323.393 -0.747 30 20 DBED C=C(Cl)C(C)(C)C(=O)NCCN(CCO)C(=O)C(N)=O 1058640145 CUKXIRJUMPYIEJ-UHFFFAOYSA-N 305.762 -0.813 30 20 DBED C=CC(C)(C)C(=O)NCCN(CCO)C(=O)[C@H](COC)OC 1058758313 LFEGEBIHXUKPFH-LBPRGKRZSA-N 316.398 -0.203 30 20 DBED C#CCOCCC(=O)NCC[C@H]1CCN(C(=O)CNC(C)=O)C1 1059053082 WKGHGDGTNFZINW-AWEZNQCLSA-N 323.393 -0.483 30 20 DBED C#CCOCCC(=O)N1CCOC[C@@H]1CNC(=O)[C@H](C)OC 1061371150 ZPHKFOHDTCHBTP-STQMWFEESA-N 312.366 -0.595 30 20 DBED C=CCCOCC(=O)NC[C@H]1COCCN1C(=O)c1cnon1 1061668281 OXOZZILMMSHZBG-NSHDSACASA-N 324.337 -0.381 30 20 DBED C#CCCCCC(=O)N1CCOC[C@@H]1CNC(=O)c1cnn[nH]1 1061697532 SPMWQLPYVZLPQN-LBPRGKRZSA-N 319.365 -0.045 30 20 DBED C#CCCCC(=O)NC1(CNC(=O)Cn2cnnn2)CCC1 1062499264 BZAQRMUTCHRECC-UHFFFAOYSA-N 304.354 -0.368 30 20 DBED C=CCOCC(=O)NCC1(NC(=O)[C@@H]2CCC(=O)NC2)CCC1 1062704372 INQUVFYKRVYDCG-GFCCVEGCSA-N 323.393 -0.130 30 20 DBED C#CCNC(=O)CC(=O)NCC1(NC(=O)COCC)CCC1 1062829221 DSVHXUWHWHVRRI-UHFFFAOYSA-N 309.366 -0.683 30 20 DBED CN(C(=O)Cn1ncnn1)[C@@H]1CCN(c2ncccc2C#N)C1 1062980035 ICLHHDSBEZGOEB-GFCCVEGCSA-N 312.337 -0.323 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H]1CCCN1C(=O)Cn1cnnn1 1064855974 KGRTXMMHNBOPHB-LBPRGKRZSA-N 312.337 -0.535 30 20 DBED N#Cc1nc(=NC[C@@H]2CCCN2C(=O)[C@@H]2COCCO2)cc[nH]1 1064866920 GCIROHQSDHAREI-RYUDHWBXSA-N 317.349 -0.412 30 20 DBED CCC(=O)NCC(=O)N1CCO[C@@H](CNC(=O)[C@H](C)C#N)C1 1064983159 OPPPVJSNIKTFML-MNOVXSKESA-N 310.354 -0.984 30 20 DBED C#CCC1(C(=O)N2CCO[C@@H](CNC(=O)CC(N)=O)C2)CCC1 1065232204 ODYOEHDOTJCKMZ-LBPRGKRZSA-N 321.377 -0.601 30 20 DBED Cn1cc(C(=O)N[C@@]2(C)CCN(c3nccnc3C#N)C2)nn1 1065246459 CWUHEBGZGQJLAM-AWEZNQCLSA-N 312.337 -0.124 30 20 DBED C[C@]1(NC(=O)[C@@H]2COC(=O)N2)CCN(c2cnc(C#N)cn2)C1 1065251171 RLYNQHYBAQTKMW-HZMBPMFUSA-N 316.321 -0.458 30 20 DBED C=CCCCC(=O)N1CCO[C@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 1065546406 WXYYVEKMLBEWBN-NEPJUHHUSA-N 324.381 -0.632 30 20 DBED N#Cc1ccc(NC[C@H]2C[C@H](NC(=O)[C@@H]3CNC(=O)N3)C2)nc1 1068573479 QISYQBGMDRZNHO-SRVKXCTJSA-N 314.349 -0.059 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2conc2C)C1 1070012693 JLIAXPPFJSQASI-OLZOCXBDSA-N 300.322 -0.137 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)Cn2cncn2)CCOCC1 1070232651 OCDPCQJJHUKJEF-LLVKDONJSA-N 320.353 -0.781 30 20 DBED Cn1cnc(C(=O)N[C@@H]2CCCN(C(=O)CSCC#N)C2)n1 1070452541 OHFAQKFIGGISLL-SNVBAGLBSA-N 322.394 -0.207 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)[C@@H]2CCO[C@H]2C=C)CC1 1071001263 PANLAVDEGLPRKU-CABCVRRESA-N 319.405 -0.139 30 20 DBED C[C@H]1CN(C(=O)CCn2cncn2)C[C@@]2(CCN(CC#N)C2)O1 1071136828 QOVLMRLVBAXYMQ-ZFWWWQNUSA-N 318.381 -0.116 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)c2ccc(O)nn2)C[C@H]1C 1071533142 IEBVAPHMDHQYTI-ZYHUDNBSSA-N 320.349 -0.039 30 20 DBED C#CCN1C[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)CC[C@@H]1C 1071549646 SJEHLZRHZBWUMA-STQMWFEESA-N 318.377 -0.851 30 20 DBED CCN1CCO[C@H](C(=O)NC[C@H]2CN(CC#N)CCCO2)C1 1073895720 ADUAAAIVPSHWNT-KBPBESRZSA-N 310.398 -0.562 30 20 DBED COCCN1C[C@H](C(=O)N2CC[C@H](NCC#N)[C@@H]2C)CC1=O 1074675736 IDHBUUBFAWQPLR-XQQFMLRXSA-N 308.382 -0.416 30 20 DBED Cc1cc(C(=O)NCC2(O)CCN(C(=O)[C@H](C)C#N)CC2)n[nH]1 1074705788 ZHYCZYJWAPWRCM-SNVBAGLBSA-N 319.365 -0.039 30 20 DBED C=CCOCC(=O)N1CC[C@@H](NC(=O)C2(C(N)=O)CC2)C[C@H]1C 1075140090 SZKQZPVDIHTXPC-VXGBXAGGSA-N 323.393 -0.050 30 20 DBED C=CCOCC(=O)N[C@@H](C)CCNC(=O)[C@H]1CCNC(=O)C1 1076136135 WWLGCLJMRJBBDT-RYUDHWBXSA-N 311.382 -0.274 30 20 DBED C#CCOCCC(=O)NCC[C@H](C)NC(=O)C1(C(N)=O)CC1 1076505116 IKQNKKKBNWIRQD-NSHDSACASA-N 309.366 -0.697 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)c2cn(C3CCC3)nn2)C1 1077010572 CNPADIUPXGZPRR-TZMCWYRMSA-N 303.366 -0.199 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2n[nH]cc2Br)C1 1077854415 JKQLXIHEVUXOTD-RKDXNWHRSA-N 313.155 -0.420 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(N(CC)C(=O)Cn2nccn2)C1 1079847002 MKCUQYNXLDSOOC-OAHLLOKOSA-N 321.381 -0.336 30 20 DBED C=C(Cl)CN1C[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)[C@H](C)C1 1080525699 HDNIQUPVOJOBEY-FKTZTGRPSA-N 314.773 -0.227 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CO)(NC(=O)CN2CCCC2)CC1 1080866569 OOZDHYFEXNOYBI-CYBMUJFWSA-N 322.409 -0.288 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C[C@@H]1O 1081438429 CGKYHLLQIRIFLZ-NJURLYQPSA-N 320.389 -0.382 30 20 DBED CO[C@@H]1CN(Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)C(N)=O 1082086909 XLQUJJQWCRDWFP-CHWSQXEVSA-N 320.324 -0.502 30 20 DBED COc1cc(CC(=O)N[C@@H]2CN(CC#N)C[C@H]2OC)ccn1 1082137311 RQJIZHQOQMGNDW-CHWSQXEVSA-N 304.350 -0.028 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](NCC(=O)N2CCOCC2)[C@H](C)C1 1082451229 UFWRWYYMRGHINE-YNEHKIRRSA-N 308.382 -0.559 30 20 DBED Cn1nnc(CN2C[C@H]3[C@@H](C2)OCCN3C(=O)C#CC2CC2)n1 1083077912 CIBYVKRIRVJCPR-QWHCGFSZSA-N 316.365 -0.965 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CCc1cnn(C)n1 1083195597 DFBJIUOZFOODDA-LSDHHAIUSA-N 317.393 -0.317 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)c2ccc(C(=O)NC)nc2)C1 1083963853 JULVZWSPIBAKQX-KGLIPLIRSA-N 316.361 -0.761 30 20 DBED Cn1nnnc1CN[C@H]1C[C@@H](CNC(=O)c2c[nH]c(C#N)c2)C1 1086064315 CAUQAMQQIREIOF-JGZJWPJOSA-N 314.353 -0.292 30 20 DBED C#CCCN1C[C@H]2[C@@H]3CC[C@@H](CN3C(=O)Cn3cnnn3)[C@H]2C1 1089769045 HSFAIXCFOHPLDZ-YJNKXOJESA-N 314.393 -0.135 30 20 DBED C=C(Cl)CN1CC[C@H](NC(=O)c2cc(=O)n(C)o2)[C@H](O)C1 1090225329 NAZZBFXXZLZBHI-VHSXEESVSA-N 315.757 -0.104 30 20 DBED Cc1cccn(CC(=O)N[C@@H]2CCN(CC#N)C[C@H]2O)c1=O 1090264840 IFQABXYAZZUDKU-CHWSQXEVSA-N 304.350 -0.768 30 20 DBED CC#CCN1C[C@@H]2CN(C(=O)CN3CC(=O)NC3=O)C[C@]2(C)C1 1092103383 RCRUONXRTWOPFW-WBMJQRKESA-N 318.377 -0.658 30 20 DBED C#CCN1C[C@@H]2CN(C(=O)[C@H]3CN(C(C)=O)CCO3)C[C@]2(C)C1 1092242686 XRRHGAIBDOYUCS-INMHGKMJSA-N 319.405 -0.353 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ncccn1 1092827170 SLDFIMJRSQYEEM-AGIUHOORSA-N 313.361 -0.158 30 20 DBED N#Cc1nccc(N2C[C@H]3C(NC(=O)CCCC(N)=O)[C@@H]3C2)n1 1093278254 LAUANIOJOGSTSL-NXEZZACHSA-N 314.349 -0.445 30 20 DBED N#CCN1CC(OC2CCN(C(=O)Cn3cncn3)CC2)C1 1093595533 GZYLPMPGWZEKJX-UHFFFAOYSA-N 304.354 -0.507 30 20 DBED Cc1cc(C(=O)NCc2cn(C3CN(CC#N)C3)nn2)nn1C 1094278153 AIMGNBGZQOPMCV-UHFFFAOYSA-N 314.353 -0.370 30 20 DBED CC#CCN1CC(n2cc(CNC(=O)[C@@H]3[C@H]4COC[C@H]43)nn2)C1 1094311363 VRHQUMAKUBICKB-FICVDOATSA-N 315.377 -0.333 30 20 DBED N#Cc1ccc(NCCCNC(=O)[C@@H]2CCS(=O)(=O)N2)cn1 1094437541 PSEAAOUYYOBITP-LBPRGKRZSA-N 323.378 -0.437 30 20 DBED N#CCN1CCN(C(=O)c2ccoc2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094603904 SVLVZSBPYHSRSP-NWDGAFQWSA-N 309.347 -0.273 30 20 DBED CC(=O)NCC(=O)N1CCC(N=c2cc[nH]c(C#N)n2)CC1 1095212229 GZFFNUREWRURLN-UHFFFAOYSA-N 302.338 -0.691 30 20 DBED CCNC(=O)CCC(=O)N[C@@H]1CCN(c2cnc(C#N)cn2)C1 1096333076 QASIJPDGFSFRQJ-LLVKDONJSA-N 316.365 -0.041 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1CC(=O)N(C)C1=O 1098208273 NNSLULYZPLVSLH-UTUOFQBUSA-N 304.350 -0.765 30 20 DBED C[C@@H](CCNC(=O)[C@@H]1COCCN1C)N=c1cc[nH]c(C#N)n1 1099022682 WZVSBCHVVSIEHX-RYUDHWBXSA-N 318.381 -0.593 30 20 DBED C=CCCN1CC[C@H](NC(=O)CNC(=O)N2CCCC2)[C@H](O)C1 1099833226 SPZCATHBBMUCTM-UONOGXRCSA-N 324.425 -0.081 30 20 DBED CN(CCNC(=O)c1cc2n(n1)CCO2)c1nccnc1C#N 1100382859 ZPGSXNJRWOVAAM-UHFFFAOYSA-N 313.321 -0.197 30 20 DBED CN(CCNC(=O)C[C@@H]1NC(=O)NC1=O)c1ncccc1C#N 1100388666 XFRBJJJKZKHQPB-JTQLQIEISA-N 316.321 -0.896 30 20 DBED C=CCNC(=O)CNC1CC(CNC(=O)Cn2ccc(C)n2)C1 1100687766 LYLMLOGNPQCVGO-UHFFFAOYSA-N 319.409 -0.022 30 20 DBED C=CCNC(=O)CNC1CC(CNC(=O)C23CCN(CC2)C3)C1 1100874591 OCWREKJYWJZUOX-UHFFFAOYSA-N 320.437 -0.131 30 20 DBED CNC(=O)NCC(=O)NC[C@H]1CCN(c2cnc(C#N)cn2)C1 1101065695 BVITYRRQKAKYOG-SNVBAGLBSA-N 317.353 -0.780 30 20 DBED Cn1cnc(C(=O)NCCN(c2nccnc2C#N)C2CC2)n1 1101336290 WFCJCQSXRYBXAX-UHFFFAOYSA-N 312.337 -0.124 30 20 DBED CN(CCNc1nccnc1C#N)C(=O)CN1CCCC1=O 1101495762 ZMZPGVMMBGYYRW-UHFFFAOYSA-N 302.338 -0.159 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H](C)[C@H](CNC(=O)CC(=O)NC)C1 1101906848 CAZSJZOYYHNPJE-FRRDWIJNSA-N 324.425 -0.503 30 20 DBED COCCOCC(=O)N1CCC[C@@H]1CN=c1cc[nH]c(C#N)n1 1103794737 FCTADKLHYQRTRW-GFCCVEGCSA-N 319.365 -0.164 30 20 DBED CNC(=O)NCC(=O)NC[C@H](C)CN=c1cc[nH]cc1C#N 1104246499 VHDJNBVUONFLLR-SNVBAGLBSA-N 304.354 -0.532 30 20 DBED COC(=O)NCC(=O)N(C)CCN(C)c1nc(C)cc(C#N)n1 1105355821 NDGIFXPZDXLYLO-UHFFFAOYSA-N 320.353 -0.093 30 20 DBED C#CCN1CC(OC2CCN(C(=O)CCNC(N)=O)CC2)C1 1105733565 HNDLEWOXDCQQJJ-UHFFFAOYSA-N 308.382 -0.630 30 20 DBED C=CCOCCNC[C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1C 1105805325 VIOCQCSDUWSRGH-CHWSQXEVSA-N 308.386 -0.440 30 20 DBED Cc1cc(CC(=O)NC[C@@H](O)CNc2nccnc2C#N)n[nH]1 1105816510 FMDLGHFTESUIFY-LLVKDONJSA-N 315.337 -0.489 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](C)[C@H](CNCCC[C@@H](C)O)C1 1106034242 ANYHQMPCRNBIRH-RBSFLKMASA-N 323.437 -0.029 30 20 DBED CC(=O)N1CC(C(=O)NC/C=C/CN=c2cc[nH]c(C#N)n2)C1 1107169246 ZNBRFBROJBRTNY-NSCUHMNNSA-N 314.349 -0.667 30 20 DBED C#CCN1CC(n2cc(CNC(=O)C3(COC)CC3)nn2)C1 1107184338 JQIKATNDSKLICI-UHFFFAOYSA-N 303.366 -0.189 30 20 DBED CNC(=O)NCC(=O)NC/C=C/CNc1ccc(C#N)nc1 1107570583 XCBRACOOFWBECP-NSCUHMNNSA-N 302.338 -0.033 30 20 DBED C[C@H](CNc1cnc(C#N)cn1)NC(=O)c1cnn(C)c1N 1107690378 YBNKRHAFSGVYKO-MRVPVSSYSA-N 300.326 -0.106 30 20 DBED C[C@H](CNc1ccc(C#N)cn1)NC(=O)Cn1cnnc1O 1107726959 ZPOPWJUPVQLFOF-SECBINFHSA-N 301.310 -0.133 30 20 DBED CC#CCN1CCO[C@@](C)(CNC(=O)C[C@H](C)NC(N)=O)C1 1107942627 UMGTWUGLFBSTNZ-WFASDCNBSA-N 310.398 -0.336 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)[C@@H](C)S(C)(=O)=O)C1 1108028558 HTZUVXLDBFRIGK-YPMHNXCESA-N 302.396 -0.740 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 1108216043 QAQONLSXAOUQAE-WOSRLPQWSA-N 307.394 -0.449 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)Cn1ccccc1=O 1108377899 NGRXLSXBGXBMHY-NSHDSACASA-N 312.333 -0.451 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)CNC(=O)C2CCC2)C1 1108420229 YJLOPMMBIKPQOK-INIZCTEOSA-N 307.394 -0.257 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)CCc3cnc[nH]3)CC2=O)C1 1108549718 OLPXKHUUVWELMP-CYBMUJFWSA-N 317.393 -0.070 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)c1ccc2nn[nH]c2n1 1108749424 ZWXNSDLPBKXKSI-QMMMGPOBSA-N 323.320 -0.333 30 20 DBED CC(=O)N1CC(C(=O)N[C@@H](C)CN(C)c2nccnc2C#N)C1 1108917986 SUWSWKQAJFWQFN-JTQLQIEISA-N 316.365 -0.233 30 20 DBED N#Cc1cnc(NC[C@H](NC(=O)C(N)=O)C2CCCC2)cn1 1110679686 XBKIVZADYYRUCZ-NSHDSACASA-N 302.338 -0.080 30 20 DBED N#Cc1nc(=NCCN(CCO)C(=O)c2cnsn2)cc[nH]1 1111425203 ADQHGOIGVOIDNS-UHFFFAOYSA-N 319.350 -0.832 30 20 DBED N#Cc1cnc(NCCN(CCO)C(=O)c2cnon2)cn1 1111494797 IWIJHECWTFDMCR-UHFFFAOYSA-N 303.282 -0.722 30 20 DBED Cn1nnc(C(=O)N(CCO)CCNc2ccc(C#N)nc2)n1 1111549493 UUGHPZOMDOTUMV-UHFFFAOYSA-N 316.325 -0.977 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)CCC(=O)NCC)CC1 1112698985 PATNYHPPDNYKMI-CYBMUJFWSA-N 322.409 -0.815 30 20 DBED COCCCC(=O)NC[C@@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1112704544 FHKZGNYHVGPFOE-YPMHNXCESA-N 319.365 -0.312 30 20 DBED CC(C)OCC(=O)NC[C@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1112709407 JAKABGBWOPSOFV-AAEUAGOBSA-N 319.365 -0.313 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)Cc2cc(C)[nH]n2)CC1 1112764020 MAHRKTCRAGMJJO-ZDUSSCGKSA-N 317.393 -0.457 30 20 DBED CCN1CCO[C@H](C(=O)N2CCN(CC#CCOC)CC2)C1 1113658493 XWJJHFPQIDWGNB-HNNXBMFYSA-N 309.410 -0.499 30 20 DBED C=CCN(CC=C)C(=O)CN1C[C@H]2C(NC(=O)COC)[C@@H]2C1 1113757914 OMPBXZNFHZPFJJ-CHWSQXEVSA-N 307.394 -0.120 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CCNC1=O)N(C)c1ccnc(C#N)n1 1113802664 RGPUFGQWUQWVKU-VHSXEESVSA-N 302.338 -0.575 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)c3ocnc3C)[C@H]2C1 1114104159 XFVQWANKBUIJAS-SRVKXCTJSA-N 316.361 -0.219 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3cc(OC)no3)[C@H]2C1 1114155127 GWUPTUONHGDVEN-MSRIBSCDSA-N 318.333 -0.907 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1[C@@H]2CN(CC[C@H]3CCOC3)C[C@@H]21 1114159540 HGVWADLVXHLCJR-SZOQZIPDSA-N 319.405 -0.401 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3nccn3CC)[C@H]2C1 1114189436 OWLBJMJRVOTARU-RYUDHWBXSA-N 315.377 -0.688 30 20 DBED CS(=O)(=O)CCCN1C[C@@H]2C(NC(=O)C#CC3CC3)[C@H]2C1 1114257859 HANUJYQZSMPLQY-STQMWFEESA-N 310.419 -0.119 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H]1[C@@H]2CN(Cc3cn(CC)nn3)C[C@@H]21 1114273539 OFSBLSFJBDPTOX-RZFFKMDDSA-N 317.393 -0.117 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)CN3CC[C@@H](C)C3)[C@@H]2C1 1114831632 DRMVIRMOPIFSDF-MGPQQGTHSA-N 318.421 -0.876 30 20 DBED C=CCCCN1C[C@H]2[C@H](NC(=O)[C@H](C)NS(C)(=O)=O)[C@H]2C1 1114888820 OLQPZSPORISUMD-WUHRBBMRSA-N 315.439 -0.063 30 20 DBED N#CCN1C[C@@H]2C(NC(=O)C3(NC(N)=O)CCCCC3)[C@H]2C1 1114930831 VVSWJEIKGUHFHS-QWRGUYRKSA-N 305.382 -0.072 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3ccc(OC)o3)[C@H]2C1 1115007094 FCJRCENELFLKRW-QWRGUYRKSA-N 317.345 -0.302 30 20 DBED N#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)CCn3cccc3)[C@H]2C1 1115015239 APPYCFUZSVZRDY-VIKVFOODSA-N 315.377 -0.436 30 20 DBED C[C@@]1(C(=O)N[C@H]2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]32)CCOC1 1115015641 IIXBYSRXWUFVMI-REJLFOLJSA-N 306.366 -0.901 30 20 DBED N#CCN1C[C@H]2C(NC(=O)CCC(=O)N3CCOCC3)[C@@H]2C1 1115208890 MFNKYKSRFKNVAT-VXGBXAGGSA-N 306.366 -0.805 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)c3ccn(C)n3)[C@H]2C1 1115244077 ZYECEZGWAOUVKC-SRVKXCTJSA-N 317.393 -0.229 30 20 DBED C=CCCOCC(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1115324405 PYSSAZNCNGAGPV-JYAVWHMHSA-N 306.366 -0.735 30 20 DBED C[C@H](CN(C)C(=O)[C@@H]1COC(=O)N1)Nc1cncc(C#N)n1 1115702719 LAXJRCALLAANMK-SCZZXKLOSA-N 304.310 -0.285 30 20 DBED C=C[C@H](COC)NC(=O)C1CCN(S(=O)(=O)NC)CC1 1117401163 SZWZHKYQTQAOQL-LLVKDONJSA-N 305.400 -0.520 30 20 DBED CCn1ccnc1C(=O)NC[C@H](CO)Nc1cncc(C#N)n1 1121411984 IHGGUZBOIROWTF-LLVKDONJSA-N 315.337 -0.233 30 20 DBED CCOCCOCC(=O)NC[C@@H](CO)Nc1cncc(C#N)n1 1121676331 IPHXPQWGPBOXKR-LBPRGKRZSA-N 323.353 -0.710 30 20 DBED COC[C@H](C)CC(=O)NC[C@H](CO)N=c1cc[nH]cc1C#N 1121984567 JFQNOKNTBYUXAY-DGCLKSJQSA-N 306.366 -0.063 30 20 DBED COCC(C)(C)C(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1 1122230111 QWZPRVFVOGBDMQ-SNVBAGLBSA-N 307.354 -0.668 30 20 DBED C[C@H](CC(N)=O)C(=O)NC[C@H](CO)Nc1ncc(C#N)cc1F 1122353916 FJBVSXFZIRSWRL-PSASIEDQSA-N 323.328 -0.507 30 20 DBED C[C@H](NC(N)=O)C(=O)N(C)C[C@@H](O)CNc1ccc(C#N)cn1 1124261814 HNSXXYSOHCXMPR-ONGXEEELSA-N 320.353 -0.759 30 20 DBED Cc1cc(=NC[C@@H](O)CN(C)C(=O)[C@H](O)C(C)C)c(C#N)c[nH]1 1124295704 JVGZUIWTIQAWMW-UKRRQHHQSA-N 320.393 -0.068 30 20 DBED Cc1nn[nH]c1C(=O)N(C)C[C@@H](O)CN=c1cc[nH]cc1C#N 1124633149 DNODGLBMRMVVFS-NSHDSACASA-N 315.337 -0.653 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)c2cccc(O)n2)C1=O 1125297670 USUICIMZXXMBON-LBPRGKRZSA-N 304.350 -0.107 30 20 DBED C#CCO[C@H](C)C(=O)NCCNCCNC(=O)NC(C)(C)C 1127046803 UUWZWEVJMUSPRU-GFCCVEGCSA-N 312.414 -0.172 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)CO[C@@H]2CCOC2)C1=O 1127143111 YXLLZOWLVWYERP-CHWSQXEVSA-N 311.382 -0.715 30 20 DBED COCC#CCNCCNC(=O)COc1c(C)nn(C)c1C 1127362515 OJMVGYSVDPZXCV-UHFFFAOYSA-N 308.382 -0.229 30 20 DBED C=CCCNCc1nnc2n1CC[C@H](NC(=O)C(N)=O)CC2 1128049234 USXFCCCOUPABDL-SNVBAGLBSA-N 306.370 -0.750 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(CCCO)C[C@@H]1n1ccnn1 1128971485 LPTPESLCAFFJPG-KGLIPLIRSA-N 305.382 -0.339 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)c1c(C)nnn1CC 1129274661 KQXTVJLMUWIUED-LLVKDONJSA-N 308.386 -0.383 30 20 DBED C=C(C)CN1C[C@H](n2ccnn2)[C@H](NC(=O)CCCC(N)=O)C1 1129484800 IWBOXHXZKFLVRL-OLZOCXBDSA-N 320.397 -0.149 30 20 DBED CC(C)C#CC(=O)N1C[C@H](n2ccnn2)[C@H](N[C@H](C)C(N)=O)C1 1129822241 LYUOXZRBNVBIJN-UPJWGTAASA-N 318.381 -0.847 30 20 DBED C#CCNC(=O)CN1CC[C@@H](c2n[nH]cc2CNC(=O)CC)C1 1130340529 BWIBHYCYAFRPID-GFCCVEGCSA-N 317.393 -0.025 30 20 DBED CC(C)c1noc(CCC(=O)NCCNCC(=O)NCC#N)n1 1132141112 DTRPJVMEZGTOPA-UHFFFAOYSA-N 322.369 -0.529 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)c1c[nH]nc1C 1132149920 MFRUMTWBFIFRQM-JTQLQIEISA-N 322.369 -0.562 30 20 DBED C#CCN1C[C@H](NC(=O)COCc2nncn2C)CC[C@H]1C 1132392956 TWOQWKKGCGWDLA-CHWSQXEVSA-N 305.382 -0.066 30 20 DBED Cc1ncncc1C(=O)N[C@@H](C)C[C@@H](C)NCC(=O)NCC#N 1133813111 UZZJTOKVHAKERV-MNOVXSKESA-N 318.381 -0.089 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1ncn(C(C)(C)C)n1 1133815070 CCIQBLKQSHOAIE-UHFFFAOYSA-N 308.386 -0.345 30 20 DBED C#CCN[C@@H](C)C[C@H](C)NC(=O)c1nc(C)n(-c2nc[nH]n2)n1 1135139632 HXYKJDRNNCRMBH-UWVGGRQHSA-N 316.369 -0.186 30 20 DBED C#CCCN[C@@H](C)C[C@H](C)NC(=O)CCCS(N)(=O)=O 1135326181 TXGVSEZLMABKPO-RYUDHWBXSA-N 303.428 -0.049 30 20 DBED C=CCN[C@H](C)C[C@H](C)NC(=O)Cn1ncn2nccc2c1=O 1135614377 RWUMDOHUASQEML-NEPJUHHUSA-N 318.381 -0.050 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)C(C)(C)NC(C)=O 1135686375 HGPGGNNSEMSYQG-RYUDHWBXSA-N 324.425 -0.477 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cc2c(s1)CCOC2 1148274149 JFJNSPSIHXYNAX-UHFFFAOYSA-N 321.402 -0.110 30 20 DBED COCC#CCNCCNC(=O)[C@H]1CCc2nnc(C)n2C1 1152091688 STSXNTJKSSPMTP-ZDUSSCGKSA-N 305.382 -0.495 30 20 DBED CNC(=O)NC(=O)CNCCCNC(=O)c1c[nH]c(C#N)c1 1156841493 MVNBFRCAVITCRC-UHFFFAOYSA-N 306.326 -0.949 30 20 DBED C=CCCCNCCCNC(=O)Cn1ccc(=O)n(C)c1=O 1159323156 XCHDDXPTYFGQPY-UHFFFAOYSA-N 308.382 -0.391 30 20 DBED C=CCNC(=O)CNCCCNC(=O)COCc1cc(C)on1 1160724809 SYTCSDNRMBVLOU-UHFFFAOYSA-N 324.381 -0.102 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)NCCCNC[C@@H](O)COC 1167667262 HMPZVEHMDRJLDN-ZIAGYGMSSA-N 315.414 -0.440 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@H](CC(=C)C)NC(C)=O 1167678124 UCULSTFJWDFOHR-AWEZNQCLSA-N 322.409 -0.697 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)C(=O)N1CC[C@@H](C)C1 1170643301 QHLMXFMOBWLASZ-OLZOCXBDSA-N 322.409 -0.911 30 20 DBED C=CCCCNCCCNC(=O)CNC(=O)Cn1cncn1 1176902279 MCCZIXSWFDANJY-UHFFFAOYSA-N 308.386 -0.544 30 20 DBED N#CCNC(=O)CNCCCCCCNC(=O)Cc1ncc[nH]1 1179902609 OGKFQKJHFMIJOQ-UHFFFAOYSA-N 320.397 -0.142 30 20 DBED C=CCNC(=O)CNC[C@]1(C)CN(C(=O)CC(N)=O)C[C@H]1C 1180940040 NZIUDZRUKJWKSV-IAQYHMDHSA-N 310.398 -0.762 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)CN2CCCCC2=O)C1 1183903724 WEYPXHQYEIJMPK-CQSZACIVSA-N 307.394 -0.161 30 20 DBED CN(C)C(=O)CN1C[C@@H]2CCN(C(=O)CSCC#N)[C@@H]2C1 1186916939 BLQAOLAWKPSMQM-NWDGAFQWSA-N 310.423 -0.136 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)[C@@H](C)OCC#C)[C@@H]2C1 1187865283 NTXCJGGXBKNONS-QLFBSQMISA-N 317.389 -0.693 30 20 DBED CC#CCN[C@@H]1CCN(C(=O)CS(=O)(=O)NC(C)(C)C)C1 1187925036 KVVYGQQPGVLDGD-GFCCVEGCSA-N 315.439 -0.082 30 20 DBED CC[C@@H](C)OCC(=O)N1CC[C@@H](N(C)CC(=O)NCC#N)C1 1189718064 VQGFOMLRANCTQA-CHWSQXEVSA-N 310.398 -0.026 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)Cn2nccc2C)C1 1192586675 UACYYCFQWQOOBD-CQSZACIVSA-N 317.393 -0.526 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@H](NC(C)=O)C2CCCC2)C1 1194546334 WPVBBWLWRQVJRA-RBSFLKMASA-N 307.394 -0.524 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)CCC(F)F)C1 1194745492 JHIUFCFKLQBNKV-GMTAPVOTSA-N 317.336 -0.669 30 20 DBED CCNC(=O)NC(=O)[C@H](C)N1CCCN(C(=O)[C@@H](C)C#N)CC1 1195322358 YLMWXEYTFQBSHG-RYUDHWBXSA-N 323.397 -0.085 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)NC(=O)C2CCC2)C1 1199497394 BJFSYJMBOKVWFN-MRVWCRGKSA-N 307.394 -0.524 30 20 DBED CCCNC(=O)CNC[C@H]1CN(C(=O)[C@H](C)C#N)CCCO1 1200114614 GPMUCOYSOJSYLP-OLZOCXBDSA-N 310.398 -0.121 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)[C@@H]2CCN(C)C2)CC1 1203693238 UUPFWAWPCUWCHJ-CYBMUJFWSA-N 308.426 -0.179 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)C[C@](C)(O)C=C)C1 1207949191 AKICBXGLZFWMIM-XJKSGUPXSA-N 307.394 -0.357 30 20 DBED C=CCCN[C@@H]1CCCN(C(=O)Cn2cnc(C(N)=O)n2)C1 1208073305 HQZLQIZKFOWNPC-LLVKDONJSA-N 306.370 -0.466 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)Cn2nccc2C)C1 1209865251 FBGUFIXIUJXALN-AWEZNQCLSA-N 317.393 -0.478 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)C(C)(C)F)[C@H](OC)C1 1211759622 PSKGHINGVOJWMN-GHMZBOCLSA-N 301.362 -0.148 30 20 DBED C=CCCC(=O)N[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1OC 1212022312 LDFPZYVJUZJZPQ-VXGBXAGGSA-N 319.427 -0.683 30 20 DBED C=C[C@@](C)(CCOC)C(=O)N[C@@H]1CN(CC(N)=O)C[C@H]1OC 1213221578 JAYGWMOHJYAFJP-JMSVASOKSA-N 313.398 -0.484 30 20 DBED C=CCOCC(=O)N1CCO[C@@H]2CN(Cc3n[nH]c(C)n3)C[C@@H]21 1217538574 ZKJOEVIEFVRABD-QWHCGFSZSA-N 321.381 -0.273 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)/C=C/c2ccco2)C1 1219114717 YUWSHEHIDQTKMH-IHDARNGBSA-N 319.361 -0.244 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)/C=C(\C)C2CC2)C1 1219279443 QQBCTEYSPPBESV-GIYFRTQOSA-N 305.378 -0.747 30 20 DBED CC(C)CNC(=O)CN1C[C@H](O)[C@H](NC(=O)C#CC(C)(C)C)C1 1219597969 BGYLCLKAMOOSGN-KGLIPLIRSA-N 323.437 -0.031 30 20 DBED C=CCCCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCCS2(=O)=O)C1 1221017408 ZTMQIUQKCLXECA-FRRDWIJNSA-N 316.423 -0.309 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@H]2CCN(Cc3cnnn3C)C[C@H]21 1221539375 XMMZCKBUZPRQJX-GZBFAFLISA-N 317.393 -0.114 30 20 DBED N#CCNC(=O)CN1CC[C@@H]2CN(C(=O)[C@@H]3CC34CC4)[C@@H]2C1 1221831919 BVPBDFCOCJYWOP-FRRDWIJNSA-N 302.378 -0.041 30 20 DBED Cn1cncc1C(=O)NCC1CCN(CC(=O)NCC#N)CC1 1223736001 CTLBDJHPXVICOP-UHFFFAOYSA-N 318.381 -0.498 30 20 DBED C#CCCCCC(=O)NC1CCN(CC(=O)NC(N)=O)CC1 1226951919 NGXIYAPIQUNMEC-UHFFFAOYSA-N 308.382 -0.045 30 20 DBED C=CCNC(=O)CN1CC[C@H]1CN(C)C(=O)c1cc[n+]([O-])cc1 1230654686 SOCHTXPBBXRVEJ-AWEZNQCLSA-N 318.377 -0.232 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C[C@H]1CCN1CC(=O)NCC=C 1234214955 GHNFQCWSLDTTET-ZIAGYGMSSA-N 307.394 -0.140 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)[C@H](C1CC1)N(C)C 1235333280 CARVEVNSLLETPJ-ZBFHGGJFSA-N 320.437 -0.391 30 20 DBED C=CCN(C)C(=O)C(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 1258476303 TUDVTFZLAHQIMW-CQSZACIVSA-N 324.425 -0.847 30 20 DBED O=C(CCn1cccn1)NCCN/C(O)=C1\N=CC=CC1=O 1318434739 SLSKDWBCINEYGQ-BUHFOSPRSA-N 303.322 -0.084 30 20 DBED CNC(=O)C1(C(=O)N(C)CCCc2[nH]nc(N)c2C#N)CC1 1319821009 ULHBRFKWENVCNU-UHFFFAOYSA-N 304.354 -0.219 30 20 DBED O=C(CON=C1CCCOCC1)N[C@@H]1CCS(=O)(=O)C1 1319897681 CNLLVUHSYUDNHV-LLVKDONJSA-N 304.368 -0.137 30 20 DBED N#CCCCNC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 1320351431 FXWYDAHGCWSYBT-QWRGUYRKSA-N 313.379 -0.558 30 20 DBED C[C@H](OC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)NC1(C#N)CCC1 1321741208 KGNHYAUXBBUSKN-VHSXEESVSA-N 314.363 -0.085 30 20 DBED N#CCCNC(=O)CNc1ccc(CC(=O)NCCO)cc1 1322532510 SMYQBYKFSOICQN-UHFFFAOYSA-N 304.350 -0.221 30 20 DBED N#CCOc1ccc(NC(=O)C(=O)N2C[C@H](O)[C@H](O)C2)cc1 1324369150 HCLCASJYZUJGCE-TXEJJXNPSA-N 305.290 -0.909 30 20 DBED COCC[C@@H](NC(=O)C(=O)Nc1cccc(C#N)c1C)C(N)=O 1324382379 FFQAWTBVLSGPAU-GFCCVEGCSA-N 318.333 -0.188 30 20 DBED N#CCCNC(=O)CNc1ccc(C(=O)NCCC(N)=O)cc1 1327779372 ZVDOQUVDDPOBRI-UHFFFAOYSA-N 317.349 -0.266 30 20 DBED CCCCN(C)CCNC(=O)C(=O)N1CC[C@](O)(CC#N)C1 1328273478 TVYBEAFHBYTMFX-OAHLLOKOSA-N 310.398 -0.288 30 20 DBED Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)NCC1(CC#N)CC1 1328369340 PTQQZWRTYFPYIQ-UHFFFAOYSA-N 324.362 -0.335 30 20 DBED C=CCN(C(=O)C(=O)NCC1(CC(N)=O)CC1)[C@@H](C)COC 1328523609 CHMKHPKLTJEYAY-NSHDSACASA-N 311.382 -0.192 30 20 DBED Cn1cc([C@H]2C[S@](=O)CCN2CC(=O)NCCC#N)cn1 1328770486 HPWCHAPWSSIQCN-XUSGNXJCSA-N 309.395 -0.445 30 20 DBED C=CCNC(=O)NC(=O)CN1CC[C@@H](CS(C)(=O)=O)C1 1330202688 OKAWEYZCKHOSHH-SNVBAGLBSA-N 303.384 -0.635 30 20 DBED CCCNC(=O)[C@@H](C)NC(=O)C(=O)Nc1ccn(CCC#N)n1 1337484322 UAFIDFFJNQFDKD-SNVBAGLBSA-N 320.353 -0.234 30 20 DBED C=CCn1c(N(C)C[C@@H]2COCCO2)nnc1[C@]1(O)CCOC1 1339245800 IKXJMCCAVOMUNL-DOMZBBRYSA-N 324.381 -0.076 30 20 DBED C=CCCOCCNC(=O)C(=O)NC[C@@H]1CCS(=O)(=O)C1 1340612163 OXQKXGYSZFHTOD-NSHDSACASA-N 318.395 -0.754 30 20 DBED N#C[C@@]1(F)CCN(C(=O)C(=O)NCc2nnnn2CC2CC2)C1 1343366959 NLLLGVOKZBJDLY-ZDUSSCGKSA-N 321.316 -0.837 30 20 DBED C=C(C)COCCNC(=O)C(=O)NCC1([S@@](C)=O)CC1 1343450079 CIJXEFNPPJNXDY-HXUWFJFHSA-N 302.396 -0.277 30 20 DBED C#CCSCCNC(=O)C(=O)NCC1(S(C)(=O)=O)CC1 1346609755 HHLGDNTZTAGHOI-UHFFFAOYSA-N 318.420 -0.838 30 20 DBED C=CCOCCNC(=O)C(=O)N1CCO[C@H]([C@@H]2CCCO2)C1 1350029742 SGRXTMXKAVKSBK-STQMWFEESA-N 312.366 -0.288 30 20 DBED C=CCn1c(CCOC)nnc1N1CC[C@@H]2OCC(=O)N[C@H]2C1 1351617090 WITLLUVZZHREOM-RYUDHWBXSA-N 321.381 -0.253 30 20 DBED N#Cc1sc(NC(=O)Cn2cnc(C(N)=O)n2)nc1Cl 1361651360 TXADEJRUJLPCEW-UHFFFAOYSA-N 311.714 -0.003 30 20 DBED CC(C)OC[C@@H](CO)N(C)C(=O)Cn1cc(C#N)c(O)nc1=O 1362508753 RKAWCGKSWMCBOS-LLVKDONJSA-N 324.337 -0.935 30 20 DBED CCn1ccnc1[C@@H](C)NC(=O)Cn1cc(C#N)c(O)nc1=O 1362661471 SCWULSUHQRRQGN-SECBINFHSA-N 316.321 -0.086 30 20 DBED N#Cc1ncn(CC(=O)N2CCC3(CCC3)S(=O)(=O)CC2)n1 1363348897 QVTNTDVTQGJAPG-UHFFFAOYSA-N 323.378 -0.280 30 20 DBED C[C@H](CNC(=O)c1cc(C#N)c[nH]1)CNC(=O)c1cnnn1C 1375663678 NHQBLNHEBZREPU-SECBINFHSA-N 315.337 -0.189 30 20 DBED N#Cc1ccc(C(=O)NC[C@H](O)CNC(=O)[C@H]2CCCCO2)[nH]1 1392058912 BBBPTZGAKGXEKC-WCQYABFASA-N 320.349 -0.338 30 20 DBED COc1ccc(CN2CC(O)(CNC(=O)[C@@H](C)C#N)C2)nn1 1393300301 FPHZWGJMKCODOY-JTQLQIEISA-N 305.338 -0.692 30 20 DBED C[C@H](CNC(=O)c1ccc(C(N)=O)nc1)NC(=O)[C@H](C)C#N 1408220954 CHWDXOJYWQUOBY-RKDXNWHRSA-N 303.322 -0.425 30 20 DBED COC(=O)CNC(=O)[C@H](C)N1CCC(C#N)(C(=O)OC)CC1 1414007274 SLRYSQCPFVFPEG-JTQLQIEISA-N 311.338 -0.557 30 20 DBED C[C@@H](CNC(=O)[C@H](C)C#N)NC(=O)C1CCS(=O)(=O)CC1 1416950218 DTEADXDMTVSFFS-ZJUUUORDSA-N 315.395 -0.408 30 20 DBED C[C@@H]1CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)C[C@@H]1O 1417699725 MVRLPYJTEOHDRS-KOLCDFICSA-N 306.322 -0.560 30 20 DBED C=C(Cl)CN1CC[C@@H]1CNC(=O)CN1CCNC(=O)C1 1420844946 FQNDGRFYZMHMHF-LLVKDONJSA-N 300.790 -0.639 30 20 DBED COC[C@@H](O)CN1CCOC[C@@H]1CNC(=O)c1cc(C#N)c[nH]1 1421682082 LNSWSVZKHIOTDD-STQMWFEESA-N 322.365 -0.676 30 20 DBED COCCN(CCNC(=O)[C@@H](C)C#N)C(=O)c1ccc(O)nn1 1428425245 QPCBDPXJWPNQMM-JTQLQIEISA-N 321.337 -0.453 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CN(C)C(=O)CCc1ncccn1 1444721414 ZDFIRVMADFGHAT-NWDGAFQWSA-N 319.365 -0.496 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)[C@@H]2CCC(=O)N2)CCCC1 1451205800 MINGMSOIMFCDJR-MNOVXSKESA-N 306.366 -0.030 30 20 DBED C[C@@H](CNC(=O)CCS(C)(=O)=O)CNC(=O)[C@@H](C)C#N 1451597969 IZWFRGWUCFDIBG-UWVGGRQHSA-N 303.384 -0.551 30 20 DBED COCCN(CCNC(=O)[C@@H]1CCC(=O)N1)C(=O)[C@H](C)C#N 1488541009 OKKQLVQJJYIGBF-MNOVXSKESA-N 310.354 -0.984 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CCN(C(=O)c2ccn(C)c(=O)c2)C1 1493362860 QYGDESFUSGBRMO-JQWIXIFHSA-N 302.334 -0.124 30 20 DBED C#CCN1CCN(c2nnc(-c3noc(COC)n3)n2C)CC1 1519320192 SOXRQGURTOQELI-UHFFFAOYSA-N 317.353 -0.233 30 20 DBED N#Cc1cccc2c1CCN2C(=O)Cn1cnc(-c2nn[nH]n2)n1 1570922302 ICNRQFRCCWNKIH-UHFFFAOYSA-N 321.304 -0.081 30 20 DBED C[C@]1(C(=O)N2CCN(c3ncccc3C#N)CC2)C[C@H](O)CN1 1573597495 RMPIDBVCDHISHK-XJKSGUPXSA-N 315.377 -0.285 30 20 DBED Cc1c(C#N)c(=O)n(CC(=O)N(C)CC(=O)O)c(=O)n1C1CC1 1574111815 AVSSNNSXBCBKTC-UHFFFAOYSA-N 320.305 -0.932 30 20 DBED C#CCNS(=O)(=O)c1ccc(C(=O)NCC2(N)CC2)cc1 1574735311 FBHDQAGIEKPAOJ-UHFFFAOYSA-N 307.375 -0.181 30 20 DBED C[C@H](CN(C)C(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1)C(=O)O 1589021173 YGEHGIJPCFMHOU-PWSUYJOCSA-N 322.365 -0.636 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](C)Nc1cnc(-c2nn[nH]n2)cn1 1589849450 FOCWANFYMUXGJZ-JGVFFNPUSA-N 301.314 -0.267 30 20 DBED N#Cc1cccc(-c2nn[nH]n2)c1N1C[C@@H](CO)[C@@H](CO)C1 1592698457 BLEJYHPYHDNDKS-PHIMTYICSA-N 300.322 -0.225 30 20 DBED CN(CCNC(=O)CNC(=O)c1ccc(C#N)cc1)CC(=O)O 1598490501 LHYYWSNYDWXOSO-UHFFFAOYSA-N 318.333 -0.579 30 20 DBED C#CCn1ccc(CN(CCOC)C(=O)[C@@H](OC)C(=O)O)n1 1602704337 DURVJOPNBFRGME-GFCCVEGCSA-N 309.322 -0.409 30 20 DBED N#CC1(C(=O)O)CCN(C(=O)NCCNC(=O)C2CC2)CC1 1608171224 HPLKXKVGRBNRKF-UHFFFAOYSA-N 308.338 -0.087 30 20 DBED N#Cc1c(-c2nn[nH]n2)nc(N)n1Cc1cccc(C(N)=O)c1 1609496940 OOLIBUWUKHXBEX-UHFFFAOYSA-N 309.293 -0.336 30 20 DBED COC(=O)C1CCN(C(=O)NCCn2cnc(C#N)n2)CC1 1649808204 OGWXKWONPIALNA-UHFFFAOYSA-N 306.326 -0.256 30 20 DBED Cn1ncc(C#N)c1N1CCC(n2cc(C(N)=O)nn2)CC1 1649975593 WBGHBXOQCGAPAQ-UHFFFAOYSA-N 300.326 -0.176 30 20 DBED C[C@@H](CCNC(=O)[C@@]1(C)CCC(=O)NC1)NCC(=O)NCC#N 1700326217 NSNTXVVODNMDJV-NHYWBVRUSA-N 323.397 -0.973 30 20 DBED C=CCOCC(=O)NCCCN1CCN([C@@H]2CCNC2=O)CC1 1752339028 FSDRHFQENROKRF-CQSZACIVSA-N 324.425 -0.799 30 20 DBED CCCNC(=O)NC(=O)CN[C@H](C)CNC(=O)C#CC(C)C 1752869871 ORZIRCREPBKFSA-GFCCVEGCSA-N 310.398 -0.024 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(CC)c1 1753418654 LAHOHTQMXRQJNF-KBPBESRZSA-N 315.377 -0.449 30 20 DBED CC#CCN1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)NS(C)(=O)=O 1753424720 AZLANTATBHPYRY-RYUDHWBXSA-N 313.423 -0.377 30 20 DBED CS(=O)(=O)CC(=O)NC[C@H](O)CNCC#Cc1ccccc1 1753907478 QFWZYBXYJCGIJN-CQSZACIVSA-N 324.402 -0.851 30 20 DBED C=CCNC(=O)CN1CC[C@H]1CNC(=O)c1ccc(C(N)=O)o1 1754489295 UTYMVLMCSYPMJQ-JTQLQIEISA-N 320.349 -0.515 30 20 DBED C=CCOCC(=O)NC[C@]1(O)CCN(Cc2csnn2)C1 1754746477 TXZKQUUTPBYSIS-CYBMUJFWSA-N 312.395 -0.206 30 20 DBED C#CCOCCC(=O)NC[C@]1(O)CCN(Cc2nc(C)no2)C1 1754750930 BHAXOWCMKMKNFW-OAHLLOKOSA-N 322.365 -0.529 30 20 DBED C=CCCN1CC[C@](O)(CNC(=O)c2cccc(C(N)=O)n2)C1 1754762003 HNHHNFHZYDNGGM-INIZCTEOSA-N 318.377 -0.077 30 20 DBED CO[C@H](C)CC(=O)N1C[C@@H]2CN(CC(=O)NCC#N)C[C@@H]2C1 1754839842 GVKYEUHAXYTIMB-UPJWGTAASA-N 308.382 -0.559 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](CNC(=O)Cc3ccc[nH]3)[C@H]2C1 1755435763 KYPRWDNTASISFL-QKDCVEJESA-N 314.389 -0.399 30 20 DBED C=C(C)CNCCC[C@H](C)NC(=O)Cn1ccc(=O)n(C)c1=O 1755501582 CAKHEZLSWRAGNW-ZDUSSCGKSA-N 322.409 -0.002 30 20 DBED C[C@H](CCCNCC(=O)NCC#N)NC(=O)[C@@H]1CCCNC1=O 1755502844 XRAZZUZOOFFGST-VXGBXAGGSA-N 323.397 -0.973 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H](CO)CNC(=O)c1ncoc1CC 1755626269 CIGVAWMKRVQKRK-GHMZBOCLSA-N 322.365 -0.945 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@@H](C)N(C(=O)c2coc(OC)n2)C1 1755682916 ANZHDWBFDFHZOJ-MNOVXSKESA-N 320.349 -0.375 30 20 DBED CC(C)(C(N)=O)C(=O)N[C@@H]1CC[C@H](CNCC(=O)NCC#N)C1 1755736574 XYIYLUQQHOQZDH-WDEREUQCSA-N 323.397 -0.988 30 20 DBED C#CCCCC(=O)N1C[C@H]2[C@H](CNC(=O)[C@@H]3CCC(=O)N3)[C@H]2C1 1756214399 BYQZISOHSORFIH-FQUUOJAGSA-N 317.389 -0.111 30 20 DBED Cc1cnn(C)c1C(=O)NC[C@@H](O)CN(C)C(=O)C#CC(C)C 1756663754 XWQJTCKPAQEVLY-CYBMUJFWSA-N 320.393 -0.063 30 20 DBED C#CCOCCC(=O)N(C)C1CC(NC(=O)[C@H]2CCC(=O)N2)C1 1756741069 FLPGIZIHVBCAHQ-WXRRBKDZSA-N 321.377 -0.590 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cnc[nH]1 1796334083 LMFCNSHKYGEUMM-QHBPRCKVSA-N 302.334 -0.825 30 20 DBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@@H]3F)C2)C1 1839806170 DXAFZHYHWVPXPJ-TYNCELHUSA-N 310.325 -0.566 30 20 DBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccco3)C2)C1 1839807221 PUCKMTMGTLHSOY-INIZCTEOSA-N 318.329 -0.017 30 20 DBED C=CCN(CC=C)C(=O)CN1CCN(CC(=O)N(C)C)CC1 61800024 ZDYRORNUJYNAKR-UHFFFAOYSA-N 308.426 -0.107 30 20 DBED CS(=O)(=O)N1CC[C@H](C/N=C(\N)N2CCSCC2)C1 133832040 BOPMTFGZUMADEB-SNVBAGLBSA-N 306.457 -0.369 30 20 DBED C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](O)C2)cc1 177362468 YGVWURZXHBPUKZ-LBPRGKRZSA-N 308.359 -0.195 30 20 DBED N#C[C@@H]1COCCN1S(=O)(=O)c1ccc(-n2cnnn2)cc1 266252142 XTIRWVFIPWRMKN-LLVKDONJSA-N 320.334 -0.425 30 20 DBED CCCNC(=O)CN(CCC)c1c(C#N)c(=O)n(C)c(=O)n1C 267105368 XMSYUOIVAHDQII-UHFFFAOYSA-N 321.381 -0.302 30 20 DBED COCCO[C@H]1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)C1 275853176 SDBPTKPWHMLROL-JTQLQIEISA-N 308.338 -0.803 30 20 DBED C#C[C@@H](C)NC(=O)C(=O)N1C[C@@H](C(=O)NC)Oc2ccccc21 275932254 IMNVVICIPIVLNT-MFKMUULPSA-N 315.329 -0.336 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)c2noc(C)n2)C1=O 277177772 ZFZXUQGOMRADAJ-SSDOTTSWSA-N 322.277 -0.041 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)c2noc(C)n2)C1=O 277177775 ZFZXUQGOMRADAJ-ZETCQYMHSA-N 322.277 -0.041 30 20 DBED C=CCCOCCNC(=O)C(=O)NCC(C)(C)C(=O)NCC 289378026 KEEDIXRHMLHYRW-UHFFFAOYSA-N 313.398 -0.026 30 20 DBED N/C(=N\C[C@@H]1CCCS1(=O)=O)NCCCN1CCOCC1 305081454 QVPDUWFWOXDHMO-LBPRGKRZSA-N 318.443 -0.810 30 20 DBED COc1nccc(N/C(O)=N/C2CCS(=O)(=O)CC2)n1 328763163 ZUZYRNSVPOJYQN-UHFFFAOYSA-N 300.340 0.388 30 20 DBED CN1C[C@@H](N/C(O)=N/CCN2CCCS2(=O)=O)CCC1=O 329406963 CXGGYDHGUTVDPO-JTQLQIEISA-N 318.399 -0.854 30 20 DBED CN1C[C@H](N/C(O)=N/C[C@@H]2CCCCS2(=O)=O)CC1=O 329659243 NZVDEHVVWGXOCH-ZJUUUORDSA-N 303.384 -0.312 30 20 DBED CO[C@]1(/C(O)=N/C[C@@](C)(O)CN2CCOCC2)CCOC1 330016125 PBONXJZDEMCBMH-ZIAGYGMSSA-N 302.371 -0.168 30 20 DBED COC(=O)CN(CC#N)C(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 331427051 QZPBSOOSYCKJSR-TVQRCGJNSA-N 311.363 -0.034 30 20 DBED Cn1ncc2c(=O)n(CC(=O)N[C@H]3CCC[C@H]3C#N)cnc21 332201496 VXPGFNKATPPFHG-ONGXEEELSA-N 300.322 -0.062 30 20 DBED COCCN(CCC#N)S(=O)(=O)NCC1(O)CCOCC1 336933607 DHOLXMLEPLTZCO-UHFFFAOYSA-N 321.399 -0.776 30 20 DBED CCn1cc(S(=O)(=O)N2CCOC[C@H]2C#N)c([N+](=O)[O-])n1 339042363 RUZWDAOHSUUHAY-MRVPVSSYSA-N 315.311 -0.276 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1CCC[C@H](O)CC1 339142639 AZUGKXJENLBENA-LBPRGKRZSA-N 305.400 -0.060 30 20 DBED CC#CCN(C)C(=O)Cn1ccc2c(=O)n(C)c(=O)n(C)c21 341047045 NWXFRVTUXMOYSZ-UHFFFAOYSA-N 302.334 -0.480 30 20 DBED CC(C)n1cc(C#N)c(NC(=O)C(=O)N[C@@H]2CCO[C@H]2C)n1 341546277 HELWHURAXIQWDM-GXSJLCMTSA-N 305.338 0.568 30 20 DBED C[C@@H](O)C(=O)N1CCN([C@H](C)C(=O)NC2(C#N)CCC2)CC1 346548301 ARISXNWOOPXGHG-VXGBXAGGSA-N 308.382 -0.538 30 20 DBED COC(=O)CN(CC#N)C(=O)c1cnc2c(c1)NC(=O)CO2 356024555 ZBZHUWLXROGCSA-UHFFFAOYSA-N 304.262 -0.449 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@H](C)[C@@H](O)C2)C1=O 357884928 ZOJMNTANAYSXKM-UWVGGRQHSA-N 309.322 -0.808 30 20 DBED C=CC[C@H](NC(=O)N[C@@H]1CCN(S(C)(=O)=O)C1)C(=O)O 400176123 DNMCJPNSVFNEKR-BDAKNGLRSA-N 305.356 -0.651 30 20 DBED CNC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N 471689546 RQOJYHSJSZAKRO-UHFFFAOYSA-N 312.307 -0.167 30 20 DBED C#CCN1CCN(C(=O)CN[C@H](C(=O)OC)[C@@H](C)CC)CC1 490948013 CIXHEBDCEDHZSF-ZFWWWQNUSA-N 309.410 -0.059 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2c(C)nn(C)c2C)CC1 491617012 BFARCMABTARJGD-UHFFFAOYSA-N 317.393 -0.456 30 20 DBED CN(C)[C@H]1CN(CC(=O)NCc2ccc(C#N)cc2)C[C@@H]1O 571860978 MLSKQWQOBHXVCL-GJZGRUSLSA-N 302.378 -0.219 30 20 DBED COc1ccccc1[C@H](CO)NC(=O)NCC(=O)NCC#N 580669616 MXLMWUYHQSSMBO-NSHDSACASA-N 306.322 -0.332 30 20 DBED C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CC[C@](O)(CC#N)C1 592152442 XUVPIEFYYSQJSI-TYNCELHUSA-N 308.382 -0.551 30 20 DBED CN(C)CCCN(CCC#N)C(=O)C1=NN2CCCN=C2N1 596926439 QIGQCIQBIIURQA-UHFFFAOYSA-N 305.386 -0.341 30 20 DBED CN(C)S(=O)(=O)N(C)CC(=O)N1CCC[C@H](CC#N)C1 597902514 DKZMTFXBULRGAI-LLVKDONJSA-N 302.400 -0.123 30 20 DBED CN1C[C@H](N(C)S(=O)(=O)N2CCO[C@@H](C#N)C2)CCC1=O 601457803 DECKFDDOIWBYRW-MNOVXSKESA-N 316.383 -0.992 30 20 DBED C=CC[C@]1(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)OC)CCCN1 602587109 FILUPGAFJINPEO-ZIBATOQPSA-N 311.382 -0.133 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@H](N)[C@H](CC)C2)C1=O 648125739 UFOFNSUUYMYZCY-MNOVXSKESA-N 322.365 -0.451 30 20 DBED C=C[C@H](CO)N[C@@H](C)C(=O)N(CCC)[C@@H]1CCS(=O)(=O)C1 662166051 YWXCVRGPWBDUNA-YNEHKIRRSA-N 318.439 -0.063 30 20 DBED NC(=O)CNC(=S)NN=Cc1cnc(N2CCCC2)nc1 731930198 UMAPBNVYQPZMAU-UHFFFAOYSA-N 307.383 -0.640 30 20 DBED C#C[C@H](CC)OC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 768054719 DPRXELQTDAQFKD-SECBINFHSA-N 304.306 -0.611 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)[C@@H](C)N1CCSCC1 774984262 VTDQOSQRQGXGOA-SNVBAGLBSA-N 315.395 -0.021 30 20 DBED CNC(=O)[C@@H]1CN(C(=O)COc2cccc(C#N)c2)CCO1 782043335 ZSKCYFXDTGKMER-ZDUSSCGKSA-N 303.318 -0.090 30 20 DBED C#CCONC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 812782829 KPTSKEVFQCJBCE-UHFFFAOYSA-N 314.319 -0.405 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)c2cccc(C)n2)CC1 831556082 GKHSXDPITYQRKK-UHFFFAOYSA-N 322.390 -0.385 30 20 DBED C/N=C(/NCCCNC(=O)C(C)C)NCCN1CCOCC1 848992423 ZEMPKJOYEKWVNU-UHFFFAOYSA-N 313.446 -0.354 30 20 DBED C=CCCONC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 856031812 CJFZNEXYQPVLRR-UHFFFAOYSA-N 316.339 -0.984 30 20 DBED C=CCC1(O)CCN(Cn2nnc3c(cnn3C)c2=O)CC1 884478721 JQBLGSHPVBGHAL-UHFFFAOYSA-N 304.354 -0.115 30 20 DBED C#CC1(O)CN(S(=O)(=O)c2cc(C(=O)OCC)n(C)c2)C1 908228900 USQPUUUCEILODR-UHFFFAOYSA-N 312.347 -0.430 30 20 DBED CCCNC(=O)CN1CCC(NC(=O)NCC#CCO)CC1 923785591 HWVVJVJWKSPZFX-UHFFFAOYSA-N 310.398 -0.728 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)Cn3cncn3)C2)[nH]1 936146181 CANOADSQCNYDPD-LLVKDONJSA-N 313.321 -0.491 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)[nH]1 938832643 LMQGQMDXQSKSHM-AXFHLTTASA-N 315.333 -0.662 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](N(C)C(=O)CN2CCCNC2=O)C1 939395535 FCZPSGJXICUHGI-RYUDHWBXSA-N 321.381 -0.379 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)[C@@H]3CCC(=O)N3)C2)[nH]1 940063076 XPZNXWWWWTVZHF-PWSUYJOCSA-N 315.333 -0.504 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](NC(=O)c2cccn(C)c2=O)C1 941873553 WCUKTTOPQGEISA-WDEREUQCSA-N 302.334 -0.124 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H]1CNC(=O)c1cc(=O)n(C)cn1 944253119 LPDODCRUUVIRRQ-WDEREUQCSA-N 317.349 -0.339 30 20 DBED Cc1ccnc(C(=O)NC[C@H]2CN(C(=O)[C@@H](C)C#N)CCO2)n1 944567577 GZOIMVHQYVVZDZ-JQWIXIFHSA-N 317.349 -0.098 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2CCC[C@@H]2NC(=O)C(N)=O)nc1 946291464 KBGPGHZANGVXNH-RYUDHWBXSA-N 314.345 -0.437 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NC1CCN(C(=O)C(N)=O)CC1 948084042 JOZXRIKYDJFLRR-NEPJUHHUSA-N 309.366 -0.440 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H]2CCN2C(=O)[C@@H]2COC(=O)N2)c1 949283519 PMIKHSAROHIGKW-KOLCDFICSA-N 317.305 -0.675 30 20 DBED C[C@H](NC(=O)c1cc(C#N)c[nH]1)[C@H]1CCCCN1C(=O)C(N)=O 953649704 SFARWKCVXONSSU-JOYOIKCWSA-N 317.349 -0.129 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2cn(CCOC)nc2C)C1 958064108 RVGDBIDCSDCBAA-HIFRSBDPSA-N 320.393 -0.506 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2nc(C)c(C)nc2O)C1 958179498 NVLJUFOCJOSDMJ-NEPJUHHUSA-N 304.350 -0.545 30 20 DBED CC#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cn(C)ccc2=O)C1 958249119 RWYODMQYFNIOEJ-SWLSCSKDSA-N 303.362 -0.569 30 20 DBED C=CCN1C[C@@H](O)[C@H](CNC(=O)C2CCN(C(C)=O)CC2)C1 958657270 GKHHTZHFKHDWHE-HUUCEWRRSA-N 309.410 -0.160 30 20 DBED Cc1nonc1CC(=O)N(C)[C@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1O 958947140 LFJCMFYYIPMVNU-UWJYBYFXSA-N 321.337 -0.890 30 20 DBED C#CCN1CCC(C(=O)NC[C@H]2COCCN2C(C)=O)CC1 964234248 YSVFBVKSEUOAHR-HNNXBMFYSA-N 307.394 -0.305 30 20 DBED C[C@H](C#N)C(=O)N1CCOC2(CN(C(=O)c3ncccn3)C2)C1 965472320 KSXOAGHCJFCVOE-LLVKDONJSA-N 315.333 -0.310 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C2CN(C(=O)C(F)F)C2)CC1 967242819 CZSXADSLOJQYSO-VIFPVBQESA-N 300.309 -0.234 30 20 DBED C[C@H](NC(=O)c1c[nH]c(C#N)c1)C1CN(Cc2nnnn2C)C1 969526128 JUIXGTIQJQCIAI-VIFPVBQESA-N 314.353 -0.340 30 20 DBED COc1cccc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)n1 970266533 ADSYARVMLOZBPP-WCQGTBRESA-N 318.333 -0.449 30 20 DBED CN(C[C@@H]1CCN1C(=O)C#CC1CC1)C(=O)[C@H]1CCC(=O)N1 977465912 KNOKKSDTNSODSE-QWHCGFSZSA-N 303.362 -0.262 30 20 DBED N#CCN1C[C@@H]2CC[C@@H](NC(=O)CN3CC(=O)NC3=O)C[C@H]2C1 980192676 JEPSTPCXPSPVAY-SDDRHHMPSA-N 319.365 -0.722 30 20 DBED CC1(C)C(=O)NC(=O)N1CC(=O)N[C@H]1CCC[C@@H](NCC#N)C1 981439487 DRUVYATZJFIMCC-MNOVXSKESA-N 321.381 -0.143 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2nc[nH]n2)C1 983113599 HOMUXRZJKSQDRB-UTUOFQBUSA-N 319.365 -0.026 30 20 DBED C=CCn1cc(C(=O)N2CC(NC(=O)c3ncc[nH]3)C2)nn1 991241919 VVHDJTQIGHFYLJ-UHFFFAOYSA-N 301.310 -0.558 30 20 DBED C#CCN1CC[C@]2(NC(=O)C3CC(=O)NC(=O)C3)CCC[C@@H]12 992319336 APFCTBQKOCEGLM-MLGOLLRUSA-N 303.362 -0.214 30 20 DBED CC#CCN1CCC[C@H](NC(=O)CN2CCOCC2=O)[C@H]1C 993420911 KRDIRRDDUOTJBO-KGLIPLIRSA-N 307.394 -0.162 30 20 DBED C[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1CNC(=O)c1cnn(C)c1N 993918379 GJNNKSGJAZDOGT-GMTAPVOTSA-N 318.381 -0.014 30 20 DBED CC#CCN1CCC(CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 1001834108 OOKUTRZBQMDQRL-UONOGXRCSA-N 307.394 -0.129 30 20 DBED C#CCN1CCC(C(=O)NC2CCN([C@H](C)C(N)=O)CC2)CC1 1004200977 HGMDWCATXDUXEE-CYBMUJFWSA-N 320.437 -0.214 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2C(CNC(=O)c3ccc(O)nn3)[C@H]2C1 1008760236 OGJMJUVIHTZPIC-FBIMIBRVSA-N 315.333 -0.224 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H]2[C@H](CNC(=O)c3nnn(C)n3)[C@H]2C1 1009388925 BSHHNDHSPRXULJ-RTCCRHLQSA-N 318.381 -0.144 30 20 DBED N#Cc1cc(C(=O)N[C@H]2CCN(CC(=O)N3CCC3)C2)c[nH]1 1010670500 QHLSUASKNXCBEL-LBPRGKRZSA-N 301.350 -0.077 30 20 DBED C[C@H](C#N)C(=O)N1CCCC2(C1)CN(C(=O)C1(C(N)=O)CC1)C2 1010819848 FCNWJJARKPRVPP-LLVKDONJSA-N 318.377 -0.137 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCCN(C(=O)C3(C(N)=O)CC3)C2)C1 1010829813 JUKFOFHAJRHZAB-NSHDSACASA-N 318.377 -0.137 30 20 DBED Cc1ccn(CC(=O)NC2[C@@H]3CN(C(=O)[C@H](C)C#N)C[C@@H]23)n1 1013807555 WVEFSZQDRPHQJQ-YUSALJHKSA-N 301.350 -0.076 30 20 DBED N#Cc1cc(C(=O)N[C@H]2C[C@@H](NCc3nc(O)n[nH]3)C2)c[nH]1 1021984175 OSQVXQZCKWSRJY-DTORHVGOSA-N 301.310 -0.239 30 20 DBED N#CCN1CCCC[C@H]1CNC(=O)C1CC2(C1)NC(=O)NC2=O 1024701896 WBRFSOHPOWXJRO-VTWZXRTESA-N 319.365 -0.531 30 20 DBED C#CCCN1C[C@H]2[C@H](NC(=O)C3CC4(C3)NC(=O)NC4=O)[C@H]2C1 1026102743 ATLLRJQEQYZRJV-LABFESNASA-N 316.361 -0.956 30 20 DBED N#CCN1CC[C@H](CNC(=O)c2ccc(-n3cnnn3)cn2)C1 1028715077 ZNFVZFILXBGDIH-LLVKDONJSA-N 312.337 -0.367 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCCN([C@H]2CCNC2=O)C1 1030024750 WLJLYESIILTJJS-ILXRZTDVSA-N 318.421 -0.447 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 1033510579 URMPLMTXWJIJAV-LLVKDONJSA-N 316.365 -0.210 30 20 DBED C=CCN1CC[C@@H](N[C@H]2CC[C@H](NC(=O)C(N)=O)CC2)C1=O 1034721766 WAODQWOPJCYWQE-IJLUTSLNSA-N 308.382 -0.724 30 20 DBED C=CCN1CCO[C@@H](CNC(=O)[C@H]2CCc3nnn(C)c3C2)C1 1035490883 LVKXYTDRCBNTBU-STQMWFEESA-N 319.409 -0.077 30 20 DBED C=CCN1CC[C@H]2CN(C(=O)CN3CCN(C)C(=O)C3)CC[C@@H]21 1036752684 DCMKYPBSULTOBX-GJZGRUSLSA-N 320.437 -0.131 30 20 DBED C=CCCN1CC[C@@H]2CN(C(=O)CN3CCNC(=O)C3)CC[C@@H]21 1036792303 NJXJGYVUCRKZBU-CABCVRRESA-N 320.437 -0.083 30 20 DBED C=CCCN1CC[C@@H]2CN(C(=O)CN3CCNC(=O)C3)CC[C@H]21 1036792305 NJXJGYVUCRKZBU-HUUCEWRRSA-N 320.437 -0.083 30 20 DBED C=CCCN1C[C@H]2C[C@H]1[C@H]2NC(=O)Cn1ccc(=O)n(C)c1=O 1037425514 MMQBBVXOSDAESR-XUJVJEKNSA-N 318.377 -0.688 30 20 DBED CC[C@H]1CN(C(=O)CN2CCN(C)C(=O)C2)CC[C@H]1NCC#N 1037868778 JTBBSBBCYOKZAE-UONOGXRCSA-N 321.425 -0.499 30 20 DBED Cc1c[nH]c(C(=O)NC[C@]2(O)CCN(C(=O)[C@H](C)C#N)C2)n1 1039832937 UWBOOQSVJJACAN-YMTOWFKASA-N 305.338 -0.429 30 20 DBED C#CCN1CCC[C@]2(CCN(C(=O)CN3CCOCC3=O)C2)C1 1040242020 CPUQBUBXSANPHT-KRWDZBQOSA-N 319.405 -0.207 30 20 DBED C=CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)c2cccn2C)C1 1041508415 HYBSHRZCNBBSFY-GFCCVEGCSA-N 321.377 -0.081 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)Cc2ccoc2)C1 1042737744 AIJKREOUEHDCDL-GFCCVEGCSA-N 320.345 -0.450 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)CCCC#CC)C1 1043040464 SFYMYFMCVGIGLR-UHFFFAOYSA-N 320.389 -0.091 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)[C@@H](F)C(C)C)C1 1043043695 OJZZOMWIXDQXNN-RYUDHWBXSA-N 314.357 -0.292 30 20 DBED N#Cc1cccnc1N1C[C@H](O)[C@H](NC(=O)[C@H]2COCCO2)C1 1043861052 JFTQUUBCEAEMIQ-FRRDWIJNSA-N 318.333 -0.966 30 20 DBED Cc1nn(C)c(F)c1C(=O)NCC1(O)CN(C(=O)[C@H](C)C#N)C1 1044695184 VOUUOBUROWUKGJ-MRVPVSSYSA-N 323.328 -0.670 30 20 DBED C=CCCCC(=O)NCC1(O)CN(C(=O)[C@]2(C)CNC(=O)C2)C1 1045462237 BYQDEIZRERQDLO-HNNXBMFYSA-N 323.393 -0.442 30 20 DBED C=CCOCC(=O)N(C)[C@H]1CN(C(=O)COCC)C[C@@H]1O 1048551586 LQBHDRWJAXNVBV-RYUDHWBXSA-N 300.355 -0.744 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC(=O)N(C)C2)C1 1048962212 BCHJPKZXQCBBFG-AVGNSLFASA-N 323.393 -0.539 30 20 DBED C[C@@H]1[C@@H](NC(=O)Cn2cncn2)CCN1c1ccnc(C#N)n1 1050288435 OTKQMCXUVMPEOA-MNOVXSKESA-N 312.337 -0.277 30 20 DBED Cn1nnc2ccc(C(=O)NC[C@H]3COCCN3CC#N)cc21 1051226804 JBOFVUFXLGUCQA-LBPRGKRZSA-N 314.349 -0.078 30 20 DBED C#CCN1CC2(C1)CN(C(=O)c1ccnc3ccnn13)CCO2 1053284937 HPXKNJUQSIEYPA-UHFFFAOYSA-N 311.345 -0.111 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(N)=O 1053816004 BWKXTCMAXHOCLH-RVMXOQNASA-N 321.377 -0.604 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)C[C@H]3CCN(C)C3=O)CO2)C1 1053841915 WGAKUJXEOUVFEK-KGLIPLIRSA-N 319.405 -0.162 30 20 DBED C=CCN1CC2(C[C@@H](NC(=O)CN3CCCNC3=O)CO2)C1 1053857284 ALEZRLXVCABPSN-GFCCVEGCSA-N 308.382 -0.453 30 20 DBED Cc1nc(CC(=O)NC2[C@H]3CN(c4cnc(C#N)cn4)C[C@H]23)n[nH]1 1056201967 GFNLXHUBZWFJFX-QWRGUYRKSA-N 324.348 -0.432 30 20 DBED Cn1cncc1CC(=O)NC1[C@@H]2CN(c3cnc(C#N)cn3)C[C@@H]12 1056254873 SWUYXWRZTRCOHV-CHWSQXEVSA-N 323.360 -0.125 30 20 DBED N#Cc1nccc(N2C[C@H]3C(NC(=O)Cn4nccn4)[C@@H]3C2)n1 1056316209 RUYWWXWTBSIICI-NXEZZACHSA-N 310.321 -0.809 30 20 DBED CN1C[C@H](C(=O)N2CC[C@@H](Nc3nccnc3C#N)C2)NC1=O 1056745340 VQHYUAKZWJHHFN-MWLCHTKSSA-N 315.337 -0.615 30 20 DBED N#Cc1cncc(N2CCC[C@H](NC(=O)Cn3cncn3)C2)n1 1058159999 FLNCGRHYKSUIOJ-NSHDSACASA-N 312.337 -0.275 30 20 DBED C=CC(C)(C)C(=O)N(CCO)CCNC(=O)CCn1ccnn1 1058302544 XOQLZIKPOQIOIU-UHFFFAOYSA-N 323.397 -0.183 30 20 DBED CN1CCO[C@H](C(=O)N[C@H]2CCN(c3cncc(C#N)n3)C2)C1 1058317108 OVCHYVWDCGRVPL-AAEUAGOBSA-N 316.365 -0.626 30 20 DBED CCc1oncc1C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N 1058659110 STDDFLOIPMEFBO-JTQLQIEISA-N 308.338 -0.053 30 20 DBED O=C(C#CC1CC1)NCC[C@H]1CCN(C(=O)Cn2cnnn2)C1 1059129597 PBYPOSCWTJNVQC-ZDUSSCGKSA-N 316.365 -0.559 30 20 DBED N#Cc1ccc(N[C@H]2C[C@@H](NC(=O)[C@@H]3CCNC3=O)C2)nn1 1059781824 NBNRLHQLPJTEPK-OUAUKWLOSA-N 300.322 -0.457 30 20 DBED C#CCCCC(=O)NCC[C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 1060258423 GJOVQTHHIBKPPX-QWHCGFSZSA-N 320.393 -0.174 30 20 DBED C=CCCCC(=O)N1CCOC[C@H]1CNC(=O)[C@@H]1CCNC1=O 1061747976 CYOBCQFOWFZMQI-CHWSQXEVSA-N 323.393 -0.178 30 20 DBED CN(C(=O)[C@@H]1CCC(=O)N1)[C@H]1CCN(c2ccnc(C#N)n2)C1 1062960350 SIXRJKIQJHRSDY-QWRGUYRKSA-N 314.349 -0.336 30 20 DBED N#Cc1ccc(N2CCO[C@@H](CNC(=O)[C@@H]3CCCO3)C2)nn1 1063605315 HDLFLRSVWSMHNP-STQMWFEESA-N 317.349 -0.151 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)C(=O)NCC2CC2)CCC1 1064237977 AYHFMAWZJSTALO-SNVBAGLBSA-N 306.366 -0.173 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)[C@@H](C)NC(C)=O)CCO1 1064815586 YNSWUDNHXCGFIC-DGCLKSJQSA-N 311.382 -0.179 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CCCNC2=O)CCO1 1065263095 RPGNDGGNKXGVQO-CHWSQXEVSA-N 323.393 -0.178 30 20 DBED C=CCCCC(=O)NC[C@@H]1CN(C(=O)C2(C(N)=O)CC2)CCO1 1065543802 FXBCFEYJRDEDJN-GFCCVEGCSA-N 323.393 -0.048 30 20 DBED N#Cc1nccnc1N1CCOC[C@H]1CNC(=O)[C@@H]1CCOC1 1066469888 IETYVFMRMFNAAA-VXGBXAGGSA-N 317.349 -0.294 30 20 DBED Cc1cc(C#N)nc(N2CC[C@H](NC(=O)C(N)=O)C(C)(C)C2)n1 1067336157 HAKABYGMUMAKHH-NSHDSACASA-N 316.365 -0.137 30 20 DBED Cn1cc(C(=O)NCC2[C@H]3CN(c4ccc(C#N)nn4)C[C@H]23)nn1 1068169742 RTOJVMYXBPFVOA-VXGBXAGGSA-N 324.348 -0.411 30 20 DBED C=CCCC(=O)N[C@H]1COC2(C1)CN(C(=O)CN(C)C(C)=O)C2 1068748926 ZXSBZSCXEGNLKJ-CYBMUJFWSA-N 323.393 -0.083 30 20 DBED C[C@@H]1[C@H](Nc2ccc(C#N)nn2)CCN1C(=O)Cn1ncnn1 1068900392 KBPOWQHHUHUGRB-MWLCHTKSSA-N 313.325 -0.564 30 20 DBED C=C(C)C[C@@H](C)C(=O)N[C@H]1COC2(C1)CN(C(=O)C(N)=O)C2 1068975923 PDIIQRQKZJVRNC-GHMZBOCLSA-N 309.366 -0.440 30 20 DBED C=CCOCC(=O)N1CC2(C[C@@H](NC(=O)c3cnon3)CO2)C1 1068978876 VYORWAMSDXEKNH-SNVBAGLBSA-N 322.321 -0.628 30 20 DBED C#CCNC(=O)CC(=O)NC1(CC)CCN(C(=O)COC)CC1 1069110037 DQRVRSLVYLHKJL-UHFFFAOYSA-N 323.393 -0.340 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC[C@@]2(CCCN(C(=O)C(N)=O)C2)C1 1069776989 WIIDVAWLMXFDQB-CVEARBPZSA-N 323.393 -0.360 30 20 DBED CC#CCN1CCn2ncc(CNC(=O)c3nnn(C)n3)c2C1 1069870717 OTWSMZSJERISLJ-UHFFFAOYSA-N 314.353 -0.825 30 20 DBED CC#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2cnn[nH]2)C1 1069965972 PRCNRPRZGQJAFN-NEPJUHHUSA-N 300.326 -0.925 30 20 DBED N#CCN1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2COCCO2)C1 1070398713 XLTMCWGAEFLHNU-YPMHNXCESA-N 319.365 -0.246 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@@H]2CCN(C)C2)C[C@H]1c1cncn1C 1070719031 PVNYFDQAZZCZDY-RBSFLKMASA-N 315.421 -0.111 30 20 DBED C#CCCN1CCNC(=O)CCN(C(=O)c2cnn(C)c2)CC1 1070938396 RECXKDOCMOENDX-UHFFFAOYSA-N 317.393 -0.293 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H](NC(=O)C2(NC(N)=O)CC2)C1 1071227056 XWLGYRWOONZBBI-VHSXEESVSA-N 307.354 -0.546 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H](C)[C@H](NC(=O)C2(CF)CC2)C1 1071942508 HZPAZAKKINMAHP-NWDGAFQWSA-N 323.368 -0.161 30 20 DBED C[C@H]1CC[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)CN1CC#N 1071991433 FQELXDGNRRYGBU-VHSXEESVSA-N 315.337 -0.476 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCN(C(=O)CC(N)=O)CC1(C)C 1073393208 FUXNVSDAXSGGKH-GFCCVEGCSA-N 323.393 -0.355 30 20 DBED COCCC(=O)N1CC(N2CCN(C(=O)[C@@H](C)C#N)CC2)C1 1073596905 LJBJYALIFAJKDL-LBPRGKRZSA-N 308.382 -0.462 30 20 DBED C#CCCN1CCCO[C@H](CNC(=O)c2c[nH]c(C(N)=O)c2)C1 1073890614 HAMAAFCKQPRLRM-CYBMUJFWSA-N 318.377 -0.042 30 20 DBED C#CCN[C@@H]1CCCO[C@@H]1C1CCN(C(=O)CC(N)=O)CC1 1075407054 VPMAAMPHKLFGNM-CZUORRHYSA-N 307.394 -0.129 30 20 DBED C#CCO[C@@H](C)C(=O)NCC[C@H](C)NC(=O)CCn1cnnn1 1076508849 HDGCJYMZKONMPY-RYUDHWBXSA-N 322.369 -0.888 30 20 DBED C=CCN1CC[C@H](N2C[C@@H](O)[C@H](NC(=O)CC3CC3)C2)C1=O 1076672415 SECANZUJXVPKHK-HZSPNIEDSA-N 307.394 -0.265 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H](C)CCNC(=O)CNC(=O)NC 1076900905 KPDNZKOICZACLO-HZMBPMFUSA-N 314.386 -0.747 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3cnnn3)cn2)C1 1077443175 URXGRFAASGCYDO-CHWSQXEVSA-N 315.337 -0.982 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)Cn2c(O)nc3ccccc32)C1 1077737019 UPJOESKBDWSPLJ-TZMCWYRMSA-N 314.345 -0.464 30 20 DBED C=C[C@@](C)(O)CC(=O)N(CC)C1CN(C(=O)Cn2cnnn2)C1 1079684560 KXKNFYCDFOKHAA-CQSZACIVSA-N 322.369 -0.941 30 20 DBED C#CCCCC(=O)N(CC)C1CN(C(=O)CCNC(N)=O)C1 1079685365 DVAVWWMCVGZLFY-UHFFFAOYSA-N 308.382 -0.092 30 20 DBED C=CCCC(=O)NC1(CO)CCN(C(=O)c2nnn(C)n2)CC1 1080769172 INKZWHXTIXNFBA-UHFFFAOYSA-N 322.369 -0.740 30 20 DBED C=CCCN1C[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)[C@H](C)C1 1080771412 IJNOZMSFGALUFK-VXGBXAGGSA-N 308.382 -0.107 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CO)(NC(=O)c2ccncn2)CC1 1080960064 BMIUIVDNBXGDLX-NSHDSACASA-N 317.349 -0.280 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCC(CO)(NC(=O)[C@@H](C)C#N)CC1 1080980127 KWZUEMCONCDYQG-SWLSCSKDSA-N 323.393 -0.057 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)c2cnco2)C[C@H]1O 1081463280 KZHUZLVFHKPSOK-NWDGAFQWSA-N 305.334 -0.117 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1ccc2c(c1)nnn2C 1081854424 ITDKCVZXONEREI-TZMCWYRMSA-N 314.349 -0.079 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CN(Cc3cnon3)C[C@@H]2O)[nH]1 1083413424 NFFHQCSCEOIOCY-NEPJUHHUSA-N 302.294 -0.756 30 20 DBED Cn1nnc2cc(C(=O)N[C@@H]3CN(CC#N)C[C@@H]3O)ccc21 1083571257 OCJWGNQORILJNH-YPMHNXCESA-N 300.322 -0.733 30 20 DBED CC(=O)Nc1c[nH]c(C)c1C(=O)N[C@@H]1CN(CC#N)C[C@@H]1O 1083587451 WMYQDPUZFGHZEI-NEPJUHHUSA-N 305.338 -0.420 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2ccn(CCN(C)C)n2)[C@H](O)C1 1090273159 SBMAGSNPMOLBKR-UKRRQHHQSA-N 319.409 -0.757 30 20 DBED CCc1c(C(=O)N[C@@H]2CCN(CC#N)C[C@H]2O)nnn1CC 1090568879 IMJPKTNFCGPAIB-ZYHUDNBSSA-N 306.370 -0.451 30 20 DBED C[C@@H](CC(N)=O)C(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1C 1090804207 MPNAMFUDBWRJCW-HOSYDEDBSA-N 316.365 -0.199 30 20 DBED C#CCN1CCC(C(=O)N[C@H]2CCN(CCOC)C[C@@H]2O)CC1 1090832160 YQKPNAQHDUFIGR-HOTGVXAUSA-N 323.437 -0.471 30 20 DBED CNC(=O)NCC(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1C 1090838515 MRHLUOZTLQJGQR-ZWNOBZJWSA-N 316.365 -0.177 30 20 DBED COCc1nc(C(=O)N[C@@H]2CCN(CC#N)C[C@@H]2O)cs1 1090844434 QAHCQOLNHHMNHW-KOLCDFICSA-N 310.379 -0.022 30 20 DBED COCC1(C(=O)N[C@@H]2CN(c3cncc(C#N)n3)C[C@@H]2O)CC1 1091162077 PDGSQVUUUPIDSQ-NEPJUHHUSA-N 317.349 -0.559 30 20 DBED CSCC(=O)N[C@H]1CCN(c2ccnc(C#N)n2)C[C@@H]1O 1092148808 UXZCTOOEYCFBOA-UWVGGRQHSA-N 307.379 -0.233 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)[C@H]3CCC(=O)N3)c3nccn32)C1 1092357038 OJEWHHRLMLAXMR-MNOVXSKESA-N 314.349 -0.743 30 20 DBED CC(=O)N(C)CC(=O)N1CCN(c2cncc(C#N)n2)CC1 1093132507 BOPNBGPAJUJSTG-UHFFFAOYSA-N 302.338 -0.525 30 20 DBED C#CCN1CC(OC2CCN(C(=O)[C@H]3COCCO3)CC2)C1 1093510565 GCLBEVZLAMBWHR-OAHLLOKOSA-N 308.378 -0.273 30 20 DBED C[C@]1(C(=O)N2CCC(OC3CN(CC#N)C3)CC2)CNC(=O)C1 1093555867 LOQYNJSNKTWBII-MRXNPFEDSA-N 320.393 -0.272 30 20 DBED Cc1cc(C#N)nc(NCCNC(=O)C2CC(=O)NC(=O)C2)n1 1093741815 VWWLAOIWXQQQCH-UHFFFAOYSA-N 316.321 -0.762 30 20 DBED CN1CCC(OCC(=O)NCCNc2cnc(C#N)cn2)CC1 1093814904 ISRSEYCLZYIGKU-UHFFFAOYSA-N 318.381 -0.013 30 20 DBED C#CCOCCC(=O)NCCNc1ncc(C(=O)OC)cn1 1093893423 ZUOLOKMFXOKWLT-UHFFFAOYSA-N 306.322 -0.169 30 20 DBED N#Cc1nc(=NCCNC(=O)C[C@@H]2CCS(=O)(=O)C2)cc[nH]1 1093991965 PDYZDNBTWIZOHA-JTQLQIEISA-N 323.378 -0.877 30 20 DBED C[C@H]1CN(C)C[C@H]1C(=O)NCc1cn(C2CN(CC#N)C2)nn1 1094315924 CULKSGHXHAIPKU-SMDDNHRTSA-N 317.397 -0.528 30 20 DBED N#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H]1CCc2nnc(O)n2C1 1095642508 ZWMMGTKOGPRBPM-WYUUTHIRSA-N 316.365 -0.209 30 20 DBED CC(=O)NCC(=O)N1CCC[C@H](CN=c2cc[nH]c(C#N)n2)C1 1097353792 ZJRAKFUWWRXIBH-GFCCVEGCSA-N 316.365 -0.443 30 20 DBED COC(=O)NCC(=O)NC[C@H](C)Nc1nc(C)cc(C#N)n1 1097694488 VVCRHELDMPQNSX-VIFPVBQESA-N 306.326 -0.071 30 20 DBED C[C@@H](CNC(=O)[C@]1(C)CNC(=O)C1)Nc1nccnc1C#N 1098153376 QPTBFCOKHQXJCY-XPTSAGLGSA-N 302.338 -0.209 30 20 DBED C[C@H](CNC(=O)[C@H]1CCC(=O)N1C)Nc1cnc(C#N)cn1 1098231092 XJVJBALLEPVIDR-MWLCHTKSSA-N 302.338 -0.114 30 20 DBED C#CCNCc1cn([C@H]2CCN(C(=O)c3ccncn3)C2)nn1 1098751449 NJOAZWZPGROPQM-ZDUSSCGKSA-N 311.349 -0.122 30 20 DBED CCN(CCC#N)C(=O)CN1CC[C@H](NC(=O)C(C)C)[C@@H](O)C1 1099669241 OJLKOSSZQDIBIO-KBPBESRZSA-N 324.425 -0.044 30 20 DBED Cc1cc(C#N)nc(N[C@@H](C)CCNC(=O)[C@H]2CNC(=O)N2)n1 1099682938 RUCKZVPEUKIJEP-GZMMTYOYSA-N 317.353 -0.355 30 20 DBED CCn1nncc1C(=O)N[C@H]1CCN(CC#CCOC)C[C@@H]1O 1099807771 VSWQGYSMBZTYON-JSGCOSHPSA-N 321.381 -0.887 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)Cc2ccn(C)n2)[C@@H](O)C1 1099815206 CTJLITCFUZJASD-CABCVRRESA-N 320.393 -0.836 30 20 DBED CCNC(=O)CN1CC[C@H](NC(=O)C#CC(C)(C)C)[C@H](O)C1 1099829398 FAVVXUREKWWVEH-QWHCGFSZSA-N 309.410 -0.277 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CNC(=O)C2CCCC2)[C@@H](O)C1 1099848153 SMYNPFMDXCLYPF-CABCVRRESA-N 321.421 -0.133 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)c2ccns2)[C@@H](O)C1 1099854000 ZQEBCCHELMLSJN-QWRGUYRKSA-N 324.406 -0.390 30 20 DBED N#CCN1CC[C@@H](NC(=O)CNC(=O)c2ccccc2)[C@@H](O)C1 1100083473 SUCPNJUCLUKYEX-KGLIPLIRSA-N 316.361 -0.509 30 20 DBED C=CCNC(=O)CNC1CC(CNC(=O)CN2CCOCC2)C1 1100256179 PDBFENNPBUHPAV-UHFFFAOYSA-N 324.425 -0.895 30 20 DBED CN(CCNC(=O)c1cn(C)c(O)n1)c1cnc(C#N)cn1 1100301850 FZRDBPPHZFXFRW-UHFFFAOYSA-N 301.310 -0.346 30 20 DBED CCN(CCNC(=O)Cn1nccn1)c1nc(C)cc(C#N)n1 1100626749 RSPIVSFUKGBBDB-UHFFFAOYSA-N 314.353 -0.109 30 20 DBED C=CCn1cc(C(=O)NCC2CC(NCC(=O)NC)C2)nn1 1100739468 ZGVVEQNKXHOLQZ-UHFFFAOYSA-N 306.370 -0.692 30 20 DBED N#Cc1ccc(N2CC[C@H](CNC(=O)Cc3nc[nH]n3)C2)nn1 1101012065 QVOZHVSYEGJVMB-SNVBAGLBSA-N 312.337 -0.348 30 20 DBED N#Cc1cncc(N(CCNC(=O)CCNC(N)=O)C2CC2)n1 1101345286 CZLWROPGOLINEC-UHFFFAOYSA-N 317.353 -0.508 30 20 DBED CC(=O)N[C@@H](C)C(=O)NC[C@H](C)CN=c1cc[nH]c(C#N)n1 1103850237 OICGPILLRKWJHV-ZJUUUORDSA-N 304.354 -0.541 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H](C)CN=c1cc[nH]c(C#N)n1 1103956143 KSLNXZHSLDTXBW-LLVKDONJSA-N 314.349 -0.926 30 20 DBED C#CCOCCC(=O)N1C[C@@H](C)[C@H](CCNCC(=O)NC)C1 1104182867 SKLDYIVISHQGRH-ZIAGYGMSSA-N 309.410 -0.154 30 20 DBED C#CCNC(=O)CC(=O)N(C)CCN(C)c1ccncc1C#N 1105369160 QXJVLSVCVJAXDW-UHFFFAOYSA-N 313.361 -0.013 30 20 DBED C[C@](O)(CC(=O)NC[C@@H](O)CNc1cncc(C#N)n1)C1CC1 1105827918 ZUTFKAKDWVFMDR-WFASDCNBSA-N 319.365 -0.212 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H](O)CNC(=O)Cn1ccnc1 1105883688 XFMDMGPDFDMQMK-LBPRGKRZSA-N 300.322 -0.839 30 20 DBED CC(=O)NC(C)(C)C(=O)NC[C@H](O)CNc1cncc(C#N)n1 1105897822 HMFJFHKJEKPYJU-LLVKDONJSA-N 320.353 -0.848 30 20 DBED COCCO[C@H](C)C(=O)NC[C@H](O)CNc1ccc(C#N)nn1 1105962339 FBBFPLRVFXGPCK-ZYHUDNBSSA-N 323.353 -0.711 30 20 DBED CNC(=O)NCC(=O)NC[C@@H](O)CNc1nc(C)ccc1C#N 1106147686 VIQPMLGUSWAOOM-LLVKDONJSA-N 320.353 -0.920 30 20 DBED C[C@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)c1ccc(O)nn1 1106209329 WBPBUYHETAFWSG-SECBINFHSA-N 313.321 -0.114 30 20 DBED C=CCOCC(=O)NCc1cn(C2CN(CCCO)C2)nn1 1107147264 XECSTQRDAMBPBS-UHFFFAOYSA-N 309.370 -0.664 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)C[C@@H]2CCC(=O)N2C)C1 1108112752 AAZOJIUTAUFYSM-XJKSGUPXSA-N 307.394 -0.162 30 20 DBED C[C@@H](C(=O)N[C@H](C)CNc1cncc(C#N)n1)S(C)(=O)=O 1108197797 JDUXTTJLXGKJCR-BDAKNGLRSA-N 311.367 -0.302 30 20 DBED CNC(=O)C1(C(=O)NC[C@]2(C)CN(CC#N)CCO2)CCC1 1108356311 ATLOUXQCHDQSQY-CQSZACIVSA-N 308.382 -0.367 30 20 DBED C=CCCN1CC(N2C[C@@H](NC(=O)CC(=O)NCC)CC2=O)C1 1108538960 RKLXERIQLPGMHH-LBPRGKRZSA-N 322.409 -0.510 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)[C@H](C)NC(=O)CC)CC2=O)C1 1108548372 LVXVQRBAWIWGQQ-RYUDHWBXSA-N 322.409 -0.512 30 20 DBED C[C@@H](CNc1cncc(C#N)n1)NC(=O)CC1CS(=O)(=O)C1 1108596285 KMAYIPZRVWZFAV-VIFPVBQESA-N 323.378 -0.300 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CN(C)c1nccc(C)n1 1108941618 XQMFWWCEKZJDDN-LBPRGKRZSA-N 303.366 -0.135 30 20 DBED C[C@@H](CN(C)c1cnc(C#N)cn1)NC(=O)[C@H]1CN(C)C(=O)N1 1109193126 AICMJTYZRZDFPB-GXSJLCMTSA-N 317.353 -0.687 30 20 DBED N#Cc1nc(=NC[C@@H]2CCCC[C@@H]2NC(=O)CC(N)=O)cc[nH]1 1109336077 ITJLCLIFKQWXTN-QWRGUYRKSA-N 316.365 -0.268 30 20 DBED N#Cc1nccnc1NC[C@@H](NC(=O)CCNC(N)=O)C1CC1 1109850226 RCUYQWBNVHBGJH-LLVKDONJSA-N 317.353 -0.287 30 20 DBED N#Cc1cnc(NCCN(CCO)C(=O)CC2(O)CCC2)cn1 1111471863 VRHJJQQBEVSHEI-UHFFFAOYSA-N 319.365 -0.114 30 20 DBED C[C@@H]1CN(c2ccc(C#N)nn2)CC[C@H]1NC(=O)CNC(N)=O 1112392524 ICQKJCJGJWCLIM-MWLCHTKSSA-N 317.353 -0.652 30 20 DBED CSCC(=O)NC[C@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1112696634 CSRIWQSYVACEIY-ONGXEEELSA-N 307.379 -0.375 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H](C)N(C)c1nccc(OC)n1 1113566810 BFIRMNIVUUSCCD-NSHDSACASA-N 319.365 -0.434 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1C)N(C)c1ccc(C#N)nn1 1113813898 WZQYESHKZXMHDE-JQWIXIFHSA-N 316.365 -0.090 30 20 DBED C=CCOCC(=O)NC1[C@@H]2CN([C@@H]3CCN(CC)C3=O)C[C@@H]12 1114048375 XLJNGWXZODIBPE-JHJVBQTASA-N 307.394 -0.144 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@@H]2CN(CCC[C@@H](C)O)C[C@@H]12 1114159780 LRQKTCHVVAPJPU-JHJVBQTASA-N 307.394 -0.667 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@H]1[C@@H]2CN(Cc3nncn3C)C[C@@H]21 1114194054 KPTKZWAOJQHYJB-FDRIWYBQSA-N 305.382 -0.311 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@H]3OCC[C@H]3CC)[C@H]2C1 1114425821 GQOPZSXFDAWHMD-KLUNEYRZSA-N 319.405 -0.403 30 20 DBED Cc1ncnc(O)c1CCC(=O)N[C@H]1[C@@H]2CN(CC#N)C[C@@H]21 1114516282 UZOJVNIEBMTZSX-IMRBUKKESA-N 301.350 -0.007 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)C3CC4(CC4)C3)[C@@H]2C1 1114819387 OMKCDSDHDCIELB-CHWSQXEVSA-N 301.390 -0.028 30 20 DBED CN(C(=O)CNC(N)=O)[C@H](CN=c1cc[nH]cc1C#N)C1CC1 1115466848 BRZJXIACZJVOIF-CYBMUJFWSA-N 316.365 -0.308 30 20 DBED CC(=O)NCC(=O)N(C)[C@H](CN=c1cc[nH]c(C#N)n1)C1CC1 1115482583 JLAMMJIEXPKNKE-GFCCVEGCSA-N 316.365 -0.445 30 20 DBED N#Cc1cccc(CN2C(=O)N[C@@H](CCS(N)(=O)=O)C2=O)c1 1117776949 DXDFSXQATJGXMR-NSHDSACASA-N 322.346 -0.343 30 20 DBED C=C(C)CN(C)C(=O)C(=O)NC[C@H]1CC[C@H](C(=O)N(C)C)O1 1118797631 OZCCNEBWZHMKHY-VXGBXAGGSA-N 311.382 -0.227 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)CCn2cncn2)cn1 1121067531 NQVYFKNGXXGLHQ-ZDUSSCGKSA-N 315.337 -0.476 30 20 DBED Cn1ccc(C(=O)NC[C@H](CO)Nc2nccnc2C#N)c1 1121295558 GKGHVXUSJJIUDL-LLVKDONJSA-N 300.322 -0.110 30 20 DBED C=CCOCC(=O)NC[C@H](CO)Nc1cc(OCC)ncn1 1121324134 JYKBZSZEFYWMOD-LLVKDONJSA-N 310.354 -0.033 30 20 DBED Cc1nnc(CC(=O)NC[C@@H](CO)Nc2ncccc2C#N)o1 1121432297 KIVPRYVRNKWUIQ-NSHDSACASA-N 316.321 -0.224 30 20 DBED Cc1nc(CC(=O)NC[C@H](CO)Nc2ncccc2C#N)n[nH]1 1121445575 BVJIMRVLIUELGK-LLVKDONJSA-N 315.337 -0.489 30 20 DBED Cc1c[nH]c(C(=O)NC[C@H](CO)Nc2cnc(C#N)cn2)n1 1122686265 ATSJTLNFJYKUCL-SNVBAGLBSA-N 301.310 -0.417 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)c2cnn(C)c2C)C1=O 1123603100 MJZXNALBLVITRY-CYBMUJFWSA-N 305.382 -0.165 30 20 DBED CN(C[C@@H](O)CNc1nccnc1C#N)C(=O)c1cc[nH]n1 1124045185 FMBREMPBYUDPTF-VIFPVBQESA-N 301.310 -0.384 30 20 DBED CC(=O)N[C@H](C)C(=O)N(C)C[C@H](O)CNc1cncc(C#N)n1 1124060238 VFXRQQZNILUMNM-BXKDBHETSA-N 320.353 -0.896 30 20 DBED COC(=O)NCC(=O)N(C)C[C@H](O)CNc1ccc(C#N)cn1 1124092298 ZDLDTOVLQIDLRE-LLVKDONJSA-N 321.337 -0.460 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]cc1C#N)C(=O)c1cocn1 1124199863 GFRWQBWSVDXHHS-NSHDSACASA-N 301.306 -0.092 30 20 DBED CC(C)[C@@H](O)C(=O)N(C)C[C@@H](O)CN(C)c1nccnc1C#N 1125075563 QKXDTWBPAFZWAP-WCQYABFASA-N 321.381 -0.379 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)c2cncnc2O)C1=O 1130072221 DUDANNLFUXEAPT-LLVKDONJSA-N 305.338 -0.712 30 20 DBED C#CCNC(=O)CN1C[C@H](NC(=O)CN(C)C(C)=O)CC[C@H]1C 1131833591 BOCRFILGELBVAG-TZMCWYRMSA-N 322.409 -0.817 30 20 DBED N#CCNC(=O)CNCCNC(=O)[C@@H]1OCCc2ccccc21 1132190981 GSWPLZPVNCVIKD-OAHLLOKOSA-N 316.361 -0.354 30 20 DBED C[C@@H]1CCN(C(=O)CN(C)S(C)(=O)=O)C[C@@H]1CNCC#N 1132865024 GPCSJSDHAMFPET-NEPJUHHUSA-N 316.427 -0.524 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)Cn1ccc(C)cc1=O 1134537867 IDIMBNLFPZRGMH-ZDUSSCGKSA-N 320.393 -0.447 30 20 DBED C[C@H](C[C@@H](C)NC(=O)Cn1nc2n(c1=O)CCCC2)NCC#N 1135881999 FXULSLOZTHREII-VXGBXAGGSA-N 320.397 -0.222 30 20 DBED C[C@H](C(N)=O)N1CCCO[C@H](CNC(=O)CSCC#N)C1 1149206033 DJXPIHZIABKDTG-GHMZBOCLSA-N 314.411 -0.676 30 20 DBED C#CCNC(=O)CN1CCCO[C@@H](CNC(=O)[C@H](F)CC)C1 1150093250 ZREVLPABIMFDMK-QWHCGFSZSA-N 313.373 -0.309 30 20 DBED CC#CCN1CCCO[C@H](CNC(=O)CCn2cnnn2)C1 1150499049 SKBAWYNVEKRZNR-CYBMUJFWSA-N 306.370 -0.706 30 20 DBED C#CCNC(=O)CNCCNC(=O)CCCOc1cccnc1 1151755602 AEAJRHKSKCQYGL-UHFFFAOYSA-N 318.377 -0.304 30 20 DBED CCN(CC#CCOC)[C@H](C)CNC(=O)CNC(=O)C1CC1 1152065025 BKFQUCJJQNVEJD-CYBMUJFWSA-N 309.410 -0.011 30 20 DBED C#CCN1CCC(CNC(=O)c2nnn(C)n2)(COC)CC1 1162419709 UBNKPONFDYAKEU-UHFFFAOYSA-N 306.370 -0.698 30 20 DBED C#CCO[C@H](C)C(=O)NCCC1(CNC[C@H](O)COC)CC1 1164508918 OYNZYVYCCLABDY-KGLIPLIRSA-N 312.410 -0.092 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)CN1CC[C@@H](C)C1 1166677778 MWFXIAKJIGLPBM-ZIAGYGMSSA-N 308.426 -0.438 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCCCN[C@@H]1CCNC1=O 1170310048 ATBBEPZVZDHQBH-QWHCGFSZSA-N 322.409 -0.721 30 20 DBED C#CCNC(=O)CNCCCNC(=O)CCCC(=O)NC(C)C 1171512759 XYQLUYYLUJCYIS-UHFFFAOYSA-N 324.425 -0.473 30 20 DBED CNC(=O)C1(C(=O)N2CC[C@H]3OCCN(CC#N)[C@@H]3C2)CC1 1177113361 STOYPFZZOVRASB-VXGBXAGGSA-N 306.366 -0.662 30 20 DBED N#CCN1CCO[C@@H]2CCN(C(=O)CC(=O)NCC3CC3)C[C@H]21 1177130410 ANFBEMSXIZXPIP-ZIAGYGMSSA-N 320.393 -0.272 30 20 DBED C=CCO[C@@H](C)C(=O)NCCCNCCOCCNC(C)=O 1177273231 KRJXJACDMXNBMC-ZDUSSCGKSA-N 315.414 -0.174 30 20 DBED C=CCCN[C@H]1CCN(C(=O)CN2CCN(C)C(=O)C2)[C@H]1C 1179025723 XFFLZMSTVUSUKK-KBPBESRZSA-N 308.426 -0.085 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2cc(C)no2)C1 1180939387 DWPFESHTWVBOOJ-NWDGAFQWSA-N 304.350 -0.075 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)C[C@@H]2CCNC2=O)C1 1183222098 HIVQTODYUHHLNZ-NWDGAFQWSA-N 308.382 -0.995 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2ncccn2)C1 1186513036 VGSUGZYNTLTLCD-VXGBXAGGSA-N 303.366 -0.029 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)Cc2csc(C)n2)C1 1187656415 OYIOPLBCFPGOMF-GFCCVEGCSA-N 320.418 -0.066 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)[C@@]23COC[C@@H]2C3)C1 1190257134 COYHMPVRXZPVFA-XEZPLFJOSA-N 307.394 -0.142 30 20 DBED N#CCN1C[C@@H]2CCN(C(=O)CCNC(=O)[C@H]3CCCO3)[C@@H]2C1 1190494292 JBJXJGVWBBQOFX-BFHYXJOUSA-N 320.393 -0.272 30 20 DBED Cc1nc[nH]c1C(=O)N1CC[C@H]2CN(CC(=O)NCC#N)C[C@H]21 1190536182 YVHXBBMOFKHJJL-NWDGAFQWSA-N 316.365 -0.496 30 20 DBED C=CCCC(=O)N[C@@H]1CN(CCCS(=O)(=O)CC)C[C@H]1O 1191646226 YBUCXGNIZXSKHA-CHWSQXEVSA-N 318.439 -0.061 30 20 DBED CC(C)Cn1ncnc1CN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)C#N)C1 1191853584 GHGOCDGGOOJHNC-YNEHKIRRSA-N 320.397 -0.245 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)C2CC=CC2)C1 1191952319 QOPBUVKXUITODG-IACUBPJLSA-N 307.394 -0.195 30 20 DBED C#CCCCCC(=O)N[C@@H]1CN([C@@H](C)c2nnnn2C)C[C@H]1O 1192321235 UFASWPUTQCFXTG-YNEHKIRRSA-N 320.397 -0.374 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(CCc2ccnn2C)C[C@H]1O 1192890644 ANXRRBJJZCDNGU-NWANDNLSSA-N 320.393 -0.838 30 20 DBED CC#CCN(C)[C@H]1CCN(C(=O)CCCN2C(=O)CNC2=O)C1 1193940428 KBUZXTMSVKRPHM-ZDUSSCGKSA-N 320.393 -0.126 30 20 DBED C#CCCN(C)[C@@H]1CCN(C(=O)CCS(=O)(=O)N(C)C)C1 1194209786 RTGBJXDVWLUNRN-CYBMUJFWSA-N 315.439 -0.176 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)Cc2cc(C)nn2C)C1 1194644285 NAXLOBQDWKDEAC-HUUCEWRRSA-N 320.393 -0.918 30 20 DBED C=CCNC(=O)[C@H](C)N1CCCN(C(=O)CC(=O)NC)CC1 1195620295 LQRDBUBBHSPLMZ-LBPRGKRZSA-N 310.398 -0.653 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCCN(CC(=O)NC(=O)NC)CC1 1195791662 IHDJMDNAOFXRNQ-LBPRGKRZSA-N 324.381 -0.985 30 20 DBED C=C(C)CN(CC)C(=O)[C@H](C)N1CCCN(C(=O)C(N)=O)CC1 1196984974 ZBVVLKZHDXTBEK-ZDUSSCGKSA-N 324.425 -0.181 30 20 DBED C=CCNC(=O)[C@@H](C)NC1CCN(C(=O)CN(C)C(C)=O)CC1 1199414995 VIKGATNUHCUJHO-GFCCVEGCSA-N 324.425 -0.264 30 20 DBED C#CCNC(=O)CC(=O)N1CCC(NCc2ccnn2C)CC1 1200170837 LLBZCNHBBZKAQQ-UHFFFAOYSA-N 317.393 -0.360 30 20 DBED C=CCNC[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)CCCO1 1200583272 QWVNWESJVNPRAG-GFCCVEGCSA-N 302.396 -0.576 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC(CNCCOCCO)CC1 1205265689 RFMNSEGRIWMNFO-AWEZNQCLSA-N 312.410 -0.138 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)CC2OCCCO2)C1 1207885293 JSEFOCUKRKVUMX-CYBMUJFWSA-N 323.393 -0.531 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)c2ccc(O)nc2)C1 1210920236 RZHYVQWOXMPNCD-ZDUSSCGKSA-N 316.361 -0.269 30 20 DBED C=CCCCN1C[C@@H](NC(=O)[C@H]2CN(C)C(=O)N2)[C@H](OC)C1 1213266652 CVDXSNWPQFMJFH-JHJVBQTASA-N 310.398 -0.208 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)[C@H]2CC23CCC3)[C@H](OC)C1 1213493873 KRMKOGPRHYEBJQ-MGPQQGTHSA-N 319.405 -0.259 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CC(=O)NC)C[C@H]1C 1214496990 AAECAGNYOIRGDJ-IJLUTSLNSA-N 310.398 -0.750 30 20 DBED C[C@@H]1CN(C(=O)[C@H]2CC2(F)F)C[C@H]1NCC(=O)NCC#N 1214566493 LQPVDUMQHXPRPI-OPRDCNLKSA-N 300.309 -0.282 30 20 DBED CC[C@H](C(=O)N1CCO[C@@H]2CN(CC#CCOC)C[C@@H]21)N(C)C 1218162059 MHVHMDFVCWJVJQ-OWCLPIDISA-N 323.437 -0.112 30 20 DBED C=CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H](C)CS(C)(=O)=O 1219054616 GWJQERIGPIITJI-FRRDWIJNSA-N 316.423 -0.235 30 20 DBED C=CCCC(=O)N[C@@H]1CN(C[C@H](O)COCCOC)C[C@@H]1O 1219344444 KSDRBNACGNUVJL-MJBXVCDLSA-N 316.398 -0.862 30 20 DBED C#CCCCCCC(=O)N[C@@H]1CN([C@@H]2CCN(C)C2=O)C[C@@H]1O 1220146724 OARPZFSAHKTRDG-KFWWJZLASA-N 321.421 -0.038 30 20 DBED C[C@@H](C(N)=O)N1C[C@H](O)[C@H](NC(=O)CC#Cc2ccccc2)C1 1221046202 BLQYJINFABFZEQ-CFVMTHIKSA-N 315.373 -0.537 30 20 DBED N#CCNC(=O)CN1CC[C@@H]2CN(C(=O)CC3(O)CCC3)[C@@H]2C1 1221526638 UQULDHHDKPBKFZ-CHWSQXEVSA-N 320.393 -0.536 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@H]2CCN(CC(=O)NCC#N)C[C@H]21 1221538793 BUAKIIAVIWCZPU-MGPQQGTHSA-N 318.377 -0.803 30 20 DBED C=CCOCCN1CC[C@@H]2CN(C(=O)[C@@H]3CCNC3=O)[C@@H]2C1 1221733039 CBMZHDSQADAHGH-MGPQQGTHSA-N 307.394 -0.142 30 20 DBED C=C[C@@](C)(O)CC(=O)NC1CCN(CCOCCO)CC1 1227123537 DOANKNHRFWMIMU-OAHLLOKOSA-N 300.399 -0.097 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)c2cn(C)nn2)CC1 1227192386 PFFUNLAYFIWELV-UHFFFAOYSA-N 306.370 -0.689 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)c2cn(CC)nn2)CC1 1229795930 KCLWDSSVGVNWPS-UHFFFAOYSA-N 318.381 -0.758 30 20 DBED C=CCN1CCS(=O)(=O)[C@@H](CCNC(=O)c2ccnnc2)C1 1230502826 PMNMRMZCNKBCLK-ZDUSSCGKSA-N 324.406 -0.119 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@H]1CN(C)C(=O)c1cocn1 1231199502 ZFVLSSLKUDAYGN-RYUDHWBXSA-N 304.350 -0.041 30 20 DBED C=CCn1c(-c2ncnn2C)nnc1N1CCS(=O)CC1 1262994355 HJBGRIRDSYVWIB-UHFFFAOYSA-N 307.383 -0.172 30 20 DBED C=CCS(=O)(=O)CCNC(=O)NCC(=O)NCC(C)C 1320016099 QREIWPYMSBIIBX-UHFFFAOYSA-N 305.400 -0.341 30 20 DBED C#CCCCCNC(=O)C(=O)N[C@@H]1CCCS(=O)(=O)C1 1324591072 BLTAWUWXGTWISA-LLVKDONJSA-N 300.380 -0.401 30 20 DBED Cc1cc(CN(C)C(=O)C(=O)N2CC[C@](O)(CC#N)C2)no1 1326215063 CXQLXLMNMWWXFZ-CQSZACIVSA-N 306.322 -0.182 30 20 DBED C#CC1CCN(C(=O)C(=O)N2CCN(CCO)C(C)(C)C2)CC1 1328444149 HVJHFAJQISCUSJ-UHFFFAOYSA-N 321.421 -0.227 30 20 DBED C#CCn1ccc(CN(CC)C(=O)C(=O)NCCOCCF)n1 1331154396 YIFKHAGQGTXGKF-UHFFFAOYSA-N 324.356 -0.033 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2C[C@H]3COC[C@H]3C2)C1=O 1332349955 KQLXSBBVLVFFFQ-FRRDWIJNSA-N 321.377 -0.664 30 20 DBED C=CCn1cc(Cn2nnnc2N2CCN(CC)C(=O)C2)nn1 1335123208 BOJOLJIRCPJPOK-UHFFFAOYSA-N 317.357 -0.833 30 20 DBED C[C@H](NC(=O)C(=O)Nc1sccc1C#N)c1nnnn1C 1336943973 VXDDHVMHOIFIFQ-LURJTMIESA-N 305.323 -0.041 30 20 DBED C=CCn1c([C@@H](O)C2CC2)nnc1N1CCO[C@@H](C(=O)NC)C1 1339451039 VTDIMBZNDBCCAP-NEPJUHHUSA-N 321.381 -0.141 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)[C@H]1CC12CCS(=O)(=O)CC2 1343982234 SBOGYXMIMDTSST-WDEREUQCSA-N 313.375 -0.118 30 20 DBED C[C@H](NC(=O)C(=O)N1CC[C@](F)(C#N)C1)c1nnc2n1CCC2 1344916198 BVXIZPQZCJCVGC-XPTSAGLGSA-N 320.328 -0.134 30 20 DBED C#CCOCCN(C)C(=O)C1CCC2(CC1)NC(=O)NC2=O 1348892350 XZKJTKJWRYJIOH-UHFFFAOYSA-N 307.350 -0.137 30 20 DBED CN(C)S(=O)(=O)CCNS(=O)(=O)CC(C)(C)CC#N 1364000220 OWZMMDOCCBMTOW-UHFFFAOYSA-N 311.429 -0.263 30 20 DBED C[C@@H](CNC(=O)[C@@H](C)C#N)NC(=O)c1ccc2nn[nH]c2n1 1373057769 AHYKRCPUUOQIJG-YUMQZZPRSA-N 301.310 -0.253 30 20 DBED C=C(Cl)CNC[C@@H](O)CNC(=O)c1cnc2[nH]nnc2c1 1374614819 IIHZNDUCQVHHTL-SECBINFHSA-N 310.745 -0.214 30 20 DBED C[C@H](C#N)C(=O)NCCN1CCN([C@H](C)c2nnnn2C)CC1 1376075799 BPBQKRBXRCTUFR-VXGBXAGGSA-N 320.401 -0.835 30 20 DBED C=C(Cl)CNC[C@@H](O)CN(C)C(=O)c1nc2ncccn2n1 1379843975 NTJNPRDQCUQUHO-SNVBAGLBSA-N 324.772 -0.101 30 20 DBED CC(C)[C@H](CNC(=O)c1c[nH]c(=O)cn1)NC(=O)[C@H](C)C#N 1388945744 YSOXKQUDUNFFRI-ZJUUUORDSA-N 305.338 -0.200 30 20 DBED Cc1nn[nH]c1C(=O)NC[C@@H](C)NC(=O)c1c[nH]c(C#N)c1 1392294385 OLLFGEVFSJEHPF-SSDOTTSWSA-N 301.310 -0.139 30 20 DBED C[C@H](C#N)C(=O)NC1CC(N(C)C(=O)CCn2cncn2)C1 1396178057 VKBWYDHCMRWIRV-VOMCLLRMSA-N 304.354 -0.067 30 20 DBED CC(=O)N1CCC[C@H](C(=O)NCCN(C)C(=O)[C@@H](C)C#N)C1 1397974005 ONAJJCWZNXRMDC-AAEUAGOBSA-N 308.382 -0.021 30 20 DBED C=C(Cl)CN[C@@H](C)CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 1402853771 SPZMUKJJNSJVQF-IUCAKERBSA-N 302.762 -0.179 30 20 DBED C=C(Cl)CN[C@@H](C)CNC(=O)Cn1cnc(C(N)=O)n1 1402890261 MBLRBYLJPPCXON-QMMMGPOBSA-N 300.750 -0.776 30 20 DBED CC[C@H](C(=O)NC1CN(CC(=O)N(CC)CCC#N)C1)N(C)C 1404830367 VWZSTSYWJYESNQ-CQSZACIVSA-N 323.441 -0.111 30 20 DBED C=C(Cl)CN(C)C[C@H](C)NC(=O)Cn1ncn(C)c1=O 1406636256 GABVDFFSDAZNDS-JTQLQIEISA-N 301.778 -0.229 30 20 DBED COC(=O)NCCC(=O)Nc1[nH]nc(N2CCOCC2)c1C#N 1411903135 ZAEYNVMOSQYUPT-UHFFFAOYSA-N 322.325 -0.197 30 20 DBED C[C@@H](C[S@@](C)=O)N(C)C(=O)Cn1cc(C#N)c(O)nc1=O 1412748447 JMDICGZFXSWNPU-HXNGOWOSSA-N 312.351 -0.954 30 20 DBED CSCC[C@H](NC(N)=O)C(=O)N1CC[C@](O)(CC#N)C1 1413175965 CRWOCLXEIWSMAF-JOYOIKCWSA-N 300.384 -0.347 30 20 DBED CCS(=O)(=O)NCC(=O)NCC[C@@H](C)NC(=O)[C@H](C)C#N 1431030473 NEJSHHLBHSKFJL-NXEZZACHSA-N 318.399 -0.904 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CCCN1C(=O)CS(C)(=O)=O 1431787461 XHMTYWBPYZAMEX-NXEZZACHSA-N 301.368 -0.702 30 20 DBED CCOCC(=O)N1CC[C@@](O)(CNC(=O)c2cc(C#N)c[nH]2)C1 1432794632 ZCRBAQKNRHNQON-OAHLLOKOSA-N 320.349 -0.384 30 20 DBED C=C(Cl)CN[C@@H](C)CN(C)C(=O)c1cn(CC(N)=O)nn1 1448782548 UUWKZUMUPUQZIQ-VIFPVBQESA-N 314.777 -0.434 30 20 DBED N#Cc1cn(CCC(=O)NCCc2cn[nH]c2)c(=O)nc1O 1450538571 YTBUCYLOMUBSDW-UHFFFAOYSA-N 302.294 -0.707 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)c2ccc(O)nn2)C1 1454070506 UTCLDGDBBKGDJM-OTYXRUKQSA-N 319.321 -0.965 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCNC(=O)C(C)(C)S(C)(=O)=O 1455482831 YAJWVOFFNIFGJB-VIFPVBQESA-N 303.384 -0.456 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)CCc1ccc(O)nc1 1458028148 WPUSMWLNWYBLPC-ZYHUDNBSSA-N 320.349 -0.527 30 20 DBED C[C@H](C#N)C(=O)N(C)CCN1CCN(CC(=O)NC2CC2)CC1 1481466406 AQJMYAXCUDDWEO-CYBMUJFWSA-N 321.425 -0.499 30 20 DBED C[C@H](CN(C)C(=O)c1cc(C(N)=O)c[nH]1)NC(=O)[C@H](C)C#N 1487882104 IHUBVTCCBXKAHV-RKDXNWHRSA-N 305.338 -0.150 30 20 DBED CCN(CCC#N)C(=O)CNC[C@H](C)NC(=O)c1cnnn1C 1498037592 FMMPEQBLGXKYIG-NSHDSACASA-N 321.385 -0.715 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1ccc(N(C)C)nc1 1533294392 XESVSUMXPYIAOU-ZYHUDNBSSA-N 319.365 -0.486 30 20 DBED CC(C)c1nnnn1CC(=O)NCC1(NC(=O)[C@H](C)C#N)CC1 1535491581 FIDSTANUJUQEJS-SNVBAGLBSA-N 319.369 -0.279 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)c2ccnc(C)n2)C1 1567109023 IHAJLTHATIIADS-LBPRGKRZSA-N 303.366 -0.109 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)CNC(=O)O)C1 1573311274 LDBZREBUUGLKFL-GHMZBOCLSA-N 311.338 -0.743 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)C[C@H](C)NC(=O)CNC(=O)O 1573311726 XJSZPFUDNFGJQB-RYUDHWBXSA-N 324.381 -0.685 30 20 DBED N#Cc1cn(CC(=O)N2CCCC[C@H]2C(=O)O)c(=O)nc1O 1574248559 KUAPYGUEKJHIOD-VIFPVBQESA-N 306.278 -0.714 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)[C@@H](C)OCc2cnn[nH]2)CC1 1575176926 IVVVCAHBYBIDCQ-VHSXEESVSA-N 320.353 -0.366 30 20 DBED C#CC[C@H](NC(=O)[C@@H]1CC(c2cn(C)nc2C)=NO1)C(=O)O 1588406670 SBOWCAXGNCUPKF-JQWIXIFHSA-N 304.306 -0.186 30 20 DBED C#CC[C@@H](NC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1)C(=O)O 1588406940 BUNVTHBSZJBKNK-UPJWGTAASA-N 310.350 -0.541 30 20 DBED C#CCN(CC(=O)O)C(=O)[C@H](CO)NC(=O)c1ccc(F)cc1 1588417344 JIEAQZYEEUJSHK-LBPRGKRZSA-N 322.292 -0.537 30 20 DBED C#CC[C@@H](NS(=O)(=O)c1cnc(NC(C)=O)s1)C(=O)O 1588428662 WZAKIIJPKSIOTJ-SSDOTTSWSA-N 317.348 -0.144 30 20 DBED CN(C)c1cc(C#N)cc(C(=O)OCC(=O)NCC(=O)O)c1 1593709407 SQWNMRJPWHWHFU-UHFFFAOYSA-N 305.290 -0.018 30 20 DBED C[C@]1(C#N)CCCN(C(=O)C(=O)N2C[C@H](O)C[C@@H](C(=O)O)C2)C1 1593740802 VTOVMRLJOVGTBP-UEKVPHQBSA-N 323.349 -0.567 30 20 DBED N#Cc1cc(C(=O)O)cn(CC(=O)NC[C@H]2CCCO2)c1=O 1601086461 RCKYFBKRQYUKSE-LLVKDONJSA-N 305.290 -0.287 30 20 DBED N#Cc1cn(CCC(=O)N[C@H](C(=O)O)C2CC2)c(=O)nc1O 1601128925 FEDMRKKEMAPLEX-JTQLQIEISA-N 306.278 -0.810 30 20 DBED C#C[C@H]1COCCN1C(=O)NCc1nc(-c2nn[nH]n2)cs1 1602696137 BUCDCYWDVCWIPT-QMMMGPOBSA-N 319.350 -0.133 30 20 DBED C=C[C@H](COC)NC(=O)N1CCO[C@@](COC)(C(=O)O)C1 1602717686 XXGWWKPLXACJTL-MFKMUULPSA-N 302.327 -0.301 30 20 DBED CN(C)CC#CCNC(=O)CNc1ccc(-c2nn[nH]n2)cn1 1604678136 WKHOOEIQVRQKEX-UHFFFAOYSA-N 314.353 -0.645 30 20 DBED N#Cc1ncc(N2CCC(NCCO)CC2)nc1-c1nn[nH]n1 1606396961 FBLIZXLHFLTSCG-UHFFFAOYSA-N 315.341 -0.921 30 20 DBED CN(C[C@H](O)CN1CCOCC1)C(=O)c1cnccc1C#N 1649812654 IKYYSOVEPAZBNN-ZDUSSCGKSA-N 304.350 -0.282 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@H](NCC(=O)NCC2CC2)C1 1714323652 HKBYNISRABMFFH-JSGCOSHPSA-N 307.394 -0.259 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CC[C@H](C1)N2C(=O)CN(C)C(C)C 1752545057 LFQOSNNWFMOCCZ-GASCZTMLSA-N 320.437 -0.249 30 20 DBED C=C(C)CCN[C@H](C)CNC(=O)CN1CCS(=O)(=O)CC1 1752917046 DQRFPNLVXQKWQG-CYBMUJFWSA-N 317.455 -0.223 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H](C)CCNC(=O)c1nnn(C)c1C 1753003763 BSSFZFQWOSWUOV-MNOVXSKESA-N 320.397 -0.641 30 20 DBED C#CCNC(=O)CN(CC)CCNC(=O)c1snnc1CC 1753085705 MEWFVKJNXDDYJK-UHFFFAOYSA-N 323.422 -0.098 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@H](CNC(=O)CCCOC)C1 1753120961 VFBGSVBTLOZOOO-ZIAGYGMSSA-N 309.410 -0.011 30 20 DBED COCC#CCN1CC[C@H](CCNC(=O)C2CN(C(C)=O)C2)C1 1753326728 OCXNLAVCPTYTRR-HNNXBMFYSA-N 321.421 -0.057 30 20 DBED C=CCOCCN1CC(NC(=O)CCc2nnc(O)nc2O)C1 1753381430 NDOMGNMIBKOWLR-UHFFFAOYSA-N 323.353 -0.782 30 20 DBED C=CCCNC[C@@H](C)N(C)C(=O)CN1C(=O)C(=O)N(C)C1=O 1753726616 MYMXDLXZXITANP-SNVBAGLBSA-N 310.354 -0.580 30 20 DBED CC#CCN[C@@H](CNC(=O)[C@H]1CCS(=O)(=O)N1)C(C)C 1753842371 JTOHWLLXODDDEE-NEPJUHHUSA-N 301.412 -0.568 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)C[C@H](C)NC(=O)c1nccnc1N 1754303806 BMBQHBYHCQPKAX-WDEREUQCSA-N 318.381 -0.753 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)CCN(C)C)C[C@H]1CC 1754470681 PCTPVWUNSJHEGI-HUUCEWRRSA-N 322.453 -0.096 30 20 DBED C=CCCN1CCC[C@](CO)(NC(=O)C[C@H](C)NC(N)=O)C1 1754856373 KALQQGOPIQNHBC-WFASDCNBSA-N 312.414 -0.048 30 20 DBED CC(C)C[C@@H](C(N)=O)C(=O)N1CCC[C@](CO)(NCC#N)C1 1755092556 MZJUZTPPPRGCDD-WFASDCNBSA-N 310.398 -0.399 30 20 DBED N#CCNC(=O)CN1C[C@@H]2C(CNC(=O)[C@H]3CC34CC4)[C@H]2C1 1755429872 MAKKOCMESQCUKI-JHJVBQTASA-N 302.378 -0.280 30 20 DBED CC(C)(C)C#CC(=O)NC[C@@H](CO)NCc1nnnn1C1CC1 1755628398 SLULJGPNMTXVHC-NSHDSACASA-N 320.397 -0.376 30 20 DBED C=CCNC[C@@H]1CC[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 1755742686 SYMFJJJTWJCJGL-VXGBXAGGSA-N 320.393 -0.242 30 20 DBED C[C@@H](CN(C)C(=O)[C@@H](C)C#N)NC(=O)CN1C(=O)CN(C)C1=O 1756490347 ULILCWAASNQGAR-UWVGGRQHSA-N 323.353 -0.997 30 20 DBED C=C1CCC(C(=O)N[C@H](CO)CNC(=O)Cn2cncn2)CC1 1756549771 GBOCYVCNOSOOAH-ZDUSSCGKSA-N 321.381 -0.382 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@H](NC(=O)c2cc(OC)no2)C1 1757167765 VSHADHBEEKIWNA-MNOVXSKESA-N 321.333 -0.212 30 20 DBED C=CCCCC(=O)N1C[C@H](O)[C@H](NC(=O)[C@@H]2CCNC2=O)C1 1757197732 QIYZLVROIBAHRL-UTUOFQBUSA-N 309.366 -0.833 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(O)nc1)CCO2 1783055217 UTIXOLHKNFPPDT-INIZCTEOSA-N 315.329 -0.136 30 20 DBED C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)n3cncn3)C2)C1 1784478384 CAHPMAPGPHBNQX-IUODEOHRSA-N 317.349 -0.698 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1[nH]cnc1C 1796611580 AAKKDYPNEDOXTI-GNXNZQSNSA-N 302.334 -0.445 30 20 DBED C[C@H](S)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)COCCO)C2 1802295799 WWBIGNKVQKHGIG-YFKTTZPYSA-N 316.423 -0.048 30 20 DBED CO[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C#CC(=O)O)C2 1802391697 RUAZVOZLNYCDCE-WISYIIOYSA-N 308.334 -0.253 30 20 DBED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1835354501 ZTPYGRPCJMCBFC-HNNXBMFYSA-N 320.349 -0.340 30 20 DBED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)C#CC2CC2)C1 1841542129 QVFYCXYDSXIDLN-UHFFFAOYSA-N 300.314 -0.309 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ncon1 1847803963 ACPBXHFTHGIYNA-SRVKXCTJSA-N 318.333 -0.077 30 20 DBED N#C[C@H]1COCCN1C(=O)Cn1c(=O)[nH]c2ccccc2c1=O 173122321 ZBRAQDKZCMGHLN-JTQLQIEISA-N 314.301 -0.559 30 20 DBED C#CCNC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 265426452 SYDBOTRKIJJULC-SNVBAGLBSA-N 321.358 -0.564 30 20 DBED CN(C[C@@H]1CCCC[C@@H]1O)c1c(C#N)c(=O)n(C)c(=O)n1C 272243122 RHESSUGVYJKIGC-JQWIXIFHSA-N 306.366 -0.057 30 20 DBED C=C[C@@H](CO)NC(=O)CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 290678002 TUJODOYQISTEHM-JTQLQIEISA-N 323.305 -0.004 30 20 DBED CC/N=C(/O)CN1CCCN(C(=O)Cn2ncn(C)c2=O)CC1 329099032 DAUCWDMXORVBTE-UHFFFAOYSA-N 324.385 -0.908 30 20 DBED C/N=C(/O)CN1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]32)CC1 329809804 CDWNHUHLKZKKLZ-OUCADQQQSA-N 311.382 -0.232 30 20 DBED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCO[C@H](CO)C2)CC1 330650856 PPEACRDONOGEOM-GJZGRUSLSA-N 324.425 -0.628 30 20 DBED CNS(=O)(=O)C[C@@H]1CCCN1S(=O)(=O)CC1(C#N)CC1 331574780 ZDAAPTSAFBQBDF-JTQLQIEISA-N 321.424 -0.366 30 20 DBED CCN(CCC(=O)OC)S(=O)(=O)N1CCO[C@@H](C#N)C1 336930465 ZHCZMLCSPNJHMX-JTQLQIEISA-N 305.356 -0.659 30 20 DBED COC(=O)[C@H]1C[C@@H]1C(=O)N(CCC#N)CCN1CCOCC1 336995462 ZSAPBAJPLYHMQG-STQMWFEESA-N 309.366 -0.130 30 20 DBED C=C(C)CN(C)C(=O)C(=O)NCCCN(CC)S(C)(=O)=O 342932514 FFIJYHQYWJLDMG-UHFFFAOYSA-N 319.427 -0.191 30 20 DBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H](C)NC(N)=O 342981361 BXEBPWRLSDEWSC-VHSXEESVSA-N 317.353 -0.558 30 20 DBED C=CCOC[C@H](NS(=O)(=O)c1cn(C)nc1C)C(=O)OC 344805355 BGXPNQLYWADWPV-JTQLQIEISA-N 317.367 -0.249 30 20 DBED N#CCC1(O)CN(S(=O)(=O)CCOCC(F)(F)F)C1 349532741 DASGKWCDSJSEHX-UHFFFAOYSA-N 302.274 -0.145 30 20 DBED Cc1onc(CC(=O)NCCCN2CCC[C@H]2C(N)=O)c1C#N 354485664 GBQWNPPNLNZJDK-ZDUSSCGKSA-N 319.365 -0.147 30 20 DBED C=C[C@H](CO)NC(=O)C(=O)Nc1ccc(-n2cccn2)nc1 354565341 NAZHBQHURZPULT-SNVBAGLBSA-N 301.306 -0.131 30 20 DBED CCS(=O)(=O)N(C)CCCNC(=O)c1cnn(C)c1C#N 354581932 YCUCYEIUNPWZTB-UHFFFAOYSA-N 313.383 -0.307 30 20 DBED CNc1ccc(C#N)cc1NC(=O)CN1C(=O)C(=O)N(C)C1=O 355648742 DVWHHLCHVSFESO-UHFFFAOYSA-N 315.289 -0.041 30 20 DBED C=CC[C@@H](NC(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1)C(=O)O 400122204 MIMSOJYOZZPZQF-NXEZZACHSA-N 319.383 -0.261 30 20 DBED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2C[C@H](C)NC[C@@H]2C)n1 415575372 XFLXQEIOSMMTHH-QWRGUYRKSA-N 318.381 0.483 30 20 DBED CN1C(=O)CC[C@@H](N[C@H](C(N)=O)c2ccc(C#N)cc2)C1=O 424131376 UYEIQNYGAZTFFU-YPMHNXCESA-N 300.318 -0.178 30 20 DBED CO[C@@H](CNC(=O)C(=O)Nc1ccn(CCC#N)n1)C(C)C 444517101 WNLGLUVJBCYLKX-NSHDSACASA-N 307.354 0.522 30 20 DBED C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCC(=O)N1CCNCC1 518940330 DVEKDSCPNFOTDI-GXTWGEPZSA-N 310.398 -0.301 30 20 DBED C[C@H](C(=O)N(C)CC(=O)N[C@]1(C#N)CCOC1)n1cccn1 547811217 PFIVXDQTFIOFGY-RISCZKNCSA-N 305.338 -0.299 30 20 DBED COc1cc(C#N)ccc1S(=O)(=O)N[C@H](CO)C(=O)O 548205795 MINBFYQKVAPANY-MRVPVSSYSA-N 300.292 -0.709 30 20 DBED CN(C[C@@H](O)CNc1cncc(C#N)n1)c1cncc(C#N)n1 567747712 VLCZAOLUGLGBKL-LBPRGKRZSA-N 310.321 -0.081 30 20 DBED CC[C@H](CNS(C)(=O)=O)NC[C@H](O)CN(C)CCC#N 571633979 GKFWNSGWTMCSAY-NEPJUHHUSA-N 306.432 -0.890 30 20 DBED C=CCC[C@@H](NC(=O)[C@H]1CCS(=O)(=O)N1)C(=O)OCC 593738917 OGJJZBIXUJOYKO-NXEZZACHSA-N 304.368 -0.308 30 20 DBED C=CCOCC(=O)N1CCOC[C@H]1C(=O)NCC(=O)OCC 597647363 XYZMTYHFGQOTLV-NSHDSACASA-N 314.338 -0.904 30 20 DBED N#CCN1CCC(NC(=O)C(=O)N2C[C@@H]3CCC[C@@]3(N)C2)CC1 598684017 JMBCJNKEAHULNF-BLLLJJGKSA-N 319.409 -0.570 30 20 DBED CN1CCN(S(=O)(=O)c2ccc(C#N)c(F)c2)[C@@H](CO)C1 601469195 LKPUUDMGSASSNV-LLVKDONJSA-N 313.354 -0.006 30 20 DBED CCCN1CC[C@H](NC(=O)C(=O)N2CCN(CCC#N)CC2)C1 602291004 GIOOGIODBQUPSC-AWEZNQCLSA-N 321.425 -0.355 30 20 DBED CC#CC[C@@H](CO)NC(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O 645301166 UQZFRRXRTORCSD-AAEUAGOBSA-N 319.365 -0.401 30 20 DBED CC#CC[C@H](NS(=O)(=O)N1CCC(OC)CC1)C(=O)O 656513526 ZQKOXPRGRJILGK-NSHDSACASA-N 304.368 -0.202 30 20 DBED N#CCCNC(=O)CN1CCN(c2ncccc2C(N)=O)CC1 747328881 PQRHDGVVZAKPBZ-UHFFFAOYSA-N 316.365 -0.668 30 20 DBED CC(C)[C@](C)(C#N)NC(=O)CN1[C@H](C)C(=O)N(C)S1(=O)=O 752876563 BUQJPAFLAFDRTF-SKDRFNHKSA-N 316.383 -0.552 30 20 DBED CN(CCC#N)S(=O)(=O)N1CCN(CC[S@](C)=O)CC1 754431197 LDCGIENGYRJLKO-IBGZPJMESA-N 322.456 -0.927 30 20 DBED C#C[C@H](NC(=O)N1CCS(=O)(=O)C[C@H]1C)[C@H]1CCCO1 773559179 ORIJLHUGVCFVIL-GRYCIOLGSA-N 300.380 -0.004 30 20 DBED CNC(=O)CN1CCC(NS(=O)(=O)CC(C)(C)C#N)CC1 777817700 RWBXEHZXCJLUTG-UHFFFAOYSA-N 316.427 -0.334 30 20 DBED C=CCN(CCOC)C(=O)C(=O)NCCS(=O)(=O)CC 804549863 NDQYSGQDVSJUBK-UHFFFAOYSA-N 306.384 -0.802 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2nccnc2C)CC1 825968568 VZMYACRQBVFIJA-UHFFFAOYSA-N 301.350 -0.708 30 20 DBED N#CCNC(=O)COC(=O)Cn1nnnc1-c1ccsc1 829631042 JELCBWXBDFRARI-UHFFFAOYSA-N 306.307 -0.415 30 20 DBED N#C[C@H]1CNC[C@H]1NC(=O)CCN1C(=O)c2ccccc2C1=O 834506354 SGBLOOUSCYLLPD-GXFFZTMASA-N 312.329 -0.100 30 20 DBED C=CCNC(=O)CNC(=O)[C@@H](CO)NC(=O)OC(C)(C)C 860638299 MKTRCHWWSHJANB-SECBINFHSA-N 301.343 -0.710 30 20 DBED C#CCNS(=O)(=O)N1CCN(Cc2nc(C)c(C)[nH]2)CC1 878313608 ARSZEUCVAFWFOQ-UHFFFAOYSA-N 311.411 -0.388 30 20 DBED C#CCN1CCC[C@H](NC(=O)NCCOCC(=O)OCC)C1 884389025 MYEXZRRHYMXRTK-ZDUSSCGKSA-N 311.382 -0.037 30 20 DBED C#CCN1CCC[C@H](NC(=O)N2CCN3CCOC[C@@H]3C2)C1 890366811 FFXLBFFAYPWGBG-GJZGRUSLSA-N 306.410 -0.190 30 20 DBED C#CC[C@@H](CO)NC(=O)N[C@H]1CCN(CC(F)(F)F)C1=O 918096879 ZDFBZPBTYBCUMD-IUCAKERBSA-N 307.272 -0.167 30 20 DBED O=C(N[C@H]1CCN(C(=O)C#CC2CC2)C1)c1cccn2nnnc12 938011313 UWXVVSGUPCNCMO-LBPRGKRZSA-N 324.344 -0.132 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](NC(=O)c2cc(C(N)=O)c[nH]2)C1 938538496 GNMOBHUIISQRSS-SCZZXKLOSA-N 303.322 -0.396 30 20 DBED COc1c(C(=O)N[C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)cnn1C 941942255 MMDWIKFRWUKPSU-VHSXEESVSA-N 305.338 -0.081 30 20 DBED Cn1cncc1C(=O)NC[C@H]1CN(C(=O)C#CC2CC2)CCO1 944658235 OYGFGGFWOKGFKO-ZDUSSCGKSA-N 316.361 -0.209 30 20 DBED C#CCN1CCOC2(CCN(C(=O)c3nccnc3N)CC2)C1 949323162 XVWBIRJSEPORBW-UHFFFAOYSA-N 315.377 -0.001 30 20 DBED C#CCN1CCOC2(CCN(C(=O)[C@H]3COC(=O)N3)CC2)C1 949355438 PJWPBKJMTRLUIG-GFCCVEGCSA-N 307.350 -0.579 30 20 DBED O=C(N[C@H]1CCCN(C(=O)C#CC2CC2)C1)c1c[nH]c(=O)cn1 950762198 USXWPEFFOGOWPY-LBPRGKRZSA-N 314.345 -0.096 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2CCN2C(=O)CC(N)=O)cn1 951376958 MLPIZQDJCDFOFJ-GFCCVEGCSA-N 300.318 -0.731 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H](NC(=O)c2cnn(C)c2N)C1 951868793 WOGRECHCEOWZIP-UWVGGRQHSA-N 304.354 -0.117 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@](C)(NC(=O)c2cn(C)c(=O)n2C)C1 957139406 VOMMMCGXAKGPMB-MEBBXXQBSA-N 319.365 -0.396 30 20 DBED N#CCN1C[C@H](CNC(=O)c2ccnc(C3CC3)n2)[C@@H](O)C1 958449388 UTOYLCMWLFMRMC-AAEUAGOBSA-N 301.350 -0.100 30 20 DBED Cc1nn(C)c(=O)c(C(=O)NC2[C@H]3CN(CC#N)C[C@H]23)c1C 961430505 VAURSDAEJTYJCV-QWRGUYRKSA-N 301.350 -0.419 30 20 DBED Cc1cc(CC(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)no1 961935523 UXAVATPOABJGLI-AXTRIDKLSA-N 306.322 -0.627 30 20 DBED Cc1nnccc1C(=O)NC[C@@H]1COCCN1C(=O)[C@H](C)C#N 964275180 XLFPCINFDQTQFR-ZYHUDNBSSA-N 317.349 -0.098 30 20 DBED N#CCN[C@@H]1CCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1 969936732 HLYWNCLIHFMHDR-MCIONIFRSA-N 320.393 -0.130 30 20 DBED C#CCN(C)[C@@H]1CCN(C(=O)CN2CCCCS2(=O)=O)C1 971953284 RVTKBORHDBWKIZ-CYBMUJFWSA-N 313.423 -0.422 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)[C@H]3OCCO[C@H]3C)C2)C1 972417383 UNLLHQWKZBAFNF-DZKIICNBSA-N 308.378 -0.273 30 20 DBED C[C@H](C#N)C(=O)N1[C@H]2CC[C@H]1CC(NC(=O)Cn1cnnn1)C2 973579849 HYMDUQQQDGYYLS-USWWRNFRSA-N 317.353 -0.529 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)[C@H]3C[C@@H](C)CC(=O)N3)[C@H]2C1 976586530 JPFHUUANUHGYEX-TYZAEGSRSA-N 318.377 -0.366 30 20 DBED Cn1c(C(=O)N[C@H]2[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]32)cnc1O 976947843 XMCFVBKCIGOPPS-YABSGUDNSA-N 314.345 -0.274 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]1CN(C)C(=O)c1cn(C)c(=O)n1C 977889383 YVADWCZVIIIOMO-GHMZBOCLSA-N 319.365 -0.444 30 20 DBED CN(C)CCn1ccc(C(=O)NCC2[C@@H]3CN(CC#N)C[C@@H]23)n1 978180861 OXSNSSZMELDBBF-KBPBESRZSA-N 316.409 -0.124 30 20 DBED C#CCCN1C[C@H]2C(CNC(=O)[C@H]3CC[C@@H](C(N)=O)O3)[C@@H]2C1 978708218 SPVJGGVACDIQQC-XDQVBPFNSA-N 305.378 -0.663 30 20 DBED N#CCN1C[C@@H]2CC[C@H](NC(=O)CN3CC(=O)NC3=O)C[C@H]2C1 980192677 JEPSTPCXPSPVAY-SRVKXCTJSA-N 319.365 -0.722 30 20 DBED C#CCCN1C[C@@]2(C)CN(C(=O)[C@@H]3CNC(=O)N3)C[C@@]2(C)C1 982495778 FHYXESXGCOTKKN-VBNZEHGJSA-N 304.394 -0.139 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)Cc3nc[nH]n3)C[C@@H]2C1 986718377 BIQVISRONOSOJS-UTUOFQBUSA-N 316.365 -0.186 30 20 DBED C=CCn1cccc1C(=O)N1CC(NC(=O)Cn2cnnn2)C1 990184543 FYNQRVLIWDTEHE-UHFFFAOYSA-N 315.337 -0.699 30 20 DBED C=CCn1cc(C(=O)NC2CN(C(=O)[C@H]3CCCO3)C2)nn1 991674633 ALSURHWZQAYNTH-GFCCVEGCSA-N 305.338 -0.416 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@H](NC(=O)Cn2cncn2)[C@@H](O)C1 991803881 MDDPDBDXPPACSX-RYUDHWBXSA-N 321.381 -0.432 30 20 DBED N#CCN1CC[C@]2(NC(=O)Cn3c(O)nnc3O)CCC[C@@H]12 992442341 CAKDYQLEFYFCOZ-NOZJJQNGSA-N 306.326 -0.674 30 20 DBED C#CCN[C@@H]1CCC[C@H]2CN(C(=O)CN3CCNC(=O)C3)C[C@@H]21 992777359 MXEZHBCCLLKIKR-SOUVJXGZSA-N 318.421 -0.732 30 20 DBED O=C(C[C@@H]1CCCS1(=O)=O)NC1CN(C(=O)C#CC2CC2)C1 996549183 CZEZCJSLWVYFDP-ZDUSSCGKSA-N 324.402 -0.306 30 20 DBED CCn1nc(C(=O)NCC2CN(C(=O)[C@@H](C)C#N)C2)ccc1=O 1003675817 WHKMQJJZQLNTNM-JTQLQIEISA-N 317.349 -0.389 30 20 DBED C#CCCN1CCC(N(C)C(=O)CN2C(=O)CNC2=O)CC1 1006377625 PZRRJMJDBHNCNH-UHFFFAOYSA-N 306.366 -0.516 30 20 DBED C#CCCN1CCC[C@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)C1 1009095289 IKXDEOZUZBDIEO-LBPRGKRZSA-N 320.393 -0.079 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCN(Cc3nncn3C)C2)nn1 1015811822 NLKDUHNXBCYRBS-NSHDSACASA-N 316.369 -0.403 30 20 DBED Cc1cnc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2O)cn1 1022966748 JDEWSNDYOUZYNQ-XXILOJSOSA-N 303.322 -0.754 30 20 DBED C[C@@H](C#N)C(=O)N1CCCC[C@@H]1CNCc1nc(=O)n(C)[nH]1 1024902374 PMFJDWQEMQYELX-WDEREUQCSA-N 306.370 -0.261 30 20 DBED C#CCN(C)[C@@H]1CCCN(C(=O)[C@H]2COCCN2C(C)=O)C1 1027688710 NZAFSTCKMMLKKP-HUUCEWRRSA-N 307.394 -0.210 30 20 DBED Cn1nnc2c1C[C@H](C(=O)NC[C@H]1CCN(CC#N)C1)CC2 1028764578 JUDJLVNDGPGUFK-VXGBXAGGSA-N 302.382 -0.118 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2CCN([C@@H](C)C(=O)NC)C2)nn1 1028852469 JNZNJDCZWWKSAX-NWDGAFQWSA-N 320.397 -0.350 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CN(Cc2nc(O)n[nH]2)C1 1031088147 LSLDOBAQVPCSOB-JQWIXIFHSA-N 307.354 -0.208 30 20 DBED C=CCN1CC[C@H](N2CC[C@H](NC(=O)[C@@H]3CCC(=O)N3)C2)C1=O 1032832942 KYZBWKKZXUSQFZ-AVGNSLFASA-N 320.393 -0.758 30 20 DBED CN(C(=O)[C@@H]1CCc2nnn(C)c2C1)[C@H]1CCN(CC#N)C1 1033362320 LOBGNAXBHDVYKF-NEPJUHHUSA-N 302.382 -0.024 30 20 DBED CCC(=O)N1CCC[C@H](C(=O)NC[C@H]2CN(CC#N)CCO2)C1 1035374228 CIZAICCAIOCRFG-KBPBESRZSA-N 322.409 -0.024 30 20 DBED CC#CCN1CCO[C@H](CNC(=O)c2cn(C)c(=O)cn2)C1 1035448692 CQRBKKXAALECHU-GFCCVEGCSA-N 304.350 -0.766 30 20 DBED CC#CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)c1cc(C(N)=O)cn1C 1037487759 RTBAONZMNXSRFU-OSMZGAPFSA-N 300.362 -0.050 30 20 DBED CNC(=O)CCCC(=O)N1CC[C@](O)(CNC(=O)[C@@H](C)C#N)C1 1040760098 FNNHEIOGTIVDIR-NHYWBVRUSA-N 324.381 -0.858 30 20 DBED C[C@H]1C[C@@H]1CC(=O)N1CC(O)(CNC(=O)CSCC#N)C1 1041571415 YMBBWJFYZYZXBP-WDEREUQCSA-N 311.407 -0.021 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)c2nccnc2N)C1 1042803166 SYGOKBOGUMHOGK-UHFFFAOYSA-N 317.349 -0.835 30 20 DBED CCO[C@H](CC)C(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042957984 CRHYMKMAIJAORQ-CYBMUJFWSA-N 308.378 -0.096 30 20 DBED C[C@@H]1CN(C(=O)[C@H]2COC(=O)N2)C[C@H]1Nc1cnc(C#N)cn1 1043154550 BSJFPYGKYAAEMK-FBIMIBRVSA-N 316.321 -0.285 30 20 DBED C=CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)c2cc[nH]c2)C1 1043394704 JIKNBXYAGXIGOS-LLVKDONJSA-N 307.350 -0.091 30 20 DBED Cc1cc(N2C[C@H](O)[C@H](NC(=O)[C@H]3CCOC3)C2)c(C#N)cn1 1043866715 IZPYTUVGDMEDJF-LNSITVRQSA-N 316.361 -0.036 30 20 DBED N#Cc1cnc(N2C[C@H](O)[C@H](NC(=O)c3cscn3)C2)cn1 1043869532 RDFZJPFGYKEEHM-KOLCDFICSA-N 316.346 -0.216 30 20 DBED C[C@@H]1CC[C@H](C(=O)N[C@@H]2CN(c3ccnc(C#N)n3)C[C@@H]2O)O1 1044580864 GOCHSRJIMJQGPS-WISYIIOYSA-N 317.349 -0.419 30 20 DBED C#CCN[C@H]1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)[C@@H](C)C1 1044761916 CPHCQHKABCGIOC-RYUDHWBXSA-N 318.377 -0.700 30 20 DBED C#CCN[C@H]1CCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)[C@@H](C)C1 1044762100 DNTAWPMFRYKJOB-QWRGUYRKSA-N 320.349 -0.991 30 20 DBED CC#CCCCC(=O)NCC1(O)CN(C(=O)Cn2cncn2)C1 1044998287 ANIRDLCKQBCUGK-UHFFFAOYSA-N 319.365 -0.839 30 20 DBED C[C@H]1C[C@@H](C(=O)NCC2(O)CN(C(=O)[C@H](C)C#N)C2)CCN1C 1045148300 QDYIVFFWVFZLIE-AGIUHOORSA-N 322.409 -0.434 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)CN2CCC[C@H]2C)C1 1045552177 QKZHNQGLLMCTSP-NWDGAFQWSA-N 308.382 -0.680 30 20 DBED Cc1cncc(CC(=O)N2CC(O)(CNC(=O)[C@@H](C)C#N)C2)c1 1045560782 ZSDYEOULFOTCHH-LBPRGKRZSA-N 316.361 -0.218 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1046820287 IMYXICWANWNRKL-KGLIPLIRSA-N 318.373 -0.320 30 20 DBED C#CCN1C[C@H]2C[C@H](NC(=O)c3nnc(O)nc3O)C[C@H]1C2 1047104713 ZPCUFXURVISDHV-LPEHRKFASA-N 303.322 -0.501 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCN2C(C)=O)C1 1047639103 FPUDBOUWVQXTSS-ILXRZTDVSA-N 307.394 -0.476 30 20 DBED C=CCOCC(=O)N(C)[C@H]1CN(C(=O)c2cnn(C)c2)C[C@@H]1O 1048551618 MKNWABJLLOSZNF-STQMWFEESA-N 322.365 -0.734 30 20 DBED C#CCCCC(=O)N(C)[C@H]1CN(C(=O)CC(=O)N(C)C)C[C@@H]1O 1048754219 NGZSIVPEJSPSQH-STQMWFEESA-N 323.393 -0.702 30 20 DBED C=C[C@](C)(O)CC(=O)N(C)[C@H]1CN(C(=O)[C@@H](C)OC)C[C@@H]1O 1048757678 LXAXLWFAHQCZEM-YXMPFFBPSA-N 314.382 -0.622 30 20 DBED C=CCN1C[C@H]2CN(C(=O)Cn3ccc(O)nc3=O)C[C@H]2C1 1048922711 DEPNTSSPJKZLIU-TXEJJXNPSA-N 304.350 -0.475 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cncn2C)C1 1049043732 RGHLTXIBUWXDQN-STQMWFEESA-N 322.365 -0.734 30 20 DBED C[C@@H]1[C@@H](NC(=O)c2cnnn2C)CCN1c1cnc(C#N)cn1 1050211532 LTQCUUGHBCYVIS-KOLCDFICSA-N 312.337 -0.126 30 20 DBED N#CCN1CCC2(CC1)CN(C(=O)c1nnc(O)nc1O)C2 1050579937 AMTAOGVAZKCOOK-UHFFFAOYSA-N 304.310 -0.656 30 20 DBED C=CCN1CCOC[C@@H]1CNC(=O)[C@H]1CCc2nncn2C1 1051255486 QLNFKENRDRAYAS-STQMWFEESA-N 305.382 -0.157 30 20 DBED CC#CCN1CCN([C@H]2CCN(C(=O)[C@H]3COCCO3)C2)CC1 1051989010 BJVJONDQPNJKGA-JKSUJKDBSA-N 321.421 -0.356 30 20 DBED C=CCN1CC2(C1)CN(C(=O)c1cn(C)c(=O)n1C)CCO2 1053543561 GJPCSIZNRPKFFP-UHFFFAOYSA-N 306.366 -0.563 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@](CO)(NC(=O)C2=COCCO2)C1 1055737855 DDVYLVJRYFZMDF-IAQYHMDHSA-N 323.349 -0.496 30 20 DBED CN1C[C@H](C(=O)N2CCN(c3ccncc3C#N)CC2)NC1=O 1055975040 XFWSEYDDKVTHOG-GFCCVEGCSA-N 314.349 -0.375 30 20 DBED N#Cc1nccnc1N1C[C@H]2C(NC(=O)Cn3cccn3)[C@@H]2C1 1056140515 IBKYRZBWMPFKAV-GHMZBOCLSA-N 309.333 -0.204 30 20 DBED C=CCOCC(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)CNC(N)=O 1056313474 BEWBNCYJNKFGDQ-VXGBXAGGSA-N 324.381 -0.551 30 20 DBED N#Cc1ccc(N[C@@H]2CCN(C(=O)CN3CCCC3=O)C2)nn1 1056579941 YZAVPOAWXHWJIW-GFCCVEGCSA-N 314.349 -0.017 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)NC2)C1 1056818053 SIDHMMLPTTXJDX-DGCLKSJQSA-N 313.361 -0.086 30 20 DBED C=CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)COCCC 1057143002 SERQCMLJTLJQHP-ZDUSSCGKSA-N 316.398 -0.059 30 20 DBED C=CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)[C@@H](C)COC 1057192459 UMENLAYIELIZLE-STQMWFEESA-N 316.398 -0.203 30 20 DBED N#Cc1cnc(N2CCC[C@H](NC(=O)[C@H]3COC(=O)N3)C2)cn1 1058151868 FKEFSZCAULLDSN-GXSJLCMTSA-N 316.321 -0.458 30 20 DBED N#Cc1ccc(N2CC[C@@H](NC(=O)c3cc[n+]([O-])cc3)C2)nn1 1058277068 XTCFGJIRZKPTPT-CYBMUJFWSA-N 310.317 -0.010 30 20 DBED CCn1ncc(C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N)n1 1058653604 ZWBXSZOHKSTGBQ-JTQLQIEISA-N 308.342 -0.992 30 20 DBED C#CCCCCC(=O)NCCN(CCO)C(=O)Cn1cncn1 1058884416 SHOYLQULAIHVEU-UHFFFAOYSA-N 321.381 -0.591 30 20 DBED N#Cc1cnc(N[C@H]2C[C@@H](NC(=O)[C@@H]3CCCNC3=O)C2)cn1 1059740388 LNTRZRRNDXXTRP-JFGNBEQYSA-N 314.349 -0.066 30 20 DBED N#Cc1cccnc1N[C@H]1C[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1 1059802471 FJWRGRHEWZDLTN-AXFHLTTASA-N 300.322 -0.306 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCOC[C@H]1CNC(=O)c1cn[nH]c1 1061331630 LRNOQJFZTNYWGN-WCQYABFASA-N 320.349 -0.595 30 20 DBED C#CCCCC(=O)NC[C@H]1COCCN1C(=O)CNC(C)=O 1061535372 CWVFZRPHMIQXOH-ZDUSSCGKSA-N 309.366 -0.730 30 20 DBED C=CCCOCC(=O)N1CCOC[C@H]1CNC(=O)c1cnon1 1061806168 IILFNTJJZCPDSY-LLVKDONJSA-N 324.337 -0.381 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)CCc1cnn[nH]1 1061912000 MQUXBLBATMQZQU-JQWIXIFHSA-N 320.353 -0.759 30 20 DBED C[C@H](NC(N)=O)C(=O)NC[C@H]1CCCCN1C(=O)C#CC1CC1 1062201246 MLDPDJYQWKVOFW-WCQYABFASA-N 320.393 -0.046 30 20 DBED C#CCOCCC(=O)NCC1(NC(=O)[C@H]2COC(=O)N2)CCC1 1063038599 MMTAIQAEZKWAEX-LLVKDONJSA-N 323.349 -0.710 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)[C@H](C)NC(C)=O)CCO1 1064815587 YNSWUDNHXCGFIC-WCQYABFASA-N 311.382 -0.179 30 20 DBED C=CCOCCCC(=O)N1CCO[C@H](CNC(=O)COC)C1 1065013765 MLKVKXFKFFFUGW-CYBMUJFWSA-N 314.382 -0.041 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H]1CN(C(=O)/C(C)=C/C)CCO1 1065027380 KUUTUSIJJKBTIZ-YQJFHSMKSA-N 321.377 -0.564 30 20 DBED C#CCCCC(=O)N1CCO[C@H](CNC(=O)CNC(C)=O)C1 1065099008 BWRDCUDOWLRPPV-CYBMUJFWSA-N 309.366 -0.730 30 20 DBED C#CCO[C@H](C)C(=O)N1CCO[C@H](CNC(=O)C#CC2CC2)C1 1065153863 DMDFVXGYOGURCU-UKRRQHHQSA-N 318.373 -0.218 30 20 DBED C[C@@]1(NC(=O)[C@@H]2COC(=O)N2)CCN(c2ccnc(C#N)n2)C1 1065251159 RHRHZNDLRGSXJB-LKFCYVNXSA-N 316.321 -0.458 30 20 DBED C[C@H]1CN(C(=O)Cc2nc[nH]n2)C[C@@H]1N=c1cc[nH]c(C#N)n1 1067144069 IFZKGRFPIYAWIV-UWVGGRQHSA-N 312.337 -0.610 30 20 DBED N#Cc1cncc(N2C[C@@H](O)[C@@H](CNC(=O)c3cccnc3)C2)n1 1067642610 GXHHSFBYONSSFZ-GXTWGEPZSA-N 324.344 -0.030 30 20 DBED CNC(=O)CC(=O)NC[C@H]1CCC2(CN(C(=O)[C@H](C)C#N)C2)O1 1068562675 CHHONLUXJGOCQC-GHMZBOCLSA-N 322.365 -0.842 30 20 DBED COCC(=O)N[C@H]1COC2(C1)CN(C(=O)c1c[nH]c(C#N)c1)C2 1068651699 DPEUWDRDIFKHEV-GFCCVEGCSA-N 318.333 -0.368 30 20 DBED C#CCN1CCN([C@@H]2CCCN(C(=O)[C@@H](C)C#N)C2)C(=O)C1 1071259123 YXNSTCMJUAKHFY-UONOGXRCSA-N 302.378 -0.086 30 20 DBED C#CCN1C[C@H](NC(=O)CN2CCCS2(=O)=O)CC[C@H]1C 1071549815 UKSMICMMOJTKJC-CHWSQXEVSA-N 313.423 -0.376 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(C(=O)CCNC(N)=O)C[C@H]1C 1072066650 ONSOTSCYJPGFAT-VXGBXAGGSA-N 308.382 -0.189 30 20 DBED Cn1ccc(=O)c(C(=O)NC[C@@H]2CN(CC#N)CCCO2)c1 1073691074 PKLVTNQXIVAHNV-GFCCVEGCSA-N 304.350 -0.270 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)Cn1ccnc1 1076219995 LEJBBXRINYXOCH-LBPRGKRZSA-N 319.365 -0.966 30 20 DBED C=CCN1C[C@@H]2CCN(C(=O)CN3CC(=O)N(C)C3=O)[C@@H]2C1 1076455882 DELUUEMZWJVVDT-NWDGAFQWSA-N 306.366 -0.401 30 20 DBED C#CCOc1ncccc1C(=O)N[C@@H]1CN(C[C@H](C)O)C[C@H]1O 1078027642 ANPIBNWCLSUXRO-IACUBPJLSA-N 319.361 -0.751 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)Cn2c(=O)oc3ccccc32)C1 1078163226 BTKDUHUYZIHVLQ-DGCLKSJQSA-N 315.329 -0.611 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)C(C)(F)F)C[C@H]1O 1081344140 MRRJDBKCGVEGOH-NXEZZACHSA-N 306.309 -0.220 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2n[nH]cc2C)C[C@@H]1O 1081346586 KAGQXCPSXGIIBM-NEPJUHHUSA-N 322.365 -0.530 30 20 DBED C#CCCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cn(C)nn2)C1 1081453226 RQZMQYODBJRGDH-WCQYABFASA-N 319.365 -0.832 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)c2cnco2)C[C@H]1O 1081463282 KZHUZLVFHKPSOK-VXGBXAGGSA-N 305.334 -0.117 30 20 DBED Cn1nccc1C(=O)N1C[C@@H](O)[C@H](CNC(=O)C#CC2CC2)C1 1081471454 NQSBNNWVOXLEBJ-TZMCWYRMSA-N 316.361 -0.617 30 20 DBED Cn1cncc1C(=O)N1C[C@H](O)[C@H](CNC(=O)C#CC2CC2)C1 1081473300 FQSKMHNXYAXSRL-OCCSQVGLSA-N 316.361 -0.617 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2nonc2C)C1 1081579532 BRRUPLAOGZHARD-MNOVXSKESA-N 308.338 -0.107 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CCCCN1C(=O)c1nnn(C)n1 1082225750 ZZRAFGJHNNXXLV-ZJUUUORDSA-N 305.342 -0.519 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(C[C@@H](C)O)C[C@H]2OC)nc1 1082333623 RCTGMZJPUMYWSM-KCPJHIHWSA-N 303.362 -0.127 30 20 DBED N#CCN1CC[C@@H]2CN(C(=O)CN3CCCS3(=O)=O)[C@@H]2C1 1084388948 MFDCHXQUKBIVEA-VXGBXAGGSA-N 312.395 -0.922 30 20 DBED CC#CCN1CC[C@@H]2CN(C(=O)[C@H]3CCS(=O)(=O)N3)[C@@H]2C1 1084838283 BHNAQEKTQUVNLK-JHJVBQTASA-N 311.407 -0.766 30 20 DBED CC1(C)[C@H](NC(=O)Cn2ncnn2)[C@H]2CCCN(CC#N)[C@H]21 1087286460 RDPGOFJNUWDNEE-RAIGVLPGSA-N 303.370 -0.198 30 20 DBED C=CCN1CC[C@H](N[C@@H]2CCCCCN(C(=O)C(N)=O)C2)C1=O 1088372038 VVRSSVYYRLTDJK-OLZOCXBDSA-N 322.409 -0.381 30 20 DBED C=CCn1cc(C(=O)N2CCCCC[C@H](NCC(N)=O)C2)nn1 1088395834 RGMZBXLZSLEFSR-LBPRGKRZSA-N 320.397 -0.076 30 20 DBED C#CCN1CC[C@H](NC(=O)C2CC3(C2)NC(=O)NC3=O)[C@H]1C 1088915192 NSCBRJZLJYWYPO-VQEBWTGLSA-N 304.350 -0.813 30 20 DBED CNC(=O)CC(=O)N[C@H]1CC[C@@H](C)N(c2cncc(C#N)n2)C1 1089129021 KFEHATMFXOFIJE-MNOVXSKESA-N 316.365 -0.042 30 20 DBED N#CCN1C[C@H](NC(=O)[C@@H]2CNC(=O)N2)CC2(CCOCC2)C1 1089952642 KYSLVZAIKJGUPW-NEPJUHHUSA-N 321.381 -0.821 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2ccc3c(c2)NC(=O)C3)[C@@H](O)C1 1090278039 ANXFOWCWFCBFMY-OCCSQVGLSA-N 314.345 -0.130 30 20 DBED C#CCN1CC[C@H](NC(=O)Cn2nnc3c2CCCC3)[C@@H](O)C1 1090573359 LXDUSUNFVOMDQB-ZFWWWQNUSA-N 317.393 -0.659 30 20 DBED C=CCCCC(=O)N[C@@H]1CN(c2nccn3nnnc23)C[C@@H]1O 1091181090 SRHCCRHHQWJXSH-MNOVXSKESA-N 317.353 -0.459 30 20 DBED N#Cc1nccnc1N1C[C@@H]2C(NC(=O)CCn3ccnn3)[C@H]2C1 1093260733 PCBADQRGGAJOFZ-QWRGUYRKSA-N 324.348 -0.419 30 20 DBED N#CCN1CC(OC2CCN(C(=O)[C@H]3CCCC(=O)N3)CC2)C1 1093545150 WDROPWCPGCSAMO-CQSZACIVSA-N 320.393 -0.130 30 20 DBED CC#CCN1CC(N2C[C@H](NC(=O)c3cc(C)[nH]n3)CC2=O)C1 1094712026 SGZACOFUNZOLNZ-GFCCVEGCSA-N 315.377 -0.244 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)[C@@]34COC[C@@H]3C4)CC2=O)C1 1094740517 PHNNQHRZVLLYPC-MKBNYLNASA-N 303.362 -0.943 30 20 DBED C=CCCN1CC(N2C[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)CC2=O)C1 1094786953 HLUZBCGPEKCOMR-RTXFEEFZSA-N 320.393 -0.915 30 20 DBED N#CCN1CC(N2C[C@@H](NC(=O)C[C@H]3CCCOC3)CC2=O)C1 1094816351 AGJHZEXCYWYXKQ-OLZOCXBDSA-N 320.393 -0.272 30 20 DBED Cn1ccc(=O)c(C(=O)NCCCN=c2cc[nH]c(C#N)n2)c1 1094896299 CHHDYQSSDRIRNE-UHFFFAOYSA-N 312.333 -0.299 30 20 DBED CN(CCCNC(=O)[C@@H]1CC[C@@H]1C(N)=O)c1nccnc1C#N 1095696425 AJNOKVYGXPSUCS-WDEREUQCSA-N 316.365 -0.198 30 20 DBED CNC(=O)C1(C(=O)N[C@H]2CCN(c3cncc(C#N)n3)C2)CC1 1096396429 XNXUTOYLXLQOHS-JTQLQIEISA-N 314.349 -0.431 30 20 DBED CC[C@H](NC(C)=O)C(=O)N[C@H]1CCN(c2nccnc2C#N)C1 1096485369 HMPRDYOJWXQVLL-RYUDHWBXSA-N 316.365 -0.042 30 20 DBED N#Cc1nc(=N[C@H](CNC(=O)Cn2ccnc2)C2CC2)cc[nH]1 1096683549 NINBNZKUTMFTLM-GFCCVEGCSA-N 311.349 -0.026 30 20 DBED N#Cc1cnc(N2[C@H]3CC[C@H]2CC(NC(=O)CC(N)=O)C3)cn1 1097118975 YOOPTLUOVCFJQI-RYUDHWBXSA-N 314.349 -0.160 30 20 DBED C[C@H](CNC(=O)[C@H]1CCCNC1=O)Nc1cncc(C#N)n1 1098121185 VVMCAUSDQOXYER-KOLCDFICSA-N 302.338 -0.209 30 20 DBED C#CCN(CCO)C1CCN(C(=O)CCCn2ccnn2)CC1 1098389729 KZNPSBXPOCFEAY-UHFFFAOYSA-N 319.409 -0.023 30 20 DBED C#CCNCc1cn([C@@H]2CCN(C(=O)c3cnnn3C)C2)nn1 1098667343 XVFLSSKIHBIWCW-GFCCVEGCSA-N 314.353 -0.783 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(Cc2cnnn2C)C[C@H]1O 1099740366 BYQLFTZVQPKFHD-CHWSQXEVSA-N 309.370 -0.931 30 20 DBED COCC#CCN1CC[C@H](NC(=O)Cc2cc(C)[nH]n2)[C@@H](O)C1 1099760010 CEAYDJLVYCPUMC-GJZGRUSLSA-N 320.393 -0.538 30 20 DBED C=C(Cl)CN1CC[C@@H](NC(=O)C2(C(=O)NC)CC2)[C@@H](O)C1 1100033595 IIVPSNGOHOVFRS-MNOVXSKESA-N 315.801 -0.184 30 20 DBED CN(CCNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc(C#N)nc1 1100227555 ZMQVZLWKCCUNIF-LLVKDONJSA-N 322.390 -0.060 30 20 DBED CN1C[C@H](C(=O)NCCN(C)c2ccncc2C#N)NC1=O 1100255386 NJFOYHKRDZZBBQ-LLVKDONJSA-N 302.338 -0.471 30 20 DBED C[C@H](C(=O)NCCN(C)c1cncc(C#N)n1)[C@@H]1CCC(=O)N1 1100334143 TWWKATGZZQYZGM-JQWIXIFHSA-N 316.365 -0.185 30 20 DBED C[C@@H](CC(N)=O)C(=O)NC[C@@H]1CCN(c2cnc(C#N)cn2)C1 1101035458 FGORFQVAACDXFF-QWRGUYRKSA-N 316.365 -0.198 30 20 DBED CCCN(CCNC(=O)[C@@H]1COC(=O)N1)c1cncc(C#N)n1 1101132511 PXGKBZCIWYRNOD-NSHDSACASA-N 318.337 -0.211 30 20 DBED C[C@@H](CC(N)=O)C(=O)N(C)[C@H]1CCN(c2ccc(C#N)nn2)C1 1102752323 FFEZQMBPJBJCMT-JQWIXIFHSA-N 316.365 -0.103 30 20 DBED COC[C@H](OC)C(=O)NC[C@@H](C)CN=c1cc[nH]c(C#N)n1 1104200154 NTVZKPVLFQTQDM-QWRGUYRKSA-N 307.354 -0.404 30 20 DBED C=CCNCc1cn(C2CN(C(=O)[C@@H]3COCCN3C)C2)nn1 1105215758 IMMBDBJPKBKWMZ-AWEZNQCLSA-N 320.397 -0.732 30 20 DBED N#Cc1nc(=NC[C@H]2CCC[C@H]2NC(=O)CC(N)=O)cc[nH]1 1105651932 OFRAEXWVUZIJNV-NXEZZACHSA-N 302.338 -0.658 30 20 DBED N#Cc1nc(=NC[C@H](O)CNC(=O)C2CC(F)(F)C2)cc[nH]1 1105785839 COZFDLPQCLHELE-VIFPVBQESA-N 311.292 -0.296 30 20 DBED N#Cc1cncc(NC[C@H](O)CNC(=O)Cn2ccnc2)n1 1105881812 AEZKXTISCPRUFO-NSHDSACASA-N 301.310 -0.866 30 20 DBED Cc1nonc1C(=O)NC[C@H](O)CNc1ncc(C#N)cc1F 1105884677 ODDVHFYAIMJBKI-SECBINFHSA-N 320.284 -0.013 30 20 DBED CCn1cnc(C(=O)NC[C@H](O)CNc2ccc(C#N)nn2)c1 1105916699 TYVCRCJXASQHIM-LLVKDONJSA-N 315.337 -0.233 30 20 DBED N#Cc1cnc(NC[C@@H](O)CNC(=O)c2cncnc2O)cn1 1106007908 XCYFEBBKFFJRDZ-SECBINFHSA-N 315.293 -0.953 30 20 DBED Cn1cncc1C(=O)NC[C@H](O)CN=c1cc[nH]cc1C#N 1106011244 MJBZEFMILPNZJL-LLVKDONJSA-N 300.322 -0.689 30 20 DBED N#Cc1cnc(NC[C@@H](O)CNC(=O)[C@@H]2CCNC2=O)c(F)c1 1106051241 CQBSZGAFENZZGO-NXEZZACHSA-N 321.312 -0.883 30 20 DBED Cc1cc(=NC[C@@H](O)CNC(=O)[C@H](C)CC(N)=O)c(C#N)c[nH]1 1106060561 XKROLVBXBGATFH-BXKDBHETSA-N 319.365 -0.916 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)[C@@H]2[C@H]3COC[C@H]32)nn1 1106062913 OFRYOLKFBDNQQJ-MEWQQHAOSA-N 303.322 -0.870 30 20 DBED Cc1cc(=NCC[C@@H](C)NC(=O)[C@@H]2CNC(=O)N2)c(C#N)c[nH]1 1106544327 ZGECUHMMWAYODI-RNCFNFMXSA-N 316.365 -0.328 30 20 DBED C#CCOCCC(=O)NC/C=C/CNc1ccc2nnnn2n1 1107343633 CUSJKKSELFRFRU-ONEGZZNKSA-N 315.337 -0.357 30 20 DBED C[C@H](CNc1ncccc1C#N)NC(=O)C[C@H]1CC(=O)NC1=O 1107826266 YHOTUWLYGYCSEI-KOLCDFICSA-N 315.333 -0.077 30 20 DBED C[C@H](CNc1cnc(C#N)cn1)NC(=O)CCN1CCOCC1 1107834656 NMTWKMHNESFLCM-GFCCVEGCSA-N 318.381 -0.013 30 20 DBED Cn1cnnc1COCC(=O)NC[C@]1(C)CN(CC#N)CCO1 1108313333 BGEQNSXNPANIHA-CQSZACIVSA-N 322.369 -0.938 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)[C@H]2CCCCN2C(N)=O)C1 1108334520 MJMMVIXSIZGDQA-CJNGLKHVSA-N 322.409 -0.240 30 20 DBED CC(C)C[C@H](C(N)=O)C(=O)NC[C@]1(C)CN(CC#N)CCO1 1108446134 YJSOQVSFYZOVOF-IUODEOHRSA-N 310.398 -0.135 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)CN(C)CCC)CC2=O)C1 1108587491 OQUWQWKWZQFUGC-CYBMUJFWSA-N 308.426 -0.085 30 20 DBED COCC#CCN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1cnnn1)C2 1108610135 FGCUBBKZPVGEQN-IHRRRGAJSA-N 318.381 -0.708 30 20 DBED C[C@H](CN(C)c1cnc(C#N)cn1)NC(=O)[C@H]1CCCC(=O)N1 1109131175 CTZVPEWBQWBDKI-ZYHUDNBSSA-N 316.365 -0.042 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1csnn1 1109570094 VEDTZBKSONDYKQ-SCVCMEIPSA-N 319.390 -0.377 30 20 DBED N#Cc1nccnc1NC[C@@H](NC(=O)CNC(N)=O)C1CC1 1109754078 RFKBMBRACWRZIL-SNVBAGLBSA-N 303.326 -0.677 30 20 DBED CC(=O)NCC(=O)N[C@H](CN=c1cc[nH]cc1C#N)C1CC1 1109781233 OOKWUYWPXYJODA-CQSZACIVSA-N 301.350 -0.182 30 20 DBED CC(=O)N[C@@H](C)C(=O)N(CCO)CCNc1ccc(C#N)cn1 1111413873 LISVUXUARZBWDX-NSHDSACASA-N 319.365 -0.289 30 20 DBED CC(=O)NCC(=O)NC[C@@H]1COCCN1c1ncccc1C#N 1111649807 VECYXPRIXUSHFW-CYBMUJFWSA-N 317.349 -0.589 30 20 DBED C[C@H]1CN(C(=O)CCNC(N)=O)C[C@H]1N=c1cc[nH]c(C#N)n1 1112312318 FLKPGANVJIWEHJ-VHSXEESVSA-N 317.353 -0.913 30 20 DBED C[C@H](NC(=O)CN1CCOCC1)[C@@H](C)Nc1ccc(C#N)nn1 1112970622 FYKYXCHJXPEXKW-NEPJUHHUSA-N 318.381 -0.014 30 20 DBED C[C@H](NC(=O)Cn1cncn1)[C@@H](C)Nc1cnc(C#N)cn1 1113030647 DWMWILQDZJPYLJ-ZJUUUORDSA-N 300.326 -0.055 30 20 DBED CC#CCN1CCN(C(=O)[C@H](Cc2cnc[nH]2)NC(C)=O)CC1 1113295481 VBVDBCUTXHUJKX-HNNXBMFYSA-N 317.393 -0.376 30 20 DBED C[C@H](CNC(=O)c1cn(C)nn1)N(C)c1nccnc1C#N 1113581487 UOGIFKWUQVISSR-SECBINFHSA-N 300.326 -0.269 30 20 DBED C[C@H](CNC(=O)CCNC(N)=O)N(C)c1ncccc1C#N 1113609339 IJWMAPIKEGUORD-SNVBAGLBSA-N 304.354 -0.047 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@@H]2CN(Cc3cc(C)on3)C[C@@H]12 1114158503 YQBRCONSKOKYDF-CHWSQXEVSA-N 316.361 -0.331 30 20 DBED N#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3ncccc3O)[C@H]2C1 1114165004 ZLLBFQCQKBKUKR-IWIIMEHWSA-N 315.333 -0.913 30 20 DBED C#CCN1C[C@H]2[C@H](NC(=O)CC3(CS(C)(=O)=O)CC3)[C@H]2C1 1114282529 AVXGNMTZENNNQK-IMRBUKKESA-N 310.419 -0.119 30 20 DBED N#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3nccs3)[C@H]2C1 1115007046 CYRBTDHMNXZAMX-IUCAKERBSA-N 305.363 -0.557 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@H]1[C@@H]2CN(CCS(C)(=O)=O)C[C@@H]21 1115333715 ZFIMSMBGKMRBCJ-WUHRBBMRSA-N 316.423 -0.332 30 20 DBED C=CCCN1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 1116346203 PHAGCCHMLKZUIM-CYBMUJFWSA-N 315.439 -0.517 30 20 DBED C#CCNC(=O)CCN1CCC(n2cc(C(N)=O)nn2)CC1 1118901945 DNIIRAYCKVKSTB-UHFFFAOYSA-N 304.354 -0.847 30 20 DBED Cc1cc(C(=O)NC[C@@H](CO)Nc2cncc(C#N)n2)on1 1121062593 UIJJVVLSMIWIOT-JTQLQIEISA-N 302.294 -0.153 30 20 DBED CN1CCC[C@@H]1C(=O)NC[C@@H](CO)Nc1ccc(C#N)nc1 1121241018 LLUSKNOLHMBHTN-UONOGXRCSA-N 303.366 -0.064 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@H](CO)Nc1cncc(C#N)n1 1121405412 NEZRELGWBNJSED-FZMZJTMJSA-N 305.338 -0.436 30 20 DBED CO[C@H](C(=O)NC[C@@H](CO)Nc1nccnc1C#N)C1CC1 1121504307 CYLFWFAMUXTSLT-JQWIXIFHSA-N 305.338 -0.338 30 20 DBED CC[C@H](C(=O)NC[C@H](CO)Nc1ccc(C#N)nn1)N(C)C 1121812659 NTAKZYUVRLZCHN-VXGBXAGGSA-N 306.370 -0.423 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N[C@@H](C)c1nnnn1C 1121821501 BOTYEDZAQYUIPW-QMMMGPOBSA-N 302.360 -0.829 30 20 DBED N#Cc1cnc(N[C@H](CO)CNC(=O)Cc2cnc[nH]2)c(F)c1 1122623745 VMRLGLKDNKCHDW-NSHDSACASA-N 318.312 -0.053 30 20 DBED C[C@H]1[C@H](NC(=O)CC(N)=O)CCCN1c1cnc(C#N)cn1 1123522688 LYCIDFXTUGZNCX-GXSJLCMTSA-N 302.338 -0.303 30 20 DBED CN(C[C@H](O)CNc1ccc(C#N)nn1)C(=O)CC1(O)CCC1 1124278868 QAKMFRQHZHRSGU-GFCCVEGCSA-N 319.365 -0.115 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C[C@@H](O)CNc1cnc(F)cn1 1124519027 GONIMTTYKXAXHY-MNOVXSKESA-N 310.329 -0.115 30 20 DBED C#CCNC(=O)CC(=O)NCCN[C@H](C)C(=O)NC(C)(C)C 1125997582 BIRDFEQYASDQTA-LLVKDONJSA-N 310.398 -0.865 30 20 DBED C#CCOCCC(=O)NCCNCc1noc2c1COCC2 1127023879 UANBSJIOIKBLJI-UHFFFAOYSA-N 307.350 -0.007 30 20 DBED C=CCNC(=O)CNCCNC(=O)CNC(=O)c1ccoc1C 1127956927 PYXJTEBUUGXJTP-UHFFFAOYSA-N 322.365 -0.674 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@H]1CCCCN1C(=O)CC 1128009683 RIRYQNRIRQJYLA-CYBMUJFWSA-N 322.409 -0.767 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](NCC)[C@H](c2cn(C)cn2)C1 1130565174 AVFTXLCDVVSJFM-GXTWGEPZSA-N 317.393 -0.537 30 20 DBED C=C[C@@](C)(O)CC(=O)N1C[C@H]2C[C@@H]3CN(CC(N)=O)C[C@]2(C1)O3 1131219867 FCPREBCNONNKRD-CZPYZCIJSA-N 323.393 -0.900 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@H]2C[C@@H]3CN(CC#N)C[C@]2(C1)O3 1131230156 GNALZNVXDQKERK-IXYNUQLISA-N 303.362 -0.150 30 20 DBED C[C@@H]1CC[C@@H](NC(=O)[C@@H]2[C@H]3COC[C@H]32)CN1CC(=O)NCC#N 1132227929 JJGMCDPDSSNJEX-NTASLKFISA-N 320.393 -0.512 30 20 DBED CNS(=O)(=O)CCC(=O)N1CC[C@@H](C)[C@@H](CNCC#N)C1 1132828288 PSOMKVIYFJPYNV-NEPJUHHUSA-N 316.427 -0.477 30 20 DBED C=CCOCCN[C@@H](C)C[C@H](C)NC(=O)CNC(=O)NC 1134525055 VQPDIWOIDZRTTN-RYUDHWBXSA-N 300.403 -0.009 30 20 DBED CC[C@@]1(C(=O)NC[C@H]2CN(CC#N)CCCO2)CCNC1=O 1149876392 ZDRWVPLCDPVFEL-SWLSCSKDSA-N 308.382 -0.367 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H](C)N(CC)CC(=O)N(C)C 1152854707 BHKLLABXVPULLE-GFCCVEGCSA-N 310.398 -0.959 30 20 DBED COCC#CCNCCCNC(=O)[C@H]1CN2CCC[C@H]2CO1 1158487039 VISQRRUPBHHTPO-LSDHHAIUSA-N 309.410 -0.405 30 20 DBED N#CCNCCN(CCc1ccccc1)C(=O)[C@H]1CNC(=O)N1 1162911184 FVPPSCSSCQHDMV-CQSZACIVSA-N 315.377 -0.148 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)CN2CCCC2)C1=O 1176110274 JJCXZLSZNDXHQD-AWEZNQCLSA-N 308.426 -0.035 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)[C@H]1CCC(=O)N(C)C1 1177026472 SLRJDCKMWDFHOD-STQMWFEESA-N 322.409 -0.911 30 20 DBED CC#CCN1CCO[C@H]2CCN(C(=O)C(=O)NCC3CC3)C[C@@H]21 1177123751 CXTATFCJOJVFTF-GJZGRUSLSA-N 319.405 -0.162 30 20 DBED C=CCCC(=O)N1CC[C@H](NCC(=O)N2CCNC(=O)C2)[C@@H]1C 1178324165 JZWVEWBTYVTYLE-STQMWFEESA-N 322.409 -0.510 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)Cc2cc[nH]n2)C1 1181801879 VIRSQAPNKDKWEL-DGCLKSJQSA-N 303.366 -0.719 30 20 DBED C#CCCCCC(=O)N1CC[C@@H](NCCNS(C)(=O)=O)C1 1182112791 FFASKOKSXLEAJF-CYBMUJFWSA-N 315.439 -0.080 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@@H](NCC(=O)NCCC)C1 1183354290 ZSMSVTWMDYOZCQ-CABCVRRESA-N 320.437 -0.199 30 20 DBED C[C@@H]1CN(C(=O)C2CC(=O)NC(=O)C2)CC[C@H]1CNCC#N 1185283491 PZFOVSRXZDUTSO-MNOVXSKESA-N 306.366 -0.363 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC[C@H]2CN(CCOCCO)C[C@H]21 1187698198 HTVVNRLKPDPISA-SQWLQELKSA-N 312.410 -0.145 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@@H]1CCN(C(=O)Cc2cc[nH]n2)C1 1189507468 AVTVWKSPMSRZCQ-TZMCWYRMSA-N 317.393 -0.377 30 20 DBED C=CCNC(=O)CN1C[C@@H]2CCN(C(=O)[C@H]3CCN(C)C3)[C@@H]2C1 1190157474 KVVUMJRZVVDKKR-SOUVJXGZSA-N 320.437 -0.227 30 20 DBED COCCOCCN1C[C@@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 1192038549 XCKXHZGRZGWNBV-ZIAGYGMSSA-N 322.365 -0.676 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)Cc2n[nH]c(C)n2)C1 1192752474 YRVJKHZGAAQFFO-VXGBXAGGSA-N 309.370 -0.980 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@H](C)NC(=O)c2ccoc2)C1 1193174514 QINNXTSMXXSIDO-IACUBPJLSA-N 319.361 -0.418 30 20 DBED C=CCCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCN(C(N)=O)C2)C1 1194523848 KNTAGOJSWNETCL-BFHYXJOUSA-N 324.425 -0.095 30 20 DBED CC(=O)NCCOCCN1CCCN(C(=O)[C@@H](C)C#N)CC1 1195314631 PSLUEWITGXGYOU-ZDUSSCGKSA-N 310.398 -0.167 30 20 DBED C=C(C)CNC[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)CCCO1 1200583998 XRUYEQGDXNZADI-CYBMUJFWSA-N 316.423 -0.186 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)[C@H]2CO[C@H](C)C2)CC1 1201336377 MSFMDQKFANEJGT-CHWSQXEVSA-N 307.394 -0.259 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CN(CCN2C(=O)CCC2=O)C[C@H]1C 1206662234 DULRZVYTKDUUHC-QJPTWQEYSA-N 306.366 -0.268 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2ccsn2)[C@H](C)C1 1207667036 ZWXVHQDEHQCACV-ZYHUDNBSSA-N 306.391 -0.057 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1CN(CC(=O)NC)C[C@H]1C 1209179134 ZIQIFVWSCJOOAM-KWCYVHTRSA-N 324.425 -0.360 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)/C=C\C2CC2)[C@H](OC)C1 1212090430 TWFYELUPHPGWKN-RLTDIEJQSA-N 319.405 -0.094 30 20 DBED CC#CCN1C[C@@H](NC(=O)CCCn2ccnn2)[C@H](OC)C1 1212390941 JLAZXNNYETXQJM-ZIAGYGMSSA-N 305.382 -0.103 30 20 DBED C=CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)C(F)F)C[C@H]1C 1214017646 IHBNWQFLUHBWNG-RKDXNWHRSA-N 318.324 -0.300 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)c2snnc2C)C[C@H]1C 1214111690 BTEBBQPPRNJLRO-MWLCHTKSSA-N 321.406 -0.354 30 20 DBED C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1N[C@@H]1CCN(C)C1=O 1214177089 LSWIWBSWMJZABJ-IJLUTSLNSA-N 310.423 -0.090 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C2CCCCC2)C1 1219110103 DFYMLZQUQDYAHT-KGLIPLIRSA-N 307.394 -0.523 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)CCSC)C1 1219167397 VSBNRELXIMONIJ-UTUOFQBUSA-N 315.439 -0.409 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(Cc2nc(C)no2)C[C@@H]1O 1219526765 BCLVGSNUGFCNGM-UHIISALHSA-N 310.354 -0.634 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)Cc2ccco2)C1 1220584811 KRKWMBFEZBJFLY-OLZOCXBDSA-N 307.350 -0.714 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(Cc2cn(C)nn2)C[C@@H]1O 1221139956 VZURWYYILXWNFE-OLZOCXBDSA-N 309.370 -0.931 30 20 DBED CN(C)[C@H](C(=O)NC1CCN(CC(=O)NCC#N)CC1)C1CC1 1227818626 XZRYXPCISYTSRN-HNNXBMFYSA-N 321.425 -0.453 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)c2[nH]nnc2C)CC1 1228550037 QQYSDCQTJGVLIF-UHFFFAOYSA-N 306.370 -0.390 30 20 DBED C#CCNC(=O)CC(=O)N(C)C[C@@H]1CCN1CC#CCOC 1233808912 FBQDMUFYHFZYTG-AWEZNQCLSA-N 305.378 -0.692 30 20 DBED C=CCNC(=O)CN1CC[C@H]1CN(C)C(=O)c1cnnc(O)c1 1235603755 XEGLUGAFDSKDGU-LBPRGKRZSA-N 319.365 -0.369 30 20 DBED C[C@@H](C(=O)NCC(=O)NCC#N)c1ccc(S(C)(=O)=O)cc1 1261115694 JNVPPPIUEHYBFP-SNVBAGLBSA-N 323.374 -0.050 30 20 DBED C[C@H](CNC(=O)C(=O)NCC(C)(C)CC#N)S(C)(=O)=O 1261733871 IXYVQYUTRXDODQ-SECBINFHSA-N 303.384 -0.408 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H]1CCN(CC(=O)Nc2ccon2)C1 1318253439 QEHOIPRHKCUCEM-NEPJUHHUSA-N 320.349 -0.158 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)Nc1cnn(CC(=O)N(C)C)c1 1320304329 XISZXTNPPLPSBM-JTQLQIEISA-N 323.353 -0.773 30 20 DBED CC(C)[C@](C)(C#N)NC(=O)CN(C)CCNS(C)(=O)=O 1321805051 XYQNYHKMUUKNGF-LBPRGKRZSA-N 304.416 -0.478 30 20 DBED CC(=O)NC[C@H]1CN(C(=O)C(=O)NCC2(CC#N)CC2)CCO1 1324390347 QVHGDYHAZTVTHX-LBPRGKRZSA-N 322.365 -0.840 30 20 DBED COCC[C@H](CO)NC(=O)C(=O)Nc1cc(C)n(CCC#N)n1 1325146064 NQQILRGZMIFTHT-LLVKDONJSA-N 323.353 -0.443 30 20 DBED CC1(C#N)CCN(C(=O)NCCOCCS(N)(=O)=O)CC1 1328072735 ZABLSYJQNRPPBO-UHFFFAOYSA-N 318.399 -0.373 30 20 DBED N#CCNC(=O)CNC(=O)C(=O)Nc1cncc2ccccc12 1329189776 CFOOAXTVTOCYIQ-UHFFFAOYSA-N 311.301 -0.071 30 20 DBED CCN(CCNC(=O)C(=O)N1CC[C@@](O)(CC#N)C1)C1CC1 1329331407 VSGUPBYAYQXOHC-HNNXBMFYSA-N 308.382 -0.536 30 20 DBED CC1(C)CN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)CCN1 1329453796 OXWGBMARDMVPHZ-CYBMUJFWSA-N 319.409 -0.604 30 20 DBED N#CC[C@@H]1CCCN(C(=O)C(=O)NCCN2CCCC2=O)C1 1330646284 SEHGXLZVOUTCJG-LBPRGKRZSA-N 306.366 -0.123 30 20 DBED O=C(NCC#Cc1ccccc1)C(=O)N1CCC(O)(CO)CC1 1333963249 MHFMHZSMTFGPQM-UHFFFAOYSA-N 316.357 -0.500 30 20 DBED C=C(C)Cn1nnnc1N(C)[C@@H]1CCN(S(C)(=O)=O)C1 1334420745 WVOINMUBCQBVAZ-SNVBAGLBSA-N 300.388 -0.281 30 20 DBED C#CCN(C(=O)C(=O)N1C[C@@](C)(CO)[C@@](C)(CO)C1)C(C)C 1336496755 RAPRQGWSWIODIQ-IYBDPMFKSA-N 310.394 -0.304 30 20 DBED C#CCC[C@@H](O)CNC(=O)NCCN/C(O)=C1/N=CC=CC1=O 1339811552 QELRMCCJZCNVSO-LYZGCBJASA-N 320.349 -0.414 30 20 DBED C#C[C@@H](NC(=O)C(=O)NCCC(=O)OC(C)C)[C@H]1CCCO1 1340279344 QNCZDNXZEMZDNK-VXGBXAGGSA-N 310.350 -0.259 30 20 DBED Cn1nnc(Br)c1C(=O)OCC(=O)NCC#N 1347374173 ZCOOHBSJBHGDFP-UHFFFAOYSA-N 302.088 -0.626 30 20 DBED C=C(C)COCCNC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1352343245 ACPMSXSWLGQJTA-CQSZACIVSA-N 320.393 -0.106 30 20 DBED C[C@@H](C(=O)N1CCC[C@@H](CNC(N)=O)C1)n1cnc(C#N)n1 1361649775 GQBDHIYHLOHIEP-UWVGGRQHSA-N 305.342 -0.382 30 20 DBED Cn1ccnc1N1CCN(c2[nH]c(=O)n(C)c(=O)c2C#N)CC1 1364559659 LZQOICZZHHESKV-UHFFFAOYSA-N 315.337 -0.995 30 20 DBED CCNC(=O)CN1CCC2(CC1)CN(C(=O)[C@@H](C)C#N)CCO2 1368750807 AJWBWRRMNDMWHW-ZDUSSCGKSA-N 322.409 -0.024 30 20 DBED COC(=O)NCC(=O)N[C@@](C)(CNC(=O)[C@@H](C)C#N)C1CC1 1375341016 HEYFQZKDVLOJTK-XPTSAGLGSA-N 310.354 -0.097 30 20 DBED CC(C)S(=O)(=O)CC(=O)NCCN(C)C(=O)[C@@H](C)C#N 1387756706 UJEZLVGRNDOBCR-JTQLQIEISA-N 303.384 -0.456 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1cc2cnccc2[nH]1 1399868681 YNKCGZFHTPYYDF-ONGXEEELSA-N 315.333 -0.071 30 20 DBED CN1CCC(C)(CNC(=O)Cn2cc(C#N)c(O)nc2=O)CC1 1411954284 XCPJXVQTLCCUFK-UHFFFAOYSA-N 319.365 -0.331 30 20 DBED C[C@H](C#N)C(=O)N(C)CCN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 1416680160 CPWYUJPQWZIOOH-OUAUKWLOSA-N 310.354 -0.904 30 20 DBED N#Cc1cn(CC(=O)NCC[C@@H](O)C(F)(F)F)c(=O)nc1O 1417730392 RCZPHVGAJMZODA-SSDOTTSWSA-N 320.227 -0.750 30 20 DBED Cc1nnsc1CNC[C@H](O)CNC(=O)c1cc(C#N)c[nH]1 1420107171 KGHSWUHSAYARCE-JTQLQIEISA-N 320.378 -0.073 30 20 DBED N#Cc1cn(CCNC(=O)c2cnn(CCF)c2)c(=O)nc1O 1434207923 PKTWRCQBFLGXON-UHFFFAOYSA-N 320.284 -0.583 30 20 DBED Cc1c[nH]c(C(=O)NCCN2CCN(C(=O)[C@@H](C)C#N)CC2)n1 1453930453 SMLOSKSSIUIRNA-NSHDSACASA-N 318.381 -0.248 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)C2=COCCO2)C1 1454065193 MGDRFPRPBAOEQV-HZMBPMFUSA-N 309.322 -0.886 30 20 DBED N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@H]2CCOC2=O)c1 1457873989 IUYJBFIADDENOD-NSHDSACASA-N 323.330 -0.732 30 20 DBED Cc1noc(C)c1CCC(=O)NC[C@H](O)CNC(=O)[C@@H](C)C#N 1457976593 AIHLLEAWYLRGJG-CABZTGNLSA-N 322.365 -0.023 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](C1CC1)N(C)C(=O)Cn1cncn1 1487685484 YJIZNPDUUGNAPL-ZYHUDNBSSA-N 304.354 -0.209 30 20 DBED COCCN(CCNC(=O)[C@@H](C)C#N)C(=O)c1cn(C)cn1 1488542505 AXQZBYJTXJRSPT-NSHDSACASA-N 307.354 -0.215 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@@H](CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 1489853637 RIURCTXMHFVLEO-LDMBFOFVSA-N 322.365 -0.810 30 20 DBED CCN(CCNC(=O)[C@@H](C)C#N)C(=O)c1ccc(C(N)=O)cn1 1496937381 HXUHVVHZSDZEAN-JTQLQIEISA-N 317.349 -0.082 30 20 DBED CNC(=O)NCC(=O)N1CCCC[C@@H]1CCNC(=O)[C@@H](C)C#N 1532583660 VHARNHAMBCICFP-NWDGAFQWSA-N 323.397 -0.038 30 20 DBED CON=CC(=O)N[C@@H]1CC(=O)N(C2CC2)[C@H]1c1ccnn1C 1548529997 HDLLMACROZRVBA-QMTHXVAHSA-N 305.338 -0.027 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC[C@H](NC(=O)COCC=C)C1 1566616552 DCCRGKOUJLDIKN-KBPBESRZSA-N 307.394 -0.093 30 20 DBED C[C@@H](CN(C)c1cnc(-c2nn[nH]n2)cn1)NC(=O)[C@@H](C)C#N 1574810801 YDKKFKGHROBALH-IUCAKERBSA-N 315.341 -0.243 30 20 DBED C[C@H]1[C@H](NCC#N)CCN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1 1575901907 RLDXESHQNZZZJK-DTWKUNHWSA-N 300.326 -0.089 30 20 DBED CO[C@H]1COCC[C@@H]1N(C)c1cnc(C#N)c(-c2nn[nH]n2)n1 1579618947 NMOQZTXUDPLDGM-UWVGGRQHSA-N 316.325 -0.232 30 20 DBED C#CC[C@H](NC(=O)c1coc(S(=O)(=O)N(C)C)c1)C(=O)O 1588422391 XDBMGLJKGHWBNB-VIFPVBQESA-N 314.319 -0.264 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@]1(C(=O)O)C[C@@H]1S(C)(=O)=O 1588490210 ISERPZSXNCAZNM-VDDIYKPWSA-N 303.336 -0.971 30 20 DBED C=C1C[C@@H]2CC[C@H](C1)N2C(=O)C(=O)N1C[C@H](O)C[C@@H](C(=O)O)C1 1588644293 NGBURIFNDJJGQX-FVCCEPFGSA-N 322.361 -0.010 30 20 DBED C=CCNC(=O)CN[C@H]1C[C@@H](CNC(=O)[C@H]2C[C@H]2C(=O)O)C1 1588844700 OZPIRNFFWNIOLW-WHOHXGKFSA-N 309.366 -0.506 30 20 DBED N#Cc1ncc(N2CCN(C3CC3)C(=O)C2)nc1-c1nn[nH]n1 1592708490 VDFXQOGZTYRIRW-UHFFFAOYSA-N 311.309 -0.661 30 20 DBED N#Cc1ccc([C@@H](O)C(=O)O[C@@H]2CCN(CC(=O)O)C2=O)cc1 1594617755 KCHJHGMXLYIODP-DGCLKSJQSA-N 318.285 -0.180 30 20 DBED N#CC1(CS(=O)(=O)N[C@@H](CC2OCCO2)C(=O)O)CC1 1601058775 YWXWVHKYDJISHK-QMMMGPOBSA-N 304.324 -0.574 30 20 DBED C#C[C@@H](NC(=O)Nc1nn(C)cc1-c1nn[nH]n1)[C@H]1CCCO1 1602689029 NZMVLDLZRKBCAA-NXEZZACHSA-N 316.325 -0.098 30 20 DBED C=CCOC[C@@H](NS(=O)(=O)CCN1CCOC1=O)C(=O)O 1602915584 XOUVOVXKQXJMBG-SECBINFHSA-N 322.339 -0.986 30 20 DBED N#Cc1cncc(S(=O)(=O)Nc2ncn(CC(=O)O)n2)c1 1605626932 UAKYQHKINUSBFI-UHFFFAOYSA-N 308.279 -0.570 30 20 DBED N#CCN1CCC[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1606350453 WNQUXPFUZOHKOX-JTQLQIEISA-N 300.326 -0.087 30 20 DBED C=C[C@H](O)C(=O)OCCCN1C(=O)CS/C1=C\C(=O)O 1609287469 RCTICXKJJGCOHD-KZSPTFSBSA-N 301.320 -0.032 30 20 DBED N#CC1CN(C(=O)CNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1 1609494505 GIMNVAWHANFLHV-UHFFFAOYSA-N 311.305 -0.422 30 20 DBED C#CCCN1CC[C@@H](NC(=O)[C@H](CCC)S(N)(=O)=O)C1 1698552552 ZZLCKRRCWFTOKY-NEPJUHHUSA-N 301.412 -0.343 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@H]1O 1719085348 DYCIQMWYXQFNMS-FRRDWIJNSA-N 313.398 -0.783 30 20 DBED N#CCSCC(=O)NC[C@H]1CCCN([C@@H]2CCNC2=O)C1 1752777072 JUWOTYJGKMQRKO-VXGBXAGGSA-N 310.423 -0.040 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC[C@@H](CNC(=O)c2cnn[nH]2)C1 1752782497 MRAHZFOEKAJCCE-RYUDHWBXSA-N 318.381 -0.616 30 20 DBED N#CCNC(=O)CN1CCC[C@H](CNC(=O)Cc2ncc[nH]2)C1 1752788275 GFCYYPSDJIIZSP-GFCCVEGCSA-N 318.381 -0.580 30 20 DBED C#CCCNCCNC(=O)[C@H]1CCCN(C(=O)c2nc[nH]n2)C1 1752927165 OOSGADLHIQOERJ-LBPRGKRZSA-N 318.381 -0.614 30 20 DBED C=CCN1CC[C@H](N(C)CCNC(=O)[C@@H]2CCNC(=O)C2)C1=O 1753046103 MKGWKHPXSMGNGU-OLZOCXBDSA-N 322.409 -0.653 30 20 DBED C#CCN1CCN(CCN(C)C(=O)CC2OCCCO2)CC1 1753341814 HZKPJRRFKYQNNL-UHFFFAOYSA-N 309.410 -0.151 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1CN([C@@H](C)c2nnnn2C)C1 1753400677 GECDQJPENUHDHT-IINYFYTJSA-N 308.386 -0.354 30 20 DBED CCN(C(=O)[C@H]1C[C@H]1C(N)=O)[C@H]1CCN(CC#CCOC)C1 1753458463 DZHIGTPSNDNZRN-MJBXVCDLSA-N 307.394 -0.320 30 20 DBED CC[C@H](CNC(=O)[C@@H]1CCCC(=O)N1C)NCC(=O)NCC#N 1753493748 QAOODCUJNKUCGL-NEPJUHHUSA-N 323.397 -0.879 30 20 DBED COCC#CCNC[C@H](O)CNC(=O)[C@@H]1CN2CCC1CC2 1753911024 IUUGPSQSHHIIOD-LSDHHAIUSA-N 309.410 -0.955 30 20 DBED N#CCNC(=O)CN1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1cccc(O)n1 1754422125 WPVAWWPEIRFJSP-OLUVUFQESA-N 315.333 -0.771 30 20 DBED CC#CCN1CCOC[C@H]1CNC(=O)C[C@@H]1CCCC(=O)N1 1754969085 QSLDAWXZMKYMTN-UONOGXRCSA-N 307.394 -0.115 30 20 DBED CC(=O)N1CC[C@](C)(C(=O)NC[C@@H]2COCCN2CC#N)C1 1754972730 NYYXAPJXVLOVKA-HIFRSBDPSA-N 308.382 -0.415 30 20 DBED C[C@H](NC(=O)CCn1cccn1)[C@@H](C)NCC(=O)NCC#N 1755227492 UOGDZJOCZIFUIM-NEPJUHHUSA-N 306.370 -0.604 30 20 DBED C#CCN(C)[C@H](C)CNC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 1755309327 XGZVICYXTWUTQN-OAGGEKHMSA-N 323.437 -0.064 30 20 DBED CN(CC#N)C[C@@H](O)CN(C)C(=O)c1ccc2nc[nH]c2n1 1755801828 JTBHWWMMVAFHHU-SNVBAGLBSA-N 302.338 -0.154 30 20 DBED C=C[C@@](C)(O)CC(=O)N1C[C@H](O)[C@H](NC(=O)Cc2ccoc2)C1 1757168174 ISSLXBDNALLUJD-DVOMOZLQSA-N 322.361 -0.163 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)[C@@H]1CC 1757436997 ZNQDXRFGRNOGCG-RWMBFGLXSA-N 323.393 -0.037 30 20 DBED N#CCC(=O)N1CCCC2(CCN(C(=O)CNC(=N)N)CC2)C1 1809018531 NLBZYIBCURFLLC-UHFFFAOYSA-N 320.397 -0.386 30 20 DBED C#CC(=O)N1CCC(N2CCC(NC(=O)[C@@H](C)CN)CC2)CC1 1834664003 NUTXEPDZZDQIEH-ZDUSSCGKSA-N 320.437 -0.214 30 20 DBED C#CC(=O)N1CC2(CCCN2C(=O)c2nc[nH]c2[N+](=O)[O-])C1 1843390276 HUBKBGPKHAXXLN-UHFFFAOYSA-N 303.278 -0.232 30 20 DBED CC(=O)NCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(C)(C)C#N 1847347925 XMZZHYSACJEUHN-RYUDHWBXSA-N 306.366 -0.126 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)CNC(=O)C(C)(C)C)CC1 55148005 JGVOKDAJEVACGB-UHFFFAOYSA-N 324.425 -0.405 30 20 DBED C[C@H]1CN(S(=O)(=O)N2CCN(CCC#N)CC2)C[C@H](C)O1 78518784 NUCIFXWKCJCWNH-STQMWFEESA-N 316.427 -0.128 30 20 DBED N#C[C@@H]1COCCN1CC(=O)N1CCN(C(=O)C2CC2)CC1 81165721 HYSYIQXFUAKFCD-CYBMUJFWSA-N 306.366 -0.708 30 20 DBED Cn1c(=O)c2c(ncn2CCN2CCC(C#N)CC2)n(C)c1=O 142051886 KOJTVZWDLKCYTO-UHFFFAOYSA-N 316.365 -0.331 30 20 DBED COCCNS(=O)(=O)c1cccc(C/N=C(\N)N(C)C)c1 178576118 SBSORFRTXWLPTJ-UHFFFAOYSA-N 314.411 -0.012 30 20 DBED C#CCNC(=O)c1ccc(N2CCN(CC(=O)NC)CC2)nc1 264842419 HDIKMDTZMPVJOW-UHFFFAOYSA-N 315.377 -0.687 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)Nc1cnn(CC(=O)NC)c1 273941317 KFGHRJRXQFNWCT-SECBINFHSA-N 308.342 -0.559 30 20 DBED N#Cc1ccc(N2CCN(S(=O)(=O)C3COC3)CC2)nc1 276920612 PBHXPRHNEZSGBI-UHFFFAOYSA-N 308.363 -0.196 30 20 DBED C#CCNc1nc(NC[C@@H](C)CO)nc(NC[C@@H](C)CO)n1 286250798 IUWLELQDXDBVCE-GHMZBOCLSA-N 308.386 -0.003 30 20 DBED CC[C@@H]1CN(c2c(C#N)c(=O)n(C)c(=O)n2C)C[C@H](C)[S@]1=O 286274699 HPYFQHRKSDTNCU-UIBAUYSRSA-N 324.406 -0.309 30 20 DBED C#CCNc1nc(N(C)C[C@@H](C)O)nc(N(C)C[C@@H](C)O)n1 292232506 FRVZGWACDFJCEQ-GHMZBOCLSA-N 308.386 -0.449 30 20 DBED CS(=O)(=O)NC[C@@H]1CCCCN1/C(O)=N/[C@@H]1[C@H]2COC[C@H]21 329994826 MNTNNOKPOZMXTA-NNYUYHANSA-N 317.411 -0.051 30 20 DBED C[C@](O)(C/N=C(/O)Cn1ccccc1=O)CN1CCOCC1 330068811 VTBAJOXFVFDWDZ-HNNXBMFYSA-N 309.366 -0.112 30 20 DBED CC(C)C/N=C(/O)NC(=O)CN1CCO[C@H](Cn2cncn2)C1 330642692 DLXXVOJYRJLJCO-LBPRGKRZSA-N 324.385 -0.335 30 20 DBED CCN1C[C@H](C)N(S(=O)(=O)N2CCO[C@H](C#N)C2)C[C@@H]1C 336949499 RSTLRZMFVCKFKU-RWMBFGLXSA-N 316.427 -0.130 30 20 DBED N#CCCCCS(=O)(=O)NCCCN1CCC[C@H]1C(N)=O 345116123 GOKGVHUSIOCBNC-LBPRGKRZSA-N 316.427 -0.061 30 20 DBED C[C@H]1CN(S(=O)(=O)c2cccc(C#N)c2)C[C@@H](C(N)=O)O1 347838203 UUXPFCRWJFIYBD-CABZTGNLSA-N 309.347 -0.178 30 20 DBED C=CCOC[C@H]1NC(=O)N(C[C@H](C)CN2CCN(C)CC2)C1=O 348433095 TUHWFDVDXZDVRI-ZIAGYGMSSA-N 324.425 -0.007 30 20 DBED C=CCNC(=O)CS(=O)(=O)Cc1nnnn1-c1ccccc1 354035705 MWICZXWGBZIPPO-UHFFFAOYSA-N 321.362 -0.121 30 20 DBED C[C@@H](CS(C)(=O)=O)NC(=O)CNC(=O)c1ccc(C#N)cc1 354949895 CJGHANCLDVKOJB-JTQLQIEISA-N 323.374 -0.163 30 20 DBED COCCCS(=O)(=O)NCC(=O)N[C@@]1(C#N)CC1(C)C 427885514 JHMFECWYOCUYKP-GFCCVEGCSA-N 303.384 -0.249 30 20 DBED CN(C(=O)C(=O)N1CCc2ccc(C#N)cc21)[C@@H]1CCNC1=O 433654479 RMBILFCLWKUCMK-GFCCVEGCSA-N 312.329 -0.206 30 20 DBED C[C@@H](CC(N)=O)Nc1ccc(C#N)c(N[C@@H](C)CC(N)=O)n1 436385738 OIPREXBDLGJVJT-IUCAKERBSA-N 304.354 0.305 30 20 DBED CC[C@@H](C)N1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 451970953 MINMTNBDFFCJHI-OLZOCXBDSA-N 316.427 -0.128 30 20 DBED C=CCC[C@@H](CO)NS(=O)(=O)CCCN1CCOCC1 452029523 JUYLFEWVHLKLEM-ZDUSSCGKSA-N 306.428 -0.045 30 20 DBED C=CCC[C@@H](NC(=O)CCn1ncn(C)c1=O)C(=O)OCC 456601294 FVVBXHRVQBCODB-LLVKDONJSA-N 310.354 -0.014 30 20 DBED C#CCNC(=O)CN1CCN(CCn2nc(C)cc2C)CC1 491097056 YWNHWVWGQGDLNM-UHFFFAOYSA-N 303.410 -0.133 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)C[C@H]2CCC(=O)[C@@H]2C)CC1 491729181 FFZGAVADIORRKA-ZIAGYGMSSA-N 319.405 -0.115 30 20 DBED N#C[C@]1(NC(=O)c2cc(N3CCNC(=O)C3)ccn2)CCOC1 527297021 CEYIFZBEHCTZAB-OAHLLOKOSA-N 315.333 -0.570 30 20 DBED CCOC(=O)[C@](C)(O)CN(C)CCCc1[nH]nc(N)c1C#N 547787153 MOLCPCXJQMOZBY-CQSZACIVSA-N 309.370 0.042 30 20 DBED CNS(=O)(=O)N1CCN(C(=O)C2(C#N)CCCC2)CC1 555525420 XKTFEVTWZNYFMO-UHFFFAOYSA-N 300.384 -0.321 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CSC[C@@H]2C)C1=O 561210644 NRNPAPVRYHVRRG-DTWKUNHWSA-N 311.363 -0.169 30 20 DBED Cn1[nH]cnc1=NC(=O)CNS(=O)(=O)c1cccc(C#N)c1 562162875 ACSDCNAQRXCLOT-UHFFFAOYSA-N 320.334 -0.974 30 20 DBED Cc1cc(NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)n[nH]1 563654672 FMODMTFZXKKBNI-UHFFFAOYSA-N 319.346 0.507 30 20 DBED CN(C[C@H](O)CNc1cncc(C#N)n1)c1cncc(C#N)n1 567747711 VLCZAOLUGLGBKL-GFCCVEGCSA-N 310.321 -0.081 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N(CCO)CCC(=O)O 593270014 UNJKKCIBFPLNNA-JTQLQIEISA-N 307.372 -0.518 30 20 DBED C[C@H](CO)C1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)CC1 593644037 LISASQUYKNEZIN-DGCLKSJQSA-N 317.411 -0.204 30 20 DBED CN1C[C@H](C(=O)N2CCN(c3ccc(C#N)cn3)CC2)NC1=O 596886789 QNIDYIVPQXWWDG-GFCCVEGCSA-N 314.349 -0.375 30 20 DBED N#Cc1ccc(C(=O)NCCOCCS(N)(=O)=O)cc1O 598733682 AWOLVCPYHKMOOT-UHFFFAOYSA-N 313.335 -0.701 30 20 DBED COCCN(CC#N)C(=O)[C@H]1CCCN(S(C)(=O)=O)C1 600004360 GPOWRFORIFVUTD-NSHDSACASA-N 303.384 -0.343 30 20 DBED C=CCCNC(=O)N(CC)CC(=O)N[C@H]1CCS(=O)(=O)C1 661571453 DSVDOBHBEHLNRI-NSHDSACASA-N 317.411 -0.103 30 20 DBED C#CCNC(=O)C1CCN(S(=O)(=O)c2c[nH]nc2C)CC1 732219120 WGQNIBDOSIFTHG-UHFFFAOYSA-N 310.379 -0.132 30 20 DBED C#CCNC(=O)COC(=O)c1cc(S(=O)(=O)NC)cs1 748917365 ZABQQTVCRGNGJT-UHFFFAOYSA-N 316.360 -0.438 30 20 DBED COCCNC(=O)[C@@H](C#N)C(=O)c1cncc(C(=O)OC)c1 760198088 RXABUGQDNCLLCC-NSHDSACASA-N 305.290 -0.047 30 20 DBED O=C(C#Cc1ccc2c(c1)OCO2)N1CC[C@@H](CO)[C@@H](O)C1 763265836 KGAKBPDWONGAFP-STQMWFEESA-N 303.314 -0.032 30 20 DBED C=CCS(=O)(=O)CCNC(=O)NCCN1CCOC[C@H]1C 783006041 NCEMLFWKWOKEEQ-GFCCVEGCSA-N 319.427 -0.393 30 20 DBED COC[C@@H](C#N)OC(=O)COc1ccc(S(N)(=O)=O)cc1 785273625 YCXLHWDZYVHJLJ-SNVBAGLBSA-N 314.319 -0.205 30 20 DBED C=C[C@H](O)C(=O)O[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)C(C)C 814546441 CJNDHIQBZKNMRB-SDDRHHMPSA-N 312.366 -0.175 30 20 DBED C=CCOC[C@@H](NC(=O)/C=C1\SCC(=O)N1C)C(=O)OC 822622225 CGODTSHYVQQIJH-DKBJHAQFSA-N 314.363 -0.107 30 20 DBED C=CCOC[C@H](NS(=O)(=O)N(C)C1CCOCC1)C(=O)O 830148418 VMDYAULAYWDKHA-NSHDSACASA-N 322.383 -0.413 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)COCC2CC2)CC1 831556101 HJNNBHUDMVHFBO-UHFFFAOYSA-N 315.395 -0.975 30 20 DBED C#CC(=O)N1CCN(S(=O)(=O)NCc2ccccc2)CC1 846394093 PTWIIKXKFLDEKR-UHFFFAOYSA-N 307.375 -0.202 30 20 DBED C=CCCONC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 856030125 PUSFQCOJTQKJMV-WDEREUQCSA-N 316.379 -0.354 30 20 DBED C#C[C@@H](NC(=O)NCCCS(=O)(=O)NC)[C@@H]1CCCO1 868940796 WFXRNHYZRRDZQP-MNOVXSKESA-N 303.384 -0.594 30 20 DBED N#CCCNC(=O)N[C@@H]1CCCN(CCN2CCOCC2)C1 883656265 WLQKRWQHGJNISN-CQSZACIVSA-N 309.414 -0.004 30 20 DBED C=CCN(CC=C)C(=O)Cn1cc(CN2CCNC(=O)C2)nn1 883997548 ROUCIEHFSJALCX-UHFFFAOYSA-N 318.381 -0.590 30 20 DBED C#CCN1CCC[C@@H](NS(=O)(=O)C[C@H](C)C(=O)OC)C1 885511959 PVRUFCOMYPSLDS-NWDGAFQWSA-N 302.396 -0.188 30 20 DBED C#CCNS(=O)(=O)N1CCN(CC[C@H]2CCOC2)CC1 895920232 HAWUWKDDZDSYGE-ZDUSSCGKSA-N 301.412 -0.502 30 20 DBED C#CCNS(=O)(=O)N1CCN(C[C@@](C)(OC)C2CC2)CC1 895922750 VMIHIUCCIAEANW-CQSZACIVSA-N 315.439 -0.113 30 20 DBED C#CCN1CCC(NC(=O)CCn2cc[nH]c(=O)c2=O)CC1 928658654 XBYMYVZINYDOQK-UHFFFAOYSA-N 304.350 -0.860 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCn3cccc3C2)C1=O 928965979 RKEUBCVJCIFSPI-UHFFFAOYSA-N 316.317 -0.193 30 20 DBED CN(C(=O)c1cnnn1C)[C@H]1CCN(C(=O)C#CC2CC2)C1 937347657 PSCCDYPAWYHTJJ-LBPRGKRZSA-N 301.350 -0.099 30 20 DBED CN(C(=O)c1nnn(C)n1)[C@H]1CCN(C(=O)C#CC2CC2)C1 937349660 IYXVKGNLAPNFFP-NSHDSACASA-N 302.338 -0.704 30 20 DBED O=C(CN1CCCC1=O)N[C@H]1CCN(C(=O)C#CC2CC2)C1 937659128 PIRQMLKRRPPSLM-ZDUSSCGKSA-N 303.362 -0.261 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](N(C)C(=O)c2cnn(C)c2N)C1 939394989 BJYVPOPABXQUOO-NXEZZACHSA-N 304.354 -0.165 30 20 DBED CC(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@@H](C)C#N)C1 941890516 AIEQEPMFOOJNHF-UHTWSYAYSA-N 306.366 -0.126 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)C1 945053077 CQDPBLLKKZQMTL-TUAOUCFPSA-N 318.377 -0.282 30 20 DBED C#CCN1CC[C@H](NC(=O)CN2CC(=O)N(C)C2=O)C[C@@H]1C 947925067 JMQACJUKYYZMHH-RYUDHWBXSA-N 306.366 -0.517 30 20 DBED C[C@@H](C#N)C(=O)N1CCC([C@@H]2CCN(C(=O)C(N)=O)C2)CC1 952307713 NSHPZHRYDJAGDR-CMPLNLGQSA-N 306.366 -0.282 30 20 DBED Cc1ncnc(O)c1C(=O)N(C)C1CN(C(=O)[C@H](C)C#N)C1 955065463 WTGRUGMBDUMOSH-MRVPVSSYSA-N 303.322 -0.067 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@](C)(NC(=O)C2CS(=O)(=O)C2)C1 956987599 BYFVDRPPOUPKII-RNCFNFMXSA-N 313.379 -0.702 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2ncccn2)C1 958936987 ZQVKORZYZXISKH-VWYCJHECSA-N 303.322 -0.720 30 20 DBED CC[C@@H](C(=O)N1CCOC2(C1)CN(C(=O)[C@H](C)C#N)C2)N(C)C 965426027 ZYLROGFZFGUEPC-OLZOCXBDSA-N 322.409 -0.074 30 20 DBED N#CCN[C@@H]1CCN(C(=O)c2cnc3c(c2)NC(=O)CO3)C1 969218348 UFXDKCQNWNWJNG-SNVBAGLBSA-N 301.306 -0.260 30 20 DBED C#CCCN1CCO[C@@]2(CCN(C(=O)[C@@H]3CCC(=O)NC3)C2)C1 972442895 BGLUYJUAXXCBDF-PBHICJAKSA-N 319.405 -0.161 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](CNC(=O)c2cnnc(O)c2)C1 983212611 QSFKMAKUNYHFNA-VHSXEESVSA-N 303.322 -0.080 30 20 DBED C[C@H]1[C@@H](NCC#N)CCN1C(=O)CN1C(=O)NC(=O)C1(C)C 987314345 CKQPKHFVCSYDQH-UWVGGRQHSA-N 307.354 -0.581 30 20 DBED C=CCn1cc(C(=O)N2CC(NC(=O)[C@@H]3C[C@@H]3OCC)C2)nn1 990348716 ZXWDZXREDPMXOB-YPMHNXCESA-N 319.365 -0.170 30 20 DBED CC#CCN1CC[C@@]2(NC(=O)CN3CCNC(=O)C3)CCC[C@@H]12 992108335 PLKACNPFYZCWTG-PBHICJAKSA-N 318.421 -0.445 30 20 DBED C[C@H](C#N)C(=O)N1CC(CNC(=O)c2cc(=O)n(C)cn2)C1 1002843602 NFCBKQVBVSRSDJ-SECBINFHSA-N 303.322 -0.872 30 20 DBED CC(=O)N1CC(C(=O)N2C[C@H]3CC[C@H]2CN3C(=O)[C@H](C)C#N)C1 1007280757 DOXPEBAZSKYWMB-HONMWMINSA-N 318.377 -0.174 30 20 DBED C[C@H]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)CN1C(=O)CC(N)=O 1012408207 OLNGRLIUFRJJEI-KWQFWETISA-N 303.322 -0.519 30 20 DBED C#Cc1cncc(C(=O)N[C@H]2CCN(CC(=O)N(C)C)C2)c1 1015679195 VLSFYOWPTNFEDW-AWEZNQCLSA-N 300.362 -0.045 30 20 DBED Cn1nnc(C(=O)N2CCC3(CN(C(=O)C#CC4CC4)C3)C2)n1 1019011741 WGZFFOZAUIECJO-UHFFFAOYSA-N 314.349 -0.702 30 20 DBED C=CCN[C@H]1C[C@H](NC(=O)CN2CCS(=O)(=O)CC2)C1 1021043373 YUUSOQQEHWSINP-HAQNSBGRSA-N 301.412 -0.860 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)CSC)C[C@H]2O)cn1 1024926915 WGAJJOJTXPCXBV-CHWSQXEVSA-N 319.386 -0.273 30 20 DBED CC#CCN1CC[C@H](CNC(=O)[C@@H]2CN(C(C)=O)CCO2)C1 1028962776 BNYQNOJTTMVWHO-CABCVRRESA-N 307.394 -0.305 30 20 DBED N#Cc1cc(CN2CC(NC(=O)Cn3cnnn3)C2)ccc1F 1030089645 DJDADMRDSZBJRB-UHFFFAOYSA-N 315.312 -0.316 30 20 DBED CC#CCN1CC(NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 1030309831 RRWXZIFDQSYMAC-NSHDSACASA-N 301.350 -0.414 30 20 DBED Cn1nnc(C(=O)NCC2CN(Cc3cccc(C#N)c3)C2)n1 1031904614 HCRSKJZNMHSBJP-UHFFFAOYSA-N 311.349 -0.056 30 20 DBED Cc1nn(CC(=O)N[C@@H]2CCCCN(CC#N)C2)c(=O)n1C 1034508772 IXOCKWXVQAZGMH-GFCCVEGCSA-N 306.370 -0.616 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)c2ccc(C(N)=O)cn2)C1 1035622642 UOLCJNLPGYNYQB-LBPRGKRZSA-N 302.334 -0.756 30 20 DBED C=C(C)CCC(=O)NC[C@]1(O)CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 1040041243 UQTAFLNDFGCNDU-BFQNTYOBSA-N 323.393 -0.456 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC[C@](O)(CNC(=O)c2cnco2)C1 1040389377 YEAVVCMWAXWYRP-GJZGRUSLSA-N 323.349 -0.305 30 20 DBED N#CCN1CCC2(CC1)CCN(C(=O)CN1CCNC(=O)C1)C2 1040801146 RGJWFPGLHHYBCJ-UHFFFAOYSA-N 319.409 -0.744 30 20 DBED Cc1nccc(N2C[C@@H](O)[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)n1 1040961318 FKIBIGSFXVKKQN-CHWSQXEVSA-N 312.333 -0.036 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)[C@H]2CCNC(=O)C2)C1 1042522080 OTUWHDRULXRVBK-LBPRGKRZSA-N 321.377 -0.994 30 20 DBED N#Cc1cc(C(=O)NCC2(O)CN(C(=O)c3ccon3)C2)c[nH]1 1042669420 MIYIOUJCWPHNHS-UHFFFAOYSA-N 315.289 -0.509 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)[C@@H]2CN(C)C[C@@H]2C)C1 1042941601 PJSSFCVHOPUCLX-UONOGXRCSA-N 321.421 -0.467 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)C#CC(C)C)C1 1043040703 WKWFIXLRLKQTOG-ZDUSSCGKSA-N 306.362 -0.626 30 20 DBED N#Cc1cnccc1N1C[C@H](O)[C@H](NC(=O)[C@]2(F)CCOC2)C1 1044425245 CYDAXRGCPAICLX-ZLDLUXBVSA-N 320.324 -0.252 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)c2ccnc(C)c2)C1 1045180896 WYTAWKGKQUYNCS-UHFFFAOYSA-N 319.361 -0.104 30 20 DBED C=C(C)CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC(=O)NC2)C1 1047439712 QKGQEGRLMWGUNS-IHRRRGAJSA-N 309.410 -0.018 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCc3nn[nH]c32)C1 1047505175 CJHLDHJHUFFZPF-UBHSHLNASA-N 317.393 -0.249 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C(=O)NC)nc2)C1 1047599255 NPVCIJCVRXMRPE-KBPBESRZSA-N 316.361 -0.809 30 20 DBED C#CCOCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCO2)C1 1048165529 BUAMQHQPWIQZGD-IHRRRGAJSA-N 324.377 -0.765 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C(=O)C(C)(C)C)C1 1048585553 BVRFUXFIOZSREZ-VWYCJHECSA-N 309.366 -0.209 30 20 DBED CN(C(=O)C#CC1CC1)[C@H]1CN(C(=O)c2cn[nH]c2)C[C@@H]1O 1048821675 XKTDYUGLIGLIDX-STQMWFEESA-N 302.334 -0.533 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cncnc2O)C1 1049011247 PUXOVZLFBITJFA-RYUDHWBXSA-N 320.349 -0.208 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)Cc2cscn2)C[C@@H]1O 1049402087 OHSQQAGDIMXGFK-USWWRNFRSA-N 322.390 -0.125 30 20 DBED COCC(=O)N1CCC(N(CCO)c2cncc(C#N)n2)CC1 1051483852 NPNJSBYADKOXHK-UHFFFAOYSA-N 319.365 -0.216 30 20 DBED N#CCN1CC2(CC[C@H](CNC(=O)[C@@H]3CCC(=O)NC3)O2)C1 1053620481 MYGCWDPGNCLIKP-VXGBXAGGSA-N 306.366 -0.614 30 20 DBED CC(C)N(C)CC(=O)N[C@]1(CO)CCCN(C(=O)[C@@H](C)C#N)C1 1055980837 RGRDAJHHHFRESS-XJKSGUPXSA-N 324.425 -0.044 30 20 DBED N#Cc1nccc(N2C[C@H]3C(NC(=O)c4ccc(O)nn4)[C@@H]3C2)n1 1056114152 NIVOXNMSWYVUGU-RKDXNWHRSA-N 323.316 -0.292 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)[C@H]1CO[C@@H](C)C1 1057198089 ODOMRPNEBINPDU-QWHCGFSZSA-N 314.382 -0.449 30 20 DBED N#Cc1nc(=NC2CCN(C(=O)Cc3nc[nH]n3)CC2)cc[nH]1 1057369604 OQVGQSANLWJCPB-UHFFFAOYSA-N 312.337 -0.466 30 20 DBED C=C[C@](C)(CC)C(=O)NCCN(CCO)C(=O)CC(=O)NC 1057411871 RFTPIYIOQWPNIO-OAHLLOKOSA-N 313.398 -0.338 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)CNC(=O)OC 1057439546 RDCUVGNTDCIASE-UHFFFAOYSA-N 313.354 -0.917 30 20 DBED Cc1cn(C)nc1C(=O)NCCN(CCO)C(=O)C#CC1CC1 1057531464 PQOQHJUTAQEESZ-UHFFFAOYSA-N 318.377 -0.307 30 20 DBED C=C(C)C(C)(C)C(=O)N(CCO)CCNC(=O)c1nnn(C)n1 1058288333 ZMPHZQYESFYHHD-UHFFFAOYSA-N 324.385 -0.637 30 20 DBED CCn1cc(CC(=O)NCCN(CCO)C(=O)[C@@H](C)C#N)cn1 1058657077 PSXPKQQUAUPJGI-LBPRGKRZSA-N 321.381 -0.458 30 20 DBED COc1cccc(C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N)n1 1058657421 YVBRQZOSVSNRKV-NSHDSACASA-N 320.349 -0.199 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@@H]1CCN(C(=O)[C@H](C)OC)C1 1059260302 VVNVUGIVFCUXMX-QWHCGFSZSA-N 323.393 -0.484 30 20 DBED N#Cc1cncc(N[C@H]2C[C@H](NC(=O)[C@@H]3CC[C@H]3C(N)=O)C2)n1 1059369941 HELBCGXGKXKYPP-CNVPUSNMSA-N 314.349 -0.081 30 20 DBED N#Cc1nc(=N[C@H]2C[C@@H](NC(=O)C[C@@H]3CCNC3=O)C2)cc[nH]1 1059738679 CAYHRJJVOIHUCL-GARJFASQSA-N 314.349 -0.645 30 20 DBED N#Cc1ccc(NC[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)C2)nc1 1060972232 GKYIYGPGTUVQAT-RYUDHWBXSA-N 314.349 -0.105 30 20 DBED C=C(C)CCC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1CCNC1=O 1061633709 YEKUVGHECIYEEE-CHWSQXEVSA-N 323.393 -0.178 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CN(C(=O)Cc2ccon2)CCO1 1064997189 QHVSKLRQJPZBPC-ZYHUDNBSSA-N 306.322 -0.280 30 20 DBED C=CCC(CC=C)C(=O)N1CCO[C@@H](CNC(=O)CC(N)=O)C1 1065186759 OIPNPDFLHPYFTN-ZDUSSCGKSA-N 323.393 -0.026 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)[C@@H](C)CC(N)=O)CCO1 1065422163 XJWJEXODQLHQQL-QWHCGFSZSA-N 323.393 -0.499 30 20 DBED CC#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2ccon2)C1 1069899863 BCYUKJBWIZIRLA-OLZOCXBDSA-N 300.322 -0.055 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H]2COCCN2C)C1 1069912218 SLWSWTOOBKGHFK-HZSPNIEDSA-N 320.397 -0.864 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2cncnc2O)C[C@@H]1n1ccnn1 1070215371 USOJVOAFTXMEDR-NEPJUHHUSA-N 313.321 -0.938 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)C[C@@H]4COC(=O)C4)C[C@@]3(C1)O2 1070786830 OWINOSLQTQSEGQ-SZOQZIPDSA-N 318.373 -0.126 30 20 DBED CCn1cnc(C(=O)N2CCC(=O)NCCN(CC#N)CC2)c1 1071015416 CRYVSVPUHHOUFZ-UHFFFAOYSA-N 318.381 -0.309 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CCCN(C(=O)CCn2cnnn2)C1 1071170000 ABOINGQFPRMKBQ-CYBMUJFWSA-N 316.365 -0.416 30 20 DBED C=CCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)CCn2cnnn2)C1 1071790803 LODTUFCWNSNVMT-NEPJUHHUSA-N 306.370 -0.008 30 20 DBED CC(C)C#CC(=O)N1C[C@H](C)[C@@H](NC(=O)Cn2cnnn2)C1 1072035317 KEXWFQHXNIDVNM-RYUDHWBXSA-N 304.354 -0.704 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCN(CCN3C(=O)CCC3=O)C2)C1 1072544856 ZYRPWFUCDLMCCU-LBPRGKRZSA-N 318.377 -0.171 30 20 DBED C=C[C@@](C)(O)CC(=O)NC1(C)CCN(C(=O)CC(N)=O)CC1 1072914322 DFYGKDSFMKFQEX-OAHLLOKOSA-N 311.382 -0.314 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCN(C2CN(C(=O)COC)C2)CC1 1073573139 XWGVXTSDNKTMPU-ZDUSSCGKSA-N 323.393 -0.974 30 20 DBED CC(C)C#CC(=O)N1CC[C@@H](NC(=O)CNC(N)=O)[C@H](C)C1 1073704026 CNSFAOQABLXOKC-VXGBXAGGSA-N 308.382 -0.333 30 20 DBED CC#CCN1CCO[C@@H]2CCN(C(=O)c3ncn(C)n3)C[C@@H]21 1074226573 SJZBICGFWDYSMO-QWHCGFSZSA-N 303.366 -0.246 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)c3cnc(O)n3C)C[C@H]21 1074312771 RRRCBYHCKONWFS-OLZOCXBDSA-N 304.350 -0.326 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(C(=O)Cn2nccn2)[C@@H](C)C1 1074895186 ZSFDPLFBIQLQKI-QWHCGFSZSA-N 321.381 -0.024 30 20 DBED C#CCN1C[C@@H]2CCN(C(=O)[C@@H]3CN(C(C)=O)CCO3)[C@@H]2C1 1076517684 RPLCZPFUCCZZDX-ZNMIVQPWSA-N 305.378 -0.600 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2nnc3ccccc3c2O)C1 1077766548 KQVPFMGBAHKSEI-CHWSQXEVSA-N 312.329 -0.257 30 20 DBED C[C@@H](CCNC(=O)[C@H]1C[C@H]1C(N)=O)NC(=O)CSCC#N 1078486904 VASXESOGVNEAKL-AEJSXWLSSA-N 312.395 -0.624 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@H]1CCC(=O)N1 1078533162 DJYRTPZLPQCJQZ-LOWDOPEQSA-N 323.393 -0.133 30 20 DBED C#CCN[C@@H]1C[C@H](NC(=O)CN2CCOCC2=O)C12CCC2 1078648436 ZRDMIDRSVLLJDX-OLZOCXBDSA-N 305.378 -0.505 30 20 DBED N#CCN[C@@H]1C[C@H](NC(=O)c2nccnc2C(N)=O)C12CCC2 1078804288 TYSWVQXJQPHTIP-ZJUUUORDSA-N 314.349 -0.270 30 20 DBED C#CCNC(=O)CC(=O)N1CC(N(CC)C(=O)CCOCC)C1 1079478201 JFECHPJQHQZIQT-UHFFFAOYSA-N 323.393 -0.388 30 20 DBED C#CCCCC(=O)NC1(CO)CCN(C(=O)CC(=O)NC)CC1 1080834150 MUGMLTJYBUMKCF-UHFFFAOYSA-N 323.393 -0.604 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2ccon2)C1 1081305044 LIVDPYGOWWQJBH-DGCLKSJQSA-N 305.334 -0.117 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1O 1081336442 YJGQYJVGKCTXQD-ZYHUDNBSSA-N 307.354 -0.670 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2ccnn2C)C[C@@H]1O 1081345945 BPWBSVSOUWTGST-YPMHNXCESA-N 322.365 -0.828 30 20 DBED CN(C)CCCC(=O)N1C[C@H](CNC(=O)C#CC2CC2)[C@@H](O)C1 1081470812 GGDQDEWKFJARTC-GJZGRUSLSA-N 321.421 -0.323 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CN(Cc3cnsn3)C[C@@H]2O)c1 1083392343 DIQFXZGAEXAWLB-NEPJUHHUSA-N 318.362 -0.287 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2cncn2C)C1 1083789598 LBGMVSQHUYDGAN-BHPKHCPMSA-N 302.378 -0.292 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2cn(C)nc2C(F)(F)F)C1 1083816116 BIHRHVYIOUAIBI-ZJUUUORDSA-N 316.283 -0.153 30 20 DBED C=CCN1CC[C@@H]2CN(C(=O)c3cnc(O)n(C)c3=O)[C@@H]2C1 1084569708 FMSAWTUBBNJEOZ-ZYHUDNBSSA-N 304.350 -0.182 30 20 DBED CN1CC(=O)N(CC(=O)N[C@@H]2CCCC[C@H]2NCC#N)C1=O 1085416107 GBGZVHBXSFQVLR-GHMZBOCLSA-N 307.354 -0.579 30 20 DBED Cn1cc([C@@H]2CN(C(=O)Cc3ncc[nH]3)C[C@H]2NCC#N)cn1 1087003709 LDFJYWZPOXVJMG-QWHCGFSZSA-N 313.365 -0.207 30 20 DBED N#CCN1C[C@@H](NC(=O)[C@@H]2COC(=O)N2)CC2(CCOCC2)C1 1089940184 ZFZNXUFWVMPKOI-RYUDHWBXSA-N 322.365 -0.394 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2ccc3nn[nH]c3n2)[C@H](O)C1 1090311324 RRRUEXBPXMSKAL-BXKDBHETSA-N 300.322 -0.849 30 20 DBED C=CCCN1CC[C@@H](NC(=O)c2cc(=O)n(C)cn2)[C@H](O)C1 1090336247 FRJSBSZBHDYZRZ-DGCLKSJQSA-N 306.366 -0.479 30 20 DBED CC(=O)N(C)CC(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@H]1O 1090394410 JXCXNWUOGOJAEG-TZMCWYRMSA-N 317.349 -0.903 30 20 DBED CO[C@@H](C)CCC(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1O 1090402848 NWYKCYQCXLULQD-CYZMBNFOSA-N 319.365 -0.171 30 20 DBED C=CCN1CC[C@@H](NC(=O)C(C)(C)N2CCOCC2)[C@@H](O)C1 1090636779 CLXQNKAORGQCKF-KGLIPLIRSA-N 311.426 -0.165 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2c(OC)ccnc2O)[C@@H](O)C1 1090730343 KETNEQYMTZTGTR-RYUDHWBXSA-N 319.361 -0.016 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(c2nccnc2F)C[C@H]1OC 1090922227 CEQMWDJEJARRQD-QJPTWQEYSA-N 322.340 -0.026 30 20 DBED CCO[C@@H](CC)C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1091078346 NUNHRRAFUURQQB-WOPDTQHZSA-N 319.365 -0.171 30 20 DBED C=C(C)CN1C[C@@H](C)[C@H](CNC(=O)[C@H]2CCS(=O)(=O)N2)C1 1093203482 QTMZJQVVMUODBA-JHJVBQTASA-N 315.439 -0.062 30 20 DBED C[C@@H](C(N)=O)N1CC(OC2CCN(C(=O)[C@H](C)C#N)CC2)C1 1093515627 YUGSOMNFJPUELN-MNOVXSKESA-N 308.382 -0.288 30 20 DBED C[C@@H](C(=O)NCCNc1nccnc1C#N)N1C(=O)CCC1=O 1094201977 YPJROQOLUFCEDC-VIFPVBQESA-N 316.321 -0.586 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)CC3=CCOCC3)CC2=O)C1 1094782028 HUBNYNDKUCEWOQ-CQSZACIVSA-N 317.389 -0.242 30 20 DBED CC(=O)NCC(=O)N1CC[C@H](N(C)c2cnc(C#N)cn2)C1 1095088963 XYUZRXKBGHZMMT-LBPRGKRZSA-N 302.338 -0.479 30 20 DBED CNC(=O)NCC(=O)N1CCC(Nc2cnc(C#N)cn2)CC1 1095250469 UQESKCSGNIYTTP-UHFFFAOYSA-N 317.353 -0.320 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cn1nc(C)n(C)c1=O 1096455935 QVEOTKKKRRLZSG-AGIUHOORSA-N 303.366 -0.755 30 20 DBED C[C@@H](CNC(=O)Cn1cnnn1)Nc1ncc(C#N)cc1F 1097697574 XFGQAYKBPFECPG-QMMMGPOBSA-N 304.289 -0.304 30 20 DBED CCc1nc(C#N)cc(N[C@@H](C)CNC(=O)[C@@H]2COC(=O)N2)n1 1097817158 OYQHJCYJRBXLNN-WPRPVWTQSA-N 318.337 -0.064 30 20 DBED C[C@@H](CNC(=O)[C@H](C)CS(C)(=O)=O)N=c1cc[nH]cc1C#N 1097895851 FTZIPBRRGAIQDR-MNOVXSKESA-N 324.406 -0.028 30 20 DBED C=C(C)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1C(=O)CNC1=O 1098343506 DZLPPOSDGDOWLT-UTUOFQBUSA-N 306.366 -0.164 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](n2cc(CNCCCO)nn2)C1 1098634689 VYTGUGAOYGVPEE-AAEUAGOBSA-N 306.370 -0.317 30 20 DBED C#CCNCc1cn([C@@H]2CCN(C(=O)[C@H]3CCC(=O)N3)C2)nn1 1098636650 CKXIGXSOFUYYJG-CHWSQXEVSA-N 316.365 -0.947 30 20 DBED C#CCN1CC(C)(C)CC[C@H]1CNC(=O)CN1C(=O)CNC1=O 1099329721 RJJHVCKGVSSDLF-LBPRGKRZSA-N 320.393 -0.222 30 20 DBED C[C@@H](CCNC(=O)CO[C@H]1CCOC1)N=c1cc[nH]c(C#N)n1 1099545892 LEGNGBJUVFFJCP-RYUDHWBXSA-N 319.365 -0.118 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)CCn2ccnn2)[C@@H](O)C1 1099799951 VMWMDPINTKAMGS-KGLIPLIRSA-N 323.397 -0.578 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCN(Cc2ncccn2)C[C@H]1O 1099832411 HAGBNVQMGCGHET-ZIAGYGMSSA-N 318.377 -0.432 30 20 DBED CC#CCN1CC[C@H](NC(=O)CNC(=O)C2CCCC2)[C@@H](O)C1 1099848509 VWCBKVHIYCQWPI-GJZGRUSLSA-N 321.421 -0.133 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2ccns2)[C@@H](O)C1 1099853702 UYLKHBPRDGABGJ-NEPJUHHUSA-N 309.391 -0.042 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)C(C)(C)S(C)(=O)=O)[C@H](O)C1 1100021976 FKCBVCSUSQOWLZ-VXGBXAGGSA-N 318.439 -0.063 30 20 DBED CC#CCN1CC[C@H](NC(=O)CS(=O)(=O)C(C)C)[C@@H](O)C1 1100115930 ICTJATQMMCLZTQ-STQMWFEESA-N 316.423 -0.616 30 20 DBED COC[C@@H](O)CNC1CC(CNC(=O)c2c[nH]c(C#N)c2)C1 1100254816 NDRZEQNTYJOKTM-OVGLSYRBSA-N 306.366 -0.008 30 20 DBED CCN(CCNC(=O)[C@H]1CN(C)CCO1)c1ccc(C#N)nn1 1100496150 XZWQZZDAJVTMCA-CYBMUJFWSA-N 318.381 -0.379 30 20 DBED C[C@H](NC(N)=O)C(=O)NC[C@H]1CCN(c2ccnc(C#N)n2)C1 1100969022 OJBCATVFMQSSOD-VHSXEESVSA-N 317.353 -0.652 30 20 DBED N#Cc1cnccc1N1CC[C@H](CNC(=O)CCNC(N)=O)C1 1100980094 IWRXQNHFWZKLEP-LLVKDONJSA-N 316.365 -0.046 30 20 DBED CN(CCN=c1cc[nH]cc1C#N)C(=O)CN1CCOCC1=O 1102011962 AOENKCCXFZQRLF-UHFFFAOYSA-N 317.349 -0.896 30 20 DBED CN(C(=O)CS(C)(=O)=O)[C@@H]1CCN(c2ccnc(C#N)n2)C1 1102684202 SPLOIDHPNKMPFF-SNVBAGLBSA-N 323.378 -0.570 30 20 DBED COCC#CCN1C[C@@H](C)[C@H](CCNC(=O)[C@H]2COC(=O)N2)C1 1102936159 CNLHTHXWKILXNG-MGPQQGTHSA-N 323.393 -0.181 30 20 DBED C[C@H](CNc1ncccc1C#N)N(C)C(=O)Cn1cnnn1 1104447495 DVPVISFXDZNFIW-SNVBAGLBSA-N 300.326 -0.101 30 20 DBED C[C@@H](CNc1ccc(C#N)nn1)N(C)C(=O)[C@H]1CCNC1=O 1104765203 YCBZHKLHYJTRSF-ONGXEEELSA-N 302.338 -0.257 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)c1cn(C)c(O)n1 1104795152 QTMPIVOAXABUBN-VIFPVBQESA-N 315.337 -0.218 30 20 DBED N#Cc1cccnc1NC[C@@H](O)CNC(=O)CN1CCCC1=O 1105716107 JARGJJQXHVSPQG-LBPRGKRZSA-N 317.349 -0.535 30 20 DBED Cn1cc(C(=O)NC[C@@H](O)CNc2ccc(C#N)nc2)cn1 1105716663 YNLPQICBFNNDQZ-ZDUSSCGKSA-N 300.322 -0.110 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNc1ncnc2c1cnn2C 1105774838 WHKCHLBFKRLEDV-BDAKNGLRSA-N 303.326 -0.588 30 20 DBED CN1CCOC[C@@H]1C(=O)NC[C@@H](O)CNc1ccc(C#N)cn1 1105828307 DPDRFFUAZMDUIU-QWHCGFSZSA-N 319.365 -0.827 30 20 DBED Cc1nc(NC[C@@H](O)CNC(=O)c2nc[nH]n2)ccc1C#N 1105932834 XUFBPAGASQKZMB-SNVBAGLBSA-N 301.310 -0.417 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)[C@@]2(F)CCOC2)cn1 1106073678 XHGWRKUPFHLKGY-TZMCWYRMSA-N 308.313 -0.029 30 20 DBED N#Cc1nc(=NC[C@@H](O)CNC(=O)[C@H]2Cc3ccccc32)cc[nH]1 1106090759 BILMXRQZDGRKFO-OCCSQVGLSA-N 323.356 -0.001 30 20 DBED C[C@H](CCNc1cncc(C#N)n1)NC(=O)Cn1ncnn1 1106454280 HGHHSFVOSMQFCK-SECBINFHSA-N 301.314 -0.658 30 20 DBED C[C@@H]1CN(C(=O)c2cnc(O)n(C)c2=O)C[C@H]1CNCC#N 1106513550 BRGATQOJFKENBB-NXEZZACHSA-N 305.338 -0.693 30 20 DBED COCC[C@H](C)C(=O)N1C[C@@H](C)[C@H](CNCC(=O)NCC#N)C1 1107005468 ZQOOSKWMUAXROA-BFHYXJOUSA-N 324.425 -0.017 30 20 DBED C[C@H](C#N)C(=O)NC[C@]1(C)CN(CC(=O)N2CCC2)CCO1 1107819703 TYSXMISKFSIZFV-IUODEOHRSA-N 308.382 -0.415 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)[C@]2(COC)CCOC2)C1 1108099389 KVVDKAFFXJMFKF-HOTGVXAUSA-N 310.394 -0.120 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)[C@H]1CCCC(=O)N1C 1108473136 ABYOJOYLHUFRKC-WDEREUQCSA-N 316.365 -0.302 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)CC(F)(F)F)CC2=O)C1 1108517144 CYLVJTJOARRICY-SECBINFHSA-N 303.284 -0.027 30 20 DBED C[C@@H](CN(C)c1cnc(C#N)cn1)NC(=O)CN1CCOCC1 1108903978 SBXGVJDINSMYOQ-LBPRGKRZSA-N 318.381 -0.379 30 20 DBED C[C@H](CN(C)c1ccc(C#N)nn1)NC(=O)[C@@H]1COC(=O)N1 1108927706 XIUZFGMMJGFMFQ-SCZZXKLOSA-N 304.310 -0.602 30 20 DBED C[C@@H](CN(C)c1nccnc1C#N)NC(=O)[C@@H]1CCN(C)C1=O 1109184138 ULNWJHYJUXQZPI-QWRGUYRKSA-N 316.365 -0.233 30 20 DBED CCNC(=O)CC(=O)N(C)CCCN=c1cc[nH]c(C#N)n1 1109415843 KDRSSBPOHWNROW-UHFFFAOYSA-N 304.354 -0.443 30 20 DBED C[C@]1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCC#N)CCOC1 1109882790 PZKLUOBUKSGEHQ-DVZHBHJUSA-N 320.393 -0.226 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H](NC(=O)[C@H]1CCNC1=O)C1CC1 1109946001 NFEHZRLJYSQQLJ-GXTWGEPZSA-N 313.361 -0.182 30 20 DBED C[C@@H](CC(N)=O)C(=O)N[C@@]1(C)CCN(c2ccnc(C#N)n2)C1 1110802696 SZJQCQMIHRFBKQ-BONVTDFDSA-N 316.365 -0.055 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCn1cnccc1=O 1111202334 PBJDOMGMEJOJTN-MCIONIFRSA-N 300.362 -0.012 30 20 DBED CC(=O)N(C)CC(=O)N(CCO)CCNc1nccnc1C#N 1111441873 LTUISBVYZHKJMM-UHFFFAOYSA-N 320.353 -0.941 30 20 DBED COCC#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CNC(=O)N2)C1 1111854831 UXWJPSDUWORMFQ-XEZPLFJOSA-N 320.393 -0.712 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CCN(c2nccnc2C#N)C[C@@H]1C 1112389289 ZEFWHRJJJUKHKI-CMPLNLGQSA-N 316.365 -0.185 30 20 DBED CCOCCC(=O)NC[C@H]1CN(c2ccc(C#N)nn2)C[C@H]1O 1112703059 XGDRPGZUTAOBFI-WCQYABFASA-N 319.365 -0.312 30 20 DBED C[C@@](O)(CC(=O)N1CCN(CC(=O)NCC#N)CC1)C1CC1 1112769294 CBOMZWXSUGOCAN-OAHLLOKOSA-N 308.382 -0.679 30 20 DBED CN(C[C@H]1CCCN1C(=O)CNC(N)=O)c1nccnc1C#N 1112779666 GKRAOXQKNZGHLZ-SNVBAGLBSA-N 317.353 -0.556 30 20 DBED C[C@@H](N=c1cc[nH]c(C#N)n1)[C@@H](C)NC(=O)Cn1nccn1 1113172384 CDKCDQBUEXAOER-NXEZZACHSA-N 300.326 -0.633 30 20 DBED COCC#CCN1CCN(C(=O)Cn2ccc(C)cc2=O)CC1 1113390593 KARWYUDYNFMBDI-UHFFFAOYSA-N 317.389 -0.049 30 20 DBED CC[C@H]1C[C@H](C(=O)N2CCN(CC(=O)NCC#N)CC2)CCO1 1113500626 CBINNAUYNRTCSN-KGLIPLIRSA-N 322.409 -0.024 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H](C)N(C)c1ccnc(C)n1 1113566907 DWBICSQEAWXUMW-LLVKDONJSA-N 303.366 -0.135 30 20 DBED C[C@@H](CC(N)=O)C(=O)NC[C@@H](C)N(C)c1cnc(C#N)cn1 1113799305 BRGKLHTUECVHIH-VHSXEESVSA-N 304.354 -0.199 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)COCCCC)[C@@H]2C1 1114095327 GXJRKHQFQRKPPZ-BFHYXJOUSA-N 321.421 -0.013 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)c3nc[nH]n3)[C@@H]2C1 1114992669 YYSXPYFCBGRIQV-IVZWLZJFSA-N 304.354 -0.845 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)c3c[nH]c(C)cc3=O)[C@@H]2C1 1115065106 IQNPJENBOVGHCT-ZIAGYGMSSA-N 315.373 -0.007 30 20 DBED COC[C@]1(CO)CCN(C(=O)C(=O)Nc2cccc(C#N)n2)C1 1118203402 QEMFEBUOSPJHGV-OAHLLOKOSA-N 318.333 -0.251 30 20 DBED CCn1cnc2c(N[C@@H](CO)CNC(=O)[C@H](C)C#N)ncnc21 1121212608 IEILHJITIARYHL-NXEZZACHSA-N 317.353 -0.105 30 20 DBED CN1CCOC[C@H]1C(=O)NC[C@H](CO)Nc1ncccc1C#N 1121345876 HIWDCXYTAZHVKK-OLZOCXBDSA-N 319.365 -0.827 30 20 DBED C=CCn1cc(C(=O)NC[C@@H](CO)Nc2cc(F)ncn2)nn1 1122637898 YKRYSNGQYXCXIC-VIFPVBQESA-N 321.316 -0.404 30 20 DBED CC(=O)NCC(=O)N1C[C@@H](Nc2cnc(C#N)cn2)C[C@H]1C 1123123207 WHOPDZYPRHGZOO-KOLCDFICSA-N 302.338 -0.114 30 20 DBED C=CCO[C@H](C)C(=O)N(C)C[C@@H](O)CN=c1cc[nH]c(C#N)n1 1124385840 LBAPYVKVGKMQIT-NEPJUHHUSA-N 319.365 -0.408 30 20 DBED C#CCNC(=O)CC(=O)NCCN[C@@H](C)C(=O)NC(C)(C)CC 1125998358 PCVGLZLBJWLVBI-LBPRGKRZSA-N 324.425 -0.475 30 20 DBED CCOCC(=O)NCc1nc([C@H]2CCO[C@H]2CNCC#N)n[nH]1 1130187873 OGVUTZBPWFQZCN-QWRGUYRKSA-N 322.369 -0.557 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(C)=O)C[C@H]1c1cn(C)cn1 1130474315 VMVRVGPJXMNRSR-OSAQELSMSA-N 317.393 -0.538 30 20 DBED C#CCN[C@@H]1CN(C(=O)CN(C)C(C)=O)C[C@H]1c1cn(C)cn1 1130502283 FNQUDAXHKUSMFD-DZGCQCFKSA-N 317.393 -0.584 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1ccc2n[nH]c(C)c2c1 1131185935 KLAAWPKDPMNYBD-UHFFFAOYSA-N 313.361 -0.060 30 20 DBED C=C(Cl)CNCCNC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O 1133251987 HLCXUJCEOKQINX-LBPRGKRZSA-N 313.789 -0.085 30 20 DBED C#Cc1cncc(C(=O)NCCNC[C@H](O)Cn2cccn2)c1 1133597553 SYPVUWVOUKAQTP-HNNXBMFYSA-N 313.361 -0.360 30 20 DBED N#CCNC(=O)CNCCNC(=O)[C@H]1Cc2cc(F)ccc2O1 1134581596 GYRQWPYHUULDQF-CYBMUJFWSA-N 320.324 -0.525 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1ccc(C)nc1OC 1134878152 RRGLEFPWNGFLJL-UHFFFAOYSA-N 304.350 -0.533 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)CN(C)C(C)C)C2 1148840020 YDNKYHFMFFBBAG-UHFFFAOYSA-N 320.437 -0.390 30 20 DBED C#CCNC(=O)CN1CCCO[C@H](CNC(=O)/C(C)=C\C)C1 1149506221 VDTQLNIQFDDOCK-MECSIWFOSA-N 307.394 -0.091 30 20 DBED CC#CCN1CCCO[C@H](CNC(=O)C2(C(=O)NC)CC2)C1 1150446056 ZYPSZTKURJZGHR-CYBMUJFWSA-N 307.394 -0.257 30 20 DBED COCC#CCN1CCCO[C@@H](CNC(=O)[C@H]2CCN(C)C2)C1 1150699478 JAPDQDXWKSWLMB-HOTGVXAUSA-N 323.437 -0.205 30 20 DBED C=C(C)CN1CCCO[C@H](CNC(=O)C[C@H]2CC(=O)NC2=O)C1 1150831058 KOWDPSIXQNQMRG-QWHCGFSZSA-N 323.393 -0.178 30 20 DBED COCC#CCNCCNC(=O)[C@H](C1CC1)N1CCOCC1 1151815185 QLCHFNFRIPPBJF-HNNXBMFYSA-N 309.410 -0.547 30 20 DBED CC(C)NC(=O)NC(=O)[C@@H](C)NCCCNC(=O)[C@H](C)C#N 1155854765 NZOXXPRKKNXYRD-GHMZBOCLSA-N 311.386 -0.135 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)c1cccnn1 1155968265 UQVAGJIHDGAAGM-GFCCVEGCSA-N 303.366 -0.334 30 20 DBED C#CCO[C@H](C)C(=O)NCCCNCCCS(C)(=O)=O 1157879656 GWXIZIYJDBXTBM-GFCCVEGCSA-N 304.412 -0.445 30 20 DBED N#CCNC(=O)CNCCCNC(=O)c1ncc2ccccn12 1162502172 JYTMTMFAGYJCJV-UHFFFAOYSA-N 314.349 -0.316 30 20 DBED C=CCNCC1(CCNC(=O)[C@@H](CCC(N)=O)NC(C)=O)CC1 1167466150 DKJLKJZDAGRIPP-CYBMUJFWSA-N 324.425 -0.181 30 20 DBED CC#CCNCC1(CCNC(=O)[C@H]2CCS(=O)(=O)N2)CC1 1168192536 VYMJRERGLVVWQC-GFCCVEGCSA-N 313.423 -0.423 30 20 DBED N#CCNC(=O)CNCCCNC(=O)COc1ccsc1 1171257946 KWJJUVHSOBQCHZ-UHFFFAOYSA-N 310.379 -0.137 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1ccc(N(C)C)nn1 1171430658 ODEJBGGNNZQMMK-UHFFFAOYSA-N 318.381 -0.999 30 20 DBED CN1CCC[C@@H]1C(=O)NCCCCCCNCC(=O)NCC#N 1178045730 SYJXBIIECUDWLK-CQSZACIVSA-N 323.441 -0.013 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2cc(C)no2)[C@H]1C 1178101713 DRHXZHHNWGBISG-RYUDHWBXSA-N 304.350 -0.075 30 20 DBED C[C@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)c1cccn1C 1178125183 ZREJNTDAXQECDU-RYUDHWBXSA-N 303.366 -0.143 30 20 DBED CCNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)C#CC(C)C)C1 1182390127 ZIHZXHIBSGPPKA-GFCCVEGCSA-N 308.382 -0.318 30 20 DBED COCCC(C)(C)C(=O)N1CC[C@@H](NCC(=O)NCC#N)C1 1186695123 GVGZAPACVALZSF-GFCCVEGCSA-N 310.398 -0.121 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](N(C)CC(=O)NC(=O)NC2CC2)C1 1189388088 BUJWOAXCKKKHFR-PWSUYJOCSA-N 321.381 -0.333 30 20 DBED CN(CCNS(C)(=O)=O)[C@H]1CCN(C(=O)C#CC2CC2)C1 1190036874 PMBDPYZOHGQXRF-ZDUSSCGKSA-N 313.423 -0.518 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@@H](N(C)Cc2nncn2C)C1 1190093936 FFROZCVQORFZHS-QWHCGFSZSA-N 305.382 -0.114 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@@H](N(C)Cc2nnnn2C)C1 1190094927 OOIMYHGHXIKRBQ-NWDGAFQWSA-N 306.370 -0.719 30 20 DBED C=CCCO[C@H](C)C(=O)N[C@@H]1CN(Cc2cnn(C)n2)C[C@H]1O 1191608090 JFVRNARJCBMVHK-MRVWCRGKSA-N 323.397 -0.542 30 20 DBED COCC#CCN(C)[C@@H]1CCN(C(=O)[C@@H]2CCN(C)C2=O)C1 1191849059 KAKIAKLSPRVQPZ-ZIAGYGMSSA-N 307.394 -0.353 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CN(Cc2nnc3n2CCCC3)C[C@H]1O 1191853994 JIVQMBVCIXVAKD-QJPTWQEYSA-N 318.381 -0.565 30 20 DBED Cc1cnc(CN2C[C@@H](O)[C@H](NC(=O)C#CC3CC3)C2)cn1 1192826485 GTWGDGAKUJGUCY-HUUCEWRRSA-N 300.362 -0.140 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@@H]1CCN(C(=O)c2ccn(C)n2)C1 1194026694 IWSCSZWNJOZZSJ-CHWSQXEVSA-N 317.393 -0.296 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]cc2C)C1 1198661937 JRYRYRNETCFZNL-IACUBPJLSA-N 318.377 -0.764 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)OCC=C)C1 1199314137 PLUXQAPJHWQBGW-JHJVBQTASA-N 311.382 -0.959 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)c2ccnn2C)CC1 1199620903 GRENELRJGWNWHZ-UHFFFAOYSA-N 305.382 -0.084 30 20 DBED CCn1ccnc1C(=O)N1CCC(NCC(=O)NCC#N)CC1 1200282895 FFTLSZOHPVQDAF-UHFFFAOYSA-N 318.381 -0.263 30 20 DBED N#CCNC[C@@H]1CN(C(=O)C[C@H]2CCC(=O)NC2)CCCO1 1200673293 NLBVUBGRQWBNIF-CHWSQXEVSA-N 308.382 -0.367 30 20 DBED CC#CCNC[C@H]1CN(C(=O)[C@H]2CCCNC2=O)CCCO1 1200738600 XSBBCESDZVHFOR-KBPBESRZSA-N 307.394 -0.257 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)N1CCC[C@@H](NCCO)C1 1211262532 UPDUOALMJYOMGQ-GFCCVEGCSA-N 312.414 -0.177 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)[C@H]2CCCCO2)[C@H](OC)C1 1212122675 NWKMMABLTYKNQO-MGPQQGTHSA-N 323.393 -0.880 30 20 DBED COCC#CCN1C[C@@H](NC(=O)c2ccc(C)nn2)[C@H](OC)C1 1212237404 OCMDZKPPERVKSX-HUUCEWRRSA-N 318.377 -0.136 30 20 DBED C[C@@H]1CN(C(=O)CC2OCCCO2)C[C@H]1NCC(=O)NCC#N 1214508595 SJYOMNHRDZCBSV-VXGBXAGGSA-N 324.381 -0.784 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CCN(C)C2)C[C@H]1C 1216754009 DFZBRUHZYUTXOH-HZSPNIEDSA-N 308.426 -0.323 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CCCS(C)(=O)=O 1218771943 QSJAFQYIECZFJX-QWHCGFSZSA-N 314.407 -0.644 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CCC(=O)NCCC 1218995154 AGWVTWFQFYIIKB-UONOGXRCSA-N 307.394 -0.162 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CN(Cc2nnnn2C(C)(C)C)C[C@@H]1O 1219378956 JTTPHPYDDVXWKV-AXFHLTTASA-N 321.385 -0.751 30 20 DBED C=C[C@](C)(O)CC(=O)N1C[C@H]2CCN(CC(=O)N(C)C)C[C@H]21 1221518202 WPKBDKKIMGIORU-IOASZLSFSA-N 309.410 -0.066 30 20 DBED CCC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1NCC#N)S(N)(=O)=O 1227727320 DPMRJFLMCCFUSJ-UTUOFQBUSA-N 316.427 -0.016 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)c2cnnc(O)c2)CC1 1227900769 YJALKCTYTHSDNJ-UHFFFAOYSA-N 317.349 -0.874 30 20 DBED C#CCCN1CCS(=O)(=O)[C@@H](CCNC(=O)CSC)C1 1230416618 NKLWQZOJFNHGMC-LBPRGKRZSA-N 318.464 -0.022 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@H]1CN(C)C(=O)c1cnn(C)c1 1230714802 KCZVKNZVIFMDHA-JSGCOSHPSA-N 317.393 -0.296 30 20 DBED C[C@@H](C(=O)N(C)C[C@H]1CCN1CC(=O)NCC#N)n1cncn1 1233750571 GPEDYXFSKPZYKZ-NWDGAFQWSA-N 319.369 -0.988 30 20 DBED C=CCN1CC[C@@H](N2CC[C@@H]2CN(C)C(=O)CC(=O)NC)C1=O 1233878980 BTTQRDFOIMIESG-CHWSQXEVSA-N 322.409 -0.558 30 20 DBED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1ccc(CC(N)=O)cc1 1256561189 ZYQKLKNTPKDADW-CYBMUJFWSA-N 317.345 -0.457 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCN([C@@H](C)C(=O)NC(=O)NC)C1 1318331890 YVDBPZMPDYUAJV-NWDGAFQWSA-N 324.381 -0.939 30 20 DBED N#CCCCCS(=O)(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)O 1321454217 OGQIEKNJWAMSJV-SECBINFHSA-N 324.380 -0.806 30 20 DBED C#Cc1ccc(C(=O)N2CCC[C@@H](CNS(N)(=O)=O)C2)nc1 1322014291 YYWBIFLDZINHMS-LBPRGKRZSA-N 322.390 -0.292 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)NCC1(OC)CCOCC1 1323041286 CXRUILOTBQWPTF-UHFFFAOYSA-N 306.362 -0.217 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CCC(NC(=O)C2CC2)CC1 1323586992 HMPCSCFUOWRWOI-GFCCVEGCSA-N 323.393 -0.179 30 20 DBED Cn1cc(CNC(=O)C(=O)NCCc2ccc(C#N)cc2)nn1 1334125910 FJWJYVVWEJYRRX-UHFFFAOYSA-N 312.333 -0.338 30 20 DBED C#C[C@H](C)NC(=O)C(=O)Nc1cccn(CC(=O)OCC)c1=O 1343340135 HZSQGNBPSBSSJX-JTQLQIEISA-N 319.317 -0.512 30 20 DBED N#CCN(C(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1)C1CC1 1343794368 GRSNNQURDQWODP-UHFFFAOYSA-N 322.346 -0.213 30 20 DBED C#CCN(C(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1)C1CC1 1344492861 FTCVMQYUWKWHGR-UHFFFAOYSA-N 321.358 -0.103 30 20 DBED C=CCN(C(=O)c1n[nH]c2c1CNCC2)[C@H]1CCS(=O)(=O)C1 1346029561 PPIDNNGVCIUUHZ-JTQLQIEISA-N 324.406 -0.129 30 20 DBED C=CCOCCNC(=O)C(=O)N1CC[C@H](N2CCCC2=O)C1 1346713643 KMSKNAWJKOGQPX-LBPRGKRZSA-N 309.366 -0.472 30 20 DBED N#Cc1c(NC(=O)c2cnn(C[C@H](O)CO)c2)n[nH]c1C1CC1 1363128731 JCSGLVWRPVYJES-JTQLQIEISA-N 316.321 -0.039 30 20 DBED COC(=O)C1(NS(=O)(=O)N(C)CCC#N)CCOCC1 1364865862 RQFBTWMZJWMGFQ-UHFFFAOYSA-N 305.356 -0.612 30 20 DBED CCN(CCNC(=O)[C@H](C)C#N)Cc1nc(CC(=O)NC)no1 1366602661 HOMIYCBJAUJZKW-SNVBAGLBSA-N 322.369 -0.544 30 20 DBED N#Cc1cc(C(=O)NC[C@H](O)CNC(=O)C2=COCCC2)c[nH]1 1376552063 SPBYANIRUPNSHN-CYBMUJFWSA-N 318.333 -0.212 30 20 DBED C=C(Br)CNC[C@@H](O)CNC(=O)c1cn(C)nn1 1379199456 QPKDFSIHBVOXLC-MRVPVSSYSA-N 318.175 -0.596 30 20 DBED C[C@H](C#N)C(=O)NC1CCN(C(=O)[C@@H]2CCC(=O)N2C)CC1 1385393879 ROVMENRVEOMQJB-PWSUYJOCSA-N 306.366 -0.126 30 20 DBED CC[C@@H](CNC(=O)c1cc(=O)n(C)cn1)NC(=O)[C@H](C)C#N 1388117311 ZJRGFHUEFGKOER-ZJUUUORDSA-N 305.338 -0.435 30 20 DBED CO[C@H](C1CC1)[C@@H](C)NC(=O)Cn1cc(C#N)c(O)nc1=O 1412120910 AGLMCEHLBBYODB-PELKAZGASA-N 306.322 -0.250 30 20 DBED CN(C)C(=O)O[C@@H]1CCN(c2[nH]c(=O)n(C)c(=O)c2C#N)C1 1413889088 QWZQFAWCAXNIEF-MRVPVSSYSA-N 307.310 -0.778 30 20 DBED C[C@@H]1CN(C(=O)CCn2cc(C#N)c(O)nc2=O)[C@H](C)CN1C 1417684303 ZEZUAWMCVSFUOT-GHMZBOCLSA-N 319.365 -0.238 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1cccn2ccnc12 1431574235 VJRWZCQBUIVSKQ-MNOVXSKESA-N 315.333 -0.299 30 20 DBED CC[C@@H](NC(=O)Cn1cc(C#N)c(O)nc1=O)[C@@H](O)C(C)C 1434090148 HNXFGGURZTYNTF-PWSUYJOCSA-N 308.338 -0.268 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CN(C)C(=O)CCc1ncccn1 1444721426 ZDFIRVMADFGHAT-RYUDHWBXSA-N 319.365 -0.496 30 20 DBED CC(=O)N1CC[C@H](CN(C)c2[nH]c(=O)n(C)c(=O)c2C#N)C1 1472731708 OEIFZZQWCDIVIU-SNVBAGLBSA-N 305.338 -0.750 30 20 DBED C[C@@H](C#N)C(=O)NCC1(C)CCN([C@@H](C)C(=O)NC(N)=O)CC1 1484133155 BLEMYYKDZNLJFC-QWRGUYRKSA-N 323.397 -0.052 30 20 DBED N#Cc1c[nH]c(C(=O)NCC2(NC(=O)[C@@H]3COCCO3)CC2)c1 1506001024 PVXMDROAMMZGLQ-LBPRGKRZSA-N 318.333 -0.320 30 20 DBED N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)COCC(=O)O 1571100999 SKLOTWFVOVMHEP-UHFFFAOYSA-N 309.282 -0.842 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC[C@](C)(NC(=O)CNC(=O)O)C1 1573368457 MEDKQFYCEZBRRA-HZMBPMFUSA-N 313.354 -0.048 30 20 DBED N#CC1(C[C@H](O)CN2CCOC[C@]2(CN)CO)CCOCC1 1580038987 XCTHLVZLOQXBLG-ZFWWWQNUSA-N 313.398 -0.920 30 20 DBED C#CCCS(=O)(=O)NC(=O)Cc1ccc(-c2nn[nH]n2)cc1 1588347895 ZULGMMACRCQXBY-UHFFFAOYSA-N 319.346 -0.122 30 20 DBED O=C(C#CC1CC1)N[C@H]1C[C@H](N=c2cc[nH]c(-c3nn[nH]n3)n2)C1 1592767606 FPGXTHCYRVMAFT-XYPYZODXSA-N 324.348 -0.449 30 20 DBED O=C1CN(CC(=O)OCC#Cc2cccc(C(=O)O)c2)CCN1 1602650186 DHWMLHAJVKOENW-UHFFFAOYSA-N 316.313 -0.289 30 20 DBED COCC[C@H](COC)Nc1cnc(C#N)c(-c2nn[nH]n2)n1 1605078702 GVSCTIPOZWYWGW-MRVPVSSYSA-N 304.314 -0.008 30 20 DBED Cc1nnc(N2CCN(C(=O)[C@@](C)(C#N)CC(=O)O)CC2)n1C 1605444682 PHVRDEZCESLZDP-CQSZACIVSA-N 320.353 -0.223 30 20 DBED CN(C)c1n[nH]c(CNC(=O)N2CCC(C#N)(C(=O)O)CC2)n1 1606070440 RYLCODBTRIGHEH-UHFFFAOYSA-N 321.341 -0.229 30 20 DBED N#Cc1ccc([C@H](O)C(=O)N2C[C@@H](O)C[C@@H](C(=O)O)C2)cc1 1608201698 GMSFDPFSKVVVDY-AGIUHOORSA-N 304.302 -0.114 30 20 DBED Cn1cnn(CC(=O)Nc2n[nH]c(-c3cccc(C#N)c3)n2)c1=O 1649146768 SIMVNEFKAPSUKE-UHFFFAOYSA-N 324.304 -0.123 30 20 DBED COc1cc(C(=O)N2CCOC[C@@H]2C#N)ccc1OCC(N)=O 1649706199 LHELMPLEFFAOEG-NSHDSACASA-N 319.317 -0.076 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2cc(OC)no2)C1 1661301849 YDENMSHASKUJHE-JTQLQIEISA-N 306.322 -0.763 30 20 DBED C#CCN(C)C[C@@H]1CCCN(C(=O)CNC(=O)CNC(C)=O)C1 1752514305 PXPMKBMXFILHIK-AWEZNQCLSA-N 322.409 -0.958 30 20 DBED C[C@@H](CNC(=O)c1cc2cnccc2[nH]1)NCC(=O)NCC#N 1752882724 BJSWSXGHDSVEQN-JTQLQIEISA-N 314.349 -0.089 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC(CNC(=O)CCn2cccn2)C1 1753402531 QACXLIVOTHPYQK-CYBMUJFWSA-N 317.393 -0.541 30 20 DBED C#CCNC(=O)CN1CC(CNC(=O)[C@H](OC)C2CCC2)C1 1753407596 PQPWXMZMUMMWBV-OAHLLOKOSA-N 307.394 -0.401 30 20 DBED C#CCN1CCC(CCNC(=O)CN2CCOCC2=O)CC1 1753594616 GFQJHFCQBKKDAG-UHFFFAOYSA-N 307.394 -0.303 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@H](CNC(=O)c1nc[nH]n1)C(C)C 1753839567 NBKAJDHGVMCULC-GHMZBOCLSA-N 308.386 -0.161 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)CCN(C)C(=O)C1CC(OC)C1 1753856317 XPKXNANLLUVSCN-IYXRBSQSSA-N 309.410 -0.061 30 20 DBED CCN(CCNCC(=O)NCC#N)C(=O)[C@@H]1CCOC[C@@H]1C 1754066053 WOGZIABQFNPWIC-QWHCGFSZSA-N 310.398 -0.263 30 20 DBED CNC(=O)NC(=O)CNC[C@@H](NC(=O)C#CC1CC1)C1CC1 1754440129 UHFLZYXBYOZLCG-GFCCVEGCSA-N 306.366 -0.660 30 20 DBED C=CCNC(=O)[C@H](C)N1CC[C@@H]1CNC(=O)c1[nH]nnc1C 1754490762 VWHPAMOUJUVTHW-WDEREUQCSA-N 306.370 -0.392 30 20 DBED COCCN(CC#N)C1CCN(C(=O)[C@@H](C)NC(C)=O)CC1 1754549672 PDUFLSLQQOEASN-GFCCVEGCSA-N 310.398 -0.026 30 20 DBED C=CCCN1CC[C@@](O)(CNC(=O)CC2CS(=O)(=O)C2)C1 1754752728 OIADMJIAYYUMDM-CQSZACIVSA-N 316.423 -0.450 30 20 DBED COc1cccnc1CC(=O)NC[C@@]1(O)CCN(CC#N)C1 1754753889 DXKGAMGNQIIDKX-HNNXBMFYSA-N 304.350 -0.291 30 20 DBED C=CCNC(=O)CN(C)C[C@@H]1CCCN1C(=O)c1cn(C)nn1 1755192007 XQRRASLSGLGENS-LBPRGKRZSA-N 320.397 -0.346 30 20 DBED CC#CCN[C@@H](CO)CNC(=O)c1ccccc1OCC(N)=O 1755632725 IYUNJMWJOCXAJP-GFCCVEGCSA-N 319.361 -0.746 30 20 DBED CN1CC[C@H](CC(=O)N(C)C2CC(NCC(=O)NCC#N)C2)C1 1755863700 ICFHTYSITKZBDD-IYXRBSQSSA-N 321.425 -0.453 30 20 DBED C#CCCNCCOCCN(C)C(=O)c1cccn2nnnc12 1755874463 YWIGENAMCMJSGX-UHFFFAOYSA-N 316.365 -0.174 30 20 DBED C[C@H](NC(=O)[C@H](C)C#N)C1CN(C(=O)CCCCNC(N)=O)C1 1756155766 CWZUSMYWBUOQAE-MNOVXSKESA-N 323.397 -0.052 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H](CO)CNC(=O)c1cncn1C 1756532748 MCORHTDCXSPOHW-GHMZBOCLSA-N 310.354 -0.782 30 20 DBED C=CCCC(=O)N[C@@H]1CCN(C(=O)CN2CCOCC2=O)[C@H]1C 1756566149 KXULXDOZULNROT-QWHCGFSZSA-N 323.393 -0.083 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@H](O)[C@H](NC(=O)COCCC=C)C1 1757185566 UQAUHOVFKMMJDJ-MCIONIFRSA-N 324.377 -0.695 30 20 DBED N#CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1C[C@@H](O)C1)C2 1795081567 JJDYKBYFLVNYGX-ZXGJDPOTSA-N 307.350 -0.739 30 20 DBED CC(C)OS(=O)(=O)ON1C(=O)N2C[C@H]1CC[C@H]2C(N)=O 2048532109 DVMCDLKIQRZFRL-SFYZADRCSA-N 307.328 -0.658 30 20 DBED N#Cc1ccc(NC(=O)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 48589234 LFHBHZIPJYHUIU-LLVKDONJSA-N 307.331 -0.200 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN[C@H](C)[C@H]2C)C1=O 262732234 BTHNHSUVGGAJOA-NXEZZACHSA-N 308.338 -0.828 30 20 DBED C=CCN(C(=O)[C@@H]1C[C@@H]1C(=O)OC)[C@@H]1CCS(=O)(=O)C1 263895298 NHTJWDQKYFYSPT-MXWKQRLJSA-N 301.364 -0.003 30 20 DBED C=CCN1CCC(NC(=O)CCC(=O)NCCNC(C)=O)CC1 264721299 CWTMLSAGTQYYPU-UHFFFAOYSA-N 324.425 -0.215 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C)CCN(C)C)C1=O 264909923 NFHXIIGDUAEPFF-SNVBAGLBSA-N 310.354 -0.580 30 20 DBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCC(N)=O 268880754 WTYKMMPEMGBSSD-VIFPVBQESA-N 324.362 -0.783 30 20 DBED C=CCCS(=O)(=O)N1CC[C@H](N2C[C@H](C(=O)O)CC2=O)C1 275125441 OOTZSIJGAJHVQT-MNOVXSKESA-N 316.379 -0.100 30 20 DBED CCOC(=O)CO/N=C(/C(=O)NC[C@H](C)CO)c1cc[nH]n1 278744188 SQBSCTYPHJVPNC-NXVNHVPESA-N 312.326 -0.562 30 20 DBED NC(=O)[C@@H]1CC(C(=O)NCC#CCO)=NN1c1ccc(F)cc1 283037144 YZRUILUIXMAVGS-ZDUSSCGKSA-N 318.308 -0.642 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N1CCN(C(=O)NCC)CC1 298166032 MGDUVJAFGHJYJF-LLVKDONJSA-N 311.386 -0.266 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@H]1CN(C)CCO1 330375359 NTJHOTYIQFVXEZ-NEPJUHHUSA-N 304.416 -0.367 30 20 DBED O=C(CO)N1CCN(C(=O)C/N=C(/O)c2ccccc2)CC1 330500622 QBPDBPFSJJMEJQ-UHFFFAOYSA-N 305.334 -0.346 30 20 DBED CS(=O)(=O)CC(=O)N1CCN(c2ncccc2C#N)CC1 330570809 IVYNAULXFJQOSQ-UHFFFAOYSA-N 308.363 -0.354 30 20 DBED C[C@H](C/N=C(/O)N1C[C@@H](O)C[C@H]1CO)CN1CCOCC1 331138029 WAZHNDHPQYHZQB-AGIUHOORSA-N 301.387 -0.704 30 20 DBED COC(=O)C1(CS(=O)(=O)N2CCO[C@@H](C#N)C2)CCC1 332429781 IOMCFATVISFODZ-JTQLQIEISA-N 302.352 -0.116 30 20 DBED CC[C@]1(C)COCCN1S(=O)(=O)N1CCO[C@H](C#N)C1 336943430 LITXJELNGGDOEO-VXGBXAGGSA-N 303.384 -0.044 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@H](C)C(=O)NCCF 337180152 AHEQNMIITYBZSP-VHSXEESVSA-N 308.379 -0.223 30 20 DBED COCC(=O)N1CCN(C(=O)C(=O)NCCCCC#N)CC1 343164523 VYOYFWDDBYQGTC-UHFFFAOYSA-N 310.354 -0.886 30 20 DBED CCNC(=O)C(C)(C)CNC(=O)NCCn1cnc(C#N)n1 345597093 LKEHSBSOPFCXPU-UHFFFAOYSA-N 307.358 -0.389 30 20 DBED CC(C)N1CCO[C@@H](C(=O)N2CCN(C(=O)CC#N)CC2)C1 348587752 KYGFIHNDVRKNJG-CYBMUJFWSA-N 308.382 -0.320 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)NCCn1cnc(C#N)n1 352635041 BLKMHJPNHRMSHN-JTQLQIEISA-N 311.371 -0.534 30 20 DBED Cn1cc([C@H]2CSCCN2C(=O)NCC(=O)NCC#N)cn1 358314525 OZNZFGLUWBUHEE-LLVKDONJSA-N 322.394 -0.141 30 20 DBED C=CCN1CCC(NC(=O)C(=O)N2C[C@@H](C)NC[C@H]2C)CC1 419702818 CBPFTQDMJTZIHH-CHWSQXEVSA-N 308.426 -0.038 30 20 DBED C=CCCn1cc(C(=O)N2CC[C@@H](N3CCNCC3)C2)nn1 424180367 VJXQJVFZGXKCCZ-CYBMUJFWSA-N 304.398 -0.026 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N(C)C[C@@H](C)C(=O)O)nn1 424491171 XAPINKKLSXFJIJ-SECBINFHSA-N 309.326 -0.741 30 20 DBED CCN1C[C@@H](NS(=O)(=O)N(CC)C[C@@H](C)C#N)CC1=O 451863517 FRXUDASCUOPAPF-QWRGUYRKSA-N 302.400 -0.077 30 20 DBED CC[C@@H](C#N)NC(=O)[C@@H](C)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 484428285 GFHXTFAZECKVHQ-OHUUWBQVSA-N 305.334 -0.044 30 20 DBED C=CCN(C(=O)CN1CCCNC1=O)[C@@H]1CCS(=O)(=O)C1 518807546 YJVHVOAJYGZVNH-LLVKDONJSA-N 315.395 -0.397 30 20 DBED N#Cc1ccc(S(=O)(=O)CCN[C@]2(C(N)=O)CCOC2)cc1 570103646 AIFDCSOIUQZLNP-CQSZACIVSA-N 323.374 -0.434 30 20 DBED CC(C)C[C@H](C#N)NC(=O)c1nc(N)nc(N2CCOCC2)n1 593447162 UHZYJYUHJDTHIS-SNVBAGLBSA-N 319.369 -0.042 30 20 DBED CN1C(=O)N[C@@]2(CCC[C@H]2CNc2cc(C#N)cnn2)C1=O 596149082 IPVVFBGKHVNHRC-IINYFYTJSA-N 300.322 0.481 30 20 DBED C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccncc2)CC1 656869309 ZCXMBXVXZLEHCT-UHFFFAOYSA-N 324.406 -0.310 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)c2ccc[nH]2)C1=O 726043977 XMDATEMJDRRMEI-UHFFFAOYSA-N 319.273 -0.283 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)COc2cc(C)on2)CC1 728533821 BXJXYNRMOBYNPF-UHFFFAOYSA-N 320.349 -0.745 30 20 DBED C#C[C@H](NC(=O)[C@H]1CCCN1C(=O)CNC(C)=O)[C@H]1CCCO1 775343267 YRALPBZRYQHIIK-BFHYXJOUSA-N 321.377 -0.590 30 20 DBED C=CCS(=O)(=O)CCNC(=O)c1cnc(C(=O)OC)cn1 783542189 QCTNPYKAJAXHTB-UHFFFAOYSA-N 313.335 -0.406 30 20 DBED C#CCOCCNS(=O)(=O)c1cccc(-c2nnnn2C)c1 784457591 MQUMCDNQEUHDHA-UHFFFAOYSA-N 321.362 -0.195 30 20 DBED C[C@H](OC(=O)CSCC#N)C(=O)NCCN1CCOCC1 788112550 ACTWVLNIURZLEC-NSHDSACASA-N 315.395 -0.377 30 20 DBED C#CCCN1CCN(CC(=O)N[C@H](C(=O)OC)C(C)C)CC1 809968038 KUNUQMPKOGQDBM-HNNXBMFYSA-N 309.410 -0.059 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)CC2CCN(C)CC2)CC1 813439503 VNPFHIUWYXITMS-UHFFFAOYSA-N 320.437 -0.388 30 20 DBED C[S@@](=O)CCN1CCN(C(=O)[C@](C)(C#N)CC(=O)O)CC1 820899665 AITNMYVLSGBFMT-YEJXKQKISA-N 315.395 -0.486 30 20 DBED O=C(N[C@H]1CCCN(O)C1=O)[C@@H]1CCCN1c1ncccn1 848137262 BSAKCBHMPXISBF-QWRGUYRKSA-N 305.338 -0.058 30 20 DBED C#CCNS(=O)(=O)N1CCN(Cc2nccnc2C)CC1 878315664 UEUDOSLIOFPWPV-UHFFFAOYSA-N 309.395 -0.630 30 20 DBED C#CCC[C@@H](O)CNC(=O)Cn1cccc(C(=O)OC)c1=O 935807583 JMEIBKSVDYPGHL-LLVKDONJSA-N 306.318 -0.475 30 20 DBED CC(=O)N1CC(C(=O)N(C)[C@H]2CCN(C(=O)C#CC3CC3)C2)C1 937347111 HDSOGTBHUSKBGS-HNNXBMFYSA-N 317.389 -0.063 30 20 DBED Cn1cc(C(=O)N2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)nn1 937845159 RXHRHPQXUZJHSU-JTQLQIEISA-N 313.321 -0.341 30 20 DBED CO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1NC(=O)c1cc(C)ncn1 941552675 MQXIGRCOZGYITJ-ZWKOPEQDSA-N 317.349 -0.100 30 20 DBED C#CCCN1CC[C@@H](NC(=O)Cn2ccc(O)nc2=O)C[C@@H]1C 947511152 OALNTGLNIHHDLI-QWHCGFSZSA-N 318.377 -0.059 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(NC(=O)c2cc(=O)n(C)cn2)CC1 948109947 PIHISQDBKYQFTH-JTQLQIEISA-N 317.349 -0.339 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)[C@@H]1CCOC1 950755984 ZCVDYZIRBDWYLD-KFWWJZLASA-N 319.405 -0.162 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(N(C)C(=O)[C@H]2CCC(=O)N2)CC1 953813501 OPBJXVVUPPXOOB-CMPLNLGQSA-N 306.366 -0.126 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(N(C)C(=O)[C@@H]2CN(C)CCO2)CC1 953831207 MALJKQGALFKJPE-JSGCOSHPSA-N 322.409 -0.074 30 20 DBED C[C@H]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)C(N)=O 955798131 WLUKSFVCQFKZRH-WPRPVWTQSA-N 303.322 -0.519 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H]1CNC(=O)c1c[nH]c(C(N)=O)c1 956192933 PEFHJVURYORQMK-KOLCDFICSA-N 317.349 -0.006 30 20 DBED CC#CCN1C[C@@H](O)[C@H](CNC(=O)c2cccc(C(N)=O)c2)C1 958190832 NYFZBBJFHMMQPP-HUUCEWRRSA-N 315.373 -0.169 30 20 DBED N#CCN1C[C@@H](O)[C@H](CNC(=O)c2cnc3[nH]c(O)nc3c2)C1 958195911 MIFZOQGPVPYOKR-MWLCHTKSSA-N 316.321 -0.790 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)C(N)=O)C[C@H]2C)nc1 958342805 XANZYHCANTUQBO-BXKDBHETSA-N 300.318 -0.875 30 20 DBED C#Cc1cncc(C(=O)NC[C@H]2CN(CCCO)C[C@H]2O)c1 958389315 DRKVSSWXLZHDPH-LSDHHAIUSA-N 303.362 -0.532 30 20 DBED CC#CCN1C[C@H](CNC(=O)c2ccc(C(N)=O)[nH]2)[C@@H](O)C1 958409536 UPSBZRWBNQMHEW-GWCFXTLKSA-N 304.350 -0.841 30 20 DBED C#CCN1C[C@H](CNC(=O)C2CCN(C(C)=O)CC2)[C@@H](O)C1 958657345 HEQRQUVWGMAXGO-GJZGRUSLSA-N 307.394 -0.713 30 20 DBED C=C(C)CN1C[C@@H](O)[C@@H](CNC(=O)c2c[nH]c(C(N)=O)c2)C1 958673685 VEVLSPWIBZIDCR-WCQYABFASA-N 306.366 -0.288 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cn2ccnc2)C1 958880969 BDKCTMAQBJHGSS-WOPDTQHZSA-N 305.338 -0.927 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cn[nH]c1 960073679 SQNZDXYETWDGMR-ZMLRMANQSA-N 303.322 -0.379 30 20 DBED C[C@H](C#N)C(=O)N1CCC2(CC1)C[C@@H]2NC(=O)Cn1ncnn1 963878297 KBPOPUUJGBAMPR-MNOVXSKESA-N 317.353 -0.670 30 20 DBED Cc1c[nH]c(C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2O)n1 964219049 QBTGLIMOXYCACR-NEPJUHHUSA-N 302.334 -0.567 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)c1cccnn1 964328934 KOAIDIHINCDQCR-MNOVXSKESA-N 303.322 -0.407 30 20 DBED C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1NC(=O)c1nc[nH]n1 966291545 UIPRAAIQTMVTAK-KCJUWKMLSA-N 313.321 -0.105 30 20 DBED CN1CC[C@@H](C(=O)N2C[C@H]3CC[C@H]2CN3CC#N)S1(=O)=O 971911801 QRBQNWAXIOLLBF-WOPDTQHZSA-N 312.395 -0.781 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2nc[nH]n2)C1 974368767 IOGGGLRUINZYQN-YTWAJWBKSA-N 305.338 -0.227 30 20 DBED C=CCCN1C[C@H]2[C@H](CNC(=O)C3CC(=O)NC(=O)C3)[C@H]2C1 978864978 RMELOZLJCJTZJN-XYYAHUGASA-N 305.378 -0.091 30 20 DBED C#CCN[C@H]1CN(C(=O)CN2C(=O)NC(=O)C2(C)C)CC1(C)C 996487250 KEWYSMZAXPQDHU-NSHDSACASA-N 320.393 -0.223 30 20 DBED C#Cc1ccc(C(=O)N2C[C@@H](NCC(N)=O)C(C)(C)C2)cn1 996537318 XPHZRFINJORLJX-CYBMUJFWSA-N 300.362 -0.012 30 20 DBED CC(=O)N1CCOC[C@H]1C(=O)N1C[C@H](NCC#N)C(C)(C)C1 996640969 CWPGZHGIUHBRLE-STQMWFEESA-N 308.382 -0.416 30 20 DBED C=CCN1CC[C@@H](NC2CCN(C(=O)c3cnn[nH]3)CC2)C1=O 996752205 NWCBRPGDGITDBV-GFCCVEGCSA-N 318.381 -0.214 30 20 DBED C=CCn1cc(C(=O)NCC2CN(C(=O)CC(C)(C)O)C2)nn1 1001961124 QDPZONPADTYXJE-UHFFFAOYSA-N 321.381 -0.187 30 20 DBED CC#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCS(=O)(=O)N1 1018281923 KGUQWSCPBXNZOG-XQQFMLRXSA-N 311.407 -0.623 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H](N[C@@H]3CCNC3=O)C2)nn1 1019482980 DSERKCHRNKSPDS-WDEREUQCSA-N 304.354 -0.843 30 20 DBED C=C(Br)CN[C@H]1C[C@@H](NC(=O)Cn2ncnn2)C1 1022082866 IFLPWXKXTCNHEM-DTORHVGOSA-N 315.175 -0.182 30 20 DBED N#CCN1CCC[C@H]1CNC(=O)c1coc(S(N)(=O)=O)c1 1027977723 XPUPPTUSSQAYPS-JTQLQIEISA-N 312.351 -0.355 30 20 DBED C#CCN1CCC[C@H]1CNC(=O)c1cc(=O)n2[nH]cnc2n1 1028260487 KNAGCCLWNPNMSF-JTQLQIEISA-N 300.322 -0.755 30 20 DBED C=C(C)CN1[C@H]2CC[C@H]1CN(C(=O)CN1C(=O)CNC1=O)C2 1029577513 VRJHQQORRCHDFP-RYUDHWBXSA-N 306.366 -0.211 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1CCCCN(CC(=O)NC)C1 1034247881 VQDDNJGAVMZGSK-GJZGRUSLSA-N 320.437 -0.199 30 20 DBED Cn1nnc(CNC[C@H]2CCCN2C(=O)c2ccc(C#N)[nH]2)n1 1034912883 XZDZENSDTBGMIC-LLVKDONJSA-N 314.353 -0.196 30 20 DBED C=CCN1CCO[C@H](CNC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 1035458180 CHLBMSVRQFBAKZ-OLZOCXBDSA-N 319.365 -0.632 30 20 DBED CC#CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1cc(C(N)=O)cn1C 1037487760 RTBAONZMNXSRFU-SCDSUCTJSA-N 300.362 -0.050 30 20 DBED C#CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)CN1C(=O)NC(=O)C1(C)C 1037653873 SDEUWSYORJOSNL-SCVCMEIPSA-N 304.350 -0.861 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC[C@](O)(CNC(=O)c2ncc[nH]2)C1 1039659616 DHABLNILFNPDCM-GJZGRUSLSA-N 322.365 -0.570 30 20 DBED Cc1ncn(C)c1C(=O)NC[C@]1(O)CCN(C(=O)[C@@H](C)C#N)C1 1040123339 IZRUUJZMMGWBSL-ZUZCIYMTSA-N 319.365 -0.419 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(O)(CNC(=O)C(F)F)C1 1041081461 POKCSXDJDOPIDC-UWVGGRQHSA-N 318.320 -0.078 30 20 DBED C=CCCO[C@H](C)C(=O)NCC1(O)CN(C(=O)c2cnon2)C1 1041874893 WXJZOVUVLZGIQY-SNVBAGLBSA-N 324.337 -0.646 30 20 DBED C=CCCCC(=O)N1CC(O)(CNC(=O)c2cnn(C)c2N)C1 1042703677 ONPIEFFYYFZUJY-UHFFFAOYSA-N 321.381 -0.338 30 20 DBED Cc1c[nH]nc1C(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1042951793 RKBRGMTZQSKXNZ-UHFFFAOYSA-N 302.334 -0.565 30 20 DBED CC(=O)CCCC(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042958309 JFBVXEFXGRDSLU-UHFFFAOYSA-N 306.362 -0.151 30 20 DBED CCN1CCCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@H](C)C#N)C1 1043432582 JAELKSITDHBBAA-OLZOCXBDSA-N 322.409 -0.290 30 20 DBED C[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)C[C@H]1Nc1cncc(C#N)n1 1043472257 AAWAIQXTSCMQPX-DVVUODLYSA-N 315.337 -0.712 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)c2c(C)n[nH]c2C)C1 1044720252 KJVYAXSYRBMHEC-UHFFFAOYSA-N 322.365 -0.468 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)c2cccc(O)n2)C1 1045540137 DCKLWALACFKBFX-SECBINFHSA-N 304.306 -0.750 30 20 DBED CCc1ncoc1C(=O)NCC1(O)CN(C(=O)[C@H](C)C#N)C1 1046327796 HGQWLHGRPUEXLJ-SECBINFHSA-N 306.322 -0.300 30 20 DBED N#Cc1ccc(N[C@H]2C[C@@H](CNC(=O)[C@@H]3CNC(=O)N3)C2)cn1 1046561780 AZRVWLXPMOAZMO-BIMULSAOSA-N 314.349 -0.059 30 20 DBED C=C(C)CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CN(C)CCO2)C1 1047333812 PKKRJIMQIDRPKI-SOUVJXGZSA-N 311.426 -0.213 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2csnn2)C1 1049120929 DGYLMPGQGZFKLW-RYUDHWBXSA-N 322.390 -0.159 30 20 DBED CC#CCN1C[C@H]2CN(C(=O)CN3C(=O)CN(C)C3=O)C[C@H]2C1 1049205399 KFXVGYCVWZOGAO-BETUJISGSA-N 318.377 -0.706 30 20 DBED C#CCN1C[C@H]2CN(C(=O)c3cn(C)c(=O)nc3O)C[C@H]2C1 1049211594 AZUNNQRFKGAGGH-PHIMTYICSA-N 302.334 -0.877 30 20 DBED C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1nnc(O)nc1O 1049574027 YHKFFURTRSUAQS-ZJUUUORDSA-N 303.322 -0.405 30 20 DBED C=CCn1cc(C(=O)N2CCC[C@@H]3[C@H]2CCN3CC(N)=O)nn1 1049773955 TYPCBEILIQICOA-CHWSQXEVSA-N 318.381 -0.372 30 20 DBED Cn1cnn(CC(=O)N2CCC[C@H]3CN(CC#N)C[C@H]32)c1=O 1050081770 RAVWAJVNTLMHGW-NWDGAFQWSA-N 304.354 -0.972 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)[C@@H]1CN(C(C)C)CCO1 1051082349 YWEOEEZCQUAROY-GJZGRUSLSA-N 309.410 -0.454 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2COCCN2CCOC)nn1 1051153012 PEKFPTDORMHLBE-LBPRGKRZSA-N 309.370 -0.459 30 20 DBED C=CCCn1cc(C(=O)NC[C@H]2COCCN2CC#N)nn1 1051156714 XHQKCTIFBDKMLB-LBPRGKRZSA-N 304.354 -0.192 30 20 DBED C=CCCN1CCN([C@H]2CCN(C(=O)Cn3ncnn3)C2)CC1 1052027483 GLVGCUVEOJRFPS-AWEZNQCLSA-N 319.413 -0.532 30 20 DBED C[C@H](C#N)C(=O)N1CCOC2(C1)CN([C@H]1CCN(C)C1=O)C2 1053191087 LTUHCKJWDSKPBX-NEPJUHHUSA-N 306.366 -0.710 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)c1cccn(C)c1=O)CCO2 1053512440 QJJBBCMDJHGCKX-UHFFFAOYSA-N 315.373 -0.065 30 20 DBED Cn1c(C(=O)NC[C@@H]2CCC3(CN(CC#N)C3)O2)cccc1=O 1053659647 VVIGXNSTHNIZGG-LBPRGKRZSA-N 316.361 -0.128 30 20 DBED COCCn1cc(C(=O)N[C@H]2COC3(C2)CN(CC#N)C3)nn1 1053796680 NFBVKJCTYCUJCK-LLVKDONJSA-N 320.353 -0.979 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)c3cnc4cccnn34)CO2)C1 1053948657 QCYVSQUTGWFUIJ-LLVKDONJSA-N 312.333 -0.174 30 20 DBED Cc1nonc1C(=O)N[C@]1(CO)CCCN(C(=O)[C@H](C)C#N)C1 1055998869 WIYVIKHQTKTVTG-YMTOWFKASA-N 321.337 -0.379 30 20 DBED C[C@]1(C(=O)N2CC[C@@H](Nc3cnc(C#N)cn3)C2)CCNC1=O 1056777136 LJDBIMQGWNSWNU-BMIGLBTASA-N 314.349 -0.113 30 20 DBED C[C@]1(C(=O)N2CC[C@@H](Nc3cncc(C#N)n3)C2)CCNC1=O 1056777159 MLQOZPHQWXNXGO-BMIGLBTASA-N 314.349 -0.113 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](N(C)c2nccn3nnnc23)C1 1056871467 LEYSIAKYQMFSLZ-ZJUUUORDSA-N 300.326 -0.284 30 20 DBED O=C(C#CC1CC1)NCCN(CCO)C(=O)C[C@H]1CCCO1 1057071866 RZDRZPFPPMEYRS-CQSZACIVSA-N 308.378 -0.094 30 20 DBED C#CCO[C@H](C)C(=O)NCCN(CCO)C(=O)CCCOC 1057080193 JQSDADWVRJQNQD-CYBMUJFWSA-N 314.382 -0.612 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)C(C)(C)c1cnc[nH]1 1058160622 DCRDGMIOYCDKFH-LLVKDONJSA-N 321.381 -0.216 30 20 DBED N#Cc1cncc(N2CC[C@@H](NC(=O)c3c[nH]c(=O)cn3)C2)n1 1058532860 MPSVQISWQKUAEE-SECBINFHSA-N 311.305 -0.560 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)Cc1cncs1 1058659459 ZLXKFTBXZZHGHL-SNVBAGLBSA-N 310.379 -0.218 30 20 DBED C[C@@H](C#N)C(=O)NCC[C@H]1CCN(C(=O)CN2CCOCC2)C1 1059493270 MZEABBJZVBDIIM-KBPBESRZSA-N 322.409 -0.167 30 20 DBED N#Cc1ccc(N[C@H]2C[C@@H](NC(=O)C[C@@H]3CCNC3=O)C2)nn1 1059738858 LMYVCUSSWVRCHL-ZMLRMANQSA-N 314.349 -0.066 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](CCNC(=O)C2(C(N)=O)CC2)C1 1060285636 BMXMRUGKYQNTEG-MNOVXSKESA-N 306.366 -0.234 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](CCNC(=O)CC(N)=O)C1 1060419851 IQAVLSYREICJHQ-UPJWGTAASA-N 323.393 -0.192 30 20 DBED CC#CCCCC(=O)N1CCOC[C@@H]1CNC(=O)CNC(C)=O 1061206695 QGARCQVDRXRIKB-AWEZNQCLSA-N 323.393 -0.340 30 20 DBED C=CCCC(=O)N1CCOC[C@H]1CNC(=O)[C@@H](C)CC(N)=O 1061750214 SARMKTQWWHHBEO-NWDGAFQWSA-N 311.382 -0.192 30 20 DBED Cc1nonc1CC(=O)NC[C@H]1COCCN1C(=O)[C@@H](C)C#N 1061855399 OAZQARMCJURNEB-ONGXEEELSA-N 321.337 -0.576 30 20 DBED CS(=O)(=O)CC(=O)N1CCC[C@@H]1CN=c1cc[nH]cc1C#N 1063447892 MEAKVSQNQPAYJQ-GFCCVEGCSA-N 322.390 -0.177 30 20 DBED N#Cc1nc(=NC[C@@H]2CCCN2C(=O)Cn2nccn2)cc[nH]1 1064958419 KKQXPQIWSQDDNA-NSHDSACASA-N 312.337 -0.535 30 20 DBED C#CCNC(=O)CC(=O)N1CCO[C@H](CNC(=O)C2CCC2)C1 1065064569 DHNZGNGSHOYXJL-CYBMUJFWSA-N 321.377 -0.730 30 20 DBED CCCN(C)CC(=O)NC[C@H]1CN(C(=O)[C@H](C)C#N)CCO1 1065557456 RDQXOUVQJMTHOT-OLZOCXBDSA-N 310.398 -0.169 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)C2(CN(C)C)CC2)C1 1065557985 XMLNCNMLBFZGMA-STQMWFEESA-N 322.409 -0.169 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)CCO1 1065626890 ICVMSPVGHCXIAN-XQQFMLRXSA-N 321.377 -0.889 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1COC2(C1)CN(C(=O)c1csnn1)C2 1069003242 LDLRHLVAGACGGA-DTWKUNHWSA-N 321.362 -0.203 30 20 DBED C[C@@H]1C[C@H](N=c2cc[nH]cc2C#N)CN1C(=O)CS(C)(=O)=O 1069039347 BPZKGGSUTVHAFF-PWSUYJOCSA-N 322.390 -0.179 30 20 DBED CCc1nc(C#N)cc(N[C@@H]2C[C@H](C)N(C(=O)C(N)=O)C2)n1 1069184352 YLMXMSZFCZVBKA-WCBMZHEXSA-N 302.338 -0.203 30 20 DBED N#CCN1CCn2ncc(CNC(=O)c3c[nH]c(=O)cn3)c2C1 1069871420 BUJDJYWNUDLQOF-UHFFFAOYSA-N 313.321 -0.764 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@]2(C)CCNC2=O)C1 1070023129 CKTXJPJPCHCCOR-TYNCELHUSA-N 318.381 -0.668 30 20 DBED N#CCN[C@@H]1CN(C(=O)c2ccnc(O)c2)C[C@@H]1n1ccnn1 1070174498 RQWLLXHKUUSKEU-NEPJUHHUSA-N 313.321 -0.442 30 20 DBED Cn1cncc1[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NCC(N)=O 1070647744 BKTMJGIWPLGLNJ-CHWSQXEVSA-N 315.377 -0.797 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)[C@@H]4CCCNC4=O)C[C@@]3(C1)O2 1070812162 ZBWAOCMBFNOCDH-VMUDFCTBSA-N 317.389 -0.553 30 20 DBED N#CCN1C[C@H]2C[C@@H]3CN(C(=O)[C@@H]4CCC(=O)NC4)C[C@@]3(C1)O2 1070819152 WQSSGTPGKPYUEM-BRXULGCHSA-N 318.377 -0.662 30 20 DBED C#CCCN1CCNC(=O)CCN(C(=O)[C@H]2CCN(C)C2)CC1 1071020403 APVYAMJKQHZIIW-HNNXBMFYSA-N 320.437 -0.388 30 20 DBED CC#CCN1CC[C@@]2(C1)CN(C(=O)C1(C(N)=O)CC1)C[C@H](C)O2 1071205895 AHFTUTXMDHRFHZ-XJKSGUPXSA-N 319.405 -0.033 30 20 DBED CC(=O)N(C)CC(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C 1072047180 AUGANRCANXTBHI-BXUZGUMPSA-N 305.378 -0.159 30 20 DBED CC(C)C#CC(=O)N1C[C@H](C)[C@H](NC(=O)CCNC(N)=O)C1 1072049468 UFNKIQNYVKBFMD-NWDGAFQWSA-N 308.382 -0.333 30 20 DBED C=CCCOCC(=O)N1C[C@H](C)[C@H](NC(=O)c2cn(C)nn2)C1 1072334214 YAHUVZVPVKHWFK-NWDGAFQWSA-N 321.381 -0.016 30 20 DBED C[C@@H](C(N)=O)N1CCCO[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 1073565299 DBPHUNMEBCWMNV-CMPLNLGQSA-N 319.365 -0.419 30 20 DBED C[C@H]1[C@@H](NCC#N)CCN1C(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 1074648507 BIEWJFADBKHSMY-LOWVWBTDSA-N 316.365 -0.135 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)Cc1cnc[nH]1 1076220192 SXLMLCVCYXXWOE-NSHDSACASA-N 319.365 -0.897 30 20 DBED C#CCCCC(=O)NCC[C@H](C)NC(=O)C[C@H]1CC(=O)NC1=O 1076303705 GMGFBTMJBHKHMZ-RYUDHWBXSA-N 321.377 -0.146 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCCCN2C(C)=O)C1 1077820599 BJJDZEDYVUPILI-RRFJBIMHSA-N 307.394 -0.428 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)c2nc3ncccn3n2)C1 1077867702 ZLEHOALWXANDFZ-GHMZBOCLSA-N 302.338 -0.525 30 20 DBED C[C@@H](CCNC(=O)[C@H]1C[C@H]1C(N)=O)NC(=O)c1cc(C#N)c[nH]1 1078486917 VXQKPRCNBWJTGN-GDPRMGEGSA-N 317.349 -0.368 30 20 DBED C#CCN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)c1cnc(O)n(C)c1=O)C2 1079013002 RVIXPGJVXUJWOI-RAIGVLPGSA-N 316.361 -0.298 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(N(CC)C(=O)[C@H]2CCC(=O)N2)C1 1079486706 IBBRCODZQOZSBU-WBMJQRKESA-N 323.393 -0.349 30 20 DBED CCN(C(=O)[C@H](C)NC(=O)COC)C1CN(C(=O)[C@@H](C)C#N)C1 1079914075 WNRSAHSPVUGCFQ-QWRGUYRKSA-N 324.381 -0.644 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(N(CC)C(=O)Cn2cncn2)C1 1080584220 OZFYJAQPSBKJLO-HNNXBMFYSA-N 321.381 -0.336 30 20 DBED C=C[C@H](CC)CC(=O)N1CCC(CO)(NC(=O)C(N)=O)CC1 1080978613 KHVFARFZXNUQBC-LLVKDONJSA-N 311.382 -0.456 30 20 DBED C=CCOCC(=O)N1C[C@H](CNC(=O)c2cc[nH]n2)[C@@H](O)C1 1081285634 ANQAXVXPLGVTKQ-JQWIXIFHSA-N 308.338 -0.839 30 20 DBED C#CCCCCCC(=O)N1C[C@H](O)[C@H](CNC(=O)CC(N)=O)C1 1081361040 XWWHFJHEUYVDDV-OLZOCXBDSA-N 323.393 -0.619 30 20 DBED C#CCCCC(=O)N1C[C@H](CNC(=O)Cc2cc[nH]n2)[C@@H](O)C1 1081369267 WJZAOKJLLHOTHE-JSGCOSHPSA-N 318.377 -0.309 30 20 DBED CCN(CC)CC(=O)NC[C@@H]1CN(C(=O)C#CC(C)C)C[C@H]1O 1081506446 SOPBBAYGSYGKCG-HUUCEWRRSA-N 323.437 -0.077 30 20 DBED CCN(C)CCC(=O)NC[C@@H]1CN(C(=O)C#CC(C)C)C[C@H]1O 1081773705 FHAVNODHUDMXHI-HUUCEWRRSA-N 323.437 -0.077 30 20 DBED CCN(C)CCC(=O)NC[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1081774581 QUKDJLJTBFNZCT-HUUCEWRRSA-N 321.421 -0.323 30 20 DBED C#CCCN1C[C@@H](NC(=O)[C@H]2CN(C(C)=O)CCO2)[C@H](OC)C1 1082351531 YWBICLVPKFZLPP-RBSFLKMASA-N 323.393 -0.928 30 20 DBED C#Cc1ccc(C(=O)N2CCO[C@@H]3CN(C[C@H](C)O)C[C@@H]32)cn1 1083252997 RAQGABJTPWFRPH-VBNZEHGJSA-N 315.373 -0.031 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)c2cc3c(cn2)OCCO3)C1 1083533061 XBZXQRBNFUWGKA-OLZOCXBDSA-N 317.345 -0.349 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2ccc(-n3cncn3)cc2)C1 1083542267 QTGLPTSRDYHMEH-CABCVRRESA-N 311.345 -0.325 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2ccnn2C)C1 1083662398 ODCYFDJFBBYFHY-BHPKHCPMSA-N 302.378 -0.292 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCc3nc[nH]c3C2)C1 1083929111 ODMBZLAOBKQVOL-DFBGVHRSSA-N 302.378 -0.301 30 20 DBED C#CCN1CC[C@@H]1CN(C)C(=O)c1ccc(S(N)(=O)=O)o1 1085696738 RXNDYGQOQQDUBD-SNVBAGLBSA-N 311.363 -0.294 30 20 DBED CC#CCN1CC[C@H]1CN(C)C(=O)c1nccnc1C(N)=O 1085963231 BJGKMYOUKFZMDO-NSHDSACASA-N 301.350 -0.255 30 20 DBED N#CCN[C@H]1C[C@@H](CNC(=O)c2cn(C[C@@H]3CCOC3)nn2)C1 1086238055 ZVEWFGRNNNYJPK-RWMBFGLXSA-N 318.381 -0.064 30 20 DBED CC(=O)NCC(=O)N[C@H]1CC[C@H](C)N(c2ccnc(C#N)n2)C1 1089115689 JYQJFNKFJDQBLN-JQWIXIFHSA-N 316.365 -0.042 30 20 DBED CCN(c1ccnc(C#N)n1)[C@H](C)CNC(=O)C1(C(N)=O)CC1 1089739967 COEPHDVMYSVQSL-SNVBAGLBSA-N 316.365 -0.055 30 20 DBED N#CCN1C[C@@H](NC(=O)Cn2cncn2)CC2(CCOCC2)C1 1089968786 PONMZUYWARILCC-ZDUSSCGKSA-N 318.381 -0.211 30 20 DBED CC(C)(C)n1cnc(C(=O)N[C@@H]2CCN(CC#N)C[C@@H]2O)n1 1090568292 DUPCXYJJROADEC-MNOVXSKESA-N 306.370 -0.278 30 20 DBED C#CCN1CC[C@H](NC(=O)Cc2cn(C)nc2Cl)[C@H](O)C1 1090568680 HTICADXKXUDPQO-NWDGAFQWSA-N 310.785 -0.199 30 20 DBED N#CCN1CC[C@H](NC(=O)c2cnc3cccnn23)[C@H](O)C1 1090631732 WPKLWLDOHIFSGY-CMPLNLGQSA-N 300.322 -0.582 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2cccn3c(O)nnc23)[C@H](O)C1 1090722556 NRAUVWLDGWDXHE-VXGBXAGGSA-N 315.333 -0.767 30 20 DBED C[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1NC(=O)CC(=O)N(C)C 1090833227 KWMFEAQAUPHEIY-ZYHUDNBSSA-N 316.365 -0.233 30 20 DBED CO[C@@H](C)C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1OC 1090864830 NHPDWRFSWKORJE-MVWJERBFSA-N 305.338 -0.297 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(c2nc(CC)ns2)C[C@@H]1O 1091152974 NLWKLCOAHCCPRY-AXFHLTTASA-N 324.406 -0.196 30 20 DBED N#Cc1nccc(N2CC[C@H](NC(=O)C#CC3CC3)[C@H](O)C2)n1 1092152085 QEEMXUAQCZEIDT-QWHCGFSZSA-N 311.345 -0.183 30 20 DBED C[C@]1(C(=O)N2CCC(OC3CN(CC#N)C3)CC2)CCNC1=O 1093572828 SGGSVNCVJCABFD-INIZCTEOSA-N 320.393 -0.272 30 20 DBED CC(=O)N1CCC[C@@H](C(=O)NCCN=c2cc[nH]c(C#N)n2)C1 1093979165 VMTQOODSHOHFNZ-GFCCVEGCSA-N 316.365 -0.443 30 20 DBED Cc1cc(=NCCNC(=O)[C@@H]2CC[C@H]2C(N)=O)c(C#N)c[nH]1 1094035220 WPOFGIWIMCAWHX-VXGBXAGGSA-N 301.350 -0.277 30 20 DBED C#CCCN1CCN(C(=O)c2cc[nH]c2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094634640 DPIRUXVOTCKUKY-UONOGXRCSA-N 321.402 -0.039 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)[C@@H]3CCCCO3)CC2=O)C1 1094727902 RAHWMJRCQFDRCQ-OCCSQVGLSA-N 305.378 -0.410 30 20 DBED Cc1cc(C#N)nc(NCCCNC(=O)c2c[nH]c(=O)cn2)n1 1094736731 PRRNJYPSBJSCEW-UHFFFAOYSA-N 313.321 -0.028 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)[C@@H]3CCC(=O)NC3)CC2=O)C1 1094758271 ZSPXWZHQAXCZAG-NEPJUHHUSA-N 320.393 -0.900 30 20 DBED C=CCOCC(=O)N1CC[C@@H](N=c2cc[nH]c(C(=O)OC)n2)C1 1095027209 RPMVARULAIAZTO-LLVKDONJSA-N 320.349 -0.100 30 20 DBED CN(C)CCOCC(=O)N1CC[C@@H](Nc2cnc(C#N)cn2)C1 1095048953 UNQWRNOVVRTLAH-GFCCVEGCSA-N 318.381 -0.061 30 20 DBED CC(=O)N[C@H](C)C(=O)NC1CCN(c2ccnc(C#N)n2)CC1 1095387923 XXHNTJDIJWJIGG-SNVBAGLBSA-N 316.365 -0.042 30 20 DBED C[C@H](C#N)C(=O)NC1CCN(c2ccc3nnnn3n2)CC1 1095399094 OCCPLBLNOAPRRJ-SECBINFHSA-N 300.326 -0.236 30 20 DBED C[C@H](CC(=O)N[C@H]1CCN(c2ccc(C#N)nn2)C1)NC(N)=O 1096439962 PCJSDLLULLHKNJ-KOLCDFICSA-N 317.353 -0.510 30 20 DBED N#Cc1cnc(N[C@H](CNC(=O)Cn2cnnn2)C2CC2)cn1 1096568543 ZSVKOHAPIHSXSZ-LLVKDONJSA-N 313.325 -0.658 30 20 DBED CCS(=O)(=O)CC(=O)NC[C@@H](C)N=c1cc[nH]cc1C#N 1097900455 PNZOMNGQUQXJHS-SNVBAGLBSA-N 310.379 -0.274 30 20 DBED CC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H]1CCS(=O)(=O)N1 1098428847 QVLRCHSIVFPQGL-LPWJVIDDSA-N 311.407 -0.577 30 20 DBED C[C@H](CCNC(=O)Cn1nccn1)Nc1nccnc1C#N 1099537845 XRIZGFHVDTVYBD-SNVBAGLBSA-N 300.326 -0.053 30 20 DBED C=C(Cl)CN1CC[C@H](NC(=O)CS(C)(=O)=O)[C@@H](O)C1 1099718376 LTHPMTUGUBGUQH-UWVGGRQHSA-N 310.803 -0.665 30 20 DBED C=CCN1CC[C@@H](NC(=O)CCn2ccccc2=O)[C@H](O)C1 1099858921 TYCSBDHATRLXCJ-ZIAGYGMSSA-N 305.378 -0.024 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2[nH]c(C)nc2C)[C@@H](O)C1 1100006991 VZSRJGAUQDTUEK-KBPBESRZSA-N 320.393 -0.159 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2ccc(O)nc2)[C@@H](O)C1 1100094926 UVKHBSUSMIGSCI-KGLIPLIRSA-N 319.361 -0.398 30 20 DBED C=CCCOCC(=O)N[C@@H]1CCN(CC(=O)NCC)C[C@H]1O 1100138803 LBNFWIIRKSYLCK-CHWSQXEVSA-N 313.398 -0.733 30 20 DBED C#CCNC(=O)CC(=O)N(C)CCNc1cc(COC)ncn1 1101551130 UMNMUYSZCSLZEX-UHFFFAOYSA-N 319.365 -0.367 30 20 DBED C=CCOCCN1C[C@@H](C)[C@H](CNC(=O)[C@H]2COC(=O)N2)C1 1101931010 GACQGCFPXGRQEJ-JHJVBQTASA-N 311.382 -0.019 30 20 DBED C[C@H](NC(N)=O)C(=O)N(C)[C@@H](C)CNc1cncc(C#N)n1 1104535094 KRUOCNYBUWRRHX-IUCAKERBSA-N 305.342 -0.336 30 20 DBED CN(CCN(C)c1ccc2nnnn2n1)C(=O)CSCC#N 1105329087 OIOBQYJIHFVSCG-UHFFFAOYSA-N 320.382 -0.329 30 20 DBED C#CCN1CC(OC2CCN(C(=O)[C@H](COC)OC)CC2)C1 1105724190 RCTVOYDXUQUUOF-HNNXBMFYSA-N 310.394 -0.027 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H](O)CNC(=O)[C@@H]1CCCOC1 1105742718 SYOCPAAOMOQXQE-DGCLKSJQSA-N 304.350 -0.309 30 20 DBED Cc1cc(CC(=O)NC[C@@H](O)CNc2cnc(C#N)cn2)n[nH]1 1105817105 WBRPNAZHTGORLX-LBPRGKRZSA-N 315.337 -0.489 30 20 DBED Cc1c[nH]nc1C(=O)NC[C@H](O)CN=c1cc[nH]cc1C#N 1105825722 ODVWKQAYWKNHLT-LLVKDONJSA-N 300.322 -0.391 30 20 DBED Cc1ccc(C(=O)NC[C@H](O)CNc2cnc(C#N)cn2)nn1 1105826360 DBTVCSBVDLWSSE-LLVKDONJSA-N 313.321 -0.351 30 20 DBED CN1C(=O)CC[C@H]1C(=O)NC[C@@H](O)CNc1ccc(C#N)cn1 1106053947 FCRUEMINZCBRSR-RYUDHWBXSA-N 317.349 -0.537 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)[C@@H]2[C@H]3COC[C@H]32)nn1 1106062912 OFRYOLKFBDNQQJ-DCQANWLSSA-N 303.322 -0.870 30 20 DBED C[C@H](CCNc1nccnc1C#N)NC(=O)CCn1cnnn1 1106418127 CEMQLMBAYOQJSM-SNVBAGLBSA-N 315.341 -0.268 30 20 DBED CS(=O)(=O)CC(=O)NC/C=C/CNc1cnc(C#N)cn1 1107105883 SRBRQUAZCTVQPG-NSCUHMNNSA-N 309.351 -0.523 30 20 DBED C#CCCCC(=O)NCc1cn(C2CN(CC(N)=O)C2)nn1 1107163770 AIYYNBQCEYRKRG-UHFFFAOYSA-N 304.354 -0.960 30 20 DBED N#CCN1CC[C@@]2(CNC(=O)C[C@@H]3NC(=O)NC3=O)CCC[C@@H]12 1107439550 FVTGDVLXYWHFGK-FIXISWKDSA-N 319.365 -0.531 30 20 DBED C=CCCC(=O)NC[C@]1(C)CN(Cc2nc(=O)n(C)[nH]2)CCO1 1107802393 QNUKXFRSROCKDJ-OAHLLOKOSA-N 323.397 -0.218 30 20 DBED C#CCNC(=O)CN1CCO[C@](C)(CNC(=O)CCC=C)C1 1107802701 XCNSMXNPVZBTIO-MRXNPFEDSA-N 307.394 -0.091 30 20 DBED C#CCCN1CCO[C@](C)(CNC(=O)CCc2cnn[nH]2)C1 1108224505 NCVBBJIEWCNQDJ-OAHLLOKOSA-N 305.382 -0.032 30 20 DBED Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCC#N)no1 1108899985 KFZFCEUOBZWARW-MDZLAQPJSA-N 317.349 -0.042 30 20 DBED CN(CCCNc1ccc(C#N)cn1)C(=O)[C@H]1CNC(=O)N1 1109598897 QHGBITDJDSHIQO-LLVKDONJSA-N 302.338 -0.105 30 20 DBED N#Cc1cncc(NC[C@H](NC(=O)CCNC(N)=O)C2CC2)n1 1109849961 JHZKGLQBDUXZOQ-NSHDSACASA-N 317.353 -0.287 30 20 DBED N#Cc1c[nH]ccc1=NC1(CNC(=O)[C@H]2COCCO2)CC1 1110058517 MWGLMJHOQBEGHS-CYBMUJFWSA-N 302.334 -0.149 30 20 DBED C=CCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1110178169 UDLDLIORNMGMBL-RDBSUJKOSA-N 320.393 -0.060 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1nnnn1C 1110546031 JPMKIXJCIBXZRV-LOWDOPEQSA-N 318.381 -0.530 30 20 DBED Cc1nn[nH]c1C(=O)N(CCO)CCNc1ccc(C#N)nc1 1111534810 HCDZNXKTWZEJFT-UHFFFAOYSA-N 315.337 -0.074 30 20 DBED CN(CCCN(C)c1nccnc1C#N)C(=O)[C@@H]1COC(=O)N1 1112074981 FCCFNOAAVWTNDC-NSHDSACASA-N 318.337 -0.259 30 20 DBED CN(CCCN(C)c1cnc(C#N)cn1)C(=O)[C@@H]1CCC(=O)N1 1112105465 NXGWQPCKZRETHA-LBPRGKRZSA-N 316.365 -0.088 30 20 DBED CN(CCCN(C)c1ncccc1C#N)C(=O)[C@H]1CNC(=O)N1 1112168566 VNPOQSMOPZCWML-GFCCVEGCSA-N 316.365 -0.081 30 20 DBED COCCCC(=O)NC[C@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1112704099 CBMVKDKEHTYFGP-RYUDHWBXSA-N 319.365 -0.312 30 20 DBED CNC(=O)NCCC(=O)N[C@@H](C)[C@@H](C)N=c1cc[nH]cc1C#N 1113002596 YKJUYYDYYVLIMH-MNOVXSKESA-N 318.381 -0.001 30 20 DBED CCC[C@H](OCC)C(=O)N1CCN(CC(=O)NCC#N)CC1 1113221428 QJGKINXPQCISIY-ZDUSSCGKSA-N 310.398 -0.024 30 20 DBED CN1CCC(CC(=O)N2CCN(CC(=O)NCC#N)CC2)CC1 1113403264 ZMSVKXOHAVIBNX-UHFFFAOYSA-N 321.425 -0.498 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H](C)N(C)c1ncc(F)cn1 1113567364 QIJRZIDTYOWERK-SNVBAGLBSA-N 307.329 -0.304 30 20 DBED CNC(=O)NCC(=O)NC[C@@H](C)N(C)c1nc(C)cc(C#N)n1 1113938467 IVRWTXVTRATHNH-SNVBAGLBSA-N 319.369 -0.473 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)Cc3ccn(C)n3)[C@H]2C1 1114246349 RSHWGMPMQLRXDL-FOLVSLTJSA-N 302.378 -0.341 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)Cc3cnoc3)[C@H]2C1 1114725151 ZRWUWPREFFQWNY-RYUDHWBXSA-N 304.350 -0.434 30 20 DBED C[C@@H]1CCCN1CC(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1114831996 JOKUIEYLSXPXDC-FOCJUVANSA-N 319.409 -0.843 30 20 DBED C=CCOCCN1C[C@H]2[C@H](NC(=O)C[C@@H]3CCC(=O)N3)[C@H]2C1 1114959428 CJWYJADQQJDFLV-BCUIYNNISA-N 307.394 -0.096 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)[C@H](C)OCC=C)[C@@H]2C1 1115332514 OPOZOEJPBNEMEY-YNEHKIRRSA-N 305.378 -0.627 30 20 DBED C#CCNC1(CNC(=O)CN2CCN(C)C(=O)C2)CCCCC1 1115606287 BDHONUIBALCLMO-UHFFFAOYSA-N 320.437 -0.198 30 20 DBED N#Cc1ncn(CC(=O)NCc2nnc(S)n2C2CC2)n1 1116311720 ULLUKQAYMZSMPB-UHFFFAOYSA-N 304.339 -0.319 30 20 DBED CCN(CC)C[C@@H](C)NC(=O)C(=O)N1CC[C@](O)(CC#N)C1 1118210832 NENDPRHXOFBNTM-IUODEOHRSA-N 310.398 -0.290 30 20 DBED C[C@@H]1CN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)CCN1 1118949304 YHGWBCQRZZNTMB-DGCLKSJQSA-N 305.382 -0.995 30 20 DBED C[C@@H](CN(C)C(=O)c1cnnc(O)c1)N=c1cc[nH]c(C#N)n1 1120230136 XXGDJLCTIIRALW-VIFPVBQESA-N 313.321 -0.162 30 20 DBED Cc1nn[nH]c1C(=O)N(C)C[C@H](C)N=c1cc[nH]c(C#N)n1 1120400956 YXQBUICDXIJDIB-QMMMGPOBSA-N 300.326 -0.231 30 20 DBED Cc1cc(=N[C@@H](CO)CNC(=O)c2ccon2)c(C#N)c[nH]1 1121113335 QCOLDGFCRBNQOG-LLVKDONJSA-N 301.306 -0.126 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](CO)Nc1ncnc2c1cnn2C 1121213259 PCHSCEOZBFHVBT-DTWKUNHWSA-N 303.326 -0.588 30 20 DBED CC(C)N(C)CC(=O)NC[C@H](CO)Nc1cnc(C#N)cn1 1121670792 UWSUJOBLXVJXPM-GFCCVEGCSA-N 306.370 -0.423 30 20 DBED N#Cc1nc(=N[C@H](CO)CNC(=O)[C@@H]2C[C@@H]3C[C@@H]3C2)cc[nH]1 1122385535 MXZROGRTEZLSOT-QCNOEVLYSA-N 301.350 -0.295 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)[C@]2(F)CCOC2)cn1 1122411109 NYYNEIMZGMEGCA-OCCSQVGLSA-N 308.313 -0.029 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)c1cnccn1 1122840591 PYSDNYFWRFYWAI-JTQLQIEISA-N 320.353 -0.804 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)Cn1cccn1 1123531848 WYGREMDDWMHVKN-UHFFFAOYSA-N 305.382 -0.211 30 20 DBED C=C(Br)CNCCNC(=O)[C@@H]1CN(C)CCO1 1125213061 APYJLVWAFZGPIM-JTQLQIEISA-N 306.204 -0.069 30 20 DBED C#CCNC(=O)CC(=O)NCCNCc1nc([C@H](C)OC)no1 1125978110 LQLKMSLMXIZBSA-JTQLQIEISA-N 323.353 -0.878 30 20 DBED C#CCOCCC(=O)NCCNCC(=O)NC1CCOCC1 1127027178 LCWIUOSYCBXZAV-UHFFFAOYSA-N 311.382 -0.973 30 20 DBED CC(=O)NCC(=O)N(C)CCOCCNc1ccc(C#N)nc1 1127150655 GYXCSTXTDUMRHH-UHFFFAOYSA-N 319.365 -0.024 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1c(F)cccc1OC 1127934770 PKIOPPGRSCQNMR-UHFFFAOYSA-N 307.325 -0.097 30 20 DBED N#CCNC(=O)CNCCNC(=O)CN1CCCCCCC1=O 1128823690 SMIFLRUHIWPONI-UHFFFAOYSA-N 323.397 -0.875 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)[C@H](C1CC1)N(C)C 1129436516 QDMIWFNPCIQREV-HNNXBMFYSA-N 323.441 -0.205 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)c2[nH]c(O)nc2C)C1=O 1129996112 BDVZGCGUEPLPDP-SNVBAGLBSA-N 307.354 -0.470 30 20 DBED C=CCCN[C@@H]1CN(C(=O)c2cnon2)C[C@@H]1n1ccnn1 1130047857 WZZBUCJCECLAKM-NEPJUHHUSA-N 303.326 -0.108 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@H]1CC[C@@H]2CCCCN21 1130187505 WTNUAYVTHBTBMR-UONOGXRCSA-N 306.410 -0.542 30 20 DBED N#CCN1CC[C@@H](c2n[nH]cc2CNC(=O)CCNC(N)=O)C1 1130450882 YXHMWYMKKGKTPJ-SNVBAGLBSA-N 319.369 -0.603 30 20 DBED CC#CCN1CC[C@@]2(C1)CN(C(=O)CNC(N)=O)C[C@@H](C)O2 1131632672 NOESCUYFAWZGDJ-IUODEOHRSA-N 308.382 -0.630 30 20 DBED C#CCNC(=O)CNCCNC(=O)CC1(N(C)C)CCCC1 1131834515 AFLVYGSSKWMPNH-UHFFFAOYSA-N 308.426 -0.294 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)C1(CF)CC1 1133643228 KEBPNWVMUZSAQP-SNVBAGLBSA-N 314.361 -0.158 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)C[C@H](C)NCc1cncn1C 1134130916 OFEICPRTBVLAHY-QWHCGFSZSA-N 319.409 -0.068 30 20 DBED C#CCN[C@H](C)C[C@@H](C)NC(=O)CCCn1c(O)nnc1O 1134784388 SYVUOIIYKACBDC-GHMZBOCLSA-N 309.370 -0.024 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)c1coc(OC)n1 1135092072 HMTWEGXHKIBULM-MNOVXSKESA-N 322.365 -0.081 30 20 DBED C[C@@H](C[C@@H](C)NCC#N)NC(=O)CCn1cc[nH]c(=O)c1=O 1135688073 ZVUSVIRHNWBLAF-MNOVXSKESA-N 307.354 -0.677 30 20 DBED C=CCCOCC(=O)N[C@H](C)C[C@H](C)NCC(=O)NC(N)=O 1146692401 JNLJJCVUCZSCAN-WDEREUQCSA-N 314.386 -0.353 30 20 DBED C#CCCCC(=O)NCCCNCc1cc(=O)n(C)c(=O)n1C 1157182849 GYRAGHBTDQADOS-UHFFFAOYSA-N 320.393 -0.517 30 20 DBED N#CCNC(=O)CNCCCNC(=O)[C@@H](C1CC1)N1CCCC1 1163223499 JUFASZZQCSPKNU-OAHLLOKOSA-N 321.425 -0.404 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)c2ccnnc2)C1=O 1167281003 UIEYWZCBOVLMNR-ZDUSSCGKSA-N 303.366 -0.027 30 20 DBED C#CCN1CCC(C(=O)NCCC2(CNCC(N)=O)CC2)CC1 1168307419 HJBWWGPWPBTTSR-UHFFFAOYSA-N 320.437 -0.307 30 20 DBED C#CCOCCC(=O)N1CC[C@@H]2OCCN(CCCO)[C@@H]2C1 1177011348 BIUKIVPKPCIETJ-CABCVRRESA-N 310.394 -0.290 30 20 DBED CC(=O)NC(C)(C)C(=O)N1CC[C@H]2OCCN(CC#N)[C@H]2C1 1177106822 IHKDWXMXGGKJTE-QWHCGFSZSA-N 308.382 -0.274 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)C2CN(C(C)=O)C2)[C@H]1C 1178555356 LJFTYBRCVVXSOG-FZMZJTMJSA-N 322.409 -0.654 30 20 DBED Cc1nonc1CC(=O)N1CC[C@H](NCC(=O)NCC#N)[C@@H]1C 1179818550 VUURLXQAZNZAQN-QWRGUYRKSA-N 320.353 -0.861 30 20 DBED C=CCCOCC(=O)N1CC[C@H](NCC(=O)NCC#N)[C@@H]1C 1180253619 DPDYTKZCPKWGIL-STQMWFEESA-N 308.382 -0.202 30 20 DBED CO[C@@H](C)C(=O)N1C[C@@H](C)[C@](C)(CNCC(=O)NCC#N)C1 1180764635 GRYIWRUFHJHZJX-TYNCELHUSA-N 310.398 -0.265 30 20 DBED N#CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CN3CCC2CC3)C1 1182615498 HGDLERWPJBUXTR-KGLIPLIRSA-N 319.409 -0.842 30 20 DBED CNC(=O)CC(=O)N1CC[C@@H](CNCC#CCOC)[C@H](C)C1 1184259890 BICVJQCJUNCIIR-KGLIPLIRSA-N 309.410 -0.154 30 20 DBED C[C@H]1CN(C(=O)c2cnc(O)n(C)c2=O)CC[C@H]1CNCC#N 1184923162 KHZDORQZASSPLJ-QWRGUYRKSA-N 319.365 -0.303 30 20 DBED C#CCN1C[C@@H]2CCN(C(=O)CS(=O)(=O)CCOC)[C@@H]2C1 1188374592 AEHPDFXYDKGOSH-QWHCGFSZSA-N 314.407 -0.787 30 20 DBED COCCOC[C@H](O)CN(C)[C@@H]1CCN(C(=O)C#CC2CC2)C1 1190035536 FLRORGQBJYDASJ-HZPDHXFCSA-N 324.421 -0.044 30 20 DBED COCC#CCN(C)[C@H]1CCN(C(=O)C(=O)NCC(F)F)C1 1191090896 GDZOMKLABGYULY-NSHDSACASA-N 317.336 -0.450 30 20 DBED C[C@@H](NC(=O)CN1C[C@@H](O)[C@H](NC(=O)C#CC2CC2)C1)C1CC1 1192826265 FDNUAKKSZJHBPD-KCPJHIHWSA-N 319.405 -0.524 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCCN(C(=O)[C@H]2COCCO2)CC1 1194889069 FJHZGHCXDRTYSZ-ZIAGYGMSSA-N 323.393 -0.926 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)CCCn2ccccc2=O)C1 1195261296 DAMSOXSFSWJTLG-ZIAGYGMSSA-N 303.362 -0.577 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)CCCS(C)(=O)=O)C1 1196844514 GKYLRNNIWNVQJF-VXGBXAGGSA-N 304.412 -0.451 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCCN(C(=O)CCCC(N)=O)CC1 1198379384 OTUSRGAMAABXFT-CYBMUJFWSA-N 322.409 -0.686 30 20 DBED CO[C@@H](Cc1ccccc1)C(=O)N[C@@H]1CN(CC#N)C[C@H]1O 1198800053 VILYUYQSFGRLCN-KFWWJZLASA-N 303.362 -0.071 30 20 DBED N#CCNC(=O)CNC1CCN(C(=O)COCC2CC2)CC1 1199471388 VAZXANQRJJDTNQ-UHFFFAOYSA-N 308.382 -0.367 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)CC2CC2)CCCO1 1199673667 XAKUWCFLABVSHN-CQSZACIVSA-N 307.394 -0.257 30 20 DBED Cc1[nH]nc(C(=O)N2CCC(NCC(=O)NCC#N)CC2)c1O 1200085005 NKLUDXRKJGFEEG-UHFFFAOYSA-N 320.353 -0.742 30 20 DBED C=CCOCC(=O)N1CCCO[C@H](CNCc2cnon2)C1 1200109513 VSKOKLMTGFNWBL-CYBMUJFWSA-N 310.354 -0.021 30 20 DBED C=CCNC[C@H]1CN(C(=O)c2cn(C)c(=O)n2C)CCCO1 1202174052 PJKVPKQCEUNJRH-LBPRGKRZSA-N 308.382 -0.270 30 20 DBED C#CCN[C@H]1C[C@H](NC(=O)COCc2nncn2C)C12CCC2 1203558202 XSUHXTGCZICCIP-STQMWFEESA-N 317.393 -0.018 30 20 DBED CC#CCN[C@H]1C[C@H](NC(=O)Cn2c(O)nnc2O)C12CCC2 1203662282 ZKTRNOUIZSFJJL-QWRGUYRKSA-N 319.365 -0.270 30 20 DBED C=C(Br)CN1C[C@@H](NC(=O)CNC(N)=O)[C@H](C)C1 1205929310 KMTIPEVHLYAFGS-VXNVDRBHSA-N 319.203 0.000 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)CNC(=O)c1ccccn1 1213905903 SDBNDILYHYHDEK-CHWSQXEVSA-N 317.349 -0.850 30 20 DBED C=CCOCCN[C@@H]1CN(C(=O)[C@@H]2CN(C)CCO2)C[C@H]1C 1214387141 UMVUZSYIHMFKCJ-KFWWJZLASA-N 311.426 -0.044 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)COC2CCCC2)C1 1219266158 UTGWXVMKOSPETQ-CABCVRRESA-N 310.394 -0.243 30 20 DBED Cc1nn[nH]c1C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCC#N 1227879303 ZXBGMSCNBXIEFW-GHMZBOCLSA-N 319.369 -0.617 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)NC[C@H]1CC(=O)N(CC)C1 1261542710 SJPGGWDASUDMQN-CYBMUJFWSA-N 303.362 -0.544 30 20 DBED CNC(=O)CN(C)C(=O)C(=O)Nc1cccc(OCC#N)c1 1318085069 BSWSFHULQYWOJS-UHFFFAOYSA-N 304.306 -0.268 30 20 DBED C=CCN1C(=O)C(=O)N(Cc2noc(CCC(=O)OC)n2)C1=O 1318367914 VQLHTQNHLDIFKM-UHFFFAOYSA-N 322.277 -0.348 30 20 DBED C=CCNC(=O)CNC(=O)CS[C@H]1CCS(=O)(=O)C1 1319985618 QJJFUQCBKHPPOE-VIFPVBQESA-N 306.409 -0.675 30 20 DBED C=CCNC(=O)CNC(=O)c1cn(Cc2noc(C)n2)nn1 1321357974 GVDLHVKWZNKMKZ-UHFFFAOYSA-N 305.298 -0.950 30 20 DBED CN1C(=O)CC[C@@H](NC(=O)C(=O)N2CCC(CC#N)CC2)C1=O 1326258911 FZWBMFJHXNJRGK-LLVKDONJSA-N 320.349 -0.598 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)NCCCCS(C)(=O)=O 1326704205 GMPNUNLLBRLCBW-JTQLQIEISA-N 306.384 -0.755 30 20 DBED C#CCOCCn1nnnc1N1CC(=O)N(CC(F)(F)F)C1 1334471772 RNJJPKKSPYBMHH-UHFFFAOYSA-N 318.259 -0.509 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2CCC[C@@H](C#N)C2)C1=O 1335543950 MYRJPMDQKPYXTN-QWHCGFSZSA-N 318.377 -0.006 30 20 DBED CC(C)(CC#N)CNC(=O)C(=O)N[C@H]1CC(=O)N(C2CC2)C1 1348705415 PFVJDVAXEOLMEZ-JTQLQIEISA-N 306.366 -0.078 30 20 DBED COC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1cc(C#N)[nH]c1C 1362039250 AFAJPSHYXOMJCZ-LLVKDONJSA-N 304.306 -0.302 30 20 DBED COC(=O)[C@@H](C)CN(C)C(=O)Cn1cc(C#N)c(O)nc1=O 1362042278 SKQBUESWINBCSX-QMMMGPOBSA-N 308.294 -0.912 30 20 DBED C[C@H]1[C@@H](O)CCN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1362567040 YZNIKKMAVVFKSK-ONGXEEELSA-N 323.374 -0.293 30 20 DBED C=C(Cl)CN1CC[C@](O)(CNC(=O)CCNC(N)=O)C1 1368287797 PUKCBSIHXKYJEW-LBPRGKRZSA-N 304.778 -0.650 30 20 DBED CNC(=O)NC(=O)[C@@H](C)NC[C@H](C)NC(=O)c1cc(C#N)c[nH]1 1374874551 SFRJFXKYWNHKPR-DTWKUNHWSA-N 320.353 -0.562 30 20 DBED C[C@@H](CN(C)C(=O)CN1CCC(=O)NC1=O)NC(=O)[C@H](C)C#N 1405173420 QWQAUROSPUOAEU-ZJUUUORDSA-N 323.353 -0.949 30 20 DBED Cc1cnn(C)c1C(=O)N(C)C[C@H](O)CNC(=O)[C@H](C)C#N 1413316305 NABMQZARJVBXIF-MWLCHTKSSA-N 307.354 -0.563 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNCC1(CS(C)(=O)=O)CC1 1420118896 YQOPKSVWVJBLSJ-QWRGUYRKSA-N 317.411 -0.962 30 20 DBED COCC(=O)N(C)CC(=O)N(C)C[C@H]1CCN1C(=O)[C@H](C)C#N 1426779568 YDIYDMCDNWVJAU-VXGBXAGGSA-N 324.381 -0.690 30 20 DBED Cc1cncc(CC(=O)NC[C@H](O)CNC(=O)[C@@H](C)C#N)c1 1431559136 FGGKIJMJGBXVNX-AAEUAGOBSA-N 304.350 -0.315 30 20 DBED COC(=O)NCC(=O)NC[C@@H]1CCN1C(=O)c1ccc(C#N)[nH]1 1432011218 CQFQZYYWQZBDDS-JTQLQIEISA-N 319.321 -0.427 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(CC1)CN([C@H](C)C(=O)NC(N)=O)C2 1438619814 QPBNPEHZTRGVCA-WDEREUQCSA-N 321.381 -0.346 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)c2ccc(=O)n(C)n2)C1 1447480166 HZGUOHWVCURPFF-OPRDCNLKSA-N 303.322 -0.683 30 20 DBED C[C@H](C#N)C(=O)NCC1CN(Cc2nnc3n2CCOC3)C1 1481617729 POMIPPFLLLIWSY-SNVBAGLBSA-N 304.354 -0.484 30 20 DBED C=C(Cl)CNC1(CNC(=O)CN2CCNC(=O)C2)CCC1 1484645601 RLBDOOBGSNLHDC-UHFFFAOYSA-N 314.817 -0.201 30 20 DBED CO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1NC(=O)C1(N(C)C)CCC1 1513386754 UFDOMRJUOANIIE-YNEHKIRRSA-N 322.409 -0.028 30 20 DBED C#CC[C@@H](NS(=O)(=O)c1ccc(-n2cnnn2)cc1)C(=O)O 1573304056 YFYXTICZRWWYMK-LLVKDONJSA-N 321.318 -0.583 30 20 DBED C#Cc1ccc(C(=O)N[C@@H](C)CCNC(=O)CNC(=O)O)cn1 1573311936 KLODUUWKRXVHGU-JTQLQIEISA-N 318.333 -0.045 30 20 DBED C[C@H](C#N)C(=O)NCCNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 1573583809 PDMSBOXOPAAEKU-SSDOTTSWSA-N 302.298 -0.800 30 20 DBED CO[C@H]1CN[C@@H](C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)C1 1574001899 NNPFPDPQAHZTKY-MWLCHTKSSA-N 320.353 -0.567 30 20 DBED CS(=O)(=O)c1ccc(N)c(C(=O)N2CCNC[C@H]2C#N)c1 1579350002 IVARZTULROQNNH-SECBINFHSA-N 308.363 -0.390 30 20 DBED C#CC[C@H](NC(=O)[C@@](C)(O)Cn1c(C)cccc1=O)C(=O)O 1588399818 XLDWWCAHKHIMFD-NHYWBVRUSA-N 306.318 -0.500 30 20 DBED C#CCN1CCC(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O)CC1 1588471746 ZCOIYIMMNYNDQV-QWRGUYRKSA-N 309.366 -0.574 30 20 DBED C=CCCN[C@H](CO)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 1588609461 OPAZPNLSIOFJQT-JTQLQIEISA-N 305.342 -0.549 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCC(O)(C(=O)O)CC1 1596231162 HTJFMFDVOJCLHM-SNVBAGLBSA-N 319.383 -0.376 30 20 DBED Cn1c(NC[C@H](CC(=O)O)C2CC2)c(C#N)c(=O)n(C)c1=O 1600921895 NNDCCTBKVDQCNF-VIFPVBQESA-N 306.322 -0.132 30 20 DBED N#CC1(C(=O)O)CCN(C(=O)C(=O)N2CC3CC2(CN)C3)CC1 1601048805 JIVYUUYGSCWYMH-UHFFFAOYSA-N 320.349 -0.847 30 20 DBED C[C@@H]1CN(c2cnc(-c3nn[nH]n3)c(C#N)n2)CC[S@@](=O)C1 1603940873 KKUQNMRLRWFNET-CWMRNNLJSA-N 318.366 -0.267 30 20 DBED COC(=O)CN(CC#N)C(=O)c1ccnc(-c2nn[nH]n2)c1 1609299380 NWCYGOKCBQNDDS-UHFFFAOYSA-N 301.266 -0.600 30 20 DBED N#Cc1c(-c2nn[nH]n2)ncn1CC1CCS(=O)(=O)CC1 1609496969 PHBQIJVVPUYPSC-UHFFFAOYSA-N 307.339 -0.240 30 20 DBED CN(CCc1cnccn1)S(=O)(=O)N1CCO[C@H](C#N)C1 1647178558 FTWWNUANCYOKCA-GFCCVEGCSA-N 311.367 -0.580 30 20 DBED Cc1cccnc1C(=O)N[C@H]1C[C@@H](NCC(=O)NCC#N)C1 1752722769 UPGREZVDQUMKFX-TXEJJXNPSA-N 301.350 -0.120 30 20 DBED C#CCNC(=O)[C@@H](C)N(CC)CCNC(=O)c1c(C)ncn1C 1753083432 FDOKZMHQNNLELO-CYBMUJFWSA-N 319.409 -0.082 30 20 DBED C#CCNC(=O)CN1CC[C@H](CNC(=O)[C@@H](CCC)OC)C1 1753131581 YFTRMQXIZMOWBG-ZIAGYGMSSA-N 309.410 -0.011 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@H](CCNC(=O)c2cn[nH]c2)C1 1753323411 VXFQHIASYACHOL-OLZOCXBDSA-N 317.393 -0.011 30 20 DBED C#CCCNC[C@H](O)CNC(=O)[C@@H]1CCc2nnc(C)n2C1 1753937544 PIERRNRPYCJWIQ-OLZOCXBDSA-N 305.382 -0.761 30 20 DBED C=C(C)CN1CC[C@@H]1CNC(=O)Cn1ccc(=O)n(C)c1=O 1754485543 XGRAWGATNFRIJW-GFCCVEGCSA-N 306.366 -0.686 30 20 DBED C=CCNC(=O)NC(=O)CNC1(CNC(=O)[C@H](F)CC)CC1 1754528161 OAUMMGJFYWABTH-SNVBAGLBSA-N 314.361 -0.015 30 20 DBED C#CCNC(=O)[C@H](C)N1CC(N(C)C(=O)Cc2cccnc2)C1 1754573254 HJRZQYIAPBZPOB-ZDUSSCGKSA-N 314.389 -0.095 30 20 DBED CC#CCN1CC[C@](O)(CNC(=O)[C@@H]2CC(=O)N(CC)C2)C1 1754754194 LXXDAJVJZAQBSM-CJNGLKHVSA-N 307.394 -0.569 30 20 DBED C#CCCNCCN(CCO)C(=O)c1cccn2c(O)nnc12 1754896835 RVDVZPYNZKTBNV-UHFFFAOYSA-N 317.349 -0.518 30 20 DBED C#CCN1CC(CCO)(NC(=O)COCc2nnc(C)s2)C1 1755333812 JZSQJFZIFKTOSK-UHFFFAOYSA-N 324.406 -0.451 30 20 DBED CSC[C@H](C)C(=O)NC[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@H]12 1755421306 SGIGAGIXZJLVDG-ZDEQEGDKSA-N 324.450 -0.081 30 20 DBED Cc1ccc(C(=O)NC[C@H](CO)NCC(=O)NCC#N)c(C)c1 1755646545 SGAKJBXCSJXXTH-CYBMUJFWSA-N 318.377 -0.376 30 20 DBED Cn1cnnc1COCC(=O)N[C@H]1CC[C@H](CNCC#N)C1 1755747973 YMELVIOYRSUYJB-RYUDHWBXSA-N 306.370 -0.270 30 20 DBED CC(C)C#CC(=O)N(C)C[C@@H](O)CN(C)CC(=O)NCC#N 1755800740 MNINFPIYORSOHO-ZDUSSCGKSA-N 308.382 -0.963 30 20 DBED C#CCO[C@H](C)C(=O)N(C)[C@H](C)CNC(=O)Cn1ccnc1 1756041848 KOBSRZFLPRLADP-CHWSQXEVSA-N 306.366 -0.116 30 20 DBED C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)C[C@H]1NC(=O)CSCC#N 1757055818 XMBRSTJDNQSNNB-OUAUKWLOSA-N 324.406 -0.515 30 20 DBED C#CCOCCC(=O)NC[C@H]1C[C@@H](NC(=O)C(C)(C)C(N)=O)C1 1757318436 APZYDYOHBKGUBE-TXEJJXNPSA-N 323.393 -0.451 30 20 DBED N#Cc1ncn(CC(=O)N2CCC[C@@H](C(=O)NC3CC3)C2)n1 1771626207 HPJSNRRWQGAEOT-SNVBAGLBSA-N 302.338 -0.333 30 20 DBED COc1cc(C(=O)N[C@@H]2CNC[C@H]2C#N)ccc1OCC(N)=O 1771746110 FNTBTXIHJJUXSV-GHMZBOCLSA-N 318.333 -0.599 30 20 DBED C=CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CNC(=O)C1 1800529575 SXVMRRQCOOWPBW-MCYUEQNJSA-N 321.377 -0.712 30 20 DBED C[C@@H](S)C(=O)N1CC2(CCCN2C(=O)Cn2cnnn2)C1 1843085270 WOJQYMHUDYSUEX-SECBINFHSA-N 310.383 -0.805 30 20 DBED C[C@@H](C(=O)N1CC2(CCCN2C(=O)[C@@H](C)S)C1)n1cnnn1 1846371579 BEIXVAZSESOWFZ-VHSXEESVSA-N 324.410 -0.244 30 20 DBED CCN(CCC#N)C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 53396479 PMJSHIAJXGIJKE-UHFFFAOYSA-N 318.337 -0.804 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC(N(CC)S(C)(=O)=O)CC1 109010414 SYIKREKWUUJVBK-GFCCVEGCSA-N 315.439 -0.130 30 20 DBED CN1C(=O)C(/C(N)=N/OCC2OCCO2)=C(N)C12CCCC2 279928640 VNRKVZWNBLHUID-UHFFFAOYSA-N 310.354 -0.354 30 20 DBED C=CCCCCCN(C)C(=O)C(=O)N1CCO[C@H](C(N)=O)C1 298649821 LFNKUTXEVBIALP-LBPRGKRZSA-N 311.382 -0.096 30 20 DBED CN1C(=O)[C@]2(CCN(/C(O)=N/C[C@H]3CCCN3C)C2)N=C1O 329236140 JGKWEOIFDSNABH-QMTHXVAHSA-N 309.370 -0.175 30 20 DBED C[C@H]1[C@@H](C)N(/C(O)=N/CCN2C(=O)CCC2=O)CC[S@@]1=O 329690266 WABKGPHONADYOY-ULQSSITMSA-N 315.395 -0.109 30 20 DBED CC(C)NS(=O)(=O)CC/N=C(/O)NCC(=O)N1CCCC1 330426685 FOMRBIZJNZLNDK-UHFFFAOYSA-N 320.415 -0.560 30 20 DBED C[C@H](CCN1CCN(C)CC1)NS(=O)(=O)N(C)CCC#N 331025461 WCIFDLMLKVLTRL-CYBMUJFWSA-N 317.459 -0.308 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1CCN(C2CC2)CC1 331533617 UQBNYARIBPTMSI-UHFFFAOYSA-N 316.427 -0.127 30 20 DBED CO[C@@H]1C[C@@H](NS(=O)(=O)N2CCO[C@@H](C#N)C2)C1(C)C 336931043 BKXAFBSWKGTIPG-HBNTYKKESA-N 303.384 -0.141 30 20 DBED CC[C@@]1(C)COCCN1S(=O)(=O)N1CCO[C@@H](C#N)C1 336943429 LITXJELNGGDOEO-RYUDHWBXSA-N 303.384 -0.044 30 20 DBED CC(C)OC(=O)[C@@H](C)N(C)S(=O)(=O)N1CCO[C@@H](C#N)C1 336948073 QBWYYIHUZACOHR-MNOVXSKESA-N 319.383 -0.273 30 20 DBED CC(C)(C)NC(=O)CCNS(=O)(=O)N1CCO[C@@H](C#N)C1 337092136 MBSRETWWSWTVLW-JTQLQIEISA-N 318.399 -0.650 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CC(=O)N(C2CC2)C1 337190047 RLMXSTGKUMAFGZ-JTQLQIEISA-N 300.384 -0.023 30 20 DBED COCCN(CC(=O)N(C)C)S(=O)(=O)N(C)[C@H](C)CC#N 337860333 MHFZVPQMROQGID-LLVKDONJSA-N 320.415 -0.498 30 20 DBED C[C@H](NC(=O)c1ccc(C#N)[nH]1)C(=O)N1CCS(=O)(=O)CC1 343250111 XKTVFXPKCPIUOA-VIFPVBQESA-N 324.362 -0.738 30 20 DBED N#Cc1ccc(S(=O)(=O)NCCn2cnc(C#N)n2)cc1 352640716 SDAVLMNJSLLBDS-UHFFFAOYSA-N 302.319 0.000 30 20 DBED COCCN(C)CCN1C[C@H](NC(=O)C2(C#N)CCC2)CC1=O 354141431 LXSFYRXBBMDNEB-CYBMUJFWSA-N 322.409 -0.024 30 20 DBED Cn1nc(NC(=O)C(=O)N2CCO[C@H](C#N)C2)cc1C1CC1 354186615 DYEHCZDKCORGME-SNVBAGLBSA-N 303.322 -0.013 30 20 DBED C=C[C@H](CO)NC(=O)N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1 359573258 UZGUMPHFISXIDF-GHMZBOCLSA-N 317.411 -0.211 30 20 DBED CNS(=O)(=O)c1ccc(C(=O)N2CCO[C@@H](C#N)C2)cn1 408299931 FNVGAUKHYWNHHM-JTQLQIEISA-N 310.335 -0.646 30 20 DBED C=CCOC[C@H](NC(=O)[C@H](C)N1CCOCC1)C(=O)OC 435947460 FEDWTPDVGLTWIG-RYUDHWBXSA-N 300.355 -0.433 30 20 DBED N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCOCCO 443123310 ZOPUXFPXKMNQNL-UHFFFAOYSA-N 315.307 -0.246 30 20 DBED C[C@H]1OCC[C@@]1(O)CNC(=O)CNC(=O)c1ccc(C#N)cc1 447736007 IQRWSBNJKYAEJF-BDJLRTHQSA-N 317.345 -0.056 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C)[C@@H](C)[C@H]2C)C1=O 540019459 YUDDOXBEKHQXEK-WDEREUQCSA-N 322.365 -0.486 30 20 DBED C[C@H]1CC[S@](=O)CCN1c1c(C#N)c(=O)n(C)c(=O)n1C 562421022 DHNCEDCALUGKSB-FPVGNUTFSA-N 310.379 -0.697 30 20 DBED COCCN1CC[C@H](NC(=O)C(=O)Nc2cccc(C#N)n2)C1 564948114 VDZLWIQVXRWHLO-LBPRGKRZSA-N 317.349 -0.271 30 20 DBED Cn1ccc2c(NC(=O)C(=O)NCC(=O)NCC#N)cccc21 579044546 OWAWLJHBMWQUQT-UHFFFAOYSA-N 313.317 -0.127 30 20 DBED CC(C)N(C[C@H](O)CO)C(=O)C(=O)Nc1cccc(C#N)n1 579590540 OGEWSJQYOXAFLG-NSHDSACASA-N 306.322 -0.518 30 20 DBED CS(=O)(=O)N1CCN(CCNc2cc(C#N)ccn2)CC1 587439233 INZNASCDDZGQMO-UHFFFAOYSA-N 309.395 -0.058 30 20 DBED CS(=O)(=O)c1ccccc1NC(=O)NCC(=O)NCC#N 588232456 IBKOYSXCCBBJEZ-UHFFFAOYSA-N 310.335 -0.149 30 20 DBED COC(=O)[C@H]1CNCCCN1S(=O)(=O)c1cncc(C#N)c1 592388359 IYEKEGJNXDDZMC-GFCCVEGCSA-N 324.362 -0.521 30 20 DBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCNC(=O)C[C@H]1C 644844511 ZRTZVTHVZIXQPX-DYEKYZERSA-N 323.393 -0.179 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)C[C@@H]2CCC(=O)N2C)CC1 665757738 VARVDUCUIWGCFU-ZDUSSCGKSA-N 322.409 -0.556 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C)C[C@H]2CCOC2)C1=O 675358402 UIKAPXFTVODLLD-WDEREUQCSA-N 323.349 -0.106 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCN(CC(=O)NCC)CC1 730096698 LYYLUPIWVRLGQC-AWEZNQCLSA-N 306.410 -0.636 30 20 DBED C#CCNC(=O)Cn1nc(C)c(S(=O)(=O)N(C)CC)c1C 747823470 CNEYLKHZJYUBIG-UHFFFAOYSA-N 312.395 -0.110 30 20 DBED C#CCN1CCN(C(=O)CN2CCNC(=O)[C@@H]2C(C)C)CC1 748812095 DZNRXXDDYOCPQZ-HNNXBMFYSA-N 306.410 -0.780 30 20 DBED C#CCOC(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 762945649 UQRXXKMPQGVVGY-VIFPVBQESA-N 310.331 -0.371 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)c1nn(C)cc1[N+](=O)[O-] 772059761 WTIYHCTVBHRDQR-UHFFFAOYSA-N 311.254 -0.503 30 20 DBED C#CCNC(=O)CN[C@H](C)c1cccc(S(=O)(=O)NC)c1 775336882 XSYRBKVXIZYDSH-LLVKDONJSA-N 309.391 -0.005 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)c1c(C)nn(C)c1C 783547046 VENLVNJSXFIGCN-UHFFFAOYSA-N 313.379 -0.063 30 20 DBED C#CCOCCNC(=O)C(=O)Nc1cccnc1-n1cccn1 785157417 NBGXAXGCYCMAPF-UHFFFAOYSA-N 313.317 -0.028 30 20 DBED C#CCOCCNC(=O)C(=O)Nc1cc(C(N)=O)ccc1F 785172724 GUFHOYGISGDDNL-UHFFFAOYSA-N 307.281 -0.371 30 20 DBED N#Cc1ccc(C(=O)OCC(=O)N2CCCC[C@@H]2C(N)=O)[nH]1 786086130 BQKGYNDCUBPQHL-LLVKDONJSA-N 304.306 -0.090 30 20 DBED C#C[C@H](NC(=O)C(=O)NCCCn1ccnc1C)[C@@H]1CCCO1 787657607 YATHNOAARSGZMW-KBPBESRZSA-N 318.377 -0.005 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)C[C@H]2CCCOC2)CC1 793412876 DGPBSGAKGLIRML-CQSZACIVSA-N 307.394 -0.303 30 20 DBED C[C@@H]1CN(CCNC(=O)NCCn2cnc(C#N)n2)CCO1 806666558 NZNHUPPASSDRPL-LLVKDONJSA-N 307.358 -0.830 30 20 DBED Cn1nnc(CON=C(N)c2ccc(S(C)(=O)=O)cc2)n1 809994785 GLMJUCONLITZNE-UHFFFAOYSA-N 310.339 -0.549 30 20 DBED N#Cc1ccc(N2CCN(C(=O)[C@]3(O)CCOC3)CC2)cn1 832036489 QMPCCKGTGFSUFH-HNNXBMFYSA-N 302.334 -0.247 30 20 DBED C#CC[C@@H](NS(=O)(=O)N(CCC#N)CCOC)C(=O)OC 841542184 XOGPTMAHAATVFI-LLVKDONJSA-N 317.367 -0.752 30 20 DBED C#CC[C@@H](CCOC)NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 863786941 KPKLRSOICWZDDF-KGLIPLIRSA-N 309.410 -0.059 30 20 DBED C#CC1(O)CN(C(=O)NC2CCN(c3cccnn3)CC2)C1 894438107 BBOQBUBKOAPUBU-UHFFFAOYSA-N 301.350 -0.165 30 20 DBED C=CCN(C(=O)c1cccn2nnnc12)[C@@H]1CCS(=O)(=O)C1 897223779 XNXYDAQLELUNLW-SNVBAGLBSA-N 321.362 -0.060 30 20 DBED CNC(=O)[C@H](C#N)C(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O 917005265 QDJVLUPVWDZVOU-IQMDTDKHSA-N 320.349 -0.058 30 20 DBED C[C@H](C#N)C(=O)N1CCC2(CC1)CN(C(=O)[C@H]1C[C@H]1C(N)=O)C2 945035119 JNJXCKAEZCIVPK-UTUOFQBUSA-N 318.377 -0.282 30 20 DBED C=CCN1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)[C@H](C)C1 945089325 FZTSXLLLFHAPMW-MNOVXSKESA-N 306.370 -0.610 30 20 DBED CO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)c1ccnnc1 946940472 QXGAOPVXAKYKFL-ZIAGYGMSSA-N 314.345 -0.154 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H](NC(=O)CN2CCCC2=O)C1 951865718 XUZVKKJQEXLHRZ-NEPJUHHUSA-N 306.366 -0.124 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2ncc[nH]2)C1 954630855 MMCYDVVXVPLRFQ-ZDUSSCGKSA-N 315.377 -0.210 30 20 DBED C=CCN1CC[C@H](N2CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)C1=O 957388674 QMQYEEAPCMYXPN-STQMWFEESA-N 320.393 -0.804 30 20 DBED C=CCN1C[C@H](CNC(=O)c2ccoc2CC(N)=O)[C@@H](O)C1 958350968 WMUDKHWDJIAFMT-JQWIXIFHSA-N 307.350 -0.484 30 20 DBED CN(C)c1cc(C(=O)NC[C@H]2CN(CC#N)C[C@@H]2O)ccn1 958453025 JXEBDOFCKHXPEW-STQMWFEESA-N 303.366 -0.306 30 20 DBED Cn1nnc(CN2C[C@@H]3C(NC(=O)c4cc(C#N)c[nH]4)[C@H]3C2)n1 958500133 MKZPTBDGUDGXSE-UWVGGRQHSA-N 312.337 -0.730 30 20 DBED Cn1ncc2cc(C(=O)NC[C@H]3CN(CC#N)C[C@H]3O)cnc21 958525446 IBHNOXYZKWVUDN-QWHCGFSZSA-N 314.349 -0.486 30 20 DBED CC#CCN1C[C@H](CNC(=O)c2ccc(C(N)=O)nc2)[C@@H](O)C1 958748428 MOHQAXLJGXNSAA-JSGCOSHPSA-N 316.361 -0.774 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1ncn(C)n1 960334723 MWLKHBKPFGYWNI-OUAUKWLOSA-N 318.337 -0.973 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H]2CN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C[C@@H]21 960880348 VGTCUAPPDFIUJZ-WCQYUDONSA-N 319.361 -0.523 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H]2CN(C(=O)CC(C)(C)O)C[C@@H]21 960881769 LBLLTWJKESQYEB-SDDRHHMPSA-N 309.366 -0.255 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCOC3)C[C@@H]2O)c[nH]1 962387416 DIMDCRXIILZKPG-BIMULSAOSA-N 318.333 -0.776 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)c1cccc(O)n1 964123901 CENIOYLCKWSVFT-WDEREUQCSA-N 318.333 -0.096 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CN(C(=O)c3cncn3C)CCO2)C1 965420294 KSHHCRVTDYGJMJ-NSHDSACASA-N 317.349 -0.367 30 20 DBED C[C@H](C#N)C(=O)N1CCOC2(CN(C(=O)c3cc[nH]n3)C2)C1 965468422 FCXCETWXIUSYQE-SNVBAGLBSA-N 303.322 -0.377 30 20 DBED C[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1NC(=O)c1nc[nH]n1 966291543 UIPRAAIQTMVTAK-GZMMTYOYSA-N 313.321 -0.105 30 20 DBED C#CCN1CCCCC[C@H]1CNC(=O)c1nnc(O)nc1O 968936677 NORVQKCWDYOZTN-JTQLQIEISA-N 305.338 -0.110 30 20 DBED O=C(Cc1nc[nH]n1)N1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC1CC1 968993493 RUBJBPKLWFVTPW-BETUJISGSA-N 313.361 -0.038 30 20 DBED C[C@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1O 969761092 WZBUKJUWKIYJFK-ZDAZMGEQSA-N 302.334 -0.156 30 20 DBED C#CCN1CC([C@@H](C)NC(=O)[C@@H]2CC(=O)N(CCOC)C2)C1 969789781 RPULVTDJDUCJED-CHWSQXEVSA-N 307.394 -0.449 30 20 DBED CN(CC#N)[C@@H]1CCN(C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)C1 971963608 KBZZIOZPRPNXLS-UPJWGTAASA-N 308.382 -0.144 30 20 DBED C#CCN1C[C@H]2CC[C@H]1CN2C(=O)CN1CCC(=O)NC1=O 971992894 FKSPCDFUUCHIOM-NWDGAFQWSA-N 304.350 -0.763 30 20 DBED N#CCN1CCO[C@]2(CCN(C(=O)c3cc[n+]([O-])cc3)C2)C1 972244022 UPIFYSFQINHTJH-OAHLLOKOSA-N 302.334 -0.240 30 20 DBED C=CCN1CCO[C@@]2(CCN(C(=O)[C@@H]3COCCN3C)C2)C1 972348229 ITVANNXLKWEFHW-HOCLYGCPSA-N 309.410 -0.194 30 20 DBED C=CCN1CCO[C@@]2(CCN(C(=O)[C@H]3CCN(C)C3=O)C2)C1 972506919 ROFJPGFAASGEIH-BBRMVZONSA-N 307.394 -0.046 30 20 DBED C#CCN1CCCC2(C1)CN(C(=O)C[C@@H]1CC(=O)NC1=O)C2 982176888 UXDUPDJONHSMEN-LBPRGKRZSA-N 303.362 -0.403 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](CNC(=O)c2cnc(O)n2C)C1 983219773 DSZDXIJWZOETNW-ZJUUUORDSA-N 305.338 -0.136 30 20 DBED N#CCN1CC[C@@]2(NC(=O)C[C@@H]3NC(=O)NC3=O)CCC[C@@H]12 991099541 IAARAYPPRXIDSP-RBZYPMLTSA-N 305.338 -0.779 30 20 DBED C=CCn1cc(C(=O)NC2CN(C(=O)[C@H]3CCCN3C)C2)nn1 991673763 ORJYHKDGHSGPDG-CYBMUJFWSA-N 318.381 -0.501 30 20 DBED C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)c3cnn[nH]3)C[C@H]2O)C1 991758446 QZZNEPGPXGCUFL-CMPLNLGQSA-N 319.365 -0.147 30 20 DBED CC1(C)CN(C(=O)CN2CCC(=O)NC2=O)C[C@H]1NCC#N 996501292 YMTXSYFIPZJJDE-SNVBAGLBSA-N 307.354 -0.722 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@H]2CCCO2)C1 1000833309 PJCQMRSULOBIGI-LSDHHAIUSA-N 319.405 -0.162 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H]1CN(C)C(=O)c1c[nH]c(=O)cn1 1002918454 ALAWRZFRFMEFJC-GHMZBOCLSA-N 317.349 -0.007 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@H]1CN2C(=O)CC(N)=O 1007202048 YUCKITHZYUCABE-XQHKEYJVSA-N 321.377 -0.345 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2C[C@H](C)N(C(=O)COC)C2)nn1 1012181230 USQCPLCEWPZWQM-WDEREUQCSA-N 307.354 -0.170 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2C[C@H](C)N(C(=O)CC(N)=O)C2)cn1 1012407893 JZEJXVRLSNAUFB-GXFFZTMASA-N 314.345 -0.343 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCN(Cc2nnnn2C)C1 1014460807 NMSQZUBTTPPXOZ-XQQFMLRXSA-N 320.397 -0.118 30 20 DBED C#CCCN1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CCOCC1=O 1017621336 MNLYZHDGWCPRKE-OKILXGFUSA-N 305.378 -0.456 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@H](N[C@H]2CCCNC2=O)C1 1018986061 QEABYCGYEKVEIF-KKUMJFAQSA-N 318.421 -0.447 30 20 DBED N#CCN[C@H]1C[C@@H](NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 1022074094 KZDKSCZLGBWFCO-MXWKQRLJSA-N 302.338 -0.477 30 20 DBED C=C(Br)CN[C@H]1C[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1 1022631222 WUEMTRXTICJOCA-YIZRAAEISA-N 317.187 -0.187 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H](N[C@@H]2CCC(=O)NC2=O)C1 1022736921 JSBYDCCYUNSLAP-MLGHIDQZSA-N 321.377 -0.381 30 20 DBED N#Cc1c[nH]c(C(=O)N2C[C@@H](O)[C@H](NC(=O)C3CCC3)C2)c1 1022871027 WXIXZZWFSSXDQP-CHWSQXEVSA-N 302.334 -0.012 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCCO3)C[C@H]2O)c1 1023326843 BRYARZLFMWZCRR-UPJWGTAASA-N 318.333 -0.633 30 20 DBED CC(C)(F)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 1023455144 LVRHRFPNQKFEDL-GHMZBOCLSA-N 308.313 -0.064 30 20 DBED O=C(Cc1ccoc1)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1023496153 XEFMYNWLQKJCRB-ZIAGYGMSSA-N 302.330 -0.077 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CN(C(=O)C(F)F)C[C@H]2O)nn1 1023769389 POFYVJGPKNXYGN-VXNVDRBHSA-N 315.280 -0.969 30 20 DBED N#CCNC1CCC(NC(=O)Cn2ccc(O)nc2=O)CC1 1026523843 VDJNJPKPIWIFIA-UHFFFAOYSA-N 305.338 -0.511 30 20 DBED N#Cc1ccc(C(=O)NCC2CN(Cc3nc(O)n[nH]3)C2)[nH]1 1031621057 UGGNFVPEYNOQBQ-UHFFFAOYSA-N 301.310 -0.428 30 20 DBED CCN(C(=O)[C@@H]1CN(C(C)=O)CCO1)[C@H]1CCN(CC#N)C1 1034027949 AKOYPSNLGLVMQI-KBPBESRZSA-N 308.382 -0.320 30 20 DBED CC#CCN1CCO[C@@H](CNC(=O)c2ccn(C)c(=O)c2)C1 1035418097 AFXGILFFRZXQDD-AWEZNQCLSA-N 303.362 -0.161 30 20 DBED N#CCN1CCO[C@H](CNC(=O)[C@H]2CN3CC4CC3(CO2)C4)C1 1035445223 AYTZMGNXOBKWNE-MYMJJRTCSA-N 320.393 -0.810 30 20 DBED CC#CCN1CCO[C@@H](CNC(=O)[C@H]2CN(CC)CCO2)C1 1035606752 HFYZNEYFATZBQJ-LSDHHAIUSA-N 309.410 -0.453 30 20 DBED C=CCN[C@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C[C@H]1C 1036307406 CFMSLVIADNRHDF-MNOVXSKESA-N 306.370 -0.610 30 20 DBED C=C(C)CN[C@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C[C@H]1C 1036309951 HXHVSTVQANFSRB-NEPJUHHUSA-N 320.397 -0.220 30 20 DBED C=CCN1CC[C@H](NCC[C@@H]2CCCCN2C(=O)C(N)=O)C1=O 1036330663 SOXYEWOOGWXOSI-STQMWFEESA-N 322.409 -0.381 30 20 DBED C=C(Cl)CN1C[C@H]2C[C@H]1[C@H]2NC(=O)CN1CCOCC1=O 1037441770 JYNYAPQTFFVYIB-SUNKGSAMSA-N 313.785 -0.213 30 20 DBED N#Cc1ccc(F)cc1CN1C[C@H]2C[C@H]1[C@H]2NC(=O)C(N)=O 1037565550 XJIZJXXRIQTKQH-WXHSDQCUSA-N 302.309 -0.128 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@]1(O)CCN(C(=O)COC)C1 1039575679 DEKOGXLFGCYLSF-ZIAGYGMSSA-N 300.355 -0.961 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)CN2CCCC2)C1 1039764091 RCDUMWKTRNEVSY-WFASDCNBSA-N 308.382 -0.679 30 20 DBED CC#CCN1[C@H]2CCC[C@H]1CN(C(=O)[C@@H]1CC(=O)NC(=O)N1)C2 1039934902 NRUQUWSCHAOVSG-AVGNSLFASA-N 318.377 -0.327 30 20 DBED C#CCN1CC[C@]2(CCN(C(=O)[C@H]3COCCN3C(C)=O)C2)C1 1041839614 OWDALGZBQAOUFA-WBVHZDCISA-N 319.405 -0.209 30 20 DBED Cc1cc(C(=O)NCC2(O)CN(C(=O)C#CC(C)C)C2)cnn1 1042778223 CHYASWBNDDSWEX-UHFFFAOYSA-N 316.361 -0.252 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(O)(CNC(=O)Cc2ccc[nH]2)C1 1043290432 DOYQEJUPEVNYBY-HNNXBMFYSA-N 321.377 -0.426 30 20 DBED C=CCCOCC(=O)NCC1(O)CN(C(=O)c2nocc2C)C1 1043567174 ADIHRSPTKKMQRC-UHFFFAOYSA-N 323.349 -0.121 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)Cc3ccon3)C2)nc1 1043884377 SCYOZRQVOBKGJI-OLZOCXBDSA-N 313.317 -0.150 30 20 DBED C=CCN[C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)[C@H](C)C1 1044608477 QWEOVVOGWRTDHL-GHMZBOCLSA-N 306.370 -0.468 30 20 DBED N#CCN1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CNC(=O)N2)C1 1046968415 GFPBXKBRWSPEKN-DTWKUNHWSA-N 301.297 -0.735 30 20 DBED C=C(C)CCN1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CC(=O)NC2=O)C1 1047650088 PYEHOMHNNJISBI-AVGNSLFASA-N 323.393 -0.491 30 20 DBED C=CCCC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CC(=O)N(C)C2)C[C@@H]1O 1048539080 BADMHZUVJBYIBV-AGIUHOORSA-N 323.393 -0.539 30 20 DBED CO[C@H](C)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C#CC2CC2)C1 1048821348 KUAIJASUWJBLRM-XBFCOCLRSA-N 308.378 -0.145 30 20 DBED C#CCOCCC(=O)N(C)[C@H]1CN(C(=O)c2cnco2)C[C@@H]1O 1048847977 QRZHICDDGWCTOS-RYUDHWBXSA-N 321.333 -0.642 30 20 DBED C=CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC(=O)N2)C1 1049139527 CECVJGQRUXDVHP-AVGNSLFASA-N 323.393 -0.349 30 20 DBED C#CCCN1CC[C@@H]2[C@@H]1CCCN2C(=O)CN1CCNC(=O)C1 1049639320 OSWORMODDITZRE-LSDHHAIUSA-N 318.421 -0.493 30 20 DBED C[C@@H]1[C@@H](NC(=O)c2cnn(C)n2)CCN1c1ccc(C#N)nn1 1050426413 HXSYRJRIXMICDL-KOLCDFICSA-N 312.337 -0.126 30 20 DBED N#CCN1CCC2(CC1)CN(C(=O)CCN1C(=O)CCC1=O)C2 1050584735 SLQPHKLZSYTQGY-UHFFFAOYSA-N 318.377 -0.027 30 20 DBED Cc1nc(CNC[C@H]2CN(C(=O)C#CC3CC3)CCO2)n[nH]1 1051609481 UFPKXXPJLCFAQS-ZDUSSCGKSA-N 303.366 -0.156 30 20 DBED C#CCCCC(=O)N1C[C@H](CNC(=O)Cn2ncnn2)[C@@H](C)C1 1052477209 FWKPNGKXPPJOIM-STQMWFEESA-N 318.381 -0.313 30 20 DBED CN1CCO[C@H](C(=O)N2CCN(c3nccnc3C#N)CC2)C1 1055750742 FJTCGLHAKDHYHM-ZDUSSCGKSA-N 316.365 -0.673 30 20 DBED CCn1ncc(C(=O)N2CCN(c3cncc(C#N)n3)CC2)n1 1055797416 QYTOQEADKIQKGU-UHFFFAOYSA-N 312.337 -0.078 30 20 DBED Cc1cc(C#N)nc(N2C[C@H]3[C@H](NC(=O)c4cnn(C)n4)[C@H]3C2)n1 1056254587 DHUSYBBFUJVOMU-PJXYFTJBSA-N 324.348 -0.350 30 20 DBED Cn1cncc1CC(=O)N[C@H]1[C@@H]2CN(c3cnc(C#N)cn3)C[C@@H]21 1056254877 SWUYXWRZTRCOHV-VIKVFOODSA-N 323.360 -0.125 30 20 DBED Cc1cc(C#N)nc(N2C[C@H]3C(NC(=O)c4[nH]nnc4C)[C@@H]3C2)n1 1056362619 QBXDCPGRPQQUST-GHMZBOCLSA-N 324.348 -0.052 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)c1cccc(O)n1 1057279041 VUFGIVXRLJRVKJ-UHFFFAOYSA-N 319.361 -0.003 30 20 DBED CC(C)OCC(=O)NCCN(CCO)C(=O)c1cc(C#N)c[nH]1 1057291915 UXVKPSAYGLWXFD-UHFFFAOYSA-N 322.365 -0.138 30 20 DBED O=C(C#CC1CC1)NCCN(CCO)C(=O)c1ccnc(O)c1 1057330229 CKCXNWIHECSEQS-UHFFFAOYSA-N 317.345 -0.249 30 20 DBED O=C(NCCN(CCO)C(=O)C#CC1CC1)[C@@H]1C[C@H]2CC[C@@H]1O2 1057535480 ANKGGNITTZFTFC-KFWWJZLASA-N 320.389 -0.096 30 20 DBED C=CCO[C@H](C)C(=O)NCCN(CCO)C(=O)c1ccn(C)n1 1057639880 TVXPKRTVSLLJDU-GFCCVEGCSA-N 324.381 -0.438 30 20 DBED N#Cc1cncc(N2CCC[C@H](NC(=O)Cc3nc[nH]n3)C2)n1 1058193622 BMCDNFZHCGVVLC-JTQLQIEISA-N 312.337 -0.206 30 20 DBED N#Cc1cnc(N2CCC[C@H](NC(=O)[C@H]3CNC(=O)N3)C2)cn1 1058231247 CIDACPWMFGRNJN-GXSJLCMTSA-N 315.337 -0.885 30 20 DBED CN1C(=O)CC[C@H]1C(=O)N[C@@H]1CCN(c2ccc(C#N)nn2)C1 1058516227 HGRFFZYTYJBVOW-NEPJUHHUSA-N 314.349 -0.336 30 20 DBED C=CCCC(=O)N1CC[C@@H](CCNC(=O)[C@@H]2CNC(=O)N2)C1 1059315398 GZXDKZVCCYUFFB-NEPJUHHUSA-N 308.382 -0.011 30 20 DBED N#Cc1ccc(N[C@H]2C[C@@H](NC(=O)[C@@H]3CC[C@@H]3C(N)=O)C2)nn1 1059784331 NRPBXUBMGMWYGJ-WHOHXGKFSA-N 314.349 -0.081 30 20 DBED C=CCOCCCC(=O)NCC[C@H]1CCN(C(=O)C(N)=O)C1 1060271612 RIRWBUJRGSVRIT-LBPRGKRZSA-N 311.382 -0.191 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](CCNC(=O)c2cnn(C)n2)C1 1060289856 TVJGOYCPFXFSQA-MNOVXSKESA-N 304.354 -0.057 30 20 DBED N#Cc1cnc(N2CC[C@@H](CNC(=O)[C@@H]3CCC(=O)N3)C2)cn1 1061627678 WSVGGJOODHBZRG-JQWIXIFHSA-N 314.349 -0.431 30 20 DBED C=CCOCC(=O)N1CCCC[C@@H]1CNC(=O)CC(=O)NC 1062068383 XZFCOZXEFLQPBX-GFCCVEGCSA-N 311.382 -0.178 30 20 DBED CNC(=O)CC(=O)NCC1(NC(=O)c2ccc(C#N)[nH]2)CCC1 1062843238 XIBDPUCOBCMFEG-UHFFFAOYSA-N 317.349 -0.209 30 20 DBED CN(C(=O)[C@H]1COC(=O)N1)[C@H]1CCN(c2cnc(C#N)cn2)C1 1062928598 LWCGBSJADXZQOH-WDEREUQCSA-N 316.321 -0.506 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)C(=O)NCC(F)F)CCC1 1064309180 STVVULDVVOYVRS-QMMMGPOBSA-N 316.308 -0.318 30 20 DBED C#CCOCCC(=O)N1CCO[C@@H](CNC(=O)[C@@H](C)OC)C1 1065150020 JUPFKENESLYOKE-OLZOCXBDSA-N 312.366 -0.595 30 20 DBED C=C[C@@](C)(CC)C(=O)N1CC2(CC[C@@H](CNC(=O)C(N)=O)O2)C1 1068620770 RGPUHXFAXKMYLC-NHYWBVRUSA-N 323.393 -0.050 30 20 DBED COCCC(=O)N[C@H]1COC2(C1)CN(C(=O)C#CC1CC1)C2 1068646229 HEGIAPQOHGWRCY-CYBMUJFWSA-N 306.362 -0.078 30 20 DBED CC(C)N(C)CC(=O)N[C@@H]1COC2(C1)CN(C(=O)[C@H](C)C#N)C2 1068899041 FAWJSWIMNUJWNU-OLZOCXBDSA-N 322.409 -0.028 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)C[C@@H]2CCOC2)C1 1069904633 JTCGACRNNXTDJG-MJBXVCDLSA-N 303.366 -0.321 30 20 DBED N#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)Cc2ccoc2)C1 1069914021 NUBNWFUQXLJJDW-OLZOCXBDSA-N 300.322 -0.021 30 20 DBED N#CCN[C@@H]1CN(C(=O)[C@H]2CCCCO2)C[C@@H]1n1ccnn1 1070177563 BEPALNQPEYPUHP-FRRDWIJNSA-N 304.354 -0.288 30 20 DBED CC#CCN1C[C@H]2C[C@H]3CN(C(=O)C(C)(C)C(N)=O)C[C@@]3(C1)O2 1070812881 BFNKPQSEQJEUNK-OGHNNQOOSA-N 319.405 -0.177 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2C)C1 1071101122 GDRXOKNHUPYTBR-XQQFMLRXSA-N 305.378 -0.111 30 20 DBED CC(=O)NCC(=O)N[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1C 1071926170 TVYNCIBFELFBCA-ZANVPECISA-N 317.349 -0.401 30 20 DBED C[C@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@H]1NC(=O)C#CC1CC1 1072616396 IYLLTXJDOLTLHZ-GXFFZTMASA-N 314.345 -0.240 30 20 DBED C[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@@H]1NC(=O)C#CC1CC1 1072635002 CNZWPBPAISLFMR-PWSUYJOCSA-N 303.362 -0.372 30 20 DBED C=CCN1CCO[C@@H]2CCN(C(=O)CN3CC(=O)NC3=O)C[C@@H]21 1074360950 UMXNVYHHLMURGT-NWDGAFQWSA-N 322.365 -0.974 30 20 DBED C#CCCCC(=O)N[C@@H]1CCN(C(=O)Cn2ncnn2)[C@H](C)C1 1074962727 CETZDFRZPIQRRO-CHWSQXEVSA-N 318.381 -0.028 30 20 DBED COC[C@@H](OC)C(=O)N[C@@H](C)CCNC(=O)CSCC#N 1075678249 SCZUKTWVYRDMJX-WDEREUQCSA-N 317.411 -0.084 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2cnn(CC(F)(F)F)c2)C1 1077140918 LUEWHLRVPQHQDA-GHMZBOCLSA-N 316.283 -0.147 30 20 DBED CN(C)C(=O)c1ccccc1C(=O)N[C@@H]1CN(CC#N)C[C@H]1O 1078021568 FMJAOUIFGGMFGV-ZIAGYGMSSA-N 316.361 -0.313 30 20 DBED N#Cc1c[nH]c(C(=O)N2C[C@H]3CC[C@H]2[C@H](NCC(N)=O)C3)c1 1078910708 RNONJFDTKXEHED-NDMJEZRESA-N 301.350 -0.046 30 20 DBED C=CCOCC(=O)N(CC)C1CN(C(=O)[C@@H]2CCN(C)C2=O)C1 1079493729 DWUFFXXUWJAALS-CYBMUJFWSA-N 323.393 -0.273 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(N(CC)C(=O)c2cnnn2C)C1 1079701695 LVUZOQWXVNYHAD-LLVKDONJSA-N 319.365 -0.474 30 20 DBED C#CCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)[C@@H](C)NC(C)=O)C1 1079770869 OAOKCWAZOZZNHK-NEPJUHHUSA-N 323.393 -0.391 30 20 DBED COCC(=O)N1CCC(CO)(NC(=O)c2c[nH]c(C#N)c2)CC1 1080824160 AATZQJFILYHYMP-UHFFFAOYSA-N 320.349 -0.384 30 20 DBED C=CCCOCC(=O)NC[C@H]1CN(C(=O)CCOC)C[C@H]1O 1081569147 KXWSDOAUVNRLFX-QWHCGFSZSA-N 314.382 -0.449 30 20 DBED C#CCCN1C[C@@H](NC(=O)C[C@H]2CCC(=O)N2C)[C@H](OC)C1 1082017443 ILZKVWXZLPRBCS-MGPQQGTHSA-N 307.394 -0.164 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)COc1cnn(C)c1 1083176697 JNLSUDGQHDNFLO-UONOGXRCSA-N 304.350 -0.656 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)C(C)(C)c2cnn(C)c2)C1 1083903517 IMRJMRNIUDGLSL-KGLIPLIRSA-N 304.394 -0.118 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2ccccc2-n2cnnn2)C1 1084047006 VQCKHSBXSJVZCC-OCCSQVGLSA-N 312.333 -0.930 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)Cc2c(C)nc(C)nc2O)C1 1084051482 NUYVFAQVOBXVET-KGLIPLIRSA-N 318.377 -0.474 30 20 DBED C#CCN1CCC(C(=O)N(C)C[C@@H]2CCN2CC(=O)NC)CC1 1085986623 IYFKJGACPDRFPS-HNNXBMFYSA-N 320.437 -0.390 30 20 DBED Cn1cnn(CCC(=O)N2C[C@H]3CCN(CC#N)C[C@H]3C2)c1=O 1088052473 SPCLNPZLHXPLOI-OLZOCXBDSA-N 318.381 -0.724 30 20 DBED N#CCN[C@H]1CCCCCN(C(=O)CN2CCNC(=O)C2)C1 1088358440 BXVQRSWHJBSRQG-ZDUSSCGKSA-N 307.398 -0.697 30 20 DBED CCN(c1ccnc(C#N)n1)[C@H](C)CNC(=O)CCNC(N)=O 1089651038 ZCMOHZJGVLKVKM-SNVBAGLBSA-N 319.369 -0.262 30 20 DBED Cn1nc(C2CC2)cc1C(=O)N[C@H]1CCN(CC#N)C[C@@H]1O 1090294017 WNNMFISVGZRFSL-FZMZJTMJSA-N 303.366 -0.014 30 20 DBED CN(C)CCCC(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@H]1O 1090522820 SAJOOXDMRMKRSQ-UKRRQHHQSA-N 317.393 -0.039 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2cn(CCC)nn2)[C@H](O)C1 1090685401 IIBWODLCLSMLFT-TZMCWYRMSA-N 305.382 -0.124 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2ccc(NC(N)=O)cc2)[C@H](O)C1 1090783713 NETXRLJTTREGFP-ZIAGYGMSSA-N 316.361 -0.025 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2cccc(NC(N)=O)c2)[C@H](O)C1 1090799972 YFUUUEYYMKQRSA-ZIAGYGMSSA-N 316.361 -0.025 30 20 DBED CN(C)c1ncccc1C(=O)N[C@@H]1CCN(CC#N)C[C@H]1O 1090804158 GDARFJHOJHNQOG-CHWSQXEVSA-N 303.366 -0.164 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(c2cnc(F)cn2)C[C@@H]1O 1091152632 FCXDCMWTPFKQNN-AXFHLTTASA-N 308.313 -0.680 30 20 DBED CNC(=O)CC(=O)NC[C@H]1C[C@H](N=c2cc[nH]c(C#N)n2)C1 1091448829 NARSVGBEKMUXNQ-MGCOHNPYSA-N 302.338 -0.787 30 20 DBED C=CCN1CC[C@H](NCc2cn(C3CN(C(C)=O)C3)nn2)C1=O 1093295343 WSDIQNHLJOAVMD-AWEZNQCLSA-N 318.381 -0.442 30 20 DBED CC#CCN1CC(n2cc(CNC(=O)c3cnccn3)nn2)C1 1094270578 CDOPZLRGQBMCQL-UHFFFAOYSA-N 311.349 -0.122 30 20 DBED Cc1[nH]ccc1C(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1 1094723184 FWLBADYVQZWDGN-LLVKDONJSA-N 301.350 -0.138 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)c3ccnnc3C)CC2=O)C1 1094753522 MPFWGKKECIRPGM-LBPRGKRZSA-N 315.377 -0.014 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)C3(C)CCOCC3)CC2=O)C1 1094795291 MIFXKOZEBKXUJT-ZDUSSCGKSA-N 319.405 -0.162 30 20 DBED CC#CCN1CC(N2C[C@@H](NC(=O)[C@@]3(C)CCOC3)CC2=O)C1 1094801352 KXWKFBFLBAOQFQ-GUYCJALGSA-N 319.405 -0.162 30 20 DBED CN(c1nccnc1C#N)[C@@H]1CCN(C(=O)CNC(N)=O)C1 1095091316 IOALMERBIZIEDI-SECBINFHSA-N 303.326 -0.946 30 20 DBED CC(C)(C(N)=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)nn2)C1 1096212584 ZYXIEPGKXKBQQO-LLVKDONJSA-N 316.365 -0.055 30 20 DBED C=CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cc(=O)n2[nH]cnc2n1 1096337496 AFSGJZSWFSCVFX-SCVCMEIPSA-N 314.349 -0.061 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H](C)Nc1cnc(C#N)cn1 1097768693 QFMLCSSPAZIHHN-SNVBAGLBSA-N 300.322 -0.596 30 20 DBED C[C@H](CNC(=O)C[C@H]1CCC(=O)N1)Nc1ccc(C#N)nn1 1097950729 VBUAZQQTIKNYLO-NXEZZACHSA-N 302.338 -0.066 30 20 DBED N#CCN(CCO)C1CCN(C(=O)c2coc(C(N)=O)c2)CC1 1098441042 ZHLOUVZYHDLSND-UHFFFAOYSA-N 320.349 -0.199 30 20 DBED C#CCN(CCO)C1CCN(C(=O)CCc2cn(C)nn2)CC1 1098583742 BUSKJEQUEFFXOA-UHFFFAOYSA-N 319.409 -0.334 30 20 DBED C=CCNCc1cn([C@H]2CCN(C(=O)c3cn(C)nn3)C2)nn1 1098666698 DYGRRWXNDUUOAS-LBPRGKRZSA-N 316.369 -0.231 30 20 DBED C[C@H](CCNC(=O)[C@H]1COC(=O)N1)Nc1nccnc1C#N 1099076624 DGEUHXIFAWEVJC-PSASIEDQSA-N 304.310 -0.237 30 20 DBED C[C@H](CCNC(=O)CN1CCOCC1)Nc1cnc(C#N)cn1 1099091273 JSRAAJFQVRAFPV-GFCCVEGCSA-N 318.381 -0.013 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CN(CC(N)=O)CC2(CCOCC2)C1 1099574427 FLJWNYIJIZRJAQ-RYUDHWBXSA-N 308.382 -0.381 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)c2ccoc2)[C@H](O)C1 1099659649 IQUPMNIXNHAJEO-QWHCGFSZSA-N 305.334 -0.806 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)c2cc[nH]c2C)[C@@H](O)C1 1099761009 QBESDZUATUNNAB-KBPBESRZSA-N 320.393 -0.210 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CCN(CC(=O)N2CCC2)C[C@@H]1O 1099821299 SQQZYJSLTWLHGW-KGLIPLIRSA-N 307.394 -0.571 30 20 DBED C=CCCN1CC[C@H](NC(=O)CNS(=O)(=O)CC)[C@@H](O)C1 1099860618 FKJNIKPHXHIJPD-RYUDHWBXSA-N 319.427 -0.947 30 20 DBED CN(CCNC(=O)[C@H]1COCCN1C)c1ncc(C#N)cc1F 1100028292 NMKZZEQXSAXWEN-CYBMUJFWSA-N 321.356 -0.025 30 20 DBED N#CCNC(=O)CNC1CC(CNC(=O)c2cncnc2)C1 1100264006 SSMPJXSJGHOZJD-UHFFFAOYSA-N 302.338 -0.786 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)[C@@H](C(C)C)N(C)C)C1 1100647081 BQKSADKEVAHLDW-ZBCRRDGASA-N 322.453 -0.194 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)Cn2nccc2C)C1 1100714295 HEYPKENEHNBQIU-UHFFFAOYSA-N 317.393 -0.575 30 20 DBED C=CCOCC(=O)N1C[C@H]2CN([C@@H]3CCNC3=O)C[C@@]2(C)C1 1101175492 QFPBDIVHXHPBRT-IOASZLSFSA-N 307.394 -0.142 30 20 DBED C=CCNC(=O)CN1C[C@@H]2CN(C(=O)c3cnon3)C[C@]2(C)C1 1101397903 MUDQWSWJTRCJCB-ABAIWWIYSA-N 319.365 -0.234 30 20 DBED C#CCC1(C(=O)NC[C@@H]2CN(CC(N)=O)C[C@H]2C)CCOCC1 1102031988 LWAPOADNRNLCKO-ZIAGYGMSSA-N 321.421 -0.024 30 20 DBED C#CCN1C[C@@H](C)[C@H](CCNC(=O)CCCS(N)(=O)=O)C1 1103385636 DBJUKNXPQDRPFY-CHWSQXEVSA-N 315.439 -0.238 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)CCN(C)C)C1 1103397023 VHGJOWSELAFTRR-HUUCEWRRSA-N 322.453 -0.238 30 20 DBED C#CCNC(=O)CNCC[C@@H]1CN(C(=O)[C@@H](C)OC)C[C@H]1C 1103945986 HHVHSLFOCUNUBF-MGPQQGTHSA-N 309.410 -0.155 30 20 DBED Cc1nonc1CC(=O)NC[C@H](C)CN=c1cc[nH]c(C#N)n1 1104067409 NTXCWOGNPVAWKB-SECBINFHSA-N 315.337 -0.132 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCNC1=O)CNc1cnc(C#N)cn1 1104156980 BXTLJPPXTUGZMT-KOLCDFICSA-N 302.338 -0.351 30 20 DBED N#Cc1c[nH]ccc1=NC1(CNC(=O)CNC(N)=O)CCCC1 1104369523 VNGIECZPAACREC-UHFFFAOYSA-N 316.365 -0.116 30 20 DBED CC[C@H](NC(C)=O)C(=O)N(C)[C@@H](C)CN=c1cc[nH]c(C#N)n1 1104819190 LLVKEBXTANBNMD-JQWIXIFHSA-N 318.381 -0.056 30 20 DBED C[C@@H](CNc1cncc(C#N)n1)N(C)C(=O)[C@H]1C[C@H]1C(N)=O 1104826601 AXJKPGNUYSYXEG-GDPRMGEGSA-N 302.338 -0.272 30 20 DBED C#CCNCc1cn(C2CN(C(=O)[C@@H]3C[C@H](C)CO3)C2)nn1 1105285992 ZYTJEDJWWVDXEM-FZMZJTMJSA-N 303.366 -0.191 30 20 DBED CC[C@@H](C(=O)N1CC(n2cc(CNCC#N)nn2)C1)N(C)C 1105328848 ZXSWZJWEHJUMEF-ZDUSSCGKSA-N 305.386 -0.385 30 20 DBED CN(CCN(C)c1ccncc1C#N)C(=O)Cn1cnnn1 1105344663 QQGMFXWQZHSVFY-UHFFFAOYSA-N 300.326 -0.465 30 20 DBED CN(CCN(C)c1cncc(C#N)n1)C(=O)c1nnn(C)n1 1105534808 DYVDEQZFKCAQAB-UHFFFAOYSA-N 301.314 -0.920 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)C2CCOCC2)C[C@H]1C 1105753267 QOLZJCJMIZFEQX-UKRRQHHQSA-N 321.421 -0.154 30 20 DBED CN1CCC[C@H]1C(=O)NC[C@H](O)CN=c1cc[nH]cc1C#N 1105756116 PHUPCMVTUHFLLH-OCCSQVGLSA-N 303.366 -0.642 30 20 DBED Cc1[nH]nc(C(=O)NC[C@@H](O)CN=c2cc[nH]cc2C#N)c1C 1105762357 OFXIUCNBSHRUHW-LBPRGKRZSA-N 314.349 -0.082 30 20 DBED C=CCO[C@@H](C)C(=O)NC[C@@H](O)CN=c1cc[nH]cc1C#N 1105892494 YLOSPNHEKNOLLR-AAEUAGOBSA-N 304.350 -0.145 30 20 DBED C[C@]1(C(=O)NC[C@@H](O)CNc2cnc(C#N)cn2)CCOC1 1105939388 QDJQDIJHDDOROV-FZMZJTMJSA-N 305.338 -0.336 30 20 DBED C=C[C@](C)(O)CC(=O)N1C[C@@H](C)[C@H](CNCC(=O)NCC#N)C1 1106059279 QJFIUIPDXGIUJV-IOASZLSFSA-N 322.409 -0.363 30 20 DBED CN1CCCC[C@@H]1C(=O)NC[C@@H](O)CNc1nccnc1C#N 1106165035 BORLPOMDGOAGKH-WCQYABFASA-N 318.381 -0.278 30 20 DBED CC(=O)NC(C)(C)C(=O)N[C@H](C)CCN=c1cc[nH]c(C#N)n1 1106377372 HICIIHAHQKHDMI-SNVBAGLBSA-N 318.381 -0.008 30 20 DBED C[C@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)C1(C(N)=O)CC1 1106550476 WCUOJUZVWMUYMN-SECBINFHSA-N 302.338 -0.658 30 20 DBED C[C@@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)[C@@]1(C)CCNC1=O 1106565934 NDIKDYBIDARGML-BONVTDFDSA-N 316.365 -0.397 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)[C@H]2CN(C(C)=O)CCO2)C[C@H]1C 1106935670 TUQQHVBNKKERJV-FVQBIDKESA-N 321.421 -0.059 30 20 DBED C=C(C)CN1CC(n2cc(CNC(=O)Cc3nc[nH]n3)nn2)C1 1107227344 IFZMSEGAMAVTAW-UHFFFAOYSA-N 316.369 -0.312 30 20 DBED C#CCCCC(=O)NC[C@@]1(C)CN(CC(=O)NCC#C)CCO1 1107901724 WUOSZYBXPAJAHQ-KRWDZBQOSA-N 319.405 -0.254 30 20 DBED COCCO[C@H](C)C(=O)N[C@H](C)CN=c1cc[nH]c(C#N)n1 1107930148 LSFNJVKQRLIRIP-GHMZBOCLSA-N 307.354 -0.262 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)c1ccc2nn[nH]c2n1 1108176059 ZWXNSDLPBKXKSI-MRVPVSSYSA-N 323.320 -0.333 30 20 DBED C=C[C@@](C)(CC)C(=O)N[C@H]1CC(=O)N(C2CN(CCO)C2)C1 1108569052 BGCAHFXYAFPCRT-LRDDRELGSA-N 309.410 -0.018 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)COCCC=C)CC2=O)C1 1108593678 BKLAWERTPDNCBH-CYBMUJFWSA-N 305.378 -0.386 30 20 DBED C[C@H](CN(C)c1nccnc1C#N)NC(=O)[C@H]1CCN(C)C1=O 1109184136 ULNWJHYJUXQZPI-GHMZBOCLSA-N 316.365 -0.233 30 20 DBED C[C@@H]1CCO[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1109735406 FPSYZEVMQZUWPA-BIGJJFBESA-N 320.393 -0.227 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H](CCC(N)=O)NC(C)=O 1109849311 MUGUEZWUFZAGKK-MQYQWHSLSA-N 320.393 -0.889 30 20 DBED CO[C@@H](C)C(=O)N(C)[C@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1111170974 LKOPFQMKSCZQKN-DLOVCJGASA-N 305.338 -0.609 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1111176890 SRTVMMXOGSOFJT-USWWRNFRSA-N 300.322 -0.484 30 20 DBED N#Cc1ccc(N2C[C@H]3CN(C(=O)CNC(N)=O)C[C@H]3C2)cn1 1111286567 OPUVZLAFWXAWNJ-PHIMTYICSA-N 314.349 -0.484 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@]1(CO)CCCN(c2ncccn2)C1 1111361586 UAYADRLCLRXZBA-CJNGLKHVSA-N 318.377 -0.038 30 20 DBED C#CCCN[C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1C(F)(F)F 1112045660 HNEPHOSVQROBEW-RKDXNWHRSA-N 306.288 -0.343 30 20 DBED COCC#CCN1CCN(C(=O)[C@@H]2CCCCN2C(N)=O)CC1 1113520160 OYWLQVZLXCDOGC-AWEZNQCLSA-N 322.409 -0.286 30 20 DBED C[C@H](CNC(=O)CS(C)(=O)=O)N(C)c1ccc(C#N)nn1 1113520409 BDNNWMAGYPROTG-SECBINFHSA-N 311.367 -0.666 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CCNC(=O)C1)N(C)c1nccnc1C#N 1113575459 VVEFMMFIPCDQTQ-WDEREUQCSA-N 316.365 -0.185 30 20 DBED CCn1nc(C)c(C(=O)N2CCN(CC(=O)NCC#N)CC2)n1 1113734231 AVNAOCZNBJLRNF-UHFFFAOYSA-N 319.369 -0.996 30 20 DBED C=CCNC(=O)NC(=O)CN1C[C@H]2[C@H](NC(=O)C3CC3)[C@H]2C1 1113754566 GENPYIWSTIJMNU-PJXYFTJBSA-N 306.366 -0.545 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)[C@]3(C)CCC(=O)N3)[C@@H]2C1 1114787421 SMSBUBMNHFVQRC-HSMVNMDESA-N 305.378 -0.649 30 20 DBED C=CCN1C[C@H]2C(NC(=O)[C@@H](NS(C)(=O)=O)C(C)C)[C@@H]2C1 1114943020 QHKABAHWOKICFS-UTUOFQBUSA-N 315.439 -0.207 30 20 DBED C[C@H](C#N)C(=O)NCCOCCN(C)c1nccn2nnnc12 1115186769 BMWAXAUBJFYXED-SNVBAGLBSA-N 318.341 -0.752 30 20 DBED C=CCCOCC(=O)NC1[C@@H]2CN([C@H]3CCCNC3=O)C[C@@H]12 1115326799 SZVITVQWTMOXSH-UPJWGTAASA-N 307.394 -0.096 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)N[C@H]2CCn3ccnc3C2)CCO1 1117556339 IMUCGWYFFBAPGX-QWRGUYRKSA-N 303.322 -0.935 30 20 DBED CO[C@@H](C)C(=O)NC1CC2(CC(NCC(=O)NCC#N)C2)C1 1120732158 FMRBKQDUDUWBQT-ZWESNROVSA-N 308.382 -0.322 30 20 DBED N#Cc1c[nH]ccc1=N[C@H](CO)CNC(=O)Cn1ccnc1 1121719128 ZJOKOSJQYMZFRV-LBPRGKRZSA-N 300.322 -0.839 30 20 DBED CCC(=O)N[C@H](C)C(=O)NC[C@@H](CO)Nc1cncc(C#N)n1 1122752518 OJBGDZRSMNQEPY-KOLCDFICSA-N 320.353 -0.848 30 20 DBED CC(=O)N[C@H](C)C(=O)N(C)C[C@H](O)CNc1nccnc1C#N 1124059238 DQRCHDAHOZZZPQ-MWLCHTKSSA-N 320.353 -0.896 30 20 DBED CN(C[C@@H](O)CNc1cnc(C#N)cn1)C(=O)CSCC#N 1124111477 HZUMDMSJPORZPQ-NSHDSACASA-N 320.378 -0.164 30 20 DBED Cc1nn[nH]c1C(=O)N(C)C[C@@H](O)CNc1cncc(C#N)n1 1124633188 FHZOJEPGTUBESE-JTQLQIEISA-N 316.325 -0.680 30 20 DBED C[C@@H](CC(N)=O)C(=O)N(C)C[C@@H](O)CN=c1cc[nH]cc1C#N 1124689606 WFVQUNNDMFHVAT-JQWIXIFHSA-N 319.365 -0.882 30 20 DBED C[C@@H](C#N)C(=O)NCCNC[C@H]1CCN(S(C)(=O)=O)C1 1124894771 BNHCDYIQIZUCPL-WDEREUQCSA-N 302.400 -0.867 30 20 DBED C[C@@H](C#N)C(=O)NCCN[C@@H]1CCN(c2cnn(C)c2)C1=O 1124903241 PJRYRJKXFFRACI-CMPLNLGQSA-N 304.354 -0.609 30 20 DBED N#Cc1cc(C(=O)NCCNCC(=O)NCC(F)(F)F)c[nH]1 1125981887 MXQJVIZIUFYBPM-UHFFFAOYSA-N 317.271 -0.116 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCN[C@@H](C)C(=O)NC(=O)NCC 1126360415 OCWKGVNOWXRGFN-IINYFYTJSA-N 314.386 -0.747 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)c1n[nH]cc1C 1126869844 TUSYUKGOOZGPFD-JTQLQIEISA-N 322.369 -0.562 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)c1cccn2nnnc12 1128209386 XYJAJOSQSDMUNY-SNVBAGLBSA-N 317.353 -0.866 30 20 DBED C[C@@H](CC(=O)NCc1cnn2c1CN(CC#N)CC2)NC(N)=O 1128351366 WYOVEKZFIOBRRU-JTQLQIEISA-N 319.369 -0.715 30 20 DBED C=CCOCCNCCNC(=O)[C@@H]1CCCCS1(=O)=O 1129339584 HINLSOCRGJZMIQ-LBPRGKRZSA-N 304.412 -0.138 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)[C@H]2CCCCN2C)C1=O 1130300153 JLJJHTVYMNJDCK-UONOGXRCSA-N 308.426 -0.037 30 20 DBED C[C@H]1CN(C(=O)C2CC2)C[C@]2(CCN(CC(=O)NCC#N)C2)O1 1131612214 CVXDKVGFZJHCIU-BLLLJJGKSA-N 320.393 -0.272 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1occ2c1CCOC2 1131858116 JTFCZJJJUMGHGL-UHFFFAOYSA-N 307.350 -0.026 30 20 DBED C=CCNC(=O)CN1C[C@H](NC(=O)CC(=O)NC)CC[C@@H]1C 1131973158 YRGUSQSLBHWXCI-NWDGAFQWSA-N 310.398 -0.606 30 20 DBED CN1C[C@H](C(=O)NCCNCc2ccccc2C#N)NC1=O 1132386757 KEASIIACYRTZTL-CYBMUJFWSA-N 301.350 -0.212 30 20 DBED Cn1nc(C(C)(C)C)cc1C(=O)NCCNCC(=O)NCC#N 1133311817 IVNXYTDYRRMLRI-UHFFFAOYSA-N 320.397 -0.323 30 20 DBED C=CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)CCc1nc[nH]n1 1134044084 UXENNYIHSSDCIM-NWDGAFQWSA-N 322.413 -0.088 30 20 DBED C#CCCN[C@H](C)C[C@@H](C)NC(=O)Cn1cnc(C(N)=O)n1 1134401803 WWLBXNVDCBOBEM-GHMZBOCLSA-N 306.370 -0.727 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)NCCNCC(=O)NC1CC1 1134816998 KYGSTOYDAUZTLX-CYBMUJFWSA-N 310.398 -0.558 30 20 DBED C[C@H](C[C@@H](C)NC(=O)CCc1nnc(O)nc1O)NCC#N 1134863256 GVXSJTOFNFIALL-RKDXNWHRSA-N 308.342 -0.388 30 20 DBED C=CCC[C@H](C)NCCNC(=O)CCn1cc[nH]c(=O)c1=O 1135390307 IORLPFPLSWMKCR-LBPRGKRZSA-N 308.382 -0.013 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1cnn(CC(C)C)c1 1135808928 YDVUDMNVGVZWSU-CYBMUJFWSA-N 319.409 -0.004 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC2(CN(C(=O)c3cn[nH]c3)C2)C1 1147035201 VCGKHAKIDSGWRV-LBPRGKRZSA-N 315.377 -0.305 30 20 DBED C#CCNC(=O)CC(=O)N1CC2(CCN(Cc3cnon3)C2)C1 1147369197 WYOVPVKAMRXTIS-UHFFFAOYSA-N 317.349 -0.757 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CN(CCS(C)(=O)=O)CCCO1 1149409838 VTZXWSGPLNSNKE-NWDGAFQWSA-N 317.411 -0.602 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)COC[C@@H]1CCCO1 1153684038 FIXNUEHLFVOUSM-STQMWFEESA-N 313.398 -0.422 30 20 DBED C=CCNC(=O)CN(CC)[C@H](C)CNC(=O)c1cnnc(O)c1 1153930183 JCRPPLHMJPWKAC-LLVKDONJSA-N 321.381 -0.075 30 20 DBED C=C(C)CN(CC)[C@H](C)CNC(=O)CNC(=O)CNC(C)=O 1154053630 SURAYSKMRGIXMR-GFCCVEGCSA-N 312.414 -0.359 30 20 DBED CNC(=O)Cc1noc(CNCCCNC(=O)[C@@H](C)C#N)n1 1155847936 DWKAVUOPWGXMKT-VIFPVBQESA-N 308.342 -0.886 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)[C@H]1CCNC(=O)C1 1156522842 DZIFAUWHQLMSEZ-NEPJUHHUSA-N 310.398 -0.701 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)[C@@H]2CCC(=O)NC2)C1=O 1161628039 LBTDVLSNMGUZDN-CHWSQXEVSA-N 322.409 -0.605 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)CCc1cnn(C)n1 1166826499 KVHCCUKJJZTVJK-GFCCVEGCSA-N 322.413 -0.466 30 20 DBED CC[C@H]1C[C@H](C(=O)NCCCNCC(=O)NCC#N)CCO1 1170421410 OYNIEWYXGPZEQH-OLZOCXBDSA-N 310.398 -0.073 30 20 DBED C[C@@H](CCCCNCC(=O)NCC#N)NC(=O)c1cnn(C)n1 1175693819 BDTOLMFRXNCCHT-NSHDSACASA-N 321.385 -0.667 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](C)[C@](C)(CN[C@H](C)C(N)=O)C1 1181173419 JEEVGRRXBOSKJN-XHBSWPGZSA-N 322.409 -0.926 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](NCc2nonc2C)C1 1182134358 MOOCWKLAICIXAF-LLVKDONJSA-N 305.338 -0.792 30 20 DBED C[C@H]1CN(C(=O)CN2CC(=O)N(C)C2=O)CC[C@H]1CNCC#N 1185492845 RWFINKMVBAYDDF-RYUDHWBXSA-N 321.381 -0.522 30 20 DBED C#CCCN[C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1 1185632804 GIWVRRHMZKEMPH-HZSPNIEDSA-N 307.394 -0.164 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)CC(=O)N(C)C)C1 1186185041 RWUMYMLVZORWMX-VXGBXAGGSA-N 310.398 -0.654 30 20 DBED N#CCNC(=O)CN[C@@H]1CCN(C(=O)c2ncoc2C2CC2)C1 1186799356 IPVSNCSVAPPNJV-LLVKDONJSA-N 317.349 -0.004 30 20 DBED Cc1nocc1C(=O)N1CC[C@H]2CN(CC(=O)NCC#N)C[C@H]21 1188991970 OCFFZABSGVGWEV-WCQYABFASA-N 317.349 -0.231 30 20 DBED C=CCNC(=O)CN1C[C@@H]2CCN(C(=O)CC(=O)N(C)C)[C@@H]2C1 1189367577 QHXBQFDTTSYYTL-QWHCGFSZSA-N 322.409 -0.700 30 20 DBED N#CCSCC(=O)N[C@@H]1CN(CC2CCOCC2)C[C@H]1O 1191149522 WQDGCQQTMBXKMG-CHWSQXEVSA-N 313.423 -0.169 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)/C=C\C(C)(C)C)C1 1191825100 YGIYNHLTFTTWQM-ZVHKCJCZSA-N 321.421 -0.112 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)[C@@]2(F)CCOC2)C1 1191947306 ICAMQXYGXLDTKM-SWLSCSKDSA-N 313.373 -0.050 30 20 DBED CC(C)N(C)C(=O)CN1C[C@@H](O)[C@H](NC(=O)C#CC2CC2)C1 1192770804 SWYPUELKDSEORP-ZIAGYGMSSA-N 307.394 -0.572 30 20 DBED COCC#CCN(C)[C@@H]1CCN(C(=O)[C@H](C)N2CCOCC2)C1 1194533016 ZQPZGDOBZIXBMC-JKSUJKDBSA-N 323.437 -0.110 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCCN([C@H]2CCC(=O)NC2=O)CC1 1195791362 ATAAVJWDHJUICY-STQMWFEESA-N 321.377 -0.636 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@]23CCCC[C@H]2C3)C1 1196003502 DXORUBWWIXNXDP-ZOMKSWQUSA-N 319.405 -0.523 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(CC#CCOC)C[C@H]2O)nc1 1197926157 GDCPVOQRWMCYER-HZPDHXFCSA-N 313.357 -0.512 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)c2ccnc(C)n2)C1 1198706915 JPIVNBODEBOAPB-ZIAGYGMSSA-N 304.350 -0.790 30 20 DBED N#CCNC(=O)CNC1CCN(C(=O)c2cscn2)CC1 1199733238 HAIZLAPTQOOELN-UHFFFAOYSA-N 307.379 -0.023 30 20 DBED CN1C(=O)CC[C@@H]1CC(=O)N1CCCO[C@H](CNCC#N)C1 1201128470 IECZODXOOKSOLP-CHWSQXEVSA-N 308.382 -0.272 30 20 DBED C=CCN1CC[C@H](N2C[C@@H](NC(=O)CC(N)=O)[C@H](C)C2)C1=O 1206720278 BPECQZOOWRCVFA-UTUOFQBUSA-N 308.382 -0.915 30 20 DBED Cc1cnn(CC(=O)N2CCC[C@@H](NCC(=O)NCC#N)C2)c1 1207549089 DQBBXXIHWMCQHE-CYBMUJFWSA-N 318.381 -0.588 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC[C@@H](NCc2cn(C)nn2)C1 1208025588 PFRONQOFMWMGFN-QWHCGFSZSA-N 305.382 -0.066 30 20 DBED C=CCCCN[C@@H]1CCCN(C(=O)Cn2cnc(C(N)=O)n2)C1 1208074413 YMKNMCVKSSCUGC-GFCCVEGCSA-N 320.397 -0.076 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCN(C(=O)c2n[nH]cc2F)C1 1209504530 RWCPFCATCIEYHM-SECBINFHSA-N 308.317 -0.617 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2CCC(=O)N2)C1 1210757784 WVNWRNBPWYKLLH-NEPJUHHUSA-N 308.382 -0.852 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2csnn2)C[C@H]1OC 1212257416 BHFHMGFVTVNTNB-CYZMBNFOSA-N 324.406 -0.108 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](NCCOCC=C)[C@H](C)C1 1214473815 QYCGQOANCRGUTQ-ZIAGYGMSSA-N 307.394 -0.235 30 20 DBED CCOC1CC(C(=O)N2C[C@@H](NCC(=O)NCC#N)[C@H](C)C2)C1 1214553245 LYWKAWAWORINIC-BLYZHGLHSA-N 322.409 -0.122 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CN(Cc2ccc(C(N)=O)cc2)C[C@@H]1O 1219365601 BDUKFAVNLJCHOT-GDLCADMTSA-N 316.361 -0.394 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2ncnn2CC)C[C@@H]1O 1221143433 DPLDWPWUJWYXJK-UPJWGTAASA-N 323.397 -0.450 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2ncccn2)C[C@@H]1O 1221143869 UUIFMURESJKLDL-UPJWGTAASA-N 306.366 -0.271 30 20 DBED COCC#CCN1CC[C@@H]2CN(C(=O)COCCOC)[C@@H]2C1 1221454434 CVOXTGKUTSAPPB-HUUCEWRRSA-N 310.394 -0.168 30 20 DBED CCNC(=O)NC(=O)CN1CCC(NC(=O)[C@@H](C)C#N)CC1 1226626086 UBPIJDOKUZRNJK-JTQLQIEISA-N 309.370 -0.428 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@@H]1CN(C)C(=O)C(C)(C)C(N)=O 1235588280 IQUSBIGHYORQJD-NWDGAFQWSA-N 322.409 -0.832 30 20 DBED CN(C[C@@H]1CCCC[C@H]1O)C(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1261485903 MPLQOHWWEQHJPO-ZENOOKHLSA-N 323.393 -0.127 30 20 DBED C=C[C@H]1CCCCN1C(=O)C(=O)NCc1nc(O)cc(CN)n1 1261636253 DCDJMFZJROALPE-NSHDSACASA-N 319.365 -0.176 30 20 DBED C#CCN(C(=O)C(=O)NCc1nc2ncccn2n1)C(C)C 1262289475 FEUIIQWBDSWUGK-UHFFFAOYSA-N 300.322 -0.389 30 20 DBED C=CCOCC(=O)N[C@H]1CCCN(CC(=O)NC(=O)NC)C1 1268169680 MWFVTGFYUBKCKS-NSHDSACASA-N 312.370 -0.775 30 20 DBED COC(=O)[C@H](NC(=O)CCN/C(O)=C1/N=CC=CC1=O)C1CC1 1319474891 OGWDSHCHLQLTLT-HUTFPVNGSA-N 321.333 -0.029 30 20 DBED N#CCCCCNC(=O)N1CCN(CCS(N)(=O)=O)CC1 1321191631 GYRWWQXRSPVJEO-UHFFFAOYSA-N 317.415 -0.704 30 20 DBED C#CCOCCNC(=O)C(=O)NC[C@H]1CCCN(C(C)C)C1 1323698447 CQEZJBGBHSLRRW-CQSZACIVSA-N 309.410 -0.011 30 20 DBED C[C@@H]1C[C@H](NC(=O)C(=O)N2CCO[C@H](C#N)C2)CN1C1CC1 1325495663 OONKWAVCLOHRDT-NTZNESFSSA-N 306.366 -0.521 30 20 DBED C#C[C@@H](NC(=O)Cn1ncn2nccc2c1=O)[C@H]1CCCO1 1325774669 UZZNJOMPDCFBCD-ZYHUDNBSSA-N 301.306 -0.812 30 20 DBED CC(C)N[C@@H]1CCCN(C(=O)C(=O)N2CCO[C@@H](C#N)C2)C1 1327133133 DEXKREBWQIJXGU-OLZOCXBDSA-N 308.382 -0.274 30 20 DBED C=CCCC(=O)CN1C(=O)N[C@@H](CCS(N)(=O)=O)C1=O 1327563182 BBAGIICPWKBOSA-VIFPVBQESA-N 303.340 -0.879 30 20 DBED C#CCN1CCC[C@H](NC(=O)NCC(=O)NCC(F)F)C1 1333488573 HTRHEBMZJCBFFY-JTQLQIEISA-N 302.325 -0.236 30 20 DBED C=CCn1cc(Cn2nnnc2N2CCO[C@H](COC)C2)nn1 1336153863 CEOPUIRLXIAJTD-LBPRGKRZSA-N 320.357 -0.650 30 20 DBED C=C(C)COCCn1nnnc1N1CC[C@@H](S(C)(=O)=O)C1 1337280878 RWXQMUHBLUOILV-LLVKDONJSA-N 315.399 -0.111 30 20 DBED N#CC1(CNC(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)CCOCC1 1364240937 SQHKCQMRBBNRSY-WDEREUQCSA-N 310.354 -0.361 30 20 DBED N#Cc1ccc([C@H](O)CN2C[C@@H](C(N)=O)[C@H](C(N)=O)C2)cc1 1364470603 XLGIELDCPMEITI-JHJVBQTASA-N 302.334 -0.890 30 20 DBED CC(C)[C@H](CNC(=O)CNC(=O)C1CC1)NC(=O)[C@H](C)C#N 1375960446 UIFMCIVQNYIUGV-PWSUYJOCSA-N 308.382 -0.071 30 20 DBED CCN(CCC#N)C(=O)CN1CC[C@H]1CNC(=O)c1cnn[nH]1 1406869007 UECZGZXOMBZVBB-NSHDSACASA-N 319.369 -0.629 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](C)NC(=O)c1ccc(C(N)=O)nc1 1408302485 AVDUODVTMNNGEW-DTWKUNHWSA-N 303.322 -0.425 30 20 DBED Cc1nn(C)c(NC(=O)CN2CCS(=O)(=O)CC2)c1C#N 1411476872 QNXCWZQAXOYBBP-UHFFFAOYSA-N 311.367 -0.731 30 20 DBED Cc1nn(CC(=O)N=[S@@](C)(=O)N(C)C)c(=O)c(C#N)c1C 1412923586 PGQNTEXVISTFQR-OAQYLSRUSA-N 311.367 -0.167 30 20 DBED Cc1nn(C)cc1C(=O)NC[C@]1(O)CCN(C(=O)[C@@H](C)C#N)C1 1417435065 RBPAULIKFBFAMJ-ZUZCIYMTSA-N 319.365 -0.419 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CN(C)C(=O)c1cccc(=O)n1C 1425860253 PZVJATDPVASLMD-MNOVXSKESA-N 320.349 -0.906 30 20 DBED C[C@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)c1ncn(C)n1 1431628835 FVETYPIUEFYVKB-MRVPVSSYSA-N 301.310 -0.437 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(CC(=O)N(C)CC2CC2)C1 1440039447 ROXOMJBDOVJKDW-NSHDSACASA-N 308.382 -0.823 30 20 DBED C=C(Cl)CN1CC(O)(CNC(=O)C[C@H]2CCC(=O)N2)C1 1440085759 POEYUGPMJGFBDU-SNVBAGLBSA-N 301.774 -0.430 30 20 DBED CCC(=O)N1CC[C@H](C(=O)N2CC(NC(=O)[C@@H](C)C#N)C2)C1 1456399869 WPYGENURCKMHAH-QWRGUYRKSA-N 306.366 -0.268 30 20 DBED Cn1ncc2c(O)nc(CCC(=O)N3CCO[C@@H](C#N)C3)nc21 1464838142 CDKHGMMABHHPOU-VIFPVBQESA-N 316.321 -0.248 30 20 DBED C[C@H](CN(C)C(=O)c1nc2ncccn2n1)NC(=O)[C@H](C)C#N 1487877784 UVWCMVLCYSVBCP-NXEZZACHSA-N 315.337 -0.139 30 20 DBED C[C@H](C#N)C(=O)NCC1CN(C(=O)c2cc(C(N)=O)c[nH]2)C1 1530880378 MVBYOEBAVOQXRN-MRVPVSSYSA-N 303.322 -0.539 30 20 DBED C=CCNC(=O)CN1CCC[C@@H](NC(=O)CNC(=O)CC)C1 1567761436 SYLOGHZVAZOTAN-GFCCVEGCSA-N 310.398 -0.605 30 20 DBED COC[C@@H](O)CN1CC[C@](O)(CNC(=O)C#CC(C)(C)C)C1 1569748116 VQZBHFNQHBLEAL-BBRMVZONSA-N 312.410 -0.404 30 20 DBED C#CCN(CC(=O)O)C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C 1573318331 NKQYVDUUVCAQPT-SNVBAGLBSA-N 314.338 -0.192 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CCN(c2cnc(-c3nn[nH]n3)cn2)C1 1573585516 RKDBNQZMLJTQMR-RKDXNWHRSA-N 313.325 -0.489 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N[C@H]1CC2(CNC2)n2ccnc21 1575912842 RMSZLAYKWOAJFV-MNOVXSKESA-N 324.410 -0.305 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)SC[C@H](NC(C)=O)C(=O)O 1588844001 MLNPGMAKFFCWSW-APPZFPTMSA-N 317.367 -0.291 30 20 DBED O=C(O)[C@H]1C[C@@H]1C(=O)N[C@H]1[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]21 1601779864 JFJVFAXEVIDJJT-ZXPJVPCYSA-N 302.330 -0.307 30 20 DBED C[C@H]1CN(c2cnc(-c3nn[nH]n3)c(C#N)n2)CC[S@](=O)C1 1603940876 KKUQNMRLRWFNET-ZCAPAMDOSA-N 318.366 -0.267 30 20 DBED COC(=O)C1(C(=O)Cn2cnc(-c3nn[nH]n3)c2C#N)CC1 1604916905 VZVHNGWCZFMOHQ-UHFFFAOYSA-N 301.266 -0.543 30 20 DBED CC[C@H](C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[nH]1)C(=O)OC 1609182298 YGVLYXUTDMCJHV-RXMQYKEDSA-N 304.270 -0.401 30 20 DBED CN(CCC#N)C(=O)CCN1CC[C@@H](n2cc(C(=O)O)nn2)C1 1610114675 REEUXKTWYWWNOZ-LLVKDONJSA-N 320.353 -0.015 30 20 DBED C#CCOCCC(=O)N[C@H]1CCN(CCNC(=O)NC(C)C)C1 1731372654 VOQXWFMPAJQJRD-AWEZNQCLSA-N 324.425 -0.076 30 20 DBED C=CCNC(=O)[C@H](C)N(C)CCCNC(=O)[C@@H]1CCCNC1=O 1751994676 KFOOJUCZWXZHGR-QWHCGFSZSA-N 324.425 -0.359 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@H](NC(=O)c2coc(OC)n2)C1 1752652785 PEYDZBDVBAGCCC-MGCOHNPYSA-N 306.322 -0.717 30 20 DBED C=CCN1CC[C@H](N[C@H](C)CNC(=O)c2cnn(CC)n2)C1=O 1752870809 OHKDFRGURRZCAH-NEPJUHHUSA-N 320.397 -0.207 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@@H](CNC(=O)c2ccon2)C1 1753119260 LSUHOAZDABGHEU-NEPJUHHUSA-N 304.350 -0.136 30 20 DBED CC#CCCCC(=O)NC[C@H]1CN(Cc2nnnn2C)CCO1 1753652285 DXTGBXBIWFUUBI-ZDUSSCGKSA-N 320.397 -0.279 30 20 DBED C#CCNC(=O)CN1CCC(C)(NC(=O)c2n[nH]cc2F)CC1 1754629132 RPYJCBMEMCNCQD-UHFFFAOYSA-N 321.356 -0.118 30 20 DBED C#CCCN1CC[C@](O)(CNC(=O)c2cccc(C(N)=O)c2)C1 1754752091 ALFQWGRAXVYWAM-KRWDZBQOSA-N 315.373 -0.025 30 20 DBED CC#CCN1CCC[C@@](CO)(NC(=O)c2c[nH]c(=O)cn2)C1 1754858209 WKHGOEGJGXOTRP-OAHLLOKOSA-N 304.350 -0.650 30 20 DBED CC1(C)CC[C@@H](C(=O)N(CCO)CCNCC(=O)NCC#N)C1 1754892051 COVFNXKFIWJFDZ-CYBMUJFWSA-N 324.425 -0.137 30 20 DBED CC(C)C#CC(=O)N1CCO[C@@H](CNCc2nncn2C)C1 1755002429 QUMXDXNUDQZREC-ZDUSSCGKSA-N 305.382 -0.209 30 20 DBED CNC(=O)NCCC(=O)N1CCC(C)(NCC#CCOC)CC1 1755127011 BUPYVMXSCFHNQQ-UHFFFAOYSA-N 324.425 -0.074 30 20 DBED CN(CC(=O)NCC#N)C[C@H]1CCCN1C(=O)c1ncc[nH]1 1755192062 YLMXETXTZQVPTJ-LLVKDONJSA-N 304.354 -0.414 30 20 DBED C=CCNC(=O)CNCC1CC(NC(=O)[C@@H]2CCN(C)C2=O)C1 1755216399 YAYARNJEACKZHB-BPCQOVAHSA-N 322.409 -0.749 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H](C)N(C)C[C@@H](O)COC 1755304460 ZLPIFHURMUZXGT-ZNMIVQPWSA-N 311.426 -0.472 30 20 DBED C=CCNC(=O)CN[C@H](C)CN(C)C(=O)[C@@]1(C)CCNC(=O)C1 1755592870 MSKPHTPMISQOMM-WBMJQRKESA-N 324.425 -0.359 30 20 DBED CN(C(=O)c1ccnnc1)C1CC(NCC(=O)NCC#N)C1 1755862151 YJRRXSDVYQDMQQ-UHFFFAOYSA-N 302.338 -0.691 30 20 DBED CC(C)(C)C#CC(=O)N1CC(CCO)(NC(=O)c2cnon2)C1 1756087987 XCUZOCFAFCEPOY-UHFFFAOYSA-N 320.349 -0.188 30 20 DBED C=CCCC(=O)NC[C@H](C1CC1)N(C)C(=O)Cn1cnnn1 1756405902 UTJSZWDWSDEZHN-GFCCVEGCSA-N 306.370 -0.008 30 20 DBED C[C@H](CN(C)C(=O)CCn1cncn1)NC(=O)CSCC#N 1756431196 GHCLHILHBUROJQ-LLVKDONJSA-N 324.410 -0.112 30 20 DBED N#CCSCC(=O)N[C@@H](CO)CNC(=O)c1cc(F)c[nH]1 1756534824 ANPNFEUSDLEZNK-SECBINFHSA-N 314.342 -0.383 30 20 DBED CC#CCCCC(=O)N[C@H](CO)CNC(=O)[C@@H]1[C@H]2COC[C@H]21 1756541981 AJYJGCOLGSWREP-RMRHIDDWSA-N 308.378 -0.334 30 20 DBED C[C@H](CN)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)C#N)C2 1795507842 AEPFZDMXIBRBIW-FVCCEPFGSA-N 322.409 -0.279 30 20 DBED CC(=O)C(=O)N1CCOC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1835353853 DULKSQNWCZYTTO-HNNXBMFYSA-N 323.349 -0.664 30 20 DBED C[C@@H]1CN(CCCNC(=O)Cn2cnc(C#N)n2)C[C@@H](C)O1 27723651 KYEGJNKPMUBPPN-VXGBXAGGSA-N 306.370 -0.235 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)COCCOCC)CC1 56968377 ZLDLDNQDGGJHIA-UHFFFAOYSA-N 313.398 -0.514 30 20 DBED C/N=C(/NCCN1CCC1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 261952536 ZFESMZAFVWPVQH-AWEZNQCLSA-N 323.441 -0.409 30 20 DBED C/N=C(/NCCNS(C)(=O)=O)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C 262455574 WSQGMJYXIJOWRR-HBNTYKKESA-N 318.443 -0.486 30 20 DBED N#Cc1cc(Cl)ccc1S(=O)(=O)N1C[C@@H](O)[C@H](O)C1 277593796 WACKIQPZJVXALP-NXEZZACHSA-N 302.739 -0.062 30 20 DBED CS(=O)(=O)N1CCc2cc(C(=O)NCC#CCO)ccc21 282858813 HEDACMCQLWKKGB-UHFFFAOYSA-N 308.359 -0.266 30 20 DBED N#Cc1ncn(CCNC(=O)N2CC(=O)N[C@H]3CCCC[C@@H]32)n1 288007055 XXQXQANNWXWRPD-QWRGUYRKSA-N 317.353 -0.398 30 20 DBED C=C[C@@H](CO)NC(=O)NCCS(=O)(=O)NCC1CCC1 290845978 CHCHBOOCWBGQAO-NSHDSACASA-N 305.400 -0.448 30 20 DBED CNC(=O)NCC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 293677789 JBPRMQUGKYCJSS-NSHDSACASA-N 303.322 -0.138 30 20 DBED COc1nccc(N/C(O)=N/C[C@@H]2CCS(=O)(=O)C2)n1 328661426 ACXCRIWBATUSSD-QMMMGPOBSA-N 300.340 0.246 30 20 DBED C[C@H](CN1CCOCC1)NS(=O)(=O)N(C)[C@H](C)CC#N 330419263 QGLRKKWHEKHMPI-VXGBXAGGSA-N 304.416 -0.225 30 20 DBED COC(=O)[C@@H](CO)NC(=O)[C@@H]1CCCN1/C(O)=N/C(C)C 330738374 NXTHSHLKMCFDLU-ZJUUUORDSA-N 301.343 -0.577 30 20 DBED CNC(=O)[C@@H]1CN([C@@H](C)C(=O)N/C(O)=N/C(C)C)CCO1 330812166 LXTHRBCWOOXVMA-UWVGGRQHSA-N 300.359 -0.740 30 20 DBED N=C(O)[C@H]1CCCN(CCC/N=C(/O)N2CCNC(=O)C2)C1 330933954 GHWYSSWVPJAOJA-NSHDSACASA-N 311.386 -0.030 30 20 DBED CCc1nn(C)c(OC)c1C/N=C(/O)N1C[C@@H](O)C[C@H]1CO 331175211 PKAHFFLACBGCMY-UWVGGRQHSA-N 312.370 -0.167 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N2CC[C@H]([C@H]3CCOC3)C2)CCO1 336889590 IOAZNVHUOPHPNX-RWMBFGLXSA-N 315.395 -0.186 30 20 DBED COC(=O)[C@H]1CN(S(=O)(=O)CC2(C#N)CC2)C[C@H](C)O1 337983752 KDNPKOIHHKBJCP-VHSXEESVSA-N 302.352 -0.118 30 20 DBED C=CCCN(C)C(=O)C(=O)N[C@H]1CCc2nc(COC)nn2C1 346455401 HUBJETIRQVEJMQ-NSHDSACASA-N 321.381 -0.110 30 20 DBED CCN(CC)S(=O)(=O)CCNS(=O)(=O)CCCC#N 348123596 VLISMZWSCLVGGM-UHFFFAOYSA-N 311.429 -0.119 30 20 DBED CNS(=O)(=O)c1cc(C(=O)N2CC(O)(CC#N)C2)c(C)o1 352206110 TUEHDBOBEDBLGK-UHFFFAOYSA-N 313.335 -0.403 30 20 DBED CC(C)OCCS(=O)(=O)NCC(=O)N1CCOC[C@H]1C#N 362414790 FVAJMCRNYMEMBR-LLVKDONJSA-N 319.383 -0.918 30 20 DBED C=CCn1cc(CNC(=O)NCCN2CCOC[C@H]2C)nn1 425470981 USMMNTZELOBMBA-GFCCVEGCSA-N 308.386 -0.016 30 20 DBED CCOC(=O)COCCNC(=O)CNc1ccc(C#N)cn1 456113003 WBJOTCUDYIDFES-UHFFFAOYSA-N 306.322 0.061 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CCN(C)C2)CC1 490655938 FBXPEBLTUQRNMK-CQSZACIVSA-N 306.410 -0.778 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CCC(=O)[C@@H](C)C2)CC1 491711371 WEYJNPHESQRQIV-UONOGXRCSA-N 319.405 -0.115 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@H](C)c2cnn(C)c2)CC1 531402089 VAMNRTSZSBZSMN-CYBMUJFWSA-N 319.409 -0.030 30 20 DBED COC(=O)c1c(CC(=O)NCC#CCO)[nH]c(C(C)=O)c1C 559250155 LSEFYIQGSDOTFS-UHFFFAOYSA-N 306.318 -0.033 30 20 DBED C=CCn1cc(CNC(=O)N(C)CC(=O)N2CCOCC2)nn1 567743369 SJVFQQBVOVOOKW-UHFFFAOYSA-N 322.369 -0.536 30 20 DBED CCN([C@H](C)C#N)S(=O)(=O)c1cnn(CC(=O)OC)c1 595359061 ZDFCOKYNLPPMGY-SECBINFHSA-N 300.340 -0.021 30 20 DBED N#CCNC(=O)CNC(=O)Nc1ccc2c(c1)CCNC2=O 596977975 STZHWYZCQMCZAP-UHFFFAOYSA-N 301.306 -0.266 30 20 DBED CS(=O)(=O)N[C@H]1CCCN(CC(=O)NC2(C#N)CCC2)C1 615224197 XFSVLKCCRZORJV-NSHDSACASA-N 314.411 -0.438 30 20 DBED Cc1cccc(C=c2sc(=C(C#N)C#N)n(CC(N)=O)c2=O)c1 727162753 UUVZBBNVJIDGLX-UHFFFAOYSA-N 324.365 -0.270 30 20 DBED C#CCN1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 735382319 YGSXVIBRYBZREV-UHFFFAOYSA-N 314.309 -0.075 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)[C@@H](C)CS(C)(=O)=O 747078482 YDNPQJRKXAAXGM-QMMMGPOBSA-N 306.340 -0.778 30 20 DBED COC(=O)[C@H]1CCN(CC(=O)NCCC#N)[C@@H](C(=O)OC)C1 780351301 PXCYJBDISGGQRU-WDEREUQCSA-N 311.338 -0.557 30 20 DBED COC(=O)Cn1cc(C(C)=NNCCCN2CCOCC2)nn1 799491691 MEXBYOMPGKZKHB-UHFFFAOYSA-N 324.385 -0.513 30 20 DBED Cc1ccc([C@@H](O)CNS(=O)(=O)N2CCO[C@H](C#N)C2)o1 800059551 IOCPTMIBNSKGQG-MNOVXSKESA-N 315.351 -0.320 30 20 DBED C#CC[C@@H](CO)NC(=O)CNC(=O)CNC(=O)OC(C)(C)C 820060121 UTLWTQYGTCZWFM-JTQLQIEISA-N 313.354 -0.872 30 20 DBED C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)C[C@@H](C)C(=O)O 825608819 LRJGFOWYNVXJHI-ZJUUUORDSA-N 323.392 -0.841 30 20 DBED C[C@H](CC(=O)O)N1CCN(S(=O)(=O)N(C)CCC#N)CC1 827386943 ZNHFEBMLBIGVSL-LLVKDONJSA-N 318.399 -0.443 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)CO[C@H](C)CC)CC1 831565423 RUHWPQXPZYMIDW-GFCCVEGCSA-N 317.411 -0.587 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CC2(F)F)CC1 831579477 DSEFNNIEJUNZKW-VIFPVBQESA-N 307.322 -0.747 30 20 DBED C#CC[C@H](NC(=O)Cn1nnc2ccccc2c1=O)C(=O)OC 837932572 AVIJDMMUAIIZCG-LBPRGKRZSA-N 314.301 -0.527 30 20 DBED C#CCOc1ccc(NC(=O)C(=O)N2CCO[C@H](CN)C2)cc1 841213299 MSWNVVCKWDNSIO-CQSZACIVSA-N 317.345 -0.177 30 20 DBED C#CCN1CCN(C(=O)CN[C@H](CCO)C(F)(F)F)CC1 852085274 UHOZPFIGHCHWIL-LLVKDONJSA-N 307.316 -0.333 30 20 DBED C#CCOCCOC(=O)CNS(=O)(=O)c1cn(C)c(C)n1 853896319 VNSHPQMMCMPDCM-UHFFFAOYSA-N 315.351 -0.800 30 20 DBED C#CC[C@@H](CO)NC(=O)[C@@H](C)[C@@H](C)C(=O)N[C@@H](CO)CC#C 854541822 JKACAKAQERCPOZ-KPWCQOOUSA-N 308.378 -0.741 30 20 DBED C#CC[C@H](CO)NC(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 854545554 LLQWIPVLDRDQQU-XMKDAVRRSA-N 320.345 -0.961 30 20 DBED C#CC[C@H](CCOC)NC(=O)Nc1ncn(CC(=O)N(C)C)n1 860693831 KBGCZGUOEOJCLA-LLVKDONJSA-N 322.369 -0.084 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)Cc2cnc(C)o2)CC1 878737622 PPOIQTNOUUUZNF-UHFFFAOYSA-N 318.377 -0.191 30 20 DBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@@H]1CO 889127556 GQRWLXXWYMJTIG-SECBINFHSA-N 309.347 -0.682 30 20 DBED C#CC1(O)CN(C(=O)c2sccc2S(=O)(=O)N(C)C)C1 890522034 AIQHIZILMZIKQH-UHFFFAOYSA-N 314.388 -0.182 30 20 DBED C#Cc1ccc(C(=O)N2CCO[C@H](CN(C)CC(N)=O)C2)cc1 897481578 UKKNQFLUQKUPAW-OAHLLOKOSA-N 315.373 -0.074 30 20 DBED CN(C)CC#CCNC(=O)C1=CC=CN2CCS(=O)(=O)N=C12 913515677 IFQVFJCJUGWUIB-UHFFFAOYSA-N 322.390 -0.835 30 20 DBED CN(C(=O)[C@H]1CCCNC1=O)[C@H]1CCN(C(=O)C#CC2CC2)C1 937351820 GUTMZFOIAIMQOS-KBPBESRZSA-N 317.389 -0.015 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1cc2n(n1)CCO2 937493874 HVVLWNPHDNZTTI-DCAQKATOSA-N 315.333 -0.140 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)c3cnn[nH]3)C2)cn1 941879835 RCQHDWWCIZQMAC-GFCCVEGCSA-N 310.317 -0.175 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2nnn(C)n2)C1 942451667 OZHBQRPGZFUFFY-MXWKQRLJSA-N 320.353 -0.868 30 20 DBED C[C@H](C#N)C(=O)N1CC(N(C)C(=O)Cn2ccccc2=O)C1 954254950 YYIIKYBCQYDGIE-LLVKDONJSA-N 302.334 -0.323 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2ccc3nnn(C)c3c2)C1 958624474 BGZBCKDUGHUDHT-SWLSCSKDSA-N 313.361 -0.376 30 20 DBED CC#CCN1C[C@@H](O)[C@@H](CNC(=O)c2noc3c2COCC3)C1 958724621 RHHUDRQCGQZZPM-WCQYABFASA-N 319.361 -0.207 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cc2ccon2)C1 958761228 JZZCZLDNUBKEII-USWWRNFRSA-N 306.322 -0.593 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H]2[C@@H]1CCN2C(=O)Cn1ncnn1 963533801 GWMKTWLJDDVEGO-WOPDTQHZSA-N 317.353 -0.575 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CN(C(=O)[C@@H]3CCCO3)CCO2)C1 965299944 PPJSGLJUEATVPG-NEPJUHHUSA-N 307.350 -0.235 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CN(C(=O)c3cnn(C)n3)CCO2)C1 965419670 DMSXDGIUNBFGEH-SNVBAGLBSA-N 318.337 -0.972 30 20 DBED C[C@H](C#N)C(=O)N1CCC2(CC1)C[C@H]2NC(=O)Cn1cncn1 965492823 XNKZQZHLELJKQK-VXGBXAGGSA-N 316.365 -0.065 30 20 DBED C[C@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)[C@H]1CC(=O)N(C)C1)C2 969811361 KQKRFSFWZJZOBD-VOAKCMCISA-N 318.377 -0.174 30 20 DBED O=C(N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O)c1ncccc1F 970078776 JBQMQXDQUZMEEF-OLZOCXBDSA-N 317.320 -0.064 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)c3coc(C(N)=O)c3)[C@H]2C1 976857040 BQUVIWXJEYDQHZ-BXSSEVMYSA-N 316.317 -0.275 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@H]1CN(C)C(=O)[C@H]1CNC(=O)N1 978287525 FOFCUWWKRJVBDN-WDEREUQCSA-N 308.382 -0.061 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]1CN(C)C(=O)c1cn(C)c(O)n1 978316854 INZMAINKNYOWNC-ZJUUUORDSA-N 305.338 -0.042 30 20 DBED N#CCN1C[C@H]2C(CNC(=O)c3cnn4c(=O)cc[nH]c34)[C@@H]2C1 978833221 PEWDZJXOZGJSBF-RYUDHWBXSA-N 312.333 -0.546 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCCN([C@H](CC)C(N)=O)CC1 981365505 ORQUHTUUGUWLQN-CABCVRRESA-N 320.437 -0.118 30 20 DBED N#Cc1c[nH]c(C(=O)N2CCCCC[C@H](NC(=O)C(N)=O)C2)c1 986979718 QAROOELRQSYOAQ-NSHDSACASA-N 317.349 -0.127 30 20 DBED C=CCN[C@@H]1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)[C@@H]1C 987103199 FFNRWACPPCTEBP-ZYHUDNBSSA-N 306.366 -0.537 30 20 DBED Cc1cc(C)n(CC(=O)N2CC[C@H](NCC#N)[C@@H]2C)c(=O)n1 987270192 VBSJWOQKKADOFT-STQMWFEESA-N 303.366 -0.037 30 20 DBED C[C@H]1C[C@H](NCc2nnn(C)n2)CN1C(=O)c1c[nH]c(C#N)c1 988612473 LPHPIGVKQHTGCB-CABZTGNLSA-N 314.353 -0.197 30 20 DBED NC(=O)C(=O)N1CC(OC2CCN(C(=O)C#CC3CC3)CC2)C1 994795228 CTMXEUPNCYPBKM-UHFFFAOYSA-N 319.361 -0.897 30 20 DBED C=CCN[C@@H]1CN(C(=O)c2cn(CC(N)=O)nn2)CC1(C)C 996665301 AZCHKAWXRHCBBS-LLVKDONJSA-N 306.370 -0.610 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC(NC(=O)[C@@H]3CC[C@H]3C(N)=O)C2)c1 997406205 QMWTZUBMYJCTGD-GHMZBOCLSA-N 315.333 -0.662 30 20 DBED C=CCCn1cc(C(=O)N[C@H]2CCCN(CC(N)=O)C2)nn1 1008815329 PFBZWCAFVLYSBC-NSHDSACASA-N 306.370 -0.466 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2cn(C[C@@H]3CCOC3)nn2)C1 1015916898 SPXATSNVQXFZLX-QWHCGFSZSA-N 303.366 -0.248 30 20 DBED CC#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1c(O)nnc1O 1018223833 YYCJLGTZYMKJSP-PHIMTYICSA-N 305.338 -0.612 30 20 DBED C[C@@H](C#N)C(=O)N1CCCO[C@@H](CNC(=O)c2ncccn2)C1 1019655625 NWUYFWKQXATMMS-RYUDHWBXSA-N 317.349 -0.016 30 20 DBED N#Cc1ccc(CN2CC(NC(=O)[C@H]3CNC(=O)N3)C2)s1 1030878193 KNFLGZPTUZWBSM-LLVKDONJSA-N 305.363 -0.398 30 20 DBED C#CCN1CC[C@@H](N(C)C(=O)Cc2c(C)nc(O)nc2O)C1 1033529918 KQIMKMLKXWVFSI-LLVKDONJSA-N 304.350 -0.095 30 20 DBED C=CCN1CCO[C@@H](CNC(=O)c2ccnc3c2nnn3C)C1 1035487063 IAIOBBDGEPMZFV-NSHDSACASA-N 316.365 -0.020 30 20 DBED C=CCCN1CCO[C@H](CNC(=O)[C@H]2CCCS2(=O)=O)C1 1035609997 KIOAOYNVGWRUMM-CHWSQXEVSA-N 316.423 -0.043 30 20 DBED C#CCN1CCO[C@H](CNC(=O)c2cccc(C(N)=O)n2)C1 1035615726 ADGJVQVKVUORQZ-LLVKDONJSA-N 302.334 -0.756 30 20 DBED C#CCN1CC[C@H]2CN(C(=O)c3cn(C)c(=O)n3C)CC[C@H]21 1036905285 HEMVHORWFWPGEM-QWHCGFSZSA-N 302.378 -0.107 30 20 DBED N#CCN1[C@H]2CCC[C@H]1CN(C(=O)C[C@@H]1CC(=O)NC1=O)C2 1040025525 JEJFQHXKRLUZPH-SRVKXCTJSA-N 304.350 -0.372 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)c2ccns2)C1 1040044505 HCTOEFFPMLRKBK-RNCFNFMXSA-N 308.363 -0.004 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@]1(O)CCN(C(=O)C(F)F)C1 1040950408 OSMNTBZAFULLAV-ISTVAULSSA-N 318.320 -0.078 30 20 DBED N#Cc1cnccc1N1C[C@@H](O)[C@H](NC(=O)c2cncnc2)C1 1040995487 JYMDQKBHVFEMBV-TZMCWYRMSA-N 310.317 -0.277 30 20 DBED CO[C@H](C)C(=O)N1CCCO[C@@H](CN=c2cc[nH]c(C#N)n2)C1 1041487986 YIGLMODXVASUOI-NEPJUHHUSA-N 319.365 -0.166 30 20 DBED C=CCCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2cn[nH]c2)C1 1041873781 JHNDKFZOZJCFCE-NSHDSACASA-N 322.365 -0.306 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2cnc(C)[nH]2)C1 1042087842 KVMDSTKDTRUCJR-JTQLQIEISA-N 320.349 -0.940 30 20 DBED C#CCNC(=O)CC(=O)N1CC(O)(CNC(=O)[C@@H](C)CCC)C1 1042135556 VTDXNNYBSUDSDD-LBPRGKRZSA-N 323.393 -0.748 30 20 DBED C#CCCN1CC[C@H]2CCN(C(=O)CN3CC(=O)NC3=O)C[C@H]21 1042273657 UYDMCHZTBPVXJF-QWHCGFSZSA-N 318.377 -0.516 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(O)(CNC(=O)CC(C)(C)O)C1 1042826683 BSHACEMHGPOPQP-CQSZACIVSA-N 314.382 -0.836 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042958880 ONPAXCZKQAZXRY-OAHLLOKOSA-N 306.362 -0.584 30 20 DBED Cn1ccc(C(=O)NCC2(O)CN(C(=O)C#CC3CC3)C2)n1 1043119050 SSWRWLHJHOVSMM-UHFFFAOYSA-N 302.334 -0.863 30 20 DBED C#CCN1CC(N(C)C(=O)c2ccccc2OCC(N)=O)C1 1043274243 RZVNQASFEKCWRI-UHFFFAOYSA-N 301.346 -0.060 30 20 DBED Cc1nn(C)cc1CC(=O)NCC1(O)CN(C(=O)[C@H](C)C#N)C1 1043537243 SRYRFKZIDJMDBN-SNVBAGLBSA-N 319.365 -0.880 30 20 DBED C=CCN[C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)[C@@H](C)C1 1044608480 QWEOVVOGWRTDHL-WDEREUQCSA-N 306.370 -0.468 30 20 DBED N#Cc1nccnc1N[C@H]1C[C@@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 1046561737 AVTSQQQEZVZECG-NGZCFLSTSA-N 315.337 -0.664 30 20 DBED C=CCN1CC[C@H](NC[C@@]2(C)CCN(C(=O)CC(N)=O)C2)C1=O 1046886721 IKADSPABVAWBRV-BLLLJJGKSA-N 322.409 -0.523 30 20 DBED N#CCN1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 1046968414 GFPBXKBRWSPEKN-BDAKNGLRSA-N 301.297 -0.735 30 20 DBED O=C(Cc1cnc[nH]1)NCC1(O)CN(C(=O)C#CC2CC2)C1 1047170959 CDCDXDCTKHNCEE-UHFFFAOYSA-N 302.334 -0.945 30 20 DBED CC[C@@H](C(N)=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C#N)[nH]2)C1 1047353879 OBHFFJIOIYTDGE-AVGNSLFASA-N 319.365 -0.733 30 20 DBED C=CCn1cccc1C(=O)N(C)[C@H]1CN([C@H](C)C(N)=O)C[C@@H]1O 1047409415 ULHJZYIGQOAAGT-XBFCOCLRSA-N 320.393 -0.335 30 20 DBED C=CCCOCC(=O)N(C)[C@H]1CN(C(=O)c2cnco2)C[C@@H]1O 1049011206 OUQLBARASRWZHP-RYUDHWBXSA-N 323.349 -0.089 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cc2ncc[nH]2)C1 1049317194 WVKSDQJBZZENBG-RYUDHWBXSA-N 322.365 -0.815 30 20 DBED C=CCN1CCOC[C@H]1CNC(=O)[C@H]1CCc2nnn(C)c2C1 1051088102 TUYDPIXQTYOBTH-QWHCGFSZSA-N 319.409 -0.077 30 20 DBED N#Cc1ccc(N2CC[C@@H](NC(=O)c3cn[nH]c3)[C@@H](O)C2)nn1 1051626770 SZNXJUCKGRAMJQ-NEPJUHHUSA-N 313.321 -0.559 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)[C@H]1C[C@@H](C)CC(=O)N1)CCO2 1053259760 LCNVCBGUWYQHOE-ZIAGYGMSSA-N 319.405 -0.162 30 20 DBED CC(=O)N(C)CC(=O)N[C@]1(CO)CCCN(C(=O)[C@@H](C)C#N)C1 1055784237 PVRRGENCIYSYDZ-XHDPSFHLSA-N 324.381 -0.906 30 20 DBED C[C@H](C#N)C(=O)N[C@@]1(CO)CCCN(C(=O)c2ccncn2)C1 1056096227 GRLRCEFRVVPWOE-ABAIWWIYSA-N 317.349 -0.280 30 20 DBED CN(c1cnc(C#N)cn1)[C@@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 1056910503 WHKSGPHEPKGBFG-MNOVXSKESA-N 316.321 -0.506 30 20 DBED CN(c1ccc2nnnn2n1)[C@H]1CCN(C(=O)C#CC2CC2)C1 1056913888 PPKXXKAGXIZEJG-LBPRGKRZSA-N 311.349 -0.030 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)Cn1nccc1C 1057447046 NSDZCTODQPDCJL-UHFFFAOYSA-N 320.393 -0.068 30 20 DBED Cc1nc(C(=O)NCCN(CCO)C(=O)C#CC2CC2)co1 1057531173 HQQPVVGNCRPVII-UHFFFAOYSA-N 305.334 -0.053 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)COc1cccnc1 1058652604 BBMGFQGYYBAMOC-GFCCVEGCSA-N 320.349 -0.443 30 20 DBED CN(C[C@@H]1CCCN(C(=O)C(N)=O)C1)c1nccnc1C#N 1058702301 NSOBVAIZRWYXLH-JTQLQIEISA-N 302.338 -0.492 30 20 DBED N#Cc1cccnc1N[C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 1059046975 DVCBHZSXSFECFT-WDEREUQCSA-N 300.322 -0.353 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@H](CCNC(=O)CNC(N)=O)C1 1059646826 YCSKHPPZCLKORW-RYUDHWBXSA-N 324.381 -0.952 30 20 DBED N#Cc1cc(C(=O)NCC[C@H]2CCN(C(=O)C(N)=O)C2)c[nH]1 1060271848 XRDBTWROBOVOIN-VIFPVBQESA-N 303.322 -0.660 30 20 DBED C=CCCC(=O)NC[C@@H]1COCCN1C(=O)[C@H]1CCNC(=O)C1 1061406753 LAXHFWGMUVKLKV-QWHCGFSZSA-N 323.393 -0.178 30 20 DBED O=C(C#CC1CC1)N1C[C@@H]2C[C@H]1CN2c1nccn2nnnc12 1062488000 FSCKXOQERSUTBS-RYUDHWBXSA-N 309.333 -0.278 30 20 DBED CN(C(=O)Cn1ncnn1)[C@H]1CCN(c2ccc(C#N)nc2)C1 1062980751 QBDKTMREQGXDGX-ZDUSSCGKSA-N 312.337 -0.323 30 20 DBED Cc1nccc(C(=O)N2CCO[C@H](CNC(=O)[C@@H](C)C#N)C2)n1 1065176065 KWDMTICOKDJEFP-CMPLNLGQSA-N 317.349 -0.098 30 20 DBED Cc1ccn(CC(=O)N2CCO[C@H](CNC(=O)[C@@H](C)C#N)C2)n1 1065630022 NUFQTALLJKDNIM-WCQYABFASA-N 319.365 -0.305 30 20 DBED C[C@@H]1CN(C(=O)Cn2cncn2)C[C@@H]1Nc1cncc(C#N)n1 1067098563 LVGVKDIJYZLFKC-PWSUYJOCSA-N 312.337 -0.101 30 20 DBED N#Cc1nc(=NCC2CC(NC(=O)[C@H]3CCC(=O)N3)C2)cc[nH]1 1067835226 YRUAEABJAODUSK-VQXHTEKXSA-N 314.349 -0.645 30 20 DBED N#Cc1cnc(NCC2CC(NC(=O)[C@@H]3CCNC3=O)C2)cn1 1067876799 ZGCXYAYBHLQXCY-RTYFJBAXSA-N 314.349 -0.209 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2cnns2)C[C@@H]1n1ccnn1 1070148901 CFCZFQXNNLOPKJ-ZJUUUORDSA-N 303.351 -0.582 30 20 DBED C#CCCCCC(=O)N[C@@H]1CCCN(C(=O)CNC(N)=O)C1 1070405542 SUBWPQOBUIMKGR-GFCCVEGCSA-N 308.382 -0.045 30 20 DBED Cc1c(C(=O)N2C[C@@H]3C[C@@H]4CN(CC#N)C[C@]3(C2)O4)nnn1C 1070780479 VRXKIARVWBMPRT-YWPYICTPSA-N 316.365 -0.438 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)c2ccn(C)c2)CC1 1070954997 FPQWMZVPVBJWEX-UHFFFAOYSA-N 302.378 -0.078 30 20 DBED CN(C)C1(C(=O)N2CCC(=O)NCCN(CC#N)CC2)CCC1 1070970808 ZBALXZTWFZURJU-UHFFFAOYSA-N 321.425 -0.355 30 20 DBED CNC(=O)NCCC(=O)N[C@@H]1CCCN(C(=O)[C@H](C)C#N)C1 1071229115 IDZXJWNWCBHSHA-GHMZBOCLSA-N 309.370 -0.428 30 20 DBED CC#CCN1C[C@@H](NC(=O)c2nnc(O)nc2O)CC[C@H]1C 1071651986 LACJJQHFVVNUFK-ZJUUUORDSA-N 305.338 -0.111 30 20 DBED C[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1NC(=O)C1(C(N)=O)CC1 1072039296 PTNVPASAMVZHHG-JQWIXIFHSA-N 303.362 -0.372 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)COCCN(C)C 1072050195 ZFRGOXPQDSJRTO-UKRRQHHQSA-N 321.421 -0.059 30 20 DBED C=CCCOCC(=O)N1CC[C@@H](NC(=O)C(N)=O)C(C)(C)C1 1073479492 OLMZDHDRPGTKPN-LLVKDONJSA-N 311.382 -0.192 30 20 DBED C[C@@H]1CN(C(=O)CCNC(N)=O)CC[C@@H]1NC(=O)C#CC1CC1 1073950004 YNWLYGTUEBNSMK-YPMHNXCESA-N 320.393 -0.189 30 20 DBED Cn1ccc(C(=O)N2CC[C@H]3OCCN(CC#N)[C@H]3C2)cc1=O 1074280095 XWNOMJGDURZMTO-UONOGXRCSA-N 316.361 -0.176 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CCN(C(=O)c2cc[nH]n2)CC1 1074488746 DFPPXLVGXWZELR-SNVBAGLBSA-N 305.338 -0.347 30 20 DBED C[C@H](C#N)C(=O)N1CCC(O)(CNC(=O)c2cncn2C)CC1 1074707407 ZODZJBNKRKDUES-LLVKDONJSA-N 319.365 -0.337 30 20 DBED C=C1CC(C)(C(=O)N2CCC(O)(CNC(=O)C(N)=O)CC2)C1 1074723673 GRQHQKOKMPXYGF-UHFFFAOYSA-N 309.366 -0.702 30 20 DBED C[C@H]1C[C@@H](NC(=O)CNC(N)=O)CCN1C(=O)C#CC1CC1 1074818603 IXQDLBHBLFPYCP-JQWIXIFHSA-N 306.366 -0.436 30 20 DBED C=CCCN1C[C@@H]2CCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)[C@@H]2C1 1076299995 SQNRITXHRJOIRG-SDDRHHMPSA-N 306.366 -0.307 30 20 DBED C=CCn1cccc1C(=O)N[C@@H]1CN([C@@H](CC)C(N)=O)C[C@H]1O 1077139111 XXQOUSQEJLENNK-MBNYWOFBSA-N 320.393 -0.287 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2cn3c(n2)C[C@@H](C)CC3)C1 1077223811 OOQQCZIKYKODOO-OUCADQQQSA-N 302.378 -0.127 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3cncn3C2)C1 1077260585 MLFJPEPUAKJJQB-NWANDNLSSA-N 302.378 -0.370 30 20 DBED C[C@@H](CCNC(=O)c1cn(C)c(=O)cn1)NC(=O)C#CC1CC1 1077766025 NJPAEMNOVIQUCL-NSHDSACASA-N 316.361 -0.182 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCN(C(=O)CCC)C2)C1 1078222968 ZAJPUEGMXQSPAF-RRFJBIMHSA-N 321.421 -0.180 30 20 DBED C#CCO[C@H](C)C(=O)NC1(CO)CCN(C(=O)COC)CC1 1080861265 NAPGNYVSWGDJFT-GFCCVEGCSA-N 312.366 -0.859 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)CSCC#N)C[C@H]1O 1081441230 GCHAVMXJUMIYJI-CHWSQXEVSA-N 323.418 -0.018 30 20 DBED C#CCOCCC(=O)NC[C@H]1CN(C(=O)COCC=C)C[C@H]1O 1081488478 IQYKOMQKXATQNB-UONOGXRCSA-N 324.377 -0.836 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@H](CNC(=O)CC(=O)N(C)C)C1 1081495773 ASVRKNGEAJWROU-OLZOCXBDSA-N 323.393 -0.796 30 20 DBED CNC(=O)NCC(=O)N1CCCC[C@H]1CNC(=O)[C@@H](C)C#N 1082121156 HKZNMPBIWFNZRT-QWRGUYRKSA-N 309.370 -0.428 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CCNC(=O)CC1 1083153791 PQESNUPFMOQOLY-HZSPNIEDSA-N 305.378 -0.553 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)c2coc3c2C(=O)NCCC3)C1 1083657215 MSNYGSXADVHNNK-NEPJUHHUSA-N 319.361 -0.084 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2COCCN2CC(F)F)C1 1083670655 IEKBUMYDKQKSLW-WOPDTQHZSA-N 319.352 -0.700 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)C[C@@H]2CCCS2(=O)=O)C1 1083671667 VXKKYPQXBKJFNA-XQQFMLRXSA-N 316.423 -0.309 30 20 DBED C#CCCN1CC[C@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)[C@H]1C 1088895645 OFQQKNCQIDHIKV-MNOVXSKESA-N 320.349 -0.991 30 20 DBED C#CCN1C[C@@H](NC(=O)Cc2nc[nH]n2)CC2(CCOCC2)C1 1089965157 WDMHWMAFLPCRGI-ZDUSSCGKSA-N 317.393 -0.032 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2cccc3nc(O)[nH]c23)[C@H](O)C1 1090334025 OCTZEKYRXRTNJS-ZYHUDNBSSA-N 315.333 -0.043 30 20 DBED CN(C)c1ccc(C(=O)N[C@@H]2CCN(CC#N)C[C@@H]2O)cn1 1090384203 IMKILUNJTQGZGH-OLZOCXBDSA-N 303.366 -0.164 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CN(c2cnc(F)cn2)C[C@H]1O 1090445828 RSKHCKCVTXPBSU-HBNTYKKESA-N 310.329 -0.128 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)CC3(O)CCC3)C2)nn1 1091097977 VISXEIVYYJYXSA-NEPJUHHUSA-N 317.349 -0.681 30 20 DBED C#CCCCC(=O)NC1[C@@H]2CN(c3nccn4nnnc34)C[C@@H]12 1093255781 DDWVSBMTWGAMAK-GHMZBOCLSA-N 311.349 -0.126 30 20 DBED CC(C)[C@@H](O)C(=O)NC1[C@@H]2CN(c3cncc(C#N)n3)C[C@@H]12 1093261412 VHZOAHXHTHOIQT-JTNHKYCSSA-N 301.350 -0.084 30 20 DBED C[C@@]1(C(=O)NCCNc2cnc(C#N)cn2)CCNC(=O)C1 1094233828 VEXYWKRUEVIVAW-CQSZACIVSA-N 302.338 -0.207 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)c3cc(C)n(C)n3)CC2=O)C1 1094713989 NLFFWBTWFFLLGD-GFCCVEGCSA-N 317.393 -0.071 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)[C@@H]3CCO[C@H]3CC)CC2=O)C1 1094761961 VFHXVSJREFEEPG-YUELXQCFSA-N 319.405 -0.164 30 20 DBED C=CCCN1CC(N2C[C@@H](NC(=O)[C@@H]3[C@H]4COC[C@H]43)CC2=O)C1 1094772283 QAPJEOCFXFYVMC-YYWXWVFPSA-N 319.405 -0.144 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)Cn3ccc(C)n3)CC2=O)C1 1094787468 WQIKPROQVAACJB-CYBMUJFWSA-N 315.377 -0.774 30 20 DBED Cc1n[nH]c(C)c1C(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1 1094798296 VVIVQIIUUYLKAV-LLVKDONJSA-N 316.365 -0.435 30 20 DBED N#Cc1ccc(N2CC[C@@H](NC(=O)CO[C@H]3CCOC3)C2)nn1 1096439388 GVRRSPDIYDRTBD-OLZOCXBDSA-N 317.349 -0.151 30 20 DBED C[C@H](CNC(=O)CC1OCCCO1)N=c1cc[nH]c(C#N)n1 1097773607 HWANXWYOEJOCAR-SNVBAGLBSA-N 305.338 -0.160 30 20 DBED C[C@@H](CNC(=O)C1CS(=O)(=O)C1)Nc1ccc(C#N)nc1 1098071333 UBNVKDYLYVEMJW-VIFPVBQESA-N 308.363 -0.086 30 20 DBED C[C@@H](CNC(=O)C[C@@H]1CCNC1=O)Nc1cnc(C#N)cn1 1098098239 WMNGTPITQCZTCE-UWVGGRQHSA-N 302.338 -0.209 30 20 DBED C[C@H](CNC(=O)[C@H]1CN(C)C[C@@H](C)O1)N=c1cc[nH]c(C#N)n1 1098362908 JWJSOJYURSJVNF-IJLUTSLNSA-N 318.381 -0.594 30 20 DBED C[C@@H](CC(N)=O)C(=O)N1CC[C@H](CN=c2cc[nH]c(C#N)n2)C1 1098568933 VHKPLOGUHRJFQD-WDEREUQCSA-N 316.365 -0.458 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)CCCOC)[C@@H](O)C1 1099704981 TXGWDPUYFHABEN-STQMWFEESA-N 313.398 -0.733 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2ncccc2O)[C@@H](O)C1 1099783200 MICRPMCHPJDCGZ-OCCSQVGLSA-N 319.361 -0.398 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CCN(Cc2nncn2C)C[C@@H]1O 1099821211 REDSWQSQABTTHH-OLZOCXBDSA-N 305.382 -0.474 30 20 DBED C=CCN1CC[C@@H](NC(=O)CNC(=O)c2ccoc2)[C@H](O)C1 1099848238 SYCFXOFHUHUAIP-CHWSQXEVSA-N 307.350 -0.253 30 20 DBED C=CCCCN1CC[C@@H](NC(=O)CN2CCCNC2=O)[C@@H](O)C1 1099903194 BRVXSTYPEFZRLW-KGLIPLIRSA-N 324.425 -0.081 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)C2(COC)CC2)[C@@H](O)C1 1099920758 DSAWWQSGCNWMFT-KGLIPLIRSA-N 310.394 -0.386 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)Cc2cnoc2)[C@@H](O)C1 1099962735 SUXKRUYMYPRBJF-OLZOCXBDSA-N 322.365 -0.929 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)C2(CF)CC2)[C@H](O)C1 1100000770 KUEZPRPCCIULEU-VXGBXAGGSA-N 311.357 -0.963 30 20 DBED C#CCN1CC[C@@H](NC(=O)CNC(=O)c2cccs2)[C@@H](O)C1 1100097011 QCVXVTCMJSQTQL-NEPJUHHUSA-N 321.402 -0.338 30 20 DBED CNC(=O)CCCC(=O)NCC1CC(NCC(=O)NCC#N)C1 1100264855 HOXNOSDYDMCEPE-UHFFFAOYSA-N 323.397 -0.973 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1CC(NCc2nnn(C)n2)C1 1100285554 LWLDUYNQWXHNEJ-MGULZYLOSA-N 308.386 -0.478 30 20 DBED CN(CCNC(=O)C[C@H]1CCCC(=O)N1)c1nccnc1C#N 1100412147 MSSSGEZSYMVRAQ-LLVKDONJSA-N 316.365 -0.041 30 20 DBED CCn1cc(CC(=O)NCCN(C)c2cnc(C#N)cn2)nn1 1100422521 YVKJEIHBDJYESA-UHFFFAOYSA-N 314.353 -0.245 30 20 DBED N#Cc1cnc(N2CC[C@H](CNC(=O)Cn3cncn3)C2)cn1 1100981336 CXUJCCDRBIFRJP-LLVKDONJSA-N 312.337 -0.418 30 20 DBED CS(=O)(=O)CC(=O)NCCN(c1ccnc(C#N)n1)C1CC1 1101301996 SQXLADOWFSJUJG-UHFFFAOYSA-N 323.378 -0.522 30 20 DBED C#CCN1C[C@@H]2CN(C(=O)COCc3ncnn3C)C[C@]2(C)C1 1101413456 OAIXYDMXKSGYDC-CJNGLKHVSA-N 317.393 -0.255 30 20 DBED CC[C@H](CNC(=O)c1cnnc(O)c1)N=c1cc[nH]c(C#N)n1 1103226782 PIOBZKNWHZUHGG-SNVBAGLBSA-N 313.321 -0.114 30 20 DBED CC[C@H](CNC(=O)C1(C(N)=O)CC1)Nc1nccnc1C#N 1103281569 MQWSKLGLZGUZLD-SECBINFHSA-N 302.338 -0.080 30 20 DBED CCn1cnc2c(NC[C@@H](O)CNC(=O)[C@@H](C)C#N)ncnc21 1105773505 IQJFMSNOUJUFQP-VHSXEESVSA-N 317.353 -0.105 30 20 DBED Cc1cn(C)nc1C(=O)NC[C@@H](O)CN=c1cc[nH]cc1C#N 1105818793 QAVOQLAZWLKCSS-LBPRGKRZSA-N 314.349 -0.380 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)CNS(=O)(=O)CC)C[C@H]1C 1106203903 XMFMQVBQAZKNAI-CHWSQXEVSA-N 315.439 -0.367 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)c1cn(CC)nn1 1106826915 WLLMPFCBDZIUTK-UHFFFAOYSA-N 314.353 -0.044 30 20 DBED N#Cc1cnc(NC/C=C/CNC(=O)CN2CCOCC2)cn1 1107133642 KQKZJUNEEJJIFN-OWOJBTEDSA-N 316.365 -0.235 30 20 DBED C[C@H](CNc1cnc(C#N)cn1)NC(=O)[C@H]1CCC(=O)N1C 1108060586 GZMILVKHURMEHQ-MWLCHTKSSA-N 302.338 -0.114 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)CN1CCOCC1 1108319192 ZWJRVSAXGMLRQW-NSHDSACASA-N 304.354 -0.981 30 20 DBED C=CCN1CCO[C@](C)(CNC(=O)CN2C(=O)CCC2=O)C1 1108386519 FPDHKQBKHRDMFV-OAHLLOKOSA-N 309.366 -0.472 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)[C@@H](C)OCCOC)CC2=O)C1 1108580392 LWVNPDCDRFFKBF-OLZOCXBDSA-N 323.393 -0.928 30 20 DBED COC[C@@H](C)CC(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1 1108583764 RTXFYEIFVBEFNA-NWDGAFQWSA-N 308.382 -0.416 30 20 DBED C[C@@H](N=c1cc[nH]c(C#N)n1)[C@@H]1CCN(C(=O)CNC(N)=O)C1 1111206211 WMBGXRNVQPZXKG-NXEZZACHSA-N 317.353 -0.913 30 20 DBED Cc1cc(C#N)nc(NCCN(CCO)C(=O)[C@H]2CCOC2)n1 1111445384 ATCZJGGYBXFFFG-LBPRGKRZSA-N 319.365 -0.074 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(c2ccc(C)nn2)C[C@H]1O 1112737863 JHHAGERLMCCNCF-ZIAGYGMSSA-N 318.377 -0.262 30 20 DBED C[C@H](Nc1nccnc1C#N)[C@@H](C)NC(=O)Cn1cnnn1 1112905140 IWKGBFFCZZCYSG-BDAKNGLRSA-N 301.314 -0.660 30 20 DBED C[C@@H](N=c1cc[nH]c(C#N)n1)[C@@H](C)NC(=O)CCc1cnn[nH]1 1113308557 FNXQWMVMSGROKK-NXEZZACHSA-N 314.353 -0.174 30 20 DBED CN(CC(C)(C)CN=c1cc[nH]c(C#N)n1)C(=O)CNC(N)=O 1113397198 KQGMWARSQJZJCM-UHFFFAOYSA-N 319.369 -0.665 30 20 DBED C[C@H](CC(N)=O)C(=O)NC[C@@H](C)N(C)c1nccnc1C#N 1113800227 YFBIZTXIVFSFHG-NXEZZACHSA-N 304.354 -0.199 30 20 DBED CC(C)COCCC(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1113931338 BBPONEHBSKJGPG-VIKVFOODSA-N 322.409 -0.265 30 20 DBED CNC(=O)CC(=O)N[C@H]1CN(c2cncc(C#N)n2)CC[C@H]1C 1114010542 BJBQRLQWLJKBJZ-PWSUYJOCSA-N 316.365 -0.185 30 20 DBED N#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)CC[C@@H]3CCOC3)[C@H]2C1 1114134137 JGBHABIQGDWGIO-FOCJUVANSA-N 320.393 -0.511 30 20 DBED COC1(CC(=O)N[C@H]2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]32)CCC1 1114197283 WHDHMROMTIFHIT-JYAVWHMHSA-N 320.393 -0.368 30 20 DBED N#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@@H](F)C(F)(F)F)[C@H]2C1 1114308252 CQUAEANMZNLTQG-GOZTYBTRSA-N 322.262 -0.427 30 20 DBED CN(CCOCCNC(=O)[C@H]1CCOC1)c1cnc(C#N)cn1 1115180175 HPYJKJHJHMJQQN-LBPRGKRZSA-N 319.365 -0.046 30 20 DBED CN(CCOCCNC(=O)c1cnon1)c1cncc(C#N)n1 1115219572 BIURAKUOKQCFNJ-UHFFFAOYSA-N 317.309 -0.386 30 20 DBED Cc1cc(C#N)nc(N[C@@H](C)CN(C)C(=O)Cn2cnnn2)n1 1115606096 VQCMXZHIXBYIAG-JTQLQIEISA-N 315.341 -0.398 30 20 DBED C[C@H](CN(C)C(=O)[C@H]1CN(C)CCO1)Nc1cnc(C#N)cn1 1115664575 UBVWLRDMWKSZAR-DGCLKSJQSA-N 318.381 -0.062 30 20 DBED N#CCNC(=O)CNC(=O)NCCc1nnc2n1CCCCC2 1117469615 NLUNEMCCNZXGKM-UHFFFAOYSA-N 319.369 -0.514 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1C[C@H](C)O[C@H](C)C1 1117587515 WHZLKYHWNCIKDP-PHIMTYICSA-N 318.395 -0.661 30 20 DBED COc1ccc(CNC(=O)C(=O)Nc2ncn(C)n2)cc1C#N 1119379461 BJZHEHGSPOXCOU-UHFFFAOYSA-N 314.305 -0.050 30 20 DBED C[C@H]1COCCN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1 1120463611 NJFHVSILAZJKJA-TZMCWYRMSA-N 320.393 -0.320 30 20 DBED Cc1cc(=N[C@@H](C)CN(C)C(=O)[C@@H]2CNC(=O)N2)c(C#N)c[nH]1 1120632831 DLFSYTSEMDNJMZ-GWCFXTLKSA-N 316.365 -0.376 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)C2=COCCO2)cn1 1121003169 DSMCHDULENWYRE-LBPRGKRZSA-N 304.306 -0.270 30 20 DBED C[C@@H](C(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1)n1cccn1 1121213012 LKDWERFAINQJIL-WDEREUQCSA-N 315.337 -0.883 30 20 DBED COCCc1nsc(N[C@H](CO)CNC(=O)[C@@H](C)C#N)n1 1121214162 XSXWRTRTLALMGU-IUCAKERBSA-N 313.383 -0.224 30 20 DBED N#Cc1nccnc1N[C@@H](CO)CNC(=O)C[C@H]1COC(=O)C1 1121302581 FGLDZIIMOPVXJC-NXEZZACHSA-N 319.321 -0.810 30 20 DBED C[C@H](C(=O)NC[C@H](CO)Nc1ccc(C#N)cn1)n1cncn1 1121345658 BYXJJVWBGZCHQZ-ZYHUDNBSSA-N 315.337 -0.305 30 20 DBED CN(C)[C@H](C(=O)NC[C@@H](CO)Nc1cncc(C#N)n1)C1CC1 1122152038 CMZHTVYLTNLKBE-JSGCOSHPSA-N 318.381 -0.423 30 20 DBED CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)CSCC#N 1123787370 NHYDHDWYOKQXNS-VIFPVBQESA-N 315.399 -0.817 30 20 DBED C#CCCCC(=O)N(C)C[C@H](O)CNc1nccn2nnnc12 1124279332 YIWTZZGPMNCKMY-LLVKDONJSA-N 317.353 -0.446 30 20 DBED CN(C[C@H](O)CNc1ccc(C#N)nc1)C(=O)CCNC(N)=O 1124370042 OSUOEHDSGHJXJJ-GFCCVEGCSA-N 320.353 -0.757 30 20 DBED C=CCOCC(=O)NCCNCC(=O)N1C[C@@H](C)O[C@H](C)C1 1124772777 IVXYCDVNSULBDC-CHWSQXEVSA-N 313.398 -0.469 30 20 DBED C[C@H](C#N)C(=O)N(C)C[C@H](O)CN(C)c1ccc(C#N)nn1 1124988336 IWOXMXXQCCWUQQ-ZYHUDNBSSA-N 302.338 -0.237 30 20 DBED C#CCNC(=O)CC(=O)NCCNCc1noc(C(C)C)n1 1125978050 KLOXPMXPMYUYDH-UHFFFAOYSA-N 307.354 -0.462 30 20 DBED Cn1c(CNCCNC(=O)C#CC(C)(C)C)cc(=O)n(C)c1=O 1126908032 ZSLWGGMVUDAEDT-UHFFFAOYSA-N 320.393 -0.661 30 20 DBED C#CCN1CCn2ncc(CNC(=O)CCNC(N)=O)c2C1 1128571089 GZZRDZQVVLCPKF-UHFFFAOYSA-N 304.354 -0.994 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@@H]1CCCc2nccn21 1129418251 SXDQDFLNPSSNCE-LBPRGKRZSA-N 303.366 -0.784 30 20 DBED C#CCCN[C@@H]1CN(C(=O)[C@H](C)OCC#C)C[C@@H]1n1ccnn1 1129829602 KDANFDVBQASOMJ-ZNMIVQPWSA-N 315.377 -0.319 30 20 DBED C#CCN[C@@H]1CN(C(=O)CCCCC(N)=O)C[C@@H]1n1ccnn1 1130079618 SPOGLBVKBRSUJV-OLZOCXBDSA-N 318.381 -0.702 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)c2cc(OCC)n[nH]2)C1=O 1130109433 NRSXIHLZTWDTAN-NSHDSACASA-N 321.381 -0.085 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)c1ccc2nnnn2c1 1131284452 FGICHEHSIBTVRO-JTQLQIEISA-N 317.353 -0.866 30 20 DBED C=C[C@](C)(CCOC)C(=O)NCCN[C@H]1CCC(=O)NC1=O 1131870660 WYXHRDHSKAGUKI-XHDPSFHLSA-N 311.382 -0.274 30 20 DBED C=C(C)CN1C[C@@H](NC(=O)CNC(=O)CNC(C)=O)CC[C@@H]1C 1132131772 JIVRQORIJRITRX-JSGCOSHPSA-N 324.425 -0.216 30 20 DBED CC#CCNC[C@H]1CN(C(=O)CN2CC(=O)NC2=O)CC[C@H]1C 1133173912 IQQPROSRRZNLPS-OLZOCXBDSA-N 320.393 -0.364 30 20 DBED C=CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)CNC(=O)OC 1133790083 NWFYLWNGNOGBOG-MNOVXSKESA-N 314.386 -0.483 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)C[C@H](C)NCc1ncnn1C 1134130679 LGZCSDJYMOMNFH-NWDGAFQWSA-N 320.397 -0.673 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1ccc(F)c(OC)c1 1134178787 QPRRRTWMNAHSMG-UHFFFAOYSA-N 307.325 -0.097 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)[C@H]1CC12CC2 1134324094 UFMVBQCCYPVQLI-WDEREUQCSA-N 308.382 -0.107 30 20 DBED C[C@H](C[C@@H](C)NC(=O)CCCn1c(O)nnc1O)NCC#N 1134782482 GHRYDDAJVHVVPN-NXEZZACHSA-N 310.358 -0.134 30 20 DBED CC#CCN[C@@H](C)C[C@H](C)NC(=O)c1cc(=O)n2[nH]cnc2n1 1135923855 ODVXUSVCQNCZIN-QWRGUYRKSA-N 316.365 -0.073 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)c1cn(CC2CC2)nn1 1135972816 JMLLAVGEQIXEAQ-NSHDSACASA-N 320.397 -0.302 30 20 DBED CCOc1nc(C)ccc1C(=O)NCCNCC(=O)NCC#N 1146215235 GJSKUYWTCFDYOZ-UHFFFAOYSA-N 319.365 -0.252 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(CCn2cncn2)CCCO1 1149383110 AAXACHLRZLJIMW-CQSZACIVSA-N 323.397 -0.312 30 20 DBED C=CCO[C@@H](C)C(=O)NCCNCCCNS(=O)(=O)CC 1153134165 AIQLPDYQFUCZCI-LBPRGKRZSA-N 321.443 -0.387 30 20 DBED CCN(CC#N)[C@H](C)CNC(=O)CCCn1c(O)nnc1O 1154083270 OOOMIZQMSONNBC-SNVBAGLBSA-N 310.358 -0.180 30 20 DBED C#CCCCCC(=O)NCCCNCC(=O)N1CCNC(=O)C1 1156811610 GYRUHRHHSBKESX-UHFFFAOYSA-N 322.409 -0.766 30 20 DBED C#CCNC(=O)CNCCCNC(=O)CNC(=O)C1CCCC1 1158625448 YCFXBWXBLPPFQT-UHFFFAOYSA-N 322.409 -0.862 30 20 DBED C=CCN1CC=C(CCNC(=O)Cn2ncn(C)c2=O)CC1 1160552795 ZICDTRZYISUDAE-UHFFFAOYSA-N 305.382 -0.094 30 20 DBED Cc1cc(COCC(=O)NCCCNCC(=O)NCC#N)no1 1160724402 NAMKPCDQHCTQSO-UHFFFAOYSA-N 323.353 -0.765 30 20 DBED C=CCCn1cc(C(=O)NCCCN[C@@H]2CCN(C)C2=O)nn1 1167999456 YIZJVWLNWQICNK-GFCCVEGCSA-N 320.397 -0.206 30 20 DBED C=CCNC(=O)CNCCCNC(=O)C(=O)N1CC[C@@H](C)C1 1170653062 OLFCSWARUVWDBL-GFCCVEGCSA-N 310.398 -0.747 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)CNC(=O)C3CC3)C[C@@H]21 1176923025 FQGHRPXNDUKQBQ-UONOGXRCSA-N 305.378 -0.553 30 20 DBED Cc1cc(C(=O)N2CC[C@H](NCC(=O)NCC#N)[C@@H]2C)cnn1 1178555429 NRIDODWXIUJYLL-AAEUAGOBSA-N 316.365 -0.383 30 20 DBED C#CCNCCCCCCNC(=O)[C@@H]1CCS(=O)(=O)N1 1180289406 CJSHCKTUFAXMFL-LBPRGKRZSA-N 301.412 -0.423 30 20 DBED Cc1ncc(CC(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)o1 1183223031 ZEBKUVGGDZTOPY-LLVKDONJSA-N 305.338 -0.644 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@H]2CN(Cc3cn(C)nn3)C[C@H]21 1187881890 GRIRANAHSKLGMT-VNHYZAJKSA-N 317.393 -0.114 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)c2cc(CC)[nH]n2)C1 1191114732 ZADFTUFPSSYOBC-ZIAGYGMSSA-N 308.382 -0.050 30 20 DBED Cc1cc(C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@H]2O)oc1C 1192206288 QUWKOQLHEFUVKS-VXGBXAGGSA-N 320.349 -0.689 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)c2ccnc(C)c2)C1 1197057688 FZWWQLYQGOTKGU-HUUCEWRRSA-N 303.362 -0.185 30 20 DBED C=CCOCC(=O)N1CCCO[C@H](CNC[C@@H](O)COC)C1 1200109434 SSWYEBNTSNBCSE-ZIAGYGMSSA-N 316.398 -0.597 30 20 DBED C#CCCNC[C@H]1CN(C(=O)CCS(C)(=O)=O)CCCO1 1200824275 KIUHBWQGSAUEAR-ZDUSSCGKSA-N 316.423 -0.349 30 20 DBED N#CCNC[C@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)C2)CCCO1 1200912180 QMQWOMKFUDDFBV-NEPJUHHUSA-N 315.395 -0.848 30 20 DBED C#CCN[C@@H]1C[C@H](NC(=O)CCS(=O)(=O)NC)C12CCC2 1202927879 BDVBEHZQAHMTEW-NEPJUHHUSA-N 313.423 -0.424 30 20 DBED CNS(=O)(=O)CCC(=O)N[C@H]1C[C@H](NCC#N)C12CCC2 1202930421 UVPHAODHRCXDCK-QWRGUYRKSA-N 314.411 -0.534 30 20 DBED COCC(=O)N(C)CC(=O)N[C@H]1C[C@H](NCC#N)C12CCC2 1203004287 GVJCJYBDVXWHBU-RYUDHWBXSA-N 308.382 -0.368 30 20 DBED CNS(=O)(=O)CC(=O)N[C@@H]1C[C@H](NCC#N)C12CCC2 1203742409 NFBFNICTLWUPTQ-VHSXEESVSA-N 300.384 -0.924 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)CCC(=O)NCC)C1 1207660778 OIZVDHBCMVLGJE-CYBMUJFWSA-N 324.425 -0.215 30 20 DBED N#Cc1ccc(C(=O)N2CCC[C@@H](NCC(=O)NC(N)=O)C2)[nH]1 1207820789 SPGNGNLDIFUKEO-SNVBAGLBSA-N 318.337 -0.725 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)[C@@H](COC)OC)C1 1209544722 XJAFIGLGNLJOLE-QWHCGFSZSA-N 313.398 -0.469 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCCN(C(=O)c2ccncn2)C1 1210208848 WAGQCMQRWSBXLO-STQMWFEESA-N 315.377 -0.191 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)c2cc[nH]n2)[C@H](OC)C1 1211890932 BQRASARLQXAVDO-VXGBXAGGSA-N 307.354 -0.859 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(Cc2nccn2C)C[C@H]1OC 1212029705 CJHPUBNWSOFQSQ-CHWSQXEVSA-N 308.382 -0.062 30 20 DBED CC#CCCCC(=O)N[C@@H]1CN(Cc2nnn(C)n2)C[C@H]1OC 1213303481 NIRPBXFYNZDAJA-CHWSQXEVSA-N 320.397 -0.281 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)c2ccnnc2)C[C@H]1C 1215655422 NJGMKVVEVLQTOQ-DGCLKSJQSA-N 301.350 -0.724 30 20 DBED COCC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CCCOC1 1217488408 WQANZBWBMVAQSW-HRCADAONSA-N 322.405 -0.026 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)C#CC(C)C 1217844377 UWGSXZBYOWAILW-LSDHHAIUSA-N 319.405 -0.140 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2ccoc2CC)C1 1219556613 ZBLCAFUHJSLPON-OLZOCXBDSA-N 321.377 -0.081 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC(NC(=O)[C@H]2CCCO2)CC1 1225938331 WHQLTKRKQVEKQE-TZMCWYRMSA-N 307.394 -0.116 30 20 DBED C=CCN1CC[C@H](N2CCC(NC(=O)CC(=O)NC)CC2)C1=O 1227030704 ROQALRNOQVVNQU-ZDUSSCGKSA-N 322.409 -0.510 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)[C@H]2C[C@H](C)CO2)CC1 1228360940 LYGYHIOTDGWEIY-GXTWGEPZSA-N 307.394 -0.259 30 20 DBED COc1cc(C(=O)N(C)C[C@@H]2CCN2CC(=O)NCC#N)on1 1233740217 DYNVVISJJPLPKF-JTQLQIEISA-N 321.337 -0.531 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC[C@@H]1CN(C)C(=O)CC(=O)NC 1233857153 OUVHDGHQNAFNMO-VXGBXAGGSA-N 310.398 -0.654 30 20 DBED COCCN(C)CCNC(=O)C(=O)NCc1ccc(C#N)cc1 1257580228 BHTVOCQHTSIOCH-UHFFFAOYSA-N 318.377 -0.131 30 20 DBED C=CCOCCNC(=O)C(=O)N(C)CC(C)(C)S(C)(=O)=O 1261893650 XRCNGJVQTAYQOD-UHFFFAOYSA-N 320.411 -0.413 30 20 DBED CC(C)[C@](C)(C#N)NC(=O)COC(=O)CN1CCC(=O)NC1=O 1318572290 FIMAGVMMQRHDFF-AWEZNQCLSA-N 324.337 -0.474 30 20 DBED CN1CC[C@H](OC(=O)CCN/C(O)=C2\N=CC=CC2=O)C1=O 1318679590 WPKXQIYVAHWIOT-ZFEMDRMUSA-N 307.306 -0.323 30 20 DBED Cc1nn(-c2cncc3nnnn23)c(C)c1CC(=O)NCC#N 1319400808 UPXSCHUKZFZEJM-UHFFFAOYSA-N 311.309 -0.496 30 20 DBED C#CCC[C@@H](O)CNC(=O)Cc1c(C)[nH]c2ccnn2c1=O 1321652106 DBTPUMCQRHNDRO-LLVKDONJSA-N 302.334 -0.236 30 20 DBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H]1CCN(C)C1=O 1324167429 QFJNSVHWBSENDT-TUAOUCFPSA-N 309.366 -0.569 30 20 DBED C#CC1CCN(C(=O)C(=O)N2CCN3C(=O)NC[C@H]3C2)CC1 1326263220 GDYTYMSTHULJGP-LBPRGKRZSA-N 304.350 -0.906 30 20 DBED C#CCC[C@H](O)CNC(=O)C(=O)Nc1cccc(C(=O)OC)n1 1326516612 WSQDPELXVOQHNS-JTQLQIEISA-N 319.317 -0.303 30 20 DBED C#C[C@@H](NC(=O)C(=O)Nc1ccn(CC(=O)N(C)C)n1)C(C)C 1327029849 OQMCFHUXZIUBIG-LLVKDONJSA-N 319.365 -0.316 30 20 DBED C=C(C)COCCNC(=O)C(=O)NCCCS(C)(=O)=O 1327746563 FFRYYUBRKABOPD-UHFFFAOYSA-N 306.384 -0.754 30 20 DBED C=C[C@@H]1CCCCN1C(=O)C(=O)N1C[C@H](O)C[C@@H](C(=O)OC)C1 1329452861 FUBYKSXJXTXGGE-JHJVBQTASA-N 324.377 -0.064 30 20 DBED COCCN1CCN(C(=O)C(=O)N2CCC[C@@H](CC#N)C2)CC1 1329616327 WPQCXKSNJWTBLU-AWEZNQCLSA-N 322.409 -0.071 30 20 DBED COCC#CC(=O)N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1331185461 BXCQEUHTWSWCEX-LBPRGKRZSA-N 302.396 -0.234 30 20 DBED C=C(CO)C(=O)N1[C@H](C)SC[C@@H]1C(=O)NCCC(=O)OC 1331644800 OQPDNHMBSRHQEI-VHSXEESVSA-N 316.379 -0.496 30 20 DBED C#CCNC(=O)C1CCN(C[C@H](O)C[C@@]2(O)CCOC2)CC1 1333263438 FTTMUDDOPCUHCT-ZBFHGGJFSA-N 310.394 -0.650 30 20 DBED C=CCn1c(C2CC(O)C2)nnc1N1CCS(=O)(=O)CC1 1338990207 UFDJSHKJPSMZDO-UHFFFAOYSA-N 312.395 -0.063 30 20 DBED CN(C)[C@H]1CCC[C@H](NC(=O)Cn2cc(C#N)c(O)nc2=O)C1 1362337526 RMNRYQQEDBXAMA-RYUDHWBXSA-N 319.365 -0.190 30 20 DBED C[C@H]1[C@H](CO)CCCN1C(=O)Cn1cc(C#N)c(O)nc1=O 1362728756 LYAZKDHQLCQDML-UWVGGRQHSA-N 306.322 -0.560 30 20 DBED N#CCCN(CCC#N)C(=O)CN1CCOC[C@H]1CC(N)=O 1365309469 DORLDSBOOOOSRG-GFCCVEGCSA-N 307.354 -0.781 30 20 DBED Cc1ncc(C(=O)NCCN2CCN(C(=O)[C@H](C)C#N)CC2)[nH]1 1372205294 CCPNQWTXSZXJSP-LLVKDONJSA-N 318.381 -0.248 30 20 DBED CCO[C@H](C)C(=O)NCCN1CCN(C(=O)[C@H](C)C#N)CC1 1372207470 JOSQATUNWPKRGM-CHWSQXEVSA-N 310.398 -0.169 30 20 DBED CCN(CCNC(=O)c1cc(C#N)c[nH]1)CCN1CCNC1=O 1377293194 AABXWISRVNAMGJ-UHFFFAOYSA-N 318.381 -0.037 30 20 DBED C[C@H](C#N)C(=O)N(C)CCN(C)C(=O)COCc1nncn1C 1389012336 DMHHGVLTRBRLTF-LLVKDONJSA-N 322.369 -0.592 30 20 DBED C=C(Cl)CNC1(CNC(=O)Cn2ccc(O)nc2=O)CC1 1401951586 UDCSKOFLHQFAKZ-UHFFFAOYSA-N 312.757 -0.060 30 20 DBED CNC(=O)NC(=O)[C@@H](C)N1CCC(C)(NC(=O)[C@@H](C)C#N)CC1 1402078461 OWEQMHFMAMSTIU-WDEREUQCSA-N 323.397 -0.039 30 20 DBED CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)Cc1noc(C)c1C#N 1412541539 JFHAHYVGXXJLQT-LBPRGKRZSA-N 316.321 -0.406 30 20 DBED CCCS(=O)(=O)CC(=O)N1CC(NC(=O)[C@H](C)C#N)C1 1416048040 WHFJIBWNFUYYPN-SECBINFHSA-N 301.368 -0.702 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(N(C)[C@H](C)C(=O)NC(N)=O)CC1 1422932393 MSUXUQLTOGEYHL-VHSXEESVSA-N 309.370 -0.348 30 20 DBED CCNC(=O)CCC(=O)N[C@H]1[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]21 1430338618 YQIPWBIHRVYRAP-PUHVVEEASA-N 306.366 -0.365 30 20 DBED CC(=O)N1CC[C@@](C)(C(=O)N2CC(CNC(=O)[C@H](C)C#N)C2)C1 1430429072 DPGWAIZWWVWDPT-BDJLRTHQSA-N 320.393 -0.021 30 20 DBED CC[C@@H](NC(=O)Cn1cc(C#N)c(O)nc1=O)[C@H](O)C(C)C 1434090151 HNXFGGURZTYNTF-ZYHUDNBSSA-N 308.338 -0.268 30 20 DBED CCN(CCNC(=O)[C@H](C)C#N)C(=O)c1ccn2nnnc2c1 1449502244 BNUKXAKSNKUILH-SNVBAGLBSA-N 315.337 -0.138 30 20 DBED C[C@H](NC(=O)Cn1cc(C#N)c(O)nc1=O)c1csnn1 1451652878 IHOMCFIGDANUJK-LURJTMIESA-N 306.307 -0.451 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1C[C@@H](NC(=O)CCN2CCOCC2)C1 1452982363 YTLFVZWVHCXMNH-MELADBBJSA-N 322.409 -0.121 30 20 DBED CCN(CCNC(=O)[C@@H](C)C#N)C(=O)CCN1CCOCC1 1455657861 PANHHAFBKQBUDK-ZDUSSCGKSA-N 310.398 -0.167 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCN1CCN(C(=O)[C@@H]2CCOC2)CC1 1497858418 PSBLMYAJOIXFCZ-UONOGXRCSA-N 322.409 -0.215 30 20 DBED CN(CCNC(=O)CO[C@@H]1CCOC1)C(=O)c1cc(C#N)c[nH]1 1528139560 SFFJTSWGHPJFKC-GFCCVEGCSA-N 320.349 -0.120 30 20 DBED C[C@H](C#N)C(=O)NC1CN(C(=O)c2cccn3c(O)nnc23)C1 1530617294 QQWDYTYZZGCVQI-MRVPVSSYSA-N 314.305 -0.465 30 20 DBED CC(C)S(=O)(=O)CCNc1cnc(C#N)c(-c2nn[nH]n2)n1 1574345491 KRNWRJJIDLVJNB-UHFFFAOYSA-N 322.354 -0.237 30 20 DBED C#CCN(C(=O)NCCCCS(N)(=O)=O)C1CCNCC1 1574590589 FVDRFAKUCFJKFL-UHFFFAOYSA-N 316.427 -0.548 30 20 DBED C[C@@H](C#N)C(=O)NCC[C@@H](C)NCC(=O)NCc1cnn[nH]1 1575529192 HUFZBMIQWYEVKB-VHSXEESVSA-N 307.358 -0.935 30 20 DBED C#CCN(CC(=O)O)C(=O)C(=O)Nc1cnn(CC(F)F)c1 1588397953 ZRMUZTVINFDJFZ-UHFFFAOYSA-N 314.248 -0.367 30 20 DBED C#CCN(CC(=O)O)C(=O)N[C@@H]1CCN(C2CCOCC2)C1=O 1588409619 HTZPHWAWRJBYRO-GFCCVEGCSA-N 323.349 -0.504 30 20 DBED C#CCN(CC(=O)O)C(=O)c1ccc(=O)n(CCCOC)n1 1588416453 ORRAWIRJHXCRRQ-UHFFFAOYSA-N 307.306 -0.560 30 20 DBED C=C(CCC(=O)OC)C(=O)N[C@@H](CC1OCCO1)C(=O)O 1588632835 BLYNNBXRLHJMNG-VIFPVBQESA-N 301.295 -0.172 30 20 DBED CC#CC[C@H](CO)NC(=O)NCc1nc(-c2nn[nH]n2)cs1 1588737495 FRHBXJXBZRAASV-MRVPVSSYSA-N 321.366 -0.103 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)[C@H]1C[C@H]1C(=O)O 1590926920 LQUJWOZDPXEVAB-NWDGAFQWSA-N 310.350 -0.696 30 20 DBED CN1CCC(C#N)(NC(=O)c2ccc(-c3nn[nH]n3)n2C)CC1 1591173169 ZEIJDEDJKDWBNI-UHFFFAOYSA-N 314.353 -0.077 30 20 DBED N#CC[C@@H](O)CN1CCN(c2cc(-c3nn[nH]n3)ccn2)CC1 1592682284 TZGNGFJOQUIYRZ-GFCCVEGCSA-N 314.353 -0.342 30 20 DBED C=CC[C@@H](CO)NC(=O)N[C@@H]1CCCCN(CC(=O)O)C1=O 1602718466 NHUXFBTVAJHYON-WDEREUQCSA-N 313.354 -0.312 30 20 DBED C[C@H](C#N)C(=O)NCCN(C)c1nccnc1-c1nn[nH]n1 1602983000 DIPZKMFCTZMQJR-MRVPVSSYSA-N 301.314 -0.631 30 20 DBED COC(=O)[C@H]1C[C@@H](Nc2cnc(-c3nn[nH]n3)c(C#N)n2)C1 1604962730 VYNFMFGYULIVGB-KNVOCYPGSA-N 300.282 -0.108 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)N2C[C@@H](C(=O)O)[C@H](C3CC3)C2)CCO1 1605583386 SHGSZVPZZYZILC-SDDRHHMPSA-N 321.333 -0.693 30 20 DBED C=C[C@](C)(CCOC)C(=O)NCCn1cnc(-c2nn[nH]n2)n1 1609052095 KXOPATUNVQULKW-CYBMUJFWSA-N 320.357 -0.197 30 20 DBED N#Cc1ncn(CC(=O)NCc2cc(=O)n3ccccc3n2)n1 1631867674 MYNUOXQZHFOUOL-UHFFFAOYSA-N 309.289 -0.526 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@H](NC[C@H](O)COC)C2)cn1 1690255679 UBHQFYQXIQVNCX-GJZGRUSLSA-N 303.362 -0.126 30 20 DBED C=CCNC(=O)CN[C@H]1C[C@H](NC(=O)[C@@H]2CC(=O)N(CC)C2)C1 1752634523 NJJLZRPPBLZONH-JHJVBQTASA-N 322.409 -0.606 30 20 DBED C=CCCN[C@H](C)CNC(=O)CN1CCS(=O)(=O)CC1 1752917170 GXZJZHKHZFZPME-GFCCVEGCSA-N 303.428 -0.613 30 20 DBED C#CCCN(C)[C@@H]1CCCN(C(=O)C[C@H]2CC(=O)NC2=O)C1 1753001033 RPEVQJCZJACWME-CHWSQXEVSA-N 305.378 -0.015 30 20 DBED COCC#CCN(C)CCNC(=O)c1ccn(CCOC)n1 1753054449 OTBMKLSZQCHGEA-UHFFFAOYSA-N 308.382 -0.159 30 20 DBED C#CCN1CC[C@H](CNC(=O)CCc2nnc(O)nc2O)C1 1753129119 KGYISJMRRZUMQN-SNVBAGLBSA-N 305.338 -0.713 30 20 DBED CC(C)(C)OCC(=O)N1C[C@@H]2C[C@H]1CN2CC(=O)NCC#N 1753420130 MDIDZDDEVZGPDS-RYUDHWBXSA-N 308.382 -0.274 30 20 DBED CC[C@H](CNC(=O)CSCC#N)N[C@@H]1CCC(=O)NC1=O 1753466544 KXAOCUGVMYBCHQ-NXEZZACHSA-N 312.395 -0.467 30 20 DBED C#CCNC(=O)CNC[C@H](C)CNC(=O)Cc1cncn1C 1753638277 RFVPCHVMJPULGO-LBPRGKRZSA-N 305.382 -0.946 30 20 DBED C#CCNC(=O)CNC[C@H](C)CNC(=O)C12CCN(CC1)C2 1753638513 UKKMZJGWVXYBRF-ZDUSSCGKSA-N 306.410 -0.827 30 20 DBED COCC#CCNC[C@@H](C)N(C)C(=O)c1ccc(C(N)=O)cn1 1753728062 OUAQCCOQTGUBAW-GFCCVEGCSA-N 318.377 -0.120 30 20 DBED C#CCN[C@H]1CCN(C(=O)CCNS(C)(=O)=O)C[C@H]1C 1753755812 WLIKQPFKLKMNIW-NEPJUHHUSA-N 301.412 -0.615 30 20 DBED C#CCCN[C@H]1CCN(C(=O)CCNC(=O)COC)C[C@@H]1C 1753755856 WXXNOTMZDKYNBF-KBPBESRZSA-N 309.410 -0.011 30 20 DBED C#CCNC(=O)CNC[C@@H](C)NC(=O)CCN1CCCCC1 1754254680 LEZXUTOWORSSFK-CQSZACIVSA-N 308.426 -0.294 30 20 DBED C=CCNC(=O)[C@H](C)N(C)C[C@@H](C)NC(=O)Cc1nc[nH]n1 1754331882 XMKUAGSEPRGIJU-MNOVXSKESA-N 308.386 -0.526 30 20 DBED C#CCNC(=O)[C@@H](C)NC1(CNC(=O)c2snnc2C)CC1 1754508199 QVGXMKVJHHFXSF-SNVBAGLBSA-N 321.406 -0.164 30 20 DBED C#CCOCCC(=O)NC[C@@]1(O)CCN(Cc2ccon2)C1 1754751015 CVJAPTGVSHPBQG-HNNXBMFYSA-N 307.350 -0.233 30 20 DBED COCC#CCNC[C@H]1CN(C(=O)CCn2cncn2)CCO1 1754996479 YNHLOROMWKBUTL-AWEZNQCLSA-N 321.381 -0.865 30 20 DBED C#CCNC(=O)[C@@H](C)NCC1CC(NC(=O)c2cccnn2)C1 1755219508 VHGPQIJATFNTFR-PNESKVBLSA-N 315.377 -0.288 30 20 DBED COCC#CCNC1CCC(N(C)C(=O)c2nnn(C)n2)CC1 1755274644 CPHRCLJBNFIWNG-UHFFFAOYSA-N 320.397 -0.167 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1(CCO)CN([C@H](C)C(N)=O)C1 1755336258 MUVOMAXITCGQMV-UTUOFQBUSA-N 311.382 -0.996 30 20 DBED C#CCCN[C@H]1C[C@H](C)N(C(=O)CN(C)S(=O)(=O)CC)C1 1755691486 XVZFCFUPWMYXJC-STQMWFEESA-N 315.439 -0.130 30 20 DBED C#CCNC(=O)CN1CC[C@]2(NC(=O)c3cc[nH]n3)CCC[C@H]12 1755696214 XHTFDMMHUIIFNV-XJKSGUPXSA-N 315.377 -0.114 30 20 DBED C#CCNCCOCCN(C)C(=O)c1ccc2nnc(O)n2c1 1755876686 QTBQEMZYBGZSCX-UHFFFAOYSA-N 317.349 -0.254 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@H](C)N(C)C(=O)Cc1n[nH]c(C)n1 1756021867 YRUYVHUERVDITP-BONVTDFDSA-N 323.397 -0.054 30 20 DBED C=CCC1(C(=O)N[C@H](CO)CNC(=O)c2cn(C)nn2)CCC1 1756517539 JOMAYQGITHUZBF-NSHDSACASA-N 321.381 -0.232 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)[C@H]2CCCC(=O)N2)C[C@H]1C 1757063819 GLZWIFYDMKGXCK-JHJVBQTASA-N 323.393 -0.179 30 20 DBED COCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC#N)C[C@@H]21 1786633117 ADMSLVSVRHFFAQ-AVGNSLFASA-N 309.366 -0.084 30 20 DBED CC[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1CC1 1793258696 NUBCJAJAQDACIY-FQLMCAECSA-N 320.389 -0.240 30 20 DBED N#CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccn1 1794642456 QHXXONNUAJZJRG-GNXNZQSNSA-N 315.333 -0.407 30 20 DBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]1F 1799180190 AOJBDMUFTCLGHU-DMIRSCGOSA-N 324.308 -0.978 30 20 DBED C=CCC(=O)N1CC[C@@H](CNC(=O)C(O)O)[C@@H]1c1cccnc1 1802923534 ALLQWBIXDVGCDE-JSGCOSHPSA-N 319.361 -0.026 30 20 DBED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C)CC1)CCO2 1834628261 VRJUWJXBORRBCH-MRXNPFEDSA-N 306.362 -0.124 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@@H](C)n2cccn2)CC1 44686063 UIIWZYLEZONVGD-CYBMUJFWSA-N 305.382 -0.110 30 20 DBED CC(C)NC(=O)CO/N=C(/N)C1=C(N)C2(CCCC2)N(C)C1=O 54390545 NAZSXDCXBMLLFM-UHFFFAOYSA-N 323.397 -0.203 30 20 DBED C[C@H]1CN(S(=O)(=O)N2CCN(CC#N)CC2)C[C@H](C)O1 73614689 QMWTXNHSXDYXKJ-RYUDHWBXSA-N 302.400 -0.518 30 20 DBED C=CCN1CCC(NC(=O)N2CCO[C@@H](C(=O)NC)C2)CC1 181636120 LTLZXWAKVPBSDZ-CYBMUJFWSA-N 310.398 -0.207 30 20 DBED C[C@H](CN1CCN(C)CC1)Nc1c(C#N)c(=O)n(C)c(=O)n1C 264408800 OBQTYMROZONKSD-LLVKDONJSA-N 320.397 -0.997 30 20 DBED N#Cc1cccc(S(=O)(=O)NCCCCS(N)(=O)=O)c1 292696056 CWABTBUFLVARQS-UHFFFAOYSA-N 317.392 -0.095 30 20 DBED CN1CCO[C@H](C/N=C(/O)NCc2nnc3n2CCCC3)C1 329099755 MJYCYOBKRPKFDW-LLVKDONJSA-N 308.386 -0.051 30 20 DBED CN1CC[C@@H]2OCCN(C(=O)CNc3ccc(C#N)cn3)[C@H]2C1 329212434 ZXFUKFAABGXTEV-KBPBESRZSA-N 315.377 0.297 30 20 DBED CCNC(=O)CN1CCN(C(=O)Cc2noc(C)c2C#N)CC1 330730543 ILSVZRPTGKNILQ-UHFFFAOYSA-N 319.365 -0.323 30 20 DBED C[C@@H]1C[C@H](CNS(=O)(=O)N2CCO[C@H](C#N)C2)CCO1 336943611 LOCKLSMHBVXYRY-IJLUTSLNSA-N 303.384 -0.140 30 20 DBED CN([C@@H]1CCCC[C@H]1O)S(=O)(=O)N1CCO[C@H](C#N)C1 337181863 MTPRLHTUBQSERM-IJLUTSLNSA-N 303.384 -0.309 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)NC[C@H]1CCCS1(=O)=O 337764508 LXTYIZNMBZMLOC-VHSXEESVSA-N 309.413 -0.368 30 20 DBED Cc1nc(S(=O)(=O)NCC(=O)N(C)C[C@@H](C)C#N)cn1C 337998942 AIAMRHAUALRCFF-VIFPVBQESA-N 313.383 -0.375 30 20 DBED CS(=O)(=O)N1CC[C@@H](CNC(=O)c2cnccc2C#N)C1 345353841 QWAQPKUZXJEGKY-JTQLQIEISA-N 308.363 -0.035 30 20 DBED CN(CC(C)(C)C#N)C(=O)CNS(=O)(=O)c1cnn(C)c1 353217345 YFOKLEJTBSQCKZ-UHFFFAOYSA-N 313.383 -0.293 30 20 DBED C=CCOC[C@@H](NC(=O)[C@H]1CCc2nnn(C)c2C1)C(=O)OC 356338139 IYVSGCOLYUXHQH-CMPLNLGQSA-N 322.365 -0.220 30 20 DBED CCO[C@H]1C[C@@H](O)C12CCN(C(=O)NCC(=O)NCC#N)CC2 358282936 XJNLYBOZXMGDAH-NEPJUHHUSA-N 324.381 -0.412 30 20 DBED Cn1cc(N2CC[C@H](NC(=O)N3CCO[C@H](C#N)C3)C2=O)cn1 408186489 UJNPQCQGZGOKGD-NEPJUHHUSA-N 318.337 -0.541 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@](C)(C#N)COC)C1=O 433965571 CTNNSHIAHPSXPM-CYBMUJFWSA-N 308.294 -0.992 30 20 DBED C[C@H](C(=O)N1CCN(CC(N)=O)C(=O)C1)c1cccc(C#N)c1 458073607 PAZHZABODBJIOY-NSHDSACASA-N 314.345 -0.182 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)C#Cc2cccs2)CC1 491812585 OFSJLPPRJXBHBJ-UHFFFAOYSA-N 315.398 -0.007 30 20 DBED N#CCCCS(=O)(=O)N1CCN(S(=O)(=O)C2CC2)CC1 528468499 FZQMPROJTKBLDI-UHFFFAOYSA-N 321.424 -0.270 30 20 DBED COc1cc(=NC(=O)NCCCc2[nH]nc(N)c2C#N)[nH]n1C 547843857 ODGNIOFWJWTRBM-UHFFFAOYSA-N 318.341 -0.218 30 20 DBED Cn1nnc(CS(=O)(=O)CC(=O)Nc2cccc(C#N)c2)n1 563549621 KNNIQAKRYQDCJX-UHFFFAOYSA-N 320.334 -0.365 30 20 DBED C=CCOC[C@@H](NC(=O)[C@@H]1CCc2nnnn2CC1)C(=O)OC 573330099 FSQDEZXQBQUFNX-GHMZBOCLSA-N 323.353 -0.514 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@@H](CC(=O)O)C(=O)O 574329513 IWSFPVYZJJEULK-YUMQZZPRSA-N 307.328 -0.770 30 20 DBED Cc1ncc(S(=O)(=O)NC[C@H](O)[C@@H]2CCOC2)cc1C#N 574699407 NTONTLVPPBCLBM-MFKMUULPSA-N 311.363 -0.063 30 20 DBED N#Cc1nc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)sc1Cl 590586698 QQBKURDEBGDHKW-ZCFIWIBFSA-N 311.754 -0.185 30 20 DBED C[C@H](C#N)CN(C)C(=O)C(=O)N(CCOCCO)C1CCC1 595200318 VNSCBBWXJLKNNT-GFCCVEGCSA-N 311.382 -0.006 30 20 DBED CC(C)(O)[C@H](Oc1ccccc1)C(=O)NCC(=O)NCC#N 597651291 NGWSPKGKSPJQIT-CYBMUJFWSA-N 305.334 -0.039 30 20 DBED CC(C)[C@@](C)(C#N)NC(=O)CN1C(=O)N[C@@]2(CCOC2)C1=O 611115407 SBVXGVCEZSOYDL-ZIAGYGMSSA-N 308.338 -0.248 30 20 DBED C#CC[C@@H](CO)NC(=O)c1ccc(S(=O)(=O)N(C)C)o1 717770209 OZQVRKMTMZZETP-VIFPVBQESA-N 300.336 -0.356 30 20 DBED CCCCCCNC(=O)[C@H](C#N)C(=O)c1cn(CC(N)=O)nn1 744023135 VHEUNRUKNJWQJG-SNVBAGLBSA-N 320.353 -0.218 30 20 DBED C#CCNC(=O)COC(=O)COCCNC(=O)c1ccccc1 752333915 SXZSCQCDEOWPOL-UHFFFAOYSA-N 318.329 -0.274 30 20 DBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C1=NNC(=O)C1 757434162 DBKSGONDQQAQHK-SECBINFHSA-N 313.321 -0.739 30 20 DBED C[C@]1(c2cccnc2)NC(=O)N(CC(=O)NCCC#N)C1=O 757751180 YNWGUBNNVAJGLO-CQSZACIVSA-N 301.306 -0.122 30 20 DBED COC[C@H](NS(=O)(=O)c1ccc(Cl)cc1C#N)C(N)=O 758481364 DLLGESIDQJVUQH-VIFPVBQESA-N 317.754 -0.010 30 20 DBED C=CCS(=O)(=O)NC(=O)c1ccc(=O)n(-c2cnn(C)c2)c1 761123268 HFXKUFBRRWGXMG-UHFFFAOYSA-N 322.346 -0.183 30 20 DBED N#CCOc1ccccc1C(=O)NC[C@H]1CC(C(N)=O)=NO1 793903137 PYSXFHMBOUHMPW-SECBINFHSA-N 302.290 -0.051 30 20 DBED CCOC(=O)CC[C@]1(C)NC(=O)N(CC(=O)NCCC#N)C1=O 804925364 WFWBCISYWJCVKG-AWEZNQCLSA-N 324.337 -0.330 30 20 DBED Cn1c(=O)n(C)c2cc(S(=O)(=O)O[C@H]3CNOC3)ccc21 809381444 STPYABZWFSJIBO-QMMMGPOBSA-N 313.335 -0.514 30 20 DBED C[C@@H](C#N)OCCOC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1 815261270 AGWKRCXEXUXKPG-VHSXEESVSA-N 305.356 -0.626 30 20 DBED C=C(C)CN(CC)C(=O)COC(=O)CCn1ncn(C)c1=O 815271529 SLNVPYUDTDZHBE-UHFFFAOYSA-N 310.354 -0.060 30 20 DBED C#CCNC(=O)CCN[C@@H]1CCN(CCN2CCOCC2)C1 819078759 ZAVAYDWRGZWDEV-OAHLLOKOSA-N 308.426 -0.878 30 20 DBED N#CCCN1CCN(C(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)CC1 827483718 QQLFROWSAUTITC-LBPRGKRZSA-N 316.365 -0.180 30 20 DBED C#CCOCCNC(=O)[C@@H]1CC[C@H](C(=O)NCCOCC#C)O1 832102664 IBRJBEKYXHRLET-OKILXGFUSA-N 322.361 -0.934 30 20 DBED N#C[C@@H]1CNC[C@@H]1NC(=O)CSCC(=O)N1CCCCC1 834517477 VYMRWOVDFJQRGC-NEPJUHHUSA-N 310.423 -0.040 30 20 DBED N#C[C@H]1CN([C@H]2CC(=O)N(CCCO)C2=O)CCN1C1CC1 864350012 ASYYAYDMZYPEOZ-STQMWFEESA-N 306.366 -0.832 30 20 DBED C#CCN1CCC[C@@H](NC(=O)CCC[C@@]2(C)NC(=O)NC2=O)C1 923570372 JHRUKJAKTQQZLQ-MLGOLLRUSA-N 320.393 -0.031 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)[nH]1 937841521 KFAPISSQPRNEOO-AXFHLTTASA-N 315.333 -0.662 30 20 DBED C[C@H](C#N)C(=O)N1CCCN(C(=O)c2cn(C)c(=O)n2C)CC1 941405524 PAXRUIXKEQIXIE-LLVKDONJSA-N 319.365 -0.442 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCCC[C@H](NC(=O)C(N)=O)C1 943491507 HPEKZRGHPYIBPH-STQMWFEESA-N 320.393 -0.933 30 20 DBED Cc1nn(C)cc1C(=O)NC[C@@H]1CN(C(=O)[C@H](C)C#N)CCO1 944515621 JDLDEOCMROGKHH-ZYHUDNBSSA-N 319.365 -0.155 30 20 DBED CO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)Cc1nc[nH]n1 946863186 VQXVCJVHMWDMRF-VXGBXAGGSA-N 317.349 -0.897 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(NC(=O)c2cn(C)c(=O)cn2)CC1 948098260 CIGZDCUOLCOALG-JTQLQIEISA-N 317.349 -0.339 30 20 DBED C=CCN1CC[C@H](N2CCC[C@@H](N(C)C(=O)C(N)=O)CC2)C1=O 948736728 BTEFTBNSKYQZHL-OLZOCXBDSA-N 322.409 -0.429 30 20 DBED CC#CCN1C[C@H](CNC(=O)c2cc(=O)c(OC)co2)[C@@H](O)C1 958262070 GLYCPVJOFKRZEV-AAEUAGOBSA-N 320.345 -0.306 30 20 DBED C=CCN1C[C@@H](O)[C@H](CNC(=O)c2cc(=O)c(OC)c[nH]2)C1 958264249 VMPCVXVBZIWXMS-ZWNOBZJWSA-N 307.350 -0.408 30 20 DBED Cn1ncnc1CN1C[C@@H]2C(NC(=O)c3cc(C#N)c[nH]3)[C@H]2C1 958500666 SHSRHKDDRDEXTJ-QWRGUYRKSA-N 311.349 -0.125 30 20 DBED C=CCCN1C[C@H](CNC(=O)c2ccc(C(N)=O)cn2)[C@@H](O)C1 958743952 CSDNGFSMTFCGIQ-JSGCOSHPSA-N 318.377 -0.221 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2cnn(C)c2C2CC2)C1 958748940 SYKRQWJQCWEVST-TZMCWYRMSA-N 302.378 -0.047 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2cccc3nnn(C)c23)C1 958763814 WKFLBBJFHORTKB-RISCZKNCSA-N 313.361 -0.376 30 20 DBED CC#CCN1C[C@H]2C(NC(=O)[C@H]3CC(=O)N(CCOC)C3)[C@@H]2C1 960170066 WHGCFTQQVWUKGW-BFHYXJOUSA-N 319.405 -0.449 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)c2ccncc2F)C1 962021710 AHGLPPUIOAQXDZ-FXAINCCUSA-N 306.297 -0.318 30 20 DBED C=C(C)CN1C[C@@H]2C(NC(=O)CN3C(=O)NC(=O)C3(C)C)[C@H]2C1 962188319 DAUPOCQIAVQZKV-QWRGUYRKSA-N 320.393 -0.061 30 20 DBED N#Cc1c[nH]c(C(=O)N2CCC[C@@H]3[C@@H]2CCN3C(=O)C(N)=O)c1 962881478 UTCNXOUCPDAGII-NEPJUHHUSA-N 315.333 -0.423 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CCC(=O)NC1 969356058 ZTYNWJUTHJQVDH-ZDEQEGDKSA-N 318.377 -0.126 30 20 DBED C=CCn1cccc1C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)C(N)=O 969797968 QBPRTNZBIBUAPM-TXEJJXNPSA-N 316.361 -0.025 30 20 DBED CCc1nocc1C(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1O 970358475 FSIGKAJSMWHKMP-AXTRIDKLSA-N 306.322 -0.302 30 20 DBED N#CCN1CCO[C@@]2(CCN(C(=O)c3ccc(O)nn3)C2)C1 972235305 TWEUSLIJSJSTFM-AWEZNQCLSA-N 303.322 -0.377 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)c3n[nH]c(C)c3O)C2)C1 972346695 OTCHZHSQOACBPL-OAHLLOKOSA-N 304.350 -0.026 30 20 DBED C#CCCN1CCO[C@@]2(CCN(C(=O)c3cn(C)nn3)C2)C1 972370382 NBIJKHVLBCTXOL-HNNXBMFYSA-N 303.366 -0.245 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)CN3CCCCC3=O)C2)C1 972446624 LGFALTVCNYEYGM-QGZVFWFLSA-N 319.405 -0.065 30 20 DBED CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CN(CC#N)CC2(C)C)O1 975028986 HGIMHSFLGDOBKI-FRRDWIJNSA-N 322.409 -0.028 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCCN(C(=O)C(N)=O)C1 975315739 FPDDSAREMFFAST-XQQFMLRXSA-N 323.393 -0.192 30 20 DBED C=C(C)CN1C[C@@H]2C(CNC(=O)[C@H]3CC[C@@H](C(N)=O)O3)[C@H]2C1 978709840 XKQZZNGSNBIGTM-YIYPIFLZSA-N 307.394 -0.111 30 20 DBED CN(CC#N)C1CCN(C(=O)CCN2C(=O)CCC2=O)CC1 985528787 ZNCQGJLZMDYRIV-UHFFFAOYSA-N 306.366 -0.028 30 20 DBED Cc1nonc1CC(=O)N1CC(NC(=O)c2cc(C#N)c[nH]2)C1 990701708 XVTBRPRNQOVQPX-UHFFFAOYSA-N 314.305 -0.239 30 20 DBED N#CCN1CC[C@@H](n2cc(CNC(=O)c3cnccn3)nn2)C1 999963500 SIKMNOHTHOAMJO-GFCCVEGCSA-N 312.337 -0.232 30 20 DBED COc1c(C(=O)NC2CN(C(=O)[C@H](C)C#N)C2)c(C)nn1C 1000244117 JLRVZPLIURZBJK-MRVPVSSYSA-N 305.338 -0.163 30 20 DBED CN1CC[C@@H](C(=O)NCC2CN(C(=O)C#CC3CC3)C2)CC1=O 1003063025 LGTRRHHBYJCVDQ-CQSZACIVSA-N 317.389 -0.157 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C(=O)[C@@H]2CCCN(C(N)=O)C2)CC1 1011494373 DGOPLONWSHELBW-NWDGAFQWSA-N 321.381 -0.392 30 20 DBED NC(=O)[C@@H]1C[C@@H]1C(=O)N1CC2(CCN(C(=O)C#CC3CC3)C2)C1 1019445618 CEYMAELGSOSMCM-OLZOCXBDSA-N 315.373 -0.418 30 20 DBED C[C@@H](C#N)C(=O)N1CCCO[C@H](CNC(=O)c2ncc[nH]2)C1 1019585226 SYOBRAXVUWSKBR-WDEREUQCSA-N 305.338 -0.083 30 20 DBED C[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1O 1025014615 ZCMQEDDDMIFYFH-HUXSOILUSA-N 302.334 -0.156 30 20 DBED C#CCN1CC[C@H](CNC(=O)C2CC3(C2)CS(=O)(=O)C3)C1 1028628248 QLEIAWZGVIWQLZ-GFCCVEGCSA-N 310.419 -0.118 30 20 DBED C#CCN1CC[C@@H](CNC(=O)c2ccc(-n3cnnn3)cn2)C1 1028714082 QTHJSSRWYSVYBA-LBPRGKRZSA-N 311.349 -0.258 30 20 DBED C#CCCN1[C@H]2CC[C@H]1CN(C(=O)CN1CC(=O)NC1=O)C2 1029516346 BQTDHUBRESWPGH-RYUDHWBXSA-N 304.350 -0.763 30 20 DBED C#CCN1C[C@@H]2C[C@H]1CN2C(=O)Cn1nc2n(c1=O)CCCC2 1032720045 JEDMDUMXZYEJTF-STQMWFEESA-N 315.377 -0.701 30 20 DBED C#CCN1CCCC[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)C1 1034487529 QBLHISPWBGIGRL-NSHDSACASA-N 314.349 -0.365 30 20 DBED C=C(C)CCN1CCO[C@@H](CNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 1035534750 MACONUQRECXEPO-RYUDHWBXSA-N 324.381 -0.632 30 20 DBED CC#CCN1CC[C@H]2CN(C(=O)C3CS(=O)(=O)C3)CC[C@@H]21 1036724112 ACKAAAPAPNPYQG-JSGCOSHPSA-N 310.419 -0.023 30 20 DBED CC[C@H]1CN(C(=O)CN2CCOCC2=O)CC[C@H]1NCC#N 1037858554 ITTCTTSNHVEJPX-QWHCGFSZSA-N 308.382 -0.415 30 20 DBED C#CCN1CCC[C@]2(CCN(C(=O)C[C@@H]3CC(=O)NC3=O)C2)C1 1040555498 IJRBBEZVPMAVHR-GUYCJALGSA-N 317.389 -0.013 30 20 DBED N#Cc1cc(C(=O)N2CC(O)(CNC(=O)[C@@H]3CCCO3)C2)c[nH]1 1041349899 KUIVTYJBLQPSFS-LBPRGKRZSA-N 318.333 -0.632 30 20 DBED CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)CSCC#N)C1 1041568316 HMGWUJPDOSLGGM-SNVBAGLBSA-N 315.395 -0.642 30 20 DBED CO[C@H](C)C(=O)NCC1(O)CN(C(=O)c2cc(C#N)c[nH]2)C1 1041753702 DZJYPCFVMUHDHB-SECBINFHSA-N 306.322 -0.776 30 20 DBED CO[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1NC(=O)c1nc[nH]n1 1042871042 MALQTAXXRVDQKJ-NXEZZACHSA-N 314.309 -0.900 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)c2c[nH]cc2C)C1 1043042496 PNXVRAIOAVPDCG-GFCCVEGCSA-N 319.361 -0.335 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(O)(CNC(=O)[C@@]23COC[C@@H]2C3)C1 1043362931 WELUSXRJGBKKRF-PJODQICGSA-N 324.377 -0.961 30 20 DBED C=CCCOCC(=O)NCC1(O)CN(C(=O)CCN(C)C)C1 1043565530 OFKVJQMGSBGFHU-UHFFFAOYSA-N 313.398 -0.780 30 20 DBED C=CCCOCC(=O)N1CC(O)(CNC(=O)c2cncn2C)C1 1043755335 MLNHGQWWCRPFOD-UHFFFAOYSA-N 322.365 -0.684 30 20 DBED C#CCN[C@@H]1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)[C@H](C)C1 1044761919 CPHCQHKABCGIOC-VXGBXAGGSA-N 318.377 -0.700 30 20 DBED Cn1nncc1C(=O)N1CCN([C@H]2CCN(CC#N)C2)CC1 1046024875 CQYLPTRHGGBESW-LBPRGKRZSA-N 303.370 -0.829 30 20 DBED Cc1nonc1CC(=O)N1CCN([C@@H]2CCN(CC#N)C2)CC1 1046074254 WHHXMGAMAGFBOF-CYBMUJFWSA-N 318.381 -0.337 30 20 DBED CC#CCN1CC[C@H](N2CCN(C(=O)Cn3cncn3)CC2)C1 1046081090 FSJPEHAHYWZKPQ-HNNXBMFYSA-N 316.409 -0.480 30 20 DBED CC#CCN1CCC(F)(F)[C@H](CNC(=O)[C@H]2CNC(=O)N2)C1 1046969646 CYDCPHHCVOZNGY-GHMZBOCLSA-N 314.336 -0.236 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCN(C(N)=O)C2)C1 1047450016 NQFJCKZIFKMDDU-IHRRRGAJSA-N 322.409 -0.696 30 20 DBED C#Cc1ccc(C(=O)N(C)[C@H]2CN([C@H](C)C(N)=O)C[C@@H]2O)cn1 1047599434 VABCUBXBNORKHP-SWHYSGLUSA-N 316.361 -0.946 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2COCCO2)C1 1048328003 VGTRXRXXRQGDBP-IHRRRGAJSA-N 324.377 -0.909 30 20 DBED C=CCN1CC[C@H](N2C[C@H]3CN(C(=O)COC)C[C@H]3C2)C1=O 1048632409 QJLFHPKSCHEWMJ-MJBXVCDLSA-N 307.394 -0.190 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCc2ncc[nH]2)C1 1048768851 AJAIGXQRROSDOB-SRVKXCTJSA-N 319.365 -0.468 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCN(C)C2)C1 1048873875 NXHWYWJDQKMKGQ-RDBSUJKOSA-N 309.410 -0.066 30 20 DBED N#CCN1C[C@H]2CN(C(=O)CCn3cnccc3=O)C[C@H]2C1 1049140047 GWWAIWXRWPKLGN-BETUJISGSA-N 301.350 -0.453 30 20 DBED C#CCCN1C[C@@H]2CCCN(C(=O)C[C@@H]3NC(=O)NC3=O)[C@@H]2C1 1050067761 XSKGAWKOKRXMRW-RWMBFGLXSA-N 318.377 -0.469 30 20 DBED C[C@@H]1[C@@H](NC(=O)c2nnn(C)n2)CCN1c1nccnc1C#N 1050896788 NAUADFTXYIOASF-BDAKNGLRSA-N 313.325 -0.731 30 20 DBED C#CCCN1CCOC[C@H]1CNC(=O)c1cc(=O)c(OC)c[nH]1 1051028520 QYZDRESWTWNTSH-GFCCVEGCSA-N 319.361 -0.163 30 20 DBED N#CCN1CCOC[C@H]1CNC(=O)c1cn([C@@H]2CCOC2)nn1 1051204085 UPZIECMORYJJSL-VXGBXAGGSA-N 320.353 -0.806 30 20 DBED COc1ncnc(OC)c1C(=O)NC[C@H]1COCCN1CC#N 1051268496 KJWCBGALCVKOGI-JTQLQIEISA-N 321.337 -0.552 30 20 DBED C=CCOCC(=O)N[C@H](C)[C@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 1051454721 VUOIBCUMYGBAHW-NEPJUHHUSA-N 323.393 -0.192 30 20 DBED C#CCN1CCN([C@@H]2CCN(C(=O)Cn3ccnc3)C2)CC1 1052123713 NPSPOPKOEJCJBY-OAHLLOKOSA-N 301.394 -0.265 30 20 DBED C#CCN1CCC[C@@H](NC(=O)c2cn(C)c(=O)nc2O)CC1 1052929156 JSZIBIZDPOXPBH-LLVKDONJSA-N 304.350 -0.297 30 20 DBED C=CCN1CC2(C1)CN(C(=O)[C@H](C)N1CCOCC1)CCO2 1053553775 RYSGTAULZKOYOQ-AWEZNQCLSA-N 309.410 -0.194 30 20 DBED CC#CCN1CC2(CC[C@@H](CNC(=O)[C@@H]3CCC(=O)N3)O2)C1 1053692800 UGNLLNDYGWVUSM-STQMWFEESA-N 305.378 -0.362 30 20 DBED C[C@@H](C(=O)N[C@@H]1COC2(C1)CN(CC#N)C2)N1CCCCC1=O 1054016851 MEKAWNJWTKRKRA-STQMWFEESA-N 320.393 -0.130 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2ccc(S(N)(=O)=O)o2)C[C@@H]1C 1054854502 VCNNAABSVGTAIF-VHSXEESVSA-N 311.363 -0.390 30 20 DBED Cc1nc(C(=O)N2C[C@H](C)[C@@H](NCC#N)C2)nn1-c1nc[nH]n1 1054954667 QCMRGLFQEUMLRQ-WPRPVWTQSA-N 315.341 -0.733 30 20 DBED N#Cc1cnc(N2CCN(C(=O)[C@@H]3CCNC(=O)C3)CC2)cn1 1055752998 HQJOAULRGSYJKH-LLVKDONJSA-N 314.349 -0.477 30 20 DBED O=C(N[C@]1(CO)CCCN(C(=O)C#CC2CC2)C1)[C@H]1CCOC1 1055817957 UBMRYVDBCVSSNP-WMLDXEAASA-N 320.389 -0.094 30 20 DBED Cn1cncc1CC(=O)N1CCN(c2cncc(C#N)n2)CC1 1055861319 WKABCKUQBFPIPS-UHFFFAOYSA-N 311.349 -0.027 30 20 DBED Cc1ccc(C#N)c(N2C[C@H]3[C@H](NC(=O)c4nnn(C)n4)[C@H]3C2)n1 1056372272 KNYBKQNZBWXVHX-GDNZZTSVSA-N 324.348 -0.350 30 20 DBED C=CCCOCC(=O)NCCN(CCO)C(=O)CCOC 1056733843 YYDSWCKFCFPCBF-UHFFFAOYSA-N 302.371 -0.447 30 20 DBED N#Cc1c[nH]ccc1=NC1CCN(C(=O)Cn2ncnn2)CC1 1057374819 MUDQLSBNRJHBKD-UHFFFAOYSA-N 312.337 -0.535 30 20 DBED O=C(NCCN(CCO)C(=O)C#CC1CC1)c1csc(O)n1 1057538273 ZNIMNEFLNKKMOL-UHFFFAOYSA-N 323.374 -0.187 30 20 DBED C=CCn1cc(C(=O)N(CCO)CCNC(=O)[C@@H]2C[C@@H]2C)nn1 1057626483 SHRWSJWVZXJASL-NWDGAFQWSA-N 321.381 -0.329 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)COCC(F)F 1058143731 IMZNBBDFQDCOHK-VIFPVBQESA-N 307.297 -0.635 30 20 DBED C=C(C)C[C@@H](C)C(=O)N(CCO)CCNC(=O)c1nc[nH]n1 1058464128 OOYJCSUGEXKPQN-LLVKDONJSA-N 309.370 -0.042 30 20 DBED C=CCOCC(=O)N1CC[C@H](CCNC(=O)Cn2cncn2)C1 1059337854 RUUXXRUPFHDTTN-ZDUSSCGKSA-N 321.381 -0.165 30 20 DBED Cn1nnc(C(=O)NC[C@H]2CCCN2c2cncc(C#N)n2)n1 1061427692 JMASSRFGYCCAIE-SNVBAGLBSA-N 313.325 -0.729 30 20 DBED C#CCNC(=O)CC(=O)N1CCOC[C@H]1CNC(=O)/C(C)=C/C 1061481344 GJFNYGAGNAPOBC-YQJFHSMKSA-N 321.377 -0.564 30 20 DBED C=CCCCC(=O)NC[C@H]1COCCN1C(=O)[C@H]1CCC(=O)N1 1061829797 ZBWSJOBNBFAXCC-QWHCGFSZSA-N 323.393 -0.035 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)c1n[nH]cc1F 1061852913 OEUQNYCNLPZIEX-DTWKUNHWSA-N 309.301 -0.334 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)[C@@H]2CN(C)CCO2)CCC1 1062746462 LUBLFUKTGJBVFN-RYUDHWBXSA-N 308.382 -0.368 30 20 DBED C#CCCCCC(=O)NC[C@H]1CN(C(=O)CC(N)=O)CCO1 1064997169 PZDQHHMPZKKLTO-LBPRGKRZSA-N 309.366 -0.601 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)[C@H]2COC(=O)N2)CCO1 1065109497 ZKWZVJDUCQGJJX-VXGBXAGGSA-N 323.349 -0.758 30 20 DBED C#CCOCCC(=O)N1CCO[C@@H](CNC(=O)c2cnco2)C1 1065150758 UVBNCMNGSAWISW-LBPRGKRZSA-N 321.333 -0.328 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CN(C(=O)COCC(F)F)CCO1 1065365203 BKLXMHULVKIGBO-ZJUUUORDSA-N 319.308 -0.229 30 20 DBED C=CC(C)(C)C(=O)N1CCO[C@@H](CNC(=O)Cc2nc[nH]n2)C1 1065426246 ODYXIXJTXDGAAO-NSHDSACASA-N 321.381 -0.097 30 20 DBED C#CCCCC(=O)N1CCC[C@H](NC(=O)[C@@H]2CNC(=O)N2)CC1 1066458611 JJOJBAJCOHXWJV-STQMWFEESA-N 320.393 -0.031 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H]1CN(C(=O)c2cnon2)CCO1 1066640847 ZQVGZNQEXCRTDN-NSHDSACASA-N 314.305 -0.289 30 20 DBED C=CCOCC(=O)N1CCOC2(C1)CN(C(=O)[C@@H]1CCCO1)C2 1068355094 HVUGBHDQNNHOEW-ZDUSSCGKSA-N 324.377 -0.192 30 20 DBED C=CCOCC(=O)N1CC2(C1)CN(C(=O)c1cnon1)CCO2 1068439310 KLIBMCOQALDTMJ-UHFFFAOYSA-N 322.321 -0.674 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)Cc2cc(C)[nH]n2)C1 1069908167 JYSWQGWGTYRSRG-KGLIPLIRSA-N 313.365 -0.473 30 20 DBED Cn1cncc1[C@@H]1CN(C(=O)c2cnccn2)C[C@H]1NCC#N 1070616951 ROXPGHHDWKGBDZ-DGCLKSJQSA-N 311.349 -0.069 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)c4nnn(C)c4C)C[C@@]3(C1)O2 1070779882 KNGWKMVZCFKUCI-WOSRLPQWSA-N 315.377 -0.328 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)c2ccn(CC)n2)CC1 1071005627 AVZRXWKGONQVLI-UHFFFAOYSA-N 317.393 -0.200 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(C(=O)COCC=C)C[C@@H]1C 1071809865 ZTKLURBJVIOWIE-QWHCGFSZSA-N 321.377 -0.708 30 20 DBED C#CCOCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)c2[nH]nnc2C)C1 1072094065 OWJOZEKUMKNKHW-PWSUYJOCSA-N 319.365 -0.270 30 20 DBED C=CCCOCC(=O)N1C[C@@H](NC(=O)CNC(N)=O)[C@H](C)C1 1072329193 HUFKRRRSUAOICY-GHMZBOCLSA-N 312.370 -0.790 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCN(C[C@@H](O)Cn3cccn3)C2)C1 1072544101 AXWMFNDHLNRPHX-UONOGXRCSA-N 317.393 -0.062 30 20 DBED C[C@@H](CCNC(=O)[C@H]1CNC(=O)N1)NC(=O)c1cc(C#N)c[nH]1 1078091139 NTJDDFCBWODOKN-GZMMTYOYSA-N 318.337 -0.808 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)c2cncc(C(N)=O)c2)C1 1078194256 AOCYMFRRVRIDMH-ZIAGYGMSSA-N 318.377 -0.078 30 20 DBED C[C@@H]1CN(Cc2nnnn2C)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 1079542574 XUVLLLWMRDWBKT-BXKDBHETSA-N 314.353 -0.340 30 20 DBED C=CCOCC(=O)N1CC(N(CC)C(=O)[C@H]2CC(=O)N(C)C2)C1 1079915396 YABYZAUORQYQNC-LBPRGKRZSA-N 323.393 -0.273 30 20 DBED C#Cc1cncc(C(=O)N2C[C@H](O)[C@H](CNC(=O)C(F)F)C2)c1 1081161595 SBEHLUVRPPDJEU-NEPJUHHUSA-N 323.299 -0.123 30 20 DBED C=CCCOCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2ncc[nH]2)C1 1081455661 PWCBPTTYCJIMMH-NWDGAFQWSA-N 322.365 -0.449 30 20 DBED C#CCCN1C[C@@H](NC(=O)c2cn(C)nc2OC)[C@H](OC)C1 1082018415 ATZGAOZMYSHWCP-CHWSQXEVSA-N 306.366 -0.119 30 20 DBED C#CCN1C[C@@H](NC(=O)c2ccc3nc(O)[nH]c3n2)[C@H](OC)C1 1082069793 ZTFNFLMTBTWMAX-VXGBXAGGSA-N 315.333 -0.274 30 20 DBED C=C(C)CN1C[C@@H](NC(=O)c2nccnc2C(N)=O)[C@H](OC)C1 1082361141 MKUCZQVPGOVWFV-GHMZBOCLSA-N 319.365 -0.419 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2c[nH]nc2[C@H]2CCOC2)C1 1083674311 VTGPBDKLBOKHBO-UHTWSYAYSA-N 304.350 -0.678 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(CC(=O)NC)C[C@@H]2O)cc1 1083691082 XKSHOGPUGLXPPI-KGLIPLIRSA-N 301.346 -0.811 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(C[C@H](C)OC)C[C@@H]2O)cn1 1083970349 QKUZBXSGEZEYFO-GLQYFDAESA-N 303.362 -0.127 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCc3c[nH]nc3C2)C1 1084078358 VZYXMAXPYCZDIU-GLQYFDAESA-N 302.378 -0.301 30 20 DBED C#CCN[C@H]1C[C@H](CNC(=O)[C@H]2CC(=O)N(CCOC)C2)C1 1086380870 FLLLAFQXLWOIJJ-IHRRRGAJSA-N 307.394 -0.401 30 20 DBED C#CCN1C[C@H]2CC[C@H]1[C@@H]1CN(C(=O)Cn3cnnn3)C[C@H]21 1087336341 ZYKWRRUTEPKKMT-SYQHCUMBSA-N 300.366 -0.525 30 20 DBED N#CCN[C@@H]1CCCCCN(C(=O)C[C@@H]2CC(=O)NC2=O)C1 1088435857 RGWZMQBVDYLUKN-NWDGAFQWSA-N 306.366 -0.076 30 20 DBED CCN(c1nccnc1C#N)[C@H](C)CNC(=O)Cn1ncnn1 1089698535 QKBMAPLIHKNDLX-SNVBAGLBSA-N 315.341 -0.634 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)CN2CCC(=O)NC2=O)[C@@H](O)C1 1090709768 QKPWFNISUOHWOS-NEPJUHHUSA-N 324.381 -0.944 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2cccn(C)c2=O)[C@H](O)C1 1090738057 VWLLLXIWENAMGR-ZIAGYGMSSA-N 303.362 -0.426 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cccc3nnn(C)c23)[C@@H](O)C1 1090856756 HPURKVCDVMKDNJ-JSGCOSHPSA-N 313.361 -0.234 30 20 DBED CNC(=O)CC(=O)N[C@H]1CCN(c2cncc(C#N)n2)[C@@H]1C 1091958891 AKBWQTCZVHZJBB-KOLCDFICSA-N 302.338 -0.432 30 20 DBED C[C@@H]1[C@@H](NC(=O)C2(C(N)=O)CC2)CCN1c1ccnc(C#N)n1 1092044888 KATPEGVMEYMFDB-ZJUUUORDSA-N 314.349 -0.303 30 20 DBED CNC(=O)NCCC(=O)N1CCN(c2ccnc(C#N)n2)CC1 1093153453 FLSSDIIEWQKCRM-UHFFFAOYSA-N 317.353 -0.684 30 20 DBED C=CCN1C[C@@H](C)[C@H](CNC(=O)c2cn(CC(N)=O)nn2)C1 1093223774 GZQPXEPXXOATIK-GHMZBOCLSA-N 306.370 -0.753 30 20 DBED N#CCN1CC(OC2CCN(C(=O)C[C@H]3CCC(=O)N3)CC2)C1 1093583984 VDZMEFRKPBCPFA-GFCCVEGCSA-N 320.393 -0.130 30 20 DBED CC(=O)N1CCC[C@@H]1C(=O)NCCNc1nccnc1C#N 1093683622 DOPKMOHATGNRBB-GFCCVEGCSA-N 302.338 -0.113 30 20 DBED N#Cc1nc(=NCCNC(=O)[C@H]2CCCCS2(=O)=O)cc[nH]1 1093922567 LFRLWISXVHTWPE-SNVBAGLBSA-N 323.378 -0.734 30 20 DBED N#Cc1c[nH]ccc1=NCCCNC(=O)CNC(=O)C1CC1 1094317938 IAGUCHFPMSXNFV-UHFFFAOYSA-N 301.350 -0.180 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)c3ccnc(F)c3)CC2=O)C1 1094714435 WOWPONBPMPWNBJ-GFCCVEGCSA-N 316.336 -0.131 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)c3ocnc3C)CC2=O)C1 1094723623 NQLWQMJJCWKXQQ-NSHDSACASA-N 302.334 -0.369 30 20 DBED N#Cc1nccc(N2CCN(CCNC(=O)C#CC3CC3)CC2)n1 1096282317 GKKKVHOAUVLKSN-UHFFFAOYSA-N 324.388 0.000 30 20 DBED CC(=O)N1CCOC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC#N 1096575694 VTDFZSCLBQPLNJ-RFGFWPKPSA-N 306.366 -0.521 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H]1CCc2nnc(O)n2C1 1097368267 PIBLBNPITLMBAS-LPWJVIDDSA-N 315.377 -0.099 30 20 DBED Cc1cc(=N[C@@H](C)CNC(=O)c2c[nH]c(=O)cn2)c(C#N)c[nH]1 1098221089 SLRHDEJJQOHDER-JTQLQIEISA-N 312.333 -0.003 30 20 DBED C=CCCN(CCO)C1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1 1098480117 QNWQWRNHFDKBNG-KGLIPLIRSA-N 309.410 -0.031 30 20 DBED C#CCNCc1cn([C@@H]2CCN(C(=O)c3cn(C)cn3)C2)nn1 1098654925 CYTPGYQTOBXYIH-CYBMUJFWSA-N 313.365 -0.178 30 20 DBED N#CCNC(=O)CN1CC[C@H](NC(=O)c2cccs2)[C@H](O)C1 1099630960 SMYCTZDPMKJTMJ-WDEREUQCSA-N 322.390 -0.447 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)Cn2cccn2)[C@H](O)C1 1099663134 JRQJTNSIDGSKCV-UONOGXRCSA-N 308.382 -0.363 30 20 DBED N#CCNC(=O)CN1CC[C@H](NC(=O)CCC2CC2)[C@H](O)C1 1099751004 XJVWHTVMIDCJAT-QWHCGFSZSA-N 308.382 -0.632 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)c2cnnn2CC)[C@H](O)C1 1099807826 WIEDMBZDUOAQKE-GXTWGEPZSA-N 323.397 -0.334 30 20 DBED C#CCN1CC[C@H](NC(=O)C2(CC#C)CCOCC2)[C@H](O)C1 1099869273 MOCLEPQQBSBQDF-LSDHHAIUSA-N 304.390 -0.009 30 20 DBED COCC#CCN1CC[C@H](NC(=O)Cc2cnc(C)o2)[C@H](O)C1 1099869665 SLQOBPGALRZBRR-LSDHHAIUSA-N 321.377 -0.273 30 20 DBED C=CCN1CC[C@H](NC(=O)C(=O)NCC(F)(F)F)[C@H](O)C1 1100056093 OQOXZBSDOCKMTB-DTWKUNHWSA-N 309.288 -0.598 30 20 DBED N#CCN1CC[C@@H](NC(=O)CNC(=O)c2ccco2)[C@H](O)C1 1100096607 KCPIKBZHXJNZOJ-GHMZBOCLSA-N 306.322 -0.916 30 20 DBED COCC#CCNC1CC(CNC(=O)CN(C)C(=O)C2CC2)C1 1100381199 ZZCXJCFETDQGKQ-UHFFFAOYSA-N 321.421 -0.011 30 20 DBED CCN(CCNC(=O)CN(C)C(C)=O)c1nccnc1C#N 1100450200 OKAFRBNBBPTQPJ-UHFFFAOYSA-N 304.354 -0.231 30 20 DBED C=CCNC(=O)CNC1CC(CNC(=O)Cc2cnc[nH]2)C1 1100706603 OOVNDAIGRXCIIC-UHFFFAOYSA-N 305.382 -0.261 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)CN2CCCC2)C1 1100984977 WSEFRKVFWQPGTA-UHFFFAOYSA-N 306.410 -0.684 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CN(C(=O)COC(C)C)C[C@]2(C)C1 1101154051 PITFWGKECKSNQF-PBHICJAKSA-N 321.421 -0.059 30 20 DBED CN(CCNc1ncccc1C#N)C(=O)C[C@H]1CC(=O)NC1=O 1101680374 KHYZUNKQUWNVNQ-LLVKDONJSA-N 315.333 -0.124 30 20 DBED COCC#CCN1C[C@@H](C)[C@H](CNC(=O)[C@@H]2CN(C)C(=O)N2)C1 1102226096 CNZNMRYOQXVQKS-MCIONIFRSA-N 322.409 -0.656 30 20 DBED COCC#CCN1C[C@@H](C)[C@H](CNC(=O)C2(C(N)=O)CC2)C1 1102307810 TZLZREVOTNLRRR-CHWSQXEVSA-N 307.394 -0.414 30 20 DBED CC#CCN1C[C@@H](C)[C@H](CNC(=O)CN2CC(=O)NC2=O)C1 1102472854 YYVNMNXBFDSBBJ-VXGBXAGGSA-N 306.366 -0.754 30 20 DBED C[C@H](CNC(=O)[C@@H]1CNC(=O)N1)CNc1nccnc1C#N 1104183980 SZBDOTDYJDCOKM-WPRPVWTQSA-N 303.326 -0.806 30 20 DBED CC(C)[C@@H](CNC(=O)Cn1ncnn1)Nc1nccnc1C#N 1105234688 HNZHGIKFNGYPOW-LLVKDONJSA-N 315.341 -0.412 30 20 DBED C=CCNCc1cn(C2CN(C(=O)[C@@]3(C)CNC(=O)C3)C2)nn1 1105289972 NBOOJJVZWVTSLL-OAHLLOKOSA-N 318.381 -0.537 30 20 DBED CN(CCN(C)c1nccnc1C#N)C(=O)c1cnnn1C 1105393240 NXUJYBIJHVUYCT-UHFFFAOYSA-N 300.326 -0.315 30 20 DBED Cn1ccc(C(=O)NC[C@@H](O)CNc2cnc(C#N)cn2)c1 1105793080 WKSLGURHBKESMZ-LBPRGKRZSA-N 300.322 -0.110 30 20 DBED Cc1nccn1CC(=O)NC[C@H](O)CN=c1cc[nH]cc1C#N 1105866833 KTYZUKMCTNMKBL-CYBMUJFWSA-N 314.349 -0.531 30 20 DBED CN(C)[C@H](C(=O)NC[C@@H](O)CNc1ccc(C#N)nn1)C1CC1 1105995110 MXSYKEMBSHTCSC-JSGCOSHPSA-N 318.381 -0.423 30 20 DBED CC(C)(C(N)=O)C(=O)NC[C@H](O)CNc1ccc(C#N)nc1 1105997564 VJWMUSVJMSAZIQ-LLVKDONJSA-N 305.338 -0.646 30 20 DBED Cc1c[nH]c(C(=O)NC[C@H](O)CNc2cnc(C#N)cn2)n1 1106135097 LPFDHFKYQZCBON-SNVBAGLBSA-N 301.310 -0.417 30 20 DBED CCN(CCNc1nccnc1C#N)C(=O)CS(C)(=O)=O 1106686128 BNQFEIDTOOJEKK-UHFFFAOYSA-N 311.367 -0.347 30 20 DBED C#CCCN1CC(n2cc(CNC(=O)C(C)(C)C(N)=O)nn2)C1 1107180211 HFMVPUXTKYBLOT-UHFFFAOYSA-N 318.381 -0.714 30 20 DBED C[C@H](CC(=O)N[C@H](C)CNc1cnc(C#N)cn1)NC(N)=O 1107950596 OYKWPSLEGXVPMC-RKDXNWHRSA-N 305.342 -0.288 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)C2CCN(C(N)=O)CC2)C1 1108386930 LFFWZCBFFHULEV-INIZCTEOSA-N 322.409 -0.383 30 20 DBED C[C@@H](CNc1ccc(C#N)nn1)NC(=O)[C@]1(C)CCNC1=O 1108694084 BRCWQHSKJXVQBH-LKFCYVNXSA-N 302.338 -0.209 30 20 DBED C[C@@H](CN(C)c1nccnc1C#N)NC(=O)[C@H]1COCCN1C 1108942646 AUCNBJIFBQDFAJ-WCQYABFASA-N 318.381 -0.380 30 20 DBED C[C@H](CC(=O)NCC1(Nc2nccnc2C#N)CC1)NC(N)=O 1110237485 QSCRBDPNGNTVHD-SECBINFHSA-N 317.353 -0.144 30 20 DBED N#Cc1cncc(NC2(CNC(=O)[C@@H]3CC[C@@H]3C(N)=O)CC2)n1 1110300071 ODSAAZFFERNUMB-WDEREUQCSA-N 314.349 -0.080 30 20 DBED COCCC(=O)N[C@@]1(CO)CCCN(c2ccnc(C#N)n2)C1 1111329618 GRFNYSSJBPQTFR-HNNXBMFYSA-N 319.365 -0.168 30 20 DBED CCNC(=O)CC(=O)N(CCO)CCNc1ccc(C#N)nn1 1111453627 OWSJOXDPFTXTMJ-UHFFFAOYSA-N 320.353 -0.893 30 20 DBED C=CCN1C[C@@H]2CCC[C@]2(NC(=O)C[C@H](NC(C)=O)C(N)=O)C1 1111893543 GQINSAQCWYEJLC-XEZPLFJOSA-N 322.409 -0.477 30 20 DBED C#CCCCCC(=O)N1CCN(CCN2C(=O)CNC2=O)CC1 1112775437 VSLGDRQKLRBAKL-UHFFFAOYSA-N 320.393 -0.124 30 20 DBED CC(C)[C@@H]1OCC[C@H]1C(=O)N1CCN(CC(=O)NCC#N)CC1 1112939873 MFIFHYVIAZAMLQ-HIFRSBDPSA-N 322.409 -0.169 30 20 DBED C[C@H](NC(=O)Cn1cnnc1O)[C@H](C)Nc1cnc(C#N)cn1 1112978010 JCKUGSKRARXGFO-IUCAKERBSA-N 316.325 -0.349 30 20 DBED COCC#CCN1CCN(C(=O)COCc2ccnn2C)CC1 1113006903 GPVVAECYGJPWPN-UHFFFAOYSA-N 320.393 -0.269 30 20 DBED C=CCOCC(=O)NC1[C@H]2CN(CC(=O)N3CCCC3)C[C@H]12 1114051235 QYPJYPDCJRVQPH-STQMWFEESA-N 307.394 -0.142 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3coc(CC)n3)[C@H]2C1 1114158178 RALPRGLGXPVJFB-HBYGRHMLSA-N 316.361 -0.354 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3c[nH]c(C#N)c3)[C@H]2C1 1114163643 LCTCSGKPJAMJEG-NHAGDIPZSA-N 313.361 -0.151 30 20 DBED C#CCOCCC(=O)NC1[C@@H]2CN([C@@H](C)C(=O)NCCC)C[C@@H]12 1114262461 DPXCLLFMWUDXNI-BFHYXJOUSA-N 321.421 -0.013 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H]1[C@@H]2CN(Cc3nncn3C)C[C@@H]21 1114270423 FEBPWPCMZLKENE-NMKXLXIOSA-N 303.366 -0.600 30 20 DBED C=C(C)CN1C[C@@H]2C(NC(=O)CCCS(N)(=O)=O)[C@H]2C1 1114754500 CPAFUESWCXLVKO-QWRGUYRKSA-N 301.412 -0.322 30 20 DBED C[C@H](CN(C)C(=O)[C@H]1CCNC(=O)C1)N=c1cc[nH]c(C#N)n1 1115708537 FWOWOSGZUZTMJC-MNOVXSKESA-N 316.365 -0.445 30 20 DBED C=CCOC[C@@H](NC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)OC 1116886453 SLUNZGIGEDRCCK-NXEZZACHSA-N 305.352 -0.719 30 20 DBED N#CCNC(=O)CNC(=O)NC1CCN(C[C@H]2CCOC2)CC1 1117418279 ASJIFMPHCVJZCQ-GFCCVEGCSA-N 323.397 -0.574 30 20 DBED C#CCOCCNC(=O)C(=O)NCCC(=O)N1CCCCCC1 1117439087 OXPYQOVFWNFEHK-UHFFFAOYSA-N 323.393 -0.339 30 20 DBED C=CCCn1cc(C(=O)NCCCCS(N)(=O)=O)nn1 1118153786 GMWSTGRDBWZYAG-UHFFFAOYSA-N 301.372 -0.347 30 20 DBED N#CCCn1ccc(NC(=O)C(=O)N2CCC[C@@H]2C(=O)O)n1 1120856016 VMFNKDFVUSMYPG-SECBINFHSA-N 305.294 -0.189 30 20 DBED N#Cc1nc(=N[C@@H](CO)CNC(=O)[C@@H]2CCCCO2)cc[nH]1 1121455280 OYIGPTSZYARUGW-MNOVXSKESA-N 305.338 -0.772 30 20 DBED CN(C[C@H](O)CNc1ccc(C#N)nn1)C(=O)CN1CCCC1 1124352069 KPCMPXDKKYDYSV-CYBMUJFWSA-N 318.381 -0.325 30 20 DBED C=CCOCC(=O)NCCNCc1cc(=O)n2nccc2[nH]1 1124765125 LVCXNSCPAGKNLH-UHFFFAOYSA-N 305.338 -0.569 30 20 DBED C#CCNC(=O)CC(=O)NCCNCc1nc(C(C)C)no1 1125978653 WDSZXIUSJSZUDE-UHFFFAOYSA-N 307.354 -0.462 30 20 DBED O=C1N[C@H](C(=O)NCCNCC#Cc2ccc(F)cc2)CO1 1126548524 NDRMPMFSUCAHNG-ZDUSSCGKSA-N 305.309 -0.009 30 20 DBED N#Cc1nccnc1N1CC=C(CNC(=O)CNC(N)=O)CC1 1127546740 HPXAXPBDZADFLY-UHFFFAOYSA-N 315.337 -0.731 30 20 DBED C=C[C@@](C)(O)CC(=O)N1C[C@H](n2ccnn2)[C@H](NCCOC)C1 1129795941 VCSCTMUZAIBQDU-VNHYZAJKSA-N 323.397 -0.407 30 20 DBED CCOCC(=O)N1C[C@H](c2n[nH]c(C)n2)C2(CN(CC#N)C2)C1 1130456140 KMJCTAMORKPZPO-GFCCVEGCSA-N 318.381 -0.099 30 20 DBED C=CCN1C[C@H]2C[C@H]3CN(C(=O)CN(C)C(C)=O)C[C@@]3(C1)O2 1131194059 JYTXOPCNTCXIGT-SQWLQELKSA-N 307.394 -0.048 30 20 DBED C=CCOCC(=O)N1C[C@@H]2C[C@@H]3CN([C@H](C)C(N)=O)C[C@]2(C1)O3 1131197725 QEONIKVRZFAWNU-OQMKEHIESA-N 323.393 -0.636 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@H](OC)c1cnn(C)c1 1131873599 GAGVNNYVMSRBLA-CYBMUJFWSA-N 309.370 -0.884 30 20 DBED C#CCCCC(=O)N[C@@H]1CC[C@@H](C)N(CC(=O)NC(N)=O)C1 1131996222 RWZWDTDYBKUMQZ-VXGBXAGGSA-N 308.382 -0.046 30 20 DBED CC#CCN1C[C@@H](NC(=O)CS(=O)(=O)N(C)C)CC[C@H]1C 1132454535 YBMONRCRHYNAOP-OLZOCXBDSA-N 315.439 -0.130 30 20 DBED CC#CCCCC(=O)NCCNCCCN1C(=O)CNC1=O 1132593164 UFCHYPAMIFXDDC-UHFFFAOYSA-N 308.382 -0.172 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCCNCCOCCNC(C)=O 1134052930 GKNLSETWFCVPKW-KGLIPLIRSA-N 313.398 -0.564 30 20 DBED C=C(C)CN[C@H](C)C[C@@H](C)NC(=O)CNS(=O)(=O)N(C)C 1135569051 ZYZKBUUDLGEXEY-VXGBXAGGSA-N 320.459 -0.169 30 20 DBED C=CCNC(=O)CN1CCC2(C1)CN(C(=O)c1nc[nH]n1)C2 1148458280 LZOSYWCDGMKFKM-UHFFFAOYSA-N 304.354 -0.745 30 20 DBED COCC#CCN1CCC2(C1)CN(C(=O)COCCN(C)C)C2 1148605418 SCBZNSBPKMPVFU-UHFFFAOYSA-N 323.437 -0.251 30 20 DBED N#Cc1cccc(CNCCNC(=O)Cn2c(O)nnc2O)c1 1149141278 MHKIMNYRVLDYBQ-UHFFFAOYSA-N 316.321 -0.533 30 20 DBED COCC#CCN1CCCO[C@@H](CNC(=O)c2cc[nH]n2)C1 1149189322 RAAVYWVJACKGQC-ZDUSSCGKSA-N 306.366 -0.120 30 20 DBED COCC#CCN1CCCO[C@H](CNC(=O)Cn2cncn2)C1 1150699524 KTDMNXJDFSGNPF-CQSZACIVSA-N 321.381 -0.865 30 20 DBED N#CCNC(=O)CNCCCNC(=O)c1cccc2nccn12 1162427895 QVUKXARZLBCQHA-UHFFFAOYSA-N 314.349 -0.316 30 20 DBED N#CCNCCN(CCc1ccccc1)C(=O)CNC(N)=O 1162688348 HNUKDEVLCGQGAB-UHFFFAOYSA-N 303.366 -0.161 30 20 DBED C=CCNC(=O)CNCCCNC(=O)c1cn(C)nc1OC 1163809158 NXPCLTWSAGBSFA-UHFFFAOYSA-N 309.370 -0.560 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)c1cn(CC=C)nn1 1167847172 GLPFVTWFJZPPGE-LBPRGKRZSA-N 318.381 -0.689 30 20 DBED CN(C)[C@H]1CCC[C@@H](C(=O)NCCCNCC(=O)NCC#N)C1 1171161523 NUPPQXNMOKWALH-KGLIPLIRSA-N 323.441 -0.158 30 20 DBED C[C@H](CCCCNCC(=O)NCC#N)NC(=O)c1ncccn1 1175821817 WRYRMCJXNOXNJD-GFCCVEGCSA-N 318.381 -0.005 30 20 DBED COCC#CCNCCCNC(=O)c1ccc(C(N)=O)nc1 1177414498 CXLIMBVJNBJCIH-UHFFFAOYSA-N 304.350 -0.460 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)c2cncn2C)[C@H]1C 1179079367 ITGRCXKGJSFDRF-AGIUHOORSA-N 317.393 -0.249 30 20 DBED COCC#CCNCCCCCCNC(=O)CCn1cnnn1 1179891976 LIBJKTZYEYCEFE-UHFFFAOYSA-N 322.413 -0.021 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)CCn2cccn2)C1 1181021099 HFKMXSQGTKZDGM-CYBMUJFWSA-N 305.382 -0.234 30 20 DBED C[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)N2)C[C@@]1(C)CNCC#N 1183433474 VSHBRDLWNWCIIS-NQBHXWOUSA-N 314.411 -0.724 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2cncnc2O)C1 1183521563 KIZCITPHMCNAKC-WDEREUQCSA-N 317.349 -0.876 30 20 DBED C=CCOCC(=O)N1CC[C@H](N(C)[C@@H](C)C(=O)NC(N)=O)C1 1189371362 QCMBFMHYNOTKLO-QWRGUYRKSA-N 312.370 -0.695 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2coc(C)n2)C1 1189806958 FJOMVGRMQFEZAY-LBPRGKRZSA-N 304.350 -0.121 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@@H]1CCN(C(=O)c2cn(C)nn2)C1 1189962559 FMQDJUJCYIKSJB-NWDGAFQWSA-N 318.381 -0.901 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)[C@H](C)OCC=C)[C@@H]2C1 1190441678 YSEVCJLOLMPDSM-SOUVJXGZSA-N 319.405 -0.140 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)c2cc(C)n(C)n2)C1 1191377126 OCIMPDODFHVFOT-ZIAGYGMSSA-N 306.366 -0.847 30 20 DBED N#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C2C=CC=CC=C2)C1 1193344895 HLZDAJIBQPQFKS-ZIAGYGMSSA-N 316.361 -0.914 30 20 DBED C=CCOCC(=O)N1CCCN(Cc2nc(=O)n(C)[nH]2)CC1 1195314025 GKTKMJZXUNNEFX-UHFFFAOYSA-N 309.370 -0.655 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)c2cnnc(O)c2)CC1 1196223487 UYKSPIUEJASWQG-UHFFFAOYSA-N 317.349 -0.921 30 20 DBED CO[C@H]1CC[C@H](C(=O)N2CCCN(CC(=O)NCC#N)CC2)C1 1196376681 VJVYCQOTTAGART-KBPBESRZSA-N 322.409 -0.024 30 20 DBED C=CCNC(=O)NC(=O)CNC1CCN(C(=O)COC)CC1 1199002065 OGFDXCRXZBDGRL-UHFFFAOYSA-N 312.370 -0.775 30 20 DBED C=C(C)CNC[C@@H]1CN(C(=O)C[C@@H]2NC(=O)NC2=O)CCCO1 1200712126 DTUDTGVJLJNQEF-NEPJUHHUSA-N 324.381 -0.632 30 20 DBED C=CCNC[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)C2)CCCO1 1200911558 NGXCYSWGJCJMPB-CHWSQXEVSA-N 316.423 -0.186 30 20 DBED C#CCNC[C@@H]1CN(C(=O)c2ccnc(OC)n2)CCCO1 1200937559 KLKYTKSQNXDNCN-GFCCVEGCSA-N 304.350 -0.061 30 20 DBED C=CCCNC[C@H]1CN(C(=O)CN2CCNC(=O)C2)CCCO1 1201139449 VTKGDOYGOVZVMW-AWEZNQCLSA-N 324.425 -0.799 30 20 DBED C[C@@H]1CN(CCN2C(=O)CCC2=O)C[C@H]1NC(=O)C#CC1CC1 1206953132 SODQXGOKCIQZQT-TZMCWYRMSA-N 317.389 -0.015 30 20 DBED Cc1nc(O)[nH]c1C(=O)N1CCC[C@H](NCC(=O)NCC#N)C1 1208380527 FUQJXOWYLZYETI-JTQLQIEISA-N 320.353 -0.742 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)C2(C(N)=O)CC2)C1 1209346129 QESJOISBTZBUCT-VXGBXAGGSA-N 322.409 -0.477 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(Cc2n[nH]c(C)n2)C[C@H]1OC 1212194192 POTOTOYIXKOMNK-JMSVASOKSA-N 323.397 -0.244 30 20 DBED C#CCCN1C[C@@H](NC(=O)CCN2CCOCC2)[C@H](OC)C1 1213580788 IXLACUCPMZMAIA-HUUCEWRRSA-N 309.410 -0.453 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CN(Cc2ncnn2CCF)C[C@@H]1O 1219379060 MLEUVYRTKLBNHO-AXFHLTTASA-N 310.333 -0.931 30 20 DBED C#CCCCC(=O)N[C@@H]1CN([C@H]2CCN(CC)C2=O)C[C@@H]1O 1219539610 SSVNUBUYYLVYGM-RDBSUJKOSA-N 307.394 -0.428 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)c2c(C)ncn2C)C1 1219841304 IEWBWZJTKKANEX-OLZOCXBDSA-N 306.366 -0.847 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)CCN2C(=O)CCC2=O)C1 1219969349 VUALUXQJBNEPOH-NEPJUHHUSA-N 309.366 -0.737 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)COCc2ncc(C)o2)C1 1219980094 FGKLPUBHRNVFHN-OLZOCXBDSA-N 307.350 -0.316 30 20 DBED C=CCCCN1C[C@H](O)[C@H](NC(=O)c2nccnc2C(N)=O)C1 1220931619 AOQJYVZEQYKZII-MNOVXSKESA-N 319.365 -0.683 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@@H](CC)N2CCCC2=O)C1 1221007396 IMVBNEAEPMZVMD-MCIONIFRSA-N 307.394 -0.428 30 20 DBED COCC#CCN1CC[C@@H]2CN(C(=O)COCCN(C)C)[C@@H]2C1 1221947110 RUHWVYLBNAFACV-HZPDHXFCSA-N 323.437 -0.253 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)CO[C@@H]2CCOC2)CC1 1227352715 ISGIDAQMXZSJJH-CQSZACIVSA-N 323.393 -0.878 30 20 DBED N#CCN1CCS(=O)(=O)[C@H](CCNC(=O)c2ccncn2)C1 1230512503 RLOZLTDHEZZNFU-LLVKDONJSA-N 323.378 -0.781 30 20 DBED C=CCOCC(=O)N(C)C[C@@H]1CCN1[C@@H](C)C(=O)NC(N)=O 1231246897 IVQZSTLZHODIPF-QWRGUYRKSA-N 312.370 -0.695 30 20 DBED C#CCSCCNC(=O)C(=O)N(C)CCS(=O)(=O)CC 1261092648 KCFVGWTYQGLFLH-UHFFFAOYSA-N 320.436 -0.638 30 20 DBED CO[C@H]1CC[C@H](NC(=O)C(=O)N2CCN(CCC#N)CC2)C1 1261968586 JGUXLNPAYAGNSF-STQMWFEESA-N 308.382 -0.272 30 20 DBED C#CCN(C(=O)C(=O)N1CCC[C@@H](S(C)(=O)=O)C1)C(C)C 1262534936 UIFPGVYJCFUSQC-GFCCVEGCSA-N 314.407 -0.108 30 20 DBED C#CCNC(=O)CN1CC(CNC(=O)[C@H](C(C)C)N(C)C)C1 1318168817 JPMFCKXXAWEJNM-HNNXBMFYSA-N 308.426 -0.630 30 20 DBED C[S@](=O)c1ccc(CNC(=O)NCC(=O)NCC#N)cc1 1323853677 JLDFASZTELDQIY-NRFANRHFSA-N 308.363 -0.137 30 20 DBED N#CCOc1cccc(NC(=O)C(=O)NC[C@@]2(O)CCOC2)c1 1325157476 HYGRPZOJHXQRLH-HNNXBMFYSA-N 319.317 -0.205 30 20 DBED C=CCN(C(=O)C(=O)N1CCC(O)(CO)CC1)[C@@H](C)COC 1327399967 LXUWQMXEMTVWIM-LBPRGKRZSA-N 314.382 -0.618 30 20 DBED CN[C@@H]1CCN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1 1330568430 TVQNICJQNPXYQU-YPMHNXCESA-N 305.382 -0.995 30 20 DBED C#CC[C@H](CO)NC(=O)[C@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F 1332364448 CUHABWVCELKKMX-VGMNWLOBSA-N 313.297 -0.290 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N[C@@H]1CCCN(CC)C1=O 1333637261 GREVVHCRWKTSHN-CHWSQXEVSA-N 323.393 -0.342 30 20 DBED C#CCCCn1nnnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1334180320 QIMYUVSWLCMLJF-CYBMUJFWSA-N 318.381 -0.086 30 20 DBED C=CCOCCn1nnnc1N1CC[C@H](CS(C)(=O)=O)C1 1334713513 QZZRFKJZNCOJNQ-NSHDSACASA-N 315.399 -0.253 30 20 DBED N#CCN1CCC(NC(=O)C(=O)N2C[C@@H]3CCNC[C@@H]3C2)CC1 1336586334 HPBRKWXMNGKFTE-QWHCGFSZSA-N 319.409 -0.842 30 20 DBED CCN1CCN([C@@H](C)CNC[C@@H](O)CN(C)CCC#N)CC1 1336732924 IGYMPUPCLUQONQ-JKSUJKDBSA-N 311.474 -0.192 30 20 DBED C[C@@H]1CC(=O)NCCN1C(=O)CCN/C(O)=C1\N=CC=CC1=O 1339789513 PFAMOXRKALXIQM-KDGRRTAISA-N 320.349 -0.360 30 20 DBED C#CCOCCNC(=O)C(=O)NC[C@H]1CC2(CCNCC2)CO1 1350021679 XKFFOTXOFSKBPX-CYBMUJFWSA-N 323.393 -0.973 30 20 DBED CN(C)C(=O)[C@H]1CCN(C(=O)C(=O)N2CCC[C@H](C#N)C2)C1 1353072469 IPFXBPHIVXKXMT-NEPJUHHUSA-N 306.366 -0.315 30 20 DBED Cn1nccc1[C@@H]1C[C@@H](NC(=O)Cn2cnc(C#N)n2)CCO1 1362694491 RAVAZNCLDQERJV-JQWIXIFHSA-N 315.337 -0.080 30 20 DBED CCCNC(=O)[C@H](C)NC(=O)CCn1cc(C#N)c(O)nc1=O 1363847397 JAPYCLITZUCACP-VIFPVBQESA-N 321.337 -0.758 30 20 DBED CNC(=O)CN1CCN(C(=O)Nc2ccc(C#N)cn2)CC1 1366238564 FYELOUZVVHDFFG-UHFFFAOYSA-N 302.338 -0.151 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C)C(=O)c1ccoc1CC(N)=O 1387082127 QDGGCMCOBAGDQS-VIFPVBQESA-N 306.322 -0.345 30 20 DBED CCCN(C(=O)CNC(=O)NC)[C@@H]1CCN(C(=O)[C@@H](C)C#N)C1 1398430068 POGQOMYRCOGOLH-NWDGAFQWSA-N 323.397 -0.085 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1ncc2n1CCCC2 1399822430 GJKBCXPLDMETHI-ZYHUDNBSSA-N 319.365 -0.414 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](CNC(=O)CCn1cncn1)C1CC1 1407588980 LDQSWBQABICQCH-CMPLNLGQSA-N 304.354 -0.161 30 20 DBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@H]1CO 1412700843 DHQGMZGDDIZHHI-JQWIXIFHSA-N 323.374 -0.182 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N1CCN(c2nc[nH]n2)CC1 1413432107 WGIMMLMSOIQNHA-SNVBAGLBSA-N 313.387 -0.737 30 20 DBED N#Cc1cccc(CNC[C@@H](O)CNC(=O)[C@@H]2COC(=O)N2)c1 1420111813 NCWGPXJJCIXOOS-OLZOCXBDSA-N 318.333 -0.767 30 20 DBED COCC1(CC(=O)N(C)C[C@@H](O)CNC(=O)[C@H](C)C#N)CC1 1425784167 JDPZGLDDXWGDCR-NEPJUHHUSA-N 311.382 -0.102 30 20 DBED C[C@@H](C#N)C(=O)NC1CN(C(=O)[C@H](C)CS(C)(=O)=O)C1 1430290335 LCTVHKDJOTZDDC-DTWKUNHWSA-N 301.368 -0.846 30 20 DBED C[C@@H](C(=O)NCCn1cc(C#N)c(O)nc1=O)c1cnn(C)c1 1434207906 PIULKZMULIWESW-SECBINFHSA-N 316.321 -0.526 30 20 DBED CNC(=O)Cc1nc(Cn2c(=O)c(C#N)cn(C)c2=O)cs1 1434453933 UVHWVXPKVFUQMO-UHFFFAOYSA-N 319.346 -0.788 30 20 DBED C=C(Cl)CNC[C@H]1CN(C(=O)CCNC(N)=O)CCO1 1447305467 LGBVUVDCLBCVIE-JTQLQIEISA-N 304.778 -0.386 30 20 DBED C[C@H](C#N)C(=O)NC1CN(C(=O)c2ccc3nnc(O)n3c2)C1 1456396579 ORZMBOYBGGNTOZ-MRVPVSSYSA-N 314.305 -0.465 30 20 DBED CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)Nc1nn(C)cc1C#N 1476217266 FLQJQNUIORNVQG-RKDXNWHRSA-N 313.339 -0.775 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNCc1noc2c1COCC2 1482717083 WNXYXHINVIYHOV-UWVGGRQHSA-N 308.338 -0.526 30 20 DBED C[C@@]1(C#N)CN(S(=O)(=O)N2CCN(C(=O)O)CC2)CCO1 1573590868 YIMUDGRPJGSAKO-LLVKDONJSA-N 318.355 -0.859 30 20 DBED CCn1cc(-c2nn[nH]n2)c(=O)n(Cc2cc(C#N)ccn2)c1=O 1578736145 RNENNRJKFLXPOF-UHFFFAOYSA-N 324.304 -0.475 30 20 DBED C#CC1(O)CCN(S(=O)(=O)N2CCC(C(=O)O)CC2)CC1 1588386660 UFFUNEABNCEOFB-UHFFFAOYSA-N 316.379 -0.512 30 20 DBED C#CCN(CC(=O)O)C(=O)NC[C@@H]1CCN1C1CCOCC1 1588408381 KERJRZDFXKZZGK-ZDUSSCGKSA-N 309.366 -0.031 30 20 DBED CCCCCNC(=O)Cn1c(N)nc(C#N)c1-c1nn[nH]n1 1590599507 ZGTJYERPLXQGQH-UHFFFAOYSA-N 303.330 -0.177 30 20 DBED C#C[C@@H]1CCCN(C(=O)C(=O)NC2CCN(CC(=O)O)CC2)C1 1602674776 DBNAAJGTMXZQAB-GFCCVEGCSA-N 321.377 -0.477 30 20 DBED C=C[C@@H](COC)NC(=O)N1CCO[C@](COC)(C(=O)O)C1 1602717685 XXGWWKPLXACJTL-GXFFZTMASA-N 302.327 -0.301 30 20 DBED C=CCCOCCNC(=O)C(=O)N1CCO[C@H](CC(=O)O)C1 1602880886 KHQUHRLZZZOXNY-LLVKDONJSA-N 314.338 -0.603 30 20 DBED C=CCNC(=O)CNS(=O)(=O)[C@@H]1CCCC[C@@H]1C(=O)O 1602901825 XSXUVUQMIRZXOJ-VHSXEESVSA-N 304.368 -0.149 30 20 DBED C[C@H](C#N)N(C(=O)[C@@H](C)n1cnc(-c2nn[nH]n2)n1)C1CC1 1602989188 PUSCGWNAQGWIIA-HTQZYQBOSA-N 301.314 -0.078 30 20 DBED COCC[C@H](NS(=O)(=O)c1ccc(CC#N)cc1)C(N)=O 1647128432 QUHWHODXYHOMRY-LBPRGKRZSA-N 311.363 -0.079 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@@H](NC(=O)c2cn(C)cn2)C1 1713081948 QKJQMNPHHSVOFS-VXGBXAGGSA-N 303.366 -0.638 30 20 DBED N#CCNC(=O)CN[C@H]1CCN(C(=O)CCCN2CCCC2)C1 1713151740 FMGWAGGTCVKVDA-AWEZNQCLSA-N 321.425 -0.307 30 20 DBED C#CCNC(=O)CN[C@@H](CNC(=O)c1cncnc1)C1CC1 1752458100 LTIBCBJCYGNPRM-ZDUSSCGKSA-N 301.350 -0.676 30 20 DBED C#CCNC[C@H]1CCCN(C(=O)[C@@H](C)N2C(=O)CCC2=O)C1 1752798482 AVJQADMKVWJTPE-CHWSQXEVSA-N 305.378 -0.015 30 20 DBED C#CCOCCC(=O)NC1CCC(NCC(=O)NC(N)=O)CC1 1752848074 HXAGJIURCRBLJG-UHFFFAOYSA-N 324.381 -0.762 30 20 DBED CCN(CC#CCOC)CCNC(=O)C[C@H]1CCN(C)C1=O 1753084720 ARLFXGPVRCAQJR-CQSZACIVSA-N 309.410 -0.057 30 20 DBED C#CCNC(=O)[C@@H](C)NC/C=C\CNC(=O)c1coc(OC)n1 1754153811 MZJATZHIKYKPJZ-ISALQUGTSA-N 320.349 -0.303 30 20 DBED C=CCn1cc(C(=O)N[C@H](C)CN(C)[C@H](CC)C(N)=O)nn1 1754326244 FZUAFULFMRQCAT-ZYHUDNBSSA-N 308.386 -0.222 30 20 DBED C#CCN1CC(O)(CNC(=O)COc2cccc(OC)c2)C1 1754775494 UDHRJDFSHJVTJZ-UHFFFAOYSA-N 304.346 -0.130 30 20 DBED Cc1nccn1CC(=O)N1C[C@@H](C)[C@@H](NCC(=O)NCC#N)C1 1755122940 VSNLPWMSZIWZQU-YPMHNXCESA-N 318.381 -0.732 30 20 DBED C#CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)CNC(=O)NC 1755185999 BMCXXDHSIJQEEK-UKRRQHHQSA-N 300.362 -0.080 30 20 DBED CN(CC(=O)NCC#N)C1CCN(C(=O)Cn2ccnc2)CC1 1755536641 BIZFASJVKMIKQC-UHFFFAOYSA-N 318.381 -0.554 30 20 DBED CC#CCCCC(=O)NC[C@@H](CO)NC(=O)c1cccnn1 1756543383 OZLJLTLJWTUHKU-LBPRGKRZSA-N 304.350 -0.123 30 20 DBED C=CCCOCC(=O)N[C@@H]1C[C@H](C)N(C(=O)CNC(C)=O)C1 1756576415 SCUFGUCELFCCOM-WCQYABFASA-N 311.382 -0.179 30 20 DBED C=C[C@@](C)(O)CC(=O)N(C)C[C@H](O)CN(C)C(=O)c1cn[nH]c1 1756682856 DUODKFGLRYUGGK-SWLSCSKDSA-N 324.381 -0.372 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(C(=O)C2CCCC2)C[C@@H]1O 1757174161 UZEYSYZWROYMRF-BNOWGMLFSA-N 308.378 -0.097 30 20 DBED CNC(=O)C1(C(=O)N[C@H]2CCN(C(=O)[C@@H](C)C#N)[C@@H]2C)CC1 1757526782 XONBISSZSYHLOH-AXFHLTTASA-N 306.366 -0.222 30 20 DBED CC(=O)NCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC#N 1795083786 ROWWFGILJLTYKC-JJLQDPRZSA-N 322.365 -0.984 30 20 DBED O=C(N[C@H](Cc1ccccc1)C(=O)N1CCOCC1)[C@@H]1CO1 1887573919 ZVTKJOKXJYUSKA-KGLIPLIRSA-N 304.346 -0.029 30 20 DBED N#Cc1cc(F)c(N2CCN3C(=O)C(=O)NC[C@H]3C2)c(F)c1 151948475 XWORQDYNJBORNR-VIFPVBQESA-N 306.272 -0.017 30 20 DBED C[C@](CO)(CNS(=O)(=O)c1ccc(C#N)o1)CC(=O)O 287607571 RNMPYGXRCXMYBG-LLVKDONJSA-N 302.308 -0.097 30 20 DBED CC(C)(C)N1C[C@@H](NC(=O)NCCn2cnc(C#N)n2)CC1=O 288391813 AHMKVFNOLIZDEJ-JTQLQIEISA-N 319.369 -0.152 30 20 DBED CN(C)S(=O)(=O)N(CC#N)Cc1nnnn1-c1ccccc1 289640297 FNNVJEMTCKAZFM-UHFFFAOYSA-N 321.366 -0.206 30 20 DBED CNS(=O)(=O)N1CCN(C(=O)c2ccc(CC#N)cc2)CC1 294440088 XUBJQKQTEAUVRM-UHFFFAOYSA-N 322.390 -0.025 30 20 DBED C#CCCN1CCN(C(=O)CCC(=O)N2CCOCC2)CC1 299319015 MAMGVCIHRQVZFB-UHFFFAOYSA-N 307.394 -0.207 30 20 DBED O=C1CCCN1[C@@H]1CCN(/C(O)=N/CCN2CCN=C(O)C2)C1 330034590 BDJWKLXJGQZDQR-GFCCVEGCSA-N 323.397 -0.131 30 20 DBED CC1(C)C[C@@]1(C#N)NC(=O)CN1CCN(S(C)(=O)=O)CC1 332104449 CNDQLNLQXAURPM-ZDUSSCGKSA-N 314.411 -0.628 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)NC[C@@H]2COCCO2)cc1 339154796 MQXJBRWWAJLLRZ-CYBMUJFWSA-N 303.318 -0.180 30 20 DBED C=CCNC(=O)NC(=O)CN1CCC[C@@H](c2nc(O)n[nH]2)C1 377485407 QBMIWRGCMLFWMC-SECBINFHSA-N 308.342 -0.299 30 20 DBED CC1CCC(NS(=O)(=O)CC(=O)NCC#CCO)CC1 412324809 QIOAMXIKEOWADH-UHFFFAOYSA-N 302.396 -0.404 30 20 DBED N#Cc1cc(F)ccc1NC(=O)C(=O)N1C[C@@H](O)C[C@H]1CO 442261736 PKPJIYXUVJTZEH-QWRGUYRKSA-N 307.281 -0.410 30 20 DBED C#CCC[C@@H](O)CNC(=O)C1(O)CN(C(=O)OC(C)(C)C)C1 496121957 KMMSTLLNISLYTR-LLVKDONJSA-N 312.366 -0.141 30 20 DBED N#CC1(CS(=O)(=O)N[C@@H](CCC(N)=O)C(=O)O)CCCC1 548243240 OFVFNPRUOZZCRU-VIFPVBQESA-N 317.367 -0.292 30 20 DBED CN(CCCc1[nH]nc(N)c1C#N)CC(=O)NC[C@H]1CCCO1 557052943 RFXAFVCKOAHKCP-LLVKDONJSA-N 320.397 0.023 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@@H](N)c2cscn2)CC1 563718074 QBGWGTNWLGQXAJ-ZDUSSCGKSA-N 323.422 -0.411 30 20 DBED C=CCN1CCC(NC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CC1 582797814 ZOSHYZWMLLSLSS-KBPBESRZSA-N 321.425 -0.410 30 20 DBED CN(CCNC(=O)C(=O)NC1CCN(CC#N)CC1)C1CC1 585779735 NUIGCCUWBQVHTR-UHFFFAOYSA-N 307.398 -0.699 30 20 DBED CCOC(CN=c1cc[nH]c(C#N)n1)CN=c1cc[nH]c(C#N)n1 594574534 BTNUTDYSNHJWKV-UHFFFAOYSA-N 324.348 -0.217 30 20 DBED C[C@@H]1[C@@H](CO)CCCN1S(=O)(=O)N1CCO[C@H](C#N)C1 594783544 QSCDKMDXOAIJCK-IJLUTSLNSA-N 303.384 -0.452 30 20 DBED CN(C)C1(CS(=O)(=O)N2CCN(CCC#N)CC2)CC1 601534800 FXGFSCCIWXNZFV-UHFFFAOYSA-N 300.428 -0.058 30 20 DBED Cn1c(=O)sc2cc(S(=O)(=O)NCC#CCO)ccc21 632516199 VWQZIKZIRLDHGL-UHFFFAOYSA-N 312.372 -0.126 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCNC(=O)C[C@@H]1C 644844516 ZRTZVTHVZIXQPX-SCRDCRAPSA-N 323.393 -0.179 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H](S(=O)(=O)NCC)C2)nn1 648850748 GZSZFXVQZWXUAS-JTQLQIEISA-N 313.383 -0.382 30 20 DBED C=C[C@H](CO)NCC(=O)NCc1ccc(OCC(N)=O)cc1 662167609 BJAISBKFNUGYSZ-GFCCVEGCSA-N 307.350 -0.697 30 20 DBED C=CCNC(=O)CNC(=O)[C@H]1CNC(=O)C[C@@H]1C(F)(F)F 821753206 IJJGXRDCPQWMJD-YUMQZZPRSA-N 307.272 -0.281 30 20 DBED CCOC(=O)[C@@H]1CCCN(C(=O)CN(CC#N)CC(=O)O)C1 829833278 ZLZIHIBVYJCZLM-LLVKDONJSA-N 311.338 -0.302 30 20 DBED CC(C)[C@H](C(=O)N[C@H]1CNC[C@H]1C#N)N1CCCS1(=O)=O 834500460 TZBZSXYTAKVKPO-GRYCIOLGSA-N 314.411 -0.726 30 20 DBED CC(C)(C)C#CC(=O)NCCN1CCN(S(C)(=O)=O)CC1 837361014 XHIFCWJPMMKFEU-UHFFFAOYSA-N 315.439 -0.271 30 20 DBED C#CCOc1ccccc1NC(=O)C(=O)NCC(=O)NOCC 846132712 ACYCJQXYJGEUGD-UHFFFAOYSA-N 319.317 -0.179 30 20 DBED N#Cc1ccc(N2CCN(C(=S)NCC(N)=O)CC2)cn1 871678745 KKQZAHGCVPAANR-UHFFFAOYSA-N 304.379 -0.565 30 20 DBED N#C[C@H]1CNC[C@H]1NC(=O)c1ccc(CN2CCOCC2)o1 884250385 CYGBSZVMKBYZMK-WCQYABFASA-N 304.350 -0.047 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCN(C)C(C)(C)C1)[C@H]1CCCO1 898003871 SEYAQYSYLUAJRL-QWHCGFSZSA-N 307.394 -0.164 30 20 DBED C#CCNCC(=O)Nc1ccc(C(=O)NCC(=O)OC)cc1 912114925 MATZKXRIBDVLQC-UHFFFAOYSA-N 303.318 -0.249 30 20 DBED CN(C)CC#CCNC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O 913515564 CALXKNDBXYLYJW-HNNXBMFYSA-N 306.366 -0.612 30 20 DBED CCOCCCNC(=O)[C@@H](C#N)C(=O)CCN1C(=O)CCC1=O 916868532 SIHVDKAPUOFFSZ-NSHDSACASA-N 323.349 -0.223 30 20 DBED C=C(Br)CNC(=O)CN1CCN(CC)C(=O)C1=O 921042618 OVQQSOAJOHBPGH-UHFFFAOYSA-N 318.171 -0.298 30 20 DBED CN1C[C@H](C(=O)N(C)[C@@H]2CCN(C(=O)C#CC3CC3)C2)CC1=O 937349476 HEKCELMEQQPCCV-ZIAGYGMSSA-N 317.389 -0.063 30 20 DBED C=C1CC(C)(C(=O)N2C[C@H]3C[C@H]2[C@H]3NC(=O)c2nnn(C)n2)C1 947771025 ZUQJKRGFIRRUNG-VWYCJHECSA-N 316.365 -0.105 30 20 DBED C#CCN1CC[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)C[C@@H]1C 947985437 LMMAZGVWYWHKNR-WCQYABFASA-N 305.382 -0.507 30 20 DBED C#CCN1CCOC2(CCN(C(=O)[C@H]3CC(=O)N(C)C3)CC2)C1 949378901 CYTFIKIZSYOLAL-AWEZNQCLSA-N 319.405 -0.209 30 20 DBED O=C1NCCC[C@@H]1C(=O)NC[C@@H]1CCN1C(=O)C#CC1CC1 950496512 IEWSQRWESBTQCV-STQMWFEESA-N 303.362 -0.357 30 20 DBED C#CCN1CC(N(CC)C(=O)C2CC3(C2)CS(=O)(=O)C3)C1 950616194 TWNMJPWKSUADOH-UHFFFAOYSA-N 310.419 -0.023 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H](NC(=O)c2cc(C(N)=O)c[nH]2)C1 951868481 TUQSEFQICUEPPI-ONGXEEELSA-N 317.349 -0.006 30 20 DBED C[C@@H](C#N)C(=O)N1CC(N(C)C(=O)c2nccnc2C(N)=O)C1 954247543 YYZQAVVCSHLTFS-QMMMGPOBSA-N 316.321 -0.982 30 20 DBED Cn1cnc2cc(C(=O)NC[C@H]3CN(CC#N)C[C@@H]3O)cnc21 958318528 DURVLMPKQIQQSQ-AAEUAGOBSA-N 314.349 -0.486 30 20 DBED C=CCN1C[C@H](CNC(=O)c2ccc(N(C)C)nn2)[C@@H](O)C1 958597813 GFWTVFOZDZPEKR-AAEUAGOBSA-N 305.382 -0.249 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2cnn3ccc(C)nc23)C1 958599955 WCRGYHHOURKDKI-OCCSQVGLSA-N 313.361 -0.307 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2[C@@H]3CN(Cc4nnnn4C)C[C@@H]32)cn1 962338715 CZWIYRZBMDJEHB-NHAGDIPZSA-N 323.360 -0.553 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)CC(N)=O)CC[C@H]2C1 967328805 JWSKFQGPMDYDJK-SDDRHHMPSA-N 306.366 -0.282 30 20 DBED CCn1nc(C)cc1C(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1O 970887071 OCOUYDVWWMTARE-NDMJEZRESA-N 319.365 -0.327 30 20 DBED C#CCCN1CCCC2(C1)CN(C(=O)C1CS(=O)(=O)C1)C2 981789393 FXLBCSOWAUMXOG-UHFFFAOYSA-N 310.419 -0.021 30 20 DBED C#CCN1CCN(C(=O)N2CCN(C(=O)COC)CC2)CC1 985825322 MKXQTHOROHQFKV-UHFFFAOYSA-N 308.382 -0.852 30 20 DBED C#CCN[C@H]1C[C@H](C)N(C(=O)c2cc(=O)n3[nH]cnc3n2)C1 989671783 DYQSQEKPMVAQQZ-UWVGGRQHSA-N 300.322 -0.757 30 20 DBED C=CCN1CC[C@H](N[C@@H]2CN(C(=O)CC(N)=O)CC2(C)C)C1=O 995567963 VIMSBTDWPATNTO-NWDGAFQWSA-N 322.409 -0.525 30 20 DBED Cn1cc(C(=O)NCC2CN(C(=O)c3cc(C#N)c[nH]3)C2)nn1 1001714198 ARPBNXJPHFWKOL-UHFFFAOYSA-N 313.321 -0.483 30 20 DBED CC#CCN1CCC(NC(=O)[C@H]2COCCN2C(C)=O)CC1 1004177458 YWPNYOZAUMRJQL-OAHLLOKOSA-N 307.394 -0.162 30 20 DBED C[C@H]1[C@@H](NC(=O)[C@@H]2COC(=O)N2)CCN1C(=O)C#CC1CC1 1020249269 WAIJVLBLVVYSAE-DLOVCJGASA-N 305.334 -0.386 30 20 DBED C#CCN[C@@H]1CC[C@@H]2CN(C(=O)CCN3C(=O)CCC3=O)C[C@@H]21 1026305685 CXUFCYCFEUIJHN-HZSPNIEDSA-N 317.389 -0.015 30 20 DBED C#CCN[C@@H]1CC[C@H]2CN(C(=O)CCn3ncn(C)c3=O)C[C@@H]21 1026314515 CNOZZIVNQKCWEH-MELADBBJSA-N 317.393 -0.568 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)[C@@H]1COCCN1C 1026364472 RKWWSOZMWIRZCT-YUELXQCFSA-N 319.405 -0.307 30 20 DBED N#Cc1cc(C(=O)N2CC[C@H](CNCc3nc(O)n[nH]3)C2)c[nH]1 1026794193 GAVWKIADOKIJJQ-SECBINFHSA-N 315.337 -0.038 30 20 DBED C#CCCN1CC[C@H](CNC(=O)c2cn(C)c(=O)n(C)c2=O)C1 1028840703 KIRJPWCZRZJATI-GFCCVEGCSA-N 318.377 -0.841 30 20 DBED N#Cc1c[nH]c(C(=O)NC2CN(CC(=O)N3CCOCC3)C2)c1 1030197445 ZYCOBWCOUYAJLI-UHFFFAOYSA-N 317.349 -0.841 30 20 DBED C[C@@H](c1nnnn1C)N1CC(NC(=O)c2ccc(C#N)[nH]2)C1 1030225889 IZTHOQNTGCSVCA-QMMMGPOBSA-N 300.326 -0.415 30 20 DBED C#CCCN1CC(NC(=O)[C@@H]2COCCN2CC(F)F)C1 1030742361 MLWGWHLXDHYDRE-LBPRGKRZSA-N 301.337 -0.224 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)c3coc(OC)n3)C2)C1=O 1030750632 JBSQNWZADNXYGG-GFCCVEGCSA-N 320.349 -0.116 30 20 DBED N#CCN1C[C@@H]2C[C@H]1CN2C(=O)Cn1nnc(-c2ccco2)n1 1032492838 ALTBZYPXGPIURD-QWRGUYRKSA-N 313.321 -0.258 30 20 DBED Cn1[nH]c(CN2CC[C@@H]2CNC(=O)c2ccc(C#N)[nH]2)nc1=O 1038170589 UFLBHPPWAUVSLM-SNVBAGLBSA-N 315.337 -0.688 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2CCN2Cc2n[nH]c(C)n2)nn1 1038791439 POWNIRKFJHBCPV-LLVKDONJSA-N 316.369 -0.105 30 20 DBED N#CCSCC(=O)N1CC[C@](O)(CNC(=O)c2ncc[nH]2)C1 1039659952 LRJRXDRRIODATJ-ZDUSSCGKSA-N 323.378 -0.640 30 20 DBED CC[C@H](OC)C(=O)N1CC[C@@](O)(CNC(=O)C#CC2CC2)C1 1039677683 KYEZINVWKXAMBC-XJKSGUPXSA-N 308.378 -0.096 30 20 DBED C[C@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)CSCC#N)C1 1040759705 CIGBALACJPXYDM-ZWNOBZJWSA-N 310.379 -0.518 30 20 DBED Cc1nc(C)c(C(=O)NC[C@@]2(O)CCN(C(=O)[C@H](C)C#N)C2)[nH]1 1040940262 IEWDIFPPDQPCGE-PSLIRLAXSA-N 319.365 -0.121 30 20 DBED N#Cc1cnccc1N1C[C@@H](O)[C@H](NC(=O)Cc2cncnc2)C1 1040999990 QUCSHNBCQDLEQY-UKRRQHHQSA-N 324.344 -0.348 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)c3cc(F)c[nH]3)C2)nn1 1041258802 VEAUAGFHNJQKMW-VXGBXAGGSA-N 316.296 -0.205 30 20 DBED CC#CCN1CC[C@@]2(CCN(C(=O)[C@@H]3CN(C)C(=O)N3)C2)C1 1041544496 OBGFYEUGOLELHH-XJKSGUPXSA-N 304.394 -0.042 30 20 DBED N#CCN1CC[C@@]2(CCN(C(=O)CN3CCC(=O)NC3=O)C2)C1 1041776259 YBWPTRKIQIECTN-OAHLLOKOSA-N 319.365 -0.624 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)c2ccc(O)nc2)C1 1042052404 JCHILZTTZHDCIL-UHFFFAOYSA-N 321.333 -0.707 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)c2cn(C)cn2)C1 1042554560 MWNWNVZGPJYJIJ-UHFFFAOYSA-N 306.366 -0.065 30 20 DBED CCO[C@@H](C(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1)C1CC1 1042960452 JTJPXEKUTRENGF-OAHLLOKOSA-N 320.389 -0.096 30 20 DBED C[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1N=c1cc[nH]c(C#N)n1 1043161642 JISQOQDAZMGOTL-NXEZZACHSA-N 312.337 -0.529 30 20 DBED C=C(C)CCN1CC(N(C)C(=O)CN2CCN(C)C(=O)C2)C1 1043163717 VARCVOSVLYHSKL-UHFFFAOYSA-N 308.426 -0.131 30 20 DBED C[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)C[C@H]1N=c1cc[nH]cc1C#N 1043475864 YDMDYKKCCAWUSZ-OASPWFOLSA-N 314.349 -0.685 30 20 DBED C=CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)Cc2ccon2)C1 1043569733 CORYFCIXZIZCSX-LLVKDONJSA-N 323.349 -0.502 30 20 DBED C=CCC(CC=C)C(=O)N1CC(O)(CNC(=O)c2nc[nH]n2)C1 1044783227 VRKXJSNIEJMLKG-UHFFFAOYSA-N 319.365 -0.124 30 20 DBED CC#CCCCC(=O)NCC1(O)CN(C(=O)CN(C)C(C)=O)C1 1045002799 GVVNWESUCOVWIP-UHFFFAOYSA-N 323.393 -0.652 30 20 DBED C=C[C@H](C)[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2cnon2)C1 1045197247 OUQFAWWALXDVPE-VHSXEESVSA-N 308.338 -0.169 30 20 DBED CCc1cc(C(=O)N2CC(O)(CNC(=O)[C@@H](C)C#N)C2)nn1C 1045564257 FJQGANNBLNHXPR-JTQLQIEISA-N 319.365 -0.555 30 20 DBED C#CCN1CCC(C)(NC(=O)c2cn(C)c(=O)nc2O)CC1 1045638727 MLXXNYYNQJADKC-UHFFFAOYSA-N 304.350 -0.297 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)[C@H](C)OCCOC)C1 1046971139 IRAIUUKRPVAUEW-LBPRGKRZSA-N 314.382 -0.306 30 20 DBED C=C(C)CN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2COCCN2CC)C1 1047434395 VCPRFZUWUBKUNK-KKUMJFAQSA-N 311.426 -0.213 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3nccn3c2)C1 1047456331 AERBHWLYHZPMFG-KBPBESRZSA-N 313.361 -0.130 30 20 DBED CN(C(=O)[C@@H]1COc2ccccc2O1)[C@H]1CN(CC#N)C[C@@H]1O 1047618359 CQONNVHFFLSNBT-HUBLWGQQSA-N 317.345 -0.147 30 20 DBED CC(C)C(=O)N1CCC[C@H]1C(=O)N(C)[C@H]1CN(CC#N)C[C@@H]1O 1047631768 TUFSLIXWJLCHNO-IHRRRGAJSA-N 322.409 -0.340 30 20 DBED CO[C@@H](C)C(=O)N(C)[C@H]1CN(C(=O)CSCC#N)C[C@@H]1O 1048415240 SCCVAPCSAWVTTH-DCAQKATOSA-N 315.395 -0.692 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)CC2=CCOCC2)C[C@@H]1O 1049394659 MLZDXCDVMWTEIK-XBFCOCLRSA-N 321.377 -0.087 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1O 1049402672 VRJNSHIFBHFPTI-AGIUHOORSA-N 322.409 -0.340 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)c1ccc2nc(O)[nH]c2n1 1051089429 LOPGIXWUWFISAV-JTQLQIEISA-N 315.333 -0.273 30 20 DBED C=CCOCC(=O)N1C[C@@H](C)[C@H](CNC(=O)CNC(C)=O)C1 1052213512 FUHXUQWWQLGALE-DGCLKSJQSA-N 311.382 -0.464 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)[C@H](C)S(C)(=O)=O)CCO2 1053309360 FMLFPTMOTXGZLD-LBPRGKRZSA-N 314.407 -0.644 30 20 DBED C=C(Cl)CN1CC2(C[C@@H](NC(=O)Cn3cnnn3)CO2)C1 1053733082 MIBSJDASMCTBDH-SNVBAGLBSA-N 312.761 -0.615 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)[C@@H]3CN(CC)CCO3)CO2)C1 1054015082 YINDIWJTKSMJEZ-KGLIPLIRSA-N 307.394 -0.700 30 20 DBED CC(C)(C)C#CC(=O)N1C[C@H]2CN(C(=O)CNC(N)=O)C[C@H]2C1 1055156050 RMNBULHCTHTJST-TXEJJXNPSA-N 320.393 -0.379 30 20 DBED Cc1nc(CC(=O)N2CCN(c3nccnc3C#N)CC2)n[nH]1 1055798392 DSMNXZXAHGOACH-UHFFFAOYSA-N 312.337 -0.334 30 20 DBED N#Cc1nccnc1N1C[C@H]2C(NC(=O)CN3CCCC3)[C@@H]2C1 1056224487 BCRFTIANCSPTGF-VXGBXAGGSA-N 312.377 -0.005 30 20 DBED N#Cc1cnc(N2C[C@H]3[C@H](NC(=O)C45CCN(CC4)C5)[C@H]3C2)cn1 1056265984 KLWHMBXZVDSDMJ-NHAGDIPZSA-N 324.388 -0.005 30 20 DBED CS[C@@H](C)C(=O)N(CCO)CCNC(=O)CSCC#N 1057054423 ZCFVNIXODRCHCD-JTQLQIEISA-N 319.452 -0.068 30 20 DBED N#Cc1ccc(C(=O)NCCN(CCO)C(=O)[C@@H]2CCOC2)[nH]1 1057145884 LAYGMENHLLJCBW-LLVKDONJSA-N 320.349 -0.526 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)[C@H](OC)C(C)C 1058718247 ZTOMSMRFFFFRPO-CQSZACIVSA-N 316.398 -0.203 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)c1cccc(=O)n1C 1058778661 JJCCDVFGTRHJRC-NSHDSACASA-N 320.349 -0.904 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)C12CCN(CC1)C2 1061847525 LPKWKZJXRHWTLC-STQMWFEESA-N 320.393 -0.415 30 20 DBED Cc1ccn(CC(=O)NC[C@@H]2COCCN2C(=O)[C@H](C)C#N)n1 1061912300 UYJUKAKZQLJYNA-DGCLKSJQSA-N 319.365 -0.305 30 20 DBED CN(C[C@@H]1CCN(C(=O)CC(N)=O)C1)c1cnc(C#N)cn1 1062099722 ITDKLTOMBHLLNK-JTQLQIEISA-N 302.338 -0.492 30 20 DBED CN(C(=O)Cn1cnnn1)[C@H]1CCN(c2cncc(C#N)n2)C1 1062882643 ATWFGLOWXPGOTB-NSHDSACASA-N 313.325 -0.928 30 20 DBED C[C@H](Nc1cncc(C#N)n1)[C@@H]1CCCN(C(=O)C(N)=O)C1 1063904321 JNRRUKGGFYKCNI-VHSXEESVSA-N 302.338 -0.127 30 20 DBED N#Cc1ccc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)Cn2nccn2)nn1 1064301054 MTNLKXXSOLTLPC-OLUVUFQESA-N 310.321 -0.667 30 20 DBED C[C@@H](CC(=O)NC1(CNC(=O)[C@H](C)C#N)CCC1)NC(N)=O 1064306260 FQICTMJFLVVGCU-ZJUUUORDSA-N 309.370 -0.252 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)Cc2cc[nH]n2)CCO1 1065005167 PCTQIPAUNCUHCR-ZDUSSCGKSA-N 322.365 -0.502 30 20 DBED C=CC(C)(C)C(=O)NC[C@@H]1CN(C(=O)c2ncn(C)n2)CCO1 1065116390 UMQRDOBPUSGDRA-LLVKDONJSA-N 321.381 -0.016 30 20 DBED C[C@@]1(CNc2cnc(C#N)cn2)CCN(C(=O)CC(N)=O)C1 1065402959 LRKBNJHNXYNNGE-AWEZNQCLSA-N 302.338 -0.126 30 20 DBED CN(C(=O)c1cn[nH]c1)[C@H]1CN(c2ccc(C#N)nc2)C[C@@H]1O 1065567063 JJLNGUBOFJSDNL-KBPBESRZSA-N 312.333 -0.002 30 20 DBED C[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1CN=c1cc[nH]c(C#N)n1 1065867805 KZNZIWHKZBVNOG-ZJUUUORDSA-N 312.337 -0.292 30 20 DBED Cc1ccc(C#N)c(NC[C@H]2CN(C(=O)C(N)=O)CCO2)n1 1066668710 IWWZWYIXEVYMSP-NSHDSACASA-N 303.322 -0.614 30 20 DBED COCC(=O)N1CCC(O)(CN=c2cc[nH]cc2C#N)CC1 1067463141 WBZXBXRFZDYYSI-UHFFFAOYSA-N 304.350 -0.213 30 20 DBED C#CCCCC(=O)N1CC2(C[C@@H](NC(=O)c3cnon3)CO2)C1 1068978691 TYOXWPMQGCMDAQ-LLVKDONJSA-N 318.333 -0.027 30 20 DBED C#CCCCC(=O)N1CCC[C@@H](NC(=O)CCNC(N)=O)C1 1070670028 VLBCNZMDBLKDPH-GFCCVEGCSA-N 308.382 -0.045 30 20 DBED C#CCCN1C[C@H]2C[C@@H]3CN(C(=O)[C@@H]4COC(=O)N4)C[C@@]3(C1)O2 1070793280 DOOSWTUVKKSYOK-NFFDBFGFSA-N 319.361 -0.580 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)c2csnn2)CC1 1070982711 IVAHQPUPRJTQEV-UHFFFAOYSA-N 307.379 -0.565 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CCCN(C(=O)C2CC(=O)NC(=O)C2)C1 1070984773 VPVOULQMDBVFBX-GXSJLCMTSA-N 320.349 -0.694 30 20 DBED C#CCN1CCN([C@@H]2CCCN(C(=O)[C@@H](C)OC)C2)C(=O)C1 1071256935 MHTYVSNJZRJCMX-ZIAGYGMSSA-N 307.394 -0.210 30 20 DBED C#CCN1CCN([C@@H]2CCCN(C(=O)c3nc[nH]n3)C2)C(=O)C1 1071275488 IDQKCAHDQGLVIS-GFCCVEGCSA-N 316.365 -0.813 30 20 DBED C=CCCOCC(=O)N[C@H]1CN(C(=O)CNC(C)=O)C[C@H]1C 1071507602 YYPZSKXAEIAJSO-YPMHNXCESA-N 311.382 -0.322 30 20 DBED C#CCCCCC(=O)N[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1C 1072165129 KPIKKGSGFASBMW-CHWSQXEVSA-N 318.381 -0.170 30 20 DBED CC(C)C#CC(=O)N[C@H]1CN(C(=O)Cn2nccn2)C[C@@H]1C 1072184424 VZUZKKJLMWSRBY-STQMWFEESA-N 303.366 -0.099 30 20 DBED N#CCN1CCO[C@H]2CCN(C(=O)c3ccc(C(N)=O)o3)C[C@H]21 1074292361 UCUXKQDUZOUOBK-MNOVXSKESA-N 318.333 -0.183 30 20 DBED C=CCN1CC[C@H](N2C[C@@H](O)[C@H](NC(=O)C3CC=CC3)C2)C1=O 1076825139 IUCBQIAWLRHWPV-QLFBSQMISA-N 319.405 -0.099 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)CN2C(=O)Cc3ccccc32)C1 1077739548 YOTSCNYTPXEXHA-UKRRQHHQSA-N 315.373 -0.077 30 20 DBED CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)c2cc(=O)n(C)o2)C1 1080411109 FJASRTAIKUDAOT-SECBINFHSA-N 306.322 -0.189 30 20 DBED C=CCOCC(=O)N1CC(N(CC)C(=O)[C@H]2C[C@H]2C(N)=O)C1 1080563589 AIMJFEQPGYJQFX-NEPJUHHUSA-N 309.366 -0.630 30 20 DBED C=CCO[C@H](C)C(=O)N1CCC(CO)(NC(=O)COC)CC1 1080676786 MZGNSDFDUHJWHE-GFCCVEGCSA-N 314.382 -0.306 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)c2cccnn2)C[C@@H]1O 1081440057 XLBIWDVWLGUHCK-JSGCOSHPSA-N 316.361 -0.171 30 20 DBED C=CC(C)(C)C(=O)NC[C@@H]1CN(C(=O)c2cnon2)C[C@H]1O 1081643688 YCFLSUNPFVBBMB-MWLCHTKSSA-N 308.338 -0.169 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@@H]1CCn2ccnc2C1 1081870764 LSWRSDXJPSXJAA-JHJVBQTASA-N 303.366 -0.216 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)C[C@@H]1CCCS1(=O)=O 1081985286 LWFMCJGKHCZASD-QJPTWQEYSA-N 315.395 -0.707 30 20 DBED C#CCN1C[C@@H](NC(=O)c2cc(C(N)=O)cs2)[C@H](OC)C1 1082387067 KCWHHUFJLQAAJQ-GHMZBOCLSA-N 307.375 -0.091 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H](C)n1cncn1 1083055838 KCDUZCMDUNDCCW-HZSPNIEDSA-N 303.366 -0.226 30 20 DBED COc1ccc(C(=O)N2CCO[C@@H]3CN(CC#N)C[C@@H]32)nn1 1083240739 VMUHOWAYUIBUHK-NWDGAFQWSA-N 303.322 -0.466 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2c[nH]cc2-c2cnn(C)c2)C1 1083455806 UETOHDKQASWKHP-CABCVRRESA-N 313.361 -0.177 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)[C@@H](C)n2nnnc2C(C)(C)C)C1 1083513657 SKAZAFJHVXEXJU-UTUOFQBUSA-N 322.413 -0.121 30 20 DBED C=CCn1cccc1C(=O)N[C@@H]1CN(CC(=O)NC)C[C@@H]1O 1083525848 OKRLUMGQPIPHGS-YPMHNXCESA-N 306.366 -0.805 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)c2ccc(-n3cnnn3)cn2)C1 1083667973 URXGRFAASGCYDO-OLZOCXBDSA-N 315.337 -0.982 30 20 DBED CN1CCN(CC(=O)N[C@@H]2CCCC[C@H]2NCC#N)CC1=O 1085250129 HJEGYKTZPNQIOH-CHWSQXEVSA-N 307.398 -0.699 30 20 DBED Cc1ccc(=O)n(CC(=O)N2C[C@H]3CCN(CC#N)C[C@H]3C2)n1 1088178178 XMIJVYQNLWRHGN-KGLIPLIRSA-N 315.377 -0.144 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2cn(CCOC)nn2)[C@@H](O)C1 1090255146 DFTKJEOGNRVRHI-OCCSQVGLSA-N 321.381 -0.887 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2cnc(C)nc2OC)[C@@H](O)C1 1090311645 WJESFNWLOIVFAE-KGLIPLIRSA-N 318.377 -0.018 30 20 DBED C=CCN1CC[C@H](NC(=O)c2nc(C)c(C)[nH]c2=O)[C@@H](O)C1 1090353185 ZBUARZUBPZFGBY-RYUDHWBXSA-N 306.366 -0.262 30 20 DBED C#CCN1CC[C@@H](NC(=O)Cn2cc(C3CC3)cn2)[C@H](O)C1 1090376405 WPYCNBQFRGAWRG-HUUCEWRRSA-N 302.378 -0.055 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CN2CCCCC2=O)[C@H](O)C1 1090384338 JSXWQUUHVJFCAT-ZIAGYGMSSA-N 307.394 -0.426 30 20 DBED Cn1nc(C(=O)N[C@H]2CCN(CC#N)C[C@H]2O)c2c1CCCC2 1090584973 XGHJJNOUIPJNRD-GXTWGEPZSA-N 317.393 -0.013 30 20 DBED CCc1nc(C#N)cc(N2C[C@H](O)[C@H](NC(=O)CSC)C2)n1 1091067312 YVZOIJJMJXNTTB-MNOVXSKESA-N 321.406 -0.061 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)Cc3cc[nH]n3)c3nccn32)C1 1092358295 FDHUUNHKJKXPFC-GFCCVEGCSA-N 311.349 -0.056 30 20 DBED C[C@H](NC(N)=O)C(=O)NC1[C@@H]2CN(c3ccc(C#N)cn3)C[C@@H]12 1093258394 LEWMXUASZPWYAK-JMJZKYOTSA-N 314.349 -0.439 30 20 DBED CNC(=O)NC(C)(C)C(=O)NCCNc1ccc(C#N)nn1 1093673114 IPSYTOCDGOJJSK-UHFFFAOYSA-N 305.342 -0.416 30 20 DBED C[C@@]1(C(=O)NCCN=c2cc[nH]c(C#N)n2)CCC(=O)NC1 1094059809 XZIOQXMDVRRWSY-CQSZACIVSA-N 302.338 -0.785 30 20 DBED N#CCN1CC(n2cc(CNC(=O)c3ncccc3O)nn2)C1 1094287222 FXRXXAYWDQILGD-UHFFFAOYSA-N 313.321 -0.311 30 20 DBED C#CCCN1CC(N2C[C@H](NC(=O)C[C@H]3CCCO3)CC2=O)C1 1094710628 VODJTGNGBQTVHU-UKRRQHHQSA-N 319.405 -0.020 30 20 DBED CC(=O)NCC(=O)N1CCC[C@@H](N=c2cc[nH]cc2C#N)C1 1095273346 VVLTYEJLZMQHIZ-CYBMUJFWSA-N 301.350 -0.086 30 20 DBED CCN(CCCNC(=O)CCNC(N)=O)c1nccnc1C#N 1095881512 HHRNASBVJTUPHL-UHFFFAOYSA-N 319.369 -0.261 30 20 DBED C[C@H](NC(N)=O)C(=O)N[C@H]1CCN(c2ncccc2C#N)C1 1096356494 VVRVBFHVFXUEEQ-ONGXEEELSA-N 302.338 -0.295 30 20 DBED C#CCCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C[C@H]1CC(=O)NC1=O 1096681433 WDDFVEHBIOSBQF-RNJOBUHISA-N 303.362 -0.216 30 20 DBED CNC(=O)C1(C(=O)N2CC[C@H](Nc3nccnc3C#N)C2)CC1 1096947363 QYDAGYOPQZERMR-JTQLQIEISA-N 314.349 -0.113 30 20 DBED CNC(=O)C1(C(=O)NC[C@H](C)Nc2nccnc2C#N)CC1 1097938281 GLLYTUZXENIYML-VIFPVBQESA-N 302.338 -0.209 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCN(Cc2cncn2C)C[C@H]1O 1099833470 WMJQBFBBZMZTAQ-HUUCEWRRSA-N 320.393 -0.489 30 20 DBED C#CCN1CC[C@H](NC(=O)CCc2cnn(C)c2C)[C@H](O)C1 1099853533 SALZICGCYQGXBQ-LSDHHAIUSA-N 304.394 -0.154 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CCc2cncnc2)[C@H](O)C1 1099925900 MMGGASLEEHUYML-HUUCEWRRSA-N 302.378 -0.016 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)C2CC3(CC3)C2)[C@@H](O)C1 1099998495 IANDIEOTYVRMLA-KGLIPLIRSA-N 319.405 -0.523 30 20 DBED C[C@@H](C#N)C(=O)NCC1CC(NCC(=O)NC2CCOCC2)C1 1100189884 CPIHMURFUWTNAA-DCBWTQNWSA-N 322.409 -0.074 30 20 DBED Cn1[nH]c(CNC2CC(CNC(=O)C#CC3CC3)C2)nc1=O 1100313747 MRXFTHPWICIJOS-UHFFFAOYSA-N 303.366 -0.494 30 20 DBED CN(CCNC(=O)c1cc2n(n1)CCO2)c1ccc(C#N)nn1 1100382573 IHEPPOIQTFIBDF-UHFFFAOYSA-N 313.321 -0.197 30 20 DBED CN(CCNC(=O)c1cc(=O)n(C)cn1)c1ccc(C#N)nc1 1100389833 IGSOYFJKGIWRGO-UHFFFAOYSA-N 312.333 -0.087 30 20 DBED CN(CCNC(=O)c1cn(C)c(=O)cn1)c1ccc(C#N)cn1 1100417698 FKGZEJYELLTUBJ-UHFFFAOYSA-N 312.333 -0.087 30 20 DBED CCN(CCNC(=O)[C@H](C)CC(N)=O)c1ccnc(C#N)n1 1100676476 KBEOORVETNTITB-SNVBAGLBSA-N 304.354 -0.198 30 20 DBED CCN(CCNC(=O)C(N)=O)c1ccc(C#N)cc1[N+](=O)[O-] 1100706088 MQTFHWDHTSMRJJ-UHFFFAOYSA-N 305.294 -0.106 30 20 DBED CCCN(CCNC(=O)Cn1nccn1)c1ccc(C#N)nn1 1101189602 LFHBOKNOCWQMHG-UHFFFAOYSA-N 314.353 -0.027 30 20 DBED CNC(=O)CC(=O)NCCN(c1cncc(C#N)n1)C1CC1 1101327508 SFNSRIURFAIEMZ-UHFFFAOYSA-N 302.338 -0.431 30 20 DBED CCN1CCOC[C@H]1C(=O)N(C)CCN=c1cc[nH]cc1C#N 1101844482 CHMZEQANKGBMQC-HNNXBMFYSA-N 317.393 -0.034 30 20 DBED COCCOCC(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(C#N)n1 1102544414 OMQAXBRUUTZGBD-STQMWFEESA-N 317.349 -0.199 30 20 DBED C#CCN1C[C@@H](C)[C@H](CCNC(=O)Cn2c(O)nnc2O)C1 1103679335 POZWSUBGOUSVTP-GHMZBOCLSA-N 307.354 -0.603 30 20 DBED C=CCN1C[C@@H](C)[C@H](CCNC(=O)CS(=O)(=O)NC)C1 1103733896 FXGSXHFFNZIITD-VXGBXAGGSA-N 303.428 -0.204 30 20 DBED C[C@@H](CNC(=O)[C@@H]1COCCO1)CNc1nccnc1C#N 1103877819 HNXKJOWPQZFBPR-PWSUYJOCSA-N 305.338 -0.072 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)[C@H]1COCCN1C 1104526662 GAMCOVIGAIQJIH-NWDGAFQWSA-N 318.381 -0.640 30 20 DBED C=CCNCc1cn(C2CN(C(=O)[C@H](C)NC(C)=O)C2)nn1 1105146617 IRWJMOOBZPQMLG-JTQLQIEISA-N 306.370 -0.538 30 20 DBED C=CCNCc1cn(C2CN(C(=O)c3nccnc3N)C2)nn1 1105194898 OZCAQEZLPNFJAW-UHFFFAOYSA-N 314.353 -0.377 30 20 DBED C=C[C@@H](C)[C@H](C)C(=O)N1CC(n2cc(CNCC(N)=O)nn2)C1 1105305940 UTTCOHVDQISLDF-MNOVXSKESA-N 320.397 -0.306 30 20 DBED C[C@H](CC(N)=O)C(=O)N1CCC(OC2CN(CC#N)C2)CC1 1105716865 GSQDKMUFPOUEGY-LLVKDONJSA-N 308.382 -0.287 30 20 DBED CC(=O)CCCC(=O)NC[C@H](O)CNc1cnc(C#N)cn1 1105719883 MVOHYDVAAIYTJR-GFCCVEGCSA-N 305.338 -0.003 30 20 DBED CCC(=O)NCC(=O)NC[C@H](O)CNc1ncc(C#N)cc1F 1105770595 AOQQPBBERZOWAZ-JTQLQIEISA-N 323.328 -0.492 30 20 DBED Cn1cc(C(=O)NC[C@@H](O)CNc2ncccc2C#N)nn1 1105816388 YEGMFAWFZZKUDJ-JTQLQIEISA-N 301.310 -0.715 30 20 DBED N#Cc1cccnc1NC[C@@H](O)CNC(=O)[C@@H]1CCC(=O)N1 1105921263 BNGDZFQVPBZRHQ-MNOVXSKESA-N 303.322 -0.879 30 20 DBED C#CCOCCC(=O)NC[C@@H](O)CNc1cncc(C#N)n1 1105970483 IFGRJLZYVXCSKO-LBPRGKRZSA-N 303.322 -0.723 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)[C@@H]1CCC(=O)N1C 1106918794 NAWKXZAOZRRDKA-NSHDSACASA-N 316.365 -0.349 30 20 DBED CCN(CCNc1ccc(C#N)cn1)C(=O)[C@@H]1CNC(=O)N1 1106928254 ILTOCPDJAVLVKC-NSHDSACASA-N 302.338 -0.105 30 20 DBED C[C@@H]1CN(C(=O)C2CCN(C(N)=O)CC2)C[C@H]1CNCC#N 1106964329 AKBRETMMDDRVTI-DGCLKSJQSA-N 307.398 -0.015 30 20 DBED N#CCN1CC(n2cc(CNC(=O)CCn3ccnc3)nn2)C1 1107190948 JGINKHIULIAPCB-UHFFFAOYSA-N 314.353 -0.439 30 20 DBED CCS(=O)(=O)CC(=O)NC/C=C\CNc1cncc(C#N)n1 1107221964 GLFMGRCEDJHLHH-ARJAWSKDSA-N 323.378 -0.133 30 20 DBED N#Cc1nccnc1NC/C=C/CNC(=O)[C@H]1C[C@H]1C(N)=O 1107517716 YVULZMTZQKTTSE-HXNLBGINSA-N 300.322 -0.446 30 20 DBED C[C@H](CN=c1cc[nH]cc1C#N)NC(=O)c1ccc(=O)n(C)n1 1107752593 BTZNXCNATHJRGO-SNVBAGLBSA-N 312.333 -0.301 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)CCCn2ccnn2)C1 1107988563 HCWOEMROIBMSTK-HNNXBMFYSA-N 305.382 -0.101 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)Cn2cc(C3CC3)nn2)C1 1107993310 NCJXQGXQNDKCRI-INIZCTEOSA-N 317.393 -0.004 30 20 DBED C[C@H](CNc1ncccc1C#N)NC(=O)[C@@H]1CN(C)C(=O)N1 1108041242 JFCRKQJZDIHCIU-KOLCDFICSA-N 302.338 -0.107 30 20 DBED C[C@@H](CNc1cncc(C#N)n1)NC(=O)[C@@H]1CCNC(=O)C1 1108335551 OPQUUDIFTOEGMP-VHSXEESVSA-N 302.338 -0.209 30 20 DBED COCC#CCN1CCO[C@@](C)(CNC(=O)[C@H]2CCN(C)C2)C1 1108395411 RTSZPPJGBAFWBG-RDJZCZTQSA-N 323.437 -0.205 30 20 DBED COC(=O)NCC(=O)N(C)CCCN=c1cc[nH]c(C#N)n1 1109373007 CMVNZIHMCGGGKK-UHFFFAOYSA-N 306.326 -0.613 30 20 DBED CN(CCCN=c1cc[nH]cc1C#N)C(=O)[C@H]1COCCN1C 1109410371 YXPLYQLAXBXNLH-OAHLLOKOSA-N 317.393 -0.034 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H]1CCOC1 1110357580 ZGRFAWPJJNUIGA-DGAVXFQQSA-N 305.378 -0.506 30 20 DBED N#Cc1cnc(N2CC[C@@](O)(CNC(=O)C(N)=O)C2)c(Cl)c1 1111124545 NTEOJYKQZYWEMM-CYBMUJFWSA-N 323.740 -0.851 30 20 DBED Cc1cc(C(=O)N(CCO)CCN=c2cc[nH]c(C#N)n2)on1 1111415093 RDFGRKDZZXRSFP-UHFFFAOYSA-N 316.321 -0.387 30 20 DBED COC(=O)NCC(=O)N1C[C@@H](C)[C@@H](Nc2cnc(C#N)cn2)C1 1112298650 YYEWEFHIDLWEGN-KOLCDFICSA-N 318.337 -0.037 30 20 DBED C=CCCC(=O)N1CCN(C[C@H](O)CN2C(=O)CCC2=O)CC1 1112688317 NJDWNOVWPYPOKL-ZDUSSCGKSA-N 323.393 -0.393 30 20 DBED Cc1ccc(C#N)c(N2C[C@@H](O)[C@@H](CNC(=O)CC(N)=O)C2)n1 1112723301 UMPIMMIFYIZWKR-NWDGAFQWSA-N 317.349 -0.950 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)c2cnnc(O)c2)CC1 1112991622 SASGQZNVIKLSGW-LLVKDONJSA-N 319.365 -0.369 30 20 DBED C[C@H](Nc1cncc(C#N)n1)[C@@H](C)NC(=O)CCNC(N)=O 1113038261 CQCNDNWFAGHLOE-DTWKUNHWSA-N 305.342 -0.288 30 20 DBED CC(=O)NCC(=O)NC[C@H](C)N(C)c1nc(C)cc(C#N)n1 1113479234 RWBYGLYULSSVFR-JTQLQIEISA-N 304.354 -0.266 30 20 DBED C[C@@H](CC(=O)N1CCN(CC(=O)NCC#N)CC1)n1cccn1 1113505515 DTMBSYLXHIAYNX-ZDUSSCGKSA-N 318.381 -0.382 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CN(c2ccc(C#N)nn2)CC[C@H]1C 1114011923 XBDCEGCZOBMUJY-ZYHUDNBSSA-N 316.365 -0.185 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@H]3CCCOC3)[C@H]2C1 1114028249 PUXWSGLYNNAUQY-RMRHIDDWSA-N 307.394 -0.238 30 20 DBED CC(C)C#CC(=O)NC1[C@@H]2CN([C@H](C)c3nnnn3C)C[C@@H]12 1114247883 QIGJKZTUEUBURZ-IJLUTSLNSA-N 302.382 -0.023 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)[C@@H](F)C(F)(F)F)[C@@H]2C1 1114309621 ZKPYYCLXIYZBSH-SOCHQFKDSA-N 321.274 -0.317 30 20 DBED N#Cc1cnccc1N1C[C@H]2CC[C@H]1CN2C(=O)CNC(N)=O 1114380509 GFXORZSPEWRXFX-NWDGAFQWSA-N 314.349 -0.199 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)C(C)(C)C(N)=O)[C@H]2C1 1114440761 WKDLXAHQBKFTJF-DCAQKATOSA-N 322.409 -0.765 30 20 DBED N#Cc1cncc(N2C[C@@H]3C(CNC(=O)Cc4nc[nH]n4)[C@H]3C2)n1 1114571232 CZOMLWWSRXFTQF-VXGBXAGGSA-N 324.348 -0.493 30 20 DBED C=CCCOCC(=O)NC1[C@@H]2CN([C@@H](C)C(=O)NC(N)=O)C[C@@H]12 1115329783 AUVXCZIOMBAMNC-HBNTYKKESA-N 324.381 -0.791 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H](CO)CNC(=O)CCn1cccn1 1121073007 ILQKSRRBXIXARG-CYBMUJFWSA-N 314.349 -0.449 30 20 DBED N#CCSCC(=O)NC[C@@H](CO)N=c1cc[nH]cc1C#N 1121078860 IFPRPIQMPUVIHL-NSHDSACASA-N 305.363 -0.479 30 20 DBED N#Cc1cncc(N[C@@H](CO)CNC(=O)c2cnsn2)n1 1121091590 CUDRHZQMHCCIET-MRVPVSSYSA-N 305.323 -0.597 30 20 DBED C[C@](O)(CC(=O)NC[C@H](CO)Nc1cnc(C#N)cn1)C1CC1 1121338696 AZXFRSJUXLHSPB-DOMZBBRYSA-N 319.365 -0.212 30 20 DBED Cc1nnc(CC(=O)NC[C@H](CO)Nc2nccnc2C#N)o1 1121431862 FJLIMRUOQXXZEA-SECBINFHSA-N 317.309 -0.829 30 20 DBED CCn1cc(C(=O)NC[C@@H](CO)N=c2cc[nH]cc2C#N)nn1 1121926227 AGTSDCZEXSETTF-NSHDSACASA-N 315.337 -0.811 30 20 DBED Cc1cc(=N[C@H]2CCN(C(=O)CNC(N)=O)[C@@H]2C)c(C#N)c[nH]1 1122931533 PQQDSXLYGXXTKD-PWSUYJOCSA-N 316.365 -0.247 30 20 DBED CC(=O)NCC(=O)N1C[C@@H](N=c2cc[nH]c(C#N)n2)C[C@@H]1C 1123121749 OPYHIDQIALXGHI-ONGXEEELSA-N 302.338 -0.692 30 20 DBED CN(C[C@H](O)CNc1cnc(C#N)cn1)C(=O)c1cn(C)nn1 1124295782 MCCSYSFFFCQAJL-SNVBAGLBSA-N 316.325 -0.978 30 20 DBED C[C@H](C#N)C(=O)NCC1=CCN(c2ccc3nnnn3n2)CC1 1127587019 FCJAMGCWTWEGMW-SNVBAGLBSA-N 312.337 -0.068 30 20 DBED CNC(=O)C1(C(=O)NCc2cnn3c2CN(CC#N)CC3)CC1 1128517678 PVNDKQIBVRDEHM-UHFFFAOYSA-N 316.365 -0.635 30 20 DBED C=CCCO[C@@H](C)C(=O)N[C@@H]1CN(CCO)C[C@@H]1n1ccnn1 1128784747 GJAHSOQQIRELPH-MJBXVCDLSA-N 323.397 -0.407 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCNCC(=O)N1CCCCC1 1129775311 LZLQQWXWIBVKTJ-HNNXBMFYSA-N 320.437 -0.198 30 20 DBED C=CCCN[C@@H]1CN(C(=O)CNC(=O)NC)C[C@@H]1n1ccnn1 1129881707 QANKSYLWMHWYGB-NEPJUHHUSA-N 321.385 -0.875 30 20 DBED C#CCCN1CCNC(=O)CCN(C(=O)CNC(=O)CC)CC1 1131339825 RVXDKLOVUYRXTF-UHFFFAOYSA-N 322.409 -0.814 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CCNC(=O)CC1 1131848731 YSQSWXCJUIGCOI-VXGBXAGGSA-N 310.398 -0.701 30 20 DBED C=CCOCCN1C[C@H](NC(=O)Cn2ncnn2)CC[C@H]1C 1132041879 MEWCAHFDYIZIHD-CHWSQXEVSA-N 308.386 -0.155 30 20 DBED C#CCN1C[C@H](NC(=O)CCCS(N)(=O)=O)CC[C@@H]1C 1132253409 UAPUPUMPPANNQV-NWDGAFQWSA-N 301.412 -0.343 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2n[nH]cc2F)CC[C@@H]1C 1132274324 RUOKFMUMBXKATE-QWRGUYRKSA-N 321.356 -0.119 30 20 DBED C[C@@H]1CCN(C(=O)CN(C)S(C)(=O)=O)C[C@H]1CNCC#N 1132865027 GPCSJSDHAMFPET-VXGBXAGGSA-N 316.427 -0.524 30 20 DBED Cc1ccnc(C(=O)N[C@H](C)C[C@H](C)NCC(=O)NCC#N)n1 1134243571 CALNCQKBYXHXBT-NWDGAFQWSA-N 318.381 -0.089 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)CN1CCC(C)CC1 1135709738 APOIVLMLYKEPQG-AWEZNQCLSA-N 308.426 -0.438 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)C(=O)NCC1CC1 1135784478 HTGCAHUUFLUTJO-RYUDHWBXSA-N 322.409 -0.865 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@@H](C)Oc1ccccn1 1148114709 SAKAMNXXZQRFQE-GFCCVEGCSA-N 304.350 -0.696 30 20 DBED COCC#CCN1CCC2(C1)CN(C(=O)Cn1cncn1)C2 1148720352 BISMMBCCOKNMMU-UHFFFAOYSA-N 303.366 -0.538 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)c1cnn(C)c1OC 1149208365 BYCGLPZRWSKRIR-SNVBAGLBSA-N 309.370 -0.561 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@@]12CCCN(CC1)C2 1149252949 DXPNXIARJBDABK-BBRMVZONSA-N 306.410 -0.684 30 20 DBED COCC#CCN1CCCO[C@H](CNC(=O)c2ncc[nH]2)C1 1149673668 OVWOYHLUDSSANH-CYBMUJFWSA-N 306.366 -0.120 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)Cn1cc(C)cn1 1152234123 HJWBFJWYOPTSNG-CQSZACIVSA-N 319.409 -0.232 30 20 DBED C=CCCO[C@@H](C)C(=O)NCCCNCC(=O)NC(=O)NC 1155426696 IOEAWXDNQQBJGP-NSHDSACASA-N 314.386 -0.481 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1162832955 CVOQIDCJBKNCFP-JYKNGBAOSA-N 307.394 -0.192 30 20 DBED C=CCNC(=O)CNCCCC[C@H](C)NC(=O)[C@H]1CCC(=O)N1 1169778332 RXQCNEQHOWFTFB-QWHCGFSZSA-N 324.425 -0.168 30 20 DBED COCC#CCNCCCNC(=O)[C@@H](NC(N)=O)C(C)(C)C 1171135232 ADPOPRCPOLUJGU-GFCCVEGCSA-N 312.414 -0.185 30 20 DBED C=CCOCC(=O)N1CC[C@H](NCCNS(C)(=O)=O)[C@@H]1C 1178332337 OZBZOKJAFWIPPH-RYUDHWBXSA-N 319.427 -0.683 30 20 DBED N#CCNC(=O)CNCCCCCCNC(=O)c1cccnn1 1179880559 PSJKFUWYRALLAW-UHFFFAOYSA-N 318.381 -0.004 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)/C=C/c2ccc[nH]2)C1 1182173751 QIZFLUVZRIPRNC-VBROQKIQSA-N 300.362 -0.032 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)c2coc(C(N)=O)c2)C1 1184560002 QEIULPPFMFUVCL-GFCCVEGCSA-N 305.334 -0.168 30 20 DBED C=CCN1C[C@@H]2CCN(C(=O)CCNS(C)(=O)=O)[C@@H]2C1 1188131713 MNBYTRRTBHVLSF-NWDGAFQWSA-N 301.412 -0.356 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@H]1CCN(C(=O)CSCC#N)C1 1188984237 WVXMADAHMCJQHS-OLZOCXBDSA-N 322.434 -0.086 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)C(C)(C)F)C1 1190650792 AJNLCZQMRHOMSF-HBNTYKKESA-N 301.362 -0.414 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)/C=C/c2ccco2)C1 1190709263 GGXBLFPLYBGNMY-QAMKJQMISA-N 317.345 -0.797 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@H](N(C)CC(=O)NC)C1 1190726356 YYZPSLUURCEIFX-KBPBESRZSA-N 306.410 -0.637 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2cnnc(O)c2)C1 1190799916 GFOVJIDOASEOOX-GFCCVEGCSA-N 317.349 -0.922 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)CO[C@@H](C)CC)C1 1192280989 LVJOFTIZHDFWTF-YNEHKIRRSA-N 313.398 -0.735 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2C[C@@H]2C(F)F)C1 1192580878 ODVQQMSYKVQXBU-NNYUYHANSA-N 302.321 -0.301 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2conc2CC)C[C@H]1O 1192886126 MCLUHORTLNPPJD-HUUCEWRRSA-N 321.377 -0.062 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)C(C)(C)C(=C)C)C1 1195278449 VAFYXOQSKZQZFM-BFHYXJOUSA-N 321.421 -0.112 30 20 DBED C=CCC1(C(=O)N[C@@H]2CN(Cc3nnnn3C)C[C@H]2O)CCC1 1195897185 SMZYXDHCSFBNQB-VXGBXAGGSA-N 320.397 -0.382 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)Cc2c(C)n[nH]c2C)C1 1198542263 LBLGZPUEDWEDGV-HUUCEWRRSA-N 322.409 -0.067 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)C(C)(C)NC(=O)NCC=C)C1 1199081804 YQMILSZCCJHWMX-VXGBXAGGSA-N 308.382 -0.955 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)[C@@H]2CCOC2)CC1 1204691842 DUBFDLSBCKRREZ-CQSZACIVSA-N 307.394 -0.400 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)[C@@H](C1CC1)N(C)C 1207546804 AEWGOEIMFHMPDM-UXIGCNINSA-N 321.425 -0.597 30 20 DBED C=CCOCC(=O)N1CCC[C@@H](NCC(=O)NC(=O)NC)C1 1207683766 HJDYDERPUNKBKY-LLVKDONJSA-N 312.370 -0.775 30 20 DBED N#CCNC(=O)CN[C@H]1CCCN(C(=O)Cc2ccon2)C1 1207721866 JFYPHCWYDJHHPZ-LBPRGKRZSA-N 305.338 -0.563 30 20 DBED COCC#CCN1C[C@@H](NC(=O)c2cn(C)c(=O)n2C)[C@H](C)C1 1211389561 WQNSTLZLVWDZDL-CHWSQXEVSA-N 320.393 -0.576 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)C[C@H]2COC(=O)C2)C[C@H]1C 1214442417 ZHEAJIFJCMOOTC-JHJVBQTASA-N 321.377 -0.875 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2CC)C[C@H]1C 1215191947 LRDXTUAEBHJYDP-TUVASFSCSA-N 321.421 -0.013 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(C[C@@H]2CCc3ncnn32)C[C@@H]1O 1219539221 APLZFDCIENWOCW-MJBXVCDLSA-N 317.393 -0.270 30 20 DBED C=CCC[C@@H](C)N1C[C@H](O)[C@H](NC(=O)Cn2ncn(C)c2=O)C1 1219913091 DHOCBQIEVFURIQ-UPJWGTAASA-N 323.397 -0.902 30 20 DBED CC1(C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@@H]2O)C[C@H]2C[C@@H]2C1 1220052080 RNFLZYLRANMYQW-LPWJVIDDSA-N 320.393 -0.776 30 20 DBED C=CCOCC(=O)N1C[C@H]2CCN([C@@H]3CCC(=O)NC3=O)C[C@H]21 1221441733 RKPVSYMMMCGEGY-JHJVBQTASA-N 321.377 -0.473 30 20 DBED C=CCNC(=O)CN1CC[C@H]1CN(C)C(=O)[C@H]1COCCN1C 1233706841 PDIIRNQVSVECJT-UONOGXRCSA-N 324.425 -0.848 30 20 DBED Cc1cnn(CC(=O)NCCCN(C)CC(=O)NCC#N)c1 1234623630 ZGDYLDJVOZSGDP-UHFFFAOYSA-N 306.370 -0.731 30 20 DBED C=C[C@H](CO)NC(=O)c1cnn2c1C[C@H](CNC(C)=O)CC2 1261756966 YNINJKQDFSCIBK-VXGBXAGGSA-N 306.366 -0.142 30 20 DBED C=CCn1c(N2CCN3C(=O)NC[C@H]3C2)nnc1C1(O)CC1 1262957840 ILOZKRIKIDTTSR-JTQLQIEISA-N 304.354 -0.341 30 20 DBED C=CCS(=O)(=O)CCNC(=O)c1coc(S(N)(=O)=O)c1 1320142475 ISTYIFAOGFRXTC-UHFFFAOYSA-N 322.364 -0.742 30 20 DBED C=C(CC)CNC(=O)C(=O)NCCCN1CCC[C@H](C(N)=O)C1 1326272840 KNDVDWPNISAISF-ZDUSSCGKSA-N 324.425 -0.228 30 20 DBED C=C[C@H](C)ONC(=O)C(=O)Nc1ccn(CC(=O)N(C)C)n1 1326483703 IXKKOGLRBSNTRO-VIFPVBQESA-N 309.326 -0.468 30 20 DBED C[C@@H](NC(=O)CSCC#N)C(=O)N1CCS(=O)(=O)CC1 1327238107 KQDYGXOBIILHTL-SECBINFHSA-N 319.408 -0.995 30 20 DBED CN1CCN(C)[C@@H](CNC(=O)C(=O)Nc2sccc2C#N)C1 1327827551 QVJLJNIXZJVBDY-NSHDSACASA-N 321.406 -0.080 30 20 DBED C=CCn1cc(C(=O)N[C@H](CC(N)=O)C2CCOCC2)nn1 1328537464 KXEGNOWDCUTYOU-LLVKDONJSA-N 307.354 -0.136 30 20 DBED C[C@@H]1CN(C(=O)C(=O)N2CCN(CCC#N)CC2)C[C@@]1(C)CO 1329507026 FRTWPEPJLYYOBU-CJNGLKHVSA-N 322.409 -0.479 30 20 DBED COCC#CC(=O)N1CCC(n2cnc(C(N)=O)c2N)CC1 1330806181 OUOLPKBMOHQCRB-UHFFFAOYSA-N 305.338 -0.623 30 20 DBED CCC[C@]1(CO)CCCN1C(=O)C(=O)N1CCO[C@@H](C#N)C1 1331250790 CUZBZRKRMNLRIF-SWLSCSKDSA-N 309.366 -0.109 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CC[C@](O)(CC#N)C1)[C@H]1CCCO1 1332244535 VFLHXASEHKQQSQ-YWPYICTPSA-N 305.334 -0.840 30 20 DBED C=CCOCCNC(=O)C(=O)N1CC[C@@H]2NC(=O)OC[C@H]2C1 1333180613 JDVHTGQXOUUWQA-MNOVXSKESA-N 311.338 -0.738 30 20 DBED O=C(C#CC1CCNCC1)N[C@H]1CCN(C2CCOCC2)C1=O 1333320083 LQEGLWVLILJZRD-HNNXBMFYSA-N 319.405 -0.115 30 20 DBED C[C@H](O)C[C@H]1COCCN1C(=O)C(=O)N1CCC[C@@H](C#N)C1 1334983590 MISXCQJZHWHJLH-AVGNSLFASA-N 309.366 -0.253 30 20 DBED C#C[C@@H](NCC(=O)NC1CCN(C(C)=O)CC1)[C@@H]1CCCO1 1338321051 YMGHHUJACRTPJO-CABCVRRESA-N 307.394 -0.116 30 20 DBED C=CCn1c(-c2cn(CCO)nn2)nnc1N1CC[C@H](OC)C1 1339137810 PRBXXCHKLJUIAK-NSHDSACASA-N 319.369 -0.060 30 20 DBED C#CCOCCNC(=O)C(=O)NC[C@H](C)N1CCC[C@@H](C)C1 1346544523 UWSAKKHHBZKGLA-KGLIPLIRSA-N 309.410 -0.011 30 20 DBED CN(C[C@@H]1CCCOC1)C(=O)Cn1cc(C#N)c(O)nc1=O 1361972042 ZYJSZJHHOIMPRY-JTQLQIEISA-N 306.322 -0.294 30 20 DBED N#Cc1cn(CCNC(=O)[C@@H]2C[C@H]3CC[C@H]2O3)c(=O)nc1O 1363286846 KSWGJMGJPBTYBL-GMTAPVOTSA-N 304.306 -0.496 30 20 DBED CS(=O)(=O)N1CCC(NC(=O)Cn2ccnc2C#N)CC1 1364274356 SDSPSHWZYHTWFW-UHFFFAOYSA-N 311.367 -0.705 30 20 DBED N#Cc1ccc([C@H](C(N)=O)N2CC[C@H](CS(N)(=O)=O)C2)cc1 1364815903 UOWKBOUHWACOAE-WCQYABFASA-N 322.390 -0.305 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(CCN(CC(=O)NC(N)=O)C2)CC1 1373978002 CMHVQZLHZRQZIL-NSHDSACASA-N 321.381 -0.345 30 20 DBED CCn1ncnc1CNC[C@@H](O)CNC(=O)c1cc(C#N)c[nH]1 1379188814 YZYUSVJVODGUIR-LLVKDONJSA-N 317.353 -0.622 30 20 DBED C[C@@H](C#N)C(=O)N1CC([C@@H](C)NC(=O)CCn2cnnn2)C1 1383311707 JLQCDCLHLLUGEW-VHSXEESVSA-N 305.342 -0.814 30 20 DBED CNC(=O)NCC(=O)N1CCC([C@@H](C)NC(=O)[C@H](C)C#N)CC1 1398414253 XKJMDEZSEXQSCB-GHMZBOCLSA-N 323.397 -0.182 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H](CNC(=O)c1nccnc1N)C1CC1 1407601504 NARGTEIPTJRQJN-WPRPVWTQSA-N 302.338 -0.157 30 20 DBED CC(C)(CN1CCOCC1)NC(=O)NCCn1cnc(C#N)n1 1413821027 WHKURIVCVKXYII-UHFFFAOYSA-N 321.385 -0.440 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](C)CNC(=O)Cn1nnc2c1CCCC2 1416867514 GLHXMUISCMTQRC-WDEREUQCSA-N 318.381 -0.063 30 20 DBED N#Cc1cn(CCC(=O)N2Cc3cncnc3C2)c(=O)nc1O 1417881024 AZZONWIARINMLB-UHFFFAOYSA-N 312.289 -0.457 30 20 DBED CCNC(=O)NC(=O)CN(CCNC(=O)[C@@H](C)C#N)C1CC1 1418755506 XLDGURQFKXLSCO-JTQLQIEISA-N 309.370 -0.428 30 20 DBED C[C@H](CNC(=O)[C@H](C)C#N)NC(=O)C(C)(C)N1CCOCC1 1428789284 YWHZINIDEKMQIV-VXGBXAGGSA-N 310.398 -0.122 30 20 DBED Cn1c(=O)[nH]c(N[C@@H]2COc3ccccc3[C@H]2O)c(C#N)c1=O 1434443933 DUKWJHGKUJPZQA-ZYHUDNBSSA-N 314.301 -0.148 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@](C)(NC(=O)c1cnn(C)n1)C1CC1 1451264465 GACXNKZOJNYODF-LKFCYVNXSA-N 304.354 -0.011 30 20 DBED COCC#CCN1CCC[C@@H](NC(=O)C[C@H]2CCC(=O)N2)C1 1479911269 GHKDMYDZBRZAIY-ZIAGYGMSSA-N 307.394 -0.115 30 20 DBED C=C(Cl)CNC[C@H](C)CNC(=O)[C@H]1CCS(=O)(=O)N1 1482170044 HRDWGXBORJSQEC-WCBMZHEXSA-N 309.819 -0.228 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CCN(C(=O)CS(C)(=O)=O)C1 1495154749 YPXKIQMJMSGHAM-ZJUUUORDSA-N 301.368 -0.845 30 20 DBED CC[C@H](CNC(=O)CN1CCOCC1=O)NC(=O)[C@H](C)C#N 1531259564 KVGMPTRNVZQSPB-GHMZBOCLSA-N 310.354 -0.984 30 20 DBED C#CCNCCCOCCNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 1573284887 AEODJRROLHIUNV-UHFFFAOYSA-N 317.353 -0.446 30 20 DBED C[C@@H](CN(C)c1nccnc1-c1nn[nH]n1)NC(=O)[C@H](C)C#N 1574823111 BGHHNQBMLOFNMU-BDAKNGLRSA-N 315.341 -0.243 30 20 DBED C#CC1(O)CCN(S(=O)(=O)c2n[nH]c(C)c2C(=O)O)CC1 1588380040 YZNFHVGZPAMRDT-UHFFFAOYSA-N 313.335 -0.435 30 20 DBED C#CCN(CC(=O)O)c1nnc([C@@H]2C[C@H](O)CN2C)n1CC=C 1588426760 BGPNRFNFUWYJCR-RYUDHWBXSA-N 319.365 -0.274 30 20 DBED C[C@@H](C(=O)OCc1cnc(C(=O)O)cn1)n1cnc(C#N)n1 1589545793 ATCNHQQXPAHIBY-ZETCQYMHSA-N 302.250 -0.058 30 20 DBED C#CCN1CCC[C@H](NC(=O)N2C[C@H](C)O[C@H](C(=O)O)C2)C1 1602720994 PRMDFGPIJWBXBF-AVGNSLFASA-N 309.366 -0.033 30 20 DBED C#CC[C@@H](NC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)C(=O)O 1609076693 UZLYQYXCJJSKIZ-BDAKNGLRSA-N 304.368 -0.457 30 20 DBED C[C@@H](C(=O)N1CC(N2CCN(C)CC2)C1)n1cnc(C#N)n1 1650021903 ZKMDPEGGZSXXHO-NSHDSACASA-N 303.370 -0.831 30 20 DBED C#CCNC(=O)CN1CCC[C@H](NC(=O)c2nccc(C)n2)C1 1713795908 RKDNDRUVJAWSOK-ZDUSSCGKSA-N 315.377 -0.271 30 20 DBED CC#CCN(C)CCCNC(=O)Cn1ccc(=O)n(C)c1=O 1751984958 DHDUFDZWOWWDBR-UHFFFAOYSA-N 306.366 -0.992 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1C[C@@H](NC(=O)CSCC#N)C1 1752715186 DYJDYVZUGIRVKT-SDDRHHMPSA-N 308.407 -0.382 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCCN(C(=O)c2[nH]nnc2C)C1 1752995043 NNAKJVOUEHZAOI-LBPRGKRZSA-N 318.381 -0.601 30 20 DBED CCc1nc(C)c(C(=O)NCC2CN(CC(=O)NCC#N)C2)o1 1753412900 PBJBPBBJCASBCD-UHFFFAOYSA-N 319.365 -0.153 30 20 DBED C#CCN1CCC(C(=O)NC[C@H](C)CN[C@H](C)C(=O)NC)CC1 1753645007 QFLYWKAWLWECLK-ZIAGYGMSSA-N 322.453 -0.192 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(Cc2cnn(C)n2)CCO1 1753648725 MAQKXODFPDOXJQ-CQSZACIVSA-N 305.382 -0.209 30 20 DBED CC(C)C#CC(=O)NC[C@H](O)CN[C@@H]1CCN(C(C)C)C1=O 1753911400 PPMBPPVZXUCDGE-ZIAGYGMSSA-N 309.410 -0.278 30 20 DBED C=CCn1cc(C(=O)N[C@@H](C)CN(C)[C@@H](CC)C(N)=O)nn1 1754326242 FZUAFULFMRQCAT-JQWIXIFHSA-N 308.386 -0.222 30 20 DBED C#CCNC(=O)CNC[C@H](NC(=O)Cc1cncn1C)C1CC1 1754457893 UGERCBQGDIZSSU-AWEZNQCLSA-N 317.393 -0.804 30 20 DBED C=CCCOCC(=O)N(C)C1CN(CCN2C(=O)CCC2=O)C1 1754587900 DGOAFNXUHJAMFD-UHFFFAOYSA-N 323.393 -0.129 30 20 DBED CCC(CC)NC(=O)CN1CC(O)(CNC(=O)C#CC2CC2)C1 1754768031 XPEICFQIGLCBSM-UHFFFAOYSA-N 321.421 -0.133 30 20 DBED C=CCOCCN1C[C@H]2CN(C(=O)[C@H]3COC(=O)N3)C[C@H]2C1 1754842721 UQWHPFXYTGLMQW-FRRDWIJNSA-N 309.366 -0.312 30 20 DBED C[C@@H]1[C@H](NCC(=O)NCC#N)CCN1C(=O)C12CCN(CC1)C2 1755663774 OFIADPOSBGDSKZ-CHWSQXEVSA-N 319.409 -0.699 30 20 DBED C[C@@H]1[C@H](NC(=O)CN(C)S(C)(=O)=O)CCCN1CC#N 1755719019 SYJGRNPMRCTXFH-GHMZBOCLSA-N 302.400 -0.630 30 20 DBED C=CCNC[C@H]1CC[C@H](NC(=O)CN2CCN(C)C(=O)C2)C1 1755737191 GFDAISVHAIMFDD-KBPBESRZSA-N 308.426 -0.179 30 20 DBED C=C(C)CCC(=O)NC[C@H]1[C@@H]2CN(C(=O)[C@@H]3CNC(=O)N3)C[C@H]12 1756202589 ASEAIEGFGOTIMD-RVMXOQNASA-N 320.393 -0.155 30 20 DBED C=CCCC1(C(=O)N[C@H](CO)CNC(=O)[C@H]2CCNC2=O)CC1 1756540496 NYCZUOOVYBFKRM-RYUDHWBXSA-N 323.393 -0.538 30 20 DBED C#CCO[C@@H](C)C(=O)NC1CC(N(C)C(=O)CCCC(N)=O)C1 1756743716 CRBUBXBLIWUSRE-HIFPTAJRSA-N 323.393 -0.214 30 20 DBED CC(C)(C)C#CC(=O)N[C@@H]1CN(C(=O)CN2CCCC2)C[C@H]1O 1756996115 ZOVXDWVVQKKJFP-ZIAGYGMSSA-N 321.421 -0.180 30 20 DBED CC(C)C#CC(=O)N(C)C[C@H]1CCN1C(=O)[C@H]1CN(C)C(=O)N1 1757289944 MVDHBCANJCSKSL-CHWSQXEVSA-N 320.393 -0.271 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC#N 1795079027 UHLZWDRSFDIKRF-XPCVCDNBSA-N 319.361 -0.472 30 20 DBED Cc1ccc(C#N)cc1S(=O)(=O)N[C@H]1CC(=O)N(C)C1=O 88777789 REJROIZASVVTTL-JTQLQIEISA-N 307.331 -0.098 30 20 DBED N#Cc1ncccc1S(=O)(=O)N1CCN2C(=O)NC[C@H]2C1 236405496 JJZBNPNNXKNEME-VIFPVBQESA-N 307.335 -0.649 30 20 DBED CC(C)CN/C(N)=N/Cc1ccc(C(=O)NCC(N)=O)cc1 264075192 HEQQDXAZGLLJOB-UHFFFAOYSA-N 305.382 -0.038 30 20 DBED Cc1cccc(S(=O)(=O)NN2CC(=O)N(C)C2=O)c1C#N 274513346 XHMOUKKYUBBQCG-UHFFFAOYSA-N 308.319 -0.046 30 20 DBED Cn1c(NCC2(N3CCOCC3)CC2)c(C#N)c(=O)n(C)c1=O 277563935 ZAFKOHIOPILDTD-UHFFFAOYSA-N 319.365 -0.768 30 20 DBED CN(C)CCCN(CCC#N)C(=O)CSc1n[nH]c(=O)[nH]1 287637758 GELJMRLWNOURDZ-UHFFFAOYSA-N 312.399 -0.116 30 20 DBED C=CCCOCCNC(=O)C(=O)NCc1cnn(CCOC)c1 289378025 KEASNOZJPCRACU-UHFFFAOYSA-N 324.381 -0.145 30 20 DBED Cn1cnc(S(=O)(=O)NCC(=O)N[C@@]2(C#N)CC2(C)C)c1 291924377 BMYMNRUXNZWFGS-GFCCVEGCSA-N 311.367 -0.493 30 20 DBED C=CCN(C)C(=O)C(=O)N1CCN(CCC(=O)OC)C[C@@H]1C 297876855 PLHBFZUGJIBXNW-LBPRGKRZSA-N 311.382 -0.273 30 20 DBED CS(=O)(=O)N1CCN(/C(O)=N/CCC2(O)CCC2)CC1 328867947 HDVIFPLWJQMKGC-UHFFFAOYSA-N 305.400 -0.217 30 20 DBED CN1CCN(C)[C@@H](C/N=C(/O)N(C)CCN2CCOCC2)C1 329388440 UBHGZVFWQIDDBU-AWEZNQCLSA-N 313.446 -0.590 30 20 DBED CS(=O)(=O)N1CCC[C@@H]1C/N=C(/O)CN1CCOCC1=O 329864866 SYFIUMBDMPCQGF-SNVBAGLBSA-N 319.383 -0.774 30 20 DBED CN(C)C(=O)[C@@H]1CC[C@H](C/N=C(/O)NC[C@H]2COCCO2)O1 330636183 DTWLCCFXXBZWCJ-WOPDTQHZSA-N 315.370 -0.459 30 20 DBED C[C@@H](C(=O)N(C)CC(=O)N1CCOC[C@@H]1C#N)n1cccn1 330925046 GKLIMRYVROTMAW-RYUDHWBXSA-N 305.338 -0.347 30 20 DBED CC/N=C(/O)NC(=O)[C@H](C)N1CCC([C@H](O)C(=O)OC)CC1 331280042 UAZPAJQWOBPWCO-ONGXEEELSA-N 315.370 -0.329 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)NC[C@H](CO)[C@@H]1CCOC1 337771847 ONNVWZZKANGGRX-IJLUTSLNSA-N 305.400 -0.300 30 20 DBED COC(=O)[C@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)[C@@H](C)O 353855012 AGDLHSWNPHVZLF-NOZJJQNGSA-N 319.317 -0.673 30 20 DBED C=C(C)CN(C)C(=O)C(=O)NCCCN1CCC[C@H](C(N)=O)C1 358016693 GRDGGTAHJOTYEV-ZDUSSCGKSA-N 324.425 -0.276 30 20 DBED C=CCN(C)C(=O)C(=O)N[C@@H]1CCOC[C@H]1OCCOC 360199740 NQBICNLOQGLNIG-VXGBXAGGSA-N 300.355 -0.433 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CN(C)C[C@@H]2C)CC1 362450079 CRVBALOBYMDCLD-UONOGXRCSA-N 308.426 -0.370 30 20 DBED C=CCNC(=O)NC(=O)CN1CCS(=O)(=O)C[C@@H](C)C1 365454092 USBLSVIWXOMQQD-JTQLQIEISA-N 303.384 -0.635 30 20 DBED N#Cc1ncccc1S(=O)(=O)NCc1cc(C(N)=O)no1 428414511 UWVICYGOHVIHLJ-UHFFFAOYSA-N 307.291 -0.481 30 20 DBED N#C[C@H]1COCCN1Cc1nnnn1CCOCC(F)(F)F 447302362 AUDIUHSOEBFGEW-VIFPVBQESA-N 320.275 -0.024 30 20 DBED C#CC(C)(C)NC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 490656077 HDRQYHXVYJHVTG-WDEREUQCSA-N 312.391 -0.450 30 20 DBED C#CCN1CCN(C(=O)CN2CCO[C@@H](CC(=O)OC)C2)CC1 490842221 ZWXAWUUMDIIVML-AWEZNQCLSA-N 323.393 -0.972 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2cc(C)sn2)CC1 491179283 DTJVCYZMCLCVCU-UHFFFAOYSA-N 306.391 -0.041 30 20 DBED C#CCN1CCN(C(=O)CN2CC[S@](=O)C[C@@H](C)C2)CC1 491807277 SAJYCRHTXAYGDA-QKKBWIMNSA-N 311.451 -0.536 30 20 DBED CN(C)C(=O)O[C@@H]1CCN(S(=O)(=O)N(C)CCC#N)C1 496831028 VMVKFSCVJRSPOX-SNVBAGLBSA-N 304.372 -0.151 30 20 DBED C[C@H](C#N)CNC(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 525710810 AQOCVYSUKUMJKE-AIPRNEOBSA-N 305.334 -0.185 30 20 DBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)Cn1cnnc1O 548048393 HCMVUPQIWIKLTO-UHFFFAOYSA-N 304.314 -0.748 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N2CCO[C@H]3CCC[C@@H]32)CCO1 554520794 VTXVIFBYMQQHKI-WOPDTQHZSA-N 301.368 -0.291 30 20 DBED N#Cc1ccncc1N1CCN(CCCS(N)(=O)=O)CC1 571832876 OROJYGQMSVZCRG-UHFFFAOYSA-N 309.395 -0.246 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)c2ccn(CC)n2)CC1 580954253 WSBNTYNQBFQBHX-UHFFFAOYSA-N 305.382 -0.037 30 20 DBED Cn1nnc2cc(NC(=O)C(=O)N3CCO[C@H](C#N)C3)ccc21 592284932 IJKFQQDAOLZEOW-SNVBAGLBSA-N 314.305 -0.342 30 20 DBED C=CCOC[C@@H](NS(=O)(=O)CC1(N(C)C)CC1)C(=O)OC 601408317 OPVUWZPWOHXRAE-LLVKDONJSA-N 320.411 -0.256 30 20 DBED CC(C)[C@H](N)CCN(C)C(=O)C(=O)N1CCN(CCC#N)CC1 601583383 PKNBXVDARWLCAU-CQSZACIVSA-N 323.441 -0.124 30 20 DBED CCn1nccc1NC(=O)C(=O)N1CCN(CCC#N)CC1 602078668 UJUKRTPOBTWNNA-UHFFFAOYSA-N 304.354 -0.101 30 20 DBED CN(C)C(=O)COC1CN(C(=O)Nc2nn(C)cc2C#N)C1 610767518 XIBZPZDCSNBAKA-UHFFFAOYSA-N 306.326 -0.387 30 20 DBED O=C1c2ccccc2C(=O)N1CC#CCN(CCO)CCCO 625159169 XKWJHCXNEBRCQC-UHFFFAOYSA-N 316.357 -0.037 30 20 DBED C=CCn1cc(C(=O)N(CCO)CCN2CCOCC2)nn1 648834074 NPVAPHLARZUUNG-UHFFFAOYSA-N 309.370 -0.769 30 20 DBED C=CCOCCNC(=O)N1CCS(=O)(=O)[C@H]2COCC[C@H]21 662011284 BSMJYZRFZOOIKU-NEPJUHHUSA-N 318.395 -0.214 30 20 DBED C=C[C@@H](O)C(=O)NCc1ccc([C@]2(C)NC(=O)NC2=O)cc1 667894973 HXEVDJGXDMEGMK-ABAIWWIYSA-N 303.318 -0.096 30 20 DBED NC(=O)C[C@@H]1CCN(CC#CCN2CC[C@H](CC(N)=O)C2)C1 676923110 BQJSQAPYGJQJMK-OKILXGFUSA-N 306.410 -0.616 30 20 DBED COC(=O)[C@H]1C[C@H]1C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[nH]1 736907000 BHUOCILIWQSNQW-UHNVWZDZSA-N 302.254 -0.791 30 20 DBED C=CCCN(C)C(=O)NCCS(=O)(=O)N1CCOCC1 786115795 DONFLDSHTFOYCQ-UHFFFAOYSA-N 305.400 -0.134 30 20 DBED C[C@H](O)CCN(C)C(=O)C(=O)NCCNc1ncccc1C#N 787775816 BHEFSDWAXAKASD-NSHDSACASA-N 319.365 -0.289 30 20 DBED C#CCC[C@H](O)CNC(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O 798417401 YXSQDNBREGOIKP-QWHCGFSZSA-N 319.365 -0.401 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)NCc2nc(C3CC3)no2)CCO1 800012484 MBTWKPUURGJMSE-SECBINFHSA-N 313.339 -0.494 30 20 DBED CS(=O)(=O)c1ccc(S(=O)(=O)O[C@H]2CNOC2)cc1 809381460 UCDWLFPEPVBQMR-QMMMGPOBSA-N 307.349 -0.301 30 20 DBED CCn1ncn(N=Cc2cnc(N3CCN(C)CC3)nc2)c1=O 814235373 IBHBDNVBFKCHJW-UHFFFAOYSA-N 316.369 -0.511 30 20 DBED C=CC[C@H]1CCCN(C(=O)C(=O)NCCS(C)(=O)=O)C1 827086820 DVSQQJJKDSJOEQ-NSHDSACASA-N 302.396 -0.038 30 20 DBED N#C[C@H]1CNC[C@@H]1NC(=O)CCN1C(=O)NC2(CCCC2)C1=O 834511801 OFBWWSOIZPIVOZ-QWRGUYRKSA-N 319.365 -0.531 30 20 DBED C#C[C@H](NC(=O)C(=O)N1C[C@@H](C)[C@H](C(=O)OC)C1)[C@H]1CCCO1 834816944 CUDPROIDQIJGSH-FVCCEPFGSA-N 322.361 -0.449 30 20 DBED C#CC[C@H](NS(=O)(=O)c1cn(C)c(Cl)n1)C(=O)OC 841540150 IXZRIDMJDNJORZ-ZETCQYMHSA-N 305.743 -0.083 30 20 DBED C#CCC[C@H](O)CNC(=O)[C@H](C)n1cnc2c(N)ncnc21 847170230 CJICGMVMWPUQTH-UWVGGRQHSA-N 302.338 -0.140 30 20 DBED C#C[C@H](NC(=O)N1C[C@H]2C(=O)N(C)C(=O)[C@H]2C1)[C@H]1CCCO1 868513752 IDGVPIHYTBXOHI-WHOHXGKFSA-N 305.334 -0.577 30 20 DBED C#CCN1CCN(C(=O)CN2[C@H](C)C(=O)N(C)[C@@H](C)[C@H]2C)CC1 878753404 YSXCFHRZWSMJPM-RRFJBIMHSA-N 320.437 -0.297 30 20 DBED C#CCN1CCN(C(=O)CCN2C(=O)C(C)=C(C)C2=O)CC1 900688701 BKPITGHRPLVCRY-UHFFFAOYSA-N 303.362 -0.141 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)CN(C)C(=O)OC 919290281 WEWHTKUSPXAGMA-MRVPVSSYSA-N 301.299 -0.372 30 20 DBED C#CCNS(=O)(=O)N1CCN(C/C=C\C(=O)OCC)CC1 930118283 FSYSTZPGEYKRRZ-WAYWQWQTSA-N 315.395 -0.809 30 20 DBED C=C1CC(C)(C(=O)N2CC[C@H](NC(=O)[C@@H]3CNC(=O)N3)C2)C1 938574629 MMBMNVSHNBSOMS-QWRGUYRKSA-N 306.366 -0.259 30 20 DBED Cc1ncncc1C(=O)NC[C@H]1CN(C(=O)[C@@H](C)C#N)CCO1 944498585 URIXBSPIJZHGIO-JQWIXIFHSA-N 317.349 -0.098 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)c2cnn(C)c2N)C1 944556737 MIZYPSKPJVIBKV-UWVGGRQHSA-N 320.353 -0.881 30 20 DBED C=CCN1C[C@H]2CCN(C(=O)CN3CC(=O)NC3=O)CC[C@H]2C1 946824203 HCBCAYCHLMCMHJ-BETUJISGSA-N 320.393 -0.105 30 20 DBED C=C1CC(C)(C(=O)N[C@H]2[C@H]3C[C@H]2N(C(=O)c2nnn(C)n2)C3)C1 948000198 LXQBCKRDWWMHQT-AXFHLTTASA-N 316.365 -0.105 30 20 DBED N#CCN1CCC2(CC1)CN(C(=O)CN1CCCC1=O)CCO2 949021713 ZOGQATXGJXZFJC-UHFFFAOYSA-N 320.393 -0.174 30 20 DBED N#Cc1cc(C(=O)NC[C@H]2CCN2C(=O)[C@H]2COC(=O)N2)c[nH]1 949490426 AGAOIOJQFTYSAP-GHMZBOCLSA-N 317.305 -0.675 30 20 DBED C#CCN1CC(N(CC)C(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 950094456 QQMKAAACYSTPNT-LBPRGKRZSA-N 315.377 -0.072 30 20 DBED CC(=O)Nc1c[nH]c(C)c1C(=O)NC[C@H]1CN(CC#N)C[C@H]1O 958195380 GTUJVOQQVJVOQY-WCQYABFASA-N 319.365 -0.172 30 20 DBED C=CCN1C[C@@H](O)[C@@H](CNC(=O)c2cnc3c(c2)nnn3C)C1 958268710 XDNUEBBEKGARPZ-WCQYABFASA-N 316.365 -0.428 30 20 DBED C=C1CC(C)(C(=O)N(C)[C@H]2CN(C(=O)c3cnn[nH]3)C[C@@H]2O)C1 958953979 DRLYHJYBUVJTNP-RYUDHWBXSA-N 319.365 -0.195 30 20 DBED N#CCN1C[C@H]2C(NC(=O)[C@@H]3COCCN3CC(F)F)[C@@H]2C1 961374067 RHFQSWFYPSSLHI-MXWKQRLJSA-N 314.336 -0.478 30 20 DBED Cc1cccnc1C(=O)N[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1O 962141590 AFMYVJIJFJFUQQ-UTUOFQBUSA-N 302.334 -0.149 30 20 DBED Cc1cc(C)n(CC(=O)NC2[C@@H]3CN(CC#N)C[C@@H]23)c(=O)n1 962154698 KCXYCUYEGGMVBQ-VXGBXAGGSA-N 301.350 -0.570 30 20 DBED Cc1ccc(CC(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)o1 962354228 HZJUWYXJIPPGEM-BIMULSAOSA-N 305.334 -0.022 30 20 DBED C=CCCN1C[C@H]2[C@H](NC(=O)[C@@H]3COCCN3C(C)=O)[C@H]2C1 962622790 ZTSGBMNTHQKVQL-LJISPDSOSA-N 307.394 -0.144 30 20 DBED O=C(C#CC1CC1)N1CCOC[C@@H]1CNC(=O)[C@@]12COC[C@@H]1C2 964212585 FNSGPSUHAOIPJZ-ZQIUZPCESA-N 318.373 -0.220 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2CN(C(=O)C(N)=O)C[C@@H]2C)nc1 966758003 XANZYHCANTUQBO-CABZTGNLSA-N 300.318 -0.875 30 20 DBED C[C@H]1CCN(CC#N)C[C@H]1NC(=O)c1cc(=O)n2[nH]cnc2n1 968543501 BWEJUSAMSFOZMZ-GXSJLCMTSA-N 315.337 -0.619 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1COCCO1 968561049 GQJVHTBTLAEESG-NDBYEHHHSA-N 307.350 -0.237 30 20 DBED COc1cccnc1C(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1O 969399739 PRXUXPUHQNWAID-AXFHLTTASA-N 318.333 -0.449 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)[C@@H]3CCC(=O)N(C)C3)C2)C1 972687852 KRUHZFGFAVSYQE-PBHICJAKSA-N 319.405 -0.209 30 20 DBED CNC(=O)CN1C[C@H]2[C@H](CNC(=O)c3c[nH]c(C#N)c3)[C@H]2C1 978027812 IAJOBCODDCQCPZ-XYYAHUGASA-N 301.350 -0.460 30 20 DBED CN(C)CCn1cc(C(=O)NC[C@H]2[C@@H]3CN(CC#N)C[C@H]23)cn1 978848600 NDUXDECRFGDOTF-QKDCVEJESA-N 316.409 -0.124 30 20 DBED C#Cc1ccc(C(=O)NCC2[C@@H]3CN(CC(=O)NC)C[C@@H]23)cn1 979007832 SFCIQSPBNSTZIF-GJZGRUSLSA-N 312.373 -0.284 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)C(N)=O)C1 979852322 AKOJZYKYPUGTQW-KKOKHZNYSA-N 309.366 -0.536 30 20 DBED C#CCCN1CCCC2(C1)CN(C(=O)Cn1c(O)nnc1O)C2 982131168 ROKAAAOTNLYJRU-UHFFFAOYSA-N 319.365 -0.363 30 20 DBED N#Cc1cc(C(=O)N[C@H]2C[C@H](CN[C@@H]3CCNC3=O)C2)c[nH]1 983506064 DNUAPGPATPTJJV-IRUJWGPZSA-N 301.350 -0.127 30 20 DBED C=CCN[C@@H]1CCN(C(=O)c2cn(CC(=O)N(C)C)nn2)[C@@H]1C 987575016 HNJBCQHUBCZROT-VXGBXAGGSA-N 320.397 -0.255 30 20 DBED C[C@@H]1C[C@H](NCC#N)CN1C(=O)Cn1[nH]cc2c(=O)ncnc1-2 989569095 RFSXJBIHULIMLH-ZJUUUORDSA-N 315.337 -0.826 30 20 DBED C#Cc1cncc(C(=O)N2CC(NC(=O)Cc3ccnn3C)C2)c1 991071085 XWNCUPZMCQVNCU-UHFFFAOYSA-N 323.356 -0.020 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)c3cnnc(O)c3)C2)nc1 997092574 HEKGSWZXYLQHON-UHFFFAOYSA-N 323.312 -0.187 30 20 DBED CN(C(=O)CN1C(=O)NC(C)(C)C1=O)C1CC(NCC#N)C1 999790163 SUGALLVZUBAXOJ-UHFFFAOYSA-N 307.354 -0.581 30 20 DBED N#Cc1cc(C(=O)NCC2CN(C(=O)[C@H]3COC(=O)N3)C2)c[nH]1 1001505717 IENFUHOHFSKMMU-LLVKDONJSA-N 317.305 -0.817 30 20 DBED C=CCn1cc(C(=O)N(C)C2CCN([C@@H](C)C(N)=O)CC2)nn1 1006104465 OVMQTHCRFZGCIX-NSHDSACASA-N 320.397 -0.126 30 20 DBED Cn1cc(C(=O)NC[C@H]2[C@@H]3CN(C(=O)C#CC4CC4)C[C@H]23)nn1 1009019163 STLPARRIMYTPAR-XYYAHUGASA-N 313.361 -0.337 30 20 DBED CC[C@@]1(C(=O)N2CCN(C(=O)[C@@H](C)C#N)CC2)CCNC1=O 1011317553 CMJMLUYTSQGDMN-XHDPSFHLSA-N 306.366 -0.267 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C(=O)[C@]2(C)CCNC(=O)C2)CC1 1011322948 DZEMVHPUUFBWTI-XHDPSFHLSA-N 306.366 -0.267 30 20 DBED C=CCn1cccc1C(=O)NC1[C@H]2CN(C(=O)C(N)=O)C[C@H]12 1013281926 ZTZRJQKTCCEKCY-UWVGGRQHSA-N 302.334 -0.654 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2C(NC(=O)c3cccn(C)c3=O)[C@@H]2C1 1013498142 IHUIWRMULGLUNX-YUSALJHKSA-N 314.345 -0.268 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H]2C(NC(=O)[C@H]3CN(C)C(=O)N3)[C@@H]2C1 1013542531 URLOFQMTHQOKLK-GMTAPVOTSA-N 320.393 -0.205 30 20 DBED C=CCN1CC[C@H](N2CC[C@H](NC(=O)Cc3nc[nH]n3)C2)C1=O 1015967626 KPVOOBZDMMGEHW-RYUDHWBXSA-N 318.381 -0.675 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(CN(C(=O)Cn3nccn3)C2)C1 1019054545 RCZQAOJFHBDMGT-NSHDSACASA-N 302.338 -0.501 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCN(C(=O)[C@]3(C)CCNC3=O)C2)C1 1019364756 LKDRJYOFIPKYCL-IAQYHMDHSA-N 318.377 -0.267 30 20 DBED C#CCN[C@H]1CCN(C(=O)COc2ccc(C(N)=O)cc2)C1 1019791711 IXNGNQGCMDKLBG-ZDUSSCGKSA-N 301.346 -0.012 30 20 DBED C=C(C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2nccn2)C1 1023896435 FEVAKBGECCPZKJ-VXGBXAGGSA-N 321.381 -0.432 30 20 DBED Cn1c(O)ncc(C(=O)NC[C@H]2CCCCN2CC#N)c1=O 1024593418 NRWGYQLTWFRYHR-SNVBAGLBSA-N 305.338 -0.406 30 20 DBED CN(CC#N)[C@H]1CCCN(C(=O)CCN2C(=O)CCC2=O)C1 1027482736 IBLLJPUKCWQPQF-LBPRGKRZSA-N 306.366 -0.028 30 20 DBED C#CCCN1CC[C@@H](CNC(=O)[C@@H]2CC(=O)N(CCOC)C2)C1 1028578056 JMGIVSYPSIIAHX-LSDHHAIUSA-N 321.421 -0.057 30 20 DBED C#CCN1[C@H]2CC[C@H]1CN(C(=O)c1ccc(S(N)(=O)=O)o1)C2 1029378544 QHJKSKFCRGGLTR-QWRGUYRKSA-N 323.374 -0.151 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN(CCn2cncn2)C1 1030463792 WLBPIHLBLLMKCH-AWEZNQCLSA-N 302.382 -0.824 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)[C@]3(C)CCC(=O)N3)C2)C1=O 1030912816 JMPLNQNXKINIPE-LRDDRELGSA-N 320.393 -0.758 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)Cc3cnc[nH]3)C2)C1=O 1031016653 RFQUSDOWASPOBA-ZDUSSCGKSA-N 303.366 -0.461 30 20 DBED CC#CCN1CC[C@@H](N(C)C(=O)CN2C(=O)NC(=O)C2(C)C)C1 1033556178 WQIOLUCBITTWMG-GFCCVEGCSA-N 320.393 -0.127 30 20 DBED C=CCCn1cc(C(=O)NC[C@@H]2CN(C[C@@H](C)O)CCO2)nn1 1035534509 ADIQSQPYIFVXJF-CHWSQXEVSA-N 323.397 -0.334 30 20 DBED O=C(C#CC1CC1)NC[C@]1(O)CCN(C(=O)c2cn[nH]c2)C1 1039677667 KSYGADMYPUHMEJ-OAHLLOKOSA-N 302.334 -0.484 30 20 DBED C=C(C)CCC(=O)NC[C@@]1(O)CCN(C(=O)Cn2ncnn2)C1 1039986674 FZVAABDXLJLNCP-AWEZNQCLSA-N 322.369 -0.891 30 20 DBED C=CCCCC(=O)NC[C@]1(O)CCN(C(=O)[C@H]2CCC(=O)N2)C1 1040728065 WDFSVWYTSPOLEB-MLGOLLRUSA-N 323.393 -0.299 30 20 DBED Cn1nccc1C(=O)NCC1(O)CN(C(=O)C#CC(C)(C)C)C1 1041897502 JKZTWLKQYMFIKE-UHFFFAOYSA-N 318.377 -0.227 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2cc[nH]c2C)C1 1042427695 MCXLDAVDUGELOK-LBPRGKRZSA-N 319.361 -0.335 30 20 DBED Cc1cc(C(=O)NCC2(O)CN(C(=O)[C@@H](C)C#N)C2)cnn1 1042779271 UYPVZILHGYGKHK-VIFPVBQESA-N 303.322 -0.752 30 20 DBED Cc1cc(C(=O)N2CC(O)(CNC(=O)C#CC3CC3)C2)n(C)n1 1042958969 QPARNQMTRRFZCR-UHFFFAOYSA-N 316.361 -0.555 30 20 DBED CC(C)(C)C#CC(=O)NCC1(O)CN(C(=O)c2cnccn2)C1 1042964442 FSRYNBFXCRLAKP-UHFFFAOYSA-N 316.361 -0.171 30 20 DBED C[C@@]1(C(=O)N[C@@H]2CN(c3cnc(C#N)cn3)C[C@@H]2O)CCOC1 1044145777 ZFUGXCRZTZDVSF-TYNCELHUSA-N 317.349 -0.559 30 20 DBED CC#CCCCC(=O)NCC1(O)CN(C(=O)c2ccncn2)C1 1044994240 MYCIPHLSDIFMSJ-UHFFFAOYSA-N 316.361 -0.027 30 20 DBED C=CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)c2ncccn2)C1 1045216886 KVBNIJASEFZOGU-LLVKDONJSA-N 320.349 -0.629 30 20 DBED CC(C)n1cnc(C(=O)N2CC(O)(CNC(=O)[C@H](C)C#N)C2)c1 1045560204 TYNDQGMJRNPUMV-LLVKDONJSA-N 319.365 -0.073 30 20 DBED C=C1CC(C)(C(=O)NCC2(O)CN(C(=O)Cn3cccn3)C2)C1 1046302582 OLXLDUCIUZWEQF-UHFFFAOYSA-N 318.377 -0.071 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]1(C)CCN(Cc2nnn(C)n2)C1 1046632212 VGGPPVGUGUBIFF-XUJVJEKNSA-N 320.397 -0.118 30 20 DBED CNC(=O)[C@@H](C)N1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]c(C#N)c2)C1 1047353792 LGGUYFYLHZHFKH-ICCXJUOJSA-N 319.365 -0.862 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCS(=O)(=O)C2)C1 1047448300 MHFHQGICZKLEMH-WOPDTQHZSA-N 302.396 -0.889 30 20 DBED CC(=O)CCCC(=O)N(C)[C@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1O 1048231345 MZQJLMSSOKJAHH-WXHSDQCUSA-N 309.366 -0.065 30 20 DBED CN(C(=O)CSCC#N)[C@H]1CN(C(=O)c2cocn2)C[C@@H]1O 1048302547 WIQHZRILWGTANR-QWRGUYRKSA-N 324.362 -0.425 30 20 DBED C=CCOCC(=O)N(C)[C@H]1CN(C(=O)c2ncoc2C)C[C@@H]1O 1048555023 NFLVWRMDTHDVHT-RYUDHWBXSA-N 323.349 -0.171 30 20 DBED C=CCCN1CCOC[C@H]1CNC(=O)[C@H]1CCS(=O)(=O)N1 1051247350 FLJXZARZBBBLNW-VXGBXAGGSA-N 317.411 -0.929 30 20 DBED Cc1nnc2n1C[C@@H](C(=O)NC[C@@H]1COCCN1CC#N)CC2 1051258349 MZLRMTOCVQECAK-QWHCGFSZSA-N 318.381 -0.511 30 20 DBED N#Cc1nccnc1N1CC[C@@H](NC(=O)c2cocn2)[C@H](O)C1 1051637317 HPCBUUNBNMAJQS-BXKDBHETSA-N 314.305 -0.294 30 20 DBED C#CCCN1CCN([C@H]2CCN(C(=O)[C@H]3COCCO3)C2)CC1 1051990957 YRCSHVWPBLLPGK-JKSUJKDBSA-N 321.421 -0.356 30 20 DBED CN1CC[C@H](C(=O)N2CC[C@@H](N3CCN(CC#N)CC3)C2)C1 1052117029 DKVJVYVZZNWGEF-LSDHHAIUSA-N 305.426 -0.320 30 20 DBED C#CCN1CCC[C@@H](NC(=O)c2cnc(O)n(C)c2=O)CC1 1052618014 QJQABWUEDCMIEG-LLVKDONJSA-N 304.350 -0.297 30 20 DBED C=CCN1CCC[C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)CC1 1052945168 DLIRJBDSFZMZGQ-VXGBXAGGSA-N 301.412 -0.165 30 20 DBED CC(=O)N1CCOC[C@H]1C(=O)N[C@H]1CCCN(CC#N)CC1 1052946740 COJIPGPORBDFKY-KBPBESRZSA-N 308.382 -0.272 30 20 DBED C#CCC1(C(=O)NC[C@@H]2CN(C(=O)C(N)=O)C[C@@H]2C)CCC1 1053307272 UELPBEXSPUUFBI-NWDGAFQWSA-N 305.378 -0.124 30 20 DBED C#CCN1CC2(CC[C@@H](CNC(=O)c3cc(=O)n(C)cn3)O2)C1 1053613417 DAQFAJKQLGSPCI-LBPRGKRZSA-N 316.361 -0.623 30 20 DBED C=CCN1CC2(C[C@@H](NC(=O)c3ccc(=O)n(C)n3)CO2)C1 1054001236 SNXPBIJTVHRYQP-LLVKDONJSA-N 304.350 -0.461 30 20 DBED N#Cc1cncc(NC[C@]23CCC[C@H]2CN(C(=O)C(N)=O)C3)n1 1055681375 NKQVSGHXOXITDN-BONVTDFDSA-N 314.349 -0.126 30 20 DBED C=CCOCC(=O)N[C@]1(CO)CCCN(C(=O)c2cc[nH]n2)C1 1055832393 WFIAQHBMXMSXMR-OAHLLOKOSA-N 322.365 -0.304 30 20 DBED N#Cc1cnc(N2CCN(C(=O)[C@@H]3CC[C@H]3C(N)=O)CC2)cn1 1055969984 FAIIDNZOSRRONA-VXGBXAGGSA-N 314.349 -0.492 30 20 DBED C[C@@H](C#N)C(=O)N[C@]1(CO)CCCN(C(=O)c2cnn(C)c2)C1 1056092765 CUDXWEGVPLWFQC-XHDPSFHLSA-N 319.365 -0.337 30 20 DBED C=CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)CSC 1056904304 UHEBJMMHBPINPB-NSHDSACASA-N 304.412 -0.122 30 20 DBED CC[C@@H](OC)C(=O)N(CCO)CCNC(=O)CSCC#N 1057154206 SVVRUXYIQXVLME-LLVKDONJSA-N 317.411 -0.395 30 20 DBED C=CCn1cc(C(=O)NCCN(CCO)C(=O)/C(C)=C\C)nn1 1057309791 LZOQCULPUMBFMF-XGICHPGQSA-N 321.381 -0.019 30 20 DBED C=CC(C)(C)C(=O)NCCN(CCO)C(=O)CC(=O)NCC 1057394008 CTIPZFOBNJMNBG-UHFFFAOYSA-N 313.398 -0.338 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)[C@@]12COC[C@@H]1C2 1057830823 TYSXBXOOZZFUIK-BBRMVZONSA-N 308.378 -0.237 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)[C@@H]1CC(=O)N(C)C1 1057851192 CJXJROQEEYTYMU-CYBMUJFWSA-N 323.393 -0.939 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)[C@@H]1CCN(C)[C@@H]1C 1058661360 UQOJMSHMYDVYIJ-JHJVBQTASA-N 310.398 -0.577 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)c1c[nH]nc1C1CC1 1058692540 DGYUCYKRUCNFFM-JTQLQIEISA-N 319.365 -0.003 30 20 DBED CN(C[C@H]1CCCN(C(=O)C(N)=O)C1)c1ccnc(C#N)n1 1058702162 JUWPFKLUNXYYPD-SNVBAGLBSA-N 302.338 -0.492 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H](N=c2cc[nH]c(C#N)n2)C1 1059455989 OSDVRHIKYCGGGN-IHRRRGAJSA-N 324.388 -0.073 30 20 DBED N#Cc1cnc(NC[C@@H]2CCN(C(=O)[C@@H]3CCNC3=O)C2)cn1 1060954335 FJKLSMGHQWYZCZ-CMPLNLGQSA-N 314.349 -0.255 30 20 DBED O=C(C#CC1CC1)NC[C@H]1COCCN1C(=O)[C@@]1(F)CCOC1 1061572742 CRDYCSBJNFPQMU-XJKSGUPXSA-N 324.352 -0.128 30 20 DBED CCCN(C)CC(=O)N1CCOC[C@H]1CNC(=O)[C@@H](C)C#N 1061847569 LZVCFUJFVKXOHK-QWHCGFSZSA-N 310.398 -0.169 30 20 DBED CN(C(=O)Cc1nc[nH]n1)[C@@H]1CCN(c2nccnc2C#N)C1 1062976542 NXAFSNJONOQYCY-SNVBAGLBSA-N 312.337 -0.254 30 20 DBED N#Cc1cccnc1N1CCO[C@@H](CNC(=O)c2nc[nH]n2)C1 1063639983 WANRJHYRJVAPIF-NSHDSACASA-N 313.321 -0.293 30 20 DBED C=C[C@](C)(O)CC(=O)NC1(CNC(=O)[C@@H]2CCC(=O)N2)CCC1 1063837063 FHBZTBPMJVXGMN-NHYWBVRUSA-N 323.393 -0.253 30 20 DBED N#Cc1nc(=NC[C@@H]2CCC[C@@H]2NC(=O)c2nc[nH]n2)cc[nH]1 1064105610 HQDWOWZSHDJDMN-UWVGGRQHSA-N 312.337 -0.101 30 20 DBED C=CCOCC(=O)N1CCO[C@@H](CNC(=O)c2n[nH]cc2C)C1 1064970380 NRPDXXSOQOOGAR-LBPRGKRZSA-N 322.365 -0.122 30 20 DBED C#CCCCC(=O)N1CCO[C@H](CNC(=O)CC(=O)N(C)C)C1 1065097015 NHAVTQWUCHUDKF-CYBMUJFWSA-N 323.393 -0.388 30 20 DBED C#CCC1(C(=O)NC[C@H]2CN(C(=O)C(N)=O)CCO2)CCC1 1065549932 AISCBIQDHDCKJL-NSHDSACASA-N 307.350 -0.991 30 20 DBED C=CCCC(=O)N1CC[C@H](N2CCN(C(=O)C(N)=O)CC2)C1 1065692245 AKABVAKBVMJRBD-LBPRGKRZSA-N 308.382 -0.817 30 20 DBED CC(=O)NCC(=O)N1CC2(CC[C@H](CNC(=O)[C@@H](C)C#N)O2)C1 1068617670 DTGZDEIOEHAJQB-CMPLNLGQSA-N 322.365 -0.842 30 20 DBED CCC1(NC(=O)[C@@H]2CNC(=O)N2)CCN(C(=O)[C@H](C)C#N)CC1 1069580624 GZQYIZMPUBNZDR-MNOVXSKESA-N 321.381 -0.285 30 20 DBED C=CCN1CCn2ncc(CNC(=O)[C@H]3COCCN3C)c2C1 1069858350 QEYWPFCSZDQLDR-OAHLLOKOSA-N 319.409 -0.169 30 20 DBED O=C(C#CC1CC1)NC1(CNC(=O)c2cnn[nH]2)CCOCC1 1070112393 XNHPIWNXPUEHRT-UHFFFAOYSA-N 317.349 -0.387 30 20 DBED C=CCN[C@@H]1CN(C(=O)C2=COCCO2)C[C@@H]1n1ccnn1 1070132328 XFRPEVOCCIMQKE-NEPJUHHUSA-N 305.338 -0.306 30 20 DBED C=CCN[C@@H]1CN(C(=O)C2CN(C(C)=O)C2)C[C@@H]1n1ccnn1 1070184046 HDEGOHKABWZUBC-KGLIPLIRSA-N 318.381 -0.716 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2cnn(C)c2)C[C@H]1c1cncn1C 1070618761 VZTQDPUJKHIYNX-ZIAGYGMSSA-N 312.377 -0.015 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)[C@H]2CCCN2C)CC1 1070946071 QKVPEOMVJQVBIR-CQSZACIVSA-N 308.426 -0.083 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H](C)[C@H](NC(=O)CSC)C1 1071932670 LRPYJIKVQULZIN-WDEREUQCSA-N 311.407 -0.548 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](NC(=O)c2cocn2)[C@H](C)C1 1071936915 VSXLBRQXMUTQAT-GHMZBOCLSA-N 318.333 -0.609 30 20 DBED CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H]1CN(CC#N)CCCO1 1073769404 GJYZPVHUVACMRR-FRRDWIJNSA-N 308.382 -0.559 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CCN(C(=O)c2cnon2)CC1 1074688180 PDGWVIPNBMKEBX-VIFPVBQESA-N 307.310 -0.687 30 20 DBED C=CCOCC(=O)N1CC[C@@H](NC(=O)Cn2cnnn2)C[C@H]1C 1074807752 IVMATPANYIZQQI-VXGBXAGGSA-N 322.369 -0.629 30 20 DBED C=CCCN1C[C@@H]2CCN(C(=O)CN3CCOCC3=O)[C@@H]2C1 1075889156 GFPDENXCUCGWCG-UONOGXRCSA-N 307.394 -0.046 30 20 DBED C=CCOCCCC(=O)NCC[C@H](C)NC(=O)CNC(N)=O 1076034086 ZWQIEWXKLMNOCW-NSHDSACASA-N 314.386 -0.352 30 20 DBED C#CCO[C@H](C)C(=O)NCC[C@H](C)NC(=O)Cn1nccn1 1076509434 XNWDMGPNFSIJIH-NWDGAFQWSA-N 307.354 -0.673 30 20 DBED Cn1ncc(C2CCC2)c1C(=O)N[C@@H]1CN(CC#N)C[C@H]1O 1077031659 WHZMVEIUXGSJLT-CHWSQXEVSA-N 303.366 -0.014 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2c[nH]nc2-c2ccncc2)C1 1077298055 LTHRVMWPRUFQAY-CHWSQXEVSA-N 312.333 -0.230 30 20 DBED C=C1CCC(C(=O)N[C@@H]2CN(CC(=O)N(C)C)C[C@H]2O)CC1 1077621600 QSAFEZGCKPGUSN-ZIAGYGMSSA-N 309.410 -0.018 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(Cc2nonc2C)C[C@H]1O 1077694314 LXAMFMSHVVWNBK-ZRJCITRHSA-N 322.365 -0.370 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)c2cn([C@H]3CCOC3)nn2)C1 1077963948 NHPYMAJBSPKMDS-OUCADQQQSA-N 319.365 -0.962 30 20 DBED CCS(=O)(=O)CC(=O)N[C@@H](C)CCNC(=O)[C@@H](C)C#N 1078134674 FYSMPOCPXVKYBK-UWVGGRQHSA-N 303.384 -0.408 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)Cn2c(C)c(C)sc2=O)C1 1078226742 PYHLLRQJYQZEBF-CHWSQXEVSA-N 323.418 -0.289 30 20 DBED C=CCN[C@H]1C[C@@H](NC(=O)CN2C(=O)CNC2=O)C12CCC2 1078803240 LQHCCJCSZWSACS-WDEREUQCSA-N 306.366 -0.259 30 20 DBED C=CCOCC(=O)N(CC)C1CN(C(=O)c2ncn(C)n2)C1 1079490347 KMCQSGRSEOZXMM-UHFFFAOYSA-N 307.354 -0.309 30 20 DBED COC[C@H](C)C(=O)NC1(CO)CCN(C(=O)[C@@H](C)C#N)CC1 1080772521 YNVZUMJENBUFTC-RYUDHWBXSA-N 311.382 -0.102 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)CN(C)C(C)=O)C1 1081289882 QHFRDPAYECZTRE-CHWSQXEVSA-N 311.382 -0.634 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)c2ccncn2)C[C@@H]1O 1081335718 ORGVNUSWNXEYAH-YPMHNXCESA-N 304.350 -0.008 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)c2cnn(CC)n2)C[C@@H]1O 1081335782 PJBNYCZSADASGE-YPMHNXCESA-N 321.381 -0.187 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1O 1081336255 WHCQYYUTDGFNCL-GHMZBOCLSA-N 309.366 -0.846 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(C(=O)Cc2ccc[nH]2)C[C@@H]1O 1081475150 XRFHIASGSSBIEJ-HIFRSBDPSA-N 315.373 -0.094 30 20 DBED C=C(C)CCC(=O)NC[C@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1O 1081530989 MRSSOZDDECNANB-WCQYABFASA-N 321.381 -0.280 30 20 DBED C=CCCC(=O)N1C[C@H](CNC(=O)c2cn(C)c(O)n2)[C@@H](O)C1 1081732641 JLVFXJYODBVMRW-JQWIXIFHSA-N 322.365 -0.359 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2n[nH]cc2F)C1 1081744741 RWDWPEVXXHVTNA-CMPLNLGQSA-N 322.340 -0.243 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)Cc2nc[nH]n2)C1 1081791828 XEFFBZPMGRWWNU-WDEREUQCSA-N 307.354 -0.751 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2ccnnc2)C1 1081797547 NCKYJYMAUYAFKR-QWHCGFSZSA-N 320.349 -0.772 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)CN2CCCCCC2=O)C1 1084034346 CQXOLLKPUMHKQN-KGLIPLIRSA-N 307.394 -0.426 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2nc(C)c(C)[nH]c2=O)[C@@H](O)C1 1090356803 YYBVAHXWLZVBJX-STQMWFEESA-N 318.377 -0.425 30 20 DBED N#CCN1CC(OC2CCN(C(=O)C[C@@H]3CCNC3=O)CC2)C1 1093542278 RRZONMWERKGSJN-LBPRGKRZSA-N 320.393 -0.272 30 20 DBED Cc1nc2ccnn2cc1C(=O)NCCN=c1cc[nH]c(C#N)n1 1093819287 MBORHEYEOVDXPG-UHFFFAOYSA-N 322.332 -0.037 30 20 DBED Cn1cc(OCC(=O)NCCNc2cncc(C#N)n2)cn1 1094069396 PVVLBCJCGIXZKS-UHFFFAOYSA-N 301.310 -0.311 30 20 DBED Cc1cc(=NCCCNC(=O)[C@H]2COC(=O)N2)c(C#N)c[nH]1 1094387878 JDYVKNDPERLLFG-GFCCVEGCSA-N 303.322 -0.290 30 20 DBED C[C@@H](C(=O)NCCCNc1nccnc1C#N)S(C)(=O)=O 1094876979 HYIBUCABDILWSD-VIFPVBQESA-N 311.367 -0.300 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H](C)Nc1cnc(C#N)cn1 1097768692 QFMLCSSPAZIHHN-JTQLQIEISA-N 300.322 -0.596 30 20 DBED C[C@@H](CNC(=O)[C@]1(C)CCNC1=O)N=c1cc[nH]cc1C#N 1098261499 QRGCAGCNHFVHES-ZUZCIYMTSA-N 301.350 -0.182 30 20 DBED N#CCN(CCO)C1CCN(C(=O)[C@H]2CCCC(=O)N2)CC1 1098401520 WBYVYGAOSIPFJA-CYBMUJFWSA-N 308.382 -0.536 30 20 DBED C#CCNCc1cn([C@@H]2CCN(C(=O)[C@@]34COC[C@@H]3C4)C2)nn1 1098675414 ATQWOJGDVSCKMP-BJJXKVORSA-N 315.377 -0.189 30 20 DBED C[C@H](CCNC(=O)Cn1ncnn1)N=c1cc[nH]cc1C#N 1099553249 KGSOQAHSOBNXJY-SNVBAGLBSA-N 300.326 -0.631 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(Cc2cn(C)nn2)C[C@H]1O 1099737634 BFZZMLMTBKJJOX-CHWSQXEVSA-N 309.370 -0.931 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2c[nH]nc2C)[C@@H](O)C1 1099937733 MUFYNMNOIMXSJG-KBPBESRZSA-N 306.366 -0.467 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)[C@@H]2C[C@@H]3C[C@@H]3C2)[C@H](O)C1 1099952156 PCTCLOJTJNDAOQ-VYDRJRHOSA-N 321.421 -0.114 30 20 DBED CCn1ncc(C(=O)NCCN(C)c2ccc(C#N)nn2)n1 1100061080 KRPQGRCWQFPVSK-UHFFFAOYSA-N 300.326 -0.174 30 20 DBED C=C(Cl)CN1CC[C@@H](NC(=O)COCCN(C)C)[C@H](O)C1 1100073938 HQYUNNTUMRIXMD-CHWSQXEVSA-N 319.833 -0.132 30 20 DBED CCS(=O)(=O)CC(=O)NCCN(C)c1ccc(C#N)nn1 1100148407 SXMFPEKCNUQBSR-UHFFFAOYSA-N 311.367 -0.665 30 20 DBED Cc1[nH]nc(C(=O)NCC2CC(NCC(=O)NCC#N)C2)c1C 1100199612 SAWRPYCSKIXWIL-UHFFFAOYSA-N 318.381 -0.236 30 20 DBED N#CCNC(=O)CNC1CC(CNC(=O)c2ccncn2)C1 1100767964 KRHKYWQPHPKGTR-UHFFFAOYSA-N 302.338 -0.786 30 20 DBED N#Cc1nccc(N(CCNC(=O)[C@H]2CCC(=O)N2)C2CC2)n1 1101303997 LRHSTWKHWZOFCI-LLVKDONJSA-N 314.349 -0.288 30 20 DBED CN(CCNc1ccc(C#N)nn1)C(=O)[C@H]1COCCN1C 1101564269 KSSRTWPRHPPQIZ-GFCCVEGCSA-N 304.354 -0.451 30 20 DBED CO[C@H](C(=O)N(C)CCN=c1cc[nH]c(C#N)n1)[C@@H]1CCOC1 1101881930 RRICTEDNDDURQK-RISCZKNCSA-N 319.365 -0.308 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)c2cc[nH]n2)C1 1102690728 TUNLUQAINLTNEI-CHWSQXEVSA-N 317.393 -0.153 30 20 DBED C[C@@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)CNc1cncc(C#N)n1 1104210771 ZOJJBHICOGPNFJ-IEBDPFPHSA-N 302.338 -0.366 30 20 DBED CN(CCN(C)c1ncccc1C#N)C(=O)c1nnn(C)n1 1105535240 LPSOPUJOEZKRRH-UHFFFAOYSA-N 300.326 -0.315 30 20 DBED CNC(=O)NCC(=O)N(C)CCN(C)c1ccc(C#N)nc1 1105592444 JDJABYYRAGQXHV-UHFFFAOYSA-N 304.354 -0.223 30 20 DBED N#Cc1cccnc1NC[C@H](O)CNC(=O)[C@H]1COCCO1 1105780731 UQZRMIMPEYVBHX-NWDGAFQWSA-N 306.322 -0.742 30 20 DBED Cn1nccc1CC(=O)NC[C@@H](O)CNc1ccc(C#N)nn1 1105806147 QVHRVHJDUNXDCG-LBPRGKRZSA-N 315.337 -0.787 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)[C@H](CC)OC)C[C@H]1C 1105907035 VBZGCQVVUOLXEF-MCIONIFRSA-N 309.410 -0.155 30 20 DBED N#Cc1cccnc1NC[C@H](O)CNC(=O)C12CCN(CC1)C2 1105917780 OZUXXWYXUMQQRS-ZDUSSCGKSA-N 315.377 -0.062 30 20 DBED C[C@]1(C(=O)NC[C@H](O)CN=c2cc[nH]c(C#N)n2)CCOC1 1105939711 YSEVTNVOBSCKOW-YGRLFVJLSA-N 305.338 -0.914 30 20 DBED CCN(C)C(C)(C)C(=O)NC[C@@H](O)CNc1cnc(C#N)cn1 1106010891 HHUVMIQDFDNXRK-LBPRGKRZSA-N 320.397 -0.032 30 20 DBED CCN(CCNc1ccc(C#N)nn1)C(=O)[C@@H]1COC(=O)N1 1106754679 RRHKDIDQFJXSRQ-JTQLQIEISA-N 304.310 -0.283 30 20 DBED C=CCN1CC(n2cc(CNC(=O)[C@]3(C)CCC(=O)N3)nn2)C1 1107209189 JWHFTSMBFPHBGF-HNNXBMFYSA-N 318.381 -0.394 30 20 DBED C=CCOCCCC(=O)NC[C@@]1(C)CN(CC(N)=O)CCO1 1107838448 AOMNGKDXYWFNDZ-HNNXBMFYSA-N 313.398 -0.338 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)[C@H](CC(C)C)C(N)=O)C1 1108445883 VGZXOZWGBCZROC-CJNGLKHVSA-N 309.410 -0.026 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)C[C@](C)(O)C=C)CC2=O)C1 1108538429 HFJKSTFAZIIDOD-BLLLJJGKSA-N 305.378 -0.652 30 20 DBED COCC(=O)N[C@@H](C)C(=O)N[C@@H](C)CNc1cncc(C#N)n1 1108746598 QTWKTMJXQRGINO-UWVGGRQHSA-N 320.353 -0.584 30 20 DBED COc1cc(C(=O)N[C@@H](C)CN=c2cc[nH]c(C#N)n2)nn1C 1108801456 KCXRQVKNECMMKQ-VIFPVBQESA-N 315.337 -0.257 30 20 DBED C[C@H](CN(C)c1nccnc1C#N)NC(=O)c1cc(=O)n(C)o1 1108917488 GGNOMOHQFROJKW-SECBINFHSA-N 316.321 -0.105 30 20 DBED C[C@H](CN(C)c1ccnc(C#N)n1)NC(=O)Cn1cncn1 1108960839 UFMINEUEDOFECB-SNVBAGLBSA-N 300.326 -0.419 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCCOC 1108985535 HYGZBIFJPZXGHO-RDBSUJKOSA-N 307.394 -0.116 30 20 DBED N#Cc1nccnc1N1C[C@H]2C[C@H]1[C@H]2NC(=O)CCc1nc[nH]n1 1109693534 WUDVBXGKALZKTR-PUYPPJJSSA-N 324.348 -0.208 30 20 DBED CNC(=O)NCC(=O)N[C@@H](CN=c1cc[nH]cc1C#N)C1CC1 1110005345 QCYWPOGKAHIHTA-ZDUSSCGKSA-N 316.365 -0.389 30 20 DBED N#Cc1cncc(NC[C@@H]2CCCN2C(=O)CNC(N)=O)n1 1110530373 ZXKMFVIVGSBRDJ-JTQLQIEISA-N 303.326 -0.581 30 20 DBED CNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C#CC(C)C 1110534306 WEJVJEYEHBBBBE-UPJWGTAASA-N 320.393 -0.177 30 20 DBED C[C@@]1(NC(=O)CNC(N)=O)CCN(c2ncc(C#N)cc2F)C1 1110709213 VBNNRWJVKJZDPZ-CQSZACIVSA-N 320.328 -0.154 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1c[nH]nc1C 1110876108 BADOTMJCNXNWDR-BNOWGMLFSA-N 315.377 -0.197 30 20 DBED C#CCOCCC(=O)NC[C@]1(O)CCN(c2nccc(C)n2)C1 1111098696 UIWCCWHZPDDNCU-MRXNPFEDSA-N 318.377 -0.118 30 20 DBED CO[C@@H](C)C(=O)N[C@]1(CO)CCCN(c2nccnc2C#N)C1 1111336071 HEJFUBZCKKLXJG-XHDPSFHLSA-N 319.365 -0.169 30 20 DBED CCS(=O)(=O)NCCCN1CCN(C(=O)[C@H](C)C#N)CC1 1112710824 IXRQTAZFDRYRKT-GFCCVEGCSA-N 316.427 -0.380 30 20 DBED C=CCO[C@H](C)C(=O)N1CCN(CCN2CCNC2=O)CC1 1113712765 FHVOEEXXBVELQJ-CYBMUJFWSA-N 310.398 -0.253 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)[C@H](C)OCC=C)CC1 1113714636 IIMYDNYAGDJACJ-KGLIPLIRSA-N 307.394 -0.140 30 20 DBED C[C@H](CNC(=O)C[C@@H]1CCNC1=O)N(C)c1ccnc(C#N)n1 1113755576 GTIFDXYAYBZHKO-MNOVXSKESA-N 316.365 -0.185 30 20 DBED C[C@@H](CNC(=O)[C@H]1CC(=O)N(C)C1)N(C)c1cnc(C#N)cn1 1113944291 ZBCLPTQIQLDHAO-QWRGUYRKSA-N 316.365 -0.233 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)c3coc(C)n3)[C@@H]2C1 1114177798 DAJXKTSCILCSPF-GHMZBOCLSA-N 304.350 -0.055 30 20 DBED COC1(CC(=O)NC2[C@H]3CN(CC(=O)NCC#N)C[C@H]23)CCC1 1114197284 WHDHMROMTIFHIT-RYUDHWBXSA-N 320.393 -0.368 30 20 DBED C#CCCCC(=O)N[C@H]1[C@@H]2CN([C@H](C)C(=O)NC(N)=O)C[C@@H]21 1114200554 AWUNYLSMAAIYAP-DCQANWLSSA-N 306.366 -0.580 30 20 DBED C=CCOCCN1C[C@H]2C(NC(=O)[C@H]3CN(C)C[C@@H](C)O3)[C@@H]2C1 1114453868 ROWGVCJAWKGROG-KBUPBQIOSA-N 323.437 -0.046 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)CCCC#CC)[C@H]2C1 1114710867 LGPAZHNGJOCBTL-HALDLXJZSA-N 301.390 -0.024 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)c3nccs3)[C@H]2C1 1115011388 UAUVEUZKKDUBEG-WYUUTHIRSA-N 318.402 -0.059 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)[C@H](C)N3CCOCC3)[C@H]2C1 1115357226 YIIVDMWHSDQGIZ-CAOSSQGBSA-N 321.421 -0.597 30 20 DBED Cc1cc(=O)n(C)cc1NC(=O)C(=O)N1CCO[C@@H](C#N)C1 1116526065 QCLNSVNMJHKHEY-JTQLQIEISA-N 304.306 -0.617 30 20 DBED C#CCSCCNC(=O)C(=O)N[C@@H]1CC[C@H]2CNC[C@H]2C1 1117978617 MPWMHPZJOZYELR-YNEHKIRRSA-N 309.435 -0.027 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)NCc2ccc(F)cn2)C1 1118150199 ACKZXUNLTBJEMR-AWEZNQCLSA-N 306.297 -0.286 30 20 DBED C[C@H](O)CN(C(=O)C(=O)NC1CCN(CC#N)CC1)C1CC1 1118340043 DOSIFCNECLSWIU-NSHDSACASA-N 308.382 -0.538 30 20 DBED C[C@H](O)[C@H]1CCN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1 1118949823 BVLOMULBSXCPGO-OBJOEFQTSA-N 320.393 -0.586 30 20 DBED C#CCCCn1nnnc1N1CCC(C(=O)NCCO)CC1 1120155558 FTTKBWNZOAXPPA-UHFFFAOYSA-N 306.370 -0.589 30 20 DBED Cn1ccc(CC(=O)NC[C@H](CO)Nc2ccc(C#N)nn2)n1 1121480544 LBEQHGAPXFRETD-GFCCVEGCSA-N 315.337 -0.787 30 20 DBED C#CCOCCC(=O)NC[C@H](CO)Nc1ncnc2c1CCC2 1122027680 JBNCNZCNEHFWDJ-GFCCVEGCSA-N 318.377 -0.106 30 20 DBED CCNC(=O)CC(=O)N(C)C[C@@H](O)CNc1ccc(C#N)nc1 1124315380 TUPPHVGLCIPUEO-ZDUSSCGKSA-N 319.365 -0.289 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]cc1C#N)C(=O)Cc1cnoc1 1124689596 VZWZEGIGUKATSV-ZDUSSCGKSA-N 315.333 -0.163 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)[C@H]1CN(C)CCO1 1125227764 YUYHOLBLOQJWDX-CQSZACIVSA-N 324.425 -0.777 30 20 DBED C#CCO[C@@H](C)C(=O)NCCNCCCNC(=O)C(F)(F)F 1127046625 TWNHQMXTOSMTLA-JTQLQIEISA-N 323.315 -0.201 30 20 DBED C=C(Cl)CNCCNC(=O)[C@@H]1CC(=O)N(CCOC)C1 1128651322 UDCGGZNTAVKJLK-LLVKDONJSA-N 303.790 -0.060 30 20 DBED CC#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)CSCC#N)C1 1128731900 VAQKRSIEOBLWGS-OLZOCXBDSA-N 318.406 -0.100 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)c1cnc(C)nc1OC 1128919145 XCLMYKCUHUZPKE-JTQLQIEISA-N 321.381 -0.196 30 20 DBED C#CCC1(C(=O)NCCNCc2nnn(C)n2)CCOCC1 1129116924 NHFRJXMHUUULMN-UHFFFAOYSA-N 306.370 -0.764 30 20 DBED CC#CCN[C@@H]1CN(C(=O)c2cnc(C)[nH]2)C[C@@H]1n1ccnn1 1129703490 FDNQXHUZWQTKEV-KGLIPLIRSA-N 313.365 -0.012 30 20 DBED CCO[C@@H](C(=O)N1C[C@H](n2ccnn2)[C@H](NCC#N)C1)C1CC1 1129845612 QRGPLGGTWKYGQZ-HZSPNIEDSA-N 318.381 -0.042 30 20 DBED C#CCO[C@H](C)C(=O)NCc1c[nH]nc1[C@@H]1CCN(CCO)C1 1130386694 PYFHDVVKBSRQHB-CHWSQXEVSA-N 320.393 -0.154 30 20 DBED C#CCNC(=O)CNCCNC(=O)C[C@H](C)c1c(C)n[nH]c1C 1130459205 CHRWVWACINWRAB-NSHDSACASA-N 319.409 -0.025 30 20 DBED Cc1nc2c(C(=O)NCCNCC(=O)NCC#N)ccnc2[nH]1 1131597509 JCPLPASLVGCDLZ-UHFFFAOYSA-N 315.337 -0.775 30 20 DBED Cc1nnsc1C(=O)N[C@H](C)C[C@@H](C)NCC(=O)NCC#N 1133696780 ISBFJEMBZSFWJS-RKDXNWHRSA-N 324.410 -0.027 30 20 DBED C=CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)c1nccnc1N 1133952851 FMWRAWQGSOAGAR-GHMZBOCLSA-N 320.397 -0.153 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)C[C@@H](C)NCC(=O)NCC 1134130985 OYDOMUMBSXMWAA-VXGBXAGGSA-N 310.398 -0.865 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)C1=CCOCC1)NCC(=O)NCC#N 1134159718 DBDFRPSTBPSWED-NWDGAFQWSA-N 308.382 -0.154 30 20 DBED COCC#CCN[C@@H](C)C[C@@H](C)NC(=O)CCn1cnnn1 1135763723 APVPLLXKIZPWNJ-QWHCGFSZSA-N 308.386 -0.414 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)C[C@@H](C)N1CCCC1=O 1147614886 KTIVZSHXPDWRCP-CHWSQXEVSA-N 324.425 -0.216 30 20 DBED COCC#CCNCC1(CCNC(=O)Cn2cnnn2)CC1 1163348877 AIPBABNGHLREOD-UHFFFAOYSA-N 306.370 -0.801 30 20 DBED O=C(C#CC1CC1)N1CC[C@H]2OCCN(CCOCCO)[C@H]2C1 1177005692 JHHKKRCOFPVRKI-JKSUJKDBSA-N 322.405 -0.290 30 20 DBED COCC(=O)N1C[C@H]2CC[C@H]1[C@@H](CNCC(=O)NCC#N)C2 1177555498 KCOMGFDUFXGSBO-XQQFMLRXSA-N 308.382 -0.511 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2cc(CC)[nH]n2)C1 1181074596 BQLDUELAZQKRGS-GFCCVEGCSA-N 303.366 -0.474 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2cn(C)cn2)C1 1182014686 HWNQAGYZYUVREI-NWDGAFQWSA-N 303.366 -0.638 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2cncn2C)C1 1184000924 VQVFIBPJPZSMHS-NWDGAFQWSA-N 303.366 -0.638 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)C2CCN(C)CC2)C1 1185401177 LWLNUXYLLTVNFE-CQSZACIVSA-N 308.426 -0.179 30 20 DBED CN(CC(=O)N1CC[C@@H](NCC(=O)NCC#N)C1)CC(C)(C)C 1185722842 BNTQSPPSMDNLOX-CYBMUJFWSA-N 323.441 -0.205 30 20 DBED COCC#CCN1C[C@@H]2CCN(C(=O)[C@H]3CCNC3=O)[C@@H]2C1 1188759617 FJGQGLUTNUFRDP-MELADBBJSA-N 305.378 -0.695 30 20 DBED CN(CC(=O)NCC#N)[C@H]1CCN(C(=O)[C@H]2CCCOCC2)C1 1189875203 WSBFXTQWPRDICZ-KBPBESRZSA-N 322.409 -0.024 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@H]1CCN(C(=O)C(C)(C)C(N)=O)C1 1190776482 OGYATVUQMJBPMT-RYUDHWBXSA-N 322.409 -0.832 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2oc(C)nc2C)C1 1192014709 RRHAGXXVXREJFH-VXGBXAGGSA-N 322.365 -0.631 30 20 DBED C=CCN1CC[C@@H](N2C[C@@H](O)[C@H](NC(=O)/C=C/C3CC3)C2)C1=O 1192062959 RKIRNYAUBHFFOK-YVSHFGMPSA-N 319.405 -0.099 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C2(CC=C)CCC2)C1 1195896939 HIRNSPYWAVNNMO-ZIAGYGMSSA-N 319.405 -0.357 30 20 DBED C=CCCC1(C(=O)N[C@@H]2CN(C[C@H](O)COC)C[C@H]2O)CC1 1195906387 YOXWHWQMBIXSFD-BFHYXJOUSA-N 312.410 -0.099 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)CN2CC[C@@H](C)C2)C1 1196169770 ZAKCAXHGZOKERJ-RBSFLKMASA-N 309.410 -0.861 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2C2CCC2)C1 1196803641 KJYJRSPLLDVYIF-GBJTYRQASA-N 319.405 -0.667 30 20 DBED C=C[C@@H](C(=O)N[C@@H]1CN(CC(=O)NC)C[C@H]1O)c1ccccc1 1198950234 MPRRUVGSUYUDLQ-RBSFLKMASA-N 317.389 -0.137 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)c2cnns2)CC1 1199491750 XSJCUZVKOLPFCF-UHFFFAOYSA-N 307.379 -0.518 30 20 DBED C#CCCNC[C@H]1CN(C(=O)CN2CCOCC2)CCCO1 1200290978 KRQFDEMLENBHOA-HNNXBMFYSA-N 309.410 -0.451 30 20 DBED COCC#CCNC[C@H]1CN(C(=O)[C@H](O)C(C)C)CCCO1 1200410915 FXHHEZRETLPMJD-LSDHHAIUSA-N 312.410 -0.140 30 20 DBED C[C@H]1CCN(C(=O)C(=O)N2CCCO[C@H](CNCC#N)C2)C1 1201824193 RCTIVBGXCVCEQL-QWHCGFSZSA-N 308.382 -0.415 30 20 DBED N#CCNC(=O)CN[C@H]1C[C@@H](NC(=O)c2cnon2)C12CCC2 1203506690 KNOWPMQQTWFXND-WDEREUQCSA-N 318.337 -0.660 30 20 DBED C=CCCNCC1CCN(C(=O)CNS(=O)(=O)NC)CC1 1205762799 NSKNLNIFZNSMBH-UHFFFAOYSA-N 318.443 -0.556 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)c2cnn(C)c2)[C@H](C)C1 1205922051 QPOYSCFBTBEEDZ-MBNYWOFBSA-N 317.393 -0.392 30 20 DBED COCC#CCN[C@@H]1CCCN(C(=O)CCS(C)(=O)=O)C1 1208432459 BSIIUPQSYLMNDZ-CYBMUJFWSA-N 316.423 -0.349 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)c2ccc[nH]2)[C@H](OC)C1 1211835981 RAVUXBGYOSJOMX-CHWSQXEVSA-N 306.366 -0.254 30 20 DBED CCn1nncc1CN1C[C@@H](NC(=O)[C@@H](C)C#N)[C@H](OC)C1 1212039273 IHTXAMATMLTIEV-CYZMBNFOSA-N 306.370 -0.227 30 20 DBED C#CCCN1C[C@@H](NC(=O)CNC(=O)[C@@H](C)CC)[C@H](OC)C1 1213872184 WNTBSDVUVGQQBB-BFHYXJOUSA-N 309.410 -0.013 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](NCCNS(C)(=O)=O)[C@H](C)C1 1214338594 UKAUEUIJCGWAHE-GMTAPVOTSA-N 302.400 -0.868 30 20 DBED COC[C@H](O)CN[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C 1214406905 LBZCXAFMZDLXGU-MPKXVKKWSA-N 306.366 -0.056 30 20 DBED CO[C@@H](C(=O)N1C[C@@H](NCC(=O)NCC#N)[C@H](C)C1)C(C)C 1215465433 NOZNXJHPZQRQEE-YRGRVCCFSA-N 310.398 -0.266 30 20 DBED C=CCCN[C@@H]1CN(C(=O)CN2C(=O)CN(C)C2=O)C[C@H]1C 1216710666 PSCMNBCHKPTPRJ-VXGBXAGGSA-N 308.382 -0.107 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)COCC 1217230001 BLIUDGYNANAKSJ-QWHCGFSZSA-N 311.382 -0.763 30 20 DBED C#CCO[C@H](C)C(=O)N1CCO[C@@H]2CN(CCCOC)C[C@@H]21 1217868652 MRJSQMSIGFJPKC-QLFBSQMISA-N 310.394 -0.027 30 20 DBED C=C[C@](C)(CC)C(=O)N[C@@H]1CN(CCOCCO)C[C@@H]1O 1220293655 PLDBHBVBXDSPGK-VNHYZAJKSA-N 300.399 -0.241 30 20 DBED Cc1ccccc1C(=O)NCC(=O)N[C@@H]1CN(CC#N)C[C@@H]1O 1220931537 WHKPNMXFVALFTP-KGLIPLIRSA-N 316.361 -0.590 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)c2[nH]cnc2C)C1 1221187975 GINGICBKYNJQLO-UTUOFQBUSA-N 321.381 -0.816 30 20 DBED C[C@@H](C#N)C(=O)NCC1CCN(CC(=O)N2CCOCC2)CC1 1222641461 NNDFWVZBRPLHBS-ZDUSSCGKSA-N 322.409 -0.167 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)[C@H](C)OCC#C)CC1 1223175161 YBESMQCKMREDCN-AWEZNQCLSA-N 319.405 -0.398 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)CC(=O)N(C)C)CC1 1224778641 OIEMBVLNVYSVRQ-UHFFFAOYSA-N 322.409 -0.958 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1nnn(C)n1 1228000661 SUIYXNLSCGNZGZ-GHMZBOCLSA-N 321.385 -0.857 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)[C@H]2CC[C@H]2C(N)=O)CC1 1228588512 GNZMNPRBGVSJPW-OLZOCXBDSA-N 322.409 -0.619 30 20 DBED Cc1nc(C)c(C(=O)NC2CCN(CC(=O)NCC#N)CC2)[nH]1 1229207939 DDLSPPACLSTCHS-UHFFFAOYSA-N 318.381 -0.139 30 20 DBED COCC#CCN1CCC(NC(=O)C[C@@H]2CCC(=O)N2)CC1 1229566096 ISKNSRHOMIQLDX-AWEZNQCLSA-N 307.394 -0.115 30 20 DBED CCOCC(=O)NCC[C@H]1CN(CC#N)CCS1(=O)=O 1230413764 WZMOCOSQVKKOMA-NSHDSACASA-N 303.384 -0.848 30 20 DBED CN(C[C@H]1CCN1CC(=O)NCC#N)C(=O)c1ccncc1 1230578011 FNSXZRPCOSRKCM-CYBMUJFWSA-N 301.350 -0.132 30 20 DBED C=CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)C1CN(C(C)=O)C1 1233906654 KPATZOZVSGUZNR-CQSZACIVSA-N 322.409 -0.700 30 20 DBED C#CC[C@@H](NC(=O)CCCCCS(N)(=O)=O)C(=O)OC 1261516832 AXJPEKHPXVRYDI-SNVBAGLBSA-N 304.368 -0.484 30 20 DBED COC[C@@](C)(C#N)NC(=O)C1CCN(S(C)(=O)=O)CC1 1319335586 MTWGVNGEGDFDAX-GFCCVEGCSA-N 303.384 -0.297 30 20 DBED CN(C)CCOCCNC(=O)C(=O)Nc1ccn(CCC#N)n1 1320612073 PQFBHTYZAIXPDJ-UHFFFAOYSA-N 322.369 -0.570 30 20 DBED C#C[C@H](NC(=O)N1CCC(OCC(N)=O)CC1)[C@@H]1CCCO1 1321361189 VCDOWDYSWJFJLP-STQMWFEESA-N 309.366 -0.157 30 20 DBED Cc1nccn1CCNC(=O)C(=O)NC1CCN(CC#N)CC1 1321975492 RRMDBINBNXODDH-UHFFFAOYSA-N 318.381 -0.588 30 20 DBED CN1CC[C@H](NC(=O)C(=O)NCc2ccc(C#N)cc2)C1=O 1322784514 ITOHOBYENZLWRU-LBPRGKRZSA-N 300.318 -0.479 30 20 DBED N#CCN1CCC(NC(=O)C(=O)NCCOC(F)(F)F)CC1 1322823725 NZJWXQIMXYWTBT-UHFFFAOYSA-N 322.287 -0.257 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)N[C@@H]2CCO[C@H](C3CC3)C2)C1 1326111417 KSWNFXTTWYCPSH-WWGRRREGSA-N 321.377 -0.063 30 20 DBED C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@](O)(CC#N)C2)CN1C1CC1 1326423582 LDFRCXKXVXBWGF-BFQNTYOBSA-N 320.393 -0.395 30 20 DBED N#CCCCNC(=O)C(=O)NC1CCN([C@H]2CCC[C@H]2O)CC1 1327121906 LCHBSOXIHGOARA-UONOGXRCSA-N 322.409 -0.100 30 20 DBED C#CCn1ccc(CN(CC)C(=O)C(=O)N[C@@H](C)CNC)n1 1327533093 PSAUPTLDFIMWAD-LBPRGKRZSA-N 305.382 -0.411 30 20 DBED C#CCSCCNC(=O)C(=O)N1CC[C@@H]2NC(=O)CC[C@@H]2C1 1328075268 ZOTMPPRLICCRAF-NEPJUHHUSA-N 323.418 -0.404 30 20 DBED C[C@@H]1CN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CC[C@@H]1N 1329945552 GQPGULFBKHWAPV-XBFCOCLRSA-N 319.409 -0.619 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N1CCC[C@@H](C(=O)NC)C1 1330428877 GGBSPSSUEBDZIF-OLZOCXBDSA-N 323.393 -0.484 30 20 DBED C=CCn1cc(Cn2nnnc2N2CCO[C@@H](COC)C2)nn1 1336153862 CEOPUIRLXIAJTD-GFCCVEGCSA-N 320.357 -0.650 30 20 DBED C=CCC1(O)CCN(C(=O)C(=O)N(C)CCNC(C)=O)CC1 1336439918 YRVVCAQRFZICES-UHFFFAOYSA-N 311.382 -0.490 30 20 DBED C#CCSCCNC(=O)C(=O)N[C@@H]1CCN(C(=O)CC)C1 1342540306 LGEPEJAZKCJWFI-LLVKDONJSA-N 311.407 -0.404 30 20 DBED C=CCn1cc(CNC(=O)C(=O)NCc2ccn(C)c2)nn1 1345699692 NZSZPAYUAYQHJL-UHFFFAOYSA-N 302.338 -0.265 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N=c2cc[nH]c(C)c2)C1=O 1348377767 DSGRGTVVEQZDNC-ZDUSSCGKSA-N 316.361 -0.004 30 20 DBED CC(C)[C@@H]1CN(C(=O)Cn2cc(C#N)c(O)nc2=O)CCO1 1362556642 SAVMTVUJXPPDOY-NSHDSACASA-N 306.322 -0.296 30 20 DBED N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@H]2C[C@H](CO)C2)cc1 1363624031 RGNZWKCPTQFABF-HAQNSBGRSA-N 323.374 -0.276 30 20 DBED N#Cc1cnn2c(O)cc(CN3CCSC[C@@H]3C(N)=O)nc12 1364367141 UQAWMDHMFLNHAD-SNVBAGLBSA-N 318.362 -0.291 30 20 DBED Cc1c(C#N)c(=O)n(CCCS(C)(=O)=O)c(=O)n1C1CC1 1365265978 OFUGGEGDXWQPLM-UHFFFAOYSA-N 311.363 -0.040 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(N(CCO)Cc2nncn2C)CC1 1375684430 FZPBJSGDYYWMEZ-LBPRGKRZSA-N 320.397 -0.240 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](NC(=O)CS(C)(=O)=O)C(C)(C)C 1384337553 UASOZJZKKDUMNO-UWVGGRQHSA-N 317.411 -0.162 30 20 DBED C[C@H](CNC(=O)c1c[nH]c(C#N)c1)NC(=O)CCn1ccnn1 1392302017 JKZMZPQYTMZIOY-SNVBAGLBSA-N 315.337 -0.197 30 20 DBED N#Cc1cccc(CNC[C@H](O)CNC(=O)[C@@H]2CCC(=O)N2)c1 1392425307 WEAYQJXYZFTYRT-KBPBESRZSA-N 316.361 -0.596 30 20 DBED C[C@@H](CNC(=O)[C@@H](C)C#N)NC(=O)CCS(=O)(=O)N(C)C 1392860550 SVPPCJLFBVNBOD-UWVGGRQHSA-N 318.399 -0.952 30 20 DBED C[C@@H](CNC(=O)c1ccn(CCN(C)C)n1)NC(=O)[C@H](C)C#N 1410455898 YIYINYITSMCOEC-NEPJUHHUSA-N 320.397 -0.161 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)C[C@H]2CCC(=O)NC2)CC1 1410804310 KSNWYTUJCGPRTH-WDEREUQCSA-N 306.366 -0.173 30 20 DBED CCNC(=O)NC(=O)CN(C)C1CCN(C(=O)[C@H](C)C#N)CC1 1425424290 QDVXOCFVNLXDQX-LLVKDONJSA-N 323.397 -0.085 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H]1CNC(=O)CCS(C)(=O)=O 1430936814 VZHFNBMZLLDVAA-GHMZBOCLSA-N 315.395 -0.312 30 20 DBED COc1cc(CCC(=O)NC[C@H](O)CNC(=O)[C@H](C)C#N)on1 1431535824 FFKAVOUSRVFCLH-ZJUUUORDSA-N 324.337 -0.631 30 20 DBED COC[C@@H](OC)C(=O)NC[C@H](C)NC(=O)c1cc(C#N)c[nH]1 1431796939 ZWSQPKLNZOPINP-JOYOIKCWSA-N 308.338 -0.218 30 20 DBED C[C@H](C#N)C(=O)NCCN(C)CCCS(=O)(=O)N(C)C 1442374580 GRYRDPULNRSVSH-LLVKDONJSA-N 304.416 -0.524 30 20 DBED N#Cc1ccc(NC(=O)Cn2nnc(C(N)=O)n2)cc1Cl 1473064485 AJWUGOKJSHUCGZ-UHFFFAOYSA-N 305.685 -0.064 30 20 DBED Cc1c(C(=O)NC[C@H]2C[C@@H](NC(=O)[C@H](C)C#N)C2)nnn1C 1489808471 IWCSGBGFGXYFPL-IEBDPFPHSA-N 304.354 -0.092 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)Cn2c(O)nnc2O)C1 1490574192 ZWBJGZYJOLLWAE-JTQLQIEISA-N 311.342 -0.918 30 20 DBED COCC(=O)NCCC(=O)N1CCCN(C(=O)[C@H](C)C#N)CC1 1492048942 QVHOTWOTUNBNSP-GFCCVEGCSA-N 324.381 -0.640 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)COCc1cccnc1 1501591500 KJOMXXYHFBEKKS-AAEUAGOBSA-N 320.349 -0.649 30 20 DBED N#CC1(CC(=O)N[C@@H](Cn2cncn2)C(=O)O)CCOCC1 1571095993 IEGJGXHCHUHREI-JTQLQIEISA-N 307.310 -0.442 30 20 DBED C=C(Cl)C[C@@H](NC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)C(=O)O 1573308309 UBBTYCYNHWGCSB-ZYUZMQFOSA-N 305.714 -0.889 30 20 DBED N#Cc1nc(NC(=O)CN2CCC[C@H](C(=O)O)C2)[nH]c1C#N 1574249287 UZYLMLCOCXZDHU-QMMMGPOBSA-N 302.294 -0.112 30 20 DBED C#CCCN(CCOC)C(=O)N[C@H]1CC(=O)N(C2CNC2)C1 1574583665 KRUXSJIUJTUDAB-LBPRGKRZSA-N 308.382 -0.760 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](C)CNc1ccc(-c2nn[nH]n2)nn1 1574834574 BZDGWPPKOKANQV-BDAKNGLRSA-N 315.341 -0.019 30 20 DBED CN(C(=O)[C@H](C#N)Cc1ccc(-c2nn[nH]n2)cc1)c1nn[nH]n1 1578840058 UYGNAAIFRQKNSP-JTQLQIEISA-N 324.308 -0.275 30 20 DBED C=CCN([C@@H]1CCS(=O)(=O)C1)[C@@H]1CCN(CC(=O)O)C1=O 1588463206 CUDULYUYKQITLF-GHMZBOCLSA-N 316.379 -0.653 30 20 DBED C=C(C)COCCNC(=O)C(=O)N1C[C@H](C)O[C@H](C(=O)O)C1 1588569512 CWOQBUNVEWAUDC-QWRGUYRKSA-N 314.338 -0.604 30 20 DBED C[C@@]1(C#N)CN(C(=O)C(=O)N2CCC(C(=O)O)CC2)CCO1 1589181423 IBMIANXAZSPBTP-CQSZACIVSA-N 309.322 -0.549 30 20 DBED COC[C@](C)(CC(=O)O)NS(=O)(=O)N(C)[C@@H](C)CC#N 1599150436 LSMIJHWPZHWHSI-ONGXEEELSA-N 307.372 -0.065 30 20 DBED C=CC[C@H](CO)NC(=O)CNc1ccc(-c2nn[nH]n2)cn1 1602817103 ZADAOJAZXZNHAJ-SNVBAGLBSA-N 303.326 -0.273 30 20 DBED N#CCCN1CCN(C(=O)C(=O)N2CCC(C(=O)O)CC2)CC1 1608184276 NARXOHYGXQSIHX-UHFFFAOYSA-N 322.365 -0.633 30 20 DBED N#Cc1ccc([C@@H](O)C(=O)N2CCN(CC(=O)O)CC2)cc1 1608202124 LZSIFDPMMLDCAO-CQSZACIVSA-N 303.318 -0.180 30 20 DBED N#CCC1(CNC(=O)C(=O)N2CCC([C@@H](O)C(=O)O)CC2)CC1 1610620156 BTEXMJASDGRHGY-LLVKDONJSA-N 323.349 -0.519 30 20 DBED C#CCCNC[C@@H]1CCCCN1C(=O)Cn1ncn(C)c1=O 1700344763 JVGZWPHRJPAKGR-ZDUSSCGKSA-N 305.382 -0.424 30 20 DBED COCC#CCN1CCN(CCNC(=O)[C@@H]2CCOC2)CC1 1752362618 IHRQACAAMQEPCD-OAHLLOKOSA-N 309.410 -0.594 30 20 DBED C#CCNC(=O)[C@H](C)N(C)CCNC(=O)c1cc2n(n1)CCO2 1753052485 ZXRQTPHIYFTZGP-NSHDSACASA-N 319.365 -0.925 30 20 DBED C#CCNC(=O)CN1CC[C@@H](CNC(=O)C[C@@H]2CCN(C)C2)C1 1753138021 PMNQKHZSEZXGMD-GJZGRUSLSA-N 320.437 -0.484 30 20 DBED C#CCNC(=O)[C@H](C)N(C)C[C@H]1CCN(C(=O)COCC)C1 1753346863 NWCDYIXHAPYBPG-UONOGXRCSA-N 309.410 -0.059 30 20 DBED C#CCNC(=O)CN(C)CCN(C)C(=O)[C@@H](C)NC(=O)CC 1753853788 LFNTVPKVQCKWAK-GFCCVEGCSA-N 310.398 -0.959 30 20 DBED CC#CCNC[C@@H]1CCCN1C(=O)CN1CCCS1(=O)=O 1754611335 ZCMLSSJXMGOIMM-ZDUSSCGKSA-N 313.423 -0.374 30 20 DBED C=CCOCC(=O)N1CCO[C@H](CNCc2cnn(C)c2)C1 1754996384 MVCHNLHFNOWRHA-CQSZACIVSA-N 308.382 -0.060 30 20 DBED COCCn1ncc(C(=O)N2CCO[C@H](CNCC#N)C2)c1C 1755001776 FJLGMNCUVKZSGS-CYBMUJFWSA-N 321.381 -0.208 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)c2ccnc3[nH]nnc23)CCO1 1755004676 FIAXIECQUHZRJX-LLVKDONJSA-N 314.349 -0.193 30 20 DBED C=CCOCCN1CC(CCO)(NC(=O)c2cc[n+]([O-])cc2)C1 1755329504 CULPGPYSMUCLJB-UHFFFAOYSA-N 321.377 -0.311 30 20 DBED CN(C)c1ccc(C(=O)NC2(CCO)CN(CC#N)C2)cn1 1755333563 DDMXXVXOSLFPPG-UHFFFAOYSA-N 303.366 -0.162 30 20 DBED Cc1cc(C(=O)N[C@@H]2CN(CC(=O)NCC#N)CC2(C)C)n[nH]1 1755405836 NDZUMTAGBWIANZ-GFCCVEGCSA-N 318.381 -0.202 30 20 DBED C#CCCNC[C@@H](C1CC1)N(C)C(=O)CN1C(=O)CN(C)C1=O 1755570980 AMHMSWBIEBNRLY-ZDUSSCGKSA-N 320.393 -0.270 30 20 DBED C=CCCCN[C@@H](CO)CNC(=O)[C@]1(C)CCCS1(=O)=O 1755642129 PPPCLZPLHWDTMD-OCCSQVGLSA-N 318.439 -0.013 30 20 DBED CC(=O)NCC(=O)N[C@@H](C)[C@@H](C)NC(=O)CSCC#N 1755947750 PRDCGNIOURJGOW-DTWKUNHWSA-N 300.384 -0.611 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1C[C@H](NC(=O)[C@]2(C)CCNC2=O)C1 1756263262 IJBRCSOJXNAUOL-UYUMYWFVSA-N 306.366 -0.317 30 20 DBED C=CC(C)(C)CC(=O)N[C@@H](CO)CNC(=O)CNC(=O)OC 1756506135 OOIYVINXUCVCCA-SNVBAGLBSA-N 315.370 -0.462 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@H](CO)NC(=O)c1c[nH]nc1CC 1756515654 NLDDRBVOLWGSRT-MEBBXXQBSA-N 324.381 -0.494 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H](CO)NC(=O)c1ccn(C)c1 1756521875 XZBGFFRIHPXNLY-WCQYABFASA-N 307.350 -0.730 30 20 DBED C=CCCC(=O)NC[C@H](O)CN(C)C(=O)[C@H]1CCC(=O)N1C 1756674390 LSGAHXBCMUJSLC-NWDGAFQWSA-N 311.382 -0.491 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H]2CN(C(=O)CCCF)[C@@H]2C1 1757243366 OUQHBVIBGNRRQS-CHWSQXEVSA-N 323.368 -0.065 30 20 DBED C[C@H](S)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](N)CN 1796782948 IWWINOPWAUPEJM-HHKYUTTNSA-N 300.428 -0.771 30 20 DBED C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](C)NC(=O)NCC 1798388127 RSNMGCAAWILJKJ-FVCCEPFGSA-N 320.393 -0.035 30 20 DBED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C(F)F)C2)C1 1834760107 GMFCWUCXKVNCOW-ZDUSSCGKSA-N 317.292 -0.378 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C#CC(=O)O 1847809267 ALPIGOAMNBONTN-AVGNSLFASA-N 320.345 -0.133 30 20 DBED C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)NCC)c1 16557725 MLVPMVRMCADRHP-UHFFFAOYSA-N 324.358 -0.109 30 20 DBED C[C@@H]1CN/C(=N\CCS(=O)(=O)NC[C@@H]2CCCCO2)N1 262472056 BHJNJDJBIPCVLM-MNOVXSKESA-N 304.416 -0.588 30 20 DBED N/C(=N\C[C@@H](N1CCOCC1)C(F)(F)F)N1CCOCC1 262636259 GWFSQRVNVHXALW-SNVBAGLBSA-N 310.320 -0.104 30 20 DBED CO/N=C(/C(=O)Nc1ncn(CC(=O)N(C)C)n1)c1ccco1 266937805 UQDFKTIIEWAOJX-GZTJUZNOSA-N 320.309 -0.052 30 20 DBED COC(=O)C1=C(C)O[C@@H](Cn2c(=O)c(C#N)cn(C)c2=O)C1 271730248 MZERZTUPGWEZPZ-SNVBAGLBSA-N 305.290 -0.345 30 20 DBED C[C@@](CO)(CNS(=O)(=O)c1ccc(C#N)o1)CC(=O)O 287607574 RNMPYGXRCXMYBG-NSHDSACASA-N 302.308 -0.097 30 20 DBED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN(CC)C(=O)C1 292277273 HQBHBKPVXJIVHM-TZMCWYRMSA-N 323.393 -0.226 30 20 DBED CC(C)[C@@H](C#N)N1CCN(C(=O)CN(C)[C@@H]2COC[C@H]2O)CC1 329183140 OTLSOUZPSXSASD-RBSFLKMASA-N 324.425 -0.630 30 20 DBED O=C(C/N=C(/O)N1CCOCC(F)(F)C1)N1CCOCC1 329540476 CYTJHDLSVJQQKK-UHFFFAOYSA-N 307.297 -0.273 30 20 DBED CCS(=O)(=O)NCC/N=C(/O)N[C@H]1CCC(=O)N(C)C1 330704578 KAQVMIWXOFWUJN-VIFPVBQESA-N 306.388 -0.950 30 20 DBED CCCc1nc(=N/C(O)=N/CCNS(C)(=O)=O)s[nH]1 330854293 OWFABGCSOJZHQU-UHFFFAOYSA-N 307.401 -0.212 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H](C(=O)OC)[C@H](C)O 336930667 BCSJTKXBSKMJHB-UTLUCORTSA-N 307.372 -0.775 30 20 DBED CO[C@@H]1C[C@@H](NS(=O)(=O)N2CCO[C@H](C#N)C2)C1(C)C 336931042 BKXAFBSWKGTIPG-GMTAPVOTSA-N 303.384 -0.141 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCN(C[C@H](C)O)CC1 337155700 OBVSDEYDVWBFFE-OLZOCXBDSA-N 318.443 -0.289 30 20 DBED C=CC[C@@H](CO)CNC(=O)NC[C@@H]1CCCN1S(C)(=O)=O 341846649 USQJVDJTUKTPPB-NEPJUHHUSA-N 319.427 -0.106 30 20 DBED CN(C)CCN1C[C@H](C(=O)NC2(C#N)CCOCC2)CC1=O 346881184 VAEPNLLKIYNSFM-GFCCVEGCSA-N 308.382 -0.415 30 20 DBED N#CCNC(=O)CNC(=O)C(=O)Nc1c(F)cc(F)cc1F 357294335 SVTBXJRACDALFZ-UHFFFAOYSA-N 314.223 -0.202 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)NC[C@@H]1CN2CCC[C@H]2CO1 374418503 XPIIHXXOOQOLCH-FRRDWIJNSA-N 316.427 -0.225 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N(C)C[C@H](C)C(=O)O)nn1 424491172 XAPINKKLSXFJIJ-VIFPVBQESA-N 309.326 -0.741 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N[C@H](CN)C2CCCC2)nn1 424548302 PRMZMCRGOBDISS-CYBMUJFWSA-N 320.397 -0.286 30 20 DBED C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1cn(CC(=O)OC)nn1 425481586 TYXGFSBPFAQGOS-JQWIXIFHSA-N 323.353 -0.159 30 20 DBED COCCNC(=O)CNC(=O)C(=O)Nc1ccc(C#N)cc1 479025197 WZEBZPYSNRPQIX-UHFFFAOYSA-N 304.306 -0.624 30 20 DBED C#CCNC(=O)NCC(=O)Nc1cccc(S(=O)(=O)NC)c1 490615000 CUKSXKFLWQXLKX-UHFFFAOYSA-N 324.362 -0.534 30 20 DBED C#CCN(C)CCCNC(=O)C1CCC2(CC1)NC(=O)NC2=O 491747773 NPGAMMBOXQFENT-UHFFFAOYSA-N 320.393 -0.174 30 20 DBED CS(=O)(=O)N1CC[C@@H](NS(=O)(=O)CC2(C#N)CC2)C1 518544758 HMUASFWTGGWCGS-SECBINFHSA-N 307.397 -0.757 30 20 DBED N#CCC1(O)CN(C(=O)CN2C(=O)COc3ccccc32)C1 548003232 JEQLTACSLWGGDK-UHFFFAOYSA-N 301.302 -0.101 30 20 DBED Cc1nc(S(=O)(=O)NCCC(=O)N2CC(C#N)C2)cn1C 590486583 LEAQQTUJOHDBSU-UHFFFAOYSA-N 311.367 -0.621 30 20 DBED CN(C[C@@H](O)C1CC1)C(=O)C(=O)N1CCN(CCC#N)CC1 601472567 WXFDCFVKBUGYNK-CYBMUJFWSA-N 308.382 -0.726 30 20 DBED C=C[C@@H]1OCC[C@H]1NC(=O)NCCCN(C)S(C)(=O)=O 652170258 VZISFDFBMITXJH-MNOVXSKESA-N 305.400 -0.089 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(C)Cc2nc(C)no2)C1=O 655357224 VOUZVTOXFCNPQK-UHFFFAOYSA-N 321.293 -0.687 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)C1CCC2(CC1)NC(=O)NC2=O 732347338 VUVWKBWQPZHZFF-YLTRJXTNSA-N 321.333 -0.564 30 20 DBED N#CCN(CC(=O)O)C(=O)CN1C(=O)NC2(CCCCC2)C1=O 739078032 XCBLDXPACDLPRG-UHFFFAOYSA-N 322.321 -0.322 30 20 DBED N#CCN(CC(=O)O)C(=O)c1ccc(N2CCOCC2)nc1 739088021 QMLOOTCEMPDPSJ-UHFFFAOYSA-N 304.306 -0.031 30 20 DBED C#CCOCCNC(=O)N1CCCC[C@H]1CNS(C)(=O)=O 753376726 GVIRAHDOZXTAEM-LBPRGKRZSA-N 317.411 -0.251 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCC(C)CC1 768203652 VQDMQYVQFGPRAH-UHFFFAOYSA-N 302.396 -0.038 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)[C@H]1COCCN1CC(F)F 786946104 KOOHAJFEQLFBDQ-VHSXEESVSA-N 304.293 -0.367 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(C)c2nccn2C)C1=O 791249319 UZWNPHOQXUDWGL-UHFFFAOYSA-N 305.294 -0.640 30 20 DBED N#CCNC(=O)CNC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 804820252 DFJAFHYREVJUAV-JTQLQIEISA-N 318.308 -0.065 30 20 DBED CC#CCS(=O)(=O)NC(=O)CC1(CS(C)(=O)=O)CC1 810778418 XFFHLJBNGLRVBY-UHFFFAOYSA-N 307.393 -0.329 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)N2CCCN(C=O)CC2)cc1 819436990 TWNIUNDLOLFOHP-UHFFFAOYSA-N 314.345 -0.021 30 20 DBED CC[C@H](NC(=O)[C@](C)(C#N)CC(=O)O)C(=O)N1CCOCC1 820278179 IHUNSSOMRHJHFS-HZMBPMFUSA-N 311.338 -0.255 30 20 DBED C=CCNC(=O)CNC(=O)[C@@H]1CNC(=O)C[C@@H]1C(F)(F)F 821753205 IJJGXRDCPQWMJD-SFYZADRCSA-N 307.272 -0.281 30 20 DBED C=CCn1cc(C(=O)OCC(=O)N(C)CC(=O)OCC)nn1 830120582 UBAANFVKFXDMSE-UHFFFAOYSA-N 310.310 -0.358 30 20 DBED N#C[C@@H]1CNC[C@H]1NC(=O)CNS(=O)(=O)c1cccs1 834499273 GQNHZHNKPDNKLE-RKDXNWHRSA-N 314.392 -0.746 30 20 DBED CN(C)S(=O)(=O)c1ccc(C(=O)N[C@@H]2CNC[C@H]2C#N)cn1 834501062 ZEHDXANAVCUKSJ-GHMZBOCLSA-N 323.378 -0.827 30 20 DBED N#C[C@H]1CNC[C@@H]1NC(=O)C(=O)NCCCc1ccccc1 843463024 UIJXETPBLAINCF-KBPBESRZSA-N 300.362 -0.037 30 20 DBED C#CC1(O)CN(C(=O)C(=O)Nc2cc(OC)ccc2OC)C1 890524269 IDNHJHVDFONMNG-UHFFFAOYSA-N 304.302 -0.151 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2nc[nH]n2)[C@H](C)C1 939053176 MJFIGOYOSHTKQE-KKOKHZNYSA-N 319.365 -0.028 30 20 DBED Cc1c(C(=O)N(C)[C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)nnn1C 939396550 JXVGXCBLNURUFC-GXSJLCMTSA-N 304.354 -0.044 30 20 DBED Cn1cnc(C(=O)N2CC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)n1 939930641 VHIAEZRLJVMKKM-SNVBAGLBSA-N 313.321 -0.341 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](NC(=O)c2ccoc2CC(N)=O)C1 942291729 PXMBZXRJYQVHBD-NXEZZACHSA-N 318.333 -0.202 30 20 DBED N#Cc1cc(C(=O)N2CC[C@@H](NC(=O)Cn3cncn3)C2)c[nH]1 942460457 KLBVKNIHDPFPSD-LLVKDONJSA-N 313.321 -0.491 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2cnc(O)n(C)c2=O)[C@@H](C)C1 942552238 CUTRBYZMPTVULH-WCQYABFASA-N 318.377 -0.051 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2CCN(CC(N)=O)C[C@@H]2C)c1 942618044 STOOUTBCMAAMOI-SMDDNHRTSA-N 300.362 -0.012 30 20 DBED C[C@H]1CN(CC#N)CC[C@H]1NC(=O)CN1CC(=O)N(C)C1=O 944134338 CTJRYVMEJYEJGT-WDEREUQCSA-N 307.354 -0.769 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2cn(C)c(=O)nc2O)[C@H](C)C1 944904974 AKQQGNWYQQOJQU-DGCLKSJQSA-N 318.377 -0.051 30 20 DBED C[C@@H]1CCCN(C(=O)C(N)=O)[C@H]1CNC(=O)c1c[nH]c(C#N)c1 945804261 YGCNNKZMSGIGCM-SKDRFNHKSA-N 317.349 -0.271 30 20 DBED N#CCN1CCC2(CC1)CN(C(=O)[C@@H]1CCCNC1=O)CCO2 949118074 DZMUHIADSGGQIX-CYBMUJFWSA-N 320.393 -0.270 30 20 DBED C=CCCN1C[C@@H](O)[C@@H](CNC(=O)c2cn(C)c(=O)cn2)C1 958272926 NZJXHDQLZDGMNA-WCQYABFASA-N 306.366 -0.621 30 20 DBED N#Cc1c[nH]c(C(=O)NC2[C@@H]3CN(CCn4cncn4)C[C@@H]23)c1 958505644 ZSTZICMYASNVDC-VXGBXAGGSA-N 311.349 -0.162 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cnns1 960079658 LTOMXTLDTAFJNW-KXUCPTDWSA-N 321.362 -0.250 30 20 DBED C=C(C)CN1C[C@H]2[C@H](NC(=O)c3cnc(O)n(C)c3=O)[C@H]2C1 961462241 TXDZDEBBUHGLBL-GDNZZTSVSA-N 304.350 -0.278 30 20 DBED CC(C)(C(N)=O)C(=O)N1C[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2C1 961542849 PTZOJCMOZZEAPU-BETUJISGSA-N 317.389 -0.172 30 20 DBED C#CCN1CCC(C(=O)NC2[C@@H]3CN(C[C@@H](C)O)C[C@@H]23)CC1 962779004 RHRTVKLDDBMZQX-BPLDGKMQSA-N 305.422 -0.241 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)c1cc[n+]([O-])cc1 964069322 GVBSROOAAVDUBF-WCQYABFASA-N 318.333 -0.563 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)C(N)=O)CC1 964981330 DMCUOTFWPKIOCM-OLZOCXBDSA-N 320.393 -0.933 30 20 DBED N#Cc1c[nH]c(C(=O)N2CCC3(CC2)C[C@@H]3NC(=O)C(N)=O)c1 965035364 FMDLPCWHGTZXEC-NSHDSACASA-N 315.333 -0.517 30 20 DBED C[C@@H]1CCN(CC#N)C[C@@H]1NC(=O)c1cn(C)c(=O)nc1O 968638809 CDIUPQXAXBZHOT-KOLCDFICSA-N 305.338 -0.550 30 20 DBED CCc1cc(C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2O)no1 969340507 CQUIPNIBBAAAEX-KGLIPLIRSA-N 317.345 -0.048 30 20 DBED C[C@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)[C@]1(C)CCNC1=O)C2 969812292 XKXPNSYCPZRVBI-KZTGVZKYSA-N 318.377 -0.126 30 20 DBED CCn1cc(CC(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)cn1 970799706 DGMTYKJFMRYBFI-RTXFEEFZSA-N 319.365 -0.707 30 20 DBED Cn1nnc(CN2C[C@H]3CC[C@H]2CN3C(=O)C#CC2CC2)n1 971367158 BHYIJEOOWYJWTQ-QWHCGFSZSA-N 300.366 -0.201 30 20 DBED CN(CC#N)[C@H]1CCN(C(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 971526019 SRUUHBHTFPHTIG-RYUDHWBXSA-N 316.365 -0.181 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)Cn3nccn3)[C@@H]2C1 972353572 RPRIBTCYCGZLSX-QJPTWQEYSA-N 302.338 -0.503 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3CCC(=O)N3)C2)[nH]1 973099026 ZPWZEOQFYAGKFA-CKYFFXLPSA-N 315.333 -0.458 30 20 DBED Cc1nc[nH]c1CC(=O)N[C@H]1[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]21 976928569 WUCQLNWGMRLNQQ-GJTWSCIVSA-N 301.350 -0.007 30 20 DBED CN1CC[C@@H](C(=O)N[C@H]2[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]32)C1=O 977000687 JCMIVPPUNMZUCL-RMRHIDDWSA-N 315.373 -0.549 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@H](NC(=O)c2cnnn2C)[C@H](O)C1 991445611 YROOWPGRYYSLPS-CMPLNLGQSA-N 321.381 -0.281 30 20 DBED CN1CCC[C@H]1C(=O)NCc1cn([C@@H]2CCN(CC#N)C2)nn1 999963889 VCSGGDPLZPIPNH-KGLIPLIRSA-N 317.397 -0.241 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2C[C@@H](C)N(C(=O)CC(N)=O)C2)cn1 1012407894 JZEJXVRLSNAUFB-MFKMUULPSA-N 314.345 -0.343 30 20 DBED O=C(Cn1ncnn1)N[C@@H]1CCN(CC#Cc2ccccc2)C1 1014430638 SCFCROCPLKBUKH-OAHLLOKOSA-N 310.361 -0.085 30 20 DBED Cn1c(C(=O)N[C@H]2CCN(CC#N)C2)c2n(c1=O)CCCC2 1015713688 QXOCIGJHIPQTCV-NSHDSACASA-N 303.366 -0.149 30 20 DBED C=CCN1CCC2(CC1)C[C@@H]2NC(=O)CN1C(=O)CNC1=O 1016964226 GSKVSIHKOUQHLW-NSHDSACASA-N 306.366 -0.305 30 20 DBED C[C@@H](C#N)C(=O)N1CCCO[C@@H](CNC(=O)c2cccnn2)C1 1019657834 YLGDXBXSMOPKCY-RYUDHWBXSA-N 317.349 -0.016 30 20 DBED C#CCN1CCCC[C@H]1CNC(=O)[C@@H]1Cc2cncn2C(=O)N1 1024568144 QCHDONAEZBMNPZ-JSGCOSHPSA-N 315.377 -0.031 30 20 DBED C#CCNC1CCC(NC(=O)c2cnc(O)n(C)c2=O)CC1 1026539123 GBQXNKPROMYURL-UHFFFAOYSA-N 304.350 -0.250 30 20 DBED C=C(Br)CN1CC(NC(=O)Cn2cnnn2)C1 1030090014 HVSYDTCBUMCITO-UHFFFAOYSA-N 301.148 -0.618 30 20 DBED C=CCN1CC[C@@H](N2CC(CNC(=O)c3cnns3)C2)C1=O 1031564799 WRANCCMUBOUDQH-LLVKDONJSA-N 321.406 -0.013 30 20 DBED C=CCn1cc(C(=O)NCC2CN(Cc3cn(C)nn3)C2)nn1 1032035565 FQPAAIIKIABNQV-UHFFFAOYSA-N 316.369 -0.546 30 20 DBED C=CCCN1CC(CNC(=O)c2cc(=O)n3[nH]cnc3n2)C1 1032128087 QJASKFMMWNSKGE-UHFFFAOYSA-N 302.338 -0.345 30 20 DBED C#CCCN1CC(CNC(=O)c2cn(CC(=O)N(C)C)nn2)C1 1032206928 RJDXQSNGXSGWKQ-UHFFFAOYSA-N 318.381 -0.949 30 20 DBED C#CCCN1CC[C@@H](N(C)C(=O)CN2CC(=O)N(C)C2=O)C1 1033576378 IHSNDXQIGLUFIY-GFCCVEGCSA-N 306.366 -0.564 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)c2ccn(CCN(C)C)n2)C1 1035370628 OCUHMFUOWQMKPM-AWEZNQCLSA-N 319.409 -0.492 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)[C@@H]2CC(=O)N(C(C)C)C2)C1 1035389725 GALFNYPOVOYXPS-KGLIPLIRSA-N 307.394 -0.307 30 20 DBED C#CCN1CCO[C@H](CNC(=O)c2noc3c2COCC3)C1 1035609445 IBKFVSXEDRZLRQ-LLVKDONJSA-N 305.334 -0.189 30 20 DBED C#CCCN1CCO[C@H](CNC(=O)c2cccc(C(N)=O)n2)C1 1035624925 MUQHKFVQUKMAGK-GFCCVEGCSA-N 316.361 -0.366 30 20 DBED Cn1nnnc1CN1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1cc(C#N)c[nH]1 1037351894 YDEBGKYXSBWXTO-SUZMYJTESA-N 312.337 -0.587 30 20 DBED C=C1CCC(C(=O)N2CC[C@@](O)(CNC(=O)C(N)=O)C2)CC1 1040742629 HLSYYMLZAFLEHC-OAHLLOKOSA-N 309.366 -0.702 30 20 DBED C=CCn1cccc1C(=O)N1CC(O)(CNC(=O)COC)C1 1041160362 MBVSQOQLDPPDMC-UHFFFAOYSA-N 307.350 -0.376 30 20 DBED C[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1NC(=O)[C@@H]1COCCO1 1041787128 ODBWCQKLKGZSBL-UTUOFQBUSA-N 317.349 -0.295 30 20 DBED C[C@H](OCC1CC1)C(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042957947 BSNYVNSWAAJDLV-LBPRGKRZSA-N 320.389 -0.096 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)c2[nH]ccc2C)C1 1043032814 IUQIINBBGFDQPY-UHFFFAOYSA-N 319.361 -0.334 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)Cc2ccc[nH]2)C1 1043041837 LBSYJIIDNJZUBS-LBPRGKRZSA-N 319.361 -0.715 30 20 DBED CCC(=O)N[C@@H](C)C(=O)NCC1(O)CN(C(=O)C#CC(C)C)C1 1043403991 KGNQGHZOHCGMQZ-LBPRGKRZSA-N 323.393 -0.750 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)[C@H](COC)OC)C1 1044469839 GIKWNPGUPDSDES-NSHDSACASA-N 314.382 -0.451 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)c2ccc(OC)o2)C1 1045247672 MQMHGGCTYCYNQX-UHFFFAOYSA-N 324.333 -0.206 30 20 DBED C#Cc1cncc(C(=O)N2CC(O)(CNC(=O)[C@@H](C)C#N)C2)c1 1045551688 KVNFFYXZJMSSHP-NSHDSACASA-N 312.329 -0.474 30 20 DBED C#CCCN1CC[C@H](N2CCN(C(=O)c3cn(C)nn3)CC2)C1 1046029416 SPURNZNURZWNNQ-AWEZNQCLSA-N 316.409 -0.330 30 20 DBED C#CCN1CC[C@H](N2CCN(C(=O)c3[nH]nnc3C)CC2)C1 1046050271 IYIAYILRDBASNT-ZDUSSCGKSA-N 302.382 -0.422 30 20 DBED N#CCN1CC[C@@H](N2CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)C1 1046078887 RDHFDNYDEQLSJE-OLZOCXBDSA-N 305.382 -0.993 30 20 DBED C=C(C)CCC(=O)N1CC(O)(CNC(=O)[C@H](COC)OC)C1 1046243001 GEYCIROALJDXBB-LBPRGKRZSA-N 314.382 -0.306 30 20 DBED C=CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCN2C(N)=O)C1 1047645033 BHYHIYOUSNWZIG-AVGNSLFASA-N 310.398 -0.391 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cnnn2C)C1 1048766068 RNAQGTCRVKSGKT-STQMWFEESA-N 319.365 -0.882 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CCOC2)C[C@@H]1O 1048852195 HKDZAGFHKWRKIS-CRWXNKLISA-N 324.377 -0.909 30 20 DBED C=C(C)CCC(=O)N(C)[C@H]1CN(C(=O)c2nnn(C)n2)C[C@@H]1O 1048937849 VTZJSBPSGJGWCT-QWRGUYRKSA-N 322.369 -0.790 30 20 DBED C#CCCN1C[C@H]2CN(C(=O)CC[C@@H]3NC(=O)NC3=O)C[C@H]2C1 1049206453 BNUROGUMINUBGD-XQQFMLRXSA-N 318.377 -0.612 30 20 DBED CCN(C)CCC(=O)N(C)[C@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1O 1049542217 ILZUVHBBFUWINQ-AGIUHOORSA-N 310.398 -0.482 30 20 DBED C=CCOCC(=O)N1CC[C@H]([C@@H](C)NC(=O)C2(C(N)=O)CC2)C1 1050297214 LWCNYELYMUFGID-NEPJUHHUSA-N 323.393 -0.192 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H]1COCCN1CCCO 1050962338 IXUQSQGMESINLA-GJZGRUSLSA-N 309.410 -0.717 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)c1nc(OC)cc(OC)n1 1050980182 MXSVPCIFGDLKNS-LLVKDONJSA-N 320.349 -0.442 30 20 DBED C=CCN1CCOC[C@H]1CNC(=O)c1cncc(C(N)=O)c1 1051248944 BUPQYDMBJJGNLC-CYBMUJFWSA-N 304.350 -0.203 30 20 DBED C#CCCN1CCN([C@@H]2CCN(C(=O)c3cnon3)C2)CC1 1052099963 VRNSHTSJUXOVMH-CYBMUJFWSA-N 303.366 -0.075 30 20 DBED CC(C)N1C[C@@H](C(=O)N2CCOC3(CN(CC#N)C3)C2)CC1=O 1053276742 SCYAVTWHFOEBNK-ZDUSSCGKSA-N 320.393 -0.320 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)[C@@H]1CCC(=O)N1C)CCO2 1053380895 ORAMTVDEQDLAKP-ZDUSSCGKSA-N 305.378 -0.456 30 20 DBED N#CCN1CC2(C1)CN(C(=O)CCc1ncccn1)CCO2 1053476773 HPVJQCZIZCKDHJ-UHFFFAOYSA-N 301.350 -0.154 30 20 DBED C=C(C)CN1CC2(C[C@H](NC(=O)CN3CCOCC3=O)CO2)C1 1053831266 YJOOMYIQLFERAW-ZDUSSCGKSA-N 323.393 -0.619 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)c3cnn4cccnc34)CO2)C1 1053889966 WMERHRLCLSEMHC-LBPRGKRZSA-N 311.345 -0.064 30 20 DBED C=CCCC(=O)N1CCC[C@](CO)(NC(=O)c2cn(C)nn2)C1 1055924534 NQDZQVVNVJRIAG-HNNXBMFYSA-N 321.381 -0.135 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)CNC(N)=O 1056221032 PCTIBLSRGQXMBW-OUAUKWLOSA-N 307.354 -0.594 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)C1=COCCO1 1056877463 VOKCLMOPVJWLFP-UHFFFAOYSA-N 310.350 -0.385 30 20 DBED C#CCOCCC(=O)NCCN(CCO)C(=O)c1cc[nH]n1 1057046284 OTIZNFBDUIHVFY-UHFFFAOYSA-N 308.338 -1.000 30 20 DBED CCC(=O)NCC(=O)N(CCO)CCNC(=O)C#CC(C)C 1057212719 UICAAWDUQJJBLS-UHFFFAOYSA-N 311.382 -0.891 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)CC[C@H]1CCOC1 1057313532 XJNSNQNBNRALRU-STQMWFEESA-N 311.382 -0.100 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)c1cn(C)c(O)n1 1057524796 QUSCOYZLRYNQPW-UHFFFAOYSA-N 322.365 -0.664 30 20 DBED Cc1nn(C)c(C)c1C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N 1058197778 LIIDOAYAFHZOLN-JTQLQIEISA-N 321.381 -0.253 30 20 DBED N#Cc1ccc(N2C[C@@H]3CC[C@H](C2)N3C(=O)c2nc[nH]n2)nn1 1058769442 RCRKOSRBOWVSSJ-PHIMTYICSA-N 310.321 -0.040 30 20 DBED N#Cc1cncc(N2C[C@@H]3CC[C@H](C2)N3C(=O)Cn2nccn2)n1 1058779436 RRGUVNVOXGXPMG-BETUJISGSA-N 324.348 -0.180 30 20 DBED CN1CCO[C@@H](C(=O)N2CC[C@H](Nc3nccnc3C#N)C2)C1 1058857381 POPIKOMYKZSJCW-WCQYABFASA-N 316.365 -0.308 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](CCNC(=O)C2CC2)C1 1059501811 DGDSXOSMSAQEMP-GFCCVEGCSA-N 305.378 -0.109 30 20 DBED N#Cc1nccnc1NC[C@H]1CCN(C(=O)Cn2cnnn2)C1 1060803435 OAVODTGNQZKQCD-SNVBAGLBSA-N 313.325 -0.705 30 20 DBED C=CCOCC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1[C@H]2COC[C@H]21 1061419434 KPNMIGFUOCINNF-RMRHIDDWSA-N 324.377 -0.575 30 20 DBED CCC(=O)NCC(=O)N1CCOC[C@H]1CNC(=O)[C@@H](C)C#N 1061846195 NRVCBJZWRQLNHF-WDEREUQCSA-N 310.354 -0.984 30 20 DBED C=CCOCC(=O)NCC1(NC(=O)[C@H]2CC(=O)N(C)C2)CCC1 1062704389 JCTQKIUBLCZOPA-LBPRGKRZSA-N 323.393 -0.178 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)CNC(=O)C2CC2)CCC1 1064302865 UTYHEWBGZQVBHF-SNVBAGLBSA-N 306.366 -0.173 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CN(C(=O)c2ccc(O)nn2)CCO1 1064812122 LQUMTBBMSDCXGM-UWVGGRQHSA-N 319.321 -0.701 30 20 DBED CC(C)C#CC(=O)N1CCO[C@H](CNC(=O)c2cnn[nH]2)C1 1065125907 GKSCUUYFRJHQAT-LLVKDONJSA-N 305.338 -0.579 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)Cc2cnc[nH]2)C1 1065557391 QFSHDPTVDWCQLV-PWSUYJOCSA-N 305.338 -0.545 30 20 DBED N#Cc1cccnc1N1C[C@H]2CC[C@H]1CN2C(=O)Cn1ncnn1 1068051263 BWPSSWBKVGNEGL-OLZOCXBDSA-N 324.348 -0.180 30 20 DBED C[C@@H]1C[C@@H](Nc2ccc(C#N)nn2)CN1C(=O)c1nnn(C)n1 1069178370 NLPQUWZBXIVSEM-PSASIEDQSA-N 313.325 -0.413 30 20 DBED CN1CC[C@@H](CC(=O)N2C[C@H](n3ccnn3)[C@H](NCC#N)C2)C1 1070310309 UXBVAUUPPOZVGH-MJBXVCDLSA-N 317.397 -0.515 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@@H]2COC(=O)N2)C[C@H]1c1cncn1C 1070643341 XHUWDWFNOXPPGT-UTUOFQBUSA-N 317.349 -0.954 30 20 DBED O=C(CCn1cnnn1)N[C@@H]1CCCN(C(=O)C#CC2CC2)C1 1070707991 RYCVXJHWPWOPDK-CYBMUJFWSA-N 316.365 -0.416 30 20 DBED CC#CCN1CCNC(=O)CCN(C(=O)CC2(O)CCC2)CC1 1070961983 BIDUAKSWPVXJRF-UHFFFAOYSA-N 321.421 -0.035 30 20 DBED C[C@H]1CN(C(=O)CCn2ccnn2)C[C@]2(CCN(CC#N)C2)O1 1071159673 PMBVQXSPHOJELN-DZGCQCFKSA-N 318.381 -0.116 30 20 DBED C=CCOCC(=O)N1C[C@H](C)[C@H](NC(=O)CCCC(N)=O)C1 1071805488 OTEHTLCWTSRGFE-NWDGAFQWSA-N 311.382 -0.192 30 20 DBED C#CCOCCC(=O)N[C@H]1CN(C(=O)c2ncn(C)n2)C[C@@H]1C 1072017685 JTFCMWBTHQFJIZ-RYUDHWBXSA-N 319.365 -0.568 30 20 DBED C=CCCOCC(=O)N1C[C@@H](C)[C@@H](NC(=O)c2nc[nH]n2)C1 1072337874 XWZSNVYZXGKKPN-MNOVXSKESA-N 307.354 -0.026 30 20 DBED C=CCOCC(=O)N1CCN(C2CN(C(=O)[C@H](C)C#N)C2)CC1 1073554405 WHRRFSOFWPTONK-CYBMUJFWSA-N 320.393 -0.296 30 20 DBED CNC(=O)CN1CCCO[C@@H](CNC(=O)c2c[nH]c(C#N)c2)C1 1073577218 SALMOQGAYKYEFA-ZDUSSCGKSA-N 319.365 -0.547 30 20 DBED CCCOCC(=O)N1CC(N2CCN(C(=O)[C@H](C)C#N)CC2)C1 1073597367 XXJMYNCPDLVURN-CYBMUJFWSA-N 322.409 -0.072 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)Cc3ccn(C)n3)C[C@H]21 1074238669 RLHICIHYFXGOFI-HUUCEWRRSA-N 302.378 -0.103 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)c3cnnc(O)c3)C[C@H]21 1074270045 AOPCXUABYOWTDN-OLZOCXBDSA-N 302.334 -0.269 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H]2CN(C(C)=O)C[C@@H]2CC1 1074320736 UGCHLSZDXDFAAX-OKILXGFUSA-N 305.378 -0.157 30 20 DBED COCC(=O)N1CCC(O)(CNC(=O)CSCC#N)CC1 1074416144 FJINQYHNSVWUHK-UHFFFAOYSA-N 315.395 -0.641 30 20 DBED C[C@H]1[C@@H](N[C@H]2CCC(=O)NC2=O)CCN1C(=O)C#CC1CC1 1074646530 AHOBKWJNYFBORM-DRZSPHRISA-N 303.362 -0.216 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CCN(C(=O)Cc2cnoc2)CC1 1074685728 QQVJIPBDILRVIS-NSHDSACASA-N 320.349 -0.154 30 20 DBED COC[C@H](C)C(=O)NCC1(O)CCN(C(=O)[C@H](C)C#N)CC1 1074705781 ZDFXASIQWDLZEU-NEPJUHHUSA-N 311.382 -0.102 30 20 DBED C#CCN1C[C@@H]2CCN(C(=O)[C@H]3CCCN(C(N)=O)C3)[C@@H]2C1 1076008778 HCTADCXDJCEMKH-MELADBBJSA-N 304.394 -0.057 30 20 DBED C#CCCCC(=O)NCC[C@H](C)NC(=O)CC(=O)NCC#C 1076307752 YNMLCMRFXZQTES-ZDUSSCGKSA-N 305.378 -0.060 30 20 DBED C#CCCN1C[C@@H]2CCN(C(=O)CN3CCC(=O)NC3=O)[C@@H]2C1 1076437086 AMRLOXOLNPNZPT-QWHCGFSZSA-N 318.377 -0.516 30 20 DBED C=CCn1cc(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)CCC)C2)nn1 1081199691 MJKDLBARTBNYCR-WCQYABFASA-N 321.381 -0.187 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2cc[nH]n2)C[C@@H]1O 1081343553 DQAHUPVRNRCSTF-JQWIXIFHSA-N 308.338 -0.839 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)CSCC#N)C[C@H]1O 1081441232 GCHAVMXJUMIYJI-QWHCGFSZSA-N 323.418 -0.018 30 20 DBED C#CCCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)Cc2ncc[nH]2)C1 1081693116 OGWXQTNGDAOMDA-QWHCGFSZSA-N 318.377 -0.309 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1ccc(C(N)=O)s1 1082232632 RRDVRWRXPFTNCR-RKDXNWHRSA-N 308.363 -0.200 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)C[C@H]1CCC(=O)N1C 1083161632 LVGXQTIIUOITJO-QLFBSQMISA-N 319.405 -0.068 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cnc(OC)nc1 1083238915 ITXMHWDQWLRFLC-QWHCGFSZSA-N 302.334 -0.356 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]2CCN(Cc3nc(=O)n(C)[nH]3)[C@H]2C1 1084906517 WDAOMSNRAHMESO-TUAOUCFPSA-N 318.381 -0.309 30 20 DBED C[C@@H]1[C@@H](NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)CCN1CC#N 1088565682 ZEBIOAPOVOQTFL-WZRBSPASSA-N 316.365 -0.135 30 20 DBED C[C@@H](C[C@@H](C)Nc1ccc(C#N)nn1)NC(=O)CNC(N)=O 1089216346 WBDSMVPLAPINNH-BDAKNGLRSA-N 305.342 -0.288 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2cnn3ncccc23)[C@H](O)C1 1090332409 XZYAXEMBZSAMSG-UKRRQHHQSA-N 313.361 -0.082 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2cn(C)c(C)cc2=O)[C@@H](O)C1 1090342088 NVEFPLTXEVCZJA-HIFRSBDPSA-N 303.362 -0.508 30 20 DBED C=CCN1CC[C@H](NC(=O)c2cc(=O)c(OC)co2)[C@@H](O)C1 1090432005 HECNRZISTPXHDI-JQWIXIFHSA-N 308.334 -0.001 30 20 DBED Cc1c[nH]c(CC(N)=O)c1C(=O)N[C@H]1CCN(CC#N)C[C@@H]1O 1090582535 CJMDWWWDHOCWAY-JQWIXIFHSA-N 319.365 -0.961 30 20 DBED CC(=O)N(C)CC(=O)NC1[C@H]2CN(c3ccnc(C#N)n3)C[C@H]12 1093216850 ALNUPNOSXGNHRF-QWRGUYRKSA-N 314.349 -0.623 30 20 DBED N#Cc1cnc(NCCNC(=O)[C@H]2CCc3nncn3C2)cn1 1093668821 UGHLMNBMYWAGDO-JTQLQIEISA-N 312.337 -0.270 30 20 DBED C#CCO[C@H](C)C(=O)NCCNc1ncc(C(=O)OC)cn1 1093877956 BBXQHKYXZRIFPX-SNVBAGLBSA-N 306.322 -0.170 30 20 DBED N#CCN1CC(N2C[C@H](NC(=O)c3ccc(F)nc3)CC2=O)C1 1094713915 LEHADSRHQCBWFI-LLVKDONJSA-N 317.324 -0.241 30 20 DBED C=CCCN1CC(N2C[C@@H](NC(=O)Cc3nc[nH]n3)CC2=O)C1 1094803610 HUPPUJOMCLJBSQ-NSHDSACASA-N 318.381 -0.675 30 20 DBED CN(CCCNC(=O)CN1CCOCC1)c1cnc(C#N)cn1 1095525725 FGCVRZFDDXHHFM-UHFFFAOYSA-N 318.381 -0.377 30 20 DBED CN(CCCNC(=O)c1cnn(C)n1)c1ccc(C#N)nn1 1095587754 DMTOMVOFKNBUJJ-UHFFFAOYSA-N 300.326 -0.267 30 20 DBED CNC(=O)NCC(=O)NC[C@@H](N=c1cc[nH]c(C#N)n1)C1CC1 1096838091 XNSXFZWYQXSGMC-SNVBAGLBSA-N 317.353 -0.994 30 20 DBED N#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H]1CCc2nnc(O)n2C1 1097368878 ZWMMGTKOGPRBPM-QCNOEVLYSA-N 316.365 -0.209 30 20 DBED C[C@H](CNC(=O)C[C@H]1CCNC1=O)Nc1cncc(C#N)n1 1098097420 FGKCWTZCFBBALS-NXEZZACHSA-N 302.338 -0.209 30 20 DBED C#CCCN1CC[C@H](NC(=O)C(C)(C)CNC(C)=O)[C@@H](O)C1 1100031500 GEKYQHNCWSMEKV-KBPBESRZSA-N 309.410 -0.277 30 20 DBED C#CCO[C@H](C)C(=O)NCC1CC(NCc2cnnn2C)C1 1100322109 BNZYXYMHRPGUAA-PNESKVBLSA-N 305.382 -0.162 30 20 DBED C[C@@H](C(=O)NCCN(C)c1ccc(C#N)nn1)[C@H]1CCC(=O)N1 1100333265 BRKDWKWDQSIMOA-ZYHUDNBSSA-N 316.365 -0.185 30 20 DBED C[C@H]1CCCN1CC(=O)NCC1CC(NCC(=O)NCC#N)C1 1100673869 CNDFZHIBUCDUAG-HSBZDZAISA-N 321.425 -0.405 30 20 DBED CCC(=O)NCC(=O)NC[C@@H]1CCN(c2nccnc2C#N)C1 1100951592 HDMGHIOQCATKQX-NSHDSACASA-N 316.365 -0.183 30 20 DBED C=CCOCC(=O)N[C@@H]1CC2(CN(CC(N)=O)C2)n2ccnc21 1101619052 NNIJMHKJCHTNGD-LLVKDONJSA-N 319.365 -0.857 30 20 DBED C=CCN1CC2(C[C@@H](NC(=O)CC(=O)NC)c3nccn32)C1 1101623753 JPXGSTAESODMKI-LLVKDONJSA-N 303.366 -0.223 30 20 DBED Cc1ccc(C#N)c(NCCN(C)C(=O)c2nnn(C)n2)n1 1101895381 NCEPRPRBSWEBOI-UHFFFAOYSA-N 300.326 -0.031 30 20 DBED CC(=O)N(C)CC(=O)N(C)[C@@H]1CCN(c2nccnc2C#N)C1 1102671308 JSTHEOCXXJANBS-GFCCVEGCSA-N 316.365 -0.136 30 20 DBED CC[C@@H](CNC(=O)Cn1ncnn1)Nc1ncccc1C#N 1103207735 KUOIFMLFNBXJCA-NSHDSACASA-N 300.326 -0.053 30 20 DBED CNC(=O)CC(=O)NC[C@@H](O)CNc1cccc(F)c1C#N 1105799142 VOXKEJSYLPXNSP-VIFPVBQESA-N 308.313 -0.278 30 20 DBED CN1CC[C@H](C(=O)NC[C@@H](O)CNc2ccc(C#N)nn2)C1 1105853079 GRBNFFCSPYOUDG-JQWIXIFHSA-N 304.354 -0.811 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H](O)CNc1ncnc2c1CCC2 1105971103 SQFGBHLUWPJVHN-VXGBXAGGSA-N 318.377 -0.107 30 20 DBED COCC1(C(=O)NC[C@@H](O)CN=c2cc[nH]c(C#N)n2)CCC1 1106026783 RJZPRXFKVGQBJD-NSHDSACASA-N 319.365 -0.524 30 20 DBED C[C@H](CCN=c1cc[nH]cc1C#N)NC(=O)[C@H]1CCC(=O)N1 1106271183 IHPKTMKGMXRXPL-ZWNOBZJWSA-N 301.350 -0.040 30 20 DBED C[C@@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)c1c[nH]c(=O)cn1 1106564625 IJTAOMDTPJAQPK-VIFPVBQESA-N 313.321 -0.526 30 20 DBED C#CCCCC(=O)NCc1cn(C2CN(CC(=O)NC)C2)nn1 1107164001 LKFVFEBRKBFSIZ-UHFFFAOYSA-N 318.381 -0.700 30 20 DBED C#CCN1CC(n2cc(CNC(=O)Cc3cnoc3)nn2)C1 1107198382 FCAGIMBWUQONEN-UHFFFAOYSA-N 300.322 -0.385 30 20 DBED C#CCN1CC(n2cc(CNC(=O)CCc3cn[nH]c3)nn2)C1 1107219965 VLEWEOFGHBMYDI-UHFFFAOYSA-N 313.365 -0.260 30 20 DBED C[C@@H](CC(=O)NC/C=C\CN=c1cc[nH]c(C#N)n1)NC(N)=O 1107351708 YINBDVDKSUHKNN-ZMWSMAPVSA-N 317.353 -0.699 30 20 DBED Cn1c(C(=O)NC/C=C\CN=c2cc[nH]c(C#N)n2)cnc1O 1107450589 GRQAKCHROCKIPG-IHWYPQMZSA-N 313.321 -0.393 30 20 DBED C=CCOCC(=O)NC[C@]1(C)CN(CCn2cncn2)CCO1 1107813217 PLZOAGICWSHBSR-OAHLLOKOSA-N 323.397 -0.312 30 20 DBED C#CCNC(=O)CN1CCO[C@](C)(CNC(=O)C#CC2CC2)C1 1107932569 OJVNUKSQBBVGAA-QGZVFWFLSA-N 317.389 -0.644 30 20 DBED Cc1cc(=NC[C@@H](C)NC(=O)[C@@H]2CN(C)C(=O)N2)c(C#N)c[nH]1 1108041362 OAUSQDJCYICOFL-MFKMUULPSA-N 316.365 -0.376 30 20 DBED C[C@@H](CNc1ncccc1C#N)NC(=O)Cn1cnnc1O 1108315661 NCMHHAHLNXLLBT-VIFPVBQESA-N 301.310 -0.133 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)C(C)(C)NC(=O)NC)C1 1108417887 KRGCZBHZZPMZBX-HNNXBMFYSA-N 310.398 -0.466 30 20 DBED C#CCCCC(=O)N1CCN(CCO)[C@H]2CS(=O)(=O)C[C@H]21 1108471391 DBBZQQDPVYYTSN-QWHCGFSZSA-N 314.407 -0.908 30 20 DBED CC(C)C#CC(=O)N[C@H]1CC(=O)N(C2CN(CCCO)C2)C1 1108543144 UCQHOULMJBJZPZ-ZDUSSCGKSA-N 307.394 -0.571 30 20 DBED C[C@@H]1C[C@H](N=c2cc[nH]c(C#N)n2)CCN1C(=O)CNC(N)=O 1110508162 WSVKRGREGMSSCA-NXEZZACHSA-N 317.353 -0.770 30 20 DBED C#CCN(C(=O)C(N)=O)C1CCN(c2ccc(C#N)cn2)CC1 1110628512 FMTCSGBEJGHMLZ-UHFFFAOYSA-N 311.345 -0.131 30 20 DBED CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N)N(C)C 1110714746 DTRNWUXYQGZZHY-SYQHCUMBSA-N 321.425 -0.312 30 20 DBED COC(=O)NCC(=O)N(C)CCCN(C)c1cncc(C#N)n1 1112035006 JLGIVSSOGYYEKV-UHFFFAOYSA-N 320.353 -0.011 30 20 DBED C[C@@H]1C[C@H](NC(=O)CNC(N)=O)CCN1c1nccnc1C#N 1112456855 DLNFARXQKUSQSC-NXEZZACHSA-N 317.353 -0.510 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)C[C@@H]2CCNC2=O)CC1 1112961013 UJCLWFLUTMPBBL-OLZOCXBDSA-N 322.409 -0.653 30 20 DBED C[C@H](CNC(=O)[C@H]1COCCN1C)N(C)c1ccnc(C#N)n1 1113561014 QOSIQFHLLPVVGO-VXGBXAGGSA-N 318.381 -0.380 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3c(C)noc3C)[C@H]2C1 1113838727 INVGJIRUVBYAJA-JYAVWHMHSA-N 316.361 -0.299 30 20 DBED CC(=O)CCCC(=O)NC1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]12 1113857531 MIQUUORHRRMVSZ-VXGBXAGGSA-N 306.366 -0.568 30 20 DBED CC(=O)NCC(=O)N[C@H]1CN(c2cncc(C#N)n2)CC1(C)C 1114419263 ICHZZBVXFNOMHL-LBPRGKRZSA-N 316.365 -0.185 30 20 DBED C=CCNC(=O)NC(=O)CN1C[C@@H]2C(NC(=O)[C@H]3C[C@@H]3C)[C@H]2C1 1114682843 FIAPYFMSCUKWOC-BJDJZHNGSA-N 320.393 -0.299 30 20 DBED Cc1nc(C(=O)NC2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]23)c(C)o1 1115011263 TYWNPQSENBWNBS-GHMZBOCLSA-N 317.349 -0.409 30 20 DBED C=CCOCCN1C[C@@H]2C(NC(=O)C(=O)NCC3CC3)[C@H]2C1 1115036270 QDPZPPUMQAFRTN-STQMWFEESA-N 307.394 -0.238 30 20 DBED C#CCCN1C[C@@H]2C(NC(=O)C(=O)NCC(F)(F)F)[C@H]2C1 1115041326 IBMWOFKRXZROCW-IUCAKERBSA-N 303.284 -0.265 30 20 DBED C=CCCOCC(=O)N[C@H]1[C@@H]2CN(CCn3cncn3)C[C@@H]21 1115330742 SHFCHVHOJUAPQN-NHAGDIPZSA-N 305.382 -0.083 30 20 DBED N#Cc1ccc(S(=O)(=O)CCNC[C@H]2CNC(=O)C2)nc1 1118154823 AGPRNNONRHYFLL-NSHDSACASA-N 308.363 -0.547 30 20 DBED C[C@H](CN(C)C(=O)Cn1nccn1)N=c1cc[nH]c(C#N)n1 1120199399 IEJMUPCMISVPOS-SNVBAGLBSA-N 300.326 -0.679 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)c2c[nH]c(C#N)c2)nn1 1121353657 UMPNZBLTRLBRGC-LBPRGKRZSA-N 311.305 -0.249 30 20 DBED CN1CC[C@H](CC(=O)NC[C@@H](CO)Nc2cncc(C#N)n2)C1 1121806364 KIODAHNWUPZTQE-YPMHNXCESA-N 318.381 -0.421 30 20 DBED COCCO[C@H](C)C(=O)NC[C@@H](CO)N=c1cc[nH]cc1C#N 1122012381 JSUVKMHHIIWKKQ-YPMHNXCESA-N 322.365 -0.684 30 20 DBED CCn1ccc(C(=O)NC[C@H](CO)N=c2cc[nH]c(C#N)n2)n1 1122053177 VBJNJLZXCAPUTL-SNVBAGLBSA-N 315.337 -0.811 30 20 DBED CN1C(=O)CC[C@H]1C(=O)NC[C@@H](CO)Nc1ncccc1C#N 1122334448 URNGSWXHWWWAPM-RYUDHWBXSA-N 317.349 -0.537 30 20 DBED C[C@@H](CC(N)=O)C(=O)NC[C@@H](CO)Nc1ccc(C#N)cn1 1122353903 DYTOXSJEMVQSCW-ONGXEEELSA-N 305.338 -0.646 30 20 DBED Cc1ccn(CC(=O)NC[C@H](CO)Nc2cncc(C#N)n2)n1 1122593031 KIABARRVQMYIGS-GFCCVEGCSA-N 315.337 -0.558 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@H](CO)Nc1ccnc(C)n1 1122769460 KMJIBKIOMHRFGD-KBPBESRZSA-N 317.393 -0.228 30 20 DBED COCCOCC(=O)N1CC[C@@H](N=c2cc[nH]c(C#N)n2)[C@H]1C 1122952014 ZEMIZTKAKKOMFP-VXGBXAGGSA-N 319.365 -0.166 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)c1cc(CC)[nH]n1 1123857271 SJVFCVGHHACOFF-UHFFFAOYSA-N 322.369 -0.697 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)c1cccn2nnnc12 1128209385 XYJAJOSQSDMUNY-JTQLQIEISA-N 317.353 -0.866 30 20 DBED C#CCOCCC(=O)N1C[C@H](n2ccnn2)[C@H](NCC=C)C1 1129845224 PSVQWKAFVJJKBA-KGLIPLIRSA-N 303.366 -0.155 30 20 DBED COC[C@@H](C)CC(=O)N1C[C@H](n2ccnn2)[C@H](NCC#N)C1 1130066977 QRESBLAHMCPAHA-XQQFMLRXSA-N 306.370 -0.184 30 20 DBED CNC(=O)C1(C(=O)N2C[C@@H]3C[C@@H]4CN(CC#N)C[C@]3(C2)O4)CC1 1131276965 QBPQGSQDOOGKQJ-HWWQOWPSSA-N 318.377 -0.662 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1cnc2c(c1)ncn2C 1132268562 MHIZHEWUECQBLS-UHFFFAOYSA-N 316.365 -0.410 30 20 DBED C[C@H](C[C@@H](C)NC(=O)CC1(O)CCC1)NCC(=O)NCC#N 1134348870 OPYAUEHMTBUTES-VXGBXAGGSA-N 310.398 -0.196 30 20 DBED COCC#CCN1CCCO[C@@H](CNC(=O)c2ncc[nH]2)C1 1149673669 OVWOYHLUDSSANH-ZDUSSCGKSA-N 306.366 -0.120 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)CCN1CCCCC1 1152348164 LPPTUAFVFHUMKI-AWEZNQCLSA-N 308.426 -0.294 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)CCCC(=O)NC 1156879472 KIBASYZSDBBHTE-GFCCVEGCSA-N 312.414 -0.311 30 20 DBED N#CCNC(=O)CNCCCNC(=O)c1ccnc2[nH]cnc12 1159008587 LSLJJGVPYBNAOW-UHFFFAOYSA-N 315.337 -0.693 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1162843365 OXGQLPMSBFNNHT-DEPYFDJDSA-N 319.405 -0.356 30 20 DBED C=C(C)CNCC1(CCNC(=O)CNC(=O)CNC(C)=O)CC1 1165797687 XIUVJRGVLLBLJB-UHFFFAOYSA-N 324.425 -0.309 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)Cn1nccc1C 1167449777 YIFBVAHIGQRXRZ-ZDUSSCGKSA-N 307.398 -0.022 30 20 DBED C=CCNC(=O)CNCCCNC(=O)c1cc2ncccn2n1 1168916925 PYOPYALJVAFIQW-UHFFFAOYSA-N 316.365 -0.259 30 20 DBED C=CCNC(=O)NC(=O)CNCCCNC(=O)Cc1ccc[nH]1 1176659134 XZLPZNWBWCUGMQ-UHFFFAOYSA-N 321.381 -0.335 30 20 DBED C#CCNC(=O)CN1CCO[C@@H]2CCN(C(=O)C3CC3)C[C@@H]21 1176881147 BPPLWRIURLODDC-UONOGXRCSA-N 305.378 -0.553 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)Cc2cc[nH]n2)[C@H]1C 1178405851 QFLPNGLQBXCTOL-DYEKYZERSA-N 317.393 -0.331 30 20 DBED COCC#CCN[C@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)[C@H]1C 1179530396 ZRUHEZHAXUKNLJ-XDQVBPFNSA-N 323.393 -0.752 30 20 DBED C#CCCN[C@H]1CCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)[C@H]1C 1179649025 VKXXRCPCSYUIOU-QWRGUYRKSA-N 320.349 -0.991 30 20 DBED C=CCOCC(=O)N1CC[C@@H](NCc2nnnn2C2CC2)C1 1181644819 ZINBUCVMYJKDQR-LLVKDONJSA-N 306.370 -0.099 30 20 DBED C#CCNC[C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C[C@@H]1C 1184422570 IHMJTCWKLSGWBJ-RYUDHWBXSA-N 318.381 -0.916 30 20 DBED C#CCCNC[C@H]1CCN(C(=O)Cn2ncn(C)c2=O)C[C@H]1C 1184684692 SHCHYAOBICPCNZ-ZIAGYGMSSA-N 319.409 -0.321 30 20 DBED C=CCOCCCC(=O)N[C@@H]1CN([C@H]2CCNC2=O)C[C@H]1O 1192054387 SDOMUZXPHKOBEO-FRRDWIJNSA-N 311.382 -0.981 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(Cc2cncc(OC)n2)C[C@H]1O 1192510191 IVSLOOJOMGKSCO-ZIAGYGMSSA-N 318.377 -0.050 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2[nH]ccc2C)C1 1192570894 FFZTWCMGTOUREG-VXGBXAGGSA-N 306.366 -0.600 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@@H]1CCN(C(=O)c2ccn(C)n2)C1 1194026696 IWSCSZWNJOZZSJ-QWHCGFSZSA-N 317.393 -0.296 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@]2(C)C=CCC2)C1 1195320147 XLHAPFSPGZSNCU-XJKCOSOUSA-N 307.394 -0.194 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2ccnc(C)c2)C1 1197107508 IDJVOTSCBBWHJW-ZIAGYGMSSA-N 318.377 -0.533 30 20 DBED C#CCNC[C@@H]1CN(C(=O)[C@@H]2CCCN2CC#C)CCCO1 1200722473 XWFYIHLXRRQQLA-CVEARBPZSA-N 303.406 -0.076 30 20 DBED C#CCNC[C@H]1CN(C(=O)c2cccc(=O)n2C)CCCO1 1201380687 GAJQENRBZPZLBI-ZDUSSCGKSA-N 303.362 -0.161 30 20 DBED C=C(C)CCNC1CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)CC1 1202813016 RCEIQMZLKFCPJV-AWEZNQCLSA-N 324.425 -0.087 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC(CNC[C@H](O)COC)CC1 1205264158 AKPKQRUPYVBFKW-ZFWWWQNUSA-N 312.410 -0.140 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)COC(C)C)[C@H](C)C1 1206450488 WSJJWTXJJWATLD-MGPQQGTHSA-N 309.410 -0.014 30 20 DBED CCS(=O)(=O)NCCN1C[C@@H](NC(=O)[C@@H](C)C#N)[C@H](C)C1 1206659849 SLUDHUJXZRJACQ-QJPTWQEYSA-N 316.427 -0.478 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)CCN(C)C)[C@H](C)C1 1208495991 FWFYMKQVCIJPNQ-HZSPNIEDSA-N 308.426 -0.488 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CCCN(C(=O)c2nc[nH]n2)C1 1210206428 MFDKNNYVIWOEDQ-WDEREUQCSA-N 306.370 -0.310 30 20 DBED CC#CCN[C@H]1CCCN(C(=O)[C@@H]2CN(C(C)=O)CCO2)C1 1210891787 AWLIVYCWYJRLBI-GJZGRUSLSA-N 307.394 -0.162 30 20 DBED CCc1nnc(CN2C[C@@H](NC(=O)[C@@H](C)C#N)[C@H](OC)C2)n1C 1212040004 ZUBYZVKXUUKFMC-QJPTWQEYSA-N 320.397 -0.147 30 20 DBED C#CCN1C[C@@H](NC(=O)CCNC(=O)CC(C)C)[C@H](OC)C1 1213990168 BJTLDAXFIGQFNS-ZIAGYGMSSA-N 309.410 -0.013 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)c2cnc(C)cn2)C[C@H]1C 1214074840 WRMJYUBLHKKFDE-BXUZGUMPSA-N 315.377 -0.415 30 20 DBED COCC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)Cn1cccn1 1217285212 AOTGRWINBSARMO-LSDHHAIUSA-N 318.377 -0.556 30 20 DBED CC(C)=C(F)C(=O)N1CCO[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1217625566 PVQKNZATCMMAJK-NWDGAFQWSA-N 324.356 -0.199 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)c2ncoc2C)C1 1219286562 DDEUQZSDWQXBOZ-WCQGTBRESA-N 322.365 -0.551 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)COC(C)(C)C)C1 1219488518 IVAVQQMRONBSLU-NEPJUHHUSA-N 313.398 -0.735 30 20 DBED C=CCCCCCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CN(C)C(=O)N2)C1 1220132715 QVLSFJANNVCHDQ-RDBSUJKOSA-N 324.425 -0.082 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@H](CC(C)C)NC(C)=O)C1 1220812684 NIZOWDCKAAQXSC-ZNMIVQPWSA-N 309.410 -0.278 30 20 DBED C=CCCCN1C[C@H](O)[C@H](NC(=O)c2cncc(C(N)=O)c2)C1 1220987315 MHANEIXWEWYTLO-KGLIPLIRSA-N 318.377 -0.078 30 20 DBED C=CCCN1CC[C@@H]2CN(C(=O)CNC(=O)CNC(C)=O)[C@@H]2C1 1221654382 IJJKLXRCVNSUQP-ZIAGYGMSSA-N 322.409 -0.653 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)c2cnccn2)CC1 1222269767 OHKLVRYZQWUJGJ-UHFFFAOYSA-N 315.377 -0.332 30 20 DBED C#CCOCCC(=O)NCC1CCN([C@H](C)C(=O)NC)CC1 1223174573 IEQBXCMEYJQWPV-CYBMUJFWSA-N 309.410 -0.011 30 20 DBED COCC#CCN1CCC(CNC(=O)[C@H]2C[C@H]2C(N)=O)CC1 1224545553 AFKPMUQEYDXQFS-KGLIPLIRSA-N 307.394 -0.414 30 20 DBED COCC#CCN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC(=O)N1 1229787012 NQSWYUJFIWPYMA-MCIONIFRSA-N 307.394 -0.068 30 20 DBED C#CCOCCC(=O)N(C)C[C@@H]1CCN1Cc1cnnn1C 1234255259 KJZSYMHPPJYSGX-ZDUSSCGKSA-N 305.382 -0.112 30 20 DBED CN(C)C(=O)Cn1cc(C(=O)N2CCC[C@@H]2CNCC#N)nn1 1270309017 RTKOFCCUYRNAKK-LLVKDONJSA-N 319.369 -0.916 30 20 DBED C#CCNC[C@@H]1CCCCN1C(=O)CN1CC(=O)N(C)C1=O 1281890249 HJPCFNRHFAXOLB-LBPRGKRZSA-N 306.366 -0.516 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cnc(C)nc1 1320013413 JSUBNOFKCXFGPR-UHFFFAOYSA-N 312.351 -0.559 30 20 DBED C#CCOCCNC(=O)C(=O)N(C)Cc1ncc(Cl)n1C 1322966075 BQBNZKYMZFLQMS-UHFFFAOYSA-N 312.757 -0.202 30 20 DBED CN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccn(CCC#N)n2)C1=O 1323760642 FLAPKXYYOZZHQW-SNVBAGLBSA-N 318.337 -0.576 30 20 DBED C=CCCO[C@@H](C)C(=O)OCC(=O)N[C@H]1CCS(=O)(=O)C1 1324480954 YJYSFZHBZMTAKX-QWRGUYRKSA-N 319.379 -0.186 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)N[C@H]2CCO[C@H](C3CC3)C2)C1 1326111422 KSWNFXTTWYCPSH-XEZPLFJOSA-N 321.377 -0.063 30 20 DBED CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)C1 1326529102 GFCFNWJHIGQGDE-DOMZBBRYSA-N 308.382 -0.584 30 20 DBED C#CCC[C@H](O)CNC(=O)C(=O)Nc1cc(C)n(CCC#N)n1 1327029948 PRPCUQUNCHADDR-LBPRGKRZSA-N 317.349 -0.066 30 20 DBED N#CCNC(=O)CNC(=O)C1CCN([C@@H]2CCSC2)CC1 1327098581 ZGDGYVKPRJLTOJ-GFCCVEGCSA-N 310.423 -0.040 30 20 DBED C=CCN(C(=O)C(=O)N1CCCO[C@H](CN)C1)[C@@H](C)COC 1327942368 YWHJNQUQFNLSFI-QWHCGFSZSA-N 313.398 -0.388 30 20 DBED COCC#CC(=O)NC[C@@H]1CCCC[C@@H]1NS(C)(=O)=O 1328688553 SMLVWKUSUIPRQP-RYUDHWBXSA-N 302.396 -0.140 30 20 DBED C=CCOCCNC(=O)C(=O)NCC1([S@](C)=O)CCC1 1330758493 ACYDCWXHEUHCMK-FQEVSTJZSA-N 302.396 -0.277 30 20 DBED C=CCN(C(=O)C(=O)N[C@@H]1CC[C@H](C(N)=O)C1)[C@@H](C)COC 1334216820 ZXQBBLBECGVTIP-SDDRHHMPSA-N 311.382 -0.194 30 20 DBED C#CCSCCn1nnnc1N1CCN2C(=O)NC[C@H]2C1 1337201991 MSGXXDTYZUFCHT-JTQLQIEISA-N 307.383 -0.747 30 20 DBED C#C[C@H](NC(=O)C1(CS(C)(=O)=O)COC1)[C@@H]1CCCO1 1346762788 CCWYPHCHKHNWHF-QWRGUYRKSA-N 301.364 -0.655 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](NC(=O)CCS(C)(=O)=O)C1 1372284641 ZGDKGKJZSRHJEN-ZJUUUORDSA-N 301.368 -0.702 30 20 DBED C=C(Cl)CN[C@H]1C[C@H](CNC(=O)CS(=O)(=O)NC)C1 1375554680 RGPXYDCAIYUGPZ-MGCOHNPYSA-N 309.819 -0.228 30 20 DBED C[C@@H](CNC(=O)CN1CCCC1=O)NC(=O)c1c[nH]c(C#N)c1 1386163319 XSXQTLOVUWKMKB-JTQLQIEISA-N 317.349 -0.257 30 20 DBED CN1CC[C@@H](C(=O)NC[C@@H](O)CNC(=O)c2cc(C#N)c[nH]2)C1 1389087934 STBRKZFHJHVQHV-VXGBXAGGSA-N 319.365 -0.955 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CCN(C(=O)CN2CCCC2=O)C1 1396776574 RRTZBFGBULJGQR-NEPJUHHUSA-N 306.366 -0.172 30 20 DBED CC[C@@H](CNC(=O)Cn1cncn1)NC(=O)c1cc(C#N)c[nH]1 1409394839 NMZVBHVHJVPCAO-NSHDSACASA-N 315.337 -0.197 30 20 DBED CCc1nnc(C)cc1C(=O)NC[C@H](O)CNC(=O)[C@H](C)C#N 1410129698 LCRCXEOVOSKMMO-MWLCHTKSSA-N 319.365 -0.286 30 20 DBED C[C@@H]1[C@H](N(C)C)CCN1C(=O)Cn1cc(C#N)c(O)nc1=O 1413019260 RZEWOXRAYZJZOF-MWLCHTKSSA-N 305.338 -0.628 30 20 DBED COCCN(CCC#N)S(=O)(=O)N(C)[C@@]1(CO)CCOC1 1414271060 PSBHCMJICIIKRE-GFCCVEGCSA-N 321.399 -0.824 30 20 DBED CS(=O)(=O)CC(=O)NC[C@@H]1CCN1C(=O)c1c[nH]c(C#N)c1 1417007726 UGNIYDNGWYLKSY-NSHDSACASA-N 324.362 -0.738 30 20 DBED N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@H]2CCC[C@@H]2O)c1 1421001813 NJSOIDFEGMDGPW-STQMWFEESA-N 323.374 -0.134 30 20 DBED CCc1noc(CNC[C@H](O)CNC(=O)c2cc(C#N)c[nH]2)n1 1422272850 MINNAHKVUMWIHA-JTQLQIEISA-N 318.337 -0.288 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCN(C)C(=O)c1ccc(C(N)=O)nc1 1433185842 ZFZOQYWUOOFDPF-JTQLQIEISA-N 317.349 -0.129 30 20 DBED Cn1c(N[C@H](CCO)C(F)(F)F)c(C#N)c(=O)n(C)c1=O 1434450134 DQLDNJRCHZZPKO-SSDOTTSWSA-N 306.244 -0.319 30 20 DBED C=C(Cl)CN1CC[C@@](O)(CNC(=O)[C@@H]2CCC(=O)N2C)C1 1439999165 LCAIQECSUWHPLK-SMDDNHRTSA-N 315.801 -0.087 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H](CNC(=O)CS(C)(=O)=O)C1 1447601625 NNYWKALFAMMFDU-WDEREUQCSA-N 315.395 -0.455 30 20 DBED CCN(CCNC(=O)[C@@H](C)C#N)C(=O)c1cn(C)c(=O)nc1O 1449498242 PJTMQXJDLAEAKK-VIFPVBQESA-N 321.337 -0.776 30 20 DBED CN(C)CC1CN(C(=O)CCn2cc(C#N)c(O)nc2=O)C1 1468179649 XLKFMYJXDIFVDB-UHFFFAOYSA-N 305.338 -0.769 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)c2csnn2)C1 1480113662 GKICYYUWVDSILB-ZJUUUORDSA-N 307.379 -0.520 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C)CCN1CCCS1(=O)=O 1492217113 JYCPBLDVCRAZHU-NSHDSACASA-N 302.400 -0.770 30 20 DBED CCN(C(=O)[C@@H](C)C#N)[C@H](C)CNC(=O)c1c[nH]c(=O)cn1 1512480235 RIXHQFWDEGIJFO-VHSXEESVSA-N 305.338 -0.104 30 20 DBED C[C@H](C#N)C(=O)NCC1CN(C(=O)c2c[nH]c(C(N)=O)c2)C1 1530879972 IFNYUVFWKNWKKI-MRVPVSSYSA-N 303.322 -0.539 30 20 DBED C=CCO[C@H](C)C(=O)N1C[C@H]2[C@H](NC(=O)CNC(=O)O)[C@H]2C1 1573368193 JSSQADDIPHFBIT-SVDPJWKOSA-N 311.338 -0.582 30 20 DBED O=C1CC2(CN(C(=O)C#CC3CCNCC3)C2)n2ccnc2N1 1580839985 FNNKNFZLGUXZFS-UHFFFAOYSA-N 313.361 -0.234 30 20 DBED C#CCOCCC(=O)NCCNc1nccnc1-c1nn[nH]n1 1588361245 IJWZMRUSHGEXHD-UHFFFAOYSA-N 316.325 -0.775 30 20 DBED O=C(Nc1cccc(-c2nn[nH]n2)n1)N[C@@H]1CCCN(O)C1=O 1593244447 RIUAUCYJVBSERT-MRVPVSSYSA-N 318.297 -0.237 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@@]1(C(=O)O)CCOC1 1596231640 RGZKCOAKOUJMLM-PWSUYJOCSA-N 319.383 -0.206 30 20 DBED C#C[C@@H]1COCCN1C(=O)C(=O)Nc1cccc(C(=O)O)n1 1602681087 BBTZZJZKSYSBKA-SECBINFHSA-N 303.274 -0.421 30 20 DBED C#CC[C@H]1CCCN(c2[nH]c(=O)n(C)c(=O)c2-c2nn[nH]n2)C1 1602700196 RVPQODYJXUVEFM-VIFPVBQESA-N 315.337 -0.507 30 20 DBED N#CCN1CCN(Cc2cnc3c(-c4nn[nH]n4)cnn3c2)CC1 1606349515 CCQMAJFEKYCWNV-UHFFFAOYSA-N 324.352 -0.449 30 20 DBED N#CC1(NC(=O)Cn2cnc(-c3nn[nH]n3)n2)CCSCC1 1609495209 YJBSFJOSHGYTIB-UHFFFAOYSA-N 319.354 -0.636 30 20 DBED N#Cc1ccc(C(=O)NCCn2cnc(-c3nn[nH]n3)n2)cn1 1609498522 GXEINXMVGDZTIC-UHFFFAOYSA-N 310.281 -0.845 30 20 DBED N#Cc1ccc(CNC(=O)N2CC[C@H](S(N)(=O)=O)C2)nc1 1645785128 JEAKABTYGSJDNW-NSHDSACASA-N 309.351 -0.474 30 20 DBED C[C@H](NCC#N)[C@@H]1CCCCN1C(=O)CN1C(=O)CN(C)C1=O 1752157202 ODUPBLRSCQIRAQ-RYUDHWBXSA-N 321.381 -0.237 30 20 DBED CC#CCN1CCN(CCNC(=O)CN(C)C(=O)C2CC2)CC1 1752366096 RSEUPHJRFSQACV-UHFFFAOYSA-N 320.437 -0.388 30 20 DBED C#CCNC(=O)CNC[C@H]1CCCN(C(=O)CCCC(N)=O)C1 1752814304 GFBWMVHWFCSYGG-CYBMUJFWSA-N 322.409 -0.780 30 20 DBED C=CCNC(=O)CN[C@@H](C)CNC(=O)c1nc(C)c(C)nc1O 1752886047 ZEAWGCKKVNLWKJ-VIFPVBQESA-N 321.381 -0.191 30 20 DBED C#CCN[C@@H]1CCC[C@H](NC(=O)CCS(=O)(=O)NC)C1 1752966810 CMCPFAKQCLQJHE-NEPJUHHUSA-N 301.412 -0.424 30 20 DBED COCC#CCN(CCNC(=O)[C@H]1CCNC(=O)C1)C1CC1 1753153952 MFGAVLPWOHKDPY-ZDUSSCGKSA-N 307.394 -0.257 30 20 DBED C=CCNC(=O)CNCCN(C)C(=O)c1cccn(C)c1=O 1753252842 OLJXQGITAUONFB-UHFFFAOYSA-N 306.366 -0.651 30 20 DBED C#CCNC(=O)[C@H](C)N1CC(NC(=O)c2c(C)ccn2C)C1 1753375783 UWOFMDREBZKTSI-LBPRGKRZSA-N 302.378 -0.115 30 20 DBED C=C(C)CN(CC)C(=O)CNC[C@@H]1CCC[C@H]1NC(=O)C(N)=O 1753896847 YBPHKWJOOBEMJO-QWHCGFSZSA-N 324.425 -0.229 30 20 DBED CCN(CCNCC#CCOC)C(=O)[C@H]1CCc2nncn2C1 1754085338 YORWNWXUIVFNBO-AWEZNQCLSA-N 319.409 -0.072 30 20 DBED C=C(C)CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)CS(=O)(=O)NC 1754431801 UMJQMCKYCBGJTB-MDZLAQPJSA-N 301.412 -0.309 30 20 DBED C#CCNC[C@@H](NC(=O)CCS(=O)(=O)NC)C1CCCC1 1754647155 MCFNKEGTDUDFGN-CYBMUJFWSA-N 315.439 -0.177 30 20 DBED N#CCNC(=O)CN1C[C@H]2CN(C(=O)[C@H]3CC3(F)F)C[C@H]2C1 1754843054 XYMWJDDMDBJLTQ-OUAUKWLOSA-N 312.320 -0.328 30 20 DBED COCC#CCN1CCOC[C@@H]1CNC(=O)c1ccc(C)nn1 1754967783 PJTFNUSXROHLAA-AWEZNQCLSA-N 318.377 -0.135 30 20 DBED C=CCNC(=O)CN(C)CCCN(C)C(=O)c1cnnc(O)c1 1755039894 XPOHGWFCJKELIL-UHFFFAOYSA-N 321.381 -0.122 30 20 DBED C#CCNC(=O)CN(C)CCCN(C)C(=O)c1cnc(O)n1C 1755041073 KYEXQEOQADCBOU-UHFFFAOYSA-N 321.381 -0.731 30 20 DBED C[C@H]1C[C@H](NC(=O)c2cccnn2)CCN1CC(=O)NCC#N 1755168013 WAVFANAMWQZARJ-NWDGAFQWSA-N 316.365 -0.301 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(CNC(=O)C3(COC)CC3)[C@@H]2C1 1755426305 PXSVSHQRSMUZSD-KBPBESRZSA-N 319.405 -0.544 30 20 DBED C#CCCCC(=O)N1CC2(CCCN(CC(=O)NC(N)=O)C2)C1 1755455336 ISPOKQIRFNKUNS-UHFFFAOYSA-N 320.393 -0.091 30 20 DBED C#CCNC(=O)CN[C@H](C)CN(C)C(=O)[C@H](C)NC(=O)CC 1755589113 MSQGQMRICAVYHO-NEPJUHHUSA-N 310.398 -0.913 30 20 DBED C=CCN[C@@H](CO)CNC(=O)[C@H]1CNC(=O)c2ccccc21 1755630997 VJUSOTZLDCAXOK-RISCZKNCSA-N 303.362 -0.234 30 20 DBED C#CCNC(=O)CN[C@@H](CO)CNC(=O)c1cc(C)ccc1C 1755645534 SMKZMVMIKVQBOA-CQSZACIVSA-N 317.389 -0.267 30 20 DBED CC(C)C#CC(=O)NC[C@@H](C)N(C)C(=O)c1cn(C)c(=O)n1C 1756024812 VXZAPSFJGWALQJ-GFCCVEGCSA-N 320.393 -0.040 30 20 DBED C=CCCCC(=O)N1C[C@@H](NC(=O)CNC(C)=O)[C@H](OC)C1 1757113466 HKYMKQLBFUSXDI-CHWSQXEVSA-N 311.382 -0.179 30 20 DBED CO[C@@H]1CN(C(=O)CSCC#N)C[C@H]1NC(=O)c1cnn[nH]1 1757136897 XVGNBCAZESGPSP-NXEZZACHSA-N 324.366 -0.983 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H]1C[C@@H](CNC(=O)CNC(C)=O)C1 1757309600 DPTNRDULYSOKDA-WCFLWFBJSA-N 309.366 -0.828 30 20 DBED C#CCNC(=O)CNS(=O)(=O)c1ccc(C(=O)O)cc1F 1776135043 PKURKQLPIQPXMY-UHFFFAOYSA-N 314.294 -0.448 30 20 DBED C#CC(=O)N1CCO[C@]2(CCN(C(=O)Cc3cnn(C)c3)C2)C1 1784576661 TYYNWWXSXVJXMV-INIZCTEOSA-N 316.361 -0.574 30 20 DBED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)[C@H]1C[C@@H](O)C1)C2 1846195587 ILIODELCISYILR-PHIMTYICSA-N 306.318 -0.951 30 20 DBED CCNS(=O)(=O)[C@@H]1CCN([C@H](C)C(=O)N(C)CCC#N)C1 245540685 PPIOCHKNUFNCLS-VXGBXAGGSA-N 316.427 -0.239 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)c2cncc(O)c2)CC1 265066447 MZRYSIDFOSBHNK-UHFFFAOYSA-N 316.361 -0.316 30 20 DBED O=S1(=O)CCCN1CC/N=C(/O)N[C@@H]1C=C[C@H](CO)C1 330041046 CTGYRBGZNYGYPS-WDEREUQCSA-N 303.384 -0.538 30 20 DBED CC/N=C(/O)N1CCN(C(=O)CNc2ccc(C#N)cn2)CC1 330545665 KLVPKKKAQSEELZ-UHFFFAOYSA-N 316.365 0.443 30 20 DBED C[C@H](CN1CCCC1=O)NS(=O)(=O)N1CCO[C@@H](C#N)C1 336926949 XOXZKIPKGPFBQG-MNOVXSKESA-N 316.383 -0.944 30 20 DBED C=CCN(C(=O)CN(C)C(=O)COC)[C@H]1CCS(=O)(=O)C1 340095973 URTJRISCRQXMGA-NSHDSACASA-N 318.395 -0.707 30 20 DBED COCCN(CCC#N)S(=O)(=O)NCc1cnnn1C 341664728 IKBLKNVMDVNMGY-UHFFFAOYSA-N 302.360 -0.988 30 20 DBED COC(=O)[C@H]1CCCC[C@@H]1S(=O)(=O)NCC(=O)NCC#N 352533725 VGASKSQPWPHXOK-UWVGGRQHSA-N 317.367 -0.723 30 20 DBED CNC(=O)c1cccc(OCC(=O)N2CC(O)(CC#N)C2)c1 356580002 SSVYVJKEOOHOKM-UHFFFAOYSA-N 303.318 -0.088 30 20 DBED C=C[C@H](CO)NC(=O)c1cnc2c(c1C)c(=O)n(C)c(=O)n2C 356857813 HGBSLYCEDXTWJO-SECBINFHSA-N 318.333 -0.783 30 20 DBED COC(=O)Cn1cc(S(=O)(=O)Nc2n[nH]cc2C#N)cn1 358521742 AEQDSPDGLOFURP-UHFFFAOYSA-N 310.295 -0.548 30 20 DBED C=CCOC[C@H](NC(=O)[C@H]1CN2CCCN1CC2)C(=O)OC 360722944 QPHBYLKKTOMJFF-QWHCGFSZSA-N 311.382 -0.763 30 20 DBED CN(C)CCN(CCOCCO)S(=O)(=O)CC1(C#N)CC1 361574656 ZLNZTCBSFMKMQY-UHFFFAOYSA-N 319.427 -0.508 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC(N2CCC[C@H]2C(N)=O)CC1 378355507 OSLMYTQUEGSMHD-JSGCOSHPSA-N 306.410 -0.462 30 20 DBED CN1CCOC[C@H]1C(=O)N1CCN(c2ccc(C#N)cn2)CC1 408036727 VGIVMRDOFDPVGZ-AWEZNQCLSA-N 315.377 -0.068 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@](C)(O)C(C)C)C1=O 440209089 UJUCPBQEEGHTBV-AWEZNQCLSA-N 311.338 -0.514 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)c2cnnn2CC)CC1 491210120 QEGFVEDYIYJXMV-UHFFFAOYSA-N 318.381 -0.805 30 20 DBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(C)C[C@@H]1CN 566905025 XKMNMMGZGJQDDI-IHRRRGAJSA-N 324.425 -0.815 30 20 DBED CCOC[C@@H](NS(=O)(=O)N(CC)C[C@@H](C)C#N)C(=O)O 568001022 JGAGZQOJOYSYGT-VHSXEESVSA-N 307.372 -0.208 30 20 DBED N#Cc1cccc(CNC(=O)CN2CC[C@@H](CO)[C@@H](O)C2)c1 582204992 SJSCSNYMZUSLLX-GJZGRUSLSA-N 303.362 -0.150 30 20 DBED CC[C@@H](C)[C@@H](NC(=O)Cn1c(=O)[nH]cc(C#N)c1=O)C(=O)OC 583083792 GUCSVQNFOJAMGQ-LDYMZIIASA-N 322.321 -0.888 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H]1CCS(=O)(=O)[C@@H]1C 599457743 MQYZBOVEIPHTKE-GMTAPVOTSA-N 323.440 -0.122 30 20 DBED CC#CCNCc1cn([C@@H]2CCN(CCC(=O)OC)C2=O)nn1 603239751 YLUSRCGBPWMNMY-CYBMUJFWSA-N 319.365 -0.273 30 20 DBED C=C(C)COCCNC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1 612435772 HUNHFVDSHIJNAK-LLVKDONJSA-N 305.400 -0.389 30 20 DBED CCOC(=O)CN(C)C(=O)Cn1cc(C(=O)O)cc(C#N)c1=O 737137516 BRSRNDJQQSLIJF-UHFFFAOYSA-N 321.289 -0.560 30 20 DBED C#CCNC(=O)Cn1nnc(CN(C)C(=O)c2ccccc2)n1 743453384 WARXNNDKHJTGDO-UHFFFAOYSA-N 312.333 -0.305 30 20 DBED C=CCN(CC(=O)O)C(=O)c1cc(S(=O)(=O)N(C)C)c[nH]1 762019726 DFFXUPRFPRPGMX-UHFFFAOYSA-N 315.351 -0.022 30 20 DBED CCOC(=O)CON=C(C(=O)N1C[C@H](O)C[C@@H]1C)c1cc[nH]n1 772636797 VYNVHVHHAAOSOQ-VHSXEESVSA-N 324.337 -0.325 30 20 DBED C#C[C@@H](NC(=O)C(=O)Nc1cncnc1N(C)C)[C@@H]1CCCO1 773793954 HIZAPTORMTZWCW-PWSUYJOCSA-N 317.349 -0.222 30 20 DBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CN(C)C(=O)O 826086952 FLOKEJDAVAICLA-SNVBAGLBSA-N 318.337 -0.005 30 20 DBED C=C[C@H](O)C(=O)NC[C@H](C)N(CC(F)F)C(=O)[C@H](O)C=C 834459380 ZNRCDPPENDIDPQ-LPEHRKFASA-N 306.309 -0.321 30 20 DBED N#C[C@@H]1CNC[C@@H]1NC(=O)CCCS(=O)(=O)N1CCCC1 834495661 XLTOJAGYJQPSOG-NEPJUHHUSA-N 314.411 -0.580 30 20 DBED C#C[C@@H](NC(=O)C(=O)NCCC1CCNCC1)[C@@H]1CCCO1 846328423 HYXKJMCQKYUDFS-KGLIPLIRSA-N 307.394 -0.211 30 20 DBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1CCOC1=O 849212799 PNJLOILEGIBDNU-VIFPVBQESA-N 323.330 -0.843 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC1 874342709 HJBCJJHDOWFOME-CHWSQXEVSA-N 315.377 -0.593 30 20 DBED N#Cc1ccc(N2CCN(C(=O)[C@@H]3CCO[C@@H]3CN)CC2)cn1 877296972 MSMUBRBWSFLRSV-HUUCEWRRSA-N 315.377 -0.034 30 20 DBED C=CCCC[C@@H](N)C(=O)N1CCN(C(=O)C(=O)NC(C)C)CC1 912157466 YYSYNNZDOYEXET-CYBMUJFWSA-N 324.425 -0.135 30 20 DBED CN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CCN(C(=O)c2cnn[nH]2)C1 938830915 KKTZTLZVPXLHNC-SNVBAGLBSA-N 313.321 -0.009 30 20 DBED CO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1NC(=O)c1ccnnc1C 943807597 NHFDZUBMSHSFLJ-ZWKOPEQDSA-N 317.349 -0.100 30 20 DBED C#CCCN1CCOC2(CCN(C(=O)[C@@H]3CCNC3=O)CC2)C1 949433234 JUQMYRMJULVKII-CQSZACIVSA-N 319.405 -0.161 30 20 DBED Cn1cc(C(=O)NC[C@@H]2CCN2C(=O)c2c[nH]c(C#N)c2)nn1 949718374 LGMDHKNRUBPXJQ-NSHDSACASA-N 313.321 -0.341 30 20 DBED O=C(NC[C@@H]1CCN1C(=O)C#CC1CC1)c1cnnc(O)c1 950527125 NITQFPOBWCTFNI-LBPRGKRZSA-N 300.318 -0.074 30 20 DBED CC#CCN1C[C@H](CNC(=O)c2cc(OCC)n[nH]2)[C@@H](O)C1 958167380 KYKRJTVJRKVKQV-AAEUAGOBSA-N 306.366 -0.146 30 20 DBED C#CCCN1C[C@H](O)[C@H](CNC(=O)c2cnc3cccnn23)C1 958466827 BFCTWUBICCVSDX-OCCSQVGLSA-N 313.361 -0.225 30 20 DBED N#CCN1C[C@H](O)[C@H](CNC(=O)c2cc(C(F)(F)F)n[nH]2)C1 958486131 WRVIIOPDLWDFSS-APPZFPTMSA-N 317.271 -0.025 30 20 DBED CN(C(=O)c1cncnc1)[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 958829763 PHXWOCKNZDSPAK-KBPBESRZSA-N 314.345 -0.466 30 20 DBED C#Cc1ccc(C(=O)N[C@@H](C)[C@H]2CCN(C(=O)C(N)=O)C2)nc1 959269040 RZDIMWBFMPKNNR-JQWIXIFHSA-N 314.345 -0.485 30 20 DBED C=CCN1C[C@H]2C(NC(=O)CN3CCCCS3(=O)=O)[C@@H]2C1 961155260 ZGMSHLPGLVDESP-VXGBXAGGSA-N 313.423 -0.356 30 20 DBED C[C@H]1CCN(CC(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2O)C1 970643585 OJFPDTIYMREEPN-CFVMTHIKSA-N 319.405 -0.571 30 20 DBED C=CCN1CCO[C@]2(CCN(C(=O)[C@@H](C)S(C)(=O)=O)C2)C1 972434977 KAAIVYWMBAZGTF-TZMCWYRMSA-N 316.423 -0.091 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCN(C(=O)CC(N)=O)C1 975550741 WIPNKFBTEIKHTO-XQQFMLRXSA-N 323.393 -0.192 30 20 DBED CN1C[C@@H](C(=O)N2C[C@]3(C)CN(CC#N)C[C@]3(C)C2)NC1=O 982429153 OEPOZGZWWDHBEX-TUKIKUTGSA-N 305.382 -0.296 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H](NC(=O)[C@H]2CCC(=O)N2C)C1 989266771 BKZAUEODVBYFBY-SDDRHHMPSA-N 306.366 -0.126 30 20 DBED Cn1cc(C(=O)N2CC(NC(=O)c3cc(C#N)c[nH]3)C2)nc1O 990708489 JGCCJKLDBHSPAA-UHFFFAOYSA-N 314.305 -0.420 30 20 DBED C=CCn1cc(C(=O)NC2CN(C(=O)c3[nH]nnc3C)C2)nn1 991690377 XUOZVDVGKNBSBR-UHFFFAOYSA-N 316.325 -0.855 30 20 DBED C=C1CCC(C(=O)N2CC[C@@H](NC(=O)C(N)=O)[C@H](O)C2)CC1 991722136 ADXWQUZWKNMVOV-VXGBXAGGSA-N 309.366 -0.704 30 20 DBED CN1C(=O)CN(CC(=O)N[C@]23CCC[C@H]2N(CC#N)CC3)C1=O 992397733 PBFFNLWUOXUMIM-ABAIWWIYSA-N 319.365 -0.483 30 20 DBED C=C1CC(C)(C(=O)N2CC(NC(=O)C[C@@H]3CC(=O)NC3=O)C2)C1 995306669 WWLJIZWFQBTNBM-SNVBAGLBSA-N 319.361 -0.278 30 20 DBED C=CCN1CC[C@@H](N[C@H]2CN(C(=O)C(N)=O)CC2(C)C)C1=O 996224396 BUPLUIKVMHEUDH-MNOVXSKESA-N 308.382 -0.915 30 20 DBED C[C@@H]1OCCO[C@@H]1C(=O)NCC1CN(C(=O)C#CC2CC2)C1 1002834602 GSVXLMIANPHQBQ-NHYWBVRUSA-N 306.362 -0.222 30 20 DBED CCN1CCOC[C@H]1C(=O)NCC1CN(C(=O)C#CC2CC2)C1 1002972793 QFAJLURWBPDAHM-HNNXBMFYSA-N 319.405 -0.305 30 20 DBED C#Cc1cncc(C(=O)N2C[C@@H](NC(=O)C(N)=O)C(C)(C)C2)c1 1008531030 GPGVTEIIGQYJAC-GFCCVEGCSA-N 314.345 -0.485 30 20 DBED C[C@@H](C#N)C(=O)N1CCCC2(C1)CN(C(=O)[C@H]1COC(=O)N1)C2 1010637327 SWLYRHUSJZVBLT-WDEREUQCSA-N 320.349 -0.295 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2ccc(=O)n(CCOC)n2)C1 1015178471 RCVZGEJTMWITJB-GFCCVEGCSA-N 304.350 -0.673 30 20 DBED Cn1cc(C(=O)N[C@H]2CC23CCN(CC#N)CC3)ncc1=O 1016740345 GQHVANRPECOSNS-LBPRGKRZSA-N 301.350 -0.112 30 20 DBED C[C@@H]1CC[C@@H](NC(=O)C(N)=O)CN1C(=O)c1c[nH]c(C#N)c1 1018373058 RSHINGPUVUZTOQ-PSASIEDQSA-N 303.322 -0.519 30 20 DBED N#Cc1ccc(CN[C@H]2C[C@H](NC(=O)Cn3cnnn3)C2)cc1 1019975643 GHUXWJZYZPGHRU-HDJSIYSDSA-N 311.349 -0.018 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cccc(O)n2)C1 1023295039 WFVDILLIBKYQGE-FBIMIBRVSA-N 304.306 -0.752 30 20 DBED CC#CCN1CCC[C@@H]1CNC(=O)[C@@H]1Cc2cncn2C(=O)N1 1028043246 JWCHZMKBAZQWEI-OCCSQVGLSA-N 315.377 -0.031 30 20 DBED CC#CCN1CC[C@@H]2CN(C(=O)C3CC(=O)NC(=O)C3)CC[C@@H]21 1036842353 NUQXTDRUNFGEGC-OCCSQVGLSA-N 317.389 -0.015 30 20 DBED Cc1nn(CC(=O)N2CC[C@@H]3[C@H](CCN3CC#N)C2)c(=O)n1C 1036882543 NJPMSKZBAHAWQV-CHWSQXEVSA-N 318.381 -0.663 30 20 DBED C=C(Cl)CN1CC[C@H]1CNC(=O)[C@H]1CCS(=O)(=O)N1 1039022932 GOQYVTWLOKXHKS-VHSXEESVSA-N 307.803 -0.379 30 20 DBED Cc1ncc(C(=O)N2CC[C@](O)(CNC(=O)C#CC3CC3)C2)[nH]1 1039677410 HOZFLCREXQHCPC-INIZCTEOSA-N 316.361 -0.175 30 20 DBED CN1CCC[C@H]1C(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1O 1040943465 BDXRQPGJZRWIIC-FRRDWIJNSA-N 316.365 -0.892 30 20 DBED N#CCN1CC[C@]2(CCN(C(=O)[C@@H]3CCS(=O)(=O)N3)C2)C1 1041836030 NYEGKCIUTRAJFT-AAEUAGOBSA-N 312.395 -0.874 30 20 DBED C#CCN1CC[C@]2(CCN(C(=O)C[C@H]3CC(=O)NC3=O)C2)C1 1041861839 URARBAOCFXXMKP-WBMJQRKESA-N 303.362 -0.403 30 20 DBED C=CCCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2cnon2)C1 1041874892 WXJZOVUVLZGIQY-JTQLQIEISA-N 324.337 -0.646 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(O)CN(C(=O)Cc2cnoc2)C1 1042813765 FBPSIOXIYAIUBA-AWEZNQCLSA-N 323.349 -0.766 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)[C@@H]2CC2(F)F)C1 1042920350 PDVKVVKZWHYRCN-UWVGGRQHSA-N 316.304 -0.631 30 20 DBED Cn1ccc(CC(=O)N2CC(O)(CNC(=O)C#CC3CC3)C2)n1 1042958330 JYJRACCYJBAVDE-UHFFFAOYSA-N 316.361 -0.935 30 20 DBED C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)C[C@H]1N=c1cc[nH]c(C#N)n1 1043264209 HOJLBUWWWWJCRU-OUAUKWLOSA-N 314.349 -0.692 30 20 DBED N#Cc1cccnc1N1C[C@H](O)[C@H](NC(=O)[C@H]2CCOC2)C1 1043863544 CBUWXKVBUHSJJY-XQQFMLRXSA-N 302.334 -0.345 30 20 DBED C[C@H]1C[C@H](NCc2nc(=O)n(C)[nH]2)CCN1C(=O)C#CC1CC1 1044603420 QKIWIGICBSMDDP-WCQYABFASA-N 317.393 -0.009 30 20 DBED C=CCCCC(=O)NCC1(O)CN(C(=O)C[C@@H]2CCNC2=O)C1 1045459020 RGIJJXFCBPHSPD-LBPRGKRZSA-N 323.393 -0.442 30 20 DBED CC(=O)N1CCO[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)N3CC#N)C1 1045884781 RJWGKDIWOYTKCX-ILXRZTDVSA-N 320.393 -0.177 30 20 DBED C=C(C)CN1CC[C@@H](N2CCN(C(=O)[C@@H]3CNC(=O)N3)CC2)C1 1046059115 ZJBKUCAVMDXTFH-KGLIPLIRSA-N 321.425 -0.538 30 20 DBED CC(C)Oc1cnc(C(=O)N(C)[C@H]2CN(CC#N)C[C@@H]2O)cn1 1047381071 DMRFQDJLXADBTL-STQMWFEESA-N 319.365 -0.096 30 20 DBED C=C(C)CN1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(=O)n(CC)n2)C1 1047569751 JREYFYNZBRAKRO-KBPBESRZSA-N 320.393 -0.044 30 20 DBED C#CCCCC(=O)N(C)[C@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1O 1048757388 BSZCTLHWJHCPLA-QWRGUYRKSA-N 305.338 -0.748 30 20 DBED N#CCN1C[C@H]2CN(C(=O)c3cnn4c(=O)cc[nH]c34)C[C@H]2C1 1049103020 COXUHCPAEIECBC-PHIMTYICSA-N 312.333 -0.450 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)c2cn(C)cn2)C[C@@H]1O 1049389632 ZJWDNGNAKMKRTB-USWWRNFRSA-N 305.338 -0.777 30 20 DBED C=C(C)CCN1CCOC[C@H]1CNC(=O)[C@H]1CN(C)C(=O)N1 1051063032 DBDRLEYZRQIOHC-CHWSQXEVSA-N 310.398 -0.207 30 20 DBED N#Cc1ccc(CNC[C@@H]2CN(C(=O)C(N)=O)CCO2)cc1F 1051794439 NDUARYGJHJLHGD-GFCCVEGCSA-N 320.324 -0.500 30 20 DBED N#Cc1cc(C(=O)N2CC[C@H](N3CCN(CCO)CC3)C2)c[nH]1 1052012381 GSOOJBGQINGCJD-HNNXBMFYSA-N 317.393 -0.289 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1C 1052971491 BPPZTAOVXNIOJH-VXGBXAGGSA-N 321.381 -0.158 30 20 DBED C#CCCN1CC2(CC[C@@H](CNC(=O)[C@@H]3CCC(=O)N3C)O2)C1 1053647188 OOEISSJQIJKNNN-KBPBESRZSA-N 319.405 -0.020 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)c3cnc4n3CCOC4)CO2)C1 1053835708 PIDXWTWHMLECNS-LLVKDONJSA-N 317.349 -0.490 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)[C@@]3(C)CCNC(=O)C3)CO2)C1 1053843064 DKMAVJHNKGRKSV-DOMZBBRYSA-N 305.378 -0.505 30 20 DBED C=CCn1cc(C(=O)NC2CCN(CCNC(C)=O)CC2)nn1 1055483772 PJSALJIYBKIJAI-UHFFFAOYSA-N 320.397 -0.206 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@](CO)(NC(=O)c2ccn(C)n2)C1 1055955068 YJZUOKDOJQKQLG-IAQYHMDHSA-N 319.365 -0.337 30 20 DBED N#Cc1cnc(N2C[C@H]3C(NC(=O)c4nccnc4N)[C@@H]3C2)cn1 1056153200 QQEBPPZZDJMHNA-NXEZZACHSA-N 322.332 -0.415 30 20 DBED CN1C[C@H](C(=O)N2CC[C@@H](Nc3ccc(C#N)nn3)C2)NC1=O 1056745049 NNLDQRQISJKCIL-GHMZBOCLSA-N 315.337 -0.615 30 20 DBED N#Cc1cncc(N[C@@H]2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)n1 1056779546 LZGSMHZZYKJILE-IEBDPFPHSA-N 300.322 -0.518 30 20 DBED C=CCCCC(=O)NCCN(CCO)C(=O)[C@H](C)NC(C)=O 1056887475 OTSQXKUJIMOJBN-LBPRGKRZSA-N 313.398 -0.196 30 20 DBED O=C(C#CC1CC1)NCCN(CCO)C(=O)Cc1cccnc1 1057349378 CMRWBLPDZDKKQZ-UHFFFAOYSA-N 315.373 -0.025 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1CCCN(C(=O)[C@H]2COC(=O)N2)C1 1057630921 GWHHLHJWUJZORV-WCQYABFASA-N 315.333 -0.114 30 20 DBED Cn1nncc1C(=O)N1CCC[C@H](N=c2cc[nH]c(C#N)n2)C1 1057634992 HCBYIAMPJBMOSZ-JTQLQIEISA-N 312.337 -0.385 30 20 DBED C=CCCOCC(=O)NCCN(CCO)C(=O)c1ccn(C)n1 1057639742 MWAZTMOJEPJLLX-UHFFFAOYSA-N 324.381 -0.437 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)c1ccnc(O)c1 1058652971 JFBHYQXHBGGKEL-JTQLQIEISA-N 306.322 -0.502 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)c1c[nH]c(C#N)c1 1058653144 NLMRPBNZJYTFCT-SNVBAGLBSA-N 303.322 -0.403 30 20 DBED Cn1ccc(CC(=O)N[C@H]2C[C@H](N=c3cc[nH]c(C#N)n3)C2)n1 1059217162 YUMNGFZKSNSZSD-HAQNSBGRSA-N 311.349 -0.195 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCOC[C@H]1CNC(=O)c1ccon1 1061349281 BWQBOJUNGPVHRP-IAQYHMDHSA-N 323.349 -0.041 30 20 DBED C=CCCC(=O)NC[C@H]1COCCN1C(=O)[C@H](C)NC(C)=O 1061395676 AFUMRDLIBPWXFF-AAEUAGOBSA-N 311.382 -0.179 30 20 DBED C#CCOCCC(=O)NC[C@H]1CCCCN1C(=O)CC(N)=O 1062082395 AMAVOIISGCXZBN-GFCCVEGCSA-N 309.366 -0.601 30 20 DBED C=CCCOCC(=O)NC1(CNC(=O)[C@@H]2CCNC2=O)CCC1 1063912229 CPUWFLORONUHOK-GFCCVEGCSA-N 323.393 -0.130 30 20 DBED C#CCCCCC(=O)N1CCO[C@@H](CNC(=O)c2nc[nH]n2)C1 1065063867 ODKBRWIHBSEHIX-LBPRGKRZSA-N 319.365 -0.045 30 20 DBED N#Cc1cnc(NCC2CC(NC(=O)[C@H]3CNC(=O)N3)C2)cn1 1067883455 OIWXCTAKRVDUOD-NWGYLPEXSA-N 315.337 -0.664 30 20 DBED Cn1ncc(C(=O)NC[C@H]2[C@@H]3CN(c4cnc(C#N)cn4)C[C@H]23)n1 1068178513 ZMCZXRCMDNAEKJ-CNDDSTCGSA-N 324.348 -0.411 30 20 DBED N#Cc1cncc(N2C[C@H]3[C@H](CNC(=O)c4nc[nH]n4)[C@H]3C2)n1 1068181065 VYHUMJADJLHHJH-RTCCRHLQSA-N 310.321 -0.421 30 20 DBED C=CCCCC(=O)N1CC2(CN(C(=O)CNC(C)=O)CCO2)C1 1068280436 SCGRYKAUGLWADO-UHFFFAOYSA-N 323.393 -0.081 30 20 DBED C[C@@H]1[C@@H](Nc2nccnc2C#N)CCN1C(=O)CS(C)(=O)=O 1068775330 WFIHRJPHEJLYCL-ZJUUUORDSA-N 323.378 -0.206 30 20 DBED C=C(C)CCC(=O)N1CC2(C[C@H](NC(=O)CC(=O)NC)CO2)C1 1068831917 UBFQLFNPZNCJOF-LBPRGKRZSA-N 323.393 -0.035 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCC(CC)(NC(=O)C(N)=O)CC1 1069437499 CQDZPFXWGZSLLL-NSHDSACASA-N 311.382 -0.050 30 20 DBED Cn1cncc1[C@@H]1CN(C(=O)Cn2cccn2)C[C@H]1NCC#N 1070620939 AHENHZXDOJVIOH-CHWSQXEVSA-N 313.365 -0.276 30 20 DBED N#CCN1C[C@H]2C[C@@H]3CN(C(=O)C[C@@H]4CCNC4=O)C[C@@]3(C1)O2 1070807987 OOXAFAVLMCMHAB-VPWBDBDCSA-N 318.377 -0.662 30 20 DBED C=CCCN1C[C@@H](NC(=O)CN2CCNC(=O)C2)CC[C@@H]1C 1071739687 XCPIVCSOEQNSSA-KBPBESRZSA-N 308.426 -0.037 30 20 DBED C[C@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1NC(=O)Cn1cnnn1 1072059504 CWICTJKSWNXETE-NWDGAFQWSA-N 318.381 -0.314 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)c2nc(OC)cc(OC)n2)C1 1077234466 LERYIRNNZJIVLP-GHMZBOCLSA-N 322.365 -0.155 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)c2cnc3c(c2)ncn3C)C1 1077502077 YGVGCTKHYBLIBN-CHWSQXEVSA-N 301.350 -0.071 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)Cc2cn(C)nc2Cl)C1 1077673112 PNPFACDIKXPXPP-VXGBXAGGSA-N 310.785 -0.199 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3nn[nH]c3C2)C1 1077999529 OMUGFIXUXXSWPZ-ZLKJLUDKSA-N 303.366 -0.906 30 20 DBED C=CCCCC(=O)N[C@@H](C)CCNC(=O)CN1C(=O)CNC1=O 1078582167 YGVXYXDJKZAAFE-NSHDSACASA-N 324.381 -0.095 30 20 DBED CN1CCN(CC(=O)N[C@@H]2C[C@H](NCC#N)C23CCC3)CC1=O 1078663730 SFHIFOGGFOACEN-QWHCGFSZSA-N 319.409 -0.699 30 20 DBED C#CCOCCC(=O)N1CC(N(CC)C(=O)[C@H]2COC(=O)N2)C1 1079702195 XVNCOJFHLIIMPV-GFCCVEGCSA-N 323.349 -0.806 30 20 DBED C=C(C)CCC(=O)NC1(CO)CCN(C(=O)CC(N)=O)CC1 1080880188 STJSZLZWWKIHIO-UHFFFAOYSA-N 311.382 -0.312 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cnccn2)C1 1081205104 OWNSFTSZTUHWEJ-YPMHNXCESA-N 304.350 -0.008 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)COCCC)C[C@@H]1O 1081344879 WEGIQTTWXSTKLE-STQMWFEESA-N 314.382 -0.449 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)CCOC)C[C@@H]1O 1081346614 KKLZAOVGCGWQKI-NEPJUHHUSA-N 300.355 -0.839 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1O 1081442905 ZUDYSJJHCCJIFJ-VXGBXAGGSA-N 319.365 -0.832 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C#CC(C)C)C1 1081462753 FDMUUKZOJSPVNW-UONOGXRCSA-N 308.378 -0.216 30 20 DBED C=CCC(C)(C)C(=O)NC[C@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1O 1081491863 SDIXHGPVXRAIFE-QWRGUYRKSA-N 321.381 -0.044 30 20 DBED C=CCCCC(=O)N1C[C@H](CNC(=O)c2cnn[nH]2)[C@@H](O)C1 1081590013 LKFBOKXKUUXSRS-JQWIXIFHSA-N 307.354 -0.290 30 20 DBED C=CCN1C[C@@H](NC(=O)CN2C(=O)CC(C)(C)C2=O)[C@H](OC)C1 1081668979 ZNXKYSTWOOMKNM-VXGBXAGGSA-N 323.393 -0.227 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@@H]1CCC(=O)N1C(C)C 1082061455 WQXZMDFEZIFSPM-FRRDWIJNSA-N 308.382 -0.275 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2cn([C@@H](C)COC)nc2C)C1 1083460332 BMTAVYCEKNCVTM-GLQYFDAESA-N 320.393 -0.193 30 20 DBED C[C@H](C[C@@H](C)Nc1cncc(C#N)n1)NC(=O)Cn1cnnn1 1089216494 XHKZTLWLHGZMNB-NXEZZACHSA-N 315.341 -0.270 30 20 DBED CS[C@H](C)C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1O 1090382551 JOZMDPRLXNPKMR-FBIMIBRVSA-N 307.379 -0.235 30 20 DBED CS[C@@H](C)C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1O 1090386348 VYOXOVDQAPOCOA-IVZWLZJFSA-N 307.379 -0.235 30 20 DBED Cc1nc(N(C)C)nc(N2C[C@@H](O)[C@H](NC(=O)[C@H](C)C#N)C2)n1 1090404181 JRXJWPNTYYNRAO-FBIMIBRVSA-N 319.369 -0.929 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2ccc(C(N)=O)[nH]2)[C@H](O)C1 1090572387 FVZLBAMDYJFKTK-ZWNOBZJWSA-N 304.350 -0.698 30 20 DBED CC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1C#N 1092935222 NITGQCNUPXCHCP-WZRBSPASSA-N 314.349 -0.290 30 20 DBED CC(=O)N(C)CC(=O)NC1[C@H]2CN(c3ccc(C#N)nn3)C[C@H]12 1093218634 WQTVQKPSQKVGCY-RYUDHWBXSA-N 314.349 -0.623 30 20 DBED CCc1nc(C#N)cc(N2C[C@H]3C(NC(=O)CC(N)=O)[C@@H]3C2)n1 1093228420 JCXNEENACWAMNZ-NXEZZACHSA-N 314.349 -0.663 30 20 DBED CN1C(=O)CCC[C@@H]1C(=O)NCCCN=c1cc[nH]c(C#N)n1 1094526529 LXXVDKGBKHYNBY-LLVKDONJSA-N 316.365 -0.301 30 20 DBED C[C@H](C#N)C(=O)N1CCN(CCCF)[C@H]2CS(=O)(=O)C[C@H]21 1094614485 HCWZOIJTZGVZNQ-GRYCIOLGSA-N 317.386 -0.185 30 20 DBED Cc1cc(C(=O)N[C@@H]2CC(=O)N(C3CN(CC#N)C3)C2)on1 1094700638 FQKUPYVFRIXFQQ-SNVBAGLBSA-N 303.322 -0.479 30 20 DBED CC(=O)N[C@@H](C)C(=O)N1CC[C@@H](N(C)c2cnc(C#N)cn2)C1 1095089986 IOPFGIXOVQLKGN-GXFFZTMASA-N 316.365 -0.090 30 20 DBED CN(CCCNC(=O)C1CS(=O)(=O)C1)c1ccc(C#N)cn1 1095649544 BUYMDXHQSGPVHE-UHFFFAOYSA-N 322.390 -0.060 30 20 DBED CN(CCCNC(=O)[C@@]1(C)CNC(=O)C1)c1cncc(C#N)n1 1095681507 CNYQFIVJMXJJCW-OAHLLOKOSA-N 316.365 -0.183 30 20 DBED CN(CCCNC(=O)[C@@]1(C)CCNC1=O)c1ccnc(C#N)n1 1095735872 CJHMYONUKLAPNX-OAHLLOKOSA-N 316.365 -0.183 30 20 DBED C[C@@H](CC(=O)N1CC[C@H](Nc2cncc(C#N)n2)C1)NC(N)=O 1096961408 WMOVPRXRHGNBMG-UWVGGRQHSA-N 317.353 -0.192 30 20 DBED CN(C)C(=O)CC(=O)N1CC[C@H](Nc2cnc(C#N)cn2)C1 1096979847 HBBXNTIWZWBXRF-JTQLQIEISA-N 302.338 -0.161 30 20 DBED CS(=O)(=O)CCC(=O)N1CCC(N(CC#N)CCO)CC1 1098408150 GINZMZBKEQKGEP-UHFFFAOYSA-N 317.411 -0.770 30 20 DBED NC(=O)CN1C[C@H](NC(=O)C#CC2CC2)CC2(CCOCC2)C1 1099580900 FWUYPGSBCQWSOC-CQSZACIVSA-N 319.405 -0.128 30 20 DBED Cc1cc(C#N)nc(N[C@@H](C)CCNC(=O)c2nnn(C)n2)n1 1099619148 NUIDDYSDJAMSDX-QMMMGPOBSA-N 315.341 -0.199 30 20 DBED C[C@@H](CCNC(=O)CCc1cnn[nH]1)N=c1cc[nH]c(C#N)n1 1099710733 FPADNUPVOCFEKU-JTQLQIEISA-N 314.353 -0.172 30 20 DBED C#CCN1CC[C@H](NC(=O)COCc2nnc(C)s2)[C@@H](O)C1 1099905829 FICUVKKQUCNWBI-RYUDHWBXSA-N 324.406 -0.452 30 20 DBED C#CCN1CC[C@H](NC(=O)CNC(=O)c2ccccc2)[C@H](O)C1 1100083443 SIRSCMHWJRNSDZ-LSDHHAIUSA-N 315.373 -0.399 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1CC(NCCN2CCNC2=O)C1 1100285321 FLJWSRRSFRGXKM-ZUEPYMLJSA-N 324.425 -0.177 30 20 DBED CCN(CCNC(=O)CCn1cnnn1)c1ccc(C#N)nn1 1100600388 PSZUXVBTMJORIM-UHFFFAOYSA-N 315.341 -0.632 30 20 DBED CN(CCNc1nccnc1C#N)C(=O)[C@@H]1CCS(=O)(=O)C1 1101849144 XDOPEMRXCKYCPE-SNVBAGLBSA-N 323.378 -0.347 30 20 DBED C[C@@H](CC(N)=O)C(=O)NC[C@@H](C)CN=c1cc[nH]c(C#N)n1 1104155527 GCYAEWIPMVVRME-UWVGGRQHSA-N 304.354 -0.554 30 20 DBED CCOCC(=O)NC[C@@H]1CN(c2nccnc2C#N)CCO1 1104280642 PVQZSBNAVOGBAW-LLVKDONJSA-N 305.338 -0.294 30 20 DBED CN1CCO[C@@H](C(=O)N(C)CCN(C)c2cncc(C#N)n2)C1 1105355305 KHDDXSXQJZXYPN-CYBMUJFWSA-N 318.381 -0.427 30 20 DBED C#CCCN1CC(OC2CCN(C(=O)CNC(C)=O)CC2)C1 1105684861 JVMICBKRHNBNNR-UHFFFAOYSA-N 307.394 -0.162 30 20 DBED N#Cc1nc(=NC[C@H](O)CNC(=O)C2CCOCC2)cc[nH]1 1105700384 FHMHWGBJYFVEFH-NSHDSACASA-N 305.338 -0.914 30 20 DBED Cc1ccc(C(=O)NC[C@@H](O)CN=c2cc[nH]c(C#N)n2)cn1 1105754104 GDCPPYGDULOBBY-LBPRGKRZSA-N 312.333 -0.324 30 20 DBED Cn1ccc(CC(=O)NC[C@@H](O)CNc2ccc(C#N)nc2)n1 1105818948 RSIWWDNTQDRWDZ-AWEZNQCLSA-N 314.349 -0.182 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)Cn2ccnc2)cn1 1105882622 JGHVIOIBLOPGIP-ZDUSSCGKSA-N 300.322 -0.261 30 20 DBED CN1CCCC[C@H]1C(=O)NC[C@H](O)CNc1ccc(C#N)nn1 1106060290 RSXJQRAGFUXJHS-OLZOCXBDSA-N 318.381 -0.278 30 20 DBED C[C@@H](CCNc1cnc(C#N)cn1)NC(=O)[C@@H]1COCCN1C 1106277687 JYSATZRTQWAVTB-AAEUAGOBSA-N 318.381 -0.014 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@H]1C 1106280020 IJXVMFILIJKYBP-CHWSQXEVSA-N 309.410 -0.168 30 20 DBED C[C@@H]1CN(C(=O)CCC(=O)N2CCOCC2)C[C@H]1CNCC#N 1106956376 ZBIZOHQMPGWAQR-ZIAGYGMSSA-N 322.409 -0.167 30 20 DBED CC(=O)N[C@@H](C)C(=O)NC/C=C\CN=c1cc[nH]c(C#N)n1 1107021669 XGQIPNSTTNMNLJ-XOULXFPDSA-N 302.338 -0.621 30 20 DBED C[C@@H](CC(=O)NC/C=C/CNc1cnc(C#N)cn1)NC(N)=O 1107351381 RIVQDVMXDKBPQC-PBKGFPTLSA-N 317.353 -0.121 30 20 DBED C[C@@]1(CNC(=O)[C@H]2CCS(=O)(=O)C2)CN(CC#N)CCO1 1108057747 KGWZVYMMVMRDDC-WCQYABFASA-N 315.395 -0.848 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](C)NC(=O)[C@@H]2CNC(=O)N2)n1 1108075666 FVZYQHDDBAQOTL-SCZZXKLOSA-N 303.326 -0.745 30 20 DBED Cc1cc(=NC[C@H](C)NC(=O)[C@H]2COC(=O)N2)c(C#N)c[nH]1 1108359683 FQECMQQBTFEEDW-JOYOIKCWSA-N 303.322 -0.291 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@H]1CC(=O)N(C2CN(CCF)C2)C1 1108538772 NRJDRIXQZKFRNZ-NHYWBVRUSA-N 313.373 -0.316 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)[C@@H](C)CC(N)=O)CC2=O)C1 1108559514 BWVKZEJPFREXNZ-WDEREUQCSA-N 308.382 -0.915 30 20 DBED CC[C@H](NC(C)=O)C(=O)N[C@@H](C)CN=c1cc[nH]c(C#N)n1 1108705677 QXBIKZIVXGRPGO-ONGXEEELSA-N 304.354 -0.399 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)[C@H](C)S(C)(=O)=O 1108773538 BZNFZVULUUSOAH-IUCAKERBSA-N 311.367 -0.880 30 20 DBED C[C@H](CN(C)c1ccc(C#N)cn1)NC(=O)c1nnn(C)n1 1109181213 CYWNHDUZDZZWQZ-SECBINFHSA-N 300.326 -0.269 30 20 DBED C[C@H](CN(C)c1ccnc(C#N)n1)NC(=O)[C@@H]1CCNC1=O 1109206155 SZVRMGRZVXDMGR-NXEZZACHSA-N 302.338 -0.575 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H]1COC(=O)N1 1109218629 PELUHOACYWDKLM-XQHKEYJVSA-N 307.350 -0.534 30 20 DBED CN(CCCNc1nccnc1C#N)C(=O)[C@H]1C[C@H]1C(N)=O 1109624403 KETYDFASKYGKFO-ZJUUUORDSA-N 302.338 -0.270 30 20 DBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H]1[C@H]2COC[C@H]21 1110928879 JSUIUSKYBDQVRA-JWOJSXKRSA-N 318.377 -0.760 30 20 DBED CO[C@@H](C)CC(=O)N(C)[C@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1111175529 JPZKEDWXNLWEKK-DRZSPHRISA-N 319.365 -0.219 30 20 DBED N#Cc1cncc(NCCN(CCO)C(=O)Cn2ccnc2)n1 1111486966 OMTBYIFCVIWGAT-UHFFFAOYSA-N 315.337 -0.522 30 20 DBED N#Cc1ccc(NC2(CNC(=O)[C@H]3COC(=O)N3)CCC2)nn1 1111803645 KSYYIBIWAJOEKX-SNVBAGLBSA-N 316.321 -0.093 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1112701845 LDODLROZWUZLHZ-AAEUAGOBSA-N 317.349 -0.536 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)c2cc(OC)no2)CC1 1112782438 UAESMLIZGWUSIY-NSHDSACASA-N 320.349 -0.421 30 20 DBED C=CCCOCC(=O)N1CCN(CCN2C(=O)CCC2=O)CC1 1113710632 RYYDMBAAXKRUDO-UHFFFAOYSA-N 323.393 -0.128 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)CCn3cccn3)[C@H]2C1 1113875707 DURWEMAJVWJDGK-FOLVSLTJSA-N 302.378 -0.031 30 20 DBED Cn1ncnc1CN1C[C@@H]2C(NC(=O)CSCC#N)[C@H]2C1 1113891047 LMVMQWYQIGRIPK-UWVGGRQHSA-N 306.395 -0.382 30 20 DBED COCC[C@H](C)C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1115266662 XQVUCLKKRZBPQA-CIQGVGRVSA-N 308.382 -0.655 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)CN(C)C(C)C)[C@@H]2C1 1115301870 JETLYVCKNWMXQR-CHWSQXEVSA-N 308.426 -0.325 30 20 DBED C#CCNC(=O)CC(=O)NCC1(NCC(=O)NC)CCCCC1 1115491599 JQYBOCBMOQJPML-UHFFFAOYSA-N 322.409 -0.719 30 20 DBED C=C[C@@H](COC)NC(=O)NC1CCN(S(C)(=O)=O)CC1 1116617777 WMMDZKHPQANTRV-JTQLQIEISA-N 305.400 -0.089 30 20 DBED CS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)NCCCCC#N)C1 1117266288 LBRMPRRPYUTLFM-NSHDSACASA-N 315.395 -0.168 30 20 DBED N#CCNC(=O)CNC(=O)N1CCC([C@@H](O)C(F)(F)F)CC1 1117432074 QXXPYGVPDOPKKW-SNVBAGLBSA-N 322.287 -0.029 30 20 DBED C#C[C@@H](NC(=O)C(=O)NCCNC(=O)C(C)C)[C@@H]1CCCO1 1117527650 BQTCFWJXFRWJAP-NEPJUHHUSA-N 309.366 -0.828 30 20 DBED N#Cc1ccc(S(=O)(=O)CCNCC2(CO)COC2)nc1 1118241804 OKFZOJXFNKMMPH-UHFFFAOYSA-N 311.363 -0.675 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CC[C@@H](CF)C1 1119557907 HYCTVDSMUIQDQN-JTQLQIEISA-N 306.359 -0.479 30 20 DBED COCCN1CCN(C(=O)C(=O)N2CCC[C@H](C#N)C2)CC1 1120425672 KMFVJHTYTVYMEY-CYBMUJFWSA-N 308.382 -0.461 30 20 DBED C[C@@H](CN(C)C(=O)[C@H]1CNC(=O)N1)Nc1nccnc1C#N 1120634656 NXBIDTUAXYKZPI-WCBMZHEXSA-N 303.326 -0.712 30 20 DBED Cc1cc(C(=O)NC[C@@H](CO)Nc2nccnc2C#N)on1 1121060309 GBVFBTQXYPFWCU-VIFPVBQESA-N 302.294 -0.153 30 20 DBED C=CCCC(=O)NC[C@H](CO)Nc1ncnc2c1nnn2C 1121196721 ANZAOVAVKCAWNV-SECBINFHSA-N 305.342 -0.387 30 20 DBED Cc1nc(N[C@H](CO)CNC(=O)[C@H](C)C#N)c2cnn(C)c2n1 1121204423 HBYCLPSGQFJYLI-SCZZXKLOSA-N 317.353 -0.280 30 20 DBED CCNC(=O)CCC(=O)NC[C@@H](CO)Nc1ccc(C#N)nn1 1121205075 LBYKWEZNRCNQNA-NSHDSACASA-N 320.353 -0.846 30 20 DBED CCCOCC(=O)NC[C@@H](CO)Nc1nc(C)cc(C#N)n1 1121277437 BYBOYMKRICWMIX-LBPRGKRZSA-N 307.354 -0.028 30 20 DBED C#CCCCCC(=O)NC[C@H](CO)Nc1nccn2nnnc12 1121352800 FHJPFDFVABYJQO-LLVKDONJSA-N 317.353 -0.398 30 20 DBED N#Cc1cnc(N[C@H](CO)CNC(=O)CCCC(N)=O)c(F)c1 1121711672 SVCSAPCVEJJDFA-JTQLQIEISA-N 323.328 -0.363 30 20 DBED CN(C)CCOCC(=O)NC[C@H](CO)Nc1ncccc1C#N 1121807361 SNVGSDCPTUWRBV-CYBMUJFWSA-N 321.381 -0.580 30 20 DBED CN1CC[C@H](C(=O)NC[C@@H](CO)Nc2ccc(C#N)nc2)C1=O 1122431158 SVMNORMDWPVFCZ-QWHCGFSZSA-N 317.349 -0.679 30 20 DBED C[C@@]1(C(=O)NC[C@@H](CO)Nc2ccc(C#N)cn2)CCNC1=O 1122544822 VCIGNRXFCLJRHB-XHDPSFHLSA-N 317.349 -0.632 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)c1ccc[nH]1 1123459903 XPLZEOHDHIVJDJ-JTQLQIEISA-N 307.354 -0.266 30 20 DBED CN(C[C@H](O)CNc1cnc(C#N)cn1)C(=O)Cc1cnc[nH]1 1124787088 WBRUKBHICLRSPO-GFCCVEGCSA-N 315.337 -0.455 30 20 DBED CC(C)(C)[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)CC(N)=O 1125816563 LDKFFDGHRLTHTI-VIFPVBQESA-N 304.354 -0.412 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)c2nccc(C)n2)C1=O 1126479849 ANWAWAYZECXDOQ-LBPRGKRZSA-N 303.366 -0.109 30 20 DBED C#CCNC(=O)CNCCNC(=O)C[C@@H](C)N1CCCCC1=O 1127162056 IYSXRCIKNJECOX-CYBMUJFWSA-N 322.409 -0.767 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1cn2c(n1)CCCC2 1128579026 JXPPURPQRWDRSK-LBPRGKRZSA-N 317.393 -0.323 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CCCN1CCC 1128787307 ZFBQHJZVPSESDC-KBPBESRZSA-N 308.426 -0.296 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)C12CCCN1CCC2 1130810371 SXPRRVCHZHQYBA-CYBMUJFWSA-N 306.410 -0.542 30 20 DBED C=CCCC(=O)NCc1nc([C@@H]2COCCN2CCO)n[nH]1 1130831509 IMDZAGXLBHBXRJ-NSHDSACASA-N 309.370 -0.247 30 20 DBED C=CCNC(=O)CN1C[C@H](NC(=O)c2cnnn2C)CC[C@H]1C 1132006543 MJUKRIFEJQACEM-VXGBXAGGSA-N 320.397 -0.300 30 20 DBED C=CCOCCNCCNC(=O)CS(=O)(=O)N(CC)CC 1134608800 CALMHNCYQJOXKE-UHFFFAOYSA-N 321.443 -0.434 30 20 DBED C#CCN[C@@H](C)C[C@@H](C)NC(=O)C(C)(C)NS(C)(=O)=O 1135639569 OCLQAPXDNCXSGE-WDEREUQCSA-N 303.428 -0.180 30 20 DBED CC(C)C#CC(=O)N1CC2(CCN(Cc3nnn(C)n3)C2)C1 1147499022 NNYBQJOBJGOAIK-UHFFFAOYSA-N 302.382 -0.096 30 20 DBED C[C@]1(C(=O)NC[C@H]2CN(CC#N)CCCO2)CCNC(=O)C1 1149889344 NMCSRWJYZFTYEC-WFASDCNBSA-N 308.382 -0.367 30 20 DBED CC(C)(C(=O)NC[C@@H]1CN(CC#N)CCCO1)N1CCOCC1 1150462325 VCMXPXUEUWSZJQ-CQSZACIVSA-N 324.425 -0.172 30 20 DBED C#CCN1CCC(CCOC)(NC(=O)[C@@H]2CN(C)C(=O)N2)CC1 1151248708 SQMSGYATHAKGIF-ZDUSSCGKSA-N 322.409 -0.370 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H](C)NC(=O)C1CCC1 1153699460 DQXFEQKHHXEPDR-VXGBXAGGSA-N 324.425 -0.312 30 20 DBED C#CCC1(C(=O)NCCCNC[C@@H](O)COC)CCOCC1 1159644503 PICXPSHOXLIVTF-CQSZACIVSA-N 312.410 -0.090 30 20 DBED Cc1cnc(COCC(=O)NCCCNCC(=O)NCC#N)o1 1162276023 ALEILIQRNCELJB-UHFFFAOYSA-N 323.353 -0.765 30 20 DBED COCC1(CNC(=O)[C@H](C)CC(N)=O)CCN(CC#N)CC1 1162402002 YZOXQVSGDZQFJZ-GFCCVEGCSA-N 310.398 -0.134 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)C(=O)NCC2CC2)C1=O 1169463152 BBYPZGWHQRYIJI-ZDUSSCGKSA-N 322.409 -0.605 30 20 DBED CC#CCNCCCC[C@H](C)NC(=O)Cn1cnc(C(N)=O)n1 1170878246 MAHISMDUBMDJSQ-LBPRGKRZSA-N 320.397 -0.335 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)C12CCN(CC1)C2 1171303399 IUJQUCQHPVCDIR-ZDUSSCGKSA-N 308.426 -0.131 30 20 DBED C=CCOCCNCCCNC(=O)c1cn(C)c(=O)nc1O 1176011159 KIKIGWGICCETMF-UHFFFAOYSA-N 310.354 -0.602 30 20 DBED C[C@H](CCCCNCC#N)NC(=O)CN1CCC(=O)NC1=O 1176050523 UDXJQBVGASIJRM-LLVKDONJSA-N 309.370 -0.284 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H](C)OCC2CC2)C1 1181443695 IWPVJEKHEDAQOJ-TZMCWYRMSA-N 307.394 -0.259 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)Cc2cn(CC)nn2)C1 1184483204 CJLVROMOWBLWKG-GFCCVEGCSA-N 320.397 -0.667 30 20 DBED C=CCC[C@@H](C)N[C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 1184815033 IVCMSFMKNAHQOC-ZIAGYGMSSA-N 308.426 -0.037 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2cnc(O)n2C)C1 1184850176 VLFJWZRFQUBESP-GHMZBOCLSA-N 321.381 -0.380 30 20 DBED CNC(=O)CC(=O)N1CCC[C@@H](n2cc(CNCC#N)nn2)C1 1185924367 CPVOWDZYPDDQIK-GFCCVEGCSA-N 319.369 -0.809 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H]2CCN(C(=O)COCC)[C@@H]2C1 1186733475 KKZTWVHCXSULAV-HZSPNIEDSA-N 307.394 -0.307 30 20 DBED N#CCNC(=O)CN1C[C@@H]2CCN(C(=O)Cn3cccn3)[C@@H]2C1 1186836086 HDLVQVMSVANKJA-QWHCGFSZSA-N 316.365 -0.944 30 20 DBED COCC#CCN1C[C@@H]2CCN(C(=O)CO[C@H]3CCOC3)[C@@H]2C1 1187888944 AXZAZYUDMBQPJX-HRCADAONSA-N 322.405 -0.026 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2ccns2)C[C@H]1O 1192890764 CIEMHGLSAWWETD-CYZMBNFOSA-N 309.391 -0.157 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)CCc2c(C)ncnc2O)C1 1194400066 ZZJVMWMQACVXNH-CHWSQXEVSA-N 304.350 -0.782 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)c2cn(C)c(O)n2)CC1 1197021694 CNXLNUMFGAXWLV-UHFFFAOYSA-N 321.381 -0.424 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)COCc2cccnc2)C1 1198186242 PWQPFASXJVWEQQ-HUUCEWRRSA-N 303.362 -0.217 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2cnn(C)c2)C[C@H]1O 1199313614 LPCOAYLYBPCFIS-MRVWCRGKSA-N 308.382 -0.328 30 20 DBED C=CCCC(=O)N1CCCO[C@H](CNCC(=O)NCC#N)C1 1200074958 SOJJSYIKSCKIBQ-CYBMUJFWSA-N 308.382 -0.201 30 20 DBED CC(C)C#CC(=O)N1CCC(N[C@@H](C)C(=O)NC(N)=O)CC1 1200456624 YSQFYBJDHOMIMO-NSHDSACASA-N 308.382 -0.190 30 20 DBED COCC(=O)NCCC(=O)N[C@H]1C[C@@H](NCC#N)C12CCC2 1202997530 YHMRDNNNQPLUOF-NEPJUHHUSA-N 308.382 -0.320 30 20 DBED N#CCNC(=O)CNCC1CCN(C(=O)C[C@H]2CCOC2)CC1 1204852734 VSOWEXFGAUXFPU-CQSZACIVSA-N 322.409 -0.119 30 20 DBED C#CCCN[C@H]1C[C@H]2CC[C@H]1N(C(=O)Cn1c(O)nnc1O)C2 1204919765 LOIAVXPTQCQCSM-GRYCIOLGSA-N 319.365 -0.318 30 20 DBED COCC#CCNCC1CCN(C(=O)[C@H]2COCCN2C)CC1 1205020608 MZAUWQNBPRUTAX-MRXNPFEDSA-N 323.437 -0.205 30 20 DBED CC(C)N(C)CC(=O)N1CCC(CNCC(=O)NCC#N)CC1 1206953426 JVHPPLAVZPWGEG-UHFFFAOYSA-N 323.441 -0.205 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1 1207866834 RDVFUJVGTCSXFS-GFCCVEGCSA-N 314.349 -0.280 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@@H](NCc2nonc2C)C1 1207870034 OPGPDJJLXYSWNK-GFCCVEGCSA-N 319.365 -0.402 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2nccn2C)C[C@H]1OC 1212261299 ZJBMEZPAPNNOSD-ZIAGYGMSSA-N 320.393 -0.225 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)c2[nH]c(O)nc2C)C[C@H]1C 1214911162 RFIIVQCPMYVPNF-MWLCHTKSSA-N 319.365 -0.777 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)CCN(C)CCC)C[C@H]1C 1216490971 YWGFCMBNUOWZBM-HUUCEWRRSA-N 322.453 -0.096 30 20 DBED N#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@H]2CC23CCCC3)C1 1220680965 CFOXPDVPRQBUPF-UPJWGTAASA-N 320.393 -0.632 30 20 DBED COCC1(C(=O)N2C[C@H]3CCN(CC(=O)NCC#N)C[C@H]32)CC1 1221688940 VUZKTNGVHSZOFF-CHWSQXEVSA-N 320.393 -0.415 30 20 DBED COCC#CCN1CC[C@@H]2CCN(C(=O)[C@H]3CNC(=O)N3)C[C@@H]21 1223377932 AXTUWZPVYPDBEC-MCIONIFRSA-N 320.393 -0.760 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)C(=O)C(C)(C)C)CC1 1226633499 TULHMTRQZDOLEW-UHFFFAOYSA-N 307.394 -0.068 30 20 DBED CC#CCN[C@@H]1CCCC[C@H]1NC(=O)CN1CCOCC1=O 1226808245 ICLJLLHDTHNFEA-ZIAGYGMSSA-N 307.394 -0.115 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)CCCC(=O)NC)CC1 1227005010 BHXGTPDYJGLOPP-UHFFFAOYSA-N 324.425 -0.215 30 20 DBED C=C(C)CN[C@@H]1CCCC[C@H]1NC(=O)CNC(=O)CNC(C)=O 1227135795 OHJKSQDJKTYHLS-ZIAGYGMSSA-N 324.425 -0.168 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCC(NC(=O)Cc2nc[nH]n2)CC1 1229984798 BNELPKVGPKDAAJ-LLVKDONJSA-N 320.397 -0.382 30 20 DBED C#CCN1CCS(=O)(=O)[C@H](CCNC(=O)c2ncccn2)C1 1230512085 INONBSVEMDAXCK-GFCCVEGCSA-N 322.390 -0.671 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N(C)CCCNC(=O)COC 1230960871 UXVIAALHAGSAPZ-NSHDSACASA-N 314.386 -0.529 30 20 DBED C#CCCCC(=O)N(C)C[C@@H]1CCN1CCN1C(=O)CNC1=O 1233947411 LRUXNXJSRNIVIG-ZDUSSCGKSA-N 320.393 -0.126 30 20 DBED C#CCCCNC(=O)C(=O)N[C@@H]1CCC[C@H](S(C)(=O)=O)C1 1261095673 SDJXSSFHJUIRRC-NEPJUHHUSA-N 314.407 -0.012 30 20 DBED COCC#CC(=O)N1CCc2c(cccc2S(N)(=O)=O)C1 1261913296 PPUYSEPRUPGCOG-UHFFFAOYSA-N 308.359 -0.132 30 20 DBED N#CCCNC(=O)COC(=O)c1ccc(-n2cncn2)nc1 1317787481 NERIBGCORWBFBK-UHFFFAOYSA-N 300.278 -0.151 30 20 DBED N#CCCn1ccc(NC(=O)C(=O)NCC(=O)NCC2CC2)n1 1319883557 DDTDYAIFOCFYTM-UHFFFAOYSA-N 318.337 -0.622 30 20 DBED C[C@@]1(C(N)=O)CCN(C(=O)C(=O)Nc2cnn(CC#N)c2)C1 1322498476 VXEUTPHVYSPFQD-CYBMUJFWSA-N 304.310 -0.931 30 20 DBED COCCOC1CCN(C(=O)NCCn2cnc(C#N)n2)CC1 1325002661 VTEMVWHJMBEDMA-UHFFFAOYSA-N 322.369 -0.013 30 20 DBED N#Cc1ccc2c(c1)N(C(=O)C(=O)NN1CCCNC1=O)CC2 1326323469 JDHMYUHTIHSOCT-UHFFFAOYSA-N 313.317 -0.106 30 20 DBED N#CCOc1cccc(NC(=O)C(=O)N2CC[C@H](C(N)=O)C2)c1 1326776655 NGNZQDKHJUCNGS-JTQLQIEISA-N 316.317 -0.139 30 20 DBED C[C@H](O)CN(C(=O)C(=O)NCC#Cc1ccccc1)[C@H](C)CO 1327377618 AHVNDRRORMBPSE-KGLIPLIRSA-N 318.373 -0.256 30 20 DBED COC(=O)COCCNC(=O)C(=O)Nc1cccc(C#N)n1 1329033390 WFMKZXVDYLOBKZ-UHFFFAOYSA-N 306.278 -0.802 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)NCCOC(F)(F)F)C1 1329347916 OOFRZYPAUSVEBR-JTQLQIEISA-N 309.244 -0.484 30 20 DBED C#CCNC(=O)C1CCN(C(=O)N[C@@H]2CCN(C(C)=O)C2)CC1 1331337426 HPYSBFNXXJSOHM-CQSZACIVSA-N 320.393 -0.222 30 20 DBED C=CCn1cc(Cn2nnnc2N2CCC[C@](C)(O)C2)nn1 1334581905 WIJJNPHHPPTGSI-ZDUSSCGKSA-N 304.358 -0.150 30 20 DBED CN(C)CC#CCNC[C@H](O)CN1C(=O)c2ccccc2C1=O 1335424995 BQQZXUJMEPEGEC-ZDUSSCGKSA-N 315.373 -0.202 30 20 DBED N#C[C@H]1CCCN(C(=O)C(=O)N2CC[C@@H](n3cncn3)C2)C1 1335542196 BAHLKVWGAXLJRQ-VXGBXAGGSA-N 302.338 -0.186 30 20 DBED C#CCN(C(=O)C(=O)N1C[C@H](C)S(=O)(=O)[C@H](C)C1)C(C)C 1335688833 IXCDCZOEMRICSS-TXEJJXNPSA-N 314.407 -0.109 30 20 DBED N#C[C@@H]1CCCN(C(=O)C(=O)N2[C@H]3CC[C@H]2CC(=O)NC3)C1 1336516534 FPXOKACKGZMKLN-SRVKXCTJSA-N 304.350 -0.372 30 20 DBED N#Cc1cn(CC(=O)N2CCO[C@H](C(F)F)C2)c(=O)nc1O 1363332773 JXUPTNYJWRVGCV-QMMMGPOBSA-N 314.248 -0.687 30 20 DBED CCCNC(=O)NC(=O)CN1CC(CNC(=O)[C@@H](C)C#N)C1 1366960163 DVZIJUIICCUTNM-JTQLQIEISA-N 309.370 -0.570 30 20 DBED Cc1nn[nH]c1C(=O)NC[C@@H](O)CNCc1ccc(C#N)s1 1374642021 ZYFNHNJBFKEOKA-VIFPVBQESA-N 320.378 -0.073 30 20 DBED C[C@@H](C#N)C(=O)N1CC(CNC(=O)CCCC(=O)N(C)C)C1 1374870707 ICSUSFVIWOITRJ-NSHDSACASA-N 308.382 -0.021 30 20 DBED COCCN(CCNC(=O)c1nccnc1N)C(=O)[C@@H](C)C#N 1384394787 JQVVVZZWSFUKLS-JTQLQIEISA-N 320.353 -0.577 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CCN(C(=O)c2cnnc(O)c2)C1 1408391022 ZKJZMWSTWDVTQI-VHSXEESVSA-N 303.322 -0.080 30 20 DBED C[C@H](C#N)C(=O)NC[C@@](C)(NC(=O)CCNC(N)=O)C1CC1 1409501793 AKMJRODNXSNYJH-YMTOWFKASA-N 309.370 -0.394 30 20 DBED COCCN(CCC#N)C(=O)c1cn(C[C@@H]2CNC(=O)O2)nn1 1412506126 OROAHVVSLYGMJN-JTQLQIEISA-N 322.325 -0.611 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CCN(C(=O)c2cnn(C)c2N)C1 1415302802 QONMGTKBHZXPNF-ZJUUUORDSA-N 304.354 -0.260 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(C)(CNC(=O)[C@@H]2COC(=O)N2)CC1 1417397169 KJAQPZKRVSBMQS-QWRGUYRKSA-N 322.365 -0.001 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNCc1nnn(C(C)(C)C)n1 1420095858 FHRLHWZXQQSJRK-NXEZZACHSA-N 309.374 -0.846 30 20 DBED N#CC1(CNC(=O)C2=NN(CCO)C(=O)CC2)CCOCC1 1420598303 OPKDVBBINXYKLK-UHFFFAOYSA-N 308.338 -0.606 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](C1CC1)N(C)C(=O)CCn1cnnn1 1424933672 BANHOSIVLWLAFF-ZYHUDNBSSA-N 319.369 -0.424 30 20 DBED CCN(CCNC(=O)[C@@H](C)NC(C)=O)C(=O)c1c[nH]c(C#N)c1 1431590806 MJDRROZZDUOAHY-SNVBAGLBSA-N 319.365 -0.011 30 20 DBED N#Cc1ccc(N2C[C@H](C(=O)N[C@@H]3COC[C@H]3O)CC2=O)cc1 1433994403 OSSKCFDMJYHWML-MRVWCRGKSA-N 315.329 -0.213 30 20 DBED N#Cc1c(N)sc2c1CCN(C(=O)CN1CCNC(=O)C1)C2 1434404212 JYHBKRCKIMCBIW-UHFFFAOYSA-N 319.390 -0.482 30 20 DBED CC(C)CNC(=O)CNC(=O)CCn1cc(C#N)c(O)nc1=O 1463861089 JBMXJEMXFDIHCR-UHFFFAOYSA-N 321.337 -0.901 30 20 DBED CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)N1CC[C@](F)(C#N)C1 1466908365 LVVLEDSKMYHORD-YGRLFVJLSA-N 312.345 -0.143 30 20 DBED N#Cc1ccc(NCC(=O)NCc2nnc3n2CCOC3)nc1 1467686504 XUFASRPCIBQZGB-UHFFFAOYSA-N 313.321 -0.197 30 20 DBED CCCN1CCC[C@H]1CNC(=O)Cn1cc(C#N)c(O)nc1=O 1467828421 IKFFBPOEUSNOAE-LBPRGKRZSA-N 319.365 -0.189 30 20 DBED C#CCCCC(=O)N[C@H]1CCN(C(=O)CS(C)(=O)=O)[C@@H]1C 1488119166 ARZCHHMCEGCYHH-NEPJUHHUSA-N 314.407 -0.060 30 20 DBED C=C(Cl)CNC[C@@H](C)CNC(=O)Cn1ncn(C)c1=O 1495693343 BQAWYBQVTSQEOH-SECBINFHSA-N 301.778 -0.324 30 20 DBED CC[C@H](C)C[C@H](NS(=O)(=O)N1CCO[C@@H](C#N)C1)C(=O)O 1573676495 ABGCJPXRICVCKE-DCAQKATOSA-N 319.383 -0.065 30 20 DBED N#Cc1c[nH]c(=O)n(CC(=O)Nc2ccccc2C(=O)O)c1=O 1574242322 WRPUOVXVFPYKGX-UHFFFAOYSA-N 314.257 -0.255 30 20 DBED C[C@@]12CN(C(=O)[C@H](N)CCCCC#N)C[C@]1(C)C(=O)NC2=O 1576552853 FQANCVJNVYAGPK-KMUNFCNLSA-N 306.366 -0.091 30 20 DBED C#CCN(CC(=O)O)C(=O)[C@@H]1CNC(=O)C[C@@H]1C(F)(F)F 1588399148 GTZGHIVVQOVOPI-SFYZADRCSA-N 306.240 -0.153 30 20 DBED C#CCN(CC(=O)O)C(=O)Nc1nc(CS(C)(=O)=O)no1 1588417215 BUJVGBIPFNTCJL-UHFFFAOYSA-N 316.295 -0.834 30 20 DBED C[C@@](O)(CNC(=O)C(=O)Nc1cccc(OCC#N)c1)C(=O)O 1589138265 MCXGDAQGLXJMAW-CQSZACIVSA-N 321.289 -0.521 30 20 DBED N#CCN1CCC(NC(=O)[C@@H]2CCCN(CC(=O)O)C2=O)CC1 1594609862 MJAFKAPEDYUTNZ-LBPRGKRZSA-N 322.365 -0.586 30 20 DBED C#CCN1CCC(C(=O)N[C@H](Cn2ccnc2)C(=O)O)CC1 1602720671 BIILKYUHHXYMBY-CYBMUJFWSA-N 304.350 -0.202 30 20 DBED CC#CC[C@H](CO)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 1602889273 GTLIHZCSUVDBLK-LLVKDONJSA-N 321.362 -0.081 30 20 DBED COC(=O)[C@H](CNC(=O)[C@](C)(C#N)CC(=O)O)[C@H]1CCOC1 1604268088 RAZPXYOXIVNJAN-RBZYPMLTSA-N 312.322 -0.067 30 20 DBED COC(=O)CCCCn1c(=O)c(C#N)cn(CC(=O)O)c1=O 1604304532 SLLNMPLEZPMOHS-UHFFFAOYSA-N 309.278 -0.690 30 20 DBED Cc1ccc(C#N)cc1NC(=O)C(=O)NC[C@](C)(O)C(=O)O 1605245043 UIZRMCSLPNMRRQ-AWEZNQCLSA-N 305.290 -0.243 30 20 DBED C[C@H](OC(=O)[C@@H](C#N)Cc1ccc(-c2nn[nH]n2)cc1)C(N)=O 1609130884 YLAHFQDBNSWWSX-GZMMTYOYSA-N 314.305 -0.034 30 20 DBED N#Cc1ncn(CCNC(=O)c2cccc(-c3nn[nH]n3)n2)n1 1609501233 JHIYGWBSBLOCPF-UHFFFAOYSA-N 310.281 -0.845 30 20 DBED CCn1cccc(CNC(=O)NCCn2cnc(C#N)n2)c1=O 1645778143 DZHVJTSUAPAIMJ-UHFFFAOYSA-N 315.337 -0.169 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)C2(F)CCOCC2)C1 1732152451 FJITXGJRRIYYLJ-LBPRGKRZSA-N 313.373 -0.002 30 20 DBED COCCn1ccc(C(=O)NCCN2CCN(CC#N)CC2)n1 1752367169 IDNZAQBBEFQACL-UHFFFAOYSA-N 320.397 -0.600 30 20 DBED N#CCNCc1ccc(CNC(=O)[C@@H]2CCS(=O)(=O)N2)cc1 1753592157 BBHULDZEOIPTLA-ZDUSSCGKSA-N 322.390 -0.392 30 20 DBED C#CCNC(=O)CN[C@@H](CNC(=O)c1cn(C)c(O)n1)C(C)C 1753838676 SWDMPCLCYBXBHE-NSHDSACASA-N 321.381 -0.781 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CCN1CCN1C(=O)CCC1=O 1754484325 ZGNQNFWPEJFVLT-CYBMUJFWSA-N 305.378 -0.015 30 20 DBED COCC#CCN1CC[C@H]1CNC(=O)C[C@H]1CCC(=O)NC1 1754485580 YBUHLDPIZCKLDS-KGLIPLIRSA-N 307.394 -0.257 30 20 DBED C=CCNC(=O)CN1CC[C@](O)(CNC(=O)[C@@H](CC)OC)C1 1754745723 GRNXJPFHMUZVRQ-DOMZBBRYSA-N 313.398 -0.733 30 20 DBED C#CCCN1CC(O)(CNC(=O)C2(COC)CCOCC2)C1 1754768143 BORXXUYFXFPGKK-UHFFFAOYSA-N 310.394 -0.384 30 20 DBED C=CCN1CC(O)(CNC(=O)C[C@@H]2CCCS2(=O)=O)C1 1754771219 PRYIMMWXCZGALF-NSHDSACASA-N 302.396 -0.697 30 20 DBED C#CCNC(=O)[C@@H](C)NCCN(CCO)C(=O)CC(C)(C)C 1754876404 FJKYWHOKWFHLPD-CYBMUJFWSA-N 311.426 -0.029 30 20 DBED C[C@@H](C(=O)N1CC[C@@H](CCNCC#N)C1)N1C(=O)CCC1=O 1754917143 JNUPFMCFURKAHH-NWDGAFQWSA-N 306.366 -0.124 30 20 DBED Cn1nccc1COCC(=O)NC[C@@H]1COCCN1CC#N 1754969287 VUOYRSFTXFMXLQ-CYBMUJFWSA-N 307.354 -0.723 30 20 DBED C#CCNC(=O)CN1CCOC[C@@H]1CNC(=O)[C@]1(C)C=CCC1 1754970133 NJAZWDGFTPGKJS-WMLDXEAASA-N 319.405 -0.091 30 20 DBED C=CCCN[C@H]1CN(C(=O)CN(C)S(C)(=O)=O)C[C@@H]1C 1755124219 TWMOOUAKSNFBSZ-RYUDHWBXSA-N 303.428 -0.110 30 20 DBED C[C@@H]1C[C@@H](NC(=O)c2ccnnc2)CCN1CC(=O)NCC#N 1755163209 FDHRXDTWPQUUOZ-YPMHNXCESA-N 316.365 -0.301 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@H]1C[C@H](NC(=O)[C@@H]2CCCO2)C1 1755467861 DGAZBYRHRZUVHD-SYQHCUMBSA-N 307.394 -0.212 30 20 DBED C#CCOCCC(=O)N[C@H]1C[C@H](CNCc2nncn2C)C1 1755470826 ILFZWTGCXSMEDG-JOCQHMNTSA-N 305.382 -0.161 30 20 DBED C=CCN[C@@H](CO)CNC(=O)[C@@H]1CNC(=O)c2ccccc21 1755630995 VJUSOTZLDCAXOK-BXUZGUMPSA-N 303.362 -0.234 30 20 DBED C=CCCN[C@H](CO)CNC(=O)c1cncc(-n2ccnn2)c1 1755634560 HLRJKDNNYSYMSR-ZDUSSCGKSA-N 316.365 -0.081 30 20 DBED CC#CCN[C@H](CO)CNC(=O)c1cn(-c2ccccc2)nn1 1755642312 LBSPKJFTSXKVKR-ZDUSSCGKSA-N 313.361 -0.029 30 20 DBED Cn1c(C(=O)NC[C@@H](CO)NC(=O)C#CC(C)(C)C)cnc1O 1756540756 QQVVGMDPMFZYOC-JTQLQIEISA-N 322.365 -0.618 30 20 DBED C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)CC[C@@H]1CNC(=O)C(N)=O 1756938617 ARIJRTHTCAGVIA-NXEZZACHSA-N 317.349 -0.414 30 20 DBED C=CCCC(=O)N1C[C@@H](NC(=O)C[C@H]2CCNC2=O)[C@H](OC)C1 1757131699 SCZHNQLBTLOTJI-JHJVBQTASA-N 323.393 -0.179 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1OC 1757141522 TZYZCJSVMAPKRR-NXEZZACHSA-N 307.354 -0.028 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CCCN(C)C1)CCO2 1783053362 ZAQPWBSVEHMQLW-PBHICJAKSA-N 319.405 -0.209 30 20 DBED CC(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800776113 VULVJLLZPZWOAK-GNXNZQSNSA-N 322.361 -0.290 30 20 DBED C[C@H](S)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cn1cnnn1)C2 1802289814 WBKSNKJZGDAJNY-MMWGEVLESA-N 324.410 -0.370 30 20 DBED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)O)CCO2 1840029619 LNUWHXPCZWQELA-BBRMVZONSA-N 324.377 -0.763 30 20 DBED C=CCN(CC(=O)NC(=O)NCC)[C@@H]1CCS(=O)(=O)C1 66561259 FJPRCGCBSNZRHA-SNVBAGLBSA-N 303.384 -0.493 30 20 DBED CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)N1CCN(CC#N)CC1 126441874 ZCGSKVMLJRCFSK-NSHDSACASA-N 316.427 -0.382 30 20 DBED C=CCNC(=O)CN(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 247322462 ISESRZNOFNYZSI-QWHCGFSZSA-N 316.423 -0.043 30 20 DBED C#CCOc1ccc(F)cc1NC(=O)C(=O)N(C)CC(=O)NC 266562796 PRJYELYSPMVIOC-UHFFFAOYSA-N 321.308 -0.019 30 20 DBED COCCn1c(N)c(C(=O)CN(C)CCC#N)c(O)nc1=O 267023294 CBZFOSLFNBWJPS-UHFFFAOYSA-N 309.326 -0.794 30 20 DBED C=C[C@H](CO)NC(=O)c1cccc(C(=O)N[C@H](C=C)CO)c1O 292851238 XYDBRSMZWXBVGP-GHMZBOCLSA-N 320.345 -0.054 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCCN(CC)CC)C1=O 299473118 AWWMDOUHWDCHHV-UHFFFAOYSA-N 310.354 -0.579 30 20 DBED Cc1nn(C)cc1[C@H](C)N/C(O)=N/CCNS(C)(=O)=O 330524588 PPGWFUWRXLHRGF-QMMMGPOBSA-N 303.388 -0.158 30 20 DBED N#Cc1ccc(NC(=O)CN2CCN(S(N)(=O)=O)CC2)cc1 330722890 YPXNBXIUYRSVBZ-UHFFFAOYSA-N 323.378 -0.682 30 20 DBED CCN1CCN([C@@H](C)CNS(=O)(=O)N(C)CCC#N)CC1 330846870 YPXKFSQIHAZOTJ-ZDUSSCGKSA-N 317.459 -0.308 30 20 DBED CC[C@H](N/C(O)=N/CCNS(=O)(=O)N(C)C)[C@H]1CCCO1 331360655 YBXXRGRJKUIWQE-WDEREUQCSA-N 322.431 -0.156 30 20 DBED CN(C)C(=O)[C@@H]1CCCN1S(=O)(=O)N1CCO[C@@H](C#N)C1 336903765 CXYSDPAAFLPAJW-QWRGUYRKSA-N 316.383 -0.992 30 20 DBED CCN(CCC#N)S(=O)(=O)NCCn1cc([N+](=O)[O-])cn1 336937343 GWIDOOSYACMZQY-UHFFFAOYSA-N 316.343 -0.139 30 20 DBED CC(=O)NC[C@H]1CN(S(=O)(=O)N(C)[C@@H](C)CC#N)CCO1 337967272 HUAZACOVDMPSBF-JQWIXIFHSA-N 318.399 -0.698 30 20 DBED C=CCNC(=O)c1ccc(N2CC[C@@H](S(N)(=O)=O)C2)nc1 339219432 XEGJRUFPCOSJOR-LLVKDONJSA-N 310.379 -0.135 30 20 DBED C[C@@H]1CN(CC#CCN2CC[S@](=O)[C@H](C)C2)CC[S@@]1=O 341868591 HANVFQFEVMKYEF-NSMLZSOPSA-N 316.492 -0.105 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(C)CC[C@H]2CCCO2)C1=O 342505819 SCSQVCRVBWHDQD-LLVKDONJSA-N 323.349 -0.009 30 20 DBED N#Cc1ncn(CC(=O)Nc2cc(-n3cnnn3)ccc2F)n1 343062268 MLXCWIMIYXWLKK-UHFFFAOYSA-N 313.256 -0.097 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(C)CCN2CCCC2)C1=O 343861027 JOKGSYFJWGQOSL-UHFFFAOYSA-N 322.365 -0.483 30 20 DBED N#Cc1ncn(CCNC(=O)NCCC(=O)N2CCCCC2)n1 344385761 BELXAMRBSMXCIR-UHFFFAOYSA-N 319.369 -0.148 30 20 DBED C=CCNC(=O)CNC(=O)C(=O)Nc1cc(C(C)(C)C)on1 347236334 RTJURASSZLMICN-UHFFFAOYSA-N 308.338 0.329 30 20 DBED N#Cc1cccc(N2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)n1 351875803 JHXDKMJXVJCFNJ-OLZOCXBDSA-N 322.390 -0.767 30 20 DBED CN(CC(=O)NCCC(N)=O)S(=O)(=O)c1ccc(C#N)cc1 362603708 VNTYEVSFXHNCGW-UHFFFAOYSA-N 324.362 -0.830 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@H]3CCN[C@@H]3C2)C1=O 372879024 OQRGYSJBJIVUCI-WDEREUQCSA-N 320.349 -0.826 30 20 DBED CN(C)C(=O)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N 443093118 LCUFKHWHAHDOFJ-UHFFFAOYSA-N 312.307 -0.167 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](CC)[C@@H](O)CC)C1=O 456582682 GLBWZRHZXNRWBY-ZJUUUORDSA-N 311.338 -0.371 30 20 DBED C#CCN(C)C(=O)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 491629347 ODCFDCWDVOOIQV-UHFFFAOYSA-N 313.317 -0.399 30 20 DBED N#CCNC(=O)CN1CCCC[C@H]1COC(=O)N[C@@H]1CCOC1 495812328 ASFPEOHTUXNSBJ-OLZOCXBDSA-N 324.381 -0.004 30 20 DBED Cn1c(=O)c2cc(C(=O)NCCCC#N)n(C)c2n(C)c1=O 544253922 HFQMVXQBVMISCS-UHFFFAOYSA-N 303.322 -0.391 30 20 DBED Cn1c(N2C[C@@H]3CC[C@H](O)C[C@H]3C2)c(C#N)c(=O)n(C)c1=O 591829828 JRXNYQMXFKJZNT-DCAQKATOSA-N 304.350 -0.447 30 20 DBED C=CCNC(=O)CNS(=O)(=O)c1cc(C)c(C(=O)OC)o1 595322474 RXQLUEHPQQBRFC-UHFFFAOYSA-N 316.335 -0.045 30 20 DBED CCN([C@@H](C)C#N)S(=O)(=O)c1cnn(CC(=O)OC)c1 595359062 ZDFCOKYNLPPMGY-VIFPVBQESA-N 300.340 -0.021 30 20 DBED COC(=O)c1cc(C#N)c(=O)n([C@H]2CCN(CC(=O)O)C2=O)c1 596011602 FJJQJXAGYGRNHU-JTQLQIEISA-N 319.273 -0.635 30 20 DBED CC(C)(O)[C@@H](Oc1ccccc1)C(=O)NCC(=O)NCC#N 597651292 NGWSPKGKSPJQIT-ZDUSSCGKSA-N 305.334 -0.039 30 20 DBED CSCC[C@H](NS(=O)(=O)c1cccnc1C#N)C(N)=O 599402618 ZYVLHUXHUMVFDH-QMMMGPOBSA-N 314.392 -0.161 30 20 DBED C=CCCOCC(=O)N(C)CC(=O)N[C@H]1CCS(=O)(=O)C1 620191137 PLVWOWWSNVAOKU-NSHDSACASA-N 318.395 -0.659 30 20 DBED CC#CCNCc1cn(C[C@H](O)COC[C@@H]2CCCO2)nn1 641193680 RSMPDCGQSDEKPV-GJZGRUSLSA-N 308.382 -0.053 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CC23CCNCC3)C1=O 644144324 PWJFYCPJYUHVOL-JTQLQIEISA-N 320.349 -0.779 30 20 DBED C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CC[C@](F)(C#N)C1 682435476 UJJHLSVSNLRURC-RTHLEPHNSA-N 323.328 -0.825 30 20 DBED C#CCC[C@H](O)CNS(=O)(=O)N1CCC(C(=O)O)CC1 717920410 ONIHWRNRTBVITI-NSHDSACASA-N 304.368 -0.608 30 20 DBED CCS(=O)(=O)N(C)C1CCN(CC(=O)NCCC#N)CC1 731355111 NMGKQNUCHYPUPS-UHFFFAOYSA-N 316.427 -0.238 30 20 DBED COC(=O)CS(=O)(=O)NC(=O)COc1cccc(C#N)c1 731921337 SYSKFBGDBAZONA-UHFFFAOYSA-N 312.303 -0.444 30 20 DBED C=CCNC(=O)COC(=O)c1ccc(CS(N)(=O)=O)cc1 746631052 LQDUXRPRWYGETC-UHFFFAOYSA-N 312.347 -0.066 30 20 DBED C#CCNC(=O)CN1CCN(Cc2noc(COC)n2)CC1 780293212 PWJVNUALHYXEGU-UHFFFAOYSA-N 307.354 -0.917 30 20 DBED Cc1ccn(CN(C)[C@H]2CCN(S(C)(=O)=O)C2)c(=O)c1C#N 793570125 SQZRVLDVNXZJCQ-LBPRGKRZSA-N 324.406 -0.048 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(CCO)CCN1CCOCC1 801174162 GZUDSMGWVGQSOE-HNNXBMFYSA-N 309.410 -0.763 30 20 DBED C=C(Br)CNC(=O)C(=O)NCC(=O)N(C)CC 808946088 OOCMIJJESLLPQP-UHFFFAOYSA-N 306.160 -0.394 30 20 DBED C#CCCS(=O)(=O)NC(=O)Cn1c(=O)cnc2ccccc21 810783940 LKMFSADSBJCPKP-UHFFFAOYSA-N 319.342 -0.134 30 20 DBED C=C[C@H](O)C(=O)O[C@@H](C(=O)N[C@H]1CCS(=O)(=O)C1)C(C)C 814544610 MYLBIDALXHEWHO-GARJFASQSA-N 319.379 -0.596 30 20 DBED C#C[C@H](CCC)NC(=O)C(=O)c1cc(S(N)(=O)=O)cn1C 834364312 XHWOARQZBFGAJB-SECBINFHSA-N 311.363 -0.227 30 20 DBED C=C[C@H](C)ONC(=O)CS(=O)(=O)CC(=O)NO[C@@H](C)C=C 848244767 DGFISFQECUGONP-UWVGGRQHSA-N 320.367 -0.354 30 20 DBED Cn1c(NCCNc2ncccc2C#N)cc(=O)n(C)c1=O 853231736 ZUJOLEJMXTVLEG-UHFFFAOYSA-N 300.322 -0.125 30 20 DBED C=C(Br)Cn1c(=O)c(C#N)cn(CCO)c1=O 882244970 CPDDODFPNJRXJA-UHFFFAOYSA-N 300.112 -0.217 30 20 DBED CN(C)C(=O)CN1CCN(C(=O)COC(=O)C(C)(C)C#N)CC1 919350613 IBHILQULNODKFF-UHFFFAOYSA-N 324.381 -0.688 30 20 DBED O=C(NCC#CCO)N1CCn2c(nnc2C(F)(F)F)C1 923781439 XVRITDFGIWMHTA-UHFFFAOYSA-N 303.244 -0.182 30 20 DBED Cc1nnc(CC(=O)N2C[C@@H]3C[C@H]2CN3C(=O)[C@@H](C)C#N)o1 937081663 NFGBFMYLCIBGEG-LSJOCFKGSA-N 303.322 -0.108 30 20 DBED C[C@@H]1CN(C(=O)C(N)=O)CC[C@@H]1NC(=O)c1ccc(C#N)[nH]1 945484223 MTVRTZCCZDTFQM-SCZZXKLOSA-N 303.322 -0.662 30 20 DBED C#CCN1C[C@H]2CCN(C(=O)CN3C(=O)CNC3=O)CC[C@H]2C1 946884505 DEBGDFWYFLSGSO-BETUJISGSA-N 318.377 -0.658 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(O)(CN[C@@H]2CCCNC2=O)CC1 946918896 VBQIKKYTOHLVNN-NWDGAFQWSA-N 308.382 -0.632 30 20 DBED C=CCN1CC[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C[C@H]1C 947761819 QUUCCIWCPYSVIS-NEPJUHHUSA-N 320.393 -0.147 30 20 DBED C=CCn1cc(C(=O)N2CCN([C@@H]3CCCNC3=O)CC2)nn1 951559599 DYNRXEXNDCIJOX-CYBMUJFWSA-N 318.381 -0.500 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1 951868954 ZCVUMVQPZYWVCC-ONGXEEELSA-N 320.349 -0.694 30 20 DBED COC(=O)[C@H]1C[C@H]1C(=O)N(C)C1CN(C(=O)C#CC2CC2)C1 953873591 MAXUNCRFGDWGDX-OLZOCXBDSA-N 304.346 -0.122 30 20 DBED C[C@H](C#N)C(=O)N1CCC(N(C)C(=O)[C@@H]2CCC(=O)N2)CC1 954119924 OPBJXVVUPPXOOB-PWSUYJOCSA-N 306.366 -0.126 30 20 DBED C=CCn1cc(C(=O)N(C)C2CN(C(=O)c3cc[nH]n3)C2)nn1 954308618 YLPRGOLNGRHNIB-UHFFFAOYSA-N 315.337 -0.216 30 20 DBED C[C@H](C#N)C(=O)N1CC(N(C)C(=O)c2ccc3nn[nH]c3n2)C1 954536518 LFGZJRLMWUDTQB-MRVPVSSYSA-N 313.321 -0.205 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@@H](CNC(=O)c2cnn(C)c2N)C1 957995994 QHLBEAYKEMGDEL-WCQYABFASA-N 307.398 -0.009 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](NC(=O)Cn2ccccc2=O)[C@H](C)C1 958376243 HDOXHLDWEJBWLD-JHJVBQTASA-N 316.361 -0.029 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(C)c2)C1 958490851 CAQQXRBXNGLUMF-DLOVCJGASA-N 305.338 -0.777 30 20 DBED Cn1cc(CN2C[C@H]3C(NC(=O)c4cc(C#N)c[nH]4)[C@@H]3C2)nn1 958500901 UZXDYNBIFRGAJE-VXGBXAGGSA-N 311.349 -0.125 30 20 DBED CCc1cc(C(=O)N(C)[C@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)n[nH]1 958633807 ZLWRLUFCSPEKDQ-ICCXJUOJSA-N 319.365 -0.225 30 20 DBED COCc1ncc(C(=O)NC[C@@H]2CN(CC#N)C[C@@H]2O)s1 958744362 LRTIUFHWYNREES-ZJUUUORDSA-N 310.379 -0.164 30 20 DBED CN(C(=O)c1c[nH]c(C#N)c1)[C@H]1CN(C(=O)C(F)F)C[C@@H]1O 958828543 KPIXVJMUWUXMAI-UWVGGRQHSA-N 312.276 -0.205 30 20 DBED C=C(Cl)CN1C[C@@H]2C(NC(=O)Cn3ncn(C)c3=O)[C@H]2C1 960645403 GLARUFIHTMQQJW-UWVGGRQHSA-N 311.773 -0.619 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CCCN(C(=O)CC(N)=O)CC2)c[nH]1 964846765 YIIPVKSASWHIKJ-LLVKDONJSA-N 317.349 -0.127 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C2CN(C(=O)C#CC3CC3)C2)CC1 967243659 HREMISBLWDGUPQ-CYBMUJFWSA-N 314.389 -0.086 30 20 DBED C#Cc1cncc(C(=O)N2CC[C@H](NC(=O)C(N)=O)[C@H]2CC)c1 985376472 PIRXXMRUYPQQTM-QWHCGFSZSA-N 314.345 -0.343 30 20 DBED CC#CCN1CCCN(C(=O)CN2C(=O)NC(=O)C2(C)C)CC1 989412718 UYPLPEKKFHHPQA-UHFFFAOYSA-N 320.393 -0.126 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 992028542 MRYJWORAJIJZQD-RNJOBUHISA-N 321.377 -0.584 30 20 DBED CC1(C)CN(C(=O)[C@H]2CCc3nnnn3CC2)C[C@H]1NCC#N 996335009 SSSABUAUWAIVIK-NWDGAFQWSA-N 317.397 -0.024 30 20 DBED C=CCN1CC[C@H](n2cc(CNC(=O)c3cn(C)nn3)nn2)C1 999985898 QQODDZQGFKCCCH-LBPRGKRZSA-N 316.369 -0.231 30 20 DBED COCCn1cc(C(=O)NCC2CN(C(=O)[C@@H](C)C#N)C2)nn1 1001886000 UCLIZUAVNCPQLW-JTQLQIEISA-N 320.353 -0.728 30 20 DBED CN1CC[C@@H](C(=O)NC2CCN(CC#N)CC2)S1(=O)=O 1003779621 GTJQCEPNJOGGOL-NSHDSACASA-N 300.384 -0.876 30 20 DBED C[C@@H](C#N)C(=O)N1CC(CNC(=O)c2nc3ncccn3n2)C1 1003803057 MXLXQNISBYHKIH-VIFPVBQESA-N 313.321 -0.528 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2CN(C(=O)C(N)=O)CC[C@H]2C)cn1 1005097838 SEVVFCJVSUWFCK-MFKMUULPSA-N 314.345 -0.485 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnon3)C2)C1 1007706665 POZHTDCEYLPEAU-QMTHXVAHSA-N 319.321 -0.327 30 20 DBED COc1ccc(CN2CC[C@@H](NC(=O)C(N)=O)C2)cc1C#N 1015637973 WPKFOBHYAOULRX-GFCCVEGCSA-N 302.334 -0.257 30 20 DBED Cc1c(C(=O)N2CC3(CCN(C(=O)[C@H](C)C#N)C3)C2)nnn1C 1018893232 ATJIDCPCDKHMJB-SNVBAGLBSA-N 316.365 -0.042 30 20 DBED N#Cc1cc(C(=O)N2CC3(CCN(C(=O)CC(N)=O)C3)C2)c[nH]1 1018955178 BFJGKVTVKMRPJF-UHFFFAOYSA-N 315.333 -0.564 30 20 DBED C=C(Cl)CN[C@H]1CCN(C(=O)CN2CCN(C)C(=O)C2)C1 1019062402 ULYMQQFCXRTREJ-LBPRGKRZSA-N 314.817 -0.297 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCN(C(=O)C3(C(N)=O)CC3)C2)C1 1019362787 FJUMDHDPZMOVDK-JTQLQIEISA-N 304.350 -0.528 30 20 DBED C=CCCN1[C@H]2CC[C@H]1CN(C(=O)Cn1c(O)nnc1O)C2 1029566848 SQMWTSFTZWCZAR-QWRGUYRKSA-N 307.354 -0.059 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](CN(C)Cc2nc(=O)n(C)[nH]2)C1 1029678987 VCMKIZVJZJZPQD-GHMZBOCLSA-N 306.370 -0.452 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)c3cc[n+]([O-])cc3)C2)C1=O 1030072975 FAGUBGZOEWPWAU-AWEZNQCLSA-N 316.361 -0.479 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCC1CN([C@@H]2CCC(=O)NC2=O)C1 1031987170 WCJYKYSBZCWOKO-UPJWGTAASA-N 321.377 -0.569 30 20 DBED C=CCCN1CC(CNC(=O)[C@H]2CCN(C)S2(=O)=O)C1 1032045253 SHLZUFWNDORMET-GFCCVEGCSA-N 301.412 -0.356 30 20 DBED C#Cc1cncc(C(=O)N2C[C@@H]3C[C@H]2CN3[C@H]2CCNC2=O)c1 1032617407 AEDLZERMCCZEBY-KKUMJFAQSA-N 310.357 -0.150 30 20 DBED CNC(=O)CN1CCO[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 1035327282 USKXRPODFGBFKY-LLVKDONJSA-N 305.338 -0.937 30 20 DBED C#CCCN1CCO[C@@H](CNC(=O)[C@@H]2CCN(C)C(=O)C2)C1 1035420869 SJRQUZAZEIBXHA-KGLIPLIRSA-N 307.394 -0.305 30 20 DBED CN(C)Cc1cc(C(=O)NC[C@@H]2CN(CC#N)CCO2)no1 1035421983 COTKDAKMUPSLTO-GFCCVEGCSA-N 307.354 -0.310 30 20 DBED C=CCCn1cc(C(=O)NC[C@H]2CN(CCCO)CCO2)nn1 1035540016 UNTDFKZORDIGNZ-ZDUSSCGKSA-N 323.397 -0.333 30 20 DBED CC#CCN1CCO[C@@H](CNC(=O)[C@H]2CCC(=O)N(C)C2)C1 1035616981 PFEFPHJTZIMNNB-KBPBESRZSA-N 307.394 -0.305 30 20 DBED CN1CCN(CC(=O)N2CC[C@H]3[C@@H](CCN3CC#N)C2)CC1=O 1036753327 OVACVQJFRQVVPJ-KBPBESRZSA-N 319.409 -0.793 30 20 DBED C=CCOCC(=O)N1CC[C@@](O)(CNC(=O)c2ccn(C)n2)C1 1039760734 RXGQUAYWGQONHX-OAHLLOKOSA-N 322.365 -0.684 30 20 DBED CCNC(=O)CCC(=O)N1CC[C@](O)(CNC(=O)[C@H](C)C#N)C1 1040759894 DVYSTTNBSUUMOY-ABAIWWIYSA-N 324.381 -0.858 30 20 DBED C[C@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)c2cccc(O)n2)C1 1040763218 NYEMXNXXXIUFTD-BMIGLBTASA-N 318.333 -0.360 30 20 DBED CCN(C)C(C)(C)C(=O)N1CC[C@](O)(CNC(=O)[C@H](C)C#N)C1 1040765375 HWUGNVIZEAABII-WBMJQRKESA-N 324.425 -0.044 30 20 DBED N#Cc1nccc(N2C[C@@H](O)[C@H](NC(=O)c3ccon3)C2)n1 1040942731 KIPGJEBBPWBQDO-NXEZZACHSA-N 300.278 -0.684 30 20 DBED CN1CCC[C@@H]1C(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1O 1040944256 JVKMZLLQIKFUBT-RBSFLKMASA-N 315.377 -0.287 30 20 DBED N#Cc1cnc(N2C[C@@H](O)[C@H](NC(=O)c3cscn3)C2)cn1 1040945239 RDFZJPFGYKEEHM-MWLCHTKSSA-N 316.346 -0.216 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)C[C@@](C)(O)C=C)C1 1042040529 TYODHQZOPSXYRL-AWEZNQCLSA-N 312.366 -0.794 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)c2ccncc2F)C1 1042273625 UVNFLPQQCMNIDE-VIFPVBQESA-N 306.297 -0.317 30 20 DBED C=CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)Cc2cc[nH]n2)C1 1042273914 ZJZXIGDFVFZRHJ-LLVKDONJSA-N 322.365 -0.767 30 20 DBED CC#CCCCC(=O)N1CC(O)(CNC(=O)[C@H](O)C(C)C)C1 1042880447 IVDOKTNBWMANOQ-CQSZACIVSA-N 310.394 -0.114 30 20 DBED Cc1[nH]nc(C(=O)N2CC(O)(CNC(=O)C#CC3CC3)C2)c1C 1042959029 TYJRJEHPZZUFOZ-UHFFFAOYSA-N 316.361 -0.257 30 20 DBED C=CCN1CC[C@H](N2CC(N(C)C(=O)c3cncn3C)C2)C1=O 1043240481 SXTSUJBMRJYTEG-ZDUSSCGKSA-N 317.393 -0.037 30 20 DBED N#Cc1cncc(N2C[C@H](O)[C@H](NC(=O)c3ccncn3)C2)n1 1044118655 ZMEKRLQLSDMHGA-NEPJUHHUSA-N 311.305 -0.882 30 20 DBED COCc1nc(C(=O)NCC2(O)CN(C(=O)[C@@H](C)C#N)C2)co1 1045583445 YKDROVCMQTZGKZ-VIFPVBQESA-N 322.321 -0.716 30 20 DBED C#CCN1CC[C@H](N2CCN(C(=O)CO[C@@H]3CCOC3)CC2)C1 1046027266 LRUHXFYUGVVMLH-JKSUJKDBSA-N 321.421 -0.356 30 20 DBED C#CCN1CC[C@@H](N2CCN(C(=O)c3cncn3C)CC2)C1 1046041873 NVGPJYOOVHFGEY-CQSZACIVSA-N 301.394 -0.115 30 20 DBED CN(C(=O)c1cc(C2CC2)n(C)n1)[C@H]1CN(CC#N)C[C@@H]1O 1047402708 YLDCDPRVKAXBLP-KBPBESRZSA-N 303.366 -0.062 30 20 DBED CN(C(=O)[C@@H]1CCCc2nc[nH]c21)[C@H]1CN(CC#N)C[C@@H]1O 1047525597 VDJWUPFYCBEWGW-WXHSDQCUSA-N 303.366 -0.143 30 20 DBED C=CCn1cccc1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)COC)C1 1048026796 HSRXZCSPXNSEQB-KBPBESRZSA-N 321.377 -0.036 30 20 DBED C=CCN1C[C@H]2CN(C(=O)CCc3nnc(O)nc3O)C[C@H]2C1 1048917118 QCCZCRZHPAZFAH-PHIMTYICSA-N 319.365 -0.208 30 20 DBED C#CCCN1C[C@H]2CN(C(=O)c3nccnc3C(N)=O)C[C@H]2C1 1049207123 UCNJNGLLRLZIKF-TXEJJXNPSA-N 313.361 -0.397 30 20 DBED N#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)CN1C(=O)CNC1=O 1049886742 UCIRTDBJBGONDN-QWRGUYRKSA-N 305.338 -0.873 30 20 DBED C#CCCCC(=O)N1CC[C@H]([C@H](C)NC(=O)c2nnn(C)n2)C1 1050596150 TYDZJOYSVBNWFC-RYUDHWBXSA-N 318.381 -0.020 30 20 DBED C=CCN1CCOC[C@@H]1CNC(=O)c1cccn2nnnc12 1050933562 FISUAGZQWNPCIN-NSHDSACASA-N 302.338 -0.259 30 20 DBED C=C(C)CN1CCOC[C@H]1CNC(=O)[C@@H]1CCS(=O)(=O)N1 1051247689 LIIWHOWSDQALFF-NEPJUHHUSA-N 317.411 -0.929 30 20 DBED C#CCCN1CCC(N2[C@H]3CC[C@H]2CN(C(=O)C(N)=O)C3)CC1 1052991212 YUFMOIPRUXHMIB-GJZGRUSLSA-N 318.421 -0.365 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)c1cc(=O)n(C)o1)CCO2 1053233647 FPGFVEKRJQDBQO-UHFFFAOYSA-N 305.334 -0.472 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)c1cnc(O)n1C)CCO2 1053375104 YXTWITHLYSITOM-UHFFFAOYSA-N 304.350 -0.324 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)c1cn(CC)nn1)CCO2 1053487908 XCYNDIHOMGTJTM-UHFFFAOYSA-N 303.366 -0.152 30 20 DBED C=CCN1CC2(CC[C@@H](CNC(=O)c3cn(C)c(=O)cn3)O2)C1 1053629417 OZIRFKMSIFIPTI-LBPRGKRZSA-N 318.377 -0.071 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)C3CN(C(C)=O)C3)CO2)C1 1053790383 VNFATDONUIBZTG-AWEZNQCLSA-N 305.378 -0.553 30 20 DBED CN1CCOC[C@H]1C(=O)N1CCN(c2ccncc2C#N)CC1 1055754206 NKZREMHIPKUDCR-HNNXBMFYSA-N 315.377 -0.068 30 20 DBED N#Cc1ccc(N[C@@H]2CCN(C(=O)Cn3cnnc3O)C2)nn1 1056608977 DGQUIVBGVZPCFY-SNVBAGLBSA-N 314.309 -0.642 30 20 DBED C=C[C@](C)(O)CC(=O)N(CCO)CCNC(=O)c1c[nH]nc1C 1057451344 JMVIEZRYFOCCHQ-HNNXBMFYSA-N 324.381 -0.404 30 20 DBED CNC(=O)C1(C(=O)NCCN(CCO)C(=O)C#CC(C)C)CC1 1057517276 NZRWGPRJYAFILG-UHFFFAOYSA-N 323.393 -0.891 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCN(CCO)C(=O)c1ncc[nH]1 1057518984 GWVYQRDPZMTPTH-CQSZACIVSA-N 310.354 -0.713 30 20 DBED Cn1ncc(C(=O)NCCN(CCO)C(=O)C#CC(C)(C)C)n1 1057539006 KMHOJYJPQNNYEI-UHFFFAOYSA-N 321.381 -0.585 30 20 DBED C#CCOCCC(=O)N(CCO)CCNC(=O)c1ccn(C)n1 1057582890 BWSOSQXNNFBGNV-UHFFFAOYSA-N 322.365 -0.989 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)C[C@H]1CCNC1=O 1057828334 QDDSDRIQUHZPJM-CYBMUJFWSA-N 323.393 -0.891 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)Cc1cncnc1 1058652796 FPXGYVHOHVDUJI-NSHDSACASA-N 305.338 -0.884 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)c1cn(C)c(O)n1 1058714744 JMSKGFMFOMNZPS-UHFFFAOYSA-N 322.365 -0.520 30 20 DBED C=CCOCC(=O)N1CCOC[C@H]1CNC(=O)[C@H]1CCCO1 1061258618 IVXJAQAENHQYHK-CHWSQXEVSA-N 312.366 -0.288 30 20 DBED N#Cc1ccc(N2CCC[C@@H]2CNC(=O)[C@H]2CNC(=O)N2)cn1 1061441058 NWWPJRIYOXCOOW-DGCLKSJQSA-N 314.349 -0.280 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)Cc1cncnc1 1061849033 YGRHRLOVSWNDKT-WCQYABFASA-N 317.349 -0.478 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)c1ccc(O)nc1 1061852884 NTNUMQJIVIBISZ-CMPLNLGQSA-N 318.333 -0.096 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(NC(=O)CNC(=O)CC)CCC1 1063042239 QBYPMXWQISGQAE-GFCCVEGCSA-N 323.393 -0.294 30 20 DBED Cc1cc(C#N)nc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)c2cnn(C)n2)n1 1064275263 QZIGJCJLXGQECJ-JIMOISOXSA-N 324.348 -0.208 30 20 DBED CCNC(=O)CC(=O)NC[C@H]1CN(C(=O)[C@@H](C)C#N)CCO1 1065557739 UUKUEQAJBGQUMP-QWRGUYRKSA-N 310.354 -0.984 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@H](CNC(=O)CCn2ccnc2)C1 1065559803 GTGZTQLYIOLRDN-QWHCGFSZSA-N 319.365 -0.224 30 20 DBED N#Cc1nccc(N2C[C@@H](O)[C@H](CNC(=O)c3cocn3)C2)n1 1067654051 RMFBWPDKUHKVDF-MWLCHTKSSA-N 314.305 -0.437 30 20 DBED N#Cc1nccc(N2C[C@@H](O)[C@H](CNC(=O)c3cnco3)C2)n1 1067688895 NFZKMAMPMWZLAV-NXEZZACHSA-N 314.305 -0.437 30 20 DBED C[C@@H]1[C@H](Nc2cnc(C#N)cn2)CCN1C(=O)Cn1ncnn1 1068901929 UCQLBWCXZNAZML-MWLCHTKSSA-N 313.325 -0.564 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)[C@@H]2CCNC2=O)CCOCC1 1070233912 IEXJDQSUHAPZOO-GHMZBOCLSA-N 322.365 -0.936 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@@H](NC(=O)c2cc[nH]n2)C1 1070636208 NUFFMJFOGXVHKY-LLVKDONJSA-N 317.349 -0.730 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCC[C@@H](NC(=O)Cn2ncnn2)C1 1070903708 IGRCEFPAHRYWAS-NWDGAFQWSA-N 322.369 -0.629 30 20 DBED C=CCCC(=O)N1C[C@@H](NC(=O)CS(C)(=O)=O)[C@H](C)C1 1071769971 BMUIILNWZJRFPJ-GHMZBOCLSA-N 302.396 -0.040 30 20 DBED C=CCOCC(=O)N1C[C@H](C)[C@H](NC(=O)c2nccnc2N)C1 1071808402 HFKIDPDDJFXZCX-WDEREUQCSA-N 319.365 -0.162 30 20 DBED C#CCCN1C[C@H](NC(=O)CN2CC(=O)N(C)C2=O)CC[C@H]1C 1071989768 RGHPCOMZFFMIFQ-CHWSQXEVSA-N 320.393 -0.127 30 20 DBED Cc1ncnc(O)c1C(=O)NC[C@H]1CN(CC#N)CCCO1 1073739613 YVTTZSRNXCMKIJ-NSHDSACASA-N 305.338 -0.165 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)[C@H]2CCc3nncn3C2)C1 1073901654 AHUOZRDWJDOZFC-UONOGXRCSA-N 317.393 -0.319 30 20 DBED Cn1ncc(CCC(=O)N2CC[C@@H]3OCCN(CC#N)[C@H]3C2)n1 1074339495 VKPQKPCIMCKFSP-KBPBESRZSA-N 318.381 -0.427 30 20 DBED C=CCCC(=O)N1CCC(O)(CNC(=O)Cn2ncnn2)CC1 1074511574 OFCANIAWLVMRSX-UHFFFAOYSA-N 322.369 -0.891 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)c2ccc(NC(C)=O)cn2)C1 1077103148 CGSFCZCBVDSLBY-HUUCEWRRSA-N 316.361 -0.162 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)Cc2cnccc2OC)C1 1077220413 LHCMBMSBLPYOGS-ZIAGYGMSSA-N 303.362 -0.183 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2conc2C(F)(F)F)C1 1077393610 AVDPVBMRKINMPS-HTQZYQBOSA-N 304.228 -0.008 30 20 DBED CC(C)Cn1cccc(C(=O)N[C@@H]2CN(CC#N)C[C@H]2O)c1=O 1077785649 JIOQJXBYXJRYDL-ZIAGYGMSSA-N 318.377 -0.197 30 20 DBED C[C@@H](CCNC(=O)Cc1nc[nH]n1)NC(=O)c1ccc(C#N)[nH]1 1078594233 AGXCJVFGEMXILQ-VIFPVBQESA-N 315.337 -0.128 30 20 DBED CCN(C(=O)c1ncn(C)n1)C1CN(C(=O)CSCC#N)C1 1079715284 AVEKYRUGASCRBI-UHFFFAOYSA-N 322.394 -0.255 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@H]2CCc3nnn(C)c3C2)[C@H](C)C1 1080336598 LUTZBTBOEDEYMS-MBNYWOFBSA-N 301.394 -0.010 30 20 DBED C=CCCOCC(=O)N1CC(N(CC)C(=O)C2(C(N)=O)CC2)C1 1080399719 ZKFRCFGNFKUVKT-UHFFFAOYSA-N 323.393 -0.096 30 20 DBED CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)C(=O)NCC2CC2)C1 1080414784 SQYFEGIJOBSIDO-SNVBAGLBSA-N 306.366 -0.268 30 20 DBED C=CCCOCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cn[nH]c2)C1 1081295765 VADODRWDDKLDAK-OLZOCXBDSA-N 322.365 -0.449 30 20 DBED C=C(C)CCC(=O)NC[C@@H]1CN(C(=O)Cc2nc[nH]n2)C[C@H]1O 1081534648 YIMVEJLOFOXQKQ-VXGBXAGGSA-N 321.381 -0.361 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)C(=O)NCC2CC2)C1 1081697617 FTEUWALTHGQMGA-CHWSQXEVSA-N 323.393 -0.586 30 20 DBED Cc1nc(CN2C[C@H]3[C@@H](C2)OCCN3C(=O)[C@H](C)C#N)n[nH]1 1083026843 PHNCRZRZRUYLBM-ADEWGFFLSA-N 304.354 -0.316 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCc3nc(C)nn3C2)C1 1083662664 DFAJTNXCTXJPQN-XQQFMLRXSA-N 305.382 -0.504 30 20 DBED C#CCN1CC[C@@H]1CN(C)C(=O)[C@H]1CC(=O)N(CCOC)C1 1085626565 PDJPZCUWGGFHCI-UONOGXRCSA-N 307.394 -0.353 30 20 DBED CC[C@@H]1[C@@H](NC(=O)[C@H]2CN(C(C)=O)CCO2)CCN1CC#N 1087815680 XJEZVAWIDAPPTF-BFHYXJOUSA-N 308.382 -0.274 30 20 DBED C#CCN1CC[C@H](NC(=O)c2c(O)nnc(C)c2C)[C@@H](O)C1 1090483865 UXODWCCGJYKHOY-RYUDHWBXSA-N 304.350 -0.403 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2cnc(O)cc2OC)[C@@H](O)C1 1090578609 WZQOVVABMFLOHL-OLZOCXBDSA-N 319.361 -0.016 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1OC 1090869695 XWGUDIJHEYPXQU-CHWSQXEVSA-N 317.349 -0.129 30 20 DBED CC(=O)N1CCO[C@@H](C(=O)N2C[C@H]3CN(CC#N)C[C@@]3(C)C2)C1 1092242612 SRSYLHHBLLOMPP-FMKPAKJESA-N 320.393 -0.462 30 20 DBED CN(C)C(=O)CC(=O)N[C@H]1[C@@H]2CN(c3ncccc3C#N)C[C@@H]21 1093358277 PETPDACOVVGYDB-JYAVWHMHSA-N 313.361 -0.018 30 20 DBED C#CCN1CC(OC2CCN(C(=O)[C@H]3CC[C@H]3C(N)=O)CC2)C1 1093557741 IHJGBXASKRNNRB-CABCVRRESA-N 319.405 -0.177 30 20 DBED Cn1ncc(C(=O)N2CCC(OC3CN(CC#N)C3)CC2)n1 1093584452 PYVIURAVLLLFJN-UHFFFAOYSA-N 304.354 -0.356 30 20 DBED C#CCCN1CC(n2cc(CNC(=O)[C@@H]3CCN(C)C3)nn2)C1 1094338847 OPBHZDJKPMHFFH-CYBMUJFWSA-N 316.409 -0.274 30 20 DBED N#Cc1nc(=NCCCNC(=O)C[C@H]2COC(=O)C2)cc[nH]1 1094367629 AMJQAICYHOLPOM-SNVBAGLBSA-N 303.322 -0.358 30 20 DBED C#CCO[C@@H](C)C(=O)NCCCN=c1cc[nH]c(C(=O)OC)n1 1094594278 CSWMASUTVAPBQE-NSHDSACASA-N 320.349 -0.358 30 20 DBED Cc1nc(C(=O)N[C@H]2CC(=O)N(C3CN(CC#N)C3)C2)cs1 1094774710 PHHVQEWFMNRMHJ-JTQLQIEISA-N 319.390 -0.010 30 20 DBED COC(=O)NCC(=O)N1CC[C@@H](N(C)c2cncc(C#N)n2)C1 1095093462 OKOZXJAYPPALPP-LLVKDONJSA-N 318.337 -0.259 30 20 DBED CNC(=O)NCC(=O)N1CCC[C@H](Nc2ccc(C#N)nn2)C1 1095329863 CZNWORWDQSUQNL-NSHDSACASA-N 317.353 -0.320 30 20 DBED CCN(CCCNC(=O)Cn1cncn1)c1cncc(C#N)n1 1095883388 GLNOWPAHWBAEHS-UHFFFAOYSA-N 314.353 -0.027 30 20 DBED C=CCCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H]1CC(=O)NC(=O)N1 1096080452 KZOVBUHMAFISTJ-RHYQMDGZSA-N 306.366 -0.118 30 20 DBED CC(=O)N[C@@H](C)C(=O)N[C@H]1CCCN(c2nccnc2C#N)C1 1096135412 XQORIHCQOKRFOU-JQWIXIFHSA-N 316.365 -0.042 30 20 DBED C[C@H](NC(N)=O)C(=O)N[C@H]1CCCN(c2nccnc2C#N)C1 1096162815 RCZGFPVDKJHMQI-UWVGGRQHSA-N 317.353 -0.510 30 20 DBED N#Cc1cnc(N[C@H]2CCN(C(=O)C(=O)NCC(F)F)C2)cn1 1096967667 YCJPENLOZXAXMC-QMMMGPOBSA-N 324.291 -0.258 30 20 DBED CCc1nc(C#N)cc(N[C@H](C)CNC(=O)[C@@H]2COC(=O)N2)n1 1097817156 OYQHJCYJRBXLNN-SCZZXKLOSA-N 318.337 -0.064 30 20 DBED C[C@@H](CNC(=O)c1cn(C)c(=O)n1C)Nc1ccc(C#N)nn1 1097895469 XPEHMEHAGQFSFS-VIFPVBQESA-N 315.337 -0.384 30 20 DBED C[C@H](CNC(=O)C1CS(=O)(=O)C1)Nc1ccc(C#N)cn1 1098071124 NNGWLFHYNCNKSM-SECBINFHSA-N 308.363 -0.086 30 20 DBED Cn1cc(C(=O)N2CC[C@H](n3cc(CNCC#N)nn3)C2)nn1 1098667028 OSRJBHGAGJNWMR-NSHDSACASA-N 315.341 -0.893 30 20 DBED C=CCN1CC[C@@H](N2C[C@@H]3CCC[C@]3(NC(=O)C(N)=O)C2)C1=O 1099008047 DZBXPOZGCMQFKJ-OZVIIMIRSA-N 320.393 -0.771 30 20 DBED C[C@@H](CCNC(=O)[C@H]1CCNC1=O)Nc1nccnc1C#N 1099617417 UWOPSIPUADNKDS-VHSXEESVSA-N 302.338 -0.209 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)Cc2ccon2)[C@@H](O)C1 1099745159 ZVTSPZAZZCEKAK-KGLIPLIRSA-N 307.350 -0.582 30 20 DBED C#CCCCCC(=O)N[C@@H]1CCN(CC(=O)N2CCC2)C[C@@H]1O 1099785150 BDSBCFHQLXRCJL-CABCVRRESA-N 321.421 -0.036 30 20 DBED C#CCCCC(=O)N[C@@H]1CCN(Cc2nc(O)n[nH]2)C[C@H]1O 1099803760 CXHFOFUQYWUMBR-GHMZBOCLSA-N 307.354 -0.635 30 20 DBED CC(=O)NCCOCCNC1CC(CNC(=O)[C@@H](C)C#N)C1 1100196160 APXDOSSDFXCFPR-XGNXJENSSA-N 310.398 -0.217 30 20 DBED C=CCNC(=O)CNC1CC(CNC(=O)c2cncnc2)C1 1100263910 NOKWEJRWHLCKAI-UHFFFAOYSA-N 303.366 -0.123 30 20 DBED C#CCNC(=O)[C@H](C)NC1CC(CNC(=O)C2=CCOCC2)C1 1100269888 SQTDCZROQSEGCS-OPFPJEHXSA-N 319.405 -0.045 30 20 DBED CN1C[C@H](C(=O)NCCN(C)c2ccncc2C#N)CC1=O 1100383604 HALOZYNWIRXYJR-LLVKDONJSA-N 301.350 -0.016 30 20 DBED Cn1cc(C(=O)NCCN(c2cncc(C#N)n2)C2CC2)nn1 1101338371 KKIIJULYSXESTC-UHFFFAOYSA-N 312.337 -0.124 30 20 DBED COCC(=O)N[C@@H](C)C(=O)N(C)CCNc1nccnc1C#N 1102008315 MRWNMRYSINYBEF-JTQLQIEISA-N 320.353 -0.630 30 20 DBED C=CCN1C[C@@H](C)[C@H](CNC(=O)C[C@H](NC(C)=O)C(N)=O)C1 1102437845 YDEZKBOIAFYLQG-RTXFEEFZSA-N 310.398 -0.763 30 20 DBED C=CCOCC(=O)N1C[C@@H]2C[C@H]1CN2c1ccc2nnnn2n1 1102544478 QRTWBEQVTWGPJO-QWRGUYRKSA-N 315.337 -0.489 30 20 DBED C#CCN1C[C@@H](C)[C@H](CCNC(=O)Cn2cnc(C(N)=O)n2)C1 1103003344 NDLULYJQIHVYJD-VXGBXAGGSA-N 318.381 -0.916 30 20 DBED N#Cc1cncc(NCC2(NC(=O)CNC(N)=O)CCCC2)n1 1103393159 MMAGSEGLKRIZLW-UHFFFAOYSA-N 317.353 -0.143 30 20 DBED C[C@@H](CNc1ccc(C#N)nc1)N(C)C(=O)[C@H]1CNC(=O)N1 1104784988 KUHHOZXZILYXSO-JOYOIKCWSA-N 302.338 -0.107 30 20 DBED C=CCNCc1cn(C2CN(C(=O)C(C)(C)C(N)=O)C2)nn1 1105262213 OCJUFBBKUXIWCY-UHFFFAOYSA-N 306.370 -0.552 30 20 DBED Cc1ncncc1C(=O)NC[C@H](O)CNc1ccc(C#N)nn1 1105722935 CIXXRRNPJHPUTR-LLVKDONJSA-N 313.321 -0.351 30 20 DBED COC(=O)NCC(=O)NC[C@@H](O)CNc1cccc(F)c1C#N 1105723413 OHPKIGDZEMYBFJ-VIFPVBQESA-N 324.312 -0.058 30 20 DBED CCNC(=O)CCC(=O)NC[C@H](O)CNc1ccc(C#N)nn1 1105747045 UIVNFVCPTCUSDE-LLVKDONJSA-N 320.353 -0.846 30 20 DBED CC(C)(C)C(=O)C(=O)NC[C@@H](O)CNc1ccc(C#N)nn1 1105765549 BLUOHHVHEIVBSS-JTQLQIEISA-N 305.338 -0.148 30 20 DBED C[C@@](O)(CC(=O)NC[C@H](O)CNc1nccnc1C#N)C1CC1 1105826789 KIXQKQYIKRWWOT-XHDPSFHLSA-N 319.365 -0.212 30 20 DBED CN1CCOC[C@H]1C(=O)NC[C@H](O)CNc1ccc(C#N)cn1 1105828306 DPDRFFUAZMDUIU-OLZOCXBDSA-N 319.365 -0.827 30 20 DBED CCN(CC)CC(=O)NC[C@H](O)CNc1nccnc1C#N 1105869509 VCPCZASXBMHHRH-NSHDSACASA-N 306.370 -0.421 30 20 DBED CN1CC[C@H](CC(=O)NC[C@H](O)CNc2ccc(C#N)nn2)C1 1105914145 POJKMSBOUWETDW-DGCLKSJQSA-N 318.381 -0.421 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)C[C@@](C)(O)C=C)C[C@H]1C 1106059488 WILYUQQHAVTPLE-CPUCHLNUSA-N 321.421 -0.253 30 20 DBED C[C@H](CCNc1cnc(C#N)cn1)NC(=O)[C@H]1CCNC1=O 1106515254 IMEADNPQDYEPAZ-KOLCDFICSA-N 302.338 -0.209 30 20 DBED CCN(CCN=c1cc[nH]cc1C#N)C(=O)CN1CCOCC1 1106723786 WQTBQTOSRBKVGT-UHFFFAOYSA-N 317.393 -0.032 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)N1C[C@@H](C)[C@H](CNCC(N)=O)C1 1106733880 JIPQMAYXFIJKKX-BNOWGMLFSA-N 324.425 -0.373 30 20 DBED CCN(CCNc1cncc(C#N)n1)C(=O)Cn1cncn1 1106770671 YSDTWCGJGYEQMV-UHFFFAOYSA-N 300.326 -0.100 30 20 DBED C=CCN1CC(n2cc(CNC(=O)CNC(=O)C3CC3)nn2)C1 1107135590 WQYMQBOKXPFTCI-UHFFFAOYSA-N 318.381 -0.537 30 20 DBED CN(C)c1cnc(C(=O)NC[C@@]2(C)CN(CC#N)CCO2)cn1 1107945193 AQOLJCJDEDLYDU-HNNXBMFYSA-N 318.381 -0.113 30 20 DBED CC#CCN1CC(N2C[C@H](NC(=O)CCN(C)C)CC2=O)C1 1108570034 URKFUJKLFMBGGY-CYBMUJFWSA-N 306.410 -0.637 30 20 DBED C[C@H](CN(C)c1cnc(C#N)cn1)NC(=O)[C@@H]1CCC(=O)N1 1109027747 XFBIVSNGVMZHGX-KOLCDFICSA-N 302.338 -0.432 30 20 DBED CNC(=O)NCC(=O)N[C@@H](CNc1cncc(C#N)n1)C1CC1 1110005553 VSTQAOKQRWLNSB-NSHDSACASA-N 317.353 -0.416 30 20 DBED N#Cc1cncc(NCCN(CCO)C(=O)c2cncnc2)n1 1111465702 KSCYFAZYABGYES-UHFFFAOYSA-N 313.321 -0.315 30 20 DBED C[C@H]1OCC[C@H]1C(=O)N(CCO)CCN=c1cc[nH]c(C#N)n1 1111497706 NXUGNWHUUQFRGZ-VXGBXAGGSA-N 319.365 -0.572 30 20 DBED CN(CCCN(C)c1ccnc(C#N)n1)C(=O)Cn1cncn1 1112086999 DZOWUTYIDQFOPV-UHFFFAOYSA-N 314.353 -0.075 30 20 DBED C[C@@H]1CN(C(=O)CCCC(N)=O)C[C@@H]1N=c1cc[nH]c(C#N)n1 1112318480 QSGDNGYSSQCSLJ-MNOVXSKESA-N 316.365 -0.315 30 20 DBED CCNC(=O)NC(=O)[C@@H](C)N1CCN(C(=O)[C@@H](C)C#N)CC1 1112711459 BNXKRWOSCLZRMU-WDEREUQCSA-N 309.370 -0.476 30 20 DBED CCNC(=O)NC(=O)CN1CCN(C(=O)C#CC(C)C)CC1 1112832333 QPWCDDQWNKMEPH-UHFFFAOYSA-N 308.382 -0.364 30 20 DBED C[C@H](NC(=O)Cn1cnnn1)[C@H](C)Nc1ccc(C#N)nc1 1112906213 XYKNWHKQTHQQFZ-UWVGGRQHSA-N 300.326 -0.055 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CCNC1=O)N(C)c1nccnc1C#N 1113802220 JWFOIYCWALDKQQ-VHSXEESVSA-N 302.338 -0.575 30 20 DBED C#CCO[C@H](C)C(=O)NC1[C@@H]2CN(CCN3CCCC3=O)C[C@@H]12 1114262733 ITJSBTFHDWIFAZ-MGPQQGTHSA-N 319.405 -0.307 30 20 DBED C[C@H](NC(=O)c1ccoc1)C(=O)N[C@H]1[C@@H]2CN(CC#N)C[C@@H]21 1114322400 YYCFRJDPOAUGSC-FTYKPCCVSA-N 302.334 -0.032 30 20 DBED C=CCOCCN1C[C@H]2[C@H](NC(=O)[C@H]3CCN(C)C3=O)[C@H]2C1 1114714696 XEGSXCRLSXMFDJ-MQYQWHSLSA-N 307.394 -0.286 30 20 DBED C=CCOCCN1C[C@@H]2C(NC(=O)CCc3cnn(C)n3)[C@H]2C1 1114843013 GLGHDAIKLYDCQZ-KBPBESRZSA-N 319.409 -0.003 30 20 DBED CCS(=O)(=O)CC(=O)NC1[C@@H]2CN(CC#CCOC)C[C@@H]12 1115300367 QHGKAFZUSSZXNS-VXGBXAGGSA-N 314.407 -0.883 30 20 DBED C[C@@H](CN(C)C(=O)[C@@H]1COC(=O)N1)Nc1cncc(C#N)n1 1115702721 LAXJRCALLAANMK-WPRPVWTQSA-N 304.310 -0.285 30 20 DBED C#CCOCCNC(=O)C(=O)NCC1(CN(C)C)CCCC1 1117437313 YQXIDARGLFYXCQ-UHFFFAOYSA-N 309.410 -0.009 30 20 DBED COC[C@H]1CCCCN1C(=O)C(=O)N1CC[C@](O)(CC#N)C1 1118250961 ZLMGZROWHQPIKA-IUODEOHRSA-N 309.366 -0.109 30 20 DBED N#CCSCC(=O)NC[C@H](CO)Nc1cnc(C#N)cn1 1121078854 IBFHERDNOPXIIJ-SNVBAGLBSA-N 306.351 -0.506 30 20 DBED CCc1nc[nH]c1C(=O)NC[C@@H](CO)N=c1cc[nH]cc1C#N 1121874688 ISKIFMPKDDUGBQ-NSHDSACASA-N 314.349 -0.137 30 20 DBED N#Cc1cnc(N[C@H](CO)CNC(=O)CCCCC(N)=O)cn1 1122045406 SLFPXIZXVHFMQP-NSHDSACASA-N 320.353 -0.717 30 20 DBED N#Cc1c[nH]ccc1=N[C@H](CO)CNC(=O)c1cnnc(O)c1 1122158514 RGFLRTNQGKFECQ-NSHDSACASA-N 314.305 -0.926 30 20 DBED CN1CCCC[C@H]1C(=O)NC[C@@H](CO)N=c1cc[nH]cc1C#N 1122340715 BQOICSANSVWOAY-ZFWWWQNUSA-N 317.393 -0.252 30 20 DBED C[C@]1(C(=O)NC[C@H](CO)Nc2ccc(C#N)cn2)CCNC1=O 1122544819 VCIGNRXFCLJRHB-ABAIWWIYSA-N 317.349 -0.632 30 20 DBED CC[C@@H]1OCC[C@H]1C(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1 1122919942 OLLKWXDZCGRMJP-UTUOFQBUSA-N 319.365 -0.526 30 20 DBED C[C@@H]1[C@H](NC(=O)CNC(N)=O)CCCN1c1cnc(C#N)cn1 1123514946 TXTUGJUAEROONL-MWLCHTKSSA-N 317.353 -0.510 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)c1cnccn1 1124045643 HSOFTYORUIPWTJ-SNVBAGLBSA-N 313.321 -0.895 30 20 DBED CS[C@@H](C)C(=O)N(C)C[C@@H](O)CN=c1cc[nH]c(C#N)n1 1124105439 NEYNGPSLNJZKGG-UWVGGRQHSA-N 309.395 -0.247 30 20 DBED C=CCn1cc(C(=O)N(C)C[C@H](O)CNc2ncccn2)nn1 1124804188 RBBITVFIEVNCJA-LLVKDONJSA-N 317.353 -0.201 30 20 DBED CN(C[C@@H](O)CN(C)c1nccnc1C#N)C(=O)[C@@H]1CCOC1 1124996048 XLZPSXHIYZGIRT-NEPJUHHUSA-N 319.365 -0.360 30 20 DBED N#Cc1cccnc1N1CC=C(CNC(=O)Cn2cnnn2)CC1 1127552253 QPUPTHSIQPKRHG-UHFFFAOYSA-N 324.348 -0.107 30 20 DBED COCCCOCC(=O)NCc1cnn2c1CN(CC#N)CC2 1128544306 NFGUTMSHKBMVGD-UHFFFAOYSA-N 321.381 -0.108 30 20 DBED C#CCCN[C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@@H]1n1ccnn1 1130007223 FGCDWXKGCZWTRK-ILXRZTDVSA-N 318.425 -0.017 30 20 DBED COCC#CCNCCNC(=O)c1nc(OC)cc(OC)n1 1130286606 BCNGZMBGONHKKZ-UHFFFAOYSA-N 308.338 -0.537 30 20 DBED C=CCOCCNCCNC(=O)c1coc(S(N)(=O)=O)c1 1130427903 TWGYDJPFYXDIBP-UHFFFAOYSA-N 317.367 -0.551 30 20 DBED C#CCN1CCOC[C@@H]1c1n[nH]c(CNC(=O)C[C@@H](C)OC)n1 1130831555 KAYGGTYKGMWHQD-VXGBXAGGSA-N 321.381 -0.148 30 20 DBED C=CCNC(=O)CN1C[C@H](NC(=O)c2cnn[nH]2)CC[C@H]1C 1132145667 RKTBYJUSJFLNKN-GHMZBOCLSA-N 306.370 -0.310 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1cnn2cccnc12 1132205704 QLELNVUQQABKEO-UHFFFAOYSA-N 302.338 -0.649 30 20 DBED C[C@@H]1CC[C@H](NC(=O)c2n[nH]cc2F)CN1CC(=O)NCC#N 1132273981 MUBXRWDDMKUTNJ-ZJUUUORDSA-N 322.344 -0.229 30 20 DBED C[C@@H]1CC[C@@H](NC(=O)c2ccncn2)CN1CC(=O)NCC#N 1132372629 RWMKSUJLJPAMSP-VXGBXAGGSA-N 316.365 -0.301 30 20 DBED C=CCNC[C@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)CC[C@H]1C 1132844028 URKDQBSNWNZWFD-NEPJUHHUSA-N 320.397 -0.363 30 20 DBED C#CCOCCC(=O)N[C@@H](C)C[C@@H](C)NCCOCCO 1134353116 VWVPNUYDYQMGKW-KGLIPLIRSA-N 300.399 -0.092 30 20 DBED C=CCCn1cc(C(=O)NCCNCc2cnn(CC)n2)nn1 1135072417 VSHUMGIGOMUBLX-UHFFFAOYSA-N 318.385 -0.015 30 20 DBED COCC#CCNCCNC(=O)c1cnc2c(cnn2C)c1 1135787280 HVOJSMJLFHLPIK-UHFFFAOYSA-N 301.350 -0.063 30 20 DBED CC#CCN[C@@H](C)C[C@@H](C)NC(=O)c1cn(CC(N)=O)nn1 1146583357 KGWPSGQBRNJWRG-WDEREUQCSA-N 306.370 -0.727 30 20 DBED C#Cc1ccccc1CC(=O)NCCNCc1nc(=O)n(C)[nH]1 1149117658 MQPJPODFKGXQGW-UHFFFAOYSA-N 313.361 -0.462 30 20 DBED CC[C@H](C)C(=O)NC[C@@H]1CN(CC(=O)NCC#N)CCCO1 1149169122 ZGABKYNEWRVQNT-QWHCGFSZSA-N 310.398 -0.121 30 20 DBED CC(=O)N(C)CCCC(=O)NC[C@@H]1CN(CC#N)CCCO1 1150646051 KKZZDHSTOLZBKD-CQSZACIVSA-N 310.398 -0.024 30 20 DBED Cn1cc(CCC(=O)NC[C@H]2CN(CC#N)CCCO2)nn1 1150842854 ZHLGPQFDOMGSLM-ZDUSSCGKSA-N 306.370 -0.522 30 20 DBED C[C@@H](C#N)C(=O)NCCCN[C@@H](C)C(=O)NC(=O)NC1CC1 1155860880 YGUAQLDORVXYTG-UWVGGRQHSA-N 309.370 -0.381 30 20 DBED C=CCNC(=O)[C@@H](C)N(C)C[C@H]1CCCCN1C(=O)C(N)=O 1158426096 HOZAWASWQNWQMZ-VXGBXAGGSA-N 310.398 -0.525 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1ccc(OCC)nc1 1159318285 AILIPLRRLIPJKH-UHFFFAOYSA-N 318.377 -0.061 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1cc2n(n1)CCC2 1159434058 OLQHVGIUMNSEKU-UHFFFAOYSA-N 303.366 -0.712 30 20 DBED C#CCN1CC=C(CCNC(=O)[C@@H](C)NS(C)(=O)=O)CC1 1161320099 CCHXNUYHUXKPGK-GFCCVEGCSA-N 313.423 -0.304 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)c2cc(=O)n(C)o2)[C@H]1C 1178555220 GDRHPJOEEWDUKL-QWRGUYRKSA-N 322.365 -0.527 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)c2nc[nH]n2)[C@H]1C 1179740448 RRNDPHDGQUOKEF-DCAQKATOSA-N 304.354 -0.865 30 20 DBED C=CCOCCCC(=O)N1CC[C@@H](NCc2nc(=O)n(C)[nH]2)C1 1181890310 FLTCSZPONJCILB-GFCCVEGCSA-N 323.397 -0.218 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@@H](NCC(=O)NCC2CC2)C1 1182504677 HKBYNISRABMFFH-TZMCWYRMSA-N 307.394 -0.259 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)COCc2ncnn2C)C1 1186724529 ABBPOXPCAPDBRO-CYBMUJFWSA-N 321.381 -0.828 30 20 DBED COCCCNC(=O)CCC(=O)N1CC[C@H]2CN(CC#N)C[C@H]21 1189742990 YTELWQIJTLCDAJ-UONOGXRCSA-N 322.409 -0.024 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)c2cnc(C)[nH]2)C1 1191771030 JWIVKPQLEGORIO-ZWKOPEQDSA-N 321.381 -0.816 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(CCOCC2CC2)C[C@H]1O 1192879368 YQNNCMVDYWXEBZ-HUUCEWRRSA-N 310.394 -0.386 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2ncccn2)C[C@H]1O 1192885994 JVPWSSMAAPDEJK-CHWSQXEVSA-N 304.350 -0.822 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H](OC)c2cnn(C)c2)C1 1195030501 QJVCHWNGOVKAQR-MCIONIFRSA-N 306.366 -0.708 30 20 DBED N#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CC2(F)F)CC1 1195728017 RRUXIMYCNFMCTK-JTQLQIEISA-N 300.309 -0.184 30 20 DBED C#CCCN1CCCN(C(=O)[C@@H](C)NS(=O)(=O)CC)CC1 1195926177 LNEASBBQXAFXDS-CYBMUJFWSA-N 315.439 -0.128 30 20 DBED CCn1cnc(C(=O)N[C@@H]2CN(CC#CCOC)C[C@H]2O)c1 1197833927 NLISIKVXMIPXLN-TZMCWYRMSA-N 306.366 -0.672 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)C(C)(C)NC(=O)NC)C1 1199036363 IGTSFUWYFYMKHG-NXEZZACHSA-N 318.805 -0.392 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)c2n[nH]c(C)c2O)CC1 1200085622 WVPOBLKXMFDYCN-UHFFFAOYSA-N 319.365 -0.633 30 20 DBED COCC(C)(C)C(=O)N1CCC(NCC(=O)NCC#N)CC1 1201618968 AONLCPAPKGHUBQ-UHFFFAOYSA-N 310.398 -0.121 30 20 DBED C#CCNC[C@@H]1CN(C(=O)CNC(=O)[C@@H](C)CC)CCCO1 1202088828 XWGGMQLNQFJPJA-UONOGXRCSA-N 309.410 -0.011 30 20 DBED C#CCCNC1CCN(C(=O)c2cn(C)c(=O)nc2O)CC1 1203684127 RORJWHJMUOOOTE-UHFFFAOYSA-N 304.350 -0.297 30 20 DBED CCS(=O)(=O)NCC(=O)N1C[C@H]2CC[C@H]1[C@H](NCC#N)C2 1204408996 SJHCPYGANLOHDH-TUAOUCFPSA-N 314.411 -0.582 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC(CNCC(N)=O)CC1 1206507272 DMLCFNRFNUNPLX-CQSZACIVSA-N 324.425 -0.229 30 20 DBED CCc1ocnc1C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1206698402 ITANTSFROLVZIE-GHMZBOCLSA-N 319.365 -0.073 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1 1207750455 WAZFBKZUEZWEEB-CYBMUJFWSA-N 313.361 -0.170 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)Cc2ccnn2C)C1 1207913953 HCAZLGHIKYFPBG-ZDUSSCGKSA-N 319.409 -0.155 30 20 DBED C=CCCCN[C@@H]1CCCN(C(=O)CNS(=O)(=O)NC)C1 1208757994 GYKRQDKNBNAKCZ-GFCCVEGCSA-N 318.443 -0.413 30 20 DBED CCn1cc(CC(=O)N2C[C@@H](NCC#CCOC)[C@H](C)C2)nn1 1215198353 AZNDAGSLJFNDLT-UKRRQHHQSA-N 319.409 -0.073 30 20 DBED CCC[C@@H](C(=O)N1C[C@@H](NCC#N)[C@H](C)C1)S(N)(=O)=O 1215224893 ZKAJGWCTANYLHS-MXWKQRLJSA-N 302.400 -0.596 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)c2ccco2)C1 1219100394 JMFACXQUGIUMLW-UTUOFQBUSA-N 305.334 -0.808 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2ncc(C)o2)C[C@@H]1O 1219613182 AFXVQBIVLGTRHW-OLZOCXBDSA-N 307.350 -0.316 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)CN(C)C(=O)C2CC2)C1 1219735996 CMHQTVAAWVRGFU-NEPJUHHUSA-N 315.801 -0.231 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)c2c[nH]c(C)cc2=O)C1 1220674570 ZXYKQTAIMTXYQO-HIFRSBDPSA-N 319.361 -0.892 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)N[C@@H]1CN(C(C)C)C[C@@H]1O 1221089650 KZPZIUWRGMTLBL-NEPJUHHUSA-N 312.414 -0.180 30 20 DBED C#CCC1(C(=O)N[C@@H]2CN(CC(=O)NC)C[C@@H]2O)CCCCC1 1221131769 KIVZQULPALMRRO-KGLIPLIRSA-N 321.421 -0.133 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2noc(CC)n2)C[C@@H]1O 1221141519 UNYYCJWWGRKGNC-UTUOFQBUSA-N 324.381 -0.116 30 20 DBED C[C@H]1COCC[C@@H]1C(=O)NC1CCN(CC(=O)NCC#N)CC1 1229058482 NOCHPFPOAZGBLE-JSGCOSHPSA-N 322.409 -0.121 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)C(=O)NCC2CC2)CC1 1229786477 VPRYFMWOMULGMT-UHFFFAOYSA-N 322.409 -0.605 30 20 DBED C=C[C@@](C)(O)CC(=O)N(C)C[C@H]1CCN1CCN1CCNC1=O 1233976265 DGAZFIMYQLMZKE-CZUORRHYSA-N 324.425 -0.129 30 20 DBED C#CC[C@@H](CO)NC(=O)c1ccc(CNS(C)(=O)=O)o1 1261251958 RLAHNHMVSQUNTA-VIFPVBQESA-N 300.336 -0.557 30 20 DBED C[C@@H](O)C[C@@H]1COCCN1C(=O)C(=O)N[C@@H]1CC[C@H](C#N)C1 1261449630 HEKWEODNCGEGHB-YVECIDJPSA-N 309.366 -0.207 30 20 DBED CC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)N1CCO[C@@H](C#N)C1 1261809978 PDGGUCJUTXKJBT-STQMWFEESA-N 322.365 -0.745 30 20 DBED C[C@@H](CCNC(=O)c1cc[n+]([O-])cc1)NCC(=O)NCC#N 1281690394 XTTZPIKZHIDLCC-NSHDSACASA-N 305.338 -0.942 30 20 DBED C#CCN(C)C(=O)C(=O)Nc1ccc(OC)c(OCC(N)=O)c1 1321466161 YLIVSSKPLIWFAO-UHFFFAOYSA-N 319.317 -0.411 30 20 DBED C#C[C@H](C)NC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 1324361877 JUIOQHCECHITDX-JTQLQIEISA-N 315.333 -0.906 30 20 DBED N#CCNC(=O)CNC(=O)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O 1324391620 OSDYLEXAXUPUFJ-BQBZGAKWSA-N 306.244 -0.801 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N(C)CC2CCOCC2)nn1 1326250258 LTGOPGDOMXECHL-UHFFFAOYSA-N 321.381 -0.035 30 20 DBED COCCNC(=O)Cn1cc(NC(=O)[C@H](N)CCCC#N)cn1 1329035145 GGBQFMDHSDEOIW-GFCCVEGCSA-N 322.369 -0.395 30 20 DBED C=C(C)Cn1c([C@@H]2CNC(=O)C2)nnc1N1CCN(C)C(=O)C1 1341833004 QATZWKGXIPKIBB-NSHDSACASA-N 318.381 -0.264 30 20 DBED Cn1cc(N2CC[C@H](NC(=O)C(=O)NCCCCC#N)C2)cn1 1341848438 DTECDKDOJXOUQD-LBPRGKRZSA-N 318.381 -0.075 30 20 DBED N#C[C@@]1(F)CCN(C(=O)C(=O)NCCCC(=O)NC2CC2)C1 1345201222 QFGUMVOAHCUIKE-AWEZNQCLSA-N 310.329 -0.374 30 20 DBED C=C(C)Cn1c(N2CCNC(=O)C2)nnc1[C@@]1(O)CCOC1 1345888549 VHKWJIJFYFMVQP-CQSZACIVSA-N 307.354 -0.602 30 20 DBED N#C[C@@H](C(=O)[C@H]1CC1(F)F)C(=O)N1CCS(=O)(=O)CC1 1347038675 JTUQPDIXTNTRJV-JGVFFNPUSA-N 306.290 -0.393 30 20 DBED C=C(C)CN(C)C(=O)C(=O)NC1CC(NS(C)(=O)=O)C1 1347889404 OTOLUMQWEDIXLR-UHFFFAOYSA-N 303.384 -0.783 30 20 DBED C=CCOCCNC(=O)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1 1350573829 QFBUEVOXTZBNFV-LBPRGKRZSA-N 321.381 -0.566 30 20 DBED C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)NCc1ccnc(C#N)c1 1362766146 LYLPOBCOBSHNLT-ZANVPECISA-N 302.334 -0.155 30 20 DBED C[C@H](C(=O)N1CCN(Cc2cn[nH]c2)CC1)n1cnc(C#N)n1 1363090666 MLVBCCJCFJRQBT-LLVKDONJSA-N 314.353 -0.222 30 20 DBED Cn1cc(C[C@H](CO)NS(=O)(=O)CC2(CC#N)CC2)cn1 1364869271 INJXDBWVSGVMKV-GFCCVEGCSA-N 312.395 -0.063 30 20 DBED COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N1CC[C@](F)(C#N)C1 1365230050 OCSSRBZEJFSFPL-RVBZMBCESA-N 314.317 -0.300 30 20 DBED COC(=O)C1(C#N)CCN(C(=O)N[C@@H]2CC(=O)N(C)C2)CC1 1365565328 MMCBYBYKHBPLDI-SNVBAGLBSA-N 308.338 -0.295 30 20 DBED Cn1nnnc1CNC1(CNC(=O)c2cc(C#N)c[nH]2)CCC1 1368461699 GIRQSIGULFPSNH-UHFFFAOYSA-N 314.353 -0.148 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CCCN(C(=O)CN2CCOCC2)C1 1387320614 HGMTWKKRLBRYOB-KGLIPLIRSA-N 322.409 -0.072 30 20 DBED C[C@H](CNC(=O)[C@H](C)C#N)NC(=O)[C@@H]1Cc2cncn2C(=O)N1 1389249288 XESSEWVFBSIBBJ-KKZNHRDASA-N 318.337 -0.854 30 20 DBED Cc1c(CCC(=O)NC[C@@H](O)CNC(=O)[C@@H](C)C#N)cnn1C 1392117693 PJZVVNOBXZSRPP-GXFFZTMASA-N 321.381 -0.586 30 20 DBED N#Cc1cc(C(=O)N2CC[C@@H]2CNC(=O)CCCC(N)=O)c[nH]1 1400451346 PGRAMCMTFKIICY-GFCCVEGCSA-N 317.349 -0.127 30 20 DBED CC(C)C[C@@H](CNC(=O)[C@@H](C)C#N)NC(=O)Cn1ncnn1 1416511132 NBQPTBWEXRIMJH-QWRGUYRKSA-N 307.358 -0.520 30 20 DBED C[C@H](C#N)C(=O)N(C)C1CCN(C(=O)c2c[nH]c(=O)cn2)CC1 1427342091 XDOVLAPIGXQFIP-SNVBAGLBSA-N 317.349 -0.007 30 20 DBED CNC(=O)NCC(=O)N1CC[C@@H](CN(C)C(=O)[C@H](C)C#N)C1 1430075878 GLLBEBLCQFRTIM-MNOVXSKESA-N 309.370 -0.618 30 20 DBED CCCCS(=O)(=O)CC(=O)N(C)CCNC(=O)[C@@H](C)C#N 1431478711 IPFMYOHKTMBXMJ-NSHDSACASA-N 317.411 -0.064 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1cnn(C)c1Cl 1431571405 RYUFBHDECHWDMV-YUMQZZPRSA-N 313.745 -0.560 30 20 DBED C=C(Cl)CN1CC(O)(CNC(=O)c2ccc(=O)n(C)c2)C1 1484280943 LZCKTFCJKUQHIY-UHFFFAOYSA-N 311.769 -0.086 30 20 DBED C[C@@H]1CN2CCN1C[C@H]2C(=O)NCc1ccc(C(=O)NO)cc1 1528349526 WVMVJMRKADCLSN-RISCZKNCSA-N 318.377 -0.190 30 20 DBED COC(=O)NCC(=O)N1CC[C@@H](CN(C)C(=O)[C@@H](C)C#N)C1 1530136177 PZZWWJWGOIOLKW-QWRGUYRKSA-N 310.354 -0.191 30 20 DBED CC[C@H](CNC(=O)[C@H]1CCC(=O)N1)NC(=O)c1c[nH]c(C#N)c1 1531120141 VSRGOETWVADSSS-ZYHUDNBSSA-N 317.349 -0.210 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](C)CNc1ccc(-c2nn[nH]n2)nn1 1573585555 SFZTZCATVYADCZ-JGVFFNPUSA-N 301.314 -0.267 30 20 DBED Cc1c(C(=O)N[C@@H]2CN(C(=O)O)C[C@@H]2CO)cnn1CCC#N 1574114833 ZWDYXBJZXGMEEB-ZYHUDNBSSA-N 321.337 -0.194 30 20 DBED CC(C)Cc1nnc(N2CCO[C@H](C#N)C2)n1CC1(N)COC1 1575667268 XBLVGIGPPFAPHX-GFCCVEGCSA-N 320.397 -0.067 30 20 DBED C=CCN1CC[C@@H](OC(=O)c2cccn(CC(=O)O)c2=O)C1=O 1588465598 VJUZRLFXWRAKDX-LLVKDONJSA-N 320.301 -0.123 30 20 DBED C#Cc1cccc(NC(=O)NC(=O)CN[C@@](C)(CO)C(=O)O)c1 1588524835 UXSOHYVZCKBOIO-HNNXBMFYSA-N 319.317 -0.259 30 20 DBED N#Cc1nc(NC(=O)[C@@H]2C[C@]23CCOC3)[nH]c1-c1nn[nH]n1 1592683719 XRPNFNOHNRHXNC-QTTZVWFDSA-N 300.282 -0.173 30 20 DBED CO[C@@H]1CCN(C(=O)[C@H](C)n2cnc(C#N)n2)[C@@H](C(=O)O)C1 1599121731 ZLFDIHAWJOXHML-IVZWLZJFSA-N 307.310 -0.199 30 20 DBED C#CCN(CC(=O)N[C@H](CO)C(=O)O)C(=O)OC(C)(C)C 1602715507 KSXJIBVIMIXJJQ-SECBINFHSA-N 300.311 -0.582 30 20 DBED C[C@]1(C#N)CN(C(=O)C(=O)N2CCC[C@@H](C(=O)O)C2)CCO1 1603290901 YOTGUNHCSUNKSS-YGRLFVJLSA-N 309.322 -0.549 30 20 DBED CN(CCNS(C)(=O)=O)c1c(C#N)cccc1-c1nn[nH]n1 1604771952 YECXBEABJVLDNS-UHFFFAOYSA-N 321.366 -0.276 30 20 DBED Cc1c(C(=O)NC[C@@H](NCC(=O)NCC#N)C2CC2)cnn1C 1752452908 VWTVKLMPDAPJRP-CYBMUJFWSA-N 318.381 -0.534 30 20 DBED C#CCNC(=O)CN[C@@H](C)CNC(=O)c1ccnn1C(C)C 1752875446 UFHRVCUYSQAICY-LBPRGKRZSA-N 305.382 -0.079 30 20 DBED C=CCNC(=O)NC(=O)CN[C@@H](C)CNC(=O)c1cncn1C 1752883466 HZAKOMTVDKMIER-JTQLQIEISA-N 322.369 -0.860 30 20 DBED C=CCNC(=O)NC(=O)CN(C)CCNC(=O)c1ccon1 1753043021 MFBYDICWLPBBOT-UHFFFAOYSA-N 309.326 -0.652 30 20 DBED C#CCNC(=O)CN[C@H](CC)CNC(=O)c1cnn(C)c1C 1753467678 WYWQPZROEMVTFV-GFCCVEGCSA-N 305.382 -0.424 30 20 DBED C=CCNC(=O)[C@@H](C)NC/C=C\CNC(=O)c1cnn(C)c1 1754094300 NEPNKAGOVUTOOE-FOQNGQEVSA-N 305.382 -0.014 30 20 DBED C=CCn1cc(C(=O)N[C@@H](C)CN[C@H](C)C(=O)N(C)C)nn1 1754286563 PSSWCUMPUCNBKR-WDEREUQCSA-N 308.386 -0.351 30 20 DBED CC(=O)NCCOCCN1CC(N(C)C(=O)C#CC2CC2)C1 1754574736 CFYWMVCLAVTCRO-UHFFFAOYSA-N 307.394 -0.305 30 20 DBED COC1CC(C(=O)N2CC[C@@](C)(CNCC(=O)NCC#N)C2)C1 1754698154 JNNKHIGHGNNASP-ZUEPYMLJSA-N 322.409 -0.121 30 20 DBED C#CCNC(=O)CN[C@@H](C)[C@H]1CCN(C(=O)c2ccnnc2)C1 1754798671 FWGORYVBZBQRSK-JSGCOSHPSA-N 315.377 -0.334 30 20 DBED C[C@@H]1CN(C(=O)C2=COCCO2)C[C@@H]1CNCC(=O)NCC#N 1754809530 UPLPXZBSYKFSRP-NEPJUHHUSA-N 322.365 -0.802 30 20 DBED C#CCN[C@]1(CO)CCCN(C(=O)c2ccc(=O)n(C)c2)C1 1755086072 PMNADLXYNDKYFG-MRXNPFEDSA-N 303.362 -0.425 30 20 DBED C#CCCCC(=O)N1CCOC2(CCN(CC(N)=O)CC2)C1 1755171031 HUQFINXXQWZNAF-UHFFFAOYSA-N 307.394 -0.031 30 20 DBED C=CCOCCN1CCC(CO)(NC(=O)c2cnon2)CC1 1755181702 YGLMJXBRHIHQPD-UHFFFAOYSA-N 310.354 -0.171 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@H](C)CNC(=O)C(C)(C)C(N)=O 1755302437 BMMZSNBCTRHRRN-GHMZBOCLSA-N 310.398 -0.928 30 20 DBED COCC#CCNC[C@@H](C1CC1)N(C)C(=O)c1nnn(C)n1 1755563799 DPWSWUJYRSXNRG-LBPRGKRZSA-N 306.370 -0.700 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H](CO)CNC(=O)Cc1ccc(C)o1 1755625635 OPQCKMZWMHKRHI-QWHCGFSZSA-N 321.377 -0.665 30 20 DBED CCn1cccc1C(=O)N(C)C[C@@H](O)CNCC(=O)NCC#N 1755796468 PWSPNKGYPJITOO-LBPRGKRZSA-N 321.381 -0.830 30 20 DBED C#CCCN(C)C[C@@H](O)CN(C)C(=O)c1cc(OC)ncn1 1755800429 IGIZUHWPTIFBLS-GFCCVEGCSA-N 306.366 -0.127 30 20 DBED C#Cc1ccc(C(=O)NCCN(CCOC)[C@@H](C)C(N)=O)cn1 1755841518 MZZILELUAYEIIQ-LBPRGKRZSA-N 318.377 -0.385 30 20 DBED O=C(C#CC1CC1)N[C@H]1C[C@H](CNC(=O)[C@H]2CCNC2=O)C1 1756251341 XGWKZZVMJCWIAD-AVGNSLFASA-N 303.362 -0.453 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H](O)CN(C)C(=O)c1[nH]cnc1C 1756670359 XGQDAONQELRSLU-VXGBXAGGSA-N 322.365 -0.694 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CN(C(=O)c3nc[nH]n3)C[C@H]21 1756958050 FWTRSMISJUGMEJ-SDDRHHMPSA-N 317.349 -0.484 30 20 DBED N#CCSCC(=O)N[C@@H]1CCN(C(=O)c2cc[nH]c2)C[C@@H]1O 1757563109 SSNOIFFMQPPNIV-NEPJUHHUSA-N 322.390 -0.037 30 20 DBED CC(C)[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC#N 1795077647 SGTGTAWKGHMQBD-ZMJPVWNMSA-N 309.366 -0.493 30 20 DBED CCC[C@H](C#N)NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 40363987 HGXKZZBTDNFUPV-MRVPVSSYSA-N 300.340 -0.945 30 20 DBED N#Cc1cnn(C(=O)c2ccc(CS(N)(=O)=O)cc2)c1N 195448999 KAPDJTBUKFZMML-UHFFFAOYSA-N 305.319 -0.186 30 20 DBED CN(CC(=O)N1CCOC[C@@H]1C#N)c1ncnc2nc[nH]c12 267239456 XNWGELMHIOSARX-VIFPVBQESA-N 301.310 -0.460 30 20 DBED C=CCN1CC[C@H](N(C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1=O 281222132 DUYVEXFNKTXQFC-OLZOCXBDSA-N 323.353 -0.129 30 20 DBED C[C@@H](O)CN(C(=O)C(=O)NCc1cccc(C#N)c1)[C@H](C)CO 283898131 HSUYIXYZXFUATB-VXGBXAGGSA-N 319.361 -0.235 30 20 DBED Cc1noc([C@H]2CCCN2c2c(C#N)c(=O)n(C)c(=O)n2C)n1 286684177 YNXZNDPIXZPPEU-SNVBAGLBSA-N 316.321 -0.011 30 20 DBED COCCN1CCN(S(=O)(=O)c2ccc(C#N)o2)CC1=O 287939943 VTFHCJHUPQWEMD-UHFFFAOYSA-N 313.335 -0.369 30 20 DBED N#Cc1cncc(S(=O)(=O)NC[C@@H](CC(=O)O)C(=O)O)c1 290702082 SIASYGFDOAZHMA-MRVPVSSYSA-N 313.291 -0.593 30 20 DBED C=C[C@@H](CO)NC(=O)N[C@H]1CCCN(c2cnn(C)c2)C1=O 290997378 KXWPEZLFCXJWSL-JQWIXIFHSA-N 307.354 -0.238 30 20 DBED C=CCCN(C)C(=O)C(=O)N1CCN(CC(=O)NC(C)C)CC1 297871838 PFNYOWSTEYMLBT-UHFFFAOYSA-N 324.425 -0.310 30 20 DBED C[C@](O)(C/N=C(/O)CN1CCN(S(C)(=O)=O)CC1)C1CC1 329924354 UXUPBGLFMKEKNG-ZDUSSCGKSA-N 319.427 -0.319 30 20 DBED Cc1cc(N2CC[C@@H](/N=C(/O)N[C@@H]3[C@H]4COC[C@H]43)C2=O)n(C)n1 329982254 AABUIOWHYDGKLH-XZUYRWCXSA-N 319.365 -0.018 30 20 DBED COCC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)nc2)CC1 330407090 IRFOLHOEWTWGSG-UHFFFAOYSA-N 324.362 -0.567 30 20 DBED CN1CCC[C@@H](N(C)S(=O)(=O)N2CCO[C@@H](C#N)C2)C1 337053424 AJYUFVGSPBDRAG-NEPJUHHUSA-N 302.400 -0.518 30 20 DBED CCC(CC)[C@H](C(=O)NCC(=O)NCC#N)N1CCOCC1 343499399 CXUGIAHLQPWIDX-CQSZACIVSA-N 310.398 -0.121 30 20 DBED N#CCNC(=O)CNC(=O)COc1ccc2c(c1)CCC(=O)N2 343507224 MWUSCTYFHZPTPY-UHFFFAOYSA-N 316.317 -0.294 30 20 DBED N#CCNC(=O)CNS(=O)(=O)c1cnn(-c2ccccc2)c1 352539219 VMCJORXONKXCJM-UHFFFAOYSA-N 319.346 -0.210 30 20 DBED C=C(C)COCCNC(=O)N(C)C[C@@H](O)CN1CCOCC1 355419606 MXXDMQBDOPDGIM-CQSZACIVSA-N 315.414 -0.086 30 20 DBED COCCN1C[C@@H](C(=O)NC[C@H]2CCCN(CC#N)C2)CC1=O 359433074 VPZLAODTZRVDPR-KGLIPLIRSA-N 322.409 -0.167 30 20 DBED C=CCOC[C@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)C(=O)OC 360733946 DGMGILDCRSKGGF-JTQLQIEISA-N 312.282 -0.348 30 20 DBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1nn[nH]n1 360981544 MLWLJTDUSYSKHW-SSDOTTSWSA-N 321.322 -0.623 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1CC[C@@H](S(=O)(=O)NC)C1 372157409 PJQWIGIVYGVADH-VHSXEESVSA-N 318.399 -0.990 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCN2C(=O)OC[C@@H]2C1 374463288 UHDFGTPWWLAYNQ-QWRGUYRKSA-N 316.383 -0.151 30 20 DBED C=CCN1CC[C@@H](N2CCC[C@@H](C(=O)N3CCNCC3)C2)C1=O 420282587 BRMNYCTUUXHJCC-HUUCEWRRSA-N 320.437 -0.083 30 20 DBED C=CCOC[C@@H](NC(=O)C(C)(C)S(C)(=O)=O)C(=O)OC 435947470 FFQJTIOYUHOUNH-SECBINFHSA-N 307.368 -0.330 30 20 DBED COCC(=O)NC1CN(C(=O)CNc2cccc(C#N)c2)C1 487308950 AJQJRYPNLQNLAG-UHFFFAOYSA-N 302.334 -0.056 30 20 DBED C#C[C@H](C)N(C)S(=O)(=O)CCCS(=O)(=O)N(C)CC#N 491738191 WMFLMNUKFOOYSX-NSHDSACASA-N 321.424 -0.555 30 20 DBED C#C[C@H](CCC)NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 491767580 JALIIRPJSPVEJI-SNVBAGLBSA-N 317.349 -0.648 30 20 DBED COC(=O)CN1CCN(S(=O)(=O)CCCCC#N)CC1 494407253 SBLYXUCLOOHPLC-UHFFFAOYSA-N 303.384 -0.199 30 20 DBED CN1CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 550721913 RIEDAYHAFSTGDI-UHFFFAOYSA-N 322.390 -0.389 30 20 DBED Cc1nnc(CNS(=O)(=O)N2CCO[C@@H](C#N)C2)s1 582797760 YLLXHJKJFCLXMO-QMMMGPOBSA-N 303.369 -0.595 30 20 DBED CC[C@H]1COCCN1C(=O)C(=O)NC1CCN(CC#N)CC1 588125387 AERDDTZYXODIIH-ZDUSSCGKSA-N 308.382 -0.272 30 20 DBED CC(C)NS(=O)(=O)CCNC(=O)N1CC[C@@](O)(CC#N)C1 591936044 OKAHIJIQVKCZIY-LBPRGKRZSA-N 318.399 -0.626 30 20 DBED CC[C@H](C#N)C(=O)N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 593443436 ICJYIMCVLNHXAT-WOPDTQHZSA-N 315.395 -0.850 30 20 DBED N#CCCN1CCN(C(=O)CCCN2C(=O)CNC2=O)CC1 602211157 ZAMKLVNGWSNMSS-UHFFFAOYSA-N 307.354 -0.624 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCCC[C@H]1CNS(N)(=O)=O 615941134 NEJPGHUKDDYSRY-CMPLNLGQSA-N 305.400 -0.512 30 20 DBED C=CCCn1cc(C(=O)NCCCN(C)S(C)(=O)=O)nn1 644574323 OYQVSFCCBJQGNS-UHFFFAOYSA-N 315.399 -0.135 30 20 DBED CC[C@H](CC#N)N[C@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O 653757463 VBIXYSKXXPVIIE-RKDXNWHRSA-N 307.354 -0.481 30 20 DBED C#CCOCCN(C)S(=O)(=O)c1n[nH]c(C)c1C(=O)O 688027315 DOMPZYZZFKVXJF-UHFFFAOYSA-N 301.324 -0.313 30 20 DBED N#C[C@H]1CN(S(=O)(=O)c2cccc(-c3nn[nH]n3)c2)CCO1 737686690 ZGGMFWFBJRNIBE-JTQLQIEISA-N 320.334 -0.220 30 20 DBED C=CCNC(=O)COC(=O)c1cc(S(=O)(=O)NC)oc1C 751739965 JXSROBJVNWDMJQ-UHFFFAOYSA-N 316.335 -0.045 30 20 DBED CC(=O)N[C@@H]1CCCN(C(=O)Cn2ccc(C=NO)nc2=O)C1 762773059 PFOOBTXMGMJTCU-GFCCVEGCSA-N 321.337 -0.822 30 20 DBED COC[C@@H](NS(=O)(=O)CC1(C#N)CCCCC1)C(N)=O 772867835 PGTISPMOKQCURY-SNVBAGLBSA-N 303.384 -0.120 30 20 DBED C#CCN1CCN(C(=O)CN2CCN([C@@H]3CCOC3)CC2)CC1 773484346 VAYBUJZDLLEPLX-MRXNPFEDSA-N 320.437 -0.830 30 20 DBED C#CCOCCNS(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] 784452181 RNQDZHKEQGNCST-UHFFFAOYSA-N 302.312 -0.261 30 20 DBED COC(=O)C[C@@H]1CCC(=NNC(=S)NCC(N)=O)[C@@H]1C 794510634 VWARICDXIMYQAK-SFYZADRCSA-N 300.384 -0.099 30 20 DBED CC(C)[C@H](C#N)N1CCN(C(=O)CN[C@]2(C)CCOC2=O)CC1 810096563 QOMPYXVNNCWLCP-XJKSGUPXSA-N 322.409 -0.026 30 20 DBED C#CC[C@@H](CO)NC(=O)c1ccc([C@@]2(C)NC(=O)NC2=O)cc1 816674893 NCVPUBKDSFBOMR-BLLLJJGKSA-N 315.329 -0.145 30 20 DBED C[C@@](O)(CC(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[nH]1)C1CC1 824669979 JQVRFWFDVOLUHE-GFCCVEGCSA-N 302.298 -0.049 30 20 DBED CNS(=O)(=O)c1cc(C(=O)N[C@@H]2CNC[C@H]2C#N)c(C)o1 834480196 MLPKXYYQFKBFGO-PSASIEDQSA-N 312.351 -0.663 30 20 DBED C=CCONC(=O)c1cnc2c(c1C)c(=O)n(C)c(=O)n2C 837048682 WGKHHNJXJODAPZ-UHFFFAOYSA-N 304.306 -0.212 30 20 DBED C#CC[C@@H](NC(=O)CNS(=O)(=O)CCCC)C(=O)OC 837949214 BNXRTMBKJLINQG-SNVBAGLBSA-N 304.368 -0.613 30 20 DBED C#CCCOC(=O)N[C@@H]1CC(=O)N(CCN(C)CCOC)C1 867709032 DKXYSRKLXBXNEJ-CYBMUJFWSA-N 311.382 -0.085 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)C2(CN(C)C)CC2)CC1 874342980 QEILQTUCEBBFFX-UHFFFAOYSA-N 306.410 -0.778 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N1CCCC2(C1)OCCO2 875596714 RUQQGXKMEXMEQA-CYBMUJFWSA-N 324.377 -0.104 30 20 DBED C#CCCCS(=O)(=O)N(C)CC(=O)N1CCN(C)CC1 919312920 NIGAEHHUHKRICS-UHFFFAOYSA-N 301.412 -0.565 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](N(C)C(=O)C2CC(=O)NC(=O)C2)C1 939396624 KKGYSHJIWCKZEP-ONGXEEELSA-N 320.349 -0.742 30 20 DBED CO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1NC(=O)Cc1[nH]cnc1C 944222851 QYFMVCYMZYZYFY-OASPWFOLSA-N 319.365 -0.238 30 20 DBED Cc1cc(C(=O)NC[C@H]2CN(C(=O)[C@@H](C)C#N)CCO2)ncn1 944552879 NSMDLMXZOYYCJZ-JQWIXIFHSA-N 317.349 -0.098 30 20 DBED C[C@H]1CCCN(C(=O)C(N)=O)[C@H]1CNC(=O)c1ccc(C#N)[nH]1 945800872 OHDPLPBAJOQZMX-CABZTGNLSA-N 317.349 -0.271 30 20 DBED CN(C(=O)c1c[nH]c(C#N)c1)C1CN(C(=O)c2cnnn2C)C1 954106910 NSUBQUVXTDOUNB-UHFFFAOYSA-N 313.321 -0.389 30 20 DBED C#CCN1C[C@H](CNC(=O)c2ccc3c(c2)NC(=O)C3)[C@@H](O)C1 958080609 CJZULHCFEJPHLZ-ZFWWWQNUSA-N 313.357 -0.163 30 20 DBED C#CCCN1C[C@@H](O)[C@H](CNC(=O)c2cnn(CCF)c2)C1 958196292 SUOSHDSCFZUILF-TZMCWYRMSA-N 308.357 -0.102 30 20 DBED C=CCN1C[C@@H](O)[C@H](CNC(=O)c2ccnc3nc(C)nn23)C1 958586497 AIHQOSBSXJAWHM-DGCLKSJQSA-N 316.365 -0.359 30 20 DBED N#CCN1C[C@H](CNC(=O)c2ncoc2-c2ccon2)[C@@H](O)C1 958593895 CTOSIJYHSXZKLK-ONGXEEELSA-N 317.305 -0.124 30 20 DBED Cc1cnn(CC(=O)N(C)[C@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)c1 958674024 BCQXPONYPLMCFY-AVGNSLFASA-N 319.365 -0.619 30 20 DBED C=CCn1cc(C(=O)NC2[C@@H]3CN([C@@H](CC)C(N)=O)C[C@@H]23)nn1 961996716 YQBXHCHSFFEZQA-FOGDFJRCSA-N 318.381 -0.612 30 20 DBED C#Cc1ccc(C(=O)N2C[C@@H](C)[C@@H](NC(=O)C(N)=O)C2)cn1 966653882 SYPMVVYCQXRQBL-SKDRFNHKSA-N 300.318 -0.875 30 20 DBED C#CCN[C@@H]1CCN(C(=O)c2cccc(OCC(N)=O)c2)C1 968847740 MQYOSSZHJLERGM-CYBMUJFWSA-N 301.346 -0.012 30 20 DBED CCOc1nc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)co1 969038684 IYXCEJVJDXVOAT-KKZNHRDASA-N 322.321 -0.466 30 20 DBED C=CCCN1CCO[C@@]2(CCN(C(=O)[C@@H]3CN(C)C(=O)N3)C2)C1 972503571 GXQSEBJHUUODKL-BBRMVZONSA-N 322.409 -0.111 30 20 DBED C=CCCN1CCO[C@]2(CCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)C1 972553710 IMVUVBIPRLXMIW-DVOMOZLQSA-N 307.394 -0.013 30 20 DBED N#CCN[C@H]1CCC[C@H](NC(=O)CN2CCCS2(=O)=O)C1 981124643 LBVYISNPDWIGIT-RYUDHWBXSA-N 314.411 -0.438 30 20 DBED C#CCN1CCCN(C(=O)C2CC3(C2)CS(=O)(=O)C3)CC1 981446525 JMWZRLHTDGYADW-UHFFFAOYSA-N 310.419 -0.021 30 20 DBED C=CCn1cc(C(=O)NC2CN(C(=O)[C@@H]3CCCO3)C2)nn1 991672538 ALSURHWZQAYNTH-LBPRGKRZSA-N 305.338 -0.416 30 20 DBED CC#CCN1CCC[C@H](NC(=O)Cn2nc(C)n(C)c2=O)[C@H]1C 994332052 UBZFWQKAOSUKQQ-OCCSQVGLSA-N 319.409 -0.117 30 20 DBED CC#CCN1CCC[C@H](NC(=O)CN2CCN(C)C(=O)C2)C1 1007698208 ZGJOEWYKFQEXEO-AWEZNQCLSA-N 306.410 -0.636 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C(=O)[C@H]2CCCS2(=O)=O)CC1 1011216432 WFMIICOZEYHCNI-GHMZBOCLSA-N 313.379 -0.606 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1[C@@H]2CN(C(=O)COC)C[C@@H]12 1013315623 FPOVUUVRZNRZED-UPJWGTAASA-N 305.378 -0.697 30 20 DBED O=C1NC[C@@H](C(=O)N2CC3(CCN(C(=O)C#CC4CC4)C3)C2)N1 1019349338 IBMQGNYXYFDUGL-LBPRGKRZSA-N 316.361 -0.858 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(CCN(C(=O)C(N)=O)C2)C1 1019457493 RSYUZIZXYJECOQ-MNOVXSKESA-N 307.350 -0.876 30 20 DBED C=CCn1cc(C(=O)N[C@H]2C[C@H](NCC(=O)N3CCC3)C2)nn1 1020700317 NBQUGXNNDYHIRY-HAQNSBGRSA-N 318.381 -0.453 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1[C@@H]2CN([C@H](C)C(=O)NC)C[C@@H]21 1026056851 GFMLULCGUSXDPU-TVQXOTEMSA-N 307.394 -0.242 30 20 DBED CC#CCN1CC(NC(=O)c2ccc(=O)n(CCOC)c2)C1 1030603903 OBZRGFITAPXUHT-UHFFFAOYSA-N 303.362 -0.068 30 20 DBED CC#CCN1CC[C@H](N(C)C(=O)Cn2ccc(=O)n(C)c2=O)C1 1033125229 BLWMISXZNSCPDO-ZDUSSCGKSA-N 318.377 -0.897 30 20 DBED N#CCN1CCO[C@H](CNC(=O)c2cnc3cccnn23)C1 1035535647 JMDJQNHZCFEFSM-LLVKDONJSA-N 300.322 -0.317 30 20 DBED C=CCCn1cc(C(=O)NC[C@@H]2CN(CCOC)CCO2)nn1 1035536608 URXVYGVEYMNCRC-CYBMUJFWSA-N 323.397 -0.069 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2CN([C@@H](C)C(N)=O)CCO2)nc1 1035583185 MUOLBUHHBCHKOV-AAEUAGOBSA-N 316.361 -0.633 30 20 DBED C#CCN[C@@H]1CCN(C(=O)CN2CCCS2(=O)=O)C[C@H]1C 1036058563 RUHPRDHZNADMGX-CHWSQXEVSA-N 313.423 -0.518 30 20 DBED C#CCN[C@@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)C[C@H]1C 1036255490 CBRLKHYYKKBKDK-GHMZBOCLSA-N 314.349 -0.509 30 20 DBED Cc1ncn(C)c1C(=O)NC[C@@]1(O)CCN(C(=O)[C@H](C)C#N)C1 1040123336 IZRUUJZMMGWBSL-BMIGLBTASA-N 319.365 -0.419 30 20 DBED C=CCOCC(=O)N1CC[C@@](O)(CNC(=O)c2[nH]cnc2C)C1 1040276220 VGEGJOSGHCFEGC-OAHLLOKOSA-N 322.365 -0.386 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)c2nccs2)C1 1040682744 SVLMIESVVHZXIZ-TVQRCGJNSA-N 308.363 -0.004 30 20 DBED C[C@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)Cc2ccc[nH]2)C1 1040760904 ASOVEHDVPBELRB-ABAIWWIYSA-N 304.350 -0.204 30 20 DBED Cn1cc(C(=O)N[C@@H]2CN(c3nccnc3C#N)C[C@H]2O)cn1 1040939495 RYKBUKYSLQZCAM-VXGBXAGGSA-N 313.321 -0.939 30 20 DBED Cc1cc[nH]c1C(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1O 1041005681 JPBFGFLSHDVEDH-VXGBXAGGSA-N 312.333 -0.036 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)C2CCCC2)C1 1041118698 PSMKQXYMPPYFAD-LBPRGKRZSA-N 308.378 -0.096 30 20 DBED C#Cc1cncc(C(=O)N2CC(O)(CNC(=O)COC)C2)c1 1041160108 HMNBIVRMWLWNRR-UHFFFAOYSA-N 303.318 -0.988 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)CCn2cccn2)C1 1041539475 CTKBEJHVCSDQJI-UHFFFAOYSA-N 322.365 -0.835 30 20 DBED C=CCN1CC[C@@H]2CCN(C(=O)CN3C(=O)CN(C)C3=O)C[C@@H]21 1042346177 PPNGUWJVIMLDBJ-OLZOCXBDSA-N 320.393 -0.011 30 20 DBED CC(F)(F)C(=O)N1CC(O)(CNC(=O)c2cc(C#N)c[nH]2)C1 1042401701 QNKAUMSXIZRPEQ-UHFFFAOYSA-N 312.276 -0.155 30 20 DBED C=CCCOCC(=O)N1CC(O)(CNC(=O)c2ccn(C)c2)C1 1042544717 WSASNGQIFFQXKH-UHFFFAOYSA-N 321.377 -0.079 30 20 DBED O=C(NCC1(O)CN(C(=O)C#CC2CC2)C1)[C@H]1CCCCO1 1042569030 SOCZVJJRNDWJRF-CYBMUJFWSA-N 306.362 -0.342 30 20 DBED CC1(C)C[C@H]1C(=O)NCC1(O)CN(C(=O)CSCC#N)C1 1042593198 UBJNVLCQLQTTPT-JTQLQIEISA-N 311.407 -0.021 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2ncoc2C)C1 1043040512 UBDYTYAXJABUOH-NSHDSACASA-N 321.333 -0.676 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)C2(CC)CC2)C1 1043042925 YXGJGFHUGAAPHR-GFCCVEGCSA-N 308.378 -0.096 30 20 DBED C=CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2ccnn2C)C1 1043568717 BKUVAVGWZBXEDD-NSHDSACASA-N 322.365 -0.686 30 20 DBED Cn1nncc1C(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@@H]1O 1043924873 QGENAQWDXUFCIA-YPMHNXCESA-N 313.321 -0.939 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1044224847 CUQAGVQDKJJDHQ-QKFSQAGISA-N 319.361 -0.741 30 20 DBED C=C(C)CCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCC(=O)N2C)C1 1044930552 MAEWQEYSZBXYPT-LBPRGKRZSA-N 323.393 -0.347 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)c2c(C)cnn2C)C1 1044952857 BVSDSUPPEWTOJT-UHFFFAOYSA-N 322.365 -0.766 30 20 DBED C[C@H]1CCCN1CC(=O)NCC1(O)CN(C(=O)[C@H](C)C#N)C1 1046664535 IATZSJVSCSZSAL-NEPJUHHUSA-N 308.382 -0.680 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccn(CCOC)n2)C1 1047453372 VBGWITMMMHEWET-KBPBESRZSA-N 308.382 -0.167 30 20 DBED C=C(C)CN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCN(C(C)=O)C2)C1 1047609601 KPNUEFSFGVPOTK-ILXRZTDVSA-N 309.410 -0.066 30 20 DBED C=CCCC(=O)N(C)[C@H]1CN(C(=O)c2cn(CC)nn2)C[C@@H]1O 1048527924 RGPQNMIRQKAUHX-STQMWFEESA-N 321.381 -0.092 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)C2CCN(C)CC2)C[C@@H]1O 1049394794 NFYHLEUACXLSHT-XBFCOCLRSA-N 322.409 -0.482 30 20 DBED CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1c(O)nnc1O 1049867824 PRMZEMWXXJWLDS-VXGBXAGGSA-N 319.365 -0.222 30 20 DBED C#CCOCCC(=O)N1CC[C@@H]([C@H](C)NC(=O)CNC(C)=O)C1 1050728938 NXTSNUZNUFLJLV-GXTWGEPZSA-N 323.393 -0.484 30 20 DBED N#CCN1CCOC[C@H]1CNC(=O)[C@@H]1CCn2ccnc2C1 1050989997 ZUYXNGCMHRTUCP-CHWSQXEVSA-N 303.366 -0.214 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)c1nccnc1N)CCO2 1053195311 UTIUDUDFRAFBCK-UHFFFAOYSA-N 301.350 -0.391 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCC2(CN(CCO)C2)O1 1053610201 JKWULZLJCUWLCP-GJZGRUSLSA-N 321.421 -0.574 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)Cc3ccn(C)n3)CO2)C1 1053799251 QDUNPYNRMCPARA-AWEZNQCLSA-N 302.378 -0.055 30 20 DBED C=C(C)CN[C@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@H]1C 1054670535 ICLQWOHOTFCOCG-MNOVXSKESA-N 306.370 -0.610 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@](CO)(NC(=O)CCCC(N)=O)C1 1055996544 GFPKCACBBPXDNK-IAQYHMDHSA-N 324.381 -0.729 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@](CO)(NC(=O)c2ccnnc2)C1 1056153773 PMTYKZFNYLWBAY-NHYWBVRUSA-N 317.349 -0.280 30 20 DBED CN1C[C@@H](C(=O)N2CC[C@@H](N=c3cc[nH]cc3C#N)C2)CC1=O 1056805169 KVALQIAAGXOFFG-WCQYABFASA-N 313.361 -0.134 30 20 DBED C#CCNC(=O)CC(=O)NCCN(CCO)C(=O)/C=C/C1CC1 1057267850 JLECZOQKDCMBDL-AATRIKPKSA-N 321.377 -0.971 30 20 DBED C#CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)c1oncc1C 1057584102 FBTNWBUIAWQPOD-LBPRGKRZSA-N 323.349 -0.428 30 20 DBED N#Cc1nccnc1N1CCC(NC(=O)[C@@H]2CNC(=O)N2)CC1 1057934207 SNFMSYFMVVARLX-NSHDSACASA-N 315.337 -0.885 30 20 DBED CCn1nncc1C(=O)N[C@@H]1CCN(c2ccc(C#N)nn2)C1 1058353259 BIANMEUGUICUEH-LLVKDONJSA-N 312.337 -0.032 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)[C@H]1CCCCC(=O)N1 1058656643 HRKMBFUFRSWWHF-VXGBXAGGSA-N 324.381 -0.858 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)CCn1ccnc1 1058660517 BNUZFGZOVAJHIY-LBPRGKRZSA-N 307.354 -0.630 30 20 DBED N#Cc1cnc(NC[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)C2)cn1 1060972732 QZBVRBFGCKFGAP-ONGXEEELSA-N 315.337 -0.710 30 20 DBED C#CCOCCC(=O)N1CCOC[C@@H]1CNC(=O)C#CC1CC1 1061572509 XGHJHNSJILUTHO-HNNXBMFYSA-N 318.373 -0.217 30 20 DBED C=CCCCC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1CCC(=O)N1 1061831834 ZBWSJOBNBFAXCC-OLZOCXBDSA-N 323.393 -0.035 30 20 DBED COC(=O)NCC(=O)N1CCCC[C@@H]1CNC(=O)[C@@H](C)C#N 1062033912 WJCIURMXYVPSPN-WDEREUQCSA-N 310.354 -0.001 30 20 DBED CN(C(=O)[C@@H]1CCNC1=O)[C@H]1CCN(c2nccnc2C#N)C1 1063004958 STOBJXQSRXCCLT-WDEREUQCSA-N 314.349 -0.479 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(NC(=O)[C@@H]2COC(=O)N2)CCC1 1063041675 BIGAGAMWJKFWJA-MNOVXSKESA-N 323.349 -0.712 30 20 DBED C=CCOCC(=O)N1CCO[C@@H](CNC(=O)c2[nH]cnc2C)C1 1064972140 QHUHEEFWBACHKI-LBPRGKRZSA-N 322.365 -0.122 30 20 DBED C[C@]1(CN=c2cc[nH]cc2C#N)CCN(C(=O)CC(N)=O)C1 1065403199 RVNXYVZPBZDCRB-OAHLLOKOSA-N 301.350 -0.099 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@H](CNC(=O)CCc2cnn[nH]2)C1 1065556784 JTDQKWMMAXRPCR-ZYHUDNBSSA-N 320.353 -0.759 30 20 DBED CNC(=O)CC(=O)N(C)CCCN(C)C(=O)c1cc(C#N)c[nH]1 1067114347 ZKYRAZYNZMEBCV-UHFFFAOYSA-N 319.365 -0.057 30 20 DBED N#Cc1cccnc1N1C[C@H](CNC(=O)c2cccnn2)[C@@H](O)C1 1067678988 XODYSBZPJHJWIV-JSGCOSHPSA-N 324.344 -0.030 30 20 DBED Cc1cc(C#N)nc(N2C[C@@H](NC(=O)C(N)=O)C(C)(C)C2)n1 1068133304 FZSZFCIGEKQHAI-SNVBAGLBSA-N 302.338 -0.527 30 20 DBED Cn1cc(C(=O)NCC2[C@@H]3CN(c4ccc(C#N)nn4)C[C@@H]23)nn1 1068169741 RTOJVMYXBPFVOA-RYUDHWBXSA-N 324.348 -0.411 30 20 DBED Cn1ncc(C(=O)NCC2[C@@H]3CN(c4cncc(C#N)n4)C[C@@H]23)n1 1068178213 STTSWLFMVXOPRK-RYUDHWBXSA-N 324.348 -0.411 30 20 DBED C=CCCC(=O)N1CC2(C1)CN(C(=O)[C@@H]1CNC(=O)N1)CCO2 1068446508 YNHSRXAZLMDNHE-NSHDSACASA-N 322.365 -0.926 30 20 DBED CC(C)(C)C#CC(=O)NC[C@H]1CCC2(CN(C(=O)C(N)=O)C2)O1 1068572402 IFFTYBCBWPCAMH-LLVKDONJSA-N 321.377 -0.603 30 20 DBED C[C@@H]1[C@@H](N=c2cc[nH]c(C#N)n2)CCN1C(=O)c1cn(C)nn1 1068827192 DMQODMMDOYMQJM-ZJUUUORDSA-N 312.337 -0.386 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1COC2(C1)CN(C(=O)CSCC#N)C2 1069004120 TWJUCNOYJZJJMM-GHMZBOCLSA-N 322.390 -0.111 30 20 DBED C#CCCCCC(=O)NCC1(NC(=O)C(N)=O)CCOCC1 1070227777 RSBSWBNCFMDRCW-UHFFFAOYSA-N 309.366 -0.553 30 20 DBED CCc1nc[nH]c1C(=O)N1C[C@H](n2ccnn2)[C@H](NCC#N)C1 1070319010 WAPHZVJGNQKYCX-NEPJUHHUSA-N 314.353 -0.258 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@@H](NC(=O)c2ccon2)C1 1070636279 QLXRCUQSUMIRKJ-LLVKDONJSA-N 318.333 -0.465 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCC[C@@H](NC(=O)c2ncn(C)n2)C1 1070667560 JXWALPCIVRWGMB-ABAIWWIYSA-N 321.381 -0.137 30 20 DBED CNC(=O)NCC(=O)N[C@@H]1CCCN(C(=O)C#CC(C)C)C1 1070707057 UDPWZJKGTQPYPP-GFCCVEGCSA-N 308.382 -0.318 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)Cn2cncc2C)CC1 1070980250 XHPMDZUPLNLQQD-UHFFFAOYSA-N 317.393 -0.525 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)[C@@H]2CCOC[C@H]2C)CC1 1070996561 XOMDTSHXTBBFEN-HUUCEWRRSA-N 321.421 -0.057 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)[C@H]2CN(C)C[C@H]2C)CC1 1071000366 ZZGFAALDUAHDTO-CABCVRRESA-N 320.437 -0.532 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1C 1072772909 MASRCQLBFMDRGE-CHWSQXEVSA-N 319.365 -0.719 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(C(=O)CC(=O)NC)C[C@@H]1C 1073819813 JSMSKVOLFWUJAR-RYUDHWBXSA-N 311.382 -0.322 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CCN(C(=O)c2ccon2)CC1 1074496310 RQTPUKJMLFTFFG-SNVBAGLBSA-N 306.322 -0.082 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)COCCC=C 1076219839 DLGSDDOOEROILV-ZDUSSCGKSA-N 323.393 -0.270 30 20 DBED C=CCn1cc(C(=O)N[C@@H](C)CCNC(=O)CC(=O)NC)nn1 1076256767 PMIWTPDDULGHEQ-JTQLQIEISA-N 322.369 -0.775 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2ncoc2C(F)(F)F)C1 1077264510 YKCDIOATBLSEOP-RNFRBKRXSA-N 304.228 -0.008 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)Cc2c(C)nc(O)nc2O)C1 1077885974 JERRKWFCXDFGEM-GHMZBOCLSA-N 308.338 -0.914 30 20 DBED C#CCN[C@H]1C[C@H](NC(=O)Cn2nc(C)n(C)c2=O)C12CCC2 1078797190 HLEYPTKJPVCBIQ-STQMWFEESA-N 317.393 -0.460 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(N(CC)C(=O)CNC(C)=O)C1 1079226504 DHEAAVPRGIAHOH-OAHLLOKOSA-N 311.382 -0.491 30 20 DBED C=CCCC(=O)NC1(CO)CCN(C(=O)Cc2nc[nH]n2)CC1 1080768393 UFHHEDTYPCDAQO-UHFFFAOYSA-N 321.381 -0.217 30 20 DBED CCN(C)CCC(=O)NC1(CO)CCN(C(=O)[C@H](C)C#N)CC1 1081001005 KOECCYXCARLLQG-CYBMUJFWSA-N 324.425 -0.042 30 20 DBED C=C(C)CCC(=O)N1C[C@H](CNC(=O)CNC(C)=O)[C@@H](O)C1 1081206930 DIVKLFVTBWICJR-STQMWFEESA-N 311.382 -0.586 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)C2CN(C(C)=O)C2)C[C@@H]1O 1081335233 JCVJORRSVJKGIQ-OCCSQVGLSA-N 323.393 -0.634 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)CC(=O)NCC)C[C@@H]1O 1081335427 LEKPPUPEFBLBBL-NEPJUHHUSA-N 311.382 -0.586 30 20 DBED C=C(C)CCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cn(C)nn2)C1 1081453119 PYSBQXQVFXKSSM-YPMHNXCESA-N 321.381 -0.280 30 20 DBED Cc1c[nH]nc1C(=O)NC[C@H]1CN(C(=O)C#CC(C)C)C[C@H]1O 1081466201 PWUAWWYXRSENKK-QWHCGFSZSA-N 318.377 -0.073 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CN(C)C[C@@H](C)O1 1083119325 MOZGDWJINCIXTK-LXTVHRRPSA-N 307.394 -0.750 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CN(CC)CCO1 1083281013 QTMMMLCJIATFGL-ARFHVFGLSA-N 321.421 -0.358 30 20 DBED C=CCN1CC[C@@H]2CN(C(=O)CN3CCC(=O)NC3=O)[C@@H]2C1 1084761500 IXTFOWPKUXJIHD-VXGBXAGGSA-N 306.366 -0.353 30 20 DBED C=CCN1CC[C@@H]2CN(C(=O)[C@H]3CN(C(C)=O)CCO3)[C@@H]2C1 1084806345 KVAYEJCTTHFBRW-RBSFLKMASA-N 307.394 -0.048 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(c2nccnc2F)C[C@H]1O 1090489854 HFHQJKFCUZFBDJ-HBNTYKKESA-N 308.313 -0.680 30 20 DBED CCOCCCC(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1091081782 KXPIOCNHMCJMSS-OLZOCXBDSA-N 319.365 -0.169 30 20 DBED C#CCN1C[C@@H]2CN(C(=O)CC3CS(=O)(=O)C3)C[C@]2(C)C1 1091795205 NQOMFPYWRBBPDV-HIFRSBDPSA-N 310.419 -0.165 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)[C@@H]3COCCO3)c3nccn32)C1 1092343026 CCEGRGUXYKVPTJ-OLZOCXBDSA-N 316.361 -0.496 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@H]2CN(c3ccncc3C#N)C[C@H]12 1093265846 LRRWFXDDGCQMIE-STQMWFEESA-N 323.356 -0.356 30 20 DBED C#CCOCCC(=O)NC1[C@H]2CN(c3cnc(C#N)cn3)C[C@H]12 1093312113 UHDGLTSHHWGRFN-STQMWFEESA-N 311.345 -0.061 30 20 DBED C#CCCN1CC(OC2CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)C1 1093593298 CCWWDGFQLMKCAC-HNNXBMFYSA-N 319.405 -0.020 30 20 DBED CC#CCN1CC(n2cc(CNC(=O)c3ncn(C)n3)nn2)C1 1094288049 CPVVULWSDHJPHY-UHFFFAOYSA-N 314.353 -0.783 30 20 DBED N#Cc1ccc(NCCCNC(=O)C2CC(=O)NC(=O)C2)nc1 1094495504 JXXUDAVKTPZEOQ-UHFFFAOYSA-N 315.333 -0.076 30 20 DBED N#CCN1CC(N2C[C@@H](NC(=O)[C@@H]3CCC3(F)F)CC2=O)C1 1094748954 GXQGNVITNIXHPX-ONGXEEELSA-N 312.320 -0.043 30 20 DBED C#CCN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN1CC(=O)NC1=O)C2 1095015787 VJIJMQCALHVQFC-TUAOUCFPSA-N 304.350 -0.860 30 20 DBED CNC(=O)CC(=O)NC1CCN(c2nccnc2C#N)CC1 1095406931 ZLSMJIDBHXHCET-UHFFFAOYSA-N 302.338 -0.431 30 20 DBED CC(=O)N[C@H](C)C(=O)N[C@@H]1CCCN(c2ccc(C#N)nn2)C1 1096133971 AKSZMUYTAGBKKE-ZWNOBZJWSA-N 316.365 -0.042 30 20 DBED CSCC(=O)NCCN1CCN(c2ccc(C#N)nn2)CC1 1096263447 AEABAFCICGDLDA-UHFFFAOYSA-N 320.422 -0.051 30 20 DBED C[C@H](C#N)C(=O)N(C)CC(=O)N1CCN(c2ncccn2)CC1 1096909590 CXLORPDQASJBMG-GFCCVEGCSA-N 316.365 -0.257 30 20 DBED N#Cc1nccnc1N[C@H]1C[C@H](NC(=O)CCn2cnnn2)C1 1097055914 VAHVYLACZGRPTF-MGCOHNPYSA-N 313.325 -0.516 30 20 DBED C[C@H](C(=O)N[C@H]1C[C@@H](Nc2nccnc2C#N)C1)S(C)(=O)=O 1097264672 AQKLVSGYICGOTH-BBBLOLIVSA-N 323.378 -0.160 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H](C)Nc1nc(C)cc(C#N)n1 1097768554 MRWQYWIVGXNUJR-LLVKDONJSA-N 314.349 -0.287 30 20 DBED C[C@H](CNC(=O)CC1CS(=O)(=O)C1)Nc1nccnc1C#N 1098123592 FLPLSQXDIIELAX-SECBINFHSA-N 323.378 -0.300 30 20 DBED CCN1CCOC[C@@H]1C(=O)NC[C@H](C)Nc1cncc(C#N)n1 1098129126 VYNULMCSUGOJIU-WCQYABFASA-N 318.381 -0.014 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCN(C)C1=O)Nc1cncc(C#N)n1 1098193741 JJBABVGSWNNFNF-GXSJLCMTSA-N 302.338 -0.257 30 20 DBED COCC(=O)N1C[C@H]2CC[C@H]1[C@H]1CN(CC(=O)NCC#N)C[C@@H]21 1099380444 SKVGQRGFZLIOJY-RFGFWPKPSA-N 320.393 -0.559 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)c2cc(C)on2)[C@@H](O)C1 1099651622 WFFIDICIUMFMNG-AAEUAGOBSA-N 322.365 -0.550 30 20 DBED C#CCCCC(=O)N[C@@H]1CCN(CC(=O)N2CCCC2)C[C@H]1O 1099803798 DCWHBIYDWHDTFR-HUUCEWRRSA-N 321.421 -0.036 30 20 DBED N#CCN1CC[C@@H](NC(=O)C(=O)Nc2ccccc2)[C@H](O)C1 1099904137 QZEINJHKLRCTIX-CHWSQXEVSA-N 302.334 -0.300 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CCCN(C)C(C)=O)[C@@H](O)C1 1100092412 NEFPCMDXOFEMCH-CABCVRRESA-N 309.410 -0.180 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)c2cc(OC)no2)C1 1100258601 JGJXYEJMJJJLCV-UHFFFAOYSA-N 320.349 -0.469 30 20 DBED CN(CCNC(=O)c1nnc(O)nc1O)c1ccc(C#N)nc1 1100415646 BICUXFXXJWUXHG-UHFFFAOYSA-N 315.293 -0.584 30 20 DBED CCN(CCNC(=O)CNC(=O)C1CC1)c1ccc(C#N)nn1 1100456611 TUYSIVMNBDQBLV-UHFFFAOYSA-N 316.365 -0.183 30 20 DBED C#CCCNC1CC(CNC(=O)CCn2ncn(C)c2=O)C1 1100534045 KUJMSMGLCWCHEC-UHFFFAOYSA-N 305.382 -0.520 30 20 DBED CCc1ncoc1C(=O)NCC1CC(NCC(=O)NCC#N)C1 1100658342 YSLRFHSEBNUJKO-UHFFFAOYSA-N 319.365 -0.025 30 20 DBED N#Cc1nccnc1N1CCC[C@@H]1CNC(=O)Cn1cncn1 1100833662 YIZBGULKIVJHCL-LLVKDONJSA-N 312.337 -0.275 30 20 DBED COCC#CCN1C[C@@H](C)[C@H](CNC(=O)[C@@H]2COCCO2)C1 1101747522 VQCZLQLFQHLQAZ-KFWWJZLASA-N 310.394 -0.264 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@H]1CN(Cc2nnn(C)n2)C[C@H]1C 1101916758 NDMDBIRDXFADHS-LALPHHSUSA-N 322.413 -0.279 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)[C@@H](C)CNc1nccn2nnnc12 1104682774 CDJPEXSFZDIVRJ-QWRGUYRKSA-N 317.353 -0.184 30 20 DBED CC(C)[C@@H](CNC(=O)c1nnn(C)n1)Nc1cnc(C#N)cn1 1105265576 CZUOUIQOJVTASB-SNVBAGLBSA-N 315.341 -0.262 30 20 DBED CN(CCN(C)c1cnc(C#N)cn1)C(=O)c1nnn(C)n1 1105535077 JTLFJZGBZGQUIK-UHFFFAOYSA-N 301.314 -0.920 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)[C@H]2CCCCO2)C[C@H]1C 1106012415 JUNGVPKNSNOWDS-RBSFLKMASA-N 321.421 -0.011 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)C[C@H]2CCC(=O)N2)C[C@H]1C 1106755391 WMWDZSFGKXLKMV-RBSFLKMASA-N 321.421 -0.011 30 20 DBED CC(=O)N(C)CC(=O)NC/C=C\CN=c1cc[nH]c(C#N)n1 1107040425 ZVAIEZYEYBFGEZ-ARJAWSKDSA-N 302.338 -0.667 30 20 DBED C[C@H](CS(C)(=O)=O)C(=O)N1C[C@@H](C)[C@H](CNCC#N)C1 1107047997 BNALDZYKKHFJSP-IJLUTSLNSA-N 301.412 -0.125 30 20 DBED COC(=O)[C@@H]1C[C@H]1C(=O)NC/C=C\CN=c1cc[nH]c(C#N)n1 1107080322 LXRXEBLRCFZAAG-LVUHIJSRSA-N 315.333 -0.336 30 20 DBED C[C@@H](CC(=O)NC/C=C\CN=c1cc[nH]cc1C#N)NC(N)=O 1107350011 BRZFRWBHJFFLET-QUCGXOGASA-N 316.365 -0.094 30 20 DBED CC#CCN1CCO[C@@](C)(CNC(=O)[C@@H]2CC(=O)N(C)C2)C1 1107983322 ISFZPVZTQRAYBK-CJNGLKHVSA-N 307.394 -0.305 30 20 DBED COc1nccc(C(=O)NC[C@@]2(C)CN(CC#N)CCO2)n1 1108064857 NYYNOVXLXHQYQT-AWEZNQCLSA-N 305.338 -0.171 30 20 DBED C=CCN1CCO[C@](C)(CNC(=O)COCc2nncn2C)C1 1108314672 QGPAQVJVRBFPPJ-OAHLLOKOSA-N 323.397 -0.275 30 20 DBED Cn1cc(CCC(=O)NC[C@]2(C)CN(CC#N)CCO2)nn1 1108443367 LLVJWUQGLQNDGA-CQSZACIVSA-N 306.370 -0.522 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)COCC(F)F)CC2=O)C1 1108559298 RIYVWENANHGTNC-SNVBAGLBSA-N 317.336 -0.145 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)[C@H](OC)C(C)C)CC2=O)C1 1108569860 QOEMRSIDQDYOIO-IUODEOHRSA-N 307.394 -0.308 30 20 DBED C#CCCN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN1CCNC(=O)C1)C2 1108739354 YQTFPXIYZAGDRJ-KKUMJFAQSA-N 318.421 -0.589 30 20 DBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C1=COCCO1 1108892488 YMAMRVWAGPERSX-WOPDTQHZSA-N 320.349 -0.764 30 20 DBED C[C@H](CN(C)c1cncc(C#N)n1)NC(=O)[C@@H]1COC(=O)N1 1108926698 IUKMWGLKOWLSFJ-SCZZXKLOSA-N 304.310 -0.602 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1c[nH]c(=O)cn1 1109646561 BHUKGWXENWJRJE-DYEKYZERSA-N 316.361 -0.245 30 20 DBED O=C(C#CC1CC1)N[C@H]1[C@H]2C[C@H]1N(c1ccc3nnnn3n1)C2 1109701569 XNHOVQWVKNDKKR-RWSFTLGLSA-N 309.333 -0.374 30 20 DBED N#Cc1cncc(NC[C@@H](NC(=O)Cn2cncn2)C2CC2)n1 1109848910 WBNWSCOBIOYZGD-GFCCVEGCSA-N 312.337 -0.053 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cn(C)cn1 1110444176 VLEHMCFCWMUWKR-BZPMIXESSA-N 315.377 -0.495 30 20 DBED CNC(=O)CC(=O)NC1(C)CCN(c2cnc(C#N)cn2)CC1 1110584491 VGOSCTHMLVQZSY-UHFFFAOYSA-N 316.365 -0.041 30 20 DBED COc1nc(C)cc(N2C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)C#N)C2)n1 1111176699 OXQWDZVRGCFVDD-DLOVCJGASA-N 319.365 -0.039 30 20 DBED CNC(=O)CC(=O)N1C[C@@H](C)[C@@H](CNc2nccnc2C#N)C1 1111243059 AKDBBKQFSLKXPP-MNOVXSKESA-N 316.365 -0.009 30 20 DBED Cn1cncc1C(=O)N(CCO)CCNc1cncc(C#N)n1 1111526727 HXNGNWOGFWNRTI-UHFFFAOYSA-N 315.337 -0.372 30 20 DBED C[C@H]1CN(C(=O)CNC(N)=O)CC2(CCN(CC#N)CC2)O1 1111535484 OPDDCGXTJAMXTL-NSHDSACASA-N 309.370 -0.740 30 20 DBED C=CCCO[C@@H](C)C(=O)N1CCN(Cc2nnnn2C)CC1 1112676288 ICRZAYRXXODXKK-LBPRGKRZSA-N 308.386 -0.165 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)CCCn2cccn2)CC1 1113648334 GOQAFQHNMIUIHB-UHFFFAOYSA-N 318.381 -0.553 30 20 DBED C[C@H](CNC(=O)Cn1nccn1)N(C)c1cnc(C#N)cn1 1113737416 UEZPKUPAWBUBCG-SNVBAGLBSA-N 300.326 -0.419 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)c3cnc(C)cn3)[C@H]2C1 1113801382 SAIAHWJQYKFNTQ-RYUDHWBXSA-N 315.377 -0.253 30 20 DBED CN(C(=O)CN1C[C@H]2C(NC(=O)CSCC#N)[C@@H]2C1)C1CC1 1113890530 BROCAVGBYDRAEW-VXGBXAGGSA-N 322.434 -0.090 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@H]2CN(CCOC3CCC3)C[C@H]12 1114160457 YMDHKBVIVRZVNM-KBPBESRZSA-N 319.405 -0.259 30 20 DBED COCC#CCN1C[C@@H]2C(NC(=O)Cc3n[nH]c(C)n3)[C@H]2C1 1114244642 DNIXFAAXYVXGMH-RYUDHWBXSA-N 303.366 -0.648 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)[C@@H](C3CC3)N(C)C)[C@@H]2C1 1114409056 FTVSFOLTHYJQBQ-XJKCOSOUSA-N 320.437 -0.325 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)Cc3cnc[nH]3)[C@H]2C1 1114885199 KOJIOPYWRIKEFO-RYUDHWBXSA-N 303.366 -0.699 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)c3ccn(C)n3)[C@H]2C1 1115244074 ZYECEZGWAOUVKC-CIQGVGRVSA-N 317.393 -0.229 30 20 DBED CN(C(=O)CC(N)=O)[C@H](CN=c1cc[nH]cc1C#N)C1CC1 1115486453 KQGFNIHCLRZFBB-CYBMUJFWSA-N 301.350 -0.101 30 20 DBED CN(C)CCC(=O)NCC1(NCC(=O)NCC#N)CCCCC1 1115708070 MBLINRNOGFKXRL-UHFFFAOYSA-N 323.441 -0.013 30 20 DBED C#CCOCCNC(=O)C(=O)N[C@@H]1CCO[C@@]2(CCOC2)C1 1117526177 LNNIAFXCWKSELO-DOMZBBRYSA-N 310.350 -0.793 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)C2CCOCC2)nn1 1120985326 AZEOOFKTZRWCOI-GFCCVEGCSA-N 305.338 -0.336 30 20 DBED Cc1nnsc1C(=O)NC[C@H](CO)N=c1cc[nH]cc1C#N 1121055502 NGQPLHKUPFMPPQ-SNVBAGLBSA-N 318.362 -0.262 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)[C@H]2CCNC(=O)C2)nc1 1121312028 YBJLPVNVMWZKRY-RYUDHWBXSA-N 317.349 -0.632 30 20 DBED COC[C@H](C)C(=O)NC[C@H](CO)N=c1cc(C)[nH]cc1C#N 1121324717 PRZROOCBORSPDA-GXFFZTMASA-N 306.366 -0.145 30 20 DBED CCOCCOCC(=O)NC[C@@H](CO)Nc1ncccc1C#N 1121677166 NJCXLYCSAWSCNV-ZDUSSCGKSA-N 322.365 -0.105 30 20 DBED CCn1cnc(C(=O)NC[C@@H](CO)N=c2cc[nH]c(C#N)n2)c1 1121855317 VGWYUXWHCCNOCL-JTQLQIEISA-N 315.337 -0.811 30 20 DBED C[C@]1(C(=O)NC[C@H](CO)Nc2cnc(C#N)cn2)CCOC1 1121914161 KRNRUICNSIJKLM-RISCZKNCSA-N 305.338 -0.336 30 20 DBED N#Cc1c(F)cccc1N[C@@H](CO)CNC(=O)Cn1nccn1 1122098150 KKIDRCGFWCRPFC-SNVBAGLBSA-N 318.312 -0.122 30 20 DBED Cc1ncc(CC(=O)NC[C@@H](CO)N=c2cc[nH]cc2C#N)o1 1122189408 GILNUBZWQTYXSU-LBPRGKRZSA-N 315.333 -0.197 30 20 DBED COCCCNC(=O)[C@@H](C#N)C(=O)[C@H]1CCCN(C(N)=O)C1 1122708407 VUYWBXVJHJXTEN-QWRGUYRKSA-N 310.354 -0.361 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)CN2CCCC2=O)C1=O 1123341972 WQPSLFZYHZSBFM-LBPRGKRZSA-N 308.382 -0.899 30 20 DBED N#Cc1cncc(N2CC[C@@]3(NC(=O)CC(N)=O)CCC[C@@H]23)n1 1123394494 PSGSMDRORNXYAR-ABAIWWIYSA-N 314.349 -0.159 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)[C@@H](CC)OC 1124565725 BLMQLQZVZOSSHU-SNVBAGLBSA-N 300.359 -0.871 30 20 DBED CN(C[C@H](O)CNc1cnc(C#N)cn1)C(=O)c1n[nH]cc1F 1124714701 JQJMINVXWQSHGZ-SECBINFHSA-N 319.300 -0.245 30 20 DBED C[C@@H](C#N)C(=O)NCCN[C@H](C)C(=O)NC(=O)NC(C)(C)C 1124895320 FYBJZIXUGCAMMO-VHSXEESVSA-N 311.386 -0.135 30 20 DBED CNC(=O)NCC(=O)N(C)C1CC(N=c2cc[nH]c(C#N)n2)C1 1127088575 JMMVPZACDYBFPX-UHFFFAOYSA-N 317.353 -0.900 30 20 DBED CC[C@H](C)OCC(=O)N1C[C@H](n2ccnn2)[C@H](NCC#N)C1 1129778593 XNUNRYOMVXSZIS-XQQFMLRXSA-N 306.370 -0.042 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCNCC(=O)N[C@@H](C)C1CC1 1129790902 NEFQNVJGJYABPD-ZFWWWQNUSA-N 320.437 -0.296 30 20 DBED COCc1ccccc1C(=O)NCCNCC(=O)NCC#N 1130770992 APRCMBGJMGSGEY-UHFFFAOYSA-N 304.350 -0.208 30 20 DBED C#CCCN1C[C@H]2C[C@H]3CN(C(=O)[C@H](C)CC(N)=O)C[C@@]3(C1)O2 1131252520 TZTGXMQOPNDYBO-UMPJEAMMSA-N 319.405 -0.177 30 20 DBED C[C@H]1CC[C@H](NC(=O)CSCC#N)CN1Cc1nnn(C)n1 1131827103 VXKDPOJLZQRFRG-QWRGUYRKSA-N 323.426 -0.064 30 20 DBED C=CCCN1C[C@H](NC(=O)CNC(=O)CNC(C)=O)CC[C@H]1C 1132131590 GRYPOTYHUNXSMF-TZMCWYRMSA-N 324.425 -0.216 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@H]1OCCc2ccccc21 1132194619 XEBSUASQONQXNU-INIZCTEOSA-N 315.373 -0.244 30 20 DBED COCC#CCN[C@H](C)C[C@H](C)NC(=O)Cn1cnnc1O 1134134930 PLQJKXOXKPETOH-NEPJUHHUSA-N 309.370 -0.494 30 20 DBED C[C@@H](C[C@H](C)NC(=O)c1ccncn1)NCC(=O)NCC#N 1135746975 MCQXVXSQGYAQIX-QWRGUYRKSA-N 304.354 -0.397 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)CC(=O)NCC2CC2)C1=O 1147085381 ZDIJVOCHVRQDSA-CYBMUJFWSA-N 322.409 -0.605 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)C(=O)C(C)(C)C)C2 1147244043 AFLDXVYPOTYCJJ-UHFFFAOYSA-N 319.405 -0.115 30 20 DBED C#CCCN1CCC2(C1)CN(C(=O)CN(C)S(C)(=O)=O)C2 1147665051 FUCRFTRNXSDENP-UHFFFAOYSA-N 313.423 -0.565 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)c1c[nH]nc1C)C2 1148010885 LMZIANSRFDGMMC-UHFFFAOYSA-N 315.377 -0.385 30 20 DBED CC#CCN1CCCO[C@H](CNC(=O)C[C@H]2CCNC2=O)C1 1149853867 DVQDQVVPKFXCDO-ZIAGYGMSSA-N 307.394 -0.257 30 20 DBED C#CCCN1CCCO[C@H](CNC(=O)CCS(C)(=O)=O)C1 1149903257 MGWHZTMVYAUVBX-CYBMUJFWSA-N 316.423 -0.349 30 20 DBED C[C@H](CS(C)(=O)=O)C(=O)NC[C@H]1CN(CC#N)CCCO1 1150787348 MDLASKSFPGDJHS-NEPJUHHUSA-N 317.411 -0.602 30 20 DBED C=CCNC(=O)CN(CC)[C@H](C)CNC(=O)c1cnnn1C 1153064883 VBMDQTUNCQSARW-LLVKDONJSA-N 308.386 -0.443 30 20 DBED C=CCNC(=O)CNCCCNC(=O)c1cncc2nc[nH]c12 1158478889 CTRGOLWEYNMNAS-UHFFFAOYSA-N 316.365 -0.030 30 20 DBED C#CCN(C)C[C@H]1CCCCN1C(=O)C[C@H](NC(C)=O)C(N)=O 1158554363 HZJTYDYHZHZJGM-KGLIPLIRSA-N 322.409 -0.687 30 20 DBED Cn1ncc(C2CC2)c1C(=O)NCCCNCC(=O)NCC#N 1159694556 DAKSBWOMIQALBK-UHFFFAOYSA-N 318.381 -0.353 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)C[C@H]1CCC(=O)NC1 1159768707 BYGAJNGVIMBYSF-CHWSQXEVSA-N 322.409 -0.864 30 20 DBED C=CCNC(=O)CNCCCNC(=O)COCc1ncc(C)o1 1162277332 QBFXFTNXHUAKCK-UHFFFAOYSA-N 324.381 -0.102 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@H]1CCc2nn[nH]c2C1 1171063403 CZDFVNIOTVYBMQ-NSHDSACASA-N 320.397 -0.692 30 20 DBED C#CCNC(=O)CNCCCNC(=O)CCCC(=O)NCCC 1171512598 RVVCQNZROTZABZ-UHFFFAOYSA-N 324.425 -0.472 30 20 DBED C=CCOCCNC[C@]1(C)CN(C(=O)Cn2ncnn2)C[C@H]1C 1181533371 TYPHSUQRIDUCJY-UKRRQHHQSA-N 322.413 -0.050 30 20 DBED C=CCOCCCC(=O)N1CC[C@@H](NCC(=O)NCC#N)C1 1181890582 LMQKGAIBDMNOTI-CYBMUJFWSA-N 308.382 -0.201 30 20 DBED C[C@H]1CN(C(=O)c2ncc[nH]2)CC[C@@H]1CNCC(=O)NCC#N 1184311423 HOAKHBSCRKBUTI-NWDGAFQWSA-N 318.381 -0.263 30 20 DBED Cc1nc(C)c(C(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)[nH]1 1185716070 OYBOSDIKGLSKTH-LLVKDONJSA-N 304.354 -0.530 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)CN2CCCC2)C1 1187841951 GTEAMDOZWXFKFJ-ZIAGYGMSSA-N 308.426 -0.037 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@@H]2CCN(C(=O)c3cnn[nH]3)[C@@H]2C1 1188428369 RYGFYNDICHNLKZ-NTZNESFSSA-N 318.381 -0.358 30 20 DBED CN(CC(=O)NCC#N)[C@@H]1CCN(C(=O)[C@@H]2CCCOC2)C1 1189326998 KIQIUCZODCBYTH-CHWSQXEVSA-N 308.382 -0.415 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@@H]1CCN(C(=O)Cc2ccon2)C1 1189489289 IBPXNJBSFBKRDG-TZMCWYRMSA-N 318.377 -0.112 30 20 DBED N#CCNC(=O)CN1C[C@@H]2CCN(C(=O)Cc3ccco3)[C@@H]2C1 1189497735 HWIFIJHUWTWQFR-GXTWGEPZSA-N 316.361 -0.005 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC[C@H](N(C)CCS(C)(=O)=O)C1 1189918999 XZFLXPOTNIREAJ-GXTWGEPZSA-N 318.439 -0.109 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)C2CCN(C)CC2)C1 1192133379 ABRMKBPXKBKHOR-OAHLLOKOSA-N 320.437 -0.390 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(CC2CC(C)(C)C2)C[C@H]1O 1192395420 CUSKXAIAIJSPDY-ZIAGYGMSSA-N 321.421 -0.277 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(CC(=O)N(CC)CC)C[C@H]1O 1192503876 PUMNWLOOQGVRBA-ZIAGYGMSSA-N 309.410 -0.180 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2conc2CC)C[C@H]1O 1192891918 RYBSYXQVCCVFLS-NILFDRSVSA-N 321.377 -0.063 30 20 DBED Cn1cncc1CC(=O)N1CCCN(CC(=O)NCC#N)CC1 1197818219 YCWWWVQBUIJYAM-UHFFFAOYSA-N 318.381 -0.863 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)CNC(=O)C2CCCCC2)C1 1198353599 ZWYJKXBBMUQRFG-HUUCEWRRSA-N 321.421 -0.133 30 20 DBED N#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C2CCC=CCC2)C1 1198706372 GCPUDOLWLNONEU-ZIAGYGMSSA-N 320.393 -0.466 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)Cc2cccnc2)CC1 1200066232 XMEGESBBIGQPND-UHFFFAOYSA-N 314.389 -0.046 30 20 DBED N#CCNC[C@H]1CN(C(=O)c2cccc(C(N)=O)n2)CCCO1 1202182290 BAWVLYGRRXBPLX-NSHDSACASA-N 317.349 -0.475 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)COCCC=C)CC1 1204021925 IXNBIAJAKLPUCH-UHFFFAOYSA-N 307.394 -0.091 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CN[C@H](C)C(=O)NC(N)=O)CC1 1204811123 GBCTVTGRXNNCLD-VHSXEESVSA-N 309.370 -0.442 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)c2cccc(O)n2)C1 1207742661 WMRXQTHAGKAUNZ-LBPRGKRZSA-N 316.361 -0.269 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)Cn2nccn2)C1 1208230496 JPRTVYIVTQSSIO-GFCCVEGCSA-N 306.370 -0.839 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1209110630 CTFGKTVZLKPMKH-RMRHIDDWSA-N 307.394 -0.238 30 20 DBED CC(C)[C@H](C(=O)N1CCC[C@H](NCC(=O)NCC#N)C1)N(C)C 1209483684 AEPNTEWQKGSLPJ-DZGCQCFKSA-N 323.441 -0.207 30 20 DBED C=CCCN[C@@H]1CCCN(C(=O)CNC(=O)Cn2cncn2)C1 1211234096 UHMRVIKPQMANAA-CYBMUJFWSA-N 320.397 -0.449 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)CN(C)C(C)C)C1 1211268265 HMDZGSCOYFYIOR-AWEZNQCLSA-N 308.426 -0.343 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)C#CC(C)C)[C@H](OC)C1 1212241435 QVASDWVQQHPDDR-RBSFLKMASA-N 319.405 -0.401 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)Cc2ccc[nH]2)C[C@H]1C 1216801641 POMKXUWDHDXXQK-TZMCWYRMSA-N 302.378 -0.257 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)[C@H](C)NS(=O)(=O)CC)C1 1219669796 HTJWVUFPCRGSOH-TUAOUCFPSA-N 319.427 -0.948 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)CCC(C)(F)F)C1 1219893567 GXPTYSUUOINLLT-MNOVXSKESA-N 319.352 -0.115 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)CCCn2ccccc2=O)C1 1220139093 GEHYZKLBFJUSHV-KGLIPLIRSA-N 305.378 -0.024 30 20 DBED C=CCCCCCN1C[C@H](O)[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 1220236828 GWPZIMASEGIUIO-UPJWGTAASA-N 310.398 -0.425 30 20 DBED C=CCCCC(=O)N[C@@H]1CN([C@@H]2CCC(=O)NC2=O)C[C@@H]1O 1220246101 MRJXQOYUUIEXAH-UTUOFQBUSA-N 309.366 -0.691 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)COCCCOC)C1 1220710431 PEOWXNWFVZISOB-KGLIPLIRSA-N 316.398 -0.597 30 20 DBED C[C@H](NC(=O)C1CCCCC1)C(=O)N[C@@H]1CN(CC#N)C[C@@H]1O 1221058477 RVHCFGHCAJFYQG-YUTCNCBUSA-N 322.409 -0.244 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC(CNC(=O)CCOC)CC1 1222216827 KAFJRHZPEUQTOO-CYBMUJFWSA-N 309.410 -0.011 30 20 DBED C=CCNC(=O)CN1CCC(CNC(=O)[C@@H]2COC(=O)N2)CC1 1223012591 JVVARCDRIQHWBG-LBPRGKRZSA-N 324.381 -0.775 30 20 DBED C#CCNC(=O)CC(=O)N(C)C[C@@H]1CCN1Cc1n[nH]c(C)n1 1233811679 ZRYOQVRRUPRYJU-LBPRGKRZSA-N 318.381 -0.715 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)CCc1ncc[nH]1 1234009991 ACXKDHUQISVPJU-ZDUSSCGKSA-N 317.393 -0.376 30 20 DBED CN(C[C@H]1CCN1CC(=O)NCC#N)C(=O)Cc1ccn(C)n1 1234162143 OYDBFIVVCJPYEM-CYBMUJFWSA-N 318.381 -0.865 30 20 DBED CO[C@@H]1CCN(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1 1319016596 QFJLCLRQGFKDFO-LRZCVGBLSA-N 308.338 -0.057 30 20 DBED C=CCN(CCOC)C(=O)C(=O)Nc1cnn(CC(=O)NC)c1 1320710298 UXKOLUVXIZODNJ-UHFFFAOYSA-N 323.353 -0.771 30 20 DBED CN1CC[C@H](C(=O)NS(=O)(=O)c2ccccc2C#N)C1=O 1324121931 XNHBCDIUFSKJDG-SNVBAGLBSA-N 307.331 -0.159 30 20 DBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N(C)[C@H]1CCNC1=O 1324181833 QRHHVQFOCVVOBP-SRVKXCTJSA-N 309.366 -0.569 30 20 DBED CN(CC(C)(C)C#N)C(=O)C(=O)N1C[C@H](CO)OC(C)(C)C1 1325808077 DHEFFIYDPMLAFI-LLVKDONJSA-N 311.382 -0.007 30 20 DBED CCn1ncn(N=Cc2ccc(OC)c(OCC(N)=O)c2)c1=O 1326192272 GCEIYVAMUDXESC-UHFFFAOYSA-N 319.321 -0.180 30 20 DBED CN1CCN(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 1327833345 PZEYQGDQFSVBLL-SEYXRHQNSA-N 307.354 -0.530 30 20 DBED N#CCn1cc(NC(=O)C(=O)NC[C@@H](CO)CC2CC2)cn1 1328235562 LGWMFVKZUGZQPA-NSHDSACASA-N 305.338 -0.130 30 20 DBED C#CCOCCNC(=O)C(=O)NC[C@H]1CC(=O)N(C(C)(C)C)C1 1328392304 FMJFNSBFNPQOMP-GFCCVEGCSA-N 323.393 -0.484 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CCCN(C(=O)CC)CC1 1329617712 FSOVDKKUODWKIV-GFCCVEGCSA-N 311.382 -0.226 30 20 DBED CC(C)N[C@H]1CCCN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)C1 1332371789 IADNJSPUDVMZHU-BBRMVZONSA-N 322.409 -0.148 30 20 DBED CN(C)CC#CCNC(=O)Nc1cnn(CC(=O)N(C)C)c1 1334174024 SJFNXFRFEHHTEI-UHFFFAOYSA-N 306.370 -0.342 30 20 DBED C=CCn1c([C@H]2CNC(=O)C2)nnc1N1CC(=O)N(C)C[C@@H]1C 1338785293 GUBCRSLNSXMUPW-WDEREUQCSA-N 318.381 -0.266 30 20 DBED C#C[C@@H](NC(=O)N1CCN(C(=O)C(=O)O)CC1)[C@H]1CCCO1 1339714747 DENWTSXATPEKFT-GHMZBOCLSA-N 309.322 -0.894 30 20 DBED C/C(=C/C(=O)NCC#CCN(C)C)C(=O)NCC#CCN(C)C 1347143314 OZOFNCNONPSUBE-PFONDFGASA-N 318.421 -0.705 30 20 DBED C=CCOCCn1nnnc1N1CCN(CCOC)C(=O)C1 1352362704 QCUGXMJQUWFPKA-UHFFFAOYSA-N 310.358 -0.829 30 20 DBED C#CCN(CC)c1nnnn1C[C@H]1CC[C@H](C(=O)N(C)C)O1 1352613497 ZFDCSLBUTGCHFH-VXGBXAGGSA-N 306.370 -0.232 30 20 DBED C#CC[C@H](CO)NC(=O)NC(c1nccn1C)c1nccn1C 1354183423 BTRYINKNFBIOIM-LLVKDONJSA-N 316.365 -0.074 30 20 DBED C#CCN1CCCC[C@H]1c1nnc(N2CCNC(=O)C2)n1C 1355641784 ZXIANRRRDXHSSI-LBPRGKRZSA-N 302.382 -0.089 30 20 DBED N#Cc1cn(CC(=O)Nc2ccn(CC(F)F)n2)c(=O)nc1O 1362037102 ZSBORPLJGQGRAI-UHFFFAOYSA-N 324.247 -0.079 30 20 DBED C[C@@H](C(=O)N1CCC(OCC(N)=O)CC1)n1cnc(C#N)n1 1362188764 PANGOXDAAHSWFB-VIFPVBQESA-N 306.326 -0.796 30 20 DBED COC[C@]1(C)CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)C1 1362741865 OIGUJGYJLBQNSE-CQSZACIVSA-N 306.322 -0.294 30 20 DBED N#Cc1ccc(C(=O)N2CCS(=O)(=O)[C@@H]3COCC[C@H]32)nc1 1363248010 JKLNDSVPLVIWLJ-CHWSQXEVSA-N 321.358 -0.019 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@H]2CNC(=O)Cn2cncn2)[nH]1 1410651243 KXQFKKYTWIGMQQ-NSHDSACASA-N 313.321 -0.491 30 20 DBED CCc1nnc(CNC(=O)Cn2cc(C#N)c(O)nc2=O)s1 1413048652 KIIDWGXHHVQCDW-UHFFFAOYSA-N 320.334 -0.449 30 20 DBED C[C@H](C#N)C(=O)NC1CC2(CC(NC(=O)Cn3ncnn3)C2)C1 1427340382 YIMUJSKUCZSGEI-NJQQVTKISA-N 317.353 -0.624 30 20 DBED C[C@H]1C[C@H](C(=O)NCCn2cc(C#N)c(O)nc2=O)CCC1=O 1434205695 BWGHFUPAPMGANX-VHSXEESVSA-N 318.333 -0.058 30 20 DBED CC(C)[C@@H](O)C(=O)N1CCN(CCN(C)C(=O)[C@@H](C)C#N)CC1 1456073177 RJJFTLPFAAJUGH-UONOGXRCSA-N 324.425 -0.234 30 20 DBED N#CCNC(=O)CN1CC[C@H](NC(=O)CCc2cnccn2)C1 1490567919 QUIXRHCZZZLZMZ-ZDUSSCGKSA-N 316.365 -0.761 30 20 DBED COCCN(CCNC(=O)Cc1nc[nH]n1)C(=O)[C@H](C)C#N 1511873092 WOYCUHZEWNEVGB-SNVBAGLBSA-N 308.342 -0.902 30 20 DBED COCC#CCN[C@H]1CCN(C(=O)C(C)(C)CNC(C)=O)C1 1567104646 AMOBCRDSMAFHKN-AWEZNQCLSA-N 309.410 -0.011 30 20 DBED N#Cc1cc(CS(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)O)cs1 1571131882 WXTPIBGMVJLRPX-PSASIEDQSA-N 316.360 -0.031 30 20 DBED C#CCOCCC(=O)NCC1(NC(=O)[C@H]2C[C@H]2C(=O)O)CC1 1573311330 MPLYGVSAFUBGGJ-WDEREUQCSA-N 308.334 -0.488 30 20 DBED CC(C)C#CC(=O)NC[C@H](C)N=c1cc[nH]c(-c2nn[nH]n2)n1 1573946493 BCJSGQVQKTZOAA-JTQLQIEISA-N 314.353 -0.345 30 20 DBED C[C@@H](Nc1cnc(-c2nn[nH]n2)c(C#N)n1)[C@@H]1CN(C)CCO1 1575440189 WBBSINFYNWJEPT-SCZZXKLOSA-N 315.341 -0.341 30 20 DBED N#Cc1ncc(N[C@H]2CCCC[C@H]2C(N)=O)nc1-c1nn[nH]n1 1581883080 NZBPDCUZLGABPR-SFYZADRCSA-N 313.325 -0.016 30 20 DBED C#C[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2CCO[C@H]2C(=O)O)C1 1588383047 XHHBACJMODUWEA-IJLUTSLNSA-N 308.334 -0.536 30 20 DBED C=CCOC[C@H](NC(=O)c1ccc2c(c1)COB2O)C(=O)O 1588861589 IEPYORLOYNQWNP-LBPRGKRZSA-N 305.095 -0.710 30 20 DBED COC(=O)[C@@H]1CC[C@@H](C(=O)O)N(C(=O)Cn2cnc(C#N)n2)C1 1598775179 SFXIXDBGFOLFOB-BDAKNGLRSA-N 321.293 -0.985 30 20 DBED C#C[C@@H](NC(=O)C(=O)Nc1ccn(CC(=O)O)n1)[C@@H]1CCCO1 1602672576 OFJKAUPLCAZEEW-ZJUUUORDSA-N 320.305 -0.797 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NS(=O)(=O)CCCC(=O)O 1602755369 QQHVHPNTQQKAHE-JTQLQIEISA-N 320.367 -0.232 30 20 DBED CC(C)C(=O)N1CCCN(C(=O)Cn2cnc(C#N)n2)CC1 1645615757 BUWCVLREYMGWEZ-UHFFFAOYSA-N 304.354 -0.133 30 20 DBED C[C@H](OC(=O)Cc1nc2ncccn2n1)C(=O)N(C)CCC#N 1647074869 YGBMXXSZGOVDJD-JTQLQIEISA-N 316.321 -0.029 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@H](NC(=O)C2(N(C)C)CCC2)C1 1665465590 LHTZPEQNBPDZRG-KGLIPLIRSA-N 320.437 -0.201 30 20 DBED COC[C@@H](O)CNC[C@@H](O)CNC(=O)CC#Cc1ccccc1 1732666876 ZUROGVVPLVLDDA-CVEARBPZSA-N 320.389 -0.498 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCN1CCN(CC#N)CC1 1752365767 JAGYGWXGBGFITJ-HNNXBMFYSA-N 303.410 -0.659 30 20 DBED C=CCCO[C@@H](C)C(=O)N[C@H]1C[C@@H](NCc2nc(=O)n(C)[nH]2)C1 1752715117 UKCFGROPPPWRFY-SDDRHHMPSA-N 323.397 -0.174 30 20 DBED Cc1ncc(CC(=O)N[C@H]2C[C@@H](NCC(=O)NCC#N)C2)o1 1752732968 IHXYBAXCTKTJCI-PHIMTYICSA-N 305.338 -0.598 30 20 DBED C#CCNC(=O)CN(CC)CCNC(=O)c1cc(C)nn1C 1753078858 RGVSLZYJMXNGHZ-UHFFFAOYSA-N 305.382 -0.470 30 20 DBED C[C@H](C#N)C(=O)N(C)CCNCCN1CCCS1(=O)=O 1753176798 BVPKJOQGZGJWFQ-LLVKDONJSA-N 302.400 -0.770 30 20 DBED C=CCNC(=O)CNC[C@H](C)CNC(=O)c1c(C)ncnc1O 1753640222 QVMPFSVUBPWJFD-JTQLQIEISA-N 321.381 -0.252 30 20 DBED C#CCNC(=O)CNC[C@@H](O)CNC(=O)c1ccc(Cl)[nH]1 1753927051 BWDXRJOKWRXFBD-SECBINFHSA-N 312.757 -0.902 30 20 DBED COCC#CCNC1(CNC(=O)c2ccc(=O)n(C)n2)CC1 1754532223 GJHAPCDTPLULDV-UHFFFAOYSA-N 304.350 -0.718 30 20 DBED C=CCN1CC[C@](O)(CNC(=O)[C@H]2CCCN(C(N)=O)C2)C1 1754752170 CHOYKSVHMVJGON-WFASDCNBSA-N 310.398 -0.484 30 20 DBED C=CCNC(=O)CNC[C@H]1CN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C[C@@H]1C 1754821379 QMWZBIRIEDYBBB-GRYWWWGRSA-N 321.421 -0.135 30 20 DBED COCC#CCN[C@H]1CN(C(=O)C2CN(C(C)=O)C2)C[C@H]1C 1755108734 KJPGNYBEEXIAMV-DOMZBBRYSA-N 307.394 -0.449 30 20 DBED CC(C)OCC(=O)N1CCC[C@@H]1CN(C)CC(=O)NCC#N 1755188944 FUQUXUFZFYXPDT-CYBMUJFWSA-N 310.398 -0.026 30 20 DBED CN(CC(=O)NCC#N)C[C@H]1CCCN1C(=O)[C@@H]1[C@H]2COC[C@H]21 1755197772 MZFIZFJSLGRZCJ-CXTNEJHOSA-N 320.393 -0.559 30 20 DBED Cc1cc(C(=O)N2C[C@@H](NCC(=O)NCC#N)C[C@@H]2C)cnn1 1755676375 VBIRSVSOMRMQDC-AAEUAGOBSA-N 316.365 -0.383 30 20 DBED C#CCN1CCC[C@@H](NC(=O)CN(C)S(=O)(=O)CC)[C@@H]1C 1755722986 UIJKBLCHAFOQOS-QWHCGFSZSA-N 315.439 -0.130 30 20 DBED C#CCCN[C@@H]1CN(C(=O)C[C@H](NC(C)=O)C(N)=O)CC1(C)C 1755764547 VCJHYFKPNDDHIF-QWHCGFSZSA-N 322.409 -0.784 30 20 DBED CCOc1cccc(CC(=O)N(C)C[C@@H](O)CNCC#N)n1 1755784156 HYFJJBOODYEFAN-ZDUSSCGKSA-N 306.366 -0.045 30 20 DBED COCC#CCN(C)C[C@@H](O)CN(C)C(=O)Cc1nonc1C 1755807265 RIAXORNZNCIYBZ-CYBMUJFWSA-N 324.381 -0.679 30 20 DBED C[C@@H](CN(C)C(=O)[C@H](C)C#N)NC(=O)CN1C(=O)CN(C)C1=O 1756490349 ULILCWAASNQGAR-ZJUUUORDSA-N 323.353 -0.997 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](CO)CNC(=O)c1cocn1 1756517380 GHCZNMSXLIBBES-MDZLAQPJSA-N 323.349 -0.137 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CN(C(=O)[C@@H](F)C(F)(F)F)C[C@H]1O 1756995612 DJJFVLLLXDAGOM-FXPVBKGRSA-N 322.258 -0.012 30 20 DBED COCC(=O)NCCC(=O)O[C@H](C(N)=O)c1ccc(C#N)cc1 1771605521 HMQTVGNMOVYZCJ-AWEZNQCLSA-N 319.317 -0.219 30 20 DBED CC(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783561513 VNIMQBUUGCTAAC-INIZCTEOSA-N 322.361 -0.050 30 20 DBED N#CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnco1 1793564767 VYJGDWFTBGJJIP-DDFAGTSDSA-N 304.306 -0.209 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cncnc1 1794822062 HNLDXQBFWVJLHI-DABQJJPHSA-N 300.318 -0.687 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1conc1C 1794841369 JKMHZFFCEPFKKT-GNXNZQSNSA-N 303.318 -0.181 30 20 DBED CC[C@H](NC(N)=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CC#N 1795461291 UXQMEYHCQLJXPJ-USZNOCQGSA-N 321.381 -0.015 30 20 DBED C=CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncon1)C2 1800999721 QACNMXOMDSHNTD-PEGIJTEDSA-N 306.322 -0.151 30 20 DBED Cn1cc(C#N)c(=O)n(CCN2C(=O)c3ccccc3C2=O)c1=O 11456693 VTPPBZXVZBEDMX-UHFFFAOYSA-N 324.296 -0.285 30 20 DBED C#CCN1CCN(C(=O)CNc2ccc(C(N)=O)cc2)CC1 73640760 PXUSRVMHXKXIIN-UHFFFAOYSA-N 300.362 -0.025 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(Cc2nnc(CC)o2)c1=O 117549050 PPMYXONQUBHTDB-UHFFFAOYSA-N 319.321 -0.463 30 20 DBED CN/C(=N\CC1(OC)CCOCC1)NCCN1CCOCC1 160616102 XOTJQTSQWUECRO-UHFFFAOYSA-N 314.430 -0.321 30 20 DBED C/N=C(/NCCN1C(=O)CNC1=O)NCc1nc(C)cs1 175975477 GBKJLORFULHKKK-UHFFFAOYSA-N 310.383 -0.332 30 20 DBED C/N=C(\NCc1c(C)noc1C)NC[C@H]1CN2CCN1CC2 179018691 JWULTCOBIUERFI-ZDUSSCGKSA-N 306.414 -0.044 30 20 DBED CNS(=O)(=O)CCNS(=O)(=O)c1ccc(CC#N)cc1 221088315 VAYLUXOLSZWGAR-UHFFFAOYSA-N 317.392 -0.420 30 20 DBED COC(=O)[C@@H]1COCCN1S(=O)(=O)c1ccc(C#N)nc1 223282380 VIPJACAVOVKYMP-NSHDSACASA-N 311.319 -0.484 30 20 DBED COCCN/C(N)=N/CCc1ccc(S(N)(=O)=O)cc1 264153861 ZYSFCEBWWJIRTH-UHFFFAOYSA-N 300.384 -0.573 30 20 DBED C#C[C@H](C)NC(=O)C(=O)Nc1cc(S(=O)(=O)NC)ccc1C 276050097 TYGNGRFZYDVLCY-JTQLQIEISA-N 323.374 -0.020 30 20 DBED O=C1C[C@@H](Cc2ccc(C(=O)NCC#CCO)cc2)C(=O)N1 282910171 MQXMYICKAUMHJR-CYBMUJFWSA-N 300.314 -0.383 30 20 DBED CO[C@@H]1[C@@H]2C[C@H]3[C@@H](C2)CN(c2c(C#N)c(=O)n(C)c(=O)n2C)[C@H]31 286294952 JBOVIIYTPZURRM-CXWACVEQSA-N 316.361 -0.185 30 20 DBED CC(C)N1C(=O)C[C@H](NS(=O)(=O)c2cncc(C#N)c2)C1=O 289445234 KOQKUFKVQDVAFF-NSHDSACASA-N 322.346 -0.233 30 20 DBED O=C(NCC#CCO)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 293809482 CKAWGUVUIGHNGD-KGLIPLIRSA-N 306.362 -0.461 30 20 DBED O=S(=O)(CC/N=C(/O)N1CCN=C(O)C1)NCC1CCC1 329241578 RUKUAJWEFDXKCV-UHFFFAOYSA-N 318.399 -0.108 30 20 DBED C[C@@H](CN1CCN(C)CC1)/N=C(/O)N(C)[C@@H]1COC[C@H]1O 329431906 KLTMMAQTFFDWJA-YNEHKIRRSA-N 300.403 -0.772 30 20 DBED CN1C[C@@H](/N=C(/O)N2CCC[C@H]2CN2CCOCC2)CC1=O 329645597 ISJDVJOEKROGFD-STQMWFEESA-N 310.398 -0.072 30 20 DBED CC(C)/N=C(/O)CN1CCN(S(=O)(=O)C2COC2)CC1 330201922 YPDBAAAFRHSPIN-UHFFFAOYSA-N 305.400 -0.303 30 20 DBED CC(C)(C)OC(=O)CNS(=O)(=O)N1CCO[C@H](C#N)C1 337084498 CQERSTGNCYUQHW-SECBINFHSA-N 305.356 -0.613 30 20 DBED COC(=O)CN(CC#N)C(=O)c1ccc(S(N)(=O)=O)cc1 344821701 BSRLBLBZPYYJED-UHFFFAOYSA-N 311.319 -0.527 30 20 DBED C[C@@H]([C@@H](C)N(C)S(=O)(=O)N(C)CCC#N)S(C)(=O)=O 354545788 XXFQMCXNKCKUGA-ZJUUUORDSA-N 311.429 -0.170 30 20 DBED C[C@H](CNC(=O)c1cnn(C)c1C#N)CN1CCN(C)CC1 356086667 IECHAYAWJKSWEV-GFCCVEGCSA-N 304.398 -0.095 30 20 DBED N#Cc1ncn(CCNC(=O)CNC(=O)c2cccc(F)c2)n1 356321806 NQYWTYINNVYEMY-UHFFFAOYSA-N 316.296 -0.165 30 20 DBED CC(=O)C[C@@H]1COCCN1C(=O)CNc1ccc(C#N)cn1 358073400 LFUSQCWAEPOOGP-CYBMUJFWSA-N 302.334 0.572 30 20 DBED N#CCNC(=O)CNC(=O)N1CCN(Cc2ccncc2)CC1 358304081 YWRLGSXQFCBBPD-UHFFFAOYSA-N 316.365 -0.451 30 20 DBED CC1(C)CN(C(=O)NCC(=O)NCC#N)C[C@@]2(CCOC2)O1 367920158 FHDLYPQRONGCOK-CQSZACIVSA-N 310.354 -0.394 30 20 DBED N#Cc1c(N2CCS(=O)(=O)[C@H](C(=O)O)C2)nc2ccccn12 424480030 YCVFRICZIPUKJW-JTQLQIEISA-N 320.330 -0.106 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(CNC)CC2)C1=O 429465043 WXPTUUIXUXDVGU-UHFFFAOYSA-N 322.365 -0.579 30 20 DBED CC(C)OC[C@H](CO)N(C)c1c(C#N)c(=O)n(C)c(=O)n1C 432874399 WODREGZJJOTBSB-JTQLQIEISA-N 310.354 -0.822 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)c2cnn(C)c2)CC1 490656411 JUWUIIXNAQOWBS-UHFFFAOYSA-N 303.366 -0.683 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)Cn2nc(C)cc2C)CC1 491164852 GHKSXTKEOOKLFZ-UHFFFAOYSA-N 317.393 -0.606 30 20 DBED COC(=O)[C@@H](NS(=O)(=O)c1ccc(C#N)cc1F)[C@H](C)O 548700202 VYRIAOQVHQAGFG-CPCISQLKSA-N 316.310 -0.102 30 20 DBED CCN(C(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)[C@H](C)C#N 598360303 VAWRCHQXSIXBRC-NPNZPCOPSA-N 305.334 -0.091 30 20 DBED N#Cc1ccccc1OC[C@H](O)CNC[C@@H]1CC[C@@H](C(N)=O)O1 600732450 ZULVZWXBUFZVJJ-IPYPFGDCSA-N 319.361 -0.080 30 20 DBED Cn1c(NC2CCN(CC#N)CC2)nc2c1c(O)nc(=O)n2C 609333681 APKYAOWOOKVPBM-UHFFFAOYSA-N 317.353 -0.228 30 20 DBED CN(CCCNC(=O)N1CC[C@@](F)(C#N)C1)S(C)(=O)=O 615539439 XARBZMGZQUDUQN-LLVKDONJSA-N 306.363 -0.085 30 20 DBED C[C@H](NS(=O)(=O)c1cccnc1C#N)[C@@H]1CN(C)CCO1 617474974 GQMCDGCXNNOSBE-JQWIXIFHSA-N 310.379 -0.049 30 20 DBED C=CCn1cc(CNC(=O)N[C@@H](C)[C@@H]2CN(C)CCO2)nn1 644943144 CQCTWXQWADAEQF-AAEUAGOBSA-N 308.386 -0.018 30 20 DBED C#CCN1CCN(C(=O)c2ccc(S(N)(=O)=O)nc2)CC1 763993574 DEGCOAUSLPFSGA-UHFFFAOYSA-N 308.363 -0.880 30 20 DBED COC(=O)[C@@H]1C[C@H](C(=O)OC)CCN1CC(=O)NCCC#N 780351299 PXCYJBDISGGQRU-MNOVXSKESA-N 311.338 -0.557 30 20 DBED C#CCOCCNC(=O)CNS(=O)(=O)CCOC(C)C 784765702 DGOLVDXFIJLSCG-UHFFFAOYSA-N 306.384 -0.903 30 20 DBED COC(=O)c1cn(CC(=O)OCC(=O)N(C)C(C)(C)C#N)nn1 786557364 FOBPRAHIWLIFQX-UHFFFAOYSA-N 323.309 -0.632 30 20 DBED C#CCOc1cc(F)ccc1NC(=O)C(=O)NC1(C(N)=O)CC1 807052169 RDRPJGHJYRFLDJ-UHFFFAOYSA-N 319.292 -0.090 30 20 DBED C#CCOCCNC(=O)C(=O)NCc1ccc(C(=O)O)cc1 817110538 HDMWXCWIPMAAET-UHFFFAOYSA-N 304.302 -0.233 30 20 DBED CC(C)(C)OC(=O)NCC[C@H](O)CNCC(=O)NCC#N 819313199 ZUIWRYFFWSYQFZ-JTQLQIEISA-N 300.359 -0.509 30 20 DBED C=CCONC(=O)N1CCN(CC(=O)NCCOC)CC1 838706611 SDKHOADPLJCFFH-UHFFFAOYSA-N 300.359 -0.806 30 20 DBED Oc1ccc(C=NNC(=S)NCCN2CCOCC2)cn1 841606331 DFKNEESZAAAJMW-UHFFFAOYSA-N 309.395 -0.083 30 20 DBED C=C(C)CONC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 845592427 LVJKHXOEURAGSY-UHFFFAOYSA-N 310.354 -0.374 30 20 DBED N#C[C@@]1(NC(=O)CCN2C(=O)CCNC2=S)CCSC1 847415081 RLDGEMWEHKKCFC-LBPRGKRZSA-N 312.420 -0.001 30 20 DBED C#C[C@H](NC(=O)C(=O)NC[C@@H](C(=O)O)C1CCC1)[C@@H]1CCCO1 853345828 KRSONFIELRVELO-AGIUHOORSA-N 322.361 -0.100 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H]3NCC[C@@H]32)C1=O 877282257 QBYKEKUGLWCVOT-QWRGUYRKSA-N 320.349 -0.684 30 20 DBED C#CCN1CCC[C@H](NC(=O)NCCC(=O)N2CCOCC2)C1 884070840 ZYAHCIJWJKQROM-AWEZNQCLSA-N 322.409 -0.368 30 20 DBED C#CCNC(=O)CN1CCN(Cc2cccnc2[N+](=O)[O-])CC1 885985387 GGXFMVZWBWPMAR-UHFFFAOYSA-N 317.349 -0.143 30 20 DBED C[C@@H](NS(=O)(=O)CC1(C#N)CC1)[C@@H]1CN(C)CCN1C 919992122 YXHVDMYGANERSG-NEPJUHHUSA-N 300.428 -0.156 30 20 DBED CC[C@@H](CN1CCOCC1)NS(=O)(=O)N(C)CCC#N 921435491 BQPYGFDFYLONFV-LBPRGKRZSA-N 304.416 -0.223 30 20 DBED C#CC1(O)CCN(CC(=O)NCC(C)(C)N2CCOCC2)CC1 931144648 ZSFVQJXJLLNNDF-UHFFFAOYSA-N 323.437 -0.327 30 20 DBED CO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1NC(=O)c1ccnn1C 941329847 QYATYTKXEXJCMH-HOSYDEDBSA-N 305.338 -0.465 30 20 DBED C=CCn1cc(C(=O)N2CC[C@@H](NC(=O)c3nc[nH]n3)C2)nn1 942166357 RBLMFPWKOPMYRX-SECBINFHSA-N 316.325 -0.773 30 20 DBED C=C1CCC(C(=O)N2C[C@@H](NC(=O)C(N)=O)[C@H](OC)C2)CC1 946498216 UAEJBSQOYJGVGK-VXGBXAGGSA-N 309.366 -0.440 30 20 DBED C[C@@H]1C[C@@H](NC(=O)CN2CCN(C)C(=O)C2)CCN1CC#N 947463995 PILDMTARYLZQPM-OLZOCXBDSA-N 307.398 -0.747 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@@H]2CCNC2=O)C1 954964990 PRIDIMQRJQXMAS-UPJWGTAASA-N 321.377 -0.617 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2c3c(nn2C)CCCC3)C1 958101226 OHIFIQFWYQELAT-IUODEOHRSA-N 316.405 -0.045 30 20 DBED C#CCCN1C[C@@H](O)[C@@H](CNC(=O)c2ccc3nn[nH]c3n2)C1 958120655 BCXXWEPBUWISNH-GXFFZTMASA-N 314.349 -0.601 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](CNC(=O)c2ccc(=O)n(CC)n2)C1 958494383 OZMYFWZPQHKBJR-TZMCWYRMSA-N 320.393 -0.138 30 20 DBED Cn1ncc(C(=O)NC[C@H]2CN(CC#N)C[C@@H]2O)c1C(F)F 958581941 VVSOBGMLRCRIGQ-WPRPVWTQSA-N 313.308 -0.096 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cccc(C(=O)NC)c2)C1 958694190 JEEMHWWVRICAHE-LSDHHAIUSA-N 315.373 -0.298 30 20 DBED C#CCN1CCC(C(=O)NC[C@H]2CN(CCF)C[C@@H]2O)CC1 958723896 JZJVQDLCGXQHQM-GJZGRUSLSA-N 311.401 -0.290 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C#N)c[nH]2)C1 958799821 XZKVNTMLSNDQIJ-ICCXJUOJSA-N 315.333 -0.310 30 20 DBED C=C(C)CN1C[C@@H]2C(NC(=O)Cn3nc(C)n(C)c3=O)[C@H]2C1 962430022 KVBWHWXKTJYRGO-RYUDHWBXSA-N 305.382 -0.487 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CN(C(=O)Cc3ccon3)CCO2)C1 965332203 GPHGOQCLTFKRTA-LLVKDONJSA-N 318.333 -0.183 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](C)[C@H](NC(=O)c2nnn(C)n2)C1 966669711 RIXURRZOXFULCQ-VHSXEESVSA-N 306.370 -0.001 30 20 DBED C[C@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)[C@@H]1CC(=O)N(C)C1)C2 969811359 KQKRFSFWZJZOBD-NDBYEHHHSA-N 318.377 -0.174 30 20 DBED C[C@H](C(N)=O)N1CCO[C@]2(CCN(C(=O)C#CC3CC3)C2)C1 972381514 NLNWWNVITYCHHI-MLGOLLRUSA-N 305.378 -0.423 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)c3cn(C)nn3)C2)cn1 974093574 BKKRKAUQIJOVBO-BETUJISGSA-N 324.344 -0.118 30 20 DBED CN(C(=O)[C@H]1CNC(=O)N1)[C@H]1CCCN(C(=O)C#CC2CC2)C1 984183953 IIVDUUZRRJUQKJ-QWHCGFSZSA-N 318.377 -0.469 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)C3CC3)[C@H](O)C2)[nH]1 991196565 VVIGQSYPVPOBQU-DGCLKSJQSA-N 302.334 -0.012 30 20 DBED N#CCN1CC[C@@]2(NC(=O)c3cn(CC(N)=O)nn3)CCC[C@@H]12 992533979 ZJTYGRDFKAETHP-RISCZKNCSA-N 317.353 -0.986 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)c2cnnc(O)c2)C1 1000022082 JXVNXPKFVYNVGU-NEPJUHHUSA-N 318.333 -0.286 30 20 DBED N#Cc1cc(C(=O)NCC2CN(C(=O)[C@H]3COCCO3)C2)c[nH]1 1001494030 MYUHSFYAUXOTSF-CYBMUJFWSA-N 318.333 -0.510 30 20 DBED CN(C[C@@H]1CCCN1C(=O)C#CC1CC1)C(=O)[C@@H]1CCNC1=O 1002484535 BJGKKPZBTOTKIN-UONOGXRCSA-N 317.389 -0.015 30 20 DBED NC(=O)c1c[nH]c(C(=O)NCC2CN(C(=O)C#CC3CC3)C2)c1 1003873954 UPHOCGXOVGAWAJ-UHFFFAOYSA-N 314.345 -0.285 30 20 DBED C[C@@H](C#N)C(=O)N1CC([C@H](C)NC(=O)c2cnc(O)n2C)C1 1006554203 AWGSRYXVWPDRSN-IUCAKERBSA-N 305.338 -0.138 30 20 DBED C#CCN1CCC[C@@H](NC(=O)C2CC3(C2)NC(=O)NC3=O)C1 1008843883 FNKGKSBSPBQSFB-LOIXOFCESA-N 304.350 -0.812 30 20 DBED N#Cc1c[nH]c(C(=O)NC2[C@@H]3CN(C(=O)c4cnn[nH]4)C[C@@H]23)c1 1012923376 PNEFAXMJAIZNQO-RKDXNWHRSA-N 311.305 -0.495 30 20 DBED C#Cc1ccc(C(=O)NC2[C@@H]3CN(C(=O)CC(N)=O)C[C@@H]23)nc1 1013508476 MDDJNLKMLUGTEA-GHMZBOCLSA-N 312.329 -0.875 30 20 DBED C#CCCN1CC[C@H](NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 1014422755 FKKABHMCESLYHU-OLZOCXBDSA-N 315.377 -0.024 30 20 DBED C=C(Cl)CN1CC[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 1015696023 SWMMUOQEWISTJS-GARJFASQSA-N 301.774 -0.038 30 20 DBED N#CCN1CC[C@H]2[C@H](CCCN2C(=O)CN2CCNC(=O)C2)C1 1021650862 BJVJEPSVGHZRHE-KGLIPLIRSA-N 319.409 -0.745 30 20 DBED Cc1nn(C)c(F)c1C(=O)N[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1O 1025073005 VQDOUWUFLVQPDF-SZEHBUNVSA-N 323.328 -0.671 30 20 DBED C#CCN[C@@H]1CC[C@H]2CN(C(=O)c3cnc(O)n(C)c3=O)C[C@H]21 1026326926 UTGHEKGEYMDFGW-CYZMBNFOSA-N 316.361 -0.441 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2[C@H]1CCNC1=O 1032453537 DUJCKCPMDBSKCH-AJNGGQMLSA-N 316.405 -0.742 30 20 DBED Cn1nnc2cccc(C(=O)NC[C@@H]3CN(CC#N)CCO3)c21 1035631994 XEYFCCCBRLMJBJ-LLVKDONJSA-N 314.349 -0.078 30 20 DBED N#Cc1ccccc1CN1C[C@H]2C[C@H]1[C@H]2NC(=O)Cn1cnnn1 1037312887 YCKKYJNLSNHPEC-YCPHGPKFSA-N 323.360 -0.066 30 20 DBED C=C(Br)CN1CC[C@H]1CNC(=O)c1nnn(C)n1 1038612276 VWNUUYADYTYZCG-QMMMGPOBSA-N 315.175 -0.077 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@]1(O)CCN(C(=O)c2cc[nH]n2)C1 1039575810 GILUXCXADLGMLX-HUUCEWRRSA-N 322.365 -0.570 30 20 DBED CC(C)C#CC(=O)NC[C@@]1(O)CCN(C(=O)c2ncccn2)C1 1039665222 HLAXEOVPOXFDFK-INIZCTEOSA-N 316.361 -0.171 30 20 DBED C[C@H]1[C@@H](N=c2cc[nH]c(C#N)n2)CCN1C(=O)[C@H]1COCCO1 1040044966 ZLBBXCFFQVQQRA-SDDRHHMPSA-N 317.349 -0.413 30 20 DBED C[C@H]1CN(C(=O)C(N)=O)CC[C@H]1CN=c1cc[nH]c(C#N)n1 1040441260 JAMCCPXNEZTPQH-UWVGGRQHSA-N 302.338 -0.848 30 20 DBED C=CCCC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2CN(C)C(=O)N2)C1 1040485814 OAZKHBCXRONXBU-NHYWBVRUSA-N 324.381 -0.944 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)c3cnccn3)C2)nn1 1040917250 OKCUMDVYSGATBZ-VXGBXAGGSA-N 311.305 -0.882 30 20 DBED N#Cc1cnccc1N1C[C@@H](O)[C@H](NC(=O)Cc2cnoc2)C1 1041294770 QMKGPZQEJFDQBS-TZMCWYRMSA-N 313.317 -0.150 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@]2(CCN(CC(N)=O)C2)C1 1041695648 DHMFDOBFQNWSEG-DVOMOZLQSA-N 307.394 -0.013 30 20 DBED C#CCNC(=O)CC(=O)N1CC(O)(CNC(=O)[C@H](C)CCC)C1 1042135555 VTDXNNYBSUDSDD-GFCCVEGCSA-N 323.393 -0.748 30 20 DBED C[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1NC(=O)Cn1nccn1 1042242655 LIOZHMCJLPPADD-ZYHUDNBSSA-N 312.337 -0.419 30 20 DBED C[C@@H]1C[C@@H]1C(=O)N1CC(O)(CNC(=O)c2cc(C#N)c[nH]2)C1 1042400941 IFHQJUOSWSEBDT-KOLCDFICSA-N 302.334 -0.155 30 20 DBED C=CCCOCC(=O)N1CC(O)(CNC(=O)CC(C)(C)O)C1 1042834083 OGVLQLGDKZUBRD-UHFFFAOYSA-N 314.382 -0.570 30 20 DBED CC(C)(C)C#CC(=O)NCC1(O)CN(C(=O)[C@@]23COC[C@@H]2C3)C1 1042969989 FAEPYYPFFNAHIG-SJCJKPOMSA-N 320.389 -0.238 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)CCC2CC2)C1 1043038967 AUAVXDWVKPMKDA-GFCCVEGCSA-N 308.378 -0.096 30 20 DBED CC#CCCCC(=O)N1CC(O)(CNC(=O)Cn2nccn2)C1 1043213870 OZXYLRYLJSNSQG-UHFFFAOYSA-N 319.365 -0.839 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)[C@H]2CC23CCOCC3)C1 1043829225 RHFBKFIQAOERMS-VXGBXAGGSA-N 321.377 -0.348 30 20 DBED C[C@@H]1C[C@@H](NCC#N)CCN1C(=O)c1cn(C)c(=O)nc1O 1044860731 KMMQROXBTOQYGT-ZJUUUORDSA-N 305.338 -0.408 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCN(C)C2=O)C1 1045023086 XQEHHULUPMUWIQ-NSHDSACASA-N 309.366 -0.880 30 20 DBED C=CCCCC(=O)NCC1(O)CN(C(=O)c2c[nH]c(=O)cn2)C1 1045455349 QMXFFNHPRCPHHX-UHFFFAOYSA-N 320.349 -0.571 30 20 DBED N#CCN1CC[C@H](N2CCN(C(=O)c3cnns3)CC2)C1 1046008324 RWPZGSMMMYMIDZ-NSHDSACASA-N 306.395 -0.106 30 20 DBED CC#CCN1CC[C@@](C)(NC(=O)C2CC3(C2)NC(=O)NC3=O)C1 1046697683 PCAKHBGBYPFFIE-YWCUFVOSSA-N 318.377 -0.422 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCC1(O)CN(C(=O)COCC)C1 1046814742 QEGDAICZSRJISC-NEPJUHHUSA-N 312.366 -0.697 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC(=O)N(C(C)C)C2)C1 1047401681 CWAIHWJQAOIUTI-ILXRZTDVSA-N 321.421 -0.230 30 20 DBED CN(C(=O)[C@@H]1CCCN1C(=O)C1CC1)[C@H]1CN(CC#N)C[C@@H]1O 1047556165 PEJPETISRZIRNW-IHRRRGAJSA-N 320.393 -0.586 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCN2C(C)=O)C1 1047642791 BKLCGKMFPVQAAW-ILXRZTDVSA-N 307.394 -0.476 30 20 DBED C#CCOCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCOC)C1 1047997728 KTJIRFLRKQCMKA-STQMWFEESA-N 312.366 -0.907 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2ccoc2)C1 1048226670 QMDZEFCHZBHPAN-UBHSHLNASA-N 320.345 -0.038 30 20 DBED C[C@@H]1[C@@H](NC(=O)[C@H]2CCNC2=O)CCN1c1ccc(C#N)nn1 1050850114 SSUPKYZUPJEEBU-USWWRNFRSA-N 314.349 -0.432 30 20 DBED N#CCN1CCOC[C@H]1CNC(=O)c1cnc2nccnc2c1 1050955858 SVFPHGRLFCNIOK-GFCCVEGCSA-N 312.333 -0.021 30 20 DBED N#CCN1CCOC[C@@H]1CNC(=O)c1ccc2nncn2c1 1051164267 RQLYRLIKAJTACL-LBPRGKRZSA-N 300.322 -0.317 30 20 DBED N#CCN1CCN([C@H]2CCN(C(=O)Cn3cncn3)C2)CC1 1052114275 JFLMKLUOIBBHBX-ZDUSSCGKSA-N 303.370 -0.980 30 20 DBED C[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1CNC(=O)CC(N)=O 1052385342 SJYKPKQWHPUPGF-VHSXEESVSA-N 317.349 -0.414 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](C)[C@H](CNC(=O)C2CC2)C1 1052398123 UJMUXZXLUQUJAK-DGCLKSJQSA-N 305.378 -0.253 30 20 DBED C#CCN1CC2(C1)CN(C(=O)C[C@@H]1CCOC[C@@H]1OC)CCO2 1053285430 VTNPDNDVHJVNRX-GJZGRUSLSA-N 322.405 -0.026 30 20 DBED C#CCN1CC2(C1)CN(C(=O)c1cn(C)nc1COC)CCO2 1053316910 XLVSGRLBVDXFAD-UHFFFAOYSA-N 318.377 -0.274 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)[C@@H]3CCN(C)C(=O)C3)CO2)C1 1053849796 VBWQHWOLTGDTGH-CHWSQXEVSA-N 305.378 -0.553 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)[C@H]3C[C@H]3C(=O)N(C)C)CO2)C1 1053926636 KFPUBQZIDDENQB-HZSPNIEDSA-N 319.405 -0.307 30 20 DBED CN1CCO[C@@H](C(=O)N2CCN(c3ccnc(C#N)n3)CC2)C1 1055751068 NFUYCAHCOIXXQA-GFCCVEGCSA-N 316.365 -0.673 30 20 DBED N#Cc1nccnc1N1C[C@H]2[C@H](NC(=O)Cc3cncnc3)[C@H]2C1 1056190615 KDFSLWSFLNBAFO-JYAVWHMHSA-N 321.344 -0.068 30 20 DBED CN(c1ccc(C#N)nn1)[C@H]1CCN(C(=O)[C@H]2COCCO2)C1 1056870101 XFAOPHFEJPRVLI-QWHCGFSZSA-N 317.349 -0.199 30 20 DBED CN(c1ccnc(C#N)n1)[C@H]1CCN(C(=O)c2nnn(C)n2)C1 1057002703 QDRFXHYXZAXLII-VIFPVBQESA-N 313.325 -0.777 30 20 DBED N#Cc1ccc(N2CCCN(C(=O)[C@@H]3COCCO3)CC2)nn1 1057091369 AMTQTIBDAVNYTK-ZDUSSCGKSA-N 317.349 -0.198 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)[C@H]1CCOC1 1057145625 FUXAHOOTZUDJHC-LBPRGKRZSA-N 300.355 -0.837 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)c1cc(C#N)c[nH]1 1057193717 OLGQLGSYTQNQMG-UHFFFAOYSA-N 320.349 -0.360 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)c1[nH]cnc1CC 1057193870 RHIRWZPKCWEYDV-UHFFFAOYSA-N 324.381 -0.275 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)CC1(O)CCC1 1057517293 OSCURLQSVACKPE-UHFFFAOYSA-N 310.394 -0.112 30 20 DBED C#CCO[C@H](C)C(=O)N(CCO)CCNC(=O)CCOCC 1057583593 UOAKLDFKHSERTM-CYBMUJFWSA-N 314.382 -0.612 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)[C@@H](CCC)OC 1058284195 FSQZOCYBEPRLPY-CYBMUJFWSA-N 316.398 -0.059 30 20 DBED CC#CCCCC(=O)N(CCO)CCNC(=O)c1cnon1 1058442907 WDZWIEHGEOSPCW-UHFFFAOYSA-N 308.338 -0.186 30 20 DBED C#CCCCC(=O)N1CC[C@@H](CCNC(=O)[C@H]2CNC(=O)N2)C1 1059551913 SVVCSMSJKYJCOM-CHWSQXEVSA-N 320.393 -0.174 30 20 DBED C=CCOCC(=O)NC[C@@H]1COCCN1C(=O)[C@@H](C)OCC 1061421762 UTWFLSVNZUPCCU-CHWSQXEVSA-N 314.382 -0.042 30 20 DBED C=CCOCC(=O)N1CCOC[C@H]1CNC(=O)C#CC1CC1 1061569722 KKIQPUIVCOQERE-CQSZACIVSA-N 306.362 -0.054 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@H](CNC(=O)C2(N(C)C)CCC2)C1 1065556931 LLQHAHCQXKHCSF-QWHCGFSZSA-N 322.409 -0.026 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCCN(C)C(=O)[C@H]1CCC(=O)NC1 1067748872 GTNPTGGUJHPPIZ-RYUDHWBXSA-N 308.382 -0.021 30 20 DBED N#Cc1ccc(N2C[C@H]3CC[C@H]2CN3C(=O)Cc2nc[nH]n2)nn1 1068050661 NHZINXJRASLDGG-NWDGAFQWSA-N 324.348 -0.111 30 20 DBED C#CCOCCC(=O)N1CC2(C[C@H](NC(=O)[C@H](C)C#N)CO2)C1 1069008846 VSQVUXSJKZZFMJ-OLZOCXBDSA-N 319.361 -0.328 30 20 DBED C[C@@H]1C[C@H](Nc2cncc(C#N)n2)CN1C(=O)CS(C)(=O)=O 1069042007 QVQDUKHLGGKQIB-ZJUUUORDSA-N 323.378 -0.206 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C[C@@H]1n1ccnn1 1070255126 NINBJDKCQIUGAR-BJJPWKGXSA-N 301.350 -0.855 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCCN(C(=O)C[C@@H](C)OC)C1 1070528793 QMYULDBSIJHRON-CHWSQXEVSA-N 323.393 -0.342 30 20 DBED CNC(=O)CN1C[C@H]2C[C@@H]3CN(C(=O)[C@H](C)C#N)C[C@@]3(C1)O2 1070771788 BRZRMDJNFDKKJW-RTWAVKEYSA-N 306.366 -0.806 30 20 DBED N#CCN1CCNC(=O)CCN(C(=O)Cc2ccc[nH]2)CC1 1071021687 BHDIILVOZPVCBA-UHFFFAOYSA-N 303.366 -0.269 30 20 DBED C[C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@@]2(CCN(CC#N)C2)O1 1071179006 ZFGFISPEIQPXDF-ABAIWWIYSA-N 308.382 -0.287 30 20 DBED C=C(C)CN1C[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)CC[C@H]1C 1071517652 JPXMKGKYZJQRFX-NEPJUHHUSA-N 320.397 -0.078 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC[C@H](NC(=O)C(N)=O)C(C)(C)C1 1073479099 GVDRLDDROIXNOA-BONVTDFDSA-N 311.382 -0.458 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)c3cc[n+]([O-])cc3)C[C@H]21 1074158186 NNCILBFMNVSXRA-HUUCEWRRSA-N 301.346 -0.132 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)c1cnn(C)c1 1076217666 BWHSYMGUAKCCSY-NSHDSACASA-N 319.365 -0.816 30 20 DBED C=CCOCC(=O)N[C@@H](C)CCNC(=O)C[C@@H]1CCNC1=O 1076848985 FWUAFPKLTYJRDI-RYUDHWBXSA-N 311.382 -0.274 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CN(Cc3cnsn3)C[C@H]2O)c1 1076855594 DIQFXZGAEXAWLB-VXGBXAGGSA-N 318.362 -0.287 30 20 DBED CC(C)CN1C[C@@H](C(=O)N[C@@H]2CN(CC#N)C[C@H]2O)CC1=O 1077087615 NNQVPLFKYXWDFP-YNEHKIRRSA-N 308.382 -0.824 30 20 DBED CCN(C(=O)C[C@@H](C)NC(N)=O)C1CN(C(=O)C#CC2CC2)C1 1079780868 ROCWDECXIKVDTL-LLVKDONJSA-N 320.393 -0.094 30 20 DBED C#CCN1C[C@@H](NC(=O)Cn2nc3ccccn3c2=O)[C@H](C)C1 1080231512 MHEFYIRDPHMCEY-CHWSQXEVSA-N 313.361 -0.434 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CO)(NC(=O)c2ncn(C)n2)CC1 1080843970 HRPATKADZOWAJH-SNVBAGLBSA-N 320.353 -0.942 30 20 DBED CCOCC(=O)NC[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1O 1081219665 ASPZJFWANZLKTP-GWCFXTLKSA-N 320.349 -0.528 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2coc(C)n2)C1 1081427706 IQQVVPCKAYIXMB-DGCLKSJQSA-N 323.349 -0.265 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)c2cn[nH]c2)C[C@@H]1O 1081442411 VAWKUINGTSUGGN-OLZOCXBDSA-N 304.350 -0.238 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cnnn2CC)C1 1081460077 BWXOPTDUGDVUEO-WCQYABFASA-N 321.381 -0.187 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(C(=O)Cc2cnoc2)C[C@H]1O 1081473653 JEXJDHMAHSKAQN-ZIAGYGMSSA-N 317.345 -0.434 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@H](CNC(=O)CN(C)C(C)C)C1 1081551083 NICPSODERUJBCX-CABCVRRESA-N 323.437 -0.079 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CN(C)C(C)C)C1 1081551086 NICPSODERUJBCX-LSDHHAIUSA-N 323.437 -0.079 30 20 DBED C#CCN1C[C@@H](NC(=O)c2c(C)c[nH]c2CC(N)=O)[C@H](OC)C1 1082156762 ZVEQBTLADFLTAI-CHWSQXEVSA-N 318.377 -0.587 30 20 DBED C=CCN1C[C@@H](NC(=O)Cc2nc3ncccn3n2)[C@H](OC)C1 1082367720 TXTPWANYZYJKBY-VXGBXAGGSA-N 316.365 -0.332 30 20 DBED C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1N[C@H]1CCNC1=O 1082483981 YGJGZGNLIYRQNN-JIMOISOXSA-N 301.350 -0.175 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCCCS2(=O)=O)C1 1083521918 MJSZWRHETHRQNQ-GRYCIOLGSA-N 302.396 -0.699 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)C[C@H]2CCC(=O)N2)C1 1083855133 WWVVSSZREKDBAD-MXWKQRLJSA-N 301.774 -0.431 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)C(C)(C)N2CCOCC2)C1 1083864300 IUWAWERGWUHYNO-KGLIPLIRSA-N 311.426 -0.165 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@H]2COC(=O)N2)C[C@H]1c1cnn(C)c1 1086977541 ZVVFWIWGKONEBM-YNEHKIRRSA-N 317.349 -0.954 30 20 DBED Cc1cc(N2CCCO[C@@H](CNC(=O)C(N)=O)C2)c(C#N)cn1 1089557572 ZSVQDQLNGJZJDQ-LBPRGKRZSA-N 317.349 -0.542 30 20 DBED CO[C@@H](C)CCC(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1O 1090400956 JOPFBQJZORAAMX-CYZMBNFOSA-N 319.365 -0.171 30 20 DBED CCOc1cc(N2C[C@H](O)[C@H](NC(=O)[C@@H](C)C#N)C2)ncn1 1091083168 RJJBXHMNIZUPOE-AXFHLTTASA-N 305.338 -0.299 30 20 DBED CS(=O)(=O)CC(=O)NC[C@H]1C[C@@H](Nc2nccnc2C#N)C1 1091318233 ONVRFCUGGMWAGZ-AOOOYVTPSA-N 323.378 -0.300 30 20 DBED COC(=O)NCC(=O)N[C@H]1CCN(c2nccnc2C#N)[C@@H]1C 1091942077 LQBYUKDPAODRIR-ZJUUUORDSA-N 318.337 -0.212 30 20 DBED CNC(=O)NCC(=O)N[C@H]1[C@@H]2CN(c3ccc(C#N)nc3)C[C@@H]21 1093361071 LTVIBQQRNWSZJT-IMRBUKKESA-N 314.349 -0.567 30 20 DBED CC[C@]1(C(=O)NCCNc2ccc(C#N)nn2)CCNC1=O 1094219121 QKJBDCOHFIJLKV-AWEZNQCLSA-N 302.338 -0.207 30 20 DBED N#Cc1nccnc1NCCCNC(=O)[C@@H]1CC[C@@H]1C(N)=O 1094703927 RTRJBGLABAMCMU-VHSXEESVSA-N 302.338 -0.222 30 20 DBED CC#CCN1CC(N2C[C@H](NC(=O)c3ccnnc3)CC2=O)C1 1094787924 KMTBFLAWSPVMAT-CYBMUJFWSA-N 313.361 -0.485 30 20 DBED C[C@H](CC(=O)N[C@H]1C[C@H](N=c2cc[nH]c(C#N)n2)C1)NC(N)=O 1097072003 YKFIQIUNJBURHA-OPRDCNLKSA-N 317.353 -0.724 30 20 DBED C[C@H](C(=O)N[C@H]1C[C@@H](Nc2cnc(C#N)cn2)C1)S(C)(=O)=O 1097265088 RZPFOTNSVHNLGK-BBBLOLIVSA-N 323.378 -0.160 30 20 DBED C[C@H](NC(=O)CC(N)=O)[C@H]1CCCN(c2ccnc(C#N)n2)C1 1097515382 NQWHORJAJYVKFC-QWRGUYRKSA-N 316.365 -0.055 30 20 DBED N#CCNCc1cn([C@@H]2CCN(C(=O)c3cnsn3)C2)nn1 1098626128 LPVLDLJAQOJPOF-SNVBAGLBSA-N 318.366 -0.170 30 20 DBED COCC#CCN1C[C@H]2[C@@H]3CC[C@@H](CN3C(=O)C(N)=O)[C@H]2C1 1099521421 RBTAWCRGXIGREF-DGAVXFQQSA-N 305.378 -0.710 30 20 DBED Cn1cc(CN2CC[C@H](NC(=O)C#CC3CC3)[C@@H](O)C2)cn1 1099823953 MPLXDEPBXXFNBP-GJZGRUSLSA-N 302.378 -0.115 30 20 DBED C=CCCOCC(=O)N[C@@H]1CCN(CC(=O)N(C)C)C[C@@H]1O 1100138349 HKSXCLVRTWHKCD-OLZOCXBDSA-N 313.398 -0.781 30 20 DBED C=CCOCC(=O)NCCN(CC)c1nccn2nnnc12 1100466561 RZKHHWRKGXNSRH-UHFFFAOYSA-N 305.342 -0.336 30 20 DBED CCN(CCNC(=O)[C@@H]1COCCO1)c1nccnc1C#N 1100479622 FVGUSGZRLMGAEL-LBPRGKRZSA-N 305.338 -0.294 30 20 DBED C=C[C@](C)(O)CC(=O)NCCN(CC)c1ccc2nnnn2n1 1100503887 AFUVHULTVIHMBI-AWEZNQCLSA-N 319.369 -0.211 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)c2ccn(CC)n2)C1 1100730527 DFZGOFMUQBKEDF-UHFFFAOYSA-N 317.393 -0.250 30 20 DBED COC(=O)NCC(=O)NC[C@@H]1CCCN1c1cnc(C#N)cn1 1100800436 FOKISTUEFZZJRT-NSHDSACASA-N 318.337 -0.211 30 20 DBED CC(=O)N1CCC[C@H]1C(=O)N(C)CCN=c1cc[nH]c(C#N)n1 1101703350 BTXXIDULMUTVLL-LBPRGKRZSA-N 316.365 -0.349 30 20 DBED CN(CCNc1ncccc1C#N)C(=O)CN1CC(=O)NC1=O 1101720374 ZSJMFLAFOIJNDW-UHFFFAOYSA-N 316.321 -0.625 30 20 DBED CN(CCNc1cnc(C#N)cn1)C(=O)c1cc(C(N)=O)c[nH]1 1101728579 CDLGIKFQWMIMJX-UHFFFAOYSA-N 313.321 -0.041 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(Cc2nnnn2C)C[C@H]1C 1101817019 XDXMLLMMJGAHQC-VXGBXAGGSA-N 308.386 -0.403 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1F 1102547992 YQBWSGDBOSTNMF-QWRGUYRKSA-N 317.324 -0.455 30 20 DBED CC[C@@H](CNC(=O)[C@H]1CN(C)CCO1)Nc1ccc(C#N)nn1 1103032556 LOOWDOMRSQXUNE-WCQYABFASA-N 318.381 -0.014 30 20 DBED C[C@@H]1CN(C(=O)[C@H]2CCOC2)C[C@H]1CCNCC(=O)NCC#N 1103965440 RUDVCPLLKODUSK-MCIONIFRSA-N 322.409 -0.263 30 20 DBED C[C@@H](CNC(=O)Cn1nccn1)CNc1cncc(C#N)n1 1104110405 RPYKKTDLJBMVBL-SNVBAGLBSA-N 300.326 -0.196 30 20 DBED C[C@@H](CN=c1cc[nH]cc1C#N)N(C)C(=O)[C@H]1CNC(=O)N1 1104784390 FYICICWGPSKVDC-JOYOIKCWSA-N 302.338 -0.685 30 20 DBED CCNC(=O)CNCc1cn(C2CN(C(=O)[C@H](C)C#N)C2)nn1 1105189311 BJUWZVVDXRPDFE-SNVBAGLBSA-N 319.369 -0.953 30 20 DBED C#CCNCc1cn(C2CN(C(=O)[C@@H]3C[C@H]4CC[C@H]3O4)C2)nn1 1105195105 ZAOSGEXXIOXHDL-RBSFLKMASA-N 315.377 -0.048 30 20 DBED Cn1cnc(C(=O)NC[C@H](O)CNc2ncccc2C#N)n1 1105814977 BVZHWQBYWBIOFR-SNVBAGLBSA-N 301.310 -0.715 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H](O)CNc1cc(C)nc(C)n1 1105830644 ITLVORXRNISYRO-GFCCVEGCSA-N 319.365 -0.878 30 20 DBED Cc1cc(=NC[C@H](O)CNC(=O)CCCC(N)=O)c(C#N)c[nH]1 1105883457 UUDWYYJGUMFEBR-LBPRGKRZSA-N 319.365 -0.772 30 20 DBED Cn1cncc1CC(=O)NC[C@@H](O)CNc1ccc(C#N)cn1 1105914270 SJNGXTSAYQCXLF-ZDUSSCGKSA-N 314.349 -0.182 30 20 DBED CCc1nc[nH]c1C(=O)NC[C@@H](O)CNc1nccnc1C#N 1105921818 IQATYAIOZRJMOZ-VIFPVBQESA-N 315.337 -0.163 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H](O)CNC(=O)Cc1ncc[nH]1 1105937202 GNFHUHFJMMXDMZ-NSHDSACASA-N 300.322 -0.770 30 20 DBED C[C@@H]1CC[C@H](C(=O)NC[C@@H](O)CN=c2cc[nH]c(C#N)n2)O1 1106110104 GTBIFMJDRPCJGG-OUAUKWLOSA-N 305.338 -0.773 30 20 DBED C[C@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)[C@H]1CCC(=O)N1C 1106544683 GUHYWIJQSQAEHJ-GHMZBOCLSA-N 316.365 -0.302 30 20 DBED C[C@]1(C(=O)NC/C=C/CN=c2cc[nH]c(C#N)n2)CNC(=O)C1 1107422481 SFMZWFNOESQKNF-XYBNCVKDSA-N 314.349 -0.619 30 20 DBED C=C(C)CN1CCO[C@@](C)(CNC(=O)CS(C)(=O)=O)C1 1107786339 VUNYRLPCHKFQGN-ZDUSSCGKSA-N 304.412 -0.186 30 20 DBED CN(CCCNc1ccc(C#N)nn1)C(=O)Cc1nc[nH]n1 1109516699 NWSVYTKUGYLHNR-UHFFFAOYSA-N 300.326 -0.031 30 20 DBED N#Cc1ccc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)CNC(N)=O)cn1 1109680116 WIMIVQLXMVFBEI-WLTAIBSBSA-N 300.322 -0.685 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H](NC(=O)C1(C(N)=O)CC1)C1CC1 1109963304 AUPHVYLXJQWBSH-ZDUSSCGKSA-N 313.361 -0.053 30 20 DBED C[C@H](CC(N)=O)C(=O)NCC1(Nc2ccnc(C#N)n2)CC1 1110298402 QWQSEJHUBYPKNM-SECBINFHSA-N 302.338 -0.080 30 20 DBED COCCCC(=O)NC[C@]1(O)CCN(c2ccc(C#N)nn2)C1 1111050795 PYJMPEIVEJYMIJ-OAHLLOKOSA-N 319.365 -0.168 30 20 DBED CC(=O)N[C@@H](C)C(=O)N(CCO)CCNc1nccnc1C#N 1111413926 NXAYWNXHJGOZJY-JTQLQIEISA-N 320.353 -0.894 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1112720111 GGVLNWDNIUWVFM-OCCSQVGLSA-N 313.361 -0.079 30 20 DBED C[C@H](Nc1nccnc1C#N)[C@@H](C)NC(=O)C1CS(=O)(=O)C1 1113182927 MFAYEEZBARYBFM-DTWKUNHWSA-N 323.378 -0.302 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)c2cnc(O)n2C)CC1 1113190253 FECOVLPXYQOQNB-LLVKDONJSA-N 321.381 -0.426 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)c3c(C)ncnc3O)[C@H]2C1 1114721063 IWWHJWPSXBZTCD-IMRBUKKESA-N 316.361 -0.200 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)Cn3cncn3)[C@H]2C1 1115213478 WUFUDPRWOIJKHE-SRVKXCTJSA-N 318.381 -0.985 30 20 DBED CC(C)C(=O)NCCNC(=O)C(=O)Nc1ccn(CCC#N)n1 1116236166 NLQUSXXZLWSFQF-UHFFFAOYSA-N 320.353 -0.376 30 20 DBED CC#CCN(C)c1nnnn1[C@H]1CCCN(S(C)(=O)=O)C1 1120130446 RARHHOYUOHJZSS-NSHDSACASA-N 312.399 -0.271 30 20 DBED C[C@H](C#N)C(=O)NC1CC2(CC(NCC(=O)NC(N)=O)C2)C1 1120840981 IVRBAQWLODOFTB-IGRDHQEJSA-N 307.354 -0.642 30 20 DBED C=CCNC(=O)CNC1CC2(C1)CC(NC(=O)CC(=O)NC)C2 1120991669 FDMSIHUFIGTJEK-UHFFFAOYSA-N 322.409 -0.558 30 20 DBED Cn1cc(C(=O)NC[C@H](CO)Nc2cncc(C#N)n2)cn1 1121023014 BHOVRAJMMZHEEH-LLVKDONJSA-N 301.310 -0.715 30 20 DBED C[C@@H](C(=O)NC[C@@H](CO)Nc1nccnc1C#N)n1cncn1 1121345944 JFDIVOCSHXCAGQ-UWVGGRQHSA-N 316.325 -0.910 30 20 DBED Cn1oc(C(=O)NC[C@H](CO)Nc2ccc(C#N)cn2)cc1=O 1121366887 YLMYKKATNUBQMW-SNVBAGLBSA-N 317.305 -0.552 30 20 DBED Cc1c(C(=O)NC[C@@H](CO)Nc2ncccc2C#N)nnn1C 1121405865 QBNYGQYQKBJJSL-NSHDSACASA-N 315.337 -0.407 30 20 DBED C[C@@H](NS(C)(=O)=O)C(=O)NC1CC2(CC(NCC#N)C2)C1 1121829780 YVKZAGVPLVFBGR-VHSBIODMSA-N 314.411 -0.535 30 20 DBED C#CCN1CCN(c2nnc([C@](C)(O)COC)n2CC)CC1 1121842615 OBBLSRDOTOCKPN-OAHLLOKOSA-N 307.398 -0.093 30 20 DBED COCCO[C@H](C)C(=O)NC[C@H](CO)Nc1ncccc1C#N 1122014509 XXZQGDNPCNINDX-DGCLKSJQSA-N 322.365 -0.106 30 20 DBED C[C@@H]1CCO[C@@H]1C(=O)NC[C@@H](CO)N=c1cc[nH]cc1C#N 1122584828 MEARAEAFGKWXEI-OSMZGAPFSA-N 304.350 -0.311 30 20 DBED CC(=O)N(C)CC(=O)N(C)C[C@H](O)CNc1ncccc1C#N 1124112220 SSFNFCBMNFWBEE-CYBMUJFWSA-N 319.365 -0.337 30 20 DBED CN(C[C@@H](O)CNc1ccc(C#N)cn1)C(=O)c1cnnn1C 1124271597 MPMUPVZNCZNHCW-NSHDSACASA-N 315.337 -0.373 30 20 DBED CN(C[C@@H](O)CNc1cnc(C#N)cn1)C(=O)c1ncccn1 1124455664 PYJVBECFTHQFRH-NSHDSACASA-N 313.321 -0.317 30 20 DBED C#CCNC(=O)CC(=O)NCCNCc1cccnc1OC 1125978159 MVCZRVWBCSERJE-UHFFFAOYSA-N 304.350 -0.565 30 20 DBED C#CCCN[C@@H]1CN(C(=O)CCCN(C)C)C[C@@H]1n1ccnn1 1129984948 KQJOKKTZCCMPJX-CABCVRRESA-N 318.425 -0.015 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@H]1Cc2ccccc2O1 1131021421 GTHBBLNTMIESTM-SWLSCSKDSA-N 315.373 -0.166 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)CCc1ccnc(C)n1 1131763486 VWBYLBPVVDJDCE-GFCCVEGCSA-N 317.393 -0.439 30 20 DBED C#Cc1cncc(C(=O)NCCNCc2nc(=O)n(C)[nH]2)c1 1133593282 XCJUYYTYUAWSME-UHFFFAOYSA-N 300.322 -0.996 30 20 DBED C[C@@H](C[C@@H](C)NCC#N)NC(=O)CN1CCCCS1(=O)=O 1135009703 ZWHGSUMOZCPFGJ-NEPJUHHUSA-N 316.427 -0.192 30 20 DBED C[C@H](C[C@@H](C)NC(=O)c1cn(C)c(=O)n(C)c1=O)NCC#N 1135613692 HMUOCYZQVFEKRS-NXEZZACHSA-N 307.354 -0.906 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)C(=O)N1CC[C@H](C)C1 1147195710 QFHFWINYRFCANX-RYUDHWBXSA-N 310.398 -0.749 30 20 DBED C=CCN1CCCO[C@@H](CNC(=O)CCS(C)(=O)=O)C1 1149904382 SLNKYAIVSJLQHQ-LBPRGKRZSA-N 304.412 -0.186 30 20 DBED C=CCCN1CCCO[C@H](CNC(=O)C[C@@H]2CC(=O)NC2=O)C1 1150833736 ZBGHHZQKMRZMOM-CHWSQXEVSA-N 323.393 -0.178 30 20 DBED C#CCN1CCC(CCOC)(NC(=O)[C@@H]2CCNC2=O)CC1 1151248991 WHXYBSJUSAJLAM-CYBMUJFWSA-N 307.394 -0.257 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1c(C)nn2cccnc12 1151337454 WYXRPAIXDIOADF-UHFFFAOYSA-N 316.365 -0.341 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cc(N(C)C)ccn1 1153339419 QILAZMFJENPWAB-UHFFFAOYSA-N 303.366 -0.784 30 20 DBED CCN(CC#CCOC)[C@H](C)CNC(=O)C1CC(=O)NC(=O)C1 1155814180 WLAHQQZPXGQSON-GFCCVEGCSA-N 323.393 -0.484 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)[C@@]23COC[C@@H]2C3)C1=O 1158458822 TYCRCFSEVLHHHC-XEZPLFJOSA-N 307.394 -0.094 30 20 DBED CCS(=O)(=O)N[C@@H](C)C(=O)NCCCNCC#CCOC 1158565737 AOIIKGRTOKHWJC-LBPRGKRZSA-N 319.427 -0.940 30 20 DBED C#CCN1CCC(CNC(=O)[C@H]2C[C@H]2C(N)=O)(COC)CC1 1162487927 QCXAMOXDFQATKR-OLZOCXBDSA-N 307.394 -0.414 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)CCc1nccn1C 1163051037 QCZHXGLTNRMHRS-ZDUSSCGKSA-N 319.409 -0.414 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)[C@H]1CC[C@@H](C(N)=O)C1 1166796089 CHTPBFCFWRNZOV-UPJWGTAASA-N 322.409 -0.878 30 20 DBED C=C(C)CN(CC)C(=O)CNCC1(CCNC(=O)C(N)=O)CC1 1166924173 ZDAUYMVCBZWMNY-UHFFFAOYSA-N 324.425 -0.228 30 20 DBED C=CCNC(=O)NC(=O)CN1CCO[C@H]2CCN(C(C)=O)C[C@@H]21 1176876550 PCYIHGBDJRPQIK-STQMWFEESA-N 324.381 -0.680 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2cn(C)nc2C)[C@H]1C 1178363651 IPKXSHIAXUKBKS-JSGCOSHPSA-N 317.393 -0.329 30 20 DBED N#CCNC(=O)CNCCCCCCNC(=O)c1cnn[nH]1 1178924433 VWVSLPWHPNRLGA-UHFFFAOYSA-N 307.358 -0.676 30 20 DBED N#CCSCC(=O)N1CC[C@@H](NCCNC(=O)C2CC2)C1 1181107447 XTTMNFXICNVOMM-GFCCVEGCSA-N 310.423 -0.040 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](NCCN2CCNC2=O)C1 1182514879 WJIOTHKUUZODTL-CYBMUJFWSA-N 308.382 -0.758 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)[C@@H]2CCN(C)C(=O)C2)C1 1183682723 DFRZWWXHAFWOQR-ZIAGYGMSSA-N 307.394 -0.305 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)c2ccoc2CC(N)=O)C1 1185183284 LMBIRUOVOSJASU-GFCCVEGCSA-N 319.361 -0.239 30 20 DBED C=CCOCCN[C@@H]1CCN(C(=O)c2cn(C)c(=O)nc2O)C1 1187796843 KQPNUQZQLZXNNW-LLVKDONJSA-N 322.365 -0.507 30 20 DBED Cc1cnn(CC(=O)N2CC[C@H](N(C)CC(=O)NCC#N)C2)c1 1189123992 TWIKLKOPUDQRQT-ZDUSSCGKSA-N 318.381 -0.636 30 20 DBED C#CCCCCC(=O)N[C@@H]1CN([C@H]2CCN(C)C2=O)C[C@H]1O 1192328239 CPWAPCHMLYNCSN-HZSPNIEDSA-N 307.394 -0.428 30 20 DBED C[C@@H]1CCN(CC(=O)N2CC[C@H](N(C)CC(=O)NCC#N)C2)C1 1192353609 FUDRFKWWSBEZNG-KGLIPLIRSA-N 321.425 -0.499 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(Cc2nccn2CC)C[C@H]1O 1192525782 ZPKJELPUGBMDDW-XJKCOSOUSA-N 322.409 -0.109 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2cc(C)n(C)n2)C[C@H]1O 1192885706 DXUAHYQTTMVUJG-HUUCEWRRSA-N 320.393 -0.570 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2cnc(C)cn2)C[C@H]1O 1192899095 GXYZJAXUGIECDM-NWANDNLSSA-N 318.377 -0.515 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)c2cc(C)co2)C1 1195483937 NHUCSYNQDDUPCN-JHJVBQTASA-N 319.361 -0.499 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)C2(CCC)CC2)C1 1196012297 OJUNOGRWMXCCIQ-BFHYXJOUSA-N 321.421 -0.134 30 20 DBED C#CCN1CCCN(C(=O)CS(=O)(=O)N(CC)CC)CC1 1197309343 ZFHNZAORSUQQLX-UHFFFAOYSA-N 315.439 -0.175 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)c2ccncn2)CC1 1197491309 COOLOZFYUMBQEZ-UHFFFAOYSA-N 301.350 -0.626 30 20 DBED CC#CCNC[C@H]1CN(C(=O)c2cn(C)c(=O)cn2)CCCO1 1201009433 GQTAUOXUUMIDHN-ZDUSSCGKSA-N 318.377 -0.376 30 20 DBED C#CCNC[C@H]1CN(C(=O)C[C@H]2CCC(=O)N2C)CCCO1 1201130005 URBSRHIJUDGYBV-KGLIPLIRSA-N 307.394 -0.162 30 20 DBED N#CCNC(=O)CN[C@H]1C[C@H](NC(=O)C(F)F)C12CCC2 1202289949 KCFQCSQBLJLTLH-IUCAKERBSA-N 300.309 -0.092 30 20 DBED CC#CCNC1CCN(C(=O)[C@@H](CCC(N)=O)NC(C)=O)CC1 1202960930 CPMUPINLHMYFDV-CQSZACIVSA-N 322.409 -0.640 30 20 DBED COCC#CCNC1CCN(C(=O)c2ccc(=O)n(C)n2)CC1 1203605790 SFWWMRBUJHVMBG-UHFFFAOYSA-N 318.377 -0.376 30 20 DBED N#CCNC(=O)CN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)c1ccon1)C2 1204049751 GFIQIQDOFWBCRL-RAIGVLPGSA-N 317.349 -0.103 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)CCn1cccn1 1206021308 IDAYARACNVRMSN-CHWSQXEVSA-N 318.381 -0.651 30 20 DBED C=CCNCC1CCN(C(=O)[C@H](C)NS(C)(=O)=O)CC1 1206411889 WBTUSZKRWCUIPE-NSHDSACASA-N 303.428 -0.062 30 20 DBED C=CCNCC1CCN(C(=O)[C@H](CCC(N)=O)NC(C)=O)CC1 1206608546 TUHLCINQBSXMAO-AWEZNQCLSA-N 324.425 -0.229 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(Cc2nnn(C)n2)C[C@H]1C 1206915867 MUQBHIUABPPILE-JTNHKYCSSA-N 308.386 -0.526 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)Cn2nccn2)[C@H](C)C1 1207153423 ZDAKLCQFXNBYTE-JHJVBQTASA-N 320.397 -0.595 30 20 DBED N#CCNC(=O)CN[C@H]1CCCN(C(=O)Cc2cncnc2)C1 1207920497 KTHAQXDLJVOQLF-ZDUSSCGKSA-N 316.365 -0.761 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC[C@H](NCC(=O)NC2CC2)C1 1208017982 IIJDOGBYNVEDCE-OCCSQVGLSA-N 307.394 -0.116 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)[C@@H]2[C@H]3COC[C@H]32)[C@H](C)C1 1208366375 AKZPHOJOCYXHCW-LACSLYJWSA-N 319.405 -0.547 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1209110629 CTFGKTVZLKPMKH-CXTNEJHOSA-N 307.394 -0.238 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)C2(CN(C)C)CC2)C1 1209287877 OWGXSRLLETYMQV-CQSZACIVSA-N 320.437 -0.342 30 20 DBED Cc1nccn1CC(=O)N1CCC[C@@H](NCC(=O)NCC#N)C1 1211092301 QRIQRZXFGRQQJM-CYBMUJFWSA-N 318.381 -0.588 30 20 DBED C=CCC1(C(=O)N[C@@H]2CN(C[C@H](O)COC)C[C@@H]2O)CCC1 1220293622 OAPMAVRRJDZGLE-MJBXVCDLSA-N 312.410 -0.099 30 20 DBED Cc1ccc(NC(=O)C(=O)N[C@@H]2CN(CC#N)C[C@@H]2O)cc1 1220949855 ZWQHGJUTMGCURI-OLZOCXBDSA-N 302.334 -0.382 30 20 DBED COCC#CCN1CC[C@@H]2CN(C(=O)[C@H]3CCC(=O)NC3)[C@@H]2C1 1221664277 NCJVUWXKBFYKLX-RRFJBIMHSA-N 319.405 -0.305 30 20 DBED C[C@@H]1C[C@@H](C(=O)NCC2CCN(CC(=O)NCC#N)CC2)CO1 1223654283 KGVGSFCFZPQCGM-TZMCWYRMSA-N 322.409 -0.121 30 20 DBED C=CC(C)(C)C(=O)NCC[C@H]1CN(CCO)CCS1(=O)=O 1230480556 DKASVTJAQGRLKP-LBPRGKRZSA-N 318.439 -0.204 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)c1cc(OC)no1 1233743419 XXCXQHMXWJIIBL-NSHDSACASA-N 320.349 -0.421 30 20 DBED C=CCNC(=O)CN(C)CCCNC(=O)CNC(=O)OC 1234490636 YYQNVDRGZKTZGT-UHFFFAOYSA-N 300.359 -0.917 30 20 DBED C=CCNC(=O)[C@H](C)N1CCC[C@H](NC(=O)c2[nH]nnc2C)C1 1267628780 BPZHCQGYRFDGCP-RYUDHWBXSA-N 320.397 -0.002 30 20 DBED CC(C)n1ccc(C(=O)N[C@@H]2CCN(CC(=O)NCC#N)C2)n1 1267750111 SXMTUVPPFZEGSU-GFCCVEGCSA-N 318.381 -0.092 30 20 DBED Cn1nncc1NC(=O)C(=O)NCCNc1ccc(C#N)cn1 1324171550 DEZXSVAGPGZYKX-UHFFFAOYSA-N 314.309 -0.751 30 20 DBED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1c(C(=O)OC)cnn1C 1324514365 RQQSQYWMALWYIQ-SECBINFHSA-N 322.321 -0.964 30 20 DBED C=CCOC[C@H]1NC(=O)N(CCCCS(C)(=O)=O)C1=O 1325879000 MGCFRTYVZAXKAT-SNVBAGLBSA-N 304.368 -0.066 30 20 DBED C=CCCOCCNC(=O)C(=O)N1CCC(NC(C)=O)CC1 1329479449 NZUZBAJTTNGSGO-UHFFFAOYSA-N 311.382 -0.178 30 20 DBED C=CCCS(=O)(=O)N1CCC(n2cc(C(N)=O)nn2)CC1 1329814436 KXUAGGXKPYOQAE-UHFFFAOYSA-N 313.383 -0.080 30 20 DBED C=CCNC(=O)NC(=O)CN1CC[C@H](CS(C)(=O)=O)C1 1330202687 OKAWEYZCKHOSHH-JTQLQIEISA-N 303.384 -0.635 30 20 DBED C=CCn1cc(CNC(=O)C(=O)NC[C@H](C)N(C)C2CC2)nn1 1332041697 BFOPNDJCZFQCIU-NSHDSACASA-N 320.397 -0.321 30 20 DBED C#CCNC(=O)C1CCN(C(=O)C(=O)N2CC[C@H](CF)C2)CC1 1335575427 MDYRPBWVZJVAEK-GFCCVEGCSA-N 323.368 -0.208 30 20 DBED C#CCN(C)c1nnc(Cc2nn[nH]n2)n1CCCOCC 1343900740 QYMIHMAOEUUQQU-UHFFFAOYSA-N 304.358 -0.122 30 20 DBED N#CCn1cc(NC(=O)C(=O)N2CC([C@@H]3CCOC3)C2)cn1 1344353710 VYWMNZYKVNJRCF-SNVBAGLBSA-N 303.322 -0.160 30 20 DBED C=CCS(=O)(=O)CCNC(=O)NCC1(S(C)(=O)=O)CC1 1344378863 YETJIQMYXJXOFI-UHFFFAOYSA-N 324.424 -0.536 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C1(S(C)(=O)=O)CCC1 1344393809 PXKGHYUSCMMXGZ-UHFFFAOYSA-N 309.409 -0.329 30 20 DBED CN1C(=O)CC[C@H](NC(=O)C(=O)NCC(C)(C)CC#N)C1=O 1349037278 PFVBIAMBFSSWAR-VIFPVBQESA-N 308.338 -0.694 30 20 DBED COCC1(O)CCN(C(=O)C(=O)N2CCC[C@@H](C#N)C2)CC1 1352954697 ZAFOKCMUVKCUSW-LBPRGKRZSA-N 309.366 -0.252 30 20 DBED COC(=O)c1cccn(CC(=O)Nc2nn(C)cc2C#N)c1=O 1361737729 AZRSEOUGHOIZOS-UHFFFAOYSA-N 315.289 -0.121 30 20 DBED CCN1CC[C@H](CNC(=O)Cn2cc(C#N)c(O)nc2=O)C1 1361953928 SPMNDDDSYUDKLK-SNVBAGLBSA-N 305.338 -0.721 30 20 DBED N#Cc1cn(CCC(=O)NC[C@@H]2CCCC[C@H]2O)c(=O)nc1O 1362450142 LYZUETIMRCGRRY-CMPLNLGQSA-N 320.349 -0.122 30 20 DBED COC(=O)C[C@@H](C)NC(=O)CCn1cc(C#N)c(O)nc1=O 1363212152 WHIJGBDGCJXDOR-MRVPVSSYSA-N 308.294 -0.722 30 20 DBED C[C@H](CN(C)C(=O)c1cc(=O)n(C)cn1)NC(=O)[C@H](C)C#N 1370539359 UIDSFOURACVDIN-NXEZZACHSA-N 305.338 -0.483 30 20 DBED CNC(=O)NC(=O)CN(C)C1CCN(C(=O)[C@H](C)C#N)CC1 1381976869 WTVYKVJJRWEKJJ-SNVBAGLBSA-N 309.370 -0.476 30 20 DBED C[C@@H](CNC(=O)[C@@H](C)C#N)NC(=O)Cn1nnc2c1CCCC2 1387085007 IOYQHTQQCVSGSL-QWRGUYRKSA-N 318.381 -0.063 30 20 DBED CCN(CCC#N)C(=O)CN1CC(NC(=O)C[C@@H]2CCOC2)C1 1404746635 NVKOIICXVKSIKT-ZDUSSCGKSA-N 322.409 -0.024 30 20 DBED C[C@H](C#N)C(=O)N1[C@H]2CC[C@H]1CC(NC(=O)CCNC(N)=O)C2 1407862703 VFALSORHOQISJY-USWWRNFRSA-N 321.381 -0.157 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CN(C)C(=O)CCCn1cncn1 1413336918 PXLZPNUDXQTZPL-VXGBXAGGSA-N 322.369 -0.847 30 20 DBED CO[C@H](C(=O)NCC1CN(C(=O)[C@@H](C)C#N)C1)c1cnn(C)c1 1416109397 YXTUDHHIKWXMLA-GWCFXTLKSA-N 319.365 -0.158 30 20 DBED CCCN1C[C@@H](C(=O)N2CC(CNC(=O)[C@H](C)C#N)C2)CC1=O 1416122937 XYNBJSDYFQNJTR-YPMHNXCESA-N 320.393 -0.021 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CN(C)CCO2)C1 1429072367 MULHZBRLEZJRQE-RVMXOQNASA-N 308.382 -0.512 30 20 DBED C[C@@H](CNC(=O)CCn1ccnn1)NC(=O)c1ccc(C#N)[nH]1 1431794396 NYFVPNMXRJBSDP-JTQLQIEISA-N 315.337 -0.197 30 20 DBED C[C@@H](CNC(=O)[C@@H](C)C#N)NC(=O)c1cccn2nnnc12 1431828285 OMZNCMTVXVAABD-IUCAKERBSA-N 301.310 -0.482 30 20 DBED N#Cc1cn(CCC(=O)N2CCCC[C@H]2CO)c(=O)nc1O 1433602417 FFUDVKFLQXMHDD-NSHDSACASA-N 306.322 -0.416 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CN(C)C(=O)CCc1cnc[nH]1 1444697229 WJJVKSSURSMNCS-PWSUYJOCSA-N 307.354 -0.563 30 20 DBED Cn1c(=O)[nH]c(NC[C@H]2CCCN2CCCO)c(C#N)c1=O 1458390676 GSISBVNGEYEZIR-SNVBAGLBSA-N 307.354 -0.796 30 20 DBED CC1(C)C[C@@H]1C(=O)NC[C@@H]1COCCN1CC(=O)NCC#N 1501770747 RTWYWBFVFMRDKQ-VXGBXAGGSA-N 308.382 -0.511 30 20 DBED CC[C@@H](CNC(=O)Cn1cncn1)NC(=O)c1c[nH]c(C#N)c1 1531497103 MLZLMCIHQKTRPM-NSHDSACASA-N 315.337 -0.197 30 20 DBED CCn1cc(C(=O)NC[C@@H](O)CNC(=O)[C@@H](C)C#N)c(C)n1 1533264118 IBEDLFICWYKLAS-ONGXEEELSA-N 307.354 -0.422 30 20 DBED COC[C@@H](O)CN1CC[C@@](O)(CNC(=O)C#CC(C)(C)C)C1 1569748117 VQZBHFNQHBLEAL-XJKSGUPXSA-N 312.410 -0.404 30 20 DBED C=C(C)C(C)(C)C(=O)N(C)C[C@@H](O)CNC(=O)CNC(=O)O 1573321558 OUFWKRHSZYWKTL-JTQLQIEISA-N 315.370 -0.208 30 20 DBED C[C@@](C#N)(CC(=O)O)C(=O)N1C[C@H]2CS(=O)(=O)C[C@H]2C1 1573359579 DOPJVIKMUBIVFB-SBMIAAHKSA-N 300.336 -0.506 30 20 DBED C[C@@H]1[C@@H](NCC#N)CCN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1 1575901906 RLDXESHQNZZZJK-BDAKNGLRSA-N 300.326 -0.089 30 20 DBED N#Cc1nc(NCC(=O)N2CCCCC2)cnc1-c1nn[nH]n1 1581880589 PJQYMHJDEKTIBY-UHFFFAOYSA-N 313.325 -0.047 30 20 DBED C#CCC1(NC(=O)[C@H]2CCCN(CC(=O)O)C2=O)CCOCC1 1588391146 BNTJVRFHAUOOOK-GFCCVEGCSA-N 322.361 -0.002 30 20 DBED C#CCN(CC(=O)O)C(=O)C(=O)Nc1cncc(N(C)C)c1 1588397842 WIZRBXPZFQNYES-UHFFFAOYSA-N 304.306 -0.368 30 20 DBED CC(=O)NCCN(CC(=O)NC1(C#N)CCC1)[C@@H](C)C(=O)O 1588513488 OCNZUMZDBZAMPM-JTQLQIEISA-N 310.354 -0.540 30 20 DBED C=C[C@H](CO)NS(=O)(=O)c1ccc(-c2nn[nH]n2)c(F)c1 1588727510 BZEGGJVPZCLXDN-SSDOTTSWSA-N 313.314 -0.169 30 20 DBED C=CCOC[C@@H](NC(=O)c1cnn(CCN(C)C)c1)C(=O)O 1588860585 ZQBRRWOOCZVBTM-GFCCVEGCSA-N 310.354 -0.170 30 20 DBED CN(C)CC#CCNC(=O)N1CC[C@H](n2cc(C(=O)O)nn2)C1 1598197102 UPJOTJAJRKOQAS-NSHDSACASA-N 320.353 -0.502 30 20 DBED Cc1ncc(S(=O)(=O)N2CC(O)(CC#N)C2)cc1C(=O)O 1600745150 KWNMAGLHCYRMHH-UHFFFAOYSA-N 311.319 -0.263 30 20 DBED C#C[C@H]1COCCN1S(=O)(=O)c1cccc(-c2nn[nH]n2)c1 1602696292 HMJOLORAZAFRBS-NSHDSACASA-N 319.346 -0.111 30 20 DBED C=CCNC(=O)[C@H](C)OC(=O)[C@H](C)n1cnc(-c2nn[nH]n2)n1 1602864245 ZGBIDTHBXSKIKR-YUMQZZPRSA-N 320.313 -0.747 30 20 DBED CCN(CC#N)C(=O)CNC(=O)c1ccc(-c2nn[nH]n2)cc1 1609221153 JAUSXLVEWANBSW-UHFFFAOYSA-N 313.321 -0.031 30 20 DBED N#CCNC(=O)CN[C@H]1CCN(C(=O)CC[C@H]2CCCO2)C1 1690659867 UYQNGPIVYHQEFD-QWHCGFSZSA-N 308.382 -0.224 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@H]1CCCN1C(=O)c1n[nH]cc1F 1698732100 KWNUSZUGJXHIGH-WDEREUQCSA-N 321.356 -0.119 30 20 DBED C#CCNC(=O)[C@H](C)NCCN(C)C(=O)c1ccnc(OC)n1 1753211563 REAPORMYJNHMIV-NSHDSACASA-N 319.365 -0.715 30 20 DBED C=CCOCC(=O)NC1CN(CC(=O)NC[C@@H]2CCOC2)C1 1753373196 NQUNESCVODSJMG-LBPRGKRZSA-N 311.382 -0.858 30 20 DBED C=CCNC(=O)NC(=O)CN1CC(NC(=O)C2(COC)CC2)C1 1753382985 MSVPZYFHENRGFI-UHFFFAOYSA-N 324.381 -0.775 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC[C@H](N(C)C(=O)c2cnnn2C)C1 1753434758 HVIAMCYUUWHMQF-NEPJUHHUSA-N 320.397 -0.348 30 20 DBED C=CCOCC(=O)N(C)[C@H](C)CN[C@@H](C)C(=O)NC(=O)NC 1753681757 CSIVWLATFGPTBY-MNOVXSKESA-N 314.386 -0.530 30 20 DBED Cc1cc(=O)c(C(=O)N[C@@H](C)CNCC(=O)NCC#N)cn1C 1754271619 XUPWBHIWQCHYGG-JTQLQIEISA-N 319.365 -0.959 30 20 DBED C#CCN1CC[C@@]2(CCN(C(=O)COCc3nncn3C)C2)C1 1754567181 HRBPIISFFLLGES-MRXNPFEDSA-N 317.393 -0.111 30 20 DBED CC(C)OCCCC(=O)N(C)C1CN(CC(=O)NCC#N)C1 1754588009 HOIZUUMLUSIIIG-UHFFFAOYSA-N 310.398 -0.026 30 20 DBED C#CCN(C(=O)C[C@@H]1CCOC1)C1CCN(CC(N)=O)CC1 1754636354 JJYNNCMARJGDDO-ZDUSSCGKSA-N 307.394 -0.176 30 20 DBED CC[C@H](C)NC(=O)CN1CC[C@@](O)(CNC(=O)C#CC2CC2)C1 1754748450 IZUHAMMHUUHGNP-SUMWQHHRSA-N 321.421 -0.133 30 20 DBED Cn1cnnc1CN[C@@]1(CO)CCCN(C(=O)C#CC2CC2)C1 1755083587 UORROMOCRVYYRS-INIZCTEOSA-N 317.393 -0.328 30 20 DBED C=CCNC(=O)CNCC1CC(NC(=O)c2cnns2)C1 1755207805 TVKKCHVQTWDNJF-UHFFFAOYSA-N 309.395 -0.062 30 20 DBED CC(C)=CC(=O)N1CCO[C@@H]([C@@H](C)NCC(=O)NCC#N)C1 1755437472 DKEKHMNCONXHSO-CHWSQXEVSA-N 308.382 -0.202 30 20 DBED COCC#CCNC[C@H](O)CN(C)C(=O)Cc1cnc(C)o1 1755780954 PWUJUHWPLILVDX-ZDUSSCGKSA-N 309.366 -0.416 30 20 DBED O=C(C#CC1CC1)NC[C@H](CO)NC(=O)CCc1ncccn1 1756519333 FUBZWTNYFOMLRL-CYBMUJFWSA-N 316.361 -0.584 30 20 DBED Cc1ncnc(O)c1C(=O)NC[C@@H](CO)NC(=O)C#CC1CC1 1756544145 XMPITOHBONZLPK-NSHDSACASA-N 318.333 -0.889 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)c1c[nH]nc1C 1756549878 ILLVLTGLHHZKRH-LOWVWBTDSA-N 322.365 -0.484 30 20 DBED CN(C[C@@H](O)CNC(=O)Cc1cccnc1)C(=O)C#CC1CC1 1756661644 BSHUTBHABXOHKD-HNNXBMFYSA-N 315.373 -0.027 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(C(=O)C[C@](C)(O)C=C)C[C@H]1O 1756997119 GLYKGWNNLHAHPT-XJKCOSOUSA-N 324.377 -0.959 30 20 DBED C=CCCC(=O)N[C@@H]1CN(C(=O)c2cc(=O)n(C)o2)C[C@H]1OC 1757120976 SIFRZAPRKDDSGJ-ZYHUDNBSSA-N 323.349 -0.100 30 20 DBED C[C@@H]1[C@@H](NC(=O)[C@H]2CNC(=O)N2)CCN1C(=O)C#CC(C)(C)C 1757537575 KSXLVHAAPANVDF-GRYCIOLGSA-N 320.393 -0.177 30 20 DBED N#CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CNC(=O)C1 1801671706 OUYLQLGSSZYWJQ-WISYIIOYSA-N 304.350 -0.326 30 20 DBED C[C@@H](C(=O)N(C)CCC#N)n1cnc2c1c(=O)n(C)c(=O)n2C 7029369 CFBAGOQTYUIELH-VIFPVBQESA-N 318.337 -0.633 30 20 DBED C[C@@H]1C[C@@H](Nc2c(C#N)c(=O)n(C)c(=O)n2C)CN1C1CC1 133563673 MCNJDYINWBCIPO-NXEZZACHSA-N 303.366 -0.007 30 20 DBED N#Cc1ccc(S(=O)(=O)N2C[C@H](O)[C@H](O)C2)cc1Cl 169062281 AYCPXAIFAUPZGA-PHIMTYICSA-N 302.739 -0.062 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2C[C@@H]2OCC)CC1 171975970 IQOXRECSZUYQIB-KBPBESRZSA-N 307.394 -0.305 30 20 DBED CC(C)[C@H](C#N)N1CCN(C(=O)CN(C)Cc2nnc[nH]2)CC1 180707196 XBRXFAPHTFXWMT-ZDUSSCGKSA-N 319.413 -0.071 30 20 DBED COC(=O)[C@@H]1CN(S(=O)(=O)c2cccnc2C#N)CCO1 234550898 UGCBWVFGOLNFPW-JTQLQIEISA-N 311.319 -0.484 30 20 DBED C[C@H]1CN(c2c(C#N)c(=O)n(C)c(=O)n2C)C[C@H](C2CC2)O1 280471030 MZEVIAQBDGLGNJ-JOYOIKCWSA-N 304.350 -0.041 30 20 DBED C=CCN(C)C(=O)C(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O 289351507 LNTUEOJRHKDRES-NSHDSACASA-N 319.365 -0.324 30 20 DBED C[C@@H](NS(=O)(=O)c1cccnc1C#N)C(=O)N1CCOCC1 318804898 HXVLDOFYVLLVOR-SNVBAGLBSA-N 324.362 -0.521 30 20 DBED O=S(=O)([C@@H]1CCOC1)N1CC[C@H](N/C(O)=N/C2CC2)C1 329568920 LRHUYXBFAZIMTQ-WDEREUQCSA-N 303.384 -0.155 30 20 DBED CC1(C)CN(S(=O)(=O)N2CCO[C@H](C#N)C2)CC[C@H]1O 337197035 WUNFYDFIRKGUFY-GHMZBOCLSA-N 303.384 -0.452 30 20 DBED C=CCN1CC[C@H](N(C)CC(=O)N2CCC[C@H](C(N)=O)C2)C1=O 337231101 UBNXBFHWOBYESY-STQMWFEESA-N 322.409 -0.571 30 20 DBED CNC(=O)Cn1nc(N[C@@H](C)C(=O)NC2(C#N)CCC2)cc1C 345122661 CWFHNZPKGSGCRX-NSHDSACASA-N 318.381 0.300 30 20 DBED N#Cc1ccc(OC[C@@H](O)CN2CCN(C(=O)CO)CC2)cc1 348288443 NVCUEFIGKOUQAK-AWEZNQCLSA-N 319.361 -0.566 30 20 DBED C=CCOC[C@H]1NC(=O)N(CC2(CS(C)(=O)=O)CC2)C1=O 348615837 NGSBSZPZXWIPCP-SNVBAGLBSA-N 316.379 -0.066 30 20 DBED C=C(C)COCCNC(=O)NC[C@@H]1CS(=O)(=O)CCO1 351823703 NNDCRBFDTCHRKW-LLVKDONJSA-N 306.384 -0.308 30 20 DBED CC(C)OCCS(=O)(=O)NCC(=O)N(C)C[C@@H](C)C#N 357422095 IWFKDOOMZJRMNP-NSHDSACASA-N 305.400 -0.051 30 20 DBED Cc1cc(NC(=O)NC[C@]2(O)CCN(C)C2)nn1CCC#N 358484662 ZBQMIJWMRUEMCO-CQSZACIVSA-N 306.370 0.293 30 20 DBED CCN1C(=O)[C@@H]2CN(S(=O)(=O)CCCC#N)CCN2C1=O 371200567 OWTTYXZSVIWNAW-JTQLQIEISA-N 314.367 -0.412 30 20 DBED CCN(CCC#N)S(=O)(=O)N1C[C@@H](CO)OC(C)(C)C1 420740137 FZCFRIVZXOSRLK-NSHDSACASA-N 305.400 -0.062 30 20 DBED C[C@H](C(=O)NC1CC1)N1CCN(C(=O)[C@@H](N)CCCC#N)CC1 424134080 KHQCQAAKCWJCDE-OCCSQVGLSA-N 321.425 -0.181 30 20 DBED CCOC(=O)N[C@@H]1CCCN(C(=O)Cn2cnc(C#N)n2)C1 493358164 OYJFGAOTNKUUCL-SNVBAGLBSA-N 306.326 -0.113 30 20 DBED COC(=O)N1CC(NC(=O)C(=O)Nc2ccc(C#N)cn2)C1 495669126 KXQOEGWFFFUICQ-UHFFFAOYSA-N 303.278 -0.541 30 20 DBED C[C@H](C(=O)NCC1CCN(CC#N)CC1)N1C(=O)CCC1=O 531792111 CNBRFDKINQMADM-LLVKDONJSA-N 306.366 -0.124 30 20 DBED CNC(=O)NCCC(=O)N(C)CCCc1[nH]nc(N)c1C#N 551917724 LLRHZHVOZULPJS-UHFFFAOYSA-N 307.358 -0.426 30 20 DBED CC(C)[C@](C)(C#N)NC(=O)Cn1cnc2c(c1=O)CCNCC2 581820615 NRHZHNPLVJHQRX-INIZCTEOSA-N 317.393 -0.014 30 20 DBED Cc1nnc(CNS(=O)(=O)N2CCO[C@H](C#N)C2)s1 582797758 YLLXHJKJFCLXMO-MRVPVSSYSA-N 303.369 -0.595 30 20 DBED C=CCn1cc(CNC(=O)N[C@@H](C)[C@H]2CN(C)CCO2)nn1 644943146 CQCTWXQWADAEQF-WCQYABFASA-N 308.386 -0.018 30 20 DBED C=CCOCCNC(=O)CNS(=O)(=O)c1c(C)noc1C 685820226 OGNKVOCOGAMDGG-UHFFFAOYSA-N 317.367 -0.111 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)Nc2ccnn2CC2CC2)CCO1 746393544 ADFDLVNOGZVDSC-NSHDSACASA-N 303.322 -0.017 30 20 DBED C#CCNC(=O)C1CCN(CC(=O)N2CCO[C@H](C)C2)CC1 747820042 HWWRAWMLZXNDBG-CYBMUJFWSA-N 307.394 -0.305 30 20 DBED C=CCNC(=O)[C@@H](C)OC(=O)Cn1cnc2c(N)ncnc21 750509733 OIHLMNOQOLIHOR-MRVPVSSYSA-N 304.310 -0.358 30 20 DBED COCC#CCOC(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1 762827567 IGVIZERWVNIRLG-SNVBAGLBSA-N 315.351 -0.720 30 20 DBED C=CCS(=O)(=O)NC(=O)c1cn(Cc2ccccn2)nn1 772723218 JLGIPZMIDKFRQX-UHFFFAOYSA-N 307.335 -0.033 30 20 DBED C#C[C@@H](NC(=O)NCCNC(=O)c1cc[nH]n1)[C@@H]1CCCO1 773438196 WLZQARZODPKDBK-PWSUYJOCSA-N 305.338 -0.381 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N(C[C@@H](C)O)[C@H](C)CO 785890553 YXAAAHXRHGQSGH-GHMZBOCLSA-N 308.400 -0.640 30 20 DBED NC(=O)C(NC(=O)C#Cc1ccc(C(F)(F)F)cc1)C(N)=O 790256580 KAWHBADODYDYME-UHFFFAOYSA-N 313.235 -0.488 30 20 DBED C=CCS(=O)(=O)CCNC(=O)[C@@H](CCC)S(N)(=O)=O 831991883 UARTWLZPBIRZBP-SECBINFHSA-N 312.413 -0.839 30 20 DBED N#C[C@H]1CNC[C@@H]1NC(=O)c1ccc(N2CCOCC2)nc1 834515880 CXLVXPLUELTPOE-STQMWFEESA-N 301.350 -0.240 30 20 DBED C=CCN1CC[C@@H](N(C)S(=O)(=O)CCn2cccn2)C1=O 867224617 CMDIYTDFGPPVMJ-GFCCVEGCSA-N 312.395 -0.068 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCN(C(=O)N2CCN(C)CC2)CC1 896233044 PNWLDLQPAHRTIV-MRXNPFEDSA-N 324.425 -0.175 30 20 DBED Cc1nc(N2CCN(CCC(=O)N(C)CCC#N)CC2)n[nH]1 931627817 HYVNHUNQMCMQSO-UHFFFAOYSA-N 305.386 -0.003 30 20 DBED CN1CC[C@H](CC(=O)N[C@H]2CCN(C(=O)C#CC3CC3)C2)C1=O 938119516 AFSIFRVRIPPVTJ-KGLIPLIRSA-N 317.389 -0.015 30 20 DBED C=C(C)CN[C@@H]1CN(C(=O)c2cn(CC(N)=O)nn2)C[C@H]1C 939819027 GTXWNPWSQPHNKC-GHMZBOCLSA-N 306.370 -0.610 30 20 DBED C[C@H](C#N)C(=O)N1CCCN(C(=O)C2CS(=O)(=O)C2)CC1 941153552 PNURTUINQSBITC-SNVBAGLBSA-N 313.379 -0.748 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](NC(=O)c2ccc3nnnn3c2)C1 941529317 HKVJNTLRPSLWBR-MWLCHTKSSA-N 313.321 -0.385 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](NC(=O)Cc2nc[nH]n2)[C@H](OC)C1 946866097 YICPZIXQFQHYFX-GHMZBOCLSA-N 321.381 -0.099 30 20 DBED O=C(N[C@@H]1CCCN(C(=O)C#CC2CC2)C1)[C@@H]1COCCO1 950752377 AISLJKBRPQCXFJ-KGLIPLIRSA-N 306.362 -0.078 30 20 DBED C=C(C)CN1C[C@H](CNC(=O)c2cc(C(N)=O)cn2C)[C@@H](O)C1 958220463 YWFALHOOXWDMQZ-JSGCOSHPSA-N 320.393 -0.277 30 20 DBED CC#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cc(C(N)=O)co2)C1 958403556 HLLRMVAICLVXLR-NWDGAFQWSA-N 305.334 -0.576 30 20 DBED C#CCCN1C[C@@H](O)[C@@H](CNC(=O)c2cn(CCC=C)nn2)C1 958467569 JLELKNUTKTZLNT-DZGCQCFKSA-N 317.393 -0.100 30 20 DBED N#CCN1C[C@H]2C(NC(=O)Cn3nnc(-c4ccco4)n3)[C@@H]2C1 960721120 BACRJXNZTFXMMX-NXEZZACHSA-N 313.321 -0.497 30 20 DBED Cc1nn[nH]c1C(=O)NC[C@H]1COCCN1C(=O)[C@@H](C)C#N 964284249 BGYDQBFWVYTURU-WPRPVWTQSA-N 306.326 -0.770 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CC[C@H](CNC(=O)c3cnn[nH]3)O2)C1 965560668 IHZPKUMOLHNWNL-VHSXEESVSA-N 318.337 -0.546 30 20 DBED CCN(C(=O)[C@@H]1CCNC(=O)C1)C1CN(C(=O)C#CC2CC2)C1 967871519 SYJXEZPGIFOZES-CYBMUJFWSA-N 317.389 -0.015 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CN(CC(=O)NC)CC[C@@H]2C)nn1 968406191 YLDWLQIMNHZSNX-RYUDHWBXSA-N 320.397 -0.350 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)C2CCN(C)CC2)C1 968452676 MXWIKJWQPZHZOH-UHTWSYAYSA-N 308.382 -0.824 30 20 DBED COCCN1C[C@@H](C(=O)N2CC[C@@H](N(C)CC#N)C2)CC1=O 971632676 GREUSXDOLQKSSP-QWHCGFSZSA-N 308.382 -0.462 30 20 DBED C#CCCN1C[C@H]2CC[C@H]1CN2C(=O)CN1CCNC(=O)C1 971677707 LWIXKGKCWQOIDV-UONOGXRCSA-N 304.394 -0.883 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@]2(CN(Cc3nc(O)n[nH]3)CCO2)C1 972299319 ZYEXBQYIICNXBZ-QMTHXVAHSA-N 320.353 -0.527 30 20 DBED Cn1cnc(C(=O)N2CC[C@@]3(CN(CC#N)CCO3)C2)cc1=O 972422148 NYEZKTVZUXNDBF-OAHLLOKOSA-N 317.349 -0.779 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)c3cn(CC)nn3)C2)C1 972617137 MZFPLCGIMFLXPY-HNNXBMFYSA-N 303.366 -0.152 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)CCc3nc[nH]n3)C[C@H]21 974973334 FENHJLLHWSEJRT-IJLUTSLNSA-N 316.365 -0.044 30 20 DBED C#CCN1CCCC2(C1)CN(C(=O)c1cc(=O)n(C)cn1)C2 981820883 OIYBNHZKSZSLTA-UHFFFAOYSA-N 300.362 -0.049 30 20 DBED C#Cc1ccc(C(=O)N2CC(NC(=O)c3ncn(C)n3)C2)cn1 991172538 PVWBNRNPPDQCAH-UHFFFAOYSA-N 310.317 -0.554 30 20 DBED C=CCN1CC[C@@]2(NC(=O)[C@@H]3CC(=O)NC(=O)N3)CCC[C@H]12 992260036 LDCDXQAKUHOTIO-PGUXBMHVSA-N 306.366 -0.116 30 20 DBED C=CCN1CC[C@@]2(NC(=O)CN3CC(=O)NC3=O)CCC[C@@H]12 992332278 OVVPNDBPKYDFCM-ABAIWWIYSA-N 306.366 -0.163 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN(C(=O)Cc2ccon2)C1 994749804 DJIKMOVSUFOUQA-AWEZNQCLSA-N 316.361 -0.358 30 20 DBED C=C[C@](C)(CC)C(=O)N1CC(NC(=O)C[C@H]2CC(=O)NC2=O)C1 995307674 ZGSUTYPHFDMSGP-MGPLVRAMSA-N 321.377 -0.032 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCC1CN(C(=O)c2cnon2)C1 1002826108 KGASXFHQZNUUED-ZDUSSCGKSA-N 317.349 -0.645 30 20 DBED C=CCn1cc(C(=O)NC2CCN([C@H]3CCNC3=O)CC2)nn1 1003758582 CPSYCMBXMPRQIE-ZDUSSCGKSA-N 318.381 -0.453 30 20 DBED N#Cc1c[nH]c(C(=O)N2CCN(C(=O)c3cnon3)CC2)c1 1010920995 PYZYFGQKWBWVOB-UHFFFAOYSA-N 300.278 -0.132 30 20 DBED C#CCN1CC[C@@H](NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 1015358439 VEAMYKGNXCGJCV-OAGGEKHMSA-N 321.421 -0.310 30 20 DBED CC(=O)N1CC(C(=O)N[C@H]2CCN(C(=O)[C@@H](C)C#N)[C@H]2C)C1 1020536109 ZGKPIKYQKQENDB-KWBADKCTSA-N 306.366 -0.270 30 20 DBED CC#CCN1CCC[C@H](CNC(=O)C2CC(=O)NC(=O)C2)C1 1023644710 QVWMVVHCCCCBRL-GFCCVEGCSA-N 305.378 -0.109 30 20 DBED C=CCN1CCC[C@@H](CNC(=O)[C@H]2CCS(=O)(=O)N2)C1 1023753411 FJJPLOOEYUIMRS-NWDGAFQWSA-N 301.412 -0.308 30 20 DBED CC(C)n1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2O)n1 1025748474 GICOICQSSBLDFW-CYZMBNFOSA-N 319.365 -0.075 30 20 DBED C#Cc1cncc(C(=O)NC[C@@H]2CCN([C@@H](C)C(N)=O)C2)c1 1028792622 KNXJLMIMKNXEHR-AAEUAGOBSA-N 300.362 -0.012 30 20 DBED C#CCCN1[C@H]2CC[C@H]1CN(C(=O)Cn1c(O)nnc1O)C2 1029566799 PZUWQCJBIDQGKA-QWRGUYRKSA-N 305.338 -0.612 30 20 DBED C#Cc1ccccc1CC(=O)NC1CN(Cc2nnn(C)n2)C1 1031313368 KIUXNCDHRZIVAJ-UHFFFAOYSA-N 310.361 -0.266 30 20 DBED C#CCN1CCC(C(=O)NCC2CN([C@H]3CCNC3=O)C2)CC1 1032206524 CQUNNUXZLMYFBZ-HNNXBMFYSA-N 318.421 -0.732 30 20 DBED CC#CCN1CCCC[C@@H](NC(=O)Cn2c(O)nnc2O)C1 1034511014 LQAJSSRLSIXOGG-LLVKDONJSA-N 307.354 -0.317 30 20 DBED CC(C)(C)N1C[C@@H](C(=O)NC[C@@H]2CN(CC#N)CCO2)CC1=O 1035393174 XVVHSKLASRAHSI-QWHCGFSZSA-N 322.409 -0.026 30 20 DBED C#CCCN1CCO[C@H](CNC(=O)c2ccc(C(N)=O)o2)C1 1035442769 XJVCHMVOADSUCD-LLVKDONJSA-N 305.334 -0.168 30 20 DBED COCCn1cc(C(=O)N2CC[C@H]3[C@@H](CCN3CC#N)C2)nn1 1036708892 MDWMTNUKPUEENB-JSGCOSHPSA-N 318.381 -0.016 30 20 DBED C#CCN1CC[C@H]2CN(C(=O)Cn3c(O)nnc3O)CC[C@@H]21 1036879669 RYUHFCPRBGFZSU-QWRGUYRKSA-N 305.338 -0.755 30 20 DBED C=CCN1CC[C@H](N2CC[C@H]2CNC(=O)c2ncn(C)n2)C1=O 1038221337 ARCSZNUGEOJFTM-RYUDHWBXSA-N 318.381 -0.594 30 20 DBED CC(C)C#CC(=O)N1CC[C@@](O)(CNC(=O)Cn2nccn2)C1 1039825332 MJHLHJBXHJSRQM-OAHLLOKOSA-N 319.365 -0.983 30 20 DBED O=C(NC[C@@]1(O)CCN(C(=O)C#CC2CC2)C1)c1cnon1 1040663938 APNUAKVSKFVYMM-AWEZNQCLSA-N 304.306 -0.824 30 20 DBED N#Cc1nccnc1N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCO2)C1 1040924245 GYSNNFWNOIGZGO-UTUOFQBUSA-N 303.322 -0.807 30 20 DBED N#Cc1cnc(N2C[C@@H](O)[C@H](NC(=O)C[C@H]3CCCO3)C2)cn1 1040930711 HSPLSZMQKUECSO-JHJVBQTASA-N 317.349 -0.417 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)c2cc(C)on2)C1 1041369163 VXEWZYVCLDZZLY-LLVKDONJSA-N 321.333 -0.676 30 20 DBED CCOCCC(=O)NCC1(O)CN(C(=O)c2cc(C#N)c[nH]2)C1 1042003717 NMCOBGDMXDRKCO-UHFFFAOYSA-N 320.349 -0.384 30 20 DBED N#CCN1CC[C@@H]2CCN(C(=O)Cn3c(O)nnc3O)C[C@H]21 1042327060 UOGBOBAFAJIWEH-NXEZZACHSA-N 306.326 -0.864 30 20 DBED C[C@@H]1CN(c2ccncc2C#N)C[C@H]1NC(=O)[C@H]1CNC(=O)N1 1042461679 XCCYYSTUVLDWMT-YUSALJHKSA-N 314.349 -0.424 30 20 DBED CC(C)[C@H](C(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1)N(C)C 1042961485 YUXUVDBZJPXXDU-OAHLLOKOSA-N 321.421 -0.325 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)C[C@@H]2CCCO2)C1 1043033213 UGEQTXYVHIWYDC-ZDUSSCGKSA-N 324.377 -0.715 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)c2coc(C)c2)C1 1043039149 DBJZTJWLITVIPH-GFCCVEGCSA-N 320.345 -0.071 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)c2ncoc2C)C1 1043040510 UBDYTYAXJABUOH-LLVKDONJSA-N 321.333 -0.676 30 20 DBED Cc1nccc(C(=O)NCC2(O)CN(C(=O)[C@H](C)C#N)C2)n1 1043148828 KOLPYIWSDWMGHB-SECBINFHSA-N 303.322 -0.752 30 20 DBED CCc1n[nH]cc1C(=O)NCC1(O)CN(C(=O)[C@@H](C)C#N)C1 1043800801 RURXSSYDEBESER-VIFPVBQESA-N 305.338 -0.565 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)c3cnns3)C2)nc1 1043862496 CNCHNARFMQBFNY-ZJUUUORDSA-N 316.346 -0.216 30 20 DBED N#Cc1cnc(N2C[C@H](O)[C@H](NC(=O)c3csnn3)C2)cn1 1044354705 IWCISHQAGYEUSE-SCZZXKLOSA-N 317.334 -0.821 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)C2(CN(C)C)CC2)C1 1045386877 NQQRIIQVHWJURD-LLVKDONJSA-N 308.382 -0.823 30 20 DBED Cc1ncc(C(=O)N2CC(O)(CNC(=O)[C@H](C)C#N)C2)c(C)n1 1045546404 LJRZNTLFGIEADG-SECBINFHSA-N 317.349 -0.444 30 20 DBED Cc1ncc(C(=O)N2CC(O)(CNC(=O)[C@@H](C)C#N)C2)c(C)n1 1045546405 LJRZNTLFGIEADG-VIFPVBQESA-N 317.349 -0.444 30 20 DBED C=C[C@](C)(CC)C(=O)NCC1(O)CN(C(=O)c2cn(C)nn2)C1 1045777873 PWBIJQAOYZLWQO-CQSZACIVSA-N 321.381 -0.280 30 20 DBED C=C(C)CN1CC[C@@H](N2CCN(C(=O)[C@H]3CCNC3=O)CC2)C1 1046048661 BRNPFLRIODFIFX-CABCVRRESA-N 320.437 -0.083 30 20 DBED N#Cc1nc(=N[C@H]2C[C@@H](CNC(=O)[C@@H]3CCNC3=O)C2)cc[nH]1 1046529228 KEFXTMQSZNYEPV-OUAUKWLOSA-N 314.349 -0.787 30 20 DBED O=C(NCC1(O)CN(C(=O)C#CC2CC2)C1)[C@@H]1C[C@@]12CCOC2 1046583569 GCJMQPRZUZLKSI-XJKSGUPXSA-N 318.373 -0.484 30 20 DBED Cc1ccn(CC(=O)NCC2(O)CN(C(=O)C#CC(C)C)C2)n1 1046768149 REKYAAXNXDBLKL-UHFFFAOYSA-N 318.377 -0.460 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(N(C)C)nc2)C1 1047438886 UZUONSIWYLRTKM-KBPBESRZSA-N 302.378 -0.102 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)COC)C1 1048535463 NVIDGOKNKVZACE-AVGNSLFASA-N 314.382 -0.498 30 20 DBED C#CCCCC(=O)N(C)[C@H]1CN(C(=O)[C@H](O)C(C)C)C[C@@H]1O 1048750585 XQJKVEPGOZAEBD-KCQAQPDRSA-N 310.394 -0.163 30 20 DBED N#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1nnc(O)nc1O 1049573239 RGTVHACXBBIYKL-RKDXNWHRSA-N 304.310 -0.515 30 20 DBED COCCn1cc(C(=O)N2CCC[C@H]3CN(CC#N)C[C@H]32)nn1 1050045321 DFIOEKZGJOVXMU-GXTWGEPZSA-N 318.381 -0.016 30 20 DBED N#CCN1C[C@@H]2CCCN(C(=O)C[C@@H]3CC(=O)NC3=O)[C@@H]2C1 1050221505 ZXVFCZJEKYNKBH-SDDRHHMPSA-N 304.350 -0.514 30 20 DBED C#CCCN1CCC2(CC1)CN(C(=O)c1nnc(O)nc1O)C2 1050581267 IYIGRXJMEJTNAD-UHFFFAOYSA-N 317.349 -0.156 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)[C@@H]1CC(=O)N(CC)C1)CCO2 1053278832 ACFSOYSZFOGVCU-CQSZACIVSA-N 319.405 -0.209 30 20 DBED CCn1nnc(C)c1C(=O)N1CCOC2(CN(CC#N)C2)C1 1053285574 JJPHHPLSMCSFPR-UHFFFAOYSA-N 304.354 -0.343 30 20 DBED N#CCN1CC2(C1)CN(C(=O)c1cccc(C(N)=O)n1)CCO2 1053546855 VOEHCUKXTRTUNA-UHFFFAOYSA-N 315.333 -0.769 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)c3c[nH]c(C(N)=O)c3)CO2)C1 1054009545 ZCVBDNWEFNOSFM-SNVBAGLBSA-N 303.322 -0.790 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC[C@](CO)(NC(=O)C(F)F)C1 1055683143 TXXIURGBMMVNQU-YGRLFVJLSA-N 318.320 -0.241 30 20 DBED C=CCCC(=O)N[C@@]1(CO)CCCN(C(=O)[C@H]2CCC(=O)N2)C1 1055822481 STXXFHZNSSVHLD-WBMJQRKESA-N 323.393 -0.299 30 20 DBED C=CCOCC(=O)N[C@]1(CO)CCCN(C(=O)[C@H](C)C#N)C1 1055831354 LYDJYRZYWGKDEB-IUODEOHRSA-N 309.366 -0.182 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@](CO)(NC(=O)CC(C)(C)O)C1 1055915229 VHHOZXQEDUQYJA-ABAIWWIYSA-N 311.382 -0.223 30 20 DBED N#Cc1ccc(N2C[C@@H]3C(NC(=O)Cn4nccn4)[C@H]3C2)nc1 1056316010 OEBBCKILQIBVCF-RYUDHWBXSA-N 309.333 -0.204 30 20 DBED C#CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)/C=C/C1CC1 1057271343 KPCYYKMLHYLFCK-YBJDMEARSA-N 308.378 -0.072 30 20 DBED C=C[C@@H](C)[C@@H](C)C(=O)N(CCO)CCNC(=O)Cn1ncnn1 1058434942 APBVERALISIQCL-VXGBXAGGSA-N 324.385 -0.932 30 20 DBED COc1c(C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N)cnn1C 1058655360 WUPXCXKJFKZZBM-JTQLQIEISA-N 323.353 -0.861 30 20 DBED Cc1nn(C)cc1CC(=O)NCCN(CCO)C(=O)[C@@H](C)C#N 1058660653 FGSZMGRDXRIDHS-NSHDSACASA-N 321.381 -0.632 30 20 DBED N#Cc1nc(=N[C@H]2C[C@H](NC(=O)c3c[nH]c(=O)cn3)C2)cc[nH]1 1059388431 RRAMIMFTNPKLRE-KYZUINATSA-N 311.305 -0.774 30 20 DBED C#CCOCCC(=O)NCC1(NC(=O)CNC(C)=O)CCC1 1063036674 LKWUYFHSWWUPGL-UHFFFAOYSA-N 309.366 -0.683 30 20 DBED N#Cc1ccc(N2CCO[C@@H](CNC(=O)[C@H]3CCOC3)C2)nn1 1063619374 SYHMHJUBATUHER-AAEUAGOBSA-N 317.349 -0.294 30 20 DBED C#CCNC(=O)CC(=O)N1CCO[C@@H](CNC(=O)[C@H](C)CC)C1 1065064174 USQCWYRKHSNPPG-OLZOCXBDSA-N 323.393 -0.484 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCO[C@@H](CNC(=O)c2cnon2)C1 1065096861 LOYNHCIQDZVAQD-IINYFYTJSA-N 324.337 -0.646 30 20 DBED C[C@]1(NC(=O)[C@@H]2COC(=O)N2)CCN(c2nccnc2C#N)C1 1065251099 PXFZWZPVQIRXOR-HZMBPMFUSA-N 316.321 -0.458 30 20 DBED Cc1cc(C#N)nc(N2C[C@H]3C[C@@H](NC(=O)C(N)=O)C[C@H]2C3)n1 1065553535 BZSIWGKQGHYQTM-HOSYDEDBSA-N 314.349 -0.385 30 20 DBED C=CCOCC(=O)N[C@@H]1CCCN(C(=O)Cn2ncnn2)CC1 1065987641 RJHIEWQRKRCLKT-GFCCVEGCSA-N 322.369 -0.627 30 20 DBED N#Cc1cncc(N2CCOC[C@H]2CNC(=O)c2cnon2)n1 1066497707 SNABDKJBPCUTBD-SNVBAGLBSA-N 315.293 -0.634 30 20 DBED N#Cc1cncc(N2C[C@H]3C[C@H](NC(=O)C(N)=O)CC[C@H]3C2)n1 1068267342 QLVLTHPBNAYRKL-HBNTYKKESA-N 314.349 -0.445 30 20 DBED C#CCOCCC(=O)N1CC2(C[C@H](NC(=O)COCC)CO2)C1 1068675351 HFXSUXNARYBPPP-ZDUSSCGKSA-N 324.377 -0.451 30 20 DBED CC(C)(C)C#CC(=O)N[C@H]1COC2(C1)CN(C(=O)C(N)=O)C2 1068865708 ZXBAWJRSLILGPD-SNVBAGLBSA-N 307.350 -0.993 30 20 DBED C=CCCC(=O)N1CC2(C[C@@H](NC(=O)[C@@H]3CNC(=O)N3)CO2)C1 1068988204 CARWZNVVNHWNSB-MNOVXSKESA-N 322.365 -0.880 30 20 DBED C[C@@H]1CCO[C@@H]1C(=O)N1C[C@H](n2ccnn2)[C@H](NCC#N)C1 1070277431 PWMHIYTVNZFPPM-NDBYEHHHSA-N 304.354 -0.432 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)C[C@@H]4CCNC4=O)C[C@@]3(C1)O2 1070808605 XIVVNASDKGCUNI-SZOQZIPDSA-N 317.389 -0.553 30 20 DBED C#CCCN1C[C@@H](NC(=O)Cn2ncn(C)c2=O)CC[C@H]1C 1071626420 VTIZEECXDWRJMH-OLZOCXBDSA-N 305.382 -0.426 30 20 DBED C=CCOCC(=O)N1C[C@@H](NC(=O)Cn2cnnc2O)[C@H](C)C1 1071808903 MUACTUKZGJKYFC-GHMZBOCLSA-N 323.353 -0.851 30 20 DBED C=CCOCC(=O)N1C[C@H](C)[C@@H](NC(=O)CCn2ccnn2)C1 1071809722 XXNCJUAUAYOKQA-STQMWFEESA-N 321.381 -0.166 30 20 DBED C#CCCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)CCn2cnnn2)C1 1071993069 XWNUQJBAJHWZQN-OLZOCXBDSA-N 318.381 -0.170 30 20 DBED C#CCCN1CCC2(C1)CN(C(=O)Cn1nc(C)n(C)c1=O)C2 1073158226 REZWPAGVOSXFOY-UHFFFAOYSA-N 317.393 -0.552 30 20 DBED C#CCCN1CCCO[C@H](CNC(=O)[C@@H]2CCCNC2=O)C1 1073649028 KJCSMSZWJGMADW-ZIAGYGMSSA-N 307.394 -0.257 30 20 DBED C=C(C)CCC(=O)NCC[C@H](C)NC(=O)C[C@@H]1NC(=O)NC1=O 1076798494 DQBBKRKLYMISBK-QWRGUYRKSA-N 324.381 -0.048 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC(=O)N(CC)C2)C1 1077083967 KNJMHRCTKVMKPY-IJLUTSLNSA-N 315.801 -0.231 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)c2ccc3nc(O)[nH]c3n2)C1 1077576139 BLECPJGLWILUKW-VXGBXAGGSA-N 315.333 -0.538 30 20 DBED Cc1nn(CC(=O)NCC[C@H](C)NC(=O)[C@H](C)C#N)c(=O)n1C 1077814495 LNQGTKITXABXDR-ZJUUUORDSA-N 322.369 -0.939 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)Cc1ncc[nH]1 1078034265 VDLPANAZDPAGKV-NSHDSACASA-N 319.365 -0.897 30 20 DBED C#CCOCCC(=O)N1CC(N(CC)C(=O)c2cn(C)nn2)C1 1079710146 YHFAZHPKBWOEEV-UHFFFAOYSA-N 319.365 -0.472 30 20 DBED CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)c2nnn(C)c2C)C1 1080412012 ZUMRNDLXUMXXHD-SECBINFHSA-N 304.354 -0.044 30 20 DBED CCOCC(=O)NC[C@@H]1CN(C(=O)CSCC#N)C[C@@H]1O 1081211809 DYRKQYBFVSMHSN-MNOVXSKESA-N 315.395 -0.785 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)CN2CCCC2)C[C@H]1O 1081465246 DHJVDVVTTGDMKN-LSDHHAIUSA-N 321.421 -0.323 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)Cn1cc(C2CC2)nn1 1081793132 SSXWLFZXOLBQTN-CHWSQXEVSA-N 304.354 -0.506 30 20 DBED C=CCN1C[C@@H](NC(=O)Cc2c(C)nc(O)nc2O)[C@H](OC)C1 1082268068 NYLPNWFZABBYOZ-VXGBXAGGSA-N 322.365 -0.260 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cnn(C)c1OC 1083260379 YNTRKOOPEOARSI-UONOGXRCSA-N 318.377 -0.023 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)C[C@@H]2CCNC2=O)C1 1083519871 MUIQKPIQUNSHFX-AXFHLTTASA-N 301.774 -0.574 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCCCS2(=O)=O)C1 1083522086 SSDSPSCFBCNJRZ-FRRDWIJNSA-N 316.423 -0.309 30 20 DBED CNC(=O)NCC(=O)N[C@@H](C)C[C@@H](C)N=c1cc[nH]cc1C#N 1089498571 IZKYHCOQFYYHRC-MNOVXSKESA-N 318.381 -0.001 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)c2cc(C(N)=O)cn2C)[C@H](O)C1 1090397519 BEAWEOYSASMISJ-GXTWGEPZSA-N 320.393 -0.135 30 20 DBED N#Cc1ccc(F)cc1CN1CC[C@H](NC(=O)C(N)=O)[C@H](O)C1 1090532074 QQXRXPMPJYZBNT-QWHCGFSZSA-N 320.324 -0.766 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCN(CCOC)C[C@@H]2O)nn1 1090632585 IOJAKORBTLAEMF-AAEUAGOBSA-N 309.370 -0.725 30 20 DBED C#CCN1CC[C@H](NC(=O)Cn2c(C)csc2=O)[C@H](O)C1 1090797175 VGGMGTXBPSSOAF-NWDGAFQWSA-N 309.391 -0.597 30 20 DBED Cc1cc(C#N)nc(N2C[C@H](O)[C@H](NC(=O)C#CC(C)C)C2)n1 1091096331 MNUFZULROJJSBZ-KGLIPLIRSA-N 313.361 -0.018 30 20 DBED N#Cc1nccc(N2C[C@H](O)[C@H](NC(=O)C3(CF)CC3)C2)n1 1091181101 UFVXFTAORHEVGQ-ZJUUUORDSA-N 305.313 -0.236 30 20 DBED COC[C@H](OC)C(=O)N1CCN(c2ccnc(C#N)n2)CC1 1093193210 FXIOGSIPXHGUSG-NSHDSACASA-N 305.338 -0.342 30 20 DBED C[C@H](CS(C)(=O)=O)C(=O)NCCN=c1cc[nH]cc1C#N 1093681049 OBETWANVGMEYQX-SNVBAGLBSA-N 310.379 -0.416 30 20 DBED N#Cc1ccc(NCCNC(=O)CCCS(N)(=O)=O)nc1 1094077887 CIZUFZAATAXGCU-UHFFFAOYSA-N 311.367 -0.450 30 20 DBED C=CCN1CC(n2cc(CNC(=O)C3=COCCO3)nn2)C1 1094271062 MNEMKRCTHPRXHB-UHFFFAOYSA-N 305.338 -0.175 30 20 DBED N#Cc1ccc(NCCCNC(=O)CC2CS(=O)(=O)C2)nn1 1094652294 YKPSLUCSPWPSPM-UHFFFAOYSA-N 323.378 -0.299 30 20 DBED CCN1CCOC[C@H]1C(=O)NCCCNc1cnc(C#N)cn1 1094654707 STPVZNWBGCDNAX-ZDUSSCGKSA-N 318.381 -0.013 30 20 DBED N#Cc1nc(=NCCCNC(=O)c2cc3n(n2)CCO3)cc[nH]1 1094860188 MAKBISVIWDQCTP-UHFFFAOYSA-N 313.321 -0.409 30 20 DBED CC(=O)NCC(=O)N[C@H]1CCCN(c2nc(C)cc(C#N)n2)C1 1096133386 VOSNEDDQDIFDKM-LBPRGKRZSA-N 316.365 -0.122 30 20 DBED C=CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C1CC2(C1)NC(=O)NC2=O 1096150599 PLJAGQUDPNSACL-LLGOSHAHSA-N 318.377 -0.118 30 20 DBED CNS(=O)(=O)CC(=O)N[C@H]1CCN(c2ccc(C#N)cn2)C1 1096382726 QHTLOZFAKLAZID-NSHDSACASA-N 323.378 -0.803 30 20 DBED N#Cc1nccnc1N1CCC2(CC1)C[C@@H]2NC(=O)CC(N)=O 1096506994 IACBBVFPODSLSH-NSHDSACASA-N 314.349 -0.301 30 20 DBED CC(=O)NCC(=O)N1CC[C@H](N=c2cc(C)[nH]cc2C#N)C1 1096913144 MUSCYRWXEDJOOT-ZDUSSCGKSA-N 301.350 -0.168 30 20 DBED C[C@@H](CC(N)=O)C(=O)N[C@H]1C[C@H](N=c2cc[nH]c(C#N)n2)C1 1097086021 DQOFNDCPVZMTOG-GUBZILKMSA-N 302.338 -0.659 30 20 DBED Cc1nc(N[C@@H](C)CNC(=O)Cn2ncnn2)ccc1C#N 1098084814 VIQMIOCVNNENJN-VIFPVBQESA-N 300.326 -0.135 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CCN(C)C1=O)Nc1cnc(C#N)cn1 1098193442 DDKFASFYVXTXQO-ONGXEEELSA-N 302.338 -0.257 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1nc(O)nc(O)c1OC 1098209367 WXJABBRMDRJCJG-BBBLOLIVSA-N 318.333 -0.135 30 20 DBED C#CCN(CCO)C1CCN(C(=O)[C@H](C)S(C)(=O)=O)CC1 1098406543 RPOVJSXUKGCWFQ-LBPRGKRZSA-N 316.423 -0.662 30 20 DBED C#CCNC(=O)CNCc1cn([C@@H]2CCN(C(=O)CC)C2)nn1 1098587926 CALLZCPQERZJPZ-CYBMUJFWSA-N 318.381 -0.700 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)CCn2cncn2)[C@H](O)C1 1099679193 WAZZEKBXRNULON-UONOGXRCSA-N 323.397 -0.578 30 20 DBED C#CCOCCC(=O)N[C@H]1CCN(Cc2nncs2)C[C@H]1O 1099835259 FNTAADHRMCXBOX-NWDGAFQWSA-N 324.406 -0.371 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)C2(C)CC=CC2)[C@@H](O)C1 1099979610 XRLCPPZFJPNSHF-KBPBESRZSA-N 319.405 -0.357 30 20 DBED N#CCNC(=O)CN1CC[C@@H](NC(=O)Cc2ccco2)[C@@H](O)C1 1100042318 XQGSMKUIUCYJJW-OLZOCXBDSA-N 320.349 -0.987 30 20 DBED CN1CCO[C@@H](C(=O)N(C)CCN=c2cc[nH]cc2C#N)C1 1101537975 CBWWHZCCEDWHKR-CQSZACIVSA-N 303.366 -0.424 30 20 DBED CCS(=O)(=O)CC(=O)N(C)CCN=c1cc[nH]c(C#N)n1 1101647070 JEWNMMMKLIMVQP-UHFFFAOYSA-N 311.367 -0.925 30 20 DBED CN(C)CC1(C(=O)N(C)CCN=c2cc[nH]c(C#N)n2)CC1 1101934107 LDYYVPUSGZPMTH-UHFFFAOYSA-N 302.382 -0.018 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H](CC)Nc1cncc(C#N)n1 1103039224 DYQLNBPWWUPNID-NSHDSACASA-N 314.349 -0.206 30 20 DBED CCC(=O)N[C@H](C)C(=O)NC[C@H](C)CN=c1cc[nH]c(C#N)n1 1104247972 QSKQFNHJLZQWNP-GHMZBOCLSA-N 318.381 -0.151 30 20 DBED C=CCNCc1cn(C2CN(C(=O)COCCOC)C2)nn1 1105197462 UGESDWRKAURLSI-UHFFFAOYSA-N 309.370 -0.400 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(n2cc(CNCC#CC)nn2)C1 1105238381 XZURNMNUJWGMEA-CYBMUJFWSA-N 315.377 -0.187 30 20 DBED C=C(C)CNCc1cn(C2CN(C(=O)CC(=O)N(C)C)C2)nn1 1105340876 UQSUCNFUSINKFI-UHFFFAOYSA-N 320.397 -0.195 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H](O)CNc1nc(C)cc(C#N)n1 1105970793 MYCNRHDAKAFWGE-YPMHNXCESA-N 317.349 -0.416 30 20 DBED CC(C)(C(N)=O)C(=O)NC[C@@H](O)CNc1ncccc1C#N 1105997498 TVSQBOPWDMMSEV-JTQLQIEISA-N 305.338 -0.646 30 20 DBED Cc1cc(=NC[C@H](O)CNC(=O)c2[nH]nnc2C)c(C#N)c[nH]1 1106035653 JRNJZGDYQLKNCU-NSHDSACASA-N 315.337 -0.687 30 20 DBED C[C@H](NC(N)=O)C(=O)N[C@H](C)CCN=c1cc[nH]cc1C#N 1106297528 HQSZARSDPJIHSW-ZJUUUORDSA-N 304.354 -0.261 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)c2nonc2C)C[C@H]1C 1107083996 WJFSRINQMSUYPY-ZYHUDNBSSA-N 319.365 -0.575 30 20 DBED C#CCCN1CCO[C@](C)(CNC(=O)c2nnn(C)c2C)C1 1107837352 JKWFGVMWMLCHDW-OAHLLOKOSA-N 305.382 -0.032 30 20 DBED C[C@H](CNc1nccnc1C#N)NC(=O)C(=O)NCC1CC1 1107905706 GBLXHWZYVMBIQP-SECBINFHSA-N 302.338 -0.209 30 20 DBED CC#CCN1CCO[C@@](C)(CNC(=O)[C@@H]2CCN(C)C2=O)C1 1108145555 MBHNQZMXRSKSOD-BBRMVZONSA-N 307.394 -0.305 30 20 DBED N#CCSCC(=O)N[C@H]1CC(=O)N(C2CN(CCF)C2)C1 1108511935 YNAOZNYJEIBALV-JTQLQIEISA-N 314.386 -0.386 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H]1CC(=O)N(C2CN(CCC)C2)C1 1108546293 TVFCHHMOPCMGRI-STQMWFEESA-N 307.394 -0.164 30 20 DBED COCC#CCN1CC(N2C[C@H](NC(=O)[C@@H]3C[C@H]3C)CC2=O)C1 1108559875 YOJRMYOWKGETKX-UMVBOHGHSA-N 319.405 -0.307 30 20 DBED COCC#CCN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1ncnn1)C2 1108687903 JZCKSNOXIGPHBQ-MJBXVCDLSA-N 318.381 -0.708 30 20 DBED CC#CCN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1ncn(C)c1=O)C2 1108716202 KTRCUTCWHTUAIF-MJBXVCDLSA-N 317.393 -0.426 30 20 DBED N#Cc1cccnc1NC[C@@H](NC(=O)Cn1cnnn1)C1CC1 1109775176 CIBORDNCLPZWSP-GFCCVEGCSA-N 312.337 -0.053 30 20 DBED C#CCNC[C@]12CCC[C@H]1CN(C(=O)CCn1cnnn1)C2 1112551306 SQMVZYJSSAVBTG-ZFWWWQNUSA-N 302.382 -0.085 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)[C@@H](C)n2cccn2)CC1 1112624281 VJVYSXXFBROVIP-UONOGXRCSA-N 317.393 -0.274 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)C3CCOCC3)[C@H]2C1 1113769723 LVNJQMAPHUAETN-RZFFKMDDSA-N 319.405 -0.403 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)N(C)c1ccc(C#N)nc1 1113801848 BKYHBLTZNZEQAV-GWCFXTLKSA-N 316.365 -0.082 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)CSCC#N)[C@H]2C1 1113899903 WNMBGCNSCBMOHT-NMKXLXIOSA-N 322.434 -0.020 30 20 DBED C[C@@H](CNC(=O)CC(=O)N(C)C)N(C)c1cnc(C#N)cn1 1113916872 MFLGWOZEEPCKHP-JTQLQIEISA-N 304.354 -0.233 30 20 DBED C=CCCC(=O)NC1[C@H]2CN(CCN3C(=O)CNC3=O)C[C@H]12 1114024971 HCIKSPQISZQLOP-QWRGUYRKSA-N 306.366 -0.449 30 20 DBED N#CCNC(=O)CN1C[C@H]2C(NC(=O)/C=C/c3ccc[nH]3)[C@@H]2C1 1114183903 HJZWWHVVNJJLNX-CDJBXZAQSA-N 313.361 -0.286 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)CCn3ccnn3)[C@@H]2C1 1114187632 YRFMIRUMQLILHH-CHWSQXEVSA-N 303.366 -0.636 30 20 DBED C#CCOCCC(=O)N[C@H]1[C@@H]2CN(CC(=O)N3CCC3)C[C@@H]21 1114266844 XVNJCHUJPLDIQF-VIKVFOODSA-N 305.378 -0.695 30 20 DBED CC[C@]1(C(=O)NC2[C@@H]3CN(CC#CCOC)C[C@@H]23)CCNC1=O 1114422607 FLKPTYJJLCGJFE-XNJGSVPQSA-N 319.405 -0.401 30 20 DBED N#Cc1nccnc1N1C[C@H]2[C@H](CNC(=O)Cn3nccn3)[C@H]2C1 1114580492 NWRBSXGDDTUMPC-CNDDSTCGSA-N 324.348 -0.562 30 20 DBED CC(=O)N(C)CC(=O)N[C@H]1C[C@H](CN=c2cc[nH]c(C#N)n2)C1 1114749568 BFYAZQQIPKAGEP-HAQNSBGRSA-N 316.365 -0.445 30 20 DBED CN(CCOCCNC(=O)[C@H]1CCOC1)c1ccc(C#N)nn1 1115180672 SOFWKCJXQPDENE-LBPRGKRZSA-N 319.365 -0.046 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)c3c[nH]c(C(N)=O)c3)[C@H]2C1 1115243083 IMQNOKJLRYRKOK-IMRBUKKESA-N 316.361 -0.577 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)[C@@H]3CCC(=O)N(C)C3)[C@@H]2C1 1115300396 RDAMVAQIQQXUSV-MGPQQGTHSA-N 319.405 -0.449 30 20 DBED C#CCN(C)c1nnnn1CCCN(C)S(=O)(=O)CC 1120126309 BYFZUBTVWFZRSW-UHFFFAOYSA-N 300.388 -0.586 30 20 DBED CCOCC(=O)NC[C@H](CO)Nc1cc(C#N)nc(CC)n1 1121003030 CKDVVQAWKFIZRP-LLVKDONJSA-N 307.354 -0.164 30 20 DBED N#CCNC(=O)CNC1CC2(C1)CC(NC(=O)c1ncc[nH]1)C2 1121058643 GXQATIBVYUWQQG-UHFFFAOYSA-N 316.365 -0.320 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)CNC(=O)C2CC2)cn1 1121099866 MBTYJRNWGDDGAG-CYBMUJFWSA-N 317.349 -0.632 30 20 DBED CCO[C@@H](C)C(=O)NC[C@H](CO)Nc1nc(C)cc(C#N)n1 1121223948 ZEKKSIHWOMEPNC-CMPLNLGQSA-N 307.354 -0.029 30 20 DBED CNC(=O)CC(=O)NC[C@@H](CO)Nc1cccc(F)c1C#N 1121370760 HBSARQXQSDMSPE-VIFPVBQESA-N 308.313 -0.278 30 20 DBED Cc1ccc(C#N)c(N[C@H](CO)CNC(=O)c2cnnn2C)n1 1121385641 INASLYSBTDZMEE-NSHDSACASA-N 315.337 -0.407 30 20 DBED Cc1nc(C(=O)NC[C@@H](CO)N=c2cc[nH]c(C#N)n2)c(C)o1 1121915059 XEIJJXRXHBMEFK-JTQLQIEISA-N 316.321 -0.422 30 20 DBED Cc1nnccc1C(=O)NC[C@H](CO)Nc1cnc(C#N)cn1 1122849908 CYKIPNYQISYRGJ-LLVKDONJSA-N 313.321 -0.351 30 20 DBED CN(C[C@@H](O)CNc1cncc(C#N)n1)C(=O)Cc1cc[nH]n1 1124184388 GFVBEXYELLZOBA-LBPRGKRZSA-N 315.337 -0.455 30 20 DBED CN(C[C@@H](O)CNc1cncc(C#N)n1)C(=O)C1=CCOCC1 1124257139 QIBJBZKEUGGIMQ-ZDUSSCGKSA-N 317.349 -0.074 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)[C@H]1CCCCO1 1125718539 TWYAFRORINJFBU-LLVKDONJSA-N 312.370 -0.727 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)C1=CCOCC1 1126148795 WGMCBXFFGPKTPO-NSHDSACASA-N 324.381 -0.561 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)CN(C)C2CCC2)C1=O 1129531967 ODEMAUQIRFRZAO-AWEZNQCLSA-N 308.426 -0.037 30 20 DBED C#CCOCCC(=O)N1C[C@H](n2ccnn2)[C@H](NCC#N)C1 1129844225 FMWCLHZUEQGJQN-OLZOCXBDSA-N 302.338 -0.817 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@@]1(COC)CCOC1 1131905160 GMMWHPLVAJFWGV-IUODEOHRSA-N 313.398 -0.564 30 20 DBED C#CCNC[C@@H]1CN(C(=O)CCNS(C)(=O)=O)CC[C@@H]1C 1132864902 FEKPFTVSJAVYAY-QWHCGFSZSA-N 315.439 -0.367 30 20 DBED C=CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)c1nccnc1N 1133952853 FMWRAWQGSOAGAR-QWRGUYRKSA-N 320.397 -0.153 30 20 DBED C=CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)c1cn(C)nn1 1134298820 MPAMSVUIJZCKLI-MNOVXSKESA-N 308.386 -0.396 30 20 DBED C[C@@H](C[C@H](C)NC(=O)CN(C)C1CCC1)NCC(=O)NCC#N 1134607990 OYJUNFAUAVPDMF-STQMWFEESA-N 323.441 -0.017 30 20 DBED C=C(C)CCN[C@@H](C)C[C@H](C)NC(=O)CNS(=O)(=O)NC 1135119948 QWLUPIRSLMGMKO-RYUDHWBXSA-N 320.459 -0.121 30 20 DBED C=CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)CC(=O)N(C)C 1135636485 VKHLZSWANTZWJM-NEPJUHHUSA-N 312.414 -0.360 30 20 DBED CCO[C@H]1C[C@@H]1C(=O)N1CC2(CCN(CC(=O)NCC#N)C2)C1 1147079917 VNRQCADTWPROAH-STQMWFEESA-N 320.393 -0.415 30 20 DBED C=CCNC(=O)CN1CCC2(C1)CN(C(=O)[C@@]13COC[C@@H]1C3)C2 1147597684 FRMHRVOVZXKGQD-GUYCJALGSA-N 319.405 -0.141 30 20 DBED CC#CCN1CCCO[C@@H](CNC(=O)Cc2n[nH]c(C)n2)C1 1149680843 FQKHZOBJEHGMFG-ZDUSSCGKSA-N 305.382 -0.114 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@@H](C)Cc1c(C)n[nH]c1C 1151545484 FZNMKEPYJPHHBJ-NSHDSACASA-N 319.409 -0.340 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@H]1COc2ccccc21 1153508309 WWTBEHGOCUSOKY-ZDUSSCGKSA-N 301.346 -0.382 30 20 DBED C=CCNC(=O)CNCCNC(=O)C1CCC(NC(C)=O)CC1 1153632352 HRUZVFZREKWGQX-UHFFFAOYSA-N 324.425 -0.311 30 20 DBED N#Cc1ccc(C(=O)NCCCNCC(=O)N2CCOCC2)[nH]1 1156703331 LRLBNKPVZTUTTP-UHFFFAOYSA-N 319.365 -0.545 30 20 DBED C#CCNC(=O)CC(=O)NCCCNCCc1ccnn1C 1156847951 MEAKBAWXBKRBIU-UHFFFAOYSA-N 305.382 -0.802 30 20 DBED C=CCN1CC=C(CCNC(=O)CNS(=O)(=O)NC)CC1 1160804140 AGPYATVAQQZJTC-UHFFFAOYSA-N 316.427 -0.635 30 20 DBED CCc1c(C(=O)NCCCNCC(=O)NCC#N)nnn1CC 1166526219 SOPDUNWKFMDSTE-UHFFFAOYSA-N 321.385 -0.790 30 20 DBED C[C@@H](CC(=O)NCCCNCC(=O)NCC#N)n1ccnc1 1167432555 WLHZJFYEGMPWQB-LBPRGKRZSA-N 306.370 -0.430 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)C(C)(C)NC(C)=O)C[C@H]21 1177108203 ZHLPYBCKQLDBIF-ZIAGYGMSSA-N 307.394 -0.164 30 20 DBED C=CCN1CC[C@@H](N[C@H]2CCN(C(=O)CNC(N)=O)[C@H]2C)C1=O 1178093093 DHIQINZXGUJQJB-SDDRHHMPSA-N 323.397 -0.979 30 20 DBED COCC#CCN[C@H]1CCN(C(=O)c2cc(=O)n(C)o2)[C@H]1C 1178555822 XBAKPXOFQVEJBT-RYUDHWBXSA-N 307.350 -0.179 30 20 DBED C=CCCN[C@H]1CCN(C(=O)CNS(=O)(=O)NC)[C@H]1C 1179248358 HSKKYAMRWLXVEN-QWRGUYRKSA-N 304.416 -0.805 30 20 DBED C#CCC1(C(=O)N2CC[C@@H](N[C@H]3CCNC3=O)C2)CCOCC1 1183200543 RSZPHIJTOGCMBF-KGLIPLIRSA-N 319.405 -0.115 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2cnnc(O)c2)C1 1183465149 DSLXJYPDRJRWSK-CMPLNLGQSA-N 319.365 -0.323 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](CNCCCO)[C@H](C)C1 1184241568 MXKCVMRWRFRTEU-KGLIPLIRSA-N 309.410 -0.418 30 20 DBED C#CCNC[C@@H]1CCN(C(=O)CCNS(C)(=O)=O)C[C@@H]1C 1184523419 LPQYKCPMEDLLHX-STQMWFEESA-N 315.439 -0.367 30 20 DBED N#CCNC[C@H]1CN(C(=O)[C@@H]2COCCO2)CC12CCOCC2 1186265756 WHIPDEKSVKLHEE-KBPBESRZSA-N 323.393 -0.230 30 20 DBED N#CCNC[C@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)CC12CCOCC2 1186494682 NMEILSQZXCOQBC-XQQFMLRXSA-N 320.393 -0.524 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2oncc2C)C1 1186754687 MLDYBAZXCLDONX-VXGBXAGGSA-N 304.350 -0.075 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)[C@@H](C)NC(=O)CC)C1 1190307623 KVHDRPYDMJFSMF-CHWSQXEVSA-N 324.425 -0.264 30 20 DBED C=C(C)CN(C)[C@H]1CCN(C(=O)CNC(=O)CNC(C)=O)C1 1190989753 UDQXJSJWWJFGPD-ZDUSSCGKSA-N 310.398 -0.653 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)/C=C/C(C)(C)C)C1 1191825098 YGIYNHLTFTTWQM-VSGOKCJSSA-N 321.421 -0.112 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)Cc2cnoc2)C1 1191923494 WWPHBNQSLRIHJR-ZDUSSCGKSA-N 304.350 -0.501 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2cncc(C#C)c2)C1 1192284820 WZTFJJHDRADLGH-MRXNPFEDSA-N 324.384 -0.041 30 20 DBED CN(CC(=O)NCC#N)[C@H]1CCN(C(=O)c2ncccn2)C1 1192989032 SYYCHDNUCQMYHH-NSHDSACASA-N 302.338 -0.737 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)CCc2ccnn2C)C1 1193427107 CBWBQLLVBGROSJ-HUUCEWRRSA-N 322.409 -0.283 30 20 DBED CCOCC1(C(=O)N[C@@H]2CN(CC#CCOC)C[C@H]2O)CC1 1194252043 XBMNQPOONOGWDR-ZIAGYGMSSA-N 310.394 -0.386 30 20 DBED C=CCCCN1C[C@@H](O)[C@H](NC(=O)c2ccc(C(N)=O)[nH]2)C1 1196199496 JZIHCKJDQJXDEP-CHWSQXEVSA-N 306.366 -0.145 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)C2(NC(N)=O)CCCCC2)C1 1196658391 BHHVQMHKURQOPR-GHMZBOCLSA-N 309.370 -0.958 30 20 DBED CC(C)=CC(=O)N1CCCO[C@H](CNCC(=O)NCC#N)C1 1199778681 ANEKTNXIAOAEDL-CYBMUJFWSA-N 308.382 -0.201 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)[C@H]2CN(C)C(=O)N2)CCCO1 1201156683 ZGTJLBLHFKTNRX-CHWSQXEVSA-N 308.382 -0.760 30 20 DBED C=CCCNC[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)CCCO1 1202013903 OAPFOFGHQKAOGA-GFCCVEGCSA-N 324.381 -0.679 30 20 DBED C#CCN[C@@H]1C[C@H](NC(=O)CS(=O)(=O)N(C)C)C12CCC2 1203671578 UFFPKNSRVVPAPJ-NEPJUHHUSA-N 313.423 -0.472 30 20 DBED CC(=O)NCC(=O)N1CC2(CCN(CC#N)CC2)[C@H]2COC[C@H]21 1205471769 QKHLYDBDBOCNBM-UONOGXRCSA-N 320.393 -0.415 30 20 DBED CC#CCNCC1CCN(C(=O)c2nnc(O)nc2O)CC1 1205625719 WYOBDFPKRFVPNO-UHFFFAOYSA-N 305.338 -0.252 30 20 DBED C#CCCNCC1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 1206268211 UQEQMFRXXPQIGH-UONOGXRCSA-N 307.394 -0.129 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)Cc2cc[nH]n2)[C@H](C)C1 1206712737 CEHVSBHJVZQHAL-DGCLKSJQSA-N 305.382 -0.309 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)Cc2ccnn2C)C1 1207913886 GCEMUVZMTOYRBE-CYBMUJFWSA-N 317.393 -0.707 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)/C(C)=C/C)[C@H](OC)C1 1212106708 FIIQODHPCKMRKP-WGAXFZFBSA-N 307.394 -0.094 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@]1(CC(C)C)CCNC1=O 1212426252 URZMHGHQINCFAL-IOASZLSFSA-N 322.409 -0.122 30 20 DBED C=CCN[C@@H]1CN(C(=O)[C@H](C)NS(=O)(=O)CC)C[C@H]1C 1214683629 FLZGBOHZXYEKJR-GRYCIOLGSA-N 303.428 -0.063 30 20 DBED COCC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cnn(C)c1 1217249118 QURWAQCTESRMTB-LSDHHAIUSA-N 318.377 -0.405 30 20 DBED C=CCCC(=O)N[C@@H]1CN(CCNC(=O)NC(C)C)C[C@@H]1O 1219344284 FQDAZYXZSTXBQQ-OLZOCXBDSA-N 312.414 -0.179 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)C2=CCCC2)C1 1219455441 KEFIUWPXHNVKEX-YUTCNCBUSA-N 305.378 -0.604 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)C2=CCOCC2)C1 1219505692 IKBUVQGLROBKFU-YUTCNCBUSA-N 323.393 -0.815 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(CCc2cnn(C)c2)C[C@@H]1O 1219587739 SVNAFUAHGGULFS-CABCVRRESA-N 304.394 -0.217 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2csc(C)n2)C1 1220211038 FCZSRGQMBCKPJI-PWSUYJOCSA-N 324.406 -0.471 30 20 DBED C=CCCC1(C(=O)N[C@@H]2CN(CCOCCO)C[C@@H]2O)CC1 1220289756 CLPSOFFSMOEYLO-KGLIPLIRSA-N 312.410 -0.097 30 20 DBED C=CCC[C@H](C)N1C[C@H](O)[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1 1220538898 COHMFYVIMNZHET-UHTWSYAYSA-N 323.393 -0.445 30 20 DBED C#CCOCCC(=O)N1C[C@H]2CCN([C@H]3CCN(C)C3=O)C[C@H]21 1221542720 SIAMOBABFBWVCR-QLFBSQMISA-N 319.405 -0.210 30 20 DBED C=C(C)CN1CC[C@@H]2CN(C(=O)CS(=O)(=O)N(C)C)[C@@H]2C1 1221989200 ZYJQGYQXYNBURZ-CHWSQXEVSA-N 315.439 -0.013 30 20 DBED COCC#CCN1CC[C@@H]2CCN(C(=O)[C@H]3CCC(=O)N3)C[C@@H]21 1222428907 VJBZMQKJQYNWNV-KFWWJZLASA-N 319.405 -0.162 30 20 DBED COCC#CCN1CCC(CNC(=O)CNC(=O)OC)CC1 1222490658 GERFVDVNYDTUCP-UHFFFAOYSA-N 311.382 -0.180 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1CCN(Cc2nnn(C)n2)CC1 1223026851 BEROGKFAAYDEAH-HNNXBMFYSA-N 322.413 -0.135 30 20 DBED C#CCCN[C@@H]1CCCC[C@H]1NC(=O)c1cn(CC(N)=O)nn1 1230266614 QDOVEUZJNJVVLB-VXGBXAGGSA-N 318.381 -0.583 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@@H]1CN(C)C(=O)c1cnn(C)c1 1230714801 KCZVKNZVIFMDHA-GXTWGEPZSA-N 317.393 -0.296 30 20 DBED CC(C)N1CCC(NC(=O)C(=O)N2CCO[C@H](C#N)C2)CC1 1256862172 AHVUCGYDTJBWPD-CYBMUJFWSA-N 308.382 -0.274 30 20 DBED C=CC[C@@H](CC)NC(=O)C(=O)NCCNS(=O)(=O)CC 1258480805 BUXPSEFJLCEQNR-SNVBAGLBSA-N 305.400 -0.487 30 20 DBED COC(=O)c1cccc(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)n1 1261511302 BCQYPCDZQQGFJH-VIFPVBQESA-N 318.289 -0.442 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@H](NC(=O)CC2(O)CCC2)C1 1316976034 HXXWVKTYWRVFHT-OLZOCXBDSA-N 307.394 -0.380 30 20 DBED C#CCNC(=O)COC(=O)Cc1c(C)[nH]c2ccnn2c1=O 1318467603 NKFREFGLKUJAOW-UHFFFAOYSA-N 302.290 -0.834 30 20 DBED C#C[C@@H](C)NC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 1320521539 LHOAOIGJEAGXLX-NXEZZACHSA-N 311.363 -0.710 30 20 DBED CN(CC#N)C(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 1321288266 JJIQEWPCFPRTPK-UHFFFAOYSA-N 313.335 -0.104 30 20 DBED C=C[C@@H]1CCCCN1C(=O)C(=O)N1CCO[C@@H](C(=O)OC)C1 1325136723 ZLWBVUYCQOQTTA-VXGBXAGGSA-N 310.350 -0.046 30 20 DBED C[C@H](CO)NC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 1325889754 UQSMBMJHWXNVGD-SECBINFHSA-N 314.305 -0.426 30 20 DBED COC(=O)[C@@H]1C[C@H](O)CN(C(=O)C(=O)N2CCC(C#N)CC2)C1 1326249143 NMUFHYKTUMQSRG-NEPJUHHUSA-N 323.349 -0.869 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)N2CC[C@@](O)(C3CC3)C2)C1 1328426401 OYECBIBKOVDUNW-GJZGRUSLSA-N 307.350 -0.763 30 20 DBED C[C@@H](N)CN(C)C(=O)C(=O)N1CC(Oc2ccc(C#N)cc2)C1 1329162683 IQOCEJDATXCNEJ-LLVKDONJSA-N 316.361 -0.047 30 20 DBED NS(=O)(=O)c1ccc(NN=C2CCS(=O)(=O)CC2)nc1 1330311021 RTANTYWCZJYFLF-UHFFFAOYSA-N 318.380 -0.295 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC(n2cc(C(N)=O)nn2)CC1 1331704255 KTWSSCJOULCIRW-JTQLQIEISA-N 305.338 -0.421 30 20 DBED C#C[C@@H](NC(=O)C(=O)NCCC(=O)OC(C)C)[C@@H]1CCCO1 1340279341 QNCZDNXZEMZDNK-NEPJUHHUSA-N 310.350 -0.259 30 20 DBED C=C(C)Cn1c(CO)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1343521648 BLSCLUDTWOZQIY-SNVBAGLBSA-N 300.384 -0.030 30 20 DBED C#CCN(C)C(=O)C(=O)N1CC[C@](C)(NC(=O)C(F)(F)F)C1 1348700896 JWNVHCBNWYLQAR-LBPRGKRZSA-N 319.283 -0.253 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CCn3cccc3C2)nn1 1351490732 POOQSTMARFMCOU-UHFFFAOYSA-N 314.349 -0.076 30 20 DBED N#Cc1cn(CC(=O)N2CCSC[C@@H]2CCO)c(=O)nc1O 1362152515 MSNRPMZYHAEONA-JTQLQIEISA-N 324.362 -0.853 30 20 DBED COC(=O)C1(C#N)CCN(C(=O)N[C@H](C)C(=O)N(C)C)CC1 1364598345 PTRHVTYVPKOYJP-SNVBAGLBSA-N 310.354 -0.049 30 20 DBED CNC(=O)C[C@@H](C)NC(=O)N(C)CCCc1[nH]nc(N)c1C#N 1365591073 YSAQFBVUYAEALM-SECBINFHSA-N 321.385 -0.038 30 20 DBED COCc1cc(C(=O)N(C)C[C@H](O)CNC(=O)[C@H](C)C#N)no1 1384217646 SYHNMYOXVSQOBD-NXEZZACHSA-N 324.337 -0.470 30 20 DBED CS[C@H](C)C(=O)NC[C@@H](O)CNC(=O)c1c[nH]c(C#N)c1 1389067949 PMBPXJJHBSAOSI-LDYMZIIASA-N 310.379 -0.155 30 20 DBED Cc1nonc1CC(=O)NCCN(C)c1ccnc(C#N)n1 1396175066 ULJOCQBFOKQGEX-UHFFFAOYSA-N 301.310 -0.165 30 20 DBED C[C@H](CNC(=O)c1nc2ncccn2n1)NC(=O)[C@H](C)C#N 1400069781 PMCATLNVJAVSBA-RKDXNWHRSA-N 301.310 -0.482 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNCC(=O)Nc1ccccc1 1406205705 HCCHAYBGSOGOAF-DGCLKSJQSA-N 304.350 -0.149 30 20 DBED COCC(=O)NCCC(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H](C)C#N)C1 1406577797 WWMXPASMTZZEAN-SDDRHHMPSA-N 324.381 -0.690 30 20 DBED CCc1c(C(=O)NC[C@@H](O)CNC(=O)[C@@H](C)C#N)nnn1CC 1410166262 NSIIYHLCAKLUOE-UWVGGRQHSA-N 322.369 -0.773 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@@H](CNC(=O)[C@H]2CCNC(=O)C2)C1 1414186816 ZJUMXBFEBCUQMH-FIQHERPVSA-N 306.366 -0.317 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CCN(C(=O)[C@@H]2CCCN2C(N)=O)C1 1414935781 XJOHKBUVHNKBJI-VWYCJHECSA-N 307.354 -0.594 30 20 DBED CN(CCNC(=O)CCCn1cncn1)c1ccc(C#N)nn1 1418029249 GFIJWWUWVRLDAO-UHFFFAOYSA-N 314.353 -0.027 30 20 DBED CCN(CCC#N)C(=O)CN[C@@H](C)CNC(=O)[C@H]1CCC(=O)N1 1419718540 XEAXWFFGGYXIGD-NWDGAFQWSA-N 323.397 -0.879 30 20 DBED C=C(Cl)CNC[C@H](O)CNC(=O)[C@@H]1CCCCN1C(N)=O 1422393850 FEWXKJCFOIECHR-QWRGUYRKSA-N 318.805 -0.261 30 20 DBED COCC(=O)N[C@H](C)[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCO1 1424645967 AKVMMCXZTSJQOV-ZWNOBZJWSA-N 320.349 -0.122 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H]1CNC(=O)CCS(C)(=O)=O 1430936818 VZHFNBMZLLDVAA-WDEREUQCSA-N 315.395 -0.312 30 20 DBED C[C@H](C#N)C(=O)NCCN1CCN(C(=O)[C@H]2CCCOC2)CC1 1446916772 BUKNITGWPCYKBK-KGLIPLIRSA-N 322.409 -0.167 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H](CNC(=O)CCn2cnnn2)C1 1447618270 WDKRVFGFCZOKTK-NEPJUHHUSA-N 319.369 -0.422 30 20 DBED Cc1cc(=O)c(C(=O)N(C)C[C@H](O)CNC(=O)[C@@H](C)C#N)c[nH]1 1451928293 NVVOEIWRZQYQCE-GXSJLCMTSA-N 320.349 -0.608 30 20 DBED COc1ccc(O)c(S(=O)(=O)NCCn2cnc(C#N)n2)c1 1463669603 SMULUAYTQZVOBX-UHFFFAOYSA-N 323.334 -0.158 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2CCN2C[C@H](O)COC)nn1 1483685654 YQVMFSRSOSFGPY-NEPJUHHUSA-N 309.370 -0.725 30 20 DBED C[C@H](CNC(=O)c1ncn(C)n1)NC(=O)c1cc(C#N)c[nH]1 1502090795 GYBUFGDVKDLEDD-MRVPVSSYSA-N 301.310 -0.437 30 20 DBED CNC(=O)NCC(=O)NCC1(C)CCN(C(=O)[C@@H](C)C#N)CC1 1506663608 FTQHSSSRJLQRBG-NSHDSACASA-N 323.397 -0.180 30 20 DBED N#Cc1cc(C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)c[nH]1 1515113137 GDPPUWOIGGYERU-LLVKDONJSA-N 320.330 -0.534 30 20 DBED C=CCNC(=O)CN1CCC[C@@H](NC(=O)[C@]2(C)CCC(=O)N2)C1 1567766546 NMIOARLHVSHNAS-WBMJQRKESA-N 322.409 -0.462 30 20 DBED C[C@H](C#N)C(=O)N1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 1573570784 UBEMHYAMYGBMSJ-SECBINFHSA-N 313.325 -0.535 30 20 DBED N#C[C@H]1CNC[C@@H]1NC(=O)N1CCC(n2cnnc2O)CC1 1580044255 YTBBDECBOCCXJC-ONGXEEELSA-N 305.342 -0.558 30 20 DBED C#CCN(C(=O)[C@H]1C[C@@H]1C(=O)O)C1CCN(CC(=O)NC)CC1 1588459609 DNPAHRJLZBRDMK-STQMWFEESA-N 321.377 -0.621 30 20 DBED C=CCOC[C@@H](NC(=O)CN1C(=O)NC(C)(C)C1=O)C(=O)O 1588853992 NIHSKTAZDRDPSP-MRVPVSSYSA-N 313.310 -0.911 30 20 DBED Cn1cc([C@H](O)CNc2cnc(C#N)c(-c3nn[nH]n3)n2)cn1 1592567729 OQVDIBHVCFNDCQ-SECBINFHSA-N 312.297 -0.593 30 20 DBED N#Cc1cn(CCC(=O)N[C@H]2C[C@H](C(=O)O)C2)c(=O)nc1O 1594632746 ATYQHOUNAUFZHV-XWEPSHTISA-N 306.278 -0.810 30 20 DBED CN1C[C@@H](C(=O)O)N(S(=O)(=O)c2ccc(C#N)o2)CC1=O 1598565763 IESOTYDDXJENFF-QMMMGPOBSA-N 313.291 -0.933 30 20 DBED N#CCNC(=O)CNC(=O)Nc1sccc1-c1nn[nH]n1 1606349792 HKRFYEYYLWYVNO-UHFFFAOYSA-N 306.311 -0.311 30 20 DBED C#C[C@@H](NS(=O)(=O)N1CCC(C(=O)O)CC1)[C@H]1CCCO1 1609057904 JCJKYOKDJXJGQD-VXGBXAGGSA-N 316.379 -0.202 30 20 DBED C#C[C@H]1COCCN1C(=O)C(=O)Nc1cc(C)[nH]c1C(=O)O 1609058098 PATOYNGZVPHNNF-VIFPVBQESA-N 305.290 -0.180 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)NCc1nnc(C)n1C 1647177045 ASOGOXUKUZDDDZ-SECBINFHSA-N 300.388 -0.061 30 20 DBED N#CCN1CCC[C@H](NC(=O)CCn2cc[nH]c(=O)c2=O)C1 1660847949 RYKAAOSGWCQXID-NSHDSACASA-N 305.338 -0.969 30 20 DBED CN1CC[C@@H](CC(=O)N[C@@H]2CCCN(CC(=O)NCC#N)C2)C1 1665023295 ZFSYYCWAWWYIHS-UONOGXRCSA-N 321.425 -0.451 30 20 DBED Cc1cn2nc(C(=O)NCC[C@H](C)NCC#N)cc2c(=O)[nH]1 1717341402 LYJAXKVBWHSPLS-VIFPVBQESA-N 302.338 -0.047 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)[C@@]2(C)CCNC(=O)C2)C1 1731433435 ZDEHUNPYUOJHCK-LRDDRELGSA-N 322.409 -0.605 30 20 DBED C#CCNC(=O)CN[C@@H](CNC(=O)Cn1cncc1C)C1CC1 1752473097 IXXSHZJLRJWWDN-AWEZNQCLSA-N 317.393 -0.575 30 20 DBED C[C@@H]1OCC[C@@H]1C(=O)N1[C@H]2CC[C@H]1CN(CC(=O)NCC#N)C2 1752543255 LLIFOWWUSXSGDL-XUXIUFHCSA-N 320.393 -0.274 30 20 DBED C=CCNC(=O)CN[C@H](C)CNC(=O)c1cnn2ncccc12 1752878919 HBKFGCGSBZILOR-LLVKDONJSA-N 316.365 -0.261 30 20 DBED C#CCNC(=O)CN1CC(NC(=O)c2cc(N(C)C)ccn2)C1 1753393729 BNTURMKADMCAHI-UHFFFAOYSA-N 315.377 -0.689 30 20 DBED COC1(CC(=O)N(C)CCN(C)CC(=O)NCC#N)CCC1 1753851538 HWGAEZAVARQCTL-UHFFFAOYSA-N 310.398 -0.024 30 20 DBED C#CCNC(=O)CNC[C@@H](O)CNC(=O)c1c[nH]cc1C1CC1 1753932291 LQEVGZALXYBPOT-GFCCVEGCSA-N 318.377 -0.678 30 20 DBED C#CCNC(=O)CNCCN(CC)C(=O)CC1OCCCO1 1754041799 FEUWSVUNWVLWJY-UHFFFAOYSA-N 311.382 -0.673 30 20 DBED C[C@H](CNCC(=O)NCC#N)NC(=O)c1ccc2nc[nH]c2n1 1754230613 BHPYNTXKHCKDDT-SECBINFHSA-N 315.337 -0.694 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CN(CC(=O)NC(=O)NC)C1 1754582015 QEMYDQDNLTYZLN-NEPJUHHUSA-N 324.381 -0.824 30 20 DBED C=CCNC(=O)[C@@H](C)NC[C@@H]1CCCN1C(=O)c1cnon1 1754618277 AQKZLKIOWIXEGO-MNOVXSKESA-N 307.354 -0.046 30 20 DBED CC(C)(C)[C@H](NC(N)=O)C(=O)NC[C@H]1COCCN1CC#N 1754975009 SVAXUOYDXTYPDU-WDEREUQCSA-N 311.386 -0.590 30 20 DBED CC#CCN[C@@H](C)[C@H](C)NC(=O)Cn1nc2n(c1=O)CCCC2 1755263711 RTPNQIFKIAGEMP-STQMWFEESA-N 319.409 -0.113 30 20 DBED C[C@@H](CC(=O)N1CC[C@]2(CN(CC#N)CCO2)C1)NC(N)=O 1755400624 JIEJPGXKZGKYCA-FZMZJTMJSA-N 309.370 -0.740 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(CNC(=O)[C@@H](C)NC(C)=O)[C@H]2C1 1755435792 VIJCUUSQGBMJFO-LERXQTSPSA-N 322.409 -0.893 30 20 DBED C#CCCN[C@@H](C)[C@H]1CN(C(=O)CCNC(=O)NC)CCO1 1755441340 DXXDUEYJNUOOJU-QWHCGFSZSA-N 310.398 -0.466 30 20 DBED Cc1cnoc1C(=O)N[C@H]1C[C@H](CNCC(=O)NCC#N)C1 1755480262 QAHRHHFDTWGVMY-XYPYZODXSA-N 305.338 -0.279 30 20 DBED N#CCN[C@H](CO)CNC(=O)[C@H]1COc2cc(F)ccc2C1 1755629702 SLOXUYLMUZCTOE-YPMHNXCESA-N 307.325 -0.033 30 20 DBED CC1(C)CN(C(=O)CCNS(C)(=O)=O)C[C@H]1NCC#N 1755757844 RSNXTYRNPGIXRM-SNVBAGLBSA-N 302.400 -0.724 30 20 DBED C#CCN(C)C[C@H](O)CN(C)C(=O)c1c(OC)ncnc1OC 1755807538 IEJFKEAMTFSITO-NSHDSACASA-N 322.365 -0.508 30 20 DBED COCC#CCN1CC=C(CNC(=O)[C@@H]2CC[C@@H]2C(N)=O)CC1 1755890749 KPBUHRALJPXMHK-LSDHHAIUSA-N 319.405 -0.104 30 20 DBED CCC(=O)NCC(=O)N1CC([C@H](C)NC(=O)C#CC2CC2)C1 1756150252 REBOSIRFTFUOFK-NSHDSACASA-N 305.378 -0.111 30 20 DBED C=CC(C)(C)C(=O)N[C@H](C)C1CN(C(=O)[C@H]2CNC(=O)N2)C1 1756152035 HXQXOOFKJYZSEV-MWLCHTKSSA-N 308.382 -0.157 30 20 DBED C#CCCCCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H](C)NC(C)=O)C1 1756976481 IHYHQZOMQHGSCK-MRVWCRGKSA-N 323.393 -0.608 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(C(=O)C(F)F)C[C@H]1OC 1757129211 YLWNLXNNMJSBBA-OPRDCNLKSA-N 304.293 -0.368 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(C(=O)C[C@@H]2CCOC2)C[C@@H]1O 1757173631 DDDLBWNFXAVOCC-MJBXVCDLSA-N 324.377 -0.859 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCOCCN(C)C(=O)c1cnnn1C 1757486688 JDLNRMMLOYDPQV-NSHDSACASA-N 322.369 -0.478 30 20 DBED N#Cc1ncn(CCNC(=O)N[C@H]2CCc3c[nH]nc3C2)n1 1771700065 OFUYRZLRDUILTO-JTQLQIEISA-N 300.326 -0.270 30 20 DBED CC(=O)NCC(=O)NCC(=O)Nc1n[nH]c(C2CC2)c1C#N 1771837990 UHWMIDKVWRTCMD-UHFFFAOYSA-N 304.310 -0.650 30 20 DBED CN1CCC[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC#N 1795078515 DHKKAYGNOCLWMW-XFMPKHEZSA-N 320.393 -0.416 30 20 DBED C=CC[C@H](C)C(=O)N1CC2(CCCN2C(=O)CNC(=N)N)C1 1842884568 WHUNMTFVUHXUTB-NSHDSACASA-N 307.398 -0.115 30 20 DBED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)[C@@H](C)NC=O)C1 1845176912 XPFYTJZCLBBZRM-CHWSQXEVSA-N 321.377 -0.637 30 20 DBED O=C1C[C@@H](C(=O)N2CCCC23CN(C(=O)C#CC2CC2)C3)CN1 1845996024 IGPZWVNQCMTOGG-CYBMUJFWSA-N 315.373 -0.261 30 20 DBED C[C@H](CNc1c(C#N)c(=O)n(C)c(=O)n1C)N1CCOCC1 25567981 VEMXLGSRWXRGRL-SNVBAGLBSA-N 307.354 -0.912 30 20 DBED Cn1c(N2CCC(n3ccnc3)CC2)c(C#N)c(=O)n(C)c1=O 60296308 XGQBKRCHUSEDGA-UHFFFAOYSA-N 314.349 -0.006 30 20 DBED CC(C)[C@H](C#N)OC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 80384893 UOJRUASSYOGSKB-VIFPVBQESA-N 319.321 -0.475 30 20 DBED CN1CCO[C@H](C(=O)N2CCN(c3ncccc3C#N)CC2)C1 81236633 RGIWKWGLKVPLMZ-AWEZNQCLSA-N 315.377 -0.068 30 20 DBED C[C@@H](CN1CCN(C)CC1)NS(=O)(=O)c1ccc(C#N)nc1 106895340 JQCQSAUSOVVBQH-LBPRGKRZSA-N 323.422 -0.133 30 20 DBED Cc1nc(C#N)c(N2CCN(C(=O)CN(C)[C@H](C)CO)CC2)o1 131836563 SZFLXMHFUCCGQX-LLVKDONJSA-N 321.381 -0.184 30 20 DBED C=CCNC(=O)NC(=O)CN1CCC[C@H](N2CCNC2=O)C1 138997108 OATJQPBLZOSSQI-NSHDSACASA-N 309.370 -0.512 30 20 DBED CCNS(=O)(=O)[C@H]1CCN([C@H](C)C(=O)N(C)CCC#N)C1 245540683 PPIOCHKNUFNCLS-NEPJUHHUSA-N 316.427 -0.239 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCc2ncccc2C)C1=O 264216640 VBYQOZBXHOUVAE-UHFFFAOYSA-N 316.317 -0.017 30 20 DBED N#Cc1cc(N(C#N)CC(=O)N2CCNC(=O)C2)ccc1F 268550526 GSKTYGFVMAEHIC-UHFFFAOYSA-N 301.281 -0.057 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](CO)CC(C)C)C1=O 270347439 NKPRFIXIQCHPQE-JTQLQIEISA-N 311.338 -0.514 30 20 DBED C#CCCN1CCN(C(=O)[C@H](NC(=O)C2CC2)[C@@H](C)O)CC1 272449492 NHEMWOXENBEVCG-TZMCWYRMSA-N 307.394 -0.571 30 20 DBED C=CCNC(=O)CNC(=O)c1ccc(S(=O)(=O)NC)nc1 274523162 BMLRKVMCTWRPOT-UHFFFAOYSA-N 312.351 -0.978 30 20 DBED C=CCN1CC[C@H](N(C)CCc2cn(CC(=O)OC)nn2)C1=O 281437228 SXKPOPMXSAIKHJ-ZDUSSCGKSA-N 321.381 -0.288 30 20 DBED CC[C@@H]1CN(c2c(C#N)c(=O)n(C)c(=O)n2C)C[C@H](C)[S@@]1=O 286274700 HPYFQHRKSDTNCU-QKESZYPNSA-N 324.406 -0.309 30 20 DBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCC(=O)N(C)CC 288660404 AOCABGZBMFXRGN-AAEUAGOBSA-N 311.382 -0.322 30 20 DBED Cn1c(N[C@H](CO)CN2CCCCC2)c(C#N)c(=O)n(C)c1=O 289196143 UHNKGAKAOUVMBE-NSHDSACASA-N 321.381 -0.786 30 20 DBED CC#CCN(C)C(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 294587587 PAMHXMAXCAIOAA-RYUDHWBXSA-N 312.391 -0.496 30 20 DBED CN1CC[C@@H](/N=C(/O)N2CC(=O)N(CC(F)(F)F)C2)C1=O 330154041 XOPRVEDNZQXTMY-SSDOTTSWSA-N 308.260 -0.205 30 20 DBED CNS(=O)(=O)CC/N=C(/O)N1CC[C@H](C(=O)OC)[C@H](C)C1 331027843 WGIPETQFBZKDEC-ZJUUUORDSA-N 321.399 -0.419 30 20 DBED C[C@@H]1CN(C2CC2)C[C@@H]1NS(=O)(=O)N1CCO[C@@H](C#N)C1 336949489 RSLGRFQIUJJSMZ-WXHSDQCUSA-N 314.411 -0.472 30 20 DBED COCC1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)CC1 337101360 WACUVTWJIVUEBH-GFCCVEGCSA-N 303.384 -0.186 30 20 DBED C[C@H](CO[C@H]1CCOC1)NC(=O)NCCn1cnc(C#N)n1 345428365 GVCDVEQACKAJFX-MNOVXSKESA-N 308.342 -0.357 30 20 DBED COCC(=O)N1CCN([C@@H](C)C(=O)NC2(C#N)CCC2)CC1 345770775 MAZUMDRZTUAFHF-LBPRGKRZSA-N 308.382 -0.272 30 20 DBED COC(=O)CN(CC#N)C(=O)CNC(=O)c1cccc(OC)c1 360358637 GWSVUPDTZUBOPN-UHFFFAOYSA-N 319.317 -0.050 30 20 DBED C=CCOC[C@@H](NS(=O)(=O)N1CC[C@H](C)C1)C(=O)OC 360605293 QOZXOVMMWVLPQX-WDEREUQCSA-N 306.384 -0.093 30 20 DBED N#CCNC(=O)CNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 367813843 IKEHLRAYSLIWMQ-ZDUSSCGKSA-N 314.345 -0.209 30 20 DBED N#Cc1ccc(S(=O)(=O)NC[C@H]2CN3CCN2CC3)s1 369176603 CGKCUPIXLPBJFW-JTQLQIEISA-N 312.420 -0.102 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N1CCN2C(=O)NC[C@H]2C1 370298137 NUUFPJQZKYYWNH-ZJUUUORDSA-N 301.372 -0.968 30 20 DBED N#CCNC(=O)CNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 376184815 OZIVQNAXLVJFGE-JTQLQIEISA-N 304.306 -0.616 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)NC[C@@H]1CN(C)CCN1C 407974987 HKEKRAASKKMNCY-VXGBXAGGSA-N 303.432 -0.699 30 20 DBED CCOC(=O)[C@H]1CN(S(=O)(=O)[C@H](C)C#N)CC12COC2 416489488 QHVKHDSGIBDJBY-NXEZZACHSA-N 302.352 -0.260 30 20 DBED CN1CC[C@](O)(CNS(=O)(=O)c2ccc(C#N)s2)C1 435438482 ONELEAUDXCCYDZ-NSHDSACASA-N 301.393 -0.035 30 20 DBED CNC(=O)c1ccc(S(=O)(=O)N2CC(O)(CC#N)C2)cc1 440094707 JEMDTNNZYCCDOL-UHFFFAOYSA-N 309.347 -0.305 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)Cc2[nH]cnc2C)CC1 491041052 XFNJUBHCQZQECO-UHFFFAOYSA-N 317.393 -0.456 30 20 DBED COCCN(CC(=O)NCC#CCO)C(=O)OC(C)(C)C 496388720 YPMGUHYDMJOWCO-UHFFFAOYSA-N 300.355 -0.018 30 20 DBED N#Cc1ccc(CN2CCN(CCS(N)(=O)=O)CC2)nc1 574137851 IWGQDHHZLLGMLW-UHFFFAOYSA-N 309.395 -0.641 30 20 DBED C=CCNC(=O)CNC(=O)C(=O)Nc1nc2c(s1)CCC2 576502132 FYQLSFCQYPBCMH-UHFFFAOYSA-N 308.363 -0.011 30 20 DBED N#CCNC(=O)CNC(=O)NC[C@@H](O)COc1ccccc1 582379355 FGLMJJNSALJCBV-LLVKDONJSA-N 306.322 -0.635 30 20 DBED N#CCNS(=O)(=O)CCCS(=O)(=O)N[C@]12CCC[C@@H]1C2 595962486 BMPNYNZQJBXEKT-MNOVXSKESA-N 321.424 -0.319 30 20 DBED C[C@@H]1[C@@H](N(C)C)CCN1S(=O)(=O)N1CCO[C@H](C#N)C1 601422159 PDMZJQMAONUDJA-UTUOFQBUSA-N 302.400 -0.520 30 20 DBED CS(=O)(=O)N1CCN(CCN[C@@H]2CC[C@@H](C#N)C2)CC1 619672731 XRYBYXODMJSFKK-CHWSQXEVSA-N 300.428 -0.155 30 20 DBED CCN1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)C[C@@H]1C 619712649 STDHTZBAJQPNDF-NWDGAFQWSA-N 302.400 -0.518 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@@H]1COCCC1=O 625490975 AEVTVDBAZFDFJE-SNVBAGLBSA-N 305.356 -0.959 30 20 DBED CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)NCC#CCO 632515933 MPILJPHBLUGUCV-CYBMUJFWSA-N 302.396 -0.307 30 20 DBED C=CCN(C(=O)[C@H]1COCCN1CC)[C@@H]1CCS(=O)(=O)C1 636826603 MAAAZWUZFRYUMC-CHWSQXEVSA-N 316.423 -0.091 30 20 DBED N#Cc1ccc(N2CCC(NC(=O)C3=NNC(=O)C3)CC2)nc1 732284275 NSZIWDUXTXYXBT-UHFFFAOYSA-N 312.333 -0.086 30 20 DBED C#CCNC(=S)NC[C@@H](O)CS(=O)(=O)c1cccs1 758251395 KEBQALAPZHCYBN-SECBINFHSA-N 318.445 -0.020 30 20 DBED Cn1cnn(CC(=O)OCC(=O)Nc2cccc(C#N)c2)c1=O 779127503 LLXQSXNWKJMFAB-UHFFFAOYSA-N 315.289 -0.365 30 20 DBED C#CCC[C@H](O)CNC(=O)c1cnc2c(c1)c(O)nc(=O)n2C 799070290 LIJJBFLHRYUSGS-JTQLQIEISA-N 316.317 -0.462 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCn2cnnc2[C@H]1C)[C@H]1CCCO1 809304150 FWCRJVLWEOYGKE-GRYCIOLGSA-N 317.349 -0.522 30 20 DBED C=C[C@@H](O)C(=O)O[C@H](C(=O)N1CCN(C(C)=O)CC1)C(C)C 814547755 GRVRAATVRDFZKS-OLZOCXBDSA-N 312.366 -0.208 30 20 DBED C#CCC[C@H](O)CNC(=O)c1nnn(-c2ccn(C)n2)c1C 816567401 ZRDUAGKLDCGEBR-NSHDSACASA-N 302.338 -0.187 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCCN(CC(N)=O)CC1 826075344 TUZFEEMQIQFLQM-CYBMUJFWSA-N 310.398 -0.523 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1cc(C(=O)O)no1 833376683 OMFSSDDVLCPBTG-LURJTMIESA-N 311.250 -0.070 30 20 DBED C#CCOCCNC(=O)CC1CCN(S(C)(=O)=O)CC1 846955436 CVQCXKSTNLTWLI-UHFFFAOYSA-N 302.396 -0.186 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H]3NCC[C@H]32)C1=O 877282258 QBYKEKUGLWCVOT-WDEREUQCSA-N 320.349 -0.684 30 20 DBED C#CCNS(=O)(=O)N1CCN(C[C@@](C)(O)C(F)F)CC1 886092149 PIZOPNDHQXACLF-LLVKDONJSA-N 311.354 -0.912 30 20 DBED C#C[C@H](NC(=O)C(=O)N1C[C@H]2CC[C@H]1[C@H](O)C2)[C@@H]1CCCO1 898002959 BCKFQBFYSRDNLP-YHQUGGNUSA-N 306.362 -0.345 30 20 DBED C#CCN1CCC[C@@H](NC(=O)C2=C(C)N(C)c3nnnn3C2)C1 923561547 FSXSZWRUFGMTAT-GFCCVEGCSA-N 315.381 -0.389 30 20 DBED CC[C@@H](CN1CCOCC1)NC(=O)[C@@H](C)n1cnc(C#N)n1 928651562 QRTYYUAUROLBRM-NEPJUHHUSA-N 306.370 -0.062 30 20 DBED O=C(NC1CCN(C(=O)C#CC2CC2)CC1)C1CS(=O)(=O)C1 946696148 CYHYACKOYAGBGJ-UHFFFAOYSA-N 324.402 -0.448 30 20 DBED N#CCN1CCc2ccccc2[C@H]1CNC(=O)[C@H]1CNC(=O)N1 948952918 AHUIJPPPFNGTAG-ZIAGYGMSSA-N 313.361 -0.093 30 20 DBED CN1CCO[C@@H](C(=O)N2CCOC3(CCN(CC#N)CC3)C2)C1 949061393 YUDFPCVFNREDHZ-CQSZACIVSA-N 322.409 -0.466 30 20 DBED C#Cc1cncc(C(=O)N[C@H]2CCCN(C(=O)CC(N)=O)C2)c1 950264628 JJDYPLMZIUCOBW-ZDUSSCGKSA-N 314.345 -0.341 30 20 DBED O=C1CC[C@@H](C(=O)NC[C@@H]2CCN2C(=O)C#CC2CC2)CN1 950964020 IVQYFEGUMNULEW-OLZOCXBDSA-N 303.362 -0.357 30 20 DBED O=C(NC[C@H]1CCN1C(=O)C#CC1CC1)c1ccn2nnnc2c1 951455928 YOAGKCGHMJIANN-CYBMUJFWSA-N 324.344 -0.132 30 20 DBED O=C(NC[C@@H]1CCCN1C(=O)C#CC1CC1)c1c[nH]c(=O)cn1 956004623 IYMMIMZUWLWEOD-LBPRGKRZSA-N 314.345 -0.096 30 20 DBED CCn1cc(CC(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2C)nn1 958372203 CWDQUVNPANIWSX-DMDPSCGWSA-N 318.381 -0.037 30 20 DBED C=CCn1cc(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)C3CC3)C2)nn1 958393256 ADWKRISUPSEOOX-STQMWFEESA-N 319.365 -0.482 30 20 DBED C=CCCn1cc(C(=O)NC[C@H]2CN(CC#N)C[C@H]2O)nn1 958477025 SWFRLBUPQZOWEW-WCQYABFASA-N 304.354 -0.600 30 20 DBED C=C(C)CN1C[C@H](CNC(=O)c2cn(C)c(=O)n2C)[C@@H](O)C1 958736291 MGLHTIDAFXMFSD-AAEUAGOBSA-N 308.382 -0.678 30 20 DBED C#CCCN1C[C@@H]2C(NC(=O)CN3C(=O)CC(C)(C)C3=O)[C@H]2C1 959888913 BKRUALJVRKKQES-RYUDHWBXSA-N 317.389 -0.159 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H]2CN(C(=O)c3cn(C)nn3)C[C@@H]21 960882609 NQUJOHXZDQUHTR-ADEWGFFLSA-N 318.337 -0.973 30 20 DBED O=C(N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O)c1ccns1 965441056 DDIZZDYOGLEQNV-MNOVXSKESA-N 305.359 -0.142 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H](N(C)C(=O)Cn2ncnn2)CC1 967562326 WYLSVDZGXACGBJ-VXGBXAGGSA-N 319.369 -0.328 30 20 DBED C#CCCN1CC[C@H](C)[C@@H](NC(=O)C2CC(=O)NC(=O)C2)C1 968418974 PRJSBMARIBMAOW-AAEUAGOBSA-N 305.378 -0.111 30 20 DBED CN1C[C@@H](C(=O)N[C@H]2[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]32)CC1=O 976657707 BSGJOYGBGBXVLM-BCUIYNNISA-N 315.373 -0.549 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@H](NC(=O)c2nnn(C)n2)[C@@H](O)C1 991668524 CJJYDNLLWDJUKG-UWVGGRQHSA-N 322.369 -0.886 30 20 DBED C=CCN1CC[C@H](N2CC[C@@]3(NC(=O)C(N)=O)CCC[C@H]23)C1=O 992139667 CHHYAORPGHJFII-MKBNYLNASA-N 320.393 -0.628 30 20 DBED CCOc1cnc(C(=O)NC2CN(C(=O)[C@H](C)C#N)C2)cn1 994957942 BMEVGJDKHHDGOG-SECBINFHSA-N 303.322 -0.024 30 20 DBED C=C(C)CN[C@@H]1CCCN(C(=O)CN2CCN(C)C(=O)C2)C1 999535729 LORWFHJHXBEZSF-CQSZACIVSA-N 308.426 -0.083 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)Cn2nccn2)C1 1000032957 KTKZXIPKARWBOF-NEPJUHHUSA-N 305.338 -0.804 30 20 DBED CC(C)N1CCO[C@@H](C(=O)NCC2CN(C(=O)[C@H](C)C#N)C2)C1 1003793656 OSQRHZHZLMQYCX-TZMCWYRMSA-N 322.409 -0.170 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCC1CN(C(=O)[C@H]2COC(=O)N2)C1 1004522073 UUJZOOIMBIRGGO-UTUOFQBUSA-N 323.349 -0.740 30 20 DBED C[C@H](C#N)C(=O)N1CC([C@@H](C)NC(=O)c2cc(C(N)=O)c[nH]2)C1 1006724073 VJZHHQXMEOOXIG-RKDXNWHRSA-N 317.349 -0.150 30 20 DBED C[C@@H](c1nnnn1C)N1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 1010642682 JIGDCUQROJOZOJ-ONGXEEELSA-N 314.353 -0.025 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CCN(CC(=O)N3CCC3)C2)c[nH]1 1010670493 QHLSUASKNXCBEL-GFCCVEGCSA-N 301.350 -0.077 30 20 DBED C=CCn1cccc1C(=O)N[C@@H]1CCN(C(=O)C(N)=O)[C@H]1C 1012020679 DWSQHJGAIDMLIG-WDEREUQCSA-N 304.350 -0.121 30 20 DBED C=CCN1CC[C@H](N2CC[C@@H](NC(=O)c3cnn(C)n3)C2)C1=O 1015842686 POHGZQSCMKFCGN-YPMHNXCESA-N 318.381 -0.594 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H](CN(C)Cc2nc(=O)n(C)[nH]2)C1 1017075484 AYXUWXGDASWHOU-NEPJUHHUSA-N 320.397 -0.062 30 20 DBED C[C@@H](C#N)C(=O)N1CC=C(CNC(=O)[C@H]2CCC(=O)N2)CC1 1017341265 NPQXNUQMOZZBHS-CMPLNLGQSA-N 304.350 -0.300 30 20 DBED C=C(Cl)CN[C@H]1CCN(C(=O)CC[C@@H]2NC(=O)NC2=O)C1 1019752607 ROMWECYPHYIIQQ-UWVGGRQHSA-N 314.773 -0.082 30 20 DBED N#CCN[C@H]1C[C@H](NC(=O)c2cccc(OCC(N)=O)c2)C1 1020211557 DRKIPYTZPPYTKD-HAQNSBGRSA-N 302.334 -0.075 30 20 DBED C=C(C)CN[C@H]1C[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C1 1020213089 SZXCHTUUPNPGNH-HAQNSBGRSA-N 306.366 -0.640 30 20 DBED C[C@H]1[C@@H](NC(=O)[C@@H]2CN(C)CCO2)CCN1C(=O)C#CC1CC1 1020248918 XINUUQPFJFYITJ-QEJZJMRPSA-N 319.405 -0.164 30 20 DBED COCCn1cc(C(=O)N[C@H]2C[C@H](NCC#N)C2)ccc1=O 1020346779 YWUNTUFSQVRHCD-JOCQHMNTSA-N 304.350 -0.131 30 20 DBED CN1CC[C@@H](N[C@H]2C[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)C1=O 1021990704 QJFVTOPCOGEZLM-NTZNESFSSA-N 301.350 -0.033 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnccn2)C1 1022953634 MGWKSCLNFRTBIV-VXGBXAGGSA-N 304.350 -0.010 30 20 DBED C=CCN1CC[C@H](N[C@H]2C[C@@H](NC(=O)Cn3ccnc3)C2)C1=O 1023161204 RWZOOHIFFPOCIO-MJBXVCDLSA-N 317.393 -0.093 30 20 DBED CC(F)(F)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 1023326934 DOCXWEHBQLHETA-NXEZZACHSA-N 312.276 -0.157 30 20 DBED C=CCN[C@@H]1CC[C@@H]2CN(C(=O)Cn3nc(C)n(C)c3=O)C[C@H]21 1026409776 NYDXPQQIQHJYBG-MGPQQGTHSA-N 319.409 -0.097 30 20 DBED COCCN1C[C@H](C(=O)NC[C@H]2CCCN2CC#N)CC1=O 1027916344 JSOQILPKOHSTQO-CHWSQXEVSA-N 308.382 -0.415 30 20 DBED C#CCN1CCC[C@H]1CNC(=O)c1cn(CC(=O)N(C)C)nn1 1028335188 PHKZHGFAKIBUBC-LBPRGKRZSA-N 318.381 -0.806 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCC1CN(CC(=O)NC2CC2)C1 1031987272 FUNCSOOQEKFUQZ-KGLIPLIRSA-N 307.394 -0.096 30 20 DBED C=C(Cl)CN1C[C@@H]2C[C@H]1CN2C(=O)CN1CCOCC1=O 1032448725 VYIJDMKRAGTLCX-RYUDHWBXSA-N 313.785 -0.117 30 20 DBED CC#CCN1C[C@@H]2C[C@H]1CN2C(=O)Cn1ccc(O)nc1=O 1032503247 HLXYUTCKKCMQDM-RYUDHWBXSA-N 302.334 -0.743 30 20 DBED C=CCCN1CCO[C@H](CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 1035507554 KYMWSVFJUUZNJF-FRRDWIJNSA-N 311.382 -0.588 30 20 DBED C#CCN1CCO[C@H](CNC(=O)[C@H]2CCc3nnnn3CC2)C1 1035512041 FRKWJXXEBGNAGA-QWHCGFSZSA-N 318.381 -0.924 30 20 DBED COc1c(O)nc(O)nc1C(=O)N[C@H]1[C@H]2C[C@H]1N(CC#N)C2 1037675727 XTIUGVZXVKVGKY-RNJXMRFFSA-N 305.294 -0.778 30 20 DBED C#CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1c(OC)ncnc1OC 1037747949 HQBWSCPPMFPXAQ-JFGNBEQYSA-N 302.334 -0.071 30 20 DBED C#CCCN1CC[C@H]1CNC(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1 1038697017 KPMOVTKFZJHXGH-MJBXVCDLSA-N 307.394 -0.164 30 20 DBED C=C(C)C[C@@H](C)C(=O)NC[C@]1(O)CCN(C(=O)CC(N)=O)C1 1040626387 REFXRHIBMSVKKH-IAQYHMDHSA-N 311.382 -0.456 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCO3)C2)nc1 1040897702 CHXZQSOVPSRMRT-JHJVBQTASA-N 302.334 -0.202 30 20 DBED CN1CCC[C@H]1C(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1O 1040944255 JVKMZLLQIKFUBT-QLFBSQMISA-N 315.377 -0.287 30 20 DBED C#CCN1CC[C@H]2CCN(C(=O)Cn3c(O)nnc3O)C[C@@H]21 1042325142 DMICWECDKUWYIA-QWRGUYRKSA-N 305.338 -0.755 30 20 DBED N#Cc1ccc(C(=O)NCC2(O)CN(C(=O)[C@@H]3CC3(F)F)C2)[nH]1 1042609065 QEKJMHSTAOKVGP-VIFPVBQESA-N 324.287 -0.155 30 20 DBED CO[C@H](C)CCC(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1042691904 MSOJEJMIHVWVII-GFCCVEGCSA-N 308.378 -0.096 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(O)CN(C(=O)C2(CF)CC2)C1 1042811514 JTKJQQHHKDMVHM-CYBMUJFWSA-N 314.357 -0.247 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)[C@@H](C)C2CC2)C1 1043039499 GXAQGTBZJLVYAX-NWDGAFQWSA-N 308.378 -0.240 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)C[C@@H]2CCCOC2)C1 1043144851 TZDSAXUCEFNVFR-RYUDHWBXSA-N 309.366 -0.348 30 20 DBED N#CCN1CC[C@H](N2CCN(C(=O)C[C@H]3COC(=O)C3)CC2)C1 1046020313 QHQNVHOBHPZNNN-KGLIPLIRSA-N 320.393 -0.318 30 20 DBED C=CCC(C)(C)C(=O)N1CC(O)(CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 1046725332 KHFHFEXOCNTONI-MNOVXSKESA-N 323.393 -0.600 30 20 DBED C#CCCCC(=O)N(C)[C@H]1CN(C(=O)c2cc[nH]n2)C[C@@H]1O 1048749993 GZBBHLJWQAJUHF-STQMWFEESA-N 304.350 -0.143 30 20 DBED CN(C)C(=O)CN1C[C@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2C1 1048779554 XATZFRHCCDCDGQ-BETUJISGSA-N 315.377 -0.022 30 20 DBED C=CCOCC(=O)N1CC[C@@H]([C@@H](C)NC(=O)Cn2cnnn2)C1 1050296348 DEENHMCENWHGNW-VXGBXAGGSA-N 322.369 -0.771 30 20 DBED C=C(Cl)CN1CCOC[C@H]1CNC(=O)[C@@H]1COCCN1C 1050878937 DOKXIWIVHWKJHD-OLZOCXBDSA-N 317.817 -0.114 30 20 DBED CC(C)N1CCO[C@H](C(=O)NC[C@H]2COCCN2CC#N)C1 1051081152 HRFHPWIVLIYHOD-KBPBESRZSA-N 310.398 -0.564 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)[C@H]1CC(=O)N(CCC)C1 1051137163 LCXUJITUBOETSU-UONOGXRCSA-N 307.394 -0.305 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)[C@@H]1CCCS(=O)(=O)C1 1051145038 FNFNUJNRXNPXCI-OLZOCXBDSA-N 314.407 -0.739 30 20 DBED N#Cc1ccc(N2CC[C@H](NC(=O)c3cnon3)[C@@H](O)C2)cn1 1051716901 BZULPFVMHCGHRV-AAEUAGOBSA-N 314.305 -0.294 30 20 DBED N#CCN1CCN([C@H]2CCN(C(=O)Cc3cc[nH]n3)C2)CC1 1052002713 KHGSQNYZXYQSPK-AWEZNQCLSA-N 302.382 -0.306 30 20 DBED C#CCCCC(=O)N1C[C@@H](C)[C@@H](CNC(=O)CNC(N)=O)C1 1052472548 QENOCRRRGOEBMN-NEPJUHHUSA-N 308.382 -0.331 30 20 DBED C[C@H](C#N)C(=O)N1CCOC2(CN(Cc3cncn3C)C2)C1 1053193748 SBWDPNAAOUPXHJ-GFCCVEGCSA-N 303.366 -0.007 30 20 DBED C#Cc1cncc(C(=O)N2C[C@@H](C)[C@@H](CNC(=O)C(N)=O)C2)c1 1053393579 CSCPZCIESHQDJA-MFKMUULPSA-N 314.345 -0.628 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)CO2)C1 1053880259 MOPSSFBTXVQJFA-LJISPDSOSA-N 320.389 -0.369 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)c3ccoc3CC(N)=O)CO2)C1 1053908046 JJXZMHOHJNHOKW-NSHDSACASA-N 317.345 -0.486 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)[C@]3(C)CCNC3=O)CO2)C1 1053925195 GXCWQVIVEZQYPF-SWLSCSKDSA-N 305.378 -0.505 30 20 DBED N#Cc1nccnc1N1CCN(C(=O)CN2CCCC2=O)CC1 1055724845 JOSKRKDSMJJKBM-UHFFFAOYSA-N 314.349 -0.381 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@]1(CO)CCCN(C(=O)C(F)F)C1 1055947179 KYEWZEKOBXQTRN-IINYFYTJSA-N 318.320 -0.241 30 20 DBED Cn1cc(CC(=O)NC2[C@@H]3CN(c4cncc(C#N)n4)C[C@@H]23)cn1 1056147822 RFCWHQNNWBWFBF-CHWSQXEVSA-N 323.360 -0.125 30 20 DBED CN(c1nccnc1C#N)[C@H]1CCN(C(=O)Cn2cncn2)C1 1056919585 ALYUNZNVMIQLCO-NSHDSACASA-N 312.337 -0.323 30 20 DBED C#CCNC(=O)CC(=O)N(CCO)CCNC(=O)/C=C\C1CC1 1057390639 JKHWUKJQULXCOK-WAYWQWQTSA-N 321.377 -0.971 30 20 DBED C#CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)c1nocc1C 1057584475 LQNPVOPBYLJNBW-LBPRGKRZSA-N 323.349 -0.428 30 20 DBED N#Cc1nccnc1N1CC[C@@H](NC(=O)c2nccnc2N)C1 1058315837 NXOIQTJZEZSBQZ-SECBINFHSA-N 310.321 -0.271 30 20 DBED N#Cc1cnc(N2C[C@@H]3CC[C@H](C2)N3C(=O)C(N)=O)c(F)c1 1058795833 IXEQPBRHYSYCSM-AOOOYVTPSA-N 303.297 -0.243 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)CCCn1cncn1 1058820387 UQADVIAQAGKEJG-UHFFFAOYSA-N 323.397 -0.038 30 20 DBED Cc1cc(=N[C@H]2C[C@@H](NC(=O)[C@@H]3CCNC3=O)C2)c(C#N)c[nH]1 1059781601 FRKXWQWODIZEAX-FRRDWIJNSA-N 313.361 -0.121 30 20 DBED N#Cc1nc(=NC[C@H]2CCN(C(=O)Cn3nccn3)C2)cc[nH]1 1060925537 PVGWQLKTOJSRRH-LLVKDONJSA-N 312.337 -0.678 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)c1n[nH]cc1F 1061852915 OEUQNYCNLPZIEX-RKDXNWHRSA-N 309.301 -0.334 30 20 DBED N#CCSCC(=O)NC1(CNC(=O)Cn2ncnn2)CCC1 1063146676 LOYIAARQNBLEIN-UHFFFAOYSA-N 323.382 -0.915 30 20 DBED CCNC(=O)CC(=O)NC[C@H]1CN(C(=O)[C@H](C)C#N)CCO1 1065557738 UUKUEQAJBGQUMP-MNOVXSKESA-N 310.354 -0.984 30 20 DBED C[C@@H](Nc1cnc(C#N)cn1)[C@@H]1CN(C(=O)CC(N)=O)CCO1 1068227639 NXDAJRRAKZDPMF-KOLCDFICSA-N 318.337 -0.749 30 20 DBED C[C@H](C#N)C(=O)N1CCOC2(CN(C(=O)CSCC#N)C2)C1 1068452062 YBCJNTIRZQXQMG-LLVKDONJSA-N 322.390 -0.157 30 20 DBED C[C@@H]1[C@@H](Nc2nccnc2C#N)CCN1C(=O)Cn1cnnn1 1068776335 FITDNNAAIDBAGL-ZJUUUORDSA-N 313.325 -0.564 30 20 DBED C[C@@H]1CCCN1CC(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1 1070027258 VMBLYUYHLADKKQ-MCIONIFRSA-N 317.397 -0.373 30 20 DBED C=CCCC(=O)NCC1(NC(=O)CC(=O)NC)CCOCC1 1070086266 OCAUESHIWIQROP-UHFFFAOYSA-N 311.382 -0.130 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2c(C)ncn2C)C[C@@H]1n1ccnn1 1070213793 XHVVCQGXKNPEGC-OLZOCXBDSA-N 313.365 -0.391 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)c2cnn(C)c2)CCOCC1 1070231098 MSWPXNHRHWJOEI-NSHDSACASA-N 319.365 -0.025 30 20 DBED C=C1CC(C)(C(=O)N2C[C@H](n3ccnn3)[C@H](NCCO)C2)C1 1070271564 SZQIGBLCTUJULD-OLZOCXBDSA-N 305.382 -0.032 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CCCN(C(=O)[C@H]2CCC(=O)N2)C1 1070548372 KVIAOTLEWCYLOC-CHWSQXEVSA-N 303.362 -0.214 30 20 DBED C=CCOCC(=O)N1CCC[C@@H](NC(=O)CN2CCCC2=O)C1 1070553385 MQSKYGDPDMMIOA-CYBMUJFWSA-N 323.393 -0.081 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)C[C@H]4CCNC4=O)C[C@@]3(C1)O2 1070808609 XIVVNASDKGCUNI-VMUDFCTBSA-N 317.389 -0.553 30 20 DBED N#CCN1CCNC(=O)CCN(C(=O)Cc2ncc[nH]2)CC1 1071010831 ZWCKOPOQACNXCK-UHFFFAOYSA-N 304.354 -0.874 30 20 DBED C=CCCC(=O)N1C[C@H](C)[C@@H](NC(=O)CS(C)(=O)=O)C1 1071769973 BMUIILNWZJRFPJ-QWRGUYRKSA-N 302.396 -0.040 30 20 DBED C#CCOCCC(=O)N[C@H]1CN(C(=O)Cn2cncn2)C[C@H]1C 1072772910 MASRCQLBFMDRGE-OLZOCXBDSA-N 319.365 -0.719 30 20 DBED C=CCOCC(=O)NC1(C)CCN(C(=O)c2nnn(C)n2)CC1 1073197694 USNULLSEEFNZQO-UHFFFAOYSA-N 322.369 -0.476 30 20 DBED C=CCC(C)(C)C(=O)N1CCN(C2CN(C(=O)C(N)=O)C2)CC1 1073572502 CXBZBJZWRLCKGO-UHFFFAOYSA-N 322.409 -0.571 30 20 DBED N#CCN1CCCO[C@@H](CNC(=O)c2cccn3nnnc23)C1 1073616140 RVLUWNXHUPONPP-NSHDSACASA-N 315.337 -0.531 30 20 DBED CC#CCN1CCO[C@@H]2CCN(C(=O)c3cnn(C)c3N)C[C@H]21 1074223346 XNQRAIZGCMTWFF-ZIAGYGMSSA-N 317.393 -0.059 30 20 DBED Cn1cc(OCC(=O)N2CC[C@H]3OCCN(CC#N)[C@H]3C2)cn1 1074321078 DHSBUZMNRFHQSQ-UONOGXRCSA-N 319.365 -0.376 30 20 DBED Cc1ncc(C(=O)NCC2(O)CCN(C(=O)[C@@H](C)C#N)CC2)[nH]1 1074705713 XPHZVVQXBJQXNX-JTQLQIEISA-N 319.365 -0.039 30 20 DBED C[C@@H](CCNC(=O)c1cc(C#N)c[nH]1)NC(=O)[C@H]1COCCO1 1076073563 WZFXTKBPVNIDPS-GXFFZTMASA-N 320.349 -0.074 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCc3nccn32)C1 1077130980 KAZCAYCIBCJJIR-HZSPNIEDSA-N 302.378 -0.055 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2cnn(-c3ccccn3)c2)C1 1077770924 QVPHTQBDQDGFIS-ZIAGYGMSSA-N 311.345 -0.325 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)[C@]2(C)CCCS2(=O)=O)C1 1077824146 OLCIGXBUSBXDFP-BZPMIXESSA-N 316.423 -0.309 30 20 DBED CCN(C(=O)C#CC1CC1)C1CN(C(=O)c2cnnn2C)C1 1079736724 HZNFGLGSUJBDOL-UHFFFAOYSA-N 301.350 -0.099 30 20 DBED Cc1ncc(C(=O)N2C[C@H](CNC(=O)C#CC(C)C)[C@@H](O)C2)[nH]1 1081464111 VSIYLKTZSHWHPQ-JSGCOSHPSA-N 318.377 -0.073 30 20 DBED CC#CCN1C[C@@H](NC(=O)c2c(C)ncnc2O)[C@H](OC)C1 1082048341 QMTZAMABBFMEMX-VXGBXAGGSA-N 304.350 -0.057 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)CN2CCOCC2)C1 1083414161 PDTDLOHHESVERS-NEPJUHHUSA-N 303.790 -0.768 30 20 DBED NC(=O)C(=O)N[C@@H]1CN(CC#Cc2cccc(Cl)c2)C[C@@H]1O 1083743694 CTDFHQLFLYKWBO-OLZOCXBDSA-N 321.764 -0.662 30 20 DBED CN(C)C(=O)c1ccc(C(=O)N[C@@H]2CN(CC#N)C[C@@H]2O)cc1 1083963974 QFIXTVAQOQPLSM-KGLIPLIRSA-N 316.361 -0.313 30 20 DBED Cn1nnc(C(=O)N2C[C@@H]3[C@@H]4CC[C@@H](CN4CC#N)[C@H]3C2)n1 1087380233 QIHIMKJZYWMWPW-USZNOCQGSA-N 301.354 -0.484 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2cnn3ccncc23)[C@@H](O)C1 1090327944 WBQOPLQVFGFBIO-HIFRSBDPSA-N 313.361 -0.082 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1O 1090408468 RFXDZIRVAVLZDT-IIAWOOMASA-N 316.361 -0.054 30 20 DBED CCc1cc(CC(=O)N[C@H]2CCN(CC#N)C[C@@H]2O)n(C)n1 1090445946 ONEYRBCCIMUNAX-KBPBESRZSA-N 305.382 -0.400 30 20 DBED CN(C)c1ccc(C(=O)N[C@H]2CCN(CC#N)C[C@@H]2O)nn1 1090733606 HJSDNCWAVQMHJB-JQWIXIFHSA-N 304.354 -0.769 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2cccc(C(N)=O)n2)[C@H](O)C1 1090839357 KZCCJRPNCYZXQU-SMDDNHRTSA-N 316.361 -0.631 30 20 DBED CC(C)(C)OCC(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1091093914 BXCQRDLQEYLKRA-NEPJUHHUSA-N 319.365 -0.171 30 20 DBED C[C@H](NC(N)=O)C(=O)N[C@H]1CCN(c2nccnc2C#N)[C@@H]1C 1091962905 HXMRDTACFJJQFW-AEJSXWLSSA-N 317.353 -0.512 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)[C@H]3COCCO3)c3nccn32)C1 1092343027 CCEGRGUXYKVPTJ-QWHCGFSZSA-N 316.361 -0.496 30 20 DBED CCc1nc(C#N)cc(NCCNC(=O)C[C@@H](C)NC(N)=O)n1 1093885273 ZNYZDTFPGHDZQP-SECBINFHSA-N 319.369 -0.114 30 20 DBED Cc1nccc(C(=O)NCc2cn(C3CN(CC#N)C3)nn2)n1 1094339446 XONVNLIBBMBCGO-UHFFFAOYSA-N 312.337 -0.313 30 20 DBED CN1C[C@H](C(=O)NCCCN=c2cc[nH]cc2C#N)NC1=O 1094708738 CNJNUFVXKNPOET-GFCCVEGCSA-N 302.338 -0.683 30 20 DBED Cc1cc(C(=O)N[C@@H]2CC(=O)N(C3CN(CC#N)C3)C2)cnn1 1094729476 DOLISWLUWAVURQ-GFCCVEGCSA-N 314.349 -0.677 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)[C@]3(F)CCOC3)CC2=O)C1 1094777731 CFCITJQLZYBXQS-ABAIWWIYSA-N 309.341 -0.851 30 20 DBED CC(=O)N[C@@H](C)C(=O)N1CC[C@@H](N(C)c2cncc(C#N)n2)C1 1095090436 PEYUXKIYCIERIN-GXFFZTMASA-N 316.365 -0.090 30 20 DBED C[C@@H](C#N)C(=O)NC1CCN(c2nccn3nnnc23)CC1 1095399103 OIWPOFWORXQZIN-VIFPVBQESA-N 300.326 -0.236 30 20 DBED CS(=O)(=O)CC(=O)NC1CCN(c2nccnc2C#N)CC1 1095405370 LLDMDCRDUNFCOT-UHFFFAOYSA-N 323.378 -0.522 30 20 DBED CN(CCCNC(=O)[C@H]1CCCC(=O)N1)c1cncc(C#N)n1 1095661045 DNQLDQIGSYLLRQ-GFCCVEGCSA-N 316.365 -0.041 30 20 DBED CN(C)C(=O)CC(=O)N[C@@H]1CCCN(c2ccnc(C#N)n2)C1 1096238532 ZFUGTSLRNQITCQ-LLVKDONJSA-N 316.365 -0.088 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCN(c2cncc(Cl)n2)C1 1096359925 JDHXJYJLAJPRFD-SNVBAGLBSA-N 321.768 -0.036 30 20 DBED N#Cc1cnc(N2CC[C@@H](NC(=O)CCCC(N)=O)C2)cn1 1096391305 GXMHAWHTQJOGRC-SNVBAGLBSA-N 302.338 -0.301 30 20 DBED C[C@H]1CCN(C(=O)C(=O)NC[C@@H](C)N=c2cc[nH]c(C#N)n2)C1 1098039383 JDNWTTFYFSQPIB-WDEREUQCSA-N 316.365 -0.445 30 20 DBED CNC(=O)NCC(=O)N1CC[C@@H](CNc2cncc(C#N)n2)C1 1098578812 FXQKEQPBQXCLFY-JTQLQIEISA-N 317.353 -0.462 30 20 DBED CCC(CC)C(=O)N[C@@H]1CCN(CC(=O)NCC#N)C[C@@H]1O 1099693856 YQAQXUNJBDTBEY-OLZOCXBDSA-N 310.398 -0.386 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2cccc(O)n2)[C@H](O)C1 1099754920 KADLYYCIGQXAQG-GXTWGEPZSA-N 319.361 -0.398 30 20 DBED C#CCOCCC(=O)N[C@H]1CCN(CC#CCOC)C[C@@H]1O 1099832553 JCTHGPGZBHUAEK-GJZGRUSLSA-N 308.378 -0.773 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)CCc2ccon2)[C@H](O)C1 1099923209 BJRORBCVTQQKJA-HUUCEWRRSA-N 321.377 -0.192 30 20 DBED C=CCNC(=O)CNC1CC(CNC(=O)[C@H]2COCCN2C)C1 1100253929 YMGPGSPCUBBMCJ-JXQTWKCFSA-N 324.425 -0.896 30 20 DBED C=CCNC(=O)[C@H](C)NC1CC(CNC(=O)c2cnnn2C)C1 1100292393 XMBZQIDDPSYTCC-UNXYVOJBSA-N 320.397 -0.396 30 20 DBED CCN(CCNC(=O)CCn1cnnn1)c1ncccc1C#N 1100600548 XOAFXUIZUVCELJ-UHFFFAOYSA-N 314.353 -0.027 30 20 DBED C#CCOCCC(=O)N(C)CCN=c1cc[nH]c(C(=O)OC)n1 1101781632 ZSZBKLMXSCQCBD-UHFFFAOYSA-N 320.349 -0.405 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)c1ccnc2ccnn12 1101821674 NCDYVFZAANWEKO-UHFFFAOYSA-N 322.332 -0.003 30 20 DBED CC[C@H](CNC(=O)[C@@H]1CCNC(=O)C1)N=c1cc[nH]c(C#N)n1 1103041074 NFOSMNDAANEYMA-GHMZBOCLSA-N 316.365 -0.397 30 20 DBED C[C@H](CNC(=O)[C@H]1CNC(=O)N1)CNc1cnc(C#N)cn1 1104183015 ABOBHBMMKWXYLN-WCBMZHEXSA-N 303.326 -0.806 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)[C@H]1C[C@H]1C(N)=O 1104827488 VWDWZNHXYVSGLC-AEJSXWLSSA-N 302.338 -0.850 30 20 DBED C#CCCNCc1cn(C2CN(C(=O)[C@@H]3CCOC3)C2)nn1 1105182091 WRBFXGPQTXPWHV-GFCCVEGCSA-N 303.366 -0.189 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(n2cc(CNCCOC)nn2)C1 1105240326 IHHCEWUTDSEDSU-LBPRGKRZSA-N 321.381 -0.564 30 20 DBED CC(C)[C@H](CNC(=O)[C@@H]1CNC(=O)N1)Nc1cnc(C#N)cn1 1105278096 UUDINBAKJINOEA-QWRGUYRKSA-N 317.353 -0.418 30 20 DBED CN(CCN(C)c1cncc(C#N)n1)C(=O)C[C@@H]1CCC(=O)N1 1105431059 XFVVEGPBBQBOFL-NSHDSACASA-N 316.365 -0.088 30 20 DBED Cn1cnc(C(=O)NC[C@H](O)CNc2ccc(C#N)nn2)c1 1105792791 SHDNBZDXYRFQRI-SNVBAGLBSA-N 301.310 -0.715 30 20 DBED CO[C@@H](C(=O)NC[C@@H](O)CNc1nc(C)cc(C#N)n1)C1CC1 1105832671 FXVURUWLRDUYSR-CHWSQXEVSA-N 319.365 -0.029 30 20 DBED N#Cc1cncc(NC[C@H](O)CNC(=O)[C@@H]2[C@H]3COC[C@H]32)n1 1106063018 QJXWTXWFTYNKKO-MEWQQHAOSA-N 303.322 -0.870 30 20 DBED Cc1ccc(C#N)c(NC[C@@H](O)CNC(=O)c2cnn[nH]2)n1 1106172341 ZFHQMLJZXASTHD-SNVBAGLBSA-N 301.310 -0.417 30 20 DBED C[C@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)CS(C)(=O)=O 1106239714 XGAXMSUPNUYVQO-SECBINFHSA-N 311.367 -0.879 30 20 DBED C[C@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)[C@]1(C)CNC(=O)C1 1106511852 ATWURQUHQDEZIL-BMIGLBTASA-N 316.365 -0.397 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)C[C@H](NC(C)=O)C(N)=O)C[C@H]1C 1106736343 NZEKZRDABLCFGD-BNOWGMLFSA-N 322.409 -0.926 30 20 DBED N#CCN1CC[C@@]2(CNC(=O)C[C@@H]3CC(=O)NC3=O)CCC[C@@H]12 1107658059 WFDKQZVRPKLDPL-XHBSWPGZSA-N 318.377 -0.076 30 20 DBED CO[C@H](C(=O)NC[C@]1(C)CN(CC#N)CCO1)c1cnn(C)c1 1108098828 ANZLSSXXUFKVAD-DZGCQCFKSA-N 321.381 -0.162 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)C(C)(C)N2CCOCC2)C1 1108281033 BQSLKXKYNONMIL-QGZVFWFLSA-N 323.437 -0.063 30 20 DBED CC(=O)N1CCC[C@@H]1C(=O)NC[C@@]1(C)CN(CC#N)CCO1 1108427335 YASHHWHJXYRGRM-HIFRSBDPSA-N 308.382 -0.272 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)C[C@@H](C)NC(N)=O)CC2=O)C1 1108544796 KGWXTEGUPIBOIV-GHMZBOCLSA-N 323.397 -0.979 30 20 DBED C[C@H](CN(C)c1cncc(C#N)n1)NC(=O)CCNC(N)=O 1108961222 ANQHAGROQXTRPY-SECBINFHSA-N 305.342 -0.652 30 20 DBED CNC(=O)NCC(=O)N[C@H](C)CN(C)c1ncccc1C#N 1109287221 IHMMOEZHIMOQMQ-SNVBAGLBSA-N 304.354 -0.177 30 20 DBED CN(CCCN=c1cc[nH]c(C#N)n1)C(=O)C(=O)NCC1CC1 1109503075 JDHRKNHCOJOCIS-UHFFFAOYSA-N 316.365 -0.443 30 20 DBED CCNC(=O)CC(=O)N[C@H]1[C@H]2C[C@H]1N(c1ccnc(C#N)n1)C2 1109704072 KWNHEPLXNSBZHZ-WMFXKJRFSA-N 314.349 -0.432 30 20 DBED N#Cc1ccc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)C2(C(N)=O)CC2)nc1 1109739634 DMKNRRPDQNLVLD-NTZNESFSSA-N 311.345 -0.088 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cnsn1 1110321833 KZZMPEGENWDIHV-FOGDFJRCSA-N 319.390 -0.377 30 20 DBED CC(=O)N[C@@H](C)C(=O)N(CCO)CCNc1cncc(C#N)n1 1111414083 VGCLOWAEFOJYSG-JTQLQIEISA-N 320.353 -0.894 30 20 DBED C[C@H](CC(N)=O)C(=O)N(CCO)CCNc1nccnc1C#N 1111535610 UWNGGRQHEIZOIC-SNVBAGLBSA-N 320.353 -0.907 30 20 DBED COCCCC(=O)NC[C@H]1CN(c2nccnc2C#N)C[C@@H]1O 1112705391 QSFCZZJYPTYTGK-AAEUAGOBSA-N 319.365 -0.312 30 20 DBED C=CCOCCCC(=O)N1CCN(Cc2nnn(C)n2)CC1 1112754121 NASGAYVQZNLRNA-UHFFFAOYSA-N 308.386 -0.163 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)CO[C@@H]2CCOC2)CC1 1112847975 DFAOYWNBSQWQAQ-ZIAGYGMSSA-N 323.393 -0.926 30 20 DBED COCC#CCN1CCN(C(=O)c2cc3n(n2)CCO3)CC1 1112969394 DCUWQNFOGPKHJO-UHFFFAOYSA-N 304.350 -0.317 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)Cc2cnc[nH]2)CC1 1113383608 HGXBWUPUAMVHAZ-GFCCVEGCSA-N 305.382 -0.213 30 20 DBED C[C@@H](CNC(=O)CS(C)(=O)=O)N(C)c1ccc(C#N)cn1 1113521471 WGUULCPAQNMDEP-JTQLQIEISA-N 310.379 -0.061 30 20 DBED C=CCNC(=O)NC(=O)CN1C[C@H]2[C@H](NC(=O)CCC)[C@H]2C1 1113785655 XXQLBQVORKVFJN-YABSGUDNSA-N 308.382 -0.155 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)c3cn[nH]c3)[C@H]2C1 1113917773 WVCGTLGCXLVALC-FTYKPCCVSA-N 301.350 -0.792 30 20 DBED C=CCNC(=O)NC(=O)CN1C[C@H]2[C@H](NC(=O)[C@@H](C)OC)[C@H]2C1 1113952591 HANALOIIFJUJQP-DCQANWLSSA-N 324.381 -0.921 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)Cc3cnn(C)c3)[C@H]2C1 1113993271 VXQQLIDEMCKFET-VIKVFOODSA-N 317.393 -0.689 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)c3ccn(C)c3)[C@H]2C1 1114138001 AHVVPFFRSZKBBJ-SPWCGHHHSA-N 314.389 -0.177 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@H]3OCCO[C@H]3C)[C@H]2C1 1114420154 CNCHSFSJCIAEIS-OBORUHMCSA-N 323.393 -0.861 30 20 DBED C[C@H](C(=O)NC1[C@H]2CN(CC(=O)NCC#N)C[C@H]12)C(F)(F)F 1114703069 LMWBAJJMWWNKEG-VGMNWLOBSA-N 318.299 -0.129 30 20 DBED Cc1ccoc1CC(=O)NC1[C@H]2CN(CC(=O)NCC#N)C[C@H]12 1114809954 JHQJULZQIIROGY-RYUDHWBXSA-N 316.361 -0.183 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)c3ccncn3)[C@H]2C1 1114993902 CLOIFITXCPNUAU-QWRGUYRKSA-N 301.350 -0.561 30 20 DBED CN(CCOCCNC(=O)[C@H]1CCOC1)c1nccnc1C#N 1115180890 WUFILKGCTYUWPO-LBPRGKRZSA-N 319.365 -0.046 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)c3[nH]cnc3CC)[C@@H]2C1 1115183893 BXCBSWJOZDXUCS-GHMZBOCLSA-N 315.377 -0.619 30 20 DBED N#CCCCS(=O)(=O)c1ccc(C(=O)NCC(N)=O)cc1 1116018864 MERVPVHSEPQQMM-UHFFFAOYSA-N 309.347 -0.021 30 20 DBED O=C(CN1CCCCC1=O)NCCN/C(O)=C1\N=CC=CC1=O 1116036920 PGMVYRMYCYCFEP-CCEZHUSRSA-N 320.349 -0.359 30 20 DBED C[C@@H](CN(C)C)NC(=O)NCCN/C(O)=C1/N=CC=CC1=O 1117480663 PHQSJBIAROLOHR-AGKQBQDBSA-N 309.370 -0.238 30 20 DBED C=CCNC(=O)CNC(=O)N1CC[C@H](CS(C)(=O)=O)C1 1117698488 HPYGZQFXGLUCDZ-JTQLQIEISA-N 303.384 -0.635 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)N2CC[C@H](n3cccn3)C2)C1 1118187568 ABQJMLSKXIPGJH-WFASDCNBSA-N 317.349 -0.466 30 20 DBED N#Cc1c(F)cccc1N[C@H](CO)CNC(=O)CNC(N)=O 1121018122 LKWBIXXRKMRVLT-QMMMGPOBSA-N 309.301 -0.745 30 20 DBED Cn1nncc1C(=O)NC[C@@H](CO)Nc1ccc(C#N)cn1 1121387623 SQSZQFNYDXIIFS-JTQLQIEISA-N 301.310 -0.715 30 20 DBED CCOCCOCC(=O)NC[C@H](CO)Nc1cnc(C#N)cn1 1121679337 ZVXIJRSPWOZXMV-GFCCVEGCSA-N 323.353 -0.710 30 20 DBED Cc1nonc1C(=O)NC[C@H](CO)Nc1ccc(C#N)nc1 1121735067 SLWGIUAXEGYMQK-LLVKDONJSA-N 302.294 -0.153 30 20 DBED CN(C[C@H](O)CNc1nccnc1C#N)C(=O)[C@H]1CCOC1 1124140943 OOSWOZBPXAAHFN-WDEREUQCSA-N 305.338 -0.384 30 20 DBED CSCC(=O)N(C)C[C@@H](O)CN(C)c1ccnc(C#N)n1 1124926393 VXEKGMKLMKPVKZ-JTQLQIEISA-N 309.395 -0.033 30 20 DBED C[C@@H](C#N)C(=O)N(C)C[C@@H](O)CN(C)c1ncnc2[nH]cnc12 1124988778 NCWDJTSFRJGVMP-UWVGGRQHSA-N 317.353 -0.232 30 20 DBED N#Cc1ccc(F)cc1CNCCNC(=O)Cn1cnnc1O 1126021243 IRUZOAMJMZWEGI-UHFFFAOYSA-N 318.312 -0.100 30 20 DBED COCCN(CCNC(=O)CCN(C)C)c1nccnc1C#N 1126498927 QDCZAKCJJQNASF-UHFFFAOYSA-N 320.397 -0.131 30 20 DBED C#CCOCCC(=O)NCCNCC(=O)Nc1cc(C)on1 1127031493 DYSSGWKGVWVAFA-UHFFFAOYSA-N 308.338 -0.333 30 20 DBED C=C(C)CN1C[C@H](n2ccnn2)[C@H](NC(=O)CN(C)C(C)=O)C1 1128730041 DJSNMRXHXPPFAS-KGLIPLIRSA-N 320.397 -0.326 30 20 DBED Cc1cncc(CCC(=O)NCCNCC(=O)NCC#N)c1 1131136007 QXTNNVMDWNQOCQ-UHFFFAOYSA-N 303.366 -0.332 30 20 DBED C=CCNC(=O)CN1C[C@H](NC(=O)Cn2nccn2)CC[C@@H]1C 1132060832 LQOTWZVSROAJKW-QWHCGFSZSA-N 320.397 -0.451 30 20 DBED C#CCNC(=O)CN1C[C@H](NC(=O)C(C)(C)C(N)=O)CC[C@@H]1C 1132120416 RHQOGGYQMALOGI-NWDGAFQWSA-N 322.409 -0.784 30 20 DBED COc1ccc(C#N)cc1CNCCNC(=O)[C@@H]1CCNC1=O 1132356152 QQZSDJRXNBFKOV-CYBMUJFWSA-N 316.361 -0.091 30 20 DBED C#CCNC(=O)CNCCNC(=O)Cc1ccc(OC)cn1 1132871160 AGPOLUTVYMWRBX-UHFFFAOYSA-N 304.350 -0.912 30 20 DBED C=CCN(CC=C)C(=O)CN[C@@H](C)C[C@H](C)NC(=O)CC(N)=O 1133985130 WMWHGPUFESTVFP-STQMWFEESA-N 324.425 -0.065 30 20 DBED C=CCNC(=O)CNCCNC(=O)CCc1nc(C2CC2)no1 1134917534 UXDYEBIWKLSAQJ-UHFFFAOYSA-N 321.381 -0.112 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1ccc2nncn2c1 1135249993 ICKSQKMSRZIZOU-LLVKDONJSA-N 314.349 -0.813 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)CCc2cnn(C)n2)C1 1150325022 NGVYMSXFZAVWLL-CQSZACIVSA-N 305.382 -0.412 30 20 DBED Cc1ccn(CC(=O)NC[C@H]2CN(CC#N)CCCO2)c(=O)c1 1150387230 WVFZJUQZFLNKPF-AWEZNQCLSA-N 318.377 -0.113 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1ccc2nn[nH]c2c1 1150711847 XFMJUTMNOGQTMF-SNVBAGLBSA-N 314.349 -0.585 30 20 DBED CCCS(=O)(=O)CC(=O)NC[C@H]1CN(CC#N)CCCO1 1150731937 VISOFTMUVDSESG-LBPRGKRZSA-N 317.411 -0.458 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@H]1CCCN1C(=O)CCC 1152103267 VGOIJIADODYMOZ-CYBMUJFWSA-N 322.409 -0.767 30 20 DBED C#CCN1CCC(C(=O)NCCN[C@@H](C)C(=O)N(C)C)CC1 1152330265 KISDJRASKFXNEK-ZDUSSCGKSA-N 308.426 -0.486 30 20 DBED C#CCNC(=O)CC(=O)NCCCNCC(=O)N(CC)C1CC1 1156852412 CJDUXGQSGMTSNA-UHFFFAOYSA-N 322.409 -0.767 30 20 DBED Cn1ccc(CCC(=O)NCCCNCC(=O)NCC#N)n1 1159093855 VQXUMXWRSPRBCB-UHFFFAOYSA-N 306.370 -0.912 30 20 DBED COCC1(CNC(=O)CNC(=O)OC)CCN(CC#N)CC1 1162131549 HPVRPDYCRNLLGL-UHFFFAOYSA-N 312.370 -0.289 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)CCc1cncnc1 1162570766 JGYGIDOOCNSPGM-CYBMUJFWSA-N 317.393 -0.357 30 20 DBED C#CCNC(=O)CNCCCNC(=O)C1(c2cc(C)no2)CC1 1164532141 OITKJDMKJUEHKB-UHFFFAOYSA-N 318.377 -0.140 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)[C@@H]1CCO[C@H]1C=C 1166986631 LAMLTXFSULKEKQ-MJBXVCDLSA-N 307.394 -0.189 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)c2cncnc2O)[C@H]1C 1178956892 CWZQGTCDDGJABY-JQWIXIFHSA-N 319.365 -0.323 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2cnc(C)cn2)C1 1180749462 ZGTJDPFZAPYTLB-GFCCVEGCSA-N 301.350 -0.661 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](C)[C@](C)(CNCc2nnn(C)n2)C1 1180914488 SDWVGKPWRTVGOQ-MISXGVKJSA-N 305.386 -0.056 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)COCC2CC2)C1 1181177065 IFQKCNMCBWAFMF-GXTWGEPZSA-N 307.394 -0.259 30 20 DBED Cc1cnn(C)c1C(=O)N1CC[C@@H](NCC(=O)NCC#N)C1 1184961899 JJZICCYSTJQHHI-LLVKDONJSA-N 304.354 -0.828 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H](n2cc(CNCC(N)=O)nn2)C1 1185900148 RSGKMVKSZLZYGE-ZYHUDNBSSA-N 319.369 -0.824 30 20 DBED C=CCOCCN1C[C@@H]2CCN(C(=O)[C@@H]3COC(=O)N3)[C@@H]2C1 1187742798 FRVWASOPYBAKRL-RWMBFGLXSA-N 309.366 -0.170 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)CSC(C)C)C1 1191135514 YEZLEPKLEAQWEK-CHWSQXEVSA-N 300.424 -0.061 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)c2[nH]ccc2C)C1 1192571155 MQCSUHUZDLZUKH-JHJVBQTASA-N 318.377 -0.764 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)CC(=O)N(C)C)C1 1192723207 CSUVRFVGFNNHCC-LBPRGKRZSA-N 310.398 -0.700 30 20 DBED CC#CCN(C)[C@@H]1CCN(C(=O)C2CC3(C2)NC(=O)NC3=O)C1 1192795441 YZKSAYJDPZFNRV-BWBHSNQOSA-N 318.377 -0.469 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)COCc2cc(C)on2)C1 1194054428 NNVWCLIMCDCUFZ-ZIAGYGMSSA-N 307.350 -0.316 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)CNC(=O)c2ccccc2F)C1 1198637548 DSFXANPTEJGCRB-ZIAGYGMSSA-N 321.352 -0.097 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)CS(=O)(=O)CCC)C1 1198766267 BRNLPZUAYOPLSJ-CHWSQXEVSA-N 318.439 -0.061 30 20 DBED C/C=C(\C)C(=O)N1CCCO[C@H](CNCC(=O)NCC#N)C1 1200216620 XTPZYBBBKXGUEL-ACDNVWSCSA-N 308.382 -0.201 30 20 DBED COCC#CCNCC1CCN(C(=O)[C@@H]2COCCO2)CC1 1204552130 LUIYXYSTWAKOAT-HNNXBMFYSA-N 310.394 -0.120 30 20 DBED Cc1cc(C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@H]2C)no1 1205884055 RKTBZESMCSNTOX-BXKDBHETSA-N 305.338 -0.327 30 20 DBED C=CCCN[C@H]1CCCN(C(=O)Cn2ccc(=O)n(C)c2=O)C1 1208278858 BYIZORWUWSHXBA-ZDUSSCGKSA-N 320.393 -0.296 30 20 DBED CCn1cnc(C(=O)N2CCC[C@@H](NCC(=O)NCC#N)C2)c1 1210690967 QMQXKVMTZUVWIT-GFCCVEGCSA-N 318.381 -0.263 30 20 DBED COCC#CCN1C[C@@H](NC(=O)COCC(F)F)[C@H](OC)C1 1213215924 VJYMCZOBWPIXKB-VXGBXAGGSA-N 320.336 -0.267 30 20 DBED C#CCOCCC(=O)N1C[C@@H](NCC(=O)N(C)CC)[C@H](C)C1 1214606783 PSABRCNNWQTABX-ZIAGYGMSSA-N 309.410 -0.059 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)c2nonc2C)C[C@H]1C 1217037853 NDSQZSSLYDEXOW-MWLCHTKSSA-N 307.354 -0.270 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(Cc2csnn2)C[C@@H]1O 1219527493 ROABWUOYFIPMCI-MDZLAQPJSA-N 312.395 -0.474 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2cnns2)C[C@@H]1O 1219609602 ZQHJPHCNAQGRPW-NEPJUHHUSA-N 310.379 -0.761 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C2(CC)CCC2)C1 1220192602 UPZNAPRBEFRMLX-OLZOCXBDSA-N 307.394 -0.523 30 20 DBED C[C@H](C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@@H]1O)C(C)(F)F 1220381535 RYSHSYRGIDPSOM-BBBLOLIVSA-N 318.324 -0.921 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(Cc2cnn(CC)n2)C[C@@H]1O 1221140001 YHYCDOYPNIYMIS-KGLIPLIRSA-N 323.397 -0.448 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2cnn(C)c2)C[C@@H]1O 1221141175 LPCOAYLYBPCFIS-YUTCNCBUSA-N 308.382 -0.328 30 20 DBED COCC#CCN1CC[C@@H]2CN(C(=O)[C@H]3COC(=O)N3)[C@@H]2C1 1221517945 ORHJXROHWVSDIE-JHJVBQTASA-N 307.350 -0.723 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCC(NC(=O)CN(C)C(C)=O)CC1 1226161011 CFDRQUBMJAFIOF-GFCCVEGCSA-N 324.425 -0.264 30 20 DBED C=CCN1CCS(=O)(=O)[C@H](CCNC(=O)[C@@H]2CCOC2)C1 1230516015 BQWGSDJKVSALOK-CHWSQXEVSA-N 316.423 -0.186 30 20 DBED Cc1ncncc1C(=O)N(C)C[C@H]1CCN1CC(=O)NCC#N 1230900493 UBKWTPOIMSMTJC-GFCCVEGCSA-N 316.365 -0.429 30 20 DBED C=CCNC(=O)CN1CC[C@H]1CN(C)C(=O)[C@H](C)n1cncn1 1233751799 PRYPAJQBKCRJPA-STQMWFEESA-N 320.397 -0.326 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N[C@H](C)CN1CCOCC1 1257059149 GDNXGYHPCOCVEB-CQSZACIVSA-N 305.378 -0.692 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)NCc1c(O)nnc(C)c1C 1258280985 WAOCLIGMINYDKE-JTQLQIEISA-N 308.338 -0.268 30 20 DBED C#CCCCNC(=O)C(=O)N(CCC)[C@@H]1CCS(=O)(=O)C1 1259925355 HXPVQANWFACIEG-GFCCVEGCSA-N 314.407 -0.058 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCCN2CCC[C@H]2C1)[C@H]1CCCO1 1323588052 PZPSZGNETYVKBB-SOUVJXGZSA-N 319.405 -0.020 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N(C)[C@@H](C)CS(=O)(=O)CC 1323824515 VWLNKLSUZWTNDW-WDEREUQCSA-N 320.411 -0.415 30 20 DBED C=CC[C@@H]1NC(=O)N(C[C@H]2CCCN2S(C)(=O)=O)C1=O 1326376759 XMFWALOKEKKMMN-ZJUUUORDSA-N 301.368 -0.093 30 20 DBED C#CCSCCNC(=O)C(=O)N1[C@H]2CC[C@H]1CC(=O)NC2 1331024851 DKVUTVFWNOFKMY-QWRGUYRKSA-N 309.391 -0.652 30 20 DBED C=CCn1cnnc1S(=O)(=O)CCCN1C(=O)CNC1=O 1331749374 JMZDIENOIOILRM-UHFFFAOYSA-N 313.339 -0.820 30 20 DBED N#Cc1ccc(N2CCC(N3C(=O)N[C@@H](CO)C3=O)CC2)nc1 1332403770 BTMCFHSWHXGRIT-LBPRGKRZSA-N 315.333 -0.165 30 20 DBED COC(=O)C1(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1 1342693939 YFOVENJKZFQXFL-ZHACJKMWSA-N 307.306 -0.418 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)NCCS(=O)(=O)CC1CC1 1347094114 DROIXAOCEPAQEF-UHFFFAOYSA-N 324.402 -0.588 30 20 DBED C=CCN(C(=O)[C@@H]1CNCCN1C)[C@@H]1CCS(=O)(=O)C1 1357203595 BZYYHQOSQZRVAQ-NEPJUHHUSA-N 301.412 -0.908 30 20 DBED N#Cc1cccc([C@@H]2CN(C(=O)Cn3nnc(N)n3)CCO2)c1 1362600066 GWCFALJCVSZOTF-LBPRGKRZSA-N 313.321 -0.273 30 20 DBED Cc1ncoc1CNC(=O)CCn1cc(C#N)c(O)nc1=O 1363674307 NNDZJHUHQANANB-UHFFFAOYSA-N 303.278 -0.177 30 20 DBED N#Cc1ncn(CCNC(=O)NCc2nc(C(F)F)no2)n1 1369784051 MGSQJXHHTWTGPO-UHFFFAOYSA-N 312.240 -0.030 30 20 DBED COCC(=O)NCCC(=O)N1CC[C@H](N(C)C(=O)[C@@H](C)C#N)C1 1385260548 MAFTUTIXYVKSDZ-RYUDHWBXSA-N 324.381 -0.642 30 20 DBED CCC(=O)NCC(=O)N[C@H](C)CNC(=O)c1c[nH]c(C#N)c1 1386233210 RZMFNGCGUGJSJJ-SECBINFHSA-N 305.338 -0.353 30 20 DBED CC(=O)N[C@@H](C)C(=O)N[C@@H](C)CN(C)C(=O)c1cc(C#N)c[nH]1 1395555825 UEQZOWLYTDILTI-UWVGGRQHSA-N 319.365 -0.012 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CCCN1C(=O)c1cn(C)c(=O)n1C 1399268256 FXKWDAMVMHIEDS-WDEREUQCSA-N 319.365 -0.396 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CCN(C(=O)c2cnnc(O)c2)C1 1408391023 ZKJZMWSTWDVTQI-ZJUUUORDSA-N 303.322 -0.080 30 20 DBED C[C@H]1C[C@H](C(=O)NCCn2cc(C#N)c(O)nc2=O)CCO1 1412369265 BWYKDKRXFOAIIW-VHSXEESVSA-N 306.322 -0.248 30 20 DBED Cn1c(Oc2ccc(C(N)=O)cc2F)c(C#N)c(=O)n(C)c1=O 1413924692 ZFENAHMNQSHKAK-UHFFFAOYSA-N 318.264 -0.014 30 20 DBED N#Cc1cn(CCNC(=O)C[C@@H]2C[C@H]3CC[C@H]2O3)c(=O)nc1O 1418535813 BSFHJUNHWGQTMU-MVWJERBFSA-N 318.333 -0.106 30 20 DBED C[C@@H](CNC(=O)Cn1nnc2c1CCCC2)NC(=O)[C@H](C)C#N 1428820318 GLHXMUISCMTQRC-MNOVXSKESA-N 318.381 -0.063 30 20 DBED C[C@@H](CN1CCOCC1)C(=O)N1CC(CNC(=O)[C@H](C)C#N)C1 1432476474 MTSDSZHMGPFRLD-OLZOCXBDSA-N 322.409 -0.311 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](NC(=O)Cn1ncnn1)C1CCCC1 1434133713 NSSSPWAXQHHZNP-PWSUYJOCSA-N 319.369 -0.376 30 20 DBED N#CCC1(O)CN(C(=O)c2ccn(CCn3cccn3)n2)C1 1467237539 OODIQAAYOOSQDS-UHFFFAOYSA-N 300.322 -0.120 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@@H](C)CNC(=O)CN(C)S(C)(=O)=O 1486894287 JZQAEPOXZUNDMO-UWVGGRQHSA-N 318.399 -0.999 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNc1ccc(-c2nn[nH]n2)cn1 1573577252 OGNMPFVRBLEQGD-WPRPVWTQSA-N 316.325 -0.690 30 20 DBED N#Cc1cccnc1NCCNC(=O)[C@]1(F)CNCC12COC2 1580080385 RXLXTWHEMCNTGN-OAHLLOKOSA-N 319.340 -0.191 30 20 DBED Cn1c(O)nc(N[C@@H]2CC[C@H](C#N)C2)c(-c2nn[nH]n2)c1=O 1581747337 JRADRGFXSZUWRL-NKWVEPMBSA-N 302.298 -0.230 30 20 DBED C=CCC1(O)CN(C(=O)[C@H](C)n2cnc(-c3nn[nH]n3)n2)C1 1588560460 QXKZSYYABHXQFH-QMMMGPOBSA-N 304.314 -0.831 30 20 DBED C=CCn1cc(C(=O)NCc2ccc(-c3nn[nH]n3)cn2)nn1 1588712677 BOOZBOFZBWVLNV-UHFFFAOYSA-N 311.309 -0.031 30 20 DBED C=CCCOCC(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)O 1588810364 KZHKDRDDQDEHSQ-JTQLQIEISA-N 305.352 -0.321 30 20 DBED O=S(=O)(NCC#CCO)c1ccc(-c2nn[nH]n2)cc1F 1593435046 LKCOFWSZIVBIMT-UHFFFAOYSA-N 311.298 -0.720 30 20 DBED CN1CN(S(=O)(=O)c2ccc(C#N)cc2C(=O)O)CC1=O 1598628556 ZAKQQKISICEUOY-UHFFFAOYSA-N 309.303 -0.323 30 20 DBED Cn1nc2c(c1S(=O)(=O)N(CC#N)CC(=O)O)CCCC2 1601018637 YENQSZDRHRGNSQ-UHFFFAOYSA-N 312.351 -0.102 30 20 DBED N#Cc1ccc(CC(=O)N2CCNC(=O)[C@H]2CC(=O)O)cn1 1601098779 YCNLGUPIUIATKX-LLVKDONJSA-N 302.290 -0.703 30 20 DBED C#CCn1cc(CNC(=O)CN2CCC[C@@H](C(=O)O)C2=O)cn1 1602738117 KJIYJOHXAVAGNS-GFCCVEGCSA-N 318.333 -0.544 30 20 DBED CN(CCNc1nccnc1-c1nn[nH]n1)c1nccnc1C#N 1609276060 GAZVJCNIEUFASE-UHFFFAOYSA-N 323.324 -0.133 30 20 DBED CS(=O)(=O)N=S1(=O)CCN(c2cc(C#N)ncn2)CC1 1645957500 COALHKIEEAMBDM-UHFFFAOYSA-N 315.380 -0.404 30 20 DBED N#Cc1ccc(N2C[C@@H](C(=O)NCCC(N)=O)CC2=O)cc1 1649708400 PRQAHXWLPHDZQE-NSHDSACASA-N 300.318 -0.097 30 20 DBED CCC[C@@H](C(=O)N1CC[C@H](CNCC#N)C1)S(N)(=O)=O 1752944964 CPRLDJQSGRBUEC-MNOVXSKESA-N 302.400 -0.595 30 20 DBED C#CCCNC[C@@H](O)CNC(=O)[C@H](C)N(C)CC(F)(F)F 1753925250 JXSYTHZQESUOPC-WDEREUQCSA-N 309.332 -0.041 30 20 DBED C#CCNC(=O)[C@H](C)NC1(CNC(=O)c2nc(C)c[nH]2)CC1 1754528611 OCYDSUHXTMUNLC-NSHDSACASA-N 303.366 -0.292 30 20 DBED C#CCNC(=O)CN1CC[C@@](C)(NC(=O)CCCCC(N)=O)C1 1754682364 NLFKPLXDYYDJSW-MRXNPFEDSA-N 322.409 -0.638 30 20 DBED CC(C)C#CC(=O)NC[C@@]1(O)CCN(CCN2CCNC2=O)C1 1754748071 DKOOARCIMWUQLI-INIZCTEOSA-N 322.409 -0.776 30 20 DBED C=CCNC(=O)CN1CC(O)(CNC(=O)[C@@H](C)CSC)C1 1754765118 XIHAGPGIJNSXQV-NSHDSACASA-N 315.439 -0.549 30 20 DBED C[C@@H](NC(=O)CN1CC(O)(CNC(=O)C#CC2CC2)C1)C1CC1 1754767733 QRSMCYZCPMZWLW-GFCCVEGCSA-N 319.405 -0.523 30 20 DBED C=CCN1CC(O)(CNC(=O)c2ccccc2OCC(N)=O)C1 1754770427 JXDHFKISJWPWNH-UHFFFAOYSA-N 319.361 -0.487 30 20 DBED C#CCN1CC(O)(CNC(=O)c2cccc3oc(O)nc23)C1 1754770687 VDALOXZXASYYEF-UHFFFAOYSA-N 301.302 -0.057 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CN(C)S(C)(=O)=O)C[C@H]1C 1755161145 JNIADJASFIGYJJ-CHWSQXEVSA-N 315.439 -0.130 30 20 DBED Cn1cnn(CC(=O)NC[C@H]2CCCCCN2CC#N)c1=O 1755365566 GWYFRPUGMZZDDP-GFCCVEGCSA-N 306.370 -0.534 30 20 DBED COCC#CCN1CC([C@H](C)NC(=O)c2ccc(=O)n(C)n2)C1 1755390680 XDYJGVLKMDCOKJ-LBPRGKRZSA-N 318.377 -0.520 30 20 DBED COCC#CCN1C[C@@H](NC(=O)[C@@H](C)CC(N)=O)C(C)(C)C1 1755409596 ABJFMYHTRQAMFQ-QWHCGFSZSA-N 309.410 -0.026 30 20 DBED COCC#CCN[C@H](CO)CNC(=O)c1cnc2nccn2c1 1755632256 CKRNZAOZHHXTPI-ZDUSSCGKSA-N 317.349 -0.941 30 20 DBED C=CCOCC(=O)N[C@@H]1CCCN(CC(=O)NCC#N)[C@H]1C 1755714561 NCBYQIQUABHVFV-QWHCGFSZSA-N 308.382 -0.202 30 20 DBED C#CCNC[C@@H](O)CN(C)C(=O)c1cnn(CCOC)c1C 1755779303 HPMZFEDPHNJHTA-CYBMUJFWSA-N 308.382 -0.506 30 20 DBED CN(C[C@H](O)CNCC#N)C(=O)c1ccccc1-n1ccnn1 1755796425 QJHMYCLQIXTQDR-GFCCVEGCSA-N 314.349 -0.187 30 20 DBED C#CCNC(=O)CC(=O)N(C)[C@H](C)CNC(=O)c1ccsn1 1756039059 CTVJJRZLUXMBCL-SNVBAGLBSA-N 322.390 -0.141 30 20 DBED C#CCOCCC(=O)N[C@H]1CCCN(C(=O)CC(=O)NC)[C@H]1C 1756624362 KEQBHNUUYBEWNT-STQMWFEESA-N 323.393 -0.342 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@H](O)[C@H](NC(=O)CC(F)(F)F)C1 1757158980 BPENLGWSXKCMFM-AEJSXWLSSA-N 322.283 -0.335 30 20 DBED C=CCCC(=O)N[C@H]1CCN(C(=O)C(=O)NCC2CC2)C[C@@H]1O 1757563280 UGTCSCXRMNOABG-STQMWFEESA-N 323.393 -0.443 30 20 DBED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](C)NC=O)C2 1781692480 PBCPWAJGEOYQFQ-XJKCOSOUSA-N 321.377 -0.732 30 20 DBED N#CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c[nH]c(=O)cn1 1799351254 PCVMEDFXVYWATP-JGPRNRPPSA-N 315.333 -0.065 30 20 DBED CC(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800776195 ZGBOTRWHRNMRFW-GNXNZQSNSA-N 308.334 -0.680 30 20 DBED C[C@H](S)C(=O)N1CCC2(CCCN(C(=O)C(O)O)C2)CC1 1805285956 TUZCXSKCYSZXCT-JTQLQIEISA-N 316.423 -0.153 30 20 DBED N#CCCC(=O)N1CCCC12CN(C(=O)[C@H]1CCC(=O)N1)C2 1842812649 BMEMEPBAOKNTKY-LLVKDONJSA-N 304.350 -0.228 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)CNC(C)=O)C1 1845989557 CVJKAGLLAMUXAQ-LBPRGKRZSA-N 323.393 -0.083 30 20 DBED Cn1cc(C#N)c(=O)n(CC(=O)NCc2ccccc2F)c1=O 11265181 KBLKXLZUAJTBRO-UHFFFAOYSA-N 316.292 -0.126 30 20 DBED C#CCNC(=O)CN1CCCC[C@@H]1CCNS(C)(=O)=O 48580588 ZAIPDUCPMZLLKP-GFCCVEGCSA-N 301.412 -0.470 30 20 DBED C[C@@H](CNS(=O)(=O)c1ccc(C#N)nc1)N1CCOCC1 170660323 WJIXYPUKBDBPKQ-NSHDSACASA-N 310.379 -0.048 30 20 DBED CCN(C[C@H](C)C#N)C(=O)CN1CCO[C@H](CNC(C)=O)C1 172191285 QAWMZMFZMFSTEB-TZMCWYRMSA-N 310.398 -0.169 30 20 DBED CN1CC[C@@H](NC(=O)CNC(=O)c2ccc(C#N)cc2)C1=O 172417538 IPZXBJLUKZADHH-GFCCVEGCSA-N 300.318 -0.365 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(CCOCC2CC2)c1=O 181550312 QPXAIWJJNAUQPP-UHFFFAOYSA-N 307.350 -0.030 30 20 DBED C/N=C(/NCCN1CCC1)N1CCN(C(=O)[C@H]2CCCO2)CC1 261952538 ZFESMZAFVWPVQH-CQSZACIVSA-N 323.441 -0.409 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCCC[C@H]2O)C1=O 270265468 KMNCLCIBFPLKKL-NXEZZACHSA-N 309.322 -0.617 30 20 DBED CS[C@H]1CN(c2c(C#N)c(=O)n(C)c(=O)n2C)C[C@@H]1N(C)C 270302611 AYIBYXHHAGPOFM-QWRGUYRKSA-N 323.422 -0.563 30 20 DBED N#Cc1cncc(S(=O)(=O)NCCN2C(=O)CCC2=O)c1 289928627 UUIBVZNIYSVLHT-UHFFFAOYSA-N 308.319 -0.619 30 20 DBED C=CCNC(=O)c1ccc(N2CCN(C(=O)CO)CC2)nc1 301970777 RSNLGRXZSDCCNW-UHFFFAOYSA-N 304.350 -0.362 30 20 DBED CN1CCO[C@@H]2CN(C(O)=Nc3ccc(C(N)=O)nc3)C[C@H]21 329132431 PFXJHRNBEPGDCV-VXGBXAGGSA-N 305.338 -0.259 30 20 DBED CN(/C(O)=N/[C@@H]1CCCN(S(C)(=O)=O)C1)[C@@H]1COC[C@H]1O 329249338 SYDVXDUUNZHYPE-GMTAPVOTSA-N 321.399 -0.984 30 20 DBED COCCN1CCCN(/C(O)=N/C[C@@H]2COCCO2)CC1=O 329834075 LMKZIYUXYUZYLA-GFCCVEGCSA-N 315.370 -0.504 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N1CC[C@H](C)S(=O)(=O)CC1 331985431 MXWDDQVLIYXNDF-QWRGUYRKSA-N 323.440 -0.026 30 20 DBED N#Cc1cccc(N2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)n1 351875802 JHXDKMJXVJCFNJ-CHWSQXEVSA-N 322.390 -0.767 30 20 DBED Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)NCC#CCO 352182311 PCFLERBSASZWHF-VIFPVBQESA-N 315.351 -0.930 30 20 DBED CCCN1CCC[C@@H]1CNS(=O)(=O)N1CCO[C@H](C#N)C1 352513065 URMXJCHPHKLJSG-CHWSQXEVSA-N 316.427 -0.080 30 20 DBED COCc1ncc(C(=O)N=c2ccn(CCC#N)[nH]2)c(N)n1 353817387 UABXAGKAMZRKLM-UHFFFAOYSA-N 301.310 -0.010 30 20 DBED CCOCCS(=O)(=O)NCC(=O)NCC1(CC#N)CC1 356339667 IWWHDOZRTRBQBF-UHFFFAOYSA-N 303.384 -0.248 30 20 DBED CCCC(=O)NC[C@H]1CCCN(C(=O)NCC(=O)NCC#N)C1 358282338 WNWUKOUOBKOELE-GFCCVEGCSA-N 323.397 -0.036 30 20 DBED COC(=O)CCNC(=O)C(=O)Nc1nn(C(C)C)cc1C#N 359142324 VHSLHJAZXOZUDB-UHFFFAOYSA-N 307.310 -0.047 30 20 DBED CC(C)OCCS(=O)(=O)NCC(=O)N1CC(C)(C#N)C1 361203717 DNVXMUJVGOTEJY-UHFFFAOYSA-N 303.384 -0.297 30 20 DBED C[C@H](O)C(=O)N1CCN(S(=O)(=O)CC(C)(C)CC#N)CC1 408460716 QOUUFLAPQZISAE-NSHDSACASA-N 317.411 -0.219 30 20 DBED COC(=O)c1ccc(N2CCN3C(=O)NC(=O)[C@@H]3C2)c(C#N)n1 514798325 IFXLFYLQWJFFPT-NSHDSACASA-N 315.289 -0.520 30 20 DBED N#Cc1ccc(S(=O)(=O)NCC(=O)NC2(CCO)CC2)cc1 563196595 WHNDJCOREFKHJP-UHFFFAOYSA-N 323.374 -0.132 30 20 DBED N#Cc1ncn(CCNC(=O)Nc2ccnc(OCCO)c2)n1 597124919 QGHJAHUIUIWFLG-UHFFFAOYSA-N 317.309 -0.262 30 20 DBED CN1CCN(S(=O)(=O)c2ccc(C#N)s2)[C@H](CO)C1 601469435 PZPAUSRJHGJONU-VIFPVBQESA-N 301.393 -0.083 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCC2(N)CCCC2)C1=O 659732394 JVNQIAKIDKLSEX-LBPRGKRZSA-N 322.409 -0.381 30 20 DBED N#Cc1ccc(NC(=O)C(=O)N2CCO[C@@H](C(=O)O)C2)cc1 739123731 SWECSQSFEAVEQD-LLVKDONJSA-N 303.274 -0.191 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)OCC2(CO)COC2)cc1 763676705 MFCRNXWPEPNQLN-UHFFFAOYSA-N 304.302 -0.160 30 20 DBED NC(=O)CNC(=S)NN=Cc1n[nH]c2cc(C(=O)O)ccc12 765575799 JCXTTYMJFYLBDJ-UHFFFAOYSA-N 320.334 -0.456 30 20 DBED C#C[C@H](N[C@@H](C)C(=O)N1CCC(C(N)=O)CC1)[C@H]1CCCO1 775796419 YIIOCXPVTZCOEU-FPMFFAJLSA-N 307.394 -0.131 30 20 DBED Cn1cc(S(=O)(=O)NCCOC(=O)c2c[nH]c(C#N)c2)cn1 786905713 VOXLQLHTSVUVKA-UHFFFAOYSA-N 323.334 -0.245 30 20 DBED C=CC[C@H](CO)CNS(=O)(=O)c1cnn(CC(=O)O)c1 833370579 LWXWRWJIQHMDCL-VIFPVBQESA-N 303.340 -0.569 30 20 DBED CC(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1cn(CC(=O)O)nn1 833386514 LRUVQMZREBUHAZ-NXEZZACHSA-N 305.342 -0.053 30 20 DBED C#CCOCCNC(=O)[C@H](CO)NC(=O)Cc1ccc(F)cc1 845942428 TUKDHYROOXWAJC-AWEZNQCLSA-N 322.336 -0.389 30 20 DBED C#CCOc1ccc(NC(=O)C(=O)NCC(=O)NOCC)cc1 846132215 YWFDXRXPHLMLMQ-UHFFFAOYSA-N 319.317 -0.179 30 20 DBED C#C[C@](C)(CC)NCC(=O)NCCCN(C)S(C)(=O)=O 852102808 QKQSEHGEIQSTDA-CYBMUJFWSA-N 303.428 -0.224 30 20 DBED CC[C@@H](O)CNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 855742125 LZNZRXYPHZGEBH-SECBINFHSA-N 311.363 -0.388 30 20 DBED C#CC1(O)CN(C(=O)N[C@H]2CCN(C3CCOCC3)C2=O)C1 893403095 QIUUGABNDCUPDE-LBPRGKRZSA-N 307.350 -0.844 30 20 DBED C[C@H](NS(=O)(=O)c1cncc(C#N)c1)[C@@H]1CN(C)CCN1C 919980930 GYBQMENQDNRUEJ-FZMZJTMJSA-N 323.422 -0.134 30 20 DBED C[C@@H](NS(=O)(=O)c1cccnc1C#N)[C@@H]1CN(C)CCN1C 919987941 ABGGMHKSQKTNLE-YPMHNXCESA-N 323.422 -0.134 30 20 DBED CC[C@H](CN1CCOCC1)NC(=O)[C@H](C)n1cnc(C#N)n1 928651564 QRTYYUAUROLBRM-NWDGAFQWSA-N 306.370 -0.062 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@H]1CNC(=O)C1CC(=O)NC(=O)C1 951086236 HMDSUDWZMBCZGA-NSHDSACASA-N 321.377 -0.032 30 20 DBED C[C@H]1C[C@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)C(N)=O 955794486 GXDUGZFBGFOXIY-DTWKUNHWSA-N 303.322 -0.519 30 20 DBED CC#CCN1C[C@H](CNC(=O)c2cn(C)ccc2=O)[C@@H](O)C1 958249120 RWYODMQYFNIOEJ-WFASDCNBSA-N 303.362 -0.569 30 20 DBED C=CCCN1C[C@H](CNC(=O)c2cc(C(N)=O)co2)[C@@H](O)C1 958403429 FHKLSIJAKDDKDJ-RYUDHWBXSA-N 307.350 -0.023 30 20 DBED N#CCN1C[C@@H](O)[C@@H](CNC(=O)c2nccn3ccnc23)C1 958419190 YZHRUZNBZFMOSR-WDEREUQCSA-N 300.322 -0.725 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2ccnc3nc(C)nn23)C1 958587097 GARWUSFLTQJFEP-WCQYABFASA-N 314.349 -0.912 30 20 DBED CN(C)C(=O)CN1C[C@H]2C(NC(=O)c3ccc(C#N)[nH]3)[C@@H]2C1 958589686 FILYTBQZBFLCDP-GHMZBOCLSA-N 301.350 -0.365 30 20 DBED N#CCN1C[C@@H](O)[C@@H](CNC(=O)c2ccc(C(N)=O)cc2)C1 958662186 PGWLDGPFZYSFMT-QWHCGFSZSA-N 302.334 -0.668 30 20 DBED COc1cc(C(=O)N(C)[C@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)on1 958829362 WAAWRDLEZBVFIG-GUBZILKMSA-N 322.321 -0.513 30 20 DBED C#CCN1C[C@H]2[C@H](NC(=O)c3cc(O)nc4ncn(C)c34)[C@H]2C1 960234946 QEOJPOQLOAMYBP-PJXYFTJBSA-N 311.345 -0.033 30 20 DBED N#CCN1C[C@H]2[C@H](NC(=O)[C@H]3CCc4nnc(O)n4C3)[C@H]2C1 960659354 UTPYDONLNCBTRL-UXCLJVHYSA-N 302.338 -0.884 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C(F)F)C[C@@H]1O 964610994 XDEFEOZOCGWCRT-ZNSHCXBVSA-N 318.320 -0.079 30 20 DBED C=C(Br)CN[C@@H]1CCN(C(=O)Cn2cnnn2)C1 966889318 NUKJXZMQZYIMOC-SECBINFHSA-N 315.175 -0.228 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)C2(C)CCOCC2)C1 968906287 QDRAGEBYLIDRJM-TUAOUCFPSA-N 309.366 -0.349 30 20 DBED Cc1nc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)c(C)o1 970061366 CSSCTEJFVMWQFF-ONOSFVFSSA-N 306.322 -0.247 30 20 DBED C#CCN1C[C@H]2CC[C@H]1CN2C(=O)CN1CCCS1(=O)=O 971447709 VOJAPLKZFYCAKS-QWHCGFSZSA-N 311.407 -0.670 30 20 DBED N#Cc1cc(C(=O)N2CC[C@]3(CN(CC(N)=O)CCO3)C2)c[nH]1 972353984 VLRBDSBZPHBXKK-HNNXBMFYSA-N 317.349 -0.711 30 20 DBED C#CCCN1CCO[C@]2(CCN(C(=O)[C@H]3CCC(=O)NC3)C2)C1 972442897 BGLUYJUAXXCBDF-WMLDXEAASA-N 319.405 -0.161 30 20 DBED CC(=O)N1CC[C@@H](C(=O)N2CC[C@@]3(CN(CC#N)CCO3)C2)C1 972657233 YIEDCIULNBGZEK-GDBMZVCRSA-N 320.393 -0.318 30 20 DBED C#CCOc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)C(N)=O)C2)cc1 973287152 OYYHTTHEKBPHGP-HAQNSBGRSA-N 315.329 -0.439 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]2CN(C(=O)C(N)=O)[C@@H]2C1 974958790 FGSULQZQYAPLNS-XQHKEYJVSA-N 321.377 -0.488 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H]2CCN(C(=O)CC(N)=O)C2)c1 982559486 RHJLEUMSVYQQID-SECBINFHSA-N 303.322 -0.660 30 20 DBED Cn1oc(C(=O)NC[C@@H]2CCN(C(=O)C#CC3CC3)C2)cc1=O 982742502 PDWSYTQXEMANMU-LBPRGKRZSA-N 317.345 -0.030 30 20 DBED C[C@@H](C#N)C(=O)N1CCC([C@H](C)NC(=O)c2nnn(C)n2)CC1 986991181 AAPQESSRZXQJRV-UWVGGRQHSA-N 319.369 -0.273 30 20 DBED N#CCNC1CCN(C(=O)C2CC3(C2)CS(=O)(=O)C3)CC1 996713520 BZAODTAQXJSKSL-UHFFFAOYSA-N 311.407 -0.085 30 20 DBED CC(C)N1C[C@H](C(=O)NCC2CN(C(=O)[C@H](C)C#N)C2)CC1=O 1002443326 PUGGZXMHELJGLQ-DGCLKSJQSA-N 320.393 -0.022 30 20 DBED C=C1CCC(C(=O)NCC2CN(C(=O)Cn3cnnn3)C2)CC1 1004113731 MDYXLPWIQKOXGQ-UHFFFAOYSA-N 318.381 -0.006 30 20 DBED C[C@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1NC(=O)Cn1cnnn1 1004472090 GWOIQLHIBYMTKM-AAEUAGOBSA-N 316.365 -0.560 30 20 DBED CN(C(=O)CN1C(=O)NC(=O)C1(C)C)C1CCN(CC#N)CC1 1006251279 GRGHWJHOIXGNQN-UHFFFAOYSA-N 321.381 -0.237 30 20 DBED CC#CCN1CCC[C@@H](NC(=O)Cn2ccc(O)nc2=O)C1 1007830234 CNIPDUPELQOBBO-GFCCVEGCSA-N 304.350 -0.447 30 20 DBED COCC(=O)N1CCO[C@H]([C@@H](C)NC(=O)c2c[nH]c(C#N)c2)C1 1009606312 GHAITBCOHRXFJT-MFKMUULPSA-N 320.349 -0.122 30 20 DBED C#CCOc1ncccc1C(=O)N[C@@H]1CCN([C@@H](C)C(N)=O)C1 1016012521 DMFTUVHVHOZLFJ-NWDGAFQWSA-N 316.361 -0.229 30 20 DBED C[C@H]1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)CN1C(=O)C(N)=O 1018085179 ASYYJDCNMYVEJE-WPRPVWTQSA-N 303.322 -0.519 30 20 DBED O=C(C#CC1CC1)N1CC2(CCN(C(=O)[C@@H]3COCCO3)C2)C1 1019009385 XEOOGEJWWRGSPH-AWEZNQCLSA-N 318.373 -0.124 30 20 DBED C=CCn1cc(C(=O)N[C@H]2C[C@@H](NCC(=O)N3CCC3)C2)nn1 1022824818 NBQUGXNNDYHIRY-TXEJJXNPSA-N 318.381 -0.453 30 20 DBED CC(C)n1nccc1C(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1O 1023883880 MRTQFOOPTXZXEC-DMDPSCGWSA-N 319.365 -0.075 30 20 DBED Cc1c[nH]c(CC(N)=O)c1C(=O)NC[C@H]1CCN(CC#N)C1 1028818608 VAWTXVOCBQVWFI-LLVKDONJSA-N 303.366 -0.074 30 20 DBED C=CCN1CC[C@@H](N2CC(CNC(=O)c3cnon3)C2)C1=O 1032062679 DTEQVMXEJHYLPI-GFCCVEGCSA-N 305.338 -0.482 30 20 DBED C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)CN1CCC(=O)NC1=O 1032719150 YVNXMRQDXATAKK-RYUDHWBXSA-N 304.350 -0.763 30 20 DBED C#CCN1CC[C@H](N(C)C(=O)[C@@H]2CCc3nnnn3CC2)C1 1033436381 IIJIYMWCMUZGIA-OLZOCXBDSA-N 302.382 -0.209 30 20 DBED C=CCCN1CCO[C@H](CNC(=O)[C@H]2CCS(=O)(=O)N2)C1 1035614239 PBTGRSWUUSIROI-VXGBXAGGSA-N 317.411 -0.929 30 20 DBED O=C(C#CC1CC1)NC[C@]1(O)CCN(C(=O)Cn2ccnc2)C1 1039685274 MCGARFQCTJWDFW-MRXNPFEDSA-N 316.361 -0.624 30 20 DBED CCCN(C)CC(=O)NC[C@@]1(O)CCN(C(=O)C#CC2CC2)C1 1040446783 MCFYYUBOSICRKL-KRWDZBQOSA-N 321.421 -0.179 30 20 DBED CCNC(=O)CCC(=O)N1CC[C@@](O)(CNC(=O)[C@@H](C)C#N)C1 1040759904 DVYSTTNBSUUMOY-XHDPSFHLSA-N 324.381 -0.858 30 20 DBED C=CCCC(=O)N1CC[C@@](O)(CNC(=O)[C@@H](COC)OC)C1 1040843529 QYRAZIYRXMWDSX-IUODEOHRSA-N 314.382 -0.306 30 20 DBED N#Cc1cncc(N2C[C@@H](O)[C@H](NC(=O)c3cc(F)c[nH]3)C2)n1 1041257713 JLHMTEUOOMGZHD-VXGBXAGGSA-N 316.296 -0.205 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)CSC)C1 1041362135 HYSBWIGWHFJWGO-SNVBAGLBSA-N 300.380 -0.923 30 20 DBED CS[C@H](C)C(=O)NCC1(O)CN(C(=O)c2c[nH]c(C#N)c2)C1 1041620885 ZYNZPBAZOVETIS-SECBINFHSA-N 322.390 -0.059 30 20 DBED N#CCN1CC[C@@H]2CCN(C(=O)CCN3C(=O)CCC3=O)C[C@H]21 1042143665 ZGNWEJVFIIBSDG-CHWSQXEVSA-N 318.377 -0.028 30 20 DBED C=CCOCCCC(=O)NCC1(O)CN(C(=O)[C@H](C)OC)C1 1042306875 GWTJXTZSAROIDX-LBPRGKRZSA-N 314.382 -0.306 30 20 DBED C=CCn1cc(C(=O)N2CC(O)(CNC(=O)/C(C)=C\C)C2)nn1 1042445411 HTXVWYMMBKOXEY-WZUFQYTHSA-N 319.365 -0.267 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)CCCC(=O)NC)C1 1042679524 UDNSRFFSNZQYMA-UHFFFAOYSA-N 323.393 -0.604 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)c2c[nH]c(C#N)c2)C1 1042936427 HYWMHSHFTOWXPM-UHFFFAOYSA-N 314.345 -0.151 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)[C@@H](C2CC2)N(C)C)C1 1042941409 ZIEANCMEEZMYJR-OAHLLOKOSA-N 321.421 -0.325 30 20 DBED C=C[C@@H](CC)CC(=O)NCC1(O)CN(C(=O)c2nc[nH]n2)C1 1045069060 OCJDGNIMDQBSKU-JTQLQIEISA-N 307.354 -0.290 30 20 DBED CCc1ncoc1C(=O)N1CC(O)(CNC(=O)[C@H](C)C#N)C1 1045551320 HKHCWOREYYEEMU-SECBINFHSA-N 306.322 -0.300 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)CN(C)C2CCC2)C1 1045565488 YJGQWNZKBYNNQQ-LLVKDONJSA-N 308.382 -0.680 30 20 DBED C#Cc1cncc(C(=O)NCC2(O)CN(C(=O)CCOC)C2)c1 1046336840 IUKAITFOYJAMOG-UHFFFAOYSA-N 317.345 -0.598 30 20 DBED CC[C@H](C(N)=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]c(C#N)c2)C1 1047354069 WBPSNZQVOSOTAJ-AGIUHOORSA-N 319.365 -0.733 30 20 DBED C=CCCC(=O)N(C)[C@H]1CN(C(=O)[C@H](C)n2cncn2)C[C@@H]1O 1048510641 QNGCIOAWQAGVON-AVGNSLFASA-N 321.381 -0.165 30 20 DBED C=CCO[C@H](C)C(=O)N(C)[C@H]1CN(C(=O)c2ccon2)C[C@@H]1O 1049010988 LRJYYPJXYUDMTJ-WXHSDQCUSA-N 323.349 -0.091 30 20 DBED C#CCN1C[C@H]2CN(C(=O)[C@]3(C)CCCS3(=O)=O)C[C@H]2C1 1049112826 DCYQBTPGLLPEFN-GUTXKFCHSA-N 310.419 -0.023 30 20 DBED C#CCCN1CCOC[C@H]1CNC(=O)[C@H]1CCN(C(C)=O)C1 1051227603 ONYLJSIQCJAEPE-LSDHHAIUSA-N 307.394 -0.305 30 20 DBED C#CCN1CCN([C@H]2CCN(C(=O)c3cnnn3CC)C2)CC1 1052024501 FGLCAOIETVUJLO-AWEZNQCLSA-N 316.409 -0.237 30 20 DBED CC#CCN1CCN([C@H]2CCN(C(=O)[C@@H]3CCC(=O)N3)C2)CC1 1052109285 AFRXTTADRXKWHX-GJZGRUSLSA-N 318.421 -0.493 30 20 DBED C=CCN1CC2(C1)CN(C(=O)C[C@H]1CCN(C)C1=O)CCO2 1053297969 DWTZXHYBZMAISZ-CYBMUJFWSA-N 307.394 -0.046 30 20 DBED COc1cc(C(=O)N2CCOC3(CN(CC#N)C3)C2)nn1C 1053336753 LJRFXVQWCYSVJP-UHFFFAOYSA-N 305.338 -0.521 30 20 DBED Cc1nn(C)c(F)c1C(=O)N[C@@H]1COC2(C1)CN(CC#N)C2 1053995358 WUIVDNVINAGAFG-JTQLQIEISA-N 307.329 -0.036 30 20 DBED C=C(Cl)CN[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@@H]1C 1054820948 WPIUJCISYVBCFX-GXSJLCMTSA-N 313.789 -0.229 30 20 DBED COC(=O)c1nc(=N[C@@H]2CCN(C(=O)[C@H](C)C#N)C2)cc[nH]1 1056587779 SGVGNOIHOVNCMK-NXEZZACHSA-N 303.322 -0.142 30 20 DBED N#CCSCC(=O)N1C[C@@H]2CCCN(C(=O)C(N)=O)[C@@H]2C1 1056711482 QCRLYBLMCYEEBM-VHSXEESVSA-N 310.379 -0.822 30 20 DBED CN1C(=O)CC[C@H]1C(=O)N1CC[C@@H](Nc2nccnc2C#N)C1 1056747387 TXBHVGRNUKUTHO-PWSUYJOCSA-N 314.349 -0.018 30 20 DBED CN(c1nccn2nnnc12)[C@@H]1CCN(C(=O)C#CC2CC2)C1 1056912958 BOILATUYZIOGCC-GFCCVEGCSA-N 311.349 -0.030 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)[C@H]1CCNC(=O)C1 1057517499 UWCQJJALQWNGGM-ZDUSSCGKSA-N 323.393 -0.891 30 20 DBED Cc1nonc1CC(=O)NCCN(CCO)C(=O)C#CC(C)C 1057521938 QPGJSGIZLXJVJO-UHFFFAOYSA-N 322.365 -0.483 30 20 DBED COC(=O)[C@H]1C[C@@H]1C(=O)NCCN(CCO)C(=O)C#CC1CC1 1057531750 XRWGXBQIOXDFBB-STQMWFEESA-N 322.361 -0.854 30 20 DBED C#CCOCCC(=O)N(CCO)CCNC(=O)c1ncc[nH]1 1057581846 XOOYLLWFNZPRIO-UHFFFAOYSA-N 308.338 -1.000 30 20 DBED CCCN(C)CCC(=O)N(CCO)CCNC(=O)[C@@H](C)C#N 1058252454 KMBLKVSTPBUSQP-ZDUSSCGKSA-N 312.414 -0.185 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)[C@@]1(F)CCOC1 1058663258 MHQRQWVCVLHZBQ-GXFFZTMASA-N 301.318 -0.788 30 20 DBED N#Cc1cnc(N[C@H]2CCN(C(=O)[C@@H]3COCCO3)C2)cn1 1058846033 DPJZTLUWAFJWFW-JQWIXIFHSA-N 303.322 -0.224 30 20 DBED C=CCOCC(=O)NCC[C@@H]1CCN(C(=O)c2cnn(C)n2)C1 1059930343 JIASOSVGSFUAMP-GFCCVEGCSA-N 321.381 -0.014 30 20 DBED N#Cc1cnc(N2CC[C@@H](CNC(=O)[C@@H]3COC(=O)N3)C2)cn1 1061593624 ZIOSKUBNKHHKOR-ONGXEEELSA-N 316.321 -0.601 30 20 DBED C#CCO[C@H](C)C(=O)N1CCOC[C@H]1CNC(=O)c1cnon1 1061803949 DKFADNZISMLRGN-GHMZBOCLSA-N 322.321 -0.935 30 20 DBED CCn1nncc1C(=O)N1CCOC[C@@H]1CNC(=O)[C@H](C)C#N 1061846648 GEVJDUIUWVHXQN-MNOVXSKESA-N 320.353 -0.585 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)C1=CCOCC1 1061848747 UTUJAMCLHRRIFT-WCQYABFASA-N 307.350 -0.164 30 20 DBED Cc1nn[nH]c1C(=O)N1CCOC[C@@H]1CNC(=O)[C@H](C)C#N 1061851735 PIPZGQBHRAFZSJ-SCZZXKLOSA-N 306.326 -0.770 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)C[C@@H]2CC(=O)NC2=O)CCC1 1063596987 HZCZIMGIUHHYQE-VHSXEESVSA-N 320.349 -0.646 30 20 DBED N#Cc1cccnc1N1C[C@H]2C[C@H]1[C@H]2NC(=O)Cn1ncnn1 1064297596 LGTTUXWKSURIIL-MDZLAQPJSA-N 310.321 -0.667 30 20 DBED Cc1cc(C(=O)N2CCO[C@H](CNC(=O)[C@H](C)C#N)C2)n[nH]1 1064912612 BOHBPNJUCCUSRE-MWLCHTKSSA-N 305.338 -0.165 30 20 DBED CO[C@H](C)C(=O)NC[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)CCO1 1065063609 JAYOXJGTMVYXJA-ZWNOBZJWSA-N 320.349 -0.122 30 20 DBED C#CCCCC(=O)N1CCO[C@H](CNC(=O)CC(=O)NC)C1 1065093640 ZEPUQFJUBSBUMD-GFCCVEGCSA-N 309.366 -0.730 30 20 DBED C=CCO[C@@H](C)C(=O)NC[C@H]1CN(C(=O)c2ncc[nH]2)CCO1 1065124492 NZWUTMAXFACGRD-RYUDHWBXSA-N 322.365 -0.042 30 20 DBED C=C(C)CCC(=O)N1CCO[C@@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 1065224393 OOBDYILGWKIXJG-RYUDHWBXSA-N 324.381 -0.632 30 20 DBED Cc1nn[nH]c1C(=O)N1CCO[C@@H](CNC(=O)C#CC2CC2)C1 1065415247 IJBNZYFOJPQJAA-LBPRGKRZSA-N 317.349 -0.516 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)c2cnon2)CCO1 1065507648 QAHPTMOZDWMNNS-LLVKDONJSA-N 306.322 -0.170 30 20 DBED CCc1nc(C#N)cc(N[C@H]2CN(C(=O)C(N)=O)C[C@H]2C)n1 1067190530 AUXORSSPIGKWIH-SCZZXKLOSA-N 302.338 -0.345 30 20 DBED N#Cc1nc(=NCC2CC(NC(=O)[C@@H]3COCCO3)C2)cc[nH]1 1067833550 NHSCZZMACXWITO-MCIGGMRASA-N 317.349 -0.508 30 20 DBED Cc1nn[nH]c1C(=O)NC[C@H]1[C@@H]2CN(c3nccnc3C#N)C[C@H]12 1068193059 VMSPOSSPUNIHEP-RTCCRHLQSA-N 324.348 -0.113 30 20 DBED C=CCCCC(=O)N[C@H]1COC2(C1)CN(C(=O)CNC(C)=O)C2 1068992157 GXCNKQVDOHLSDA-CYBMUJFWSA-N 323.393 -0.035 30 20 DBED Cc1cnc(C(=O)N[C@@H]2CN(CC#N)C[C@@H]2n2ccnn2)cn1 1069893343 SXAKHURBYZMLIJ-OLZOCXBDSA-N 312.337 -0.445 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)c4cnn(C)n4)C[C@@]3(C1)O2 1070867100 FQSUURHWYXSBQD-LALPHHSUSA-N 301.350 -0.636 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)[C@@H]2COCCO2)CC1 1070941683 ABCNZVXZKYXRCZ-ZDUSSCGKSA-N 311.382 -0.762 30 20 DBED C#CCCCCC(=O)N[C@H]1CN(C(=O)Cn2ncnn2)C[C@H]1C 1072165130 KPIKKGSGFASBMW-OLZOCXBDSA-N 318.381 -0.170 30 20 DBED C[C@H]1CN(C(=O)Cn2cnnn2)CC[C@@H]1NC(=O)C#CC1CC1 1073945729 IULBQPORTBLMGR-AAEUAGOBSA-N 316.365 -0.560 30 20 DBED C=CCOCC(=O)N1CC[C@H](NC(=O)Cn2cncn2)[C@@H](C)C1 1074254706 SXRPLLHZAYKZQU-STQMWFEESA-N 321.381 -0.166 30 20 DBED Cn1cnc(C(=O)N2CC[C@@H]3OCCN(CC#N)[C@H]3C2)cc1=O 1074268820 OROVIMMGODCWNJ-STQMWFEESA-N 317.349 -0.781 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(O)(CNC(=O)c2cc[nH]n2)CC1 1074703865 UURKTHYGLDBAMJ-JTQLQIEISA-N 305.338 -0.347 30 20 DBED CC(=O)N[C@@H](C)C(=O)NCC[C@H](C)NC(=O)CSCC#N 1075506819 BBHWOGGDBGGPIX-UWVGGRQHSA-N 314.411 -0.221 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2ccc(CNC(C)=O)cc2)C1 1077321880 QYIXIQLMMGBUIY-HZPDHXFCSA-N 315.373 -0.269 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCCN2C(N)=O)C1 1077981657 WFWNDPFNGVXSEW-FRRDWIJNSA-N 310.398 -0.343 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)c2cccc(C(N)=O)n2)C1 1078246057 JTVSPBDJLNHIRG-ZIAGYGMSSA-N 318.377 -0.078 30 20 DBED C=C[C@@](C)(O)CC(=O)N(CC)C1CN(C(=O)c2cnnn2C)C1 1079684919 UVRRIEOQOUFNRU-OAHLLOKOSA-N 321.381 -0.185 30 20 DBED C=CCCOCC(=O)N(CC)C1CN(C(=O)[C@@H]2CNC(=O)N2)C1 1079978318 JMYQCWRQYMOJDM-LBPRGKRZSA-N 324.381 -0.680 30 20 DBED C=C(Cl)CN1C[C@@H](NC(=O)Cn2cnnn2)[C@H](OC)C1 1081339819 JVTHFTCRQVVMJY-NXEZZACHSA-N 300.750 -0.759 30 20 DBED C#CCCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)Cc2cc[nH]n2)C1 1081369266 WJZAOKJLLHOTHE-GXTWGEPZSA-N 318.377 -0.309 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(C(=O)C2=COCCO2)C[C@@H]1O 1081468804 OOYVRTGMTQFYRT-STQMWFEESA-N 320.345 -0.777 30 20 DBED Cc1nocc1C(=O)N1C[C@@H](O)[C@@H](CNC(=O)C#CC2CC2)C1 1081472191 WKWROIDFXHSVAY-GXTWGEPZSA-N 317.345 -0.054 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2cnc(O)n2C)C1 1081639785 DDMIFSCBWWTCMR-ZYHUDNBSSA-N 322.365 -0.359 30 20 DBED CC#CCN1C[C@@H](NC(=O)CN2CCCCC2=O)[C@H](OC)C1 1081889371 WUDBRLLMGRWHHG-ZIAGYGMSSA-N 307.394 -0.162 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)C(=O)N1CCC[C@H](C)C1 1083216099 IIZVWQOLPXOKAE-SOUVJXGZSA-N 319.405 -0.210 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)c2cnn(CCOC)c2)C1 1084005294 RHLADCPMNCARJJ-KGLIPLIRSA-N 306.366 -0.672 30 20 DBED N#CCN1CC[C@@H]2CN(C(=O)[C@H]3CN4CC5CC4(CO3)C5)[C@@H]2C1 1084532897 UJFJFABIXWJLFS-VXSWHIBVSA-N 316.405 -0.094 30 20 DBED CCN(c1ncccc1C#N)[C@H](C)CNC(=O)CNC(N)=O 1089571558 IYOGIYAJYLOGRJ-SNVBAGLBSA-N 304.354 -0.047 30 20 DBED N#CCN1C[C@@H]2[C@@H]3CC[C@@H](CN3C(=O)Cn3cnnn3)[C@H]2C1 1089771398 ZFSWKJFRVYQFGE-RNJOBUHISA-N 301.354 -0.635 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)c2ccn3nnnc3c2)[C@H](O)C1 1090487780 ZUVHKPFTNMACBN-CHWSQXEVSA-N 316.365 -0.135 30 20 DBED C=CCN1CC[C@@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)[C@@H](O)C1 1090785257 YTZCTGXEKBUYNX-MNOVXSKESA-N 324.381 -0.946 30 20 DBED CC#CCN1CC[C@H](NC(=O)CN2CCCCCC2=O)[C@@H](O)C1 1090790021 KSZWHKOQNVQVMZ-GJZGRUSLSA-N 321.421 -0.036 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1091153099 QWQASFJFLRNIKN-UHTWSYAYSA-N 315.333 -0.948 30 20 DBED C=CCN1C[C@@H]2CN(C(=O)Cn3ncn(C)c3=O)C[C@]2(C)C1 1091804010 QFHGRLDKXNNKNM-DOMZBBRYSA-N 305.382 -0.452 30 20 DBED CNC(=O)NCC(=O)NCC1CC(N=c2cc[nH]cc2C#N)C1 1092269151 KHRACOKAUKQSJF-UHFFFAOYSA-N 316.365 -0.389 30 20 DBED CN(C)CCOCC(=O)N1CCN(c2ccc(C#N)nn2)CC1 1093166639 WYBLABIQSUORKF-UHFFFAOYSA-N 318.381 -0.425 30 20 DBED C#CCNC(=O)CC(=O)NCCNc1cc(C)nc(OC)n1 1093558269 LCTNEHOMFWLACU-UHFFFAOYSA-N 305.338 -0.539 30 20 DBED C#CCN1CCC(C(=O)NCCN=c2cc[nH]c(C#N)n2)CC1 1093686211 FMFKPAHFLZWBOO-UHFFFAOYSA-N 312.377 -0.357 30 20 DBED Cn1cc(CCC(=O)NCCN=c2cc[nH]c(C#N)n2)nn1 1093713671 RYYFHSLUVZNTKL-UHFFFAOYSA-N 300.326 -0.940 30 20 DBED N#Cc1c[nH]ccc1=NCCNC(=O)C[C@H]1CCC(=O)NC1 1093924949 YVEBSXZNWOTCDU-LLVKDONJSA-N 301.350 -0.180 30 20 DBED N#Cc1nc(=NCCNC(=O)CCCCc2cnn[nH]2)cc[nH]1 1094019834 ZSHOWYSDESXZCF-UHFFFAOYSA-N 314.353 -0.171 30 20 DBED N#Cc1cnc(NCCNC(=O)c2ccc3nn[nH]c3n2)cn1 1094209765 NDLCKDIWKRTESY-UHFFFAOYSA-N 309.293 -0.144 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCCNc1nccn2nnnc12 1094384388 RFWJUDNHXQDYME-CYBMUJFWSA-N 305.342 -0.235 30 20 DBED Cn1cc(C(=O)NCCCN=c2cc[nH]c(C#N)n2)n(C)c1=O 1094463992 GJIGLNSYZOWZQU-UHFFFAOYSA-N 315.337 -0.961 30 20 DBED N#Cc1cncc(NCCCNC(=O)CC2CS(=O)(=O)C2)n1 1094652219 WCBBNKWTJNZLLK-UHFFFAOYSA-N 323.378 -0.299 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)[C@@H]3CCCCN3C)CC2=O)C1 1094751771 XERACXBRYTTZPO-ZFWWWQNUSA-N 318.421 -0.495 30 20 DBED CCNC(=O)CC(=O)N1CC[C@H](N(C)c2cncc(C#N)n2)C1 1095108994 MGRLZKRAEWBOJU-LBPRGKRZSA-N 316.365 -0.088 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CCCN(c2ccnc(C#N)n2)C1 1096132967 LQNOOZBSSZKFQT-LLVKDONJSA-N 302.338 -0.431 30 20 DBED CNC(=O)CN1CCC2(CC1)CN(C(=O)[C@H](C)C#N)C[C@H](C)O2 1098574457 LRDSLVZEERQYHW-OLZOCXBDSA-N 322.409 -0.026 30 20 DBED C#CCNCc1cn([C@H]2CCN(C(=O)[C@@H](C)OCC#C)C2)nn1 1098673934 WIEHHNPNKOOBFV-HIFRSBDPSA-N 315.377 -0.187 30 20 DBED Cn1nccc1CN1CC[C@H](NC(=O)C#CC2CC2)[C@H](O)C1 1099823939 MHVUODSANDEQTP-LSDHHAIUSA-N 302.378 -0.115 30 20 DBED C#CCOCCC(=O)N[C@H]1CCN(Cc2nc(C)no2)C[C@H]1O 1099833058 QOOHUZQDXSIPOI-QWHCGFSZSA-N 322.365 -0.531 30 20 DBED C#CCCN1CC[C@H](NC(=O)CCN2C(=O)CCC2=O)[C@@H](O)C1 1099908655 HLIBDRSULSDPRE-STQMWFEESA-N 321.377 -0.900 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)Cn2ccc(C)n2)[C@@H](O)C1 1100005860 JAAHDKMSSFBMLE-GJZGRUSLSA-N 322.409 -0.054 30 20 DBED C=CCNC(=O)CNC1CC(CNC(=O)[C@H]2CCC(=O)NC2)C1 1100471011 LFRGCHKJWPZTNB-CPCZMJQVSA-N 322.409 -0.701 30 20 DBED CCN(CCNC(=O)[C@@H](C)CC(N)=O)c1cncc(C#N)n1 1100694646 GYNJJEAZXCHCMB-JTQLQIEISA-N 304.354 -0.198 30 20 DBED N#Cc1cncc(N2CCC[C@@H]2CNC(=O)Cn2cnnn2)n1 1100776924 VENQOPGUPJFEHC-LLVKDONJSA-N 313.325 -0.880 30 20 DBED C=CCOCCNC1CC(CNC(=O)CN2C(=O)CCC2=O)C1 1100964044 IHIICOMZKIHNLT-UHFFFAOYSA-N 323.393 -0.178 30 20 DBED COCC#CCNC1CC(CNC(=O)[C@H]2CCC(=O)N(C)C2)C1 1101037429 MIXRBDZTTNBWIT-SLTAFYQDSA-N 321.421 -0.011 30 20 DBED CN(CCNc1cnc(C#N)cn1)C(=O)CCn1cncn1 1101502030 ZQULWPGPRUJSNW-UHFFFAOYSA-N 300.326 -0.100 30 20 DBED CN(CCNc1ccc(C#N)nc1)C(=O)Cn1cnnc1O 1101551858 IMQKZTJSRLNNEK-UHFFFAOYSA-N 301.310 -0.179 30 20 DBED CN(CCNc1cnc(C#N)cn1)C(=O)c1cc(=O)n(C)cn1 1102030702 YRYWQURLOFSWGF-UHFFFAOYSA-N 313.321 -0.374 30 20 DBED C#CCN1C[C@@H](C)[C@H](CNC(=O)CCNC(=O)[C@@H]2CCCO2)C1 1102616286 RQSXGZAXWZWFRP-KFWWJZLASA-N 321.421 -0.011 30 20 DBED COCCO[C@@H](C)C(=O)NC[C@@H](C)CN=c1cc[nH]c(C#N)n1 1104073513 LVCZUZOOONWMCI-RYUDHWBXSA-N 321.381 -0.014 30 20 DBED Cc1cc(C(=O)N2CC(n3cc(CNCC#N)nn3)C2)n[nH]1 1105176716 VVBLPSYQYHSKFJ-UHFFFAOYSA-N 300.326 -0.380 30 20 DBED CN(CCN(C)c1ccc(C#N)nn1)C(=O)C[C@@H]1CCC(=O)N1 1105430561 PIWCPIAOAMLAJR-NSHDSACASA-N 316.365 -0.088 30 20 DBED N#Cc1cnc(NC[C@H](O)CNC(=O)CO[C@@H]2CCOC2)cn1 1105972121 CYEKPIGUALJSSG-NWDGAFQWSA-N 321.337 -0.957 30 20 DBED Cc1ccc(C#N)c(NC[C@@H](O)CNC(=O)[C@@H](C)CC(N)=O)n1 1106060216 QBHNWZOIOBEPSO-JOYOIKCWSA-N 319.365 -0.338 30 20 DBED Cc1c(C(=O)NC[C@H](O)CN=c2cc[nH]c(C#N)n2)ccn1C 1106085354 RRORJZZYNDCVRZ-LLVKDONJSA-N 314.349 -0.380 30 20 DBED C[C@@H]1CC[C@H](C(=O)NC[C@H](O)CNc2nccnc2C#N)O1 1106110515 SWPLVHOFWLLEHE-CKYFFXLPSA-N 305.338 -0.195 30 20 DBED N#Cc1cnc(NC[C@@H](O)CNC(=O)CCc2cnc[nH]2)cn1 1106149714 DWJIJDQOAVMORU-GFCCVEGCSA-N 315.337 -0.407 30 20 DBED N#CCN1CC(n2cc(CNC(=O)CCc3nc[nH]n3)nn2)C1 1107156032 OVCDJYGRRFZARD-UHFFFAOYSA-N 315.341 -0.975 30 20 DBED N#CCN1CC(n2cc(CNC(=O)CC3OCCCO3)nn2)C1 1107164190 UMGASQVJNPOETJ-UHFFFAOYSA-N 320.353 -0.572 30 20 DBED N#Cc1c[nH]ccc1=NC/C=C/CNC(=O)[C@H]1CNC(=O)N1 1107489778 IYWJIPHQSCYHQO-YYRQZUAOSA-N 300.322 -0.859 30 20 DBED CC#CCN1CCO[C@](C)(CNC(=O)C2CN(C(C)=O)C2)C1 1107898675 IIPQTUAUTXOLTH-MRXNPFEDSA-N 307.394 -0.305 30 20 DBED CC(C)C#CC(=O)NC[C@@]1(C)CN(CC(=O)N(C)C)CCO1 1107926501 IVPWNYHXELRLET-INIZCTEOSA-N 309.410 -0.059 30 20 DBED C=CCN1CCO[C@](C)(CNC(=O)CNS(=O)(=O)CC)C1 1107979367 FMBXLDCBMDOJIV-CYBMUJFWSA-N 319.427 -0.681 30 20 DBED C#CCCN1CCO[C@@](C)(CNC(=O)c2nnc(O)nc2O)C1 1108050852 AQBJKCMWQDOOEE-AWEZNQCLSA-N 321.337 -0.873 30 20 DBED Cn1cc(C(=O)NC[C@]2(C)CN(CC#N)CCO2)n(C)c1=O 1108427123 UOROWHORBPQVBA-CQSZACIVSA-N 307.354 -0.932 30 20 DBED C[C@@H](O)CN1CC(N2C[C@H](NC(=O)C#CC(C)(C)C)CC2=O)C1 1108544645 HSTLHZIAIBKCIV-CHWSQXEVSA-N 321.421 -0.182 30 20 DBED C=CCCC(=O)NC[C@@]1(O)CCN(c2nccn3nnnc23)C1 1111045745 RUGNLEMXWDCXSL-AWEZNQCLSA-N 317.353 -0.457 30 20 DBED C=CCCC(=O)N(CCO)CCN=c1cc[nH]c(C(=O)OC)n1 1111427811 CGIOQRXCHOOJOT-UHFFFAOYSA-N 322.365 -0.116 30 20 DBED CCO[C@H](CC)C(=O)N(CCO)CCN=c1cc[nH]c(C#N)n1 1111433472 CDGYFKJRLLSVJE-GFCCVEGCSA-N 321.381 -0.182 30 20 DBED CC#CCN1CCC2(CC1)CN(C(=O)CNC(N)=O)C[C@H](C)O2 1111536049 YFYBZKPQGSIDEA-ZDUSSCGKSA-N 322.409 -0.240 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2CCC[C@]2(CNCC(=O)NC)C1 1112348957 JEKPBHUXWZOOKF-ZQIUZPCESA-N 321.421 -0.011 30 20 DBED C=CCOCCN1CCN(C(=O)[C@@H](C)S(C)(=O)=O)CC1 1113020659 WGZFXBRFKQXRBD-GFCCVEGCSA-N 304.412 -0.234 30 20 DBED Cc1nc(N(C)[C@@H](C)CNC(=O)Cn2cnnn2)ccc1C#N 1113486688 DZLCJPHSZRCVRQ-JTQLQIEISA-N 314.353 -0.111 30 20 DBED COC(=O)NCC(=O)NC[C@H](C)N(C)c1ccc(C#N)nn1 1113512399 IRTXYZBLRMAFOF-VIFPVBQESA-N 306.326 -0.355 30 20 DBED C[C@@H](CNC(=O)CCn1ccnn1)N(C)c1ccc(C#N)nn1 1113579761 ULBZRTWQLPVSHN-NSHDSACASA-N 314.353 -0.029 30 20 DBED C[C@@H](CNC(=O)c1cn(C)nn1)N(C)c1ccc(C#N)nn1 1113581610 XUNTYJNDBBCLKH-VIFPVBQESA-N 300.326 -0.269 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)CN3CCCC3=O)[C@H]2C1 1113833374 CACHWIVIHAMMEO-VIKVFOODSA-N 305.378 -0.695 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)COCC=C)[C@H]2C1 1114050370 BAQCCVHPKHKEDF-AVGNSLFASA-N 307.394 -0.074 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@@H]2CN(Cc3cnsn3)C[C@@H]12 1114157167 AEDOYCRBXZCNMU-GHMZBOCLSA-N 319.390 -0.776 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)CCc3ncc[nH]3)[C@H]2C1 1114206649 NWEDMPGGGJVCGH-RYUDHWBXSA-N 315.377 -0.862 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)CC(C)(C)O)[C@H]2C1 1114212502 KIRNCUZTTAQFBC-NMKXLXIOSA-N 309.410 -0.116 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)c3ccc(C)nn3)[C@H]2C1 1114244894 GSHNNEQLLQDXKQ-RYUDHWBXSA-N 315.377 -0.253 30 20 DBED N#Cc1cnc(N2C[C@H]3[C@H](CNC(=O)CC(N)=O)[C@H]3C2)c(F)c1 1114546395 BXEQSEHBOUQTGJ-RTCCRHLQSA-N 317.324 -0.234 30 20 DBED C=CCC1(C(=O)N[C@H]2[C@@H]3CN(CC(N)=O)C[C@@H]32)CCOCC1 1115182446 LPCODONNIDPPEP-IMRBUKKESA-N 307.394 -0.109 30 20 DBED CN(C(=O)CC(N)=O)[C@@H](CN=c1cc[nH]c(C#N)n1)C1CC1 1115486165 FXQDLGMTGHQDLZ-JTQLQIEISA-N 302.338 -0.706 30 20 DBED C[C@@H](CN(C)C(=O)CCNC(N)=O)Nc1cncc(C#N)n1 1115727205 GQQLKIVIIJVYNW-VIFPVBQESA-N 305.342 -0.335 30 20 DBED N#CCSCC(=O)NS(=O)(=O)c1ccc(C(N)=O)s1 1116043873 WRDPEMKYQACEOD-UHFFFAOYSA-N 319.389 -0.091 30 20 DBED C#C[C@H](C)NC(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 1116641814 IFOHZYJSYZAUBN-UWVGGRQHSA-N 301.368 -0.999 30 20 DBED C#CCOCCNC(=O)C(=O)N[C@@H]1C[C@H](OCC)[C@@]12CCCO2 1117394903 GBYPBWWNTLQBDQ-DVOMOZLQSA-N 324.377 -0.405 30 20 DBED C#CCn1cc(CNC(=O)c2nc(C)n(-c3nc[nH]n3)n2)cn1 1117773663 VTKQIFADWUIQIK-UHFFFAOYSA-N 311.309 -0.546 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CCC[C@@H]2COC)nn1 1119081318 ZUKHSKSNVSEQQE-GFCCVEGCSA-N 307.354 -0.282 30 20 DBED C=CCN1CC[C@H](N(C)Cc2cn(Cc3ncon3)nn2)C1=O 1119560752 WOPWLGMCISWYBB-LBPRGKRZSA-N 317.353 -0.072 30 20 DBED C#CC(=O)N[C@H](C(=O)N(C)Cc1nnc2n1CCC2)C(C)C 1120043324 JLIKRYKWVORQCB-AWEZNQCLSA-N 303.366 -0.043 30 20 DBED CC(=O)NC(C)(C)C(=O)NC[C@H](CO)Nc1ccc(C#N)nn1 1121778358 SWQKJQKVFOHUAT-LLVKDONJSA-N 320.353 -0.848 30 20 DBED N#Cc1nc(=N[C@H](CO)CNC(=O)[C@H]2CCC2(F)F)cc[nH]1 1122163811 HFVUKJLNNWOQQZ-DTWKUNHWSA-N 311.292 -0.296 30 20 DBED Cn1cncc1C(=O)NC[C@@H](CO)Nc1cnc(C#N)cn1 1122218551 IDMMMKFLDNLAAR-JTQLQIEISA-N 301.310 -0.715 30 20 DBED CO[C@@H](C(=O)NC[C@@H](CO)Nc1cncc(C#N)n1)C(C)C 1122444967 LTCCLSXUCGGPBF-WCQYABFASA-N 307.354 -0.092 30 20 DBED CN(C[C@H](O)CNc1ccc(C#N)nn1)C(=O)[C@@H]1CCOC1 1124142232 ZAGFNLRSPUVKQF-ZYHUDNBSSA-N 305.338 -0.384 30 20 DBED CN(C[C@@H](O)CNc1nccnc1C#N)C(=O)CCCC(N)=O 1124394140 RTKDJSXWIPUCLD-JTQLQIEISA-N 320.353 -0.765 30 20 DBED COCC#CCNCCNC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 1127262532 ORSDODASVPITLK-LBPRGKRZSA-N 319.365 -0.882 30 20 DBED C#CCN1CCn2ncc(CNC(=O)CCNC(=O)NC)c2C1 1128347165 NYBDJPJWCZJVBJ-UHFFFAOYSA-N 318.381 -0.733 30 20 DBED C#CCCN[C@@H]1CN(C(=O)CNC(C)=O)C[C@H]1c1cn(C)cn1 1130480428 MZTOEDZBXXCRDG-DZGCQCFKSA-N 317.393 -0.537 30 20 DBED C[C@@H]1CC[C@H](NC(=O)Cc2cc[nH]n2)CN1CC(=O)NCC#N 1131931757 XMFYEQFMPWBCPW-YPMHNXCESA-N 318.381 -0.439 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2cnn[nH]2)CC[C@H]1C 1132144653 IGJIHKFXSBXADQ-MNOVXSKESA-N 304.354 -0.863 30 20 DBED CN1C[C@@H](C(=O)NCCNCC#Cc2ccc(F)cc2)NC1=O 1132382352 IXLFJQPNYOPRFH-AWEZNQCLSA-N 318.352 -0.093 30 20 DBED C[C@H]1CCN(C(=O)c2cn(C)c(=O)cn2)C[C@H]1CNCC#N 1132993537 RYUIAAQTERRWEW-NWDGAFQWSA-N 303.366 -0.008 30 20 DBED C=CCO[C@H](C)C(=O)N1CC2(CCN(Cc3nnnn3C)C2)C1 1148873973 DDQJCKHPOXRSOQ-GFCCVEGCSA-N 320.397 -0.165 30 20 DBED COCCC1(NC(=O)CN(C)C(C)=O)CCN(CC#N)CC1 1150970674 KWXNUJUKFFSZSA-UHFFFAOYSA-N 310.398 -0.024 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)[C@H]1CCC(=O)N1C 1164481345 XCLROVWWVVLKEV-VXGBXAGGSA-N 310.398 -0.606 30 20 DBED C=CCNC(=O)CNCCCNC(=O)CCCC(=O)N(C)C 1171451450 MSNCLLIOTUQNPV-UHFFFAOYSA-N 312.414 -0.357 30 20 DBED C=CCNC(=O)CNCCCC[C@@H](C)NC(=O)Cn1cncn1 1176475458 CUAXVSXEJJMOIK-CYBMUJFWSA-N 322.413 -0.155 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)Cc2cccnc2)[C@H]1C 1178472894 FMNSUCXLPYMGKM-ZFWWWQNUSA-N 314.389 -0.048 30 20 DBED C=CCOCCN[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)[C@H]1C 1180084207 QULAZSUAZZBVEU-RYUDHWBXSA-N 324.381 -0.680 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2ccc(O)nn2)C1 1180788137 PBIQBXOQCQTRSZ-WDEREUQCSA-N 319.365 -0.323 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](C)[C@](C)(CN[C@@H](C)C(N)=O)C1 1181173418 JEEVGRRXBOSKJN-BFQNTYOBSA-N 322.409 -0.926 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2nn(C)cc2C)C1 1182440817 FJCWBIRQNMLHLG-CHWSQXEVSA-N 317.393 -0.329 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)[C@]2(C)CNC(=O)C2)C1 1184499230 AQOQWVYVCYIRGA-ABAIWWIYSA-N 308.382 -0.995 30 20 DBED C[C@H]1CN(C(=O)C2CC(=O)NC(=O)C2)CC[C@H]1CNCC#N 1185283492 PZFOVSRXZDUTSO-QWRGUYRKSA-N 306.366 -0.363 30 20 DBED C#CCN[C@H]1CCCO[C@H]1C1CCN(C(=O)CNC(N)=O)CC1 1186114802 PHOHPBBUYGHFAD-ZFWWWQNUSA-N 322.409 -0.336 30 20 DBED CCn1nc(C(=O)N2CC[C@@H](NCC#CCOC)C2)ccc1=O 1186421092 YGKIYQSOPZYMQL-CYBMUJFWSA-N 318.377 -0.283 30 20 DBED COC[C@H](O)CN(C)[C@@H]1CCN(C(=O)CSCC#N)C1 1188959275 PWZGZOYKBAWTIX-VXGBXAGGSA-N 301.412 -0.217 30 20 DBED Cc1cnc(CN2C[C@@H](O)[C@H](NC(=O)CSCC#N)C2)cn1 1191149598 ZXBCQOZUDZKCPK-CHWSQXEVSA-N 321.406 -0.297 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)Cc2ccoc2)C1 1192429666 OQGKWCAMYNKAGF-IACUBPJLSA-N 321.377 -0.326 30 20 DBED C=C(C)CCN(C)[C@H]1CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)C1 1192696894 ZDOVBIWOYOKVTL-KBPBESRZSA-N 324.425 -0.135 30 20 DBED C=CCCCN1C[C@@H](O)[C@H](NC(=O)CN2C(=O)CN(C)C2=O)C1 1198450641 HWZQXANRYDAASU-VXGBXAGGSA-N 324.381 -0.992 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2noc(CC)n2)C[C@H]1O 1199314932 UNYYCJWWGRKGNC-IJLUTSLNSA-N 324.381 -0.116 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)CCNC(=O)[C@@H]2CCCO2)C1 1199466004 FIYBUMPHMSPPCM-UPJWGTAASA-N 311.382 -0.981 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)C(=O)C(C)(C)C)CC1 1199847047 JWCZGWOZBJUWMB-UHFFFAOYSA-N 307.394 -0.068 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)[C@H]2COCCN2C)CCCO1 1200313509 YSJCIWFNERNBSM-HUUCEWRRSA-N 309.410 -0.453 30 20 DBED Cn1cc(C(N)=O)cc1C(=O)N1CCCO[C@H](CNCC#N)C1 1200894411 LNAHSXUSPADMNK-GFCCVEGCSA-N 319.365 -0.532 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)c2c[nH]nc2CC)CC1 1201413629 INCCHAGWCJNSHX-UHFFFAOYSA-N 317.393 -0.084 30 20 DBED C=CCOCCNC[C@@H]1CN(C(=O)Cn2cncn2)CCCO1 1202006003 LEIOMPYRDIMEIL-CQSZACIVSA-N 323.397 -0.312 30 20 DBED CC[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1207621173 BITNQJUBKZQDGU-BHPKHCPMSA-N 322.409 -0.122 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)[C@@H](OC)C2CCC2)[C@H](C)C1 1208220101 NHPKZTXJFSXWRY-XPKDYRNWSA-N 321.421 -0.013 30 20 DBED C=CCCN[C@@H]1CCCN(C(=O)CNC(=O)CNC(C)=O)C1 1208439586 SSGKQWYUVMRBIL-CYBMUJFWSA-N 310.398 -0.605 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1209110575 BSVOHEFEUBHHJP-RMRHIDDWSA-N 305.378 -0.791 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)CC(=O)N(C)C)[C@H](C)C1 1209238010 GTPLDVFREUZNGX-VXGBXAGGSA-N 310.398 -0.797 30 20 DBED N#CCN[C@@H]1CCCN(C(=O)CNC(=O)c2cccnc2)C1 1209755611 OPJDAYYWEILTDX-CYBMUJFWSA-N 301.350 -0.084 30 20 DBED CCn1cc(C(=O)N2CCC[C@@H](NCC(=O)NCC#N)C2)nn1 1210386862 ACXJLMAACFRMOQ-LLVKDONJSA-N 319.369 -0.868 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)[C@@H]2[C@H]3CCC[C@H]32)[C@H](OC)C1 1212081886 YRMWIVRQSUSJFI-SGPHBRAGSA-N 319.405 -0.403 30 20 DBED COCC#CCN1C[C@@H](NC(=O)C[C@H]2COC(=O)C2)[C@H](OC)C1 1212120686 SRHKIYXJQYINEA-MGPQQGTHSA-N 324.377 -0.595 30 20 DBED CO[C@@H]1CN(Cc2cn(C)nn2)C[C@H]1NC(=O)C#CC1CC1 1212245723 AWTQHECZTJGGFA-ZIAGYGMSSA-N 303.366 -0.456 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2cnnn2C)C[C@H]1OC 1212257450 CCIRUJVZBIVSNR-MRVWCRGKSA-N 321.381 -0.831 30 20 DBED COCC#CCN1C[C@@H](NC(=O)CN2CCC[C@@H]2C)[C@H](OC)C1 1213438136 PVIWVQMFFKUICW-ARFHVFGLSA-N 323.437 -0.064 30 20 DBED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)c1nocc1C 1213674040 STKNOQLHVVSHSM-GHMZBOCLSA-N 321.337 -0.948 30 20 DBED CC[C@H](NC(C)=O)C(=O)N1C[C@@H](NCC#CCOC)[C@H](C)C1 1215622093 MUMPKUWTYOQULV-VHDGCEQUSA-N 309.410 -0.013 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)Cc2cnc[nH]2)C[C@H]1C 1215684989 LNOHXXJOXGMXTD-MBNYWOFBSA-N 317.393 -0.473 30 20 DBED C#CCN[C@@H]1CN(C(=O)CCS(=O)(=O)N(C)C)C[C@H]1C 1216824804 LUAMEZPROLRWAW-VXGBXAGGSA-N 301.412 -0.662 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CCCNC(=O)C1CC1 1218066255 RTWDVHCSLXINTN-UONOGXRCSA-N 320.393 -0.272 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)/C=C\C(C)(C)C)C1 1219376745 GMIBUAFMWBZKGG-FAVCKAPTSA-N 307.394 -0.501 30 20 DBED CCCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 1219417715 BCGMNPGQRXAJKS-OLZOCXBDSA-N 319.365 -0.813 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2nc(C)c(C)o2)C[C@@H]1O 1219603318 XCMJFCHKZAKLBN-MJBXVCDLSA-N 321.377 -0.009 30 20 DBED C=CCC(C)(C)C(=O)N[C@@H]1CN(CCOCCO)C[C@@H]1O 1220434653 VFIJKVVFVHWYLD-OLZOCXBDSA-N 300.399 -0.241 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)C(C)(C)NS(C)(=O)=O)[C@@H]2C1 1221857251 WTYXJBDLBGJMTL-VXGBXAGGSA-N 313.423 -0.520 30 20 DBED C=CCCN1CCC(CNC(=O)CS(=O)(=O)NC)CC1 1225471984 IUUGPLMVHPILBZ-UHFFFAOYSA-N 303.428 -0.060 30 20 DBED Cn1cc(CC(=O)NC2CCN(CC(=O)NCC#N)CC2)cn1 1226471601 RFDHCIFXFJUUBI-UHFFFAOYSA-N 318.381 -0.817 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)[C@H]2CCOC[C@@H]2C)CC1 1229058256 ICBUJHGGLHWPTC-ZFWWWQNUSA-N 321.421 -0.011 30 20 DBED C#CCN1CCS(=O)(=O)[C@H](CCNC(=O)[C@H](O)C(C)C)C1 1230459859 KUYOLQONEADDOF-CHWSQXEVSA-N 316.423 -0.758 30 20 DBED C#CCN(CCCNC(=O)CNC(N)=O)Cc1cccnc1 1230662142 BPMYWHYJZQDDOQ-UHFFFAOYSA-N 303.366 -0.309 30 20 DBED COCCCNC(=O)CN1CC[C@@H]1CN(C)C(=O)[C@@H](C)C#N 1231245896 BTVZTHAJGYAAIK-QWHCGFSZSA-N 310.398 -0.169 30 20 DBED CN(C[C@H]1CCN1CC(=O)NCC#N)C(=O)CC[C@H]1CCOC1 1233580277 KDITXQIKDYVIDF-UONOGXRCSA-N 322.409 -0.024 30 20 DBED CCOC(=O)NCC(=O)NCCN/C(O)=C1\N=CC=CC1=O 1318645206 YWOODPIWCHCFDJ-VAWYXSNFSA-N 310.310 -0.625 30 20 DBED C=C[C@H](COC)NC(=O)N1CCC[C@@H](S(=O)(=O)NC)C1 1320299977 AAWLGMFOZYDBTR-GHMZBOCLSA-N 305.400 -0.089 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCCN2CCC[C@@H]2C1)[C@@H]1CCCO1 1323588049 PZPSZGNETYVKBB-ILXRZTDVSA-N 319.405 -0.020 30 20 DBED CO[C@@H]1[C@H](C)[C@@H](NC(=O)C(=O)N2CCO[C@H](C#N)C2)C1(C)C 1323764057 QGMQAAQLJRBJIB-DDHJBXDOSA-N 309.366 -0.087 30 20 DBED C[C@@H]1C[C@@H](CNC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)CCO1 1326125106 BZZPIYWDFQOMCC-XUJVJEKNSA-N 309.366 -0.205 30 20 DBED C[C@@H]1CN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)C[C@@]1(C)CO 1327748899 OQBXPQFCJLXXFD-UGFHNGPFSA-N 309.366 -0.660 30 20 DBED C=CCOCCNC(=O)C(=O)N[C@@H]1CCO[C@@]2(CCOC2)C1 1327782129 FTDPSJYYNRQSHR-DOMZBBRYSA-N 312.366 -0.241 30 20 DBED C=CCn1c(COCCOC)nnc1N1CC[C@@H](C(N)=O)C1 1332229159 SLJAZBHXWDSXRI-LLVKDONJSA-N 309.370 -0.061 30 20 DBED N#C[C@H]1CCCN(C(=O)C(=O)NCCOC[C@H]2CCOC2)C1 1333138203 MAGHHMJDNAESEA-OLZOCXBDSA-N 309.366 -0.082 30 20 DBED C#CCOCCn1nnnc1N1CC[C@@H](C(=O)N2CCCC2)C1 1334942725 GYCDWWMJJWNVRZ-CYBMUJFWSA-N 318.381 -0.228 30 20 DBED C#C[C@H](NC(=O)C(=O)Nc1cnn(CC(=O)NC)c1)C(C)(C)C 1342584170 DYNLWFPBLZRAER-NSHDSACASA-N 319.365 -0.268 30 20 DBED C=CCOCCn1nnnc1N(CC)CCS(C)(=O)=O 1344012108 COGBRRNGNVNSEO-UHFFFAOYSA-N 303.388 -0.253 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N[C@@H]1CC[C@H](C(N)=O)C1 1350851456 DUQMMFFZQGOTFX-NWDGAFQWSA-N 309.366 -0.745 30 20 DBED CN(C)c1ccnc(CNC(=O)C(=O)N2CCO[C@H](C#N)C2)c1 1354888073 LHGIARQEWOJIRV-CYBMUJFWSA-N 317.349 -0.485 30 20 DBED C[C@@H](NC(=O)Cn1cc(C#N)c(O)nc1=O)c1cnn(C)c1 1362129936 ANRXBEAESNWRSW-MRVPVSSYSA-N 302.294 -0.569 30 20 DBED Cc1nonc1CC(=O)Nc1[nH]nc(N2CCOCC2)c1C#N 1364422683 UGBNQCFXRGFQQB-UHFFFAOYSA-N 317.309 -0.009 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N1CC[C@H](C(=O)N(C)C)C1 1365418783 OLPMVPQTZVLVMC-MNOVXSKESA-N 302.400 -0.267 30 20 DBED C=C(Br)CNC[C@@H](O)CNC(=O)c1cnn[nH]1 1374625283 QNWBDEYDNSNTQG-SSDOTTSWSA-N 304.148 -0.606 30 20 DBED CCCS(=O)(=O)CC(=O)N1CC(CNC(=O)[C@H](C)C#N)C1 1374896733 CEHHTMGHYYYSIL-SNVBAGLBSA-N 315.395 -0.455 30 20 DBED COCCn1cc(C(=O)NC[C@H](C)CNC(=O)[C@H](C)C#N)nn1 1375716583 UURGJIOZSJUMQH-GHMZBOCLSA-N 322.369 -0.434 30 20 DBED CCn1ccnc1C(=O)N(C)C[C@H](O)CNC(=O)[C@@H](C)C#N 1384223533 XBJJHRWZPDKZET-WDEREUQCSA-N 307.354 -0.388 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CCN(C(=O)c2c[nH]c(C(N)=O)c2)C1 1408386752 RVCOMJDVHIELOI-NXEZZACHSA-N 317.349 -0.148 30 20 DBED CCCN(CCNC(=O)[C@H](C)C#N)C(=O)CCn1cnnn1 1408885124 IARPIRBKJMAEHB-LLVKDONJSA-N 307.358 -0.422 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1cc(C2CC2)on1 1431571909 WWXOSMYPEJJWAZ-PSASIEDQSA-N 306.322 -0.081 30 20 DBED COCCS(=O)(=O)CCCN1CC(NC(=O)[C@@H](C)C#N)C1 1443468565 ZDFJIEXFBFJZDY-NSHDSACASA-N 317.411 -0.602 30 20 DBED C=C(Cl)CN1CC(O)(CNC(=O)CCN2CCOCC2)C1 1446891400 PYAVIIQVKZNKTJ-UHFFFAOYSA-N 317.817 -0.376 30 20 DBED C[C@H](C#N)C(=O)NC1(C)CCN(CC(=O)N2CCOCC2)CC1 1499973222 GTQSPLTUAPRIHS-CYBMUJFWSA-N 322.409 -0.024 30 20 DBED C=C(C)Cn1c(CCO)nnc1N1CCO[C@@H](C(=O)OC)C1 1515242814 PRVDGJHBAWPXFY-LLVKDONJSA-N 310.354 -0.233 30 20 DBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)CCN 1576252664 RABGVPQXTDHIGA-SNVBAGLBSA-N 310.379 -0.358 30 20 DBED COC(=O)[C@H]1C[C@@H](N(C)c2cnc(-c3nn[nH]n3)c(C#N)n2)C1 1579474624 PNBRSKWNGBSZTF-OCAPTIKFSA-N 314.309 -0.084 30 20 DBED N#C[C@]12CN(C(=O)[C@]34CC[C@H]3CNC4)C[C@H]1CS(=O)(=O)C2 1580056855 GSIUXQURBBZCJT-VTPLQMEGSA-N 309.391 -0.617 30 20 DBED CS(C)(=O)=NC(=O)CNc1cnc(-c2nn[nH]n2)c(C#N)n1 1580172869 PESIMUKZNVSKQO-UHFFFAOYSA-N 321.326 -0.806 30 20 DBED C#CCN(C)CCCNC(=O)Cc1noc(C)c1-c1nn[nH]n1 1588349564 RYPMVTULZVIXBF-UHFFFAOYSA-N 317.353 -0.223 30 20 DBED C=CCOC[C@H](NC(=O)CN1C(=O)NC(C)(C)C1=O)C(=O)O 1588853993 NIHSKTAZDRDPSP-QMMMGPOBSA-N 313.310 -0.911 30 20 DBED C[C@@H]1[C@H](C(=O)O)CCN1C(=O)C(=O)NC1CCN(CC#N)CC1 1594138715 NZHGICUKDULZGQ-ZYHUDNBSSA-N 322.365 -0.588 30 20 DBED N#C[C@@]1(NC(=O)CN2CCC[C@H](C(=O)O)C2=O)CCSC1 1601057176 OHZNDNYDROHAOY-ZANVPECISA-N 311.363 -0.175 30 20 DBED N#Cc1ccccc1C(F)(F)C(=O)NCC(=O)NCC(=O)O 1601124735 WOTJNLRYJSQAFP-UHFFFAOYSA-N 311.244 -0.033 30 20 DBED N#C[C@@H]1CN(C(=O)N[C@@H]2CCCCN(CC(=O)O)C2=O)CCO1 1605582843 FYUAFNMDGPNUHR-GHMZBOCLSA-N 324.337 -0.614 30 20 DBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)CCn1cncn1 1647122497 NVURVSTWDAYPOK-UHFFFAOYSA-N 302.342 -0.064 30 20 DBED N#C[C@H]1CN(C(=O)NCc2cccc(S(N)(=O)=O)c2)CCO1 1649697683 NQKUQGCEOLCXOI-NSHDSACASA-N 324.362 -0.232 30 20 DBED C=C[C@@](C)(CC)C(=O)NCC1(O)CN(C[C@H](O)COC)C1 1733504950 CACDPJQQKCOAIR-JSGCOSHPSA-N 300.399 -0.241 30 20 DBED COCC#CCNC[C@H]1CCCN(C(=O)[C@H](C)NC(C)=O)C1 1752791684 WVDXPHHMRLQOMR-DZGCQCFKSA-N 309.410 -0.011 30 20 DBED N#CCNC(=O)CN1CCCC[C@H]1CNC(=O)[C@@H]1CCCO1 1752813325 BIQBEKVNAKCVBV-STQMWFEESA-N 308.382 -0.224 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H]1[C@@H]2CN([C@H](C)c3nncn3C)C[C@@H]21 1752844397 QAIMOQDAAJTBBO-BJJPWKGXSA-N 317.393 -0.039 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC[C@H]1CNC(=O)c1ccnn1C 1753097389 GFFHFYSNYLDRNX-STQMWFEESA-N 317.393 -0.248 30 20 DBED C=CCN1CC[C@@H](NCCN(C)C(=O)c2[nH]c(O)nc2C)C1=O 1753200794 XOPFMCNUBXNCKM-LLVKDONJSA-N 321.381 -0.128 30 20 DBED C=CCNC(=O)CNCCN(C)C(=O)[C@@H]1CCc2n[nH]cc2C1 1753253984 ITZDJXDXAIKALU-GFCCVEGCSA-N 319.409 -0.135 30 20 DBED C#CCCNCC[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 1753557053 DXKSNIJLFSEDAU-STQMWFEESA-N 320.393 -0.174 30 20 DBED C#CCCCC(=O)NC[C@H]1CN([C@@H]2CCN(C)C2=O)CCO1 1753650756 YZSSKXWINQITJH-UONOGXRCSA-N 307.394 -0.162 30 20 DBED CC(=O)N[C@H](C)C(=O)NCC1(NCC(=O)NCC#N)CCCC1 1753659929 JTBJBCDFPAGRMR-LLVKDONJSA-N 323.397 -0.831 30 20 DBED C#CCNC(=O)CNC[C@@H](C)NC(=O)c1cn2ccccc2n1 1754250797 CDMOCUHRONFFHK-GFCCVEGCSA-N 313.361 -0.208 30 20 DBED N#CCNC(=O)CN1CC[C@H]1CNC(=O)c1csc(O)n1 1754491696 NNQLRVMHPAEKOY-QMMMGPOBSA-N 309.351 -0.707 30 20 DBED C=C(C)CN1CC(O)(CNC(=O)[C@@]23C[C@H]4C[C@@H](C(=O)N2)[C@H]3C4)C1 1754769828 NJOLJJXBHGUMHF-ZBYUQBLASA-N 319.405 -0.360 30 20 DBED C=CCNC(=O)CN1CC(O)(CNC(=O)C2(CCF)CC2)C1 1754770905 DYYXLHLPTRMJBN-UHFFFAOYSA-N 313.373 -0.409 30 20 DBED C=CCCn1cc(C(=O)N[C@]2(CO)CCCN(CCO)C2)nn1 1754859279 SZTXZLLZZXMESS-OAHLLOKOSA-N 323.397 -0.597 30 20 DBED C=CCN1CCOC[C@H]1CNC(=O)CC1CS(=O)(=O)C1 1754969167 SDEHWHNUJBLCAC-GFCCVEGCSA-N 302.396 -0.576 30 20 DBED CC#CCN(C)CCCN(C)C(=O)CNS(=O)(=O)CC 1755038286 SOUJXTJQUTYINT-UHFFFAOYSA-N 303.428 -0.271 30 20 DBED CC(=O)CCCC(=O)NC[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@H]12 1755437058 ZZJJSZAREIVSJZ-ZSOGYDGISA-N 320.393 -0.321 30 20 DBED C=CCOCC(=O)NC[C@@H](C)N(C)C(=O)c1ccc(C(N)=O)[nH]1 1756010451 HLTXUGRWPUCSCU-SNVBAGLBSA-N 322.365 -0.107 30 20 DBED C#CCCCC(=O)N[C@@H](CO)CNC(=O)c1ncccc1O 1756513530 JNQIAAZIMXQNAO-LLVKDONJSA-N 305.334 -0.202 30 20 DBED C#CCN1CCC(C(=O)NC[C@H](CO)NC(=O)[C@H](C)C#N)CC1 1756529203 YXVDSCHXGJSHLO-TZMCWYRMSA-N 320.393 -0.915 30 20 DBED C[C@H]1C[C@@H](NC(=O)C2(NC(N)=O)CC2)CN1C(=O)C#CC1CC1 1756588149 OBGDMFBRLBIZLF-CMPLNLGQSA-N 318.377 -0.294 30 20 DBED C=CCOCC(=O)N1CC[C@H]1CN(C)C(=O)CS(C)(=O)=O 1757279005 SAAUUXCXYGCLEA-NSHDSACASA-N 318.395 -0.707 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)Cn1ccnc1C)CCO2 1783054161 FCVHNFDEHBLGOO-INIZCTEOSA-N 316.361 -0.345 30 20 DBED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ncn(C)n3)[C@H]2C1 1785876937 XDCFZDKGKAUEAI-SRVKXCTJSA-N 317.349 -0.958 30 20 DBED N#CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cnc[nH]1 1796331341 PXDBPTFNOLMEGL-QHBPRCKVSA-N 317.349 -0.545 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)OCC=C)C2 1800450881 QLYPITPPAXZAMQ-GUIRCDHDSA-N 306.362 -0.200 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn(C)c1C)C2 1800450928 MDGFDSRUYGASQU-JJLQDPRZSA-N 316.361 -0.435 30 20 DBED C#CCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)CN)C2 1800992164 QCMXRRUEVYTFEI-AYDFFVQHSA-N 321.421 -0.026 30 20 DBED C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1CCNC(=O)C1)C2 1801601794 XCWFUIWZVYEMNP-FVCCEPFGSA-N 303.362 -0.216 30 20 DBED CC(C)(C#N)C(=O)N1CCCC12CN(C(=O)Cn1cnnn1)C2 1841136767 AEAFKCWUKTVTRJ-UHFFFAOYSA-N 317.353 -0.574 30 20 DBED CC(C)(C)NCC(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1842904467 KFJBAGIERKBYDM-UHFFFAOYSA-N 321.377 -0.334 30 20 DBED N#Cc1cccc(CS(=O)(=O)N(CC(=O)O)CC(=O)O)c1 110969446 PYEVQCPWSOYOBY-UHFFFAOYSA-N 312.303 -0.141 30 20 DBED C=CCN(CC=C)C(=O)CN1CCC[C@@H](C(=O)NCCN)C1 261968108 PPQKDQQQOOHLOK-CQSZACIVSA-N 308.426 -0.026 30 20 DBED N#CCOc1ccccc1C(=O)N1CCN(S(N)(=O)=O)CC1 264725810 YOONPCWGQBGSOE-UHFFFAOYSA-N 324.362 -0.450 30 20 DBED C=CCS(=O)(=O)CCNS(=O)(=O)c1ccc(OC)nc1 282546409 NLHAQXWHYUVZCT-UHFFFAOYSA-N 320.392 -0.031 30 20 DBED COC(=O)[C@@H](NS(=O)(=O)Cc1ccc(C#N)cc1)[C@@H](C)O 289102431 HJVHEHKUYHCPOH-SKDRFNHKSA-N 312.347 -0.100 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@H](SC)C2)C1=O 295627607 WRTOZUPKNVXWSH-VIFPVBQESA-N 311.363 -0.073 30 20 DBED CCC(=O)N1CC[C@H](/N=C(/O)N2CCN3C(O)=NC[C@H]3C2)C1 330028989 PJIGYYPPVALWFR-QWRGUYRKSA-N 309.370 -0.175 30 20 DBED COCC(=O)N1CCN(/C(O)=N/[C@H]2CCn3ccnc3C2)CC1 330201513 XWZPFSRNTKXRKZ-LBPRGKRZSA-N 321.381 -0.098 30 20 DBED CC(C)C/N=C(/O)NC(=O)Cn1ccnc1S(C)(=O)=O 331081557 XSUNDCSHNBRJTF-UHFFFAOYSA-N 302.356 -0.027 30 20 DBED C[C@]1(CNS(=O)(=O)N2CCO[C@@H](C#N)C2)CCCC[C@@H]1O 337070653 OEOOEBUOBAPXMS-RWMBFGLXSA-N 317.411 -0.014 30 20 DBED CCN(CCC#N)S(=O)(=O)N[C@H]1CCCS(=O)(=O)C1 337099700 UQMCDAGOSDVFIL-JTQLQIEISA-N 309.413 -0.366 30 20 DBED CCN(CCC#N)S(=O)(=O)NCCN1CCN(C)CC1 337161793 UXZSFLFPPBRTIR-UHFFFAOYSA-N 303.432 -0.696 30 20 DBED N#Cc1ccsc1NC(=O)C(=O)N1CCN(C(=O)CO)CC1 340149182 MQKOUMJKHZUTGA-UHFFFAOYSA-N 322.346 -0.779 30 20 DBED C=CCn1c(O)nnc1S(=O)(=O)[C@@H](C)C(=O)NCCC 341343334 GVOIVMJAPKWMHJ-QMMMGPOBSA-N 302.356 -0.142 30 20 DBED Cc1nc(SCC(=O)N[C@@H](CO)C(N)=O)c(C#N)c(C)c1C 341745873 JZSYLJGETKORTQ-NSHDSACASA-N 322.390 -0.067 30 20 DBED CCS(=O)(=O)NCCNC(=O)N1CCC(F)(C#N)CC1 344766609 DVRIANUKGPGWLU-UHFFFAOYSA-N 306.363 -0.037 30 20 DBED C[C@@H]1C[C@@H](O)CN1C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N 351050296 CRVTXCXGGMVAFS-MWLCHTKSSA-N 319.365 0.430 30 20 DBED N#CCNC(=O)CNC(=O)N[C@@H]1CCN(c2ncccc2F)C1 376387674 WYJJXWDHBJOASK-SNVBAGLBSA-N 320.328 -0.262 30 20 DBED COC(=O)[C@H]1C[C@H](O)CN1CC(=O)NCc1cccc(C#N)c1 376997747 PKYWIJHUHKJMGA-UONOGXRCSA-N 317.345 -0.217 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2C[C@@H](C)N[C@H](C)C2)C1=O 423490270 HQCPCBIJZBAFHJ-UPJWGTAASA-N 322.409 -0.560 30 20 DBED N#Cc1ccc(OC2CN(C(=O)C(=O)N3CC[C@@H](N)C3)C2)cc1 423567758 RACVRGALJAEGLG-GFCCVEGCSA-N 314.345 -0.293 30 20 DBED CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccn(CCC#N)n1 444572555 NYKCSUGQWYYPGZ-GFCCVEGCSA-N 318.381 0.336 30 20 DBED CC(C)(CC#N)CS(=O)(=O)NC[C@H]1CN2CCN1CC2 451342822 OJILDBXVVKMFPP-LBPRGKRZSA-N 300.428 -0.155 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC(C)(C)OC[C@@H]2C)C1=O 489500899 VWMDFQLMWCYAJV-JTQLQIEISA-N 323.349 -0.011 30 20 DBED C#CCNS(=O)(=O)c1ccc(C(=O)NOCCOC)cc1 491428363 OPWILQKDUNGKIJ-UHFFFAOYSA-N 312.347 -0.094 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCCC[C@@H]2CCCN2)C1=O 515636043 ACJDMKSTFGWSBJ-NSHDSACASA-N 322.365 -0.388 30 20 DBED C=CCNC(=O)CNC(=O)N[C@@H]1CCC[C@H](S(C)(=O)=O)C1 537528740 RKNNHAVXHXFZKX-MNOVXSKESA-N 317.411 -0.056 30 20 DBED N#CC1(CNC(=O)c2nc(N)nc(N3CCOCC3)n2)CC1 563266981 CVXBOSQGJBFFHB-UHFFFAOYSA-N 303.326 -0.676 30 20 DBED N#Cc1cncc(N2CCN(C(=O)C(=O)N3CCCC3)CC2)n1 566150359 YOKDCUDKZDTAJX-UHFFFAOYSA-N 314.349 -0.381 30 20 DBED N#Cc1ccc(S(=O)(=O)N2CCN([C@H]3CCNC3)CC2)o1 566503826 PTYUMMRRPREIQR-NSHDSACASA-N 310.379 -0.181 30 20 DBED N#Cc1ccc(S(=O)(=O)CCNCC(=O)NCCO)cc1 571562586 PHRRJKZSIDKHRW-UHFFFAOYSA-N 311.363 -0.970 30 20 DBED N#CCN1CCC(NC(=O)C(=O)N2CCCC[C@H]2CCO)CC1 588127541 KXESYWNDKWDDPI-AWEZNQCLSA-N 322.409 -0.146 30 20 DBED N#CC[C@]1(O)CCN(C(=O)[C@@H]2COCCN2CC(F)F)C1 592850283 REGWAUSQWUOPCZ-GWCFXTLKSA-N 303.309 -0.171 30 20 DBED CSCC[C@H](NC(=O)Nc1ccn(CCC#N)n1)C(N)=O 599740868 MZUKTYGFJPNVDK-VIFPVBQESA-N 310.383 0.525 30 20 DBED N#CCCN1CCN(C(=O)C(=O)N2CCCC[C@@H]2CN)CC1 601584959 UMNRROSKRIDYLF-CYBMUJFWSA-N 307.398 -0.616 30 20 DBED N#CCCN1CCN(C(=O)C(=O)N[C@H]2CCCOCC2)CC1 602251974 ONPWWNHNESDJJZ-ZDUSSCGKSA-N 308.382 -0.270 30 20 DBED Cn1c(N[C@@H](CO)CC(F)(F)F)c(C#N)c(=O)n(C)c1=O 611133135 SCQPRKKSMAHMPR-ZCFIWIBFSA-N 306.244 -0.319 30 20 DBED C=CCn1cc(C(=O)N(C)CC(=O)N2CCN(C)CC2)nn1 636316737 UTUDKIGEOHMAKG-UHFFFAOYSA-N 306.370 -0.690 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)c2ccc(C#C)cn2)CC1 733150341 ILSAHVIXYIRDHS-UHFFFAOYSA-N 324.384 -0.040 30 20 DBED N#CCN(CC(=O)O)C(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O 739076874 DPXHXHRERSTWSC-QWRGUYRKSA-N 321.333 -0.012 30 20 DBED N#CCc1ccccc1CC(=O)OCC(=O)N1CCNC(=O)C1 777158736 OAGRHQPSHVHMDP-UHFFFAOYSA-N 315.329 -0.203 30 20 DBED N#CC1(CS(=O)(=O)NC(=O)CN2CCOCC2)CCC1 778735706 QNJUQOBFRLKDTK-UHFFFAOYSA-N 301.368 -0.542 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H]2CCC=CO2)C1=O 781496786 LXVKMRZFFJRQTD-SNVBAGLBSA-N 307.306 -0.228 30 20 DBED C#CCOCCNC(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 784249026 MEIZMLCEJXIXHU-NSHDSACASA-N 303.384 -0.641 30 20 DBED COC[C@@H](NC(=O)c1ccn(-c2cccc(C#N)c2)n1)C(N)=O 798487830 YPQJWKUEHKIANP-CYBMUJFWSA-N 313.317 -0.026 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)NCCS(=O)(=O)CC1CC1 800921798 FULCBQVUQFAMHV-SNVBAGLBSA-N 323.440 -0.120 30 20 DBED CC(=NNC(=S)NCC(N)=O)c1cccc(-n2ccnn2)c1 807973156 VYLKZFONLQWBKG-UHFFFAOYSA-N 317.378 -0.059 30 20 DBED COC(=O)C[C@H](C)C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[nH]1 821657722 USQGMQUVPHSTOJ-YFKPBYRVSA-N 304.270 -0.401 30 20 DBED C#C[C@H](NC(=O)[C@H]1CCCN(S(N)(=O)=O)C1)[C@H]1CCCO1 832419394 XXFHOABMZXXZPP-SDDRHHMPSA-N 315.395 -0.801 30 20 DBED Cc1nc2cc(O)nn2c(C)c1CC(=O)N[C@@H]1CNC[C@@H]1C#N 834483983 BZPNJRZWIHTMFV-CMPLNLGQSA-N 314.349 -0.178 30 20 DBED C=CCn1cc(C(=O)N[C@@H](Cn2ccnc2)C(=O)OC)nn1 844137884 DDKHLMLFAKSNMM-NSHDSACASA-N 304.310 -0.368 30 20 DBED C/N=C(/NCCCc1nc(C)no1)NCCN1CCOCC1 849002193 SZGWVENGTCUDQC-UHFFFAOYSA-N 310.402 -0.192 30 20 DBED C#CCOCCN1CCN(S(=O)(=O)N(CC)CC)CC1 851718758 ALCZWRRFKWMARQ-UHFFFAOYSA-N 303.428 -0.160 30 20 DBED C#CC1(O)CN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3CC)C1 908227446 AHTVXOOFKFMRNV-UHFFFAOYSA-N 322.342 -0.017 30 20 DBED C[C@H](NS(=O)(=O)CC1(C#N)CC1)[C@H]1CN(C)CCN1C 919992139 YXHVDMYGANERSG-NWDGAFQWSA-N 300.428 -0.156 30 20 DBED CCOC(=O)[C@@H]1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)C1 921726012 PTMWKDMTQYUJHD-MNOVXSKESA-N 317.367 -0.659 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CN1CCOCC1 936919489 HBAGMTSQMDSBDQ-AGIUHOORSA-N 306.366 -0.710 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@H](NC(=O)[C@H]2CN(C)C(=O)N2)C1 938411343 OKVINGQKMVRYFP-WDEREUQCSA-N 308.382 -0.061 30 20 DBED C[C@H]1C[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)CCN1CC#N 947925391 OZMLSADMMZRJAH-QWRGUYRKSA-N 307.354 -0.627 30 20 DBED C#CCCN1CC[C@@H](NC(=O)Cn2c(O)nnc2O)C[C@@H]1C 947979081 AFDZHUSYDADFPW-WDEREUQCSA-N 307.354 -0.318 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CN2C(=O)CNC2=O)C[C@@H]1C 948012936 RRZHTKMIKDDJRW-NWDGAFQWSA-N 306.366 -0.469 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(NC(=O)C[C@H]2CCC(=O)N2)CC1 948099172 QSXFXSPBNDYNLQ-CMPLNLGQSA-N 306.366 -0.078 30 20 DBED Cc1c(C(=O)N2CCOC3(CCN(CC#N)CC3)C2)nnn1C 949057340 SHTVVNZTOUISNS-UHFFFAOYSA-N 318.381 -0.046 30 20 DBED CCN1CCO[C@@H](C(=O)N(C)C2CN(C(=O)[C@@H](C)C#N)C2)C1 954426769 YTIACTZSOVPLIT-WCQYABFASA-N 308.382 -0.464 30 20 DBED COc1cnc(C(=O)NC[C@H]2CN(CC#N)C[C@@H]2O)c(F)c1 958127512 ZJLYMYKSSYZUAG-CABZTGNLSA-N 308.313 -0.225 30 20 DBED CC#CCN1C[C@H]2[C@H](NC(=O)CN3CCCS3(=O)=O)[C@H]2C1 960178914 CEJYFBYFLHEKCP-IMRBUKKESA-N 311.407 -0.908 30 20 DBED O=C1NC[C@H](C(=O)NC2[C@H]3CN(CC#Cc4ccccc4)C[C@H]23)N1 961627309 JSVDAEFBHFTSDD-SOUVJXGZSA-N 324.384 -0.234 30 20 DBED N#Cc1ccc(F)c(CN2C[C@H]3C(NC(=O)C(N)=O)[C@@H]3C2)c1 961640947 QRQRQFBRJQTKOY-GHMZBOCLSA-N 302.309 -0.271 30 20 DBED CN(C(=O)c1cnc(O)n(C)c1=O)C1CCC(NCC#N)CC1 963779750 WFZUBRMNIOBUBN-UHFFFAOYSA-N 319.365 -0.018 30 20 DBED CO[C@H](C)C(=O)N1CCOC[C@@H]1CNC(=O)c1ccc(C#N)[nH]1 964159795 DYMGUJGMTCPJCE-PWSUYJOCSA-N 320.349 -0.122 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1NC(=O)c1cnn(C)c1N 966399424 LLCLNKIYKZDZLE-MFKMUULPSA-N 315.377 -0.008 30 20 DBED C=C(C)CN[C@@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)C1 970474646 CEJORMYZNVXBGL-SNVBAGLBSA-N 302.338 -0.202 30 20 DBED C#CCN(C)[C@@H]1CCN(C(=O)[C@H]2CCc3nnnn3CC2)C1 972384372 IKZIVNQTCYFYJL-QWHCGFSZSA-N 302.382 -0.209 30 20 DBED C#CCCN1CCO[C@@]2(CCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)C1 972554597 QQLWVQXTKDMHEH-WWGRRREGSA-N 305.378 -0.566 30 20 DBED COc1cc(C(=O)N[C@H]2[C@@H]3CN(C(=O)[C@H](C)C#N)C[C@@H]32)ncn1 976559547 FXROPTMPACYZGH-DNJQJEMRSA-N 315.333 -0.169 30 20 DBED N#CCN1C[C@@H]2C(CNC(=O)c3coc(S(N)(=O)=O)c3)[C@H]2C1 978364919 RVZDRZAEFYSRKU-GHMZBOCLSA-N 324.362 -0.642 30 20 DBED C=CCN[C@H]1CCC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 981097184 AHBHNCXDXYFCFH-WDEREUQCSA-N 306.370 -0.420 30 20 DBED CC(=O)NCc1cc(O)nc(CNC(=O)c2ccc(C#N)[nH]2)n1 984141706 VGOWQIHRSLQUCL-UHFFFAOYSA-N 314.305 -0.052 30 20 DBED C#CCN[C@H]1C[C@H](C)N(C(=O)c2cn(CC(=O)N(C)C)nn2)C1 989831178 IHKWPPZIIZHLGE-RYUDHWBXSA-N 318.381 -0.808 30 20 DBED C[C@@H](C(=O)NC1CN(C(=O)c2ccc(C#N)[nH]2)C1)n1cncn1 990915880 SRFUMHOVYVJGAY-VIFPVBQESA-N 313.321 -0.320 30 20 DBED C#CCN[C@@H]1CCC[C@H]2CN(C(=O)CN3C(=O)CCC3=O)C[C@H]21 992919038 UEJNWRICZGFNST-BFHYXJOUSA-N 317.389 -0.015 30 20 DBED C[C@H](C#N)C(=O)N1CC(NC(=O)[C@@H]2CCc3nccn3C2)C1 994592628 KKSLQSJHXIVRAZ-GHMZBOCLSA-N 301.350 -0.068 30 20 DBED C[C@@H]1C[C@H](C(=O)NC2CN(C(=O)C#CC3CC3)C2)CC(=O)N1 995010879 DTSRAOUTBACDCK-PWSUYJOCSA-N 303.362 -0.359 30 20 DBED C=C[C@@](C)(CC)C(=O)N1CC(NC(=O)CN2CC(=O)NC2=O)C1 997769787 MJNVVALTNRDCLZ-HNNXBMFYSA-N 322.365 -0.533 30 20 DBED C=C1CC(C)(C(=O)NC2CN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)C1 999261203 CERGCEBAWTUZQT-JTQLQIEISA-N 320.349 -0.732 30 20 DBED C[C@H](C#N)C(=O)N1CC(CNC(=O)c2cc(C(N)=O)co2)C1 1004386047 JMTATVAYKZHSIX-MRVPVSSYSA-N 304.306 -0.274 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CCN(CC(=O)NC3CC3)C2)[nH]1 1010647411 YVBBONTUQPISIH-GFCCVEGCSA-N 301.350 -0.031 30 20 DBED N#Cc1c[nH]c(C(=O)N2C[C@@H]3C(NC(=O)Cn4ccnc4)[C@H]3C2)c1 1013338723 UJSQLVJMSSBJHV-RYUDHWBXSA-N 324.344 -0.030 30 20 DBED C=CCN1CCC[C@H](CNC(=O)C2CC3(C2)NC(=O)NC3=O)C1 1023641432 YVQOJMCVTOMRJM-OPGSHWCFSA-N 320.393 -0.011 30 20 DBED C#CCN[C@@H]1CC[C@@H]2CN(C(=O)c3cn(CCOC)nn3)C[C@H]21 1026263483 IRKBYZQRJUBUMJ-MGPQQGTHSA-N 317.393 -0.002 30 20 DBED C#CCN[C@@H]1CC[C@@H]2CN(C(=O)Cn3ccc(O)nc3=O)C[C@@H]21 1026306621 ODCDQTFAKYKJHF-FRRDWIJNSA-N 316.361 -0.591 30 20 DBED C=C(C)CN[C@@H]1CC[C@H]2CN(C(=O)CN3C(=O)CNC3=O)C[C@H]21 1026415377 GGXOWHQCBLPMFN-YNEHKIRRSA-N 320.393 -0.059 30 20 DBED C#CCN1CCC[C@@H]1CNC(=O)c1cc(=O)n2[nH]cnc2n1 1028260488 KNAGCCLWNPNMSF-SNVBAGLBSA-N 300.322 -0.755 30 20 DBED C#CCCN1CC(CNC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 1031670004 ADMXZHYQZYUJFE-CYBMUJFWSA-N 315.377 -0.166 30 20 DBED C#CCN1CC[C@@H](N(C)C(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 1033284425 BAEFQOSYSMCXCB-YPMHNXCESA-N 301.350 -0.469 30 20 DBED C#CCCN1CCO[C@@H](CNC(=O)c2cn3c(n2)COCC3)C1 1035421885 XHJAKVIVCXSCRZ-ZDUSSCGKSA-N 318.377 -0.133 30 20 DBED C#CCCN1CCO[C@@H](CNC(=O)[C@H]2COCCN2CC)C1 1035423006 KJLDCBAOLOKWSC-LSDHHAIUSA-N 309.410 -0.453 30 20 DBED C#CCN[C@H]1CCN(C(=O)CN2CCN(C)C(=O)C2)C[C@H]1C 1036079106 GKLQPMVSHSQXOQ-KGLIPLIRSA-N 306.410 -0.780 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCN1CC(=O)N(C)C 1038368592 QSJHHLBVRFGJSK-KBPBESRZSA-N 306.410 -0.637 30 20 DBED N#CCNC1C[C@@H]2CCC[C@H](C1)N2C(=O)C[C@@H]1NC(=O)NC1=O 1039286417 SFVXQZAYPCMFBQ-YATPEIPISA-N 319.365 -0.390 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@]1(O)CCN(C(=O)CC)C1 1040185814 XGNUKPACBQQLPW-XJKSGUPXSA-N 307.394 -0.426 30 20 DBED C=CC(C)(C)C(=O)NC[C@]1(O)CCN(C(=O)[C@H]2CCNC2=O)C1 1040490442 ISERRRAWHXBHRY-MEDUHNTESA-N 323.393 -0.586 30 20 DBED Cc1cc(C(=O)N2CC[C@@](O)(CNC(=O)[C@H](C)C#N)C2)no1 1040764300 VTRHPVKQDFQRQC-YMTOWFKASA-N 306.322 -0.164 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)[C@@]34COC[C@@H]3C4)C2)nn1 1041402210 VECXMHRPWAZZNE-NFOTXUCKSA-N 315.333 -0.950 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)[C@H](C)OCC)C1 1041635377 BVOBYXMSUJAKKT-NWDGAFQWSA-N 312.366 -0.861 30 20 DBED C#CCN1CC[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)C[C@H]21 1042346434 UFWQWAGRCNLGPV-VXGBXAGGSA-N 304.350 -0.906 30 20 DBED C=CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)C2=CCOCC2)C1 1042732675 VFDKVMXBULJVAT-GFCCVEGCSA-N 324.377 -0.386 30 20 DBED Cc1cnccc1C(=O)NCC1(O)CN(C(=O)[C@H](C)C#N)C1 1042926361 FNJCTJQZHDTQQX-SNVBAGLBSA-N 302.334 -0.147 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)CC2(O)CCC2)C1 1042949550 PSFIKAGJVKUHTA-LBPRGKRZSA-N 324.377 -0.981 30 20 DBED CN(C)[C@H](C(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1)C1CC1 1042962997 CYMZNGKXZKEXKJ-HNNXBMFYSA-N 319.405 -0.571 30 20 DBED CN(C)[C@@H](C(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1)C1CC1 1042962999 CYMZNGKXZKEXKJ-OAHLLOKOSA-N 319.405 -0.571 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)c2cncn2C)C1 1043750273 KWBGPVNUUZNNEI-UHFFFAOYSA-N 304.350 -0.617 30 20 DBED O=C(C#CC1CC1)N1CC(O)(CNC(=O)[C@@]2(F)CCOC2)C1 1045137434 GKHCRHKTNOGLRM-OAHLLOKOSA-N 310.325 -0.782 30 20 DBED O=C(Cc1ccco1)NCC1(O)CN(C(=O)C#CC2CC2)C1 1045202356 SYQOFFUQCPROEL-UHFFFAOYSA-N 302.330 -0.075 30 20 DBED CO[C@H](CC(C)C)C(=O)N1CC(O)(CNC(=O)[C@H](C)C#N)C1 1045550961 CJTWSOPPQUAUTH-VXGBXAGGSA-N 311.382 -0.103 30 20 DBED N#CCN1CCC(F)(F)[C@H](CNC(=O)[C@H]2COC(=O)N2)C1 1046935432 NNFSOJFEZNDDSU-RKDXNWHRSA-N 302.281 -0.308 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@]2(C)CCN(C(C)=O)C2)C1 1047589345 FLJJARLMJGUPEU-DZKIICNBSA-N 307.394 -0.618 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCN2C)C1 1048562752 SHBXLYFNXSFUNB-KKUMJFAQSA-N 321.421 -0.086 30 20 DBED C=C(C)CCC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CNC(=O)N2)C[C@@H]1O 1048941662 YVBOXWSUYPCYCD-SRVKXCTJSA-N 324.381 -0.946 30 20 DBED C#CCCCCCC(=O)N(C)[C@H]1CN(C(=O)C(N)=O)C[C@@H]1O 1049175780 APWAXZXXWPGQKR-RYUDHWBXSA-N 309.366 -0.915 30 20 DBED CC#CCN1CCOC[C@H]1CNC(=O)[C@H]1CC(=O)N(CC)C1 1050945562 RDQDWIQNICKYNC-UONOGXRCSA-N 307.394 -0.305 30 20 DBED CC#CCN1CCOC[C@H]1CNC(=O)c1cnc2[nH]nnc2c1 1050954690 DDWWJFBDUUXLGL-GFCCVEGCSA-N 314.349 -0.193 30 20 DBED N#Cc1nccnc1N1CC[C@@H](NC(=O)c2cnon2)[C@@H](O)C1 1051716895 BYFHPPMOCXACDF-KCJUWKMLSA-N 315.293 -0.899 30 20 DBED C[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@@H]1CNC(=O)CNC(N)=O 1052558482 CUZQUVRDNNUVOA-NEPJUHHUSA-N 322.409 -0.085 30 20 DBED C=C(C)CN1CC2(C1)CN(C(=O)[C@@H]1CN(C)C(=O)N1)CCO2 1053374694 KJCYSQJEIGLKAH-LBPRGKRZSA-N 308.382 -0.501 30 20 DBED Cc1nn(C)cc1CC(=O)N[C@@H]1COC2(C1)CN(CC#N)C2 1053830715 JNUUNJIQIOIYEZ-ZDUSSCGKSA-N 303.366 -0.246 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)[C@@H]3CCCS3(=O)=O)CO2)C1 1054012657 FVKCVZDADAWEIK-RYUDHWBXSA-N 312.391 -0.844 30 20 DBED C=C(Cl)CN[C@@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@H]1C 1054968962 NACAPJNAQSBSBE-ZYHUDNBSSA-N 314.817 -0.393 30 20 DBED N#Cc1ccc(N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)Cn2nccn2)nn1 1055114575 MEUGXUJPSXBTHO-AGIUHOORSA-N 324.348 -0.134 30 20 DBED C=CCOCC(=O)N1CCC[C@@](CO)(NC(=O)COC)C1 1055705023 FDWKDKIZMIAGQL-CQSZACIVSA-N 300.355 -0.695 30 20 DBED CNC(=O)CC(=O)N[C@]1(CO)CCCN(C(=O)C#CC(C)C)C1 1055903275 VTWIPRDSMNYERL-MRXNPFEDSA-N 323.393 -0.748 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@](CO)(NC(=O)CCCC(N)=O)C1 1055996543 GFPKCACBBPXDNK-ABAIWWIYSA-N 324.381 -0.729 30 20 DBED N#Cc1ccc(N2C[C@H]3C(NC(=O)[C@@H]4COCCO4)[C@@H]3C2)cn1 1056135185 MXVHSPRWEBUEDF-MCIONIFRSA-N 314.345 -0.081 30 20 DBED CN1CCC[C@H]1C(=O)N[C@H]1[C@@H]2CN(c3ccnc(C#N)n3)C[C@@H]21 1056148374 BNTQODPSDZBXTF-OZTPJHRESA-N 312.377 -0.007 30 20 DBED C#CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)[C@@H](C)COC 1057191947 IWERGAUQEFQVBA-STQMWFEESA-N 314.382 -0.756 30 20 DBED Cc1cc(CC(=O)N(CCO)CCNC(=O)[C@@H](C)C#N)n(C)n1 1058082859 JECRDBQGDREEIP-NSHDSACASA-N 321.381 -0.632 30 20 DBED N#Cc1nccc(N2CCC[C@H](NC(=O)Cn3ncnn3)C2)n1 1058197090 OABTXNPNXZMGRG-JTQLQIEISA-N 313.325 -0.880 30 20 DBED C[C@@]1(C(=O)N[C@@H]2CCN(c3nccnc3C#N)C2)CNC(=O)C1 1058493780 CNHYJHUCYOBFIR-BMIGLBTASA-N 314.349 -0.431 30 20 DBED Cc1cn(C)nc1C(=O)NCCN(CCO)C(=O)[C@H](C)C#N 1058652723 CULNURTUYQOOSL-SNVBAGLBSA-N 307.354 -0.561 30 20 DBED Cc1nsc(N2C[C@@H]3CC[C@H](C2)N3C(=O)C(N)=O)c1C#N 1058795773 GKAMHYHIJGZUER-DTORHVGOSA-N 305.363 -0.012 30 20 DBED Cc1ccc(C(=O)N(CCO)CCNC(=O)[C@H](C)C#N)c(O)n1 1058945986 KRSTXXXVXYISTC-SNVBAGLBSA-N 320.349 -0.194 30 20 DBED C#CCCCC(=O)N1CC[C@@H](CCNC(=O)Cn2ncnn2)C1 1059549818 SIDDJHXETYTVOA-CYBMUJFWSA-N 318.381 -0.169 30 20 DBED N#Cc1nc(=N[C@H]2C[C@@H](NC(=O)Cc3cncnc3)C2)cc[nH]1 1059621874 QQTCZBMXKZNTMB-TXEJJXNPSA-N 309.333 -0.138 30 20 DBED CC(=O)N(C)CC(=O)N1CCOC[C@H]1CNC(=O)C#CC(C)C 1061565970 CMZCATRAFKEZSX-CQSZACIVSA-N 323.393 -0.532 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H]1COCCN1C(=O)CCOC 1061584801 MZBQMWPJWGNGBY-STQMWFEESA-N 312.366 -0.595 30 20 DBED N#Cc1ccc(N2CC[C@H](CNC(=O)[C@H]3COC(=O)N3)C2)nn1 1061591211 GJCGYFDCEXDSFG-MWLCHTKSSA-N 316.321 -0.601 30 20 DBED C=CCO[C@@H](C)C(=O)NC[C@H]1COCCN1C(=O)c1cc[nH]n1 1061667422 FIHKWKAEGTUMMT-RYUDHWBXSA-N 322.365 -0.042 30 20 DBED N#Cc1cncc(N2CC[C@H](CNC(=O)[C@@H]3CCNC3=O)C2)n1 1061694497 JRCPICJTKNOHBZ-ZYHUDNBSSA-N 314.349 -0.573 30 20 DBED CC(C)C#CC(=O)N1CCOC[C@H]1CNC(=O)Cc1ncc[nH]1 1061819249 YERHQEQCKAEROE-CYBMUJFWSA-N 318.377 -0.045 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H]1CCCCN1C(=O)c1nc[nH]n1 1062304041 WHJJAVPEZXJZMW-VXGBXAGGSA-N 319.365 -0.046 30 20 DBED C[C@H](NC(N)=O)C(=O)NC[C@H]1CCCCN1C(=O)[C@H](C)C#N 1062333424 QOJSJJSLZDWLAC-OUAUKWLOSA-N 309.370 -0.300 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)C[C@H]2CCC(=O)N2)CCC1 1063606449 JIXNBGLVTBVWPK-GHMZBOCLSA-N 306.366 -0.030 30 20 DBED C[C@@H](C(=O)NC1(CNC(=O)[C@H](C)C#N)CCC1)S(C)(=O)=O 1064309847 CFJKZOXSXDKTDB-ZJUUUORDSA-N 315.395 -0.266 30 20 DBED C=CCOCC(=O)N1CCO[C@H](CNC(=O)C[C@@H](C)OC)C1 1064975709 BNHUSKFIVFUDAW-CHWSQXEVSA-N 314.382 -0.042 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCO[C@@H](CNC(=O)c2ncc[nH]2)C1 1065096872 LPHSHZKFJKIGOW-NHYWBVRUSA-N 322.365 -0.306 30 20 DBED O=C(Cc1ccon1)NC[C@@H]1CN(C(=O)C#CC2CC2)CCO1 1065135037 QVEQGGRFLLBDCR-CQSZACIVSA-N 317.345 -0.026 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCO[C@H](CNC(=O)C(F)F)C1 1065155551 YHJNDUVEIYMJKC-VHSXEESVSA-N 304.293 -0.367 30 20 DBED N#Cc1cnc(N2C[C@H]3CN(C(=O)Cn4nccn4)C[C@H]3C2)cn1 1066031753 AMJVSLVFCCWJKX-TXEJJXNPSA-N 324.348 -0.465 30 20 DBED N#Cc1cncc(NCC[C@H]2CCN(C(=O)CC(N)=O)C2)n1 1066289948 KQFBWRDOUGWYOA-JTQLQIEISA-N 302.338 -0.126 30 20 DBED C[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@@H]1Nc1cncc(C#N)n1 1067176585 KOLYSTKBZLPLJT-SCZZXKLOSA-N 313.325 -0.556 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)N1CC2(C[C@@H](NC(C)=O)CO2)C1 1068639937 HGPBQZZXGHFXLQ-KGLIPLIRSA-N 323.393 -0.037 30 20 DBED COCC(=O)N[C@@H]1COC2(C1)CN(C(=O)CSCC#N)C2 1068653082 YLOGRTFRIFPZLG-JTQLQIEISA-N 313.379 -0.624 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1COC2(C1)CN(C(=O)Cn1cccn1)C2 1069002894 IPILPSIVPROHHY-NWDGAFQWSA-N 317.349 -0.471 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1COC2(C1)CN(C(=O)c1cncn1C)C2 1069003966 QVAOKULUXNVGAU-WDEREUQCSA-N 317.349 -0.321 30 20 DBED CN(C(=O)Cn1cnnn1)C1CC(Nc2cncc(C#N)n2)C1 1069710503 YPZYNAJKXDHOFI-UHFFFAOYSA-N 313.325 -0.564 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@]2(CCN(C(=O)CNC(N)=O)C2)C1 1069775487 BHFFCFDRXPBPDY-IAQYHMDHSA-N 321.381 -0.345 30 20 DBED N#CCN1CCOC[C@H]1c1n[nH]c(CNC(=O)c2ccon2)n1 1070582032 RTYUZDPNFWNYAM-JTQLQIEISA-N 317.309 -0.380 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)c2cnc(C)cn2)CC1 1070934881 QZYWWVRITYVJOE-UHFFFAOYSA-N 315.377 -0.318 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)c2n[nH]cc2C)CC1 1070961979 AYDOWLMGAYBDEP-UHFFFAOYSA-N 303.366 -0.385 30 20 DBED Cn1ncc(C(=O)N2CCC([C@@H]3OCC[C@H]3NCC#N)CC2)n1 1071094399 FTXOKGIVDJVMEE-OCCSQVGLSA-N 318.381 -0.062 30 20 DBED C=CCOCC(=O)N[C@@H]1CCCN(C(=O)Cn2cncn2)C1 1071374759 GVYABQPZUCIVTA-GFCCVEGCSA-N 307.354 -0.412 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)CC(C)(C)O)C1 1071936511 QDFWAGZJVDHMHO-NEPJUHHUSA-N 323.393 -0.750 30 20 DBED C#CCCN1C[C@H](NC(=O)CN2CCC(=O)NC2=O)CC[C@H]1C 1071969933 CNTMWMNMGSBJQV-CHWSQXEVSA-N 320.393 -0.079 30 20 DBED CN1C(=O)CCC[C@H]1C(=O)NC[C@H]1CN(CC#N)CCCO1 1073873647 GIDWGGGQAFVXRD-STQMWFEESA-N 308.382 -0.272 30 20 DBED COC[C@H](C)C(=O)N1CCC(O)(CNC(=O)[C@H](C)C#N)CC1 1074514675 WTPQHRPFGCRZIP-NEPJUHHUSA-N 311.382 -0.102 30 20 DBED C#Cc1ccc(C(=O)N[C@@H](C)CCNC(=O)CNC(N)=O)cc1 1075547962 HRPYHEHRWJWGGP-NSHDSACASA-N 316.361 -0.039 30 20 DBED C#CCN1C[C@@H]2CCN(C(=O)c3cnc(O)n(C)c3=O)[C@@H]2C1 1076121209 WRMXWYVRMISKGQ-CMPLNLGQSA-N 302.334 -0.735 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)[C@@H](C)OCC#C 1076217982 QSSCSAYPNLLJDK-QWHCGFSZSA-N 321.377 -0.825 30 20 DBED CC(C)c1nnnn1CC(=O)N[C@@H](C)CCNC(=O)[C@H](C)C#N 1078133699 SOXBVIBFOJZOGW-MNOVXSKESA-N 321.385 -0.033 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)c2cccc(NC(N)=O)c2)C1 1078157206 SLONBRRTOFBOLJ-ZIAGYGMSSA-N 316.361 -0.025 30 20 DBED C#CCNC(=O)CC(=O)N1CC(N(CC)C(=O)C#CC(C)C)C1 1079724483 OSXHGCACQXDEJI-UHFFFAOYSA-N 317.389 -0.155 30 20 DBED C#CCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)CN(C)C(C)=O)C1 1079770472 FBYXVNYLIQWSIJ-LBPRGKRZSA-N 323.393 -0.438 30 20 DBED C#CCN1C[C@@H](NC(=O)c2ccn(CCN(C)C)n2)[C@H](OC)C1 1081686331 PZNKCCLJJONMJL-HUUCEWRRSA-N 319.409 -0.493 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2cc(CN3CCCC3)on2)C1 1083782855 OUPLSHABDZWTTO-KGLIPLIRSA-N 319.365 -0.431 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)C[C@H]2CCCCC(=O)N2)C1 1083998616 FZDMYUOCKZCUAK-MCIONIFRSA-N 307.394 -0.380 30 20 DBED C#CCN[C@@H]1CCCC[C@H]1NC(=O)Cn1nc(C)n(C)c1=O 1085410724 JSMMQPICMJPWKH-CHWSQXEVSA-N 305.382 -0.460 30 20 DBED C#CCN1CC[C@H](NC(=O)Cn2ccc(O)nc2=O)[C@H]1CC 1087644770 OYQCXDFFRAWRHI-NWDGAFQWSA-N 304.350 -0.449 30 20 DBED C[C@H]1[C@@H](Nc2ccc(C#N)nn2)CCN1C(=O)CCNC(N)=O 1090218603 YFSXGMZRNJJDSE-ONGXEEELSA-N 317.353 -0.192 30 20 DBED CO[C@H](C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1O)C1CC1 1090412565 BHBZJXJLCVWWSL-GYSYKLTISA-N 317.349 -0.561 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2cn(C)nc2OC)[C@@H](O)C1 1090490689 SVPQZPXBZPSKKY-OLZOCXBDSA-N 306.366 -0.383 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2c(C)ncnc2O)[C@@H](O)C1 1090516494 XYAFBNLVTOTXKL-NEPJUHHUSA-N 304.350 -0.321 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2cncc(OC)n2)[C@@H](O)C1 1090623803 KBBUSMCEDAJLNS-YPMHNXCESA-N 304.350 -0.327 30 20 DBED Cn1nc2c(c1C(=O)N[C@H]1CCN(CC#N)C[C@@H]1O)CCC2 1090724215 GYZOVRBAFMHICJ-STQMWFEESA-N 303.366 -0.403 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2c(OC)ccnc2O)[C@@H](O)C1 1090731877 XLZIZRRAKHUOCS-RYUDHWBXSA-N 319.361 -0.016 30 20 DBED C#CCN[C@@H]1CN(C(=O)C(N)=O)C[C@H]1c1ccc(OC)cc1 1090879527 NPSXKZCIJMPQCG-UONOGXRCSA-N 301.346 -0.302 30 20 DBED CC(=O)NCC(=O)N1C[C@@H](Nc2nccnc2C#N)[C@H](C)C1 1090951335 FTTDQFHYAXMHAI-BXKDBHETSA-N 302.338 -0.257 30 20 DBED CCOCCC(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1091089257 WXNIWDQDSWIYTA-NEPJUHHUSA-N 305.338 -0.559 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(c2ncncc2Cl)C[C@@H]1O 1091149634 BSDULRWCDWHFCJ-NEPJUHHUSA-N 324.768 -0.164 30 20 DBED C#CCNC(=O)CC(=O)NCCNc1cc(C)nc2ncnn12 1093558346 PGCSWMKHECLZOF-UHFFFAOYSA-N 315.337 -0.900 30 20 DBED CCN1CCO[C@@H](C(=O)NCCN=c2cc[nH]cc2C#N)C1 1093654769 OAXUIJRHEJMZOQ-CQSZACIVSA-N 303.366 -0.376 30 20 DBED N#Cc1c[nH]ccc1=NCCNC(=O)CCN1CCOCC1 1093732200 GCZTUWWMYAPKSK-UHFFFAOYSA-N 303.366 -0.374 30 20 DBED CC(C)(C)[C@H](NC(N)=O)C(=O)NCCN=c1cc[nH]c(C#N)n1 1093745338 XCYLVUYBVLAPBM-LLVKDONJSA-N 319.369 -0.619 30 20 DBED Cc1cnc2nc(C(=O)NCCNc3cnc(C#N)cn3)nn2c1 1093941730 CBSRXGMGKPOGTL-UHFFFAOYSA-N 323.320 -0.064 30 20 DBED CC(C)N1C(=O)CC[C@H]1C(=O)NCCN=c1cc[nH]c(C#N)n1 1094061611 ZBUVSRMTPFSDEJ-NSHDSACASA-N 316.365 -0.302 30 20 DBED C#CCN1CC(n2cc(CNC(=O)[C@H]3C[C@@]34CCOC4)nn2)C1 1094333374 DYZXUYDNTPPGGQ-GDBMZVCRSA-N 315.377 -0.189 30 20 DBED CNC(=O)C1(C(=O)NCCCN=c2cc[nH]cc2C#N)CC1 1094496504 FGQWRUYZFWGIJQ-UHFFFAOYSA-N 301.350 -0.180 30 20 DBED C[C@@H](C(=O)NCCCN=c1cc[nH]c(C#N)n1)[C@@H]1CCC(=O)N1 1094796226 CBCPNYSBCFYMJU-MNOVXSKESA-N 316.365 -0.397 30 20 DBED Cc1ccc(C#N)c(N(C)[C@H]2CCN(C(=O)CNC(N)=O)C2)n1 1095091820 VYHBFRNFQJGBRA-LBPRGKRZSA-N 316.365 -0.033 30 20 DBED COC(=O)NCC(=O)N1CC[C@@H](N(C)c2ccc(C#N)nn2)C1 1095092681 GHMKJPVEUFMYHA-LLVKDONJSA-N 318.337 -0.259 30 20 DBED C[C@H](CC(=O)NCCCN(C)c1cncc(C#N)n1)NC(N)=O 1095640377 NIDJYKKQCUTBAH-SNVBAGLBSA-N 319.369 -0.262 30 20 DBED CNC(=O)CC(=O)N[C@H]1CCCN(c2cnc(C#N)cn2)C1 1096161653 SZJKTJIQLUNKGH-JTQLQIEISA-N 302.338 -0.431 30 20 DBED CC(=O)N[C@@H](C)C(=O)N[C@H]1C[C@H](Nc2nccnc2C#N)C1 1096987618 VTBNTKMMOQQRFP-LSJOCFKGSA-N 302.338 -0.068 30 20 DBED C=CCN(CCO)C1CCN(C(=O)[C@H]2CC(=O)N(C)C2)CC1 1098384192 MYNYKKQZVATMQZ-ZDUSSCGKSA-N 309.410 -0.064 30 20 DBED N#Cc1ccc(NC[C@H]2CCN(C(=O)CCNC(N)=O)C2)nn1 1098528966 GIHLQVASMXYSDA-SNVBAGLBSA-N 317.353 -0.333 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)[C@@H]1CCC(=O)N1)C[C@H](C)O2 1098656194 QRSHHPLCGUUCRT-KBPBESRZSA-N 319.405 -0.020 30 20 DBED CCNC(=O)CC(=O)NCC[C@@H](C)N=c1cc[nH]c(C#N)n1 1098983989 KPKKRBYPPZXOLX-SNVBAGLBSA-N 304.354 -0.397 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(Cc2ncnn2CC)C[C@@H]1O 1099741279 QLJKJMUQUBCSAQ-OLZOCXBDSA-N 323.397 -0.448 30 20 DBED CCN(C)C(=O)CN1CC[C@@H](NC(=O)C#CC(C)C)[C@H](O)C1 1099821237 SCMKRINNMLXXTP-ZIAGYGMSSA-N 309.410 -0.325 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)CC(=O)N(C)C)[C@@H](O)C1 1100029599 QJTJVPCAYFDWQZ-OLZOCXBDSA-N 313.398 -0.781 30 20 DBED C=CCN1CC[C@H](NC(=O)COCc2nncn2C)[C@@H](O)C1 1100057396 FNFYZSQQRZVPMV-RYUDHWBXSA-N 309.370 -0.931 30 20 DBED CCN(CCNC(=O)[C@@H]1CCCNC1=O)c1cncc(C#N)n1 1100640141 LJDXVZGSAKMORD-GFCCVEGCSA-N 316.365 -0.183 30 20 DBED C#CCOCCC(=O)N[C@H]1CC2(CN(CCO)C2)n2ccnc21 1101629118 KICZVMSPJJAEOE-ZDUSSCGKSA-N 318.377 -0.513 30 20 DBED CN(CCN=c1cc[nH]cc1C#N)C(=O)[C@@H]1CCC(=O)NC1 1102027325 DGYFYJATINHGSK-LLVKDONJSA-N 301.350 -0.228 30 20 DBED CN(C(=O)CS(C)(=O)=O)[C@@H]1CCN(c2cnc(C#N)cn2)C1 1102683477 DXOACDWIBNAHJY-LLVKDONJSA-N 323.378 -0.570 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)[C@@H]1CCNC1=O 1104157455 NBPGMEBPSQUWNH-VHSXEESVSA-N 302.338 -0.930 30 20 DBED Cc1cc(=NC[C@H](C)N(C)C(=O)[C@@H]2CNC(=O)N2)c(C#N)c[nH]1 1104785004 LCBVVBQKTCKDMQ-GWCFXTLKSA-N 316.365 -0.376 30 20 DBED CC(C)[C@H](CNC(=O)[C@H]1CCC(=O)N1)N=c1cc[nH]c(C#N)n1 1105136570 XJZMGULCKIDETQ-MNOVXSKESA-N 316.365 -0.399 30 20 DBED Cc1[nH]nc(C(=O)N2CC(n3cc(CNCC#N)nn3)C2)c1C 1105195003 UMFYCICXEZFZDZ-UHFFFAOYSA-N 314.353 -0.072 30 20 DBED Cc1ncc(C(=O)NC[C@H](O)CNc2cnc(C#N)cn2)[nH]1 1105749904 DOPAPYZPKMMWHX-SNVBAGLBSA-N 301.310 -0.417 30 20 DBED CO[C@@H](C(=O)NC[C@@H](O)CNc1ccc(C#N)nn1)C1CC1 1105832661 FVJGXFZRERLDED-WCQYABFASA-N 305.338 -0.338 30 20 DBED Cc1nonc1C(=O)NC[C@@H](O)CNc1nccnc1C#N 1105884702 OPDRMMOOAMEZAL-QMMMGPOBSA-N 303.282 -0.758 30 20 DBED COC[C@H](C)C(=O)N1C[C@@H](C)[C@H](CNCC(=O)NCC#N)C1 1105931483 KIIPPKSIQIXTTK-FRRDWIJNSA-N 310.398 -0.407 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)[C@@H]2CN(C)CCO2)C[C@H]1C 1105974099 OCFBRTHGGRBOLI-OAGGEKHMSA-N 323.437 -0.349 30 20 DBED N#Cc1cncc(NC[C@H](O)CNC(=O)c2csnn2)n1 1106054843 SUVIPVUZRQGQLW-QMMMGPOBSA-N 305.323 -0.597 30 20 DBED Cc1cc(C#N)nc(NC[C@H](O)CNC(=O)CCCN(C)C)n1 1106075845 LUEPSJWLNNFWMD-CYBMUJFWSA-N 320.397 -0.113 30 20 DBED Cc1cc(=NCC[C@H](C)NC(=O)[C@H]2CNC(=O)N2)c(C#N)c[nH]1 1106544328 ZGECUHMMWAYODI-TVQRCGJNSA-N 316.365 -0.328 30 20 DBED C=CCCn1cc(C(=O)N2C[C@@H](C)[C@H](CNCC(N)=O)C2)nn1 1106748407 ZHSQLUVSABNACA-VXGBXAGGSA-N 320.397 -0.363 30 20 DBED N#CCN1CC(n2cc(CNC(=O)C[C@@H]3CCCO3)nn2)C1 1107135427 UCPIFDDDWGUXMD-ZDUSSCGKSA-N 304.354 -0.156 30 20 DBED C=C(C)CCN1CC(n2cc(CNC(=O)CC(N)=O)nn2)C1 1107152446 BZPZMZNOLPNVMY-UHFFFAOYSA-N 306.370 -0.407 30 20 DBED C[C@H](CNc1ccc(C#N)nn1)NC(=O)C[C@@H]1CCC(=O)N1 1107839374 YKOAESLZVGLSIB-ZJUUUORDSA-N 302.338 -0.066 30 20 DBED C[C@@H](CNc1ccc(C#N)nn1)NC(=O)CCn1ccnn1 1108330237 NNWGKHSMDGHPJX-JTQLQIEISA-N 300.326 -0.053 30 20 DBED C=CCC[C@@H](C)N1CC(N2C[C@H](NC(=O)CC(N)=O)CC2=O)C1 1108524797 CKFJSXKBYALYQM-VXGBXAGGSA-N 322.409 -0.382 30 20 DBED CC(=O)N[C@@H](C)C(=O)N[C@H](C)CN(C)c1ccnc(C#N)n1 1108817512 CXWNFOVGFCTWOP-ZJUUUORDSA-N 304.354 -0.186 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1[C@H]2C[C@H]1N(c1ccc(C)nn1)C2 1109704345 RHWVRAYJOHYZMP-HWWQOWPSSA-N 313.361 -0.382 30 20 DBED N#Cc1nccnc1NC1(CNC(=O)[C@@H]2COCCO2)CC1 1110058404 IXUYDNCQCBHMES-NSHDSACASA-N 303.322 -0.176 30 20 DBED N#Cc1cnc(NC[C@@H](NC(=O)C(N)=O)C2CCCC2)cn1 1110679685 XBKIVZADYYRUCZ-LLVKDONJSA-N 302.338 -0.080 30 20 DBED C[C@@]1(NC(=O)CNC(N)=O)CCN(c2ccnc(C#N)n2)C1 1110708866 NNDFFRKCOQEMOR-CYBMUJFWSA-N 303.326 -0.898 30 20 DBED CC(C)(O)CC(=O)NC[C@@]1(O)CCN(c2nccnc2C#N)C1 1111065772 ICGOZXVDZPECQJ-HNNXBMFYSA-N 319.365 -0.433 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1111176490 JXLAPGVUZWULED-DCAQKATOSA-N 300.322 -0.484 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCOC2)C1 1111634586 BYRQMVDURUZDHL-ZQIUZPCESA-N 319.405 -0.257 30 20 DBED N#Cc1c[nH]ccc1=NC1(CNC(=O)Cn2cnnn2)CCC1 1111754419 DCJZSRKWPXOWNJ-UHFFFAOYSA-N 312.337 -0.487 30 20 DBED N#Cc1ccc(NC[C@H]2CN(C(=O)CNC(N)=O)CCO2)nc1 1111931198 VJYKJLIHADYFEW-NSHDSACASA-N 318.337 -0.739 30 20 DBED C[C@@H]1CN(C(=O)CCNC(N)=O)C[C@@H]1N=c1cc[nH]c(C#N)n1 1112312319 FLKPGANVJIWEHJ-ZJUUUORDSA-N 317.353 -0.913 30 20 DBED C=C(C)CN(CC)C(=O)CN1CCN(C(=O)CC(=O)NC)CC1 1112794065 XHQQSDJYLNTJTP-UHFFFAOYSA-N 324.425 -0.309 30 20 DBED C[C@H](N=c1cc[nH]c(C#N)n1)[C@@H](C)NC(=O)c1nccnc1N 1112937990 LLCKPEBHOYNEGG-DTWKUNHWSA-N 312.337 -0.239 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)c2ccn(C)n2)CC1 1113631639 DHWPCHCJRULZBO-LBPRGKRZSA-N 305.382 -0.131 30 20 DBED N#CCSCC(=O)N[C@H]1[C@@H]2CN(CCn3cncn3)C[C@@H]21 1113899910 WNQZRQFCHZDHIB-PJXYFTJBSA-N 306.395 -0.419 30 20 DBED COCC1(CC(=O)NC2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]23)CC1 1114260651 QRGASEKFSQXEOB-VXGBXAGGSA-N 320.393 -0.511 30 20 DBED C#CCOCCC(=O)N[C@H]1[C@@H]2CN(CC(=O)N(CC)CC)C[C@@H]21 1114265992 KQFSVYXJGQOWKQ-HALDLXJZSA-N 321.421 -0.059 30 20 DBED C#CCOCCC(=O)N[C@H]1[C@@H]2CN(Cc3nncn3C)C[C@@H]21 1114266586 SKXCKMLOLLFGEZ-JYAVWHMHSA-N 303.366 -0.599 30 20 DBED CC(=O)NCC(=O)NCC1[C@H]2CN(c3ccc(C#N)nn3)C[C@H]12 1114503495 OHEOCURLHSPHAB-CHWSQXEVSA-N 314.349 -0.717 30 20 DBED COC(=O)NCC(=O)N(C)C[C@H](C)N=c1cc[nH]c(C#N)n1 1115621047 TXNRFTLZDODBNG-VIFPVBQESA-N 306.326 -0.615 30 20 DBED CC[C@@H](C#N)NC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 1116667822 LVWRDJAWNRQWON-GARJFASQSA-N 313.379 -0.560 30 20 DBED C[C@@H](CN(C)C(=O)[C@H]1CCNC1=O)N=c1cc[nH]c(C#N)n1 1120407112 GVRWMCUJMBMBGT-UWVGGRQHSA-N 302.338 -0.835 30 20 DBED CCn1ccc(C(=O)NC[C@@H](CO)N=c2cc[nH]c(C#N)n2)n1 1122053176 VBJNJLZXCAPUTL-JTQLQIEISA-N 315.337 -0.811 30 20 DBED CN(C[C@@H](O)CN(C)c1ccnc(C#N)n1)C(=O)[C@@H]1CCOC1 1124995544 STAVGLAMGKXEHX-NEPJUHHUSA-N 319.365 -0.360 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)CNC(=O)CC)C1 1128830348 QDWXZULRENMDQF-NEPJUHHUSA-N 306.370 -0.668 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1n1ccnn1 1129678166 YGSCFCVFFJJNJE-MJBXVCDLSA-N 316.365 -0.571 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)c1ccc(=O)n(C)c1 1130768821 GAPDJHONPWKEKU-NSHDSACASA-N 306.366 -0.605 30 20 DBED C=C(C)CN1CCOC[C@H]1c1n[nH]c(CNC(=O)CC(N)=O)n1 1130839437 LNCWWIHGIZMHPG-JTQLQIEISA-N 322.369 -0.754 30 20 DBED CC#CCN1C[C@H]2C[C@H]3CN(C(=O)[C@H](COC)OC)C[C@@]3(C1)O2 1131265161 YQBLBWZJCDZRBL-QSJFSLAZSA-N 322.405 -0.027 30 20 DBED C#CCN1C[C@@H]2OC(=O)N([C@@H]3CCN(C(=O)COCC)C3)[C@@H]2C1 1131297573 GBVYZPUVTFPOQV-MCIONIFRSA-N 321.377 -0.238 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)Cc2cn(CC)nn2)C1=O 1131621936 LSGLROZZTJZSES-CYBMUJFWSA-N 320.397 -0.667 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)c2coc(C(N)=O)c2)C1=O 1131783065 SHIUYQJKRWCLRK-NSHDSACASA-N 320.349 -0.515 30 20 DBED C[C@@H]1CC[C@H](NC(=O)c2cnns2)CN1CC(=O)NCC#N 1131838635 KLXYKGLDCBJSDY-ZJUUUORDSA-N 322.394 -0.239 30 20 DBED C#Cc1cncc(C(=O)NCCNC[C@@H](O)Cn2cccn2)c1 1133597554 SYPVUWVOUKAQTP-OAHLLOKOSA-N 313.361 -0.360 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@H](C)OCc1ccncc1 1134025204 QFVQMRKSYFHIHF-ZDUSSCGKSA-N 318.377 -0.558 30 20 DBED CNC(=O)NC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)C#CC1CC1 1134319243 YJVJCXFDEYFTCP-WDEREUQCSA-N 308.382 -0.272 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NCCNCCN1CCCC1=O 1134816891 JIQSFVWEWXKYAK-AWEZNQCLSA-N 324.425 -0.215 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)C(C)(C)NC(C)=O)C1=O 1135375805 YNDFHYDNHSYANL-GFCCVEGCSA-N 310.398 -0.606 30 20 DBED N#CCSCC(=O)N1CC2(CCN(Cc3nc(O)n[nH]3)C2)C1 1147031174 IEBBTRDOCHMVAW-UHFFFAOYSA-N 322.394 -0.199 30 20 DBED COCC#CCN1CCCO[C@H](CNC(=O)c2cn(C)cn2)C1 1149522342 VGYUXPDDNQULJH-CQSZACIVSA-N 320.393 -0.109 30 20 DBED C[C@@H](CN1CCOCC1)C(=O)NC[C@H]1CN(CC#N)CCCO1 1150725356 ULJKGFWWCIXVCV-GJZGRUSLSA-N 324.425 -0.315 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)Cc1c(C)n[nH]c1C 1150823312 UFTCFKPJAWSHJF-LBPRGKRZSA-N 305.382 -0.587 30 20 DBED COCCC1(NC(=O)[C@@H]2CCC(=O)N2)CCN(CC#N)CC1 1151402547 LCLWFQBGJZSSGD-LBPRGKRZSA-N 308.382 -0.224 30 20 DBED C#CCN1CCC(C(=O)NCCNCC(=O)N[C@@H](C)CC)CC1 1152335044 XPAMRJLCSXPXJT-AWEZNQCLSA-N 322.453 -0.048 30 20 DBED C=CCO[C@H](C)C(=O)NCCNCC(=O)Nc1nncs1 1153134744 IGMQKLAGUUEFEC-SECBINFHSA-N 313.383 -0.227 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)Cc1ncc[nH]1 1156011427 DALAYTQCBCHCNA-GFCCVEGCSA-N 305.382 -0.472 30 20 DBED N#CCNC(=O)CNCC1(CCNC(=O)C2=COCCO2)CC1 1163276151 QLSBUVQQHXCNRK-UHFFFAOYSA-N 322.365 -0.610 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)[C@H]2CCNC2=O)C1=O 1163948944 YQPPQXAAKOGULL-NEPJUHHUSA-N 308.382 -0.995 30 20 DBED C#CCNC(=O)[C@H](C)NCC1(CCNC(=O)CC(=O)NC)CC1 1164263370 JRICDLADFSTSRK-LBPRGKRZSA-N 322.409 -0.864 30 20 DBED COCCn1cc(C(=O)NCCC2(CNCC#N)CC2)nn1 1164519717 OQOLJFVINWXJHI-UHFFFAOYSA-N 306.370 -0.062 30 20 DBED C=CCn1cc(C(=O)NCCCNCc2cnnn2CC)nn1 1167838643 JZCOIULMQPRBFK-UHFFFAOYSA-N 318.385 -0.015 30 20 DBED CC#CCNCCCC[C@H](C)NC(=O)Cn1ncn(C)c1=O 1171612017 ZRYQWQTVOKQBFJ-ZDUSSCGKSA-N 307.398 -0.130 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@H](CC)N1CCCC1=O 1176476837 GFJGVDRGUHOLBE-ZDUSSCGKSA-N 324.425 -0.215 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](NC[C@@H]2CCc3ncnn32)C1 1182514808 UIBJOWIQJSUAFX-KGLIPLIRSA-N 317.393 -0.004 30 20 DBED C#CCNC[C@H]1CCN(C(=O)CCNS(C)(=O)=O)C[C@H]1C 1184523416 LPQYKCPMEDLLHX-CHWSQXEVSA-N 315.439 -0.367 30 20 DBED COc1cc(C(=O)N2CC[C@H](N(C)CC(=O)NCC#N)C2)on1 1189735228 MHBNOIDQCICNJY-JTQLQIEISA-N 321.337 -0.531 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2nccn2CC)C1 1189883293 SQHKVRATCHSUEO-ZDUSSCGKSA-N 317.393 -0.201 30 20 DBED CN(CC(=O)NCC#N)[C@H]1CCN(C(=O)[C@@]2(F)CCOC2)C1 1191948437 NDSDJQABUJCSAW-SMDDNHRTSA-N 312.345 -0.713 30 20 DBED C#CCN(C)[C@@H]1CCN(C(=O)CNC(=O)c2cccnc2)C1 1192473491 YAYWZMBFVXTGNC-CQSZACIVSA-N 300.362 -0.023 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)Cc2cncs2)C1 1193940674 AZYKCLTZJPNLQB-CHWSQXEVSA-N 309.391 -0.503 30 20 DBED COCCCCC(=O)N1CCCN(CC(=O)NCC#N)CC1 1195182619 RGBPAKZPDUFFAT-UHFFFAOYSA-N 310.398 -0.023 30 20 DBED COCC#CCN1CCCN(C(=O)CN2CCOCC2=O)CC1 1196177663 GMUYKZRLRRLEKH-UHFFFAOYSA-N 323.393 -0.971 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)CCCCC(N)=O)C1 1197612241 LHQVNKNIIHKTGX-GHMZBOCLSA-N 303.790 -0.054 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)CNC(=O)c2cccs2)C1 1198352513 FUIUOAAMWVXDLW-GHMZBOCLSA-N 309.391 -0.175 30 20 DBED CC(C)(C)n1nnc(C(=O)N2CCCO[C@@H](CNCC#N)C2)n1 1200555044 ONCQXTXYBPJNFD-NSHDSACASA-N 321.385 -0.228 30 20 DBED C#CCNC(=O)[C@H](C)NC1CCN(C(=O)c2ccncn2)CC1 1202999320 SVIZDDFYHSJKEA-LBPRGKRZSA-N 315.377 -0.191 30 20 DBED C#CCNC(=O)CN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)CCOC)C2 1203864570 INYPAMYMYUVIJO-MGPQQGTHSA-N 307.394 -0.259 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)c2cn(C)cn2)CC1 1204973773 JPLSVQIDVJFDRW-UHFFFAOYSA-N 317.393 -0.389 30 20 DBED COCC#CCNCC1CCN(C(=O)[C@@H]2COC(=O)N2)CC1 1205152254 CFVOUZBBYGUXLW-ZDUSSCGKSA-N 309.366 -0.427 30 20 DBED CC(C)[C@@H](O)C(=O)N1CCC(CNCC(=O)NCC#N)CC1 1205158718 OAWWNMUKKCBBOD-CQSZACIVSA-N 310.398 -0.529 30 20 DBED C#CCCNCC1CCN(C(=O)c2cnc(O)n(C)c2=O)CC1 1205846742 YAHFDEQMNAAKEA-UHFFFAOYSA-N 318.377 -0.049 30 20 DBED N#CCNC(=O)CN[C@H]1CCCN(C(=O)C[C@H]2CCCO2)C1 1207453247 ZCQZOZWPCSQLMS-QWHCGFSZSA-N 308.382 -0.224 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC[C@H](NCc2nnn(C)n2)C1 1208018484 PNTDDXQAEOHAKV-NEPJUHHUSA-N 306.370 -0.671 30 20 DBED COCC#CCN1C[C@@H](NC(=O)[C@H]2CCNC(=O)CC2)[C@H](C)C1 1208124020 VLMGUCROTZRVKZ-RBSFLKMASA-N 321.421 -0.011 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CCCN(C(=O)c2[nH]nnc2C)C1 1208908882 BMHDMVFMIZDNEY-NWDGAFQWSA-N 320.397 -0.002 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)C[C@H]2CCN(C)C2)C1 1210673863 IKUZUVQHIJGDIA-CABCVRRESA-N 320.437 -0.342 30 20 DBED COCC#CCN1C[C@@H](NC(=O)[C@@H]2CCC(=O)N2C)[C@H](OC)C1 1213280134 DFALJCODRYGLGP-HZSPNIEDSA-N 323.393 -0.928 30 20 DBED C=CCn1cc(C(=O)N2C[C@@H](N[C@@H](C)C(=O)NC)[C@H](C)C2)nn1 1215832162 CRNCMWAPQKWUPY-GRYCIOLGSA-N 320.397 -0.351 30 20 DBED C=CCn1cc(C(=O)N2C[C@@H](NCC(=O)NCC)[C@H](C)C2)nn1 1215832232 FLPFIMNTTVBPTA-VXGBXAGGSA-N 320.397 -0.350 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2ccn(C)n2)C[C@H]1C 1216753980 CGLZKLBRZFYUJS-YRGRVCCFSA-N 317.393 -0.392 30 20 DBED C#CCN[C@@H]1CN(C(=O)CS(=O)(=O)NC(C)(C)C)C[C@H]1C 1216778631 RSRDPLOBLSFLJA-VXGBXAGGSA-N 315.439 -0.226 30 20 DBED N#CCN1CC[C@@H]2CN(C(=O)CCNC(=O)[C@@H]3CCCO3)[C@@H]2C1 1222123947 BAAPHCSZEJSDOW-MCIONIFRSA-N 320.393 -0.272 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CCCC[C@H]1NCCN1C(=O)CNC1=O 1225428110 ZNJPQPOODASUAU-QJPTWQEYSA-N 321.381 -0.285 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC(NC(=O)[C@@H]2CCCN2C)CC1 1226608658 PFXACXJWJYZHDT-ZFWWWQNUSA-N 320.437 -0.201 30 20 DBED CN(C[C@@H]1CCN1CC(=O)NCC#N)C(=O)[C@H]1CC1(F)F 1234089954 WMZXOBXIUCMADE-VHSXEESVSA-N 300.309 -0.186 30 20 DBED COCCC1(C(=O)N(C)C[C@@H]2CCN2CC(=O)NCC#N)CC1 1235159987 NZGWFIWVEIVZOY-ZDUSSCGKSA-N 322.409 -0.024 30 20 DBED C#CCC[C@@H](O)CNC(=O)c1ccc(CNS(C)(=O)=O)o1 1256534230 XSALWDJKRAJCRS-SNVBAGLBSA-N 314.363 -0.167 30 20 DBED C=C(C)COCCNC(=O)C(=O)N1CC[C@@H](n2cncn2)C1 1261164166 IJTCNXQJSXYLTB-GFCCVEGCSA-N 307.354 -0.240 30 20 DBED C#CCCN[C@H]1CCN(C(=O)CN(C)CC(=O)NC(C)C)C1 1265916728 XMUVHKWSYDDDKN-AWEZNQCLSA-N 308.426 -0.343 30 20 DBED CC(C)[C@@H](C(=O)N[C@H]1C[C@@H](NCC(=O)NCC#N)C1)N(C)C 1266693172 QRNCXRBPICAXOL-SCRDCRAPSA-N 309.414 -0.551 30 20 DBED C=CCNC(=O)CNC(=O)[C@H](C)S(=O)(=O)C1CCOCC1 1319869157 CIDDQBBNEKUTLI-JTQLQIEISA-N 318.395 -0.613 30 20 DBED N#C[C@]1(F)CCN(C(=O)C(=O)NCC(=O)N2CCCCC2)C1 1322454301 BWHJNDMQLSVYTJ-CQSZACIVSA-N 310.329 -0.421 30 20 DBED Cc1cc(NC(=O)C(=O)NCC(=O)NCC#N)n(C(C)(C)C)n1 1323811264 ZIJDHPQDTPPERV-UHFFFAOYSA-N 320.353 -0.359 30 20 DBED Cn1cc([C@]2(C)NC(=O)N(CC(=O)NCCC#N)C2=O)cn1 1324717275 YZCWZNVSJNGYCA-ZDUSSCGKSA-N 304.310 -0.783 30 20 DBED C[C@@H](COCC1CC1)NC(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1327036709 BAKNPTMMJKMYEW-NHYWBVRUSA-N 309.366 -0.205 30 20 DBED C#CC1CCN(C(=O)C(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)CC1 1328315296 GWJJVFGIAXBLLK-NWDGAFQWSA-N 307.350 -0.993 30 20 DBED Cc1noc([C@@H](C)N(C)C(=O)C(=O)N2CC[C@](O)(CC#N)C2)n1 1332978295 IGZUCAFUESZMLT-YMTOWFKASA-N 321.337 -0.226 30 20 DBED C=CCC1(O)CCN(C(=O)C(=O)N2CC(=O)N[C@H](C)C2)CC1 1338189313 BGXBGSQUDOVQAK-LLVKDONJSA-N 309.366 -0.737 30 20 DBED CN(C)C(=O)N1CCN(C(=O)C(=O)NCC2(CC#N)CC2)CC1 1349086850 MHGADWJXEQYVRG-UHFFFAOYSA-N 321.381 -0.378 30 20 DBED C[C@]1(C#N)CCCN(C(=O)C(=O)N2CCOC[C@@H]2CCO)C1 1353106855 DTFKPJFLGHBMLO-SWLSCSKDSA-N 309.366 -0.252 30 20 DBED Cc1onc(CC(=O)N(CC(N)=O)C2CCOCC2)c1C#N 1363547282 RJRJCTCSERHPJP-UHFFFAOYSA-N 306.322 -0.110 30 20 DBED Cn1c(=O)[nH]c(N2CCc3ncnc(O)c3C2)c(C#N)c1=O 1363730207 IHMUYOADWMWEFB-UHFFFAOYSA-N 300.278 -0.996 30 20 DBED N#C[C@@H]1CCCN(C(=O)C2CCN(S(N)(=O)=O)CC2)C1 1364739884 HMXWGUWYYDSESR-JTQLQIEISA-N 300.384 -0.336 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N[C@H]1CCc2nnnn2CC1 1364885737 GVUIDYGTIXUQDR-ZJUUUORDSA-N 313.387 -0.554 30 20 DBED CN(CCNC(=O)C[C@@H]1CCC(=O)N1)c1cncc(C#N)n1 1365772116 XJJSMZRWJARTRH-JTQLQIEISA-N 302.338 -0.431 30 20 DBED CC(C)[C@H](CNC(=O)CCS(C)(=O)=O)NC(=O)[C@H](C)C#N 1376027685 YUKGCRASXNNKQP-MNOVXSKESA-N 317.411 -0.162 30 20 DBED CC(=O)N[C@H](C)C(=O)NC[C@@H](O)CNCc1cccc(C#N)c1 1406184298 CQMWJNJJLGFCKX-ABAIWWIYSA-N 318.377 -0.350 30 20 DBED N#Cc1nc(=NC[C@H]2CCN(C(=O)Cn3cncn3)C2)cc[nH]1 1414986222 NLAPLHUWNIQAIA-LLVKDONJSA-N 312.337 -0.678 30 20 DBED N#Cc1ccccc1CNC[C@@H](O)CNC(=O)[C@H]1C[C@H]1C(N)=O 1420173628 MIRBFYDDHBCTDA-MCIONIFRSA-N 316.361 -0.754 30 20 DBED N#Cc1cn(CCC(=O)N2CC[C@H](CCCO)C2)c(=O)nc1O 1434083680 HWSLPLKTHFWMOW-NSHDSACASA-N 320.349 -0.168 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1C[C@@H](NC(=O)c2cn(C)c(=O)n2C)C1 1445957385 NOGDWISPNDMOPI-MXWKQRLJSA-N 319.365 -0.492 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@@H]1CCN(C(=O)CN2CCOCC2=O)C1 1453666117 QZSDSJASAATSRK-NWDGAFQWSA-N 322.365 -0.936 30 20 DBED CN(CC(=O)NCCn1cc(C#N)c(O)nc1=O)CC(C)(C)C 1453845339 SJZUAVUDDZIRPV-UHFFFAOYSA-N 321.381 -0.085 30 20 DBED C[C@H](C#N)C(=O)NCCN1CCN(C(=O)c2ccon2)CC1 1453947497 LRIWBCHXWNHAQI-LLVKDONJSA-N 305.338 -0.292 30 20 DBED CC(=O)N1CC(C(=O)N[C@@H](C)CNC(=O)c2c[nH]c(C#N)c2)C1 1454595014 XCNHZVXXQOHIEB-VIFPVBQESA-N 317.349 -0.401 30 20 DBED CC(=O)N[C@H](C)C(=O)NCC1(NC(=O)c2cc(C#N)c[nH]2)CC1 1458847684 TWAAAFSNRZXOSN-SECBINFHSA-N 317.349 -0.210 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1ccc2nncn2c1 1501576639 NVMRNIFNRSQMFG-ONGXEEELSA-N 316.321 -0.904 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]1CN(C)C(=O)CNC(=O)C1CC1 1514539829 GWAWAFWKHXBMSM-CMPLNLGQSA-N 306.366 -0.268 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C)C(=O)c1ccc2nnnn2c1 1528596534 KAQMJMUZQYMDGA-VIFPVBQESA-N 301.310 -0.528 30 20 DBED C=CCCOCC(=O)N[C@@H]1CCCN(Cc2nnnn2C)C1 1566634730 GVRVNJZCUCGRDR-GFCCVEGCSA-N 308.386 -0.117 30 20 DBED CC(C)N1CCN(c2cnc(-c3nn[nH]n3)c(C#N)n2)CC1=O 1574290811 USLFZNUMHACXAQ-UHFFFAOYSA-N 313.325 -0.415 30 20 DBED CC#CC[C@@H](N)C(=O)N[C@H]1CC(=O)N(CCN(C)CCOC)C1 1574973140 SSUKXBJKTLIFLS-UONOGXRCSA-N 324.425 -0.978 30 20 DBED N#Cc1csc(CNC(=O)[C@@H]2CCCN(CCN)C2=O)n1 1580081323 CGOVKJNZEFNGKG-JTQLQIEISA-N 307.379 -0.172 30 20 DBED N#Cc1ncc(N2CCC[C@@H]2C2OCCO2)nc1-c1nn[nH]n1 1581881894 DPORHFCKLCWFQN-SECBINFHSA-N 314.309 -0.130 30 20 DBED C=C[C@H](CO)NC(=O)NCCNc1ncccc1-c1nn[nH]n1 1588728701 VVQFSNNSDWZPNX-SECBINFHSA-N 318.341 -0.480 30 20 DBED C=C[C@H](CO)NC(=O)COc1ccc(-c2nn[nH]n2)cc1OC 1588728933 YVLXDKLNGVADMK-SNVBAGLBSA-N 319.321 -0.083 30 20 DBED CNC(=O)[C@@H](Nc1cnc(C#N)c(-c2nn[nH]n2)n1)C(C)C 1591212628 FBLBHLSFYAKGDB-VIFPVBQESA-N 301.314 -0.289 30 20 DBED N#C[C@]12CN(c3cc(C(=O)O)ncn3)C[C@H]1CS(=O)(=O)C2 1601079473 DHHDKCNUHNMSCR-QPUJVOFHSA-N 308.319 -0.451 30 20 DBED C#CCO[C@@H](C)C(=O)NCCNc1ccc(-c2nn[nH]n2)nn1 1602726371 FIYUGYCIIPPIKG-VIFPVBQESA-N 316.325 -0.777 30 20 DBED C=C[C@@H](O)C(=O)N1CCN(c2cnccc2-c2nn[nH]n2)CC1 1602804196 TUWPIMKCFISHGI-GFCCVEGCSA-N 315.337 -0.543 30 20 DBED CCCn1c(C)nnc1Cn1c(N)nc(C#N)c1-c1nn[nH]n1 1604252422 VHFIEFZJYWFJAZ-UHFFFAOYSA-N 313.329 -0.125 30 20 DBED COC(=O)[C@]1(C)CCN(c2cnc(C#N)c(-c3nn[nH]n3)n2)C1 1604914479 IVKAQKKUJFTZQX-CYBMUJFWSA-N 314.309 -0.082 30 20 DBED N#CC1(CNS(=O)(=O)c2cc(C(=O)O)no2)CCOCC1 1608175549 JEXAIUPGYMNYPZ-UHFFFAOYSA-N 315.307 -0.029 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)CN2CCC[C@@H](C(=O)O)C2=O)C1 1608181427 JZSAVIWQWVPXCO-QMTHXVAHSA-N 309.322 -0.813 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2ccc(C(=O)O)[nH]2)CC1 1609159252 YQLWGVMVGKVERO-UHFFFAOYSA-N 318.333 -0.780 30 20 DBED COc1cc(-c2nn[nH]n2)ccc1NC(=O)C(=O)NCCC#N 1609334697 SOYCMMQAWORIRW-UHFFFAOYSA-N 315.293 -0.156 30 20 DBED CN1CC[C@](O)(CNC[C@H](O)COc2ccccc2C#N)C1 1647557352 ILCFAKVHAJSBMW-HOCLYGCPSA-N 305.378 -0.046 30 20 DBED N#CCSCC(=O)NC[C@@H]1CCCN([C@@H]2CCNC2=O)C1 1752777070 JUWOTYJGKMQRKO-NWDGAFQWSA-N 310.423 -0.040 30 20 DBED C#CCCN[C@H](C)CNC(=O)[C@@H](NS(C)(=O)=O)C(C)C 1752904714 XVWJTNLLAMYREK-NEPJUHHUSA-N 303.428 -0.322 30 20 DBED C#CCNC(=O)CNC[C@@H]1CCN(C(=O)c2coc(OC)n2)C1 1752945694 OIFMJNSVCKXYIE-NSHDSACASA-N 320.349 -0.516 30 20 DBED C#CCNC(=O)CN[C@H](C)CCNC(=O)c1ccnc(OC)n1 1753011547 RROFKLGFSJQQGP-LLVKDONJSA-N 319.365 -0.667 30 20 DBED C#CCO[C@@H](C)C(=O)NC1CN([C@@H]2CCN(CC=C)C2=O)C1 1753377764 LAUYJIASHIUEBG-GXTWGEPZSA-N 305.378 -0.388 30 20 DBED C#CCO[C@H](C)C(=O)NCC1CN([C@@H](C)C(=O)NCCC)C1 1753402658 AANSYRCPNQKOHS-QWHCGFSZSA-N 309.410 -0.013 30 20 DBED C=C(C)CN1CC(CNC(=O)CCCN2C(=O)CNC2=O)C1 1753415336 WXTBYDLZQLRAHW-UHFFFAOYSA-N 308.382 -0.058 30 20 DBED Cn1ncc(C(=O)NC[C@@H](O)CNCC#N)c1C(F)(F)F 1753918172 TZGFERVMIQXARS-ZETCQYMHSA-N 305.260 -0.357 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(CC)CCNCc1ncnn1C 1754050332 SPQHDXBAJQHEDY-AWEZNQCLSA-N 318.425 -0.149 30 20 DBED C[C@H](C(=O)NC/C=C\CNCC(=O)NCC#N)n1cccn1 1754097527 TZOJOADZYGNURL-ZZKXABKFSA-N 304.354 -0.654 30 20 DBED C=CCN1CC[C@@H](NC/C=C/CNC(=O)[C@@H]2[C@H]3COC[C@H]32)C1=O 1754158976 KKSIDJZGLZJIDL-CIOKRBTQSA-N 319.405 -0.072 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CCN1CC(=O)NC[C@H]1CCOC1 1754483553 JVKOTPRYZHCYHO-CABCVRRESA-N 321.421 -0.011 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@H]1CNC(=O)C1(COC)CC1 1754488902 MFRAQAHXNMKHLU-OLZOCXBDSA-N 307.394 -0.259 30 20 DBED C#CCNC(=O)CNC1(CNC(=O)c2coc(OC)n2)CC1 1754525953 KUVCLYCJJVJJHD-UHFFFAOYSA-N 306.322 -0.715 30 20 DBED CCN(CCC#N)C(=O)CNC[C@@]1(C)CCN(C(=O)C(N)=O)C1 1754704416 HKEIEYXFJJXGSO-OAHLLOKOSA-N 323.397 -0.938 30 20 DBED CCn1ncnc1CN1CC[C@@](O)(CNC(=O)C#CC2CC2)C1 1754748430 IPKLKLJEAZQCHX-MRXNPFEDSA-N 317.393 -0.236 30 20 DBED C#CCCN1CC(O)(CNC(=O)c2ccc3nnc(O)n3c2)C1 1754775910 IWLJOLLEQSRAEH-UHFFFAOYSA-N 315.333 -0.765 30 20 DBED C#CCN1CC2(CC[C@H](CNC(=O)CN(C)C(=O)COC)O2)C1 1755054023 GARRLBPEMROAGY-CYBMUJFWSA-N 323.393 -0.926 30 20 DBED C[C@@H]1C[C@H](NC(=O)c2cncn2C)CCN1CC(=O)NCC#N 1755160892 ISPMZUHZDOFSBR-VXGBXAGGSA-N 318.381 -0.357 30 20 DBED CC(C)(C(=O)NCC1[C@H]2CN(CC#N)C[C@H]12)N1CCOCC1 1755429799 KKSDDWZDYOQKLI-ZIAGYGMSSA-N 306.410 -0.085 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C[C@@H](O)CN(C)Cc1n[nH]c(C)n1 1755800411 HXNCQLVILMWLRR-AAEUAGOBSA-N 323.397 -0.597 30 20 DBED C#CCCN(C)C[C@H](O)CN(C)C(=O)c1ccnc(OC)n1 1755802636 FCZRNKJRTXTOOQ-LBPRGKRZSA-N 306.366 -0.127 30 20 DBED C#CCCN(C)C[C@H](O)CN(C)C(=O)CCn1cnccc1=O 1755806417 FBWNWEFWTDWZPR-AWEZNQCLSA-N 320.393 -0.592 30 20 DBED O=C(C#CC1CC1)N[C@H](CO)CNC(=O)c1ncc(F)cc1F 1756534203 VVKSIPJEGRKFPH-NSHDSACASA-N 323.299 -0.020 30 20 DBED CN(C[C@@H](O)CN(C)C(=O)c1nc[nH]n1)C(=O)C#CC(C)(C)C 1756687151 AAKLQXJTQCSKRP-LLVKDONJSA-N 321.381 -0.255 30 20 DBED C#CCOCCC(=O)NC1CC(N(C)C(=O)CNC(=O)CC)C1 1756737099 TWPCIZSOGIZAHZ-UHFFFAOYSA-N 323.393 -0.342 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]nc2CC)C1 1757020406 YNKDCGWZXSDTNT-CHWSQXEVSA-N 322.365 -0.524 30 20 DBED C=CCOCC(=O)N(C)C[C@H]1CCN1C(=O)c1nnn(C)n1 1757278909 RNQXNMWRRYVNRU-SNVBAGLBSA-N 308.342 -0.914 30 20 DBED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(O)no3)C2)C1 1779678920 RFNDDUBUAAALLI-AWEZNQCLSA-N 305.290 -0.543 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)NC(=O)C=C)CCO2 1783051805 PLWVXDAPCIKNCO-WBMJQRKESA-N 319.361 -0.860 30 20 DBED CCC(=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)S)C2 1800478975 LIYAEOWRKAGCIY-MWGHHZFTSA-N 314.407 -0.127 30 20 DBED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(F)F)CCO2 1835463523 OQBYAPYYJWUXIH-CQSZACIVSA-N 316.304 -0.269 30 20 DBED COC(=O)CCC(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1842650593 ZORSTJAMIJZSFU-UHFFFAOYSA-N 322.317 -0.769 30 20 DBED C[C@H](S)C(=O)N1CC2(CCCN2C(=O)c2c[nH]c(=O)cn2)C1 1844764270 VLZGHQYMEAASFJ-VIFPVBQESA-N 322.390 -0.095 30 20 DBED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)c1cc[nH]n1)C2 1846194819 SKZGODHVKLIRPS-UHFFFAOYSA-N 302.290 -0.685 30 20 DBED C#CCNS(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1 18941078 BBUUOYAAGLATFM-UHFFFAOYSA-N 302.377 -0.152 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(CC(=O)N(CC)CC)CC1 42539567 BZJMWFVKKWLXGX-CQSZACIVSA-N 308.426 -0.390 30 20 DBED C/N=C(/NCC(=O)N1CCCC1)N1CCC[C@@H](CC(N)=O)C1 153604444 SBDGGTJNUIXKIM-LBPRGKRZSA-N 309.414 -0.228 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)[C@H]2CCCN2C)CC1 162723942 ZMUYIMICBODKMO-UONOGXRCSA-N 308.426 -0.085 30 20 DBED CCN(C[C@H](C)C#N)C(=O)CN1CCO[C@@H](CNC(C)=O)C1 246735760 QAWMZMFZMFSTEB-OCCSQVGLSA-N 310.398 -0.169 30 20 DBED CN1CCN/C1=N\CCS(=O)(=O)NC[C@H]1CCCCO1 262632070 FXOKBFMRNXNATL-LLVKDONJSA-N 304.416 -0.634 30 20 DBED CNC(=O)NC(=O)CN1CC[C@H](Oc2ccc(C#N)cn2)C1 292360314 XZHQSTRPSVDJTH-NSHDSACASA-N 303.322 -0.138 30 20 DBED CS(=O)(=O)NCC1CCN(/C(O)=N/[C@@H]2[C@H]3COC[C@H]32)CC1 329529266 VBVISXHYJFJARQ-GDNZZTSVSA-N 317.411 -0.194 30 20 DBED C[C@@H](C/N=C(/O)NCC1(O)CCOCC1)CN1CCOCC1 329801813 YUUPVLNESIPKIW-ZDUSSCGKSA-N 315.414 0.000 30 20 DBED C[C@H](C/N=C(/O)N[C@H]1CCS(=O)(=O)C1)CN1CCOCC1 329855116 TWLXDYQFWCHSPG-NEPJUHHUSA-N 319.427 -0.355 30 20 DBED CC[C@@H](O)CN1CCN(S(=O)(=O)N(C)[C@H](C)CC#N)CC1 330434659 YCDWZOWAXGKISW-CHWSQXEVSA-N 318.443 -0.146 30 20 DBED C/N=C(/O)NC(=O)CCN1CCC[C@H]1CS(=O)(=O)NC 331133856 CAOASRQVAHYGKF-VIFPVBQESA-N 306.388 -0.950 30 20 DBED CNS(=O)(=O)CC/N=C(/O)N[C@H](C)CN1CCCC1=O 331271074 UWAGDIIJKBBJNA-SECBINFHSA-N 306.388 -0.950 30 20 DBED CCC1(CC)NC(=O)N(CC(=O)N2CC(O)(CC#N)C2)C1=O 331788271 PGSBQGAXLXGTBO-UHFFFAOYSA-N 308.338 -0.416 30 20 DBED COCCN(CCC#N)S(=O)(=O)N(C)Cc1ccnn1C 337163538 WTRWWONWPFZKDB-UHFFFAOYSA-N 315.399 -0.041 30 20 DBED C[C@H]1CN(CC(=O)N(CCC#N)CCC#N)C[C@@H](C(N)=O)O1 347084368 AESABWYDLVWHHC-RYUDHWBXSA-N 307.354 -0.783 30 20 DBED C=CCNC(=O)NC(=O)CN[C@H](CC(N)=O)C1CCOCC1 348278649 BAULSPUGWFYXPA-LLVKDONJSA-N 312.370 -0.742 30 20 DBED C=CCOC[C@H]1NC(=O)N(C[C@H]2CN(C3CC3)CCO2)C1=O 349108528 KDJQPPBNFUDWEW-CHWSQXEVSA-N 309.366 -0.027 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)NC2(CO)CCOCC2)cc1 353528976 DCJVADOPNUEMCF-UHFFFAOYSA-N 317.345 -0.054 30 20 DBED C=CCN1CC[C@H](N(CCNS(C)(=O)=O)C2CC2)C1=O 361391629 PYDYDWLRRYZWON-LBPRGKRZSA-N 301.412 -0.213 30 20 DBED Cn1cc(CN2CCN(C(=O)Cn3cnc(C#N)n3)CC2)cn1 426446461 YCGMDPBCMYUCLY-UHFFFAOYSA-N 314.353 -0.772 30 20 DBED C#C[C@H](C)N(C)S(=O)(=O)N1CCN(C(=O)OCC)CC1 491682900 VNMKLYCZFRGOCM-NSHDSACASA-N 303.384 -0.041 30 20 DBED N#Cc1ccc(S(=O)(=O)NCCC(=O)NCC(=O)O)s1 517831115 FEDBNYKIPFQJAD-UHFFFAOYSA-N 317.348 -0.511 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C)[C@@H]2CCCOC2)C1=O 543732327 LFVAUZMBJNCDDD-GHMZBOCLSA-N 323.349 -0.106 30 20 DBED Cc1cc(NC(=O)C(=O)N(C)[C@H]2CCN(C)C2=O)ncc1C#N 567247509 INRVPRPEWONLAX-NSHDSACASA-N 315.333 -0.111 30 20 DBED CCC[C@H](O)[C@H](NS(=O)(=O)c1cncc(C#N)c1)C(=O)O 579299901 LEUSQAWXPWOGAF-QWRGUYRKSA-N 313.335 -0.154 30 20 DBED C=CCNS(=O)(=O)c1ccc(C(=O)NCc2nn[nH]n2)cc1 599334044 AECYOZKSDCBJNX-UHFFFAOYSA-N 322.350 -0.406 30 20 DBED CNS(=O)(=O)CCCNC(=O)CNc1ccc(C#N)cn1 600666560 WWKATTROHZRHAF-UHFFFAOYSA-N 311.367 -0.579 30 20 DBED CN(CCN1CCOCC1)C(=O)NC1CCN(CC#N)CC1 609340069 HATNYAZWWQEUHX-UHFFFAOYSA-N 309.414 -0.052 30 20 DBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1cnn(C[C@@H](O)CO)c1 614375683 VBQKSUJSSPRTRO-YUTCNCBUSA-N 309.366 -0.053 30 20 DBED CC#CC[C@@H](CO)NC(=O)NC[C@H](C)CN1CCN(C)CC1 645326086 IHGDHHWOFCLZJC-GJZGRUSLSA-N 310.442 -0.057 30 20 DBED CC#CC[C@@H](CO)NC(=O)NC[C@H]1CCCN1S(C)(=O)=O 645386277 GRHLFLNVSSWUCF-NWDGAFQWSA-N 317.411 -0.516 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)[C@@H]1CCc2nnc(C)n2C1 750680056 UOFLXIQHMYALDN-SNVBAGLBSA-N 321.337 -0.296 30 20 DBED C#C[C@H](NS(=O)(=O)c1cnn(CCOC)c1)[C@@H]1CCCO1 773057165 PDEAFTVUFPSTIA-STQMWFEESA-N 313.379 -0.011 30 20 DBED CNC(=O)[C@H](O)CNC(=O)C(C)(C)Oc1ccc(C#N)cc1 788187262 YRDJQKYTEPYBJC-GFCCVEGCSA-N 305.334 -0.061 30 20 DBED C#CCC[C@@H](O)CNS(=O)(=O)CCCN1CCOCC1 798487087 ZAQQVCGKAGQXGG-CYBMUJFWSA-N 304.412 -0.598 30 20 DBED C=CCOC[C@@H]1NC(=O)N(C[C@H]2CN3CCC[C@@H]3CO2)C1=O 804155593 YLGGJWQUKYGVMN-UPJWGTAASA-N 309.366 -0.027 30 20 DBED CC(C)OCCNN=Cc1c(N(C)C)n(C)c(=O)n(C)c1=O 807981345 LMYYOWKPPDVEBH-UHFFFAOYSA-N 311.386 -0.502 30 20 DBED N#CCN1CCC(NC(=O)N2CCO[C@@H](CC(=O)O)C2)CC1 833067697 YVBDRRLCSMUWSR-LBPRGKRZSA-N 310.354 -0.141 30 20 DBED CCN(C[C@@H](C)C#N)C(=O)COC(=O)[C@@H]1CC[C@H](C(N)=O)O1 860412051 RDUTXHBDPANGDO-AXFHLTTASA-N 311.338 -0.429 30 20 DBED N#CCCN1CCN(C(=O)C(=O)N2CCC[C@H](CN)C2)CC1 868385679 WVCXDMXGTGDMFG-CYBMUJFWSA-N 307.398 -0.758 30 20 DBED N#CCCN1CCN(C(=O)C(=O)NCCCNC2CC2)CC1 884676050 AJXDLUSIGHQJJA-UHFFFAOYSA-N 307.398 -0.697 30 20 DBED C#CC1(O)CN(C(=O)[C@H]2CC=CC[C@H]2C(=O)N2CCOCC2)C1 890524552 QDMYBUWFVUXSCW-KGLIPLIRSA-N 318.373 -0.366 30 20 DBED C#CC[C@H](CO)NC(=O)NC[C@@H](C(C)C)N1CCN(C)CC1 913998924 SMKLHIFTDMQIKK-CABCVRRESA-N 310.442 -0.058 30 20 DBED Cn1c(S)nnc1[C@@H]1CCCN(C(=O)NCC#CCO)C1 923764148 HLAMISAJGPKSFE-SNVBAGLBSA-N 309.395 -0.012 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCOC[C@H]1COC)[C@@H]1CCCO1 930466953 MYGSKWZIDMQKKA-AGIUHOORSA-N 310.350 -0.843 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)Cc3nc[nH]n3)C2)nc1 938372457 HXLQVEQNBXPJIT-LBPRGKRZSA-N 324.344 -0.246 30 20 DBED C=CCN1CC[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)[C@@H](C)C1 943235400 ZNCRPYOEYQFULB-WCQYABFASA-N 320.393 -0.290 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)[C@@H]2[C@H]3COC[C@H]32)C1 944725618 IPMUNKKCZTZTGQ-FHUSYTEZSA-N 307.350 -0.618 30 20 DBED C[C@H]1C[C@@H](NC(=O)CN2CCCS2(=O)=O)CCN1CC#N 947365526 OLSLPLPWDZRJHZ-RYUDHWBXSA-N 314.411 -0.485 30 20 DBED COc1cnc(C(=O)NC[C@@H]2CCN2C(=O)[C@H](C)C#N)nc1 951316457 RDIZLOVWUDEOMM-ZJUUUORDSA-N 303.322 -0.024 30 20 DBED CN(C(=O)c1ccc(O)nn1)C1CN(C(=O)C#CC2CC2)C1 953656739 CIPYOAAGAKKDHW-UHFFFAOYSA-N 300.318 -0.122 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2ncc[nH]2)C1 954229180 UIRGWTLKIQFSRV-ZDUSSCGKSA-N 315.377 -0.210 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@](C)(NC(=O)c2nccnc2N)C1 956778102 DSIODRARNAJVHF-OTYXRUKQSA-N 302.338 -0.061 30 20 DBED Cc1c(C(=O)NC[C@@H]2CN(CC#N)C[C@H]2O)nn2c1OCCC2 958121439 GNDGGJICAOAGOB-VXGBXAGGSA-N 319.365 -0.480 30 20 DBED C=CCN1C[C@H](CNC(=O)c2cn3c(n2)COCC3)[C@@H](O)C1 958179214 JZNRJQSNGYPQQA-AAEUAGOBSA-N 306.366 -0.378 30 20 DBED C=CCCN1C[C@@H](O)[C@@H](CNC(=O)c2ccoc2CC(N)=O)C1 958349179 FWKYLUIUADLIHP-WCQYABFASA-N 321.377 -0.094 30 20 DBED CC#CCN1C[C@@H](O)[C@H](CNC(=O)c2cccc(C(N)=O)n2)C1 958736887 VLRHYLIOYOTKJC-BXUZGUMPSA-N 316.361 -0.774 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cn(C)cn1 960248349 SXGBZKCYODWLNT-WCFLWFBJSA-N 317.349 -0.368 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)c1cnccn1 964065422 INBYDHZDNKXSKD-WDEREUQCSA-N 303.322 -0.407 30 20 DBED C#CCCN1CC[C@H](C)[C@@H](NC(=O)CN2CCN(C)C(=O)C2)C1 967036214 VTOOOHRZNBGKPC-GJZGRUSLSA-N 320.437 -0.390 30 20 DBED CCN(C(=O)[C@H]1CC(=O)N(C)C1)C1CN(C(=O)[C@@H](C)C#N)C1 968047460 RBGNFEQCRHNYBA-QWRGUYRKSA-N 306.366 -0.316 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CN(CC(N)=O)CC[C@@H]2C)nn1 968404440 FBUMOMQEXGLFSB-QWRGUYRKSA-N 306.370 -0.610 30 20 DBED C#CCCN1CC[C@H](C)[C@@H](NC(=O)CN2C(=O)CCC2=O)C1 968631661 INBULUFZRKNTCJ-STQMWFEESA-N 305.378 -0.015 30 20 DBED C=C(C)CN[C@@H]1CCN(C(=O)[C@@H]2CCN(C)S2(=O)=O)C1 970240141 WKFZJYSFEDAHOS-NEPJUHHUSA-N 301.412 -0.213 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)c3cnnn3C)[C@@H]2C1 971988307 BZYHGHSFQXNUSE-CKYFFXLPSA-N 302.338 -0.352 30 20 DBED N#CCN1CCO[C@@]2(CCN(C(=O)CC3OCCCO3)C2)C1 972351328 FAMIKDAUKUUMMG-HNNXBMFYSA-N 309.366 -0.034 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]1CN(C)C(=O)C1CS(=O)(=O)C1 977758494 LXMZMWPEBPGWBW-GXSJLCMTSA-N 313.379 -0.750 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H]2[C@@H]3CN([C@H]4CCNC4=O)C[C@H]23)c1 977973482 HCLJAWOFRMXPTO-FMSGJZPZSA-N 313.361 -0.318 30 20 DBED C#CCN1C[C@@H]2CC[C@@H](NC(=O)CN3C(=O)CCC3=O)C[C@H]2C1 980245756 OJKSYUZKMBKEOO-MELADBBJSA-N 317.389 -0.015 30 20 DBED C#CCN[C@H]1C[C@@H](C)N(C(=O)c2coc(S(N)(=O)=O)c2)C1 989058368 VHJZTEDNUVVHFU-KOLCDFICSA-N 311.363 -0.247 30 20 DBED C#CCN1CCC(C(=O)N2C[C@H](NCC(N)=O)C[C@@H]2C)CC1 989828451 DCLHQPLMQLKDSR-GXTWGEPZSA-N 306.410 -0.604 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@H](NC(=O)C3CC3)[C@@H](O)C2)[nH]1 991196559 VVIGQSYPVPOBQU-AAEUAGOBSA-N 302.334 -0.012 30 20 DBED C#Cc1ccc(C(=O)N2CC(NC(=O)[C@H]3CCNC3=O)C2)cn1 997414398 CLQILMRJDTVJGK-ZDUSSCGKSA-N 312.329 -0.860 30 20 DBED C#Cc1cncc(C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)C(N)=O)c1 999883055 RHYQVNGKZQFOGY-AGIUHOORSA-N 312.329 -0.590 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H]2C[C@@H]3CN(C(=O)C(N)=O)C[C@@]3(C1)O2 1001668049 CSHZRBCQZJTDLP-UVWXRNBGSA-N 321.377 -0.488 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@H](CNC(=O)C3=COCCO3)[C@H]2C1 1008742915 JXURJBJYTYGXKI-KKOKHZNYSA-N 305.334 -0.145 30 20 DBED Cn1cc(C(=O)N2CCN(C(=O)C#CC3CC3)CC2)n(C)c1=O 1011111789 TVENTLLVMSWHDW-UHFFFAOYSA-N 316.361 -0.578 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)C(N)=O)[C@H]2C)cn1 1012018315 ZSMMUDUWEHRRPT-JOYOIKCWSA-N 300.318 -0.733 30 20 DBED Cn1nnc(CN2C[C@@H]3CC[C@H](C2)N3C(=O)C#CC2CC2)n1 1017541185 TWIRULSQVLEASE-BETUJISGSA-N 300.366 -0.201 30 20 DBED C=CCn1cc(C(=O)N[C@H]2C[C@H](N[C@@H]3CCNC3=O)C2)nn1 1020699981 CIFMJUCJLWISFN-GMTAPVOTSA-N 304.354 -0.797 30 20 DBED N#CCN1CC[C@H]2[C@@H](CCCN2C(=O)C2CS(=O)(=O)C2)C1 1021595629 CKUVQLSDCZJLRS-AAEUAGOBSA-N 311.407 -0.133 30 20 DBED C#CCCN1CCC[C@@H](CNC(=O)c2cn(CC(N)=O)nn2)C1 1023763597 UXQPMLODWABMFK-LBPRGKRZSA-N 318.381 -0.772 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2CCCCN2CC(=O)NC)nn1 1024696088 FDLFEXAHKAHAKS-GFCCVEGCSA-N 320.397 -0.206 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)C(C)(C)c2cnc[nH]2)C1 1024784600 VKRCZLWCHDBBID-HBNTYKKESA-N 319.365 -0.465 30 20 DBED C#CCN1CCC[C@@H]1CNC(=O)c1nc(O)nc(O)c1OC 1028257969 JXTCOBFJWVESSM-SECBINFHSA-N 306.322 -0.276 30 20 DBED Cn1nnc(CNC[C@H]2CCCN2C(=O)c2c[nH]c(C#N)c2)n1 1034911397 ATINMNAHMYELAG-GFCCVEGCSA-N 314.353 -0.196 30 20 DBED CC[C@@H]1CN(C(=O)c2cnc(O)n(C)c2=O)CC[C@H]1NCC#N 1037901760 DBBKDTPFVTXLIO-ZYHUDNBSSA-N 319.365 -0.160 30 20 DBED C=CCCn1cc(C(=O)NC[C@@H]2CCN2[C@@H](CC)C(N)=O)nn1 1038790173 OQSKQEJFLGJRAO-AAEUAGOBSA-N 320.397 -0.078 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CCC[C@H](C1)N2Cc1nc(=O)n(C)[nH]1 1039531484 PUEREZCNMNJJCI-UTUOFQBUSA-N 318.381 -0.167 30 20 DBED C=CCO[C@H](C)C(=O)NC[C@@]1(O)CCN(C(=O)CCOC)C1 1040160669 HDPAJNFGLIEYTF-DOMZBBRYSA-N 314.382 -0.306 30 20 DBED CCc1n[nH]cc1C(=O)NC[C@]1(O)CCN(C(=O)[C@H](C)C#N)C1 1040262770 JILVXMWHZIELGU-MEBBXXQBSA-N 319.365 -0.175 30 20 DBED C#CCN1CCC[C@@]2(CCN(C(=O)Cn3ncn(C)c3=O)C2)C1 1040271130 QUROIKZQNXGYPZ-MRXNPFEDSA-N 317.393 -0.471 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)C2=COCCO2)C1 1040764793 ZEYCBIWMXKEOTD-HZMBPMFUSA-N 309.322 -0.886 30 20 DBED Cc1cc(C#N)nc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCCO3)C2)n1 1040898432 LKTXCKXXONMBPV-UPJWGTAASA-N 317.349 -0.499 30 20 DBED N#Cc1nccnc1N1C[C@@H](O)[C@H](NC(=O)Cc2ccc[nH]2)C1 1041059091 JDWYXYQGTGCNOR-CHWSQXEVSA-N 312.333 -0.415 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)C[C@@H]2CCN(C)C2=O)C1 1041963611 VLLBVBVDVRNTCN-LBPRGKRZSA-N 323.393 -0.490 30 20 DBED C=C1CCC(C(=O)N2CC(O)(CNC(=O)CC(=O)NC)C2)CC1 1042728218 YMUHQSWEISRPEE-UHFFFAOYSA-N 323.393 -0.442 30 20 DBED O=C(C#CC1CC1)NCC1(O)CN(C(=O)COCC(F)F)C1 1042964498 HEQLWAOOLHISBU-UHFFFAOYSA-N 316.304 -0.629 30 20 DBED N#Cc1cccnc1N1C[C@H](O)[C@H](NC(=O)CN2CCCC2)C1 1043971287 FREZXOHPFSXLKZ-KGLIPLIRSA-N 315.377 -0.285 30 20 DBED C#CCCN1CC(N(C)C(=O)c2nc(O)nc(O)c2OC)C1 1044182725 YAIFKACJWZRTDJ-UHFFFAOYSA-N 306.322 -0.324 30 20 DBED C#CCN1CCC(C(=O)N(C)C2CN([C@H](CC)C(N)=O)C2)CC1 1044336123 YFINVSXOVTUJNA-OAHLLOKOSA-N 320.437 -0.262 30 20 DBED N#CCSCC(=O)N1CC(O)(CNC(=O)Cc2cnoc2)C1 1045107356 YTBHHAPEOPWJNV-UHFFFAOYSA-N 324.362 -0.837 30 20 DBED NC(=O)CN1CC[C@H](N2CCN(C(=O)C#CC3CC3)CC2)C1 1046027098 HRZHOFWOFMZPNP-AWEZNQCLSA-N 304.394 -0.896 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CN(C)C[C@@H]2C)C1 1046684992 OEMDPJLQJCNCEA-UONOGXRCSA-N 321.421 -0.323 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCS(=O)(=O)C2)C1 1047448299 MHFHQGICZKLEMH-SRVKXCTJSA-N 302.396 -0.889 30 20 DBED C=CCOCC(=O)N(C)[C@H]1CN(C(=O)c2ccnn2C)C[C@@H]1O 1048554976 MMVRSWKYBFCYIK-STQMWFEESA-N 322.365 -0.734 30 20 DBED C=C[C@@](C)(O)CC(=O)N(C)[C@H]1CN(C(=O)c2ccc[nH]2)C[C@@H]1O 1048757666 LTLXRGHDOYLQAS-HEHGZKQESA-N 321.377 -0.015 30 20 DBED C#CCCN1CCOC[C@@H]1CNC(=O)[C@H]1CCCN1C(C)=O 1051262563 HFUJTDVRXPZSKY-LSDHHAIUSA-N 307.394 -0.162 30 20 DBED N#Cc1cncc(N2CC[C@H](NC(=O)c3cnon3)[C@H](O)C2)n1 1051718418 OPPQFNOGXDLDLL-GXSJLCMTSA-N 315.293 -0.899 30 20 DBED C#CCOCCC(=O)N1C[C@H](C)[C@H](CNC(=O)c2cnon2)C1 1052597736 AQWSTWBFXGJLFJ-NWDGAFQWSA-N 320.349 -0.066 30 20 DBED N#CCN1CC2(C1)CN(C(=O)[C@H]1CCCN(C(N)=O)C1)CCO2 1053332023 INZATZGOEPWOOE-LBPRGKRZSA-N 321.381 -0.786 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCOC2(C1)CN([C@H](C)C(N)=O)C2 1053437150 MMAZXUFZSVOWHB-UPJWGTAASA-N 323.393 -0.636 30 20 DBED CC(=O)N1CCC[C@H]1C(=O)N1CCOC2(CN(CC#N)C2)C1 1053513633 PWMLEXYXCBSJRK-ZDUSSCGKSA-N 306.366 -0.566 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2CCC3(CN(CCO)C3)O2)nn1 1053676582 FUKAWNKAASIVOV-GFCCVEGCSA-N 321.381 -0.580 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)c3cnn(CC)n3)CO2)C1 1053794932 BAYUGJAEGSEXMS-GFCCVEGCSA-N 303.366 -0.106 30 20 DBED C=CCN1CC2(C[C@@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)CO2)C1 1053924291 PTTVAPTZTXRAPG-GRYCIOLGSA-N 309.366 -0.835 30 20 DBED C=CCCC(=O)N[C@]1(CO)CCCN(C(=O)[C@H]2CCNC2=O)C1 1055825461 IOQAOXQIWBWFDF-BLLLJJGKSA-N 323.393 -0.442 30 20 DBED C[C@@H](C#N)C(=O)N[C@@]1(CO)CCCN(C(=O)Cc2ncc[nH]2)C1 1056098041 YPFUESDWUKPRLL-NHYWBVRUSA-N 319.365 -0.418 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCC[C@H]2CN(C(=O)CC(N)=O)C[C@H]21 1056681222 BQVUHZCABMKMLK-RWMBFGLXSA-N 323.393 -0.098 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)[C@H](C)COC 1057193646 NFJXQQLWJZJWIN-GFCCVEGCSA-N 302.371 -0.591 30 20 DBED C#CCCCCC(=O)N(CCO)CCNC(=O)C1(C(N)=O)CC1 1057388409 PVFXPTSXLMDDAW-UHFFFAOYSA-N 323.393 -0.617 30 20 DBED C#CCNC(=O)CC(=O)N(CCO)CCNC(=O)/C(C)=C/C 1057390518 DHXDKXAYVYPRQZ-LFYBBSHMSA-N 309.366 -0.971 30 20 DBED C#CCNC(=O)CC(=O)N(CCO)CCNC(=O)CCC=C 1057390842 SBIAMVCAIPFRQU-UHFFFAOYSA-N 309.366 -0.971 30 20 DBED C#CCNC(=O)CC(=O)N(CCO)CCNC(=O)C1(CC)CC1 1057395051 FQTJRCDLXWFYAL-UHFFFAOYSA-N 323.393 -0.747 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)C[C@H](C)n1ccnc1 1057609373 GTQIFRSLJXORRE-STQMWFEESA-N 321.381 -0.069 30 20 DBED C=CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)[C@@H]1CCOC1 1057921669 MZJKDMPTAXREEF-QWHCGFSZSA-N 314.382 -0.449 30 20 DBED C#Cc1ccc(C(=O)N(CCO)CCNC(=O)CSC)cn1 1058238903 WWUNPANMQRYTGL-UHFFFAOYSA-N 321.402 -0.023 30 20 DBED Cn1ncc(C(=O)N[C@@H]2CCN(c3cnc(C#N)cn3)C2)c1N 1058344117 RHZFIGNNSOZSQF-SECBINFHSA-N 312.337 -0.327 30 20 DBED C=C[C@H](C)[C@H](C)C(=O)N(CCO)CCNC(=O)c1ncn(C)n1 1058435282 HPLVZOOAOBGIHP-RYUDHWBXSA-N 323.397 -0.176 30 20 DBED N#Cc1cnc(N2CCC3(CC2)C[C@H]3NC(=O)C(N)=O)cn1 1058645811 QMEAAQLTEQUBKQ-SNVBAGLBSA-N 300.322 -0.691 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)CCCn1ccnc1 1058661247 RRAZZXYTSQUHJM-ZDUSSCGKSA-N 321.381 -0.240 30 20 DBED CS(=O)(=O)CC(=O)N1CC[C@H](Nc2ccc(C#N)nn2)C1 1058848122 ZCIORIFKWNTSAH-JTQLQIEISA-N 309.351 -0.594 30 20 DBED N#Cc1nccnc1N[C@H]1C[C@@H](NC(=O)[C@H]2CC[C@@H]2C(N)=O)C1 1059784730 XXIFWLUMOSLYTO-VLEAKVRGSA-N 314.349 -0.081 30 20 DBED CC(C)(C)C#CC(=O)N1CCC2(CC1)CN(C(=O)C(N)=O)C2 1061111679 GVRQULXMXFKFHE-UHFFFAOYSA-N 305.378 -0.028 30 20 DBED Cn1cncc1C(=O)N1CCOC[C@@H]1CNC(=O)C#CC1CC1 1061573510 UNULTENWRBEVEW-ZDUSSCGKSA-N 316.361 -0.209 30 20 DBED C#CCOCCC(=O)NC[C@@H]1COCCN1C(=O)c1cc[nH]n1 1061580825 GPTBLAXRYDGFJX-GFCCVEGCSA-N 320.349 -0.593 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)Cn1cccn1 1061845094 CIQYZWVWYSXMDP-VXGBXAGGSA-N 305.338 -0.614 30 20 DBED CN(C[C@H]1CCN(C(=O)CC(N)=O)C1)c1ccc(C#N)nn1 1062098682 AAVXQNCIRKOMNW-SNVBAGLBSA-N 302.338 -0.492 30 20 DBED C#CCOCCC(=O)NC[C@H]1CCCCN1C(=O)c1nc[nH]n1 1062303681 FFMSHBITZLLMJM-GFCCVEGCSA-N 319.365 -0.045 30 20 DBED CC[C@H]1CN(C(=O)C(N)=O)CC[C@@H]1Nc1cncc(C#N)n1 1064413700 YYBAGCCCTVTVRF-ONGXEEELSA-N 302.338 -0.127 30 20 DBED C=C[C@](C)(O)CC(=O)NC1(CNC(=O)[C@H]2C[C@H]2C(N)=O)CCC1 1064559519 LHPCAEKKBWDMHL-ZETOZRRWSA-N 323.393 -0.410 30 20 DBED CNC(=O)CCCC(=O)N1CCO[C@H](CNC(=O)[C@H](C)C#N)C1 1065068543 KTBKJNFGAIKYAU-VXGBXAGGSA-N 324.381 -0.594 30 20 DBED CCc1nc(C#N)cc(NC[C@@H]2CN(C(=O)C(N)=O)C[C@@H]2C)n1 1065900643 MQBUFBBSEIGACS-VHSXEESVSA-N 316.365 -0.098 30 20 DBED C#Cc1ccc(C(=O)N(C)CCCN(C)C(=O)CC(N)=O)nc1 1067048500 JUSYLKUHYJIGRA-UHFFFAOYSA-N 316.361 -0.141 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@@H](CNC(=O)c3cn[nH]c3)C2)nc1 1067652020 SYKRQFPHTASLEX-QWHCGFSZSA-N 312.333 -0.097 30 20 DBED N#Cc1ccc(N2C[C@H](CNC(=O)c3cc[nH]n3)[C@@H](O)C2)nn1 1067652768 YRQZPQUWVJIAOC-CABZTGNLSA-N 313.321 -0.702 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](CNC(=O)c3cc[nH]c3)C2)nn1 1067696303 RTKONHKVNJPXNH-YPMHNXCESA-N 312.333 -0.097 30 20 DBED N#Cc1ccc(NCC2CC(NC(=O)Cn3ncnn3)C2)nc1 1067866579 MRMYCXGGXWJDFY-UHFFFAOYSA-N 312.337 -0.053 30 20 DBED Cn1nncc1C(=O)NCC1[C@H]2CN(c3ccc(C#N)nn3)C[C@H]12 1068172913 YRKVFELQADUNPF-VXGBXAGGSA-N 324.348 -0.411 30 20 DBED C=CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2ncn(C)n2)C1 1069921556 NFJWEWZXJTUIJZ-NEPJUHHUSA-N 316.369 -0.362 30 20 DBED CC(C)(C)C#CC(=O)N[C@@H]1CCCN(C(=O)Cn2cnnn2)C1 1070412304 TZMYBVCQVIIZKZ-GFCCVEGCSA-N 318.381 -0.170 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CN(C(=O)COCC=C)C[C@H]1C 1071809864 ZTKLURBJVIOWIE-OLZOCXBDSA-N 321.377 -0.708 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)CC2CC2)C1 1071922730 XDZGYBSOGWEAII-YPMHNXCESA-N 305.378 -0.111 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)c2ncc[nH]2)C1 1071935588 DOIPMBCYYPPCHZ-MNOVXSKESA-N 317.349 -0.874 30 20 DBED C#CCCN1C[C@@H](NC(=O)CN2C(=O)CNC2=O)CC[C@H]1C 1072054275 AGLIPBJBXOABEY-NEPJUHHUSA-N 306.366 -0.469 30 20 DBED C#CCOCCC(=O)N1C[C@@H](NC(=O)c2[nH]nnc2C)[C@H](C)C1 1072094066 OWJOZEKUMKNKHW-ZYHUDNBSSA-N 319.365 -0.270 30 20 DBED N#CCN1CCC2(C1)CN(C(=O)[C@H]1CCc3nn[nH]c3C1)C2 1073124708 ZSNCKHIUQGNNRU-NSHDSACASA-N 300.366 -0.033 30 20 DBED C=CCN1CCO[C@@H]2CCN(C(=O)CN3CCOCC3=O)C[C@@H]21 1074265830 BAMLKKOJUHLJCH-UONOGXRCSA-N 323.393 -0.667 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H](C)CCNC(=O)c1nccnc1N 1075976505 FLLDFGYGVGPQKD-QWRGUYRKSA-N 319.365 -0.278 30 20 DBED C#CCOCCC(=O)NCC[C@H](C)NC(=O)C[C@@H]1CCNC1=O 1076505405 UNCIRZUZQQLRPF-STQMWFEESA-N 323.393 -0.437 30 20 DBED C#CCOCCC(=O)NCC[C@H](C)NC(=O)CCc1cnn[nH]1 1076505845 BKIBFKRAWCTMAY-LBPRGKRZSA-N 321.381 -0.212 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CN3CC4CC3(CO2)C4)C1 1077418332 NVJHWTJNWQIFCN-NTTUHNMPSA-N 307.394 -0.803 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3cnn(C)c3C2)C1 1077573850 SYTLDMKNRARUGX-UXIGCNINSA-N 302.378 -0.681 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@@H]1CN2CC3CC2(CO1)C3 1080164637 KRHWNKQFWYSOAU-JCLLTIBYSA-N 304.394 -0.190 30 20 DBED CCN(C(=O)C(=O)NCC1CC1)C1CN(C(=O)[C@H](C)C#N)C1 1080372033 ZAWWLNJFIPDXRJ-SNVBAGLBSA-N 306.366 -0.268 30 20 DBED C#CCCCCC(=O)NC[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1O 1081416798 KJPJXFQUOCRCJW-VXGBXAGGSA-N 319.365 -0.453 30 20 DBED C=CCCCC(=O)N1C[C@H](CNC(=O)c2cn(C)nn2)[C@@H](O)C1 1081452220 FDAREVOUIDSWBP-AAEUAGOBSA-N 321.381 -0.280 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)c2cn(C)cn2)C[C@H]1O 1081463034 IYFLVCDBEGFBLE-TZMCWYRMSA-N 318.377 -0.371 30 20 DBED C#CCOCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C#CC2CC2)C1 1081470478 AWWPBDADYJHSIM-LSDHHAIUSA-N 318.373 -0.625 30 20 DBED C=CCCOCC(=O)NC[C@@H]1CN(C(=O)COCC)C[C@H]1O 1081566139 BOXSIYSEXUEJKF-CHWSQXEVSA-N 314.382 -0.449 30 20 DBED C=CCCN1C[C@@H](NC(=O)c2cn(C)c(=O)n2C)[C@H](OC)C1 1082387401 CDFMEXZUZLLUQY-DGCLKSJQSA-N 308.382 -0.271 30 20 DBED CNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cc(C#N)c[nH]1 1083040149 YVLACYIJAFHBKB-QWHCGFSZSA-N 317.349 -0.842 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CO[C@H]1CCOC1 1083080698 AZCOAPBQGJSDHH-SOUVJXGZSA-N 308.378 -0.273 30 20 DBED Cn1cc(C(N)=O)cc1C(=O)N1CCO[C@@H]2CN(CC#N)C[C@@H]21 1083131759 LLDYUWLSFLNLNH-QWHCGFSZSA-N 317.349 -0.827 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)C2CCN(CC(F)F)CC2)C1 1083729623 SOYXKJWZNLRDGX-OLZOCXBDSA-N 315.364 -0.242 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)Cc2nonc2C)C1 1083905061 LYPLDZOYMPHFGM-MNOVXSKESA-N 300.746 -0.166 30 20 DBED Cn1cc(-c2ccc(C(=O)N[C@@H]3CN(CC#N)C[C@@H]3O)o2)cn1 1083931158 IRAGKJJYDUZMTQ-NEPJUHHUSA-N 315.333 -0.021 30 20 DBED Cn1c(O)ncc(C(=O)N[C@@H]2CCCC[C@H]2NCC#N)c1=O 1085294610 VEZMCUODPHJHHQ-GHMZBOCLSA-N 305.338 -0.360 30 20 DBED Cn1cc([C@@H]2CN(C(=O)c3ccn(C)n3)C[C@H]2NCC#N)cn1 1087009673 SBXQTJZWTDCEIC-GXTWGEPZSA-N 313.365 -0.125 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCN(CC(=O)N(C)C)[C@@H]2C)nn1 1088906723 JIHUHOBLLFZLLH-NEPJUHHUSA-N 320.397 -0.255 30 20 DBED COC[C@H](C)C(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@H]1O 1090387043 FVZPOJDWXZZBSU-CYZMBNFOSA-N 304.350 -0.099 30 20 DBED C#CCN1CC[C@H](NC(=O)Cc2ccccc2C(N)=O)[C@H](O)C1 1090482011 INRJERYOWHPYBS-LSDHHAIUSA-N 315.373 -0.487 30 20 DBED Cn1cnc2ccc(C(=O)N[C@H]3CCN(CC#N)C[C@@H]3O)nc21 1090573521 NDGRBKVFLHTKEN-GWCFXTLKSA-N 314.349 -0.343 30 20 DBED N#CCN1CC[C@H](NC(=O)CN2CCCCCC2=O)[C@H](O)C1 1090791766 VUJHRTUPKPZHLZ-QWHCGFSZSA-N 308.382 -0.536 30 20 DBED C=CCN1CC[C@@H](NC(=O)Cn2c(C)csc2=O)[C@@H](O)C1 1090797154 UYTBCKUXBYBNPF-NEPJUHHUSA-N 311.407 -0.044 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(c2nccnc2F)C[C@@H]1O 1091092261 FKPVKNFSDBOVGN-ISTVAULSSA-N 310.329 -0.392 30 20 DBED C[C@@]12CN(CC#N)C[C@@H]1CN(C(=O)[C@H]1CCS(=O)(=O)C1)C2 1091830959 AVVFAZHAZPTIJP-SCRDCRAPSA-N 311.407 -0.275 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1CNC(=O)c1cn(C)c(=O)nc1O 1093191933 VCHWSMDHZZTUBP-NXEZZACHSA-N 305.338 -0.693 30 20 DBED CNC(=O)NCC(=O)N[C@H]1[C@@H]2CN(c3ccc(C#N)cn3)C[C@@H]21 1093360954 KOTBWRXFPXLSPM-YABSGUDNSA-N 314.349 -0.567 30 20 DBED Cc1cc(=NCCNC(=O)[C@@H]2CCCS2(=O)=O)c(C#N)c[nH]1 1093670306 VTMOGUCAPWKHJL-ZDUSSCGKSA-N 322.390 -0.211 30 20 DBED N#Cc1cncc(NCCNC(=O)C[C@H]2CCCS2(=O)=O)n1 1094011271 CTZQQLSRIAKFRV-LLVKDONJSA-N 323.378 -0.156 30 20 DBED Cc1cnoc1C(=O)NCc1cn(C2CN(CC#N)C2)nn1 1094331917 HJKIDJQLEAEGFY-UHFFFAOYSA-N 301.310 -0.115 30 20 DBED C#CCN1CCN(C(=O)c2cc(C)no2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094606022 GEVWGPVCLHNMFX-NWDGAFQWSA-N 323.374 -0.460 30 20 DBED C=CCCN1CC(N2C[C@@H](NC(=O)C3=COCCO3)CC2=O)C1 1094699700 SUEWXGZCANXNHB-LBPRGKRZSA-N 321.377 -0.148 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)C[C@@H]3CCN(C)C3)CC2=O)C1 1094809956 RTSXSBCLHOBKGK-KBPBESRZSA-N 320.437 -0.085 30 20 DBED N#Cc1nccnc1N1CC[C@H](NC(=O)CCn2ccnn2)C1 1096363559 YTVZELRZDOCUBI-NSHDSACASA-N 312.337 -0.275 30 20 DBED C[C@H](CNC(=O)[C@H]1CCCC(=O)N1)Nc1cncc(C#N)n1 1098117777 PVWLMRYUVLNHKO-MWLCHTKSSA-N 302.338 -0.066 30 20 DBED Cc1cc(C#N)nc(N[C@H](C)CNC(=O)[C@@H]2CCNC2=O)n1 1098211007 CJDQAIIGCXOKQG-MWLCHTKSSA-N 302.338 -0.291 30 20 DBED C#CCN(CCO)C1CCN(C(=O)c2cncnc2O)CC1 1098401569 YGQPLAPIJVXFSN-UHFFFAOYSA-N 304.350 -0.286 30 20 DBED Cc1ncnc(O)c1C(=O)N1CCC(N(CC#N)CCO)CC1 1098459013 QTAGMEFNIDVTNN-UHFFFAOYSA-N 319.365 -0.087 30 20 DBED C=CCOCC(=O)N1CC[C@H](CNc2nccn3nnnc23)C1 1098513632 SERSPUJZEHITOG-LLVKDONJSA-N 317.353 -0.018 30 20 DBED CC(C)(C)C(=O)NCC(=O)N1CCC(N(CC#N)CCO)CC1 1098558422 BROGVDSEKIDQOO-UHFFFAOYSA-N 324.425 -0.042 30 20 DBED Cn1cnc(C(=O)N2CC[C@H](n3cc(CNCC#N)nn3)C2)c1 1098654716 BJRGCAWJMROMNS-LBPRGKRZSA-N 314.353 -0.288 30 20 DBED C=CCNCc1cn([C@H]2CCN(C(=O)[C@@H](C)CC(N)=O)C2)nn1 1098696982 AZKRINPCJMRGTQ-AAEUAGOBSA-N 320.397 -0.161 30 20 DBED C[C@H](CCNC(=O)[C@H]1CCC(=O)N1C)N=c1cc[nH]c(C#N)n1 1099653673 QEPNNMRUOSTENZ-GHMZBOCLSA-N 316.365 -0.302 30 20 DBED C=CCCCN1CC[C@@H](NC(=O)CS(C)(=O)=O)[C@H](O)C1 1099719318 ZXMHMSZHDQZLLJ-VXGBXAGGSA-N 304.412 -0.451 30 20 DBED C=CCCN1CC[C@H](NC(=O)C(=O)NCC(F)(F)F)[C@H](O)C1 1100053926 RJQIGPUJKYWIMR-VHSXEESVSA-N 323.315 -0.208 30 20 DBED CN1CCC[C@@H]1C(=O)NCC1CC(NCC(=O)NCC#N)C1 1100186040 XJBLYCQTCKVRBH-WXRRBKDZSA-N 307.398 -0.795 30 20 DBED C=CCOCC(=O)NCC1CC(NCC(=O)NC(=O)NC)C1 1100186623 CXPWZTQOYPECKI-UHFFFAOYSA-N 312.370 -0.871 30 20 DBED C=CCNC(=O)CNC1CC(CNC(=O)c2cnnn2C)C1 1100293064 DDNHWRODMXYBMK-UHFFFAOYSA-N 306.370 -0.785 30 20 DBED CCN(CCNC(=O)CNC(=O)NC)c1ccnc(C#N)n1 1100750052 DUTYGPAMLJXUFC-UHFFFAOYSA-N 305.342 -0.780 30 20 DBED C[C@H](NC(N)=O)C(=O)NC[C@@H]1CCN(c2ccc(C#N)nn2)C1 1100969385 UEIGMWNBSQGXGD-UWVGGRQHSA-N 317.353 -0.652 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](C)[C@H](CNC(=O)c2cnn[nH]2)C1 1102118375 BIEVBAWSRWQCNW-IJLUTSLNSA-N 318.381 -0.760 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H]2CC[C@H](C1)N2c1ncccn1 1102193267 FSTXSQQLNLAOEA-BETUJISGSA-N 313.361 -0.204 30 20 DBED Cc1nc(N2CC[C@H](N(C)C(=O)CNC(N)=O)C2)ccc1C#N 1102668037 CJPANKIKMTVCEG-LBPRGKRZSA-N 316.365 -0.033 30 20 DBED COC(=O)NCC(=O)N(C)[C@H]1CCN(c2ccnc(C#N)n2)C1 1102671296 JMHFUIWWRVIRGG-JTQLQIEISA-N 318.337 -0.259 30 20 DBED C#CCOCCC(=O)N1C[C@@H](C)[C@H](CCN[C@H]2CCNC2=O)C1 1104182546 DKTPBCKWIPXBCU-KFWWJZLASA-N 321.421 -0.011 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)[C@]1(C)CCNC1=O 1104818577 BRYFRIPSLUFWFV-ZUZCIYMTSA-N 316.365 -0.445 30 20 DBED CC#CCNCc1cn(C2CN(C(=O)C3=COCCO3)C2)nn1 1105145451 XLAWGWRWGDJXSW-UHFFFAOYSA-N 317.349 -0.338 30 20 DBED C#CCNCc1cn(C2CN(C(=O)Cn3ccnc3C)C2)nn1 1105372509 KMVFCKJLLRJJOR-UHFFFAOYSA-N 313.365 -0.411 30 20 DBED C#CCN1CC(OC2CCN(C(=O)CC(=O)N(C)C)CC2)C1 1105726937 XXFZFTOFQSYFLI-UHFFFAOYSA-N 307.394 -0.210 30 20 DBED CCn1cc(C(=O)NC[C@H](O)CNc2ccc(C#N)nn2)cn1 1105765833 HKLBBGLRUKPERH-GFCCVEGCSA-N 315.337 -0.233 30 20 DBED Cc1cc(CC(=O)NC[C@H](O)CNc2nccnc2C#N)no1 1105766168 QORHPQWDONBVDK-NSHDSACASA-N 316.321 -0.224 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)Cc2cncnc2)nn1 1105806332 VCYZVOBHJNGRJA-GFCCVEGCSA-N 313.321 -0.730 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H](O)CNc2cncc(C#N)n2)cn1 1105910221 SIOMGKINOLAMFT-AWEZNQCLSA-N 322.328 -0.073 30 20 DBED N#Cc1cccnc1NC[C@H](O)CNC(=O)CO[C@@H]1CCOC1 1105973532 YTTCRTCWKJMTRK-CHWSQXEVSA-N 320.349 -0.352 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)Cc2cncs2)nn1 1105993704 RGXPCMOJKYTNCF-JTQLQIEISA-N 318.362 -0.064 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@@H]1CN(C(=O)c2ncc[nH]2)C[C@H]1C 1106091954 MZZLUKSYUHJYDI-FRRDWIJNSA-N 317.393 -0.155 30 20 DBED C[C@@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)[C@@H]1[C@H]2COC[C@H]21 1106529967 PKPQEGHVUKVFSV-KZWBYHQPSA-N 301.350 -0.031 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)[C@H]1CCCC(=O)N1 1106870383 MUXYSRTUDSCDMG-LLVKDONJSA-N 316.365 -0.301 30 20 DBED C#CCNC(=O)CC(=O)NC/C=C/CNc1cnc(C#N)cn1 1107130051 BNTNYCDEIQFGGL-ONEGZZNKSA-N 312.333 -0.428 30 20 DBED CC(C)[C@@H](C(=O)NCc1cn(C2CN(CC#N)C2)nn1)N(C)C 1107180466 SZEIYCLDVNTETR-AWEZNQCLSA-N 319.413 -0.139 30 20 DBED COCCO[C@@H](C)C(=O)NCc1cn(C2CN(CC#N)C2)nn1 1107217233 CCZAWLOQPJDWEM-NSHDSACASA-N 322.369 -0.674 30 20 DBED CC(C)(C(N)=O)C(=O)NC/C=C\CN=c1cc[nH]c(C#N)n1 1107386433 IJHLPKJTQCQUTM-ARJAWSKDSA-N 302.338 -0.634 30 20 DBED C[C@H](CNc1cncc(C#N)n1)NC(=O)[C@@H]1CCCS1(=O)=O 1107773489 RMIFKNSGXURZPK-KOLCDFICSA-N 323.378 -0.158 30 20 DBED Cc1ncnc(O)c1C(=O)NC[C@]1(C)CN(CC#N)CCO1 1108154243 YKUUSHOOLNKPRG-CQSZACIVSA-N 305.338 -0.165 30 20 DBED C=CCCCN1CCO[C@](C)(CNC(=O)[C@H]2CNC(=O)N2)C1 1108169776 XCGMROBYCZCRSM-IUODEOHRSA-N 310.398 -0.159 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)CC1OCCCO1 1108324267 ZTYPEOULEPPLEW-JTQLQIEISA-N 305.338 -0.160 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)C(C)(C)NC(=O)NC)C1 1108417888 KRGCZBHZZPMZBX-OAHLLOKOSA-N 310.398 -0.466 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)[C@H](CC)N(C)C)CC2=O)C1 1108578242 ZVGCPVHNQGHGOS-OCCSQVGLSA-N 306.410 -0.639 30 20 DBED N#Cc1ccc(N2CC[C@@](O)(CNC(=O)c3cocn3)C2)nn1 1111039710 NQGOVSPPSXRJEG-CQSZACIVSA-N 314.305 -0.293 30 20 DBED CSCC(=O)N[C@]12CCC[C@H]1CN(CC(=O)NCC#N)C2 1111580375 SVXKNMPXAOWGEE-FZMZJTMJSA-N 310.423 -0.040 30 20 DBED CN(C)CCC(=O)N1CCO[C@@H](CNc2cncc(C#N)n2)C1 1111961723 GNWVFOAMIYIYLE-ZDUSSCGKSA-N 318.381 -0.061 30 20 DBED Cc1cc(C#N)nc(N2CC[C@@H](NC(=O)CC(N)=O)[C@@H](C)C2)n1 1112396482 WDZAVTKIKMIBBS-JOYOIKCWSA-N 316.365 -0.137 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)c2cnnc(O)c2)CC1 1112991097 FBSSUSXGSQETDW-LLVKDONJSA-N 317.349 -0.922 30 20 DBED CCNC(=O)CCC(=O)N[C@H](C)[C@H](C)N=c1cc[nH]c(C#N)n1 1112998018 BHJCMYPMYOGOCJ-WDEREUQCSA-N 318.381 -0.008 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)c2[nH]c(C)nc2C)CC1 1113355743 LWVAVWVSAJTNQM-LBPRGKRZSA-N 317.393 -0.078 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN([C@@H](CC)C(N)=O)CC1 1113409844 BSSUVHUQVCKMRR-KBPBESRZSA-N 324.425 -0.135 30 20 DBED C[C@@H](CNC(=O)Cn1cnnc1O)N(C)c1nccnc1C#N 1113569288 WPEUNMKQRNCQMZ-VIFPVBQESA-N 316.325 -0.714 30 20 DBED COCC#CCN1CCN(C(=O)[C@H](C)CN2CCOCC2)CC1 1113634418 BXOPSOCBVIPYJT-MRXNPFEDSA-N 323.437 -0.251 30 20 DBED COC[C@@H](OC)C(=O)NC[C@@H](C)N(C)c1cnc(C#N)cn1 1113857572 MCCNWSWCEILKKB-ZYHUDNBSSA-N 307.354 -0.049 30 20 DBED C[C@H](CNC(=O)[C@@]1(C)CCNC1=O)N(C)c1ccc(C#N)nn1 1113872134 JEAWGAORGFVFHY-BMIGLBTASA-N 316.365 -0.185 30 20 DBED N#CCSCC(=O)N[C@H]1[C@@H]2CN(CCN3CCCC3=O)C[C@@H]21 1113899735 SONIOXHORKIGOU-JYAVWHMHSA-N 322.434 -0.088 30 20 DBED COC[C@H](O)CN1C[C@H]2[C@H](NC(=O)c3cc(C#N)c[nH]3)[C@H]2C1 1114103718 ONECHMDVNITDBP-NMKXLXIOSA-N 304.350 -0.446 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@H]2CN(Cc3cncs3)C[C@H]12 1114159455 FQCTXPPPZQSZFM-RYUDHWBXSA-N 318.402 -0.171 30 20 DBED N#CCN1C[C@@H]2C(NC(=O)CNC(=O)c3cscn3)[C@H]2C1 1115083445 KKJCFEXWBJITNR-IUCAKERBSA-N 305.363 -0.557 30 20 DBED COCC#CCN1C[C@@H]2C(NC(=O)C34CCN(CC3)C4)[C@H]2C1 1115123262 MOKHEDOTRXCJHK-KBPBESRZSA-N 303.406 -0.222 30 20 DBED CC(C)[C@@H](CCNC(=O)CNC(N)=O)N=c1cc[nH]c(C#N)n1 1115277326 WBKAAVJBWHAYKR-SNVBAGLBSA-N 319.369 -0.619 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@H]1[C@@H]2CN(Cc3cnn(C)n3)C[C@@H]21 1115332236 LLYOWFZQROJCNF-SCUASFONSA-N 305.382 -0.047 30 20 DBED COCCN1CCN(C(=O)C(=O)N(C)CC(C)(C)C#N)CC1=O 1117973812 HSHFFELNQFJQFW-UHFFFAOYSA-N 324.381 -0.688 30 20 DBED C=CCn1cc(CNC(=O)C2=C(C)OCCS2(=O)=O)nn1 1118092499 HBXNLLAGCPHSII-UHFFFAOYSA-N 312.351 -0.243 30 20 DBED CN(C(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1)C1CC(O)C1 1119016005 ZHIRFZLGHCKAPD-OTTFEQOBSA-N 306.366 -0.833 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C[C@H](C)Nc1nccn2nnnc12 1120093942 SSUSXAIHGVRXJM-QWRGUYRKSA-N 317.353 -0.184 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C[C@@H](C)Nc1ccc2nnnn2n1 1120094047 UYWYJVDUXLTLRO-GHMZBOCLSA-N 317.353 -0.184 30 20 DBED C#CCOCCn1nnnc1N1CCC[C@H](NC(=O)N(C)C)C1 1120161048 XDPMWJLLSKKIPL-LBPRGKRZSA-N 321.385 -0.437 30 20 DBED C[C@@H](CN(C)C(=O)[C@@H]1CCNC1=O)N=c1cc[nH]c(C#N)n1 1120407113 GVRWMCUJMBMBGT-VHSXEESVSA-N 302.338 -0.835 30 20 DBED Cc1ccc(C#N)c(N[C@H](CO)CNC(=O)[C@H](C)NC(N)=O)n1 1121377731 PYBNZVDYGPMKAS-ONGXEEELSA-N 320.353 -0.793 30 20 DBED CCOCC(=O)N(C)C[C@@H](O)CN(C)c1cncc(C#N)n1 1124952867 XVBHBHRCCHHMJB-LBPRGKRZSA-N 307.354 -0.360 30 20 DBED CC(C)(C)[C@H](CNc1cnc(C#N)cn1)NC(=O)CNC(N)=O 1125763055 LCKQYLAJAMBMHG-JTQLQIEISA-N 319.369 -0.041 30 20 DBED C#CCO[C@@H](C)C(=O)NCCNCC(=O)N(CC)CCC#N 1127039177 FGDVSBKCEDSMAO-ZDUSSCGKSA-N 308.382 -0.507 30 20 DBED C#CCO[C@@H](C)C(=O)NCCN[C@@H](C)C(=O)NCC(F)(F)F 1127052044 QBILQONMUZUGCA-UWVGGRQHSA-N 323.315 -0.203 30 20 DBED C=CCNCc1nnc2n1CC[C@@H](NC(=O)CNC(N)=O)CC2 1127939501 WZCRYRPENKRENO-JTQLQIEISA-N 321.385 -0.957 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)CCn1ccccc1=O 1128728613 SUMWILDKRLIGIZ-ZDUSSCGKSA-N 318.377 -0.918 30 20 DBED C=C(C)CCN1C[C@H](n2ccnn2)[C@H](NC(=O)CC(N)=O)C1 1128860694 KXLRJJVBLIZLGY-NEPJUHHUSA-N 306.370 -0.539 30 20 DBED COCC#CCNCCNC(=O)c1cn(-c2cccnc2)nn1 1128914912 PFQRLBANEXRKHR-UHFFFAOYSA-N 314.349 -0.369 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC(=O)NCCN(CC#C)CC1 1131364232 JYBMVBVJGUSMBK-CQSZACIVSA-N 305.378 -0.692 30 20 DBED COCC#CCN1CC[C@]2(C1)CN(C(=O)COC)C[C@H](C)O2 1131617255 RCOZXRPCCSQUNP-HOCLYGCPSA-N 310.394 -0.026 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1C[C@H]1c1ccnn1C 1131637055 XZWBTVJVTNQUNE-JHJVBQTASA-N 317.393 -0.633 30 20 DBED C#CCN1CC[C@@]2(C1)CN(C(=O)COCCOC)C[C@@H](C)O2 1131641438 FIAQWKGWXVTYFY-GDBMZVCRSA-N 310.394 -0.026 30 20 DBED C[C@@H]1Cc2c[nH]nc2[C@H](C(=O)NCCNCC(=O)NCC#N)C1 1132829578 ASLSUBKXODZMCY-ZYHUDNBSSA-N 318.381 -0.579 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCCNCc1nnnn1CCC 1134053134 OBGQFNNJRVRFBK-NEPJUHHUSA-N 308.386 -0.120 30 20 DBED C#CCCN[C@@H](C)C[C@H](C)NC(=O)CN1CCN(C)C(=O)C1 1134787266 JQGGTXQDODDLFD-KBPBESRZSA-N 308.426 -0.343 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)Cc1ncc[nH]1 1135760300 LGZYMIHBJIXBEE-UHFFFAOYSA-N 305.382 -0.141 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)C(C)(C)NC(=O)NC)C1 1150779535 TWQNFOOADLLGMI-LBPRGKRZSA-N 310.398 -0.466 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)[C@H]1CN(C)CCO1 1156125090 HKHQBNPUYFOBLA-CHWSQXEVSA-N 312.414 -0.896 30 20 DBED N#CCNC(=O)CNCCCNC(=O)c1occ2c1CCOC2 1163324859 PGNLTVCZFLLDBO-UHFFFAOYSA-N 320.349 -0.298 30 20 DBED C#Cc1cncc(C(=O)NCCCN[C@H](C)C(=O)NC(N)=O)c1 1166305251 PJPWHXIAQWKWHL-SNVBAGLBSA-N 317.349 -0.644 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)c1cnc(OC)nc1 1170084080 ZSVOGLXZBOXQTA-NSHDSACASA-N 321.381 -0.115 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)c2n[nH]cc2F)[C@H]1C 1179486073 HAVFGVXCBMHLAY-NHCYSSNCSA-N 321.356 -0.121 30 20 DBED C#CCCNCCCCCCNC(=O)[C@@H]1CC(=O)NC(=O)N1 1179696366 VXUZUPCGNNUZER-LBPRGKRZSA-N 308.382 -0.126 30 20 DBED C=CCNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CCCO2)C1 1180817968 WOMNVCLHNRWXAO-NEPJUHHUSA-N 324.381 -0.632 30 20 DBED N#CCSCC(=O)N1CC[C@@H](NCCN2C(=O)CCC2=O)C1 1181124273 QKEZYRJGMJQVNQ-LLVKDONJSA-N 324.406 -0.417 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@@H]1CCN(C(=O)c2cnsn2)C1 1189058827 JVLSUSZQYFUFLH-WDEREUQCSA-N 321.406 -0.178 30 20 DBED CN(CC(=O)NCC#N)[C@@H]1CCN(C(=O)c2cncs2)C1 1189114903 LGDAJBJYLDOQSG-SNVBAGLBSA-N 307.379 -0.071 30 20 DBED Cc1cc(C(=O)N2CC[C@@H](N(C)CC(=O)NCC#N)C2)n[nH]1 1189116288 SZMAYQQCDAPKLS-LLVKDONJSA-N 304.354 -0.496 30 20 DBED C=CCCCN1C[C@@H](O)[C@H](NC(=O)CNC(=O)N2CCCC2)C1 1192861968 JBZJIYZNGLVMAI-ZIAGYGMSSA-N 324.425 -0.081 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2ccnn2C)C[C@H]1O 1192892475 YIKXEPHHBRCMEX-IACUBPJLSA-N 306.366 -0.880 30 20 DBED CN1CC[C@@H](C(=O)N2CC[C@H](N(C)CC(=O)NCC#N)C2)C1 1194002797 ZIDOUBYWDTVCME-OLZOCXBDSA-N 307.398 -0.889 30 20 DBED COc1ccc(COCC(=O)N[C@@H]2CN(CC#N)C[C@H]2O)cn1 1194119356 UHNHIZWRMCQHKV-CHWSQXEVSA-N 320.349 -0.708 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)CS(=O)(=O)CC(C)C)C1 1194185523 YPAMIEQBPWNLBV-CHWSQXEVSA-N 316.423 -0.758 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@@H]1CCN(C(=O)Cn2ccnc2)C1 1194461151 WDIZTAPOEAJXMF-ZIAGYGMSSA-N 317.393 -0.446 30 20 DBED CCO[C@H]1C[C@H]1C(=O)N1CCCN(CC(=O)NCC#N)CC1 1195017017 OCEJMKVYOKDHJE-OLZOCXBDSA-N 308.382 -0.415 30 20 DBED C[C@H](C#N)C(=O)N1CCCN(CCNS(C)(=O)=O)CC1 1195321156 DUMGVRLXMLYIJR-LLVKDONJSA-N 302.400 -0.770 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)CCCC#CC)C1 1195482782 AYGHWLGZFRVQGK-RBSFLKMASA-N 319.405 -0.521 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2[nH]c(C)nc2C)C1 1196229554 XRLSQMNCWLZMHW-VXGBXAGGSA-N 321.381 -0.896 30 20 DBED C#CCNC(=O)[C@H](C)N1CCCN(C(=O)c2cnn[nH]2)CC1 1196401666 SRWLBIGNUJNRFL-NSHDSACASA-N 304.354 -0.910 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(CCOCCOC)C[C@H]1O 1199315411 YOBBMLPEAYKQOS-MGPQQGTHSA-N 316.398 -0.598 30 20 DBED C=CCNC(=O)CNC[C@H]1CN(C(=O)C(F)F)CCCO1 1199623364 JZJZWBLDOJPROL-JTQLQIEISA-N 305.325 -0.239 30 20 DBED C=CCOCC(=O)N1CCCO[C@@H](CNCc2cn(C)nn2)C1 1200109541 WSXDDLDSRXEOLP-AWEZNQCLSA-N 323.397 -0.275 30 20 DBED C[C@H](C#N)C(=O)N1CCCO[C@H](CNCC(=O)NCC2CC2)C1 1200115867 PACKZMGMROTJEY-TZMCWYRMSA-N 322.409 -0.121 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)[C@H]2CC(=O)N(C)C2)CCCO1 1200635054 QJENUCZYCQCELA-UONOGXRCSA-N 307.394 -0.305 30 20 DBED COCC#CCN1C[C@@H](NC(=O)[C@H]2CCN(C)C(=O)C2)[C@H](C)C1 1207722980 WCICUXZSNUZBNM-QLFBSQMISA-N 321.421 -0.059 30 20 DBED N#Cc1c[nH]c(C(=O)N2CCC[C@H](NCC(=O)NC(N)=O)C2)c1 1207749725 LLJHWMGWXTWRBG-JTQLQIEISA-N 318.337 -0.725 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)c2ccnnc2C)C1 1208497994 LAPSMBUNPDOANN-CYBMUJFWSA-N 315.377 -0.271 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)[C@@]2(F)CCOC2)C1 1209242920 QVHGTSFWVPVVAJ-SWLSCSKDSA-N 313.373 -0.002 30 20 DBED C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1N[C@H]1CCN(C)C1=O 1214177087 LSWIWBSWMJZABJ-GRYCIOLGSA-N 310.423 -0.090 30 20 DBED C#Cc1cncc(C(=O)N2C[C@@H](NCC(=O)NC)[C@H](C)C2)c1 1215501820 RAWIGAKPAZVOAO-BXUZGUMPSA-N 300.362 -0.141 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)C[C@H]1C 1216455707 ITOOWMROHJNMPK-GRYCIOLGSA-N 308.382 -0.996 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(Cc2nccn2CC)C[C@@H]1O 1219362066 OSHBMIQZRJZUJN-OLZOCXBDSA-N 308.382 -0.233 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@]23CCCC[C@@H]2C3)C1 1220310484 DXORUBWWIXNXDP-VWPFQQQWSA-N 319.405 -0.523 30 20 DBED C=CCCCN1C[C@H](O)[C@H](NC(=O)c2ccc(C(N)=O)cn2)C1 1221156407 IYQXMOSTGIJPBR-KGLIPLIRSA-N 318.377 -0.078 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@H]2CCN(CC(=O)N3CCC3)C[C@H]21 1221539405 YDIWYTRXRKDOHC-RBSFLKMASA-N 319.405 -0.210 30 20 DBED CC#CCN1CCC(NC(=O)[C@H](C)NS(=O)(=O)CC)CC1 1227480030 BNQPEANGDYHABJ-LBPRGKRZSA-N 315.439 -0.082 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)Cc1nnc(C)o1 1234099083 INRVICOJHCFVPM-LBPRGKRZSA-N 319.365 -0.797 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C[C@H]1CCN1Cc1nc(=O)n(C)[nH]1 1234215717 OXYDXOODZVQXOV-NWDGAFQWSA-N 321.381 -0.821 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[C@H](CF)C2)c1=O 1262052353 RQUYSWMEVABJKK-GFCCVEGCSA-N 324.356 -0.207 30 20 DBED C#CCN(CC)C(=O)C(=O)Nc1cc(C)n(CC(=O)NC)n1 1319907685 IUVBLGGYKPUZIF-UHFFFAOYSA-N 305.338 -0.642 30 20 DBED COC[C@H](C)n1ccc(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)n1 1320599268 QNUGZUTYBAGNKJ-QWRGUYRKSA-N 321.337 -0.220 30 20 DBED C=CCSCCNC(=O)C(=O)N[C@H](C)CS(=O)(=O)CC 1323610439 YYGWVMWVZKRCSV-SNVBAGLBSA-N 322.452 -0.039 30 20 DBED CCOCCS(=O)(=O)NCC(=O)Nc1cnn(CC#N)c1 1323796988 IKKOOUBXVMWQGJ-UHFFFAOYSA-N 315.355 -0.699 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)NCc1nnc2n1CCCC2 1325757199 AZIVXKYRHPADJN-UHFFFAOYSA-N 313.361 -0.284 30 20 DBED C=CCn1cc(CNC(=O)C(=O)NC[C@H]2COC(C)(C)O2)nn1 1326238759 NVWJMSLEHSHBIT-NSHDSACASA-N 323.353 -0.652 30 20 DBED C=CCOCCNC(=O)C(=O)N(CC)[C@@H]1CCS(=O)(=O)C1 1327053228 RETLAZBGICFEQL-LLVKDONJSA-N 318.395 -0.659 30 20 DBED N#CCNC(=O)CNC(=O)C1CCN([C@H]2CCSC2)CC1 1327098583 ZGDGYVKPRJLTOJ-LBPRGKRZSA-N 310.423 -0.040 30 20 DBED C=CCN(C(=O)C(=O)NCc1nnc2n1CCC2)[C@H](C)COC 1328233602 BJUULJRQWNMQKO-LLVKDONJSA-N 321.381 -0.110 30 20 DBED CC#CC[C@H](CO)NC(=O)CCc1nc(-c2nc[nH]n2)no1 1329563600 AHTDPNHAJSDVDE-SECBINFHSA-N 304.310 -0.322 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCCNC2)CCN1C1CC1 1331187534 VPVBJTVUMWCTCJ-TZMCWYRMSA-N 319.409 -0.699 30 20 DBED C=CCOCCn1nnnc1N1CC[C@@H]2NC(=O)CC[C@@H]2C1 1334239377 RRFLANJAKCZDGN-NEPJUHHUSA-N 306.370 -0.019 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2C2OCCO2)CCO1 1335144800 XOHFYWSKIROFDO-GHMZBOCLSA-N 309.322 -0.899 30 20 DBED N#CCSCC(=O)N1CCC(O)(CN2CCOCC2)CC1 1337681307 BKWXIUQYJCWOSU-UHFFFAOYSA-N 313.423 -0.071 30 20 DBED C#CCNC(=O)C1CCN(C(=O)C(=O)NCc2cc[nH]n2)CC1 1340122944 UUZWHZQWIBSREZ-UHFFFAOYSA-N 317.349 -0.986 30 20 DBED CSc1nc(C)c(CCC(=O)NCC(=O)NCC#N)c(O)n1 1341882824 OKKRBDFRRDJGKH-UHFFFAOYSA-N 323.378 -0.099 30 20 DBED COc1cc(C#N)ccc1NC(=O)C(=O)NCc1nncn1C 1342654217 TXCGXVILTPQZOQ-UHFFFAOYSA-N 314.305 -0.050 30 20 DBED CCO[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@@](F)(C#N)C2)[C@H]1OC 1347233845 INDYDGSAROWWGY-ICUOPCATSA-N 313.329 -0.241 30 20 DBED C#CCOCCN(C)C(=O)[C@@H](O)CNC(=O)OC(C)(C)C 1353509985 FYLRKBDTWIHDLP-NSHDSACASA-N 300.355 -0.020 30 20 DBED CN1CCCC[C@H]1CNC(=O)CCn1cc(C#N)c(O)nc1=O 1365137953 NCQZOIIEZKFWCO-LBPRGKRZSA-N 319.365 -0.189 30 20 DBED CCN(CCC#N)C(=O)CN[C@H]1CCN(C(=O)c2cc[nH]n2)C1 1366087829 JIMCQUGKOYBDGK-LBPRGKRZSA-N 318.381 -0.024 30 20 DBED CCN(CCC#N)C(=O)CN[C@@H]1CN(C(=O)COC)C[C@@H]1C 1368733300 RLTNVMVADDVXPT-QWHCGFSZSA-N 310.398 -0.169 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)c2ncccc2O)C1 1380133677 MMNQLXGJACYRIX-BMIGLBTASA-N 318.333 -0.360 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H](C)CNC(=O)CNC(=O)N1CCCC1 1380728578 YQWWKSSWEPBDTM-VXGBXAGGSA-N 323.397 -0.085 30 20 DBED Cc1nc(CC(=O)N[C@@]2(C)CCN(C(=O)[C@@H](C)C#N)C2)n[nH]1 1390209069 MTOGWOWEELTECX-XPTSAGLGSA-N 304.354 -0.078 30 20 DBED COc1ncnc(OC)c1C(=O)N[C@H](C)CNC(=O)[C@@H](C)C#N 1397586788 PAHIBHOOSBMURJ-DTWKUNHWSA-N 321.337 -0.112 30 20 DBED CCOCC(=O)NC[C@]1(O)CCN(C(=O)c2cc(C#N)c[nH]2)C1 1401056462 LTHSUYGSBIKSLF-OAHLLOKOSA-N 320.349 -0.384 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)CCc1ccn(C)n1 1410132957 OBZIBFBVLXRNOG-CMPLNLGQSA-N 307.354 -0.894 30 20 DBED CNC(=O)NCCC(=O)N[C@H](C)CNC(=O)c1c[nH]c(C#N)c1 1410200850 ZPPRSDOPDVSDNZ-SECBINFHSA-N 320.353 -0.560 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@@H]1CCN(C(=O)c2ccc(=O)n(C)n2)C1 1427523409 ZHIGRCQHNGELOI-WDEREUQCSA-N 317.349 -0.387 30 20 DBED CC(C)[C@H](CNC(=O)c1cc(=O)n(C)cn1)NC(=O)[C@@H](C)C#N 1431270375 QOLMFRLXWZSLLC-JQWIXIFHSA-N 319.365 -0.189 30 20 DBED CCN1CCO[C@H](C(=O)N(C)CCN(C)C(=O)[C@@H](C)C#N)C1 1433182393 TXNIRGIWNJMJGM-STQMWFEESA-N 310.398 -0.216 30 20 DBED Cn1cc(NC(=O)CCn2cc(C#N)c(O)nc2=O)ccc1=O 1433619377 LYQFPWIEUQHPQM-UHFFFAOYSA-N 315.289 -0.452 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H](C)CNC(=O)CN1CCCNC1=O 1442833425 KPGNPAIXXDTVBC-GHMZBOCLSA-N 309.370 -0.476 30 20 DBED Cc1cc(OCC(=O)N(C)C[C@H](O)CNC(=O)[C@H](C)C#N)no1 1444663002 MISKJWPRWOJAJV-MWLCHTKSSA-N 324.337 -0.543 30 20 DBED CNC(=O)NCC(=O)NC[C@@H](C)CNC(=O)c1cc(C#N)c[nH]1 1451546026 UJYHJIXNRGTROH-SECBINFHSA-N 320.353 -0.703 30 20 DBED CCC1(C(=O)NC[C@H](O)CNC(=O)[C@H](C)C#N)CCOCC1 1452393732 WJPHCVXGEHEVOA-VXGBXAGGSA-N 311.382 -0.054 30 20 DBED C[C@H](C#N)C(=O)N1CCCN(C(=O)CCS(C)(=O)=O)CC1 1453722636 PSHWSOSQAPNRNK-LLVKDONJSA-N 315.395 -0.358 30 20 DBED CC[C@H](C(=O)NC[C@H](O)CNC(=O)c1cc(C#N)c[nH]1)N(C)C 1457971481 XVRYRUJICGMDLH-DGCLKSJQSA-N 321.381 -0.567 30 20 DBED CC(F)(F)C(=O)NC[C@@H](O)CNC(=O)c1ccc(C#N)[nH]1 1457987180 WLURMOIQHNYFHU-QMMMGPOBSA-N 300.265 -0.252 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)Cc2cnn(C)c2)C1 1459648188 JFCUFEHWKDLPPD-IAQYHMDHSA-N 319.365 -0.798 30 20 DBED CC(=O)N(C)CC(=O)NC[C@H]1CCCN(C(=O)[C@H](C)C#N)C1 1494260645 DVTAKIZRFLXCGM-DGCLKSJQSA-N 308.382 -0.021 30 20 DBED C=C(Cl)CN1CC[C@@](O)(CNC(=O)CN2CCCC2=O)C1 1500631116 IGPPOENPCXYPMB-CQSZACIVSA-N 315.801 -0.086 30 20 DBED CN1CCC[C@@H]1C(=O)NC[C@@H](O)CNC(=O)c1c[nH]c(C#N)c1 1501463020 KFGPYKHGHFSCLB-QWHCGFSZSA-N 319.365 -0.813 30 20 DBED C#CCNC(=O)CNC[C@H]1CCCN1C(=O)CCN(C)CC 1569561241 PTWJVMCHROLMEL-CQSZACIVSA-N 308.426 -0.342 30 20 DBED C#Cc1cncc(C(=O)NC2(C(=O)O)CCS(=O)(=O)CC2)c1 1573313020 AOUJALVWUMIKMY-UHFFFAOYSA-N 322.342 -0.175 30 20 DBED C[C@@H]1CN(C(=O)Cn2cnc(C#N)n2)CC2(CCNCC2)O1 1576770453 LYKYDDSIOKGGJJ-LLVKDONJSA-N 304.354 -0.481 30 20 DBED CCn1cc(-c2nn[nH]n2)c(=O)n(Cc2cncc(C#N)c2)c1=O 1578736243 BWGMCLUYMDENBQ-UHFFFAOYSA-N 324.304 -0.475 30 20 DBED C#CCOCCNC(=O)N[C@@H]1CCCCN(CC(=O)O)C1=O 1588430355 AXKZNXJHJFJULX-LLVKDONJSA-N 311.338 -0.599 30 20 DBED C#CCN(C(=O)[C@@H]1C[C@@H]1C(=O)O)C1CCN(CC(=O)NC)CC1 1588459607 DNPAHRJLZBRDMK-OLZOCXBDSA-N 321.377 -0.621 30 20 DBED C=CCOC[C@H](NC(=O)c1coc(S(N)(=O)=O)c1)C(=O)O 1588860568 YPPNJMAGTWIBLC-QMMMGPOBSA-N 318.307 -0.687 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N[C@@]1(CC(=O)O)CCOC1 1589330478 GTHYFWYVYBLCBD-GXSJLCMTSA-N 305.356 -0.454 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H](C[C@@H]1CCCO1)C(=O)O 1589330550 JJGJQEDGRPZCNS-VWYCJHECSA-N 319.383 -0.065 30 20 DBED N#CCNC(=O)CNC(=O)COc1ccccc1-c1nn[nH]n1 1592678276 TVLJITOVSDIZPD-UHFFFAOYSA-N 315.293 -0.999 30 20 DBED CO[C@@]1(C(=O)O)CCN(C(=O)C(=O)N2CCC[C@H](C#N)C2)C1 1606691197 KINMGYBYGYZQTA-YGRLFVJLSA-N 309.322 -0.549 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N1CCN(C)C[C@@H](C(=O)O)C1 1609725578 INCXUGAKZPVXLW-GHMZBOCLSA-N 318.399 -0.587 30 20 DBED N#C[C@@H]1CN(C(=O)c2cc(S(N)(=O)=O)ccc2O)CCO1 1647287793 OUFGGUJHOKQUSP-MRVPVSSYSA-N 311.319 -0.596 30 20 DBED C#Cc1ccccc1CC(=O)NCCN1CCN(CCO)CC1 1752375108 IGVHQJNHTKNBMA-UHFFFAOYSA-N 315.417 -0.064 30 20 DBED C#CCCN[C@@H]1CCC[C@H](NC(=O)CS(=O)(=O)N(C)C)C1 1752980174 JYCZGGXLSQCSDO-OLZOCXBDSA-N 315.439 -0.082 30 20 DBED C=CCN1CC[C@@H](N(C)CCNC(=O)c2cn(C)c(O)n2)C1=O 1753062865 AJYUMAAMWAOOFB-GFCCVEGCSA-N 321.381 -0.426 30 20 DBED C#CCNC(=O)CN(CC)CCNC(=O)[C@@H]1C[C@@]12CCOC2 1753093276 YCDYKZCPJFXAKA-XJKSGUPXSA-N 307.394 -0.400 30 20 DBED N#CCNC(=O)CN1CCC[C@H]1CNC(=O)c1ncccn1 1753113192 HFRVKHCIHULTCL-NSHDSACASA-N 302.338 -0.689 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1CN(CCN2CCCC2=O)C1 1753401279 YPAYFITUIRBRSE-INIZCTEOSA-N 309.410 -0.016 30 20 DBED C#CCNC(=O)CNC[C@H](C)CNC(=O)Cc1cccnc1 1753610237 PNHDYAANKIMHGQ-ZDUSSCGKSA-N 302.378 -0.285 30 20 DBED C=C[C@@](C)(O)CC(=O)N(C)CCN(C)CCN1CCNC1=O 1753851565 JCEVTZPKEPKKAM-OAHLLOKOSA-N 312.414 -0.271 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@@H]1CN(C(=O)C#CC2CC2)CCO1 1755002498 SCEQPQCWXDNRIR-UKRRQHHQSA-N 317.389 -0.645 30 20 DBED COCC#CCN(C)CCCN(C)C(=O)Cn1ncn(C)c1=O 1755039975 FBRGFQKYEWQPNI-UHFFFAOYSA-N 323.397 -0.988 30 20 DBED C#CCNC(=O)CNCC1(O)CCN(C(=O)/C(C)=C/C)CC1 1755149812 UVMLHPCWVIZORM-WLRTZDKTSA-N 307.394 -0.355 30 20 DBED CCc1oncc1C(=O)N[C@H](C)C1CN(CC(=O)NCC#N)C1 1755387430 IZXRJFUZMDNRIV-SNVBAGLBSA-N 319.365 -0.073 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CC[C@H](NC(=O)COC)C[C@H]2C1 1755449563 HCOXQQIVHVCMHN-IHRRRGAJSA-N 307.394 -0.401 30 20 DBED C=CCNC(=O)CN[C@@H]1C[C@@H](C)N(C(=O)c2nnn(C)c2C)C1 1755672686 KYMCZFMUBPEZDQ-ZYHUDNBSSA-N 320.397 -0.382 30 20 DBED C=CCOCC(=O)N1CCC[C@H]1CN(C)C(=O)[C@H]1CCNC1=O 1755909846 FWYGXVFWRNZOLC-STQMWFEESA-N 323.393 -0.226 30 20 DBED C=CCCCC(=O)NC1(CCO)CN(C(=O)Cn2nccn2)C1 1756087790 OILRJSWVJVTCNU-UHFFFAOYSA-N 321.381 -0.286 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C[C@@H](C)NC(=O)c1cc(=O)n(C)o1 1756453278 LJPOGPCNMJRKSX-GHMZBOCLSA-N 323.349 -0.407 30 20 DBED CC(C)(C)C#CC(=O)NC[C@@H](CO)NC(=O)[C@@H]1[C@H]2COC[C@H]21 1756519026 AJEBRVPJBLNARJ-CIQGVGRVSA-N 308.378 -0.478 30 20 DBED CC(C)(C)C#CC(=O)NC[C@H](CO)NC(=O)COCC(F)F 1756520204 WMYLNUNYSKVZNX-SNVBAGLBSA-N 320.336 -0.089 30 20 DBED CC(C)C#CC(=O)N1CC[C@@H](NC(=O)CS(C)(=O)=O)[C@H]1C 1756562617 ZTXUCBUDTYPHBL-VXGBXAGGSA-N 314.407 -0.204 30 20 DBED COCCN(CCOC)S(=O)(=O)N[C@H](CCC#N)C(=O)O 1777211243 JYUMQYNPSZZQSR-SNVBAGLBSA-N 323.371 -0.827 30 20 DBED NC(=O)NCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C#CC1CC1)C2 1804468897 OQYMVTAJARCQGZ-CLLJXQQHSA-N 318.377 -0.294 30 20 DBED C#CCNC(=O)COC(=O)CNS(=O)(=O)c1ccc(C)cc1 8373632 URGLZUJXZKTZAJ-UHFFFAOYSA-N 324.358 -0.434 30 20 DBED C/N=C(/NC[C@@H]1CN2CCN1CC2)N[C@@H]1CCN(C2CC2)C1 261976580 NQRBXMYBXFJOLH-UKRRQHHQSA-N 306.458 -0.612 30 20 DBED COCCn1c(N)c(C(=O)CN(C)C[C@@H](C)C#N)c(O)nc1=O 264218697 OOYYOUIPRZJEAP-VIFPVBQESA-N 323.353 -0.548 30 20 DBED N#Cc1ccc(S(=O)(=O)NCCN2C(=O)CNC2=O)cc1 264977707 SVVRALIKMMMCBC-UHFFFAOYSA-N 308.319 -0.612 30 20 DBED COc1ccccc1CN/C(N)=N/CCN1C(=O)CNC1=O 267388689 CIDJVRKBKXSVSB-UHFFFAOYSA-N 305.338 -0.349 30 20 DBED C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@H](C)CO)cc1 268727392 GMAPZVROUOQNMM-NSHDSACASA-N 310.375 -0.044 30 20 DBED CC(=O)N1CCN(/C(O)=N/CCN2CCN=C(O)C2)[C@H](C)C1 329313008 RMMCMBLKSJXDDR-LLVKDONJSA-N 311.386 -0.275 30 20 DBED O=S(=O)(N1CCOCC1)N1CC[C@H](N/C(O)=N/C2CC2)C1 329590592 TXGFUVIZSPMSOG-NSHDSACASA-N 318.399 -0.696 30 20 DBED CC/N=C(/O)N1CC[C@H](/N=C(/O)CN2CCCS2(=O)=O)C1 329905212 ANUMDJQTFKEHLI-JTQLQIEISA-N 318.399 -0.013 30 20 DBED C/N=C(/O)N1CCN(C/C(O)=N/CC(=O)N2CCCC2)CC1 329956296 OXTZBEHRDNCEKW-UHFFFAOYSA-N 311.386 -0.273 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1CCC[C@@H](CO)C1 330407050 XBHRJSKPEHVQKM-GFCCVEGCSA-N 305.400 -0.202 30 20 DBED COC(=O)c1cn([C@@H]2CCCN(CC(=O)NCC#N)C2)nn1 330869114 FEWJGESCYBEREQ-SNVBAGLBSA-N 306.326 -0.659 30 20 DBED C=CCN1CC[C@H](N2CC[C@H](S(=O)(=O)NCC)C2)C1=O 332373849 DMAVNDDYZVAIBX-RYUDHWBXSA-N 301.412 -0.213 30 20 DBED COCCN(CCC#N)S(=O)(=O)NC[C@H]1COCCO1 336912061 JBJBUEXKDVPXSE-NSHDSACASA-N 307.372 -0.902 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)CN(C)S(C)(=O)=O)C1=O 337090088 JIBJGTAMMYXRBR-SNVBAGLBSA-N 303.384 -0.877 30 20 DBED C=CCCOCCNC(=O)CNS(=O)(=O)c1cn(C)cn1 339888047 VUMYNUTZEFYVCR-UHFFFAOYSA-N 316.383 -0.593 30 20 DBED CCS(=O)(=O)NCC(=O)N(CCC#N)CCCN(C)C 340089723 KBWGXXCZSVVIGX-UHFFFAOYSA-N 304.416 -0.380 30 20 DBED Cn1cc(C#N)c(=O)n(Cc2ccc(S(C)(=O)=O)cc2)c1=O 340667632 SWXLWSSHOAWQQM-UHFFFAOYSA-N 319.342 -0.130 30 20 DBED N#Cc1ccc(S(=O)(=O)CCN2CCn3ncnc3C2)nc1 343780445 DWPWIFUZYVSLKD-UHFFFAOYSA-N 318.362 -0.166 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCCC[C@H](O)CC)C1=O 352401710 RSFFUPNDFDTZQV-SNVBAGLBSA-N 311.338 -0.370 30 20 DBED CCN(CCC#N)S(=O)(=O)N1C[C@H](C)S(=O)(=O)[C@@H](C)C1 352593541 SDYPPVLSQNEQGJ-QWRGUYRKSA-N 323.440 -0.026 30 20 DBED CN(C(=O)C(=O)Nc1ccc(C#N)c(F)c1)[C@@H]1COC[C@@H]1O 354366986 QRZSUHKRDHQDRO-NEPJUHHUSA-N 307.281 -0.146 30 20 DBED C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NCCC#N 357108204 MGLUKSQDTWQIJI-ZDUSSCGKSA-N 308.338 -0.368 30 20 DBED C=CCN(CCOC)C(=O)NCC1CN(S(C)(=O)=O)C1 359266367 DQJUTMQQLBAVAN-UHFFFAOYSA-N 305.400 -0.278 30 20 DBED CCOCCOC[C@H](O)CNS(=O)(=O)N(C)CCC#N 359977686 UJUJLUVIEPDNBS-LLVKDONJSA-N 309.388 -0.920 30 20 DBED C=C[C@H](C)NC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 362598884 GWTISCYVZOBPGJ-GARJFASQSA-N 300.380 -0.287 30 20 DBED COCCO[C@H]1C[C@@H](CO)CN(S(=O)(=O)CCCC#N)C1 447848548 MASUDXAIRZBAMF-OLZOCXBDSA-N 320.411 -0.034 30 20 DBED COC(=O)[C@H]1COCCN1S(=O)(=O)CC1(CC#N)CC1 451268877 NHCCTCPBYWDYBF-SNVBAGLBSA-N 302.352 -0.116 30 20 DBED C[C@H]1CN(C(=O)C(=O)Nc2ccc(F)cc2C#N)CC(=O)N1 453922551 QJMLSUBKUGVYQA-QMMMGPOBSA-N 304.281 -0.017 30 20 DBED C#CCn1ccc(CN(CC)C(=O)c2cn(C)c(=O)nc2O)n1 491781142 GAXBENCABYDPNM-UHFFFAOYSA-N 315.333 -0.022 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@]2(C)C[C@H]3CC[C@H]2O3)CC1 491789386 ZOQAMSVNNFCCBX-CKEIUWERSA-N 319.405 -0.162 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1CC[C@@H](C(=O)O)[C@@H]1C 514864794 CCVSPNMNTYYCQQ-WDEREUQCSA-N 319.383 -0.112 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccc(C)cn2)C1=O 516973039 PGDRSRKKFQVLSO-UHFFFAOYSA-N 316.317 -0.017 30 20 DBED C=CC[C@H](CO)CNC(=O)c1cc(S(N)(=O)=O)cnc1C 563391598 XKSNGZKTNHGZLU-JTQLQIEISA-N 313.379 -0.048 30 20 DBED C=CCC[C@H](CO)NS(=O)(=O)CCNS(=O)(=O)CC 568263500 GDYUWFNDFDHCSY-SNVBAGLBSA-N 314.429 -0.828 30 20 DBED CCN1CCO[C@@H](C(=O)Nc2n[nH]c(CCCNC)c2C#N)C1 569275334 KBPJFUJZJNSDDX-CYBMUJFWSA-N 320.397 0.093 30 20 DBED CCOC(=O)[C@H]1CCCN(C(=O)Cn2cnc(C#N)cc2=O)C1 584838948 OTEOEWMJKNKPBX-NSHDSACASA-N 318.333 -0.083 30 20 DBED CN1C(=O)N[C@@]2(CCC[C@@H]2CNc2cc(C#N)cnn2)C1=O 596149083 IPVVFBGKHVNHRC-QMTHXVAHSA-N 300.322 0.481 30 20 DBED CC(C)(C)OC(=O)[C@@H]1COCCN1C(=O)Cn1cnc(C#N)n1 597846413 OHCYWQJKJAMJRO-JTQLQIEISA-N 321.337 -0.281 30 20 DBED CS(=O)(=O)NC1CN(S(=O)(=O)c2ccccc2C#N)C1 599422942 YMBXQNGFLSAYAB-UHFFFAOYSA-N 315.376 -0.520 30 20 DBED N#CCN1CCC(NC(=O)NCCCN2CCOCC2)CC1 609339901 UDBGJCJZMWQNAC-UHFFFAOYSA-N 309.414 -0.004 30 20 DBED C=CCN(CCOC)C(=O)N[C@H]1CS(=O)(=O)C[C@@H]1OC 666103972 ZCUQFIQDVLZOMO-QWRGUYRKSA-N 306.384 -0.358 30 20 DBED NC(=O)C[C@H]1CCN(CC#CCN2CC[C@H](CC(N)=O)C2)C1 676923111 BQJSQAPYGJQJMK-ZIAGYGMSSA-N 306.410 -0.616 30 20 DBED CN1CCC[C@@H]1C(=O)NCC#CCNC(=O)[C@H]1CCCN1C 681339911 UMRUPSFEAXWHSV-ZIAGYGMSSA-N 306.410 -0.589 30 20 DBED C#Cc1ccc(C(=O)OCC(=O)N[C@H](C)C(=O)N(C)C)cn1 729031103 DEYGOWSLAMHLII-SNVBAGLBSA-N 303.318 -0.187 30 20 DBED C[C@H]1C(=O)NCCN1C(=O)NCCNc1ccc(C#N)cn1 730116300 RBCGIAIPEOJLJT-JTQLQIEISA-N 302.338 -0.105 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCC(C(=O)NCCO)CC1 771776973 WPRLZFCTOCLDAG-AWEZNQCLSA-N 307.394 -0.569 30 20 DBED CNS(=O)(=O)CCC(=O)O[C@@H](C)C(=O)NC1(C#N)CCC1 787768273 NLBVOZPWXPFIPR-VIFPVBQESA-N 317.367 -0.580 30 20 DBED CO[C@@H](CNS(=O)(=O)N1CCO[C@H](C#N)C1)C(F)(F)F 800052673 GFOZGTGUEXKGTR-SFYZADRCSA-N 317.289 -0.378 30 20 DBED CCOC(=O)C1=C(Cn2cncc(C#N)c2=O)NC(=O)N[C@H]1C 809970468 AHRASJLKKTXYJY-QMMMGPOBSA-N 317.305 -0.367 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)C(C)(C)NC(=O)O 825687440 JYUKNZKPDCTMED-SSDOTTSWSA-N 301.299 -0.024 30 20 DBED C#CCO[C@H](C)C(=O)NCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 826812581 NPXWXTSLSGZHBM-MBJXGIAVSA-N 316.357 -0.052 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)C[C@@H](O)CCC)CC1 831565708 YBWZDFFZZQMRHS-LBPRGKRZSA-N 317.411 -0.851 30 20 DBED C#Cc1cccc(CNC(=O)CN2CCN(CC)C(=O)C2=O)c1 837106010 JILZVFFIZIVQAA-UHFFFAOYSA-N 313.357 -0.025 30 20 DBED CC1(C#N)CN(C(=O)[C@H](CO)NC(=O)c2cccc(F)n2)C1 846061763 SPBUOARCAIMTMY-JTQLQIEISA-N 306.297 -0.317 30 20 DBED C#CC[C@H](NC(=O)C1=C(C)N(C)c2nnnn2[C@H]1C)C(=O)OC 848219471 AGJNICBMNWKCKN-UWVGGRQHSA-N 318.337 -0.361 30 20 DBED C/N=C(/NCCN1CCOCC1)NCC1([S@](C)=O)CC1 849026455 BPKQPBFOZRHSOX-FQEVSTJZSA-N 302.444 -0.605 30 20 DBED C=CCN(C(=S)NCCNS(C)(=O)=O)[C@@H](C)COC 849277157 PWPFCPYUIFSBDD-JTQLQIEISA-N 309.457 -0.067 30 20 DBED C#CC1(O)CN(C(=O)c2cccc(CN3C(=O)CNC3=O)c2)C1 890520019 FRDDAYCHVPNQKD-UHFFFAOYSA-N 313.313 -0.442 30 20 DBED C#CC1(O)CN(C(=O)[C@H](Cc2ccccc2)n2nnnc2C)C1 890522148 DKSZDXQQDHVKPP-AWEZNQCLSA-N 311.345 -0.028 30 20 DBED CO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1NC(=O)Cc1cc[nH]n1 941410128 XVJDOOHWZUKIES-YUSALJHKSA-N 305.338 -0.546 30 20 DBED C[C@@H]1CN(C)C[C@H](C(=O)N2CCCN(C(=O)[C@H](C)C#N)CC2)O1 941485081 PQQHUKYPEWXZAV-MGPQQGTHSA-N 322.409 -0.074 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@H](CNC(=O)C2=COCCO2)C1 944457829 SHLHQYUNLWOECT-WDEREUQCSA-N 309.322 -0.622 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)CN2C(=O)CNC2=O)[C@@H](C)C1 944790931 SCPPEIYQNRUOFC-NWDGAFQWSA-N 308.382 -0.059 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](NC(=O)c2nc[nH]n2)[C@H](OC)C1 945058278 DUBJGCBXKRRTMR-NXEZZACHSA-N 307.354 -0.028 30 20 DBED N#Cc1cc(C(=O)N[C@H]2[C@H]3C[C@H]2N(C(=O)c2cnn[nH]2)C3)c[nH]1 946955095 GQAHPBICWXBJSM-AXTRIDKLSA-N 311.305 -0.353 30 20 DBED C#CCCN1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C[C@@H]1C 947323204 IGLGFXRYCSQTDD-RYUDHWBXSA-N 318.381 -0.631 30 20 DBED C[C@H](C#N)C(=O)N1CCC(NC(=O)C[C@H]2CCNC2=O)CC1 948095932 CSPLHJGZBOZSHV-GHMZBOCLSA-N 306.366 -0.221 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2CCN2C(=O)Cc2nc[nH]n2)nc1 951378421 SYOWHLOCMBDGMB-GFCCVEGCSA-N 324.344 -0.246 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1nnn(C)n1 952178761 IBGHGBRXIMNDHI-AXFHLTTASA-N 320.353 -0.868 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2cnn[nH]2)C1 954630883 NUGZUMGHOMWBBB-ZDUSSCGKSA-N 316.365 -0.815 30 20 DBED C#CCN1C[C@H](CNC(=O)c2cc3n(n2)CCCC3)[C@@H](O)C1 958161389 JFCBHOJRROYHSA-WFASDCNBSA-N 302.378 -0.125 30 20 DBED C#CCCN1C[C@@H](O)[C@H](CNC(=O)c2ccc(C(N)=O)s2)C1 958477247 WXVPYENCQSPPPP-GHMZBOCLSA-N 321.402 -0.107 30 20 DBED C#CCCN1C[C@H](O)[C@H](CNC(=O)c2ccc(C(N)=O)nc2)C1 958747933 DXGBHHANQNDJAR-OCCSQVGLSA-N 316.361 -0.774 30 20 DBED C#CCN1CC[C@@H]([C@@H]2CCCN(C(=O)Cn3ncnn3)C2)C1 961160230 VTWYTAZVJDDXRR-ZIAGYGMSSA-N 302.382 -0.133 30 20 DBED C=C(Cl)CN1C[C@@H]2C(NC(=O)C3CC(=O)NC(=O)C3)[C@H]2C1 962037319 CZNQAVCGZZHJPE-UWVGGRQHSA-N 311.769 -0.162 30 20 DBED C=CCN1C[C@H]2C(NC(=O)c3nc(O)nc(O)c3OC)[C@@H]2C1 962280200 LRVCTTMFXAGWTI-HTQZYQBOSA-N 306.322 -0.258 30 20 DBED C[C@H](C#N)C(=O)N1CC2(C[C@H](NC(=O)c3ncccn3)CO2)C1 965792915 OXIVMSNTJJWILB-MNOVXSKESA-N 315.333 -0.264 30 20 DBED CN(C[C@H]1CCCN(C(=O)C(N)=O)C1)C(=O)c1ccc(C#N)[nH]1 967401194 WCKUWHUPKZUNFF-SNVBAGLBSA-N 317.349 -0.318 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(CC(N)=O)CC[C@@H]2C)cn1 968562727 VWPHZJCYOPXLDW-SMDDNHRTSA-N 300.362 -0.012 30 20 DBED C[C@@H](NC(=O)[C@H]1CCc2nnn(C)c2C1)C1CN(CC#N)C1 970335843 OXNPPEBYUBNBAT-MNOVXSKESA-N 302.382 -0.120 30 20 DBED C#Cc1ccc(C(=O)N[C@@H](C)C2CN(CC(=O)NC)C2)nc1 970764497 UXALUSLWQGWJKS-NSHDSACASA-N 300.362 -0.141 30 20 DBED C=C(C)CN1CCO[C@@]2(CCN(C(=O)[C@@H]3CN(C)C(=O)N3)C2)C1 972503819 JFFXTDFFWIEPOP-BBRMVZONSA-N 322.409 -0.111 30 20 DBED C[C@@H](NCc1nnnn1C)[C@@H]1CN(C(=O)C#CC2CC2)CCO1 979332843 LXISLPVLTZYPTK-YPMHNXCESA-N 318.381 -0.671 30 20 DBED C#CCN1CCCC2(C1)CN(C(=O)CN1CCN(C)C(=O)C1)C2 981855399 CTVXEPIZJFJIDN-UHFFFAOYSA-N 318.421 -0.682 30 20 DBED CN1C[C@H](C(=O)NC[C@@H]2CCN(C(=O)C#CC3CC3)C2)NC1=O 982740672 ZDTHAUHIHVCHBA-QWHCGFSZSA-N 318.377 -0.612 30 20 DBED C[C@H]1C[C@H](NCc2nnnn2C)CN1C(=O)c1ccc(C#N)[nH]1 988657777 VNSQDNMCHJIXBP-ONGXEEELSA-N 314.353 -0.197 30 20 DBED CC(=O)N1CC(C(=O)NC2CN(C(=O)c3c[nH]c(C#N)c3)C2)C1 991045625 SHBNRQFGAGOBJQ-UHFFFAOYSA-N 315.333 -0.695 30 20 DBED C[C@H](C#N)C(=O)N1CC(NC(=O)[C@@H]2CCCN2C(=O)C2CC2)C1 991638276 BWFKWCBLMUZROU-MFKMUULPSA-N 318.377 -0.126 30 20 DBED Cc1nn(CC(=O)N[C@]23CCC[C@@H]2N(CC#N)CC3)c(=O)n1C 992446515 COIOEJOWZYEXOR-WFASDCNBSA-N 318.381 -0.473 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@H]1CN2C(=O)CN1CCOCC1 1007260130 DKPYTDGQVDEROJ-MJBXVCDLSA-N 320.393 -0.320 30 20 DBED C[C@H]1[C@@H](NC(=O)C2CS(=O)(=O)C2)CCN1C(=O)C#CC1CC1 1011745424 DZABASPOUOOSNM-GWCFXTLKSA-N 324.402 -0.450 30 20 DBED O=C(NC1[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]12)c1ccc(O)nn1 1012724454 STAJITNWXCTXEC-GHMZBOCLSA-N 312.329 -0.218 30 20 DBED C[C@H](C#N)C(=O)N1CCCO[C@@H](CNC(=O)c2ncc[nH]2)C1 1019585224 SYOBRAXVUWSKBR-MNOVXSKESA-N 305.338 -0.083 30 20 DBED COc1ccc(CN[C@H]2C[C@H](NC(=O)C(N)=O)C2)cc1C#N 1020533152 IZFCLLBAYNYNPJ-HAQNSBGRSA-N 302.334 -0.211 30 20 DBED CN1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1023212457 FWDJTERBZWAHLD-HZSPNIEDSA-N 305.378 -0.818 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2CCN([C@@H](C)C(=O)NC)C2)nn1 1028852471 JNZNJDCZWWKSAX-RYUDHWBXSA-N 320.397 -0.350 30 20 DBED C=CCn1cc(C(=O)NCC2CN(Cc3cnnn3C)C2)nn1 1032035633 IDRKYPJUPNXYQC-UHFFFAOYSA-N 316.369 -0.546 30 20 DBED C#CCN1CC[C@@H](N(C)C(=O)Cn2nc3n(c2=O)CCCC3)C1 1033569699 XPLURBSAABNGDH-CYBMUJFWSA-N 317.393 -0.453 30 20 DBED C#CCN1CCCC[C@@H](NC(=O)C2CC3(C2)NC(=O)NC3=O)C1 1034436179 PEIRYNPORWXZIH-BWBHSNQOSA-N 318.377 -0.422 30 20 DBED C=CCn1cccc1C(=O)NC[C@H]1CN([C@@H](C)C(N)=O)CCO1 1035401936 OPRFRPXZQURTAE-STQMWFEESA-N 320.393 -0.022 30 20 DBED C#CCN1CCO[C@H](CNC(=O)[C@@H]2CCn3cncc3C2)C1 1035414349 NVCLSCKJJZMJNO-UKRRQHHQSA-N 302.378 -0.104 30 20 DBED N#CCN1CCO[C@@H](CNC(=O)[C@@H]2CCn3cncc3C2)C1 1035414510 QJPHFCONFUZYPC-OCCSQVGLSA-N 303.366 -0.214 30 20 DBED C=C(C)CN1CCO[C@H](CNC(=O)[C@@H]2CCS(=O)(=O)C2)C1 1035440752 ZBFBIXJBFCGICQ-CHWSQXEVSA-N 316.423 -0.186 30 20 DBED N#CCN1CCO[C@@H](CNC(=O)[C@H]2CCCS(=O)(=O)C2)C1 1035532526 YOHZQDNGDVTYCS-RYUDHWBXSA-N 315.395 -0.848 30 20 DBED CCCn1nc(C(=O)NC[C@H]2CN(CC#N)CCO2)ccc1=O 1035601355 AXHHIUWHIPBMOC-LBPRGKRZSA-N 319.365 -0.393 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2CCN2[C@H](C)C(=O)N(C)C)nn1 1038789054 DXBAOTWJZSGHFO-VXGBXAGGSA-N 320.397 -0.255 30 20 DBED CC(C)C#CC(=O)NC[C@]1(O)CCN(C(=O)c2ncn(C)n2)C1 1039664745 WTNBAPUQXYYZFS-OAHLLOKOSA-N 319.365 -0.832 30 20 DBED C#CCOCCC(=O)NC[C@@]1(O)CCN(C(=O)[C@H](F)CC)C1 1039721920 PTINVXGJWFTWIZ-DOMZBBRYSA-N 314.357 -0.146 30 20 DBED C#CCN1CC[C@]2(CCN(C(=O)CN3CCOCC3=O)C2)C1 1041361580 ANYHXXPFPWWJCB-INIZCTEOSA-N 305.378 -0.597 30 20 DBED C=CCN1CC[C@@]2(CCN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)C1 1041366723 AHICJNWSBHUAHA-XHDPSFHLSA-N 306.366 -0.305 30 20 DBED N#CCSCC(=O)NCC1(O)CN(C(=O)/C=C/C2CC2)C1 1041569345 ULSKVVGKACHPSK-ONEGZZNKSA-N 309.391 -0.101 30 20 DBED CC#CCN1CC[C@@H]2CCN(C(=O)CN3CC(=O)NC3=O)C[C@@H]21 1042273586 SXQDVKUCBNIPCP-OLZOCXBDSA-N 318.377 -0.516 30 20 DBED Cn1cc(C(=O)N2CC[C@H]3CCN(CC#N)[C@H]3C2)n(C)c1=O 1042371923 WYARDYUBUFGTPJ-NEPJUHHUSA-N 303.366 -0.216 30 20 DBED C[C@@H]1CN(c2nccnc2C#N)C[C@H]1NC(=O)[C@@H]1CCNC1=O 1042400139 JVVSNGOHCSZEEX-CKYFFXLPSA-N 314.349 -0.575 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)C[C@@H]2CCNC2=O)C1 1042801763 STRFRNXZZMLYGV-LBPRGKRZSA-N 321.377 -0.994 30 20 DBED C[C@H]1C[C@H](C(=O)N2CC(O)(CNC(=O)C#CC3CC3)C2)CCO1 1042960686 NBFNUDYQWBZLCF-GXTWGEPZSA-N 320.389 -0.096 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)[C@H](C)C2CC2)C1 1043039502 GXAQGTBZJLVYAX-VXGBXAGGSA-N 308.378 -0.240 30 20 DBED C#CCCCCC(=O)N1CC(O)(CNC(=O)[C@@H](C)OCC#C)C1 1043040277 PXEXHZFWHKADBB-CQSZACIVSA-N 320.389 -0.092 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2cc(C)co2)C1 1043043298 HISHKDZVOMVQKU-LBPRGKRZSA-N 320.345 -0.071 30 20 DBED C#CCCCCC(=O)N1CC(O)(CNC(=O)CCCC(N)=O)C1 1043701218 IZVWSKFZJOBXSN-UHFFFAOYSA-N 323.393 -0.475 30 20 DBED N#Cc1nccnc1N1C[C@H](O)[C@H](NC(=O)[C@H]2CCCOC2)C1 1043868419 CHWIHVWEPPFNAN-UHTWSYAYSA-N 317.349 -0.559 30 20 DBED C=C(Cl)CN1CC(N(C)C(=O)[C@H]2CCN(C)S2(=O)=O)C1 1044037787 NLZVWFZIBQVOIE-LLVKDONJSA-N 321.830 -0.085 30 20 DBED C=C1CC(C)(C(=O)N2CC(O)(CNC(=O)C3(C(N)=O)CC3)C2)C1 1045494029 QEFIOJHUUAEBNV-UHFFFAOYSA-N 321.377 -0.702 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)[C@H](C)C2CCOCC2)C1 1045565276 UNXUJPZNDGUGFA-NWDGAFQWSA-N 323.393 -0.102 30 20 DBED C#CCN1[C@H]2CC[C@H]1CN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)CC2 1045848103 IQNDVJRADIJSMW-XDQVBPFNSA-N 305.378 -0.282 30 20 DBED C#CCN1CC[C@H](N2CCN(C(=O)c3cnn(C)c3)CC2)C1 1046002587 ZICWHNKXDVSKCG-HNNXBMFYSA-N 301.394 -0.115 30 20 DBED C[C@@]1(NC(=O)c2c[nH]c(C#N)c2)CCN([C@@H]2CCNC2=O)C1 1046252709 HKENQVBNYTWPCA-IUODEOHRSA-N 301.350 -0.031 30 20 DBED C#CCN1CC[C@@](C)(NC(=O)[C@H]2CC(=O)N(CCOC)C2)C1 1046367056 WTRROLCGCCNAPI-XJKSGUPXSA-N 307.394 -0.305 30 20 DBED CN(C(=O)c1cn(C)nc1C(F)F)[C@H]1CN(CC#N)C[C@@H]1O 1047412485 SXWNLCVSTZIVMV-UWVGGRQHSA-N 313.308 -0.002 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCOC2)C1 1048499980 GMWCQXYHDHLHEE-RDBSUJKOSA-N 308.378 -0.144 30 20 DBED C=CCCC(=O)N(C)[C@H]1CN(C(=O)C[C@@H]2COC(=O)C2)C[C@@H]1O 1048510170 IREXLPSSSCWRMB-AVGNSLFASA-N 324.377 -0.064 30 20 DBED CNC(=O)c1ccc(C(=O)N2C[C@@H]3CN(CC#N)C[C@@H]3C2)cn1 1049177280 STNFPEXKFYMEPX-BETUJISGSA-N 313.361 -0.031 30 20 DBED C[C@H](NC(=O)CC(N)=O)[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 1050483233 MNIGRJPPDQKVGW-VHSXEESVSA-N 317.349 -0.271 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)Cn1nc(C)n(C)c1=O)C2 1050745713 HSHVVMRUKRYSSB-UHFFFAOYSA-N 317.393 -0.552 30 20 DBED C=CCN1CCOC[C@H]1CNC(=O)[C@H]1CN2CC3CC2(CO1)C3 1051038239 RJJAHGBRJVBLJH-GYMHETDLSA-N 321.421 -0.147 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)c1c(OC)ccnc1O 1051210160 CVALGXCMXJBIJV-LLVKDONJSA-N 305.334 -0.140 30 20 DBED CCc1cnc(CC(=O)N2CCOC3(CN(CC#N)C3)C2)[nH]1 1053291405 NIYRYGKMJJHDPE-UHFFFAOYSA-N 303.366 -0.049 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)c3cn(CCOC)nn3)CO2)C1 1053796331 GZEXDUYMLCZJIU-LBPRGKRZSA-N 319.365 -0.869 30 20 DBED Cn1cc(C(N)=O)cc1C(=O)N[C@@H]1COC2(C1)CN(CC#N)C2 1053858486 HZBGAQQVIRAYQQ-NSHDSACASA-N 317.349 -0.779 30 20 DBED CN1CCO[C@@H](C(=O)N2CCN(c3cnc(C#N)cn3)CC2)C1 1055751110 PPEBAXFKZDXRII-CYBMUJFWSA-N 316.365 -0.673 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@](CO)(NC(=O)Cn2cccn2)C1 1055763981 OHOKRRSESXCNEH-IUODEOHRSA-N 319.365 -0.488 30 20 DBED Cn1nnc(C(=O)N2CCN(c3ncc(C#N)cc3F)CC2)n1 1055979063 CESLOAXMHYXWRI-UHFFFAOYSA-N 316.300 -0.422 30 20 DBED N#Cc1ccc(N2C[C@@H]3C(NC(=O)c4nccnc4N)[C@H]3C2)nn1 1056154033 WADOVVNXUUUNHR-UWVGGRQHSA-N 322.332 -0.415 30 20 DBED Cn1ncc(C(=O)NC2[C@H]3CN(c4nccnc4C#N)C[C@H]23)c1N 1056175829 GWZATQCJEMGOMB-UWVGGRQHSA-N 324.348 -0.471 30 20 DBED Cn1cc(C(=O)NC2[C@@H]3CN(c4nccnc4C#N)C[C@@H]23)nn1 1056197808 GSVRERYQDCAZPK-RKDXNWHRSA-N 310.321 -0.659 30 20 DBED Cn1ncc(C(=O)NC2[C@H]3CN(c4nccnc4C#N)C[C@H]23)n1 1056257355 PYVSOIFPUAZIOX-IUCAKERBSA-N 310.321 -0.659 30 20 DBED CN1CCO[C@H](C(=O)N2CC[C@@H](Nc3cnc(C#N)cn3)C2)C1 1056599655 MTJBUVGJAMPBSW-YPMHNXCESA-N 316.365 -0.308 30 20 DBED C[C@@]1(C(=O)N2CC[C@@H](Nc3cnc(C#N)cn3)C2)CCNC1=O 1056777137 LJDBIMQGWNSWNU-MEBBXXQBSA-N 314.349 -0.113 30 20 DBED C#CCOCCC(=O)N(CCO)CCNC(=O)c1ccnn1C 1057581081 LBJRCKXKWJFRMA-UHFFFAOYSA-N 322.365 -0.989 30 20 DBED C#CCOCCC(=O)N(CCO)CCNC(=O)c1ccnnc1 1057581289 OWZXOLGMXYMMRM-UHFFFAOYSA-N 320.349 -0.933 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)CCc1cn[nH]c1 1057705706 RQSQEOIORPITFA-LLVKDONJSA-N 307.354 -0.561 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)c1cnn(C)n1 1058094852 ZJOSGNLANCFMRV-UHFFFAOYSA-N 307.354 -0.831 30 20 DBED N#Cc1ccc(N2CC[C@H](NC(=O)[C@H]3CCNC3=O)C2)nn1 1058507894 PXHOKVXOMXIEKP-QWRGUYRKSA-N 300.322 -0.821 30 20 DBED N#Cc1cnc(N[C@H]2CCN(C(=O)[C@H]3CNC(=O)N3)C2)cn1 1059049498 RJBLWAAUPUICSX-WCBMZHEXSA-N 301.310 -0.958 30 20 DBED N#Cc1nc(=NC[C@H]2CCN(C(=O)Cc3cnc[nH]3)C2)cc[nH]1 1060997826 NTZLPVBBFNUFEZ-LLVKDONJSA-N 311.349 -0.004 30 20 DBED C#CCCCC(=O)N1CCOC[C@@H]1CNC(=O)CC(=O)NCC 1061518410 MLWNHHVWHBCORU-ZDUSSCGKSA-N 323.393 -0.340 30 20 DBED N#Cc1cnc(N2CC[C@@H](CNC(=O)c3nccnc3N)C2)cn1 1061551867 WNTKWWULPZNNED-JTQLQIEISA-N 324.348 -0.023 30 20 DBED N#Cc1nccc(N2CC[C@H](CNC(=O)[C@H]3C[C@H]3C(N)=O)C2)n1 1061732843 ZKSPQZBNTMQTHQ-MXWKQRLJSA-N 314.349 -0.588 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)CSCC#N 1061845694 KQAINKICNPYGSJ-GHMZBOCLSA-N 310.379 -0.254 30 20 DBED C[C@H](NC(N)=O)C(=O)N1CCCC[C@@H]1CNC(=O)C#CC1CC1 1062158334 LAMAZAKKWCPVND-WCQYABFASA-N 320.393 -0.046 30 20 DBED CN(C(=O)[C@@H]1CNC(=O)N1)[C@@H]1CCN(c2cnc(C#N)cn2)C1 1063024420 BXIHSOXKZJRTLV-MNOVXSKESA-N 315.337 -0.933 30 20 DBED Cc1ccnc(C(=O)N2CCO[C@@H](CNC(=O)[C@@H](C)C#N)C2)n1 1065103983 RPSRAOUUKWEKMK-JQWIXIFHSA-N 317.349 -0.098 30 20 DBED CC(C)C#CC(=O)N1CCO[C@@H](CNC(=O)Cc2cc[nH]n2)C1 1065130835 QNQSSZYRHDFNIF-AWEZNQCLSA-N 318.377 -0.045 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CN(C(=O)c2cnnc(O)c2)CCO1 1065265043 DVPMAPYBRPZQQO-MWLCHTKSSA-N 319.321 -0.701 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCO[C@@H](CNC(=O)c2nc[nH]n2)C1 1065278481 KSECEHHUVOIJKV-QWRGUYRKSA-N 323.353 -0.647 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)c2cnn(C)n2)CCO1 1065344622 GCDXVPRODGDSOD-LLVKDONJSA-N 307.354 -0.262 30 20 DBED C=CCCCC(=O)N1CCO[C@@H](CNC(=O)Cn2cncn2)C1 1065547989 GHXBPTJSALKNSW-ZDUSSCGKSA-N 321.381 -0.022 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCCN(C)C(=O)[C@@H]1CCCNC1=O 1067641989 VTMBILQMERYRCD-NWDGAFQWSA-N 308.382 -0.021 30 20 DBED C=CCC1(C(=O)N2CC3(CN(C(=O)C(N)=O)CCO3)C2)CCC1 1068447954 ZYIUYNBDCVJMSC-UHFFFAOYSA-N 321.377 -0.342 30 20 DBED C=CC(C)(C)C(=O)N1CC2(C[C@@H](NC(=O)CNC(N)=O)CO2)C1 1068691100 ALSALSCFXISVKG-SNVBAGLBSA-N 324.381 -0.647 30 20 DBED C=CCCC(=O)N1CC2(C[C@H](NC(=O)[C@@H]3COCCO3)CO2)C1 1068712972 GBYIBTPNTFYAKD-STQMWFEESA-N 324.377 -0.146 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2cnnn2CC)C1 1069920352 IUKPJRZYWNMWED-YPMHNXCESA-N 314.353 -0.822 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H]2OCCO[C@H]2C)C1 1069949427 XHEJLCRDPRVDHT-CRWXNKLISA-N 319.365 -0.943 30 20 DBED CC(C)C#CC(=O)N1CCC[C@@H](NC(=O)[C@@H]2CCNC2=O)C1 1070701490 PQRXPIGAZJRVGP-CHWSQXEVSA-N 305.378 -0.111 30 20 DBED C[C@@]1(C(=O)N2C[C@@H]3C[C@@H]4CN(CC#N)C[C@]3(C2)O4)CNC(=O)C1 1070828116 IRDHJYNTYVEFLY-SHUKQUCYSA-N 318.377 -0.662 30 20 DBED C#CCCN1CC[C@@]2(C1)CN(C(=O)Cn1ncnn1)C[C@@H](C)O2 1071168392 AHFLPCNDGQYFOB-UKRRQHHQSA-N 318.381 -0.612 30 20 DBED C[C@H](C#N)C(=O)NC1(C)CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1 1073261245 IHWPYXDMEZMMNY-MXWKQRLJSA-N 306.366 -0.235 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(C(=O)Cc2nc[nH]n2)C[C@@H]1C 1073818477 ZUJUYGCUERELSE-NWDGAFQWSA-N 321.381 -0.097 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)[C@H]2CCCN2C(C)=O)C1 1073901826 GNVILXLOJNZCHM-HUUCEWRRSA-N 307.394 -0.162 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H](C)CCNC(=O)CNC(=O)CC 1075944131 POQAORVSYAMRPI-NHYWBVRUSA-N 313.398 -0.149 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)c1cnsn1 1076217937 OVOPBZOQNAFDHW-VIFPVBQESA-N 323.378 -0.698 30 20 DBED C=CCCOCC(=O)N[C@@H](C)CCNC(=O)[C@H]1COC(=O)N1 1076346759 FPAWRDULYNNWRR-WDEREUQCSA-N 313.354 -0.302 30 20 DBED C[C@@H](CCNC(=O)C#CC1CC1)NC(=O)CNC(=O)C1CC1 1076423390 HQBSPMDIESTXQI-NSHDSACASA-N 305.378 -0.063 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)c2coc(S(C)(=O)=O)c2)C1 1077028982 PWIJVXPEFDHFAV-GHMZBOCLSA-N 314.363 -0.356 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)c2cnc3c(c2)nnn3C)C1 1077400752 QEQXUACOULHCDX-CHWSQXEVSA-N 316.365 -0.286 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)c2ccn3nnnc3c2)C1 1077502877 NREZRLPOAHGHKO-VXGBXAGGSA-N 302.338 -0.525 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCCCC(=O)N2)C1 1078082182 FZDMYUOCKZCUAK-BFHYXJOUSA-N 307.394 -0.380 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCC[C@@H](N(C)C(=O)C(N)=O)CC1 1079054409 IPAFFTQWHGECMW-NWDGAFQWSA-N 311.382 -0.098 30 20 DBED CCN(C(=O)C#CC1CC1)C1CN(C(=O)CNC(=O)OC)C1 1079736584 AUIGVTMCWPQBMY-UHFFFAOYSA-N 307.350 -0.185 30 20 DBED CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)CCn2cncn2)C1 1080411634 PZBOTRGJJAXKCJ-LLVKDONJSA-N 304.354 -0.113 30 20 DBED C=CCCC(=O)NC1(CO)CCN(C(=O)Cn2ncnn2)CC1 1080768477 XMEIIXNWIMPCEC-UHFFFAOYSA-N 322.369 -0.891 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1NC(=O)CN1C(=O)NC(C)(C)C1=O 1080890222 ADPLPMJLMAXNSZ-NXEZZACHSA-N 307.354 -0.723 30 20 DBED CC(C)[C@@H](O)C(=O)N1CCC(CO)(NC(=O)[C@@H](C)C#N)CC1 1080980086 JTPMFZXWNBQGHY-NWDGAFQWSA-N 311.382 -0.367 30 20 DBED CCN(CC1CCN(C(=O)CNC(N)=O)CC1)C(=O)[C@H](C)C#N 1081047164 REBCDGHPGNVVLR-LLVKDONJSA-N 323.397 -0.099 30 20 DBED C#Cc1ccc(C(=O)N2C[C@H](O)[C@H](CNC(=O)COC)C2)cn1 1081180232 BRVTZNQQDYQALB-OCCSQVGLSA-N 317.345 -0.742 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@H](CNC(=O)c2ccon2)C1 1081305046 LIVDPYGOWWQJBH-YPMHNXCESA-N 305.334 -0.117 30 20 DBED C#CCCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)CCCC(N)=O)C1 1081576536 BVPZHDJQHUIEPC-CHWSQXEVSA-N 323.393 -0.619 30 20 DBED CC(C)C#CC(=O)N1C[C@H](CNC(=O)Cc2cnc[nH]2)[C@@H](O)C1 1081800656 SWXFLSMEMXWFOT-JSGCOSHPSA-N 318.377 -0.453 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1ccnc2c1nnn2C 1082070368 ACPOQDLRNJAFBO-GHMZBOCLSA-N 315.337 -0.684 30 20 DBED Cn1nnnc1CN1C[C@H]2[C@@H](C1)OCCN2C(=O)C#CC1CC1 1083078011 IBLMRSJPQZBRNO-QWHCGFSZSA-N 316.365 -0.965 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cn(C)c(C)cc1=O 1083113087 JJXKFEZADYGBSA-GOEBONIOSA-N 315.373 -0.148 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cc2ncccn2n1 1083228930 ADWOKLHEJWMHDF-UONOGXRCSA-N 311.345 -0.112 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)C1 1083670546 DPYXFDADYRFTEZ-YPMHNXCESA-N 317.349 -0.708 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)Cc2ccc(C(N)=O)cc2)C1 1084105986 BUZAVSJJJGFPNW-OLZOCXBDSA-N 302.334 -0.987 30 20 DBED C#CCCN1CC[C@@H]2CN(C(=O)Cn3ccc(O)nc3=O)[C@@H]2C1 1084493907 IQHWSXCSIKZDPR-CHWSQXEVSA-N 316.361 -0.495 30 20 DBED C#CCCN1CC[C@@H]2CN(C(=O)C3CC(=O)NC(=O)C3)C[C@@H]2C1 1088139881 ISMRKFYGNFZLMA-OCCSQVGLSA-N 317.389 -0.157 30 20 DBED N#CCN[C@@H]1CCCCCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 1088391407 KGQXOSKNAJDAHU-MNOVXSKESA-N 307.354 -0.531 30 20 DBED CC(=O)NCC(=O)N[C@@H](C)CCCCN=c1cc[nH]c(C#N)n1 1090031301 IJRPGBGSMSGXMG-NSHDSACASA-N 318.381 -0.007 30 20 DBED CSCCC(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1O 1090368746 KIQSFKZCBDZHDC-NXEZZACHSA-N 307.379 -0.233 30 20 DBED Cc1ccnc2nc(C(=O)N[C@@H]3CCN(CC#N)C[C@@H]3O)nn12 1090772900 CEZJDGSKJXNSAN-MNOVXSKESA-N 315.337 -0.879 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)c2cc(C(N)=O)ccn2)[C@@H](O)C1 1090856510 FZDQDYXECACTKH-OCCSQVGLSA-N 318.377 -0.078 30 20 DBED CC(=O)N[C@H](C)C(=O)N[C@H]1CCN(c2ccnc(C#N)n2)[C@@H]1C 1091923318 XMVWZTBERCTFKX-FOGDFJRCSA-N 316.365 -0.044 30 20 DBED CN1CC[C@@H](C(=O)N[C@@H]2CC3(CN(CC#N)C3)n3ccnc32)C1 1092413564 WHTCJJAVOUHSOF-CHWSQXEVSA-N 314.393 -0.070 30 20 DBED Cc1cc(N2C[C@H]3C(NC(=O)[C@@H](C)C#N)[C@@H]3C2)nc(CO)n1 1093233498 ASYAIKLWZWZXNI-JMJZKYOTSA-N 301.350 -0.012 30 20 DBED C[C@@H](CC(N)=O)C(=O)N[C@H]1[C@@H]2CN(c3cnc(C#N)cn3)C[C@@H]21 1093330863 LCGJFCLFRKMWFN-HJUHTLPRSA-N 314.349 -0.589 30 20 DBED CN(C)CCC(=O)NC1[C@@H]2CN(c3ccnc(C#N)n3)C[C@@H]12 1093340688 ABJMJCBSODDZMY-GHMZBOCLSA-N 300.366 -0.149 30 20 DBED CN1CC[C@H](C(=O)N2CCC(OC3CN(CC#N)C3)CC2)C1=O 1093561141 BKQLBOKPWDENRE-AWEZNQCLSA-N 320.393 -0.320 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)NCCN=c1cc[nH]c(C#N)n1 1093874846 OQEINNORYVPIDU-GFCCVEGCSA-N 316.365 -0.231 30 20 DBED N#Cc1ccc(NCCNC(=O)[C@@H]2CCCCS2(=O)=O)nn1 1093922982 RGCYWPCNZAAOAI-NSHDSACASA-N 323.378 -0.156 30 20 DBED Cn1nnc2c(C(=O)NCCN=c3cc[nH]cc3C#N)ccnc21 1094071964 DJDGUFLMBFCMLP-UHFFFAOYSA-N 322.332 -0.106 30 20 DBED N#Cc1nc(=NCCNC(=O)[C@H]2CN3CCC[C@@H]3CO2)cc[nH]1 1094203471 TYQODIMAHSOKJB-VXGBXAGGSA-N 316.365 -0.839 30 20 DBED C#CCN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN1CCN(C)C(=O)C1)C2 1094950290 HJDWVOAOMSVICJ-ZNMIVQPWSA-N 318.421 -0.637 30 20 DBED CC(=O)N[C@@H](C)C(=O)N1CC[C@@H](Nc2cncc(C#N)n2)C1 1095010375 VLTVMQFTDCGMOJ-GXSJLCMTSA-N 302.338 -0.114 30 20 DBED CNC(=O)CC(=O)NCCCN(c1cnc(C#N)cn1)C1CC1 1096026638 KPNHAEHXDKWWNG-UHFFFAOYSA-N 316.365 -0.041 30 20 DBED Cn1nnc(C(=O)NC[C@H](Nc2ccc(C#N)nn2)C2CC2)n1 1096787750 DVJTUBSNZSOVSA-JTQLQIEISA-N 313.325 -0.508 30 20 DBED CNC(=O)NCCC(=O)N[C@H]1C[C@H](Nc2cnc(C#N)cn2)C1 1097018153 JRSKOXXXYBCDFN-MGCOHNPYSA-N 317.353 -0.274 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CCCNC1=O)Nc1cncc(C#N)n1 1098121184 VVMCAUSDQOXYER-GXSJLCMTSA-N 302.338 -0.209 30 20 DBED C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 1099167690 QHCJVTKQKVKKST-OBJOEFQTSA-N 313.423 -0.165 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)C(=O)C(C)(C)C)[C@@H](O)C1 1099747282 VVSWRXYYWQJWIO-OLZOCXBDSA-N 310.394 -0.197 30 20 DBED CCC(=CC(=O)N[C@H]1CCN(CC(=O)NCC#N)C[C@H]1O)CC 1099780648 KPELSBGXVJVMCF-UONOGXRCSA-N 322.409 -0.076 30 20 DBED Cc1nn(C)c(C)c1OCC(=O)N[C@H]1CCN(CC#N)C[C@H]1O 1099833370 VEKGYRHLJLNUDC-QWHCGFSZSA-N 321.381 -0.509 30 20 DBED C=CCN1CC[C@@H](NC(=O)CNC(=O)c2ccncc2)[C@H](O)C1 1099841495 LKNYIEDXLIUQLG-ZIAGYGMSSA-N 318.377 -0.451 30 20 DBED C#CCCN1CC[C@H](NC(=O)CNC(=O)C2CCCC2)[C@@H](O)C1 1099848161 SMYNPFMDXCLYPF-GJZGRUSLSA-N 321.421 -0.133 30 20 DBED C#CCC1(C(=O)N[C@H]2CCN(CC(=O)NC)C[C@H]2O)CCC1 1099873878 BMKXVDNMCPQEEW-QWHCGFSZSA-N 307.394 -0.523 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)C(=O)NCC(F)(F)F)[C@@H](O)C1 1100053023 IOJIHRAOWYUYAA-ZJUUUORDSA-N 323.315 -0.208 30 20 DBED CN(CCNC(=O)c1ccc(C(N)=O)o1)c1ccc(C#N)nn1 1100412385 YLYKMVVGUVRVPZ-UHFFFAOYSA-N 314.305 -0.094 30 20 DBED CCN(CCNC(=O)C(=O)NCC1CC1)c1ccc(C#N)nn1 1100596552 ZFCWKMGCLOGAJZ-UHFFFAOYSA-N 316.365 -0.183 30 20 DBED CC#CCNC1CC(CNC(=O)CCS(=O)(=O)N(C)C)C1 1101019976 CEUXUCLJZDUXOL-UHFFFAOYSA-N 315.439 -0.224 30 20 DBED CCCN(CCNC(=O)[C@@H]1CCNC1=O)c1cncc(C#N)n1 1101220390 DMBZRVDEYQNIDT-GFCCVEGCSA-N 316.365 -0.183 30 20 DBED C[C@@H](CNc1cnc(C#N)cn1)N(C)C(=O)Cn1cnnc1O 1104526518 JDXUTRXAKYIWKX-VIFPVBQESA-N 316.325 -0.396 30 20 DBED CNC(=O)NCCC(=O)N(C)[C@@H](C)CNc1ccc(C#N)nn1 1104546836 HPJOANCGIAWDAU-JTQLQIEISA-N 319.369 -0.074 30 20 DBED Cc1cnc(C(=O)NC[C@H](O)CNc2cnc(C#N)cn2)cn1 1105709922 RNJHJLOVQJOWCQ-LLVKDONJSA-N 313.321 -0.351 30 20 DBED Cc1cc(=NC[C@H](O)CNC(=O)[C@@H]2CCOC2)c(C#N)c[nH]1 1105737954 MGLZHYJBGBYLFU-YPMHNXCESA-N 304.350 -0.391 30 20 DBED Cc1cc(=NC[C@H](O)CNC(=O)[C@@H]2CCCOC2)c(C#N)c[nH]1 1105742783 UJZQKUYTRLQZPH-OCCSQVGLSA-N 318.377 -0.001 30 20 DBED N#Cc1cnc(NC[C@H](O)CNC(=O)Cc2cnc[nH]2)c(F)c1 1106130537 VMSGNAGNHBKEPG-LLVKDONJSA-N 318.312 -0.053 30 20 DBED N#Cc1cnc(NC[C@@H](O)CNC(=O)CCc2cn[nH]c2)cn1 1106131851 LSFVIRXYPIAEBW-GFCCVEGCSA-N 315.337 -0.407 30 20 DBED C=C[C@@](C)(O)CC(=O)NC/C=C/CNc1ccc2nnnn2n1 1107148011 AKNLKKOKFYKYAN-ISZGNANSSA-N 317.353 -0.069 30 20 DBED N#CCN1CC(n2cc(CNC(=O)C[C@H]3CCOC3)nn2)C1 1107150635 SEINKBHDQBZHDO-LLVKDONJSA-N 304.354 -0.299 30 20 DBED C#CCN1CC(n2cc(CNC(=O)COCCOCC)nn2)C1 1107238707 LZBXGTFWSJFIQJ-UHFFFAOYSA-N 321.381 -0.563 30 20 DBED N#Cc1ccc(NC/C=C\CNC(=O)[C@H]2CNC(=O)N2)nc1 1107493099 ZLNPUPOHWSBIAI-RFMOXSJOSA-N 300.322 -0.281 30 20 DBED C=CCN1CCO[C@](C)(CNC(=O)C2CS(=O)(=O)C2)C1 1107967245 QHUSRJVUPCYKPO-CYBMUJFWSA-N 302.396 -0.576 30 20 DBED C[C@@]1(CNC(=O)C[C@H]2CCCC(=O)N2)CN(CC#N)CCO1 1108063617 UKINKCAMBMJFDM-IUODEOHRSA-N 308.382 -0.224 30 20 DBED C#CCCN1CCO[C@](C)(CNC(=O)[C@@H]2CN(CC)CCO2)C1 1108410406 QSRXFURIYHHXRO-DOTOQJQBSA-N 323.437 -0.063 30 20 DBED N#Cc1nccc(NC2(CNC(=O)[C@H]3CCNC(=O)C3)CC2)n1 1110120534 JXAHDXQYDOVWLK-JTQLQIEISA-N 314.349 -0.065 30 20 DBED N#Cc1cnc(NC2(CNC(=O)C(N)=O)CCOCC2)c(F)c1 1111000145 ZNVVELLBUKMROF-UHFFFAOYSA-N 321.312 -0.345 30 20 DBED CC(C)(O)CC(=O)NC[C@@]1(O)CCN(c2cncc(C#N)n2)C1 1111066538 UTLYCFCPCLJXBJ-HNNXBMFYSA-N 319.365 -0.433 30 20 DBED N#Cc1ccc(N2CCC(CO)(NC(=O)CC(N)=O)CC2)nc1 1112656869 GBMMEOZJUXLJHZ-UHFFFAOYSA-N 317.349 -0.724 30 20 DBED CCOCC(=O)NC[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1O 1112692473 NYQYTPRFRLYKRK-BXUZGUMPSA-N 304.350 -0.097 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@H]3CC[C@H]2O3)CC1 1112715027 FCLYJPJDBAIBBI-JHJVBQTASA-N 306.366 -0.662 30 20 DBED C=C(C)CN(CC)C(=O)[C@H](C)N1CCN(C(=O)CC(N)=O)CC1 1112734811 MMVUXRIAJOCJTB-ZDUSSCGKSA-N 324.425 -0.181 30 20 DBED C#CCOCCC(=O)NC[C@H]1CN(c2nc(C)ns2)C[C@H]1O 1112738524 PYDNSALENTXWEH-NWDGAFQWSA-N 324.406 -0.200 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)c2cnn(CC)n2)CC1 1112821146 MRJSRRVTCICZAJ-LBPRGKRZSA-N 320.397 -0.254 30 20 DBED Cc1cc(=N[C@H](C)[C@@H](C)NC(=O)Cn2cnnn2)c(C#N)c[nH]1 1112905100 HXWGUVBIXUKEEO-GHMZBOCLSA-N 314.353 -0.325 30 20 DBED NC(=O)NCC(=O)NC1[C@@H]2CN(CC#Cc3ccccc3)C[C@@H]12 1113849589 MBRZBQTUGCJJDQ-ZIAGYGMSSA-N 312.373 -0.247 30 20 DBED Cn1nncc1CN1C[C@@H]2C(NC(=O)CSCC#N)[C@H]2C1 1113891836 YPZGFAGMHOLSHW-QWRGUYRKSA-N 306.395 -0.382 30 20 DBED C=CCOCCN1C[C@H]2C(NC(=O)CN3CCOCC3)[C@@H]2C1 1114147063 PCPJXAXJXJDOQW-ZIAGYGMSSA-N 309.410 -0.432 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H]1[C@@H]2CN(CC(=O)N(CC)CC)C[C@@H]21 1114271162 QJKKEVGJTOBOTH-TTZDDIAXSA-N 321.421 -0.061 30 20 DBED N#Cc1nccc(N2C[C@H]3[C@H](CNC(=O)Cn4cncn4)[C@H]3C2)n1 1114549453 JVPQWQRGACAWLS-CNDDSTCGSA-N 324.348 -0.562 30 20 DBED C=CCCCN1C[C@@H]2C(NC(=O)CNS(=O)(=O)NC)[C@H]2C1 1114624244 NXQOHVWGLUYFKI-QWRGUYRKSA-N 316.427 -0.947 30 20 DBED C[C@@H]1C[C@@H](CNc2nccnc2C#N)CN1C(=O)CNC(N)=O 1114666802 IBIOWGMSMZAFLS-ZJUUUORDSA-N 317.353 -0.335 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)[C@@H]3CCN(C)C3=O)[C@@H]2C1 1114714634 WKKUBNJNWVBANK-YNEHKIRRSA-N 305.378 -0.839 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)C(=O)Nc2cnn(CCF)c2)C1 1118874540 DWZSGUFKKIORGD-CYBMUJFWSA-N 309.301 -0.332 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)Nc1cccn(C)c1=O 1118939209 VFZLAYSFDMCFPE-NSHDSACASA-N 305.334 -0.132 30 20 DBED N#Cc1cncc(N[C@@H](CO)CNC(=O)CC2(O)CCC2)n1 1121529118 UUTCYJHBJSTBHM-LLVKDONJSA-N 305.338 -0.458 30 20 DBED Cc1cc(=N[C@@H](CO)CNC(=O)c2cccnn2)c(C#N)c[nH]1 1121943511 MATCYLJODGZJRP-GFCCVEGCSA-N 312.333 -0.324 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H](CO)Nc1ccc(C#N)nn1 1122037650 YBRRCJFWGMMNFY-JQWIXIFHSA-N 303.322 -0.724 30 20 DBED N#Cc1cnc(N[C@H](CO)CNC(=O)C2(C(N)=O)CC2)c(F)c1 1122450717 AATKRRPXXPQTHX-VIFPVBQESA-N 321.312 -0.753 30 20 DBED Cc1nc(N[C@H](CO)CNC(=O)[C@H]2C[C@H]2C(N)=O)ccc1C#N 1122567931 NCFBHOXQKXYIQR-TUAOUCFPSA-N 317.349 -0.728 30 20 DBED Cc1nc(C)c(C(=O)NC[C@H](CO)Nc2ccc(C#N)nn2)[nH]1 1122594570 UDUPQSUAZNXAQY-LLVKDONJSA-N 315.337 -0.109 30 20 DBED CN(C)CCCC(=O)N(C)C[C@H](O)CN=c1cc[nH]cc1C#N 1124683889 STZVUYSRLUBDDL-CQSZACIVSA-N 319.409 -0.052 30 20 DBED C[C@@H](C#N)C(=O)NCCNCC(=O)N1CCOC[C@H]1C1CC1 1124895334 GHCGXCQNFFJKDL-AAEUAGOBSA-N 308.382 -0.511 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)c2cc(OC)no2)C1=O 1126072966 AHYUEKZMDFIULO-SNVBAGLBSA-N 308.338 -0.211 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cn2c(n1)CC[C@@H](C)C2 1130222062 ZLDLFUVOKZCVKT-GFCCVEGCSA-N 317.393 -0.466 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)c1cn(C)nc1C 1133937042 UISCFHAKKFWJLB-RYUDHWBXSA-N 319.409 -0.036 30 20 DBED C=C(C)CN[C@H](C)C[C@H](C)NC(=O)CNC(=O)CNC(C)=O 1134770682 PYZASFQCOBJBBI-NEPJUHHUSA-N 312.414 -0.312 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)CCCN(C)C 1135317352 YBQRDCDSWMIQOQ-KGLIPLIRSA-N 310.442 -0.050 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)c1ccncn1 1135716792 XJZTVAVMSLAJES-RYUDHWBXSA-N 303.366 -0.288 30 20 DBED C=C(C)CN(CC)C(=O)CNCCNC(=O)Cc1nc[nH]n1 1147278281 YDYUGGSYZQVCQX-UHFFFAOYSA-N 308.386 -0.522 30 20 DBED C#CCOCCC(=O)N1CC2(CCN(Cc3nc(O)n[nH]3)C2)C1 1147535153 VMYKZHMYVNDJRL-UHFFFAOYSA-N 319.365 -0.416 30 20 DBED N#CCN1CCC2(C1)CN(C(=O)CCNC(=O)[C@H]1CCCO1)C2 1148910879 VNISRYSFZMZQNF-CYBMUJFWSA-N 320.393 -0.270 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1c(OC)cccc1OC 1148945276 YYDZISYMAVLHJX-UHFFFAOYSA-N 319.361 -0.227 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)CNC(=O)[C@@H](C)CC)C1=O 1151366608 PAVXMBMESJADMT-QWHCGFSZSA-N 324.425 -0.359 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCCNCC(=O)N1CCOCC1 1157189017 FIMSMTQNTDZKML-OAHLLOKOSA-N 313.398 -0.732 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@H]1OCC[C@H]1C(C)C 1158243529 OVTCUTKJYXRHBG-ZFWWWQNUSA-N 309.410 -0.107 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)[C@@]1(F)CCOC1 1164563667 RDXVMJIIIQZRML-BXUZGUMPSA-N 301.362 -0.098 30 20 DBED N#Cc1ccc(F)c(CNCCCNC(=O)[C@@H]2CNC(=O)N2)c1 1165469518 ZTSDAZVGEBFTOG-ZDUSSCGKSA-N 319.340 -0.025 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](NCc2cnns2)[C@@H]1C 1178508463 FJHAWNMNXTZUOU-JQWIXIFHSA-N 321.406 -0.243 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)CC2CCN(C)CC2)C1 1186082625 LVYDEIHTAIYZGH-OAHLLOKOSA-N 320.437 -0.342 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2nonc2C)C1 1188405125 FRXPQEBVRARBIQ-GHMZBOCLSA-N 307.354 -0.127 30 20 DBED C#CCCCCC(=O)N1CC[C@@H](N(C)CC(=O)NC(N)=O)C1 1189744404 RPIDULGACBRJHC-GFCCVEGCSA-N 308.382 -0.092 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)c2ncccc2O)C1 1192374693 HZSJLCHLNSUECQ-DGCLKSJQSA-N 305.334 -0.788 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)c2nn(C)cc2C)C1 1192769749 AJFJBQOBDSLDRV-CHWSQXEVSA-N 306.366 -0.847 30 20 DBED C=CCNC(=O)[C@H](C)N(C)[C@H]1CCN(C(=O)c2cnn(C)n2)C1 1192847887 UCPZFPJKNJCMGV-RYUDHWBXSA-N 320.397 -0.348 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(C[C@@H]2CCCCO2)C[C@H]1O 1192878455 FACWYNFBDIZLED-RRFJBIMHSA-N 310.394 -0.243 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)[C@]2(C)CCOC2)C1 1193047670 ISMSSNUHITYXON-XJKSGUPXSA-N 307.394 -0.305 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@@H]1CCN(C(=O)Cc2ncc[nH]2)C1 1193066085 GQOAJXRNIXQBNN-QWHCGFSZSA-N 317.393 -0.377 30 20 DBED N#CCNC(=O)CN1CCCN(C(=O)C[C@H]2COC(=O)C2)CC1 1195480551 IQTWUVIDQFGBJM-GFCCVEGCSA-N 322.365 -0.886 30 20 DBED C=C[C@](C)(CC)C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[nH]2)C[C@H]1O 1195932192 ICZUABOHTACGTG-UEKVPHQBSA-N 323.397 -0.628 30 20 DBED C#CCNC(=O)[C@H](C)N1CCCN(C(=O)[C@H](C)CC(N)=O)CC1 1196769864 IGNLVKXQNXSVMU-OLZOCXBDSA-N 322.409 -0.830 30 20 DBED C=C(C)CN(CC)C(=O)CN1CCCN(C(=O)C(N)=O)CC1 1196999887 BPSGBHHLKUKUEL-UHFFFAOYSA-N 310.398 -0.569 30 20 DBED C=CCCCN1C[C@@H](O)[C@H](NC(=O)c2ccc(=O)n(C)n2)C1 1198400877 RITORMQDZYRZHS-CHWSQXEVSA-N 306.366 -0.479 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)C(=O)Nc2ccc(C)cc2)C1 1198551748 VKCKIAVYCPEDLP-ZIAGYGMSSA-N 301.346 -0.272 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(NCC(=O)NC(=O)NC2CC2)CC1 1199826129 GHNSXDBAHLBPEU-JTQLQIEISA-N 321.381 -0.285 30 20 DBED C=CCn1cc(C(=O)N2CCCO[C@H](CNC[C@H](C)O)C2)nn1 1201586121 XEISCXYTXKNQQG-QWHCGFSZSA-N 323.397 -0.334 30 20 DBED COCC#CCNC1CCN(C(=O)C(=O)NCC2CC2)CC1 1203115341 OJDOLOWYDPNNPU-UHFFFAOYSA-N 307.394 -0.257 30 20 DBED C=CCNC(=O)[C@H](C)NCC1CCN(C(=O)CNC(C)=O)CC1 1204301829 QREQZJGXUFHKNL-LBPRGKRZSA-N 324.425 -0.359 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)CNC(N)=O)[C@@H]1COC[C@@H]12 1205474349 VULWIZOJNCNEED-QWHCGFSZSA-N 320.393 -0.773 30 20 DBED CN1CC[C@H](C(=O)N2CCC(CNCC#N)CC2)S1(=O)=O 1206556357 QRQMEACQDDYRRM-GFCCVEGCSA-N 314.411 -0.628 30 20 DBED CCCNC(=O)NC(=O)CN[C@@H]1CCCN(C(=O)[C@H](C)C#N)C1 1207688438 PEQCQEOHJJZYOP-VXGBXAGGSA-N 323.397 -0.038 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)Cc2cc[nH]n2)C1 1207731937 XAIBWITVMPGANC-CYBMUJFWSA-N 305.382 -0.165 30 20 DBED C=CCCCN[C@H]1CCCN(C(=O)CN2CCNC(=O)C2)C1 1208930169 KCEACRMSYGAUNI-AWEZNQCLSA-N 308.426 -0.035 30 20 DBED COCC[C@@H](C)C(=O)N1CCC[C@@H](NCC(=O)NCC#N)C1 1211162197 ZKMNAISEKSCEOW-CHWSQXEVSA-N 310.398 -0.121 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)c2cccn2C)[C@H](OC)C1 1211855251 HXASEDCSIVJDPW-TZMCWYRMSA-N 320.393 -0.244 30 20 DBED C=CCOCC(=O)N1C[C@@H](NCCN2CCNC2=O)[C@H](C)C1 1214333776 MOIWNDKUPOYATO-CHWSQXEVSA-N 310.398 -0.349 30 20 DBED C=CCOCC(=O)N1CCO[C@@H]2CN([C@H](CC)C(N)=O)C[C@@H]21 1217537994 MXJLYWSRSRRKEH-FRRDWIJNSA-N 311.382 -0.636 30 20 DBED CC(C)C#CC(=O)N1CCO[C@@H]2CN([C@@H]3CCN(C)C3=O)C[C@@H]21 1217839244 GYROSGCBYBDHJU-QLFBSQMISA-N 319.405 -0.212 30 20 DBED COc1nccc(CN2C[C@H](O)[C@H](NC(=O)[C@H](C)C#N)C2)n1 1219379775 YLRSEPWVEDXGEY-JLLWLGSASA-N 305.338 -0.694 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(CCOCC(F)F)C[C@@H]1O 1219536760 YIZMGBMPKLQMJI-UHIISALHSA-N 322.352 -0.244 30 20 DBED C=C(C)CCC(=O)N[C@@H]1CN([C@@H]2CCC(=O)NC2=O)C[C@@H]1O 1219718953 WZSLUPXDNGSTMC-UTUOFQBUSA-N 309.366 -0.691 30 20 DBED C=CCOCCN1CC[C@@H]2CN(C(=O)CCNC(N)=O)[C@@H]2C1 1222005715 MEPOLCPRKWQPKG-CHWSQXEVSA-N 310.398 -0.220 30 20 DBED C=CCO[C@@H](C)C(=O)N1C[C@H]2CCN(Cc3nnnn3C)C[C@H]21 1222069664 VIWIDUWWSXOULG-YNEHKIRRSA-N 320.397 -0.166 30 20 DBED N#CCN1CCC(NC(=O)CCCn2c(O)nnc2O)CC1 1228096193 MHXOZUCPNXMGSS-UHFFFAOYSA-N 308.342 -0.426 30 20 DBED CC[C@@H](C(=O)NC1CCN(CC(=O)NCC#N)CC1)N(C)C 1229222564 ANKZXYGXTZGWLZ-ZDUSSCGKSA-N 309.414 -0.453 30 20 DBED C=C(C)COCCNC(=O)C(=O)NCCCN1CCOCC1 1261160162 SKMUAAYVDMVPEJ-UHFFFAOYSA-N 313.398 -0.466 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)OCC[C@@H]2CCOC2)C1=O 1261293241 GALLAWPTDCDADB-JTQLQIEISA-N 310.306 -0.067 30 20 DBED CN(C[C@H](O)CNC(=O)C#CC1CC1)C(=O)C[C@H]1CCOC1 1281268131 BPJLXBOKSKHPRK-ZIAGYGMSSA-N 308.378 -0.238 30 20 DBED CC(=O)OC(C)(C)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1320786172 MHCQFBCSAPQUOF-VAWYXSNFSA-N 309.322 -0.029 30 20 DBED CS(=O)(=O)c1ccc(NC(=O)C(=O)NCC2(C#N)CC2)cn1 1321261220 BSRIGUWEOWOXEV-UHFFFAOYSA-N 322.346 -0.156 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N[C@@H]1CC(=O)N(C(C)C)C1 1322244313 CFZBXCUEISBKKE-CYBMUJFWSA-N 303.362 -0.403 30 20 DBED CC(C)C(=O)NCCCNC(=O)C(=O)N1CCO[C@H](C#N)C1 1324370936 JICQRJYSPPJXBK-LLVKDONJSA-N 310.354 -0.984 30 20 DBED CCOC(=O)C1([S@](C)=O)CCN(C(=O)C#CCOC)CC1 1330849897 MIUWBTGQSWJZML-NRFANRHFSA-N 315.391 -0.061 30 20 DBED N#CCn1cc(NC(=O)C(=O)N2CC[C@]3(CCOC3)C2)cn1 1334541197 ZTKQOMUJBCEJIQ-AWEZNQCLSA-N 303.322 -0.016 30 20 DBED C#CCN(C)c1nnc(CCc2nn[nH]n2)n1C[C@@H]1CCOC1 1344079328 UOWGSTZOGGQUKH-NSHDSACASA-N 316.369 -0.318 30 20 DBED C=CCCC[C@H](C)NC(=O)C(=O)NCC(=O)N1CCOCC1 1346239000 FMTREFGARWPZOY-LBPRGKRZSA-N 311.382 -0.178 30 20 DBED N#Cc1cn(CC(=O)N2CCCC[C@@H]2CCO)c(=O)nc1O 1361908196 RNPBZRIXONUXSS-LLVKDONJSA-N 306.322 -0.416 30 20 DBED N#C[C@]1(F)CCN(C(=O)c2nc3ncc(CCO)cn3n2)C1 1362679905 SXAHNNPMOGSTGU-CYBMUJFWSA-N 304.285 -0.263 30 20 DBED COC(=O)c1cc(C#N)c(=O)n(C[C@@H]2CCS(=O)(=O)C2)c1 1363175047 HBDOREAKNAYYEL-VIFPVBQESA-N 310.331 -0.059 30 20 DBED C[C@@H](CNC(=O)[C@H](C)C#N)NC(=O)c1nc2ncccn2n1 1373061879 GSHZPHLPBCTATJ-BDAKNGLRSA-N 301.310 -0.482 30 20 DBED CC(C)NC(=O)NC(=O)[C@H](C)N1CC(CNC(=O)[C@@H](C)C#N)C1 1377959528 HQLZWAXEPCCHLV-QWRGUYRKSA-N 323.397 -0.183 30 20 DBED C[C@H](C#N)C(=O)N1CCC2(CN(C(=O)CCNC(N)=O)C2)C1 1383604376 GWERSCZMVYJHHQ-SNVBAGLBSA-N 307.354 -0.735 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](NC(=O)CNC(=O)N2CCCC2)C1 1385570732 IHPUFUXGSZFQFS-VXGBXAGGSA-N 321.381 -0.331 30 20 DBED C[C@@H](CNC(=O)c1cnc(O)n1C)NC(=O)c1cc(C#N)c[nH]1 1386428938 PTZXDWKLAVNGHL-QMMMGPOBSA-N 316.321 -0.126 30 20 DBED CNC(=O)NC(=O)[C@H](C)N1C[C@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2C1 1393414902 LQXUBJGFGMBSSP-FIQHERPVSA-N 321.381 -0.620 30 20 DBED CNC(=O)NC(=O)[C@H](C)N(C)C1CCN(C(=O)[C@H](C)C#N)CC1 1394386532 JJPXDQWKOPLAKV-MNOVXSKESA-N 323.397 -0.087 30 20 DBED CCS(=O)(=O)CCn1c(C)nnc1N1CCO[C@H](C#N)C1 1396067141 XDMFRKWTVQIAFE-LLVKDONJSA-N 313.383 -0.250 30 20 DBED C[C@H](C#N)C(=O)NC1CCN(C(=O)c2nccnc2N)CC1 1396822713 PODCYLLWZXFJAI-SECBINFHSA-N 302.338 -0.061 30 20 DBED CCC(=O)NCC(=O)N1CC2(CCN(C(=O)[C@H](C)C#N)C2)C1 1405996887 MFTGMJWHFCSJFJ-LLVKDONJSA-N 306.366 -0.267 30 20 DBED CNC(=O)NC(=O)CN1CC(CNC(=O)c2cc(C#N)c[nH]2)C1 1421127932 MUYBGZIWHIMMRV-UHFFFAOYSA-N 318.337 -0.996 30 20 DBED C=C(Cl)CN1CC(O)(CNC(=O)C[C@H]2CCN(C)C2=O)C1 1421458260 UOPXABBKACUZDR-LLVKDONJSA-N 315.801 -0.230 30 20 DBED C[C@@H](CNC(=O)CS(=O)(=O)C(C)(C)C)NC(=O)[C@H](C)C#N 1431901532 REYUWWBODXJRDK-ZJUUUORDSA-N 317.411 -0.020 30 20 DBED C[C@@H](CNC(=O)CCCS(C)(=O)=O)CNC(=O)[C@@H](C)C#N 1432984949 YDGPAILIULVWKV-QWRGUYRKSA-N 317.411 -0.161 30 20 DBED N#Cc1ccc(C(=O)NC[C@H](O)CNC(=O)c2cncs2)[nH]1 1433250263 FAURXXCBJGVRRR-VIFPVBQESA-N 319.346 -0.136 30 20 DBED CCO[C@H]1C[C@@](O)(CNc2[nH]c(=O)n(C)c(=O)c2C#N)C1(C)C 1434444701 PAXBFEYMSAEESU-ZUZCIYMTSA-N 322.365 -0.077 30 20 DBED COCCN(CCNC(=O)[C@@H](C)C#N)C(=O)c1cnn(C)c1N 1452150120 HBEPJZXUGDIDEQ-JTQLQIEISA-N 322.369 -0.633 30 20 DBED CS[C@@H](C)C(=O)NC[C@H](O)CNC(=O)c1cc(C#N)c[nH]1 1452289355 OOXKFPRKZNQPMA-WPRPVWTQSA-N 310.379 -0.155 30 20 DBED CC(=O)N(C)CC(=O)NCC1(NC(=O)c2ccc(C#N)[nH]2)CC1 1458866742 IGBXRJKOTDANHE-UHFFFAOYSA-N 317.349 -0.257 30 20 DBED COC[C@H](NS(=O)(=O)Cc1ccc(F)cc1C#N)C(N)=O 1475113030 RTPPKRGPNUTJRU-NSHDSACASA-N 315.326 -0.383 30 20 DBED CCN(CCC#N)C(=O)CN1CC(NC(=O)c2cocn2)C1 1481549746 IGGISKVRBCBVJC-UHFFFAOYSA-N 305.338 -0.149 30 20 DBED CCNC(=O)NC(=O)CN(C)CCCN(C)C(=O)[C@H](C)C#N 1502167365 WPSZHICHECPDRC-LLVKDONJSA-N 311.386 -0.228 30 20 DBED CCN(CCNC(=O)[C@H](C)CC(N)=O)C(=O)c1cc(C#N)c[nH]1 1528995395 OWAKDUXXOITPLA-SNVBAGLBSA-N 319.365 -0.024 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@H]1COCCN1CCc1cnn[nH]1 1575075031 ZCESGSLSULZRHA-HIFRSBDPSA-N 323.397 -0.509 30 20 DBED CN(C)C[C@]1(O)CCN(C(=O)C2CC3(CNC[C@@H]3C#N)C2)C1 1578412849 VMKGBPCXMDACBL-UNRBTCAZSA-N 306.410 -0.349 30 20 DBED C#C[C@@H]1CCCCN1C(=O)C(=O)NC1CCN(CC(=O)O)CC1 1588385792 JDOASWVKZSQAGU-CYBMUJFWSA-N 321.377 -0.334 30 20 DBED C#CC[C@H](NC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O)C(=O)O 1588404661 FEFCXMBPDQVKTJ-XPTSAGLGSA-N 307.306 -0.700 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H](Cn1cncn1)C(=O)O 1588547991 PIZFRAGDZGGUJG-GHMZBOCLSA-N 309.326 -0.682 30 20 DBED C[C@@H]1C[C@H](C(=O)O)CN(S(=O)(=O)N2CCO[C@H](C#N)C2)C1 1589282395 QDMWLYVCXUGNPW-OUAUKWLOSA-N 317.367 -0.502 30 20 DBED N#Cc1sccc1N1CCN(CC(=O)NCC(=O)O)CC1 1594635057 HRNSFIFWURILNJ-UHFFFAOYSA-N 308.363 -0.057 30 20 DBED Cc1nc(C#N)c(N2CCC(C(=O)N[C@@H](CO)C(=O)O)CC2)o1 1600682880 WNGLEUYVQDBFLE-NSHDSACASA-N 322.321 -0.367 30 20 DBED C#CCn1ccc(CN(CCOC)CC(=O)NCC(=O)O)n1 1602704312 COIRMBNMOCUKPS-UHFFFAOYSA-N 308.338 -0.835 30 20 DBED C[C@H](NC(=O)[C@H](C)NS(=O)(=O)N(C)[C@@H](C)CC#N)C(=O)O 1604060811 ONSLQIPKQZJSLQ-CIUDSAMLSA-N 320.371 -0.967 30 20 DBED C[C@H](OC(=O)[C@H](O)c1ccc(C#N)cc1)C(=O)NCC(=O)O 1609790529 SWMGEHVELWLDPY-QPUJVOFHSA-N 306.274 -0.276 30 20 DBED Cc1c(NC(=O)C(=O)NCC(C)(C)C#N)cnn1CC(=O)O 1610421659 SJFSQTXWHGYULW-UHFFFAOYSA-N 307.310 -0.119 30 20 DBED CS(=O)(=O)N1CC[C@H](NC(=O)N2CC[C@@](O)(CC#N)C2)C1 1645898270 DDKBNJSIACHHRJ-JQWIXIFHSA-N 316.383 -0.920 30 20 DBED COC(=O)Cc1cccc(NC(=O)Cn2cnc(C#N)n2)n1 1647156003 ORTCAILMQMEWRG-UHFFFAOYSA-N 300.278 -0.101 30 20 DBED COCC(C)(C)CC(=O)N[C@H]1C[C@@H](NCC(=O)NCC#N)C1 1752746001 NXCCAPBZGGIGGQ-TXEJJXNPSA-N 310.398 -0.074 30 20 DBED C#CCNC(=O)CN1CCC[C@@H]1CNC(=O)c1snnc1C 1753098038 CEUZIMZUGKMQFC-LLVKDONJSA-N 321.406 -0.210 30 20 DBED C#CCNC(=O)CN(C)C[C@@H]1CCN(C(=O)CN2CCCC2)C1 1753358894 BWVCCYVVKHHYDN-HNNXBMFYSA-N 320.437 -0.388 30 20 DBED C#CCNC(=O)CNC[C@H](C)N(C)C(=O)[C@@]1(C)CCNC(=O)C1 1753699254 SVCVBAIXLIRQSN-LRDDRELGSA-N 322.409 -0.911 30 20 DBED C#CCNC[C@H]1CCCC[C@H]1NC(=O)Cn1nc(C)n(C)c1=O 1754351132 KSVLNKMPSKZVDR-ZIAGYGMSSA-N 319.409 -0.212 30 20 DBED C=CCN1CC[C@](C)(NC(=O)CN2CCCS2(=O)=O)C1 1754674174 OYCYZYTXQDRUGL-ZDUSSCGKSA-N 301.412 -0.212 30 20 DBED C=CCCN1CC[C@](O)(CNC(=O)CCCS(N)(=O)=O)C1 1754754480 LHDNKLSLYDYHRX-ZDUSSCGKSA-N 319.427 -0.816 30 20 DBED C#CCCN1CC[C@@](O)(CNC(=O)[C@H](C)N2C(=O)CCC2=O)C1 1754755457 XCUMGIBILWNMAS-BLLLJJGKSA-N 321.377 -0.900 30 20 DBED C=CCOCCN1CC(O)(CNC(=O)Cc2ccn(C)n2)C1 1754767773 RYFIHRNPZOKYGU-UHFFFAOYSA-N 308.382 -0.672 30 20 DBED C#CCNC(=O)[C@H](C)NCCN(CCO)C(=O)c1cc(C)co1 1754889378 QKUHEZGRRYHGID-ZDUSSCGKSA-N 321.377 -0.250 30 20 DBED COCC#CCN1CC2(C1)CN(C(=O)[C@H](C)COC)CCO2 1755049379 SCZWGNMGQYIZPO-CQSZACIVSA-N 310.394 -0.168 30 20 DBED CC/C=C(/C)C(=O)N[C@H]1COC2(C1)CN(CC(=O)NCC#N)C2 1755059027 NFYLFZKKXREPDM-TWEXNZEWSA-N 320.393 -0.058 30 20 DBED C=CCNC(=O)CN[C@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@H]1C 1755109561 CALPOENZMZAJBW-MNOVXSKESA-N 310.398 -0.763 30 20 DBED Cc1ccc(C(=O)N2C[C@H](C)[C@@H](NCC(=O)NCC#N)C2)nn1 1755109684 XOAVJUQSKABHKK-GWCFXTLKSA-N 316.365 -0.525 30 20 DBED C[C@@H]1C[C@H](NC(=O)c2ccnnc2)CCN1CC(=O)NCC#N 1755163207 FDHRXDTWPQUUOZ-DGCLKSJQSA-N 316.365 -0.301 30 20 DBED C#CCCN1CCC(CO)(NC(=O)C[C@@H]2CCNC2=O)CC1 1755178127 QTPIKYZPUYEMQG-ZDUSSCGKSA-N 307.394 -0.521 30 20 DBED COc1cc(C(=O)NC2CC(CNCC(=O)NCC#N)C2)on1 1755209445 AEOORCKXHFQITG-UHFFFAOYSA-N 321.337 -0.579 30 20 DBED C=CCNC(=O)CN1CC([C@@H](C)NC(=O)C[C@H]2COC(=O)C2)C1 1755372705 GPWHHBOWOQWJGW-VXGBXAGGSA-N 323.393 -0.322 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H](C)CN(C)C(=O)c1cc(C)ncn1 1755581756 NNZCZHHGPQCYKD-OLZOCXBDSA-N 317.393 -0.027 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@H](O)CN(C)C(=O)c1cc[nH]c1 1755781053 QMVPWMSHEPSBGX-YPMHNXCESA-N 306.366 -0.825 30 20 DBED C=CCNC(=O)[C@@H](C)NC[C@H](O)CN(C)C(=O)c1ccncn1 1755791807 OOPZGLYUJCQMNS-NEPJUHHUSA-N 321.381 -0.810 30 20 DBED C#CCCCC(=O)NC1(CCO)CN(C(=O)Cn2nccn2)C1 1756080163 RYICOXOZEPESQR-UHFFFAOYSA-N 319.365 -0.839 30 20 DBED C#CCOCCC(=O)N[C@@H](CO)CNC(=O)c1ccc(C)nc1 1756503573 KKFGACPHIIXNNV-CQSZACIVSA-N 319.361 -0.363 30 20 DBED C=CC(C)(C)C(=O)N[C@H](CO)CNC(=O)c1n[nH]c(C)c1O 1756514161 SQSWQCKIMBRWMA-VIFPVBQESA-N 310.354 -0.157 30 20 DBED C=CCOCC(=O)N[C@@H](CO)CNC(=O)c1c[nH]c(C)cc1=O 1756547694 JUCDEQJVVFSDKW-LLVKDONJSA-N 323.349 -0.907 30 20 DBED C=CCOCC(=O)N1CC[C@@H](NC(=O)c2cc[nH]n2)[C@H](O)C1 1757561373 HMCZBDXKOVBWRK-ZYHUDNBSSA-N 308.338 -0.696 30 20 DBED NC(=O)CNC(=S)NN=Cc1c(C(=O)O)ccc2c1OCO2 1776042342 GXRKKSIYTDQYTR-UHFFFAOYSA-N 324.318 -0.603 30 20 DBED C[C@@]1(C(=O)O)CN(S(=O)(=O)N2CCC(C#N)CC2)CCO1 1776507709 XNFUNNUWNAOLBQ-LBPRGKRZSA-N 317.367 -0.358 30 20 DBED N#CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3CC(=O)C3)[C@H]2C1 1792160510 AXLIXXNSNXVVDP-BPNCWPANSA-N 319.361 -0.141 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c[nH]nc1C 1798661210 NTMKHDSQYGFENP-GNXNZQSNSA-N 302.334 -0.445 30 20 DBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)C(C)C)CCO2 1830877124 XTVXKFLITNEKBI-ZBFHGGJFSA-N 324.377 -0.907 30 20 DBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)C(C)C)C2)C1 1839806670 VLZPBERJPNHTCH-HOCLYGCPSA-N 324.377 -0.907 30 20 DBED C[C@H](C(=O)N1CC2(CCCN2C(=O)CC#N)C1)n1cnnn1 1842624482 ZFSBCCJJISZQIL-SNVBAGLBSA-N 303.326 -0.649 30 20 DBED C[C@@H](C#N)OC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 16162079 ZVEJMAIWFPCLEA-QMMMGPOBSA-N 305.294 -0.721 30 20 DBED C#CCN1CCN(C(=O)CN2C(=O)NC(CC)(CC)C2=O)CC1 128222638 ACKDLZNJZPTZQC-UHFFFAOYSA-N 320.393 -0.126 30 20 DBED C#CCCCC(=O)N1CCN(C(=O)CN2CCOCC2)CC1 192048201 ACYUBVYEMHWMEH-UHFFFAOYSA-N 307.394 -0.207 30 20 DBED C[C@H](C(=O)NC(=O)NCC(F)(F)F)N1CCO[C@@H](C#N)C1 245951759 ZJAQIAFHVQAOHC-SFYZADRCSA-N 308.260 -0.013 30 20 DBED C[C@@H](O)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 270737328 DZJILPNDIQWZAU-LLVKDONJSA-N 323.374 -0.228 30 20 DBED CNS(=O)(=O)CCNC(=O)[C@@H](C)Oc1ccc(C#N)cc1 275944810 YHMGFWLHRDHPJI-SNVBAGLBSA-N 311.363 -0.009 30 20 DBED CCOC(=O)CO/N=C(/C(=O)N[C@@H](C)CCO)c1cc[nH]n1 278488184 JSYATSDKVIMNQY-NXVNHVPESA-N 312.326 -0.419 30 20 DBED N#Cc1ccc(S(=O)(=O)NCCC(=O)N2CCOCC2)o1 286749799 USMPAZLEFVUSOK-UHFFFAOYSA-N 313.335 -0.322 30 20 DBED COCCOc1cc(C(=O)NCCn2cnc(C#N)n2)ccn1 286928548 QLMXUCBBZAARRQ-UHFFFAOYSA-N 316.321 0.000 30 20 DBED C=CCCOCCNC(=O)C(=O)N1CC[C@](C)(C(=O)NC)C1 289340793 FEBMMKLBYXOOFB-HNNXBMFYSA-N 311.382 -0.320 30 20 DBED C=CCN(CCC#N)Cc1nc2c(=O)n(C)c(=O)n(C)c2[nH]1 292060565 BZFNUBBQLQJYPG-UHFFFAOYSA-N 302.338 -0.138 30 20 DBED O=S1(=O)CCCC[C@H]1CN/C(O)=N/CCN1CCOCC1 329262362 BJPVLPREKOZXHN-LBPRGKRZSA-N 319.427 -0.211 30 20 DBED COc1cc(N=C(O)N2CC[C@@]3(C2)N=C(O)N(C)C3=O)ncn1 329439095 KMXBOGYQUVZINZ-ZDUSSCGKSA-N 320.309 -0.139 30 20 DBED O=C([C@@H]1CN2CCCN1CC2)N1CC[C@@H](N/C(O)=N/C2CC2)C1 329445605 CIQVWSOBTLVEOE-KGLIPLIRSA-N 321.425 -0.357 30 20 DBED CCCN(C(=O)Cn1cnc(C#N)n1)[C@@H]1CC(=O)N(C)C1=O 330434630 OGRLUUAOTIJJSF-SECBINFHSA-N 304.310 -0.854 30 20 DBED CCn1ncnc1CNS(=O)(=O)N(CCC#N)CCOC 337161358 UPAWJIHJRWBSPR-UHFFFAOYSA-N 316.387 -0.506 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCC2CCOCC2)C1=O 340392699 GXBONWMLLYEENX-CYBMUJFWSA-N 323.393 -0.226 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)N[C@@H]2CCC(=O)NC2)cc1 355675452 DBUZQUNWJXPVQQ-GFCCVEGCSA-N 300.318 -0.317 30 20 DBED N#CC1(C(=O)N2CCS(=O)(=O)[C@H](C(=O)O)C2)CCCC1 424235865 GFQWCWFSDSFPRE-VIFPVBQESA-N 300.336 -0.219 30 20 DBED C#CCNC(=O)C1CCN(C(=O)N[C@H]2C(=O)NCC[C@@H]2C)CC1 491626905 JGMSIERLQPSYOD-WCQYABFASA-N 320.393 -0.318 30 20 DBED COC(=O)[C@H]1CC[C@@H](C(=O)N2CCN(C(=O)CC#N)CC2)O1 569740802 WEEJYDTWHKDAGZ-WDEREUQCSA-N 309.322 -0.709 30 20 DBED N#Cc1ncn(CCNC(=O)N2CCO[C@@H]([C@H]3CCCO3)C2)n1 588215787 DVDDTWQBQRYBTP-VXGBXAGGSA-N 320.353 -0.261 30 20 DBED N#C[C@H]1CN(C(=O)CNS(=O)(=O)c2ccccc2N)CCO1 597170303 MZHHGCNQSSCUQW-JTQLQIEISA-N 324.362 -0.702 30 20 DBED C[C@H]1CN(C(=O)C(=O)N2CCN(CCC#N)CC2)CC[C@H]1N 601585683 XOPLSKABXFJNOX-QWHCGFSZSA-N 307.398 -0.760 30 20 DBED CN(C)C[C@](C)(C#N)NC(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1 602333711 OQULSPLOPHNMOZ-ABAIWWIYSA-N 318.381 -0.267 30 20 DBED C[C@@H](CC#N)N(C)C(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C 609143005 CEKIPUJPJRYIFD-VIFPVBQESA-N 317.349 -0.050 30 20 DBED C[C@@H](C(=O)NC1(C#N)CCC1)N1CCN(CC(=O)N(C)C)CC1 615774253 PZFQENCLTZQPFP-ZDUSSCGKSA-N 321.425 -0.357 30 20 DBED C=C[C@@H](C(=O)OC)N1CCC(N2CCS(=O)(=O)CC2)CC1 619720709 QBLQVBBABDVNAO-ZDUSSCGKSA-N 316.423 -0.091 30 20 DBED C=CCN1CC[C@@H](N2CCC[C@@H](NS(C)(=O)=O)C2)C1=O 685000021 CAXOYYAAPWJJIX-VXGBXAGGSA-N 301.412 -0.213 30 20 DBED C[C@H](NC(=S)NN=Cc1cn(C)c(=O)n(C)c1=O)C1CC1 751531649 NAQRXJVCUSVXBO-QMMMGPOBSA-N 309.395 -0.320 30 20 DBED C#CCOCCNC(=O)N1CCC(C(=O)NCCCO)CC1 753379955 WIKQJYFHZPAOQZ-UHFFFAOYSA-N 311.382 -0.444 30 20 DBED C#CCOCCNC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 753382064 MGUZCPWGNIPNOZ-AWEZNQCLSA-N 322.409 -0.416 30 20 DBED CS(=O)(=O)CCCC(=O)NS(=O)(=O)CC1(C#N)CCC1 771078071 IOJYPAIZXCMJKQ-UHFFFAOYSA-N 322.408 -0.049 30 20 DBED C#C[C@H](NC(=O)N1CCN(C(C)(C)C(N)=O)CC1)[C@H]1CCCO1 776225608 QFMHKAOVUVJRQR-QWHCGFSZSA-N 322.409 -0.242 30 20 DBED N#Cc1ccc([C@H](OC(=O)CN2CCOCC2)C(N)=O)cc1 778844421 VHDXTUJEMZWKQP-AWEZNQCLSA-N 303.318 -0.040 30 20 DBED Cn1cc(C=NNCCC(=O)OC(C)(C)C)c(=O)n(C)c1=O 783866960 XVJQVIZUGMZUOA-UHFFFAOYSA-N 310.354 -0.261 30 20 DBED C#CCOCCNC(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 784607481 UZNFLCBMZLTETE-OXHZDVMGSA-N 320.345 -0.695 30 20 DBED C#CCNC(=O)COC(=O)[C@@](C)(O)Cn1c(C)cccc1=O 795771185 CQUUQXCMNFGVRM-HNNXBMFYSA-N 306.318 -0.800 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@H](C)C[S@](C)=O)[C@H]1CCCO1 809223814 ULTGZSWMAJJHAS-XFQCAGDASA-N 300.380 -0.833 30 20 DBED C#CCCS(=O)(=O)NC(=O)c1ccc(OCC(N)=O)cc1 810786433 IWZOVTLBBYWINF-UHFFFAOYSA-N 310.331 -0.366 30 20 DBED Cc1nn(C)c(N)c1C=NNc1ccc(S(N)(=O)=O)cn1 814798485 KUMOEZRXVSMWSM-UHFFFAOYSA-N 309.355 -0.201 30 20 DBED CN(C)S(=O)(=O)c1ccc(C(=O)N[C@H]2CNC[C@@H]2C#N)cc1 834511322 KMOCOOAMHDOEIM-AAEUAGOBSA-N 322.390 -0.222 30 20 DBED CON=Cc1ccc(C(=O)NCC(=O)N2CCNCC2)cc1 843316206 KPDRGPTWLNSRLE-UHFFFAOYSA-N 304.350 -0.172 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@H](CC1CC1)C(=O)O 844799161 DQYWHRRNJQMFMP-LLVKDONJSA-N 319.383 -0.064 30 20 DBED C#CC[C@H](CCOC)NC(=O)N1CC[C@@H](S(=O)(=O)NC)C1 859024537 GNBCKQZGAUDUGN-VXGBXAGGSA-N 317.411 -0.252 30 20 DBED C[C@@H]1CN(CCNC(=O)N2CCN(CCC#N)CC2)CCO1 875194407 KDFNDEZEBQUPOA-CQSZACIVSA-N 309.414 -0.052 30 20 DBED C#C[C@H](NC(=O)[C@@]1(OC)CCS(=O)(=O)C1)[C@@H]1CCCO1 890028440 MMVXMRFUIVIFNK-GMXVVIOVSA-N 301.364 -0.513 30 20 DBED N#CCCN1CCN(S(=O)(=O)CC2CCNCC2)CC1 905361029 XVMDTHHEXCYYSJ-UHFFFAOYSA-N 300.428 -0.153 30 20 DBED CCN1CCN(CC(=O)N[C@@H](C#N)C2CCCC2)C(=O)C1=O 921539754 IDOKBAMRLRIEIP-LBPRGKRZSA-N 306.366 -0.124 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N1CC[C@@H](C2OCCO2)C1 921896527 FCGRDZXBOYBNNK-LLVKDONJSA-N 318.395 -0.008 30 20 DBED O=C(NCC#CCO)NC[C@]1(O)CCN(Cc2ccccc2)C1 923779143 LNLAEEMISBTCIM-QGZVFWFLSA-N 317.389 -0.082 30 20 DBED C[C@H](C#N)C(=O)N1CCCN(C(=O)CCc2cnn[nH]2)CC1 942153051 NVHNHRDKWHGOEK-LLVKDONJSA-N 304.354 -0.042 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](NC(=O)c2ccc(C(N)=O)[nH]2)C1 942436004 IJYHIALYRXPDIU-RKDXNWHRSA-N 303.322 -0.396 30 20 DBED Cn1cc(C(=O)NC[C@H]2CN(C(=O)C#CC3CC3)CCO2)cn1 944471250 UHSXJHILKIIAEO-AWEZNQCLSA-N 316.361 -0.209 30 20 DBED C=CC(C)(C)C(=O)N1CCO[C@H](CNC(=O)[C@@H]2CCC(=O)N2)C1 944694716 MUZNIJCOSDECOF-NEPJUHHUSA-N 323.393 -0.179 30 20 DBED C[C@H](C#N)C(=O)N1CCC(NC(=O)C[C@@H]2CCNC2=O)CC1 948095933 CSPLHJGZBOZSHV-MNOVXSKESA-N 306.366 -0.221 30 20 DBED CN(C(=O)CN1CC(=O)NC1=O)[C@@H]1CCCN(CC#N)CC1 948864363 DLGNCTRUCFPKHM-LLVKDONJSA-N 307.354 -0.625 30 20 DBED Cc1nn[nH]c1C(=O)N1CCC2(CC1)CN(CC#N)CCO2 949433190 HVVMARFEJZJPSK-UHFFFAOYSA-N 304.354 -0.056 30 20 DBED N#Cc1ccc(C(=O)NC[C@@H]2CCN2C(=O)[C@H]2COC(=O)N2)[nH]1 949452081 FVCBJLUVVQIPQY-GXSJLCMTSA-N 317.305 -0.675 30 20 DBED C#CCN1CC(N(CC)C(=O)c2coc(S(N)(=O)=O)c2)C1 950649221 IQZJXTUUQUOFDO-UHFFFAOYSA-N 311.363 -0.294 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H](NC(=O)C(N)=O)C1 950985236 OVBNHKRMOJHQEF-TUAOUCFPSA-N 309.366 -0.440 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2CCN2C(=O)c2ncn(C)n2)nc1 951378017 LVBRKEBIRACSSQ-LBPRGKRZSA-N 324.344 -0.164 30 20 DBED C#CCCN1C[C@H](O)[C@H](CNC(=O)c2nccn3ccnc23)C1 958418892 XAIAHRSDXMULJH-OLZOCXBDSA-N 313.361 -0.225 30 20 DBED C=C(C)CN1C[C@@H]2C(NC(=O)[C@@H]3Cc4cncn4C(=O)N3)[C@H]2C1 961311161 HZOVTYPKTZKNHF-AVGNSLFASA-N 315.377 -0.012 30 20 DBED C#Cc1cncc(C(=O)N[C@H]2[C@@H]3CN([C@H]4CCNC4=O)C[C@@H]32)c1 961709956 DERXADXTMAGIBN-LJISPDSOSA-N 310.357 -0.389 30 20 DBED C=C(Cl)CN1C[C@@H]2C(NC(=O)c3cn(CC(N)=O)nn3)[C@H]2C1 962783602 WMIRFXANWQKGBV-IUCAKERBSA-N 324.772 -0.824 30 20 DBED Cc1nn[nH]c1C(=O)NC[C@H]1COCCN1C(=O)[C@H](C)C#N 964284247 BGYDQBFWVYTURU-SCZZXKLOSA-N 306.326 -0.770 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(C[C@@H](NC(=O)c3cnn(C)c3)CO2)C1 965620371 XAHMSYMESXAPOT-CMPLNLGQSA-N 317.349 -0.321 30 20 DBED C[C@H]1CCN(CC#N)C[C@@H]1NC(=O)CN1CCC(=O)NC1=O 968514773 XUYJGBMSISEVLN-QWRGUYRKSA-N 307.354 -0.722 30 20 DBED CCc1nnsc1C(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1O 968594082 QMIQFRRDALHLIR-SFGNSQDASA-N 323.378 -0.438 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)C23CCCN2CCC3)C1 969022395 GENTUEJJAVUFNC-XQQFMLRXSA-N 320.393 -0.538 30 20 DBED C=C(C)CN[C@@H]1CCN(C(=O)C2CC3(C2)NC(=O)NC3=O)C1 970245071 YQJKOVAKBMTJJR-LOIXOFCESA-N 306.366 -0.259 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]2CCN(C(=O)Cn3ncnn3)C[C@@H]21 975727112 VPGHASFKMCTOMQ-WOPDTQHZSA-N 317.353 -0.718 30 20 DBED O=C1NCCC[C@H]1C(=O)N[C@H]1[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]21 976675724 SAEJWNHGHZTRLI-CXTNEJHOSA-N 315.373 -0.501 30 20 DBED CC#CCN1C[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C(C)(C)C1 977622682 RKZNNAUNBUXPTQ-GFCCVEGCSA-N 318.381 -0.773 30 20 DBED C#CCN1C[C@@]2(C)CN(C(=O)C3CS(=O)(=O)C3)C[C@@]2(C)C1 982288818 HXWRSEDYOOGDNG-GASCZTMLSA-N 310.419 -0.165 30 20 DBED N#CCN1CC[C@]2(NC(=O)Cn3ccc(O)nc3=O)CCC[C@@H]12 991660424 YUHRRBQSBQMZST-IAQYHMDHSA-N 317.349 -0.414 30 20 DBED C=C1CC(C)(C(=O)N2CC(NC(=O)C[C@@H]3NC(=O)NC3=O)C2)C1 994743053 GMGMLBDJXPEGKX-JTQLQIEISA-N 320.349 -0.732 30 20 DBED C#Cc1cncc(C(=O)NC2CN(C(=O)c3cn(C)nn3)C2)c1 999305075 VYRKXHPKQVOHDP-UHFFFAOYSA-N 310.317 -0.554 30 20 DBED CC(=O)N1CCO[C@H](C(=O)NCC2CCN(CC#N)CC2)C1 1002097110 URYLPEUCJRCLNX-AWEZNQCLSA-N 308.382 -0.415 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)C[C@@H]1CCCN1C(=O)C(N)=O 1002920889 UEZBXCQHBWHVQC-STQMWFEESA-N 320.393 -0.981 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCC1CN(C(=O)[C@@H]2COC(=O)N2)C1 1004522075 UUJZOOIMBIRGGO-WOPDTQHZSA-N 323.349 -0.740 30 20 DBED N#Cc1c[nH]c(C(=O)N2C[C@@H]3CCC[C@]3(NC(=O)C(N)=O)C2)c1 1008190522 CIKLMGXVGOPZCB-BONVTDFDSA-N 315.333 -0.517 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](NC(=O)c2nnn(C)n2)C(C)(C)C1 1008447707 HEABAMAJHOLVEK-RKDXNWHRSA-N 305.342 -0.663 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C(=O)[C@@H]2CCCCC(=O)N2)CC1 1012330945 OQZJUVAIYDGABS-NEPJUHHUSA-N 306.366 -0.124 30 20 DBED N#Cc1cc(C(=O)N2CC[C@]3(NC(=O)C(N)=O)CCC[C@H]23)c[nH]1 1014445368 LYDZSNBGYKQHJJ-XHDPSFHLSA-N 315.333 -0.375 30 20 DBED C=CCN1CC[C@H](N2CC[C@H](NC(=O)c3cnn(C)n3)C2)C1=O 1015842682 POHGZQSCMKFCGN-AAEUAGOBSA-N 318.381 -0.594 30 20 DBED C=CCN1C[C@@H]2CC[C@H](C1)N2C(=O)c1cn(C)c(=O)nc1O 1018263946 QXYWQVPOWSMARC-PHIMTYICSA-N 304.350 -0.039 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCN(C(=O)[C@H]3CN(C)C(=O)N3)C2)C1 1019365015 RSPJXZSSEGEDAH-GHMZBOCLSA-N 319.365 -0.769 30 20 DBED C#CCN1[C@H]2CC[C@H]1CC(NC(=O)Cn1nc(C)n(C)c1=O)C2 1021447807 CKCRKWDJMLVTQX-KBPBESRZSA-N 317.393 -0.365 30 20 DBED Cc1noc(C)c1CC(=O)N[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1O 1023678727 BTCHHMHXORNZGJ-BZHVJNSISA-N 320.349 -0.318 30 20 DBED CC(=O)N1CCOC[C@@H]1C(=O)NC[C@H]1CCCN(CC#N)C1 1023757522 IRZRYLXALRFJFO-ZIAGYGMSSA-N 308.382 -0.415 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C2(C)CC2)C1 1024091200 AIODUWTVVSCQGG-HZSPNIEDSA-N 319.405 -0.428 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C(C)C)C[C@H]1O 1024356575 BMUSYXDNMPCKNQ-HZSPNIEDSA-N 307.394 -0.572 30 20 DBED C=CCN[C@@H]1CC[C@H]2CN(C(=O)Cn3cnc(C(N)=O)n3)C[C@H]21 1026268493 BJRXZSCISDRSQG-QJPTWQEYSA-N 318.381 -0.610 30 20 DBED N#CCNC1CCC(NC(=O)CN2CCC(=O)NC2=O)CC1 1026588741 VWQOFMNENJZCGM-UHFFFAOYSA-N 307.354 -0.531 30 20 DBED CN(CC#N)[C@@H]1CCCN(C(=O)[C@@H]2CCN(C)S2(=O)=O)C1 1027612686 OCEVZRCSUQIAQR-NEPJUHHUSA-N 314.411 -0.533 30 20 DBED N#CCN1CC[C@@H](CNC(=O)c2cn(C[C@H]3CCOC3)nn2)C1 1028900081 UJCXGCMSVQEHHM-QWHCGFSZSA-N 318.381 -0.110 30 20 DBED C=CCN1CC[C@H](N(C)CC2CCN(C(=O)C(N)=O)CC2)C1=O 1029991021 YNOUNBMAWLNIPS-ZDUSSCGKSA-N 322.409 -0.571 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN(Cc2cnn(CC)n2)C1 1030462182 KMFXIVBELJYUBU-HNNXBMFYSA-N 316.409 -0.304 30 20 DBED C=CCN1CC[C@H](N2CC(CNC(=O)c3cnn(C)n3)C2)C1=O 1032050879 JKWCNFVMBRAYNG-ZDUSSCGKSA-N 318.381 -0.736 30 20 DBED C=CCCN1CC[C@@H](N(C)C(=O)[C@@H]2CCS(=O)(=O)N2)C1 1033676829 ZJOCDNWRSXTZKT-NEPJUHHUSA-N 301.412 -0.213 30 20 DBED CC#CCN1CCCC[C@H](NC(=O)CN2CCNC(=O)C2)C1 1034346969 VJSRGFZFNPDSDE-AWEZNQCLSA-N 306.410 -0.588 30 20 DBED Cc1nn2cccnc2c1C(=O)NC[C@@H]1CN(CC#N)CCO1 1035612087 ZNGIETFMCAHZJL-GFCCVEGCSA-N 314.349 -0.008 30 20 DBED C#CCN1CC[C@H]2CN(C(=O)c3cnc(O)n(C)c3=O)CC[C@H]21 1036789953 ACCLNXXKMJDZPP-WCQYABFASA-N 316.361 -0.345 30 20 DBED C=C(C)CN1C[C@H]2C[C@H]1[C@@H]2NC(=O)CN1C(=O)C(=O)N(C)C1=O 1037598664 DOLRIVINVLCKCV-JFGNBEQYSA-N 320.349 -0.828 30 20 DBED C=C(C)CN1C[C@H]2C[C@H]1[C@H]2NC(=O)CN1CC(=O)N(C)C1=O 1037674321 JIEGYOGBEPGEJY-SUNKGSAMSA-N 306.366 -0.355 30 20 DBED C[C@H]1CCN(C(=O)C(N)=O)C[C@H]1CNc1nccnc1C#N 1039886899 AEMJVSKAKIPZEK-VHSXEESVSA-N 302.338 -0.270 30 20 DBED COCC(=O)N1CC[C@@H]2OCCN(c3ccc(C#N)nn3)[C@@H]2C1 1039990854 ZGBGIHVUTHHBNT-OLZOCXBDSA-N 317.349 -0.199 30 20 DBED N#Cc1nccnc1N1C[C@@H](O)[C@H](NC(=O)Cc2ccoc2)C1 1040998083 SERGKYCGRLWKIQ-CHWSQXEVSA-N 313.317 -0.150 30 20 DBED C=CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)[C@H]2CCCO2)C1 1041359379 OCEJPSGPZHFXEH-VXGBXAGGSA-N 312.366 -0.554 30 20 DBED C=CCN1CC[C@H](N2CC[C@@]3(CCN(C(=O)C(N)=O)C3)C2)C1=O 1041621630 DTNPFQJHHLDTLZ-BLLLJJGKSA-N 320.393 -0.817 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)c2cnoc2CC)C1 1042052149 CYSKBFFSRPDFNA-UHFFFAOYSA-N 323.349 -0.257 30 20 DBED C=C(C)CN1CC[C@@H]2CCN(C(=O)CN3CCNC(=O)C3)C[C@@H]21 1042182200 DCQUTGFMSFFZHB-CABCVRRESA-N 320.437 -0.083 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(O)(CNC(=O)c2cncnc2)C1 1042710327 SSBPFDVYKOEHDA-AWEZNQCLSA-N 320.349 -0.893 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)[C@@]2(C)CCOC2)C1 1043032883 LFMKWBRKEPNRAS-HNNXBMFYSA-N 324.377 -0.858 30 20 DBED Cc1c[nH]cc1C(=O)NCC1(O)CN(C(=O)CSCC#N)C1 1043111352 JLONBBMINMGBGN-UHFFFAOYSA-N 322.390 -0.117 30 20 DBED N#Cc1cnccc1N1C[C@H](O)[C@H](NC(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1044386059 LUQLRAAFCIFEQQ-MIBAYGRRSA-N 314.345 -0.489 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)C(C)(C)C=C)C1 1044475618 WHXOFDXENARCQB-LBPRGKRZSA-N 308.378 -0.074 30 20 DBED Cn1nnnc1CNC[C@@H]1CCCN1C(=O)c1cc(C#N)c[nH]1 1044983299 INNDSKWUDHQXIF-NSHDSACASA-N 314.353 -0.196 30 20 DBED C=CCCCC(=O)NCC1(O)CN(C(=O)Cn2nccn2)C1 1045454945 HYIBFFFLIRJCBM-UHFFFAOYSA-N 307.354 -0.676 30 20 DBED Cc1nc(C(=O)N2CC(O)(CNC(=O)[C@H](C)C#N)C2)c(C)o1 1045546448 MHGQXXLASZIWGL-MRVPVSSYSA-N 306.322 -0.246 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)c2cc3c([nH]2)CCC3)C1 1045547263 YLXMROFMINNGLI-SNVBAGLBSA-N 316.361 -0.034 30 20 DBED Cc1cc(O)ncc1C(=O)N1CC(O)(CNC(=O)[C@H](C)C#N)C1 1045551836 MZAGJEBQYVTWIB-SNVBAGLBSA-N 318.333 -0.442 30 20 DBED N#CCN1CC[C@H](N2CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)C1 1046078889 RDHFDNYDEQLSJE-STQMWFEESA-N 305.382 -0.993 30 20 DBED C#CCN1CC[C@@](C)(NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 1046318433 CTCXSHZSXVVMDK-MLGOLLRUSA-N 315.377 -0.024 30 20 DBED N#CCN1CCC(F)(F)[C@H](CNC(=O)[C@@H]2COC(=O)N2)C1 1046935429 NNFSOJFEZNDDSU-BDAKNGLRSA-N 302.281 -0.308 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cccnc2N(C)C)C1 1047626195 VMLUSUGNSZNKSR-KBPBESRZSA-N 302.378 -0.102 30 20 DBED C=CCCOCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2ccon2)C1 1048377582 GMFWLVQYQKVTGI-STQMWFEESA-N 323.349 -0.089 30 20 DBED C=C(C)C[C@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CC(N)=O)C1 1048613633 YNPSTFAUTKLLQA-SRVKXCTJSA-N 311.382 -0.506 30 20 DBED C#CCCCC(=O)N(C)[C@H]1CN(C(=O)Cn2nccn2)C[C@@H]1O 1048757357 AWPZWUSNKMFXFQ-STQMWFEESA-N 319.365 -0.888 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCCN(C)C)C1 1049345163 RHTKQYLVRRAMKP-AGIUHOORSA-N 310.398 -0.482 30 20 DBED Cc1cc(CC(=O)N2C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)C#N)C2)no1 1049387839 AWNVILOJDDGQOK-XDTLVQLUSA-N 320.349 -0.285 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2ccnnc2)C1 1049632443 ZIAHTUFROSEUAP-KBPBESRZSA-N 316.361 -0.076 30 20 DBED C=CCN1CCOC[C@@H]1CNC(=O)[C@H]1CCCN(C(N)=O)C1 1051017564 SGMFQRWCJBVUGE-STQMWFEESA-N 310.398 -0.220 30 20 DBED C#CCOCCC(=O)N1C[C@@H](C)[C@H](CNC(=O)c2cnn[nH]2)C1 1052591821 DRWIFFAPDTUZDE-VXGBXAGGSA-N 319.365 -0.331 30 20 DBED C#CCN1CC2(C1)CN(C(=O)c1cnc(C)nc1OC)CCO2 1053281767 WBSLNDDUKNOUFC-UHFFFAOYSA-N 316.361 -0.046 30 20 DBED Cc1ncnc(O)c1C(=O)N1CCOC2(CN(CC#N)C2)C1 1053391723 WZTBQLRQUAQIMU-UHFFFAOYSA-N 303.322 -0.459 30 20 DBED N#Cc1cnccc1N1CCN(C(=O)[C@H]2COC(=O)N2)CC1 1055785463 INVMCUNCZJBYRL-LLVKDONJSA-N 301.306 -0.290 30 20 DBED C=CCOCC(=O)N[C@@]1(CO)CCCN(C(=O)CCOC)C1 1055830932 GUOJRIJJJLQYTC-HNNXBMFYSA-N 314.382 -0.305 30 20 DBED N#Cc1ccc(N2CCN(C(=O)C[C@H]3CCNC3=O)CC2)nn1 1055924910 XUGSVSRAEAVFOY-LLVKDONJSA-N 314.349 -0.477 30 20 DBED Cc1cc(C(=O)N(CCO)CCNC(=O)[C@H](C)C#N)cnn1 1057433348 MXNHUYOOLLLLAT-SNVBAGLBSA-N 305.338 -0.505 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)C[C@@H](C)n1ccnc1 1057609372 GTQIFRSLJXORRE-QWHCGFSZSA-N 321.381 -0.069 30 20 DBED N#Cc1nccc(N2CC[C@H](NC(=O)C[C@H]3CCC(=O)N3)C2)n1 1058396101 FCMRBRXKQYPYSD-MNOVXSKESA-N 314.349 -0.288 30 20 DBED C=C[C@H](C)[C@H](C)C(=O)N(CCO)CCNC(=O)Cn1cnnn1 1058433113 JMYMQDHWZIVNJZ-RYUDHWBXSA-N 324.385 -0.932 30 20 DBED COc1cnc(C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N)nc1 1058655197 SUPOGPFVJFOWNN-JTQLQIEISA-N 321.337 -0.804 30 20 DBED N#Cc1nccnc1NC[C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 1060972707 QQEHELNNHYAYIX-GXSJLCMTSA-N 315.337 -0.710 30 20 DBED CSCC(=O)N1CCOC[C@@H]1CNC(=O)CSCC#N 1061317316 FDVLTYLSCOINGT-JTQLQIEISA-N 317.436 -0.050 30 20 DBED N#Cc1nccnc1N1CCC[C@H]1CNC(=O)[C@@H]1COC(=O)N1 1061353277 GGZBABSFFQNALY-ONGXEEELSA-N 316.321 -0.458 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)Cc1ccon1 1061845887 LVRLWCHZNRSFFN-JQWIXIFHSA-N 306.322 -0.280 30 20 DBED C[C@@H]1CCCN(C(=O)C(N)=O)[C@@H]1CN=c1cc[nH]cc1C#N 1063955267 ARKBKFAQVCCTHK-ZWNOBZJWSA-N 301.350 -0.101 30 20 DBED C[C@@H](Nc1ccc(C#N)nn1)[C@@H]1CCN(C(=O)CC(N)=O)C1 1065683599 CKKYSWMASLUHFW-NXEZZACHSA-N 302.338 -0.127 30 20 DBED NC(=O)NCCC(=O)N1CCC[C@@H](NC(=O)C#CC2CC2)CC1 1066157847 VRSCCJNLHUNSSU-CYBMUJFWSA-N 320.393 -0.045 30 20 DBED CC[C@@H](OC)C(=O)N1CCO[C@H](CN=c2cc[nH]c(C#N)n2)C1 1066602516 PLTSKDCDZQPXBY-VXGBXAGGSA-N 319.365 -0.166 30 20 DBED C=CCOCC(=O)N1CC2(C[C@H](NC(=O)[C@@H]3CCCO3)CO2)C1 1068679843 RJSMOGVWSCSMLK-STQMWFEESA-N 324.377 -0.146 30 20 DBED C=CCOCC(=O)N[C@H]1COC2(C1)CN(C(=O)COCC=C)C2 1068763839 CYXJFUMJIOQQIC-CYBMUJFWSA-N 324.377 -0.122 30 20 DBED C=CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)Cn2nccn2)C1 1069938911 NOYIRSNWTCZNTI-OLZOCXBDSA-N 316.369 -0.513 30 20 DBED C=CCN[C@@H]1CN(C(=O)CN2CCCC2)C[C@@H]1n1ccnn1 1070328331 XIVUDSRLEDVWAA-KGLIPLIRSA-N 304.398 -0.099 30 20 DBED C[C@@H](C(=O)N1CCC(=O)NCCN(CC#N)CC1)[C@H]1CCCO1 1070996532 WTTUVMDFJNUDNM-ZIAGYGMSSA-N 322.409 -0.024 30 20 DBED C=CCCC(=O)N[C@@H]1CN(C(=O)Cn2c(O)nnc2O)C[C@H]1C 1072484123 MWNVBJNGDABKNT-NXEZZACHSA-N 323.353 -0.381 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@@H]1C 1072543080 GYQKYDYQBSINPS-WDEREUQCSA-N 304.354 -0.554 30 20 DBED C=C(C)CN1CCC2(C1)CN(C(=O)Cn1c(O)nnc1O)C2 1073152489 HDYCOQWDEGDIDG-UHFFFAOYSA-N 307.354 -0.200 30 20 DBED C[C@H](C(N)=O)N1CCCO[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1 1073574446 SAIVAOYFYWINDF-ZYHUDNBSSA-N 319.365 -0.419 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)c1cc(C)no1 1075584659 VLOFDHINDIPQIU-JTQLQIEISA-N 320.349 -0.253 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H](C)CCNC(=O)c1cnnn1C 1076341831 JTOZTZAUJQNHTO-QWRGUYRKSA-N 307.354 -0.522 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCn3cncc3C2)C1 1077251747 NHUFBTPBFLCSAC-NWANDNLSSA-N 302.378 -0.370 30 20 DBED CN(C)C(=O)C1CCC(C(=O)N[C@@H]2CN(CC#N)C[C@H]2O)CC1 1077992276 SDSMUQVBABQGJG-NWINJMCUSA-N 322.409 -0.434 30 20 DBED C#CCN[C@H]1C[C@H]2CC[C@H]1N(C(=O)c1cn(C)c(=O)n1C)C2 1079113498 CRHMTHRSRZMMHR-FRRDWIJNSA-N 302.378 -0.060 30 20 DBED C=CCC(C)(C)C(=O)N1C[C@@H](O)[C@H](CNC(=O)CC(N)=O)C1 1081372013 VYRQTGPSMMPWQV-GHMZBOCLSA-N 311.382 -0.600 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)Cc2nonc2C)C1 1081725544 WVZLBDYGPFQFHK-DGCLKSJQSA-N 322.365 -0.178 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCc3nnc(O)n3C2)C1 1083581505 YPHCCRVYHDACMR-UTUOFQBUSA-N 321.381 -0.717 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)[C@]2(C)CCN(C(C)=O)C2)C1 1083928932 HFQPBFQMXIKLMX-IJEWVQPXSA-N 309.410 -0.018 30 20 DBED C#CCOc1ncccc1C(=O)N(C)C[C@@H]1CCN1CC(N)=O 1085931663 FFLVULABDVFCQU-LBPRGKRZSA-N 316.361 -0.275 30 20 DBED N#CCN1C[C@H]2CC[C@H]1[C@@H]1CN(C(=O)CCn3cnnn3)C[C@H]21 1087399864 YLAXTCOZTAOBSF-SYQHCUMBSA-N 315.381 -0.244 30 20 DBED C=CCN1CC[C@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)[C@H]1CC 1087748665 UXZQHFGYJVQCAJ-WDEREUQCSA-N 322.365 -0.438 30 20 DBED C=CCN1CC[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)[C@H]1C 1088896133 PZEGWXZPBYVRIP-PWSUYJOCSA-N 306.366 -0.537 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)c1nnn(C)n1)Nc1cnc(C#N)cn1 1089449549 IMMQMDFBNZFRPG-DTWKUNHWSA-N 315.341 -0.119 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2cn(CCOC)nn2)[C@@H](O)C1 1090259653 VYQMEJSWXQDXIV-JSGCOSHPSA-N 321.381 -0.887 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2ccn(C)c(=O)c2)[C@H](O)C1 1090368942 UAQDHFLCGFVONR-UONOGXRCSA-N 303.362 -0.426 30 20 DBED CO[C@@H](C)CCC(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1091096171 JOPFBQJZORAAMX-UHTWSYAYSA-N 319.365 -0.171 30 20 DBED C=C(Cl)CN1CC2(C[C@@H](NC(=O)C(N)=O)c3nccn32)C1 1092390687 DACLQDVGXBCINF-SECBINFHSA-N 309.757 -0.307 30 20 DBED C#CCN1C[C@@H](C)[C@H](CNC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 1092848686 NRBRXVZVHWSBJM-BZPMIXESSA-N 315.377 -0.317 30 20 DBED C=CCN1C[C@@H](C)[C@H](CNC(=O)c2cnc(O)n(C)c2=O)C1 1092878814 DCNQEBNCPHQZMU-GHMZBOCLSA-N 306.366 -0.030 30 20 DBED C=CCN1CC[C@H](NCC[C@@H]2CN(C(=O)C(N)=O)C[C@H]2C)C1=O 1093286230 YOWOWCUOMWQQJO-UPJWGTAASA-N 322.409 -0.667 30 20 DBED Cc1c(CCC(=O)NCCN=c2cc[nH]c(C#N)n2)cnn1C 1093906220 BGQVKYFGHSKQEV-UHFFFAOYSA-N 313.365 -0.027 30 20 DBED CCS(=O)(=O)CC(=O)NCCCNc1cncc(C#N)n1 1094455846 LLPRZAITFLSVMG-UHFFFAOYSA-N 311.367 -0.299 30 20 DBED N#CCN1CC(N2C[C@H](NC(=O)c3ccc(O)nc3)CC2=O)C1 1094813371 HGYRRUUARNFJKW-LLVKDONJSA-N 315.333 -0.674 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)c3[nH]cnc3C)CC2=O)C1 1094820284 GULHAPSWNDWOLW-NSHDSACASA-N 301.350 -0.634 30 20 DBED CN(CCCNC(=O)[C@H]1CCC(=O)N1)c1ccnc(C#N)n1 1095493644 IBZHVOFVYMXWHO-SNVBAGLBSA-N 302.338 -0.431 30 20 DBED C=CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cn1ccc(=O)n(C)c1=O 1095497548 IBVPQUICDFBODO-AGIUHOORSA-N 318.377 -0.546 30 20 DBED CN(CCCNC(=O)[C@H]1CCCC(=O)N1)c1ccc(C#N)nn1 1095661175 KUMNXKDXRIFRLV-GFCCVEGCSA-N 316.365 -0.041 30 20 DBED CCN(CCCNC(=O)CNC(N)=O)c1ncccc1C#N 1095834485 XGURIRIWZXXLMB-UHFFFAOYSA-N 304.354 -0.046 30 20 DBED N#Cc1ccc(N2CCC[C@H](NC(=O)CNC(N)=O)C2)nc1 1096138463 VLVFZWYBGKKYPI-NSHDSACASA-N 302.338 -0.293 30 20 DBED N#Cc1ccc(N2CCC[C@H](NC(=O)C3(C(N)=O)CC3)C2)nn1 1096228056 GSZNYPOSTWCILJ-NSHDSACASA-N 314.349 -0.301 30 20 DBED CC(=O)N(C)CC(=O)N[C@H]1CCN(c2ccnc(C#N)n2)C1 1096329739 XOQBWCFXTVURMW-NSHDSACASA-N 302.338 -0.479 30 20 DBED N#Cc1nccnc1N1CC[C@H](NC(=O)CCn2cnnn2)C1 1096416012 USGAQVSIFGOWLJ-JTQLQIEISA-N 313.325 -0.880 30 20 DBED Cc1cc(C#N)nc(N2CC[C@H](NC(=O)[C@H](C)CC(N)=O)C2)n1 1096459238 ZXXPKTKEYKIXDY-KOLCDFICSA-N 316.365 -0.137 30 20 DBED Cc1ccc(C#N)c(N[C@@H](C)CNC(=O)Cn2cnnn2)n1 1097696601 ONOGIOHZEDXUHU-JTQLQIEISA-N 300.326 -0.135 30 20 DBED C[C@H](CNC(=O)[C@@H]1CCC(=O)N1C)Nc1cncc(C#N)n1 1098200483 XRJAEIITBIMUQU-KOLCDFICSA-N 302.338 -0.114 30 20 DBED C[C@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)Nc1ccc(C#N)nn1 1098213265 FBEBXOARTWEAAI-SCZZXKLOSA-N 303.326 -0.712 30 20 DBED COCC(=O)N(C)CC(=O)NC[C@H](C)Nc1ncccc1C#N 1098329895 REAOAHYHQOLFHY-NSHDSACASA-N 319.365 -0.025 30 20 DBED C[C@H](CNC(=O)c1cc(=O)n(C)cn1)Nc1cnc(C#N)cn1 1098363543 YTTSQZCGFHGHLN-SECBINFHSA-N 313.321 -0.328 30 20 DBED C[C@@H](CNC(=O)[C@H](C)S(C)(=O)=O)Nc1ccc(C#N)nn1 1098392605 HGPYCSFTXCSLGW-IUCAKERBSA-N 311.367 -0.302 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)c2ccnn2C)[C@@H](O)C1 1099712033 JOQYSOKHBXTTKF-OCCSQVGLSA-N 308.382 -0.212 30 20 DBED C#CCN1CC[C@@H](NC(=O)CCCNC(=O)C2CC2)[C@H](O)C1 1099864756 UOCOJFOZIGPUDW-ZIAGYGMSSA-N 307.394 -0.523 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2ccsn2)[C@@H](O)C1 1099887265 BOTYCEXLWWVTOD-YPMHNXCESA-N 309.391 -0.042 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)Cn2nccc2C)[C@@H](O)C1 1100022581 OGFBTMXKMQPJIZ-CABCVRRESA-N 320.393 -0.607 30 20 DBED C=CCN1CC[C@@H](NC(=O)CS(=O)(=O)C(C)(C)C)[C@@H](O)C1 1100077213 YYSIJPHQDMVXEQ-NEPJUHHUSA-N 318.439 -0.063 30 20 DBED C#CCCN1CC[C@H](NC(=O)C(=O)Nc2cc(C)on2)[C@H](O)C1 1100110473 WGUWIRAFELRECL-NWDGAFQWSA-N 320.349 -0.504 30 20 DBED C=CCCN1CC[C@@H](NC(=O)CCc2cn(C)nn2)[C@H](O)C1 1100147021 BDKYUWDAPOTGKN-ZIAGYGMSSA-N 307.398 -0.125 30 20 DBED CN(CCNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc(C#N)nn1 1100227126 HEEGMIGHJMLJTO-SNVBAGLBSA-N 323.378 -0.665 30 20 DBED COCC#CCNC1CC(CNC(=O)[C@@H]2CCNC(=O)C2)C1 1100241475 VDKZDXMWSBBGGR-ROKHWSDSSA-N 307.394 -0.353 30 20 DBED CN(CCNC(=O)[C@@H]1CCNC1=O)c1ncc(C#N)cc1F 1100270115 FZMMGIIBZWQHTI-SNVBAGLBSA-N 305.313 -0.219 30 20 DBED C[C@@H]1OCCO[C@@H]1C(=O)NCCN(C)c1ccnc(C#N)n1 1100389724 BGMNNSMVPFJWKY-GWCFXTLKSA-N 305.338 -0.295 30 20 DBED Cc1cc(=NCCN(C)C(=O)CS(C)(=O)=O)c(C#N)c[nH]1 1101523520 AQQMHDIZCIUHOA-UHFFFAOYSA-N 310.379 -0.402 30 20 DBED CN1CCO[C@@H](C(=O)N(C)CCNc2nccnc2C#N)C1 1101538045 GPBLTNSMJPTYIB-GFCCVEGCSA-N 304.354 -0.451 30 20 DBED CN(CCNc1ccc(C#N)nc1)C(=O)[C@@H]1CCS(=O)(=O)N1 1101626496 KMYMOZVFVDMIDU-LBPRGKRZSA-N 323.378 -0.485 30 20 DBED N#Cc1nccc(N2CCC(CCNC(=O)C(N)=O)CC2)n1 1103699749 WXCZKXGLYXVHTJ-UHFFFAOYSA-N 302.338 -0.444 30 20 DBED C[C@@H](CNC(=O)[C@H]1COC(=O)N1)CNc1nccnc1C#N 1103944886 FZHCFXRMKJEOTM-PSASIEDQSA-N 304.310 -0.379 30 20 DBED C[C@@H](CN=c1cc[nH]cc1C#N)CNC(=O)[C@H]1COC(=O)N1 1103944984 IAEWZORLIATIJG-JOYOIKCWSA-N 303.322 -0.352 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(c2cncc(C#N)n2)CCO1 1104297960 INHUZRZFPOMNOQ-CYBMUJFWSA-N 317.349 -0.128 30 20 DBED Cc1cc(=N[C@H](CNC(=O)CNC(N)=O)C(C)C)c(C#N)c[nH]1 1105105638 ALJFOAYJDBAIJR-CYBMUJFWSA-N 318.381 -0.095 30 20 DBED CC(C)[C@H](CNC(=O)[C@H](C)NC(N)=O)Nc1cnc(C#N)cn1 1105178122 PLBFJIRTAOVMLB-ONGXEEELSA-N 319.369 -0.042 30 20 DBED C=CCOCC(=O)N1CC(n2cc(CNCCOC)nn2)C1 1105191712 BJBNDKHCAWDWBW-UHFFFAOYSA-N 309.370 -0.400 30 20 DBED C=CCNCc1cn(C2CN(C(=O)c3cnn(C)n3)C2)nn1 1105340822 RBDFBIZKBTWXEO-UHFFFAOYSA-N 302.342 -0.621 30 20 DBED C#CCN1CC(OC2CCN(C(=O)[C@@H](COC)OC)CC2)C1 1105724191 RCTVOYDXUQUUOF-OAHLLOKOSA-N 310.394 -0.027 30 20 DBED CCCC(=O)NCC(=O)NC[C@@H](O)CNc1ccc(C#N)cn1 1105726342 BARBTAFVVUZYMW-LBPRGKRZSA-N 319.365 -0.241 30 20 DBED CC(C)C#CC(=O)NC[C@@H](O)CNc1ccc2nnnn2n1 1105811406 AQUBPPUZCMWFSI-JTQLQIEISA-N 303.326 -0.932 30 20 DBED Cc1cc(CC(=O)NC[C@H](O)CN=c2cc[nH]cc2C#N)n[nH]1 1105816658 IXHYSUGFHXMOBM-CYBMUJFWSA-N 314.349 -0.462 30 20 DBED COC[C@H](O)CNC[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C 1105846482 XNQMJLKMXMWOLL-JHJVBQTASA-N 315.439 -0.065 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)CCCCC(N)=O)cn1 1105957554 HWZBBVWMNLHZTR-CYBMUJFWSA-N 319.365 -0.112 30 20 DBED C[C@@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)[C@@H]1CCNC1=O 1106516655 VQTGBCGLSVAEIK-VHSXEESVSA-N 302.338 -0.787 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)[C@@]2(C)CCNC(=O)C2)C1 1108024538 MIMXBGGMYPWOBS-HOTGVXAUSA-N 307.394 -0.257 30 20 DBED CCCS(=O)(=O)CC(=O)NC[C@@]1(C)CN(CC#N)CCO1 1108404521 CKDMJCAULSUUQQ-ZDUSSCGKSA-N 317.411 -0.458 30 20 DBED CN(C)CCCC(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1 1108566019 CLIWQRFAGGGUBN-LBPRGKRZSA-N 307.398 -0.747 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H](C)CN(C)c1nccn2nnnc12 1109102168 MYHYGKCLXXISKF-MNOVXSKESA-N 317.353 -0.502 30 20 DBED N#Cc1ccc(NC2(CNC(=O)[C@@H]3COCCO3)CC2)nn1 1110058275 CISFETBMFIQVGA-NSHDSACASA-N 303.322 -0.176 30 20 DBED N#Cc1ccc(NC2(CNC(=O)[C@H]3CCC(=O)N3)CC2)nn1 1110081850 FOWFJXTVGVGERT-SNVBAGLBSA-N 300.322 -0.312 30 20 DBED N#Cc1cncc(NC2(CNC(=O)[C@H]3CC[C@@H]3C(N)=O)CC2)n1 1110300070 ODSAAZFFERNUMB-QWRGUYRKSA-N 314.349 -0.080 30 20 DBED C#CCNC(=O)CC(=O)N(CCO)CCNc1ccc(C)nn1 1111454493 FBRNTXMKXHHWNX-UHFFFAOYSA-N 319.365 -0.843 30 20 DBED COCC#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2COC(=O)N2)C1 1111730612 UPKURXJTWSSWJX-XEZPLFJOSA-N 321.377 -0.285 30 20 DBED N#Cc1cncc(NC2(CNC(=O)[C@@H]3CNC(=O)N3)CCC2)n1 1111890747 NHNBYMLNWVCNFG-JTQLQIEISA-N 315.337 -0.520 30 20 DBED CNC(=O)NCC(=O)N1C[C@@H](C)[C@@H](Nc2ccc(C#N)nn2)C1 1112341096 YYQWQULLCABLBQ-KOLCDFICSA-N 317.353 -0.464 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CCN(c2ccnc(C#N)n2)C[C@@H]1C 1112401155 XKWBHKWTZNUVAL-WDEREUQCSA-N 316.365 -0.185 30 20 DBED CCCN1CCC[C@H]1C(=O)N1CCN(CC(=O)NCC#N)CC1 1112920809 LFWOPGVTVWVRQP-AWEZNQCLSA-N 321.425 -0.355 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)[C@H](C)CCOC)CC1 1113653058 RIQIFLBEVISCDY-ZIAGYGMSSA-N 309.410 -0.059 30 20 DBED Cc1nsc(N(C)[C@@H](C)CNC(=O)[C@@H]2CNC(=O)N2)c1C#N 1113869512 NYPWXNODGBEYRD-XVKPBYJWSA-N 322.394 -0.055 30 20 DBED COCCOCCN1C[C@H]2[C@H](NC(=O)CSCC#N)[C@H]2C1 1113897354 TZNLWULMWSNHBB-IMRBUKKESA-N 313.423 -0.047 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)Cc3ccc(C)o3)[C@H]2C1 1114146907 LNQBQNLQLVBCHQ-KBPBESRZSA-N 315.373 -0.074 30 20 DBED CNC(=O)CC(=O)N1C[C@H]2CC[C@H]1CN2c1cncc(C#N)n1 1114388443 XHYPVWLCOCBICE-NEPJUHHUSA-N 314.349 -0.336 30 20 DBED CC1(C)CN(c2cncc(C#N)n2)C[C@@H]1NC(=O)CNC(N)=O 1114424428 XJWWZUZWEQNEIY-JTQLQIEISA-N 317.353 -0.652 30 20 DBED N#CCN1C[C@@H]2C(NC(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)[C@H]2C1 1114593152 RGILTSUKYGUQKC-RHYQMDGZSA-N 306.366 -0.631 30 20 DBED C=CC(C)(C)C(=O)NC1[C@@H]2CN(CCNS(C)(=O)=O)C[C@@H]12 1114686412 LLXVGFRTMQSJJK-GHMZBOCLSA-N 315.439 -0.206 30 20 DBED C[C@H](NC(N)=O)C(=O)N[C@H]1C[C@H](CNc2cnc(C#N)cn2)C1 1114768044 JOMIWMRIZWDYEQ-GUBZILKMSA-N 317.353 -0.288 30 20 DBED N#Cc1nc(=NC[C@H]2C[C@H](NC(=O)C3(C(N)=O)CC3)C2)cc[nH]1 1114811993 ZUGRYVYOSBFBPT-MGCOHNPYSA-N 314.349 -0.658 30 20 DBED C[C@@H]1CCCN1CC(=O)NC1[C@H]2CN(CC(=O)NCC#N)C[C@H]12 1114831994 JOKUIEYLSXPXDC-AGIUHOORSA-N 319.409 -0.843 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)Cn3nccc3C)[C@H]2C1 1114895337 VOHGFMNRHHNOMQ-VIKVFOODSA-N 317.393 -0.460 30 20 DBED C[C@H](CN(C)C(=O)[C@@H]1CN(C)CCO1)Nc1cncc(C#N)n1 1115664171 KBWAUNOEMXEICP-YPMHNXCESA-N 318.381 -0.062 30 20 DBED C#CCOCCNC(=O)C(=O)N[C@@H]1C[C@@H](OCC)[C@]12CCCO2 1117394905 GBYPBWWNTLQBDQ-IOASZLSFSA-N 324.377 -0.405 30 20 DBED N#CCOc1ccc(NC(=O)C(=O)NC2(C(N)=O)CC2)cc1 1117438883 RQKPLUIBYZAHFT-UHFFFAOYSA-N 302.290 -0.338 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](N3CCCC3)C2)CCO1 1117844806 RAWPNXRUPQZVBQ-UONOGXRCSA-N 320.393 -0.176 30 20 DBED C[C@@H]1CN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)C[C@H](C2CC2)O1 1118249686 QHXMQKVAHIIQLJ-AXAPSJFSSA-N 321.377 -0.111 30 20 DBED C[C@@H](CN(C)C(=O)Cn1nccn1)Nc1cncc(C#N)n1 1120201039 XDDOSEOPVXDCON-JTQLQIEISA-N 300.326 -0.101 30 20 DBED C[C@@H](CN(C)C(=O)[C@@H]1CN(C)C(=O)N1)Nc1cnc(C#N)cn1 1120406561 CWBHEOQNDIEFCF-ONGXEEELSA-N 317.353 -0.369 30 20 DBED Cc1cc(C(=O)NC[C@@H](CO)Nc2cnc(C#N)cn2)no1 1121010311 MZYYBMWHHFKARY-JTQLQIEISA-N 302.294 -0.153 30 20 DBED COCC(=O)NCCC(=O)NC1CC2(CC(NCC#N)C2)C1 1121193915 LCCVRSIRXSHKOA-UHFFFAOYSA-N 308.382 -0.320 30 20 DBED Cc1nn(C)cc1C(=O)NC[C@H](CO)N=c1cc[nH]cc1C#N 1121212156 BSACAPMLNQGSRR-GFCCVEGCSA-N 314.349 -0.380 30 20 DBED Cc1cc(C(=O)NC[C@@H](CO)Nc2cnc(C#N)cn2)ncn1 1121311576 UOURIYCYFYWAJZ-NSHDSACASA-N 313.321 -0.351 30 20 DBED CCc1[nH]ccc1C(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1 1121393148 LLDVNEGKKMBZEB-SNVBAGLBSA-N 314.349 -0.137 30 20 DBED Cc1ccc(C#N)c(N[C@H](CO)CNC(=O)CCNC(N)=O)n1 1121591271 NZKYHRFMMQKEQR-NSHDSACASA-N 320.353 -0.791 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H](CO)Nc1ccc(C#N)cn1 1122035945 KCEABBGDEGSQGN-YPMHNXCESA-N 302.334 -0.119 30 20 DBED N#Cc1c(F)cccc1N[C@H](CO)CNC(=O)Cn1ncnn1 1122077709 LQZBBSQFLZYNRB-VIFPVBQESA-N 319.300 -0.727 30 20 DBED Cc1nc(N[C@@H](CO)CNC(=O)[C@H]2CCNC2=O)ccc1C#N 1122354853 JVZSEYCWFJLXJU-NEPJUHHUSA-N 317.349 -0.713 30 20 DBED CCc1nc(C#N)cc(NC[C@H](O)CN(C)C(=O)CC(N)=O)n1 1124201638 WBKVUUAKJXYJFS-JTQLQIEISA-N 320.353 -0.983 30 20 DBED CN(C[C@@H](O)CNc1ncccc1C#N)C(=O)c1nc[nH]n1 1124460808 RLUFWCBXFVFFCY-JTQLQIEISA-N 301.310 -0.384 30 20 DBED CN(C[C@H](O)CNc1ccc(C#N)nn1)C(=O)c1cncn1C 1124593091 VSNYGCJSFFNTOF-LLVKDONJSA-N 315.337 -0.373 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C[C@@H](O)CN(C)c1nccnc1F 1125162056 OVZRIPYCSGEFAV-RYUDHWBXSA-N 324.356 -0.091 30 20 DBED CC(=O)NC(C)(C)C(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1 1129326158 BQAQFOYQABIMTC-NEPJUHHUSA-N 319.369 -0.942 30 20 DBED C#CCCN[C@@H]1CN(C(=O)CCOCC#C)C[C@@H]1n1ccnn1 1129838161 SOKROXMSGDFKRQ-CABCVRRESA-N 315.377 -0.317 30 20 DBED C#CCN[C@@H]1CN(C(=O)COCCOC)C[C@H]1c1cn(C)cn1 1130546727 OYGRRAKWALNDAZ-DZGCQCFKSA-N 320.393 -0.400 30 20 DBED CC(C)C#CC(=O)N1CCC(=O)NCCN(C[C@H](C)O)CC1 1131360572 ZYHHDDMQWDKPRL-AWEZNQCLSA-N 309.410 -0.323 30 20 DBED C=CCCOCC(=O)N1CCC(=O)NCCN(CC#N)CC1 1131399599 VCNNRYADCZZHDB-UHFFFAOYSA-N 308.382 -0.247 30 20 DBED Cc1c[nH]nc1C(=O)N[C@@H]1CC[C@@H](C)N(CC(=O)NCC#N)C1 1132021940 SCKXLFHCIROLKF-VXGBXAGGSA-N 318.381 -0.059 30 20 DBED COCC#CCNCCNC(=O)c1ccnc2c1nnn2C 1132956901 CSARTUNGAQRIPS-UHFFFAOYSA-N 302.338 -0.668 30 20 DBED C[C@H](C[C@@H](C)NC(=O)CCc1cnc[nH]1)NCC(=O)NCC#N 1134545943 UCPDYIOIUUVWPQ-VXGBXAGGSA-N 320.397 -0.145 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@@H](C)N1CCCCCC1 1134757355 OHHJQVACLBVPLH-CQSZACIVSA-N 308.426 -0.294 30 20 DBED Cc1nc[nH]c1CC(=O)N[C@H](C)C[C@H](C)NCC(=O)NCC#N 1136031809 QOFBSFZTFUNRMH-WDEREUQCSA-N 320.397 -0.227 30 20 DBED C[C@@H](C[C@@H](C)NCC(=O)NCC#N)NC(=O)c1ccc(O)nc1 1136075082 ROCYQDQDBWEYPA-MNOVXSKESA-N 319.365 -0.087 30 20 DBED Cn1cnc(C(=O)N2CC3(CCN(CC(=O)NCC#N)C3)C2)c1 1147329033 LNCOGPUUCAGSAW-UHFFFAOYSA-N 316.365 -0.792 30 20 DBED COc1cc(OC)cc(C(=O)NCCNCC(=O)NCC#N)c1 1148945011 REWCHFOCOAECSF-UHFFFAOYSA-N 320.349 -0.337 30 20 DBED C=C(Cl)CN1CCCO[C@@H](CNC(=O)CNC(=O)NC)C1 1149816858 IJYBVOCRUMRLPV-NSHDSACASA-N 318.805 -0.125 30 20 DBED COCC#CCNCCNC(=O)CNC(=O)c1cc(C)oc1C 1151465936 MWUSELHQFNXYRV-UHFFFAOYSA-N 321.377 -0.018 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)[C@H](C)NC(C)=O 1151713237 FOCMGTNYENTODN-NEPJUHHUSA-N 310.398 -0.913 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)c1ccnnc1 1155423236 FEYHNJAKIDMXFZ-GFCCVEGCSA-N 303.366 -0.334 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)[C@@H]1CCN(C)C(=O)C1 1161155911 LJQOLNVJUKRBTR-CHWSQXEVSA-N 322.409 -0.911 30 20 DBED COCC#CCNCC1(CCNC(=O)[C@@H]2CC(=O)N(C)C2)CC1 1165307144 ODDLFGGERSBRFM-CQSZACIVSA-N 321.421 -0.009 30 20 DBED C=CCCCN1CCO[C@@H]2CCN(C(=O)Cn3cnnn3)C[C@@H]21 1176901124 WCXWKVGNPJFXMH-UONOGXRCSA-N 320.397 -0.059 30 20 DBED C=CCO[C@@H](C)C(=O)NCCCN[C@@H](C)C(=O)NC(N)=O 1177277597 TWGVZKFTYVFNQR-UWVGGRQHSA-N 300.359 -0.743 30 20 DBED COCC#CCNC[C@H]1C[C@H]2CC[C@H]1N(C(=O)CNC(C)=O)C2 1177580368 CDESNTWYAXUJPO-BZUAXINKSA-N 321.421 -0.011 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)C[C@@H]2CCNC2=O)[C@H]1C 1178870312 JZUNQXQTJVEIBK-AVGNSLFASA-N 322.409 -0.606 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)C[C@H]2COC(=O)C2)C1 1182006410 BCVRNEMOWZCMBI-VXGBXAGGSA-N 309.366 -0.568 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)CN2CCOCC2)C1 1182067325 LUBWLFQQBLJYSM-ZIAGYGMSSA-N 324.425 -0.800 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)CN2CCCCC2=O)C1 1183902628 KSVFEXCTSIGUQV-CYBMUJFWSA-N 322.409 -0.508 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2cc(C)no2)C1 1188844921 MUPNCCGQVVWCQL-GFCCVEGCSA-N 304.350 -0.121 30 20 DBED C#CCOCCC(=O)N1CC[C@H](N(C)[C@H]2CCCNC2=O)C1 1190127886 GOVDLEAUZWQWMR-KBPBESRZSA-N 307.394 -0.162 30 20 DBED CC#CCN(C)[C@H]1CCN(C(=O)CNS(=O)(=O)CC)C1 1190463236 QKISIOCBCUYLJX-LBPRGKRZSA-N 301.412 -0.518 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CN(CC(=O)NCC2CCC2)C[C@H]1O 1191854447 MVBSSICQGAFKCS-RAIGVLPGSA-N 308.382 -0.776 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CN(Cc2ccccc2C#N)C[C@H]1O 1192437309 ABMUUQCUZZINOU-ZIAGYGMSSA-N 316.361 -0.644 30 20 DBED C=CCNC(=O)[C@@H](C)N(C)[C@@H]1CCN(C(=O)CC(=O)N(C)C)C1 1192757451 BMMPMRVFTJDPPB-CHWSQXEVSA-N 324.425 -0.312 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)CCNC(=O)C(C)(C)C)C1 1195172603 RQHDDBIAWKHJRY-CHWSQXEVSA-N 309.410 -0.277 30 20 DBED Cc1n[nH]c(C)c1C(=O)N1CCCN(CC(=O)NCC#N)CC1 1197461067 MAELUIFGAAIDPW-UHFFFAOYSA-N 318.381 -0.186 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)C23CCN(CC2)C3)C1 1197819557 GJAMAMRWMNPOAD-ZIAGYGMSSA-N 309.410 -0.554 30 20 DBED CNC(=O)NC(=O)[C@@H](C)NC1CCN(C(=O)[C@H](C)C#N)CC1 1199815629 DBXOSCTWCFBQRB-NXEZZACHSA-N 309.370 -0.429 30 20 DBED C#CCNC(=O)CNC[C@H]1CN(C(=O)[C@@H](C)CC)CCCO1 1199885691 BUTTXMUIAHRDQC-KBPBESRZSA-N 309.410 -0.011 30 20 DBED C[C@@H](O)CNC[C@@H]1CN(C(=O)CSCC#N)CCCO1 1199911661 AOFNOLLIBQUPAJ-VXGBXAGGSA-N 301.412 -0.169 30 20 DBED C#CCNC[C@H]1CN(C(=O)c2cnc(N(C)C)cn2)CCCO1 1200511630 YNHPDIWXFINLCU-ZDUSSCGKSA-N 317.393 -0.004 30 20 DBED C#CCNC[C@H]1CN(C(=O)C2CCN(C(N)=O)CC2)CCCO1 1202021358 KBBFGDLDBKHMBA-AWEZNQCLSA-N 322.409 -0.383 30 20 DBED C=CCNC(=O)NC(=O)CN1C[C@@H](NC(=O)CC)[C@H](OC)C1 1211738561 IQAATODWEWRAAT-GHMZBOCLSA-N 312.370 -0.776 30 20 DBED CO[C@@H]1CN([C@@H]2CCCN(C)C2=O)C[C@H]1NC(=O)C#CC1CC1 1212246462 ULQGCGZVJVUONN-RBSFLKMASA-N 319.405 -0.164 30 20 DBED CNC(=O)[C@H](C)N1C[C@@H](NC(=O)C#CC(C)(C)C)[C@H](OC)C1 1212255540 MSDBFSXZTVHDNT-YNEHKIRRSA-N 309.410 -0.014 30 20 DBED C#CCCN1C[C@@H](NC(=O)CNC(=O)C2CCC2)[C@H](OC)C1 1213918390 SUCNOTZXXTZCIM-ZIAGYGMSSA-N 307.394 -0.259 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](N[C@H]2CCC(=O)NC2=O)[C@H](C)C1 1214583836 ATYMWQAMNBQPEB-FRRDWIJNSA-N 305.378 -0.113 30 20 DBED C[C@@H]1CN(C(=O)CCc2cnc[nH]2)C[C@H]1NCC(=O)NCC#N 1214811627 DLCDUDFPLFOZPZ-DGCLKSJQSA-N 318.381 -0.581 30 20 DBED C=CCCC(=O)N[C@@H]1CN(CC(=O)N(C)CC2CC2)C[C@@H]1O 1219332915 LQTVTBSQLCFTEX-KGLIPLIRSA-N 309.410 -0.018 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2csnc2C)C1 1219472098 DXYXFVFJGBCZIN-NEPJUHHUSA-N 324.406 -0.471 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN([C@H](C)c2nncn2C)C[C@@H]1O 1219587749 TYNQVFBJXOFVII-UPJWGTAASA-N 305.382 -0.303 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)CNC(=O)c2ccoc2C)C1 1219676973 HPCOCZZSGFHUPJ-OLZOCXBDSA-N 305.334 -0.888 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 1219827887 PTQNBRATAJBQRV-GBOPCIDUSA-N 320.393 -0.123 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2CN(CCCOC)C[C@@H]2O)c1 1220315164 UOCBRTLQGQCALJ-CABCVRRESA-N 303.362 -0.126 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)C[C@@H]2CCN(C)C2)C1 1220755607 SAVHTXFWNHGLDF-ZNMIVQPWSA-N 309.410 -0.861 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3ccn(C)n3)[C@@H]2C1 1222014938 NJZSQPPKNWHHEX-TZMCWYRMSA-N 315.377 -0.684 30 20 DBED C=CCNC(=O)CN1CC[C@@H]2CCN(C(=O)CC(=O)NC)C[C@@H]21 1222583732 DZAHOSQQZGKULD-OLZOCXBDSA-N 322.409 -0.653 30 20 DBED C#CCN1CCC(CNC(=O)[C@H](C)NS(=O)(=O)CC)CC1 1223274863 ZEGXUEXRWUYOMG-LBPRGKRZSA-N 315.439 -0.224 30 20 DBED CNC(=O)CCCC(=O)NC1CCN(CC(=O)NCC#N)CC1 1227005033 CGUYVLYZSMYYLW-UHFFFAOYSA-N 323.397 -0.877 30 20 DBED CS[C@@H](C)C(=O)NCC[C@@H]1CN(CC#N)CCS1(=O)=O 1230422001 DKNKWTVIZGVHOP-WDEREUQCSA-N 319.452 -0.133 30 20 DBED C=CCNC(=O)[C@@H](C)N(C)CCCNC(=O)[C@H]1CCC(=O)N1 1235767124 WXZNUEPRCUPKCS-VXGBXAGGSA-N 310.398 -0.606 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)[C@@H](C)S(C)(=O)=O)C1 1316983365 WUWJVQIZMWIFDC-NEPJUHHUSA-N 304.412 -0.187 30 20 DBED CSC[C@H](CCO)NC(=O)C(=O)Nc1cnn(CC#N)c1 1319960136 LIXVZNSHKDJJRQ-VIFPVBQESA-N 311.367 -0.425 30 20 DBED CC(=NOCC(=O)N[C@H]1CCS(=O)(=O)C1)c1cnn(C)c1 1325422534 IFIBRTLWCCFECL-NSHDSACASA-N 314.367 -0.536 30 20 DBED C=C(CC)CNC(=O)C(=O)N1CC[C@H](S(=O)(=O)NCC)C1 1325619542 SYYKQRGLZBOSCM-NSHDSACASA-N 317.411 -0.391 30 20 DBED C#C[C@H](NC(=O)C(=O)N1C[C@@H]2CCC[C@]2(CN)C1)[C@H]1CCCO1 1326548532 CILRQJJZTRLRMW-ZJOBFFGXSA-N 319.405 -0.129 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCOC[C@H](C)C1 1335674819 USCDQSFBXHYZNO-LLVKDONJSA-N 318.395 -0.802 30 20 DBED C=CCn1cc(Cn2nnnc2N(C)C[C@H]2COCCO2)nn1 1335938878 IBEVBYDXSQNKDB-LBPRGKRZSA-N 320.357 -0.650 30 20 DBED C=CCOCCn1nnnc1N1C[C@@H](C)S(=O)(=O)[C@H](C)C1 1337243355 VDPDGLVSHUOGHW-GHMZBOCLSA-N 315.399 -0.113 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N2CCN(CC3CC3)CC2)CCO1 1344686695 PHADNXHKXUFAFI-CYBMUJFWSA-N 306.366 -0.708 30 20 DBED COC(=O)N1CCC[C@H](NC(=O)C(=O)N2CCO[C@@H](C#N)C2)C1 1345549935 ZJCLVZDOZILVOQ-QWRGUYRKSA-N 324.337 -0.916 30 20 DBED C=CCN1CC(=O)N(C2CCC3(CC2)NC(=O)NC3=O)C1=O 1345756409 CFTAKVYZDFOYSD-UHFFFAOYSA-N 306.322 -0.043 30 20 DBED C#CCSCCNC(=O)C(=O)N1CCC[C@@H](CC(N)=O)C1 1346609367 AEIWDKNEBPLKLE-NSHDSACASA-N 311.407 -0.417 30 20 DBED Cn1cnc(S(=O)(=O)NCC(=O)NCC(C)(C)CC#N)c1 1362530955 ANSODBUYPLNXFW-UHFFFAOYSA-N 313.383 -0.246 30 20 DBED C[C@](O)(CC(=O)NCCn1cc(C#N)c(O)nc1=O)C1CC1 1362689175 OVYRHMRQRGVIBX-AWEZNQCLSA-N 306.322 -0.512 30 20 DBED N#Cc1ccc(CNC[C@@H](O)CNC(=O)c2cnn[nH]2)cc1 1367610497 SWGJCDSRNPPTQI-GFCCVEGCSA-N 300.322 -0.443 30 20 DBED N#Cc1ccccc1CNC[C@H](O)CNC(=O)Cn1cncn1 1374676120 BGLHXADZJCTEEA-AWEZNQCLSA-N 314.349 -0.583 30 20 DBED CC(C)NC(=O)NC(=O)[C@H](C)N1CC(CNC(=O)[C@H](C)C#N)C1 1377959526 HQLZWAXEPCCHLV-MNOVXSKESA-N 323.397 -0.183 30 20 DBED CCCNC(=O)NC(=O)CN[C@H]1C[C@H](CNC(=O)[C@@H](C)C#N)C1 1397108486 JIUSLJFYQIZXAP-SRVKXCTJSA-N 323.397 -0.134 30 20 DBED CCN(CCNC(=O)CCCS(C)(=O)=O)C(=O)[C@@H](C)C#N 1398111399 BFWJNIJRUSJBEM-NSHDSACASA-N 317.411 -0.064 30 20 DBED N#Cc1cccc([C@@H]2CN(C(=O)[C@H](CO)NC(N)=O)CCO2)c1 1412008370 QAHBYRFYYPLGCI-STQMWFEESA-N 318.333 -0.513 30 20 DBED CC(C)OC1CN(C(=O)CCn2cc(C#N)c(O)nc2=O)C1 1412413004 XOGHCKSMACRKJK-UHFFFAOYSA-N 306.322 -0.154 30 20 DBED C[C@H]1CCC[C@@]1(O)CNC(=O)CCn1cc(C#N)c(O)nc1=O 1413019602 TZFJZOXASIZNBA-ZUZCIYMTSA-N 320.349 -0.122 30 20 DBED C[C@H](CN(C)C(=O)c1cn(C)c(=O)nc1O)NC(=O)[C@H](C)C#N 1443828004 SRTFAKMRCMQPLA-RKDXNWHRSA-N 321.337 -0.778 30 20 DBED CCC(=O)N1CC[C@@H](C(=O)N(C)CCNC(=O)[C@@H](C)C#N)C1 1449187398 JJKPWMQKMIXVTF-NWDGAFQWSA-N 308.382 -0.021 30 20 DBED CN(C(=O)Cn1ncn2nccc2c1=O)c1cc(C#N)ccn1 1459115263 ZWVWUMWMEJXVQG-UHFFFAOYSA-N 309.289 -0.179 30 20 DBED CNC(=O)C[C@H](C)NC(=O)N1CCC(C#N)(C(=O)OC)CC1 1470201674 RNQBXVXLJWPLGW-JTQLQIEISA-N 310.354 -0.001 30 20 DBED CCOC(=O)N1CCN(c2[nH]c(=O)n(C)c(=O)c2C#N)CC1 1472641068 QXPMBFJZBCOVGY-UHFFFAOYSA-N 307.310 -0.776 30 20 DBED COc1cccc(C(=O)N(C)C[C@H](O)CNC(=O)[C@H](C)C#N)n1 1488401856 OBHZXMFLRTWWLS-GHMZBOCLSA-N 320.349 -0.201 30 20 DBED C=C(Cl)CN1CC(CNC(=O)CCNS(C)(=O)=O)C1 1494558027 VWFVDORVLQNNAO-UHFFFAOYSA-N 309.819 -0.274 30 20 DBED CC(=O)NCC(C)(C)C(=O)N1CC(CNC(=O)[C@@H](C)C#N)C1 1498678025 ONVIEHAGZKNVHO-JTQLQIEISA-N 308.382 -0.117 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H](O)CNC(=O)[C@H]2CCCOC2)c1 1501455466 ANFQLKSRJSTQFS-NWDGAFQWSA-N 320.349 -0.480 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@](C)(NC(=O)CCN2CCOCC2)C1 1506465042 PCURTKNSVTXKFB-CZUORRHYSA-N 322.409 -0.024 30 20 DBED C#CCN(C)c1nnc(C2=NO[C@@H](CO)C2)n1C[C@@H]1CCOC1 1519601025 YXIXJUPYCWHWGY-NWDGAFQWSA-N 319.365 -0.131 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)CN(C)C(=O)C3CC3)[C@H]2C1 1526199484 XFVCJTOTGHLFSJ-WUWHUORYSA-N 318.377 -0.413 30 20 DBED CCn1cc(C#N)c(NC(=O)N[C@@H]2COC[C@@H]2O)c1C(=O)O 1573844435 IBJCWVGESREZKY-BDAKNGLRSA-N 308.294 -0.041 30 20 DBED C#CC[C@@H](CO)NC(=O)NC[C@H](N1CCNCC1)C(F)(F)F 1574505487 WLWATFBQKLFKMN-QWRGUYRKSA-N 322.331 -0.494 30 20 DBED C#CCSCCNC(=O)C(=O)N1C[C@H](C)O[C@H](C(=O)O)C1 1588506493 SJWWFHKONIHONR-UWVGGRQHSA-N 314.363 -0.831 30 20 DBED C[C@](O)(Cn1ccccc1=O)C(=O)N(CC#N)CCC(=O)O 1593419312 JMJYOSINPPZZCA-AWEZNQCLSA-N 307.306 -0.574 30 20 DBED COC[C@@]1(C(=O)O)CCCN1C(=O)[C@@H](C)n1cnc(C#N)n1 1599191506 UKKBOAZHSXVBSW-NOZJJQNGSA-N 307.310 -0.197 30 20 DBED N#CCCN1CCN(C(=O)C(=O)N2CCC[C@@H]2CC(=O)O)CC1 1601067775 LWYFRQYDFSWNOP-GFCCVEGCSA-N 322.365 -0.490 30 20 DBED C#CCSCCNC(=O)C(=O)Nc1cnn(CC(=O)O)c1C 1602734297 KQJKKALEBYLNTL-UHFFFAOYSA-N 324.362 -0.303 30 20 DBED C[C@@](C#N)(CC(=O)O)C(=O)N1CCC[C@]2(C1)NC(=O)NC2=O 1602778440 ISJONTJHCABPIA-QWHCGFSZSA-N 308.294 -0.808 30 20 DBED CO[C@H]1COCC[C@H]1CNc1cnc(C#N)c(-c2nn[nH]n2)n1 1605036103 DUZZYQOBVHBKSO-WPRPVWTQSA-N 316.325 -0.008 30 20 DBED COCc1ccc(C(=O)O)cc1S(=O)(=O)NCC#CCO 1606956449 OZBJOUQRPNZWRY-UHFFFAOYSA-N 313.331 -0.195 30 20 DBED C=CCN1C(=O)C(=O)N(Cc2nc([C@H](C)C(=O)O)no2)C1=O 1609636885 QENUMPQYWKMTEH-LURJTMIESA-N 308.250 -0.266 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(C(=O)c2nccnc2N)[C@@H]1C 1735298283 IVUJNTMBHGSWOM-MNOVXSKESA-N 319.365 -0.019 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1C[C@H](NC(=O)Cc2ccn(C)n2)C1 1752628880 LLOCRMQCRDUBBW-MRVWCRGKSA-N 317.393 -0.663 30 20 DBED C=CCNC(=O)[C@H](C)N1CC(CNC(=O)[C@@H](C)n2cncn2)C1 1753400134 XYPRSCZLBBGYOI-NWDGAFQWSA-N 320.397 -0.422 30 20 DBED C[C@@H](CNCC(=O)NCC#N)N(C)C(=O)c1ccnc(O)c1 1753686106 QWQJEULHCUOTSX-JTQLQIEISA-N 305.338 -0.523 30 20 DBED C#CCNC(=O)CNC/C=C\CNC(=O)c1ccnc(OC)c1 1754139354 FAKILNFSMBELQE-PLNGDYQASA-N 316.361 -0.285 30 20 DBED C#CCNC(=O)[C@H](C)N(C)C[C@H](C)NC(=O)c1c(C)ncn1C 1754315982 LOBADKMCCHOZSO-AAEUAGOBSA-N 319.409 -0.083 30 20 DBED COCC#CCNC1(CNC(=O)c2cccn3nnnc23)CC1 1754515514 YCVAICPNRGJHQN-UHFFFAOYSA-N 314.349 -0.374 30 20 DBED C[C@@H](CN1CCOCC1)C(=O)NCC1(NCC#N)CCOCC1 1754742411 FLGPSCHOLMLWOG-AWEZNQCLSA-N 324.425 -0.267 30 20 DBED C=CCCCCCN1CC[C@@](O)(CNC(=O)[C@@H]2CNC(=O)N2)C1 1754754358 KVTNKEDCQROABO-XJKSGUPXSA-N 324.425 -0.033 30 20 DBED C=CCNC(=O)CN1CC[C@@](O)(CNC(=O)c2ccns2)C1 1754754750 QTSDOLNVVKYFGE-CQSZACIVSA-N 324.406 -0.388 30 20 DBED C[C@H](CC(N)=O)C(=O)N[C@@H]1CCCN(CC(=O)NCC#N)CC1 1755026215 KFCYACIUXYZDTH-VXGBXAGGSA-N 323.397 -0.892 30 20 DBED C#CCNC(=O)CN1CC2(C[C@@H](NC(=O)C3CC=CC3)CO2)C1 1755058058 CNYULYYGFRBNTK-CQSZACIVSA-N 317.389 -0.339 30 20 DBED C#CCOCCC(=O)NCC1CC(NC(=O)c2ncn(C)n2)C1 1755934198 TURYKEPQONVCGA-UHFFFAOYSA-N 319.365 -0.520 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1C[C@H](NC(=O)[C@@]2(C)CCNC2=O)C1 1756263260 IJBRCSOJXNAUOL-CZFOOCMKSA-N 306.366 -0.317 30 20 DBED CC(C)C#CC(=O)N[C@@H](CO)CNC(=O)c1n[nH]c2c1CCC2 1756533684 SHVJONHFQFEGDQ-LLVKDONJSA-N 318.377 -0.235 30 20 DBED C=C(C)CCC(=O)N[C@@H]1CN(C(=O)CCn2cnnn2)C[C@@H]1O 1757179549 XALJKLAEEJUJJP-NEPJUHHUSA-N 322.369 -0.893 30 20 DBED COc1cc(C#N)ccc1S(=O)(=O)NC[C@@](C)(O)C(=O)O 1777263775 CXCNLTWYBTWQTC-GFCCVEGCSA-N 314.319 -0.319 30 20 DBED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)CN(C)C(C)C)C2)C1 1784775275 AYUZUXNVXBQFMT-MRXNPFEDSA-N 307.394 -0.210 30 20 DBED N#CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccnc1)C2 1795077969 GRUKDEBBENLHPW-JJLQDPRZSA-N 317.349 -0.614 30 20 DBED N#CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1CCOCC1)C2 1795461574 LUGLTJTXUCSOBH-BTTYYORXSA-N 320.393 -0.130 30 20 DBED CCNC(=O)NC(=O)CN1CCN(c2cc(C#N)ccn2)CC1 29445057 VEFUNRPAVLXNDG-UHFFFAOYSA-N 316.365 -0.079 30 20 DBED Cc1oc(NC(=O)CN2CCO[C@H](C(N)=O)C2)c(C#N)c1C 51106012 KUBUELGSOLTYCG-NSHDSACASA-N 306.322 -0.107 30 20 DBED CCS(=O)(=O)NCCNC(=O)C(=O)Nc1ccc(C#N)cc1 62197246 MMAWMMUKAXTQAJ-UHFFFAOYSA-N 324.362 -0.448 30 20 DBED N#Cc1ccc(CS(=O)(=O)N[C@@H](CC(=O)O)C(=O)O)cc1 108444113 CCXLJQJKTKAXHE-JTQLQIEISA-N 312.303 -0.094 30 20 DBED C#CCOCCOCCOCCOCCOS(C)(=O)=O 200944221 YAJMXBLFTREVCV-UHFFFAOYSA-N 310.368 -0.338 30 20 DBED C#CCSCCNC(=O)NCCCN1CCC[C@@H]1C(N)=O 265823336 YMLDGDXDGPNNBR-GFCCVEGCSA-N 312.439 -0.008 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCc3ccncc32)C1=O 272464185 YXOPEGVWGHDEOP-UHFFFAOYSA-N 314.301 -0.053 30 20 DBED CN(CC(C)(CO)CO)C(=O)C(=O)Nc1cccc(C#N)c1 276090546 FHYHKZDLPDNSDT-UHFFFAOYSA-N 305.334 -0.054 30 20 DBED N#Cc1cc(F)c(S(=O)(=O)N2C[C@@H](O)[C@H](O)C2)c(F)c1 277609714 XWRWYUSKOXUKNJ-NXEZZACHSA-N 304.274 -0.437 30 20 DBED COc1ccc(CNc2c(C#N)c(=O)n(C)c(=O)n2C)nc1 277996542 NFLFQYHBYAMWGN-UHFFFAOYSA-N 301.306 -0.029 30 20 DBED N#Cc1ncn(CCNC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)n1 285025022 IFSOTOFRDIFWLS-GAIPPQHRSA-N 301.306 -0.211 30 20 DBED N#Cc1cncc(S(=O)(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)c1 289427570 IQBKEUMTEBHDLB-GXSJLCMTSA-N 310.335 -0.736 30 20 DBED O=S1(=O)CCN(/C(O)=N/CCN2CCSCC2)CC1 329772555 KRUURFUHYBBBBV-UHFFFAOYSA-N 307.441 -0.320 30 20 DBED O=C1COCCN1C/C(O)=N/C[C@H]1CCCCS1(=O)=O 329866666 VCIWEZJPFDLWPD-SNVBAGLBSA-N 304.368 -0.231 30 20 DBED CN1CCO[C@H]2CN(S(=O)(=O)c3cccnc3C#N)C[C@@H]21 330303684 KASJBSQIWXCBSH-RYUDHWBXSA-N 308.363 -0.343 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)NCC(=O)N1CCCC1 330382513 XEYMCWRJUWQKCF-NSHDSACASA-N 302.400 -0.075 30 20 DBED CCS(=O)(=O)NCCC/N=C(/O)N[C@H]1CCC(=O)N(C)C1 330883758 KDFWUXBTDRUEGG-JTQLQIEISA-N 320.415 -0.560 30 20 DBED CC/N=C(/O)NC(=O)[C@H](C)N1CCO[C@@H](c2n[nH]c(C)n2)C1 330904988 UPFUWBDEECSTIZ-WCBMZHEXSA-N 310.358 -0.075 30 20 DBED CCN(CCC#N)S(=O)(=O)NCCN1CCCOCC1 337162692 VUUYEJKBHBFLQA-UHFFFAOYSA-N 304.416 -0.221 30 20 DBED N#Cc1cc([N+](=O)[O-])cnc1NCCNC(=O)c1cnccn1 338720651 MBRUPKUGQHCJLS-UHFFFAOYSA-N 313.277 0.493 30 20 DBED C[C@@H](C#N)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 340449906 SVLIYYWIHGCIRG-IUCAKERBSA-N 324.362 -0.519 30 20 DBED N#CCCn1ccc(NC(=O)C(=O)N[C@H](CO)CC2CCC2)n1 340612158 JDTATKZYNUONAO-LBPRGKRZSA-N 319.365 0.403 30 20 DBED COCCCNC(=O)[C@@H](C)N1CCN(C(=O)[C@H](C)C#N)CC1 347103758 AMUONCDISRHFAG-CHWSQXEVSA-N 310.398 -0.169 30 20 DBED CN(C)CCN(C(=O)CSCC#N)[C@@H]1CCS(=O)(=O)C1 358404047 AMHQKASKVKLUFQ-LLVKDONJSA-N 319.452 -0.180 30 20 DBED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCC(CO)CC2)n1 359017558 CEAHXVVPKOTRPF-UHFFFAOYSA-N 319.365 0.505 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2C[C@@H]3CNCC[C@H]3C2)nn1 424549546 RNOQRNFRXVJAQE-RYUDHWBXSA-N 318.381 -0.852 30 20 DBED CNC(=O)CNC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C 434666822 VDCJFNAJAGYPGT-UHFFFAOYSA-N 305.338 -0.085 30 20 DBED N#Cc1cc(F)ccc1S(=O)(=O)N1C[C@@H](CO)[C@H](CO)C1 528468066 WYYNMPZBUYXAPZ-QWRGUYRKSA-N 314.338 -0.081 30 20 DBED Cc1nn(C)c(N2CCN(C(=O)[C@@H]3COCCO3)CC2)c1C#N 530464277 NQNBIZWOQYDANL-ZDUSSCGKSA-N 319.365 -0.336 30 20 DBED CC#CCCNC(=O)Cn1ccc2c(=O)n(C)c(=O)n(C)c21 542672692 WVQYAABCAIPCSE-UHFFFAOYSA-N 302.334 -0.432 30 20 DBED C[C@H]1CN(C(=O)NCCn2cnc(C#N)n2)C[C@@]2(CCOC2)O1 553968646 DJUGAVVSXOIUGY-SMDDNHRTSA-N 320.353 -0.261 30 20 DBED Cc1cc(C#N)cnc1C(=O)N1CCN(S(C)(=O)=O)CC1 558900821 IDJSDOLERYMIJP-UHFFFAOYSA-N 308.363 -0.021 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N1CC(C)(C)OC[C@@H]1C(=O)O 572411093 BYMDTIWBJFDILZ-VHSXEESVSA-N 319.383 -0.113 30 20 DBED CC(=O)N1CCN(C(=O)C(=O)Nc2cc(C)c(C#N)cn2)CC1 576001122 VHPHUDRFTQXLOC-UHFFFAOYSA-N 315.333 -0.109 30 20 DBED Cc1cc(N[C@@H]2CNC(=O)C2)c(C#N)c(N[C@H]2CNC(=O)C2)n1 596185649 ZHEJAPBENNJVQW-VHSXEESVSA-N 314.349 -0.138 30 20 DBED CN(C)S(=O)(=O)NCCNC(=O)N1CCC[C@@](C)(C#N)C1 596614360 PQYGOORRSXOGCB-LBPRGKRZSA-N 317.415 -0.282 30 20 DBED C=C[C@H](O)C(=O)N1CCC(C(=O)OCC)([S@@](C)=O)CC1 597711478 DSYQDJTXJTXKSQ-WVDJIFEKSA-N 303.380 -0.164 30 20 DBED N#Cc1ccc(NC(=O)C(=O)NC[C@H]2COCCN2)c(F)c1 599898958 KDYZYIXGOSMFGT-JTQLQIEISA-N 306.297 -0.260 30 20 DBED CN(Cc1cnc[nH]1)C(=O)C(=O)N1CCN(CCC#N)CC1 601533868 RHOZTUHWBYDBBA-UHFFFAOYSA-N 304.354 -0.574 30 20 DBED C[C@H](C[C@@H]1CCOC1)NC(=O)C(=O)N1CCN(CCC#N)CC1 602249761 BISWJRWTXASWMH-KGLIPLIRSA-N 322.409 -0.024 30 20 DBED C[C@H](C#N)N(C)C(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 602424483 QVSKZSOAZCMAGX-AIPRNEOBSA-N 305.334 -0.091 30 20 DBED N#Cc1cnn(CCOC(=O)[C@]23CCC(=O)N2CCS3)c1N 731771434 GUSTZWOSIVGVKK-CYBMUJFWSA-N 321.362 -0.054 30 20 DBED Cc1nnc(S[C@H](C(N)=O)c2ccc(C#N)cc2)n(N)c1=O 734367831 MCOWYTPNLBBZQR-JTQLQIEISA-N 316.346 -0.149 30 20 DBED CC(=NNC(=S)NCCN1CCOCC1)c1nccn1C 755499294 OSPUAYQVMITRQO-UHFFFAOYSA-N 310.427 -0.060 30 20 DBED C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)O[C@H](C#N)C1CC1 756296582 WFGSGOXCIGWYSS-LDYMZIIASA-N 312.351 -0.068 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)CCOC)C1=O 761945821 BEZPUPYRNWOWBZ-UHFFFAOYSA-N 312.278 -0.888 30 20 DBED O=C1N=C(NN=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)NC1=O 765594370 QJZAANZLIZVBGL-UHFFFAOYSA-N 319.233 -0.698 30 20 DBED C[C@H]1CCC(=NNC(=S)NCC(N)=O)[C@H](n2cncn2)C1 794510563 SQFKNNUCJYDHGJ-WCBMZHEXSA-N 309.399 -0.055 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@@H]1CCN(C2CC2)C1)[C@@H]1CCCO1 803179074 GGGYTTUNYFIADX-XBFCOCLRSA-N 305.378 -0.364 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCC(C(=O)OC)CC1)[C@H]1CCCO1 809307864 DFCUWQCLUIXENU-QWHCGFSZSA-N 322.361 -0.305 30 20 DBED C#CCN1CCN(C(=O)C2(S(C)(=O)=O)CCOCC2)CC1 814107152 WZQAXMWPKCBJCD-UHFFFAOYSA-N 314.407 -0.642 30 20 DBED C#CC[C@@H](CO)NC(=O)c1cc(S(N)(=O)=O)ccc1OC 816671309 SXASQBINEYJYEY-VIFPVBQESA-N 312.347 -0.543 30 20 DBED C#CC[C@H](CO)NC(=O)CN1CCN(c2ccccn2)CC1 820060056 SLTQQLOBIWUPPD-CQSZACIVSA-N 302.378 -0.296 30 20 DBED C#CC[C@H](CO)NC(=O)c1cc(S(N)(=O)=O)ccc1F 820064628 HWTYOKLVYJVZPW-MRVPVSSYSA-N 300.311 -0.413 30 20 DBED CCCNC(=O)NC(=O)Cn1cnc(-c2nn[nH]n2)c1C#N 825333356 WXFHBNNBZZJHND-UHFFFAOYSA-N 303.286 -0.829 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)CC(N)=O)C1 936955811 DEKDOIDMHLTUPF-STQMWFEESA-N 320.393 -0.981 30 20 DBED C[C@@H](C(=O)N[C@@H]1CCN(C(=O)[C@H](C)C#N)C1)N1CCOCC1 941477955 UKUCKQMJHPSCNR-FRRDWIJNSA-N 308.382 -0.416 30 20 DBED CCN(C(=O)c1c[nH]c(C#N)c1)[C@H]1CCN(C(=O)C(N)=O)C1 942752281 NPEBEVZRTRTEJS-NSHDSACASA-N 303.322 -0.565 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2[C@H]3C[C@H]2N(C(=O)c2cnn[nH]2)C3)[nH]1 946952111 YHVOOWWTIDOIPK-UPZJHPNMSA-N 311.305 -0.353 30 20 DBED CCN(C(=O)c1cc(C#N)c[nH]1)C1CN(Cc2nnn(C)n2)C1 949854780 XCKLGOTWPVBTNJ-UHFFFAOYSA-N 314.353 -0.244 30 20 DBED CN(C(=O)c1ccc(C#N)[nH]1)C1CN(C(=O)[C@@H]2COC(=O)N2)C1 954079912 LYRWGBGISAPMIM-NSHDSACASA-N 317.305 -0.722 30 20 DBED C=C(C)C(C)(C)C(=O)N1CC(N(C)C(=O)[C@H]2CNC(=O)N2)C1 955154706 DKWXPSWPSRTNNT-LLVKDONJSA-N 308.382 -0.061 30 20 DBED CN1C[C@@H](C(=O)NC[C@@H]2CCCN2C(=O)C#CC2CC2)NC1=O 956002959 RPPJGQJMKFYTIZ-STQMWFEESA-N 318.377 -0.469 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(C)(NC(=O)[C@@H]2CCNC2=O)CC1 956444886 PMYDMVBGXGXHGL-WDEREUQCSA-N 306.366 -0.221 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2cnc(C)nc2OC)C1 958121804 MEQXPFGMVQUUNY-YPMHNXCESA-N 304.350 -0.551 30 20 DBED CC#CCN1C[C@H](CNC(=O)c2nc[nH]c3nccc2-3)[C@@H](O)C1 958220150 UEMMBZHWPRWKTJ-AAEUAGOBSA-N 313.361 -0.045 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](NC(=O)Cn2cnnc2O)[C@H](C)C1 958368517 SDDXOJBSPQKGHJ-IVZWLZJFSA-N 306.326 -0.894 30 20 DBED C#CCN1CCC(C(=O)N2CCOC3(CN(C(C)=O)C3)C2)CC1 965405136 REAIRIPXKZOTCC-UHFFFAOYSA-N 319.405 -0.209 30 20 DBED Cc1ncc(C(=O)N[C@H]2COC3(C2)CN(C(=O)[C@@H](C)C#N)C3)[nH]1 965655886 NEAIUJVGMLDYSS-GXSJLCMTSA-N 317.349 -0.023 30 20 DBED C[C@@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)CS(C)(=O)=O)C2 969805659 KBKFZAQRERLZGC-DCAQKATOSA-N 313.379 -0.608 30 20 DBED C#CCN(C)[C@H]1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)C1 972555542 PLDLPBBRKGSZLI-LBPRGKRZSA-N 304.350 -0.907 30 20 DBED C=CCn1cc(C(=O)N[C@H]2[C@@H]3CN(C(=O)[C@H](C)C#N)C[C@@H]32)nn1 976529626 IKZUOXFVROFRPA-DCQANWLSSA-N 314.349 -0.190 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)C[C@@H]3CCC(=O)N3)[C@H]2C1 976832252 ZJMCQEUSGMNAQM-MOUCOTEISA-N 304.350 -0.612 30 20 DBED CN(C[C@@H]1CCN1C(=O)C#CC1CC1)C(=O)c1nnn(C)n1 978205320 SZDSPDHASRRKAP-NSHDSACASA-N 302.338 -0.704 30 20 DBED C=CCN1CC[C@@H](N2CCCC3(CN(C(=O)C(N)=O)C3)C2)C1=O 981978502 AEIRBLVTPXLCPD-GFCCVEGCSA-N 320.393 -0.817 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCCN(Cc2nnn(C)n2)CC1 981993042 WKIXDAZZNGTRBV-OLZOCXBDSA-N 320.397 -0.165 30 20 DBED C=C(C)CN[C@H]1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)[C@H]1C 987104761 RYTURCWSCFVFGN-AAEUAGOBSA-N 320.393 -0.147 30 20 DBED COC(=O)[C@H]1C[C@@H]1C(=O)NC1CN(C(=O)c2ccc(C#N)[nH]2)C1 990469179 NTWHPGHDXVDALT-QWRGUYRKSA-N 316.317 -0.364 30 20 DBED CN1C(=O)CC[C@H]1C(=O)N1CC(NC(=O)c2cc(C#N)c[nH]2)C1 990706380 BDPLEGRUBOYMDR-LBPRGKRZSA-N 315.333 -0.552 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(C)=O)C[C@@H]1n1ccnn1 990962727 GTIOXSVQTPPTFU-MQYQWHSLSA-N 319.365 -0.243 30 20 DBED C=C(C)CNC1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)CC1 996645965 OUKPOGVENGGCJN-UHFFFAOYSA-N 320.393 -0.296 30 20 DBED C#CCNC1CC(N(C)C(=O)C2(n3cnnn3)CCOCC2)C1 999539085 XGRVAKWBNAAFKQ-UHFFFAOYSA-N 318.381 -0.609 30 20 DBED N#CCN1CC[C@@H](n2cc(CNC(=O)c3cnsn3)nn2)C1 999955958 MSKULLJVGHKGAX-SNVBAGLBSA-N 318.366 -0.170 30 20 DBED C=C(C)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)C(N)=O)CCO2)C1 1007683820 GNAAYBPQNKEUTG-MRXNPFEDSA-N 323.393 -0.096 30 20 DBED C[C@H]1C[C@@H](CNC(=O)c2ccc(C#N)[nH]2)CN1C(=O)CC(N)=O 1010062760 DABRXZNAAXLQAL-UWVGGRQHSA-N 317.349 -0.271 30 20 DBED C#Cc1cncc(C(=O)NC[C@H]2C[C@H](C)N(C(=O)C(N)=O)C2)c1 1010294890 KIUKPZQQJDIBBJ-CMPLNLGQSA-N 314.345 -0.485 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2C(NC(=O)c3cn(C)c(O)n3)[C@@H]2C1 1013723423 STIXBFLERACOCJ-IWSPIJDZSA-N 303.322 -0.528 30 20 DBED C=C(C)CN1CCC2(CC1)C[C@@H]2NC(=O)CN1CCNC(=O)C1 1016760880 DGIIPNICWLNCCH-AWEZNQCLSA-N 320.437 -0.035 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCN(C(=O)[C@H]3COCCN3C)C2)C1 1019363085 MAPDOUHWNSLERD-CHWSQXEVSA-N 320.393 -0.462 30 20 DBED C=C1CCC(C(=O)NC[C@H]2CN(C(=O)C(N)=O)CCCO2)CC1 1019665623 NLHBSCQKLUIDRR-ZDUSSCGKSA-N 323.393 -0.048 30 20 DBED N#CCN1CC[C@@H]2[C@H](CCCN2C(=O)CN2C(=O)CNC2=O)C1 1021729999 JLJFVXPKHCFMHQ-VXGBXAGGSA-N 319.365 -0.625 30 20 DBED CCc1ncoc1C(=O)N[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1O 1025548442 DMWVOGVBXMUUKI-FBIMIBRVSA-N 306.322 -0.302 30 20 DBED N#CCN1CC[C@H](CNC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 1028707590 UFTUBWJFEIEYHZ-PWSUYJOCSA-N 302.338 -0.673 30 20 DBED C=CCn1cccc1C(=O)NC1CN(Cc2nc(=O)n(C)[nH]2)C1 1030446823 SRNSGMCUIZLQPT-UHFFFAOYSA-N 316.365 -0.290 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)Cn3cncc3C)C2)C1=O 1030684020 ITZPZVNCIWQBCC-CQSZACIVSA-N 317.393 -0.221 30 20 DBED C=CCn1cc(C(=O)N2C[C@@H]3C[C@H]2CN3[C@H](CC)C(N)=O)nn1 1032670348 VMIGXSNSPUEAJY-GMXVVIOVSA-N 318.381 -0.373 30 20 DBED C#CCN[C@@H]1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)C[C@@H]1C 1036203023 MPBFPOQVQSRQIL-WCQYABFASA-N 318.377 -0.843 30 20 DBED C=CCO[C@@H](C)C(=O)NC[C@@]1(O)CCN(C(=O)COC)C1 1040161164 KJVXTOLBLSWZHG-FZMZJTMJSA-N 300.355 -0.697 30 20 DBED C[C@]1(C(=O)N[C@@H]2CN(c3cnc(C#N)cn3)C[C@H]2O)CCOC1 1041148424 ZFUGXCRZTZDVSF-JMSVASOKSA-N 317.349 -0.559 30 20 DBED C[C@@H]1C[C@H]1C(=O)NCC1(O)CN(C(=O)c2cc(C#N)c[nH]2)C1 1041284892 IESPYHSHGKMEMD-MWLCHTKSSA-N 302.334 -0.155 30 20 DBED CC#CCN1CC[C@]2(CCN(C(=O)CN3CCOCC3=O)C2)C1 1041361628 BHTYSNJJEGLFAH-KRWDZBQOSA-N 319.405 -0.207 30 20 DBED C=CCN1CC[C@]2(CCN(C(=O)Cn3ncn(C)c3=O)C2)C1 1041420665 DCKLZELOOLFFFK-HNNXBMFYSA-N 305.382 -0.308 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H]1CN(C(=O)CC(N)=O)CCCO1 1041486790 LEVXLSOKTMRKRM-GFCCVEGCSA-N 317.349 -0.720 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)[C@H]2CC2(C)C)C1 1042600392 JBGGXXCZMWLTMJ-GFCCVEGCSA-N 308.378 -0.238 30 20 DBED C=CCCOCC(=O)N1CC(O)(CNC(=O)[C@@H]2CC2(F)F)C1 1042919330 KQUMXTSDKFIXQE-JTQLQIEISA-N 318.320 -0.076 30 20 DBED Cc1ncc(C(=O)N[C@@H]2CN(c3ccc(C#N)nc3)C[C@@H]2O)[nH]1 1043876964 HTLXSQPPTMPVDA-KGLIPLIRSA-N 312.333 -0.036 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)c2ncc(OC)cn2)C1 1044162987 MYCMBZISEPHHKV-UHFFFAOYSA-N 320.349 -0.246 30 20 DBED CC#CCN1CC(N(C)C(=O)c2cn(CC(=O)N(C)C)nn2)C1 1044336759 VBASOYWGPSOUGO-UHFFFAOYSA-N 318.381 -0.854 30 20 DBED C=C(C)CN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCNC(=O)CC2)C1 1047470660 TYSSAOLXAGFMSE-RDBSUJKOSA-N 309.410 -0.018 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)COC)C2 1047471855 LCYBAFLNOCIFTH-XQQFMLRXSA-N 321.377 -0.732 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2cncc(C(N)=O)c2)C1 1047631120 IVZVHNCVRFXADM-KBPBESRZSA-N 316.361 -0.679 30 20 DBED C#CCOCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C2(C)CC2)C1 1048957098 FBEBGFBKEHQNFQ-STQMWFEESA-N 308.378 -0.144 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1 1051126371 FHMXRTNFKSMOPG-SOUVJXGZSA-N 302.378 -0.026 30 20 DBED N#Cc1cnc(N2CC[C@@H](NC(=O)c3cnon3)[C@H](O)C2)cn1 1051719313 SDMBPVZFBDJYAQ-MWLCHTKSSA-N 315.293 -0.899 30 20 DBED C#CCN1CC2(C1)CN(C(=O)c1ccc3nncn3c1)CCO2 1053470475 SQSURXOIRFIYLH-UHFFFAOYSA-N 311.345 -0.111 30 20 DBED C[C@H]1CN(C(=O)Cc2nnn(C(C)(C)C)n2)C[C@H]1NCC#N 1054682932 YKZQZLJXBIXIJT-WDEREUQCSA-N 305.386 -0.069 30 20 DBED C[C@@H](C(=O)N1CCN(c2ccnc(C#N)n2)CC1)n1cncn1 1055754582 VQVAAAOCUJUORT-NSHDSACASA-N 312.337 -0.150 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@]1(CO)CCCN(C(=O)COC)C1 1055912123 MLJOYTVYCIUJHC-LSDHHAIUSA-N 314.382 -0.570 30 20 DBED Cn1cncc1CC(=O)NC1[C@@H]2CN(c3ccnc(C#N)n3)C[C@@H]12 1056254501 QWFJRRFUUZWAIM-VXGBXAGGSA-N 323.360 -0.125 30 20 DBED N#Cc1cccnc1N1C[C@H]2[C@H](NC(=O)[C@H]3CCNC3=O)[C@H]2C1 1056355478 KUWAVWPERGDODN-WUHRBBMRSA-N 311.345 -0.360 30 20 DBED Cn1nc(C(=O)N2CC[C@@H](N=c3cc[nH]cc3C#N)C2)ccc1=O 1056636619 YUZFOBJENBZCRY-GFCCVEGCSA-N 324.344 -0.205 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CCCN(C(=O)[C@H](C)NC(N)=O)[C@@H]2C1 1056651994 YRURENGPMRDZHT-FIQHERPVSA-N 321.381 -0.348 30 20 DBED C[C@@H](C(=O)N1CC[C@@H](N=c2cc[nH]c(C#N)n2)C1)S(C)(=O)=O 1056814555 RSFIFLQBLXSDCR-VHSXEESVSA-N 323.378 -0.784 30 20 DBED N#CCSCC(=O)N(CCO)CCNC(=O)[C@@H]1CCOC1 1057026664 HLDFASOTABDCIL-LLVKDONJSA-N 315.395 -0.783 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)c1cnn(C)c1N 1057439737 YTRPRHBYGLSDFG-UHFFFAOYSA-N 321.381 -0.644 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)c1cnc(O)n1C 1057445144 JMAOMMAOKGHUEA-UHFFFAOYSA-N 322.365 -0.520 30 20 DBED C=C[C@@](C)(O)CC(=O)N(CCO)CCNC(=O)C#CC1CC1 1057449643 FHRKOOPZPCNRJN-MRXNPFEDSA-N 308.378 -0.336 30 20 DBED C=C[C@@](C)(O)CC(=O)N(CCO)CCNC(=O)[C@H]1CCCO1 1057450397 PSQIZUAUPKPBSR-IUODEOHRSA-N 314.382 -0.570 30 20 DBED C[C@H]1OCC[C@@H]1C(=O)N(CCO)CCNC(=O)C#CC1CC1 1058552647 NZOITJMITREWJX-OCCSQVGLSA-N 308.378 -0.238 30 20 DBED C[C@H](C#N)C(=O)NCC[C@@H]1CCN(C(=O)CN2CCOCC2)C1 1059493278 MZEABBJZVBDIIM-ZIAGYGMSSA-N 322.409 -0.167 30 20 DBED CS(=O)(=O)CC(=O)N1CC[C@@H](CN=c2cc[nH]c(C#N)n2)C1 1060826201 UHAUUGRRGQNMPL-JTQLQIEISA-N 323.378 -0.925 30 20 DBED N#CCSCC(=O)N1CCC2(CC1)CN(C(=O)C(N)=O)C2 1061111551 CBYAVNLTGVKOAL-UHFFFAOYSA-N 310.379 -0.821 30 20 DBED N#CCSCC(=O)NC[C@H]1COCCN1C(=O)c1nc[nH]n1 1061321881 XBNWJLBZJSJMDL-VIFPVBQESA-N 324.366 -0.981 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCOC[C@@H]1CNC(=O)c1cc[nH]n1 1061331906 OTOHBAFKVNJBCG-RYUDHWBXSA-N 320.349 -0.595 30 20 DBED Cn1nncc1C(=O)NC[C@H]1CCCN1c1nccnc1C#N 1061353064 CRDJLBDEKUXDBY-SNVBAGLBSA-N 312.337 -0.124 30 20 DBED C=CCCC(=O)N1CCOC[C@H]1CNC(=O)C[C@@H]1CCNC1=O 1061640430 ZLJBTBVMZXGXKL-QWHCGFSZSA-N 323.393 -0.178 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)C1=COCCO1 1061845095 CLDBXGDZCLLVRI-GHMZBOCLSA-N 309.322 -0.622 30 20 DBED Cn1cc(C(=O)N[C@H]2[C@H]3C[C@H]2N(c2cncc(C#N)n2)C3)nn1 1064241739 HTZGSSMQICTQPF-KDDOJWQBSA-N 310.321 -0.516 30 20 DBED C#CCCCC(=O)N1CCO[C@H](CNC(=O)[C@@H]2COCCO2)C1 1065099562 LFBLTLPPAOXJOF-KGLIPLIRSA-N 324.377 -0.451 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCO[C@@H](CNC(=O)COC)C1 1065293274 ZEQYKUNYOTXAOL-KBPBESRZSA-N 323.393 -0.926 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)CCCC(N)=O)CCO1 1065305295 FYVKCVYQTUKXPG-ZDUSSCGKSA-N 323.393 -0.211 30 20 DBED C#CCOCCC(=O)N[C@H]1CCCN(C(=O)CNC(C)=O)CC1 1066169391 HXUYIEFJHGMTOV-AWEZNQCLSA-N 323.393 -0.340 30 20 DBED N#Cc1nccc(N2CCOC[C@H]2CNC(=O)c2cnon2)n1 1066496811 IBDFTFLNNVMJHS-SECBINFHSA-N 315.293 -0.634 30 20 DBED C#CCNC(=O)CC(=O)N(C)CCCN(C)C(=O)[C@H]1CCOC1 1066970830 WADGUBLZVNHKDU-ZDUSSCGKSA-N 323.393 -0.531 30 20 DBED N#Cc1cncc(N2C[C@H](CNC(=O)c3cocn3)[C@@H](O)C2)n1 1067657310 ZTMXDDGDHQOCOX-CABZTGNLSA-N 314.305 -0.437 30 20 DBED N#Cc1cncc(N2C[C@H](O)[C@H](CNC(=O)c3cc[nH]c3)C2)n1 1067696587 WBTOPPKMGRVWDZ-YPMHNXCESA-N 312.333 -0.097 30 20 DBED CCC(=O)NCC(=O)N1CC2(C[C@H](NC(=O)[C@@H](C)C#N)CO2)C1 1069003961 QUYNEYSMZVMQEQ-QWRGUYRKSA-N 322.365 -0.842 30 20 DBED CCNC(=O)CC(=O)N1CC2(C[C@@H](NC(=O)[C@H](C)C#N)CO2)C1 1069004663 YFCJEZLKEIBTSW-GHMZBOCLSA-N 322.365 -0.842 30 20 DBED CC(C)[C@@H](C(=O)N1C[C@H](n2ccnn2)[C@H](NCC#N)C1)N(C)C 1070213055 GIWQXSSOVARFFK-RDBSUJKOSA-N 319.413 -0.271 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)Cc2ncc[nH]2)CCOCC1 1070219441 PZBVYNXRZHASMR-NSHDSACASA-N 319.365 -0.107 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)c4cnn(C)c4N)C[C@@]3(C1)O2 1070790087 RKEYTMVEOMJMMU-HWWQOWPSSA-N 315.377 -0.449 30 20 DBED CC#CCN1C[C@H]2C[C@@H]3CN(C(=O)c4ncn(C)n4)C[C@@]3(C1)O2 1070795413 SUZDLXFZHNLMCE-XJKCOSOUSA-N 315.377 -0.246 30 20 DBED C#CCCN1C[C@@H](NC(=O)c2cn(CC(N)=O)nn2)CC[C@@H]1C 1072099349 PRIWSTBXFJVXOQ-RYUDHWBXSA-N 318.381 -0.631 30 20 DBED C=CCCOCC(=O)N1C[C@@H](NC(=O)c2nnn(C)n2)[C@H](C)C1 1072338865 IJYFMJOYCMRTNJ-GHMZBOCLSA-N 322.369 -0.621 30 20 DBED COC[C@@H](C)C(=O)N1CCN(C2CN(C(=O)[C@@H](C)C#N)C2)CC1 1073553432 XNOFZKLDWUFULT-QWHCGFSZSA-N 322.409 -0.216 30 20 DBED CC(C)N1C[C@H](C(=O)NC[C@@H]2CN(CC#N)CCCO2)CC1=O 1073623870 UNZYGUFFJYWJEC-ZIAGYGMSSA-N 322.409 -0.026 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H]1CN(CC#N)CCCO1 1073641810 BVQAGACFYIHNBT-GJZGRUSLSA-N 304.394 -0.185 30 20 DBED C=C(C)CN1CCCO[C@@H](CNC(=O)C2CC(=O)NC(=O)C2)C1 1073818214 CGKLLNPAFKAXDP-ZDUSSCGKSA-N 323.393 -0.178 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC(O)(CNC(=O)[C@@H](C)C#N)CC1 1074588786 SSJMAOYZCMKFJP-STQMWFEESA-N 321.377 -0.346 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)c2ccc3nn[nH]c3n2)C1 1077098426 ZHACXMYJJWYFCI-VXGBXAGGSA-N 300.322 -0.849 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)CC(=O)NC 1077124053 LNEQHOHPOULXNG-STQMWFEESA-N 322.409 -0.769 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCN(CC(F)(F)F)C2)C1 1077574234 KVKQNALNFUQUDJ-QJPTWQEYSA-N 319.327 -0.335 30 20 DBED C=CCN[C@H]1C[C@H]2CC[C@H]1N(C(=O)CN1CC(=O)NC1=O)C2 1079063983 KMZDCXYQCCRYQY-GRYCIOLGSA-N 306.366 -0.307 30 20 DBED C#CCCN1C[C@@H](NC(=O)c2cnc(O)n(C)c2=O)[C@H](C)C1 1080248633 BNLKIOISBLZMMF-ZYHUDNBSSA-N 304.350 -0.441 30 20 DBED C[C@H](C#N)C(=O)NC1(CO)CCN(C(=O)c2n[nH]cc2F)CC1 1080981365 CBTXYZGGXBBIPI-SECBINFHSA-N 323.328 -0.208 30 20 DBED N#CCSCC(=O)N1C[C@H](O)[C@H](CNC(=O)C2CCC2)C1 1081133429 MRAZMFOZQBDZDA-NEPJUHHUSA-N 311.407 -0.021 30 20 DBED N#CCSCC(=O)NC[C@H]1CN(C(=O)CC2CC2)C[C@@H]1O 1081286805 PPJDPPLUGVWALM-RYUDHWBXSA-N 311.407 -0.021 30 20 DBED N#CCSCC(=O)NC[C@@H]1CN(C(=O)CCCF)C[C@H]1O 1081289309 KNQQYHUYRWLHHM-GHMZBOCLSA-N 317.386 -0.072 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)c2cnns2)C[C@H]1O 1081440970 BQIAJBDQZKQNHF-GHMZBOCLSA-N 322.390 -0.109 30 20 DBED C#CCCCC(=O)N1C[C@H](CNC(=O)[C@@H]2[C@H]3COC[C@H]32)[C@@H](O)C1 1081671748 PRXYOYYITIBXGY-JHZZJYKESA-N 320.389 -0.382 30 20 DBED CC#CCN1C[C@@H](NC(=O)[C@H]2CCS(=O)(=O)C2)[C@H](OC)C1 1081914313 LWDCNFXBGPEVAY-YNEHKIRRSA-N 314.407 -0.740 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)Cc1ccn(C)n1 1083079714 NMJWVTQUUXILLL-LSDHHAIUSA-N 302.378 -0.103 30 20 DBED Cc1nc2cc(C(=O)N[C@@H]3CN(CC#N)C[C@@H]3O)cnc2[nH]1 1083514352 AIKBAUKHIAXTKY-NEPJUHHUSA-N 300.322 -0.435 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCCS2(=O)=O)C1 1084072878 AGWBNLYFUDIHMS-VWYCJHECSA-N 322.814 -0.523 30 20 DBED Cn1nnc(CN2CC[C@@H]3CN(C(=O)C#CC4CC4)[C@@H]3C2)n1 1084333986 JXVRSYARBSKATL-CHWSQXEVSA-N 300.366 -0.344 30 20 DBED CN(C[C@H]1CCN1[C@@H]1CCNC1=O)C(=O)c1cc(C#N)c[nH]1 1085534773 SLKOCVVYAPKMCB-DGCLKSJQSA-N 301.350 -0.079 30 20 DBED C=CCN[C@@H]1CN(C(=O)[C@@H]2COC(=O)N2)C[C@H]1c1cnn(C)c1 1086977085 CBQMZWNFAQAUCW-XQQFMLRXSA-N 319.365 -0.402 30 20 DBED CC#CCN1CC[C@@H]2CN(C(=O)CN3CC(=O)NC3=O)C[C@@H]2C1 1088142745 AGLLZUMLGJVLMU-OLZOCXBDSA-N 318.377 -0.658 30 20 DBED COC(=O)c1nccc(N2C[C@@H](O)[C@H](NC(=O)[C@@H](C)C#N)C2)n1 1090404385 NKZQBIAYMYQWTC-IVZWLZJFSA-N 319.321 -0.911 30 20 DBED COCC[C@H](C)C(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1O 1090428419 MIDFIMQQYMMVKE-CYZMBNFOSA-N 319.365 -0.313 30 20 DBED N#CCN1CC[C@H](NC(=O)Cn2cnc3c2CCCC3)[C@@H](O)C1 1090436315 PTDYVVNCTVLQGG-ZFWWWQNUSA-N 317.393 -0.163 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(c2cc(F)ncn2)C[C@H]1O 1090444963 AISPPQJNLWLCOW-GMTAPVOTSA-N 310.329 -0.128 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)c2cnc(O)n(C)c2=O)[C@H](O)C1 1090487759 ZLDUNWWLCBQMRE-VXGBXAGGSA-N 322.365 -0.773 30 20 DBED C=CCN1CC[C@@H](NC(=O)C2(N3CCOCC3)CCC2)[C@H](O)C1 1090685645 JYIGAMKKQJJMSE-HUUCEWRRSA-N 323.437 -0.021 30 20 DBED C#CCCN1CC[C@H](NC(=O)Cn2nc(C)ccc2=O)[C@H](O)C1 1090745543 BJAJZCOVBNMYKJ-UONOGXRCSA-N 318.377 -0.874 30 20 DBED C=CCCN1CC[C@@H](NC(=O)c2cn(C)c(=O)nc2O)[C@H](O)C1 1090805671 PIKOIROXJUBZAZ-VXGBXAGGSA-N 322.365 -0.773 30 20 DBED N#Cc1cncc(N2C[C@H](O)[C@H](NC(=O)CC3(O)CCC3)C2)n1 1091097412 GLGGTIGNGLPMHK-NEPJUHHUSA-N 317.349 -0.681 30 20 DBED CNC(=O)NCC(=O)N[C@H]1CCN(c2ccc(C#N)cn2)[C@@H]1C 1092058274 ZTBVZRBGMRYDQA-PWSUYJOCSA-N 316.365 -0.034 30 20 DBED C#CCOCCC(=O)N[C@H]1CCN(c2ccc(C)nn2)C[C@@H]1O 1092164922 QOQUCBFIUUTHNN-KBPBESRZSA-N 318.377 -0.119 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)c3ccc(O)nn3)c3nccn32)C1 1092345339 ZPHBGPPTUWXLLE-GFCCVEGCSA-N 324.344 -0.102 30 20 DBED CC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cnc(C#N)cn1 1092934613 AHVYWNBYRPFVNI-UPJWGTAASA-N 314.349 -0.290 30 20 DBED C=CCCN1C[C@@H](C)[C@H](CNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 1093011859 OULOWFRDIKZGHE-UTUOFQBUSA-N 308.382 -0.155 30 20 DBED N#Cc1cnc(N2C[C@H]3[C@H](NC(=O)CNC(N)=O)[C@H]3C2)c(F)c1 1093212056 YVZVLEFJLJUCSK-GDGBQDQQSA-N 318.312 -0.689 30 20 DBED N#Cc1c[nH]ccc1=NCCNC(=O)C[C@@H]1CCCC(=O)N1 1094259916 ZLUXGSOUKCCYBD-LBPRGKRZSA-N 301.350 -0.038 30 20 DBED C#CCCN1CC(n2cc(CNC(=O)c3cnn(C)n3)nn2)C1 1094326553 JNUYZLKUVCADKU-UHFFFAOYSA-N 314.353 -0.783 30 20 DBED C=C(Cl)CN1CC(n2cc(CNC(=O)c3nc[nH]n3)nn2)C1 1094327022 YUBGMFUFJYAPKD-UHFFFAOYSA-N 322.760 -0.065 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2CC(=O)N(C3CN(CCF)C3)C2)[nH]1 1094727828 OSJYKSZYCRMJFP-NSHDSACASA-N 319.340 -0.129 30 20 DBED COCC(=O)N(C)CC(=O)NCCCNc1ccc(C#N)nc1 1094849503 HJNHPTDODZZSCZ-UHFFFAOYSA-N 319.365 -0.024 30 20 DBED CC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN1CCNC(=O)C1 1095865595 JOGQLDRHDRBRCA-RDBSUJKOSA-N 304.394 -0.837 30 20 DBED COC(=O)NCC(=O)N1CC[C@H](N=c2cc[nH]cc2C#N)C1 1096920726 DCSGURJFIAGDNF-NSHDSACASA-N 303.322 -0.256 30 20 DBED Cc1nc(N[C@H]2C[C@H](NC(=O)CNC(N)=O)C2)ccc1C#N 1096983434 BSVRGOFBYWXMNJ-XYPYZODXSA-N 302.338 -0.011 30 20 DBED C[C@@H](CNC(=O)c1cnn(C)c1N)Nc1ccc(C#N)nn1 1097762000 AQLCQCSGGBUWRE-QMMMGPOBSA-N 300.326 -0.106 30 20 DBED Cc1cc(C#N)nc(N[C@@H](C)CNC(=O)[C@@H]2CCC(=O)N2)n1 1097978251 SSMVEAAUGKFEIH-ONGXEEELSA-N 302.338 -0.148 30 20 DBED C[C@H](CNC(=O)[C@@H]1CC(=O)N(C)C1)Nc1nccnc1C#N 1098346615 SAWBUKHDYFTEPF-NXEZZACHSA-N 302.338 -0.257 30 20 DBED C#CCCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H]1COCCN1C(C)=O 1098441912 ZRCLTYUWPHSWST-LVQVYYBASA-N 319.405 -0.022 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](n2cc(CNCC)nn2)C1 1098661054 BQQUGOVATXSIOR-ZDUSSCGKSA-N 318.381 -0.700 30 20 DBED Cc1nn(C)cc1CCC(=O)N[C@H]1CCN(CC#N)C[C@H]1O 1100024291 HBIKCGAWOXGPIH-UONOGXRCSA-N 305.382 -0.264 30 20 DBED CC(C)(CS(C)(=O)=O)C(=O)N[C@H]1CCN(CC#N)C[C@@H]1O 1100136597 PIAFNKWEVARLNQ-QWRGUYRKSA-N 317.411 -0.868 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CCN(c2ncnc3c2nnn3C)C1 1100949695 FXCBFBKGWMQHSQ-UWVGGRQHSA-N 314.353 -0.140 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CC(CNC(=O)CN(C)C(C)C)C1 1101037222 DJDPIAONUBWHPA-WLYUNCDWSA-N 322.453 -0.051 30 20 DBED CCNC(=O)CC(=O)N[C@H]1CC2(CN(CC#N)C2)n2ccnc21 1101624044 NXECMDJIHXQMNE-NSHDSACASA-N 316.365 -0.495 30 20 DBED N#Cc1nc(=N[C@@H](CNC(=O)C(N)=O)c2ccccc2)cc[nH]1 1102176722 UXQXEZRVWQRPRW-NSHDSACASA-N 310.317 -0.475 30 20 DBED CC[C@H](CNC(=O)Cn1cnnn1)Nc1ncccc1C#N 1102968685 JYTSLAZHMBCMBB-LLVKDONJSA-N 300.326 -0.053 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H](CC)Nc1ccc2nnnn2n1 1103197620 FBZLXUCDSLEZST-GHMZBOCLSA-N 317.353 -0.136 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)Cc1ccn(C)n1 1103953067 PJJIJQUGZFMMKH-NSHDSACASA-N 313.365 -0.089 30 20 DBED C#CCNCc1cn(C2CN(C(=O)c3coc(OC)n3)C2)nn1 1105292512 SFNNKTQSNVIKCH-UHFFFAOYSA-N 316.321 -0.305 30 20 DBED CC[C@H](C(=O)NC[C@H](O)CNc1cnc(C#N)cn1)N(C)C 1105925871 INBQZEBPYKNKTM-VXGBXAGGSA-N 306.370 -0.423 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)CO[C@H]2CCOC2)nn1 1105972170 DJPYVATXHUSQHL-NEPJUHHUSA-N 321.337 -0.957 30 20 DBED COCC1(C(=O)NC[C@H](O)CN=c2cc(C)[nH]cc2C#N)CC1 1106022438 AVMAWOIWWYGGQD-CYBMUJFWSA-N 318.377 -0.001 30 20 DBED CN1CCCC[C@H]1C(=O)NC[C@H](O)CN=c1cc[nH]cc1C#N 1106057607 DHMICDZRDDDJSO-HIFRSBDPSA-N 317.393 -0.252 30 20 DBED C[C@@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)[C@@H](C)CC(N)=O 1106515963 OWUJNEGYRFHHRI-UWVGGRQHSA-N 304.354 -0.412 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)CC(=O)N(C)C)C[C@H]1C 1106742429 AUNGEIGPCVJRNB-ZIAGYGMSSA-N 309.410 -0.201 30 20 DBED C[C@@H](CC(=O)NC/C=C/CN=c1cc[nH]c(C#N)n1)NC(N)=O 1107351706 YINBDVDKSUHKNN-PBKGFPTLSA-N 317.353 -0.699 30 20 DBED N#Cc1ccc(NC/C=C\CNC(=O)[C@@H]2CCNC2=O)nn1 1107453623 ZMUMQQDIMADPGM-BVBSBALXSA-N 300.322 -0.431 30 20 DBED CCc1nc(C#N)cc(NC[C@@H](C)NC(=O)Cn2cnnn2)n1 1107635983 YJQKTGAHPQASTK-SECBINFHSA-N 315.341 -0.486 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)c2ccc3nn[nH]c3n2)C1 1107984684 ADNOVQWFRRBSQV-HNNXBMFYSA-N 314.349 -0.193 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)[C@H](C)S(C)(=O)=O)C1 1108028557 HTZUVXLDBFRIGK-WCQYABFASA-N 302.396 -0.740 30 20 DBED C#CCCN1CCO[C@@](C)(CNC(=O)c2ccc(C(N)=O)[nH]2)C1 1108219624 HDMZMCDDDWTLRI-INIZCTEOSA-N 318.377 -0.042 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)c2cnc(OC)nc2)C1 1108321499 YEYCHVUROUNUBC-OAHLLOKOSA-N 304.350 -0.061 30 20 DBED C#CCCN1CC(N2C[C@H](NC(=O)[C@@H](OC)C3CC3)CC2=O)C1 1108538508 JENPRSBJFUSZHP-CJNGLKHVSA-N 319.405 -0.164 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H]1CC(=O)N(C2CN(CC#CC)C2)C1 1108545861 HNHVIIVPSIBJOB-KGLIPLIRSA-N 317.389 -0.551 30 20 DBED C[C@@H](CNc1ccc(C#N)nn1)NC(=O)[C@@H]1CCCNC1=O 1108570457 LYEDURXJAGHGHY-GXSJLCMTSA-N 302.338 -0.209 30 20 DBED COC[C@H](C)CC(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1 1108583763 RTXFYEIFVBEFNA-NEPJUHHUSA-N 308.382 -0.416 30 20 DBED C=CCNC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CC(=O)NC 1109194631 VIPHERNZMJZLPE-NDBYEHHHSA-N 322.409 -0.465 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCN([C@H](C)C(=O)NC(N)=O)CC1 1112804814 SEJSVIDXBRNKQM-YGRLFVJLSA-N 312.370 -0.959 30 20 DBED COCC#CCN1CCN(C(=O)CC(=O)NCC2CC2)CC1 1113516455 ZGMCZOWWGZEEBJ-UHFFFAOYSA-N 307.394 -0.303 30 20 DBED C=CCN1CC[C@H](N2C[C@H]3[C@H](NC(=O)CCOC)[C@H]3C2)C1=O 1113771096 ZIHYLLAKCQNPGW-SFDCQRBFSA-N 307.394 -0.144 30 20 DBED C#CCOCCC(=O)NC1[C@@H]2CN(CCNC(=O)C3CC3)C[C@@H]12 1114268024 DQBRBDQHFDZSEY-ZIAGYGMSSA-N 319.405 -0.401 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)Cc3cnc(C)o3)[C@H]2C1 1114401497 RGLRSDWKKSXMHW-VIKVFOODSA-N 318.377 -0.126 30 20 DBED CN(C)C1(C(=O)NC2[C@H]3CN(CC(=O)NCC#N)C[C@H]23)CCC1 1114401596 UQUWGZVADIYKBJ-RYUDHWBXSA-N 319.409 -0.843 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)Cn3ccc(C)n3)[C@H]2C1 1114845696 DDJVEGQSVJIIQE-FOLVSLTJSA-N 302.378 -0.112 30 20 DBED C#CCCCCNC(=O)C(=O)NCc1nnnn1CC1CC1 1117374872 IJZQLLRIUWTSQM-UHFFFAOYSA-N 304.354 -0.381 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N1CCO[C@H](C(=O)OC)C1 1117964509 WLLYRQBRJCTFOO-NSHDSACASA-N 314.338 -0.952 30 20 DBED CCn1ccc(CNC(=O)C(=O)N2CC[C@](O)(CC#N)C2)n1 1118225558 IZPJECFWIWJYFM-CQSZACIVSA-N 305.338 -0.604 30 20 DBED Cn1cc(CC(=O)NC[C@@H](CO)N=c2cc[nH]cc2C#N)cn1 1121190084 IXFHELQCJLLKQC-ZDUSSCGKSA-N 314.349 -0.760 30 20 DBED CO[C@@H](C)CCC(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1 1121473410 XTTQHFPJURVHSQ-WDEREUQCSA-N 307.354 -0.526 30 20 DBED COC[C@@H](C)CC(=O)NC[C@H](CO)Nc1cncc(C#N)n1 1121985348 QTZABRFVOJNFSC-CMPLNLGQSA-N 307.354 -0.090 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H](CO)Nc1cc(C)nc(OC)n1 1122035210 FZWCGEXHAOBBHG-VXGBXAGGSA-N 322.365 -0.279 30 20 DBED C[C@H](CC(=O)NC[C@@H](CO)Nc1ncccc1C#N)NC(N)=O 1122071570 RBBDUENEVPXEFD-KOLCDFICSA-N 320.353 -0.711 30 20 DBED CO[C@]1(C(=O)OC2CCN(CC#N)CC2)CCS(=O)(=O)C1 1122736634 ADCAIFCDHTYQQV-CYBMUJFWSA-N 316.379 -0.279 30 20 DBED CN(C[C@H](O)CNc1cncc(C#N)n1)C(=O)C(C)(C)C(N)=O 1124554041 FFHAYGCOKAMKJM-SNVBAGLBSA-N 320.353 -0.909 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)c2cc(C)ncn2)C1=O 1125797470 BKPZLBHSLJILTE-GFCCVEGCSA-N 303.366 -0.109 30 20 DBED CC(C)(C)C#CC(=O)NCCNCC(=O)NC[C@@H]1CCOC1 1126915402 AUNILKGXRJWIGY-ZDUSSCGKSA-N 309.410 -0.106 30 20 DBED C#CCOCCC(=O)NCCNC[C@H]1CCS(=O)(=O)C1 1127031564 IIVVPHODLVSNEI-GFCCVEGCSA-N 302.396 -0.833 30 20 DBED C#CCN1CCn2ncc(CNC(=O)CNC(=O)OC)c2C1 1128224625 VAWCOEHHOGKOAG-UHFFFAOYSA-N 305.338 -0.696 30 20 DBED CC#CCN[C@@H]1CN(C(=O)[C@H](C)NC(C)=O)C[C@@H]1n1ccnn1 1129552696 COODVPFDBAYBNS-YUTCNCBUSA-N 318.381 -0.833 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1ccn2c1CCCC2 1129697276 KRDKTBGCAYFPQQ-UHFFFAOYSA-N 303.366 -0.216 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@H](CC(C)C)n1ccnc1 1130001197 GGSNYIFLRDQVFW-AWEZNQCLSA-N 319.409 -0.075 30 20 DBED C#CCN1CCOC[C@@H]1c1n[nH]c(CNC(=O)CCOCC)n1 1130831684 MRHRSXVKSGSPSN-GFCCVEGCSA-N 321.381 -0.146 30 20 DBED CCCN(C)CCC(=O)N1CCC(=O)NCCN(CC#N)CC1 1131395047 QRGCYYXMHCCHRD-UHFFFAOYSA-N 323.441 -0.108 30 20 DBED CC(=O)N(C)CC(=O)N[C@@H]1CC[C@@H](C)N(CC(=O)NCC#N)C1 1131830274 PCYLDPXHOAYPHV-DGCLKSJQSA-N 323.397 -0.926 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1occ2c1CCOC2 1131858247 PAKYWGZVQBAFNA-UHFFFAOYSA-N 305.334 -0.579 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CC[C@@H](C)N(Cc2cnon2)C1 1131979925 DQBDYYYWLLEBCH-VXGBXAGGSA-N 319.365 -0.322 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@H](C)Oc1cccnc1 1133625143 AEFJQDRTEQMPSV-STQMWFEESA-N 318.377 -0.307 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)CCc1cnn(C)n1 1133951102 PKAATRJCWATHSM-NSHDSACASA-N 308.386 -0.856 30 20 DBED C#CCNC(=O)CN1CCCO[C@@H](CNC(=O)C2CCC2)C1 1148941382 LXEODFVSLMESLL-AWEZNQCLSA-N 307.394 -0.257 30 20 DBED C[C@@]1(C(=O)NC[C@@H]2CN(CC#N)CCCO2)CCC(=O)NC1 1150160225 XPAWSHNFNNTBMA-IUODEOHRSA-N 308.382 -0.367 30 20 DBED C=CCNC(=O)CNCCNC(=O)CC[C@]1(C)CCC(=O)N1 1153911854 ZMEAVTLHGFSVLX-OAHLLOKOSA-N 310.398 -0.557 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@@H](C)N(CC)CC(N)=O 1155654596 UWBPXPIZVBZPRE-YPMHNXCESA-N 312.414 -0.231 30 20 DBED CCS(=O)(=O)NCCNCCCNC(=O)C#CC(C)C 1157638431 CDYVZBLWXPFCBT-UHFFFAOYSA-N 303.428 -0.319 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)[C@H](C(C)C)N(C)C 1160426497 GKOFUCZMTBNOCR-KBPBESRZSA-N 310.442 -0.194 30 20 DBED COCC1(CNC(=O)[C@@H](C)C#N)CCN([C@@H](C)C(N)=O)CC1 1162165827 ONMMLXSJVJNDTN-RYUDHWBXSA-N 310.398 -0.135 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)c1ccnc(OC)n1 1162317156 YDAGCVAIHHXQDI-LLVKDONJSA-N 321.381 -0.115 30 20 DBED Cc1nn(C)c(C)c1CC(=O)NCCCNCC(=O)NCC#N 1163536331 WDSVAIMNXTWVGX-UHFFFAOYSA-N 320.397 -0.685 30 20 DBED N#CCNC(=O)CNCCCNC(=O)[C@@H]1CCc2nc[nH]c2C1 1170432024 PXZNIUDABIGFLY-LLVKDONJSA-N 318.381 -0.750 30 20 DBED COCC#CCNCCCC[C@@H](C)NC(=O)c1nnn(C)n1 1174766036 MROXCUKXRKXDKQ-GFCCVEGCSA-N 308.386 -0.262 30 20 DBED C=CCOCCNCCCNC(=O)[C@H]1CN(C(C)=O)CCO1 1174987254 ATZREADYORVQNO-CQSZACIVSA-N 313.398 -0.468 30 20 DBED CNC(=O)CCCC(=O)N1CC[C@@H]2OCCN(CC#N)[C@H]2C1 1176995063 RUHZRZKINGINBZ-STQMWFEESA-N 308.382 -0.272 30 20 DBED C[C@H]1[C@@H](NCC(=O)NC(=O)NC2CC2)CCN1C(=O)[C@H](C)C#N 1178366822 PBROGKCZKWGPSL-SCVCMEIPSA-N 321.381 -0.287 30 20 DBED C[C@H]1[C@@H](NCC#N)CCN1C(=O)CCCn1c(O)nnc1O 1179032343 MHZQBHLXBQDMDR-UWVGGRQHSA-N 308.342 -0.428 30 20 DBED C#CCNCc1cn([C@@H]2CCCN(C(=O)CNC(C)=O)C2)nn1 1185856274 OWLNBHMQRIBTLF-CQSZACIVSA-N 318.381 -0.700 30 20 DBED C=CCn1cc(C(=O)N2CC[C@@H](N(C)CCOCCO)C2)nn1 1192723274 FPXZXCNKERMFPQ-CYBMUJFWSA-N 323.397 -0.381 30 20 DBED CC(C)[C@@H](C)NC(=O)CN1C[C@@H](O)[C@H](NC(=O)C#CC2CC2)C1 1192770162 GXZCFPOLBZDEEI-BPLDGKMQSA-N 321.421 -0.278 30 20 DBED C=CCOCCN(C)[C@@H]1CCN(C(=O)C[C@H]2CC(=O)NC2=O)C1 1194543704 GVBWHCXNKIJWSH-CHWSQXEVSA-N 323.393 -0.226 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)[C@@H]2[C@H]3COC[C@H]32)CC1 1196846670 HXJWTZYYFMHUJI-NHAGDIPZSA-N 307.394 -0.285 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)c2cnn(CCOCC)c2)C1 1197274047 NXMVXBKYZGNWEA-HUUCEWRRSA-N 320.393 -0.282 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)c2ncccn2)CC1 1197519179 HPHDPZYIHBHWGE-UHFFFAOYSA-N 303.366 -0.073 30 20 DBED C[C@@H](O)CN1C[C@@H](O)[C@H](NC(=O)CC#Cc2ccccc2)C1 1198944948 RMBBAMMJHGELAG-FVQBIDKESA-N 302.374 -0.030 30 20 DBED CNC(=O)NC(=O)[C@@H](C)NC1CCN(C(=O)C#CC2CC2)CC1 1200461797 KNVCTDYVTMKUGH-LLVKDONJSA-N 320.393 -0.176 30 20 DBED C=CCNC(=O)CN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)c1cnn[nH]1)C2 1204520527 RSMGJVLXAOQXEL-NQBHXWOUSA-N 318.381 -0.310 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(CCC[C@H](C)O)C[C@H]1C 1206887651 VLORUTOEJPJKCT-HZSPNIEDSA-N 309.410 -0.277 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H](NCC(=O)NC(=O)NC2CC2)C1 1207688778 SKWYSJBLHBYCRN-PWSUYJOCSA-N 321.381 -0.285 30 20 DBED CNC(=O)NC(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)C#CC2CC2)C1 1208009296 WTMWRZUPXNDRRP-DGCLKSJQSA-N 320.393 -0.176 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)[C@@H](C)CC(N)=O)[C@H](C)C1 1208301884 PUADJJZOEZIZHG-QJPTWQEYSA-N 310.398 -0.763 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)Cc2ncc[nH]2)[C@H](C)C1 1209713131 ACDBIJZMXFRUMG-VXGBXAGGSA-N 303.366 -0.862 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)c2ccn(CC)n2)C1 1209950282 DZAPTQPUUMABOM-CYBMUJFWSA-N 317.393 -0.153 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)CN(C)C(C)C)[C@H](C)C1 1211367615 XOCOKWFWEBCCIV-RBSFLKMASA-N 322.453 -0.099 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)c2cn[nH]c2)[C@H](OC)C1 1211906535 YQCYZOCXHAGIOZ-VXGBXAGGSA-N 307.354 -0.859 30 20 DBED COCC#CCN1C[C@@H](NC(=O)CN2CCC[C@H]2C)[C@H](OC)C1 1213438139 PVIWVQMFFKUICW-BZUAXINKSA-N 323.437 -0.064 30 20 DBED C[C@@H]1CN(C(=O)C[C@H]2CCOC2)C[C@H]1NCC(=O)NCC#N 1214372937 HOZYKLCDAVCZFJ-JHJVBQTASA-N 308.382 -0.511 30 20 DBED COCC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CC(C)(C)O 1217729491 CQBYYAWNHVTZAB-UONOGXRCSA-N 310.394 -0.291 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)c2cncc(F)c2)C1 1219447975 LKJAQPLUPNAJDF-KGLIPLIRSA-N 307.325 -0.355 30 20 DBED COCCOCCN1C[C@H](O)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 1219476191 RMCYVRSJZAWAAB-KGLIPLIRSA-N 322.365 -0.676 30 20 DBED CCN1CC[C@H](N2C[C@H](O)[C@H](NC(=O)C#CC(C)C)C2)C1=O 1219587325 ANPSZJDHIIRRMU-RDBSUJKOSA-N 307.394 -0.572 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCCC23CC3)C1 1219866875 CRQRIENRBOLZRY-MJBXVCDLSA-N 319.405 -0.523 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@H](NC(C)=O)C2CCCC2)C1 1219975518 METDUIDHACETST-OWCLPIDISA-N 321.421 -0.134 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC(NC(=O)[C@H]2CCOC2)CC1 1226395353 UXJPPFKGEZMCQJ-OLZOCXBDSA-N 307.394 -0.259 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)[C@H](C)CC(N)=O)CC1 1228569663 VCBTYQMIAYSYCG-LLVKDONJSA-N 310.398 -0.619 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)C[C@](C)(O)C1CC1 1233778906 BIUCUMPXPZWQSU-PBHICJAKSA-N 321.421 -0.180 30 20 DBED CN(C)CCN(C)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1252503805 WASRJVYXCUZZBY-OUKQBFOZSA-N 309.370 -0.284 30 20 DBED CC[C@@H]1[C@@H](C(=O)NCC[C@H](C)NCC(=O)NCC#N)CCN1C 1274720186 RJTHUEWCLFYBTF-MELADBBJSA-N 323.441 -0.159 30 20 DBED Cc1cc(NC(=O)C(=O)N[C@H](CO)C2CC2)n(CCC#N)n1 1319558033 LGMYBDJCPUNWMH-LLVKDONJSA-N 305.338 -0.069 30 20 DBED C=C[C@H](COC)NC(=O)NC[C@H]1CCCN1S(C)(=O)=O 1320970278 KCTFPDNBSAIENF-GHMZBOCLSA-N 305.400 -0.089 30 20 DBED N#CCn1cc(NC(=O)C(=O)NCCNc2ccccn2)cn1 1324205045 IZJVPEYVMDAXQJ-UHFFFAOYSA-N 313.321 -0.032 30 20 DBED COC(=O)[C@H]1C[C@H](O)CN(C(=O)C(=O)NCC2(CC#N)CC2)C1 1326127615 KPLUOOHBUUKONY-QWRGUYRKSA-N 323.349 -0.821 30 20 DBED N#CCCC[C@H](N)C(=O)N[C@H]1CCN(CCN2CCOCC2)C1 1327181585 SMMHXCRCDGLNOY-GJZGRUSLSA-N 323.441 -0.470 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N1C[C@H](C)[C@@](C)(CO)C1 1327473428 NXOUWIMXAYODEV-XJKSGUPXSA-N 310.394 -0.038 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CCC[C@H]2CCO)nn1 1328107271 LHVRXSAKTMQXJX-LBPRGKRZSA-N 307.354 -0.546 30 20 DBED CCNC(=O)NCCNC(=O)CCN/C(O)=C1/N=CC=CC1=O 1330461600 UKWAKRWIKLKFTG-SEYXRHQNSA-N 323.353 -0.662 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)C(=O)N2CCc3c[nH]nc3C2)C1 1332378050 YCYXVMRMFHCNDH-CQSZACIVSA-N 303.322 -0.829 30 20 DBED C=CCCSCCn1nnnc1N1CCO[C@@H](C(N)=O)C1 1335021789 UMPSAYQSGQRECP-SNVBAGLBSA-N 312.399 -0.327 30 20 DBED COCCNC(=O)[C@@H](C#N)C(=O)[C@H]1CCc2nnn(C)c2C1 1343476285 BVAAWZOHIWKQSZ-UWVGGRQHSA-N 305.338 -0.609 30 20 DBED C[C@H]1C[C@@H](CNC(=O)C(=O)N2CCN(CCC#N)CC2)CCO1 1352610697 YJOHLUWORSIVTA-KBPBESRZSA-N 322.409 -0.024 30 20 DBED Cc1cc(NC(=O)CN2CCN(C(=O)[C@@H](C)C#N)CC2)n(C)n1 1364942399 XUKIJOBKFXBHQA-NSHDSACASA-N 318.381 -0.029 30 20 DBED C[C@@H](CNC(=O)[C@@H](C)C#N)NC(=O)c1nc2ncccn2n1 1373061907 GSHZPHLPBCTATJ-IUCAKERBSA-N 301.310 -0.482 30 20 DBED COCCn1cc(C(=O)NC[C@@H](C)N(C)C(=O)[C@H](C)C#N)nn1 1382974659 NSEUNYFAUKDHAA-GHMZBOCLSA-N 322.369 -0.339 30 20 DBED C[C@@H](C#N)C(=O)N(C)C1CCN(C(=O)CCNC(N)=O)CC1 1383521903 MKMSOLWXGYOSSE-JTQLQIEISA-N 309.370 -0.346 30 20 DBED N#Cc1cc(C(=O)NC[C@H](O)CNC(=O)c2cccnc2)c[nH]1 1399770633 TYRRJUFFVNYCBI-CYBMUJFWSA-N 313.317 -0.198 30 20 DBED Cc1noc(CNC[C@H](O)CN(C)C(=O)c2cc(C#N)c[nH]2)n1 1423437622 UWFOKDYBEKLFFI-NSHDSACASA-N 318.337 -0.200 30 20 DBED CC(=O)N1CC(C(=O)N(CCNC(=O)[C@@H](C)C#N)C2CC2)C1 1429944338 MBZZQCDOSTZTTA-JTQLQIEISA-N 306.366 -0.268 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1C[C@@H](NC(=O)c2cn(C)c(=O)n2C)C1 1445957379 NOGDWISPNDMOPI-GARJFASQSA-N 319.365 -0.492 30 20 DBED C[C@H](C#N)C(=O)NCC1CCN(C(=O)C2(NC(N)=O)CC2)CC1 1453825035 XQEGLQNZXHAMAT-SNVBAGLBSA-N 321.381 -0.298 30 20 DBED C[C@H](C(=O)NCc1cc(=O)c(O)cn1C)n1cnc(C#N)n1 1469566958 GLGCOFWOGDXGCJ-MRVPVSSYSA-N 302.294 -0.569 30 20 DBED C=CCN1CC[C@H](N[C@@H](C)CCNC(=O)c2cnn(C)n2)C1=O 1485000128 FJOIENRMLGYRMX-RYUDHWBXSA-N 320.397 -0.300 30 20 DBED Cn1cc(CNC[C@@H](O)CNC(=O)c2cc(C#N)c[nH]2)cn1 1496958629 BUKVLHQHTCWQJK-GFCCVEGCSA-N 302.338 -0.500 30 20 DBED C[C@H](C#N)C(=O)NC1CN(C(=O)Cc2nc3ncccn3n2)C1 1498384406 XNIWNHDRTLJZCK-SECBINFHSA-N 313.321 -0.847 30 20 DBED CC(C)[C@@H](CNC(=O)CS(C)(=O)=O)NC(=O)[C@@H](C)C#N 1500760728 MZLTZSFIGQRODE-VHSXEESVSA-N 303.384 -0.552 30 20 DBED C[C@H](C#N)C(=O)NCCN1CCN(C(=O)C2CCOCC2)CC1 1524094851 PMOYHHLWLYWYPI-CYBMUJFWSA-N 322.409 -0.167 30 20 DBED CN(Cc1nnc2n1CCC2)c1cnc(-c2nn[nH]n2)c(C#N)n1 1579265287 CPMGPBSVSKSXRD-UHFFFAOYSA-N 323.324 -0.298 30 20 DBED C=C(C)C(C)(C)C(=O)NCC1(O)CN(C(=O)[C@H]2C[C@H]2C(=O)O)C1 1588530141 RLLSBFPTSNAQJU-WDEREUQCSA-N 324.377 -0.001 30 20 DBED C=CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)cn1 1588545444 HAFBFJSGVFXSPD-VIFPVBQESA-N 317.309 -0.747 30 20 DBED C=C(CCC(=O)O)C(=O)NCc1nc(CS(C)(=O)=O)n[nH]1 1588630025 ASDAHLWRBWMEQE-UHFFFAOYSA-N 316.339 -0.614 30 20 DBED C[C@H](C(=O)N[C@@]1(CC(=O)O)CCCOC1)n1cnc(C#N)n1 1589391699 QZTRDLBEGQNAAO-NOZJJQNGSA-N 307.310 -0.149 30 20 DBED C[C@H](CNC(=O)[C@H](C)C#N)Nc1cnc(-c2nn[nH]n2)cn1 1589849449 FOCWANFYMUXGJZ-HTQZYQBOSA-N 301.314 -0.267 30 20 DBED COC(=O)N1CC(Nc2cnc(C#N)c(-c3nn[nH]n3)n2)C1 1591272817 QAFMCKFDMSTCGM-UHFFFAOYSA-N 301.270 -0.609 30 20 DBED N#CCC1(O)CN(Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 1592674057 ZAJMHKFYPWYMJD-UHFFFAOYSA-N 310.321 -0.025 30 20 DBED C[C@@]1(C(=O)O)CCCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)C1 1604496937 YPCQCKONHPBEHG-CMPLNLGQSA-N 317.367 -0.358 30 20 DBED COC(=O)[C@@H](CC(=O)O)NS(=O)(=O)c1ccc(C#N)s1 1606325862 QDOJYHICYQRXLM-SSDOTTSWSA-N 318.332 -0.086 30 20 DBED N#CCC1(O)CN(S(=O)(=O)c2cccc(CC(=O)O)c2)C1 1608180879 ACTQWXPNMAZTRR-UHFFFAOYSA-N 310.331 -0.037 30 20 DBED C#CC[C@H](NC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)C(=O)O 1609076694 UZLYQYXCJJSKIZ-DTWKUNHWSA-N 304.368 -0.457 30 20 DBED C[C@H](C(=O)N1CCC([C@H](O)C(=O)O)CC1)n1cnc(C#N)n1 1609633180 TWBITQWLSKVMQF-KCJUWKMLSA-N 307.310 -0.605 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)c2sccc2S(N)(=O)=O)C1 1649902765 WUAAOBSAWOEOAV-LLVKDONJSA-N 315.376 -0.114 30 20 DBED C#CCOCCC(=O)N1CC[C@H](N[C@H](C)C(=O)NC2CC2)C1 1690665045 XTZXQTRFGOZFGF-OCCSQVGLSA-N 307.394 -0.116 30 20 DBED C#CCOCCC(=O)N1CC[C@H](N[C@H]2CCCN(C)C2=O)C1 1714324080 CYSUSESFBZAIOC-KBPBESRZSA-N 307.394 -0.162 30 20 DBED C=CCNC(=O)CNC[C@H]1CCCN1C(=O)[C@@H]1CCC(=O)NC1 1732327640 SDUPVJBHPHZDEL-CHWSQXEVSA-N 322.409 -0.605 30 20 DBED CC(C)C#CC(=O)NCCN1CCN(CCn2cncn2)CC1 1752365271 WLHCHMWZKZZUBD-UHFFFAOYSA-N 318.425 -0.329 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](O)C(C)C 1752535020 VWGBTKXVMLHLBB-VNHYZAJKSA-N 307.394 -0.572 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2cnc3n2CCC3)C1 1752576653 YDMQGIXRYNUPGP-LBPRGKRZSA-N 315.377 -0.617 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@@H](NC(=O)c2c(C)ncnc2O)C1 1752754046 MDZTWTZOWJIKRH-PHIMTYICSA-N 317.349 -0.910 30 20 DBED C=CCN1CC[C@@H](N[C@H](C)CCNC(=O)c2cnn[nH]2)C1=O 1753008527 FJUNXRZMWQIIKU-GHMZBOCLSA-N 306.370 -0.310 30 20 DBED C#CCNC(=O)CN(CCNC(=O)c1csc(O)n1)C1CC1 1753158974 CJOIZWQJVNOUNB-UHFFFAOYSA-N 322.390 -0.208 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)N(C)CCNCC(=O)N(C)C 1753241601 BVDFTDGBYCRVEF-ZDUSSCGKSA-N 312.414 -0.407 30 20 DBED CCc1cncc(C(=O)NCC2CN(CC(=O)NCC#N)C2)c1 1753406649 DHPRLHJVKHMVPJ-UHFFFAOYSA-N 315.377 -0.055 30 20 DBED C#CCNC(=O)CNC[C@@](C)(NC(=O)c1cn[nH]c1)C1CC1 1753515133 VDQCIZFFNUYVGR-OAHLLOKOSA-N 303.366 -0.353 30 20 DBED C#CCNC(=O)CNC[C@H]1[C@H](C)CCCN1C(=O)CCOC 1753803627 PLOVPWCQZWZFMU-KGLIPLIRSA-N 309.410 -0.011 30 20 DBED C#CCNC(=O)CN[C@H](CNC(=O)c1cncnc1C)C(C)C 1753825470 WQTAMJTVINBSLI-CQSZACIVSA-N 317.393 -0.122 30 20 DBED CC(C)[C@@H](CNC(=O)c1ncccn1)NCC(=O)NCC#N 1753843115 QFPIFMQXECVGLW-LLVKDONJSA-N 304.354 -0.540 30 20 DBED C=C(C)CCN(C)C[C@H](C)NC(=O)CN1C(=O)C(=O)N(C)C1=O 1754326826 RSWMQJIBXHZMFM-NSHDSACASA-N 324.381 -0.190 30 20 DBED C#CCN1CCC(C)(CNC(=O)[C@H](C)NS(C)(=O)=O)CC1 1754720964 XJPYEQXNYBARRX-LBPRGKRZSA-N 315.439 -0.224 30 20 DBED C#CCNCC[C@H]1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)C1 1754933921 FCOODPCOFFTBOZ-LBPRGKRZSA-N 318.377 -0.841 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H]1COCCN1Cc1nonc1C 1754967439 IIMCZFAWIJCWJR-QWHCGFSZSA-N 322.365 -0.267 30 20 DBED CCCC[C@@H](CNCC#N)NC(=O)c1cn(C)c(=O)n(C)c1=O 1755361601 WLIZLEWWFVTCSE-NSHDSACASA-N 321.381 -0.514 30 20 DBED C#CCNC(=O)CN[C@@H]1C[C@@H](C)N(C(=O)Cn2ccnc2C)C1 1755692442 LEPMWDDVNGXPMC-TZMCWYRMSA-N 317.393 -0.480 30 20 DBED C#CCCNC[C@H](O)CN(C)C(=O)[C@]1(C)CCN(C(C)=O)C1 1755791328 KVTSHIUAZGWKQL-GOEBONIOSA-N 309.410 -0.323 30 20 DBED COCC#CCN1CCC([C@H](C)NC(=O)[C@@H]2CNC(=O)N2)CC1 1755847730 HPTIRPAAQUKKAA-JSGCOSHPSA-N 322.409 -0.466 30 20 DBED C#CCNC(=O)CNC1CC(N(C)C(=O)c2c[nH]c(C#N)c2)C1 1755855183 IGKCKSJJKBITAX-UHFFFAOYSA-N 313.361 -0.172 30 20 DBED C#CCOCCC(=O)N1CC([C@@H](C)NC(=O)[C@@H]2COC(=O)N2)C1 1756140157 GTMDMLHDEGUNQX-PWSUYJOCSA-N 323.349 -0.902 30 20 DBED C=CCOCC(=O)NC[C@@H](O)CN(C)C(=O)c1cnc(C)[nH]1 1756656701 RXOUWVLVCLMETP-LLVKDONJSA-N 310.354 -0.530 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1O 1757161404 AWUFJMJSOWELQE-OLZOCXBDSA-N 318.333 -0.610 30 20 DBED CNC(=O)CNC(=S)NN=C(C)c1cncc(C(=O)O)c1 1776042328 FWLUFVZQSUFQLO-UHFFFAOYSA-N 309.351 -0.286 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)/C=C(\C)NC(C)=O)CCO2 1783055637 ZGCDWGAPHLVQDS-ONOODXEBSA-N 319.361 -0.511 30 20 DBED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cn(C)cn3)[C@H]2C1 1786200120 AGTUYMDBTMMMOC-OBJOEFQTSA-N 316.361 -0.353 30 20 DBED C[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CC1 1795413140 QWMJVDXFVDDULO-YFKTTZPYSA-N 307.350 -0.739 30 20 DBED C=CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1[nH]nnc1C)C2 1800997940 BEYFIOKEGDPAAR-GNXNZQSNSA-N 319.365 -0.108 30 20 DBED C#CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](N)CN)n[nH]1 1818016393 NJJNNJYISZMHNY-GXSJLCMTSA-N 304.354 -0.679 30 20 DBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCCO1)CCO2 1836224749 JLZUHCCURDAMGN-CJNGLKHVSA-N 322.361 -0.745 30 20 DBED C#CCNC(=O)COC(=O)CNS(=O)(=O)c1cccs1 106035518 AVLBSJJLMVFKQW-UHFFFAOYSA-N 316.360 -0.681 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H](CC)CCO)C1=O 268637693 NGGDVPXKHWLJEC-SNVBAGLBSA-N 311.338 -0.512 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@H](C)c1nc[nH]n1 281859955 ZNZSPFCRTULTGO-SECBINFHSA-N 302.360 -0.438 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCCC[C@@H]2CCN)C1=O 286105041 NUBNMKIPUWSBCQ-LLVKDONJSA-N 322.365 -0.307 30 20 DBED Cn1cnn(C/C(O)=N/C[C@H]2CCCCS2(=O)=O)c1=O 329661576 PAABXKDKAVGOBV-SECBINFHSA-N 302.356 -0.494 30 20 DBED C[C@H]1CS(=O)(=O)C[C@H]1N/C(O)=N/CCN1CCN=C(O)C1 329675192 UHCDXSDWDKVGME-VHSXEESVSA-N 318.399 -0.805 30 20 DBED COCCN1CCC(/N=C(/O)N2CCO[C@H](CO)C2)CC1 331200918 VIQFNIHYFVJBLR-ZDUSSCGKSA-N 301.387 -0.296 30 20 DBED COCCO[C@@H]1CCN(/C(O)=N/C[C@H]2CN(C)CCN2C)C1 331236326 UHVIGFHKAJJCBQ-UONOGXRCSA-N 314.430 -0.117 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC[C@]2(C)CCOC2)C1=O 348025156 SZSXRLPBEPXGPF-LRDDRELGSA-N 323.393 -0.226 30 20 DBED Cn1cc(S(=O)(=O)Nc2c(C#N)cnn2C)cc1C(N)=O 354124455 KUADMNXFNPRFBR-UHFFFAOYSA-N 308.323 -0.470 30 20 DBED Cc1nc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)n[nH]1 354714813 PASQBCPHEVVZJK-UHFFFAOYSA-N 320.334 -0.098 30 20 DBED COc1cc(C#N)ccc1OCC(=O)NCC(=O)NCCO 356513276 JEJZEVNTDMTAQU-UHFFFAOYSA-N 307.306 -0.830 30 20 DBED COC(=O)c1cc(C#N)c(=O)n([C@H](C)C(=O)NCC(C)=O)c1 358856803 LKVJYNMRAOXIPW-SECBINFHSA-N 305.290 -0.227 30 20 DBED CC(C)n1cc(C#N)c(NC(=O)C(=O)N[C@H]2CC(=O)N(C)C2)n1 359360747 MUBNYRJTHHZLAL-JTQLQIEISA-N 318.337 -0.379 30 20 DBED C=CCN(CCOC)C(=O)CN1C(=O)C(=O)N(CC=C)C1=O 361075831 KHTWPZNSJODVBH-UHFFFAOYSA-N 309.322 -0.376 30 20 DBED CC1(C)CN(C(=O)CNc2ccc(C#N)cn2)C[C@H](CO)O1 421931417 HOICTHTYSNBHRI-GFCCVEGCSA-N 304.350 0.363 30 20 DBED N#CCCC[C@@H](N)C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 424073683 FXCZRLRXWMPTDG-OLZOCXBDSA-N 308.382 -0.143 30 20 DBED CN(C)C[C@H](O)CNC(=O)C(=O)Nc1ccc(C#N)cc1F 433532623 HCTOQLGAUDZIBG-SNVBAGLBSA-N 308.313 -0.325 30 20 DBED C#CCN1CCN(C(=O)CN2CCN(CCOC)CC2)CC1 490778349 DYBNMZIPZRGTQN-UHFFFAOYSA-N 308.426 -0.972 30 20 DBED C#CCNC(=O)CCNCc1ccc(S(N)(=O)=O)cc1C 491697260 PPRKDLXYUBVMQI-UHFFFAOYSA-N 309.391 -0.128 30 20 DBED C#C[C@@H](NC(=O)N1CCN(CC(=O)NCCOC)CC1)C(C)C 491819162 MVZJSABGPJLNQX-CQSZACIVSA-N 324.425 -0.266 30 20 DBED N#CCC1(O)CN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)C1 525894675 ONTWWCCFPNUMBR-UHFFFAOYSA-N 323.330 -0.333 30 20 DBED CCN1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)[C@H](C)C1=O 547965358 NHWYKGFHRQPBLM-SECBINFHSA-N 305.338 -0.987 30 20 DBED C=C(C)Cn1c(CC)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 549698069 FCWQLAYCIAHBTC-LLVKDONJSA-N 318.381 -0.436 30 20 DBED COC(=O)[C@H](CC(C)C)NC(=O)CN=c1nc[nH]cc1C#N 564893883 PQWSMXSGVLERSE-NSHDSACASA-N 305.338 -0.114 30 20 DBED COC(=O)[C@H](CO)NC[C@H](O)COc1ccc(CC#N)cc1 571522552 ALYQXEYIYTZGEY-JSGCOSHPSA-N 308.334 -0.384 30 20 DBED CCN(CCC#N)C(=O)CN1[C@H]2C[C@H]3[C@H]([C@@H]2O)[C@@H]2C[C@H]3[C@@H](O)[C@@H]21 581432969 RAAIAGMXMIGHNB-LIUWOJGHSA-N 319.405 -0.191 30 20 DBED C=CCNS(=O)(=O)c1cccc(C(=O)NCc2nn[nH]n2)c1 599334060 BLPHVDIQEXAUMO-UHFFFAOYSA-N 322.350 -0.406 30 20 DBED CN1CC[C@@H](C(=O)N(CCC#N)CCN2CCOCC2)C1=O 614266384 LXTDIYRZTLPHMN-CYBMUJFWSA-N 308.382 -0.461 30 20 DBED Cc1cc(=NC(=O)N=c2ccn(CC(N)=O)[nH]2)[nH]n1CCC#N 615029304 FKQBTPLGQLIJRN-UHFFFAOYSA-N 316.325 -0.725 30 20 DBED C=C(CNC(=O)c1nc(C)no1)CNC(=O)c1nc(C)no1 620749655 IEKKEMJIVZUIPZ-UHFFFAOYSA-N 306.282 -0.215 30 20 DBED C=CC[C@@H]1CCCN(C(=O)C(=O)NCCN2CCNCC2)C1 659710133 NASNDXAQYAIWDI-CQSZACIVSA-N 308.426 -0.178 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)OCC(=O)NC(N)=O)cc1 727007121 BEPXDRRDEZPGQD-UHFFFAOYSA-N 304.262 -0.974 30 20 DBED CNC(=O)CNC(=S)NN=Cc1ccc(OCC(N)=O)cc1 731927230 CMXKIDRIEZILLY-UHFFFAOYSA-N 323.378 -0.905 30 20 DBED CN(C)CCN1C[C@H](C(=O)Nc2cnn(CC#N)c2)CC1=O 746184236 UDLJOOPBKGSTIR-LLVKDONJSA-N 304.354 -0.245 30 20 DBED COC(=O)CN(CC#N)S(=O)(=O)c1cccc2nonc12 765186300 NLMPBGNEXJYACS-UHFFFAOYSA-N 310.291 -0.090 30 20 DBED CCS(=O)(=O)CCN(C)S(=O)(=O)N(C)C[C@@H](C)C#N 800096660 YVGHERHZGVIDSF-JTQLQIEISA-N 311.429 -0.311 30 20 DBED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)[C@@H]2CCNC2=O)C1 832161609 ASAMVSZXYYSDQA-AXFHLTTASA-N 322.365 -0.002 30 20 DBED C#CCN1CCN(C(=O)C2=C(C)N(C)c3nnnn3[C@H]2C)CC1 847488948 HMQDVSIBPDNBHF-LBPRGKRZSA-N 315.381 -0.265 30 20 DBED C#CC[C@H](CO)NC(=O)NC[C@H]1CCCN1S(C)(=O)=O 921624928 XCMYCMKHNBOOCT-GHMZBOCLSA-N 303.384 -0.906 30 20 DBED C=CCN(C(=O)[C@@H]1CSCC(=O)N1)[C@H]1CCS(=O)(=O)C1 930380292 UEXCRJIRVBXFMG-UWVGGRQHSA-N 318.420 -0.580 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](NC(=O)[C@H]2CNC(=O)N2)[C@H](OC)C1 946485320 HPRCWTDNWGSKAA-GMTAPVOTSA-N 324.381 -0.778 30 20 DBED CC#CCN1CCC2(CC1)CN(C(=O)[C@H]1COC(=O)N1)CCO2 949084011 WZNZIBXRFULMOA-CYBMUJFWSA-N 321.377 -0.189 30 20 DBED C[C@@H](NC(=O)c1cc(C#N)c[nH]1)[C@@H]1CCCCN1C(=O)C(N)=O 953649705 SFARWKCVXONSSU-SKDRFNHKSA-N 317.349 -0.129 30 20 DBED C[C@H](C#N)C(=O)N1CC(N(C)C(=O)C[C@@H]2CCC(=O)N2C)C1 954950222 VQXXNZBOOUZWTK-MNOVXSKESA-N 306.366 -0.174 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](CNC(=O)c2ccc(O)nn2)C1 957845660 BKPBBCMLIWUGKB-MWLCHTKSSA-N 312.757 -0.043 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)C23CCCN(CCC2)C3)C1 958171504 JREDDMNQPMTYJL-LSDHHAIUSA-N 305.422 -0.096 30 20 DBED C#CCN1CCC(C(=O)N2C[C@H](O)[C@@H](N(C)C(C)=O)C2)CC1 958362722 HIHDDWWJARSZPZ-GJZGRUSLSA-N 307.394 -0.618 30 20 DBED C=C(C)CN1C[C@@H](O)[C@@H](CNC(=O)c2ccc(=O)n(C)n2)C1 958648945 DXXGMZCXJOGCIF-WCQYABFASA-N 306.366 -0.621 30 20 DBED C=CCCN1C[C@@H](O)[C@H](CNC(=O)c2cccnc2C(N)=O)C1 958715263 IEXGPEQGWWAWJI-DGCLKSJQSA-N 318.377 -0.221 30 20 DBED N#CCN1C[C@@H]2C(NC(=O)c3cn(-c4cccnc4)nn3)[C@H]2C1 960216119 VXHVYBQDNAPOGN-RYUDHWBXSA-N 309.333 -0.154 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H]2CN(C(=O)c3ncccn3)C[C@@H]21 960877703 NOYKKSPACIUIAG-GRYCIOLGSA-N 315.333 -0.312 30 20 DBED CN(C(=O)C(N)=O)[C@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)CC1 967652235 QOUNUMVIQVLFRK-NSHDSACASA-N 317.349 -0.175 30 20 DBED O=C1NC[C@H](C(=O)N2C[C@@H]3CC[C@H](C2)N3C(=O)C#CC2CC2)N1 968993786 XSCPRYIVBUMLFW-FRRDWIJNSA-N 316.361 -0.717 30 20 DBED Cc1n[nH]c(C)c1C(=O)N[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1O 969703700 OSFZCZMDVHKJPX-ONOSFVFSSA-N 305.338 -0.512 30 20 DBED Cc1cc2[nH]c(=O)c(C(=O)N[C@H](C)C3CN(CC#N)C3)cn2n1 970586419 LRMGQKGTEPMXFI-SNVBAGLBSA-N 314.349 -0.095 30 20 DBED C#CCN1C[C@H]2CC[C@H]1CN2C(=O)[C@@H]1Cc2cncn2C(=O)N1 971632125 VAMUCVDACVLCMZ-SCRDCRAPSA-N 313.361 -0.326 30 20 DBED C#CCN1C[C@@H]2CC[C@H](NC(=O)CN3C(=O)CNC3=O)C[C@H]2C1 980242487 HVLSZONVSYSHCT-AVGNSLFASA-N 318.377 -0.612 30 20 DBED N#Cc1cc(C(=O)N2CCCN([C@H]3CCNC3=O)CC2)c[nH]1 981002141 YIRKFUKWLKCIAJ-ZDUSSCGKSA-N 301.350 -0.077 30 20 DBED C#CCN[C@H]1CCC[C@@H](NC(=O)Cn2ccc(O)nc2=O)C1 981205314 GLBZASSOGZLPSP-NWDGAFQWSA-N 304.350 -0.401 30 20 DBED C=C1CCC(C(=O)N[C@@H]2CCN(C(=O)CC(N)=O)C[C@H]2O)CC1 991739017 AFCPKMAJOTYEQY-CHWSQXEVSA-N 323.393 -0.314 30 20 DBED C[C@@H](C#N)C(=O)N1CC(N2C[C@H](NC(=O)C(C)(C)F)CC2=O)C1 995474196 PXQQNLIEWRWVIT-VHSXEESVSA-N 324.356 -0.178 30 20 DBED C#CCN1CCC([C@H](C)NC(=O)c2nnc(O)nc2O)CC1 997657926 CTJJBRROXYWMQZ-VIFPVBQESA-N 305.338 -0.254 30 20 DBED C=CCn1cc(C(=O)N2CC(NC(=O)c3cccnn3)C2)nn1 998300221 SWDXQJPMKFJEGO-UHFFFAOYSA-N 313.321 -0.492 30 20 DBED C#Cc1cncc(C(=O)NC2CN(C(=O)c3ccc(O)nn3)C2)c1 999305060 VRMFFYIXTDOBFM-UHFFFAOYSA-N 323.312 -0.187 30 20 DBED C#CCN[C@@H]1CCCN(C(=O)C2CC3(C2)NC(=O)NC3=O)C1 1000441046 DACNZHJDMCSQPI-LOIXOFCESA-N 304.350 -0.812 30 20 DBED C#Cc1cncc(C(=O)N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)C(N)=O)c1 1005665775 RHYQVNGKZQFOGY-UPJWGTAASA-N 312.329 -0.590 30 20 DBED CN(C(=O)[C@H]1CCN(C)S1(=O)=O)C1CCN(CC#N)CC1 1006123345 NAQBMZPMFLQIFH-GFCCVEGCSA-N 314.411 -0.533 30 20 DBED CCN1CCOC[C@@H]1C(=O)N1CCN(C(=O)[C@H](C)C#N)CC1 1011355075 GWNAFRHQZWIXFE-CHWSQXEVSA-N 308.382 -0.462 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C(=O)C(=O)N2CC[C@@H](C)C2)CC1 1012331694 XPZHFTGWLMDVKF-NEPJUHHUSA-N 306.366 -0.315 30 20 DBED C#CCCN1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1ccc(O)nc1=O 1017713859 MBHMAPRHOMHNBD-BETUJISGSA-N 316.361 -0.353 30 20 DBED N#CCN1CCCC[C@@H]1CNC(=O)[C@@H]1Cc2cncn2C(=O)N1 1024569083 YSJZLPGNKHCILW-YPMHNXCESA-N 316.365 -0.140 30 20 DBED C#CCCN1CCC[C@H]1CNC(=O)c1nccnc1C(N)=O 1028305737 XANUWCXUEPQTHI-NSHDSACASA-N 301.350 -0.207 30 20 DBED CN1CC[C@H](N2CC(CNC(=O)c3cc(C#N)c[nH]3)C2)C1=O 1031602455 BWNAKPWLPTZJDE-ZDUSSCGKSA-N 301.350 -0.221 30 20 DBED C#Cc1ccc(C(=O)NCC2CN(CC(=O)N3CCC3)C2)nc1 1032135557 ZSFMGMAHEFVCLA-UHFFFAOYSA-N 312.373 -0.043 30 20 DBED CC#CCN1CC[C@H](N(C)C(=O)CN2CC(=O)N(C)C2=O)C1 1033578118 UDJNINUKRWLBRX-LBPRGKRZSA-N 306.366 -0.564 30 20 DBED C=C(C)CN1CC[C@@H](N(C)C(=O)c2cn(CC(N)=O)nn2)C1 1033685536 MHDBMASEXAELBK-LLVKDONJSA-N 306.370 -0.514 30 20 DBED CC#CCN1CCO[C@@H](CNC(=O)c2cc(C(N)=O)cn2C)C1 1035433321 DUNIARFZTFOACN-ZDUSSCGKSA-N 318.377 -0.422 30 20 DBED CC(C)C#CC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2CCOC2)C1 1039664118 KJUCVIREPWTTBN-CJNGLKHVSA-N 308.378 -0.238 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@]1(O)CCN(C(=O)C#CC(C)C)C1 1039721370 KJSPKLWCPFJZLF-WMLDXEAASA-N 320.389 -0.236 30 20 DBED Cn1cc(C(=O)N2C[C@@H]3CCC[C@H](C2)N3CC#N)n(C)c1=O 1040018327 TWVQFKWMBARGFN-TXEJJXNPSA-N 303.366 -0.074 30 20 DBED C=CCCOCC(=O)NC[C@@]1(O)CCN(C(=O)c2cc[nH]n2)C1 1040155791 GBZYBTKDSZNQEI-HNNXBMFYSA-N 322.365 -0.304 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)C23CCN(CC2)C3)C1 1040356342 HOKDYOCFCOLMSO-MLGOLLRUSA-N 320.393 -0.679 30 20 DBED N#CCN1CCC[C@@]2(CCN(C(=O)C[C@H]3CC(=O)NC3=O)C2)C1 1040557804 ZRZWFKMHWQKYHQ-MLGOLLRUSA-N 318.377 -0.123 30 20 DBED CCc1n[nH]cc1C(=O)N1CC[C@@](O)(CNC(=O)[C@@H](C)C#N)C1 1040768222 ANMQHAFCOFPZAN-ZUZCIYMTSA-N 319.365 -0.175 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)C3=CCOCC3)C2)cn1 1040998116 SYLUZIGJSYTQOX-HUUCEWRRSA-N 314.345 -0.034 30 20 DBED C#CCN1CC[C@@H]2CCN(C(=O)Cn3c(O)nnc3O)C[C@H]21 1042325140 DMICWECDKUWYIA-GHMZBOCLSA-N 305.338 -0.755 30 20 DBED CC(C)(C)C#CC(=O)NCC1(O)CN(C(=O)c2nc[nH]n2)C1 1042966031 MQCDBJOUGQNHCT-UHFFFAOYSA-N 305.338 -0.843 30 20 DBED CCOc1cc(C(=O)NCC2(O)CN(C(=O)[C@H](C)C#N)C2)[nH]n1 1043590814 FFSIOIFSNUIYRB-SECBINFHSA-N 321.337 -0.729 30 20 DBED C[C@H](C(=O)N1CC(O)(CNC(=O)[C@H](C)C#N)C1)C1CCOCC1 1045565275 UNXUJPZNDGUGFA-NEPJUHHUSA-N 323.393 -0.102 30 20 DBED C=CCN1CC[C@@H](N2CCN(C(=O)[C@@H]3CN(C)C(=O)N3)CC2)C1 1046052163 UFTWBPWDUXCFIM-KGLIPLIRSA-N 321.425 -0.586 30 20 DBED C=C(C)CN1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CCC(=O)NC2)C1 1047406398 DQAFFMYSWUFSDK-RDBSUJKOSA-N 309.410 -0.018 30 20 DBED C#CCN1CCC(C(=O)NC[C@@H]2COCCN2CC#C)CC1 1051254392 IDADPMJHLBIJBO-MRXNPFEDSA-N 303.406 -0.218 30 20 DBED N#CCN1CCN([C@H]2CCN(C(=O)[C@H]3CCC(=O)NC3)C2)CC1 1052048449 UMEYSZJXUIEFMC-KBPBESRZSA-N 319.409 -0.745 30 20 DBED CC#CCN1CCN([C@@H]2CCN(C(=O)C3(C(N)=O)CC3)C2)CC1 1052073810 PFKFXYBBFJFCBZ-CQSZACIVSA-N 318.421 -0.506 30 20 DBED C=C(C)CN1CC2(CC[C@@H](CNC(=O)[C@@H]3CN(C)C(=O)N3)O2)C1 1053634521 VKCPEGCSATVSQX-STQMWFEESA-N 322.409 -0.064 30 20 DBED N#CCN1CC2(CC[C@H](CNC(=O)[C@H]3CCNC(=O)CC3)O2)C1 1053637800 DTAXYNLCDDLAIL-CHWSQXEVSA-N 320.393 -0.224 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H]2COC3(C2)CN(CCCO)C3)c1 1053765953 BCZMGFCUEIMHTM-GFCCVEGCSA-N 304.350 -0.158 30 20 DBED C[C@H](C(=O)N[C@@H]1COC2(C1)CN(CC#N)C2)N1C(=O)CCC1=O 1053821207 YFWCZOXDNLLFGP-MNOVXSKESA-N 320.349 -0.993 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)[C@@]3(C)CNC(=O)C3)CO2)C1 1053879677 XEMYCFTYJVHOLU-SWLSCSKDSA-N 305.378 -0.505 30 20 DBED Cc1nc(C(=O)N2C[C@H](C)[C@H](NCC#N)C2)nn1-c1nc[nH]n1 1054954666 QCMRGLFQEUMLRQ-WCBMZHEXSA-N 315.341 -0.733 30 20 DBED CNC(=O)NCCC(=O)N1C[C@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2C1 1055319984 MUGXCOJGDUJIQW-UTUOFQBUSA-N 321.381 -0.618 30 20 DBED C=C(C)CCC(=O)NCCN1CCC(NC(=O)C(N)=O)CC1 1055584840 RSPLMKQKWKLPQF-UHFFFAOYSA-N 310.398 -0.475 30 20 DBED C=CCOCC(=O)N[C@]1(CO)CCCN(C(=O)c2cnon2)C1 1055832445 XCCVZXRKDPUKGH-CQSZACIVSA-N 324.337 -0.645 30 20 DBED CC(=O)N(C)CC(=O)N1CCC[C@@](CO)(NC(=O)[C@H](C)C#N)C1 1056093838 OCXOQJSBCZSNTC-IAQYHMDHSA-N 324.381 -0.906 30 20 DBED N#Cc1cnc(N2C[C@H]3[C@H](NC(=O)[C@@H]4CCNC4=O)[C@H]3C2)cn1 1056355496 LCLPMOQSEPCMFK-DCQANWLSSA-N 312.333 -0.965 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H]2CN(C(=O)CCNC(N)=O)C[C@H]21 1056712210 QKNMHLMDNDVOQU-SDDRHHMPSA-N 321.381 -0.346 30 20 DBED C=CCO[C@H](C)C(=O)NCCN(CCO)C(=O)c1ccon1 1057096164 MVYLUQKRGBAAOX-LLVKDONJSA-N 311.338 -0.184 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)c1nccnc1N 1057235660 ZOBXUMHNCJYFTO-UHFFFAOYSA-N 319.365 -0.731 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)[C@H]1CCNC(=O)C1 1057336239 XFQQAWDUVHBSTH-ZDUSSCGKSA-N 323.393 -0.747 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)CCc1cnn[nH]1 1057445507 XPPUDARGMMPOSD-UHFFFAOYSA-N 321.381 -0.522 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2CCN(c3ccc4nnnn4n3)C2)[nH]1 1058330213 NLURQZGHITXKJC-JTQLQIEISA-N 323.320 -0.272 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCN(CCO)C(=O)CCN(C)C 1058708031 ZIPITJVKPNXGCI-OAHLLOKOSA-N 315.414 -0.798 30 20 DBED N#Cc1cccnc1N1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cnnn1 1058729007 SYCGOBXXKDKZOG-BETUJISGSA-N 324.348 -0.180 30 20 DBED C=CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)c1ccnnc1 1058938469 WWXDLARXKRNSCW-LBPRGKRZSA-N 322.365 -0.382 30 20 DBED C[C@@H]1OCCO[C@@H]1C(=O)N1CC[C@H](N=c2cc[nH]c(C#N)n2)C1 1059106887 WMJAPIXNVQREKW-MJVIPROJSA-N 317.349 -0.413 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](CCNC(=O)CCNC(N)=O)C1 1060292723 XCTSKJLRWRHXSL-QWRGUYRKSA-N 309.370 -0.441 30 20 DBED N#Cc1cncc(N2CCC[C@@H]2CNC(=O)[C@H]2CCC(=O)N2)n1 1061327044 ASWKRGFBVDNJGQ-VXGBXAGGSA-N 314.349 -0.288 30 20 DBED N#Cc1ccc(N2CCC[C@@H]2CNC(=O)[C@@H]2CCC(=O)N2)nn1 1061379102 GBAFGZRDNBKCAK-NEPJUHHUSA-N 314.349 -0.288 30 20 DBED Cn1nnc(C(=O)NC[C@@H]2CCCN2c2ccnc(C#N)n2)n1 1061428902 SSNIRDUTUDXZDG-VIFPVBQESA-N 313.325 -0.729 30 20 DBED CC(C)C#CC(=O)N1CCOC[C@H]1CNC(=O)[C@@H]1CCC(=O)N1 1061737979 MFLCGFBVFCNPIO-OLZOCXBDSA-N 321.377 -0.732 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCOC[C@@H]1CNC(=O)c1nc[nH]n1 1061766469 KUVVLZLWBGZAOR-IINYFYTJSA-N 323.353 -0.911 30 20 DBED Cc1nn(C)cc1C(=O)N1CCOC[C@@H]1CNC(=O)[C@H](C)C#N 1061845135 CWILFFXWFIRDQQ-PWSUYJOCSA-N 319.365 -0.155 30 20 DBED CN(C[C@@H]1CCN(C(=O)C(N)=O)C1)c1ncc(C#N)cc1F 1062165160 LUHIQJSNXOPLQJ-VIFPVBQESA-N 305.313 -0.138 30 20 DBED Cc1c(C(=O)N[C@@H]2[C@H]3C[C@H]2N(c2ccnc(C#N)n2)C3)nnn1C 1064230464 UPEURJLTNAJHGL-IMSIIYSGSA-N 324.348 -0.208 30 20 DBED N#Cc1nccc(N2CC[C@@H]3CCN(C(=O)CC(N)=O)C[C@H]32)n1 1064674582 ICZHYOJSTZWTMT-WDEREUQCSA-N 314.349 -0.349 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@H]1CN(C(=O)c2cn[nH]c2)CCO1 1064895833 LCUJESSFUKBKSP-DOMZBBRYSA-N 322.365 -0.306 30 20 DBED C[C@]1(NC(=O)[C@@H]2CNC(=O)N2)CCN(c2ccc(C#N)nn2)C1 1065324453 AQMWFGQZPDMXBD-HZMBPMFUSA-N 315.337 -0.885 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)CCO1 1065536371 GLDPFFHLPDJSOV-LLVKDONJSA-N 320.349 -0.307 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H](CNc2ccc3nnnn3n2)C1 1066603473 ZHCXELHRFAXPRL-ZJUUUORDSA-N 316.325 -0.682 30 20 DBED N#Cc1cnc(N2C[C@H](O)[C@H](CNC(=O)c3ccncc3)C2)cn1 1067642754 JXVDWRAPNFFSJZ-OCCSQVGLSA-N 324.344 -0.030 30 20 DBED C#CCOCCC(=O)N1CC2(CN(C(=O)CCOC)CCO2)C1 1068273821 MBBYPGMDSYXFEL-UHFFFAOYSA-N 324.377 -0.497 30 20 DBED C=CCOCC(=O)N[C@@H]1COC2(C1)CN(C(=O)c1ccon1)C2 1068764220 MPWFKAKLJPXZEP-NSHDSACASA-N 321.333 -0.023 30 20 DBED N#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H]2CCCOCC2)C1 1069916148 GXAGFAUAIONXFA-MCIONIFRSA-N 318.381 -0.040 30 20 DBED N#CCN[C@@H]1CN(C(=O)C2CCOCC2)C[C@@H]1n1ccnn1 1070118988 HYIKBQLVTVTOME-OLZOCXBDSA-N 304.354 -0.430 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)c2cnon2)CCOCC1 1070233022 XPXUUALNTOZBSR-VIFPVBQESA-N 307.310 -0.376 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)CCn2ccnn2)CC1 1070958897 YVEWYMYDQIVRIA-UHFFFAOYSA-N 320.397 -0.495 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CCCN(C(=O)Cn2cncn2)C1 1071375114 VXGTXSQJDFISII-DOMZBBRYSA-N 321.381 -0.288 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)c2ccon2)C1 1071935673 FQQYPAMORWBEAY-PWSUYJOCSA-N 318.333 -0.609 30 20 DBED C[C@@H]1CC[C@H](NC(=O)CN2CCC(=O)NC2=O)CN1CC#N 1071968103 RIBJGZHUMOLSCQ-MNOVXSKESA-N 307.354 -0.579 30 20 DBED C=CCOCC(=O)N[C@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1C 1072010080 GCOVEXANRCHQCO-MNOVXSKESA-N 307.354 -0.406 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CCN(C(=O)CC(N)=O)CC1(C)C 1073393609 MLGSOVCUKWTXRT-VXGBXAGGSA-N 323.393 -0.357 30 20 DBED C#CCCN1CCC2(C1)CN(C(=O)[C@H]1COCCN1C(C)=O)C2 1073443108 BDPRJFVVGPFUNZ-OAHLLOKOSA-N 319.405 -0.209 30 20 DBED Cn1oc(C(=O)N2CC[C@@H]3OCCN(CC#N)[C@H]3C2)cc1=O 1074226009 JMVKEFKPYUFVQI-QWRGUYRKSA-N 306.322 -0.583 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(O)(CNC(=O)C2=COCCO2)CC1 1074703521 HQFCAUYEUCPKDZ-NSHDSACASA-N 323.349 -0.496 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(C(=O)Cn2ncnn2)[C@@H](C)C1 1074894285 OGKHFNSHZBKIFR-NWDGAFQWSA-N 322.369 -0.629 30 20 DBED C=CCCOCC(=O)N[C@@H](C)CCNC(=O)[C@H]1CCC(=O)N1 1075931232 NQXPVYMIAGGWKK-NWDGAFQWSA-N 311.382 -0.131 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)COCCC=C 1077063019 UXFDAGBESWAYPO-ZDUSSCGKSA-N 323.393 -0.270 30 20 DBED COc1cccc2c(C(=O)N[C@@H]3CN(CC#N)C[C@H]3O)cnn12 1077082242 JRRZTCRPKSBVEN-DGCLKSJQSA-N 315.333 -0.359 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3ncncc3C2)C1 1077116996 HZDBJUJKCCRSTB-APHBMKBZSA-N 314.389 -0.234 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2cnc(C(F)(F)F)nc2)C1 1077193610 JVXCEVSVQCYFQG-RKDXNWHRSA-N 315.255 -0.206 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2ccnn2C)C1 1077429421 RKAMHQGXZJCZEZ-RGCMKSIDSA-N 302.378 -0.292 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1077431904 ADKUHLWQTBTQOB-VQJWOFKYSA-N 310.394 -0.225 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2CN(C[C@@H](C)OC)C[C@H]2O)c1 1077648853 VIRFSUULCOTDRN-KCPJHIHWSA-N 303.362 -0.127 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2ccnn2C2CCOCC2)C1 1077813874 HDEIJFBYNOJPJG-TZMCWYRMSA-N 319.365 -0.467 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)C(=O)N2CCC[C@H]2CC)C1 1077962642 OGRHVQAXYYHVLE-MGPQQGTHSA-N 307.394 -0.428 30 20 DBED C=CCOCC(=O)N1CC(N(CC)C(=O)C2(NC(N)=O)CC2)C1 1079636378 KNKOFAOHFGZXKE-UHFFFAOYSA-N 324.381 -0.551 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(N(CC)C(=O)[C@H]2C[C@H]2C(N)=O)C1 1080564120 OQLCBFQJBCKFMQ-WQGACYEGSA-N 323.393 -0.506 30 20 DBED CC(=O)N[C@H](C)C(=O)NC1(CO)CCN(C(=O)[C@H](C)C#N)CC1 1080703091 OWEPLLMGFPPRON-GHMZBOCLSA-N 324.381 -0.860 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)CNC(=O)OC)C1 1081305199 NFBCCXWHCZEGMG-GHMZBOCLSA-N 313.354 -0.756 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)c2cnnc(O)c2)C[C@@H]1O 1081338021 LINCXJJTNUUOCA-RYUDHWBXSA-N 320.349 -0.303 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2cc(C)[nH]n2)C[C@@H]1O 1081344495 QQTIVNYCPWNILL-YPMHNXCESA-N 322.365 -0.530 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2cn(C)cn2)C1 1081407097 CSZJWPHIBSVQGN-TZMCWYRMSA-N 318.377 -0.371 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)c2ccn(C)n2)C[C@H]1O 1081465755 LMKOGNWFXKNLFY-GXTWGEPZSA-N 318.377 -0.371 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2n[nH]cc2C)C1 1081466610 VWXIXLFBQNRQNI-VXGBXAGGSA-N 322.365 -0.530 30 20 DBED C#CCCN1C[C@@H](NC(=O)[C@@H]2CCCCC(=O)N2)[C@H](OC)C1 1082124108 RHLHUSZHMZDYRK-BFHYXJOUSA-N 307.394 -0.116 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)C2CCC(C(N)=O)CC2)C1 1083590965 DSYFHWWVZVSXFN-PQAZSJQKSA-N 307.394 -0.537 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCCN2C(=O)C2CC2)C1 1083839056 BIENHMFZBJMXGT-RDBSUJKOSA-N 305.378 -0.818 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](NC(=O)c2cc(C(N)=O)c[nH]2)C1 1083895102 HRIITTYDSVCWPW-OLZOCXBDSA-N 306.366 -0.145 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](NC(=O)CN2CC(=O)N(C)C2=O)C1 1083948668 DAMQODJTWDGBEC-NEPJUHHUSA-N 324.381 -0.992 30 20 DBED C=CCN[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)C[C@H]1c1cnn(C)c1 1086994585 JKHCYXVXAXXPCB-RWMBFGLXSA-N 318.381 -0.829 30 20 DBED C=CCN1CC[C@@H](NC(=O)c2cn(CCOC)nn2)[C@H](O)C1 1090257861 KUYRFIIAIOTXEX-DGCLKSJQSA-N 309.370 -0.725 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(c2nc(C)ns2)C[C@H]1O 1090408321 POPSRBUJGQURFK-BREBYQMCSA-N 312.395 -0.161 30 20 DBED CCN(CC)CC(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1O 1090429661 HHCUGGHVLVLXNV-CHWSQXEVSA-N 318.381 -0.644 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2cccn3c(O)nnc23)[C@@H](O)C1 1090720713 BOQLFAQFZNYRHO-MNOVXSKESA-N 316.321 -0.877 30 20 DBED C=CCCN1CC[C@H](NC(=O)c2cc(C(N)=O)ccn2)[C@@H](O)C1 1090859495 WXNGLJCAOIVJTG-JSGCOSHPSA-N 318.377 -0.078 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1091081913 RFADSMAWXICKGG-NEPJUHHUSA-N 303.322 -0.783 30 20 DBED N#Cc1cnc(N[C@H]2C[C@@H](CNC(=O)Cn3nccn3)C2)cn1 1091373550 AXRRQZNNIPTFNK-PHIMTYICSA-N 312.337 -0.053 30 20 DBED C#CCN1CC(OC2CCN(C(=O)[C@@H]3CC[C@@H]3C(N)=O)CC2)C1 1093557744 IHJGBXASKRNNRB-LSDHHAIUSA-N 319.405 -0.177 30 20 DBED N#Cc1c[nH]ccc1=NCCNC(=O)CCN1CCCC1=O 1093660694 BJSYODSELQMWEH-UHFFFAOYSA-N 301.350 -0.084 30 20 DBED C[C@H](OC[C@@H]1CCCO1)C(=O)NCCN=c1cc[nH]c(C#N)n1 1093692913 JXLZNUOFAJEKJD-RYUDHWBXSA-N 319.365 -0.118 30 20 DBED CCCC[C@@H](NC(N)=O)C(=O)NCCN=c1cc[nH]c(C#N)n1 1093705148 WRMCXBSAGXSKGY-SNVBAGLBSA-N 319.369 -0.475 30 20 DBED N#Cc1cnc(NCCNC(=O)[C@@H]2CCCN2C(N)=O)cn1 1093708245 KYHMLYJOHHSRFF-JTQLQIEISA-N 303.326 -0.581 30 20 DBED N#Cc1cnc(NCCNC(=O)c2ccn3nnnc3c2)cn1 1094032833 XAFRPVADYWAILF-UHFFFAOYSA-N 309.293 -0.372 30 20 DBED C=CCCN1CC(n2cc(CNC(=O)[C@H]3CCNC3=O)nn2)C1 1094311258 TUFXZZPYRNKQEG-ZDUSSCGKSA-N 318.381 -0.537 30 20 DBED Cc1nc(CC(=O)NCCCNc2cnc(C#N)cn2)n[nH]1 1094401890 OJMPUBVAZZFUQX-UHFFFAOYSA-N 300.326 -0.064 30 20 DBED CNC(=O)C1(C(=O)NCCCNc2ccc(C#N)nn2)CC1 1094496684 JEUXTESPLCPKTG-UHFFFAOYSA-N 302.338 -0.207 30 20 DBED C[C@@H]1C[C@H](C(=O)NCCCN=c2cc[nH]c(C#N)n2)CC(=O)N1 1094651993 OWAWSGUIILBUPN-MNOVXSKESA-N 316.365 -0.397 30 20 DBED N#CCN1CC(N2C[C@@H](NC(=O)C34CCN(CC3)C4)CC2=O)C1 1094806254 KPRMHUHBJTVPHG-LBPRGKRZSA-N 317.393 -0.993 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)CN3CCCC3)CC2=O)C1 1094816917 HIANQCVHIXRTLJ-CYBMUJFWSA-N 304.394 -0.883 30 20 DBED CN(CCCNC(=O)[C@@H]1CNC(=O)N1)c1ncc(C#N)cc1F 1095715161 IKTXPLMYFMBBRF-NSHDSACASA-N 320.328 -0.284 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H]1Cc2cncn2C(=O)N1 1095805471 MKDSNCIGQSOTES-SAXRGWBVSA-N 313.361 -0.280 30 20 DBED CCc1nc(C#N)cc(N2CC[C@H](NC(=O)CNC(C)=O)C2)n1 1096311821 QQEWQPNZDOSSMG-NSHDSACASA-N 316.365 -0.258 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CCN(c2nccn3nnnc23)C1 1096359403 BYWYBPSAXUVYLX-QMTHXVAHSA-N 317.353 -0.459 30 20 DBED N#Cc1nc(=N[C@@H](CNC(=O)[C@@H]2COC(=O)N2)C2CC2)cc[nH]1 1096660729 YYHRRRUTWIZAOM-UWVGGRQHSA-N 316.321 -0.815 30 20 DBED C#CCCN(CCO)C1CCN(C(=O)[C@@H]2CN(C)C(=O)N2)CC1 1098447391 JUUZEFOJCCAPEN-AWEZNQCLSA-N 322.409 -0.681 30 20 DBED C[C@H](O)CNCc1cn([C@@H]2CCN(C(=O)C#CC3CC3)C2)nn1 1098669946 ZJVZJRCXLSPLSI-SWLSCSKDSA-N 317.393 -0.065 30 20 DBED C#CCN1C[C@@H]2[C@@H]3CC[C@@H](CN3C(=O)CNC(=O)NC)[C@H]2C1 1099490655 VAFXOLWDSJSONS-CRWXNKLISA-N 304.394 -0.283 30 20 DBED CCCNC(=O)CN1CC[C@H](NC(=O)C#CC(C)C)[C@@H](O)C1 1099821462 VEGPEIWUEFGLJT-KBPBESRZSA-N 309.410 -0.277 30 20 DBED C#CCNC(=O)CC(=O)NCCN(C)c1nc(C)ccc1C#N 1100037668 MOORFTFEZZIVMT-UHFFFAOYSA-N 313.361 -0.046 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CCN2CCCC2=O)[C@H](O)C1 1100115810 FFDFCYQBDGUCJT-ZIAGYGMSSA-N 307.394 -0.426 30 20 DBED C#CCNC(=O)[C@H](C)NC1CC(CNC(=O)COCC=C)C1 1100187790 MPRYSEFQUBAORD-HSBZDZAISA-N 307.394 -0.189 30 20 DBED N#Cc1c[nH]c(C(=O)NCC2CC(NCCOCCO)C2)c1 1100221354 AEBGQKWAZQYGTJ-UHFFFAOYSA-N 306.366 -0.007 30 20 DBED CN(CCNC(=O)c1ccn(C)c(=O)c1)c1ccnc(C#N)n1 1100399528 CFARQHDNUGECLN-UHFFFAOYSA-N 312.333 -0.087 30 20 DBED CCCN(CCNC(=O)c1nnn(C)n1)c1cnc(C#N)cn1 1101215798 HCCVAUBRWGJBPJ-UHFFFAOYSA-N 315.341 -0.482 30 20 DBED C#CCCN1C[C@@H](C)[C@H](CNC(=O)CN2CCOCC2=O)C1 1102052953 LNPRLXPLFQXHNK-ZIAGYGMSSA-N 307.394 -0.447 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CN(c2cnc(C#N)cn2)CCO1 1104301762 KLBBQHHVMAVDGY-JQWIXIFHSA-N 300.322 -0.171 30 20 DBED C[C@H](CNc1cnc(C#N)cn1)N(C)C(=O)Cn1ncnn1 1104688654 LUIUIMXCMNQRGJ-SECBINFHSA-N 301.314 -0.706 30 20 DBED C#CCNC(=O)CC(=O)N1CC(n2cc(CNCCC)nn2)C1 1105219532 DNZCWLPCPFUNQQ-UHFFFAOYSA-N 318.381 -0.700 30 20 DBED CNC(=O)NCC(=O)NC[C@H](Nc1cncc(C#N)n1)C(C)C 1105299006 YHLMSQHBCIFGMQ-NSHDSACASA-N 319.369 -0.170 30 20 DBED C#CCNCc1cn(C2CN(C(=O)COCCCOC)C2)nn1 1105359567 NIXKGBDKSXKKNA-UHFFFAOYSA-N 321.381 -0.563 30 20 DBED CN(CCN(C)c1ccc(C#N)cn1)C(=O)[C@@H]1COC(=O)N1 1105393422 VWCQHDYRMFKKSD-NSHDSACASA-N 303.322 -0.044 30 20 DBED N#Cc1sc(NC[C@@H](O)CNC(=O)CC(N)=O)nc1Cl 1105763900 RKHCOPUOPOLXPN-YFKPBYRVSA-N 317.758 -0.567 30 20 DBED CCn1nncc1C(=O)NC[C@@H](O)CN=c1cc[nH]cc1C#N 1105822771 VNMPXJDESAHBKR-NSHDSACASA-N 315.337 -0.811 30 20 DBED COCC[C@H](C)C(=O)NC[C@H](O)CNc1nccnc1C#N 1105859835 JJOJLQHAGGRLOB-WDEREUQCSA-N 307.354 -0.090 30 20 DBED C#Cc1ccc(C(=O)NC[C@H](O)CNc2cnc(C#N)cn2)cn1 1105909139 FARWYBDOOGETRB-CQSZACIVSA-N 322.328 -0.073 30 20 DBED Cc1nc(O)[nH]c1C(=O)NC[C@@H](O)CNc1ccc(C#N)nn1 1106001196 RAEAXDMLHPBYHO-VIFPVBQESA-N 317.309 -0.712 30 20 DBED N#Cc1cnc(NC[C@@H](O)CNC(=O)[C@]2(F)CCOC2)cn1 1106071752 ALJJPGYBWIEOPE-MFKMUULPSA-N 309.301 -0.634 30 20 DBED Cc1ncc(C(=O)NC[C@@H](O)CNc2cncc(C#N)n2)n1C 1106093047 SVSOYNNZJYMPQM-NSHDSACASA-N 315.337 -0.407 30 20 DBED C[C@@H](CCNc1nccnc1C#N)NC(=O)[C@@H]1COCCN1C 1106277465 HCAYXIYBVCQWQR-AAEUAGOBSA-N 318.381 -0.014 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNc1nccc(OC)n1 1106285710 WPIVMUFDCSWAIC-NSHDSACASA-N 319.365 -0.069 30 20 DBED C[C@H](CCNc1cncc(C#N)n1)NC(=O)[C@@H]1CN(C)C(=O)N1 1106531813 QORMNCHDXCKSLB-KOLCDFICSA-N 317.353 -0.321 30 20 DBED C[C@H](CCNc1nccnc1C#N)NC(=O)[C@H]1CNC(=O)N1 1106543848 UFPLGMLBDDGGLX-PSASIEDQSA-N 303.326 -0.664 30 20 DBED N#Cc1nccnc1NC/C=C\CNC(=O)[C@@H]1CCC(=O)N1 1107280827 VTFGJSKKIPBPTM-SYBPUXJVSA-N 300.322 -0.289 30 20 DBED C[C@H](C(=O)NC/C=C/CNc1nccnc1C#N)S(C)(=O)=O 1107576378 LUPQDKUHZFJNAN-HMDXOVGESA-N 323.378 -0.134 30 20 DBED CCN(C)C(=O)CN1CCO[C@@](C)(CNC(=O)[C@H](C)C#N)C1 1107819734 UIYXQOSHAYCRGF-DOMZBBRYSA-N 310.398 -0.169 30 20 DBED CN1CCC(OCC(=O)NC[C@@]2(C)CN(CC#N)CCO2)CC1 1108310967 UYYODLLPQABBBI-INIZCTEOSA-N 324.425 -0.172 30 20 DBED Cc1cc(C#N)nc(NC[C@H](C)NC(=O)[C@H]2COCCN2C)n1 1108319655 BMZPFONUJSDFBZ-WCQYABFASA-N 318.381 -0.096 30 20 DBED C=CCCOCC(=O)NC[C@]1(C)CN(CC(=O)NC)CCO1 1108429886 QRWLMJBUQVKCKN-OAHLLOKOSA-N 313.398 -0.468 30 20 DBED C[C@@H](CN=c1cc[nH]cc1C#N)NC(=O)C[C@@H](C)NC(N)=O 1108528535 MNYQCSBONKCIPO-ZJUUUORDSA-N 304.354 -0.261 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CC(=O)N(C2CN(CC#CC)C2)C1 1108538745 NGLAQOUVXXBAHO-DYVFJYSZSA-N 319.405 -0.262 30 20 DBED CO[C@@H](CC(C)C)C(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1 1108572074 LSPHYEWKMWQXOJ-JSGCOSHPSA-N 322.409 -0.028 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H](C)OCC 1108963567 JPLSFSZEBQJTJL-MQYQWHSLSA-N 307.394 -0.118 30 20 DBED N#Cc1nccc(NC2(CNC(=O)c3c[nH]c(=O)cn3)CC2)n1 1110320514 YCDYQXOFGIVTPE-UHFFFAOYSA-N 311.305 -0.194 30 20 DBED CN(C)C(=O)CC(=O)N1CCC[C@H]1CN=c1cc[nH]c(C#N)n1 1110565436 ZNJJGSHMPFYXLG-NSHDSACASA-N 316.365 -0.349 30 20 DBED N#Cc1cccnc1NCCN(CCO)C(=O)[C@H]1C[C@H]1C(N)=O 1111566419 DWKCHLOLNMCUTR-NEPJUHHUSA-N 317.349 -0.693 30 20 DBED N#Cc1nc(=NC[C@H]2CC[C@H](NC(=O)CC(N)=O)CC2)cc[nH]1 1111638249 ULQRQEBAPOXTQA-XYPYZODXSA-N 316.365 -0.268 30 20 DBED C=CCNC(=O)CN1C[C@@H]2CCC[C@]2(NC(=O)c2nc[nH]n2)C1 1111908350 UZYLUHUCZGWLKY-NHYWBVRUSA-N 318.381 -0.309 30 20 DBED N#Cc1ccc(NC[C@@H]2CN(C(=O)CNC(N)=O)CCO2)cn1 1111930814 JKBZQOUWEZOTJZ-GFCCVEGCSA-N 318.337 -0.739 30 20 DBED C#CCNC(=O)CC(=O)N(C)CCCN(C)c1ncccn1 1112063184 QVOGZXOVTRQCRE-UHFFFAOYSA-N 303.366 -0.099 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CCN(c2cnc(C#N)cn2)[C@@H](C)C1 1112467568 POCHHLFPGJKKRU-CMPLNLGQSA-N 316.365 -0.042 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)c2ccncn2)CC1 1113442866 MBLBNARPAXIRNE-LBPRGKRZSA-N 303.366 -0.075 30 20 DBED C=CCCOCC(=O)N1CCN(CCNS(C)(=O)=O)CC1 1113710864 XIQMXFDGQCGSIO-UHFFFAOYSA-N 319.427 -0.728 30 20 DBED Cc1cc(C(=O)NC2[C@H]3CN(CC(=O)NCC#N)C[C@H]23)n[nH]1 1113948770 YICMODRLYNIQRW-UWVGGRQHSA-N 302.338 -0.982 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)C[C@@H]3CCOC3)[C@H]2C1 1114084640 CNHRWAYZAYMXGB-BCUIYNNISA-N 305.378 -0.791 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3ccc(C#N)[nH]3)[C@H]2C1 1114143646 RSQQQLCTDPLRDD-JYAVWHMHSA-N 311.345 -0.704 30 20 DBED C#CCOCCC(=O)NC1[C@H]2CN(CCn3cncn3)C[C@H]12 1114268158 GTAGEVTTZDACAG-STQMWFEESA-N 303.366 -0.636 30 20 DBED CO[C@H](C(=O)NC1[C@H]2CN(CC(=O)NCC#N)C[C@H]12)C1CCC1 1114639448 WTCILWQBIMAKRA-HUBLWGQQSA-N 320.393 -0.512 30 20 DBED C#Cc1cncc(C(=O)NC2[C@@H]3CN(C[C@H](O)COC)C[C@@H]23)c1 1114807745 DZTCSWKCAWWUMK-RRFJBIMHSA-N 315.373 -0.270 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)C(=O)N[C@@H]2CCc3c[nH]nc3C2)C1 1118151310 GWLXTABECGITCW-IAQYHMDHSA-N 317.349 -0.740 30 20 DBED N#Cc1ccc(CCNC(=O)C(=O)N2CCO[C@@H](C#N)C2)cc1 1118444362 LJSCCLZNLRCZKF-AWEZNQCLSA-N 312.329 -0.032 30 20 DBED Cc1cc(CC(=O)NC[C@@H](CO)Nc2cnc(C#N)cn2)no1 1121229358 WJSUZIURXKEMTK-LBPRGKRZSA-N 316.321 -0.224 30 20 DBED CO[C@H](C(=O)NC[C@@H](CO)Nc1nc(C)cc(C#N)n1)C1CC1 1121504810 HMHGBPZNAGDFEQ-STQMWFEESA-N 319.365 -0.029 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)CCCCC(N)=O)cn1 1122045922 ZMUOVZCZIXXVKS-CYBMUJFWSA-N 319.365 -0.112 30 20 DBED CN1C(=O)CC[C@@H]1C(=O)NC[C@H](CO)Nc1ccc(C#N)nc1 1122391578 PYPXZXWFJIKUHX-CHWSQXEVSA-N 317.349 -0.537 30 20 DBED N#Cc1c[nH]ccc1=N[C@H](CO)CNC(=O)CCc1cn[nH]c1 1122704247 JIVZFSXPJYGROV-ZDUSSCGKSA-N 314.349 -0.380 30 20 DBED C#CCOCCC(=O)N(C)C[C@@H](O)CNc1cnc(C#N)cn1 1124519113 IHHACGGFKNQJSE-ZDUSSCGKSA-N 317.349 -0.381 30 20 DBED CN(C[C@@H](O)CNc1ncccc1C#N)C(=O)c1cnn[nH]1 1124897414 SAKSHVGGPVFIBC-JTQLQIEISA-N 301.310 -0.384 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1ccn2c(C)cnc2c1 1127292391 FNVXRBKZAQXNNU-UHFFFAOYSA-N 313.361 -0.288 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1cnc2[nH]cnc2c1 1128431428 CABRARHCOAJPOO-JTQLQIEISA-N 314.349 -0.585 30 20 DBED N#CCNC(=O)CNCCNC(=O)[C@H]1CCCn2nccc21 1130437416 KCBGRGAZXCICKF-NSHDSACASA-N 304.354 -0.894 30 20 DBED C=CCOCC(=O)NCc1nc([C@H]2COCCN2CC#N)n[nH]1 1130835660 PCOVOSXPMMSFFG-LLVKDONJSA-N 320.353 -0.480 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)CCCC(=O)NC)C[C@@]3(C1)O2 1131220875 SVVQKBUCSPHISQ-JJRVBVJISA-N 319.405 -0.162 30 20 DBED Cc1cc(C(=O)N[C@@H]2CC[C@H](C)N(CC(=O)NCC#N)C2)n[nH]1 1131861827 PTPRHUZIVPSOHT-NWDGAFQWSA-N 318.381 -0.059 30 20 DBED C#CCNC[C@H]1CN(C(=O)CN2CC(=O)N(C)C2=O)CC[C@@H]1C 1133249687 IZQNMPQPHAPPCP-STQMWFEESA-N 320.393 -0.412 30 20 DBED C[C@@H](C[C@H](C)NC(=O)CCc1cnn[nH]1)NCC(=O)NCC#N 1135496986 OTNGKTJKZPTPGX-QWRGUYRKSA-N 321.385 -0.750 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)Cc2cnn(CC)c2)C1=O 1147388016 HDBUKCYAQGLRHF-AWEZNQCLSA-N 319.409 -0.062 30 20 DBED C#CCNC(=O)CN1CCCO[C@@H](CNC(=O)c2ccco2)C1 1149027954 JSKIRHQKZXCWBF-ZDUSSCGKSA-N 319.361 -0.150 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)[C@]2(COC)CCOC2)C1 1150036165 NCJNXCYMEJKPKM-HOCLYGCPSA-N 310.394 -0.120 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)CC1(O)CCC1 1153222289 WZKUCJJKMNNGHM-CYBMUJFWSA-N 309.410 -0.133 30 20 DBED C[C@H]1c2ccccc2O[C@H]1C(=O)NCCNCC(=O)NCC#N 1153642186 RVZBXXXOCANMBN-XHDPSFHLSA-N 316.361 -0.103 30 20 DBED CC[C@@H]1C[C@H](C(=O)NCCCNCC(=O)NCC#N)CC(=O)N1 1163073714 PJCDFTMHTZPWAF-NWDGAFQWSA-N 323.397 -0.973 30 20 DBED C#CCNC(=O)CNCC1(CCNC(=O)C[C@@](C)(O)C=C)CC1 1164303941 WRFSMTACNSNVKF-INIZCTEOSA-N 321.421 -0.061 30 20 DBED C#CCNCC1(CCNC(=O)CN2CCN(C)C(=O)C2)CC1 1165879393 WCGFYNPJWLGMGD-UHFFFAOYSA-N 306.410 -0.730 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)[C@@H]1CCCCC(=O)N1 1166462320 LIDJTILUXSVMOO-STQMWFEESA-N 324.425 -0.168 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)[C@H](CC)NC(C)=O 1167185352 KHOHDABFIAULEP-YPMHNXCESA-N 312.414 -0.312 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)CCCCNC(N)=O)C[C@H]21 1177042552 QGYFKTYTUOIDMI-ZIAGYGMSSA-N 322.409 -0.240 30 20 DBED Cc1ocnc1C(=O)N1CC[C@H](NCC(=O)NCC#N)[C@@H]1C 1178246336 ZXIDGUUDHWCVEN-ONGXEEELSA-N 305.338 -0.185 30 20 DBED C=CCOCC(=O)N1CC[C@H](NCCN2CCNC2=O)[C@@H]1C 1178338734 JKPXXWUFLDQHGO-STQMWFEESA-N 310.398 -0.207 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](NCc2csnn2)[C@@H]1C 1178508863 ZPBISKLAERLTCJ-JQWIXIFHSA-N 321.406 -0.243 30 20 DBED C#CCNC(=O)CNCCCCCCNC(=O)Cn1nccn1 1178580285 VAQKKDPLMCWUNU-UHFFFAOYSA-N 320.397 -0.706 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)c2cn(C)nn2)[C@H]1C 1178611543 KYFIKLMDBKIOAS-SRVKXCTJSA-N 318.381 -0.854 30 20 DBED C[C@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)c1cc(F)c[nH]1 1179165391 VQCRBRTUEWVSEK-ONGXEEELSA-N 307.329 -0.014 30 20 DBED C=CCO[C@H](C)C(=O)N1CC[C@H](NCc2nc(=O)n(C)[nH]2)[C@@H]1C 1180268466 BVSQGWILZPEJEQ-TUAOUCFPSA-N 323.397 -0.222 30 20 DBED C[C@@H]1CN(C(=O)CN2CCOCC2=O)CC[C@H]1CNCC#N 1184586775 LGDVCYCRKUKYSW-OLZOCXBDSA-N 308.382 -0.557 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CCNC(=O)CC2)C1 1184594616 SDMIRJIBZKYWHG-CHWSQXEVSA-N 322.409 -0.605 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)[C@@H](OC)c2cnn(C)c2)C1 1184609791 UIJRFKMLGWPHCI-CABCVRRESA-N 320.393 -0.052 30 20 DBED C[C@@H]1CN(C(=O)c2ccc(=O)n(C)n2)CC[C@H]1CNCC#N 1185642938 VWFCFQLQSPQYCN-NEPJUHHUSA-N 303.366 -0.008 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)CCn2cccc2)C1 1186568574 CHGZWXMCBFOKTQ-CQSZACIVSA-N 302.378 -0.182 30 20 DBED COCC#CCN1C[C@@H]2CCN(C(=O)C[C@@H]3CCNC3=O)[C@@H]2C1 1188181257 FLHNBYDLYSZCJH-SOUVJXGZSA-N 319.405 -0.305 30 20 DBED CCc1cc(C(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)nn1C 1188429584 CNYVXKCAMZPZBO-LLVKDONJSA-N 318.381 -0.574 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2cnn(CC)n2)C1 1189984054 QFNMREBVWBBWBZ-GFCCVEGCSA-N 320.397 -0.254 30 20 DBED COCC#CCN(C)[C@H]1CCN(C(=O)C[C@H](C)NC(N)=O)C1 1190156003 PIPHOBAUBOYWSX-STQMWFEESA-N 310.398 -0.384 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C[C@@H](C)CCC)C1 1191687309 OFNCJHGGRGLGAN-BFHYXJOUSA-N 309.410 -0.277 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2OCC[C@H]2C(C)C)C1 1193049389 ZTJQVSNJRVCSID-JJXSEGSLSA-N 324.421 -0.141 30 20 DBED CC#CCN(C)[C@@H]1CCN(C(=O)CS(=O)(=O)N(C)C)C1 1193787444 RLYNLPFIJDDJFV-GFCCVEGCSA-N 301.412 -0.566 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCCN(Cc2ncnn2C)CC1 1195792756 ZJVVSOPKIAHZGF-ZDUSSCGKSA-N 305.382 -0.112 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@H](C)OCc2ccncc2)C1 1196298878 DOKOSSDBBCYBGB-NWANDNLSSA-N 303.362 -0.219 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)CCCC(C)C)C1 1196351310 DFCOALBKSNCDDV-ZIAGYGMSSA-N 309.410 -0.277 30 20 DBED Cn1cncc1C(=O)N1CCCN(CC(=O)NCC#N)CC1 1196423877 RHWBWWDXEVYHJJ-UHFFFAOYSA-N 304.354 -0.792 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)[C@]2(C)CNC(=O)C2)CC1 1196602287 LHIPRNXYIWAVHT-INIZCTEOSA-N 322.409 -0.651 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)C2(NC(N)=O)CCCCC2)C1 1196666427 CDYLHOUSUZIIFJ-CHWSQXEVSA-N 322.409 -0.458 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)NC(=O)CC2CCCC2)C1 1196924565 CNAVFFGKGRQBNY-BPLDGKMQSA-N 321.421 -0.134 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(Cc2cnsn2)C[C@H]1O 1199292698 QQMVAURRTCAWRX-VXGBXAGGSA-N 312.395 -0.208 30 20 DBED C#CCNC(=O)[C@H](C)NC1CCN(C(=O)c2cncnc2)CC1 1200195241 XJVGXJFYCQWYCT-LBPRGKRZSA-N 315.377 -0.191 30 20 DBED C#CCN[C@@H]1C[C@@H](NC(=O)CN(C)C(=O)COC)C12CCC2 1203007234 WTRJYJKMFKQYRX-CHWSQXEVSA-N 307.394 -0.259 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@H](OC)C2CC2)C1 1207935835 XBIIONJPLVAMNJ-UKRRQHHQSA-N 307.394 -0.259 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)C2(C(N)=O)CC2)C1 1209346168 RPBGACSUIPVPTK-LLVKDONJSA-N 308.382 -0.865 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)C[C@H]2CCC(=O)N2)[C@H](C)C1 1209423932 BARLVSPMGJQUHV-JHJVBQTASA-N 322.409 -0.606 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H](C)CCOC)C[C@H]1C 1216794174 YSNSAKJYOWFEOU-BFHYXJOUSA-N 309.410 -0.155 30 20 DBED Cc1cccc(C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@@H]2O)c1 1219134744 OAKXGHLANPJJPX-KGLIPLIRSA-N 316.361 -0.590 30 20 DBED C#CCC1(C(=O)N[C@@H]2CN(CC(=O)N3CCC3)C[C@@H]2O)CCC1 1219783618 BKGBGRHMFNVNHB-KGLIPLIRSA-N 319.405 -0.426 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)COCc2cc(C)on2)C1 1219865864 NNVWCLIMCDCUFZ-KGLIPLIRSA-N 307.350 -0.316 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2nocc2C)C1 1220686208 TYRRNXGQYSDPPD-MNOVXSKESA-N 308.338 -0.940 30 20 DBED C#CCN1CC[C@@H]2CCN(C(=O)CN(C)C(=O)COC)C[C@@H]21 1222810535 PLIUAYBHXIWBLB-KGLIPLIRSA-N 307.394 -0.353 30 20 DBED N#CCNC(=O)CN1CCC(NC(=O)c2c[nH]c(C#N)c2)CC1 1226985583 HZHDWICJHWPSCE-UHFFFAOYSA-N 314.349 -0.280 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)[C@H]2CN(C)C[C@H]2C)CC1 1229185470 MNKZNDYCSUTPBU-HIFRSBDPSA-N 320.437 -0.486 30 20 DBED C=CCNC(=O)[C@H](C)N1CC[C@@H]1CN(C)C(=O)CNC(C)=O 1230646445 OMABRBXVCYEEMV-WCQYABFASA-N 310.398 -0.654 30 20 DBED CN(C[C@@H]1CCN1CC(=O)NCC#N)C(=O)c1ncccc1O 1233837516 OJQLMFDCRBAJIN-NSHDSACASA-N 317.349 -0.427 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)CCCNC(=O)c1cnn(C)c1C 1233988789 SDDYWERZSZGXKE-CYBMUJFWSA-N 319.409 -0.082 30 20 DBED C#CCSCCNC(=O)C(=O)N1CCCN(C(C)=O)CC1 1261093025 XOFGJZZRKHUSEG-UHFFFAOYSA-N 311.407 -0.450 30 20 DBED CN(Cc1cn(C)nn1)C(=O)C(=O)N1CCC[C@](C)(C#N)C1 1261615694 VLPOJGILQUPVEP-CQSZACIVSA-N 304.354 -0.074 30 20 DBED COC[C@H](O)CN1CC[C@@](O)(CNC(=O)C#CC(C)(C)C)C1 1278777212 VQZBHFNQHBLEAL-CZUORRHYSA-N 312.410 -0.404 30 20 DBED COC(=O)C[C@@H]1CN(C(=O)C(=O)NCCCCC#N)CCO1 1322572152 URVAYSQRIAAUMV-LLVKDONJSA-N 311.338 -0.413 30 20 DBED C#CCSCCNC(=O)C(=O)NCCn1cnnc1CC 1323104970 QQIFAUMUJSBLMZ-UHFFFAOYSA-N 309.395 -0.561 30 20 DBED COC(=O)N1CC(NC(=O)C(=O)N2CCC[C@](C)(C#N)C2)C1 1324083781 UPZDDHXGOFDGAN-CQSZACIVSA-N 308.338 -0.295 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2C[C@@H](O)C[C@@H](C)C2)nn1 1326249025 BDCGZSRFLPNSAL-PWSUYJOCSA-N 307.354 -0.690 30 20 DBED O=C1C=CC=N/C1=C(/O)NCCNC(=O)C1(C(=O)O)CCC1 1326421277 JSBRYRNMOBIJLK-ZHACJKMWSA-N 307.306 -0.116 30 20 DBED C=C[C@H](CO)NC(=O)C(=O)Nc1cccc(C(=O)NC)c1C 1327473477 OZQFGINTQMWDHU-SNVBAGLBSA-N 305.334 -0.044 30 20 DBED CCN1CCCN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)CC1 1328424304 ACWMCZVNWVSUJE-HNNXBMFYSA-N 308.382 -0.582 30 20 DBED C[C@H](CN1CCCC1=O)NC(=O)C(=O)N1CCC[C@@H](C#N)C1 1332658038 SUHXFWMSRQQQQQ-NEPJUHHUSA-N 306.366 -0.124 30 20 DBED C[C@@]1(C(N)=O)CCN(C(=O)C(=O)N2CCC[C@H](CC#N)C2)C1 1333415313 CHIXSJZXTYLELV-IAQYHMDHSA-N 306.366 -0.137 30 20 DBED C#CCO[C@@H](C)C(=O)NS(=O)(=O)c1cnc(Cl)n1C 1334277217 PBHZSUSVZIKNLW-ZETCQYMHSA-N 305.743 -0.083 30 20 DBED Cn1nccc1CCNC(=O)C(=O)N1CCN(CCC#N)CC1 1336429347 UMBLUYNCRRQBTJ-UHFFFAOYSA-N 318.381 -0.863 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCC(NC(=O)C(C)C)CC1 1342444158 CBUAFIJYQDHJPM-UHFFFAOYSA-N 323.393 -0.484 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)NC[C@H](C)CN1CCOCC1 1345548394 OWBBELVMFZOYBN-HNNXBMFYSA-N 319.405 -0.444 30 20 DBED C#CCCN(CCOC)CC(=O)N[C@@H]1CCS(=O)(=O)C1 1347146098 XXCWLXPWOICOOH-GFCCVEGCSA-N 302.396 -0.739 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N1CCN(C)C(=O)[C@H]1C 1349487465 VNHVVXMJAXLOQK-NEPJUHHUSA-N 309.366 -0.780 30 20 DBED N#Cc1ncn(CC(=O)NCc2nc(C(F)(F)F)no2)n1 1362543927 VWWYBEMGSJGZKR-UHFFFAOYSA-N 301.188 -0.132 30 20 DBED CO[C@]1(C(=O)NCCn2cc(C#N)c(O)nc2=O)CCSC1 1363005698 UCDKGBZNTMRUCG-CYBMUJFWSA-N 324.362 -0.541 30 20 DBED N#CC1(CS(=O)(=O)N2CCCC[C@@H]2CS(N)(=O)=O)CC1 1364021974 FHVARSFIUWLWKK-SNVBAGLBSA-N 321.424 -0.237 30 20 DBED C[C@H]1CN(C(=O)NCCn2cnc(C#N)n2)CC[S@](=O)C1 1365154954 LIDSOAXDKRYKKI-CWKPULSASA-N 310.383 -0.440 30 20 DBED COCCC(=O)NC[C@@]1(O)CCN(C(=O)c2cc(C#N)c[nH]2)C1 1394596884 NSXSYJFQHLNCOB-HNNXBMFYSA-N 320.349 -0.384 30 20 DBED C=C(Cl)CNC[C@H](O)CNC(=O)c1ccc(C(N)=O)nc1 1401580983 ZANCDWXOXOLMBI-JTQLQIEISA-N 312.757 -0.387 30 20 DBED N#Cc1c[nH]c(C(=O)NCC2(O)CN(Cc3cnsn3)C2)c1 1407396602 LJHOQYCDTZIVRI-UHFFFAOYSA-N 318.362 -0.285 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)COCc2nncn2C)C1 1407837133 YTLAEMPZJOSISJ-GMTAPVOTSA-N 320.353 -0.745 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1c[nH]c2nccc-2c1 1410129688 NIVDSBKTHBSQIA-BXKDBHETSA-N 315.333 -0.119 30 20 DBED CC(=O)NCC(=O)N1CC[C@H]1CNC(=O)c1cc(C#N)c[nH]1 1410545447 DUOVACURRDRYFZ-NSHDSACASA-N 303.322 -0.647 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)C[C@@H]2CCC(=O)NC2)CC1 1410804309 KSNWYTUJCGPRTH-QWRGUYRKSA-N 306.366 -0.173 30 20 DBED CNC(=O)NCCC(=O)NC1CN(C(=O)c2cc(C#N)c[nH]2)C1 1415988147 BULIEPRUQCIMBI-UHFFFAOYSA-N 318.337 -0.854 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](C)CNCc1nnc2n1CCOC2 1421673826 IHODHPWOVKOZPO-MNOVXSKESA-N 306.370 -0.190 30 20 DBED CNC(=O)Cc1noc(CN(C)CCN(C)C(=O)[C@H](C)C#N)n1 1422152903 PUJWNKFSFTWXED-SNVBAGLBSA-N 322.369 -0.592 30 20 DBED CCN(CCNC(=O)C[C@H]1CCN(C)C1=O)C(=O)[C@H](C)C#N 1429611629 NJCDVMUEMYCOMA-VXGBXAGGSA-N 308.382 -0.021 30 20 DBED CCc1nnc(N2CCO[C@H](C#N)C2)n1CCn1cncn1 1433346521 RENRZKGOSCAESW-LLVKDONJSA-N 302.342 -0.139 30 20 DBED CN(CCN(C)C1CC1)C(=O)CCn1cc(C#N)c(O)nc1=O 1433916615 KUINZNNEBFPHFI-UHFFFAOYSA-N 319.365 -0.237 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)c2cc(C#N)c[nH]2)C1 1434336873 NJSYNCNKQFUNHY-BMIGLBTASA-N 315.333 -0.261 30 20 DBED C[C@H](C#N)C(=O)NC1CN(Cc2nnnn2CC(F)(F)F)C1 1481551560 ZWAOPGOXZOUZHT-SSDOTTSWSA-N 317.275 -0.305 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H](CNC(=O)CCN1CCOCC1)C1CC1 1493623469 PVTOAFCIUGHUND-JSGCOSHPSA-N 322.409 -0.121 30 20 DBED C[C@@H](CNC(=O)[C@@H](C)C#N)NC(=O)c1cnn2c(=O)cc[nH]c12 1495020799 YNBCHBLKMBQKNK-IUCAKERBSA-N 316.321 -0.583 30 20 DBED CC(C)[C@@H](CNC(=O)CS(C)(=O)=O)NC(=O)[C@H](C)C#N 1500760726 MZLTZSFIGQRODE-NXEZZACHSA-N 303.384 -0.552 30 20 DBED COC(=O)[C@@H]1C[C@H](F)CN1c1cnc(C#N)c(-c2nn[nH]n2)n1 1579472338 YNZNPQUKKGZOCH-XPUUQOCRSA-N 318.272 -0.382 30 20 DBED C=C(CCC(=O)O)C(=O)N1CCOC[C@@H]1CNS(C)(=O)=O 1588618873 DAELAJCZNMDKCQ-JTQLQIEISA-N 320.367 -0.816 30 20 DBED C[C@@H](CNC(=O)NCCN/C(O)=C1\N=CC=CC1=O)C(=O)O 1589055098 ODBHFROGIHHKLH-PNLVODKCSA-N 310.310 -0.467 30 20 DBED N#CCN1CC[C@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1592677815 USPRSQAHRBFPAR-SECBINFHSA-N 300.326 -0.230 30 20 DBED N#Cc1nc(NC(=O)C[C@@H]2CCC(=O)NC2)[nH]c1-c1nn[nH]n1 1592683703 XBOWNAQXVVIVDY-LURJTMIESA-N 315.297 -0.684 30 20 DBED COC[C@]1(C(=O)O)CN(C(=O)c2cc(C#N)cn2C)CCO1 1593978747 WKZMYGDPYMGQJL-AWEZNQCLSA-N 307.306 -0.161 30 20 DBED CN(CCNC(=O)c1c[nH]c(C#N)c1)C(=O)[C@@H]1C[C@@H]1C(=O)O 1598492886 VCAALLLDZYHKHT-MNOVXSKESA-N 304.306 -0.205 30 20 DBED C#CCN(CC#C)S(=O)(=O)c1cccnc1-c1nn[nH]n1 1602719922 LJBDHCUFMRUTQT-UHFFFAOYSA-N 302.319 -0.481 30 20 DBED C=CCNC(=O)[C@@H](C)OC(=O)[C@@H](C)n1cnc(-c2nn[nH]n2)n1 1602864242 ZGBIDTHBXSKIKR-HTQZYQBOSA-N 320.313 -0.747 30 20 DBED N#CC1(C(=O)O)CCN(CCN2CCCS2(=O)=O)CC1 1608173797 BNMFBVSIYFVMCI-UHFFFAOYSA-N 301.368 -0.288 30 20 DBED CNC(=O)[C@@H]1CN(Cc2cnc3c(C#N)cnn3c2)CCO1 1645882055 GNNSOWWTBYSOJY-LBPRGKRZSA-N 300.322 -0.452 30 20 DBED COCCN(C(=O)NC[C@H](C)C#N)[C@H]1CCS(=O)(=O)C1 1649746668 VNOOKISCCRZKHV-MNOVXSKESA-N 303.384 -0.009 30 20 DBED C=CCNC(=O)[C@H](C)N(C)C[C@@H]1CCCN(C(=O)CC(N)=O)C1 1752501738 AWZBXBGWTOCIRP-STQMWFEESA-N 324.425 -0.277 30 20 DBED C[C@@H](NC(=O)C#CC1CC1)[C@H]1CCCN(CC(=O)NC(N)=O)C1 1752835192 CEEORRYOZCQQMS-YPMHNXCESA-N 320.393 -0.189 30 20 DBED C#CCN1CC[C@@H](CNC(=O)[C@@H](C)NS(=O)(=O)CC)C1 1753128944 KXXACJJVVMWXTN-NEPJUHHUSA-N 301.412 -0.615 30 20 DBED C#CCCN1CC[C@@H](CNC(=O)CN(C)S(=O)(=O)CC)C1 1753137209 GEIDIGYPKIYYQP-ZDUSSCGKSA-N 315.439 -0.271 30 20 DBED COc1ncc(C(=O)NC[C@H](C)CNCC(=O)NCC#N)cn1 1753638761 QXAGBLQGWIQHCO-SNVBAGLBSA-N 320.353 -0.920 30 20 DBED Cc1ccnn1CC(=O)NC[C@@H](NCC(=O)NCC#N)C(C)C 1753841149 UBICWFHAKDIETD-CYBMUJFWSA-N 320.397 -0.438 30 20 DBED C#CCNC[C@H]1CCC[C@H]1NC(=O)CN(C)S(=O)(=O)CC 1753899597 MLXVBDFRIQVCQM-CHWSQXEVSA-N 315.439 -0.224 30 20 DBED COCC#CCNC/C=C/CNC(=O)C[C@H]1CCC(=O)NC1 1754128144 CDUOLGCGDIMGNT-BAABZTOOSA-N 307.394 -0.186 30 20 DBED C=CCCCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)CN1C(=O)CNC1=O 1754430748 UUEONRQZIICUTE-UHIISALHSA-N 306.366 -0.307 30 20 DBED C#CCNC(=O)CN1CC(N(C)C(=O)CC2CCN(C)CC2)C1 1754583519 ZTRNVUUKZBYHME-UHFFFAOYSA-N 320.437 -0.390 30 20 DBED C[C@]1(NC(=O)COCC2CC2)CCN(CC(=O)NCC#N)C1 1754666940 IJHNRDKOEXKKMR-HNNXBMFYSA-N 308.382 -0.367 30 20 DBED C=CCCN1CC[C@@](O)(CNC(=O)c2cccc(C(N)=O)n2)C1 1754762004 HNHHNFHZYDNGGM-MRXNPFEDSA-N 318.377 -0.077 30 20 DBED C#CCN1CCC[C@@](CO)(NC(=O)COCc2nccn2C)C1 1754855585 SIWRVCFVMLBHAM-MRXNPFEDSA-N 320.393 -0.487 30 20 DBED COCCn1ncc(C(=O)N2CCO[C@@H](CNCC#N)C2)c1C 1755001777 FJLGMNCUVKZSGS-ZDUSSCGKSA-N 321.381 -0.208 30 20 DBED C#CCN[C@]1(CO)CCCN(C(=O)CS(=O)(=O)CCC)C1 1755092038 TUBOLFYHQXILIV-CQSZACIVSA-N 316.423 -0.613 30 20 DBED CC1(C)CN(CC(=O)NCC#N)CC[C@@H]1NC(=O)[C@@H]1CCOC1 1755137416 SCPNASGGKMAFIO-OLZOCXBDSA-N 322.409 -0.121 30 20 DBED CCS(=O)(=O)NCCN[C@@H](C)[C@H](C)NC(=O)C#CC1CC1 1755252217 IOCVQBIEAIATCG-RYUDHWBXSA-N 315.439 -0.178 30 20 DBED C#CCNC(=O)[C@H](C)NCCC[C@H](C)NC(=O)c1cnn(C)n1 1755516661 QCWAPNKGMVHZNV-RYUDHWBXSA-N 320.397 -0.559 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2cn(CC)nn2)[C@@H]1C 1755664406 NBHWERZNHXMPNG-NEPJUHHUSA-N 318.381 -0.760 30 20 DBED C=C[C@](C)(O)CC(=O)N(C)C[C@@H](O)CN(C)Cc1cnon1 1755800160 FHZYHHQLCHYIIH-JSGCOSHPSA-N 312.370 -0.352 30 20 DBED C[C@@H](C#N)C(=O)NCCOCCCNC(=O)[C@H]1CCC(=O)NC1 1756401360 HWUFWLMEWARGLE-RYUDHWBXSA-N 324.381 -0.689 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](NC(=O)[C@H](C)OC)[C@H](C)C1 1757059554 VQACVELXKOJJLQ-GRYCIOLGSA-N 309.366 -0.876 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](NC(=O)C2(C)CC2)[C@H](OC)C1 1757131318 CZJRNXDQFZHRJA-VXGBXAGGSA-N 321.377 -0.732 30 20 DBED Cc1nn[nH]c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC#N 1795080986 GLMSOOMWVNBQPV-DDFAGTSDSA-N 318.337 -0.770 30 20 DBED O=C(O)C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H]1C[C@@H](O)C1)C2 1801990432 YQLNGIPWKCZOLM-HALBRFILSA-N 320.345 -0.517 30 20 DBED C=C(C(=O)N1CC2(CCCN2C(=O)C(O)O)C1)C(F)(F)F 1841236296 HKJIGOBXYFJCJY-UHFFFAOYSA-N 308.256 -0.381 30 20 DBED CNC(=O)NC(=O)[C@@H](C)N1CCN(c2ccc(C#N)cn2)CC1 60481730 XXYZZASDUIYXCG-LLVKDONJSA-N 316.365 -0.081 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCC2(C(=O)OC)CC2)C1=O 274996473 NNHWOALHKSDUNM-UHFFFAOYSA-N 323.305 -0.967 30 20 DBED C=CCCS(=O)(=O)N1CC[C@@H](N2C[C@H](C(=O)O)CC2=O)C1 275125438 OOTZSIJGAJHVQT-GHMZBOCLSA-N 316.379 -0.100 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)NCCn1cc([N+](=O)[O-])cn1 282396418 YIVLZKSCKOCYAL-VIFPVBQESA-N 316.343 -0.140 30 20 DBED CC(C)(C)[C@@H](NCC#CCN[C@@H](C(N)=O)C(C)(C)C)C(N)=O 284240146 VQJXVJQVRUQCJJ-RYUDHWBXSA-N 310.442 -0.031 30 20 DBED C=CCN1CC[C@H](N2CCC[C@@](O)(Cn3ccnn3)C2)C1=O 284546501 LCNAJXHEWHINTI-ZFWWWQNUSA-N 305.382 -0.108 30 20 DBED N#Cc1cc(N2CCN(C(=O)CN3CCOCC3)CC2)ccn1 299693016 VCOWOALMXDVBJY-UHFFFAOYSA-N 315.377 -0.066 30 20 DBED Cn1c(O)ncc(/C(O)=N/CC2CCN(CCO)CC2)c1=O 328900409 ZPXBGSCJVMPYQU-UHFFFAOYSA-N 310.354 -0.505 30 20 DBED CC(C)[C@H](C#N)N1CCN(C(=O)CN(C)[C@@H]2COC[C@H]2O)CC1 329183142 OTLSOUZPSXSASD-RRFJBIMHSA-N 324.425 -0.630 30 20 DBED Cn1cc(N2CC[C@H](N/C(O)=N/C[C@H]3COCCO3)C2=O)cn1 329505492 HHEJJPKLWHFXNH-RYUDHWBXSA-N 323.353 -0.556 30 20 DBED C[C@@H]1CN(S(=O)(=O)N2CCO[C@H](C#N)C2)CC(C)(C)O1 336913112 JWIGBFGVERBVKC-GHMZBOCLSA-N 303.384 -0.045 30 20 DBED CCc1nn(C)cc1CNS(=O)(=O)N1CCO[C@H](C#N)C1 336933479 DFCKXWWMNAUGPJ-LLVKDONJSA-N 313.383 -0.459 30 20 DBED C[C@H]1[C@@H](C)N(C)CCN1S(=O)(=O)N1CCO[C@H](C#N)C1 336936968 GNNBRUXFJFWKAI-GRYCIOLGSA-N 302.400 -0.520 30 20 DBED Cc1cnccc1CCNS(=O)(=O)N1CCO[C@H](C#N)C1 336953923 XASVDMYXZAQGCE-CYBMUJFWSA-N 310.379 -0.009 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H]1CS(=O)(=O)C[C@H]1C 341969041 LJTLTADJNCUGLE-GMTAPVOTSA-N 323.440 -0.265 30 20 DBED N#CCCCCNC(=O)C(=O)N1CC[C@H](NC(=O)NC2CC2)C1 343152632 WQIDMKXOEFCRPP-LBPRGKRZSA-N 321.381 -0.141 30 20 DBED CCS(=O)(=O)N1CCN(S(=O)(=O)CCCC#N)[C@@H](C)C1 344888226 JMQBSFXSNOGDQK-NSHDSACASA-N 323.440 -0.024 30 20 DBED C=CCNC(=O)CNC(=O)c1ccc(S(N)(=O)=O)s1 347888114 BTKGGULKDHZMQM-UHFFFAOYSA-N 303.365 -0.573 30 20 DBED CCS(=O)(=O)N1CCC[C@H](C(=O)N2CCOC[C@H]2C#N)C1 408246439 MCHSSWBPIHOXPR-NWDGAFQWSA-N 315.395 -0.201 30 20 DBED C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NCCC#N 427651903 SAPUZUPKOJYBSY-VIFPVBQESA-N 324.362 -0.518 30 20 DBED CCOC(=O)N1CCN(C(=O)[C@H](C)N2CCO[C@H](C#N)C2)CC1 491520398 YOGBUNJWNIFODU-QWHCGFSZSA-N 324.381 -0.100 30 20 DBED CN(C)S(=O)(=O)c1ccc(CC(=O)NCC#CCO)cc1 570982247 CGYRSNJBJOOWPC-UHFFFAOYSA-N 310.375 -0.409 30 20 DBED N#C[C@H]1CC[C@@H](NC(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)C1 591796960 HALCEDKYCPMNOE-SCFAFGTESA-N 317.345 -0.043 30 20 DBED Cc1cc(C(N)=O)cc(S(=O)(=O)NCC(=O)NCC#N)c1 594779387 QOLGYJWPNYAPML-UHFFFAOYSA-N 310.335 -0.988 30 20 DBED CN(C)CCCN(CCC#N)C(=O)CNS(=O)(=O)N(C)C 596925270 CVZPDKJWMQOYFQ-UHFFFAOYSA-N 319.431 -0.924 30 20 DBED N#Cc1ccccc1OC[C@@H](O)CN[C@]1(C(N)=O)CCOC1 599454378 LZLPTVKFDRVGQK-SWLSCSKDSA-N 305.334 -0.468 30 20 DBED CN(C)S(=O)(=O)CCNC(=O)N1CCN(CCC#N)CC1 601614465 VHIUUONETFMLJA-UHFFFAOYSA-N 317.415 -0.881 30 20 DBED N#CCN(C(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)C1CC1 609167172 WZWVBTSFDQRVMK-CYBMUJFWSA-N 320.393 -0.318 30 20 DBED CC(C)[C@@H](C#N)N1CCN(C(=O)Cn2ncn(C)c2=O)CC1 611512692 DKGIMKNEQPQORZ-GFCCVEGCSA-N 306.370 -0.726 30 20 DBED C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N1CC[C@@](F)(C#N)C1 615646241 NLYODXXKNLXCBQ-NQBHXWOUSA-N 317.386 -0.042 30 20 DBED C=CCNC(=O)[C@@H](C)OC(=O)CCCN1C(=O)CN(C)C1=O 729675793 TUXHECXIHORRQI-SNVBAGLBSA-N 311.338 -0.106 30 20 DBED N#Cc1ccc(C(=O)NCCS(=O)(=O)N2CCOCC2)nc1 730748981 CZQSBLRVVGBKFD-UHFFFAOYSA-N 324.362 -0.655 30 20 DBED N#CCNC(=O)COC(=O)CNC(=O)c1ccc2c(c1)OCO2 731239104 LOUKRLUPSFYQCB-UHFFFAOYSA-N 319.273 -0.672 30 20 DBED C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)O[C@H](C#N)C1CC1 756296451 WFGSGOXCIGWYSS-GZMMTYOYSA-N 312.351 -0.068 30 20 DBED C#CCOCCOC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 762724113 DVUSIEUPHZSTIK-UHFFFAOYSA-N 317.301 -0.561 30 20 DBED C#C[C@H](NS(=O)(=O)c1cc(C(N)=O)n(C)c1)[C@H]1CCCO1 773059124 VRWRDXKMLOGDFD-CMPLNLGQSA-N 311.363 -0.417 30 20 DBED CN1C(=O)CN(C(=O)Cc2ccc(OCC#N)cc2)CC1=O 773677984 RIYWEUTXMLVMMA-UHFFFAOYSA-N 301.302 -0.041 30 20 DBED CC(C)[C@](C)(C#N)NC(=O)COC(=O)Cn1cc([C@H](C)O)nn1 777116742 WABQUOWJLXZSRA-HZMBPMFUSA-N 323.353 -0.071 30 20 DBED C=CCS(=O)(=O)CCNC(=O)NCCN1C(=O)CCC1=O 783003083 NZJDSVVRUNWUQL-UHFFFAOYSA-N 317.367 -0.965 30 20 DBED C#CCOCCNC(=O)C1CCN(S(=O)(=O)CC)CC1 784607677 XNRPUTCWPFHOJT-UHFFFAOYSA-N 302.396 -0.186 30 20 DBED C#C[C@@H](NC(=O)C(=O)NCCCn1cccn1)[C@@H]1CCCO1 787053316 VIULWXMICXURHI-OLZOCXBDSA-N 304.350 -0.314 30 20 DBED C=C(Br)CNC(=O)C(=O)N[C@@H](C)C[S@](C)=O 809221350 DCWMQYRYEWEQEJ-GYKQLYQFSA-N 311.201 -0.106 30 20 DBED C#C[C@@H](NC(=O)C(=O)N(CCO)C1CCOCC1)[C@@H]1CCCO1 809310670 DGEGMXZUGRRRJY-KGLIPLIRSA-N 324.377 -0.717 30 20 DBED C=CCS(=O)(=O)CCNS(=O)(=O)CC[C@@H]1CCOC1 815032260 RDRAVWOOEPDRBD-NSHDSACASA-N 311.425 -0.067 30 20 DBED N#Cc1cccnc1NCCNC(=O)[C@H]1CCS(=O)(=O)N1 845286045 MELKYLYXJNEOBS-SNVBAGLBSA-N 309.351 -0.827 30 20 DBED C=C[C@H](CO)NC(=O)CNC(=O)CNC(=O)OC(C)(C)C 856275935 IEXQFQKIRMNKOS-SECBINFHSA-N 301.343 -0.710 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CC[C@H](C(=O)O)[C@H](C)C1)[C@H]1CCCO1 861717077 WVCYDBCXOGLPRJ-MROQNXINSA-N 322.361 -0.147 30 20 DBED CN(C)c1ncc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](O4)[C@@H]3C2=O)cn1 872425062 KZUQIYFODLYCSZ-WYUUTHIRSA-N 313.317 -0.185 30 20 DBED CC(=O)N1C[C@H]2CN(S(=O)(=O)N(C)[C@H](C)CC#N)C[C@H]2C1 882634314 TWUYMWQEMAGYTE-RTXFEEFZSA-N 314.411 -0.125 30 20 DBED C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1OC 912395536 KIMYGHDWXBLCOZ-WISYIIOYSA-N 303.380 -0.104 30 20 DBED CN(C)S(=O)(=O)CCC(=O)N1CCN(C2CC2)[C@H](C#N)C1 913356765 SBBNNGXVNNICKM-GFCCVEGCSA-N 314.411 -0.533 30 20 DBED CN(C(=O)NCC#CCO)[C@@H]1CCN(CC(F)(F)F)C1=O 923780630 IYOVJDQVVIDBOZ-SECBINFHSA-N 307.272 -0.213 30 20 DBED C=CCN(CCOC)C(=O)C(=O)NCCO[C@@H]1CCOC1 932863433 QMKVQJMLPIEVNA-GFCCVEGCSA-N 300.355 -0.431 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](NC(=O)CN2CCCNC2=O)C1 938244822 SBMDOEQYHNEARI-MNOVXSKESA-N 307.354 -0.722 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CN2CCNC(=O)C2)[C@@H](C)C1 942560392 PIEAGAOMXXZTGR-UONOGXRCSA-N 306.410 -0.732 30 20 DBED CCn1ncc(C(=O)NC[C@@H]2CN(C(=O)[C@@H](C)C#N)CCO2)n1 944577689 HGCIHSYKPHLASL-WDEREUQCSA-N 320.353 -0.585 30 20 DBED Cc1nc(O)[nH]c1C(=O)NC[C@H]1CN(C(=O)[C@H](C)C#N)CCO1 944640369 KVPZQEOWZCJVGD-SCZZXKLOSA-N 321.337 -0.459 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(NC(=O)[C@H]2CCN(C)C2=O)CC1 948109354 DNOWSQZNHLEALV-CMPLNLGQSA-N 306.366 -0.268 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1ncc[nH]1 949828213 QSEOXNNVROKPSU-STQMWFEESA-N 315.377 -0.162 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]1CNC(=O)c1ccc2nnnn2c1 951063775 OEMGHFBFFIHCOH-ONGXEEELSA-N 313.321 -0.385 30 20 DBED C=CCN1CC[C@@H](N2CCN(C(=O)Cc3ncc[nH]3)CC2)C1=O 952409622 XZPXPHSZYWWRQR-CYBMUJFWSA-N 317.393 -0.117 30 20 DBED CN(C(=O)C(N)=O)C1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 954341924 GAXHNZWODIJUTH-UHFFFAOYSA-N 303.322 -0.565 30 20 DBED CC(=O)N1CC[C@@H](C(=O)N(C)C2CN(C(=O)C#CC3CC3)C2)C1 955003563 OWUVYGSDEWCUAW-CQSZACIVSA-N 317.389 -0.063 30 20 DBED CCn1cc(C(=O)N(C)C2CN(C(=O)C#CC3CC3)C2)nn1 955173746 XTQMGPIAEWTDPQ-UHFFFAOYSA-N 301.350 -0.006 30 20 DBED COc1cc(O)ncc1C(=O)NC[C@H]1CN(CC#N)C[C@H]1O 958413743 UDAZKTRHRYUUPO-GXSJLCMTSA-N 306.322 -0.658 30 20 DBED C#CCCN1C[C@@H](O)[C@@H](CNC(=O)c2cn(CC=C)nn2)C1 958471584 MNBNWJPFQJOCEI-GXTWGEPZSA-N 303.366 -0.490 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2CN(CC#CC)C[C@H]2O)nn1 958472844 ZCBMAHRLTVUKFT-GXTWGEPZSA-N 303.366 -0.490 30 20 DBED CC#CCN1C[C@@H](O)[C@H](CNC(=O)c2c[nH]c(C(N)=O)c2)C1 958683426 GIAVHXBHNJQGQK-DGCLKSJQSA-N 304.350 -0.841 30 20 DBED C#Cc1cncc(C(=O)NC[C@H]2COCCN2C(=O)COC)c1 964346326 FKBCLCFYQUCSES-AWEZNQCLSA-N 317.345 -0.334 30 20 DBED CC(=O)N1CC(N2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)C1 967209559 OUQMNVQDJWEUGG-UHFFFAOYSA-N 301.350 -0.125 30 20 DBED C[C@H](NC(=O)[C@@H]1CN2CC3CC2(CO1)C3)C1CN(CC#N)C1 970190068 LBGZTCWCDHCEHV-CVGUKDDFSA-N 304.394 -0.190 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)C[C@H]3CCC(=O)N3C)C2)C1 972493361 XRWBPKGEBALPMP-PBHICJAKSA-N 319.405 -0.066 30 20 DBED C#CCN1C[C@H]2[C@H](CNC(=O)c3nnn(C(C)(C)C)n3)[C@H]2C1 978227871 QMDNTZMGZKIVPY-CNDDSTCGSA-N 302.382 -0.031 30 20 DBED N#CCN1CCCN(C(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)CC1 981154288 OOLYAJZBHKSANB-LBPRGKRZSA-N 316.365 -0.180 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](CNC(=O)c2cnnc(O)c2)C1 983212609 QSFKMAKUNYHFNA-NXEZZACHSA-N 303.322 -0.080 30 20 DBED Cn1nnnc1CNC[C@H]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 983506327 LOFCLZWZBUNETG-HOMQSWHASA-N 314.353 -0.292 30 20 DBED CN(C(=O)[C@@H]1CCNC1=O)[C@@H]1CCCN(C(=O)C#CC2CC2)C1 984190704 SKUSOFPITZNHCS-ZIAGYGMSSA-N 317.389 -0.015 30 20 DBED C=CCN1CC[C@H](NC[C@H]2C[C@H](NC(=O)c3nc[nH]n3)C2)C1=O 984937600 VPJAYOXILOJTJI-SRVKXCTJSA-N 318.381 -0.310 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)c3nc[nH]n3)C[C@H]2C1 986593580 IKSAXCIVHWOCBP-AXFHLTTASA-N 302.338 -0.115 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)c3cnn[nH]3)C[C@H]2C1 986597802 KRCMEHNFGVYZNU-MXWKQRLJSA-N 302.338 -0.115 30 20 DBED C=CCN1CC[C@@]2(NC(=O)C[C@@H]3NC(=O)NC3=O)CCC[C@H]12 991101139 UCIFXDMLIPLYIM-PGUXBMHVSA-N 306.366 -0.116 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)COC)C[C@H]2O)nc1 991640364 PZGGHJWFINJPDW-TZMCWYRMSA-N 317.345 -0.599 30 20 DBED CC(C)C(=O)N[C@H]1CC(=O)N(C2CN(C(=O)C#CC3CC3)C2)C1 995466418 DFAXVSLNDNFKGA-ZDUSSCGKSA-N 317.389 -0.016 30 20 DBED C=C1CCC(C(=O)NC2CN(C(=O)c3nnn(C)n3)C2)CC1 999112380 FVVRRIIIRLROPE-UHFFFAOYSA-N 304.354 -0.103 30 20 DBED C[C@@H](C#N)C(=O)N1CC(CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 1002883745 KUOKTBYTMJMEEW-DMDPSCGWSA-N 308.382 -0.560 30 20 DBED C[C@@]1(C(=O)N2CCN(C(=O)C#CC3CC3)CC2)CCC(=O)NC1 1011108030 XOSLHCZCRWSAES-QGZVFWFLSA-N 317.389 -0.013 30 20 DBED C=CC(C)(C)C(=O)N1CCN(C(=O)CN2C(=O)CNC2=O)CC1 1011914158 AIYNVMKJFOHXHX-UHFFFAOYSA-N 322.365 -0.579 30 20 DBED N#Cc1cc(C(=O)N2C[C@H]3C(NC(=O)c4cnn[nH]4)[C@@H]3C2)c[nH]1 1013385708 MFQUVMBUOQUZJC-NXEZZACHSA-N 311.305 -0.495 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]2CN(C(=O)Cc3nc[nH]n3)C[C@H]21 1022567046 PDFFMOZKQZPFMB-GARJFASQSA-N 302.338 -0.434 30 20 DBED C=CCCn1cc(C(=O)NC2CCC(NCC(N)=O)CC2)nn1 1026573653 NMUJXHMGFFXEBJ-UHFFFAOYSA-N 320.397 -0.030 30 20 DBED C#CCCN1CC[C@H](CNC(=O)c2nccnc2C(N)=O)C1 1028975092 ZCKRSWXHCJIHBU-LLVKDONJSA-N 301.350 -0.350 30 20 DBED C#Cc1ccc(C(=O)NC2CN(Cc3nc(=O)n(C)[nH]3)C2)cc1 1030776536 NZPNKMCMJCAXIF-UHFFFAOYSA-N 311.345 -0.296 30 20 DBED C#CCN1CCC(C(=O)NC2CN(Cc3nncn3C)C2)CC1 1031436035 PUBIPCVMASIQTF-UHFFFAOYSA-N 316.409 -0.539 30 20 DBED C=CCN1CC(CNC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 1031888219 BCNUBDVRJXEOIE-UHFFFAOYSA-N 302.342 -0.459 30 20 DBED C=CCn1cc(C(=O)N2C[C@@H]3C[C@H]2CN3[C@@H](CC)C(N)=O)nn1 1032670349 VMIGXSNSPUEAJY-GVXVVHGQSA-N 318.381 -0.373 30 20 DBED C=CCn1cc(C(=O)N(CC)[C@@H]2CCN(CC(N)=O)C2)nn1 1033980551 VHPPJLSRSODOSB-LLVKDONJSA-N 306.370 -0.514 30 20 DBED Cn1cncc1[C@@H]1C[C@H]1C(=O)NC[C@H]1CN(CC#N)CCO1 1035519526 XLNZCKFCBKOZGF-YNEHKIRRSA-N 303.366 -0.136 30 20 DBED N#Cc1ccc(C(=O)NC[C@H]2CCN2[C@@H]2CCCNC2=O)[nH]1 1038172260 GHIKHKOIIDVKTG-DGCLKSJQSA-N 301.350 -0.031 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC[C@@](O)(CNC(=O)c2ncc[nH]2)C1 1039659617 DHABLNILFNPDCM-HUUCEWRRSA-N 322.365 -0.570 30 20 DBED C=CCCC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2CCCNC2=O)C1 1040125307 XLIYQGPUJCEVAM-MLGOLLRUSA-N 323.393 -0.442 30 20 DBED Cc1nnccc1C(=O)NC[C@@]1(O)CCN(C(=O)[C@@H](C)C#N)C1 1040397413 UDSAOQJKORUKLJ-BONVTDFDSA-N 317.349 -0.362 30 20 DBED C[C@@H]1CN(C(=O)C(N)=O)CC[C@H]1CNc1ccc(C#N)nn1 1040444131 YAKSQUUXXVDBKN-ZJUUUORDSA-N 302.338 -0.270 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)c2cnccn2)C1 1040764104 UUBYXPPPCNYOGK-HZMBPMFUSA-N 303.322 -0.671 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(c2ncc(F)cn2)C[C@H]1O 1041349779 KSUQWHTXHFPCPS-LPWJVIDDSA-N 322.340 -0.128 30 20 DBED C#CCCN1CC[C@@]2(CCN(C(=O)Cn3ncn(C)c3=O)C2)C1 1041423599 UQWWCMZARMUMPU-MRXNPFEDSA-N 317.393 -0.471 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)c2ccc(C)nc2)C1 1041497850 BFDWUWNDRLJJNB-UHFFFAOYSA-N 319.361 -0.104 30 20 DBED N#Cc1cncc(N[C@@H]2C[C@H](NC(=O)C(N)=O)C23CCC3)n1 1041612654 RXBQDRUGCLAVGM-ZJUUUORDSA-N 300.322 -0.327 30 20 DBED CS[C@H](C)C(=O)NCC1(O)CN(C(=O)CSCC#N)C1 1041616996 JSIYZUKMUFKNIY-SECBINFHSA-N 317.436 -0.316 30 20 DBED C[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1NC(=O)[C@H]1CCC(=O)N1 1041794408 GPJQBCBGADVIBI-GMTAPVOTSA-N 314.349 -0.432 30 20 DBED C=CCCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)COC)C1 1041869411 IJNSQVKFVXVLEO-NSHDSACASA-N 300.355 -0.697 30 20 DBED C=CCN1CC[C@H]2CCN(C(=O)CN3C(=O)CN(C)C3=O)C[C@@H]21 1042346179 PPNGUWJVIMLDBJ-STQMWFEESA-N 320.393 -0.011 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)c2ccn(C)c2)C1 1042543869 DZQLUQAMZITAFY-GFCCVEGCSA-N 319.361 -0.634 30 20 DBED Cn1ccc(CC(=O)NCC2(O)CN(C(=O)C#CC3CC3)C2)n1 1042986774 ZAEOQMREHIHLQK-UHFFFAOYSA-N 316.361 -0.935 30 20 DBED N#Cc1cnc(N2C[C@H](O)[C@H](NC(=O)[C@@H]3CCOC3)C2)c(F)c1 1043864928 DODIXRWZIPCUMC-RTXFEEFZSA-N 320.324 -0.205 30 20 DBED N#Cc1nccc(N2C[C@H](O)[C@H](NC(=O)[C@H]3C[C@@H]3C(F)F)C2)n1 1043923105 MQJJPNSZWPZUJZ-QEYWKRMJSA-N 323.303 -0.085 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)Cc3ncc[nH]3)C2)nc1 1044122836 MNEIPWVDEWTCPZ-NEPJUHHUSA-N 312.333 -0.415 30 20 DBED C#CCN1CC[C@@H](N2CCN(C(=O)[C@@H]3COCCN3C)CC2)C1 1046021598 ALLAHUCWGKIMKJ-CVEARBPZSA-N 320.437 -0.831 30 20 DBED CC(C)c1cc(C(=O)NCC2(O)CN(C(=O)[C@H](C)C#N)C2)n[nH]1 1047074752 UEVDKTQXOBPRCP-SNVBAGLBSA-N 319.365 -0.004 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3[nH]nnc3c2)C1 1047409697 SRGMUMFBWPEKJC-STQMWFEESA-N 314.349 -0.507 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cc3n(n2)CCCC3)C1 1047420847 RQGMSPRMPPNNHG-GJZGRUSLSA-N 302.378 -0.030 30 20 DBED COc1ccncc1CC(=O)N(C)[C@H]1CN(CC#N)C[C@@H]1O 1047424996 COSZKLQTYHKUKU-STQMWFEESA-N 304.350 -0.340 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CN(C(C)C)CCO2)C1 1047499579 NGIVWGQWKZFAFH-KKUMJFAQSA-N 309.410 -0.768 30 20 DBED CN(C(=O)[C@H]1CCCc2nn[nH]c21)[C@H]1CN(CC#N)C[C@@H]1O 1047505812 XTYNEWBRSFTFHI-DLOVCJGASA-N 304.354 -0.748 30 20 DBED CN(C(=O)C#CC1CC1)[C@H]1CN(C(=O)c2cnon2)C[C@@H]1O 1048824516 CURWGBOECXJKHF-RYUDHWBXSA-N 304.306 -0.873 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCN([C@H]3CCC(=O)NC3=O)CC2)C1 1050463085 INVCHNJRHWKTJH-NEPJUHHUSA-N 318.377 -0.124 30 20 DBED C#CCCN1CCOC[C@@H]1CNC(=O)[C@@H]1CCc2nn[nH]c2C1 1051208901 FNGPJNMOTCGCII-OLZOCXBDSA-N 317.393 -0.250 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)c1noc2c1COCC2 1051255879 UMVZMKRUFBXMNM-LLVKDONJSA-N 305.334 -0.189 30 20 DBED C#CCCN1CCC[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)CC1 1052946514 VBLIQVXBLRMIKF-QWHCGFSZSA-N 313.423 -0.328 30 20 DBED C[C@H](C#N)C(=O)N1CCOC2(CN(Cc3nccn3C)C2)C1 1053193904 VBENJEPZIOMHEK-GFCCVEGCSA-N 303.366 -0.007 30 20 DBED C#CCN1CC2(C1)CN(C(=O)C[C@@H](C)N1CCCC1=O)CCO2 1053506867 TVNLAZZUTHAHDL-CQSZACIVSA-N 319.405 -0.066 30 20 DBED N#CCN1CC2(C1)CN(C(=O)C1CCN(C(N)=O)CC1)CCO2 1053528685 OEUWMVLPSXKVMM-UHFFFAOYSA-N 321.381 -0.786 30 20 DBED C=CCCN1CC2(C[C@@H](NC(=O)[C@H]3CN(C)CCO3)CO2)C1 1053766408 MNSXXEJHRTUCRV-ZIAGYGMSSA-N 309.410 -0.147 30 20 DBED Cc1cccn(CC(=O)N[C@H]2COC3(C2)CN(CC#N)C3)c1=O 1053801911 VIXIZWKXCBUUBD-CYBMUJFWSA-N 316.361 -0.360 30 20 DBED C=C(C)CCC(=O)N1C[C@H]2CN(C(=O)Cn3cnnn3)C[C@H]2C1 1055158385 KNCRJPBKSHQBCQ-BETUJISGSA-N 318.381 -0.054 30 20 DBED C=CCOCC(=O)N1CCC[C@@](CO)(NC(=O)C(F)F)C1 1055680220 QSIPKUODVPHLAA-CYBMUJFWSA-N 306.309 -0.076 30 20 DBED C#CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)c1cnc(C)[nH]1 1057583665 WKZUZCCWASZHGL-NSHDSACASA-N 322.365 -0.693 30 20 DBED C=CC(C)(C)CC(=O)N(CCO)CCNC(=O)c1nc[nH]n1 1057695169 YHOOQCNBICYNBP-UHFFFAOYSA-N 309.370 -0.042 30 20 DBED CC(C)(C)C#CC(=O)NCCN(CCO)C(=O)Cn1nccn1 1057700488 FLUPBKGLSGMBTP-UHFFFAOYSA-N 321.381 -0.735 30 20 DBED Cn1nnc(C(=O)N2CCC[C@H](N=c3cc[nH]cc3C#N)C2)n1 1057738411 SAKAVOGLHUYKFW-NSHDSACASA-N 312.337 -0.385 30 20 DBED N#Cc1cnc(N2CCC[C@@H](NC(=O)[C@@H]3CNC(=O)N3)C2)cn1 1058231248 CIDACPWMFGRNJN-KOLCDFICSA-N 315.337 -0.885 30 20 DBED N#Cc1cnc(N2CC[C@@H](NC(=O)C[C@@H]3CCNC3=O)C2)cn1 1058465293 OVBXLUBSXLUIRA-WDEREUQCSA-N 314.349 -0.431 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)[C@@H]1CN(C)C[C@H]1C 1058849444 UHYVJKOPPGJRQV-HUUCEWRRSA-N 323.437 -0.219 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@H](C)OC 1058874481 YVHZKJCEKVDCBO-XQQFMLRXSA-N 314.382 -0.451 30 20 DBED Cc1cc(C#N)nc(NC[C@@H]2CCN(C(=O)CC(N)=O)C2)n1 1060834359 LNKOFHAFFFJLSZ-JTQLQIEISA-N 302.338 -0.208 30 20 DBED N#Cc1cncc(N2CCO[C@H](CNC(=O)[C@H]3CCOC3)C2)n1 1063619666 YEEWZBWRUMSCLH-WCQYABFASA-N 317.349 -0.294 30 20 DBED C=CCCC(=O)N1CCO[C@@H](CNC(=O)c2nccnc2N)C1 1064956214 TVPYFXZZZLHGKV-NSHDSACASA-N 319.365 -0.018 30 20 DBED C=CCCC(=O)N1CCO[C@H](CNC(=O)c2c[nH]c(=O)cn2)C1 1064957701 OQDIHSBZOXEICS-LLVKDONJSA-N 320.349 -0.307 30 20 DBED C=CCOCC(=O)N1CCO[C@H](CNC(=O)Cc2cnoc2)C1 1064972047 OJVGCHWVTXVXRO-CYBMUJFWSA-N 323.349 -0.237 30 20 DBED O=C(Cn1cncn1)NC[C@@H]1CN(C(=O)C#CC2CC2)CCO1 1065137425 SYGSXLVCIXBCFD-CYBMUJFWSA-N 317.349 -0.965 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CN(C(=O)Cc2cnc[nH]2)CCO1 1065669988 AQJKUGYFYKLKSJ-PWSUYJOCSA-N 305.338 -0.545 30 20 DBED CN(CCCN(C)C(=O)[C@H]1CCNC1=O)C(=O)C#CC1CC1 1067381040 ZTMVAVHXHUBLFA-ZDUSSCGKSA-N 305.378 -0.157 30 20 DBED CCc1nc(C#N)cc(N2CC[C@@H](NC(=O)C(N)=O)[C@@H](C)C2)n1 1067429885 OWGGCNSHSVLCBQ-GXSJLCMTSA-N 316.365 -0.273 30 20 DBED N#Cc1ccc(NC[C@H]2C[C@H](NC(=O)Cn3cncn3)C2)nn1 1068490490 WBHDPOYJXJSMFQ-UMSPYCQHSA-N 312.337 -0.053 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1COC2(C1)CN(C(=O)c1ncccn1)C2 1069001933 ALCKTBVBRFSJQR-MNOVXSKESA-N 315.333 -0.264 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H]1CCC[C@H]2CN(C(=O)C(N)=O)C[C@@H]21 1069318895 MKIKGLWGXWAQMW-VHRBIJSZSA-N 313.361 -0.101 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2c(C)ncn2C)C1 1069951561 WNOHABBFTBVLSE-OLZOCXBDSA-N 313.365 -0.391 30 20 DBED CCC(=O)NCC(=O)NCC1(NC(=O)[C@@H](C)C#N)CCOCC1 1070230990 KOPQKCRVRWRUQW-NSHDSACASA-N 324.381 -0.546 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)c2cnnn2C)CCOCC1 1070231070 MIIHHFNHUUFQEK-JTQLQIEISA-N 320.353 -0.630 30 20 DBED Cn1ncc(C(=O)NCc2c[nH]nc2[C@@H]2CCN(CC#N)C2)n1 1070431334 RTKHKBPAJHCCKB-SNVBAGLBSA-N 314.353 -0.219 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC[C@@H](NC(=O)CNC(C)=O)C1 1070726577 CXDKJUSFVWETNV-DGCLKSJQSA-N 309.366 -0.732 30 20 DBED C#CCOCCC(=O)N1CCC[C@@H](NC(=O)Cn2nccn2)C1 1070727938 AAXMQYAXLHPFGE-CYBMUJFWSA-N 319.365 -0.575 30 20 DBED C=CCN1C[C@H]2C[C@H]3CN(C(=O)[C@H]4CCNC4=O)C[C@@]3(C1)O2 1070836459 XNXZCSXWHIDCPB-RSUWNVLCSA-N 305.378 -0.390 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCCN(C(=O)c2nc[nH]n2)C1 1071094113 OKJGMPJBESBXPG-LLVKDONJSA-N 305.338 -0.435 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CC[C@@H](C)N(CC(N)=O)C2)nn1 1071883387 KJLMJPKLBHTHHP-GHMZBOCLSA-N 306.370 -0.468 30 20 DBED C#CCOCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)Cn2nccn2)C1 1072101632 QBOSLPHGCFYFKR-OLZOCXBDSA-N 319.365 -0.719 30 20 DBED C#CCN1CCC2(C1)CN(C(=O)C[C@H]1CCS(=O)(=O)C1)C2 1072903290 XMNVOFXKVYCHJF-CYBMUJFWSA-N 310.419 -0.021 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](NC(=O)COC)C(C)(C)C1 1073284446 KVVTVRCEGRRLMS-LBPRGKRZSA-N 323.393 -0.484 30 20 DBED CC#CCN1CCCO[C@H](CNC(=O)C2CN(C(C)=O)C2)C1 1073585460 JCQBOYZWKHAQMZ-OAHLLOKOSA-N 307.394 -0.305 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)[C@H]2CCN(C(C)=O)C2)C1 1073871346 HGAYPSBTXKNJAD-GJZGRUSLSA-N 307.394 -0.305 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CCN(C(=O)C#CC2CC2)C[C@H]1C 1073909447 HEMHKEGAWQSXCM-DGCLKSJQSA-N 305.378 -0.111 30 20 DBED CCn1ncc(C(=O)N2CC[C@H]3OCCN(CC#N)[C@@H]3C2)n1 1074236647 PTJUOHQKZQKWLM-CHWSQXEVSA-N 304.354 -0.263 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(O)(CNC(=O)CC(C)(C)O)CC1 1074705776 ZAYSFHBVVMVQIA-NSHDSACASA-N 311.382 -0.223 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H](C)CCNC(=O)[C@H]1CCC(=O)N1 1075931231 NOJVOPPVFCRMSU-SDDRHHMPSA-N 311.382 -0.133 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)[C@H](C)SC 1076218104 WCYVIAWAZOVLGA-QWRGUYRKSA-N 313.423 -0.112 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2csc(-c3ncc[nH]3)n2)C1 1077414069 QBHDJNABJIKOLM-PSASIEDQSA-N 318.362 -0.168 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2ccc(N3CCCC3)nc2)C1 1077847741 UIPKUSJCHXEVGK-ZIAGYGMSSA-N 315.377 -0.020 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)c2cccc(C(=O)NC)c2)C1 1078201937 WLESQSSNPGNFOL-HUUCEWRRSA-N 315.373 -0.156 30 20 DBED C[C@H](C#N)C(=O)N1CCCO[C@H](CNCc2cnnn2C)C1 1078358504 QUOLKLCBCAVRSE-DGCLKSJQSA-N 306.370 -0.318 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2c[nH]nc2C)C[C@@H]1O 1081340438 CNOOVXSCTAKPEC-AAEUAGOBSA-N 322.365 -0.530 30 20 DBED C#CCCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)CC(C)(C)O)C1 1081450589 VXYCKYKYMPCNON-CHWSQXEVSA-N 310.394 -0.114 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)c2cncnc2)C[C@H]1O 1081463445 NWKIMCILHNZWCU-UONOGXRCSA-N 316.361 -0.315 30 20 DBED Cc1c[nH]c(C(=O)NC[C@@H]2CN(C(=O)C#CC(C)C)C[C@H]2O)n1 1081520993 VLMDHYYHARXOEY-CHWSQXEVSA-N 318.377 -0.073 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cnc2n1CCC2 1083108926 XCCJCJKFYXJGBA-QWHCGFSZSA-N 301.350 -0.122 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2ccc(CNC(N)=O)cc2)C1 1084043434 SZTABZJXBBJHEF-OLZOCXBDSA-N 317.349 -0.847 30 20 DBED C[C@@H](C(N)=O)N1CC[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)[C@@H]2C1 1084283620 HVSAGEMUPVNHLR-OPQQBVKSSA-N 301.350 -0.094 30 20 DBED N#CCN1CC[C@@H]2CCN(C(=O)CC[C@H]3NC(=O)NC3=O)C[C@@H]21 1085089705 XUUSWPYRQXTBGI-UTUOFQBUSA-N 319.365 -0.579 30 20 DBED C#CCN[C@H]1C[C@H](CNC(=O)C2CC3(C2)CS(=O)(=O)C3)C1 1086400686 RUKUSTHCNTWFLP-AULYBMBSSA-N 310.419 -0.071 30 20 DBED COc1cc(OC)nc(C(=O)N[C@H]2CCN(CC#N)C[C@H]2O)n1 1090362841 FDWFJXLYZOGKHN-VHSXEESVSA-N 321.337 -0.818 30 20 DBED Cc1cc(C#N)nc(N2C[C@@H](O)[C@H](NC(=O)CC(C)(C)O)C2)n1 1090413343 PJKWVMSWUGXBSS-VXGBXAGGSA-N 319.365 -0.517 30 20 DBED CCN(C)CCC(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@H]1O 1090473777 UFWMHKKLLGUXQB-UKRRQHHQSA-N 317.393 -0.039 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(c2nc(C)ncc2C)C[C@H]1O 1090488743 OOXLPXKRRSOLHK-IACUBPJLSA-N 318.377 -0.203 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)c2nc3ncccn3n2)[C@@H](O)C1 1090657832 IHEDBLGGOXGSTD-RYUDHWBXSA-N 316.365 -0.135 30 20 DBED CN(C)c1ccc(C(=O)N[C@H]2CCN(CC#N)C[C@H]2O)nc1 1090840045 VTOHPUWWQUEOQI-GXTWGEPZSA-N 303.366 -0.164 30 20 DBED CNC(=O)CC(=O)N[C@H]1CCN(c2ccc(C#N)cn2)C[C@@H]1O 1092149343 XNMQETKJUUNGRZ-RYUDHWBXSA-N 317.349 -0.855 30 20 DBED CC#CCN1C[C@@H]2CN(C(=O)Cn3c(O)nnc3O)C[C@]2(C)C1 1092232416 LRXZMPNVTVOQAY-ABAIWWIYSA-N 319.365 -0.507 30 20 DBED N#Cc1nccnc1N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CNC(N)=O 1092799635 AVDCNEUEZAQLAZ-YWVKMMECSA-N 315.337 -0.758 30 20 DBED COC(=O)NCC(=O)N[C@H]1[C@@H]2CN(c3nccnc3C#N)C[C@@H]21 1093239679 MXUBAADDXDRGLF-GDGBQDQQSA-N 316.321 -0.745 30 20 DBED C#CCO[C@H](C)C(=O)NC1[C@@H]2CN(c3cncc(C#N)n3)C[C@@H]12 1093312476 YBVHVIUMRXWCRQ-RAIGVLPGSA-N 311.345 -0.063 30 20 DBED C#CCCN1CC(n2cc(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])nn2)C1 1094290957 KZNQPFXLEPHJEV-CHWSQXEVSA-N 318.337 -0.561 30 20 DBED Cc1c[nH]nc1C(=O)N1CCN(CC#N)[C@H]2CS(=O)(=O)C[C@H]21 1094631303 IQNGOWZBDINJET-WDEREUQCSA-N 323.378 -0.835 30 20 DBED CN1C[C@@H](C(=O)NCCCNc2ccc(C#N)nn2)NC1=O 1094709216 LOJTXJIIORSWFN-JTQLQIEISA-N 303.326 -0.710 30 20 DBED C=C(Cl)CN1CC(N2C[C@H](NC(=O)c3nc[nH]n3)CC2=O)C1 1094797133 ILQPPABPZCNRLA-SECBINFHSA-N 324.772 -0.428 30 20 DBED CN(CCCNC(=O)[C@@H]1CCNC1=O)c1cncc(C#N)n1 1095696750 LRHHXQVKYLNVSO-NSHDSACASA-N 302.338 -0.573 30 20 DBED CS(=O)(=O)CC(=O)N[C@H]1CCCN(c2cncc(C#N)n2)C1 1096149653 DICWCZNCVAVXEF-JTQLQIEISA-N 323.378 -0.522 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCN(c2ccnc(C#N)n2)C1 1096359581 DKXWRSAKHISJIE-LLVKDONJSA-N 312.333 -0.817 30 20 DBED N#Cc1ccc(N[C@H](CNC(=O)Cn2cncn2)C2CC2)nn1 1096675218 DDAOIBNFMAEBDC-GFCCVEGCSA-N 312.337 -0.053 30 20 DBED CNC(=O)CCCC(=O)N1CC[C@H](N=c2cc[nH]c(C#N)n2)C1 1096937021 DYDUVBPUDLOIPQ-NSHDSACASA-N 316.365 -0.301 30 20 DBED CCN1CCO[C@@H](C(=O)NC[C@@H](C)Nc2ccc(C#N)nn2)C1 1097874228 DXSVOPXPALXGOT-DGCLKSJQSA-N 318.381 -0.014 30 20 DBED C[C@@H](C(=O)NC[C@@H](C)Nc1cncc(C#N)n1)N1CCOCC1 1097925909 UXUGOEGOFPTABE-NEPJUHHUSA-N 318.381 -0.014 30 20 DBED C#CCN(CCO)C1CCN(C(=O)c2cc3n(n2)CCO3)CC1 1098394043 SIYYVGSLJYRJDY-UHFFFAOYSA-N 318.377 -0.192 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CCC(=O)NC1)Nc1nccnc1C#N 1098398186 YSAODORZJOIVST-VHSXEESVSA-N 302.338 -0.209 30 20 DBED C=CCCC(=O)N1CC[C@@H](n2cc(CN[C@@H](C)C(N)=O)nn2)C1 1098634428 RZCHKCFYNZINRN-WCQYABFASA-N 320.397 -0.019 30 20 DBED C[C@H](CCNC(=O)CS(C)(=O)=O)N=c1cc[nH]cc1C#N 1098852891 MIHZAIWGFZTGTQ-SNVBAGLBSA-N 310.379 -0.274 30 20 DBED C[C@@H](CCNC(=O)c1nnn(C)n1)Nc1nccnc1C#N 1099619342 UXUWROSFFOZBEX-QMMMGPOBSA-N 301.314 -0.508 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2cc(C)no2)[C@H](O)C1 1099654702 QOTKWJNUGQEPIU-CHWSQXEVSA-N 307.350 -0.202 30 20 DBED COCC#CCN1CC[C@H](NC(=O)Cn2cc(C)cn2)[C@@H](O)C1 1099712964 RYTKDXZMUVCMEO-GJZGRUSLSA-N 320.393 -0.607 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2coc(C)n2)[C@@H](O)C1 1099792516 VUQAKNXRVOIYFK-OCCSQVGLSA-N 307.350 -0.202 30 20 DBED COCC#CCN1CC[C@H](NC(=O)CC2=CCOCC2)[C@H](O)C1 1099988496 IZQMYTFKFCEHQG-JKSUJKDBSA-N 322.405 -0.076 30 20 DBED CN(CCNC(=O)CNC(=O)C1CC1)c1cnc(C#N)cn1 1099997668 CNQDWFGGYXQJNT-UHFFFAOYSA-N 302.338 -0.573 30 20 DBED CN(CCNC(=O)CN1CCOCC1)c1nccnc1C#N 1100065890 XHMISJPBJVRFDC-UHFFFAOYSA-N 304.354 -0.767 30 20 DBED CN(CCNC(=O)CN1C(=O)CNC1=O)c1ccc(C#N)cn1 1100095694 BACLFEQZDYKWKN-UHFFFAOYSA-N 316.321 -0.943 30 20 DBED CN(CCNC(=O)[C@@H]1CCCNC1=O)c1cncc(C#N)n1 1100185348 VVIZLZCPJYVMAP-LLVKDONJSA-N 302.338 -0.573 30 20 DBED CC(C)[C@@H](C(=O)NCC1CC(NCC(=O)NCC#N)C1)N(C)C 1100423312 CBLXGUDKIZQWTQ-PIMMBPRGSA-N 323.441 -0.303 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](C)[C@H](CNC(=O)c2nc[nH]n2)C1 1102473370 WVQWJRZXMLLIBL-IJLUTSLNSA-N 318.381 -0.760 30 20 DBED CC#CCN1C[C@@H](C)[C@H](CNC(=O)CC[C@@H]2NC(=O)NC2=O)C1 1102563120 KGLWWQWJDFMRRQ-UPJWGTAASA-N 320.393 -0.318 30 20 DBED CC(C)N(C)CC(=O)NC[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1102601198 QFDRZYVGXGWDOK-ZIAGYGMSSA-N 323.441 -0.350 30 20 DBED CC(=O)N[C@@H](C)C(=O)N(C)[C@@H]1CCN(c2cncc(C#N)n2)C1 1102667945 AQGTULCPWMOFSB-GXFFZTMASA-N 316.365 -0.090 30 20 DBED CC[C@@H](CNC(=O)Cn1cnnn1)N=c1cc(C)[nH]cc1C#N 1102969180 XBZQZMLBPTYBKF-LBPRGKRZSA-N 314.353 -0.323 30 20 DBED CC[C@@H](CNC(=O)[C@@H]1COC(=O)N1)Nc1cncc(C#N)n1 1103053305 RDKJLCKJTOVLSE-WPRPVWTQSA-N 304.310 -0.237 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCC(=O)N1)CNc1cnc(C#N)cn1 1103901873 OEYAEVJCJBKGNI-MWLCHTKSSA-N 302.338 -0.209 30 20 DBED C[C@H](CNC(=O)[C@H]1CCN(C)C1=O)CNc1ccc(C#N)nn1 1104158795 CIMVDRDDAJVNBZ-CMPLNLGQSA-N 316.365 -0.009 30 20 DBED Cc1nc[nH]c1CC(=O)NC[C@H](O)CN=c1cc[nH]cc1C#N 1105921151 YIHPDINPBAYIJP-GFCCVEGCSA-N 314.349 -0.462 30 20 DBED C#CCNC(=O)CC(=O)N(CC)CCN=c1cc[nH]cc1C#N 1106730143 GYGGTLSYPQFRFT-UHFFFAOYSA-N 313.361 -0.225 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@]1(C)CN(Cc2nncn2C)CCO1 1107819479 PYEUSMONCUYHAL-FZMZJTMJSA-N 306.370 -0.318 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)[C@@H](CCC)OC)CC2=O)C1 1108560919 PWMAOUXYCWZSOS-GXTWGEPZSA-N 307.394 -0.164 30 20 DBED C=CCCOCC(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1 1108594681 XSPBJAYCJZUDMF-GFCCVEGCSA-N 306.366 -0.496 30 20 DBED C[C@H](CN(C)c1nccnc1C#N)NC(=O)[C@@H]1CCNC1=O 1109204824 CCDFMRSPDFEPKV-NXEZZACHSA-N 302.338 -0.575 30 20 DBED C=CCNC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CNC(N)=O 1110268418 GPTMSPRNNPIHSR-KKOKHZNYSA-N 323.397 -0.933 30 20 DBED Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCC#N)on1 1110283718 NTELMUBPMBFDBS-UTUOFQBUSA-N 317.349 -0.042 30 20 DBED N#Cc1ccc(N2CC[C@@](O)(CNC(=O)c3cnco3)C2)nn1 1111121673 LPKTXTCIABUSOB-CQSZACIVSA-N 314.305 -0.293 30 20 DBED C#CCNC(=O)CNC[C@]12CCC[C@H]1CN(C(=O)CCOC)C2 1112227699 XABOXEXGWGNSDP-YOEHRIQHSA-N 321.421 -0.009 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)c2cnc(C3CC3)o2)CC1 1112980147 URXLRZRQXOSKCK-UHFFFAOYSA-N 317.349 -0.050 30 20 DBED C=CCOCC(=O)NC1[C@H]2CN(Cc3nc(COC)no3)C[C@H]12 1114051251 RJOKYYOAVZDFMG-QWRGUYRKSA-N 322.365 -0.035 30 20 DBED CC(C)C#CC(=O)NC1[C@@H]2CN([C@H](C)C(=O)NC(N)=O)C[C@@H]12 1114234301 JHWYTLZANXCWCT-GMTAPVOTSA-N 306.366 -0.724 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)C[C@H](C)NC(N)=O)[C@H]2C1 1114277354 AMYDOKSZONOLPI-CIQGVGRVSA-N 308.382 -0.871 30 20 DBED C=C(C)CN1C[C@H]2[C@H](NC(=O)CN(C)S(C)(=O)=O)[C@H]2C1 1114363802 KQDXMPXZFPZUTE-PJXYFTJBSA-N 301.412 -0.500 30 20 DBED C=C(C)CCN1C[C@@H]2C(NC(=O)CNC(=O)CNC(C)=O)[C@H]2C1 1114480169 IBIYTWRYSXXJAW-STQMWFEESA-N 322.409 -0.749 30 20 DBED C=CCCCN1C[C@H]2[C@H](NC(=O)CNC(=O)CNC(C)=O)[C@H]2C1 1114481155 WGJYYCNLEGXTSA-VIKVFOODSA-N 322.409 -0.749 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)c3oncc3C)[C@H]2C1 1115065597 PAYSLRAUAPOKRI-SRVKXCTJSA-N 316.361 -0.219 30 20 DBED C=CCCCN1C[C@@H]2C(NC(=O)Cn3nc(C)n(C)c3=O)[C@H]2C1 1115188102 HZICMKSNHRFUFB-STQMWFEESA-N 319.409 -0.097 30 20 DBED CC#CCNC1(CNC(=O)CN2CC(=O)NC2=O)CCCCC1 1115776677 ZBENTIAELPMRQY-UHFFFAOYSA-N 320.393 -0.030 30 20 DBED C=CCN(C(=O)C(=O)N1CCN(CC(=O)N(C)C)CC1)C1CC1 1117974469 ZTKXUTGKJIWINF-UHFFFAOYSA-N 322.409 -0.604 30 20 DBED C[C@@H](CNC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1)C(=O)O 1119294031 KRPRCARGBPBGBV-GXSJLCMTSA-N 308.338 -0.978 30 20 DBED C[C@H](CN(C)C(=O)[C@H]1CN(C)C(=O)N1)N=c1cc[nH]cc1C#N 1120409222 PXHYWXXOZFFGQP-ZWNOBZJWSA-N 316.365 -0.342 30 20 DBED C#CCNC(=O)CNC1CC2(C1)CC(NC(=O)[C@H]1CCCO1)C2 1120556640 DWERJCMTAPGYFJ-OPFKTAGGSA-N 319.405 -0.068 30 20 DBED C[C@H](CN(C)C(=O)[C@H]1C[C@H]1C(N)=O)Nc1cncc(C#N)n1 1120705598 DHLYWXHUUCTRBH-IEBDPFPHSA-N 302.338 -0.272 30 20 DBED C[C@@](O)(CC(=O)NC[C@@H](CO)N=c1cc[nH]cc1C#N)C1CC1 1121340477 XWMATKHISOBSHH-XJKSGUPXSA-N 318.377 -0.185 30 20 DBED Cc1cc(C#N)nc(N[C@H](CO)CNC(=O)c2[nH]nnc2C)n1 1122384923 GVMUSSYOJHCWJF-JTQLQIEISA-N 316.325 -0.714 30 20 DBED CCO[C@H]1C[C@@H]1C(=O)NCCNCC(=O)N(CC)CCC#N 1124139529 HMQAJUHOLKHBLG-STQMWFEESA-N 310.398 -0.121 30 20 DBED CN(C[C@@H](O)CNc1ccc(C#N)cn1)C(=O)C1(C(N)=O)CC1 1124703740 FLSRSMUPSNSMIS-NSHDSACASA-N 317.349 -0.550 30 20 DBED CN(C[C@H](O)CNc1cnc(C#N)cn1)C(=O)c1cnn[nH]1 1124897580 UWTMQOGPYUXQAD-SECBINFHSA-N 302.298 -0.989 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)c1cnn(CC)n1 1126716390 HJGFSGQGESRYTB-UHFFFAOYSA-N 320.397 -0.182 30 20 DBED C#CCOCCC(=O)NCCNCCNC(=O)NC(C)(C)C 1127031701 KMXWKUZVRZJVHM-UHFFFAOYSA-N 312.414 -0.170 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cnc([C@H](C)OC)s1 1127344724 RFBAQBDEULBIAG-JTQLQIEISA-N 324.406 -0.081 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CCCn2nccc21 1130442329 PATNUNZSFRKEFH-OLZOCXBDSA-N 317.393 -0.396 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@H]1CCCN1CC(C)C 1130710816 FXKCJYOMIBFIEZ-CQSZACIVSA-N 308.426 -0.438 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H]2C[C@@H]3CN(CCF)C[C@]2(C1)O3 1131217994 WCHJYYUSFPHOPP-WOSRLPQWSA-N 323.368 -0.603 30 20 DBED COCC#CCNCCNC(=O)c1coc2c1C(=O)NCCC2 1131563030 UYLGWCPYODGJEC-UHFFFAOYSA-N 319.361 -0.075 30 20 DBED C=CCN(CC=C)C(=O)CN1C[C@H](NC(=O)C(N)=O)CC[C@@H]1C 1132253566 WGYQFOKTQXPFLN-QWHCGFSZSA-N 322.409 -0.359 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@@]1(C)CCC(=O)NC1 1132717520 BAMFMWZJYVIZLX-ABAIWWIYSA-N 310.398 -0.701 30 20 DBED C[C@H]1CCN(C(=O)Cn2ncn(C)c2=O)C[C@H]1CNCC#N 1132928664 SZGYNFDIUDEPBN-NWDGAFQWSA-N 306.370 -0.820 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1cnc(O)cc1C 1133659654 FRNIIUPNGZGJQY-NSHDSACASA-N 304.350 -0.447 30 20 DBED CC#CCN[C@H](C)C[C@H](C)NC(=O)CNC(=O)CNC(C)=O 1134769901 KWKKLTHYTUCNMX-NEPJUHHUSA-N 310.398 -0.865 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)[C@@H]1[C@H]2COC[C@H]21)NCC(=O)NCC#N 1135231326 ZFYHVJCNCJTOKK-SVPLCASGSA-N 308.382 -0.609 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)c1ccncn1 1135542654 NKOPGFYTXSBBGQ-JTQLQIEISA-N 320.353 -0.804 30 20 DBED C#CCOc1ncccc1C(=O)NCCNCc1cnon1 1148302738 VICHFPOWNJUQIL-UHFFFAOYSA-N 301.306 -0.004 30 20 DBED C#CCNC(=O)CN1CCCO[C@@H](CNC(=O)C(C)(C)F)C1 1149030603 XQIOKMRUCWHIEJ-LBPRGKRZSA-N 313.373 -0.309 30 20 DBED C[C@H](CS(C)(=O)=O)C(=O)NC[C@@H]1CN(CC#N)CCCO1 1150787351 MDLASKSFPGDJHS-VXGBXAGGSA-N 317.411 -0.602 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)CN(C)CCC 1156525178 GWZCSRFNIMKGLG-CQSZACIVSA-N 310.442 -0.096 30 20 DBED C[C@@H]1CN(C(=O)CNCCCNC(=O)C#CC2CC2)CCO1 1157682688 MLSVBIJPYJJNBH-CYBMUJFWSA-N 307.394 -0.257 30 20 DBED C=CCOCCNCCCNC(=O)[C@H](C)NS(=O)(=O)CC 1158565836 DKJFYMKITWJIJC-LBPRGKRZSA-N 321.443 -0.387 30 20 DBED C#CCNC(=O)CN1CC=C(CCNC(=O)[C@H](O)C(C)C)CC1 1160062318 AUUWSRYMDVLHOH-MRXNPFEDSA-N 321.421 -0.109 30 20 DBED C#CCNC(=O)CNCCCNC(=O)COCc1ncc(C)o1 1162276411 GJGVEDFQMGUACN-UHFFFAOYSA-N 322.365 -0.655 30 20 DBED CN(C)CCC(=O)NCCC1(CNCC(=O)NCC#N)CC1 1166971165 JVAQXSYNMINEET-UHFFFAOYSA-N 309.414 -0.546 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@H]1CCc2nc[nH]c2C1 1170431241 IZEMLXNFRXEISM-LBPRGKRZSA-N 319.409 -0.087 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)Cc2cnn(C)c2)C1 1181487590 LXNQJPAYPNCMKZ-TZMCWYRMSA-N 317.393 -0.709 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2nnn(C)c2C)C1 1181812046 NDSFEOYZVDNEDB-ZYHUDNBSSA-N 318.381 -0.934 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2ccn(C)c2C)C1 1185494109 VCMDUAVFOGGZEN-CYBMUJFWSA-N 302.378 -0.113 30 20 DBED C#CCNC[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)CC12CCOCC2 1186464330 KJPHGTLFDCKUCL-CHWSQXEVSA-N 320.393 -0.854 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)CCN(C)CC)C1 1186817544 WZBQWLJSYDKBBS-UONOGXRCSA-N 308.426 -0.343 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)[C@H]2CCCCN2C(N)=O)C1 1186975358 MFKFRWQRZPRGGB-ZIAGYGMSSA-N 322.409 -0.240 30 20 DBED CCn1nc(C)c(CN2C[C@@H](O)[C@H](NC(=O)C#CC(C)C)C2)n1 1192761694 MFPTYHGZFQWCAW-HUUCEWRRSA-N 319.409 -0.073 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2cocc2C)C1 1195306559 BYAFVYFDYXLOAE-CHWSQXEVSA-N 305.334 -0.888 30 20 DBED C#CCOCCC(=O)N1CCCN([C@@H](C)C(=O)NC(N)=O)CC1 1195798390 FZMADTGGPOVQRG-LBPRGKRZSA-N 324.381 -0.856 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)C(C)(C)NC(=O)NCC)C1 1196609308 XGMUGZUNKFQWPZ-VXGBXAGGSA-N 312.414 -0.179 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CN(CCC[C@H](C)O)C[C@H]2O)nn1 1196758134 RORYSATURJZBSZ-OUCADQQQSA-N 323.397 -0.600 30 20 DBED CC#CCN1CCCN(C(=O)CS(=O)(=O)N(C)C)CC1 1197984765 PYERVDAZVVSKJU-UHFFFAOYSA-N 301.412 -0.565 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)CNC(=O)CC(C)(C)C)C1 1198799776 QVQOCVYZRNLJMD-CHWSQXEVSA-N 309.410 -0.277 30 20 DBED C=C(Cl)CNC[C@H]1CN(C(=O)CNC(N)=O)CCCO1 1199810116 HXVGGXWAHRYQGR-JTQLQIEISA-N 304.778 -0.386 30 20 DBED COCC#CCNC1CCN(C(=O)[C@H]2CC[C@@H]2C(N)=O)CC1 1201959776 QLEPYKBWTUUOJA-KBPBESRZSA-N 307.394 -0.272 30 20 DBED C=CCCOCC(=O)N1CCCO[C@H](CN[C@@H](C)C(N)=O)C1 1202208406 NPVHUUDDDWNVFZ-QWHCGFSZSA-N 313.398 -0.340 30 20 DBED C[C@@H]1OCC[C@@H]1C(=O)N1CCC(NCC(=O)NCC#N)CC1 1203059444 SHXJBQMIFNQSHJ-AAEUAGOBSA-N 308.382 -0.368 30 20 DBED C#CCCN[C@H]1C[C@H]2CC[C@H]1N(C(=O)CS(=O)(=O)NC)C2 1204988449 OGCLYJDDYPJJLF-FRRDWIJNSA-N 313.423 -0.472 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)CC(=O)NCC)CC1 1205057157 VNKBEUGCBPHTJK-UHFFFAOYSA-N 322.409 -0.910 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCC(CNCC(N)=O)CC1 1205479462 NNQONJJAOOTXII-AWEZNQCLSA-N 306.410 -0.603 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)[C@H](C)n2cccn2)[C@H](C)C1 1206083116 JHNSQPPPDRNXEA-HZSPNIEDSA-N 317.393 -0.370 30 20 DBED C#CCCNCC1CCN(C(=O)CC[C@H]2NC(=O)NC2=O)CC1 1206917802 ZRSMVDXQJDXIAI-CYBMUJFWSA-N 320.393 -0.174 30 20 DBED CNC(=O)NC(=O)[C@H](C)N1C[C@@H](NC(=O)C#CC(C)C)[C@H](C)C1 1206939587 MIFHEVUCFPEEBY-FRRDWIJNSA-N 322.409 -0.074 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)[C@H](C)NC(=O)CC)[C@H](C)C1 1207056128 ADQXGNDXAJMYPN-FRRDWIJNSA-N 324.425 -0.360 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)Cc2cnn(C)c2)C1 1207623562 UYXAALOYKWNVPE-AWEZNQCLSA-N 319.409 -0.155 30 20 DBED COCC#CCN[C@H]1CCCN(C(=O)CN2CCOCC2=O)C1 1208344060 VUJKIGCOGGPOAL-AWEZNQCLSA-N 323.393 -0.924 30 20 DBED C#CCCN[C@H]1CCCN(C(=O)CS(=O)(=O)CCOC)C1 1208435548 IBIKOEIKNFXZOT-ZDUSSCGKSA-N 316.423 -0.349 30 20 DBED C=CCOCCN1C[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)[C@H](C)C1 1208933377 PCCZLNYBESDPSO-GRYCIOLGSA-N 324.381 -0.776 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)[C@H]2CCN(C)C2=O)C1 1209122933 VYWWKWSCJDZTFR-STQMWFEESA-N 322.409 -0.653 30 20 DBED CC(=O)NC(C)(C)C(=O)N1CCC[C@@H](NCC(=O)NCC#N)C1 1210174367 DLYKXTWNZJYKHJ-GFCCVEGCSA-N 323.397 -0.879 30 20 DBED CCn1ncc(CN2C[C@@H](NC(=O)[C@H](C)C#N)[C@H](OC)C2)n1 1212039978 ZDYSJVRPMPMPSP-RAIGVLPGSA-N 306.370 -0.227 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)c2cnco2)[C@H](OC)C1 1213237558 RUUUSDRZQFHHQZ-NQBHXWOUSA-N 322.365 -0.206 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)[C@@H](C)C(C)C)[C@H](OC)C1 1213514385 MBXRUSYCTNGFJX-BFHYXJOUSA-N 309.410 -0.157 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)c2cccn2C)C[C@H]1C 1214146617 JTZJTUCTDNGZDR-CHWSQXEVSA-N 302.378 -0.175 30 20 DBED C[C@@H]1CN(C(=O)CNC(=O)c2cccnc2)C[C@H]1NCC#N 1215617305 QUMJIUGEQUWYRK-DGCLKSJQSA-N 301.350 -0.229 30 20 DBED Cn1nccc1C(=O)NCC1CCN(CC(=O)NCC#N)CC1 1222556596 FCSVTNUFDXNCSV-UHFFFAOYSA-N 318.381 -0.498 30 20 DBED N#CCNC(=O)CN1CCC(CNC(=O)c2ncc[nH]2)CC1 1223074421 NGPQCYJOWYBULT-UHFFFAOYSA-N 304.354 -0.509 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CCCC[C@H]1NC(=O)CC(=O)NC 1225861929 WMMUHOWAGATBAK-YNEHKIRRSA-N 324.425 -0.170 30 20 DBED CC(C)(C(N)=O)C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCC#N 1226913102 SWUICGDIJOBWMO-GHMZBOCLSA-N 323.397 -0.845 30 20 DBED CC#CCN[C@@H]1CCCC[C@H]1NC(=O)CN1C(=O)CN(C)C1=O 1230082854 RRWOQAZWJFOOBE-CHWSQXEVSA-N 320.393 -0.079 30 20 DBED C#CCNC(=O)CN(C)CCCNC(=O)c1cnn(C)c1C 1233977654 HAGBVYFVUOCCEB-UHFFFAOYSA-N 305.382 -0.470 30 20 DBED C=CCCCCNC(=O)C(=O)NCC(C)(C)NS(C)(=O)=O 1258354645 QNJWAAKQTIIPPU-UHFFFAOYSA-N 319.427 -0.097 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)CCO1 1322570384 SPCUPLSPFHGJBS-STQMWFEESA-N 306.366 -0.662 30 20 DBED COC(=O)C[C@H]1CN(C(=O)C(=O)NCCCCC#N)CCO1 1322572153 URVAYSQRIAAUMV-NSHDSACASA-N 311.338 -0.413 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CC(c2nc(C)no2)C1)[C@@H]1CCCO1 1323819229 HSKFEXSIXWDBGT-RYUDHWBXSA-N 318.333 -0.399 30 20 DBED COC(=O)Cn1ncc(NC(=O)C(=O)N(C)CCC#N)c1C 1325268038 KCINXJDTDOYLTO-UHFFFAOYSA-N 307.310 -0.325 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N(C)CCn2cccn2)nn1 1325949139 ZVWVDPDGWMWDMH-UHFFFAOYSA-N 317.353 -0.565 30 20 DBED C=CCOCCNC(=O)C(=O)N[C@H]1CCN(CC(F)F)C1 1327832502 QZSKWHXZIXLCRJ-JTQLQIEISA-N 305.325 -0.239 30 20 DBED COc1ncc(C(=O)NCC[C@H](C)NCC(=O)NCC#N)cn1 1328435854 AARALJKCLVPQAQ-JTQLQIEISA-N 320.353 -0.777 30 20 DBED C=CCCSCCNC(=O)C(=O)NC1CN(C(=O)OC)C1 1328437217 GSSVKPONDDKSLM-UHFFFAOYSA-N 315.395 -0.021 30 20 DBED C#CCCCCNC(=O)C(=O)N1C[C@@H](O)C[C@H](C(=O)OC)C1 1329346350 GVXQMVKQMFYVKP-RYUDHWBXSA-N 310.350 -0.712 30 20 DBED Cn1ccnc1[C@H](O)C1CCN(C(=O)NCC#CCO)CC1 1332816289 RLROOFFLJCBXMO-CYBMUJFWSA-N 306.366 -0.129 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N[C@H]1CC(=O)N(C2CC2)C1 1332867235 LSXGHKYVFZWOTD-NEPJUHHUSA-N 321.377 -0.590 30 20 DBED C#CCN1CCC[C@@H](NC(=O)N2CCN(CCOC)C(=O)C2)C1 1333216183 SEPMXRQHAFCOCZ-CQSZACIVSA-N 322.409 -0.416 30 20 DBED COC[C@H]1CN(C(=O)C(=O)Nc2cnn(CC#N)c2)CCO1 1334476536 SQYQPJRFMMHFQU-LLVKDONJSA-N 307.310 -0.781 30 20 DBED CN(C(=O)CCn1cc(C#N)c(O)nc1=O)c1cnn(C)c1 1362250675 FBUAVVSIKHEBQZ-UHFFFAOYSA-N 302.294 -0.393 30 20 DBED CC(C)(C)OC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)CC#N 1363284347 KIVIKIOOQQPRTG-SECBINFHSA-N 302.352 -0.133 30 20 DBED CNC(=O)[C@H]1CN(S(=O)(=O)CC(C)(C)CC#N)CCO1 1363963725 JJSMTOXEIYZFJU-SNVBAGLBSA-N 303.384 -0.297 30 20 DBED COC(=O)CNC(=O)CNC(=O)Nc1ccc(OC)c(C#N)c1 1366448518 ILWBBKBEWDYLBF-UHFFFAOYSA-N 320.305 -0.022 30 20 DBED CC(=O)NCC(=O)N1C[C@H](NC(=O)c2ccc(C#N)[nH]2)C[C@H]1C 1370860286 RTFNRPKCMSVLQL-BXKDBHETSA-N 317.349 -0.258 30 20 DBED CC(=O)N1CCC(C(=O)NCCN(C)C(=O)[C@H](C)C#N)CC1 1373435438 LMGYVAYYTFXQIQ-LLVKDONJSA-N 308.382 -0.021 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CN(C)C(=O)C1CCN(C)CC1 1383022298 LQPHTUIIZJVXPQ-AAEUAGOBSA-N 310.398 -0.577 30 20 DBED C[C@@H](C#N)C(=O)N(C)CC1CCN(C(=O)Cn2ncnn2)CC1 1388906283 LWIAEDABHREWLK-NSHDSACASA-N 319.369 -0.470 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1cnn2ccncc12 1392133248 PBXPIPNLGZKRMT-VHSXEESVSA-N 316.321 -0.904 30 20 DBED CCCN(C(=O)CNC(=O)NC)[C@@H]1CCN(C(=O)[C@H](C)C#N)C1 1398430087 POGQOMYRCOGOLH-VXGBXAGGSA-N 323.397 -0.085 30 20 DBED CC(=O)N[C@H](C)C(=O)N1CC2(CCN(C(=O)[C@H](C)C#N)C2)C1 1405975241 KHQVKPLTEIHZBX-GHMZBOCLSA-N 306.366 -0.268 30 20 DBED C[C@@H](C#N)C(=O)NCC1CN(C(=O)COc2cnn(C)c2)C1 1416123762 NPTNRBCYJUUNAC-JTQLQIEISA-N 305.338 -0.467 30 20 DBED CNC(=O)Cc1noc(CN[C@H]2C[C@H](NC(=O)[C@@H](C)C#N)C2)n1 1418051963 PDEOUPDYSJRGDO-GUBZILKMSA-N 320.353 -0.745 30 20 DBED CC(=O)NCC(=O)N[C@@H]1C[C@@H](C)N(C(=O)c2cc(C#N)c[nH]2)C1 1425596041 SMCBAMNRVHSFDM-BXKDBHETSA-N 317.349 -0.258 30 20 DBED C[C@@H](CNC(=O)CCCS(C)(=O)=O)N(C)C(=O)[C@H](C)C#N 1426713945 IBWXQKKGKVBAAA-MNOVXSKESA-N 317.411 -0.066 30 20 DBED CCN1CCO[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@@H](C)C#N)C2)C1 1430148144 BGNRXHPRSADZOQ-ZDEQEGDKSA-N 308.382 -0.370 30 20 DBED C=C(Cl)CN(CC)CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 1437629660 CJYNDDTWPWQQLG-VIFPVBQESA-N 302.762 -0.225 30 20 DBED CC(C)c1nnnn1CC(=O)N(C)C[C@H](C)NC(=O)[C@@H](C)C#N 1443827005 AWBPLWUFWWIGQF-QWRGUYRKSA-N 321.385 -0.081 30 20 DBED Cc1nnc(N2CCO[C@H](C#N)C2)n1CC(=O)N1CCOCC1 1460427274 HMMMBNAVFWSSJH-GFCCVEGCSA-N 320.353 -0.826 30 20 DBED COCC#CCN1CCC[C@H](NC(=O)C(=O)NCC2CC2)C1 1479911333 BFSVSLXNSWBJKG-AWEZNQCLSA-N 307.394 -0.257 30 20 DBED CCNC(=O)NC(=O)CN[C@H](C)CNC(=O)c1cc(C#N)c[nH]1 1480442975 XFEAAHYWURHHAB-SECBINFHSA-N 320.353 -0.560 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCNC(=O)C1(S(C)(=O)=O)CCC1 1496503243 OYCWSGZPNOGYDF-JTQLQIEISA-N 315.395 -0.312 30 20 DBED Cc1nnc(N2CCN3CCOC[C@]3(CO)C2)c(C#N)c1C 1548462352 PWDLNOFYQTYXOJ-OAHLLOKOSA-N 303.366 -0.152 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H](C)CCN=c1cc[nH]c(C(=O)O)n1 1573310934 FINAYIVRXAKBOV-WDEREUQCSA-N 320.349 -0.058 30 20 DBED C=CCC1(C(=O)NC[C@H](CO)NC(=O)CNC(=O)O)CCC1 1573352613 HCVHFDIRADRAPR-SNVBAGLBSA-N 313.354 -0.406 30 20 DBED N#Cc1ccc(N2CC[C@@H](C(=O)NCC3(O)CNC3)C2)c(F)c1 1580067653 ZEVOOIDEJXGEHA-GFCCVEGCSA-N 318.352 -0.026 30 20 DBED C#CCNC(=O)[C@H]1CC(=O)N(c2ccc(-c3nn[nH]n3)cc2)C1 1588353581 XUHQJSOGIYBGTP-NSHDSACASA-N 310.317 -0.031 30 20 DBED C#CCN(CC(=O)O)C(=O)c1cn(CC(=O)OC(C)(C)C)nn1 1588418781 SMZPUDBAZXKVHR-UHFFFAOYSA-N 322.321 -0.220 30 20 DBED C#CC[C@@H](NS(=O)(=O)c1n[nH]c(C)c1C(=O)O)C(=O)OC 1588424589 XRAUMTVQGYZBGO-SSDOTTSWSA-N 315.307 -0.740 30 20 DBED C#CCN1CCC(C(=O)N2C[C@H](C(=O)O)[C@@H](C(=O)OC)C2)CC1 1588471151 BANQNQSXSVCKCA-STQMWFEESA-N 322.361 -0.336 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2cc(C(=O)O)co2)CC1 1588484198 TWJIQKKKFPMPHK-UHFFFAOYSA-N 319.317 -0.515 30 20 DBED C#CCNC(=O)CN1CCN(Cc2cnc(C(=O)O)cn2)CC1 1588484278 YNBQIHZOMJBSPC-UHFFFAOYSA-N 317.349 -0.958 30 20 DBED C=CCNC(=O)CNCC1CCN(C(=O)[C@H]2C[C@@H]2C(=O)O)CC1 1588844850 XBFLHSOXOGUGGH-STQMWFEESA-N 323.393 -0.163 30 20 DBED C=CCOCC(=O)NCCN(C)c1cncc(-c2nn[nH]n2)n1 1602868111 HVXBQUNXYZXAOJ-UHFFFAOYSA-N 318.341 -0.588 30 20 DBED N#Cc1ccncc1C(=O)N1CCC[C@@H](CNS(N)(=O)=O)C1 1645793012 AITBJCKCAVJSEI-JTQLQIEISA-N 323.378 -0.401 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCCN(C(=O)c2cnn(C)n2)C1 1752999312 YKVNTJHYLUMWKD-GFCCVEGCSA-N 318.381 -0.899 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCN(C)[C@@H]1CCCNC1=O 1753052172 VLGCYFYMCSVKLQ-KGLIPLIRSA-N 306.410 -0.589 30 20 DBED C#CCCN(C)C[C@@H]1CCN(C(=O)CCS(=O)(=O)NC)C1 1753349950 ZBWUOENBXAPFKF-ZDUSSCGKSA-N 315.439 -0.271 30 20 DBED C#CCCCCC(=O)NC1CN(CCN2C(=O)CNC2=O)C1 1753374852 RSLQTLNYVMPUJE-UHFFFAOYSA-N 306.366 -0.468 30 20 DBED CC#CCN1CC[C@@H](N(C)C(=O)[C@H](C)NS(=O)(=O)CC)C1 1753436298 ITGROLFDOQJYLU-QWHCGFSZSA-N 315.439 -0.130 30 20 DBED COCC#CCNC[C@](C)(NC(=O)c1ncn(C)n1)C1CC1 1753516512 OREBTBKLOZURBP-HNNXBMFYSA-N 305.382 -0.047 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H](CCNCc2nc(=O)n(C)[nH]2)C1 1753543998 ZRIWADQFKRBNNW-NEPJUHHUSA-N 320.397 -0.014 30 20 DBED C#CCNC(=O)CNC[C@@H]1[C@H](C)CCCN1C(=O)c1ncc[nH]1 1753818925 NTCKHQRRUJGMQV-CHWSQXEVSA-N 317.393 -0.011 30 20 DBED CCc1c(C(=O)N[C@H](C)CN(C)CC(=O)NCC#N)cnn1C 1754313873 GJFNPJVXHIFRIE-LLVKDONJSA-N 320.397 -0.328 30 20 DBED C=CCNC(=O)CN1C[C@H]2C[C@H]1[C@H]2NC(=O)c1cnns1 1754420527 LWQZCCOSBOWUHX-PTRXPTGYSA-N 307.379 -0.357 30 20 DBED C#CCNC(=O)CNC[C@@H]1CCCN1C(=O)c1coc(OC)n1 1754614279 RSDSXWGSQUEOTF-NSHDSACASA-N 320.349 -0.373 30 20 DBED COCC#CCN1CC(O)(CNC(=O)CCn2ccnc2)C1 1754772095 XEAORWYEKSWNID-UHFFFAOYSA-N 306.366 -0.914 30 20 DBED CCC[C@@H](CC)C(=O)NCC1(O)CN(CC(=O)NCC#N)C1 1754777610 VBIFINVQARSIFP-GFCCVEGCSA-N 310.398 -0.385 30 20 DBED C=CCCC(=O)N1CCC[C@](CO)(NCc2nc(=O)n(C)[nH]2)C1 1755081189 GWZDQDYCDRTBKU-HNNXBMFYSA-N 323.397 -0.482 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)Cc2ccn(C)n2)C[C@@H]1C 1755109706 XWGHENMCKUGWGD-GXTWGEPZSA-N 319.409 -0.299 30 20 DBED CC(C)C(=O)N1CCCC[C@@H]1C(=O)NC[C@@H](CO)NCC#N 1755647577 MSSIKJVWTWRTRP-QWHCGFSZSA-N 310.398 -0.386 30 20 DBED COCC#CCNC1CC(N(C)C(=O)[C@@H]2CCNC(=O)C2)C1 1755855616 WZHZZHZVSRTQMJ-IYXRBSQSSA-N 307.394 -0.259 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C[C@H](C)NC(=O)c1ccc(O)nn1 1756453706 UFCJTJOIJQJGAL-QWRGUYRKSA-N 320.349 -0.203 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](CO)CNC(=O)c1coc(C)n1 1756514039 RGMNLPGNFWRCHF-WZRBSPASSA-N 323.349 -0.219 30 20 DBED O=C(C#CC1CC1)N[C@@H](CO)CNC(=O)c1c(F)cncc1F 1756525842 FBTHMFIVFOEZAF-SNVBAGLBSA-N 323.299 -0.020 30 20 DBED C#CCCCCC(=O)N1CC[C@H]1CN(C)C(=O)Cn1cnnn1 1757274263 FBSFPAXBZZUVTP-ZDUSSCGKSA-N 318.381 -0.074 30 20 DBED CNC(=O)[C@@H]1CN(S(=O)(=O)c2cccnc2C#N)CCO1 1771669960 CXDUEIHXHRCMEQ-JTQLQIEISA-N 310.335 -0.911 30 20 DBED Cn1c(=O)[nH]c(N2CC[S@](=O)C(C)(C)CC2)c(C#N)c1=O 1772116650 DPCQSOBVTYKHHL-NRFANRHFSA-N 310.379 -0.317 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCCC1 1792545857 SHRNSGQUWNOLQX-YWVIFJGQSA-N 305.378 -0.695 30 20 DBED N#CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCOC1)C2 1795084785 SKPYUAFFPDZEKR-FMSGJZPZSA-N 307.350 -0.474 30 20 DBED C=CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CN(C)C1)C2 1801002157 MSVOUKNWVUPHIN-AGGWBTHJSA-N 307.394 -0.286 30 20 DBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCC#N)CCO2 1835362596 OYSCUZBBBUXMAC-HNNXBMFYSA-N 305.334 -0.620 30 20 DBED C#CC(=O)N1CC2(CCCN2C(=O)COC(=O)C(F)(F)F)C1 1844207671 YBMIEOYUOXLPQS-UHFFFAOYSA-N 318.251 -0.072 30 20 DBED COC(=O)NCC(=O)N1CCCC12CN(C(=O)C1(C#N)CC1)C2 1846511192 SUYJWMBDXGGEFO-UHFFFAOYSA-N 320.349 -0.150 30 20 DBED Cn1cc(C#N)c(=O)n(CCS(=O)(=O)c2ccccc2)c1=O 11266642 MGIGATZQZNMTMA-UHFFFAOYSA-N 319.342 -0.107 30 20 DBED C=CCNC(=O)[C@@H](C)OC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O 26593239 MRSMMBDPLHTBMZ-RFAUZJTJSA-N 323.349 -0.059 30 20 DBED C#CCN(CC(=O)O)S(=O)(=O)c1ccc(C(=O)NC)cc1 92479879 OHZHZRAWERMSBA-UHFFFAOYSA-N 310.331 -0.245 30 20 DBED N/C(CN1CCOCC1)=N\OCC(=O)NCc1ccccc1 111182306 RUWUNZHLEDNLIG-UHFFFAOYSA-N 306.366 -0.076 30 20 DBED C#CCCCC(=O)OCCn1cnc2c1c(=O)n(C)c(=O)n2C 190686309 CJDHGAGDYODUFK-UHFFFAOYSA-N 318.333 -0.220 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N1CCO[C@@H](CNC(C)=O)C1 265506078 YTPDGDQFDDWNJS-PWSUYJOCSA-N 312.370 -0.776 30 20 DBED N#Cc1nnc2ccccc2c1N1CCN2C(=O)C(=O)NC[C@H]2C1 267487722 CDUTZOIFBSHRCL-JTQLQIEISA-N 322.328 -0.352 30 20 DBED N#Cc1cc2c(nc1N1CCN3C(=O)C(=O)NC[C@@H]3C1)CCC2 269038474 LMTDUKFNHWQJML-GFCCVEGCSA-N 311.345 -0.411 30 20 DBED C=CCCS(=O)(=O)Nc1cnn(CC(=O)NCCOC)c1 269297666 OSOWKAYMWKHKOX-UHFFFAOYSA-N 316.383 -0.037 30 20 DBED NC(=O)C1=NO[C@@H](CNC(=O)C#Cc2ccc3c(c2)OCO3)C1 276334032 YULGULBGDJCGPM-SNVBAGLBSA-N 315.285 -0.487 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC2(CN(C)C)CCC2)C1=O 281173604 XZCYADCGAKXCIF-UHFFFAOYSA-N 322.365 -0.436 30 20 DBED C=CCNC(=O)CNC(=O)N1C[C@H](C)S(=O)(=O)[C@H](CC)C1 286694727 IPTJSNVEBGOIGX-WDEREUQCSA-N 317.411 -0.104 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CCC[C@](C)(O)C2)C1=O 297971000 VZTILEYNWNSEIP-LRDDRELGSA-N 323.393 -0.395 30 20 DBED Cc1ccc(C#N)cc1S(=O)(=O)NCC(=O)N1CCNCC1 315887053 BDFQYQBFAZWMDI-UHFFFAOYSA-N 322.390 -0.423 30 20 DBED C/N=C(/O)N1CCN(C(=O)[C@@H]2CC[C@H](C(=O)N(C)C)O2)CC1 329283034 NFDJMQQGVWLGEY-MNOVXSKESA-N 312.370 -0.690 30 20 DBED CC(C)(O)CN1CCN(/C(O)=N/C[C@H]2COCCO2)CC1 329954792 OQBXQNLTJPKPDS-LBPRGKRZSA-N 301.387 -0.296 30 20 DBED CC(=O)N[C@@H]1CCCN(/C(O)=N/CCN2C(=O)CCC2=O)C1 330784914 SLNLGXAVSPTYCB-LLVKDONJSA-N 310.354 -0.350 30 20 DBED CC/N=C(/O)NC(=O)[C@@H](C)N1CCN(C(=O)CN(C)C)CC1 331252661 URJGGEYJXWUWCQ-LLVKDONJSA-N 313.402 -0.869 30 20 DBED CC1(C)[C@H](NS(=O)(=O)N2CCO[C@H](C#N)C2)[C@@H]2CCO[C@H]21 337071239 OTMBVZXRRVRGSY-WRWGMCAJSA-N 315.395 -0.141 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)NCC(=O)Nc2ccccc2)CCO1 337085699 ZQQNMHNMFJEBIH-GFCCVEGCSA-N 324.362 -0.316 30 20 DBED CC#CCN(C)C(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1cnn(C)c1 341071184 XMGKODCHJOWBJN-KGLIPLIRSA-N 304.350 -0.200 30 20 DBED CCOC(=O)[C@](C)(O)CNS(=O)(=O)c1ccc(C#N)nc1 342508111 LERBYVAZCMOVRB-GFCCVEGCSA-N 313.335 -0.454 30 20 DBED C=CCSCCNC(=O)C(=O)N1CCO[C@@H](COC)C1 355286658 GUUROMQSTRMWQD-LLVKDONJSA-N 302.396 -0.104 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)N2C[C@@H](O)C[C@@H]2CO)cc1 373490102 OQZIUAOMGMGJLE-OLZOCXBDSA-N 303.318 -0.758 30 20 DBED C=CC[C@H](NC(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1)C(=O)O 400122211 MIMSOJYOZZPZQF-ZJUUUORDSA-N 319.383 -0.261 30 20 DBED CNC(=O)[C@H]1CCCCN1S(=O)(=O)N(C)C[C@@H](C)C#N 407952438 HHBAMQUZMNEEQI-WDEREUQCSA-N 302.400 -0.077 30 20 DBED COCC(=O)N1CCN(S(=O)(=O)N(C)[C@@H](C)CC#N)CC1 407976692 OSLLUAQMONGCGY-NSHDSACASA-N 318.399 -0.744 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N1CCC[C@H](CC(N)=O)C1 410902906 AKNPUYCVUZEMBA-GFCCVEGCSA-N 311.382 -0.239 30 20 DBED C[C@H]1[C@@H](NS(=O)(=O)N(C)[C@H](C)CC#N)CCS1(=O)=O 431629168 VPKNJJIZDJWPRH-UTLUCORTSA-N 309.413 -0.370 30 20 DBED C#CCNS(=O)(=O)c1ccc(C(=O)OCCC(N)=O)cc1 490899195 NOWXGKJRVHICEH-UHFFFAOYSA-N 310.331 -0.370 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)CN(CC)C2CC2)CC1 491210396 TVEUNSJZLBYODE-UHFFFAOYSA-N 306.410 -0.636 30 20 DBED C=CCn1cc(CNC(=O)N2CCC[C@H]3C(=O)NC[C@H]32)nn1 518174789 FMKCBZZKUJUACT-VXGBXAGGSA-N 304.354 -0.116 30 20 DBED C[C@@H](C#N)CNC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 543802961 KOEICWHDKDOMAC-JTQLQIEISA-N 307.354 -0.722 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)[C@@H](C)N2C(=O)CCC2=O)C1=O 545251241 IRODOKJZSZHRHT-MNOVXSKESA-N 307.350 -0.231 30 20 DBED CCN1CCN(C(=O)C(=O)Nc2cccc(C#N)n2)CC1=O 582300355 ZLURAJABSFCOKY-UHFFFAOYSA-N 301.306 -0.418 30 20 DBED Cn1cc(C#N)c(NC(=O)NCCCn2cc(CO)nn2)n1 589244713 ZRZWOLJYFGKETP-UHFFFAOYSA-N 304.314 -0.413 30 20 DBED CN1C(=O)N[C@]2(CCC[C@@H]2CN=c2nc[nH]cc2C#N)C1=O 591918058 IZTFFNAAGJVAJI-YGRLFVJLSA-N 300.322 -0.097 30 20 DBED N#Cc1cccc(CNC(=O)CN2CCC(O)(CO)CC2)c1 595736511 MDMAMAQDAHNVJX-UHFFFAOYSA-N 303.362 -0.006 30 20 DBED N#Cc1cccc(CC(=O)NCCOCCS(N)(=O)=O)c1 598734752 MHKFHRATNIOSEW-UHFFFAOYSA-N 311.363 -0.478 30 20 DBED Cc1c(C#N)cccc1NC(=O)C(=O)NCCN1CC[C@@H](O)C1 600070619 NTTFYLCZJAOTND-CYBMUJFWSA-N 316.361 -0.012 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCCC[C@@H]2C(C)=O)C1=O 615524779 TVDKIBLTWVPACH-LLVKDONJSA-N 321.333 -0.067 30 20 DBED C#C[C@@H](NC(=O)Cn1nc2ccccn2c1=O)[C@H]1CCCO1 772878845 JSFGCHKPJYPSTE-VXGBXAGGSA-N 300.318 -0.207 30 20 DBED N#CC1(CS(=O)(=O)NC(=O)[C@H]2CCCCS2(=O)=O)CC1 793196052 RIZMEWYTJGKFNB-SECBINFHSA-N 320.392 -0.297 30 20 DBED N#C[C@@H]1CN(C(=O)CCn2cnccc2=O)CCN1C1CC1 794325418 CGKKJWVHGQOUJT-CYBMUJFWSA-N 301.350 -0.168 30 20 DBED CC(=O)N1CCN(C(=O)COC(=O)c2ccc(C#N)o2)CC1 796153216 APXXDBIGPOKNPH-UHFFFAOYSA-N 305.290 -0.001 30 20 DBED C=CCN1CC[C@@H](OC(=O)CN2CCS(=O)(=O)CC2)C1=O 798594709 JIPRIIJOSQIAFY-LLVKDONJSA-N 316.379 -0.953 30 20 DBED CC[C@@]1(C)NC(=O)N(NS(=O)(=O)CC2(C#N)CC2)C1=O 808310413 YAFBUPYIGZXXLK-SNVBAGLBSA-N 300.340 -0.155 30 20 DBED C#C[C@@H](NC(=O)C(=O)N1CCN(CC2CC2)CC1)[C@H]1CCCO1 809308486 LUYKBKZRKGXKFJ-HUUCEWRRSA-N 319.405 -0.162 30 20 DBED CNCCNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 832573166 DMIZUUKIFNOPEK-UHFFFAOYSA-N 310.379 -0.549 30 20 DBED CCn1c(=O)cc(Cl)n(C[C@@H](O)CN(C)CCC#N)c1=O 840756453 BQRABPCPPFGSJY-JTQLQIEISA-N 314.773 -0.110 30 20 DBED C=CCNC(=O)[C@H](C#N)C(=O)Cn1nc2n(c1=O)CCCC2 845442490 MRDKTLYQDKUSJU-SNVBAGLBSA-N 303.322 -0.608 30 20 DBED CON1CCN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CC1 846974948 FOCIOWXMKWDVHK-OAHLLOKOSA-N 323.441 -0.142 30 20 DBED N#Cc1cccc(S(=O)(=O)NCC(=O)O[C@H]2CNOC2)c1 848378105 IGWIFTMEWVMYGX-JTQLQIEISA-N 311.319 -0.717 30 20 DBED C#CCN(CC(=O)O)S(=O)(=O)CC1(C(=O)OC)CCC1 849219515 ZNNYHDGBIYJZMF-UHFFFAOYSA-N 303.336 -0.321 30 20 DBED C#CC[C@H](CO)NC(=O)[C@H]1CC(=O)N(C[C@@H]2CCCN2CC)C1 854545698 OFTAVAMKPNGTAU-ZNMIVQPWSA-N 321.421 -0.180 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](NC(=O)CN2CCCCC2=O)C1 938242254 WEMAXIHBMJYFFK-NEPJUHHUSA-N 306.366 -0.124 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CCN(C(=O)[C@H]3COCCO3)C2)c1 939929406 IKTSXABSIVMFOO-DGCLKSJQSA-N 318.333 -0.368 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCN(C(=O)c3cnon3)C2)nn1 940504754 DXQFMKXFTLJNIG-SECBINFHSA-N 317.309 -0.508 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2CCN2C(=O)c2cnn(C)n2)nc1 951378280 RLGYQEYRETZXLT-GFCCVEGCSA-N 324.344 -0.164 30 20 DBED CC#CCN1CC(N(CC)C(=O)[C@@H]2CCN(C)S2(=O)=O)C1 952446641 SVSUCMINHFBFNL-ZDUSSCGKSA-N 313.423 -0.424 30 20 DBED C=CCn1cc(C(=O)N2CC(N(C)C(=O)c3cn[nH]c3)C2)nn1 953794883 ZDHZMIXGOYNKCK-UHFFFAOYSA-N 315.337 -0.216 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2ccnc3c2CC(=O)N3)C1 958215525 XAOQNSJNCABFQO-MFKMUULPSA-N 314.345 -0.768 30 20 DBED COc1nc(C)ccc1C(=O)NC[C@@H]1CN(CC#N)C[C@H]1O 958458407 IIQXKMGSQZPFSE-DGCLKSJQSA-N 304.350 -0.055 30 20 DBED C=CCCN1C[C@H](CNC(=O)C2CC(=O)NC(=O)C2)[C@@H](O)C1 958477205 WEAGMIQUKUNMQA-RYUDHWBXSA-N 309.366 -0.976 30 20 DBED Cn1ncc(CN2C[C@@H]3C(NC(=O)c4ccc(C#N)[nH]4)[C@H]3C2)n1 958589713 FPKDTDMQOFBGBX-RYUDHWBXSA-N 311.349 -0.125 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H]2CN(C(=O)c3cnon3)C[C@@H]21 960877830 OQNLSOFCXPRBEV-INTQDDNPSA-N 305.294 -0.719 30 20 DBED C#CCN1C[C@H]2[C@H](NC(=O)Cn3nc4n(c3=O)CCCC4)[C@H]2C1 962236686 FYGYYGZRSAQENU-JYAVWHMHSA-N 315.377 -0.939 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)c1cnn(C)c1 964070196 HFLJCAUQZUKARB-ZYHUDNBSSA-N 305.338 -0.463 30 20 DBED CCN(C(=O)c1cnn(C)n1)C1CN(C(=O)C#CC2CC2)C1 968144604 WANVGBBYQGLYFW-UHFFFAOYSA-N 301.350 -0.099 30 20 DBED C#CCN(C)[C@H]1CCN(C(=O)[C@H]2CC(=O)N(CCOC)C2)C1 971632337 BNBUCJCTBJFYHQ-KBPBESRZSA-N 307.394 -0.353 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)[C@H]3CCNC(=O)C3)C2)C1 972338607 IDVVNPQNNHYIJM-XJKSGUPXSA-N 305.378 -0.551 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 973531895 RTLZESNOKAWDQJ-JCIQBVFBSA-N 322.365 -0.978 30 20 DBED C#Cc1cncc(C(=O)N[C@H]2[C@@H]3CN(C(=O)CC(N)=O)C[C@@H]32)c1 977160709 LIJRAOOIKHUNNF-JYAVWHMHSA-N 312.329 -0.875 30 20 DBED C=CCn1cccc1C(=O)N(C)C[C@H]1CCN1C(=O)C(N)=O 977878131 ISDBWDHDGXOLMW-LLVKDONJSA-N 304.350 -0.168 30 20 DBED CN(CC#N)[C@@H]1CCN(C(=O)C[C@@]2(C)CCS(=O)(=O)N2)C1 980265322 SXBLCWTTXCAEIS-DGCLKSJQSA-N 314.411 -0.485 30 20 DBED O=C1C[C@H](C(=O)NC[C@H]2CCN(C(=O)C#CC3CC3)C2)CCN1 982741724 IUJWCEIRQJFQFS-ZIAGYGMSSA-N 317.389 -0.109 30 20 DBED Cn1ncc(C(=O)NC[C@@H]2CCN(C(=O)C#CC3CC3)C2)c1N 982742916 UJHWRPIUJGJQQM-LBPRGKRZSA-N 315.377 -0.006 30 20 DBED C#CCN[C@@H]1CCN(C(=O)c2nc(C)n(-c3nc[nH]n3)n2)[C@@H]1C 986632371 HELRRANYKNOCFZ-MWLCHTKSSA-N 314.353 -0.480 30 20 DBED C=CCN[C@@H]1C[C@@H](C)N(C(=O)CN2CCCS2(=O)=O)C1 988928302 NMBHKISQPSIKBX-VXGBXAGGSA-N 301.412 -0.213 30 20 DBED CN1CCC[C@H]1C(=O)NC1CN(C(=O)c2cc(C#N)c[nH]2)C1 990507054 CVLHKQIFANKFSV-ZDUSSCGKSA-N 301.350 -0.079 30 20 DBED CC1(C)CN(C(=O)CCc2nnc(O)nc2O)C[C@@H]1NCC#N 996002564 JMLMENLEAYXXKR-JTQLQIEISA-N 320.353 -0.434 30 20 DBED C[C@H](C#N)C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN1CCOCC1 996109135 PQPUHRFBPAADBV-MQYQWHSLSA-N 320.393 -0.274 30 20 DBED C#Cc1cncc(C(=O)N2CC(NC(=O)Cc3cncn3C)C2)c1 996451033 VPKNOCVPLQQXFJ-UHFFFAOYSA-N 323.356 -0.020 30 20 DBED C=CCCn1cc(C(=O)N2CCC(N[C@H](C)C(N)=O)CC2)nn1 997090702 VXLJBXMLDYIJRN-LLVKDONJSA-N 320.397 -0.078 30 20 DBED C#Cc1ccc(C(=O)N[C@@H](C)C2CN(C(=O)CC(N)=O)C2)nc1 1006525137 SVPZEUVBWZWJDQ-JTQLQIEISA-N 314.345 -0.485 30 20 DBED C#Cc1ccc(C(=O)N[C@H](C)C2CN(C(=O)CC(N)=O)C2)nc1 1006525142 SVPZEUVBWZWJDQ-SNVBAGLBSA-N 314.345 -0.485 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](NC(=O)c2cn(C)nn2)C(C)(C)C1 1008102131 GFDHGRKPOIXUEB-ONGXEEELSA-N 304.354 -0.058 30 20 DBED Cc1cc(C)n(CC(=O)N[C@H]2CCCN(CC#N)C2)c(=O)n1 1008989669 UWSVDWRKIXWQQH-ZDUSSCGKSA-N 303.366 -0.036 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCCN(C(=O)[C@H]3CCC(=O)N3)C2)C1 1010826681 NISWWVHYLWYJOS-NWDGAFQWSA-N 318.377 -0.124 30 20 DBED N#Cc1cc(C(=O)NC2[C@@H]3CN(C(=O)c4cnn[nH]4)C[C@@H]23)c[nH]1 1012978643 MXQFEKPZGOEFTL-NXEZZACHSA-N 311.305 -0.495 30 20 DBED C=C(Cl)CN[C@H]1CCN(C(=O)CN2CCC(=O)NC2=O)C1 1019617664 DZYOXQABRQTLIS-JTQLQIEISA-N 314.773 -0.129 30 20 DBED C[C@@]1(CC(=O)N2CC[C@H](NCC#N)C2)CCS(=O)(=O)N1 1019701832 NTCBEWOJCQLQOY-JQWIXIFHSA-N 300.384 -0.828 30 20 DBED Cc1cnn(CC(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2O)c1 1023151366 GIZBHYYSBOZRQF-IJLUTSLNSA-N 305.338 -0.961 30 20 DBED N#CCN1C[C@H]2[C@H](NC(=O)[C@@]34C[C@H]5C[C@H](C(=O)N3)[C@H]4C5)[C@H]2C1 1025837770 KSVUIKXTSQBUIT-MYJFRROTSA-N 300.362 -0.529 30 20 DBED C=CCN[C@@H]1CC[C@H]2CN(C(=O)Cn3ccc(O)nc3=O)C[C@H]21 1026305796 DBFQQKPLVVCDIN-YNEHKIRRSA-N 318.377 -0.039 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN(Cc2nncs2)C1 1030464077 GEPWNFAEBMPVLY-LBPRGKRZSA-N 305.407 -0.064 30 20 DBED C#Cc1cncc(C(=O)NCC2CN([C@H](C)C(=O)NC)C2)c1 1031963571 PEJHSLAZFDKJHF-LLVKDONJSA-N 300.362 -0.141 30 20 DBED C#CCCN1CC(CNC(=O)c2nc(O)nc(O)c2OC)C1 1032127263 NGYDXJRVLJEITL-UHFFFAOYSA-N 306.322 -0.419 30 20 DBED C=C(Cl)CN1CC[C@H](N(C)C(=O)CN2CC(=O)NC2=O)C1 1033507247 FAXQNJPFDLAILN-JTQLQIEISA-N 314.773 -0.177 30 20 DBED C[C@H]1CN(C(=O)c2cn(C)c(=O)nc2O)CC[C@@H]1NCC#N 1036305943 NFEKVUGKUWJANB-ONGXEEELSA-N 305.338 -0.550 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCN1Cc1cnon1 1038367760 NENUPVXMRVYTSN-KGLIPLIRSA-N 303.366 -0.142 30 20 DBED CCc1nc(C#N)cc(N2C[C@@H](NC(=O)C(N)=O)CC[C@@H]2C)n1 1039800035 AQGZDZZTXBSFDV-UWVGGRQHSA-N 316.365 -0.131 30 20 DBED C#CCN1[C@H]2CCC[C@H]1CN(C(=O)c1cnc(O)n(C)c1=O)C2 1039811234 PZCQDNCAELQQTF-RYUDHWBXSA-N 316.361 -0.202 30 20 DBED C[C@H]1[C@@H](Nc2cncc(C#N)n2)CCN1C(=O)[C@@H]1CCNC1=O 1040212885 GZBHYRQXRXSECE-WCQGTBRESA-N 314.349 -0.114 30 20 DBED C#CCOCCC(=O)N1CC[C@@](O)(CNC(=O)c2cnco2)C1 1040390479 CSCKGEVDEGZOQC-OAHLLOKOSA-N 321.333 -0.592 30 20 DBED Cc1nc(C)c(C(=O)N2CC[C@](O)(CNC(=O)[C@H](C)C#N)C2)[nH]1 1040760975 BJDZMJMCWXSYBT-PSLIRLAXSA-N 319.365 -0.121 30 20 DBED N#Cc1cncc(N2C[C@@H](O)[C@H](NC(=O)C3=COCCC3)C2)n1 1040944651 GIDJTXUHXMCTRW-CHWSQXEVSA-N 315.333 -0.292 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC(O)(CNC(=O)CC)C1 1041041622 NKURDKRJHZMCPV-GFCCVEGCSA-N 311.382 -0.443 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)c2ccc(F)nc2)C1 1042126887 HUHNDECTQQASEK-SECBINFHSA-N 306.297 -0.317 30 20 DBED CC[C@H](C)OCC(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1042613569 VCXHWHHIEIHKTD-LBPRGKRZSA-N 308.378 -0.096 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)Cc2cc[nH]n2)C1 1042803457 ZNRLMUKJJVRJGW-UHFFFAOYSA-N 304.350 -0.555 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)c2cnns2)C1 1042936274 CXGLTDVIFQZNJM-UHFFFAOYSA-N 308.363 -0.499 30 20 DBED C#CCCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1042976709 PQUVGOCDEFMNGT-VXGBXAGGSA-N 323.349 -0.465 30 20 DBED C=CCCOCC(=O)NCC1(O)CN(C(=O)[C@@]23COC[C@@H]2C3)C1 1043571974 UGBBNRKVHWWJQD-LRDDRELGSA-N 324.377 -0.695 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)CCCF)C1 1044859882 CFUKLPGZWNBLBL-NSHDSACASA-N 300.330 -0.536 30 20 DBED C=CCn1cc(C(=O)N2CC(O)(CNC(=O)C(C)(C)C)C2)nn1 1046412962 PHJQRNJIHBVDAG-UHFFFAOYSA-N 321.381 -0.187 30 20 DBED C#CCN1C[C@H]2C[C@H](NC(=O)c3cn(C)c(=O)n3C)C[C@H]1C2 1047208239 BMMSOFFJBYYVQU-RWMBFGLXSA-N 302.378 -0.060 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC(=O)N2)C1 1047324694 USAKUZRZZQLWLL-VWYCJHECSA-N 301.774 -0.479 30 20 DBED CC#CCN1CCOC[C@H]1CNC(=O)c1cnc2n1CCOC2 1050963912 NTQGOHNOGJBYIE-CYBMUJFWSA-N 318.377 -0.133 30 20 DBED N#Cc1nccnc1N1CC[C@@H](NC(=O)c2cn[nH]c2)[C@@H](O)C1 1051626004 HQTBHXLWRDWDGD-PWSUYJOCSA-N 313.321 -0.559 30 20 DBED C[C@H](C(=O)N1CCOC2(CN(CC#N)C2)C1)c1ccnn1C 1053259940 TZNIMUBXDOYMHG-LBPRGKRZSA-N 303.366 -0.040 30 20 DBED N#CCN1CC2(C1)CN(C(=O)c1cccnc1C(N)=O)CCO2 1053539820 YDMOWTIDTQGXBK-UHFFFAOYSA-N 315.333 -0.769 30 20 DBED C[C@H](C(=O)N1CCOC2(CN(CC#N)C2)C1)N1CCCCC1=O 1053541029 PYRXCHVHKDWQJD-CYBMUJFWSA-N 320.393 -0.176 30 20 DBED C#CCN1CC2(CC[C@H](CNC(=O)c3cc(=O)n(C)o3)O2)C1 1053595070 YBZQTBGAIPTDDM-LLVKDONJSA-N 305.334 -0.425 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)c3cccc(C(N)=O)c3)CO2)C1 1053849835 VRYNIWGHWYCHEH-CQSZACIVSA-N 313.357 -0.008 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)[C@@H]3CCC(=O)N3C)CO2)C1 1053897652 VHIKXDJJJYHJPC-STQMWFEESA-N 305.378 -0.410 30 20 DBED C=C(C)CCC(=O)NC1CCN(CCNC(=O)C(N)=O)CC1 1055628840 IMBNDLUNJLEXNJ-UHFFFAOYSA-N 310.398 -0.475 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@](CO)(NC(=O)c2cnccn2)C1 1055727573 XXUKVOUESGUNLJ-ABAIWWIYSA-N 317.349 -0.280 30 20 DBED Cc1cc(C#N)nc(N2C[C@H]3C(NC(=O)Cn4nccn4)[C@@H]3C2)n1 1056315445 BZBXFRLASONRMD-VXGBXAGGSA-N 324.348 -0.501 30 20 DBED C=CCCOCC(=O)N1CC[C@H]2[C@@H]1CCCN2C(=O)C(N)=O 1056537124 GWSQGWPZAIAXHM-RYUDHWBXSA-N 309.366 -0.344 30 20 DBED CN(c1ccc(C#N)nn1)[C@@H]1CCN(C(=O)[C@@H]2COCCO2)C1 1056870100 XFAOPHFEJPRVLI-OLZOCXBDSA-N 317.349 -0.199 30 20 DBED CCc1nc(C#N)cc(N(C)[C@H]2CCN(C(=O)CC(N)=O)C2)n1 1056877850 HHQOZRWGUWQALG-NSHDSACASA-N 316.365 -0.177 30 20 DBED C=C[C@@](C)(O)CC(=O)N(CCO)CCNC(=O)c1n[nH]cc1C 1057450569 UDNKFZWJPRAHII-OAHLLOKOSA-N 324.381 -0.404 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)[C@]1(C)CNC(=O)C1 1057525081 HTVHFZOBTDQAJB-INIZCTEOSA-N 323.393 -0.891 30 20 DBED C#Cc1ccc(C(=O)N(CCO)CCNC(=O)CCOC)cn1 1058240546 UADCSPAOQCXBHV-UHFFFAOYSA-N 319.361 -0.350 30 20 DBED C=CC(C)(C)C(=O)NCCN(CCO)C(=O)c1[nH]nnc1C 1058278096 ALWLIUAUWLRJGD-UHFFFAOYSA-N 309.370 -0.124 30 20 DBED C#CCOCCC(=O)NCCN(CCO)C(=O)c1ccnnc1 1058937025 JICQOSKGKSVAGN-UHFFFAOYSA-N 320.349 -0.933 30 20 DBED Cn1ncc(C(=O)NC[C@H]2CCN(c3ccnc(C#N)n3)C2)n1 1061622958 NDSOSPCAFPLHGW-SNVBAGLBSA-N 312.337 -0.267 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)Cc1cc[nH]n1 1061846630 PJNSIRMPNOBXIQ-JQWIXIFHSA-N 305.338 -0.545 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](CN(C)c2nccn3nnnc23)C1 1062095516 AAEPJNKHTAZYHO-GHMZBOCLSA-N 314.353 -0.036 30 20 DBED Cc1c(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(C#N)nn2)nnn1C 1062461713 WQTGFXGBVYIMAN-RYUDHWBXSA-N 324.348 -0.112 30 20 DBED C#CCO[C@@H](C)C(=O)NC1(CNC(=O)CCCC(N)=O)CCC1 1063514991 OREMGAUNNWIHAK-LBPRGKRZSA-N 323.393 -0.165 30 20 DBED C=C[C@@](C)(O)CC(=O)NC1(CNC(=O)[C@@H]2CCC(=O)N2)CCC1 1063837064 FHBZTBPMJVXGMN-XHDPSFHLSA-N 323.393 -0.253 30 20 DBED C=CCO[C@@H](C)C(=O)NC1(CNC(=O)C2(C(N)=O)CC2)CCC1 1064288288 JSTOVUFZJOWOBY-NSHDSACASA-N 323.393 -0.002 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CCC1 1064305912 ZMCIAYKABFTBMS-GARJFASQSA-N 322.365 -0.666 30 20 DBED N#Cc1ccc(N2CC[C@]3(CCN(C(=O)C(N)=O)C3)C2)nn1 1064640308 FIMLVDQNYUPBKD-AWEZNQCLSA-N 300.322 -0.738 30 20 DBED C#CCNC(=O)CC(=O)N1CCO[C@@H](CNC(=O)CCC)C1 1065063433 DRRMZKQKQVFEGU-LBPRGKRZSA-N 309.366 -0.730 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCO[C@@H](CNC(=O)c2cnn[nH]2)C1 1065092915 OFWZGUFBYAQQFU-IINYFYTJSA-N 323.353 -0.911 30 20 DBED C=C(C)CCC(=O)N1CCO[C@H](CNC(=O)[C@H]2CCNC2=O)C1 1065227263 YXGLTANEBXROII-OLZOCXBDSA-N 323.393 -0.178 30 20 DBED Cn1nncc1C(=O)N[C@]1(C)CCN(c2ccc(C#N)nn2)C1 1065250401 BRAXGDDBADYCPY-CQSZACIVSA-N 312.337 -0.124 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(C(=O)Cn2ccnc2)CCO1 1065305023 HPYVLANJIUUNBN-CQSZACIVSA-N 316.361 -0.360 30 20 DBED C[C@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1Nc1cncc(C#N)n1 1067042005 HUBBYIHBPQXUFP-ONGXEEELSA-N 313.325 -0.706 30 20 DBED C[C@H]1CN(C(=O)Cn2nccn2)C[C@H]1Nc1nccnc1C#N 1067154185 ZXVSKIAPXJEDHI-CMPLNLGQSA-N 312.337 -0.101 30 20 DBED C#CCNC(=O)CC(=O)N(C)CCCN(C)C(=O)[C@@H](C)C#N 1067239474 YWVZVIZDVVOFKH-LBPRGKRZSA-N 306.366 -0.408 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@@H](CNC(=O)c3cc[nH]c3)C2)nn1 1067696302 RTKONHKVNJPXNH-WCQYABFASA-N 312.333 -0.097 30 20 DBED C#CCNC(=O)CC(=O)N1CC2(C[C@@H](NC(=O)C(C)C)CO2)C1 1068698920 RODWEEYCAWVIKB-GFCCVEGCSA-N 321.377 -0.732 30 20 DBED Cc1nn[nH]c1C(=O)N1CC2(C[C@H](NC(=O)[C@@H](C)C#N)CO2)C1 1069008877 VYPLJNGHLNQQGW-WPRPVWTQSA-N 318.337 -0.628 30 20 DBED CCc1nc[nH]c1C(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1 1070084474 FBQKDSOSTXIAEA-NEPJUHHUSA-N 314.353 -0.258 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)c2cnn[nH]2)CCOCC1 1070164251 LQMJVBTWDLCRNJ-VIFPVBQESA-N 306.326 -0.640 30 20 DBED N#CCN[C@@H]1CN(C(=O)CC[C@H]2CCOC2)C[C@@H]1n1ccnn1 1070171364 CNMCKOJMDZHZTM-MJBXVCDLSA-N 318.381 -0.040 30 20 DBED N#CCN1C[C@H]2C[C@@H]3CN(C(=O)CC4OCCCO4)C[C@@]3(C1)O2 1070790294 VMWYYVBWSYBOSW-XJKCOSOUSA-N 321.377 -0.035 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CCCN(C(=O)CN2CCOCC2=O)C1 1070891298 CBRLPFCIHRLFAY-NWDGAFQWSA-N 322.365 -0.888 30 20 DBED N#CCN1CCNC(=O)CCN(C(=O)[C@@H]2CCCCO2)CC1 1070954956 CQROCOKLIICLLI-ZDUSSCGKSA-N 308.382 -0.270 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CCN(C(=O)CCNC(N)=O)CC1(C)C 1073486502 CSGBVKUOVKWGQP-MNOVXSKESA-N 323.397 -0.052 30 20 DBED CNC(=O)NCC(=O)N1CC[C@H](NC(=O)[C@@H](C)C#N)C(C)(C)C1 1073487519 UHMYQXZIXDPVRU-QWRGUYRKSA-N 323.397 -0.182 30 20 DBED C=C(C)CCC(=O)N1CC(N2CCN(C(=O)C(N)=O)CC2)C1 1073596185 IXTPBOMPRRTLEE-UHFFFAOYSA-N 308.382 -0.817 30 20 DBED CO[C@@H](C)CC(=O)N1CC(N2CCN(C(=O)[C@@H](C)C#N)CC2)C1 1073597170 RQXKGTPVBBSELY-STQMWFEESA-N 322.409 -0.074 30 20 DBED N#CCN1CCCO[C@H](CNC(=O)c2ccc3nn[nH]c3n2)C1 1073629690 DACFZJYKVGXDPO-SNVBAGLBSA-N 315.337 -0.303 30 20 DBED C=C(C)CN1CCO[C@H]2CCN(C(=O)CS(C)(=O)=O)C[C@H]21 1074179222 YGRCNOPMZXMHLP-OLZOCXBDSA-N 316.423 -0.091 30 20 DBED Cn1cccc(C(=O)N2CC[C@@H]3OCCN(CC#N)[C@H]3C2)c1=O 1074382399 KFFZERXMRMSZHL-KBPBESRZSA-N 316.361 -0.176 30 20 DBED C=CCCC(=O)NCC1(O)CCN(C(=O)c2nc[nH]n2)CC1 1074670217 XFCORQRRAOPQHG-UHFFFAOYSA-N 307.354 -0.146 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CCN(C(=O)Cn2ncnn2)[C@@H](C)C1 1074977115 JQGGVCAOIIGUER-QWHCGFSZSA-N 318.381 -0.172 30 20 DBED C=CCOCC(=O)NCC[C@H](C)NC(=O)C[C@H]1CCC(=O)N1 1075917928 OGQZYGDVUCCFKW-NWDGAFQWSA-N 311.382 -0.131 30 20 DBED Cc1nn([C@@H]2CCOC2)cc1C(=O)N[C@@H]1CN(CC#N)C[C@H]1O 1076996585 DWLGZELMOXJQNN-MRVWCRGKSA-N 319.365 -0.549 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)c2cc(C(N)=O)ccn2)C1 1078300622 WPUPVUZUHKGPBM-CHWSQXEVSA-N 304.350 -0.469 30 20 DBED C=CCOCC(=O)N(CC)C1CN(C(=O)[C@H](C)CC(N)=O)C1 1079493834 IRAWHYFZIMZQJA-LLVKDONJSA-N 311.382 -0.240 30 20 DBED C=C[C@](C)(O)CC(=O)N(CC)C1CN(C(=O)c2cnn[nH]2)C1 1079687038 ONBIECKGMJEBGI-AWEZNQCLSA-N 307.354 -0.195 30 20 DBED CCN(C(=O)C#CC1CC1)C1CN(C(=O)C[C@@H]2CCNC2=O)C1 1079739445 UAFSOEJNZKHJQJ-ZDUSSCGKSA-N 317.389 -0.015 30 20 DBED C=CCCOCC(=O)N1C[C@H](O)[C@H](CNC(=O)CCOC)C1 1081131387 QUWKXJJOAXSHKF-OLZOCXBDSA-N 314.382 -0.449 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)c2ccn(C)n2)C[C@H]1O 1081465758 LMKOGNWFXKNLFY-TZMCWYRMSA-N 318.377 -0.371 30 20 DBED CC(C)(C)C(=O)C(=O)N1C[C@@H](O)[C@H](CNC(=O)C#CC2CC2)C1 1081472018 UTJAYYFWCHXYTJ-CHWSQXEVSA-N 320.389 -0.050 30 20 DBED C#CCOCCC(=O)NC[C@H]1CN(C(=O)CCC=C)C[C@H]1O 1081489158 QLUQQIRHJKAAFP-UONOGXRCSA-N 308.378 -0.072 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1083147920 LDOKRVKUNMROMK-SBXGDREPSA-N 302.374 -0.045 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2ccnn2CC(F)(F)F)C1 1083547524 PTPAZZHJFSIFEN-KOLCDFICSA-N 316.283 -0.147 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)c2ccc(=O)n(CC)n2)C1 1083869792 ZCPASZFMENYCQE-OLZOCXBDSA-N 304.350 -0.939 30 20 DBED C#CCCN1CC[C@@H]2CN(C(=O)Cn3nc(C)n(C)c3=O)[C@@H]2C1 1084806109 YFDVVGINNISZEB-ZIAGYGMSSA-N 317.393 -0.554 30 20 DBED CN1C(=O)CN(CC(=O)N2CCCCC[C@@H](NCC#N)C2)C1=O 1088412211 AZCJBYSGLOHVFV-GFCCVEGCSA-N 321.381 -0.235 30 20 DBED Cc1cnc2nc(C(=O)N[C@@H]3CCN(CC#N)C[C@H]3O)nn2c1 1090350393 VUEFBBNHIHIKTM-GHMZBOCLSA-N 315.337 -0.879 30 20 DBED C=C(Cl)CN1CC[C@H](NC(=O)c2nnn(C)n2)[C@H](O)C1 1090495423 HFAYMDPOWQORDO-DTWKUNHWSA-N 300.750 -0.872 30 20 DBED C#CCCN1CC[C@@H](NC(=O)C(C)(C)N2CCOCC2)[C@@H](O)C1 1090640868 LDADKMLEZZAXPI-CABCVRRESA-N 323.437 -0.328 30 20 DBED C=CCCN1CC[C@@H](NC(=O)Cn2nc(C)ccc2=O)[C@H](O)C1 1090750127 ZWKQYRVGVDQOAB-ZIAGYGMSSA-N 320.393 -0.321 30 20 DBED C#CCCN1CC[C@H](NC(=O)C2CCN(CC#C)CC2)[C@H](O)C1 1090830220 JOSOAJCGZITINQ-DLBZAZTESA-N 317.433 -0.094 30 20 DBED CO[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1NC(=O)[C@H](C)C#N 1090864941 NWOIEGYDNUSUOG-YUSALJHKSA-N 300.322 -0.172 30 20 DBED CC(=O)N(C)CC(=O)NCC1CC(N=c2cc[nH]c(C#N)n2)C1 1092199166 HQTHXMXBWSPFRK-UHFFFAOYSA-N 316.365 -0.445 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)[C@@H]3COC(=O)N3)c3nccn32)C1 1092366338 RHDFBMPKENTRDA-ZJUUUORDSA-N 316.321 -0.913 30 20 DBED Cc1cc(C#N)nc(NCCNC(=O)c2cnn(C)c2N)n1 1093561958 LDQMPWUSPJQVFH-UHFFFAOYSA-N 300.326 -0.186 30 20 DBED N#Cc1ccc(NCCNC(=O)c2ccc(C(N)=O)nc2)nn1 1093698872 RONXFSOJPUTXEX-UHFFFAOYSA-N 311.305 -0.316 30 20 DBED C[C@H](C(=O)NCCNc1nccnc1C#N)[C@H]1CCC(=O)N1 1094132892 IGKGMEZFAAQTKZ-VHSXEESVSA-N 302.338 -0.209 30 20 DBED Cc1cc(=NCCNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)c(C#N)c[nH]1 1094136242 AXWQADJVQZVOMH-QWHCGFSZSA-N 317.349 -0.755 30 20 DBED CCN1CCO[C@@H](C(=O)NCCCNc2nccnc2C#N)C1 1094446641 HWJZDOFSUNODMY-CYBMUJFWSA-N 318.381 -0.013 30 20 DBED N#Cc1nc(=NCCCNC(=O)CC2CS(=O)(=O)C2)cc[nH]1 1094651762 FWCAGZHOWKVVCW-UHFFFAOYSA-N 323.378 -0.877 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)Cc3ccon3)CC2=O)C1 1094713805 IWCIWCUTBHNRRS-LBPRGKRZSA-N 302.334 -0.748 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)C3CCC(O)CC3)CC2=O)C1 1094731598 PKQLQSXBLMIFBW-JVWICGRDSA-N 319.405 -0.428 30 20 DBED C#CCCN1CC(N2C[C@@H](NC(=O)[C@]3(C)CCOC3)CC2=O)C1 1094800851 DLTAMKZLGWVLQU-SUMWQHHRSA-N 319.405 -0.162 30 20 DBED CCC(=O)NCC(=O)N1CCCN(c2nccnc2C#N)CC1 1095175662 IQRCTTXVSKXGLX-UHFFFAOYSA-N 316.365 -0.087 30 20 DBED C[C@H](CC(N)=O)C(=O)N1CCCN(c2nccnc2C#N)CC1 1095202517 OKTGVPHHXCFLRL-LLVKDONJSA-N 316.365 -0.102 30 20 DBED CNC(=O)CC(=O)NCC1CCN(c2ccnc(C#N)n2)CC1 1095350504 RRZUPROQPAXBPW-UHFFFAOYSA-N 316.365 -0.183 30 20 DBED CC(=O)NCC(=O)N(C)C1CCN(c2cncc(C#N)n2)CC1 1096094068 KUOJMZQFJPFXJS-UHFFFAOYSA-N 316.365 -0.088 30 20 DBED N#Cc1cnc(N2CC[C@@H](NC(=O)CCc3nc[nH]n3)C2)cn1 1096366847 JKEUQEOLPCEHBZ-SNVBAGLBSA-N 312.337 -0.206 30 20 DBED CNC(=O)NCCC(=O)N[C@H]1CCN(c2ccc(C#N)cn2)C1 1096368205 BGKRMWSKZYPSGO-LBPRGKRZSA-N 316.365 -0.033 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1C)Nc1cnc(C#N)cn1 1098200464 XJVJBALLEPVIDR-ONGXEEELSA-N 302.338 -0.114 30 20 DBED C[C@@H](CNC(=O)[C@@H](C)S(C)(=O)=O)Nc1cnc(C#N)cn1 1098389996 IUPMZHQVWPRXGD-DTWKUNHWSA-N 311.367 -0.302 30 20 DBED COC(=O)NCC(=O)N1CC[C@@H](CNc2cnc(C#N)cn2)C1 1098501112 RKHKBLANIOSHGU-JTQLQIEISA-N 318.337 -0.035 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](n2cc(CNCC#N)nn2)C1 1098674076 YXERVZQOQHYTIH-CQSZACIVSA-N 316.365 -0.295 30 20 DBED CC#CCNCc1cn([C@H]2CCN(C(=O)c3cnn[nH]3)C2)nn1 1098687780 DEYHITUXFMAJAQ-LBPRGKRZSA-N 314.353 -0.404 30 20 DBED N#CCN[C@@H]1CN(C(=O)[C@H]2COC(=O)N2)C[C@H]1C(F)(F)F 1099244694 NYJVFVWUWAFBBI-BWZBUEFSSA-N 306.244 -0.403 30 20 DBED C#CCNC(=O)CN1C[C@H](NC(C)=O)CC2(CCOCC2)C1 1099559048 ZWNHUKPYIWWIGA-CQSZACIVSA-N 307.394 -0.257 30 20 DBED C=CCN1CC[C@H](NC(=O)CNC(=O)N2CCCC2)[C@H](O)C1 1099828954 BDMYPYIAGPKNEU-QWHCGFSZSA-N 310.398 -0.471 30 20 DBED C#CCCN1CC[C@H](NC(=O)CCc2ccnn2C)[C@@H](O)C1 1099861645 WTYGWTBKGMGOLF-GJZGRUSLSA-N 304.394 -0.073 30 20 DBED C=CCCN1CC[C@@H](NC(=O)CCn2cnccc2=O)[C@@H](O)C1 1100051075 RSBQJPUKZDRMIG-KGLIPLIRSA-N 320.393 -0.239 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)C23CCN(CC2)C3)[C@@H](O)C1 1100074158 JTFAFMKEYCUVSX-CABCVRRESA-N 323.437 -0.164 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)[C@@H]2CCCOC2)C1 1100172148 ZTNRVWBPDBCFBI-ROKHWSDSSA-N 307.394 -0.353 30 20 DBED C#CCOCCC(=O)NCC1CC(NCc2cn(C)nn2)C1 1100326118 MNPISQOIDVHUHN-UHFFFAOYSA-N 305.382 -0.161 30 20 DBED CCC(=O)N[C@@H](C)C(=O)NCC1CC(NCC(=O)NCC#N)C1 1100354621 JDWXVOCQLXOSIM-UNXYVOJBSA-N 323.397 -0.975 30 20 DBED CN(CCNC(=O)CCS(C)(=O)=O)c1ccc(C#N)nn1 1100394062 KOXXCNWKVNAQEW-UHFFFAOYSA-N 311.367 -0.665 30 20 DBED CCN(CCNC(=O)CCCC(N)=O)c1cncc(C#N)n1 1100555319 MGKAEPDBSXXQSH-UHFFFAOYSA-N 304.354 -0.054 30 20 DBED CC(=O)NCC(=O)NC[C@H]1CCN(c2ccc(C#N)nn2)C1 1100925914 IVOPHHMTNRGXEQ-LLVKDONJSA-N 302.338 -0.573 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CN(C(=O)c3cnco3)C[C@]2(C)C1 1101316266 ZEWXFSOIJKDUHY-WBMJQRKESA-N 316.361 -0.182 30 20 DBED Cn1nncc1C(=O)NCCN(c1cncc(C#N)n1)C1CC1 1101336309 XPOCQOKMLZQCRA-UHFFFAOYSA-N 312.337 -0.124 30 20 DBED CNC(=O)NCC(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1C#N 1102575309 RTXZDYOCYZNLPN-UWVGGRQHSA-N 315.337 -0.933 30 20 DBED C#CCCN1C[C@@H](C)[C@H](CNC(=O)C[C@@H]2CC(=O)NC2=O)C1 1102623125 SNFRRRHROMLDNN-JHJVBQTASA-N 305.378 -0.253 30 20 DBED CN(C(=O)CNC(N)=O)[C@H]1CCN(c2ccc(C#N)nn2)C1 1102668358 JNFFBCWCCYKXRQ-JTQLQIEISA-N 303.326 -0.946 30 20 DBED COCC#CCN1C[C@@H](C)[C@H](CCNC(=O)c2nnn(C)n2)C1 1103335443 DMISTMJGYSCZSS-CHWSQXEVSA-N 320.397 -0.452 30 20 DBED C#CCN1C[C@@H](C)[C@H](CCNC(=O)[C@H]2COCCN2C(C)=O)C1 1103738802 DSNWUUYGLFMQKE-FVQBIDKESA-N 321.421 -0.059 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H](C)CNc1nccn2nnnc12 1104089476 JLYZVVCMMAMYHZ-MNOVXSKESA-N 317.353 -0.278 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)CCc1cnn[nH]1 1104206509 MCARVPMSBMRCIH-JTQLQIEISA-N 314.353 -0.315 30 20 DBED C[C@H](CNC(=O)[C@H]1CC(=O)N(C)C1)CNc1cncc(C#N)n1 1104254340 FIRMBXHFUFDPIM-QWRGUYRKSA-N 316.365 -0.009 30 20 DBED CC(=O)NCC(=O)NC[C@@H]1CN(c2ccc(C#N)cn2)CCO1 1104283156 IGTSKKVBNIZJMF-CYBMUJFWSA-N 317.349 -0.589 30 20 DBED Cc1cc(N2CCO[C@@H](CNC(=O)C(N)=O)C2)c(C#N)cn1 1104345294 UHGVGZWFZIZPFU-NSHDSACASA-N 303.322 -0.932 30 20 DBED C[C@H](CNc1ccc(C#N)nn1)N(C)C(=O)[C@@H]1CCC(=O)N1 1104642421 CPGHYTFBZWJHCT-KOLCDFICSA-N 302.338 -0.114 30 20 DBED CC(C)[C@@H](CNC(=O)c1cnnn1C)N=c1cc[nH]c(C#N)n1 1105166724 SRAZBHNKTPWKPA-SNVBAGLBSA-N 314.353 -0.235 30 20 DBED CCc1nc(C#N)cc(NC[C@H](O)CNC(=O)[C@@H](C)C#N)n1 1105773706 LWYIBAJQOROGAQ-ONGXEEELSA-N 302.338 -0.041 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H](O)CNC(=O)[C@@H]1CCCCO1 1105819878 NFNWUPLTMZCDFK-OCCSQVGLSA-N 304.350 -0.167 30 20 DBED C[C@@]1(C(=O)NC[C@H](O)CN=c2cc[nH]c(C#N)n2)CCOC1 1105939710 YSEVTNVOBSCKOW-QMTHXVAHSA-N 305.338 -0.914 30 20 DBED C[C@H](CCNc1cncc(C#N)n1)NC(=O)[C@@H]1CN(C)CCO1 1106293111 BKPZXVYJNUEGED-YPMHNXCESA-N 318.381 -0.014 30 20 DBED CCN(CCNc1nccnc1C#N)C(=O)CNC(=O)NC 1106983545 UXGSGNDWVXWSHF-UHFFFAOYSA-N 305.342 -0.462 30 20 DBED CN1CCO[C@@H](C(=O)NC/C=C/CN=c2cc[nH]c(C#N)n2)C1 1107093073 BFIZEAPRZBOPEY-QAVQXKDTSA-N 316.365 -0.815 30 20 DBED Cc1nnc(CC(=O)NCc2cn(C3CN(CC#N)C3)nn2)o1 1107166986 FXXFYPHIMVGYHC-UHFFFAOYSA-N 316.325 -0.791 30 20 DBED CC#CCN1CC(n2cc(CNC(=O)Cn3cncn3)nn2)C1 1107234411 ADZCCNSJFAAQRU-UHFFFAOYSA-N 314.353 -0.934 30 20 DBED C=CCCCN1CCO[C@@](C)(CNC(=O)c2nnn(C)n2)C1 1108138828 VWJUZYQSDQTRAH-AWEZNQCLSA-N 308.386 -0.003 30 20 DBED C[C@@]1(CNC(=O)c2ccc(C(N)=O)[nH]2)CN(CC#N)CCO1 1108220180 OFXUYPXGXUKQLK-CQSZACIVSA-N 305.338 -0.542 30 20 DBED CC#CCN1CCO[C@@](C)(CNC(=O)[C@H]2CN(CC)CCO2)C1 1108408278 DPVAZCIONHCZQI-WBVHZDCISA-N 323.437 -0.063 30 20 DBED O=C(C#CC1CC1)N[C@H]1CC(=O)N(C2CN(CCCO)C2)C1 1108544910 LCKFAEWXZRPXOO-ZDUSSCGKSA-N 305.378 -0.817 30 20 DBED C=C(C)CCC(=O)N[C@H]1CC(=O)N(C2CN([C@@H](C)C(N)=O)C2)C1 1108548624 SCPIRVMTWHLOKK-RYUDHWBXSA-N 322.409 -0.382 30 20 DBED C=CCCN1CC(N2C[C@H](NC(=O)C3(C(N)=O)CC3)CC2=O)C1 1108567930 FNRJCXRMTPWDLC-LLVKDONJSA-N 320.393 -0.771 30 20 DBED C[C@@H](CN(C)c1nccnc1C#N)NC(=O)[C@H]1COCCO1 1108829544 ONNLWNMBEQUXCP-CMPLNLGQSA-N 305.338 -0.295 30 20 DBED C[C@H](CN(C)c1nccnc1C#N)NC(=O)[C@@H]1CCN(C)C1=O 1109184137 ULNWJHYJUXQZPI-MNOVXSKESA-N 316.365 -0.233 30 20 DBED CC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CC[C@@H]1NC(=O)NC1=O 1111374146 BFMNZXRQRRGVCK-XQHKEYJVSA-N 318.377 -0.281 30 20 DBED CN1C[C@H](C(=O)N2C[C@@H]3CCC[C@]3(CNCC#N)C2)NC1=O 1112507762 YMPBWNIYVZBPPJ-ZOWXZIJZSA-N 305.382 -0.248 30 20 DBED COCCC(=O)NC1(CO)CCN(c2ccc(C#N)nn2)CC1 1112645817 ZHCWQDVBOYINPO-UHFFFAOYSA-N 319.365 -0.168 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCN(CC(=O)NCCC)CC1 1112976948 DNYKEYIGCQRKPA-HNNXBMFYSA-N 320.437 -0.246 30 20 DBED C[C@H](NC(=O)CCn1ccnn1)[C@@H](C)N=c1cc[nH]c(C#N)n1 1113016829 JKPIEDHZMJPZEA-MNOVXSKESA-N 314.353 -0.243 30 20 DBED C=CCOCCN1CCN(C(=O)CCCS(N)(=O)=O)CC1 1113283904 YZSLHWKTOSGEDA-UHFFFAOYSA-N 319.427 -0.598 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)c2n[nH]cc2F)CC1 1113314604 NRBUEEVEPHKOCA-JTQLQIEISA-N 309.345 -0.003 30 20 DBED CCn1nc(C)cc1C(=O)N1CCN(CC(=O)NCC#N)CC1 1113375740 ZNVZFMOSOWRZEO-UHFFFAOYSA-N 318.381 -0.391 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)c3ccncc3)[C@H]2C1 1113778132 XKPTWKYGPLOJIV-RZFFKMDDSA-N 312.373 -0.121 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCNC1=O)N(C)c1ccc(C#N)nn1 1113802523 OOBMSBIPUMGHQA-ONGXEEELSA-N 302.338 -0.575 30 20 DBED C[C@H](CNC(=O)c1nnn(C)n1)N(C)c1cncc(C#N)n1 1113815105 UITHXBLBOCLGPX-MRVPVSSYSA-N 301.314 -0.874 30 20 DBED C[C@H](CNC(=O)[C@H]1CNC(=O)N1)N(C)c1ccc(C#N)cn1 1113868881 DONUSOZCNRTNMB-MWLCHTKSSA-N 302.338 -0.424 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)CN(C)C(C)=O)[C@@H]2C1 1113901174 FIHBFQBUSCLGAV-CYZMBNFOSA-N 322.409 -0.798 30 20 DBED C=CCOCC(=O)NC1[C@@H]2CN([C@H](C)C(=O)NC3CC3)C[C@@H]12 1114050799 JADJBQTYEFYDKH-RAIGVLPGSA-N 307.394 -0.098 30 20 DBED N#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3ccc(C#N)[nH]3)[C@H]2C1 1114143468 OYLDUZNYCUVTFF-QWRGUYRKSA-N 312.333 -0.814 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)c3nccn3CC)[C@@H]2C1 1114189437 OWLBJMJRVOTARU-VXGBXAGGSA-N 315.377 -0.688 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)Cc3ccn(C)n3)[C@H]2C1 1114244390 AVNYWDALINHNBF-STQMWFEESA-N 317.393 -0.689 30 20 DBED CCNC(=O)NC(=O)CN1C[C@H]2C(NC(=O)C#CC3CC3)[C@@H]2C1 1114252911 DXOXVKHGDIDXNI-VXGBXAGGSA-N 318.377 -0.708 30 20 DBED Cc1nsc(N2C[C@@H]3C(CNC(=O)CC(N)=O)[C@H]3C2)c1C#N 1114546814 KKRAXSUJQOYVQA-GHMZBOCLSA-N 319.390 -0.003 30 20 DBED N#Cc1nccc(N2C[C@H]3[C@H](CNC(=O)CC(N)=O)[C@H]3C2)n1 1114547456 WOHPTDKCRKEFMW-OWUUHHOZSA-N 300.322 -0.978 30 20 DBED N#Cc1cccnc1N1C[C@H]2C(CNC(=O)Cn3ncnn3)[C@@H]2C1 1114574992 OWVMOSLKNYJRHU-STQMWFEESA-N 324.348 -0.562 30 20 DBED C[C@H](CC(F)F)C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1114581819 MOYHUJZWUDZWPB-DNJQJEMRSA-N 314.336 -0.036 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)c3csnn3)[C@H]2C1 1114639620 ZKRGXEMZLXFLLO-SVDPJWKOSA-N 321.406 -0.111 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3ncccc3F)[C@H]2C1 1115012840 AECNMYIZTNPHTM-YABSGUDNSA-N 316.336 -0.370 30 20 DBED C=CCNC(=O)CNC1(CNC(=O)CNC(C)=O)CCCCC1 1115384673 CXOXEOZHWJOKCJ-UHFFFAOYSA-N 324.425 -0.167 30 20 DBED CNS(=O)(=O)c1ccc(NC(=O)C(=O)NCCC#N)cc1 1116846794 NBZXSLJSIZYZCG-UHFFFAOYSA-N 310.335 -0.437 30 20 DBED CN(C)C(=O)CNC(=O)C(=O)NCc1cccc(OCC#N)c1 1117032694 QMZSRMNCFUDXKY-UHFFFAOYSA-N 318.333 -0.590 30 20 DBED C#CCN1CCC(C(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)CC1 1117532327 BUYAQCZQHYVLMU-JKSUJKDBSA-N 305.422 -0.001 30 20 DBED N#C[C@H]1CC[C@@H](NC(=O)C(=O)N2CCC[C@@H](OCCO)C2)C1 1118181325 XLRXKWNXYUYYNX-YNEHKIRRSA-N 309.366 -0.205 30 20 DBED CNC[C@H](C)NC(=O)C(=O)NCc1cccc(OCC#N)c1 1118549043 UYPHUFYSOKVGBS-NSHDSACASA-N 304.350 -0.071 30 20 DBED C[C@H](CN(C)C(=O)C1CS(=O)(=O)C1)N=c1cc[nH]cc1C#N 1120124772 XCVTVLKHVJBQBG-SNVBAGLBSA-N 322.390 -0.321 30 20 DBED Cc1cc(C#N)nc(N[C@@H](CO)CNC(=O)c2cnsn2)n1 1121092986 WHQSFFOZYFSMJF-SECBINFHSA-N 319.350 -0.289 30 20 DBED CC(C)(C)C(=O)C(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1 1121228089 BIAFCMOCIAMDRU-VIFPVBQESA-N 305.338 -0.726 30 20 DBED COc1ccnc(N[C@H](CO)CNC(=O)c2cc(C#N)c[nH]2)n1 1121266241 RWRVGTNMNBASQT-JTQLQIEISA-N 316.321 -0.112 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)CC2OCCCO2)cn1 1121360386 UIZMDPRPUQDGEX-ZDUSSCGKSA-N 320.349 -0.005 30 20 DBED C#CCCCC(=O)NC[C@H](CO)Nc1ncc(C(=O)OC)cn1 1121372754 ZPDGDSWVXUAFGI-GFCCVEGCSA-N 320.349 -0.044 30 20 DBED Cc1n[nH]c(C)c1C(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1 1121920423 KFBCWJZZFAPBPQ-JTQLQIEISA-N 315.337 -0.687 30 20 DBED N#Cc1nc(=N[C@@H](CO)CNC(=O)[C@@H]2CCC2(F)F)cc[nH]1 1122163810 HFVUKJLNNWOQQZ-BDAKNGLRSA-N 311.292 -0.296 30 20 DBED N#Cc1cncc(N[C@@H](CO)CNC(=O)c2n[nH]cc2F)n1 1122495157 YYVHKOHOYONXTM-MRVPVSSYSA-N 305.273 -0.587 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)CCc2cn[nH]c2)nn1 1122703302 CAGICRWBYCNIMH-GFCCVEGCSA-N 315.337 -0.407 30 20 DBED N#Cc1cccnc1N[C@@H](CO)CNC(=O)[C@H]1CCC(=O)NC1 1122827620 DERIJOALWNWNKF-NWDGAFQWSA-N 317.349 -0.632 30 20 DBED CC(=O)NCC(=O)N1CC[C@@H](Nc2ccc(C#N)nn2)[C@@H]1C 1122904311 RPBRKOZADHOGIJ-JOYOIKCWSA-N 302.338 -0.114 30 20 DBED N#Cc1cnc(N2CC[C@]3(NC(=O)CC(N)=O)CCC[C@H]23)cn1 1123394577 QTOXQYDAXACZTD-XHDPSFHLSA-N 314.349 -0.159 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]cc1C#N)C(=O)[C@@H]1CCOC1 1124140737 MMGKCMBCHDHRBC-YPMHNXCESA-N 304.350 -0.357 30 20 DBED CC(C)C#CC(=O)NCCNC[C@H](O)COC1CCOCC1 1126823528 UYRCIGYCQXEEEX-AWEZNQCLSA-N 312.410 -0.092 30 20 DBED C#CCOCCC(=O)NCc1cnn2c1CN(C[C@H](C)O)CC2 1128363014 POGJYLYGKUACSH-ZDUSSCGKSA-N 320.393 -0.264 30 20 DBED C#CCCN[C@@H]1CN(C(=O)Cc2cc[nH]n2)C[C@@H]1n1ccnn1 1129708684 UMEPKLRRQGUFJS-KGLIPLIRSA-N 313.365 -0.391 30 20 DBED CNC(=O)NCCC(=O)N1C[C@H]2C[C@@H]3CN(CC#N)C[C@]2(C1)O3 1131226886 AFZXZUZNWBDSFJ-LALPHHSUSA-N 321.381 -0.869 30 20 DBED C[C@H](CC(=O)N1C[C@H]2C[C@@H]3CN(CC#N)C[C@]2(C1)O3)NC(N)=O 1131229916 CFGKARAZILWPPG-RTWAVKEYSA-N 321.381 -0.741 30 20 DBED N#CCN1C[C@H]2C[C@H]3CN(C(=O)C(=O)NCC4CC4)C[C@@]3(C1)O2 1131279569 IPJHNBLVSDFSKR-WOSRLPQWSA-N 318.377 -0.662 30 20 DBED C#CCNC(=O)CNCCNC(=O)CCc1nc(C)cs1 1131374632 GKZYCKSWHQXOLH-UHFFFAOYSA-N 308.407 -0.161 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@@H]1CCc2nncn2CC1 1131503644 BJLDGAVITPMZNE-GFCCVEGCSA-N 320.397 -0.761 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)[C@]1(COC)CCOC1 1131905162 GMMWHPLVAJFWGV-WFASDCNBSA-N 313.398 -0.564 30 20 DBED COCC#CCN1C[C@H](NC(=O)Cn2nccn2)CC[C@@H]1C 1132060596 IDRIUBCDXZZAFV-UONOGXRCSA-N 305.382 -0.103 30 20 DBED C#CCCNC[C@H]1CN(C(=O)CN2C(=O)CNC2=O)CC[C@@H]1C 1133306795 QHHBSEOCNCVFEV-STQMWFEESA-N 320.393 -0.364 30 20 DBED N#Cc1ccc(CNCCNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)cc1 1133773976 OJVPZJAJBRPAHA-UONOGXRCSA-N 316.361 -0.203 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)c1ccnn1C 1133872518 WBOFSGZKKLNFAX-NEPJUHHUSA-N 305.382 -0.344 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)C[C@H](C)NCc1nccn1C 1134131345 VAQAKYDWFSLMEH-STQMWFEESA-N 319.409 -0.068 30 20 DBED N#CCNC(=O)CN1CCC2(C1)CN(C(=O)[C@@H]1CCOC1)C2 1147130643 CNMJSYZXSWZTRF-GFCCVEGCSA-N 306.366 -0.803 30 20 DBED COCC#CCN1CCC2(C1)CN(C(=O)[C@@H]1CCC(=O)NC1)C2 1147835488 HWMRVDILURCLBI-CQSZACIVSA-N 319.405 -0.303 30 20 DBED C#CCNC(=O)CN1CCCO[C@H](CNC(=O)[C@@H](F)CC)C1 1150093249 ZREVLPABIMFDMK-OLZOCXBDSA-N 313.373 -0.309 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)C2(C(=O)N(C)C)CC2)C1 1150562996 WDDVDTPHRVFQCO-CYBMUJFWSA-N 307.394 -0.305 30 20 DBED CCS(=O)(=O)CC(=O)NC[C@@H]1CN(CC#N)CCCO1 1150772362 RIMWCCCBKVQMFR-LLVKDONJSA-N 303.384 -0.848 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1ncc2n1CCCC2 1151586637 JRRWWPAAJKFPOC-GFCCVEGCSA-N 317.393 -0.323 30 20 DBED C=CCCOCC(=O)NCCNCC(=O)NCCCOC 1153086283 VOXARLKUARQTJI-UHFFFAOYSA-N 301.387 -0.562 30 20 DBED C#CCOCCC(=O)NC[C@@H](C)N(CC)CCOCCO 1153302844 UDXXQIICSLGUAT-CQSZACIVSA-N 300.399 -0.138 30 20 DBED N#CCNC(=O)CNCCCNC(=O)c1ccn(C(F)F)n1 1158874352 MWYKKPVBQUQTSJ-UHFFFAOYSA-N 314.296 -0.373 30 20 DBED COCC#CCNCCCNC(=O)CCn1ccccc1=O 1159297291 XBGKENCTAIKQKV-UHFFFAOYSA-N 305.378 -0.016 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(COC)CCN(CCO)CC1 1162270258 APVQMNVKQNMHOI-CQSZACIVSA-N 312.410 -0.138 30 20 DBED C[C@@H](CCCCNCC#N)NC(=O)CS(=O)(=O)N(C)C 1176383183 APGXWKIKHGVBSR-NSHDSACASA-N 304.416 -0.334 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)c2ncc(OC)cn2)C1 1184117376 LESXGEUFJNJESW-LLVKDONJSA-N 319.365 -0.409 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)Cc2ccc(O)nc2)C1 1184360299 DAYDMBJNLJSSHQ-CYBMUJFWSA-N 316.361 -0.730 30 20 DBED C#CCNC[C@H]1CCN(C(=O)CCS(=O)(=O)NC)C[C@H]1C 1184411585 FGEPVILORSEODB-CHWSQXEVSA-N 315.439 -0.367 30 20 DBED C#CCNC[C@@H]1CCN(C(=O)Cn2ccc(O)nc2=O)C[C@@H]1C 1184747822 PDUYIVZTNNFZRY-STQMWFEESA-N 318.377 -0.344 30 20 DBED CC#CCCCC(=O)N1CC[C@@H](N[C@H](C)C(=O)NC(N)=O)C1 1184999765 KJAKUCYDUZISDM-VXGBXAGGSA-N 308.382 -0.046 30 20 DBED C=CCN1CC[C@@H](N[C@@H]2CCN(C(=O)CC(=O)N(C)C)C2)C1=O 1186178261 ZUPDNWZTBZZGKB-CHWSQXEVSA-N 322.409 -0.558 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CCO[C@H]2C(=C)C)C1 1186243900 ZKATXCXPQNGTCM-YCPHGPKFSA-N 319.405 -0.093 30 20 DBED N#CCN1C[C@@H]2CCN(C(=O)CNC(=O)c3cccnc3)[C@@H]2C1 1189203599 IQPJCAHWAQSAEC-UONOGXRCSA-N 313.361 -0.132 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@@H]1CCN(C(=O)CC(=O)NCC)C1 1189787710 PVFOOXXPDKZRFW-CHWSQXEVSA-N 322.409 -0.817 30 20 DBED C=CCCN1C[C@@H]2CCN(C(=O)CS(=O)(=O)NC)[C@@H]2C1 1190227778 PYHCTKJSOSAYOY-NWDGAFQWSA-N 301.412 -0.356 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)c2cc[n+]([O-])cc2)C1 1190803481 LYEOLPPTDROHJY-ZIAGYGMSSA-N 307.350 -0.703 30 20 DBED CCN(CCC#N)C(=O)CN1C[C@@H](O)[C@H](NC(=O)C(C)C)C1 1191041161 AMCVMDAXCBEYEH-CHWSQXEVSA-N 310.398 -0.434 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)CCC(C)(C)C)C1 1197073971 GQKHEGZFKKGENS-CHWSQXEVSA-N 309.410 -0.277 30 20 DBED C=CCOCCN1CCCN(C(=O)C[C@H]2CC(=O)NC2=O)CC1 1198422728 FKPZEUFIUWHYDS-CYBMUJFWSA-N 323.393 -0.224 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(Cc2nccn2C)C[C@H]1O 1199284497 DSRBMNMNWPCKQY-CHWSQXEVSA-N 308.382 -0.326 30 20 DBED C#CCNC(=O)CNC[C@H]1CN(C(=O)c2ccco2)CCCO1 1199699667 ZZPOFVMYBSUMQF-ZDUSSCGKSA-N 319.361 -0.150 30 20 DBED CN(CC(=O)N1CCCO[C@H](CNCC#N)C1)C(=O)C1CC1 1200642513 ZWQLTTUVGGNWFE-CYBMUJFWSA-N 308.382 -0.415 30 20 DBED N#CCNC(=O)CNC[C@H]1CN(C(=O)[C@H]2CC23CC3)CCCO1 1201484256 RYQREHOXAGPLKN-QWHCGFSZSA-N 320.393 -0.367 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)c2coc(OC)n2)CC1 1201840007 OBOXUFLPYVDSSM-UHFFFAOYSA-N 320.349 -0.373 30 20 DBED Cc1ncc(C(=O)N2CCC(NCC(=O)NCC#N)CC2)n1C 1202171198 MWNIPWHEHDTLOC-UHFFFAOYSA-N 318.381 -0.438 30 20 DBED CCO[C@H]1C[C@H]1C(=O)N1CCC(CNCC(=O)NCC#N)CC1 1204615165 XNTQWROKMRLLTH-KGLIPLIRSA-N 322.409 -0.121 30 20 DBED C#CCNC(=O)[C@H](C)NCC1CCN(C(=O)[C@@H](C)OC)CC1 1204649352 AQSPCZMHRVBKMV-QWHCGFSZSA-N 309.410 -0.013 30 20 DBED CC#CCN1C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)CC)[C@H](C)C1 1207043988 BBLTULTVMLVOLP-FRRDWIJNSA-N 315.439 -0.226 30 20 DBED Cn1ccc(C(=O)N2CCC[C@@H](NCC(=O)NCC#N)C2)c1 1207795245 IBNNPILEMXIQJK-CYBMUJFWSA-N 303.366 -0.141 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)[C@@H](C)n2cncn2)C1 1207829948 VKXBPHJDMHCCSS-OLZOCXBDSA-N 320.397 -0.278 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)[C@@]1(F)CCOC1 1208405145 LPQIKTJHQCGDLR-JTNHKYCSSA-N 312.345 -0.809 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)C2(CN(C)C)CC2)[C@H](C)C1 1208425777 XUOVOUNNBVEPMI-ZIAGYGMSSA-N 320.437 -0.486 30 20 DBED CC#CCN[C@H]1CCCN(C(=O)C(C)(C)NS(C)(=O)=O)C1 1210011068 TXVAQKRMEPCFGU-LBPRGKRZSA-N 315.439 -0.082 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)c2nc(C)c[nH]2)C1 1210045409 MIRZTUPXMDXHGY-LBPRGKRZSA-N 303.366 -0.338 30 20 DBED CO[C@@H]1CN(CCS(C)(=O)=O)C[C@H]1NC(=O)[C@@H](C)C#N 1212038969 CCZLHFJEASJSJI-HBNTYKKESA-N 303.384 -0.994 30 20 DBED C=CCCN1C[C@@H](NC(=O)[C@@H](C)NS(C)(=O)=O)[C@H](OC)C1 1213492033 ZOOWZOIPCHKBEJ-IJLUTSLNSA-N 319.427 -0.684 30 20 DBED C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1N[C@H]1CCCNC1=O 1214169855 GSHDGFLKFOPJJF-GRYCIOLGSA-N 310.423 -0.042 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)c2cnnn2CC)C[C@H]1C 1214559361 GYMXFTWNJYLBNW-VXGBXAGGSA-N 318.381 -0.903 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)C[C@@H]2CCNC2=O)C[C@H]1C 1214842896 CIVGQMXDCAYYDQ-FRRDWIJNSA-N 322.409 -0.749 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)c2conc2C)C[C@H]1C 1215444280 JSXUSBIKLRUFNN-ZWNOBZJWSA-N 304.350 -0.217 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)CCN(C)CC)C[C@H]1C 1216217005 GGVVNWRXZFLJBZ-ZIAGYGMSSA-N 308.426 -0.486 30 20 DBED C=CCCC(=O)N1CCO[C@@H]2CN(Cc3nnn(C)n3)C[C@@H]21 1217475853 JGEHPBREPHISRU-NWDGAFQWSA-N 306.370 -0.412 30 20 DBED CCCN(C)CC(=O)N1CCO[C@@H]2CN(CC#CCOC)C[C@@H]21 1219006195 BZZYOHABKQBADF-JKSUJKDBSA-N 323.437 -0.110 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)c2c(C)noc2C)C1 1219163119 GNVICFCWUKGPBD-OLZOCXBDSA-N 307.350 -0.284 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)CC(C)(C)C)C1 1219200052 RVFVRCXELHHGMC-UPJWGTAASA-N 309.410 -0.278 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2scnc2C)C1 1219237836 MENLOPGWGQIMMZ-MNOVXSKESA-N 324.406 -0.471 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)C2=CCCC2)C1 1219455440 KEFIUWPXHNVKEX-BNOWGMLFSA-N 305.378 -0.604 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)CCCCNC(N)=O)C1 1219961012 HDNNZEGHCQMFLA-MNOVXSKESA-N 318.805 -0.261 30 20 DBED C=C(C)C(C)(C)C(=O)N[C@@H]1CN(Cc2nnn(C)n2)C[C@@H]1O 1220123971 SPUTWWPFDNKATG-MNOVXSKESA-N 308.386 -0.526 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCCC2(C)C)C1 1220165452 BHZCCLPYSJGIOB-MJBXVCDLSA-N 321.421 -0.277 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)CN2CC[C@H](C)C2)C1 1220355694 ZAKCAXHGZOKERJ-ZNMIVQPWSA-N 309.410 -0.861 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C2(CF)CCC2)C1 1220392970 SCUJSMKRECPRFS-NEPJUHHUSA-N 313.373 -0.410 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)c2ccc(C)nc2O)C1 1220422340 WNMHGCASZKXOAC-KGLIPLIRSA-N 319.361 -0.480 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H]2CCN(C[C@@H]3CCOC3)C[C@H]21 1221496008 CYIHXVMOIGNKCP-RRFJBIMHSA-N 319.405 -0.305 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCCC[C@H]1N[C@H](C)C(N)=O 1225779135 JVAKSKIBWNGDSY-IJLUTSLNSA-N 308.382 -0.983 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1csnn1 1227776606 QXKBNJNBVBQSTE-NXEZZACHSA-N 322.394 -0.192 30 20 DBED C=CCN1CCS(=O)(=O)[C@@H](CCNC(=O)COCC)C1 1230413420 NAEWJGUEGMSELO-LBPRGKRZSA-N 304.412 -0.186 30 20 DBED C[C@H](C(=O)N(C)C[C@H]1CCN1CC(=O)NCC#N)n1cncn1 1233750573 GPEDYXFSKPZYKZ-VXGBXAGGSA-N 319.369 -0.988 30 20 DBED COCC#CCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCNC1=O 1235601198 JIKYAHVJAUXAHY-ZIAGYGMSSA-N 307.394 -0.305 30 20 DBED C=CCN1CCC(NC(=O)C(=O)N[C@H](C)c2ncn(C)n2)CC1 1258205304 WEXMEEHKLAYOPV-LLVKDONJSA-N 320.397 -0.241 30 20 DBED CN1CCN(C)[C@@H](CNC(=O)C(=O)N2CCC(C#N)CC2)C1 1258382318 HBCWHINYDIRHAY-ZDUSSCGKSA-N 307.398 -0.889 30 20 DBED N#CCn1cc(NC(=O)C(=O)N2CCN3C(=O)CC[C@@H]3C2)cn1 1319876553 WMXZVSSVVVGZQI-LLVKDONJSA-N 316.321 -0.822 30 20 DBED CONC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 1320728965 TVEUCTPBGQXJDP-UHFFFAOYSA-N 300.278 -0.186 30 20 DBED C#CCNC(=O)C1CCN(S(=O)(=O)N2CCOCC2)CC1 1321298852 NFPTYVZNNGABQX-UHFFFAOYSA-N 315.395 -0.975 30 20 DBED C=CCN(CC=C)C(=O)C(=O)NCCS(=O)(=O)NC(C)C 1323732758 RLPLAOBIIMVQOB-UHFFFAOYSA-N 317.411 -0.369 30 20 DBED C=C[C@@H](C)ONC(=O)C(=O)Nc1cnn(CC(=O)N(C)C)c1 1326799136 AQWAHATYLPREPP-SECBINFHSA-N 309.326 -0.468 30 20 DBED C=CCn1cc(CNC(=O)c2nc(O)nc(O)c2OC)nn1 1327996878 LESPMNHWJYGNCK-UHFFFAOYSA-N 306.282 -0.396 30 20 DBED Cc1nn(C)cc1[C@H](C)NC(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1328258745 WJIWTCMDGQWALO-BONVTDFDSA-N 319.365 -0.217 30 20 DBED CS(=O)(=O)CCOCCNC(=O)N1CC[C@](O)(CC#N)C1 1329238994 GYJDHZKWEWVZMO-GFCCVEGCSA-N 319.383 -0.892 30 20 DBED CC#CC[C@H](CO)NC(=O)C(=O)Nc1cnn(CCOC)c1 1332178453 DAVOOTHALUXDTR-LLVKDONJSA-N 308.338 -0.642 30 20 DBED N#C[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)C1 1333192064 ADSDOARUHISKCU-GHMZBOCLSA-N 304.350 -0.372 30 20 DBED C#CCN1CCC[C@@H](NC(=O)N2CCS(=O)(=O)C[C@@H]2C)C1 1333676235 BJWXZJMCDWEVBK-QWHCGFSZSA-N 313.423 -0.088 30 20 DBED C#CC1CCN(C(=O)C(=O)N[C@@H]2CCCN(CC)C2=O)CC1 1336251571 ZLKCIBAVKJPDKC-CYBMUJFWSA-N 305.378 -0.015 30 20 DBED CO[C@@H]1CCC[C@H]1NC(=O)CCn1cc(C#N)c(O)nc1=O 1362879210 RCRDLIRJZLNXMZ-GHMZBOCLSA-N 306.322 -0.106 30 20 DBED N#Cc1cn(CCC(=O)NC2CCC(CO)CC2)c(=O)nc1O 1362888107 OAGCXNAJUFZXED-UHFFFAOYSA-N 320.349 -0.122 30 20 DBED CNC(=O)NC(=O)CCN(C)CCCc1[nH]nc(N)c1C#N 1364686714 ZUUILUYXHLRZMD-UHFFFAOYSA-N 307.358 -0.426 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)NC[C@H]1CCN(C(N)=O)C1 1364909339 VAGMZPCSUTXAFE-NXEZZACHSA-N 303.388 -0.687 30 20 DBED C=C(Cl)CNC[C@@H](O)CNC(=O)[C@@H]1CCc2nncn2C1 1367627729 GRWVRBRDMDMWGB-GHMZBOCLSA-N 313.789 -0.340 30 20 DBED C=C(Cl)CNC[C@H](C)NC(=O)CN1CCN(C)C(=O)C1 1367743531 RJZQPSZYXQYDSH-NSHDSACASA-N 302.806 -0.393 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(O)(CN[C@@H](C)C(=O)NC2CC2)CC1 1368678599 KMDKZHXDONFLPD-RYUDHWBXSA-N 322.409 -0.244 30 20 DBED COCCn1cc(C(=O)N[C@H]2C[C@H](NC(=O)[C@H](C)C#N)C2)nn1 1372573938 YSPXJCSJESVCHP-GMTAPVOTSA-N 320.353 -0.539 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H](CNC(=O)Cn2cnnn2)C1 1372647016 LOGXNMKFVNWRBB-MNOVXSKESA-N 305.342 -0.812 30 20 DBED C=C(Cl)CNC[C@@H](O)CNC(=O)[C@@H]1CCCN(C(N)=O)C1 1374631753 VJKNEEINLORROA-GHMZBOCLSA-N 318.805 -0.404 30 20 DBED C=C(Cl)CN1CC[C@@](O)(CNC(=O)c2cnn(C)c2N)C1 1380539314 MXMBFBSDXIPBKL-CYBMUJFWSA-N 313.789 -0.079 30 20 DBED C=C(Cl)CN1CC(O)(CNC(=O)[C@@H]2CCC(=O)NC2)C1 1380600144 ZOLKQECTGOSVLU-SNVBAGLBSA-N 301.774 -0.572 30 20 DBED C[C@H](C#N)C(=O)N1CCN(CCNC(=O)[C@@H]2CCCCO2)CC1 1385524913 IJXYXFLKTQCRDY-KGLIPLIRSA-N 322.409 -0.024 30 20 DBED CCN(CCNC(=O)[C@@H](C)C#N)C(=O)[C@@H]1CCCN(C(N)=O)C1 1388408048 QMCLCUTXDZDTMZ-NWDGAFQWSA-N 323.397 -0.099 30 20 DBED CNC(=O)NCCC(=O)N(CCNC(=O)[C@@H](C)C#N)C1CC1 1388678720 NQWCCLONQKBIAL-JTQLQIEISA-N 309.370 -0.428 30 20 DBED COc1ncccc1C(=O)NC[C@@H](O)CNC(=O)[C@H](C)C#N 1399854769 BCGRKSDIYAQWAK-ZJUUUORDSA-N 306.322 -0.543 30 20 DBED C[C@@H](C(=O)NCC1CCS(=O)(=O)CC1)n1cnc(C#N)n1 1411991735 CSHLPCPGCBWVNE-VIFPVBQESA-N 311.367 -0.348 30 20 DBED C[C@H](CCC#N)N1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 1412961577 PSPKEMHTPLJZDB-AGIUHOORSA-N 301.412 -0.546 30 20 DBED N#Cc1ccc(S(=O)(=O)NC[C@@H]2CCN(C(N)=O)C2)cn1 1413404136 LBAVLGCIZDRLNK-VIFPVBQESA-N 309.351 -0.368 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1C[C@@H](NC(=O)c2cnn(C)c2N)C1 1414222204 YERCXFDHTOLBKE-LPEHRKFASA-N 304.354 -0.213 30 20 DBED C=C(Cl)CNC[C@H](O)CNC(=O)CCn1cnccc1=O 1420188474 VMYFNDKPUDNFHS-NSHDSACASA-N 314.773 -0.547 30 20 DBED C[C@@H]1NC(=O)[C@@H](C)N(C(=O)NCCn2cnc(C#N)n2)[C@@H]1C 1427473719 YSAZTFUKBZGKHA-IVZWLZJFSA-N 305.342 -0.543 30 20 DBED CC(=O)N(C)CC(=O)N1C[C@H]2CCN(C(=O)[C@H](C)C#N)C[C@H]21 1428947861 HAMXIMKZMARDRO-RAIGVLPGSA-N 306.366 -0.316 30 20 DBED C[C@H](C#N)C(=O)N1CCCO[C@H](CNC(=O)Cc2cc[nH]n2)C1 1445237217 FPSQTAKTHXOERZ-DGCLKSJQSA-N 319.365 -0.154 30 20 DBED N#Cc1ncn(CC(=O)Nc2ccc(C(=O)NCCO)cc2)n1 1447152240 FKFMYUKLAHOFLG-UHFFFAOYSA-N 314.305 -0.489 30 20 DBED C[C@@H](C#N)C(=O)N1CC([C@H](C)NC(=O)CCS(C)(=O)=O)C1 1450342226 BNSPZJZVENIKPK-UWVGGRQHSA-N 315.395 -0.456 30 20 DBED C[C@H](CNC(=O)c1ccc(C(N)=O)cn1)CNC(=O)[C@H](C)C#N 1451615346 UFTICEKXFBQQBJ-VHSXEESVSA-N 317.349 -0.178 30 20 DBED CN(CCNC(=O)CO[C@H]1CCOC1)C(=O)c1ccc(C#N)[nH]1 1455287146 NKRJMOQCDGDBLE-LBPRGKRZSA-N 320.349 -0.120 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H](C)CNC(=O)c1cn(C)c(=O)nc1O 1486876020 ONESGDSTYNORDR-RKDXNWHRSA-N 321.337 -0.778 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CCN(C(=O)CN2CCOCC2)C1 1495193327 GLDGIZJJZLLBSF-STQMWFEESA-N 308.382 -0.557 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)N1CCC[C@@H]1CNCCO 1495593344 XQFLHMUSWLHGMB-GFCCVEGCSA-N 312.414 -0.177 30 20 DBED C[C@@H](C#N)C(=O)NC1CN(C(=O)Cc2nc3ncccn3n2)C1 1498384408 XNIWNHDRTLJZCK-VIFPVBQESA-N 313.321 -0.847 30 20 DBED N#Cc1ccc(C(=O)NC[C@@H](O)CNC(=O)[C@H]2CCCO2)[nH]1 1501408715 CKPSBNNHALLMSF-ZYHUDNBSSA-N 306.322 -0.728 30 20 DBED C[C@H](C#N)C(=O)N(C)CCNC(=O)CCn1cnccc1=O 1528597551 SJAPMOSPHRDECO-LLVKDONJSA-N 305.338 -0.632 30 20 DBED Cn1cccc1C(=O)NC[C@H](O)CNC(=O)c1ccc(C#N)[nH]1 1533183891 OWEYONOUQUHZSE-LLVKDONJSA-N 315.333 -0.254 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1cn(C(C)(C)C)nn1 1533287149 KJUVLFJSAAJINM-NXEZZACHSA-N 322.369 -0.600 30 20 DBED C=CCOCC(=O)N[C@H]1CCCN(C(=O)CNC(=O)O)CC1 1573369081 OCVSIDACYKRXJD-NSHDSACASA-N 313.354 -0.046 30 20 DBED C[C@@]12CNC[C@@H]1CN(C(=O)CCN/C(O)=C1/N=CC=CC1=O)C2 1579474254 UHBHXAJVSMFLBZ-BXTIPBLWSA-N 318.377 -0.029 30 20 DBED N#C[C@H]1CSCCN1C(=O)C[C@H]1CNCCS1(=O)=O 1580044917 MCOBNWFDUXBCOO-UWVGGRQHSA-N 303.409 -0.769 30 20 DBED C#C[C@@H]1COCCN1C(=O)C(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)O)C1 1588383488 BDEARQNIIXJKBK-RSQPEXBXSA-N 306.318 -0.784 30 20 DBED C[C@@H]1CN(C(=O)Cn2cnc(-c3nn[nH]n3)c2C#N)CCO1 1603920581 JRLLVIFGBVHXSO-MRVPVSSYSA-N 302.298 -0.818 30 20 DBED CO[C@H](Cn1c(=O)c(C#N)cn(CC(=O)O)c1=O)[C@H]1CCOC1 1604480909 PWNDDJIOKKADCO-GXSJLCMTSA-N 323.305 -0.982 30 20 DBED N#CC1CCC(CNC(=O)C(=O)N2CCO[C@H](C(=O)O)C2)CC1 1605583401 SYQLFKXJYJGBTQ-MCIGGMRASA-N 323.349 -0.255 30 20 DBED N#CCNC(=O)CNC(=O)Nc1cc(-c2nn[nH]n2)ccc1F 1606349521 CGQRQBDRDIXASD-UHFFFAOYSA-N 318.272 -0.233 30 20 DBED N#Cc1ccc(CNC(=O)c2nc3ncc(CCO)cn3n2)nc1 1638375926 GFFQFLNYCQJHGZ-UHFFFAOYSA-N 323.316 -0.144 30 20 DBED COCC#CCNC[C@H]1CCCN1C(=O)[C@H]1CCNC(=O)C1 1714333726 NAQWCILLIYHCSQ-UONOGXRCSA-N 307.394 -0.257 30 20 DBED C[C@@H](CCNC(=O)c1ccc(-n2cnnn2)cn1)NCC#N 1733905668 NSEUKZRBCHLXMV-JTQLQIEISA-N 300.326 -0.321 30 20 DBED CC#CCN(C)CCCNC(=O)c1c[nH]nc1S(N)(=O)=O 1752059103 GNGRJOBJEBFUIN-UHFFFAOYSA-N 313.383 -0.868 30 20 DBED C#CCN1CCN(CCNC(=O)[C@H](C)Cc2cnc[nH]2)CC1 1752374655 MOKRSGFJDWIKEB-CQSZACIVSA-N 303.410 -0.045 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC[C@H]1CNC(=O)CCN(C)C 1753111385 HSLREBKTQDTIME-KBPBESRZSA-N 308.426 -0.343 30 20 DBED C=CCCN(C)C[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 1753358749 AXKAGHZINBYBKY-LBPRGKRZSA-N 308.382 -0.105 30 20 DBED COc1ccnc(C(=O)NC2CN(CC(=O)NCC#N)C2)c1 1753384096 RREQNIXEZIQQBP-UHFFFAOYSA-N 303.322 -0.856 30 20 DBED CCCOCC(=O)N1CC[C@H]2[C@@H](CCN2CC(=O)NCC#N)C1 1753870738 GBHUVLWJUFBPCG-KBPBESRZSA-N 322.409 -0.024 30 20 DBED C=CCNC[C@H](O)CNC(=O)c1ccnc(-n2cncn2)c1 1753945528 AXYIEZWHJJJZEI-LBPRGKRZSA-N 302.338 -0.471 30 20 DBED CC#CCNC[C@@H](O)CNC(=O)c1ccccc1-n1ccnn1 1753946787 JDAXKEDSOAJEQF-CYBMUJFWSA-N 313.361 -0.029 30 20 DBED C=CCN1CC[C@H](NCC[C@H](C)NC(=O)c2cn(C)nn2)C1=O 1753962051 IWUQUECHBZEENT-RYUDHWBXSA-N 320.397 -0.300 30 20 DBED C=CCN1CC[C@H](NC[C@@H](C)NC(=O)Cc2cc[nH]n2)C1=O 1754221903 UXLXONJNZZXVPS-YPMHNXCESA-N 305.382 -0.167 30 20 DBED C#CCNC(=O)CNC[C@@H](C)NC(=O)CCc1ccnc(C)n1 1754235843 PPMKYLPIUVAVIA-GFCCVEGCSA-N 317.393 -0.439 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@H]1CCN1CCN1C(=O)CCC1=O 1754480544 JBRFHSQVXDRHMO-WBMJQRKESA-N 323.393 -0.347 30 20 DBED C#CCCCC(=O)N[C@]1(CO)CCCN([C@@H](CC)C(N)=O)C1 1754854119 MVQCBQURBUUJFU-XJKSGUPXSA-N 309.410 -0.003 30 20 DBED C=C(C)CNC[C@@H]1CN(C(=O)C[C@@H]2CC(=O)NC2=O)CCO1 1755017363 MFQKUQFJBHDJHK-NWDGAFQWSA-N 309.366 -0.568 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)[C@@H](CC(C)C)C(N)=O)CO2)C1 1755067873 LLPQWPJEOXENDT-OLZOCXBDSA-N 307.394 -0.273 30 20 DBED C[C@@H](CN(C)C(=O)c1ccn(C)c(=O)c1)NCC(=O)NCC#N 1755594296 PBSYNKJWMCUDEX-NSHDSACASA-N 319.365 -0.925 30 20 DBED C=CCNC(=O)CNC1CC(N(C)C(=O)c2cnnn2C)C1 1755856410 YCEYKBWPPQYQLW-UHFFFAOYSA-N 306.370 -0.690 30 20 DBED C#CCNCCOCCN(C)C(=O)Cc1nnn(C(C)(C)C)n1 1755873026 IKJVKZVAVCZWIG-UHFFFAOYSA-N 322.413 -0.332 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@H](C)N(C)C(=O)c1cnnn1C 1756020547 LHTYBPUKVHMCPF-YGRLFVJLSA-N 309.370 -0.281 30 20 DBED C#CCOc1ccc(C(=O)N(C)C[C@H](C)NC(=O)C(N)=O)cc1 1756455969 XIMBTJBVJZPTDK-NSHDSACASA-N 317.345 -0.239 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H](O)CN(C)C(=O)c1ccnnc1 1756680446 LIBRVQBNRWCQQJ-DGCLKSJQSA-N 320.349 -0.936 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@H]1N(C(=O)COC)C2 1757043657 ZEOAIEUIGVMIHV-JHJVBQTASA-N 321.377 -0.732 30 20 DBED COC1CCN(S(=O)(=O)N[C@@H](CCC#N)C(=O)O)CC1 1777167327 MNIANAQAHYVWFO-JTQLQIEISA-N 305.356 -0.311 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1n[nH]c(C)c1F)CCO2 1783048307 YPEBYWBEVIMRKM-OAHLLOKOSA-N 320.324 -0.066 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(O)nn1 1794567434 IQENQVORUOZVMQ-WDAIWFPHSA-N 316.317 -0.981 30 20 DBED C#CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CNC(N)=O)n[nH]1 1823540264 PBXJEQMMDJJYHS-SNVBAGLBSA-N 318.337 -0.297 30 20 DBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)COCC)C2)C1 1839806839 LJVBHSOTUZCAET-OAHLLOKOSA-N 310.350 -0.888 30 20 DBED C#CCCCC(=O)N1CC2(CCCN2C(=O)C2=NNC(=O)C2)C1 1844224803 FFUDQLWIVHPXDA-UHFFFAOYSA-N 316.361 -0.131 30 20 DBED C=CCNC(=O)NC(=O)Cn1cc(C(=O)OC)cc(C#N)c1=O 42726357 JDLBOFXWGFUXLI-UHFFFAOYSA-N 318.289 -0.482 30 20 DBED C#CCNC(=O)CN1CCN(Cc2ccc(C(N)=O)cc2)CC1 46093195 HTFJYLKTWUWIJF-UHFFFAOYSA-N 314.389 -0.348 30 20 DBED C[C@@H]1CCCC[C@]12NC(=O)N(C/C(O)=N/C1=NCC(=O)N1)C2=O 50222892 OSAJXGFXVDOIME-CLAHSXSESA-N 321.337 -0.071 30 20 DBED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCNC(=O)[C@@H]2C)CC1 245554527 HDQJVXAXWYOCQF-UONOGXRCSA-N 321.425 -0.501 30 20 DBED C=CCCC(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 276026363 BFVQWXUWPPVYOA-UHFFFAOYSA-N 307.354 -0.559 30 20 DBED O=C1NC[C@H]2CN(C/C(O)=N/Cc3cccnc3)CCN2C1=O 330121293 GVBGZCGNXATRJO-LBPRGKRZSA-N 317.349 -0.819 30 20 DBED C[C@@H](C#N)NC(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1 330622451 NUYSFPVGUSYXIR-STQMWFEESA-N 308.382 -0.272 30 20 DBED C[C@H](/N=C(/O)c1cn(CC(=O)N(C)C)nn1)C(=O)NC(C)(C)C 330681607 GMJMIGWFGCBOLI-VIFPVBQESA-N 324.385 -0.026 30 20 DBED CCS(=O)(=O)C[C@H](C)N(C)/C(O)=N/[C@H]1CC(=O)N(C)C1 331117129 KWZWQGQGZXEPBH-UWVGGRQHSA-N 305.400 -0.114 30 20 DBED CN(CC1CCOCC1)S(=O)(=O)N1CCO[C@@H](C#N)C1 336946295 OEDDLRSCVCEQSK-LBPRGKRZSA-N 303.384 -0.186 30 20 DBED CCC[C@H](CCO)CNS(=O)(=O)N1CCO[C@H](C#N)C1 337086377 FAIDQURGSQXYDH-VXGBXAGGSA-N 305.400 -0.156 30 20 DBED C[S@](=O)C1(CNS(=O)(=O)N2CCO[C@@H](C#N)C2)CCC1 337206250 MCTWGANEPXQAOG-OVWNDWIMSA-N 321.424 -0.654 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)c2ncc(OC)cn2)CC1 338660796 MWWRLVWTEITMJT-UHFFFAOYSA-N 319.365 -0.455 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)Cn2ccnc2C)CC1 339034607 LGXUMSQSQLJWFG-UHFFFAOYSA-N 305.382 -0.362 30 20 DBED N#C[C@@H]1CN(C(=O)NCc2cccc(OCC(N)=O)c2)CCO1 341324278 WGEJDKWISQYTSF-CYBMUJFWSA-N 318.333 -0.015 30 20 DBED N#CCNS(=O)(=O)CCCS(=O)(=O)N1CCC12CCC2 349474880 KRFMMDZCMFQHCD-UHFFFAOYSA-N 321.424 -0.222 30 20 DBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1nc[nH]n1 359792795 AOPKKFZTMUKEGH-MRVPVSSYSA-N 320.334 -0.018 30 20 DBED C=CCn1cc(CNC(=O)N2CCO[C@H](CC(=O)OC)C2)nn1 425884826 XLRWAUPQNRSUNF-GFCCVEGCSA-N 323.353 -0.062 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@]23CCNC3)CC1 444166121 JOUUVWWSTAJQQD-BBRMVZONSA-N 306.410 -0.568 30 20 DBED N#Cc1ncn(CCNC(=O)N=c2cc[nH]cc2[N+](=O)[O-])n1 479086789 SRYWQWACCIVXSK-UHFFFAOYSA-N 302.254 -0.303 30 20 DBED C#CC(C)(C)NC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C 490655436 AMWOUNCDDCKFNG-UHFFFAOYSA-N 302.334 -0.283 30 20 DBED C#CCN1CCN(C(=O)CN2CCN(CC(C)(C)O)CC2)CC1 490781133 WVXSKBKAGHKQRL-UHFFFAOYSA-N 322.453 -0.848 30 20 DBED N#Cc1ccc(OCC(=O)NC[C@@H]2CS(=O)(=O)CCO2)cc1 535786825 USUWIRAGCGFHHV-CYBMUJFWSA-N 324.358 -0.133 30 20 DBED COC(=O)C[C@H](NS(=O)(=O)N(C)[C@@H](C)CC#N)C(=O)O 565779902 YXZVAPKHYWAASW-YUMQZZPRSA-N 307.328 -0.929 30 20 DBED CN1C(=O)Cc2cc(S(=O)(=O)N3CC(O)(CC#N)C3)ccc21 568266228 NIWBPBGQCHUZRN-UHFFFAOYSA-N 321.358 -0.145 30 20 DBED N#Cc1ccc(N2CCC[C@H](N=c3[nH]c(=N)[nH]c(=N)[nH]3)C2=O)cc1 599064693 FYVCJQGTGFMDNX-NSHDSACASA-N 324.348 -0.402 30 20 DBED COCCN(CCC#N)S(=O)(=O)NCc1nccc(C)n1 599344928 KQEAMGZWYBCTBX-UHFFFAOYSA-N 313.383 -0.019 30 20 DBED CCN(CC)S(=O)(=O)CC(=O)N1CCN(CCC#N)CC1 602207757 FEKJJYMRSRNVHN-UHFFFAOYSA-N 316.427 -0.284 30 20 DBED C[C@H](Cn1cccn1)NC(=O)C(=O)N1CCN(CCC#N)CC1 602228853 WETHGJODLXOQIY-CYBMUJFWSA-N 318.381 -0.554 30 20 DBED C[C@@H](CNC(=O)C(=O)N1CCN(CCC#N)CC1)N(C)C1CC1 602242701 PNBHARYKRIQTSH-ZDUSSCGKSA-N 321.425 -0.357 30 20 DBED CCN(CCC#N)C(=O)Cn1cc(CN2CCOCC2)nn1 603208789 KIQRDUJDSLMABL-UHFFFAOYSA-N 306.370 -0.128 30 20 DBED Cc1ccc(C(=O)N2CCN(CC#N)CC2)cc1S(N)(=O)=O 610430037 PDIJMYINBOOUHL-UHFFFAOYSA-N 322.390 -0.076 30 20 DBED C#Cc1ccc(C(=O)N2CCN(C(=O)C(=O)OCC)CC2)cn1 736126982 LUORLRROOZLVKC-UHFFFAOYSA-N 315.329 -0.090 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)c1nccn2ccnc12 748464157 NVFLCXVONZOYMM-UHFFFAOYSA-N 303.278 -0.102 30 20 DBED NC(=O)CNC(=S)NN=Cc1n[nH]nc1-c1ccccc1 755719042 ATTZXTPDRDBOEH-UHFFFAOYSA-N 303.351 -0.245 30 20 DBED CCOC(=O)CON=C(C(=O)N1C[C@H](C)[C@@H](O)C1)c1cc[nH]n1 772523306 ZMDOXCWLXYFDQP-ONGXEEELSA-N 324.337 -0.467 30 20 DBED Cc1nn(C)c(N2CCOCC2)c1C=NNC1=NC[C@@H](C)N1 779793266 ZGHKXYLRZRQQGJ-SNVBAGLBSA-N 305.386 -0.164 30 20 DBED C#CCCS(=O)(=O)N1CCN(CC(=O)NC(C)C)CC1 808279229 YPHARYVTVIHKCE-UHFFFAOYSA-N 301.412 -0.518 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2cccc(C#N)n2)CC1 810344335 PUKSTHRPHRPEJG-UHFFFAOYSA-N 311.345 -0.540 30 20 DBED C#C[C@H](C)NC(=O)N1CCN(S(=O)(=O)NC(C)C)CC1 820400825 RRDKSRXKUOKZNQ-NSHDSACASA-N 302.400 -0.422 30 20 DBED C=CCNC(=O)CNC(=O)NCc1cccc(-c2nn[nH]n2)c1 823919434 FPYRQFRGNYKIJY-UHFFFAOYSA-N 315.337 -0.032 30 20 DBED C#CCNC(=O)COC(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1 859899455 WTOKSTZDNUWXOZ-JTQLQIEISA-N 304.306 -0.934 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N1CC[C@@H](NC(C)=O)C1 875595552 ACOCVMVNRAICIG-CHWSQXEVSA-N 309.366 -0.732 30 20 DBED CC(C)(C)C#CC(=O)N1CC(S(=O)(=O)N2CCNCC2)C1 876924395 QUMBDEGFMNAEJN-UHFFFAOYSA-N 313.423 -0.518 30 20 DBED C#C[C@H](NC(=O)C(=O)N1C[C@H]2CC[C@H]1[C@@H](O)C2)[C@@H]1CCCO1 898002957 BCKFQBFYSRDNLP-PEDHHIEDSA-N 306.362 -0.345 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N1CCO[C@@H]2COCC[C@@H]21 907748450 RLIYKVSRFNBNTH-GRYCIOLGSA-N 303.384 -0.045 30 20 DBED CN(C)S(=O)(=O)N(C)CC(=O)N[C@@H](C#N)C1CCCC1 921552554 VNRVVPGHBLXZJQ-NSHDSACASA-N 302.400 -0.077 30 20 DBED Cc1nn(C)cc1C1=NO[C@H](C(=O)N2CCN(CC#N)CC2)C1 933237584 ZAPDHKGHPKZHKS-AWEZNQCLSA-N 316.365 -0.111 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@H](NC(=O)C2CS(=O)(=O)C2)C1 938010354 MKUPAOHIGGTLNY-NSHDSACASA-N 314.407 -0.040 30 20 DBED C[C@@H](C#N)C(=O)N1CCCN(C(=O)[C@@H]2CCC(=O)NC2)CC1 941564846 KQAOSPKJHTWPLS-NWDGAFQWSA-N 306.366 -0.267 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2cnc(O)n(C)c2=O)[C@@H](C)C1 942555727 OYVWPSFLARRSPW-AAEUAGOBSA-N 318.377 -0.051 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2nnc(O)nc2O)C[C@H]1C 947502025 IHMRYBZHXTVLOA-ZJUUUORDSA-N 305.338 -0.111 30 20 DBED CN(C(=O)[C@H]1CCC(=O)N1C)C1CN(C(=O)C#CC2CC2)C1 955066431 BDUWSRZIXZKVFY-CYBMUJFWSA-N 303.362 -0.310 30 20 DBED N#CCN1C[C@H](O)[C@H](CNC(=O)c2cncc3nc[nH]c23)C1 958081477 ORESNWDVYHGRGI-SKDRFNHKSA-N 300.322 -0.496 30 20 DBED C#CCCN1C[C@@H](O)[C@H](CNC(=O)c2cc3n(n2)CCO3)C1 958135441 NOEAPBLNCQGARN-DGCLKSJQSA-N 304.350 -0.679 30 20 DBED C=CCN1C[C@H](CNC(=O)c2ccc3nncn3c2)[C@@H](O)C1 958482113 VPVCYZKTEDCCDG-STQMWFEESA-N 301.350 -0.062 30 20 DBED COCC(=O)N1CCO[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]21 959896614 QGTLVKKBMLJBOZ-QWHCGFSZSA-N 318.333 -0.415 30 20 DBED CC#CCN1C[C@H]2C(NC(=O)[C@H]3CCCS(=O)(=O)C3)[C@@H]2C1 961912589 SCZDVFWZJALWEE-YNEHKIRRSA-N 310.419 -0.119 30 20 DBED C#CCN1C[C@H]2[C@H](NC(=O)[C@H](C3CC3)N3CCOCC3)[C@H]2C1 962690336 NQSPRFNAVVTSEX-JJXSEGSLSA-N 303.406 -0.223 30 20 DBED O=C(NC[C@@H]1COCCN1C(=O)C#CC1CC1)c1ncccn1 964321988 PTPIKSMPZPBJAV-CYBMUJFWSA-N 314.345 -0.153 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H](NC(=O)CN2CCOCC2)CC1 964847589 WCGQEXIAUNNYNV-ZIAGYGMSSA-N 322.409 -0.024 30 20 DBED C=C1CCC(C(=O)N2CC3(CN(C(=O)C(N)=O)CCO3)C2)CC1 965471673 NNZJIBZKLHURTQ-UHFFFAOYSA-N 321.377 -0.342 30 20 DBED CN(CC#N)[C@H]1CCN(C(=O)CN2CCCCS2(=O)=O)C1 971953881 YDLMBSUKIMLTDT-LBPRGKRZSA-N 314.411 -0.532 30 20 DBED NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]1CCCN(C(=O)C#CC2CC2)C1 975541842 QSNMUHZGWVECQT-MCIONIFRSA-N 317.389 -0.124 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]1CN(C)C(=O)c1cn(C)c(O)n1 978316843 INZMAINKNYOWNC-NXEZZACHSA-N 305.338 -0.042 30 20 DBED CNC(=O)c1cccc(C(=O)NCC2[C@H]3CN(CC#N)C[C@H]23)n1 979009397 TUXPDWKAAXPBQY-VXGBXAGGSA-N 313.361 -0.128 30 20 DBED C[C@@H](NCc1cnnn1C)[C@H]1CN(C(=O)C#CC2CC2)CCO1 979329365 IHRUMHTXUGYRCF-IUODEOHRSA-N 317.393 -0.066 30 20 DBED CN(CC#N)[C@@H]1CCN(C(=O)CN2C(=O)NC(C)(C)C2=O)C1 980322048 IHGWXGHTTXMKEN-SNVBAGLBSA-N 307.354 -0.627 30 20 DBED CSCC(=O)N1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)[C@H](O)C1 991385060 LRFUGXVINVFIPY-CMPLNLGQSA-N 322.390 -0.059 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CCC(=O)N2)C1 992062472 MHRWJXLCSURAFM-UPJWGTAASA-N 321.377 -0.427 30 20 DBED N#CCN1CC[C@]2(NC(=O)[C@@H]3CC(=O)NC(=O)N3)CCC[C@@H]12 992254375 APDACDVKZMKAOQ-IMSIIYSGSA-N 305.338 -0.779 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC(=O)N(C2CN(C(C)=O)C2)C1 995500298 FXQQWZRUOUTFQF-YUTCNCBUSA-N 321.377 -0.475 30 20 DBED COCCn1nc(C(=O)N2CCC(NCC#N)CC2)ccc1=O 996792915 NQQZXSWEJOODGZ-UHFFFAOYSA-N 319.365 -0.393 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2nnn(C)n2)CC[C@H]1C(F)(F)F 998276006 KYMKDWDKOOUQBE-RKDXNWHRSA-N 316.287 -0.174 30 20 DBED N#CCN[C@@H]1CCCN(C(=O)c2cn([C@H]3CCOC3)nn2)C1 1000646715 BGJRMPYNCVQZIR-NEPJUHHUSA-N 304.354 -0.043 30 20 DBED O=C(NCC1CN(C(=O)C#CC2CC2)C1)c1ccnc2[nH]nnc12 1003418531 OOBZJPCKPVFUCO-UHFFFAOYSA-N 324.344 -0.046 30 20 DBED C=C(C)CN1CCC(N(C)C(=O)Cn2cnc(C(N)=O)n2)CC1 1005416191 PMOJXCUDSJLAKE-UHFFFAOYSA-N 320.397 -0.124 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2CC[C@H](NC(=O)C(N)=O)C2)cn1 1015551972 NLRJKQSENPBVIF-GWCFXTLKSA-N 314.345 -0.437 30 20 DBED N#Cc1ccc(CN2CC[C@@H](NC(=O)[C@H]3CNC(=O)N3)C2)cc1 1015634094 KYEJMYUHYDPVKJ-ZIAGYGMSSA-N 313.361 -0.070 30 20 DBED C[C@@H](C#N)C(=O)N1CCCO[C@@H](CNC(=O)c2cnccn2)C1 1019519081 ITQMNFGKVWDXCO-RYUDHWBXSA-N 317.349 -0.016 30 20 DBED O=C1CC[C@@H](C(=O)N2CC[C@H]3CN(C(=O)C#CC4CC4)C[C@H]32)N1 1022296658 RRTDKSOQEJHOBS-MELADBBJSA-N 315.373 -0.262 30 20 DBED N#CCN1CC[C@H](CNC(=O)c2ccc(S(N)(=O)=O)o2)C1 1028659508 UICZAZSABSXTEH-SECBINFHSA-N 312.351 -0.498 30 20 DBED N#Cc1c[nH]c(C(=O)NC2CN(CC(=O)N3CCCC3)C2)c1 1030192893 RMTFVQGQTWENRP-UHFFFAOYSA-N 301.350 -0.077 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)[C@@]3(F)CCOC3)C2)C1=O 1030839170 CAMJZYIFFQDSNJ-IUODEOHRSA-N 311.357 -0.298 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(CCS(C)(=O)=O)C1 1030977255 GGMSNFWHEZVROU-NEPJUHHUSA-N 302.396 -0.578 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)[C@H]3CCN(C)C3)C2)C1=O 1031382177 LGNAQWQNXMJBDM-GXTWGEPZSA-N 306.410 -0.475 30 20 DBED CC#CCN1CC[C@H](N(C)C(=O)C2CC3(C2)NC(=O)NC3=O)C1 1033499361 IPEDIGILVHRGPV-BGMSHATGSA-N 318.377 -0.469 30 20 DBED C[C@H]1CN(C(=O)CN2CC(=O)N(C)C2=O)CC[C@H]1NCC#N 1036263562 RJIBIRYQFKYEJZ-WDEREUQCSA-N 307.354 -0.769 30 20 DBED C=CCN1CC[C@H]2CN(C(=O)CN3C(=O)CN(C)C3=O)CC[C@H]21 1036888881 QWYNLVYJFBROLA-QWHCGFSZSA-N 320.393 -0.011 30 20 DBED N#Cc1cccc(CN2CC[C@@H]2CNC(=O)[C@@H]2CNC(=O)N2)c1 1038653390 WVROODAHYFQSMN-KGLIPLIRSA-N 313.361 -0.070 30 20 DBED O=C(C#CC1CC1)NC[C@@]1(O)CCN(C(=O)Cc2ncc[nH]2)C1 1039680509 HTRMTMZTSFTOKJ-INIZCTEOSA-N 316.361 -0.555 30 20 DBED C=CCCC(=O)N1CC[C@](O)(CNC(=O)[C@]2(C)CNC(=O)C2)C1 1040334865 LSAVRUQVKWCBKY-HOTGVXAUSA-N 323.393 -0.442 30 20 DBED C#CCN1CC[C@@]2(CCN(C(=O)CN3CCC(=O)NC3=O)C2)C1 1041775832 SQZLLOXLTSSJJC-MRXNPFEDSA-N 318.377 -0.514 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)c2csnn2)C1 1042043505 OXYFTEHHDYQBML-UHFFFAOYSA-N 312.351 -0.956 30 20 DBED CC#CCN1CC[C@H]2CCN(C(=O)CN3CCOCC3=O)C[C@H]21 1042098992 WAYJDEOAHJKYAV-LSDHHAIUSA-N 319.405 -0.209 30 20 DBED C#CCN1CC[C@H]2CCN(C(=O)Cn3ccc(O)nc3=O)C[C@@H]21 1042143450 UQRPPLOWLGMSLW-STQMWFEESA-N 316.361 -0.495 30 20 DBED C=CCN1CC[C@H]2CCN(C(=O)c3cn(CC(N)=O)nn3)C[C@H]21 1042367333 FVFVSQPEESLNEE-WCQYABFASA-N 318.381 -0.514 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(O)(CNC(=O)C#CC(C)C)C1 1042936246 CJBQKLYPGYZVRQ-OAHLLOKOSA-N 308.378 -0.338 30 20 DBED C[C@@H]1OCCC[C@@H]1C(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042959006 SKHXUVJPEXZPJV-JSGCOSHPSA-N 320.389 -0.096 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)C[C@H]2CCCO2)C1 1043036809 RLHFIOSKELBDIC-QWHCGFSZSA-N 324.377 -0.717 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)C[C@H](C)OC)C1 1043039860 KHJRCQISWSTSGS-NWDGAFQWSA-N 312.366 -0.861 30 20 DBED CN(C(=O)c1ccccc1OCC(N)=O)C1CN(CC#N)C1 1043273194 IZSZGOJOYQUNKL-UHFFFAOYSA-N 302.334 -0.170 30 20 DBED Cc1[nH]ccc1C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1043882701 DPDMLOHDMCFHAR-OLZOCXBDSA-N 312.333 -0.036 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)C(=O)NCC2CC2)C1 1045351984 QNCDLLMYCKRFGO-UHFFFAOYSA-N 323.393 -0.586 30 20 DBED COc1cccnc1C(=O)N1CC(O)(CNC(=O)[C@H](C)C#N)C1 1045545985 GDPOAAVGDUIBCF-SNVBAGLBSA-N 318.333 -0.447 30 20 DBED C=CCn1cc(C(=O)NC2(C)CCN(CC(=O)NC)CC2)nn1 1045580648 LAGQHQMLXHAULQ-UHFFFAOYSA-N 320.397 -0.206 30 20 DBED CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N[C@]2(C)CCN(CC#N)C2)O1 1046619672 YGHMIXPEYWAPJO-TYNCELHUSA-N 308.382 -0.274 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(O)(CNC(=O)[C@@H]2CC23CC3)C1 1047141242 QQLRURHQKPLFSR-FZMZJTMJSA-N 308.378 -0.197 30 20 DBED CC#CCN1C[C@H]2C[C@H](NC(=O)Cn3c(O)nnc3O)C[C@H]1C2 1047185870 AVRKSFALEDSAGI-SDDRHHMPSA-N 319.365 -0.318 30 20 DBED C=CCO[C@@H](C)C(=O)N(C)[C@H]1CN(C(=O)c2cnco2)C[C@@H]1O 1049010600 DDOLVEOMQXJZGA-SRVKXCTJSA-N 323.349 -0.091 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)Cc2cnc[nH]2)C[C@@H]1O 1049401921 MXLDRCIRNSASAU-DLOVCJGASA-N 305.338 -0.858 30 20 DBED C=CCOCC(=O)N[C@H](C)[C@@H]1CCN(C(=O)CNC(C)=O)C1 1049828557 MIXCQWSNPUHQME-DGCLKSJQSA-N 311.382 -0.322 30 20 DBED C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)CN1C(=O)CCC1=O 1049889748 RJPKUTGOYRTYCT-STQMWFEESA-N 303.362 -0.166 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)c1cccc(C(N)=O)c1 1050987323 RLRDSKZNAJTNQI-CQSZACIVSA-N 301.346 -0.151 30 20 DBED N#Cc1cnccc1N1CC[C@@H](NC(=O)c2cnn[nH]2)[C@H](O)C1 1051805005 BINVCEHWERNFDT-ZWNOBZJWSA-N 313.321 -0.559 30 20 DBED C#CCN1CCN([C@@H]2CCN(C(=O)CN3CCOCC3)C2)CC1 1052011325 QQKRDVTUDMDBQJ-MRXNPFEDSA-N 320.437 -0.830 30 20 DBED C#CCN1CC2(C1)CN(C(=O)Cc1cc(C)nn1C)CCO2 1053338326 FVZAPYRJOJIHPS-UHFFFAOYSA-N 302.378 -0.183 30 20 DBED N#CCN1CC2(C1)CN(C(=O)Cn1cc(Cl)cn1)CCO2 1053450683 LOXLDJLZUCSCCD-UHFFFAOYSA-N 309.757 -0.027 30 20 DBED N#CCN1CC2(C1)CN(C(=O)[C@@H]1CCc3c[nH]nc3C1)CCO2 1053537848 NPDSFKXEHIHXDW-GFCCVEGCSA-N 315.377 -0.049 30 20 DBED C#CCN1CC2(C1)CN(C(=O)c1cccnc1C(N)=O)CCO2 1053538505 CPVLQRJRNDPMOG-UHFFFAOYSA-N 314.345 -0.660 30 20 DBED N#Cc1cc(C(=O)N[C@H]2COC3(C2)CN(CCCO)C3)c[nH]1 1053779167 ORZPHEPVSWGUCF-CYBMUJFWSA-N 304.350 -0.158 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)c3cncnc3O)CO2)C1 1053839124 VYVCNYMCBFIUTK-LLVKDONJSA-N 302.334 -0.221 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)c3ccc(C(N)=O)[nH]3)CO2)C1 1053927345 ZEMYFCVWUJDWIX-VIFPVBQESA-N 303.322 -0.790 30 20 DBED C=CCN1CC2(C[C@H](NC(=O)c3ccc(=O)n(C)n3)CO2)C1 1054001237 SNXPBIJTVHRYQP-NSHDSACASA-N 304.350 -0.461 30 20 DBED C#CCCCCC(=O)NC1CCN(CCNC(=O)C(N)=O)CC1 1055629419 ZUCLBXVNCJRYHR-UHFFFAOYSA-N 322.409 -0.638 30 20 DBED C#CCCCC(=O)N[C@@]1(CO)CCCN(C(=O)CC(=O)NC)C1 1055911192 WZLIIELAVQNQOS-INIZCTEOSA-N 323.393 -0.604 30 20 DBED Cn1nncc1C(=O)N[C@H]1[C@@H]2CN(c3cncc(C#N)n3)C[C@@H]21 1056195918 WPVVBXADBKREJZ-IWIIMEHWSA-N 310.321 -0.659 30 20 DBED O=C(C#CC1CC1)NCCN(CCO)C(=O)C1CCOCC1 1056770461 JEBXXGDQPUIPKR-UHFFFAOYSA-N 308.378 -0.237 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCN(CCO)C(=O)[C@H](C)COC 1057188916 FXAQUEUHRJCFES-IUODEOHRSA-N 316.398 -0.467 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)c1cc(C)[nH]n1 1057193546 ISNHFCINAMWDDL-UHFFFAOYSA-N 310.354 -0.529 30 20 DBED C#CCNC(=O)CC(=O)N(CCO)CCNC(=O)C1=CCCC1 1057390820 REFVFIXHPLEDIS-UHFFFAOYSA-N 321.377 -0.827 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)c1cnn(C)c1 1057439673 WFXKYRSSKPRWEE-UHFFFAOYSA-N 306.366 -0.226 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)CCc1ncc[nH]1 1058653153 NUCHGUGXZNWBNE-LLVKDONJSA-N 307.354 -0.561 30 20 DBED CCc1cnc(CC(=O)NCCN(CCO)C(=O)[C@@H](C)C#N)[nH]1 1058660607 DLDLVVBJWCVXKO-NSHDSACASA-N 321.381 -0.389 30 20 DBED N#Cc1nc(=N[C@H]2C[C@@H](NC(=O)c3nccnc3N)C2)cc[nH]1 1059587202 KTAKAWFMTFQDBM-DTORHVGOSA-N 310.321 -0.485 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@@H](CCNC(=O)C(N)=O)C2)nc1 1060026875 PLEAZJUYVSIBQE-GFCCVEGCSA-N 314.345 -0.483 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1COCCN1C(=O)C1=COCCO1 1061570187 VNWXOFGCLRJQJL-CYBMUJFWSA-N 320.345 -0.368 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H]1COCCN1C(=O)c1cocn1 1061584771 MPKHSXDNEHHWSI-VXGBXAGGSA-N 321.333 -0.330 30 20 DBED C=CCC(CC=C)C(=O)N1CCOC[C@H]1CNC(=O)C(N)=O 1061840013 JEGJPQNHPLVVGR-GFCCVEGCSA-N 309.366 -0.416 30 20 DBED C=CCCO[C@@H](C)C(=O)N1CCCC[C@@H]1CNC(=O)C(N)=O 1062051785 RLLDVTSUYMPHMG-NWDGAFQWSA-N 311.382 -0.050 30 20 DBED N#Cc1nccnc1NC[C@H]1CCCN1C(=O)Cn1ncnn1 1063519037 NBEVDDSWMIKOQW-SNVBAGLBSA-N 313.325 -0.562 30 20 DBED N#Cc1cncc(N2CCO[C@H](CNC(=O)c3cocn3)C2)n1 1063620606 UZNKVQJGYBQWMF-LLVKDONJSA-N 314.305 -0.029 30 20 DBED C=CCO[C@H](C)C(=O)NC[C@@H]1CN(C(=O)c2cn[nH]c2)CCO1 1064899665 AQRWWJDRYBWHQB-DGCLKSJQSA-N 322.365 -0.042 30 20 DBED Cc1cc(C(=O)N2CCO[C@@H](CNC(=O)[C@@H](C)C#N)C2)ncn1 1065050777 ILDZDDBVADONCU-JQWIXIFHSA-N 317.349 -0.098 30 20 DBED C#Cc1ccc(C(=O)N2CCO[C@@H](CNC(=O)COC)C2)nc1 1065400065 AVBYCULCJRFWOM-ZDUSSCGKSA-N 317.345 -0.334 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CN(C(=O)Cc2cnoc2)CCO1 1065495946 BEDSRXBVKYYAGT-ZYHUDNBSSA-N 306.322 -0.280 30 20 DBED C#CCCCC(=O)N[C@@H]1CCCN(C(=O)Cn2ncnn2)CC1 1066101178 WBECRFNUQPWUND-CYBMUJFWSA-N 318.381 -0.026 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CCCN(C(=O)CCn2cnnn2)CC1 1066478516 KLLPPUAXWCXIJW-NEPJUHHUSA-N 319.369 -0.280 30 20 DBED N#Cc1cccnc1N1C[C@@H](O)[C@H](CNC(=O)c2ccncn2)C1 1067675859 IQHIXTMHAYKZPT-TZMCWYRMSA-N 324.344 -0.030 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@H]1CN2c1ccc2nnnn2n1 1068032876 FGGMWXLUTAKEIS-AXFHLTTASA-N 312.337 -0.141 30 20 DBED CCNC(=O)CC(=O)N1CCOC2(C1)CN(C(=O)[C@H](C)C#N)C2 1068384227 OJVLLNVKDSSKDS-LLVKDONJSA-N 322.365 -0.888 30 20 DBED C=CCCC(=O)N[C@H]1COC2(C1)CN(C(=O)c1nnn(C)n1)C2 1068751570 QSORLOWOGYISOC-SNVBAGLBSA-N 320.353 -0.724 30 20 DBED CN(C(=O)[C@H]1COC(=O)N1)C1CC(Nc2cncc(C#N)n2)C1 1069736159 YRNJINYALNIVKG-BOBPJJCASA-N 316.321 -0.142 30 20 DBED C#CCN1CCn2ncc(CNC(=O)c3ccc(O)nn3)c2C1 1069852540 VWWLBVRUMFHNJL-UHFFFAOYSA-N 312.333 -0.243 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2[nH]c(O)nc2C)C1 1069953665 QWIJVIPUWWLINP-MNOVXSKESA-N 317.353 -0.143 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2csc(O)n2)C1 1070003678 ZGEFFNLAXXWCJI-KOLCDFICSA-N 318.362 -0.271 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)[C@@H]4CCCNC4=O)C[C@@]3(C1)O2 1070812164 ZBWAOCMBFNOCDH-ZOMKSWQUSA-N 317.389 -0.553 30 20 DBED C#CCCN1CCNC(=O)CCN(C(=O)c2cnon2)CC1 1071010212 AWRKRPZBHKCNGM-UHFFFAOYSA-N 305.338 -0.643 30 20 DBED Cc1nn[nH]c1C(=O)N1C[C@@H](C)O[C@]2(CCN(CC#N)C2)C1 1071196885 JWSCDPKKZHDJFA-YGRLFVJLSA-N 304.354 -0.058 30 20 DBED C=CCN1CC[C@]2(C1)CN(C(=O)CCn1cnnn1)C[C@@H](C)O2 1071222811 HGZCMYUMUYHIDT-HIFRSBDPSA-N 320.397 -0.059 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CCCN(C(=O)Cn2cncn2)C1 1071372708 UOMRYCMWNRMAFW-CHWSQXEVSA-N 321.381 -0.024 30 20 DBED C[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@@H]1NC(=O)C#CC1CC1 1072165483 OPQNBZFNLKQPSK-MFKMUULPSA-N 324.402 -0.593 30 20 DBED C[C@H](C#N)C(=O)NC1(C)CCN(C(=O)[C@H]2COC(=O)N2)CC1 1072993561 JPUOGSSORSXMHD-NXEZZACHSA-N 308.338 -0.248 30 20 DBED C=CCCC(=O)N[C@H]1CCN(C(=O)Cn2ncnn2)C[C@H]1C 1073808770 LDJWDFPGGQOJNS-NEPJUHHUSA-N 306.370 -0.008 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC(O)(CNC(=O)C2CC2)CC1 1074588695 PSCKDQIPURRWKA-GFCCVEGCSA-N 308.378 -0.096 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)C(C)(F)F 1076220050 NNQIOOWOWYNOGA-VIFPVBQESA-N 303.309 -0.208 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC[C@H](C)NC(=O)CS(C)(=O)=O 1076300984 ZUTVNZRGBCHDAS-GXFFZTMASA-N 320.411 -0.631 30 20 DBED C[C@@H](C(=O)N(C)C)N1C[C@@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 1076855583 CSRKEDOVDKPNHV-ZWKOPEQDSA-N 319.365 -0.862 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)c2ccc(CNC(C)=O)o2)C1 1077848924 YBSCFEYWQNMNQL-ZIAGYGMSSA-N 319.361 -0.286 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2cccc(-n3cnnn3)c2)C1 1078162596 XMENNSTWGOOANR-ZIAGYGMSSA-N 312.333 -0.930 30 20 DBED C#CCN[C@H]1C[C@H]2CC[C@H]1N(C(=O)CN1CCOCC1=O)C2 1078969192 MBVOVDNOQRRKNT-HZSPNIEDSA-N 305.378 -0.553 30 20 DBED C#CCNC(=O)CC(=O)N(CC)C1CN(C(=O)CC(C)(C)O)C1 1079644711 PQXVWCYLKDHOMH-UHFFFAOYSA-N 323.393 -0.654 30 20 DBED C#CCCN1C[C@@H](NC(=O)[C@H]2CCN(C)S2(=O)=O)[C@H](C)C1 1080596965 IDKCGBXWZGYENQ-JHJVBQTASA-N 313.423 -0.520 30 20 DBED C=C[C@@H](C)[C@@H](C)C(=O)N1CCC(CO)(NC(=O)C(N)=O)CC1 1080978497 GFMKIYPNMCTBLT-GHMZBOCLSA-N 311.382 -0.600 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)c2cnccn2)C[C@H]1O 1081333238 QDTMODKABLXIDY-DGCLKSJQSA-N 304.350 -0.008 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)CCn2cncn2)C[C@H]1O 1081333839 YHOPIKKZTRDGLK-QWHCGFSZSA-N 321.381 -0.430 30 20 DBED C=CCCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2nnn(C)n2)C1 1081655660 HUYZDFQYIRRYOX-GHMZBOCLSA-N 322.369 -0.885 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1cnc2n1CCOC2 1081815941 LXCHVYSTZKPLOZ-ZYHUDNBSSA-N 305.338 -0.634 30 20 DBED C=C(C)CCN1C[C@@H](NC(=O)CN2CC(=O)NC2=O)[C@H](OC)C1 1082244677 CNYWGNJRBXXNFZ-VXGBXAGGSA-N 324.381 -0.680 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)C(=O)N1CCC[C@@H](C)C1 1083216098 IIZVWQOLPXOKAE-QLFBSQMISA-N 319.405 -0.210 30 20 DBED CCCCN1CCOC[C@H]1C(=O)N[C@@H]1CN(CC#N)C[C@@H]1O 1083670976 VKESRFVNFXCYFL-RDBSUJKOSA-N 310.398 -0.828 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)c2ccnc(NC(C)=O)c2)C1 1083875469 QZHQHILHMLLMOJ-KGLIPLIRSA-N 316.361 -0.162 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2Cc3cccc(F)c3O2)C1 1084073580 ZETCKYRVLAUJQV-RDBSUJKOSA-N 304.321 -0.076 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2ccc3c(C)nn(C)c3n2)C1 1084092508 CFICFCOYJSFMKU-KGLIPLIRSA-N 313.361 -0.315 30 20 DBED CN1CC[C@H](C(=O)N2C[C@H]3CCN(CC#N)C[C@H]32)S1(=O)=O 1084715112 OWDVUCAZGYAJAX-IJLUTSLNSA-N 312.395 -0.923 30 20 DBED CC#CCN1CC[C@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)[C@H]1CC 1087832995 HHCIRCDFDDVFBA-RWMBFGLXSA-N 313.423 -0.330 30 20 DBED C[C@@H]1[C@@H](NC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)CCN1CC#N 1088855487 MPILEQUAOBIUDC-XQHKEYJVSA-N 308.382 -0.275 30 20 DBED C=CCN1CC[C@H](NC(=O)C2CC3(C2)NC(=O)NC3=O)[C@H]1C 1088915297 UMPYBKPTUTUPIN-VQEBWTGLSA-N 306.366 -0.260 30 20 DBED C#CCN1CC[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)CC(C)(C)C1 1089408775 LFTDVMIKJKQWGA-RYUDHWBXSA-N 320.393 -0.176 30 20 DBED CC1(C)C[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)CCN(CC#N)C1 1089408901 MQARLBHQDOVSRU-MNOVXSKESA-N 321.381 -0.285 30 20 DBED CN(C)C(=O)CN1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@H](O)C1 1090199307 HFKBXLNHENIDQT-DGCLKSJQSA-N 319.365 -0.860 30 20 DBED N#CCN1CC[C@H](NC(=O)Cc2cn3ccccc3n2)[C@@H](O)C1 1090359664 DBCAPNWLXKUMRK-KBPBESRZSA-N 313.361 -0.048 30 20 DBED CO[C@H](C)C(=O)N[C@@H]1CN(c2nc(C)ccc2C#N)C[C@H]1O 1090377798 MCFIHDXMCLXIFL-RAIGVLPGSA-N 304.350 -0.038 30 20 DBED C[C@H](NC(N)=O)C(=O)NC[C@H]1C[C@H](Nc2cncc(C#N)n2)C1 1091454052 AIDDUYHOEYJDLH-GUBZILKMSA-N 317.353 -0.288 30 20 DBED CC(C)OCC(=O)N[C@@H]1CCN(c2cnc(C#N)cn2)C[C@@H]1O 1092140504 OXBZBZWLTWXIBL-OLZOCXBDSA-N 319.365 -0.171 30 20 DBED CC(=O)N1CCO[C@H](C(=O)NCCNc2cncc(C#N)n2)C1 1093799041 JJPSQHIUBVWIGY-LBPRGKRZSA-N 318.337 -0.876 30 20 DBED C#CCO[C@@H](C)C(=O)NCCNc1ncnc2c1cnn2C 1093878204 HTITXQRGPLNHKV-JTQLQIEISA-N 302.338 -0.070 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)c3cc(C)no3)CC2=O)C1 1094700210 CNQZOHNQTIKPLJ-LLVKDONJSA-N 302.334 -0.369 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)c3c(C)noc3C)CC2=O)C1 1094703811 OSGSMTIDUBDKMA-LBPRGKRZSA-N 316.361 -0.060 30 20 DBED Cn1cc(C(=O)NCCCN=c2cc[nH]c(C#N)n2)ncc1=O 1094903683 ZWICCKJEKCRRHI-UHFFFAOYSA-N 313.321 -0.904 30 20 DBED N#Cc1cnccc1N1CCC[C@H](CNC(=O)CNC(N)=O)C1 1097286663 OPOWTASCJSRUBS-LLVKDONJSA-N 316.365 -0.046 30 20 DBED C[C@H](CNC(=O)CCn1cncn1)Nc1ccc(C#N)nn1 1097655085 FGTDIDWNGROGIR-SNVBAGLBSA-N 300.326 -0.053 30 20 DBED C[C@H](CNC(=O)C[C@@H]1CC(=O)NC1=O)Nc1cncc(C#N)n1 1097945963 ZRYUGQRZPBYWII-RKDXNWHRSA-N 316.321 -0.682 30 20 DBED C#CCN(CCO)C1CCN(C(=O)Cn2ccccc2=O)CC1 1098558631 OVJWNYIYBHWEGA-UHFFFAOYSA-N 317.389 -0.233 30 20 DBED C=C(C)CCNCc1cn([C@@H]2CCN(C(=O)CC(N)=O)C2)nn1 1098640186 GACBSXGITSTUFY-CYBMUJFWSA-N 320.397 -0.017 30 20 DBED CC(=O)NCC(=O)N1CCC[C@H](N(C)c2ccnc(C#N)n2)C1 1098667718 LSDXZAJWFODCHC-LBPRGKRZSA-N 316.365 -0.088 30 20 DBED C[C@@H](CCNC(=O)C1CS(=O)(=O)C1)Nc1nccnc1C#N 1099522287 RNGYGQYQGUXNIU-VIFPVBQESA-N 323.378 -0.300 30 20 DBED CCNC(=O)CN1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@H](O)C1 1099783897 YADRUXCZHUQSIE-CHWSQXEVSA-N 319.365 -0.813 30 20 DBED Cc1noc(CN2CC[C@H](NC(=O)C#CC3CC3)[C@@H](O)C2)n1 1099812185 CBRCMOXIKLNHAW-STQMWFEESA-N 304.350 -0.157 30 20 DBED Cn1cc(CN2CC[C@@H](NC(=O)C#CC3CC3)[C@H](O)C2)cn1 1099823954 MPLXDEPBXXFNBP-HUUCEWRRSA-N 302.378 -0.115 30 20 DBED C=CCN1CC[C@H](NC(=O)C(C)(C)NS(C)(=O)=O)[C@@H](O)C1 1100026687 GIFYGKNGCOUOTR-QWRGUYRKSA-N 319.427 -0.948 30 20 DBED C=C(C)CCN1CC[C@H](NC(=O)CS(=O)(=O)CC)[C@H](O)C1 1100129150 INGHPEODPPVQHG-QWHCGFSZSA-N 318.439 -0.061 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)Cc2cccnc2)C1 1100250074 JWNGXWBFQDVTHT-UHFFFAOYSA-N 314.389 -0.142 30 20 DBED COCC#CCN1C[C@@H]2CN(C(=O)CNC(C)=O)C[C@]2(C)C1 1101110818 HGSFPUBLAACZOU-ZBFHGGJFSA-N 307.394 -0.447 30 20 DBED CN(CCNc1nccnc1C#N)C(=O)CN1C(=O)CCC1=O 1101609561 JDZAOQYJHGBXGE-UHFFFAOYSA-N 316.321 -0.632 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)c1ccc2nnnn2c1 1101856161 HTXQFTQISHYTOY-UHFFFAOYSA-N 323.320 -0.608 30 20 DBED C=CCOCCN1C[C@@H](C)[C@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 1102292222 DRTBOEYCSIBLLU-UPJWGTAASA-N 310.398 -0.446 30 20 DBED C#CCN1C[C@@H](C)[C@H](CNC(=O)CN2C(=O)NC(=O)C2(C)C)C1 1102496010 YULKBBFJEQTVIT-VXGBXAGGSA-N 320.393 -0.366 30 20 DBED C[C@H](CNC(=O)[C@H]1CCNC1=O)CNc1ccc(C#N)nn1 1104157292 JEZFVRPGUNDEKY-ONGXEEELSA-N 302.338 -0.351 30 20 DBED C[C@@H]1OCCO[C@@H]1C(=O)N(C)[C@H](C)CN=c1cc[nH]c(C#N)n1 1104864526 KNSPYWRRVDHQEG-SUNKGSAMSA-N 319.365 -0.167 30 20 DBED C[C@H]1CN(C(=O)CNC(N)=O)CC[C@@H]1Nc1ccc(C#N)nn1 1105030699 XQBLOHAGMLOAIH-ONGXEEELSA-N 317.353 -0.335 30 20 DBED C[C@@H](C(=O)N1CC(n2cc(CNCC#N)nn2)C1)n1cccn1 1105169789 NFEOFZSVAUPRBZ-NSHDSACASA-N 314.353 -0.268 30 20 DBED CN1CC[C@H](CC(=O)N2CC(n3cc(CNCC#N)nn3)C2)C1 1105361415 ZQTTXKPDZFUCCH-GFCCVEGCSA-N 317.397 -0.384 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](O)CNC(=O)[C@H]2CCCO2)n1 1105737612 IHMSUBPWPMDROG-NWDGAFQWSA-N 305.338 -0.275 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)Cc2ccon2)nn1 1105764125 XFQYGYAKWLHJME-NSHDSACASA-N 302.294 -0.532 30 20 DBED CCO[C@H](C)C(=O)NC[C@H](O)CN=c1cc(C)[nH]cc1C#N 1105770101 VEEWWTXQGWTMNK-DGCLKSJQSA-N 306.366 -0.002 30 20 DBED C[C@H](C(=O)NC[C@@H](O)CNc1cnc(C#N)cn1)n1cncn1 1105828208 ARLGSCODMAQELK-KOLCDFICSA-N 316.325 -0.910 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)C[C@@H]2CCC(=O)N2)nc1 1105894483 POFKSKNHXGBWOZ-NWDGAFQWSA-N 317.349 -0.489 30 20 DBED Cc1cnn(C)c1C(=O)NC[C@H](O)CNc1cnc(C#N)cn1 1106060256 QVDNTSDFTNMYPN-LLVKDONJSA-N 315.337 -0.407 30 20 DBED COC[C@H](OC)C(=O)NC[C@H](O)CNc1ncccc1C#N 1106088173 ZXQYRYZXZRSYCZ-NEPJUHHUSA-N 308.338 -0.496 30 20 DBED C[C@@H]1CN(C(=O)[C@@]23COC[C@@H]2C3)C[C@H]1CNCC(=O)NCC#N 1106152302 NLMHSPUBBLGWSC-FOCJUVANSA-N 320.393 -0.653 30 20 DBED CNC(=O)NCCC(=O)N[C@@H](C)CCNc1nccnc1C#N 1106316945 MGTVLOVUDDKFSP-JTQLQIEISA-N 319.369 -0.026 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)c2cnco2)C[C@H]1C 1106494433 UTSKJSJKRJSBRT-VXGBXAGGSA-N 304.350 -0.278 30 20 DBED C[C@@H]1OCCO[C@@H]1C(=O)NC/C=C/CN=c1cc[nH]c(C#N)n1 1107573555 QNDUCSHPNDUGAC-OAWOSGDHSA-N 317.349 -0.342 30 20 DBED N#Cc1c[nH]ccc1=NC/C=C\CNC(=O)[C@@H]1CCC(=O)NC1 1107592278 BEKBEIKBCGBUHN-UDSFMNFJSA-N 313.361 -0.014 30 20 DBED C[C@H](CN=c1cc[nH]cc1C#N)NC(=O)[C@H]1CCS(=O)(=O)C1 1108001186 TVRXCAKOIWYREI-MNOVXSKESA-N 322.390 -0.274 30 20 DBED Cc1cc(=NC[C@@H](C)NC(=O)[C@H]2C[C@H]2C(N)=O)c(C#N)c[nH]1 1108110994 AYQFDBOLLYBHGV-JLLWLGSASA-N 301.350 -0.278 30 20 DBED Cc1nc(CC(=O)N[C@H](C)CN(C)c2nccnc2C#N)n[nH]1 1108954877 FLIMIBCRSXKENH-SECBINFHSA-N 314.353 -0.042 30 20 DBED C[C@H](CN(C)c1ncccc1C#N)NC(=O)[C@@H]1CNC(=O)N1 1109210943 LZIGROOJEGMPES-KOLCDFICSA-N 302.338 -0.424 30 20 DBED CC[C@H](NC(C)=O)C(=O)N(C)CCCN=c1cc[nH]c(C#N)n1 1109635190 QCRZFVQGVFSBNI-LBPRGKRZSA-N 318.381 -0.055 30 20 DBED CCNC(=O)CC(=O)N[C@@H]1[C@H]2C[C@H]1N(c1ccc(C#N)nn1)C2 1109703958 HTIAFXOLCRICSO-ZVWUFJHRSA-N 314.349 -0.432 30 20 DBED N#Cc1cnc(NC[C@H](NC(=O)[C@H]2COC(=O)N2)C2CC2)cn1 1109832202 BBFMGCBKCBRXFG-WDEREUQCSA-N 316.321 -0.237 30 20 DBED N#Cc1nccc(NC2(CNC(=O)[C@H]3CCCNC3=O)CC2)n1 1110257154 CQZGJBFEQHJFCM-JTQLQIEISA-N 314.349 -0.065 30 20 DBED C[C@]1(NC(=O)Cn2nccn2)CCN(c2cncc(C#N)n2)C1 1110789752 IKTGMPYHJNXTTK-AWEZNQCLSA-N 312.337 -0.275 30 20 DBED C#CCNC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cnon1 1111170448 OJXPUFCCZNTKNZ-UZWSLXQKSA-N 317.349 -0.457 30 20 DBED COc1ccnc(N2C[C@H](O)[C@@H](N(C)C(=O)C#CC3CC3)C2)n1 1111183508 IMERMHULTWAUAS-STQMWFEESA-N 316.361 -0.094 30 20 DBED C[C@H](C#N)C(=O)N[C@@]1(CO)CCCN(c2ccnc(C#N)n2)C1 1111343142 NLEPTJBSOJXIGY-ABAIWWIYSA-N 314.349 -0.045 30 20 DBED C[C@@H]1CN(c2ccncc2C#N)CC[C@H]1NC(=O)CNC(N)=O 1112392473 HGWIJJPZXRLERM-ZYHUDNBSSA-N 316.365 -0.047 30 20 DBED N#Cc1cnc(NCC2CC(NC(=O)C3(C(N)=O)CC3)C2)cn1 1112868930 FFWRXBDFXJCCIU-UHFFFAOYSA-N 314.349 -0.080 30 20 DBED COCC#CCN1CCN(C(=O)[C@@H](C)CS(C)(=O)=O)CC1 1113693283 CRGXZJJICYCXOV-ZDUSSCGKSA-N 316.423 -0.539 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3ccc(C)o3)[C@H]2C1 1113809187 CXEOIHQTQARRJE-JYAVWHMHSA-N 301.346 -0.003 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)c3cnn(C)c3)[C@@H]2C1 1113842622 WQBFWNMDURNLLG-CYZMBNFOSA-N 317.393 -0.229 30 20 DBED CCOCCCC(=O)NC1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]12 1113924972 LDSPBCXMPAGQOH-VXGBXAGGSA-N 308.382 -0.511 30 20 DBED COCC#CCN1C[C@@H]2C(NC(=O)CNC(=O)C3CC3)[C@H]2C1 1113937550 HUVSOOJFCJSHIP-STQMWFEESA-N 305.378 -0.791 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H]1[C@@H]2CN(CCN3CCNC3=O)C[C@@H]21 1114270867 LZTWGLHDPJMNRD-IGQOVBAYSA-N 320.393 -0.904 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)c3cnn(C)n3)[C@H]2C1 1114973503 XRXRUDZXHAPVPG-MEWQQHAOSA-N 318.381 -0.834 30 20 DBED N#CCN1C[C@H]2[C@H](NC(=O)CCNC(=O)c3ccco3)[C@H]2C1 1115212389 AYIXMPFVECWCIJ-YABSGUDNSA-N 302.334 -0.031 30 20 DBED C=C[C@H](COC)NC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 1116617865 YMNQYANNTYHHIB-LLVKDONJSA-N 324.381 -0.680 30 20 DBED Cc1nnc([C@H](C)NC(=O)C(=O)N2CC[C@](O)(CC#N)C2)s1 1118157645 IBWYZSPVZMKETB-ISVAXAHUSA-N 323.378 -0.099 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N[C@H]1CCN(C(C)(C)C)C1=O 1118158383 OKDJQCVGLCKJIL-QWRGUYRKSA-N 311.382 -0.181 30 20 DBED CCNC(=O)CCC(=O)NC[C@H](CO)Nc1ccc(C#N)nn1 1121205074 LBYKWEZNRCNQNA-LLVKDONJSA-N 320.353 -0.846 30 20 DBED Cn1oc(C(=O)NC[C@@H](CO)Nc2ccc(C#N)nc2)cc1=O 1121365245 KQDIRSSFJITKBG-NSHDSACASA-N 317.305 -0.552 30 20 DBED CCn1ccnc1C(=O)NC[C@@H](CO)Nc1cncc(C#N)n1 1121411985 IHGGUZBOIROWTF-NSHDSACASA-N 315.337 -0.233 30 20 DBED Cc1[nH]nc(C(=O)NC[C@@H](CO)Nc2cnc(C#N)cn2)c1O 1121453298 BBXHCKTVXSQCGQ-VIFPVBQESA-N 317.309 -0.712 30 20 DBED Cn1cncc1CC(=O)NC[C@H](CO)Nc1cncc(C#N)n1 1121801984 YIUSSEKHRDAEJA-LLVKDONJSA-N 315.337 -0.787 30 20 DBED Cc1cc(C#N)nc(N[C@@H](CO)CNC(=O)c2cccnn2)n1 1121944649 XAEQSMPPDTWUIS-LLVKDONJSA-N 313.321 -0.351 30 20 DBED N#Cc1ccc(C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)[nH]1 1122413432 ONFLZWYHYREMHV-SNVBAGLBSA-N 320.330 -0.534 30 20 DBED CNC(=O)CC(=O)N1CC[C@@H](Nc2cnc(C#N)cn2)[C@@H]1C 1122971109 LQHRTCNUQYBZLN-GXSJLCMTSA-N 302.338 -0.114 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)c1ccc(C)nc1 1123623785 VNUWLTMGWLYVHU-UHFFFAOYSA-N 319.365 -0.279 30 20 DBED Cc1ocnc1C(=O)N(C)C[C@H](O)CN=c1cc[nH]c(C#N)n1 1124135958 VJHJRZQUPGTFCI-SNVBAGLBSA-N 316.321 -0.388 30 20 DBED CN(C[C@H](O)CNc1nccnc1C#N)C(=O)c1ccncn1 1124466495 SACTXBVXUKRDLH-SNVBAGLBSA-N 313.321 -0.317 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@H](C)Cn1ccc(C)n1 1128208446 BQJNJDMGDMJPJL-GFCCVEGCSA-N 307.398 -0.164 30 20 DBED C#CCCCC(=O)NCc1cnn2c1CN([C@@H](C)C(N)=O)CC2 1128327785 ULGGRJUZIJZGEX-LBPRGKRZSA-N 317.393 -0.008 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1cncc(COC)c1 1129759118 ADZSVHIQIWDUEM-GFCCVEGCSA-N 318.377 -0.315 30 20 DBED CO[C@@H](C)C(=O)NCc1nc([C@H]2CC[C@@H](CNCC#N)O2)n[nH]1 1130765384 PUENTIOVKSEVGQ-GARJFASQSA-N 322.369 -0.211 30 20 DBED Cc1c[nH]nc1C(=O)N[C@H](C)C[C@@H](C)NCC(=O)NCC#N 1134307517 MMSDGEDSUMDHMH-GHMZBOCLSA-N 306.370 -0.156 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)CCc1ncccn1 1135559083 CXMRVLASVKJZMI-GFCCVEGCSA-N 305.382 -0.194 30 20 DBED C[C@@H](C[C@@H](C)NCC#N)NC(=O)CNC(=O)C1CCOCC1 1135701514 LPOMXZNPGCWGPD-NEPJUHHUSA-N 310.398 -0.074 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)CN1CCCC1 1146341400 XPESJDWAIUOIJK-UONOGXRCSA-N 308.426 -0.296 30 20 DBED Cc1conc1C(=O)N1CC2(CCN(CC(=O)NCC#N)C2)C1 1148548118 NBUAPOMTYBMYPG-UHFFFAOYSA-N 317.349 -0.229 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)c1nonc1C)C2 1148905792 NARBXUULUDJJBE-UHFFFAOYSA-N 317.349 -0.725 30 20 DBED C=CCCN1CCCO[C@H](CNC(=O)Cn2cnnc2O)C1 1149565190 BWFKLYGJRGJXGE-GFCCVEGCSA-N 309.370 -0.233 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CN(CC)CCO1 1151756383 LBDVIZHDQHRLIA-OLZOCXBDSA-N 312.414 -0.896 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H](C)N(CC)CC(=O)N(C)CC 1152883104 PMOFUKRESHPDIR-CYBMUJFWSA-N 324.425 -0.569 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)C12CCN(CC1)C2 1156409505 OSYMXPFQYYZWMA-CQSZACIVSA-N 320.437 -0.342 30 20 DBED CN(CC#N)C[C@H]1CCCCN1C(=O)C[C@@H]1NC(=O)NC1=O 1158076963 HYMXZLPDKALOGJ-MNOVXSKESA-N 307.354 -0.579 30 20 DBED C#CCN(C)C[C@H]1CCCCN1C(=O)c1nnc(O)nc1O 1158186121 NWQWEEHEMCWTDA-SNVBAGLBSA-N 305.338 -0.158 30 20 DBED C#CCNC(=O)CNCC1(CCNC(=O)[C@@H](C)CC(N)=O)CC1 1166552220 JXOGKFWNSSQSLL-LBPRGKRZSA-N 322.409 -0.877 30 20 DBED CC(=O)N[C@H](CCC(N)=O)C(=O)NCCC1(CNCC#N)CC1 1167466285 KRYBJBBHKRLOFZ-GFCCVEGCSA-N 323.397 -0.844 30 20 DBED C[C@H](CCCCNCC(=O)NCC#N)NC(=O)C1(C(N)=O)CC1 1174996533 GMFKVHHPVDUVOC-LLVKDONJSA-N 323.397 -0.844 30 20 DBED C=CCNC(=O)CNCCCNC(=O)C1CCN(C(C)=O)CC1 1175689341 WWAKUSCKBVUXNS-UHFFFAOYSA-N 324.425 -0.357 30 20 DBED C=CCNC(=O)CNCCCNC(=O)CS(=O)(=O)C(C)C 1176361461 CXQDPIIVTHYQMR-UHFFFAOYSA-N 319.427 -0.792 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)CCOCCOC 1177301138 SBCVJBNARPYJDX-ZDUSSCGKSA-N 313.398 -0.727 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)[C@@H](C)c1cnn(C)c1 1177678072 FGWXAQPCDYKQFH-QWHCGFSZSA-N 319.409 -0.243 30 20 DBED COCC#CCN[C@H]1CCN(C(=O)CCn2cnnn2)[C@H]1C 1179779268 HNLSAQBXAKMMBP-STQMWFEESA-N 306.370 -0.708 30 20 DBED COC[C@@H](C)C(=O)N1C[C@@H](C)[C@](C)(CNCC(=O)NCC#N)C1 1180869373 RDFZGKXKHOIJCH-XJKCOSOUSA-N 324.425 -0.017 30 20 DBED C=CCOCCNC[C@@H]1CCN(C(=O)Cn2cnnn2)C[C@@H]1C 1183851555 XWEUJUPOMKWCNL-KBPBESRZSA-N 322.413 -0.050 30 20 DBED C[C@H]1CN(C(=O)c2ccc(=O)n(C)n2)CC[C@H]1CNCC#N 1185642942 VWFCFQLQSPQYCN-RYUDHWBXSA-N 303.366 -0.008 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H]2CCN(C(=O)c3ncc[nH]3)[C@@H]2C1 1187804548 NAWQSJQSUKTYNC-FRRDWIJNSA-N 315.377 -0.306 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@H]2CN(Cc3cnn(C)n3)C[C@H]21 1187881843 FHSYOMQBCIUZBH-VNHYZAJKSA-N 317.393 -0.114 30 20 DBED CC(C)OCCC(=O)N1CC[C@H](N(C)CC(=O)NCC#N)C1 1188982548 KVCQLGPAFKTOFE-ZDUSSCGKSA-N 310.398 -0.026 30 20 DBED Cc1ccnc(C(=O)N2CC[C@@H](N(C)CC(=O)NCC#N)C2)n1 1189894332 VSODBNSDXDMCGU-GFCCVEGCSA-N 316.365 -0.429 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@@H](N(C)CC(=O)NCC)C1 1190721385 BOEVADAAJQYEBP-CABCVRRESA-N 320.437 -0.247 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)C2=COCCC2)C1 1191698673 ZERASNTVRBINDZ-IACUBPJLSA-N 323.393 -0.467 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@H]1CCN(C(=O)c2n[nH]cc2F)C1 1192218902 YDAZRKDJRNKXNY-MNOVXSKESA-N 321.356 -0.167 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2ccn(C)n2)C[C@H]1O 1192892237 VTGJWSLGUDBDEZ-MRVWCRGKSA-N 306.366 -0.880 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)CC(F)F)C1 1194788664 IONWKVHSQALGPU-HBNTYKKESA-N 319.352 -0.259 30 20 DBED C#CCNC(=O)[C@H](C)N1CCCN(C(=O)[C@@H]2CCOC2)CC1 1195088914 GMFMNXNICAVCLY-UONOGXRCSA-N 307.394 -0.305 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)CCc2nc(C)no2)C1 1195158251 UICBRMRUROBEIZ-CHWSQXEVSA-N 322.365 -0.878 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)C(C)(C)C(N)=O)CC1 1196208088 COAVTGDUCLQJDV-UHFFFAOYSA-N 310.398 -0.666 30 20 DBED C#CCCN1CCCN(C(=O)CS(=O)(=O)N(C)C)CC1 1198002991 YEDRLCGMOGPCEJ-UHFFFAOYSA-N 301.412 -0.565 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)Cn2cccn2)CCCO1 1199847099 PGEBOPURCSJEGB-OAHLLOKOSA-N 320.393 -0.260 30 20 DBED COCC1(C(=O)N2CCC(NCC(=O)NCC#N)CC2)CC1 1201624719 CLCXBACPMBDTRR-UHFFFAOYSA-N 308.382 -0.367 30 20 DBED C#CCN[C@@H]1C[C@@H](NC(=O)COCc2nncn2C)C12CCC2 1203558199 XSUHXTGCZICCIP-CHWSQXEVSA-N 317.393 -0.018 30 20 DBED CCNC(=O)CC(=O)N1CCC(CNCC#CCOC)CC1 1205056231 GHZUADXAFHIMRO-UHFFFAOYSA-N 309.410 -0.009 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)c2cn[nH]c2)[C@H](C)C1 1206205222 PRCREVGJQGTNDF-NTZNESFSSA-N 303.366 -0.402 30 20 DBED COCC#CCN1C[C@@H](NC(=O)c2cc(=O)n(C)o2)[C@H](C)C1 1206903159 RDXXKZGOSRACEE-VXGBXAGGSA-N 307.350 -0.322 30 20 DBED C#CCCN[C@H]1CCCN(C(=O)[C@H](C)NS(=O)(=O)CC)C1 1208108899 DEXMNGUQPWMTEG-STQMWFEESA-N 315.439 -0.082 30 20 DBED COCC#CCN1C[C@@H](NC(=O)CCc2cnn[nH]2)[C@H](C)C1 1208763539 MNAIFGLPLJGKJY-TZMCWYRMSA-N 305.382 -0.176 30 20 DBED C=CCn1cc(C(=O)N2CCC[C@@H](N[C@H](C)C(=O)NC)C2)nn1 1210010020 KYMIUCDVHQJZIP-VXGBXAGGSA-N 320.397 -0.207 30 20 DBED C=CCCCN1C[C@@H](NC(=O)[C@@H]2CN(C)C(=O)N2)[C@H](OC)C1 1213266651 CVDXSNWPQFMJFH-FRRDWIJNSA-N 310.398 -0.208 30 20 DBED CC#CCCCC(=O)N[C@@H]1CN([C@@H]2CCC(=O)NC2=O)C[C@@H]1O 1220184805 RUZVCSSTMPFIKW-UPJWGTAASA-N 321.377 -0.854 30 20 DBED C#CCNC(=O)CC(=O)NCC1CCN(C[C@@H]2CCOC2)CC1 1222920212 HTENIONJDJLDCK-HNNXBMFYSA-N 321.421 -0.009 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)CC(=O)NCC)CC1 1222921240 RFKZVVXAZXUDSP-UHFFFAOYSA-N 322.409 -0.910 30 20 DBED C=CCOCCN1CCS(=O)(=O)[C@H](CCNC(C)=O)C1 1230403634 CFXYAFXEPKZLHD-CYBMUJFWSA-N 304.412 -0.186 30 20 DBED C#CCCN1CCS(=O)(=O)[C@H](CCNC(=O)C(F)F)C1 1230406792 UIUVODGNFOMBRT-SNVBAGLBSA-N 308.350 -0.120 30 20 DBED C#CCN1CCS(=O)(=O)[C@H](CCNC(=O)CC(C)(C)O)C1 1230455159 NVDKBVZJMKHFHS-GFCCVEGCSA-N 316.423 -0.614 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)[C@@H](C)n1cncn1 1233750847 IYALTUCOXCBCKX-OLZOCXBDSA-N 318.381 -0.879 30 20 DBED CN(C[C@@H]1CCN1CC(=O)NCC#N)C(=O)Cc1ccnn1C 1233965796 FKYMAEMIRWJTNV-ZDUSSCGKSA-N 318.381 -0.865 30 20 DBED C=CCN(CCOC)C(=O)C(=O)NCc1nnnn1CC1CC1 1261187332 CNBMMTLRIUPXOV-UHFFFAOYSA-N 322.369 -0.640 30 20 DBED C[C@@]1(c2nccs2)NC(=O)N(CC(=O)NCCC#N)C1=O 1261598713 HJGYTTOTJIFAIP-LBPRGKRZSA-N 307.335 -0.060 30 20 DBED Cc1cc(NC(=O)C(=O)N2CCO[C@H](C#N)C2)c(=O)n(C)c1 1319206402 ACZKNBCEAAEDQJ-SNVBAGLBSA-N 304.306 -0.617 30 20 DBED O=C(COC(=O)C#Cc1ccccc1)N[C@H]1CCS(=O)(=O)C1 1319781957 LOHUKUKRPGBSPO-ZDUSSCGKSA-N 321.354 -0.115 30 20 DBED COCC[C@@H](NC(=O)C(=O)Nc1cc(C#N)ccc1C)C(N)=O 1321688110 NSXWHYDTEYRBJM-LLVKDONJSA-N 318.333 -0.188 30 20 DBED COCCN1CC(=O)N(CCN/C(O)=C2\N=CC=CC2=O)C1=O 1321951140 VKPCTLNEXUSSCV-OUKQBFOZSA-N 322.321 -0.577 30 20 DBED COC[C@@H](CNC(=O)C(=O)NCC#Cc1ccccc1)OC 1322987640 GDTAOBZHTHUECT-CQSZACIVSA-N 304.346 -0.068 30 20 DBED CC#CC[C@H](CO)NC(=O)Cn1nc2n(c1=O)CCCCC2 1326382880 QQETZDPBHIFZDT-GFCCVEGCSA-N 306.366 -0.338 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C1 1326400920 KYTKOBHCEKTIPW-BBRMVZONSA-N 320.393 -0.536 30 20 DBED C=CCn1cc(C(=O)N2CCC[C@H](n3cc(CN)nn3)C2)nn1 1327120956 KABWXDLDPSQVKP-LBPRGKRZSA-N 316.369 -0.008 30 20 DBED C=CCN(C(=O)C(=O)NC[C@@H](C)S(C)(=O)=O)[C@H](C)COC 1328008534 ONINBLAAZHCFLL-GHMZBOCLSA-N 320.411 -0.415 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N1C[C@H](CO)OC(C)(C)C1 1328822957 IHIAXPBOPNIQNF-CYBMUJFWSA-N 306.362 -0.530 30 20 DBED C#CC1CCN(C(=O)C(=O)N2CCN(CC(C)(C)O)CC2)CC1 1332378092 ZMPPEZQDUCTDCW-UHFFFAOYSA-N 321.421 -0.227 30 20 DBED C#CCNC(=O)C1CCN(C(=O)C(=O)N(CC#C)C(C)C)CC1 1335121938 HFZXGMQPXINWIK-UHFFFAOYSA-N 317.389 -0.155 30 20 DBED COCCN(CCC#N)C(=O)C(=O)Nc1cnn(CC#N)c1 1338680546 DWLSKUISRRNGNZ-UHFFFAOYSA-N 304.310 -0.266 30 20 DBED N#Cc1ncn(CCNC(=O)Cn2c(=O)oc3ccccc32)n1 1341791942 XOXSGVMPPKPATF-UHFFFAOYSA-N 312.289 -0.126 30 20 DBED C=CCCOCCn1nnnc1N1CCO[C@H](C(=O)NC)C1 1344022696 GHNJEVOCJLMQDA-NSHDSACASA-N 310.358 -0.783 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCC[C@H](N2CCCC2)C1 1346543310 LUQKIFMBQYGUEG-AWEZNQCLSA-N 307.394 -0.161 30 20 DBED C#CC1(O)CCN(C(=O)NCc2nnnn2CC2CC2)CC1 1351122458 RJXVBROQQLUPCH-UHFFFAOYSA-N 304.354 -0.247 30 20 DBED C=C(C)Cn1nnnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1352157484 MZJCVKVHCSRMTD-JTQLQIEISA-N 305.342 -0.278 30 20 DBED C=CCNC(=O)CNC[C@@H](O)CN1C(=O)c2ccccc2C1=O 1353301806 UTUJDOPIADUPGP-LLVKDONJSA-N 317.345 -0.465 30 20 DBED CN1CCC[C@@H](NC(=O)CCn2cc(C#N)c(O)nc2=O)C1 1362075422 SQCLEKSLBKBYEY-LLVKDONJSA-N 305.338 -0.579 30 20 DBED CC(C)[C@H]1CN(C(=O)CCn2cc(C#N)c(O)nc2=O)CCN1 1362995545 CBTKJGVBWOYQAV-GFCCVEGCSA-N 319.365 -0.333 30 20 DBED C=C(Cl)CN1CC(CNC(=O)CN(C)C(=O)COC)C1 1366968136 RCZUCAKJLKVXHS-UHFFFAOYSA-N 303.790 -0.108 30 20 DBED COC(=O)NCC(=O)N1CC2(CCN(C(=O)[C@@H](C)C#N)C2)C1 1371284289 FMKROOIYHKVVLQ-JTQLQIEISA-N 308.338 -0.437 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1ccc2c(c1)CCO2 1376675907 NEVQDHANFRUGAL-MFKMUULPSA-N 317.345 -0.012 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](NC(=O)Cn1ncnn1)C(C)(C)C 1383297194 QMDKGHHTBLHFOI-VHSXEESVSA-N 307.358 -0.520 30 20 DBED CCCN(CCNC(=O)[C@H](C)C#N)C(=O)CS(C)(=O)=O 1398277539 ZCIXNDSYISVDNY-SNVBAGLBSA-N 303.384 -0.455 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CC[C@H](N[C@@H](C)C(=O)NC(N)=O)CC1 1401055652 MDYSCIRLCRSBOB-NAKRPEOUSA-N 309.370 -0.254 30 20 DBED C[C@@H](CNC(=O)[C@H](C)C#N)NC(=O)Cn1cc(C2CC2)nn1 1408307932 LMDDZKYQMFYFCH-ZJUUUORDSA-N 304.354 -0.064 30 20 DBED COc1cc(C(=O)NCC2(NC(=O)[C@H](C)C#N)CC2)nn1C 1410775986 UAAQDGYUZKCOPT-SECBINFHSA-N 305.338 -0.033 30 20 DBED N#Cc1c[nH]c(C(=O)N2CCS(=O)(=O)[C@H]3COCC[C@@H]32)c1 1417923208 PFBAZANVUADMAE-RYUDHWBXSA-N 309.347 -0.086 30 20 DBED N#Cc1cc(C(=O)N2CCS(=O)(=O)[C@H]3COCC[C@@H]32)c[nH]1 1417924465 WTZKIUHMDZYDGO-RYUDHWBXSA-N 309.347 -0.086 30 20 DBED CCN(CCC#N)C(=O)CN1CC(O)(CNC(=O)CC2CC2)C1 1423798744 GBMQVVAPFJPRDD-UHFFFAOYSA-N 322.409 -0.288 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCN(C)C(=O)CCNS(C)(=O)=O 1431398704 PDFDPDKRWUKQPZ-JTQLQIEISA-N 318.399 -0.998 30 20 DBED N#Cc1ccc(OCC(=O)NC[C@@H](O)Cn2ccnn2)cc1 1434053671 ANYDDAXESXJLRA-GFCCVEGCSA-N 301.306 -0.294 30 20 DBED CC(C)NC(=O)CN1CCN(CCNC(=O)[C@@H](C)C#N)CC1 1436698999 JPEOLFRYGQRBHR-ZDUSSCGKSA-N 309.414 -0.596 30 20 DBED C[C@H](NC[C@@H](O)CNC(=O)c1cc(C#N)c[nH]1)C(=O)N(C)C 1438982510 ORKHGXTURDDQPG-GXSJLCMTSA-N 307.354 -0.957 30 20 DBED CCn1ccc(CC(=O)N(C)C[C@@H](O)CNC(=O)[C@@H](C)C#N)n1 1444664660 PCRIAYXYXISFED-AAEUAGOBSA-N 321.381 -0.459 30 20 DBED C[C@H](NC[C@H]1CC[C@H](NC(=O)[C@H](C)C#N)CC1)C(=O)NC(N)=O 1447078538 OLWGFQTZTBNMFS-WRWGMCAJSA-N 323.397 -0.006 30 20 DBED C#CCNC(=O)CNC[C@H]1CCCCN1C(=O)c1nonc1C 1491275512 FAAUZQFJZGZCOO-GFCCVEGCSA-N 319.365 -0.288 30 20 DBED C[C@H](C#N)C(=O)N1CCC(NC(=O)CCn2cnnn2)CC1 1492125688 PHCGZVATJYQSJI-SNVBAGLBSA-N 305.342 -0.670 30 20 DBED C[C@H](C#N)C(=O)NCCN(C)Cc1nnnn1CC(F)(F)F 1492217263 NDRQWBFPRRZLPA-MRVPVSSYSA-N 319.291 -0.057 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)CN1CCCCCC1=O 1501606072 YHACZKXAQFWDCF-NWDGAFQWSA-N 324.381 -0.858 30 20 DBED C[C@@H](CN(C)C(=O)Cn1ccc(O)nc1=O)NC(=O)[C@H](C)C#N 1510650283 XXLHPWDASWCTRX-ZJUUUORDSA-N 321.337 -0.928 30 20 DBED N#CC1(OCCOC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CCOCC1 1525435635 QZBIXEVTHQQKQK-WDEREUQCSA-N 312.322 -0.348 30 20 DBED C[C@H](C#N)C(=O)N(C)CCNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 1573560828 GWYSMTVXJOIUOT-MRVPVSSYSA-N 316.325 -0.457 30 20 DBED CN(C(=O)Cn1cnc(C#N)n1)[C@@H](C(=O)O)c1cccnc1 1573852159 IELQFOIEZQACTP-GFCCVEGCSA-N 300.278 -0.171 30 20 DBED CC(C)(N)CCC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1575345685 LZLNYISATSDVSQ-UHFFFAOYSA-N 305.338 -0.279 30 20 DBED CS(=O)(=O)[C@@H]1CCN(c2cnc(C#N)c(-c3nn[nH]n3)n2)C1 1580154329 DJBRMTUGFOZPND-SSDOTTSWSA-N 320.338 -0.848 30 20 DBED O=C(C#CC1CCNCC1)N1CCC2(CC1)C[C@@H](O)CNC2=O 1580473128 OQWRPOIOCAQGKB-CQSZACIVSA-N 319.405 -0.521 30 20 DBED C#CC[C@H](NC(=O)c1cc(S(N)(=O)=O)ccc1C)C(=O)O 1588414597 WRBHYBIXWDLLIA-NSHDSACASA-N 310.331 -0.151 30 20 DBED C=C(CCC(=O)O)C(=O)NCC1(O)CCS(=O)(=O)CC1 1588622984 IKCLLAKLWSHAQB-UHFFFAOYSA-N 305.352 -0.537 30 20 DBED CC(C)C#CC(=O)NC[C@@H](CO)Nc1ncc(C(=O)O)cn1 1590928072 QHMJJFOPPCMRLD-NSHDSACASA-N 306.322 -0.277 30 20 DBED N#Cc1cc(C(=O)N2CCN([C@]3(C(=O)O)CCOC3)CC2)c[nH]1 1601084953 QGKYEOYQHVDLBZ-OAHLLOKOSA-N 318.333 -0.112 30 20 DBED N#Cc1ccc(NCC(=O)NC[C@@]2(C(=O)O)CCOC2)nc1 1601108346 MRPFZKIAYCJOBG-AWEZNQCLSA-N 304.306 -0.027 30 20 DBED C#CCN(C)CCCNc1nc(O)n(C)c(=O)c1-c1nn[nH]n1 1602716909 UTLVGYIQQIOVJN-UHFFFAOYSA-N 318.341 -0.967 30 20 DBED Cc1nnc(S)n(N=Cc2ccc(-c3nn[nH]n3)o2)c1=O 1606123974 KXIKJHBBHNZOSH-UHFFFAOYSA-N 304.295 -0.109 30 20 DBED N#Cc1cccc(-c2nn[nH]n2)c1N1CCC(O)(C(N)=O)CC1 1606381492 OYFUTPKOWLXFJP-UHFFFAOYSA-N 313.321 -0.445 30 20 DBED C=CCOC[C@H](NC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C(=O)OC 1609058884 AXAUIJWBQSIYGE-JTQLQIEISA-N 320.309 -0.331 30 20 DBED Cn1c(=O)[nH]c(N[C@H]2CCN(CC(F)(F)F)C2)c(C#N)c1=O 1650226300 KBMPHIIDPVWKEZ-ZETCQYMHSA-N 317.271 -0.006 30 20 DBED Cn1cc(C(=O)NCCN2CCN(CC#N)CC2)ccc1=O 1752367761 SMLQIPSYRBADMU-UHFFFAOYSA-N 303.366 -0.744 30 20 DBED C=CCNC(=O)CN[C@@H](CNC(=O)c1ccncn1)C1CC1 1752489660 GTCHPHJMKGFDIV-ZDUSSCGKSA-N 303.366 -0.123 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CCc2cncn2C1)NCC(=O)NCC#N 1752882595 YPGUJZFYXBNLHS-NWDGAFQWSA-N 318.381 -0.820 30 20 DBED CC#CCN1CCO[C@@H](CNC(=O)CCc2cnn(C)n2)C1 1753654184 QFPJAPOYBIVTQA-AWEZNQCLSA-N 305.382 -0.412 30 20 DBED C#CCNC(=O)CNC[C@H](O)CNC(=O)[C@@H](C)c1cccs1 1753927253 HFGQDWWKXRMWNT-RYUDHWBXSA-N 323.418 -0.332 30 20 DBED C=CCn1cc(C(=O)N[C@H](C)CNCc2cnnn2CC)nn1 1754243995 IBTPAODNDCPTOB-LLVKDONJSA-N 318.385 -0.016 30 20 DBED C#Cc1ccc(C(=O)N[C@@H](C)CNCc2nc(=O)n(C)[nH]2)cc1 1754278288 UAUOZODVGDMEOY-NSHDSACASA-N 313.361 -0.002 30 20 DBED Cc1cc(OCC(=O)N[C@@H](C)CN(C)CC(=O)NCC#N)no1 1754312753 HFVMLYRHKOSCJT-JTQLQIEISA-N 323.353 -0.562 30 20 DBED CCc1oncc1C(=O)N[C@@H]1[C@H]2C[C@H]1N(CC(=O)NCC#N)C2 1754428631 SQQITRAFGNTNRD-DRCTWCGVSA-N 317.349 -0.321 30 20 DBED COC[C@H](C)C(=O)N1CC[C@](C)(CNCC(=O)NCC#N)C1 1754689963 IOGORQCZVKBHEJ-SWLSCSKDSA-N 310.398 -0.263 30 20 DBED C=CCCNC1CCN(CCNC(=O)[C@@H]2CNC(=O)N2)CC1 1754850351 DUPTYRIJIOLJKH-ZDUSSCGKSA-N 309.414 -0.586 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@H](CCNCc2nc(O)n[nH]2)C1 1754915394 VPBPDNLWMAIZBC-NEPJUHHUSA-N 321.381 -0.123 30 20 DBED CC[C@H](NC(C)=O)C(=O)NCC1(NCC(=O)NCC#N)CCC1 1754986628 NHEOBRACQQJXCO-LBPRGKRZSA-N 323.397 -0.831 30 20 DBED N#CCNC[C@H]1CN(C(=O)c2cc3ncccn3n2)CCO1 1755013219 QTKYWZJCHQUFCK-NSHDSACASA-N 300.322 -0.317 30 20 DBED N#CCNC(=O)CN1C[C@@H]2C(CNC(=O)c3ccccn3)[C@H]2C1 1755429721 FUJWXEJBXSNDBR-CHWSQXEVSA-N 313.361 -0.371 30 20 DBED C#CCN[C@H](CO)CNC(=O)c1ccccc1N(C)C(C)=O 1755635846 URLRLHADVVCCGT-ZDUSSCGKSA-N 303.362 -0.017 30 20 DBED C#CCNC(=O)CN[C@H](CO)CNC(=O)c1ccc(F)c(C)c1 1755636410 HFRMMORYSKYQMZ-ZDUSSCGKSA-N 321.352 -0.436 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@H](CO)NC(=O)c1c[nH]nc1CC 1756515652 NLDDRBVOLWGSRT-BMIGLBTASA-N 324.381 -0.494 30 20 DBED C=CCC(C)(C)C(=O)NC[C@@H](CO)NC(=O)c1nnn(C)n1 1756522738 OZDCVLXSBVQIEJ-VIFPVBQESA-N 310.358 -0.981 30 20 DBED C=CCOCC(=O)N1C[C@@H](NC(=O)[C@@H]2COCCO2)[C@H](C)C1 1757056316 MOJBRTQUFPOELN-UPJWGTAASA-N 312.366 -0.433 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@H](NC(=O)[C@]2(F)CCOC2)C1 1757202010 CHPBKXWXRGDDGA-XUJVJEKNSA-N 312.341 -0.538 30 20 DBED C=CCCn1cc(C(=O)NCCc2cn(CC(=O)O)nn2)nn1 1776175474 PRCIQEFXIQVHIF-UHFFFAOYSA-N 319.325 -0.497 30 20 DBED C=CCn1cc(C(=O)N2C[C@@H](CC(=O)O)O[C@H]3COC[C@@H]32)nn1 1776189183 COFHABVVSKQNDZ-USWWRNFRSA-N 322.321 -0.453 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)Cc1cncnc1)CCO2 1783047815 IWCNTXBIFZSRGM-MRXNPFEDSA-N 314.345 -0.518 30 20 DBED N#CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(=O)C1CC1 1792898170 QUFAHFAWVJJCOH-PTEHBNRSSA-N 305.334 -0.531 30 20 DBED Cn1cnc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CC#N)n1 1795461647 UUMRWJQPKQDQRY-JGPRNRPPSA-N 302.338 -0.019 30 20 DBED C=C(C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN)C2)C(F)(F)F 1800548414 GRSPMRREHOBLNI-DOFRTFSJSA-N 321.299 -0.347 30 20 DBED N#CCCC(=O)N1CCCC12CN(C(=O)CC[C@@H](N)C(N)=O)C2 1842812642 ATWLXQWURUQBET-LLVKDONJSA-N 321.381 -0.914 30 20 DBED CC[C@@H](NC(N)=O)C(=O)N1CCCC12CN(C(=O)CCC#N)C2 1843336282 HZMVNMQWSDJESU-LLVKDONJSA-N 321.381 -0.060 30 20 DBED C#CCNC(=O)COC(=O)c1c(C)oc2ncn(C)c(=O)c12 28181149 NBSINXXKVVFDEN-UHFFFAOYSA-N 303.274 -0.259 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1CCC[C@H](C(=O)O)C1 71228533 YLAARAVJEJRGJN-NSHDSACASA-N 319.383 -0.110 30 20 DBED C/N=C(/NCCNS(C)(=O)=O)NC1CCN(C2CC2)CC1 85500531 PTFOICXKVBKRMW-UHFFFAOYSA-N 317.459 -0.673 30 20 DBED C#CCCCNC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 174078389 IQLRIYHTEGPYQR-UHFFFAOYSA-N 320.393 -0.124 30 20 DBED CN1C(=O)CC[C@@H](NS(=O)(=O)c2cccnc2C#N)C1=O 234337249 OXBKHWHNBLEREC-MRVPVSSYSA-N 308.319 -0.621 30 20 DBED C/N=C(/NC[C@@H](O)c1ccc(C)o1)NC[C@@H]1CN2CCN1CC2 261967253 MZJDAVQNWNZSPS-ZIAGYGMSSA-N 321.425 -0.214 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H](C)C[C@@H](C)O)C1=O 265892068 QLSVEECTYUWTTE-NXEZZACHSA-N 311.338 -0.514 30 20 DBED Cc1cc(NCCNc2c(C#N)c(=O)n(C)c(=O)n2C)n(C)n1 281020265 SAAKOUBFIYKMST-UHFFFAOYSA-N 317.353 -0.478 30 20 DBED CN(CC1(N(C)C)CCC1)c1c(C#N)c(=O)n(C)c(=O)n1C 302510885 SJXKECKRTHZFJZ-UHFFFAOYSA-N 305.382 -0.124 30 20 DBED CN1CCN(CC(=O)N2CCC[C@@H]2/C(O)=N/C2CC2)CC1=O 329541218 DGQGPGJORHOGKS-GFCCVEGCSA-N 308.382 -0.130 30 20 DBED O=C1CCCC(=O)N1CC/N=C(/O)CN1CCCS1(=O)=O 329839632 WCNPSMJWFCNBKW-UHFFFAOYSA-N 317.367 -0.483 30 20 DBED COCC(=O)N1CCN(/C(O)=N/[C@@H](C)CS(C)(=O)=O)CC1 330757235 HXCUTKSWBDRXAB-JTQLQIEISA-N 321.399 -0.876 30 20 DBED C[C@@H]([C@@H](C)N(C)/C(O)=N/C[C@H]1CN(C)CCO1)S(C)(=O)=O 330768212 SIPOQGWNWKHDDM-WOPDTQHZSA-N 321.443 -0.016 30 20 DBED CCN(C)C(=O)CN/C(O)=N/CCC(=O)N1CCOCC1 331047274 GYVMWAOZWXLKKD-UHFFFAOYSA-N 300.359 -0.783 30 20 DBED CCOC(=O)C[C@@H](C)N(C)S(=O)(=O)N1CCO[C@H](C#N)C1 336934082 DMWQTEIYPGUTHI-GHMZBOCLSA-N 319.383 -0.271 30 20 DBED COC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)N(C)[C@@H](C)CC#N 337977402 HIGUHXMLZAGFCE-AEJSXWLSSA-N 305.356 -0.927 30 20 DBED CS(=O)(=O)CCCNC(=O)CNC(=O)c1ccc(C#N)cc1 339155545 XRPLTISRWCIKFT-UHFFFAOYSA-N 323.374 -0.161 30 20 DBED CN(C)C[C@H](O)CNC(=O)C(=O)N1CCc2ccc(C#N)cc21 339793067 VOYRSBXUIZBCQS-CYBMUJFWSA-N 316.361 -0.514 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C)C[C@@H]2C)C1=O 344352583 OBMGDNPCOIBWRJ-JTQLQIEISA-N 308.338 -0.874 30 20 DBED CN1CCOC[C@H]1C(=O)N1CCN(c2cccc(C#N)n2)CC1 346406487 CNFGFUNPSNVLPQ-AWEZNQCLSA-N 315.377 -0.068 30 20 DBED C=CCNC(=O)C(=O)Nc1ccc(CNS(C)(=O)=O)cc1 347416308 RLOJRJDDBVDHDE-UHFFFAOYSA-N 311.363 -0.024 30 20 DBED COC(=O)CN(CC#N)C(=O)Cn1nc2ccccn2c1=O 348799074 NBMGQRHKLKYXCA-UHFFFAOYSA-N 303.278 -0.979 30 20 DBED COC(=O)c1sccc1S(=O)(=O)NCC(=O)NCC#N 352538043 DOLJZMHBUPJNRX-UHFFFAOYSA-N 317.348 -0.547 30 20 DBED N#Cc1cccc(F)c1CC(=O)N1CCN(C(=O)CO)CC1 354500255 MHTHSEUVHRQVSP-UHFFFAOYSA-N 305.309 -0.097 30 20 DBED C=C[C@H](CO)NC(=O)C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O 354572071 UZGGYBCEUFMOJS-MRVPVSSYSA-N 317.301 -0.486 30 20 DBED C=CCNC(=O)CNC(=O)c1ccc(=O)n(-c2cnn(C)c2)c1 355145193 QHXGRAUZAFDYFX-UHFFFAOYSA-N 315.333 -0.397 30 20 DBED C=CCSCCNC(=O)C(=O)N1CCn2nc(C)nc2C1 355295837 GRCAIFQCBPSVCB-UHFFFAOYSA-N 309.395 -0.036 30 20 DBED CCS(=O)(=O)NCC/N=C1/NS(=O)(=O)c2ccccc21 390365800 SNPGTDQBSQMFLT-UHFFFAOYSA-N 317.392 -0.336 30 20 DBED C[C@@H](C(=O)NC1(C#N)CCC1)N1CCN2C(=O)NC(=O)[C@H]2C1 527297732 HXCUMDFWSKRBGF-VHSXEESVSA-N 305.338 -0.827 30 20 DBED C[C@@]1(CNC(=O)C(=O)NC2CCN(CC#N)CC2)CCCO1 588127809 RAHVROCAIZRVDM-HNNXBMFYSA-N 308.382 -0.224 30 20 DBED CO[C@@H]1CS(=O)(=O)C[C@H]1NS(=O)(=O)CC1(CC#N)CC1 594823128 RVHXTXLCUVKTED-NXEZZACHSA-N 322.408 -0.588 30 20 DBED CC(C)[C@H](C#N)N1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 597046616 IHLLNYXFYUOJPM-QWRGUYRKSA-N 307.354 -0.723 30 20 DBED C[C@H]1CCN(C(=O)C(=O)N2CCN(CCC#N)CC2)C[C@@H]1CN 601580194 BWDLQPPXDOBVTD-KBPBESRZSA-N 321.425 -0.512 30 20 DBED C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(CCC#N)CC2)CCN1C 602244195 BDPOXUUBMHDAPE-ZIAGYGMSSA-N 321.425 -0.357 30 20 DBED N#CCOc1ccc(CNC(=O)NCCS(N)(=O)=O)cc1 727939863 NMIOQQVDCQILSD-UHFFFAOYSA-N 312.351 -0.323 30 20 DBED C#CCN1CCN(C(=O)c2cnc3n(c2=O)CCS3)CC1 744422966 MDQLFQVWAWADJP-UHFFFAOYSA-N 304.375 -0.260 30 20 DBED C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N=C1C[C@@H](C)ON1 765373999 WXCNIBGTSTYILP-SFYZADRCSA-N 315.355 -0.675 30 20 DBED C[C@H](C#N)COC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 770945504 WAMILQHQWYIIPC-MRVPVSSYSA-N 305.294 -0.863 30 20 DBED C=CCS(=O)(=O)NC(=O)c1cnc2c(c1)c(O)nc(=O)n2C 774248689 FYPDHXJFQMKWHS-UHFFFAOYSA-N 324.318 -0.720 30 20 DBED C#Cc1cccc(NC(=O)CNS(=O)(=O)c2cnnn2C)c1 795072334 KLCPBOSOAJXTMY-UHFFFAOYSA-N 319.346 -0.287 30 20 DBED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1cc(C)[nH]c1C(=O)OC 799283293 CETCFLAZBQMOKN-SNVBAGLBSA-N 321.333 -0.061 30 20 DBED O=C1CC(=NN=c2nc3[nH][nH]cc-3c(O)n2)[C@H]2CCCCN12 799480400 VGYYFUSYOJVUEK-SECBINFHSA-N 301.310 -0.015 30 20 DBED N#CCCn1ccc(NC(=O)C(=O)N2CC[C@H](C(=O)O)C2)n1 819091226 UFUIJGKULAFLOB-VIFPVBQESA-N 305.294 -0.332 30 20 DBED CCN(CCCNC(=O)[C@@](C)(C#N)CC(=O)O)S(C)(=O)=O 820343893 AADSZPIQHKMSKS-GFCCVEGCSA-N 319.383 -0.221 30 20 DBED CCN(CCCNC(=O)[C@](C)(C#N)CC(=O)O)S(C)(=O)=O 820343897 AADSZPIQHKMSKS-LBPRGKRZSA-N 319.383 -0.221 30 20 DBED CCN(CC)C(=O)CNC(=O)C(=O)Nc1cccc(C#N)n1 832213189 QEABTFBYWRHNAU-UHFFFAOYSA-N 303.322 -0.124 30 20 DBED C#CCN(C)CCCNC(=O)NCC(C)(C)NS(C)(=O)=O 836293496 NPKHYHLYUPEWLO-UHFFFAOYSA-N 318.443 -0.432 30 20 DBED Cc1ccc(S(N)(=O)=O)c(C(=O)N[C@H]2CNC[C@H]2C#N)c1 843460272 MXGNPIYJBPNLLN-KOLCDFICSA-N 308.363 -0.516 30 20 DBED C#CCN1CCC(C(=O)N2C[C@H](O)C[C@@H](C(=O)OC)C2)CC1 844109436 GPVMNTSEUORTJQ-ZIAGYGMSSA-N 308.378 -0.286 30 20 DBED COc1nccc(C=NN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C=C[C@H]3O2)n1 872427531 IVNDUISCWXNSMP-GWOFURMSSA-N 300.274 -0.243 30 20 DBED C#CCNS(=O)(=O)N1CCN(c2nnc(C)c(C)n2)CC1 872634068 URIIIGKZGZILCW-UHFFFAOYSA-N 310.383 -0.922 30 20 DBED C#CCNC(=O)CN1CCN(c2ccc(C(N)=O)cn2)CC1 917104324 XVJOMEOUOCPZJX-UHFFFAOYSA-N 301.350 -0.948 30 20 DBED N#Cc1cccc(OCC(=O)OCC(=O)N2CCNC(=O)C2)c1 919415916 NEBPOGQZCCKMOL-UHFFFAOYSA-N 317.301 -0.561 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)c3cnon3)C2)[nH]1 942256607 LIPHDDJZTAMIAN-SECBINFHSA-N 300.278 -0.086 30 20 DBED C#CCN1CC[C@H](NC(=O)c2nc(O)nc(O)c2OC)[C@H](C)C1 944135269 JMVCBMDOBJVQLC-ZJUUUORDSA-N 320.349 -0.030 30 20 DBED C=CCCn1cc(C(=O)N[C@@H]2[C@H]3C[C@H]2N(C(=O)COC)C3)nn1 947246067 YGHGDZNLJPQLPI-ZKYQVNSYSA-N 319.365 -0.170 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2nnc(O)nc2O)C[C@H]1C 947505870 GEIDHJNXRCAECX-ZJUUUORDSA-N 305.338 -0.111 30 20 DBED C[C@H]1C[C@H](NC(=O)CN2CCC(=O)NC2=O)CCN1CC#N 947899953 OASDEIMHQCWIFL-WDEREUQCSA-N 307.354 -0.579 30 20 DBED CC#CCN1CCN(C(=O)[C@H]2CCc3nnc(O)n3C2)CC1 948939869 UTPLGGORLPDFLX-LBPRGKRZSA-N 303.366 -0.286 30 20 DBED C#CCN1CC(N(CC)C(=O)c2ccc(-n3cnnn3)cn2)C1 950984420 QVHRJFWDKBRGPB-UHFFFAOYSA-N 311.349 -0.163 30 20 DBED C#Cc1cncc(C(=O)NC[C@H]2CCN2C(=O)c2ncn(C)n2)c1 952011895 GAOGSQJMLSKDAN-CYBMUJFWSA-N 324.344 -0.164 30 20 DBED C[C@@H](NC(=O)c1ccc(C#N)[nH]1)[C@H]1CCCCN1C(=O)C(N)=O 953649378 OFFHOFQWEJYCTC-BXKDBHETSA-N 317.349 -0.129 30 20 DBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC(N(C)C(=O)C(N)=O)C1 955163651 XALNJNPGHCFNIA-RYUDHWBXSA-N 309.366 -0.488 30 20 DBED C=CCn1cc(C(=O)N[C@]2(C)CCN(C(=O)CC(N)=O)C2)nn1 956927460 DKXCTDBZYSZBDO-CQSZACIVSA-N 320.353 -0.940 30 20 DBED C#CCCN1C[C@H](O)[C@H](CNC(=O)c2cccn3nnnc23)C1 958092171 NUUVBOFTWFWWCA-YPMHNXCESA-N 314.349 -0.830 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2cn(C)nc2C2CC2)C1 958100756 GNSUPPGFXFNNBC-TZMCWYRMSA-N 302.378 -0.047 30 20 DBED C=CCN1C[C@@H](O)[C@@H](CNC(=O)c2ccn3nnnc3c2)C1 958321123 SMRFDNPVRUGHBI-NWDGAFQWSA-N 302.338 -0.667 30 20 DBED CCCn1nc(C(=O)NC[C@@H]2CN(CC#N)C[C@H]2O)ccc1=O 958662413 SLLPKYCQPHBBEV-DGCLKSJQSA-N 319.365 -0.801 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CCNC(=O)C3)C[C@@H]2C1 961351328 LKLPTBCHIOXBJE-LPWJVIDDSA-N 318.377 -0.411 30 20 DBED N#CCN1C[C@H]2C(NC(=O)c3ccc(-n4cncn4)nc3)[C@@H]2C1 961438691 OKNOMFBNUNEJGA-VXGBXAGGSA-N 309.333 -0.154 30 20 DBED NC(=O)C(=O)NC1[C@@H]2CN(CC#Cc3ccc(F)cc3)C[C@@H]12 961637391 KEDNCBPQLRBIDW-CHWSQXEVSA-N 301.321 -0.291 30 20 DBED C[C@H](C#N)C(=O)N1CC2(C[C@@H](NC(=O)Cc3ccon3)CO2)C1 965668320 ULNSVUPDQRVMJE-ZYHUDNBSSA-N 318.333 -0.137 30 20 DBED C=CCNC1CC2(C1)CC(NC(=O)CN1C(=O)CNC1=O)C2 965903096 GSXADCVKZQQZTQ-UHFFFAOYSA-N 306.366 -0.259 30 20 DBED CCN(C(=O)c1cnn(C)c1N)C1CN(C(=O)[C@@H](C)C#N)C1 967895645 RCIWXKUCAOJYED-VIFPVBQESA-N 304.354 -0.165 30 20 DBED C=CCN1CC[C@@H](N[C@@H]2CCN(C(=O)C(C)(C)C(N)=O)C2)C1=O 968987122 XXBVLHUUSWHDKJ-VXGBXAGGSA-N 322.409 -0.525 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@H](NC(=O)[C@@H]2CCNC2=O)C1 969527296 XDHLRAVSJUYFMK-MXWKQRLJSA-N 309.366 -0.977 30 20 DBED C#CCN1CC([C@@H](C)NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 969668262 QHSRJJWTFPHTQG-NEPJUHHUSA-N 315.377 -0.168 30 20 DBED N#CCN1CCO[C@]2(CCN(C(=O)c3cncnc3O)C2)C1 972428976 STSTWRPIHXQUQD-CQSZACIVSA-N 303.322 -0.377 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)[C@@H]3CCCN3C(N)=O)C2)C1 972695855 KJGQLTCZBFGRNG-XJKSGUPXSA-N 320.393 -0.534 30 20 DBED Cn1ncc(C(=O)N[C@H]2C[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)n1 974045602 YWMMXRXMXCNXNP-AOOOYVTPSA-N 313.321 -0.294 30 20 DBED C[C@H](NCc1ncnn1C)[C@@H]1CN(C(=O)C#CC2CC2)CCO1 979329494 IQKKJJMASGYBSQ-JSGCOSHPSA-N 317.393 -0.066 30 20 DBED CN(C(=O)[C@H]1C[C@H]1C(N)=O)[C@@H]1CCCN(C(=O)C#CC2CC2)C1 984184568 PUAPSWURPIOANK-MCIONIFRSA-N 317.389 -0.029 30 20 DBED C[C@H]1[C@H](NCC#N)CCN1C(=O)c1coc(S(N)(=O)=O)c1 986435979 DQYYRJPMPAXXNI-WCBMZHEXSA-N 312.351 -0.357 30 20 DBED COC(=O)[C@H]1C[C@@H]1C(=O)N1CC(NC(=O)c2c[nH]c(C#N)c2)C1 990921608 XCDQAAUINYRINL-RYUDHWBXSA-N 316.317 -0.364 30 20 DBED C#Cc1ccc(C(=O)N2CC(n3cc(CNC(C)=O)nn3)C2)cn1 994719697 IQJHWHXSYSAPNX-UHFFFAOYSA-N 324.344 -0.012 30 20 DBED C[C@H](C#N)C(=O)N1CC(NC(=O)C[C@H]2CCCS2(=O)=O)C1 996549212 DBZDPGQKARRTLX-MWLCHTKSSA-N 313.379 -0.560 30 20 DBED N#CCN1CC[C@@H](n2cc(CNC(=O)c3cc[nH]n3)nn2)C1 999954140 FGXGYTVYZDFROX-LLVKDONJSA-N 300.326 -0.298 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](NC(=O)c2nnn(C)n2)C(C)(C)C1 1008447704 HEABAMAJHOLVEK-IUCAKERBSA-N 305.342 -0.663 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C(=O)C[C@@H]2CCC(=O)NC2)CC1 1011234398 RAZPGXHETVWBEK-RYUDHWBXSA-N 306.366 -0.267 30 20 DBED C[C@H]1[C@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)CC(N)=O 1011590082 CBPAFRAJKYGLLI-WCBMZHEXSA-N 303.322 -0.519 30 20 DBED CC(=O)N1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H](C)C#N)CC1 1011816902 ZEVUJUQHEBOHGH-AAEUAGOBSA-N 306.366 -0.172 30 20 DBED N#Cc1cc(C(=O)NC[C@H]2CC[C@H](NC(=O)C(N)=O)C2)c[nH]1 1015556419 YMVKMSKFCWUMMO-WPRPVWTQSA-N 303.322 -0.614 30 20 DBED O=C1N[C@H](C(=O)N2CC3(CCN(C(=O)C#CC4CC4)C3)C2)CO1 1018986030 BFQABBAUZUCGOK-LBPRGKRZSA-N 317.345 -0.431 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCN(C(=O)CS(C)(=O)=O)C2)C1 1019361639 NBNMLCOFNIOQLE-JTQLQIEISA-N 313.379 -0.748 30 20 DBED C=C(Br)CN1CC(NC(=O)[C@@H]2CN(C)C(=O)N2)C1 1030795137 LKLFDLUGSISMQN-VIFPVBQESA-N 317.187 -0.281 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@H](NCC(N)=O)[C@@H](C)C2)cn1 1036264162 LPVQGIKKPHJIOX-FZMZJTMJSA-N 300.362 -0.012 30 20 DBED C#Cc1cncc(C(=O)NC[C@@H]2CCN2Cc2nnnn2C)c1 1038685102 PXDZANVHBRBWIS-ZDUSSCGKSA-N 311.349 -0.409 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@]1(O)CCN(C(=O)c2cc[nH]n2)C1 1039575809 GILUXCXADLGMLX-GJZGRUSLSA-N 322.365 -0.570 30 20 DBED CC(C)C#CC(=O)NC[C@]1(O)CCN(C(=O)CCCC(N)=O)C1 1039665609 OPKZQXBTLPWSIJ-MRXNPFEDSA-N 323.393 -0.619 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)C2(N(C)C)CCC2)C1 1040114512 NELAFTJKCNCEEE-DOMZBBRYSA-N 322.409 -0.290 30 20 DBED CCN(C)C(C)(C)C(=O)N1CC[C@@](O)(CNC(=O)[C@@H](C)C#N)C1 1040765372 HWUGNVIZEAABII-BLLLJJGKSA-N 324.425 -0.044 30 20 DBED C=C[C@@](C)(CCOC)C(=O)N1CC(O)(CNC(=O)COC)C1 1041161117 TZTKWJARDBWRJI-AWEZNQCLSA-N 314.382 -0.449 30 20 DBED C#CCN1CC[C@]2(CCN(C(=O)CN3C(=O)CN(C)C3=O)C2)C1 1041819227 CKDHMNVEUPMIQH-INIZCTEOSA-N 318.377 -0.562 30 20 DBED C#CCN1CC[C@H]2CCN(C(=O)c3cn(C)c(=O)cn3)C[C@@H]21 1042159928 IHDIIEWRYWPKAX-JSGCOSHPSA-N 300.362 -0.050 30 20 DBED C[C@@]1(NC(=O)[C@H]2CCc3nnnn3CC2)CCN(CC#N)C1 1046637065 JOKDQNLBQINIHL-SMDDNHRTSA-N 303.370 -0.270 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2cccn3nnnc23)C1 1047395339 GIZIFVYVHNFDSX-STQMWFEESA-N 314.349 -0.735 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)N2C(=O)CCC2=O)C1 1047400791 JQBUHPOKCLFCEM-AVGNSLFASA-N 321.377 -0.949 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cn3c(n2)COCC3)C1 1047429293 SCDFPUGYNTVNEN-STQMWFEESA-N 306.366 -0.284 30 20 DBED C=C(C)CN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCCN2C(N)=O)C1 1047592380 MRGDPHPSTINCDD-RDBSUJKOSA-N 324.425 -0.001 30 20 DBED C#CCOCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[C@@H]2C)C1 1049220103 IKRZZQRXOWDAOD-XUXIUFHCSA-N 308.378 -0.288 30 20 DBED CC#CCN1C[C@@H]2CCCN(C(=O)CN3CCNC(=O)C3)[C@@H]2C1 1050109812 BBWAIBANVBNLRY-LSDHHAIUSA-N 318.421 -0.636 30 20 DBED C=CCOCC(=O)N[C@H](C)[C@H]1CCN(C(=O)c2cnnn2C)C1 1050593896 DIUQYQFTMLWACX-NEPJUHHUSA-N 321.381 -0.016 30 20 DBED CN(C)CCn1ccc(C(=O)NC[C@H]2COCCN2CC#N)n1 1050921565 GVAIMANGYWCLDB-ZDUSSCGKSA-N 320.397 -0.601 30 20 DBED N#CCN1CCOC[C@@H]1CNC(=O)c1cc2c(cn1)OCCO2 1050957553 NCEHSDVSYTYMJY-NSHDSACASA-N 318.333 -0.193 30 20 DBED C=C(C)CCN1CCOC[C@@H]1CNC(=O)[C@H]1CN(C)C(=O)N1 1051063034 DBDRLEYZRQIOHC-QWHCGFSZSA-N 310.398 -0.207 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@H](CNCc2cnon2)C1 1051834576 QYGUXYZICWJBQU-MCIONIFRSA-N 322.365 -0.022 30 20 DBED C=CCN1CC2(C[C@@H](NC(=O)c3cc(C(N)=O)ccn3)CO2)C1 1054027685 SDLFLXGDSRBQOT-GFCCVEGCSA-N 316.361 -0.060 30 20 DBED N#Cc1cnc(N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)Cn2cncn2)cn1 1055333786 YACSMUONVSFCBK-UPJWGTAASA-N 324.348 -0.134 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@](CO)(NC(=O)Cc2cc[nH]n2)C1 1055853534 YXQWPUBVKJPHGL-ABAIWWIYSA-N 319.365 -0.418 30 20 DBED O=C(C#CC1CC1)N[C@]1(CO)CCCN(C(=O)c2cnn[nH]2)C1 1055939501 ARCZNRFTFUPHIJ-OAHLLOKOSA-N 317.349 -0.699 30 20 DBED C[C@H](C#N)C(=O)N[C@]1(CO)CCCN(C(=O)C2=COCCO2)C1 1056093745 NVGCBHHBTUBEHL-IAQYHMDHSA-N 323.349 -0.496 30 20 DBED CCn1ncc(C(=O)N[C@H]2[C@@H]3CN(c4ccnc(C#N)n4)C[C@@H]32)n1 1056200077 BPLYJAANUBMZSF-MSRIBSCDSA-N 324.348 -0.176 30 20 DBED Cn1cncc1CC(=O)N[C@H]1[C@@H]2CN(c3nccnc3C#N)C[C@@H]21 1056254759 RZLRMXRVKIWZJG-JYAVWHMHSA-N 323.360 -0.125 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)CNC(N)=O 1056540558 LRLNUURGUDUOFI-GMTAPVOTSA-N 307.354 -0.594 30 20 DBED CC(=O)N1CC(C(=O)N2CC[C@@H](Nc3ccc(C#N)nn3)C2)C1 1056618361 XCXAUUBNUDENEZ-CYBMUJFWSA-N 314.349 -0.161 30 20 DBED C=C[C@](C)(O)CC(=O)N1C[C@@H]2CCCN(C(=O)CC(N)=O)[C@@H]2C1 1056634997 XBMSAMKBEDJPQE-OZVIIMIRSA-N 323.393 -0.362 30 20 DBED N#Cc1ccc(N[C@@H]2CCN(C(=O)C[C@H]3CCNC3=O)C2)nn1 1056716364 MRNKLFVRYSPXEL-ZYHUDNBSSA-N 314.349 -0.113 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)CCOC(C)C 1057037013 ZISLZJBNRFPIFY-UHFFFAOYSA-N 316.398 -0.059 30 20 DBED N#Cc1nccnc1NC1CCN(C(=O)[C@H]2COC(=O)N2)CC1 1057320472 HOXIQKCJUNVNPD-LLVKDONJSA-N 316.321 -0.140 30 20 DBED N#Cc1cc(C(=O)N(CCO)CCNC(=O)C(F)F)c[nH]1 1057391811 NKFBXWVGROHJIJ-UHFFFAOYSA-N 300.265 -0.298 30 20 DBED CCCOCC(=O)NCCN(CCO)C(=O)c1c[nH]c(C#N)c1 1057391853 PLBKLZOOQNEYFI-UHFFFAOYSA-N 322.365 -0.136 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)c1cc(=O)n(C)o1 1057439358 JJHATMSWURWSNC-UHFFFAOYSA-N 323.349 -0.668 30 20 DBED C=C[C@@](C)(O)CC(=O)N(CCO)CCNC(=O)c1cnccn1 1057450386 POQNPOXXVGCBKQ-OAHLLOKOSA-N 322.365 -0.646 30 20 DBED Cn1c(C(=O)NCCN(CCO)C(=O)C#CC2CC2)cnc1O 1057537820 NNULHZLXHZSCBS-UHFFFAOYSA-N 320.349 -0.910 30 20 DBED Cn1nnc(C(=O)N[C@@H]2CCCN(c3cnc(C#N)cn3)C2)n1 1058218722 BEDLRCOUYICMCL-SECBINFHSA-N 313.325 -0.729 30 20 DBED N#Cc1cncc(N2CC[C@@H](NC(=O)[C@H]3CCC(=O)N3)C2)n1 1058312990 BZXTZGHUMRALHE-MWLCHTKSSA-N 300.322 -0.678 30 20 DBED N#Cc1ccc(N[C@H]2C[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)nn1 1059413386 DGHSXGGJEHXBAB-DBIOUOCHSA-N 300.322 -0.471 30 20 DBED C#CCNC(=O)CC(=O)N1CC2(CCN(C(=O)C3CC3)CC2)C1 1060976058 GLOGGGUHORYANV-UHFFFAOYSA-N 317.389 -0.013 30 20 DBED N#Cc1cnc(N2CCC[C@@H]2CNC(=O)[C@@H]2COCCO2)cn1 1061298124 KFGVRXPHONKADD-OLZOCXBDSA-N 317.349 -0.151 30 20 DBED C=CCCC(=O)NC[C@H]1COCCN1C(=O)C[C@@H]1CCC(=O)N1 1061407483 QEGDSMIKAZCCHT-STQMWFEESA-N 323.393 -0.035 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)c1cnnc(O)c1 1061852482 ITDHOVRLHRVVEU-MWLCHTKSSA-N 319.321 -0.701 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)CCc1cn[nH]c1 1061853820 UXBJPECISPJJJA-DGCLKSJQSA-N 319.365 -0.154 30 20 DBED C=CCO[C@@H](C)C(=O)NCC1(NC(=O)Cn2cnnn2)CCC1 1063425310 DBEMDMSGACYFDS-NSHDSACASA-N 322.369 -0.581 30 20 DBED N#Cc1cncc(NC[C@H]2CCCN2C(=O)[C@H]2COC(=O)N2)n1 1063479186 RMXJLKVTVAFHER-GHMZBOCLSA-N 316.321 -0.140 30 20 DBED C[C@@H]1CCCN(C(=O)C(N)=O)[C@H]1CNc1cnc(C#N)cn1 1063957002 NUTUZKOXTKMNAN-KOLCDFICSA-N 302.338 -0.127 30 20 DBED Cn1cc(C(=O)N[C@@H]2[C@H]3C[C@H]2N(c2ccnc(C#N)n2)C3)nn1 1064242997 YMHWZTHRPRERRC-IYYTYJHQSA-N 310.321 -0.516 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(C(=O)c2ccon2)CCO1 1064912194 WELPPGMKZZXNKZ-GFCCVEGCSA-N 321.333 -0.328 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H]1CN(C(=O)c2cocn2)CCO1 1064971233 XGNWKJXJLBFMJZ-NWDGAFQWSA-N 321.333 -0.330 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CN(C(=O)C2=CCOCC2)CCO1 1065075857 QRXOQEKDAMCGRU-YPMHNXCESA-N 307.350 -0.164 30 20 DBED Cn1cc(C(=O)N2CCO[C@@H](CNC(=O)C#CC3CC3)C2)nn1 1065113923 STMWIVXBASPRAX-LBPRGKRZSA-N 317.349 -0.814 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CCCN(C(=O)Cn2ncnn2)CC1 1066153243 QSJTUPWAUCSTNF-CYBMUJFWSA-N 316.365 -0.416 30 20 DBED C[C@H]1CN(C(=O)Cc2cnc[nH]2)C[C@H]1N=c1cc[nH]c(C#N)n1 1067209012 YVJDCIQOUYQMPZ-CMPLNLGQSA-N 311.349 -0.005 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](CNC(=O)c3cocn3)C2)nn1 1067654181 UGQLLJJPPIXAGY-BXKDBHETSA-N 314.305 -0.437 30 20 DBED CC(=O)N[C@H](C)C(=O)N1CC2(CN(C(=O)[C@H](C)C#N)CCO2)C1 1068451912 WLUQLODEFIRAGM-GHMZBOCLSA-N 322.365 -0.890 30 20 DBED N#Cc1ccc(NC[C@H]2C[C@H](NC(=O)Cn3ncnn3)C2)nc1 1068531030 MRMYCXGGXWJDFY-HAQNSBGRSA-N 312.337 -0.053 30 20 DBED C[C@@H]1[C@@H](N=c2cc[nH]c(C#N)n2)CCN1C(=O)Cc1nc[nH]n1 1068896287 ZBPRSTJOERQFMJ-ZJUUUORDSA-N 312.337 -0.468 30 20 DBED C=C(C)CN1C[C@H](n2ccnn2)[C@H](NC(=O)Cc2nc[nH]n2)C1 1070071951 SKJFDJZADFIGCF-NEPJUHHUSA-N 316.369 -0.444 30 20 DBED C=C(C)CN[C@@H]1CN(C(=O)[C@@H]2COC(=O)N2)C[C@@H]1n1ccnn1 1070186886 USDGGFTYSQMULP-WOPDTQHZSA-N 320.353 -0.696 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@@H]1n1ccnn1 1070269036 YYZHMPQUHFCUNS-QLFBSQMISA-N 318.425 -0.161 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)[C@@H]4COC(=O)N4)C[C@@]3(C1)O2 1070794127 YWPASSJBXDNPTM-OZTPJHRESA-N 305.334 -0.970 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)c2cncnc2)CC1 1070957707 RQJRSRCXCYDGDH-UHFFFAOYSA-N 301.350 -0.626 30 20 DBED C#CCCCC(=O)N1C[C@H](C)[C@H](NC(=O)CCn2cnnn2)C1 1071993070 XWNUQJBAJHWZQN-QWHCGFSZSA-N 318.381 -0.170 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@@H]1C 1072535343 VZYPBLMHDAWJKN-VHSXEESVSA-N 306.370 -0.001 30 20 DBED C#CCCCC(=O)N[C@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1C 1072542962 DXPFVDRPNRCSCQ-MNOVXSKESA-N 304.354 -0.410 30 20 DBED C=CCCOCC(=O)N[C@H]1CN(C(=O)Cn2cncn2)C[C@H]1C 1072773650 UKBYZHMNHQDIJP-OLZOCXBDSA-N 321.381 -0.166 30 20 DBED Cc1c(C(=O)N2CC[C@@H]3OCCN(CC#N)[C@@H]3C2)nnn1C 1074196059 FXVYIQWQFSYLDM-NEPJUHHUSA-N 304.354 -0.438 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)c2coc(C(N)=O)c2)C1 1077443190 VKRHPDHEDSKKSU-NXEZZACHSA-N 313.741 -0.094 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCN(CC(F)(F)F)C2)C1 1077574229 KGEAJHWCMFWHTE-GMTAPVOTSA-N 320.315 -0.445 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)c2ccc(=O)n(CCC)n2)C1 1078160118 KWDKLLRSDLCVAP-ZIAGYGMSSA-N 318.377 -0.549 30 20 DBED C=CCOCC(=O)N(CC)C1CN(C(=O)c2nccnc2N)C1 1079490158 COKIKGGPWWKNMT-UHFFFAOYSA-N 319.365 -0.066 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2ccc(O)nn2)C1 1081218526 VDONPYSLVKSQPX-PWSUYJOCSA-N 320.349 -0.303 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@H]1O 1081338811 WLTRTGPZYMVQFM-GHMZBOCLSA-N 311.382 -0.600 30 20 DBED CC#CCCCC(=O)NC[C@H]1CN(C(=O)CC(=O)NC)C[C@@H]1O 1081669711 WPYVEZNIRGCYOV-STQMWFEESA-N 323.393 -0.748 30 20 DBED CC#CCN1C[C@@H](NC(=O)c2ccnc3[nH]nnc23)[C@H](OC)C1 1081930624 SXLZHGUUKFTZME-VXGBXAGGSA-N 314.349 -0.195 30 20 DBED C#CCCN1C[C@@H](NC(=O)c2cc(=O)c(OC)c[nH]2)[C@H](OC)C1 1081947375 ZLXMYUNHGXKQNA-IUODEOHRSA-N 319.361 -0.164 30 20 DBED C[C@H](C#N)C(=O)N1CCCC[C@H]1CNC(=O)CCNC(N)=O 1082266979 DZAGSEKTIPWSAD-MNOVXSKESA-N 309.370 -0.298 30 20 DBED C#CCCN1C[C@@H](NC(=O)[C@H]2CCCCN2C(N)=O)[C@H](OC)C1 1082319772 JAHIEEZVSUCLOY-MGPQQGTHSA-N 322.409 -0.242 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@H]2C[C@H](OC)CN2C(C)=O)C[C@H]1C 1082666523 CBKCOUQBWQNXOW-FAAHXZRKSA-N 307.394 -0.308 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CCN1CCCC1=O 1083278880 WGVCPQCKDZGZGM-LSDHHAIUSA-N 319.405 -0.066 30 20 DBED Cc1nnc(CN2C[C@H](O)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)o1 1083414282 VQUYAYXWVQBPOP-NEPJUHHUSA-N 316.321 -0.447 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2cn3c(n2)CC[C@@H](C)C3)C1 1083567027 KSDLPUXBMBYWTK-BZPMIXESSA-N 302.378 -0.127 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2cc(O)nc3c2CCCC3)C1 1084128261 KKKYIDQGCNYSHJ-KGLIPLIRSA-N 316.361 -0.036 30 20 DBED CN(C[C@@H]1CCN1CC#N)C(=O)[C@H]1CN2CC3CC2(CO1)C3 1085731451 AZPUPOMEHDSANB-IOSBVQAASA-N 304.394 -0.094 30 20 DBED CCN(c1cnc(C#N)cn1)[C@H](C)CNC(=O)CC(=O)NC 1089639737 KGSGCXQRMKWSNR-SNVBAGLBSA-N 304.354 -0.185 30 20 DBED N#CCN1CC[C@@H](NC(=O)CN2CCCCCCC2=O)[C@H](O)C1 1090311743 XSYVGPBFMFAOLY-ZIAGYGMSSA-N 322.409 -0.146 30 20 DBED CCO[C@@H](CC)C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1O 1090378168 STTYTPVRNIBSAM-UPJWGTAASA-N 319.365 -0.171 30 20 DBED CO[C@H](C)CC(=O)N[C@@H]1CN(c2nc(C)cc(C#N)n2)C[C@H]1O 1090395707 QXKHLNRZGGNENR-RAIGVLPGSA-N 319.365 -0.253 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2ccnc(OC)n2)[C@@H](O)C1 1090423983 VGXOPFLQLCRXSG-YPMHNXCESA-N 304.350 -0.327 30 20 DBED Cc1nnc(O)c(C(=O)N[C@H]2CCN(CC#N)C[C@@H]2O)c1C 1090482158 KWABGGZCRBANLA-QWRGUYRKSA-N 305.338 -0.512 30 20 DBED C#CCN1CC[C@@H](NC(=O)C(C)(C)N2CCOCC2)[C@H](O)C1 1090639916 FNAVKQUQZOZBEZ-ZIAGYGMSSA-N 309.410 -0.718 30 20 DBED C#CCN1CC[C@H](NC(=O)c2ccnc(NC(C)=O)c2)[C@@H](O)C1 1090657664 FXQVQCDRZJQDMH-KBPBESRZSA-N 316.361 -0.162 30 20 DBED C=CCN1CC[C@H](NC(=O)Cc2c(C)nc(O)nc2O)[C@@H](O)C1 1090670052 AHJMVAILEICFHB-RYUDHWBXSA-N 322.365 -0.524 30 20 DBED COC[C@H](C)C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1OC 1090868033 IDUPHCODOOJNCH-CYZMBNFOSA-N 319.365 -0.049 30 20 DBED CC#CCN1C[C@@H]2CN(C(=O)c3nnc(O)nc3O)C[C@]2(C)C1 1091822890 PQFZSDMBXMRCNX-BMIGLBTASA-N 317.349 -0.300 30 20 DBED C[C@]1(CNC(=O)CC(N)=O)CN(c2ccc(C#N)nc2)CCO1 1092735324 GYNCLEROMBHVRR-HNNXBMFYSA-N 317.349 -0.460 30 20 DBED CCCNC(=O)CCC(=O)NCCN=c1cc[nH]c(C#N)n1 1093757279 KASIONYQXUQAAE-UHFFFAOYSA-N 304.354 -0.395 30 20 DBED N#Cc1cncc(NCCNC(=O)c2cccn3c(O)nnc23)n1 1093761063 PHHYEPRRBNDACL-UHFFFAOYSA-N 324.304 -0.062 30 20 DBED N#Cc1c[nH]ccc1=NCCNC(=O)[C@H]1CCCS(=O)(=O)C1 1093867308 SMFFMIVVPIHUEB-NSHDSACASA-N 322.390 -0.272 30 20 DBED Cc1cc(=NCCNC(=O)[C@H]2CCN(C)C2=O)c(C#N)c[nH]1 1094047575 SZUSSXFXKRFGRW-GFCCVEGCSA-N 301.350 -0.310 30 20 DBED CN(CCCNC(=O)C1CS(=O)(=O)C1)c1nccnc1C#N 1095649755 OCUFCYGKRIPYRD-UHFFFAOYSA-N 323.378 -0.665 30 20 DBED CCc1nc(C#N)cc(N2CC[C@H](NC(=O)CNC(N)=O)C2)n1 1096322634 MPSPWXVRUWUTGM-VIFPVBQESA-N 317.353 -0.726 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCS(=O)(=O)N1)Nc1ccc(C#N)cn1 1097874559 JCXOWPDSEAPRKZ-GXSJLCMTSA-N 323.378 -0.438 30 20 DBED C[C@H](CNC(=O)C[C@@H]1CC(=O)NC1=O)Nc1nccnc1C#N 1097944329 VWWPHQTUPHAMPM-RKDXNWHRSA-N 316.321 -0.682 30 20 DBED Cc1cc(=N[C@H](C)CNC(=O)[C@H]2CN(C)C(=O)N2)c(C#N)c[nH]1 1098213563 KTPYUQQKCBYUSZ-ZWNOBZJWSA-N 316.365 -0.376 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)C(C)(C)F)[C@@H](O)C1 1099609650 DAYWOAKARAJVLW-QWRGUYRKSA-N 301.362 -0.412 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2cc(C)on2)[C@H](O)C1 1099651053 OPRIQIUMJDKSIX-TZMCWYRMSA-N 307.350 -0.202 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCN(CCC2CC2)C[C@@H]1O 1099788519 FYLKHJJKFMYRSO-KGLIPLIRSA-N 307.394 -0.523 30 20 DBED C=C(C)CCC(=O)N[C@H]1CCN(CCN2CCNC2=O)C[C@@H]1O 1099858458 MIGVSEQBPORXFZ-KBPBESRZSA-N 324.425 -0.081 30 20 DBED C#CCN1CC[C@@H](NC(=O)COCc2nccn2C)[C@H](O)C1 1099887734 JZUNBWHIXXFFCE-CHWSQXEVSA-N 306.366 -0.879 30 20 DBED CCN(CCNC(=O)CCNC(=O)NC)c1cnc(C#N)cn1 1100512021 BRCSPXPMRCUCHV-UHFFFAOYSA-N 319.369 -0.390 30 20 DBED CCN(CCNC(=O)CCn1ccnn1)c1ccc(C#N)nn1 1100520742 UKNKRRJGDWBORP-UHFFFAOYSA-N 314.353 -0.027 30 20 DBED COCC#CCN1C[C@@H]2CN(C(=O)CC(=O)N(C)C)C[C@]2(C)C1 1101387276 ZTYLNSRXGIFENC-PBHICJAKSA-N 321.421 -0.105 30 20 DBED C[C@@H](CNC(=O)CSCC#N)CNc1nccn2nnnc12 1103881565 MOQXSCUTFDPMTP-VIFPVBQESA-N 320.382 -0.060 30 20 DBED C[C@H](CN=c1cc[nH]cc1C#N)CNC(=O)[C@H]1CCC(=O)N1 1103901973 QQERGSIZBBHFGV-ZWNOBZJWSA-N 301.350 -0.182 30 20 DBED C#CCCNCc1cn(C2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)nn1 1105235348 AQWGGOHTQIVDPZ-CHWSQXEVSA-N 318.337 -0.561 30 20 DBED CN(CCN(C)c1cncc(C#N)n1)C(=O)CS(C)(=O)=O 1105344630 OOINTXKDLVHPMR-UHFFFAOYSA-N 311.367 -0.713 30 20 DBED C=C(C)CNCc1cn(C2CN(C(=O)CCCC(N)=O)C2)nn1 1105380957 KCHBCEPDTHWJQZ-UHFFFAOYSA-N 320.397 -0.017 30 20 DBED CN1CCOC[C@@H]1C(=O)NC[C@H](O)CNc1ncccc1C#N 1105829435 SDROMQNWUWXIKH-CHWSQXEVSA-N 319.365 -0.827 30 20 DBED COC[C@@H](O)CNC[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C 1105846483 XNQMJLKMXMWOLL-UPJWGTAASA-N 315.439 -0.065 30 20 DBED C=CCCOCC(=O)NC[C@H](O)CNc1ccc2nnnn2n1 1105890343 PHSQHVZOIRLHBZ-SNVBAGLBSA-N 321.341 -0.999 30 20 DBED C=CCO[C@H](C)C(=O)NC[C@H](O)CNc1cc(C)nc(CO)n1 1105892244 SPYUNTLFOKITDX-VXGBXAGGSA-N 324.381 -0.243 30 20 DBED COCCO[C@@H](C)C(=O)NC[C@@H](O)CNc1ccc(C#N)cn1 1105962146 CEOYMMYNJTZNRC-AAEUAGOBSA-N 322.365 -0.106 30 20 DBED N#Cc1cncc(NC[C@@H](O)CNC(=O)c2cnnc(O)c2)n1 1105992846 AYPZSUTXVPVKGO-SNVBAGLBSA-N 315.293 -0.953 30 20 DBED Cc1ncc(CC(=O)NC[C@H](O)CNc2cnc(C#N)cn2)o1 1106003894 JXVIZRCOYCGUCY-LLVKDONJSA-N 316.321 -0.224 30 20 DBED Cc1nocc1C(=O)NC[C@H](O)CNc1nccnc1C#N 1106083380 MWWDEWPJHYOTSI-SECBINFHSA-N 302.294 -0.153 30 20 DBED C[C@@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)Cn1cncn1 1106334329 WRBQFHSUFVOWFX-JTQLQIEISA-N 300.326 -0.631 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1C 1106781380 BAAHLFOCPKHJRI-GRYCIOLGSA-N 318.381 -0.760 30 20 DBED COC(=O)NCC(=O)NC/C=C\CNc1ccc(C#N)nn1 1107057394 AKWZPQYUJGGDEH-IHWYPQMZSA-N 304.310 -0.211 30 20 DBED N#Cc1c[nH]ccc1=NC/C=C\CNC(=O)Cn1cnnc1O 1107134129 RPFAAVGQYWGGQD-UPHRSURJSA-N 313.321 -0.543 30 20 DBED C=C[C@@](C)(O)CC(=O)NC/C=C\CNc1ccc2nnnn2n1 1107148014 AKNLKKOKFYKYAN-ZRUQZJFASA-N 317.353 -0.069 30 20 DBED C=CCCN1CC(n2cc(CNC(=O)[C@H](C)NC(N)=O)nn2)C1 1107164098 PRLOZDJFWZZTAP-JTQLQIEISA-N 321.385 -0.616 30 20 DBED C#CCCCC(=O)NC[C@]1(C)CN(Cc2nnn(C)n2)CCO1 1107900779 BZWFYKHWHSVFKM-OAHLLOKOSA-N 320.397 -0.279 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)[C@@H](C)S(C)(=O)=O)C1 1108028556 HTZUVXLDBFRIGK-DGCLKSJQSA-N 302.396 -0.740 30 20 DBED Cc1cc(=NC[C@H](C)NC(=O)[C@H]2CN(C)CCO2)c(C#N)c[nH]1 1108302853 GRDPDNGLMRDKKI-SWLSCSKDSA-N 317.393 -0.069 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)[C@H]2CCc3nn[nH]c3C2)C1 1108340742 IXQGPSQQMWAZEN-BLLLJJGKSA-N 317.393 -0.250 30 20 DBED CC(C)[C@@H](C(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1)N(C)C 1108553488 NCZQCXVSHBLSFS-WFASDCNBSA-N 321.425 -0.503 30 20 DBED C=C(C)C[C@H](C)C(=O)N[C@@H]1CC(=O)N(C2CN(CC(N)=O)C2)C1 1108567162 XFDYBFBTHXTPGU-NWDGAFQWSA-N 322.409 -0.525 30 20 DBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C1=COCCO1 1108892466 XKUONZGDWKCOFW-AGIUHOORSA-N 321.377 -0.102 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1ccon1 1108982443 JYINOXOCJORLKT-WXHSDQCUSA-N 302.334 -0.241 30 20 DBED CS(=O)(=O)CC(=O)N[C@@H](CNc1cncc(C#N)n1)C1CC1 1109768453 IHJBNXSYOFXSKI-NSHDSACASA-N 323.378 -0.300 30 20 DBED N#Cc1cncc(N2CC[C@](O)(CNC(=O)[C@H]3CCCO3)C2)n1 1111032210 VJDZFDJMKHWSFO-DOMZBBRYSA-N 317.349 -0.415 30 20 DBED CCCOCC(=O)N1CCO[C@@H](CN=c2cc[nH]c(C#N)n2)C1 1111945453 LXOWEDSHRNIIBH-LBPRGKRZSA-N 319.365 -0.164 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)CNC(=O)CCC)CC1 1112662083 WCXMENLJWQAMNN-ZDUSSCGKSA-N 324.425 -0.262 30 20 DBED C#CCNC(=O)CC(=O)N1CCN(Cc2cncn2C)CC1 1112773926 BQLKCZLXFKTOIP-UHFFFAOYSA-N 303.366 -0.796 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)c2ccncn2)CC1 1113442865 MBLBNARPAXIRNE-GFCCVEGCSA-N 303.366 -0.075 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)c2cnn3cc[nH]c23)CC1 1113578685 OSJIAXBAWRJXIO-UHFFFAOYSA-N 316.365 -0.278 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCN(CC(=O)NC(=O)NC)CC1 1113713003 JJGPYQMTIGEXKL-NSHDSACASA-N 312.370 -0.823 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)C#CC(C)C)[C@H]2C1 1114234610 NVDYFSIHDDYOHM-NYTXWWLZSA-N 301.390 -0.170 30 20 DBED C=C1CC(C)(C(=O)N[C@H]2[C@@H]3CN([C@H](C)C(=O)NC(N)=O)C[C@@H]32)C1 1114806565 YDHYAOMPDMOHAM-WYUUTHIRSA-N 320.393 -0.028 30 20 DBED N#CCNC(=O)CN1C[C@@H]2C(NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)[C@H]2C1 1114860296 YWDDNEYGZOKDDN-BNDIWNMDSA-N 318.377 -0.760 30 20 DBED C=CCO[C@H](C)C(=O)N[C@H]1[C@@H]2CN(Cc3nnnn3C)C[C@@H]21 1115332489 OMBHVKDQGQTNKY-DCQANWLSSA-N 306.370 -0.652 30 20 DBED Cc1cc(NC(=O)C(=O)N2C[C@H](C)[C@@H](O)C2)nn1CCC#N 1116473991 URBYJDBZSYZDSU-ONGXEEELSA-N 305.338 -0.117 30 20 DBED C#CCSCCNC(=O)C(=O)N[C@@H](C)CN1CCCC1=O 1117144721 INGALBRJEBRLJN-NSHDSACASA-N 311.407 -0.404 30 20 DBED C=C(CC)Cn1nnnc1N1CC[C@@H](S(=O)(=O)NC)C1 1120161655 KIJJTCNQBBTEFA-SNVBAGLBSA-N 300.388 -0.233 30 20 DBED N#Cc1c[nH]ccc1=N[C@H](CO)CNC(=O)COCC1CC1 1121091565 COEBAOAMQARATH-ZDUSSCGKSA-N 304.350 -0.309 30 20 DBED CO[C@H](C(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1)C1CC1 1121504849 IREPYUKTLLRPAP-MFKMUULPSA-N 305.338 -0.916 30 20 DBED C=CCn1c([C@@H](C)CO)nnc1N1CCO[C@H](C(=O)NC)C1 1121682886 XICCVAOQPAMVTD-QWRGUYRKSA-N 309.370 -0.489 30 20 DBED Cc1cc(=N[C@@H](CO)CNC(=O)c2cnn(C)n2)c(C#N)c[nH]1 1121770502 LHZWWDBHIKXWRS-LLVKDONJSA-N 315.337 -0.985 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CCCN(c2ccc(C#N)nn2)[C@@H]1C 1123537275 GRETWWPFBTUCSX-ZYHUDNBSSA-N 316.365 -0.042 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)CN(C)C(C)=O 1123819961 IITHYUWOKMENKH-UHFFFAOYSA-N 310.398 -0.629 30 20 DBED CC(=O)N[C@H](C)C(=O)N(C)C[C@@H](O)CN=c1cc[nH]cc1C#N 1124059620 KBGNQKFCJLJIDI-MFKMUULPSA-N 319.365 -0.869 30 20 DBED CCN(C)CCC(=O)N(C)C[C@H](O)CN=c1cc[nH]c(C#N)n1 1124493295 QGOMRCILDQTZAI-GFCCVEGCSA-N 320.397 -0.657 30 20 DBED CN(C[C@H](O)CNc1nc(Cl)c(C#N)s1)C(=O)C(N)=O 1124704613 RDGWQMMUWJSWKY-RXMQYKEDSA-N 317.758 -0.615 30 20 DBED CN(C)C(=O)CC(=O)N(C)C[C@H](O)CNc1ncccc1C#N 1124799279 XVJMXJFJCBVDGF-GFCCVEGCSA-N 319.365 -0.337 30 20 DBED CC(=O)NCC(=O)N(C)CCOCCNc1nccnc1C#N 1127150231 FNRCEZFZWATSSR-UHFFFAOYSA-N 320.353 -0.629 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@H]1CCCc2nccn21 1129416137 DTLGWLZABMTODM-GFCCVEGCSA-N 305.382 -0.232 30 20 DBED CC#CCN1CCOC[C@H]1c1n[nH]c(CNC(=O)[C@@H](C)OC)n1 1130832594 YYCDIRZPSGRGAL-NEPJUHHUSA-N 321.381 -0.148 30 20 DBED COC(=O)NCC(=O)N1C[C@H]2C[C@@H]3CN(CC#N)C[C@]2(C1)O3 1131190592 KJEYPSLLBRCMHP-JTNHKYCSSA-N 308.338 -0.832 30 20 DBED C=C[C@@H](CC)CC(=O)N1CCC(=O)NCCN(CC(N)=O)CC1 1131374420 YVXIDULWVFAKLM-ZDUSSCGKSA-N 324.425 -0.276 30 20 DBED C[C@H]1CCN(C(=O)c2cn(C)c(=O)n2C)C[C@@H]1CNCC#N 1133351901 VVDXCLQCBHULEK-RYUDHWBXSA-N 305.382 -0.065 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)NCCNCC(=O)NCCC 1134816970 JZWPLWZRQYTSRO-CYBMUJFWSA-N 312.414 -0.311 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cnc(C2CC2)nc1O 1134890658 WXWAYJBEKVTWCA-UHFFFAOYSA-N 317.349 -0.872 30 20 DBED C#CCNC(=O)CNCCNC(=O)CCc1nc(C2CC2)no1 1134916956 KVTGYVDZXGOWGT-UHFFFAOYSA-N 319.365 -0.665 30 20 DBED C#CCN[C@H](C)C[C@@H](C)NC(=O)CN(C)S(=O)(=O)CC 1135821081 KNSHOPZORHTHST-VXGBXAGGSA-N 303.428 -0.226 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)C(C)(C)c1cnn(C)c1 1136112968 ACSDOWXHAIGIKK-GFCCVEGCSA-N 319.409 -0.459 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1cnn(CC2CC2)c1 1146943379 IBQGJPYETUXKRM-GFCCVEGCSA-N 317.393 -0.250 30 20 DBED Cn1nccc1C(=O)N1CC2(CCN(CC(=O)NCC#N)C2)C1 1147117511 VNUXLWCACSQWCZ-UHFFFAOYSA-N 316.365 -0.792 30 20 DBED C=CCNC(=O)CN1CCC2(C1)CN(C(=O)C(C)(C)C(N)=O)C2 1147748792 QGZOAVOXWPPQKC-UHFFFAOYSA-N 322.409 -0.666 30 20 DBED COCCC1(NC(=O)[C@@H]2COC(=O)N2)CCN(CC#N)CC1 1151100570 UWTSVTVAAJSFFK-NSHDSACASA-N 310.354 -0.394 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)Cc1cncnc1 1157226695 NKXGHVJLSYNCKQ-LBPRGKRZSA-N 305.382 -0.194 30 20 DBED C=CCC[C@H](C)NCCCNC(=O)Cn1ccc(=O)n(C)c1=O 1159319211 WOAQVPBQPLKHFT-ZDUSSCGKSA-N 322.409 -0.002 30 20 DBED Cn1ccnc1CCC(=O)NCCCNCC(=O)NCC#N 1163044298 TUCQGKYDDSYVKR-UHFFFAOYSA-N 306.370 -0.912 30 20 DBED C=C(Cl)CNCCCNC(=O)CN1CC(=O)N(C)C1=O 1171027501 ZNUOZJVQRYAASC-UHFFFAOYSA-N 302.762 -0.271 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)C1(C(=O)NC)CCC1 1171757987 RUQZJQCUGZKXDI-GFCCVEGCSA-N 322.409 -0.864 30 20 DBED C#CCNCCCC[C@H](C)NC(=O)[C@H](C)NS(C)(=O)=O 1175450624 DJYNITGPQBFKLK-RYUDHWBXSA-N 303.428 -0.178 30 20 DBED C#CCNCCCC[C@H](C)NC(=O)c1cn(CC(N)=O)nn1 1176753043 CLZQRBUGXNKSNB-NSHDSACASA-N 306.370 -0.725 30 20 DBED C#CCNC(=O)CNCCCCCCNC(=O)Cc1cnc[nH]1 1179690079 ZGXKJIZFADJFIN-UHFFFAOYSA-N 319.409 -0.032 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 1181906748 LLNREGIEFHRRAX-DGCLKSJQSA-N 313.361 -0.172 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)Cc2cnc(C)o2)C1 1183222896 WRDGQZIHNDTADO-GFCCVEGCSA-N 304.350 -0.535 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2c(C)n[nH]c2C)C1 1186384365 LMOQJNALQSWXCO-QWHCGFSZSA-N 317.393 -0.031 30 20 DBED C=CCOCCN1C[C@@H]2CCN(C(=O)[C@@H]3CCNC3=O)[C@@H]2C1 1188760318 XCIBDNSNUWQEBB-BFHYXJOUSA-N 307.394 -0.142 30 20 DBED C=CCCN(C)[C@@H]1CCN(C(=O)CN(C)S(C)(=O)=O)C1 1190472326 JNZWWYKLPFLXBN-GFCCVEGCSA-N 303.428 -0.013 30 20 DBED N#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2ccccc2F)C1 1190700457 IMLLJYBEZPKNGR-CHWSQXEVSA-N 320.324 -0.760 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)Cc2cc(C)[nH]n2)C1 1192109334 DSDBTUSNGZBEKX-ZIAGYGMSSA-N 308.382 -0.375 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN([C@@H](C)c2noc(C)n2)C[C@H]1O 1192886288 OYUCRPXHHXQHHO-CYZMBNFOSA-N 322.365 -0.360 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2cc(C)no2)C[C@H]1O 1192886667 VBDIKCFVFNPYJW-ZIAGYGMSSA-N 307.350 -0.316 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2ccn(C)n2)C1 1194010196 IEUKAGIPKXQNJS-LBPRGKRZSA-N 305.382 -0.131 30 20 DBED N#CCNC(=O)CN1CCCN(C(=O)Cc2ccco2)CC1 1197501130 XOALGZFMOSCKFZ-UHFFFAOYSA-N 304.350 -0.004 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCCN(C(=O)Cn2cncn2)CC1 1198046241 FXXPWVPGCGEYFU-CYBMUJFWSA-N 320.397 -0.497 30 20 DBED COCC#CCN1CCCN(C(=O)CN2C(=O)CCC2=O)CC1 1198058278 HNDGSBJDSXTINP-UHFFFAOYSA-N 321.377 -0.681 30 20 DBED C=CCCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCS2(=O)=O)C1 1198849149 ZTMQIUQKCLXECA-JHJVBQTASA-N 316.423 -0.309 30 20 DBED C#CCNC(=O)[C@H](C)NC1CCN(C(=O)[C@@H]2CCCO2)CC1 1199216346 CCLOCEXGGFZUOE-JSGCOSHPSA-N 307.394 -0.116 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2cnns2)C[C@H]1O 1199317713 ANFQAECMUFKOMC-YUSALJHKSA-N 312.395 -0.210 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)c2cn(C)c(O)n2)CCCO1 1201318531 OGQZKBSDVHUWHV-GFCCVEGCSA-N 306.366 -0.030 30 20 DBED COCC#CCNC1CCN(C(=O)c2cc(C(N)=O)c[nH]2)CC1 1203063811 CVGZDRHURGIHMT-UHFFFAOYSA-N 318.377 -0.042 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CN(CCN(C)S(C)(=O)=O)C[C@H]1C 1206660047 VELTVVAZRPENTF-IJLUTSLNSA-N 316.427 -0.526 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)CCCC(=O)NC)[C@H](C)C1 1206893837 LYMJRSLYPLFBCM-CHWSQXEVSA-N 322.409 -0.911 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(CC(=O)NCCC)C[C@H]1C 1206963441 DXGDJLZMEANNQZ-MGPQQGTHSA-N 309.410 -0.013 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H](NCC(=O)NC(=O)NC2CC2)C1 1207688773 SKWYSJBLHBYCRN-CMPLNLGQSA-N 321.381 -0.285 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCN(C(=O)C[C@@H]2CCOC2)C1 1207727430 GPXXOUBPTUWCDP-QWHCGFSZSA-N 308.382 -0.367 30 20 DBED Cc1ncn(C)c1C(=O)N1CCC[C@@H](NCC(=O)NCC#N)C1 1208374094 WFBLUYCKOKHMHF-GFCCVEGCSA-N 318.381 -0.438 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)c2cnc(O)n2C)C1 1208941101 CXTFFPQRRNTKFY-NSHDSACASA-N 319.365 -0.931 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)Cc2ccon2)[C@H](OC)C1 1212075911 FPDROZPKOYMXMF-CHWSQXEVSA-N 322.365 -0.665 30 20 DBED C=CCN1C[C@@H](NC(=O)C2(S(C)(=O)=O)CCC2)[C@H](OC)C1 1213651858 LXDIQIUMNGDNDM-VXGBXAGGSA-N 316.423 -0.045 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@H](CC)N2CCCC2=O)[C@H](OC)C1 1213882063 JMUYZDQXJVBSIJ-HZSPNIEDSA-N 307.394 -0.164 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)CC2OCCCO2)C[C@H]1C 1214501955 QKTYWIHNIHMLEA-CHWSQXEVSA-N 323.393 -0.675 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)C[C@H]2CCN(C)C2=O)C[C@H]1C 1214921566 MLARCVVMTBIIBP-RBSFLKMASA-N 321.421 -0.059 30 20 DBED C[C@@H]1CN(C(=O)CCCCN(C)C)C[C@H]1NCC(=O)NCC#N 1216464720 STFGUMVLWHUVFW-ZIAGYGMSSA-N 323.441 -0.205 30 20 DBED C#CCCN[C@@H]1CN(C(=O)[C@@H]2COCCN2C(C)=O)C[C@H]1C 1216795221 KAEFRYWCZSXYPU-YUELXQCFSA-N 307.394 -0.307 30 20 DBED C=C(C)CN[C@@H]1CN(C(=O)CNC(=O)Cn2cncn2)C[C@H]1C 1216832031 FABUGMDNIOPWRT-CHWSQXEVSA-N 320.397 -0.593 30 20 DBED C=CCCO[C@H](C)C(=O)N[C@@H]1CN(Cc2n[nH]c(C)n2)C[C@@H]1O 1219324455 QICSLMFRNFHKNF-RTXFEEFZSA-N 323.397 -0.244 30 20 DBED CC1(C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@@H]2O)CC=CC1 1220273180 DXDCFFCAPFQBPU-NEPJUHHUSA-N 306.366 -0.856 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)CNC(=O)c3ccncc3)[C@@H]2C1 1221566969 MWNNWZDYZQQXCO-HUUCEWRRSA-N 312.373 -0.023 30 20 DBED N#CCNC(=O)CN1CCC(CNC(=O)c2ccon2)CC1 1222495968 VCGDVKKDYOIGBW-UHFFFAOYSA-N 305.338 -0.244 30 20 DBED CCC(=O)NCC(=O)NCC1CCN(CC#CCOC)CC1 1222647733 YESXIQPRYPNHRP-UHFFFAOYSA-N 309.410 -0.009 30 20 DBED Cc1ncc(C(=O)NC2CCN(CC(=O)NCC#N)CC2)[nH]1 1226549827 XNCRTADILPAZJR-UHFFFAOYSA-N 304.354 -0.448 30 20 DBED Cc1cc(C(=O)NC2CCN(CC(=O)NCC#N)CC2)cnn1 1227030722 SEVQYLCUMUCTAL-UHFFFAOYSA-N 316.365 -0.381 30 20 DBED C=C[C@@](C)(O)CC(=O)NC1CCN(Cc2nc(O)n[nH]2)CC1 1227124146 NIPNYEQBLJCBFT-CQSZACIVSA-N 309.370 -0.082 30 20 DBED C[C@@H]1OCCO[C@@H]1C(=O)NC1CCN(CC(=O)NCC#N)CC1 1227860171 GQTCIUIXNXNWAH-FZMZJTMJSA-N 324.381 -0.989 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)c2cn(CC)nn2)CC1 1229795992 LGKRPKORUAJVIK-UHFFFAOYSA-N 320.397 -0.206 30 20 DBED CC#CCN1CC[C@H]1CN(C)C(=O)CCS(=O)(=O)NC 1234284966 DXOHVVBPUFIYQW-LBPRGKRZSA-N 301.412 -0.518 30 20 DBED C#CCCN1CC[C@H]1CN(C)C(=O)[C@@H](C)NS(=O)(=O)CC 1234444917 HXJOLMWDAHFSDV-OLZOCXBDSA-N 315.439 -0.130 30 20 DBED C#CCCCNC(=O)C(=O)N[C@@H]1CCc2nc(COC)nn2C1 1261155516 LDFQCIXZUYVBGY-LLVKDONJSA-N 319.365 -0.615 30 20 DBED COC(=O)CN(CC#N)C(=O)c1ncc(C(N)=O)cc1Cl 1320040064 NNZVRKNCBFBJKO-UHFFFAOYSA-N 310.697 -0.027 30 20 DBED C#CCOCCNC(=O)C(=O)Nc1cccnc1-n1cncn1 1320173968 JAJXGCFATPPEHM-UHFFFAOYSA-N 314.305 -0.633 30 20 DBED C=C[C@H](COC)NC(=O)CSCC(=O)N1CCOCC1 1320441801 JOOCQVQHLVVAKD-LLVKDONJSA-N 302.396 -0.104 30 20 DBED N#CCNC(=O)CNS(=O)(=O)c1ccc2c(c1)C(=O)OC2 1322060205 CGCRDFHUAZIRNM-UHFFFAOYSA-N 309.303 -0.725 30 20 DBED C#CCCCCNC(=O)C(=O)N1CCO[C@H](CC(=O)OC)C1 1322967995 AMWNFMXHROYTFE-GFCCVEGCSA-N 310.350 -0.303 30 20 DBED C=CCNC(=O)CNC(=O)N1CCC(CS(C)(=O)=O)CC1 1324430327 NSWPFXDKHSMUJA-UHFFFAOYSA-N 317.411 -0.245 30 20 DBED C=C[C@@H]1CCCCN1C(=O)C(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 1325096329 BMHXDEUHCSBKAM-MNOVXSKESA-N 320.349 -0.684 30 20 DBED C=CCN(C(=O)C(=O)NCC(=O)NOCC)[C@H](C)COC 1328528541 DVJYMOJCLWHIGF-SNVBAGLBSA-N 301.343 -0.780 30 20 DBED CC(C)C(=O)NC1CCN(C(=O)NCC(=O)NCC#N)CC1 1329234451 NOOWPVVLSZECDN-UHFFFAOYSA-N 309.370 -0.428 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H]2CN)CCN1C1CC1 1334044777 DIOQWUNPWPNWNV-OLZOCXBDSA-N 305.382 -0.865 30 20 DBED COCC(=O)N1CCN(C(=O)C(=O)N2CCC[C@H](C#N)C2)CC1 1335473065 GFEXFWMAKNKUDH-GFCCVEGCSA-N 322.365 -0.934 30 20 DBED C#Cc1ccc(NC(=O)C(=O)NCCN2C(=O)CCC2=O)cc1 1337819603 RLLMPULZUDXTON-UHFFFAOYSA-N 313.313 -0.128 30 20 DBED C#CCN1CCN(c2nnc(-c3cc(CO)on3)n2C)CC1 1338191864 KOZZDQPOKVGOLJ-UHFFFAOYSA-N 302.338 -0.282 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CC[C@H]([C@H](C)O)C2)nn1 1345711283 RRQODGFVJHVUAL-QWRGUYRKSA-N 307.354 -0.690 30 20 DBED N#C[C@]1(F)CCN(C(=O)C(=O)N2CCSC[C@H]2CCO)C1 1348367593 SJZBBKYPHJWPCQ-ZWNOBZJWSA-N 315.370 -0.223 30 20 DBED C#CCSCCn1nnnc1N1CCO[C@H](C(=O)OC)C1 1355605394 INERXTWQWWXHKD-JTQLQIEISA-N 311.367 -0.582 30 20 DBED C#CCNCC(=O)N1CCC(N(CC)S(C)(=O)=O)CC1 1357259130 MDZJYWRZEYHXNF-UHFFFAOYSA-N 301.412 -0.518 30 20 DBED C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)Cn1cc(C#N)c(O)nc1=O 1362246297 SPEWEGGVMUWPAW-CABZTGNLSA-N 317.349 -0.581 30 20 DBED N#Cc1ncn(CC(=O)NCc2nc([C@@H]3CCCO3)n[nH]2)n1 1362611527 OUSHDECRJLFMPI-QMMMGPOBSA-N 302.298 -0.564 30 20 DBED N#Cc1c(F)cccc1C(=O)N1C[C@@H](C(N)=O)[C@H](C(N)=O)C1 1363141816 JIONTSGXZAXWRD-NXEZZACHSA-N 304.281 -0.644 30 20 DBED CN(C[C@@H](O)CNC(=O)c1c[nH]c(C#N)c1)C(=O)c1cn[nH]c1 1382931421 LXQBJHCABNLVMU-LBPRGKRZSA-N 316.321 -0.528 30 20 DBED COCCN(CCNC(=O)[C@H](C)C#N)C(=O)[C@@]1(F)CCOC1 1384410233 LIJWMXLQKCKWMP-BXUZGUMPSA-N 315.345 -0.134 30 20 DBED COCCN(CCNC(=O)[C@@H](C)C#N)C(=O)[C@]1(F)CCOC1 1384410234 LIJWMXLQKCKWMP-FZMZJTMJSA-N 315.345 -0.134 30 20 DBED C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)CNC(=O)[C@H]1COC(=O)N1 1391217342 IWHPCXVUQGUUTQ-GZMMTYOYSA-N 319.321 -0.523 30 20 DBED CCN(C(=O)[C@H](C)C#N)[C@H](C)CNC(=O)CN1CCOCC1 1396298580 QRXYFTNWKBSJQD-CHWSQXEVSA-N 310.398 -0.169 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@H](NCc2nnc3n2CCOC3)C1 1398545447 VZBZDGXMZRAZCP-DCAQKATOSA-N 304.354 -0.295 30 20 DBED CNS(=O)(=O)CC(=O)NC1CN(Cc2cccc(C#N)c2)C1 1404840144 VEGXFQCIIAJFBY-UHFFFAOYSA-N 322.390 -0.592 30 20 DBED C[C@@H](C#N)C(=O)N(CCNC(=O)C1(NC(N)=O)CC1)C1CC1 1408910312 RRJKXPLAWZWCOZ-VIFPVBQESA-N 307.354 -0.546 30 20 DBED C=C(Cl)CNC[C@H](O)CNC(=O)c1cnc2c(c1)nnn2C 1422329547 LIDGPWNZCKSBTB-JTQLQIEISA-N 324.772 -0.204 30 20 DBED C=C(Cl)CNC[C@H](O)CN(C)C(=O)CN1CCCC1=O 1425987599 UPBQNJSUKTWEDO-NSHDSACASA-N 303.790 -0.230 30 20 DBED CN(CCNC(=O)c1cc(C#N)c[nH]1)C(=O)Cn1cccn1 1429218436 KPGZUHROXLWAAX-UHFFFAOYSA-N 300.322 -0.029 30 20 DBED COC(=O)NCC(=O)N1CC[C@](C)(CNC(=O)[C@H](C)C#N)C1 1432622801 LTGNGUCVVVPZTB-QMTHXVAHSA-N 310.354 -0.143 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(CC1)CN([C@@H](C)C(=O)NC(N)=O)C2 1438619812 QPBNPEHZTRGVCA-QWRGUYRKSA-N 321.381 -0.346 30 20 DBED COCC(=O)NCCC(=O)N1CCC[C@@H]1CNC(=O)[C@H](C)C#N 1455765637 URNUECSPHJGNLJ-VXGBXAGGSA-N 324.381 -0.594 30 20 DBED CCS(=O)(=O)NCCS(=O)(=O)NCC(C)(C)CC#N 1463844220 KUNSWKXMFFNUIN-UHFFFAOYSA-N 311.429 -0.215 30 20 DBED N#CC1(C(=O)O)CCN(C(=O)C2=C3CCCN=C3NN2)CC1 1571079241 CBVUPNOYHKESBD-UHFFFAOYSA-N 303.322 -0.242 30 20 DBED C=CC1(CC(=O)N2CCC[C@H](CS(=O)(=O)NC)C2)CNC1 1574880370 MQIQHSSDQPCWEQ-LBPRGKRZSA-N 315.439 -0.060 30 20 DBED CCO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1CNCc1cnn[nH]1 1576586732 SZPLNBLYYGXZDT-DMDPSCGWSA-N 306.370 -0.083 30 20 DBED COC(=O)C1CCN(c2cnc(-c3nn[nH]n3)c(C#N)n2)CC1 1579442422 HBKSGDRBHXKEHY-UHFFFAOYSA-N 314.309 -0.082 30 20 DBED C#C[C@H](CO)NS(=O)(=O)c1cc(F)c(F)c(C(=O)O)c1 1588370724 LZMJNIRSMKRYGR-ZCFIWIBFSA-N 305.258 -0.065 30 20 DBED C#CCN(CC(=O)O)C(=O)[C@@H]1CN(C(=O)C(C)(C)C)CCO1 1588400226 SWKJBRMEANDMBA-NSHDSACASA-N 310.350 -0.194 30 20 DBED C=CC[C@@H](C(=O)O)N1CCS(=O)(=O)C[C@@H]1CC(=O)OC 1588732203 WGAJXSGNFDLTOQ-UWVGGRQHSA-N 305.352 -0.322 30 20 DBED C[C@H](CNC(=O)[C@H](C)C#N)N=c1cc[nH]cc1-c1nn[nH]n1 1589849745 LNLJQQAOUWLHMW-RKDXNWHRSA-N 300.326 -0.240 30 20 DBED CO[C@H]1CN(c2cnc(C#N)c(-c3nn[nH]n3)n2)C[C@H]1OC 1591473058 SBFJKPSSFWAXGV-DTORHVGOSA-N 302.298 -0.622 30 20 DBED C[C@H]1CN(S(=O)(=O)N(C)[C@H](C)CC#N)C[C@@H](C(=O)O)O1 1592222275 TXEPEQIPTFAZLT-UTLUCORTSA-N 305.356 -0.361 30 20 DBED N#CCN1CCC2(C1)CN(C(=O)c1c[nH]c(-c3nn[nH]n3)c1)C2 1592677443 FALNCOAYAXIQFY-UHFFFAOYSA-N 312.337 -0.134 30 20 DBED C#CC[C@@H](NS(=O)(=O)c1ccc2c(c1)nnn2C)C(=O)O 1602698299 AZPKMSFBYLPJFV-SECBINFHSA-N 308.319 -0.277 30 20 DBED C#CCC1(NC(=O)NCCn2cnc(-c3nn[nH]n3)n2)CCC1 1602700502 XIIMTNTYUDKYGV-UHFFFAOYSA-N 315.341 -0.297 30 20 DBED CCN(CCC#N)C(=O)CN1C[C@@H](C(=O)O)[C@H](C(=O)OC)C1 1605438348 YOLVSQBNKSQPBW-GHMZBOCLSA-N 311.338 -0.446 30 20 DBED N#Cc1cccc(-c2nn[nH]n2)c1NCC1(S(N)(=O)=O)CC1 1606379773 MIETZMGYSIWDKC-UHFFFAOYSA-N 319.350 -0.029 30 20 DBED COC(=O)[C@H]1CCN(S(=O)(=O)CCCC#N)[C@H](C(=O)O)C1 1606413773 HNEOFUDAEDJTLM-UWVGGRQHSA-N 318.351 -0.042 30 20 DBED CCOCCNC(=O)Cn1c(C)nc(C#N)c1-c1nn[nH]n1 1609240780 DYIMEWQITKJDHU-UHFFFAOYSA-N 304.314 -0.604 30 20 DBED N#C[C@H]1CN(S(=O)(=O)N2CCC(CC(=O)O)CC2)CCO1 1610620860 PBUOXAGDEOWIJE-NSHDSACASA-N 317.367 -0.358 30 20 DBED CCc1cc(C(=O)N[C@@H]2CCN(CC(=O)NCC#N)C2)no1 1715005594 HOCDNWBVDNBELB-SNVBAGLBSA-N 305.338 -0.319 30 20 DBED C=CCNC(=O)CN[C@H](CNC(=O)[C@H]1CCN(C)C1=O)C1CC1 1752480414 MLYSXYKILCQBLQ-CHWSQXEVSA-N 322.409 -0.749 30 20 DBED C[C@@H]1C[C@H](C(=O)N[C@H]2C[C@H](NCC(=O)NCC#N)C2)CCO1 1752672174 AUHRVULBQSPXLW-FDYHWXHSSA-N 308.382 -0.322 30 20 DBED C#CCN1CCC[C@H]([C@H](C)NC(=O)Cn2c(O)nnc2O)C1 1752839947 FXJXNWWYRZIFLF-QWRGUYRKSA-N 307.354 -0.461 30 20 DBED C=CCN1CC[C@@H](N[C@@H](C)CNC(=O)CCn2cncn2)C1=O 1752859350 AKVZGNIPHRNUBW-QWHCGFSZSA-N 320.397 -0.451 30 20 DBED Cc1cncn1CC(=O)N1CC[C@@H](CNCC(=O)NCC#N)C1 1752947020 WJIAEFWFSXJJFK-ZDUSSCGKSA-N 318.381 -0.731 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CCCN1CCN1C(=O)CNC1=O 1753105334 NHLWPPFPZKHMRD-CYBMUJFWSA-N 318.377 -0.468 30 20 DBED C=CCN1CC[C@@H](NCCN(C)C(=O)Cc2ccn(C)n2)C1=O 1753188240 OCNXDZAPHHDBDX-CQSZACIVSA-N 319.409 -0.203 30 20 DBED C=CCNC(=O)CNCCN(C)C(=O)c1cc(=O)c(OC)c[nH]1 1753212103 NLBQWKWJSKCUMO-UHFFFAOYSA-N 322.365 -0.653 30 20 DBED C#CCNC(=O)CN[C@H](CC)CNC(=O)C[C@@H]1CCN(C)C1 1753495026 COTZTROCYDIYKO-UONOGXRCSA-N 308.426 -0.438 30 20 DBED Cn1cc(C(=O)N2CCC[C@@H](CCNCC#N)C2)c(O)nc1=O 1753561046 KRVFQUXCSYIBTO-NSHDSACASA-N 319.365 -0.159 30 20 DBED Cc1nccc(C(=O)NC/C=C\CNCC(=O)NCC#N)n1 1754208190 YCNVMOHRQLSLHM-IHWYPQMZSA-N 302.338 -0.700 30 20 DBED C#CCNC(=O)[C@H](C)N(C)C[C@@H](C)NC(=O)c1cn(C)nn1 1754307359 AKFGHLCNQXJGHC-MNOVXSKESA-N 306.370 -0.997 30 20 DBED C#CCNC(=O)CNC[C@@H](NC(=O)C[C@H]1CCCO1)C1CC1 1754434272 QFLNAVSVVWZKOE-ZIAGYGMSSA-N 307.394 -0.211 30 20 DBED CC[C@@H]1CN(C(=O)CCNC(=O)COC)CC[C@@H]1NCC#N 1754463780 GKYUVLMIJMZRSF-OLZOCXBDSA-N 310.398 -0.121 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@@H]1CNC(=O)c1c(C)ncn1C 1754486181 JZBBGCDURNQHQM-QWHCGFSZSA-N 317.393 -0.329 30 20 DBED C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](NC(C)=O)C(N)=O 1754544217 ZRFMXQQBHFIWEA-RDBSUJKOSA-N 320.393 -0.935 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C1CN(CCNC(=O)NC(C)C)C1 1754575736 ZWXKYJXBLKGGKH-CYBMUJFWSA-N 324.425 -0.125 30 20 DBED C#CCNC(=O)CNC[C@]1(C)CCN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1754703414 ODMXYKJTESABNV-SHFYGJNESA-N 319.405 -0.544 30 20 DBED C=CCOCC(=O)NC[C@@]1(O)CCN(Cc2nncn2C)C1 1754745823 IHJBZNUJMWKGSD-AWEZNQCLSA-N 309.370 -0.929 30 20 DBED C[C@H](C(N)=O)N1CCC[C@](CO)(NC(=O)C#CC(C)(C)C)C1 1754856461 LNCNNGMQXBVLPF-WBMJQRKESA-N 309.410 -0.147 30 20 DBED C#CCNC(=O)CNC1(CNC(=O)[C@@H]2CCCOC2)CCC1 1754978755 QXBSQCSXFVEXTF-CYBMUJFWSA-N 307.394 -0.209 30 20 DBED CC#CCNCC1(NC(=O)C[C@@H]2CCC(=O)N2)CCOCC1 1755098032 FGGALJZJJVWHFL-ZDUSSCGKSA-N 307.394 -0.067 30 20 DBED C[C@@H](NC(=O)CN1CCCC1)C1CN(CC(=O)NCC#N)C1 1755391331 IYIDZNPVQBGNFM-GFCCVEGCSA-N 307.398 -0.842 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](CNC(=O)[C@@]34COC[C@@H]3C4)[C@H]2C1 1755423357 RJVCOIDUCHTRTQ-CGEFAEBTSA-N 319.405 -0.381 30 20 DBED C=CCNC(=O)NC(=O)CN[C@H](CO)CNC(=O)C1=CCCC1 1755625370 KBGPRFXWBVEKIB-LBPRGKRZSA-N 324.381 -0.825 30 20 DBED CN(C(=O)C#CC1CC1)[C@H](CNC(=O)[C@@H]1COC(=O)N1)C1CC1 1756413032 JXUNOESCIRQCHP-QWHCGFSZSA-N 319.361 -0.139 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H](CO)CNC(=O)c1cnnc(C)c1 1756515243 IGGKWIHYYUUZBH-YPMHNXCESA-N 320.349 -0.970 30 20 DBED C=CCCOCC(=O)N[C@@H]1C[C@@H](C)N(C(=O)Cn2ncnn2)C1 1756589776 ILVHKRLAFNLRCR-VXGBXAGGSA-N 322.369 -0.629 30 20 DBED Cc1cc(C(=O)NC[C@H](O)CN(C)C(=O)C#CC2CC2)n[nH]1 1756661711 DAQDSLZTDYCGLZ-LBPRGKRZSA-N 304.350 -0.319 30 20 DBED C[C@@H]1[C@@H](NC(=O)[C@@H]2CNC(=O)N2)CCN1C(=O)C#CC(C)(C)C 1757537576 KSXLVHAAPANVDF-WOPDTQHZSA-N 320.393 -0.177 30 20 DBED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1nc[nH]n1)C2 1781692821 GRXDLDXOKMEAIV-IAQYHMDHSA-N 317.349 -0.435 30 20 DBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(C)=O)C2)C1 1839806497 CJJMHHJLMWXLQQ-INIZCTEOSA-N 322.361 -0.555 30 20 DBED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)C2CCOCC2)C1 1842761927 KMYZLLKBLRXMRF-UHFFFAOYSA-N 320.345 -0.296 30 20 DBED C#CC(=O)N1CC2(CCCN2C(=O)c2ccc(OC)nn2)C1 1844604688 WESPQRNCXVXVKG-UHFFFAOYSA-N 300.318 -0.065 30 20 DBED C/N=C(/NCCNS(C)(=O)=O)NCc1nc(C)c(C)s1 85449819 BZHIHCXUUABCOD-UHFFFAOYSA-N 319.456 -0.026 30 20 DBED COCC(=O)N1CCN([C@H](C(N)=O)c2ccc(C#N)cc2)CC1 115536024 NGVWPQSLFFHBRU-HNNXBMFYSA-N 316.361 -0.125 30 20 DBED CCNC(=O)NC(=O)[C@@H](C)N(C)CCCc1n[nH]c(N)c1C#N 153264254 APMKVAPFLNFCBG-SECBINFHSA-N 321.385 -0.038 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C(=O)O)C(C)C)C1=O 262019460 XEQFNSBXSPGGIG-VIFPVBQESA-N 311.294 -0.811 30 20 DBED C=CCCCC(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 276364053 JJUKJHDNYABSRK-UHFFFAOYSA-N 321.381 -0.169 30 20 DBED C[C@H]1[C@@H](/N=C(/O)[C@@H]2CN3CCCN2CC3)CCS1(=O)=O 329238886 LNFZSCWREUUZJK-SRVKXCTJSA-N 301.412 -0.092 30 20 DBED Cn1ccnc(N=C(O)N2CCN(c3ncccn3)CC2)c1=O 329433639 LFUVOAQPQGIAIB-UHFFFAOYSA-N 315.337 -0.062 30 20 DBED O=S1(=O)CCC[C@@H]1C/N=C(/O)N1CCO[C@@]2(CCOC2)C1 329887109 XALYFMRLQKBBRR-YPMHNXCESA-N 318.395 -0.031 30 20 DBED NS(=O)(=O)[C@H]1CCN(/C(O)=N/CCOCC(F)F)C1 330375878 OHNLGCZSESGMFT-ZETCQYMHSA-N 301.315 -0.455 30 20 DBED COCC(=O)N1CCN(/C(O)=N/[C@H](C)C[S@](C)=O)CC1 330825884 HJVHWPXTRGIOIO-SBKAZYGRSA-N 305.400 -0.542 30 20 DBED CNC(=O)[C@H](CO)NS(=O)(=O)CC1(C#N)CCCCC1 331090265 HGRWBPGMZHLWEY-JTQLQIEISA-N 303.384 -0.513 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)NCc2nccn2C(F)F)CCO1 337082668 ZWAWEXJBALYCMQ-MRVPVSSYSA-N 321.309 -0.163 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCc2c[nH]nc2C)C1=O 340544906 ZYCRRCAURCEZFY-LBPRGKRZSA-N 319.365 -0.420 30 20 DBED CCC(CC)(NC(=O)C1CN(c2nccnc2C#N)C1)C(N)=O 343916436 PLSSALRCOOSLNC-UHFFFAOYSA-N 316.365 -0.055 30 20 DBED Cn1nnnc1SCCC(=O)Nc1ccn(CCC#N)n1 344252913 HDJXANNCDRYKOF-UHFFFAOYSA-N 306.355 0.441 30 20 DBED C=CCNC(=O)CNC(=O)c1cncc(NS(C)(=O)=O)c1 347886716 ABNRPRBVCFNVOQ-UHFFFAOYSA-N 312.351 -0.515 30 20 DBED COCCN1C[C@@H](C(=O)Nc2cc(C)n(CCC#N)n2)CC1=O 348800484 YLYWYZBQZGOKPT-LBPRGKRZSA-N 319.365 0.539 30 20 DBED CCCNC(=O)[C@H]1CCCN(C(=O)NCC(=O)NCC#N)C1 358316101 QXKBQYCXCGXJAT-NSHDSACASA-N 309.370 -0.426 30 20 DBED CCN(CC(=O)NC(C)C)C(=O)CN(CC#N)CC(=O)OC 362348099 DFKBXEMQSXMGNK-UHFFFAOYSA-N 312.370 -0.642 30 20 DBED C=C[C@H](C)NC(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 362368356 AMJFTDSCHAFCNR-VHSXEESVSA-N 303.384 -0.447 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N1CCO[C@@H](CC(=O)OC)C1 370164027 VQAMVEVWYFZUDZ-MNOVXSKESA-N 313.354 -0.349 30 20 DBED COCCNC(=O)CNC(=O)C(=O)Nc1cccc(C#N)c1 478936249 ZISNZDKTLNYEPE-UHFFFAOYSA-N 304.306 -0.624 30 20 DBED C#CCN1CCN(Cn2cc(S(=O)(=O)N(C)C)cn2)CC1 490669335 GSESJLHNWWHBGM-UHFFFAOYSA-N 311.411 -0.658 30 20 DBED C#CCNC(=O)CN1CCN(Cc2cn3cccnc3n2)CC1 491126630 QNVNJJLXKQTKJB-UHFFFAOYSA-N 312.377 -0.404 30 20 DBED C#C[C@H](CC)NC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C 491689114 GOJNNTFRINXGOB-SNVBAGLBSA-N 300.318 -0.226 30 20 DBED C#CCN1CCN(C(=O)CN2CCC(F)(F)[C@H](CO)C2)CC1 491750279 WEOKUMURBJUJLJ-ZDUSSCGKSA-N 315.364 -0.287 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCCC[C@H]2CCCN2)C1=O 515636042 ACJDMKSTFGWSBJ-LLVKDONJSA-N 322.365 -0.388 30 20 DBED COc1cc(C#N)ccc1NC(=O)C(=O)N(CCO)CCCO 525895501 QRCPIZFFWOXXPM-UHFFFAOYSA-N 321.333 -0.291 30 20 DBED Cc1cc(NC(=O)C(=O)N2C[C@H](C)O[C@@H](CO)C2)ncc1C#N 572057601 ODEIZCZXYDZARY-CMPLNLGQSA-N 318.333 -0.192 30 20 DBED COC[C@@H](NC(=O)C(=O)NC1CCN(CC#N)CC1)C1CC1 588128706 GZWFSVYHAKSSGK-CYBMUJFWSA-N 308.382 -0.368 30 20 DBED CN1C(=O)COc2cc(NC(=O)NCC(=O)NCC#N)ccc21 588299736 LPVWGETWRGRGHO-UHFFFAOYSA-N 317.305 -0.197 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1C[C@H](O)C[C@@H]1COC 593638479 ZVJFWBWWIBPDDW-VXGBXAGGSA-N 321.399 -0.825 30 20 DBED C[C@@H](C#N)N(C1CC1)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O 594727732 NTARAWOTTMYYBT-QMMMGPOBSA-N 312.351 -0.851 30 20 DBED N#Cc1ccc(N2CCC[C@@H]2C(=O)NC[C@@H](O)C(N)=O)cc1 597585248 IJXQVRUBBZVJEX-CHWSQXEVSA-N 302.334 -0.511 30 20 DBED C#CCNC(=O)[C@@H](C)OC(=O)CNC(=O)Cc1ccc(O)cc1 726823501 DANMDAMPBIAQJH-LLVKDONJSA-N 318.329 -0.268 30 20 DBED CN(CCS(C)(=O)=O)C(=O)C(=O)Nc1cccc(C#N)c1 728145006 QJYYRQZBIHHBPN-UHFFFAOYSA-N 309.347 0.000 30 20 DBED CCN(CC)CC(=O)N1CCN(CC(=O)NCCC#N)CC1 728930453 RQZVXWFQJLEFOS-UHFFFAOYSA-N 309.414 -0.498 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CCCCN2C)CC1 732286822 YGEZHFYDGKOCDF-CQSZACIVSA-N 306.410 -0.636 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCc2cc(CC)[nH]n2)C1=O 732790287 HPJCRYHZFQETAE-UHFFFAOYSA-N 319.321 -0.435 30 20 DBED CCc1cccc2c1NC(=O)C2=NNC(=S)NCC(N)=O 733076532 SBPRINIZAZNIOV-UHFFFAOYSA-N 305.363 -0.145 30 20 DBED N#CCN(C1CC1)S(=O)(=O)c1ccc(-c2nn[nH]n2)nc1 737692448 GQJVUILXTIXJAI-UHFFFAOYSA-N 305.323 -0.062 30 20 DBED CCN(C[C@H](C)C#N)C(=O)COC(=O)Cn1cc([C@@H](C)O)nn1 777109196 HDCZMRPWQIFQCI-GHMZBOCLSA-N 323.353 -0.117 30 20 DBED CNS(=O)(=O)CCC(=O)OCC(=O)N[C@@](C)(C#N)C1CC1 783190860 NJYSPZDBAHVUIK-LBPRGKRZSA-N 317.367 -0.723 30 20 DBED COCCN1CCN(Cn2nc(CC#N)n(C)c2=S)CC1=O 794638412 DTTDQIIMXLZARH-UHFFFAOYSA-N 324.410 -0.235 30 20 DBED CS(=O)(=O)CCS(=O)(=O)Oc1ccc(F)nc1C#N 808345383 XOQNZHBCUYWHGB-UHFFFAOYSA-N 308.312 -0.154 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCCN(CC)CC1)[C@@H]1CCCO1 809306363 PSCPYBCKPZTLCO-KBPBESRZSA-N 307.394 -0.162 30 20 DBED C#CCCCCNc1c(-c2nn[nH]n2)c(=O)n(C)c(=O)n1C 819693634 URSYLLCPKMJERD-UHFFFAOYSA-N 303.326 -0.521 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CC[C@H](OC)C2)CC1 825968627 XBJVVIRLSJVFST-KBPBESRZSA-N 307.394 -0.305 30 20 DBED N#C[C@H]1CN(C(=O)[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CCO1 826380655 ISOOUPZOVRSRBS-NWDGAFQWSA-N 314.305 -0.349 30 20 DBED C#CC[C@H](NC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)C(=O)OC 837949026 AHXSEOIAERNHOO-UWVGGRQHSA-N 318.395 -0.369 30 20 DBED C#CCCN1CCN([C@@H]2CCN(CCC(=O)OC)C2=O)CC1 851872315 BUUDRTRBBNSIIY-CQSZACIVSA-N 307.394 -0.209 30 20 DBED N#C[C@H]1CN(S(=O)(=O)N2CCC[C@H]2C2OCCO2)CCO1 907669915 HIDJPNMDFBUILR-QWRGUYRKSA-N 317.367 -0.707 30 20 DBED CN(C)CC#CCNC(=O)C1CCN(S(C)(=O)=O)CC1 913516615 YALVDXVFHOQSRJ-UHFFFAOYSA-N 301.412 -0.661 30 20 DBED CN(C)CC#CCNC(=O)c1ccc(=O)n(-c2cnn(C)c2)c1 913521031 IQYSEHNUYFIOAE-UHFFFAOYSA-N 313.361 -0.134 30 20 DBED O=C(NC[C@@H]1CN(C(=O)C#CC2CC2)CCO1)c1cc[nH]n1 944493126 UIQMKDLOWDSOCR-GFCCVEGCSA-N 302.334 -0.220 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)c2cnn(C)c2N)C1 944556739 MIZYPSKPJVIBKV-ZJUUUORDSA-N 320.353 -0.881 30 20 DBED N#Cc1cc(C(=O)N2CC[C@@H]3CN(C(=O)C(N)=O)CC[C@H]32)c[nH]1 946026477 XNVLBCMTXHHPAK-BXKDBHETSA-N 315.333 -0.565 30 20 DBED N#CCN1CCOC2(CCN(C(=O)CCn3cncn3)CC2)C1 949298832 SVGXUUPDRFUWTO-UHFFFAOYSA-N 318.381 -0.115 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H](NC(=O)c2c[nH]c(C(N)=O)c2)C1 951872158 HRKARLWYBICVCT-GXSJLCMTSA-N 317.349 -0.006 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@H]3CCN(C(=O)C(N)=O)[C@@H]3C2)[nH]1 953308731 DCEAQLCMLHLUDI-JOYOIKCWSA-N 315.333 -0.565 30 20 DBED C#Cc1ccc(C(=O)N2CC(N(C)C(=O)Cn3nccn3)C2)nc1 954373965 GHUYAIXLJIMAQW-UHFFFAOYSA-N 324.344 -0.363 30 20 DBED C[C@H](C#N)C(=O)N1CC(N(C)C(=O)c2ccn3nnnc3c2)C1 954953444 LMIPFAFVGBUWOF-SECBINFHSA-N 313.321 -0.433 30 20 DBED Cn1cnc2cncc(C(=O)NC[C@@H]3CN(CC#N)C[C@@H]3O)c21 958151063 DQOPLJFVWYDBLF-MFKMUULPSA-N 314.349 -0.486 30 20 DBED CC#CCN1C[C@H]2C(NC(=O)CN3CCCS3(=O)=O)[C@@H]2C1 960178928 CEJYFBYFLHEKCP-VXGBXAGGSA-N 311.407 -0.908 30 20 DBED N#CCN1C[C@@H]2C(NC(=O)Cn3nnc4c3CCCC4)[C@H]2C1 961786824 HAAWSLLFGXVANO-QWRGUYRKSA-N 300.366 -0.273 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]2CN(C(=O)C(N)=O)C[C@H]21 963847989 AOLDWFNWMFXQLX-LOWDOPEQSA-N 321.377 -0.488 30 20 DBED CC[C@H](C(=O)N1CCOC2(CN(C(=O)[C@@H](C)C#N)C2)C1)N(C)C 965418249 ZYLROGFZFGUEPC-QWHCGFSZSA-N 322.409 -0.074 30 20 DBED C#CCN1CC[C@H](C)[C@H](NC(=O)CN2CC(=O)N(C)C2=O)C1 968541062 XVZBKVMUUXVQSY-NWDGAFQWSA-N 306.366 -0.660 30 20 DBED C[C@@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)[C@H]1CNC(=O)N1)C2 969805069 IZPMCGQCIZAXPN-XWLWVQCSSA-N 305.338 -0.971 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)c2cc(C3CC3)[nH]n2)C1 970884084 TUHOSDYHEBRVSV-WQHBLYJGSA-N 317.349 -0.252 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@]2(CN(Cc3cnnn3C)CCO2)C1 972296885 FMAVUTUNDSNRQM-IUODEOHRSA-N 318.381 -0.222 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2[C@H](NC(=O)c3cnon3)[C@H]2C1 977038791 FNXWYBVXAJPBTH-CULRXLKQSA-N 318.333 -0.153 30 20 DBED C#CCCN1C[C@H](NC(=O)CN2CC(=O)NC2=O)C(C)(C)C1 977362777 LIFDUCSMLPFLOR-NSHDSACASA-N 306.366 -0.612 30 20 DBED C#CCN1C[C@@H]2C(CNC(=O)c3cnc4c(c3)nnn4C)[C@H]2C1 978489507 FGQPQZBVSRAAOD-CHWSQXEVSA-N 310.361 -0.096 30 20 DBED C#CCN1CCCN(C(=O)[C@@H]2CC(=O)N(CCOC)C2)CC1 981275584 BQEKAKGILSBDGW-CQSZACIVSA-N 307.394 -0.351 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@@H](NC(=O)c2cnn(C)n2)[C@@H](O)C1 991607049 WYVRCJQWWVPGST-PWSUYJOCSA-N 321.381 -0.281 30 20 DBED C=CCN1CC[C@@H](n2cc(CNC(=O)[C@H]3COC(=O)N3)nn2)C1 999982605 FXYMKTWOVSYXLW-VXGBXAGGSA-N 320.353 -0.565 30 20 DBED C=CCCn1cc(C(=O)N2CCC[C@H](N[C@H](C)C(N)=O)C2)nn1 1000430215 VWWZDHSOHPCBNT-NEPJUHHUSA-N 320.397 -0.078 30 20 DBED C=CCn1cc(C(=O)NCC2CN(C(=O)c3cc[nH]n3)C2)nn1 1001962050 XMWLPTHRMVXOGN-UHFFFAOYSA-N 315.337 -0.311 30 20 DBED O=C(NCC1CN(C(=O)C#CC2CC2)C1)C1CS(=O)(=O)C1 1002104455 RDKDJRRDRGDYHY-UHFFFAOYSA-N 310.375 -0.981 30 20 DBED C[C@H](C#N)C(=O)N1CC(CNC(=O)c2ccc(C(N)=O)nc2)C1 1002929686 QRDRPXQHSFTSAA-SECBINFHSA-N 315.333 -0.472 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)CC1 1012332958 PAKFMLUUTJQWDP-TUAOUCFPSA-N 306.366 -0.459 30 20 DBED Cn1ccc(CC(=O)NC2[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]23)n1 1013078498 KOHAHGKYOOBZHC-ZIAGYGMSSA-N 312.373 -0.051 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C(N)=O)[C@H]1C 1020531761 GXYYNXRYUQVVNO-USZNOCQGSA-N 309.366 -0.442 30 20 DBED C#CCCN1CCC[C@H](CNC(=O)[C@H]2CCS(=O)(=O)N2)C1 1023753676 LUCKXQGLDLRHHT-CHWSQXEVSA-N 313.423 -0.470 30 20 DBED C=CCn1cc(C(=O)N[C@@H](C)[C@H]2CCCN(CC(N)=O)C2)nn1 1025554505 FVBITYWPCHLYAM-RYUDHWBXSA-N 320.397 -0.220 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)c3cc(C)nn3C)C2)C1=O 1030139023 RUPGTSMGOYQBMK-CYBMUJFWSA-N 317.393 -0.071 30 20 DBED N#Cc1cc(C(=O)NC2CN(CC(=O)N3CCCC3)C2)c[nH]1 1030230325 DTTXENIVTFJWMH-UHFFFAOYSA-N 301.350 -0.077 30 20 DBED CS(=O)(=O)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C#N)c[nH]1 1032337715 HARCVRWPCVODTR-RYUDHWBXSA-N 322.390 -0.170 30 20 DBED N#CCN1CCO[C@H](CNC(=O)[C@H]2CCc3ncncc3C2)C1 1035391367 HPEZICGGDNDYKS-GXTWGEPZSA-N 315.377 -0.078 30 20 DBED N#Cc1c[nH]c(C(=O)N2CCC3(CC2)CN(CC(N)=O)C3)c1 1035679913 ZUPCWHVNSPZWRC-UHFFFAOYSA-N 301.350 -0.090 30 20 DBED O=C(C#CC1CC1)NC[C@]1(O)CCN(C(=O)[C@@H]2CCCO2)C1 1039677171 DXZWEAZEBWQEPQ-XJKSGUPXSA-N 306.362 -0.342 30 20 DBED Cc1ncc(CC(=O)NC[C@]2(O)CCN(C(=O)[C@@H](C)C#N)C2)o1 1040116337 YPIHTTUCJZSCRI-ZUZCIYMTSA-N 320.349 -0.235 30 20 DBED CC(C)C#CC(=O)N1CC[C@@](O)(CNC(=O)[C@@H](C)CC(N)=O)C1 1040474951 DEJSYLVVEGFKLQ-BLLLJJGKSA-N 323.393 -0.763 30 20 DBED C=CCCCC(=O)NC[C@]1(O)CCN(C(=O)[C@H]2CNC(=O)N2)C1 1040729499 QJXLAGPPERMBTK-IAQYHMDHSA-N 324.381 -0.896 30 20 DBED Cc1cc(C(=O)N2CC[C@@](O)(CNC(=O)[C@H](C)C#N)C2)ncn1 1040759603 BOVWOHKUAMOFQD-MEBBXXQBSA-N 317.349 -0.362 30 20 DBED Cc1ocnc1C(=O)N1CC[C@](O)(CNC(=O)[C@H](C)C#N)C1 1040759622 BXFNPRSZPCYPSL-OTYXRUKQSA-N 306.322 -0.164 30 20 DBED Cc1cnc(C(=O)NCC2(O)CN(C(=O)C#CC(C)C)C2)cn1 1041279301 AIDLCPMUZVKSKH-UHFFFAOYSA-N 316.361 -0.252 30 20 DBED Cc1cc(C(=O)NCC2(O)CN(C(=O)C#CC(C)C)C2)no1 1041369358 ZTQCPDGIIZKUGB-UHFFFAOYSA-N 305.334 -0.054 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)CCN(C)CC)C1 1042798988 HONFYWDDAXJDHA-UHFFFAOYSA-N 309.410 -0.179 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CO[C@H](C)C2)C1 1042801144 FEBVMSIFFYOBAC-OLZOCXBDSA-N 308.378 -0.096 30 20 DBED COCCCCC(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042959052 UVXUAVQCTSBCMR-UHFFFAOYSA-N 308.378 -0.094 30 20 DBED O=C(C#CC1CC1)NCC1(O)CN(C(=O)CCc2ccon2)C1 1042962879 ADKSPHVRUWREFH-UHFFFAOYSA-N 317.345 -0.290 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(O)(CNC(=O)c2cc[nH]c2)C1 1043384711 HVYZLXHKPYLDFX-CQSZACIVSA-N 307.350 -0.355 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)c2[nH]c(O)nc2C)C1 1043487388 YLYODPYZXISJDP-UHFFFAOYSA-N 320.349 -0.470 30 20 DBED C=CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)C[C@H](C)OC)C1 1043570609 JSWNHSPLIYQAEQ-NWDGAFQWSA-N 314.382 -0.308 30 20 DBED C=CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)c2[nH]cnc2C)C1 1043575360 KAIDAXZMEYNRJF-LLVKDONJSA-N 322.365 -0.388 30 20 DBED Cc1nn(CC(=O)N2CC[C@H](NCC#N)C[C@H]2C)c(=O)n1C 1044835912 HSLFZIKDWQONOP-PWSUYJOCSA-N 306.370 -0.617 30 20 DBED COCCC(C)(C)C(=O)N1CC(O)(CNC(=O)[C@H](C)C#N)C1 1045547173 WMUQQHHXCAYWDM-LLVKDONJSA-N 311.382 -0.102 30 20 DBED C#CCN1CC[C@@H](N2CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)C1 1046079667 ZNTJNIRWWFXXKH-KGLIPLIRSA-N 304.394 -0.883 30 20 DBED C#CCCN1C[C@H]2C[C@@H](NC(=O)c3nnc(O)nc3O)C[C@H]1C2 1047103884 HVOBJUFZDQVXJD-HBNTYKKESA-N 317.349 -0.111 30 20 DBED C=CCCN1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CCC(=O)NC2)C1 1047406980 VQACBUJVOBWSQN-IHRRRGAJSA-N 309.410 -0.018 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c(c2)nnn3C)C1 1047428335 GQKTZRJYLQOZDR-GJZGRUSLSA-N 313.361 -0.281 30 20 DBED C=C(C)CCC(=O)N(C)[C@H]1CN(C(=O)[C@H]2CCC(=O)N2)C[C@@H]1O 1048934664 GILVVVQRVZNBBC-AGIUHOORSA-N 323.393 -0.349 30 20 DBED CC(=O)CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)C#N)C1 1049388264 IBBXUTVYTVPRGI-DRZSPHRISA-N 309.366 -0.065 30 20 DBED C#CCCCC(=O)N1CC[C@@H]([C@H](C)NC(=O)Cn2cnnn2)C1 1050580916 MLUCNUMZCFMACP-QWHCGFSZSA-N 318.381 -0.170 30 20 DBED C=C(Cl)CN1CCOC[C@@H]1CNC(=O)[C@@H]1CNC(=O)N1 1051096556 RMRPRBHQANFXSJ-UWVGGRQHSA-N 302.762 -0.763 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)c1c(C)c[nH]c1CC(N)=O 1051127713 RFXGRXOFCITZPM-LBPRGKRZSA-N 318.377 -0.585 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)[C@H]3CCC(=O)N(C)C3)CO2)C1 1054017746 KSHSVJLHGXVXGC-KBPBESRZSA-N 319.405 -0.162 30 20 DBED C=CCn1cc(C(=O)N[C@@]2(CO)CCCN(C(=O)CC)C2)nn1 1055951564 UXADWSHRZBYIOP-HNNXBMFYSA-N 321.381 -0.043 30 20 DBED C#CCCCCCC(=O)N1CCC[C@](CO)(NC(=O)C(N)=O)C1 1056088771 IJDCAIOZFWCGFM-INIZCTEOSA-N 323.393 -0.475 30 20 DBED C[C@H](C(=O)NC1[C@H]2CN(c3nccnc3C#N)C[C@H]12)n1cncn1 1056168277 JGKRHRSLCAFHMD-VWYCJHECSA-N 324.348 -0.248 30 20 DBED N#Cc1ccc(N2C[C@H]3C(NC(=O)[C@@H]4CNC(=O)N4)[C@@H]3C2)nc1 1056392064 IYGBXYWJBBIGJO-MXWKQRLJSA-N 312.333 -0.815 30 20 DBED Cc1cc(C#N)nc(N[C@@H]2CCN(C(=O)Cn3ncnn3)C2)n1 1056706795 HYCWXQFXOQJRMT-SNVBAGLBSA-N 313.325 -0.644 30 20 DBED C#CCO[C@H](C)C(=O)N(CCO)CCNC(=O)CCSC 1057583221 KHMWGIYRSKRCAC-GFCCVEGCSA-N 316.423 -0.285 30 20 DBED N#Cc1nccnc1N1CC[C@@H](NC(=O)c2cncnc2O)C1 1058476595 ZDJNRZINUNQAIS-SECBINFHSA-N 311.305 -0.147 30 20 DBED C[C@@]1(C(=O)N[C@H]2CCN(c3ccc(C#N)nn3)C2)CNC(=O)C1 1058494172 LVLKKZOXWKLDMD-NHYWBVRUSA-N 314.349 -0.431 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)[C@H]1CCCCC(=O)N1 1058656641 HRKMBFUFRSWWHF-NWDGAFQWSA-N 324.381 -0.858 30 20 DBED CC(C)C#CC(=O)NC[C@H]1COCCN1C(=O)c1cnn(C)n1 1061565942 BYPPLWIEZDYSSK-LBPRGKRZSA-N 319.365 -0.568 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)c1ccnc(O)c1 1061847509 LOIUYMYCDDPKEI-PWSUYJOCSA-N 318.333 -0.096 30 20 DBED C=CCOCC(=O)NC[C@H]1CCCCN1C(=O)CNC(C)=O 1061976398 TUASFCNQTRWSQG-CYBMUJFWSA-N 311.382 -0.178 30 20 DBED CN(CCC1CCN(C(=O)C(N)=O)CC1)c1cnc(C#N)cn1 1063971805 ISWLALKVTYUENE-UHFFFAOYSA-N 316.365 -0.102 30 20 DBED Cc1cc(C#N)nc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)c2cnnn2C)n1 1064250720 JPGZVFJVIQANFC-CDMKHQONSA-N 324.348 -0.208 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)[C@H]2CC(=O)N(C)C2)CCC1 1064310880 SDYWYZKXFUUEKO-MNOVXSKESA-N 306.366 -0.221 30 20 DBED Cc1nn[nH]c1C(=O)N[C@H]1[C@H]2C[C@H]1N(c1ccnc(C#N)n1)C2 1064325203 VYUIMIWFHGTWNA-RWEMILLDSA-N 310.321 -0.218 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCO[C@@H](CNC(=O)c2cc[nH]n2)C1 1065095279 APQIRKBPKMJTMW-NHYWBVRUSA-N 322.365 -0.306 30 20 DBED C=C(C)CCC(=O)N1CCO[C@@H](CNC(=O)Cn2nccn2)C1 1065223916 HUXHUYRYBILVCY-ZDUSSCGKSA-N 321.381 -0.022 30 20 DBED C#CCCCC(=O)N1CCC[C@@H](NC(=O)Cn2cnnn2)CC1 1065830637 HNJSKJJSXCPMNJ-CYBMUJFWSA-N 318.381 -0.026 30 20 DBED C#CCOCCC(=O)N1CC2(C1)CN(C(=O)[C@@H](C)OC)CCO2 1068327732 UGAARIYZPRDUMV-CYBMUJFWSA-N 324.377 -0.499 30 20 DBED N#Cc1cnc(NC[C@H]2C[C@H](NC(=O)Cn3ncnn3)C2)cn1 1068530996 KYHZXRPCJYTCCP-MGCOHNPYSA-N 313.325 -0.658 30 20 DBED C[C@@H]1[C@H](Nc2cnc(C#N)cn2)CCN1C(=O)Cn1cnnn1 1068777333 RGWKSQCHVIYBKJ-MWLCHTKSSA-N 313.325 -0.564 30 20 DBED CC1(C)CN(C(=O)CC(N)=O)C[C@H]1Nc1nccnc1C#N 1069547091 DLWDSZHGXXFNAZ-SNVBAGLBSA-N 302.338 -0.127 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC[C@@]2(CCN(C(=O)C(N)=O)C2)C1 1069750805 KRCAIUYIFUINOX-MLGOLLRUSA-N 321.377 -0.649 30 20 DBED CC(C)(C)C#CC(=O)NCC1(NC(=O)C(N)=O)CCOCC1 1070227681 MOWFMCDQZNYBPR-UHFFFAOYSA-N 309.366 -0.697 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)CCn4ccnn4)C[C@@]3(C1)O2 1070793391 HIDZVCTWANUSTM-IIAWOOMASA-N 315.377 -0.397 30 20 DBED C=CCN1C[C@H]2C[C@H]3CN(C(=O)c4c[nH]c(=O)cn4)C[C@@]3(C1)O2 1070844560 GXJGZQDQTWHQIY-HWWQOWPSSA-N 316.361 -0.129 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)c2cnn(CC)c2)CC1 1070949367 ADKQOIHOWBHUDY-UHFFFAOYSA-N 317.393 -0.200 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)[C@@]23COC[C@@H]2C3)CC1 1070965438 BTEXAFFZAUJGDA-BBRMVZONSA-N 305.378 -0.693 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)[C@@H]2CCO[C@@H]2C)CC1 1071010432 KUKLYYZDUCKPSN-ZIAGYGMSSA-N 307.394 -0.305 30 20 DBED C=CCCN1CC[C@@]2(C1)CN(C(=O)Cn1cnnn1)C[C@H](C)O2 1071134183 OACFRBNBADEQMM-DZGCQCFKSA-N 320.397 -0.059 30 20 DBED C[C@H]1CN(C(=O)c2cnn(C)n2)C[C@]2(CCN(CC#N)C2)O1 1071221291 PDFZXDZZMUXGFU-SMDDNHRTSA-N 304.354 -0.356 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(C(=O)c2cnnn2C)C[C@@H]1C 1072003444 QNBBPZDBKOGGQT-NWDGAFQWSA-N 319.365 -0.568 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)CNC(=O)NC)C[C@H]1C 1072268533 OSJHGQFTBPZAND-GHMZBOCLSA-N 312.370 -0.919 30 20 DBED COc1coc(C(=O)NC[C@@H]2CN(CC#N)CCCO2)cc1=O 1073696010 AIIGPWDTRZJUPM-LLVKDONJSA-N 321.333 -0.007 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2CN(CC#N)CCCO2)nn1 1073807680 WJKVDZLGARWQET-GFCCVEGCSA-N 304.354 -0.192 30 20 DBED CCC(=O)N1CC[C@@H](C(=O)NC[C@H]2CN(CC#N)CCCO2)C1 1073848554 WJZDTNKPACYDNU-KGLIPLIRSA-N 322.409 -0.024 30 20 DBED C=CCOCC(=O)N1CC[C@H](NC(=O)c2cnn[nH]2)[C@H](C)C1 1074050241 YDDWIIBYQQJDAB-MNOVXSKESA-N 307.354 -0.026 30 20 DBED C#CCOCCC(=O)N1CC[C@@H]2CN(C(=O)C(N)=O)C[C@@H]2CC1 1074332913 LWAWSYRWNMHCHI-BETUJISGSA-N 321.377 -0.791 30 20 DBED C=CCOCC(=O)NCC[C@H](C)NC(=O)CN1CCOCC1 1075917647 CDMJZLNFQUNLEG-ZDUSSCGKSA-N 313.398 -0.468 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC[C@H](C)NC(=O)c1ncn(C)n1 1076300469 LAUCLZZWWMTLQO-IINYFYTJSA-N 309.370 -0.233 30 20 DBED C=CCOCC(=O)N[C@@H](C)CCNC(=O)C[C@H]1CCC(=O)N1 1077334421 HUDYACPSWMVFDJ-NWDGAFQWSA-N 311.382 -0.131 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCCS2(=O)=O)C1 1077451879 VXKKYPQXBKJFNA-YNEHKIRRSA-N 316.423 -0.309 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)c2cccnc2C(N)=O)C1 1078218427 XAOHTRVKCDCCLP-CHWSQXEVSA-N 318.377 -0.078 30 20 DBED CNC(=O)Nc1ccc(C(=O)N[C@@H]2CN(CC#N)C[C@H]2O)cc1 1078251326 HNZHEBIUUKJMMN-CHWSQXEVSA-N 317.349 -0.264 30 20 DBED C=C[C@@](C)(O)CC(=O)N(CC)C1CN(C(=O)c2ncn(C)n2)C1 1079684867 TXOHEPCOLHUMSU-OAHLLOKOSA-N 321.381 -0.185 30 20 DBED C=CCOCC(=O)N1CC(N(CC)C(=O)[C@H]2CCCC(=O)N2)C1 1079955692 JTBKDCWMHSUSFR-CYBMUJFWSA-N 323.393 -0.083 30 20 DBED CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 1080419590 BZUDXAOGATVTJD-YRGRVCCFSA-N 322.409 -0.076 30 20 DBED Cc1cc(C(=O)NC[C@H]2CN(C(=O)C#CC(C)C)C[C@H]2O)n[nH]1 1081308644 ZMPOJMHPCBTHOA-GXTWGEPZSA-N 318.377 -0.073 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1O 1081441244 GDNUXQDOEWCBCS-WCQYABFASA-N 319.365 -0.832 30 20 DBED CN(C)CCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C#CC(C)(C)C)C1 1081476777 KZILTTPUBBSJIQ-UONOGXRCSA-N 323.437 -0.077 30 20 DBED C=CC(C)(C)C(=O)NC[C@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1O 1081639761 CNIHRNOFPWDTLY-WDEREUQCSA-N 321.381 -0.424 30 20 DBED C#CCCN1C[C@@H](NC(=O)c2ccc(C(N)=O)o2)[C@H](OC)C1 1081923642 RZNFLUIFLIRDEU-ZWNOBZJWSA-N 305.334 -0.169 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)Cn2c(C)c(C)sc2=O)C1 1084090431 ZEOXKQGDIMNZPD-NEPJUHHUSA-N 309.391 -0.679 30 20 DBED C=CCN1CC[C@@H]2CN(C(=O)[C@@H]3CN(C(C)=O)CCO3)[C@@H]2C1 1084806344 KVAYEJCTTHFBRW-KFWWJZLASA-N 307.394 -0.048 30 20 DBED CCN(c1ccncc1C#N)[C@H](C)CNC(=O)Cn1ncnn1 1089698242 APEDCQNOJQRYTI-LLVKDONJSA-N 314.353 -0.029 30 20 DBED Cc1cc(C(=O)N[C@H]2CCN(CC#N)C[C@H]2O)ncc1C(N)=O 1090574371 RVXIIDHUSZWDBB-WCQYABFASA-N 317.349 -0.823 30 20 DBED CC#CCN1CC[C@H](NC(=O)Cn2nnnc2C(C)C)[C@@H](O)C1 1090633297 MQIAFQCIPLFUBV-STQMWFEESA-N 320.397 -0.629 30 20 DBED C=CCCN1CC[C@H](NC(=O)c2cccc(C(N)=O)n2)[C@H](O)C1 1090839325 KKYIULUWUFENKC-SMDDNHRTSA-N 318.377 -0.078 30 20 DBED CCOc1cnc(C(=O)N[C@H]2CCN(CC#N)C[C@@H]2O)cn1 1090856025 VCPUHHBHLOSJSN-JQWIXIFHSA-N 305.338 -0.436 30 20 DBED COCCCC(=O)N[C@H]1CCN(c2ccnc(C#N)n2)C[C@@H]1O 1092138303 UBOVDELSIOPOED-RYUDHWBXSA-N 319.365 -0.169 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@H]2CN(c3ncccc3C#N)C[C@H]12 1093267141 VQGHRXNKYIEZEM-STQMWFEESA-N 323.356 -0.356 30 20 DBED N#Cc1nccnc1NCCNC(=O)c1ccc(C(N)=O)nc1 1093699014 UTFVXPLTZAHOMG-UHFFFAOYSA-N 311.305 -0.316 30 20 DBED N#Cc1ccc(NCCNC(=O)[C@H]2CCCCN2C(N)=O)nn1 1093855939 IZLCQCMZPFGERO-LLVKDONJSA-N 317.353 -0.190 30 20 DBED N#Cc1nc(=NCCNC(=O)[C@@H]2CCC[C@@H](C(N)=O)C2)cc[nH]1 1093861611 CJQYIURMCFESDK-GHMZBOCLSA-N 316.365 -0.410 30 20 DBED N#Cc1cnc(NCCNC(=O)c2ccc3nnnn3c2)cn1 1093986567 WXQDYFXXHLZULV-UHFFFAOYSA-N 309.293 -0.372 30 20 DBED C[C@@H](C(=O)NCCNc1cnc(C#N)cn1)N1C(=O)CCC1=O 1094201508 HDICFOFPRFGFCF-VIFPVBQESA-N 316.321 -0.586 30 20 DBED N#Cc1c[nH]ccc1=NCCNC(=O)c1cn2c(n1)COCC2 1094229571 XBQBZJPLTSWBOU-UHFFFAOYSA-N 312.333 -0.056 30 20 DBED C#CCCN1CC(n2cc(CNC(=O)[C@H]3CCCO3)nn2)C1 1094272703 CTIZJUAALWUYGX-CQSZACIVSA-N 303.366 -0.047 30 20 DBED C=CCCN1CC(N2C[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)CC2=O)C1 1094786954 HLUZBCGPEKCOMR-UHTWSYAYSA-N 320.393 -0.915 30 20 DBED CC#CCN1CC(N2C[C@H](NC(=O)c3[nH]cnc3C)CC2=O)C1 1094826836 NRAQOWBTMGDEAE-GFCCVEGCSA-N 315.377 -0.244 30 20 DBED C[C@H](CC(N)=O)C(=O)N1CC[C@H](N(C)c2ccnc(C#N)n2)C1 1095150003 KXTCKLQNPRTCDG-MNOVXSKESA-N 316.365 -0.103 30 20 DBED CC(=O)N[C@H](C)C(=O)NC1CCN(c2cnc(C#N)cn2)CC1 1095387612 KZWRDGBYDKOHFN-SNVBAGLBSA-N 316.365 -0.042 30 20 DBED CCc1nc(C#N)cc(N2CC[C@H](NC(=O)CC(=O)NC)C2)n1 1096352150 KHQRFKWLVDMNFU-JTQLQIEISA-N 316.365 -0.258 30 20 DBED C[C@H](CC(=O)N[C@H]1CCN(c2cncc(C#N)n2)C1)NC(N)=O 1096432605 ZEBOWRAEUVODJH-ZJUUUORDSA-N 317.353 -0.510 30 20 DBED N#Cc1nccnc1N[C@@H](CNC(=O)Cn1nccn1)C1CC1 1096736815 WRESNWIMSIMEHI-LBPRGKRZSA-N 312.337 -0.053 30 20 DBED C#CCCN(CCO)C1CCN(C(=O)[C@H](COC)OC)CC1 1098472888 HBAHQVBTUWEUPI-HNNXBMFYSA-N 312.410 -0.044 30 20 DBED N#CCNCc1cn([C@@H]2CCN(C(=O)[C@H]3CCCO3)C2)nn1 1098604126 HTWVZSKFISGXBB-CHWSQXEVSA-N 304.354 -0.156 30 20 DBED N#CCNC(=O)CN1CC[C@@H](NC(=O)c2ccccc2)[C@H](O)C1 1099625164 XKKMNWCESQSBFE-ZIAGYGMSSA-N 316.361 -0.509 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2cncs2)[C@@H](O)C1 1099697751 DEEMTISHSYYBPT-NEPJUHHUSA-N 309.391 -0.042 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)/C=C(/C)C2CC2)[C@@H](O)C1 1099709787 NLCZGNXYNYTWEX-OGYKNIHVSA-N 319.405 -0.357 30 20 DBED CNC(=O)NCCC(=O)NCCN(C)c1ccc(C#N)nn1 1100058908 CLXOOYPKHURCPL-UHFFFAOYSA-N 305.342 -0.780 30 20 DBED CN(CCNC(=O)c1ccc(C(N)=O)o1)c1nccnc1C#N 1100412126 LNBYQLVTQSALLB-UHFFFAOYSA-N 314.305 -0.094 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)C(C)(C)N(C)CC)C1 1100459906 DUGDVUCGLASBPO-UHFFFAOYSA-N 322.453 -0.050 30 20 DBED C=CCNC(=O)[C@@H](C)NC1CC(CNC(=O)CCCC(N)=O)C1 1101072460 LYGZZMJOHQKOOB-PNESKVBLSA-N 324.425 -0.183 30 20 DBED CCCN(CCNC(=O)CNC(C)=O)c1cnc(C#N)cn1 1101078463 HSEMKXRYYOKZDE-UHFFFAOYSA-N 304.354 -0.183 30 20 DBED CC(=O)NCC(=O)N1CC[C@@H](CN(C)c2ccc(C#N)nn2)C1 1102425536 ZXIGPQVASDCYCE-LBPRGKRZSA-N 316.365 -0.231 30 20 DBED CC(C)(O)CC(=O)NC[C@H]1CN(c2nccnc2C#N)CCO1 1104308727 STQDYADVYCLXJC-NSHDSACASA-N 319.365 -0.169 30 20 DBED C[C@H](CNc1cncc(C#N)n1)N(C)C(=O)[C@H]1CCNC1=O 1104765967 AFHORMAETAGXDX-KOLCDFICSA-N 302.338 -0.257 30 20 DBED CC#CCNCc1cn(C2CN(C(=O)c3cnns3)C2)nn1 1105174092 ILEHVNKDPQBAOS-UHFFFAOYSA-N 317.378 -0.060 30 20 DBED CNC(=O)CNC[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C 1106015320 AFVYOALULXGRSQ-GHMZBOCLSA-N 303.366 -0.070 30 20 DBED COc1nc(C(=O)NC[C@@H](O)CNc2nccnc2C#N)co1 1106049252 FCDIVHNMQLTGSS-QMMMGPOBSA-N 318.293 -0.452 30 20 DBED C[C@H]1CCN(CC(=O)NC[C@H](O)CNc2ccc(C#N)nn2)C1 1106104052 GVFZZZYBOHASOJ-WCQYABFASA-N 318.381 -0.421 30 20 DBED N#Cc1nc(=NC[C@@H](O)CNC(=O)[C@@H](F)C(F)(F)F)cc[nH]1 1106142025 KCHNASUOYMLCGH-HZGVNTEJSA-N 321.234 -0.440 30 20 DBED CCN(CCNc1cncc(C#N)n1)C(=O)CCn1cnnn1 1106817842 KEMTVQZQSBVGFO-UHFFFAOYSA-N 315.341 -0.315 30 20 DBED C#CCNC(=O)CN1CCO[C@@](C)(CNC(=O)CC(C)C)C1 1107703106 VQESAOQYJQVKCH-INIZCTEOSA-N 309.410 -0.011 30 20 DBED C=CCN1CCO[C@](C)(CNC(=O)[C@@H](C)NC(=O)COC)C1 1107965198 SDYRRYMHTWIZAV-IUODEOHRSA-N 313.398 -0.469 30 20 DBED C[C@@H](CNc1nccnc1C#N)NC(=O)CCn1ccnn1 1108330394 VEQIDCROOIQVSR-JTQLQIEISA-N 300.326 -0.053 30 20 DBED C[C@@H](CS(C)(=O)=O)C(=O)NC[C@]1(C)CN(CC#N)CCO1 1108424882 UJUGWEOOYHFCCB-WCQYABFASA-N 317.411 -0.602 30 20 DBED C#CCCN1CCO[C@](C)(CNC(=O)[C@@H]2CCCN2C(N)=O)C1 1108439323 HICVVUDCKOUXDP-XJKSGUPXSA-N 322.409 -0.240 30 20 DBED C[C@@H](CNc1cnc(C#N)cn1)NC(=O)CCn1cnnn1 1108484220 UTZWPRIOBOCSIK-VIFPVBQESA-N 301.314 -0.658 30 20 DBED C#CCOCCC(=O)N[C@@H]1CC(=O)N(C2CN(CC#C)C2)C1 1108546214 QXAPNQVGZAUMDV-CYBMUJFWSA-N 303.362 -0.939 30 20 DBED C[C@H](CN(C)c1ccnc(C#N)n1)NC(=O)c1ncn(C)n1 1108933872 XPOKTOOTSUYEGV-SECBINFHSA-N 300.326 -0.269 30 20 DBED CN(CCCNc1cncc(C#N)n1)C(=O)[C@H]1COC(=O)N1 1109424602 MJMYBLXEXZBCOO-SNVBAGLBSA-N 304.310 -0.283 30 20 DBED CC(=O)NCC(=O)NC[C@]1(O)CCN(c2ccc(C#N)nc2)C1 1111038064 QXYOCABAUQFTBC-OAHLLOKOSA-N 317.349 -0.853 30 20 DBED N#Cc1nc(=NC[C@H]2CC[C@H](CNC(=O)C(N)=O)CC2)cc[nH]1 1111278069 VXBWUULKAXIJQO-XYPYZODXSA-N 316.365 -0.410 30 20 DBED CCNC(=O)CC(=O)N(CCO)CCN=c1cc[nH]cc1C#N 1111453364 ANUJSHBSBYHDPS-UHFFFAOYSA-N 319.365 -0.866 30 20 DBED C=CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CNC(=O)Cn1cncn1 1111454819 AXMULZUIUMFNHE-UPJWGTAASA-N 318.381 -0.698 30 20 DBED Cc1cc(C#N)nc(N[C@@H]2CN(C(=O)CNC(N)=O)C[C@@H]2C)n1 1112306188 AEFPFDYYPRGHDR-GZMMTYOYSA-N 317.353 -0.416 30 20 DBED COCCCC(=O)NC[C@H]1CN(c2nccnc2C#N)C[C@H]1O 1112705393 QSFCZZJYPTYTGK-WCQYABFASA-N 319.365 -0.312 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCC(=O)N1C)N(C)c1cnc(C#N)cn1 1113830579 WBPVLCQJUMUEKF-CMPLNLGQSA-N 316.365 -0.090 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)[C@@H]3CCCN3C)[C@@H]2C1 1114057332 KMBCNWDVWWAWSN-UPJWGTAASA-N 306.410 -0.571 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)c3cc(C)sn3)[C@@H]2C1 1114189537 QKKXCKWLNXPWBQ-GHMZBOCLSA-N 318.402 -0.139 30 20 DBED CC1(C)CN(c2ccc(C#N)nn2)C[C@H]1NC(=O)CNC(N)=O 1114423969 QIWLSOGBQXTYAH-SNVBAGLBSA-N 317.353 -0.652 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)Cc3[nH]cnc3C)[C@H]2C1 1115169129 AZHSOKRSSUGZNW-RYUDHWBXSA-N 315.377 -0.944 30 20 DBED N#Cc1cccc(NC(=O)C(=O)NCCN2C(=O)CNC2=O)c1 1116059348 UGALFGOWYFOWPK-UHFFFAOYSA-N 315.289 -0.835 30 20 DBED N#CCCCCN[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 1116345745 GGRWSSJTKAZTSS-STQMWFEESA-N 301.412 -0.232 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CC[C@@H](CN(C)C)C1)[C@H]1CCCO1 1116955188 LUFZIUYGIPTNAP-MELADBBJSA-N 307.394 -0.307 30 20 DBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N[C@H]1CCOC1 1117468219 VLQPOYBJLYVAKB-VIFPVBQESA-N 320.353 -0.840 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1C[C@@H](C)O[C@]2(CCOC2)C1 1117543498 GUIVOSZRIBJCTD-LALPHHSUSA-N 312.366 -0.290 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)NC1CC(F)(F)C1 1117583171 DZYJNTLIHBWUIN-UHFFFAOYSA-N 310.322 -0.383 30 20 DBED C[C@H](CN(C)C(=O)[C@H]1CCNC1=O)Nc1nccnc1C#N 1120406571 DBQSVXLQQOPABM-ZJUUUORDSA-N 302.338 -0.257 30 20 DBED Cn1nccc1CC(=O)NC[C@H](CO)Nc1ccc(C#N)nc1 1121412210 LPHBKVZIBDJPIL-CYBMUJFWSA-N 314.349 -0.182 30 20 DBED N#Cc1nccnc1N[C@@H](CO)CNC(=O)CCc1ncc[nH]1 1121496517 HRAUEXIQJVITCM-SNVBAGLBSA-N 315.337 -0.407 30 20 DBED CN1CC[C@H](C(=O)NC[C@@H](CO)Nc2cnc(C#N)cn2)C1 1121588497 BFGRESXXKXEDGZ-JQWIXIFHSA-N 304.354 -0.811 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H](CO)Nc1cc(OCC)ncn1 1122035203 FZTMCGRLSWOUKT-VXGBXAGGSA-N 322.365 -0.197 30 20 DBED Cc1cncn1CC(=O)NC[C@H](CO)N=c1cc[nH]cc1C#N 1122241153 ZUIMCEVTMMWCIV-CYBMUJFWSA-N 314.349 -0.531 30 20 DBED N#Cc1nc(=N[C@H](CO)CNC(=O)CCc2cn[nH]c2)cc[nH]1 1122704665 NURYEKCOIUCLEP-NSHDSACASA-N 315.337 -0.985 30 20 DBED CO[C@@H](C)CC(=O)N(C)C[C@@H](O)CN=c1cc[nH]c(C#N)n1 1124148790 FELXJTUTLBJDHP-QWRGUYRKSA-N 307.354 -0.574 30 20 DBED CN(C[C@@H](O)CNc1cnc(C#N)cn1)C(=O)C1=CCOCC1 1124257074 PPUOUHWODOGMPC-ZDUSSCGKSA-N 317.349 -0.074 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)c1cnc(C)[nH]1 1124819223 PYMSIVZQAHGRPE-UHFFFAOYSA-N 306.370 -0.200 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@H]1C[C@@H]2CCCCN2C1 1127257007 UVQOOASEXBBHRI-KBPBESRZSA-N 306.410 -0.684 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@@H](C)Cn1ccc(C)n1 1128194639 MDTSDNKLDSCORY-LBPRGKRZSA-N 305.382 -0.717 30 20 DBED C=C(C)[C@H](CC(=O)NCCN[C@H]1CCC(=O)NC1=O)OCC 1128528654 QUXODZBKCRKSRV-RYUDHWBXSA-N 311.382 -0.131 30 20 DBED CC[C@@H](C)OCC(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1 1128897643 LQLXASUAKFNNIK-UPJWGTAASA-N 306.370 -0.042 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@H]1CCN(CC(C)C)C1 1129341379 TYAQHZGRFJCQBJ-AWEZNQCLSA-N 310.442 -0.028 30 20 DBED C#CCCN[C@@H]1CN(C(=O)[C@@H](C)OCC#C)C[C@@H]1n1ccnn1 1129829601 KDANFDVBQASOMJ-KFWWJZLASA-N 315.377 -0.319 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)Cc2ccc(O)nc2)C1=O 1131453259 IGDXTEXXRWQMJK-ZDUSSCGKSA-N 318.377 -0.178 30 20 DBED C#CCNC(=O)CN1C[C@H](NC(=O)c2cnon2)CC[C@@H]1C 1132369529 YLQQKDSHTGHLFA-WDEREUQCSA-N 305.338 -0.598 30 20 DBED Cc1ncc2n1C[C@@H](C(=O)NCCNCC(=O)NCC#N)CC2 1133005186 XYIFHWHHCAXPPT-LBPRGKRZSA-N 318.381 -0.901 30 20 DBED CC#CCN[C@H](C)C[C@@H](C)NC(=O)c1cn(CC(N)=O)nn1 1146583351 KGWPSGQBRNJWRG-GHMZBOCLSA-N 306.370 -0.727 30 20 DBED C#CCCN1CCC2(C1)CN(C(=O)[C@H](C)NS(C)(=O)=O)C2 1148352014 XOXMHGLOLMXFDY-LBPRGKRZSA-N 313.423 -0.518 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)[C@@H]1CCN(C)C1)C2 1148747944 FIYIUENEWOALSF-CQSZACIVSA-N 318.421 -0.778 30 20 DBED CC[C@H](F)C(=O)NC[C@@H]1CN(CC(=O)NCC#N)CCCO1 1150149350 QLNKYDFBCWCLMF-NEPJUHHUSA-N 314.361 -0.419 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)c1cnsn1 1152153883 PPBJTPJOCLDNSO-SNVBAGLBSA-N 309.395 -0.272 30 20 DBED C[C@H](C#N)C(=O)NCCCNCC(=O)N(C)Cc1cnn(C)c1 1155849434 YEXLYMGRADJVGM-GFCCVEGCSA-N 320.397 -0.366 30 20 DBED C=CCNC(=O)CNCCCNC(=O)CCCS(C)(=O)=O 1168212112 SOTWVWOJOBJODU-UHFFFAOYSA-N 319.427 -0.791 30 20 DBED C#CCNC[C@H]1C[C@H]2CC[C@H]1N(C(=O)Cn1cnnc1O)C2 1177706042 MPBKMMDXXINRLI-JHJVBQTASA-N 303.366 -0.166 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)Cc2cnn(C)c2)[C@H]1C 1178292123 YHSHBJAKLKVZGA-JSGCOSHPSA-N 317.393 -0.709 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@@H](NCCNC(=O)NC(C)C)C1 1182504529 FPYHCBCRCQXZQW-UONOGXRCSA-N 324.425 -0.077 30 20 DBED C=CCOCCNC[C@@H]1CCN(C(=O)Cn2cnnn2)C[C@H]1C 1183851557 XWEUJUPOMKWCNL-KGLIPLIRSA-N 322.413 -0.050 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)c2c[nH]c(C(N)=O)c2)C1 1187860050 MYKQGOVYKHZRMR-GFCCVEGCSA-N 304.350 -0.433 30 20 DBED C=CCOCC(=O)N1CC[C@H](N(C)C[C@@H](O)Cn2cccn2)C1 1189372349 XFFQUQMTWDAWCS-LSDHHAIUSA-N 322.409 -0.021 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)Cc2cnoc2)C1 1191923493 WWPHBNQSLRIHJR-CYBMUJFWSA-N 304.350 -0.501 30 20 DBED C#CCN(C)[C@H]1CCN(C(=O)[C@@H](NS(C)(=O)=O)C(C)C)C1 1192735432 MAPWIDGGVLUYKD-STQMWFEESA-N 315.439 -0.274 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(Cc2nc(N(C)C)no2)C[C@H]1O 1192751980 PARQIQOWHCMOMZ-VXGBXAGGSA-N 321.381 -0.544 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)Cc2ccc(O)nc2)C1 1194770529 VWOFEGFOYKCXTR-ZIAGYGMSSA-N 319.361 -0.859 30 20 DBED CC#CCCCC(=O)N[C@@H]1CN(Cc2n[nH]c(C)n2)C[C@H]1O 1195473279 MTSJLJIWMWQUAV-CHWSQXEVSA-N 305.382 -0.032 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)CNC(=O)CCC(C)C)C1 1196985516 IKTXXRUMCFWHQW-ZIAGYGMSSA-N 309.410 -0.277 30 20 DBED C=CCCCN1C[C@@H](O)[C@H](NC(=O)c2cccc(C(N)=O)n2)C1 1199210093 CLXRXNCMKRQUFB-ZIAGYGMSSA-N 318.377 -0.078 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)c2cocn2)CC1 1204765691 LNTWMQZQWJKKFZ-UHFFFAOYSA-N 304.350 -0.134 30 20 DBED C#CCN[C@H]1C[C@H]2CC[C@H]1N(C(=O)COCc1nncn1C)C2 1204844341 CIPGQTLAODWQTO-HZSPNIEDSA-N 317.393 -0.066 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2cc[n+]([O-])cc2)[C@H](C)C1 1205822353 JEOFNUGQHFGEPH-TZMCWYRMSA-N 316.361 -0.881 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)c2cccn2C)C1 1207327511 ASDUYTRREUYCOC-ZDUSSCGKSA-N 302.378 -0.031 30 20 DBED CC[C@H](C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C)N(C)C 1207703204 RFQPJPBCBJNAFD-JHJVBQTASA-N 309.414 -0.597 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)c2ccn(C)n2)C1 1211071151 HMEJCFJQHNYWFR-LBPRGKRZSA-N 303.366 -0.636 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(C[C@@H]2CCOC2)C[C@H]1OC 1212257446 BWPLTZOWYUALDL-RRFJBIMHSA-N 310.394 -0.122 30 20 DBED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)CCC(F)F 1213175327 MUSRPFWVGPJTDT-NXEZZACHSA-N 318.324 -0.513 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN([C@H](C)C(=O)NC)C[C@H]1OC 1213964082 OZEUTCVPVWAHSL-JHJVBQTASA-N 313.398 -0.471 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@H](OC)C2CCC2)C[C@H]1C 1215249693 SRVJVYCKGXVHCZ-XNRPHZJLSA-N 321.421 -0.013 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@H](Cc2cnc[nH]2)NC(C)=O)C[C@H]1C 1215447179 XDSZHCMNVLQDAY-BYCMXARLSA-N 317.393 -0.473 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)N1C[C@@H](NCC(N)=O)[C@H](C)C1 1215803243 VYEBFWXYVZTABA-RAIGVLPGSA-N 310.398 -0.621 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(CC(=O)N(CC)CC)C[C@@H]1O 1219361708 AIZDOLBECQGWRD-OLZOCXBDSA-N 313.398 -0.781 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)CS(=O)(=O)CC(C)C)C1 1219892014 OROAABMZAUYBDZ-OLZOCXBDSA-N 318.439 -0.205 30 20 DBED CC#CCN1CCC(CNC(=O)Cn2cnc(C(N)=O)n2)CC1 1223259010 LSNNFUYRASHRRF-UHFFFAOYSA-N 318.381 -0.772 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)Cc1ccon1 1231395769 NHGGONCSJWEOOO-ZDUSSCGKSA-N 304.350 -0.501 30 20 DBED CN(C[C@@H]1CCN1CC(=O)NC(N)=O)C(=O)c1ccc(C#N)[nH]1 1233695323 RJDFYPJJEPHKLM-JTQLQIEISA-N 318.337 -0.772 30 20 DBED C#CCCCNC(=O)C(=O)N1CCN(C(=O)N2CCCC2)CC1 1259926291 SNAHJRNXIGJOAT-UHFFFAOYSA-N 320.393 -0.124 30 20 DBED CC(C)(O)C(C)(C)CNC(=O)C(=O)N1CC[C@](O)(CC#N)C1 1261474210 ZJQWJYSDZJXFER-OAHLLOKOSA-N 311.382 -0.223 30 20 DBED C=CCNC(=O)Cn1nnnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1262409669 HDTYVHHGERYSRT-BXUZGUMPSA-N 322.369 -0.641 30 20 DBED CN1CCCC[C@H]1C(=O)N[C@H]1C[C@H](NCC(=O)NCC#N)C1 1266612441 RUXWNIXCQCYVIG-AVGNSLFASA-N 307.398 -0.653 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)c2c[nH]c(C(N)=O)c2)C1 1317067866 HFTQRVDMLIIMMH-NSHDSACASA-N 319.365 -0.780 30 20 DBED COCCCN(CC(=O)NCCC#N)[C@@H]1CCS(=O)(=O)C1 1319387057 XJVRVWRGYQNEOR-GFCCVEGCSA-N 317.411 -0.458 30 20 DBED C#CCC[C@@H](O)CNC(=O)C1CCC2(CC1)NC(=O)NC2=O 1322589320 RNHCMCCRIRIGDZ-LOIXOFCESA-N 307.350 -0.355 30 20 DBED CCCN1CCC(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)CC1 1322920381 RPMYEHZIRRIUKO-ZDUSSCGKSA-N 308.382 -0.272 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)NC[C@H]1CCCCS1(=O)=O 1323819065 DCMFSEVZKFNBGK-GHMZBOCLSA-N 318.395 -0.613 30 20 DBED CN1C[C@@H]2CCCN(C(=O)C(=O)N3CCO[C@@H](C#N)C3)[C@@H]2C1 1328041407 KLWLNSCSBJDLIH-RWMBFGLXSA-N 306.366 -0.710 30 20 DBED CCCN1CC[C@@H](NC(=O)C(=O)N2CC[C@](O)(CC#N)C2)C1 1328583146 IHDWXOHSENNJKZ-IUODEOHRSA-N 308.382 -0.536 30 20 DBED CC(C)NC1CCN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)CC1 1329452422 AAYDXCCPZSTZMR-INIZCTEOSA-N 322.409 -0.148 30 20 DBED N#CCCC[C@H](N)C(=O)N1CCC[C@@H](C(=O)N2CCNCC2)C1 1329465600 PVPSPAAUCOKSTR-KGLIPLIRSA-N 321.425 -0.322 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N1CCCN(C(=O)CC)CC1 1329617716 FSOVDKKUODWKIV-LBPRGKRZSA-N 311.382 -0.226 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@H]1CCN(CC)C1=O)[C@H]1CCCO1 1331029580 LSIDLILIEFGEAA-SDDRHHMPSA-N 307.350 -0.980 30 20 DBED COc1ccc(CN(C)C(=O)C(=O)N2CCO[C@@H](C#N)C2)cn1 1333382300 QHTFMQRKDQBABJ-LBPRGKRZSA-N 318.333 -0.200 30 20 DBED COCC#CC(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1333883799 DHQQVQRKYBYOAZ-QWHCGFSZSA-N 315.391 -0.169 30 20 DBED C#CCCCS(=O)(=O)NCCN/C(O)=C1/N=CC=CC1=O 1344337010 JNGAGYXWSNDWHV-SEYXRHQNSA-N 311.363 -0.154 30 20 DBED N#CCN1CCC(NC(=O)C(=O)N2CC[C@@H]3OCC[C@@H]3C2)CC1 1345858031 NITFDCYTLBKZIC-OCCSQVGLSA-N 320.393 -0.272 30 20 DBED C[C@H](CO)[C@H]1CCCCN1C(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1350278028 DMKQDGOJQUGQNG-IOASZLSFSA-N 323.393 -0.127 30 20 DBED COCCN(Cc1ccc(C#N)cc1)C(=O)Cn1nnc(N)n1 1361738291 IVLBTZHYARBMKZ-UHFFFAOYSA-N 315.337 -0.198 30 20 DBED CC(C)[C@H]1CN(C(=O)Cn2cc(C#N)c(O)nc2=O)CCO1 1362556637 SAVMTVUJXPPDOY-LLVKDONJSA-N 306.322 -0.296 30 20 DBED C[C@@H](Cc1ccccn1)NC(=O)Cn1cc(C#N)c(O)nc1=O 1363464240 TZJGSUFKRQYWKJ-JTQLQIEISA-N 313.317 -0.037 30 20 DBED Cn1c(=O)[nH]c(N2CCC3(CC2)CNC(=O)C3)c(C#N)c1=O 1364540609 CCWBALRVCINXAN-UHFFFAOYSA-N 303.322 -0.948 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)c2ccn(C)c(=O)c2)C1 1372574888 MQZTYEGAGPWJKE-YUSALJHKSA-N 302.334 -0.078 30 20 DBED Cn1ccc(C(=O)NC[C@@H](O)CNC(=O)c2ccc(C#N)[nH]2)c1 1389083851 AESBMKOBVFRLGT-GFCCVEGCSA-N 315.333 -0.254 30 20 DBED C=C(Cl)CNC[C@H](C)CNC(=O)c1cn(CC(N)=O)nn1 1391970323 ZTPWISAGHRVONM-QMMMGPOBSA-N 314.777 -0.529 30 20 DBED COCCN(CCNC(=O)[C@H](C)C#N)C(=O)[C@H](C)n1cncn1 1396173470 OBKGLAGJMKFWSW-NEPJUHHUSA-N 322.369 -0.410 30 20 DBED C[C@H](C#N)C(=O)NC1CN(C(=O)C[C@@H]2CCS(=O)(=O)C2)C1 1398692722 PKLOIHNKCMMGSZ-ZJUUUORDSA-N 313.379 -0.702 30 20 DBED C[C@@H](C#N)C(=O)NC1CN(CC(=O)N(C)CC(F)(F)F)C1 1404740652 GBQFFPRWABJPNL-QMMMGPOBSA-N 306.288 -0.033 30 20 DBED CCC(=O)NCC(=O)N1CC[C@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]21 1413934917 MASDWBJAADSBBN-SDDRHHMPSA-N 306.366 -0.268 30 20 DBED CC(=O)NCC(=O)N[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 1414927400 WWYRHTOLCWKWMV-NSHDSACASA-N 303.322 -0.647 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H]1CNC(=O)CN1CCOCC1 1415748978 ORHXFAIJNDSRNY-OLZOCXBDSA-N 308.382 -0.415 30 20 DBED C[C@H](C#N)C(=O)NCC1CN(C(=O)C[C@@H]2CCC(=O)N2C)C1 1416121116 RNFKCKTVYDBLBL-PWSUYJOCSA-N 306.366 -0.268 30 20 DBED N#Cc1cc(C(=O)NC[C@@H](O)CNC(=O)[C@@H]2CCCO2)c[nH]1 1416726959 YBHKZJMZCSZOIO-NEPJUHHUSA-N 306.322 -0.728 30 20 DBED CC[C@]1(O)CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)C1 1417723726 XSXNJLKKAHOCST-AWEZNQCLSA-N 306.322 -0.416 30 20 DBED C=C(Cl)CNC[C@@H](O)CNC(=O)c1cnc(OC)nc1 1420197463 MYNHWUIRJJZCLH-SNVBAGLBSA-N 300.746 -0.082 30 20 DBED CCN(CCNC(=O)[C@@H](C)C#N)Cc1cc(=O)n(C)c(=O)n1C 1420370517 RBIBBXJCSFLCHO-NSHDSACASA-N 321.381 -0.818 30 20 DBED CC(C)[C@@H](CNC(=O)c1cc(=O)n(C)cn1)NC(=O)[C@@H](C)C#N 1431270373 QOLMFRLXWZSLLC-CMPLNLGQSA-N 319.365 -0.189 30 20 DBED C[C@H](C#N)C(=O)N1CC(CNC(=O)C[C@@H]2CCC(=O)NC2)C1 1432431165 VLGSNOGIAFMZEZ-MNOVXSKESA-N 306.366 -0.363 30 20 DBED N#Cc1ncn(CC(=O)N2CCC(N3CCNC3=O)CC2)n1 1433621132 QEWVDCFUQYWLJW-UHFFFAOYSA-N 303.326 -0.834 30 20 DBED C[C@@H](NC(=O)CCn1cc(C#N)c(O)nc1=O)[C@H]1CCOC1 1433950441 RRJUMDYGJYCMEN-ZJUUUORDSA-N 306.322 -0.248 30 20 DBED C=C(Cl)CNC[C@H](O)CNC(=O)c1nccnc1C(N)=O 1439047980 SWCJXODPBOCJMC-QMMMGPOBSA-N 313.745 -0.992 30 20 DBED CC(=O)N1CC(C(=O)N2CC[C@H](N(C)C(=O)[C@@H](C)C#N)C2)C1 1453646457 XKWALLYIBIWMCI-GWCFXTLKSA-N 306.366 -0.316 30 20 DBED COCC(=O)NCCC(=O)N1CCC[C@@H]1CNC(=O)[C@@H](C)C#N 1455765630 URNUECSPHJGNLJ-NWDGAFQWSA-N 324.381 -0.594 30 20 DBED CC[C@@H](OC)C(=O)NC[C@H](O)CNC(=O)c1ccc(C#N)[nH]1 1457945441 XIMUXGLSECWKPL-ZYHUDNBSSA-N 308.338 -0.482 30 20 DBED COc1ncc(NC(=O)CNS(=O)(=O)N(C)C)cc1C#N 1471781915 TWGPKNGFIPBFFO-UHFFFAOYSA-N 313.339 -0.704 30 20 DBED Cn1c(=O)[nH]c(N[C@H]2CCO[C@@]3(CCOC3)C2)c(C#N)c1=O 1472744440 RDLVVFRILYBUTG-XPTSAGLGSA-N 306.322 -0.305 30 20 DBED C#CCN(C)c1nnc([C@@H]2COCCN2)n1C[C@@H](C)N(C)C 1574615040 RLIIKTCFIZIEMQ-OLZOCXBDSA-N 306.414 -0.042 30 20 DBED C=CCn1cc(C(=O)N(C)[C@@H]2CCN(Cc3cnn[nH]3)C2)nn1 1575112507 UAKKYMGADHWMDW-GFCCVEGCSA-N 316.369 -0.071 30 20 DBED C#CCN(C(=O)c1cnc(C(=O)O)cn1)[C@@H]1CCS(=O)(=O)C1 1588396448 ZIYIUMUWMYLKII-SECBINFHSA-N 323.330 -0.563 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)N(CCC(=O)OC)CC(=O)O 1588442994 WUQKKSGEIUAZFH-NSHDSACASA-N 314.338 -0.066 30 20 DBED C=C(CN(C)C)C(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)O 1588636611 NFELKGIUVOKJAD-JTQLQIEISA-N 304.368 -0.796 30 20 DBED C=CCCC[C@@H](NC(=O)CN(C)S(=O)(=O)N(C)C)C(=O)O 1588788622 IKZLGPFOQQUXET-SNVBAGLBSA-N 321.399 -0.350 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N[C@]1(CC(=O)O)CCOC1 1589330481 GTHYFWYVYBLCBD-ONGXEEELSA-N 305.356 -0.454 30 20 DBED CN1C(=O)CC[C@@H]1C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[nH]1 1591163686 QYULTUHZGQHFNI-ZCFIWIBFSA-N 301.270 -0.979 30 20 DBED COC(=O)C(C)(C)C(=O)Cn1c(N)nc(C#N)c1-c1nn[nH]n1 1591226362 VRSMXJWKCJNSAU-UHFFFAOYSA-N 318.297 -0.715 30 20 DBED Cn1cnnc1CNS(=O)(=O)c1ccc(C#N)cc1C(=O)O 1600996226 SHQDGWNXZKPUJT-UHFFFAOYSA-N 321.318 -0.137 30 20 DBED C#CC[C@@H](COC)NC(=O)C1(C(=O)O)CCS(=O)(=O)CC1 1602674750 CHUDOLOYDXECNU-JTQLQIEISA-N 317.363 -0.580 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)O 1602940469 XUBTVQFHTFCZSY-BBBLOLIVSA-N 303.336 -0.712 30 20 DBED N#C[C@]12CN(C(=O)[C@@H](C(=O)O)C3CC3)C[C@H]1CS(=O)(=O)C2 1605590395 CVSJMMISRIKMAG-OUJBWJOFSA-N 312.347 -0.506 30 20 DBED COCC#CCN1CCC[C@@H]1CNC(=O)CNC(=O)C1CC1 1753098779 OXMYNSBNOBLACN-CQSZACIVSA-N 307.394 -0.257 30 20 DBED C=CCC[C@@H](C)N1CC[C@@H](NC(=O)C[C@H](NC(C)=O)C(N)=O)C1 1753428968 LHFMPLAOZLPXIA-BNOWGMLFSA-N 324.425 -0.088 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC/C=C\CN[C@H](CC)C(N)=O 1754132885 AHTVMBNPMCKABR-QJTIAFMVSA-N 306.410 -0.390 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@](C)(NC(=O)CNC(=O)OC)C1 1754666710 DVBOSKPWRKCVSR-NHYWBVRUSA-N 324.381 -0.939 30 20 DBED C=CCN1CCC[C@@](CO)(NC(=O)c2nc3ncccn3n2)C1 1754859533 YXXNPSCDILHKDM-OAHLLOKOSA-N 316.365 -0.133 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)[C@@H](CC(=C)C)NC(C)=O 1754972123 FKWLDYWNAAQWNR-HUUCEWRRSA-N 307.394 -0.093 30 20 DBED C#CCOCCC(=O)N1CCC[C@](CO)(NCc2cnon2)C1 1755083395 QJCXQJXXXNVNDS-HNNXBMFYSA-N 322.365 -0.447 30 20 DBED COCC#CCN1CCC(CO)(NC(=O)c2n[nH]cc2F)CC1 1755179709 KDFGASLYZSLGHJ-UHFFFAOYSA-N 324.356 -0.245 30 20 DBED Cc1ncc2n1CC[C@@H](C(=O)N(C)C[C@H](O)CNCC#N)C2 1755788240 OVWODXREJFNYHK-TZMCWYRMSA-N 305.382 -0.314 30 20 DBED C#CCOCCC(=O)N1CC([C@H](C)NC(=O)[C@@H]2CCNC2=O)C1 1756152571 SWNUXCGFDFBLLO-WCQYABFASA-N 321.377 -0.875 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@H](CO)NC(=O)c1n[nH]c(C)c1C 1756515961 SDXYLNHKRTZJPN-XHDPSFHLSA-N 324.381 -0.439 30 20 DBED C#Cc1ccc(C(=O)NC[C@H](CO)NC(=O)c2cocn2)nc1 1756538554 QDRWQJDGNHBTNE-LLVKDONJSA-N 314.301 -0.428 30 20 DBED C#CCC1(C(=O)N2CCCO[C@H](CNC(=O)C(N)=O)C2)CCC1 1756843612 PDFOGHBJAZMRTR-GFCCVEGCSA-N 321.377 -0.601 30 20 DBED C#CCCCCC(=O)N[C@@H]1CN(C(=O)c2cncn2C)C[C@H]1O 1756991101 XOCJQPNOKCDOIG-TZMCWYRMSA-N 318.377 -0.085 30 20 DBED N#CC1(C(=O)OCCN2CCCS2(=O)=O)CCOCC1 1771628099 RQLFNTJESPDCTK-UHFFFAOYSA-N 302.352 -0.115 30 20 DBED CCN(CCC#N)S(=O)(=O)N1C[C@H](OC)C[C@@H](C(=O)O)C1 1776863610 FZXQQAFWFBPAEI-GHMZBOCLSA-N 319.383 -0.112 30 20 DBED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnnn3C)C[C@@H]21 1790788953 VDUHNHVVLVQYAX-GVXVVHGQSA-N 317.349 -0.958 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)=O 1795057345 IQCXFPFEZCCYJZ-YIYPIFLZSA-N 322.361 -0.797 30 20 DBED C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)C 1795186162 BVYLLIANXCQCEU-KQXIARHKSA-N 315.439 -0.544 30 20 DBED O=C(O)C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H]1CCOC1)C2 1801991382 JETOFNDOPDYTMN-RVMXOQNASA-N 320.345 -0.251 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)CCC(N)=O)C2 1841603645 YYTOMJXDRDNMGK-LBPRGKRZSA-N 321.377 -0.506 30 20 DBED N#Cc1ccccc1CS(=O)(=O)N1C[C@H](O)C[C@H]1C(=O)O 21801837 QFHFUCFSDBSHGA-NEPJUHHUSA-N 310.331 -0.092 30 20 DBED C#CCOCCC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 159803123 SUMQKNHNBCSCCR-CQSZACIVSA-N 307.394 -0.209 30 20 DBED COC[C@H](C)N/C(N)=N/CCNS(=O)(=O)c1cccs1 160488881 YUWVFAWKQNRRQT-VIFPVBQESA-N 320.440 -0.034 30 20 DBED C=CCNC(=O)CNC(=O)N[C@H]1CCN(CC(F)(F)F)C1=O 180693024 YUTDTQRQFLSSIL-QMMMGPOBSA-N 322.287 -0.249 30 20 DBED C/N=C(/NCCN1CCOCC1)NCc1ccc(C(N)=O)cc1 264967628 CVIRCZIDMBVUCZ-UHFFFAOYSA-N 319.409 -0.217 30 20 DBED N#Cc1c(N2CCN3C(=O)C(=O)NC[C@H]3C2)nc2ccccn12 272874795 DWPZWGFPPZKICL-JTQLQIEISA-N 310.317 -0.647 30 20 DBED Cn1c(N2CC[C@@H](n3cccn3)C2)c(C#N)c(=O)n(C)c1=O 292385206 QKRHYRVPPUXHQI-SNVBAGLBSA-N 300.322 -0.396 30 20 DBED Cn1cc(N2CC[C@H](/N=C(/O)Cn3cnnc3O)C2=O)cn1 329644253 AMXATVOFXNMKPJ-VIFPVBQESA-N 305.298 -0.521 30 20 DBED C[C@H](O)C(=O)N1CCN(CC(=O)N/C(O)=N/C(C)(C)C)CC1 330565678 KXPAYAZJTMHCDK-JTQLQIEISA-N 314.386 -0.660 30 20 DBED CC(=O)N1CCN(CCNS(=O)(=O)CCCC#N)CC1 330692517 HEYGIEHGXZAZFY-UHFFFAOYSA-N 302.400 -0.626 30 20 DBED N#CC1(C(=O)N(CCO)CCN2CCOCC2)CCOCC1 339804698 MZSKFQQPGUTMJA-UHFFFAOYSA-N 311.382 -0.540 30 20 DBED CCn1c(=O)n(CC(=O)NCC(=O)NCC#N)c2ccccc21 344175204 ZIKRMLNDPPGZDK-UHFFFAOYSA-N 315.333 -0.421 30 20 DBED C[C@@H](C#N)NC(=O)CNS(=O)(=O)c1c[nH]c2ncccc12 346309084 OUBJEZCSKLKALA-QMMMGPOBSA-N 307.335 -0.131 30 20 DBED C=CCOC[C@@H]1NC(=O)N(CCCN2C(=O)CNC2=O)C1=O 348408383 FIEOCBTUTQBSAK-VIFPVBQESA-N 310.310 -0.949 30 20 DBED COCC[C@H](NS(=O)(=O)N(C)C[C@H](C)C#N)C(=O)OC 352560522 PSXPRRZPEQRJKE-ZJUUUORDSA-N 307.372 -0.510 30 20 DBED CCN(CCC#N)S(=O)(=O)N1C[C@H]2CCS(=O)(=O)[C@H]2C1 352645784 NLCJBMQSTLOZEG-MNOVXSKESA-N 321.424 -0.414 30 20 DBED COC(=O)Cn1cc(CNC(=O)N[C@H]2CCC[C@@H]2C#N)nn1 360050742 LNULIGKBWMEAHW-KOLCDFICSA-N 306.326 -0.057 30 20 DBED COC(=O)Cn1cc(S(=O)(=O)N(C)C[C@H](C)C#N)cn1 360581397 KUKUXBSQCKTDJX-SECBINFHSA-N 300.340 -0.164 30 20 DBED C#CCN1CCN(C(=O)CN[C@@H](C)C2(OC)CCOCC2)CC1 491623356 IVONQPANLTUVNR-HNNXBMFYSA-N 323.437 -0.063 30 20 DBED C#C[C@H]1COCCN1C(=O)C(=O)N1CCC[C@H](CCC(=O)O)C1 491639758 YQMXITQMGNVQMC-OLZOCXBDSA-N 322.361 -0.050 30 20 DBED N#Cc1ccc(CNC(=O)CN2CC[C@@H](CO)[C@@H](O)C2)cc1 521674811 PHXSCNQXIYYQMT-GJZGRUSLSA-N 303.362 -0.150 30 20 DBED CN1CCN(C(=O)CN(C)C(=O)c2cccc(C#N)n2)CC1 589611930 NTWSQCBUAUKUCE-UHFFFAOYSA-N 301.350 -0.201 30 20 DBED CN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@@H]1COCCN1 599961111 ATVWSGLDFSQJDC-CQSZACIVSA-N 316.361 -0.379 30 20 DBED CC(C)[C@H](C#N)N1CCN(C(=O)CN2C[C@@H]3CNC[C@@H]3C2)CC1 611371255 SEXLUDFPNMIUGI-XHSDSOJGSA-N 319.453 -0.170 30 20 DBED N#CC(C#N)=c1sc(=Cc2ccsc2)c(=O)n1CC(N)=O 727162473 GPMCEWNNRMWDBV-UHFFFAOYSA-N 316.367 -0.517 30 20 DBED C#Cc1cccc(NC(=O)C(=O)NC[C@]2(O)CCN(C)C2)c1 762701774 RDOQDVMOOZIRDI-MRXNPFEDSA-N 301.346 -0.211 30 20 DBED CS(=O)(=O)CCOCCNC(=O)N1CC[C@](F)(C#N)C1 786124786 ARLFSLOLOWNXCD-NSHDSACASA-N 307.347 -0.305 30 20 DBED C#CCC[C@H](O)CNC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 799075369 BOPNCPWDVJLYTG-GGRQXOBESA-N 320.345 -0.961 30 20 DBED C#C[C@H](NC(=O)C(=O)NC[C@H](C)N(C)C1CC1)[C@@H]1CCCO1 804429162 FUZJRGXXIUWWRA-UBHSHLNASA-N 307.394 -0.118 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCC[C@H](N(C)C)C1)[C@@H]1CCCO1 809309874 RMVUNEOAMXGBIO-IHRRRGAJSA-N 307.394 -0.164 30 20 DBED N#Cc1ccc(OC[C@H](O)CNC[C@@H]2CC(C(N)=O)=NO2)cc1 819252228 FWUQIQGSDCCSRJ-YPMHNXCESA-N 318.333 -0.482 30 20 DBED C[C@](C#N)(CC(=O)O)C(=O)NCCCN1CCCS1(=O)=O 819834948 RDXCVHHOLNSPNM-GFCCVEGCSA-N 317.367 -0.467 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2nccnc2Cl)CC1 820368828 GHJPSJNLDVKRRM-UHFFFAOYSA-N 321.768 -0.363 30 20 DBED CN1CCC(C#N)(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 826022967 UMEXCHSWNXNEFL-UHFFFAOYSA-N 300.326 -0.087 30 20 DBED CCOC(=O)c1cnn(C)c1NC(=O)CN(CC#N)CC(=O)O 829890500 VUEJTLGWBXQMNJ-UHFFFAOYSA-N 323.309 -0.555 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CO[C@H](C)C2)CC1 831568270 CVLBUMMASKIFIH-VXGBXAGGSA-N 315.395 -0.977 30 20 DBED CS(=O)(=O)Nc1cccc(C(=O)N[C@H]2CNC[C@@H]2C#N)c1 834516777 LWZVGJVDWCKBLF-JQWIXIFHSA-N 308.363 -0.101 30 20 DBED Cn1c(N2CC(C)(C)CC[C@@H]2CO)c(C#N)c(=O)n(C)c1=O 863949021 YZUWBXMWJGYNJO-SNVBAGLBSA-N 306.366 -0.057 30 20 DBED C#CC1(O)CN(C(=O)NCCc2nnc(S)n2C2CC2)C1 895675579 GOIWPNMAEQSUOB-UHFFFAOYSA-N 307.379 -0.166 30 20 DBED N#Cc1ccc(F)c(CNC(=O)C(=O)N2C[C@@H]3CNC[C@@H]3C2)c1 911403133 MVXKJZXWONSZPJ-BETUJISGSA-N 316.336 -0.009 30 20 DBED CN(C)CC#CCNC(=O)C[C@H](O)CNC(=O)OC(C)(C)C 913524139 AWQNPHKIANZGLC-LBPRGKRZSA-N 313.398 -0.057 30 20 DBED C=CCC[C@H]1NC(=O)N(CC2CN(S(C)(=O)=O)C2)C1=O 927646766 KMYBFPFXWMKNCG-SNVBAGLBSA-N 301.368 -0.236 30 20 DBED CS(=O)(=O)CC(=O)N1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 937795189 XCCKWNPLAAXFGP-JTQLQIEISA-N 324.362 -0.738 30 20 DBED Cn1ncc(C(=O)N[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)n1 938278064 RXMWRPHMRWXUNX-JTQLQIEISA-N 313.321 -0.341 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](N(C)C(=O)c2cc(=O)n(C)cn2)C1 939408845 CFFAEKDKLLXEHB-GHMZBOCLSA-N 317.349 -0.387 30 20 DBED C#CCN1CC[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)[C@@H](C)C1 942105023 GDHXQCPUFKYTFL-QWHCGFSZSA-N 318.377 -0.993 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2[C@H]3C[C@H]2N(C(=O)CC(N)=O)C3)c1 948004978 SWLJHCSIRQRJAD-YWPYICTPSA-N 312.329 -0.733 30 20 DBED CCN(C(=O)c1cc(C#N)c[nH]1)C1CN([C@H]2CCNC2=O)C1 949854765 WLYYWYBYEHLSSJ-ZDUSSCGKSA-N 301.350 -0.079 30 20 DBED COCCn1cc(C(=O)NC[C@@H]2CCN2C(=O)[C@@H](C)C#N)nn1 949945237 JTEDPKIURXBIEK-QWRGUYRKSA-N 320.353 -0.585 30 20 DBED CCN(C(=O)[C@]12C[C@H]3C[C@@H](C(=O)N1)[C@H]2C3)C1CN(CC#N)C1 950675944 AFWYTWWNDKOWAR-MZXFEWSRSA-N 302.378 -0.043 30 20 DBED C#CCN1C[C@H](CNC(=O)c2ccnn2CC(F)F)[C@@H](O)C1 958069679 OYNFVRXOZLSNJE-JQWIXIFHSA-N 312.320 -0.196 30 20 DBED Cn1nc(C2CC2)cc1C(=O)NC[C@@H]1CN(CC#N)C[C@H]1O 958111702 OYUDGIWWIMTHDV-BXUZGUMPSA-N 303.366 -0.156 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2cnn3c2OCCC3)C1 958220161 UKBAGNIANYDTSZ-YPMHNXCESA-N 304.350 -0.679 30 20 DBED N#CCN1C[C@@H](O)[C@H](CNC(=O)c2cnc3n2CCCC3)C1 958345658 QDMLGKBQGZAEPT-DGCLKSJQSA-N 303.366 -0.235 30 20 DBED CC#CCN1C[C@H](O)[C@H](CNC(=O)c2cnn(CCOC)c2)C1 958635253 GLNADUJOYFKREX-HIFRSBDPSA-N 320.393 -0.425 30 20 DBED C=CCCN1C[C@@H](O)[C@H](CNC(=O)c2nccnc2C(N)=O)C1 958653545 MHAWARORSWGEBQ-GHMZBOCLSA-N 319.365 -0.826 30 20 DBED Cc1nn2cccnc2c1C(=O)NC[C@H]1CN(CC#N)C[C@H]1O 958693880 HZOYDRIWRNFOAR-NWDGAFQWSA-N 314.349 -0.416 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1[C@H]2CN(CC(=O)N(C)C)C[C@H]12 960355453 ZQOMTAAONYCRKF-IHRRRGAJSA-N 318.421 -0.781 30 20 DBED Cn1nnc(C(=O)N2CCC[C@@H]([C@@H]3CCN(CC#N)C3)C2)n1 961222754 ZGRQIQHGAYPAFO-VXGBXAGGSA-N 303.370 -0.092 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CN(C(=O)c3cocn3)C[C@@H]2O)c1 962122456 PTHOMOHHFIFKID-PWSUYJOCSA-N 315.289 -0.510 30 20 DBED C=CC(C)(C)C(=O)N1CC(N2CCN(C(=O)CC(N)=O)CC2)C1 967197647 RJBXQVSJQQFVOH-UHFFFAOYSA-N 322.409 -0.571 30 20 DBED Cc1n[nH]c(C)c1C(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 969703925 PVWNQLRXECNOHJ-OLZOCXBDSA-N 316.361 -0.259 30 20 DBED C#CCCN1CCO[C@]2(CCN(C(=O)CN3CCCC3=O)C2)C1 972247158 BBAGITREQPHBRY-QGZVFWFLSA-N 319.405 -0.065 30 20 DBED N#CCN1CCO[C@@]2(CCN(C(=O)c3coc(C(N)=O)c3)C2)C1 972480436 LUIBHNJGIOBQAH-HNNXBMFYSA-N 318.333 -0.181 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2cnn[nH]2)C1 973439594 HSVOCHYAAWRASK-BFLSOPEQSA-N 305.338 -0.227 30 20 DBED C[C@@H](C(=O)N[C@H]1[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]21)n1cncn1 976379382 NMLGEFIFPHLSEZ-MUYACECFSA-N 313.361 -0.175 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)C(N)=O)c1 977140626 SXECQJNACHNZOY-CHWSQXEVSA-N 314.345 -0.295 30 20 DBED C#CCN1C[C@@H]2C(CNC(=O)[C@@H]3CN4CC5CC4(CO3)C5)[C@H]2C1 978553184 GVTDWMXLFOAFDV-NYBQLZRISA-N 315.417 -0.223 30 20 DBED Cc1ccnc2nc(C(=O)NCC3[C@@H]4CN(CC#N)C[C@@H]34)nn12 979026949 LCNKXCZITOSAAG-RYUDHWBXSA-N 311.349 -0.136 30 20 DBED C#CCN1C[C@H]2C[C@H](NC(=O)CN3C(=O)CCC3=O)CC[C@H]2C1 980245752 OJKSYUZKMBKEOO-BFHYXJOUSA-N 317.389 -0.015 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)CC(N)=O)C1 982567041 JIKRDSMUERLADX-XQQFMLRXSA-N 323.393 -0.192 30 20 DBED C=CCN[C@H]1CCN(C(=O)c2cn(CC(=O)N(C)C)nn2)[C@H]1C 987575015 HNJBCQHUBCZROT-RYUDHWBXSA-N 320.397 -0.255 30 20 DBED N#Cc1ccc(C(=O)N2CC(NC(=O)[C@@H]3CCCNC3=O)C2)[nH]1 993995822 BMPRRYRWTALMRD-LLVKDONJSA-N 315.333 -0.647 30 20 DBED CC(C)C(=O)N[C@H]1CC(=O)N(C2CN(C(=O)[C@@H](C)C#N)C2)C1 995468792 LVFOMFRMTJBTGI-QWRGUYRKSA-N 306.366 -0.270 30 20 DBED C=CCN[C@H]1CN(C(=O)CC[C@H]2NC(=O)NC2=O)CC1(C)C 996585053 ODZKSQUVZOUPGO-MNOVXSKESA-N 308.382 -0.013 30 20 DBED N#CCN[C@H]1CCCN(C(=O)c2ccc(-n3cnnn3)cn2)C1 999796066 JTWGNAWZFSYSNH-NSHDSACASA-N 312.337 -0.225 30 20 DBED C[C@@H](C#N)C(=O)N1CC(CNC(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1 1002209636 DBINWYKWLJPAMZ-JFGNBEQYSA-N 306.366 -0.365 30 20 DBED C#Cc1cncc(C(=O)N[C@H]2C[C@H](C)N(C(=O)CC(N)=O)C2)c1 1012406771 CXRVWSIHQQDRRO-GWCFXTLKSA-N 314.345 -0.343 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CCN(CC(=O)N(C)C)C2)nc1 1016024938 TTWSNDGZWRAWII-CYBMUJFWSA-N 300.362 -0.045 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2cccnc2)C1 1023410622 MTUYPUKZRYDKIN-RAIGVLPGSA-N 302.334 -0.528 30 20 DBED CCn1nc(C)cc1C(=O)N[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1O 1025778381 OCOUYDVWWMTARE-IRUJWGPZSA-N 319.365 -0.327 30 20 DBED C=CCCN1C[C@H]2[C@H](NC(=O)C3CC4(C3)NC(=O)NC4=O)[C@H]2C1 1026102777 HGXXZIFMQJFWAF-LABFESNASA-N 318.377 -0.403 30 20 DBED C=C(C)CN1C[C@H]2[C@H](NC(=O)C3CC4(C3)NC(=O)NC4=O)[C@H]2C1 1026102952 RFTPRBRVMKRYAI-LABFESNASA-N 318.377 -0.403 30 20 DBED C=CCN[C@@H]1CC[C@H]2CN(C(=O)CN3CC(=O)N(C)C3=O)C[C@H]21 1026397815 QEIFUWGIWSNUAX-YNEHKIRRSA-N 320.393 -0.107 30 20 DBED C#Cc1ccc(C(=O)NC2CN([C@@H](C)C(=O)N(C)C)C2)cn1 1031279384 AZJBGDDUMQBXRE-NSHDSACASA-N 300.362 -0.046 30 20 DBED C#CCN[C@H]1CCN(C(=O)c2cnc(O)n(C)c2=O)C[C@@H]1C 1036137916 AWBIBMFJVMPAPA-JQWIXIFHSA-N 304.350 -0.441 30 20 DBED C=CCN[C@@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C[C@H]1C 1036307403 CFMSLVIADNRHDF-GHMZBOCLSA-N 306.370 -0.610 30 20 DBED CNC(=O)CC(=O)N1CC[C@](O)(CNC(=O)C#CC(C)(C)C)C1 1039688948 TUOSVJOMZBFLIC-INIZCTEOSA-N 323.393 -0.748 30 20 DBED CCN(CC)CC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H](C)C#N)C1 1039784269 CJSRBYUMZRZILZ-WFASDCNBSA-N 310.398 -0.433 30 20 DBED C[C@H]1[C@@H](Nc2cncc(C#N)n2)CCN1C(=O)[C@H]1CCNC1=O 1040212884 GZBHYRQXRXSECE-DLOVCJGASA-N 314.349 -0.114 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)[C@@H](C)n2cccn2)C1 1041614625 ZXHVJKWKHAJVAU-GHMZBOCLSA-N 305.338 -0.707 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)CN(C)CCC)C1 1042039877 KTEIYQSQMDCPSJ-UHFFFAOYSA-N 313.398 -0.780 30 20 DBED C=CCN1CC[C@H](N2CC(N(C)C(=O)[C@H]3CCC(=O)N3)C2)C1=O 1042542349 QZNKNCXRHCOWMP-OLZOCXBDSA-N 320.393 -0.806 30 20 DBED C=C(Cl)CN1CC(N(C)C(=O)CN2CCCS2(=O)=O)C1 1042852356 XYIVFDNGAYNEQU-UHFFFAOYSA-N 321.830 -0.083 30 20 DBED CC(C)(C)C#CC(=O)NCC1(O)CN(C(=O)c2ncc[nH]2)C1 1042966187 QKYXSBRCILDKDJ-UHFFFAOYSA-N 304.350 -0.238 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2ccco2)C1 1043042749 VWEJTLFGUVQWIZ-NSHDSACASA-N 306.318 -0.379 30 20 DBED CC(=O)N1CCO[C@H](C(=O)N2CCC[C@H]3[C@H]2CCN3CC#N)C1 1049871218 PTYFGDIQDBNXOL-ZNMIVQPWSA-N 320.393 -0.177 30 20 DBED C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1COCCN1C(C)=O 1049905842 BJKPUSBERZWPEI-XHSDSOJGSA-N 319.405 -0.068 30 20 DBED N#CCN1C[C@@H]2CCCN(C(=O)CN3CCOCC3=O)[C@@H]2C1 1050063364 IKERIWNECOPCJA-QWHCGFSZSA-N 306.366 -0.708 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)c1cn(C)c(=O)cn1)C2 1050596633 GGRHZOJJPAXGOI-UHFFFAOYSA-N 300.362 -0.049 30 20 DBED N#CCN1CCOC[C@@H]1CNC(=O)[C@@H]1CCc2nccn2C1 1050988550 GTGDJRMMZVNBGX-OLZOCXBDSA-N 303.366 -0.214 30 20 DBED C=CCN1CCN([C@@H]2CCN(C(=O)C3CN(C(C)=O)C3)C2)CC1 1052018858 RSLOCWMCFULQOY-MRXNPFEDSA-N 320.437 -0.131 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](C)[C@H](CNC(=O)CCOC)C1 1052398855 YEGZWWVJPRKIAE-CHWSQXEVSA-N 323.393 -0.627 30 20 DBED C#CCN1CCC[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)CC1 1052760484 GYPBAKKAUUQULI-LBPRGKRZSA-N 318.377 -0.699 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)c3cnc(O)n3C)CO2)C1 1053892517 XFBDSNRRRNSHQL-NSHDSACASA-N 304.350 -0.278 30 20 DBED C=C(C)CN1CC2(C[C@@H](NC(=O)C[C@@H]3CC(=O)NC3=O)CO2)C1 1054025642 DKRJTPTUMJZZBQ-VXGBXAGGSA-N 321.377 -0.425 30 20 DBED CCNC(=O)CCC(=O)N1C[C@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2C1 1055244142 MAZXCOVLZXBAJX-UPJWGTAASA-N 320.393 -0.021 30 20 DBED C=C(C)C(C)(C)C(=O)NCCN(CCO)C(=O)CC(=O)NC 1057417366 SMAJMRHHOWFKAS-UHFFFAOYSA-N 313.398 -0.338 30 20 DBED C=C[C@@H](C)[C@@H](C)C(=O)NCCN(CCO)C(=O)c1cnn(C)n1 1058095492 IUSSVZWIPXQFNJ-VXGBXAGGSA-N 323.397 -0.176 30 20 DBED C=C(C)C(C)(C)C(=O)N(CCO)CCNC(=O)c1cnn(C)n1 1058287793 FEZRSIYRGZUVTH-UHFFFAOYSA-N 323.397 -0.032 30 20 DBED CN1CC[C@H](C(=O)N[C@@H]2CCN(c3ccc(C#N)nn3)C2)C1=O 1058514591 LRBYNAHOPZBKBX-VXGBXAGGSA-N 314.349 -0.479 30 20 DBED C=C[C@@](C)(CC)C(=O)N(CCO)CCNC(=O)c1cnn[nH]1 1058729647 PMXDJWMQOLUTCY-AWEZNQCLSA-N 309.370 -0.042 30 20 DBED C#Cc1cncc(C(=O)N(CCO)CCNC(=O)[C@H](C)C#N)c1 1058777879 YFYQNFXLUDQCCV-GFCCVEGCSA-N 314.345 -0.227 30 20 DBED N#Cc1cncc(N[C@H]2C[C@H](NC(=O)CN3CCOCC3)C2)n1 1059186986 PSCQYSSCTIPTNI-HAQNSBGRSA-N 316.365 -0.260 30 20 DBED CN1CC[C@H](C(=O)N[C@H]2C[C@H](Nc3nccnc3C#N)C2)C1=O 1059376664 HOJVJEGQGATVFF-GMTAPVOTSA-N 314.349 -0.114 30 20 DBED CO[C@H](C)C(=O)NC[C@@H]1COCCN1C(=O)c1c[nH]c(C#N)c1 1061365526 BSFOWQJQXGFLIE-ZWNOBZJWSA-N 320.349 -0.122 30 20 DBED CN(C(=O)Cc1nc[nH]n1)[C@H]1CCN(c2cnc(C#N)cn2)C1 1062976227 HIXMYBYRMXYZQJ-NSHDSACASA-N 312.337 -0.254 30 20 DBED N#Cc1nccnc1N1CCC2(CCN(C(=O)C(N)=O)CC2)C1 1063600061 NQQVDGSHUWRENK-UHFFFAOYSA-N 314.349 -0.348 30 20 DBED N#Cc1ccc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)c2nccnc2N)nn1 1064225972 VANWXUSURVQLAL-QRTLGDNMSA-N 322.332 -0.272 30 20 DBED C#CCCCCC(=O)NC[C@@H]1CN(C(=O)CNC(N)=O)CCO1 1064838775 KNTYPJAKONVUBN-GFCCVEGCSA-N 324.381 -0.808 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(C(=O)c2cccnn2)CCO1 1065514683 OGCAESCZNNYSFD-ZDUSSCGKSA-N 314.345 -0.153 30 20 DBED C=C[C@](C)(CC)C(=O)N1CCO[C@H](CNC(=O)CC(N)=O)C1 1065578821 TYHQTRDVEUKGPK-IAQYHMDHSA-N 311.382 -0.192 30 20 DBED Cc1ccn(CC(=O)N2CCO[C@@H](CNC(=O)[C@H](C)C#N)C2)n1 1065630023 NUFQTALLJKDNIM-YPMHNXCESA-N 319.365 -0.305 30 20 DBED C=CCOCC(=O)N1CCC[C@H](NC(=O)CNC(C)=O)CC1 1065773550 PMHFNFCHDVOYJW-ZDUSSCGKSA-N 311.382 -0.178 30 20 DBED C#CCO[C@H](C)C(=O)N(C)CCCN(C)C(=O)Cn1nccn1 1067431416 QTHBKPCCGHQGOQ-CYBMUJFWSA-N 321.381 -0.377 30 20 DBED C[C@H]1C[C@@H](CNc2nccnc2C#N)CN1C(=O)CC(N)=O 1068303426 PLTIDMUBQZMRAT-UWVGGRQHSA-N 302.338 -0.127 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1 1070597307 MNCSIEZAZHHCCC-GFCCVEGCSA-N 317.349 -0.257 30 20 DBED CN1CCOC[C@H]1C(=O)N1CCC[C@@H](NC(=O)C#CC2CC2)C1 1070631460 XSFBTYWFRMPCJT-CABCVRRESA-N 319.405 -0.162 30 20 DBED CO[C@H](C(=O)N1CCC(=O)NCCN(CC#N)CC1)C1CC1 1070959814 JFICPOIFOMIEGF-AWEZNQCLSA-N 308.382 -0.415 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)c2cn(CC)nn2)CC1 1071011808 UVSJIGVUIBAPBZ-UHFFFAOYSA-N 318.381 -0.805 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)CC(=O)NC)C1 1071365316 POKBPVMFUQGQQG-UPJWGTAASA-N 323.393 -0.179 30 20 DBED C=CCN1C[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)CC[C@@H]1C 1071548730 KYZYZHNXAHZHIJ-STQMWFEESA-N 320.393 -0.298 30 20 DBED C#CCCN1CCCO[C@H](CNC(=O)c2nccnc2N)C1 1073562141 LRANKSHSDLKWPA-GFCCVEGCSA-N 303.366 -0.097 30 20 DBED N#Cc1cc(C(=O)N2CC[C@H]3OCCN(CC(N)=O)[C@H]3C2)c[nH]1 1074212109 KFWKLMAEDCPRQH-QWHCGFSZSA-N 317.349 -0.713 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CCN(C(=O)c2cnns2)CC1 1074495802 ALHSOMFAWBQUBZ-VIFPVBQESA-N 323.378 -0.219 30 20 DBED CC(C)C#CC(=O)N[C@H]1CCN(C(=O)Cn2ncnn2)[C@H](C)C1 1074977114 JQGGVCAOIIGUER-OLZOCXBDSA-N 318.381 -0.172 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCN(C(=O)CNC(C)=O)[C@@H](C)C1 1074990213 CMTBHBPPJKOGRH-GXTWGEPZSA-N 323.393 -0.342 30 20 DBED C[C@@H](CCNC(=O)c1ccc(C#N)[nH]1)NC(=O)C1(C(N)=O)CC1 1076182061 RHMXBACDTNQERL-VIFPVBQESA-N 317.349 -0.224 30 20 DBED CC(C)C#CC(=O)NCC[C@H](C)NC(=O)C1CS(=O)(=O)C1 1076412726 ROHGFIFOXGLTIL-NSHDSACASA-N 314.407 -0.299 30 20 DBED C#CCO[C@H](C)C(=O)NCC[C@H](C)NC(=O)C1=COCCO1 1076508910 ISUFHKKQLAJUOA-NWDGAFQWSA-N 310.350 -0.076 30 20 DBED C=CCn1cccc1C(=O)N[C@@H]1CN(CC(=O)NC)C[C@H]1O 1077133370 OKRLUMGQPIPHGS-DGCLKSJQSA-N 306.366 -0.805 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(Cc2ncnn2C)C[C@H]1O 1077694091 FFEKZROXZIFHKA-LPWJVIDDSA-N 321.381 -0.933 30 20 DBED C#CCOCCC(=O)N[C@@H](C)CCNC(=O)CCc1cnn[nH]1 1078528049 MSIFEFHOSQWWLA-LBPRGKRZSA-N 321.381 -0.212 30 20 DBED C[C@@H](CCNC(=O)Cn1cncn1)NC(=O)c1c[nH]c(C#N)c1 1078570711 WODQMQQQXKRLRH-JTQLQIEISA-N 315.337 -0.197 30 20 DBED C#CCN1C[C@@H](NC(=O)c2ccc(S(N)(=O)=O)o2)[C@H](C)C1 1080036411 VMEBMJYHBBYXRV-NXEZZACHSA-N 311.363 -0.390 30 20 DBED N#Cc1c[nH]c(C(=O)N2C[C@@H](O)[C@H](CNC(=O)C(F)F)C2)c1 1081149032 DJKQDOXLPMGIIK-PSASIEDQSA-N 312.276 -0.299 30 20 DBED C=CCCOCC(=O)N1C[C@@H](O)[C@H](CNC(=O)CSC)C1 1081231284 LHENURJZMPDTAX-VXGBXAGGSA-N 316.423 -0.122 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@H](CNC(=O)CNC(=O)OC)C1 1081305200 NFBCCXWHCZEGMG-MNOVXSKESA-N 313.354 -0.756 30 20 DBED C#CCCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)Cc2cc[nH]n2)C1 1081369270 WJZAOKJLLHOTHE-TZMCWYRMSA-N 318.377 -0.309 30 20 DBED C#CCCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)Cn2nccn2)C1 1081516935 KVMYKQHYNHLBQI-CHWSQXEVSA-N 319.365 -0.983 30 20 DBED CO[C@@H]1CN([C@@H]2CCNC2=O)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 1081552547 PHTLKMPFBVLDFE-JHJVBQTASA-N 317.349 -0.796 30 20 DBED CC#CCN1C[C@@H](NC(=O)[C@@H]2CCNC(=O)CC2)[C@H](OC)C1 1081986736 SXGOPUNPTJBGSO-BFHYXJOUSA-N 307.394 -0.259 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H]1CCCCN1C(=O)c1nc[nH]n1 1082216551 WHJJAVPEZXJZMW-RYUDHWBXSA-N 319.365 -0.046 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@H]1CCCCN(C)C1=O 1082323583 CSLYYZNBDKACBJ-JHJVBQTASA-N 308.382 -0.416 30 20 DBED C[C@@H]1CN(C(=O)[C@@H]2CCc3nnc(O)n3C2)C[C@H]1NCC#N 1082602483 FZCJKHAPBICENI-GMTAPVOTSA-N 304.354 -0.494 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2cn3c(n2)C[C@H](C)CC3)C1 1083568806 OOQQCZIKYKODOO-BZPMIXESSA-N 302.378 -0.127 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@H]2CN3CC4CC3(CO2)C4)C1 1083655043 SBNQDGIUGYYBLD-WCCAFZKYSA-N 319.405 -0.966 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)Cc2ccc3c(c2)OCCO3)C1 1084030125 CYNMPNMVKSXPMI-KGLIPLIRSA-N 316.357 -0.205 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)[C@H]2CCCS2(=O)=O)C1 1084072876 AGWBNLYFUDIHMS-OUAUKWLOSA-N 322.814 -0.523 30 20 DBED C=CCN[C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1c1cnn(C)c1 1087008676 RYYQTEARBYZNLT-UONOGXRCSA-N 315.381 -0.218 30 20 DBED C[C@@H]1[C@@H](NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)CCN1CC#N 1088565681 ZEBIOAPOVOQTFL-MDZLAQPJSA-N 316.365 -0.135 30 20 DBED COCC(=O)NC[C@@H]1CN(c2nccnc2C#N)CCCO1 1089513406 VLOZUTLGEJWCDN-LLVKDONJSA-N 305.338 -0.294 30 20 DBED COCC(=O)NC[C@@H]1CN(c2ccnc(C#N)n2)CCCO1 1089513559 XHIKREZORYGLRA-LLVKDONJSA-N 305.338 -0.294 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)c2cc(C(N)=O)cn2C)[C@H](O)C1 1090397524 BEAWEOYSASMISJ-TZMCWYRMSA-N 320.393 -0.135 30 20 DBED COc1ccnc(N2C[C@@H](O)[C@H](NC(=O)C#CC3CC3)C2)n1 1090413593 VVHHKSWEEKKESO-VXGBXAGGSA-N 302.334 -0.436 30 20 DBED C=C(C)CCN1CC[C@H](NC(=O)CN2C(=O)CCC2=O)[C@@H](O)C1 1090796543 PPILONZSSAMCJC-STQMWFEESA-N 323.393 -0.347 30 20 DBED CO[C@@H](C)C(=O)N[C@@H]1CN(c2nc(C)cc(C#N)n2)C[C@@H]1O 1091067805 QYBAHPFPRYWXLU-WCQGTBRESA-N 305.338 -0.643 30 20 DBED CO[C@@H](C)CCC(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@@H]1O 1091096635 WCAWXMSAHUZIRK-UHTWSYAYSA-N 319.365 -0.171 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1091118258 FOOKXPMCMZQBIJ-TUAOUCFPSA-N 317.349 -0.395 30 20 DBED CNC(=O)CC(=O)N1C[C@@H](C)[C@H](CNc2nccnc2C#N)C1 1092646075 AKDBBKQFSLKXPP-GHMZBOCLSA-N 316.365 -0.009 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc2nnnn2n1 1092811382 GCBVJVMCGPNWHO-ZNSHCXBVSA-N 312.337 -0.095 30 20 DBED N#Cc1cnc(N2C[C@H]3[C@H](NC(=O)CCc4nc[nH]n4)[C@H]3C2)cn1 1093238907 HFUCOVFZQGWWLD-HBYGRHMLSA-N 324.348 -0.350 30 20 DBED N#Cc1cnc(N2C[C@H]3[C@H](NC(=O)CCn4ccnn4)[C@H]3C2)cn1 1093260788 PRNPIQOTMLVEDQ-JYAVWHMHSA-N 324.348 -0.419 30 20 DBED N#Cc1cncc(N2C[C@H]3[C@H](NC(=O)CCc4cnn[nH]4)[C@H]3C2)n1 1093361575 PFCLOOVGYHWRTI-JYAVWHMHSA-N 324.348 -0.350 30 20 DBED C#CCN1CC(n2cc(CNC(=O)[C@@H]3CN(C)C[C@H]3C)nn2)C1 1094316560 KTGNJGXBJPDJGD-IUODEOHRSA-N 316.409 -0.418 30 20 DBED C#CCCN1CCN(C(=O)CSC)[C@@H]2CS(=O)(=O)C[C@@H]21 1094604080 YFQCMSVIVPNQKR-NWDGAFQWSA-N 316.448 -0.318 30 20 DBED N#Cc1c[nH]ccc1=NCCCNC(=O)[C@H]1CC[C@@H]1C(N)=O 1094704229 XKIZNFUOWDAZKS-RYUDHWBXSA-N 301.350 -0.195 30 20 DBED N#CCN1CC(N2C[C@H](NC(=O)c3cncc(F)c3)CC2=O)C1 1094721360 AILPAOMCDNZENT-GFCCVEGCSA-N 317.324 -0.241 30 20 DBED C#CCCN1CC(N2C[C@H](NC(=O)c3n[nH]cc3C)CC2=O)C1 1094735505 PXZFCQKNBVQYBW-GFCCVEGCSA-N 315.377 -0.244 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)c3cn(C)c(O)n3)CC2=O)C1 1094779623 PIVZPHUKFWMMDD-SNVBAGLBSA-N 319.365 -0.673 30 20 DBED Cc1nc[nH]c1C(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1 1094820092 FDGFFKBYSLDCDT-JTQLQIEISA-N 302.338 -0.743 30 20 DBED COC[C@H](OC)C(=O)N[C@@H]1CCN(c2ccnc(C#N)n2)C1 1096483279 XXFQWOHNFMIJSI-MNOVXSKESA-N 305.338 -0.295 30 20 DBED C#CCNC(=O)CC(=O)N1[C@H]2CC[C@H]1CN(c1ncccn1)C2 1096888570 IKVHJPAKXYPTCQ-STQMWFEESA-N 313.361 -0.204 30 20 DBED C[C@@H](CNC(=O)Cn1ccccc1=O)N=c1cc[nH]c(C#N)n1 1097840365 CBHXCEJYGWGFSS-NSHDSACASA-N 312.333 -0.451 30 20 DBED C[C@H](CNC(=O)[C@@H]1CCCNC1=O)Nc1cnc(C#N)cn1 1098121166 VLIIXQCKESBMRA-MWLCHTKSSA-N 302.338 -0.209 30 20 DBED CCN1CCOC[C@@H]1C(=O)NC[C@@H](C)Nc1ccc(C#N)nn1 1098128585 JLKGSQRCUIFFEZ-DGCLKSJQSA-N 318.381 -0.014 30 20 DBED CCN1CCOC[C@@H]1C(=O)NC[C@@H](C)N=c1cc[nH]c(C#N)n1 1098129155 WKEUGROXZOXJMJ-VXGBXAGGSA-N 318.381 -0.593 30 20 DBED C[C@H](CNC(=O)[C@@]1(C)CCNC1=O)Nc1nccnc1C#N 1098261085 LVWAVOKTAIPQAP-OTYXRUKQSA-N 302.338 -0.209 30 20 DBED Cc1cc(C#N)nc(N[C@H](C)CNC(=O)[C@H]2C[C@H]2C(N)=O)n1 1098270374 IOTMJWOVDVOTIR-IEBDPFPHSA-N 302.338 -0.305 30 20 DBED N#CCNCc1cn([C@H]2CCN(C(=O)c3cocn3)C2)nn1 1098636923 FMJWZNOVISMPNU-NSHDSACASA-N 301.310 -0.034 30 20 DBED NC(=O)CNCc1cn([C@@H]2CCN(C(=O)C#CC3CC3)C2)nn1 1098669420 QGNJSNFRIUEUNR-CYBMUJFWSA-N 316.365 -0.960 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)c2ccc[nH]2)[C@@H](O)C1 1099655034 VYZGDWIBIJNSPC-AAEUAGOBSA-N 306.366 -0.518 30 20 DBED Cn1cc(CN2CC[C@@H](NC(=O)CSCC#N)[C@H](O)C2)nn1 1099693142 MCDUSTAGAHPQFG-VXGBXAGGSA-N 324.410 -0.877 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)c2cc(F)c[nH]2)[C@@H](O)C1 1099920816 GFLULARTXVOFQQ-YPMHNXCESA-N 322.340 -0.932 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CCc2nccn2C)[C@@H](O)C1 1099929510 ZRXMMLVBTHAJAC-KGLIPLIRSA-N 304.394 -0.073 30 20 DBED CN(CCNC(=O)C[C@H]1COC(=O)C1)c1ccc(C#N)nn1 1100012162 HLEBCECHERVRNV-SNVBAGLBSA-N 303.322 -0.146 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)Cc2cnc[nH]2)[C@H](O)C1 1100018799 XXESZAFNPKMPEB-UONOGXRCSA-N 308.382 -0.294 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CC(CNC(=O)CC2(O)CCC2)C1 1100311241 GMMOVFIOXOEVIC-IYXRBSQSSA-N 321.421 -0.086 30 20 DBED COCC(=O)N(C)CC(=O)NCCN(C)c1ccc(C#N)nc1 1100375262 YYRWHICUHOPEGQ-UHFFFAOYSA-N 319.365 -0.390 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)Cc2cncn2C)C1 1100871233 ILRYEGORVWAVKG-UHFFFAOYSA-N 317.393 -0.804 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H]1CCN(c2nccc(C)n2)C1 1100974748 ZQJLYXBLJMXVPY-ZDUSSCGKSA-N 315.377 -0.133 30 20 DBED COCC#CCN1C[C@@H]2CN(C(=O)[C@@H](C)NC(C)=O)C[C@]2(C)C1 1101115993 BUVFTIJEAVHCFS-UNEWFSDZSA-N 321.421 -0.059 30 20 DBED C=CCN1CC2(C[C@@H](NC(=O)[C@H](C)NC(N)=O)c3nccn32)C1 1101624420 UWRNXSBZPZEFJO-WDEREUQCSA-N 318.381 -0.302 30 20 DBED CN(CCNc1nccnc1C#N)C(=O)[C@H]1CCCC(=O)N1 1101825758 MFFJIMARQWILKQ-SNVBAGLBSA-N 302.338 -0.113 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1CNC(=O)[C@@H](C)NS(C)(=O)=O 1102401605 HXRDHLAPPKXJCI-GMTAPVOTSA-N 302.400 -0.868 30 20 DBED CN(C(=O)C(C)(C)C(N)=O)[C@@H]1CCN(c2cncc(C#N)n2)C1 1102740229 JOKLGPKVZNNCPR-LLVKDONJSA-N 316.365 -0.103 30 20 DBED CC[C@@H](CNC(=O)[C@H]1COCCO1)N=c1cc[nH]c(C#N)n1 1103010687 MWUCMNAYXNLANU-WDEREUQCSA-N 305.338 -0.508 30 20 DBED CC[C@H](CNC(=O)Cn1cnnc1O)Nc1ccc(C#N)nn1 1103066488 ZUIHWIVIWXEMGA-SECBINFHSA-N 316.325 -0.348 30 20 DBED N#Cc1cccnc1NC[C@H](O)CNC(=O)c1cc[n+]([O-])cc1 1105715623 YOBXCBDJGZRQDA-ZDUSSCGKSA-N 313.317 -0.211 30 20 DBED CN1CCO[C@H](C(=O)NC[C@H](O)CNc2ncccc2C#N)C1 1105770204 WMTKEWBKFNFVSO-OLZOCXBDSA-N 319.365 -0.827 30 20 DBED Cc1cc(=NC[C@@H](O)CNC(=O)c2ccn(C)n2)c(C#N)c[nH]1 1105856041 MQQTYGRRPKEIQD-GFCCVEGCSA-N 314.349 -0.380 30 20 DBED COCC[C@@H](C)C(=O)NC[C@@H](O)CN=c1cc[nH]cc1C#N 1105859520 BZNKGUGPEXKSJB-YPMHNXCESA-N 306.366 -0.063 30 20 DBED Cn1ncc(C(=O)NC[C@H](O)CNc2ncc(C#N)cc2F)n1 1105898854 TZFUEACZQGHIPJ-SECBINFHSA-N 319.300 -0.576 30 20 DBED COC[C@H](OC)C(=O)N[C@H](C)CCN=c1cc[nH]c(C#N)n1 1106562922 XCUOGHSEAIKVSK-MNOVXSKESA-N 307.354 -0.262 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)Cn2nc(C)n(C)c2=O)C[C@H]1C 1106937946 JOTIKJYPETUHNO-TZMCWYRMSA-N 319.409 -0.402 30 20 DBED CCN(CCNc1nccnc1C#N)C(=O)[C@H]1C[C@H]1C(N)=O 1106952299 YEIMPHGWUYRWLJ-ZJUUUORDSA-N 302.338 -0.270 30 20 DBED CC#CCN1CC(n2cc(CNC(=O)Cc3cnc[nH]3)nn2)C1 1107215823 NVJYSRIQSNIXLV-UHFFFAOYSA-N 313.365 -0.260 30 20 DBED CC(C)NC(=O)CN1CCO[C@@](C)(CNC(=O)[C@@H](C)C#N)C1 1107820946 GJKADSQHVAWZQR-WFASDCNBSA-N 310.398 -0.122 30 20 DBED C[C@H](CNc1nccnc1C#N)NC(=O)CCN1CCOCC1 1107834830 WVXKLZHDRNOGQZ-GFCCVEGCSA-N 318.381 -0.013 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H](C)OCC#C 1109268040 VELZELZLWMMOQK-KBXIAJHMSA-N 317.389 -0.504 30 20 DBED CCC(=O)NCC(=O)N[C@@H](CN=c1cc[nH]c(C#N)n1)C1CC1 1109794063 QDMPCEAJNDBXOL-NSHDSACASA-N 316.365 -0.397 30 20 DBED CC(C)OCC(=O)NC[C@@]1(O)CCN(c2cnc(C#N)cn2)C1 1111036148 JIWVRAVNKLIYDF-HNNXBMFYSA-N 319.365 -0.169 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@]1(O)CCN(c2ccc(C)nn2)C1 1111098032 KQFPYVYVAORXMB-XJKSGUPXSA-N 318.377 -0.119 30 20 DBED CO[C@@H](C)C(=O)N(C)[C@H]1CN(c2nc(C)cc(C#N)n2)C[C@@H]1O 1111171255 WFYTVKXFNAZWQS-DRZSPHRISA-N 319.365 -0.301 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(c2ncc(F)cn2)C[C@@H]1O 1112721137 VNYCKZGJPWJLFH-YPMHNXCESA-N 304.325 -0.058 30 20 DBED CC#CCCCC(=O)N1CCN(CC(=O)NC(=O)NC)CC1 1113226215 RMJUUWUMSPBPHY-UHFFFAOYSA-N 308.382 -0.220 30 20 DBED C[C@H](NC(=O)C1(C(N)=O)CC1)[C@H](C)Nc1cncc(C#N)n1 1113274593 SYIPMXSPQJZZRQ-IUCAKERBSA-N 302.338 -0.081 30 20 DBED C[C@@H](CNC(=O)c1nccnc1N)N(C)c1ccc(C#N)nn1 1113525683 CCQXADAVJYADPY-VIFPVBQESA-N 312.337 -0.025 30 20 DBED C[C@H](CNC(=O)C1CS(=O)(=O)C1)N(C)c1cncc(C#N)n1 1113733405 BFSVGNLPRYCPFS-SECBINFHSA-N 323.378 -0.666 30 20 DBED C[C@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)N(C)c1ncccc1C#N 1113802866 WLFFIIANTBEJKW-PWSUYJOCSA-N 316.365 -0.082 30 20 DBED C[C@H](CNC(=O)c1nnn(C)n1)N(C)c1cnc(C#N)cn1 1113815367 ZSRGZIRYYYAMOD-MRVPVSSYSA-N 301.314 -0.874 30 20 DBED N#Cc1ccccc1CN1C[C@H]2C(NC(=O)CNC(N)=O)[C@@H]2C1 1113848533 CPHRJBNTUKFWNW-CHWSQXEVSA-N 313.361 -0.227 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)c3cc(C)no3)[C@H]2C1 1113852664 OSQLMWGPOUMOMI-SRVKXCTJSA-N 316.361 -0.219 30 20 DBED CC(C)[C@@H](CCN(C)C(=O)CC(N)=O)N=c1cc[nH]c(C#N)n1 1114080233 IXKLTTQZFSXUFM-LLVKDONJSA-N 318.381 -0.069 30 20 DBED N#CCNC(=O)CN1C[C@H]2C(NC(=O)[C@H]3CCCCO3)[C@@H]2C1 1114140230 BMZQEMMSEAMOCY-IJLUTSLNSA-N 306.366 -0.758 30 20 DBED Cc1ncc(CC(=O)N[C@H]2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]32)o1 1114400763 JVKSTJSLEKMEQW-JYAVWHMHSA-N 317.349 -0.788 30 20 DBED N#Cc1nccnc1NC[C@H]1C[C@H](NC(=O)C2(C(N)=O)CC2)C1 1114811967 YHLBTRMMJBSQFA-MGCOHNPYSA-N 314.349 -0.080 30 20 DBED CO[C@]1(CNC(=O)CCN/C(O)=C2\N=CC=CC2=O)CCOC1 1116601098 ZFBKTEGGMUPVNC-BUYIWHAFSA-N 323.349 -0.175 30 20 DBED C=CCOC[C@@H](NC(=O)C[C@H]1C=CS(=O)(=O)C1)C(=O)OC 1116895193 ZKPBCESSPXVQAY-GHMZBOCLSA-N 317.363 -0.205 30 20 DBED CN1CCN(CCCCNC(=O)C(=O)NCCCC#N)CC1 1117022621 NTKIHUSDTIUHFX-UHFFFAOYSA-N 309.414 -0.450 30 20 DBED C=CCOCC(=O)NC[C@@H](CO)Nc1ncnc2c1cnn2C 1121324880 RQYRCTZPPFFNBU-JTQLQIEISA-N 320.353 -0.545 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H](CO)Nc1cc(C)nc(CO)n1 1122037113 UDNKGIYUMFYVEK-NWDGAFQWSA-N 322.365 -0.795 30 20 DBED N#Cc1nc(=N[C@H](CO)CNC(=O)C2CC3(CC3)C2)cc[nH]1 1122569234 WMWAAHBZVZMGBF-NSHDSACASA-N 301.350 -0.151 30 20 DBED Cc1cc(=N[C@H](CO)CNC(=O)[C@H]2OCC[C@H]2C)c(C#N)c[nH]1 1122584123 CVOZLXHBMQCTQD-DGFSRKRXSA-N 318.377 -0.002 30 20 DBED CN(C[C@H](O)CN(C)c1ccnc(C#N)n1)C(=O)c1cnco1 1125231290 QGPYSQGCHMDDNV-SNVBAGLBSA-N 316.321 -0.094 30 20 DBED N#Cc1cc(CNCCNC(=O)Cn2cnnc2O)ccc1F 1126022094 XUGFFDFGNYYLKC-UHFFFAOYSA-N 318.312 -0.100 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)Cc1ccoc1 1126134600 IMCRJRDKQMJVPQ-UHFFFAOYSA-N 308.338 -0.460 30 20 DBED CN(C(=O)CS(C)(=O)=O)C1CC(Nc2cnc(C#N)cn2)C1 1126859482 PKRFEXLFHPDJLP-UHFFFAOYSA-N 323.378 -0.206 30 20 DBED C#CCO[C@H](C)C(=O)NCCNCc1ncnn1CC(F)F 1127039903 UCLMODGNTPVLII-SNVBAGLBSA-N 315.324 -0.213 30 20 DBED C#CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H](C)NC(C)=O)C1 1128653329 XFWMJFCSOZRGDS-YUTCNCBUSA-N 318.381 -0.833 30 20 DBED COCC#CCNCCNC(=O)[C@H]1CC(=O)N(CC(C)C)C1 1128678535 AIMWRHKVZWAART-AWEZNQCLSA-N 309.410 -0.154 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1cc2cnccc2[nH]1 1130266015 IKFBIEHEIIWCRA-UHFFFAOYSA-N 300.322 -0.478 30 20 DBED C=CCCCN1CCOC[C@@H]1c1n[nH]c(CNC(=O)C(N)=O)n1 1130859788 QCAYCQARODPTIR-SNVBAGLBSA-N 322.369 -0.754 30 20 DBED CNC(=O)C1(C(=O)N2C[C@H](C)O[C@]3(CCN(CC#N)C3)C2)CC1 1131688816 RWBJNVYOAZQDDY-WFASDCNBSA-N 320.393 -0.272 30 20 DBED CC(=O)N(C)CC(=O)N[C@@H]1CC[C@H](C)N(CC(=O)NCC#N)C1 1131830275 PCYLDPXHOAYPHV-WCQYABFASA-N 323.397 -0.926 30 20 DBED COCC#CCNCCNC(=O)C1(n2cnnn2)CCCCC1 1132286277 GTBCZDIBGJEWGC-UHFFFAOYSA-N 320.397 -0.312 30 20 DBED CC#CCNC[C@H]1CN(C(=O)Cn2ncn(C)c2=O)CC[C@@H]1C 1132931712 CIOUYMIINKGTIA-KBPBESRZSA-N 319.409 -0.321 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)c2nc[nH]n2)CC[C@H]1C 1133178677 VXUZXGCXFIUUFC-VXGBXAGGSA-N 318.381 -0.758 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCCNCCN(C)S(C)(=O)=O 1134053093 MVFDCCRNIHPAIO-NEPJUHHUSA-N 319.427 -0.825 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)CC1(O)CCC1 1134307739 OICOSRUVLJEKEG-QWHCGFSZSA-N 309.410 -0.086 30 20 DBED C#CCCN[C@H](C)C[C@@H](C)NC(=O)CN1CCCS1(=O)=O 1134557829 RHWSTWUOKMPOHO-CHWSQXEVSA-N 315.439 -0.082 30 20 DBED C=CCCn1cc(C(=O)NCCN[C@@H]2CCN(C)C2=O)nn1 1135075167 AIDXDSSOFVNESR-LLVKDONJSA-N 306.370 -0.596 30 20 DBED CC(C)C#CC(=O)N1CC2(CCN(CC(=O)NCC#N)C2)C1 1147498853 LDAVVFJLULXTGE-UHFFFAOYSA-N 302.378 -0.180 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC2(CN(C(=O)c3cnon3)C2)C1 1148471762 OGBFDZRFKMEZTA-NSHDSACASA-N 317.349 -0.645 30 20 DBED CCN(CC#CCOC)[C@H](C)CNC(=O)[C@@H]1COCCN1C 1152835820 WCOLSKOEOHTTAU-CABCVRRESA-N 311.426 -0.207 30 20 DBED CCN(CC#CCOC)[C@H](C)CNC(=O)[C@@H]1CCC(=O)NC1 1154119968 SRIAXIQPUGWJRB-ZIAGYGMSSA-N 309.410 -0.011 30 20 DBED CCS(=O)(=O)NCCCNCCCNC(=O)[C@@H](C)C#N 1155835576 BQBVSKBKUKVQDI-NSHDSACASA-N 304.416 -0.429 30 20 DBED C=CCNC(=O)CNCCCNC(=O)c1cc(OCC)n[nH]1 1160710707 GSKPUBLIFBQQRB-UHFFFAOYSA-N 309.370 -0.180 30 20 DBED CCN(CCC#N)C(=O)CNCCCNC(=O)c1cncn1C 1161913819 RCJJLBVQIBWYAU-UHFFFAOYSA-N 320.397 -0.108 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)[C@@H]1CCNC(=O)CC1 1163317990 KNFOEDXQZKBENK-OLZOCXBDSA-N 324.425 -0.311 30 20 DBED N#CCNC(=O)CNCC1(CCNC(=O)[C@@]23COC[C@@H]2C3)CC1 1164586494 PHNOSMJUBAAVAF-LRDDRELGSA-N 320.393 -0.461 30 20 DBED COCC#CCNCCCNC(=O)c1ccnc2c1nnn2C 1164662078 VFBGCULJHZXHLV-UHFFFAOYSA-N 316.365 -0.277 30 20 DBED C=CCN(CC=C)C(=O)CNCC1(CCNC(=O)C(N)=O)CC1 1166951747 SAJCZHBNDTZYDS-UHFFFAOYSA-N 322.409 -0.452 30 20 DBED C=CCCn1cc(C(=O)NCCCNCc2nncn2C)nn1 1167992602 ZUPVEAUQTYINQI-UHFFFAOYSA-N 318.385 -0.108 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@H]1CCC[C@@H]2CCCN21 1168030386 NVHZCMTVHCTIBJ-HUUCEWRRSA-N 320.437 -0.151 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2[nH]c(C)nc2C)[C@H]1C 1179550025 PXVBNZMGLYODMY-AAEUAGOBSA-N 317.393 -0.031 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)CSCC#N)C1 1181124579 TVYHIWHLMCCHMQ-NWDGAFQWSA-N 308.407 -0.428 30 20 DBED CC(C)C#CC(=O)N1CC[C@H](CNCC(=O)NC(N)=O)[C@@H](C)C1 1184358018 SFWTXPNNCRMCIX-QWHCGFSZSA-N 322.409 -0.085 30 20 DBED CC#CCNC[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C[C@@H]1C 1185639299 CHQCOFTZZRTFLZ-STQMWFEESA-N 320.393 -0.364 30 20 DBED C=CCCN[C@@H]1CCN(C(=O)Cn2ncn3nccc3c2=O)C1 1186030303 AVMBGENLNRKEPS-GFCCVEGCSA-N 316.365 -0.342 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC[C@@H](NCCN2CCNC2=O)C1 1188302256 XOSXGUBVKHPHJV-QWHCGFSZSA-N 310.398 -0.207 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H](C)N2CCOCC2)C1 1188475342 UAMXQHZPBWUYBR-UONOGXRCSA-N 324.425 -0.800 30 20 DBED C#CCN(C)[C@H]1CCN(C(=O)[C@@H](CCC)S(N)(=O)=O)C1 1191550277 AWSHXTPMVMLRHD-NWDGAFQWSA-N 301.412 -0.391 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(CCc2cnn(CC)c2)C[C@H]1O 1191772174 WYPCYHMTEHTQDT-HUUCEWRRSA-N 322.409 -0.191 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2nonc2C)C[C@H]1O 1192844130 JNLFLWBKFCGHLU-RAIGVLPGSA-N 308.338 -0.922 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2cn(C)nn2)C[C@H]1O 1199315359 YAYCSXASFCMZGI-RAIGVLPGSA-N 309.370 -0.933 30 20 DBED C=CCNC(=O)[C@@H](C)NC1CCN(C(=O)c2cnn[nH]2)CC1 1201428052 GUFKXTDMUCQPMX-SNVBAGLBSA-N 306.370 -0.310 30 20 DBED C#CCNC[C@@H]1CN(C(=O)c2nccnc2C(N)=O)CCCO1 1202022098 UBPLPJROMCLZSB-LLVKDONJSA-N 317.349 -0.971 30 20 DBED C=C(C)CN1C[C@@H](NC(=O)CN(C)S(C)(=O)=O)[C@H](C)C1 1207306634 KHSYVZWTMHCLIF-VXGBXAGGSA-N 303.428 -0.110 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)[C@H]2CCCNC2=O)[C@H](C)C1 1207652647 DVYBCEMIEPVJEY-FRRDWIJNSA-N 322.409 -0.749 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)C[C@H](C)CC)[C@H](OC)C1 1212183143 SWSVIMFFXQDIJM-MGPQQGTHSA-N 309.410 -0.013 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](NCc2ncccn2)[C@H](C)C1 1214472370 OCFXCTGKGURNCP-CHWSQXEVSA-N 315.377 -0.447 30 20 DBED CCCN(C)CC(=O)N1C[C@@H](NCC(=O)NCC#N)[C@H](C)C1 1216499838 TXKQEIDCRBAUGD-CHWSQXEVSA-N 309.414 -0.596 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)C2=COCCC2)C1 1219329018 ZERASNTVRBINDZ-YUTCNCBUSA-N 323.393 -0.467 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)C2CC=CC2)C1 1219401220 RUZJFVSPLRQXIF-YUTCNCBUSA-N 305.378 -0.748 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)C[C@@H](C)N2CCCCC2=O)C1 1219621047 VOHTZNFKDJBRLF-KFWWJZLASA-N 321.421 -0.038 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)c2nc(C)oc2C)C1 1220597709 NBYKVPPVOWUSAL-OLZOCXBDSA-N 307.350 -0.284 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC(CNC(=O)[C@H]2CCOC2)CC1 1222550635 GMJBBAYNIMANNU-ZFWWWQNUSA-N 321.421 -0.011 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)C2CCOCC2)CC1 1225755886 UZHGYDJBYYFCRN-UHFFFAOYSA-N 307.394 -0.257 30 20 DBED C=CCNC(=O)[C@H](C)N1CCC(NC(=O)[C@H](C)NC(C)=O)CC1 1225963926 KCZXPHWWFFZXSK-RYUDHWBXSA-N 324.425 -0.218 30 20 DBED N#CCN1CCS(=O)(=O)[C@@H](CCNC(=O)[C@@H]2CC23CC3)C1 1230502949 SWJIBDVWIQVWLS-RYUDHWBXSA-N 311.407 -0.085 30 20 DBED C=CCN1CCS(=O)(=O)[C@@H](CCNC(=O)[C@@H]2CCOC2)C1 1230516017 BQWGSDJKVSALOK-OLZOCXBDSA-N 316.423 -0.186 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N(C)CC(=O)N1CCCC1 1261988488 PDDMNZGDDLJSSA-ZDUSSCGKSA-N 323.393 -0.388 30 20 DBED C#CCCCCNC(=O)C(=O)Nc1cnn(CC(=O)N(C)C)c1 1319171523 OIXXBSSURBSXOO-UHFFFAOYSA-N 319.365 -0.171 30 20 DBED CCN(C)C(=O)[C@H](C)NC(=O)C(=O)Nc1ccn(CCC#N)n1 1320677649 ZLEXYCGCOBQDEJ-JTQLQIEISA-N 320.353 -0.282 30 20 DBED COCCOC[C@H](C)NC(=O)C(=O)N1CC[C@@](F)(C#N)C1 1323163899 KPRFCFZPIAQYSV-GXFFZTMASA-N 301.318 -0.382 30 20 DBED N#Cc1ccc(CNC(=O)C(=O)NC[C@@H]2COCCO2)cc1 1323381523 WZUKIMQVJQNIAZ-CYBMUJFWSA-N 303.318 -0.294 30 20 DBED CCN1C[C@H](C)N(C(=O)C(=O)N2CCO[C@H](C#N)C2)C[C@H]1C 1325776139 LMZIFQGOCCKPHW-FRRDWIJNSA-N 308.382 -0.322 30 20 DBED C[C@H](NC(=O)C(=O)N1CC[C@@](F)(C#N)C1)[C@@H]1CN(C)CCO1 1329664674 IFRHDKPSFGBPKP-COPLHBTASA-N 312.345 -0.714 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CC(N2CCCC2=O)C1)[C@H]1CCCO1 1333513971 RTHYUWNMYTZHER-QWHCGFSZSA-N 319.361 -0.883 30 20 DBED C=CCOCc1nnc(N(C)CCNS(C)(=O)=O)n1C 1338246429 HLYSVNGTSOKSKE-UHFFFAOYSA-N 303.388 -0.497 30 20 DBED CC(=O)NCCNC(=O)CCC(=O)NCc1ccc(C#N)cn1 1343730899 FQLQPGSJRICWEO-UHFFFAOYSA-N 317.349 -0.398 30 20 DBED C=CCN(C(=O)[C@@H](O)c1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1344741709 XJEBHWDNBBYWFV-RYUDHWBXSA-N 313.379 -0.345 30 20 DBED N#Cc1c[nH]ccc1=NC(=O)c1cn(C[C@@H]2CNC(=O)O2)nn1 1361352158 SNTXWQVGSBIIGR-VIFPVBQESA-N 313.277 -0.673 30 20 DBED CN(CCC#N)S(=O)(=O)NC[C@H]1CC[C@H](C(N)=O)CC1 1365422407 LCPPXOBFNCFWQH-XYPYZODXSA-N 302.400 -0.042 30 20 DBED N#CCC1(CS(=O)(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)CC1 1365681848 YIXODCSQJKWPLK-ZJUUUORDSA-N 301.368 -0.367 30 20 DBED C[C@@H](NCC(N)=O)[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCO1 1369148728 NRZONWHRIZFNIS-SKDRFNHKSA-N 305.338 -0.809 30 20 DBED C[C@@H](CNCC(=O)Nc1nncs1)CNC(=O)[C@@H](C)C#N 1373991486 VXGUQJBLSFQJPX-IUCAKERBSA-N 310.383 -0.022 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN([C@@H](C)C(=O)NC2CCCC2)C1 1376139525 DFVBIBMCJASDMD-RYUDHWBXSA-N 322.409 -0.244 30 20 DBED COc1c[nH]c(C(=O)NC[C@H](C)NC(=O)[C@@H](C)C#N)cc1=O 1386928371 FZZORXSIUZKHRZ-IUCAKERBSA-N 306.322 -0.222 30 20 DBED CCN(CCNC(=O)[C@H](C)C#N)C(=O)C[C@H]1CCN(C)C1=O 1398132373 DXCZIFFKBKYTGJ-VXGBXAGGSA-N 308.382 -0.021 30 20 DBED COc1cnc(C(=O)N2CC[C@@H](NC(=O)[C@H](C)C#N)C2)nc1 1407129225 PPMVZZUXWPLELS-NXEZZACHSA-N 303.322 -0.024 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1)NC(=O)c1cc(C#N)c[nH]1 1408252990 PVEXQPDGIWLEJX-WPRPVWTQSA-N 303.322 -0.601 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CCCN(C(=O)CCn2cnnn2)C1 1409021708 YUPYQWQLMOQYLS-MNOVXSKESA-N 305.342 -0.670 30 20 DBED COC[C@H](OC)C(=O)NC1(CNC(=O)c2cc(C#N)c[nH]2)CC1 1410698512 HMVCWHIPEHUSGC-LBPRGKRZSA-N 320.349 -0.074 30 20 DBED CC[C@@H]1CO[C@H](C)CN1C(=O)Cn1cc(C#N)c(O)nc1=O 1411829392 JGUXQBIMTYNKFX-MWLCHTKSSA-N 306.322 -0.154 30 20 DBED COCCn1cc(C(=O)NCC[C@@H](C)NC(=O)[C@H](C)C#N)nn1 1415388647 ISIVLRDCALKXBZ-GHMZBOCLSA-N 322.369 -0.291 30 20 DBED C[C@@H](C#N)C(=O)N(C)C[C@H]1CCN(C(=O)c2cnn(C)n2)C1 1415948151 QGPFBUFBRQMEIS-WDEREUQCSA-N 304.354 -0.105 30 20 DBED Cc1nn(C)c(=O)c(C(=O)N[C@@H](C)CNC(=O)[C@H](C)C#N)c1C 1416928075 GKKAFWPSIMDNCQ-BDAKNGLRSA-N 319.365 -0.209 30 20 DBED C[C@@H]1CC[C@@H](C)N1CC(=O)NCCn1cc(C#N)c(O)nc1=O 1418528753 GULXSVZWZWMDKB-GHMZBOCLSA-N 319.365 -0.190 30 20 DBED N#Cc1cn(CCNC(=O)c2cnn3c2CCC3)c(=O)nc1O 1418535798 AUIPYSLHNGFIKN-UHFFFAOYSA-N 314.305 -0.607 30 20 DBED N#C[C@H]1CN(S(=O)(=O)NCc2cnc(Cl)cn2)CCO1 1424709681 ZVIUMBDKCULHDW-VIFPVBQESA-N 317.758 -0.311 30 20 DBED C[C@@]1(C(=O)NC[C@@H](O)CNC(=O)c2cc(C#N)c[nH]2)CCOC1 1452327987 JQOTYNGGLKNKKL-XHDPSFHLSA-N 320.349 -0.480 30 20 DBED CNC(=O)NCCC(=O)N[C@H]1[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]21 1454502826 WZEQOMDAGSVIQK-SVDPJWKOSA-N 307.354 -0.962 30 20 DBED C[C@@H](CN(C)C(=O)c1cccn2nnnc12)NC(=O)[C@H](C)C#N 1487789513 MGFRDNDADRQMND-ZJUUUORDSA-N 315.337 -0.139 30 20 DBED C=CCCOCC(=O)N[C@@H]1CCCN(CC(=O)NCC#N)C1 1494301442 LFKACYFFJYCMGB-CYBMUJFWSA-N 308.382 -0.201 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)[C@@H]2CCNC(=O)CC2)C1 1494718608 QGJBYPYGKVUKPZ-STQMWFEESA-N 322.409 -0.605 30 20 DBED C=C(C)Cn1c(N2CCNC(=O)C2)nnc1[C@]1(C)CNC(=O)C1 1524379964 NPQKZPIBQUPAFL-HNNXBMFYSA-N 318.381 -0.432 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)c2cccc(O)n2)C1 1567871583 UEQDHVYFKTVCGY-NSHDSACASA-N 304.350 -0.107 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)C[C@H]1CCCN1C(=O)CNC(=O)O 1573311857 ZMUPTBHJLJDNMZ-VXGBXAGGSA-N 324.381 -0.685 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC[C@@](C)(NC(=O)CNC(=O)O)C1 1573368458 MEDKQFYCEZBRRA-IINYFYTJSA-N 313.354 -0.048 30 20 DBED CCN(CCC#N)S(=O)(=O)N[C@H]1CN(C(=O)O)C[C@@H]1CO 1573770870 CRZQTZHMEBLWAQ-ZJUUUORDSA-N 320.371 -0.973 30 20 DBED N#Cc1ccc2c(c1)CCN[C@H]2C(=O)N1C[C@@H](CO)[C@@H](CO)C1 1580071896 FZOHZCASYAQDBU-IJEWVQPXSA-N 315.373 -0.196 30 20 DBED C#CCN1CCN(Cn2ccc(C)c(-c3nn[nH]n3)c2=O)CC1 1588353130 HMTRFVYHLFBINE-UHFFFAOYSA-N 313.365 -0.455 30 20 DBED C#CCN(CC(=O)O)C(=O)C(=O)Nc1cccc(C(N)=O)c1C 1588394435 CSONDKQFUUVFMP-UHFFFAOYSA-N 317.301 -0.421 30 20 DBED C#CCN(CC(=O)O)c1nnnn1C[C@@H]1CCOC[C@H]1OC 1588427181 PQMHIRSQYKHTOJ-WDEREUQCSA-N 309.326 -0.751 30 20 DBED N#CC1(NC(=O)COC(=O)c2cnc(C(=O)O)cn2)CCC1 1594603159 ZRNMZWDAASJRME-UHFFFAOYSA-N 304.262 -0.106 30 20 DBED N#CCN(CCC(=O)O)C(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 1601072414 TZOBYVIZFJSWSI-UHFFFAOYSA-N 316.273 -0.343 30 20 DBED C/N=C(/NC[C@H](C)C(=O)O)N1CCS(=O)(=O)C(C)(C)C1 1606258905 IRTQFWSNISHDOV-VIFPVBQESA-N 305.400 -0.209 30 20 DBED O=C(O)CCOc1ccc(S(=O)(=O)NCC#CCO)cc1 1608732404 ONOOYYMRVVSKBR-UHFFFAOYSA-N 313.331 -0.186 30 20 DBED N#Cc1ccnc(C(=O)NCCn2cnc(-c3nn[nH]n3)n2)c1 1609500790 YDTREGRYKKCITF-UHFFFAOYSA-N 310.281 -0.845 30 20 DBED CCN(C[C@@H](C)C#N)C(=O)CN1CCN(C)C[C@@H](C(=O)O)C1 1609994235 VOGYLSHLRSYWIU-QWHCGFSZSA-N 310.398 -0.057 30 20 DBED N#Cc1cccc(CNC(=O)CS(=O)(=O)c2nc[nH]n2)c1 1649717537 LXQYMWSCJJUXRS-UHFFFAOYSA-N 305.319 -0.234 30 20 DBED C=CCN(CCCNC(=O)CN1CCN(C)C(=O)C1)C1CC1 1752266086 CGKGSRFYHZPNID-UHFFFAOYSA-N 308.426 -0.083 30 20 DBED Cn1ccc(CC(=O)NC[C@@H](NCC(=O)NCC#N)C2CC2)n1 1752463386 KUTWPFMYRRYZJP-CYBMUJFWSA-N 318.381 -0.913 30 20 DBED Cn1cc(C(=O)N2CCC[C@@H](CNCC#N)C2)c(=O)n(C)c1=O 1752808227 WUNCRAHHAYWNPQ-NSHDSACASA-N 319.365 -0.951 30 20 DBED C=CCNC(=O)CN(C)CCNC(=O)c1ccc(C(N)=O)s1 1753066797 BCVGYDHELHHQFS-UHFFFAOYSA-N 324.406 -0.189 30 20 DBED CO[C@H](CC(C)C)C(=O)NCC1CN(CC(=O)NCC#N)C1 1753409326 ODUZLDKWQHPSEZ-CYBMUJFWSA-N 310.398 -0.265 30 20 DBED C=CCN1CCO[C@H](CNC(=O)CN2CCCS2(=O)=O)C1 1753654666 AJNPGHKMZYVAFR-GFCCVEGCSA-N 317.411 -0.975 30 20 DBED C[C@@H](CS(C)(=O)=O)C(=O)NC[C@@H]1CN(CC#N)CCO1 1753658290 OTKPOHPEPWXJIF-WDEREUQCSA-N 303.384 -0.992 30 20 DBED N#CCN1CC2(CCN(C(=O)CCCS(N)(=O)=O)CC2)C1 1753675144 SYAKLWFWMZKQAS-UHFFFAOYSA-N 314.411 -0.497 30 20 DBED C#CCNC(=O)CNC[C@H](C)N(C)C(=O)c1ccc(OC)nn1 1753719378 DHQPDWRWALQJPD-NSHDSACASA-N 319.365 -0.715 30 20 DBED N#CCNC(=O)CNC[C@@H](NC(=O)c1ccccn1)C1CC1 1754432067 AWUBHLXRQUVBCI-CYBMUJFWSA-N 301.350 -0.181 30 20 DBED C=CCNC(=O)CNC[C@H](NC(=O)C12CCN(CC1)C2)C1CC1 1754458071 YEWAINGDRAVOHA-AWEZNQCLSA-N 320.437 -0.131 30 20 DBED C[C@H]1CN(C(=O)C2=COCCO2)C[C@H]1CNCC(=O)NCC#N 1754809531 UPLPXZBSYKFSRP-NWDGAFQWSA-N 322.365 -0.802 30 20 DBED C=CC(C)(C)C(=O)N[C@H]1COC2(C1)CN(Cc1nnnn1C)C2 1755063152 KEUCXYWQJANVND-LLVKDONJSA-N 320.397 -0.118 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)Cc2cccnc2)C[C@@H]1C 1755107862 VKPLBDYTVVGCRB-DZGCQCFKSA-N 314.389 -0.190 30 20 DBED C#CCCNCC1(O)CCN(C(=O)[C@@H](C)[C@H]2CCC(=O)N2)CC1 1755153334 XZBPYJTVDQNMHQ-UONOGXRCSA-N 321.421 -0.133 30 20 DBED CNC(=O)NCCC(=O)N[C@H]1CCN(CC#CCOC)[C@@H](C)C1 1755159273 FPKQYOKJLLGMOI-KBPBESRZSA-N 324.425 -0.076 30 20 DBED CCN1C[C@@H](C(=O)NC2CC(CNCC#CCOC)C2)CC1=O 1755212233 KFHMTRLKZUFDCS-SLTAFYQDSA-N 321.421 -0.011 30 20 DBED Cc1nocc1C(=O)NC1CC(CNCC(=O)NCC#N)C1 1755216887 QRGJZNNZGZTDKW-UHFFFAOYSA-N 305.338 -0.279 30 20 DBED CN(C)CCC(=O)N(C)C1CCC(NCC(=O)NCC#N)CC1 1755274902 JPPVBCCZNARXHU-UHFFFAOYSA-N 323.441 -0.063 30 20 DBED C=CCCN1CC(CCO)(NC(=O)[C@H]2CCN(C)C(=O)C2)C1 1755332873 PLBHFHBXWNWYMB-ZDUSSCGKSA-N 309.410 -0.016 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC([C@@H](C)NC(=O)c2cnco2)C1 1755382448 OIRLBQVZIMZJKB-GHMZBOCLSA-N 304.350 -0.137 30 20 DBED C#CCN[C@@H]1C[C@@H](C)N(C(=O)CCCn2c(O)nnc2O)C1 1755680207 DVHBPCRIAXMNDS-GHMZBOCLSA-N 307.354 -0.318 30 20 DBED C#CCNC(=O)CN1CCC[C@@H](NC(=O)c2nonc2C)[C@H]1C 1755723534 QQGUQDJZHBKPMJ-VXGBXAGGSA-N 319.365 -0.290 30 20 DBED COCC#CCN1CC=C(CNC(=O)[C@H]2CC[C@@H]2C(N)=O)CC1 1755890747 KPBUHRALJPXMHK-GJZGRUSLSA-N 319.405 -0.104 30 20 DBED C=C(C)CCC(=O)N1CC([C@H](C)NC(=O)Cn2cnnn2)C1 1756127111 PVAXGYAAZZHXSB-NSHDSACASA-N 306.370 -0.008 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@H](CO)NC(=O)c1ncccc1O 1756515472 MHTYRLHYCSPPHI-MEBBXXQBSA-N 323.349 -0.679 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@H](O)CN(C)C(=O)c1ccon1 1756653945 OBYDXPRFXVQHSA-QMTHXVAHSA-N 311.338 -0.449 30 20 DBED C=CC(C)(C)C(=O)NC[C@H](O)CN(C)C(=O)c1cn(C)nn1 1756660986 PUGXAXAQKLWISX-JTQLQIEISA-N 309.370 -0.424 30 20 DBED C=CCOCC(=O)N[C@H]1C[C@@H](NC(=O)CNC(C)=O)C12CCC2 1757044492 YQROBHVEVIUOSC-OLZOCXBDSA-N 323.393 -0.131 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCCCN1C 1793001612 QEZYPQWWJQDQTB-HLPPOEQASA-N 319.405 -0.307 30 20 DBED C/C=C(\C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800778866 IVUXWRXBFOQBNK-CSTSAKJTSA-N 320.345 -0.370 30 20 DBED C=CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncn(C)n1)C2 1800997588 MKBFYZAJQZGUMW-PTEHBNRSSA-N 319.365 -0.406 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=COCCC1 1801048159 JXTOUAUGVFANKS-AGGWBTHJSA-N 304.346 -0.097 30 20 DBED C#CC(=O)NC[C@@H]1CCN(C(=O)[C@@H](N)CN)[C@H]1c1cccnc1 1812527929 YELAWDYZWMTAML-YDHLFZDLSA-N 315.377 -0.993 30 20 DBED C#CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1CCSCC1 1847247265 ZFYAFVRHNWLGOG-STQMWFEESA-N 307.419 -0.130 30 20 DBED COCCN(CCC#N)S(=O)(=O)c1[nH]nc(C)c1C(=O)O 70446662 AMMMDVYQFUGDJM-UHFFFAOYSA-N 316.339 -0.033 30 20 DBED C=C(Br)CNC(=O)NCCN1C(=O)CNC1=O 113383473 IGIJMRPFQVGHOZ-UHFFFAOYSA-N 305.132 -0.254 30 20 DBED CCN(C[C@H](C)C#N)C(=O)Cn1cc(C(C)=O)c(=O)n(C)c1=O 129473837 ZQXOKJKTLUVDIG-SNVBAGLBSA-N 320.349 -0.242 30 20 DBED COC(=O)C[C@H]1CCCN1c1c(C#N)c(=O)n(C)c(=O)n1C 178851326 WQAXKWODDGQNMB-SECBINFHSA-N 306.322 -0.512 30 20 DBED N/C(=N/C[C@H](O)C(F)(F)F)N1CCN(c2ncccn2)CC1 261977047 GNCWWSCIXJQVSF-VIFPVBQESA-N 318.303 -0.164 30 20 DBED C[C@H](C#N)CN(C)C(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 266310823 WQBYVUHRAKURPV-NPNZPCOPSA-N 305.334 -0.233 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N(C)CCS(=O)(=O)CC 270369677 HKMFLCOTNNCESY-SNVBAGLBSA-N 305.400 -0.247 30 20 DBED C#CCN(C(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)C1CC1 274018831 BKIBZVOYDWIMGX-DGCLKSJQSA-N 324.402 -0.354 30 20 DBED N#C[C@@H]1COCCN1C(=O)[C@@H](O)[C@H](O)c1nc2ccccc2[nH]1 275750857 UNGPDQGIQSLPDB-ICCXJUOJSA-N 316.317 -0.292 30 20 DBED COc1ccc(C#N)cc1NC(=O)C(=O)N1C[C@H](O)[C@H](O)C1 277504047 KLVYBGOQTGXPHI-PHIMTYICSA-N 305.290 -0.931 30 20 DBED N#Cc1ccc(CS(=O)(=O)NCCC(=O)NC(N)=O)cc1 288210536 CZSHFCSLRUEUQP-UHFFFAOYSA-N 310.335 -0.437 30 20 DBED C#CCN(C)CCCNS(=O)(=O)c1cc(C(N)=O)n(C)c1 293838539 QIMJHLFAEOFVSF-UHFFFAOYSA-N 312.395 -0.643 30 20 DBED C=CCN(CC=C)[C@H](CNC(=O)[C@@H](CO)NC(N)=O)C(C)C 295015142 YFBMZEYVFJQUFB-CHWSQXEVSA-N 312.414 -0.170 30 20 DBED COC(=O)[C@H]1C[C@H](O)CN1S(=O)(=O)Cc1ccc(C#N)cc1 317568460 VZIGSTLATPGGTO-QWHCGFSZSA-N 324.358 -0.004 30 20 DBED O=S1(=O)C[C@@H](N2CCOCC2)[C@@H](/N=C(/O)c2cnc[nH]2)C1 329171966 KHUDHDFAVNUQLO-WDEREUQCSA-N 314.367 -0.788 30 20 DBED C[C@H](N/C(O)=N/C[C@H]1CN(C)CCN1C)C(=O)N1CCCC1 329307578 PRUJCCHPGYDXGQ-STQMWFEESA-N 311.430 -0.253 30 20 DBED CN(C)S(=O)(=O)[C@H]1CCCN(/C(O)=N/[C@@H]2[C@H]3COC[C@H]32)C1 329526712 TWEJIOMURBVVGL-NNYUYHANSA-N 317.411 -0.099 30 20 DBED O=S1(=O)CCCC[C@H]1/C(O)=N/CCN1CCCS1(=O)=O 329554964 DPKUDQOMBCEXFW-JTQLQIEISA-N 324.424 -0.054 30 20 DBED O=C1CCCN1[C@@H]1CCN(/C(O)=N/CCN2CCOCC2)C1 330038967 BSTSRHUTCBXZCV-CYBMUJFWSA-N 310.398 -0.071 30 20 DBED Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N[C@H](C)C#N 330910575 VMTGPBIJJUZLRW-APPZFPTMSA-N 313.383 -0.268 30 20 DBED CN(CC(=O)OC(C)(C)C)S(=O)(=O)N1CCO[C@@H](C#N)C1 336917014 MZUMTQSAODKVJX-JTQLQIEISA-N 319.383 -0.271 30 20 DBED CN(CC1(O)CCCC1)S(=O)(=O)N1CCO[C@H](C#N)C1 336956009 YZVAWJBGKACNMQ-LLVKDONJSA-N 303.384 -0.308 30 20 DBED C[C@@H](CO)N1CCCN(S(=O)(=O)N(C)[C@H](C)CC#N)CC1 337770906 OEHXZCYIAWQZSP-OLZOCXBDSA-N 318.443 -0.146 30 20 DBED COC(=O)CNC(=O)CN1CCN(c2cc(C#N)ccn2)CC1 338416749 ITVNUHHSMNPJCM-UHFFFAOYSA-N 317.349 -0.636 30 20 DBED CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)NCC#N)cc1 339925595 AYSWCYIPCWUUGI-UHFFFAOYSA-N 324.362 -0.047 30 20 DBED COC(=O)c1cn(CCNC(=O)c2cnn(C)c2C#N)nn1 341732474 XIDQFKKIUDBBLW-UHFFFAOYSA-N 303.282 -0.900 30 20 DBED C=CC[C@H](CO)CNC(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 341826980 TZCMXIQZKIZLNZ-NWDGAFQWSA-N 319.427 -0.106 30 20 DBED CCNC(=O)CN1CCN(C(=O)C(=O)NCCCCC#N)CC1 343140785 PGABDRWLCZDNTH-UHFFFAOYSA-N 323.397 -0.923 30 20 DBED C[C@@H](NC(=O)NCC(=O)NCC#N)C(=O)N1CCCC[C@H]1C 344606418 NFUGFMVBCRERKG-GHMZBOCLSA-N 309.370 -0.285 30 20 DBED CC(=O)N1CCN(C(=O)[C@H](C)n2nc(C)c(C#N)c2N)CC1 348808130 ZNELFRQCAUUTNK-JTQLQIEISA-N 304.354 -0.103 30 20 DBED CC[C@@](C)(C#N)C(=O)N1CCC[C@H](CNS(N)(=O)=O)C1 349802930 LYKIQWZZOSCRKG-PWSUYJOCSA-N 302.400 -0.042 30 20 DBED C=CCOC[C@H](NS(=O)(=O)c1c(C)cnn1C)C(=O)OC 352063942 RNIRBUGFEQCLBG-JTQLQIEISA-N 317.367 -0.249 30 20 DBED COC(=O)[C@H](O)CNS(=O)(=O)c1c(F)cc(C#N)cc1F 352070623 UXFBAWDHORRQOG-SECBINFHSA-N 320.273 -0.351 30 20 DBED CN(C(=O)C(=O)Nc1ccc(C#N)c(F)c1)[C@H]1CCNC1=O 354476818 SHZSEKCXWMWHAU-NSHDSACASA-N 304.281 -0.017 30 20 DBED C[C@H](CC#N)N(C)C(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 354916313 SFPGVYNCQHJPPZ-ZIAGYGMSSA-N 322.409 -0.072 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N[C@@H]2CCCC[C@H]2CN)nn1 424553054 YSVWDXMKNANCJC-WCQYABFASA-N 320.397 -0.286 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(C)CCCC(=O)O)C1=O 427729984 XWKDTNPLSCXVSR-UHFFFAOYSA-N 311.294 -0.714 30 20 DBED C=CCOC[C@@H](NC(=O)C1(S(C)(=O)=O)CC1)C(=O)OC 435939677 VFTQMBGYMMMXGD-SECBINFHSA-N 305.352 -0.576 30 20 DBED C#CCNC(=O)C1CCN(C[C@@H](O)CO[C@@H](C)COC)CC1 491106689 YTVBNJSERLRVBK-DZGCQCFKSA-N 312.410 -0.140 30 20 DBED C#CCNC(=O)CN1CCN(CC2(CC(=O)OC)CC2)CC1 491495210 HJSWMAKIJFZVEJ-UHFFFAOYSA-N 307.394 -0.303 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1 527558853 VEVAGVYUHYIKBF-ZIAGYGMSSA-N 324.425 -0.848 30 20 DBED C=CCOC[C@@H](NC(=O)[C@@H]1CC(=O)N(C2CC2)C1)C(=O)OC 582820402 BQSHAWQRLLONHI-ZYHUDNBSSA-N 310.350 -0.142 30 20 DBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 583672366 MMTWXRKXIGSYFX-SRVKXCTJSA-N 322.365 -0.087 30 20 DBED C[C@@H](CCO)NC(=O)CNS(=O)(=O)c1cccc(C#N)c1 589451822 CJSSCNMHXZQVBB-JTQLQIEISA-N 311.363 -0.276 30 20 DBED N#CC1CN(C(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)C1 590487724 UFZRUUDZPURMAB-AAXDQBDMSA-N 303.318 -0.479 30 20 DBED CC#CC[C@H](NS(=O)(=O)N(CCC#N)CCOC)C(=O)O 593265014 ZKSZCXQKERGKQH-NSHDSACASA-N 317.367 -0.451 30 20 DBED CC(C)NS(=O)(=O)NCCNC[C@H](O)CC(C)(C)C#N 598723464 IEFJGWRQYDGBNU-LLVKDONJSA-N 306.432 -0.291 30 20 DBED N#Cc1ccccc1OC[C@@H](O)CNCCN1CCNC(=O)C1 600736070 QGAODQBQQVNTPE-AWEZNQCLSA-N 318.377 -0.681 30 20 DBED CNS(=O)(=O)NC1CCN(Cc2cccc(C#N)n2)CC1 602639156 UXYGGSIPLPLQTJ-UHFFFAOYSA-N 309.395 -0.029 30 20 DBED C=CCC1(O)CN(C(=O)C2CCN(S(C)(=O)=O)CC2)C1 720879963 BSRUZYWHSJFRMU-UHFFFAOYSA-N 302.396 -0.193 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H](S(=O)(=O)NC)C1 733276855 CJBZXJPUNILRPL-OLZOCXBDSA-N 313.423 -0.376 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)[C@H]1CCCCN1C(C)=O 756237914 WRJQWNDODBAKPQ-LLVKDONJSA-N 311.338 -0.058 30 20 DBED N#Cc1cccnc1NCCNC(=O)C(=O)N1CCC[C@@H](O)C1 774176713 LBGFOAZWOSKMNR-GFCCVEGCSA-N 317.349 -0.535 30 20 DBED C=CCOCC(=O)NS(=O)(=O)c1c(C)nn(C)c1OC 778844355 NMWXMWYXVBWOSU-UHFFFAOYSA-N 303.340 -0.255 30 20 DBED C#CCNC(=O)CN1C(=O)NC2(CCC3(CC2)OCCO3)C1=O 804911269 NEFJKVFCWMZLQJ-UHFFFAOYSA-N 321.333 -0.657 30 20 DBED C#CCCCS(=O)(=O)NCCCN(C)S(=O)(=O)CC 804949874 FOQXTSQQCPVFFS-UHFFFAOYSA-N 310.441 -0.009 30 20 DBED C#CC[C@H](CO)NC(=O)[C@H](C)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 820059920 PSWDNYDTCCBREQ-PQWUQFFPSA-N 320.345 -0.962 30 20 DBED CC(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1cn(CC(=O)O)nn1 833386513 LRUVQMZREBUHAZ-AOOOYVTPSA-N 305.342 -0.053 30 20 DBED C#CCCN(CCOC)S(=O)(=O)N1CCO[C@H](C#N)C1 851877712 PSDPJEVQJOLUNY-GFCCVEGCSA-N 301.368 -0.573 30 20 DBED C#CC[C@@H](CCOC)NC(=O)NCCS(=O)(=O)NCC 858207575 JHMGEJMILQCSKM-NSHDSACASA-N 305.400 -0.347 30 20 DBED C#CC[C@H](CCOC)NC(=O)N1CCC[C@@H](S(N)(=O)=O)C1 859019484 RLUAZFUMNSFOLJ-VXGBXAGGSA-N 317.411 -0.123 30 20 DBED N#CCOc1cc(F)ccc1NC(=O)C(=O)N1C[C@H](O)[C@@H](O)C1 861985897 IXPIYQYVPCKBJU-QWRGUYRKSA-N 323.280 -0.769 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)NCc1cnn(C)c1C 875199638 PSOGZCUAVFRDOQ-CYBMUJFWSA-N 306.366 -0.111 30 20 DBED C#CC1(O)CN(C(=O)NCc2ccnc(N3CCOCC3)c2)C1 891830214 WOXBIMRHQKAQHE-UHFFFAOYSA-N 316.361 -0.192 30 20 DBED Cn1cc(C(=O)N(CCC#N)CCN2CCOCC2)n(C)c1=O 900456727 OKSYBUBAQJBGSE-UHFFFAOYSA-N 321.381 -0.588 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NN2CCCC[C@H]2C)C1=O 912153117 MYUCKLAAVIHQBM-SNVBAGLBSA-N 308.338 -0.131 30 20 DBED O=C(NCC#CCO)N[C@@H]1CCCN(CC(F)(F)F)C1=O 923777075 WWPTYLNAWBFKEG-SECBINFHSA-N 307.272 -0.165 30 20 DBED C=C(C)CN1CCC(NC(=O)C(=O)NC[C@@H]2CCN2C)CC1 930010906 WNEHMCLKIIVARU-AWEZNQCLSA-N 308.426 -0.037 30 20 DBED COc1nccc(C(=O)N[C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)n1 941828598 ABFRDJLWSFNBPM-VHSXEESVSA-N 303.322 -0.024 30 20 DBED C[C@H]1CN(C(=O)C(N)=O)CC[C@@H]1NC(=O)c1cc(C#N)c[nH]1 945485482 STLAUKLJSQIXCZ-WPRPVWTQSA-N 303.322 -0.662 30 20 DBED C#Cc1ccccc1CC(=O)N[C@@H]1[C@H]2C[C@H]1N(C(=O)C(N)=O)C2 947687853 LBHQFQKGUBQBQY-GZBFAFLISA-N 311.341 -0.589 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CN2CC(=O)NC2=O)C[C@@H]1C 947818708 APMAVZIDJBPEKQ-NWDGAFQWSA-N 306.366 -0.469 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCN(Cc2cn(C)nn2)CC1 948825619 JIVDJCPYVUBXTG-HNNXBMFYSA-N 316.409 -0.443 30 20 DBED COc1cncc(C(=O)NC[C@@H]2CCN2C(=O)[C@H](C)C#N)n1 949942429 QIEIBIDABWCZRK-ZJUUUORDSA-N 303.322 -0.024 30 20 DBED C[C@H](C#N)C(=O)N1CC(N(C)C(=O)[C@@H]2CCS(=O)(=O)C2)C1 954756302 UUAPCNKOEGSNNB-NXEZZACHSA-N 313.379 -0.750 30 20 DBED CC#CCN1C[C@H](O)[C@H](CNC(=O)c2cc(OC)ncn2)C1 958072644 DHUIATDGBBUALI-YPMHNXCESA-N 304.350 -0.469 30 20 DBED N#CCN1C[C@H](CNC(=O)c2cnn3ncccc23)[C@@H](O)C1 958136184 ZSORZDDWASTXEW-GWCFXTLKSA-N 300.322 -0.725 30 20 DBED C=CCN1CC[C@H](N2C[C@@H]3C(NC(=O)c4cn[nH]c4)[C@H]3C2)C1=O 958311199 JYSASNMIBBBLKV-AVGNSLFASA-N 315.377 -0.143 30 20 DBED Cc1cc(C(=O)NC[C@@H]2CN(CC#N)C[C@H]2O)ncc1C(N)=O 958410167 YZZRUGKHOJBSOK-ZWNOBZJWSA-N 317.349 -0.965 30 20 DBED CC#CCN1C[C@@H](O)[C@H](CNC(=O)c2cn(CCC)nn2)C1 958552214 RBGGANZEEVMMNI-TZMCWYRMSA-N 305.382 -0.266 30 20 DBED C#CCN1CCC(C(=O)NC[C@@H]2CN(CCOC)C[C@@H]2O)CC1 958724363 OCYYJYSRJHNQBW-CVEARBPZSA-N 323.437 -0.613 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cc2ccnn2C)C1 958834308 POYCBYRGDDLHDN-WXHSDQCUSA-N 319.365 -0.848 30 20 DBED C#CCN1C[C@H]2[C@H](NC(=O)c3ccn(CCN(C)C)n3)[C@H]2C1 959951618 IXBALIOTOXUKFM-NHAGDIPZSA-N 301.394 -0.262 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cnn[nH]1 960612624 NHTOGUAIBJMHMP-DVVUODLYSA-N 304.310 -0.984 30 20 DBED CCn1ncc(C(=O)N2C[C@@H]3CN(C(=O)[C@@H](C)C#N)C[C@@H]3C2)n1 961511895 CEYISGCSZNSDPJ-SDDRHHMPSA-N 316.365 -0.012 30 20 DBED C=C(Cl)CN1C[C@H]2C(NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)[C@@H]2C1 961747482 VLVUJXKECYUPIW-CHWFTXMASA-N 313.785 -0.182 30 20 DBED Cc1cc(CC(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2O)no1 961933399 BGSRNRRZPRJFCO-KGLIPLIRSA-N 317.345 -0.373 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(C[C@@H](NC(=O)c3cn[nH]c3)CO2)C1 965651380 VZUVLQNWQCPRIX-GXSJLCMTSA-N 303.322 -0.331 30 20 DBED C[C@@H](NC(=O)[C@@H]1CCc2nnc(O)n2C1)C1CN(CC#N)C1 969991756 HCJVWQOGHTUNNU-NXEZZACHSA-N 304.354 -0.494 30 20 DBED N#CCN1C[C@H]2CC[C@H]1CN2C(=O)c1cnn2c(=O)cc[nH]c12 971897269 HQMVZOCTUCTFJY-WDEREUQCSA-N 312.333 -0.165 30 20 DBED C=CCCN1C[C@H]2C(CNC(=O)c3nnc(O)nc3O)[C@@H]2C1 978411267 JUFSUMLTWLIOKS-UWVGGRQHSA-N 305.338 -0.234 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)C(N)=O)C1 978865362 AKOJZYKYPUGTQW-KXNHARMFSA-N 309.366 -0.536 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H](N(C)C(=O)Cn2cncn2)C1 984595933 WYFCTEQXXMLMAX-NWDGAFQWSA-N 304.354 -0.113 30 20 DBED C[C@H]1[C@H](NCc2nnnn2C)CCN1C(=O)c1cc(C#N)c[nH]1 986133555 NIPAYKOLRPRLFD-GXSJLCMTSA-N 314.353 -0.197 30 20 DBED Cc1ncc(C(=O)N[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]2O)[nH]1 991340319 HHCJAPGWDPJYSL-OCCSQVGLSA-N 316.361 -0.177 30 20 DBED C=CCCn1cc(C(=O)N[C@H]2CCN(C(C)=O)C[C@@H]2O)nn1 991496529 DOGZXVIJUSXOPO-AAEUAGOBSA-N 307.354 -0.434 30 20 DBED C=CCN1CC[C@H](N2CC[C@]3(NC(=O)C(N)=O)CCC[C@H]23)C1=O 992139669 CHHYAORPGHJFII-MQIPJXDCSA-N 320.393 -0.628 30 20 DBED C#Cc1cncc(C(=O)N2CC(NC(=O)c3cnnc(O)c3)C2)c1 994049733 PWTWRNFXPMSYQY-UHFFFAOYSA-N 323.312 -0.187 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N2C[C@H](NC(C)=O)CC2=O)C1 995464127 OUOVXDNUDASLKH-BNOWGMLFSA-N 321.377 -0.475 30 20 DBED C#Cc1ccc(C(=O)N2CC(NC(=O)c3[nH]nnc3C)C2)cn1 997340928 YIDCBQRIEAXRSK-UHFFFAOYSA-N 310.317 -0.256 30 20 DBED N#Cc1cc(C(=O)N2CC(NC(=O)[C@@]3(F)CCOC3)C2)c[nH]1 998137066 UHKLGXWAHSKAMM-CQSZACIVSA-N 306.297 -0.044 30 20 DBED C=CCn1cc(C(=O)N2CCC[C@H](N[C@H](C)C(N)=O)C2)nn1 1000401624 FWKSUFXDYKYOQJ-MNOVXSKESA-N 306.370 -0.468 30 20 DBED C[C@@H](C#N)C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cn1cncn1 1000618930 NYXQMJKCWXUGMP-USZNOCQGSA-N 302.338 -0.314 30 20 DBED COCCn1cc(C(=O)NCC2=CCN(CC#N)CC2)nn1 1000667234 QIVRKGYNNCUIBR-UHFFFAOYSA-N 304.354 -0.190 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCCN(CC(=O)NC)C1 1007519307 NYECTVMWSMVOIE-KGLIPLIRSA-N 306.410 -0.589 30 20 DBED C#CCN1CCC(C(=O)N[C@@H]2CCCN([C@H](C)C(N)=O)C2)CC1 1009625601 FRIDTNMUACQTEY-UKRRQHHQSA-N 320.437 -0.214 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C(=O)[C@@]2(C)CCC(=O)NC2)CC1 1012108610 ZUVSUNJKROZNQF-NHYWBVRUSA-N 306.366 -0.267 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C(=O)CCc2cnn(C)n2)CC1 1012333434 ZALLQGHFNDOCQZ-LLVKDONJSA-N 304.354 -0.422 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@H]2N(C(=O)C(N)=O)C3)[nH]1 1026054482 BVORLEOMEQGFGS-GGZOMVNGSA-N 315.333 -0.519 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1[C@@H]2CN([C@H](CC)C(N)=O)C[C@@H]21 1026055091 XSZYIXAKOKLRQH-PRFQISJJSA-N 307.394 -0.112 30 20 DBED N#Cc1cc(C(=O)NC[C@@H]2CCCN2[C@@H]2CCNC2=O)c[nH]1 1027833251 OVCIPSBPSMYSQL-QWHCGFSZSA-N 301.350 -0.031 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)Cc3cc[nH]n3)C2)C1=O 1030175999 GYWAGMQCACXVKN-ZDUSSCGKSA-N 303.366 -0.461 30 20 DBED CCN(C(=O)c1cn(C)c(=O)n(C)c1=O)[C@@H]1CCN(CC#N)C1 1033980735 ZAZVVIUETKKJIZ-LLVKDONJSA-N 319.365 -0.856 30 20 DBED C=C(C)CN1CCCC[C@@H](NC(=O)CN2CCNC(=O)C2)C1 1034342233 MVRLINJWYVSOSW-CQSZACIVSA-N 308.426 -0.035 30 20 DBED CCC(=O)N1CC[C@@H](C(=O)NC[C@@H]2CN(CC#N)CCO2)C1 1035570912 UBJUIESGFMCVFL-CHWSQXEVSA-N 308.382 -0.415 30 20 DBED N#CCN1CC[C@@H]2CN(C(=O)c3nccnc3C(N)=O)CC[C@@H]21 1036889560 CMDXAMYYMTWXOK-MNOVXSKESA-N 314.349 -0.365 30 20 DBED CC#CCN1CC[C@H]1CNC(=O)[C@@H]1CCc2nnc(O)n2C1 1038422041 MWGUGSRUWVTZES-NEPJUHHUSA-N 303.366 -0.240 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2CCN2Cc2cnn(C)n2)nn1 1038783515 PRHFFZQYEPGZLU-LBPRGKRZSA-N 316.369 -0.403 30 20 DBED N#Cc1cncc(N2C[C@@H]3CCN(C(=O)c4nc[nH]n4)[C@@H]3C2)n1 1040685944 NSIBYNIZWXAKMT-GXSJLCMTSA-N 310.321 -0.183 30 20 DBED C=CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)c2cccnc2)C1 1041199115 AUTJYQQXWUAXKT-GFCCVEGCSA-N 319.361 -0.024 30 20 DBED CSCCC(=O)NCC1(O)CN(C(=O)CSCC#N)C1 1041370311 FSOXXTTZYNFJGT-UHFFFAOYSA-N 317.436 -0.314 30 20 DBED Cc1c[nH]c(C(=O)N[C@@H]2CN(c3ccc(C#N)nc3)C[C@H]2O)n1 1041378837 YVLPSLYHKVEASP-CHWSQXEVSA-N 312.333 -0.036 30 20 DBED C#CCN1CC[C@]2(CCN(C(=O)[C@H]3CN(C(C)=O)CCO3)C2)C1 1041810451 FEPVNOMLAWXRSX-WBVHZDCISA-N 319.405 -0.209 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)c2cnn(C)c2C)C1 1041952045 LIGVWKBABFWXFK-UHFFFAOYSA-N 306.366 -0.002 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)COCCCC)C1 1042039864 KEEIHDYKRSNTMZ-UHFFFAOYSA-N 314.382 -0.305 30 20 DBED C=CCC(C)(C)C(=O)N1CC(O)(CNC(=O)CC(=O)NC)C1 1042738151 LMGZSNXZNALQJX-UHFFFAOYSA-N 311.382 -0.586 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)CN2CCCC2)C1 1042940917 HATHQFDBTSJVOR-UHFFFAOYSA-N 307.394 -0.569 30 20 DBED COCC(=O)N1CCO[C@@H]2CN(c3ccnc(C#N)n3)C[C@@H]21 1043647958 SILZAIWJHNXFNX-WDEREUQCSA-N 303.322 -0.589 30 20 DBED C=C(C)CCC(=O)N1CC(O)(CNC(=O)[C@]2(C)CNC(=O)C2)C1 1043947176 ZGOZLILMYWQSKU-HNNXBMFYSA-N 323.393 -0.442 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)c2csnn2)C1 1044098518 OGZGUDZQDUPNAJ-UHFFFAOYSA-N 308.363 -0.499 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(O)(CNC(=O)c2conc2C)C1 1045531576 GMVGTFINZVDEEB-CQSZACIVSA-N 323.349 -0.387 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)[C@H](C2CC2)N(C)C)C1 1045552153 QAGBSCOBMSQVNB-JQWIXIFHSA-N 308.382 -0.824 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)CCc2cccnc2)C1 1045555933 VBFWNPOFTJJDPA-LBPRGKRZSA-N 316.361 -0.137 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)CN2CCC[C@@H]2C)C1 1046664947 LUAMEPRKHWQCBA-AWEZNQCLSA-N 321.421 -0.036 30 20 DBED N#CCN1C[C@H]2C[C@@H](NC(=O)CN3CC(=O)NC3=O)C[C@H]1C2 1047162431 KKAHDVWACQQEBV-HBNTYKKESA-N 305.338 -0.969 30 20 DBED C#CCN1C[C@H]2CN(C(=O)C3CCS(=O)(=O)CC3)C[C@H]2C1 1049093044 SAWUIYPPYCSYBM-OKILXGFUSA-N 310.419 -0.165 30 20 DBED C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1CC(=O)NC(=O)N1 1049752963 IGXMQZFQQBCXTA-TUAOUCFPSA-N 304.350 -0.717 30 20 DBED C=CCN1C[C@@H]2CCCN(C(=O)[C@H]3CCS(=O)(=O)N3)[C@@H]2C1 1050205132 ZUUXBTOBYIHSBH-YNEHKIRRSA-N 313.423 -0.213 30 20 DBED N#CCN1CCOC[C@@H]1CNC(=O)C1CCS(=O)(=O)CC1 1051144628 VDALFJADOLVWCB-LBPRGKRZSA-N 315.395 -0.848 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)[C@]1(C)CCNC(=O)C1)CCO2 1053308909 SXZVVSIDFPDRRF-MRXNPFEDSA-N 319.405 -0.161 30 20 DBED CO[C@@H](C(=O)N1CCOC2(CN(CC#N)C2)C1)[C@@H]1CCOC1 1053358347 OSHHRELWBQRAJN-CHWSQXEVSA-N 309.366 -0.525 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)Cc3cc(C)nn3C)CO2)C1 1053869243 HTFKRUZRNNRTDF-CYBMUJFWSA-N 302.378 -0.136 30 20 DBED C[C@@H]1CN(C(=O)C2CC3(C2)CS(=O)(=O)C3)C[C@H]1NCC#N 1054798254 RSMRXIVHRXDBDZ-ZYHUDNBSSA-N 311.407 -0.229 30 20 DBED C#CCNC(=O)CC(=O)NC1CCN(CCNC(=O)CC)CC1 1055472902 IQNIGBYTDZNAJJ-UHFFFAOYSA-N 322.409 -0.767 30 20 DBED N#Cc1nccc(N2CCN(C(=O)CCn3cncn3)CC2)n1 1055729898 VLLRIDWBKVTQFQ-UHFFFAOYSA-N 312.337 -0.321 30 20 DBED N#Cc1cnc(N2C[C@H]3C(NC(=O)C4=COCCO4)[C@@H]3C2)cn1 1056100319 OBBCTDKWUDZBOC-GHMZBOCLSA-N 313.317 -0.213 30 20 DBED N#Cc1cccnc1N1C[C@H]2[C@H](NC(=O)[C@@H]3COCCO3)[C@H]2C1 1056135412 PGDJWQMTABZDGM-RFQIPJPRSA-N 314.345 -0.081 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)[C@H]1CCNC(=O)C1 1057439173 AMMFACCQGNLCIU-ZDUSSCGKSA-N 323.393 -0.747 30 20 DBED C=C[C@@](C)(CC)C(=O)NCCN(CCO)C(=O)c1cnn(C)n1 1058094534 MOXXBKSQXUZABW-HNNXBMFYSA-N 323.397 -0.032 30 20 DBED CN1CC[C@@H](C(=O)N[C@@H]2CCN(c3ccc(C#N)nn3)C2)C1 1058373249 DGKOBQWBVAUOIH-DGCLKSJQSA-N 300.366 -0.005 30 20 DBED Cc1cc(C#N)nc(N2CC[C@@H](NC(=O)c3cnn(C)n3)C2)n1 1058399948 LVUFJCKJDRINLY-SNVBAGLBSA-N 312.337 -0.206 30 20 DBED C[C@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(c1ccc3nnnn3n1)C2 1058734102 DTZRPOKXWLZBFG-VWYCJHECSA-N 312.337 -0.141 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)[C@]1(C)CCC(=O)N1 1058749337 NYXNCQUPQGGRBG-INIZCTEOSA-N 323.393 -0.604 30 20 DBED C[C@]1(C(=O)N2CC[C@H](Nc3cnc(C#N)cn3)C2)CCNC1=O 1059063035 LJDBIMQGWNSWNU-BONVTDFDSA-N 314.349 -0.113 30 20 DBED C=CCCC(=O)NC[C@H]1COCCN1C(=O)CCCC(N)=O 1061401514 IHPUWHJHIVUMHX-LBPRGKRZSA-N 311.382 -0.048 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)c1ncccn1 1061848161 PEDXJJMLLJERGS-QWRGUYRKSA-N 303.322 -0.407 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)c1cn(C)c(O)n1 1061848714 UMLPSIPQWGDZFG-UWVGGRQHSA-N 321.337 -0.757 30 20 DBED N#Cc1nccc(N2CCO[C@@H](CNC(=O)[C@@H]3CCCO3)C2)n1 1063605150 CFULSHOJGWNPTO-RYUDHWBXSA-N 317.349 -0.151 30 20 DBED N#Cc1cnc(N2CCO[C@H](CNC(=O)[C@H]3CCOC3)C2)cn1 1063618781 JTJZAVDQPPVERJ-WCQYABFASA-N 317.349 -0.294 30 20 DBED CC(C)C#CC(=O)NC1(CNC(=O)c2nnn(C)n2)CCC1 1064047178 JMQJNAKRYCVSPA-UHFFFAOYSA-N 304.354 -0.362 30 20 DBED Cn1ncc(C(=O)N[C@H]2[C@H]3C[C@H]2N(c2nccnc2C#N)C3)n1 1064275306 SAXHDAIEVQKTCA-AXTRIDKLSA-N 310.321 -0.516 30 20 DBED Cc1cnc(C(=O)N2CCO[C@H](CNC(=O)[C@@H](C)C#N)C2)cn1 1064795211 FFLWITIYDMKGNK-CMPLNLGQSA-N 317.349 -0.098 30 20 DBED Cn1cc(C(=O)N[C@]2(C)CCN(c3cncc(C#N)n3)C2)nn1 1065246470 DDSFBJDSNHQHEC-CQSZACIVSA-N 312.337 -0.124 30 20 DBED C#CCO[C@H](C)C(=O)N1CCOC2(CN(C(=O)[C@H](C)C#N)C2)C1 1068395865 DOFOOAZAMFMRPH-CHWSQXEVSA-N 319.361 -0.376 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@H]2CCCCO2)C[C@@H]1n1ccnn1 1070177826 QNQYYLIVZAZKDI-HZSPNIEDSA-N 303.366 -0.178 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CCCN(C(=O)Cn2nccn2)C1 1070793101 XUOZNLGADQYEJW-IUODEOHRSA-N 321.381 -0.288 30 20 DBED C=CCN[C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CNC(=O)N2)CC1 1071082037 FOVRGHAFMMQINL-MCIONIFRSA-N 322.409 -0.161 30 20 DBED C=CCN1CC[C@@]2(C1)CN(C(=O)CS(C)(=O)=O)C[C@@H](C)O2 1071144668 SCSGJIDHCIIUGA-TZMCWYRMSA-N 316.423 -0.091 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)c2cc[nH]c2)C1 1071941983 FFEHIXZPMUWTNR-YPMHNXCESA-N 316.361 -0.269 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1NC(=O)COCCN(C)C 1072050194 ZFRGOXPQDSJRTO-HIFRSBDPSA-N 321.421 -0.059 30 20 DBED C#CCOCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)CN(C)C(C)=O)C1 1072098338 YGNKKCBOIVGNRN-OCCSQVGLSA-N 323.393 -0.532 30 20 DBED C=CCN1CCCO[C@@H](CNC(=O)c2ccc(=O)n(C)n2)C1 1073880415 ITASIIQZWJPVTH-LBPRGKRZSA-N 306.366 -0.213 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)[C@H]2COCCN2C(C)=O)C1 1073896147 LUGYIECQAQYRGM-LSDHHAIUSA-N 323.393 -0.926 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CCN(C(=O)[C@@H](C)CC(N)=O)CC1 1074659479 JBRYHCDANRDOMW-QWRGUYRKSA-N 324.381 -0.873 30 20 DBED C[C@H]1[C@@H](NCC#N)CCN1C(=O)c1cn([C@@H]2CCOC2)nn1 1075025285 DJAQFKXPMYBBKA-TUAOUCFPSA-N 304.354 -0.044 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)COCC=C 1075917927 OGKUYOFOBRVYAR-LBPRGKRZSA-N 309.366 -0.661 30 20 DBED C[C@@H](CCNC(=O)c1cc(C#N)c[nH]1)NC(=O)CCNC(N)=O 1076074056 LUNMOIFQUQNPJA-VIFPVBQESA-N 320.353 -0.431 30 20 DBED C#CCO[C@H](C)C(=O)NCC[C@H](C)NC(=O)CCn1ccnn1 1076510288 IJYYZKPYPXEAGW-QWHCGFSZSA-N 321.381 -0.283 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)CN2CCCCC2=O)C1 1077292871 PJZAXNALCVVDBU-VXGBXAGGSA-N 315.801 -0.087 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(CC(=O)NC)C[C@H]2O)cc1 1077494033 XKSHOGPUGLXPPI-ZIAGYGMSSA-N 301.346 -0.811 30 20 DBED CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)CCc2cnn(C)n2)C1 1080415984 HCQZJDZMTGMKPV-NSHDSACASA-N 318.381 -0.033 30 20 DBED CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)C(=O)NCC(F)F)C1 1080417988 DUQKBEQIDCYUSW-MRVPVSSYSA-N 316.308 -0.413 30 20 DBED C#CCN1C[C@@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)[C@H](C)C1 1080636711 LHVQDJQFIAUTON-ZYHUDNBSSA-N 314.349 -0.859 30 20 DBED C#CCN1C[C@@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)[C@H](C)C1 1080999864 MLKUVXFPSOXMQC-VXGBXAGGSA-N 318.381 -0.950 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2cn(C)cn2)C[C@H]1O 1081347503 WRYGVBAPIGSDNE-DGCLKSJQSA-N 322.365 -0.828 30 20 DBED CCC(=O)NCC(=O)N1C[C@H](CNC(=O)C#CC(C)C)[C@@H](O)C1 1081462846 GGNWZSQGVARQFF-STQMWFEESA-N 323.393 -0.893 30 20 DBED C=CC(C)(C)CC(=O)N1C[C@H](CNC(=O)c2cnn[nH]2)[C@@H](O)C1 1081589909 JVIMPJBFVIHVIZ-JQWIXIFHSA-N 321.381 -0.044 30 20 DBED C=CCOCC(=O)N1C[C@H](CNC(=O)Cc2cnc[nH]2)[C@@H](O)C1 1081800918 WWRZTSBKXJBQAY-AAEUAGOBSA-N 322.365 -0.910 30 20 DBED C=CCN1C[C@@H](NC(=O)c2cn(C)c(=O)nc2O)[C@H](OC)C1 1082367044 JYBCHDJCDQSVEH-GHMZBOCLSA-N 308.338 -0.899 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN([C@H](CC)C(N)=O)C[C@@H]2O)cn1 1083969044 RDQOPAQWPNKFIY-MCIONIFRSA-N 316.361 -0.898 30 20 DBED CC(=O)N1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCC#N)C1 1085410985 XNJAQVHWKLQPMM-MCIONIFRSA-N 308.382 -0.226 30 20 DBED CCN(c1cncc(C#N)n1)[C@H](C)CNC(=O)c1nnn(C)n1 1089724310 RWMPVXHJMBLFEG-SECBINFHSA-N 315.341 -0.483 30 20 DBED C#CCCN1C[C@H]2[C@@H]3CC[C@@H](CN3C(=O)Cn3ncnn3)[C@H]2C1 1089818642 YCIOSFHQWSJBFS-YJNKXOJESA-N 314.393 -0.135 30 20 DBED CC[C@@H](OC)C(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1O 1090374402 XWIVWLXHFHAPQI-IJLUTSLNSA-N 305.338 -0.561 30 20 DBED CCC[C@H](OC)C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1O 1090511566 RXCSZCHZCXGAGG-UTUOFQBUSA-N 319.365 -0.171 30 20 DBED C#CCN1CC[C@H](NC(=O)c2ccc(=O)n(CC)n2)[C@H](O)C1 1090650749 CWTIACCACGLVSD-WCQYABFASA-N 304.350 -0.939 30 20 DBED CNC(=O)NCC(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1C 1090835278 FYJSDBBISQYMQJ-ZYHUDNBSSA-N 316.365 -0.177 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(c2ccnc(C)n2)C[C@@H]1O 1091101081 AGDZAVFSFOCFSK-XUJVJEKNSA-N 306.366 -0.222 30 20 DBED N#Cc1nc(=NCCNC(=O)CNC(=O)c2ccoc2)cc[nH]1 1094182951 VQISTKJOCMWJRX-UHFFFAOYSA-N 314.305 -0.679 30 20 DBED C=CCN1CC(n2cc(CNC(=O)[C@H]3C[C@H]3C(N)=O)nn2)C1 1094318972 IIMOBOLXSFWHBD-NEPJUHHUSA-N 304.354 -0.942 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)C[C@H]3CCCO3)CC2=O)C1 1094708839 GTOSTBUROMLCKE-GXTWGEPZSA-N 305.378 -0.410 30 20 DBED CN1C(=O)CC[C@H]1C(=O)NCCCNc1cncc(C#N)n1 1094722034 AWIOWASZXFQQSJ-NSHDSACASA-N 302.338 -0.113 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)Cn3ccc(C)n3)CC2=O)C1 1094787578 ZKYVKAMUZUFGAU-CYBMUJFWSA-N 317.393 -0.221 30 20 DBED N#Cc1ccc(N[C@@H](CNC(=O)Cn2cncn2)C2CC2)nn1 1096675225 DDAOIBNFMAEBDC-LBPRGKRZSA-N 312.337 -0.053 30 20 DBED CCS(=O)(=O)CC(=O)N1CC[C@H](Nc2cnc(C#N)cn2)C1 1096943395 XNWNBVUVLSAAGP-JTQLQIEISA-N 323.378 -0.204 30 20 DBED C=CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1C(=O)C(=O)N(C)C1=O 1097969214 MHWVCYKIXDGTJN-MXWKQRLJSA-N 320.349 -0.686 30 20 DBED C#CCNCc1cn([C@@H]2CCN(C(=O)CC(=O)N(C)C)C2)nn1 1098744816 CMNRKJFSKSFCJR-CYBMUJFWSA-N 318.381 -0.747 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)Cc2ccon2)[C@H](O)C1 1099755870 SUOPBRRCIGQACP-QWHCGFSZSA-N 322.365 -0.929 30 20 DBED CCn1ncc(C(=O)N[C@H]2CCN(CC#CCOC)C[C@H]2O)n1 1099802036 OHWKHEVMSDIDMP-GXTWGEPZSA-N 321.381 -0.887 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)[C@@H]2C[C@@H]3C[C@@H]3C2)[C@H](O)C1 1099952504 URUVFTMMESPLAV-VYDRJRHOSA-N 319.405 -0.667 30 20 DBED C=CCNC(=O)CNC1CC(CNC(=O)[C@@H]2COCCN2C)C1 1100253930 YMGPGSPCUBBMCJ-RUXDESIVSA-N 324.425 -0.896 30 20 DBED CN(CCNC(=O)[C@]1(C)CCC(=O)NC1)c1cncc(C#N)n1 1100286250 OVESSXJROICUHW-OAHLLOKOSA-N 316.365 -0.183 30 20 DBED CCN(CCNC(=O)C[C@@H]1CCNC1=O)c1nccnc1C#N 1100635272 IYVPXIPFCBCYBW-NSHDSACASA-N 316.365 -0.183 30 20 DBED C#CCCNC1CC(CNC(=O)COCc2ncnn2C)C1 1100808819 KRQQQWIQSVLPRD-UHFFFAOYSA-N 305.382 -0.161 30 20 DBED CCCN(CCNC(=O)CC(=O)NC)c1ccnc(C#N)n1 1101126947 UUFSYHJGPLBQGN-UHFFFAOYSA-N 304.354 -0.183 30 20 DBED COCC#CCN1C[C@@H]2CN(C(=O)[C@H]3COCCO3)C[C@]2(C)C1 1101131168 QDUGQVVKVPUWSA-INMHGKMJSA-N 322.405 -0.168 30 20 DBED N#Cc1nccnc1N(CCNC(=O)[C@H]1CCC(=O)N1)C1CC1 1101303914 HXIRYNDVGYLFKJ-LLVKDONJSA-N 314.349 -0.288 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H]1CN(C[C@H]2CCOC2)C[C@H]1C 1101900432 NRJDZQJITJBWDN-RBSFLKMASA-N 321.421 -0.154 30 20 DBED C[C@](CN=c1cc[nH]cc1C#N)(NC(=O)CNC(N)=O)C1CC1 1103481622 VEXYARHTLDKRAZ-OAHLLOKOSA-N 316.365 -0.260 30 20 DBED C[C@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)CNc1ccc(C#N)nn1 1104177085 LTECMFNJMIRNBP-ONGXEEELSA-N 317.353 -0.464 30 20 DBED CC(C)[C@@H](O)C(=O)NC[C@H]1CN(c2ccc(C#N)nn2)CCO1 1104305291 LILWWMCRWUPNBX-GXTWGEPZSA-N 319.365 -0.313 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)[C@@H]1COCCN1C 1104526661 GAMCOVIGAIQJIH-NEPJUHHUSA-N 318.381 -0.640 30 20 DBED C#CCNC(=O)CC(=O)N(C)[C@H](C)CNc1nccnc1C#N 1104531906 ZTHFKZCTFIBWLW-LLVKDONJSA-N 314.349 -0.253 30 20 DBED C=CCCC(=O)N1CC(n2cc(CN[C@@H](CC)C(N)=O)nn2)C1 1105186055 ZCPSZOLHUYAIQL-ZDUSSCGKSA-N 320.397 -0.019 30 20 DBED Cc1cc(CC(=O)NC[C@@H](O)CNc2cnc(C#N)cn2)no1 1105765920 KQDUOTWUDBCGHB-LBPRGKRZSA-N 316.321 -0.224 30 20 DBED N#Cc1cnc(NC[C@H](O)CNC(=O)Cc2ccc[nH]2)cn1 1105863593 NNADLPRSLZCQCC-LBPRGKRZSA-N 300.322 -0.192 30 20 DBED COCCOCCC(=O)NC[C@@H](O)CNc1cncc(C#N)n1 1105881318 XQMZHWPSKNSNIV-LBPRGKRZSA-N 323.353 -0.710 30 20 DBED N#Cc1cncc(NC[C@@H](O)CNC(=O)Cc2cnoc2)n1 1106069988 HDLHWQJFGCPAMH-LLVKDONJSA-N 302.294 -0.532 30 20 DBED CN1CCO[C@H](C(=O)NC/C=C\CN=c2cc[nH]cc2C#N)C1 1107094212 XCDSNDRRXHUYQQ-GWQWAINWSA-N 315.377 -0.210 30 20 DBED C#CCN1CC(n2cc(CNC(=O)C[C@@H]3CCN(C)C3)nn2)C1 1107229139 DBKQWWJFFGWMFI-ZDUSSCGKSA-N 316.409 -0.274 30 20 DBED CC#CCN1CC(n2cc(CNC(=O)Cn3ccnc3)nn2)C1 1107240750 HGXSNIQGEZBCEO-UHFFFAOYSA-N 313.365 -0.329 30 20 DBED CN(C)CCOCC(=O)NC/C=C/CN=c1cc[nH]c(C#N)n1 1107273270 XQOBAEHMORBSOG-ONEGZZNKSA-N 318.381 -0.567 30 20 DBED C[C@H](CC(N)=O)C(=O)NC/C=C/CNc1cnc(C#N)cn1 1107453491 ZALRSTYIJMGYEK-VMZHVLLKSA-N 302.338 -0.056 30 20 DBED CN1CC[C@H](C(=O)NC/C=C\CNc2cncc(C#N)n2)C1=O 1107459875 JIGVXCCKKVJYKC-ZZKXABKFSA-N 314.349 -0.089 30 20 DBED C[C@H](CNc1ccc(C#N)nn1)NC(=O)[C@H]1CCC(=O)N1C 1108060929 SYTLRKKTIIYJEY-MWLCHTKSSA-N 302.338 -0.114 30 20 DBED C[C@@H](CNc1nccnc1C#N)NC(=O)[C@H]1CN(C)CCO1 1108302727 CGJGJJUJGVTTCO-CMPLNLGQSA-N 304.354 -0.405 30 20 DBED C[C@H](CN(C)c1cncc(C#N)n1)NC(=O)c1nccnc1N 1108886271 WXMOYKAGFADYCN-SECBINFHSA-N 312.337 -0.025 30 20 DBED C[C@H](CN(C)c1cnc(C#N)cn1)NC(=O)c1nnn(C)n1 1109179202 NIJNXOVAVOIFEQ-MRVPVSSYSA-N 301.314 -0.874 30 20 DBED CN(CCCNc1ccc(C#N)nn1)C(=O)CN1CCOCC1 1109409015 GWOHQEFZASVKNA-UHFFFAOYSA-N 318.381 -0.059 30 20 DBED CN(C)S(=O)(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC#N 1110049881 CGLLWQNRGCYNIF-VWYCJHECSA-N 300.384 -0.877 30 20 DBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H]1CCN(C)C1 1110101505 RQTWXUUCKXKOJT-XGUBFFRZSA-N 320.437 -0.038 30 20 DBED C[C@]1(NC(=O)Cn2nccn2)CCN(c2nccnc2C#N)C1 1110790318 XDKAXZQYDZLCJN-AWEZNQCLSA-N 312.337 -0.275 30 20 DBED N#Cc1cncc(NCCN(CCO)C(=O)c2ccnnc2)n1 1111567579 OISMAZPTFBVZSV-UHFFFAOYSA-N 313.321 -0.315 30 20 DBED N#Cc1nccnc1NC1(CNC(=O)CCNC(N)=O)CCC1 1111808420 QXYAXEQHYZFJAG-UHFFFAOYSA-N 317.353 -0.143 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(c2cc(C)ncn2)C[C@@H]1O 1112702932 WOSRTXDKVNIEBI-STQMWFEESA-N 306.366 -0.099 30 20 DBED C=CCOCC(=O)N1CCN(CC(=O)NC(=O)NC2CC2)CC1 1112708821 ZYVZHKLAHHJOKS-UHFFFAOYSA-N 324.381 -0.679 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)[C@@H]2[C@H]3COC[C@H]32)CC1 1113226296 VRMSHMRJWLPSAK-MQYQWHSLSA-N 307.394 -0.286 30 20 DBED COCCC[C@@H](C)C(=O)N1CCN(CC(=O)NCC#N)CC1 1113507296 FURUDCPUEYRXHI-CYBMUJFWSA-N 310.398 -0.167 30 20 DBED C[C@@H](CNC(=O)[C@@H]1COCCN1C)N(C)c1ccc(C#N)nn1 1113559923 FTYRAFXZBRRKIY-AAEUAGOBSA-N 318.381 -0.380 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)Cn2ccnc2)CC1 1113727495 XMYYLNIDOVMHQF-ZDUSSCGKSA-N 305.382 -0.282 30 20 DBED C=CCNC(=O)NC(=O)CN1C[C@H]2[C@H](NC(=O)C3CCC3)[C@H]2C1 1113765510 VHGFRWBNGHCIMB-IMRBUKKESA-N 320.393 -0.155 30 20 DBED N#CCNC(=O)CN1C[C@H]2C(NC(=O)CC3CCOCC3)[C@@H]2C1 1114069607 MEXXNNNICXILMW-CHWSQXEVSA-N 320.393 -0.511 30 20 DBED C[C@H](C#N)C(=O)NC1[C@H]2CN(CCN3C(=O)CCC3=O)C[C@H]12 1114072388 QZBOCGFIJICOEQ-VWYCJHECSA-N 304.350 -0.659 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)c3cncnc3)[C@H]2C1 1114161283 DQRRGJRMAXWRCN-SCUASFONSA-N 313.361 -0.726 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)CN(C)C3CCC3)[C@@H]2C1 1114412002 OPFJRLZRNSBWLA-ZIAGYGMSSA-N 318.421 -0.734 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)C[C@H]3CCC(=O)N3C)[C@H]2C1 1114663803 WWLUXJIQOKUTDX-WVZRYYJFSA-N 319.405 -0.307 30 20 DBED C=CCCN1C[C@@H]2C(NC(=O)CNS(=O)(=O)N(C)C)[C@H]2C1 1114894819 MOJSEHLYABGKQF-QWRGUYRKSA-N 316.427 -0.995 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)c3ccc(=O)n(C)n3)[C@@H]2C1 1115207624 VKQGIUXWLLNGKO-VXGBXAGGSA-N 316.361 -0.910 30 20 DBED C=CCN1C[C@H]2C(NC(=O)CCS(=O)(=O)N(C)C)[C@@H]2C1 1115281882 DDPCRXYLLVWHRD-GHMZBOCLSA-N 301.412 -0.500 30 20 DBED C[C@H]1CC(=O)NCCN1C(=O)C(=O)NCc1ccc(C#N)cc1 1117191229 HCYNGXKCJACNRQ-NSHDSACASA-N 314.345 -0.089 30 20 DBED C=CCNC(=O)Cn1nnnc1N1CCC2(CC1)OCCO2 1120155277 CFMKKKHWIDFDFG-UHFFFAOYSA-N 308.342 -0.681 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)[C@H]2COCCO2)nc1 1121142219 BFVBTRFMQMXIRR-VXGBXAGGSA-N 306.322 -0.742 30 20 DBED Cn1cc(CC(=O)NC[C@@H](CO)Nc2ncccc2C#N)cn1 1121190868 NGNCLYMNKDOOML-ZDUSSCGKSA-N 314.349 -0.182 30 20 DBED C=CCOCC(=O)NC[C@@H](CO)Nc1cc(OCC)ncn1 1121324135 JYKBZSZEFYWMOD-NSHDSACASA-N 310.354 -0.033 30 20 DBED C[C@@](O)(CC(=O)NC[C@H](CO)Nc1nccnc1C#N)C1CC1 1121340501 YGLYIEQNFPXJBW-IAQYHMDHSA-N 319.365 -0.212 30 20 DBED CCc1nc[nH]c1C(=O)NC[C@@H](CO)Nc1nccnc1C#N 1121874291 CYIOQCLARMJIBT-VIFPVBQESA-N 315.337 -0.163 30 20 DBED CC#CCNC1CC2(C1)CC(NC(=O)CN1C(=O)CNC1=O)C2 1122150677 CARNIUICDBSOLN-UHFFFAOYSA-N 318.377 -0.422 30 20 DBED Cc1nn[nH]c1C(=O)NC[C@H](CO)Nc1ncccc1C#N 1122384354 BQUQPTZHCGHDTN-SNVBAGLBSA-N 301.310 -0.417 30 20 DBED CN(C[C@@H](O)CNc1cncc(C#N)n1)C(=O)c1ncn(C)n1 1124295649 IKRCLWWFOWIJKZ-JTQLQIEISA-N 316.325 -0.978 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)Cc1ccco1 1124466031 FXIOCWKCCIRUGT-NSHDSACASA-N 315.333 -0.163 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C[C@H](O)CNc1ncc(F)cn1 1124521057 YRPPKANMUMXPPT-ZYHUDNBSSA-N 310.329 -0.115 30 20 DBED CN(C[C@@H](O)CNc1cncc(C#N)n1)C(=O)c1csnn1 1124627098 AEBMBGFZLBEKOY-VIFPVBQESA-N 319.350 -0.255 30 20 DBED CC(C)N(CCN(C)c1cncc(C#N)n1)C(=O)CNC(N)=O 1125435450 FHCITOYWLHRNEJ-UHFFFAOYSA-N 319.369 -0.310 30 20 DBED C=C[C@](C)(O)CC(=O)NCCNCC(=O)NC1CCOCC1 1126361238 YCIKHSNECIFRIC-HNNXBMFYSA-N 313.398 -0.686 30 20 DBED COCC#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H]2C[C@@H]2C)C1 1129174683 ILFLASYMEFBYBO-XQLPTFJDSA-N 317.393 -0.075 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1ccc2nnc(C)n2c1 1130636604 FHFCYJHRYJDNDS-UHFFFAOYSA-N 316.365 -0.341 30 20 DBED C#CCCN1C[C@H]2C[C@@H]3CN(C(=O)COCCOC)C[C@@]3(C1)O2 1131209618 DGIQIDPHMFNXNB-BFYDXBDKSA-N 322.405 -0.026 30 20 DBED C=CCN1CCN([C@H]2CCCN(C(=O)CNC(C)=O)C2)C(=O)C1 1131703762 JDALPEORXLYYMJ-AWEZNQCLSA-N 322.409 -0.556 30 20 DBED C=C(C)CN(CC)C(=O)[C@@H](C)NCCNC(=O)[C@@H]1CCNC1=O 1132377616 YCYVEYXJHLYWLL-CHWSQXEVSA-N 324.425 -0.359 30 20 DBED CCOCC(=O)N1CC[C@@H](C)[C@@H](CNCC(=O)NCC#N)C1 1132610825 SETLEURBLAQTNV-OLZOCXBDSA-N 310.398 -0.263 30 20 DBED CNC(=O)NCC(=O)N1CC[C@@H](C)[C@H](CNCC#CCOC)C1 1132859564 FMGNTEUIQLJLBB-ZIAGYGMSSA-N 324.425 -0.361 30 20 DBED C#CCN[C@@H](C)C[C@H](C)NC(=O)CS(=O)(=O)CCOC 1134749829 ZRJDGQQNBPSMIJ-RYUDHWBXSA-N 304.412 -0.446 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCNC[C@@H](O)Cn1cccn1 1135147856 QMYLRWAGAVTZNX-ILXRZTDVSA-N 322.409 -0.069 30 20 DBED C=C(C)CN(CC)C(=O)CNCCNC(=O)C(=O)NCC1CC1 1135906256 XTGBNMXXBRZJGY-UHFFFAOYSA-N 324.425 -0.357 30 20 DBED C#CCCN[C@@H](C)C[C@@H](C)NC(=O)CS(=O)(=O)N(C)C 1136063351 PBKGEZZJZCFWRV-NWDGAFQWSA-N 303.428 -0.226 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC2(CN(C(=O)[C@@H]3CCCO3)C2)C1 1146934178 RLDXIERCBXTWDK-KGLIPLIRSA-N 319.405 -0.162 30 20 DBED C=CCOCCNCCNC(=O)c1cn([C@H]2CCOC2)nn1 1147014805 KLAJDQADAPMLPQ-LBPRGKRZSA-N 309.370 -0.239 30 20 DBED COCC#CCN1CCC2(C1)CN(C(=O)[C@H]1OCCO[C@H]1C)C2 1147742744 QNMASBHXTUGCOQ-GJZGRUSLSA-N 322.405 -0.026 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(CCOCCO)CCCO1 1149681321 JCHGKLZIJGNUTO-OAHLLOKOSA-N 312.410 -0.138 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)CNC(=O)[C@H](C)CC 1151346727 WFXSRXHIKJHKNW-NEPJUHHUSA-N 312.414 -0.455 30 20 DBED COCCC1(C(=O)NCCNCC(=O)NCC#N)CCCC1 1153015851 SQAXOOSGVYSMBM-UHFFFAOYSA-N 310.398 -0.071 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)c1cnnn1CC 1157565045 AEPCSVQKXWCWMP-NSHDSACASA-N 306.370 -0.855 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)c1cc(OC)ncn1 1158197088 RWHVKXGHBNCFGH-NSHDSACASA-N 321.381 -0.115 30 20 DBED N#CCNC(=O)CNCCCNC(=O)c1cnn2c1CCC2 1159479702 WQEUOGVSFJAWPS-UHFFFAOYSA-N 304.354 -0.821 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@]1(CC)CCNC1=O 1160290752 LDMZGRDUBCUBOL-HNNXBMFYSA-N 310.398 -0.699 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)c2cncnc2O)C1=O 1160644989 DZLVWKNWCQNAFF-GFCCVEGCSA-N 319.365 -0.321 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@@H]1CCn2cncc2C1 1161209654 UIYDBYVFZSZSNR-CYBMUJFWSA-N 317.393 -0.709 30 20 DBED CC(=O)N1CCOC[C@H]1C(=O)NCCC1=CCN(CC#N)CC1 1161908941 RLQXWTOJTXPYQN-HNNXBMFYSA-N 320.393 -0.104 30 20 DBED N#CCNC(=O)CNCCCNC(=O)C1(C2CC2)CCOCC1 1163262074 GQUHRQDTZPKWKP-UHFFFAOYSA-N 322.409 -0.071 30 20 DBED N#CCNC(=O)CNCC1(CCNC(=O)[C@@H]2CCOC2)CC1 1163708082 WQXJJLLFQOTIBU-GFCCVEGCSA-N 308.382 -0.461 30 20 DBED C=CCNC(=O)CNCCCNC(=O)CN1CCCCCC1=O 1175592112 RPHRHXVJTDBQSH-UHFFFAOYSA-N 324.425 -0.213 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)c1ccnc(C)n1 1176301200 FMIVRQFTSFGGPD-NSHDSACASA-N 303.366 -0.368 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)C[C@H]2CCOC2)[C@H]1C 1178400700 BTSRXQJJNYJNRM-MJBXVCDLSA-N 307.394 -0.259 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2cn(CC)cn2)[C@H]1C 1179933799 KSFWTGDOXGHKAG-STQMWFEESA-N 317.393 -0.155 30 20 DBED C=CCNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)C2CCC2)C1 1180587798 STFDMMFJMKACLT-GFCCVEGCSA-N 308.382 -0.011 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)CCc2ncc[nH]2)C1 1182221104 XFWQOZWXNOGZMG-CHWSQXEVSA-N 317.393 -0.329 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2cnn(CCF)c2)C1 1183843379 ANIXLHGEZSVCIJ-CYBMUJFWSA-N 321.356 -0.594 30 20 DBED CCOc1cc(C(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)on1 1184331429 RLSDDQONNXSRDL-SNVBAGLBSA-N 321.337 -0.483 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@@H](NCCNS(C)(=O)=O)C1 1184849611 GUJOOIBLYFSZDL-LLVKDONJSA-N 303.428 -0.062 30 20 DBED C#CCNC[C@@H]1CN(C(=O)CNC(=O)NC)CC12CCOCC2 1186402479 PBWZLTWCTVENIB-CYBMUJFWSA-N 322.409 -0.607 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)[C@@H]2CCN(C)[C@@H]2C)C1 1190238292 JZTVUIHWRZHEBB-QLFBSQMISA-N 320.437 -0.391 30 20 DBED CN(CC(=O)NCC#N)[C@H]1CCN(C(=O)CCc2cnc[nH]2)C1 1190548115 VDKWOHPUAQUYFX-ZDUSSCGKSA-N 318.381 -0.485 30 20 DBED N#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)CCC2CCCC2)C1 1190778453 WZAMBTICTBCFHQ-ZIAGYGMSSA-N 322.409 -0.242 30 20 DBED COCCCCN1C[C@@H](O)[C@H](NC(=O)CSCC#N)C1 1191149477 VBPVAOASJPBGPA-VXGBXAGGSA-N 301.412 -0.169 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)CCC2CCC2)C1 1192096344 CVCPVYNXPKFTEK-BPLDGKMQSA-N 321.421 -0.134 30 20 DBED C=C(C)C(C)(C)C(=O)N[C@@H]1CN([C@@H]2CCC(=O)NC2=O)C[C@H]1O 1195255598 WCCHXTBGUJPJOO-IJLUTSLNSA-N 323.393 -0.445 30 20 DBED C=C[C@H](CC)CC(=O)N[C@@H]1CN(Cc2nc(O)n[nH]2)C[C@H]1O 1195567205 LUAMJZSXYBYSFC-GMTAPVOTSA-N 309.370 -0.226 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)c2c(C)n[nH]c2C)CC1 1197461108 MKBRQGRKQSTZTN-UHFFFAOYSA-N 317.393 -0.076 30 20 DBED C#CCCNC[C@H]1CN(C(=O)c2cnc(O)n2C)CCCO1 1201148303 ZUGXLLQALVFTHW-LBPRGKRZSA-N 306.366 -0.030 30 20 DBED C#CCNC[C@H]1CN(C(=O)Cn2ccc(C)cc2=O)CCCO1 1201525929 XNOFVFVHBCKYJZ-HNNXBMFYSA-N 317.389 -0.003 30 20 DBED C#CCNC[C@@H]1CN(C(=O)c2cncc(OC)n2)CCCO1 1201568173 DKMRWAGUEQYZOH-GFCCVEGCSA-N 304.350 -0.061 30 20 DBED N#CCNC(=O)CN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)c1nc[nH]n1)C2 1204805419 JEDWPHCXUAYTIZ-GMTAPVOTSA-N 317.353 -0.973 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)Cc2cnn(C)c2)C1 1207623566 UYXAALOYKWNVPE-CQSZACIVSA-N 319.409 -0.155 30 20 DBED Cn1cc(CC(=O)N2CCC[C@H](NCC(=O)NCC#N)C2)cn1 1207623785 YBKKEGWLOGQBMB-ZDUSSCGKSA-N 318.381 -0.817 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)c2cc(C)ncn2)C1 1207812961 GNAFYGNEGJMBPB-ZDUSSCGKSA-N 315.377 -0.271 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)Cc2cc(C)on2)C[C@H]1C 1214356167 OACGEACICKZHRQ-BXUZGUMPSA-N 318.377 -0.289 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)CC(=O)NCC)C[C@H]1C 1214484012 VRQGOBQYINSMJE-FRRDWIJNSA-N 324.425 -0.360 30 20 DBED C#CCN[C@@H]1CN(C(=O)CCCCCS(N)(=O)=O)C[C@H]1C 1217159880 IVIFXFZQVVKRHW-CHWSQXEVSA-N 315.439 -0.095 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H]2[C@@H](C1)OCCN2C(=O)CCOC 1217185374 AJOXDBAJUQBWAD-HZSPNIEDSA-N 323.393 -0.928 30 20 DBED C=CCCC(=O)N[C@@H]1CN(CC(=O)NC(=O)NCC=C)C[C@@H]1O 1219333090 PBIVYVXMBIHUGB-NEPJUHHUSA-N 324.381 -0.874 30 20 DBED CC(C)n1nnnc1CN1C[C@H](O)[C@H](NC(=O)[C@H](C)C#N)C1 1219379419 SUIXSSYZKRDSGY-MXWKQRLJSA-N 307.358 -0.925 30 20 DBED C#CCCCCC(=O)N[C@@H]1CN([C@@H](C)C(=O)NCC#C)C[C@@H]1O 1219490637 RUGNICQKINFDIX-ZNMIVQPWSA-N 319.405 -0.521 30 20 DBED C=CCCCCCN1C[C@H](O)[C@H](NC(=O)[C@H](C)NC(N)=O)C1 1219521640 RKADRYLTHCIMNC-XQQFMLRXSA-N 312.414 -0.049 30 20 DBED CN(C(=O)CN1C[C@H](O)[C@H](NC(=O)C#CC2CC2)C1)C1CC1 1219589786 IVKXVQNUVMRCGQ-KGLIPLIRSA-N 305.378 -0.818 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)COc2c(C)nn(C)c2C)C1 1219643355 POQCVWVWUSNMNH-OLZOCXBDSA-N 308.382 -0.237 30 20 DBED C=CCC(CC=C)C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@@H]1O 1219686891 YZDHEUCCXNJGTG-KGLIPLIRSA-N 320.393 -0.444 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)CC(C)(C)COC)C1 1220058180 XJUKYGYVDMYYPI-KGLIPLIRSA-N 312.410 -0.140 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@@H](OCC)C2CCOCC2)C1 1220085756 LXNZYLMZQFPWFH-ILXRZTDVSA-N 310.394 -0.387 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1CN(C[C@@H](O)Cn2cccn2)C[C@@H]1O 1220147740 LJZIVAAOPAZXOG-MCIONIFRSA-N 322.409 -0.383 30 20 DBED CC1(C)CC[C@H]1C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@@H]1O 1220178388 JGINQLVQESVQLE-TUAOUCFPSA-N 308.382 -0.776 30 20 DBED C=C[C@](C)(CC)C(=O)N[C@@H]1CN(CCS(C)(=O)=O)C[C@@H]1O 1220292220 QTEJSNYDTTWPJT-MBNYWOFBSA-N 318.439 -0.205 30 20 DBED Cn1cccc1C(=O)N1C[C@H]2CCN(CC(=O)NCC#N)C[C@H]21 1221272483 LHQQRZRYFMRVGV-TZMCWYRMSA-N 315.377 -0.189 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@H]1CN(C)C(=O)c1cn[nH]c1 1230844427 KXDARUXUWKZQHP-YPMHNXCESA-N 303.366 -0.306 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@H]1CN(C)C(=O)c1ncn(C)n1 1234059752 PCIGSFUKJKBTGB-RYUDHWBXSA-N 318.381 -0.901 30 20 DBED C=CCCN1CC[C@@H]1CN(C)C(=O)CN(C)S(C)(=O)=O 1234973779 KDOZDFHALSOFQJ-GFCCVEGCSA-N 303.428 -0.013 30 20 DBED C[C@H](CS(C)(=O)=O)NC(=O)NC1CCN(CC#N)CC1 1252746954 BGYIXMSKHGKUBU-SNVBAGLBSA-N 302.400 -0.293 30 20 DBED COC(=O)CN(CC#N)C(=O)c1ccc(-n2ccnc2)nn1 1318755810 YANXPYONPVHALG-UHFFFAOYSA-N 300.278 -0.199 30 20 DBED C#CCOCCNC(=O)C(=O)NC[C@H]1CCCN(C(C)=O)C1 1322673479 YLCBVQHOGDALOV-CYBMUJFWSA-N 309.366 -0.873 30 20 DBED CCN(CC)C(=O)CCCNC(=O)C(=O)N1CCO[C@H](C#N)C1 1322977403 RQTKZFUPXPVTRN-GFCCVEGCSA-N 324.381 -0.498 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CCCC[C@H]2CCO)nn1 1325986016 DUVWIMDBHUYCFE-ZDUSSCGKSA-N 321.381 -0.156 30 20 DBED N#C[C@]1(F)CCN(C(=O)C(=O)N2CCC[C@@H](n3ccnn3)C2)C1 1326202546 XFWFLWHOKPUYPV-BXUZGUMPSA-N 320.328 -0.094 30 20 DBED C#CC[C@@H](CO)NC(=O)[C@@H](C)S(=O)(=O)C1CCOCC1 1326345235 YMTSDOIQUMBHLD-MNOVXSKESA-N 303.380 -0.531 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N(C)CCCC(=O)NC 1330495235 JEICQRISANQKNX-UHFFFAOYSA-N 311.382 -0.531 30 20 DBED CC#CC[C@@H](CO)NC(=O)[C@H](C)n1cnc2c(N)ncnc21 1330873631 PTDXBKKZGQXXNH-UWVGGRQHSA-N 302.338 -0.140 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)Cc1nnc2c(=O)[nH]ccn12 1332246533 GLIQVUMVQRELTK-NSHDSACASA-N 314.349 -0.526 30 20 DBED C=CCCOCCn1nnnc1N1CCN2C(=O)NC[C@H]2C1 1334242355 ZSGBTJZBPZRGTA-NSHDSACASA-N 307.358 -0.520 30 20 DBED C#Cc1ccc(NC(=O)C(=O)N[C@H]2CCC(=O)N(C)C2=O)cc1 1338218992 FXHHCJOHDCHFCU-LBPRGKRZSA-N 313.313 -0.130 30 20 DBED C=CCN(C(=O)[C@H]1CCNC(=O)C1)[C@H]1CCS(=O)(=O)C1 1340363527 HPPZZAXGZLDDCB-QWRGUYRKSA-N 300.380 -0.286 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N1CCC2(CC1)COC(=O)N2 1343080481 NYDCRZVUKUNMNG-JTQLQIEISA-N 311.338 -0.595 30 20 DBED C[S@@](=O)C1(CNC(=O)C(=O)N2CC[C@](F)(C#N)C2)CC1 1343470868 NENUTXOHYCFOOU-PRWKNARSSA-N 301.343 -0.522 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Cn1ncn2nccc2c1=O 1344491368 NUZAYVPHWGBRBQ-RISCZKNCSA-N 317.349 -0.012 30 20 DBED C=C[C@H](CO)NC(=O)C(=O)Nc1cc(C2CCOCC2)nn1C 1351593435 WYMCZSRLEHETLM-LLVKDONJSA-N 322.365 -0.084 30 20 DBED CC(C)(C#N)CC(=O)NCCN1CCN(S(C)(=O)=O)CC1 1361962771 AFXAIUFYFKPFGX-UHFFFAOYSA-N 316.427 -0.380 30 20 DBED C[C@@H]1[C@@H](C)N(C(=O)CCn2cc(C#N)c(O)nc2=O)CCN1C 1362256094 UMGIEFBUEWQLNL-GHMZBOCLSA-N 319.365 -0.238 30 20 DBED Cc1nc(C(=O)N2CC[C@](O)(CC#N)C2)nn1-c1nc[nH]n1 1363522847 UXUSBCXGGMPOMP-GFCCVEGCSA-N 302.298 -0.816 30 20 DBED COc1cc(C#N)ccc1C(=O)N1CCN(S(N)(=O)=O)CC1 1363539987 YOPMKOWXKXOGKS-UHFFFAOYSA-N 324.362 -0.472 30 20 DBED CO[C@@H]1CC[C@@H](NC(=O)NCCn2cc(C#N)c(O)nc2=O)C1 1365372493 SZVRJQZBEHJFNT-GHMZBOCLSA-N 321.337 -0.313 30 20 DBED COCCN(CCC#N)S(=O)(=O)NC[C@@H]1CCN(C)C1 1365415050 JQPNKAAKBOHFKN-LBPRGKRZSA-N 304.416 -0.365 30 20 DBED COc1cc(C#N)ccc1S(=O)(=O)NCCN(C)CCO 1365735634 JZNKTVYRJKHNCQ-UHFFFAOYSA-N 313.379 -0.231 30 20 DBED COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)Nc1nn(C)cc1C#N 1365768384 COUVRIALPUJXTP-YUMQZZPRSA-N 322.325 -0.521 30 20 DBED CCO[C@@H](C)C(=O)NCCN1CCN(C(=O)[C@@H](C)C#N)CC1 1372207477 JOSQATUNWPKRGM-STQMWFEESA-N 310.398 -0.169 30 20 DBED CNC(=O)c1cccc(C(=O)NC[C@@H](C)NC(=O)[C@H](C)C#N)n1 1373020824 NLGKQPLZNQNICW-NXEZZACHSA-N 317.349 -0.165 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CN(C)C(=O)CCN1CCCC1=O 1383000847 WJKCHYONWHNSEY-VXGBXAGGSA-N 324.381 -0.906 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCNC(=O)[C@H]1CCCCS1(=O)=O 1386941567 JGWCQXUEGZZNTK-WDEREUQCSA-N 315.395 -0.312 30 20 DBED COC[C@@H](OC)C(=O)NCC1CN(C(=O)c2ccc(C#N)[nH]2)C1 1389941853 MMLLAAXCDBTEGW-CYBMUJFWSA-N 320.349 -0.264 30 20 DBED CCCNC(=O)NC(=O)CNC1(CNC(=O)[C@@H](C)C#N)CC1 1392890197 REGXNOUHSTYXEC-JTQLQIEISA-N 309.370 -0.380 30 20 DBED C[C@H](CNC(=O)c1ccc(C(N)=O)nc1)CNC(=O)[C@H](C)C#N 1399407380 RIBGVWBCLXWAGZ-VHSXEESVSA-N 317.349 -0.178 30 20 DBED C=C(Cl)CNC[C@H](C)N(C)C(=O)CN1CCNC(=O)C1 1401247175 YRMZZYPYYFRLJD-NSHDSACASA-N 302.806 -0.393 30 20 DBED C[C@@H](C#N)C(=O)N(CCNC(=O)CCn1ccnn1)C1CC1 1408911255 BTXULPZQHWZNMH-NSHDSACASA-N 304.354 -0.065 30 20 DBED CCN(C)C[C@H]1CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)C1 1411862859 GJXBLSNLUJHUHG-LLVKDONJSA-N 319.365 -0.379 30 20 DBED C=C(Br)CNC[C@@H](O)CNC(=O)C1=COCCO1 1422275397 MAIIINLQPHGPAO-SECBINFHSA-N 321.171 -0.150 30 20 DBED C[C@H](C#N)C(=O)N(C)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1 1430062481 SEFAEOUUYWMETK-KGLIPLIRSA-N 322.409 -0.072 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)c2cccnc2)C1 1434326977 JSBNSTHWSOTSSU-IAQYHMDHSA-N 302.334 -0.066 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)CCN2CCCCC2)C1 1445647319 RBRFMFLUFBXWHV-MJBXVCDLSA-N 322.409 -0.290 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](C)CNC(=O)COCc1ccnn1C 1451602693 MITOPAKZFZXSFS-RYUDHWBXSA-N 321.381 -0.035 30 20 DBED CNC(=O)[C@H](O)CNS(=O)(=O)c1c(C)cc(F)cc1C#N 1463508715 VWPUTEROAGPWQT-SNVBAGLBSA-N 315.326 -0.609 30 20 DBED N#C[C@]1(F)CCN(C(=O)NCc2nnc3c(=O)[nH]ccn23)C1 1471377315 FQXHMXWAOLLDRH-GFCCVEGCSA-N 305.273 -0.435 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@@H](CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 1489853636 RIURCTXMHFVLEO-HHHUOAJASA-N 322.365 -0.810 30 20 DBED C#CCNC(=O)CN[C@@H](C)CCNC(=O)c1cc(CC)[nH]n1 1491984213 CMAZTJDWWOKCSC-NSHDSACASA-N 305.382 -0.181 30 20 DBED C#Cc1cncc(C(=O)NC[C@@H](C)CNC(=O)CNC(=O)O)c1 1573313450 JDNQUZHSMJNLAF-JTQLQIEISA-N 318.333 -0.187 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCO[C@@](COC)(C(=O)O)C1 1588431136 SJFDWGZHWFDZRB-WFASDCNBSA-N 310.350 -0.587 30 20 DBED C=CCNC(=O)CN[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2C(=O)O)C1 1588844701 OZPIRNFFWNIOLW-WRWGMCAJSA-N 309.366 -0.506 30 20 DBED COCCN(CCOC)c1cnc(-c2nn[nH]n2)c(C#N)n1 1591424880 XMWFZTRWFFKMCB-UHFFFAOYSA-N 304.314 -0.372 30 20 DBED C=CC[C@H](C(=O)O)N1CCN([C@]2(C(=O)OC)CCOC2)CC1 1602834606 ACKVMBWLDQWYNT-IUODEOHRSA-N 312.366 -0.035 30 20 DBED N#Cc1cn(CC(=O)NC[C@@H](CC2CC2)C(=O)O)c(=O)nc1O 1608223011 NCYLVLGGAGUMLH-SECBINFHSA-N 320.305 -0.562 30 20 DBED CC(=O)N1CC(C(=O)NS(=O)(=O)c2ccccc2C#N)C1 1645709944 CYLFAUNERSYNIK-UHFFFAOYSA-N 307.331 -0.159 30 20 DBED N#C[C@H]1COCCN1C(=O)c1cccc(CS(N)(=O)=O)c1 1649714822 TVDZLADQHHVOGX-LBPRGKRZSA-N 309.347 -0.160 30 20 DBED C[C@@H](C#N)OCCN(C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 1649794319 WGYKVMROYZIRDG-WDEREUQCSA-N 303.384 -0.850 30 20 DBED CNC(=O)C1(C(=O)NCC[C@H](C)NCC(=O)NCC#N)CCC1 1663001473 QOWFWBNRVTXTJC-NSHDSACASA-N 323.397 -0.973 30 20 DBED Cc1nnsc1C(=O)N[C@@H]1CCCN(CC(=O)NCC#N)C1 1713786302 LHLHSHQSDBTQTB-SNVBAGLBSA-N 322.394 -0.320 30 20 DBED C=CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)c2nnn(C)c2C)C1 1752556914 UCALIVKFKUJBQJ-JQWIXIFHSA-N 320.397 -0.382 30 20 DBED C#CCNC(=O)[C@H](C)NCCN(C)C(=O)c1cccn(C)c1=O 1753252678 INYZNSGNESWBOE-LBPRGKRZSA-N 318.377 -0.815 30 20 DBED C=CCOCC(=O)NC1CN([C@@H](C)C(=O)NC(=O)NCC)C1 1753373373 TZIYFGUTAWCOIG-JTQLQIEISA-N 312.370 -0.776 30 20 DBED C#Cc1ccc(C(=O)NC[C@H](C)CNCC(=O)NC(N)=O)nc1 1753638969 ZAUZWOWDFJNCJB-SNVBAGLBSA-N 317.349 -0.787 30 20 DBED CNC(=O)Nc1cccc(C(=O)NC[C@H](O)CNCC#N)c1 1753934809 XNYYIBDWOGLESG-GFCCVEGCSA-N 305.338 -0.358 30 20 DBED C#CCCNC[C@@H](O)CNC(=O)Cn1ccc(C(F)(F)F)n1 1753934924 FZTALUCLWCKXCI-SNVBAGLBSA-N 318.299 -0.008 30 20 DBED C=CCNC(=O)[C@H](C)NC/C=C\CNC(=O)[C@H]1CCC(=O)N1C 1754162544 XVMKLHOLHVBRSC-AGFGORMFSA-N 322.409 -0.440 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)c2ccncn2)C[C@@H]1C 1754824855 UTHSXOMTYRLSPA-QWHCGFSZSA-N 315.377 -0.476 30 20 DBED C#CCNC1CCN(CCNC(=O)c2cc(=O)n(C)cn2)CC1 1754849211 KZPNSKOOHZIZDZ-UHFFFAOYSA-N 317.393 -0.803 30 20 DBED C#CCNC(=O)CN1CCC[C@H](NC(=O)[C@H](O)C(C)C)CC1 1755024434 YNASGGYYKQKYJB-DZGCQCFKSA-N 309.410 -0.277 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1CC2(C[C@H](NC(C)=O)CO2)C1 1755057040 OHNISFGAWLGSOY-JQWIXIFHSA-N 324.381 -0.634 30 20 DBED Cn1cnc(C(=O)NC2(CNCC#N)CCOCC2)cc1=O 1755095334 DHOZHJUFYVJWPO-UHFFFAOYSA-N 305.338 -0.828 30 20 DBED C#CCNC(=O)CN[C@H]1CN(C(=O)c2cc(OC)no2)C[C@@H]1C 1755106926 FAEWYZUBOKQFCD-QWRGUYRKSA-N 320.349 -0.517 30 20 DBED C#CCNC(=O)CN[C@H](C)[C@H](C)NC(=O)c1cn(CCC)nn1 1755264928 ZVPYIVNSXDRIHO-NEPJUHHUSA-N 320.397 -0.466 30 20 DBED C=C[C@@](C)(O)CC(=O)NC1(CCO)CN(Cc2cn(C)nn2)C1 1755331845 SODCABLWRMSJNQ-CQSZACIVSA-N 323.397 -0.805 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H](C)C1CN(Cc2nc(O)n[nH]2)C1 1755376895 LXNQEUYGXKGXQR-UWVGGRQHSA-N 307.354 -0.515 30 20 DBED C#CCNC(=O)CN1CC([C@@H](C)NC(=O)c2ccnc(C)n2)C1 1755391804 NJVHLZCIXFJCRF-LLVKDONJSA-N 315.377 -0.415 30 20 DBED CC1(C)CN(CC(=O)NCC#N)C[C@@H]1NC(=O)c1cncnc1 1755404955 IDHBSUBWCHABEP-LBPRGKRZSA-N 316.365 -0.443 30 20 DBED C#CCN[C@H](C)[C@H]1CN(C(=O)c2cnc(N(C)C)cn2)CCO1 1755441289 DKEYTKYBXICSBD-TZMCWYRMSA-N 317.393 -0.005 30 20 DBED C#CCCN[C@@H](C)[C@@H]1CN(C(=O)CCNC(=O)NC)CCO1 1755441341 DXXDUEYJNUOOJU-STQMWFEESA-N 310.398 -0.466 30 20 DBED COCC#CCN[C@H](CO)CNC(=O)c1csc2cncn12 1755640732 PPDMGSRXBSEMAS-NSHDSACASA-N 322.390 -0.274 30 20 DBED Cc1ncc(C(=O)NC[C@@H](CO)NC(=O)C#CC(C)C)n1C 1756543907 VIBWRMCAZNZIRE-LBPRGKRZSA-N 306.366 -0.405 30 20 DBED C=CCCC(=O)N[C@H]1CCN(C(=O)c2cn(C)nn2)C[C@@H]1O 1757562470 OEXDWVIQNHKXRJ-JQWIXIFHSA-N 307.354 -0.527 30 20 DBED C=CC[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(O)O)C2 1800485283 AGOSHLHGPCKOEO-WISYIIOYSA-N 312.366 -0.901 30 20 DBED O=C(C#CC1CC1)N1CCC2(CCCN(C(=O)C(O)O)C2)CC1 1805278707 AEHMCNZCGSCWGR-UHFFFAOYSA-N 320.389 -0.058 30 20 DBED NCC(=O)N1CCCC[C@H]1c1cc(NC(=O)C#CC(=O)O)n[nH]1 1822200089 HBVLMMSCCXHTEH-JTQLQIEISA-N 319.321 -0.552 30 20 DBED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)C(C)=O)C2)C1 1840172327 HDBKJGKYTNRZTL-OAHLLOKOSA-N 310.350 -0.392 30 20 DBED CNC(=O)CC(=O)N1CC2(CCCN2C(=O)C(C)(C)C#N)C1 1841136158 VJJSOCIEILESLV-UHFFFAOYSA-N 306.366 -0.124 30 20 DBED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)[C@H](O)CC)C1 1841279044 UPICOKHMCAXXRH-CHWSQXEVSA-N 308.378 -0.001 30 20 DBED Cn1cnc(C(=O)N2CC3(CCCN3C(=O)CCC#N)C2)n1 1842812563 RKASLNOFJOPPHW-UHFFFAOYSA-N 302.338 -0.064 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(CC(=O)N2CCCCC2)CC1 42536681 AEZANDYXLYDQCV-HNNXBMFYSA-N 320.437 -0.246 30 20 DBED CN(C)CCNC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 123942865 XBPFWVOXEQLMCE-UHFFFAOYSA-N 324.406 -0.143 30 20 DBED C#CCOCCC(=O)NC1CCN(CCS(C)(=O)=O)CC1 133039692 ANZVTHDVUOSVCG-UHFFFAOYSA-N 316.423 -0.349 30 20 DBED CC/N=C(/NCCNC(C)=O)N1CCO[C@@H](c2cnn(C)c2)C1 153308362 JDZAMPMUDCGRKG-CQSZACIVSA-N 322.413 -0.105 30 20 DBED N#Cc1ccc(S(=O)(=O)NCCCN2C(=O)CNC2=O)cc1 264437283 BELCYDZSKLXZQL-UHFFFAOYSA-N 322.346 -0.222 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N1CC[C@](F)(C(=O)OC)C1 267703310 VBJNOBMIHSHOMY-NOZJJQNGSA-N 301.318 -0.026 30 20 DBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@H](O)C1 268919889 QAFSCMKHGVJXGX-PWSUYJOCSA-N 323.374 -0.182 30 20 DBED CC[C@H](O/N=C(\N)C1=C(N)C2(CCCC2)N(C)C1=O)C(N)=O 274101553 WMWWLKKBTUMUTN-QMMMGPOBSA-N 309.370 -0.463 30 20 DBED O=C(CCNC(=O)c1[nH]nc2ccccc12)NCC#CCO 298830669 CHFGUCCBPBPXGH-UHFFFAOYSA-N 300.318 -0.205 30 20 DBED CCN1CCC[C@@H]1CN/C(N)=N/CCNS(=O)(=O)CC 303895454 PMVGCDDHAKEKMB-LLVKDONJSA-N 305.448 -0.686 30 20 DBED CS(=O)(=O)C1(C/N=C(/O)N2CCO[C@]3(CCOC3)C2)CC1 330027368 MZIQENWWWQRABA-GFCCVEGCSA-N 318.395 -0.031 30 20 DBED CC/N=C(/O)NC(=O)[C@H](C)N(CC)[C@@H]1CCS(=O)(=O)C1 330606080 NHTYYCVTWQNJGR-VHSXEESVSA-N 305.400 -0.066 30 20 DBED C[C@H](C/N=C(/O)N1CCO[C@@H](CO)C1)CN1CCOCC1 331200353 VDBBZRJINOEUHN-CHWSQXEVSA-N 301.387 -0.438 30 20 DBED CCN(CCC#N)S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)NC 336883062 GFCNPAGBBKXHRN-MNOVXSKESA-N 302.400 -0.029 30 20 DBED CC(C)N1CC[C@H](NS(=O)(=O)N2CCO[C@H](C#N)C2)C1=O 337079474 WGKXDWMDBVHCDM-MNOVXSKESA-N 316.383 -0.946 30 20 DBED CC(C)[C@@H]1CN(S(=O)(=O)N2CCO[C@H](C#N)C2)CCN1C 337195639 WBWKDOHRXXIFMM-OLZOCXBDSA-N 316.427 -0.272 30 20 DBED CCOCCOC[C@@H](O)CNS(=O)(=O)N(C)[C@@H](C)CC#N 337832575 SUCUATQFSVDNMR-RYUDHWBXSA-N 323.415 -0.531 30 20 DBED N#Cc1ccc(NC(=O)C(=O)N[C@H]2CC(=O)N(C3CC3)C2)nc1 340096761 BPHWGSNMKYZUOE-JTQLQIEISA-N 313.317 -0.229 30 20 DBED C=C(C)COCCNC(=O)NCCn1cc(C(=O)OC)nn1 341449839 JNUMTYLCPXFAJT-UHFFFAOYSA-N 311.342 -0.043 30 20 DBED CC(C)[C@H](C#N)NC(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1 343650554 GBKROWRKRQSAOS-ONGXEEELSA-N 313.383 -0.249 30 20 DBED COC(=O)[C@H]1CNC(=O)CN1C(=O)CCc1ccc(C#N)cc1 344854482 DJWFYPQIFZBITD-CYBMUJFWSA-N 315.329 -0.009 30 20 DBED C=CCNC(=O)CNS(=O)(=O)c1ccc(C(=O)OC)nc1 346567539 QYWUAJFVRQFMRL-UHFFFAOYSA-N 313.335 -0.551 30 20 DBED COC(=O)CN(CC#N)C(=O)Cn1ncc(=O)c2ccccc21 348788350 ZOWOZTGGBMRMLW-UHFFFAOYSA-N 314.301 -0.078 30 20 DBED CN1CC[C@H](NC(=O)C(=O)Nc2ccc(C#N)cc2F)C1=O 352494170 YWFGVHIZCKLLDJ-NSHDSACASA-N 304.281 -0.017 30 20 DBED N#Cc1ccnc(N2CCN(C(=O)[C@@H]3C[C@@H](O)CN3)CC2)c1 357901335 CSZHTOFOSWLTBX-OLZOCXBDSA-N 301.350 -0.675 30 20 DBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1nc[nH]n1 359792601 AAAJBVVLEKYPHU-QMMMGPOBSA-N 320.334 -0.018 30 20 DBED C=CCOC[C@H](NS(=O)(=O)N1CC[C@H](C)C1)C(=O)OC 360605292 QOZXOVMMWVLPQX-QWRGUYRKSA-N 306.384 -0.093 30 20 DBED CC(C)(C)OC(=O)N1CC2(C[C@H]2C(=O)NCC(=O)NCC#N)C1 367733418 IGIMADDCNXUSTC-JTQLQIEISA-N 322.365 -0.001 30 20 DBED N#Cc1ccc(S(=O)(=O)N2CCN3C(=O)OC[C@H]3C2)cn1 374570321 XTXHRFARLLOZRD-SNVBAGLBSA-N 308.319 -0.222 30 20 DBED CS(=O)(=O)N1CC(CNC(=O)CNc2ccc(C#N)cc2)C1 428887292 KOUKGTXATRYYDB-UHFFFAOYSA-N 322.390 -0.022 30 20 DBED C[C@H]1OCC[C@]1(O)CNC(=O)CNC(=O)c1ccc(C#N)cc1 447736008 IQRWSBNJKYAEJF-BZNIZROVSA-N 317.345 -0.056 30 20 DBED C#CCN1CCN(C(=O)CN[C@@H]2CCCC[C@H]2C(N)=O)CC1 490715232 VKGTWDOHNDQXAB-ZIAGYGMSSA-N 306.410 -0.603 30 20 DBED C#CCN(C)CCCNC(=O)N1CC[C@H](N2CCNCC2)C1 491651650 IAECUVDVTWGCFE-HNNXBMFYSA-N 307.442 -0.369 30 20 DBED COC(=O)N1CCN(C(=O)C(=O)Nc2ccc(C#N)cn2)CC1 495798323 LQFLDSRAAOVNDM-UHFFFAOYSA-N 317.305 -0.198 30 20 DBED COCCN(Cc1cnc2c(C#N)cnn2c1)[C@H](C)C(N)=O 515060028 GXPQPIFFRMHZSF-SNVBAGLBSA-N 302.338 -0.077 30 20 DBED CCN(CCC#N)C(=O)Cn1cnc2c(c1=O)CCNCC2 516284668 GRHFLSOAPBAHIQ-UHFFFAOYSA-N 303.366 -0.306 30 20 DBED COC[C@@H](CNCCS(=O)(=O)c1ccc(C#N)cn1)OC 567710620 NWCNWTJLEQODDL-GFCCVEGCSA-N 313.379 -0.022 30 20 DBED C[C@@H](CN(C)C)NC(=O)CNS(=O)(=O)c1cccc(C#N)c1 570209979 ZFJBZIWXRJGGFZ-NSHDSACASA-N 324.406 -0.097 30 20 DBED COC(=O)[C@H]1CNC(=O)CN1C(=O)c1c(F)cc(C#N)cc1F 580452107 RKSWTKBQSRBRER-SNVBAGLBSA-N 323.255 -0.050 30 20 DBED CC#CC[C@H](CO)NS(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] 592111338 IGWQEWLTKOQMBE-SECBINFHSA-N 316.339 -0.136 30 20 DBED N#Cc1ccc(=NCC(=O)N2CCc3cnc(N)nc3C2)[nH]c1 598951578 BXNYPHLVDYBNDA-UHFFFAOYSA-N 309.333 -0.256 30 20 DBED C=C[C@H](CO)N[C@@H](C)C(=O)N(CCC)[C@H]1CCS(=O)(=O)C1 662166049 YWXCVRGPWBDUNA-XQQFMLRXSA-N 318.439 -0.063 30 20 DBED C=CCn1c(COC)nnc1N(C)CC(=O)N1CCOCC1 685534161 WZHMXPNYOHENIE-UHFFFAOYSA-N 309.370 -0.095 30 20 DBED N#C[C@@H]1CN([C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)CCO1 737679836 SWAKMQGCTPLINZ-VXGBXAGGSA-N 313.321 -0.383 30 20 DBED N#Cc1cccnc1NCCN1C(=O)[C@@H]2C[C@@H](O)CN2C1=O 761028841 BPZGHRCVOVSOKE-MNOVXSKESA-N 301.306 -0.237 30 20 DBED C#C[C@@H](NC(=O)CN1CCS(=O)(=O)CC1)[C@H]1CCCO1 772885803 ZDCTVGKGEKBQFV-VXGBXAGGSA-N 300.380 -0.986 30 20 DBED N#CC1(NC(=O)COC(=O)Cn2ccc([N+](=O)[O-])n2)CCC1 784207746 CRFXCTGVVMKWKQ-UHFFFAOYSA-N 307.266 -0.103 30 20 DBED Cn1c(C=NOC[C@@H]2CCOC2)nc2c1c(O)nc(=O)n2C 788032504 UJQVIAZSAXTONK-MRVPVSSYSA-N 307.310 -0.240 30 20 DBED C=CCN1CC[C@H](OC(=O)[C@H]2CC(=O)N(CCOC)C2)C1=O 800128571 FWPNMXFIBJXYGT-RYUDHWBXSA-N 310.350 -0.189 30 20 DBED N#Cc1cc(-c2nn[nH]n2)c(S[C@@H]2CCNC2=O)nc1N 822818632 DSEYEOKUJVCGBS-SSDOTTSWSA-N 302.323 -0.304 30 20 DBED N#CCNC(=O)Cn1cc(C#N)c(I)n1 849923535 BABWPAINKVCRIB-UHFFFAOYSA-N 315.074 -0.001 30 20 DBED C=C(CNC(=O)c1noc(C)n1)CNC(=O)c1noc(C)n1 853870882 GMFGDMPWMMUGGP-UHFFFAOYSA-N 306.282 -0.215 30 20 DBED C#CCOCCOC(=O)COc1ccc(S(N)(=O)=O)cc1 853895474 LBKIHBFNDCDLFR-UHFFFAOYSA-N 313.331 -0.094 30 20 DBED N#CC1(CS(=O)(=O)NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CCC1 860671381 BHYQRQRNDCADQN-DTWKUNHWSA-N 315.351 -0.841 30 20 DBED C#CC1(O)CN(C(=O)COC2CN(C(=O)OC(C)(C)C)C2)C1 890523988 XCMHPKLJCLUISZ-UHFFFAOYSA-N 310.350 -0.171 30 20 DBED C=CCN(CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1)C(C)C 917070922 JMRPXAAJHSXLAE-LLVKDONJSA-N 317.411 -0.104 30 20 DBED C#CC[C@H](CO)NC(=O)N[C@H]1CCN(c2cc(C)nn2C)C1=O 920784209 BTUKVXBDHIZIRL-NEPJUHHUSA-N 319.365 -0.483 30 20 DBED O=C(NCC#CCO)N1CCC2(CCC2)S(=O)(=O)CC1 923768849 QDFHWMIPAIVCPV-UHFFFAOYSA-N 300.380 -0.265 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)c3nnn(C)n3)C2)cc1 938395464 FHHYPOPJGDJAPQ-ZDUSSCGKSA-N 324.344 -0.164 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)c2cc(C(N)=O)co2)C1 938797452 RINXAQZDJDRYRA-WPRPVWTQSA-N 304.306 -0.131 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](N(C)C(=O)CN2C(=O)CCC2=O)C1 939406631 RWGMXPBIXGDSFR-QWRGUYRKSA-N 320.349 -0.646 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CCN(C(=O)Cn3nccn3)C2)c[nH]1 940099378 ZINGMCRJARYYIZ-LLVKDONJSA-N 313.321 -0.491 30 20 DBED CO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1NC(=O)c1cncnc1 941594799 MGTRLVFKKMPXMI-MVWJERBFSA-N 303.322 -0.408 30 20 DBED Cc1ncncc1C(=O)NC[C@H]1CN(C(=O)[C@H](C)C#N)CCO1 944498588 URIXBSPIJZHGIO-PWSUYJOCSA-N 317.349 -0.098 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2cn(C)c(=O)nc2O)[C@@H](C)C1 944904955 AGTGNFPRLWFZDN-WCQYABFASA-N 318.377 -0.051 30 20 DBED CO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)[C@@]1(F)CCOC1 945904624 NKSCWEPQAAHWJG-XJKCOSOUSA-N 324.352 -0.130 30 20 DBED C=C(C)CN1CCN(C(=O)CN2CCCS2(=O)=O)CC1 948641988 UWVAORBSIOXCCS-UHFFFAOYSA-N 301.412 -0.258 30 20 DBED CCN(C(=O)c1ccc(C#N)[nH]1)C1CN([C@H]2CCNC2=O)C1 949912851 KDMTVBJTKAXCAN-ZDUSSCGKSA-N 301.350 -0.079 30 20 DBED C=CCCN1CCN(C(=O)C2CC3(C2)NC(=O)NC3=O)CC1 951706584 CBYIRLMPTIJINQ-UHFFFAOYSA-N 306.366 -0.305 30 20 DBED CCN(C(=O)c1cn(C[C@@H]2CCOC2)nn1)C1CN(CC#N)C1 957055530 ACQAASOMDVVUMG-LBPRGKRZSA-N 318.381 -0.016 30 20 DBED C=C(C)CCN1C[C@H](CNC(=O)C2CN(C(C)=O)C2)[C@@H](O)C1 958013849 CXDYDAYJVGLKML-ZFWWWQNUSA-N 309.410 -0.160 30 20 DBED CC#CCN1C[C@@H](O)[C@H](CNC(=O)c2ccnc3ccnn23)C1 958135767 SGZCGHFAVIQAHX-TZMCWYRMSA-N 313.361 -0.225 30 20 DBED N#CCN1C[C@H](CNC(=O)c2nc[nH]c3nccc2-3)[C@@H](O)C1 958220105 SOVAVSGIFXPUSA-ONGXEEELSA-N 300.322 -0.544 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2nnc3ccccc3n2)C1 958263617 RLSMIMHPYFGRMC-BXUZGUMPSA-N 311.345 -0.320 30 20 DBED COc1nc(C)ccc1C(=O)NC[C@H]1CN(CC#N)C[C@@H]1O 958458406 IIQXKMGSQZPFSE-AAEUAGOBSA-N 304.350 -0.055 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cnn(CCN(C)C)c2)C1 958468061 RCODHJRXCYHGQN-DZGCQCFKSA-N 319.409 -0.900 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2ccnn2C)C1 958725708 LLYSLNQDTFPHAW-DLOVCJGASA-N 305.338 -0.777 30 20 DBED CC(C)(F)C(=O)N[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1O 961142391 QRSAZTZUABVHEQ-MNOVXSKESA-N 308.313 -0.064 30 20 DBED C#CCN1C[C@@H]2C(NC(=O)c3cccc(-n4cncn4)n3)[C@H]2C1 962160977 BDEXEAPEEXIGSG-RYUDHWBXSA-N 308.345 -0.045 30 20 DBED C#CCCN1C[C@H]2C(NC(=O)[C@H]3CN(C(C)=O)CCO3)[C@@H]2C1 962438663 PQGKFCAQBQTOGO-MGPQQGTHSA-N 305.378 -0.697 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1NC(=O)c1ncn(C)n1 966396373 FTELHXJAZRTJRW-PWSUYJOCSA-N 301.350 -0.195 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CN(CC(=O)NC)CC[C@@H]2C)nn1 968406190 YLDWLQIMNHZSNX-NWDGAFQWSA-N 320.397 -0.350 30 20 DBED C[C@H]1CN(C(=O)CN[C@@H]2CCN(C(=O)C#CC3CC3)C2)CCO1 968629708 HIPVOJALFWYMIU-DZGCQCFKSA-N 319.405 -0.162 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)Cc3nc[nH]n3)C[C@@H]2O)C1 970398752 LNUUBAHNXXSDFI-MNOVXSKESA-N 319.365 -0.609 30 20 DBED C#CCCN1CCO[C@]2(CCN(C(=O)[C@H]3COC(=O)N3)C2)C1 972365379 SIDVRELOMSJNPA-IUODEOHRSA-N 307.350 -0.579 30 20 DBED C#CCN(C)[C@@H]1CCN(C(=O)Cn2nc3n(c2=O)CCCC3)C1 972683439 JSNPILYWNXGTLD-CYBMUJFWSA-N 317.393 -0.453 30 20 DBED O=C1N[C@H](C(=O)NC[C@@H]2CCCN(C(=O)C#CC3CC3)C2)CO1 975248396 CXFZZUIVTKAQOP-STQMWFEESA-N 319.361 -0.137 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H]2C[C@@H](CNC(=O)c3nc[nH]n3)C2)c1 979131580 AVNKTTLOCRMLAA-WAAGHKOSSA-N 313.321 -0.057 30 20 DBED C[C@H](NCc1cnn(C)n1)[C@@H]1CN(C(=O)C#CC2CC2)CCO1 979330740 KBQLLOMWTKPWSC-WFASDCNBSA-N 317.393 -0.066 30 20 DBED C#Cc1cncc(C(=O)N[C@H]2CCC[C@@H](NC(=O)C(N)=O)C2)c1 983706501 YAWBHVJTOGMSAQ-QWHCGFSZSA-N 314.345 -0.295 30 20 DBED C#CCN1CCCN(C(=O)C[C@@]2(C)CCS(=O)(=O)N2)CC1 989557140 DQFCSMDSOIWDPO-CQSZACIVSA-N 313.423 -0.374 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2CC(=O)N(C)C2)C1 993781695 MYBSJCVOQVVSOY-UHTWSYAYSA-N 321.377 -0.617 30 20 DBED C#CCN1CC[C@H](n2cc(CNC(=O)c3cncnc3)nn2)C1 999987273 XQNOHGIQWHDKIE-AWEZNQCLSA-N 311.349 -0.122 30 20 DBED C=CCn1cc(C(=O)N[C@@H](C)C2CN(C(=O)COC)C2)nn1 1006111765 SEDREDHKFHDYSJ-JTQLQIEISA-N 307.354 -0.313 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](CNC(=O)c3ccc(O)nn3)[C@H]2C1 1008760240 OGJMJUVIHTZPIC-XWLWVQCSSA-N 315.333 -0.224 30 20 DBED C[C@@H]1OCCO[C@@H]1C(=O)N1CCN(C(=O)C#CC2CC2)CC1 1011107257 CIHNAIXLGWMAQU-WFASDCNBSA-N 306.362 -0.126 30 20 DBED C[C@H]1CC[C@@H](NC(=O)Cn2ncnn2)CN1C(=O)C#CC1CC1 1018170643 BAMVUNYSIYIJIS-WCQYABFASA-N 316.365 -0.418 30 20 DBED N#CCN1[C@H]2CC[C@H]1CC(NC(=O)c1nccnc1C(N)=O)C2 1021454627 PEULOLKIESKWOQ-QWRGUYRKSA-N 314.349 -0.176 30 20 DBED CC[C@@H](OC)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 1023429822 YGHIBJUPLLUMOK-JHJVBQTASA-N 320.349 -0.387 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H](C)n2cncn2)C1 1023460075 PHVSMKZZVZJZPK-QJPTWQEYSA-N 321.381 -0.261 30 20 DBED Cn1c(O)ncc(C(=O)NC[C@@H]2CCCCN2CC#N)c1=O 1024593417 NRWGYQLTWFRYHR-JTQLQIEISA-N 305.338 -0.406 30 20 DBED C=CCN[C@@H]1CC[C@@H]2CN(C(=O)CCn3ncn(C)c3=O)C[C@H]21 1026314348 ADNDNVRKKBGFLV-MGPQQGTHSA-N 319.409 -0.016 30 20 DBED CC#CCN1CCC[C@@H]1CNC(=O)[C@@H]1CN(C(C)=O)CCO1 1028295521 PZZUSNWEVLAWDP-CABCVRRESA-N 307.394 -0.162 30 20 DBED C=CCn1cc(C(=O)NC2CN(Cc3nc(C)no3)C2)nn1 1031069868 CTIGTBLNCMVLAW-UHFFFAOYSA-N 303.326 -0.230 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)c3cccnn3)C2)C1=O 1031134401 WJICPMAITBXRNP-CYBMUJFWSA-N 301.350 -0.323 30 20 DBED C#CCN1CCCC[C@@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)C1 1034511417 AVLFOFZWDHRUAY-GFCCVEGCSA-N 320.393 -0.079 30 20 DBED C#CCN1CCO[C@H](CNC(=O)c2cnc(N(C)C)cn2)C1 1035372661 CMLNDISATVNULS-GFCCVEGCSA-N 303.366 -0.394 30 20 DBED CCC(=O)N1CCC[C@@H](C(=O)NC[C@H]2CN(CC#N)CCO2)C1 1035374229 CIZAICCAIOCRFG-KGLIPLIRSA-N 322.409 -0.024 30 20 DBED CC(=O)N1CCC[C@H](C(=O)NC[C@@H]2CN(CC#N)CCO2)C1 1035437325 HBVNXAFEVRXDLO-UONOGXRCSA-N 308.382 -0.415 30 20 DBED C[C@H]1CN(C(=O)CN2C(=O)CN(C)C2=O)CC[C@H]1NCC#N 1036287220 VWOXDXHZHVFKPF-WDEREUQCSA-N 307.354 -0.769 30 20 DBED C=CCO[C@H](C)C(=O)N1CC[C@@](O)(CNC(=O)c2cnco2)C1 1040383406 LMQAGRRNBVLQOB-IAQYHMDHSA-N 323.349 -0.041 30 20 DBED N#Cc1ccc(N2C[C@@H]3CCN(C(=O)Cn4nccn4)[C@@H]3C2)nn1 1040730464 FXCZKYXJMZHUBH-WCQYABFASA-N 324.348 -0.323 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)C2(CN(C)C)CC2)C1 1040761135 RPKSAXQRONMXAM-LRDDRELGSA-N 322.409 -0.433 30 20 DBED Cc1ncncc1C(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1041681086 ZBNZUIZQNSWHPK-UHFFFAOYSA-N 314.345 -0.498 30 20 DBED C=CCCO[C@H](C)C(=O)NCC1(O)CN(C(=O)c2cocn2)C1 1041874712 VNDKCZZQDDJELU-LLVKDONJSA-N 323.349 -0.041 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)[C@@]2(C)CCC(=O)NC2)C1 1041972940 LWQDXRFHVCCSJM-HNNXBMFYSA-N 323.393 -0.442 30 20 DBED C[C@H](C(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1)[C@H]1CCCO1 1042960103 FBLSTOOHAJLZBK-GXTWGEPZSA-N 320.389 -0.096 30 20 DBED C=CCCOCC(=O)NCC1(O)CN(C(=O)c2cncnc2)C1 1043567733 FGPJEICUCNRBDH-UHFFFAOYSA-N 320.349 -0.628 30 20 DBED Cc1cnoc1C(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1044156126 GWLBSVDGFFIGAX-MNOVXSKESA-N 314.305 -0.376 30 20 DBED CN(C)c1cc(C(=O)N(C)[C@H]2CN(CC#N)C[C@@H]2O)ccn1 1047552608 NFXNLNJLUCFPJL-STQMWFEESA-N 303.366 -0.212 30 20 DBED C=CCCOCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cocn2)C1 1048546954 AGMXOKCJWGQDOR-STQMWFEESA-N 323.349 -0.089 30 20 DBED C=CCOCC(=O)N[C@@H](C)[C@H]1CCN(C(=O)Cn2cnnn2)C1 1049968471 MKCGRPPNZNKMSV-RYUDHWBXSA-N 322.369 -0.771 30 20 DBED C[C@@H](NC(=O)CCNC(N)=O)[C@@H]1CCN(C(=O)C#CC2CC2)C1 1050674299 YSAZFLBXJCJTNJ-DGCLKSJQSA-N 320.393 -0.189 30 20 DBED C=C(Cl)CN1CCOC[C@@H]1CNC(=O)[C@H]1COCCN1C 1050878938 DOKXIWIVHWKJHD-QWHCGFSZSA-N 317.817 -0.114 30 20 DBED CC#CCN1CCOC[C@@H]1CNC(=O)[C@@H]1CCNC(=O)CC1 1051046529 PSZQYIBJSOGLGL-KBPBESRZSA-N 307.394 -0.257 30 20 DBED C=CCCn1cc(C(=O)NC[C@@H]2COCCN2CCOC)nn1 1051156609 VHUCEFUTIMELIO-CYBMUJFWSA-N 323.397 -0.069 30 20 DBED CCOc1cnc(C(=O)N[C@H]2COC3(C2)CN(CC#N)C3)cn1 1054025305 VXYBZIPWVSPBEB-LLVKDONJSA-N 317.349 -0.028 30 20 DBED Cc1cc(N2CCN(C(=O)Cn3ncnn3)CC2)c(C#N)cn1 1055912424 JPILGHIZJKLJLX-UHFFFAOYSA-N 312.337 -0.403 30 20 DBED CCN(CC)CC(=O)N1CCC[C@@](CO)(NC(=O)[C@H](C)C#N)C1 1056096354 HIFHFMDBZIOIEE-CZUORRHYSA-N 324.425 -0.042 30 20 DBED C[C@H](C#N)C(=O)N[C@]1(CO)CCCN(C(=O)C(C)(C)C(N)=O)C1 1056096432 IMSPQTWUGCWRDM-MEBBXXQBSA-N 324.381 -0.873 30 20 DBED Cn1nncc1C(=O)NC1[C@@H]2CN(c3ncccc3C#N)C[C@@H]12 1056194915 PXGRZWXLQDUEBR-GHMZBOCLSA-N 309.333 -0.054 30 20 DBED C[C@H](C(=O)N1CC[C@@H](Nc2cnc(C#N)cn2)C1)S(C)(=O)=O 1056816656 KJOHVSJNSFHHHQ-NXEZZACHSA-N 323.378 -0.206 30 20 DBED CN(c1ncccc1C#N)[C@H]1CCN(C(=O)Cn2ncnn2)C1 1056967613 FNGJSDPCDXTZQH-LBPRGKRZSA-N 312.337 -0.323 30 20 DBED N#Cc1cc(C(=O)N(CCO)CCNC(=O)C#CC2CC2)c[nH]1 1057391896 RFYNSIAVEJHUKN-UHFFFAOYSA-N 314.345 -0.150 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)CN1CCCC1=O 1057439535 QUPUQMZGUDLLOO-UHFFFAOYSA-N 323.393 -0.651 30 20 DBED C#CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)c1ccco1 1057583413 PHRFPKDTWRGMNN-LBPRGKRZSA-N 308.334 -0.131 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H]1CCCN(C(=O)[C@@H]2CCNC2=O)C1 1057724501 HXOOIELVMOINMM-CHWSQXEVSA-N 313.361 -0.086 30 20 DBED C=C(C)C(C)(C)C(=O)NCCN(CCO)C(=O)c1cnn[nH]1 1058060318 UHZWGSXXVBWBPC-UHFFFAOYSA-N 309.370 -0.042 30 20 DBED N#Cc1nccc(N2CC[C@H](NC(=O)Cn3cnnc3O)C2)n1 1058320461 CNPCAIAZAIVOIB-VIFPVBQESA-N 314.309 -0.960 30 20 DBED C=CCCCC(=O)N(CCO)CCNC(=O)Cc1n[nH]c(C)n1 1058621509 JBHZUHSHSDGKLO-UHFFFAOYSA-N 323.397 -0.051 30 20 DBED N#Cc1cnc(N2CCC[C@@H]2CNC(=O)[C@@H]2CNC(=O)N2)cn1 1061440466 FGVZBAYUFOVECX-MNOVXSKESA-N 315.337 -0.885 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1COCCN1C(=O)c1cnsn1 1061569219 AIRHVCHNMIBYHC-LLVKDONJSA-N 320.374 -0.091 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)c1cn(C)cn1 1061848923 WUAQHSTUVSHGLV-GHMZBOCLSA-N 305.338 -0.463 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)Cc2ncc[nH]2)CCO1 1065522442 WAHMMKBNRQAVMI-ZDUSSCGKSA-N 318.377 -0.045 30 20 DBED CCOCC(=O)N1CCN([C@H]2CCN(C(=O)[C@H](C)C#N)C2)CC1 1065710606 ASMDXWZWKZEUBQ-KGLIPLIRSA-N 322.409 -0.072 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CCCN(C(=O)CN2CCOCC2)C1 1070626373 AEEFHQBLGAQSKW-OAHLLOKOSA-N 319.405 -0.161 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)Cc4cnn(C)c4)C[C@@]3(C1)O2 1070771136 RBBKPKQRRBRIDP-BFYDXBDKSA-N 314.389 -0.103 30 20 DBED Cc1cc(C(=O)N2CCC(=O)NCCN(CC#N)CC2)nn1C 1070944664 HTUMPQLCJACHBE-UHFFFAOYSA-N 318.381 -0.484 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)[C@H]2CC[C@H]2C(N)=O)CC1 1070984112 UKWJMLDMXQWABO-OLZOCXBDSA-N 322.409 -0.666 30 20 DBED C=CCN1CCC2(C1)CN(C(=O)Cn1ccc(=O)n(C)c1=O)C2 1072799653 PSOKAKTZRQFOFO-UHFFFAOYSA-N 318.377 -0.733 30 20 DBED C=CCCn1cc(C(=O)NCC2(O)CCN(C(C)=O)CC2)nn1 1074388258 AUHVTRALOJLTOJ-UHFFFAOYSA-N 321.381 -0.043 30 20 DBED C[C@H]1C[C@@H](NC(=O)CC(N)=O)CCN1C(=O)CSCC#N 1074908525 ZXHLYVVBHIHDMZ-UWVGGRQHSA-N 312.395 -0.386 30 20 DBED C[C@H](C(N)=O)N1C[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)[C@@H]2C1 1075698314 VYHMEYCDEDZSPW-GBIKHYSHSA-N 301.350 -0.094 30 20 DBED C=C[C@](C)(O)CC(=O)NCC[C@H](C)NC(=O)CC(=O)NCC 1076300841 WDPWPQYXHPCVJK-NHYWBVRUSA-N 313.398 -0.149 30 20 DBED C[C@@H](CCNC(=O)C#CC1CC1)NC(=O)[C@H]1CC(=O)N(C)C1 1076432255 IXBIGKHXVUGTHL-AAEUAGOBSA-N 305.378 -0.111 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3c[nH]nc3C2)C1 1078207781 BAEGTJXPAHRWHP-NILFDRSVSA-N 302.378 -0.301 30 20 DBED CCN(C(=O)C#CC(C)C)C1CN(C(=O)CS(C)(=O)=O)C1 1079724727 ZOIZTYLORAKNDS-UHFFFAOYSA-N 314.407 -0.250 30 20 DBED C=CCOCC(=O)N1CCC(CO)(NC(=O)COCC)CC1 1080699577 OWFZKWJDWUJKHK-UHFFFAOYSA-N 314.382 -0.305 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@H](CNC(=O)CNC(=O)C2CC2)C1 1081299772 JKALCTQJYFNGOS-OLZOCXBDSA-N 323.393 -0.586 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)C2=COCCO2)C[C@H]1O 1081460789 LMSONIUZPMLKMI-QWHCGFSZSA-N 322.361 -0.531 30 20 DBED Cn1cc(C(=O)N2C[C@@H](O)[C@H](CNC(=O)C#CC3CC3)C2)cn1 1081468540 LICUZXGNYHFJEA-TZMCWYRMSA-N 316.361 -0.617 30 20 DBED C=CCCOCC(=O)NC[C@H]1CN(C(=O)C(F)F)C[C@H]1O 1081570235 ZRPHUUSGYQQCMJ-VHSXEESVSA-N 306.309 -0.220 30 20 DBED N#Cc1c[nH]c(C(=O)N2CCCC[C@H]2CNC(=O)C(N)=O)c1 1081988273 BYTJTOLEUSCHSS-JTQLQIEISA-N 303.322 -0.517 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@@H]2CCc3nn[nH]c3C2)[C@H](OC)C1 1082324716 XWBKUAXAIIZJMF-LERXQTSPSA-N 303.366 -0.642 30 20 DBED C=CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cn(CCOC)nn1 1083079522 CYBRRHOLMMLPHQ-UONOGXRCSA-N 321.381 -0.364 30 20 DBED C=CCn1cc(C(=O)N2C[C@H]3CCN(C[C@@H](C)O)C[C@H]32)nn1 1084708949 CAYBURGQDDJICP-YRGRVCCFSA-N 305.382 -0.009 30 20 DBED CC(=O)N1CCOC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1NCC#N 1085428021 IUXBJOKHJSYERQ-MGPQQGTHSA-N 308.382 -0.226 30 20 DBED CC1(C)C[C@@H](NC(=O)CN2CCNC(=O)C2)CCN(CC#N)C1 1089456478 IRJGIRBSFJVBKN-ZDUSSCGKSA-N 321.425 -0.451 30 20 DBED CCN(c1ncccc1C#N)[C@H](C)CNC(=O)[C@@H]1CNC(=O)N1 1089728960 VQVUENFFENWICY-PWSUYJOCSA-N 316.365 -0.034 30 20 DBED CC(=O)NCC(=O)N[C@H](C)CCCCN=c1cc[nH]c(C#N)n1 1090031299 IJRPGBGSMSGXMG-LLVKDONJSA-N 318.381 -0.007 30 20 DBED COC[C@@H](C)C(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@H]1O 1090387280 IZCDALMGLWJFMB-MPKXVKKWSA-N 304.350 -0.099 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2ccnc(OC)n2)[C@@H](O)C1 1090424512 ZGOOPUVQCIEBSG-YPMHNXCESA-N 304.350 -0.327 30 20 DBED Cn1nnc2cc(C(=O)N[C@H]3CCN(CC#N)C[C@H]3O)cnc21 1090440789 GVUNBLPAQKYQEL-CMPLNLGQSA-N 315.337 -0.948 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2c(O)nnc(C)c2C)[C@H](O)C1 1090483868 UXODWCCGJYKHOY-VXGBXAGGSA-N 304.350 -0.403 30 20 DBED C=CCCN1CC[C@@H](NC(=O)c2cccc(C(N)=O)n2)[C@@H](O)C1 1090839324 KKYIULUWUFENKC-RISCZKNCSA-N 318.377 -0.078 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2ccc(C(N)=O)nc2)[C@@H](O)C1 1090852225 OQJPAQVVOABSTH-OCCSQVGLSA-N 316.361 -0.631 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1C[C@@H](CNC(=O)CCNC(N)=O)C1 1091347475 FLXBDQHSAVTEEI-KLPPZKSPSA-N 316.365 -0.260 30 20 DBED C#CCN1C[C@@H](C)[C@H](CNC(=O)C2CC3(C2)NC(=O)NC3=O)C1 1093040613 SFRCTFCFZHDICQ-QZCIIZHISA-N 318.377 -0.708 30 20 DBED CN1C[C@H](C(=O)N2CCC(OC3CN(CC#N)C3)CC2)CC1=O 1093540288 HQWYXVPUFGMAOT-GFCCVEGCSA-N 320.393 -0.320 30 20 DBED N#Cc1nc(=NCCNC(=O)[C@H]2CCC[C@H](C(N)=O)C2)cc[nH]1 1093861613 CJQYIURMCFESDK-QWRGUYRKSA-N 316.365 -0.410 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)Cn3cccn3)CC2=O)C1 1094705675 OOSLTWMMQFAHKA-GFCCVEGCSA-N 303.366 -0.530 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)c3nocc3C)CC2=O)C1 1094800907 FQKRHTVONGRIGA-NSHDSACASA-N 302.334 -0.369 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1CCCN(C(=O)CCNC(N)=O)C1 1095296114 QSZYBZUMRCPVPG-LBPRGKRZSA-N 316.365 -0.164 30 20 DBED CCN(CCCNC(=O)[C@H]1CCC(=O)N1)c1cncc(C#N)n1 1095847166 GLJOGJONQGPHAW-GFCCVEGCSA-N 316.365 -0.041 30 20 DBED C[C@H](NC(=O)CC(N)=O)[C@H]1CCCN(c2nccnc2C#N)C1 1097516294 BPXKMKANLWQIHD-QWRGUYRKSA-N 316.365 -0.055 30 20 DBED C[C@H](CNC(=O)Cn1cnnc1O)Nc1ccc(C#N)nc1 1097787287 DYRXMKPBZIOXQN-SECBINFHSA-N 301.310 -0.133 30 20 DBED COCCO[C@H](C)C(=O)NC[C@H](C)N=c1cc[nH]c(C#N)n1 1098055434 ZYCMGDPVEIPCPX-WDEREUQCSA-N 307.354 -0.262 30 20 DBED COCC(=O)N[C@@H](C)C(=O)NC[C@@H](C)N=c1cc[nH]cc1C#N 1098343135 WTYGIDZASHKLHN-MNOVXSKESA-N 319.365 -0.557 30 20 DBED N#CCN(CCO)C1CCN(C(=O)[C@@H]2CC[C@H]2C(N)=O)CC1 1098447754 WFWOWTRKOVUNRO-CHWSQXEVSA-N 308.382 -0.693 30 20 DBED C#CCN(CCO)C1CCN(C(=O)C(=O)N2CC[C@H](C)C2)CC1 1098528689 LTESJYYSALGTGW-AWEZNQCLSA-N 321.421 -0.227 30 20 DBED C=CCOCC(=O)N1CC[C@H](n2cc(CNCCO)nn2)C1 1098638263 WJNJWJYPBQIPIO-ZDUSSCGKSA-N 309.370 -0.664 30 20 DBED C#CCCCC(=O)N[C@@H]1CCN(Cc2nnnn2C)C[C@@H]1O 1099806454 BBZSNRDGEZIMAC-NEPJUHHUSA-N 306.370 -0.935 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CNC(=O)C2CCCC2)[C@H](O)C1 1099848510 VWCBKVHIYCQWPI-HUUCEWRRSA-N 321.421 -0.133 30 20 DBED C=CC(C)(C)CC(=O)N[C@@H]1CCN(CC(=O)NCC#N)C[C@@H]1O 1099850004 LFGMVDBMJZNMLB-OLZOCXBDSA-N 322.409 -0.220 30 20 DBED COC(=O)[C@H]1C[C@@H]1C(=O)NCCN(C)c1nccnc1C#N 1099961413 SDVKMDFZYCOBCF-UWVGGRQHSA-N 303.322 -0.290 30 20 DBED CCCNC(=O)NC(=O)CNC1CC(CNC(=O)[C@@H](C)C#N)C1 1100191398 JIUSLJFYQIZXAP-UNXYVOJBSA-N 323.397 -0.134 30 20 DBED CCN(CCNC(=O)[C@H]1COCCN1C)c1ccc(C#N)nn1 1100491359 CJAHSKJKOFZGGW-CYBMUJFWSA-N 318.381 -0.379 30 20 DBED CCN(CCNC(=O)[C@H](C)NC(N)=O)c1nc(C)cc(C#N)n1 1100501133 WOELJUDCCPYHSU-JTQLQIEISA-N 319.369 -0.344 30 20 DBED CS(=O)(=O)CC(=O)NC[C@@H]1CCCN1c1nccnc1C#N 1100801640 ULHMORYKNMLOLS-JTQLQIEISA-N 323.378 -0.522 30 20 DBED CCc1nc(C#N)cc(N2CCC[C@H]2CNC(=O)C(N)=O)n1 1100894045 OORXPBPJZBKKKQ-JTQLQIEISA-N 302.338 -0.519 30 20 DBED CCNC(=O)CC(=O)NC[C@H]1CCN(c2ccc(C#N)nn2)C1 1100976193 YKWJIOPOPYGLPS-LLVKDONJSA-N 316.365 -0.183 30 20 DBED CC[C@@H](C)C(=O)NCC(=O)N(C)CCN=c1cc[nH]c(C#N)n1 1101626980 JNKMFNDTXXYYRU-LLVKDONJSA-N 318.381 -0.197 30 20 DBED CCc1nc(C#N)cc(N2CC[C@H](CCNC(=O)C(N)=O)C2)n1 1102387451 SIHWCKSEOUPCEN-JTQLQIEISA-N 316.365 -0.271 30 20 DBED CC[C@@H](CNC(=O)[C@@H](CC)NC(C)=O)N=c1cc[nH]c(C#N)n1 1103317098 AGDMPJIMYNBVAO-NWDGAFQWSA-N 318.381 -0.008 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(n2cc(CNCCCO)nn2)C1 1105240748 ZSSNTSGVEVEYHW-LBPRGKRZSA-N 321.381 -0.828 30 20 DBED Cc1cc(C#N)nc(N(C)CCN(C)C(=O)CNC(N)=O)n1 1105321812 MAYHHUXFASBIQP-UHFFFAOYSA-N 305.342 -0.780 30 20 DBED N#Cc1nccnc1NC[C@@H](O)CNC(=O)C1CCOCC1 1105699462 WGTSDPMEPXFNJI-LLVKDONJSA-N 305.338 -0.336 30 20 DBED Cc1nccc(C(=O)NC[C@@H](O)CN=c2cc[nH]c(C#N)n2)n1 1105861404 GFNZIPNVHWMVMF-JTQLQIEISA-N 313.321 -0.929 30 20 DBED COC[C@H](C)CC(=O)NC[C@@H](O)CN=c1cc[nH]cc1C#N 1105940415 AHYOFAJMXIXBLT-YPMHNXCESA-N 306.366 -0.063 30 20 DBED COCCO[C@@H](C)C(=O)NC[C@@H](O)CNc1cnc(C#N)cn1 1105963447 QINCCXFDLPCJFG-JQWIXIFHSA-N 323.353 -0.711 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)c2ccn(C)n2)C[C@H]1C 1106982661 NIPXXCKVRBMQLQ-CHWSQXEVSA-N 317.393 -0.533 30 20 DBED C=C[C@](C)(O)CC(=O)NC/C=C\CNc1nccn2nnnc12 1107148706 POFKFECBULRWGQ-WSNITJDQSA-N 317.353 -0.069 30 20 DBED CN(C)C(=O)CC(=O)NC/C=C\CN=c1cc[nH]c(C#N)n1 1107537204 AIDNNEJFZGWCDK-ARJAWSKDSA-N 302.338 -0.667 30 20 DBED C[C@]1(CNC(=O)[C@]2(C)CCC(=O)NC2)CN(CC#N)CCO1 1108152416 FACQXMMVTHDSMB-CABCVRRESA-N 308.382 -0.367 30 20 DBED COc1cncc(C(=O)NC[C@@]2(C)CN(CC#N)CCO2)n1 1108263761 ODZNEPYJLNMVIA-AWEZNQCLSA-N 305.338 -0.171 30 20 DBED C[C@@H](CN(C)c1cncc(C#N)n1)NC(=O)[C@@H]1CN(C)CCO1 1108905987 UMOOKBARQICVLB-AAEUAGOBSA-N 318.381 -0.380 30 20 DBED CCNC(=O)CC(=O)N[C@@H]1[C@H]2C[C@H]1N(c1cncc(C#N)n1)C2 1109704224 OPPMPWHZVYIIFC-ZVWUFJHRSA-N 314.349 -0.432 30 20 DBED N#Cc1nccnc1N1C[C@H]2C[C@H]1[C@H]2NC(=O)CCCC(N)=O 1109712142 SFYIOKMFCHJEAL-PUYPPJJSSA-N 314.349 -0.303 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)[C@H]1CN(c2cc(F)ncn2)C[C@@H]1O 1111190547 HSKHJJWOPPVJNO-SRVKXCTJSA-N 322.340 -0.338 30 20 DBED N#Cc1nccnc1N1CCC[C@H](NC(=O)CNC(N)=O)CC1 1111966547 SGBWQAFJFCEWCA-JTQLQIEISA-N 317.353 -0.508 30 20 DBED CO[C@H](C)C(=O)NC1(CN=c2cc[nH]c(C#N)n2)CCOCC1 1112242769 VQLUPXGEWXYKNF-LLVKDONJSA-N 319.365 -0.118 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCN(CCNC(=O)C2CC2)CC1 1112814957 ZGTDTZKKXIEXER-MRXNPFEDSA-N 309.410 -0.016 30 20 DBED C=CCNC(=O)NC(=O)CN1CCN(C(=O)C#CC2CC2)CC1 1112825045 RLAPCHZKAAFWPQ-UHFFFAOYSA-N 318.377 -0.444 30 20 DBED C=CCOCCN1CCN(C(=O)c2ccc(=O)n(C)n2)CC1 1113608869 NVNSVQGKVDFONV-UHFFFAOYSA-N 306.366 -0.259 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3cc(C)sn3)[C@H]2C1 1114189538 QKKXCKWLNXPWBQ-QWRGUYRKSA-N 318.402 -0.139 30 20 DBED C#CCOCCC(=O)NC1[C@@H]2CN([C@H](C)C(=O)NCC=C)C[C@@H]12 1114262606 GZHLJQIGTPZPRR-MGPQQGTHSA-N 319.405 -0.237 30 20 DBED C#CCOCCC(=O)NC1[C@H]2CN(Cc3cnnn3C)C[C@H]12 1114265083 AERDLQNYUPXOHS-STQMWFEESA-N 303.366 -0.599 30 20 DBED CCC(=O)N[C@H](C)C(=O)NC1[C@H]2CN(CC#CCOC)C[C@H]12 1114317669 YIJKBMLZFBGLNL-AGIUHOORSA-N 307.394 -0.403 30 20 DBED C[C@@H](CCCN=c1cc[nH]c(C#N)n1)NC(=O)CNC(N)=O 1114837150 XBCPLHZVAHSXPG-VIFPVBQESA-N 305.342 -0.865 30 20 DBED C=CCOCCN1C[C@@H]2C(NC(=O)C3(C(=O)NC)CC3)[C@H]2C1 1114972908 RWGYZWHCPFBBRM-RYUDHWBXSA-N 307.394 -0.238 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)NC1[C@H]2CN(CCO)C[C@H]12 1115302757 UYWOYYMGJWNQQC-QWRGUYRKSA-N 310.398 -0.711 30 20 DBED C=CCOCCN1C[C@H]2[C@H](NC(=O)[C@@H]3CCCN3C(N)=O)[C@H]2C1 1115346047 QFJQKQZSFAJUAY-RFQIPJPRSA-N 322.409 -0.222 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)C(=O)N[C@@H]2CCc3n[nH]cc3C2)C1 1118212111 YQVJWSPSQLEKJI-IAQYHMDHSA-N 317.349 -0.740 30 20 DBED CC(=O)N[C@H](C)C(=O)NC[C@H](CO)Nc1ccc(C#N)c(C)n1 1121178283 RRFXDOAHGCVWKK-ZWNOBZJWSA-N 319.365 -0.325 30 20 DBED C=CCO[C@H](C)C(=O)NC[C@H](CO)Nc1nccc(OC)n1 1121750031 VWGURLIRZYFITJ-GHMZBOCLSA-N 310.354 -0.035 30 20 DBED C#Cc1ccc(C(=O)NC[C@H](CO)Nc2nccnc2C#N)cn1 1121848356 WOEOSVPACKHKEM-CYBMUJFWSA-N 322.328 -0.073 30 20 DBED CC[C@H](NC(C)=O)C(=O)NC[C@@H](CO)Nc1cncc(C#N)n1 1122643490 DAWMMMKEPPJIBQ-RYUDHWBXSA-N 320.353 -0.848 30 20 DBED CC[C@H](NC(C)=O)C(=O)NC[C@@H](CO)Nc1ccc(C#N)nn1 1122644903 PYZSTQTWDQZXEB-RYUDHWBXSA-N 320.353 -0.848 30 20 DBED C=C[C@](C)(O)CC(=O)N(C)C[C@@H](O)CNc1cncc(C#N)n1 1124267733 XOWPTWIDIHGLLM-WFASDCNBSA-N 319.365 -0.093 30 20 DBED CCC[C@@H](OC)C(=O)N(C)C[C@@H](O)CN=c1cc[nH]c(C#N)n1 1124673069 YHAPTSYFXBPGRY-NWDGAFQWSA-N 321.381 -0.184 30 20 DBED CCS(=O)(=O)NCCCNCCNC(=O)C#CC1CC1 1126875162 BCZJSMZMCWFBIP-UHFFFAOYSA-N 301.412 -0.565 30 20 DBED C#CCO[C@@H](C)C(=O)NCCN[C@H]1CCN(C2CCC2)C1=O 1127052336 VKTWKZFGHMQPBZ-JSGCOSHPSA-N 307.394 -0.116 30 20 DBED COCC#CCNCCNC(=O)CN1C(=O)CC(C)(C)C1=O 1127374213 KQBDSKBIZHOOHG-UHFFFAOYSA-N 309.366 -0.873 30 20 DBED C#CCCN1CCn2ncc(CNC(=O)[C@@H](C)NC(C)=O)c2C1 1128178862 YQDCVOWLFRBIEY-GFCCVEGCSA-N 317.393 -0.137 30 20 DBED N#CCN1CCn2ncc(CNC(=O)CCc3nc[nH]n3)c2C1 1128312642 SPFOGHKHHVOYKP-UHFFFAOYSA-N 314.353 -0.411 30 20 DBED Cn1cc(C(=O)NCCNCC(=O)NCC#N)c(C2CC2)n1 1128334883 MWKGSRDZUYUCPK-UHFFFAOYSA-N 304.354 -0.743 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cn(C(C)(C)C)nn1 1128959707 IRZQLTAUQGOWBV-UHFFFAOYSA-N 306.370 -0.898 30 20 DBED C[C@H](CC(=O)NCCNCC(=O)NCC#N)c1cnn(C)c1 1131731564 CFUCSZLAWRXTSH-LLVKDONJSA-N 306.370 -0.741 30 20 DBED C[C@H]1CCN(C(=O)C(=O)NCC(F)F)C[C@@H]1CNCC#N 1132937426 KNDIZECYZQNHFO-UWVGGRQHSA-N 302.325 -0.035 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)c1nn(C)cc1C 1134333373 NNBRTMAUUTYUHZ-QWHCGFSZSA-N 319.409 -0.036 30 20 DBED COCCS(=O)(=O)CC(=O)N[C@H](C)C[C@H](C)NCC#N 1134749326 SOAGVTDMHZFOGW-WDEREUQCSA-N 305.400 -0.556 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)c1csnn1 1135101787 RCNHQSNDWAUEJA-ZJUUUORDSA-N 309.395 -0.226 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)C1(C(=O)NC)CC1 1135262912 GJXJRLHFEKRMRQ-UHFFFAOYSA-N 322.409 -0.581 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)C1(CN(C)C)CC1 1135299088 UEQRBHIWWOSDQA-KGLIPLIRSA-N 322.453 -0.050 30 20 DBED Cc1n[nH]c(C)c1[C@@H](C)C(=O)NCCNCC(=O)NCC#N 1135428778 KULKUXGQXZLYJR-SECBINFHSA-N 306.370 -0.524 30 20 DBED COCC#CCN[C@@H](C)C[C@H](C)NC(=O)CN1C(=O)CCC1=O 1146193551 PHCBZASAJLGPRV-STQMWFEESA-N 323.393 -0.342 30 20 DBED CC(C)N1CCC(C(=O)NCCNCC(=O)NCC#N)CC1 1146356256 RQJCXBJPZWMKAQ-UHFFFAOYSA-N 309.414 -0.548 30 20 DBED C=CCCN[C@@H](C)C[C@@H](C)NC(=O)CNC(=O)Cn1cncn1 1146563628 XKDUXOBLRUSVEH-QWHCGFSZSA-N 322.413 -0.157 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)c1coc(C)n1)C2 1147393121 ZXSGXEBCSODHNG-UHFFFAOYSA-N 316.361 -0.120 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@@H]1Cc2cccnc2C1 1149180088 ACBXOHJTEHJCIQ-CYBMUJFWSA-N 302.378 -0.196 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)c1cc[n+]([O-])cc1 1151736102 SWOYSHNOTDFHRD-GFCCVEGCSA-N 319.365 -0.600 30 20 DBED N#Cc1cc(C(=O)NCCCN[C@@H]2CCC(=O)NC2=O)c[nH]1 1156841378 KEBMJDRDRLAOFA-LLVKDONJSA-N 303.322 -0.599 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)CN(C)C(=O)C1CC1 1159218410 SWTRVEYWPRVDEL-GFCCVEGCSA-N 324.425 -0.359 30 20 DBED C=CCCOCC(=O)NCCCNC[C@H](O)COCCOC 1177260318 JANADBHCIHDCLL-AWEZNQCLSA-N 318.414 -0.301 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)CCn2cccn2)C1 1181039804 SCZAKTKKGCNJEO-ZIAGYGMSSA-N 317.393 -0.398 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2cnsn2)C1 1181217312 XNMXKDGSPPQIDG-NXEZZACHSA-N 307.379 -0.520 30 20 DBED C[C@H](C(=O)N1CC[C@@H](NCC(=O)NCC#N)C1)n1cccc1 1182023471 KEIBKAXNDUBHGS-CHWSQXEVSA-N 303.366 -0.121 30 20 DBED Cc1cc(C(=O)N2CC[C@H]3CN(CC(=O)NCC#N)C[C@H]32)on1 1186804829 WVSGRNWJOZFDMO-NWDGAFQWSA-N 317.349 -0.231 30 20 DBED C=CCOCC(=O)N1CC[C@H]2CN(CCS(C)(=O)=O)C[C@H]21 1187297140 YQTMKNAXSWYJPG-QWHCGFSZSA-N 316.423 -0.234 30 20 DBED N#CCN1C[C@@H]2CCN(C(=O)CCCN3C(=O)CCC3=O)[C@@H]2C1 1188113141 YBWOUNTXYBMXRQ-QWHCGFSZSA-N 318.377 -0.028 30 20 DBED C#CCCCC(=O)N1CC[C@@H](N(C)CC(=O)NC(=O)NC)C1 1189910104 LPYCSOACFQUMJM-GFCCVEGCSA-N 308.382 -0.222 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)/C=C(\C)C2CC2)C1 1191392046 FVGTUCHFAGPTAL-HHJRUMOQSA-N 319.405 -0.358 30 20 DBED COCC#CCN(C)[C@@H]1CCN(C(=O)[C@]2(C)CCC(=O)N2)C1 1192217016 BHEYSBRPONYCDK-CJNGLKHVSA-N 307.394 -0.162 30 20 DBED CCN1CC[C@@H](N2C[C@@H](O)[C@H](NC(=O)C#CC(C)(C)C)C2)C1=O 1192813560 LGGWUKRKJSXCMD-MGPQQGTHSA-N 321.421 -0.182 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2nc(C)c(C)o2)C[C@H]1O 1192844528 XCMJFCHKZAKLBN-MGPQQGTHSA-N 321.377 -0.009 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C2(C(F)F)CC2)C1 1192962045 ITEKZRCEAZYUKS-NXEZZACHSA-N 317.336 -0.505 30 20 DBED CN(CC(=O)NCC#N)[C@@H]1CCN(C(=O)c2ccc(O)nc2)C1 1193804480 BTDRKKQAIUAOIP-GFCCVEGCSA-N 317.349 -0.427 30 20 DBED C=CCC[C@H](C)N1C[C@@H](O)[C@H](NC(=O)CS(=O)(=O)CC)C1 1199081274 HVLLQTJIMYESGC-YNEHKIRRSA-N 318.439 -0.063 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(CC(=O)NCCC)C[C@H]1O 1199292692 QJSNDXKTFBXCOO-CHWSQXEVSA-N 313.398 -0.733 30 20 DBED COCCOC[C@@H](O)CNC1CCN(C(=O)[C@@H](C)C#N)CC1 1199815380 AKCPHYGJVGQVHO-JSGCOSHPSA-N 313.398 -0.249 30 20 DBED C#CCCCC(=O)N1CCCO[C@H](CNCC(=O)NCC#N)C1 1200404519 LXOCCAIUSWQZTF-CQSZACIVSA-N 320.393 -0.363 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)[C@@H]2CCCNC2=O)CC1 1201149928 PFVQJFGAQPMNGU-CYBMUJFWSA-N 322.409 -0.605 30 20 DBED C#CCNC[C@H]1CN(C(=O)[C@@H]2COCCN2C(C)=O)CCCO1 1202087922 OXFWDQITPFZOBT-GJZGRUSLSA-N 323.393 -0.926 30 20 DBED C=CCNC(=O)[C@@H](C)NCC1CCN(C(=O)CNC(C)=O)CC1 1204301828 QREQZJGXUFHKNL-GFCCVEGCSA-N 324.425 -0.359 30 20 DBED C#CCOCCC(=O)N1CCC(CNC[C@H](O)COC)CC1 1205258627 HVOFSJGAEIQAPD-HNNXBMFYSA-N 312.410 -0.138 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)C[C@@H]2CCCO2)[C@H](C)C1 1206156017 YBAAZKSTSDLOHQ-HZSPNIEDSA-N 307.394 -0.259 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)[C@]2(C)CNC(=O)C2)C1 1208688835 XHAXUUIHSIEZKO-LRDDRELGSA-N 322.409 -0.605 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)[C@@]2(C)CCOC2)[C@H](C)C1 1209732413 RGZDFSKSBHLYDB-IOASZLSFSA-N 307.394 -0.401 30 20 DBED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)c1ccsc1 1211827620 DVWHYVRWLZWBQV-VXGBXAGGSA-N 322.390 -0.183 30 20 DBED C#CCN1C[C@@H](NC(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)[C@H](OC)C1 1213192918 ZTKUDEIRQRHVIH-YIYPIFLZSA-N 323.393 -0.752 30 20 DBED C#CCN1C[C@@H](NC(=O)CNC(=O)c2cccs2)[C@H](OC)C1 1213812449 FMIIKRVEYYYDMS-VXGBXAGGSA-N 321.402 -0.074 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)c2cnn(C)c2)C[C@H]1C 1214104907 SSDNUQQQPPIHME-DGCLKSJQSA-N 303.366 -0.780 30 20 DBED COCCCNC(=O)CN[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1C 1214338202 LGSAREWLVYDMMS-JHJVBQTASA-N 310.398 -0.265 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)CCc2nc[nH]n2)C[C@H]1C 1214411057 BQMVZGUSZUOEKJ-CHWSQXEVSA-N 305.382 -0.176 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(CC2=CCCCC2)C[C@@H]1O 1219487333 LZZQMJTUJWMOSY-CABCVRRESA-N 319.405 -0.212 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)Cn2ccnc2C)C1 1220979016 ASDYUWWLTGHDPK-KGLIPLIRSA-N 306.366 -0.997 30 20 DBED C#CCCCCNC(=O)C(=O)N(C)CC(=O)N1CCOCC1 1259791248 RNXLTSBHHSVPHV-UHFFFAOYSA-N 309.366 -0.777 30 20 DBED C=CCn1cc(CNC(=O)CCCN2C(=O)CNC2=O)nn1 1261438663 MLKGCERNDVFUDT-UHFFFAOYSA-N 306.326 -0.588 30 20 DBED N#Cc1ccc(CNC(=O)C(=O)NC[C@H]2COCCO2)cc1 1323381526 WZUKIMQVJQNIAZ-ZDUSSCGKSA-N 303.318 -0.294 30 20 DBED COCC[C@@H](CO)NC(=O)C(=O)Nc1cc(C)n(CCC#N)n1 1325146065 NQQILRGZMIFTHT-NSHDSACASA-N 323.353 -0.443 30 20 DBED C/N=C(/NCCC(=O)N[C@@H]1CCS(=O)(=O)C1)NC1CC1 1327773085 RSYZBFFSZWBWEK-SNVBAGLBSA-N 302.400 -0.993 30 20 DBED CN(C)C[C@](C)(C#N)NC(=O)Cn1nc2n(c1=O)CCCCC2 1328628676 QWYMSEIHCBAUQP-HNNXBMFYSA-N 320.397 -0.269 30 20 DBED C#C[C@@H](NC(=O)C(=O)NCC(=O)N(CC)CC)[C@H]1CCCO1 1331607456 DNHGODPSONWVBH-VXGBXAGGSA-N 309.366 -0.732 30 20 DBED C=CC[C@@H]1NC(=O)N(CCC(=O)N2CCN(C(C)=O)CC2)C1=O 1332404295 GLKHWLVWQNMCPO-LBPRGKRZSA-N 322.365 -0.436 30 20 DBED C#CCN(C(=O)C(=O)NC[C@H]1CC(=O)N(C2CC2)C1)C(C)C 1333875354 YJHRFYBAUCLDKD-GFCCVEGCSA-N 305.378 -0.016 30 20 DBED C#CCN(C)c1nnnn1C1CCN(CC(=O)NCCC)CC1 1334298525 ATIVALHCZVTWHH-UHFFFAOYSA-N 319.413 -0.094 30 20 DBED C=CCn1c(CCO)nnc1N1CCC[C@H](N2CCNC2=O)C1 1340595564 ZOHKHUIECIATOB-LBPRGKRZSA-N 320.397 -0.007 30 20 DBED CN(C)C[C@](C)(C#N)NC(=O)C1CCN(S(C)(=O)=O)CC1 1343704166 HPIQITGXXRSYQS-ZDUSSCGKSA-N 316.427 -0.382 30 20 DBED C=CCN1CCC(NC(=O)C(=O)NC[C@@H](COC)OC)CC1 1346143489 QBFGKHNDPIANIY-ZDUSSCGKSA-N 313.398 -0.469 30 20 DBED Cc1nc([C@H]2CCN(c3[nH]c(=O)n(C)c(=O)c3C#N)C2)n[nH]1 1364206562 XZBUEQBUVADZOC-QMMMGPOBSA-N 301.310 -0.634 30 20 DBED Cn1c(=O)[nH]c(N2CC[C@@H]3NC(=O)CC[C@H]3C2)c(C#N)c1=O 1364208576 HXHYFPHMKABWGB-WPRPVWTQSA-N 303.322 -0.950 30 20 DBED CNC(=O)[C@H](Cc1cnc[nH]1)NS(=O)(=O)CC(C)(C)C#N 1364966238 RXRDUTQZOBIXBI-JTQLQIEISA-N 313.383 -0.464 30 20 DBED COCCn1cc(C(=O)NC[C@H](C)N(C)C(=O)[C@H](C)C#N)nn1 1382974662 NSEUNYFAUKDHAA-MNOVXSKESA-N 322.369 -0.339 30 20 DBED C[C@@H](C#N)C(=O)NC1CCN(C(=O)c2nccnc2N)CC1 1396822715 PODCYLLWZXFJAI-VIFPVBQESA-N 302.338 -0.061 30 20 DBED Cn1c(=O)[nH]c(N2CC(O)(c3ccc(F)cc3)C2)c(C#N)c1=O 1412901558 BNKJJEVBFCWQGU-UHFFFAOYSA-N 316.292 -0.208 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@](C)(NC(=O)CN2CCCNC2=O)C1 1417337806 XRIBJFUFLVVIFQ-NHYWBVRUSA-N 321.381 -0.331 30 20 DBED Cn1nncc1C(=O)NC[C@H](O)CNCc1ccc(C#N)cc1 1420122783 GTBZJSNKSYJQQN-CYBMUJFWSA-N 314.349 -0.433 30 20 DBED C[C@@H](CN(C)C(=O)c1cc(C(N)=O)ccn1)NC(=O)[C@H](C)C#N 1425134158 MPBGWWMSROJAOO-ZJUUUORDSA-N 317.349 -0.083 30 20 DBED C[C@@H](CNC(=O)[C@H](C)C#N)NC(=O)c1ccc2nnnn2c1 1433572362 GGIHBMAQZXPZTJ-BDAKNGLRSA-N 301.310 -0.482 30 20 DBED N#CC[C@]1(O)CCN(C(=O)c2cccc(-n3[nH]nnc3=N)c2)C1 1434124739 YUSMMEDXWXJASM-AWEZNQCLSA-N 313.321 -0.434 30 20 DBED CCN(CCC#N)C(=O)CN1CC(NC(=O)c2ccncn2)C1 1438082775 HCKZINQMPGFGQD-UHFFFAOYSA-N 316.365 -0.347 30 20 DBED N#Cc1ncn(CC(=O)N2CCS(=O)(=O)[C@H]3CCC[C@H]32)n1 1449611427 YHBGUVVQVWQPHT-ZJUUUORDSA-N 309.351 -0.672 30 20 DBED C[C@H](C#N)C(=O)N[C@H](CNC(=O)CCc1cnn[nH]1)C1CC1 1454220062 IQNJMZDJWZNMAW-BXKDBHETSA-N 304.354 -0.092 30 20 DBED N#C[C@H]1CN(S(=O)(=O)N2CC[C@]3(CCOC3=O)C2)CCO1 1475801768 WMJIDBSMKZLYHI-JQWIXIFHSA-N 315.351 -0.905 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CCN(C(=O)CNC(=O)C2CC2)C1 1527087670 MPVOYVXTJNJJHV-MNOVXSKESA-N 306.366 -0.363 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(CCN(C)C(=O)c2cc[nH]n2)CC1 1530103171 NHRIMKBVHHMYRN-LBPRGKRZSA-N 318.381 -0.214 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)C[C@@H]2CCCC(=O)N2)CC1 1535883590 BJSWARMPDWTPAD-QWRGUYRKSA-N 306.366 -0.030 30 20 DBED N#Cc1ncn(CCNC(=O)N2CC[C@@H]3[C@H](C2)[C@@H]3C(=O)O)n1 1574249446 WNZIUTORRFGOEX-WCABBAIRSA-N 304.310 -0.488 30 20 DBED CC(C)OC[C@H](CO)N(C)c1cnc(C#N)c(-c2nn[nH]n2)n1 1574318412 DRRNYGZUKIQTSK-VIFPVBQESA-N 318.341 -0.250 30 20 DBED C#CC[C@]1(C(=O)N[C@H]2CS(=O)(=O)C[C@H]2OC)CCCN1 1574516039 CVXFRFJQZUTPEB-DMDPSCGWSA-N 300.380 -0.940 30 20 DBED C#CCC[C@@H](O)CNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 1588337359 NTWBAYBGQYFTCG-LLVKDONJSA-N 321.362 -0.081 30 20 DBED C#CCN(C)C[C@H](O)CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 1588349064 AUBMOSKEDSGYAP-JTQLQIEISA-N 317.353 -0.807 30 20 DBED C=C(C)C(C)(C)C(=O)NCC1(O)CN(C(=O)[C@H]2C[C@@H]2C(=O)O)C1 1588530140 RLLSBFPTSNAQJU-QWRGUYRKSA-N 324.377 -0.001 30 20 DBED C=CC[C@H](CO)NC(=O)C(=O)Nc1sccc1-c1nn[nH]n1 1588545980 SXWJMYDISVKGJN-SSDOTTSWSA-N 322.350 -0.080 30 20 DBED C[C@@](C#N)(CC(=O)O)C(=O)NCC1(O)CCS(=O)(=O)CC1 1588556282 AIABYTWMQYFOOD-NSHDSACASA-N 318.351 -0.953 30 20 DBED C[C@@](O)(CNS(=O)(=O)c1ccc(C#N)cc1F)C(=O)O 1589147291 CBDQZEDITPIZEK-LLVKDONJSA-N 302.283 -0.189 30 20 DBED C[C@](O)(CNS(=O)(=O)Cc1ccc(F)cc1C#N)C(=O)O 1589148267 OXNHEBQDGFTYTC-LBPRGKRZSA-N 316.310 -0.048 30 20 DBED COC(=O)CCN(CC#N)C(=O)c1cnccc1-c1nn[nH]n1 1591264883 LKMQRVKSRTUSII-UHFFFAOYSA-N 315.293 -0.209 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@H](C)/C=C/C(=O)O 1599235939 YJHHIFLQGLHFGB-ORAHPGNNSA-N 305.356 -0.288 30 20 DBED C[C@H](NC(=O)[C@H](C)NC(=O)NCc1ccc(C#N)cn1)C(=O)O 1599898345 UTFQFCFFJZHGQZ-IUCAKERBSA-N 319.321 -0.270 30 20 DBED N#CCCN1CCN([C@@H]2CCCN(CCC(=O)O)C2=O)CC1 1601067614 APLHITCQAFPYPA-CYBMUJFWSA-N 308.382 -0.017 30 20 DBED C=CCOC[C@H](NC(=O)c1cnc(C(=O)OC)cn1)C(=O)O 1602913324 NNSUQOSEGBDTFK-JTQLQIEISA-N 309.278 -0.351 30 20 DBED C[C@H](C#N)C(=O)NCCCNc1nccnc1-c1nn[nH]n1 1602984261 VNEVTTZZACJVJV-MRVPVSSYSA-N 301.314 -0.265 30 20 DBED Cc1onc(CC(=O)NCC#CCN(C)C)c1-c1nn[nH]n1 1606179904 NETJJJMENVPZCQ-UHFFFAOYSA-N 303.326 -0.613 30 20 DBED CC(=O)N1CC(C(=O)N=C2NS(=O)(=O)c3ccccc32)C1 1645711703 YAIBOLQYRUAWFW-UHFFFAOYSA-N 307.331 -0.270 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)NC1CCN(CC(N)=O)CC1 1650030043 XEUZXKJOWSLTMU-JTQLQIEISA-N 317.415 -0.996 30 20 DBED C=C(C)CN(CC)C(=O)CN[C@@H](C)CNC(=O)[C@@H]1CCNC1=O 1752892231 ZJYWWHNEEAPFSU-QWHCGFSZSA-N 324.425 -0.359 30 20 DBED C#CCNC(=O)CN(C)CCNC(=O)[C@H]1CCN(C(=O)CC)C1 1753070025 SQASEZPKSCZDQS-ZDUSSCGKSA-N 322.409 -0.958 30 20 DBED C#CCNC(=O)CN1CC[C@@H](CNC(=O)c2nonc2C)C1 1753141330 WZBKDTOPTHFZHW-NSHDSACASA-N 305.338 -0.821 30 20 DBED C#CCO[C@H](C)C(=O)NCC[C@H]1CCN(CC(=O)NCC#N)C1 1753327821 JHMCLAVILBVEQM-KGLIPLIRSA-N 320.393 -0.507 30 20 DBED C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)NS(=O)(=O)CC 1753420522 AQEQYRLTPUXOBO-AVGNSLFASA-N 313.423 -0.377 30 20 DBED C#CCCNCC[C@H]1CCCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 1753557052 DXKSNIJLFSEDAU-OLZOCXBDSA-N 320.393 -0.174 30 20 DBED C=CCn1cc(C(=O)NC[C@@H](O)CNCc2nocc2C)nn1 1753931034 WVVORXAZJQYELT-NSHDSACASA-N 320.353 -0.359 30 20 DBED COCC#CCNC[C@@H](O)CNC(=O)Cc1cccc(OC)c1 1753936552 ZCXQLPIDPOXPCE-OAHLLOKOSA-N 320.389 -0.046 30 20 DBED N#CCNC(=O)CNC[C@@H]1CCCC[C@@H]1NC(=O)c1nc[nH]n1 1754352977 KKGMPXKKWPVRRO-QWRGUYRKSA-N 319.369 -0.677 30 20 DBED C=CCNC(=O)NC(=O)CNC[C@H](NC(=O)C(F)F)C1CC1 1754432496 LVQXABGFUUGIMR-VIFPVBQESA-N 318.324 -0.252 30 20 DBED C[C@@H]1C[C@H](NCC(=O)NCC#N)CCN1C(=O)Cc1ncc[nH]1 1754600856 INMJBPQHQSUHCL-VXGBXAGGSA-N 318.381 -0.439 30 20 DBED C#CCN(C(=O)CN1CCCNC1=O)C1CCN(CCO)CC1 1754638214 PVJKJBXXNHSYTR-UHFFFAOYSA-N 322.409 -0.680 30 20 DBED C=CCCCCCN1CC[C@](O)(CNC(=O)[C@H]2CNC(=O)N2)C1 1754754356 KVTNKEDCQROABO-CJNGLKHVSA-N 324.425 -0.033 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@H]1CCC2(CN(CC(N)=O)C2)O1 1755054476 OLDOOGKXRGMZLS-SMDDNHRTSA-N 311.382 -0.852 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1NCCNS(C)(=O)=O 1755109308 UMQLOBPMWJQAKT-YPMHNXCESA-N 313.423 -0.615 30 20 DBED C#CCNC(=O)CN[C@H]1CN(C(=O)CCN(C)CC)C[C@H]1C 1755118328 GGVVNWRXZFLJBZ-KGLIPLIRSA-N 308.426 -0.486 30 20 DBED N#CCN1CCN(CCCCCNC(=O)[C@H]2COCCO2)CC1 1755173256 NQMNJTJJBZXOFB-OAHLLOKOSA-N 324.425 -0.171 30 20 DBED C=CCNCC1CC(NC(=O)CN2C(=O)C(=O)N(C)C2=O)C1 1755218621 WQVMBFSFBSERCT-UHFFFAOYSA-N 308.338 -0.923 30 20 DBED C=CCNC(=O)CN(C)[C@H](C)CNC(=O)[C@@]1(CC)CCNC1=O 1755302460 BSNCXASBOGBHTP-WBMJQRKESA-N 324.425 -0.359 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2c[nH]nc2C)C(C)(C)C1 1755410684 XFPCIESYOHERHI-CYBMUJFWSA-N 317.393 -0.092 30 20 DBED CN(CC#N)CCOCCNC(=O)[C@@H]1CCCN(C(N)=O)C1 1755541625 GTWRQDZOQIQCSR-GFCCVEGCSA-N 311.386 -0.635 30 20 DBED CC#CCN(C)CCOCCNC(=O)c1cc(C(N)=O)c[nH]1 1755545055 JNYYJNOYWMESDL-UHFFFAOYSA-N 306.366 -0.185 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)COCC(F)F)[C@@H]1C 1755657329 BUJSTUQUEAJGTQ-GHMZBOCLSA-N 317.336 -0.404 30 20 DBED C#CCCN[C@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1(C)C 1755762255 ZEGCWWLNXQLARY-XQQFMLRXSA-N 307.394 -0.131 30 20 DBED C=CC(C)(C)C(=O)N(C)C[C@@H](O)CN[C@@H]1CCC(=O)NC1=O 1755784732 BITNCJKDVCCXII-WDEREUQCSA-N 311.382 -0.587 30 20 DBED Cc1cnc2c(C(=O)N(C)C[C@@H](O)CNCC#N)cnn2c1 1755789922 XUJMDBJUAQTXHK-NSHDSACASA-N 302.338 -0.416 30 20 DBED C#CCCCCC(=O)N[C@H](CO)CNC(=O)c1cnsn1 1756505572 IINCQKQATLOMGS-JTQLQIEISA-N 310.379 -0.061 30 20 DBED C=CCCCC(=O)NC[C@@H](CO)NC(=O)[C@H]1CCC(=O)N1C 1756546898 XRLOWGSLTLFUJO-NWDGAFQWSA-N 311.382 -0.443 30 20 DBED C=CCO[C@H](C)C(=O)N[C@H](CO)CNC(=O)c1[nH]c(C)nc1C 1756550320 SBLMFPHDTAUWOT-PWSUYJOCSA-N 324.381 -0.175 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)C[C@@H](O)CNC(=O)C(C)C 1756670022 UKWCFQDSJFBATI-KBPBESRZSA-N 309.410 -0.325 30 20 DBED C=CCOCC(=O)N(C)C[C@H](O)CN(C)C(=O)c1cocn1 1756683633 IUCQVGCTFHGBMK-NSHDSACASA-N 311.338 -0.232 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)Cc1nc(C)no1)CCO2 1783049891 ZPMYZFJFMZVCKL-OAHLLOKOSA-N 318.333 -0.616 30 20 DBED COCC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)S)C2)C1 1783890029 NSTVBDPKPKCCDK-GXFFZTMASA-N 302.396 -0.219 30 20 DBED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)c1nc[nH]n1)CCO2 1785422695 JWXOLZTYPVXQLF-HNNXBMFYSA-N 317.349 -0.338 30 20 DBED CC[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)S)C2 1792866277 OHJHMTJVIDOHCJ-HGCLJGPKSA-N 316.423 -0.335 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)n1ccnn1)C2 1800455773 QEZMVTTXMZXKEK-FMSGJZPZSA-N 317.349 -0.938 30 20 DBED C#CCN(CC(=O)O)C(=O)C1CCN(S(=O)(=O)CC)CC1 92478995 CDINAILAWYDRDQ-UHFFFAOYSA-N 316.379 -0.406 30 20 DBED C/N=C(/NCCN1C(=O)CNC1=O)N[C@@H]1C[C@@H](OC)C1(C)C 261704575 JNFQDVZITVXUTB-NXEZZACHSA-N 311.386 -0.483 30 20 DBED C/N=C(/NCCN1CCSCC1)N1CCO[C@@H](COC)C1 261770207 DOSJYBMXKOQPBR-CYBMUJFWSA-N 316.471 -0.042 30 20 DBED CCN(CC#N)C(=O)[C@H](C)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 266706347 ZDXLJBSODNCTNS-MTVMDMGHSA-N 305.334 -0.091 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCC[C@@H]2CCO)C1=O 275135250 MZAYYZLGBUXVBF-GHMZBOCLSA-N 323.349 -0.370 30 20 DBED COC[C@@](C)(C#N)NC(=O)c1cc(N2CCNC(=O)C2)ccn1 276560944 RTMAWFOOQMLQNN-OAHLLOKOSA-N 317.349 -0.324 30 20 DBED CS(=O)(=O)NCCCNS(=O)(=O)c1ccc(C#N)o1 286574365 JHWDXYWFEJILBM-UHFFFAOYSA-N 307.353 -0.631 30 20 DBED Cc1noc(C)c1S(=O)(=O)NCC(=O)N[C@H](C)CC#N 290137187 KIQHOLPDQGRMLX-SSDOTTSWSA-N 300.340 -0.012 30 20 DBED C#CCOc1cc(F)ccc1NC(=O)NC(CO)(CO)CO 294244303 PASJPYJPBDTKGX-UHFFFAOYSA-N 312.297 -0.325 30 20 DBED CC[C@H](C)[C@@H](NC(=O)Cn1c(N)nc(C#N)c1C#N)C(=O)OC 298196926 AKUAROQSJUZOHT-QPUJVOFHSA-N 318.337 -0.087 30 20 DBED CCN1CCC[C@@H]1CN/C(N)=N/CCN1CCCS1(=O)=O 303982561 QHWLARASENSGNA-GFCCVEGCSA-N 317.459 -0.590 30 20 DBED CC(C)OCCS(=O)(=O)NCC(=O)N1CCO[C@@H](C#N)C1 331068303 ZQJFPULEJRBWFO-NSHDSACASA-N 319.383 -0.918 30 20 DBED CCOC(=O)CC1(S(=O)(=O)N2CCN(CC#N)CC2)CC1 331395604 MPTDGPXKFNPCNZ-UHFFFAOYSA-N 315.395 -0.057 30 20 DBED Cn1c(N2CCC[C@H]([C@H]3CCNC3)C2)c(C#N)c(=O)n(C)c1=O 333840900 LDBZYPIBBQLXCO-RYUDHWBXSA-N 317.393 -0.218 30 20 DBED CCC[C@@H]1C(=O)NCCN1S(=O)(=O)N1CCO[C@H](C#N)C1 336953113 WIIKWIQQTNNPRL-GHMZBOCLSA-N 316.383 -0.944 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CC[C@@H](S(C)(=O)=O)C1 336999261 QTKPQIZWURYLLF-SNVBAGLBSA-N 309.413 -0.414 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)NC[C@H](O)C1CCOCC1 337090846 KIYOYMJEMYATDN-JQWIXIFHSA-N 305.400 -0.300 30 20 DBED N#Cc1ccc2c(c1)N(C(=O)C(=O)N[C@@H]1CCC(=O)NC1)CC2 339814416 LIOMTVJPODBKCO-GFCCVEGCSA-N 312.329 -0.158 30 20 DBED C[C@@H](NC(=O)CNc1ccc(C#N)cn1)C(=O)N1CCOCC1 345425749 ITZIABNWMALQLZ-LLVKDONJSA-N 317.349 -0.271 30 20 DBED CCNS(=O)(=O)[C@H]1CCN(CC(=O)NC2(C#N)CCC2)C1 347016533 WVVROHSYTFYSFH-NSHDSACASA-N 314.411 -0.438 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@H]([C@H](C)N)C2)C1=O 351756627 QNPWLORLHHTDFO-VHSXEESVSA-N 308.338 -0.841 30 20 DBED C=C(C)COCCNC(=O)CCn1cc(S(N)(=O)=O)cn1 355676842 GLZZNIFAHBHLDO-UHFFFAOYSA-N 316.383 -0.371 30 20 DBED N#Cc1ccc(C(=O)CNC(=O)CN2CCCS2(=O)=O)cc1 356183249 CPISOXBIWLXDQY-UHFFFAOYSA-N 321.358 -0.107 30 20 DBED COc1ccc(C#N)cc1NC(=O)C(=O)N1C[C@H](O)C[C@H]1CO 442276742 AKIKWUXQVWOAPZ-WDEREUQCSA-N 319.317 -0.541 30 20 DBED C#CCNC(=O)C1CCN(CC(=O)N[C@H](C)C(=O)N(C)C)CC1 491069820 YSMMSOYAASSGCH-GFCCVEGCSA-N 322.409 -0.959 30 20 DBED COC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1ncc(C#N)cc1C 558998135 PUSUNTXQVOZVNP-LLVKDONJSA-N 316.317 -0.235 30 20 DBED Cn1nnc(CNC[C@@H](O)COc2ccc(CC#N)cc2)n1 564864766 QXEZBYUDIVYQKE-GFCCVEGCSA-N 302.338 -0.194 30 20 DBED N#C[C@H]1CN(S(=O)(=O)N2CC[C@H](CCCO)C2)CCO1 571537397 IDSCOBIFSUYLDX-RYUDHWBXSA-N 303.384 -0.450 30 20 DBED COC(=O)[C@H]1C[C@@H](O)CN(C(=O)Cc2noc(C)c2C#N)C1 592935743 IRMQAVIKMIGCQC-VHSXEESVSA-N 307.306 -0.220 30 20 DBED C[C@H]1CCCN(c2c(C#N)c(=O)n(C)c(=O)n2C)[C@@H]1CCO 596440763 GMKBQEMECVRHLN-CMPLNLGQSA-N 306.366 -0.057 30 20 DBED CC(C)CC[C@H](CO)NS(=O)(=O)N1CCO[C@@H](C#N)C1 599410394 JUIZEPKNURNBHL-NEPJUHHUSA-N 305.400 -0.158 30 20 DBED CC#CC[C@H](CO)NC(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O 645301168 UQZFRRXRTORCSD-DGCLKSJQSA-N 319.365 -0.401 30 20 DBED CC#CC[C@H](CO)NC(=O)NC[C@H]1CCCN1S(C)(=O)=O 645386278 GRHLFLNVSSWUCF-VXGBXAGGSA-N 317.411 -0.516 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN(CC(=O)N(C)C)CC1 665424668 RUNAXNHAPRIUIC-AWEZNQCLSA-N 324.425 -0.310 30 20 DBED COCC#CCN1CCC(N2CCS(=O)(=O)CC2)CC1 680987078 WOKRVKFWTNJMMC-UHFFFAOYSA-N 300.424 -0.169 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)[C@H](NC(=O)O)C(C)C 736105790 KXOXGQHULVKUDK-SECBINFHSA-N 301.299 -0.166 30 20 DBED C#CCSCCNC(=O)NCCCN(C)S(C)(=O)=O 740032949 JHLFTGCHCDRPOK-UHFFFAOYSA-N 307.441 -0.067 30 20 DBED CNC(=O)[C@@H](O)CNS(=O)(=O)Cc1cc(C#N)ccc1F 757725352 JKNXUQCGRMFBIM-NSHDSACASA-N 315.326 -0.776 30 20 DBED C#CCNC(=S)NCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 758245987 IRKSUOGBSVXGAF-NNYUYHANSA-N 303.387 -0.109 30 20 DBED CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)OCC(=O)NC(N)=O 780175839 DNJUUVKGQNQYRB-CYBMUJFWSA-N 313.310 -0.014 30 20 DBED C#CCCCS(=O)(=O)N1CCN(CC(=O)NC2CC2)CC1 791417442 OIDRBBVYPGEVSD-UHFFFAOYSA-N 313.423 -0.374 30 20 DBED CNC(=O)[C@@H](O)CNS(=O)(=O)c1ccc(C#N)c(F)c1 813698676 XWHHUCHHFIOYLE-JTQLQIEISA-N 301.299 -0.917 30 20 DBED C#C[C@@H](NC(=O)C(=O)NCCC(C)(C)C(=O)O)[C@@H]1CCCO1 818658162 RTQBTPOKBKRJCG-MNOVXSKESA-N 310.350 -0.100 30 20 DBED C#C[C@H](NC(=O)C(F)(F)C(=O)N1CCOCC1)[C@@H]1CCCO1 836209309 YAVPJTXLASYZLQ-QWRGUYRKSA-N 316.304 -0.223 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CC[C@H](C)[C@H](CN)C1)[C@H]1CCCO1 842164316 USRGABDZLRWROM-RFQIPJPRSA-N 307.394 -0.273 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)Nc1cc(OC)ncn1 862192231 LILZAIMSWFNSSP-SNVBAGLBSA-N 306.322 -0.032 30 20 DBED C=CCN1CC[C@@H](N(C)CC(=O)N=[S@@](C)(=O)N(C)C)C1=O 878549164 BSGPDEAFYGKEAY-WSVYEEACSA-N 316.427 -0.194 30 20 DBED C#CC[C@H](CO)NS(=O)(=O)Cc1ccc(C(=O)NC)cc1 882341018 ZTMUPYORKDBHHL-CYBMUJFWSA-N 310.375 -0.150 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N1C[C@H]2CC[C@@H](O)[C@H]2C1 888785031 NBVJBZQVSFSLEP-GRYCIOLGSA-N 302.396 -0.001 30 20 DBED C#CC1(O)CN(C(=O)[C@@H]2CS(=O)(=O)C[C@H]2C(F)(F)F)C1 890527425 SGIREMILPKBSFP-HTQZYQBOSA-N 311.281 -0.584 30 20 DBED N#C[C@H]1CCCN(C(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)C1 928221103 NGXCNQJAXXFRSD-XMKDAVRRSA-N 317.345 -0.089 30 20 DBED CN1CCO[C@@H](C(=O)N[C@@H]2CCN(C(=O)C#CC3CC3)C2)C1 939863631 HNBXTKRYTPOGGV-ZIAGYGMSSA-N 305.378 -0.553 30 20 DBED C#CCCN1CC[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)[C@@H](C)C1 944531889 KKTWMAXTALYVGI-GXTWGEPZSA-N 319.409 -0.260 30 20 DBED C#CCN1CCOC2(CCN(C(=O)Cn3cnnc3O)CC2)C1 949343434 BTGLSVPEIBYMLH-UHFFFAOYSA-N 319.365 -0.690 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2ccnn2CC(F)F)C1 958069671 OYNFVRXOZLSNJE-CMPLNLGQSA-N 312.320 -0.196 30 20 DBED CC#CCN1C[C@@H](O)[C@H](CNC(=O)c2cc(OCC)n[nH]2)C1 958167381 KYKRJTVJRKVKQV-DGCLKSJQSA-N 306.366 -0.146 30 20 DBED CC#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cccc3ncnn23)C1 958228756 SXQRRQCQYLOUCT-GXTWGEPZSA-N 313.361 -0.225 30 20 DBED N#CCN1C[C@H](CNC(=O)c2cc3ncccn3n2)[C@@H](O)C1 958507800 WZNDNJJDWMTXCW-JQWIXIFHSA-N 300.322 -0.725 30 20 DBED C=C(Cl)CN1C[C@H]2[C@H](NC(=O)Cn3ccc(O)nc3=O)[C@H]2C1 960868756 XQVRBBSELFONLH-IWIIMEHWSA-N 324.768 -0.252 30 20 DBED Cc1c[nH]nc1C(=O)N1CC2(C1)CN(C(=O)[C@@H](C)C#N)CCO2 965474938 SQBYLBAWTDQIFN-JTQLQIEISA-N 317.349 -0.069 30 20 DBED N#CCNC1CC2(C1)CC(NC(=O)CN1C(=O)CNC1=O)C2 965902963 ADJLYNCMGTYPNV-UHFFFAOYSA-N 305.338 -0.921 30 20 DBED C[C@@H]1CCN(CC#N)C[C@H]1NC(=O)CN1CC(=O)N(C)C1=O 968541077 YBJHGSYZTKJECQ-GHMZBOCLSA-N 307.354 -0.769 30 20 DBED C[C@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)c1c[nH]c(=O)cn1)C2 969805127 JWSHBYAPNZTJRE-VWYCJHECSA-N 315.333 -0.255 30 20 DBED CN1C(=O)CC[C@H]1C(=O)N1CC[C@]2(CN(CC#N)CCO2)C1 972502011 KDZCVBRZMUQAKN-WFASDCNBSA-N 306.366 -0.566 30 20 DBED CC#CCN1CCO[C@@]2(CCN(C(=O)CCn3cnnn3)C2)C1 972611645 JUFVTIQIQXPTLF-HNNXBMFYSA-N 318.381 -0.610 30 20 DBED O=C(N[C@H]1CCN(C(=O)C#CC2CC2)C[C@H]1O)c1cncnc1 991406357 IFEBIXRYIAYFIT-UONOGXRCSA-N 314.345 -0.418 30 20 DBED O=C(N[C@H]1CCN(C(=O)C#CC2CC2)C[C@H]1O)c1ncc[nH]1 991458373 QINQKVWOTIFJLE-NWDGAFQWSA-N 302.334 -0.485 30 20 DBED N#CCN[C@@H]1CCC[C@@H]2CN(C(=O)CN3C(=O)CCC3=O)C[C@@H]21 992916290 NKINRBAOFMEQCU-FRRDWIJNSA-N 318.377 -0.124 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)[C@H]2CCCN(C(N)=O)C2)C1 995436807 FOPUPZQTNWZZBC-UWVGGRQHSA-N 307.354 -0.736 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2C(CNC(=O)c3cnnn3C)[C@H]2C1 1009002277 MSCCJMOFAZSTMV-FBIMIBRVSA-N 302.338 -0.591 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)CC(N)=O)[C@@H]2C)nc1 1011584600 CLULROUGSQDGDS-ZYHUDNBSSA-N 314.345 -0.343 30 20 DBED C#CCN1[C@H]2CC[C@H]1CC(NC(=O)CN1CCN(C)C(=O)C1)C2 1021302524 MBUMOJXCJDERKN-GJZGRUSLSA-N 318.421 -0.495 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CN(C(=O)c3ncc[nH]3)C[C@H]2O)c1 1023327438 NZGYYMXOCIBONQ-GHMZBOCLSA-N 314.305 -0.775 30 20 DBED CS[C@@H](C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 1023428489 BVJRCMQGEOYPIL-XXILOJSOSA-N 322.390 -0.061 30 20 DBED C=CCNC1CCC(NC(=O)[C@H]2CCS(=O)(=O)N2)CC1 1026607891 ZADMBPYSKXLARZ-HTAVTVPLSA-N 301.412 -0.119 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](CN(C)Cc2nc(=O)n(C)[nH]2)C1 1029678989 VCMKIZVJZJZPQD-QWRGUYRKSA-N 306.370 -0.452 30 20 DBED N#Cc1ccc(C(=O)NC2CN(Cc3nnnn3C3CC3)C2)[nH]1 1030222330 BDQVFFNGJRBWMV-UHFFFAOYSA-N 312.337 -0.178 30 20 DBED CC#CCN1CC(NC(=O)c2cccc(OCC(N)=O)c2)C1 1030396361 GPTMRAKVTCRUAH-UHFFFAOYSA-N 301.346 -0.012 30 20 DBED CC#CCN1CC(NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 1030717869 DFLZCGHDGCPAQB-CVEARBPZSA-N 321.421 -0.310 30 20 DBED CC#CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCc2nnc(O)n2C1 1032484270 GWPKLHONLQAMAQ-AVGNSLFASA-N 315.377 -0.146 30 20 DBED C#CCN1CC[C@H](N(C)C(=O)CN2C(=O)NC(C)(C)C2=O)C1 1033637104 JVFPBHVJMNPXRV-NSHDSACASA-N 306.366 -0.517 30 20 DBED Cc1nn(CC(=O)N2CC[C@@H](NCC#N)[C@H](C)C2)c(=O)n1C 1036275727 KIQHTEHOXVXDBG-ZYHUDNBSSA-N 306.370 -0.760 30 20 DBED Cc1nccc(C(=O)N2CC[C@@](O)(CNC(=O)[C@H](C)C#N)C2)n1 1040766688 RUFIHIQPIRZVOA-MEBBXXQBSA-N 317.349 -0.362 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CN(c3nccnc3F)C[C@H]2O)[nH]1 1040965628 UGASUBCVSAFNIA-GHMZBOCLSA-N 316.296 -0.205 30 20 DBED N#Cc1cncc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC3(F)F)C2)n1 1041012815 WUOFMRCFLGTVBX-IVZWLZJFSA-N 309.276 -0.331 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@@H]2CCCO2)C1 1041356154 ONKNGZVHUMGRNS-AGIUHOORSA-N 324.377 -0.554 30 20 DBED Cc1cc(C(=O)N2CC(O)(CNC(=O)CSCC#N)C2)on1 1041568835 QARLOJHVTAJJFM-UHFFFAOYSA-N 324.362 -0.457 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2coc(C)n2)C1 1042747829 LQRJMHKGHSHACQ-JTQLQIEISA-N 323.349 -0.123 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)C[C@H]2CCCOC2)C1 1043144850 TZDSAXUCEFNVFR-NWDGAFQWSA-N 309.366 -0.348 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)[C@@H](C)OCC=C)C1 1043574590 GMDIUTZFDGELBS-CHWSQXEVSA-N 324.377 -0.695 30 20 DBED N#Cc1cnc(N2C[C@H](O)[C@H](NC(=O)[C@@H]3CCCO3)C2)cn1 1043848234 ODEZXXSLCLHVKN-WOPDTQHZSA-N 303.322 -0.807 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)c2coc(C(N)=O)c2)C1 1043961028 KCOPEJURBDPKKG-UHFFFAOYSA-N 321.333 -0.352 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@H]2C[C@@H]2C)C1 1044895427 CHNYERRHWJFVJH-RNJOBUHISA-N 308.378 -0.077 30 20 DBED Cc1nnsc1C(=O)N1CC(O)(CNC(=O)[C@@H](C)C#N)C1 1045540046 CQSOVJOYWJIBQT-ZETCQYMHSA-N 309.351 -0.691 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)[C@@H](C)Cc2cnc[nH]2)C1 1045554804 JWQQXSQRKFJJBI-QWRGUYRKSA-N 319.365 -0.563 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3cnc(C)n3C2)C1 1047502709 PQHOWRBHUBWKSK-KBMXLJTQSA-N 316.405 -0.109 30 20 DBED N#CCN1C[C@H]2CN(C(=O)CCc3nnc(O)nc3O)C[C@H]2C1 1048917175 RWXHHLBGYRGYKY-AOOOYVTPSA-N 318.337 -0.871 30 20 DBED C=C(C)CN1C[C@H]2CN(C(=O)Cn3ccc(O)nc3=O)C[C@H]2C1 1048923630 WTMMEHZSHYGOBC-BETUJISGSA-N 318.377 -0.085 30 20 DBED CN(C(=O)c1cnon1)[C@H]1CN(C(=O)C#CC(C)(C)C)C[C@@H]1O 1049288409 GFMUNJQGVQHDNF-RYUDHWBXSA-N 320.349 -0.237 30 20 DBED C=C1CC(C)(C(=O)N(C)[C@H]2CN(C(=O)CNC(C)=O)C[C@@H]2O)C1 1049494229 CWAPNISXLBCWGH-STQMWFEESA-N 323.393 -0.491 30 20 DBED C#CCCN1CCOC[C@@H]1CNC(=O)c1ccn2nnnc2c1 1051062607 YARFBCIWKXYLFA-ZDUSSCGKSA-N 314.349 -0.422 30 20 DBED N#Cc1ccc(CNC[C@@H]2CN(C(=O)C(N)=O)CCO2)s1 1051794749 RGQCXIWFSINVQD-SECBINFHSA-N 308.363 -0.578 30 20 DBED C=CCN1CCN([C@@H]2CCN(C(=O)CS(C)(=O)=O)C2)CC1 1051990986 ZCZMQYUCHDRUOH-CYBMUJFWSA-N 315.439 -0.565 30 20 DBED C=CCN1CCN([C@H]2CCN(C(=O)[C@H]3CCNC(=O)C3)C2)CC1 1052011399 SEPPJQMGECNKKJ-GJZGRUSLSA-N 320.437 -0.083 30 20 DBED CC#CCN1CCN([C@@H]2CCN(C(=O)c3nnn(C)n3)C2)CC1 1052067259 HITPHFQQCPZELL-CYBMUJFWSA-N 317.397 -0.935 30 20 DBED C=CCCN1CC2(C1)CN(C(=O)c1ccc(=O)n(C)n1)CCO2 1053526042 TYXOQRYIIVWBMI-UHFFFAOYSA-N 318.377 -0.117 30 20 DBED C=CCN1CC2(C1)CN(C(=O)[C@H]1COCCN1C(C)=O)CCO2 1053537290 ZOSSEPTYSHXUDF-CQSZACIVSA-N 323.393 -0.667 30 20 DBED C#CCN1CC2(CC[C@@H](CNC(=O)[C@@H]3CN(C)CCO3)O2)C1 1053586930 ZRMPZWFLLXWMCP-KBPBESRZSA-N 307.394 -0.700 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)[C@H]3CC(=O)N(CC)C3)CO2)C1 1053820778 LSQMENDERQQERN-UONOGXRCSA-N 319.405 -0.162 30 20 DBED CN1CCCC[C@H](C(=O)N[C@H]2COC3(C2)CN(CC#N)C3)C1=O 1053980671 BLDNWTCEMPKVJA-CHWSQXEVSA-N 320.393 -0.272 30 20 DBED C#CCCCC(=O)N1CCC[C@@](CO)(NC(=O)CC(=O)NC)C1 1055901339 FCEGMCZIEYPGAW-MRXNPFEDSA-N 323.393 -0.604 30 20 DBED CN1CC[C@H](C(=O)N2CCN(c3ccc(C#N)nn3)CC2)C1=O 1055973412 HWCGDYDNHKAVKG-LBPRGKRZSA-N 314.349 -0.525 30 20 DBED CN1C(=O)CC[C@@H]1C(=O)N1CCN(c2ccc(C#N)nn2)CC1 1055988165 RUYXOPUWJDDHCI-GFCCVEGCSA-N 314.349 -0.382 30 20 DBED N#Cc1cnc(N2C[C@@H]3C(NC(=O)c4ccc(O)nn4)[C@H]3C2)cn1 1056113527 GLQDCTJQNGNLQJ-UWVGGRQHSA-N 323.316 -0.292 30 20 DBED N#Cc1nccc(N2C[C@H]3C(NC(=O)[C@@H]4COC(=O)N4)[C@@H]3C2)n1 1056194356 LSKPYJKQOLGLJP-HLTSFMKQSA-N 314.305 -0.993 30 20 DBED Cn1ccc(C(=O)N[C@H]2[C@@H]3CN(c4cncc(C#N)n4)C[C@@H]32)n1 1056226148 SCNIKKXJQNJJOW-YABSGUDNSA-N 309.333 -0.054 30 20 DBED N#Cc1cnc(N2C[C@H]3[C@H](NC(=O)[C@@H]4[C@H]5COC[C@H]54)[C@H]3C2)cn1 1056365302 KNVJYQAYUGZLSW-GQHARHJQSA-N 311.345 -0.209 30 20 DBED C=CCCO[C@H](C)C(=O)NCCN(CCO)C(=O)c1cc[nH]n1 1057044748 HHQFNTLVMPQDQU-GFCCVEGCSA-N 324.381 -0.058 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)Cc1cc(C)[nH]n1 1057193885 SIXLEYXGAZUQQW-UHFFFAOYSA-N 324.381 -0.600 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)C(C)(C)COC 1057199111 KITJPFRSTIBYSD-UHFFFAOYSA-N 316.398 -0.201 30 20 DBED N#Cc1nc(=NC2CCN(C(=O)[C@@H]3COCCO3)CC2)cc[nH]1 1057278084 UMHSNGPJEQCKMZ-LBPRGKRZSA-N 317.349 -0.412 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCN(CCO)C(=O)c1n[nH]cc1C 1057529487 UZCOBIAKGGMZPK-OAHLLOKOSA-N 324.381 -0.404 30 20 DBED C#CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)[C@H]1CC12CC2 1057584545 NMOKMTCHAGWSSW-QWHCGFSZSA-N 308.378 -0.238 30 20 DBED C=CCO[C@H](C)C(=O)N(CCO)CCNC(=O)[C@H](C)OC 1057922225 ZQOZEVFMBHYCNK-NWDGAFQWSA-N 302.371 -0.451 30 20 DBED Cc1nc[nH]c1CC(=O)N(CCO)CCNC(=O)C#CC(C)C 1058263508 NMICQNZPZCTXNG-UHFFFAOYSA-N 320.393 -0.143 30 20 DBED C=C(C)C[C@H](C)C(=O)NCCN(CCO)C(=O)c1nc[nH]n1 1058388778 ONHIDYSOWVRLMK-NSHDSACASA-N 309.370 -0.042 30 20 DBED CCO[C@@H](C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N)C1CC1 1058656896 MRWRQHYAFXYBKH-WCQYABFASA-N 311.382 -0.102 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)Cc1ccc(O)nc1 1058660609 DNEIGKTUCIKJPL-NSHDSACASA-N 320.349 -0.574 30 20 DBED COc1ccc(C(=O)NCCN(CCO)C(=O)[C@H](C)C#N)cn1 1058661502 YCXKSWZNTDDTLT-LLVKDONJSA-N 320.349 -0.199 30 20 DBED C#CCNC(=O)CC(=O)NCCN(CCO)C(=O)C(C)(C)C 1058788728 HZWZAYCIGVXODV-UHFFFAOYSA-N 311.382 -0.891 30 20 DBED CS(=O)(=O)CC(=O)N1CC[C@H](Nc2cncc(C#N)n2)C1 1058847564 JPKOMIHNJAWIFV-VIFPVBQESA-N 309.351 -0.594 30 20 DBED C[C@H](C#N)C(=O)NCC[C@H]1CCN(C(=O)CCn2cnnn2)C1 1060228345 LAZARMNHEOZFIJ-NEPJUHHUSA-N 319.369 -0.422 30 20 DBED C#Cc1ccc(C(=O)NCC[C@@H]2CCN(C(=O)C(N)=O)C2)nc1 1060271609 REAHCXIWCLBPNF-GFCCVEGCSA-N 314.345 -0.483 30 20 DBED C=CCOCC(=O)NC[C@@H]1COCCN1C(=O)c1cc[nH]n1 1061421862 WEMADXTWUWYZES-LLVKDONJSA-N 308.338 -0.431 30 20 DBED C=CCCC(=O)N1CCOC[C@H]1CNC(=O)[C@H]1CCCNC1=O 1061659401 WIFVEDDNDMEATG-OLZOCXBDSA-N 323.393 -0.178 30 20 DBED Cc1ncc(C(=O)N2CCOC[C@H]2CNC(=O)[C@@H](C)C#N)n1C 1061851337 NCIJBNPMOVXZMX-CMPLNLGQSA-N 319.365 -0.155 30 20 DBED N#Cc1nccc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)Cc2nc[nH]n2)n1 1064294299 MYZYLAKXKVQFRQ-TVLCNXBWSA-N 310.321 -0.598 30 20 DBED N#Cc1cnc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)C(N)=O)c(Cl)c1 1064336347 GQMIKQXNWIEALD-FKTZTGRPSA-N 305.725 -0.215 30 20 DBED C#CCCCC(=O)N1CCO[C@H](CNC(=O)c2nc[nH]n2)C1 1065095679 MUEIMPBFDOHGKY-LLVKDONJSA-N 305.338 -0.435 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@H]1CN(C(=O)c2cnon2)CCO1 1065507657 QDSZBXJTYTYTRB-YGRLFVJLSA-N 324.337 -0.646 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)Cn2cncn2)CCO1 1065639350 VYZZLVRDXKXMOL-CYBMUJFWSA-N 319.365 -0.575 30 20 DBED N#Cc1nccc(N2CC[C@@H]3[C@H]2CCCN3C(=O)C(N)=O)n1 1066183127 LOSYNEUAHSEMQN-NXEZZACHSA-N 300.322 -0.597 30 20 DBED N#Cc1cnccc1N1C[C@@H](O)[C@@H](CNC(=O)c2ccnnc2)C1 1067693351 LLVHOCBYDGYVOQ-DZGCQCFKSA-N 324.344 -0.030 30 20 DBED C=CCOCC(=O)N1CCOC2(C1)CN(C(=O)[C@H](C)OC)C2 1068354736 AWJANCBZYZOHSN-LBPRGKRZSA-N 312.366 -0.336 30 20 DBED C[C@@H]1[C@@H](Nc2cncc(C#N)n2)CCN1C(=O)CS(C)(=O)=O 1068774237 KPTNAOGLFHBHOG-KOLCDFICSA-N 323.378 -0.206 30 20 DBED C=C(C)CCC(=O)N[C@H]1COC2(C1)CN(C(=O)CC(=O)NC)C2 1068890297 RMLHRKNNCRQWCF-GFCCVEGCSA-N 323.393 -0.035 30 20 DBED C[C@@H]1C[C@H](N=c2cc[nH]c(C#N)n2)CN1C(=O)Cn1cncn1 1069099794 UEZQNDWZNUOPOC-MNOVXSKESA-N 312.337 -0.537 30 20 DBED N#Cc1nc(=N[C@@H]2CCC[C@H]3CN(C(=O)C(N)=O)C[C@@H]32)cc[nH]1 1069319093 PMUSRWKNYFAJHL-GARJFASQSA-N 314.349 -0.706 30 20 DBED C=CCN1CCn2ncc(CNC(=O)c3ncn(C)n3)c2C1 1069859989 YCYMOYRAIIUCEE-UHFFFAOYSA-N 301.354 -0.057 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)[C@@H]2CCC(=O)N2)CCOCC1 1070182356 HFQSGUWRURTQDH-MNOVXSKESA-N 322.365 -0.794 30 20 DBED Cn1cnc([C@@H]2CN(C(=O)Cn3ccnc3)C[C@H]2NCC#N)c1 1070570305 HFANVHWQTQFNOL-GXTWGEPZSA-N 313.365 -0.276 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CCCN(C(=O)Cn2ncnn2)C1 1070775829 UPOMBWHWOLIRKM-BXUZGUMPSA-N 322.369 -0.893 30 20 DBED CN1CCO[C@@H](C(=O)N2C[C@@H]3C[C@@H]4CN(CC#N)C[C@]3(C2)O4)C1 1070780462 VMUWXGZYHPZDSL-DSJMHWKBSA-N 320.393 -0.858 30 20 DBED CC#CCCCC(=O)N1CCC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1 1071122907 FZGHJWDULWEUFK-OLZOCXBDSA-N 320.393 -0.031 30 20 DBED C=CCOCC(=O)N1C[C@@H](NC(=O)CN2CCCC2=O)[C@H](C)C1 1071809255 RUYZGNJSSRPZRU-CHWSQXEVSA-N 323.393 -0.226 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC(C)(NC(=O)CNC(C)=O)CC1 1073024402 WAEZZTYOMWUFKS-LBPRGKRZSA-N 323.393 -0.342 30 20 DBED C=CCN1CCCO[C@H](CNC(=O)c2cn(C)c(=O)nc2O)C1 1073883484 PAJJIVCXYRRLOH-LLVKDONJSA-N 322.365 -0.507 30 20 DBED C=CCCCC(=O)N1CCC(O)(CNC(=O)CC(N)=O)CC1 1074697897 BMXWGJNZXDMDJX-UHFFFAOYSA-N 311.382 -0.312 30 20 DBED C=CCN1CC[C@@H](N[C@H]2CCN(C(=O)c3nc[nH]n3)[C@H]2C)C1=O 1074976387 NYZMVOBKXHZLPC-SDDRHHMPSA-N 318.381 -0.216 30 20 DBED C#CCOCCC(=O)NCC[C@H](C)NC(=O)C(=O)NCC1CC1 1076504999 CJQOALPBJSYSAC-LBPRGKRZSA-N 323.393 -0.437 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2ccc3oc(O)nc3c2)C1 1077176499 YAUMDVKAWFHZGH-VXGBXAGGSA-N 301.302 -0.059 30 20 DBED C=CCOCC(=O)N[C@@H](C)CCNC(=O)C1(C(=O)NC)CC1 1077339153 UQXINMSHRRRCSZ-NSHDSACASA-N 311.382 -0.274 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)[C@H](CC)N(C)C 1077516095 DVWNJAQYDPOLJG-STQMWFEESA-N 324.425 -0.523 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)c2cnn3cc(C)cnc23)C1 1077763454 YKFHOMFQYKXYQV-ZIAGYGMSSA-N 313.361 -0.164 30 20 DBED C#CCCN1C[C@@H](NC(=O)c2cn(CCOC)nn2)[C@H](C)C1 1079686094 OUGBANCEFOFEPH-CHWSQXEVSA-N 305.382 -0.002 30 20 DBED C=CCCOCC(=O)N(CC)C1CN(C(=O)C2(C(N)=O)CC2)C1 1079978693 YMRYZOKTGMDURE-UHFFFAOYSA-N 323.393 -0.096 30 20 DBED C=CCCOCC(=O)N1C[C@H](CNC(=O)COC)[C@@H](O)C1 1081167807 ZOUXMCAYPUNOBG-RYUDHWBXSA-N 300.355 -0.839 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)C2=COCCO2)C[C@H]1O 1081332298 DFOQIUBHQBGQPU-NWDGAFQWSA-N 310.350 -0.224 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)C2(NC(N)=O)CC2)C[C@H]1O 1081336283 WKXHTUATNGAAEZ-GHMZBOCLSA-N 324.381 -0.911 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)CNC(=O)CC)C1 1081349272 NZQWFCCRPZZASM-VXGBXAGGSA-N 311.382 -0.586 30 20 DBED Cc1nc[nH]c1C(=O)N1C[C@H](CNC(=O)C#CC(C)C)[C@@H](O)C1 1081463238 KQOGEFBENNGYSN-STQMWFEESA-N 318.377 -0.073 30 20 DBED C=CCCC(=O)N1C[C@H](CNC(=O)Cc2ccn(C)n2)[C@@H](O)C1 1081477800 XVMFVQXMWRYTFD-JSGCOSHPSA-N 320.393 -0.136 30 20 DBED Cc1nn(CC(=O)N[C@@H]2CCCC[C@H]2NCC#N)c(=O)n1C 1085410633 FESIIXNKGCIGGU-VXGBXAGGSA-N 306.370 -0.569 30 20 DBED N#CCN1CC[C@H](NC(=O)c2ccc3nc[nH]c3n2)[C@H](O)C1 1090352709 NRVPYSVJJYDNBK-JOYOIKCWSA-N 300.322 -0.354 30 20 DBED CC(C)(C)OCC(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1O 1090407254 UPJOHRLRIICRRH-VXGBXAGGSA-N 319.365 -0.171 30 20 DBED N#Cc1cc(CN2CC[C@H](NC(=O)C(N)=O)[C@H](O)C2)ccc1F 1090530885 FZCNAUNCTRWLCK-QWHCGFSZSA-N 320.324 -0.766 30 20 DBED CCc1nc(C#N)cc(N2C[C@H](O)[C@H](NC(=O)[C@H](C)OC)C2)n1 1091067521 GHUQWTKIPWCPPG-WCQGTBRESA-N 319.365 -0.389 30 20 DBED CC[C@@H]1[C@@H](NC(=O)CNC(N)=O)CCN1c1cnc(C#N)cn1 1091754671 HXVNJHDQGFYASV-WDEREUQCSA-N 317.353 -0.510 30 20 DBED N#Cc1ccc(N2C[C@H]3[C@H](NC(=O)CCn4cnnn4)[C@H]3C2)cn1 1093294005 RBSLPIZBQPHDIM-NHAGDIPZSA-N 324.348 -0.419 30 20 DBED N#Cc1ccc(NCCNC(=O)c2cn3c(n2)COCC3)nn1 1094229254 GGRKZUYLDIBJPF-UHFFFAOYSA-N 313.321 -0.083 30 20 DBED C=CCN1CC(n2cc(CNC(=O)[C@@H]3CCC(=O)N3)nn2)C1 1094335795 NOYXGEMFRZCNAM-LBPRGKRZSA-N 304.354 -0.784 30 20 DBED C#CCCN1CC(N2C[C@H](NC(=O)C3CC(OC)C3)CC2=O)C1 1094747418 RWEQMSBEAJJOMP-JVWICGRDSA-N 319.405 -0.164 30 20 DBED Cc1nc(N[C@@H]2CCN(C(=O)CNC(N)=O)C2)ccc1C#N 1095014859 GCMITASOLSENEZ-LLVKDONJSA-N 302.338 -0.057 30 20 DBED CCC(=O)NCC(=O)N1CC[C@H](N(C)c2cncc(C#N)n2)C1 1095099794 NTOIXXAWFVRSKM-LBPRGKRZSA-N 316.365 -0.088 30 20 DBED N#Cc1ccc(N2CCC(CNC(=O)CNC(N)=O)CC2)nn1 1095338588 FVJWNYBXIDSATD-UHFFFAOYSA-N 317.353 -0.651 30 20 DBED C#CCNC(=O)CC(=O)NCCCN(C)c1nccc(C)n1 1095523200 AIVXQFISTOJWTQ-UHFFFAOYSA-N 303.366 -0.133 30 20 DBED CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCN(c2nccnc2C#N)C1 1096317707 YGZIBYKHXHKOHF-GXSJLCMTSA-N 302.338 -0.432 30 20 DBED N#Cc1cnccc1N1CC[C@H](NC(=O)CCn2cnnn2)C1 1096413524 BLHQIPUUDKPLEG-LBPRGKRZSA-N 312.337 -0.275 30 20 DBED CC(=O)NCC(=O)NC[C@@H]1CCCCN1c1cnc(C#N)cn1 1097386129 VRUVIXLWRABFJQ-ZDUSSCGKSA-N 316.365 -0.041 30 20 DBED C[C@@H](CNC(=O)CNC(=O)C1CC1)N=c1cc[nH]cc1C#N 1097687453 ZCLMXONCANROFS-JTQLQIEISA-N 301.350 -0.182 30 20 DBED CCS(=O)(=O)CC(=O)NC[C@H](C)Nc1cncc(C#N)n1 1097900691 VDSMFOITTRAUDC-VIFPVBQESA-N 311.367 -0.300 30 20 DBED CC[C@H](NC(C)=O)C(=O)NC[C@@H](C)N=c1cc[nH]c(C#N)n1 1098279373 UVLFOWYEKJTONZ-KOLCDFICSA-N 304.354 -0.399 30 20 DBED C[C@H](CNC(=O)c1cn(C)c(=O)cn1)Nc1cncc(C#N)n1 1098429213 JYSWOKBCLPZCHB-SECBINFHSA-N 313.321 -0.328 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H]1CCC(C)(C)CN1CCO 1099033958 QOIBGNBQSCQILC-CYBMUJFWSA-N 309.410 -0.275 30 20 DBED CC#CCN1C[C@@H]2[C@@H]3CC[C@@H](CN3C(=O)CNC(N)=O)[C@H]2C1 1099403219 WYYZORMHHRFENL-CRWXNKLISA-N 304.394 -0.153 30 20 DBED C=C(C)CCN1CC[C@H](NC(=O)CS(C)(=O)=O)[C@H](O)C1 1099718384 LVXFLXGPWSILNW-NWDGAFQWSA-N 304.412 -0.451 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)/C=C\C(C)(C)C)[C@H](O)C1 1099749157 GXWICNCTQHMFHQ-CUXBFQRZSA-N 321.421 -0.111 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CCN(CCC(C)C)C[C@@H]1O 1099789250 LYNMWIAWDICCSE-KBPBESRZSA-N 309.410 -0.277 30 20 DBED C#CCN1CC[C@@H](NC(=O)C(C)(C)NC(=O)NCCC)[C@H](O)C1 1100126838 NSQMGZQAKMTQLE-CHWSQXEVSA-N 324.425 -0.341 30 20 DBED COCC#CCNC1CC(CNC(=O)C[C@H]2CCNC2=O)C1 1100403504 OXFYHTXFNHBCBQ-ROKHWSDSSA-N 307.394 -0.353 30 20 DBED CCN(CCNC(=O)[C@@H]1CCC(=O)N1C)c1ccnc(C#N)n1 1100679335 RUPSYFYOWFCJGE-NSHDSACASA-N 316.365 -0.088 30 20 DBED CC(=O)NCC(=O)NC[C@H]1CCCN1c1cnc(C#N)cn1 1100770640 VVAIPFBGIAARRO-GFCCVEGCSA-N 302.338 -0.431 30 20 DBED CC(=O)N[C@@H](C)C(=O)N[C@@H]1CC2(CN(CC#N)C2)n2ccnc21 1101603924 ISMZKYVFIFRCNP-CMPLNLGQSA-N 316.365 -0.497 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)CCNC(N)=O)c3nccn32)C1 1101652464 ILRXJSSDFDHTDT-SNVBAGLBSA-N 317.353 -0.963 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1CNC(=O)Cc1cc[nH]n1 1101836792 RWPHENSHRWMXFS-VXGBXAGGSA-N 318.381 -0.724 30 20 DBED COCC#CCN1C[C@@H](C)[C@H](CNC(=O)[C@H]2CN(C)CCO2)C1 1101844336 WKHQSFKPUBOZLQ-BZUAXINKSA-N 323.437 -0.349 30 20 DBED CC[C@@H](C(=O)NC[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C)N(C)C 1102376976 HMXKVKZCFUEXPL-MCIONIFRSA-N 323.441 -0.350 30 20 DBED CC[C@@H](CNC(=O)[C@@H]1CCC(=O)N1)Nc1nccnc1C#N 1103143582 DEJYKWOUDRODAO-UWVGGRQHSA-N 302.338 -0.066 30 20 DBED CC[C@H](CNC(=O)[C@]1(C)CNC(=O)C1)N=c1cc[nH]c(C#N)n1 1103244508 RBSQITUPEUCERA-BMIGLBTASA-N 316.365 -0.397 30 20 DBED CC#CCN1C[C@@H](C)[C@H](CCNC(=O)CN2CC(=O)NC2=O)C1 1103544406 OTKZCCWOUJIPIQ-CHWSQXEVSA-N 320.393 -0.364 30 20 DBED C[C@H](CNc1cnc(C#N)cn1)N(C)C(=O)[C@@H]1COCCN1C 1104526812 HSGZRLOBOYROBO-YPMHNXCESA-N 318.381 -0.062 30 20 DBED CC[C@@H](NCc1cn(C2CN(C(=O)[C@@H](C)C#N)C2)nn1)C(N)=O 1105190375 VHWPANRMQMWUJH-JOYOIKCWSA-N 319.369 -0.825 30 20 DBED Cc1cc(C#N)nc(N(C)CCN(C)C(=O)[C@@H]2COC(=O)N2)n1 1105393393 UJTZYTDSDIYVIF-NSHDSACASA-N 318.337 -0.340 30 20 DBED C#CCCCC(=O)N1CCC(OC2CN(CC(N)=O)C2)CC1 1105705522 HSTORZZGJMBXRI-UHFFFAOYSA-N 307.394 -0.033 30 20 DBED Cn1cnc(C(=O)NC[C@@H](O)CNc2ccc(C#N)cn2)c1 1105793321 ZXVNNINYXXZKNT-NSHDSACASA-N 300.322 -0.110 30 20 DBED C[C@@]1(C(=O)NC[C@@H](O)CN=c2cc[nH]c(C#N)n2)CCOC1 1105939709 YSEVTNVOBSCKOW-IINYFYTJSA-N 305.338 -0.914 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H](O)CNC(=O)CCc1cn[nH]c1 1106131666 HKPPFXSHDJFXCE-ZDUSSCGKSA-N 314.349 -0.380 30 20 DBED C[C@H](CNc1cnc(C#N)cn1)NC(=O)[C@@H]1CCCS1(=O)=O 1107772592 DPQVGXRGQWSPSK-KOLCDFICSA-N 323.378 -0.158 30 20 DBED C#CCNC(=O)CN1CCO[C@](C)(CNC(=O)[C@@H](C)C2CC2)C1 1107848122 NODYDCSQYMNDOS-SUMWQHHRSA-N 321.421 -0.011 30 20 DBED C#CCCN1CCO[C@@](C)(CNC(=O)CCn2ccnn2)C1 1107898116 XJPICEPVNDSWSI-HNNXBMFYSA-N 305.382 -0.101 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@]1(C)CN(CCCO)CCO1 1107903574 WGUXVJCWNDXHDR-HUUCEWRRSA-N 300.399 -0.097 30 20 DBED C[C@H](CNc1ccc(C#N)nn1)NC(=O)[C@@H]1CCS(=O)(=O)C1 1108000992 JUZPQHGMLYNAHM-NXEZZACHSA-N 323.378 -0.300 30 20 DBED C[C@H](CNc1nccnc1C#N)NC(=O)[C@H]1CC(=O)N(C)C1 1108178308 SKEPYXGNRVAJHD-ZJUUUORDSA-N 302.338 -0.257 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)COCC=C)C2 1108642164 RLCSFQIKUNKJRK-KKUMJFAQSA-N 319.405 -0.093 30 20 DBED C[C@H](CN(C)c1cnc(C#N)cn1)NC(=O)C[C@@H]1CCC(=O)N1 1109007387 QYQULHTZBIYSER-MNOVXSKESA-N 316.365 -0.042 30 20 DBED CC(=O)NCC(=O)N[C@@H](CNc1cnc(C#N)cn1)C1CC1 1109781113 LTEUECGFDIEJJQ-LBPRGKRZSA-N 302.338 -0.209 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1nnnn1C 1110500807 MTBMUIIAPCSLAZ-MCYUEQNJSA-N 320.397 -0.241 30 20 DBED N#Cc1cccnc1N1CC[C@](O)(CNC(=O)c2cnon2)C1 1111091380 PUZWYYVOOUQOOV-AWEZNQCLSA-N 314.305 -0.293 30 20 DBED CNC(=O)CC(=O)N1C[C@@H]2CN(c3nccnc3C#N)C[C@@H]2C1 1111292467 HGMJTUPHQGKGIP-PHIMTYICSA-N 314.349 -0.621 30 20 DBED N#Cc1nccnc1NC1(CNC(=O)[C@@H]2CNC(=O)N2)CCC1 1111890997 UFMKZVHPPISUCI-JTQLQIEISA-N 315.337 -0.520 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)c2cc[n+]([O-])cc2)CC1 1112601125 DQOPCDDBKFYRCM-CYBMUJFWSA-N 316.361 -0.784 30 20 DBED CCOCCC(=O)NC[C@H]1CN(c2ccnc(C#N)n2)C[C@H]1O 1112701650 JJXWJQLYGBIGPE-NWDGAFQWSA-N 319.365 -0.312 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)Cc2cc(C)[nH]n2)CC1 1112764019 MAHRKTCRAGMJJO-CYBMUJFWSA-N 317.393 -0.457 30 20 DBED C#CCO[C@H](C)C(=O)N1CCN([C@H]2CCN(CC=C)C2=O)CC1 1112846246 JKQCTYYWQSMIEU-CABCVRRESA-N 319.405 -0.044 30 20 DBED C[C@@H](CNC(=O)CCNC(N)=O)N(C)c1ccc(C#N)nn1 1113609161 CZNGDCAQUGHXJK-VIFPVBQESA-N 305.342 -0.652 30 20 DBED CS(=O)(=O)CCN1C[C@@H]2C(NC(=O)CSCC#N)[C@H]2C1 1113891918 ZSBVCRDJOOUJPY-UWVGGRQHSA-N 317.436 -0.666 30 20 DBED C#CCC1(C(=O)NC2[C@@H]3CN(Cc4nnnn4C)C[C@@H]23)CCC1 1114394681 GULNDSBNJMPJNQ-VXGBXAGGSA-N 314.393 -0.050 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)[C@@H]3[C@H]4COC[C@H]43)[C@@H]2C1 1114711548 WUYVSWKUAVHDNG-SSKLVLDBSA-N 305.378 -0.773 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@@H](OC)C(C)C)[C@H]2C1 1114782004 ZYTWSAPZIPTYQH-MXYBEHONSA-N 307.394 -0.547 30 20 DBED COc1ccc(CNC(=O)C(=O)N2CCO[C@@H](C#N)C2)nc1 1117362828 FSUWNNCKBUHWMC-LBPRGKRZSA-N 304.306 -0.543 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CC(OCCOCC)C1 1117582893 WBLPXYBTMCFYAY-LLVKDONJSA-N 300.355 -0.433 30 20 DBED Cc1noc([C@H](C)NC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)n1 1118152976 RFAMRMOFGXSOSE-SDBXPKJASA-N 307.310 -0.568 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N1CCC(CO)(OC)CC1 1118321755 TVBZLXXFMPOCEE-NSHDSACASA-N 300.355 -0.697 30 20 DBED COC(=O)NCC(=O)NC[C@@H](CO)Nc1cccc(F)c1C#N 1121112785 FKSARUBAEYJSGR-VIFPVBQESA-N 324.312 -0.058 30 20 DBED N#Cc1nc(=N[C@H](CO)CNC(=O)C2=COCCC2)cc[nH]1 1121198930 SSYVLALRDWAPQN-NSHDSACASA-N 303.322 -0.647 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H](CO)N=c1cc(C)[nH]cc1C#N 1122037709 ZADCXMCPSIPENL-GXTWGEPZSA-N 316.361 -0.389 30 20 DBED COC[C@H](OC)C(=O)NC[C@@H](CO)Nc1ccc(C#N)nc1 1122466558 PMXCYLDVHVAATQ-STQMWFEESA-N 308.338 -0.496 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C[C@@H](O)CNc1cnc(C#N)cn1 1124519608 NCYFQQHRZVTWCY-AAEUAGOBSA-N 317.349 -0.382 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]cc1C#N)C(=O)C(C)(C)C(N)=O 1124554477 LSAQYVKRSIDFEJ-LLVKDONJSA-N 319.365 -0.882 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)C[C@@H](C)OC 1124606616 IHBVWOBZELBKRA-GHMZBOCLSA-N 314.386 -0.483 30 20 DBED C[C@H](C#N)C(=O)N(C)C[C@H](O)CN(C)c1cncc(C#N)n1 1124988906 PFVKZHPPMNTFCZ-ZYHUDNBSSA-N 302.338 -0.237 30 20 DBED C[C@@H](NCCNC(=O)C#CC1CC1)C(=O)Nc1ncccn1 1126875803 NUWROHUSQRRERE-LLVKDONJSA-N 301.350 -0.077 30 20 DBED C=CCNC(=O)CN1C[C@H](n2ccnn2)[C@H](NC(=O)CCC)C1 1128656852 GRKYAAHKSNZLHT-OLZOCXBDSA-N 320.397 -0.278 30 20 DBED C#CCCN[C@@H]1CN(C(=O)c2cnnn2C)C[C@@H]1n1ccnn1 1129792100 XVLNVDPHLVSNDT-YPMHNXCESA-N 314.353 -0.915 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1ocnc1C(F)(F)F 1131795918 GGEZRKLNVAJMBD-UHFFFAOYSA-N 319.243 -0.347 30 20 DBED C=CCNC(=O)CN1C[C@H](NC(=O)CNC(=O)CC)CC[C@H]1C 1131908759 MZLOHKCBEQDEEU-CHWSQXEVSA-N 324.425 -0.216 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)C1=COCCO1 1133583038 YSXMFLXNBYSCSP-RYUDHWBXSA-N 309.366 -0.503 30 20 DBED C=CCOCC(=O)N[C@H](C)C[C@H](C)NCC(=O)NC(=O)NC 1133909325 KACSUYWYLCLUGA-WDEREUQCSA-N 314.386 -0.483 30 20 DBED C[C@H](C[C@@H](C)NC(=O)c1c[nH]c(C#N)c1)NCC(=O)NC(N)=O 1134138330 GIWWUBRBROULSL-RKDXNWHRSA-N 320.353 -0.432 30 20 DBED C#CCCN[C@H](C)C[C@H](C)NC(=O)CCNS(C)(=O)=O 1134508311 AIBJEJUMMNUPGL-NEPJUHHUSA-N 303.428 -0.178 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)COCC(F)F 1135071447 TUVCWRNGLBNJLX-GHMZBOCLSA-N 319.352 -0.110 30 20 DBED C=CCNC(=O)CNCCNC(=O)CCCn1ccnc1C 1135307144 PSVPIHXBTAPOQM-UHFFFAOYSA-N 307.398 -0.020 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)C(C)(C)NC(C)=O 1135686373 HGPGGNNSEMSYQG-NEPJUHHUSA-N 324.425 -0.477 30 20 DBED CCN(CC)CC(=O)N[C@@H](C)C[C@H](C)NCC(=O)NCC#N 1135742934 BAMBWXRSXYGWHC-STQMWFEESA-N 311.430 -0.159 30 20 DBED C=CCOCC(=O)N1CC2(CCN(CCS(C)(=O)=O)C2)C1 1147260824 HBNGUFCKWHWVNA-UHFFFAOYSA-N 316.423 -0.232 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)C2(C(=O)N(C)C)CC2)C1=O 1147307177 HCKBMYBKXXZFSR-GFCCVEGCSA-N 322.409 -0.653 30 20 DBED COCC#CCN1CCC2(C1)CN(C(=O)CN1CCOCC1)C2 1147392870 UZJOLGRRDFMFSR-UHFFFAOYSA-N 321.421 -0.497 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)c1cccn(C)c1=O 1148309205 JOEVNOPTMRHXSV-NSHDSACASA-N 306.366 -0.605 30 20 DBED C#CCNC(=O)CN1CCCO[C@H](CNC(=O)C=C(C)C)C1 1149116514 KPBOFNIAWOMUDH-CQSZACIVSA-N 307.394 -0.091 30 20 DBED COCC#CCN1CCCO[C@@H](CNC(=O)c2ccncn2)C1 1150461681 HFWIGRBUPVDCBW-AWEZNQCLSA-N 318.377 -0.053 30 20 DBED COCCC1(NC(=O)[C@H]2CN(C)CCO2)CCN(CC#N)CC1 1151047675 VEPCQDDPUJICBU-CQSZACIVSA-N 324.425 -0.172 30 20 DBED C=CCO[C@H](C)C(=O)NCCNCC(=O)NCCCOC 1153135048 MDMMRLKLNIYRHO-GFCCVEGCSA-N 301.387 -0.564 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H](C)N(CC)CCS(C)(=O)=O 1153332240 RSHWPZVIUOEERQ-CHWSQXEVSA-N 318.439 -0.104 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)Cn1nc(C)cc1C 1162134465 OEPMPSUJPYHGRC-AWEZNQCLSA-N 319.409 -0.266 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1nc(C)ncc1Cl 1167684932 NUJZCUNRNFTZML-UHFFFAOYSA-N 323.784 -0.103 30 20 DBED CCCn1ncc(C(=O)NCCCNCC(=O)NCC#N)c1C 1169144934 LOWCBDWYLKWLOO-UHFFFAOYSA-N 320.397 -0.049 30 20 DBED C[C@@H](CCCCNCC#N)NC(=O)c1nccnc1C(N)=O 1176496352 RPXWBGDJVNNMGU-JTQLQIEISA-N 304.354 -0.023 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@H](C)CS(C)(=O)=O 1177090318 KDMLUEIDTRFADW-LLVKDONJSA-N 319.427 -0.935 30 20 DBED C=CCCOCC(=O)N1CC[C@@H]2OCCN(CC(N)=O)[C@@H]2C1 1177161540 DEAFBEHBMQYCDS-OLZOCXBDSA-N 311.382 -0.634 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)c2cnccn2)[C@H]1C 1178046988 VGCFIMYHAPBXJI-AGIUHOORSA-N 315.377 -0.193 30 20 DBED CC#CCN[C@H]1CCN(C(=O)[C@H]2CN(C(C)=O)CCO2)[C@H]1C 1180037211 GYPKGOCOJFUZBN-AEGPPILISA-N 307.394 -0.164 30 20 DBED C=C(C)CN(CC)C(=O)CN[C@@H]1CCN(C(=O)CC(N)=O)C1 1181760404 LFFLVWWAOUKVNL-GFCCVEGCSA-N 310.398 -0.523 30 20 DBED CC#CCN[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 1182560440 BRHIIQDUNULGNN-QWHCGFSZSA-N 315.377 -0.024 30 20 DBED C=CCNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)C2(C)CC2)C1 1182726974 DZHLCZRWQLXKGJ-LLVKDONJSA-N 308.382 -0.011 30 20 DBED C#CCNC(=O)CNC[C@H]1CCN(C(=O)CC(C)(C)O)C[C@H]1C 1184275031 VZFIWKNJCMCGFK-ZIAGYGMSSA-N 323.437 -0.029 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2ccnc(C)n2)C1 1187894063 DGYWMYATMCNCLM-WCQYABFASA-N 315.377 -0.273 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@@H]1CCN(C(=O)CSCC#N)C1 1188984238 WVXMADAHMCJQHS-QWHCGFSZSA-N 322.434 -0.086 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@@H](N(C)Cc2nncn2C)C1 1190093934 FFROZCVQORFZHS-CHWSQXEVSA-N 305.382 -0.114 30 20 DBED C=CCCOCC(=O)N1CC[C@H]2CN(CC(=O)NC(N)=O)C[C@H]21 1190425407 XLCSTQAWANZTEJ-NWDGAFQWSA-N 324.381 -0.693 30 20 DBED Cc1nc(O)[nH]c1C(=O)N1CC[C@@H](N(C)CC(=O)NCC#N)C1 1190808792 KCLCNKQZTGZLRY-SNVBAGLBSA-N 320.353 -0.790 30 20 DBED C[C@H](c1cnccn1)N1C[C@@H](O)[C@H](NC(=O)CSCC#N)C1 1191162226 OQOOFTYWJNKVIH-RAIGVLPGSA-N 321.406 -0.044 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@@H]1CCN(C(=O)c2csnn2)C1 1191587382 WGMKQCJPEIHCGD-GHMZBOCLSA-N 321.406 -0.178 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)c2cc(C)sn2)C1 1192546057 BWYPCIKUGMQRDY-CHWSQXEVSA-N 309.391 -0.124 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C#CC(C)(C)C)C1 1192871247 NYEDPTNBEQPDMB-CHWSQXEVSA-N 307.394 -0.501 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@H]1CCN(C(=O)c2ncccn2)C1 1193018485 TUESTHCHMJHMCH-STQMWFEESA-N 315.377 -0.239 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)CCCCNC(N)=O)C1 1194500660 UGDXGFDFQJSZNY-CHWSQXEVSA-N 312.414 -0.048 30 20 DBED N#CCNC(=O)CNC1CCN(C(=O)C[C@H]2COC(=O)C2)CC1 1200070458 HAFGQUIEEREOCX-LLVKDONJSA-N 322.365 -0.840 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)[C@H]2CCCN2C)CCCO1 1200123019 KHZVGKSRHHXUOB-HZPDHXFCSA-N 323.437 -0.063 30 20 DBED C=CCNC[C@H]1CN(C(=O)[C@@H](C)NC(=O)COC)CCCO1 1200581784 GJYJFYHCUSBOJZ-OLZOCXBDSA-N 313.398 -0.469 30 20 DBED C=CCNC[C@@H]1CN(C(=O)[C@H]2CCCS2(=O)=O)CCCO1 1202107970 DMRBEHREJLXXQE-CHWSQXEVSA-N 316.423 -0.043 30 20 DBED C#CCNC(=O)[C@H](C)NC1CCN(C(=O)Cc2cnc[nH]2)CC1 1202675435 YTSSSDWSJBIJDX-LBPRGKRZSA-N 317.393 -0.329 30 20 DBED CCS(=O)(=O)N[C@H](C)C(=O)N1CCC(CNCC#N)CC1 1205361816 AJTAZFHRDQIHNA-LLVKDONJSA-N 316.427 -0.334 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(Cc2nonc2C)C[C@H]1C 1206887563 QKKIHCQWUJLGDE-ZYHUDNBSSA-N 319.365 -0.546 30 20 DBED C#CCOCCC(=O)N1CCC[C@H](NCC(=O)NCC#N)C1 1208031756 DHLHHVIYUVFZJZ-ZDUSSCGKSA-N 306.366 -0.753 30 20 DBED CCN(C)CCC(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1210033039 GFGWRRPAIVYSEK-CHWSQXEVSA-N 309.414 -0.596 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)COC(C)C)[C@H](OC)C1 1211977569 LOZRETURIIFZSP-CHWSQXEVSA-N 313.398 -0.471 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)C2CCOCC2)C[C@H]1C 1214039030 ULOCOPHUXAQPBW-UMVBOHGHSA-N 321.421 -0.013 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2cnn(C)c2)C[C@H]1C 1214114356 SPYZGKQASBLHHP-YRGRVCCFSA-N 317.393 -0.392 30 20 DBED N#CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)CCC1CC1 1217560897 RRQUKQSUGYMMOQ-UONOGXRCSA-N 320.393 -0.272 30 20 DBED C=CCNC(=O)CN1CC[C@@H]2CN(C(=O)[C@@H](C)NC(C)=O)[C@@H]2C1 1221243892 USAVYSYWZFPCNQ-MRVWCRGKSA-N 322.409 -0.654 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1CCN([C@H](C)C(=O)NC)CC1 1223182405 DGRQRADQVBICBI-OLZOCXBDSA-N 309.410 -0.013 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cocn1 1225355969 OBFVAHYYUGWSEW-GHMZBOCLSA-N 305.338 -0.055 30 20 DBED CC(C)[C@@H](O)C(=O)NCC[C@H]1CN(CC#N)CCS1(=O)=O 1230460245 OPSCRLHXOQLBBV-NWDGAFQWSA-N 317.411 -0.868 30 20 DBED N#CCCOCCN[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 1261237189 KIZHJPGMIQNNLY-OLZOCXBDSA-N 317.411 -0.996 30 20 DBED C[C@@H]1C[C@H](CNC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)[C@@H](C)O1 1261473609 MGVPPUPVLWOTHY-BLTAXRJOSA-N 309.366 -0.207 30 20 DBED CC(C)(C)N1CCN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)CC1 1261484482 BPIYDFQRSKQFNY-MRXNPFEDSA-N 322.409 -0.194 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[C@@H](CF)C2)c1=O 1262052354 RQUYSWMEVABJKK-LBPRGKRZSA-N 324.356 -0.207 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@]2(C)CC(C)=NO2)CC1 1262607941 SAZHTKUEBYPWPE-INIZCTEOSA-N 320.393 -0.175 30 20 DBED N#CCSCC(=O)N1CCC(n2cnc(C(N)=O)c2N)CC1 1321823969 CZUCBVNVPKCDNW-UHFFFAOYSA-N 322.394 -0.016 30 20 DBED C#CCOCCNC(=O)C(=O)NCCCOC1CCOCC1 1324878189 KZLCQQAELMSSRI-UHFFFAOYSA-N 312.366 -0.546 30 20 DBED CN(CCOCCO)C(=O)C(=O)NCc1ccc(C#N)cc1 1326152403 IXQQGWVHEVGMGD-UHFFFAOYSA-N 305.334 -0.358 30 20 DBED C[C@H](NC(=O)C(=O)N1CCC(C#N)CC1)c1nnnn1C1CC1 1329343744 BSLSQWTWZYILMC-VIFPVBQESA-N 317.353 -0.053 30 20 DBED C=CCOCCNC(=O)C(=O)N1CCC(c2nncn2C)CC1 1329386239 LEALQACZOIIHCZ-UHFFFAOYSA-N 321.381 -0.160 30 20 DBED C=CCOCCNC(=O)C(=O)N[C@H](CC)CN1CCOCC1 1334201476 KVAHXDWIZJFUKF-CYBMUJFWSA-N 313.398 -0.468 30 20 DBED C=CCN(CCOC)c1nnnn1C[C@H](C)S(C)(=O)=O 1334393051 NTEDGAINXLDSPA-JTQLQIEISA-N 303.388 -0.255 30 20 DBED C#CCOCCNC(=O)C(=O)NCCc1cn2c(n1)SCC2 1342430565 MUEVUDCUGFIVMF-UHFFFAOYSA-N 322.390 -0.587 30 20 DBED COCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N(C)CCO 1348219125 KNJMZLHWZAPCEW-UHFFFAOYSA-N 319.361 -0.016 30 20 DBED C#CCN1CCC[C@@H](NC(=O)C(=O)Nc2nnn(C)c2C)C1 1353465841 URJYVLUWWCZOKN-LLVKDONJSA-N 304.354 -0.724 30 20 DBED C=CCNC(=O)Cn1nnnc1N1C[C@@H](C)O[C@@H](COC)C1 1355583050 VFOKLBPXSSSKOM-GHMZBOCLSA-N 310.358 -0.785 30 20 DBED CN(C)C1CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)CC1 1362139253 UPHHWOAOSPWENS-UHFFFAOYSA-N 319.365 -0.237 30 20 DBED N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)CC1OCCO1 1363129732 NIINRVDICYMCJI-UHFFFAOYSA-N 307.310 -0.181 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)NC[C@@H]1CCN(C(N)=O)C1 1364909344 VAGMZPCSUTXAFE-UWVGGRQHSA-N 303.388 -0.687 30 20 DBED CC(C)N(C(=O)CNC[C@H](O)CNC(=O)[C@@H](C)C#N)C(C)C 1379189829 OPFGUDQTVJEFOB-STQMWFEESA-N 312.414 -0.142 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(N(CCO)CC(=O)NC2CC2)CC1 1388844988 DHZBJLWSZPMDIG-LBPRGKRZSA-N 322.409 -0.290 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]1CNC(=O)CCS(C)(=O)=O 1389685578 AUGLZALRHJGUGA-VHSXEESVSA-N 301.368 -0.702 30 20 DBED C=C(Cl)CNC[C@@H](C)NC(=O)c1cn(CC(N)=O)nn1 1392534220 DTALWUVLNYHAJB-MRVPVSSYSA-N 300.750 -0.776 30 20 DBED CC(=O)NCC(=O)N1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 1396913476 KSGOTCMDIGOHPK-NSHDSACASA-N 303.322 -0.647 30 20 DBED N#Cc1ccc(CNC[C@@H](O)CNC(=O)[C@@H]2COC(=O)N2)s1 1401511235 RFKXTSWFOLNRNH-KCJUWKMLSA-N 324.362 -0.705 30 20 DBED N#Cc1ccc(CNC[C@H](O)CNC(=O)[C@@H]2COC(=O)N2)s1 1401511242 RFKXTSWFOLNRNH-KWQFWETISA-N 324.362 -0.705 30 20 DBED COCCN(CCNC(=O)c1csnn1)C(=O)[C@H](C)C#N 1405762462 QGHUYEBOIBLYQL-SECBINFHSA-N 311.367 -0.097 30 20 DBED C[C@H](C#N)C(=O)NC1CN(C(=O)C2(NC(N)=O)CCCCC2)C1 1416048409 XKJVSCHTVUSRGG-SNVBAGLBSA-N 321.381 -0.156 30 20 DBED C[C@H]1CC[C@H](C)N1CC(=O)NCCn1cc(C#N)c(O)nc1=O 1418528755 GULXSVZWZWMDKB-QWRGUYRKSA-N 319.365 -0.190 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNCC1CCS(=O)(=O)CC1 1422263985 JCGWEVMHNRBHAK-CMPLNLGQSA-N 317.411 -0.962 30 20 DBED C[C@@H](C#N)C(=O)NCc1cc(O)nc(CNC(=O)C2CC2)n1 1429156196 BCNGBVIYQVSOAW-QMMMGPOBSA-N 303.322 -0.016 30 20 DBED CN(CCN(C)C(=O)[C@@H]1COCCO1)C(=O)c1ccc(C#N)[nH]1 1431346017 YAPDCFUBHHOXON-ZDUSSCGKSA-N 320.349 -0.168 30 20 DBED N#Cc1c[nH]c(C(=O)NCC2(O)CN(Cc3csnn3)C2)c1 1446833205 AJQDXYIEJFDCSJ-UHFFFAOYSA-N 318.362 -0.285 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H]1CNC(=O)CCN1CCOCC1 1451436238 QMALGZHQWTUZEK-ZIAGYGMSSA-N 322.409 -0.024 30 20 DBED N#Cc1cc(C(=O)NCCc2nnc3n2CCNC3=O)cs1 1471864913 XCYZWFYMHQULGE-UHFFFAOYSA-N 316.346 -0.073 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)c2cccc(O)n2)C1 1480107861 MGBRIBHFGOZVDK-NEPJUHHUSA-N 316.361 -0.271 30 20 DBED C=CCCO[C@H](C)C(=O)N[C@H]1CCN(CC(=O)NC(N)=O)C1 1494695137 CMLJRASQCPBTHI-MNOVXSKESA-N 312.370 -0.647 30 20 DBED N#Cc1ncn(CC(=O)N[C@@H](c2ccccc2)c2nn[nH]n2)n1 1557722291 GZKACUOUBJVWIO-LBPRGKRZSA-N 309.293 -0.431 30 20 DBED COC[C@@]1(C(=O)O)CN(S(=O)(=O)CCCCC#N)CCO1 1574147253 SWNLTZFCHWYQHO-GFCCVEGCSA-N 320.367 -0.188 30 20 DBED N#C[C@]12CN(C(=O)[C@@H]3CC[C@H]3C(=O)O)C[C@H]1CS(=O)(=O)C2 1574479901 PWPHSQPXJTVVDV-DCJFZGGZSA-N 312.347 -0.506 30 20 DBED C[C@@H](CN=c1cc[nH]c(-c2nn[nH]n2)n1)CNC(=O)[C@H](C)C#N 1574836652 KAQDJRPLQNYBPP-DTWKUNHWSA-N 315.341 -0.598 30 20 DBED N#Cc1cccnc1NCCNC(=O)[C@@]1(F)CNCC12COC2 1580080384 RXLXTWHEMCNTGN-HNNXBMFYSA-N 319.340 -0.191 30 20 DBED C#CCN1CCN(C(=O)c2cc(O)cc(-c3nn[nH]n3)c2)CC1 1588353571 XCTIGGXXRWRLOM-UHFFFAOYSA-N 312.333 -0.037 30 20 DBED C#CC[C@@H](NC(=O)c1ccsc1S(N)(=O)=O)C(=O)O 1588415665 DEZWPSABBHROJC-SSDOTTSWSA-N 302.333 -0.398 30 20 DBED C#CCN(C(=O)NC/C=C(\C)C(=O)O)[C@@H]1CCS(=O)(=O)C1 1588460319 XWKSRCDIBSGBCZ-LLMHMKPQSA-N 314.363 -0.151 30 20 DBED C=C(C)C[C@@H](NC(=O)Cn1nc2n(c1=O)CCCC2)C(=O)O 1588543059 CMFISMNLHWSZSC-SNVBAGLBSA-N 308.338 -0.083 30 20 DBED C=CCNC(=O)CN1CCN(c2nccnc2C(=O)O)CC1 1588844822 VYPJUAKBTLRXFG-UHFFFAOYSA-N 305.338 -0.401 30 20 DBED N#Cc1cn(CC(=O)O)c(=O)n(CC(=O)C2CCCC2)c1=O 1594633089 MWJCYRPMBWPTGM-UHFFFAOYSA-N 305.290 -0.274 30 20 DBED COC(=O)C1(C#N)CCN(S(=O)(=O)C[C@H](C)C(=O)O)CC1 1598716091 FOVVMRSHKQRXDR-VIFPVBQESA-N 318.351 -0.184 30 20 DBED COc1cc(C#N)ccc1NC(=O)C(=O)NC[C@H](O)CC(=O)O 1599348481 YQGKMPMAYCIVFL-SECBINFHSA-N 321.289 -0.543 30 20 DBED N#CCN(CCC(=O)O)C(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O 1601069719 FUYHHTHQZKYVAS-GHMZBOCLSA-N 321.333 -0.012 30 20 DBED N#Cc1ccc(CC(=O)N2CCNC(=O)[C@@H]2CC(=O)O)cn1 1601098781 YCNLGUPIUIATKX-NSHDSACASA-N 302.290 -0.703 30 20 DBED C=C(Cn1c(=O)c(C#N)cn(CC(=O)O)c1=O)C(=O)OCC 1602712268 MAYZHJWSMKYRDB-UHFFFAOYSA-N 307.262 -0.914 30 20 DBED Cc1nnc(N2CCN(C(=O)[C@](C)(C#N)CC(=O)O)CC2)n1C 1605444681 PHVRDEZCESLZDP-AWEZNQCLSA-N 320.353 -0.223 30 20 DBED COCCN(C)C[C@H](O)Cn1cc(C(=O)O)cc(C#N)c1=O 1606878869 ISVJDHKDMCVWBQ-LBPRGKRZSA-N 309.322 -0.643 30 20 DBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)NCC[S@](C)=O 1645665335 JIWYBZKHSVRMGP-NRFANRHFSA-N 312.399 -0.184 30 20 DBED C[S@](=O)CCN1CCN(C(=O)C2(C#N)CCOCC2)CC1 1649706658 JGQQDMZFGBVWHG-NRFANRHFSA-N 313.423 -0.171 30 20 DBED N#CCN[C@@H](CNC(=O)[C@H]1COCCN1CC(F)F)C1CC1 1752472431 IVHIMPLLLDPMKJ-NWDGAFQWSA-N 316.352 -0.040 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC[C@H](CNC(=O)c2cnn[nH]2)C1 1752782498 MRAHZFOEKAJCCE-VXGBXAGGSA-N 318.381 -0.616 30 20 DBED C=CCNC(=O)CN1CCC[C@H](CNC(=O)[C@@H](C)CC(N)=O)C1 1752784833 KMQUXSSROQNNFJ-QWHCGFSZSA-N 324.425 -0.372 30 20 DBED CC(C)OCCC(=O)NC[C@@H]1CCN(CC(=O)NCC#N)C1 1753120385 RUWHXMNNLXHGLH-ZDUSSCGKSA-N 310.398 -0.121 30 20 DBED C#CCNC(=O)CNCCN(C)C(=O)c1cncnc1C1CC1 1753256658 PPHGZIVPVMNPPK-UHFFFAOYSA-N 315.377 -0.235 30 20 DBED COCC#CCN(CCCNC(=O)CS(C)(=O)=O)C(C)C 1753284754 JSKAREIBEVNFSL-UHFFFAOYSA-N 318.439 -0.103 30 20 DBED C#CCCNC[C@H](O)CNC(=O)[C@H]1CCc2nnc(C)n2C1 1753937546 PIERRNRPYCJWIQ-STQMWFEESA-N 305.382 -0.761 30 20 DBED C=CCNC(=O)CNC/C=C/CNC(=O)c1nnn(C)c1C 1754104968 ACNDUOACKFPFNW-AATRIKPKSA-N 306.370 -0.699 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCN(C)C(=O)[C@H]1CCCC(=O)N1 1754378746 WIVOGZHDESFCMG-CHWSQXEVSA-N 324.425 -0.216 30 20 DBED C=CCNC(=O)[C@@H](C)NC1(CNC(=O)[C@H]2CCNC(=O)C2)CC1 1754510467 KTTNJYUWVSMAOU-NEPJUHHUSA-N 322.409 -0.558 30 20 DBED COCCC(=O)N1CCC2(CCN(CC(=O)NCC#N)CC2)C1 1754557290 FPHWQSXSLPKZBH-UHFFFAOYSA-N 322.409 -0.023 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@]1(O)CCN(CCn2cccn2)C1 1754751526 NZLUWACMFGERNQ-ZBFHGGJFSA-N 320.393 -0.526 30 20 DBED C#CCCN1CC[C@@](O)(CNC(=O)[C@@H]2COCCN2CC)C1 1754752294 FSEJBPVVKHUSSP-GOEBONIOSA-N 309.410 -0.717 30 20 DBED CC#CCN1CC(O)(CNC(=O)c2ccc(C(N)=O)cc2)C1 1754777375 XBJQYOZDEGFONX-UHFFFAOYSA-N 301.346 -0.415 30 20 DBED C#CCN1C[C@@H]2CCCN(C(=O)CCNC(=O)COC)[C@@H]2C1 1754874083 JOTDPRQQUIQQSQ-UONOGXRCSA-N 307.394 -0.305 30 20 DBED CNC(=O)NCCC(=O)N[C@H]1CCN(CC#CCOC)[C@H](C)C1 1755159274 FPKQYOKJLLGMOI-KGLIPLIRSA-N 324.425 -0.076 30 20 DBED CCc1nc(C)c(C(=O)NC[C@@H](CO)NCC#CCOC)o1 1755642864 BJNRTYYLCVXYKP-LBPRGKRZSA-N 309.366 -0.124 30 20 DBED C#CCCN[C@H](CO)CNC(=O)c1ccnc(-n2cncn2)c1 1755649274 RCDYHLGCUATFRF-ZDUSSCGKSA-N 314.349 -0.634 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@H](CO)NC(=O)c1oncc1C 1756515729 OMRMPWMXNKIWBT-IINYFYTJSA-N 311.338 -0.483 30 20 DBED Cc1cn(C)nc1C(=O)N[C@@H](CO)CNC(=O)C#CC(C)C 1756518358 XLYFMHBMGWLYNY-GFCCVEGCSA-N 306.366 -0.405 30 20 DBED C#CCOCCC(=O)N1C[C@@H](NC(=O)Cn2cncn2)C[C@H]1C 1756590222 OGJYQBZKHNUAAG-OLZOCXBDSA-N 319.365 -0.576 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)C(C)(C)NC(C)=O)CCO2 1783046234 DKACXVPYWHJSJD-MRXNPFEDSA-N 321.377 -0.636 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1snnc1C)CCO2 1783050191 KROXHFDOMFNPKO-AWEZNQCLSA-N 320.374 -0.077 30 20 DBED CC[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)C#N 1792629471 FPPUFBMGZGCVOE-RNJOBUHISA-N 323.393 -0.103 30 20 DBED N#CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CC[C@H](N)C(N)=O)C2 1795461201 PGEVMPIBHMMYAQ-USZNOCQGSA-N 321.381 -0.869 30 20 DBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccon1)CCO2 1834490084 IGALJKVDEHQTNO-HNNXBMFYSA-N 319.317 -0.622 30 20 DBED C#CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(OC)nn1C 1848340686 IJVCZPDMHSHTRI-QWRGUYRKSA-N 302.334 -0.123 30 20 DBED CCNS(=O)(=O)[C@H]1CCN(CC(=O)N(CC)CCC#N)C1 92841808 VWTRTIVPIUOWSM-LBPRGKRZSA-N 316.427 -0.238 30 20 DBED C#CCN1CCN(C(=O)CS[C@H]2CCS(=O)(=O)C2)CC1 128387936 XSKHIEXWFFOVND-LBPRGKRZSA-N 316.448 -0.316 30 20 DBED COC[C@@H](C)N/C(N)=N/CCNS(=O)(=O)c1cccs1 160488985 YUWVFAWKQNRRQT-SECBINFHSA-N 320.440 -0.034 30 20 DBED CC[C@H](CC#N)NC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 183960544 LBKAZLVUYPQPNQ-UONOGXRCSA-N 322.409 -0.024 30 20 DBED C#CCCCC(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 192122690 MBABUGOIPJUXAC-CQSZACIVSA-N 307.394 -0.161 30 20 DBED C=CCn1c(SCc2nc(N)nc(N(C)C)n2)n[nH]c1=O 268362730 XEKUXNUPGPGWCK-UHFFFAOYSA-N 308.371 -0.117 30 20 DBED CC(C)C(=O)NCCN(C)c1c(C#N)c(=O)n(C)c(=O)n1C 271093364 KSTRQKBZOJADGI-UHFFFAOYSA-N 307.354 -0.836 30 20 DBED CC(C)CN1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC1=O 275055139 UOOZQYALMNGVFQ-UHFFFAOYSA-N 319.365 -0.740 30 20 DBED N#Cc1ncccc1S(=O)(=O)N1CCN(CCCO)CC1 277208389 QJLYGGNWFIOUIR-UHFFFAOYSA-N 310.379 -0.358 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C2(S(C)(=O)=O)CC2)C1=O 281338885 LHAMPCSAPCYBQZ-JTQLQIEISA-N 300.380 -0.191 30 20 DBED C#Cc1cc(F)c(NC(=O)C(=O)N(C)C[C@H](O)CO)c(F)c1 283245505 KZMKXINAVXNUET-VIFPVBQESA-N 312.272 -0.304 30 20 DBED CO/N=C/C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 289761972 QZHFKXQWXJJHKU-XYOKQWHBSA-N 316.339 -0.719 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)NCC(C)C)c1=O 299283443 WVWWDXASZXNBMC-UHFFFAOYSA-N 322.365 -0.684 30 20 DBED CS(=O)(=O)N1CCC[C@@H]1CN/C(O)=N/CCN1CCC1 328729092 HEBIDHSSWMMZLI-LLVKDONJSA-N 304.416 -0.380 30 20 DBED C/C(O)=N/C1CN(/C(O)=N/C[C@H]2CCCN2S(C)(=O)=O)C1 329823518 HNVPXHUREYCDSL-LLVKDONJSA-N 318.399 -0.015 30 20 DBED CN(/C(O)=N/[C@@H]1[C@H]2COC[C@H]21)[C@H]1CCN(S(C)(=O)=O)C1 330209893 HXKRWQUOSBKYQN-UKKRHICBSA-N 303.384 -0.489 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)NC[C@@H](C)N1CCN(C)CC1 330402301 VASKDIZHSNFLBN-QWHCGFSZSA-N 317.459 -0.452 30 20 DBED CCN1CCN(CCNS(=O)(=O)N(C)CCC#N)CC1 330815921 NIWKILXJPQDEER-UHFFFAOYSA-N 303.432 -0.696 30 20 DBED CC(C)N1C(=O)C[C@H](NS(=O)(=O)N(C)CCC#N)C1=O 331160222 ZXTCNDZWRKJJKC-VIFPVBQESA-N 302.356 -0.798 30 20 DBED C=CC[C@H](CO)NC(=O)[C@H]1OCC(=O)N(C)[C@H]1c1cnn(C)c1 343792281 GVPNFANAVKBQGP-XBFCOCLRSA-N 322.365 -0.628 30 20 DBED CC[C@@H](C)NC(=O)CN1CCN(S(=O)(=O)[C@H](C)C#N)CC1 352413660 PZZYQGRAECXBOT-VXGBXAGGSA-N 316.427 -0.239 30 20 DBED CCCN(CC#N)C(=O)Cn1ccc2c(=O)n(C)c(=O)n(C)c21 362570213 RUGUNKQQVGNCEJ-UHFFFAOYSA-N 317.349 -0.199 30 20 DBED COCC(=O)N1CCN(S(=O)(=O)N(C)C[C@@H](C)C#N)CC1 407952358 GLANYTFEFGBHHS-NSHDSACASA-N 318.399 -0.887 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N1CCS(=O)(=O)[C@H](C)[C@H]1C 407956489 MCZPJXIOAGINRT-GMTAPVOTSA-N 323.440 -0.170 30 20 DBED COC(=O)c1conc1C(C)(C)NC(=O)NCC(=O)NCC#N 425775243 DSRDWUVGNJUNFB-UHFFFAOYSA-N 323.309 -0.365 30 20 DBED C=C[C@@H]1OCC[C@H]1N[C@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O 451608219 RLPYXYJRNXGDHU-BBBLOLIVSA-N 322.365 -0.830 30 20 DBED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)C(=O)NC)c1 490760528 NJJLBZJTCYRHEO-SNVBAGLBSA-N 323.374 -0.538 30 20 DBED CCC[C@H](C#N)NC(=O)CN1CCN(S(C)(=O)=O)CC1 531588176 MLDGMHIDOSKZIJ-LLVKDONJSA-N 302.400 -0.628 30 20 DBED COC(=O)CNC(=O)[C@@H](C)N(C)CCCc1[nH]nc(N)c1C#N 534096587 MIPOWIHMHFOQPE-SECBINFHSA-N 322.369 -0.594 30 20 DBED O=C1CCc2cc(OC[C@H](O)CNCC#CCO)ccc2N1 581607936 CMCXZGXHCRBABF-CYBMUJFWSA-N 304.346 -0.104 30 20 DBED C[C@@]1(C2CC2)NC(=O)N(CC(=O)N2CC[C@](O)(CC#N)C2)C1=O 592840460 VMHCVBQKBVFTIP-LSDHHAIUSA-N 320.349 -0.416 30 20 DBED CCC1(Cn2cc(C(=O)N3CCN(CC#N)CC3)nn2)COC1 597275167 VUFCKUWXMTUZNJ-UHFFFAOYSA-N 318.381 -0.014 30 20 DBED CC(C)(C)CN(CCO)C(=O)C(=O)N1CCN(CCC#N)CC1 601451485 CDBCLCWLKUFQIL-UHFFFAOYSA-N 324.425 -0.089 30 20 DBED CCN1C(=O)[C@H]2CN(C(=O)c3ccc(C#N)[nH]3)CCN2C1=O 611037865 OVESDYGCCKYPAW-LLVKDONJSA-N 301.306 -0.005 30 20 DBED C=CCN1CC[C@@H](N(C)S(=O)(=O)C[C@H](COC)OC)C1=O 641475210 DZODSTPJMHRAPB-NWDGAFQWSA-N 320.411 -0.304 30 20 DBED CCNC(=O)CNC(=O)C(=O)Nc1ccc(F)cc1OCC#N 761004775 LDEBFVZJLNBZOD-UHFFFAOYSA-N 322.296 -0.081 30 20 DBED C#CCNS(=O)(=O)N1CCN(Cc2cnc(C)nc2)CC1 761031434 RTPUQGVWFPRNRN-UHFFFAOYSA-N 309.395 -0.630 30 20 DBED C#CCN1CCN(Cn2nc(C(=O)OC)cc2C(=O)OC)CC1 765669274 HPHJKTJHWOHHOK-UHFFFAOYSA-N 320.349 -0.335 30 20 DBED C[C@@H]1CN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C[C@@H]1O 768827501 TVHJUFIKTKGYRP-KOLCDFICSA-N 323.374 -0.436 30 20 DBED CCN(CC)CC#C[C@H](C)OC(=O)c1cn(C)c(=O)n(C)c1=O 770805559 LGJZCWWYANWHFH-LBPRGKRZSA-N 321.377 -0.026 30 20 DBED C#C[C@@H](NS(=O)(=O)c1cnn(CCOC)c1)[C@@H]1CCCO1 773057163 PDEAFTVUFPSTIA-OLZOCXBDSA-N 313.379 -0.011 30 20 DBED C#C[C@@H](NC(=O)NCCCNS(=O)(=O)CC)[C@@H]1CCCO1 773277085 QPSBWPFZRDUWES-NEPJUHHUSA-N 317.411 -0.204 30 20 DBED CC[C@@H](NN=Cc1nc2c(c(O)nc(=O)n2C)n1C)C(=O)O 793056591 HGOYYHPEZJWYAE-ZCFIWIBFSA-N 308.298 -0.841 30 20 DBED C=CCOC[C@H](NC(=O)C[C@H]1SC(=N)NC1=O)C(=O)OC 797761678 IGFSTDBKVUUJMT-JGVFFNPUSA-N 315.351 -0.597 30 20 DBED C#CCC[C@H](O)CNC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C 799077090 YQGURFFYSKYWQA-QWRGUYRKSA-N 304.412 -0.159 30 20 DBED COCCCS(=O)(=O)N1CCN(CCO[C@H](C)C#N)CC1 801929146 GSQMNBFYFNYUIS-CYBMUJFWSA-N 319.427 -0.101 30 20 DBED C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)NCC(=O)NCC#N 805359860 QDOVHPZYJVGSPM-VIFPVBQESA-N 313.358 -0.161 30 20 DBED N#C[C@@H]1COCCN1S(=O)(=O)c1ccc(-c2nn[nH]n2)nc1 822806024 IFHJNZMOXWGBIW-MRVPVSSYSA-N 321.322 -0.825 30 20 DBED COc1cccc(C(=O)NCC(=O)N[C@H]2CNC[C@H]2C#N)c1 834500331 SCUCCHFBPRXLTB-YPMHNXCESA-N 302.334 -0.347 30 20 DBED N#C[C@@H]1CNC[C@H]1NC(=O)CCNS(=O)(=O)c1ccccc1 834505746 NNVUSZXLLDVNHL-DGCLKSJQSA-N 322.390 -0.417 30 20 DBED C#CCN1CCN(C(=O)Cn2nc(CC)n(CC)c2=O)CC1 842657726 HFSWEGVZXBLQES-UHFFFAOYSA-N 305.382 -0.596 30 20 DBED N#CC1(CNC(=O)[C@H](CO)NC(=O)c2cccc(F)n2)CC1 846059894 MZNNHIWDXZNHCX-JTQLQIEISA-N 306.297 -0.269 30 20 DBED C/N=C(/NCCCc1cnn(C)n1)NCCN1CCOCC1 849030477 KNDNAFJGKMAKBN-UHFFFAOYSA-N 309.418 -0.755 30 20 DBED C#CCNC(=O)[C@@H](C)OC(=O)c1ccccc1OCC(N)=O 857836025 FRWTWKNEOZPCFA-SNVBAGLBSA-N 304.302 -0.155 30 20 DBED C#CC[C@H](CCOC)NC(=O)NCCNS(=O)(=O)N(C)C 875636872 BPVGJISGFSBRFB-LLVKDONJSA-N 320.415 -0.890 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](NC(=O)c2cc(C(N)=O)co2)C1 938797451 RINXAQZDJDRYRA-SCZZXKLOSA-N 304.306 -0.131 30 20 DBED C[C@H](C#N)C(=O)N1CCCN(C(=O)c2cn(C)c(O)n2)CC1 942153114 QEMVLGDEIWDUGZ-SNVBAGLBSA-N 305.338 -0.040 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)[C@@H]1CCOC1 950755983 ZCVDYZIRBDWYLD-ILXRZTDVSA-N 319.405 -0.162 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2CCN2C(=O)Cc2nc[nH]n2)nc1 951378423 SYOWHLOCMBDGMB-LBPRGKRZSA-N 324.344 -0.246 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1nc[nH]n1 951593748 LJNXAPADGCTSLI-MXWKQRLJSA-N 305.338 -0.274 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](CNC(=O)c2cnn(C)c2N)C1 958001120 ZBZGZNZETDRGDU-MWLCHTKSSA-N 313.789 -0.223 30 20 DBED C=CCCN1C[C@@H](O)[C@H](CNC(=O)c2ccc(C(N)=O)cn2)C1 958743954 CSDNGFSMTFCGIQ-TZMCWYRMSA-N 318.377 -0.221 30 20 DBED C=CCCN1C[C@@H](O)[C@H](CNC(=O)c2cc(C(N)=O)ccn2)C1 958773190 HYBAGGNXXLXYHE-TZMCWYRMSA-N 318.377 -0.221 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)C(F)F)C1 961090014 QMVVLTGQHLTICT-VWYCJHECSA-N 315.320 -0.963 30 20 DBED Cc1c(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)cnn1C 961583151 KBWBOHXRPSXCQW-AXTRIDKLSA-N 305.338 -0.810 30 20 DBED COc1nc(C(=O)NC[C@@H]2COCCN2C(=O)[C@@H](C)C#N)co1 964265233 DTXQLDBXGYVHDY-VHSXEESVSA-N 322.321 -0.200 30 20 DBED O=C(C#CC1CC1)N1CC2(C1)CN(C(=O)c1cn[nH]c1)CCO2 965324990 UIXPCFXLYABEOT-UHFFFAOYSA-N 314.345 -0.124 30 20 DBED C#CCCN1CC([C@@H](C)NC(=O)[C@@H]2CN(C(C)=O)CCO2)C1 970826417 QNZTXQAORMPVIK-DOMZBBRYSA-N 307.394 -0.307 30 20 DBED C=CCN1CC[C@H](N(C)[C@@H]2CCN(C(=O)c3nc[nH]n3)C2)C1=O 972579825 RXDNXTVZPRMCND-NEPJUHHUSA-N 318.381 -0.262 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2cc[nH]n2)C1 973898556 FUUDASOKBHGRPB-SCRDCRAPSA-N 315.377 -0.116 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)[C@]3(C)CNC(=O)C3)[C@H]2C1 976848889 ANCNTGGMJCOFSI-HGBDMZGYSA-N 304.350 -0.755 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2[C@@H]3CN(C(=O)c4cnn[nH]4)C[C@@H]32)cn1 976916976 RWFJYIDRTWYCSJ-IMRBUKKESA-N 322.328 -0.319 30 20 DBED CN(C[C@@H]1CCN1C(=O)C#CC1CC1)C(=O)[C@@H]1COC(=O)N1 977657905 PVAMHVVGRSFGIY-RYUDHWBXSA-N 305.334 -0.433 30 20 DBED C#CCN1C[C@H]2[C@H](CNC(=O)[C@@H]3CC(=O)N(CCOC)C3)[C@H]2C1 978246853 NXZBFXFMFZWEMQ-TUVASFSCSA-N 319.405 -0.592 30 20 DBED C#CCN1C[C@H]2[C@H](CNC(=O)[C@@H]3CCc4nnnn4CC3)[C@H]2C1 978740017 LCTUSBLWIXGQOL-SYQHCUMBSA-N 314.393 -0.447 30 20 DBED C=CCCN1C[C@@H]2C(CNC(=O)[C@H]3CCS(=O)(=O)N3)[C@H]2C1 979069506 BKANUXOCXYVRQZ-JHJVBQTASA-N 313.423 -0.452 30 20 DBED C#CCN1C[C@H]2C[C@H](NC(=O)CN3CCNC(=O)C3)CC[C@H]2C1 980163944 SAGQUKXTKDTSJN-RRFJBIMHSA-N 318.421 -0.732 30 20 DBED N#Cc1c[nH]c(C(=O)N2CCCN([C@H]3CCNC3=O)CC2)c1 980917363 LVTMKGOHKRZKFS-ZDUSSCGKSA-N 301.350 -0.077 30 20 DBED C#CCN[C@@H]1CCC[C@H](NC(=O)c2cn(CC(N)=O)nn2)C1 981538939 SDIQKLJKJRGZQR-MNOVXSKESA-N 304.354 -0.973 30 20 DBED CN(CC#N)C1CCN(C(=O)[C@@H]2CCc3nnc(O)n3C2)CC1 985509594 VEWYMSPFPGELCC-LLVKDONJSA-N 318.381 -0.008 30 20 DBED C[C@@H]1C[C@@H](NCC#N)CN1C(=O)CN1CCCS1(=O)=O 988929421 SRSWDVAWKHEWJM-GHMZBOCLSA-N 300.384 -0.876 30 20 DBED C#CCN[C@@H]1C[C@H](C)N(C(=O)c2ccc(S(N)(=O)=O)o2)C1 989096681 YROVQJHFIZKLMK-VHSXEESVSA-N 311.363 -0.247 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1CNC(=O)[C@@H]1CCC(=O)N1 994384488 PJKRQXRHMHBHLJ-BNOWGMLFSA-N 317.389 -0.111 30 20 DBED CC(=O)N1CC(n2cc(CNC(=O)c3cc(C#N)c[nH]3)nn2)C1 994701023 NLFIECOADLMZLK-UHFFFAOYSA-N 313.321 -0.189 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C(N)=O)[nH]1 996105197 ZGWLAVMFYZQXMI-MIMYLULJSA-N 301.306 -0.767 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)[C@H]3COC(=O)N3)C2)cn1 997091284 WNCSBENKEYBXIS-GFCCVEGCSA-N 314.301 -0.888 30 20 DBED C[C@H](C#N)C(=O)N1CC(NC(=O)[C@@H]2CCCS(=O)(=O)C2)C1 1000278123 SJJGAENHASPCIU-NXEZZACHSA-N 313.379 -0.702 30 20 DBED COCC(=O)N1C[C@H]2C[C@@H]3CN(C(=O)[C@H](C)C#N)C[C@]2(C1)O3 1001573517 WTVSVWSFMHIKHJ-BLTAXRJOSA-N 307.350 -0.379 30 20 DBED CN1C(=O)CC[C@@H]1C(=O)NCC1CN(C(=O)C#CC2CC2)C1 1003771607 SXEZPGBKZFYMTL-CYBMUJFWSA-N 303.362 -0.405 30 20 DBED CC1(C)CN(C(=O)C(N)=O)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 1008074423 ITIKTQZLOLVZJY-SNVBAGLBSA-N 303.322 -0.662 30 20 DBED C[C@@H](NC(=O)c1nc[nH]n1)[C@H]1CN(C(=O)C#CC2CC2)CCO1 1009697008 PIZLOPPCGDLUMS-ZYHUDNBSSA-N 317.349 -0.436 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)OC)C[C@H]2O)nc1 1024921262 BUMNDYMCTOOMAV-ZLKJLUDKSA-N 317.345 -0.601 30 20 DBED CC#CCN1CCC[C@@H]1CNC(=O)c1cnc(O)n(C)c1=O 1028069573 LREPGUCPDZGTON-LLVKDONJSA-N 304.350 -0.297 30 20 DBED C=CCCn1cc(C(=O)NC[C@@H]2CCCN2CC(N)=O)nn1 1028192322 KEFMPQPIILIIIC-NSHDSACASA-N 306.370 -0.466 30 20 DBED C=C(Cl)CN1CC(NC(=O)[C@H]2CN(C(C)=O)CCO2)C1 1031332603 JQYYWYZFHSJVEV-GFCCVEGCSA-N 301.774 -0.213 30 20 DBED C=CCN1CC[C@@H](N2CC(CNC(=O)c3nonc3C)C2)C1=O 1032225833 JNUCAPFTPOKTJV-GFCCVEGCSA-N 319.365 -0.173 30 20 DBED C#CCCN1CC[C@@H](N(C)C(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 1033285826 MOBUANBHLVPXLO-OCCSQVGLSA-N 315.377 -0.079 30 20 DBED C#CCCN1CC[C@H](N(CC)C(=O)[C@H]2CCS(=O)(=O)N2)C1 1034043394 DWZRNRXHQHUTSD-QWHCGFSZSA-N 313.423 -0.376 30 20 DBED Cc1nc2n(n1)C[C@@H](C(=O)NC[C@@H]1CN(CC#N)CCO1)CC2 1035453973 HCZAFGWYPXZSJB-QWHCGFSZSA-N 318.381 -0.511 30 20 DBED C=CCN1CC2(CCN(C(=O)c3cn(CC(N)=O)nn3)CC2)C1 1035857233 PJOXWLDXRPCJPB-UHFFFAOYSA-N 318.381 -0.513 30 20 DBED CC#CCN1CC[C@H]2CN(C(=O)CN3CCOCC3=O)CC[C@H]21 1036738734 MMSBGQNVBVOWCR-LSDHHAIUSA-N 319.405 -0.209 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCN1CCN1CCNC1=O 1038714709 TZKZITNMIXNXTI-MJBXVCDLSA-N 322.409 -0.207 30 20 DBED C#CCCCC(=O)NC[C@]1(O)CCN(C(=O)[C@H](C)NC(C)=O)C1 1039568129 ALVKAZNUYUNZPD-BLLLJJGKSA-N 323.393 -0.606 30 20 DBED C#CCCCC(=O)NC[C@]1(O)CCN(C(=O)C2(C(N)=O)CC2)C1 1039573536 IHOPNZJGNDIEIQ-OAHLLOKOSA-N 321.377 -0.865 30 20 DBED C#CCCCC(=O)NC[C@@]1(O)CCN(C(=O)c2cnn(C)c2)C1 1039573853 KTGFHYBGASTUJR-INIZCTEOSA-N 318.377 -0.083 30 20 DBED C#CCOCCC(=O)NC[C@]1(O)CCN(C(=O)[C@H]2CCCO2)C1 1039719252 QPPJRBJEPILSMC-CZUORRHYSA-N 324.377 -0.715 30 20 DBED C#Cc1ccc(C(=O)N2CC(O)(CNC(=O)[C@H](C)OC)C2)cn1 1041760016 ZISYRMLBHMGULM-NSHDSACASA-N 317.345 -0.599 30 20 DBED C#CCN1CC[C@]2(CCN(C(=O)CN3C(=O)CCC3=O)C2)C1 1041824923 ZIJKQDVPRPPCIY-INIZCTEOSA-N 303.362 -0.307 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)c2c[nH]nc2CC)C1 1042047046 GRGQMXOFAWVLAR-UHFFFAOYSA-N 322.365 -0.522 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(O)(CNC(=O)c2coc(C)n2)C1 1042744230 HSFNGYGLKNPNBC-AWEZNQCLSA-N 323.349 -0.387 30 20 DBED Cc1nccn1CC(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1043129560 AWBLRZPJKCAHJN-UHFFFAOYSA-N 316.361 -0.706 30 20 DBED N#CCSCC(=O)N1CC(O)(CNC(=O)Cc2ccc[nH]2)C1 1043291091 JQGARQMGWNWOAP-UHFFFAOYSA-N 322.390 -0.497 30 20 DBED N#Cc1nccc(N2C[C@H](O)[C@H](NC(=O)c3ccnnc3)C2)n1 1044576057 CCEHHKOHMTYGNK-MNOVXSKESA-N 311.305 -0.882 30 20 DBED C=C[C@@H](C)[C@H](C)C(=O)N1CC(O)(CNC(=O)c2nc[nH]n2)C1 1044789277 KBFAVPIWEBBVEN-ZJUUUORDSA-N 307.354 -0.434 30 20 DBED Cc1cnn(C)c1C(=O)NCC1(O)CN(C(=O)[C@H](C)C#N)C1 1044953580 NYHBKAXONDMKJU-SECBINFHSA-N 305.338 -0.809 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)CC2CCOCC2)C1 1045541007 OMPGCGDDDHEOPW-LLVKDONJSA-N 309.366 -0.348 30 20 DBED C#CCN1CC[C@H](N2CCN(C(=O)c3cnnc(O)c3)CC2)C1 1046037080 LRWJLPQWKSIMRM-AWEZNQCLSA-N 315.377 -0.353 30 20 DBED C#CCCN1CC[C@@](C)(NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 1046668608 HSXXCCWTISUEJB-MRXNPFEDSA-N 318.377 -0.699 30 20 DBED C=CCN1CC[C@H](NC[C@@]2(C)CCN(C(=O)C(N)=O)C2)C1=O 1046903162 OPWIMNOEQJNOCY-XHDPSFHLSA-N 308.382 -0.913 30 20 DBED C=C(C)C(C)(C)C(=O)N1CC(O)(CNC(=O)Cc2nc[nH]n2)C1 1046909148 HUAGJXXCJIUSLQ-UHFFFAOYSA-N 321.381 -0.361 30 20 DBED C#CCN1CCC(F)(F)[C@@H](CNC(=O)C2CS(=O)(=O)C2)C1 1046939621 OPMNHZYALGWQAF-NSHDSACASA-N 320.361 -0.262 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cn(CCOC)nn2)C1 1047377748 HHGBRJVHHDOSQY-STQMWFEESA-N 309.370 -0.772 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3c(c2)ncn3C)C1 1047483239 DRPFHQLYNVVMCF-KBPBESRZSA-N 313.361 -0.281 30 20 DBED CCOc1cnc(C(=O)N(C)[C@H]2CN(CC#N)C[C@@H]2O)cn1 1047649974 OICLHESKLLGWGD-RYUDHWBXSA-N 305.338 -0.484 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)N2CCOCC2)C1 1047653587 LUBDNKFKQQXLEV-KKUMJFAQSA-N 309.410 -0.766 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)COCC=C)C1 1048554772 GVCJJSLHYLECFM-RDBSUJKOSA-N 324.377 -0.743 30 20 DBED C#CCN1C[C@H]2CN(C(=O)[C@@H](Cn3cccn3)N(C)C)C[C@H]2C1 1048862218 UFSJWTMBPAWQLS-OWCLPIDISA-N 315.421 -0.163 30 20 DBED C#CCOCCC(=O)N[C@@H](C)[C@@H]1CCN(C(=O)CNC(C)=O)C1 1049862599 LOLZHCYVACLPKS-GXTWGEPZSA-N 323.393 -0.484 30 20 DBED C[C@@H]1[C@@H](NC(=O)c2ncn(C)n2)CCN1c1ccnc(C#N)n1 1050240086 JKKGSHJVUUBONB-ZJUUUORDSA-N 312.337 -0.126 30 20 DBED C=C(Cl)CN1CCOC[C@H]1CNC(=O)[C@H]1CCNC1=O 1051059672 GWMXIHGRQGKLHT-MNOVXSKESA-N 301.774 -0.308 30 20 DBED C#CCCN1CCOC[C@@H]1CNC(=O)[C@@H]1CN(CC)CCO1 1051252628 YIXMMGOEQZYXSX-GJZGRUSLSA-N 309.410 -0.453 30 20 DBED C=CCOCC(=O)N1C[C@@H](C)[C@H](CNC(=O)c2cnnn2C)C1 1052220488 JZJMVXYXYBAMKG-VXGBXAGGSA-N 321.381 -0.158 30 20 DBED C#CCOCCC(=O)N1C[C@@H](C)[C@H](CNC(=O)c2cnon2)C1 1052597738 AQWSTWBFXGJLFJ-VXGBXAGGSA-N 320.349 -0.066 30 20 DBED C#CCCN1CC2(CC[C@@H](CNC(=O)[C@H]3CCC(=O)N3)O2)C1 1053582850 NSLNHVVTXPZLIY-QWHCGFSZSA-N 305.378 -0.362 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)[C@@H]3COCCN3C)CO2)C1 1053782100 FHZSWVPDVBNNAC-KBPBESRZSA-N 307.394 -0.700 30 20 DBED CCOCC(=O)NC1CCN(CCNC(=O)[C@H](C)C#N)CC1 1055629781 KCXBICYYSJPTOX-GFCCVEGCSA-N 310.398 -0.121 30 20 DBED CS(=O)(=O)CC(=O)N1CC[C@@H](Nc2cnc(C#N)cn2)C1 1056580862 QOXPHYONTXSJHT-SECBINFHSA-N 309.351 -0.594 30 20 DBED N#Cc1cnc(N[C@@H]2CCN(C(=O)[C@H]3CCNC(=O)C3)C2)cn1 1056599986 XKDVFXVLGVIWAE-WDEREUQCSA-N 314.349 -0.113 30 20 DBED N#Cc1cncc(N[C@@H]2CCN(C(=O)C3CS(=O)(=O)C3)C2)n1 1056709485 OAQYHPYUFIXNNS-SNVBAGLBSA-N 321.362 -0.594 30 20 DBED Cc1nn(C)cc1C(=O)N(CCO)CCNC(=O)C#CC1CC1 1057226454 UFFUQTAPCRQCFD-UHFFFAOYSA-N 318.377 -0.307 30 20 DBED N#Cc1cnc(N[C@@H]2CCCN(C(=O)[C@@H]3COC(=O)N3)C2)cn1 1057631673 UQMIIRGTENBYSQ-KOLCDFICSA-N 316.321 -0.140 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1058226395 KEZJBFIRCBRAOS-PRFQISJJSA-N 321.377 -0.493 30 20 DBED CN1CCO[C@@H](C(=O)N[C@@H]2CCN(c3ccncc3C#N)C2)C1 1058317042 NFDZIOLRAPHPNB-UKRRQHHQSA-N 315.377 -0.021 30 20 DBED N#Cc1cnc(N2CC[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)c(F)c1 1058544851 JXEYTWMEFGUYEY-MXWKQRLJSA-N 317.324 -0.091 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1CCN(C(=O)C2CS(=O)(=O)C2)C1 1058974691 ZUPHUBJPZCVVBV-LBPRGKRZSA-N 320.374 -0.567 30 20 DBED C[C@@H](C#N)C(=O)NCC[C@@H]1CCN(C(=O)Cn2nccn2)C1 1059710841 WTHLSYKFTSJQCB-NWDGAFQWSA-N 304.354 -0.207 30 20 DBED Cn1ncc(C(=O)NC[C@H]2CCN(c3cncc(C#N)n3)C2)n1 1061623621 XDKCPKSLAJOGRN-SNVBAGLBSA-N 312.337 -0.267 30 20 DBED C=CCOCC(=O)N1CCOC[C@H]1CNC(=O)Cc1cnoc1 1061800738 LMINGFDTFQEKBS-CYBMUJFWSA-N 323.349 -0.237 30 20 DBED C#CCO[C@@H](C)C(=O)NC1(CNC(=O)[C@H]2COCCO2)CCC1 1062594516 ZOULVIVLZKLMTO-QWHCGFSZSA-N 324.377 -0.405 30 20 DBED CC(C)C#CC(=O)NCC1(NC(=O)c2nnn(C)n2)CCC1 1062965028 XAYOGMBPJONYCA-UHFFFAOYSA-N 304.354 -0.362 30 20 DBED CC(C)(C)C#CC(=O)NCC1(NC(=O)Cn2cnnn2)CCC1 1062978935 DWPCSPXWAKTJIF-UHFFFAOYSA-N 318.381 -0.122 30 20 DBED Cn1cnc(C(=O)N[C@H]2[C@H]3C[C@H]2N(c2cnc(C#N)cn2)C3)n1 1064242540 OQDRRCMKUPQEDQ-XRNSZHNASA-N 310.321 -0.516 30 20 DBED C#Cc1ccccc1CC(=O)NC1(CNC(=O)C(N)=O)CCC1 1064289879 NOLWRIPFDRVETF-UHFFFAOYSA-N 313.357 -0.149 30 20 DBED C=CCCC(=O)N1CCO[C@H](CNC(=O)[C@@H]2CCNC2=O)C1 1064959136 HGFBAWPCZNNHAH-VXGBXAGGSA-N 309.366 -0.568 30 20 DBED C[C@]1(NC(=O)[C@@H]2COCCO2)CCN(c2cncc(C#N)n2)C1 1065210566 NWJGPOVFXQPORN-WFASDCNBSA-N 317.349 -0.151 30 20 DBED C[C@@]1(NC(=O)[C@@H]2CNC(=O)N2)CCN(c2ccncc2C#N)C1 1065326289 NIBGAXZQLQJJCR-XHDPSFHLSA-N 314.349 -0.280 30 20 DBED C[C@@]1(NC(=O)[C@H]2CNC(=O)N2)CCN(c2ccc(C#N)nc2)C1 1065326860 SHCPKQXUFBEVHA-IUODEOHRSA-N 314.349 -0.280 30 20 DBED Cc1cc(C#N)nc(N2CC[C@H]3[C@@H]2CCCN3C(=O)C(N)=O)n1 1066183381 PFCXXKIWOIBLQT-RYUDHWBXSA-N 314.349 -0.288 30 20 DBED C[C@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1Nc1cncc(C#N)n1 1067149461 TZNYNJZOPXIRMI-ONGXEEELSA-N 313.325 -0.706 30 20 DBED C=CCO[C@H](C)C(=O)N(C)CCCN(C)C(=O)c1nnn(C)n1 1067690876 NXSGRKYBQMJQJY-LLVKDONJSA-N 324.385 -0.278 30 20 DBED Cn1cnc(C(=O)NC[C@H]2[C@@H]3CN(c4ccc(C#N)nn4)C[C@H]23)n1 1068170461 GVWNLLGKGPEVNK-CNDDSTCGSA-N 324.348 -0.411 30 20 DBED Cn1nncc1C(=O)NC[C@H]1[C@@H]2CN(c3cnc(C#N)cn3)C[C@H]12 1068172136 KVEYWKMQHRAOFK-CNDDSTCGSA-N 324.348 -0.411 30 20 DBED N#Cc1ccc(N2C[C@@H]3CC[C@@H](NC(=O)C(N)=O)C[C@H]3C2)nn1 1068268149 WVDGPZOAMWMCHY-GARJFASQSA-N 314.349 -0.445 30 20 DBED C=CCCC(=O)N1CCOC2(C1)CN(C(=O)c1nc[nH]n1)C2 1068345953 DUYFPDCTNAZYBL-UHFFFAOYSA-N 305.338 -0.176 30 20 DBED C=CCOCC(=O)NC[C@@H]1CCC2(CN(C(=O)COC)C2)O1 1068539791 SAODVLMBPBGRDW-LBPRGKRZSA-N 312.366 -0.288 30 20 DBED Cn1nnc(C(=O)N[C@H]2C[C@H](CNc3nccnc3C#N)C2)n1 1068567267 YRPHYUURBWCJGK-KYZUINATSA-N 313.325 -0.508 30 20 DBED CCn1ccnc1C(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1 1069918430 QDEMFTOVAWWTCH-NEPJUHHUSA-N 314.353 -0.327 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@@H](OC)C2CC2)C[C@@H]1n1ccnn1 1070187771 QCOQYYDYTVMWHU-RDBSUJKOSA-N 303.366 -0.322 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCCN(C(=O)[C@@H](C)OCC)C1 1070463583 IFINSQGYSYJZGZ-CHWSQXEVSA-N 323.393 -0.342 30 20 DBED CC#CCN1C[C@H]2C[C@H]3CN(C(=O)c4nc[nH]n4)C[C@@]3(C1)O2 1070869744 YAILZJBHVHOSNT-YWPYICTPSA-N 301.350 -0.257 30 20 DBED C#CCCCCC(=O)N1C[C@H](C)[C@@H](NC(=O)Cn2ncnn2)C1 1071929306 NXDOQFURQCCVGZ-STQMWFEESA-N 318.381 -0.170 30 20 DBED C#CCNC(=O)CC(=O)N1CCC(C)(NC(=O)COC)CC1 1072962205 MEUXVWVYSIUSAS-UHFFFAOYSA-N 309.366 -0.730 30 20 DBED C=CCN1CCCO[C@H](CNC(=O)c2cn(C)c(=O)cn2)C1 1073703211 IWBGAOUTSGARMQ-GFCCVEGCSA-N 306.366 -0.213 30 20 DBED C#CCCN1CCO[C@@H]2CCN(C(=O)C3(C(N)=O)CC3)C[C@@H]21 1074327150 PPTQQSIBQVCFKK-QWHCGFSZSA-N 305.378 -0.423 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CCN(C(=O)Cc2ncc[nH]2)CC1 1074693015 WIOXFHSLHOXXGQ-NSHDSACASA-N 319.365 -0.418 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]2CN(CCN3CCNC3=O)C[C@H]21 1075616413 SDNPWLWOTJZYBZ-RWMBFGLXSA-N 305.382 -0.296 30 20 DBED C[C@@H](CCNC(=O)C1(NC(N)=O)CC1)NC(=O)C#CC1CC1 1076204360 FPSZTMAUQMYOAW-JTQLQIEISA-N 306.366 -0.388 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)c1cc(C)no1 1076217922 OOSSHJCPUWDYFX-JTQLQIEISA-N 320.349 -0.253 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H](C)CCNC(=O)CC(=O)N(C)C 1076571153 WOIUTVAYZODKMV-NWDGAFQWSA-N 311.382 -0.486 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)c2ccn(CCOC)n2)C1 1077360173 VKLOLNWUJRZGPC-ZIAGYGMSSA-N 308.382 -0.120 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2cnc3cc(C)nn3c2C)C1 1077479016 TWVCGTREECUDEP-ZIAGYGMSSA-N 313.361 -0.246 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN2C(C)=O)C1 1078035632 KCUUDRRVWWWBTD-FRRDWIJNSA-N 315.801 -0.089 30 20 DBED C=CCOCC(=O)N1CC(N(CC)C(=O)C2CN(C(C)=O)C2)C1 1079671652 YFKJVUGWFBFNFU-UHFFFAOYSA-N 323.393 -0.273 30 20 DBED C=CCOCC(=O)NC1(CO)CCN(C(=O)c2ncc[nH]2)CC1 1080773108 IFFKRAFKCARZPX-UHFFFAOYSA-N 322.365 -0.304 30 20 DBED C#CCNC(=O)CC(=O)NC1(CO)CCN(C(=O)CC)CC1 1080824414 LPNBRGGHSBXFTL-UHFFFAOYSA-N 309.366 -0.994 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CO)(NC(=O)CCCN(C)C)CC1 1080971667 LIBKCIJIDXIIRC-ZDUSSCGKSA-N 324.425 -0.042 30 20 DBED C=CCCOCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2cn[nH]c2)C1 1081295764 VADODRWDDKLDAK-CHWSQXEVSA-N 322.365 -0.449 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)CNC(=O)CC)C[C@H]1O 1081332212 BXDBVGYMLYJURT-NWDGAFQWSA-N 311.382 -0.586 30 20 DBED O=C(CN1CCCC1)NC[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 1081499843 PGPYTVNNQBVUED-CABCVRRESA-N 319.405 -0.569 30 20 DBED C=CCCC(=O)N1C[C@H](CNC(=O)C2(C(N)=O)CC2)[C@@H](O)C1 1081714166 UIYOSJYVUNTAHQ-QWRGUYRKSA-N 309.366 -0.846 30 20 DBED CO[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1NC(=O)C(N)=O 1082086931 YTIBCPKUEZTVOZ-ZIAGYGMSSA-N 301.346 -0.661 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 1083785170 IXFACUGXTFOYRO-KXNHARMFSA-N 315.801 -0.198 30 20 DBED C#CCN1CC[C@H](NC(=O)Cn2c(O)nnc2O)CC(C)(C)C1 1089546752 VBQOWFMPIYMCCX-NSHDSACASA-N 321.381 -0.071 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(c2cc(C)nc(C)n2)C[C@H]1O 1090488338 HDAARINYMXYDOV-IACUBPJLSA-N 318.377 -0.203 30 20 DBED COCC[C@@H](C)C(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1091109538 ZYZFEAIHTYFOPK-RTXFEEFZSA-N 319.365 -0.313 30 20 DBED N#Cc1cnc(NCCNC(=O)CN2C(=O)CCC2=O)c(F)c1 1093626067 WSAHCFNVKABFGK-UHFFFAOYSA-N 319.296 -0.231 30 20 DBED N#Cc1c[nH]ccc1=NCCNC(=O)C[C@@H]1CCC(=O)NC1 1093924950 YVEBSXZNWOTCDU-NSHDSACASA-N 301.350 -0.180 30 20 DBED Cc1nc(NCCNC(=O)c2nnc(O)nc2O)ccc1C#N 1094253450 PJWIWSXJOVAQGB-UHFFFAOYSA-N 315.293 -0.300 30 20 DBED CCNC(=O)CC(=O)N1CCCN(c2cncc(C#N)n2)CC1 1095177317 OLSINQNRWUGOAQ-UHFFFAOYSA-N 316.365 -0.087 30 20 DBED CCN(CCCNC(=O)[C@H](C)NC(N)=O)c1cncc(C#N)n1 1095866195 OKSWAAVSYTVBQG-JTQLQIEISA-N 319.369 -0.262 30 20 DBED CNC(=O)NCC(=O)N[C@@H]1CCCN(c2cncc(C#N)n2)C1 1096239793 NKVPRVYDXVYMKB-SNVBAGLBSA-N 317.353 -0.638 30 20 DBED CC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C[C@H]1CC(=O)NC1=O 1096680568 MACFNJFVBBGYLM-RNJOBUHISA-N 303.362 -0.216 30 20 DBED COC[C@H](OC)C(=O)N[C@H]1C[C@H](N=c2cc[nH]c(C#N)n2)C1 1097100884 JLHFRUQUWQOJQI-DCAQKATOSA-N 305.338 -0.509 30 20 DBED C#CCN(CCO)C1CCN(C(=O)COC[C@H]2CCOC2)CC1 1098490174 CXFNLGBYRPNNCI-HNNXBMFYSA-N 324.421 -0.042 30 20 DBED CNC(=O)CC(=O)N1CC[C@H](CNc2nccnc2C#N)C1 1098521476 DZFLNSYPRPNKJK-SNVBAGLBSA-N 302.338 -0.255 30 20 DBED C#CCN1C[C@@H]2CCC[C@]2(NC(=O)c2nnc(O)nc2O)C1 1098923678 ZLLGFNUXDUFMIA-XPTSAGLGSA-N 303.322 -0.500 30 20 DBED C[C@@H](CCNC(=O)CN1CCOCC1)Nc1ccc(C#N)nn1 1099090491 AFEIUBUNQRXKKZ-LBPRGKRZSA-N 318.381 -0.013 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)Cc2cnn(C)c2)[C@H](O)C1 1099711501 AMZUJTODZVXLIG-HUUCEWRRSA-N 320.393 -0.836 30 20 DBED C#CCCCC(=O)N[C@@H]1CCN(Cc2n[nH]c(C)n2)C[C@H]1O 1099804908 UCQVGZBXXFWECN-CHWSQXEVSA-N 305.382 -0.032 30 20 DBED CCC(C)(C)C(=O)N[C@H]1CCN(CC(=O)NCC#N)C[C@@H]1O 1099981336 NSYHBYRQWZELRV-RYUDHWBXSA-N 310.398 -0.386 30 20 DBED CN1CCO[C@@H](C(=O)NCCN(C)c2cncc(C#N)n2)C1 1099996299 FXCNLUHAKXNQST-GFCCVEGCSA-N 304.354 -0.769 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2nc(C)c[nH]2)[C@@H](O)C1 1100029621 QVPLBWVFHYNRAV-STQMWFEESA-N 306.366 -0.467 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)Cc2nonc2C)[C@H](O)C1 1100055588 FYKQRNJATPKPJK-GXTWGEPZSA-N 324.381 -0.325 30 20 DBED NC(=O)CN1CC[C@@H](NC(=O)CC#Cc2ccccc2)[C@H](O)C1 1100119341 ILVXLAAVJRZGBC-HUUCEWRRSA-N 315.373 -0.535 30 20 DBED C=CCNC(=O)CNC1CC(CNC(=O)c2n[nH]c(C)c2O)C1 1100245012 OAIXPJUCQSSWID-UHFFFAOYSA-N 321.381 -0.176 30 20 DBED CCN(CCNC(=O)[C@@H]1COCCN1C)c1nccnc1C#N 1100491546 HUGTVVLDWTVKLK-ZDUSSCGKSA-N 318.381 -0.379 30 20 DBED CCN(CCNC(=O)Cn1cnnc1O)c1cnc(C#N)cn1 1100497889 JNAXFOSOIOMTRG-UHFFFAOYSA-N 316.325 -0.712 30 20 DBED CC#CCNC1CC(CNC(=O)CN2CC(=O)N(C)C2=O)C1 1100865489 UFJNUBZYAILARC-UHFFFAOYSA-N 306.366 -0.612 30 20 DBED C[C@@H](CC(N)=O)C(=O)NC[C@H]1CCN(c2ccc(C#N)nn2)C1 1101036962 WOBGCYVALQPBBO-WDEREUQCSA-N 316.365 -0.198 30 20 DBED N#Cc1cnc(N(CCNC(=O)Cn2ncnn2)C2CC2)cn1 1101391325 WGWWCKQETUITAW-UHFFFAOYSA-N 313.325 -0.880 30 20 DBED N#Cc1cnc(N2CCCC[C@@H](NC(=O)CC(N)=O)C2)cn1 1102863563 ZRTQACHXOCREFR-SNVBAGLBSA-N 302.338 -0.301 30 20 DBED CC[C@@H](CNC(=O)Cn1cnnc1O)Nc1nccnc1C#N 1103065621 IEBSQJNWGZZRCN-VIFPVBQESA-N 316.325 -0.348 30 20 DBED C[C@@H](CNC(=O)[C@@H]1COC(=O)N1)CNc1cncc(C#N)n1 1103944987 IAYLRIBECQBSRH-SCZZXKLOSA-N 304.310 -0.379 30 20 DBED C=CCNCc1cn(C2CN(C(=O)C3(C(N)=O)CC3)C2)nn1 1105315324 HPZQERZEVMQCLE-UHFFFAOYSA-N 304.354 -0.798 30 20 DBED N#CCSCC(=O)NC[C@@H](O)CNc1nc[nH]c2ncnc1-2 1105755348 RLPVQLVUJGUCQS-MRVPVSSYSA-N 321.366 -0.550 30 20 DBED COc1cc(C(=O)NC[C@@H](O)CNc2cnc(C#N)cn2)on1 1105795329 YGFGKUGCWIUBGA-VIFPVBQESA-N 318.293 -0.452 30 20 DBED C[C@H](C(=O)NC[C@H](O)CNc1cncc(C#N)n1)n1cncn1 1105829647 VWCKJEFSRIRIIO-MWLCHTKSSA-N 316.325 -0.910 30 20 DBED COCCO[C@@H](C)C(=O)NC[C@H](O)CNc1nccnc1C#N 1105963945 WDSOUEIBLSMFTC-WDEREUQCSA-N 323.353 -0.711 30 20 DBED N#Cc1cncc(NC[C@H](O)CNC(=O)COCC(F)F)n1 1106032612 SIXGAESITASROD-VIFPVBQESA-N 315.280 -0.481 30 20 DBED Cc1cc(=NC[C@H](O)CNC(=O)[C@]2(F)CCOC2)c(C#N)c[nH]1 1106073736 YGXHGJKZXOALMK-WFASDCNBSA-N 322.340 -0.299 30 20 DBED CCS(=O)(=O)N[C@@H](C)C(=O)N1C[C@@H](C)[C@H](CNCC#N)C1 1106158720 ABYVCDGWSFIDGU-GRYCIOLGSA-N 316.427 -0.478 30 20 DBED C[C@@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)[C@H]1COC(=O)N1 1106312664 CHOXIJVWAZUWEA-DTWKUNHWSA-N 304.310 -0.815 30 20 DBED N#Cc1nc(=NC/C=C/CNC(=O)C[C@H]2COC(=O)C2)cc[nH]1 1107123504 AJCLEMKCGMSGMJ-FMBMQGQPSA-N 315.333 -0.192 30 20 DBED CC(C)(C(N)=O)C(=O)NC/C=C/CNc1nccnc1C#N 1107386430 IGAOXEQBOMCNRB-ONEGZZNKSA-N 302.338 -0.056 30 20 DBED N#Cc1ccc(NC/C=C\CNC(=O)[C@H]2CCNC2=O)nn1 1107453626 ZMUMQQDIMADPGM-RFMOXSJOSA-N 300.322 -0.431 30 20 DBED C#CCCN1CCO[C@](C)(CNC(=O)c2c[nH]c(=O)cn2)C1 1108166318 ZEGAPKCRWDNTGB-OAHLLOKOSA-N 304.350 -0.386 30 20 DBED COCC(=O)N[C@@H](C)C(=O)N[C@H](C)CNc1nccnc1C#N 1108174145 LOZNJBUUWAOQGW-ZJUUUORDSA-N 320.353 -0.584 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)[C@H](C)N2CCOCC2)C1 1108446783 JCZFCQATNZCGIM-GOEBONIOSA-N 309.410 -0.453 30 20 DBED C=CCN1CCN(C(=O)CCCOC)[C@@H]2CS(=O)(=O)C[C@@H]21 1108460195 OEAOQCJPTPTHEV-QWHCGFSZSA-N 316.423 -0.091 30 20 DBED COCC#CCN1CC(N2C[C@@H](NC(=O)CCOC)CC2=O)C1 1108496310 HIUOWRQOICCTCO-ZDUSSCGKSA-N 323.393 -0.926 30 20 DBED C=CCOCC(=O)N[C@@H]1CC(=O)N(C2CN(CCOC)C2)C1 1108523447 JPVCGVVGYRGDKD-GFCCVEGCSA-N 311.382 -0.763 30 20 DBED N#CCN1CC(N2C[C@@H](NC(=O)/C=C\c3ccc[nH]3)CC2=O)C1 1108537166 NPPUARTTYCFEEA-SCOBNMCVSA-N 313.361 -0.047 30 20 DBED CO[C@@H](C(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1)C(C)C 1108569947 SNIKHFAENLFXQC-BXUZGUMPSA-N 308.382 -0.418 30 20 DBED CO[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N)C1CC1 1109226241 LLLPOAQHPJURQQ-UKTARXLSSA-N 320.393 -0.227 30 20 DBED N#Cc1c[nH]ccc1=NC1(CNC(=O)[C@@H]2COC(=O)N2)CC1 1110121693 KDHHEZNHRFHUPW-NSHDSACASA-N 301.306 -0.456 30 20 DBED N#Cc1nccnc1NC1(CNC(=O)C2(C(N)=O)CC2)CC1 1110323343 LKILLNONRSFXBR-UHFFFAOYSA-N 300.322 -0.326 30 20 DBED CO[C@H](C)C(=O)N(C)[C@H]1CN(c2ccncc2C#N)C[C@@H]1O 1111171110 QVCSXEWXEIVYNQ-SWHYSGLUSA-N 304.350 -0.004 30 20 DBED Cc1nocc1C(=O)N(CCO)CCN=c1cc[nH]c(C#N)n1 1111559768 ITQJJQLUYNPTBQ-UHFFFAOYSA-N 316.321 -0.387 30 20 DBED N#Cc1cnc(N2CCC[C@@H](NC(=O)CNC(N)=O)CC2)cn1 1111966716 WXRUDPQXYNQXTN-SNVBAGLBSA-N 317.353 -0.508 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(c2ccc(C)nn2)C[C@@H]1O 1112702306 QCNYQIWUXNJWJA-OLZOCXBDSA-N 306.366 -0.099 30 20 DBED C#CCNC(=O)CC(=O)N1CCN(Cc2cn(CC)nn2)CC1 1112778045 YGJGECRQYSGCMZ-UHFFFAOYSA-N 318.381 -0.918 30 20 DBED CC(=O)NCC(=O)N1CCC[C@@H]1CN(C)c1ccnc(C#N)n1 1112778436 LFNDVMUHKQYKLN-GFCCVEGCSA-N 316.365 -0.088 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)c2cc3n(n2)CCC3)CC1 1112929675 HXDCTGCROAGBRF-UHFFFAOYSA-N 317.393 -0.111 30 20 DBED C[C@H](CNC(=O)CCNC(N)=O)N(C)c1ccncc1C#N 1113609907 YBVMGMZIVOZVAC-SNVBAGLBSA-N 304.354 -0.047 30 20 DBED COC[C@@H](OC)C(=O)NC[C@H](C)N(C)c1cnc(C#N)cn1 1113857567 MCCNWSWCEILKKB-CMPLNLGQSA-N 307.354 -0.049 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)c3cnsn3)[C@@H]2C1 1113925852 STMAEHZZPIKZEY-IVZWLZJFSA-N 321.406 -0.111 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)Cc3ccon3)[C@H]2C1 1114094079 YJTPIOHHOGCIPE-MUYACECFSA-N 316.361 -0.599 30 20 DBED N#Cc1ccc(N2C[C@H]3CC[C@H]2CN3C(=O)CNC(N)=O)cn1 1114380914 QHWIDVNWSOUXQQ-QWHCGFSZSA-N 314.349 -0.199 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)C(C)(C)N(C)CC)[C@H]2C1 1114488363 LXJIMNXVYWXKCO-NHAGDIPZSA-N 320.437 -0.488 30 20 DBED C[C@H](C#N)C(=O)NCC1[C@@H]2CN(c3nccn4nnnc34)C[C@@H]12 1114525931 SOPHHJQPPJWAMK-MIMYLULJSA-N 312.337 -0.523 30 20 DBED N#CCN1C[C@H]2C(NC(=O)CC(=O)NCC(F)(F)F)[C@@H]2C1 1115046611 OZLVTPOYBDZYAJ-HTQZYQBOSA-N 304.272 -0.375 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)NCC2CCN(C3CC3)CC2)CCO1 1117617278 XGEVKKLRLGWRSQ-AWEZNQCLSA-N 320.393 -0.272 30 20 DBED N#Cc1cccnc1N[C@@H](CO)CNC(=O)CNC(=O)C1CC1 1121100598 VOYNFSIZMMSTHG-GFCCVEGCSA-N 317.349 -0.632 30 20 DBED Cc1nc(C)c(C(=O)NC[C@H](CO)N=c2cc[nH]c(C#N)n2)o1 1121250570 PIATZWSTRYJYGQ-SNVBAGLBSA-N 316.321 -0.422 30 20 DBED Cc1cc(C#N)nc(N[C@@H](CO)CNC(=O)c2cocn2)n1 1121332287 OFLUHBNUQSKBOE-SNVBAGLBSA-N 302.294 -0.153 30 20 DBED Cc1nonc1CC(=O)NC[C@@H](CO)Nc1ccc(C#N)nc1 1121955933 DPDQCPBEQCVKNQ-LBPRGKRZSA-N 316.321 -0.224 30 20 DBED Cc1conc1C(=O)NC[C@@H](CO)Nc1cncc(C#N)n1 1121976755 HIVDMBRCCNCDRN-JTQLQIEISA-N 302.294 -0.153 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)C[C@@H]2CCNC2=O)cn1 1122192363 YGZVDFLPFMKNLB-GXFFZTMASA-N 317.349 -0.632 30 20 DBED Cc1cc(=N[C@@H](CO)CNC(=O)CC(=O)N(C)C)c(C#N)c[nH]1 1122637831 XOTMHYQTENGHKN-GFCCVEGCSA-N 319.365 -0.949 30 20 DBED Cc1nc(N[C@@H](CO)CNC(=O)c2cnn[nH]2)ccc1C#N 1122880616 UTJAUJPMFRMFQO-SNVBAGLBSA-N 301.310 -0.417 30 20 DBED N#Cc1cncc(N2CC[C@]3(NC(=O)CC(N)=O)CCC[C@H]23)n1 1123394497 PSGSMDRORNXYAR-XHDPSFHLSA-N 314.349 -0.159 30 20 DBED CC(=O)N(C)CC(=O)N(C)C[C@H](O)CNc1ccc(C#N)nn1 1124112667 ZMPOBRBLBRCYLP-GFCCVEGCSA-N 320.353 -0.942 30 20 DBED CN(C[C@H](O)CNc1cnc(C#N)cn1)C(=O)c1cccnn1 1124460400 MSBYVACWYUYSAM-LLVKDONJSA-N 313.321 -0.317 30 20 DBED C#CCOCCC(=O)N(C)C[C@H](O)CNc1cnc(F)cn1 1124520561 VCCMQMQUSSMOGZ-LLVKDONJSA-N 310.329 -0.113 30 20 DBED CN(C[C@H](O)CN(C)c1ccc(C#N)cn1)C(=O)c1cnn[nH]1 1125374208 NRVFVIVITZWYBX-LLVKDONJSA-N 315.337 -0.359 30 20 DBED C#CCNC(=O)CC(=O)NCCNCC(=O)NC1CCCCC1 1125978329 OBTXBCJHRWNIGD-UHFFFAOYSA-N 322.409 -0.719 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)c1coc(C)n1 1126175325 PWNHJBKIJZZQJH-UHFFFAOYSA-N 309.326 -0.686 30 20 DBED C=CCOCC(=O)N[C@H]1CCc2nnc(CNCCO)n2CC1 1127958601 HKVILARAOHGOCX-LBPRGKRZSA-N 323.397 -0.616 30 20 DBED Cc1nc(CC(=O)NCc2cnn3c2CN(CC#N)CC3)n[nH]1 1128350722 HPCIYPIOJFWUMQ-UHFFFAOYSA-N 314.353 -0.492 30 20 DBED CNC(=O)NCC(=O)NCCNCc1ccc(C#N)c(F)c1 1128789875 NNGFQNUBXWZKMT-UHFFFAOYSA-N 307.329 -0.168 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1snnc1C1CC1 1129937267 OZOUHTDVSFXOKH-UHFFFAOYSA-N 308.367 -0.625 30 20 DBED C#CCCCCC(=O)N1CCC(=O)NCCN(CC(N)=O)CC1 1131351186 BYYGJOXBRRJNMO-UHFFFAOYSA-N 322.409 -0.684 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2ccncn2)CC[C@@H]1C 1132372327 PXIVUUBXDZOFLH-STQMWFEESA-N 315.377 -0.191 30 20 DBED C[C@@H]1CCN(C(=O)CN2CCCNC2=O)C[C@H]1CNCC#N 1132950786 QRCZSTDFPVVDQQ-CHWSQXEVSA-N 307.398 -0.001 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1C[C@H]1C(=O)N(C)C 1133928821 JNFCLFLZWQVZTQ-GRYCIOLGSA-N 310.398 -0.893 30 20 DBED C=CCC[C@@H](C)NCCNC(=O)Cn1ncn2nccc2c1=O 1134674092 VEGMVEWWICFRPL-GFCCVEGCSA-N 318.381 -0.049 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)Cn1nnnc1C(C)C 1135004311 FTKYQXJJVWSJAL-LLVKDONJSA-N 323.401 -0.807 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)CCCCC(N)=O 1135889964 CFVRZVZYPIQQTE-OLZOCXBDSA-N 324.425 -0.346 30 20 DBED C=CCN[C@H](C)C[C@@H](C)NC(=O)CNC(=O)Cn1cncn1 1146581848 CXKSZJBQBQMTOB-VXGBXAGGSA-N 308.386 -0.547 30 20 DBED COCC#CCN1CCC2(C1)CN(C(=O)CN(C)C(C)=O)C2 1147034560 NZGPCCGLLFPKBO-UHFFFAOYSA-N 307.394 -0.351 30 20 DBED N#CCNC(=O)CN1CCC2(C1)CN(C(=O)[C@H]1CCOC1)C2 1147130645 CNMJSYZXSWZTRF-LBPRGKRZSA-N 306.366 -0.803 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)C[C@@H]2CCN(C)C2)C1=O 1147885294 LNNNDEWVRRCTRW-KBPBESRZSA-N 308.426 -0.179 30 20 DBED C=CCNC(=O)CN1CCC2(C1)CN(C(=O)c1cccnn1)C2 1148477181 LUJWCAPQHKYQQB-UHFFFAOYSA-N 315.377 -0.073 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCCO[C@@H](CNC(=O)C(F)F)C1 1149038477 LZNWPMHZLRNHCD-MNOVXSKESA-N 317.336 -0.404 30 20 DBED CC#CCN1CCCO[C@H](CNC(=O)C(=O)NCC(F)F)C1 1149930072 GSLJBQJJPURLRR-LLVKDONJSA-N 317.336 -0.402 30 20 DBED N#CCOc1ccc(CNCCNC(=O)CCNC(N)=O)cc1 1150415128 UTWDCHFTUFGWRT-UHFFFAOYSA-N 319.365 -0.147 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1ccc(N(C)C)c(F)c1 1152516115 GRZNRKURUJVZKW-UHFFFAOYSA-N 320.368 -0.040 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)Cc1cn(C)nc1C 1160062011 NMPCCRZUYKHANU-ZDUSSCGKSA-N 319.409 -0.495 30 20 DBED COCC#CCNCCCC[C@@H](C)NC(=O)Cn1ncnn1 1170804751 HLKUCJLVIPFSMI-CYBMUJFWSA-N 308.386 -0.413 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@@H]1CCCC(=O)N1C 1174942954 JHOVXNDSGHZRNC-LBPRGKRZSA-N 310.398 -0.605 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)CNC(=O)C1CCC1 1176916845 VWTYEIXBFFXBRC-GFCCVEGCSA-N 322.409 -0.864 30 20 DBED CNS(=O)(=O)CC(=O)N1C[C@H]2CC[C@H]1[C@H](CNCC#N)C2 1177947459 VDWMWKQCJAZVMS-SRVKXCTJSA-N 314.411 -0.724 30 20 DBED CNC(=O)NC(=O)[C@H](C)N[C@H]1CCN(C(=O)C#CC2CC2)[C@H]1C 1178671946 SDSFNCPWGKFLPJ-GVXVVHGQSA-N 320.393 -0.177 30 20 DBED C[C@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)CCc1ccon1 1179141759 LXIRSDVBRIGYMJ-AAEUAGOBSA-N 319.365 -0.174 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)c2cnc(O)n2C)[C@H]1C 1179304074 RYWXTDLFJFIDBN-QWRGUYRKSA-N 321.381 -0.380 30 20 DBED C=C(C)CN(CC)C(=O)[C@H](C)N[C@H]1CCN(C(=O)C(N)=O)[C@H]1C 1179452706 WXJGYZURZLLQNI-AVGNSLFASA-N 324.425 -0.136 30 20 DBED COCC#CCN[C@H]1CCN(C(=O)[C@H](C)N2CCOCC2)[C@H]1C 1180315996 ARXDHMPXHHIEAF-JYJNAYRXSA-N 323.437 -0.064 30 20 DBED C#CCNC(=O)CNC[C@]1(C)CN(C(=O)c2cn[nH]c2)C[C@H]1C 1180689662 XLDLXSGAXRGXMY-MLGOLLRUSA-N 317.393 -0.153 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)Cn2cccn2)C1 1180959415 WVHSQPLBVWOWPS-CHWSQXEVSA-N 305.382 -0.236 30 20 DBED C=CCNC(=O)[C@@H](C)NC[C@]1(C)CN(C(=O)CC(N)=O)C[C@H]1C 1180960415 MAPXEYKDIMPFPJ-XHBSWPGZSA-N 324.425 -0.373 30 20 DBED Cc1ccc(C(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)cn1 1180979944 XVLNZBFDQROXNM-CYBMUJFWSA-N 301.350 -0.166 30 20 DBED C#CCNC(=O)CNC[C@H]1CCN(C(=O)c2cc[nH]n2)C[C@H]1C 1183898946 NVQFFAAGOUNZCF-CHWSQXEVSA-N 317.393 -0.153 30 20 DBED C#CCNC[C@H]1CCN(C(=O)CCn2ncn(C)c2=O)C[C@@H]1C 1184873179 QXUFNLOMVOVYIG-UONOGXRCSA-N 319.409 -0.321 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2nc(C)c[nH]2)C1 1186213406 GJZAQGLRNIAJBX-NWDGAFQWSA-N 303.366 -0.340 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)CN2CCCC2)C1 1187842908 RTPPAGTXRIQRCE-UONOGXRCSA-N 306.410 -0.589 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2ncoc2C)C1 1189152371 XOUDINUHHUUTPO-LBPRGKRZSA-N 304.350 -0.121 30 20 DBED CCN(CCC#N)C(=O)CN1C[C@@H](O)[C@H](NC(=O)C(F)F)C1 1190581032 QOSPJRIKQSNYNP-NXEZZACHSA-N 318.324 -0.825 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)CC2CCCCC2)C1 1190794110 BUVLFOWOSBUBJX-HUUCEWRRSA-N 321.421 -0.133 30 20 DBED CCSCCC(=O)N[C@@H]1CN(CC#CCOC)C[C@H]1O 1191339590 XTJSWTKCVAAAHR-CHWSQXEVSA-N 300.424 -0.059 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)/C=C/C2CC2)C1 1192069960 IXYIFYSLGITKHK-KEQXITEKSA-N 307.394 -0.195 30 20 DBED COCC[C@H](C)C(=O)N1CC[C@H](N(C)CC(=O)NCC#N)C1 1194143928 FGGFBKVQEBUXCQ-STQMWFEESA-N 310.398 -0.169 30 20 DBED Cn1cc(C(=O)N2CCCN(CC(=O)NCC#N)CC2)cn1 1194778913 SJYMUSYDHFUYPC-UHFFFAOYSA-N 304.354 -0.792 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)CCCCN2CCOCC2)C1 1196933022 OQMPJOXBGZMUFD-HUUCEWRRSA-N 311.426 -0.164 30 20 DBED CN1CC[C@@H](CC(=O)N2CCCN(CC(=O)NCC#N)CC2)C1 1197832016 GZGCNHKIYVFHJN-AWEZNQCLSA-N 321.425 -0.498 30 20 DBED C#CCCNC[C@H]1CN(C(=O)[C@@H]2CCNC(=O)C2)CCCO1 1200238487 MVQUBPRXCLXRIU-KGLIPLIRSA-N 307.394 -0.257 30 20 DBED C#CCCNC[C@H]1CN(C(=O)CCn2ccnn2)CCCO1 1200359771 IJGUBCUMTHBUIO-AWEZNQCLSA-N 305.382 -0.101 30 20 DBED C=CCOCCNC[C@H]1CN(C(=O)c2cnnn2C)CCCO1 1200397770 VWVQVORXLILCPO-ZDUSSCGKSA-N 323.397 -0.162 30 20 DBED C#CCNC(=O)[C@H](C)NCC1CCN(C(=O)[C@H](C)OC)CC1 1204649353 AQSPCZMHRVBKMV-STQMWFEESA-N 309.410 -0.013 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@@H](NCC#CCOC)C1 1207869835 MAOADQMXXBQUBU-CQSZACIVSA-N 305.378 -0.644 30 20 DBED CCn1cc(C(=O)N2CCC[C@H](NCC(=O)NCC#N)C2)nn1 1210386863 ACXJLMAACFRMOQ-NSHDSACASA-N 319.369 -0.868 30 20 DBED CO[C@@H]1CN(CC(=O)N2CCCC2)C[C@H]1NC(=O)[C@H](C)C#N 1212038929 BAATUNGQKDBPOR-JHJVBQTASA-N 308.382 -0.416 30 20 DBED COCC#CCN1C[C@@H](NC(=O)c2cncnc2O)[C@H](OC)C1 1212446152 IKXRJGVALISDGT-CHWSQXEVSA-N 320.349 -0.739 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](NCc2nncs2)[C@H](C)C1 1214473634 NGKAXRCGEBFDPY-GHMZBOCLSA-N 321.406 -0.386 30 20 DBED C#CCOCCC(=O)N1C[C@@H](NCC(=O)NC(C)C)[C@H](C)C1 1214608842 MWZTYOMPAYQGRY-ZIAGYGMSSA-N 309.410 -0.013 30 20 DBED Cc1ncc(CC(=O)N2C[C@@H](NCC(=O)NCC#N)[C@H](C)C2)o1 1214843665 QMEKHFAMEUEKAO-ZWNOBZJWSA-N 319.365 -0.398 30 20 DBED C=CCOCC(=O)N1CCO[C@@H]2CN(C[C@H](O)COC)C[C@@H]21 1217533532 WVCAELJCYOMKLK-MELADBBJSA-N 314.382 -0.892 30 20 DBED CCn1ncnc1CN1C[C@H](O)[C@H](NC(=O)CSCC#N)C1 1219219704 JHKPBHMSMILZCJ-MNOVXSKESA-N 324.410 -0.784 30 20 DBED C=CCOCCCC(=O)N[C@@H]1CN(Cc2cnn(C)n2)C[C@@H]1O 1219424501 MNNOITJERFMGOA-KGLIPLIRSA-N 323.397 -0.541 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(Cc2nnc(C)o2)C[C@@H]1O 1219527038 HJMUNFPTXXBIGB-SUNKGSAMSA-N 310.354 -0.634 30 20 DBED CCN(C(=O)CN1C[C@H](O)[C@H](NC(=O)C#CC(C)C)C1)C1CC1 1219589214 UFRAFWGBKKUTLT-CABCVRRESA-N 321.421 -0.182 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)[C@]2(C)CCC(=O)N2)CC1 1229108905 FLRGYKLIOOOIQB-INIZCTEOSA-N 322.409 -0.462 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)C[C@H]1COC(=O)C1 1233653438 LMSFCFSLFMBZNG-CHWSQXEVSA-N 321.377 -0.778 30 20 DBED C=C[C@@](C)(O)CC(=O)N(C)C[C@@H]1CCN1CCS(C)(=O)=O 1233977762 ORAFSOXPQXYLRK-GXTWGEPZSA-N 318.439 -0.109 30 20 DBED CC(C)OCCNC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1261925346 QLLCXZGFEZQYOW-ZDUSSCGKSA-N 308.382 -0.274 30 20 DBED C=C(C)COCCNC(=O)C(=O)NCCO[C@@H]1CCOC1 1262283332 LOLCMIVKCDUREE-GFCCVEGCSA-N 300.355 -0.383 30 20 DBED C=CCNC(=O)CNC[C@H]1CCCN1C(=O)CN1CCOCC1 1270195619 JDXUUIZWNICKPY-CQSZACIVSA-N 324.425 -0.799 30 20 DBED C#CCCCCNC(=O)C(=O)N[C@H]1CCc2nc(C)nn2C1 1322669532 DCSNJZBRNVDAKT-LBPRGKRZSA-N 303.366 -0.063 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)NCC[C@H]2CCCCO2)C1 1326098170 UBURWZFBRWHSJU-DOMZBBRYSA-N 309.366 -0.061 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)NCC1(CC(N)=O)CC1 1328144475 LWFMDJQMXTXLED-UHFFFAOYSA-N 309.366 -0.744 30 20 DBED C[C@H]1CC(=O)NCCN1C(=O)C(=O)N1CCC[C@H](CC#N)C1 1328181238 NYUSBCXRZSOSKG-NWDGAFQWSA-N 306.366 -0.124 30 20 DBED C=CCOCCNC(=O)C(=O)N1CCC[C@@H](Cn2ccnn2)C1 1329384959 BAENAHSPVUBYNX-CYBMUJFWSA-N 321.381 -0.165 30 20 DBED N#C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H](N3CCOC3=O)C2)C1 1335641774 MZBZIDQTQOJPLB-RYUDHWBXSA-N 320.349 -0.198 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@@]2(C)CC(C)=NO2)CC1 1335894433 SXKZMXXSFNEWRE-OAHLLOKOSA-N 306.366 -0.565 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCC[C@H](c2nccn2C)C1 1342446479 QZXIOELPSXTOMS-ZDUSSCGKSA-N 318.377 -0.108 30 20 DBED C[C@H](C#N)CN(C)c1nnc(CC[C@@]2(C)NC(=O)NC2=O)n1C 1345197695 LOUSJEGUCARRSK-YMTOWFKASA-N 319.369 -0.058 30 20 DBED CN(C[C@H](O)C1CC1)C(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1348619514 YDRMJXAUEJDXJP-KGLIPLIRSA-N 320.393 -0.586 30 20 DBED Cc1ccc(CCNC(=O)Cn2cc(C#N)c(O)nc2=O)nc1 1362810675 GVYAAWQHBNYWCI-UHFFFAOYSA-N 313.317 -0.117 30 20 DBED CCN(CCC#N)C(=O)CNC[C@H]1CCCN1C(=O)COC 1378494247 IVBVNHLHQBZNLQ-CYBMUJFWSA-N 310.398 -0.024 30 20 DBED C[C@@H](CN(C)C(=O)Cn1cncn1)NC(=O)c1cc(C#N)c[nH]1 1382240704 CKILVNFOUVCRIB-JTQLQIEISA-N 315.337 -0.245 30 20 DBED C[C@H](C#N)C(=O)N(C)CC1CCN(C(=O)[C@H]2COC(=O)N2)CC1 1388906264 LOIUVPMMPCYRMG-ZYHUDNBSSA-N 322.365 -0.049 30 20 DBED CC(=O)NC1(C(=O)NC[C@H](O)CNC(=O)[C@@H](C)C#N)CCCC1 1389091965 DFXHNQWGLPWIAR-CMPLNLGQSA-N 324.381 -0.812 30 20 DBED CC(=O)NCC(=O)NC[C@H](C)CNC(=O)c1c[nH]c(C#N)c1 1391144553 LBNNIAJENJTTSU-VIFPVBQESA-N 305.338 -0.495 30 20 DBED C[C@@H](C#N)C(=O)NCC(C)(C)CN(C)C(=O)CCNC(N)=O 1395009888 VUXOFQROIFHSBZ-JTQLQIEISA-N 311.386 -0.195 30 20 DBED CC(=O)N1CC(C(=O)N2CCC(NC(=O)[C@H](C)C#N)CC2)C1 1407275705 FATKVYZNECBWIE-SNVBAGLBSA-N 306.366 -0.268 30 20 DBED C[C@H](CNC(=O)c1ccnc2c1nnn2C)NC(=O)[C@H](C)C#N 1415262199 NQJFGBWXXHGTOR-RKDXNWHRSA-N 315.337 -0.243 30 20 DBED CCN(CCC#N)C(=O)CNC[C@@H](C)NC(=O)c1cncn1C 1420308282 IXPMKNZUCGYWQM-GFCCVEGCSA-N 320.397 -0.110 30 20 DBED CC[C@@H](C)NC(=O)CNC[C@@H](O)CNC(=O)c1cc(C#N)c[nH]1 1422291418 WLZNRBVHWLWIDA-ZYHUDNBSSA-N 321.381 -0.519 30 20 DBED CC(=O)NCC(=O)N[C@@H]1C[C@H](C)N(C(=O)c2cc(C#N)c[nH]2)C1 1425596043 SMCBAMNRVHSFDM-JOYOIKCWSA-N 317.349 -0.258 30 20 DBED C[C@@H](Cc1cccnc1)NC(=O)Cn1cc(C#N)c(O)nc1=O 1434412472 YUVXDDNCCREVQU-JTQLQIEISA-N 313.317 -0.037 30 20 DBED Cn1c(=O)[nH]c(N2CCOCC3(CCOCC3)C2)c(C#N)c1=O 1434446749 PRLTUSFXFZZWSK-UHFFFAOYSA-N 320.349 -0.421 30 20 DBED Cn1cc(C#N)c(NC(=O)N2CCN(Cc3nc[nH]n3)CC2)n1 1434708973 RLKRYPUTYMZQQM-UHFFFAOYSA-N 315.341 -0.240 30 20 DBED CN(CCNC(=O)CO[C@H]1CCOC1)c1ccnc(C#N)n1 1439247875 VYTJYYXREKFXQY-NSHDSACASA-N 305.338 -0.294 30 20 DBED Cn1nnnc1CN[C@H](CNC(=O)c1cc(C#N)c[nH]1)C1CC1 1441181016 COJWOKUVWFQVBR-GFCCVEGCSA-N 314.353 -0.292 30 20 DBED N#Cc1cn(CC(=O)N2CCOCC23CCCC3)c(=O)nc1O 1447284286 GQDRIHHXKWIKND-UHFFFAOYSA-N 318.333 -0.008 30 20 DBED N#C[C@@H]1CN(C(=O)CCCS(N)(=O)=O)CCN1C1CC1 1454759246 MBPRGDJRRSTBKI-LLVKDONJSA-N 300.384 -0.746 30 20 DBED C#CCNC(=O)CN1CCC[C@@H](NC(=O)C2CCC(O)CC2)C1 1479902639 VOGSWNWQDNBLBU-SHARSMKWSA-N 321.421 -0.133 30 20 DBED C[C@H](C#N)C(=O)NC1(CN[C@H](C)C(=O)NC(N)=O)CCCC1 1481892206 OVFSVVQYQRZBQC-NXEZZACHSA-N 309.370 -0.252 30 20 DBED C#CCNC(=O)CNC[C@H]1CCCN1C(=O)c1cnn(CC)n1 1483928292 BWKHPVOYQKYFSL-GFCCVEGCSA-N 318.381 -0.758 30 20 DBED CCN1C[C@H](C(=O)NCCN(CC)C(=O)[C@@H](C)C#N)CC1=O 1496787415 WFKVHOQWVIQDJV-NWDGAFQWSA-N 308.382 -0.021 30 20 DBED CNC(=O)CN[C@@H](C)[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCO1 1506829917 BETQJVGQSZCZJH-GWCFXTLKSA-N 319.365 -0.549 30 20 DBED CNC(=O)NCC(=O)NC[C@H]1CCCCCN1C(=O)[C@H](C)C#N 1509356111 IIGOYCNDZMQWKH-VXGBXAGGSA-N 323.397 -0.038 30 20 DBED C[C@H](C#N)C(=O)N1CCN(CCNC(=O)c2cnns2)CC1 1524067150 FUQFFABPLVTRGG-SNVBAGLBSA-N 322.394 -0.428 30 20 DBED COc1coc(C(=O)N2CC(CNC(=O)[C@H](C)C#N)C2)cc1=O 1530879542 BIUKIXALHBWTTP-SECBINFHSA-N 319.317 -0.004 30 20 DBED C#Cc1cncc(C(=O)N2CCN[C@H]3CS(=O)(=O)C[C@H]32)c1 1574765580 FQLAXVASJUNOFX-QWHCGFSZSA-N 305.359 -0.726 30 20 DBED C#C[C@@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)OC(C)(C)C 1588370960 RMTSXWHYJKIXHN-IUCAKERBSA-N 300.311 -0.535 30 20 DBED C=CCN1C(=O)C(=O)N(Cc2cc(-c3nn[nH]n3)ccn2)C1=O 1588654553 JPXPACBVIFYAMN-UHFFFAOYSA-N 313.277 -0.262 30 20 DBED CC#CCCCC(=O)NC[C@@H](CO)N=c1cc[nH]c(C(=O)O)n1 1588924758 DOICUTJMECJJAG-NSHDSACASA-N 320.349 -0.321 30 20 DBED C[C@@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)NO 1589975942 NAZDZRHFAGKONU-ZCFIWIBFSA-N 312.311 -0.961 30 20 DBED CNC(=O)CCCN(C)c1cnc(-c2nn[nH]n2)c(C#N)n1 1591206968 POWTWQAGNYGZIP-UHFFFAOYSA-N 301.314 -0.509 30 20 DBED COCCO[C@H]1CCN(c2cnc(C#N)c(-c3nn[nH]n3)n2)C1 1591433540 IGKDXSGOTZJUOL-VIFPVBQESA-N 316.325 -0.230 30 20 DBED C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)N1CCC(C#N)(C(=O)O)CC1 1593426965 UUOYNKWRRYEHTR-ONGXEEELSA-N 323.349 -0.521 30 20 DBED CN1C[C@@H](C(=O)O)N(S(=O)(=O)c2cccc(C#N)c2)CC1=O 1598565334 DFDQXRLYRJIVAB-NSHDSACASA-N 323.330 -0.526 30 20 DBED COC[C@@](C)(CC(=O)O)NS(=O)(=O)N(C)C[C@H](C)C#N 1599150523 QIXZDCHMRYNELQ-MWLCHTKSSA-N 307.372 -0.208 30 20 DBED Cn1ncc(C#N)c1N1CCN([C@]2(C(=O)O)CCOC2)CC1 1601020002 XPPFIIRCKGLWEY-CQSZACIVSA-N 305.338 -0.343 30 20 DBED N#Cc1ccc(S(=O)(=O)N2CCOC[C@H]2CC(=O)O)nc1 1601112117 NZTSNLOTGOHBGK-SNVBAGLBSA-N 311.319 -0.183 30 20 DBED N#CCCNC(=O)COC(=O)c1ccnc(-c2nn[nH]n2)c1 1606349766 XVMHXORJUBQSBA-UHFFFAOYSA-N 301.266 -0.552 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@@H](NC(=O)C2(N(C)C)CCC2)C1 1713971950 LHTZPEQNBPDZRG-ZIAGYGMSSA-N 320.437 -0.201 30 20 DBED CCn1ccc(CC(=O)NCCN2CCN(CC#N)CC2)n1 1752365968 NCGVAQIHLICXML-UHFFFAOYSA-N 304.398 -0.297 30 20 DBED C#CCNCCNC(=O)[C@@H]1CCCN(C(=O)c2cncnc2)C1 1752925223 VWLLPNXSGIUHEQ-CYBMUJFWSA-N 315.377 -0.332 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@@H]1CCCN(C(=O)CCN(C)C)C1 1752995926 FEJAUOAMEJIGKP-HUUCEWRRSA-N 322.453 -0.001 30 20 DBED C=CCNC(=O)NC(=O)CN(C)CCNC(=O)c1coc(C)n1 1753047479 JUPBNPPUCPDFQR-UHFFFAOYSA-N 323.353 -0.344 30 20 DBED CC(C)c1nn(C)cc1C(=O)N(C)CCNCC(=O)NCC#N 1753260883 ZXFULDLTKDBDEK-UHFFFAOYSA-N 320.397 -0.155 30 20 DBED C=CCN1CCN(CCN(C)C(=O)C[C@H]2CCNC2=O)CC1 1753341719 CWTADIQNURXOTI-CQSZACIVSA-N 308.426 -0.225 30 20 DBED C#CCOCCC(=O)NCC1CN(CC(=O)N2CCCC2)C1 1753403075 LXIXNRDNVCFJBN-UHFFFAOYSA-N 307.394 -0.303 30 20 DBED C=CCCCN1CC[C@@H](N(C)C(=O)CNC(=O)CNC(C)=O)C1 1753439585 OWMNBRBTIYZWNS-CQSZACIVSA-N 324.425 -0.262 30 20 DBED C#CCNC(=O)CNC[C@@H](C)CNC(=O)[C@H]1CCCCN1C 1753621851 SZWOQFVBKYZMMG-ZIAGYGMSSA-N 308.426 -0.438 30 20 DBED O=C(NC[C@H](O)CNCC#Cc1ccc(F)cc1)c1nc[nH]n1 1753931125 PRXNXTOQFHHUFK-CYBMUJFWSA-N 317.324 -0.324 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](O)CNCc1ccn(C)n1 1753931522 VFCZTQUBEXEPRF-KKUMJFAQSA-N 322.409 -0.032 30 20 DBED CCN(CCNCC#CCOC)C(=O)[C@@]1(C)CCNC(=O)C1 1754051817 POLHUBVHKXRLEQ-INIZCTEOSA-N 309.410 -0.009 30 20 DBED C=CCN1CC[C@H](NCCCN(C)C(=O)c2cnnn2C)C1=O 1754368851 VNVFROWHURISRG-LBPRGKRZSA-N 320.397 -0.346 30 20 DBED C#CCCN1CC[C@](O)(CNC(=O)[C@H]2COCCN2CC)C1 1754752296 FSEJBPVVKHUSSP-ZBFHGGJFSA-N 309.410 -0.717 30 20 DBED CC1(C(=O)N2CCO[C@H](CNCC(=O)NCC#N)C2)CC=CC1 1755008880 UQVKTTCXSNPBQX-CYBMUJFWSA-N 320.393 -0.201 30 20 DBED C#CCCCC(=O)N[C@@H]1COC2(C1)CN(Cc1nnn(C)n1)C2 1755059956 WEUBILVNIZWRLR-LBPRGKRZSA-N 318.381 -0.527 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)Cc2cnn(C)c2)C[C@@H]1C 1755104499 FLLFDVDPVAOYIO-GXTWGEPZSA-N 319.409 -0.299 30 20 DBED CC#CCN1CC[C@H](NC(=O)CN(C)S(C)(=O)=O)C[C@@H]1C 1755161148 JNIADJASFIGYJJ-STQMWFEESA-N 315.439 -0.130 30 20 DBED C#CCN1CC[C@H](NC(=O)CN(C)S(C)(=O)=O)C[C@H]1C 1755162734 YPPOKZQTXDCUQH-NEPJUHHUSA-N 301.412 -0.520 30 20 DBED N#CCNC(=O)CN1CCCC2(C1)CN(C(=O)c1cn[nH]c1)C2 1755454582 JIUCVWFNJJKFAQ-UHFFFAOYSA-N 316.365 -0.413 30 20 DBED CCn1cc(CC(=O)NC[C@@H](CO)NCC#CCOC)cn1 1755644197 ZLOQUHZGAIUMSD-AWEZNQCLSA-N 308.382 -0.838 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(CCO)(NC(=O)[C@H]2CC23CC3)C1 1756089152 YDPIOZIBWUSLGP-CHWSQXEVSA-N 320.389 -0.096 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC([C@@H](C)NC(=O)Cn2cncn2)C1 1756161928 YLPYRBUVPCLSPT-NEPJUHHUSA-N 319.365 -0.721 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@H](CO)NC(=O)c1cc(C)on1 1756515924 RMQUIBHTWDSFPV-QMTHXVAHSA-N 311.338 -0.483 30 20 DBED C=CCCC(=O)NC[C@@H](CO)NC(=O)c1cc(C(N)=O)ccn1 1756516825 FAHKVDLTQVDOSX-NSHDSACASA-N 320.349 -0.646 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](CO)CNC(=O)C#CC1CC1 1756519495 IWHZYOCRCWVMOZ-DZKIICNBSA-N 320.389 -0.026 30 20 DBED CC#CCCCC(=O)N[C@@H](CO)CNC(=O)Cn1cncc1C 1756535582 HOSSHNBXOTWLSW-CQSZACIVSA-N 320.393 -0.022 30 20 DBED CC(C)C#CC(=O)N1CCC2(C1)CN(C(=O)[C@@H]1CNC(=O)N1)C2 1756835274 ANHYNBJPZOXWCE-LBPRGKRZSA-N 318.377 -0.612 30 20 DBED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3csnn3)C[C@@H]21 1790789624 GVLJZANIWAZQIG-NHCYSSNCSA-N 320.374 -0.235 30 20 DBED C=CCNC(=O)/C=C\C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN)C2 1792566328 QCEDYXAICZPKCZ-OCTHFLHNSA-N 320.393 -0.558 30 20 DBED C=CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnnn1C)C2 1800997686 XSUWRJJAKGYQJX-GNXNZQSNSA-N 319.365 -0.406 30 20 DBED CO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC#N)C2 1801039110 IMGDFTLFIGGWEQ-NRWUCQMLSA-N 309.366 -0.085 30 20 DBED C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H]1CCNC(=O)C1)C2 1801601795 XCWFUIWZVYEMNP-RVMXOQNASA-N 303.362 -0.216 30 20 DBED CC[C@H](NC)C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1843006379 OKJVGGVZOVGMCX-NSHDSACASA-N 307.350 -0.724 30 20 DBED N#Cc1ccccc1S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)O 21058517 LAPYEQRKGANERK-VIFPVBQESA-N 311.319 -0.445 30 20 DBED Cc1ccc(S(N)(=O)=O)cc1C(=O)n1ncc(C#N)c1N 60470715 WVGRMEKIQKWIKF-UHFFFAOYSA-N 305.319 -0.019 30 20 DBED Cc1nc(C(=O)NCCN2CCS(=O)(=O)CC2)ccc1C#N 75850053 ACWXTVXFYBKUFC-UHFFFAOYSA-N 322.390 -0.278 30 20 DBED CCN(CCC#N)[C@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O 81040428 LZGINCAYSFXNQQ-SECBINFHSA-N 307.354 -0.527 30 20 DBED CCOc1ccc(C#N)cc1NC(=O)C(=O)NCC(=O)NC 141492713 ZEFBDHJOVFTUCJ-UHFFFAOYSA-N 304.306 -0.242 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN[C@H](C)[C@@H]2C)C1=O 262732248 BTHNHSUVGGAJOA-ZJUUUORDSA-N 308.338 -0.828 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@H](COC)C2)C1=O 265929274 ABWGAOXACMXEII-JTQLQIEISA-N 309.322 -0.542 30 20 DBED C=CCNC(=O)CNC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C 271980377 MLXFVMGHRYXJFH-JTQLQIEISA-N 305.400 -0.631 30 20 DBED CC#CC[C@@H](NS(=O)(=O)c1cc(C(N)=O)n(C)c1)C(=O)O 274955267 GWCQDRXITDUCGP-SECBINFHSA-N 313.335 -0.731 30 20 DBED C#CCOc1cccc(NC(=O)C(=O)N(CCO)CCCO)c1 276032600 ZNNKCRQBWGBJMW-UHFFFAOYSA-N 320.345 -0.160 30 20 DBED N#Cc1ncccc1S(=O)(=O)NC[C@H]1CC[C@H](C(N)=O)O1 277127557 IYGZRTGTWYPDGL-PSASIEDQSA-N 310.335 -0.736 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N[C@@H]1C(=O)NCC[C@H]1C 282603603 GFYUWORISYVXDI-ZJUUUORDSA-N 303.384 -0.589 30 20 DBED COCCN(CC(=O)N(C)C)S(=O)(=O)c1ccc(C#N)o1 286729138 SSOPLQQZVQASLR-UHFFFAOYSA-N 315.351 -0.123 30 20 DBED CN1CC[C@@]2(CCN(c3c(C#N)c(=O)n(C)c(=O)n3C)C2)C1 292348497 QPYLIEGMMNKKQK-OAHLLOKOSA-N 303.366 -0.512 30 20 DBED C#CCNC(=O)CCN1CC[C@H](C(=O)OC)C[C@H]1C(=O)OC 294651979 QQIKJXUAFYBVKM-RYUDHWBXSA-N 310.350 -0.448 30 20 DBED COC[C@@H](C)N/C(N)=N/CCNS(=O)(=O)c1cccnc1 305183532 IAOIVCNHXWRBDH-SNVBAGLBSA-N 315.399 -0.701 30 20 DBED C[C@H](O)CN1CCN(/C(O)=N/C[C@H]2CN(C)CCN2C)CC1 329448980 OKVCOZRSXCGLLV-KBPBESRZSA-N 313.446 -0.855 30 20 DBED Cc1nc2c(cc1C(=O)NCC(=O)NCC#N)c(C)nn2C 344146925 FLYBGVCTHLYRLV-UHFFFAOYSA-N 300.322 -0.045 30 20 DBED COC(=O)Cn1cc(S(=O)(=O)NCC(C)(C)C#N)cn1 344967863 XSHZCNWXQVBTTF-UHFFFAOYSA-N 300.340 -0.116 30 20 DBED C[C@H](C#N)S(=O)(=O)N1CCN(CC(=O)NC2CC2)CC1 352407007 OMAUJNQZEYCUCS-SNVBAGLBSA-N 300.384 -0.876 30 20 DBED COCC[C@@H](NS(=O)(=O)N(C)[C@@H](C)CC#N)C(=O)OC 352586053 LVNKHRSIUAEBJV-VHSXEESVSA-N 307.372 -0.367 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccnn2CC)C1=O 354947774 ONTXXQGLSMOFNP-UHFFFAOYSA-N 305.294 -0.182 30 20 DBED CCCn1c(N)c(C(=O)Cn2ccnc2C#N)c(O)nc1=O 356164243 JIRAPIDFCDAEMB-UHFFFAOYSA-N 302.294 -0.108 30 20 DBED CC(C)n1cc(C#N)c(NC(=O)C(=O)NCCn2cccn2)n1 359135194 PSBVYFTVDUNKJK-UHFFFAOYSA-N 315.337 0.287 30 20 DBED CNS(=O)(=O)N1CCN(S(=O)(=O)CCCCC#N)CC1 408007870 JTRGZMTZTQWPJH-UHFFFAOYSA-N 324.428 -0.908 30 20 DBED CCN(CC)CC(=O)N1CCN(S(=O)(=O)[C@@H](C)C#N)CC1 416388761 NLNCFMFDIIWIPM-LBPRGKRZSA-N 316.427 -0.286 30 20 DBED Cc1cc(NC(=O)NC(CO)(CO)CO)c(C#N)cc1N(C)C 417167227 ZFSDPZMZVVPJQE-UHFFFAOYSA-N 322.365 -0.230 30 20 DBED CCCNS(=O)(=O)N(CCC#N)CCN1CCOCC1 489209693 SXZAYFXCPZXQJD-UHFFFAOYSA-N 304.416 -0.221 30 20 DBED C#CC(C)(C)NC(=O)CCc1nc2c(O)nc(=O)n(C)c2[nH]1 490671827 VEBQEWUZEFYLCH-UHFFFAOYSA-N 303.322 -0.177 30 20 DBED C#CCNC(=O)CCN1CCN([C@H](C)C(=O)N2CCCC2)CC1 491068579 PNWKAFWDVZSBBN-OAHLLOKOSA-N 320.437 -0.246 30 20 DBED CN(CCC#N)S(=O)(=O)NC[C@@](C)(CC(=O)O)C(=O)O 548595132 MGKAKAPHCDUHBI-SNVBAGLBSA-N 307.328 -0.768 30 20 DBED N#CCC1(CS(=O)(=O)NCCn2cc(C(=O)O)nn2)CC1 575063092 JRCMQZITGDHLEC-UHFFFAOYSA-N 313.339 -0.410 30 20 DBED C=CC[C@H](CO)CNC(=O)N[C@H]1CCN(S(C)(=O)=O)C1 579014735 FCRKOYPZXSGHOO-QWRGUYRKSA-N 305.400 -0.496 30 20 DBED N#Cc1ccc(N2CCC[C@H]2C(=O)N[C@@H](CO)C(N)=O)cc1 587313783 SRWFBEYIDBQMJD-STQMWFEESA-N 302.334 -0.511 30 20 DBED COC(=O)[C@H]1C[C@H](O)CN(C(=O)CNc2ccc(C#N)cn2)C1 592934791 DKNZYSDMIHOCAE-RYUDHWBXSA-N 318.333 -0.252 30 20 DBED C=C[C@H](O)C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)OC(C)(C)C 597781022 SUCRAIIYDQJHHV-UWVGGRQHSA-N 319.379 -0.499 30 20 DBED C#CCOc1ccc(NC(=O)C(=O)N2CCCNC(=O)C2)cc1 731129265 RSUZLHHHWHFBDS-UHFFFAOYSA-N 315.329 -0.014 30 20 DBED COCCN(CCC#N)C(=O)Cn1[nH]cc2c(=O)ncnc1-2 748320940 PTMSZXNJSIMWEQ-UHFFFAOYSA-N 304.310 -0.540 30 20 DBED C#C[C@H](NC(=O)NCCCN(C)S(C)(=O)=O)[C@@H]1CCCO1 773232534 TUMWVYSVFVISBD-RYUDHWBXSA-N 317.411 -0.252 30 20 DBED CCOC(=O)CON=C(C(=O)NCC1(O)CCC1)c1cc[nH]n1 789983205 HJAJMDOJGVMSDR-UHFFFAOYSA-N 324.337 -0.275 30 20 DBED C#CCC[C@H](O)CNC(=O)Nc1cnn(CC(=O)N(C)C)c1 799218708 JHAUQQWJQQPCIN-LBPRGKRZSA-N 307.354 -0.133 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)NCCN1C(=O)CSC1=O 800013114 VGHFKCWSFKJZJS-QMMMGPOBSA-N 320.396 -0.392 30 20 DBED CN(C)c1c(C=NN[C@@H]2CCCOC2)c(=O)n(C)c(=O)n1C 807983812 YLQLYMZIVRPEPY-SNVBAGLBSA-N 309.370 -0.748 30 20 DBED C#C[C@H](NC(=O)C(=O)NCC1([S@@](C)=O)CC1)[C@@H]1CCCO1 809313769 XLGRKEJGNOTHOX-ZPMVXHMNSA-N 312.391 -0.689 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)c2ccsn2)CC1 831579384 BGGGIWQMNYAAIJ-UHFFFAOYSA-N 314.392 -0.632 30 20 DBED N#C[C@H]1CNC[C@H]1NC(=O)CCNC(=O)OCC(F)(F)F 834500777 WXUJHQLUZLJSGO-JGVFFNPUSA-N 308.260 -0.107 30 20 DBED C#CCCCCNC(=O)c1nc(N)nc(N2CCOCC2)n1 845777441 VZLKUQBWJUWHKC-UHFFFAOYSA-N 304.354 -0.176 30 20 DBED C[C@H](OC(=O)[C@@H]1CCCS1(=O)=O)C(=O)N(C)CCC#N 848860373 IJTVBNKFWSGXTM-UWVGGRQHSA-N 302.352 -0.133 30 20 DBED CNC[C@@H](C)NC(=O)C(=O)NCc1ccc(OC)c(C#N)c1 851687213 ZUPCSOYDZBTCBB-SNVBAGLBSA-N 304.350 -0.093 30 20 DBED CCOCCS(=O)(=O)NCC(=O)N1CCC[C@@H](C#N)C1 928220202 FQWRKCJEFLEOMC-NSHDSACASA-N 303.384 -0.296 30 20 DBED Cn1nncc1C(=O)N[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 937889740 WEAJTRRBOWELJB-JTQLQIEISA-N 313.321 -0.341 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](N(C)C(=O)c2nnc(O)nc2O)C1 939398253 VNQIXZQSTXGHCK-SFYZADRCSA-N 320.309 -0.885 30 20 DBED Cc1[nH]nc(C(=O)NC[C@H]2CN(C(=O)[C@H](C)C#N)CCO2)c1O 944551922 YWAQDSYKRQVJBZ-SCZZXKLOSA-N 321.337 -0.459 30 20 DBED C[C@H](C#N)C(=O)N1CCC2(CC1)CN(C(=O)[C@@H]1CNC(=O)N1)C2 945029651 ABUDOXZZHXMNNR-MNOVXSKESA-N 319.365 -0.722 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CNC(=O)[C@@H]2CCNC2=O)CC1 949394545 VNSMXHCOPSAWFW-CMPLNLGQSA-N 306.366 -0.363 30 20 DBED COc1nn(C)cc1C(=O)NC[C@H]1CCN1C(=O)[C@@H](C)C#N 951456760 BKPZYNBERIGHDV-VHSXEESVSA-N 305.338 -0.081 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1cnon1 951762133 RESDLNJAUVGYBC-FOGDFJRCSA-N 306.322 -0.009 30 20 DBED CN(C(=O)c1cc(C#N)c[nH]1)C1CN(C(=O)CS(C)(=O)=O)C1 953990124 MVSNGZDPPZYLAD-UHFFFAOYSA-N 324.362 -0.786 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cn(C)nc2COC)C1 958183173 LZHWYLCWNKKTLI-SMDDNHRTSA-N 306.366 -0.778 30 20 DBED C=CCn1cc(C(=O)N2C[C@H]3[C@@H](C2)OCCN3C(=O)CC)nn1 959839291 LJIWOUBAQFMBTB-QWHCGFSZSA-N 319.365 -0.074 30 20 DBED C#CCCN1C[C@H]2C(NC(=O)[C@H]3CN4CC5CC4(CO3)C5)[C@@H]2C1 961283910 QPIRXNQUELIDLS-LIDHIPMTSA-N 315.417 -0.081 30 20 DBED N#CCN1C[C@H]2[C@H](NC(=O)c3ccc(-n4cncn4)nc3)[C@H]2C1 961438680 OKNOMFBNUNEJGA-IMRBUKKESA-N 309.333 -0.154 30 20 DBED CCn1nncc1C(=O)N1C[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2C1 961511852 YEJKZONJOYYLOS-SDDRHHMPSA-N 316.365 -0.012 30 20 DBED CC[C@H](F)C(=O)N1C[C@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 962118681 OBOBDUQCAGKGKE-WCQGTBRESA-N 308.313 -0.064 30 20 DBED C#CCCN1C[C@H]2C(NC(=O)Cn3c(C)cc(C)nc3=O)[C@@H]2C1 962161041 WLFSUICLGMCIHS-ZIAGYGMSSA-N 314.389 -0.070 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CN(C(=O)c3cnon3)CCO2)C1 965453172 OVPWHMVPMOCEKI-VIFPVBQESA-N 305.294 -0.717 30 20 DBED C=CCN1CC[C@H](C)[C@H](NC(=O)CN2CCC(=O)NC2=O)C1 968514928 ZXPWVNIFMWLFQM-NWDGAFQWSA-N 308.382 -0.059 30 20 DBED O=C1CC[C@@H](C(=O)N2C[C@@H]3CC[C@H](C2)N3C(=O)C#CC2CC2)N1 968991605 PCQXRVRIQNAEMA-MJBXVCDLSA-N 315.373 -0.120 30 20 DBED Cn1ncc(C(=O)N2CC[C@@H]3CN(C(=O)C#CC4CC4)[C@@H]3C2)n1 972083906 NRWGPMFEYZYDDX-TZMCWYRMSA-N 313.361 -0.099 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]1CN(C)C(=O)c1ccc(=O)n(C)n1 978424924 BXQJSWJIASYRQL-GHMZBOCLSA-N 317.349 -0.387 30 20 DBED C#CCN1C[C@H]2C[C@H](NC(=O)Cn3ncn(C)c3=O)CC[C@H]2C1 980089136 XFMRNGLFZJFDPA-BFHYXJOUSA-N 317.393 -0.568 30 20 DBED C=CCn1cc(C(=O)N2CC(NC(=O)c3ccon3)C2)nn1 990365455 SDHHZDBVXROODA-UHFFFAOYSA-N 302.294 -0.294 30 20 DBED N#CCN1CC[C@]2(NC(=O)Cn3c(O)nnc3O)CCC[C@H]12 992442344 CAKDYQLEFYFCOZ-TVQRCGJNSA-N 306.326 -0.674 30 20 DBED C#CCN1CC[C@]2(NC(=O)[C@H]3CN(C(C)=O)CCO3)CCC[C@@H]12 992465226 JPJZYRWXGVDWAU-BFYDXBDKSA-N 319.405 -0.020 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CN(C(=O)c3nnn(C)n3)C[C@@]2(C)C1 993344072 AVZOVKKSTWGAQP-PKFCDNJMSA-N 317.353 -0.710 30 20 DBED CC1(C)CC(=O)N(CC(=O)N2CCC[C@H](NCC#N)C2)C1=O 999155639 ZCNFGYQNKKSZIT-NSHDSACASA-N 306.366 -0.124 30 20 DBED CCn1nncc1C(=O)NCC1CN(C(=O)C#CC2CC2)C1 1001724124 QGRNWIMKGULOBT-UHFFFAOYSA-N 301.350 -0.100 30 20 DBED C#Cc1ccc(C(=O)N2CC(CNC(=O)c3ncn(C)n3)C2)cn1 1001728638 SUPRMSYPVPVFDU-UHFFFAOYSA-N 324.344 -0.307 30 20 DBED CCN1CCO[C@@H](C(=O)NCC2CN(C(=O)[C@H](C)C#N)C2)C1 1002285030 ALKYKZPBZCYVRZ-DGCLKSJQSA-N 308.382 -0.559 30 20 DBED COC(=O)[C@H]1C[C@@H]1C(=O)N1CCN(C(=O)C#CC2CC2)CC1 1010678837 WDOZRKWSXJZILY-STQMWFEESA-N 304.346 -0.120 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2C(NC(=O)c3cc(=O)n(C)cn3)[C@@H]2C1 1013314583 GIBHKXDEHYVPOZ-OPRDCNLKSA-N 315.333 -0.873 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2CC[C@@H](NC(=O)C(N)=O)C2)nc1 1015549424 GCBVZMIWLUHLFI-VXGBXAGGSA-N 314.345 -0.437 30 20 DBED C=CCCn1cc(C(=O)N2CC[C@H](N[C@@H](CC)C(N)=O)C2)nn1 1019494041 XTZWNCVLEIDQBS-RYUDHWBXSA-N 320.397 -0.078 30 20 DBED C[C@H](C#N)C(=O)N1CCCO[C@H](CNC(=O)c2ncc[nH]2)C1 1019585223 SYOBRAXVUWSKBR-GHMZBOCLSA-N 305.338 -0.083 30 20 DBED Cn1cnc(C(=O)N2C[C@@H]3CCN(C(=O)C#CC4CC4)[C@@H]3C2)n1 1021589542 YIXARZUWHNMJMU-QWHCGFSZSA-N 313.361 -0.099 30 20 DBED C=CCN1CC[C@H](N[C@H]2C[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)C1=O 1022726496 YKXDFWIRPGMFOK-FHUSYTEZSA-N 320.393 -0.869 30 20 DBED C=CCCn1cc(C(=O)NC[C@@H]2CCCN(CC(N)=O)C2)nn1 1023639948 RUUJJKIQJHOJKE-LBPRGKRZSA-N 320.397 -0.219 30 20 DBED C#CCCN1CCC[C@H](CNC(=O)C2CC(=O)NC(=O)C2)C1 1023648301 VINOZGULCNHRFD-GFCCVEGCSA-N 305.378 -0.109 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)/C(C)=C\C)C[C@H]1O 1024357911 ZDIXUJZBRMZGCM-XEVGULONSA-N 319.405 -0.262 30 20 DBED C=CCn1cc(C(=O)NC2CCC(NCC(N)=O)CC2)nn1 1026573818 WLXACKRAFPCKCN-UHFFFAOYSA-N 306.370 -0.420 30 20 DBED Cn1nnc(CNC[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)n1 1026788937 QDGRHRIPRYHJOP-SNVBAGLBSA-N 314.353 -0.338 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2CCN([C@@H]3CCNC3=O)C2)nn1 1028850943 BOWPOKMRTSKFNW-WCQYABFASA-N 318.381 -0.596 30 20 DBED C=CCCn1cc(C(=O)NC2CN([C@@H](C)C(=O)NC)C2)nn1 1031080109 WAZYKRKFAUJLSC-JTQLQIEISA-N 306.370 -0.597 30 20 DBED N#CCN1CC2(CCN(C(=O)[C@H]3CCS(=O)(=O)N3)CC2)C1 1035854498 KCKVVUQZNYXHIR-LLVKDONJSA-N 312.395 -0.874 30 20 DBED C=CCN[C@@H]1CCN(C(=O)CN2C(=O)CN(C)C2=O)C[C@@H]1C 1036287575 WPURGHBBPOYCMF-NWDGAFQWSA-N 308.382 -0.107 30 20 DBED CN1CCN(CC(=O)N2CC[C@@H]3[C@H](CCN3CC#N)C2)CC1=O 1036753330 OVACVQJFRQVVPJ-ZIAGYGMSSA-N 319.409 -0.793 30 20 DBED Cn1c(O)ncc(C(=O)N2CC[C@H]3[C@H](CCN3CC#N)C2)c1=O 1036791065 RXSRXMJZWAMUBL-PWSUYJOCSA-N 317.349 -0.454 30 20 DBED CN1CC[C@H](N2CC[C@H]2CNC(=O)c2cc(C#N)c[nH]2)C1=O 1038142214 BYUFYMAOWVJWRN-AAEUAGOBSA-N 301.350 -0.079 30 20 DBED CC#CCN1CC[C@@H]1CNC(=O)[C@H]1C[C@H](OC)CN1C(C)=O 1038553751 AIFJAMORQWZHQT-QLFBSQMISA-N 307.394 -0.164 30 20 DBED CC(C)C#CC(=O)NC[C@]1(O)CCN(C(=O)c2cnns2)C1 1039664519 RNCRVDNPJONKSJ-CQSZACIVSA-N 322.390 -0.109 30 20 DBED C=CCOCC(=O)N1CC[C@](O)(CNC(=O)c2oncc2C)C1 1040787880 LFEUGRQASHRNOE-HNNXBMFYSA-N 323.349 -0.121 30 20 DBED C=CCn1cc(C(=O)N2CC(O)(CNC(=O)[C@@H]3C[C@H]3C)C2)nn1 1041293350 ZKXLOECEHUIEQW-GHMZBOCLSA-N 319.365 -0.577 30 20 DBED C[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1NC(=O)[C@@H]1CCNC1=O 1042400131 JHGHBSXTTYAKSH-YUSALJHKSA-N 314.349 -0.575 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(O)CN(C(=O)C(C)(F)F)C1 1042808931 FWCCHBGMEKNCMM-LLVKDONJSA-N 306.309 -0.342 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)[C@H]2CCO[C@H]2C)C1 1042937871 MGTNUEMPZOXVNX-STQMWFEESA-N 308.378 -0.240 30 20 DBED C[C@H](C(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1)n1cccn1 1042958860 NYEZSXQTPHUVMQ-GFCCVEGCSA-N 316.361 -0.453 30 20 DBED CC(C)(C)C#CC(=O)N1CC(O)(CNC(=O)Cn2ccnc2)C1 1043711791 RNLQPBLOSOGDEG-UHFFFAOYSA-N 318.377 -0.378 30 20 DBED CC#CCN1CC[C@@H](N2CCN(C(=O)[C@@H]3COC(=O)N3)CC2)C1 1046025110 UKNJHRRXCLYITP-KGLIPLIRSA-N 320.393 -0.663 30 20 DBED C=CCN1CC[C@@H](N2C[C@H](O)[C@@H](N(C)C(=O)C(F)F)C2)C1=O 1047271829 VOVNAOSSGYEADC-VWYCJHECSA-N 317.336 -0.458 30 20 DBED C=CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCN(C(N)=O)C2)C1 1047449637 IWOYCVCDXSEBAR-RDBSUJKOSA-N 324.425 -0.143 30 20 DBED C#CCCCC(=O)N(C)[C@H]1CN(C(=O)[C@H](C)OCC#C)C[C@@H]1O 1048754523 UEXAPXGAJDEIIB-KKUMJFAQSA-N 320.389 -0.142 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cnn[nH]2)C1 1049062279 YVQWJKCXIPGFNH-RYUDHWBXSA-N 305.338 -0.748 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)[C@@H]1CCN(C(=O)COCC)C1 1049927655 APYPUOUXHXHWGS-CHWSQXEVSA-N 323.393 -0.484 30 20 DBED CC#CCN1CCOC[C@@H]1CNC(=O)c1cnc(N(C)C)cn1 1050919804 SAWZJGLMOCUZPE-ZDUSSCGKSA-N 317.393 -0.004 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)[C@@H]1CCC(=O)N1C(C)C 1051088128 YYRSAIJMVFXCNB-KGLIPLIRSA-N 307.394 -0.164 30 20 DBED N#Cc1ccc(N2CC[C@@H](NC(=O)c3cnn[nH]3)[C@H](O)C2)cn1 1051804779 AFRVGLGRYMNIBR-DGCLKSJQSA-N 313.321 -0.559 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC2(CN(Cc3ccn(C)n3)C2)C1 1053190790 FMASRTSVDQEQTP-LBPRGKRZSA-N 303.366 -0.007 30 20 DBED C#CCN1CC2(C1)CN(C(=O)c1cc(CN(C)C)on1)CCO2 1053321692 NXAFCBFJSJYSQG-UHFFFAOYSA-N 318.377 -0.104 30 20 DBED C=CCN1CC2(CC[C@@H](CNC(=O)c3cc(=O)n(C)cn3)O2)C1 1053614397 VWMYDQSMEIGWHM-LBPRGKRZSA-N 318.377 -0.071 30 20 DBED C=C(Cl)CN1CC2(C[C@H](NC(=O)[C@@H]3COC(=O)N3)CO2)C1 1053790769 BNWNMRHUMXURAI-UWVGGRQHSA-N 315.757 -0.193 30 20 DBED C=C(Cl)CN1CC2(C[C@H](NC(=O)[C@H]3CCNC3=O)CO2)C1 1053889767 QXWOAAMWDAWELR-QWRGUYRKSA-N 313.785 -0.166 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2COC3(C2)CN(CC(N)=O)C3)nc1 1053984884 FMOCNDPXXBWTTF-GFCCVEGCSA-N 314.345 -0.879 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2coc(S(N)(=O)=O)c2)C[C@@H]1C 1054817113 YFYFMPHXAFEQOU-GXSJLCMTSA-N 311.363 -0.390 30 20 DBED N#Cc1cnccc1N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cn1cnnn1 1054890855 JXFAZTOMXDJPFY-DYEKYZERSA-N 324.348 -0.134 30 20 DBED C=C[C@@](C)(CC)C(=O)N1CCC[C@@](CO)(NC(=O)C(N)=O)C1 1056087786 KDDALHJICWCMBV-LSDHHAIUSA-N 311.382 -0.456 30 20 DBED N#Cc1nccc(N2C[C@H]3C(NC(=O)CN4CCCC4)[C@@H]3C2)n1 1056225076 JEHGXOQCFWMTBN-VXGBXAGGSA-N 312.377 -0.005 30 20 DBED N#Cc1cccnc1N1C[C@H]2[C@H](NC(=O)Cn3ncnn3)[C@H]2C1 1056310136 PYTMYCREDVBKLZ-PJXYFTJBSA-N 310.321 -0.809 30 20 DBED C=CCOCC(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)CC(N)=O 1056314354 MQTGPCFFSDGBAS-VXGBXAGGSA-N 309.366 -0.344 30 20 DBED CN(c1cnc(C#N)cn1)[C@@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 1056910502 WHKSGPHEPKGBFG-GHMZBOCLSA-N 316.321 -0.506 30 20 DBED C=C[C@](C)(O)CC(=O)NCCN(CCO)C(=O)c1cnc(C)[nH]1 1057206181 IBGDTKPHOUXBSR-HNNXBMFYSA-N 324.381 -0.404 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)Cc1ccnn1C 1057453629 OLIZVSPHRDTFJG-NSHDSACASA-N 307.354 -0.941 30 20 DBED CC(C)(C)C#CC(=O)N(CCO)CCNC(=O)Cc1nc[nH]n1 1057540130 IGZHAUCENWEPCI-UHFFFAOYSA-N 321.381 -0.666 30 20 DBED C#CCOCCC(=O)N(CCO)CCNC(=O)C1=COCCC1 1057581535 UBDBDXHPKZHCQS-UHFFFAOYSA-N 324.377 -0.342 30 20 DBED C=CC(C)(C)CC(=O)N(CCO)CCNC(=O)c1ncn(C)n1 1057695145 XVAZFWVPOWBYBL-UHFFFAOYSA-N 323.397 -0.032 30 20 DBED N#Cc1ccc(N2CCC[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)nn1 1058239288 INKKGQCXIQHUGP-UTUOFQBUSA-N 314.349 -0.445 30 20 DBED C[C@@]1(C(=O)N2CC[C@H](Nc3cnc(C#N)cn3)C2)CNC(=O)C1 1059007669 JGEOKLMZQLCOOU-BONVTDFDSA-N 314.349 -0.113 30 20 DBED N#Cc1cncc(N[C@H]2C[C@H](NC(=O)Cn3cnnc3O)C2)n1 1059180833 WTSLOIGXPGUVQY-KYZUINATSA-N 314.309 -0.595 30 20 DBED CN1C[C@H](C(=O)N[C@H]2C[C@H](Nc3nccnc3C#N)C2)CC1=O 1059446050 IRLDCLWXQPEXNL-GMTAPVOTSA-N 314.349 -0.114 30 20 DBED C=CCCCC(=O)N1CCOC[C@H]1CNC(=O)CNC(C)=O 1061224752 TWUTVSJEZJTKMJ-CYBMUJFWSA-N 311.382 -0.178 30 20 DBED C=CC(C)(C)CC(=O)N1CCOC[C@@H]1CNC(=O)CC(N)=O 1061452914 IPHWNQXOGWFMHN-NSHDSACASA-N 311.382 -0.192 30 20 DBED CC(C)(O)CC(=O)NC[C@H]1COCCN1C(=O)C#CC1CC1 1061545681 CFEOWOHRXMRZBH-ZDUSSCGKSA-N 308.378 -0.096 30 20 DBED CCN(CC)CC(=O)N1CCOC[C@H]1CNC(=O)[C@H](C)C#N 1061848883 WGNAZIIWANMNBB-CHWSQXEVSA-N 310.398 -0.169 30 20 DBED CC(C)C#CC(=O)N1CCOC[C@@H]1CNC(=O)CCN(C)C 1061860492 YLZFZQLKAWBKCT-AWEZNQCLSA-N 309.410 -0.059 30 20 DBED O=C(C#CC1CC1)NC1(CNC(=O)[C@H]2CCC(=O)N2)CCC1 1062707064 MEMWAMNIIGHILK-GFCCVEGCSA-N 303.362 -0.167 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(NC(=O)[C@@H]2CNC(=O)N2)CCC1 1062865577 DFEHVAIQZTZCDP-IINYFYTJSA-N 324.381 -0.850 30 20 DBED C[C@@]1(NC(=O)[C@@H]2CNC(=O)N2)CCN(c2ncccc2C#N)C1 1065326866 SHTSVSBVXRHIEF-XHDPSFHLSA-N 314.349 -0.280 30 20 DBED N#Cc1nc(=NC[C@H]2CN(C(=O)c3ccon3)CCO2)cc[nH]1 1066593147 CWLTWCMUBKLIOD-JTQLQIEISA-N 314.305 -0.289 30 20 DBED N#Cc1nc(=NC[C@@H]2CN(C(=O)c3cocn3)CCO2)cc[nH]1 1066601752 FDFSHZGOLCDIEM-SNVBAGLBSA-N 314.305 -0.289 30 20 DBED C=C[C@](C)(O)CC(=O)N(C)CCCN(C)C(=O)Cn1cncn1 1067292477 OFXASUNEVBAJRR-HNNXBMFYSA-N 323.397 -0.088 30 20 DBED N#Cc1ccc(N2CCO[C@]3(CCN(C(=O)C(N)=O)C3)C2)cn1 1068083571 GWIRNLFTKQSOHP-OAHLLOKOSA-N 315.333 -0.754 30 20 DBED CCC(=O)NCC(=O)N1CC2(C1)CN(C(=O)[C@@H](C)C#N)CCO2 1068450900 AXIWTCCMFMXSIW-NSHDSACASA-N 322.365 -0.888 30 20 DBED CN(C)CCC(=O)N1CC2(C[C@H](NC(=O)C#CC3CC3)CO2)C1 1068863333 UJNSOXWJMBPRDW-AWEZNQCLSA-N 319.405 -0.162 30 20 DBED C[C@H]1[C@H](Nc2ccc(C#N)nn2)CCN1C(=O)Cn1ncnn1 1068900389 KBPOWQHHUHUGRB-GXSJLCMTSA-N 313.325 -0.564 30 20 DBED C=CCN1CCn2ncc(CNC(=O)[C@@H]3COCCO3)c2C1 1069853488 UCTMWWWILGIGPG-AWEZNQCLSA-N 306.366 -0.084 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)[C@H]2CCN(C)C2)CCOCC1 1070122327 SMYGTXJERLQKNO-STQMWFEESA-N 322.409 -0.121 30 20 DBED C=CCCC(=O)NCC1(NC(=O)[C@H]2CNC(=O)N2)CCOCC1 1070224799 BUQNOAFLQFGGGE-LLVKDONJSA-N 324.381 -0.584 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)c2cn(C)cn2)CCOCC1 1070231445 WLQGCEZJBKPBKL-NSHDSACASA-N 319.365 -0.025 30 20 DBED C=CCOCC(=O)N1CCC[C@@H](NC(=O)[C@H](C)CC(N)=O)C1 1070554211 LHTGRXBJPJJLPK-VXGBXAGGSA-N 311.382 -0.192 30 20 DBED CN1CC[C@H](C(=O)N2C[C@@H](NCC#N)[C@H](c3cncn3C)C2)C1 1070719150 UMBDXOGAGDYFNU-BFHYXJOUSA-N 316.409 -0.221 30 20 DBED N#CCN1C[C@H]2C[C@H]3CN(C(=O)[C@@H]4CCNC(=O)C4)C[C@@]3(C1)O2 1070785234 NTFLOCZYNFPJFY-OQMKEHIESA-N 318.377 -0.662 30 20 DBED CC(=O)NCC(=O)N1C[C@H](C)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 1071495717 KJAXDHIAIGUSMP-TVQRCGJNSA-N 317.349 -0.401 30 20 DBED C=C(C)CN1CCC2(C1)CN(C(=O)Cn1ncn(C)c1=O)C2 1072881048 CEXBYVXXOLPSST-UHFFFAOYSA-N 305.382 -0.308 30 20 DBED CC(C)C#CC(=O)N1CCC(C)(NC(=O)[C@H]2CNC(=O)N2)CC1 1073010702 VQVQXIGHFOSDAJ-GFCCVEGCSA-N 320.393 -0.176 30 20 DBED C#CCCCC(=O)NCC[C@H](C)NC(=O)C[C@@H]1CC(=O)NC1=O 1076303704 GMGFBTMJBHKHMZ-NWDGAFQWSA-N 321.377 -0.146 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)c2nnn(C(C)(C)C)n2)C1 1077034070 HGKPYFUQYXCBFL-GHMZBOCLSA-N 308.386 -0.221 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2COCCN2C2CCCC2)C1 1077560717 CWWXNRPTJCYBQC-BZUAXINKSA-N 323.437 -0.023 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)c2cccc3nnn(C)c23)C1 1078295895 DBAHMCSUJJKICG-ZIAGYGMSSA-N 313.361 -0.234 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H](N(C)C(=O)CNC(N)=O)CC1 1078814724 DDYZOQXGAKLVFP-MNOVXSKESA-N 309.370 -0.346 30 20 DBED C=C[C@@](C)(O)CC(=O)N(CC)C1CN(C(=O)CC(=O)NC)C1 1079684350 GBSQKPYVVKUJRD-OAHLLOKOSA-N 311.382 -0.491 30 20 DBED CCN(C(=O)C[C@H]1CCNC1=O)C1CN(C(=O)[C@@H](C)C#N)C1 1079897384 VIJSJDOILCXVLP-WDEREUQCSA-N 306.366 -0.268 30 20 DBED C[C@H](C#N)C(=O)NC1(CO)CCN(C(=O)c2cn[nH]c2)CC1 1080980379 RQGDGNPXHTTZRS-SNVBAGLBSA-N 305.338 -0.347 30 20 DBED CC(=O)N(C)CC(=O)N1CCC(CO)(NC(=O)[C@@H](C)C#N)CC1 1080981801 MEDIJQKVURPDDO-NSHDSACASA-N 324.381 -0.906 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2cc(C)no2)C1 1081256598 NPNWYUWKRCNSSX-VXGBXAGGSA-N 323.349 -0.265 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2cnn(C)n2)C1 1081600636 IOJJRJXRJYLTLK-DGCLKSJQSA-N 319.365 -0.976 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)C[C@@H]1CCCCC(=O)N1 1082345159 YNEFIOVBZHWBHK-YNEHKIRRSA-N 308.382 -0.226 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)c2ccc(=O)n(CCC)n2)C1 1084047031 WWLUWYSEADLYHW-OLZOCXBDSA-N 306.366 -0.386 30 20 DBED C#CCN[C@@H]1CN(C(=O)Cn2ccnc2)C[C@H]1c1cnn(C)c1 1087012336 RKJXBUJAVOPPIK-LSDHHAIUSA-N 312.377 -0.166 30 20 DBED CCN(c1ccc(C#N)nn1)[C@H](C)CNC(=O)[C@H]1C[C@H]1C(N)=O 1089752534 PQAXRSRHDGFOEE-JLLWLGSASA-N 316.365 -0.199 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)c2cn(CCOC)nn2)[C@@H](O)C1 1090260149 ZUKNKQLNRRWZDF-JSGCOSHPSA-N 323.397 -0.334 30 20 DBED CCC(=O)NCC(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1C 1090668713 QBPFPAMJXVFNRC-ZYHUDNBSSA-N 316.365 -0.185 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2cncc(C(N)=O)c2)[C@H](O)C1 1090819527 CGWAZGCMHMKCHF-ZIAGYGMSSA-N 316.361 -0.631 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cccc3nnn(C)c23)[C@H](O)C1 1090856752 HPURKVCDVMKDNJ-GXTWGEPZSA-N 313.361 -0.234 30 20 DBED N#Cc1cccnc1N1C[C@H](O)[C@H](NC(=O)CC2(O)CCC2)C1 1091097855 RIHWWPMFHDEWLF-OLZOCXBDSA-N 316.361 -0.076 30 20 DBED CCC[C@H](OC)C(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1091165885 GSPDSAGBLVMQMK-AGIUHOORSA-N 319.365 -0.171 30 20 DBED CN1CC[C@H](C(=O)N[C@@H]2CC3(CN(CC#N)C3)n3ccnc32)C1 1092413566 WHTCJJAVOUHSOF-QWHCGFSZSA-N 314.393 -0.070 30 20 DBED C#CCNC1CCC2(CC1)CN(C(=O)[C@@H]1CCNC1=O)CCO2 1093403229 KAJXGQLMFKEZKF-XOYHFGRZSA-N 319.405 -0.115 30 20 DBED COCCn1cc(C(=O)NCCNc2cnc(C#N)cn2)nn1 1093893409 YWBQMUVTJIOENU-UHFFFAOYSA-N 316.325 -0.572 30 20 DBED C[C@@H](C(=O)NCCN=c1cc[nH]c(C#N)n1)[C@H]1CCC(=O)N1 1094133009 JQISHLVQZRHZTB-NXEZZACHSA-N 302.338 -0.787 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)Cn3ccnc3)CC2=O)C1 1094823530 XKZJAXBQGXYXOK-GFCCVEGCSA-N 303.366 -0.530 30 20 DBED C[C@H](NC(N)=O)C(=O)NCCCN(C)c1ccnc(C#N)n1 1095534158 CEAMGMONKMRTJV-VIFPVBQESA-N 305.342 -0.652 30 20 DBED CN(CCCNC(=O)CCNC(N)=O)c1ccc(C#N)cn1 1095556921 SZSWKMBCAGEKNP-UHFFFAOYSA-N 304.354 -0.046 30 20 DBED CN(CCCNC(=O)[C@@H]1CCC(=O)NC1)c1cncc(C#N)n1 1095777703 PVLICHPLDFMTAC-LLVKDONJSA-N 316.365 -0.183 30 20 DBED CC(=O)NCC(=O)NC[C@H]1CCCN(c2ccc(C#N)nn2)C1 1097266738 AEEANRPEDWKXEJ-GFCCVEGCSA-N 316.365 -0.183 30 20 DBED C#CCCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cnc(O)n(C)c1=O 1097630340 GUUCPXSZJFNLGO-RTXFEEFZSA-N 316.361 -0.156 30 20 DBED C[C@H](CNC(=O)[C@H]1CCC(=O)N1C)Nc1ccc(C#N)nn1 1098230377 LOBUQEZWMMMNQY-MWLCHTKSSA-N 302.338 -0.114 30 20 DBED C[C@]1(C(=O)N2CCC(N(CC#N)CCO)CC2)CCC(=O)NC1 1098459052 TXQTUJOOCFGVJK-INIZCTEOSA-N 322.409 -0.288 30 20 DBED C=CCNCc1cn([C@@H]2CCN(C(=O)CNC(=O)OC)C2)nn1 1098626366 PPHBAIOWSCDJSV-GFCCVEGCSA-N 322.369 -0.317 30 20 DBED C#CCCNCc1cn([C@@H]2CCN(C(=O)CC(N)=O)C2)nn1 1098640906 NRJDAQGIEOAMNG-GFCCVEGCSA-N 304.354 -0.960 30 20 DBED N#CCNCc1cn([C@H]2CCN(C(=O)CN3CCCC3)C2)nn1 1098780086 QNODGLUBIFTWJS-AWEZNQCLSA-N 317.397 -0.240 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@@H](C)Nc1nccnc1C#N 1098983938 JYYGGDOFVMBNHD-LLVKDONJSA-N 314.349 -0.206 30 20 DBED C#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CN(C(C)=O)CCO2)C1 1099143438 XZGJEZUMVYDTBE-UXLLHSPISA-N 319.405 -0.162 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2cnccn2)[C@@H](O)C1 1099622711 CFAWBZVDOZFBBY-JSGCOSHPSA-N 304.350 -0.709 30 20 DBED N#CCNC(=O)CN1CC[C@@H](NC(=O)C=C2CCC2)[C@H](O)C1 1099764162 RAPQEWQSTUEZKH-CHWSQXEVSA-N 306.366 -0.712 30 20 DBED C#CCCN1CC[C@@H](NC(=O)C(=O)Nc2cc(C)on2)[C@@H](O)C1 1100110472 WGUWIRAFELRECL-NEPJUHHUSA-N 320.349 -0.504 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)C(C)(C)NC(=O)NC)[C@H](O)C1 1100126793 MRKVYAGYZNNGDR-VXGBXAGGSA-N 312.414 -0.179 30 20 DBED C#CCN1CC[C@@H](NC(=O)C(C)(C)CS(C)(=O)=O)[C@H](O)C1 1100136062 HFNLQHPNSGXWKF-VXGBXAGGSA-N 316.423 -0.758 30 20 DBED C=CCCOCC(=O)N[C@@H]1CCN(Cc2cn(C)nn2)C[C@H]1O 1100139372 POSMZKGOCXDJQZ-ZIAGYGMSSA-N 323.397 -0.541 30 20 DBED CCN(CCNC(=O)[C@@H]1COC(=O)N1)c1cnc(C#N)cn1 1100511073 LKVQKICGDMEBDW-JTQLQIEISA-N 304.310 -0.601 30 20 DBED CNC(=O)NCC(=O)NC[C@@H]1CCN(c2cncc(C#N)n2)C1 1101066404 UHEUMJKJARDEJI-JTQLQIEISA-N 317.353 -0.780 30 20 DBED CCc1nc(C#N)cc(NCCN(C)C(=O)CNC(=O)NC)n1 1102018201 PTLGDLDKDOKAKC-UHFFFAOYSA-N 319.369 -0.290 30 20 DBED CNC(=O)CC(=O)N1C[C@@H]2CC[C@H](C1)N2c1ccnc(C#N)n1 1102192525 VLEIYPWOSBUFPA-PHIMTYICSA-N 314.349 -0.336 30 20 DBED C[C@H](NC(N)=O)C(=O)N(C)[C@@H]1CCN(c2ccnc(C#N)n2)C1 1102697901 QZVUHIFYVBQLFC-VHSXEESVSA-N 317.353 -0.558 30 20 DBED CN(C)C(=O)CC(=O)N(C)[C@@H]1CCN(c2ccc(C#N)nn2)C1 1102765128 PSQJOXIINITSJF-GFCCVEGCSA-N 316.365 -0.136 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1CCNC(=O)COCc1ncnn1C 1103593414 ARUOTDKCWROUQV-CHWSQXEVSA-N 320.397 -0.071 30 20 DBED COCC(=O)N(C)CC(=O)N1C[C@@H](C)[C@H](CCNCC#N)C1 1104258153 WLLIOZDKOWKZHV-CHWSQXEVSA-N 310.398 -0.311 30 20 DBED CO[C@H](C)C(=O)NC[C@@H]1CN(c2cnc(C#N)cn2)CCO1 1104292991 LFEKALRZGOIWIV-ZYHUDNBSSA-N 305.338 -0.295 30 20 DBED CCc1cc(C(=O)NC[C@H](O)CNc2ccc(C#N)nn2)n[nH]1 1105778786 VTDPEPLGAVIMBX-LLVKDONJSA-N 315.337 -0.163 30 20 DBED CNC(=O)CC(=O)NC[C@@H](O)CNc1snc(C)c1C#N 1105799017 RISQYTAZHWOQLR-MRVPVSSYSA-N 311.367 -0.652 30 20 DBED N#Cc1nc(=NC[C@@H](O)CNC(=O)Cc2ccoc2)cc[nH]1 1105799205 XMBZDURUUVSYNW-LLVKDONJSA-N 301.306 -0.505 30 20 DBED Cc1nnc(CC(=O)NC[C@H](O)CNc2nccnc2C#N)o1 1105816323 WPJAGCNRVDNDII-VIFPVBQESA-N 317.309 -0.829 30 20 DBED CC(C)(C)C#CC(=O)NC[C@@H](O)CNc1nccn2nnnc12 1105825393 DNVWYBXBSYOEIC-SNVBAGLBSA-N 317.353 -0.542 30 20 DBED CCOCCOCC(=O)NC[C@@H](O)CNc1cnc(C#N)cn1 1105871664 ISZQNYLRMIDIQA-LBPRGKRZSA-N 323.353 -0.710 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)[C@@H](C)NS(C)(=O)=O)C[C@H]1C 1106701854 JXCVXVQXCOCZBA-JHJVBQTASA-N 315.439 -0.369 30 20 DBED CCNC(=O)CC(=O)NC/C=C/CNc1cnc(C#N)cn1 1107131564 UIHJBLYWFMAFON-ONEGZZNKSA-N 302.338 -0.041 30 20 DBED N#Cc1ccc(NC/C=C\CNC(=O)[C@@H]2CNC(=O)N2)nn1 1107489371 DBTOYBSWUSROGF-SYBPUXJVSA-N 301.310 -0.886 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@]1(C)CN(CC(C)C)CCO1 1107884418 HACIMSOWNHLSMJ-INIZCTEOSA-N 309.410 -0.011 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)Cn2cccc(C)c2=O)C1 1107944316 QUTLIMBSCAKESL-KRWDZBQOSA-N 317.389 -0.003 30 20 DBED C#CCC1(C(=O)NC[C@@]2(C)CN(CC(N)=O)CCO2)CCC1 1107990646 JCOOXYGFGGMMIN-HNNXBMFYSA-N 307.394 -0.128 30 20 DBED C[C@@]1(CNC(=O)C[C@H]2CCC(=O)NC2)CN(CC#N)CCO1 1107994485 PGRWHWREUGCDKX-IUODEOHRSA-N 308.382 -0.367 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)[C@]2(COC)CCOC2)C1 1108099388 KVVDKAFFXJMFKF-CVEARBPZSA-N 310.394 -0.120 30 20 DBED C[C@@H](CNc1cncc(C#N)n1)NC(=O)C[C@@H]1CC(=O)NC1=O 1108436215 YQHGQYVQHIJKBY-DTWKUNHWSA-N 316.321 -0.682 30 20 DBED C=CCO[C@H](C)C(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1 1108594217 MKRPMCLOYGLBCG-NEPJUHHUSA-N 306.366 -0.498 30 20 DBED C[C@H](CN(C)c1cnc(C#N)cn1)NC(=O)[C@@H]1COCCO1 1108828872 BUBRSUHXYOLPSY-PWSUYJOCSA-N 305.338 -0.295 30 20 DBED C[C@@H](CN(C)c1cnc(C#N)cn1)NC(=O)[C@]1(C)CCC(=O)N1 1109243281 VIFBQBKJGFCFGA-BONVTDFDSA-N 316.365 -0.042 30 20 DBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@]12COC[C@@H]1C2 1109307679 WUUNUBGJDLXTRW-AWYNBESOSA-N 318.377 -0.616 30 20 DBED CN(CCCNc1cncc(C#N)n1)C(=O)[C@@H]1CCNC1=O 1109578961 WVKCZUMAXSYQNM-LLVKDONJSA-N 302.338 -0.255 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1[C@H]2C[C@H]1N(c1ncccc1C#N)C2 1109703909 GQZYYAPGMVOEIK-WOSRLPQWSA-N 323.356 -0.214 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C(C)(C)NS(C)(=O)=O 1109810801 CTPJDSLCZBZBNR-WOPDTQHZSA-N 313.423 -0.331 30 20 DBED CC(=O)N1CC(C(=O)NCC2(Nc3nccnc3C#N)CC2)C1 1110113126 CSTZVLGRZZAJSW-UHFFFAOYSA-N 314.349 -0.113 30 20 DBED CN1CCC[C@@H]1C(=O)N(CCO)CCNc1cncc(C#N)n1 1111429376 IXJMXLHUAPWJPQ-CYBMUJFWSA-N 318.381 -0.325 30 20 DBED CNC(=O)CC(=O)N1CCO[C@H](CNc2nccnc2C#N)C1 1111939925 ADESOTNXSKYYKA-SNVBAGLBSA-N 318.337 -0.876 30 20 DBED C#CCNC(=O)CC(=O)N1CCN(Cc2nncs2)CC1 1112778070 ZOFRMUUNWYVMLE-UHFFFAOYSA-N 307.379 -0.678 30 20 DBED CC(=O)N1CC(C(=O)NC[C@@H](C)N(C)c2nccnc2C#N)C1 1113579551 PCKXRRPNTOWVCK-SNVBAGLBSA-N 316.365 -0.233 30 20 DBED CNC(=O)NCCC(=O)NC[C@H](C)N(C)c1cncc(C#N)n1 1113596757 BLVUWNWPAULTAZ-JTQLQIEISA-N 319.369 -0.392 30 20 DBED N#CCNC(=O)CN1C[C@H]2C(NC(=O)/C=C\c3ccco3)[C@H]2C1 1113795071 DSOCAOBEHGPTCN-OSQBGXQWSA-N 314.345 -0.021 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)Cn3cccn3)[C@H]2C1 1113854351 GTCNFGZWBBSDKC-RMRHIDDWSA-N 317.393 -0.380 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)[C@H](C)n3cccn3)[C@@H]2C1 1113892886 FNLMSMVHVDDTQP-YNEHKIRRSA-N 315.377 -0.760 30 20 DBED C=CCOCC(=O)NC1[C@@H]2CN(CCN3CCNC3=O)C[C@@H]12 1114047865 OCEFVAWMAFDCLJ-VXGBXAGGSA-N 308.382 -0.739 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)[C@@H]3COCCN3C)[C@@H]2C1 1114146772 HXTZMVMXSXGHEL-MCIONIFRSA-N 307.394 -0.987 30 20 DBED CC(C)NC(=O)CN(C)CC(=O)NC1[C@H]2CN(CC#N)C[C@H]12 1114521003 GGIUVXARGPLYBS-RYUDHWBXSA-N 307.398 -0.987 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3cnoc3CC)[C@H]2C1 1114899623 VZNWZKIDOQHTRD-JYAVWHMHSA-N 316.361 -0.354 30 20 DBED C[C@@](C#N)(NC(=O)CN1C(=O)N[C@@]2(CCOC2)C1=O)C1CC1 1116379208 VKORFWTXLNFOSH-UONOGXRCSA-N 306.322 -0.494 30 20 DBED C[C@H](CO[C@@H]1CCOC1)NC(=O)C(=O)N1CCO[C@H](C#N)C1 1117489750 ZFMXJLBUZRRMSQ-IJLUTSLNSA-N 311.338 -0.952 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)NCc1ccc(C(N)=O)cc1 1117544959 SMAZKFISZIHODU-LBPRGKRZSA-N 305.334 -0.281 30 20 DBED C=C(CC)CNC(=O)C(=O)N[C@@H](CC)C(=O)N1CCOCC1 1118017437 DUGZZJSHBDVZFN-LBPRGKRZSA-N 311.382 -0.178 30 20 DBED C=C[C@@H]1CCCCN1C(=O)C(=O)N[C@@H]1CCC(=O)N(C)C1=O 1118181741 GYTRWYPLLJTTJL-GHMZBOCLSA-N 307.350 -0.183 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)NCCC[C@@H]2CCOC2)C1 1118225353 DZLSADZYPCSYSL-DOMZBBRYSA-N 309.366 -0.204 30 20 DBED C#CCCNC1(CNC(=O)CN2C(=O)CNC2=O)CCCCC1 1120110513 QVTHTRGIPBJUSB-UHFFFAOYSA-N 320.393 -0.030 30 20 DBED C[C@@H](C#N)C(=O)NC1CC2(CC(NCc3nnn(C)n3)C2)C1 1120835008 SNOZFZPLMMPOSW-ICYBPSJXSA-N 303.370 -0.113 30 20 DBED COCC[C@H](C)C(=O)NC[C@@H](CO)Nc1cnc(C#N)cn1 1121610401 ZVDBTYQUKBMJKO-JQWIXIFHSA-N 307.354 -0.090 30 20 DBED N#Cc1cccnc1N[C@H](CO)CNC(=O)C(=O)NCC1CC1 1121929351 SAAAHIMBNBCPMH-LBPRGKRZSA-N 317.349 -0.632 30 20 DBED C[C@H]1C[C@H](Nc2cnc(C#N)cn2)CN1C(=O)CCNC(N)=O 1123232586 RDLMCEAEJXAIRG-UWVGGRQHSA-N 317.353 -0.192 30 20 DBED COC[C@@H](OC)C(=O)N(C)C[C@@H](O)CNc1ccc(C#N)nc1 1124722090 USCZBIGSVONTIK-UONOGXRCSA-N 322.365 -0.154 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)[C@H]1CCC(=O)N1 1124819473 VKPSCHDUVJWSFK-GFCCVEGCSA-N 308.382 -0.829 30 20 DBED C[C@@H](C#N)C(=O)NCCN[C@@H]1CCN(c2ccn(C)n2)C1=O 1124902929 NTQVTZNGMJBUJJ-WDEREUQCSA-N 304.354 -0.609 30 20 DBED C#CCOCCC(=O)NCCNC[C@H](C)CS(C)(=O)=O 1127023262 GQKNSMIBASTNRL-LBPRGKRZSA-N 304.412 -0.587 30 20 DBED C=CCO[C@@H](C)C(=O)NCc1cnn2c1CN(CCO)CC2 1128602282 CBKUIRFVPSMDDC-LBPRGKRZSA-N 308.382 -0.102 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@H]1CCCN1C1CCCC1 1129429207 DPYIZOILHHYDOC-OAHLLOKOSA-N 320.437 -0.151 30 20 DBED C[C@@H](OCC1CC1)C(=O)N1C[C@H](n2ccnn2)[C@H](NCC#N)C1 1129696365 SMFKEORJOWFQFI-BNOWGMLFSA-N 318.381 -0.042 30 20 DBED C#CCCN[C@@H]1CN(C(=O)c2cnc(C)[nH]2)C[C@@H]1n1ccnn1 1129703557 GFNZOVFVQIZSPK-KGLIPLIRSA-N 313.365 -0.012 30 20 DBED CC(C)C#CC(=O)N1C[C@@H]2C[C@@H]3CN(CC(N)=O)C[C@]2(C1)O3 1131231230 WXYOMFXDCAUTNU-WOSRLPQWSA-N 305.378 -0.567 30 20 DBED C#CCN1CC[C@]2(C1)CN(C(=O)CNC(=O)C1CC1)C[C@@H](C)O2 1131631748 INNSGIJYYOCNGG-DYVFJYSZSA-N 319.405 -0.162 30 20 DBED C#CCN1CC[C@]2(C1)CN(C(=O)CCNC(=O)NC)C[C@H](C)O2 1131657292 HXMSRKWGAJEWKU-BBRMVZONSA-N 322.409 -0.370 30 20 DBED Cn1nc(C(=O)NCCNCC(=O)NCC#N)c2c1CCCC2 1134114759 ZLMWKESSHZUAGZ-UHFFFAOYSA-N 318.381 -0.742 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)C[C@H](C)NCc1n[nH]c(C)n1 1134131021 PLAFEUIGNIWFHJ-WDEREUQCSA-N 320.397 -0.374 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)C[C@@H](C)NCc1nc(C)no1 1134131611 YZJIFKITBLUFPD-MNOVXSKESA-N 321.381 -0.110 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)c1cnnn1C 1134288404 HUWVENLWFIVJBW-MNOVXSKESA-N 306.370 -0.949 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H](CC(=C)C)NC(C)=O 1134821284 MXJMVTNWSHBWPL-TZMCWYRMSA-N 324.425 -0.146 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@H]1CCO[C@H]1C(=C)C 1135145177 AFMFRQPZEYKDDX-IHRRRGAJSA-N 307.394 -0.189 30 20 DBED C#CCCN[C@H](C)C[C@@H](C)NC(=O)CN1C(=O)CN(C)C1=O 1136128789 ADFIPFUZMCTWES-VXGBXAGGSA-N 308.382 -0.223 30 20 DBED COCCCC(=O)N1CC2(CCN(CC(=O)NCC#N)C2)C1 1147106254 NFOZZIIYRRBAJN-UHFFFAOYSA-N 308.382 -0.413 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@](C)(NC(C)=O)C1CC1 1147458129 KLIUZPLJJGSVBE-BDJLRTHQSA-N 324.425 -0.312 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)c1c[nH]nc1C 1154549253 NRENJUOXUWNUPB-LLVKDONJSA-N 305.382 -0.092 30 20 DBED C=CCNC(=O)CNCCCNC(=O)CCc1ccn(C)n1 1159087492 GXMVXIBDBOVUSJ-UHFFFAOYSA-N 307.398 -0.249 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)CCCn1ccnn1 1159703099 ZMBARIZUZVEOOZ-ZDUSSCGKSA-N 320.397 -0.708 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)[C@@]1(C)CCC(=O)NC1 1164441541 BKZXDEVGXMDRTD-WBMJQRKESA-N 322.409 -0.864 30 20 DBED N#Cc1ccc(F)cc1CNCCCNC(=O)[C@H]1CNC(=O)N1 1165465934 BOMXDSMDNKXBJD-CYBMUJFWSA-N 319.340 -0.025 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)c1cn(C)c(O)n1 1165868121 JCDYRFUZTWDDRX-SNVBAGLBSA-N 309.370 -0.474 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)[C@@H](C)n2cncn2)[C@H]1C 1178511739 DBBUHSBMGVHTLA-XQQFMLRXSA-N 318.381 -0.833 30 20 DBED Cc1nn(CC(=O)N2CC[C@@H](CNCC#N)[C@@H](C)C2)c(=O)n1C 1185595935 XRQJWULPWXZSQU-AAEUAGOBSA-N 320.397 -0.512 30 20 DBED CC(F)(F)C(=O)N1CC[C@H]2CN(CC(=O)NCC#N)C[C@H]21 1186658751 YVBJWWQTHCQXFK-VHSXEESVSA-N 300.309 -0.186 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)CCC(=O)NCC)C1 1189312001 YZSHIAPNLLKALB-CYBMUJFWSA-N 322.409 -0.815 30 20 DBED C=CCOCC(=O)N[C@@H]1CN([C@H](C)c2nncn2C)C[C@H]1O 1191772183 XEGSQVVNNRLYQS-IJLUTSLNSA-N 309.370 -0.760 30 20 DBED CC(C)n1nnnc1CN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)C#N)C1 1191854821 SUIXSSYZKRDSGY-HBNTYKKESA-N 307.358 -0.925 30 20 DBED Cc1nc(CN2C[C@@H](O)[C@H](NC(=O)C#CC(C)(C)C)C2)n[nH]1 1192804607 GLZBZQHEJFGSDL-VXGBXAGGSA-N 305.382 -0.176 30 20 DBED C#CCN1CCC(C(=O)N2CC[C@H](N(C)CC(=O)NC)C2)CC1 1194246966 UNENZPDGVRFOSL-HNNXBMFYSA-N 320.437 -0.390 30 20 DBED CCCCCCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 1195718078 NBDUKOYRUWQRLL-JHJVBQTASA-N 312.414 -0.201 30 20 DBED C[C@@H](C#N)C(=O)N1CCCO[C@@H](CNCC(=O)N2CCCC2)C1 1200116132 UJNLUFRZSSLIKB-KBPBESRZSA-N 322.409 -0.024 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)C[C@@H]2CCNC2=O)CCCO1 1200680132 KPNIDFQNVAAZGW-UONOGXRCSA-N 307.394 -0.257 30 20 DBED C=C(Br)CNC[C@@H]1CN(C(=O)C(N)=O)CCCO1 1201302316 PWRVTJWOHMIPLM-SECBINFHSA-N 320.187 -0.413 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)Cn2cccn2)CC1 1204470396 QMHZOCFZXWASLQ-UHFFFAOYSA-N 317.393 -0.539 30 20 DBED C#CCCNCC1CCN(C(=O)Cn2c(O)nnc2O)CC1 1206900283 VQMCDDPJLKJABP-UHFFFAOYSA-N 307.354 -0.459 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2ccns2)[C@H](C)C1 1207222648 KXTCWFKCVFJYHH-GHMZBOCLSA-N 306.391 -0.057 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)CN2CCOCC2)C1 1207856831 NEFPWKKDXZSIGT-CQSZACIVSA-N 324.425 -0.799 30 20 DBED Cn1ccc(CC(=O)N2CCC[C@@H](NCC(=O)NCC#N)C2)n1 1208008919 NYWDUOMBMDCJAI-CYBMUJFWSA-N 318.381 -0.817 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@@H](C)NC(=O)CC)C1 1208120608 ICHIMUCDNBKECB-CHWSQXEVSA-N 322.409 -0.769 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)c1ncccc1F 1209705966 SLPVABODKVVIPZ-ZYHUDNBSSA-N 319.340 -0.089 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)Cc2nonc2C)[C@H](C)C1 1209912289 IVXAFTUEZMPEMH-ZWNOBZJWSA-N 321.381 -0.341 30 20 DBED C=CCn1cc(C(=O)N2C[C@@H](N[C@H](C)C(=O)NC)[C@H](C)C2)nn1 1215832164 CRNCMWAPQKWUPY-IJLUTSLNSA-N 320.397 -0.351 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CN(C)C(=O)C1CC1 1218066165 QKHUSACKPAXVQO-LSDHHAIUSA-N 319.405 -0.210 30 20 DBED C=CCOCC(=O)N[C@@H]1CN([C@H](C)C(=O)NCCC)C[C@@H]1O 1219365636 CAPMUOBRQOYUGF-UPJWGTAASA-N 313.398 -0.735 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)Cc2ccc(C)o2)C1 1219471140 VMMLXGYLRAUXCT-KGLIPLIRSA-N 321.377 -0.406 30 20 DBED CCS(=O)(=O)N[C@@H](C)C(=O)N1C[C@H]2CCN(CC#N)C[C@H]21 1221565942 QDAPLPLTNHHTGI-QJPTWQEYSA-N 314.411 -0.630 30 20 DBED COCC#CCN1CCC(CNC(=O)CC(=O)N(C)C)CC1 1224778535 KBPLUMMSWTXFPU-UHFFFAOYSA-N 309.410 -0.057 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)C1=COCCC1 1231114778 QVLNXRQISDRPPK-AWEZNQCLSA-N 305.378 -0.037 30 20 DBED CN(C[C@H]1CCN1CC(=O)NCC#N)C(=O)c1ccn(C)c1 1233684108 XVWRZUCZYBFEPI-CYBMUJFWSA-N 303.366 -0.189 30 20 DBED C=CCNC(=O)[C@H](C)N1CC[C@@H]1CN(C)C(=O)CC(=O)NC 1233857151 OUVHDGHQNAFNMO-NWDGAFQWSA-N 310.398 -0.654 30 20 DBED COCC#CCN1CC[C@H]1CN(C)C(=O)c1cc(=O)n(C)cn1 1235487784 FPTJPMGYIPJYBD-ZDUSSCGKSA-N 318.377 -0.424 30 20 DBED C[C@H]1C(=O)N(C)CCN1C(=O)C(=O)N1CCC[C@@](C)(C#N)C1 1261323301 BZHZTKXASNNDRP-NHYWBVRUSA-N 306.366 -0.172 30 20 DBED Cn1nccc1[C@@H](O)C1CCN(C(=O)NCC#CCO)CC1 1262196089 XITLBAHAKUATJL-AWEZNQCLSA-N 306.366 -0.129 30 20 DBED C[C@H](C(=O)NCC1CCN(CC#N)CC1)N1CCN(C)CC1 1319137538 LIDKXMXXORDIPW-CQSZACIVSA-N 307.442 -0.026 30 20 DBED C=CCCCCNC(=O)C(=O)Nc1ncn(CC(=O)NC)n1 1320643898 GWJOKZMWCFKUEJ-UHFFFAOYSA-N 308.342 -0.565 30 20 DBED C#C[C@@H](NC(=O)C(=O)Nc1cccc(C(N)=O)n1)[C@H]1CCCO1 1320691831 SVXMTZSIHKPXGG-MWLCHTKSSA-N 316.317 -0.584 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N[C@H](C)[C@H](C)N1CCOCC1 1322776443 ITFISVJVVBAKCY-CABCVRRESA-N 319.405 -0.303 30 20 DBED COc1ccc(C(=O)NCC(=O)NCC#N)cc1OCCO 1323224043 HSGLTGOWVKGNST-UHFFFAOYSA-N 307.306 -0.564 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)NCCOC[C@H]1CCOC1 1323497740 VJNFIWLBWNUJED-RYUDHWBXSA-N 300.355 -0.527 30 20 DBED C=CCNC(=O)CNC(=O)C(=O)Nc1cnc2c(c1)COCC2 1324967161 LHYXCEIECOKQIW-UHFFFAOYSA-N 318.333 -0.489 30 20 DBED C#C[C@@H](NC(=O)C(=O)NCc1nnc(C)s1)[C@@H]1CCCO1 1327228280 XSCAXGVRIRVONG-ZJUUUORDSA-N 308.363 -0.240 30 20 DBED C=CCN(C(=O)C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1)C1CC1 1328986138 YQDBWXVJXLHFOC-SNVBAGLBSA-N 315.395 -0.687 30 20 DBED C=CCN(C(=O)C(=O)NC[C@@]1(C)CCC(=O)N1)[C@H](C)COC 1329083460 XPLAMRIVRRAJDX-IAQYHMDHSA-N 311.382 -0.179 30 20 DBED CC1(C)CCN(C(=O)NCC(=O)NCC#N)CCS1(=O)=O 1329236300 ZDRSMVKURHFUQV-UHFFFAOYSA-N 316.383 -0.765 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@@H]1CCN(CC)C1=O)[C@@H]1CCCO1 1331029582 LSIDLILIEFGEAA-TUAOUCFPSA-N 307.350 -0.980 30 20 DBED C#CC1(O)CN(C(=O)NCCN2C(=O)COc3ccccc32)C1 1333765788 WLGMFJKESYAXDZ-UHFFFAOYSA-N 315.329 -0.199 30 20 DBED C[C@H](CNC(=O)NC1CCN(CC#N)CC1)S(C)(=O)=O 1335666451 MIGIOXQUCIDMNT-SNVBAGLBSA-N 302.400 -0.293 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N1CC[C@@H]2NC(=O)CC[C@H]2C1 1346966767 IXIGYRJPOXOHMH-STQMWFEESA-N 323.393 -0.226 30 20 DBED C#CCOCCN(C)C(=O)CN(C)[C@H]1CCS(=O)(=O)C1 1349902129 OHJYLWSDPLNIAH-LBPRGKRZSA-N 302.396 -0.787 30 20 DBED CN(C)C(=O)Cn1cnc(NC(=O)c2ccc(C#N)n2C)n1 1361301777 MSYHMHREMMBKQP-UHFFFAOYSA-N 301.310 -0.171 30 20 DBED CN1CCC(CCNC(=O)Cn2cc(C#N)c(O)nc2=O)CC1 1361997082 OQWYEAOBSJYLEA-UHFFFAOYSA-N 319.365 -0.331 30 20 DBED N#Cc1c(N)sc2c1CCN(C(=O)Cn1cnc(N)n1)C2 1363025721 CKKSMNDELJKLEW-UHFFFAOYSA-N 303.351 -0.039 30 20 DBED C[C@@H](CN(C)C(=O)Cc1nc[nH]n1)NC(=O)c1cc(C#N)c[nH]1 1382250247 VJKZYEHYYAOOTA-VIFPVBQESA-N 315.337 -0.176 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CCN(C(=O)c2ccc(C(N)=O)o2)C1 1385327239 GCPIUPMVMZHCCQ-RKDXNWHRSA-N 304.306 -0.131 30 20 DBED CC[C@H](C(=O)N1CCN(CCNC(=O)[C@@H](C)C#N)CC1)N(C)C 1385535764 HBBHTKLKAMMGAJ-UONOGXRCSA-N 323.441 -0.253 30 20 DBED COc1ccc(C(=O)N2CC[C@H](NC(=O)[C@@H](C)C#N)C2)nn1 1385887893 ITVLNZKDOJDRMT-UWVGGRQHSA-N 303.322 -0.024 30 20 DBED CC(=O)NCC(=O)N1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 1396913309 KSGOTCMDIGOHPK-LLVKDONJSA-N 303.322 -0.647 30 20 DBED CO[C@H]1CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)C[C@H]1C 1412981648 MUFDSVPXBHNCIJ-KOLCDFICSA-N 306.322 -0.296 30 20 DBED C[C@H]1CN(C(=O)CN[C@H]2C[C@H](CNC(=O)[C@@H](C)C#N)C2)CCO1 1418690973 XPXMKCGNJDUXRJ-XUXIUFHCSA-N 322.409 -0.122 30 20 DBED C[C@H](CCNC(=O)CN1CCOCC1=O)NC(=O)[C@H](C)C#N 1429056068 LWCGAAAFPRUHHP-GHMZBOCLSA-N 310.354 -0.984 30 20 DBED CNC(=O)NCC(=O)N1CC[C@@](C)(CNC(=O)[C@H](C)C#N)C1 1434239232 GBSBHJQNSSZDBD-YGRLFVJLSA-N 309.370 -0.570 30 20 DBED Cc1nc(CC(=O)NC[C@@H](NC(=O)[C@@H](C)C#N)C2CC2)n[nH]1 1447135445 NYXQBTJRXBBAPS-GZMMTYOYSA-N 304.354 -0.174 30 20 DBED CC[C@H](CNC(=O)Cn1ccc(O)nc1=O)NC(=O)[C@H](C)C#N 1451021635 YDJHCHZOFJNQPT-NXEZZACHSA-N 321.337 -0.880 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(N(CCO)Cc2nc(O)n[nH]2)CC1 1479750606 NDXZLYKAWJZLCD-JTQLQIEISA-N 322.369 -0.545 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(Cc2nnc3n2CCOC3)C1 1479948662 UHAFFNBCZXGSPA-GFCCVEGCSA-N 321.381 -0.299 30 20 DBED CN(CCNC(=O)Cn1cncn1)C(=O)c1cc(C#N)c[nH]1 1496580631 NCRINWWFAZZGJH-UHFFFAOYSA-N 301.310 -0.634 30 20 DBED COCCCNC(=O)[C@H](C#N)C(=O)c1ccoc1CC(N)=O 1515144167 BEORFUGVDWSSLL-SNVBAGLBSA-N 307.306 -0.217 30 20 DBED N#Cc1nc(N)n(CC[S@@](=O)C(F)(F)F)c1-c1nn[nH]n1 1570922491 KDIHVDNYWQFSDO-OAQYLSRUSA-N 320.260 -0.214 30 20 DBED C#CCN(c1nnc(C)n1CCNC)[C@H]1CCS(=O)(=O)C1 1574672590 CBFOERDTWKKSNC-LBPRGKRZSA-N 311.411 -0.567 30 20 DBED C#C[C@H](C)N(C)CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cn1 1588325062 FATQKPNGWHCBAV-JTQLQIEISA-N 320.378 -0.011 30 20 DBED C#CC1(F)CN(C(=O)C2(C(=O)O)CCS(=O)(=O)CC2)C1 1588386799 WCMLOFVYJVFKPG-UHFFFAOYSA-N 303.311 -0.550 30 20 DBED C#CC[C@H](NC(=O)CN(C)c1ncnc2[nH]cnc12)C(=O)O 1588405465 OKOQWRWHKOMICH-QMMMGPOBSA-N 302.294 -0.618 30 20 DBED C#CCN(CC(=O)O)C(=O)NCCN1CCC2(C1)OCCO2 1588408449 NPKSQCCPDOYLMF-UHFFFAOYSA-N 311.338 -0.835 30 20 DBED N#CCNC(=O)CNC(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1 1592677749 JAFPRKBYPCSSRP-UHFFFAOYSA-N 318.272 -0.233 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CCN(c2ccc(-c3nn[nH]n3)nn2)C1 1592768346 IOJGIKLTUJNTNC-LLVKDONJSA-N 324.348 -0.235 30 20 DBED O=C(N[C@H]1CCN(O)C1=O)c1ncc(-c2nn[nH]n2)cc1Cl 1592988595 MZJGKZIPMIZJJM-ZETCQYMHSA-N 323.700 -0.365 30 20 DBED COCCN1CCCN(C(=O)[C@](C)(C#N)CC(=O)O)CC1=O 1594015378 YICVZIPFAXWDET-AWEZNQCLSA-N 311.338 -0.302 30 20 DBED N#Cc1ccc(CC(=O)NCCOCCOCC(=O)O)cn1 1594618451 PKPHAIOAFRGQLS-UHFFFAOYSA-N 307.306 -0.270 30 20 DBED O=C(O)Cn1cc(C(=O)NCc2ccc(C(=O)NO)cc2)nn1 1595143444 FSPDASIJVHPIED-UHFFFAOYSA-N 319.277 -0.588 30 20 DBED CN(C)C[C@@](C)(C#N)NC(=O)CN1CCC[C@@H](C(=O)O)C1=O 1598199262 CZBOIPPMAZIIFH-QMTHXVAHSA-N 310.354 -0.730 30 20 DBED COC[C@@]1(C(=O)O)CCCN1c1c(C#N)c(=O)n(C)c(=O)n1C 1599194923 NHGQUTJVNRTHPC-CQSZACIVSA-N 322.321 -0.974 30 20 DBED CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)c1cc(C#N)ccn1)C(=O)O 1599762961 OZLXDWOAYLYREP-GXFFZTMASA-N 323.330 -0.429 30 20 DBED N#Cc1ccc(S(=O)(=O)N2C[C@H]3C[C@H]2C(=O)O3)c(C(=O)O)c1 1601110513 BHQJLSDJGFCKNR-SCZZXKLOSA-N 322.298 -0.055 30 20 DBED O=C(NCC#CCO)N1CCC(O)(C2(C(=O)O)CCC2)CC1 1601446938 DBGXIUGFQVYTTE-UHFFFAOYSA-N 310.350 -0.227 30 20 DBED C[C@](C#N)(CC(=O)O)C(=O)NCCN1CCC2(C1)OCCO2 1602780573 JCYZZSFTRHKPDU-CYBMUJFWSA-N 311.338 -0.444 30 20 DBED C[C@@H](CNc1nccnc1-c1nn[nH]n1)NC(=O)[C@H](C)C#N 1602984191 UARJWOWTZADPSF-SFYZADRCSA-N 301.314 -0.267 30 20 DBED CN(C[C@H]1CCN1CC#N)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 1604748661 DMVBAQMXOPINJM-SNVBAGLBSA-N 300.326 -0.135 30 20 DBED CN(C)S(=O)(=O)CCCn1cnc(C#N)c1-c1nn[nH]n1 1609268968 TUGGBISRPOVSDC-UHFFFAOYSA-N 310.343 -0.784 30 20 DBED COC(=O)c1cc(C#N)c(=O)n(C[C@H]2CC(C(=O)O)=NO2)c1 1610195745 LDHAYAGBRIYABQ-SECBINFHSA-N 305.246 -0.264 30 20 DBED C=C(C)CCN[C@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 1690259117 ULAJGSGQAKNCOL-NWDGAFQWSA-N 301.412 -0.165 30 20 DBED C#CCNC(=O)CN(CC)CCCNC(=O)c1cnns1 1752169174 HBIATFLVXJHUIO-UHFFFAOYSA-N 309.395 -0.271 30 20 DBED C=CCn1cc(C(=O)NC[C@H](N[C@@H](C)C(=O)NC)C2CC2)nn1 1752511580 GYRYYWXXJFHDBH-JQWIXIFHSA-N 320.397 -0.303 30 20 DBED C=CCN1CC[C@H](N[C@H]2C[C@@H](NC(=O)C(C)(C)C(N)=O)C2)C1=O 1752740275 ZEXZKYQZTGMXNU-TUAOUCFPSA-N 322.409 -0.478 30 20 DBED N#CCNC(=O)CN1CCC[C@@H]1CNC(=O)CCc1cn[nH]c1 1753113339 NVJHWZAFDVAZPC-CYBMUJFWSA-N 318.381 -0.437 30 20 DBED C[C@H](OCC1CC1)C(=O)NC[C@@H]1CCN(CC(=O)NCC#N)C1 1753122811 NELJIIDVCKFJSK-JSGCOSHPSA-N 322.409 -0.121 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@H]1CCN(Cc2nnnn2C)C1 1753122879 QFOHESFDIGRGKE-FZMZJTMJSA-N 308.386 -0.525 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCN(C1CC1)[C@@H](C)C(=O)NC 1753155726 HNYJAZAVEMCOHW-ZFWWWQNUSA-N 320.437 -0.201 30 20 DBED C=CCNC(=O)CN1CC[C@H](N(C)C(=O)[C@H](C)NC(=O)CC)C1 1753436779 NHGZRATZDKHPOC-STQMWFEESA-N 324.425 -0.264 30 20 DBED C#CCNC(=O)CNC[C@@H](O)CNC(=O)c1nc(C)c(C)s1 1753938513 YMVOPZIKQVSYDI-LLVKDONJSA-N 324.406 -0.810 30 20 DBED CN(CCCN[C@@H]1CCC(=O)NC1=O)C(=O)CSCC#N 1754358819 SUUDXHTZKNMTAX-SNVBAGLBSA-N 312.395 -0.514 30 20 DBED C#CCNC(=O)CNC1(CNC(=O)c2cncnc2C)CC1 1754507249 CQHVHMQETUEULW-UHFFFAOYSA-N 301.350 -0.614 30 20 DBED C#CCCNC1(CNC(=O)[C@H]2CCc3nnnn3CC2)CC1 1754525465 QWYLGZSQDKNQAU-LBPRGKRZSA-N 302.382 -0.113 30 20 DBED N#CCNC[C@H](NC(=O)C[C@@H]1NC(=O)NC1=O)C1CCCC1 1754651615 XHAMMBZYQIPWFT-QWRGUYRKSA-N 307.354 -0.627 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(NCc2nnn(C)n2)CCC1 1754979841 FQGYSPVLDQCHDL-ZDUSSCGKSA-N 308.386 -0.334 30 20 DBED C#CCNC(=O)CN1CC2(C[C@H](NC(=O)C=C(C)C)CO2)C1 1755056494 DFUNPAVBARUTSI-ZDUSSCGKSA-N 305.378 -0.339 30 20 DBED N#CCN[C@@]1(CO)CCCN(C(=O)CCCCc2cnn[nH]2)C1 1755087291 SVNKOXQYUZMRLB-HNNXBMFYSA-N 320.397 -0.016 30 20 DBED CN(C)S(=O)(=O)CCC(=O)NC[C@H]1[C@@H]2CN(CC#N)C[C@H]12 1755436762 XHYJHPKTJIEMHB-CNDDSTCGSA-N 314.411 -0.915 30 20 DBED COc1ccn2c(C(=O)NC[C@@H](CO)NCC#N)cnc2c1 1755632457 FJCNBPXRBINAGB-JTQLQIEISA-N 303.322 -0.453 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CC(N(C)C(=O)CCOCC#C)C1 1755856570 DLRREKZBMMDDOB-WLYUNCDWSA-N 319.405 -0.257 30 20 DBED CC#CCCCC(=O)N(C)[C@H](C)CNC(=O)Cn1ncnn1 1756030158 SRRUUFGTTQGWJQ-GFCCVEGCSA-N 306.370 -0.170 30 20 DBED C#CCCCC(=O)N[C@@H]1CCN(C(=O)Cn2cnnn2)[C@H]1C 1756553424 DTDRTOJOALIJLI-NWDGAFQWSA-N 304.354 -0.418 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@H]1CN(C)C(=O)Cn1cccn1 1757274693 YLUXQDFMZDDVBQ-KGLIPLIRSA-N 318.377 -0.019 30 20 DBED C[C@]1(C(=O)N[C@H]2C[C@@H](CNC(=O)C#CC3CC3)C2)CNC(=O)C1 1757319347 VIXWFMMGAMGYJQ-IIYDPXPESA-N 317.389 -0.063 30 20 DBED C=CCCOCC(=O)N1CC[C@H](NC(=O)[C@@H]2CCC(=O)N2)[C@H]1C 1757530524 MBSTUHCOCIZOQO-AGIUHOORSA-N 323.393 -0.037 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCCCO1 1792569515 NFQPGEAQCNPNQT-XFMPKHEZSA-N 306.362 -0.222 30 20 DBED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835346432 AHZBTMDABYWRLI-MRXNPFEDSA-N 317.345 -0.620 30 20 DBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(F)F)C2)C1 1839807114 SVRNABSBRNFNDZ-CQSZACIVSA-N 316.304 -0.269 30 20 DBED C#CCN1CCN(C(=O)CN[C@H](C(=O)OC)C(C)(C)C)CC1 119223516 YTEXHMKFINSNDU-CQSZACIVSA-N 309.410 -0.059 30 20 DBED CC(=O)N1CCN(C(=O)CNC(=O)c2ccc(C#N)cc2)CC1 171106145 YWAVIBVHQMFCNM-UHFFFAOYSA-N 314.345 -0.021 30 20 DBED CCN(CC)[C@@H]1CCN(/C(=N\C)NC[C@@H]2CN3CCN2CC3)C1 261671401 GZZVTYYEOCOQGZ-HZPDHXFCSA-N 322.501 -0.022 30 20 DBED C=C(Cl)CNC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 265496193 HEPBUFMGOSLTDQ-UWVGGRQHSA-N 320.798 -0.109 30 20 DBED N#C[C@H]1COCCN1CCOc1ccc(S(N)(=O)=O)cc1 266847438 AYKDOWBPOHCJLQ-NSHDSACASA-N 311.363 -0.063 30 20 DBED Cn1cnc(S(=O)(=O)NCC(=O)N[C@H](C#N)C(C)(C)C)c1 268115007 MSRALKYRCWGYQL-SECBINFHSA-N 313.383 -0.247 30 20 DBED Cc1cc(NC(=O)CN2CCC(=O)NC2=O)nn1CCC#N 270983839 AIGTYCVFEOLMIY-UHFFFAOYSA-N 304.310 -0.014 30 20 DBED C[C@@H]1OCC[C@@]12CN(c1c(C#N)c(=O)n(C)c(=O)n1C)CCO2 280395630 HYVXQXFJJNXBLK-ZUZCIYMTSA-N 320.349 -0.660 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCc2ccn(C)c2)C1=O 287512788 MAJCXKMAGDCHCB-ZDUSSCGKSA-N 318.377 -0.113 30 20 DBED C=CCCOCCNC(=O)C(=O)N1C[C@H](C)O[C@H](COC)C1 289460659 UXYBWWPAVWZSKW-STQMWFEESA-N 314.382 -0.042 30 20 DBED N#Cc1ccc(O[C@@H]2CCN(CC(=O)N3CCNC3=O)C2)nc1 292360364 XZWPBQLGPKZMKN-GFCCVEGCSA-N 315.333 -0.042 30 20 DBED CN1CCO[C@@H](CN/C(O)=N/CCC2(O)CCOCC2)C1 329290561 QQRPJZLBHSMHTK-LBPRGKRZSA-N 301.387 -0.248 30 20 DBED O/C(=N/CCn1cncn1)N1CCN(C2CCOCC2)CC1 329913846 XOOAZGBPWXVVHB-UHFFFAOYSA-N 308.386 -0.011 30 20 DBED CN(C)c1ccc(NC(=O)C(=O)N2CCO[C@H](C#N)C2)cn1 330657601 PRMUCHQMRVWZHW-LLVKDONJSA-N 303.322 -0.163 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@H]2C[C@]23CCOC3)CC1 332876422 ZOGRURXKFHCHBO-CJNGLKHVSA-N 307.394 -0.141 30 20 DBED COCCN(CCC#N)S(=O)(=O)NCC1=CCN(C)CC1 336895233 QXOYXBUSVHMCBS-UHFFFAOYSA-N 316.427 -0.055 30 20 DBED CS[C@H](CO)[C@H](C)NS(=O)(=O)N1CCO[C@@H](C#N)C1 336937039 GPNBKPBEHZJTIB-LPEHRKFASA-N 309.413 -0.842 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1CCC[C@@H](O)CC1 339142638 AZUGKXJENLBENA-GFCCVEGCSA-N 305.400 -0.060 30 20 DBED C=CCNC(=O)NC(=O)CN1CCC[C@@H](CS(C)(=O)=O)C1 339153363 PKTYGEFODSSAQG-LLVKDONJSA-N 317.411 -0.245 30 20 DBED N#CCNC(=O)CNC(=O)c1cccc(N2CCCNC2=O)c1 343512592 YSSAKABNSSCIFU-UHFFFAOYSA-N 315.333 -0.024 30 20 DBED CN(C)C(=O)COC1CN(C(=O)Nc2ccn(CCC#N)n2)C1 352970282 KBMYVBNVSOSJSN-UHFFFAOYSA-N 320.353 0.118 30 20 DBED C=CCSCCNC(=O)C(=O)N1C[C@@H](CO)O[C@H](C)C1 355290576 MRVZDGDPRJNZEY-MNOVXSKESA-N 302.396 -0.370 30 20 DBED C=C(C)CS(=O)(=O)NCCCCN1CCN(CCO)CC1 357560399 HZQFABOTFFNEMT-UHFFFAOYSA-N 319.471 -0.128 30 20 DBED N#CCCNS(=O)(=O)c1ccc(C(=O)NCCC(N)=O)cc1 359696798 DSXLCVSJLSEPAZ-UHFFFAOYSA-N 324.362 -0.516 30 20 DBED CN(CCC#N)C(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 363214000 NTQATZQPNIRTNR-WDEREUQCSA-N 313.379 -0.606 30 20 DBED COC(=O)Cn1ccc(N[C@@H](C(N)=O)c2ccc(C#N)cc2)n1 438301894 KQJMEHPZEBYQLC-CQSZACIVSA-N 313.317 0.566 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)CCc2cnc[nH]2)CC1 491142814 DHMBXEZDVGFLSR-UHFFFAOYSA-N 303.366 -0.764 30 20 DBED C#CCN1CCN(C(=O)CN[C@H]2CCC[C@@H]2C(=O)NC)CC1 491165033 HXDUVKOFNHRXFL-KBPBESRZSA-N 306.410 -0.732 30 20 DBED C#CCNS(=O)(=O)CCCS(=O)(=O)Nc1nocc1C 491405565 JOKFAJVOEHESDV-UHFFFAOYSA-N 321.380 -0.333 30 20 DBED CS(=O)(=O)N1CCC[C@H](NC(=O)[C@H](N)CCCCC#N)C1 594431067 GWPZSPKMOGUTMQ-NWDGAFQWSA-N 316.427 -0.062 30 20 DBED CN1CCN(CC(=O)NCc2ccc(C#N)cc2)[C@@H](CO)C1 602905485 SOYXLTXNODJMQZ-OAHLLOKOSA-N 302.378 -0.217 30 20 DBED CC(C)(CNC(=O)Cn1ccc(C#N)cc1=O)N1CCOCC1 603347241 HHPUTAZEQIUZLA-UHFFFAOYSA-N 318.377 -0.053 30 20 DBED CCC[C@H](C#N)NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 608815399 OVIGFOUKWIDPHO-SECBINFHSA-N 318.337 -0.758 30 20 DBED C=C[C@@H](C(=O)OC)N1CCN(C(=O)C(=O)N2CCCC2)CC1 619716350 LVDHMZPDFXAQJD-LBPRGKRZSA-N 309.366 -0.519 30 20 DBED CC#CC[C@@H](CO)NC(=O)C(=O)Nc1ccnc(OCCO)c1 658041591 CXTVRJYXFLQBKJ-LBPRGKRZSA-N 321.333 -0.718 30 20 DBED Cn1c(NCCCCC#N)c(-c2nn[nH]n2)c(=O)n(C)c1=O 737597821 VNKXSNZWTBGIRV-UHFFFAOYSA-N 304.314 -0.630 30 20 DBED C[C@H](OC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C(=O)O 737708119 ULSDQWCDIBHMES-ZETCQYMHSA-N 312.303 -0.259 30 20 DBED N#Cc1cccc(NC(=O)C(=O)N2CCO[C@H](C(=O)O)C2)c1 739134240 YOZMZLXKCJVVHV-NSHDSACASA-N 303.274 -0.191 30 20 DBED COCCn1cc(C=NN=c2nc3[nH][nH]cc-3c(O)n2)cn1 743442266 USFFODUHYUDDMX-UHFFFAOYSA-N 302.298 -0.279 30 20 DBED C#CCCCC(=O)OCC(=O)N1CCN(CC(=O)N(C)C)CC1 759165670 BYJMOUNTCBNDFE-UHFFFAOYSA-N 323.393 -0.435 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCO[C@@H]2C)CC1 790582678 RPXWZGYXXFFWPH-ZIAGYGMSSA-N 307.394 -0.305 30 20 DBED C#CCC[C@@H](O)CNC(=O)c1ccc(F)c(S(N)(=O)=O)c1 799069564 ALFOPKIICDHYDM-SNVBAGLBSA-N 314.338 -0.023 30 20 DBED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(C(=O)O)cc1F 819720341 XBPYMOODDIPKOT-UHFFFAOYSA-N 323.280 -0.119 30 20 DBED C#CCNC(=O)[C@@H](C)OC(=O)c1ccc(S(N)(=O)=O)cc1 820857412 XPZCFICHZSQRJG-SECBINFHSA-N 310.331 -0.371 30 20 DBED CN(C)C(=O)COc1ccccc1C(=O)N[C@H]1CNC[C@H]1C#N 834517773 YZXQWBHIWAUWAN-YPMHNXCESA-N 316.361 -0.005 30 20 DBED Cc1oc(C)c(S(N)(=O)=O)c1C(=O)N[C@@H]1CNC[C@@H]1C#N 843458892 AXQDEGRKXVMIFN-DTWKUNHWSA-N 312.351 -0.615 30 20 DBED C#C[C@@H](NC(=O)N1C[C@@H]2COC[C@]2(C(=O)O)C1)[C@H]1CCCO1 851650446 HCCFHYNWTGQHTK-RTWAVKEYSA-N 308.334 -0.090 30 20 DBED C#CC[C@@H](CO)NC(=O)[C@H]1CCCN(S(=O)(=O)CC)C1 854546368 CWVIDOAOXFMVCV-RYUDHWBXSA-N 302.396 -0.452 30 20 DBED C#CC[C@@H](NC(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1)C(=O)OC 861950193 BUNTXEGKGVOZEA-CMPLNLGQSA-N 318.333 -0.546 30 20 DBED C#CC[C@@H](CCOC)NC(=O)[C@@H]1CCCN1S(C)(=O)=O 876075966 YZQCASFNZYZNEA-RYUDHWBXSA-N 302.396 -0.045 30 20 DBED C=CCNC(=O)NC(=O)CN1CCSC[C@H]1C(=O)OC 887069983 BRKNHZYEZUNEFW-VIFPVBQESA-N 301.368 -0.411 30 20 DBED C#CC1(O)CN(C(=O)[C@@H]2CC=CC[C@@H]2C(=O)N2CCOCC2)C1 890524553 QDMYBUWFVUXSCW-UONOGXRCSA-N 318.373 -0.366 30 20 DBED C#CCN1CCC[C@H](NC(=O)[C@H](NS(C)(=O)=O)C(C)C)C1 923564418 YBBZIKYFLOHYBK-QWHCGFSZSA-N 315.439 -0.226 30 20 DBED CC[C@H](CN1CCOCC1)NC(=O)[C@@H](C)n1cnc(C#N)n1 928651568 QRTYYUAUROLBRM-VXGBXAGGSA-N 306.370 -0.062 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1CCC(O)(CN(C)C)CC1 931486111 MGHPGNZJSFRFLA-LBPRGKRZSA-N 312.414 -0.225 30 20 DBED Cc1noc(CN2CC(N3CCN(C(=O)[C@@H](C)C#N)CC3)C2)n1 941345669 ZYGJRTZXUJAZPF-NSHDSACASA-N 318.381 -0.134 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)CN2CC(=O)NC2=O)[C@H](C)C1 943673106 AXBBJDAQRYCMAC-NEPJUHHUSA-N 308.382 -0.059 30 20 DBED O=C(C#CC1CC1)N1CCO[C@H](CNC(=O)[C@@]23COC[C@@H]2C3)C1 944624501 LWUFHUOMVQHLCE-VBQJREDUSA-N 318.373 -0.220 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)COC)C1 949725965 XFJBQHPXVUSIRJ-KBPBESRZSA-N 307.394 -0.162 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@H]2CCOC2)C1 954630752 ILYXUHYYJQFRJX-ZFWWWQNUSA-N 319.405 -0.210 30 20 DBED C[C@@]1(NC(=O)[C@H]2CNC(=O)N2)CCN(C(=O)C#CC2CC2)C1 957454506 CLHRWHUECARZBJ-IAQYHMDHSA-N 304.350 -0.812 30 20 DBED N#CCN1C[C@@H](O)[C@@H](CNC(=O)c2n[nH]cc2C(F)(F)F)C1 958131664 YGDHTJFYCGMBEZ-IONNQARKSA-N 317.271 -0.025 30 20 DBED N#CCN1C[C@H](O)[C@H](CNC(=O)c2cc(O)nc(C3CC3)n2)C1 958157627 OHWBBYRTZIHQLB-PWSUYJOCSA-N 317.349 -0.394 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2CN(CCCF)C[C@H]2O)nn1 958470993 CLFLFVNXUJNFHX-DGCLKSJQSA-N 311.361 -0.154 30 20 DBED CCn1cc(C(=O)N(C)[C@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)nn1 958945815 FLRBDJRQYKQHOM-USWWRNFRSA-N 320.353 -0.899 30 20 DBED C#CCN1C[C@H]2[C@H](NC(=O)c3cn(-c4cccnc4)nn3)[C@H]2C1 960218298 ZQVQLALRHGLPMM-NHAGDIPZSA-N 308.345 -0.045 30 20 DBED N#CCN1C[C@H]2C(NC(=O)c3ccccc3OCC(N)=O)[C@@H]2C1 960932008 QGUCMKHXMBDKEO-VXGBXAGGSA-N 314.345 -0.266 30 20 DBED Cc1ccnc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)n1 962575232 CFDDHXMUMRTUPM-GDPRMGEGSA-N 303.322 -0.754 30 20 DBED Cn1ncc(C(=O)NC[C@H]2COCCN2C(=O)C#CC2CC2)n1 964266434 SJVBXDBVWXAJCV-LBPRGKRZSA-N 317.349 -0.814 30 20 DBED O=C(N[C@@H]1COC2(C1)CN(C(=O)C#CC1CC1)C2)c1cc[nH]n1 965635372 GUALRNHTZYUKBP-LBPRGKRZSA-N 314.345 -0.077 30 20 DBED CC#CCN1CC[C@H](C)[C@@H](NC(=O)CN2CC(=O)NC2=O)C1 968431726 OSQUZSPUKOGBLE-RYUDHWBXSA-N 306.366 -0.612 30 20 DBED C#CCCN1C[C@H]2CC[C@H]1CN2C(=O)Cn1ccc(O)nc1=O 971571118 IRGDXLVOEIUGCD-QWHCGFSZSA-N 316.361 -0.353 30 20 DBED C=C(C)CN1C[C@H]2CC[C@H]1CN2C(=O)[C@@H]1CCS(=O)(=O)N1 972123211 WLXHVTIQEYQENV-XQQFMLRXSA-N 313.423 -0.071 30 20 DBED C#Cc1ccc(C(=O)N2C[C@H]3[C@H](NC(=O)c4nc[nH]n4)[C@H]3C2)cn1 976980479 HFHHVDLWPPUDAX-ITGUQSILSA-N 322.328 -0.319 30 20 DBED CN(C)C(=O)[C@@H]1CC[C@H](C(=O)NCC2[C@@H]3CN(CC#N)C[C@@H]23)O1 978706299 NXJKPNYMFORDQA-FQUUOJAGSA-N 320.393 -0.560 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)c2cc(C(N)=O)c[nH]2)[C@H]1C 989514307 HBAZTWLIWQFNPA-NGZCFLSTSA-N 317.349 -0.008 30 20 DBED C#CCN1CC[C@@]2(NC(=O)Cn3cnc(C(N)=O)n3)CCC[C@H]12 990767696 YNWHHBCNCVAMHW-NHYWBVRUSA-N 316.365 -0.877 30 20 DBED C[C@@]1(C(=O)N2CC(NC(=O)c3ccc(C#N)[nH]3)C2)CCNC1=O 990893681 TWNZSWRKKPOHGH-OAHLLOKOSA-N 315.333 -0.647 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)c2cn3c(n2)COCC3)C1 994877370 HIXFKDQISVAIAR-VIFPVBQESA-N 303.322 -0.486 30 20 DBED C[C@@H](C#N)C(=O)N1CC(N2C[C@H](NC(=O)C3CC3)CC2=O)C1 995467386 YBQMARHYQIECLR-GXSJLCMTSA-N 304.350 -0.516 30 20 DBED C=CCN1CC[C@H](N[C@@H]2CCCN(C(=O)c3cnn[nH]3)C2)C1=O 999587456 MNQDIWKBKDBGCL-NEPJUHHUSA-N 318.381 -0.214 30 20 DBED CCC(=O)N1CC[C@H](C(=O)NC2CN(C(=O)[C@H](C)C#N)C2)C1 999685201 JNIGBNNFUAXCHB-MNOVXSKESA-N 306.366 -0.268 30 20 DBED N#CCN1CC[C@@H](n2cc(CNC(=O)c3ccnnc3)nn2)C1 1000025151 OTYGMSGKSKTHMU-CYBMUJFWSA-N 312.337 -0.232 30 20 DBED C=CCn1cc(C(=O)N2CC(CNC(=O)c3cc[nH]n3)C2)nn1 1001019540 QLMKAXJLGLQDDS-UHFFFAOYSA-N 315.337 -0.311 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCC1CN(C(=O)Cn2nccn2)C1 1004534027 QEMGYVBDACYLRW-OLZOCXBDSA-N 319.365 -0.556 30 20 DBED C#CCCN1CCC[C@@H](NC(=O)[C@@H]2CN(C(C)=O)CCO2)C1 1009389931 VZZNKILNYKBQKR-CABCVRRESA-N 307.394 -0.162 30 20 DBED CCn1nncc1C(=O)NC1[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]12 1013051259 MFWXLGVXOSERFS-OPRDCNLKSA-N 302.338 -0.356 30 20 DBED C=CCN1CC[C@H](N[C@H]2C[C@H](NC(=O)Cc3nc[nH]n3)C2)C1=O 1020905124 TZBRZIYNLOKRCD-SRVKXCTJSA-N 318.381 -0.629 30 20 DBED C#CCN1CC[C@H]2[C@@H](CCCN2C(=O)Cn2ncn(C)c2=O)C1 1021618004 BKTBXZFSEWFXRH-KBPBESRZSA-N 317.393 -0.472 30 20 DBED C#CCCN1CCC[C@H](CNC(=O)c2cnc(O)n(C)c2=O)C1 1023527975 FURDAPGEIVSWAQ-GFCCVEGCSA-N 318.377 -0.049 30 20 DBED C#CCCN1C[C@H]2[C@H](NC(=O)[C@@]34C[C@H]5C[C@H](C(=O)N3)[C@H]4C5)[C@H]2C1 1025838353 VPFHANDNCYRTAI-RGLALZQTSA-N 313.401 -0.029 30 20 DBED C#CCNC1CCC(NC(=O)CN2CC(=O)N(C)C2=O)CC1 1026592335 XLJLVWGWWUICEP-UHFFFAOYSA-N 306.366 -0.469 30 20 DBED CN(CC#N)[C@H]1CCCN(C(=O)c2cn(C)c(=O)nc2O)C1 1027677379 SLEPMBAATQXUKZ-JTQLQIEISA-N 305.338 -0.454 30 20 DBED C=CCCN1CCC[C@H]1CNC(=O)[C@H]1CCS(=O)(=O)N1 1028324843 DBRXPBVZPCJOTM-NWDGAFQWSA-N 301.412 -0.165 30 20 DBED C=CCN1[C@H]2CC[C@H]1CN(C(=O)[C@H]1CCN(C)S1(=O)=O)C2 1029510483 AHDVHAMPWZYMEA-RWMBFGLXSA-N 313.423 -0.119 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2CCN1C(=O)CCC1=O 1032312662 UHLUNUSPDQEONP-SRVKXCTJSA-N 304.350 -0.420 30 20 DBED C=CCCN1CC[C@@H](N(C)C(=O)CN2CCN(C)C(=O)C2)C1 1033205439 GEAAURLILPOTEZ-CQSZACIVSA-N 308.426 -0.131 30 20 DBED C#CCCN1CC[C@H](N(C)C(=O)CN2CCC(=O)NC2=O)C1 1033556595 FCZYJKVBERDNEF-LBPRGKRZSA-N 306.366 -0.516 30 20 DBED C=CCCN1CC[C@@H](N(C)C(=O)CN2CC(=O)N(C)C2=O)C1 1033578555 XRVKCMKIGDDXQR-GFCCVEGCSA-N 308.382 -0.011 30 20 DBED C[C@H]1CN(C(=O)c2cnc(O)n(C)c2=O)CC[C@@H]1NCC#N 1036140643 LJSRHHPEVWGPRT-ONGXEEELSA-N 305.338 -0.550 30 20 DBED C[C@H]1CN(C(=O)c2cnn3c(=O)cc[nH]c23)CC[C@H]1NCC#N 1036218226 KEAXBXXHABCQCR-CMPLNLGQSA-N 314.349 -0.014 30 20 DBED N#Cc1cc(CN2C[C@H]3C[C@H]2[C@H]3NC(=O)C(N)=O)ccc1F 1037563923 KQYGYNLPPHYJCO-WXHSDQCUSA-N 302.309 -0.128 30 20 DBED CN(C)CCn1cc(C(=O)N[C@@H]2[C@H]3C[C@H]2N(CC#N)C3)cn1 1037621400 XPBGSMSKZNFVJU-IACUBPJLSA-N 302.382 -0.229 30 20 DBED CC#CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)Cc1c(C)nc(O)nc1O 1037635355 NGLHXXPIXPLQRY-OSMZGAPFSA-N 316.361 -0.049 30 20 DBED N#Cc1cc(C(=O)NC[C@H]2CCN2[C@H]2CCC(=O)NC2=O)c[nH]1 1038175935 WONPRBWRISOXLL-NEPJUHHUSA-N 315.333 -0.504 30 20 DBED CC#CCN1CC[C@@H]1CNC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 1038251523 BRMCYUYTTNFMSX-CHWSQXEVSA-N 315.377 -0.024 30 20 DBED C#CCCCC(=O)NC[C@]1(O)CCN(C(=O)Cc2nc[nH]n2)C1 1039576534 RZPYDMXSPRIUEJ-OAHLLOKOSA-N 319.365 -0.770 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@](O)(CNC(=O)c2ncn(C)n2)C1 1039633865 ZSVUEMNBHBXKMX-HNNXBMFYSA-N 321.381 -0.280 30 20 DBED C#CCCCC(=O)N1CC[C@](O)(CNC(=O)c2nc[nH]n2)C1 1040548766 ZYGSWCRDLCOPSU-AWEZNQCLSA-N 305.338 -0.699 30 20 DBED CCn1nncc1C(=O)N1CC[C@@](O)(CNC(=O)[C@@H](C)C#N)C1 1040759651 CGQCUOXSQZAQRR-IINYFYTJSA-N 320.353 -0.849 30 20 DBED N#CCN1CCC2(CC1)CCN(C(=O)[C@@H]1CC(=O)NC(=O)N1)C2 1040867461 FJFVYHGYPGWIOK-NSHDSACASA-N 319.365 -0.577 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)c2ccns2)C1 1042053021 YJQVVEHKZBRFOS-UHFFFAOYSA-N 311.363 -0.351 30 20 DBED Cc1c(C(=O)NCC2(O)CN(C(=O)C#CC(C)C)C2)nnn1C 1042281002 ZPWBAGVHQNBAMJ-UHFFFAOYSA-N 319.365 -0.914 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)c2[nH]c(O)nc2C)C1 1042800907 BSRXCNNNYSFJLQ-UHFFFAOYSA-N 320.349 -0.470 30 20 DBED C=CCCCC(=O)N1CC(O)(CNC(=O)[C@H]2CCCC(=O)N2)C1 1043514461 PBHFFVQTKZXZJB-GFCCVEGCSA-N 323.393 -0.299 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)C2(C)CCC2)C1 1044536501 KIEGUXRRHYWOOF-UHFFFAOYSA-N 308.378 -0.094 30 20 DBED CC#CCN1CC[C@@H](N2CCN(C(=O)c3nnn(C)n3)CC2)C1 1046054174 IYNOCSKKKYBUKB-CYBMUJFWSA-N 317.397 -0.935 30 20 DBED C=C[C@H](C)[C@H](C)C(=O)N1CC(O)(CNC(=O)Cn2cncn2)C1 1046874610 APMDCGBKFIACBL-RYUDHWBXSA-N 321.381 -0.574 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2COc3ccccc3O2)C1 1047618561 GSCXXKUDWOCNFI-XEZPLFJOSA-N 316.357 -0.037 30 20 DBED C#CCCN1CC[C@H]2[C@H]1CCCN2C(=O)c1nnc(O)nc1O 1049572819 OLGHOQBEIHYSRU-MNOVXSKESA-N 317.349 -0.015 30 20 DBED C#CCCN1CC[C@@H]2[C@H]1CCCN2C(=O)CN1CCNC(=O)C1 1049639317 OSWORMODDITZRE-HUUCEWRRSA-N 318.421 -0.493 30 20 DBED CN1CC(=O)N(CC(=O)N2CCC[C@H]3CN(CC#N)C[C@H]32)C1=O 1050198146 AMCBHWWPEMSFDC-NWDGAFQWSA-N 319.365 -0.673 30 20 DBED C=C(C)CCN1CCOC[C@H]1CNC(=O)C1CC(=O)NC(=O)C1 1051164832 YVWANUMOCYMKHK-CYBMUJFWSA-N 323.393 -0.178 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2COCCN2CCCO)cn1 1051217952 XTCOETXOXAQNSS-OAHLLOKOSA-N 303.362 -0.124 30 20 DBED C=C(C)CN1CCN([C@H]2CCN(C(=O)[C@@H]3CCNC3=O)C2)CC1 1052059301 GJKIOHMJBYRCTA-LSDHHAIUSA-N 320.437 -0.083 30 20 DBED C#CCCN1CCN([C@H]2CCN(C(=O)[C@@H]3CCNC3=O)C2)CC1 1052060196 ZNBAXMOAKBIXFS-LSDHHAIUSA-N 318.421 -0.636 30 20 DBED N#CCN1CCN([C@@H]2CCN(C(=O)C34CCN(CC3)C4)C2)CC1 1052107944 ICMDWCKUQAAXGP-OAHLLOKOSA-N 317.437 -0.176 30 20 DBED C#CCCN1CCC[C@@H](NC(=O)CN2CCOCC2=O)CC1 1052447370 COJMOEMVIZMNQN-CQSZACIVSA-N 307.394 -0.161 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)[C@H]3CC(=O)N(C)C3)CO2)C1 1053822944 ZHJZSKHJKJIGJY-QWHCGFSZSA-N 305.378 -0.553 30 20 DBED N#CCN1CC[C@]2(CCCN(C(=O)CN3CC(=O)NC3=O)C2)C1 1054215552 XZZOTYNDZBZMPH-OAHLLOKOSA-N 319.365 -0.624 30 20 DBED C=C[C@@H](C)[C@H](C)C(=O)NCCN1CCC(NC(=O)C(N)=O)CC1 1055618150 FTDDWXCNCWVQEY-NEPJUHHUSA-N 324.425 -0.373 30 20 DBED N#Cc1cncc(N2CCN(C(=O)[C@@H]3COC(=O)N3)CC2)n1 1055786038 VQFQDEIKSZETPG-JTQLQIEISA-N 302.294 -0.895 30 20 DBED N#Cc1cnc(N2C[C@H]3[C@H](NC(=O)Cn4cncn4)[C@H]3C2)cn1 1056218337 VIDJFCWTKOOPFN-YABSGUDNSA-N 310.321 -0.809 30 20 DBED C=CCOCC(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)CC(N)=O 1056325404 RVHQYBXRDYRBEI-NWDGAFQWSA-N 309.366 -0.344 30 20 DBED C[C@@]1(C(=O)N2CC[C@@H](Nc3cncc(C#N)n3)C2)CNC(=O)C1 1056738556 IHVMFKNVIJXQIV-BMIGLBTASA-N 314.349 -0.113 30 20 DBED C=CCn1cc(C(=O)NCCN(CCO)C(=O)CCC)nn1 1056804426 FFISRHSBSQGKNJ-UHFFFAOYSA-N 309.370 -0.185 30 20 DBED C=CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)c1cnc(C)[nH]1 1057210571 MRFZLCSGRRKWAN-NSHDSACASA-N 324.381 -0.140 30 20 DBED N#Cc1cnccc1N1CCCN(C(=O)[C@@H]2CNC(=O)N2)CC1 1057216309 NHYDPZJOIMGSOA-LBPRGKRZSA-N 314.349 -0.327 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)C[C@@](C)(O)C1CC1 1057375921 ASMLBIXEQORRCL-XHDPSFHLSA-N 311.382 -0.366 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)[C@@H](C)n1cncn1 1057439587 SONLOHLLCLKLDR-CYBMUJFWSA-N 321.381 -0.420 30 20 DBED COc1cc(C(=O)NCCN(CCO)C(=O)C#CC2CC2)on1 1057531679 UWPRIEKFXUYYLP-UHFFFAOYSA-N 321.333 -0.353 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)[C@@H]1CCC(=O)NC1 1058052488 PTXBCDJCDDBKQG-CYBMUJFWSA-N 323.393 -0.747 30 20 DBED CCc1n[nH]cc1C(=O)N(CCO)CCNC(=O)[C@H](C)C#N 1058053378 BOAFWDPHGACYJP-SNVBAGLBSA-N 307.354 -0.318 30 20 DBED Cn1cnc(C(=O)N[C@@H]2CCCN(c3cnc(C#N)cn3)C2)n1 1058154064 TVSMVAOCYVTRMU-SNVBAGLBSA-N 312.337 -0.124 30 20 DBED N#Cc1cnc(N2CC[C@@H](NC(=O)c3cncnc3O)C2)cn1 1058476323 PWQWUDMGWGHFJJ-SECBINFHSA-N 311.305 -0.147 30 20 DBED C=CCCCC(=O)NCCN(CCO)C(=O)c1c[nH]c(=O)cn1 1058603120 IHIWYDIKPYOGEL-UHFFFAOYSA-N 322.365 -0.323 30 20 DBED C=CCOCC(=O)N1CC[C@@H](CCNC(=O)c2ncn(C)n2)C1 1059335257 QMEGUUFFMSTRQS-GFCCVEGCSA-N 321.381 -0.014 30 20 DBED O=C(Cn1ncnn1)NCC[C@@H]1CCN(C(=O)C#CC2CC2)C1 1059622837 QDUGLLZLTNVINA-CYBMUJFWSA-N 316.365 -0.559 30 20 DBED C#Cc1cncc(C(=O)NCC[C@H]2CCN(C(=O)C(N)=O)C2)c1 1060275986 VQFLVGWFMUBJGO-LBPRGKRZSA-N 314.345 -0.483 30 20 DBED Cn1nncc1C(=O)N1CC[C@H](CN=c2cc[nH]c(C#N)n2)C1 1060865345 PPAAFCNADUDWLB-SNVBAGLBSA-N 312.337 -0.527 30 20 DBED N#Cc1ccc(NC[C@@H]2CCN(C(=O)Cn3ncnn3)C2)cn1 1060927237 KRCVDLHSPXUUCM-NSHDSACASA-N 312.337 -0.100 30 20 DBED N#Cc1cnccc1N1CCC[C@H]1CNC(=O)[C@H]1CNC(=O)N1 1061440393 DVNKGRUHEMKSQM-NWDGAFQWSA-N 314.349 -0.280 30 20 DBED Cc1c(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccnc(C#N)n2)nnn1C 1062461568 UOONLTZPTIRIIH-QWRGUYRKSA-N 324.348 -0.112 30 20 DBED CN(C(=O)Cn1cnnn1)[C@H]1CCN(c2ncccc2C#N)C1 1062876979 OGTKWSBURMKAOO-LBPRGKRZSA-N 312.337 -0.323 30 20 DBED C#CCO[C@H](C)C(=O)NC1(CNC(=O)c2ncn(C)n2)CCC1 1062929294 FUGRREJACFKKFD-LLVKDONJSA-N 319.365 -0.378 30 20 DBED C=CCOCC(=O)NC1(CNC(=O)C(=O)NCC2CC2)CCC1 1064238936 SZLNVOOPVSHKNJ-UHFFFAOYSA-N 323.393 -0.130 30 20 DBED C#CCNC(=O)CC(=O)N1CCO[C@@H](CNC(=O)[C@@H](C)CC)C1 1065064176 USQCWYRKHSNPPG-STQMWFEESA-N 323.393 -0.484 30 20 DBED COCCOCC(=O)NC[C@@H]1CN(C(=O)C#CC2CC2)CCO1 1065133906 BBLBKGZQMPEOSC-CQSZACIVSA-N 324.377 -0.594 30 20 DBED C=CCC1(C(=O)N2CCO[C@H](CNC(=O)C(N)=O)C2)CCC1 1065582242 YJHZBBQHOOTRDY-LLVKDONJSA-N 309.366 -0.438 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(C(=O)Cc2cnc[nH]2)CCO1 1065671403 DLIDWHYYGSVLPN-AWEZNQCLSA-N 316.361 -0.291 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@H](CNc2ccc3nnnn3n2)C1 1066603472 ZHCXELHRFAXPRL-VHSXEESVSA-N 316.325 -0.682 30 20 DBED CCC1(NC(=O)[C@H](C)C#N)CCN(C(=O)Cn2cnnn2)CC1 1069161718 WSLUAXYIGRIOTH-LLVKDONJSA-N 319.369 -0.280 30 20 DBED Cn1cc(CC(=O)N[C@@H]2CN(CC#N)C[C@@H]2n2ccnn2)cn1 1069901524 IROKHYRHVTZSIZ-OLZOCXBDSA-N 314.353 -0.881 30 20 DBED Cc1ncc(C(=O)N2C[C@H](n3ccnn3)[C@H](NCC#N)C2)n1C 1070260288 BECRCYQGWCWWKZ-YPMHNXCESA-N 314.353 -0.501 30 20 DBED C=CCN1C[C@H]2C[C@@H]3CN(C(=O)[C@@H]4COC(=O)N4)C[C@@]3(C1)O2 1070793446 ILJMCSSSYKNECC-MCYUEQNJSA-N 307.350 -0.418 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)C2CCC(O)CC2)CC1 1070958670 MOYUNAIOZDRCCD-UHFFFAOYSA-N 321.421 -0.179 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)Cc2ncc[nH]2)CC1 1071010476 MTQWTSMCBKTUBC-UHFFFAOYSA-N 305.382 -0.211 30 20 DBED C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1NC(=O)CC(N)=O 1071917708 FMGWAGXJCJNLMH-KCJUWKMLSA-N 303.322 -0.662 30 20 DBED C[C@@H]1CC[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)CN1CC#N 1072055692 XNYHUEMNOUCUBY-GHMZBOCLSA-N 307.354 -0.627 30 20 DBED C=CCOCC(=O)NC1(C)CCN(C(=O)Cn2cnnn2)CC1 1072863470 SEGCQZKVESQFNR-UHFFFAOYSA-N 322.369 -0.627 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CCN(C(=O)CNC(N)=O)CC1(C)C 1073483615 ZIIZSMHCIMZUMQ-NXEZZACHSA-N 309.370 -0.442 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)c2cccc(C(N)=O)n2)C1 1073905247 ZKRASXNPNIDBBU-LBPRGKRZSA-N 316.361 -0.366 30 20 DBED C=C1CC(C)(C(=O)NCC2(O)CCN(C(=O)CC(N)=O)CC2)C1 1074526083 KHGCMWAKDGCZRD-UHFFFAOYSA-N 323.393 -0.312 30 20 DBED C=C[C@@H](C)[C@H](C)C(=O)N1CCC(O)(CNC(=O)C(N)=O)CC1 1074679654 CFYHSVJPOBGDAG-MNOVXSKESA-N 311.382 -0.600 30 20 DBED C#CCO[C@@H](C)C(=O)NCC[C@H](C)NC(=O)C1(C(N)=O)CC1 1076509424 XGDFKHQZUMYUGC-QWRGUYRKSA-N 309.366 -0.699 30 20 DBED CNS(=O)(=O)CCC(=O)NCC[C@H](C)NC(=O)[C@@H](C)C#N 1076514844 JZKZDLGPGVLJID-UWVGGRQHSA-N 318.399 -0.904 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2ncoc2[C@H]2CCCO2)C1 1077508405 YQANVIRMNZOAHX-GMTAPVOTSA-N 306.322 -0.175 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(Cc2cnsn2)C[C@H]1O 1077694164 GXEOMQQGVGEZED-LPWJVIDDSA-N 324.406 -0.210 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)c2cn(C)c(=O)nc2O)C1 1078169826 IFUXNUUAJIXCPL-VXGBXAGGSA-N 322.365 -0.773 30 20 DBED C#Cc1cncc(C(=O)NCC[C@H](C)NC(=O)CNC(N)=O)c1 1078287337 GKGUFDFYNUQXGT-JTQLQIEISA-N 317.349 -0.644 30 20 DBED C=C[C@@](C)(O)CC(=O)N(CC)C1CN(C(=O)c2cnn(C)n2)C1 1079684758 QMLACQFKVJUSNQ-OAHLLOKOSA-N 321.381 -0.185 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)c2cnco2)C[C@@H]1O 1081463279 KZHUZLVFHKPSOK-NEPJUHHUSA-N 305.334 -0.117 30 20 DBED CC#CCCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2nc[nH]n2)C1 1081658661 XVFQQNBCQKZWBN-NWDGAFQWSA-N 319.365 -0.453 30 20 DBED C#CCN1C[C@@H](NC(=O)Cn2cccc(C)c2=O)[C@H](OC)C1 1081661935 DOMQGHYUGZHRAR-ZIAGYGMSSA-N 303.362 -0.395 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1cnc2[nH]cnc2c1 1081742881 ADCUEOVOWQXZAY-VXGBXAGGSA-N 300.322 -0.090 30 20 DBED Cc1cc(=O)c(C(=O)N2CCO[C@@H]3CN(CC#N)C[C@@H]32)c[nH]1 1083238970 MMEZBTXYWWTINT-GXTWGEPZSA-N 302.334 -0.268 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CCN(C(C)=O)C1 1083260849 SLCBMARRRACRNI-HRCADAONSA-N 319.405 -0.210 30 20 DBED C=CCN1CC[C@@H](N2C[C@H](O)[C@H](NC(=O)C3CC=CC3)C2)C1=O 1083380033 IUCBQIAWLRHWPV-KFWWJZLASA-N 319.405 -0.099 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)c2cccnc2OCC#C)C1 1083967543 MIIWVPRUPSHRJD-CABCVRRESA-N 313.357 -0.108 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)Cn2c(=O)oc3ccccc32)C1 1084047705 SDMDXXKMGVNXPD-YPMHNXCESA-N 317.345 -0.058 30 20 DBED CC#CCN1CC[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)[C@H]1CC 1087606541 CZRZAYHXKMBYEN-SDDRHHMPSA-N 306.366 -0.423 30 20 DBED C#CCN[C@H]1CCCCCN(C(=O)CN2CC(=O)N(C)C2=O)C1 1088412966 UUVDCPCBCGGXSD-ZDUSSCGKSA-N 320.393 -0.126 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2ccn(C)c(=O)c2)[C@@H](O)C1 1090367515 GYKVTJLQUOIAHZ-KGLIPLIRSA-N 303.362 -0.426 30 20 DBED N#CCN1CC[C@H](NC(=O)c2cnc3n2CCCC3)[C@H](O)C1 1090513930 DXFQKIBGLTWITA-WCQYABFASA-N 303.366 -0.092 30 20 DBED N#Cc1ccccc1CN1CC[C@H](NC(=O)C(N)=O)[C@H](O)C1 1090534853 QQAYEFRUANQYOK-QWHCGFSZSA-N 302.334 -0.905 30 20 DBED C=CCCn1cc(C(=O)N[C@@H]2CCN(CCOC)C[C@H]2O)nn1 1090638118 OCGUSVAKIZFHBN-TZMCWYRMSA-N 323.397 -0.334 30 20 DBED C=CCN1CC[C@H](NC(=O)Cc2nc(C3CC3)nn2C)[C@@H](O)C1 1090825214 XDFGAIUVPROKSS-STQMWFEESA-N 319.409 -0.028 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@@H]1O 1091153217 WKZHIFCCVHVGFE-RTXFEEFZSA-N 315.333 -0.948 30 20 DBED CN(CCOCCN(C)c1ccncc1C#N)C(=O)CC(N)=O 1091887174 HTNIVAZFIPUFCW-UHFFFAOYSA-N 319.365 -0.260 30 20 DBED C=CCN1CCN(C(=O)[C@H]2CCOC2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094613191 GTCBTBUDTXMNGF-RWMBFGLXSA-N 314.407 -0.481 30 20 DBED CC#CCN1CC(N2C[C@@H](NC(=O)[C@@H]3CCN(C)C3)CC2=O)C1 1094815407 SBDKZMLPEWGGQB-KGLIPLIRSA-N 318.421 -0.637 30 20 DBED COCC(=O)N(C)CC(=O)NCCCNc1cnc(C#N)cn1 1094850213 SZBCQUFMTPDIRS-UHFFFAOYSA-N 320.353 -0.629 30 20 DBED C[C@H](NC(N)=O)C(=O)N1CCC(Nc2cnc(C#N)cn2)CC1 1095225224 GCFBSHJWMWKGLO-VIFPVBQESA-N 317.353 -0.192 30 20 DBED CNC(=O)NCCC(=O)N1CC[C@H](N=c2cc[nH]c(C#N)n2)C1 1096933008 VYHLMSFEQJRWNG-JTQLQIEISA-N 317.353 -0.898 30 20 DBED C[C@@H](CNC(=O)C1CC(=O)NC(=O)C1)Nc1ccc(C#N)cn1 1097937575 ZJTVYSLRSZODGX-VIFPVBQESA-N 315.333 -0.077 30 20 DBED C[C@@H](CNC(=O)[C@H]1CN(C)C[C@@H](C)O1)Nc1nccnc1C#N 1098362673 GCJKTEQHCHCING-DMDPSCGWSA-N 318.381 -0.016 30 20 DBED C=CCCNCc1cn([C@@H]2CCN(C(=O)CC(N)=O)C2)nn1 1098640738 LYICGOWKGFMKII-GFCCVEGCSA-N 306.370 -0.407 30 20 DBED Cc1cc(C#N)nc(N[C@@H](C)CCNC(=O)Cn2ncnn2)n1 1099553537 ODTRERCVXRPVMT-VIFPVBQESA-N 315.341 -0.350 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(Cc2cn(C)nn2)C[C@H]1O 1099737636 BFZZMLMTBKJJOX-QWHCGFSZSA-N 309.370 -0.931 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)c2cnc(O)n2C)[C@H](O)C1 1099944375 MVJYMPRKOIWXKH-DGCLKSJQSA-N 324.381 -0.507 30 20 DBED CC#CCN1CC[C@H](NC(=O)C(C)(C)S(C)(=O)=O)[C@H](O)C1 1100022070 GVJABGCRWVXOAQ-NWDGAFQWSA-N 316.423 -0.616 30 20 DBED C#CCCN1CC[C@H](NC(=O)CCNC(=O)C2CCC2)[C@H](O)C1 1100032111 OZKTXLDRQMMTBF-LSDHHAIUSA-N 321.421 -0.133 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)Cn2ccnc2)[C@H](O)C1 1100136274 KKEGJKHYDMYBSS-ZIAGYGMSSA-N 308.382 -0.363 30 20 DBED C[C@@H](C(=O)NCCN(C)c1ncccc1C#N)S(C)(=O)=O 1100394362 ZHBNVYCOVAEFBO-JTQLQIEISA-N 310.379 -0.061 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)C2(N(C)C)CCC2)C1 1100404698 PAQAGMLUPFLGDC-UHFFFAOYSA-N 320.437 -0.296 30 20 DBED N#Cc1cnc(N(CCNC(=O)Cc2nc[nH]n2)C2CC2)cn1 1101385537 ZRJUFEMVSLETHN-UHFFFAOYSA-N 312.337 -0.206 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H](C)[C@H](CNC(=O)CNC(C)=O)C1 1101686392 VSVZZIWYTVOILL-MBNYWOFBSA-N 324.425 -0.503 30 20 DBED CN(CCNc1cnc(C#N)cn1)C(=O)c1nc2ncccn2n1 1101723399 ATMWBAHZQROJAE-UHFFFAOYSA-N 323.320 -0.030 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)[C@H]1CCC(=O)N1C 1101914673 OJJNJOVNDDCVGZ-SNVBAGLBSA-N 302.338 -0.739 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)c2[nH]nnc2C)C1 1102210836 UIZOCDZSIRXIOQ-ZYHUDNBSSA-N 318.381 -0.840 30 20 DBED CC#CCN1C[C@@H](C)[C@H](CCNC(=O)CN2CCNC(=O)C2)C1 1103308688 CPJHLXHSHWMKFT-HUUCEWRRSA-N 320.437 -0.484 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)C[C@@H]1CCC(=O)N1 1104012240 CYDWLSYJGZAPLO-QWRGUYRKSA-N 316.365 -0.397 30 20 DBED C=CCCO[C@@H](C)C(=O)N1CC(n2cc(CNCCO)nn2)C1 1105188156 QDVZJCPPEIQENY-LBPRGKRZSA-N 323.397 -0.276 30 20 DBED CNC(=O)NCC(=O)NC[C@H](Nc1ccc(C#N)nn1)C(C)C 1105298638 NMSXTYTWAHQUHZ-NSHDSACASA-N 319.369 -0.170 30 20 DBED CC#CCNCc1cn(C2CN(C(=O)[C@@H](C)CC(N)=O)C2)nn1 1105301168 JUUIUFMDXPWNSS-NSHDSACASA-N 318.381 -0.714 30 20 DBED CN(CCN(C)c1ncccc1C#N)C(=O)[C@H]1C[C@H]1C(N)=O 1105559816 SGBYVXAYXVFPSO-NEPJUHHUSA-N 301.350 -0.031 30 20 DBED Cn1cc(CC(=O)NC[C@@H](O)CNc2ccc(C#N)nc2)cn1 1105782183 IUNIHNGZJHLGNU-AWEZNQCLSA-N 314.349 -0.182 30 20 DBED CNC(=O)C1(C(=O)NC[C@H](O)CNc2ncccc2C#N)CC1 1105895080 BHUSTMSVZLMPAQ-LLVKDONJSA-N 317.349 -0.632 30 20 DBED Cc1ccc(C#N)c(NC[C@H](O)CNC(=O)c2cnon2)n1 1105928958 VYEHVZLNBASVCO-JTQLQIEISA-N 302.294 -0.153 30 20 DBED N#Cc1nc(=NC[C@@H](O)CNC(=O)c2cc(F)c[nH]2)cc[nH]1 1106024028 JSWZIGNDISLYRY-SECBINFHSA-N 304.285 -0.560 30 20 DBED CN(C)CCCC(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1 1106076082 OLGSHMGWENEFLA-NSHDSACASA-N 306.370 -0.999 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H](O)CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 1106110650 WKVMFWVSYBJEKP-JLNYLFASSA-N 316.361 -0.168 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](O)CNC(=O)[C@H]2OCC[C@H]2C)n1 1106121983 ORXSFNLTXXXWTM-ICCXJUOJSA-N 319.365 -0.029 30 20 DBED C[C@@H]1CN(C(=O)C(=O)NCC(F)(F)F)C[C@H]1CNCC#N 1106813253 VGSYEUBLSSKLEZ-RKDXNWHRSA-N 306.288 -0.127 30 20 DBED CC(=O)N(C)CC(=O)NC/C=C/CNc1cncc(C#N)n1 1107038874 HSBMSRFQLPRRRJ-ONEGZZNKSA-N 302.338 -0.089 30 20 DBED CN1CC[C@@H](C(=O)NC/C=C\CNc2nccnc2C#N)C1=O 1107460585 XMWOCMJEEUTWSV-QUCGXOGASA-N 314.349 -0.089 30 20 DBED C[C@H](CNc1cnc(C#N)cn1)NC(=O)CCn1ccnn1 1107695950 WNHJZHHQJGSDPJ-SNVBAGLBSA-N 300.326 -0.053 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)[C@@H](C)N2C(=O)CCC2=O)C1 1107983044 FVXYQTRBZCJCMJ-MLGOLLRUSA-N 321.377 -0.636 30 20 DBED C[C@H](CNc1cncc(C#N)n1)NC(=O)CC1CS(=O)(=O)C1 1107996204 KMAYIPZRVWZFAV-SECBINFHSA-N 323.378 -0.300 30 20 DBED C=CCn1cccc1C(=O)NC[C@]1(C)CN(CC(N)=O)CCO1 1107999117 XSQPUMKKHJUDSY-MRXNPFEDSA-N 320.393 -0.020 30 20 DBED C[C@H](CNc1ccc(C#N)nc1)NC(=O)[C@H]1CN(C)C(=O)N1 1108041631 ZBSNMYBJIZHZCT-BXKDBHETSA-N 302.338 -0.107 30 20 DBED C#Cc1cncc(C(=O)NC[C@]2(C)CN(CCO)CCO2)c1 1108203126 WBCKTWWLCVCIOA-MRXNPFEDSA-N 303.362 -0.124 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)[C@@H]2CN(CC)CCO2)C1 1108409940 MNROWRUQOOULJO-HOCLYGCPSA-N 309.410 -0.453 30 20 DBED C[C@H](NC(N)=O)C(=O)N[C@H](C)CN(C)c1nccnc1C#N 1108915256 HRIKQSDGSDVONX-BDAKNGLRSA-N 305.342 -0.654 30 20 DBED CC[C@@H](NC(C)=O)C(=O)N(C)CCCN=c1cc[nH]c(C#N)n1 1109635189 QCRZFVQGVFSBNI-GFCCVEGCSA-N 318.381 -0.055 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)COCCN(C)C 1109977435 IYVJIUGIEWSNGV-PMPSAXMXSA-N 323.437 -0.064 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(Nc2ccc3nnnn3n2)CC1 1110236587 PJFVDYPLPFWSJN-JTQLQIEISA-N 315.337 -0.382 30 20 DBED CC(=O)NCC(=O)N1CCC[C@H]1CNc1cncc(C#N)n1 1110527381 NOTKRBWTAPURDQ-LBPRGKRZSA-N 302.338 -0.113 30 20 DBED CCNC(=O)CC(=O)N[C@]1(C)CCN(c2ccnc(C#N)n2)C1 1110743979 RFQSZDDJEIMFBC-OAHLLOKOSA-N 316.365 -0.041 30 20 DBED C=C(C)CN(CC)C(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C(N)=O 1110963272 VUAPEHRFFICYRM-UPJWGTAASA-N 322.409 -0.382 30 20 DBED N#CCNC(=O)CN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCCO2)C1 1111574806 UIBCORSMQKGXGC-XEZPLFJOSA-N 320.393 -0.224 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1COCCN1c1ncnc2[nH]cnc12 1111663441 WCXPHVUBKRKQAE-UWVGGRQHSA-N 315.337 -0.166 30 20 DBED N#Cc1cnc(NCC2(NC(=O)CC(N)=O)CCOCC2)cn1 1112245230 ITZNMTFCNSCQIS-UHFFFAOYSA-N 318.337 -0.699 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)c2nnn(C)c2C)CC1 1112738940 RJNIZMVJGIVDOG-LBPRGKRZSA-N 318.381 -0.981 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)c2cn(C)c(O)n2)CC1 1113298012 RXOKWUABBXDTSN-LLVKDONJSA-N 319.365 -0.979 30 20 DBED C=CCN1CC[C@@H](N2CCN(C(=O)CC(=O)N(C)C)CC2)C1=O 1113414039 CZPRAGNEYPBHSO-CYBMUJFWSA-N 322.409 -0.604 30 20 DBED C=CCOCCN1CCN(C(=O)c2cn(C)c(=O)nc2O)CC1 1113628101 KBMJPNWJIDCRIL-UHFFFAOYSA-N 322.365 -0.554 30 20 DBED C[C@@H](CNC(=O)c1c[nH]c(=O)cn1)N(C)c1cnc(C#N)cn1 1113850417 ZUUXPJQYJNXQNP-VIFPVBQESA-N 313.321 -0.314 30 20 DBED C#CCOCCC(=O)N[C@H]1[C@@H]2CN(CCS(C)(=O)=O)C[C@@H]21 1114266267 NHNNPSMQWBVEIY-IMRBUKKESA-N 314.407 -0.883 30 20 DBED C=CCOCCN1C[C@H]2C(NC(=O)C(=O)NCC(F)F)[C@@H]2C1 1114508037 QOMQJBSUZZYGMJ-NXEZZACHSA-N 317.336 -0.383 30 20 DBED N#Cc1nccnc1N1C[C@@H]2C(CNC(=O)Cc3nc[nH]n3)[C@H]2C1 1114571042 BUVPCHSYIBMWKE-GHMZBOCLSA-N 324.348 -0.493 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1[C@@H]2CN(CC(=O)NC)C[C@@H]21 1114932311 IBNHLFBZEUUXHR-SFDCQRBFSA-N 322.409 -0.750 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3ccc(O)nc3)[C@H]2C1 1115193144 ZSZBHXNBJYEILJ-RYUDHWBXSA-N 314.345 -0.803 30 20 DBED CN(CCOCCNC(=O)c1nc[nH]n1)c1ccc(C#N)nc1 1115226251 RTBHFTMDCPSZCR-UHFFFAOYSA-N 315.337 -0.046 30 20 DBED N#Cc1cncc(NCCCOCCNC(=O)c2nc[nH]n2)n1 1115417365 DIHUAALKUWOLDE-UHFFFAOYSA-N 316.325 -0.285 30 20 DBED CN(C)C[C@@H]1CCN(C(=O)C(=O)NC2CCN(CC#N)CC2)C1 1116953718 SHYIEHAGSXRJCH-ZDUSSCGKSA-N 321.425 -0.499 30 20 DBED COCCn1cc(CNC(=O)C(=O)N2CCC(C#N)CC2)cn1 1117513473 AAWHOWXTWAZBCC-UHFFFAOYSA-N 319.365 -0.092 30 20 DBED C[C@H](CN(C)C(=O)[C@]1(C)CCC(=O)N1)N=c1cc[nH]c(C#N)n1 1120586785 MVFTZHBSPHPCHC-BMIGLBTASA-N 316.365 -0.302 30 20 DBED Cc1cnoc1C(=O)NC[C@@H](CO)N=c1cc[nH]cc1C#N 1122002678 GGPDKSNTDMIVMD-NSHDSACASA-N 301.306 -0.126 30 20 DBED N#Cc1cccnc1N[C@@H](CO)CNC(=O)CCCCC(N)=O 1122045779 WTNDTIBZIHJNIR-GFCCVEGCSA-N 319.365 -0.112 30 20 DBED Cc1cncn1CC(=O)NC[C@H](CO)Nc1cnc(C#N)cn1 1122238783 KHUNLDFTRKVNQU-GFCCVEGCSA-N 315.337 -0.558 30 20 DBED CN1CCCC[C@H]1C(=O)NC[C@H](CO)N=c1cc[nH]cc1C#N 1122340713 BQOICSANSVWOAY-HIFRSBDPSA-N 317.393 -0.252 30 20 DBED CNC(=O)CC(=O)N[C@H]1CCCN(c2cnc(C#N)cn2)[C@H]1C 1123537279 GTBOIQPEOXSYKN-JQWIXIFHSA-N 316.365 -0.042 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)c1cnccn1 1124045641 HSOFTYORUIPWTJ-JTQLQIEISA-N 313.321 -0.895 30 20 DBED COc1ccc(CNCCNC(=O)Cn2ncnn2)cc1C#N 1127433321 LJIGLSILKFRVNX-UHFFFAOYSA-N 315.337 -0.541 30 20 DBED C=CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H](C)NC(C)=O)C1 1128653346 XSSHEOCNGRSWQP-BNOWGMLFSA-N 320.397 -0.280 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@H](n2ccnn2)[C@H](NCCF)C1 1129829885 ONOZGJVLNKPLKW-XQQFMLRXSA-N 309.345 -0.373 30 20 DBED C[C@@H]1CCc2nc(C(=O)NCCNCC(=O)NCC#N)cn2C1 1130221254 BEOYZYIQXLPUPW-LLVKDONJSA-N 318.381 -0.575 30 20 DBED C#CCN1CCOC[C@H]1c1n[nH]c(CNC(=O)CC(C)(C)O)n1 1130843795 YETNDEPZXWSPMF-NSHDSACASA-N 321.381 -0.412 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)[C@@H](CC)NC(C)=O)C[C@@]3(C1)O2 1131273542 IWARRNULAFNKRC-KLZNWCGWSA-N 319.405 -0.164 30 20 DBED C=CCCCN1CCNC(=O)CCN(C(=O)CNC(C)=O)CC1 1131323046 MRKZATUUXBYHBQ-UHFFFAOYSA-N 324.425 -0.261 30 20 DBED C=CCOCC(=O)N1CC[C@@H](C)[C@@H](CNCc2nnn(C)n2)C1 1132705362 LGBAXFOXCQUZDB-OLZOCXBDSA-N 322.413 -0.013 30 20 DBED C=CCOCC(=O)N[C@H](C)C[C@@H](C)NCCNS(C)(=O)=O 1133913743 WAFAGVJPANYUSG-VXGBXAGGSA-N 321.443 -0.389 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1cnn2cc(C)cnc12 1134544073 RUBINLUVRACHAN-UHFFFAOYSA-N 316.365 -0.341 30 20 DBED N#CCNC(=O)CN1CCC2(C1)CN(C(=O)[C@@]1(F)CCOC1)C2 1148138173 QCIZEKDDMDXQCR-OAHLLOKOSA-N 324.356 -0.711 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)CCCC(=O)N(C)C 1148217134 NLTHULPMOLCSQK-LBPRGKRZSA-N 312.414 -0.359 30 20 DBED C#CCNC(=O)CC(=O)NCCCN[C@H](C)c1nncn1C 1156848332 YISULNQXLKFMNH-LLVKDONJSA-N 306.370 -0.889 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)CN1CCCC1 1156927628 NPYNYBFXPQZIDG-CQSZACIVSA-N 308.426 -0.342 30 20 DBED N#CCNC(=O)CNCCCNC(=O)c1cncc2nc[nH]c12 1158479745 QTHRIFKSJVNGMI-UHFFFAOYSA-N 315.337 -0.693 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)[C@H]2CCCC(=O)N2)C1=O 1160571448 SBUQVTNPWHHTIL-OLZOCXBDSA-N 322.409 -0.462 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)[C@H]1CCCC(=O)N1 1160585298 ZPKFAMHMKPJBER-NWDGAFQWSA-N 310.398 -0.558 30 20 DBED Cn1c(O)ncc(C(=O)NCCC2=CCN(CC#N)CC2)c1=O 1160845597 NKFZBXBZUXXAKJ-UHFFFAOYSA-N 317.349 -0.239 30 20 DBED C#CCCN1CCC(CNC(=O)c2nnn(C)n2)(COC)CC1 1162420105 YNXCJLKEYPMCGB-UHFFFAOYSA-N 320.397 -0.308 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@H]1CCCc2nc[nH]c21 1166407919 CXAZEELSZHRBPJ-LBPRGKRZSA-N 317.393 -0.325 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCCCNCc1nc(=O)n(C)[nH]1 1166983048 VJBLUYZIJSGNHW-MNOVXSKESA-N 309.370 -0.705 30 20 DBED Cc1n[nH]c(C)c1[C@@H](C)C(=O)NCCCNCC(=O)NCC#N 1168588796 ZHGWUJQCQQONPX-SNVBAGLBSA-N 320.397 -0.134 30 20 DBED C=CCNC(=O)CNCCCNC(=O)c1cnn2cc[nH]c12 1174613747 WPBVGKGSSMKJDX-UHFFFAOYSA-N 304.354 -0.326 30 20 DBED C[C@@H]1CN(C(=O)Cn2ccc(O)nc2=O)C[C@@]1(C)CNCC#N 1182037950 HNPCEVXNLMHTCF-IAQYHMDHSA-N 319.365 -0.453 30 20 DBED N#CCNC(=O)CN[C@@H]1CCN(C(=O)Cc2ccc(O)nc2)C1 1184361419 KSIBUSRLVWUECH-GFCCVEGCSA-N 317.349 -0.840 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)[C@H]2CCNC(=O)CC2)C1 1184602442 XAJCQDFSJGFIOJ-ZIAGYGMSSA-N 307.394 -0.257 30 20 DBED C=CCCCN[C@@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 1187887465 AQLQNCCZNADCRD-NEPJUHHUSA-N 301.412 -0.165 30 20 DBED CC[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](N(C)CC(=O)NCC#N)C1 1191460827 XOYGNFUDRDQLJE-MJBXVCDLSA-N 322.409 -0.026 30 20 DBED CCN(CC)S(=O)(=O)CC(=O)N1CC[C@H](N(C)CC#N)C1 1192631699 HXPAYPMZGNGOMV-LBPRGKRZSA-N 316.427 -0.286 30 20 DBED C#CCO[C@H](C)C(=O)N1CCCN(CC(=O)NC2CC2)CC1 1195791683 IUUSEDKJWPPKLJ-CYBMUJFWSA-N 307.394 -0.162 30 20 DBED C=CCNC[C@H]1CN(C(=O)[C@H](C)S(C)(=O)=O)CCCO1 1200814574 JXINGHVBXKWZJG-RYUDHWBXSA-N 304.412 -0.187 30 20 DBED C#CCNC[C@@H]1CN(C(=O)c2c[nH]c(C(N)=O)c2)CCCO1 1202071214 YQTSRAPIXCFPKR-GFCCVEGCSA-N 304.350 -0.433 30 20 DBED CC[C@@H](C(=O)N1CCC(NCC(=O)NCC#N)CC1)N(C)C 1202532519 YXUHQHTXVBQTEJ-ZDUSSCGKSA-N 309.414 -0.453 30 20 DBED CN1CC[C@@H](CC(=O)N2CCC(NCC(=O)NCC#N)CC2)C1 1203337312 GLQRMXFCMPHEPE-ZDUSSCGKSA-N 321.425 -0.451 30 20 DBED Cc1[nH]nc(C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@H]2C)c1C 1206695160 AHVGFXWSNMZPGF-BXKDBHETSA-N 318.381 -0.284 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCCN(C(=O)c2cnccn2)C1 1207108328 LHVMMMJZWQFLDT-STQMWFEESA-N 315.377 -0.191 30 20 DBED Cc1cc(C(=O)N2CCC[C@@H](NCC(=O)NCC#N)C2)n[nH]1 1207540561 XDPFAVWLYJCLEJ-LLVKDONJSA-N 304.354 -0.448 30 20 DBED C=CCOCCN[C@@H]1CCCN(C(=O)C2CS(=O)(=O)C2)C1 1208179304 FKBOBVXJMBQJAG-CYBMUJFWSA-N 316.423 -0.186 30 20 DBED C#CCC1(C(=O)N2CCC[C@@H](NCC(N)=O)C2)CCOCC1 1208313094 WOBJWKCFUQDPHC-CYBMUJFWSA-N 307.394 -0.128 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)[C@@H]2CC=CCC2)[C@H](OC)C1 1211833839 PPORAYDGYPUCIH-RBSFLKMASA-N 319.405 -0.093 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](NC[C@@H]2CCCOC2)[C@H](C)C1 1214472324 MGNBSWYRDJWLSY-QLFBSQMISA-N 321.421 -0.011 30 20 DBED C=CCCOCC(=O)N1C[C@@H](NCC(=O)NCC#N)[C@H](C)C1 1216913498 QYNLPLYWMOKBKL-CHWSQXEVSA-N 308.382 -0.345 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)c2snnc2C)C1 1219165130 HCTDGZRYTZCLLN-MNOVXSKESA-N 310.379 -0.729 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)/C=C(/C)C2CC2)C1 1219279444 QQBCTEYSPPBESV-QCBUVIIYSA-N 305.378 -0.747 30 20 DBED CCc1nocc1C(=O)N[C@@H]1CN(CC#CCOC)C[C@@H]1O 1220295736 ZOZWRIVIUBCEJH-KGLIPLIRSA-N 307.350 -0.338 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)CO[C@@H](C)c2nccn2C)C1 1220866631 VKFOBKMXOICBAV-MJBXVCDLSA-N 320.393 -0.318 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)c2cnco2)CC1 1223973268 QLSSKIBDOGZVGW-UHFFFAOYSA-N 304.350 -0.134 30 20 DBED C#CCN[C@@H]1CCCC[C@H]1NC(=O)CCn1ncn(C)c1=O 1227720396 IDZCSXHHKSTTBP-CHWSQXEVSA-N 305.382 -0.378 30 20 DBED C[C@H]1CCN(CC(=O)NC2CCN(CC(=O)NCC#N)CC2)C1 1229185951 QTOLJRWLSMUVTA-ZDUSSCGKSA-N 321.425 -0.451 30 20 DBED C#CCN1CCS(=O)(=O)[C@@H](CCNC(=O)Cn2cccn2)C1 1230420204 UDYUQSMBHOBOAQ-ZDUSSCGKSA-N 324.406 -0.878 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N[C@H](C)c1nnc2n1CCC2 1256954908 BJYQWXIFZOMAHZ-NXEZZACHSA-N 307.354 -0.281 30 20 DBED N#Cc1cnn2cc(CN3CCN4C(=O)NC(=O)[C@@H]4C3)cnc12 1261494152 HCVPFMLLSQPSNM-NSHDSACASA-N 311.305 -0.663 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H](NC[C@@H](O)COC)C2)nn1 1265934430 OKJPUSIMWLLRRL-NWDGAFQWSA-N 309.370 -0.725 30 20 DBED N#CCNC(=O)CNc1cc(C(=O)NCCC(N)=O)ccc1F 1319012717 SJUPKRYYLDVVPJ-UHFFFAOYSA-N 321.312 -0.517 30 20 DBED C[C@@]1(O)CCN(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1 1320687279 PXKZOFSWWCTRCI-XMXAVACDSA-N 308.338 -0.321 30 20 DBED C#CCCCCNC(=O)C(=O)N1C[C@@H](N)[C@H](c2cnn(C)c2)C1 1325864132 TWOIGIXUTAELAK-UONOGXRCSA-N 317.393 -0.407 30 20 DBED N#Cc1ccc(C[C@@H](C#N)C(=O)NCCOCC(N)=O)cc1 1326811825 PNHSKGJXEXKBKJ-ZDUSSCGKSA-N 300.318 -0.141 30 20 DBED C=CCN(C(=O)C(=O)N1CCn2nc(C)nc2C1)[C@@H](C)COC 1327764088 GJRZZHVFFDSTLB-NSHDSACASA-N 321.381 -0.022 30 20 DBED C=CCN(C(=O)C(=O)NCCNC(=O)c1cc[nH]n1)C1CC1 1329800509 IYZZQJNSFPYZFY-UHFFFAOYSA-N 305.338 -0.567 30 20 DBED C=C(C)CN(CC)C(=O)C(=O)NCCCS(=O)(=O)NC 1331562361 HDWGQFURDADZMR-UHFFFAOYSA-N 305.400 -0.534 30 20 DBED C=CCn1c(N2CCO[C@H](C(=O)NC)C2)nnc1C(C)(C)O 1339170225 SAQJMKBLWNNODY-JTQLQIEISA-N 309.370 -0.357 30 20 DBED N#CCN1CCC(CNC(=O)c2cnn(C[C@H](O)CO)c2)CC1 1350790713 IGNQGJADXAKKRZ-AWEZNQCLSA-N 321.381 -0.798 30 20 DBED N#CCCN1CCN(C(=O)C(=O)N2C[C@@H]3[C@H](C2)C3(F)F)CC1 1351931666 RZVAFDKPTHUMJB-PHIMTYICSA-N 312.320 -0.232 30 20 DBED COC[C@@H](NC(=O)c1cc(C#N)c(SC)nc1O)C(N)=O 1361359989 VTWQAZXAZCYXPO-MRVPVSSYSA-N 310.335 -0.389 30 20 DBED CC[C@H]1CN(C(=O)Cn2cc(C#N)c(O)nc2=O)C[C@H](C)O1 1361864667 ZQAIVHXIDICKHN-ONGXEEELSA-N 306.322 -0.154 30 20 DBED N#Cc1cnn2c(O)cc(CN3CC[C@@H](S(N)(=O)=O)C3)nc12 1363785956 ZIXYLEMRWKIZHE-SNVBAGLBSA-N 322.350 -0.831 30 20 DBED Cc1cc(F)cc(C#N)c1S(=O)(=O)N1C[C@@H](CO)[C@@H](O)C1 1364002992 OFMGDHNPSFXFKX-JQWIXIFHSA-N 314.338 -0.021 30 20 DBED C[C@@H]1CC[C@@H](CNC(=O)NCCn2cc(C#N)c(O)nc2=O)O1 1365396988 HINOMVWOTWXNOC-KOLCDFICSA-N 321.337 -0.313 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H](C)CNC(=O)CNC(=O)N1CCCC1 1380728576 YQWWKSSWEPBDTM-NWDGAFQWSA-N 323.397 -0.085 30 20 DBED CC(C)OCC(=O)N(C)C[C@@H](O)CNC(=O)c1ccc(C#N)[nH]1 1382959644 ZFYJINDHRQQLAS-LBPRGKRZSA-N 322.365 -0.140 30 20 DBED Cc1nc(CC(=O)N2CC[C@H](CNC(=O)[C@@H](C)C#N)C2)n[nH]1 1397652520 IDSUPNXTMATLGI-GXSJLCMTSA-N 304.354 -0.220 30 20 DBED CN(CCC#N)S(=O)(=O)N1CCCC[C@@H]1CS(C)(=O)=O 1414268405 OCYFDSUFNJTTQV-LLVKDONJSA-N 323.440 -0.024 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](C1CC1)N(C)C(=O)CS(C)(=O)=O 1424892438 LYJWFVRHDHAAGI-GXSJLCMTSA-N 315.395 -0.456 30 20 DBED CO[C@H](C)C(=O)NC[C@H](O)CN(C)C(=O)c1cc(C#N)c[nH]1 1425778532 SJIDAJMCJIMVTN-KOLCDFICSA-N 308.338 -0.530 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)C1(F)CCOCC1 1433311649 WMRPNIXZGFOQAY-ZJUUUORDSA-N 301.318 -0.742 30 20 DBED N#Cc1ccc2c(n1)CCCN2C(=O)c1cn(CC(N)=O)nn1 1433512652 UWKDLPLXRIBJCB-UHFFFAOYSA-N 311.305 -0.377 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H](CNC(=O)CS(C)(=O)=O)C1 1447601617 NNYWKALFAMMFDU-MNOVXSKESA-N 315.395 -0.455 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H](C)CNC(=O)c1cn(C)c(=O)n1C 1449979415 MTBWRQQPDRADQY-NXEZZACHSA-N 307.354 -0.540 30 20 DBED Cc1ccnc(CNC[C@H](O)CNC(=O)c2cc(C#N)c[nH]2)n1 1496961505 PLABTAVIHJNYPY-LBPRGKRZSA-N 314.349 -0.135 30 20 DBED CNC(=O)NC(=O)CN1CCC(C)(CNC(=O)[C@H](C)C#N)CC1 1500416580 TYLWDFWJQPGKLT-LLVKDONJSA-N 323.397 -0.180 30 20 DBED CC[C@H](CNC(=O)[C@@H]1CCC(=O)N1)NC(=O)c1ccc(C#N)[nH]1 1531343921 DTYWXACLWOHTAX-KOLCDFICSA-N 317.349 -0.210 30 20 DBED COC1(CO)CCN(c2cnc(C#N)c(-c3nn[nH]n3)n2)CC1 1570917806 FLFUIXDZLAQRDW-UHFFFAOYSA-N 316.325 -0.494 30 20 DBED C#CCOCCC(=O)NC[C@H]1[C@@H]2CN(C(=O)CNC(=O)O)C[C@H]12 1573310902 DPMJBIGOWUYMFN-CNDDSTCGSA-N 323.349 -0.886 30 20 DBED O=C(CN[C@@H]1CCN(C(=O)C#CC2CC2)C1)NCc1cnn[nH]1 1577938954 RKRCJWJZGQKDLC-GFCCVEGCSA-N 316.365 -0.975 30 20 DBED CS(=O)(=O)NC1CC(NC(=O)[C@H](N)CCCCC#N)C1 1579344809 ZBASHWMNBOJMKU-VQXHTEKXSA-N 302.400 -0.406 30 20 DBED N#Cc1nc(NCCC2CS(=O)(=O)C2)cnc1-c1nn[nH]n1 1581880823 WJGQGYSIODPHRL-UHFFFAOYSA-N 320.338 -0.625 30 20 DBED C=C[C@@H](O)C(=O)N(C)C[C@H](O)c1cccc(-c2nn[nH]n2)c1 1588525321 GCEAUHONPLALOE-NEPJUHHUSA-N 303.322 -0.095 30 20 DBED C=CCOC[C@@H](NC(=O)CSc1n[nH]c(C)n1)C(=O)O 1588856414 IMPIDEBXPCKQBA-MRVPVSSYSA-N 300.340 -0.023 30 20 DBED C=CCn1cc(CNS(=O)(=O)[C@H]2C[C@@H](C(=O)O)C2)nn1 1588909023 FSMRHSLBZQTILI-WAAGHKOSSA-N 300.340 -0.253 30 20 DBED C[C@H](C#N)CNC(=O)N1CCN([C@]2(C(=O)O)CCOC2)CC1 1589330834 RRWFNIOUXBDYFV-BXUZGUMPSA-N 310.354 -0.283 30 20 DBED CC(C)C#CC(=O)N1C[C@H]2[C@H](NC(=O)[C@@H]3C[C@@H]3C(=O)O)[C@H]2C1 1590927185 VCVAPSADIDINOG-MOWSAHLDSA-N 304.346 -0.061 30 20 DBED N#Cc1nc(NC(=O)[C@@]2(O)CCSC2)[nH]c1-c1nn[nH]n1 1592683204 NHEGDCUBMLCQJX-SNVBAGLBSA-N 306.311 -0.732 30 20 DBED COC[C@@H](CO)NS(=O)(=O)c1ccc(C#N)cc1C(=O)O 1599164417 JXSJQKHEVGCQME-SECBINFHSA-N 314.319 -0.458 30 20 DBED N#CCn1cc(NC(=O)C(=O)N[C@@H](CC(=O)O)C2CC2)cn1 1601079353 WMGZTYYRVICKEY-JTQLQIEISA-N 305.294 -0.285 30 20 DBED O=C(O)CN(CCN1CCOCC1)C(=O)C#CC1CCNCC1 1602054794 AUZBSNOZNFGSMS-UHFFFAOYSA-N 323.393 -0.765 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1CCCCN(CC(=O)O)C1=O 1602702439 MMGWNPPCFLZLMC-STQMWFEESA-N 321.377 -0.334 30 20 DBED N#CC1(C(=O)O)CCN(C[C@@H](O)CC2(O)CCOCC2)CC1 1608174360 MADAJZMMVYOSPD-LBPRGKRZSA-N 312.366 -0.031 30 20 DBED CS(=O)(=O)C1(CNC(=O)N2CC[C@](O)(CC#N)C2)CC1 1647236390 KBHRLLRKLPTFDB-LLVKDONJSA-N 301.368 -0.376 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)CCc2cncn2C)C1 1698548718 ZIRARVGYWVHWJI-ZDUSSCGKSA-N 317.393 -0.707 30 20 DBED C#CCN1CC[C@@H](NC(=O)[C@@H](NS(C)(=O)=O)C(C)C)C1 1713981519 MRGKNAOFDOMXAI-NEPJUHHUSA-N 301.412 -0.616 30 20 DBED COCC#CCN1CCN(CCNC(=O)[C@@H]2CCCN2C)CC1 1752363949 VZTMGYCEWCYFFK-INIZCTEOSA-N 322.453 -0.536 30 20 DBED C=CCN1CC[C@@H](N(C)CCNC(=O)c2cnn(C)n2)C1=O 1753067031 GGZZFPDWPGZDAU-GFCCVEGCSA-N 306.370 -0.736 30 20 DBED C#CCO[C@H](C)C(=O)NC1CN(CC(=O)NCc2ccco2)C1 1753378331 ZSYZHAIISUFNIT-GFCCVEGCSA-N 319.361 -0.266 30 20 DBED CC1CCN(CC(=O)NC2CN(CC(=O)NCC#N)C2)CC1 1753389936 RITOQEDJCIYVNM-UHFFFAOYSA-N 307.398 -0.842 30 20 DBED Cc1cc(C(=O)N(C)[C@H]2CCN(CC(=O)NCC#N)C2)ncn1 1753435697 WUZYQKMAAISOTH-LBPRGKRZSA-N 316.365 -0.429 30 20 DBED C=CCN1CC[C@H](N2CC[C@H]2CNC(=O)CCNC(N)=O)C1=O 1754503065 STLGFXBKBMJSTJ-RYUDHWBXSA-N 323.397 -0.978 30 20 DBED CCc1cc(C(=O)NC[C@@H]2CCN2CC(=O)NCC#N)nn1C 1754505058 PQDOZMIHPCRUMB-LBPRGKRZSA-N 318.381 -0.574 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)C(C)(C)NC(=O)NCC=C 1754974508 PBWRLTMMGGKDPP-ZDUSSCGKSA-N 322.409 -0.300 30 20 DBED C#CCCN1CCN([C@@H]2CCN(C(=O)[C@H](C)NC(C)=O)C2)CC1 1755017930 SLWUUCOZYQVJOJ-GOEBONIOSA-N 320.437 -0.247 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC([C@@H](C)NC(=O)c2cnn(C)n2)C1 1755387401 INMFPTNFCQWOEI-GHMZBOCLSA-N 318.381 -0.997 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)C[C@H](C)NCc1cnnn1C 1755591698 OYTFAEJHAHJVSM-ZFWWWQNUSA-N 318.425 -0.151 30 20 DBED CC(C)N1C(=O)CC[C@H]1C(=O)N(C)CCOCCNCC#N 1755876688 STUOCJSVGVRITG-ZDUSSCGKSA-N 310.398 -0.026 30 20 DBED CC(=O)N(C)CC(=O)NCCOCCN(C)C(=O)[C@H](C)C#N 1756369763 AVXRDFCYMLQAAA-LLVKDONJSA-N 312.370 -0.784 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@H](CO)CNC(=O)c1cnnc(C)c1 1756516275 YXEWGZPCBYBOSG-WFASDCNBSA-N 322.365 -0.681 30 20 DBED CC(C)C#CC(=O)NC[C@@H](CO)NC(=O)C1(N(C)C)CCC1 1756517113 DTOQYNDHCZGYNL-ZDUSSCGKSA-N 309.410 -0.277 30 20 DBED C#CCOCCC(=O)N[C@H](CO)CNC(=O)[C@@]1(C)CCOC1 1756545585 QJYVHHQILRIBJL-WFASDCNBSA-N 312.366 -0.954 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(C(=O)C2(NC(N)=O)CC2)[C@H]1C 1756560406 OIRHGMJAARVGBI-WDEREUQCSA-N 324.381 -0.505 30 20 DBED C=CCCC(=O)N[C@H]1C[C@@H](C)N(C(=O)Cn2c(O)nnc2O)C1 1756596760 BALOXXUFDDNPIQ-ZJUUUORDSA-N 323.353 -0.239 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H](O)CN(C)C(=O)c1ccco1 1756649699 BEKJNVKFCPLGSG-NEPJUHHUSA-N 308.334 -0.133 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C[C@@H](O)CNC(=O)Cc1cnoc1 1756663243 NVZAWIYYVGSSMT-AAEUAGOBSA-N 323.349 -0.809 30 20 DBED C#CCOCCC(=O)N(C)C[C@@H](O)CNC(=O)c1ccncn1 1756663951 WBKZPFRHUSZEPP-LBPRGKRZSA-N 320.349 -0.934 30 20 DBED C=CCCC(=O)N(C)C1CC(NC(=O)CN2CCNC(=O)C2)C1 1756735439 GZJDURPMYFHGQK-UHFFFAOYSA-N 322.409 -0.510 30 20 DBED N#CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)n[nH]1)C2 1795083536 OOXLDMAFTOGTPF-YFKFIEJBSA-N 319.321 -0.768 30 20 DBED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)O)CCO2 1840029621 LNUWHXPCZWQELA-CZUORRHYSA-N 324.377 -0.763 30 20 DBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1=COCC1)CCO2 1840562626 DPXOTNAUZQHADV-INIZCTEOSA-N 320.345 -0.620 30 20 DBED C[C@H](S)C(=O)N1CC2(CCCN2C(=O)[C@@H]2CNC(=O)O2)C1 1841650232 CJXGDCYKHRRYTM-IUCAKERBSA-N 313.379 -0.384 30 20 DBED C=CCN(C(=O)[C@H]1CC(=O)N(C)C1)[C@@H]1CCS(=O)(=O)C1 98100940 UGOPCJJMDSIJPT-WDEREUQCSA-N 300.380 -0.334 30 20 DBED CN(C)C(=O)CN1CCC(NC(=O)C2(C#N)CCOCC2)CC1 109308958 HOUIEOKZTFOERO-UHFFFAOYSA-N 322.409 -0.024 30 20 DBED C[C@](C#N)(NC(=O)CN1CC[C@@H](NS(C)(=O)=O)C1)C1CC1 247159704 QMQVETNNONXXRA-DGCLKSJQSA-N 314.411 -0.582 30 20 DBED C/N=C(/NC[C@H]1CN2CCN1CC2)NC[C@](C)(O)c1ccco1 261665301 GLWIVUDEXYNBGR-BBRMVZONSA-N 321.425 -0.348 30 20 DBED O=C(NCC#Cc1ccccc1)NCCN1C(=O)CNC1=O 265057831 LFHODPPZFCITFX-UHFFFAOYSA-N 300.318 -0.111 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1CC[C@](F)(C(=O)OC)C1 267703314 VBJNOBMIHSHOMY-TVQRCGJNSA-N 301.318 -0.026 30 20 DBED Cc1ncc(S(=O)(=O)NC[C@H]2CN(C)CCO2)cc1C#N 314453770 GLQSCVHEEALARV-LBPRGKRZSA-N 310.379 -0.129 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H](CO)c1cnn(C)c1 330371395 IVGPFDWUGKDLRN-PWSUYJOCSA-N 315.399 -0.231 30 20 DBED CC/N=C(/O)NC(=O)[C@H](C)N1CCC[C@@](O)(Cn2ccnn2)C1 330511798 BQAPIQVSSQITBN-FZMZJTMJSA-N 324.385 -0.456 30 20 DBED C[C@H]1CN(S(=O)(=O)N2CCO[C@@H](C#N)C2)C[C@@H](C)N1C 339067414 MGJNNJCRUZWNKS-TUAOUCFPSA-N 302.400 -0.520 30 20 DBED CCN(CCC#N)S(=O)(=O)N[C@H]1CS(=O)(=O)C[C@H]1C 341959218 QJIWEECCVZGPPR-ZJUUUORDSA-N 309.413 -0.511 30 20 DBED C=CCN(CCOC)C(=O)C(=O)NCc1nnc2n1CCCC2 342795253 AIOXHIVTXSWPOJ-UHFFFAOYSA-N 321.381 -0.108 30 20 DBED COC(=O)[C@@H](NS(=O)(=O)Cc1cccc(C#N)c1)[C@H](C)O 344538297 NCMJIPQNNDUXQF-CABZTGNLSA-N 312.347 -0.100 30 20 DBED N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCNC(=O)C1 348808193 HWSXAZIMKURJMU-UHFFFAOYSA-N 310.291 -0.413 30 20 DBED CCOc1ccccc1NC(=O)C(=O)NCC(=O)NCC#N 357303884 HWJJBECRNAUNGK-UHFFFAOYSA-N 304.306 -0.220 30 20 DBED CC(C)(C#N)CNC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 359645096 FWAZAIWUPLXMKS-CNVPUSNMSA-N 305.334 -0.185 30 20 DBED C[C@@H](C#N)S(=O)(=O)N1CCN(c2ccnc(N(C)C)n2)CC1 416464062 WOUJVFTWLHURFY-NSHDSACASA-N 324.410 -0.094 30 20 DBED C=CCCn1cc(C(=O)NCCCN2C(=O)CNC2=O)nn1 424663313 MXWYSESBASEBFQ-UHFFFAOYSA-N 306.326 -0.474 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)CNC[C@H]2CCCO2)CC1 430767120 ZANDQLPCMAPDNL-CQSZACIVSA-N 324.425 -0.799 30 20 DBED CCN(CCC#N)C(=O)Cn1ccc2c(=O)n(C)c(=O)n(C)c21 439132730 KMWDWHHHEPMHGP-UHFFFAOYSA-N 317.349 -0.199 30 20 DBED C#CCNC(=O)C1CCN(C(=O)N[C@H]2CCCCNC2=O)CC1 491193175 WNBHKLDOZYXBAO-ZDUSSCGKSA-N 320.393 -0.174 30 20 DBED CS(=O)(=O)N1CCC[C@H](C(=O)[C@@H](C#N)C(=O)NC2CC2)C1 528917978 IFQVIPQVXCFLSB-GXSJLCMTSA-N 313.379 -0.355 30 20 DBED C=C[C@@H]1OCCC[C@H]1NCc1nc2c(=O)n(C)c(=O)n(C)c2[nH]1 568720807 YATLLJATHGZWSZ-ZJUUUORDSA-N 319.365 -0.217 30 20 DBED Cn1ccc(=O)n(CCCNC(=O)c2cccc(C#N)n2)c1=O 591829775 MJRLHXUMPRTRAS-UHFFFAOYSA-N 313.317 -0.366 30 20 DBED N#CCCN1CCN(C(=O)C(=O)N2CCC(CN)CC2)CC1 601585827 YXGCJKCATRCWPB-UHFFFAOYSA-N 307.398 -0.758 30 20 DBED CN(CC(=O)N1CC[C@@](F)(C#N)C1)[C@@H]1CCS(=O)(=O)C1 615932878 SQIXUZCUIBPUMZ-ZYHUDNBSSA-N 303.359 -0.431 30 20 DBED CC#CC[C@@H](CO)NC(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 645211963 WOXIALIHIRSDNS-RYUDHWBXSA-N 317.411 -0.516 30 20 DBED N#Cc1cccc(OCC(=O)NCCN2C(=O)CNC2=O)c1 733271476 YXCJJDVSZQDWKY-UHFFFAOYSA-N 302.290 -0.395 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@H]3CC[C@H]2O3)CC1 733776026 ZSYNPGGXMFHXSE-MGPQQGTHSA-N 305.378 -0.553 30 20 DBED N#CCN(CC(=O)O)C(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 739076957 FJULBOZUZMUILY-WTTBSCSTSA-N 317.301 -0.770 30 20 DBED Cn1cc(C[C@H]2CC(=O)N(CN3CCO[C@H](C#N)C3)C2=O)cn1 746377668 NHGZXQSXMFCTMZ-QWHCGFSZSA-N 317.349 -0.480 30 20 DBED C#CCCN(CC(F)(F)F)C(=O)C[C@H](NC(C)=O)C(N)=O 768618866 YNCDHNYHLXOZIG-VIFPVBQESA-N 307.272 -0.219 30 20 DBED N#Cc1ccc(CNC(=O)NCCN2CCCS2(=O)=O)nc1 780357932 USILMMUCPKAARO-UHFFFAOYSA-N 323.378 -0.212 30 20 DBED O=C1NC(=O)C(=NNC(=S)NCc2ccc(F)cc2)C(=O)N1 814218106 RUCHHABWXPBNKR-UHFFFAOYSA-N 323.309 -0.488 30 20 DBED C[C@H](CNC(=O)[C@](C)(C#N)CC(=O)O)CN1CCN(C)CC1 820095478 FGPXNCNUXUQPAL-DOMZBBRYSA-N 310.398 -0.009 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)NCCS(=O)(=O)CC 827917524 OJZMVLIVWZBAJM-UHFFFAOYSA-N 318.395 -0.964 30 20 DBED CCN1C[C@@H](NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CC1=O 836613158 ZHJDKBUCJLUDEK-AAEUAGOBSA-N 305.382 -0.011 30 20 DBED C#CC[C@H](NC(=O)C1=C(C)N(C)c2nnnn2C1)C(=O)OC 837948688 XSMLXFUXKHLSKG-JTQLQIEISA-N 304.310 -0.922 30 20 DBED CCN[C@H](C)CNC(=O)C(=O)NCCNc1ncccc1C#N 842175731 VXHGBOXNSPUIJL-LLVKDONJSA-N 318.381 -0.404 30 20 DBED C=C[C@H](C(=O)OC)N1CCS(=O)(=NS(C)(=O)=O)CC1 846918652 SXBBAROGFYVRHR-SECBINFHSA-N 310.397 -0.543 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2cc(F)cnc2O)CC1 857115550 KXKKYCXYDJWHSC-UHFFFAOYSA-N 320.324 -0.567 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N1C[C@H](C)O[C@@H](CO)C1 875596930 WPFHHFDDWBFPQG-YNEHKIRRSA-N 312.366 -0.861 30 20 DBED C#CCN1CCC[C@H](NC(=O)NCCS(=O)(=O)CC)C1 884130032 XDUWNTVTQOEOSR-LBPRGKRZSA-N 301.412 -0.182 30 20 DBED C#CC[C@@H](CO)NC(=O)NC1CCN(CC(=O)N(C)C)CC1 917816307 OCXBDKVWDHIQRM-ZDUSSCGKSA-N 310.398 -0.778 30 20 DBED N#Cc1cccnc1NCCNC(=O)Cn1ccc(O)nc1=O 918575397 IVHLDFVMDCOXGX-UHFFFAOYSA-N 314.305 -0.556 30 20 DBED C#CC[C@H](CO)NC(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O 919260870 ATCRJGINIRFNHS-PWSUYJOCSA-N 305.338 -0.791 30 20 DBED C=CCOC[C@H]1NC(=O)N(CC2(N3CCOCC3)CC2)C1=O 925391995 YQTKTCCDKASCHU-GFCCVEGCSA-N 309.366 -0.026 30 20 DBED CC(C)[C@@H](C#N)N1CCN(C(=O)[C@@H]2CSCC(=O)N2)CC1 931384509 FPPFBWWGCLXZOO-NWDGAFQWSA-N 310.423 -0.090 30 20 DBED C=CCCN1CC[C@H](NC(=O)Cn2ncn(C)c2=O)[C@H](C)C1 942200793 PGECIYQPBFRVKZ-OLZOCXBDSA-N 307.398 -0.016 30 20 DBED CO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1NC(=O)C1CCN(C)CC1 942547399 BDQYGIZXCJYMFV-IACUBPJLSA-N 322.409 -0.170 30 20 DBED CCN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CCN(C(=O)CC(N)=O)C1 942743854 JTFZODDECNPBTE-NSHDSACASA-N 317.349 -0.175 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CN(C(=O)COC)C[C@H]2C)nn1 947127488 HELPVYWHUFHVSP-GHMZBOCLSA-N 307.354 -0.313 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@@H]2CNC(=O)c2ncn(C)n2)cn1 949758907 IZNUQFWZDYWUCZ-CYBMUJFWSA-N 324.344 -0.164 30 20 DBED COCCn1cc(C(=O)NC[C@H]2CCN2C(=O)[C@@H](C)C#N)nn1 949945238 JTEDPKIURXBIEK-WDEREUQCSA-N 320.353 -0.585 30 20 DBED C=C(C)CN1CCN(C(=O)[C@@H]2CCN(C)S2(=O)=O)CC1 951699709 LPIAJVJDHVZAHZ-LBPRGKRZSA-N 301.412 -0.259 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H](NC(=O)c2cn(C)c(=O)cn2)C1 951868848 XHMLCISQHGWXRZ-GHMZBOCLSA-N 317.349 -0.339 30 20 DBED N#CCN1C[C@H](CNC(=O)c2cncc3nc[nH]c23)[C@@H](O)C1 958081475 ORESNWDVYHGRGI-CABZTGNLSA-N 300.322 -0.496 30 20 DBED C#CCCN1C[C@@H](O)[C@@H](CNC(=O)c2cnn(CCF)c2)C1 958196289 SUOSHDSCFZUILF-GXTWGEPZSA-N 308.357 -0.102 30 20 DBED C=CCN1C[C@H](CNC(=O)c2nccn3ccnc23)[C@@H](O)C1 958417508 LOAGXVWXTXYGIQ-RYUDHWBXSA-N 301.350 -0.062 30 20 DBED CC#CCN1C[C@H](CNC(=O)c2cc(C(N)=O)c[nH]2)[C@@H](O)C1 958525226 GWWGNBNQMPZWKO-AAEUAGOBSA-N 304.350 -0.841 30 20 DBED C#CCN1C[C@H](CNC(=O)c2cccn3c(O)nnc23)[C@@H](O)C1 958587130 GLHFZBQEGGPTHC-JQWIXIFHSA-N 315.333 -0.909 30 20 DBED CC#CCN1C[C@H]2C(NC(=O)[C@@H]3CC(=O)N(CCOC)C3)[C@@H]2C1 960170070 WHGCFTQQVWUKGW-MGPQQGTHSA-N 319.405 -0.449 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1ncc[nH]1 960344927 ZJAHEXPEWNHHOP-GARJFASQSA-N 303.322 -0.379 30 20 DBED O=C(NC[C@H]1COCCN1C(=O)C#CC1CC1)c1ccnnc1 964373604 HTQATOSFYXYWKV-AWEZNQCLSA-N 314.345 -0.153 30 20 DBED C#CCCN1CCO[C@]2(CCN(C(=O)C3CN(C(C)=O)C3)C2)C1 972361107 DQKXAKXJAVVKJJ-QGZVFWFLSA-N 319.405 -0.209 30 20 DBED N#Cc1c[nH]c(C(=O)N2[C@H]3CC[C@H]2CC(NC(=O)C(N)=O)C3)c1 973654993 WIFWAYUBGGBMFC-QWRGUYRKSA-N 315.333 -0.377 30 20 DBED CC1(C)CN(CC#N)C[C@@H]1NC(=O)c1cnn2c(=O)cc[nH]c12 977275268 UQPUWVITMGHLHZ-NSHDSACASA-N 314.349 -0.014 30 20 DBED C#CCCN1C[C@@H]2C(CNC(=O)c3cn(CCOC)nn3)[C@H]2C1 978156542 NZXCZRRNZPMUCA-ZIAGYGMSSA-N 317.393 -0.145 30 20 DBED C#CCN1CCCC2(C1)CN(C(=O)c1ccc(=O)n(C)n1)C2 982141331 ZDBQEJHDCYPHHV-UHFFFAOYSA-N 300.362 -0.049 30 20 DBED O=C1NCCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)C#CC2CC2)C1 982738780 HBTAJXISKVNEIW-ZIAGYGMSSA-N 317.389 -0.109 30 20 DBED Cc1nn(CC(=O)N2CCC(N(C)CC#N)CC2)c(=O)n1C 985774540 UDJYMANMDZBSFJ-UHFFFAOYSA-N 306.370 -0.663 30 20 DBED CN1CC(=O)N(CC(=O)N2CCC(N(C)CC#N)CC2)C1=O 985782398 URLCLCPUCLETSA-UHFFFAOYSA-N 307.354 -0.673 30 20 DBED CN(C[C@@H]1CCN(C(=O)CC(N)=O)C1)C(=O)c1cc(C#N)c[nH]1 987844834 BWLGKOVVFXATDW-JTQLQIEISA-N 317.349 -0.318 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)c2c[nH]c(C(N)=O)c2)[C@H]1C 988119969 AURIGHVHXHLBQD-NGZCFLSTSA-N 317.349 -0.008 30 20 DBED C[C@@H]1C[C@H](NCC#N)CN1C(=O)c1ccc(S(N)(=O)=O)o1 989095525 RYTASIOOUFWSMV-BDAKNGLRSA-N 312.351 -0.357 30 20 DBED Cn1nnc(CNC2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)n1 990789840 NTVHWTJSTXYOBW-UHFFFAOYSA-N 314.353 -0.196 30 20 DBED CSCC(=O)N1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H](O)C1 991400617 JHZCKNUKEBYOQJ-NEPJUHHUSA-N 322.390 -0.059 30 20 DBED C=CCn1cc(C(=O)NC2CN(C(=O)c3ccon3)C2)nn1 991674427 XKNKGYSUPKHNBX-UHFFFAOYSA-N 302.294 -0.294 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)Cc2nnn(C(C)(C)C)n2)C1 991900919 KEQHLLUDBVYGEI-VIFPVBQESA-N 319.369 -0.543 30 20 DBED C=CCn1cc(C(=O)N2CCC[C@H](N[C@H](CC)C(N)=O)C2)nn1 1000412782 STNBJOOZQDREDU-NWDGAFQWSA-N 320.397 -0.078 30 20 DBED C#Cc1ccc(C(=O)NCC2CCN(CC(N)=O)CC2)cn1 1002056550 YIVHJZYEKRWRED-UHFFFAOYSA-N 300.362 -0.010 30 20 DBED C=CCn1cc(C(=O)N(C)C[C@H]2CCCN2C(=O)C(N)=O)nn1 1002919931 GOJYFKHSLWDALI-SNVBAGLBSA-N 320.353 -0.988 30 20 DBED C[C@@H](C#N)C(=O)N1CCCCC[C@@H]1CNC(=O)c1nnn(C)n1 1005496796 HZWMKWVEGFKIPV-WDEREUQCSA-N 319.369 -0.129 30 20 DBED C[C@H](NC(=O)[C@@H]1CCC(=O)N1C)C1CN(C(=O)C#CC2CC2)C1 1006621207 KKHYSSWYYWZLNE-FZMZJTMJSA-N 317.389 -0.016 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2C(NC(=O)Cc3ccnn3C)[C@@H]2C1 1013017624 MAKZGEIUPYFJRU-YUSALJHKSA-N 301.350 -0.305 30 20 DBED C#Cc1cncc(C(=O)N2C[C@H]3C(NC(=O)c4cnon4)[C@@H]3C2)c1 1013637838 BCDMVSLFHXYKLI-VXGBXAGGSA-N 323.312 -0.054 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CC23CCN(CC(N)=O)CC3)[nH]1 1016577765 ZOZILNAWERBSNL-GFCCVEGCSA-N 301.350 -0.044 30 20 DBED C[C@H](C#N)C(=O)N1CC=C(CNC(=O)[C@H]2CCCNC2=O)CC1 1017513941 GNAXVAXWSKTESI-YPMHNXCESA-N 318.377 -0.053 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H](N[C@H]3CCCNC3=O)C2)nn1 1019482069 FHWPOMOXPBEIAW-RYUDHWBXSA-N 318.381 -0.453 30 20 DBED N#CCN1[C@H]2CC[C@H]1CC(NC(=O)CN1CCC(=O)NC1=O)C2 1021430849 MZDXLHMTBSLKOS-RYUDHWBXSA-N 319.365 -0.437 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CN(C(=O)c3cocn3)C[C@H]2O)c[nH]1 1023455210 ONZYSXUIYOUFRD-ZYHUDNBSSA-N 315.289 -0.510 30 20 DBED Cn1nnc(CN2CCC[C@@H]2CNC(=O)c2c[nH]c(C#N)c2)n1 1027833959 WREXYJDHJUAULN-GFCCVEGCSA-N 314.353 -0.196 30 20 DBED Cc1nc(C(=O)NC[C@H]2CCN(CC#N)C2)nn1-c1nc[nH]n1 1028724330 FEYZESPOCMRKCP-SNVBAGLBSA-N 315.341 -0.731 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)Cc3cnc[nH]3)C2)C1=O 1031016652 RFQUSDOWASPOBA-CYBMUJFWSA-N 303.366 -0.461 30 20 DBED C=CCCn1cc(C(=O)N(C)[C@@H]2CCN(CC(=O)NC)C2)nn1 1033483765 LOXDVWUZBUVIEG-GFCCVEGCSA-N 320.397 -0.254 30 20 DBED CN(C(=O)c1cn(C[C@H]2CCOC2)nn1)[C@H]1CCN(CC#N)C1 1033537386 CGLPHACPQUFINI-OLZOCXBDSA-N 318.381 -0.016 30 20 DBED CC#CCN1CCO[C@@H](CNC(=O)c2cncc(OC)n2)C1 1035537481 QYSNYGWBUZTHDU-LBPRGKRZSA-N 304.350 -0.061 30 20 DBED CC#CCN1CC2(CCN(C(=O)C[C@@H]3CC(=O)NC3=O)CC2)C1 1035863125 YISQNAVGSSIEKU-ZDUSSCGKSA-N 317.389 -0.013 30 20 DBED C=CCN[C@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C[C@@H]1C 1036038090 LJYJMPAKZCZWMH-QWRGUYRKSA-N 306.370 -0.610 30 20 DBED C=CCN[C@H]1CCN(C(=O)Cn2ccc(O)nc2=O)C[C@@H]1C 1036098821 IQEBZYKCMILNLB-RYUDHWBXSA-N 306.366 -0.039 30 20 DBED N#CCN1CC[C@@H]2CN(C(=O)Cn3c(O)nnc3O)CC[C@@H]21 1036879794 UREJCXFMYSCUKE-ZJUUUORDSA-N 306.326 -0.864 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@](O)(CNC(=O)c2cn(C)nn2)C1 1039616557 TVHZBBUMMFYSGU-HNNXBMFYSA-N 321.381 -0.280 30 20 DBED C#CCCN1[C@H]2CCC[C@H]1CN(C(=O)CN1CCOCC1=O)C2 1039645031 IBFFZRXDQXQRHU-GJZGRUSLSA-N 319.405 -0.066 30 20 DBED C#CCCCC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2CCN(C)C2)C1 1039756602 HUKZCBYDDSWZHV-PBHICJAKSA-N 321.421 -0.179 30 20 DBED N#Cc1ccc(N2CCO[C@@H]3CCN(C(=O)C(N)=O)C[C@H]32)cn1 1040001551 SVUHEBYXDZLEKS-CHWSQXEVSA-N 315.333 -0.755 30 20 DBED C=CCOCC(=O)N1CC[C@@](O)(CNC(=O)Cc2cnoc2)C1 1040641086 DWHSJMATFFIXLQ-OAHLLOKOSA-N 323.349 -0.501 30 20 DBED C#CCN1CCC2(CC1)CCN(C(=O)c1nnc(O)nc1O)C2 1040760539 LOIFWPTYQITHLU-UHFFFAOYSA-N 317.349 -0.156 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)Cc2ccc[nH]2)C1 1040760907 ASOVEHDVPBELRB-NHYWBVRUSA-N 304.350 -0.204 30 20 DBED C#CCN1CC[C@@]2(CCN(C(=O)c3cnc(O)n(C)c3=O)C2)C1 1041530803 BMIKIVKNHZNIAP-MRXNPFEDSA-N 316.361 -0.343 30 20 DBED CS[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2c[nH]c(C#N)c2)C1 1042668944 BPAHVXIDURHSMJ-VIFPVBQESA-N 322.390 -0.059 30 20 DBED C#CCN1CC(N(C)C(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 1042719875 WKPJCUIIQCKLHD-NSHDSACASA-N 301.350 -0.462 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)c2nonc2C)C1 1042807824 ZHYOXUVKYGVSRB-UHFFFAOYSA-N 306.322 -0.515 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)[C@@H]2CC2(F)F)C1 1042919938 NVIPUNNSDVDUJK-UWVGGRQHSA-N 318.320 -0.078 30 20 DBED C#CCN1CC(N(C)C(=O)c2ccc(=O)n(CCOC)c2)C1 1043209936 AYSOBCVPBJYLMG-UHFFFAOYSA-N 303.362 -0.116 30 20 DBED C[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1Nc1cnc(C#N)cn1 1043472404 KDBGQZIQEUINOX-MWLCHTKSSA-N 314.349 -0.127 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)[C@@H]2CCCCN2C)C1 1043768340 BDPYEKHWGZAOOJ-RYUDHWBXSA-N 308.382 -0.680 30 20 DBED N#Cc1cnc(N2C[C@H](O)[C@H](NC(=O)c3cnsn3)C2)cn1 1043864718 WYJWBBVQSJVEEB-ZJUUUORDSA-N 317.334 -0.821 30 20 DBED Cc1cc(C(=O)N[C@@H]2CN(c3ccnc(C#N)n3)C[C@@H]2O)n[nH]1 1043870322 ZLAHEXBIIXWFFG-MNOVXSKESA-N 313.321 -0.641 30 20 DBED CC#CCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCCN2C)C1 1044994097 JREIETIDFVGOTN-AWEZNQCLSA-N 321.421 -0.036 30 20 DBED CC(=O)N1CC(C(=O)N2CCN([C@@H]3CCN(CC#N)C3)CC2)C1 1046024117 FSZZRTKKJJPSKJ-OAHLLOKOSA-N 319.409 -0.793 30 20 DBED N#Cc1nc(=N[C@H]2C[C@@H](CNC(=O)[C@@H]3[C@H]4COC[C@H]43)C2)cc[nH]1 1046539957 GUXQTCKWYDJWKU-HSKKSDQVSA-N 313.361 -0.031 30 20 DBED CC(C)CCn1cc(C(=O)N(C)[C@H]2CN(CC#N)C[C@@H]2O)nn1 1047524355 IJNCMUGZGCMQSU-KBPBESRZSA-N 320.397 -0.035 30 20 DBED C=CCN1CC[C@H](N2CCC3(CC2)CN(C(=O)C(N)=O)C3)C1=O 1050642971 OZVAZEYHAPBTGU-LBPRGKRZSA-N 320.393 -0.817 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)[C@H]1CCc2nn[nH]c2C1 1051209791 NJKWPKHQOYFYRT-RYUDHWBXSA-N 303.366 -0.640 30 20 DBED N#CCN1CCOC[C@H]1CNC(=O)[C@@H]1CCc2c[nH]nc2C1 1051251978 AAISAIGPJJHRSO-DGCLKSJQSA-N 303.366 -0.145 30 20 DBED C#CCN1CCN([C@@H]2CCN(C(=O)[C@H]3CCCN3C)C2)CC1 1051996011 JNJSWXVSHFFECS-HZPDHXFCSA-N 304.438 -0.068 30 20 DBED C#CCN1CCN([C@@H]2CCN(C(=O)C34CCN(CC3)C4)C2)CC1 1052109265 ZSRVXGISBQSISM-MRXNPFEDSA-N 316.449 -0.066 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](C)[C@H](CNC(=O)CCNC(N)=O)C1 1052549588 VSKWBDOFMDKOEW-CHWSQXEVSA-N 322.409 -0.085 30 20 DBED C[C@H](C#N)C(=O)N1CCOC2(CN(CCn3cncn3)C2)C1 1053191327 OPBKXYCJMKIUOX-GFCCVEGCSA-N 304.354 -0.649 30 20 DBED C=C(C)CCN1CC2(C1)CN(C(=O)[C@@H]1COC(=O)N1)CCO2 1053241012 CXCLRAVFBDSXKV-LBPRGKRZSA-N 309.366 -0.026 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)C[C@@H]1CCNC1=O)CCO2 1053286284 YFRKWALSJZRDBH-ZDUSSCGKSA-N 305.378 -0.551 30 20 DBED C=CCN1CC2(C1)CN(C(=O)c1cn(C)c(=O)cn1)CCO2 1053350889 OTWVMVJSPXGBJL-UHFFFAOYSA-N 304.350 -0.507 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)[C@]1(C)CCNC1=O)CCO2 1053425695 FKSRYWZKYLSIKO-OAHLLOKOSA-N 305.378 -0.551 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@](CO)(NC(=O)c2ccnn2C)C1 1055817205 IQYVTLSLEVEJJA-NHYWBVRUSA-N 319.365 -0.337 30 20 DBED N#Cc1ccc(N2CCCN(C(=O)Cn3cncn3)CC2)nn1 1057139748 XMYTZIXLGYXGMX-UHFFFAOYSA-N 312.337 -0.321 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)Cc1cnn(C)c1 1057164612 LEVAMTBKZPPTFZ-UHFFFAOYSA-N 308.382 -0.134 30 20 DBED COC(=O)[C@H]1C[C@H]1C(=O)N(CCO)CCNC(=O)C#CC(C)C 1057177470 FWZIZWYTPJMYJO-OLZOCXBDSA-N 324.377 -0.608 30 20 DBED C#CCO[C@H](C)C(=O)N(CCO)CCNC(=O)[C@H]1CCCO1 1057582985 DNAZPWOPQWPBRK-CHWSQXEVSA-N 312.366 -0.859 30 20 DBED N#Cc1nccc(N2CC[C@@H](NC(=O)C[C@H]3CCNC3=O)C2)n1 1058465694 XIRFPXUMUPGKHM-GHMZBOCLSA-N 314.349 -0.431 30 20 DBED C[C@]1(C(=O)N[C@H]2C[C@@H](Nc3cnc(C#N)cn3)C2)CNC(=O)C1 1059773516 PHVARDWYZAAEQN-HFBDOXOYSA-N 314.349 -0.066 30 20 DBED C[C@@H]1OCCO[C@@H]1C(=O)N[C@H]1C[C@@H](N=c2cc[nH]c(C#N)n2)C1 1059868010 BSWFEMLXBIHVOX-DYNIEEOBSA-N 317.349 -0.367 30 20 DBED C=CCOCCCC(=O)NC[C@@H]1COCCN1C(=O)COC 1061465005 JINAUIZIZQIYQL-CYBMUJFWSA-N 314.382 -0.041 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H]1COCCN1C(=O)CCCC 1061516168 TUEFYPDCWNMGFT-ZDUSSCGKSA-N 323.393 -0.340 30 20 DBED CC(C)C#CC(=O)NC[C@H]1COCCN1C(=O)[C@H]1COC(=O)N1 1061565870 ANRCGDGULUGTGN-NWDGAFQWSA-N 323.349 -0.902 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCOC[C@H]1CNC(=O)c1cnco1 1061731170 XYLYMRWWYFDDSJ-ABAIWWIYSA-N 323.349 -0.041 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(NC(=O)[C@@H]2CCC(=O)N2)CCC1 1063043013 HKHVOVNCEGGWIH-NEPJUHHUSA-N 321.377 -0.542 30 20 DBED N#Cc1ccc(N2CCO[C@@H](CNC(=O)[C@@H]3CCOC3)C2)nn1 1063619381 SYHMHJUBATUHER-YPMHNXCESA-N 317.349 -0.294 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)CCn2cnnn2)CCC1 1064199896 LZQBIMKILNHZJE-JTQLQIEISA-N 305.342 -0.622 30 20 DBED C=CCO[C@H](C)C(=O)NC[C@@H]1CN(C(=O)CCOC)CCO1 1064736270 RUAPUSMWWDEWQL-CHWSQXEVSA-N 314.382 -0.042 30 20 DBED C=CCCCC(=O)NC[C@@H]1CN(C(=O)[C@H]2CCNC2=O)CCO1 1065420281 HSXZXRBZABDWRE-OLZOCXBDSA-N 323.393 -0.178 30 20 DBED C[C@H]1CN(C(=O)CS(C)(=O)=O)C[C@@H]1Nc1nccnc1C#N 1067049065 INYKBUAKTVAXAO-ONGXEEELSA-N 323.378 -0.348 30 20 DBED C#CCCCCC(=O)N1CCOC2(C1)CN(C(=O)CC(N)=O)C2 1068383960 IJUNHZDTZFCNIS-UHFFFAOYSA-N 321.377 -0.505 30 20 DBED C=CCCCC(=O)N1CCOC2(C1)CN(C(=O)CC(N)=O)C2 1068447305 ATKDOMLCXFUYQB-UHFFFAOYSA-N 309.366 -0.342 30 20 DBED N#Cc1nc(=NC[C@H]2C[C@H](NC(=O)Cn3cncn3)C2)cc[nH]1 1068490466 UTQSSOMEFJLESW-XYPYZODXSA-N 312.337 -0.631 30 20 DBED C#CCOCCC(=O)N[C@@H]1COC2(C1)CN(C(=O)COCC)C2 1068867913 GCMRYSLNCDIUEG-ZDUSSCGKSA-N 324.377 -0.451 30 20 DBED C=CCOCC(=O)N[C@@H]1CCCN(C(=O)CS(C)(=O)=O)C1 1070495682 NQJHBONTKUURKL-LLVKDONJSA-N 318.395 -0.659 30 20 DBED CC#CCCCC(=O)N[C@@H]1CCCN(C(=O)Cn2ncnn2)C1 1070775679 OKOURPWAGXMDOS-CYBMUJFWSA-N 318.381 -0.026 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)Cc2ccon2)CC1 1070948286 GKXOYZXDSUQGOS-UHFFFAOYSA-N 304.350 -0.499 30 20 DBED C#CCN1CC[C@@]2(C1)CN(C(=O)c1ncn(C)n1)C[C@@H](C)O2 1071165138 XYOBIXAHDHSMGP-IUODEOHRSA-N 303.366 -0.246 30 20 DBED C[C@H]1CN(C(=O)CSCC#N)C[C@@H]1NC(=O)c1cnnn1C 1071660776 BHHWRRALUZDJCX-UWVGGRQHSA-N 322.394 -0.351 30 20 DBED C#CCCN1CCC2(C1)CN(C(=O)CN1C(=O)CNC1=O)C2 1073413263 SHXJEZMQVUYRAJ-UHFFFAOYSA-N 304.350 -0.904 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)[C@@H]2CCc3nn[nH]c3C2)C1 1073859823 UAOJCRKEGJOAGA-OLZOCXBDSA-N 317.393 -0.250 30 20 DBED C=CCN1CCCO[C@@H](CNC(=O)[C@@H]2CCS(=O)(=O)N2)C1 1073893676 YVPMJOBTLPWJTR-RYUDHWBXSA-N 317.411 -0.929 30 20 DBED C=CCOCC(=O)N1CC[C@@H](NC(=O)c2ncn(C)n2)[C@@H](C)C1 1073926914 MHGZUQFAJFJXLF-NWDGAFQWSA-N 321.381 -0.016 30 20 DBED C[C@H](C#N)C(=O)N1CCC(O)(CNC(=O)c2ncccn2)CC1 1074704693 GNAQCWRINIMXTF-LLVKDONJSA-N 317.349 -0.280 30 20 DBED C=CCCC(=O)NCC[C@H](C)NC(=O)C[C@@H]1NC(=O)NC1=O 1075887743 DCKLCJPRHRGTJB-UWVGGRQHSA-N 310.354 -0.438 30 20 DBED C#CCN1C[C@@H]2CCN(C(=O)C3CC4(C3)CS(=O)(=O)C4)[C@@H]2C1 1075944946 VZVWEIJKRYTVFQ-GXTWGEPZSA-N 322.430 -0.023 30 20 DBED C#CCN1CCC(C(=O)N[C@@H]2CN(C[C@@H](C)OC)C[C@H]2O)CC1 1078227088 ILVGVVWFQBPHNS-FVQBIDKESA-N 323.437 -0.472 30 20 DBED C=CCCC(=O)NC1(CO)CCN(C(=O)c2cnn(C)n2)CC1 1080767142 SJCWTNDDKRKGSH-UHFFFAOYSA-N 321.381 -0.135 30 20 DBED CC(C)C#CC(=O)N1C[C@H](CNC(=O)c2cnco2)[C@@H](O)C1 1081623246 JAHVEEMKVVSGCF-RYUDHWBXSA-N 305.334 -0.117 30 20 DBED CCN(C)CCC(=O)NC[C@@H]1CN(C(=O)C#CC(C)C)C[C@@H]1O 1081773703 FHAVNODHUDMXHI-CABCVRRESA-N 323.437 -0.077 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CN([C@H](C)COC)C[C@@H]2O)nn1 1083843364 DXYZUKFVLVMVCP-WZRBSPASSA-N 309.370 -0.726 30 20 DBED CCO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1CN[C@H]1CCNC1=O 1087053401 NJZSOAWOMQTOEP-QLFBSQMISA-N 319.405 -0.259 30 20 DBED C=C(C)CCN1CC[C@@H](NC(=O)C2CS(=O)(=O)C2)[C@@H](O)C1 1090291826 JYDIJCYQZDULNP-OLZOCXBDSA-N 316.423 -0.451 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2nc3ncc(C)cn3n2)[C@@H](O)C1 1090349660 OZISZYNLCYEAOV-NEPJUHHUSA-N 314.349 -0.769 30 20 DBED CC(=O)N[C@H](C)C(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1O 1090368993 OUNAOMGUUSKWIA-OWYVNGRQSA-N 317.349 -0.856 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(c2ccc(C)nn2)C[C@H]1O 1090488664 NBXRWAOSDWJCQO-JHJVBQTASA-N 304.350 -0.511 30 20 DBED Cn1nc(C(=O)N[C@@H]2CCN(CC#N)C[C@@H]2O)c2c1CCCC2 1090584985 XGHJJNOUIPJNRD-OCCSQVGLSA-N 317.393 -0.013 30 20 DBED Cc1ccn2ncc(C(=O)N[C@H]3CCN(CC#N)C[C@H]3O)c2n1 1090734832 QWOLDNIRDGNDMJ-QWHCGFSZSA-N 314.349 -0.274 30 20 DBED CCO[C@H](CC)C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@@H]1O 1091078468 STTYTPVRNIBSAM-FRRDWIJNSA-N 319.365 -0.171 30 20 DBED C=CCNC1CC(CNC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 1091171982 MNQVAJHKGLDXTQ-UHFFFAOYSA-N 316.369 -0.022 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)C3(CF)CC3)C2)nn1 1091181096 UAKVWVVGSMKAOG-MNOVXSKESA-N 305.313 -0.236 30 20 DBED CNC(=O)NCC(=O)NC[C@H]1C[C@H](Nc2nccnc2C#N)C1 1091520923 WHUZSZQLPVPGON-MGCOHNPYSA-N 317.353 -0.416 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CN(CCN3CCNC3=O)C[C@@]2(C)C1 1091543220 FYQLDRAPUZZHOW-ZENOOKHLSA-N 319.409 -0.048 30 20 DBED C#CCN1C[C@@H]2CN(C(=O)[C@H](C)N3C(=O)CCC3=O)C[C@]2(C)C1 1091716093 HIRPXCQEITXFTA-AHIWAGSCSA-N 317.389 -0.063 30 20 DBED N#Cc1cncc(N2CC[C@@]3(CNC(=O)C(N)=O)CCC[C@@H]23)n1 1092712639 ASXXTWDMKMSDQN-IAQYHMDHSA-N 314.349 -0.301 30 20 DBED CS(=O)(=O)CCCC(=O)NCCNc1cncc(C#N)n1 1093723078 IKSHVDAWYFIEIE-UHFFFAOYSA-N 311.367 -0.299 30 20 DBED C[C@@H](C(=O)NCCNc1cnc(C#N)cn1)[C@H]1CCC(=O)N1 1094133478 QASDXZJWIBNNRQ-MWLCHTKSSA-N 302.338 -0.209 30 20 DBED N#Cc1cncc(NCCCNC(=O)CNC(=O)C2CC2)n1 1094317956 IMBJDHKFWSTYDY-UHFFFAOYSA-N 302.338 -0.207 30 20 DBED CC#CCN1CC(N2C[C@H](NC(=O)c3cnsn3)CC2=O)C1 1094711593 IXXPHZQNTVZDCZ-SNVBAGLBSA-N 319.390 -0.424 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)CC3OCCCO3)CC2=O)C1 1094726035 DEJOZSSCGYWJHH-GFCCVEGCSA-N 323.393 -0.273 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)c3nn(C)cc3C)CC2=O)C1 1094737552 WLYPQLZEYUYSSL-GFCCVEGCSA-N 317.393 -0.071 30 20 DBED Cn1c(C(=O)NCCCN=c2cc[nH]c(C#N)n2)cccc1=O 1094785170 HAFRFJBATGSUNT-UHFFFAOYSA-N 312.333 -0.299 30 20 DBED C[C@@H]1CCN(CC(=O)N[C@@H]2CC(=O)N(C3CN(CC#N)C3)C2)C1 1094786974 HTVQYNPBNYPIQA-CHWSQXEVSA-N 319.409 -0.747 30 20 DBED C[C@H](CC(N)=O)C(=O)N1CC[C@@H](N=c2cc[nH]c(C#N)n2)C1 1095077133 KJIHYFZNGJUULT-NXEZZACHSA-N 302.338 -0.706 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN1CCN(C)C(=O)C1 1095648292 RUXNBICVLOULRC-RDBSUJKOSA-N 304.394 -0.885 30 20 DBED N#Cc1nccc(N2CC[C@@H](NC(=O)CCn3cncn3)C2)n1 1096315413 NPAIYYHFLKMGEA-LLVKDONJSA-N 312.337 -0.275 30 20 DBED N#Cc1nccc(N2CC[C@H](NC(=O)CO[C@H]3CCOC3)C2)n1 1096439031 BMIMCHQPPHCCNW-RYUDHWBXSA-N 317.349 -0.151 30 20 DBED CC(=O)NC(C)(C)C(=O)N1CC[C@H](N=c2cc[nH]c(C#N)n2)C1 1096945091 CPZISVAEWYFWFN-NSHDSACASA-N 316.365 -0.302 30 20 DBED C[C@H](CNC(=O)Cn1cnnc1O)Nc1ccc(C#N)cn1 1097788089 UTKQYPQECGZYQA-SECBINFHSA-N 301.310 -0.133 30 20 DBED C[C@@H](CNC(=O)C[C@H]1CC(=O)NC1=O)Nc1ncccc1C#N 1097943423 DPPLJSCKSIEBNU-ONGXEEELSA-N 315.333 -0.077 30 20 DBED C#CCN1C[C@@H]2CCC[C@]2(NC(=O)CN2CCNC(=O)C2)C1 1098974306 OKSCNJVSHGWXLV-BBRMVZONSA-N 304.394 -0.978 30 20 DBED Cn1cc(CN2CC[C@H](NC(=O)CSCC#N)[C@H](O)C2)cn1 1099690629 RRRGYACMLHLCOM-QWHCGFSZSA-N 323.422 -0.272 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(Cc2cnn(C)n2)C[C@@H]1O 1099739069 WLOGKGGEUHQONQ-STQMWFEESA-N 309.370 -0.931 30 20 DBED CC(C)C#CC(=O)N[C@H]1CCN(CC(=O)N2CCCC2)C[C@H]1O 1099820281 CMZSNPFDFVMOGJ-LSDHHAIUSA-N 321.421 -0.180 30 20 DBED C#CCN1CC[C@@H](NC(=O)CNC(=O)CC2CCCC2)[C@H](O)C1 1100031986 MWMFMBSNVQHNAA-HUUCEWRRSA-N 321.421 -0.133 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2c(C)n[nH]c2C)[C@H](O)C1 1100038085 DEOXFPGDKWOOKZ-UONOGXRCSA-N 320.393 -0.159 30 20 DBED CN(CCNC(=O)[C@@H]1CCNC(=O)CC1)c1ccc(C#N)nn1 1100237360 FYWKBWASEMGHSZ-NSHDSACASA-N 316.365 -0.183 30 20 DBED CCc1nc(C(=O)NCC2CC(NCC(=O)NCC#N)C2)co1 1100262731 FUGKFVWVGAKVDV-UHFFFAOYSA-N 319.365 -0.025 30 20 DBED CN(CCNc1cnc(C#N)cn1)C(=O)[C@@H]1CCCS1(=O)=O 1101641972 JFQIMIJXAKBNER-NSHDSACASA-N 323.378 -0.204 30 20 DBED CC(C)C[C@@H](C(N)=O)C(=O)N(C)CCN=c1cc[nH]c(C#N)n1 1101672039 SHUVSFXJDKYIDP-NSHDSACASA-N 318.381 -0.212 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)[C@H]1CCN(C)C1=O 1101907696 MRZZQGCDCTUKOK-JTQLQIEISA-N 302.338 -0.881 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)c1cn(C)nn1 1103927764 RVJGSQIKUTTYKG-VIFPVBQESA-N 300.326 -0.623 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H](O)CNC(=O)c1ncccc1O 1105801811 CFGSZDGXWBXHJR-LLVKDONJSA-N 313.317 -0.321 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)Cn2cncn2)cn1 1105838740 CINSOGXDVXYIAG-LBPRGKRZSA-N 301.310 -0.866 30 20 DBED Cc1n[nH]c(C)c1C(=O)NC[C@H](O)CNc1cncc(C#N)n1 1105934294 HGMLEBVLCSFDHM-LLVKDONJSA-N 315.337 -0.109 30 20 DBED N#Cc1cnc(NC[C@H](O)CNC(=O)Cc2nc[nH]n2)c(F)c1 1105960040 XBJKLDYNTRHHJD-SECBINFHSA-N 319.300 -0.658 30 20 DBED C=CCCCC(=O)NC[C@@H](O)CN=c1cc[nH]c(C(=O)OC)n1 1106072194 AOWLFPNFYOUPJO-NSHDSACASA-N 322.365 -0.070 30 20 DBED Cc1nc(NC[C@H](O)CNC(=O)CC(=O)N(C)C)ccc1C#N 1106133581 KNOSXZYQEARUNJ-LBPRGKRZSA-N 319.365 -0.371 30 20 DBED C[C@@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)[C@H]1CCC(=O)N1 1106272374 XAMVPAXHDBYGHC-VHSXEESVSA-N 302.338 -0.645 30 20 DBED C=CCCN1CC(n2cc(CNC(=O)Cn3cncn3)nn2)C1 1107234552 INNCZADTOWRVKI-UHFFFAOYSA-N 316.369 -0.381 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@]1(C)CN(CC(=O)N(C)C2CC2)CCO1 1107818528 BJZOVXPABPKGLG-LRDDRELGSA-N 322.409 -0.026 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)[C@H](OC)C3CC3)CC2=O)C1 1108541296 SXQQWEUZRVEXLB-SWLSCSKDSA-N 305.378 -0.554 30 20 DBED C[C@@H](CNc1ccc(C#N)nc1)NC(=O)CN1CCNC(=O)C1 1108632722 QVRLGYMKOYIQQJ-NSHDSACASA-N 316.365 -0.698 30 20 DBED C#CCNC(=O)CN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cnn[nH]1)C2 1108719618 VJSQKCHTFBWSCJ-TUAOUCFPSA-N 316.365 -0.863 30 20 DBED CNC(=O)NCC(=O)NCC1(Nc2cncc(C#N)n2)CC1 1110380685 DJZZTZILXADJPQ-UHFFFAOYSA-N 303.326 -0.662 30 20 DBED CNC(=O)CC(=O)N1CCC[C@H]1CNc1nccnc1C#N 1110539920 RRZMHUGOKYJJIP-JTQLQIEISA-N 302.338 -0.113 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H]1CNC(=O)N1 1110957774 ANRUFHOCRVNVBP-LPWJVIDDSA-N 306.366 -0.961 30 20 DBED COCCCC(=O)NC[C@]1(O)CCN(c2cnc(C#N)cn2)C1 1111051246 ZMXIEOFWWJXMJQ-OAHLLOKOSA-N 319.365 -0.168 30 20 DBED CNC(=O)CC(=O)N1C[C@H](CNc2cnc(C#N)cn2)[C@@H](C)C1 1111243594 LRPMOTQHAUVAHZ-QWRGUYRKSA-N 316.365 -0.009 30 20 DBED N#Cc1ccc(NCCN(CCO)C(=O)[C@@H]2CCC(=O)N2)nc1 1111490417 GTMHTXQZHLPYSA-LBPRGKRZSA-N 317.349 -0.535 30 20 DBED N#Cc1cccnc1N1CCOC[C@@H]1CNC(=O)CC(N)=O 1111679387 KUNNOVBQULCDFW-NSHDSACASA-N 303.322 -0.850 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H]1COCCN1c1cc(F)ncn1 1111699867 DJQOQTKCPLZHQT-NEPJUHHUSA-N 322.340 -0.025 30 20 DBED C#CCN1C[C@@H]2CCC[C@]2(NC(=O)CCS(=O)(=O)NC)C1 1111745244 OFFHQRQDTAFHKZ-JSGCOSHPSA-N 313.423 -0.470 30 20 DBED CC(=O)NCC(=O)NCC1(Nc2nccnc2C#N)CCC1 1111748463 YGTKSKCOHXBXDT-UHFFFAOYSA-N 302.338 -0.065 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@H]3C=C[C@H]2O3)CC1 1113037483 KOWFAYSBSTZPML-JHJVBQTASA-N 304.350 -0.886 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)[C@@H](C)OCC=C)CC1 1113714638 IIMYDNYAGDJACJ-ZIAGYGMSSA-N 307.394 -0.140 30 20 DBED N#CCSCC(=O)NC1[C@H]2CN(CC(=O)N3CCCC3)C[C@H]12 1113891547 UGJTUZAUDCWLMA-RYUDHWBXSA-N 322.434 -0.088 30 20 DBED C=CCOCC(=O)N[C@H]1[C@@H]2CN(CCCS(C)(=O)=O)C[C@@H]21 1114050594 GBUHTDBPRGGWPK-IMRBUKKESA-N 316.423 -0.330 30 20 DBED CC(C)C#CC(=O)NC1[C@@H]2CN([C@@H](C)C(=O)NC(N)=O)C[C@@H]12 1114234302 JHWYTLZANXCWCT-HBNTYKKESA-N 306.366 -0.724 30 20 DBED C#CCOCCC(=O)N[C@H]1[C@@H]2CN([C@H](C)C(=O)NC3CC3)C[C@@H]21 1114262274 AXTISEXRKTUUMT-UYHMYPTGSA-N 319.405 -0.260 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H]1[C@@H]2CN(CC(=O)N3CCCC3)C[C@@H]21 1114262375 CMHWSTWJXLVTCF-NYTXWWLZSA-N 319.405 -0.307 30 20 DBED Cc1occc(=O)c1OCC(=O)NC1[C@H]2CN(CC#N)C[C@H]12 1114554038 YIIBAWFIFQXLAW-QWRGUYRKSA-N 303.318 -0.103 30 20 DBED CC[C@@H](C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21)N(C)C 1114846505 LGCIIYBINDMIAD-KZVDOYCCSA-N 307.398 -0.987 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)c3cccnn3)[C@H]2C1 1115006116 ZDGSBWMSDLZOLQ-QWRGUYRKSA-N 301.350 -0.561 30 20 DBED C=C(Cl)CN1C[C@H]2[C@H](NC(=O)CS(=O)(=O)N(C)C)[C@H]2C1 1115184372 KQHVFYOTNKVZFH-IAZYJMLFSA-N 321.830 -0.323 30 20 DBED O=C(CNC[C@@H]1CCCO1)NCCN/C(O)=C1/N=CC=CC1=O 1118134837 ZJJPRQGTZDDLFE-ICFTUWFRSA-N 322.365 -0.602 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)C(=O)N2CCO[C@@H](C(F)F)C2)C1 1119007543 KIVBLTXERMOQBI-NOZJJQNGSA-N 317.292 -0.644 30 20 DBED C#CC[C@@H](NC(=O)CN1CCN(c2ccccn2)CC1)C(=O)O 1119644775 LAFGSLNVGOGUOH-CYBMUJFWSA-N 316.361 -0.204 30 20 DBED C#CCCNC1CC2(C1)CC(NC(=O)Cn1ncn(C)c1=O)C2 1121333346 IWJUPJFHYQMNRG-UHFFFAOYSA-N 317.393 -0.378 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)C[C@@H]2CCOC2)nn1 1121400131 TYLRYBLYZMQBCW-CMPLNLGQSA-N 305.338 -0.336 30 20 DBED Cc1nc(N[C@H](CO)CNC(=O)[C@@H]2CCC(=O)N2)ccc1C#N 1121818817 NLVBSOYKAHDDOW-RYUDHWBXSA-N 317.349 -0.571 30 20 DBED N#Cc1cnc(N[C@H](CO)CNC(=O)Cc2nc[nH]n2)c(F)c1 1121994531 QTBNNBMHXDRKQL-VIFPVBQESA-N 319.300 -0.658 30 20 DBED N#Cc1nc(=N[C@H](CO)CNC(=O)[C@@H]2CCC2(F)F)cc[nH]1 1122163812 HFVUKJLNNWOQQZ-IUCAKERBSA-N 311.292 -0.296 30 20 DBED Cc1cc(C(=O)NC[C@@H](CO)N=c2cc[nH]c(C#N)n2)c(C)[nH]1 1122624053 XTYKXGFYTRTTFJ-NSHDSACASA-N 314.349 -0.082 30 20 DBED C=CCOCC(=O)NCCNCc1nc(O)c2cnn(C)c2n1 1124765196 OAXFVFIDSPGTIW-UHFFFAOYSA-N 320.353 -0.523 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)c1cnccc1C 1125195432 RLWZLRGXKLAMOV-UHFFFAOYSA-N 319.365 -0.279 30 20 DBED COCCN(CCNC(=O)CNC(C)=O)c1cnc(C#N)cn1 1126181305 YWIULLOFADBFKD-UHFFFAOYSA-N 320.353 -0.947 30 20 DBED O=C(Cn1ncnn1)NCCNCC#Cc1ccc(F)cc1 1127433136 GZVRLYJQHHFZNB-UHFFFAOYSA-N 302.313 -0.430 30 20 DBED N#CCNC(=O)CNCCNC(=O)Cc1ccc(F)cc1F 1127816299 NRDCPQGUKOBYGM-UHFFFAOYSA-N 310.304 -0.147 30 20 DBED C#CCCN1CCn2ncc(CNC(=O)Cn3cnnn3)c2C1 1128223820 DCOWRTQCAJSVKP-UHFFFAOYSA-N 314.353 -0.975 30 20 DBED C=CCCN1CCn2ncc(CNC(=O)[C@H](C)NC(N)=O)c2C1 1128316037 GLVQQAZIKFTHRO-NSHDSACASA-N 320.397 -0.052 30 20 DBED C=C(C)CN[C@@H]1CN(C(=O)CN(C)C(C)=O)C[C@@H]1n1ccnn1 1129603994 SQNDHTGTCYQJCJ-KGLIPLIRSA-N 320.397 -0.326 30 20 DBED CCC(=O)NCC(=O)NCc1c[nH]nc1[C@@H]1CCN(CC#N)C1 1130361215 JAPASABUYNNPOY-LLVKDONJSA-N 318.381 -0.135 30 20 DBED C#CCNC[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)COCC)n2)O1 1130756502 KSPFUAPHRUTDHZ-NWDGAFQWSA-N 321.381 -0.100 30 20 DBED CC(C)(C)C#CC(=O)N1C[C@@H]2C[C@@H]3CN(CC(N)=O)C[C@]2(C1)O3 1131227124 HUYQOEXSDSGVIW-OGHNNQOOSA-N 319.405 -0.177 30 20 DBED C#CCCN[C@H](C)C[C@H](C)NC(=O)CN(C)S(C)(=O)=O 1134508467 CLHZXWJEFSURKM-NEPJUHHUSA-N 303.428 -0.226 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)C1(N(C)C)CCC1)NCC(=O)NCC#N 1134583466 KTQSGQGTCXKPKO-QWHCGFSZSA-N 323.441 -0.017 30 20 DBED C[C@@H](C[C@@H](C)NCC(=O)NCC#N)NC(=O)CCc1cn[nH]c1 1135652419 ZZHQDSQWESKITO-NEPJUHHUSA-N 320.397 -0.145 30 20 DBED CC(C)N(C)CC(=O)N[C@@H](C)C[C@H](C)NCC(=O)NCC#N 1146592294 IZRFFDIOIIXJMP-STQMWFEESA-N 311.430 -0.161 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@]1(C)CCN(C(C)=O)C1 1146995704 XKHZNWAUGZUOQH-OAHLLOKOSA-N 310.398 -0.747 30 20 DBED CC#CCN1CCCO[C@@H](CNC(=O)C[C@@H](C)NC(N)=O)C1 1149722025 VKPWYAILAKULOZ-OLZOCXBDSA-N 310.398 -0.336 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)[C@H](C)N2C(=O)CCC2=O)C1 1149816514 BQFKGAMTSRSQKA-STQMWFEESA-N 321.377 -0.636 30 20 DBED CC(C)(C(=O)NC[C@@H]1CN(CC#N)CCCO1)S(C)(=O)=O 1150411057 SMYQXWNIJNNSOM-LLVKDONJSA-N 317.411 -0.460 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)[C@@H](CCC)NC(N)=O)C1 1150654546 XIGZRWKGADMCOA-CHWSQXEVSA-N 310.398 -0.336 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H](C)N(CC)Cc1ccn(C)n1 1152855246 ZZAGANWYFVZSFZ-CYBMUJFWSA-N 319.409 -0.114 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)C2CN(C(C)=O)C2)C1=O 1157116888 SKNFHGJPWLPMIZ-AWEZNQCLSA-N 322.409 -0.653 30 20 DBED C=C[C@](C)(O)CC(=O)NCCCNCC(=O)NCCOCC 1157189063 FWYAEQKXEMGHGG-HNNXBMFYSA-N 315.414 -0.438 30 20 DBED CCO[C@H](C)C(=O)NCCC1(CNCC(=O)NCC#N)CC1 1163529162 FFRVWGJYVTUHBE-GFCCVEGCSA-N 310.398 -0.073 30 20 DBED COc1c(C(=O)NCCCNCC(=O)NCC#N)c(C)nn1C 1167492495 XGTDHPQOWONKER-UHFFFAOYSA-N 322.369 -0.914 30 20 DBED C[C@@](O)(CC(=O)N1CC[C@@H](NCC(=O)NCC#N)C1)C1CC1 1182051105 HUGGDUSFOXQXRJ-IUODEOHRSA-N 308.382 -0.632 30 20 DBED C#CCNC[C@H]1CCN(C(=O)CCNC(=O)COC)C[C@@H]1C 1184524646 SQHRSOZBXYRINW-UONOGXRCSA-N 309.410 -0.154 30 20 DBED C=CCOCCN1C[C@@H]2CCN(C(=O)CS(C)(=O)=O)[C@@H]2C1 1187086595 NLJDRMBFLJUOGN-QWHCGFSZSA-N 316.423 -0.234 30 20 DBED Cn1ccc(C(=O)N2CC[C@H]3CN(CC(=O)NCC#N)C[C@H]32)c1 1187518353 RDYDBXXWSSTZLK-GXTWGEPZSA-N 315.377 -0.189 30 20 DBED Cn1ncnc1COCC(=O)N1CC[C@H]2CN(CC#N)C[C@H]21 1189612409 UQZMZUCBEVVQFL-NWDGAFQWSA-N 304.354 -0.612 30 20 DBED CN(CC(=O)NCC#N)[C@H]1CCN(C(=O)Cc2ccnn2C)C1 1189867759 ZEIJVQDMCBPLBA-ZDUSSCGKSA-N 318.381 -0.865 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@H](N(C)Cc2nc(=O)n(C)[nH]2)C1 1190096132 XSMSSHBRIAVXEP-NEPJUHHUSA-N 321.381 -0.821 30 20 DBED Cn1nccc1CN1C[C@@H](O)[C@H](NC(=O)CSCC#N)C1 1191162310 QCRZIVFZGWFTDQ-VXGBXAGGSA-N 309.395 -0.662 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(Cc2nnc(CC)o2)C[C@H]1O 1191771830 RQYNFWADIJORIK-GHMZBOCLSA-N 310.354 -0.504 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)[C@@H]2CCN(C)C2=O)C1 1191840087 SXBDHIIREGPYNA-QWHCGFSZSA-N 322.409 -0.700 30 20 DBED CC(C)n1ncnc1CN1C[C@@H](O)[C@H](NC(=O)[C@H](C)C#N)C1 1191855058 VRZJQOVCVBIROR-IJLUTSLNSA-N 306.370 -0.320 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2cc(C)n(C)n2)C[C@H]1O 1192891535 NOAIOKSULSHNMC-BPLDGKMQSA-N 320.393 -0.572 30 20 DBED COCC#CCN(C)[C@@H]1CCN(C(=O)COCCN(C)C)C1 1193489482 XKACLCKIJBOYBC-OAHLLOKOSA-N 311.426 -0.253 30 20 DBED Cc1nn(C)cc1C(=O)N1CCCN(CC(=O)NCC#N)CC1 1195364306 NLLHXJADEXAEFS-UHFFFAOYSA-N 318.381 -0.484 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)[C@@H]2CCCNC2=O)CC1 1196215460 JKPMTLMBITYUBV-CYBMUJFWSA-N 322.409 -0.651 30 20 DBED C#CCNC(=O)[C@H](C)N1CCCN(C(=O)c2nonc2C)CC1 1198372371 BXJWBMMQFFBIMT-LBPRGKRZSA-N 319.365 -0.336 30 20 DBED C=CCOCCNC[C@@H]1CN(C(=O)CNC(C)=O)CCCO1 1199716897 QAVWXIYCDKXZKU-CQSZACIVSA-N 313.398 -0.468 30 20 DBED C=C(C)CNCC1CCN(C(=O)CNS(=O)(=O)NC)CC1 1205761983 HEFOZAJAYACWRT-UHFFFAOYSA-N 318.443 -0.556 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)[C@H]2CCC(=O)NC2)[C@H](C)C1 1207794621 BYBNTZQUPUUEPN-FRRDWIJNSA-N 322.409 -0.749 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCC[C@@H](NCC(=O)NC(N)=O)C1 1207951245 RCPHTZDYANXAMW-YGRLFVJLSA-N 312.370 -0.911 30 20 DBED CC#CCN[C@H]1CCCN(C(=O)CC[C@H]2NC(=O)NC2=O)C1 1210995380 SKFFVFRPACODJP-NWDGAFQWSA-N 306.366 -0.422 30 20 DBED C=CCCC(=O)N[C@@H]1CN(CC(=O)NC(=O)NC)C[C@H]1OC 1211999780 XUDIBRKUGRHEJD-GHMZBOCLSA-N 312.370 -0.776 30 20 DBED C#CCN[C@@H]1CN(C(=O)CCCN2C(=O)CNC2=O)C[C@H]1C 1216721270 NURKWCSJACWQOM-VXGBXAGGSA-N 306.366 -0.612 30 20 DBED C=CCCO[C@@H](C)C(=O)N[C@@H]1CN(CCn2cncn2)C[C@@H]1O 1219312680 MMHQFHMDTLBFJT-MJBXVCDLSA-N 323.397 -0.579 30 20 DBED COc1cccc(CN2C[C@H](O)[C@H](NC(=O)[C@@H](C)C#N)C2)n1 1219379221 OVPZFVYPZOKFJB-UHTWSYAYSA-N 304.350 -0.089 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)/C=C\c2ccc[nH]2)C1 1219519675 WLCXXPZBJMGVRW-WJNHHXLDSA-N 303.362 -0.161 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)c2c[nH]cc2C)C1 1220978045 JRYRYRNETCFZNL-YUTCNCBUSA-N 318.377 -0.764 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@H]2CCN(CCOCCO)C[C@H]21 1221544458 WJSXKOPQYACVIE-RRFJBIMHSA-N 310.394 -0.434 30 20 DBED N#CCN1CC[C@@H]2CN(C(=O)CCCn3c(O)nnc3O)[C@@H]2C1 1221662276 FRTMWYIHGGYJBA-GHMZBOCLSA-N 320.353 -0.474 30 20 DBED NC(=O)NC(=O)CN1CCC(CNC(=O)C#CC2CC2)CC1 1223130726 QZKBLLXUXCBSIE-UHFFFAOYSA-N 306.366 -0.577 30 20 DBED COCC#CCN1CCC(CNC(=O)[C@H]2CC[C@H]2C(N)=O)CC1 1224013987 OXYXSIXDYPXTTK-CABCVRRESA-N 321.421 -0.024 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)[C@H]2OCC[C@H]2C)CC1 1224582983 GJPUXCKJGKNECG-CJNGLKHVSA-N 321.421 -0.011 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)C2(C(N)=O)CC2)CC1 1228920698 ZJMUEMVKTCXKAX-UHFFFAOYSA-N 308.382 -0.865 30 20 DBED C=CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)CCn1cncn1 1230776707 UGOXXFMZBIPPPP-CYBMUJFWSA-N 320.397 -0.497 30 20 DBED C=CCCN1CC[C@H]1CN(C)C(=O)CN(C)S(C)(=O)=O 1234973780 KDOZDFHALSOFQJ-LBPRGKRZSA-N 303.428 -0.013 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC[C@@H]1CN(C)C(=O)C(C)(C)C(N)=O 1235589275 PPIPZWZULWIOSS-VXGBXAGGSA-N 324.425 -0.279 30 20 DBED C=CCNC(=O)CN1CC[C@H]1CN(C)C(=O)C(C)(C)C(N)=O 1235602016 NGTYKYTUUNWEER-NSHDSACASA-N 310.398 -0.667 30 20 DBED C#CCOCCNC(=O)C(=O)NC[C@@H](c1ccco1)N(C)C 1260175780 AJECOYRBDJQYRV-LBPRGKRZSA-N 307.350 -0.236 30 20 DBED N#CCCCNC(=O)C(=O)NCCCN1CCC[C@@H](C(N)=O)C1 1322607442 GISGPUAUDAJBGI-GFCCVEGCSA-N 323.397 -0.890 30 20 DBED C=CCN1CCC(NC(=O)C(=O)NC2CN(C(=O)OC)C2)CC1 1322801544 BNHVORWLSZHKPW-UHFFFAOYSA-N 324.381 -0.680 30 20 DBED N#CCN1CCC(NC(=O)C(=O)N[C@@H]2CCC[C@H]2CCO)CC1 1324437371 ZFHQYZMXQCFRPD-GXTWGEPZSA-N 322.409 -0.242 30 20 DBED C#CCSCCNC(=O)C(=O)N1CC[C@H](C(=O)OC)[C@@H]1C 1326870586 OXSVXVFHNFCIKP-QWRGUYRKSA-N 312.391 -0.121 30 20 DBED C#CCSCCNC(=O)C(=O)N[C@@H](C)CO[C@@H]1CCOC1 1329421432 RUGPHLOYDDRKPR-NWDGAFQWSA-N 314.407 -0.221 30 20 DBED N#C[C@@]1(F)CCN(C(=O)C(=O)N2CCO[C@@H](C(F)F)C2)C1 1329717936 CMRPUXWFTISZSS-PELKAZGASA-N 305.256 -0.057 30 20 DBED C[C@@H]1CCCN(C(=O)C(=O)N2CCO[C@H](C#N)C2)[C@@H]1CCO 1329754164 FUWZFQXDSSQOLV-JHJVBQTASA-N 309.366 -0.253 30 20 DBED C#CC[C@H]1NC(=O)N([C@H]2CCc3nc(COC)nn3C2)C1=O 1332447608 VDOSJYOZUNNIJR-VHSXEESVSA-N 303.322 -0.317 30 20 DBED C[C@@H]1COCCN(C(=O)C(=O)N2CCN(CCC#N)CC2)C1 1335011268 FXJYMYRNWULHFA-ZDUSSCGKSA-N 308.382 -0.461 30 20 DBED C#CCNC(=O)C1CCN(C(=O)[C@@H](C)CS(C)(=O)=O)CC1 1340048543 BTOBJUIEIGXUTK-NSHDSACASA-N 314.407 -0.345 30 20 DBED C#CCNC(=O)C1CCN(c2nnnn2C[C@@H]2CCOC2)CC1 1340344096 PATPMOQASKIGCH-LBPRGKRZSA-N 318.381 -0.325 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)NC1CCSCC1 1341209122 CLUPIFNGJSFIPS-UHFFFAOYSA-N 320.436 -0.285 30 20 DBED COC1CC(C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)C1 1341851257 TVWMFXCYDDWWCU-ILDUYXDCSA-N 314.363 -0.623 30 20 DBED C=CCNC(=O)CNC(=O)C1CCN(S(=O)(=O)CC)CC1 1341879099 YJQPWNHTGBVQNY-UHFFFAOYSA-N 317.411 -0.534 30 20 DBED C=CCn1c([C@@H](O)COC)nnc1N1CCN(C)C(=O)[C@H]1C 1342472190 OMVLKSIKZKXDNJ-MNOVXSKESA-N 309.370 -0.189 30 20 DBED C=C(CC)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1347282399 FNMZQZGGFVXOBN-UHFFFAOYSA-N 309.366 -0.518 30 20 DBED COC(=O)c1ccc(=O)n(CC(=O)N(CCC#N)CCC#N)n1 1364277615 FQVNUERLMZEGCP-UHFFFAOYSA-N 317.305 -0.314 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)NCCN1CCNC1=O 1365461467 JEACVFHOAAABKY-SNVBAGLBSA-N 303.388 -0.672 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 1372227027 MVYVMQUNRHPBRP-LLVKDONJSA-N 303.322 -0.647 30 20 DBED C[C@H](C#N)C(=O)NC[C@@](C)(NC(=O)Cn1cnnn1)C1CC1 1375329123 HXHJQGLYKWQQBR-NOZJJQNGSA-N 305.342 -0.766 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CCN(C(=O)COCc2ccnn2C)C1 1385170207 WYZUPEBUZRFZIX-VXGBXAGGSA-N 319.365 -0.187 30 20 DBED C[C@@H](C#N)C(=O)NCCC1CCN(C(=O)Cn2ncnn2)CC1 1388310850 STVGJWQFUSJKQY-NSHDSACASA-N 319.369 -0.422 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)C2=COCCC2)C1 1390424344 WPMOOOBIUGJVHT-NHYWBVRUSA-N 307.350 -0.080 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CN(CCCS(C)(=O)=O)C[C@@H]2C1 1393410300 BTHAALCYFZPJQB-RWMBFGLXSA-N 313.423 -0.029 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@]1(C)CCN(C(=O)Cn2ncnn2)C1 1394403287 ZBAFRTXJDDGXTC-GXFFZTMASA-N 305.342 -0.812 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)C1CCN(C(=O)[C@@H]2CCOC2)CC1 1396622664 FFLVYEQREFURJX-QWHCGFSZSA-N 323.393 -0.006 30 20 DBED CNC(=O)NCC(=O)N1CCC([C@@H](C)NC(=O)[C@@H](C)C#N)CC1 1398414350 XKJMDEZSEXQSCB-WDEREUQCSA-N 323.397 -0.182 30 20 DBED C[C@@H](C#N)C(=O)NC[C@](C)(NC(=O)CCNC(N)=O)C1CC1 1409501778 AKMJRODNXSNYJH-XPTSAGLGSA-N 309.370 -0.394 30 20 DBED Cn1c(=O)[nH]c(N2CC[C@H](CN3CCCC3=O)C2)c(C#N)c1=O 1413900621 KIQAHGHZQIMOJT-SNVBAGLBSA-N 317.349 -0.606 30 20 DBED C[C@@H]1CCN(C(=O)CCNC(N)=O)[C@H](CNC(=O)[C@H](C)C#N)C1 1414259935 NZHOUPGZEXKYSZ-UTUOFQBUSA-N 323.397 -0.052 30 20 DBED COC(=O)NCC(=O)N[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 1414769251 MWCGJUUPKPXNQW-JTQLQIEISA-N 319.321 -0.427 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H]1CNC(=O)CN1CCCNC1=O 1416409107 YLQAKMCAHPPENI-VXGBXAGGSA-N 321.381 -0.331 30 20 DBED C=C(Cl)CNC[C@H]1CCCN1C(=O)Cn1ncn(C)c1=O 1419419040 FRPQVABMYXRKRI-LLVKDONJSA-N 313.789 -0.085 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](C1CC1)N(C)C(=O)CCNC(N)=O 1424902639 QKCFTZDHFOAORL-MWLCHTKSSA-N 309.370 -0.442 30 20 DBED C[C@H](CCNC(=O)c1cnnn1C)NC(=O)c1c[nH]c(C#N)c1 1429025311 QQZFXGNSCWGOGO-SECBINFHSA-N 315.337 -0.047 30 20 DBED COC1(CC(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2O)CCC1 1445490850 NWGZDGNIJBPCAV-QJPTWQEYSA-N 309.366 -0.207 30 20 DBED COC(=O)NCC(=O)N1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 1446961265 QJYOVMOTNZOZML-JTQLQIEISA-N 319.321 -0.427 30 20 DBED C[C@@H](C#N)C(=O)NC1CN(C(=O)c2cnn3c2OCCC3)C1 1450496866 NNNNTWDPJQGLPR-VIFPVBQESA-N 303.322 -0.234 30 20 DBED COCCN(CCC#N)S(=O)(=O)N(C)CCn1cnnc1 1475637993 LZICYJFCBCWQQI-UHFFFAOYSA-N 316.387 -0.683 30 20 DBED C=C(Cl)CNC[C@H](C)CNC(=O)[C@@H]1CCS(=O)(=O)N1 1482170045 HRDWGXBORJSQEC-WPRPVWTQSA-N 309.819 -0.228 30 20 DBED CCCN(CCNC(=O)[C@@H](C)C#N)[C@@H](C)C(=O)NC(=O)NC 1493279949 KBWMOPNTYGDDNW-QWRGUYRKSA-N 311.386 -0.182 30 20 DBED CNC(=O)NCC(=O)N1[C@H]2CC[C@H]1CN(C(=O)[C@H](C)C#N)CC2 1506230044 LDOLSNJSUWTBBK-WOPDTQHZSA-N 321.381 -0.333 30 20 DBED C=CCN1CC[C@@H](N[C@@H](C)CCNC(=O)c2ncn(C)n2)C1=O 1570458707 MSJFEVWMZCZPJS-NWDGAFQWSA-N 320.397 -0.300 30 20 DBED N#Cc1ncn(CC(=O)N2Cc3cccc(-c4nn[nH]n4)c3C2)n1 1570922262 HATCORJGUAYPDD-UHFFFAOYSA-N 321.304 -0.128 30 20 DBED C#CC[C@]1(C(=O)N[C@@H](C)c2nnc3c(=O)[nH]ccn23)CCCN1 1574517051 KNHUCLBQTVRDPX-ZUZCIYMTSA-N 314.349 -0.260 30 20 DBED C#CCN[C@H]1C[C@H](NC(=O)C2CCN(Cc3cnn[nH]3)CC2)C1 1575005055 SWGPXMKAYAVIMK-HDJSIYSDSA-N 316.409 -0.113 30 20 DBED CC(C)CN(CC(N)=O)c1cnc(C#N)c(-c2nn[nH]n2)n1 1589620127 ZFYXWRQOCHDULC-UHFFFAOYSA-N 301.314 -0.524 30 20 DBED CC(C)N(CCC(=O)O)C(=O)CCn1cc(C#N)c(O)nc1=O 1591581367 MDMYUJMXZFSENM-UHFFFAOYSA-N 322.321 -0.078 30 20 DBED O=C(C#CC1CC1)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 1592767703 IMLLKWMGADQCBM-NSHDSACASA-N 324.348 -0.235 30 20 DBED COC(=O)CCN(CC(=O)O)S(=O)(=O)N(C)C[C@@H](C)C#N 1593841694 IAFWUZWXTGINBL-VIFPVBQESA-N 321.355 -0.728 30 20 DBED CC(C)C[C@H](NC(=O)C(=O)Nc1cnn(CC#N)c1)C(=O)O 1603048437 YPIJXCDDXRXLAT-JTQLQIEISA-N 307.310 -0.039 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CN(c2ccnc(C(=O)O)n2)C[C@H]1O 1608277202 FFSNIFGTKCEFRY-GHMZBOCLSA-N 316.317 -0.746 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)O 1609993090 HEVZIVCDQBSTBJ-ZNSHCXBVSA-N 301.368 -0.025 30 20 DBED N#Cc1ncccc1S(=O)(=O)N1CCC[C@@H](O)[C@@H]1C(=O)O 1610634066 IZAHMOGOGLTDAV-MWLCHTKSSA-N 311.319 -0.448 30 20 DBED N#CCC1(O)CN(C(=O)Nc2ccc(S(N)(=O)=O)cc2)C1 1647284641 USBOMAHUEHCNRH-UHFFFAOYSA-N 310.335 -0.174 30 20 DBED C#CCCN1CC[C@@H](NC(=O)[C@@H](CCC)S(N)(=O)=O)C1 1698552553 ZZLCKRRCWFTOKY-VXGBXAGGSA-N 301.412 -0.343 30 20 DBED C=CCOCCCC(=O)N1CC[C@H](NCc2nnn(C)n2)C1 1713919949 QSYZUZBLZRJAAP-LBPRGKRZSA-N 308.386 -0.117 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(C(=O)C[C@H]2CCOC2)C[C@H]1O 1719093525 FNKDYTCSBAGRMN-MGPQQGTHSA-N 308.378 -0.240 30 20 DBED CC#CCNC[C@H](C)N(C)C(=O)C[C@@]1(C)CCS(=O)(=O)N1 1753723939 QQMDZFVRRZLXBV-GXTWGEPZSA-N 315.439 -0.082 30 20 DBED C#CCNC(=O)CN[C@H](CNC(=O)C1CCOCC1)C(C)C 1753822165 CRXHFIRCQDAZJJ-CQSZACIVSA-N 309.410 -0.107 30 20 DBED C#CCNC[C@H]1CCC[C@@H]1NC(=O)CN(C)S(=O)(=O)CC 1753899598 MLXVBDFRIQVCQM-OLZOCXBDSA-N 315.439 -0.224 30 20 DBED CN(C)c1nc(CNC[C@H](O)CNC(=O)C#CC2CC2)ns1 1753911634 VDQXAWCTFHOUNW-NSHDSACASA-N 323.422 -0.416 30 20 DBED CC(=O)NCCOCCNC1(CNC(=O)C#CC2CC2)CC1 1754514245 WNZBFLGFCIWEEZ-UHFFFAOYSA-N 307.394 -0.209 30 20 DBED C#CCNC(=O)CN1CC(N(C)C(=O)c2cncnc2CC)C1 1754585993 BFWSMNHFWUWXDN-UHFFFAOYSA-N 315.377 -0.455 30 20 DBED C=CCOCC(=O)NC[C@@]1(O)CCN([C@@H](C)c2nncn2C)C1 1754745564 CKIPSSUIFHXRJD-WFASDCNBSA-N 323.397 -0.368 30 20 DBED C=CCn1cc(C(=O)NC[C@@]2(O)CCN(C[C@H](C)OC)C2)nn1 1754758330 DKSCITPVCJKUMB-WFASDCNBSA-N 323.397 -0.334 30 20 DBED CC#CCNCC[C@@H]1CCN(C(=O)[C@H](C)NS(C)(=O)=O)C1 1754932870 IKTKRXXYUNUAHB-QWHCGFSZSA-N 315.439 -0.224 30 20 DBED C[C@H](NS(C)(=O)=O)C(=O)N1CC[C@@H](CCNCC#N)C1 1754933021 LFHUPBHMVCFSLI-WDEREUQCSA-N 302.400 -0.724 30 20 DBED C=CCCN1CC2(C[C@H](NC(=O)C(=O)NCC(F)F)CO2)C1 1755063158 KKCHFWWPRGAZAH-JTQLQIEISA-N 317.336 -0.097 30 20 DBED C#CCO[C@H](C)C(=O)NC1CC(CNCC(=O)N2CCC2)C1 1755210964 BPNRLGHGQATUQJ-IYXRBSQSSA-N 307.394 -0.259 30 20 DBED C=C(C)CNCCC[C@@H](C)NC(=O)Cn1ccc(=O)n(C)c1=O 1755501581 CAKHEZLSWRAGNW-CYBMUJFWSA-N 322.409 -0.002 30 20 DBED C=C(C)CN[C@H](CO)CNC(=O)c1ccc(-n2cncn2)nc1 1755634416 FKIOWVQQZRRHHS-ZDUSSCGKSA-N 316.365 -0.081 30 20 DBED C=CCNC(=O)[C@H](C)NC[C@@H](O)CN(C)C(=O)c1ccnn1C 1755774996 OLNADNIISPGNCX-NWDGAFQWSA-N 323.397 -0.867 30 20 DBED C=CCCNC[C@H](O)CN(C)C(=O)c1ccnc2[nH]nnc12 1755783505 SWACOUUFSLMGMM-JTQLQIEISA-N 304.354 -0.049 30 20 DBED CC(C)C#CC(=O)NCC1=CCN([C@@H](C)C(=O)NC(N)=O)CC1 1755886856 VIVDTMLEJWUVBF-LBPRGKRZSA-N 320.393 -0.023 30 20 DBED C=CCCC(=O)N1C[C@H](NC(=O)Cn2cnnn2)C(C)(C)C1 1756171527 BBJHLIHNAIQMMV-NSHDSACASA-N 306.370 -0.008 30 20 DBED CN1C[C@H](C(=O)N[C@H]2C[C@H](CNC(=O)C#CC3CC3)C2)NC1=O 1756257766 QRTZEEMJUAYWSY-JHJVBQTASA-N 318.377 -0.566 30 20 DBED C#CCO[C@@H](C)C(=O)NCCC[C@@H](C)NC(=O)c1nnn(C)n1 1756334375 LTSSJMCZYQCWET-MNOVXSKESA-N 322.369 -0.737 30 20 DBED CCNC(=S)NCC(=O)N1CC2(CCCN2C(=O)CC#N)C1 1842623559 PFTUCBRTROLMDU-UHFFFAOYSA-N 323.422 -0.413 30 20 DBED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)C(=O)N(C)C)C1 1842835619 UFUUBDPXPXCBCU-GFCCVEGCSA-N 321.377 -0.684 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1CCN(C(=O)C2CC2)CC1 73884249 ZSQFWGUYEVQZNO-NSHDSACASA-N 308.382 -0.059 30 20 DBED C#CCCN1CCN([C@@H](C)C(=O)N2CCN(C(C)=O)CC2)CC1 127252831 LWVJNCIEBQCKED-HNNXBMFYSA-N 320.437 -0.294 30 20 DBED CN1C[C@@H](NC(=O)C(=O)Nc2cccc(OCC#N)c2)CC1=O 267341464 IOGYBDQALIXHIH-NSHDSACASA-N 316.317 -0.126 30 20 DBED N#C[C@H]1CSCCN1C(=O)Cn1nc2ccccn2c1=O 271690080 DXNPUVFJXRFLKO-JTQLQIEISA-N 303.347 -0.036 30 20 DBED C#CCOc1ccccc1NC(=O)C(=O)N1C[C@H](O)[C@@H](O)C1 277588901 SFUWKQOGDCTKCN-RYUDHWBXSA-N 304.302 -0.799 30 20 DBED O=S1(=O)CCCN1C/C(O)=N/[C@H](CO)CN1CCCCC1 329482295 WCIHEVYGJADZRW-LBPRGKRZSA-N 319.427 -0.175 30 20 DBED COCCN1CC[C@H](/N=C(/O)N2C[C@H]3[C@@H](C2)OCCN3C)C1 329737820 TZZDBRXPQWVSIM-MELADBBJSA-N 312.414 -0.364 30 20 DBED COC[C@H](C)/N=C(/O)NC(=O)CN1CCC[C@@H](NC(C)=O)C1 330442948 BFHYEJQMAGJMAM-CMPLNLGQSA-N 314.386 -0.348 30 20 DBED CN(C)/C(O)=N/CCNC(=O)CCC(=O)N1CCOCC1 330630944 PAAWOYDFPIJKBD-UHFFFAOYSA-N 300.359 -0.783 30 20 DBED CN(C)C(=O)CN1CCC(N/C(O)=N/CC(C)(C)O)CC1 330683787 RUDMENHIHUZBDJ-UHFFFAOYSA-N 300.403 -0.187 30 20 DBED CNC(=O)[C@@H]1CCCN(CC(=O)N/C(O)=N/[C@H](C)COC)C1 330694102 IGRYUKBYCOXEOY-GHMZBOCLSA-N 314.386 -0.491 30 20 DBED C[C@](C#N)(NC(=O)CN1CCC[C@@H]1CS(N)(=O)=O)C1CC1 331683214 QKCDHKJLLXGSJO-DGCLKSJQSA-N 314.411 -0.452 30 20 DBED N#C[C@H]1CN(S(=O)(=O)N[C@@H](CO)CC(F)(F)F)CCO1 336932654 CRYXKCOVTKRTEF-SFYZADRCSA-N 317.289 -0.642 30 20 DBED C=CCN(CCC#N)C(=O)C(=O)Nc1ccn(CCOC)n1 340628782 WLRDPYAOUNRCPS-UHFFFAOYSA-N 305.338 0.396 30 20 DBED COCCOCCN(C)S(=O)(=O)N1CCO[C@H](C#N)C1 341969468 PFPAYZNYKSVJMR-LLVKDONJSA-N 307.372 -0.950 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N[C@H]1CCC[C@@H]1C(=O)NC 345578546 DOQTZDIZBBRYEG-RYUDHWBXSA-N 311.382 -0.322 30 20 DBED C[C@@H]1CN(CC(=O)N(CCC#N)CCC#N)C[C@H](C(N)=O)O1 347084374 AESABWYDLVWHHC-VXGBXAGGSA-N 307.354 -0.783 30 20 DBED N#Cc1ccc(NCC(=O)N2CC[C@H](S(N)(=O)=O)C2)cc1 351851103 UHDULAYQXLLEIQ-LBPRGKRZSA-N 308.363 -0.140 30 20 DBED CNC(=O)N[C@@H]1CCN(S(=O)(=O)c2cncc(C#N)c2)C1 352201276 QSSKECYUYXBJPP-SNVBAGLBSA-N 309.351 -0.355 30 20 DBED Cc1onc(CC(=O)NCCCN2CCC[C@@H]2C(N)=O)c1C#N 354485662 GBQWNPPNLNZJDK-CYBMUJFWSA-N 319.365 -0.147 30 20 DBED N#CCNC(=O)CNC(=O)C(=O)Nc1ccc2c(c1)CCC2 357309094 NDILZBGDIDURAO-UHFFFAOYSA-N 300.318 -0.130 30 20 DBED N#C[C@@H]1COCCN1C(=O)CCCC(=O)N1CCOC[C@H]1C#N 362411933 WSVKPGMVZRLDAR-CHWSQXEVSA-N 320.349 -0.341 30 20 DBED C#CCNC(=O)C1CCN(C(=O)[C@@H]2COCCN2CC)CC1 376831112 HIOKFVPDCYZAFJ-AWEZNQCLSA-N 307.394 -0.305 30 20 DBED CC[C@H](NC(=O)N1CCO[C@@H](C#N)C1)C(=O)N1CCOCC1 408419942 QCVIXHDBTZJKNF-RYUDHWBXSA-N 310.354 -0.442 30 20 DBED N#Cc1cccc(NCC(=O)N2CCN(S(N)(=O)=O)CC2)c1 426450978 OELYGRWKAKNTLV-UHFFFAOYSA-N 323.378 -0.682 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(C2CC2)[C@H]2CCNC2)C1=O 435245874 OJIMODAERCFREE-NSHDSACASA-N 320.349 -0.684 30 20 DBED N#C[C@@H]1CN(CC(=O)Nc2cccc(S(N)(=O)=O)c2)CCO1 436127709 FNTZGUVLJVNLQF-LLVKDONJSA-N 324.362 -0.503 30 20 DBED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)C(=O)O)c1 490802913 IGMBWTDTMKURJZ-VIFPVBQESA-N 310.331 -0.199 30 20 DBED COCc1ccc(NC(=O)NC(CO)(CO)CO)cc1C#N 529207041 RDNLGIOBVKYSSE-UHFFFAOYSA-N 309.322 -0.458 30 20 DBED N#Cc1cccc(CS(=O)(=O)NC[C@@H](O)Cn2ccnn2)c1 566493641 UMCFHBQJQPRALV-CYBMUJFWSA-N 321.362 -0.370 30 20 DBED COCCN1CN(c2ccc(C(=O)OC)nc2C#N)CC1=O 566985796 YIHBUHKJIDOXLE-UHFFFAOYSA-N 304.306 -0.008 30 20 DBED COCCN(CCC#N)S(=O)(=O)N(C)CCNC(C)=O 578622214 DKEFLFMTQAJNMQ-UHFFFAOYSA-N 306.388 -0.839 30 20 DBED N#CC1CN(S(=O)(=O)c2cccc(S(N)(=O)=O)c2)C1 590089682 SLUSZYXJJCIJOG-UHFFFAOYSA-N 301.349 -0.522 30 20 DBED CN(C)S(=O)(=O)NCCNC(=O)N1CCC(CC#N)CC1 596613932 INYXHMVDZIQSHK-UHFFFAOYSA-N 317.415 -0.282 30 20 DBED C#CCC[C@@H](O)CNC(=O)CS[C@@H]1CCS(=O)(=O)C1 717918833 FDUCSALCIKGTQS-GHMZBOCLSA-N 305.421 -0.203 30 20 DBED N#CCNC(=O)COC(=O)CCc1ccc(-c2nn[nH]n2)cc1 737696628 SFVMGIUDTJNICW-UHFFFAOYSA-N 314.305 -0.018 30 20 DBED C#C[C@H](NC(=O)c1ccc(S(N)(=O)=O)nc1)[C@H]1CCCO1 775338265 FZQVDWMDHLSALA-WDEREUQCSA-N 309.347 -0.360 30 20 DBED CC(=O)N1CC[C@](C)(C(=O)NS(=O)(=O)CCCC#N)C1 776122630 SILVSDJTIHLXHH-LBPRGKRZSA-N 301.368 -0.005 30 20 DBED Cn1c(=O)n(C)c2cc(OC(=O)Cn3cnc(C#N)n3)ccc21 794165422 VRFYJAQJLAULBY-UHFFFAOYSA-N 312.289 -0.054 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)c1nnn(-c2ccn(C)n2)c1C 814579040 RQWWYDUHNVMXAH-JTQLQIEISA-N 316.321 -0.396 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)c2cncc(C)c2)CC1 831565556 VSGVBZJZSSWDKT-UHFFFAOYSA-N 322.390 -0.385 30 20 DBED N#Cc1ccc([C@H](O)CN2CCNC(=O)[C@H]2CC(=O)O)cc1 833072914 SNHYXPBBOBLPRA-CHWSQXEVSA-N 303.318 -0.133 30 20 DBED C#C[C@H](NC(=O)N1CCC[C@H](C(=O)NCCN)C1)[C@H]1CCCO1 841881759 UOEUYFYBUDMHFD-MELADBBJSA-N 322.409 -0.336 30 20 DBED C#CCCCC(=O)N1CCOC[C@H]1C(=O)NCC(=O)OCC 854382957 QEEDDCYRGKSJQA-LBPRGKRZSA-N 310.350 -0.303 30 20 DBED C#CC[C@@H](CCOC)NC(=O)NC1CCN(CC(=O)NC)CC1 858136250 JXPQSIJDBXVXBQ-ZDUSSCGKSA-N 324.425 -0.076 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@H](OCC)C2CC2)CC1 859179340 LSEOUXSSXMPLCB-OAHLLOKOSA-N 307.394 -0.305 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N1CCc2c[nH]nc2C1 875596984 XQDKYMQLJGLGSP-GFCCVEGCSA-N 304.350 -0.161 30 20 DBED C#CC[C@H](CO)NC(=O)N[C@@H]1CCOC[C@@H]1OCCOC 922070881 OHHATQXBAIHKEK-UPJWGTAASA-N 300.355 -0.510 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](NC(=O)CC2CS(=O)(=O)C2)C1 941333901 LUWNVSASFQSIDM-MWLCHTKSSA-N 313.379 -0.702 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CN2C(=O)CNC2=O)C[C@H]1C 948013237 UNCOADQJIPIKBZ-VXGBXAGGSA-N 306.366 -0.469 30 20 DBED C[C@@H](C#N)C(=O)N1CC(N(C)C(=O)c2cccnc2C(N)=O)C1 954430285 WJDAKYDRFCZNHP-VIFPVBQESA-N 315.333 -0.377 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@]2(CCCCN(C(=O)C(N)=O)C2)C1 956561482 USUHNJFRCXKUDN-ABAIWWIYSA-N 306.366 -0.137 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@](C)(NC(=O)c2cn(C)c(=O)n2C)C1 957139407 VOMMMCGXAKGPMB-ZUZCIYMTSA-N 319.365 -0.396 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](CNC(=O)c2cc(=O)n(C)o2)C1 958020473 PPYYMUVWRIQBIJ-NXEZZACHSA-N 315.757 -0.247 30 20 DBED C=CCCN1C[C@@H](O)[C@H](CNC(=O)c2ccc3nnnn3c2)C1 958255379 XMIJWERKJHDCSL-CHWSQXEVSA-N 316.365 -0.277 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H]2CCCCN2C(=O)C(N)=O)c1 964574943 PSGQEFLOEQFLOY-SNVBAGLBSA-N 303.322 -0.517 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2CN(CC(N)=O)CC[C@@H]2C)c1 968318737 ZNQPPFAHSHUHAY-SMDDNHRTSA-N 300.362 -0.012 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2CN(CC(N)=O)CC[C@H]2C)cn1 968562726 VWPHZJCYOPXLDW-RISCZKNCSA-N 300.362 -0.012 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnnn1C 968940218 RBWHBHPCEIJDFQ-MXWKQRLJSA-N 302.338 -0.210 30 20 DBED CN(Cc1nnnn1C)[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 971371040 BWGOWFIEHIHPIC-GFCCVEGCSA-N 314.353 -0.244 30 20 DBED CC#CCN1C[C@H]2CC[C@H]1CN2C(=O)c1cn(C)c(=O)nc1O 972106479 MWGVSJBOUHKEHR-NWDGAFQWSA-N 316.361 -0.202 30 20 DBED C#CCN1CCC(C(=O)N2C[C@H]3CC[C@H]2CN3CC(N)=O)CC1 972145694 QZPIIDSPFFFZQS-CABCVRRESA-N 318.421 -0.508 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)CCc3nc[nH]n3)C2)C1 972325674 YXQYEYMJQCQPQS-HNNXBMFYSA-N 303.366 -0.326 30 20 DBED C=CCN(C)[C@H]1CCN(C(=O)[C@@H]2CCN(C)S2(=O)=O)C1 972527128 OYOMAXOPXYSKEF-RYUDHWBXSA-N 301.412 -0.261 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)[C@@H]3CCC(=O)N(C)C3)C2)C1 972687853 KRUHZFGFAVSYQE-RHSMWYFYSA-N 319.405 -0.209 30 20 DBED N#CCN1C[C@@H]2C(CNC(=O)c3cnc4n3CCOC4)[C@H]2C1 978302131 JDDRZKNUAXSQMC-VXGBXAGGSA-N 301.350 -0.156 30 20 DBED N#CCN1C[C@@H]2CC[C@H](NC(=O)CN3CCOCC3=O)C[C@H]2C1 979796636 NUKBOTYNLGVXAH-IHRRRGAJSA-N 320.393 -0.415 30 20 DBED C[C@@]12CN(CC#N)C[C@]1(C)CN(C(=O)Cn1cnnc1O)C2 982263183 NPDHIKUGHPMUQQ-OKILXGFUSA-N 304.354 -0.322 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)CC(N)=O)C1 982567039 JIKRDSMUERLADX-UPJWGTAASA-N 323.393 -0.192 30 20 DBED C[C@H]1C[C@@H](NCC#N)CN1C(=O)c1ccc(-n2cnnn2)cn1 989225340 MVNROUGQFHXNNS-WDEREUQCSA-N 312.337 -0.227 30 20 DBED N#Cc1ccc(C(=O)N2CC(NC(=O)[C@H]3COCCO3)C2)[nH]1 990274945 FXFNWNPVIDYLJU-GFCCVEGCSA-N 304.306 -0.758 30 20 DBED C#Cc1ccc(C(=O)N2CC(NC(=O)Cc3cnn(C)c3)C2)nc1 990434847 ZAZXDGROOORRJJ-UHFFFAOYSA-N 323.356 -0.020 30 20 DBED C#Cc1cncc(C(=O)N2CC(NC(=O)[C@H]3CCN(C)C3)C2)c1 991732354 UYNXNDKXFTTXAZ-ZDUSSCGKSA-N 312.373 -0.045 30 20 DBED C[C@H](C#N)C(=O)N1CC(NC(=O)C2(N3CCOCC3)CCC2)C1 998893092 OPTIQHAIBRULID-GFCCVEGCSA-N 320.393 -0.272 30 20 DBED NC(=O)N1CCCC[C@@H]1C(=O)NC1CN(C(=O)C#CC2CC2)C1 1000219263 QRRHAUASCGJRAH-CYBMUJFWSA-N 318.377 -0.340 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(CNC(=O)c2ncn(C)n2)C1 1001728580 RDRNXPGXNDCAAR-NEPJUHHUSA-N 319.365 -0.406 30 20 DBED C[C@H](C#N)C(=O)N1CC(CNC(=O)c2cn(C)c(=O)n2C)C1 1002642077 JGOSFJJVWIBREW-SECBINFHSA-N 305.338 -0.928 30 20 DBED Cn1nncc1C(=O)NCC1[C@H]2CN(C(=O)C#CC3CC3)C[C@H]12 1009001618 LNVUUZKEAFGEBA-CHWSQXEVSA-N 313.361 -0.337 30 20 DBED CN1CC[C@H](N2CC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)C1=O 1010649067 CFMMITXELSDEMY-YPMHNXCESA-N 301.350 -0.079 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C(=O)[C@@H]2CCS(=O)(=O)C2)CC1 1011495030 AZIQZONJCDDORY-WDEREUQCSA-N 313.379 -0.748 30 20 DBED C[C@@H]1[C@H](NC(=O)c2nnn(C)n2)CCN1C(=O)C#CC1CC1 1011736049 JRPQQHWJLQTDGQ-MWLCHTKSSA-N 302.338 -0.657 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C(=O)COC2CCN(C)CC2)CC1 1012245885 HTCUSZNKKOWZHU-ZDUSSCGKSA-N 322.409 -0.072 30 20 DBED N#Cc1cc(C(=O)NC2[C@@H]3CN(C(=O)Cn4cccn4)C[C@@H]23)c[nH]1 1012978381 KDYYKVOTTCMPEA-CHWSQXEVSA-N 324.344 -0.030 30 20 DBED COCC(=O)N1CCCO[C@@H](CNC(=O)c2c[nH]c(C#N)c2)C1 1019570506 LSNABOREPWRYGE-ZDUSSCGKSA-N 320.349 -0.120 30 20 DBED C[C@H](C#N)C(=O)N1CCCO[C@H](CNC(=O)c2nc[nH]n2)C1 1019644865 MRRARBWIKCVGHP-NXEZZACHSA-N 306.326 -0.688 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2O)c1 1023327557 PRAYUFPITPLFCG-ZIAGYGMSSA-N 312.329 -0.399 30 20 DBED C#CCN[C@@H]1CC[C@@H]2CN(C(=O)c3ccc(=O)n(C)n3)C[C@@H]21 1026415094 ZAJSEGCKCQLZPJ-FRRDWIJNSA-N 300.362 -0.146 30 20 DBED C=CCN1CC[C@@H](N2CC(CNC(=O)c3cnn(C)c3)C2)C1=O 1031539286 CTKIHIUBEMGYGM-CQSZACIVSA-N 317.393 -0.131 30 20 DBED C=CCN1C[C@@H]2C[C@H]1CN2C(=O)CN1CCS(=O)(=O)CC1 1032780279 CGQNOUJSRPJUBU-STQMWFEESA-N 313.423 -0.812 30 20 DBED C=C(Cl)CN1CC[C@@H](N(C)C(=O)[C@@H]2CCS(=O)(=O)N2)C1 1033671963 RQRMGWMRPWLXJB-MNOVXSKESA-N 321.830 -0.037 30 20 DBED N#CCN1CCO[C@@H](CNC(=O)[C@H]2CCc3nncn3C2)C1 1035610493 XJOZIOOUCYLZPT-RYUDHWBXSA-N 304.354 -0.819 30 20 DBED N#CCN1CCO[C@@H](CNC(=O)[C@@H]2CCc3c[nH]nc3C2)C1 1035612416 YVYVGROHUNRTSD-YPMHNXCESA-N 303.366 -0.145 30 20 DBED Cc1nnc2n1C[C@H](C(=O)NC[C@@H]1CN(CC#N)CCO1)CC2 1035614730 QSDPDOAWGZDMPE-CHWSQXEVSA-N 318.381 -0.511 30 20 DBED Cn1cc(C(=O)N2[C@H]3CC[C@H]2CN(CC#N)CC3)c(O)nc1=O 1039468867 LXSKLZVLHGPNQX-QWRGUYRKSA-N 317.349 -0.312 30 20 DBED C#CCCCC(=O)NC[C@]1(O)CCN(C(=O)[C@@H](C)OCC#C)C1 1039575897 HYRLILTVVYVNGE-RHSMWYFYSA-N 320.389 -0.092 30 20 DBED COC[C@@H](OC)C(=O)N1CC[C@](O)(CNC(=O)C#CC2CC2)C1 1039680406 FNZDGXUBIMWHJQ-CJNGLKHVSA-N 324.377 -0.859 30 20 DBED O=C(C#CC1CC1)NC[C@]1(O)CCN(C(=O)c2cccnn2)C1 1039680644 KEEFGPWQUJMANT-MRXNPFEDSA-N 314.345 -0.417 30 20 DBED N#Cc1cccnc1N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCOC2)C1 1040938061 CBUWXKVBUHSJJY-YNEHKIRRSA-N 302.334 -0.345 30 20 DBED C=C(C)CCC(=O)N1CC(O)(CNC(=O)[C@@H](C)NC(C)=O)C1 1041337635 FHDDFJVHZYFGBP-LLVKDONJSA-N 311.382 -0.443 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)C2[C@H]3CCC[C@H]23)C1 1042039570 CCCILIUUPABCFO-RYUDHWBXSA-N 308.378 -0.075 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)[C@@H]2CO[C@H](C)C2)C1 1042053047 ZCGQJIXPAKAPDP-NEPJUHHUSA-N 312.366 -0.697 30 20 DBED CC#CCN1CC[C@@H]2CCN(C(=O)C3CC(=O)NC(=O)C3)C[C@@H]21 1042267367 XCCDKQARNPSYKI-OCCSQVGLSA-N 317.389 -0.015 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)c2ccco2)C1 1043033462 ZVPKYERQVGMTCM-UHFFFAOYSA-N 306.318 -0.377 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)C2(C)CCC2)C1 1043040831 XUQCRWZMBUCBNR-UHFFFAOYSA-N 308.378 -0.094 30 20 DBED CN1CC[C@@H](C(=O)N[C@@H]2CN(c3ccc(C#N)cn3)C[C@@H]2O)C1 1043966643 URRJMZXTPPAMCV-MCIONIFRSA-N 315.377 -0.429 30 20 DBED C=C(C)CN1CC(N(C)C(=O)[C@@H]2CCN(C)S2(=O)=O)C1 1044035189 ABSFPMWMHDOFSX-LBPRGKRZSA-N 301.412 -0.261 30 20 DBED N#Cc1nccnc1N1C[C@H](O)[C@H](NC(=O)c2ncccn2)C1 1044129570 FUNBEUHNZVVZTF-MNOVXSKESA-N 311.305 -0.882 30 20 DBED COc1cccnc1C(=O)N1CC(O)(CNC(=O)[C@@H](C)C#N)C1 1045545983 GDPOAAVGDUIBCF-JTQLQIEISA-N 318.333 -0.447 30 20 DBED CO[C@@H](CC(C)C)C(=O)N1CC(O)(CNC(=O)[C@@H](C)C#N)C1 1045550959 CJTWSOPPQUAUTH-RYUDHWBXSA-N 311.382 -0.103 30 20 DBED CO[C@H](C(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1)C(C)C 1045735099 MABRKZXNWSVZKW-AWEZNQCLSA-N 308.378 -0.240 30 20 DBED C#CCN1CC[C@@H](N2CCN(C(=O)c3[nH]c(O)nc3C)CC2)C1 1046036876 IEUGEGOSHHWYNB-CYBMUJFWSA-N 317.393 -0.111 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@@H]2CCOC2)C1 1046814636 MNMIUUIYBASGHV-UPJWGTAASA-N 324.377 -0.697 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@@H](N(C)C(=O)CN2CCOCC2)C1 1047350807 MZVDEKXYZBDOLO-STQMWFEESA-N 317.817 -0.425 30 20 DBED C=CCN1CCOC[C@H]1CNC(=O)c1ccoc1CC(N)=O 1051084414 QZJGTVFOZMYITQ-LLVKDONJSA-N 307.350 -0.076 30 20 DBED C#CCCN1CCOC[C@H]1CNC(=O)c1ccc(OC)nn1 1051194616 JNESTNYDTBYGRM-GFCCVEGCSA-N 304.350 -0.061 30 20 DBED C=CCN1CCOC[C@H]1CNC(=O)[C@@H]1COCCN1C(C)=O 1051251097 MOYBJWGIXSRORA-KGLIPLIRSA-N 311.382 -0.763 30 20 DBED C#CCN1CCN([C@H]2CCN(C(=O)Cc3nnc(C)o3)C2)CC1 1052021952 HQDAAWXNYVBKGX-AWEZNQCLSA-N 317.393 -0.228 30 20 DBED Cn1ncc(CN2CC3(C2)CN(C(=O)C#CC2CC2)CCO3)n1 1053251018 VYOHZSPWAUBVJF-UHFFFAOYSA-N 315.377 -0.358 30 20 DBED C=CCOCCCC(=O)NC[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C 1053315728 BOJKSXOFIRFCSE-VXGBXAGGSA-N 311.382 -0.335 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)[C@]1(C)CNC(=O)C1)CCO2 1053356347 KUPLCIWNAZTCMG-HNNXBMFYSA-N 305.378 -0.551 30 20 DBED C#CCN1CC2(CC[C@H](CNC(=O)c3cnc(O)n3C)O2)C1 1053642788 KWHNRRYYLQHMMB-LLVKDONJSA-N 304.350 -0.278 30 20 DBED C#CCN1CC2(CC[C@@H](CNC(=O)[C@H]3CCN(C(C)=O)C3)O2)C1 1053689932 FWAWCSNCIHBIEJ-GJZGRUSLSA-N 319.405 -0.162 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)[C@@H]3CN(C)CCO3)CO2)C1 1053766415 MWWAWEPQRKTKMR-KBPBESRZSA-N 307.394 -0.700 30 20 DBED N#Cc1cccc(CN2CC3(C[C@@H](NC(=O)C(N)=O)CO3)C2)c1 1053912095 USXSITOOHSFPEM-CYBMUJFWSA-N 314.345 -0.497 30 20 DBED C=C(C)CN1CC2(C[C@H](NC(=O)c3cn(C)c(=O)n3C)CO2)C1 1054018595 GJSPLGKCGJGNCM-LBPRGKRZSA-N 320.393 -0.127 30 20 DBED C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1NCc1nnnn1C 1054547143 KGTXIJRXGFXYRX-BXKDBHETSA-N 314.353 -0.340 30 20 DBED C=CC(C)(C)CC(=O)N1CCC[C@](CO)(NC(=O)C(N)=O)C1 1056088057 QCQAJXLKLCLDDJ-HNNXBMFYSA-N 311.382 -0.456 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CCCN(C(=O)CNC(N)=O)[C@@H]2C1 1056594699 BZYUGHSFTITBRD-GARJFASQSA-N 307.354 -0.736 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)C1CCOCC1 1056769212 IEBBXUQCRKPUMT-UHFFFAOYSA-N 314.382 -0.447 30 20 DBED C=CCC(C)(C)C(=O)NCCN(CCO)C(=O)CNC(C)=O 1056816248 UAXUGSLKHCVXLB-UHFFFAOYSA-N 313.398 -0.338 30 20 DBED CCO[C@@H]1C[C@@H]1C(=O)N(CCO)CCNC(=O)C#CC1CC1 1057089003 LLPCJWGMSYBJER-UONOGXRCSA-N 308.378 -0.238 30 20 DBED C#CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)C[C@H](C)OC 1057165750 FIFTVNOJAXFYRX-STQMWFEESA-N 314.382 -0.613 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)[C@]1(C)CNC(=O)C1 1057174304 YRHFYAQBLWLBKD-HNNXBMFYSA-N 311.382 -0.584 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)Cc1ccnn1C 1057516993 GWSQDQPSHDCKDA-UHFFFAOYSA-N 320.393 -0.441 30 20 DBED C=C(C)[C@H](CC(=O)N(CCO)CCNC(=O)COC)OCC 1057813183 CJLOQYFQOLVVHU-ZDUSSCGKSA-N 316.398 -0.059 30 20 DBED CN1CCOC[C@@H]1C(=O)N1CC[C@H](N=c2cc[nH]cc2C#N)C1 1058854837 LVNKDPZYHKACDN-DZGCQCFKSA-N 315.377 -0.281 30 20 DBED CNC(=O)NCC(=O)NCC[C@@H]1CCN(C(=O)[C@@H](C)C#N)C1 1060294114 DIHXGZVUSLFARO-WDEREUQCSA-N 309.370 -0.570 30 20 DBED C#CCCCCC(=O)NC[C@H]1COCCN1C(=O)CNC(N)=O 1061515518 OLHVLHQOSSIOOB-LBPRGKRZSA-N 324.381 -0.808 30 20 DBED C#CCCCC(=O)NC[C@H]1COCCN1C(=O)[C@H]1COCCO1 1061536811 VBALLJZXADULQF-UONOGXRCSA-N 324.377 -0.451 30 20 DBED CC(C)C#CC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1COC(=O)N1 1061565871 ANRCGDGULUGTGN-RYUDHWBXSA-N 323.349 -0.902 30 20 DBED Cn1cnc(C(=O)N2CCOC[C@H]2CNC(=O)C#CC2CC2)n1 1061569221 AJTVAMGXAYPHKH-GFCCVEGCSA-N 317.349 -0.814 30 20 DBED C=CCO[C@H](C)C(=O)NC[C@H]1COCCN1C(=O)c1ncc[nH]1 1061668876 WORILBODLPHRSR-NEPJUHHUSA-N 322.365 -0.042 30 20 DBED C=CCCC(=O)N1CCOC[C@H]1CNC(=O)c1nnn(C)n1 1061778624 SNNHOBYWDJPRMI-SNVBAGLBSA-N 308.342 -0.867 30 20 DBED Cc1cnn(C)c1C(=O)N1CCOC[C@H]1CNC(=O)[C@@H](C)C#N 1061850431 GLAZNTAMHHMKFY-CMPLNLGQSA-N 319.365 -0.155 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)C[C@H]2CCC(=O)N2)CCC1 1063606452 JIXNBGLVTBVWPK-WDEREUQCSA-N 306.366 -0.030 30 20 DBED Cc1nc(CC(=O)NC2(CNC(=O)[C@@H](C)C#N)CCC2)n[nH]1 1064306989 VKZHWNSCLGEZQE-VIFPVBQESA-N 304.354 -0.030 30 20 DBED COCCC(=O)NC[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)CCO1 1065063986 QTJFGCJMILEJAM-CYBMUJFWSA-N 320.349 -0.120 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)CCN(C)C)CCO1 1065571917 FEVZWHJYNQYSTJ-CQSZACIVSA-N 309.410 -0.059 30 20 DBED Cc1nc(NC[C@@H]2CN(C(=O)CC(N)=O)CCO2)ccc1C#N 1066607655 UFLZJBBCVCBKSW-GFCCVEGCSA-N 317.349 -0.224 30 20 DBED C=CCCCC(=O)N1CCOC2(C1)CN(C(=O)CC(=O)NC)C2 1068448227 GWELBIPQFCKLSO-UHFFFAOYSA-N 323.393 -0.081 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1COC2(C1)CN(C(=O)CC(C)(C)O)C2 1069004304 VHKCMSGFBJNDSN-MNOVXSKESA-N 309.366 -0.207 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)c4cnc(O)n4C)C[C@@]3(C1)O2 1070834945 FKDUFYOBGRWKSH-XHBSWPGZSA-N 316.361 -0.326 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)Cc2cc[nH]n2)CC1 1070950216 PKNRJUVJXWGGIW-UHFFFAOYSA-N 305.382 -0.211 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CCC(=O)N2)C1 1071044648 DKIDQQAKEGKFRW-WQGACYEGSA-N 323.393 -0.301 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CCCN(C(=O)[C@H]2CCC(=O)N2C)C1 1071145295 IAKKHMFENWGCMW-IJLUTSLNSA-N 306.366 -0.126 30 20 DBED C=CCOCC(=O)N1C[C@H](C)[C@H](NC(=O)c2cn(C)nn2)C1 1071808606 JJMDQEUNHBHAIV-WDEREUQCSA-N 307.354 -0.406 30 20 DBED C=CCOCC(=O)N[C@H]1CN(C(=O)c2cnnc(O)c2)C[C@@H]1C 1072305538 YSBPQAPEFOGTFG-JQWIXIFHSA-N 320.349 -0.039 30 20 DBED C#CCCN1CCCO[C@@H](CNC(=O)C2CS(=O)(=O)C2)C1 1073620488 GMLPXINONYRHEM-ZDUSSCGKSA-N 314.407 -0.739 30 20 DBED N#CCN1CCCO[C@@H](CNC(=O)[C@H]2CCc3nncn3C2)C1 1073901747 DEFJGBHWCHDPPS-STQMWFEESA-N 318.381 -0.429 30 20 DBED C#CCCCC(=O)N[C@H]1CCN(C(=O)Cn2cnnn2)C[C@H]1C 1073918558 KALVYKYGYYLYSJ-OLZOCXBDSA-N 318.381 -0.170 30 20 DBED C=CCN1CCO[C@@H]2CCN(C(=O)C3CN(C(C)=O)C3)C[C@H]21 1074226241 MIWITHAXTVJRAE-HUUCEWRRSA-N 307.394 -0.048 30 20 DBED C#CCCN1CCO[C@H]2CCN(C(=O)C3CN(C(C)=O)C3)C[C@H]21 1074226259 MULUCUJCTBOGIR-CVEARBPZSA-N 319.405 -0.210 30 20 DBED Cc1n[nH]cc1C(=O)N1CCC(O)(CNC(=O)[C@H](C)C#N)CC1 1074657235 DJERRVXFHKYORU-SNVBAGLBSA-N 319.365 -0.039 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CCN(C(=O)c2nc[nH]n2)CC1 1074670009 MDZZPCHBJYEVMQ-VIFPVBQESA-N 306.326 -0.952 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)C[C@H]1CCOC1 1076217919 OJVSNCHSWJTEGT-QWHCGFSZSA-N 323.393 -0.437 30 20 DBED CCC[C@@H](NC(N)=O)C(=O)NCC[C@H](C)NC(=O)[C@H](C)C#N 1077673749 PVSZMUIIHHUUKV-OUAUKWLOSA-N 311.386 -0.006 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C2CC2)N2CCOCC2)C1 1078213791 CUTLCLMONRFWTN-RBSFLKMASA-N 309.410 -0.556 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@@H]1CCCN(C(=O)Cn2cnnn2)CC1 1079058865 JQCJIVPOGDHDSD-NWDGAFQWSA-N 319.369 -0.328 30 20 DBED C[C@@H]1CN(Cc2nnn(C)n2)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 1079588739 MFWUXHLLZCKXBW-BXKDBHETSA-N 314.353 -0.340 30 20 DBED C=CCCOCC(=O)N(CC)C1CN(C(=O)[C@H]2CNC(=O)N2)C1 1079978317 JMYQCWRQYMOJDM-GFCCVEGCSA-N 324.381 -0.680 30 20 DBED C=CCOCC(=O)N1CC(N(CC)C(=O)Cc2nc[nH]n2)C1 1080591151 AJZVNCLKHKEPSW-UHFFFAOYSA-N 307.354 -0.391 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1cn(C[C@@H]2CCOC2)nn1 1080688044 QRWVRWQLADVHPK-FRRDWIJNSA-N 318.381 -0.112 30 20 DBED C=CCCOCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2ccon2)C1 1081303649 YVFQBUWWBFNOPT-YPMHNXCESA-N 323.349 -0.184 30 20 DBED Cc1n[nH]cc1C(=O)N1C[C@H](CNC(=O)C#CC(C)C)[C@@H](O)C1 1081463845 SNPXTSDBSYPYAF-JSGCOSHPSA-N 318.377 -0.073 30 20 DBED CN(C)CCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C#CC2CC2)C1 1081471629 PZPOVMFKWDKKFF-UONOGXRCSA-N 307.394 -0.713 30 20 DBED Cc1cc(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C#CC3CC3)C2)n[nH]1 1081472398 XVMYAIYEVAWMKL-GXTWGEPZSA-N 316.361 -0.319 30 20 DBED CCCN(C)CC(=O)NC[C@H]1CN(C(=O)C#CC(C)C)C[C@H]1O 1081634174 CVQGJUWWSDDUFX-LSDHHAIUSA-N 323.437 -0.077 30 20 DBED C=CCCCC(=O)NC[C@H]1CN(C(=O)c2cnn(C)n2)C[C@@H]1O 1081702229 CMRMAZFVZPJPCS-AAEUAGOBSA-N 321.381 -0.280 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CCCCN1C(=O)c1nnn(C)n1 1082225749 ZZRAFGJHNNXXLV-UWVGGRQHSA-N 305.342 -0.519 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1nccn2ccnc12 1083196866 LWNOVPJCYBYRNZ-QWHCGFSZSA-N 311.345 -0.112 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)c2cnc(C3CC3)nc2O)C1 1083839949 YIRIEADABHVNBQ-OLZOCXBDSA-N 316.361 -0.142 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2cccc(-n3cncn3)n2)C1 1083900560 UZHWCQXGYGXKKN-OLZOCXBDSA-N 312.333 -0.930 30 20 DBED C=CCN[C@@H]1CC[C@H](CNC(=O)[C@@H]2CCS(=O)(=O)N2)C1 1086878557 TWVSDEMYLQDNTR-TUAOUCFPSA-N 301.412 -0.261 30 20 DBED C=CCN[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)C[C@H]1c1cnn(C)c1 1086994586 JKHCYXVXAXXPCB-YNEHKIRRSA-N 318.381 -0.829 30 20 DBED C=CCN1CC[C@@H]2CN(C(=O)Cn3ccc(O)nc3=O)C[C@@H]2C1 1088031000 UKCNJWZSGKLKJJ-OLZOCXBDSA-N 318.377 -0.085 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CN2CCCCC2=O)[C@H](O)C1 1090383768 CKUHDDPVLSXMIP-ZIAGYGMSSA-N 307.394 -0.426 30 20 DBED COCc1cc(N2C[C@@H](O)[C@H](NC(=O)[C@H](C)C#N)C2)ncn1 1090403811 BISUGFXMQWHMCJ-YUSALJHKSA-N 305.338 -0.552 30 20 DBED CC[C@@H](C(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@H]1O)N(C)C 1090455570 ZNNMBKKJYFFCFT-VNHYZAJKSA-N 317.393 -0.041 30 20 DBED C=CCN1CC[C@@H](NC(=O)c2c(C)c[nH]c2CC(N)=O)[C@H](O)C1 1090582575 DPYUKJBHRSIMDQ-DGCLKSJQSA-N 320.393 -0.298 30 20 DBED C=CCN1CC[C@@H](NC(=O)Cn2c(C)cc(C)nc2=O)[C@@H](O)C1 1090674093 ORWXLVTYNQSGOV-KGLIPLIRSA-N 320.393 -0.402 30 20 DBED C[C@@H]1[C@@H](NC(=O)CC(=O)N(C)C)CCN1c1cncc(C#N)n1 1092058677 AFOKPMOQYIKVIO-PWSUYJOCSA-N 316.365 -0.090 30 20 DBED C#CCN1CC(n2cc(CNC(=O)c3ocnc3C)nn2)C1 1094283738 GDOVHVRROWSQEM-UHFFFAOYSA-N 300.322 -0.006 30 20 DBED CN1CC[C@H](C(=O)NCc2cn(C3CN(CC#N)C3)nn2)C1 1094338553 KFRHVHYEJJCYMH-NSHDSACASA-N 303.370 -0.774 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)c3ccnc(F)c3)CC2=O)C1 1094714436 WOWPONBPMPWNBJ-LBPRGKRZSA-N 316.336 -0.131 30 20 DBED CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCCN(c2cnc(C#N)cn2)C1 1096134402 IROOJMZZXHRFLB-CMPLNLGQSA-N 316.365 -0.042 30 20 DBED COC(=O)NCC(=O)N[C@@H]1CCN(c2ccnc(C#N)n2)C1 1096316172 ATTPQDTVYSJRIO-SECBINFHSA-N 304.310 -0.601 30 20 DBED CN(C)C(=O)CC(=O)NC[C@@H](N=c1cc[nH]c(C#N)n1)C1CC1 1096827268 GFHRIYOGPSWSRQ-LLVKDONJSA-N 316.365 -0.445 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1C[C@@H](Nc2cnc(F)cn2)C1 1097176792 WEWZXERKUVFGLI-AOOOYVTPSA-N 305.313 -0.186 30 20 DBED C#CCN(CCO)C1CCN(C(=O)[C@]2(CC)CCNC2=O)CC1 1098398150 LBDKGINFQLFMBA-QGZVFWFLSA-N 321.421 -0.179 30 20 DBED C#CCCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H]1CCS(=O)(=O)N1 1098429547 XVKOVDNGVBVRPX-LPWJVIDDSA-N 311.407 -0.577 30 20 DBED CNC(=O)C1(C(=O)N2CCC(N(CC#N)CCO)CC2)CC1 1098499669 AUWHDUBHUXVGBP-UHFFFAOYSA-N 308.382 -0.679 30 20 DBED C[C@H](CCNC(=O)CCNC(N)=O)Nc1ccc(C#N)nn1 1099142404 XSLQSXDBJYHCIH-SECBINFHSA-N 305.342 -0.287 30 20 DBED CN1C[C@H](C(=O)N2C[C@@H](NCC#N)[C@H](C(F)(F)F)C2)NC1=O 1099288700 UYTBNFUKGZDFMC-IWSPIJDZSA-N 319.287 -0.488 30 20 DBED C#CCOCCC(=O)N1C[C@H]2CC[C@H]1[C@H]1CN(CC(N)=O)C[C@@H]21 1099480226 CEQHOACPGHFDGI-QPSCCSFWSA-N 319.405 -0.320 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)CCC2CCC2)[C@H](O)C1 1099776474 SNRADBRVPBTICM-HUUCEWRRSA-N 321.421 -0.133 30 20 DBED C#CCN1CC[C@@H](NC(=O)COCc2nnc(C)s2)[C@H](O)C1 1099905830 FICUVKKQUCNWBI-VXGBXAGGSA-N 324.406 -0.452 30 20 DBED C=CCN1CC[C@H](NC(=O)CN(C)S(=O)(=O)CC)[C@H](O)C1 1100057041 CBBQEYADFQNTTD-NWDGAFQWSA-N 319.427 -0.995 30 20 DBED C=CCCN1CC[C@@H](NC(=O)C2(C(=O)N(C)C)CC2)[C@@H](O)C1 1100071913 LVDKGUNOUWIRKD-OLZOCXBDSA-N 309.410 -0.018 30 20 DBED CNC(=O)NC(=O)CNC1CC(CNC(=O)C#CC2CC2)C1 1100314974 NCTRZNXZXHYZTP-UHFFFAOYSA-N 306.366 -0.660 30 20 DBED N#Cc1nccc(N2CC[C@H](CNC(=O)CCCC(N)=O)C2)n1 1100988529 PBCKSRQOXOPQDG-LLVKDONJSA-N 316.365 -0.054 30 20 DBED C[C@H](CC(N)=O)C(=O)NCCN(c1ccnc(C#N)n1)C1CC1 1101430349 AFNFJRSMNRCFFX-SNVBAGLBSA-N 316.365 -0.055 30 20 DBED CCN1CCOC[C@H]1C(=O)N(C)CCNc1ccc(C#N)nn1 1101844862 UHGTUGDBWPDEIB-ZDUSSCGKSA-N 318.381 -0.061 30 20 DBED Cc1ncoc1C(=O)NC[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1101849278 BPBWSPTVYSXQEF-ZYHUDNBSSA-N 319.365 -0.080 30 20 DBED CN(CCNc1ncccc1C#N)C(=O)CN1CCNC(=O)C1 1101893020 PDFNOPOWKRNHIM-UHFFFAOYSA-N 316.365 -0.745 30 20 DBED CO[C@H](C(=O)NC[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C)C(C)C 1102322284 MDZKFPHZQBKQEH-NFAWXSAZSA-N 324.425 -0.019 30 20 DBED CC[C@@H](CNC(=O)Cn1nccn1)N=c1cc[nH]c(C#N)n1 1103214303 NIGLMBPVNTZOID-JTQLQIEISA-N 300.326 -0.631 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)[C@H]1COCCO1 1104479247 INYKEKUZWVHQGV-GHMZBOCLSA-N 305.338 -0.556 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)[C@H](C)CNc1nccn2nnnc12 1104682773 CDJPEXSFZDIVRJ-MNOVXSKESA-N 317.353 -0.184 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)[C@H]1C[C@H]1C(N)=O 1104827489 VWDWZNHXYVSGLC-BBBLOLIVSA-N 302.338 -0.850 30 20 DBED C=C(C)CNCc1cn(C2CN(C(=O)[C@H](C)NC(N)=O)C2)nn1 1105221304 FHELFNYAEIQOHC-JTQLQIEISA-N 321.385 -0.616 30 20 DBED CN1CCCC[C@@H]1C(=O)N1CC(n2cc(CNCC#N)nn2)C1 1105270723 JLKOYEIEPZUKSZ-CQSZACIVSA-N 317.397 -0.241 30 20 DBED CN(CCN(C)c1cncc(C#N)n1)C(=O)c1cnnn1C 1105393079 IWIVYLFEXDMQDQ-UHFFFAOYSA-N 300.326 -0.315 30 20 DBED Cc1[nH]nc(C(=O)NC[C@@H](O)CNc2cnc(C#N)cn2)c1C 1105762278 NPRBWIAKFRDWEO-NSHDSACASA-N 315.337 -0.109 30 20 DBED Cn1ccc(CC(=O)NC[C@@H](O)CNc2nccnc2C#N)n1 1105818058 DVKINIFLZXCSNT-LLVKDONJSA-N 315.337 -0.787 30 20 DBED N#Cc1cnc(NC[C@H](O)CNC(=O)C[C@@H]2COC(=O)C2)cn1 1105819066 ASUWMZNYLQQCQM-ONGXEEELSA-N 319.321 -0.810 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H](O)CNC(=O)Cc1cccnc1 1105819374 DIMRSTMWVBOKPK-AWEZNQCLSA-N 311.345 -0.098 30 20 DBED CC(=O)NC(C)(C)C(=O)NC[C@@H](O)CNc1ccc(C#N)nc1 1105897323 CGIRGCPQKLEOJA-ZDUSSCGKSA-N 319.365 -0.243 30 20 DBED N#Cc1nccnc1NC[C@H](O)CNC(=O)Cc1ncc[nH]1 1105937033 BPPYVBKAMNSNPD-SECBINFHSA-N 301.310 -0.797 30 20 DBED COC[C@@H](OC)C(=O)NC[C@H](O)CNc1nc(C)ccc1C#N 1106087082 MMOQDGFXERLVEJ-CHWSQXEVSA-N 322.365 -0.188 30 20 DBED COC[C@H](OC)C(=O)NC[C@@H](O)CNc1ccc(C#N)c(C)n1 1106087305 NYRDEVMAPWTDJC-STQMWFEESA-N 322.365 -0.188 30 20 DBED C[C@H](CCN=c1cc[nH]cc1C#N)NC(=O)[C@H]1CNC(=O)N1 1106542511 GJUIOFQRNTWGTN-BXKDBHETSA-N 302.338 -0.637 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)CCn1ccnn1 1106741068 KMVKLVBYCFMEMT-UHFFFAOYSA-N 314.353 -0.288 30 20 DBED C=CCCCC(=O)NCc1cn(C2CN(CC(=O)NC)C2)nn1 1107199584 NQVLXJSBBJSBMB-UHFFFAOYSA-N 320.397 -0.147 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)CCCS(C)(=O)=O)C1 1108274559 IDHCQRMHUBIEAO-AWEZNQCLSA-N 316.423 -0.349 30 20 DBED C[C@@]1(CNC(=O)COC[C@H]2CCCO2)CN(CC#N)CCO1 1108441799 SLDCRBAXYUSBKV-UKRRQHHQSA-N 311.382 -0.087 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)[C@@H](C)NC(C)=O)CC2=O)C1 1108499013 DMOJZJQANVSMIC-PWSUYJOCSA-N 308.382 -0.902 30 20 DBED CC[C@H](C)OCC(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1 1108533232 RKMKXBBJBBBYSQ-NWDGAFQWSA-N 308.382 -0.274 30 20 DBED CCO[C@H](C(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1)C1CC1 1108546332 UROAGGFCIMOOOK-DOMZBBRYSA-N 320.393 -0.274 30 20 DBED C=CC(C)(C)C(=O)N[C@H]1CC(=O)N(C2CN(CC(=O)NC)C2)C1 1108560091 HHTUKMITFHMGAL-NSHDSACASA-N 322.409 -0.654 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)[C@H]1CCN(C)C1=O 1108646484 BXEBUVRYTATBPZ-VHSXEESVSA-N 302.338 -0.835 30 20 DBED CC(=O)NCC(=O)N[C@H]1[C@H]2C[C@H]1N(c1cnc(C#N)cn1)C2 1109671089 SOGBKGPRZCAHNK-PXWWUCIGSA-N 300.322 -0.822 30 20 DBED C#CCNC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1nc[nH]n1 1109861355 JCDVVHHULAARBD-USZNOCQGSA-N 316.365 -0.722 30 20 DBED N#Cc1nc(=NC[C@H](NC(=O)C2(C(N)=O)CC2)C2CC2)cc[nH]1 1109963793 PGWYOTCCWSDUOB-JTQLQIEISA-N 314.349 -0.658 30 20 DBED N#Cc1cccnc1NCCN(CCO)C(=O)CCNC(N)=O 1111473173 COJVTGXSJBLUFE-UHFFFAOYSA-N 320.353 -0.756 30 20 DBED COCC(=O)NC[C@@H]1CN(c2nc(C)ccc2C#N)C[C@H]1O 1112693221 YPOJNXLCKQLWEE-CHWSQXEVSA-N 304.350 -0.179 30 20 DBED C#CCOCCC(=O)NC[C@H]1CN(c2cc(F)ncn2)C[C@@H]1O 1112738006 LHQSILPTCAGZHE-RYUDHWBXSA-N 322.340 -0.431 30 20 DBED C#CCO[C@H](C)C(=O)N1CCN(CC(=O)Nc2ccon2)CC1 1112841853 PDNKJIYBMKURSQ-GFCCVEGCSA-N 320.349 -0.204 30 20 DBED CC(C)c1n[nH]cc1C(=O)N1CCN(CC(=O)NCC#N)CC1 1113059315 UZZGVWCAKXGEEV-UHFFFAOYSA-N 318.381 -0.069 30 20 DBED C[C@H](NC(=O)C1CS(=O)(=O)C1)[C@@H](C)Nc1cncc(C#N)n1 1113182438 FUXRPPWTSAPIQF-BDAKNGLRSA-N 323.378 -0.302 30 20 DBED C[C@H](CNC(=O)CNC(=O)C1CC1)N(C)c1ccnc(C#N)n1 1113505040 OKTQFDJMDCDNRI-SNVBAGLBSA-N 316.365 -0.185 30 20 DBED C[C@H](C#N)C(=O)NC1[C@H]2CN(CC(=O)N3CCOCC3)C[C@H]12 1114067024 LRJABUFLHHFNFZ-WOPDTQHZSA-N 306.366 -0.949 30 20 DBED C#CCN1C[C@H]2[C@H](NC(=O)[C@@H](Cn3cccn3)N(C)C)[C@H]2C1 1114404831 ICPAPSDDOYLINF-BARDWOONSA-N 301.394 -0.507 30 20 DBED CCn1cnc(C(=O)NC2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]23)c1 1115128677 QDIROYNOIOJQAL-GHMZBOCLSA-N 316.365 -0.797 30 20 DBED C#CCCN1C[C@H]2C(NC(=O)C(=O)Nc3cc(C)on3)[C@@H]2C1 1115231963 OYVJMVPBWFANBA-GHMZBOCLSA-N 302.334 -0.009 30 20 DBED CCn1nc(C)c(C(=O)NC2[C@@H]3CN(CC#CCOC)C[C@@H]23)n1 1115351780 AJMPCOUADKXARF-CHWSQXEVSA-N 317.393 -0.084 30 20 DBED CCOC(=O)c1cnn(C)c1NC(=O)C(=O)NCCCC#N 1116720821 HFBFIOVZABIBLB-UHFFFAOYSA-N 307.310 -0.045 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)NC[C@H]1CCCCO1 1117087430 AOHCKVQLEASUOC-LLVKDONJSA-N 318.395 -0.611 30 20 DBED C=CCn1c(C(N)=O)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1121509246 GCGIQJVUXJIKHQ-HZMBPMFUSA-N 307.354 -0.053 30 20 DBED COCC#CCNC1CC2(C1)CC(NC(=O)c1nnn(C)n1)C2 1121548335 CPVYSYDNRSAQLX-UHFFFAOYSA-N 318.381 -0.510 30 20 DBED CO[C@@H](C)CC(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1 1122408231 LNLDLAUALMVZFO-UWVGGRQHSA-N 302.352 -0.623 30 20 DBED CNC(=O)NCC(=O)N1C[C@@H](Nc2ccc(C#N)nn2)C[C@@H]1C 1123322356 YKYWPWXDBLSGNH-ONGXEEELSA-N 317.353 -0.321 30 20 DBED C#CCOCCN(C)C(=O)CSCC(=O)N1CCOCC1 1124132694 XUBIMZYGBCJORQ-UHFFFAOYSA-N 314.407 -0.313 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)c1cocn1 1124200447 NPKFYWOAGLIEQO-VIFPVBQESA-N 302.294 -0.697 30 20 DBED N#Cc1c[nH]c(C(=O)NCCNCC(=O)Nc2nncs2)c1 1125390913 JETVZJYGIVGAKJ-UHFFFAOYSA-N 319.350 -0.304 30 20 DBED C#CCNC(=O)CC(=O)NCCNCc1nc(C(C)C)n[nH]1 1125978144 MHBUNWRWYKPGLN-UHFFFAOYSA-N 306.370 -0.727 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CN2CCC1CC2 1127481266 QRTRPYRTWLHVJJ-TZMCWYRMSA-N 306.410 -0.828 30 20 DBED CC(C)(C)C#CC(=O)N1C[C@H](n2ccnn2)[C@H](NCCO)C1 1129816644 GPVACLGMHQUXDZ-OLZOCXBDSA-N 305.382 -0.339 30 20 DBED C=CCN[C@@H]1CN(C(=O)[C@H](C)CC(N)=O)C[C@@H]1n1ccnn1 1129956395 HKTXCEJRSJGJJX-UTUOFQBUSA-N 306.370 -0.683 30 20 DBED N#CCN1C[C@H]2C[C@H]3CN(C(=O)CCCCC(N)=O)C[C@@]3(C1)O2 1131286043 NHGNUASMBWTVFE-WOSRLPQWSA-N 320.393 -0.143 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)COCC(F)F)CC1 1131371466 GRPLRNBMAVXITQ-UHFFFAOYSA-N 317.336 -0.448 30 20 DBED C[C@@H]1CC[C@@H](NC(=O)c2ncccn2)CN1CC(=O)NCC#N 1132376262 LXFAJPBCWAUQKR-VXGBXAGGSA-N 316.365 -0.301 30 20 DBED C=C(Br)CNCCNC(=O)[C@H]1CN(C)C(=O)N1 1132382290 HICIVCDWRNTHMG-MRVPVSSYSA-N 305.176 -0.376 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)c2cc[nH]n2)CC[C@H]1C 1132655059 HFKCZVAZMUULAA-CHWSQXEVSA-N 317.393 -0.153 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)C[C@@H](C)NCc1ncnn1C 1134130678 LGZCSDJYMOMNFH-NEPJUHHUSA-N 320.397 -0.673 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)COCC(F)F)NCC(=O)NCC#N 1135069849 GOPWOTFTSXTVOR-VHSXEESVSA-N 320.340 -0.219 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@H]1CCCCN(C)C1=O 1147639240 OTPXVPJLWVCEJD-QWHCGFSZSA-N 322.409 -0.911 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)Cn2cccc(C)c2=O)C1 1149720846 GJCSOZAYPKECGU-OAHLLOKOSA-N 317.389 -0.003 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@H](C)N(CC)CC(=O)NCC#N 1153012159 DYCABROXJHUQFB-DOMZBBRYSA-N 310.398 -0.220 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)Cc1nnc(C)o1 1153127201 YXDOCTZVAIWKJW-SNVBAGLBSA-N 322.369 -0.613 30 20 DBED N#CCNC(=O)CNCCNC(=O)CC(F)(F)C(F)(F)F 1153781828 BPAJZALCACSBFG-UHFFFAOYSA-N 316.230 -0.080 30 20 DBED N#Cc1cc(CNCCCNC(=O)CNC(N)=O)ccc1F 1154458187 WWMIAENCAAOAJS-UHFFFAOYSA-N 307.329 -0.038 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)C[C@@H]1CCN(C)C1 1156374532 RIGZWVASAHJMTI-CABCVRRESA-N 322.453 -0.096 30 20 DBED C#CCNC(=O)CC(=O)NCCCNCC(=O)N[C@H](C)C1CC1 1156852404 BXNQRWBGVLMTNP-GFCCVEGCSA-N 322.409 -0.864 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)CCc1ccon1 1162561126 ZQAROCXTUMTAFG-GFCCVEGCSA-N 306.366 -0.159 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)c1cnc(O)n1C 1163940018 VYAVILPWMZKOLI-JTQLQIEISA-N 309.370 -0.474 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)c1cncc(OC)n1 1167703652 CMWUJYOKNGWLFD-LLVKDONJSA-N 319.365 -0.667 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@@H]1CCN(C(=O)CC)C1 1170367759 GMWFRYHOQDYLHC-CYBMUJFWSA-N 324.425 -0.357 30 20 DBED N#CCN1CCO[C@@H]2CCN(C(=O)CCCCC(N)=O)C[C@@H]21 1177133265 ZHQJJJADFCADLQ-QWHCGFSZSA-N 308.382 -0.143 30 20 DBED C[C@H](NC(=O)C1CCC1)C(=O)NCCCNCC(=O)NCC#N 1177486823 HHGFWKCMCGOJHJ-NSHDSACASA-N 323.397 -0.973 30 20 DBED C=C(C)CNCCCCCCNC(=O)CNS(=O)(=O)NC 1179139919 UXCRZTXTPUJXQQ-UHFFFAOYSA-N 320.459 -0.118 30 20 DBED C=CCNC(=O)CNCCCCCCNC(=O)Cn1cncn1 1180219911 HKRAQHTVWOZAFM-UHFFFAOYSA-N 322.413 -0.154 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2C)C1 1185110231 PMSRNIRWFMKWFZ-VXGBXAGGSA-N 308.382 -0.900 30 20 DBED COCC#CCN(C)[C@@H]1CCN(C(=O)c2cn(C)c(=O)cn2)C1 1191440214 BOMZNJMIUDFNLY-CYBMUJFWSA-N 318.377 -0.424 30 20 DBED COCC#CCN(C)[C@@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C1 1192836598 ACKCLDZGYLZOJP-CYBMUJFWSA-N 321.377 -0.778 30 20 DBED C=C(C)C(C)(C)C(=O)N[C@@H]1CN(CC(=O)N2CCC2)C[C@H]1O 1195246813 ODDAHVIBOALTKJ-CHWSQXEVSA-N 309.410 -0.018 30 20 DBED Cc1ccnn1CC(=O)N1CCCN(CC(=O)NCC#N)CC1 1197283771 TWCYJIWDFLJRST-UHFFFAOYSA-N 318.381 -0.634 30 20 DBED N#CCNC(=O)CNC[C@@H]1CN(C(=O)C2CC=CC2)CCCO1 1200165484 QBBLNNXRMSLVHV-CQSZACIVSA-N 320.393 -0.201 30 20 DBED N#CCNC(=O)CNC1CCN(C(=O)c2cncnc2)CC1 1200178356 HMQQWRVQZZCFMC-UHFFFAOYSA-N 302.338 -0.689 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)c2n[nH]cc2C)CC1 1200426349 UHOQZIFWKMIUMX-UHFFFAOYSA-N 303.366 -0.338 30 20 DBED C#CCNC[C@H]1CN(C(=O)[C@H]2CC(=O)N(CC)C2)CCCO1 1200636505 ZPKMHAWYGBQVCH-KBPBESRZSA-N 307.394 -0.305 30 20 DBED Cn1cc(OCC(=O)N2CCCO[C@H](CNCC#N)C2)cn1 1201251882 GBFBYBUCWVOMCU-GFCCVEGCSA-N 307.354 -0.470 30 20 DBED CC#CCNC[C@H]1CN(C(=O)[C@]2(C)CCNC2=O)CCCO1 1201396598 ZSYQFSDABPTVQS-XJKSGUPXSA-N 307.394 -0.257 30 20 DBED C=CCOCCNC1CCN(C(=O)C2CC(=O)NC(=O)C2)CC1 1202925498 FNNSYUPBHHFWMA-UHFFFAOYSA-N 323.393 -0.178 30 20 DBED COCC#CCN[C@@H]1C[C@@H](NC(=O)C2(C(N)=O)CC2)C12CCC2 1203339812 KCGHLAJVEKGZMW-CHWSQXEVSA-N 319.405 -0.081 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)[C@@H]2CCCN2C)CC1 1204798027 DLINBPFCUDHOJH-HNNXBMFYSA-N 320.437 -0.342 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)c2cnccn2)[C@H](C)C1 1205759405 AOPNABSCHIDEPU-DGCLKSJQSA-N 303.366 -0.171 30 20 DBED Cc1cnn(CC(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@H]2C)c1 1206294367 HKUHTHHZAZIJRP-CHWSQXEVSA-N 318.381 -0.732 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 1209669363 POBJEQIRRBNZRE-KBPBESRZSA-N 308.426 -0.343 30 20 DBED COCC#CCN1C[C@@H](NC(=O)CN(C)C2CCC2)[C@H](OC)C1 1212416200 BAGAEYPVDGTOOB-HZPDHXFCSA-N 323.437 -0.064 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C 1214588059 VOKVBCCUEQJVDS-VNHYZAJKSA-N 301.390 -0.026 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C[C@H]1C 1215358075 SJAWLPYXDDUXKF-LACSLYJWSA-N 319.405 -0.547 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CCOC1 1217419722 AIPIDKJGOVMBNK-HZSPNIEDSA-N 323.393 -0.763 30 20 DBED C#CCCCC(=O)N1CCO[C@@H]2CN(C[C@H](O)COC)C[C@@H]21 1217758709 REROUSHKSZADFG-SOUVJXGZSA-N 310.394 -0.291 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)C[C@H](C)N2CCCCC2=O)C1 1219621126 XQEYKOHUYSYDHJ-ZNMIVQPWSA-N 321.421 -0.038 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(Cc2nc(CC)no2)C[C@@H]1O 1221139673 IVXUCELPVPGWNQ-NEPJUHHUSA-N 324.381 -0.114 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2nonc2C)C[C@@H]1O 1221143498 GXTLRNQGRDIZGF-UHTWSYAYSA-N 310.354 -0.370 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H]2CCN(CCOCC=C)C[C@H]21 1221491535 NJBPXLVPKWRYLM-HUUCEWRRSA-N 319.405 -0.139 30 20 DBED N#CCNC(=O)CN1CCC(NC(=O)[C@@H]2CCCOC2)CC1 1226527980 QYQWRFRTCNFKRG-GFCCVEGCSA-N 308.382 -0.367 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)c2ccnnc2C)CC1 1228169480 WPJQKWUTQONIDA-UHFFFAOYSA-N 315.377 -0.271 30 20 DBED C=CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)c1ccnn1C 1231071081 UTLGYKWEDSJXCO-GFCCVEGCSA-N 305.382 -0.131 30 20 DBED C[C@H](C#N)C(=O)N(C)C[C@@H]1CCN1CC(=O)NC(=O)NC1CC1 1231245721 AQHCCILJMRCDOB-PWSUYJOCSA-N 321.381 -0.333 30 20 DBED CN(C[C@H]1CCN1[C@H]1CCC(=O)NC1=O)C(=O)C#CC1CC1 1234179955 YUSOEHXEMPYAHZ-OLZOCXBDSA-N 303.362 -0.262 30 20 DBED CN1CC[C@@]2(CCN(C(=O)C(=O)Nc3cnn(CC#N)c3)C2)C1 1261241790 YOHVLKKCMISETA-OAHLLOKOSA-N 316.365 -0.101 30 20 DBED CN(C)CCN(C)C(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1261861282 STWZSOZDMJTWJD-ZDUSSCGKSA-N 307.398 -0.795 30 20 DBED C=CCN1CCC(NC(=O)C(=O)NCCc2cnn(C)c2)CC1 1321833823 KCVKAPVKBASWSO-UHFFFAOYSA-N 319.409 -0.155 30 20 DBED CN1CCC(CCNC(=O)C(=O)N2CCO[C@H](C#N)C2)CC1 1322507693 PMHHYQNKPXSQHY-CYBMUJFWSA-N 308.382 -0.415 30 20 DBED N#C[C@]1(F)CCN(C(=O)C(=O)N2CC(=O)N[C@H]3CCCC[C@H]32)C1 1325190392 YDRSOGOSDMYXKS-FIXISWKDSA-N 322.340 -0.280 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2CCC[C@@]23NC(=O)NC3=O)nn1 1326344601 WBJRIRTXJPPPRL-LKFCYVNXSA-N 318.337 -0.428 30 20 DBED C#C[C@H](NC(=O)C(=O)NC[C@@H](C)C(=O)OC(C)C)[C@@H]1CCCO1 1327045316 JSDNDFCAOIHNOQ-AGIUHOORSA-N 324.377 -0.013 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)NCCCN1CCOCC1 1327258800 BNMHCYQXVOFERZ-UHFFFAOYSA-N 305.378 -0.690 30 20 DBED C=CC[C@@H]1CCCN(C(=O)C(=O)NCCNS(C)(=O)=O)C1 1327917648 WYLUVCBZBLRZFY-LLVKDONJSA-N 317.411 -0.534 30 20 DBED C[C@H](O)C[C@H]1CCCN1C(=O)C(=O)NC1CCN(CC#N)CC1 1328685026 LVUSPJUFNZJHDO-GXTWGEPZSA-N 322.409 -0.148 30 20 DBED C=CCCOCCn1nnnc1N1CCCS(=O)(=O)CC1 1334174679 PGJCBNHRWXMWMB-UHFFFAOYSA-N 315.399 -0.109 30 20 DBED C#CCOCCn1nnnc1N1CCN(C(=O)N(C)C)CC1 1334468024 BWLPXJPZWDQQTF-UHFFFAOYSA-N 307.358 -0.874 30 20 DBED N#CCCN(CCN1CCOCC1)C(=O)c1cnnc(O)c1 1361975881 CWSDIONAFKRPKI-UHFFFAOYSA-N 305.338 -0.130 30 20 DBED Cn1nccc1[C@H]1C[C@H](NC(=O)Cn2cnc(C#N)n2)CCO1 1362694493 RAVAZNCLDQERJV-ZYHUDNBSSA-N 315.337 -0.080 30 20 DBED Cn1c(=O)[nH]c(N2CCC(n3cnnc3O)CC2)c(C#N)c1=O 1363734592 RRGWGBDEGSFWPZ-UHFFFAOYSA-N 317.309 -0.916 30 20 DBED CO[C@@H]1COCC[C@@H]1CNS(=O)(=O)N(C)C[C@@H](C)C#N 1364876355 XWCYHZRQQSOZEF-QJPTWQEYSA-N 305.400 -0.036 30 20 DBED N#Cc1ncccc1S(=O)(=O)NC1CN(c2ccncn2)C1 1365727789 KQMZSPOSTNRKDU-UHFFFAOYSA-N 316.346 -0.090 30 20 DBED CNC(=O)NCC(=O)N[C@H](CNC(=O)[C@H](C)C#N)CC(C)C 1375828202 HRISWOBCKVCRHM-MNOVXSKESA-N 311.386 -0.278 30 20 DBED CCS(=O)(=O)CC(=O)N1CC[C@H](N(C)C(=O)[C@H](C)C#N)C1 1396801526 XYPNBCMKEDYEKQ-MNOVXSKESA-N 315.395 -0.360 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1cnn(C2CCC2)c1 1399839997 YEVAXHPBWKPAIA-MFKMUULPSA-N 319.365 -0.025 30 20 DBED C=C(Cl)CN1CCC[C@@H]1CNC(=O)CN1CCNC(=O)C1 1399885416 XVZYGSYEQBSEQF-GFCCVEGCSA-N 314.817 -0.249 30 20 DBED N#Cc1cn(CC(=O)NCC2(CCO)CCCC2)c(=O)nc1O 1411887220 MNVXNYHTQNZGKV-UHFFFAOYSA-N 320.349 -0.120 30 20 DBED N#CC1(C(=O)N2CC[C@@H](CS(N)(=O)=O)C2)CCOCC1 1412745290 QLAQMCIWBHCPHR-SNVBAGLBSA-N 301.368 -0.556 30 20 DBED C[C@@H]1c2nncn2CCN1C(=O)NCCn1cnc(C#N)n1 1414633467 NUYUCFVRXRCJGS-SECBINFHSA-N 301.314 -0.472 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1conc1C1CC1 1416781795 KLWHMQPEGSBMFC-WCBMZHEXSA-N 306.322 -0.081 30 20 DBED N#Cc1cn(CCNC(=O)N[C@H]2CCSC2)c(=O)nc1O 1427465965 SYQRAROHAWMWIJ-VIFPVBQESA-N 309.351 -0.375 30 20 DBED CC(C)C[C@@H](CCO)CNC(=O)Cn1cc(C#N)c(O)nc1=O 1445647788 AXMDHNZZWWUEDA-LLVKDONJSA-N 322.365 -0.019 30 20 DBED COc1cc(C(=O)N2CC(CNC(=O)[C@H](C)C#N)C2)nn1C 1456586762 OFRSKVGGFVTCPK-SECBINFHSA-N 305.338 -0.223 30 20 DBED CC[C@H](CN1CCCC1)NC(=O)Cn1cc(C#N)c(O)nc1=O 1465068015 GNKQKQNDMGYLAV-GFCCVEGCSA-N 319.365 -0.189 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@H](NCC(=O)Nc2nncs2)C1 1490878785 SQBDNOSAXZYHPH-IWSPIJDZSA-N 308.367 -0.127 30 20 DBED Cn1cnc(C(=O)NC[C@@H](O)CNC(=O)c2ccc(C#N)[nH]2)c1 1533227738 DBSKVXUTRMVHGV-JTQLQIEISA-N 316.321 -0.859 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](C)N(C)c1ccnc(-c2nn[nH]n2)n1 1573575694 ALNDRIZZGKPFIQ-DTWKUNHWSA-N 315.341 -0.243 30 20 DBED COC[C@]1(C(=O)O)CCN(C(=O)[C@H](C)n2cnc(C#N)n2)C1 1574130787 ROZVPVKVNALILS-ZANVPECISA-N 307.310 -0.340 30 20 DBED C=CCN(C)C[C@H](O)CN(C)C(=O)[C@@H](C)OCc1cnn[nH]1 1575100820 XJXMDJRMLGZLDE-YPMHNXCESA-N 311.386 -0.353 30 20 DBED C#CCN(CC(=O)O)C(=O)CN1C(=O)COc2ccccc21 1588401835 DQNQDEKCFYRWMA-UHFFFAOYSA-N 302.286 -0.042 30 20 DBED C=CCNC(=O)CNS(=O)(=O)c1ccccc1-c1nn[nH]n1 1588658751 RTSULEOBDRFBTC-UHFFFAOYSA-N 322.350 -0.553 30 20 DBED C=CCn1cc(CNS(=O)(=O)c2cc(C(=O)O)no2)nn1 1588909078 IEWYUDRMDREYAH-UHFFFAOYSA-N 313.295 -0.371 30 20 DBED Cn1nccc1[C@H](O)CNc1cnc(-c2nn[nH]n2)c(C#N)n1 1592604279 TZUFVXONMLYPSZ-SECBINFHSA-N 312.297 -0.593 30 20 DBED N#Cc1cn(CC(=O)O)c(=O)n(Cc2cnoc2C2CC2)c1=O 1594633919 ZJOZQELFPUBUPR-UHFFFAOYSA-N 316.273 -0.120 30 20 DBED C#CCCCNC(=O)C(=O)N1CCN(C(C)(C)C(=O)O)CC1 1602705021 BKQRJKIPXXADBM-UHFFFAOYSA-N 309.366 -0.477 30 20 DBED C#CCOCCC(=O)N[C@@H](C)[C@@H](C)N=c1cc[nH]c(C(=O)O)n1 1602727662 CRZRREGXWRYICU-MNOVXSKESA-N 320.349 -0.058 30 20 DBED CN1C[C@H](C(=O)O)N(CC(=O)Nc2cccc(C#N)c2)CC1=O 1606204494 UJGIOOSWNLFDQJ-GFCCVEGCSA-N 316.317 -0.276 30 20 DBED N#C[C@H]1COCCN1C(=O)c1ccc(-c2nn[nH]n2)c(O)c1 1606345806 PTVSRNJGXMVINZ-VIFPVBQESA-N 300.278 -0.063 30 20 DBED COC(=O)[C@H]1C[C@@H](C(=O)O)CCN1S(=O)(=O)CCCC#N 1606377039 RZIDKVKVTXWEDN-VHSXEESVSA-N 318.351 -0.042 30 20 DBED Cn1c(=O)[nH]c(N2C[C@@H]3CCC[C@]3(C(=O)O)C2)c(C#N)c1=O 1608075435 CENPYJOANCKJLH-RTHLEPHNSA-N 304.306 -0.364 30 20 DBED C[C@@H](OC(=O)Cn1cc(C(=O)O)nn1)C(=O)N(C)CCC#N 1609799998 RCUCPVPAFRZWNK-MRVPVSSYSA-N 309.282 -0.720 30 20 DBED CN(CCC#N)C[C@H](O)CN[C@@H]1CCN(c2cnn(C)c2)C1 1645853553 OUSYUHGSYSQPIY-UKRRQHHQSA-N 306.414 -0.205 30 20 DBED C=CCNC(=O)[C@H](C)N[C@H]1C[C@@H](NC(=O)c2n[nH]c(C)c2O)C1 1752753132 XZSHTPMAEQQAKJ-GARJFASQSA-N 321.381 -0.035 30 20 DBED C=CCNC[C@H]1CCCN(C(=O)[C@H](C)NS(C)(=O)=O)C1 1752808361 ZPWAQFXDRGRSBC-NWDGAFQWSA-N 303.428 -0.062 30 20 DBED C#CCNC(=O)CN[C@H](C)CNC(=O)c1ccn(C(C)C)n1 1752905917 GZYYKEYFRNBOSW-GFCCVEGCSA-N 305.382 -0.079 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC[C@@H]1CNC(=O)Cc1ncc[nH]1 1753113754 NIBGOCWMRJXSKH-CHWSQXEVSA-N 317.393 -0.329 30 20 DBED C#CCNC(=O)[C@@H](C)NCCN(C)C(=O)c1cc(COC)on1 1753238502 LCMNGPPWDSVFOZ-LLVKDONJSA-N 322.365 -0.380 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC(CNC(=O)Cc2cncs2)C1 1753405334 KGMZDUMEFBYWNH-LLVKDONJSA-N 320.418 -0.129 30 20 DBED CC[C@@H](CNC(=O)c1nnc(O)nc1O)NCC#CCOC 1753476381 ALKGGPXYVRMJDN-VIFPVBQESA-N 309.326 -0.969 30 20 DBED C#CCNC(=O)CNC[C@@H](C)CNC(=O)C(C)(C)c1cnc[nH]1 1753637853 OWJXEFPZSYIYJM-GFCCVEGCSA-N 319.409 -0.221 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H](O)CNCC(=O)NC(C)C)cn1 1753934055 RZLWWMGZTPAFSU-AWEZNQCLSA-N 318.377 -0.732 30 20 DBED CN1CC[C@H](CC(=O)N(C)CCCNCC(=O)NCC#N)C1 1754407802 MPNUTVHWSYBEND-CYBMUJFWSA-N 309.414 -0.594 30 20 DBED N#CCNC(=O)CN1CC[C@](O)(CNC(=O)CCC(F)F)C1 1754756760 VDPAHSHXUHLDCA-ZDUSSCGKSA-N 318.324 -0.776 30 20 DBED COCC#CCN1CC(O)(CNC(=O)CC[C@H]2CCCN2C)C1 1754768911 GFOBXVJCSJQSGI-OAHLLOKOSA-N 323.437 -0.327 30 20 DBED COCC#CCNCC[C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1 1754906689 GMQAUXPWLMZIML-ZIAGYGMSSA-N 307.394 -0.257 30 20 DBED NC(=O)C(=O)NC[C@@H]1COCCN1CC#Cc1ccc(F)cc1 1754970898 CGISOWIEEKOOGO-CQSZACIVSA-N 319.336 -0.521 30 20 DBED C=CCNC(=O)CNC1(CNC(=O)c2c[nH]c(=O)cn2)CCC1 1754986004 OLDSAUPNOPDPQB-UHFFFAOYSA-N 319.365 -0.686 30 20 DBED C#CCNC(=O)CNC[C@H]1CN(C(=O)CCCC=C)CCO1 1755011374 WNIFNZRAFOTCQS-AWEZNQCLSA-N 307.394 -0.091 30 20 DBED CC#CCN[C@]1(CO)CCCN(C(=O)[C@H]2CCNC(=O)CC2)C1 1755087466 VBFQDONLCBXJFS-RHSMWYFYSA-N 321.421 -0.131 30 20 DBED C#CCNC(=O)CN[C@@H](C)[C@H](C)NC(=O)c1ccnnc1C 1755242002 KDXRHQTWTFKHJJ-QWRGUYRKSA-N 303.366 -0.369 30 20 DBED C#CCNC(=O)CN[C@@H](C)[C@@H](C)NC(=O)c1ncc(OC)cn1 1755242991 GODIIZDCGCQCPE-WDEREUQCSA-N 319.365 -0.669 30 20 DBED N#CCN1CC(CCO)(NC(=O)[C@H]2COc3ccccc3O2)C1 1755338211 LYOQNVCADRQOER-CQSZACIVSA-N 317.345 -0.097 30 20 DBED C=CCCN1C[C@@H]2C(CNC(=O)C[C@@H]3CC(=O)NC3=O)[C@H]2C1 1755439273 NCAPRMJBRGMARX-RAIGVLPGSA-N 305.378 -0.091 30 20 DBED CC#CCN[C@H](CO)CNC(=O)c1ccccc1OCC(N)=O 1755632726 IYUNJMWJOCXAJP-LBPRGKRZSA-N 319.361 -0.746 30 20 DBED CN(C[C@H](O)CNC(=O)c1ccccn1)C(=O)CSCC#N 1756653233 AHWZMLYVIWVFJX-LLVKDONJSA-N 322.390 -0.113 30 20 DBED C#CCOCCC(=O)NC1CC(N(C)C(=O)[C@H](C)NC(C)=O)C1 1756734338 XEBLFGXYDBOPFI-XGNXJENSSA-N 323.393 -0.344 30 20 DBED N#CCC(=O)N1CCO[C@]2(CCN(C(=O)Cn3nccn3)C2)C1 1781419726 SWEPYHIKSLSJCZ-AWEZNQCLSA-N 318.337 -0.978 30 20 DBED CC[C@H](CC#N)NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 54178792 WQCKCDXLQNKUKN-MRVPVSSYSA-N 300.340 -0.945 30 20 DBED N#C[C@@H]1CN(C(=O)Cn2cnnn2)CCN1Cc1ccccc1 74681917 SCARMNJITYMQMX-CQSZACIVSA-N 311.349 -0.090 30 20 DBED C[C@H](C#N)S(=O)(=O)N1CCc2cc(S(N)(=O)=O)ccc21 88486350 KULNHBUBIKETRG-MRVPVSSYSA-N 315.376 -0.062 30 20 DBED C=CCN1CCC(NC(=O)N2C[C@@H](C(N)=O)O[C@H](C)C2)CC1 177239635 WTLQRSIDIAQWEJ-YPMHNXCESA-N 310.398 -0.079 30 20 DBED Cn1c(N2C[C@@H]3C[C@H]4C[C@H]3[C@H]2[C@H]4O)c(C#N)c(=O)n(C)c1=O 249403466 CJAINDWHMITZCL-NFQPTNBHSA-N 302.334 -0.839 30 20 DBED N#Cc1ccc(S(=O)(=O)NC[C@H]2CC(C(N)=O)=NO2)cc1 275823321 BCSFHVCHUCRWNQ-SECBINFHSA-N 308.319 -0.533 30 20 DBED C#CCN(CC#N)CC(=O)c1c(O)nc(=O)n(CC(C)C)c1N 281448381 SHGAIEXPMRKDSW-UHFFFAOYSA-N 317.349 -0.171 30 20 DBED CN1CC[C@H]2OCCN(C(=O)CNc3ccc(C#N)cn3)[C@H]2C1 329212436 ZXFUKFAABGXTEV-UONOGXRCSA-N 315.377 0.297 30 20 DBED O=C1C[C@H](/N=C(/O)CN2CCS(=O)(=O)CC2)CN1C1CC1 330053794 QYMVBAZCDQKSOW-JTQLQIEISA-N 315.395 -0.563 30 20 DBED CC[C@H](N/C(O)=N/CC(=O)N(C)CC)C(=O)N1CCOCC1 331043815 GFFKODRSPAOITQ-NSHDSACASA-N 314.386 -0.394 30 20 DBED CCN(C)C(=O)C/N=C(/O)N1CCN(Cc2nc(C)no2)CC1 331067158 YTIWFDBFRIFNAE-UHFFFAOYSA-N 324.385 -0.112 30 20 DBED CSCC[C@@H](CO)NS(=O)(=O)N1CCO[C@H](C#N)C1 336897968 OWRHKZNAIPAJCI-VHSXEESVSA-N 309.413 -0.841 30 20 DBED CCN(CCC#N)S(=O)(=O)N1C[C@@H](C)O[C@@H](C(N)=O)C1 336944029 MAKXDWGECBTUAC-NXEZZACHSA-N 304.372 -0.959 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)NC[C@@H](CO)[C@H]1CCOC1 337164653 YAQUDIXVRGJADS-WOPDTQHZSA-N 305.400 -0.443 30 20 DBED COC[C@H](O)CNC(=O)C(=O)Nc1cc(C#N)ccc1OC 338912224 OJHFTLSTYNBSTN-SNVBAGLBSA-N 307.306 -0.371 30 20 DBED C=CC[C@@H](CO)CNC(=O)CSCC(=O)N1CCOCC1 342219610 YXFNYBDSZQIQGK-GFCCVEGCSA-N 316.423 -0.121 30 20 DBED COc1ccc(=NC(=O)NCCCc2[nH]nc(N)c2C#N)[nH]n1 346679297 ZCTUUXAHSUJFIQ-UHFFFAOYSA-N 316.325 -0.162 30 20 DBED CN1CC[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C1=O 351608000 LJTZLQDJFCQOER-VIFPVBQESA-N 324.318 -0.025 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)NCCC1(O)CCOCC1 352304037 WJDOFPKCUDMDLG-LLVKDONJSA-N 305.400 -0.014 30 20 DBED C=CCNC(=O)NC(=O)CN1CC[C@@H](NC(=O)NC2CC2)C1 355118893 CDDBTSURKNOOFX-LLVKDONJSA-N 309.370 -0.466 30 20 DBED C=C[C@H](CO)NC(=O)N[C@H]1CC(=O)N(C)[C@H]1c1cnn(C)c1C 359059823 UDHXACWOGYSUAP-OSMZGAPFSA-N 321.381 -0.154 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N1CCN(C[C@H](C)O)CC1 410911004 PVBSSZRBXPDJEJ-ZDUSSCGKSA-N 313.398 -0.828 30 20 DBED C[C@@H](CN)N(C)C(=O)C(=O)NCCOc1ccc(C#N)cc1 419460814 GPAVEGCQYNCJAT-NSHDSACASA-N 304.350 -0.141 30 20 DBED C=CCCn1cc(C(=O)N2CC[C@H](N3CCNCC3)C2)nn1 424180369 VJXQJVFZGXKCCZ-ZDUSSCGKSA-N 304.398 -0.026 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CCC[C@@H](C)[C@@H]2CN)nn1 424551687 WVNGXIIMOHSFRP-YPMHNXCESA-N 320.397 -0.334 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N[C@H]2CCCC[C@H]2CN)nn1 424553050 YSVWDXMKNANCJC-AAEUAGOBSA-N 320.397 -0.286 30 20 DBED COCCN(C)CCN1C[C@H](NC(=O)[C@@]2(C#N)C[C@H]2C)CC1=O 425310363 DUOXYKPGWGQJDQ-XJKCOSOUSA-N 322.409 -0.169 30 20 DBED Cn1c(NCc2ccc(C(N)=O)nc2)c(C#N)c(=O)n(C)c1=O 441799054 IIQJKHJTRHBHHC-UHFFFAOYSA-N 314.305 -0.938 30 20 DBED C#CCN1CCC[C@@H]1COC(=O)C(C)(C)NS(C)(=O)=O 490899343 OLNRWJYVJVREJY-LLVKDONJSA-N 302.396 -0.045 30 20 DBED N#Cc1cc(N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc(N)c1[N+](=O)[O-] 517962641 YONABOFUWSIRNA-PWSUYJOCSA-N 316.321 -0.203 30 20 DBED COC[C@@](C)(C#N)NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 528829360 FUNPTJCRQMACGL-CMPLNLGQSA-N 303.384 -0.297 30 20 DBED CCc1cc(CNS(=O)(=O)N2CCO[C@H](C#N)C2)on1 548832471 ABQFSLIBWALBFZ-LLVKDONJSA-N 300.340 -0.204 30 20 DBED CC[C@H](CC#N)NCC(=O)c1c(O)nc(=O)n(CCOC)c1N 567912156 GZUMUHMKOFKOLI-SECBINFHSA-N 323.353 -0.358 30 20 DBED CN(CCOCC1CC1)C(=O)C(=O)NC1CCN(CC#N)CC1 588125960 UUTWIHHPOGEZRL-UHFFFAOYSA-N 322.409 -0.024 30 20 DBED C=C[C@@H](O)C(=O)N(C)CC(=O)N1CCC[C@H](C(=O)OCC)C1 590433232 RURKXIZDBOFMCY-NWDGAFQWSA-N 312.366 -0.207 30 20 DBED N#C[C@H]1CC[C@@H](NC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)C1 591796961 HALCEDKYCPMNOE-XMPLMDQLSA-N 317.345 -0.043 30 20 DBED COC(=O)[C@@H]1C[C@@H](O)CN(S(=O)(=O)c2ccc(C#N)o2)C1 592110651 BBLBOOBJQIHKFM-RKDXNWHRSA-N 314.319 -0.304 30 20 DBED N#CC[C@]1(O)CCN(C(=O)CNS(=O)(=O)c2cccnc2)C1 592949827 NQNQHRDGIZHQEN-ZDUSSCGKSA-N 324.362 -0.763 30 20 DBED N#Cc1ccc(NCC(=O)NCCCC2=NNC(=O)C2)nc1 597665518 PXUQBJSGQFCBBW-UHFFFAOYSA-N 300.322 0.137 30 20 DBED Cc1c(C#N)c(=O)n(CC(=O)N2C[C@@H](C)O[C@H](C)C2)c(=O)n1C 603359390 OLZWOIOVBIZZKN-NXEZZACHSA-N 320.349 -0.637 30 20 DBED C[C@@H](CN1CCOCC1)NC(=O)NC1CCN(CC#N)CC1 609341007 FTHQHYVYQRCZLP-ZDUSSCGKSA-N 309.414 -0.006 30 20 DBED C#Cc1ccc(C(=O)NCCN2CCS(=O)(=O)CC2)nc1 728861658 RNQJDDXLOOCGOQ-UHFFFAOYSA-N 307.375 -0.477 30 20 DBED C#CCOCCNC(=O)CN1CCN(c2ccccn2)CC1 753225917 FWZGDIUMOMOTSU-UHFFFAOYSA-N 302.378 -0.030 30 20 DBED CS(=O)(=O)N1CCN(CC(=O)OC2(C#N)CCC2)CC1 778668723 VKLHIGRHNQGUBI-UHFFFAOYSA-N 301.368 -0.447 30 20 DBED CC#CCS(=O)(=O)NC(=O)C1CCN(C(=O)N(C)C)CC1 791111805 ZYKZRMWKIACDLN-UHFFFAOYSA-N 315.395 -0.151 30 20 DBED COCCNC(=O)[C@H](C#N)C(=O)CCC(=O)c1cnn(C)c1 796633266 NIYZDSGDAXALEI-LLVKDONJSA-N 306.322 -0.146 30 20 DBED O=C(O)CNC(=O)CON=Cc1cnn(-c2ccccc2)n1 821531835 AUNUFCXWEMYYQC-UHFFFAOYSA-N 303.278 -0.181 30 20 DBED CNC(=O)CNC(=S)NN=Cc1ccc(-c2nn[nH]n2)o1 821634066 QFHWASLMUQPWCZ-UHFFFAOYSA-N 308.327 -0.996 30 20 DBED N#C[C@@H]1CNC[C@@H]1NC(=O)CNC(=O)COc1ccccc1 834516891 NEFIZLZEGNEKGR-YPMHNXCESA-N 302.334 -0.591 30 20 DBED C#CCn1cc(CNC(=O)[C@@H]2CCCCN2S(C)(=O)=O)cn1 834606269 FZDRGQRTIAGIFI-ZDUSSCGKSA-N 324.406 -0.053 30 20 DBED C=CCn1cc(C(=O)NS(=O)(=O)[C@@H](C)C(=O)OC)nn1 842754889 BDGOZNVWEJZRGG-ZETCQYMHSA-N 302.312 -0.915 30 20 DBED CCN(C[C@@H](C)C#N)C(=O)COC(=O)CN1CC(=O)N(C)C1=O 860304255 MFCGJAKTEQTZRV-JTQLQIEISA-N 324.337 -0.568 30 20 DBED C#CC1(O)CN(C(=O)NCc2ccccc2S(C)(=O)=O)C1 895355916 BMNVERVODUTNKK-UHFFFAOYSA-N 308.359 -0.020 30 20 DBED C=CCC[C@H]1NC(=O)N(CCNS(=O)(=O)N(C)C)C1=O 925374702 WNNNPKQENOSPFP-SECBINFHSA-N 304.372 -0.731 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCCN1C(=O)C(N)=O 937465743 DFDYXOGSMRRGAU-TUAOUCFPSA-N 309.366 -0.440 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](NC(=O)c2cccn3nnnc23)C1 938011104 JSYIRHRRCLOUFB-ZJUUUORDSA-N 313.321 -0.385 30 20 DBED COc1ccc(C(=O)N[C@H]2CCN(C(=O)[C@H](C)C#N)C2)nn1 938774080 PGPKRUMUFLTDQK-ZJUUUORDSA-N 303.322 -0.024 30 20 DBED CN1CC[C@H](C(=O)N[C@@H]2CCN(C(=O)C#CC3CC3)C2)C1=O 942223952 BPURMAOSAKIRHM-CHWSQXEVSA-N 303.362 -0.405 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2CCN(C(=O)CC(N)=O)C2)c1 942369092 HJYODNUSSCAIQU-GFCCVEGCSA-N 300.318 -0.731 30 20 DBED CCN(C(=O)c1c[nH]c(C#N)c1)[C@@H]1CCN(C(=O)CC(N)=O)C1 942749923 QEGNWLSOVCNMHW-GFCCVEGCSA-N 317.349 -0.175 30 20 DBED C[C@@H]1CN(C(=O)CC(N)=O)CC[C@H]1NC(=O)c1ccc(C#N)[nH]1 945230362 ZMYJOIHWFLOHRV-MWLCHTKSSA-N 317.349 -0.271 30 20 DBED C=C(Cl)CN1CCN(C(=O)CN2CCNC(=O)C2)CC1 949635561 BRRPMZMXQICIDT-UHFFFAOYSA-N 300.790 -0.685 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@H]3CCN(C(=O)C(N)=O)[C@H]3C2)c1 953313338 JMPMPSGBKPXSER-JQWIXIFHSA-N 315.333 -0.565 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@@H]3CCN(C(=O)C(N)=O)C[C@@H]32)[nH]1 953450427 TUMKUQNJXVRSER-CABZTGNLSA-N 315.333 -0.565 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@]1(C)CCN(C(=O)CC(N)=O)C1 957010684 SRVVXTORYDRUOK-WQGACYEGSA-N 323.393 -0.050 30 20 DBED C=CCN1C[C@@H](O)[C@@H](CNC(=O)c2ccc3nn[nH]c3n2)C1 958120568 ABRHKWFUQKBCJC-JOYOIKCWSA-N 302.338 -0.439 30 20 DBED CC#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cc(OC)n(C)n2)C1 958239300 MWCIGVXZKYUGNY-WCQYABFASA-N 306.366 -0.526 30 20 DBED C#CCCN1C[C@@H](O)[C@H](CNC(=O)c2nnn(CC)c2CC)C1 958403486 GDUKBNIDFYZEFH-TZMCWYRMSA-N 319.409 -0.094 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](CNC(=O)c2ccc(=O)n(C)n2)C1 958648944 DXXGMZCXJOGCIF-DGCLKSJQSA-N 306.366 -0.621 30 20 DBED C=CCCN1C[C@@H](O)[C@@H](CNC(=O)c2cncc(C(N)=O)c2)C1 958693111 DXEKXVFMXSBSII-UONOGXRCSA-N 318.377 -0.221 30 20 DBED C=CCCN1C[C@H](O)[C@H](CNC(=O)c2cccc(C(N)=O)n2)C1 958736025 HUDYJWZCGRIXTF-RISCZKNCSA-N 318.377 -0.221 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cncnc2)C1 958829903 WDCHPXODSJKSHK-DLOVCJGASA-N 303.322 -0.720 30 20 DBED CC#CCN1C[C@@H]2C(NC(=O)CN3C(=O)CC(C)(C)C3=O)[C@H]2C1 959916535 XKGCRPFSFNHFJD-RYUDHWBXSA-N 317.389 -0.159 30 20 DBED N#CCN1C[C@H]2[C@H](NC(=O)c3cn([C@H]4CCOC4)nn3)[C@H]2C1 962221241 HTJCCXPALKGUKV-MEWQQHAOSA-N 302.338 -0.577 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)c1cn(C)cn1 964151909 VHUAKVNIVIMUQM-WDEREUQCSA-N 305.338 -0.463 30 20 DBED C[C@H](C#N)C(=O)N1CCOC2(CN(C(=O)Cc3ncc[nH]3)C2)C1 965466654 OYSIWUFXQSJULR-LLVKDONJSA-N 317.349 -0.448 30 20 DBED Cc1nonc1C(=O)N[C@@H]1COC2(C1)CN(C(=O)[C@H](C)C#N)C2 965739723 LGYYCHNGRYSFJE-SCZZXKLOSA-N 319.321 -0.363 30 20 DBED C[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)c1nnn(C)n1 966408233 OEOGYIKOMGSHOI-GXSJLCMTSA-N 302.338 -0.800 30 20 DBED C#CCCN1CC[C@H](C)[C@@H](NC(=O)Cn2c(O)nnc2O)C1 968592677 OLOLPCPMEWUUCX-QWRGUYRKSA-N 307.354 -0.461 30 20 DBED C#CCN1CC[C@H](C)[C@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)C1 968614810 NTOFPWXZOJWCIK-NWDGAFQWSA-N 320.393 -0.223 30 20 DBED CCOc1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)on1 968959735 RVKCFUKIDRBJTI-AEJSXWLSSA-N 322.321 -0.466 30 20 DBED C#CCCN1CCO[C@]2(CCN(C(=O)[C@H]3CCNC(=O)C3)C2)C1 972340636 ZJUPXWKURCXUSJ-WMLDXEAASA-N 319.405 -0.161 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)c3ccc(C(N)=O)o3)C2)C1 972457401 COZSUSOLXWNMMX-INIZCTEOSA-N 317.345 -0.071 30 20 DBED C=CCN(C)[C@@H]1CCN(C(=O)[C@H]2CCN(C)S2(=O)=O)C1 972527129 OYOMAXOPXYSKEF-VXGBXAGGSA-N 301.412 -0.261 30 20 DBED C#CCN(C)[C@H]1CCN(C(=O)CN2C(=O)NC(=O)C2(C)C)C1 972670687 MIWYCXUKYMNBLK-NSHDSACASA-N 306.366 -0.517 30 20 DBED N#CCN1CCO[C@@]2(CCN(C(=O)CCN3CCCC3=O)C2)C1 972673702 KVUVPLUAYRVHLR-INIZCTEOSA-N 320.393 -0.174 30 20 DBED C#CCN(C)[C@H]1CCN(C(=O)CN2C(=O)NC(C)(C)C2=O)C1 980323525 XAIFDQTXVLTIGD-NSHDSACASA-N 306.366 -0.517 30 20 DBED N#CCN[C@@H]1CCC[C@H](NC(=O)c2nccnc2C(N)=O)C1 981510233 NXMKTMWEUVPABH-ZJUUUORDSA-N 302.338 -0.270 30 20 DBED C#CCN(C)C1CCN(C(=O)CN2CC(=O)N(C)C2=O)CC1 985753279 IXIWSXUSUFMQAY-UHFFFAOYSA-N 306.366 -0.564 30 20 DBED C[C@H]1[C@H](NCC#N)CCN1C(=O)c1ccc(-n2cnnn2)cn1 986604245 XGKBQHCIKYZAKJ-CMPLNLGQSA-N 312.337 -0.227 30 20 DBED C=C(C)CN[C@H]1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)[C@@H]1C 987104764 RYTURCWSCFVFGN-YPMHNXCESA-N 320.393 -0.147 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](NC(=O)C2CS(=O)(=O)C2)[C@H]1C 988211743 GPUUUZPSPHQUHT-KKZNHRDASA-N 313.379 -0.704 30 20 DBED C#CCN1CCCN(C(=O)c2cn(CC(=O)N(C)C)nn2)CC1 989738466 BQNJPVRCIPWHAY-UHFFFAOYSA-N 318.381 -0.853 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](n2ccnn2)[C@H](NC(=O)C2CC2)C1 990786852 XAXPKXVNGAOPHE-JLLWLGSASA-N 302.338 -0.284 30 20 DBED C#CCCN1CC[C@@]2(NC(=O)CN3CC(=O)NC3=O)CCC[C@H]12 992313790 ACVSQFDDKJFESJ-LRDDRELGSA-N 318.377 -0.325 30 20 DBED C#CCN1CC[C@]2(NC(=O)C[C@@H]3CC(=O)NC3=O)CCC[C@@H]12 992543407 GPPGJLNSKHJTGA-HWWQOWPSSA-N 303.362 -0.214 30 20 DBED C#CCN[C@@H]1CCC[C@H]2CN(C(=O)Cn3cnnc3O)C[C@@H]21 992697084 PWGAYPVGYWUDSB-RWMBFGLXSA-N 303.366 -0.166 30 20 DBED O=C(Cn1cc(C2CC2)nn1)NC1CN(C(=O)C#CC2CC2)C1 993926344 ABVZSHCILWLEKD-UHFFFAOYSA-N 313.361 -0.104 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)Cc3n[nH]c(C)n3)C2)cn1 997089850 LTYKPZYJLCXRDY-UHFFFAOYSA-N 324.344 -0.327 30 20 DBED C[C@H](NC(=O)c1cn(CC(N)=O)nn1)C1CCN(CC#N)CC1 997871525 OOJOVWRLCDBIMK-JTQLQIEISA-N 319.369 -0.883 30 20 DBED C[C@H](C#N)C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cnn(C)n1 998379452 VPJFSTOBUCZTCK-SVDPJWKOSA-N 302.338 -0.164 30 20 DBED O=C(C#CC1CC1)N1CCC[C@@H](NCCN2C(=O)CNC2=O)C1 999136406 KYCUMSACMMXZOC-CYBMUJFWSA-N 318.377 -0.468 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)Cc2cc[nH]n2)C1 1000006532 XNYKCVOSIXRWRG-OLZOCXBDSA-N 304.350 -0.130 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CCNC2=O)C1 1000017752 UNUWXAOOQYBVSN-UTUOFQBUSA-N 307.350 -0.959 30 20 DBED C[C@H](NC(=O)c1cnn[nH]1)C1CN(C(=O)c2ccc(C#N)[nH]2)C1 1006398979 KQNDVEYEGHIWGT-QMMMGPOBSA-N 313.321 -0.105 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)C(N)=O)CC2(C)C)cn1 1008391046 IAWCFLOYMDUKMM-GFCCVEGCSA-N 314.345 -0.485 30 20 DBED N#CCN1CCC[C@@H](NC(=O)c2cn([C@H]3CCOC3)nn2)C1 1009127983 DMJGEFOZUNCUNH-NEPJUHHUSA-N 304.354 -0.043 30 20 DBED C[C@H]1C[C@H](C(=O)N2CCN(C(=O)C#CC3CC3)CC2)CC(=O)N1 1011110936 VDJMSORSISIPPG-JSGCOSHPSA-N 317.389 -0.015 30 20 DBED O=C(C#CC1CC1)N1CC2(CCN(C(=O)Cn3cnnn3)C2)C1 1019009268 SCAZJRNFKPIWEX-UHFFFAOYSA-N 314.349 -0.853 30 20 DBED C#CCCN1[C@H]2CC[C@H]1CC(NC(=O)CN1CCNC(=O)C1)C2 1021347711 MRJUQAUTWRVDIF-GJZGRUSLSA-N 318.421 -0.447 30 20 DBED C#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)c2nnc(O)nc2O)C1 1021624839 ZFSMOQORTHYDOE-WDEREUQCSA-N 317.349 -0.158 30 20 DBED C#CCN1CCC(C(=O)N[C@@H]2CN(C(=O)CCC)C[C@H]2O)CC1 1024130022 BQCHBHYFXAAERR-HUUCEWRRSA-N 321.421 -0.180 30 20 DBED CCCc1n[nH]cc1C(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1O 1024530142 SNEWOKBCSQSVKM-ZWKOPEQDSA-N 319.365 -0.177 30 20 DBED O=C(CC1=CCOCC1)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1025492502 VVFWBMFXTWKVHQ-HUUCEWRRSA-N 318.373 -0.176 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)C[C@@H]3CCC(=O)N3)C2)C1=O 1031094233 PZGHWSSVJCTJCK-AAEUAGOBSA-N 320.393 -0.758 30 20 DBED C=CCN1CC[C@H](N2CC(CNC(=O)c3cn(C)cn3)C2)C1=O 1031615485 OHRRMSNHAXHDPV-AWEZNQCLSA-N 317.393 -0.131 30 20 DBED C=CCn1cc(C(=O)N(CC)[C@H]2CCN([C@H](C)C(N)=O)C2)nn1 1033980162 QBQZJDAMZQFNIZ-NEPJUHHUSA-N 320.397 -0.126 30 20 DBED CNC(=O)CN1CCO[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 1035335608 BYFVMCQILBZMQN-GFCCVEGCSA-N 305.338 -0.937 30 20 DBED C#CCCN1CC2(CCN(C(=O)Cn3cnnc3O)CC2)C1 1035690418 PZFFUDJAVMCPJR-UHFFFAOYSA-N 303.366 -0.069 30 20 DBED C#CCN1CC2(CCN(C(=O)C[C@@H]3NC(=O)NC3=O)CC2)C1 1035724781 SEPYHLOYURQPHA-NSHDSACASA-N 304.350 -0.858 30 20 DBED COCCn1nc(C(=O)NC[C@@H]2CCN2CC#N)ccc1=O 1038476782 HWQYYAJVOQNSJV-NSHDSACASA-N 305.338 -0.783 30 20 DBED Cc1c[nH]nc1C(=O)N1CC[C@@](O)(CNC(=O)C#CC2CC2)C1 1039680274 BZEDCVGVKQIXLY-MRXNPFEDSA-N 316.361 -0.175 30 20 DBED Cc1cc(C(=O)N2CC[C@@](O)(CNC(=O)[C@@H](C)C#N)C2)nn1C 1040762771 LEADXQSYCQEWAK-ZUZCIYMTSA-N 319.365 -0.419 30 20 DBED C=C1CC(C)(C(=O)N2CC(O)(CNC(=O)CNC(C)=O)C2)C1 1041209533 ONALWUJXBHUBPV-UHFFFAOYSA-N 309.366 -0.832 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(O)(CNC(=O)c2cc(C)[nH]n2)C1 1041726869 JRXDGNQPAYZYDO-AWEZNQCLSA-N 322.365 -0.652 30 20 DBED C[C@H](OCC1CC1)C(=O)NCC1(O)CN(C(=O)[C@H](C)C#N)C1 1041854621 VJUJRBFAHHECHT-MNOVXSKESA-N 309.366 -0.349 30 20 DBED C[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1NC(=O)Cn1cncn1 1041945891 DYQGXUNFTDVUGH-GHMZBOCLSA-N 312.337 -0.419 30 20 DBED Cc1[nH]nc(C(=O)NCC2(O)CN(C(=O)[C@H](C)C#N)C2)c1C 1042194496 SZWIXQYTFRQKOD-MRVPVSSYSA-N 305.338 -0.511 30 20 DBED CC#CCCCC(=O)N1CC(O)(CNC(=O)c2cncnc2)C1 1042712714 GCYFLKBVKSWLRN-UHFFFAOYSA-N 316.361 -0.027 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)Cc2cncs2)C1 1043476455 WBXFXTBSAQNMQY-SECBINFHSA-N 308.363 -0.465 30 20 DBED CCCc1n[nH]cc1C(=O)NCC1(O)CN(C(=O)[C@@H](C)C#N)C1 1043803168 DGLFVGQBOANNKW-JTQLQIEISA-N 319.365 -0.175 30 20 DBED N#Cc1cncc(N2C[C@H](O)[C@H](NC(=O)c3cscn3)C2)n1 1043869872 UYANJOMVYKROIG-KOLCDFICSA-N 316.346 -0.216 30 20 DBED C#CCOc1ncccc1C(=O)NCC1(O)CN(C(C)=O)C1 1044236530 VARMGAOSPZGPGJ-UHFFFAOYSA-N 303.318 -0.583 30 20 DBED Cc1n[nH]cc1C(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@@H]1O 1044358675 UEVJRRWXBMGZSR-OLZOCXBDSA-N 312.333 -0.036 30 20 DBED Cc1ncncc1C(=O)N1CC(O)(CNC(=O)[C@@H](C)C#N)C1 1045540671 KRGCMJHFKMMFPM-VIFPVBQESA-N 303.322 -0.752 30 20 DBED CCOc1cc(C(=O)N2CC(O)(CNC(=O)[C@@H](C)C#N)C2)on1 1045560130 SUGLBLDEENJUOR-VIFPVBQESA-N 322.321 -0.464 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)c2c[nH]nc2C2CC2)C1 1045660191 AAWNSVVRAFWPPA-VIFPVBQESA-N 317.349 -0.250 30 20 DBED C=CCN1CC[C@@H](N2CCN(C(=O)Cn3ncnn3)CC2)C1 1046030460 RQBZQPFEOYHERT-CYBMUJFWSA-N 305.386 -0.922 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@H]2CCCO2)C1 1046813897 BJGSJCYRDRMOMP-FRRDWIJNSA-N 324.377 -0.554 30 20 DBED CN(C(=O)C(N)=O)[C@H]1CN(Cc2ccc(C#N)cc2)C[C@@H]1O 1047506746 FBMBAAQYJXPGAQ-STQMWFEESA-N 302.334 -0.953 30 20 DBED C=CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCN(C(C)=O)C2)C1 1047612880 QBCYZUFNCNOEPK-KKUMJFAQSA-N 309.410 -0.066 30 20 DBED CN(C(=O)c1noc2c1COCC2)[C@H]1CN(CC#N)C[C@@H]1O 1047634220 ZSRLVRHECYDJCJ-QWRGUYRKSA-N 306.322 -0.612 30 20 DBED CN(C(=O)c1cnn(C)c1C1CC1)[C@H]1CN(CC#N)C[C@@H]1O 1047649050 LSGOVQBOOBSMFO-STQMWFEESA-N 303.366 -0.062 30 20 DBED C=CCCC(=O)N(C)[C@H]1CN(C(=O)CNC(=O)CC)C[C@@H]1O 1048510924 XEGLDLNMQJCPPK-RYUDHWBXSA-N 311.382 -0.491 30 20 DBED Cn1[nH]c(CN2C[C@H]3CN(C(=O)C#CC4CC4)C[C@H]3C2)nc1=O 1048810009 DRPNZVCRMATKQX-BETUJISGSA-N 315.377 -0.588 30 20 DBED C#CCCN1C[C@H]2CN(C(=O)[C@H](C)N3C(=O)CCC3=O)C[C@H]2C1 1048847502 GOEOHRDQSXHEMQ-MELADBBJSA-N 317.389 -0.063 30 20 DBED N#CCN1C[C@H]2CN(C(=O)C3CC4(C3)CS(=O)(=O)C4)C[C@H]2C1 1048891014 IITLPVBUQGBCBM-BETUJISGSA-N 323.418 -0.275 30 20 DBED C=CCCN1C[C@H]2CN(C(=O)Cn3nc(C)n(C)c3=O)C[C@H]2C1 1049197654 MKUJRJPUGXIYST-OKILXGFUSA-N 319.409 -0.143 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)[C@@H]1CCN(C(=O)C(F)F)C1 1049656990 NRTSFHCOLNLXJI-NXEZZACHSA-N 315.320 -0.256 30 20 DBED C=CCN1CC[C@@H](NC[C@H]2CN(C(=O)COC)CCO2)C1=O 1051376232 NYFUSNSRUVKCFW-QWHCGFSZSA-N 311.382 -0.763 30 20 DBED C=CCN1CCN([C@H]2CCN(C(=O)[C@H]3CCCNC3=O)C2)CC1 1052037529 NFKZIWRCLSQULE-GJZGRUSLSA-N 320.437 -0.083 30 20 DBED C=CCCN1CC2(C1)CN(C(=O)CN1C(=O)CCC1=O)CCO2 1053528644 MIXXQFWBHAGPRP-UHFFFAOYSA-N 321.377 -0.375 30 20 DBED N#Cc1ccc(C(=O)NC[C@@H]2CCC3(CN(CCO)C3)O2)[nH]1 1053590135 AVJMOCHDYVCAFW-LBPRGKRZSA-N 304.350 -0.158 30 20 DBED C=CCCN1CC2(CC[C@H](CNC(=O)[C@H]3CN(C)C(=O)N3)O2)C1 1053643182 XFDFYHICUAOHGK-CHWSQXEVSA-N 322.409 -0.064 30 20 DBED CCc1cnc(CC(=O)N[C@H]2COC3(C2)CN(CC#N)C3)[nH]1 1053836709 PCOWIBFCZKILGI-GFCCVEGCSA-N 303.366 -0.002 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)[C@H]3CCN(C)C(=O)C3)CO2)C1 1053849374 IUJNPBPQTABMON-UONOGXRCSA-N 319.405 -0.162 30 20 DBED Cc1cc(C)n(CC(=O)N[C@@H]2COC3(C2)CN(CC#N)C3)n1 1053863358 LJIGFJSMOXKUFK-ZDUSSCGKSA-N 303.366 -0.017 30 20 DBED C=CCn1cc(C(=O)N[C@H]2COC3(C2)CN(C[C@@H](C)O)C3)nn1 1053949391 GDTPOWGFVLBYEH-VXGBXAGGSA-N 321.381 -0.582 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)c3ccc(C(N)=O)s3)CO2)C1 1053954871 UUVVMCUQXOYZTR-VIFPVBQESA-N 320.374 -0.056 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NCC(=O)N1CCOCC1 1054637075 LTKMHHFWZDPYIE-UKRRQHHQSA-N 319.405 -0.305 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H]1CC[C@H](CNC(=O)C(N)=O)CC1 1054899339 IZQUTCRGPFKJTQ-JHJVBQTASA-N 323.393 -0.451 30 20 DBED COC(=O)NCC(=O)N1C[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2C1 1055203749 QFTRXNOJNIDXAK-MXWKQRLJSA-N 308.338 -0.581 30 20 DBED C[C@@H](C#N)C(=O)N[C@@]1(CO)CCCN(C(=O)c2ccncn2)C1 1056096229 GRLRCEFRVVPWOE-NHYWBVRUSA-N 317.349 -0.280 30 20 DBED Cn1ccc(CC(=O)NC2[C@@H]3CN(c4cncc(C#N)n4)C[C@@H]23)n1 1056203246 MLTRBFKIEPBKOJ-CHWSQXEVSA-N 323.360 -0.125 30 20 DBED C=CCCCC(=O)NCCN(CCO)C(=O)c1nccnc1N 1057233965 JZDAPTRYWXWGAK-UHFFFAOYSA-N 321.381 -0.034 30 20 DBED Cc1cc(C#N)nc(N2CC[C@@H](NC(=O)c3cn(C)nn3)C2)n1 1058347344 RLOSLPICOROGLE-SNVBAGLBSA-N 312.337 -0.206 30 20 DBED N#CCSCC(=O)NCCN(CCO)C(=O)CCCF 1058393869 OTOTVADNUIUCAE-UHFFFAOYSA-N 305.375 -0.070 30 20 DBED C=CCCCC(=O)N(CCO)CCNC(=O)CCCC(N)=O 1058626436 JAUFAKYHXHSHPV-UHFFFAOYSA-N 313.398 -0.065 30 20 DBED Cc1nccn1CC(=O)NCCN(CCO)C(=O)[C@H](C)C#N 1058658636 HWNFFGTUYQVPCJ-LLVKDONJSA-N 307.354 -0.712 30 20 DBED C#CCOCCC(=O)NCCN(CCO)C(=O)[C@@H]1CC12CC2 1058943049 KLBXBFMZYALTQT-ZDUSSCGKSA-N 308.378 -0.237 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)CN2CCCC2=O)CCC1 1062502388 YTWQPPMNGQCLKN-LLVKDONJSA-N 306.366 -0.076 30 20 DBED C#CCO[C@H](C)C(=O)NC1(CNC(=O)[C@@H]2COCCO2)CCC1 1062594514 ZOULVIVLZKLMTO-OLZOCXBDSA-N 324.377 -0.405 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(NC(=O)CC(=O)NC)CCC1 1062869491 DCMBNUFGUUZTMB-AWEZNQCLSA-N 311.382 -0.395 30 20 DBED CN(C(=O)c1cn(C)nn1)[C@H]1CCN(c2nccnc2C#N)C1 1062924452 IOQNWWNNHJBABE-JTQLQIEISA-N 312.337 -0.172 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(NC(=O)[C@H](C)NC(N)=O)CCC1 1063041862 GQSNJUZNTBPHHZ-WDEREUQCSA-N 324.381 -0.763 30 20 DBED N#Cc1nccc(N2CCO[C@H](CNC(=O)[C@@H]3CCOC3)C2)n1 1063619303 RSQCOHTUGXGENM-VXGBXAGGSA-N 317.349 -0.294 30 20 DBED CC[C@@H]1CN(C(=O)CC(N)=O)CC[C@H]1N=c1cc[nH]c(C#N)n1 1064384309 IPOVTBJHVLJPRH-GHMZBOCLSA-N 316.365 -0.315 30 20 DBED N#Cc1nccc(N2CC[C@H]3CCN(C(=O)C(N)=O)C[C@@H]32)n1 1064699385 UFORZZVWHRLEBS-ZJUUUORDSA-N 300.322 -0.739 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)[C@H]2CCNC(=O)C2)CCO1 1065041298 UXYBKQZVZCCRHC-QWHCGFSZSA-N 323.393 -0.178 30 20 DBED Cc1nn[nH]c1C(=O)N1CCO[C@@H](CNC(=O)C#CC(C)C)C1 1065415491 LASJHOWMUUKHFX-LBPRGKRZSA-N 319.365 -0.270 30 20 DBED C#CCOCCC(=O)N(C)CCCN(C)C(=O)[C@H]1CNC(=O)N1 1067426936 CFOYSSFOKDBAFP-GFCCVEGCSA-N 324.381 -0.985 30 20 DBED C=CCOCC(=O)N1CCOC2(C1)CN(C(=O)[C@H]1CCOC1)C2 1068355271 KNDFYYMGXATFNZ-ZDUSSCGKSA-N 324.377 -0.335 30 20 DBED CC(=O)N(C)CC(=O)N[C@H]1COC2(C1)CN(C(=O)[C@H](C)C#N)C2 1068710272 AUFSCBWIRMGRCZ-ZYHUDNBSSA-N 322.365 -0.890 30 20 DBED C=CCOCC(=O)N1CC2(C[C@H](NC(=O)c3ccon3)CO2)C1 1068722805 TXXUVPGANUXEFY-NSHDSACASA-N 321.333 -0.023 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCC[C@]2(CCN(C(=O)C(N)=O)C2)C1 1069742408 CMRYXGAMTLLJES-CVEARBPZSA-N 323.393 -0.360 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@@H](NC(=O)c2ccc[nH]2)C1 1070635984 DOGOMALGKKESST-GFCCVEGCSA-N 316.361 -0.125 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CCCN(C(=O)c2cn(C)nn2)C1 1070686449 QPAYKXZTKXQFHE-IAQYHMDHSA-N 321.381 -0.137 30 20 DBED C[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@@]2(CCN(CC#N)C2)O1 1071197140 NWSNHZDKZUIQQS-MFKMUULPSA-N 305.342 -0.961 30 20 DBED C[C@H]1CN(C(=O)CSCC#N)C[C@@H]1NC(=O)c1nc[nH]n1 1071661765 OBHMJNZVOLZTED-IUCAKERBSA-N 308.367 -0.362 30 20 DBED C=CCOCC(=O)N1C[C@H](C)[C@@H](NC(=O)CCCC(N)=O)C1 1071805489 OTEHTLCWTSRGFE-RYUDHWBXSA-N 311.382 -0.192 30 20 DBED C[C@@H](C#N)C(=O)NC1(C)CCN(C(=O)C2(NC(N)=O)CC2)CC1 1072959521 YMMRAPAMQPHPBT-JTQLQIEISA-N 321.381 -0.156 30 20 DBED CC#CCN1CCC2(C1)CN(C(=O)C[C@H]1CC(=O)NC1=O)C2 1073497089 ADGVSXYTCCDODG-GFCCVEGCSA-N 303.362 -0.403 30 20 DBED C=CCN1CCCO[C@@H](CNC(=O)[C@@H]2CCCN2C(N)=O)C1 1073911053 FZCWPRVUGUZTTH-STQMWFEESA-N 310.398 -0.077 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)[C@H](C)OCC#C 1076217983 QSSCSAYPNLLJDK-STQMWFEESA-N 321.377 -0.825 30 20 DBED C#CCO[C@@H](C)C(=O)NCC[C@H](C)NC(=O)c1ccc(O)nn1 1076509019 LXLMUSYFDPRKDV-QWRGUYRKSA-N 320.349 -0.155 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2ccc3oc(O)nc3n2)C1 1077998044 CWMXLZXFFFBIAE-NXEZZACHSA-N 302.290 -0.664 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2ccnc(-n3ccnc3)c2)C1 1078194294 BZOVYTDKVAEPSW-ZIAGYGMSSA-N 311.345 -0.325 30 20 DBED C[C@@H]1CN(Cc2nnnn2C)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 1079588898 OVCXGQWGNSIMPY-BXKDBHETSA-N 314.353 -0.340 30 20 DBED COCC(=O)NC[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1O 1081179599 ZXOMDDLECIXINK-PWSUYJOCSA-N 306.322 -0.918 30 20 DBED O=C(Cc1ccon1)NC[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 1081365089 KVEHAKJJENCMPL-OCCSQVGLSA-N 317.345 -0.434 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)c2cnn(C)n2)C[C@@H]1O 1081441578 JOYXADFXIOTTKY-AAEUAGOBSA-N 319.365 -0.832 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(C(=O)C2=CCOCC2)C[C@@H]1O 1081471547 PDEHUCIODTYQCS-CABCVRRESA-N 318.373 -0.318 30 20 DBED C#CCCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2ccnnc2)C1 1081797880 RXLPZVLUSUBFNR-ZIAGYGMSSA-N 316.361 -0.171 30 20 DBED C=CCN1C[C@@H](NC(=O)[C@@H]2CN3CC4CC3(CO2)C4)[C@H](OC)C1 1081959498 KVLKRJLKOLNJLD-QJNCVLDKSA-N 321.421 -0.149 30 20 DBED C=CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CCN(C)C1=O 1083168239 PVIZHVQOIFSGAV-HZSPNIEDSA-N 307.394 -0.048 30 20 DBED COCCn1cc(C(=O)N[C@@H]2CN(CC#N)C[C@@H]2O)c(C)n1 1083458464 PJSKQAFGTAMWMU-OLZOCXBDSA-N 307.354 -0.864 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)c2cnc3[nH]nnc3c2)C1 1083529348 LJBPCYHYFNJOBG-NEPJUHHUSA-N 302.338 -0.296 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN([C@H]3CCNC3=O)C[C@@H]2O)cc1 1083690734 IQAFCNAMMKXTCX-ILXRZTDVSA-N 313.357 -0.669 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)c2ccc(C(N)=O)cc2)C1 1084048443 VUOOGKFMZXSFDD-KGLIPLIRSA-N 301.346 -0.416 30 20 DBED C=CCN1CC[C@@H]2CN(C(=O)CC[C@@H]3NC(=O)NC3=O)[C@@H]2C1 1084819476 DAZREEHMAPFCIT-GRYCIOLGSA-N 306.366 -0.307 30 20 DBED N#CCN1C[C@H]2CC[C@H]1[C@H]1CN(C(=O)C3CS(=O)(=O)C3)C[C@H]21 1087359493 XRWNRALVFPWSNF-ZZVYKPCYSA-N 323.418 -0.277 30 20 DBED C=CCN1CC[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)[C@H]1CC 1087593033 LGYPXCGRLBXQHI-QWHCGFSZSA-N 320.393 -0.298 30 20 DBED CC#CCN1CC[C@H](NC(=O)CN2CCN(C)C(=O)C2)[C@H]1CC 1087630183 XSKXBBMLNIMOPL-LSDHHAIUSA-N 320.437 -0.247 30 20 DBED CCO[C@@H](CC)C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1O 1090377744 JXZVIHUHLJDBLK-UPJWGTAASA-N 319.365 -0.171 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2ccnc3[nH]nnc23)[C@@H](O)C1 1090426858 YETFETCGWPDIGD-NEPJUHHUSA-N 314.349 -0.459 30 20 DBED C=CCCN1CC[C@@H](NC(=O)Cn2nnnc2C(C)C)[C@H](O)C1 1090635095 ZIVIMTLTQPGACI-CHWSQXEVSA-N 322.413 -0.076 30 20 DBED C#CCCN1CC[C@H](NC(=O)Cn2nc(C)ccc2=O)[C@@H](O)C1 1090745539 BJAJZCOVBNMYKJ-KBPBESRZSA-N 318.377 -0.874 30 20 DBED N#Cc1nccnc1N1C[C@H](O)[C@H](NC(=O)CC(F)(F)F)C1 1091078499 VGGZCSJKPPSROF-BDAKNGLRSA-N 315.255 -0.034 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1CN(c2nccn3nnnc23)C[C@@H]1O 1091168133 CYRLESMKDXKQRO-ZJUUUORDSA-N 317.353 -0.603 30 20 DBED CNC(=O)CC(=O)N[C@H]1CCN(c2nc(C)cc(C#N)n2)[C@@H]1C 1091959464 PLKODKZSEACFJP-PWSUYJOCSA-N 316.365 -0.124 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CCN(c2ccc(C#N)nc2)C[C@H]1O 1092147980 LRRPZHMKQPITCI-CHWSQXEVSA-N 317.349 -0.855 30 20 DBED Cc1nc(N2CCN(C(=O)CNC(N)=O)CC2)ccc1C#N 1093132517 CPSTZOXPWZMYHM-UHFFFAOYSA-N 302.338 -0.421 30 20 DBED N#Cc1ccc(N2C[C@@H]3C(NC(=O)CNC(N)=O)[C@H]3C2)cn1 1093211885 WCAWKPVTHDRRRE-QWRGUYRKSA-N 300.322 -0.828 30 20 DBED C#CCN1CC(OC2CCN(C(=O)CCn3cncn3)CC2)C1 1093508003 GSBIICWLGWJRQN-UHFFFAOYSA-N 317.393 -0.007 30 20 DBED CC(C)(C(=O)NCCNc1cnc(C#N)cn1)N1CCOCC1 1093733708 VJSUMJZPNVYMJI-UHFFFAOYSA-N 318.381 -0.013 30 20 DBED CN1C(=O)CCC[C@H]1C(=O)NCCNc1ccc(C#N)nn1 1093786201 SOEHKOUCHSFHMV-NSHDSACASA-N 302.338 -0.113 30 20 DBED CO[C@@H](C(=O)NCCN=c1cc[nH]cc1C#N)[C@@H]1CCOC1 1094011295 DKCMLFRGEHWZJM-BXUZGUMPSA-N 304.350 -0.045 30 20 DBED COCC(=O)NCCC(=O)NCCCNc1ccc(C#N)nn1 1094846824 IGLPGNXOGHBDCE-UHFFFAOYSA-N 320.353 -0.581 30 20 DBED CN(CCCNC(=O)Cn1cnnn1)c1ncccc1C#N 1095485128 DPNNFYFEDRLBAR-UHFFFAOYSA-N 300.326 -0.418 30 20 DBED CCS(=O)(=O)CC(=O)N[C@@H]1CCN(c2ccnc(C#N)n2)C1 1096390234 UUHZUGAGLVITER-SNVBAGLBSA-N 323.378 -0.522 30 20 DBED C#CCCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H]1CCS(=O)(=O)N1 1096566425 XVKOVDNGVBVRPX-NDBYEHHHSA-N 311.407 -0.577 30 20 DBED C[C@H](CC(N)=O)C(=O)N1CC[C@H](Nc2cnc(C#N)cn2)C1 1096973068 HFYCVVOSURZHER-ZJUUUORDSA-N 302.338 -0.127 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCNC(=O)C1)Nc1nccnc1C#N 1097774469 RHARKAARNYZJCH-UWVGGRQHSA-N 302.338 -0.209 30 20 DBED C[C@H](CNC(=O)COC[C@@H]1CCOC1)N=c1cc[nH]c(C#N)n1 1098045032 ULKOIKWNFOTJPK-VXGBXAGGSA-N 319.365 -0.260 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)C2CC=CC2)[C@H](O)C1 1099743425 JGYGFNMXKUYLEB-ZIAGYGMSSA-N 307.394 -0.194 30 20 DBED CC(C)CNC(=O)CN1CC[C@H](NC(=O)C#CC2CC2)[C@H](O)C1 1099826491 LRVSJKUUPAXFSQ-LSDHHAIUSA-N 321.421 -0.277 30 20 DBED CC(C)C(C)(C)C(=O)N[C@@H]1CCN(CC(=O)NCC#N)C[C@@H]1O 1099853259 MZGFPHCXUZVXNA-OLZOCXBDSA-N 324.425 -0.140 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)Cc2cncn2C)[C@@H](O)C1 1100074971 WIZJWRPNQKWYFI-CABCVRRESA-N 320.393 -0.836 30 20 DBED CCN(CC)C(=O)CCC(=O)N[C@@H]1CCN(CC#N)C[C@@H]1O 1100121461 AJCUKKBYDHAXPD-OLZOCXBDSA-N 310.398 -0.290 30 20 DBED C=CCCOCC(=O)N[C@H]1CCN(CCOCCO)C[C@@H]1O 1100139781 WOGRPDDUKJUDMC-KBPBESRZSA-N 316.398 -0.861 30 20 DBED CN(CC(=O)NCCN(C)c1ccc(C#N)nn1)C(=O)C1CC1 1100374869 IJHDDNAJQBQBLI-UHFFFAOYSA-N 316.365 -0.231 30 20 DBED CCN(CCNC(=O)C1(C(=O)NC)CC1)c1cnc(C#N)cn1 1100566439 RDWUIJPZISHZSG-UHFFFAOYSA-N 316.365 -0.183 30 20 DBED COC[C@H](OC)C(=O)NC[C@H]1CCN(c2ccc(C#N)nn2)C1 1101049780 BFKPBBKVQLXAPQ-YPMHNXCESA-N 319.365 -0.048 30 20 DBED C=CCN1CC2(C[C@H](NC(=O)CNC(=O)OC)c3nccn32)C1 1101608832 MNYBNDHSJRDWLJ-NSHDSACASA-N 319.365 -0.003 30 20 DBED CN(CCNc1nccnc1C#N)C(=O)C(=O)NCC(F)F 1101852891 NVUHRQODIBYUMM-UHFFFAOYSA-N 312.280 -0.400 30 20 DBED CNC(=O)NCC(=O)N1CCC[C@@H]1CNc1cncc(C#N)n1 1103824393 CVCBEWBZDRZMKI-LLVKDONJSA-N 317.353 -0.320 30 20 DBED C[C@@H](CNc1nccnc1C#N)N(C)C(=O)[C@@H]1CCNC1=O 1104763492 HPRBMNFBUSZTCP-VHSXEESVSA-N 302.338 -0.257 30 20 DBED CC(C)[C@@H](CNC(=O)[C@H]1CNC(=O)N1)Nc1nccnc1C#N 1105277989 QZTAKKVZBHTRQB-GHMZBOCLSA-N 317.353 -0.418 30 20 DBED Cc1cc(C#N)nc(NC[C@H](O)CNC(=O)c2cnsn2)n1 1105723230 KQGJKDHGGOPORV-SECBINFHSA-N 319.350 -0.289 30 20 DBED N#Cc1nc(=NC[C@H](O)CNC(=O)c2cncs2)cc[nH]1 1105732326 NPURRFLUAUPCLF-QMMMGPOBSA-N 304.335 -0.571 30 20 DBED CCNC(=O)CCC(=O)NC[C@@H](O)CNc1ccc(C#N)cn1 1105746063 BHKGMERYIPYXDJ-LBPRGKRZSA-N 319.365 -0.241 30 20 DBED N#Cc1nccnc1NC[C@H](O)CNC(=O)Cc1cncnc1 1105805546 CQNQKOPYRFONSZ-LLVKDONJSA-N 313.321 -0.730 30 20 DBED Cn1cc(C(=O)NC[C@H](O)CNc2ccc(C#N)nc2)nn1 1105815016 CTNOKRBZWCLQBK-LLVKDONJSA-N 301.310 -0.715 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)C[C@@H]2COC(=O)C2)nn1 1105819912 NUQSPAINQYISJJ-GXSJLCMTSA-N 319.321 -0.810 30 20 DBED Cc1nc[nH]c1CC(=O)NC[C@@H](O)CNc1ccc(C#N)nn1 1105920832 PMNIABUCXDGSPA-NSHDSACASA-N 315.337 -0.489 30 20 DBED Cc1cnoc1C(=O)NC[C@@H](O)CNc1ccc(C#N)nn1 1105938944 HCDZZKJCOBZHLY-JTQLQIEISA-N 302.294 -0.153 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)CO[C@@H]2CCOC2)nn1 1105972171 DJPYVATXHUSQHL-NWDGAFQWSA-N 321.337 -0.957 30 20 DBED Cc1nc(O)[nH]c1C(=O)NC[C@@H](O)CNc1ccc(C#N)nc1 1106001148 QDXPESJNRXEDGE-NSHDSACASA-N 316.321 -0.107 30 20 DBED CN1C(=O)CC[C@@H]1C(=O)NC[C@H](O)CNc1ccc(C#N)cn1 1106069925 FCRUEMINZCBRSR-VXGBXAGGSA-N 317.349 -0.537 30 20 DBED N#Cc1nc(=NC[C@@H](O)CNC(=O)[C@@H]2Cc3ccccc32)cc[nH]1 1106090760 BILMXRQZDGRKFO-TZMCWYRMSA-N 323.356 -0.001 30 20 DBED C#Cc1cncc(C(=O)NC[C@H](O)CN=c2cc[nH]c(C#N)n2)c1 1106100582 SMINPVAUEBNCBK-CYBMUJFWSA-N 322.328 -0.651 30 20 DBED CC(=O)NC(C)(C)C(=O)NCc1cn(C2CN(CC#N)C2)nn1 1107221202 MECQSBLDFCKBRI-UHFFFAOYSA-N 319.369 -0.811 30 20 DBED C=CCCCN1CCO[C@](C)(CNC(=O)Cn2cnnn2)C1 1107727989 NCEKSYVSWQSLCC-CQSZACIVSA-N 308.386 -0.154 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@]1(C)CN(CCO)CCO1 1108003483 IHHXWDNXPRZWIE-GOEBONIOSA-N 309.410 -0.717 30 20 DBED C[C@@H](CNc1cncc(C#N)n1)NC(=O)c1cc(=O)n(C)o1 1108335696 IVRAJVGPUNTZSW-QMMMGPOBSA-N 302.294 -0.130 30 20 DBED C[C@@H](CC(=O)N[C@@H](C)CNc1cncc(C#N)n1)NC(N)=O 1108528648 PBNPMUWRDOEDMO-IUCAKERBSA-N 305.342 -0.288 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)CC1CS(=O)(=O)C1 1108596036 DNZPPQCRENRQOC-VIFPVBQESA-N 323.378 -0.879 30 20 DBED C[C@H](CN(C)c1ccc(C#N)cn1)NC(=O)Cn1cnnn1 1108850926 SUZWQEBVFOHUDU-SNVBAGLBSA-N 300.326 -0.419 30 20 DBED COCCOCC(=O)N[C@H]1[C@H]2C[C@H]1N(c1ccc(C#N)nn1)C2 1109695297 SMSZSZNEZRTVGP-NVBFEUDRSA-N 317.349 -0.295 30 20 DBED N#Cc1cnc(NC[C@@H](NC(=O)[C@H]2COC(=O)N2)C2CC2)cn1 1109832199 BBFMGCBKCBRXFG-GHMZBOCLSA-N 316.321 -0.237 30 20 DBED N#Cc1cnc(NC[C@@H](NC(=O)Cn2cncn2)C2CC2)cn1 1109848530 KJGDBJCJRYTYKV-GFCCVEGCSA-N 312.337 -0.053 30 20 DBED CNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C#CC1CC1 1110539596 ZSEJZSWCAAEOQP-UPJWGTAASA-N 318.377 -0.423 30 20 DBED CCNC(=O)CC(=O)N[C@]1(C)CCN(c2cnc(C#N)cn2)C1 1110744069 SXQHTUVUDRUPJT-OAHLLOKOSA-N 316.365 -0.041 30 20 DBED CC(=O)NCC(=O)NC[C@@]1(O)CCN(c2ccncc2C#N)C1 1111037591 GOVPVLWHTYBIKR-HNNXBMFYSA-N 317.349 -0.853 30 20 DBED CNC(=O)CC(=O)N1C[C@H](CNc2ccc(C#N)nn2)[C@@H](C)C1 1111243945 REUKRLVCEVTPJX-QWRGUYRKSA-N 316.365 -0.009 30 20 DBED CN1CCC[C@H]1C(=O)N(CCO)CCNc1ccc(C#N)nn1 1111429667 VOKGBILFALEWDS-ZDUSSCGKSA-N 318.381 -0.325 30 20 DBED Cn1nncc1C(=O)N(CCO)CCNc1cncc(C#N)n1 1111460189 RLKISPYPZNTZEB-UHFFFAOYSA-N 316.325 -0.977 30 20 DBED CCOCC(=O)NC[C@@H]1COCCN1c1cncc(C#N)n1 1111651919 ZIXULVUKUNNOPR-GFCCVEGCSA-N 305.338 -0.294 30 20 DBED CN(CCCN(C)c1ccc(C#N)nn1)C(=O)C1(C(N)=O)CC1 1112175717 SNWYAVOVWVPYMW-UHFFFAOYSA-N 316.365 -0.102 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CCN(c2nccnc2C#N)[C@H](C)C1 1112467563 PKTLKCIZCNVAJJ-ZYHUDNBSSA-N 316.365 -0.042 30 20 DBED COCCC(=O)NC[C@H]1CN(c2ccc(C#N)nn2)C[C@H]1O 1112688988 HRIBYGYUIWHMLN-CMPLNLGQSA-N 305.338 -0.702 30 20 DBED CCCC(=O)NCC(=O)N[C@@H](C)[C@H](C)N=c1cc[nH]c(C#N)n1 1112920280 CPAARUNOBRPRIQ-QWRGUYRKSA-N 318.381 -0.008 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)C[C@H]2C[C@H]3CC[C@H]2O3)CC1 1112960687 PEVCGLAWEDEOKT-MGPQQGTHSA-N 320.393 -0.272 30 20 DBED CCc1nc(C(=O)N2CCN(CC(=O)NCC#N)CC2)c(C)o1 1113419703 AQQLQKKYXSWCFD-UHFFFAOYSA-N 319.365 -0.057 30 20 DBED COCC#CCN1CCN(C(=O)C2CCN(C(N)=O)CC2)CC1 1113618213 SCTWYXGKENXJGW-UHFFFAOYSA-N 322.409 -0.429 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)c3ccc[nH]3)[C@H]2C1 1113854306 FTYSKNOQOYDCHE-SRVKXCTJSA-N 300.362 -0.187 30 20 DBED C=CCOCCN1C[C@@H]2C(NC(=O)CCn3cncn3)[C@H]2C1 1113878407 JZDABWHACDZKMI-STQMWFEESA-N 305.382 -0.083 30 20 DBED Cc1nc(CN2C[C@H]3C(NC(=O)CSCC#N)[C@@H]3C2)n[nH]1 1113896361 AGVPUJCHNDTYKA-NXEZZACHSA-N 306.395 -0.084 30 20 DBED N#CCNC(=O)CN1C[C@H]2C(NC(=O)c3cscn3)[C@@H]2C1 1114038150 NBEZKQWRPZQKIB-RKDXNWHRSA-N 305.363 -0.557 30 20 DBED C#CCCN1C[C@@H]2C(NC(=O)CNC(=O)c3ccncc3)[C@H]2C1 1114312986 BBDRQKGQXRBFGU-KBPBESRZSA-N 312.373 -0.119 30 20 DBED COCC#CCN1C[C@@H]2C(NC(=O)c3cc(=O)n(C)cn3)[C@H]2C1 1114422455 BTUAXYRRICCMOB-RYUDHWBXSA-N 316.361 -0.910 30 20 DBED C[C@@H](CN(C)C(=O)c1ccc(O)nn1)N=c1cc[nH]c(C#N)n1 1115640169 QQSMJKVHTCCTSX-VIFPVBQESA-N 313.321 -0.162 30 20 DBED C#CCNC(=O)CC(=O)N(C)C[C@@H](C)Nc1ccc(C#N)nn1 1115685854 PWGSPHTZRHKGJL-LLVKDONJSA-N 314.349 -0.253 30 20 DBED CNC(=O)NCCC(=O)N(C)C[C@@H](C)Nc1nccnc1C#N 1115704213 HHQYLVUFDWHBSS-SNVBAGLBSA-N 319.369 -0.074 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCN(C3CC3)C2)CCO1 1117046095 LBSAGERMYFXGOZ-DGCLKSJQSA-N 306.366 -0.662 30 20 DBED C#CCCCNC(=O)C(=O)N(CC)[C@H]1CCS(=O)(=O)C1 1117425936 FORCNXLPKYYORF-NSHDSACASA-N 300.380 -0.448 30 20 DBED CCn1nccc1C(=O)NC[C@@H](CO)N=c1cc[nH]cc1C#N 1121376535 IIFDHNVNDKDVTB-LBPRGKRZSA-N 314.349 -0.206 30 20 DBED C[C@H](C(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1)n1cccc1 1121453805 DZWYLCPFMIENAC-NEPJUHHUSA-N 314.349 -0.278 30 20 DBED CNC(=O)CCCC(=O)NC[C@H](CO)Nc1ncccc1C#N 1121463850 ICFFAYADJCXNHU-GFCCVEGCSA-N 319.365 -0.241 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)CCCC(N)=O)cn1 1121711236 MADDYASCAMQNMU-LBPRGKRZSA-N 305.338 -0.502 30 20 DBED C#CCCNC1CC2(C1)CC(NC(=O)[C@@H]1CC(=O)NC(=O)N1)C2 1121835188 IFOJGSTYDKXRKP-VDOARHDCSA-N 318.377 -0.375 30 20 DBED CC#CCNC1CC2(C1)CC(NC(=O)CS(=O)(=O)NC)C2 1122202975 OYWHMJJCOJGDFE-UHFFFAOYSA-N 313.423 -0.424 30 20 DBED N#Cc1cncc(N[C@@H](CO)CNC(=O)CCn2ccnc2)n1 1122377985 DNWQBKGWWLZHFN-GFCCVEGCSA-N 315.337 -0.476 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)[C@@]23COC[C@@H]2C3)nn1 1122761102 NTILGLVTDZEUHJ-PXWWUCIGSA-N 303.322 -0.726 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]cc1C#N)C(=O)[C@@H]1CCCN1C 1124206962 HSBGKHNXLWVQKM-ZFWWWQNUSA-N 317.393 -0.299 30 20 DBED C#CCOCCC(=O)N(C)C[C@@H](O)CNc1ccc(C#N)nn1 1124519641 NQZDNFJLIKZAIN-ZDUSSCGKSA-N 317.349 -0.381 30 20 DBED CN(C[C@H](O)CN(C)c1ncc(C#N)cc1F)C(=O)CC(N)=O 1125023551 DESQVTPJFLYFPC-JTQLQIEISA-N 323.328 -0.777 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)C[C@@H]1CCOC1 1125118661 MSNDDHSEDSUIHF-ZDUSSCGKSA-N 310.398 -0.119 30 20 DBED C[C@@H](C#N)C(=O)NCc1cnn2c1CN([C@@H]1CCNC1=O)CC2 1128265062 SINUPPLBIHLXDP-CMPLNLGQSA-N 316.365 -0.637 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CCCN1CCC 1128787308 ZFBQHJZVPSESDC-KGLIPLIRSA-N 308.426 -0.296 30 20 DBED C#CCNC[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](C)C#N)n1 1130202602 FJAAWZKMMWWSQO-WOPDTQHZSA-N 316.365 -0.324 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1cnc2ccccn12 1130594209 VVNWQNWWIKMUIP-UHFFFAOYSA-N 301.350 -0.044 30 20 DBED C=CCC(C)(C)C(=O)N1CCC(=O)NCCN(CC(N)=O)CC1 1131386065 TXEXYPKTIWOKPN-UHFFFAOYSA-N 324.425 -0.276 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)[C@H]1CCNC(=O)CC1 1131848729 YSQSWXCJUIGCOI-NWDGAFQWSA-N 310.398 -0.701 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1occ2c1CCOC2 1131860798 WCLDRGRMENBHHH-LLVKDONJSA-N 319.361 -0.190 30 20 DBED C[C@@H](C[C@H](C)NC(=O)c1cncnc1)NCC(=O)NCC#N 1134153272 XDQXBFFEZUXFES-QWRGUYRKSA-N 304.354 -0.397 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1cnc2cccnn12 1134938833 ILUPBSKAZWSAJH-NSHDSACASA-N 314.349 -0.813 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)CNC(=O)CCC(C)C 1135403056 DAMNEUIDRBFMRR-CYBMUJFWSA-N 324.425 -0.618 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)c1[nH]cnc1C 1146815070 TWKWYGARIMOURR-WDEREUQCSA-N 305.382 -0.046 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1cnccc1N(C)C 1148057835 MSKUTPAFCSASCM-LBPRGKRZSA-N 317.393 -0.395 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cccc(OC)c1OC 1148925597 MBPCSZGPVGCJCB-UHFFFAOYSA-N 319.361 -0.227 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1cccnc1OCC 1149630070 DOMBOWINYVDPCY-GFCCVEGCSA-N 318.377 -0.062 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(CC(=O)NCC#N)CCCO1 1149672371 BASIZCIFZCVMED-CQSZACIVSA-N 320.393 -0.507 30 20 DBED C=CCN1CCCO[C@H](CNC(=O)CCN2C(=O)CCC2=O)C1 1149952413 BSOBJPMZDWJPDV-CYBMUJFWSA-N 323.393 -0.081 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)CCc2cn(C)nn2)C1 1150842808 YKYNTTFFRUKSHH-AWEZNQCLSA-N 305.382 -0.412 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)c1c[nH]c(C(N)=O)c1 1151185322 VLAXBEUFKICVLP-VIFPVBQESA-N 307.354 -0.876 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H](CC)N1CCCC1=O 1151535793 ZXHZARBNUSSDDF-CHWSQXEVSA-N 322.409 -0.769 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)[C@H]1C[C@@H](C)CC(=O)N1 1158275564 YNCMZBXMSQXKHT-JHJVBQTASA-N 322.409 -0.865 30 20 DBED N#CCNC(=O)CNCCCNC(=O)C12CCCN1CCC2 1161789345 MBKWOJOYQZLOJJ-UHFFFAOYSA-N 307.398 -0.650 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)c1ccc(OC)nc1 1162125100 RTKWRGFKZQTFOP-LBPRGKRZSA-N 318.377 -0.062 30 20 DBED N#CCNC(=O)CNCCCNC(=O)c1ccc2[nH]ccc2n1 1162441750 VZDHYWSMJVMDRB-UHFFFAOYSA-N 314.349 -0.088 30 20 DBED CC(C)[C@@H](O)C(=O)NCCC1(CNCC(=O)NCC#N)CC1 1164396568 XKSBFKSPTZVHQT-CYBMUJFWSA-N 310.398 -0.481 30 20 DBED C#CCNC(=O)CNCCCC[C@@H](C)NC(=O)C1=COCCO1 1168971030 LKMJCKFMYVCGRO-CYBMUJFWSA-N 323.393 -0.111 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)CCCCC(N)=O 1170634709 QRFUHTMXTSKSMY-LBPRGKRZSA-N 312.414 -0.181 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)Cc2cncnc2)C1 1182204079 LGONMTYSEGVOBA-TZMCWYRMSA-N 317.393 -0.100 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CN3CCC2CC3)C1 1182615710 NBXBQNMSPDHSKU-HUUCEWRRSA-N 320.437 -0.179 30 20 DBED C#CCNC(=O)CNC[C@H]1CCN(C(=O)c2ncc[nH]2)C[C@@H]1C 1184310107 ACWFUFPNCYNHOW-QWHCGFSZSA-N 317.393 -0.153 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)CCc2ccccn2)C1 1184799672 DIGFOQFDDIHMAX-OAHLLOKOSA-N 314.389 -0.046 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2ocnc2CC)C1 1185539057 FRJRNEABYMMITC-LLVKDONJSA-N 304.350 -0.210 30 20 DBED CN(CC(=O)NCC#N)[C@@H]1CCN(C(=O)C2=CCOCC2)C1 1189787453 PCWQVHLMQGOBMA-CYBMUJFWSA-N 306.366 -0.494 30 20 DBED C#CCOCCC(=O)N1CC[C@H](N(C)Cc2cn(C)nn2)C1 1190129761 WYSRQPYIPOOEIZ-AWEZNQCLSA-N 305.382 -0.112 30 20 DBED C=CCNC(=O)[C@H](C)N(C)[C@H]1CCN(C(=O)c2nnn(C)n2)C1 1191792027 YCXABNRVPGHAAK-QWRGUYRKSA-N 321.385 -0.953 30 20 DBED CN(C)CC1(C(=O)N2CC[C@H](N(C)CC(=O)NCC#N)C2)CC1 1191999871 YVGDRVMGFFFBNB-ZDUSSCGKSA-N 321.425 -0.499 30 20 DBED Cc1ccnn1CC(=O)N1CC[C@H](N(C)CC(=O)NCC#N)C1 1192586873 WLWZOYWERKMXKN-ZDUSSCGKSA-N 318.381 -0.636 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)NS(=O)(=O)CC)C1 1193140786 HTJWVUFPCRGSOH-IJLUTSLNSA-N 319.427 -0.948 30 20 DBED C#CCCN(C)[C@H]1CCN(C(=O)[C@H]2CN(C(C)=O)CCO2)C1 1193785878 BIXKZYOLTWAIKX-LSDHHAIUSA-N 307.394 -0.210 30 20 DBED C#CCNC(=O)[C@H](C)N1CCCN(C(=O)[C@H](C)OCC#C)CC1 1195807860 YVGNKSDEDSXYON-GJZGRUSLSA-N 319.405 -0.303 30 20 DBED C=C[C@](C)(CC)C(=O)N[C@@H]1CN(CCN2CCNC2=O)C[C@H]1O 1195923766 LHQZYZQMMSPXAO-XJKCOSOUSA-N 324.425 -0.225 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)CCc2cnccn2)C1 1197502578 LTVVTOGJNAXPCM-HUUCEWRRSA-N 320.393 -0.227 30 20 DBED Cc1cc(C(=O)N2CCC(NCC(=O)NCC#N)CC2)n(C)n1 1199523718 ZJVVCKSVVIJITN-UHFFFAOYSA-N 318.381 -0.438 30 20 DBED C=CCCC(=O)N1CCC(NCC(=O)N2CCNC(=O)C2)CC1 1199725811 BJABGVRVRZWUNP-UHFFFAOYSA-N 322.409 -0.508 30 20 DBED C[C@H](C#N)C(=O)N1CCC(NC[C@H](O)Cn2cccn2)CC1 1199870851 YPFMFLPYSAMKNU-OCCSQVGLSA-N 305.382 -0.016 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)c2cnn(C)c2N)CC1 1200164514 RINPAMLOTXOHCN-UHFFFAOYSA-N 320.397 -0.501 30 20 DBED C/C=C(/C)C(=O)N1CCCO[C@@H](CNCC(=O)NCC#N)C1 1200216623 XTPZYBBBKXGUEL-RPHDBTCBSA-N 308.382 -0.201 30 20 DBED C#CCOCCC(=O)N1CCC(N[C@@H]2CCN(C)C2=O)CC1 1200523206 LTAOZGQLHVIGHZ-CQSZACIVSA-N 307.394 -0.162 30 20 DBED CCc1cc(C(=O)N2CCC[C@H](NCC(=O)NCC#N)C2)n[nH]1 1207385278 RJTXWYSVQKYAQA-LBPRGKRZSA-N 318.381 -0.194 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)CNC(=O)CCC)C1 1207562928 YSAJCWFRIZVPIW-ZDUSSCGKSA-N 324.425 -0.215 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC[C@H](NCc2cn(C)nn2)C1 1208025587 PFRONQOFMWMGFN-OLZOCXBDSA-N 305.382 -0.066 30 20 DBED CO[C@@H]1CN(CC(=O)NCC2CC2)C[C@H]1NC(=O)C#CC1CC1 1212244537 YZFUDHKZVPOUDC-HUUCEWRRSA-N 319.405 -0.259 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)CCN(C)C)[C@H](OC)C1 1213370928 PYDLMKSAUJCIFM-CHWSQXEVSA-N 312.414 -0.944 30 20 DBED C=CCOCCN1C[C@@H](NC(=O)c2cn(C)c(O)n2)[C@H](OC)C1 1213372329 AOGHHADEJMRXCJ-DGCLKSJQSA-N 324.381 -0.243 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@]23COC[C@@H]2C3)C[C@H]1C 1214668022 MZJNHYBWGGHZDV-IATRGZMQSA-N 305.378 -0.791 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)CCn2cccn2)C1 1219201036 NHEPNVQAANEBMT-KGLIPLIRSA-N 306.366 -0.916 30 20 DBED C=CCC(C)(C)C(=O)N[C@@H]1CN([C@H]2CCN(C)C2=O)C[C@@H]1O 1220437136 VZOZGUZEPBFCDJ-AGIUHOORSA-N 309.410 -0.019 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)c2ccc(OC)nn2)C1 1220681248 FNZFWFWPPLXJHN-OLZOCXBDSA-N 322.365 -0.537 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN([C@@H](C)c2n[nH]c(C)n2)C[C@@H]1O 1221139663 IFHBMAIAFZJNMA-UHTWSYAYSA-N 323.397 -0.072 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)CCOCCOC)C1 1221143580 JJZCBKNVDWKORK-NEPJUHHUSA-N 306.790 -0.047 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2cnn(C)n2)C[C@@H]1O 1221143817 RXDZIAKYBZECQJ-UHTWSYAYSA-N 309.370 -0.933 30 20 DBED COCC#CCN1CC[C@@H]2CN(C(=O)CCCC(N)=O)[C@@H]2C1 1222113754 HHRLQEWVCOSMQS-ZIAGYGMSSA-N 307.394 -0.176 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)C(=O)C(C)(C)C 1231322240 OPZFGCWBFQAQCM-LBPRGKRZSA-N 307.394 -0.116 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)c1n[nH]c(C)c1C 1231322372 PUGLLFOZISILNS-CYBMUJFWSA-N 317.393 -0.078 30 20 DBED CC#CCN1CC[C@@H]1CN(C)C(=O)Cn1ccc(=O)n(C)c1=O 1235005384 KRKLNYQVGJXWJF-CYBMUJFWSA-N 318.377 -0.897 30 20 DBED COCC#CCN1CC[C@H]1CN(C)C(=O)[C@H]1CN(C)C[C@@H](C)O1 1235722526 LBGQWRNOTIUHPJ-OWCLPIDISA-N 323.437 -0.112 30 20 DBED C#C[C@H](NC(=O)NCc1nnc2n1CCOC2)[C@@H]1CCCO1 1255680859 BDLOBFQIEHTARN-QWRGUYRKSA-N 305.338 -0.212 30 20 DBED O=C1C=CC=N/C1=C(/O)NCCN1C(=O)[C@H]2CSCN2C1=O 1262199621 USJDBROVNNJDER-IRXCETGXSA-N 322.346 -0.150 30 20 DBED C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@@H](NC(=O)C(N)=O)C1 1265224945 NUFOAMDJBWVPSJ-QWHCGFSZSA-N 324.425 -0.135 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@@H](NC(=O)c2cn(CC)nn2)C1 1267750804 IKEGKMFXZMRHOQ-VXGBXAGGSA-N 318.381 -0.760 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)NC1CCN(CCOC)CC1 1321996992 IQAPCYYMEBMXES-LBPRGKRZSA-N 313.398 -0.469 30 20 DBED C#CCn1ccc(CN(CC)C(=O)CN2C(=O)CNC2=O)n1 1322312357 IBWIIDAXJMBKDV-UHFFFAOYSA-N 303.322 -0.583 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCCN2CCC[C@H]2C1)[C@@H]1CCCO1 1323588050 PZPSZGNETYVKBB-KKUMJFAQSA-N 319.405 -0.020 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCC(C)(CO)CC1)[C@@H]1CCCO1 1324239795 ZGMSRGYJJJDCFL-STQMWFEESA-N 308.378 -0.096 30 20 DBED COCC[C@@H](NC(=O)C(=O)Nc1ccc(C#N)cc1F)C(N)=O 1326114006 OCHBXWMVYFONHT-LLVKDONJSA-N 322.296 -0.358 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CC[C@@H]2OCC[C@@H]2C1)[C@H]1CCCO1 1328303292 VYASWZRHYOJCNG-ZOBORPQBSA-N 306.362 -0.079 30 20 DBED C=CCS(=O)(=O)CCNC(=O)[C@H](CCSC)NC(N)=O 1329392513 LOKSDYCHJCDCQB-VIFPVBQESA-N 323.440 -0.507 30 20 DBED C#CCOCCn1nnnc1N1CCO[C@H]([C@H]2CCCO2)C1 1334393018 NDBFJQQIMXNKQT-OLZOCXBDSA-N 307.354 -0.293 30 20 DBED C#CCN(C)CCCNC(=O)[C@@H]1CC(c2cnn(C)c2)=NO1 1339010612 HZMWLMLTCDMAIY-AWEZNQCLSA-N 303.366 -0.016 30 20 DBED COCCN(C(=O)[C@@H](N)CCCC#N)[C@H]1CCS(=O)(=O)C1 1345482390 AONAUABSVQBYGK-RYUDHWBXSA-N 317.411 -0.330 30 20 DBED C[C@@H]1CC(NC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)C[C@@H](C)O1 1345868028 JOCYWIJGTOSNDL-HFAKWTLXSA-N 309.366 -0.064 30 20 DBED CC(=O)NC[C@@H]1CN(C(=O)CNc2ccc(C#N)cn2)CCO1 1361900524 JQQJPVMTKVILHN-CYBMUJFWSA-N 317.349 -0.271 30 20 DBED CCNS(=O)(=O)CCNC(=O)CNc1ccc(C#N)cn1 1362061026 FUKMPJTYPZFKRR-UHFFFAOYSA-N 311.367 -0.579 30 20 DBED CN(C)[C@H]1CCCN(C(=O)Cn2cc(C#N)c(O)nc2=O)C1 1362221933 RCBUQRPTSCWTMM-NSHDSACASA-N 305.338 -0.627 30 20 DBED N#CC1(C(=O)N2CCC(C(=O)NCCO)CC2)CCOCC1 1363366781 PKYQNDFRDRGRED-UHFFFAOYSA-N 309.366 -0.346 30 20 DBED CCN(CCC#N)C(=O)CNC[C@H](C)NC(=O)[C@H]1CCCN1C 1367727006 ZPZZBKZEFAFRGT-UONOGXRCSA-N 323.441 -0.063 30 20 DBED CC(=O)N(C)CC(=O)N[C@@H](C)CNC(=O)c1ccc(C#N)[nH]1 1372854058 QXNDOHBORHCTKN-VIFPVBQESA-N 305.338 -0.401 30 20 DBED COCCN(CCNC(=O)[C@@H](C)C#N)C(=O)[C@H]1CCCC(=O)N1 1383330303 FUXKKKYAMTZGHS-NWDGAFQWSA-N 324.381 -0.594 30 20 DBED CC(=O)N(C)CC(=O)N1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 1385053786 YJXHUAVYMJOBAI-UHFFFAOYSA-N 317.349 -0.351 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](C)NC(=O)C(C)(C)NS(C)(=O)=O 1386456483 KLBRZEPZDNQNQG-DTWKUNHWSA-N 318.399 -0.905 30 20 DBED C[C@H](CNC(=O)c1ccc(C#N)[nH]1)NC(=O)c1cnn(C)n1 1389229488 WRSVSWPITMRVDR-MRVPVSSYSA-N 301.310 -0.437 30 20 DBED CCc1cc(C(=O)NC[C@@H](O)CNC(=O)[C@H](C)C#N)c(C)nn1 1392148410 WLELXTGOAROLEL-SKDRFNHKSA-N 319.365 -0.286 30 20 DBED C=C(Cl)CN1CC(O)(CNC(=O)[C@@H]2CCS(=O)(=O)C2)C1 1393318522 AYWDRFGOKWDFIY-SNVBAGLBSA-N 322.814 -0.664 30 20 DBED CN(CCNC(=O)CO[C@H]1CCOC1)c1nccnc1C#N 1396168567 IPYMNRMPWIPMRR-NSHDSACASA-N 305.338 -0.294 30 20 DBED C=C(Br)CNC[C@H](O)CNC(=O)[C@@H]1CCC(=O)N1 1401588335 SCTTYYJWDDVMHZ-IUCAKERBSA-N 320.187 -0.760 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](CNC(=O)CN1CCOCC1=O)C1CC1 1407647874 OZVPASILQJOGDB-CMPLNLGQSA-N 322.365 -0.984 30 20 DBED C[C@H](C#N)C(=O)NCC1CN(C(=O)COCc2ccnn2C)C1 1409176046 QDOGSWLXRWUMMZ-LLVKDONJSA-N 319.365 -0.329 30 20 DBED N#Cc1ncccc1S(=O)(=O)N1CCC(CO)(CO)CC1 1413430747 SRHMPRHSEQYYHF-UHFFFAOYSA-N 311.363 -0.291 30 20 DBED CC(C)[C@](C)(CO)NC(=O)CCn1cc(C#N)c(O)nc1=O 1417794799 SHBNZKIPJUPDPP-AWEZNQCLSA-N 308.338 -0.266 30 20 DBED CCN(CCC#N)C(=O)CN[C@@H](C)CNC(=O)c1ccnnc1 1419844703 BZTBURGIEHKGQR-LBPRGKRZSA-N 318.381 -0.053 30 20 DBED C[C@@H](C#N)C(=O)N(C)C1CCN(C(=O)[C@H]2CCC(=O)N2)CC1 1424783477 FPJRQWHOZCKHPM-CMPLNLGQSA-N 306.366 -0.126 30 20 DBED C[C@@H](CN(C)C(=O)c1cnn[nH]1)NC(=O)c1cc(C#N)c[nH]1 1427618865 NPTHKUDEQZLUFV-QMMMGPOBSA-N 301.310 -0.105 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](NC(=O)COCc2ccnn2C)C1 1429551034 RFAWTJPXNVCKJK-VXGBXAGGSA-N 319.365 -0.187 30 20 DBED C[C@H](C#N)C(=O)NCCN(C)C(=O)CCCS(C)(=O)=O 1431476764 AXKPPWNBTNKBEE-SNVBAGLBSA-N 303.384 -0.455 30 20 DBED Cc1cc(C(=O)NC[C@@H](C)NC(=O)[C@@H](C)C#N)ncc1C(N)=O 1431728011 CEIGOCNQIJKGRU-VHSXEESVSA-N 317.349 -0.117 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNCC(=O)Nc1cccc(F)c1 1438983585 MTZFJQVYBMZRRW-ZWNOBZJWSA-N 322.340 -0.009 30 20 DBED C=C(Cl)CNC[C@H](O)CNC(=O)C[C@H]1CCN(C)C1=O 1445181090 DVKXJNIJZZSKCL-MNOVXSKESA-N 303.790 -0.326 30 20 DBED C[C@H](CNC(=O)c1ccc2nn[nH]c2n1)CNC(=O)[C@H](C)C#N 1451607827 OFGNNDATEGKQPN-DTWKUNHWSA-N 315.337 -0.005 30 20 DBED COc1cc(C(=O)NC2(CNC(=O)[C@@H](C)C#N)CC2)nn1C 1459092981 AKFRGNIWBJXACC-VIFPVBQESA-N 305.338 -0.033 30 20 DBED CC(C)S(=O)(=O)CC(=O)N(C)C[C@@H](C)NC(=O)[C@H](C)C#N 1487786546 PVULHRUDKSQEIR-GHMZBOCLSA-N 317.411 -0.068 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CCN(C(=O)c2ccc(C(N)=O)nc2)C1 1493362546 JCTBPXNFIKTKOP-KOLCDFICSA-N 315.333 -0.329 30 20 DBED C=CCn1c([C@H](O)COC)nnc1N(C)C[C@H](C)C(=O)NC 1520650018 UYXNPEYFTFHCDG-WDEREUQCSA-N 311.386 -0.038 30 20 DBED CN(CCNC(=O)c1c[nH]c(=O)cn1)C(=O)c1c[nH]c(C#N)c1 1528574687 LUPRFBAIGYSBFO-UHFFFAOYSA-N 314.305 -0.528 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(c2ccc(-c3nn[nH]n3)nn2)CC1 1573569839 GDLMKTCUAOLZAB-VIFPVBQESA-N 313.325 -0.535 30 20 DBED C#CCN(CC(=O)O)C(=O)NCc1cc(=O)n2ccccc2n1 1588408915 LZDBJTXSNBMSBG-UHFFFAOYSA-N 314.301 -0.076 30 20 DBED COC(=O)CN(CC#N)C(=O)c1cc(-c2nn[nH]n2)[nH]c1C 1591267192 UNJMNIANSIIUTD-UHFFFAOYSA-N 303.282 -0.358 30 20 DBED N#C[C@]12CN(C(=O)NCCC(=O)O)C[C@H]1CS(=O)(=O)C2 1594611853 ISUCLNMZFMZLFP-GZMMTYOYSA-N 301.324 -0.959 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N1C[C@H](C)O[C@H](C(=O)O)C1 1596230981 FKKBXBNTYBRWCB-DCAQKATOSA-N 319.383 -0.113 30 20 DBED C#CCN(CC(=O)O)c1nnc([C@H]2CCNC(=O)CC2)n1C 1602700736 GWUMUQBVBFHIMS-SNVBAGLBSA-N 305.338 -0.277 30 20 DBED N#CC1(CC(=O)n2ncc(-c3nn[nH]n3)c2N)CCOCC1 1606340460 QCCUXAJGENKDEL-UHFFFAOYSA-N 302.298 -0.004 30 20 DBED N#C[C@@]12CN(C(=O)c3ccc(C(=O)O)o3)C[C@H]1CS(=O)(=O)C2 1608190056 CZWWPSUPIRKDQF-SDBXPKJASA-N 324.314 -0.012 30 20 DBED CNC(=O)CN1CCC(NC(=O)Cc2noc(C)c2C#N)CC1 1645663486 WVXDHTBGWJVMKA-UHFFFAOYSA-N 319.365 -0.276 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H](CN(C)CC(=O)NCC#N)C1 1752503411 JLZWMIVUBOCESJ-QWHCGFSZSA-N 305.382 -0.044 30 20 DBED C#CCNC[C@@H]1CCN(C(=O)C[C@]2(C)CCS(=O)(=O)N2)C1 1752957750 GBQLBZYDURWDSD-JSGCOSHPSA-N 313.423 -0.470 30 20 DBED N#CCN1CC[C@H](CNC(=O)CN2CCCCS2(=O)=O)C1 1753131624 ZFRQIOZBFPFZBL-GFCCVEGCSA-N 314.411 -0.626 30 20 DBED CN(C)c1noc(CN2CC(CNC(=O)CSCC#N)C2)n1 1753402345 JHHVQKCVIMZYHK-UHFFFAOYSA-N 324.410 -0.060 30 20 DBED CC#CCN(C)CCN(C)C(=O)c1nc(O)nc(O)c1OC 1753875696 QMNGIYQWDWKAGE-UHFFFAOYSA-N 308.338 -0.077 30 20 DBED C[C@@H](C(=O)NCC1(NCC(=O)NCC#N)CC1)c1cnn(C)c1 1754537077 LSUZNFFIHKIHTR-LLVKDONJSA-N 318.381 -0.598 30 20 DBED C#CCNC(=O)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1nc[nH]n1 1754543395 DUJJBHRIWMMIAZ-NEPJUHHUSA-N 316.365 -0.767 30 20 DBED C=CCN1CCC[C@@](C)(CNC(=O)c2cn(CC(N)=O)nn2)C1 1754732789 CDYBLTKPGXGTIJ-HNNXBMFYSA-N 320.397 -0.219 30 20 DBED C=CCNC(=O)CN1CC(O)(CNC(=O)c2cncs2)C1 1754765361 IUGHBRUALISBHW-UHFFFAOYSA-N 310.379 -0.778 30 20 DBED C[C@H](NCC#N)[C@@H]1CCN(C(=O)COCc2nncn2C)C1 1754803135 KMKIOTHBJGAMHE-NWDGAFQWSA-N 306.370 -0.318 30 20 DBED COc1ncc(C(=O)N[C@@]2(CO)CCCN(CC#N)C2)cn1 1754858648 FUSQHGCQMXKVDY-AWEZNQCLSA-N 305.338 -0.435 30 20 DBED C=CCNCCN(CCO)C(=O)c1ccnc(-n2cncn2)c1 1754898759 ICUAMVWOXBDYIW-UHFFFAOYSA-N 316.365 -0.128 30 20 DBED CN1CC[C@H](C(=O)N2CCC[C@@H]2CN(C)CC(=O)NCC#N)C1 1755200200 ICBYCKCMQQXYTG-UONOGXRCSA-N 321.425 -0.499 30 20 DBED C=CCN1CC(CCO)(NC(=O)COCc2nccn2C)C1 1755332921 QZJLPMCZRPFCPO-UHFFFAOYSA-N 308.382 -0.324 30 20 DBED C=CCN1CC(CCO)(NC(=O)c2nc3nccc(C)n3n2)C1 1755338302 PHAWRRYNZFQFNI-UHFFFAOYSA-N 316.365 -0.215 30 20 DBED CC#CCN1CC(CCO)(NC(=O)c2ccc(C(N)=O)cn2)C1 1755343066 CQZYRGGVRVGRDM-UHFFFAOYSA-N 316.361 -0.630 30 20 DBED C=C(C)CN1C[C@H]2[C@H](CNC(=O)Cn3ccc(O)nc3=O)[C@H]2C1 1755425365 JHICXJKKOOMTHZ-XYYAHUGASA-N 318.377 -0.181 30 20 DBED CCS(=O)(=O)N(C)CC(=O)NC[C@H]1[C@@H]2CN(CC#N)C[C@H]12 1755434346 RGGGHQSNKNSUFM-CNDDSTCGSA-N 314.411 -0.915 30 20 DBED C=CCNC[C@H]1CC2(CCN(C(=O)Cn3ncnn3)CC2)CO1 1755464397 LHIYSBPBPGKRFL-CYBMUJFWSA-N 320.397 -0.154 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H](CO)NCc2nc(C)no2)cn1 1755645556 SSUDWIIMZLUZRQ-ZDUSSCGKSA-N 315.333 -0.365 30 20 DBED CCCN(C)CC(=O)N1C[C@@H](NCC(=O)NCC#N)C[C@H]1C 1755688904 LJVDTAPABWTTTH-OLZOCXBDSA-N 309.414 -0.453 30 20 DBED C=CCOCCN1CC[C@]2(NC(=O)Cn3ncnn3)CCC[C@@H]12 1755703309 WTKRCWVAJHTBRT-UKRRQHHQSA-N 320.397 -0.011 30 20 DBED N#CCNC(=O)CNC[C@@H]1CC[C@H](NC(=O)Cc2ccon2)C1 1755726621 HZSCRQXJYVYLQU-NEPJUHHUSA-N 319.365 -0.269 30 20 DBED CC(C)C#CC(=O)N(C)C[C@@H](O)CNC[C@H]1CCc2ncnn21 1755776566 AXDJDRFMEYHYNP-KGLIPLIRSA-N 319.409 -0.166 30 20 DBED C=C(C)CNC[C@H](O)CN(C)C(=O)[C@H]1CCCCS1(=O)=O 1755780585 JEUCOLXJAKCEGF-QWHCGFSZSA-N 318.439 -0.061 30 20 DBED CC#CCNC[C@@H](O)CN(C)C(=O)[C@]1(C)CCN(C(C)=O)C1 1755791449 LBCJBSJMDCUBLA-GDBMZVCRSA-N 309.410 -0.323 30 20 DBED C=CCNC(=O)[C@H](C)N(C)C[C@@H](O)CN(C)C(=O)C#CC1CC1 1755800753 MTDTXDUGNMYAHM-DZGCQCFKSA-N 321.421 -0.158 30 20 DBED CN(CC#N)C[C@H](O)CN(C)C(=O)c1cnn2c1OCCC2 1755803132 NPFNCQDXYUYNJS-NSHDSACASA-N 307.354 -0.446 30 20 DBED C#CCNC(=O)CNC[C@H](NC(=O)[C@@H](C)CC(N)=O)C(C)(C)C 1755829861 GXYUVFZBSVVFJD-RYUDHWBXSA-N 324.425 -0.632 30 20 DBED C=CCN1CC=C(CNC(=O)CN2CC(=O)N(C)C2=O)CC1 1755896433 RIBBUEDDSJNKHF-UHFFFAOYSA-N 306.366 -0.185 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC([C@H](C)NC(=O)c2cnon2)C1 1756168022 PCBRAMHNAWIUDF-XPTSAGLGSA-N 308.338 -0.027 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@H](CO)NC(=O)c1ccc(O)nc1 1756515879 QTVZXIHUMVHGMV-XHDPSFHLSA-N 323.349 -0.679 30 20 DBED Cc1ccnc(C(=O)N[C@H](CO)CNC(=O)C#CC(C)C)n1 1756518291 WRXWWTWBKUIZHQ-LBPRGKRZSA-N 304.350 -0.349 30 20 DBED C=CC(C)(C)C(=O)N[C@H](CO)CNC(=O)c1coc(C(N)=O)c1 1756534796 ABTIZWXFNLJXMG-JTQLQIEISA-N 323.349 -0.202 30 20 DBED C=CC(C)(C)C(=O)NC[C@@H](CO)NC(=O)Cc1cncn1C 1756540469 NEQXSDLNGIAGEJ-NSHDSACASA-N 308.382 -0.232 30 20 DBED CN(C[C@@H](O)CNC(=O)C#CC1CC1)C(=O)[C@]1(C)CCC(=O)N1 1756677844 BYKDMQWHXZEWKP-LRDDRELGSA-N 321.377 -0.996 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(C(=O)CCSC)C[C@@H]1O 1757173731 HHVPTMZQRJJCLB-NEPJUHHUSA-N 314.407 -0.533 30 20 DBED N#CCSCC(=O)NC[C@H]1C[C@@H](NC(=O)Cn2nccn2)C1 1757310742 JJLYSQKUALDYKO-PHIMTYICSA-N 322.394 -0.454 30 20 DBED O=C(C#CC1CC1)N1CC2(CCCN2C(=O)Cn2cnnn2)C1 1843082818 FOQAQMOKXILJRR-UHFFFAOYSA-N 314.349 -0.710 30 20 DBED CCNC(=O)NC(=O)Cn1cc(C(=O)OC)cc(C#N)c1=O 25963531 HGPBKAYZRVJGTP-UHFFFAOYSA-N 306.278 -0.648 30 20 DBED CN/C(=N\C[C@@H]1CCN(C2CC2)C1)NCCN1CCOCC1 104172539 MPYITRQLSYDQOW-AWEZNQCLSA-N 309.458 -0.032 30 20 DBED C=CCNC(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 264732065 NCGSFSTYFZDRCT-LLVKDONJSA-N 305.400 -0.040 30 20 DBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC(O)C1 268899272 KROVJPPZOYABMT-VIFPVBQESA-N 309.347 -0.572 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCCC[C@H]2N)C1=O 269133738 OMRWGMCRCOYFIK-NXEZZACHSA-N 308.338 -0.651 30 20 DBED N#Cc1sc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)nc1Cl 278742366 RFRPECWANMSAGW-ZCFIWIBFSA-N 311.754 -0.185 30 20 DBED CCS(=O)(=O)CC/N=C(/N)NCCCN1CCOCC1 303983254 QZCOPDCFAVQXQZ-UHFFFAOYSA-N 306.432 -0.952 30 20 DBED CN([C@@H]1CCN(S(C)(=O)=O)C1)S(=O)(=O)CC1(C#N)CC1 330218546 OTYRCQWZDARJSY-SNVBAGLBSA-N 321.424 -0.414 30 20 DBED CN(CC(=O)N1CCO[C@H](C#N)C1)S(=O)(=O)c1cccnc1 330654536 NECULWUYQJBDLB-LLVKDONJSA-N 324.362 -0.547 30 20 DBED C[C@@H]1[C@@H](C)N(S(=O)(=O)N2CCO[C@@H](C#N)C2)CCN1C 336936977 GNNBRUXFJFWKAI-UTUOFQBUSA-N 302.400 -0.520 30 20 DBED C=CCOCCN(CC)CC(=O)N[C@@H]1CCS(=O)(=O)C1 338895069 MWXYGHPKFNDZKP-GFCCVEGCSA-N 304.412 -0.186 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N2CCC[C@@]23CCOC3)CCO1 341076376 JHHIDSXOAOGRQY-NEPJUHHUSA-N 301.368 -0.290 30 20 DBED CC[C@@H](O)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N 341439626 YVYCXKRIXRGBOQ-SNVBAGLBSA-N 307.354 0.335 30 20 DBED Cn1c(=O)c2c(ncn2CCC(=O)NCCCC#N)n(C)c1=O 342626013 CUGWUXORJVPGHC-UHFFFAOYSA-N 318.337 -0.756 30 20 DBED N#Cc1ncn(CCNC(=O)NCCCN2CCCCC2=O)n1 344798448 CSEINQIHCMPUTM-UHFFFAOYSA-N 319.369 -0.148 30 20 DBED CCOC(=O)[C@@](C)(O)CNC(=O)Nc1cc(C)n(CCC#N)n1 360165642 MTLCBYBKHWTKNQ-AWEZNQCLSA-N 323.353 0.541 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1CCC[C@]2(CNC(=O)C2)C1 362409285 FDSJVIWMCBLIAT-NHYWBVRUSA-N 308.382 -0.011 30 20 DBED COCCO[C@H]1COCC[C@H]1NS(=O)(=O)N(C)CCC#N 362619930 CKTGRABZWVIYPN-NEPJUHHUSA-N 321.399 -0.513 30 20 DBED N#CCNC(=O)CNC(=O)CC1(N2CCOCC2)CCCC1 376207900 QEJGZYDMOZFVAB-UHFFFAOYSA-N 308.382 -0.223 30 20 DBED N#C[C@@H]1COCCN1Cc1nnnn1CCOCC(F)(F)F 447302351 AUDIUHSOEBFGEW-SECBINFHSA-N 320.275 -0.024 30 20 DBED CNC(=O)[C@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N 490509739 LJYQMEAANYAMHV-ZETCQYMHSA-N 312.307 -0.121 30 20 DBED COC(=O)NCCC(=O)NS(=O)(=O)c1cncc(C#N)c1 497142699 GOMBIWXZIGUIHB-UHFFFAOYSA-N 312.307 -0.496 30 20 DBED C[C@@H](C#N)CNC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 517641298 LUOSQHJKOJLGHH-QMMMGPOBSA-N 301.306 -0.478 30 20 DBED C=CCn1cc(CNC(=O)N2CCN(C(=O)N(C)C)CC2)nn1 517929780 XZEUUCQHJZKQPU-UHFFFAOYSA-N 321.385 -0.027 30 20 DBED COc1cc(C#N)ccc1NC(=O)CN1C(=O)C(=O)N(C)C1=O 546709375 KBSWZXJTPHRDDB-UHFFFAOYSA-N 316.273 -0.074 30 20 DBED COc1cc(C#N)ccc1S(=O)(=O)NC[C@H](O)C(=O)O 548223986 OBLOGUFYKXKSFT-QMMMGPOBSA-N 300.292 -0.709 30 20 DBED CC(C)(CNC(=O)Cn1cnc(C#N)cc1=O)N1CCOCC1 570964085 HDUOKQAWFDTTRV-UHFFFAOYSA-N 319.365 -0.658 30 20 DBED CNC(=O)Cc1ccc(NC(=O)NCC(=O)NCC#N)cc1 588233120 WQNIJTUTMCLAMK-UHFFFAOYSA-N 303.322 -0.264 30 20 DBED CN(CCC#N)S(=O)(=O)NCc1ccc(CC(N)=O)cc1 589236045 QOEFWYZWNSJDIF-UHFFFAOYSA-N 310.379 -0.106 30 20 DBED N#CCCN(Cc1cccnc1)C(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 596964860 OJMKZHRSLTXVJZ-RBSFLKMASA-N 317.345 -0.263 30 20 DBED CC(C)(O)CN(C(=O)C(=O)N1CCN(CCC#N)CC1)C1CC1 601475865 SWHHJWBEXDZJJU-UHFFFAOYSA-N 322.409 -0.194 30 20 DBED CC(C)[C@@H](C#N)N1CCN(C(=O)CCNS(C)(=O)=O)CC1 604560257 LKGWJWWITNJSQH-GFCCVEGCSA-N 316.427 -0.382 30 20 DBED C=CCN(C)C(=O)C(=O)N1CCN([C@H]2CCCN(C)C2)CC1 658121907 YDHXKTIERWVCFV-AWEZNQCLSA-N 308.426 -0.131 30 20 DBED C=CCOCC(=O)O[C@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 729765439 JYKPKFQYFDMLGK-MNOVXSKESA-N 319.379 -0.234 30 20 DBED C=CCS(=O)(=O)NC(=O)c1cc(S(=O)(=O)N(C)C)c[nH]1 772723240 KLIJATRRAAZITH-UHFFFAOYSA-N 321.380 -0.489 30 20 DBED C#CCOCCNC(=O)N[C@H]1CCN(c2cc(C)nn2C)C1=O 784544812 JVAQNSZVLBWWQY-LBPRGKRZSA-N 319.365 -0.217 30 20 DBED CCN(CC)S(=O)(=O)CC(=O)[C@@H](C#N)C(=O)NC1CC1 784829520 SQVFYUKBLQHQFP-SNVBAGLBSA-N 301.368 -0.355 30 20 DBED C[C@H]1COC(=O)C1=NNC(=S)NCCN1CCOCC1 794867884 AFIXNQBYBOKFLQ-VIFPVBQESA-N 300.384 -0.668 30 20 DBED CNS(=O)(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 795926809 UMPUPOVTRQDKJA-RKDXNWHRSA-N 304.372 -0.201 30 20 DBED C#CCC[C@H](O)CNC(=O)N[C@@H]1CCc2nc(COC)nn2C1 798435846 BEKHYFDYWVUGFU-NEPJUHHUSA-N 321.381 -0.187 30 20 DBED C#C[C@H](NC(=O)C(=O)NCCN1CCOC[C@H]1C)[C@H]1CCCO1 809310245 BMZKNLTUHVDBPF-HZSPNIEDSA-N 323.393 -0.880 30 20 DBED C#CCCN1CCN(c2nc3c(=O)n(C)c(=O)n(C)c3[nH]2)CC1 809352763 GURUFSJGTBOKRV-UHFFFAOYSA-N 316.365 -0.894 30 20 DBED C=CCn1cc(CNC(=O)C2=C(C)N(C)c3nnnn3C2)nn1 819608493 XSRCTEJKMBZIJB-UHFFFAOYSA-N 315.341 -0.509 30 20 DBED C#CCN(CC(=O)NC[C@H](O)C(=O)OC)C(=O)OC(C)(C)C 831429689 RGDPPBCZOBEREV-JTQLQIEISA-N 314.338 -0.493 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2[C@H]3CCC[C@H]32)CC1 831565237 PPFJUUFWCHDLQM-ITGUQSILSA-N 311.407 -0.356 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCNC[C@H]1C(C)C)[C@H]1CCCO1 861753409 YAICSGHXZVOHFB-MELADBBJSA-N 307.394 -0.260 30 20 DBED CN(C(=O)[C@@H]1CCCNC1=O)[C@H]1CCN(C(=O)C#CC2CC2)C1 937351822 GUTMZFOIAIMQOS-UONOGXRCSA-N 317.389 -0.015 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)[C@@H]3CCNC3=O)C2)[nH]1 937839306 SMHBBGNIGKSJEE-WDEREUQCSA-N 315.333 -0.647 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](NC(=O)C(N)=O)[C@H](C)C1 939686442 UTUFECBRUSFQTF-KKOKHZNYSA-N 309.366 -0.584 30 20 DBED O=C(NC[C@@H]1CN(C(=O)C#CC2CC2)CCO1)[C@@H]1CCOC1 944506236 DKDDLQJFXDVPLI-ZIAGYGMSSA-N 306.362 -0.220 30 20 DBED C=CC(C)(C)C(=O)N1CCO[C@@H](CNC(=O)c2cnn[nH]2)C1 944661549 LOYNIGDBYPGFOI-JTQLQIEISA-N 307.354 -0.026 30 20 DBED C#Cc1ccc(C(=O)NC2CCN(C(=O)CC(N)=O)CC2)nc1 945602588 IRKIOXHTDQGMFF-UHFFFAOYSA-N 314.345 -0.341 30 20 DBED CN1CC[C@H](C(=O)NC2CCN(C(=O)C#CC3CC3)CC2)C1=O 946686646 IMELNOOBOXWLAV-CQSZACIVSA-N 317.389 -0.015 30 20 DBED C#CCN1C[C@H]2CCN(C(=O)CN3CC(=O)NC3=O)CC[C@H]2C1 946824499 PPWKTRFVIFEOEU-BETUJISGSA-N 318.377 -0.658 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C[C@H]1C 948071395 XOXYIFGJFYUQDP-VXGBXAGGSA-N 318.381 -0.631 30 20 DBED C=C(C)CN1CCC2(CC1)CN(C(=O)[C@H]1CNC(=O)N1)CCO2 949174146 IFZXGUJIYDTOCN-CYBMUJFWSA-N 322.409 -0.063 30 20 DBED CCN(C(=O)[C@@H]1CCc2nnn(C)c2C1)C1CN(CC#N)C1 951383111 NBXRPPWTVLFBOA-LLVKDONJSA-N 302.382 -0.024 30 20 DBED O=C(NC[C@@H]1CCCN1C(=O)C#CC1CC1)C1CS(=O)(=O)C1 956003911 GTYULCKVBCMXCY-ZDUSSCGKSA-N 324.402 -0.448 30 20 DBED CC#CCN1C[C@H](O)[C@H](CNC(=O)c2nccn3ccnc23)C1 958419160 YOWGFEFIDIHAIP-OLZOCXBDSA-N 313.361 -0.225 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](CNC(=O)C2CC(=O)NC(=O)C2)C1 958476342 ITOIMPLCEYYKEC-VXGBXAGGSA-N 309.366 -0.976 30 20 DBED CC#CCN1C[C@@H](O)[C@H](CNC(=O)c2cc3ncccn3n2)C1 958495145 VJPDYZRXGJKUCY-TZMCWYRMSA-N 313.361 -0.225 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](CNC(=O)c2ccc(C(N)=O)cn2)C1 958744118 GLWJXVNTWHGTNW-TZMCWYRMSA-N 318.377 -0.221 30 20 DBED N#CCN1CC[C@H]([C@H]2CCCN(C(=O)Cn3ncnn3)C2)C1 961155087 JEBJUHRZLDWDGS-STQMWFEESA-N 303.370 -0.243 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H]2[C@H]1CCN2C(=O)c1nnn(C)n1 963534958 JMBOTNGEAWWQGH-OUAUKWLOSA-N 317.353 -0.425 30 20 DBED CC(C)c1n[nH]cc1C(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1O 968687904 CBWJFNFKYPUEAD-WCQGTBRESA-N 319.365 -0.006 30 20 DBED C=CCN1CC[C@H](N[C@@H]2CCN(C(=O)c3[nH]nnc3C)C2)C1=O 969545616 FORXJJBFEACCJJ-NEPJUHHUSA-N 318.381 -0.296 30 20 DBED O=C1CC[C@H](N2C[C@H]3CC[C@H]2CN3C(=O)C#CC2CC2)C(=O)N1 971367954 TWBPEDBXIYDNLG-MJBXVCDLSA-N 315.373 -0.120 30 20 DBED COCCN1C[C@@H](C(=O)N2C[C@H]3CC[C@H]2CN3CC#N)CC1=O 971445826 NIWLGVUDLPLAJR-MJBXVCDLSA-N 320.393 -0.320 30 20 DBED C#CCN1C[C@H]2CC[C@H]1CN2C(=O)[C@H](C)N1C(=O)CCC1=O 971448318 OLQDMXMTGYHFNK-RWMBFGLXSA-N 303.362 -0.168 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)CS(C)(=O)=O)C[C@H]21 974973289 DSBWXLVKVBOJKM-HBNTYKKESA-N 313.379 -0.750 30 20 DBED O=C1NCC[C@H]1C(=O)N[C@H]1[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]21 976936436 ASOSAJXXSMBLQH-NMKXLXIOSA-N 301.346 -0.891 30 20 DBED CC1(C)CN(CC#N)C[C@@H]1NC(=O)c1cc(=O)n2[nH]cnc2n1 977459212 FIISTXVSHFLQNB-JTQLQIEISA-N 315.337 -0.619 30 20 DBED N#CCN1C[C@H]2C(CNC(=O)c3ccoc3CC(N)=O)[C@@H]2C1 978664145 YSVMJVWONPVUMS-RYUDHWBXSA-N 302.334 -0.261 30 20 DBED C#CCN1C[C@H]2[C@H](CNC(=O)[C@H]3CCCCN3C(N)=O)[C@H]2C1 978954247 WCMQKFPRALSHEX-YIYPIFLZSA-N 304.394 -0.153 30 20 DBED C=CCN1C[C@@]2(C)CN(C(=O)Cn3ncn(C)c3=O)C[C@@]2(C)C1 982322184 UPYXTPRNULDVMK-IYBDPMFKSA-N 319.409 -0.062 30 20 DBED C#CCN[C@@H]1CCN(C(=O)CN2C(=O)NC(=O)C2(C)C)[C@@H]1C 987314740 DZJKXQVITXMLTH-GHMZBOCLSA-N 306.366 -0.471 30 20 DBED C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)CN2CCNC(=O)C2)C1 989293514 GVPKZSMBWBJTKZ-RYUDHWBXSA-N 314.817 -0.250 30 20 DBED C#CCN1CCC(C(=O)N2CC(NC(=O)c3ncc[nH]3)C2)CC1 991245452 JLOXAYTVDYCPCE-UHFFFAOYSA-N 315.377 -0.305 30 20 DBED CC1CCN(C(=O)C(=O)NC2CN(C(=O)C#CC3CC3)C2)CC1 991641143 QOOJNWQWDOUSER-UHFFFAOYSA-N 317.389 -0.015 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H](CC)N(C)C)C1 994750007 FVPFEUNHGQYZCW-CABCVRRESA-N 320.437 -0.249 30 20 DBED N#CCN[C@H]1CN(C(=O)Cn2cnnn2)CC[C@H]1C(F)(F)F 998220929 CGEVVGJDLKFWAC-BDAKNGLRSA-N 317.275 -0.434 30 20 DBED C[C@@]1(C(=O)NC2CN(C(=O)c3cc(C#N)c[nH]3)C2)CCNC1=O 999801637 YGGIQOYOHDXXGI-OAHLLOKOSA-N 315.333 -0.647 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CCN([C@H](C)C(=O)NC)CC1 1003056941 WWSPLDCAMBNMTN-HIFRSBDPSA-N 320.437 -0.201 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](NC(=O)c2cnnn2C)C(C)(C)C1 1008092269 KKICGHKYSCXTBR-ONGXEEELSA-N 304.354 -0.058 30 20 DBED C[C@@H]1C[C@@H](CNC(=O)c2c[nH]c(C#N)c2)CN1C(=O)CC(N)=O 1010078377 KFKOGPJPSYPPAE-ZJUUUORDSA-N 317.349 -0.271 30 20 DBED C=CCCN1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1ncn(C)c1=O 1017685893 FOXAQKGSBSRTBM-BETUJISGSA-N 305.382 -0.167 30 20 DBED C=CCN[C@H]1CCN(C(=O)c2ccc(=O)n(CCOC)n2)C1 1019116742 PEELGHTWSDOWCF-LBPRGKRZSA-N 306.366 -0.120 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2O)nc1 1024922290 ZEMCCAITEAHLDG-LERXQTSPSA-N 312.329 -0.476 30 20 DBED CN(C)c1noc(CN2CC(NC(=O)c3ccc(C#N)[nH]3)C2)n1 1030222822 KHIDGQWVLZDCML-UHFFFAOYSA-N 315.337 -0.050 30 20 DBED N#Cc1ccc(C(=O)NC2CN([C@H]3CCC(=O)NC3=O)C2)[nH]1 1030224785 CBKGSEYNMSCYNU-NSHDSACASA-N 301.306 -0.894 30 20 DBED C=CCN1CC[C@@H](N2CC(CNC(=O)c3n[nH]cc3F)C2)C1=O 1031954692 HFSKQJYKOYNHQT-GFCCVEGCSA-N 321.356 -0.003 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2Cc1nnc2n1CCOC2 1032319308 NPAXIVVXNGGEHO-SRVKXCTJSA-N 316.365 -0.247 30 20 DBED C=CCN1CCCC[C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C1 1034531227 JPHAOQNWHPYFKB-VXGBXAGGSA-N 301.412 -0.165 30 20 DBED C=C(Cl)CN1CCO[C@H](CNC(=O)[C@H]2COCCN2C)C1 1035332368 BBDGRRUXSCGUBT-CHWSQXEVSA-N 317.817 -0.114 30 20 DBED C#CCOc1ncccc1C(=O)NC[C@H]1CCN1[C@H](C)C(N)=O 1038928188 LENJGAQIGMSGTJ-VXGBXAGGSA-N 316.361 -0.229 30 20 DBED CC(C)C#CC(=O)NC[C@@]1(O)CCN(C(=O)Cc2ccon2)C1 1039664660 VGNXQMNMGBQZHC-INIZCTEOSA-N 319.361 -0.044 30 20 DBED CC(C)C#CC(=O)NC[C@@]1(O)CCN(C(=O)Cc2ncc[nH]2)C1 1039665284 INJHSOITGFNXMB-INIZCTEOSA-N 318.377 -0.309 30 20 DBED O=C(C#CC1CC1)NC[C@@]1(O)CCN(C(=O)c2cc[nH]n2)C1 1039676994 CHDINFHFAKRJEQ-HNNXBMFYSA-N 302.334 -0.484 30 20 DBED N#CCN1[C@H]2CCC[C@H]1CN(C(=O)Cn1ccc(O)nc1=O)C2 1039734835 SIGVSAKHGDQEDU-RYUDHWBXSA-N 317.349 -0.462 30 20 DBED Cc1nnccc1C(=O)N1CC[C@](O)(CNC(=O)[C@H](C)C#N)C1 1040764831 ZKSIBEJQVSJMGG-BMIGLBTASA-N 317.349 -0.362 30 20 DBED N#Cc1cnccc1N1C[C@@H](O)[C@H](NC(=O)c2cnccn2)C1 1040917181 MWUNMHKMQRGSHE-TZMCWYRMSA-N 310.317 -0.277 30 20 DBED N#CCN1CCC2(CC1)CCN(C(=O)C[C@H]1CC(=O)NC1=O)C2 1040959058 DELYKSSYGWLSQC-GFCCVEGCSA-N 318.377 -0.123 30 20 DBED N#CCSCC(=O)N1CC(O)(CNC(=O)c2ccncc2)C1 1041171172 DJNSRMHQFBYSIQ-UHFFFAOYSA-N 320.374 -0.359 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)C[C@H]2CCCO2)C1 1041647281 GLBAUAHVKNSFOM-GFCCVEGCSA-N 312.366 -0.552 30 20 DBED C=CCCOCC(=O)N1CC(O)(CNC(=O)COCCC)C1 1041865020 GMLBHGPKPARNFH-UHFFFAOYSA-N 314.382 -0.305 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)[C@@H](C)OCC=C)C1 1042043122 GHPWICAJXLQASK-GFCCVEGCSA-N 312.366 -0.530 30 20 DBED CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2ccc(C#N)[nH]2)C1 1042608339 BYLPRZZFFWFYDB-JTQLQIEISA-N 320.349 -0.386 30 20 DBED Cn1cc(C(=O)N[C@@H]2CN(c3nccnc3C#N)C[C@@H]2O)cn1 1043856277 RYKBUKYSLQZCAM-NEPJUHHUSA-N 313.321 -0.939 30 20 DBED C[C@@H]1C[C@H](NCC#N)CCN1C(=O)CN1C(=O)CN(C)C1=O 1044850597 VLDJHUHVADJWCO-GHMZBOCLSA-N 307.354 -0.627 30 20 DBED C=C[C@@H](CC)CC(=O)NCC1(O)CN(C(=O)[C@@H]2CCC(=O)N2)C1 1045069290 RVLBAZJLXIHYBG-RYUDHWBXSA-N 323.393 -0.443 30 20 DBED C#CCCCCC(=O)N1CC(O)(CNC(=O)Cc2ncc[nH]2)C1 1045277208 MLVIWUPQWKUAKG-UHFFFAOYSA-N 318.377 -0.165 30 20 DBED CCCn1cc(C(=O)NCC2(O)CN(C(=O)[C@@H](C)C#N)C2)nn1 1045569473 NJFPCKQBVQVHCA-JTQLQIEISA-N 320.353 -0.849 30 20 DBED CC(C)C#CC(=O)N(C)[C@H]1CN(C(=O)c2cnn(C)n2)C[C@@H]1O 1048811134 OPCYPEMPYCRFIF-STQMWFEESA-N 319.365 -0.882 30 20 DBED C#CCCN1C[C@H]2CN(C(=O)c3cc(=O)n(C)cn3)C[C@H]2C1 1048870648 KAYOBHFAILAIGD-BETUJISGSA-N 300.362 -0.193 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)c1nc2nccc(C)n2n1 1051235534 PPZICAYTBLPDOI-GFCCVEGCSA-N 314.349 -0.503 30 20 DBED C#CCCN1CCOC[C@H]1CNC(=O)C1CCN(C(N)=O)CC1 1051238175 HGGKDBQBKBWMTL-CQSZACIVSA-N 322.409 -0.383 30 20 DBED N#Cc1cc(C(=O)N2CC[C@@H](N3CCN(CCO)CC3)C2)c[nH]1 1052012382 GSOOJBGQINGCJD-OAHLLOKOSA-N 317.393 -0.289 30 20 DBED C#CCN1CCN([C@@H]2CCN(C(=O)CCn3ccnn3)C2)CC1 1052021642 QIKBCEJMTIAIJT-OAHLLOKOSA-N 316.409 -0.480 30 20 DBED CNC(=O)CC(=O)NC[C@@H]1CN(C(=O)C#CC(C)C)C[C@@H]1C 1052530768 UNPFTFRKIUTLCR-QWHCGFSZSA-N 307.394 -0.007 30 20 DBED C[C@H](C#N)C(=O)N1CCOC2(CN(Cc3cnnn3C)C2)C1 1053190992 IWOVSRFLCFCHNV-LLVKDONJSA-N 304.354 -0.612 30 20 DBED C=CCN1CC2(C1)CN(C(=O)CN1CCCNC1=O)CCO2 1053327753 ZKBAVQXIHDHZGM-UHFFFAOYSA-N 308.382 -0.499 30 20 DBED C#CCCCC(=O)N1CCC[C@](CO)(NC(=O)CC(N)=O)C1 1055846304 UCUOICGQVOFBAF-HNNXBMFYSA-N 309.366 -0.865 30 20 DBED N#Cc1cnc(N2CCN(C(=O)c3c[nH]c(=O)cn3)CC2)cn1 1055990193 RQUCZGSTMJJRPC-UHFFFAOYSA-N 311.305 -0.606 30 20 DBED N#Cc1ccc(N2C[C@H]3[C@H](NC(=O)Cn4nccn4)[C@H]3C2)cn1 1056316485 XVFBWPZZBBBFIV-NHAGDIPZSA-N 309.333 -0.204 30 20 DBED CC[C@H](OC)C(=O)NCCN(CCO)C(=O)CSCC#N 1057026967 STCXIYQMDHOHHR-NSHDSACASA-N 317.411 -0.395 30 20 DBED C=C[C@](C)(O)CC(=O)N(CCO)CCNC(=O)c1cc[nH]n1 1057449542 DNSNWBHBDFQYPU-AWEZNQCLSA-N 310.354 -0.713 30 20 DBED C#CCO[C@H](C)C(=O)N(CCO)CCNC(=O)c1ncoc1C 1057583484 RCGPEDKINKNRCG-GFCCVEGCSA-N 323.349 -0.428 30 20 DBED C=C[C@](C)(O)CC(=O)NCCN(CCO)C(=O)c1nc(C)c[nH]1 1057709591 NQIBYLYCNGNEHQ-HNNXBMFYSA-N 324.381 -0.404 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCN(CCO)C(=O)C1(C)CC1 1057838892 RALPWMADODXFIF-AWEZNQCLSA-N 321.421 -0.179 30 20 DBED C=C[C@H](C)[C@H](C)C(=O)N(CCO)CCNC(=O)c1nnn(C)n1 1058437352 BPZUKZBNYSDOPE-QWRGUYRKSA-N 324.385 -0.781 30 20 DBED C#CCO[C@H](C)C(=O)NCCN(CCO)C(=O)Cc1cnoc1 1058483708 VBCANGYVJZWYGW-GFCCVEGCSA-N 323.349 -0.808 30 20 DBED CCOCC1(C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N)CC1 1058659017 QPFTUCOTMSMQMK-LBPRGKRZSA-N 311.382 -0.100 30 20 DBED CN1C(=O)CC[C@@H]1C(=O)N1CC[C@H](Nc2cnc(C#N)cn2)C1 1059037751 BNUIYUCQSYQFIJ-CMPLNLGQSA-N 314.349 -0.018 30 20 DBED CN1C[C@H](C(=O)N[C@H]2C[C@H](Nc3cnc(C#N)cn3)C2)CC1=O 1059446377 SRLSKAJPQWZLFE-GMTAPVOTSA-N 314.349 -0.114 30 20 DBED C=CCOCC(=O)NCC[C@@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 1060060498 CSLJANBBUMCEAW-OLZOCXBDSA-N 323.393 -0.320 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H]1COCCN1C(=O)C=C(C)C 1061515418 LJQHXORZNMQUFB-ZDUSSCGKSA-N 321.377 -0.564 30 20 DBED C=CCCC(=O)N1CCOC[C@H]1CNC(=O)C[C@@H]1CCC(=O)N1 1061699723 QNYBSGZSAYCVPZ-QWHCGFSZSA-N 323.393 -0.035 30 20 DBED C#Cc1ccc(C(=O)N2CCOC[C@H]2CNC(=O)C(N)=O)cc1 1061837618 VTKRHVJVBSQMFK-CYBMUJFWSA-N 315.329 -0.890 30 20 DBED C=CCOCC(=O)NCC1(NC(=O)CS(C)(=O)=O)CCC1 1062702397 OUFWHJMJKKXIJX-UHFFFAOYSA-N 318.395 -0.611 30 20 DBED N#Cc1cncc(NC[C@H]2CCCN2C(=O)[C@H]2C[C@H]2C(N)=O)n1 1063559132 DYJMFFANVXYSNZ-UTUOFQBUSA-N 314.349 -0.127 30 20 DBED CC(C)[C@@H](O)C(=O)NC[C@@H]1CN(C(=O)C#CC2CC2)CCO1 1065134995 PUXCNKDFOKGVLN-UKRRQHHQSA-N 308.378 -0.240 30 20 DBED C=C[C@@H](CC)CC(=O)N1CCO[C@@H](CNC(=O)CC(N)=O)C1 1065490906 PMTZCDZMDXGSDW-RYUDHWBXSA-N 311.382 -0.192 30 20 DBED Cc1cc(C#N)nc(NC[C@H]2CN(C(=O)C(N)=O)C[C@@H]2C)n1 1065899976 GUQPKMBLDRSFBO-WPRPVWTQSA-N 302.338 -0.352 30 20 DBED C[C@@H]1CN(C(=O)Cc2nc[nH]n2)C[C@@H]1Nc1nccnc1C#N 1067144489 KBFZNODDULEQIW-KOLCDFICSA-N 312.337 -0.032 30 20 DBED N#Cc1cccnc1N1C[C@H](O)[C@H](CNC(=O)c2cccnn2)C1 1067678989 XODYSBZPJHJWIV-OCCSQVGLSA-N 324.344 -0.030 30 20 DBED C=CCOCC(=O)N[C@H]1COC2(C1)CN(C(=O)c1cnco1)C2 1068764823 YSZDPTVFMDQXCC-LLVKDONJSA-N 321.333 -0.023 30 20 DBED CC#CCN1CCn2ncc(CNC(=O)[C@H]3CCNC3=O)c2C1 1069869920 KEZSHLLJVLNIQC-ZDUSSCGKSA-N 315.377 -0.526 30 20 DBED CC#CCN1CCn2ncc(CNC(=O)[C@@H]3CNC(=O)N3)c2C1 1069872541 RFKRQUJQTUIIBP-LBPRGKRZSA-N 316.365 -0.980 30 20 DBED C#CCN1CCN([C@@H]2CCCN(C(=O)[C@@H]3CCOC3)C2)C(=O)C1 1071255695 UJAWWDJEHANAET-HUUCEWRRSA-N 319.405 -0.209 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)CCCOC)C1 1071932920 OTWLPBUEHKDNCR-OLZOCXBDSA-N 323.393 -0.484 30 20 DBED CNC(=O)C1(C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2C)CC1 1072049391 SSUMHBQCUJIADZ-DGCLKSJQSA-N 317.389 -0.111 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCN(CCN3C(=O)CCC3=O)C2)C1 1072544855 ZYRPWFUCDLMCCU-GFCCVEGCSA-N 318.377 -0.171 30 20 DBED C=CCOCC(=O)NC1(C)CCN(C(=O)Cn2cncn2)CC1 1073266127 ZPHBAGYVACAFOX-UHFFFAOYSA-N 321.381 -0.022 30 20 DBED CCO[C@@H](C)C(=O)N1CC(N2CCN(C(=O)[C@H](C)C#N)CC2)C1 1073597393 YGQQHGMKXFBBGI-OLZOCXBDSA-N 322.409 -0.074 30 20 DBED C=CCCC(=O)N[C@H]1CCN(C(=O)Cn2cnnn2)C[C@H]1C 1073805477 IFZZZLMZLACJIU-NEPJUHHUSA-N 306.370 -0.008 30 20 DBED C#CCOCCC(=O)N[C@H]1CCN(C(=O)CC(=O)NC)C[C@H]1C 1073959118 CHWSZEKCGXOMLZ-OLZOCXBDSA-N 323.393 -0.484 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCN(C(=O)CNC(N)=O)[C@H](C)C1 1074990840 MAUHHLSONNZHHN-VXGBXAGGSA-N 324.381 -0.810 30 20 DBED C#CCOCCC(=O)N[C@@H](C)CCNC(=O)Cc1n[nH]c(C)n1 1076436857 DERHNWZZYDOZFU-NSHDSACASA-N 321.381 -0.293 30 20 DBED C#CCO[C@@H](C)C(=O)NCC[C@H](C)NC(=O)CNC(=O)CC 1076510669 ROEUHXUPGKHCQQ-RYUDHWBXSA-N 311.382 -0.438 30 20 DBED C[C@@H](CCNC(=O)CCNS(C)(=O)=O)NC(=O)[C@H](C)C#N 1076887724 PKSOPIFOAIHUMA-ZJUUUORDSA-N 318.399 -0.904 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2cc(O)nc3c2CCCC3)C1 1078290554 KKKYIDQGCNYSHJ-ZIAGYGMSSA-N 316.361 -0.036 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2C[C@@H](NCC(N)=O)C23CCC3)nn1 1078743654 GQLGSDANOQONAP-VXGBXAGGSA-N 318.381 -0.420 30 20 DBED N#CCN[C@H]1C[C@H]2CC[C@H]1N(C(=O)CN1C(=O)CNC1=O)C2 1079102215 JHJDWDBWRCUCKY-OUAUKWLOSA-N 305.338 -0.969 30 20 DBED Cc1nc(C(=O)N[C@@H]2CN(CC#N)C[C@H]2C)nn1-c1nc[nH]n1 1080230705 VDFPSNPEPCNVGP-PSASIEDQSA-N 315.341 -0.733 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)Cc2ccon2)C[C@@H]1O 1081463532 OYMNJXIQLXVTPY-JSGCOSHPSA-N 319.361 -0.188 30 20 DBED CC(C)(C)C(=O)C(=O)N1C[C@@H](O)[C@@H](CNC(=O)C#CC2CC2)C1 1081472022 UTJAYYFWCHXYTJ-QWHCGFSZSA-N 320.389 -0.050 30 20 DBED Cc1nc[nH]c1C(=O)N1C[C@H](CNC(=O)C#CC2CC2)[C@@H](O)C1 1081474162 NZYPLTRVFURXIE-STQMWFEESA-N 316.361 -0.319 30 20 DBED C=CC(C)(C)CC(=O)NC[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1O 1081516760 IXVAKOQXTBAWAT-MNOVXSKESA-N 321.381 -0.044 30 20 DBED C#CCCCC(=O)N1C[C@H](CNC(=O)c2cncn2C)[C@@H](O)C1 1081582815 MNMAKNDCEWAAFJ-JSGCOSHPSA-N 318.377 -0.227 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2ccnnc2)C1 1081798184 WJOPCAKBLIZRRI-ZIAGYGMSSA-N 316.361 -0.315 30 20 DBED C=CCCN1C[C@@H](NC(=O)C2CC(=O)NC(=O)C2)[C@H](OC)C1 1082235130 MXZKHEBYOXEVSF-VXGBXAGGSA-N 309.366 -0.569 30 20 DBED C[C@@H]1CN(C(=O)C[C@@]2(C)CCS(=O)(=O)N2)C[C@H]1NCC#N 1082884508 XCVKVRQGTFJVBK-NQBHXWOUSA-N 314.411 -0.582 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)c2cc(=O)n(C)o2)C1 1083429805 QFQWAZTWMNOANX-BDAKNGLRSA-N 301.730 -0.494 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCCCS2(=O)=O)C1 1083521754 GGTUDIAINWNXKH-FRRDWIJNSA-N 314.407 -0.862 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)Cc2c(C)nc(C)nc2O)C1 1084051494 OHNBSJFZKGHMLX-KGLIPLIRSA-N 318.377 -0.474 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@@H](C2CC2)N2CCOCC2)C1 1084079523 GZSWIJBSXMEESV-OWCLPIDISA-N 321.421 -0.718 30 20 DBED CC#CCN1CC[C@@H]2CN(C(=O)C[C@@H]3CC(=O)NC3=O)[C@@H]2C1 1084874050 DJRFNGFMAGUWED-FRRDWIJNSA-N 303.362 -0.405 30 20 DBED C#CCCN1CC[C@H]1CN(C)C(=O)c1cnc(O)n(C)c1=O 1085760085 ZGEBFXFXCVMRNI-NSHDSACASA-N 304.350 -0.345 30 20 DBED C=CCn1cc(C(=O)N(C)C[C@H]2CCN2CC(=O)NC)nn1 1085861358 WLOAELNIDCHZIZ-LLVKDONJSA-N 306.370 -0.644 30 20 DBED C=CCN[C@@H]1CN(C(=O)Cc2nc[nH]n2)C[C@H]1c1cnn(C)c1 1087004949 FMWYMUHWNJUWMF-QWHCGFSZSA-N 315.381 -0.149 30 20 DBED N#CCN1C[C@H]2CC[C@H]1[C@H]1CN(C(=O)C3(C(N)=O)CC3)C[C@H]21 1087384444 HEKUCWAIAIWLHT-NDBYEHHHSA-N 302.378 -0.056 30 20 DBED CNC(=O)CC(=O)N1CC[C@H](Nc2ccc(C#N)nn2)[C@@H]1C 1090211945 YSHPRANVJFPVEX-ONGXEEELSA-N 302.338 -0.114 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2cnc(N(C)C)cn2)[C@H](O)C1 1090269989 VGQODGUPQHZDSQ-GXTWGEPZSA-N 317.393 -0.269 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cc(O)nc(C3CC3)n2)[C@@H](O)C1 1090341401 HZDAJQOIQGXFLL-AAEUAGOBSA-N 316.361 -0.142 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2ccn(CCOC)n2)[C@H](O)C1 1090424033 VVUYXCDBNOIKJJ-UKRRQHHQSA-N 320.393 -0.282 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2cnc3cccnn23)[C@@H](O)C1 1090631614 UXZPCBOPGCTSSJ-OCCSQVGLSA-N 313.361 -0.082 30 20 DBED CC(C)(C(=O)N[C@H]1CCN(CC#N)C[C@@H]1O)N1CCOCC1 1090640120 GYQYKSJICKWAJO-STQMWFEESA-N 310.398 -0.828 30 20 DBED Cn1ncc(C(=O)N[C@H]2CCN(CC#N)C[C@@H]2O)c1C1CC1 1090851628 GPYFWLPTHSHFAH-STQMWFEESA-N 303.366 -0.014 30 20 DBED C[C@@]12CN(CC#N)C[C@@H]1CN(C(=O)[C@@H]1CCCN1C(N)=O)C2 1092320677 SVPLRQRTHRJWBF-XUJVJEKNSA-N 305.382 -0.167 30 20 DBED C[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1CCNC(=O)CC(N)=O 1092491430 BXNIWQMUTNNLHB-GHMZBOCLSA-N 316.365 -0.198 30 20 DBED C#CCOCCC(=O)NC1[C@@H]2CN(c3ccnc(C#N)n3)C[C@@H]12 1093310422 IJFJHXFXWVVEPJ-VXGBXAGGSA-N 311.345 -0.061 30 20 DBED N#Cc1cncc(NCCNC(=O)c2cc(C(N)=O)ccn2)n1 1093717158 FXXRYQVPSFMPGY-UHFFFAOYSA-N 311.305 -0.316 30 20 DBED C[C@@H](C(=O)NCCNc1cnc(C#N)cn1)[C@@H]1CCC(=O)N1 1094133477 QASDXZJWIBNNRQ-KOLCDFICSA-N 302.338 -0.209 30 20 DBED CN1C(=O)CN(CC(=O)N2C[C@H]3C[C@H](NCC#N)C[C@H]2C3)C1=O 1095036699 FNYAWORUHKIJJQ-SDDRHHMPSA-N 319.365 -0.627 30 20 DBED CN(CCCNC(=O)CNC(=O)C1CC1)c1cnc(C#N)cn1 1095475529 LSBKHNYTXOPNEU-UHFFFAOYSA-N 316.365 -0.183 30 20 DBED CN(C)C(=O)CC(=O)N[C@@H]1CCCN(c2ccc(C#N)nn2)C1 1096237130 CKKTVBOSSYDMLE-GFCCVEGCSA-N 316.365 -0.088 30 20 DBED CC(=O)NCC(=O)NC[C@@H](Nc1cncc(C#N)n1)C1CC1 1096560415 YQQHUVJMJGVYMH-GFCCVEGCSA-N 302.338 -0.209 30 20 DBED CS(=O)(=O)CC(=O)NC[C@H](Nc1nccnc1C#N)C1CC1 1096612394 ZQYXPJJJAAZJEN-NSHDSACASA-N 323.378 -0.300 30 20 DBED CCc1nc(C#N)cc(N[C@H]2CCN(C(=O)CNC(N)=O)C2)n1 1096916124 GNJRRNVNAUXBEJ-VIFPVBQESA-N 317.353 -0.408 30 20 DBED C[C@H](CNC(=O)CN1C(=O)CCC1=O)Nc1nccnc1C#N 1097847792 JFQGYNIDRXUWKO-SECBINFHSA-N 316.321 -0.586 30 20 DBED N#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cnn2c(=O)cc[nH]c12 1097994553 FIUFUDFYBVYYJS-JLLWLGSASA-N 312.333 -0.119 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CCC(=O)NC1)N=c1cc[nH]cc1C#N 1098397895 WFSHZZWACGUQRZ-WDEREUQCSA-N 301.350 -0.182 30 20 DBED CC#CCN(CCO)C1CCN(C(=O)[C@@H]2CCC(=O)NC2)CC1 1098417148 WRBWUDMJOZEMRU-CQSZACIVSA-N 321.421 -0.179 30 20 DBED C#CCN(CCO)C1CCN(C(=O)[C@@H](C)OCCOC)CC1 1098491666 NDOBFKCHBNTDSU-CQSZACIVSA-N 312.410 -0.044 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(CC(=O)N(C)CC)C[C@H]1O 1099741316 QTBWGHPPFKMSSG-QWHCGFSZSA-N 313.398 -0.781 30 20 DBED N#CCNC(=O)CN1CC[C@@H](NC(=O)CCC2CC2)[C@H](O)C1 1099751002 XJVWHTVMIDCJAT-CHWSQXEVSA-N 308.382 -0.632 30 20 DBED Cn1cnnc1CN1CC[C@@H](NC(=O)C#CC2CC2)[C@@H](O)C1 1099824301 RNSNFDLHRVBRTC-OLZOCXBDSA-N 303.366 -0.720 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCN(Cc2nc(C)no2)C[C@@H]1O 1099833057 QOOHUZQDXSIPOI-OLZOCXBDSA-N 322.365 -0.531 30 20 DBED Cc1nn(C)c(C)c1OCC(=O)N[C@@H]1CCN(CC#N)C[C@@H]1O 1099833369 VEKGYRHLJLNUDC-OLZOCXBDSA-N 321.381 -0.509 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CCCCNC(N)=O)[C@@H](O)C1 1099908357 CACVCDCEVMRUHD-OLZOCXBDSA-N 310.398 -0.600 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2csnn2)[C@@H](O)C1 1099935905 WVSHPKFMUVMDEM-PWSUYJOCSA-N 310.379 -0.647 30 20 DBED C=CCCCC(=O)N[C@H]1CCN(CCOCCO)C[C@@H]1O 1099973517 FGWJTUGIYRMGAH-KBPBESRZSA-N 300.399 -0.097 30 20 DBED C=CCCN1CC[C@@H](NC(=O)C(C)(C)NC(=O)NC)[C@@H](O)C1 1100126810 NIVPLTUMIYTBQR-NEPJUHHUSA-N 312.414 -0.179 30 20 DBED CCN1CCOC[C@@H]1C(=O)NCCN(C)c1ccc(C#N)nn1 1100219529 BWZNROGQQBNMAA-CYBMUJFWSA-N 318.381 -0.379 30 20 DBED C=C(Cl)CNC1CC(CNC(=O)CN2CCNC(=O)C2)C1 1100567168 ZQKIEVUYPBCLPB-UHFFFAOYSA-N 314.817 -0.345 30 20 DBED C[C@@H](CC(N)=O)C(=O)NC[C@@H]1CCCN1c1cnc(C#N)cn1 1100886768 OTNDSIDKURFQRN-JQWIXIFHSA-N 316.365 -0.055 30 20 DBED Cn1cnnc1COCC(=O)N1C[C@H]2CN(CC#N)C[C@@]2(C)C1 1101412148 DAWVCJBGVUTUTO-DOMZBBRYSA-N 318.381 -0.364 30 20 DBED CC(=O)N1CC(C(=O)N(C)CCNc2nccnc2C#N)C1 1101562884 DJUVAOYGWJDZCK-UHFFFAOYSA-N 302.338 -0.303 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](C)[C@H](CNC(=O)c2cc[nH]n2)C1 1101746882 KKLUEGLONJMAMK-FRRDWIJNSA-N 317.393 -0.155 30 20 DBED N#Cc1nccc(N2CC[C@@H](CCNC(=O)CNC(N)=O)C2)n1 1102283306 RNCIJYBNYWPYAN-SNVBAGLBSA-N 317.353 -0.651 30 20 DBED C[C@H](NC(N)=O)C(=O)N(C)[C@@H]1CCN(c2cnc(C#N)cn2)C1 1102697968 SEOIOIQTFQPSHU-GXSJLCMTSA-N 317.353 -0.558 30 20 DBED CNC(=O)CC(=O)N[C@H]1CCCCN(c2ccc(C#N)nn2)C1 1102854556 SOAVEGYVJPOSLM-LBPRGKRZSA-N 316.365 -0.041 30 20 DBED C[C@@H](CNC(=O)Cn1cnnn1)CNc1cnc(C#N)cn1 1103851742 MHMWNEHUDWDYED-SECBINFHSA-N 301.314 -0.801 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)Cn1cnnc1O 1104526535 JHSZPVCMXWZPJL-VIFPVBQESA-N 316.325 -0.974 30 20 DBED CN(CCN(C)c1nccnc1C#N)C(=O)[C@H]1CC[C@@H]1C(N)=O 1105521081 AVSYXRSRCAGKAL-QWRGUYRKSA-N 316.365 -0.246 30 20 DBED CN(CCN(C)c1ccc(C#N)nn1)C(=O)[C@@H]1CCNC1=O 1105534684 CCMSKULFEYQSQP-LLVKDONJSA-N 302.338 -0.621 30 20 DBED CC(=O)N(C)CC(=O)NC[C@H](O)CNc1ccc(C#N)nc1 1105755785 VULUSTQQVMZHNV-CYBMUJFWSA-N 305.338 -0.679 30 20 DBED CCn1cc(C(=O)NC[C@@H](O)CN=c2cc[nH]c(C#N)n2)cn1 1105765546 BKBDQMHWAJNTOK-NSHDSACASA-N 315.337 -0.811 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@H](O)CNc1cc(COC)ncn1 1105806394 WHTRKOPOVQNYDS-DOMZBBRYSA-N 324.381 -0.161 30 20 DBED CC(C)[C@H](C(=O)NC[C@@H](O)CN=c1cc[nH]cc1C#N)N(C)C 1105916865 BKHPGFUFWNNUAZ-DZGCQCFKSA-N 319.409 -0.150 30 20 DBED Cc1ncn(C)c1C(=O)NC[C@H](O)CNc1cnc(C#N)cn1 1105999014 JJCKLHGVQIFING-LLVKDONJSA-N 315.337 -0.407 30 20 DBED Cc1cc(=NC[C@@H](O)CNC(=O)c2cncn2C)c(C#N)c[nH]1 1106010969 IHJDIANZORFETC-GFCCVEGCSA-N 314.349 -0.380 30 20 DBED CO[C@@H](C(=O)NC[C@@H](O)CNc1cnc(C#N)cn1)C(C)C 1106092802 NOYUPFVQRMYIHM-WCQYABFASA-N 307.354 -0.092 30 20 DBED C[C@@H](CCNc1nccnc1C#N)NC(=O)[C@H]1COCCN1C 1106277467 HCAYXIYBVCQWQR-WCQYABFASA-N 318.381 -0.014 30 20 DBED C=CCN1CC(n2cc(CNC(=O)CCn3cnnn3)nn2)C1 1107223400 YGCLXXLTKUSRGA-UHFFFAOYSA-N 317.357 -0.986 30 20 DBED CNC(=O)NCCC(=O)N[C@H](C)CN=c1cc(C)[nH]cc1C#N 1107733437 KAHQKIBBZJLJCP-LLVKDONJSA-N 318.381 -0.081 30 20 DBED C=CCOCC(=O)NC[C@@]1(C)CN(CC(=O)NCC)CCO1 1107812018 XNIJWQWYDGCJKQ-HNNXBMFYSA-N 313.398 -0.468 30 20 DBED C#CCCN1CCO[C@](C)(CNC(=O)[C@H]2CCCC(=O)N2)C1 1108012782 DNJXBZKKYBXCHJ-CZUORRHYSA-N 307.394 -0.115 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)CCN2C(=O)CCC2=O)C1 1108057609 IRTBOYDOWVCVQD-INIZCTEOSA-N 321.377 -0.634 30 20 DBED C[C@H](CNc1cncc(C#N)n1)NC(=O)[C@H]1CCC(=O)NC1 1108204039 NWJIOLQUAZPCJU-ZJUUUORDSA-N 302.338 -0.209 30 20 DBED Cc1cc(C#N)nc(NC[C@H](C)NC(=O)[C@H]2COC(=O)N2)n1 1108359929 KXGINICKCSTJFJ-WCBMZHEXSA-N 304.310 -0.318 30 20 DBED C[C@@H](CNc1cncc(C#N)n1)NC(=O)[C@H]1CN(C)C(=O)N1 1108634979 DAXOMDQZLDLPPI-WCBMZHEXSA-N 303.326 -0.712 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1109265875 INKGSNUTXWFQDY-CRWXNKLISA-N 318.377 -0.614 30 20 DBED N#Cc1cnc(NC[C@H](NC(=O)Cn2cncn2)C2CC2)cn1 1109848531 KJGDBJCJRYTYKV-LBPRGKRZSA-N 312.337 -0.053 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1CCCC1=O 1110271174 PXTFMTBZPOCRAM-KFWWJZLASA-N 319.405 -0.020 30 20 DBED C[C@@]1(NC(=O)Cc2nc[nH]n2)CCN(c2cnc(C#N)cn2)C1 1110791568 FNZFEELLRNOYDE-CQSZACIVSA-N 312.337 -0.206 30 20 DBED COC[C@@H](C)C(=O)N(C)[C@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1111175545 JZTQNDJXBDYQMK-WXHSDQCUSA-N 319.365 -0.361 30 20 DBED C=CCCC(=O)NC[C@@H]1COCCN1c1ccc2nnnn2n1 1111673748 NVKNBRPJFOQLMT-LLVKDONJSA-N 317.353 -0.193 30 20 DBED CN(CCCN(C)c1ccc(C#N)nn1)C(=O)[C@@H]1CCNC1=O 1112151888 ZYKKDYKKIBXXGQ-GFCCVEGCSA-N 316.365 -0.231 30 20 DBED COCC#CCN1CCN(C(=O)[C@H](C)S(C)(=O)=O)CC1 1113020545 NDPZCTVRGBOXTF-LBPRGKRZSA-N 302.396 -0.787 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)Cc2cncc(C)c2)CC1 1113155277 LVWHHLBQLWBQIW-UHFFFAOYSA-N 314.389 -0.174 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)CN2CCC[C@@H]2C)CC1 1113343792 DZJHNVRUPFOQML-AWEZNQCLSA-N 306.410 -0.636 30 20 DBED C[C@@H](CNC(=O)CCn1cncn1)N(C)c1ccc(C#N)nn1 1113492907 MSIFROIDFJWOJH-NSHDSACASA-N 314.353 -0.029 30 20 DBED C[C@H](CNC(=O)[C@@H]1CCC(=O)N1)N(C)c1ccnc(C#N)n1 1113672638 NWRHMEVWPVTIKI-ZJUUUORDSA-N 302.338 -0.432 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)c3cc[n+]([O-])cc3)[C@H]2C1 1113805189 ADUXIVOKWFQXCY-STQMWFEESA-N 316.361 -0.718 30 20 DBED C[C@@H](CNC(=O)[C@]1(C)CCNC1=O)N(C)c1nccnc1C#N 1113872859 YLJHPJQPYHOQAI-ZUZCIYMTSA-N 316.365 -0.185 30 20 DBED CC1(C)CN(c2nccnc2C#N)C[C@@H]1NC(=O)CNC(N)=O 1114423492 KQXMPQRBVNTFGK-JTQLQIEISA-N 317.353 -0.652 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)c3coc(OC)n3)[C@@H]2C1 1114623552 AAIZKVULPTUAFG-NXEZZACHSA-N 318.333 -0.907 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)[C@@H]3CCC(=O)N3C)[C@H]2C1 1114695116 AJXGPAGBTBKDSY-SFDCQRBFSA-N 305.378 -0.697 30 20 DBED C[C@@H](CN(C)C(=O)CCNC(N)=O)Nc1cnc(C#N)cn1 1115727105 CQKZAOUDXUEZDX-VIFPVBQESA-N 305.342 -0.335 30 20 DBED N#CCNC(=O)CNC(=O)NCc1cnn(CC(F)(F)F)c1 1117286727 RWDPBAJSYFFWBR-UHFFFAOYSA-N 318.259 -0.116 30 20 DBED CN(C)C(=O)c1ccc(CNC(=O)NCC(=O)NCC#N)cc1 1117324315 VODUWQNROSUBLY-UHFFFAOYSA-N 317.349 -0.173 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N(CC)[C@@H]1CCS(=O)(=O)C1 1117543663 HHRQEVRQEQHKNL-WDEREUQCSA-N 318.395 -0.661 30 20 DBED C[C@]1(C#N)CCCN(C(=O)C(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)C1 1117605065 GMBKHZHUJZEWDQ-FIXISWKDSA-N 322.365 -0.712 30 20 DBED N#Cc1c[nH]ccc1=N[C@H](CO)CNC(=O)Cc1cncnc1 1121412864 WYSFSCQKSLJUBU-ZDUSSCGKSA-N 312.333 -0.703 30 20 DBED Cc1cc(C#N)nc(N[C@H](CO)CNC(=O)c2cnon2)n1 1121881596 IXKNEDVLKGPAAT-VIFPVBQESA-N 303.282 -0.758 30 20 DBED N#CCSCC(=O)NCCNCC(=O)NCc1ccco1 1123792007 DJYKLGOYNNDCMO-UHFFFAOYSA-N 310.379 -0.142 30 20 DBED CN(C[C@H](O)CNc1ccc(C#N)nn1)C(=O)Cn1cccn1 1124117178 OMRAZGOGHNVFEB-GFCCVEGCSA-N 315.337 -0.524 30 20 DBED CN(C[C@@H](O)CNc1nccnc1C#N)C(=O)[C@@]12COC[C@@H]1C2 1124820719 AASRQCTUXVJJIB-PGUXBMHVSA-N 317.349 -0.384 30 20 DBED COCCC(=O)N(C)C[C@H](O)CN(C)c1ccnc(C#N)n1 1124901165 ACJVJBNAQNLZKS-LLVKDONJSA-N 307.354 -0.360 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)CCCn1ccnn1 1129176623 XMTVSFVREKLZRR-LBPRGKRZSA-N 308.386 -0.545 30 20 DBED C=C(C)C[C@@H](C)C(=O)N[C@@H]1CN(CC(N)=O)C[C@@H]1n1ccnn1 1129189280 LRCSIYWRHTZYPC-UPJWGTAASA-N 320.397 -0.293 30 20 DBED C=CCC[C@H](C)N[C@@H]1CN(C(=O)CC(N)=O)C[C@@H]1n1ccnn1 1129703978 QKLQUCBPFCLNMT-XQQFMLRXSA-N 320.397 -0.150 30 20 DBED CC(C)C#CC(=O)N1C[C@H](n2ccnn2)[C@H](NC[C@H](C)O)C1 1129822499 VHENIIQCXMNKAI-MJBXVCDLSA-N 305.382 -0.340 30 20 DBED NC(=O)CN1CC[C@H](c2n[nH]cc2CNC(=O)C#CC2CC2)C1 1130389312 NSRLMPVYELSTMV-LBPRGKRZSA-N 315.377 -0.286 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCNC(=O)CCN(C(=O)CC)CC1 1131318834 STSXFIZFJDIEDQ-CYBMUJFWSA-N 324.425 -0.262 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cc2ncccc2o1 1131443409 NKXXVSOBRIRMOD-UHFFFAOYSA-N 300.318 -0.103 30 20 DBED C#CCCN1CC[C@@]2(C1)CN(C(=O)CNC(=O)NC)C[C@@H](C)O2 1131665034 CIJWGGVSNWXHDI-CZUORRHYSA-N 322.409 -0.370 30 20 DBED C#CCN1CC[C@@]2(C1)CN(C(=O)COCCN(C)C)C[C@H](C)O2 1131692780 KQYZZPNSDLSMQA-DOTOQJQBSA-N 323.437 -0.110 30 20 DBED CC#CCN1C[C@H](NC(=O)CNS(=O)(=O)NC)CC[C@@H]1C 1132199728 MEMGOIFWGXXFRZ-NWDGAFQWSA-N 316.427 -0.967 30 20 DBED C=CCOCCNCCNC(=O)CNC(=O)C1CCOCC1 1135474258 LHKSTHMCGMCBLF-UHFFFAOYSA-N 313.398 -0.562 30 20 DBED C#CCCN1CCCO[C@@H](CNC(=O)C(=O)NCC(F)F)C1 1149931242 YXGQMBVTZNGENU-NSHDSACASA-N 317.336 -0.402 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)CCCn2cncn2)C1 1150546330 CTMGUJIZSDZZBV-AWEZNQCLSA-N 305.382 -0.101 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@@H](CCCC)NC(N)=O 1153331434 RDAOITFMIHJCEC-LLVKDONJSA-N 313.402 -0.779 30 20 DBED C#CCNC(=O)CNCCNC(=O)C1CCC(NC(C)=O)CC1 1153632151 DBQDTWQUCOZMBN-UHFFFAOYSA-N 322.409 -0.864 30 20 DBED C=CCNC(=O)NC(=O)CNCCCNC(=O)[C@@H](C)COC 1155689148 GLCORRNMRVYWBD-NSHDSACASA-N 314.386 -0.623 30 20 DBED C=CCNC(=O)NC(=O)CNCCCNC(=O)COCC=C 1155725390 PQPGPBMQPHALMB-UHFFFAOYSA-N 312.370 -0.703 30 20 DBED C=CCNC(=O)NC(=O)CNCCCNC(=O)[C@@]12COC[C@@H]1C2 1158457577 IDIOFYMACAABRX-NHYWBVRUSA-N 324.381 -0.869 30 20 DBED COCC#CCN1CC=C(CCNC(=O)Cn2ncnn2)CC1 1160151010 RMHIONSPTRUCNX-UHFFFAOYSA-N 318.381 -0.539 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@@H]1CCc2nccn2C1 1161300310 JEOICEJYCLXVSW-CYBMUJFWSA-N 317.393 -0.709 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)c1cn(C)c(O)n1 1165868116 JCDYRFUZTWDDRX-JTQLQIEISA-N 309.370 -0.474 30 20 DBED CC#CCNCC1(CCNC(=O)CC[C@@H]2NC(=O)NC2=O)CC1 1168052017 JNHFMCIIGMTDOS-LBPRGKRZSA-N 320.393 -0.126 30 20 DBED C=CCNC(=O)CN1CCO[C@@H]2CCN(C(=O)COC)C[C@@H]21 1176877477 VRDVVYFMHQYEPE-QWHCGFSZSA-N 311.382 -0.763 30 20 DBED CC#CCN1CCO[C@H]2CCN(C(=O)COCCN(C)C)C[C@H]21 1177138174 JQWFNJBRLPRFIO-CVEARBPZSA-N 323.437 -0.110 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)c2cn[nH]c2)[C@H]1C 1178179625 UMBQDOLEDUWHGA-MDZLAQPJSA-N 303.366 -0.260 30 20 DBED CO[C@@H](C(=O)N1CC[C@H](NCC(=O)NCC#N)[C@@H]1C)C1CC1 1178590757 ACYKRQQLRZKIBC-VHRBIJSZSA-N 308.382 -0.370 30 20 DBED Cc1nscc1C(=O)N1CC[C@@H](NCC(=O)NCC#N)C1 1182067874 UBSCVYYYHIGRTG-SNVBAGLBSA-N 307.379 -0.105 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@@H](NCc2nc(N(C)C)no2)C1 1182505094 PPLOWYBBPYEKCF-NWDGAFQWSA-N 321.381 -0.136 30 20 DBED C#CCCN[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(CCOC)C2)C1 1182965259 UMPAYWKPVSPEMU-ZIAGYGMSSA-N 307.394 -0.305 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2[nH]c(O)nc2C)C1 1183475327 KBMGGTJQFJKPOU-GHMZBOCLSA-N 319.365 -0.634 30 20 DBED CC(=O)N[C@H](C)C(=O)N1C[C@@H](CNCC#N)C2(CCOCC2)C1 1186236793 OZPBMXZMEYWSOZ-TZMCWYRMSA-N 322.409 -0.121 30 20 DBED COCC#CCN1C[C@@H]2CCN(C(=O)[C@H](C)CC(N)=O)[C@@H]2C1 1188801136 IYFROYJBGWJHCH-HZSPNIEDSA-N 307.394 -0.320 30 20 DBED COCCOC[C@@H](O)CN(C)[C@H]1CCN(C(=O)C#CC2CC2)C1 1190035535 FLRORGQBJYDASJ-HOTGVXAUSA-N 324.421 -0.044 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)C2CCCCC2)C1 1190700425 HVRXFSXUVOKHOB-NWANDNLSSA-N 321.421 -0.134 30 20 DBED COCC#CCN(C)[C@@H]1CCN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 1190899431 JZKRMCNXMBGUSA-BZUAXINKSA-N 323.437 -0.112 30 20 DBED CCn1cc(CN2C[C@@H](O)[C@H](NC(=O)CSCC#N)C2)nn1 1191149442 SZJDTDGBWISWGQ-VXGBXAGGSA-N 324.410 -0.784 30 20 DBED COC[C@@H](C)CC(=O)N1CC[C@@H](N(C)CC(=O)NCC#N)C1 1193157975 YPEXSLXPGXKHIE-QWHCGFSZSA-N 310.398 -0.169 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)CCS(=O)(=O)CC(C)C)C1 1194185526 YPUMACNFCMXGAT-CHWSQXEVSA-N 316.423 -0.758 30 20 DBED CC#CCCCC(=O)N[C@@H]1CN([C@H]2CCCNC2=O)C[C@H]1O 1195467127 JMNJZIPJOCEVEL-HZSPNIEDSA-N 307.394 -0.380 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)CCCC2CC2)C1 1195474255 SHLDDVYMPKJVOC-BPLDGKMQSA-N 321.421 -0.134 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C2(C)CC=CC2)C1 1195841753 FDGFVOFAUKTDLR-CHWSQXEVSA-N 307.394 -0.194 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2CCC)C1 1195990929 QSXQJGBQIZUBPV-AAVRWANBSA-N 309.410 -0.114 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)C(C)(C)NC(=O)NCC)C1 1196608328 CSDWGILXQGOUHR-VXGBXAGGSA-N 310.398 -0.731 30 20 DBED CC[C@@H](NC(C)=O)C(=O)N1CCCN(CC(=O)NCC#N)CC1 1197227239 MQFMOJYGYPJUIY-CYBMUJFWSA-N 323.397 -0.925 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)CCNC(=O)c2ccco2)C1 1198459378 WBWVCKPHCYVFLI-CHWSQXEVSA-N 319.361 -0.416 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]cc2C)C1 1198661606 HQNPJLKCVRTNEX-MRVWCRGKSA-N 320.393 -0.211 30 20 DBED C=C(C)CCNC[C@@H]1CN(C(=O)Cn2ncnn2)CCCO1 1200520437 UXHVRSIHHKKDKU-CYBMUJFWSA-N 308.386 -0.154 30 20 DBED N#CCNC[C@@H]1CN(C(=O)c2cnc3n2CCOC3)CCCO1 1200727710 BHBRNNZULZCABE-GFCCVEGCSA-N 319.365 -0.242 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CCN(C(=O)[C@H](C)CC(N)=O)CC1 1201984321 FWLFMURDVWLVLI-VXGBXAGGSA-N 322.409 -0.784 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@H](NCC(=O)NCC=C)C1 1207870022 OKFMFMCRYCJQHF-ZDUSSCGKSA-N 320.393 -0.991 30 20 DBED Cc1nocc1C(=O)N1CCC[C@H](NCC(=O)NCC#N)C1 1209374520 MUSOGPLKSXHLDY-NSHDSACASA-N 305.338 -0.183 30 20 DBED C#CCCN1C[C@@H](NC(=O)CNC(=O)C2CCOCC2)[C@H](C)C1 1209595375 LUVDNCKSTGJCBZ-UKRRQHHQSA-N 321.421 -0.011 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)Cc1ncc[nH]1 1209713396 HOJDHPPGDDVSID-GHMZBOCLSA-N 304.354 -0.972 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCCN(C(=O)c2ncccn2)C1 1210263438 CHWVRRYYEMFDOK-QWHCGFSZSA-N 315.377 -0.191 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2cnn(C)n2)C[C@H]1OC 1212257873 KHUIWDWUBPISJT-IACUBPJLSA-N 321.381 -0.831 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)c2nonc2C)[C@H](OC)C1 1213982279 YVCBLYKMUBBPGU-GHMZBOCLSA-N 323.353 -0.891 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CC(C)(C)O)C[C@H]1C 1214537533 HQGNNHLLYORKGU-JHJVBQTASA-N 309.410 -0.278 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)CCCF 1218476580 YRCDCTXEIHTZBU-QWHCGFSZSA-N 311.357 -0.603 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(Cc2ncnn2C(C)C)C[C@@H]1O 1219361885 KFFWIHSULQPMLS-OLZOCXBDSA-N 323.397 -0.277 30 20 DBED C#CCCCCC(=O)N[C@@H]1CN([C@@H]2CCC(=O)NC2=O)C[C@@H]1O 1219482185 OJRPRZOOUHNAMW-UPJWGTAASA-N 321.377 -0.854 30 20 DBED C#CCC1(C(=O)N[C@@H]2CN([C@H](CC)C(N)=O)C[C@@H]2O)CCC1 1219785400 NFMIMCCMLGBAOS-UPJWGTAASA-N 307.394 -0.395 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)[C@@H](CC(C)C)OC)C1 1220308282 ACPDHERMWYWZOX-QLFBSQMISA-N 312.410 -0.141 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)CCCCN2CCOCC2)C1 1220545943 WEGRUFUOUBYFEY-CABCVRRESA-N 309.410 -0.717 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)CCN2CCCCC2)C1 1221081629 QGERPOWOTRTOKR-CVEARBPZSA-N 323.437 -0.327 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)CNC(=O)c3ccccn3)[C@@H]2C1 1222041840 IAEPVZVQGJBQJV-UKRRQHHQSA-N 312.373 -0.023 30 20 DBED C#CCCN1CCC(CNC(=O)CNS(=O)(=O)CC)CC1 1223374256 MNUIBXDNXMIYID-UHFFFAOYSA-N 315.439 -0.223 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CCCC[C@H]1NCc1nc(=O)n(C)[nH]1 1225396153 ZVJNMYOUBQELHQ-HBNTYKKESA-N 306.370 -0.215 30 20 DBED CC#CCN[C@@H]1CCCC[C@H]1NC(=O)Cn1ccc(O)nc1=O 1227330284 VLLHTYPOPCDJDC-CHWSQXEVSA-N 318.377 -0.011 30 20 DBED Cn1cnnc1COCC(=O)N[C@@H]1CCCC[C@H]1NCC#N 1229433771 LPABCNIKIFHFJT-VXGBXAGGSA-N 306.370 -0.128 30 20 DBED CN(C)CCC(=O)NCC[C@H]1CN(CC#N)CCS1(=O)=O 1230494307 JRPSPXMOALBGHQ-LBPRGKRZSA-N 316.427 -0.933 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@H]1CN(C)C(=O)Cc1ccon1 1231395837 OZXPXOYNCBGYQS-JSGCOSHPSA-N 318.377 -0.112 30 20 DBED C#CCNC(=O)CC(=O)N(C)C[C@@H]1CCN1C[C@H]1CCOC1 1233819782 PIYRYLBTWGZGAR-KGLIPLIRSA-N 307.394 -0.305 30 20 DBED C=CCOCC(=O)NCCCN(C)CCNS(C)(=O)=O 1235684551 ZSUZWLAKOYQBPQ-UHFFFAOYSA-N 307.416 -0.824 30 20 DBED Cn1cnn(CC(=O)NCc2ccc(C(=O)NO)cc2)c1=O 1256270218 NILNCNOEDTUXTM-UHFFFAOYSA-N 305.294 -0.983 30 20 DBED CCn1cc([C@@H]2C[S@@](=O)CCN2CC(=O)NCC#N)cn1 1320719171 RAIACKWUCJSVBF-QKVFXAPYSA-N 309.395 -0.352 30 20 DBED N#CCNC(=O)CCC(=O)N1CCN(c2ncccn2)CC1 1322630029 MHPXEKQLTKZNBY-UHFFFAOYSA-N 302.338 -0.455 30 20 DBED C#CCSCCNC(=O)C(=O)N[C@@H]1CCN(C(C)C)C1=O 1322793508 YLFHLFSMMFEYHD-LLVKDONJSA-N 311.407 -0.406 30 20 DBED C#CCOCCNC(=O)C(=O)N(C)[C@H](C)C(=O)NC(C)(C)C 1322966064 BNSSPLUOOUHDBW-LLVKDONJSA-N 311.382 -0.486 30 20 DBED C#CCOCCNC(=O)C(=O)N[C@H]1CCc2nc(C)ncc2C1 1323244438 RKOXACWOLSYYRK-ZDUSSCGKSA-N 316.361 -0.475 30 20 DBED C#CCSCCNC(=O)C(=O)NC[C@@H]1COC(C)(C)O1 1323346212 MYGMJGGPIQMQMU-SNVBAGLBSA-N 300.380 -0.263 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)NCCC(=O)N1CCCCC1 1323781908 PZRXNZSOPGMYBD-GFCCVEGCSA-N 311.382 -0.178 30 20 DBED C[C@@H]1C(=O)N(C)CCN1C(=O)C(=O)N1CCC(CC#N)CC1 1325726771 GSHMJDUVJDXYBV-LLVKDONJSA-N 306.366 -0.172 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N[C@H]2CC[C@H](CN)C2)nn1 1326583814 NDBMAILYRHNUMQ-QWRGUYRKSA-N 306.370 -0.676 30 20 DBED C=CCCC(=O)CN1C(=O)N[C@H](CCS(N)(=O)=O)C1=O 1327563178 BBAGIICPWKBOSA-SECBINFHSA-N 303.340 -0.879 30 20 DBED C[C@H](NC(=O)C(=O)N1CC[C@@](O)(CC#N)C1)C1CCOCC1 1328303433 PYHSIKWMYTVXPD-NHYWBVRUSA-N 309.366 -0.205 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)N[C@@H]2CCCNC2)CCN1C1CC1 1331185142 IJXBLGPOFGRAMP-YPMHNXCESA-N 305.382 -0.947 30 20 DBED Cc1noc([C@@H](C)N(C)C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)n1 1332978293 IGZUCAFUESZMLT-OTYXRUKQSA-N 321.337 -0.226 30 20 DBED C=C(C)CN(C)c1nnnn1[C@H]1CCN(S(C)(=O)=O)C1 1334958176 KAJLEYRYGRLTRX-JTQLQIEISA-N 300.388 -0.108 30 20 DBED C=CCCN(C)c1nnnn1C1CC(NS(C)(=O)=O)C1 1337385441 CCMURRBFQKUHQM-UHFFFAOYSA-N 300.388 -0.062 30 20 DBED COCc1nc2n(n1)C[C@H](NC(=O)C(=O)NCCCC#N)CC2 1343112358 CTFHCPFHQVBPJX-SNVBAGLBSA-N 320.353 -0.725 30 20 DBED CCN1CCN(CC(=O)OCc2ccc(C#N)cn2)C(=O)C1=O 1344788134 RTGXXLQTGIIZRL-UHFFFAOYSA-N 316.317 -0.313 30 20 DBED C=CCS(=O)(=O)CCNC(=O)[C@@H]1CN2CCN1C[C@H]2C 1348223245 SAOZONCBUNYNKB-NEPJUHHUSA-N 301.412 -0.908 30 20 DBED COCCCN(C)CCNC(=O)C(=O)N[C@@H]1CC[C@H](C#N)C1 1349029331 CPRQXWVSSWPMLF-QWHCGFSZSA-N 310.398 -0.121 30 20 DBED CCn1nccc1C(=O)NCCn1cc(C#N)c(O)nc1=O 1364107549 KSSIAGCZKKYNRZ-UHFFFAOYSA-N 302.294 -0.533 30 20 DBED N#Cc1c[nH]c(C(=O)N2CCC(N(CCO)CCO)CC2)c1 1365907389 QHUZCKNIMZIGCF-UHFFFAOYSA-N 306.366 -0.222 30 20 DBED C[C@@H](C(=O)N1CCCCC1)N1CC(O)(CNC(=O)[C@H](C)C#N)C1 1368288606 LLDPTZJGKVNRNA-OLZOCXBDSA-N 322.409 -0.290 30 20 DBED N#Cc1ccc(C(=O)NC[C@H](O)CNC(=O)C2=COCCC2)[nH]1 1376548058 JCMZBJDXKICWOF-GFCCVEGCSA-N 318.333 -0.212 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H](C)CNC(=O)CN1CCC(=O)NC1=O 1380923708 VFLRUHVDIWJMIR-NXEZZACHSA-N 323.353 -0.949 30 20 DBED C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)N(C)C(=O)[C@H]1C[C@H]1C(N)=O 1382962819 ZMDQDFIPUXWTID-GDPRMGEGSA-N 317.349 -0.416 30 20 DBED COc1cc(OC)nc(C(=O)N[C@@H](C)CNC(=O)[C@@H](C)C#N)n1 1392920530 CHYBSNPSWIDRBB-IUCAKERBSA-N 321.337 -0.112 30 20 DBED CN(C[C@H](O)CNCc1ncccn1)C(=O)c1cc(C#N)c[nH]1 1394736400 PYQLZCPWRFISCE-GFCCVEGCSA-N 314.349 -0.101 30 20 DBED Cc1nc(CC(=O)N(C)C[C@@H]2CCN2C(=O)[C@@H](C)C#N)n[nH]1 1406475563 QGQWZCBJPZYMBJ-ONGXEEELSA-N 304.354 -0.125 30 20 DBED C[C@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)[C@@H]1CCC(=O)NC1 1408117176 YBGVNCCYRFHYGF-MWLCHTKSSA-N 317.349 -0.353 30 20 DBED COC(=O)[C@@H]1[C@@H](O)CCCN1S(=O)(=O)CC(C)(C)C#N 1414248605 QPGHJNDUJNIPPM-UWVGGRQHSA-N 304.368 -0.136 30 20 DBED Cn1c(N2CCC3(CCNC3=O)CC2)c(C#N)c(=O)n(C)c1=O 1421243643 WYASTBMISVQZRX-UHFFFAOYSA-N 317.349 -0.938 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)[C@H](C)CN2CCOCC2)CC1 1432299456 XZAUOGDTTRNURN-QWHCGFSZSA-N 322.409 -0.121 30 20 DBED Cn1c(=O)[nH]c(N2CCC[C@@H](C(=O)NC3CC3)C2)c(C#N)c1=O 1434435714 HNAGANMECNQTDM-SECBINFHSA-N 317.349 -0.560 30 20 DBED Cc1ccn(C)c(=O)c1NC(=O)Cn1cc(C#N)c(O)nc1=O 1445285503 MKTFCBGLIGBPNJ-UHFFFAOYSA-N 315.289 -0.534 30 20 DBED CCCNC(=O)NC(C)(C)C(=O)N1CC(NC(=O)[C@H](C)C#N)C1 1450483757 VIIAEGBQYGLDBF-SNVBAGLBSA-N 323.397 -0.039 30 20 DBED C=C(Cl)CN1C[C@@H]2C[C@H]1CN2C(=O)CCS(=O)(=O)NC 1494653888 JDSUCCCIKDBGCU-QWRGUYRKSA-N 321.830 -0.037 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2C)C1 1509805176 DPXVYBQHBFAPNV-FDYHWXHSSA-N 305.378 -0.207 30 20 DBED COCCN(CCNC(=O)[C@H](C)C#N)C(=O)[C@@H]1CC(=O)N(C)C1 1511865856 DWSXKNXGUHPLCJ-VXGBXAGGSA-N 324.381 -0.784 30 20 DBED N#CCCOCCOCCOC(=O)[C@@H]1CSCC(=O)N1 1516515305 XVZPZBDGGRRHII-JTQLQIEISA-N 302.352 -0.292 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@@H]3C(=O)O)C2)[nH]1 1571129071 WTMOFXUGQILSJX-DBIOUOCHSA-N 316.317 -0.016 30 20 DBED C[C@@]1(C#N)CN(S(=O)(=O)Cc2cc(C(=O)O)no2)CCO1 1573590870 YIUMMEVVANOQFE-LLVKDONJSA-N 315.307 -0.183 30 20 DBED CO[C@@H](CS(=O)(=O)N1CCNC[C@H]1C#N)C1CCOCC1 1578913326 VSEQJVMBGZJTTG-OLZOCXBDSA-N 317.411 -0.445 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)O[C@@H](C)C(=O)NCC(=O)O 1588547225 ICUKVGWYKBXTKQ-WPRPVWTQSA-N 300.311 -0.410 30 20 DBED CCc1noc(C)c1Cn1c(=O)c(C#N)cn(CC(=O)O)c1=O 1593655336 HQPIKVKNHYVZOA-UHFFFAOYSA-N 318.289 -0.127 30 20 DBED COC[C@@]1(C(=O)O)CN(C(=O)[C@]2(C#N)CCCOC2)CCO1 1593974453 MLPJOKYEAWEXAL-UONOGXRCSA-N 312.322 -0.365 30 20 DBED Cc1ccc(S(=O)(=O)NCC(=O)NCC(=O)O)c(C#N)c1 1600480109 PUDTXOCVAVESNL-UHFFFAOYSA-N 311.319 -0.654 30 20 DBED N#Cc1ccc(CNC(=O)CN2C[C@@H](O)C[C@H](C(=O)O)C2)cc1 1601100693 UXQYVNXQCBWCST-KBPBESRZSA-N 317.345 -0.058 30 20 DBED N#CC1CCN(C(=O)C(=O)N2C[C@@H](O)C[C@@H](C(=O)O)C2)CC1 1608179701 ZATYFPVHWUVPCO-MNOVXSKESA-N 309.322 -0.957 30 20 DBED CC(C)[C@@](C)(C#N)NC(=O)CN1CCN(C)C[C@@H](C(=O)O)C1 1609684068 QKFMEJWMYKGJPX-IUODEOHRSA-N 310.398 -0.011 30 20 DBED CS(=O)(=O)N1CCCC[C@H]1C(=O)N1CC(O)(CC#N)C1 1645748260 YKVIMAJMZRQSDW-JTQLQIEISA-N 301.368 -0.713 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)NC[C@@H]1CCN(C)C(=O)C1 1646022772 KQJOMTHBDRXAMU-GHMZBOCLSA-N 302.400 -0.077 30 20 DBED CC#CCCCC(=O)NCCN1CCN([C@@H](C)C(N)=O)CC1 1752370504 LDWGYIYZLXPCPY-AWEZNQCLSA-N 308.426 -0.212 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@H]1C[C@@H](NC(=O)c2cn(C)nn2)C1 1752723333 NHUKNRHAZNTSDN-MXWKQRLJSA-N 306.370 -0.644 30 20 DBED C=CCNC(=O)CN[C@H]1C[C@@H](NC(=O)[C@@H]2CCN(C)C2=O)C1 1752754798 XKHRZUSFHDVTJJ-TUAOUCFPSA-N 308.382 -0.996 30 20 DBED COCC#CCNC[C@@H]1CCN(C(=O)CN2CCCNC2=O)C1 1752944342 WJXZYDHUILWGBF-AWEZNQCLSA-N 322.409 -0.510 30 20 DBED CNC(=O)NC(=O)[C@@H](C)N(C)CCNC(=O)CSCC#N 1753042688 AIXLNSOMFZFDCM-SECBINFHSA-N 315.399 -0.865 30 20 DBED CS(=O)(=O)CCCN1CC(NC(=O)CSCC#N)C1 1753370982 ZCMFPJWBQXKSPV-UHFFFAOYSA-N 305.425 -0.522 30 20 DBED CNC(=O)NCC(=O)N1CC[C@H](NCC#CCOC)[C@@H](C)C1 1753754119 FPCMUGLFYDADQW-STQMWFEESA-N 310.398 -0.608 30 20 DBED C=CCNC(=O)CNC[C@@H](O)CNC(=O)c1cc(Cl)c[nH]1 1753903984 DIANEDUTJSEUCX-SNVBAGLBSA-N 314.773 -0.349 30 20 DBED C=CCNC(=O)NC(=O)CNC[C@H](C)NC(=O)C(C)(C)F 1754257553 FKJPDGLKJXTBAB-VIFPVBQESA-N 302.350 -0.159 30 20 DBED C#CCCNC1(CNC(=O)[C@@H]2CCc3nnnn3CC2)CC1 1754525464 QWYLGZSQDKNQAU-GFCCVEGCSA-N 302.382 -0.113 30 20 DBED C#CCNC1(CNC(=O)[C@H](OC)[C@@H]2CCOC2)CCOCC1 1754738543 BJDCKUOMXKJOKP-ZIAGYGMSSA-N 310.394 -0.074 30 20 DBED C=C/C(C)=C\CC(=O)NCC1(O)CN(CC(=O)NCC#N)C1 1754772403 HPNXBAPFEHCRAR-QCDXTXTGSA-N 306.366 -0.689 30 20 DBED CC#CCN[C@H](C)[C@@H]1CCN(C(=O)c2cn(C)c(=O)nc2O)C1 1754806465 CVOIHKGUYWDVTJ-VXGBXAGGSA-N 318.377 -0.051 30 20 DBED COCC#CCNCCN(CCO)C(=O)c1ccc(C#N)[nH]1 1754880819 PNKULADMKFYMON-UHFFFAOYSA-N 304.350 -0.440 30 20 DBED C#CCNC(=O)CN1CCOC[C@H]1CNC(=O)c1cc[nH]c1C 1754964797 BSMOGOLHNUUWHG-CYBMUJFWSA-N 318.377 -0.497 30 20 DBED Cn1[nH]c(CN2CCC[C@@H](NC(=O)C#CC3CC3)CC2)nc1=O 1755024452 YTTXIDKMAFPFEA-CYBMUJFWSA-N 317.393 -0.008 30 20 DBED C#CCN1CC[C@@H](NC(=O)CN(C)S(C)(=O)=O)C[C@H]1C 1755162737 YPPOKZQTXDCUQH-VXGBXAGGSA-N 301.412 -0.520 30 20 DBED C#CCN[C@@H]1CN(C(=O)CNS(=O)(=O)CC)CC1(C)C 1755757859 SCHFMSAYKIOVRW-LLVKDONJSA-N 301.412 -0.615 30 20 DBED COCC#CCNC[C@@H](O)CN(C)C(=O)[C@H](F)C(F)(F)F 1755779648 NQAAGERTXUNYRN-ZJUUUORDSA-N 314.279 -0.055 30 20 DBED C=CCOCC(=O)N(C)C[C@H](C)NC(=O)[C@@H]1CN(C)CCO1 1756439473 ZVWVBNNLQUGUHS-STQMWFEESA-N 313.398 -0.517 30 20 DBED C=C1CC(C)(C(=O)N[C@@H](CO)CNC(=O)CNC(=O)CC)C1 1756520435 WSVKHIGHBIZKKT-LLVKDONJSA-N 311.382 -0.538 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(C(=O)/C=C\C2CC2)C[C@H]1O 1756996994 BUDYCPXVQZDINN-HLMASZERSA-N 306.362 -0.320 30 20 DBED CN1CCO[C@H](C(=O)N[C@H]2C[C@@H](CNC(=O)C#CC3CC3)C2)C1 1757317826 DPEALKPKBIRREP-ZNMIVQPWSA-N 319.405 -0.259 30 20 DBED N#CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)C(O)O)n[nH]1 1814706440 CFSLUUVMVPASDR-SECBINFHSA-N 307.310 -0.374 30 20 DBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)S)C2)C1 1839810666 LEXBQALZZORSQN-RISCZKNCSA-N 312.391 -0.606 30 20 DBED C=CCCOC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 52746660 VNZRRCXLTQGBRU-UHFFFAOYSA-N 306.322 -0.057 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@H](CN)C[C@@H]2C)C1=O 261688917 IJLQATUOXZIDQC-UWVGGRQHSA-N 308.338 -0.841 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(CC(=O)O)C(C)C)C1=O 262697081 FEBAIZRJCUGDTM-UHFFFAOYSA-N 311.294 -0.715 30 20 DBED CC#CC[C@H](NS(=O)(=O)N(CCOC)CCOC)C(=O)O 274938889 DSDSCXCSQXTNCH-NSHDSACASA-N 322.383 -0.718 30 20 DBED C=C[C@H](CO)NC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C 291232839 KTJIAZBGVZWHLQ-OLZOCXBDSA-N 312.414 -0.225 30 20 DBED COC(=O)C[C@@H](NS(=O)(=O)CC(C)(C)CC#N)C(=O)OC 295963007 MWVHYTPGMNYMPS-SECBINFHSA-N 320.367 -0.050 30 20 DBED CN(C)CCN1CCC(/N=C(/O)N(C)[C@@H]2COC[C@H]2O)CC1 329227953 BLHQRHCPJGNNIW-ZIAGYGMSSA-N 314.430 -0.382 30 20 DBED C[C@H](CN1CCN(C)CC1)/N=C(/O)CN1CCN(C)C(=O)C1 329614626 PGPHLGWUPSWQEJ-CYBMUJFWSA-N 311.430 -0.647 30 20 DBED CN1CCO[C@@H]2CN(/C(O)=N/CC3([S@@](C)=O)CC3)C[C@@H]21 329622258 RSYGSBMYOWQLRC-GLXKHTEVSA-N 301.412 -0.174 30 20 DBED C[C@H]1CS(=O)(=O)CCN1C/C(O)=N/CC(=O)N1CCCC1 329723463 BHIRUDNKXOLDHO-NSHDSACASA-N 317.411 -0.316 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N[C@@H](CO)c1cnn(C)c1 330396474 AWWYOXZZLBPFFT-KOLCDFICSA-N 301.372 -0.478 30 20 DBED CCN1C[C@H](C)N(S(=O)(=O)N2CCO[C@@H](C#N)C2)C[C@H]1C 336949496 RSTLRZMFVCKFKU-AGIUHOORSA-N 316.427 -0.130 30 20 DBED CC(C)N1C[C@H](NS(=O)(=O)N(C)C[C@H](C)C#N)CC1=O 337039687 AANXWYBPQWCFNH-GHMZBOCLSA-N 302.400 -0.078 30 20 DBED CCN1CCN(S(=O)(=O)N(C)C[C@@H](C)C#N)[C@H](C)C1=O 337150954 JKLVFCRGFNXWIA-WDEREUQCSA-N 302.400 -0.125 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC2CCN(C)CC2)C1=O 339638751 PYBSOYABDPFVFE-CYBMUJFWSA-N 322.409 -0.558 30 20 DBED N#Cc1cccc(NC(=O)CN2CC[C@@H](S(N)(=O)=O)C2)c1 339839217 AKODRZXXFWUUAI-GFCCVEGCSA-N 308.363 -0.140 30 20 DBED C=CCCOCCNC(=O)C(=O)N1[C@H]2CC[C@H]1CC(=O)NC2 342003465 LZKNZVMACCZLNE-RYUDHWBXSA-N 309.366 -0.425 30 20 DBED N#Cc1cc(S(=O)(=O)NCCC(=O)NC(N)=O)ccc1F 343607799 KTWIDRXUUFEAMQ-UHFFFAOYSA-N 314.298 -0.439 30 20 DBED CC[C@@H](C)NC(=O)CCNC(=O)NCCn1cnc(C#N)n1 344420187 FRULCHVPZJRCEJ-SNVBAGLBSA-N 307.358 -0.246 30 20 DBED CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)NCCn1cnc(C#N)n1 344618382 VBEITCIBPNYADM-NXEZZACHSA-N 307.358 -0.248 30 20 DBED COC(=O)CN(CC#N)C(=O)CN(C)c1ncnc2[nH]cnc12 348802077 NBGIKWPXBQXNBK-UHFFFAOYSA-N 317.309 -0.686 30 20 DBED Cn1c(=O)c2c(ncn2CC(=O)NCC(C)(C)C#N)n(C)c1=O 359630856 FMQAZBMJZRXPIH-UHFFFAOYSA-N 318.337 -0.900 30 20 DBED COC(=O)Cn1cc(S(=O)(=O)N2CCC(C#N)CC2)cn1 360397843 VOWTZFFPZANMQM-UHFFFAOYSA-N 312.351 -0.020 30 20 DBED C[C@H](C#N)S(=O)(=O)NCC(=O)NCCN1CCCCCC1 416487442 JMEWQSVTQWVEBY-GFCCVEGCSA-N 316.427 -0.190 30 20 DBED CS(=O)(=O)N[C@@H]1CCCC[C@@H]1NC(=O)[C@H](N)CCCC#N 424186446 HLFBYXSTIZKIDI-GRYCIOLGSA-N 316.427 -0.016 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)Cc2cnn(C)c2C)CC1 429915126 XZZXWEWVEABPEF-UHFFFAOYSA-N 319.409 -0.283 30 20 DBED C#CCN(C)CCCNC(=O)N1CC[C@@H](N2CCNCC2)C1 491651651 IAECUVDVTWGCFE-OAHLLOKOSA-N 307.442 -0.369 30 20 DBED N#Cc1ncn(CCNS(=O)(=O)c2cccc(C(=O)O)c2)n1 505831894 JKLJBQVEEQMUKN-UHFFFAOYSA-N 321.318 -0.174 30 20 DBED C=CCCCCCNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 583154531 DHJWVUFIPJATHP-QWHCGFSZSA-N 322.409 -0.381 30 20 DBED CN(Cc1cccc(C#N)c1)C(=O)CNS(=O)(=O)N(C)C 590419515 CXWWSZZRALGPJJ-UHFFFAOYSA-N 310.379 -0.087 30 20 DBED N#Cc1ccc(N2CCC[C@H]2C(=O)NC[C@@H](O)C(N)=O)cc1 597585252 IJXQVRUBBZVJEX-QWHCGFSZSA-N 302.334 -0.511 30 20 DBED C[C@@H]1OCCN(C(=O)C(=O)N2CCN(CCC#N)CC2)[C@H]1C 601458073 LKFJHSNOXZTUKI-STQMWFEESA-N 308.382 -0.320 30 20 DBED CC(C)[C@@H](C#N)N1CCN(CC(=O)N[C@H](C)C(=O)N(C)C)CC1 609539114 SWKAUTLGNNCFCQ-ZIAGYGMSSA-N 323.441 -0.255 30 20 DBED CNS(=O)(=O)[C@@H]1CCN(S(=O)(=O)CCCCC#N)C1 611003264 SJAPNCQFPONFNM-SNVBAGLBSA-N 309.413 -0.366 30 20 DBED C=C[C@H](O)C(=O)NC[C@@H](NS(=O)(=O)N(C)C)C1CCCC1 616206565 NTOMVJAFBHJWKJ-NEPJUHHUSA-N 319.427 -0.396 30 20 DBED N#C[C@H]1CN(S(=O)(=O)N[C@H]2CCN(CC3CC3)C2)CCO1 619709626 SFEKBJLAAMOGHB-STQMWFEESA-N 314.411 -0.471 30 20 DBED CC[C@@H](C#N)OC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 753415117 AENAVTFHNCRWNA-VIFPVBQESA-N 319.321 -0.331 30 20 DBED CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C1CCC1 771889923 MJRKPEQTHNVGKE-UHFFFAOYSA-N 314.367 -0.462 30 20 DBED C#C[C@H](NC(=O)N1CCS(=O)(=O)C[C@@H]1C)[C@H]1CCCO1 773559180 ORIJLHUGVCFVIL-SDDRHHMPSA-N 300.380 -0.004 30 20 DBED C#C[C@@H](NC(=O)CS(=O)(=O)N(CC)CC)[C@@H]1CCCO1 775330018 OQCLWVSTVMVRNX-NEPJUHHUSA-N 302.396 -0.045 30 20 DBED COCCCNC(=O)[C@H](C#N)C(=O)c1cc(C(=O)OC)no1 781448555 OLTPTARXTMJHDV-MRVPVSSYSA-N 309.278 -0.064 30 20 DBED C#CCO[C@H](C)C(=O)NCCN1CCN(c2ncccn2)CC1 822595489 GQAPHWSQCOUDNR-CQSZACIVSA-N 317.393 -0.247 30 20 DBED COC(=O)C[C@@H](NC(=O)C#Cc1ccc2c(c1)OCO2)C(=O)O 831129303 VVNBJONLWDUPSH-SNVBAGLBSA-N 319.269 -0.101 30 20 DBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1[C@@H]2CNC[C@@H]21 834809050 ACAVIIIKVBFDHH-IWIIMEHWSA-N 320.374 -0.941 30 20 DBED CNC(=O)[C@@H](O)CNC[C@H](O)COc1ccc(CC#N)cc1 843111493 SSKRLRYDHUTHAE-JSGCOSHPSA-N 307.350 -0.811 30 20 DBED CC(C)[C@@](C)(C#N)NC(=O)COC(=O)C1(n2cnnn2)CC1 849993557 ADZKQJGWLZGWJD-GFCCVEGCSA-N 306.326 -0.240 30 20 DBED C#CC[C@H](CCOC)NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 863786942 KPKLRSOICWZDDF-UONOGXRCSA-N 309.410 -0.059 30 20 DBED C#Cc1ccc(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)OC)cn1 870358409 ZZFXYTSQHRMKBU-UWVGGRQHSA-N 303.318 -0.141 30 20 DBED CN1C(=O)[C@@H]2CN(CC(=O)NC3(C#N)CCCCC3)C[C@@H]2C1=O 879531042 RFPVAJRJEJZDIJ-TXEJJXNPSA-N 318.377 -0.124 30 20 DBED C=CCCn1cc(C(=O)N2CCN(c3nc[nH]n3)CC2)nn1 898317699 VZCQVVJBFBRJEC-UHFFFAOYSA-N 302.342 -0.065 30 20 DBED N#CCN1CCC(NC(=O)C(=O)NC[C@@H]2CCCCCN2)CC1 911249655 KUWXXUQOCJFDJO-AWEZNQCLSA-N 321.425 -0.261 30 20 DBED Cn1ncc(C(=O)N2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)n1 937844512 JMGCAAHKDVLGHE-JTQLQIEISA-N 313.321 -0.341 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](N(C)C(=O)c2ccc(=O)n(C)n2)C1 939401773 NFMBTVAISRNYDI-GHMZBOCLSA-N 317.349 -0.387 30 20 DBED C[C@@H](C#N)C(=O)N1CCCC[C@H](NC(=O)Cn2ncnn2)C1 943268087 HVPVUPXWAKWKHL-QWRGUYRKSA-N 305.342 -0.670 30 20 DBED Cc1ncc(C(=O)NC[C@H]2CN(C(=O)[C@@H](C)C#N)CCO2)n1C 944733349 JSWQYNQIRBZBET-JQWIXIFHSA-N 319.365 -0.155 30 20 DBED CC#CCN1CC[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)C[C@@H]1C 947983575 CAGNKAYENDSVTQ-GXTWGEPZSA-N 319.409 -0.117 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1cnnn1C 949693924 CHYQZKXCJIPJJV-WZRBSPASSA-N 319.365 -0.263 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)C(N)=O)C1 951857950 BZQFKNZEGOGXLN-TUAOUCFPSA-N 309.366 -0.440 30 20 DBED C[C@@H](C#N)C(=O)N1CC(N(C)C(=O)[C@H](C)N2C(=O)CCC2=O)C1 954490182 LQGYGDKPPNGUPE-UWVGGRQHSA-N 320.349 -0.647 30 20 DBED C[C@@H](C#N)C(=O)N1CC(N(C)C(=O)c2cn3c(n2)COCC3)C1 954657368 YBTXQIOCSHPTJR-JTQLQIEISA-N 317.349 -0.144 30 20 DBED C#CCCN1C[C@H](O)[C@H](CNC(=O)c2noc3c2COCC3)C1 958725324 XKDZMAZTBVNBHK-YPMHNXCESA-N 319.361 -0.207 30 20 DBED Cn1ncc(C(=O)NC[C@H]2CN(CC#N)C[C@@H]2O)c1C1CC1 958750039 ZPXHYKBREHFJBS-AAEUAGOBSA-N 303.366 -0.156 30 20 DBED C#CCCN1C[C@H]2[C@H](NC(=O)C[C@@H]3CCS(=O)(=O)C3)[C@H]2C1 960894785 UTSNHUNUVHGIJG-RMRHIDDWSA-N 310.419 -0.119 30 20 DBED C#CCN1C[C@H]2C(NC(=O)[C@H](C3CC3)N3CCOCC3)[C@@H]2C1 962690333 NQSPRFNAVVTSEX-FMKPAKJESA-N 303.406 -0.223 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@@H](NCCn2cncn2)C1 968956733 WCZCGZBCNMAWAR-CABCVRRESA-N 316.409 -0.434 30 20 DBED Cn1c(O)ncc(C(=O)NC[C@H]2CCCCCN2CC#N)c1=O 968979969 NHTHCXAITGNALU-LLVKDONJSA-N 319.365 -0.016 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)C1CN(Cc2nnn(C)n2)C1 970447537 RLBIAXGMLIVPRZ-UHTWSYAYSA-N 320.397 -0.262 30 20 DBED N#CCN1CCO[C@@]2(CCN(C(=O)C[C@H]3COC(=O)C3)C2)C1 972341211 BOBZKSWEONWPBJ-DOMZBBRYSA-N 307.350 -0.234 30 20 DBED CC#CCN1CCO[C@@]2(CCN(C(=O)CCn3ccnn3)C2)C1 972359282 XFXBKEKKIBTKGC-INIZCTEOSA-N 317.393 -0.005 30 20 DBED NC(=O)C(=O)N1CCC[C@H]2CN(C(=O)C#CC3CC3)CC[C@@H]21 973749786 AZTHKOLPWZZYDD-STQMWFEESA-N 303.362 -0.275 30 20 DBED NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H]1CCCN(C(=O)C#CC2CC2)C1 975541846 QSNMUHZGWVECQT-MJBXVCDLSA-N 317.389 -0.124 30 20 DBED C#CCN[C@H]1CCC[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)C1 981487069 QKJVZVJDVJAAGF-QWHCGFSZSA-N 305.382 -0.460 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](CNC(=O)c2ccc(O)nn2)C1 983212442 FOZAXMFKLNESEY-ZJUUUORDSA-N 303.322 -0.080 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](CN(C)C(=O)c2ncn(C)n2)C1 988283742 HMMVJZMLSGBANU-GHMZBOCLSA-N 304.354 -0.105 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)C2CN(C(C)=O)C2)C1 991042725 ABAGWGVPOAMNLN-KGLIPLIRSA-N 321.377 -0.617 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)[C@@H]3CCNC3=O)C2)nc1 997088333 PTSJOGBNSWLQPY-GFCCVEGCSA-N 312.329 -0.860 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(CNC(=O)c2cnn[nH]2)C1 1003121661 VIASEPVJMCIIEF-YPMHNXCESA-N 319.365 -0.026 30 20 DBED C[C@H](C#N)C(=O)N1CC(CNC(=O)c2cn(C)ccc2=O)C1 1003416641 PUFZLLRQHYPJAY-SNVBAGLBSA-N 302.334 -0.267 30 20 DBED C[C@@H](C#N)C(=O)N1CC(CNC(=O)c2cccc(=O)n2C)C1 1004205889 XYTBPBANUNDDID-JTQLQIEISA-N 302.334 -0.267 30 20 DBED C=C[C@](C)(CC)C(=O)N1CC[C@@]2(CN(C(=O)C(N)=O)CCO2)C1 1007718542 NYFFJFNOJJCYRK-HZPDHXFCSA-N 323.393 -0.096 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](NC(=O)Cn2cnnn2)C(C)(C)C1 1007848281 DYZGLONSJLFWJT-NXEZZACHSA-N 305.342 -0.814 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](NC(=O)c2ncn(C)n2)C(C)(C)C1 1008112507 PBIDSXWLJXVNDD-VHSXEESVSA-N 304.354 -0.058 30 20 DBED COc1ccc(C#N)cc1CN1CC[C@@H](NC(=O)C(N)=O)C1 1015637313 LRVJBIIYBPERAN-GFCCVEGCSA-N 302.334 -0.257 30 20 DBED C#CCN1CCC2(CC1)C[C@H]2NC(=O)C1CC(=O)NC(=O)C1 1016878132 QXCZZSOSECXQBA-GFCCVEGCSA-N 303.362 -0.357 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(C1)CN(C(=O)[C@@H]1CCNC1=O)C2 1019251166 HGCAZFRXWHTESU-WDEREUQCSA-N 304.350 -0.657 30 20 DBED N#Cc1c[nH]c(C(=O)N2C[C@@H]3CC[C@H](NCC(N)=O)[C@H]3C2)c1 1026230105 WKONJROFCPFYMC-SRVKXCTJSA-N 301.350 -0.188 30 20 DBED C#Cc1cncc(C(=O)N2C[C@@H]3CC[C@@H](NCC(N)=O)[C@H]3C2)c1 1026354530 ALRHHMPTBIVIJX-AEGPPILISA-N 312.373 -0.012 30 20 DBED C=CCN(C)[C@H]1CCCN(C(=O)Cn2ccc(=O)n(C)c2=O)C1 1027435025 XIPZRNNIWHZIFK-ZDUSSCGKSA-N 320.393 -0.344 30 20 DBED C#CCN(C)[C@@H]1CCCN(C(=O)CCn2ncn(C)c2=O)C1 1027504389 DAMJJJHPBXCYBO-CYBMUJFWSA-N 305.382 -0.472 30 20 DBED CN(CC#N)[C@@H]1CCCN(C(=O)c2cn(C)c(=O)n(C)c2=O)C1 1027601450 ZXTLVUMKKXFCPV-LLVKDONJSA-N 319.365 -0.856 30 20 DBED N#CCN1CC[C@H](CNC(=O)C2CC3(C2)CS(=O)(=O)C3)C1 1028626048 BLRFWVCFZGNUFB-LLVKDONJSA-N 311.407 -0.227 30 20 DBED CN1CC(=O)N(CC(=O)N2C[C@@H]3CC[C@H](C2)N3CC#N)C1=O 1029577275 KPNHMPHLVRELGI-PHIMTYICSA-N 305.338 -0.921 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN([C@@H]2CCN(CC)C2=O)C1 1030464481 VXKQULRTDJFTBX-LSDHHAIUSA-N 318.421 -0.495 30 20 DBED CN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CCN([C@H]2CCNC2=O)C1 1033017328 HFVHXPHBVCIWSP-YPMHNXCESA-N 301.350 -0.079 30 20 DBED C#CCN1CC[C@H](N(C)C(=O)Cn2nc3ccccn3c2=O)C1 1033311850 JPUINZRNYWXHAF-ZDUSSCGKSA-N 313.361 -0.338 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)c2nc(C)c(C)nc2O)C1 1035415342 MBOOZAPHENSIKV-LBPRGKRZSA-N 304.350 -0.137 30 20 DBED C#CCN1CCO[C@H](CNC(=O)c2cn3c(n2)COCC3)C1 1035418363 CTIBILUEMPIUDK-GFCCVEGCSA-N 304.350 -0.523 30 20 DBED C=C(C)CN1CCO[C@@H](CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 1035508131 OLLQWTOQDVDKCX-RWMBFGLXSA-N 311.382 -0.588 30 20 DBED CC#CCN1CCO[C@@H](CNC(=O)C2CCN(C(N)=O)CC2)C1 1035598903 CLHAZFMZODFLFI-AWEZNQCLSA-N 322.409 -0.383 30 20 DBED CC#CCN1CCO[C@@H](CNC(=O)[C@@H]2CCCS2(=O)=O)C1 1035606128 ADUJZQWUBNXMOY-STQMWFEESA-N 314.407 -0.596 30 20 DBED C#CCNC1C[C@@H]2CCC[C@H](C1)N2C(=O)Cn1c(O)nnc1O 1039310431 ITJIVFMYKMSFAS-YOGCLGLASA-N 319.365 -0.176 30 20 DBED N#CCN1CCC[C@]2(CCN(C(=O)Cn3cnnc3O)C2)C1 1040171425 WIMUFOFLYIHNGT-AWEZNQCLSA-N 304.354 -0.178 30 20 DBED Cc1n[nH]cc1C(=O)NC[C@@]1(O)CCN(C(=O)[C@H](C)C#N)C1 1040464083 NZFZLNYGPAAFNO-OTYXRUKQSA-N 305.338 -0.429 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)Cn3cccn3)C2)cn1 1040924325 JGLVMOFPXIDUKH-ZIAGYGMSSA-N 312.333 -0.484 30 20 DBED C#CCNC(=O)CC(=O)N1CC(O)(CNC(=O)CCCCC)C1 1041487299 SAKFHNJPJUMBNL-UHFFFAOYSA-N 323.393 -0.604 30 20 DBED C=C(C)CN1CC[C@@]2(CCN(C(=O)CN3CCNC(=O)C3)C2)C1 1041539262 GDXRBSQMOZSEQD-QGZVFWFLSA-N 320.437 -0.081 30 20 DBED Cc1c[nH]nc1C(=O)N1CC(O)(CNC(=O)CSCC#N)C1 1041568013 DBXJTZXCPPGJQB-UHFFFAOYSA-N 323.378 -0.722 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)C[C@@H]2COC(=O)C2)C1 1042555214 UOBHGELTUFQUAQ-LBPRGKRZSA-N 322.361 -0.567 30 20 DBED CO[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1NC(=O)[C@@H]1CCCO1 1042749213 PVXNAFAXDLRWIP-FRRDWIJNSA-N 317.349 -0.153 30 20 DBED C=C(C)CCC(=O)N1CC(O)(CNC(=O)c2cc(=O)n(C)o2)C1 1042788034 LTZXVWJLCLHJFY-UHFFFAOYSA-N 323.349 -0.362 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)[C@@H]2CCC2(F)F)C1 1043591681 NXDQCFXSZNHRAS-IUCAKERBSA-N 301.293 -0.119 30 20 DBED N#Cc1nccc(N2C[C@H](O)[C@H](NC(=O)C[C@H]3CCCO3)C2)n1 1043853258 GMTVTHQUELEPCI-UTUOFQBUSA-N 317.349 -0.417 30 20 DBED N#Cc1nccnc1N1C[C@H](O)[C@H](NC(=O)[C@@H]2CC2(F)F)C1 1043927991 XIIZRNHBLPUSLY-SFGNSQDASA-N 309.276 -0.331 30 20 DBED C=C(C)C(C)(C)C(=O)NCC1(O)CN(C(=O)Cc2nc[nH]n2)C1 1044404539 GVVLXWGWUGOTOX-UHFFFAOYSA-N 321.381 -0.361 30 20 DBED C=CCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[C@@H]2C(N)=O)C1 1044444930 WXADNBJCONIHRK-NWDGAFQWSA-N 323.393 -0.456 30 20 DBED C=C[C@@H](C)[C@H](C)C(=O)NCC1(O)CN(C(=O)Cn2cncn2)C1 1044981535 YPAGRUXHKDZLLQ-NEPJUHHUSA-N 321.381 -0.574 30 20 DBED C=CCCO[C@H](C)C(=O)N1CC(O)(CNC(=O)c2cnon2)C1 1045184103 AFLLNOJVZAOVGK-SNVBAGLBSA-N 324.337 -0.646 30 20 DBED COCc1nocc1C(=O)N1CC(O)(CNC(=O)[C@@H](C)C#N)C1 1045545731 BBBFJGQCRZTEMW-VIFPVBQESA-N 322.321 -0.716 30 20 DBED CN1CCN(CC(=O)N2CC[C@H]3CC[C@@H](C2)N3CC#N)CC1=O 1045805768 LZMJFHDWZQUSQJ-KGLIPLIRSA-N 319.409 -0.651 30 20 DBED N#CCN1CC[C@H](N2CCN(C(=O)c3n[nH]cc3F)CC2)C1 1046061249 KJCUQZVQCFPLMZ-NSHDSACASA-N 306.345 -0.096 30 20 DBED C=C1CC(C)(C(=O)NCC2(O)CN(C(=O)[C@H]3COC(=O)N3)C2)C1 1046307418 TXRWOBDOYABDTB-SNVBAGLBSA-N 323.349 -0.859 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)[C@H]2CC[C@@H](C)O2)C1 1047026008 COTAPZWNQHFKKO-FRRDWIJNSA-N 324.377 -0.718 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCC(=O)N2C)C1 1047614293 FTCUXNICPLKQJH-RDBSUJKOSA-N 307.394 -0.476 30 20 DBED C=C(C)CCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CNC(C)=O)C1 1048083947 KAJDVESVBKHILN-STQMWFEESA-N 311.382 -0.491 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC(=O)N2C)C1 1049282852 HEFIERLLBAPMDE-AGIUHOORSA-N 323.393 -0.397 30 20 DBED C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CN(C(C)=O)CCO1 1049872374 VGIUFSIUJZQCCR-XHSDSOJGSA-N 319.405 -0.068 30 20 DBED N#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)CN1C(=O)CCC1=O 1049889049 MVTJIIXALXFNNK-RYUDHWBXSA-N 304.350 -0.276 30 20 DBED C#CCCN1CCOC[C@H]1CNC(=O)[C@H]1CN(C(C)C)CCO1 1051080825 FASWYQRQCDFDEB-HZPDHXFCSA-N 323.437 -0.064 30 20 DBED C=CCN1CCOC[C@@H]1CNC(=O)[C@H]1CCc2nn[nH]c2C1 1051209799 NKIQTDALEUVTMU-RYUDHWBXSA-N 305.382 -0.087 30 20 DBED CC#CCN1CCOC[C@H]1CNC(=O)[C@H]1COCCN1C(C)=O 1051251807 RTAYCWUIVILAPY-HUUCEWRRSA-N 323.393 -0.926 30 20 DBED C[C@H](NC[C@@H]1CN(C(=O)C#CC2CC2)CCO1)c1nnnn1C 1051609198 QLCCIRUCVKDQJN-WCQYABFASA-N 318.381 -0.499 30 20 DBED C=CCCN1CCN([C@@H]2CCN(C(=O)[C@H]3COC(=O)N3)C2)CC1 1052018051 AZBRWUXRMNKDBL-ZIAGYGMSSA-N 322.409 -0.111 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)CCNC(N)=O)C[C@@H]1C 1052572821 PGDSLDVEDKURGM-QWHCGFSZSA-N 322.409 -0.085 30 20 DBED C=CCN1CCC(N2[C@H]3CC[C@H]2CN(C(=O)C(N)=O)C3)CC1 1052990781 NSEOWWZTADLWGI-KBPBESRZSA-N 306.410 -0.203 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)CN3CCCC3=O)CO2)C1 1053733759 DHOZLAJPPJJHRM-ZDUSSCGKSA-N 305.378 -0.408 30 20 DBED C=C(C)CN1CC2(C[C@H](NC(=O)[C@@H]3CC(=O)NC(=O)N3)CO2)C1 1053940576 HOPZZWRZNZRKAS-QWRGUYRKSA-N 322.365 -0.880 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)Cn3nnnc3C(C)C)CO2)C1 1053949520 JFLKSYALMNIHBA-LBPRGKRZSA-N 318.381 -0.611 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)Cc3cncn3C)CO2)C1 1053983464 YZAIXPJTJLRQQX-CYBMUJFWSA-N 302.378 -0.055 30 20 DBED C=CCCC(=O)N1C[C@H]2CN(C(=O)[C@H](C)NC(N)=O)C[C@H]2C1 1055233558 QAOXFEZVXQPIPT-SDDRHHMPSA-N 308.382 -0.074 30 20 DBED N#Cc1ccc(N2CCN(C(=O)CO[C@@H]3CCOC3)CC2)nn1 1055910849 KMLUVHOYQDETQK-CYBMUJFWSA-N 317.349 -0.198 30 20 DBED CN1C[C@H](C(=O)N2CCN(c3cncc(C#N)n3)CC2)NC1=O 1055974465 HPOQQHONAYCEJR-LLVKDONJSA-N 315.337 -0.980 30 20 DBED Cn1cncc1CC(=O)N[C@H]1[C@@H]2CN(c3ccc(C#N)nn3)C[C@@H]21 1056252188 APGXDDIZZMEIFP-VIKVFOODSA-N 323.360 -0.125 30 20 DBED C=CCOCC(=O)N1CCC[C@H]2[C@@H]1CCN2C(=O)CC(N)=O 1056314353 MQTGPCFFSDGBAS-RYUDHWBXSA-N 309.366 -0.344 30 20 DBED CN1CC[C@@H](C(=O)N2CC[C@@H](Nc3ccc(C#N)nn3)C2)C1=O 1056752845 MGOYCMREQFAVBK-VXGBXAGGSA-N 314.349 -0.161 30 20 DBED CN(c1ccc(C#N)nn1)[C@@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 1056910286 PQMLQTDGNMMUNC-GHMZBOCLSA-N 316.321 -0.506 30 20 DBED C=CCCOCC(=O)NCCN(CCO)C(=O)Cn1cccn1 1056968816 QACGESSLUQIJRI-UHFFFAOYSA-N 324.381 -0.587 30 20 DBED CN(c1nccnc1C#N)[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 1057017701 JEHONZVGCRWGFI-KOLCDFICSA-N 315.337 -0.933 30 20 DBED C#CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)c1conc1C 1057584925 RYWZXZVRGDWNBH-LBPRGKRZSA-N 323.349 -0.428 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1CCCN(C(=O)[C@H]2CCNC2=O)C1 1057724515 HXOOIELVMOINMM-STQMWFEESA-N 313.361 -0.086 30 20 DBED N#Cc1ccc(N2CC[C@H](NC(=O)[C@H]3CCCC(=O)N3)C2)nn1 1058472737 GBONUAFYSLQYSQ-NWDGAFQWSA-N 314.349 -0.288 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)CC[C@@H]1CCOC1 1058653458 VXZYTGOOIHCKIH-CHWSQXEVSA-N 311.382 -0.100 30 20 DBED CN1CCO[C@@H](C(=O)N[C@H]2C[C@H](Nc3nccnc3C#N)C2)C1 1059170614 IUIZJRRVMIHMHQ-NQBHXWOUSA-N 316.365 -0.262 30 20 DBED N#Cc1cncc(N[C@H]2C[C@H](NC(=O)[C@H]3CNC(=O)N3)C2)n1 1059392179 UCWKMIAJPIRPHU-NQMVMOMDSA-N 301.310 -0.911 30 20 DBED N#Cc1ccc(N2CCC[C@H]2CNC(=O)[C@H]2CCC(=O)N2)nn1 1061327267 GBAFGZRDNBKCAK-NWDGAFQWSA-N 314.349 -0.288 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCOC[C@@H]1CNC(=O)c1cocn1 1061419739 OUVZTGHBWLYQSR-NHYWBVRUSA-N 323.349 -0.041 30 20 DBED N#Cc1ccc(N2CC[C@@H](CNC(=O)[C@@H]3CCC(=O)N3)C2)nn1 1061627236 PROMJMOJQVMWOR-JQWIXIFHSA-N 314.349 -0.431 30 20 DBED C=CCCOCC(=O)NC[C@@H]1COCCN1C(=O)CCOC 1061667127 ZNHKMDLUIQWKRJ-CYBMUJFWSA-N 314.382 -0.041 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)Cc1cnoc1 1061801081 PHENDHNMBDNWTL-ZYHUDNBSSA-N 306.322 -0.280 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H]1CCCCN1C(=O)CNC(C)=O 1061976046 HRIXPQBZRDDHMA-TZMCWYRMSA-N 323.393 -0.342 30 20 DBED C#CCNC(=O)CC(=O)N1CCCC[C@@H]1CNC(=O)[C@@H](C)C#N 1062140726 SHRZFLOHDQIZND-QWHCGFSZSA-N 318.377 -0.217 30 20 DBED Cn1nncc1C(=O)NCC1(NC(=O)C#CC2CC2)CCC1 1062897282 ZSPTWAXBQOXJOD-UHFFFAOYSA-N 301.350 -0.003 30 20 DBED CN(C(=O)[C@@H]1CNC(=O)N1)[C@H]1CCN(c2ccnc(C#N)n2)C1 1063024821 IOJRFZOMCQJJCB-UWVGGRQHSA-N 315.337 -0.933 30 20 DBED CCn1ncc(C(=O)N[C@H]2[C@H]3C[C@H]2N(c2ccnc(C#N)n2)C3)n1 1064246588 QYCUVZIPBOUOGU-PXWWUCIGSA-N 324.348 -0.033 30 20 DBED CCOCC(=O)N1CCO[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 1064801526 CIAIYZLTNDOEKO-LBPRGKRZSA-N 320.349 -0.120 30 20 DBED COCC(=O)NC[C@H]1CN(C(=O)CSCC#N)CCO1 1064881191 PFUYWPYELZEBPY-JTQLQIEISA-N 301.368 -0.767 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)[C@H]2CCC(=O)N2)CCO1 1064973713 CGYOJMAQPPCUQU-QWHCGFSZSA-N 321.377 -0.732 30 20 DBED C=C(C)CCC(=O)NC[C@H]1CN(C(=O)[C@H]2CCC(=O)N2)CCO1 1064973795 DTLBBCFCRDMYOC-QWHCGFSZSA-N 323.393 -0.035 30 20 DBED Cn1nnc(C(=O)N2CCC[C@H]2CNc2nccnc2C#N)n1 1064989650 MGQYFJCGYMKVGS-VIFPVBQESA-N 313.325 -0.412 30 20 DBED C=CCC(CC=C)C(=O)NC[C@H]1CN(C(=O)CC(N)=O)CCO1 1064999618 ZHYYZSXGNZLIEM-ZDUSSCGKSA-N 323.393 -0.026 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CN(C(=O)c2cc(=O)n(C)o2)CCO1 1065087574 RAUTWDHYSUAIGZ-VHSXEESVSA-N 322.321 -0.905 30 20 DBED C#CCCCC(=O)N1CCO[C@H](CNC(=O)c2cnon2)C1 1065096051 VBDUPNAGBHVBEJ-LLVKDONJSA-N 306.322 -0.170 30 20 DBED Cc1ccc(C(=O)N2CCO[C@H](CNC(=O)[C@@H](C)C#N)C2)nn1 1065138911 ZHJRNJNCZQAPFM-CMPLNLGQSA-N 317.349 -0.098 30 20 DBED C#CCC1(C(=O)N2CCO[C@@H](CNC(=O)C(N)=O)C2)CCC1 1065230675 IYAOVEYCVINYBQ-NSHDSACASA-N 307.350 -0.991 30 20 DBED C=CCCCC(=O)N1CCN([C@H]2CCN(C(=O)C(N)=O)C2)CC1 1065712206 VIQIDNPGMUNWBN-ZDUSSCGKSA-N 322.409 -0.427 30 20 DBED C[C@H](C#N)C(=O)N(C)CCCN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 1068060102 BOZFMRFQYNBZSA-GRYCIOLGSA-N 324.381 -0.514 30 20 DBED C=C[C@](C)(CC)C(=O)NC[C@H]1CCC2(CN(C(=O)C(N)=O)C2)O1 1068623792 DXZBMSQRWJUXTB-IAQYHMDHSA-N 323.393 -0.050 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC(CC)(NC(=O)C(N)=O)CC1 1069374396 LBUDVQXJXWYHKC-NSHDSACASA-N 309.366 -0.603 30 20 DBED C#CCNC(=O)CC(=O)NC1(CNC(=O)C2CC2)CCOCC1 1070082955 QSCFHJQKNGXGDE-UHFFFAOYSA-N 321.377 -0.683 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CCOC2)C1 1070509344 YUTIWFQXNBAOTP-CHWSQXEVSA-N 321.377 -0.730 30 20 DBED C#CCCN1C[C@H]2C[C@@H]3CN(C(=O)[C@@H]4COCCO4)C[C@@]3(C1)O2 1070767100 QAGGSQXFUBYEIO-PNBKFKSVSA-N 320.389 -0.273 30 20 DBED N#CCN1CCNC(=O)CCN(C(=O)C2=CCOCC2)CC1 1070958669 MNUSAWYYJRYOSI-UHFFFAOYSA-N 306.366 -0.493 30 20 DBED C=CCOCC(=O)N[C@@H]1CCCN(C(=O)C[C@H]2CCC(=O)N2)C1 1070969966 MRVIFIMVMNEWPA-CHWSQXEVSA-N 323.393 -0.035 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)c2cn(CC)cn2)CC1 1071015826 VNQDHRQQSAFFPU-UHFFFAOYSA-N 317.393 -0.200 30 20 DBED C#CCCN1CCN([C@H]2CCCN(C(=O)COC)C2)C(=O)C1 1071252324 YDESBQLURPQYFT-AWEZNQCLSA-N 307.394 -0.209 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CN(C(=O)c2ccoc2)C[C@H]1C 1071590354 DYFVMVBNISMOGQ-YPMHNXCESA-N 317.345 -0.004 30 20 DBED C=CCCN1C[C@@H](NC(=O)c2cn(CC(N)=O)nn2)CC[C@@H]1C 1072099849 YDTXJJVDRVQATN-RYUDHWBXSA-N 320.397 -0.078 30 20 DBED CNC(=O)NCC(=O)N1C[C@H](C)[C@@H](NC(=O)C#CC(C)(C)C)C1 1072268663 QPIPYLXLIZRZLE-RYUDHWBXSA-N 322.409 -0.072 30 20 DBED N#CCN1CCC2(C1)CN(C(=O)CCc1nnc(O)nc1O)C2 1072894241 HQSDNNAQLGHTSV-UHFFFAOYSA-N 318.337 -0.727 30 20 DBED Cn1cccc(C(=O)NC[C@H]2CN(CC#N)CCCO2)c1=O 1073859983 YOGYZIQKAXLTCC-LBPRGKRZSA-N 304.350 -0.270 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)c3cc4n(n3)CCO4)C[C@@H]21 1074266232 HBEYSQOBBHRPKR-KBPBESRZSA-N 316.361 -0.176 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@H]3CN([C@H]4CCNC4=O)C[C@H]32)c1 1075658710 POJXPTUIIHIDHW-FPMFFAJLSA-N 313.361 -0.079 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC[C@H](C)NC(=O)Cn1ncnn1 1076304944 JGMSJWXUSCZCAZ-GXFFZTMASA-N 310.358 -0.989 30 20 DBED C#CCOCCC(=O)NCC[C@H](C)NC(=O)[C@@H]1CCNC(=O)C1 1076503920 CJAPJHMEJABGSO-QWHCGFSZSA-N 323.393 -0.437 30 20 DBED C#CCOCCC(=O)NCC[C@H](C)NC(=O)[C@]1(C)CCC(=O)N1 1076505229 MJNNKHYEFTVMGF-LRDDRELGSA-N 323.393 -0.294 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCCS2(=O)=O)C1 1077121221 MJSZWRHETHRQNQ-IJLUTSLNSA-N 302.396 -0.699 30 20 DBED CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)C[C@H]2CCC(=O)N2)C1 1080412589 BVRBEQPFACDFFV-WDEREUQCSA-N 306.366 -0.126 30 20 DBED C#CCC1(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)COC)C2)CCC1 1081185489 CMKZJCYUOCUOCL-QWHCGFSZSA-N 308.378 -0.238 30 20 DBED C=CCOCC(=O)N1C[C@H](CNC(=O)c2ncoc2C)[C@@H](O)C1 1081312289 AHZIKRXJTXJEQK-RYUDHWBXSA-N 323.349 -0.265 30 20 DBED CN(C)CCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C#CC2CC2)C1 1081470814 GGDQDEWKFJARTC-LSDHHAIUSA-N 321.421 -0.323 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@H]1CCCN(C(C)=O)C1 1081914453 QAOCZHOTCTVRRG-BFHYXJOUSA-N 308.382 -0.416 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCCCN2C(=O)CC)C1 1083484728 WOUHOJGWCOGPOX-ILXRZTDVSA-N 321.421 -0.038 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCCN(C(C)=O)C2)C1 1083617442 MMEXQKBIQFZBNM-KFWWJZLASA-N 309.410 -0.018 30 20 DBED CC(=O)N1CCCC[C@@H]1CC(=O)N[C@@H]1CN(CC#N)C[C@@H]1O 1083855072 UHRPNPUQFWATMA-MCIONIFRSA-N 308.382 -0.538 30 20 DBED C#CCN1CC[C@H](NC(=O)c2ccc3c(c2)NC(=O)C3)[C@H](O)C1 1090278129 BCOMKGUTOLRVLP-DZGCQCFKSA-N 313.357 -0.021 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2cc(=O)c(OC)co2)[C@@H](O)C1 1090432527 LIBKQBKEAGUZJR-AAEUAGOBSA-N 320.345 -0.163 30 20 DBED C#CCN1CC[C@@H](NC(=O)Cc2cc(CC)nn2C)[C@@H](O)C1 1090445077 MDYMPNHZPBAAJY-CABCVRRESA-N 304.394 -0.290 30 20 DBED C=CCCN1CC[C@@H](NC(=O)c2ccc(C(N)=O)cn2)[C@@H](O)C1 1090844813 UKJHCDVTLRKSIS-OCCSQVGLSA-N 318.377 -0.078 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@H]2CN(c3ccnc(C#N)n3)C[C@H]12 1093265231 BDKPYCBTBFDPGT-QWRGUYRKSA-N 324.344 -0.961 30 20 DBED COC[C@@H](OC)C(=O)N[C@H]1[C@@H]2CN(c3ccc(C#N)nn3)C[C@@H]21 1093344831 KVNOWZNRBUXBSF-CZXHOFHRSA-N 317.349 -0.440 30 20 DBED N#CCN1CC(OC2CCN(C(=O)CCn3cnnn3)CC2)C1 1093588491 OFRVRLKSOJDISZ-UHFFFAOYSA-N 319.369 -0.721 30 20 DBED C[C@@H](CN1CCOCC1)C(=O)NCCNc1cncc(C#N)n1 1093643481 ODJOORNGOMDPGW-LBPRGKRZSA-N 318.381 -0.155 30 20 DBED Cn1cc(C(=O)NCCNc2nccnc2C#N)n(C)c1=O 1093684094 RDZQHCGNYAFWDZ-UHFFFAOYSA-N 301.310 -0.773 30 20 DBED N#Cc1nc(=NCCNC(=O)[C@H]2CCc3cncn3C2)cc[nH]1 1093957795 LEGZJEAUQPQRFF-NSHDSACASA-N 311.349 -0.243 30 20 DBED Cn1nnc2c(C(=O)NCCNc3ccc(C#N)nn3)ccnc21 1094072886 RCCKBKKVGCZEBT-UHFFFAOYSA-N 323.320 -0.133 30 20 DBED CC#CCN1CC(N2C[C@@H](NC(=O)C[C@@H]3CCCO3)CC2=O)C1 1094710859 XQARZJXBVYPRMI-ZFWWWQNUSA-N 319.405 -0.020 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)[C@H]3CCCN3C)CC2=O)C1 1094713568 DDNXOVJFHNJNLU-TZMCWYRMSA-N 306.410 -0.332 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)c3oc(C)nc3C)CC2=O)C1 1094716083 VIQSHVCSJTXDEM-LBPRGKRZSA-N 316.361 -0.060 30 20 DBED C[C@@]1(C(=O)NCCCN=c2cc[nH]cc2C#N)CCNC1=O 1094781072 PTMWZFSUGIAJJJ-HNNXBMFYSA-N 301.350 -0.180 30 20 DBED CNC(=O)CC(=O)NC[C@H]1CCCCN1c1ccc(C#N)nn1 1097421391 KOZBIPJWODGZPD-GFCCVEGCSA-N 316.365 -0.041 30 20 DBED CC1(C)C(=O)NC(=O)N1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC#N 1098158754 XEBRXFSDNNWRKD-MXWKQRLJSA-N 319.365 -0.438 30 20 DBED C[C@H](CNC(=O)[C@@H]1CCN(C)C1=O)Nc1nccnc1C#N 1098193578 GOIJNRPRHASEEJ-ZJUUUORDSA-N 302.338 -0.257 30 20 DBED C[C@H](CNC(=O)[C@@]1(C)CCNC1=O)Nc1ccc(C#N)nn1 1098261918 VHPSMAQUWCTKNH-OTYXRUKQSA-N 302.338 -0.209 30 20 DBED C[C@H](NC1CC(CNC(=O)C#CC2CC2)C1)C(=O)NC(N)=O 1100316136 VQKDUBWCNOSUSU-GCVQQVDUSA-N 306.366 -0.532 30 20 DBED COC(=O)NCC(=O)NC[C@@H]1CCN(c2ccc(C#N)nn2)C1 1100947998 HAMORTSCKRHYCA-JTQLQIEISA-N 318.337 -0.353 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H]1CCN(c2cc(F)ncn2)C1 1100973885 KJGNYDVABNCBQB-NSHDSACASA-N 319.340 -0.302 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CN(C(=O)[C@H]3CCCO3)C[C@]2(C)C1 1101114243 YSRDCRSHPIKQLF-CPUCHLNUSA-N 319.405 -0.305 30 20 DBED CN(CCNc1ncc(C#N)cc1F)C(=O)[C@H]1CNC(=O)N1 1101921447 QNNMKLYGBOGZIR-SNVBAGLBSA-N 306.301 -0.356 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)CN(CC)CC)C1 1102473925 WQGPWYNMDSXREI-HUUCEWRRSA-N 322.453 -0.238 30 20 DBED N#Cc1cnccc1N1C[C@@H]2C[C@H]1CN2C(=O)CCNC(N)=O 1102551165 CEWZZRHHQGSPII-RYUDHWBXSA-N 314.349 -0.199 30 20 DBED CNC(=O)CC(=O)N(C)[C@@H]1CCN(c2cnc(C#N)cn2)C1 1102698186 XLJHOSWAYSTOHY-LLVKDONJSA-N 302.338 -0.479 30 20 DBED N#Cc1cnc(N2CCC[C@@H](CCNC(=O)C(N)=O)C2)cn1 1102942520 YCAQRXUZARWRLM-JTQLQIEISA-N 302.338 -0.444 30 20 DBED CC[C@H](CNC(=O)[C@H]1CN(C)C(=O)N1)N=c1cc[nH]c(C#N)n1 1103261738 RUYNTMPTDPVYKA-NXEZZACHSA-N 317.353 -0.900 30 20 DBED COCCC(=O)NC[C@H]1CN(c2cnc(C#N)cn2)CCO1 1104284801 ODGKNZPQJGVWFJ-LBPRGKRZSA-N 305.338 -0.294 30 20 DBED C[C@@H](CNc1cnc(C#N)cn1)N(C)C(=O)[C@@H]1CN(C)C(=O)N1 1104767081 YWPWIMMQOLMSMX-ONGXEEELSA-N 317.353 -0.369 30 20 DBED N#CCNCc1cn(C2CN(C(=O)C[C@@H]3CCOC3)C2)nn1 1105197584 ZEQMITOWHJNVLY-NSHDSACASA-N 304.354 -0.299 30 20 DBED C=CCO[C@H](C)C(=O)NC[C@@H](O)CNc1cc(C)nc(CO)n1 1105892241 SPYUNTLFOKITDX-NEPJUHHUSA-N 324.381 -0.243 30 20 DBED Cn1ncc(C(=O)NC[C@@H](O)CNc2ncccc2C#N)n1 1105897687 FXKQBSUHDHCPLZ-JTQLQIEISA-N 301.310 -0.715 30 20 DBED C=CC(C)(C)C(=O)NC[C@H](O)CNc1ccc2nnnn2n1 1106052263 WOVMEQODMXGXCA-SECBINFHSA-N 305.342 -0.380 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H](O)CNC(=O)c1n[nH]cc1F 1106083732 SFCCYVIQTBODLR-SECBINFHSA-N 304.285 -0.560 30 20 DBED CCC(=O)N[C@H](C)C(=O)NC[C@H](O)CNc1cnc(C#N)cn1 1106141014 ULJXDAHCAOPCTB-MWLCHTKSSA-N 320.353 -0.848 30 20 DBED C[C@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)[C@H]1COC(=O)N1 1106312667 CHOXIJVWAZUWEA-RKDXNWHRSA-N 304.310 -0.815 30 20 DBED CCN(CCNc1ccc(C#N)nn1)C(=O)C1CS(=O)(=O)C1 1106849880 UWJWSJXLDKHVSM-UHFFFAOYSA-N 323.378 -0.347 30 20 DBED N#CCN1CC[C@@]2(CNC(=O)Cn3cnnc3O)CCC[C@@H]12 1107376048 AHJXBWISHIMDCW-BXUZGUMPSA-N 304.354 -0.132 30 20 DBED C[C@H](CNc1cnc(C#N)cn1)NC(=O)[C@H]1CCNC(=O)C1 1107687001 NSXNXEYOIYRWBL-ZJUUUORDSA-N 302.338 -0.209 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)[C@@H](F)C(F)(F)F)CC2=O)C1 1108548253 IHCXTLCQPNZZIO-LDYMZIIASA-N 321.274 -0.079 30 20 DBED CN(C)CC1(C(=O)N[C@H]2CC(=O)N(C3CN(CC#N)C3)C2)CC1 1108566948 RJGJLMDQZDPLME-LBPRGKRZSA-N 319.409 -0.747 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)[C@@H](C(C)C)N(C)C)CC2=O)C1 1108572101 MEPFEDMLKNODLK-CZUORRHYSA-N 320.437 -0.393 30 20 DBED C[C@H](CN(C)c1nccnc1C#N)NC(=O)CN1CCOCC1 1108904230 UWHLDOHABBRQQA-GFCCVEGCSA-N 318.381 -0.379 30 20 DBED C[C@@H](CN(C)c1ccnc(C#N)n1)NC(=O)Cn1cncn1 1108960837 UFMINEUEDOFECB-JTQLQIEISA-N 300.326 -0.419 30 20 DBED CN(CCCNc1nccnc1C#N)C(=O)[C@H]1CCNC1=O 1109578626 KAMXFTUQZVKEET-JTQLQIEISA-N 302.338 -0.255 30 20 DBED N#Cc1cnc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)CCc2cnn[nH]2)cn1 1109741479 HVIULOJRRCBEJC-LYSGOOTNSA-N 324.348 -0.208 30 20 DBED Cn1nnc(C(=O)N[C@H](CNc2ccc(C#N)nn2)C2CC2)n1 1109967175 OYNWMHGEMIJNNH-SNVBAGLBSA-N 313.325 -0.508 30 20 DBED CNC(=O)NCC(=O)N[C@H](CNc1cncc(C#N)n1)C1CC1 1110005552 VSTQAOKQRWLNSB-LLVKDONJSA-N 317.353 -0.416 30 20 DBED CNC(=O)NCC(=O)N[C@@]1(C)CCN(c2ccc(C#N)nn2)C1 1110822217 DISXJXMVBVTDJY-AWEZNQCLSA-N 317.353 -0.638 30 20 DBED Cc1cc(C#N)nc(N2CCC(C)(CNC(=O)C(N)=O)CC2)n1 1110892707 IXNMVTXSLIDOLS-UHFFFAOYSA-N 316.365 -0.135 30 20 DBED N#Cc1nccc(N2CC[C@@](O)(CNC(=O)c3cnco3)C2)n1 1111121499 GUXWQNNSKWCUBJ-CQSZACIVSA-N 314.305 -0.293 30 20 DBED N#Cc1ccc(NCCN(CCO)C(=O)[C@H]2COCCO2)nc1 1111425612 PYWGRLGPHACGFJ-CYBMUJFWSA-N 320.349 -0.399 30 20 DBED CC[C@H](C(=O)N(CCO)CCN=c1cc[nH]c(C#N)n1)N(C)C 1111492472 AHPMLSLGCTULGZ-GFCCVEGCSA-N 320.397 -0.657 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H]2CCC[C@]2(CNCCOC)C1 1112312639 YNYIOJXNPWIIFB-YOEHRIQHSA-N 321.421 -0.009 30 20 DBED C[C@H](N=c1cc[nH]c(C#N)n1)[C@H](C)NC(=O)CNC(=O)C1CC1 1112962122 BWKQGKVLFCSGAN-UWVGGRQHSA-N 316.365 -0.399 30 20 DBED CO[C@H]1CC[C@@H](C(=O)N2CCN(CC(=O)NCC#N)CC2)C1 1113046911 OODWVIGFYMFCLL-OLZOCXBDSA-N 308.382 -0.415 30 20 DBED C[C@H](CNC(=O)Cc1nc[nH]n1)N(C)c1ccc(C#N)nn1 1113714132 HAPXVCRYMWXZLF-SECBINFHSA-N 300.326 -0.350 30 20 DBED C#CCOCCC(=O)N[C@H]1[C@@H]2CN(Cc3n[nH]c(C)n3)C[C@@H]21 1114268033 DRYOZLBKDGIWKT-JYAVWHMHSA-N 303.366 -0.301 30 20 DBED C=CCOCCN1C[C@H]2[C@H](NC(=O)[C@]3(C)CCNC3=O)[C@H]2C1 1114826759 QTCMCPAAKJPOFO-LMOYCYGVSA-N 307.394 -0.238 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)Cc3nc[nH]n3)[C@H]2C1 1115098162 AVUAASVKVRFIOX-KZWBYHQPSA-N 318.381 -0.916 30 20 DBED Cc1c(C(=O)N(C)C[C@@H](C)N=c2cc[nH]c(C#N)n2)nnn1C 1115667627 NPZLSUSGGLPKIX-SECBINFHSA-N 314.353 -0.220 30 20 DBED C#CCOCCNC(=O)C(=O)NCc1cccnc1OCC 1117011445 SGKJTTLFEQCEAB-UHFFFAOYSA-N 305.334 -0.138 30 20 DBED C#CCSCCNC(=O)C(=O)NCCCO[C@@H]1CCOC1 1117412235 QXSJCGBNNLXGGE-GFCCVEGCSA-N 314.407 -0.219 30 20 DBED Cc1ncncc1C(=O)NC[C@@H](CO)N=c1cc[nH]cc1C#N 1121086303 QLUOUZCBTOESGU-LBPRGKRZSA-N 312.333 -0.324 30 20 DBED Cc1cnn(CC(=O)NC[C@H](CO)Nc2nccnc2C#N)c1 1121158086 LFELTCWBQUCAGC-LLVKDONJSA-N 315.337 -0.558 30 20 DBED Cc1ocnc1C(=O)NC[C@@H](CO)Nc1ccc(C#N)nn1 1121164948 IFVHDHBOHWZGFW-JTQLQIEISA-N 302.294 -0.153 30 20 DBED N#Cc1cnc(N[C@@H](CO)CNC(=O)Cc2cc[nH]n2)c(F)c1 1121398290 GYGSMHFBKFJBLK-LLVKDONJSA-N 318.312 -0.053 30 20 DBED CN(C)CCCCC(=O)NC[C@H](CO)Nc1ccc(C#N)nn1 1121848040 UGZQLTJMNMCOOI-CYBMUJFWSA-N 320.397 -0.031 30 20 DBED Cc1cnoc1C(=O)NC[C@@H](CO)Nc1cnc(C#N)cn1 1122004535 WHINSCOLMNBNAM-JTQLQIEISA-N 302.294 -0.153 30 20 DBED C#CCO[C@H](C)C(=O)OCc1cn([C@@H]2COC[C@H]2OC)nn1 1123381546 FETYXCZITQPHQM-RAIGVLPGSA-N 309.322 -0.054 30 20 DBED CC(=O)N(C)CC(=O)N(C)C[C@H](O)CNc1ccc(C#N)cn1 1124111204 DFKGNRJZGMZMGU-CYBMUJFWSA-N 319.365 -0.337 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)[C@H]1CCOC1 1124141383 TUUCSNAKKHMITI-WDEREUQCSA-N 305.338 -0.962 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)c1cncnc1 1124329493 KLUATAZWVZUHLI-LLVKDONJSA-N 313.321 -0.895 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]cc1C#N)C(=O)Cc1ncc[nH]1 1124483447 KPOKRTNCQNFEND-LBPRGKRZSA-N 314.349 -0.428 30 20 DBED CN(C[C@H](O)CN(C)c1cncc(C#N)n1)C(=O)c1nc[nH]n1 1125139200 HAIPGABINLWORS-SNVBAGLBSA-N 316.325 -0.964 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)CC1(O)CCC1 1126848555 WCXBMGPNTDJNKO-UHFFFAOYSA-N 310.398 -0.241 30 20 DBED CC(C)(C)C#CC(=O)NCCNC[C@@H](O)CN1C(=O)CCC1=O 1126916299 SLHJWUKLJCHNCT-GFCCVEGCSA-N 323.393 -0.748 30 20 DBED C#CCOCCC(=O)NCCNCc1cn(CC2CC2)nn1 1127031407 BBNCZZPNBGQEPS-UHFFFAOYSA-N 305.382 -0.066 30 20 DBED C#CCO[C@H](C)C(=O)NCCN[C@H](C)C(=O)Nc1ncccn1 1127046654 UGFLGZQBTAPHPZ-VXGBXAGGSA-N 319.365 -0.452 30 20 DBED C#CCO[C@@H](C)C(=O)NCCNCC(=O)Nc1c(C)n[nH]c1C 1127051276 FCLVNUBSOHXSQT-LBPRGKRZSA-N 321.381 -0.291 30 20 DBED CN(C(=O)C1(C(N)=O)CC1)C1CC(N=c2cc[nH]c(C#N)n2)C1 1127080416 QSGLLTIHHKUHIW-UHFFFAOYSA-N 314.349 -0.563 30 20 DBED C=CCCOCC(=O)NCc1cnn2c1CN(CC(N)=O)CC2 1128602581 NVOKBBPLSNVKNG-UHFFFAOYSA-N 321.381 -0.607 30 20 DBED CCN(C)CCC(=O)N1C[C@H](n2ccnn2)[C@H](NCC#N)C1 1130079666 VBBUFKXTKHTGAB-OLZOCXBDSA-N 305.386 -0.515 30 20 DBED CCNC(=O)CC(=O)N1C[C@@H](C)O[C@]2(CCN(CC#N)C2)C1 1131654242 YPMGMGMCLBLWMQ-DOMZBBRYSA-N 308.382 -0.272 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)c1[nH]nnc1C 1132229385 KHNKRWXNCUGYEQ-UHFFFAOYSA-N 307.358 -0.805 30 20 DBED COCC#CCNCCNC(=O)[C@H]1CCc2cnn(C)c2C1 1132900267 AOOQECPSLHOQME-ZDUSSCGKSA-N 304.394 -0.119 30 20 DBED C=CCCCC(=O)NCCNCC(=O)N[C@@H](C)C(=O)N(C)C 1133157806 RDLBBVORUNVROQ-LBPRGKRZSA-N 312.414 -0.359 30 20 DBED C[C@@H]1CCN(C(=O)c2ccc(=O)n(C)n2)C[C@H]1CNCC#N 1133292163 BUBYMFIIWIDLKU-VXGBXAGGSA-N 303.366 -0.008 30 20 DBED C#CCNC[C@H]1CN(C(=O)CN2C(=O)CCC2=O)CC[C@@H]1C 1133300983 BPLGFWYCKUWJAC-STQMWFEESA-N 305.378 -0.157 30 20 DBED C#CCOCCC(=O)N[C@H](C)C[C@@H](C)NCC(=O)NC(N)=O 1134352371 QCSZCZUHLMDJHA-GHMZBOCLSA-N 312.370 -0.906 30 20 DBED CN(C)c1cc(C(=O)NCCNCC(=O)NCC#N)ccn1 1134596305 DCSAUWVBSQRNRF-UHFFFAOYSA-N 304.354 -0.893 30 20 DBED N#CCNC(=O)CNCCNC(=O)[C@@H]1CCOc2ccccc21 1135393344 GNFLMYYPGMIUTI-CYBMUJFWSA-N 316.361 -0.102 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@@H](C(C)C)N(CC)CC 1135474473 QVUHAVYLGNEGPI-OAHLLOKOSA-N 310.442 -0.192 30 20 DBED C=CCNC(=O)CNCCNC(=O)C1(N2CCOCC2)CCC1 1136106075 VWEUREUDTXBQPF-UHFFFAOYSA-N 324.425 -0.751 30 20 DBED C#CCOc1ncccc1C(=O)NCCNCC(=O)NCC=C 1148302763 VZEGHIIRVXQSGD-UHFFFAOYSA-N 316.361 -0.285 30 20 DBED C#CCNC(=O)CN1CCCO[C@@H](CNC(=O)/C(C)=C\C)C1 1149506223 VDTQLNIQFDDOCK-UUSOHVMFSA-N 307.394 -0.091 30 20 DBED CN1C(=O)CC[C@@H]1CC(=O)NC[C@H]1CN(CC#N)CCCO1 1150078067 GKFJCVQRPCPYLI-OLZOCXBDSA-N 308.382 -0.272 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@H]1CCCN1C(=O)C(C)C 1151455110 DRUWMICPOAXTRS-CYBMUJFWSA-N 322.409 -0.911 30 20 DBED C#CCN1CCC(C(=O)NCCN[C@H](C)c2nncn2C)CC1 1152329858 CKQHHIJKMVKNRN-CYBMUJFWSA-N 318.425 -0.073 30 20 DBED C=CCOCC(=O)NC[C@@H](C)N(CC)CCNS(C)(=O)=O 1152378553 DOGLSDHVNDFYGX-GFCCVEGCSA-N 321.443 -0.435 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)[C@H]2CCCN2C(C)=O)C1=O 1152788579 BLVIWWQYYAXVNR-UONOGXRCSA-N 322.409 -0.510 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)c1cc(C)nn1C 1155219202 IRKUEVHFIUFBDB-LBPRGKRZSA-N 305.382 -0.424 30 20 DBED C[C@H](C#N)C(=O)NCCCNC[C@H]1CCN(S(C)(=O)=O)C1 1155841912 JGZKFMGTXMYQDU-VXGBXAGGSA-N 316.427 -0.477 30 20 DBED C=CCOCCCC(=O)NCCCN[C@H]1CCC(=O)NC1=O 1156160282 PYLNMYGRPBHCTO-LBPRGKRZSA-N 311.382 -0.130 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)Cc1ccnn1C 1157236821 KJOSYLBSALYIMZ-GFCCVEGCSA-N 305.382 -0.804 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1cc(=O)c(OC)co1 1162578396 MLXIRBJMCXUHAI-UHFFFAOYSA-N 321.333 -0.893 30 20 DBED COCC1(CNC(=O)[C@@H]2CCC(=O)N2)CCN(CC#N)CC1 1162585755 QNKLGERUCXKTRW-LBPRGKRZSA-N 308.382 -0.367 30 20 DBED CC(C)N(C)CC(=O)NCCC1(CNCC(=O)NCC#N)CC1 1168320646 IFULOEWPCODUQU-UHFFFAOYSA-N 323.441 -0.158 30 20 DBED C#CCOCCC(=O)N1CC[C@@H]2OCCN(CCCO)[C@H]2C1 1177011349 BIUKIVPKPCIETJ-GJZGRUSLSA-N 310.394 -0.290 30 20 DBED C=C(Cl)CN[C@@H]1CCN(C(=O)CNC(=O)CNC(C)=O)C1 1183722001 NVRIWPYIKGPVLL-LLVKDONJSA-N 316.789 -0.818 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2ccnnc2)C1 1185881769 ORTYLSZPDCFJHF-DGCLKSJQSA-N 301.350 -0.581 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CC23CCOCC3)C1 1188483472 UBLFKDBPDUBLBP-ZIAGYGMSSA-N 319.405 -0.257 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2cccn2C)C1 1188898132 RLCFMDGAGIEJAL-ZDUSSCGKSA-N 302.378 -0.079 30 20 DBED COCC#CCN(C)[C@@H]1CCN(C(=O)[C@@H]2CCNC(=O)C2)C1 1189631505 HHGRBNYUDOZGPS-ZIAGYGMSSA-N 307.394 -0.305 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2nn(C)cc2C)C1 1190067665 RPAIBUPHQOKREU-CYBMUJFWSA-N 317.393 -0.376 30 20 DBED C#CCCN(C)[C@H]1CCN(C(=O)CS(=O)(=O)CCOC)C1 1190972689 FRQAPUMMJVTCPV-ZDUSSCGKSA-N 316.423 -0.396 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)N1CC[C@@H](N(C)CC(N)=O)C1 1192687344 FJFVCVDPMMVOSV-OLZOCXBDSA-N 310.398 -0.525 30 20 DBED C#CCCN(C)[C@H]1CCN(C(=O)C(C)(C)NS(C)(=O)=O)C1 1192748639 CQRRKWJFGAXEHJ-LBPRGKRZSA-N 315.439 -0.130 30 20 DBED CCCCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C#CC(C)C)C1 1192752002 QEOOPOUWLKWETO-ZIAGYGMSSA-N 309.410 -0.277 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)Cc2ncc[nH]2)C1 1193048195 LKGFXQLBMOZKHF-LBPRGKRZSA-N 303.366 -0.766 30 20 DBED C=CCC[C@H](C)N1C[C@@H](O)[C@H](NC(=O)c2cn(C)c(=O)cn2)C1 1194840498 HOJJFCYMOKBKQI-OUCADQQQSA-N 320.393 -0.090 30 20 DBED C=CCN1CC[C@@H](N2C[C@@H](O)[C@H](NC(=O)CCCF)C2)C1=O 1195374088 OBABBRXTXURJQT-JHJVBQTASA-N 313.373 -0.316 30 20 DBED Cn1c(C(=O)N2CCCO[C@H](CNCC#N)C2)cccc1=O 1201380078 AYNVQGZLKGRSIH-GFCCVEGCSA-N 304.350 -0.270 30 20 DBED Cn1cccc1C(=O)N1CCC[C@H](NCC(=O)NCC#N)C1 1207329912 UZRUZEVLOZDHRB-LBPRGKRZSA-N 303.366 -0.141 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCCN(C(=O)Cc2nc[nH]n2)C1 1210586007 SQECNMYYIGHQAD-RYUDHWBXSA-N 318.381 -0.934 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1NC(=O)CCC(=O)N1CCOCC1 1210825157 YDGOEKHJMHUOBB-CHWSQXEVSA-N 308.382 -0.415 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CCCN(C(=O)Cn2cncn2)C1 1210974697 JKUXZYNGKSGKDY-QWHCGFSZSA-N 320.397 -0.451 30 20 DBED CCS(=O)(=O)CC(=O)N1CCC[C@@H](NCC#CCOC)C1 1211257807 VCQZZCNKNAXASQ-CYBMUJFWSA-N 316.423 -0.349 30 20 DBED C=CCOCCN1C[C@@H](NC(=O)Cc2nonc2C)[C@H](OC)C1 1213651514 FNZWIHMDWONHDI-ZIAGYGMSSA-N 324.381 -0.061 30 20 DBED C=C[C@](C)(O)CC(=O)N1C[C@@H](NCCN2CCNC2=O)[C@H](C)C1 1214535166 IZTYOTBXAIVPAM-IOASZLSFSA-N 324.425 -0.225 30 20 DBED COCC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cocn1 1217522950 BPYPLYXRBLSSIJ-UONOGXRCSA-N 305.334 -0.150 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CCOCCCOC 1218931939 WIDHLCJXJAZLHR-LSDHHAIUSA-N 310.394 -0.026 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H](C)CS(C)(=O)=O 1219054805 LHILUZYQMICCFY-FRRDWIJNSA-N 314.407 -0.788 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)C2CCCCC2)C1 1219111818 HVRXFSXUVOKHOB-YUELXQCFSA-N 321.421 -0.134 30 20 DBED C=CCNC(=O)[C@H](C)N1CCC(NC(=O)CN(C)C(C)=O)CC1 1226161014 CFDRQUBMJAFIOF-LBPRGKRZSA-N 324.425 -0.264 30 20 DBED C#CCO[C@H](C)C(=O)NC1CCN([C@@H]2CCC(=O)NC2=O)CC1 1227341723 AODJEYMGJALTIF-DGCLKSJQSA-N 321.377 -0.590 30 20 DBED CC#CCN[C@@H]1CCCC[C@H]1NC(=O)CS(=O)(=O)N(C)C 1230010623 MMZSUPIRWFIHAK-CHWSQXEVSA-N 315.439 -0.082 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@H]1CN(C)C(=O)Cn1cccn1 1230763458 YLZSYATYRCLYSS-KGLIPLIRSA-N 317.393 -0.446 30 20 DBED C#Cc1cncc(C(=O)N2CC[C@H](NC[C@H](O)COC)C2)c1 1266547618 VYHGWHBZJBOBLU-GJZGRUSLSA-N 303.362 -0.126 30 20 DBED C#CCNC(=O)CNC[C@H]1CCCN1C(=O)Cc1cnc(C)o1 1267957588 FAWJLRABYHUILL-CYBMUJFWSA-N 318.377 -0.144 30 20 DBED C[C@@H]1CN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)C[C@@H](CO)O1 1320634670 YKXTVRMIXACTDW-NFYHWTQCSA-N 323.349 -0.489 30 20 DBED CC1CCN(CCNC(=O)C(=O)N2CCO[C@H](C#N)C2)CC1 1322085930 OSFRCKRWVPISTN-CYBMUJFWSA-N 308.382 -0.415 30 20 DBED Cc1cncc(CNC(=O)C(=O)N2CC[C@](O)(CC#N)C2)c1 1326098525 KSNOAVOFJSKQPM-OAHLLOKOSA-N 302.334 -0.117 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)c2cn(C)c(=O)nc2O)C1=O 1327008168 GVJQEQGZXMFZSS-SNVBAGLBSA-N 306.322 -0.655 30 20 DBED COc1cnc(NC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)s1 1329303337 UFHQKUGTPYDFKG-LBPRGKRZSA-N 310.335 -0.033 30 20 DBED CO[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)CC1 1333182778 UMIBJKJCDLUWNZ-DOMZBBRYSA-N 309.366 -0.109 30 20 DBED C[C@H](CN1CCOCC1)N(C)C(=O)C(=O)N1CCC[C@H](C#N)C1 1336473421 MCDGNLNANMBFGR-ZIAGYGMSSA-N 322.409 -0.072 30 20 DBED C#CCN(C)c1nnc([C@](C)(O)Cn2ccccc2=O)n1C 1337857293 DBLGMBWGEJNGHI-OAHLLOKOSA-N 301.350 -0.046 30 20 DBED C=CCCC[C@H](N)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 1339962623 VECNVITXVZJOHL-ZDUSSCGKSA-N 322.409 -0.381 30 20 DBED C=CCn1c([C@H](O)COC)nnc1N1CCN2C(=O)CC[C@@H]2C1 1340790590 BELGMWZRCDSTPF-VXGBXAGGSA-N 321.381 -0.045 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N1CCC[C@H](CNC(C)=O)C1 1343079205 GULRTOLGGUEGGD-OLZOCXBDSA-N 311.382 -0.322 30 20 DBED N#C[C@@H](C(=O)[C@@H]1CCCOC1)C(=O)N1CCS(=O)(=O)CC1 1343333570 DIEVQAXENLVYRK-MNOVXSKESA-N 314.363 -0.621 30 20 DBED C=CCCCNC(=O)C(=O)NCCNS(=O)(=O)NC(C)C 1346917448 LGTOTQACJKIJSR-UHFFFAOYSA-N 320.415 -0.983 30 20 DBED C#CCn1cc(CNC(=O)C2=C(C)OCCS2(=O)=O)cn1 1347762820 MZJHRAOYSYYSQR-UHFFFAOYSA-N 309.347 -0.191 30 20 DBED C[C@@H]1CCC[C@@]1(O)CNC(=O)Cn1cc(C#N)c(O)nc1=O 1362498351 VKRRQJQNKFQUDR-YMTOWFKASA-N 306.322 -0.512 30 20 DBED CCC[C@@H](NC(N)=O)C(=O)NCCN(C)c1ccc(C#N)nn1 1366809431 PEWKPCQYKUSPHD-LLVKDONJSA-N 319.369 -0.262 30 20 DBED CC(C)(O)CC(=O)N[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1O 1371455125 PIGRYWFWESSHME-VXGBXAGGSA-N 320.349 -0.651 30 20 DBED COCCn1cc(C(=O)N(C)CCN(C)C(=O)[C@@H](C)C#N)nn1 1376290947 WIOIQZUOHCJTSF-NSHDSACASA-N 322.369 -0.385 30 20 DBED CN(CCNC(=O)[C@@H]1COC(=O)N1)C(=O)c1cc(C#N)c[nH]1 1408559114 BUSZDLBSNSILBF-JTQLQIEISA-N 305.294 -0.817 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)Cn2cncn2)CCCC1 1409480608 ZPVZZEXYOSKLTH-NSHDSACASA-N 304.354 -0.017 30 20 DBED CCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@]1(O)CCOC1 1417502126 KSOGXUWAGQOWIJ-BXUZGUMPSA-N 307.354 -0.279 30 20 DBED CC(=O)NCC(=O)N(C)C[C@H]1CCN1C(=O)c1c[nH]c(C#N)c1 1426713159 HGGXGKOYMXQRSW-CYBMUJFWSA-N 317.349 -0.305 30 20 DBED CC(=O)N(C)CC(=O)N1[C@H]2CC[C@H]1CN(C(=O)[C@H](C)C#N)C2 1430050306 UITZGEKTTWELEE-WXHSDQCUSA-N 306.366 -0.174 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@](C)(NC(=O)C2(NC(N)=O)CC2)C1 1453854934 JAUYMQSFPVERSV-ZANVPECISA-N 307.354 -0.546 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@@H](CNC(=O)c2ccc(O)nn2)C1 1489798454 ZFWVCNAYNSSILW-LPEHRKFASA-N 303.322 -0.034 30 20 DBED CCn1ncnc1CN1CCN(CCNC(=O)[C@H](C)C#N)CC1 1490485143 CICHRWBOKDEUEY-CYBMUJFWSA-N 319.413 -0.309 30 20 DBED C=CCn1c(N2CCCNC(=O)C2)nnc1[C@]1(C)CNC(=O)C1 1520259561 FHEUFZUZFKLKHI-HNNXBMFYSA-N 318.381 -0.432 30 20 DBED CCCN(C)CC(=O)N1CCN(CCNC(=O)[C@H](C)C#N)CC1 1524093886 BVVVHJDANBIOBR-CQSZACIVSA-N 323.441 -0.252 30 20 DBED CCS(=O)(=O)CCNC(=O)N1CCC(C#N)(C(=O)O)CC1 1571133225 KCQUATUSOOOPAB-UHFFFAOYSA-N 317.367 -0.179 30 20 DBED C#Cc1ccc(C(=O)N2CC(NC(=O)[C@@H]3C[C@H]3C(=O)O)C2)cn1 1573312173 NRVDBSWPGGDYIH-CHWSQXEVSA-N 313.313 -0.276 30 20 DBED C=CCNC(=O)CN1C[C@H](NC(=O)CNC(=O)O)CC[C@@H]1C 1573368286 LSBRHPCSIPIOKF-WDEREUQCSA-N 312.370 -0.475 30 20 DBED C[C@@H](C#N)C(=O)NCC1(Nc2nccnc2-c2nn[nH]n2)CC1 1573576039 CVNVOQFGOYANJT-QMMMGPOBSA-N 313.325 -0.123 30 20 DBED C[C@@H](C(=O)NCc1cncc(C#N)c1)n1cnc(-c2nn[nH]n2)n1 1573729123 HECYZCVPSQBGLR-QMMMGPOBSA-N 324.308 -0.398 30 20 DBED C#CCCN(CCOC)C(=O)N[C@@H]1CC(=O)N(C2CNC2)C1 1574583664 KRUXSJIUJTUDAB-GFCCVEGCSA-N 308.382 -0.760 30 20 DBED N#Cc1ncc(NC[C@@H](CO)[C@@H]2CCOC2)nc1-c1nn[nH]n1 1581883366 XPDSRDJYXOFDEX-BDAKNGLRSA-N 316.325 -0.415 30 20 DBED C#CCOCCC(=O)NC[C@H](C)N=c1cc[nH]c(C(=O)O)n1 1588489802 MLRMWRHFLRHBFN-JTQLQIEISA-N 306.322 -0.447 30 20 DBED C=CCSCCNC(=O)C(=O)N1C[C@@H](C(=O)O)O[C@H](C)C1 1588878598 FLHLHULXXXGDGR-ZJUUUORDSA-N 316.379 -0.278 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)NC[C@H]1[C@@H](C(=O)O)C1(F)F 1589330496 HJZPMPNPOYFILP-FXQIFTODSA-N 311.310 -0.122 30 20 DBED N#Cc1ccc([C@H](O)C(=O)O[C@@H]2CCN(CC(=O)O)C2=O)cc1 1594617758 KCHJHGMXLYIODP-YPMHNXCESA-N 318.285 -0.180 30 20 DBED C#CCN1CCC[C@@H](NS(=O)(=O)N2CCC[C@H]2C(=O)O)C1 1602702827 SFIIFDACEUDRBG-NEPJUHHUSA-N 315.395 -0.533 30 20 DBED C[C@H](C(=O)N[C@@H]1CC[C@H](C#N)C1)n1cnc(-c2nn[nH]n2)n1 1603022966 XJUKEUPMEGJVDZ-HRDYMLBCSA-N 301.314 -0.172 30 20 DBED C=CCNC(=O)[C@H](C)N1CC[C@@H](NC(=O)c2cnn(C)n2)C1 1713087299 UMKKFLYEBGIUTB-WDEREUQCSA-N 306.370 -0.690 30 20 DBED Cc1nnsc1C(=O)NCC[C@H](C)NCC(=O)NCC#N 1733899096 IPUSKSDGGUQKDQ-QMMMGPOBSA-N 310.383 -0.416 30 20 DBED N#CCNC(=O)CN1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CCCC1 1752545431 SQVRMWGILIGMMX-OKILXGFUSA-N 319.409 -0.603 30 20 DBED C=CCOCCN[C@H]1C[C@H](NC(=O)CN2CCC(=O)NC2=O)C1 1752675270 XDHDGIMGHCKWCI-HAQNSBGRSA-N 324.381 -0.632 30 20 DBED C#CCNC(=O)CN[C@@H](C)CNC(=O)[C@H]1CCc2nccn2C1 1752882232 QLTYJKTXHHXJRI-STQMWFEESA-N 317.393 -0.711 30 20 DBED CN(CCN1CCN(CC#N)CC1)C(=O)[C@@H]1CC[C@@H]1C(N)=O 1753341828 DILPZYMCXJCUNI-QWHCGFSZSA-N 307.398 -0.903 30 20 DBED C#CCNC(=O)[C@H](C)N1CC(CNC(=O)[C@@H](OCC)C2CC2)C1 1753403083 MBTBTAVCUUQTCI-WFASDCNBSA-N 321.421 -0.013 30 20 DBED C#CCNCC[C@@H]1CCCN(C(=O)[C@H](C)NS(C)(=O)=O)C1 1753556677 UWGFMLMXSVTZFV-STQMWFEESA-N 315.439 -0.224 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@H](NC(=O)c1ncc[nH]1)C1CC1 1754440760 ZVCHSYVDABDOHZ-PWSUYJOCSA-N 303.366 -0.354 30 20 DBED C#CCNC(=O)CN1CCC[C@H](NC(=O)c2nc[nH]n2)CC1 1755029749 PTXXLPQRBUPHRM-NSHDSACASA-N 304.354 -0.862 30 20 DBED C#CCCN1CC[C@H](NC(=O)CS(=O)(=O)NC)C[C@H]1C 1755165150 GFOMQPVKUOZZMU-NEPJUHHUSA-N 301.412 -0.472 30 20 DBED C#CCN1CC(CCO)(NC(=O)[C@H]2CCc3cnn(C)c3C2)C1 1755334870 MUHXJCRTODRLRF-ZDUSSCGKSA-N 316.405 -0.289 30 20 DBED C#CCNC(=O)CN[C@@H]1C[C@H](C)N(C(=O)c2cnn(C)c2C)C1 1755671609 ZEWHLALYUFZXAU-WCQYABFASA-N 317.393 -0.329 30 20 DBED CC1(C)CN(C(=O)CC2(O)CCC2)C[C@@H]1NCC(=O)NCC#N 1755755684 SHQKWZJWZPAWEA-LBPRGKRZSA-N 322.409 -0.242 30 20 DBED C=CCOCC(=O)NC[C@H](C)N(C)C(=O)CN1CCCC1=O 1756012451 XMCRHPHWGKKLTP-LBPRGKRZSA-N 311.382 -0.226 30 20 DBED COc1ccc(C(=O)N[C@@H](CO)CNC(=O)C#CC2CC2)cn1 1756520217 WVZSEQLJGTXIMQ-CYBMUJFWSA-N 317.345 -0.290 30 20 DBED C[C@H](CNS(=O)(=O)CCOC1(C#N)CCOCC1)C(=O)O 1776429219 KOXRAYUEWZZWQA-SNVBAGLBSA-N 320.367 -0.284 30 20 DBED C#CCCC(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1785425623 TZRVWDAOWRLYPC-INIZCTEOSA-N 318.329 -0.682 30 20 DBED N#CC1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN)[C@H]3C2)CC1 1786794508 JVVQGXWBPFVSPS-SRVKXCTJSA-N 306.366 -0.771 30 20 DBED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cccn3)C[C@@H]21 1790790468 ATKUNJYJBJFGEN-IHRRRGAJSA-N 316.361 -0.504 30 20 DBED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cocn3)C[C@@H]21 1790790741 ALDPNOHNRCAIHL-GVXVVHGQSA-N 303.318 -0.099 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCCN(C)C1)C2 1800453893 PBUAURPPZUDUBZ-AYDFFVQHSA-N 319.405 -0.449 30 20 DBED C#CCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)O 1800755914 NAMKDIZXKZJFHV-XPCVCDNBSA-N 308.378 -0.240 30 20 DBED C[C@@H](C#N)CN(C)C(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1 87168178 OEYZIXXRBIYQSP-VHSXEESVSA-N 313.383 -0.295 30 20 DBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)Cn1cnnn1 160831398 RAJTXEHCOWVYAG-SNVBAGLBSA-N 313.325 -0.928 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(CCC)CC(=O)O)C1=O 262360822 ITZXMDZWGOFWJQ-UHFFFAOYSA-N 311.294 -0.714 30 20 DBED C#CCSCCNC(=O)NCCCNS(=O)(=O)CC 265790346 QLRVIPPGQFCPHF-UHFFFAOYSA-N 307.441 -0.019 30 20 DBED CN1CC[C@H](N(C)/C(O)=N/C[C@@H]2CCCS2(=O)=O)C1=O 329303248 XEXOQKHRFZZRTM-UWVGGRQHSA-N 303.384 -0.360 30 20 DBED C[C@H]1CN(/C(O)=N/CCn2cncn2)C[C@@H](C)S1(=O)=O 329594457 HVKKOMNPNWFGMG-AOOOYVTPSA-N 301.372 -0.301 30 20 DBED CNC(=O)Cn1cc(N/C(O)=N/C[C@@H](C)N2CCOCC2)cn1 330543316 YVMHKLGEVXBKSZ-LLVKDONJSA-N 324.385 -0.324 30 20 DBED CCN(CC)CC(=O)N1CCN(CC(=O)N/C(O)=N/C)CC1 330586633 LXRKMESWDANDMA-UHFFFAOYSA-N 313.402 -0.868 30 20 DBED CC/N=C(/O)NC(=O)[C@H](C)N1CCN(CC(=O)OC)CC1 330689773 FEXLLSLAIOTSKJ-JTQLQIEISA-N 300.359 -0.784 30 20 DBED Cn1ccnc1N1CCN(C(=O)Cn2cnc(C#N)n2)CC1 331650445 LEJSLKJFNLWXQM-UHFFFAOYSA-N 300.326 -0.768 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)[C@@H]2CN3CCCN2CC3)C1=O 337105866 ZNYGJSSLGZQYKX-KBPBESRZSA-N 306.410 -0.378 30 20 DBED COCCN(CC(=O)OC)S(=O)(=O)N(C)[C@@H](C)CC#N 337966239 ANXYGOIQUMEUIU-JTQLQIEISA-N 307.372 -0.413 30 20 DBED C=CC[C@@H](CO)CNS(=O)(=O)c1cnn(CCOC)c1 341194638 PWOZSFRHYSJEHA-LLVKDONJSA-N 303.384 -0.008 30 20 DBED N#Cc1ccc(S(=O)(=O)Nc2ccn(CCC(N)=O)n2)cn1 344330540 VKBFNVSMHCRRSW-UHFFFAOYSA-N 320.334 -0.174 30 20 DBED CC(=O)Nc1ncc(S(=O)(=O)N2CC(O)(CC#N)C2)s1 344713673 WHXBNGBKYPWREL-UHFFFAOYSA-N 316.364 -0.249 30 20 DBED C[C@H]1CN(S(=O)(=O)CCCC#N)CCN1S(C)(=O)=O 345261349 VFJWIPKQKPGJAP-JTQLQIEISA-N 309.413 -0.414 30 20 DBED C=CCNS(=O)(=O)c1cccc(C(=O)NC2(C(N)=O)CC2)c1 346893994 IVRAEYOZUPEQQJ-UHFFFAOYSA-N 323.374 -0.101 30 20 DBED N#CC1(NC(=O)CN2CCC[C@H](S(N)(=O)=O)C2)CCC1 347004098 ANONBQDYJSXRNQ-JTQLQIEISA-N 300.384 -0.698 30 20 DBED CNC(=O)CCCC(=O)N(CCC#N)CCN1CCOCC1 357612577 FVENXUUBRVERID-UHFFFAOYSA-N 310.398 -0.023 30 20 DBED C#C[C@H](NC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)C(C)C 366849751 JCNVNFOXYWUCOM-GJZGRUSLSA-N 321.421 -0.059 30 20 DBED CCOC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(C#N)c(F)c1 489701063 JUPTWEVRPIGVKI-LLVKDONJSA-N 316.310 -0.100 30 20 DBED C#CCNS(=O)(=O)c1cccc(C(=O)OCCC(N)=O)c1 490890994 AULLPRRXVNQIGF-UHFFFAOYSA-N 310.331 -0.370 30 20 DBED C#CCNC(=O)CN1CCN(c2ncc(C(=O)OC)cn2)CC1 491793134 JHZHSPUEVRTNMK-UHFFFAOYSA-N 317.349 -0.865 30 20 DBED C=CCN1CC[C@H](N2CCN(S(=O)(=O)C3CC3)CC2)C1=O 528615058 RUBJYXZERPGGTM-ZDUSSCGKSA-N 313.423 -0.117 30 20 DBED CN(C)CCn1ccc(NC(=O)NCCn2cnc(C#N)n2)n1 562199796 LZABOKCVRHITDJ-UHFFFAOYSA-N 317.357 -0.270 30 20 DBED COC(=O)[C@@H](CN1CCOCC1)NS(=O)(=O)CCCC#N 562528279 IUPIASXWDLDFFB-LLVKDONJSA-N 319.383 -0.917 30 20 DBED C=CCNC(=O)NC(=O)CN(C)[C@H](COCC)C(=O)OC 611208841 SUBHHZRLCSISBK-SNVBAGLBSA-N 301.343 -0.492 30 20 DBED C=CCCNC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 617616256 OQHBYAQEYQXIOI-UHFFFAOYSA-N 300.340 -0.916 30 20 DBED C=CCn1cc(C(=O)N2CCC[C@@H]2CS(=O)(=O)NC)nn1 648814336 YREQTAXAWVVPFZ-SNVBAGLBSA-N 313.383 -0.382 30 20 DBED C=C[C@](C)(O)C(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1 666413742 DCSXWNCDLSCXCV-INIZCTEOSA-N 309.410 -0.064 30 20 DBED C#CC[C@H](CO)NS(=O)(=O)N1CCC[C@@H]1C(=O)OCC 717812617 ALAMCCCSVBLSJC-GHMZBOCLSA-N 304.368 -0.768 30 20 DBED C#CCCN1CCC(NC(=O)CN2C(=O)C(=O)N(C)C2=O)CC1 747404115 GGTFHPPHNMTBFA-UHFFFAOYSA-N 320.349 -0.989 30 20 DBED C#CCNC(=O)COC(=O)c1cc(S(N)(=O)=O)ccc1C 749572028 AMMGPOKNGWGORF-UHFFFAOYSA-N 310.331 -0.451 30 20 DBED COC[C@H](NC(=O)COc1ccc(C#N)cc1OC)C(N)=O 760065262 POHGZXSBBZUNDB-JTQLQIEISA-N 307.306 -0.438 30 20 DBED C#CCNS(=O)(=O)N1CCN(CC(OCC)OCC)CC1 767810147 DFLSKFOQWNMWLA-UHFFFAOYSA-N 319.427 -0.529 30 20 DBED C#CCNS(=O)(=O)c1ccc(C(=O)NCCOCC#C)cc1 784768816 OCXYBBPPESMSNE-UHFFFAOYSA-N 320.370 -0.022 30 20 DBED C=CCSCCNC(=O)C(=O)N1CCC2(C1)OCCO2 803207276 LHXNESWSSYADCX-UHFFFAOYSA-N 300.380 -0.003 30 20 DBED COC(=O)COCC(=O)OCC(=O)N[C@@](C)(C#N)C(C)C 803806163 WWQMSCIRLPLNGZ-ZDUSSCGKSA-N 300.311 -0.226 30 20 DBED CNC(=O)[C@H](O)CNS(=O)(=O)c1ccc(Cl)cc1C#N 809838164 RLFQGIJIWDWSBF-SECBINFHSA-N 317.754 -0.403 30 20 DBED CCOC(=O)N1CCN(S(=O)(=O)N2CC(C#N)C2)CC1 814399544 ZASYOOKRFSQKEC-UHFFFAOYSA-N 302.356 -0.539 30 20 DBED N#CCCn1ccc(NC(=O)C(=O)N2CC[C@@H](C(=O)O)C2)n1 819091225 UFUIJGKULAFLOB-SECBINFHSA-N 305.294 -0.332 30 20 DBED C[C@@H]1CC(=NC(=O)CNS(=O)(=O)c2ccccc2N)NO1 831398376 BDTJQQYQNVBVFA-MRVPVSSYSA-N 312.351 -0.214 30 20 DBED C#CCN(C)C(=O)C(=O)N1CCO[C@H](C(=O)OC(C)(C)C)C1 839324280 OUVZSVOBXYHJHQ-NSHDSACASA-N 310.350 -0.353 30 20 DBED COCC#CCN1CCN(S(=O)(=O)N=S(C)(C)=O)CC1 846965749 QJUUUSNSPPHJJO-UHFFFAOYSA-N 323.440 -0.774 30 20 DBED C#CCCOC(=O)N1CCOC[C@H]1C(=O)NCC(=O)OCC 859098647 OMRMAJSZKLZZNX-NSHDSACASA-N 312.322 -0.474 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@@H](CC(C)=O)C(=O)O 863407276 GFQGTCDXRSICEN-JTQLQIEISA-N 321.355 -0.885 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(NC(=O)[C@@H](C)OCC#C)COC1 870201235 LMMLLYDLDZZEAT-CHWSQXEVSA-N 322.361 -0.936 30 20 DBED CN(C)CC#CCNC(=O)CNC(=O)Cc1ccc(O)cc1 913520064 BEBAKDNCDDSZIO-UHFFFAOYSA-N 303.362 -0.268 30 20 DBED C[C@@H](OC(=O)CCNS(C)(=O)=O)C(=O)N(C)CCC#N 914649420 MAZKQHKFHXNTOP-SECBINFHSA-N 305.356 -0.771 30 20 DBED C=CCC[C@@H]1NC(=O)N(C2CC(NS(C)(=O)=O)C2)C1=O 925301679 HYABATNBGWPCPW-RTBKNWGFSA-N 301.368 -0.047 30 20 DBED CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@H](C#N)C1 928224835 ROZLJVFQIKELBR-CHWSQXEVSA-N 306.366 -0.124 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H]1CNC(=O)c1c[nH]c(C(N)=O)c1 944251318 PEFHJVURYORQMK-MWLCHTKSSA-N 317.349 -0.006 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1C 948051708 DIPOJBBOMGEPFM-ZAZJYDDPSA-N 323.393 -0.194 30 20 DBED CN(C(=O)CN1CCOCC1=O)[C@@H]1CCCN(CC#N)CC1 948441727 DVZVEHARHABGOX-CYBMUJFWSA-N 308.382 -0.318 30 20 DBED C[C@H](C#N)C(=O)N1CCC2(CC1)CN([C@H]1CCNC1=O)CCO2 949320544 PIMIVGPVOZVGFW-OLZOCXBDSA-N 320.393 -0.272 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2cccc3nc(O)[nH]c23)C1 958145012 GARJERKQBIYDMZ-MFKMUULPSA-N 314.345 -0.076 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2CN(CC(N)=O)C[C@H]2O)cc1 958308924 CXOJYXMLZAWSNH-ZIAGYGMSSA-N 301.346 -0.824 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]c(C#N)c2)C1 958828581 MCYVRWGCAHEDCW-XDTLVQLUSA-N 315.333 -0.310 30 20 DBED Cc1cc(C(=O)N2CCO[C@@H]3CN(C(=O)[C@H](C)C#N)C[C@@H]32)n[nH]1 960094025 KXFPEXAKZHXILO-JIMOISOXSA-N 317.349 -0.070 30 20 DBED C=CCN1C[C@@H]2C(NC(=O)CN3CCCCS3(=O)=O)[C@H]2C1 961155256 ZGMSHLPGLVDESP-RYUDHWBXSA-N 313.423 -0.356 30 20 DBED C#CCN1C[C@H]2C(NC(=O)c3c4n(c(=O)n3C)CCCC4)[C@@H]2C1 961770105 GFKYXDGKWFWVGG-VXGBXAGGSA-N 314.389 -0.184 30 20 DBED CCCn1nc(C(=O)N[C@H]2[C@@H]3CN(CC#N)C[C@@H]32)ccc1=O 962527897 QGCPFKKHOFSZPM-YABSGUDNSA-N 301.350 -0.163 30 20 DBED CC#CCN1CC[C@H](C)[C@@H](NC(=O)CN2CCC(=O)NC2=O)C1 968518097 XSGCHJUWZFKJAU-STQMWFEESA-N 320.393 -0.222 30 20 DBED O=C1N[C@H](C(=O)N2[C@H]3CC[C@H]2CN(C(=O)C#CC2CC2)C3)CO1 968943445 QCOSZUXQRRTSGK-AVGNSLFASA-N 317.345 -0.290 30 20 DBED O=C(C#CC1CC1)N1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1ncnn1 969075307 BOOCQNJOUXNMMN-BETUJISGSA-N 314.349 -0.712 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](N(C)CCN2C(=O)CNC2=O)C1 971210442 HNGQWIDFHSEODL-MNOVXSKESA-N 307.354 -0.769 30 20 DBED C#CCN(C)[C@H]1CCN(C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1 972325309 YPSJZPPNHVYLMP-MELADBBJSA-N 307.394 -0.212 30 20 DBED C#CCCN1CCO[C@@]2(CCN(C(=O)[C@@H]3CN(C)C(=O)N3)C2)C1 972503551 GXONLRHGCCBGJV-BBRMVZONSA-N 320.393 -0.663 30 20 DBED C=CCn1cc(C(=O)N[C@H]2[C@@H]3CN(C(=O)C(F)F)C[C@@H]32)nn1 976523221 IBIQUKDYQSQPAJ-MBTKJCJQSA-N 311.292 -0.084 30 20 DBED N#CCN1C[C@H]2[C@H](CNC(=O)c3ccc(-n4cnnn4)cn3)[C@H]2C1 978522836 CWZHREVAUZYKBZ-XYYAHUGASA-N 324.348 -0.512 30 20 DBED Cn1c(O)ncc(C(=O)N2CC3(CCCN(CC#N)C3)C2)c1=O 981927959 WDDORAFDFJKBPL-UHFFFAOYSA-N 317.349 -0.453 30 20 DBED N#Cc1cc(C(=O)N2CC(NC(=O)[C@@H]3COCCO3)C2)c[nH]1 990275253 IWLRZCHCLNTGEF-LBPRGKRZSA-N 304.306 -0.758 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@H](NC(=O)C(F)F)[C@H](O)C2)c1 991168866 UICNRALYEZSWGI-WCBMZHEXSA-N 312.276 -0.157 30 20 DBED C#Cc1cncc(C(=O)N[C@H]2CCN(C(=O)COC)C[C@@H]2O)c1 991766237 XWALHHDNQXJUAD-KBPBESRZSA-N 317.345 -0.599 30 20 DBED O=C(NC1CN(C(=O)C#CC2CC2)C1)c1ccc2nnnn2c1 995538710 KAFJSKGWWVUJRT-UHFFFAOYSA-N 310.317 -0.522 30 20 DBED C=CCn1cc(C(=O)N2CCC(N[C@@H](CC)C(N)=O)CC2)nn1 997073514 GUGYTALEBVJNDM-LBPRGKRZSA-N 320.397 -0.078 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC(NC(=O)[C@@H]3CCC(=O)N3)C2)c1 997105362 HEAAICHHAHDHOO-JTQLQIEISA-N 301.306 -0.894 30 20 DBED C=CCCn1cc(C(=O)N2CCC[C@@H](N[C@H](C)C(N)=O)C2)nn1 1000430218 VWWZDHSOHPCBNT-VXGBXAGGSA-N 320.397 -0.078 30 20 DBED N#CCN[C@H]1CCCN(C(=O)c2cn([C@@H]3CCOC3)nn2)C1 1000646717 BGJRMPYNCVQZIR-NWDGAFQWSA-N 304.354 -0.043 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C(=O)c2cc(C(N)=O)ccn2)CC1 1011474413 FILWFQQDODYSTD-SNVBAGLBSA-N 315.333 -0.375 30 20 DBED C=CCCN1CC[C@@H](NC(=O)[C@H]2CCN(C)S2(=O)=O)C1 1015825545 MAUJQIGJRASABE-VXGBXAGGSA-N 301.412 -0.213 30 20 DBED C#Cc1cncc(C(=O)N2CC[C@H](NCc3nnnn3C)C2)c1 1019357012 RCYHWSRLOQDAGT-ZDUSSCGKSA-N 311.349 -0.409 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CC(C)C)C[C@H]1O 1024357716 UNNLURKEOMKMOK-QLFBSQMISA-N 321.421 -0.182 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)C3=COCCO3)C[C@H]2O)C1 1025522273 UBZCCPZLFNIXNS-VXGBXAGGSA-N 322.361 -0.081 30 20 DBED C#CCN1CCC[C@H]([C@H](C)NC(=O)c2cn(CC(N)=O)nn2)C1 1025630473 UIKLJEBCGLBFHI-RYUDHWBXSA-N 318.381 -0.773 30 20 DBED C#CCN(C)[C@@H]1CCCN(C(=O)CN2C(=O)NC(C)(C)C2=O)C1 1027670623 KDJZJMHJLBJCIR-GFCCVEGCSA-N 320.393 -0.127 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN(Cc2ccn(C)n2)C1 1030462435 XBBUBTHPFWYEDK-HNNXBMFYSA-N 301.394 -0.182 30 20 DBED CC#CCN1CC(NC(=O)c2ccc(=O)n(CCOC)n2)C1 1030641877 WKHVEYRSASDMLC-UHFFFAOYSA-N 304.350 -0.673 30 20 DBED C#CCCN1CC(NC(=O)c2cn(C[C@@H]3CCOC3)nn2)C1 1031164118 CTXIUAQJWFVZAX-LBPRGKRZSA-N 303.366 -0.248 30 20 DBED CC#CCN1C[C@@H]2C[C@H]1CN2C(=O)CCn1cnccc1=O 1032705059 GSSKTXCYZXUTGQ-KBPBESRZSA-N 300.362 -0.058 30 20 DBED CN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CCN(Cc2nnn(C)n2)C1 1032993884 YXAJURUQXKMDHN-NSHDSACASA-N 314.353 -0.244 30 20 DBED CCC(=O)N1CCC[C@@H](C(=O)NC[C@@H]2CN(CC#N)CCO2)C1 1035374231 CIZAICCAIOCRFG-ZIAGYGMSSA-N 322.409 -0.024 30 20 DBED CC#CCN1CCO[C@@H](CNC(=O)[C@@H]2CCN(C)C(=O)C2)C1 1035421409 ZOCTWHIONHGURX-KGLIPLIRSA-N 307.394 -0.305 30 20 DBED CC#CCN1CCO[C@H](CNC(=O)[C@@H]2CN(C(C)C)CCO2)C1 1035483101 LSHKFSVPNVDPBV-CVEARBPZSA-N 323.437 -0.064 30 20 DBED C=CCN1CC[C@H](N2CC[C@H]2CNC(=O)c2cn(C)nn2)C1=O 1038225261 FJZIHRFUQQFOKQ-AAEUAGOBSA-N 318.381 -0.594 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@]1(O)CCN(C(=O)CCCF)C1 1039724782 BECDKWRWEOLBPJ-WFASDCNBSA-N 314.357 -0.146 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CN(c3ncc(F)cn3)C[C@H]2O)c[nH]1 1040956880 PQQUMMACJRTIMS-VXGBXAGGSA-N 316.296 -0.205 30 20 DBED Cn1cnc(C(=O)N[C@@H]2CN(c3nccnc3C#N)C[C@H]2O)c1 1040986843 CSAOJGZCJVHHFY-ZYHUDNBSSA-N 313.321 -0.939 30 20 DBED Cc1cc(C#N)nc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC3(F)F)C2)n1 1041011274 CBTPFCBAKGOOGT-GMTAPVOTSA-N 323.303 -0.022 30 20 DBED N#CCN1CC[C@@]2(CCN(C(=O)c3nnc(O)nc3O)C2)C1 1041446587 UXNNYJBRMXYYSO-CYBMUJFWSA-N 304.310 -0.656 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)[C@]2(F)CCOC2)C1 1042043771 UIFSPOVSWJFNMY-AWEZNQCLSA-N 316.329 -0.993 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(O)(CNC(=O)C2CC=CC2)C1 1042239165 AZERYFZJWQPXNW-HNNXBMFYSA-N 308.378 -0.031 30 20 DBED C=CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2n[nH]cc2C)C1 1043568543 AHHIKTYHQCMZQJ-NSHDSACASA-N 322.365 -0.388 30 20 DBED N#CCN1CC[C@@H](N2CCN(C(=O)c3cnccn3)CC2)C1 1045996944 KTAFREDDYXCVOM-CYBMUJFWSA-N 300.366 -0.168 30 20 DBED N#Cc1ccc(N[C@H]2C[C@@H](CNC(=O)[C@H]3C[C@H]3C(N)=O)C2)nn1 1046593594 XWTLBCVLBMXKOV-KLHWPWHYSA-N 314.349 -0.224 30 20 DBED N#Cc1cncc(N[C@H]2C[C@H](CNC(=O)[C@@H]3CNC(=O)N3)C2)n1 1047009361 KXVGNZSQGZGOOZ-QXEWZRGKSA-N 315.337 -0.664 30 20 DBED C=C(C)CN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3nn[nH]c3C2)C1 1047597422 OYOMZYNESMVIRN-UGFHNGPFSA-N 319.409 -0.011 30 20 DBED C=C[C@](C)(CC)C(=O)N(C)[C@H]1CN(C(=O)CC(N)=O)C[C@@H]1O 1049454380 UBQPBQJIVFKZJT-ZIBATOQPSA-N 311.382 -0.506 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)c1nccnc1C(N)=O)C2 1050748839 ZRMDBECGDBPNEH-UHFFFAOYSA-N 313.361 -0.253 30 20 DBED Cc1cn2ccnc(C(=O)NC[C@@H]3COCCN3CC#N)c2n1 1051196979 JQDYHTOLUPOJTR-GFCCVEGCSA-N 314.349 -0.008 30 20 DBED C=CCOCC(=O)N[C@@H](C)[C@H]1CCN(C(=O)Cn2cncn2)C1 1051638629 RWQDIXYQISILKT-STQMWFEESA-N 321.381 -0.166 30 20 DBED N#Cc1nccc(N2CC[C@@H](NC(=O)c3cnco3)[C@H](O)C2)n1 1051756722 ZSTIHTNDMSRVBE-NXEZZACHSA-N 314.305 -0.294 30 20 DBED N#Cc1nccnc1NC1CC(CNC(=O)[C@H]2CCNC2=O)C1 1052046797 LAHJTAOCXJFWKN-ILDUYXDCSA-N 314.349 -0.209 30 20 DBED CC(=O)NCC(=O)NC[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C 1052547351 FHQAYEHQRLWVLY-BXUZGUMPSA-N 305.378 -0.253 30 20 DBED CC[C@@H]1C[C@@H](C(=O)N2CCOC3(CN(CC#N)C3)C2)CC(=O)N1 1053355870 HAQJFXVJENJUSU-CHWSQXEVSA-N 320.393 -0.272 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)[C@H]1CCNC(=O)CC1)CCO2 1053358407 QPEHQOZAZVVIDN-CQSZACIVSA-N 319.405 -0.161 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)c1c[nH]c(C(N)=O)c1)CCO2 1053530768 FALHCKSIJIMVRL-UHFFFAOYSA-N 316.361 -0.336 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)[C@H]3CCCc4nn[nH]c43)CO2)C1 1053908679 YUXFNIRLJDXFQP-NEPJUHHUSA-N 315.377 -0.183 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)c3cnc4cccnn34)CO2)C1 1053948658 QCYVSQUTGWFUIJ-NSHDSACASA-N 312.333 -0.174 30 20 DBED CCc1nc(C#N)cc(N2CCN(C(=O)CC(N)=O)CC2)n1 1055747909 UWOMCSWCINWWQS-UHFFFAOYSA-N 302.338 -0.565 30 20 DBED Cn1cnc(C(=O)N2CC[C@@H](N=c3cc[nH]cc3C#N)C2)cc1=O 1056813130 DZONODDZHFJCTQ-GFCCVEGCSA-N 324.344 -0.205 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)[C@H]1COCCN1C 1057170846 DAPNDYKZZWXNCR-CYBMUJFWSA-N 313.398 -0.780 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)CCn1ccnn1 1057170953 IGFINYZEYPEYHH-UHFFFAOYSA-N 309.370 -0.429 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)c1ccc(C#N)[nH]1 1057367193 RSBUQYLNLSSOKH-JTQLQIEISA-N 303.322 -0.403 30 20 DBED C=C[C@](C)(O)CC(=O)N(CCO)CCNC(=O)c1nc(C)c[nH]1 1057452329 YTYFPYDFHHGFAY-HNNXBMFYSA-N 324.381 -0.404 30 20 DBED Cc1c[nH]nc1C(=O)NCCN(CCO)C(=O)C#CC1CC1 1057531735 XEPIQHAESMSELL-UHFFFAOYSA-N 304.350 -0.318 30 20 DBED N#Cc1nccc(N2CC[C@@H](NC(=O)c3nccnc3N)C2)n1 1058316137 WTHWEWCIKNZBBK-SECBINFHSA-N 310.321 -0.271 30 20 DBED N#Cc1cncc(N2CC[C@@H](NC(=O)c3cncnc3O)C2)n1 1058475905 DFFNBNGHNWHDBJ-SECBINFHSA-N 311.305 -0.147 30 20 DBED CN1C[C@@H](C(=O)N[C@H]2CCN(c3ccc(C#N)nn3)C2)NC1=O 1058504082 FZKQAZMATXPMFK-QWRGUYRKSA-N 315.337 -0.933 30 20 DBED Cn1ncc(C(=O)N2CC[C@H](N=c3cc[nH]c(C#N)n3)C2)c1N 1058877967 NPKIAMJPXNMRLX-VIFPVBQESA-N 312.337 -0.588 30 20 DBED Cc1cc(=N[C@H]2CCN(C(=O)[C@H]3COC(=O)N3)C2)c(C#N)c[nH]1 1058883367 CHXAISPOBURMQD-WCQYABFASA-N 315.333 -0.195 30 20 DBED C[C@H](C(=O)N1CC[C@H](Nc2cnc(C#N)cn2)C1)S(C)(=O)=O 1059109398 KJOHVSJNSFHHHQ-ZJUUUORDSA-N 323.378 -0.206 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CC[C@H](NC(=O)c2nnn(C)n2)CC1 1060781260 ZOZHZSYFGHEXDZ-GMTAPVOTSA-N 319.369 -0.225 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H]1COCCN1C(=O)C(C)C 1061516445 WSDWXXXXBVIHNV-GFCCVEGCSA-N 309.366 -0.875 30 20 DBED Cc1nonc1C(=O)N1CCOC[C@H]1CNC(=O)C#CC(C)C 1061568629 MWJRDRNXHKHYDO-GFCCVEGCSA-N 320.349 -0.005 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1COCCN1C(=O)c1cnns1 1061569551 HJJHNCYEFNFDCV-LLVKDONJSA-N 320.374 -0.091 30 20 DBED C=CCCC(=O)N1CCOC[C@@H]1CNC(=O)Cc1n[nH]c(C)n1 1061575324 OBYHSCHVQLLOLF-LBPRGKRZSA-N 321.381 -0.035 30 20 DBED C=CCCOCC(=O)N1CCOC[C@@H]1CNC(=O)c1cnon1 1061806169 IILFNTJJZCPDSY-NSHDSACASA-N 324.337 -0.381 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](CN(C)c2nccn3nnnc23)C1 1062095518 AAEPJNKHTAZYHO-QWRGUYRKSA-N 314.353 -0.036 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](CN(C)c2ccc3nnnn3n2)C1 1062095523 AGLBMLLCFOKEIP-WDEREUQCSA-N 314.353 -0.036 30 20 DBED CN(C[C@H]1CCN(C(=O)CC(N)=O)C1)c1ccnc(C#N)n1 1062098817 CFETZPVQBWJKLY-SNVBAGLBSA-N 302.338 -0.492 30 20 DBED Cc1nn[nH]c1C(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(C#N)n1 1062553645 KDCHJCYPXIGBEI-QWRGUYRKSA-N 310.321 -0.122 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)CN2CCCNC2=O)CCC1 1063589938 NLWAMSJNZDJHAX-NSHDSACASA-N 321.381 -0.284 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CN(C(=O)c2cnsn2)CCO1 1064909629 PKBXVGPAPBQSSQ-RKDXNWHRSA-N 309.351 -0.345 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(C(=O)c2csnn2)CCO1 1065384407 ZJZHFGWELKGXQZ-LLVKDONJSA-N 320.374 -0.091 30 20 DBED CN(C(=O)c1ccon1)[C@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1065564414 HRUHLJNDZKDAMM-RYUDHWBXSA-N 314.305 -0.342 30 20 DBED C=C(C)CCC(=O)NC[C@H]1CN(C(=O)Cn2cncn2)CCO1 1065636673 LCPUQIVHRBGKSD-ZDUSSCGKSA-N 321.381 -0.022 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CCCN(C(=O)Cn2ncnn2)CC1 1066478996 OPVSORFARHKWEG-GHMZBOCLSA-N 305.342 -0.670 30 20 DBED N#Cc1ccc(NC[C@H]2CN(C(=O)c3cnon3)CCO2)nn1 1066639766 KVYLELPYDMACMR-JTQLQIEISA-N 315.293 -0.316 30 20 DBED C#CCNC(=O)CC(=O)N(C)CCCN(C)C(=O)CSC 1066751134 JBXBWBIMNVPGPO-UHFFFAOYSA-N 313.423 -0.204 30 20 DBED CN(CCCN(C)C(=O)CC(N)=O)C(=O)CSCC#N 1066871400 HGLWMDATBAFEMG-UHFFFAOYSA-N 300.384 -0.575 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@@H](CNC(=O)c3cc[nH]n3)C2)nn1 1067652770 YRQZPQUWVJIAOC-JOYOIKCWSA-N 313.321 -0.702 30 20 DBED N#Cc1nccnc1N1C[C@H]2CC[C@H]1CN2C(=O)Cn1cncn1 1068043793 IEMZOHPZWKLZMO-NEPJUHHUSA-N 324.348 -0.180 30 20 DBED C=C[C@H](CC)CC(=O)N1CC2(C[C@H](NC(=O)C(N)=O)CO2)C1 1068993303 UXYCEFPUCIXUFG-MNOVXSKESA-N 309.366 -0.440 30 20 DBED CN(C(=O)c1ncn(C)n1)C1CC(N=c2cc[nH]c(C#N)n2)C1 1069733605 XFQNNNYYMZVXQO-UHFFFAOYSA-N 312.337 -0.386 30 20 DBED C=CCOCC(=O)N1CCC[C@@H](NC(=O)[C@H]2CCCNC2=O)C1 1070552571 YCWJGMHRKQSUNJ-OLZOCXBDSA-N 323.393 -0.178 30 20 DBED Cc1nc(CC(=O)N2C[C@@H](C)O[C@@]3(CCN(CC#N)C3)C2)n[nH]1 1071166308 GIYRCNNFNIHGSF-IAQYHMDHSA-N 318.381 -0.129 30 20 DBED C=CCOCC(=O)N1C[C@H](C)[C@@H](NC(=O)CCc2cnn[nH]2)C1 1071812850 WMLXWMZTIDHWLP-AAEUAGOBSA-N 321.381 -0.097 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)c2ccc(OC)nn2)C1 1073845510 QUZIBLYTRVMSOW-LBPRGKRZSA-N 304.350 -0.061 30 20 DBED C=C(C)CN1CCO[C@H]2CCN(C(=O)CS(C)(=O)=O)C[C@@H]21 1074179224 YGRCNOPMZXMHLP-STQMWFEESA-N 316.423 -0.091 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]2CN(CC(=O)N3CCOCC3)C[C@H]21 1075621409 ZPYRBSMZDJSJRV-HZSPNIEDSA-N 320.393 -0.462 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)CC1(O)CCC1 1076418253 PBJJYCDQYCHKHW-LBPRGKRZSA-N 323.393 -0.558 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@H]3CN(CC(=O)NC)C[C@H]32)nc1 1076476097 VPYATTSHFKVOGA-DZGCQCFKSA-N 312.373 -0.045 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCCS2(=O)=O)C1 1077129123 UPGZWBBPUKOMRW-JHJVBQTASA-N 314.407 -0.862 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@]2(C)CCN(C(C)=O)C2)C1 1077963897 LFVHEMHRNRCYEN-IIAWOOMASA-N 307.394 -0.571 30 20 DBED CNC(=O)NC(C)(C)C(=O)N[C@@H](C)CCNC(=O)[C@@H](C)C#N 1078135350 XRCHLXCJDHYMTO-UWVGGRQHSA-N 311.386 -0.135 30 20 DBED C[C@H](C#N)C(=O)N1CCCO[C@H](CNCc2cnn(C)n2)C1 1078357726 AQZSLGHFNQRVBZ-DGCLKSJQSA-N 306.370 -0.318 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@H]2C[C@H](OC)CN2C(C)=O)[C@H](C)C1 1080203969 SYQMKHMNWKGKPS-FAAHXZRKSA-N 307.394 -0.308 30 20 DBED C#CCCCC(=O)N1C[C@H](CNC(=O)CC(=O)NCC)[C@@H](O)C1 1081425084 NGCONVZHBILIOY-STQMWFEESA-N 323.393 -0.748 30 20 DBED Cc1ncc(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C#CC(C)C)C2)[nH]1 1081464110 VSIYLKTZSHWHPQ-GXTWGEPZSA-N 318.377 -0.073 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)Cc2ccn(C)n2)C1 1081477802 XVMFVQXMWRYTFD-TZMCWYRMSA-N 320.393 -0.136 30 20 DBED C=CCN1C[C@@H](NC(=O)[C@@H](C)N2C(=O)CCC2=O)[C@H](OC)C1 1081756419 GIEOBSSKDCXWRF-IJLUTSLNSA-N 309.366 -0.475 30 20 DBED N#Cc1ccc(C(=O)N2CCCC[C@H]2CNC(=O)CC(N)=O)[nH]1 1082009229 UNDPIMJHZQXIBQ-NSHDSACASA-N 317.349 -0.127 30 20 DBED CCN1CCO[C@@H](C(=O)N2CCO[C@@H]3CN(CC#N)C[C@@H]32)C1 1083280837 JJPCVVOVFHTIMN-BFHYXJOUSA-N 308.382 -0.858 30 20 DBED Cc1nc2c([nH]1)C[C@@H](C(=O)N[C@@H]1CN(CC#N)C[C@@H]1O)CC2 1083583375 DBYWERBFPQZWJX-GDLCADMTSA-N 303.366 -0.492 30 20 DBED C=CCN1CC[C@@H](N2CC[C@@H]3CCN(C(=O)C(N)=O)C[C@@H]32)C1=O 1085021363 PDELDXBKFQXUCZ-XQQFMLRXSA-N 320.393 -0.819 30 20 DBED C#Cc1cncc(C(=O)N2C[C@H]3CCN(CC(N)=O)C[C@H]3C2)c1 1088099707 YHYJUFWHSRAKCM-HIFRSBDPSA-N 312.373 -0.058 30 20 DBED C#CCN1CC[C@H](NC(=O)Cn2nc3ccccn3c2=O)[C@H]1C 1088782138 BCNBDSXIHWPBCL-OLZOCXBDSA-N 313.361 -0.292 30 20 DBED C#CCN1C[C@H]2[C@@H]3CC[C@@H](CN3C(=O)C3CS(=O)(=O)C3)[C@H]2C1 1089805189 CHZUOOUWYRRYPX-MYPMTAMASA-N 322.430 -0.167 30 20 DBED C=C(C)CCN1CC[C@H](NC(=O)C2CN(C(C)=O)C2)[C@@H](O)C1 1090219177 MMBSBIFGTSCNTR-GJZGRUSLSA-N 309.410 -0.018 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2csc(NC(C)=O)n2)[C@@H](O)C1 1090382096 OQJKAFYVKJSIIU-PWSUYJOCSA-N 322.390 -0.100 30 20 DBED C#CCN1CC[C@H](NC(=O)c2ccnc3nc(C)nn23)[C@H](O)C1 1090724520 KJQUDGXQJFBWIU-WCQYABFASA-N 314.349 -0.769 30 20 DBED CO[C@@H]1CN(c2ccncc2C#N)C[C@H]1NC(=O)CC(N)=O 1090877229 JLDBDZCFQDWIKK-ZYHUDNBSSA-N 303.322 -0.852 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@@H]1O 1091081957 SYFVQSNYSMVWBT-KGLIPLIRSA-N 302.334 -0.178 30 20 DBED COCc1cc(N2C[C@H](O)[C@H](NC(=O)[C@@H](C)C#N)C2)ncn1 1091082269 BISUGFXMQWHMCJ-WCQGTBRESA-N 305.338 -0.552 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(c2nccnc2F)C[C@@H]1O 1091150164 MMGVRUUFMVBZSB-MNOVXSKESA-N 308.313 -0.679 30 20 DBED CCNC(=O)CC(=O)N[C@H]1CCN(c2ccc(C#N)nn2)[C@@H]1C 1091965684 MNVQZLYQPNOMSK-PWSUYJOCSA-N 316.365 -0.042 30 20 DBED CCOCC(=O)N[C@H]1CCN(c2cnc(C#N)cn2)C[C@H]1O 1092130020 UGELNMOGBKHUEA-NWDGAFQWSA-N 305.338 -0.559 30 20 DBED C[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1CNC(=O)CC(N)=O 1092357742 DXFHUDMCYZTCBH-NXEZZACHSA-N 302.338 -0.588 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)Cn3ccnc3)c3nccn32)C1 1092413785 FWMVKJWIBDODNX-GFCCVEGCSA-N 311.349 -0.125 30 20 DBED CC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(C#N)nn1 1092935062 KMIIVVZLFBQVRE-UPJWGTAASA-N 314.349 -0.290 30 20 DBED COC(=O)NCC(=O)N1CCN(c2ccncc2C#N)CC1 1093135196 ZNHHBSJFNNYUEC-UHFFFAOYSA-N 303.322 -0.042 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCN(c2nccn3nnnc23)CC1 1093148373 GEMQNQJVUPCGNU-CQSZACIVSA-N 317.353 -0.505 30 20 DBED C#CCNC(=O)CC(=O)NCCNc1ncnc2c1cnn2C 1093558413 TXKIJMZSBJUBAA-UHFFFAOYSA-N 315.337 -0.969 30 20 DBED CC(C)S(=O)(=O)CC(=O)NCCN=c1cc[nH]c(C#N)n1 1093645402 CURAZDBSFRDIJB-UHFFFAOYSA-N 311.367 -0.879 30 20 DBED CNS(=O)(=O)CCC(=O)NCCNc1ccc(C#N)cn1 1093878477 QNZLXJKNOJTSHX-UHFFFAOYSA-N 311.367 -0.579 30 20 DBED N#Cc1c[nH]ccc1=NCCNC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1094301459 DINIPXQGMCNSRF-KCQAQPDRSA-N 316.361 -0.045 30 20 DBED N#Cc1ccc(NCCCNC(=O)CCn2cncn2)nn1 1094308992 VHLCCOZZPATTCE-UHFFFAOYSA-N 300.326 -0.052 30 20 DBED CCc1nc[nH]c1C(=O)NCc1cn(C2CN(CC#N)C2)nn1 1094336723 OEFXVJOLQWINEB-UHFFFAOYSA-N 314.353 -0.126 30 20 DBED N#CCN1CC(N2C[C@H](NC(=O)c3cscn3)CC2=O)C1 1094712064 UDSRTGBJFOSALD-SECBINFHSA-N 305.363 -0.318 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)c3oncc3C)CC2=O)C1 1094803711 IZXSUFJCIACIAD-NSHDSACASA-N 302.334 -0.369 30 20 DBED CC#CCN1CC(N2C[C@@H](NC(=O)Cn3ccnc3)CC2=O)C1 1094823511 WNYMJSGLRDWQJY-ZDUSSCGKSA-N 315.377 -0.692 30 20 DBED N#Cc1nccnc1NCCCNC(=O)[C@@H]1CCC(=O)NC1 1094884840 YSQZGPIRESHWGJ-SNVBAGLBSA-N 302.338 -0.207 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1C[C@H](Nc2nccc(C)n2)C1 1097015207 WSEYNVYJCJROOK-HAQNSBGRSA-N 301.350 -0.016 30 20 DBED CCN1CCO[C@@H](C(=O)NC[C@@H](C)Nc2cncc(C#N)n2)C1 1097874282 FSMNFTPBKCJPLJ-DGCLKSJQSA-N 318.381 -0.014 30 20 DBED C[C@H](CNC(=O)c1cn(C)c(=O)n1C)Nc1nccnc1C#N 1097894879 CMLDHYMORFWVLV-SECBINFHSA-N 315.337 -0.384 30 20 DBED C[C@H](NC(N)=O)C(=O)N1CC[C@H](CN=c2cc[nH]c(C#N)n2)C1 1098521960 QEKCTEUFSQMODE-VHSXEESVSA-N 317.353 -0.913 30 20 DBED C=C(Cl)CNCc1cn([C@@H]2CCN(C(=O)C(N)=O)C2)nn1 1098705841 LLZBIYNESJWUBX-SNVBAGLBSA-N 312.761 -0.621 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)c2cccn2C)[C@H](O)C1 1099669640 VNMHLZJSEAWVIM-TZMCWYRMSA-N 320.393 -0.508 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2ccnn2C)[C@H](O)C1 1099711515 ATGKYWSNUVJRBD-GXTWGEPZSA-N 306.366 -0.765 30 20 DBED C=CCCC(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[nH]2)C[C@@H]1O 1099728265 WFPMSOYWXOYUIV-QWRGUYRKSA-N 309.370 -0.874 30 20 DBED CN(CCNC(=O)CCn1cncn1)c1ccc(C#N)nn1 1099934227 GKLSBJBWSSJXMH-UHFFFAOYSA-N 300.326 -0.418 30 20 DBED CN1CCC(OCC(=O)N[C@@H]2CCN(CC#N)C[C@@H]2O)CC1 1100056405 UORDIIQYJGGPEE-KGLIPLIRSA-N 310.398 -0.828 30 20 DBED C=CCCN1CC[C@@H](NC(=O)COCc2ncnn2C)[C@H](O)C1 1100057212 CXTWMLRHLDEOAY-CHWSQXEVSA-N 323.397 -0.541 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CCc2cnn(C)c2)[C@@H](O)C1 1100125432 YMHIHYUBCVEHBI-CABCVRRESA-N 304.394 -0.073 30 20 DBED CN(CCNC(=O)[C@@]1(C)CCC(=O)NC1)c1cncc(C#N)n1 1100286249 OVESSXJROICUHW-HNNXBMFYSA-N 316.365 -0.183 30 20 DBED CCN(CCNC(=O)[C@H]1COCCO1)c1ccnc(C#N)n1 1100480169 YRKCJOPJPYPOOQ-LLVKDONJSA-N 305.338 -0.294 30 20 DBED N#Cc1nccnc1N1CC[C@@H](CNC(=O)Cn2cncn2)C1 1100982595 XYXUBQRIIVDJDM-NSHDSACASA-N 312.337 -0.418 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CC(CNC(=O)c2nonc2C)C1 1101069748 TYYJWDPNSFPGRE-VOMCLLRMSA-N 319.365 -0.386 30 20 DBED COCCOCC(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1C#N 1102540828 OIXIDXFCYOHXQD-RYUDHWBXSA-N 317.349 -0.199 30 20 DBED C[C@H](CS(C)(=O)=O)C(=O)NC[C@@H]1CN(CC#N)C[C@H]1C 1102602825 GBNKRLMMPJXQBP-IJLUTSLNSA-N 301.412 -0.125 30 20 DBED CCN(C(=O)C(N)=O)[C@H]1CCN(c2nc(C)cc(C#N)n2)C1 1102832959 DCWHEXQIMZWMBX-NSHDSACASA-N 302.338 -0.431 30 20 DBED C#CCN1C[C@@H](C)[C@H](CCNC(=O)CN2CC(=O)N(C)C2=O)C1 1103638382 CEXBZMRBARFSPJ-CHWSQXEVSA-N 320.393 -0.412 30 20 DBED Cc1nc(O)[nH]c1C(=O)NC[C@H](C)CN=c1cc[nH]c(C#N)n1 1104114976 QUKVEJSGFDABNX-MRVPVSSYSA-N 315.337 -0.015 30 20 DBED N#CCNCc1cn(C2CN(C(=O)C[C@H]3COC(=O)C3)C2)nn1 1105211639 UBCASXYCIRIXHZ-SNVBAGLBSA-N 318.337 -0.772 30 20 DBED Cc1ncc(C(=O)N2CC(n3cc(CNCC#N)nn3)C2)n1C 1105312539 QQDLVVIBKDXHJX-UHFFFAOYSA-N 314.353 -0.370 30 20 DBED CN(CCN(C)c1cnc(C#N)cn1)C(=O)c1ncn(C)n1 1105384401 AQBXITLLBDQXCA-UHFFFAOYSA-N 300.326 -0.315 30 20 DBED Cc1ccc(C#N)c(N(C)CCN(C)C(=O)[C@H]2CNC(=O)N2)n1 1105541058 LQKZSPOHNTTYCF-GFCCVEGCSA-N 316.365 -0.162 30 20 DBED CCNC(=O)CC(=O)N1CCC(OC2CN(CC#N)C2)CC1 1105703939 LWWUZLJUGLZEBQ-UHFFFAOYSA-N 308.382 -0.272 30 20 DBED Cc1cc(=NC[C@H](O)CNC(=O)[C@@H]2CCCN2C)c(C#N)c[nH]1 1105754874 INPOOHJYHJWWOK-ZFWWWQNUSA-N 317.393 -0.333 30 20 DBED Cc1cc(C#N)nc(NC[C@H](O)CNC(=O)CN2CCCC2)n1 1105856225 PYFQZGGGFGFGGE-CYBMUJFWSA-N 318.381 -0.359 30 20 DBED N#Cc1nccnc1NC[C@@H](O)CNC(=O)Cc1cncs1 1105993028 DNSRYNUVYYWINL-VIFPVBQESA-N 318.362 -0.064 30 20 DBED COc1nc(C(=O)NC[C@H](O)CN=c2cc[nH]cc2C#N)co1 1106051045 ZKEQUWYBYZRSMO-SNVBAGLBSA-N 317.305 -0.425 30 20 DBED Cc1cc(C#N)nc(NCC[C@H](C)NC(=O)Cn2cnnn2)n1 1106195518 ZKQKUHOQNMHSFD-VIFPVBQESA-N 315.341 -0.350 30 20 DBED C[C@H](CCNc1cncc(C#N)n1)NC(=O)C1(C(N)=O)CC1 1106550597 ZEKXGRDLCMKIDW-SECBINFHSA-N 302.338 -0.080 30 20 DBED CCN(CCNc1cncc(C#N)n1)C(=O)[C@@H]1COCCN1C 1106731905 MPWNUHHVMBPSHJ-ZDUSSCGKSA-N 318.381 -0.061 30 20 DBED N#Cc1nccnc1NC/C=C/CNC(=O)C[C@H]1CCNC1=O 1107375415 RIWCMQSKLJHOID-FMBMQGQPSA-N 314.349 -0.041 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)CNc1nc[nH]c2ncnc1-2 1107695536 KFWSWQGTUKNIIY-SECBINFHSA-N 315.337 -0.639 30 20 DBED CC(C)(C)OCC(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1 1108536843 JANKRSIVYKKMRT-NSHDSACASA-N 308.382 -0.274 30 20 DBED CC#CCN1CC(N2C[C@@H](NC(=O)CN(C)C(C)C)CC2=O)C1 1108591712 COPHRBIVORLCDZ-AWEZNQCLSA-N 320.437 -0.249 30 20 DBED C[C@H](CN(C)c1cnc(C#N)cn1)NC(=O)[C@@H]1CN(C)CCO1 1108905548 LZIBXSSNVJDWPT-YPMHNXCESA-N 318.381 -0.380 30 20 DBED C[C@@H](CN(C)c1nccnc1C#N)NC(=O)COCCN(C)C 1109039960 UDLSZYJWNSOSMJ-LBPRGKRZSA-N 320.397 -0.133 30 20 DBED C=CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCNS(C)(=O)=O 1109364164 SADBWOKHCHIFNJ-WOPDTQHZSA-N 301.412 -0.167 30 20 DBED Cc1cc(=NC[C@@H](NC(=O)CC(N)=O)C2CC2)c(C#N)c[nH]1 1109800132 RDQKFYBLRPWCPD-CYBMUJFWSA-N 301.350 -0.134 30 20 DBED C[C@H](NC(N)=O)C(=O)N[C@@H](CNc1ccc(C#N)nn1)C1CC1 1109842616 HGNINJDXMQOFFS-KWQFWETISA-N 317.353 -0.288 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H](NC(=O)[C@@H]1CCNC1=O)C1CC1 1109946004 NFEHZRLJYSQQLJ-TZMCWYRMSA-N 313.361 -0.182 30 20 DBED COC(=O)NCC(=O)N[C@@]1(C)CCN(c2ccnc(C#N)n2)C1 1110710966 PZBPPYVRFTUFNR-AWEZNQCLSA-N 318.337 -0.211 30 20 DBED COCC(=O)N[C@]1(CO)CCCN(c2nc(C)cc(C#N)n2)C1 1111336113 IKTBBNCYFUKUGQ-OAHLLOKOSA-N 319.365 -0.249 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCS(=O)(=O)N(C)C 1111444517 IDHAWSOCWRYZCJ-UPJWGTAASA-N 313.423 -0.377 30 20 DBED N#Cc1cnc(NCCN(CCO)C(=O)Cn2ccnc2)cn1 1111485569 ASENXNIUMPKFAS-UHFFFAOYSA-N 315.337 -0.522 30 20 DBED N#Cc1cccnc1NCC1CC(NC(=O)CNC(N)=O)C1 1112816030 UKLSDQSHGAJJRD-UHFFFAOYSA-N 302.338 -0.072 30 20 DBED C[C@H](N=c1cc[nH]c(C#N)n1)[C@@H](C)NC(=O)C(C)(C)C(N)=O 1113187716 DWBVRILEGQRZOS-DTWKUNHWSA-N 304.354 -0.413 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CCNC(=O)C1)N(C)c1cnc(C#N)cn1 1113575601 ZEJAPYUYTXYYAN-WDEREUQCSA-N 316.365 -0.185 30 20 DBED C[C@H](CNC(=O)[C@H]1CCN(C)C1=O)N(C)c1ccc(C#N)nn1 1113827374 ZHSQLASTYPMXTO-ZYHUDNBSSA-N 316.365 -0.233 30 20 DBED Cc1c(C(=O)N[C@H]2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]32)cnn1C 1113856283 BCTYTIFWKFIAEF-IMRBUKKESA-N 316.365 -0.972 30 20 DBED Cn1nnc(CN2C[C@H]3[C@H](NC(=O)CSCC#N)[C@H]3C2)n1 1113891315 POCMEMYSPMSKAJ-GDGBQDQQSA-N 307.383 -0.987 30 20 DBED N#CCSCC(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC3CC3)C[C@@H]21 1113891735 XDQXNESNAHOVFD-JYAVWHMHSA-N 322.434 -0.184 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)C(=O)C(C)(C)C)[C@H]2C1 1114071588 DQNNGQCQNXYVQL-NDBYEHHHSA-N 319.405 -0.214 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@H]2CN(Cc3nc(C)no3)C[C@H]12 1114158080 PROWUURUMMRADX-QWRGUYRKSA-N 317.349 -0.936 30 20 DBED C#CCCCC(=O)N[C@H]1[C@@H]2CN(CCNS(C)(=O)=O)C[C@@H]21 1114201370 OCTBCBZJQHWDKS-IMRBUKKESA-N 313.423 -0.615 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)C[C@H]3CCC(=O)NC3)[C@H]2C1 1114392449 CNQQGEAMKIPJLQ-WVZRYYJFSA-N 319.405 -0.401 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)C(C)(C)NC(C)=O)[C@H]2C1 1114981961 FIKXSPKOJXTVCT-RYUDHWBXSA-N 322.409 -0.750 30 20 DBED N#CCN1C[C@H]2C(NC(=O)CNC(=O)c3cscn3)[C@@H]2C1 1115083446 KKJCFEXWBJITNR-RKDXNWHRSA-N 305.363 -0.557 30 20 DBED CC#CCN1C[C@@H]2C(NC(=O)CCS(=O)(=O)N(C)C)[C@H]2C1 1115282128 IZNHZTZOCQYPKU-RYUDHWBXSA-N 313.423 -0.662 30 20 DBED C[C@@H]1CN(C(=O)C(=O)NCC#Cc2ccccc2)C[C@@H](CO)O1 1116987014 ALOZLVXLBYTYLB-HIFRSBDPSA-N 316.357 -0.238 30 20 DBED C=C(C)C[C@@H](NC(=O)[C@@H](C)N1CCNCC1=O)C(=O)OCC 1119309093 VATPKBYHTLNWJU-VXGBXAGGSA-N 311.382 -0.179 30 20 DBED C#CC1(O)CN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)C1 1120307071 QXXZXJJZZOGELM-UHFFFAOYSA-N 306.343 -0.060 30 20 DBED CC(=O)NCC(=O)NC[C@@H](CO)Nc1cccc(F)c1C#N 1121127559 CMIXUAUQPWTSOS-JTQLQIEISA-N 308.313 -0.278 30 20 DBED Cc1cnn(CC(=O)NC[C@H](CO)Nc2ccc(C#N)nn2)c1 1121160335 YQSMRYULLJZNDM-GFCCVEGCSA-N 315.337 -0.558 30 20 DBED CN1CCC[C@H]1C(=O)NC[C@H](CO)N=c1cc[nH]cc1C#N 1121239956 FSKSECVKVFXTQC-OCCSQVGLSA-N 303.366 -0.642 30 20 DBED Cc1conc1C(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1 1121976576 BQPQKYQAOLZNRK-VIFPVBQESA-N 302.294 -0.731 30 20 DBED COCCO[C@H](C)C(=O)NC[C@H](CO)Nc1ccc(C#N)nc1 1122012664 MPRLJTHCQDAKCG-BXUZGUMPSA-N 322.365 -0.106 30 20 DBED Cc1cc(=N[C@H](CO)CNC(=O)c2ccnnc2)c(C#N)c[nH]1 1122603889 GQBOLGOTSGMMKD-ZDUSSCGKSA-N 312.333 -0.324 30 20 DBED CC[C@@H](NC(C)=O)C(=O)NC[C@@H](CO)N=c1cc[nH]cc1C#N 1122644841 OLUHZTROKHUBHH-QWHCGFSZSA-N 319.365 -0.821 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)c2cc[n+]([O-])cc2)C1=O 1123046300 CIIQIRNMCPFRPY-CYBMUJFWSA-N 304.350 -0.574 30 20 DBED N#Cc1cncc(NC[C@H]2CC[C@H](NC(=O)CC(N)=O)C2)n1 1123754265 UOLATPGCXFDXLV-UWVGGRQHSA-N 302.338 -0.080 30 20 DBED Cc1ccc(C#N)c(NC[C@H](O)CN(C)C(=O)CNC(N)=O)n1 1124076026 CTFHYDJTEWURAV-NSHDSACASA-N 320.353 -0.839 30 20 DBED C#CCOCCC(=O)N(C)C[C@H](O)CN(C)c1ncccn1 1125162593 SAYIGAGGUHQFLU-ZDUSSCGKSA-N 306.366 -0.228 30 20 DBED C#CCCCC(=O)NCCNCCCNS(=O)(=O)CC 1126339131 QWVIMEHSSQXWOA-UHFFFAOYSA-N 303.428 -0.175 30 20 DBED C#CCNC(=O)CC(=O)N(C)CCOCCNc1ncccn1 1127286178 OYLVGNZZQRELJX-UHFFFAOYSA-N 319.365 -0.497 30 20 DBED C=CCCN1CCn2ncc(CNC(=O)Cn3cnnn3)c2C1 1128224295 OICRLZXMGDHQAR-UHFFFAOYSA-N 316.369 -0.422 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)[C@H]1CCCC(=O)N1 1130037714 SXAGKYAAXUNKHY-CYBMUJFWSA-N 322.409 -0.439 30 20 DBED C#CCCN1C[C@H]2C[C@H]3CN(C(=O)[C@@H](C)CC(N)=O)C[C@@]3(C1)O2 1131252519 TZTGXMQOPNDYBO-SZOQZIPDSA-N 319.405 -0.177 30 20 DBED C=CCCN1CCNC(=O)CCN(C(=O)CN(C)C(C)=O)CC1 1131334020 JIWQENXZXZKEHA-UHFFFAOYSA-N 324.425 -0.309 30 20 DBED C#CCN1CC[C@@]2(C1)CN(C(=O)C1(C(=O)NC)CC1)C[C@@H](C)O2 1131687524 BLZPQPCCWZZRAL-CZUORRHYSA-N 319.405 -0.162 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)CCCN(C)C 1133040142 COQSOLGIRUTQOD-UHFFFAOYSA-N 311.430 -0.204 30 20 DBED CCOC1CC2(C1)C[C@H]2C(=O)NCCNCC(=O)NCC#N 1133793115 JFBKOFZUHPJQNJ-AVERBVTBSA-N 308.382 -0.463 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)CN1CCC(C)(C)C1 1133896868 SOFLDVVWGBHPDE-CYBMUJFWSA-N 308.426 -0.438 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)c1nccnc1N)NCC(=O)NCC#N 1133953379 IFAPMUXDTSZGCD-VHSXEESVSA-N 319.369 -0.815 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)c1nn(C)cc1C 1134333374 NNBRTMAUUTYUHZ-STQMWFEESA-N 319.409 -0.036 30 20 DBED C=CCn1cc(C(=O)NCCNCC(=O)NC2CCCC2)nn1 1134970325 SGQGGPVLLIRZJV-UHFFFAOYSA-N 320.397 -0.158 30 20 DBED Cc1nc(C(=O)N[C@@H](C)C[C@@H](C)NCC#N)nn1-c1nc[nH]n1 1135140743 SSSIMBJNKRWWDX-BDAKNGLRSA-N 317.357 -0.296 30 20 DBED Cc1n[nH]cc1C(=O)N[C@@H](C)C[C@@H](C)NCC(=O)NCC#N 1135156257 DYLQGLZWNDQIIT-ZJUUUORDSA-N 306.370 -0.156 30 20 DBED CO[C@H](C)CCC(=O)N1CC2(CCN(CC(=O)NCC#N)C2)C1 1147393059 YAAPZVLYBWZFDR-CYBMUJFWSA-N 322.409 -0.024 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)C[C@H](C)N1CCCC1=O 1147614658 GZRFZRCDECKDIF-STQMWFEESA-N 322.409 -0.769 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1ncc2n1CCCC2 1151586638 JRRWWPAAJKFPOC-LBPRGKRZSA-N 317.393 -0.323 30 20 DBED CCCNC(=O)NC(C)(C)C(=O)NCCNCC#CCOC 1152297799 UMPAUUQCNVQQIK-UHFFFAOYSA-N 312.414 -0.170 30 20 DBED C=CCCOCC(=O)NCCNCC(=O)NCC(F)(F)F 1153080697 CHVFVFYWAKEXEG-UHFFFAOYSA-N 311.304 -0.037 30 20 DBED Cc1[nH]nc(Cl)c1C(=O)NCCCNCC(=O)NCC#N 1159553159 OEDXHJDWFOMNSP-UHFFFAOYSA-N 312.761 -0.279 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)[C@@H](C)c1cncnc1 1164514159 VCWASDIBZAVCAG-QWHCGFSZSA-N 317.393 -0.186 30 20 DBED C[C@@H](CCCCNCC(=O)NCC#N)NC(=O)[C@H]1CCOC1 1169610639 WWNPEJMHTKFQHD-STQMWFEESA-N 310.398 -0.073 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@@H](C)OCCOCC 1176871690 XZUZCMMEGOZHQX-CYBMUJFWSA-N 315.414 -0.174 30 20 DBED C=CCCC(=O)N1CC[C@H]2OCCN(Cc3nnn(C)n3)[C@@H]2C1 1176954679 HRZFUIRUBZEQLQ-CHWSQXEVSA-N 320.397 -0.022 30 20 DBED C#CCCCC(=O)N1CC[C@H]2OCCN(CC(=O)NC)[C@@H]2C1 1177006175 MGCFTUDFKRRZGY-ZIAGYGMSSA-N 307.394 -0.162 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)[C@H](CC(C)C)C(N)=O 1177524878 UORSJTADXJEAGG-QWHCGFSZSA-N 324.425 -0.632 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)c2ccnnc2)[C@H]1C 1179598446 HGPMEUBLCVWRGS-DYEKYZERSA-N 315.377 -0.193 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)Cn2ccnc2)[C@H]1C 1180287827 KSTQDAWRTXHVKJ-RDBSUJKOSA-N 317.393 -0.400 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)CCc2cc(C)on2)C1 1185586503 PMNRBQWRJHHSQI-CQSZACIVSA-N 318.377 -0.144 30 20 DBED CC(C)C#CC(=O)N1CC[C@H]2CN(CC(=O)NCC#N)C[C@H]21 1187804830 QVHXHRWBLDSNDB-UONOGXRCSA-N 302.378 -0.182 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@H]1CCN(C(=O)c2cnn(C)c2)C1 1188814989 YITVBXOLIRMPQW-JSGCOSHPSA-N 317.393 -0.296 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2nccn2CC)C1 1189883292 SQHKVRATCHSUEO-CYBMUJFWSA-N 317.393 -0.201 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@H](N(C)Cc2nncn2C)C1 1190093935 FFROZCVQORFZHS-OLZOCXBDSA-N 305.382 -0.114 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)[C@@H]2CCCCN2C)C1 1190948021 SGPLPZLRMQTOHB-GJZGRUSLSA-N 320.437 -0.247 30 20 DBED CCn1nnc(C)c1CN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)C#N)C1 1191854786 RYKYWOAKRGQMJJ-UFGOTCBOSA-N 306.370 -0.573 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)c2ccns2)C1 1193385024 ZLRWXAQANWCCKJ-HBNTYKKESA-N 322.390 -0.944 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)c2cc(C)[nH]n2)CC1 1199511803 AYFQBNQTCMUJSC-UHFFFAOYSA-N 303.366 -0.338 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)[C@H]2CCNC(=O)C2)CCCO1 1200238488 MVQUBPRXCLXRIU-UONOGXRCSA-N 307.394 -0.257 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)CCN(C)C)CCCO1 1201335991 RUUGFHQENKKCBN-OAHLLOKOSA-N 311.426 -0.205 30 20 DBED C=CCNC(=O)[C@@H](C)NC1CCN(C(=O)[C@@H](C)CC(N)=O)CC1 1201957633 AJXMIWOBKCRSLD-NWDGAFQWSA-N 324.425 -0.231 30 20 DBED C=CCNC[C@H]1CN(C(=O)[C@H]2CCCS2(=O)=O)CCCO1 1202107976 DMRBEHREJLXXQE-QWHCGFSZSA-N 316.423 -0.043 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)C2CCOCC2)[C@H](C)C1 1205709982 IRRZVWLRIHEWDB-VNHYZAJKSA-N 321.421 -0.013 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)[C@@H]2CCN(C)C2)CC1 1206927823 SBYJUWIOAHGDFI-OAHLLOKOSA-N 320.437 -0.484 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)c2cncnc2C)C1 1207488815 FZKBEZXZLXPYGJ-ZDUSSCGKSA-N 315.377 -0.271 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)CN2CCOCC2)C1 1207856830 NEFPWKKDXZSIGT-AWEZNQCLSA-N 324.425 -0.799 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)[C@H](C)OCC#C)C1 1208018410 OPVGKIXMLLPHOM-KBPBESRZSA-N 305.378 -0.645 30 20 DBED COCC#CCN[C@@H]1CCCN(C(=O)c2cn(C)c(O)n2)C1 1209432580 LLBBJERCIDKWKR-GFCCVEGCSA-N 306.366 -0.030 30 20 DBED CC[C@@H](NC(C)=O)C(=O)N1CCC[C@@H](NCC(=O)NCC#N)C1 1209743334 CBGLUHHOKSRZON-CHWSQXEVSA-N 323.397 -0.879 30 20 DBED CC#CCN[C@H]1CCCN(C(=O)CN2C(=O)CN(C)C2=O)C1 1210983630 FADCCUGESPHGNX-LBPRGKRZSA-N 306.366 -0.516 30 20 DBED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)[C@H]1CC1(C)C 1212125032 IIVUJNURFDUHTM-IJLUTSLNSA-N 308.382 -0.512 30 20 DBED C#CCN1C[C@@H](NC(=O)CCc2c(C)ncnc2O)[C@H](OC)C1 1212509445 AOOYEGDKCSXAFL-ZIAGYGMSSA-N 318.377 -0.128 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2COCCN2C)C[C@H]1C 1214454605 VZFLJTRVEJWMFQ-MCIONIFRSA-N 324.425 -0.944 30 20 DBED CCN(C)C(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H](C)C#N 1217528827 VVPOJDIGCHOKRS-RWMBFGLXSA-N 308.382 -0.464 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2cccs2)C1 1219118074 HLROAZOPFUEXDY-MNOVXSKESA-N 309.391 -0.175 30 20 DBED C[C@@H](O)CCCN1C[C@H](O)[C@H](NC(=O)CSCC#N)C1 1219216442 MDJRZHCXMXODBW-UTUOFQBUSA-N 301.412 -0.435 30 20 DBED CCN1CC[C@@H](N2C[C@H](O)[C@H](NC(=O)C#CC(C)(C)C)C2)C1=O 1219598159 LGGWUKRKJSXCMD-MCIONIFRSA-N 321.421 -0.182 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)CCc2ccn(C)n2)C1 1219724599 SSWHHWRRXZLYDT-CABCVRRESA-N 322.409 -0.283 30 20 DBED C=CCCCN1CC[C@@H]2CN(C(=O)CN3CCNC(=O)C3)[C@@H]2C1 1221730702 OWXNJHWLCLFKSB-HUUCEWRRSA-N 320.437 -0.083 30 20 DBED CNC(=O)NC(=O)[C@H](C)N1CCC(NC(=O)[C@H](C)C#N)CC1 1226647831 DQGRDVMQUJAKID-ZJUUUORDSA-N 309.370 -0.429 30 20 DBED Cn1ccc(C(=O)NC2CCN(CC(=O)NCC#N)CC2)c1 1226850254 CNNRYAIYRSBCPG-UHFFFAOYSA-N 303.366 -0.141 30 20 DBED CCN(CCC#N)C(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C(N)=O 1228321150 ZHZYZMFKYWLQPP-VXGBXAGGSA-N 323.397 -0.749 30 20 DBED CN(C)C(=O)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N 1320033269 UHICADHCKRKFMF-UHFFFAOYSA-N 320.353 -0.347 30 20 DBED C#CCOCCNC(=O)C(=O)NC1CCN(CC(F)F)CC1 1321986585 CDCCBLINEOZEAE-UHFFFAOYSA-N 317.336 -0.402 30 20 DBED C=C(C)CN(CC)C(=O)C(=O)Nc1ncn(CC(=O)N(C)C)n1 1324316987 WBNLPQHZEORLJJ-UHFFFAOYSA-N 322.369 -0.271 30 20 DBED C=C[C@H](COC)NC(=O)NCCS(=O)(=O)N1CCOCC1 1325616963 YFNOHKJYYAYXAI-LLVKDONJSA-N 321.399 -0.851 30 20 DBED NCCCCNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1326376245 SLLWXGLDFUZQKO-UHFFFAOYSA-N 324.406 -0.030 30 20 DBED CCC(=O)N1CC[C@@H](NC(=O)C(=O)N2CCC[C@@H](C#N)C2)C1 1333016025 YYZITUJIPQFIAC-NWDGAFQWSA-N 306.366 -0.124 30 20 DBED C#CCN(CC1CC1)C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1OC 1333805341 YDKDBWCCXXWIGX-VXGBXAGGSA-N 300.380 -0.147 30 20 DBED C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)C[C@@H]1CO 1334713140 QVNWDGCVPMSBTR-JMSVASOKSA-N 309.366 -0.660 30 20 DBED CCN1CCC[C@@H](NC(=O)C(=O)N2CCC[C@@H](C#N)C2)C1=O 1336250155 OEZKYTSSBARCOP-NWDGAFQWSA-N 306.366 -0.124 30 20 DBED C[C@@H]1CCOCCN1C(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1338092492 UESJMJZOHARUAU-OCCSQVGLSA-N 320.393 -0.177 30 20 DBED C=CCn1c([C@@H](O)COC)nnc1N1CC[C@@H](NC(C)=O)C1 1340658096 GWXRZLLMQXPNRO-NEPJUHHUSA-N 309.370 -0.141 30 20 DBED N#CCCCCNC(=O)C(=O)NCCCN1C(=O)CCC1=O 1341850028 NTTQGXWSFHECRI-UHFFFAOYSA-N 308.338 -0.548 30 20 DBED C=CCCSCCNC(=O)C(=O)NC[C@@H]1COCCO1 1347454145 DYXJZLCMKHVILO-LLVKDONJSA-N 302.396 -0.057 30 20 DBED NC(=O)CN1CCCN(C(=O)c2cccc(C#CCO)c2)CC1 1350578032 BHJHPMQYBSWLCE-UHFFFAOYSA-N 315.373 -0.336 30 20 DBED C[C@@H](CS(C)(=O)=O)NC(=O)C(=O)N1CCC[C@@H](CC#N)C1 1350752014 XYBOZYRSRLYNDC-QWRGUYRKSA-N 315.395 -0.312 30 20 DBED Cc1cc(CN(C)C(=O)Cn2cc(C#N)c(O)nc2=O)no1 1361814520 VEDIDVSAKVCBCJ-UHFFFAOYSA-N 303.278 -0.224 30 20 DBED C[C@@H](C(=O)N1CCN[C@H](c2cnn(C)c2)C1)n1cnc(C#N)n1 1363407150 NSOBZTLPWPGVDI-JQWIXIFHSA-N 314.353 -0.383 30 20 DBED N#Cc1ccc(NCC(=O)N[C@H]2CCc3nnnn3CC2)nc1 1363448704 HUPAIPIARUUXLB-NSHDSACASA-N 312.337 -0.127 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@](C)(CO)C(=O)OC 1363937004 MCVZSELBHVIJSK-KOLCDFICSA-N 307.372 -0.774 30 20 DBED N#CC1(CS(=O)(=O)NCc2nnc3c(=O)[nH]ccn23)CC1 1365738734 KUARWTQEIZXYQL-UHFFFAOYSA-N 308.323 -0.859 30 20 DBED CCc1ocnc1C(=O)N(C)C[C@H](O)CNC(=O)[C@@H](C)C#N 1370974691 RPAJDEZCNZFTMB-VHSXEESVSA-N 308.338 -0.054 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CCCN(C(=O)c2ccc(=O)n(C)n2)C1 1372198080 HSOWDLFEWQYSTN-MNOVXSKESA-N 317.349 -0.339 30 20 DBED Cn1ncc(C(=O)NC[C@H](O)CNCc2ccccc2C#N)n1 1379255951 SDLRAVOKXOJYHH-CYBMUJFWSA-N 314.349 -0.433 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@@H](CNC(=O)c2cn(C)c(=O)n2C)C1 1384507327 YMJMBOUQTXJLMZ-GARJFASQSA-N 319.365 -0.492 30 20 DBED CCN(CCNC(=O)[C@H](C)C#N)C(=O)[C@@H]1CCS(=O)(=O)C1 1398131422 AFUVHCHWVVZKOM-GHMZBOCLSA-N 315.395 -0.455 30 20 DBED CNS(=O)(=O)CC(=O)NC[C@@H](C)NCc1ccc(C#N)cc1 1399093901 CSLURYSIXRFEJJ-LLVKDONJSA-N 324.406 -0.298 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CN(C)C(=O)Cc1cncn1C 1405635225 ZJSIILOSYQOEJQ-CMPLNLGQSA-N 307.354 -0.942 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(Cc2nc(C3CC3)no2)C1 1407396058 DWQQUYGVUCMURA-SECBINFHSA-N 305.338 -0.230 30 20 DBED COc1nn(C)cc1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H](C)C#N)C1 1407840207 URZHFGQWRFRVGZ-GUBZILKMSA-N 305.338 -0.035 30 20 DBED COc1nn(C)cc1C(=O)N[C@H]1C[C@H](NC(=O)[C@H](C)C#N)C1 1407840212 URZHFGQWRFRVGZ-OPRDCNLKSA-N 305.338 -0.035 30 20 DBED CCc1nnc(N(C)C[C@@H](C)C#N)n1CCNS(C)(=O)=O 1417490741 UKYMIFAJMOCBJE-JTQLQIEISA-N 314.415 -0.014 30 20 DBED C=C(Cl)CN1CC[C@@H]1CN(C)C(=O)CN1CCNC(=O)C1 1417737947 CWFCJSMIZMEOTO-GFCCVEGCSA-N 314.817 -0.297 30 20 DBED C[C@H](C#N)C(=O)N(C)C[C@H]1CCCN1C(=O)CCn1cnnn1 1423742788 VWGSXGMUGCBDQY-VXGBXAGGSA-N 319.369 -0.328 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@](C)(NC(=O)CN2CCCC2=O)C1 1434160156 XOGNDYYFGWPKQJ-XHDPSFHLSA-N 306.366 -0.124 30 20 DBED COC(=O)N1CCC[C@@H](Nc2[nH]c(=O)n(C)c(=O)c2C#N)C1 1434437729 ZUNNWTJIYHQGHP-MRVPVSSYSA-N 307.310 -0.412 30 20 DBED C[C@@H](C(=O)N1CCC2(CC1)CNC(=O)C2)n1cnc(C#N)n1 1445057167 MSLLJCFIMDAUFV-JTQLQIEISA-N 302.338 -0.161 30 20 DBED CC(C)NS(=O)(=O)CCNS(=O)(=O)CC1(CC#N)CC1 1462928579 QGNJIDWXRMLLIJ-UHFFFAOYSA-N 323.440 -0.073 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCCN(C[C@@H](O)COC)C1 1494271941 ZNCRESPCPACWIX-OAGGEKHMSA-N 323.437 -0.328 30 20 DBED Cc1nccn1CCCC(=O)NC[C@H](O)CNC(=O)[C@@H](C)C#N 1533298006 RRHNQHYAPUYFNX-AAEUAGOBSA-N 321.381 -0.275 30 20 DBED N#Cc1cc(C(=O)N2CCS(=O)(=O)C[C@@H]2CC(=O)O)c[nH]1 1571111507 NBDIIFZDXZAIDC-JTQLQIEISA-N 311.319 -0.400 30 20 DBED C#Cc1ccc(C(=O)N[C@H](C)[C@H](C)NC(=O)CNC(=O)O)nc1 1573311811 HFWROZCUNXZWJO-VHSXEESVSA-N 318.333 -0.047 30 20 DBED C#CCNC(=O)C1CCN(c2nnc(C)n2C[C@@H](C)N)CC1 1574706423 CMRQGVUUXPJMHR-LLVKDONJSA-N 304.398 -0.100 30 20 DBED N#Cc1cn(CC(=O)N[C@]23CCC[C@@H]2NCC3)c(=O)nc1O 1580080787 GZMWOUKKPQCZJV-HZMBPMFUSA-N 303.322 -0.779 30 20 DBED COC[C@H](C#N)OC(=O)[C@H](O)c1ccc(-c2nn[nH]n2)cc1 1591367828 RYSVHMZBSREFOS-WDEREUQCSA-N 303.278 -0.018 30 20 DBED COCC#CCN1C[C@H]2CN(C(=O)[C@H]3C[C@H]3C(=O)O)C[C@H]2C1 1599139311 UMQJDGZSNRYHLB-RFQIPJPRSA-N 306.362 -0.253 30 20 DBED N#Cc1cccc(OCC(=O)NS(=O)(=O)CCC(=O)O)c1 1601121328 IHNPPXZGOLGVCY-UHFFFAOYSA-N 312.303 -0.142 30 20 DBED N#Cc1nc(=NC2CCN(C(=O)[C@@H]3C[C@H]3C(=O)O)CC2)cc[nH]1 1601134723 ZSNOKZYEGMLJKL-GHMZBOCLSA-N 315.333 -0.106 30 20 DBED O=C(CCN/C(O)=C1/N=CC=CC1=O)N[C@H]1CC[C@H]1C(=O)O 1601280154 YWQGAKDUQBGXCB-OGJDZEFESA-N 307.306 -0.118 30 20 DBED C#CCN(CC(=O)O)C(=O)N[C@@H]1CCN(c2cc(O)ncn2)C1 1602684301 UZJFVULKNLBYMI-SNVBAGLBSA-N 319.321 -0.510 30 20 DBED C#CCN1CCC(OC(=O)[C@@H]2CCCN(CC(=O)O)C2=O)CC1 1602700830 LDEJKCYVNYCULE-CYBMUJFWSA-N 322.361 -0.050 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)NC2CC(CC(=O)O)C2)CCO1 1608178746 BEAROBCCLRYFML-UDNWOFFPSA-N 303.340 -0.702 30 20 DBED C[C@@H](C#N)C(=O)NCCCN(C)CC(=O)NC[C@H]1CCCO1 1751952782 MUPHZSMJMXNRGB-QWHCGFSZSA-N 310.398 -0.121 30 20 DBED COCC#CCN[C@@H](CNC(=O)[C@@H]1CCN(C)C(=O)C1)C1CC1 1752470546 HDDPYSFFMLPXCV-CABCVRRESA-N 321.421 -0.011 30 20 DBED C#CCNC[C@@H]1CCCCN1C(=O)CN1CCC(=O)NC1=O 1752831034 YABQRLZIGVHNBK-LBPRGKRZSA-N 306.366 -0.468 30 20 DBED C=CCN1CC[C@@H](NC[C@H](O)CNC(=O)c2cc(C)no2)C1=O 1753905394 UTSDNVONEMAWIN-NWDGAFQWSA-N 322.365 -0.550 30 20 DBED C=CCCCNC[C@H](O)CNC(=O)[C@H]1CCCN(C(N)=O)C1 1753918510 NZDGRVCRUHXGFF-STQMWFEESA-N 312.414 -0.190 30 20 DBED CC(C)(C(=O)NC/C=C/CNCC(=O)NCC#N)c1cnc[nH]1 1754195425 SWPKMQGWYNDXIU-ONEGZZNKSA-N 318.381 -0.411 30 20 DBED C=CCNC(=O)[C@@H](C)NC[C@@H](C)NC(=O)C(=O)NCC(F)F 1754231744 DGBUMBJJOSPCEJ-RKDXNWHRSA-N 320.340 -0.847 30 20 DBED C=CCN1CC[C@H](NCCCN(C)C(=O)[C@H](C)NC(C)=O)C1=O 1754356027 DHVFULMQCFXEDQ-JSGCOSHPSA-N 324.425 -0.264 30 20 DBED C[C@H]1CN(C(=O)COCC2CC2)C[C@@H]1CNCC(=O)NCC#N 1754813573 RAOPYYPSUQAVKD-JSGCOSHPSA-N 322.409 -0.263 30 20 DBED C#CCNC(=O)CN1C[C@H]2CN(C(=O)[C@@H](CC)OC)C[C@H]2C1 1754840349 XEBREHXYXQRGET-HZSPNIEDSA-N 307.394 -0.449 30 20 DBED C=CCNC(=O)CN1CCC[C@](CO)(NC(=O)[C@H](C)OC)C1 1754852713 MSHUZXBBVUZHME-WFASDCNBSA-N 313.398 -0.733 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)[C@@H](CC(C)C)C(N)=O)CO2)C1 1755067875 LLPQWPJEOXENDT-STQMWFEESA-N 307.394 -0.273 30 20 DBED C#CCN(C)C[C@@H]1CCCN1C(=O)CN(C)CC(=O)NC(C)C 1755193730 FPIVPHGNZYZTNP-HNNXBMFYSA-N 322.453 -0.001 30 20 DBED C#CCNC[C@@H](C1CC1)N(C)C(=O)CCCN1C(=O)CNC1=O 1755572572 XSELWEGDUKKOIA-ZDUSSCGKSA-N 320.393 -0.222 30 20 DBED Cc1ncc2n1CC[C@H](C(=O)N(C)C[C@H](O)CNCC#N)C2 1755788237 OVWODXREJFNYHK-GXTWGEPZSA-N 305.382 -0.314 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CC(N(C)C(=O)C2=COCCO2)C1 1755849465 NSDGCILNRCUSAV-PNESKVBLSA-N 321.377 -0.409 30 20 DBED CC#CCN1CC=C(CNC(=O)CCNC(=O)COC)CC1 1755888288 UAGLZNHMVXSZTG-UHFFFAOYSA-N 307.394 -0.089 30 20 DBED C[C@H](CN(C)C(=O)c1cc(C#N)c[nH]1)NC(=O)C1(C(N)=O)CC1 1756441198 LFVXOJQPTAZJMP-SECBINFHSA-N 317.349 -0.271 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H](CO)NC(=O)Cc1cccs1 1756520757 CWYPIKZYCBIETR-RYUDHWBXSA-N 324.402 -0.078 30 20 DBED Cc1nccn1CC(=O)NC[C@@H](CO)NC(=O)C#CC(C)C 1756522604 MZLILWFYBQZHLP-ZDUSSCGKSA-N 306.366 -0.556 30 20 DBED C=CC[C@H](C(=O)NC[C@@H](CO)NC(=O)C(N)=O)c1ccccc1 1756526688 WOKIBQJTJKBNIA-STQMWFEESA-N 319.361 -0.575 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC[C@H](NC(=O)c2ncn(C)n2)[C@H]1C 1757508892 OHMSSGMENDOWEK-JRPNMDOOSA-N 321.381 -0.139 30 20 DBED COC(=O)N1CCN(c2nnc(C[C@H](O)CC#N)n2C)CC1 1772365497 CDAVZUSOIVWMRQ-SNVBAGLBSA-N 308.342 -0.479 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccncn1)CCO2 1783050660 YYURDYZDKLKJFM-OAHLLOKOSA-N 300.318 -0.447 30 20 DBED CC(=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3CC3)[C@H]2C1 1784381339 CHMAABYSGQSJGM-KKUMJFAQSA-N 318.373 -0.032 30 20 DBED N#CCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C2)C1 1784849936 ZBIJBZIEJLKKCG-TWJWRFFLSA-N 319.361 -0.378 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccnc(C)n1 1796659264 IJRXCZGVBKUPDU-JJLQDPRZSA-N 314.345 -0.379 30 20 DBED C=CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1C[C@@H](O)C1)C2 1801000220 UKWSFXKDRBPSMJ-DEWSTNBRSA-N 308.378 -0.077 30 20 DBED CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1CCN(CC(N)=O)CC1 54978234 BAFGTTKWJSBQCQ-WFASDCNBSA-N 309.414 -0.468 30 20 DBED CC#CCN1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 172755442 JKYAUYKTQXLEBU-LBPRGKRZSA-N 320.436 -0.856 30 20 DBED COCCN(CC(=O)OC)CC(=O)N(CCC#N)CCC#N 265046512 OQIOJMGCNPHMQV-UHFFFAOYSA-N 310.354 -0.236 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](CCO)C(C)C)C1=O 268904370 RSYOYMGWTRFLDP-JTQLQIEISA-N 311.338 -0.514 30 20 DBED C#CCNC(=O)c1ccc(N2CCO[C@H](C(=O)NC)C2)nc1 273169880 KKGFAAPEWISVJP-LBPRGKRZSA-N 302.334 -0.604 30 20 DBED C#CCOc1cc(F)ccc1NC(=O)C(=O)N(CCO)CCO 275322314 UEHCSEMXIYFACI-UHFFFAOYSA-N 324.308 -0.411 30 20 DBED N#Cc1cc(F)c(S(=O)(=O)N2C[C@H](O)[C@@H](O)C2)c(F)c1 277609717 XWRWYUSKOXUKNJ-UWVGGRQHSA-N 304.274 -0.437 30 20 DBED Cn1c(NC[C@H](CO)[C@@H]2CCOC2)c(C#N)c(=O)n(C)c1=O 281143100 ZQVFODZEZYTODK-NXEZZACHSA-N 308.338 -0.987 30 20 DBED C=C(C)[C@@H](CC(=O)NCCNS(=O)(=O)N(C)C)OCC 297111019 OGCFVCLTPVQXJO-LLVKDONJSA-N 307.416 -0.130 30 20 DBED COCCN1CC[C@H](/N=C(/O)CN2CCS(=O)(=O)CC2)C1 329266851 GHMWOMGULOPGGE-LBPRGKRZSA-N 319.427 -0.606 30 20 DBED Cn1cncc1C/N=C(/O)N[C@@H]1CCCN(S(C)(=O)=O)C1 329596608 IQUYGNSEEWIJJV-SNVBAGLBSA-N 315.399 -0.152 30 20 DBED Cc1ncc(S(=O)(=O)N2C[C@H]3[C@@H](C2)OCCN3C)cc1C#N 330197671 SDDNYZOBNMDUHF-UONOGXRCSA-N 322.390 -0.035 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCC(O)(CN2CCOCC2)CC1 330889495 BHDWLPMSTJHXTH-HNNXBMFYSA-N 312.410 -0.001 30 20 DBED COC(=O)C1(NS(=O)(=O)N2CCO[C@H](C#N)C2)CCCC1 336931430 ZYZCQMIHQDRFLB-SNVBAGLBSA-N 317.367 -0.469 30 20 DBED COC[C@](C)(CC(=O)OC)NS(=O)(=O)N(C)C[C@H](C)C#N 336934807 DZMVLEFGXKFNRN-PWSUYJOCSA-N 321.399 -0.120 30 20 DBED CCN([C@H]1CCNC1=O)S(=O)(=O)N(CCC#N)CCOC 337206002 LTCYYHZEBYTXQT-NSHDSACASA-N 318.399 -0.696 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CCC[C@@H]2C(=O)NC[C@@H]21 337231501 IXOAPSXDIFOHAO-QWRGUYRKSA-N 300.384 -0.323 30 20 DBED C[C@H]1C[C@H](N2CCOCC2)CN1S(=O)(=O)N(C)CCC#N 352595744 CNEPEYXAFQMSRR-STQMWFEESA-N 316.427 -0.128 30 20 DBED N#Cc1ccc(CS(=O)(=O)CC(=O)N[C@@H]2CNC(=O)C2)cc1 353939106 MTMJJEFMYGIZEF-LBPRGKRZSA-N 321.358 -0.522 30 20 DBED COC(=O)CNC(=O)CN1CC[C@H](Oc2ccc(C#N)cn2)C1 366426492 ZCIQLAOHCHEZNN-LBPRGKRZSA-N 318.333 -0.304 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCCCCN2)CC1 387112521 WSHNAPLSEFGFBU-CQSZACIVSA-N 308.426 -0.035 30 20 DBED CS(=O)(=O)N1CC[C@H](Nc2nccc(C#N)c2[N+](=O)[O-])C1 400154926 HBGLHHHYGLNTIS-VIFPVBQESA-N 311.323 0.307 30 20 DBED CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)N2CCO[C@@H](C#N)C2)O1 408107715 YILZMGLVVQGWLG-WOPDTQHZSA-N 310.354 -0.444 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@@H](CC(C)C)C(N)=O)CC1 413075914 SGHAYDFQLXJNNT-ZDUSSCGKSA-N 324.425 -0.420 30 20 DBED C=CCn1cc(CNS(=O)(=O)N2CCO[C@@H](C#N)C2)nn1 425177345 FZUZFGACOJMHLO-NSHDSACASA-N 312.355 -0.977 30 20 DBED CN(C(=O)C(=O)Nc1ccc(C#N)cc1F)[C@@H]1CCNC1=O 442269885 ZCUNUZTZYUWTND-LLVKDONJSA-N 304.281 -0.017 30 20 DBED C#CCNC(=O)CN1CCN([C@@H](C)C(=O)N[C@@H](C)CC)CC1 491128130 ZDDQPMVCSJTTAZ-KBPBESRZSA-N 308.426 -0.343 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)[C@@H]2CCCS2(=O)=O)C1=O 516782671 YXBNWYBKZSEYFD-QWRGUYRKSA-N 300.380 -0.191 30 20 DBED CC1CC(C#N)(C(=O)NCC(=O)NCCN2CCOCC2)C1 532067508 SOEHXVJHUSSQKU-UHFFFAOYSA-N 308.382 -0.509 30 20 DBED CN1CC[C@]2(CCN(S(=O)(=O)N3CCO[C@@H](C#N)C3)C2)C1 566597022 QFHQCFBEJGQJNA-STQMWFEESA-N 314.411 -0.517 30 20 DBED CC#CC[C@@H](CO)NC(=O)C(=O)Nc1cc(C)[nH]c1C(=O)OC 592318320 CNBSFNPUHKSDOF-JTQLQIEISA-N 321.333 -0.061 30 20 DBED COC(=O)[C@H]1C[C@H](O)CN(C(=O)Cc2noc(C)c2C#N)C1 592935742 IRMQAVIKMIGCQC-UWVGGRQHSA-N 307.306 -0.220 30 20 DBED N#CC1(CNC(=O)C(=O)N2CCO[C@H](C(=O)O)C2)CCCCC1 595276583 QHEZYIHCSFXVEX-NSHDSACASA-N 323.349 -0.111 30 20 DBED C[C@@H]1CCCN(c2c(C#N)c(=O)n(C)c(=O)n2C)[C@@H]1CCO 596440766 GMKBQEMECVRHLN-ZYHUDNBSSA-N 306.366 -0.057 30 20 DBED C=CCOC[C@H](NS(=O)(=O)CC1(N(C)C)CC1)C(=O)OC 601408318 OPVUWZPWOHXRAE-NSHDSACASA-N 320.411 -0.256 30 20 DBED C[C@H]1C[C@H](CO)CN(C(=O)C(=O)N2CCN(CCC#N)CC2)C1 601497313 RKSGJEFTTCJOBM-KBPBESRZSA-N 322.409 -0.479 30 20 DBED C[C@H]1C[C@@H](NC(=O)C(=O)N2CCN(CCC#N)CC2)CCO1 602253798 XEMUZSDBAPAAEK-STQMWFEESA-N 308.382 -0.272 30 20 DBED CCCN(CC)CCNC(=O)C(=O)N1CCN(CCC#N)CC1 602259100 IOLCKEGHTSMYEB-UHFFFAOYSA-N 323.441 -0.108 30 20 DBED N#CC1(NC(=O)Cn2cc(CCN3CCOCC3)nn2)CCC1 603202196 WQEVNFWAILBSRJ-UHFFFAOYSA-N 318.381 -0.285 30 20 DBED CC(C)[C@H](C#N)N1CCN(C(=O)Cn2cccnc2=O)CC1 609458391 RIFWJCCTEKOHFO-ZDUSSCGKSA-N 303.366 -0.064 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(C[C@@H]2CCO[C@H]2C)c1=O 631005754 MXMAFIKJXYNHQK-RYUDHWBXSA-N 307.350 -0.031 30 20 DBED C#CCCCS(=O)(=O)N1CCN(CC(=O)N(C)C)CC1 710309422 JJCFUZCGTAQFNS-UHFFFAOYSA-N 301.412 -0.565 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCCN2C)CC1 732286821 YGEZHFYDGKOCDF-AWEZNQCLSA-N 306.410 -0.636 30 20 DBED C=C(CN(C)C)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 764042146 OKEQTORABFSVQL-UHFFFAOYSA-N 324.425 -0.893 30 20 DBED CCOC(=O)[C@H]1CSCCN1C(=O)Cn1cnc(C#N)n1 769103527 UUZIKJKYZJESAQ-SECBINFHSA-N 309.351 -0.343 30 20 DBED CNS(=O)(=O)c1cc(C(=O)NCC#CCO)ccc1F 773551399 PBNVRSHRFXGITF-UHFFFAOYSA-N 300.311 -0.541 30 20 DBED CCS(=O)(=O)NCC(=O)O[C@@H](C)C(=O)NC1(C#N)CCC1 787741662 AKLJAGUIOFZUMJ-VIFPVBQESA-N 317.367 -0.580 30 20 DBED CC(=NNC1=NC[C@H](C)N1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 811647177 ZOTQKBKIUAYHHY-ZETCQYMHSA-N 300.322 -0.122 30 20 DBED C#CCO[C@@H](C)C(=O)NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 847894251 INNMEQOYPSNAPW-QMMMGPOBSA-N 313.291 -0.167 30 20 DBED C#CCN(C)CCCNC(=O)c1nc(S(C)(=O)=O)ncc1C 854664401 SDQKSNOXXHWJEG-UHFFFAOYSA-N 324.406 -0.127 30 20 DBED C#CC[C@@H](CCOC)NC(=O)N1C[C@H]2C(=O)N(C)C(=O)[C@H]2C1 868818997 MXOABOKZQMZAAD-SDDRHHMPSA-N 307.350 -0.329 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)OC[C@@H]2CCO[C@@H]2C)C1=O 869377197 UKUJHKDWZQVSRL-ZJUUUORDSA-N 310.306 -0.069 30 20 DBED CN(CCC#N)C[C@@H](O)CN1CC(CNC(=O)C(F)(F)F)C1 871992335 WSWJIBPSRRJQLH-LLVKDONJSA-N 322.331 -0.197 30 20 DBED CCc1cc(NC(=O)C(=O)N2CCN(CCC#N)CC2)nn1C 874178605 SLZWBZJQTULPCI-UHFFFAOYSA-N 318.381 -0.021 30 20 DBED C#CC1(O)CN(C(=O)NCCS(=O)(=O)NC(C)(C)C)C1 892023853 QBXHMQVOCMTESY-UHFFFAOYSA-N 303.384 -0.906 30 20 DBED O=C(NCC#CCO)c1c[nH]nc1I 897674627 BVFFAPDUGZRQGH-UHFFFAOYSA-N 305.075 -0.260 30 20 DBED C#CCNC(=O)COC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 914818624 QLILRQBZDFXKKU-MRVPVSSYSA-N 306.240 -0.310 30 20 DBED C=CCOC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 916599846 KTJSBVKTIWPPKT-SECBINFHSA-N 300.336 -0.119 30 20 DBED CN1CC[C@@H]2CN(S(=O)(=O)N3CCO[C@H](C#N)C3)C[C@@H]2C1 916662235 QAYNUBCSKANQRF-FRRDWIJNSA-N 314.411 -0.661 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@H]2CNC(=O)c2cnnn2C)nc1 949699951 IYHDRTPCXRZHTC-LBPRGKRZSA-N 324.344 -0.164 30 20 DBED O=C(Cn1nccn1)N[C@@H]1CCCN(C(=O)C#CC2CC2)C1 950761813 OAXLCHGYFMXPNZ-CYBMUJFWSA-N 301.350 -0.201 30 20 DBED C=CCCn1cc(C(=O)N(CC)C2CN(CC(=O)NC)C2)nn1 952429761 YCFLJPOLRBUEBP-UHFFFAOYSA-N 320.397 -0.254 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2cn3c(n2)COCC3)C1 958180097 YFMWARNKZTVEDZ-YPMHNXCESA-N 304.350 -0.931 30 20 DBED C=CCN1C[C@H](O)[C@H](CNC(=O)c2ccoc2CC(N)=O)C1 958350970 WMUDKHWDJIAFMT-PWSUYJOCSA-N 307.350 -0.484 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2CN(CCOC)C[C@H]2O)nn1 958472541 VMBVZVMEVHOSIQ-DGCLKSJQSA-N 309.370 -0.867 30 20 DBED C=CCCN1C[C@H](O)[C@H](CNC(=O)c2cncc(C(N)=O)c2)C1 958693110 DXEKXVFMXSBSII-KGLIPLIRSA-N 318.377 -0.221 30 20 DBED C=C(Cl)CN1C[C@@H]2C(NC(=O)CN3CCNC(=O)C3)[C@H]2C1 961458309 NAEBLBUEMCGWGS-QWRGUYRKSA-N 312.801 -0.783 30 20 DBED O=C(C#CC1CC1)N1C[C@@H]2CN(C(=O)Cc3nc[nH]n3)C[C@@H]2C1 961540909 IELHBYOEKKSVEG-BETUJISGSA-N 313.361 -0.323 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CN(C(=O)C3(C(N)=O)CC3)C[C@H]2C1 962243575 SSPIOPNDINZOAE-MXWKQRLJSA-N 304.350 -0.672 30 20 DBED COCC(=O)N1CC(N2CCN(C(=O)C#CC3CC3)CC2)C1 967210281 FBDOVOBWRROTPG-UHFFFAOYSA-N 305.378 -0.599 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C=C(C)C)C[C@@H]1O 968345548 BNYUXWOHEIOQPG-ILXRZTDVSA-N 319.405 -0.262 30 20 DBED C#CCCN1CC[C@H](C)[C@H](NC(=O)c2cn(C)c(=O)nc2O)C1 968643744 QIWBSXBCFPRKEF-WCQYABFASA-N 318.377 -0.051 30 20 DBED C=C1CCC(C(=O)N[C@@H]2CN(C(=O)c3cnn[nH]3)C[C@@H]2O)CC1 970328500 CQZVYRVGYLHCLA-OLZOCXBDSA-N 319.365 -0.147 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@H](NC(=O)[C@]2(C)CCNC2=O)C1 970615699 QBGQQVIWOVWJGJ-OHUAYANFSA-N 323.393 -0.587 30 20 DBED C#CCN(C)[C@H]1CCN(C(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 971994575 AXRIHXFRMPYINK-AAEUAGOBSA-N 301.350 -0.469 30 20 DBED C#CCN1C[C@H]2CC[C@H]1CN2C(=O)[C@H]1COCCN1C(C)=O 972132308 ZNOSUFWNJUZEAO-RRFJBIMHSA-N 305.378 -0.458 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)CCn3cncn3)C2)C1 972261954 PRXYZMDZWMXSDX-HNNXBMFYSA-N 303.366 -0.395 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)[C@H]3CCCCC(=O)N3)C2)C1 972546587 QCYSLWGRBJPKMK-RHSMWYFYSA-N 319.405 -0.018 30 20 DBED N#CCN1C[C@@H]2CC[C@H](NC(=O)c3nnc(O)nc3O)C[C@H]2C1 980146748 URIAQTMHBGAXPH-GUBZILKMSA-N 318.337 -0.363 30 20 DBED C=C(Cl)CN(C)[C@@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 980427340 LNAGBDXXAFXVKN-MNOVXSKESA-N 321.830 -0.037 30 20 DBED CN(C[C@H]1CCN(C(=O)CC(N)=O)C1)C(=O)c1c[nH]c(C#N)c1 987858884 XESUHLDJXPSTJU-SNVBAGLBSA-N 317.349 -0.318 30 20 DBED N#Cc1cc(C(=O)NC2CN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C2)c[nH]1 990928054 PDETZSUFRZSIFB-ITGUQSILSA-N 300.318 -0.281 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CN(C(=O)c2cn(C)nn2)C1 992028212 YYXSEZZMKIFRQA-AAEUAGOBSA-N 319.365 -0.263 30 20 DBED Cc1nn(CC(=O)N2C[C@H](NCC#N)C(C)(C)C2)c(=O)n1C 996575763 RYTOIZVOAIGWAT-NSHDSACASA-N 306.370 -0.760 30 20 DBED Cc1nc(C(=O)N2CCC[C@H](NCC#N)C2)nn1-c1nc[nH]n1 999840041 CIQDSRMSRJATPN-JTQLQIEISA-N 315.341 -0.588 30 20 DBED CCN1C[C@@H](C(=O)NCC2CN(C(=O)C#CC3CC3)C2)CC1=O 1002445674 ABYPPYCCJHXPGF-AWEZNQCLSA-N 317.389 -0.157 30 20 DBED N#CCN1CCC[C@@H]1C1CCN(C(=O)Cn2cnnn2)CC1 1004339951 RNQOMKIFCYPECX-CYBMUJFWSA-N 303.370 -0.100 30 20 DBED N#CCN1CCC[C@H](NC(=O)C2(n3cnnn3)CCOCC2)C1 1008821516 SEAGLGWZEJMYOI-LBPRGKRZSA-N 319.369 -0.717 30 20 DBED C[C@H]1[C@H](NC(=O)C2CS(=O)(=O)C2)CCN1C(=O)C#CC1CC1 1011745427 DZABASPOUOOSNM-GXFFZTMASA-N 324.402 -0.450 30 20 DBED N#Cc1cc(C(=O)N2CC[C@H]3CN(C(=O)CC(N)=O)C[C@H]32)c[nH]1 1021426087 KCYCUVYEZZCFPV-JOYOIKCWSA-N 315.333 -0.565 30 20 DBED CC(=O)N1CC(C(=O)N2CC[C@H]3CN(C(=O)[C@@H](C)C#N)C[C@H]32)C1 1021471974 VRHASKCILDXQSW-VHRBIJSZSA-N 318.377 -0.316 30 20 DBED C#CCN[C@H]1C[C@@H](NC(=O)C2(n3cnnn3)CCOCC2)C1 1022839765 SXCULPJOAWSLQP-TXEJJXNPSA-N 304.354 -0.951 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC(=O)NC2)C1 1024530125 RRTGDZBYYCAPTQ-IJLUTSLNSA-N 323.393 -0.587 30 20 DBED C#CCN1CC(CNC(=O)[C@@H]2COCCN2CC(F)F)C1 1031875883 FEWMITLIDMIWHL-LBPRGKRZSA-N 301.337 -0.367 30 20 DBED C#CCN1CCCC[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)C1 1034509797 PDSZKWYFJOSJIB-CYBMUJFWSA-N 305.382 -0.506 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)[C@@H]2CCCN(C(C)=O)C2)C1 1035436342 CBTNSQZCEODLNM-CABCVRRESA-N 307.394 -0.305 30 20 DBED C#CCN1CCO[C@H](CNC(=O)c2ccc(CNC(C)=O)o2)C1 1035550410 NPRCTIYKWARPNT-CQSZACIVSA-N 319.361 -0.021 30 20 DBED C=CCCN1CCO[C@@H](CNC(=O)[C@H]2CCCS2(=O)=O)C1 1035610007 KIOAOYNVGWRUMM-QWHCGFSZSA-N 316.423 -0.043 30 20 DBED C=C(C)CN1CCO[C@H](CNC(=O)[C@H]2CCS(=O)(=O)N2)C1 1035614164 NSOYTCZVHXTRPA-VXGBXAGGSA-N 317.411 -0.929 30 20 DBED C#CCN[C@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)C[C@H]1C 1036255491 CBRLKHYYKKBKDK-MNOVXSKESA-N 314.349 -0.509 30 20 DBED C#CCCCC(=O)NC[C@@]1(O)CCN(C(=O)c2ccn(C)n2)C1 1039576778 XHNBZTJFRWGDBI-INIZCTEOSA-N 318.377 -0.083 30 20 DBED C#CCOCCC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2CC23CC3)C1 1039722220 TVTNKQFTGNOUIN-GUYCJALGSA-N 320.389 -0.094 30 20 DBED COCC1(C(=O)NC[C@]2(O)CCN(C(=O)[C@H](C)C#N)C2)CC1 1040299069 YDHJCRUNQBPDGC-IAQYHMDHSA-N 309.366 -0.348 30 20 DBED C=C(C)C(C)(C)C(=O)NC[C@@]1(O)CCN(C(=O)CC(N)=O)C1 1040473649 UDWZAYVUHNLMFQ-HNNXBMFYSA-N 311.382 -0.456 30 20 DBED C=CCN1CC[C@@]2(CCN(C(=O)CN3CCNC(=O)C3)C2)C1 1041540302 MAZZELYCCZMISV-MRXNPFEDSA-N 306.410 -0.471 30 20 DBED N#Cc1nc(=N[C@H]2C[C@H]3CC[C@H]2N(C(=O)c2nc[nH]n2)C3)cc[nH]1 1041666480 IEQQDCBTVNXGGP-OUAUKWLOSA-N 324.348 -0.007 30 20 DBED C#CCCN1CC[C@]2(CCN(C(=O)Cn3c(O)nnc3O)C2)C1 1041804744 CFUKVGZIXGRXDS-HNNXBMFYSA-N 319.365 -0.363 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)c2cn(C)nc2C)C1 1042039643 FZYRQQLOXJJRTH-UHFFFAOYSA-N 322.365 -0.766 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)CNC(=O)CC)C1 1042112196 IAGTZNDBWACIPM-UHFFFAOYSA-N 311.382 -0.586 30 20 DBED C#CCN1CC[C@@H]2CCN(C(=O)CN3CCCNC3=O)C[C@H]21 1042137027 YIXKAAMTNGPMCC-ZIAGYGMSSA-N 304.394 -0.042 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)[C@H]2CCCCO2)C1 1042564134 CMXSYSPDUFBBNS-GFCCVEGCSA-N 312.366 -0.552 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)c2cnccn2)C1 1042803249 VJAAFJXWGVZQFX-UHFFFAOYSA-N 302.334 -0.417 30 20 DBED O=C(C#CC1CC1)NCC1(O)CN(C(=O)C[C@@H]2CCCO2)C1 1042957990 CUKHRYQEABYIHM-ZDUSSCGKSA-N 306.362 -0.342 30 20 DBED O=C(C#CC1CC1)NCC1(O)CN(C(=O)CC[C@@H]2CCOC2)C1 1042959063 VAFIDLAMKCPOMI-CQSZACIVSA-N 320.389 -0.094 30 20 DBED C[C@@H]1CN(C(=O)Cc2nc[nH]n2)C[C@H]1Nc1cnc(C#N)cn1 1043324103 MKYZLMOTDVMNTG-MWLCHTKSSA-N 312.337 -0.032 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)Cc2ncccc2F)C1 1045152625 NWNGLZMLQMIHRL-JTQLQIEISA-N 320.324 -0.388 30 20 DBED N#Cc1c[nH]c(C(=O)N2CCN([C@@H]3CCN(CCO)C3)CC2)c1 1046017471 MTDPNUYPTIVXIG-CQSZACIVSA-N 317.393 -0.289 30 20 DBED C=C(C)CN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCS(=O)(=O)C2)C1 1047450504 ZAWKLXXWTVFHRT-AVGNSLFASA-N 316.423 -0.499 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)C2 1050660977 KWOLFBGOYRDWHZ-QWHCGFSZSA-N 305.378 -0.423 30 20 DBED C=CCN1CCOC[C@H]1CNC(=O)[C@H]1CCCCS1(=O)=O 1050953716 KSUMRXPYCKCBHW-CHWSQXEVSA-N 316.423 -0.043 30 20 DBED C=CCN1CCOC[C@@H]1CNC(=O)[C@H]1CCCCS1(=O)=O 1050953718 KSUMRXPYCKCBHW-QWHCGFSZSA-N 316.423 -0.043 30 20 DBED C=C(Cl)CN1CCOC[C@H]1CNC(=O)[C@@H]1CCC(=O)N1 1051216140 DLDMVYKRRRGLJM-MNOVXSKESA-N 301.774 -0.166 30 20 DBED CNC(=O)CN1CCN([C@@H]2CCN(C(=O)C#CC3CC3)C2)CC1 1052027030 WOZWMLBZHJOKCX-OAHLLOKOSA-N 318.421 -0.636 30 20 DBED CC#CCN1CCN([C@@H]2CCN(C(=O)c3[nH]nnc3C)C2)CC1 1052060570 HUVIVGRTAQBVMK-CQSZACIVSA-N 316.409 -0.031 30 20 DBED Cc1nonc1CC(=O)N1CC[C@@H](N2CCN(CC#N)CC2)C1 1052102883 KFDUDIWXFDVTBC-CYBMUJFWSA-N 318.381 -0.337 30 20 DBED C[C@H]1CN(C(=O)c2cnn[nH]2)C[C@@H]1CNC(=O)CSCC#N 1052918863 ACUDWSFYSCEAHF-UWVGGRQHSA-N 322.394 -0.114 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC2(CN(CCO)C2)O1 1053662996 CHFGFMAEWFNKAM-MCIONIFRSA-N 310.394 -0.081 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)C[C@@H]3CCNC3=O)CO2)C1 1053827697 GKIMRAJBNPAKDP-STQMWFEESA-N 305.378 -0.505 30 20 DBED N#Cc1cncc(N2CCN(C(=O)c3cc[n+]([O-])cc3)CC2)n1 1055712860 TXLAQQJTXGMMGD-UHFFFAOYSA-N 310.317 -0.056 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(c2cncc(C(=O)N(C)C)n2)CC1 1055742292 NIAVHBZTUWTRGH-NSHDSACASA-N 316.365 -0.013 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@](CO)(NC(=O)c2cn(C)nn2)C1 1055925076 QWLANZGRIZCPHF-QMTHXVAHSA-N 320.353 -0.942 30 20 DBED C[C@@H](C#N)C(=O)N[C@@]1(CO)CCCN(C(=O)c2cnsn2)C1 1056093580 LAYOYPAMEMNDMS-ZANVPECISA-N 323.378 -0.219 30 20 DBED Cn1cc(C(=O)N[C@H]2[C@@H]3CN(c4ccc(C#N)nn4)C[C@@H]32)nn1 1056197773 GMQRBDKFKOJZMA-IWIIMEHWSA-N 310.321 -0.659 30 20 DBED CN(c1cncc(C#N)n1)[C@@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 1056910518 WROPZKCQDYYVEP-GHMZBOCLSA-N 316.321 -0.506 30 20 DBED O=C(NCCN(CCO)C(=O)C#CC1CC1)c1cncnc1 1057531214 JGSWVTWKHRKQRD-UHFFFAOYSA-N 302.334 -0.559 30 20 DBED C#CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)[C@@H](C)OCC#C 1057584121 FOVXTDHQURDKMM-UONOGXRCSA-N 324.377 -1.000 30 20 DBED C#CCO[C@H](C)C(=O)N(CCO)CCNC(=O)c1ccn(C)n1 1057584291 JALIXGIAHLXDPZ-GFCCVEGCSA-N 322.365 -0.991 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)c1cn(C)c(=O)n1C 1057909147 DMYATGYKTBJZSV-UHFFFAOYSA-N 324.381 -0.759 30 20 DBED C=CCO[C@H](C)C(=O)N(CCO)CCNC(=O)c1ccnn1C 1057921174 BFTFYXCOZOABTQ-GFCCVEGCSA-N 324.381 -0.438 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(CCO)CCNC(=O)C1CCC1 1057962120 IIDIWKCBEDLGDR-HNNXBMFYSA-N 321.421 -0.179 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)c1ccc(=O)n(C)c1 1058061040 FSDXHDCBFOXOSK-UHFFFAOYSA-N 321.377 -0.098 30 20 DBED CN1C[C@H](C(=O)N[C@@H]2CCN(c3ccnc(C#N)n3)C2)CC1=O 1058578722 ZXWVYWLMBNUTPT-GHMZBOCLSA-N 314.349 -0.479 30 20 DBED N#Cc1cncc(NC[C@H]2CCN(C(=O)[C@H]3CCC(=O)N3)C2)n1 1060826788 GOERRMRSHWUYQY-ZYHUDNBSSA-N 314.349 -0.113 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)CNC(=O)CC)CCO1 1064982469 GZEGDYJZUVHWIP-GFCCVEGCSA-N 311.382 -0.178 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2ncc[nH]2)CCO1 1065122296 SVUJJJVVWSUHTQ-NSHDSACASA-N 308.338 -0.431 30 20 DBED C=CCCC(=O)N(C)CCCN(C)C(=O)CS(=O)(=O)NC 1066987113 HLSHZFGCXIWHMQ-UHFFFAOYSA-N 319.427 -0.191 30 20 DBED C[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@@H]1N=c1cc[nH]c(C#N)n1 1067117175 FKNKNLLDXOXRDA-KOLCDFICSA-N 312.337 -0.529 30 20 DBED N#Cc1nccnc1N1C[C@@H](O)[C@@H](CNC(=O)c2ccncc2)C1 1067643174 RBIWOUYFVSXPRJ-GXTWGEPZSA-N 324.344 -0.030 30 20 DBED COC[C@H](C)C(=O)N1CC2(CN(C(=O)[C@@H](C)C#N)CCO2)C1 1068450894 APHWGFTVDQKQQS-RYUDHWBXSA-N 309.366 -0.132 30 20 DBED C=CCCC(=O)N[C@H]1COC2(C1)CN(C(=O)c1cnn[nH]1)C2 1068751812 SNGCBESAOFPKNF-SNVBAGLBSA-N 305.338 -0.129 30 20 DBED CC(=O)N(C)CC(=O)N1CC2(C[C@@H](NC(=O)[C@H](C)C#N)CO2)C1 1069002635 GWAYQCZZRGMUIZ-ZYHUDNBSSA-N 322.365 -0.890 30 20 DBED C=C(C)CN[C@@H]1CN(C(=O)[C@H]2COC(=O)N2)C[C@@H]1n1ccnn1 1070186885 USDGGFTYSQMULP-UTUOFQBUSA-N 320.353 -0.696 30 20 DBED C=CCN[C@@H]1CN(C(=O)c2[nH]c(O)nc2C)C[C@@H]1n1ccnn1 1070213043 GAAUKCHJLDJUIU-MNOVXSKESA-N 317.353 -0.143 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CCCN(C(=O)CNC(N)=O)C1 1070409013 MYQVFQVGTPEYIH-GHMZBOCLSA-N 312.370 -0.647 30 20 DBED Cn1cncc1[C@@H]1CN(C(=O)c2cnn[nH]2)C[C@H]1NCC#N 1070663134 OPZXPNVVCASPPX-MWLCHTKSSA-N 300.326 -0.740 30 20 DBED C=CCCC(=O)N[C@H]1CN(C(=O)CS(C)(=O)=O)C[C@@H]1C 1071742705 VHJCMVSLPXXFEH-QWRGUYRKSA-N 302.396 -0.040 30 20 DBED C=CCCC(=O)N1C[C@H](C)[C@@H](NC(=O)C2CS(=O)(=O)C2)C1 1071790152 DLWCZKWVHUQJQW-JQWIXIFHSA-N 314.407 -0.040 30 20 DBED CC(=O)N1CC(C(=O)N2C[C@@H](NC(=O)C#CC3CC3)[C@H](C)C2)C1 1071977833 GBMMSUDHGUNIAZ-IAQYHMDHSA-N 317.389 -0.159 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](NC(=O)Cn2cnnc2O)[C@H](C)C1 1072035530 MQHVZVACVGVNRZ-VXGBXAGGSA-N 319.365 -0.394 30 20 DBED C#CCOCCC(=O)N[C@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@@H]1C 1072300911 XLILNSBDNDOFKP-RYUDHWBXSA-N 323.393 -0.499 30 20 DBED C=CCOCC(=O)N[C@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@H]1C 1072301218 ZPGXQUBCBMATCG-MNOVXSKESA-N 311.382 -0.336 30 20 DBED C=CCOCC(=O)N1CC[C@@H](NC(=O)CC(N)=O)C(C)(C)C1 1073353527 WYLCTMQECMKCIP-LLVKDONJSA-N 311.382 -0.192 30 20 DBED C=CCn1cc(C(=O)NCC2(O)CCN(C(=O)CC)CC2)nn1 1074375441 HGVCNLCNELEUOO-UHFFFAOYSA-N 321.381 -0.043 30 20 DBED C#CCOCCC(=O)N[C@@H](C)CCNC(=O)[C@@H](C)NC(C)=O 1075505815 NKFDSWXCVXFDQX-NWDGAFQWSA-N 311.382 -0.438 30 20 DBED C=CCCO[C@@H](C)C(=O)NCC[C@H](C)NC(=O)Cn1ncnn1 1075849422 NLFQCJSNPHBQND-RYUDHWBXSA-N 324.385 -0.335 30 20 DBED CNC(=O)NCCC(=O)NCC[C@H](C)NC(=O)C#CC(C)C 1076377317 QJSMJODSSOAQEE-LBPRGKRZSA-N 310.398 -0.024 30 20 DBED CC(C)C#CC(=O)NCC[C@H](C)NC(=O)CN1C(=O)CCC1=O 1076410218 DYFAMFVMZFLGGU-LBPRGKRZSA-N 321.377 -0.194 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)c2ccc3c(c2)nnn3C)C1 1077234532 PDBVRBDFSGLXSR-TZMCWYRMSA-N 301.350 -0.071 30 20 DBED Cc1nn(CC(=O)N[C@@H]2C[C@@H](NCC#N)C23CCC3)c(=O)n1C 1078796762 DANRFFBZJNPYNL-VXGBXAGGSA-N 318.381 -0.569 30 20 DBED C#CCCCCC(=O)N1CC(N(CC)C(=O)Cn2cnnn2)C1 1079288681 SIUMHOXFRRAGHZ-UHFFFAOYSA-N 318.381 -0.074 30 20 DBED C=CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 1079981378 PNYRMRPYFHRFGK-RTXFEEFZSA-N 323.393 -0.242 30 20 DBED CCN(C(=O)Cn1cncn1)C1CN(C(=O)C#CC(C)C)C1 1080584265 QJRLPDOCFPTPDJ-UHFFFAOYSA-N 303.366 -0.003 30 20 DBED N#Cc1ccc(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C(F)F)C2)[nH]1 1081149857 NURCEAYPHYYYKD-OIBJUYFYSA-N 312.276 -0.299 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2cnccn2)C1 1081204416 JDDNVCRZDLWIPT-TZMCWYRMSA-N 316.361 -0.315 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)c2cncnc2)C[C@@H]1O 1081463444 NWKIMCILHNZWCU-KGLIPLIRSA-N 316.361 -0.315 30 20 DBED Cc1nc[nH]c1C(=O)N1C[C@@H](O)[C@@H](CNC(=O)C#CC2CC2)C1 1081474161 NZYPLTRVFURXIE-QWHCGFSZSA-N 316.361 -0.319 30 20 DBED N#CCSCC(=O)N1C[C@H](O)[C@H](CNC(=O)CCCF)C1 1081659842 CVBHQIFNUXOSDX-MNOVXSKESA-N 317.386 -0.072 30 20 DBED C=CCOCC(=O)N1C[C@H](CNC(=O)CCCF)[C@@H](O)C1 1081659895 DFVKWOZKDVMTKR-RYUDHWBXSA-N 302.346 -0.126 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2ncccn2)C1 1081686930 BXKHVFBUQWPJDX-NWDGAFQWSA-N 320.349 -0.772 30 20 DBED C=C(C)CCC(=O)N1C[C@H](CNC(=O)Cn2cncn2)[C@@H](O)C1 1081789293 WMTIJBGWFQQQJV-STQMWFEESA-N 321.381 -0.430 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CCn1ccccc1=O 1083098957 NWOLOPPAHROBOT-LSDHHAIUSA-N 315.373 -0.217 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CN(CCn3cccn3)C[C@@H]2O)[nH]1 1083413347 KDNAATHHGLIEJX-KGLIPLIRSA-N 314.349 -0.442 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](NC(=O)[C@H]2COCCN2CC)C1 1083588068 VQXCIOBRBFNXOL-KFWWJZLASA-N 311.426 -0.165 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(Cc2cnn(C)n2)C[C@@H]1O 1083790182 SPPYFTRNWZJLGH-MQYQWHSLSA-N 321.381 -0.933 30 20 DBED CN(C)[C@@H](Cn1cccn1)C(=O)N1C[C@H]2CCN(CC#N)C[C@H]21 1084405455 NWUXADUFCKDOMN-KFWWJZLASA-N 316.409 -0.130 30 20 DBED CC#CCN1CC[C@H]1CN(C)C(=O)C1CC2(C1)NC(=O)NC2=O 1085867998 CFXBXRHODFEZDS-BGMSHATGSA-N 318.377 -0.469 30 20 DBED C#Cc1ccc(C(=O)N(C)C[C@H]2CCN2CC(=O)NC)nc1 1085930184 QFHCPVXQVKSFGT-CYBMUJFWSA-N 300.362 -0.045 30 20 DBED C#CCN1CCC(C(=O)NC[C@H]2CC[C@@H](NCC(N)=O)C2)CC1 1086882164 CWRFPGGBTLHKFI-DZGCQCFKSA-N 320.437 -0.309 30 20 DBED CO[C@@H](C)CC(=O)N[C@@H]1CN(c2nc(C)cc(C#N)n2)C[C@H]1O 1090395706 QXKHLNRZGGNENR-CYZMBNFOSA-N 319.365 -0.253 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(c2cc(F)ncn2)C[C@H]1O 1090446047 WWHBKFVZQAHHQS-GHMZBOCLSA-N 310.329 -0.126 30 20 DBED COc1cc(O)ncc1C(=O)N[C@H]1CCN(CC#N)C[C@@H]1O 1090583297 NGSNBXPAWYVPSG-QWRGUYRKSA-N 306.322 -0.516 30 20 DBED C=CCN1CC[C@H](NC(=O)c2cccc(C(=O)NC)n2)[C@H](O)C1 1090767564 KSKBIEHHHHIJHL-SMDDNHRTSA-N 318.377 -0.208 30 20 DBED CO[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1NC(=O)CC(C)(C)O 1090883254 NKUQCWQFTQBYSH-VXGBXAGGSA-N 319.365 -0.171 30 20 DBED N#CCSCC(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@@H]1O 1091074498 AJLYTMNZYMVDBB-YPMHNXCESA-N 317.374 -0.124 30 20 DBED CC[C@H](C(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@@H]1O)N(C)C 1091124572 SVIXVXVFMOIBHJ-UPJWGTAASA-N 318.381 -0.646 30 20 DBED N#Cc1ccc(NC2CC(CNC(=O)CNC(N)=O)C2)nc1 1092186489 QJJSGJJHDSBHPK-UHFFFAOYSA-N 302.338 -0.072 30 20 DBED Cc1cc(C#N)nc(NCCNC(=O)COc2cnn(C)c2)n1 1094069504 VODDHOJENBOIBM-UHFFFAOYSA-N 315.337 -0.003 30 20 DBED C=C(C)CN1CC(n2cc(CNC(=O)c3ncn(C)n3)nn2)C1 1094288234 KBBSSBCAOKOFQB-UHFFFAOYSA-N 316.369 -0.231 30 20 DBED Cc1cccnc1C(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1 1094717387 JFLSHGOIJASEAO-LBPRGKRZSA-N 313.361 -0.072 30 20 DBED Cc1cc(=NCCCNC(=O)c2c[nH]c(=O)cn2)c(C#N)c[nH]1 1094739563 IGNZGSOGZQFBKZ-UHFFFAOYSA-N 312.333 -0.001 30 20 DBED COC(=O)NCC(=O)N1CC[C@@H](Nc2ccc(C#N)nn2)C1 1095019681 CHIPQQJHVOICPF-SNVBAGLBSA-N 304.310 -0.283 30 20 DBED CN(CCCNC(=O)[C@H]1COC(=O)N1)c1nccnc1C#N 1095546949 NCZOOWZRDMVUBK-SNVBAGLBSA-N 304.310 -0.601 30 20 DBED C[C@@H](CC(N)=O)C(=O)N[C@@H]1CCN(c2ccnc(C#N)n2)C1 1096457525 KGTHLEMUOTYSKO-VHSXEESVSA-N 302.338 -0.445 30 20 DBED CC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cn1nc(C)n(C)c1=O 1096460939 DWLHFCBBOONQBK-RDBSUJKOSA-N 317.393 -0.365 30 20 DBED C=CCOCC(=O)N1CC[C@H](N=c2cc[nH]c(C(=O)OC)n2)C1 1096926182 RPMVARULAIAZTO-NSHDSACASA-N 320.349 -0.100 30 20 DBED C=CCOCC(=O)N[C@H]1C[C@@H](Nc2nccn3nnnc23)C1 1097168889 SRSBXXRPWPUEJB-AOOOYVTPSA-N 303.326 -0.219 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCCS1(=O)=O)N=c1cc[nH]cc1C#N 1097882466 CYMYLJFSHXSCQS-GXFFZTMASA-N 322.390 -0.131 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H](C)Nc1ncnc2c1nnn2C 1098061701 SNCCTNSHRKMVGO-VHSXEESVSA-N 317.353 -0.287 30 20 DBED COCC(=O)N[C@H](C)C(=O)NC[C@H](C)Nc1cncc(C#N)n1 1098345595 BWSZVNBPQKDIBE-VHSXEESVSA-N 320.353 -0.584 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H]1COCCN1C(C)=O 1098441820 XFQWFUCTFCZUJI-APIJFGDWSA-N 305.378 -0.412 30 20 DBED C#CCN(CCO)C1CCN(C(=O)[C@H]2CC[C@@H]2C(N)=O)CC1 1098447300 GONVMORJTZOAOE-KBPBESRZSA-N 307.394 -0.584 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(Cc2cnns2)C[C@H]1O 1099737737 CXZFLMQFKZTKKX-VXGBXAGGSA-N 312.395 -0.208 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)CC(C)(C)O)[C@H](O)C1 1099810806 TZVRZGMELODDIJ-CHWSQXEVSA-N 300.399 -0.099 30 20 DBED C=C(C)CCC(=O)N[C@@H]1CCN(Cc2nc(O)n[nH]2)C[C@@H]1O 1099857931 FIRRNLAFSKENFQ-MNOVXSKESA-N 309.370 -0.082 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)CCC(F)F)[C@H](O)C1 1099922424 VUAYEPZGXXDFPB-WDEREUQCSA-N 317.336 -0.668 30 20 DBED CC(C)N(C)C(=O)C1(C(=O)N[C@H]2CCN(CC#N)C[C@@H]2O)CC1 1100054507 WCALYVMXMINAJF-STQMWFEESA-N 322.409 -0.292 30 20 DBED CCN1CCOC[C@H]1C(=O)NCCN(C)c1ccc(C#N)nn1 1100219530 BWZNROGQQBNMAA-ZDUSSCGKSA-N 318.381 -0.379 30 20 DBED Cc1cncn1CC(=O)NCC1CC(NCC(=O)NCC#N)C1 1100509785 YSWYQMHJZHUVOD-UHFFFAOYSA-N 318.381 -0.684 30 20 DBED N#Cc1ccc(N2CC[C@@H](CNC(=O)Cc3nc[nH]n3)C2)nn1 1101012064 QVOZHVSYEGJVMB-JTQLQIEISA-N 312.337 -0.348 30 20 DBED Cn1cnc(C(=O)NCCN(c2cncc(C#N)n2)C2CC2)n1 1101336158 QBBHKUBCTPFJNP-UHFFFAOYSA-N 312.337 -0.124 30 20 DBED CN(CCNc1ccc(C#N)nc1)C(=O)C[C@@H]1CC(=O)NC1=O 1101680413 LJRQVASTOHOSQC-JTQLQIEISA-N 315.333 -0.124 30 20 DBED N#Cc1nccnc1N1C[C@@H]2C[C@H]1CN2C(=O)CCCC(N)=O 1102554011 RAHVJGXZBBMUDU-QWRGUYRKSA-N 314.349 -0.207 30 20 DBED CC[C@H](CNC(=O)c1nccnc1N)N=c1cc[nH]c(C#N)n1 1103025768 OJGLIXIDPSNSNI-SECBINFHSA-N 312.337 -0.237 30 20 DBED CC[C@@H](CNC(=O)CC(=O)N(C)C)N=c1cc[nH]c(C#N)n1 1103347603 PGPDKZGYGCQNDK-JTQLQIEISA-N 304.354 -0.445 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)CCCCC(N)=O 1104073909 SVWMPXPPXQCAAA-NSHDSACASA-N 318.381 -0.020 30 20 DBED Cc1cc(C(=O)N2CC(n3cc(CNCC#N)nn3)C2)n(C)n1 1105176354 IQMJXEXBAGDYLH-UHFFFAOYSA-N 314.353 -0.370 30 20 DBED CC(=O)N1CC(C(=O)N(C)CCN(C)c2ccnc(C#N)n2)C1 1105381405 APJAOWMZPXZYJL-UHFFFAOYSA-N 316.365 -0.279 30 20 DBED C=CCOCC(=O)N1C[C@@H](C)[C@H](CNC[C@@H](O)COC)C1 1105941926 QPFYFBWGYAQZRT-MGPQQGTHSA-N 300.399 -0.120 30 20 DBED C[C@H](CC(N)=O)C(=O)NC[C@@H](O)CNc1ncc(C#N)cc1F 1106060185 PLSULHRFGLWIIK-SCZZXKLOSA-N 323.328 -0.507 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)CC2=CCOCC2)nn1 1106078387 BIIXFRMGKVZRME-ZDUSSCGKSA-N 317.349 -0.026 30 20 DBED C#CCNC[C@@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)CC)C[C@H]1C 1106158792 CNIAHYPWOIXONE-JHJVBQTASA-N 315.439 -0.369 30 20 DBED N#Cc1cnc(NC/C=C/CNC(=O)C2CS(=O)(=O)C2)cn1 1107358869 OOMPKVAQKXDOOS-OWOJBTEDSA-N 321.362 -0.523 30 20 DBED C[C@H](CNc1cnc(C#N)cn1)NC(=O)[C@H]1C[C@H]1C(=O)N(C)C 1108111601 OBZUMJMIKYVWKD-ADEWGFFLSA-N 316.365 -0.011 30 20 DBED C[C@@H](CNc1cncc(C#N)n1)NC(=O)c1cnn(C)c1N 1108323611 UIBCGJWHMSIOIA-QMMMGPOBSA-N 300.326 -0.106 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)CC(=O)N(C)C)CC2=O)C1 1108576550 VVSPBNDAYGZVBF-LLVKDONJSA-N 308.382 -0.948 30 20 DBED Cc1nc(NC[C@H](C)NC(=O)[C@@H]2CNC(=O)N2)ccc1C#N 1108669521 YEBOVGQSDBIOOW-KWQFWETISA-N 302.338 -0.140 30 20 DBED C[C@H](CN(C)c1cnc(C#N)cn1)NC(=O)c1cc(=O)n(C)o1 1108917738 NCWLSMHONKWUQB-SECBINFHSA-N 316.321 -0.105 30 20 DBED COC[C@@H](OC)C(=O)N[C@@H](C)CN(C)c1ccnc(C#N)n1 1109219191 GDHJMETYWCWRQU-WDEREUQCSA-N 307.354 -0.049 30 20 DBED CCNC(=O)CC(=O)NCC1(Nc2ccc(C#N)nn2)CC1 1110105632 LEOGVGLWGXWKQW-UHFFFAOYSA-N 302.338 -0.065 30 20 DBED CCOCCC(=O)N(C)[C@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1111174589 QXYXTYWFYZIJEC-RYUDHWBXSA-N 319.365 -0.217 30 20 DBED CO[C@@H](C)CC(=O)N(C)[C@H]1CN(c2nccnc2C#N)C[C@@H]1O 1111175437 FGWTXUXPQHDXPH-DRZSPHRISA-N 319.365 -0.219 30 20 DBED CNC(=O)CC(=O)N1C[C@H](C)[C@H](Nc2cnc(C#N)cn2)C1 1112308306 DHOPWPREGRHDIC-GXSJLCMTSA-N 302.338 -0.257 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CCN(c2cncc(C#N)n2)[C@H](C)C1 1112469152 HHPDOROYFKGRBX-GHMZBOCLSA-N 316.365 -0.042 30 20 DBED C=CCCO[C@H](C)C(=O)N1CCN(Cc2nnnn2C)CC1 1112676287 ICRZAYRXXODXKK-GFCCVEGCSA-N 308.386 -0.165 30 20 DBED Cc1nc(N(C)[C@@H](C)CNC(=O)CNC(N)=O)ccc1C#N 1113508113 DZYSNFDWMCKSEL-VIFPVBQESA-N 304.354 -0.129 30 20 DBED C=CCO[C@H](C)C(=O)N1CCN(CCS(C)(=O)=O)CC1 1113710188 IJIALBYSQNZDBA-GFCCVEGCSA-N 304.412 -0.234 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)Cn3cccn3)[C@@H]2C1 1113854840 PGUFYWDTNUYXTI-YNEHKIRRSA-N 315.377 -0.933 30 20 DBED CCNC(=O)CN1C[C@H]2C(NC(=O)c3c[nH]c(C#N)c3)[C@@H]2C1 1114148929 MQXUHAQFCAKAJM-VXGBXAGGSA-N 301.350 -0.318 30 20 DBED N#CCN1C[C@H]2[C@H](NC(=O)COCc3ccnc(O)c3)[C@H]2C1 1114465395 GAFZPHSAOKCTDB-JYAVWHMHSA-N 302.334 -0.126 30 20 DBED C=CCOCCN1C[C@H]2[C@H](NC(=O)[C@@H]3COCCN3CC)[C@H]2C1 1114496569 OWSJLAUUPGNHCJ-XUWVNRHRSA-N 323.437 -0.044 30 20 DBED C[C@H](CCCN=c1cc[nH]c(C#N)n1)NC(=O)CCNC(N)=O 1114946148 DBMJQIAYIIZCLA-SNVBAGLBSA-N 319.369 -0.475 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)CCN(C)CC)[C@@H]2C1 1115080776 DSFHMOWCHIMWSN-BFHYXJOUSA-N 320.437 -0.488 30 20 DBED N#Cc1cnc(N[C@@H](CO)CNC(=O)c2cnns2)cn1 1121092114 JDCRGIABQIQMRG-MRVPVSSYSA-N 305.323 -0.597 30 20 DBED Cn1nccc1CC(=O)NC[C@@H](CO)Nc1ccc(C#N)nn1 1121412618 QMQFEHGBZJYXST-NSHDSACASA-N 315.337 -0.787 30 20 DBED CC#CCNC1CC2(C1)CC(NC(=O)[C@@H]1CC(=O)NC(=O)N1)C2 1121835863 WSSTZXHACZFCSK-VDOARHDCSA-N 318.377 -0.375 30 20 DBED N#Cc1cnc(N[C@@H](CO)CNC(=O)[C@@H]2CCNC2=O)c(F)c1 1122355564 MIDREWXHACOKDJ-NXEZZACHSA-N 321.312 -0.883 30 20 DBED C[C@H]1C[C@@H](N=c2cc[nH]c(C#N)n2)CN1C(=O)CC(=O)N(C)C 1123333105 YKCZKJCKWJFERB-WDEREUQCSA-N 316.365 -0.350 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)c1ccco1 1124087155 ZSZOQHDTTPAFTL-JTQLQIEISA-N 301.306 -0.092 30 20 DBED CCO[C@@H](C)C(=O)N(C)C[C@@H](O)CN=c1cc[nH]c(C#N)n1 1124103850 HBFQWWJBEWSNGA-QWRGUYRKSA-N 307.354 -0.574 30 20 DBED CN(C[C@H](O)CNc1nccnc1C#N)C(=O)[C@@H]1CCCN1C 1124208873 YUSJXLFWSUHVJX-YPMHNXCESA-N 318.381 -0.326 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)c1ccncn1 1124466426 QJMFDPXUNTYTLC-JTQLQIEISA-N 313.321 -0.895 30 20 DBED C=CCCO[C@H](C)C(=O)NCCNCC(=O)NCCOCC 1124482480 DAJNPTZRUQMPNN-CYBMUJFWSA-N 315.414 -0.174 30 20 DBED CN(C[C@H](O)CNc1ccc(C#N)nc1)C(=O)Cn1nccn1 1124569245 XJSUNACWCCQVBW-CYBMUJFWSA-N 315.337 -0.524 30 20 DBED CN(C[C@@H](O)CNc1ccc(C#N)nn1)C(=O)c1n[nH]cc1F 1124714808 MGWYLPGORFDBBT-VIFPVBQESA-N 319.300 -0.245 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)c1n[nH]c(C)c1C 1125039380 HBCBCYXINLDXAL-UHFFFAOYSA-N 322.369 -0.642 30 20 DBED C=C[C@](C)(O)CC(=O)NCCNCCCS(=O)(=O)CC 1126378967 VEDNLMXKZQXAGA-ZDUSSCGKSA-N 306.428 -0.156 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)[C@H]1CC1(F)F 1126787378 FKTGTBYHWSATHT-DTWKUNHWSA-N 318.324 -0.252 30 20 DBED CC(C)(C)C#CC(=O)NCCNC[C@H](O)CN1CCCC1=O 1126912503 ONFZUQUFVYNWSV-ZDUSSCGKSA-N 309.410 -0.275 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cnn(C2CCC2)c1 1127235105 JUFPMAGQYVNMMA-UHFFFAOYSA-N 303.366 -0.323 30 20 DBED CN(CCOCCNc1ncccc1C#N)C(=O)CC(N)=O 1127247438 CGQPHCYYJPXBQF-UHFFFAOYSA-N 305.338 -0.284 30 20 DBED C=CCCN[C@H]1CCN(c2cccc(CNC(=O)C(N)=O)n2)C1 1127846773 ZRGWZTKIXPZAJY-ZDUSSCGKSA-N 317.393 -0.073 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1c[nH]c2nccc-2c1 1129986339 UTTADELPGNJIHP-UHFFFAOYSA-N 300.322 -0.526 30 20 DBED C=CCCCC(=O)N1C[C@H](n2ccnn2)[C@H](N[C@@H](C)C(N)=O)C1 1129986807 NCWQSRWEWSEIBJ-XQQFMLRXSA-N 320.397 -0.150 30 20 DBED C=C(C)CN(CC)C(=O)CNCCNC(=O)[C@H]1CCCC(=O)N1 1130035318 PPZSFPIHHRPCJM-CYBMUJFWSA-N 324.425 -0.215 30 20 DBED Cn1cnc2cccc(C(=O)NCCNCC(=O)NCC#N)c21 1130456549 PLTLHOUULJTMKZ-UHFFFAOYSA-N 314.349 -0.468 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@H]1CCCN1CC(C)C 1130708667 CVQHXAYEENJYPY-LSDHHAIUSA-N 322.453 -0.050 30 20 DBED COCC#CCN1C[C@H]2C[C@@H]3CN(C(=O)COC)C[C@@]3(C1)O2 1131164044 AJBTWHRZALEYCC-IIAWOOMASA-N 308.378 -0.416 30 20 DBED Cc1nn[nH]c1C(=O)N[C@@H]1CC[C@@H](C)N(CC(=O)NCC#N)C1 1132215073 RHDPAQHRGCINKN-MWLCHTKSSA-N 319.369 -0.664 30 20 DBED C[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)C[C@H]1CNCC#N 1133305594 BUHBUWUMKUEOCT-WDEREUQCSA-N 307.354 -0.864 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCCNC[C@@H]1CCS(=O)(=O)C1 1134053289 QWGZDLHBBHJQBH-XQQFMLRXSA-N 316.423 -0.282 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1cccn2ccnc12 1135257272 MXXSLFMEAGSSNY-GFCCVEGCSA-N 313.361 -0.208 30 20 DBED CCN(CC)CC(=O)NCCNCC(=O)N(CC)CCC#N 1135507928 BVXBEJMFOHBSNE-UHFFFAOYSA-N 311.430 -0.204 30 20 DBED C=CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)C1(C(=O)NC)CC1 1135675720 KSZVFAYTMCBAOI-NEPJUHHUSA-N 324.425 -0.312 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1cccn2c(O)nnc12 1147650386 LAAVRNDJLQOBLJ-UHFFFAOYSA-N 318.337 -0.944 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cn(C)nc1C(C)C 1150990597 LXWBGSMWKUQUGM-UHFFFAOYSA-N 305.382 -0.388 30 20 DBED CNC(=O)NC(=O)CNCCCNC(=O)c1cc(C#N)c[nH]1 1156282101 MOPHZAYPWLMROY-UHFFFAOYSA-N 306.326 -0.949 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1ccn2ccnc2c1 1162428179 ZVYDWOPSSSRVKY-UHFFFAOYSA-N 313.361 -0.207 30 20 DBED COCC#CCNCCCNC(=O)Cn1nnc2c1CCCC2 1166838873 RXHVCHSOBKOKCF-UHFFFAOYSA-N 319.409 -0.097 30 20 DBED COCC#CCNCCCNC(=O)Cn1ccc(C)cc1=O 1167454541 DBJBCMQCIZFHRQ-UHFFFAOYSA-N 305.378 -0.098 30 20 DBED Cc1noc(CCCC(=O)NCCCNCC(=O)NCC#N)n1 1175990620 PNIAKCSCXCJKML-UHFFFAOYSA-N 322.369 -0.564 30 20 DBED C=CCNC(=O)CNCCCC[C@H](C)NC(=O)[C@@H]1CCC(=O)N1 1176247269 RXQCNEQHOWFTFB-STQMWFEESA-N 324.425 -0.168 30 20 DBED C#CCCN1CCO[C@H]2CCN(C(=O)CNC(=O)OC)C[C@@H]21 1176938890 ZLGLTVCLCOSVIW-STQMWFEESA-N 309.366 -0.333 30 20 DBED CCNC(=O)CCC(=O)N1CC[C@H]2OCCN(CC#N)[C@@H]2C1 1176962589 KLAVTARHIRSXPO-CHWSQXEVSA-N 308.382 -0.272 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)[C@@H]1CCC(=O)N(C)C1 1177026471 SLRJDCKMWDFHOD-QWHCGFSZSA-N 322.409 -0.911 30 20 DBED CO[C@H]1CCCC[C@@H]1C(=O)NCCCNCC(=O)NCC#N 1177255603 OUYAVYUAGJAJPU-STQMWFEESA-N 310.398 -0.073 30 20 DBED C=CCN1CC[C@H](N[C@H]2CCN(C(=O)CNC(N)=O)[C@H]2C)C1=O 1178093095 DHIQINZXGUJQJB-SRVKXCTJSA-N 323.397 -0.979 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)CC(C)(C)O)[C@H]1C 1178591066 DBYQDXUQRGQVPF-AVGNSLFASA-N 309.410 -0.136 30 20 DBED CCCCNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)[C@@H](C)C#N)C1 1181699004 UGRQXWKWHRLKSX-NWDGAFQWSA-N 323.397 -0.038 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)Cc2cnn(C)c2C)C1 1183127007 YYGYEEMCSIRSIW-CQSZACIVSA-N 317.393 -0.789 30 20 DBED C=CCNC[C@@H]1CCN(C(=O)CNC(=O)CNC(C)=O)C[C@@H]1C 1184701134 ILGXFHPZBKSQBZ-JSGCOSHPSA-N 324.425 -0.501 30 20 DBED C#CCNC(=O)CNC[C@H]1CCN(C(=O)c2cnon2)C[C@@H]1C 1185335720 FDVQNAIPJNZOMI-NWDGAFQWSA-N 319.365 -0.493 30 20 DBED N#CCNC(=O)CN1C[C@@H]2CCN(C(=O)C[C@@H]3CCCO3)[C@@H]2C1 1186960383 ZTFWTDIJEMNGSY-MELADBBJSA-N 320.393 -0.272 30 20 DBED CN1CC[C@@H](CC(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)C1 1187106289 DOKUKVZABBONFZ-QWHCGFSZSA-N 307.398 -0.842 30 20 DBED C#CCCN[C@@H]1CCN(C(=O)CCNC(=O)[C@@H]2CCCO2)C1 1188421569 BDFWDYPNFFZXHY-KGLIPLIRSA-N 307.394 -0.115 30 20 DBED COCC#CCN(C)[C@H]1CCN(C(=O)c2ccc(C(N)=O)[nH]2)C1 1192377504 LZZJVFCLLLGFQK-LBPRGKRZSA-N 318.377 -0.090 30 20 DBED Cc1n[nH]c(C)c1C(=O)N1CC[C@@H](N(C)CC(=O)NCC#N)C1 1192889985 YBKQLGBOJSSUQS-GFCCVEGCSA-N 318.381 -0.187 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2ccncn2)C1 1192933133 GRZIZHYZWMNLKR-LBPRGKRZSA-N 301.350 -0.628 30 20 DBED CN(CC(=O)NCC#N)[C@@H]1CCN(C(=O)c2ccncn2)C1 1192970191 QQQWULAOLPTJSY-LLVKDONJSA-N 302.338 -0.737 30 20 DBED CN(CC(=O)NCC#N)[C@@H]1CCN(C(=O)[C@@]2(C)CCCOC2)C1 1193065172 AWDQWCNORGUXNH-CJNGLKHVSA-N 322.409 -0.024 30 20 DBED CCCCS(=O)(=O)NCC(=O)N1CCCN(CC#N)CC1 1197984296 GUOWRTJVWBFSHJ-UHFFFAOYSA-N 316.427 -0.236 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(Cc2ncccn2)C[C@H]1O 1199292819 SDOKRHMNQQHVTL-CHWSQXEVSA-N 306.366 -0.269 30 20 DBED C[C@H](C(=O)N1CCCO[C@@H](CNCC#N)C1)N1C(=O)CCC1=O 1200634830 MLHYZQXMCJFPDN-NEPJUHHUSA-N 322.365 -0.745 30 20 DBED C#CCNC[C@H]1CN(C(=O)c2cc3n(n2)CCO3)CCCO1 1200695588 ARYUOSWSBQAXCD-LBPRGKRZSA-N 304.350 -0.271 30 20 DBED C#CCNC[C@H]1CN(C(=O)CN2CCCCC2=O)CCCO1 1200874615 UZOHYIAWCVYVAR-AWEZNQCLSA-N 307.394 -0.161 30 20 DBED COCC#CCNCC1CCN(C(=O)C2CN(C(C)=O)C2)CC1 1205094906 SGJQJHVRUJXOFC-UHFFFAOYSA-N 321.421 -0.057 30 20 DBED CCNC(=O)NC(=O)CN1C[C@@H](NC(=O)[C@H](C)C#N)[C@H](C)C1 1206640604 IGKYPXXNQWWSHN-GMTAPVOTSA-N 309.370 -0.572 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)c1ccn(C)c1 1206870943 RTNKRQCFZQNOSC-DGCLKSJQSA-N 303.366 -0.285 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)c2ncn(C)n2)[C@H](C)C1 1206932791 RMQDNHZVYWCJPJ-IJLUTSLNSA-N 320.397 -0.444 30 20 DBED C#CCCN[C@@H]1CCCN(C(=O)CN2C(=O)NC(C)(C)C2=O)C1 1210926161 UOLQKWJOCSADTG-GFCCVEGCSA-N 320.393 -0.079 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(Cc2nncn2C)C[C@H]1OC 1212191700 OQHPDXXBFCXZPN-CHWSQXEVSA-N 305.382 -0.066 30 20 DBED CO[C@H](C(=O)N[C@@H]1CN(CC#N)C[C@H]1OC)c1cnn(C)c1 1213221460 DVSXCZAWIUWWJF-UPJWGTAASA-N 307.354 -0.553 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@@H](NCc2nc(O)n[nH]2)[C@H](C)C1 1214605099 VVCUPHXGOLLDKH-OUAUKWLOSA-N 307.354 -0.515 30 20 DBED C=CCOCCCC(=O)N[C@@H]1CN(C[C@@H](O)COC)C[C@@H]1O 1219426360 AJQGFVJDMDWZFL-MCIONIFRSA-N 316.398 -0.862 30 20 DBED C#CCCCCCC(=O)N[C@@H]1CN([C@@H](CC)C(N)=O)C[C@@H]1O 1220146690 MUGNIUVMKKPVGU-RDBSUJKOSA-N 309.410 -0.005 30 20 DBED C=CCCCC(=O)N[C@@H]1CN(C[C@@H](O)Cn2cccn2)C[C@@H]1O 1220239710 QHUONSQFCIRBEN-KFWWJZLASA-N 322.409 -0.238 30 20 DBED N#CCNC(=O)CN1CC[C@@H]2CN(C(=O)[C@@H]3CCCOC3)[C@@H]2C1 1221427296 YMUFJYBEYQOHPW-MGPQQGTHSA-N 320.393 -0.415 30 20 DBED C#CCO[C@H](C)C(=O)NC1CCN([C@H](C)c2nnnn2C)CC1 1227342481 OJBXTRZSDISZQS-VXGBXAGGSA-N 320.397 -0.110 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)c2cncnc2O)CC1 1227929471 GVWCLTDRBMHEET-UHFFFAOYSA-N 317.349 -0.874 30 20 DBED CCC(=O)N[C@@H](C)C(=O)N(C)C[C@@H]1CCN1CC(=O)NCC#N 1234489701 MOJDMJZFFMBENA-RYUDHWBXSA-N 323.397 -0.926 30 20 DBED C=CCCC[C@@H](C)NC(=O)C(=O)NCCNS(C)(=O)=O 1258480768 BBCYVFMLFGSNFN-SNVBAGLBSA-N 305.400 -0.487 30 20 DBED CC#CCNC[C@@H]1CCCCN1C(=O)CCNS(C)(=O)=O 1275003963 HHBFNGAPAZHXGI-ZDUSSCGKSA-N 315.439 -0.080 30 20 DBED NC(=O)CNC(=S)NN=Cc1cnc(C2OCCO2)s1 1321954447 UCOIULFDWZNSEN-UHFFFAOYSA-N 315.380 -0.528 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N1CCC[C@@H](OCCOC)C1 1323528841 ULCUPJNBPDJHFR-QWHCGFSZSA-N 314.382 -0.042 30 20 DBED C=CCN(C)C(=O)C(=O)NC[C@H]1CCC[C@@]12NC(=O)N(C)C2=O 1324219700 VXKHLGPKZPMBAF-MEBBXXQBSA-N 322.365 -0.533 30 20 DBED Cc1nnc(O)c(CNC(=O)C(=O)N2CCO[C@H](C#N)C2)c1C 1324475651 QDBPSDCEKQHAJY-SNVBAGLBSA-N 319.321 -0.834 30 20 DBED C#CCNC(=O)C1CCN(C(=O)[C@@H](CCC)NC(N)=O)CC1 1325254075 SKYBCJHYAPVKRO-GFCCVEGCSA-N 308.382 -0.189 30 20 DBED CC(C)(C)n1ncnc1CNC(=O)C(=O)N1CCO[C@@H](C#N)C1 1325857225 IDSPLBWEPPPAKG-JTQLQIEISA-N 320.353 -0.600 30 20 DBED CN(C)CCOCCNC(=O)C(=O)Nc1cnn(CC#N)c1 1326105052 RKLNHEDGHSYAHU-UHFFFAOYSA-N 308.342 -0.960 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N[C@@H](C)CS(=O)(=O)CC 1326650405 GNMOLZHDNNWAEU-UWVGGRQHSA-N 306.384 -0.757 30 20 DBED C=CCN1CC[C@H](n2cnc3nc(C)c(CCO)c(=O)n32)C1=O 1331119594 GUSFYVHIJLSWRS-LBPRGKRZSA-N 317.349 -0.306 30 20 DBED CN(C)C[C@@H]1CCN(C(=O)C(=O)N2CCN(CCC#N)CC2)C1 1332022780 DWWDTADMJLFXDO-AWEZNQCLSA-N 321.425 -0.546 30 20 DBED C[C@H](O)C[C@@H]1COCCN1C(=O)C(=O)N1CCC[C@H](C#N)C1 1334983593 MISXCQJZHWHJLH-YNEHKIRRSA-N 309.366 -0.253 30 20 DBED CC1(C)CN(C(=O)C(=O)N2CCC[C@H](C#N)C2)C[C@@H](CO)O1 1335045376 IQQIOCBDYXKBPR-NEPJUHHUSA-N 309.366 -0.253 30 20 DBED C=CCn1nnnc1N1CCC(N2CCC[C@@H]2C(N)=O)CC1 1340209635 YACNLTDQRDRMSI-GFCCVEGCSA-N 305.386 -0.222 30 20 DBED N#Cc1cn(CC(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)c(=O)nc1O 1362860569 RJIWXCILSRUFLC-VXGBXAGGSA-N 318.333 -0.106 30 20 DBED CC[C@@H](CNC(=O)Cc1nc[nH]n1)NC(=O)c1cc(C#N)c[nH]1 1390705955 ZFNPFLXZMPFOIP-JTQLQIEISA-N 315.337 -0.128 30 20 DBED C=C(Cl)CNC[C@@H](C)CNC(=O)c1cn(CC(N)=O)nn1 1391970319 ZTPWISAGHRVONM-MRVPVSSYSA-N 314.777 -0.529 30 20 DBED C[C@@H](C#N)C(=O)NC1CN(CC(=O)N(C)Cc2cnn(C)c2)C1 1404751570 VOYVFGGTPQXABI-NSHDSACASA-N 318.381 -0.661 30 20 DBED Cn1c(=O)[nH]c(NCc2nnc3n2CCCCC3)c(C#N)c1=O 1413870667 PYQGKDCCDBKPIP-UHFFFAOYSA-N 315.337 -0.125 30 20 DBED CCC(=O)NCC(=O)N1[C@H]2CC[C@H]1CN(C(=O)[C@H](C)C#N)C2 1414917863 LSICCQIVLLNWNW-WOPDTQHZSA-N 306.366 -0.126 30 20 DBED Cn1ccc(C(=O)NC[C@@H](O)CNC(=O)c2cc(C#N)c[nH]2)n1 1416754932 USWFHRUDLWCMGB-SNVBAGLBSA-N 316.321 -0.859 30 20 DBED CC(=O)N1CC[C@](C)(C(=O)N2CC(CNC(=O)[C@@H](C)C#N)C2)C1 1430429078 DPGWAIZWWVWDPT-ZBEGNZNMSA-N 320.393 -0.021 30 20 DBED CC(C)S(=O)(=O)CC(=O)NC[C@@H](C)N(C)C(=O)[C@@H](C)C#N 1449919538 CLUFTOVOEVRHAT-WDEREUQCSA-N 317.411 -0.068 30 20 DBED CC[C@H](C)[C@@H](OC)C(=O)NCCn1cc(C#N)c(O)nc1=O 1453847414 ZITBURRXHWYHNQ-GXSJLCMTSA-N 308.338 -0.002 30 20 DBED CC[C@H](NC(=O)Cn1cc(C#N)c(O)nc1=O)[C@@H]1CCCO1 1466614875 QIHYXJCOYRHHBS-QWRGUYRKSA-N 306.322 -0.106 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)C2(F)CCOCC2)C1 1480111325 QXNNUTXWDWWSLZ-LBPRGKRZSA-N 313.373 -0.002 30 20 DBED N#Cc1ccncc1N1CCN(C(=O)[C@H]2COCCN2)CC1 1574249640 YZUISTHNEJGVHT-CYBMUJFWSA-N 301.350 -0.410 30 20 DBED N#Cc1nc(NC(=O)[C@@H]2CCNC(=O)CC2)[nH]c1-c1nn[nH]n1 1581860291 TYIBDJPGNRETOM-LURJTMIESA-N 315.297 -0.684 30 20 DBED N#Cc1nc(N[C@@H]2CC[C@H](O)[C@H](O)CC2)cnc1-c1nn[nH]n1 1581880383 IFUIUWVTSZJJNR-LETLQTKMSA-N 316.325 -0.395 30 20 DBED C#C[C@@H](NC(=O)C(=O)NCC(C)(C)CC(=O)O)[C@@H]1CCCO1 1588370491 FIPBNBLBTYCRCY-MNOVXSKESA-N 310.350 -0.100 30 20 DBED C#CC[C@@H](NS(=O)(=O)c1cc(C(=O)O)cn1C)C(=O)OC 1588423593 MANQXELMESVZRN-SECBINFHSA-N 314.319 -0.434 30 20 DBED C=C(C)C[C@H](NC(=O)CN(C)[C@@H]1CCS(=O)(=O)C1)C(=O)O 1588542306 FUJFUILRXSQRKJ-MNOVXSKESA-N 318.395 -0.359 30 20 DBED C=CCNC(=O)CN1C[C@H]2CN(C(=O)[C@@H]3C[C@@H]3C(=O)O)C[C@H]2C1 1588844074 ARSVWDUJAOQDNT-XQHKEYJVSA-N 321.377 -0.601 30 20 DBED COc1cc(C#N)ccc1NC(=O)C(=O)NC[C@@H](O)CC(=O)O 1599348484 YQGKMPMAYCIVFL-VIFPVBQESA-N 321.289 -0.543 30 20 DBED C#CCC[C@H](O)CNS(=O)(=O)c1ccccc1-c1nn[nH]n1 1602703522 TXGOYLBPKZCUPP-JTQLQIEISA-N 321.362 -0.081 30 20 DBED N#CC1(C(=O)O)CCN(C(=O)C2=NN3CCCN=C3N2)CC1 1608174676 WPTOVEUZWFNUKU-UHFFFAOYSA-N 304.310 -0.818 30 20 DBED COCC#CCNC[C@H]1CCCN(C(=O)[C@@H]2CCC(=O)NC2)C1 1752801318 KFVPLALDSGRJLU-HUUCEWRRSA-N 321.421 -0.009 30 20 DBED C=CCNC(=O)NC(=O)CN[C@H](C)CNC(=O)[C@H](O)C(C)C 1752868963 ALUFYDYBFKIQLU-ZYHUDNBSSA-N 314.386 -0.891 30 20 DBED C#CCNC[C@@H]1CCN(C(=O)C(C)(C)NS(C)(=O)=O)C1 1752955356 GOMXKTGQDTVPJQ-NSHDSACASA-N 301.412 -0.615 30 20 DBED COc1cc(C(=O)NC[C@H]2CCCN2CC(=O)NCC#N)on1 1753101561 SSGWFOFHDKWPIA-SNVBAGLBSA-N 321.337 -0.483 30 20 DBED C=C(C)CN1CC[C@H](N(CC)C(=O)CNS(=O)(=O)NC)C1 1753462615 WPCRCOORUCPSPY-LBPRGKRZSA-N 318.443 -0.461 30 20 DBED C=C(C)CN1CCO[C@H](CNC(=O)CS(=O)(=O)CC)C1 1753657963 LGRIGKIUJCIKTQ-GFCCVEGCSA-N 304.412 -0.186 30 20 DBED Cc1ccc(C(=O)N(C)[C@@H](C)CNCC(=O)NCC#N)nn1 1753688532 DNYJCSBYPINSAH-NSHDSACASA-N 304.354 -0.525 30 20 DBED COCC#CCNC[C@@H](O)CNC(=O)[C@@H]1CN2CCC1CC2 1753911023 IUUGPSQSHHIIOD-HUUCEWRRSA-N 309.410 -0.955 30 20 DBED COCC#CCN1CC[C@H]1CNC(=O)c1coc(C(N)=O)c1 1754503616 XQEXVORHMLPGNM-LBPRGKRZSA-N 305.334 -0.168 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2nonc2C)[C@@H](C)C1 1754603296 ITUAQLGEFDBCOQ-CMPLNLGQSA-N 319.365 -0.290 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)N1C[C@@H]2CN(CCO)C[C@@H]2C1 1754847578 GEZWNWRBDSCXOV-BETUJISGSA-N 324.425 -0.367 30 20 DBED N#CCNC(=O)CNCCN(CCO)C(=O)c1cccc(F)c1 1754875557 CGLISBQWTUIMBZ-UHFFFAOYSA-N 322.340 -0.510 30 20 DBED COCCOCCN[C@@]1(CO)CCCN(C(=O)[C@H](C)C#N)C1 1755081760 LMENURGPSWUWIP-HIFRSBDPSA-N 313.398 -0.248 30 20 DBED C=CCNC(=O)CN[C@H]1C[C@H](C)N(C(=O)c2nnn(C)c2C)C1 1755672684 KYMCZFMUBPEZDQ-JQWIXIFHSA-N 320.397 -0.382 30 20 DBED C#CCCNC[C@H]1CC[C@@H](NC(=O)CS(=O)(=O)N(C)C)C1 1755746181 GPKMTGVGIPZMRJ-QWHCGFSZSA-N 315.439 -0.224 30 20 DBED COCC#CCN[C@H]1CN(C(=O)[C@H](C)NC(C)=O)CC1(C)C 1755751004 FTPJPCWXSTVEBY-JSGCOSHPSA-N 309.410 -0.013 30 20 DBED C=CCNC[C@H](O)CN(C)C(=O)c1cn(C2CCOCC2)nn1 1755791706 OPVXSJIJGLBQRX-ZDUSSCGKSA-N 323.397 -0.162 30 20 DBED CNC(=O)C1(C(=O)NC2CC(CNC(=O)[C@@H](C)C#N)C2)CC1 1755938928 KOWLVOUZFOTBCZ-WHXUTIOJSA-N 306.366 -0.317 30 20 DBED C#CCOCCC(=O)N[C@@H](C)CN(C)C(=O)c1cnc(O)n1C 1756481023 NTYHDZACAMDOFO-NSHDSACASA-N 322.365 -0.258 30 20 DBED C=CCn1cc(C(=O)NC[C@H](CO)NC(=O)[C@H](F)CC)nn1 1756522477 KLPOROMCNMPPFC-NXEZZACHSA-N 313.333 -0.581 30 20 DBED C=C(C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)CNC(=O)OC)C1 1756982050 XDQXKYLRVIZXNM-GHMZBOCLSA-N 313.354 -0.613 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2CCC(=O)N2)C1 1757317292 NAFLUZVMTILXEW-MEQWQQMJSA-N 323.393 -0.397 30 20 DBED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)CC1CC1)CCO2 1783561394 PCMLRCBSVGTEFM-MRXNPFEDSA-N 320.345 -0.296 30 20 DBED O=C(O)C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(F)F 1795561525 MXAYNSNBUYSWKS-AYMMMOKOSA-N 300.261 -0.022 30 20 DBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](CC)NC)C2)C1 1839807466 BRBSXSZXMVHKFF-CZUORRHYSA-N 323.393 -0.926 30 20 DBED C=C1CC(C(=O)N2CCCC23CN(C(=O)Cn2cnnn2)C3)C1 1841018566 XSPSYKFDLVCQJE-UHFFFAOYSA-N 316.365 -0.157 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCO[C@@H](CC)C2)C1=O 68396084 QMLWALHGBHBKPW-JTQLQIEISA-N 309.322 -0.399 30 20 DBED CCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)N(C)CCC#N 105934726 RGXZMBNFYVNMHK-LLVKDONJSA-N 323.440 -0.024 30 20 DBED C[C@H]1CN(c2nccnc2C#N)CCN1Cn1ncn(C)c1=O 133642308 BHQFWRPVVYQYFE-NSHDSACASA-N 314.353 -0.588 30 20 DBED C=CCNC(=O)CNC(=O)N1CCN(c2cnccn2)CC1 181225921 RVWNEHZIKDFXBB-UHFFFAOYSA-N 304.354 -0.390 30 20 DBED C#CCN/C(=N\C)NCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 261859597 ZDJNRKBZLSRMJP-WUHRBBMRSA-N 300.362 -0.408 30 20 DBED CO/N=C(/C(=O)NCCC(=O)N1CCOCC1)c1ccco1 266859007 UFTXAKCAJTWTBA-DTQAZKPQSA-N 309.322 -0.005 30 20 DBED C=CCNC(=O)CNS(=O)(=O)CC1(CC(=O)OC)CC1 272031019 JHSUKZYGOONZPU-UHFFFAOYSA-N 304.368 -0.449 30 20 DBED N#C[C@@H]1COCCN1C(=O)[C@@H](O)[C@@H](O)c1nc2ccccc2[nH]1 275750868 UNGPDQGIQSLPDB-WQAKAFBOSA-N 316.317 -0.292 30 20 DBED N#Cc1nccnc1N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 277943323 VHIQIFLUHFYXAJ-UHFFFAOYSA-N 319.350 -0.418 30 20 DBED COC(=O)[C@@H]1CN([C@@H](C)C(=O)N/C(O)=N/CC(C)C)CCO1 330511490 BZHVFZNEDBUSPA-QWRGUYRKSA-N 315.370 -0.065 30 20 DBED CN(C1(C(N)=O)CCCC1)S(=O)(=O)N1CCO[C@H](C#N)C1 336931031 BKSDKOIQOOVKLJ-SNVBAGLBSA-N 316.383 -0.815 30 20 DBED C=CC[C@@H](CO)CNS(=O)(=O)N(CCC#N)CCOC 336937991 HGPHJURXECGLBC-GFCCVEGCSA-N 305.400 -0.133 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCC2CCN(C)CC2)C1=O 338170161 LLBFOMZUPDMDBR-UHFFFAOYSA-N 322.365 -0.579 30 20 DBED C=CCn1c(O)nnc1S(=O)(=O)[C@H](C)C(=O)NCCC 341343332 GVOIVMJAPKWMHJ-MRVPVSSYSA-N 302.356 -0.142 30 20 DBED N#CCN(CC#N)C(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 346783085 ZRHBUZMBYGUDDJ-LSKIRQOJSA-N 302.290 -0.975 30 20 DBED C=CCN(C(=O)CCOC1CNC1)[C@H]1CCS(=O)(=O)C1 349029063 PMKIFMUTUZFYSM-NSHDSACASA-N 302.396 -0.433 30 20 DBED Cc1cc(NC(=O)NCCN2C(=O)CCC2=O)nn1CCC#N 352914409 KXJALMDHIHFGDI-UHFFFAOYSA-N 318.337 0.376 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCc2cccc(O)c2)C1=O 354288958 RUADENQTOURPLF-UHFFFAOYSA-N 317.301 -0.015 30 20 DBED CCN(C[C@@H](C)O)C(=O)C(=O)Nc1nn(C(C)C)cc1C#N 356701272 YWYMMTWRFHUDDK-SNVBAGLBSA-N 307.354 0.503 30 20 DBED C=CCN(C)C(=O)C(=O)NCCCN1CCC[C@@H](C(N)=O)C1 358092719 XIXFALCEKJWSSK-GFCCVEGCSA-N 310.398 -0.666 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H](OC)CC2)C1=O 378624658 NYQRVQHUQNLKHM-LLVKDONJSA-N 323.349 -0.009 30 20 DBED C=CCNC(=O)CNS(=O)(=O)c1cc(C(=O)O)oc1C 393816056 HHBRLTLVRNBRCF-UHFFFAOYSA-N 302.308 -0.133 30 20 DBED CC(C)[C@H](C(=O)N1CC(O)(CC#N)C1)N1CCCS1(=O)=O 408384923 JJQFZTHKFBDTKF-LLVKDONJSA-N 315.395 -0.467 30 20 DBED Cn1c(=O)c2cc(NC(=O)NCCC#N)cnc2n(C)c1=O 487918374 MKDACLFFJSVPAS-UHFFFAOYSA-N 302.294 -0.333 30 20 DBED C=CCn1c(-c2ccccn2)nnc1S(=O)(=O)C[C@@H](O)CO 507499142 BZIKOWYGNNPMQZ-JTQLQIEISA-N 324.362 -0.347 30 20 DBED CC[C@H](C)[C@H](NC(=O)Cn1cnc(C#N)cc1=O)C(=O)OC 514672048 IYBQLWIBFOYWMD-ZANVPECISA-N 306.322 -0.181 30 20 DBED C=CCNC(=O)CNC(=O)N[C@@H]1CCC[C@@H](S(C)(=O)=O)C1 537528736 RKNNHAVXHXFZKX-GHMZBOCLSA-N 317.411 -0.056 30 20 DBED N#CC1(CS(=O)(=O)N[C@@H](CC(N)=O)C(=O)O)CCCC1 548534053 OOKJQVWDPBCTPQ-QMMMGPOBSA-N 303.340 -0.682 30 20 DBED C=C[C@@H]1OCC[C@H]1NC(=O)NCCC(=O)N1CCN(C)CC1 575635092 NBUVUIHIXODHJL-OLZOCXBDSA-N 310.398 -0.207 30 20 DBED N#CCC1(CNC(=O)c2nc(N)nc(N3CCOCC3)n2)CC1 576590112 POHDPFLAIWLZDD-UHFFFAOYSA-N 317.353 -0.286 30 20 DBED CN(CCC(N)=O)C(=O)CNS(=O)(=O)c1cccc(C#N)c1 583056719 QZVARSRRIAYMEE-UHFFFAOYSA-N 324.362 -0.830 30 20 DBED C[C@@H](CN)CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 583565729 LEMRUSCZVMRMOT-JTQLQIEISA-N 310.379 -0.452 30 20 DBED CC[C@H](NC[C@H](O)CN(C)CCC#N)C(=O)N1CCOCC1 591750400 XKAOFMKNDHHSDS-KBPBESRZSA-N 312.414 -0.580 30 20 DBED CCOC(=O)[C@@H](N)C(=O)Nc1n[nH]c2cc(C#N)c(C)cc12 595960866 XMQLNFHOBQTTIG-NSHDSACASA-N 301.306 0.572 30 20 DBED CN(C(=O)NCC(=O)NCC#N)[C@@H](CO)Cc1ccccc1 596599267 QHALVRBVFHHGHN-CYBMUJFWSA-N 304.350 -0.129 30 20 DBED C[C@H]1CN(c2nccnc2C#N)CCN1c1nc(=N)[nH]c(=N)[nH]1 599056036 HUKIFHAODJFAPN-QMMMGPOBSA-N 312.341 -0.926 30 20 DBED C=CCNC(=O)CNC(=O)c1cn(CC2(CC)COC2)nn1 613292252 CHRHKZYMNQYYIO-UHFFFAOYSA-N 307.354 -0.263 30 20 DBED C=CCn1cc(C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)nn1 648714403 FBRRFFQAPCRKPB-CYBMUJFWSA-N 319.365 -0.073 30 20 DBED C=CCn1cc(C(=O)N2CCN(Cc3n[nH]c(C)n3)CC2)nn1 648787974 MSFNZKNIHJVTTL-UHFFFAOYSA-N 316.369 -0.151 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)c2ccc(C#C)nc2)CC1 733149107 YLOUTUUJZPTXGE-UHFFFAOYSA-N 324.384 -0.040 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)[C@@H]1CCCCN1S(C)(=O)=O 744775527 VTPKOJDLODIDHH-QWRGUYRKSA-N 316.379 -0.518 30 20 DBED Cn1cc(C=NNC2=N[C@@H]3CCCC[C@@H]3N2)c(=O)n(C)c1=O 753937682 FRXCJASDBPFOFI-PHIMTYICSA-N 304.354 -0.722 30 20 DBED Cn1cnc(CNC(=O)NCCNc2ccc(C#N)cn2)n1 768695764 LPIPATHUOYRDJX-UHFFFAOYSA-N 300.326 -0.007 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1C[C@@H](CO)C[C@@H](OCCOC)C1 772796502 VCFQIGUEGNKOMV-XHSDSOJGSA-N 324.421 -0.044 30 20 DBED C#CCn1cc(CNC(=O)[C@H]2CC(=O)N(CCOC)C2)cn1 788220897 LQIHTAPGYDISDX-ZDUSSCGKSA-N 304.350 -0.373 30 20 DBED N#Cc1ncn(CCNC(=S)NCCCN2CCOCC2)n1 795139230 RQWVHCFGERHVDQ-UHFFFAOYSA-N 323.426 -0.664 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)C(F)(F)CC=C)CC1 831574391 FHBXFPNZLZIOBD-UHFFFAOYSA-N 321.349 -0.190 30 20 DBED C#CCN(C)CCCNC(=O)NCCCN(C)S(C)(=O)=O 836244112 MYWYMTQYARJGTH-UHFFFAOYSA-N 318.443 -0.478 30 20 DBED N#C[C@H]1CNC[C@H]1NC(=O)CNC(=O)NCc1ccc(F)cc1 843459309 DLKBXUICNOEWTG-WCQYABFASA-N 319.340 -0.147 30 20 DBED C#CCN(C)CCCNC(=O)N[C@H]1CS(=O)(=O)C[C@@H]1OC 852359780 NIFSBHUZSKABCI-RYUDHWBXSA-N 317.411 -0.947 30 20 DBED C#CCCN(CCOC)C(=O)NCCS(=O)(=O)NC(C)C 853564185 LOODVSHAUDHKJO-UHFFFAOYSA-N 319.427 -0.005 30 20 DBED C#CCCN1CCN(C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)CC1 857782252 FWKYOKYGIAJYPS-UONOGXRCSA-N 307.394 -0.210 30 20 DBED C#CC1(O)CN(C(=O)c2ccc(-n3nnnc3C)cc2F)C1 890526104 PFIMBQHZCWCQAQ-UHFFFAOYSA-N 301.281 -0.070 30 20 DBED C#C[C@@H](NC(=O)Cn1cccc(C(=O)OC)c1=O)[C@@H]1CCCO1 935460789 XVMZLLZAYVSPAG-OLZOCXBDSA-N 318.329 -0.068 30 20 DBED Cn1nnc(C(=O)N2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)n1 937796455 WORGRRIELPTUER-VIFPVBQESA-N 314.309 -0.946 30 20 DBED C=CCN1CC[C@@H](NC(=O)CN2CCN(C)C(=O)C2)[C@H](C)C1 942199748 GVNZTNYTXKGIGO-ZIAGYGMSSA-N 308.426 -0.227 30 20 DBED CN1CC[C@H](C(=O)NC[C@@H]2CN(C(=O)C#CC3CC3)CCO2)C1 944596827 NJGDLFIFIQIUSE-LSDHHAIUSA-N 319.405 -0.305 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2[C@H]3C[C@H]2N(C(=O)c2cnon2)C3)[nH]1 946947727 QCAGPAJNEIBXRU-BPTDKIDVSA-N 312.289 -0.088 30 20 DBED C#Cc1ccc(C(=O)N2C[C@H]3C[C@H]2[C@@H]3NC(=O)c2cnn[nH]2)cn1 947490353 RUPFMCQCDDHACA-DDTOSNHZSA-N 322.328 -0.176 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1nc[nH]n1 950755666 QZOYFFRWBRJYPA-RYUDHWBXSA-N 316.365 -0.767 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H](NC(=O)Cn2cnnc2O)C1 951868079 PGCGLVJSCKNHFY-ZJUUUORDSA-N 306.326 -0.749 30 20 DBED C#Cc1cncc(C(=O)NC2(C)CCN(C(=O)C(N)=O)CC2)c1 956489379 MIAWKULQGMOYJE-UHFFFAOYSA-N 314.345 -0.341 30 20 DBED CCN(C(=O)c1cn(C[C@H]2CCOC2)nn1)C1CN(CC#N)C1 957055529 ACQAASOMDVVUMG-GFCCVEGCSA-N 318.381 -0.016 30 20 DBED N#CCN1CCN(C(=O)c2cn(C3CCOCC3)nn2)CC1 957102766 IZQNOPFPMQECMI-UHFFFAOYSA-N 304.354 -0.089 30 20 DBED CC#CCN1C[C@@H](O)[C@H](CNC(=O)c2cnn3ncccc23)C1 958138295 FDUVCQZMMSGLMN-IUODEOHRSA-N 313.361 -0.225 30 20 DBED N#CCN1C[C@@H](O)[C@H](CNC(=O)c2cnn3ccncc23)C1 958145389 KBTIJTMPTGWVML-ZWNOBZJWSA-N 300.322 -0.725 30 20 DBED CC#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cnc3n2CCC3)C1 958149941 XQOPQIIRMKPYSQ-GXTWGEPZSA-N 302.378 -0.125 30 20 DBED Cc1cc(=O)c(C(=O)NC[C@@H]2CN(CC#N)C[C@H]2O)cn1C 958151566 KAROXSOOCAIVGV-BXUZGUMPSA-N 304.350 -0.760 30 20 DBED Cc1nc(O)c(C(=O)NC[C@H]2CN(CC#N)C[C@H]2O)nc1C 958179129 IDPFYOZVXSNIAN-WDEREUQCSA-N 305.338 -0.655 30 20 DBED C=CCCN1C[C@@H](O)[C@H](CNC(=O)c2ccc(C(N)=O)o2)C1 958240194 YLXVRDUZQYXKPY-GHMZBOCLSA-N 307.350 -0.023 30 20 DBED C#CCCN1C[C@H](O)[C@H](CNC(=O)c2ccc3nncn3c2)C1 958481129 NLHHVGUBGIBTTE-KGLIPLIRSA-N 313.361 -0.225 30 20 DBED N#CCN1C[C@@H](O)[C@H](CNC(=O)c2cc(C(F)(F)F)n[nH]2)C1 958486134 WRVIIOPDLWDFSS-VXNVDRBHSA-N 317.271 -0.025 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)CC 959837906 YZOLWYOOJMMNID-SOUVJXGZSA-N 319.405 -0.068 30 20 DBED C#CCN1C[C@H]2[C@H](NC(=O)Cc3nnn(C(C)(C)C)n3)[C@H]2C1 960076155 YFJOBXBWJGHACY-YABSGUDNSA-N 302.382 -0.350 30 20 DBED C=CCCN1C[C@@H]2C(NC(=O)c3cn(C)c(=O)nc3O)[C@H]2C1 962531447 DEGWZJYKHFKXJM-UWVGGRQHSA-N 304.350 -0.278 30 20 DBED C#CCNC1CCC(N(C)C(=O)Cn2ncn(C)c2=O)CC1 963599451 UMQAZTNURNJKCV-UHFFFAOYSA-N 305.382 -0.426 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC2(CN(C(=O)CC)CCO2)C1 965251993 NGWYJQBSKZNFCS-AWEZNQCLSA-N 319.405 -0.066 30 20 DBED C[C@H](C#N)C(=O)N1CCOC2(CN(C(=O)c3ncc[nH]3)C2)C1 965467875 CSFACLCBRSXCFZ-SNVBAGLBSA-N 303.322 -0.377 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC2(C1)CN(C(=O)[C@H]1COCCO1)C2 965473795 PCNDVAQFCFSHLQ-NWDGAFQWSA-N 323.349 -0.999 30 20 DBED C[C@H](C#N)C(=O)N1CCOC2(CN(C(=O)c3csnn3)C2)C1 965479027 XSLIRWNKGOOMCM-SECBINFHSA-N 321.362 -0.249 30 20 DBED C=C1CC(C)(C(=O)N[C@H]2CN(C(=O)Cn3ncnn3)C[C@H]2C)C1 966460511 CNJVZEGZDUHPRV-NEPJUHHUSA-N 318.381 -0.008 30 20 DBED CCN(C(=O)c1c[nH]c(C#N)c1)C1CN(C(=O)c2nc[nH]n2)C1 967896116 BTYPQOGDSJPENW-UHFFFAOYSA-N 313.321 -0.009 30 20 DBED N#Cc1ccccc1CN[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 969766483 ODWASTJQNSAGPE-KGLIPLIRSA-N 313.361 -0.070 30 20 DBED C[C@H](NC(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1)C1CN(CC#N)C1 970420695 RHSANFJSYWUSBI-UHTWSYAYSA-N 308.382 -0.418 30 20 DBED CN(Cc1nnnn1C)[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 971293265 ZONUMYGLEVRCOQ-LLVKDONJSA-N 314.353 -0.244 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@@]3(CN(CC(N)=O)CCO3)C2)[nH]1 972348529 OLTNMSGANABLSS-OAHLLOKOSA-N 317.349 -0.711 30 20 DBED C=C(C)CN1CCO[C@]2(CCN(C(=O)[C@H]3CNC(=O)N3)C2)C1 972527063 PYQRILGNKMHBGY-IUODEOHRSA-N 308.382 -0.453 30 20 DBED C#Cc1cncc(C(=O)N[C@H]2C[C@H](NC(=O)c3cnnn3C)C2)c1 973223624 CEWYCYBVPASCIF-JOCQHMNTSA-N 324.344 -0.118 30 20 DBED C#Cc1cncc(C(=O)N[C@H]2C[C@@H](NC(=O)c3cnn[nH]3)C2)c1 974298987 SHLVVWOFJAVUCE-TXEJJXNPSA-N 310.317 -0.128 30 20 DBED C=CCN1CC[C@@H](N2CCCN(C(=O)c3cnn[nH]3)CC2)C1=O 981533110 VANGCZDMGANCCQ-CYBMUJFWSA-N 318.381 -0.261 30 20 DBED N#Cc1ccc(C(=O)N2CC(NC(=O)c3cc[n+]([O-])cc3)C2)[nH]1 990141736 WNUKEAKDHSNXRT-UHFFFAOYSA-N 311.301 -0.226 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC(NC(=O)C[C@@H]2CCOC2)C1 990573582 AYCHQMLSNDKGQW-ZFWWWQNUSA-N 319.405 -0.162 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@H](NC(=O)c2cn(C)nn2)[C@@H](O)C1 991446924 SKDWKOAODGHFAZ-JQWIXIFHSA-N 321.381 -0.281 30 20 DBED Cn1nnc2cc(C(=O)NC3CN(C(=O)C#CC4CC4)C3)cnc21 996186241 WINAROFQJKEHCQ-UHFFFAOYSA-N 324.344 -0.283 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(NC(=O)[C@H]2CCNC2=O)C1 997433615 YYTWGNNSXCCUAB-AVGNSLFASA-N 321.377 -0.569 30 20 DBED CN(C(=O)c1c[nH]c(C#N)c1)C1CC(N[C@H]2CCNC2=O)C1 998660794 PUQIVIJTDQSLOM-GDKBPFBDSA-N 301.350 -0.033 30 20 DBED C[C@H](C#N)C(=O)N1CCNC(=O)CCN(C(=O)C2CC2)CC1 1001709281 WQHIQYHQRNPRCZ-LLVKDONJSA-N 306.366 -0.267 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H]1CN(C)C(=O)c1nnn(C)n1 1002930944 LAGGTNHSMQPKRK-ZJUUUORDSA-N 305.342 -0.567 30 20 DBED C[C@@H](C#N)C(=O)N1CC(CNC(=O)c2cn(C)ccc2=O)C1 1003416640 PUFZLLRQHYPJAY-JTQLQIEISA-N 302.334 -0.267 30 20 DBED C#Cc1cncc(C(=O)NCC2CN(C(=O)c3cnnn3C)C2)c1 1004198350 CIYOJONALXVLHB-UHFFFAOYSA-N 324.344 -0.307 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@H]1CN2C(=O)CN1CCCC1=O 1007093990 VRCMHXWSPJBVKZ-XQQFMLRXSA-N 318.377 -0.030 30 20 DBED C=CCn1cccc1C(=O)N1CC[C@@H](NC(=O)C(N)=O)[C@@H]1C 1011832554 JOXIFYZUVFGMNN-WDEREUQCSA-N 304.350 -0.121 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@]12CCC[C@H]1N(C(=O)C(N)=O)CC2 1014483572 CWWPGXWCAFBBTA-JBBSTSQOSA-N 321.377 -0.297 30 20 DBED Cn1[nH]c(CN[C@H]2C[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)nc1=O 1021946982 YZWHZPOHPGTJCL-AOOOYVTPSA-N 315.337 -0.641 30 20 DBED C=CCN1CC[C@@H](N[C@H]2C[C@@H](NC(=O)[C@@H]3CCN(C)C3)C2)C1=O 1023086246 GBVFEGKPUNYNPV-APIJFGDWSA-N 320.437 -0.038 30 20 DBED C#CCN1CCC(C(=O)NC[C@@H]2CCCN(CC(N)=O)C2)CC1 1023761739 ICCKVMBIRXFNSU-AWEZNQCLSA-N 320.437 -0.355 30 20 DBED CN1C[C@@H](C(=O)NC2CN(CC#Cc3ccccc3)C2)NC1=O 1030793399 PATLZTTZJCANCU-HNNXBMFYSA-N 312.373 -0.138 30 20 DBED C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1coc(S(N)(=O)=O)c1 1032483567 TUUSTFBCSXGSIG-RYUDHWBXSA-N 323.374 -0.151 30 20 DBED C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)CN1C(=O)CN(C)C1=O 1032771751 ZVSVTQAWQOLQDV-RYUDHWBXSA-N 306.366 -0.258 30 20 DBED COc1c(O)nc(O)nc1C(=O)N1CC[C@@H](NCC#N)[C@H](C)C1 1036255903 FBXGVVPCALUWHP-RKDXNWHRSA-N 321.337 -0.140 30 20 DBED C=C(C)CN1C[C@H]2C[C@H]1[C@H]2NC(=O)Cn1nc(C)n(C)c1=O 1037697936 PYTJESYQGLYARX-DYEKYZERSA-N 305.382 -0.345 30 20 DBED Cn1nnnc1CN1CC[C@H]1CNC(=O)c1ccc(C#N)[nH]1 1038169863 QCUKGSRBIQSKOF-JTQLQIEISA-N 300.326 -0.586 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)c3cccnn3)C2)nc1 1041139645 UTBWNBWNWAMJDD-CHWSQXEVSA-N 310.317 -0.277 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)[C@H]2CC[C@H]2C(N)=O)C1 1041973041 PDAFPWIZHPJSNJ-MNOVXSKESA-N 309.366 -0.846 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)C(=O)C(C)(C)C)C1 1042040677 XLHCDRQDKBXJER-UHFFFAOYSA-N 312.366 -0.506 30 20 DBED N#CCN1CC[C@@H]2CCN(C(=O)Cn3ccc(O)nc3=O)C[C@@H]21 1042142190 KCNCFPJFQGQNJH-NEPJUHHUSA-N 317.349 -0.605 30 20 DBED C#CCN1CC[C@@H]2CCN(C(=O)CCn3ncn(C)c3=O)C[C@@H]21 1042162994 NDJGQQIWSQICJP-KGLIPLIRSA-N 317.393 -0.472 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC(O)(CNC(=O)[C@H]3CC3(F)F)C2)c1 1042909577 DNEWQGUCUHFWSZ-SECBINFHSA-N 324.287 -0.155 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)[C@H]2CC2(F)F)C1 1042919604 LZSIJTBDAWKNRC-SNVBAGLBSA-N 316.304 -0.629 30 20 DBED C=C(C)CCC(=O)NCC1(O)CN(C(=O)[C@H]2CCC(=O)NC2)C1 1043319535 GFMKGZJEWDWKFM-LBPRGKRZSA-N 323.393 -0.442 30 20 DBED C=CCCOCC(=O)NCC1(O)CN(C(=O)Cc2cc[nH]n2)C1 1043567147 ZRZKRLLKKFMBPY-UHFFFAOYSA-N 322.365 -0.766 30 20 DBED Cc1nccc(N2C[C@H](O)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)n1 1043876423 AMSAUYYQSQNCCF-OLZOCXBDSA-N 312.333 -0.036 30 20 DBED C#Cc1ccc(C(=O)NCC2(O)CN(C(=O)C#CC3CC3)C2)cn1 1044255211 SPMMBTQCSOJNMH-UHFFFAOYSA-N 323.352 -0.221 30 20 DBED C=C(C)C(C)(C)C(=O)N1CC(O)(CNC(=O)[C@H]2CCNC2=O)C1 1044455678 IQYFWEPMMVLHJN-NSHDSACASA-N 323.393 -0.586 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)CN(C)C(C)=O)C1 1044479036 RNCPHDOGJMQTGO-UHFFFAOYSA-N 311.382 -0.634 30 20 DBED C[C@@H]1C[C@@H](NCC#N)CCN1C(=O)CN1CCN(C)C(=O)C1 1044658416 NESVTNZIPIEHFK-OLZOCXBDSA-N 307.398 -0.747 30 20 DBED N#CCN1CC[C@@H](N2CCN(C(=O)CCn3cncn3)CC2)C1 1046003088 VKKQENZNVQSHJO-CQSZACIVSA-N 317.397 -0.590 30 20 DBED Cc1ncccc1CC(=O)NCC1(O)CN(C(=O)[C@@H](C)C#N)C1 1046652226 AWZSILVQKHDKPL-NSHDSACASA-N 316.361 -0.218 30 20 DBED C=CCCn1cc(C(=O)N[C@@]2(C)CCN([C@H](C)C(N)=O)C2)nn1 1046689731 NQCYUADMNOREFG-ABAIWWIYSA-N 320.397 -0.078 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)CN2C(=O)NC(=O)C2(C)C)C1 1047587191 ZYIINYMGEKBCSA-QWRGUYRKSA-N 324.381 -0.994 30 20 DBED C=CCCC(=O)N(C)[C@H]1CN(C(=O)c2cncnc2O)C[C@@H]1O 1048531255 YTQAQXSCRATXDD-RYUDHWBXSA-N 320.349 -0.208 30 20 DBED Cn1cnc(C(=O)N2CCC[C@H]3CN(CC#N)C[C@H]32)cc1=O 1050068705 GPBYTDLFIXHSFB-WCQYABFASA-N 301.350 -0.160 30 20 DBED C[C@H](C(=O)N1CC2(CCN(CC#N)CC2)C1)N1C(=O)CCC1=O 1050537938 BPPIWXUNHLMXHE-GFCCVEGCSA-N 318.377 -0.028 30 20 DBED Cc1cc(=O)c(C(=O)NC[C@H]2COCCN2CC#N)cn1C 1050965817 ORUFWYFIORTHNC-LBPRGKRZSA-N 304.350 -0.352 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(C(=O)CC(=O)NC)C[C@@H]1C 1052450789 LBQQGROQDZASCE-QWHCGFSZSA-N 323.393 -0.627 30 20 DBED CNC(=O)CC(=O)NC[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C 1052550228 ZJVQFYMWYLDIKW-DGCLKSJQSA-N 305.378 -0.253 30 20 DBED Cn1cc(CCC(=O)N2CCOC3(CN(CC#N)C3)C2)nn1 1053552575 XDLZBQRIFKVQTL-UHFFFAOYSA-N 304.354 -0.816 30 20 DBED CC(C)C#CC(=O)N1C[C@H]2CN(C(=O)C3(C(N)=O)CC3)C[C@H]2C1 1055328353 KKEGOGWJEJHUEM-BETUJISGSA-N 317.389 -0.172 30 20 DBED N#Cc1cncc(N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)Cn2cncn2)n1 1055333465 ITDAOKBVJMVZPQ-UPJWGTAASA-N 324.348 -0.134 30 20 DBED C=CCCC(=O)N[C@]1(CO)CCCN(C(=O)C2(C(N)=O)CC2)C1 1055824593 XLLYPCHDNJGHNV-OAHLLOKOSA-N 323.393 -0.312 30 20 DBED C=CCOCC(=O)N1CCC[C@](CO)(NC(=O)c2cocn2)C1 1055833211 GLCIUOAZTDNXPS-HNNXBMFYSA-N 323.349 -0.040 30 20 DBED CCNC(=O)CC(=O)N1CCC[C@@](CO)(NC(=O)[C@H](C)C#N)C1 1056094981 ZMMQQJHQBCUWQO-IAQYHMDHSA-N 324.381 -0.858 30 20 DBED N#Cc1ccc(N2C[C@@H]3C(NC(=O)[C@@H]4CCC(=O)N4)[C@H]3C2)nc1 1056263698 QWWWRESGWVRQJV-SRVKXCTJSA-N 311.345 -0.217 30 20 DBED N#Cc1cnc(N2C[C@H]3[C@H](NC(=O)Cc4nc[nH]n4)[C@H]3C2)cn1 1056296267 GUEUCIMRABJRLI-MSRIBSCDSA-N 310.321 -0.740 30 20 DBED N#Cc1nccc(N2C[C@H]3[C@H](NC(=O)c4cncnc4O)[C@H]3C2)n1 1056329926 FZCGLXWEHLBUOA-IWIIMEHWSA-N 323.316 -0.292 30 20 DBED Cc1cc(=N[C@@H]2CCN(C(=O)[C@@H]3CCNC3=O)C2)c(C#N)c[nH]1 1056745368 WWVWCVPCEWQAKL-CHWSQXEVSA-N 313.361 -0.168 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCN(CCO)C(=O)CSC 1056899790 KEBGOAQUVVAHJY-CYBMUJFWSA-N 304.412 -0.386 30 20 DBED N#Cc1nccc(N2CCCN(C(=O)Cn3ncnn3)CC2)n1 1057182645 TUHLPGANQNPFKD-UHFFFAOYSA-N 313.325 -0.926 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)c1cnnn1CC 1057504686 KOMCGYPJRAPGIK-UHFFFAOYSA-N 309.370 -0.185 30 20 DBED CCN(C)CCC(=O)NCCN(CCO)C(=O)C#CC1CC1 1057533483 PJVLBRHAZXIQKO-UHFFFAOYSA-N 309.410 -0.321 30 20 DBED C[C@@H](N=c1cc[nH]c(C#N)n1)[C@H]1CCCCN1C(=O)C(N)=O 1058023718 LBEULNNCQNEDFJ-NXEZZACHSA-N 302.338 -0.563 30 20 DBED Cc1nc[nH]c1C(=O)N(CCO)CCNC(=O)C#CC(C)C 1058063652 TWTIBCQNLURRJV-UHFFFAOYSA-N 306.366 -0.072 30 20 DBED CN1C[C@H](C(=O)N[C@H]2CCN(c3ccncc3C#N)C2)NC1=O 1058504069 FTQXDOWVROUHNC-NWDGAFQWSA-N 314.349 -0.328 30 20 DBED C#CCNC(=O)CC(=O)NCCN(CCO)C(=O)C1(CC)CC1 1058736046 GUODNTPQVKSPRM-UHFFFAOYSA-N 323.393 -0.747 30 20 DBED Cc1cc(C#N)nc(N[C@H]2C[C@@H](NC(=O)[C@@H]3CNC(=O)N3)C2)n1 1059802592 GTLHJEYRWUBVSM-NGZCFLSTSA-N 315.337 -0.603 30 20 DBED C=CCCC(=O)N1CCOC[C@@H]1CNC(=O)C[C@H]1CCC(=O)N1 1061699722 QNYBSGZSAYCVPZ-OLZOCXBDSA-N 323.393 -0.035 30 20 DBED O=C(Cc1cnoc1)NC[C@H]1COCCN1C(=O)C#CC1CC1 1061801009 OTFRLMRCOLDLAK-AWEZNQCLSA-N 317.345 -0.026 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)c1cncnc1O 1061853692 UPBMRHXWHNAOCR-UWVGGRQHSA-N 319.321 -0.701 30 20 DBED Cc1nonc1CC(=O)NC[C@@H]1COCCN1C(=O)[C@@H](C)C#N 1061855396 OAZQARMCJURNEB-GXSJLCMTSA-N 321.337 -0.576 30 20 DBED C=CCOCC(=O)NCC1(NC(=O)CCCC(N)=O)CCC1 1062704531 NZFMXAPJBRQSKH-UHFFFAOYSA-N 311.382 0.000 30 20 DBED N#Cc1nccc(N2CC[C@@H]3CN(C(=O)CC(N)=O)CC[C@@H]32)n1 1063999861 QNFNTZWTABYPHB-MNOVXSKESA-N 314.349 -0.349 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)[C@H]2CN(C)C(=O)N2)CCC1 1064311123 XXLBJQBIPCIGOI-VHSXEESVSA-N 307.354 -0.675 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CN(C(=O)c2ccc(O)nn2)CCO1 1064812121 LQUMTBBMSDCXGM-NXEZZACHSA-N 319.321 -0.701 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCO[C@@H](CNC(=O)COCC)C1 1065279038 SNHUSAPMBOCBDD-STQMWFEESA-N 314.382 -0.042 30 20 DBED C=C[C@H](CC)CC(=O)N1CCO[C@H](CNC(=O)CC(N)=O)C1 1065490908 PMTZCDZMDXGSDW-VXGBXAGGSA-N 311.382 -0.192 30 20 DBED C#CCNC(=O)CC(=O)N(C)CCCN(C)C(=O)c1cnon1 1067239650 GWBKWRRUBJCJLZ-UHFFFAOYSA-N 321.337 -0.870 30 20 DBED N#Cc1nccnc1NC[C@H]1C[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 1068573248 MKLCPTXRLBNBAZ-QXEWZRGKSA-N 315.337 -0.664 30 20 DBED C[C@@H]1C[C@@H](Nc2cncc(C#N)n2)CN1C(=O)c1nnn(C)n1 1069178153 KTPDVCSFYDVQPT-RKDXNWHRSA-N 313.325 -0.413 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC(CC)(NC(=O)C(N)=O)CC1 1069374395 LBUDVQXJXWYHKC-LLVKDONJSA-N 309.366 -0.603 30 20 DBED N#CCN[C@@H]1CN(C(=O)c2cscn2)C[C@@H]1n1ccnn1 1070156059 OZEBUSYJCUMGEE-KOLCDFICSA-N 303.351 -0.087 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)Cn2cncn2)CCOCC1 1070261104 POSGGBPVFCOYBO-NSHDSACASA-N 320.353 -0.781 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C[C@@H]1n1ccnn1 1070280223 NKSACUAEBIRCNJ-ZSAUSMIDSA-N 315.377 -0.180 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC[C@@H](NC(=O)CC(=O)NCC)C1 1070727072 ORHZWZZMSBHYEE-CHWSQXEVSA-N 323.393 -0.342 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)c4cnnn4CC)C[C@@]3(C1)O2 1070796343 CPGKJXMCUOUHDX-WOSRLPQWSA-N 315.377 -0.154 30 20 DBED C=C(C)CN1CC[C@@]2(C1)CN(C(=O)Cn1cnnn1)C[C@H](C)O2 1071133395 ASTVEUZJWSYKJQ-DZGCQCFKSA-N 320.397 -0.059 30 20 DBED C[C@H]1CN(C(=O)c2cn(C)nn2)C[C@]2(CCN(CC#N)C2)O1 1071164008 FWPBXUCAQBGYHO-SMDDNHRTSA-N 304.354 -0.356 30 20 DBED C#CCN1C[C@H](NC(=O)c2cnc(O)n(C)c2=O)CC[C@H]1C 1071734863 BZMPACKCQRBEQZ-GHMZBOCLSA-N 304.350 -0.298 30 20 DBED C=CCCC(=O)N1C[C@H](C)[C@H](NC(=O)CCn2cnnn2)C1 1071790804 LODTUFCWNSNVMT-NWDGAFQWSA-N 306.370 -0.008 30 20 DBED C=CCOCC(=O)N[C@H]1CN(C(=O)Cc2n[nH]c(C)n2)C[C@H]1C 1072062989 JJHUERNJBJCMTC-PWSUYJOCSA-N 321.381 -0.179 30 20 DBED C=CCCN1C[C@@H](NC(=O)c2cn(CC(N)=O)nn2)CC[C@H]1C 1072099847 YDTXJJVDRVQATN-NEPJUHHUSA-N 320.397 -0.078 30 20 DBED C=CCCOCC(=O)N[C@H]1CN(C(=O)c2cnn(C)n2)C[C@@H]1C 1072390185 MZYUYVAUQJBSNE-AAEUAGOBSA-N 321.381 -0.016 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(C(=O)c2cn(C)nn2)C[C@@H]1C 1073819308 CGGCWLKINCWLCY-NWDGAFQWSA-N 321.381 -0.016 30 20 DBED C=CCN1CCCO[C@H](CNC(=O)[C@@H]2CCCS2(=O)=O)C1 1073896693 YPUCAKWLPUDNGP-OLZOCXBDSA-N 316.423 -0.043 30 20 DBED C=CCOCC(=O)N1CC[C@@H](NC(=O)c2cnnn2C)[C@H](C)C1 1073921912 SWZMATGEMPIBCD-VXGBXAGGSA-N 321.381 -0.016 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(O)(CNC(=O)c2cnon2)CC1 1074704728 HIHIPEHWEYARGC-VIFPVBQESA-N 307.310 -0.687 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(O)(CNC(=O)Cc2cc[nH]n2)CC1 1074705484 SSOVLWIGFIPCKZ-NSHDSACASA-N 319.365 -0.418 30 20 DBED COC[C@H](C)C(=O)NCC1(O)CCN(C(=O)[C@@H](C)C#N)CC1 1074705783 ZDFXASIQWDLZEU-RYUDHWBXSA-N 311.382 -0.102 30 20 DBED C#CCCN1C[C@@H]2CCN(C(=O)Cn3ccc(O)nc3=O)[C@@H]2C1 1076002998 MQRHKDIZWJAIGK-QWHCGFSZSA-N 316.361 -0.495 30 20 DBED CC(C)C#CC(=O)N[C@@H](C)CCNC(=O)CN1CC(=O)NC1=O 1077818993 HTKKJXIZBJZEOE-NSHDSACASA-N 322.365 -0.791 30 20 DBED C[C@@H](CCNC(=O)[C@H](C)C#N)NC(=O)c1cccnc1C(N)=O 1078133353 HRDOUWMGYKXQHM-ZJUUUORDSA-N 317.349 -0.035 30 20 DBED C=C(C)CN[C@H]1C[C@H]2CC[C@H]1N(C(=O)CN1CCNC(=O)C1)C2 1079013079 SQUJCTVHHBVCPY-QLFBSQMISA-N 320.437 -0.037 30 20 DBED C=CCOCC(=O)N(CC)C1CN(C(=O)[C@]2(C)CCNC2=O)C1 1079492921 RCKJXCOJRSDIAN-MRXNPFEDSA-N 323.393 -0.226 30 20 DBED C#CCOCCC(=O)N(CC)C1CN(C(=O)c2cnn[nH]2)C1 1079772501 WIMHNKCPKFFUSL-UHFFFAOYSA-N 305.338 -0.483 30 20 DBED C=CCOCC(=O)N1CC(N(CC)C(=O)C[C@H]2CCNC2=O)C1 1079897236 SENYTAZJDSCZHQ-GFCCVEGCSA-N 323.393 -0.226 30 20 DBED C=C(C)CCC(=O)N1C[C@H](O)[C@H](CNC(=O)CNC(C)=O)C1 1081206928 DIVKLFVTBWICJR-OLZOCXBDSA-N 311.382 -0.586 30 20 DBED C#CCOCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2ccon2)C1 1081302072 GKUYPMXUBJTJDQ-WCQYABFASA-N 321.333 -0.736 30 20 DBED CC(C)(C)C(=O)C(=O)NC[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1081349257 NWSJFSRQKJYLSG-CHWSQXEVSA-N 320.389 -0.050 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@H](CNC(=O)CCCC(N)=O)C1 1081576537 BVPZHDJQHUIEPC-OLZOCXBDSA-N 323.393 -0.619 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CCCCN1C(=O)Cn1ncnn1 1082093432 RXCWEYOMYQFHFJ-MNOVXSKESA-N 305.342 -0.670 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CCCCN1C(=O)[C@H]1CNC(=O)N1 1082260554 ZQFAPAQDMXDYJA-QWHCGFSZSA-N 318.377 -0.422 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@H]2CCCCN(C)C2=O)[C@H](OC)C1 1082323703 ILRYKCCJLACBKG-MGPQQGTHSA-N 307.394 -0.307 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1n[nH]c2c1CCC2 1083129213 ZPFAZZHGUFIQNB-QWHCGFSZSA-N 301.350 -0.053 30 20 DBED C#Cc1cncc(C(=O)N2CCO[C@@H]3CN(C[C@H](C)O)C[C@@H]32)c1 1083188292 NXEKHWWBJVSGCS-VBNZEHGJSA-N 315.373 -0.031 30 20 DBED Cc1cn2cc(CC(=O)N[C@@H]3CN(CC#N)C[C@@H]3O)nc2s1 1083602247 LAWKLXCLMHGSAB-NEPJUHHUSA-N 319.390 -0.068 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CN(c2snc(C)c2C#N)C[C@H]1O 1090360218 ALJZSACZUCCFHU-GHMZBOCLSA-N 323.378 -0.875 30 20 DBED N#Cc1nc(=N[C@@H]2C[C@H](NC(=O)CC(N)=O)C23CCC3)cc[nH]1 1090593121 BMGIDRWGHJPBTQ-ZJUUUORDSA-N 314.349 -0.515 30 20 DBED C=CCCn1cc(C(=O)N[C@H]2CCN(CCOC)C[C@@H]2O)nn1 1090638114 OCGUSVAKIZFHBN-JSGCOSHPSA-N 323.397 -0.334 30 20 DBED C#CCN1CC[C@H](NC(=O)c2ccc(C(=O)NC)nc2)[C@@H](O)C1 1090733498 GYFBYHFIJXCOEL-JSGCOSHPSA-N 316.361 -0.761 30 20 DBED CNC(=O)c1cccc(C(=O)N[C@H]2CCN(CC#N)C[C@H]2O)c1 1090823987 MWZHGBRMPCBJGW-UONOGXRCSA-N 316.361 -0.265 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(c2ccc(C)nn2)C[C@@H]1O 1091152950 NBXRWAOSDWJCQO-XQQFMLRXSA-N 304.350 -0.511 30 20 DBED CNC(=O)NC(C)(C)C(=O)NCCN=c1cc[nH]c(C#N)n1 1093673093 HQGCYJDESWIALV-UHFFFAOYSA-N 305.342 -0.994 30 20 DBED Cc1ccc(=O)n(CC(=O)NCCNc2nccnc2C#N)n1 1093770868 LUAIWPGQWPZIMB-UHFFFAOYSA-N 313.321 -0.558 30 20 DBED N#Cc1nccnc1NCCNC(=O)[C@H]1CN2CCC[C@@H]2CO1 1094202964 IIRNGBMERVEQKY-DGCLKSJQSA-N 316.365 -0.260 30 20 DBED C#CCN1CC(n2cc(CNC(=O)c3cn(C)c(O)n3)nn2)C1 1094315629 VRCLQXVHQCNSSV-UHFFFAOYSA-N 315.337 -0.863 30 20 DBED C#CCCN1CC(N2C[C@@H](NC(=O)C[C@H]3CCOC3)CC2=O)C1 1094716093 VPPVTOZTRUJFSC-KGLIPLIRSA-N 319.405 -0.162 30 20 DBED N#CCN1CC(N2C[C@@H](NC(=O)[C@@H]3[C@H]4CCC[C@H]43)CC2=O)C1 1094720704 PHVYQIZTPNIXSH-MUYACECFSA-N 302.378 -0.043 30 20 DBED C=C(C)CN1CC(N2C[C@@H](NC(=O)Cc3cnc[nH]3)CC2=O)C1 1094788790 URYVCFDMVXKHQC-ZDUSSCGKSA-N 317.393 -0.070 30 20 DBED CN(C)C(=O)CC(=O)N[C@@H]1CCN(c2ccnc(C#N)n2)C1 1096487823 CSHCJIQTFCHWBU-SNVBAGLBSA-N 302.338 -0.479 30 20 DBED COCCn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC#N)nn1 1097063089 FRCOVQLLQVBKTL-WZRBSPASSA-N 304.354 -0.217 30 20 DBED C[C@@H](CNC(=O)[C@H]1CN(C)C(=O)N1)Nc1ccc(C#N)nc1 1098213998 UIAYAIZIGCEWMK-JOYOIKCWSA-N 302.338 -0.107 30 20 DBED C#CCCN(CCO)C1CCN(C(=O)c2cnn(C)c2N)CC1 1098351378 NOSUKIOOTULCHB-UHFFFAOYSA-N 319.409 -0.076 30 20 DBED C#CCN(CCO)C1CCN(C(=O)[C@H](OC)[C@H]2CCOC2)CC1 1098442736 LOLZSKZCNATUTB-GOEBONIOSA-N 324.421 -0.044 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)CCCCC)[C@H](O)C1 1099675236 JLWIRPJRCITOSV-UONOGXRCSA-N 309.410 -0.133 30 20 DBED CC/C=C(/C)C(=O)N[C@@H]1CCN(CC(=O)NCC#N)C[C@H]1O 1099720654 HOEKCRJWHNONTG-ZYFYVMIWSA-N 308.382 -0.466 30 20 DBED C#CCCCC(=O)N[C@H]1CCN(CC(=O)N2CCC2)C[C@@H]1O 1099806718 FPEKSFNJTYOJMK-KBPBESRZSA-N 307.394 -0.426 30 20 DBED CCc1n[nH]cc1C(=O)N[C@@H]1CCN(CC#CCOC)C[C@@H]1O 1099898545 DHNUDZHJTXCFCP-CABCVRRESA-N 320.393 -0.213 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)c2cc(F)c[nH]2)[C@H](O)C1 1099920814 GFLULARTXVOFQQ-DGCLKSJQSA-N 322.340 -0.932 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCN(CCOCC)C[C@@H]2O)nn1 1100027347 PJCHMJAQFZUCGP-OCCSQVGLSA-N 323.397 -0.334 30 20 DBED C=C(Cl)CN1CC[C@H](NC(=O)CCNC(N)=O)[C@H](O)C1 1100103604 OSUCWHAAAWSVJQ-VHSXEESVSA-N 304.778 -0.651 30 20 DBED CN1CC[C@H](C(=O)NCCN(C)c2ccnc(C#N)n2)C1=O 1100273025 BSRDPQIVMFYGKV-SNVBAGLBSA-N 302.338 -0.621 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CC(CNC(=O)CC(C)(C)O)C1 1100291350 UEFUSZPGFSFHHL-PNESKVBLSA-N 309.410 -0.230 30 20 DBED CN(CCNC(=O)c1cn(C)ccc1=O)c1cncc(C#N)n1 1100421526 RTHMZMKZLBGZSU-UHFFFAOYSA-N 312.333 -0.087 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)C2CCN(C)CC2)C1 1100635022 XKZUEUJEBXJVQJ-UHFFFAOYSA-N 320.437 -0.438 30 20 DBED C=CCN1C[C@@H]2CN(C(=O)CS(=O)(=O)N(C)C)C[C@]2(C)C1 1101449759 KLLPJCLXAMHTIL-OCCSQVGLSA-N 315.439 -0.156 30 20 DBED COCC#CCN1C[C@@H](C)[C@H](CNC(=O)[C@H](C)NC(N)=O)C1 1101911645 MGCLHCXNQHQDMV-FRRDWIJNSA-N 310.398 -0.623 30 20 DBED Cc1cc(C#N)nc(NCCN(C)C(=O)[C@H]2CNC(=O)N2)n1 1101921340 MKWNKGJFEXUXHJ-SNVBAGLBSA-N 303.326 -0.792 30 20 DBED C=CCOCCN1C[C@@H](C)[C@H](CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 1102368472 VPKXEBVADLCQJV-SYQHCUMBSA-N 309.410 -0.006 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(C#N)nn1 1102547550 FAXPREHMHLNYQJ-STQMWFEESA-N 324.344 -0.723 30 20 DBED CC[C@H](CNC(=O)[C@H]1CCNC1=O)Nc1cncc(C#N)n1 1103259097 DCIVCNIOFPZEKE-KOLCDFICSA-N 302.338 -0.209 30 20 DBED C[C@H](CNC(=O)[C@@H]1COCCO1)CNc1nccnc1C#N 1103877818 HNXKJOWPQZFBPR-JQWIXIFHSA-N 305.338 -0.072 30 20 DBED C#CCNCc1cn(C2CN(C(=O)[C@]3(C)CCC(=O)N3)C2)nn1 1105322329 KGKYVWHTOVQXCN-HNNXBMFYSA-N 316.365 -0.947 30 20 DBED C#CCCNCc1cn(C2CN(C(=O)[C@@H]3CCC(=O)N3)C2)nn1 1105363164 SDEHRHVYURWALQ-ZDUSSCGKSA-N 316.365 -0.947 30 20 DBED Cn1ccc(C(=O)N2CC(n3cc(CNCC#N)nn3)C2)n1 1105372662 RLBSFWKBAAKLJE-UHFFFAOYSA-N 300.326 -0.678 30 20 DBED Cc1nc(NC[C@@H](O)CNC(=O)c2cnnn2C)ccc1C#N 1105833712 PHFYFACCCXDSJN-LLVKDONJSA-N 315.337 -0.407 30 20 DBED CCN(CCNc1cncc(C#N)n1)C(=O)[C@H](C)NC(N)=O 1106735718 DQAQVALJHBIIOH-VIFPVBQESA-N 305.342 -0.335 30 20 DBED C=CCNC(=O)CN1CCO[C@](C)(CNC(=O)[C@H](C)OC)C1 1107777157 ICGAEZCTWLJTCO-SWLSCSKDSA-N 313.398 -0.469 30 20 DBED CC#CCN1CCO[C@](C)(CNC(=O)CN2CCCNC2=O)C1 1108049597 MXHGAYJTCXDHAY-MRXNPFEDSA-N 322.409 -0.368 30 20 DBED CCNC(=O)CC(=O)N[C@@H](C)CN(C)c1nccnc1C#N 1108944372 BMRAQHXUXKKJCR-JTQLQIEISA-N 304.354 -0.185 30 20 DBED C[C@@H](CN(C)c1cnc(C#N)cn1)NC(=O)[C@@H]1CCC(=O)N1 1109027748 XFBIVSNGVMZHGX-ONGXEEELSA-N 302.338 -0.432 30 20 DBED N#Cc1nccc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)CCc2nc[nH]n2)n1 1109692675 CBHXKEMRRWTSDA-FTGAXOIBSA-N 324.348 -0.208 30 20 DBED CC[C@@H](OC)C(=O)NC[C@]1(O)CCN(c2nccnc2C#N)C1 1111044093 SEORITOGFYWRCK-IUODEOHRSA-N 319.365 -0.169 30 20 DBED N#Cc1nccnc1N1CC[C@](O)(CNC(=O)c2ccon2)C1 1111052360 PIIHEYTWRKOTOE-AWEZNQCLSA-N 314.305 -0.293 30 20 DBED C[C@@H](Nc1nccnc1C#N)[C@@H]1CCN(C(=O)CNC(N)=O)C1 1111206139 VPEDHDPKSGDCEC-NXEZZACHSA-N 317.353 -0.335 30 20 DBED CC(=O)NCC(=O)N1C[C@@H](C)[C@@H](CNc2nccnc2C#N)C1 1111233447 SAUFLOZKSNUICR-PWSUYJOCSA-N 316.365 -0.009 30 20 DBED N#Cc1cnc(NCCN(CCO)C(=O)[C@]2(F)CCOC2)cn1 1111546268 BZIPMLUSOMSBBE-AWEZNQCLSA-N 323.328 -0.290 30 20 DBED CC(C)(O)CC(=O)NC[C@@H]1COCCN1c1ccc(C#N)nn1 1111677421 CSAOBVRDHJOTAN-GFCCVEGCSA-N 319.365 -0.169 30 20 DBED C[C@H](NC(=O)CS(C)(=O)=O)[C@H](C)Nc1cncc(C#N)n1 1112926927 WAAWVLBLESYYPP-IUCAKERBSA-N 311.367 -0.302 30 20 DBED C[C@H](NC(=O)CN1CCOCC1)[C@@H](C)Nc1cncc(C#N)n1 1112971166 MXNKOVRPAJLULF-NEPJUHHUSA-N 318.381 -0.014 30 20 DBED C[C@H](NC(=O)C(C)(C)C(N)=O)[C@@H](C)N=c1cc[nH]c(C#N)n1 1113187715 DWBVRILEGQRZOS-BDAKNGLRSA-N 304.354 -0.413 30 20 DBED CO[C@H]1CCC[C@H](C(=O)N2CCN(CC(=O)NCC#N)CC2)C1 1113270255 IEZXANVTRSIZFY-KBPBESRZSA-N 322.409 -0.024 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CCCNC1=O)N(C)c1cncc(C#N)n1 1113744496 OYRGWKSKUUHPMH-CMPLNLGQSA-N 316.365 -0.185 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)CNC(=O)C3CC3)[C@H]2C1 1113937549 HUVSOOJFCJSHIP-NHAGDIPZSA-N 305.378 -0.791 30 20 DBED C=CCN1CC[C@H](N2C[C@H]3[C@H](NC(=O)CC(C)(C)O)[C@H]3C2)C1=O 1114213253 XPGHNKQRSXCTKA-SFDCQRBFSA-N 321.421 -0.019 30 20 DBED C#CCC1(C(=O)NC2[C@@H]3CN(CC(=O)NC(N)=O)C[C@@H]23)CCC1 1114396908 FUASWRZUBOXEDL-GHMZBOCLSA-N 318.377 -0.579 30 20 DBED Cc1c(C(=O)NC2[C@H]3CN(CC(=O)NCC#N)C[C@H]23)ccn1C 1114796845 NHCJBAXLAXSOCD-STQMWFEESA-N 315.377 -0.367 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)c3ccn(C)n3)[C@H]2C1 1115241465 IIMNURBSYSHZTD-QWRGUYRKSA-N 303.366 -0.618 30 20 DBED Cc1cc(C#N)nc(N[C@H](C)CN(C)C(=O)[C@H](C)NC(N)=O)n1 1115674490 IMMQKXHUNZSYJX-ZJUUUORDSA-N 319.369 -0.028 30 20 DBED C#CCCCCNC(=O)C(=O)N1CCC[C@H](CNC(N)=O)C1 1117374790 HDXFCXVJPCGAAT-GFCCVEGCSA-N 308.382 -0.187 30 20 DBED C#CCNC(=O)C1CCN(C(=O)c2cc3n(n2)CCO3)CC1 1117663780 RYIBBWCBVOPIGU-UHFFFAOYSA-N 302.334 -0.123 30 20 DBED C#CC1CCN(C(=O)C(=O)N[C@H]2CCCS(=O)(=O)C2)CC1 1118220511 XCTIVYULWQHUGC-LBPRGKRZSA-N 312.391 -0.448 30 20 DBED C=CCN(C(=O)C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1)C(C)C 1118299732 NWZQXDTWKNNPSA-LLVKDONJSA-N 317.411 -0.441 30 20 DBED Cc1ncc(C(=O)NC[C@H](CO)Nc2nccnc2C#N)[nH]1 1121235741 QWRSSXZMOHDQNI-SECBINFHSA-N 301.310 -0.417 30 20 DBED CN1CCC[C@@H]1C(=O)NC[C@H](CO)N=c1cc[nH]cc1C#N 1121239958 FSKSECVKVFXTQC-TZMCWYRMSA-N 303.366 -0.642 30 20 DBED Cc1nsc(N[C@H](CO)CNC(=O)c2cnon2)c1C#N 1121881255 CUDYFZWLBVPKTO-ZETCQYMHSA-N 308.323 -0.091 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H](CO)Nc1nc(C)cc(OC)n1 1122036997 SLIGNEJWSPSRCB-VXGBXAGGSA-N 322.365 -0.279 30 20 DBED C=CC(C)(C)C(=O)NC[C@@H](CO)Nc1nccn2nnnc12 1122310216 LDWWLOIKKGMOQD-VIFPVBQESA-N 305.342 -0.380 30 20 DBED C[C@@H]1[C@H](NC(=O)CC(N)=O)CCCN1c1nccnc1C#N 1123523280 SOQCPLYXKMKGJQ-NXEZZACHSA-N 302.338 -0.303 30 20 DBED CN(C[C@H](O)CNc1nccnc1C#N)C(=O)[C@H]1CCCN1C 1124208871 YUSJXLFWSUHVJX-DGCLKSJQSA-N 318.381 -0.326 30 20 DBED CN(C[C@H](O)CNc1ncccc1C#N)C(=O)[C@H]1C[C@H]1C(N)=O 1124769518 JQYDVWILDLXEQU-UTUOFQBUSA-N 317.349 -0.694 30 20 DBED C=CCOCCCC(=O)NCCNCCN(C)S(C)(=O)=O 1125248055 NSYUPROTGAQTLN-UHFFFAOYSA-N 321.443 -0.434 30 20 DBED N#Cc1ccc(CNCCNC(=O)Cn2ncnn2)cc1F 1127433805 VANWERJQTOOWLD-UHFFFAOYSA-N 303.301 -0.410 30 20 DBED COC[C@H](O)CN1CCn2ncc(CNC(=O)[C@@H](C)C#N)c2C1 1128265040 RXKPVXFLHBSNAN-WCQYABFASA-N 321.381 -0.518 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)CN(C)CCC)C1 1129404193 NINDHBJNHLARMA-KGLIPLIRSA-N 304.398 -0.405 30 20 DBED CC#CCN[C@@H]1CN(C(=O)[C@H]2CCOC2)C[C@@H]1n1ccnn1 1129655927 IPSCYURSYYRXLC-MJBXVCDLSA-N 303.366 -0.321 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)c1onc(C)c1C 1130068543 QGIJFYRCOUYJMI-UHFFFAOYSA-N 323.353 -0.377 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@H](C)OCC=C)C[C@@H]1n1ccnn1 1130151204 IXHXMFSGMDEHDP-MJBXVCDLSA-N 303.366 -0.156 30 20 DBED CNC(=O)CN1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H](C)C#N)C1 1130361210 ITAAVGSDSHAUAX-WDEREUQCSA-N 318.381 -0.279 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H](C)O[C@]2(CCN(CC#C)C2)C1 1131654303 YVOCQMJSCAPYMF-YOEHRIQHSA-N 317.389 -0.549 30 20 DBED C#CCNC(=O)CN1C[C@H](NC(=O)CN(C)C(C)=O)CC[C@@H]1C 1131833588 BOCRFILGELBVAG-GXTWGEPZSA-N 322.409 -0.817 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)Cc1nonc1C 1135823435 AVAQQKCIUVDVAF-GHMZBOCLSA-N 321.381 -0.457 30 20 DBED C=C(C)CN(CC)C(=O)CNCCNC(=O)[C@@H]1CCC(=O)N1 1148418076 SNYVXAVVYSBIKU-LBPRGKRZSA-N 310.398 -0.605 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CCN(C(C)=O)C1 1149324889 DNWNPYIYNRVLAM-YPMHNXCESA-N 310.398 -0.749 30 20 DBED C[C@]1(C(=O)NC[C@@H]2CN(CC#N)CCCO2)CCC(=O)NC1 1150160221 XPAWSHNFNNTBMA-DOMZBBRYSA-N 308.382 -0.367 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)c1nnn(C)c1C 1156093758 JQHBOHCDDBEZTG-SNVBAGLBSA-N 308.386 -0.476 30 20 DBED CN(CC(=O)NCCC1=CCN(CC#N)CC1)S(C)(=O)=O 1160279056 CUEPGCXIAJCFER-UHFFFAOYSA-N 314.411 -0.460 30 20 DBED C=CCCn1cc(C(=O)NCCCNCCOCCO)nn1 1167992504 YQEBTNJEJJTDON-UHFFFAOYSA-N 311.386 -0.427 30 20 DBED C[C@H](CCCCNCC(=O)NCC#N)NC(=O)[C@@]12COC[C@@H]1C2 1170888044 NWYFLNCEILLSAM-WWGRRREGSA-N 322.409 -0.073 30 20 DBED C=CCNC(=O)CNCCCC[C@H](C)NC(=O)[C@H]1C[C@H]1C(N)=O 1175286877 BZKJQKYBPQNIQI-XQQFMLRXSA-N 324.425 -0.325 30 20 DBED CC1(C(=O)N2CC[C@@H]3OCCN(CC(=O)NCC#N)[C@H]3C2)CC1 1177012522 JTRUDWZJVHKKMJ-STQMWFEESA-N 320.393 -0.272 30 20 DBED N#CCN1CCO[C@H]2CCN(C(=O)CC(=O)NCC3CC3)C[C@H]21 1177130408 ANFBEMSXIZXPIP-KGLIPLIRSA-N 320.393 -0.272 30 20 DBED COCC#CCN[C@H]1CCN(C(=O)CN2CCCC2=O)[C@H]1C 1178086055 PFELIDRGQUBMNP-KBPBESRZSA-N 307.394 -0.162 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@H](NCc2nnnn2C)[C@@H]1C 1178678945 WQQYODSTAOXKEX-SRVKXCTJSA-N 306.370 -0.673 30 20 DBED C#CCNC[C@H]1CN(C(=O)CC(=O)N(C)C)CC12CCOCC2 1186512926 OWYNVXQQFYSXOP-AWEZNQCLSA-N 321.421 -0.057 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](N(C)Cc2ncccn2)C1 1189760368 KDFRXJAARCJWMU-ZDUSSCGKSA-N 315.377 -0.351 30 20 DBED C#CCOCCC(=O)N1CC[C@H](N(C)Cc2nncn2C)C1 1190122022 UXZNQRPWLPAROQ-ZDUSSCGKSA-N 305.382 -0.112 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)c2ccccn2)C1 1190668263 NXZKMNIDKCVIAW-IACUBPJLSA-N 318.377 -0.453 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@@H]1CCN(C(=O)C(C)(C)C(N)=O)C1 1190776483 OGYATVUQMJBPMT-VXGBXAGGSA-N 322.409 -0.832 30 20 DBED C[C@@H](C(=O)NC1CC1)N1C[C@@H](O)[C@H](NC(=O)C#CC2CC2)C1 1192826909 MACFGGKUCNSJFH-ZLKJLUDKSA-N 305.378 -0.772 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)C(C)(C)NC(=O)NCC)C1 1196609317 XRQINIVMUCTNKB-VXGBXAGGSA-N 312.414 -0.179 30 20 DBED CO[C@@H](C(=O)N1CCCN(CC(=O)NCC#N)CC1)C1CCC1 1196674375 VKZVSFZBHBDTBG-OAHLLOKOSA-N 322.409 -0.024 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)CCCOC)C1 1197558456 CBKRHEXANOKLLT-RRFJBIMHSA-N 312.410 -0.140 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@H](CC)N2CCCC2=O)C1 1198833710 DMPXTGUZVKERBT-HZSPNIEDSA-N 307.394 -0.428 30 20 DBED CC#CCNC[C@H]1CN(C(=O)CCn2cnnn2)CCCO1 1201713826 ZWZGEACJJIZUSK-ZDUSSCGKSA-N 306.370 -0.706 30 20 DBED CC#CCNC[C@H]1CN(C(=O)[C@H]2CN(CC)CCO2)CCCO1 1202109278 OCZGPPLGHCAVOW-JKSUJKDBSA-N 323.437 -0.063 30 20 DBED C=CCOCCNCC1CCN(C(=O)Cn2cnnn2)CC1 1204427623 OHTBIEKFRHCBBP-UHFFFAOYSA-N 308.386 -0.296 30 20 DBED C=CCOCCN1C[C@@H](NC(=O)CN2CCOCC2)[C@H](C)C1 1206878637 WBAIWCNKEKQANQ-HUUCEWRRSA-N 311.426 -0.042 30 20 DBED C#CCCN1C[C@@H](NC(=O)CN(C)S(C)(=O)=O)[C@H](C)C1 1207307593 VUWFLDOBDUVZJK-VXGBXAGGSA-N 301.412 -0.662 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCN(C(=O)C2CCC(O)CC2)C1 1207924486 NKZXJWJLVWLCBV-ROKHWSDSSA-N 322.409 -0.242 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)[C@@]2(C)C=CCC2)[C@H](OC)C1 1213272961 ATLMHOJYQBARFJ-CPUCHLNUSA-N 319.405 -0.093 30 20 DBED CC#CCN1C[C@@H](NC(=O)[C@H](CC(C)C)C(N)=O)[C@H](OC)C1 1214001959 PRSPLYIPKKMWEF-MGPQQGTHSA-N 309.410 -0.027 30 20 DBED C[C@@H]1CN(C(=O)C[C@@H]2CCCO2)C[C@H]1NCC(=O)NCC#N 1214193044 CSEFJQXSGRQWDK-FRRDWIJNSA-N 308.382 -0.368 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](NCc2cnon2)[C@H](C)C1 1214473304 CWFJRRXQOPPXJV-ZYHUDNBSSA-N 305.338 -0.854 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1C 1214555533 KHOIARPTEQTXJM-GHMZBOCLSA-N 306.370 -0.833 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2ccncc2C)C1 1219567610 BDZZIUSCOPSWGR-KGLIPLIRSA-N 318.377 -0.533 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CN(C[C@@H]2CCc3ncnn32)C[C@@H]1O 1219593261 JPBFAILOVQQDTK-MJBXVCDLSA-N 315.377 -0.660 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)NC(C)=O 1224612521 AXZQHPUNECOXHQ-IACUBPJLSA-N 324.425 -0.170 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)c2cn(C)cn2)CC1 1226852454 VTSLRDOWVMLKLX-UHFFFAOYSA-N 305.382 -0.084 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cnon1 1229224520 ZVVQWPXEUPXUTR-GHMZBOCLSA-N 305.338 -0.550 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)c2c(C)n[nH]c2C)CC1 1229626180 SXILCUFIVXBLIO-UHFFFAOYSA-N 317.393 -0.030 30 20 DBED CN(C[C@H]1CCN1CC(=O)NCC#N)C(=O)c1cnsn1 1230876501 LFPPZAGQMUXIMK-SECBINFHSA-N 308.367 -0.676 30 20 DBED Cc1noc([C@H](C)N(C)C(=O)C(=O)N2CCO[C@@H](C#N)C2)n1 1261557373 CZPINPVZSYWKPT-WPRPVWTQSA-N 307.310 -0.352 30 20 DBED C=CCn1cc(C(=O)O[C@@H]2C(=O)NCC23CCOCC3)nn1 1263477867 IHYFCYRIJQENBX-LLVKDONJSA-N 306.322 -0.084 30 20 DBED C[C@@]1(C#N)CCCN(C(=O)C(=O)NCc2nnc3n2CCC3)C1 1321397650 YKIGGBKXDDMARN-HNNXBMFYSA-N 316.365 -0.007 30 20 DBED N#CCN1CCC(CNC(=O)N2CCS(=O)(=O)CC2)CC1 1321397862 YIDKGWMGESTMNO-UHFFFAOYSA-N 314.411 -0.338 30 20 DBED C=CCN(C(=O)C[C@@H]1CCC(=O)N1)[C@H]1CCS(=O)(=O)C1 1327802392 CSGSHVFRLGLMLH-QWRGUYRKSA-N 300.380 -0.143 30 20 DBED COC[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)C1 1329452568 KJWLHJLJSFIIDT-DOMZBBRYSA-N 309.366 -0.252 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](CO)C2)CCN1C1CC1 1329768759 WZJDFGLURXXIQO-GXTWGEPZSA-N 320.393 -0.584 30 20 DBED N#CCCN1CCN(C(=O)C(=O)NCCC[C@@H]2CCOC2)CC1 1330781767 XIHOPYPXMKZFHU-CQSZACIVSA-N 322.409 -0.023 30 20 DBED C#CCN(C(=O)C(=O)N1CC[C@@H]2NC(=O)CC[C@@H]2C1)C(C)C 1335122768 NQNHWWQKMSWDKY-OLZOCXBDSA-N 305.378 -0.016 30 20 DBED C=CCN1CC[C@H](n2cc(Cn3cc(CN)cn3)nn2)C1=O 1336895398 HPFSOBPUVYQFPZ-ZDUSSCGKSA-N 301.354 -0.059 30 20 DBED C#CCN(C(=O)C(=O)Nc1nn(C)cc1C(=O)OC)C1CC1 1337254604 XDROMUVPCFSOQL-UHFFFAOYSA-N 304.306 -0.231 30 20 DBED C=CCn1c([C@@H](O)COC)nnc1N1CCN2C(=O)CC[C@H]2C1 1340790589 BELGMWZRCDSTPF-RYUDHWBXSA-N 321.381 -0.045 30 20 DBED CCC(=O)N1CCN(C(=O)C(=O)Nc2cnn(CC#N)c2)C1 1345685078 WGWPYOBCHDUTCQ-UHFFFAOYSA-N 304.310 -0.617 30 20 DBED COCC[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(C#N)cn1 1347660043 ZOWFKHZGSLSGRA-CQSZACIVSA-N 306.322 -0.205 30 20 DBED C#CCn1cc(CNC(=O)CCn2cc[nH]c(=O)c2=O)cn1 1350991811 HVRQVSOONSVLOP-UHFFFAOYSA-N 301.306 -0.927 30 20 DBED CN(CC1(O)CCC1)C(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1351845979 CWXCOEQHUABGJB-ZDUSSCGKSA-N 320.393 -0.441 30 20 DBED C#CCN(C(=O)C(=O)N1C[C@@H]2CN(C(C)=O)C[C@@H]2C1)C(C)C 1356381373 BCDIKLMHKGAKHP-OKILXGFUSA-N 305.378 -0.207 30 20 DBED Cc1nc(C(=O)N2CC[C@@](O)(CC#N)C2)nn1-c1nc[nH]n1 1363522849 UXUSBCXGGMPOMP-LBPRGKRZSA-N 302.298 -0.816 30 20 DBED C[C@H](CNC(=O)Cn1cc(C#N)c(O)nc1=O)N1CCCCC1 1363705786 VCLWXKMRVKJGOV-LLVKDONJSA-N 319.365 -0.189 30 20 DBED C=C(Cl)CN[C@@H](C)CCNC(=O)CN1CCN(C)C(=O)C1 1366483480 ZEEGJPTUCCHMFY-LBPRGKRZSA-N 316.833 -0.003 30 20 DBED CC(C)[C@@H](CNC(=O)c1cc(C#N)c[nH]1)NCc1nnn(C)n1 1374416603 SCJXANGUGFTRFU-GFCCVEGCSA-N 316.369 -0.046 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](C)CNC(=O)c1nc2ncccn2n1 1375755050 OJMIMAFNCMFKPH-ZJUUUORDSA-N 315.337 -0.234 30 20 DBED C[C@@H](CNC(=O)c1c[nH]c(C#N)c1)NC(=O)[C@@H]1CCC(=O)N1 1389449987 RKHYXTHDCWNBGB-KWQFWETISA-N 303.322 -0.601 30 20 DBED CCS(=O)(=O)CC(=O)N1CC[C@@H](N(C)C(=O)[C@@H](C)C#N)C1 1396801529 XYPNBCMKEDYEKQ-WDEREUQCSA-N 315.395 -0.360 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1cc(C2CC2)[nH]n1 1399877732 VZVVAFHIKYAMBW-WPRPVWTQSA-N 305.338 -0.346 30 20 DBED COC(=O)NCC(=O)N1CC[C@]2(CCN(C(=O)[C@@H](C)C#N)C2)C1 1410858487 BELQEZLBJYELOX-NHYWBVRUSA-N 322.365 -0.047 30 20 DBED C[C@H](CNC(=O)Cn1cc(C#N)c(O)nc1=O)Cn1ccnc1 1412584315 MAQZDUCNFVYWJW-SNVBAGLBSA-N 316.321 -0.530 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](CNC(=O)CN1CCCC1=O)C1CC1 1414828760 ZCKFDALVANGPSZ-CMPLNLGQSA-N 306.366 -0.221 30 20 DBED CCN(CCNC(=O)[C@H](C)C#N)C(=O)[C@H](C)NS(C)(=O)=O 1429683154 LXQSDUUACMGELP-ZJUUUORDSA-N 318.399 -0.952 30 20 DBED COCC(=O)N(C)CC(=O)N[C@]1(C)CCN(C(=O)[C@@H](C)C#N)C1 1432562519 NYFXREUMQKXECA-XHDPSFHLSA-N 324.381 -0.642 30 20 DBED CCOCC(=O)N1CC[C@](O)(CNC(=O)c2cc(C#N)c[nH]2)C1 1432794625 ZCRBAQKNRHNQON-HNNXBMFYSA-N 320.349 -0.384 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC(CO)(CO)CC1 1434613486 LZWCJRZXHURBLT-NSHDSACASA-N 305.400 -0.468 30 20 DBED C[C@@H](C#N)C(=O)N1CC([C@@H](C)NC(=O)C2(NC(N)=O)CC2)C1 1443216194 WUIMFKUYFYHSHR-DTWKUNHWSA-N 307.354 -0.690 30 20 DBED C[C@@H](CN(C)C(=O)c1cn(C)c(=O)nc1O)NC(=O)[C@H](C)C#N 1443827936 SRTFAKMRCMQPLA-BDAKNGLRSA-N 321.337 -0.778 30 20 DBED COC(=O)NCC(=O)N1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 1446950942 CHMPAZYRJRMMDT-SNVBAGLBSA-N 319.321 -0.427 30 20 DBED C[C@H]1COC[C@@H]1NC(=O)CNS(=O)(=O)c1cccc(C#N)c1 1458021944 CFYJLOVKJSFWNC-GWCFXTLKSA-N 323.374 -0.012 30 20 DBED N#Cc1ccnc(C(=O)N2CCC[C@H](CNS(N)(=O)=O)C2)c1 1464212879 OFUNWIXZWVXWEJ-LLVKDONJSA-N 323.378 -0.401 30 20 DBED C[C@H](CNC(=O)Cn1cnnn1)NCc1ccc(F)c(C#N)c1 1480421329 KUDPGVQAKOBBOD-SNVBAGLBSA-N 317.328 -0.022 30 20 DBED CC(=O)N[C@@H](C)C(=O)N(C)[C@H](C)CNC(=O)c1cc(C#N)c[nH]1 1486835242 NUMYOVHACMUZAL-ZJUUUORDSA-N 319.365 -0.012 30 20 DBED CNC(=O)NCC(=O)N1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 1491006492 FGXXWJMBHFCISJ-UHFFFAOYSA-N 318.337 -0.900 30 20 DBED Cn1nccc1C(=O)NC[C@H](O)CNC(=O)c1ccc(C#N)[nH]1 1501449667 KIOYQVKMNCMJSN-SNVBAGLBSA-N 316.321 -0.859 30 20 DBED N#Cc1nc(NC[C@@H](O)C2CCOCC2)cnc1-c1nn[nH]n1 1570918520 QPLMOAKMFZUPMA-SNVBAGLBSA-N 316.325 -0.272 30 20 DBED CS(=O)(=O)CC[C@H](N)C(=O)NCC1(C#N)CCOCC1 1574057261 JXXIYIMQUOOMTP-JTQLQIEISA-N 303.384 -0.815 30 20 DBED C=CCOC[C@H](NC(=O)C1CC2(CNC[C@H]2C#N)C1)C(=O)OC 1574944228 ZWDONRFSPZPZHC-WULFKBJJSA-N 321.377 -0.014 30 20 DBED N#CC1(C[C@H](O)CN2CCOC[C@@]2(CN)CO)CCOCC1 1580038980 XCTHLVZLOQXBLG-DZGCQCFKSA-N 313.398 -0.920 30 20 DBED C#CCN(CC(=O)O)c1nnc([C@H]2CC(=O)N(C)C2)n1CC=C 1588427230 QXRWDSIGCHDKDI-NSHDSACASA-N 317.349 -0.066 30 20 DBED C#CCOCCC(=O)N[C@H]1C[C@@H](N=c2cc[nH]c(C(=O)O)n2)C1 1588490243 WJGDTJVOMLNLHY-PHIMTYICSA-N 318.333 -0.304 30 20 DBED C=C(CCC(=O)O)C(=O)N1CCC2(CC1)C[C@H](O)CNC2=O 1588613805 DQXGPZNNXWHZIZ-NSHDSACASA-N 310.350 -0.103 30 20 DBED CC(C)(C)CNC(=O)Cn1c(=O)c(C#N)cn(CC(=O)O)c1=O 1588658009 JSXRJWOCCZIWJY-UHFFFAOYSA-N 322.321 -0.871 30 20 DBED C=CCNC(=O)CNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 1588658819 UOPLHVXPDOREAY-UHFFFAOYSA-N 322.350 -0.553 30 20 DBED COC[C@@H]1CCCN1C(=O)C(=O)N1CCC(C#N)(C(=O)O)CC1 1599203532 IAJBRNFUOBRKRF-NSHDSACASA-N 323.349 -0.159 30 20 DBED N#CCNC(=O)CNC1(CNC(=O)[C@H]2C[C@H]2C(=O)O)CCCC1 1601074664 LGVJCVPAEQCWRI-WDEREUQCSA-N 322.365 -0.635 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)C2(C(=O)O)CCC2)CC1 1602701883 BJKJOCQVMFCLEM-UHFFFAOYSA-N 321.377 -0.475 30 20 DBED COC(=O)C1=NO[C@H](Cn2cnc(-c3nn[nH]n3)c2C#N)C1 1604920428 HYBGTCPGIMTGNH-LURJTMIESA-N 302.254 -0.747 30 20 DBED N#Cc1ncc(N2CCO[C@@H](C(F)F)C2)nc1-c1nn[nH]n1 1606397494 QTPMSFKTMJGRBK-SSDOTTSWSA-N 308.252 -0.001 30 20 DBED N#Cc1c(N2CCn3ncnc3C2)cccc1S(N)(=O)=O 1647158522 ZOIWRAQNNOSRCY-UHFFFAOYSA-N 304.335 -0.183 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCCN(C(=O)c2cnn(C)c2)C1 1752987328 PQTCCLPABFVSPQ-AWEZNQCLSA-N 317.393 -0.294 30 20 DBED COCC#CCNCCN(C)C(=O)c1ccc2nc(O)[nH]c2n1 1753224745 KIZJRVWWURFXOM-UHFFFAOYSA-N 317.349 -0.025 30 20 DBED C[C@H](C#N)C(=O)NC1(CNCCN2C(=O)CNC2=O)CCCC1 1753500782 CQPANEZUGHEDJQ-LLVKDONJSA-N 321.381 -0.284 30 20 DBED CO[C@@H](C(=O)NC[C@H]1CN(CC#N)CCO1)c1cnn(C)c1 1753651540 OZADTUGWZKMUIA-QWHCGFSZSA-N 307.354 -0.552 30 20 DBED CC(C)C#CC(=O)NC[C@@H](NCCN1C(=O)CNC1=O)C(C)C 1753830125 USTNKIOZTLVFHD-CYBMUJFWSA-N 322.409 -0.072 30 20 DBED CC(C)N(C)CC(=O)N[C@@H]1CCC[C@@H]1CNCC(=O)NCC#N 1753900928 DBUVXISCIHLRDQ-ZIAGYGMSSA-N 323.441 -0.159 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@H](C)NC(=O)c1cc(OC)no1 1754265663 RCQRJWGOHWQMQT-UWVGGRQHSA-N 308.338 -0.471 30 20 DBED CC#CCN(C)C[C@@H](C)NC(=O)c1cn(CC(=O)N(C)C)nn1 1754337581 WLAKMGPKHMYQON-GFCCVEGCSA-N 320.397 -0.560 30 20 DBED C#CCNC(=O)CNC1(CNC(=O)Cn2ccnc2C)CC1 1754534067 CVZQLMLTIKTGTE-UHFFFAOYSA-N 303.366 -0.821 30 20 DBED C#CCN(C(=O)C1CC1)C1CCN(CC(=O)NC(=O)NC)CC1 1754633698 GZPWVRJSTBXSQQ-UHFFFAOYSA-N 320.393 -0.222 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCN([C@@H]2CCN(CCCO)C2)CC1 1754663206 OBRWPNJUZWZTEB-JKSUJKDBSA-N 323.437 -0.374 30 20 DBED C=CCNC(=O)CN1C[C@H]2CN(C(=O)c3ncccn3)C[C@H]2C1 1754844261 GDXPQMXYGWEICJ-BETUJISGSA-N 315.377 -0.217 30 20 DBED C#CCNC(=O)CNCCN(CCO)C(=O)c1cncc(C)c1 1754880110 LRLSAJSIQCESNO-UHFFFAOYSA-N 318.377 -0.836 30 20 DBED COCC#CCN[C@H](C)[C@H](C)NC(=O)CS(=O)(=O)C(C)C 1755267305 ALRPVYDVARIWCM-OLZOCXBDSA-N 318.439 -0.058 30 20 DBED C#CCNC(=O)CN1C[C@H]2CC[C@H]1CN2C(=O)[C@@H](CC)OC 1755393143 DFQNLRNIBNDFQP-BFHYXJOUSA-N 307.394 -0.164 30 20 DBED C#CCCN[C@@H]1C[C@@H](C)N(C(=O)CCCN2C(=O)CNC2=O)C1 1755687911 DYDNSBLDCGXHDE-CHWSQXEVSA-N 320.393 -0.079 30 20 DBED COCC#CCNC[C@@H]1CC[C@@H](NC(=O)CNC(=O)OC)C1 1755731075 QXADOCXBAKYVIE-CHWSQXEVSA-N 311.382 -0.133 30 20 DBED C=CCNC(=O)[C@@H](C)NC[C@@H](O)CN(C)C(=O)c1cnccn1 1755771230 IKQRDBHAEFYULN-VXGBXAGGSA-N 321.381 -0.810 30 20 DBED C#CCCNC[C@H](O)CN(C)C(=O)CCn1cnccc1=O 1755791660 NQXFVWKCJZKUSN-ZDUSSCGKSA-N 306.366 -0.934 30 20 DBED C=CCCC(=O)NC1CC(CNC(=O)C[C@@H]2NC(=O)NC2=O)C1 1755930269 JBKMLVJOBWGGJW-ILDUYXDCSA-N 322.365 -0.438 30 20 DBED C=CCCC(=O)N1CC(CCO)(NC(=O)C[C@@H]2COC(=O)C2)C1 1756080005 BHROJRVXLBQVDV-LBPRGKRZSA-N 324.377 -0.015 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)CCCF 1756549584 BGDAFASAEXLXFA-TUAOUCFPSA-N 302.346 -0.080 30 20 DBED C=CCOCCCC(=O)N1C[C@H](O)[C@H](NC(=O)[C@@H](C)C#N)C1 1757206797 YMTRQOAZJZNOHC-XQQFMLRXSA-N 309.366 -0.183 30 20 DBED C=CCN(CC=C)S(=O)(=O)N(CCN(C)C)CC(=O)O 1776177260 MIFZYIBFGBVJCC-UHFFFAOYSA-N 305.400 -0.147 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccn(CC)n1)CCO2 1783049897 ZRAHJBLZHQSTCQ-MRXNPFEDSA-N 316.361 -0.020 30 20 DBED N#CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cccn1 1795868594 DSEARTWUYQFOTM-JJLQDPRZSA-N 317.349 -0.614 30 20 DBED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C)COC1)CCO2 1830037095 VYXLSOUMJFLIAI-MRXNPFEDSA-N 322.361 -0.888 30 20 DBED C[C@@H](CC#N)N(C)C(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1 87298520 YWRAZNYQYVAQKR-VHSXEESVSA-N 313.383 -0.153 30 20 DBED C[C@H](O)C(=O)N1CCN([C@H](C(N)=O)c2ccc(C#N)cc2)CC1 153002137 RRHMXNFITGDHCE-FZMZJTMJSA-N 316.361 -0.390 30 20 DBED N/C(=N/CC(=O)N1CCCC1)N1CCN(c2ncccn2)CC1 262358549 VGLWKWPGEIFBNG-UHFFFAOYSA-N 317.397 -0.464 30 20 DBED CC#CC(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 283097446 GHOUCBFNZRDVJV-UHFFFAOYSA-N 301.350 -0.345 30 20 DBED CC[C@H]1C(=O)NCCN1CCS(=O)(=O)c1ccc(C#N)cn1 290450440 VZNRQCITDMMWIT-LBPRGKRZSA-N 322.390 -0.063 30 20 DBED CN1CCO[C@H](CN/C(O)=N/CCN2CCOCC2(C)C)C1 329133450 YZUYWMJJXIWWOK-CYBMUJFWSA-N 314.430 -0.069 30 20 DBED C[C@H](CS(C)(=O)=O)N(C1CC1)S(=O)(=O)N(C)CCC#N 331775859 RBJSNUFJNSHARH-SNVBAGLBSA-N 323.440 -0.026 30 20 DBED Cc1cccc(=O)n1C[C@](C)(O)C(=O)N1CC(O)(CC#N)C1 332485498 RCZWJESWOAZPNQ-AWEZNQCLSA-N 305.334 -0.605 30 20 DBED N#C[C@H]1CN(S(=O)(=O)NCc2ccc(F)cn2)CCO1 336889538 ILVSKMCWKGVPRT-NSHDSACASA-N 300.315 -0.221 30 20 DBED C=C(C)CN1CCC(NC(=O)C(=O)N2CC[C@H](CO)C2)CC1 343749997 AGDGCUWUGGVJCB-ZDUSSCGKSA-N 309.410 -0.016 30 20 DBED COC(=O)C[C@@]1(NC(=O)CNc2ccc(C#N)cn2)CCOC1 344900309 DQLYYYVRBSFEAZ-HNNXBMFYSA-N 318.333 0.204 30 20 DBED COC(=O)CN(CC#N)C(=O)CNC(=O)Cc1ccccc1 348800970 QXSWGXQZFMSNAO-UHFFFAOYSA-N 303.318 -0.130 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)NCCn1cnc(C#N)n1 352635042 BLKMHJPNHRMSHN-SNVBAGLBSA-N 311.371 -0.534 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CCCCN1S(=O)(=O)N(C)C 356462873 VXUIDXBLMNMQID-WDEREUQCSA-N 302.400 -0.077 30 20 DBED N#CCCN(CCCC(=O)NC(N)=O)CCN1CCOCC1 357922949 XUUJUTOKIYPGLW-UHFFFAOYSA-N 311.386 -0.491 30 20 DBED CN(CCC#N)C(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 363213997 NTQATZQPNIRTNR-GHMZBOCLSA-N 313.379 -0.606 30 20 DBED Cn1c(N2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)c(C#N)c(=O)n(C)c1=O 364992635 MXQKYYVWNUKELU-IQJOONFLSA-N 317.349 -0.954 30 20 DBED CCO[C@@H]1C[C@@H](NC(=O)NCC(=O)NCC#N)[C@@]12CCCO2 376523660 WUKWIOVINZTKQK-GYSYKLTISA-N 310.354 -0.348 30 20 DBED CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)[C@@H](N)CCCC#N 424087524 ICHSZRPJTDGFOI-RYUDHWBXSA-N 316.427 -0.062 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N[C@@H](CN)CC(C)C)nn1 424545528 LOWWHLKFXHHXPN-LLVKDONJSA-N 308.386 -0.430 30 20 DBED N#Cc1ccc(S(=O)(=O)NCCN2CCNC(=O)C2)s1 435429966 WZXJAJVUZYRQBV-UHFFFAOYSA-N 314.392 -0.670 30 20 DBED Cc1cc(C#N)cc(NC(=O)C(=O)N2CCN(CCO)CC2)c1 453699990 QQIHMJAZNZQLRG-UHFFFAOYSA-N 316.361 -0.058 30 20 DBED C#CCNC(=O)CCN(CCOC)[C@H]1CCS(=O)(=O)C1 491647687 YXYRKLYZFUHNBP-LBPRGKRZSA-N 302.396 -0.739 30 20 DBED C#CCN1CCN(C(=O)CN(C)[C@H](C)CN2CCOCC2)CC1 491729978 JBRQSSRMZRQXBV-MRXNPFEDSA-N 322.453 -0.584 30 20 DBED COc1cc(C#N)ccc1NC(=O)C(=O)N1CC[C@@H](C(N)=O)C1 546003516 RFTXOAMFQAQMBP-SNVBAGLBSA-N 316.317 -0.161 30 20 DBED C[C@H](N)[C@@H]1CCCCN1C(=O)C(=O)N1CCN(CCC#N)CC1 601583327 PABOTDMUKLHHFR-KBPBESRZSA-N 321.425 -0.227 30 20 DBED CCCCN(C)CCNC(=O)C(=O)N1CCN(CCC#N)CC1 602241222 HDUGBDDSEIIABO-UHFFFAOYSA-N 323.441 -0.108 30 20 DBED Cn1cc(S(=O)(=O)NCCN2CC[C@@](F)(C#N)C2)cn1 615647744 XOJQMKAMGBOQMD-LLVKDONJSA-N 301.347 -0.364 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2C[C@@H]3CC[C@H](C2)N3)C1=O 633100912 KFQZSUWLAXACMQ-FRRDWIJNSA-N 320.393 -0.806 30 20 DBED C=CCNS(=O)(=O)c1ccccc1N1C[C@@H](CO)[C@@H](O)C1 641629175 WYRYWCHJQGNXIU-AAEUAGOBSA-N 312.391 -0.060 30 20 DBED CC#CC[C@H](CO)NC(=O)C(=O)Nc1cccc(C(N)=O)c1 646955047 JVZZYVVINPBECD-GFCCVEGCSA-N 303.318 -0.386 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@@H](CC)OC[C@@H]2C)C1=O 650480711 HSXAVCBTYRRSKQ-WDEREUQCSA-N 323.349 -0.011 30 20 DBED CC#CC[C@H](CO)NC(=O)N[C@H]1CCN(S(C)(=O)=O)C1 651242330 XJCDQGCZBSRMBO-WDEREUQCSA-N 303.384 -0.906 30 20 DBED C=CCCOCCNC(=O)C(=O)N[C@H](C)[C@@H]1CN(C)CCO1 673595919 XGANCCZJMQGSTQ-OLZOCXBDSA-N 313.398 -0.469 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCC(S(=O)(=O)NC)CC1 732130444 ITWDQEVLEGPMDT-ZDUSSCGKSA-N 313.423 -0.376 30 20 DBED C[C@]1(c2cccc(C#N)c2)NC(=O)N(CC(=O)NC(N)=O)C1=O 750821391 DGEWFYWGQWKMHF-CQSZACIVSA-N 315.289 -0.480 30 20 DBED C[C@H](NS(C)(=O)=O)C(=O)OCC(=O)N(C)C(C)(C)C#N 758478374 SMLKDYUBEFJCKL-QMMMGPOBSA-N 305.356 -0.772 30 20 DBED C#C[C@@H](NS(=O)(=O)CCNS(=O)(=O)CC)[C@@H]1CCCO1 773051738 DZJNXLKFKVSQKY-MNOVXSKESA-N 324.424 -0.974 30 20 DBED N#CCCCOC(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1 786196571 GIOYKDAWPSXREP-UHFFFAOYSA-N 315.307 -0.496 30 20 DBED C#C[C@@H](NC(=O)C(=O)NC1COC(C)(C)OC1)[C@H]1CCCO1 806655017 DGLZFZDMWXLZJB-VXGBXAGGSA-N 310.350 -0.449 30 20 DBED C#CCCCNC(=O)C(=O)N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 806909872 NZRUJMWQCAYFBW-QWRGUYRKSA-N 302.396 -0.204 30 20 DBED CON(C)C(=O)CNS(=O)(=O)c1ccc(C#N)cc1F 817148583 BETLFUDVQCKKKO-UHFFFAOYSA-N 301.299 -0.005 30 20 DBED C#C[C@H](NC(=O)N[C@@H]1CCN(S(C)(=O)=O)C1)[C@@H]1CCCO1 845125708 ZDHFKZCYTWMWRL-WOPDTQHZSA-N 315.395 -0.500 30 20 DBED N#Cc1ccc(F)c(CS(=O)(=O)NCCn2cnnn2)c1 845951038 LQAJSXWFBJJIRJ-UHFFFAOYSA-N 310.314 -0.197 30 20 DBED N#C[C@@H]1CN(CN2C(=O)c3nccnc3C2=O)CCN1C1CC1 872626258 GFCATXUYSLTCEE-LLVKDONJSA-N 312.333 -0.298 30 20 DBED CCn1cc(/C=C\C(=O)c2c(O)n(C)c(=O)n(C)c2=O)cn1 876497941 IVNLFWOOJMWJJL-WAYWQWQTSA-N 304.306 -0.098 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CCN(C(=O)Cc3nc[nH]n3)C2)c[nH]1 936165494 LNNXJXXCPGBPAM-SNVBAGLBSA-N 313.321 -0.422 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](N(C)C(=O)c2cc(=O)n(C)cn2)C1 939408850 CFFAEKDKLLXEHB-WDEREUQCSA-N 317.349 -0.387 30 20 DBED CC#CCN1CCOC2(CCN(C(=O)[C@H]3COC(=O)N3)CC2)C1 949348985 QHJLMOOQLFDWSO-CYBMUJFWSA-N 321.377 -0.189 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H](NC(=O)c2c[nH]c(=O)cn2)C1 951868113 PTNVRNSVIUJRRR-UWVGGRQHSA-N 303.322 -0.350 30 20 DBED C#Cc1ccc(C(=O)N(C)C2CN(C(=O)c3cnn(C)n3)C2)nc1 954912115 BEYIISOYJUFFNK-UHFFFAOYSA-N 324.344 -0.212 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H]1CNC(=O)c1cn(C)c(=O)cn1 956189222 RYUPHHDQEOMPSQ-MNOVXSKESA-N 317.349 -0.339 30 20 DBED C[C@]1(NC(=O)[C@H]2COC(=O)N2)CCN(C(=O)C#CC2CC2)C1 956880611 SNYFZNYXJKPUQJ-ABAIWWIYSA-N 305.334 -0.385 30 20 DBED N#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cc3n(n2)CCCO3)C1 958252689 CEUZLCRTZMFSOT-CMPLNLGQSA-N 305.338 -0.788 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)Cn1cccn1 960021402 CCVIVBCIHIFYFM-FRRDWIJNSA-N 317.349 -0.519 30 20 DBED N#Cc1ccc(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@@H]3CC3(F)F)C2)[nH]1 962751089 MZQWDXBJDBCMCE-GDPRMGEGSA-N 324.287 -0.157 30 20 DBED CCCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)cn1 963179880 YUACFDPCPHGFQB-RTXFEEFZSA-N 319.365 -0.246 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CC2(CC(NCC(N)=O)C2)C1 963962077 YVPCCMOINDEZKS-XJIRZWNVSA-N 318.421 -0.414 30 20 DBED O=C(NC[C@@H]1COCCN1C(=O)C#CC1CC1)c1cnn[nH]1 964250225 XVDBIXCLXXQHTP-LLVKDONJSA-N 303.322 -0.825 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)c2c[nH]nc2C2CC2)C1 970274698 GALBGGSLNUPTSM-AXTRIDKLSA-N 317.349 -0.252 30 20 DBED N#CCN[C@@H]1CCN(C(=O)c2cn(C[C@H]3CCOC3)nn2)C1 970359796 GIUDPZDRTDNOFH-VXGBXAGGSA-N 304.354 -0.358 30 20 DBED CC[C@]1(C(=O)N2CC[C@@]3(CN(CC#N)CCO3)C2)CCNC1=O 972420755 BRPBMNSBQYCNCT-CVEARBPZSA-N 320.393 -0.270 30 20 DBED CN(C[C@@H]1CCN1C(=O)c1ccc(C#N)[nH]1)C(=O)c1cnn[nH]1 977972459 UMTVQJSMBNULAW-JTQLQIEISA-N 313.321 -0.009 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]1CN(C)C(=O)c1cn(C)c(O)n1 978316850 INZMAINKNYOWNC-VHSXEESVSA-N 305.338 -0.042 30 20 DBED C#CCN1C[C@H]2C(CNC(=O)c3cnc4c(c3)nnn4C)[C@@H]2C1 978489508 FGQPQZBVSRAAOD-STQMWFEESA-N 310.361 -0.096 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@@H](CNC(=O)c3nc[nH]n3)C2)c1 982608207 WEVOOXKOBRRBQI-VIFPVBQESA-N 313.321 -0.103 30 20 DBED C[C@@H]1[C@@H](NCC#N)CCN1C(=O)c1cnn2c(=O)cc[nH]c12 987136964 MGFIBOAZZJKRQU-KOLCDFICSA-N 300.322 -0.261 30 20 DBED N#CCN1CC[C@@]2(NC(=O)CN3C(=O)CCC3=O)CCC[C@H]12 992464130 KNWWLAHRHSHLRM-NHYWBVRUSA-N 304.350 -0.228 30 20 DBED N#CCN[C@@H]1CCC[C@@H]2CN(C(=O)CCn3cnnn3)C[C@H]21 992875196 MNPUWZJRCLNWJV-JHJVBQTASA-N 303.370 -0.197 30 20 DBED CC(=O)N1CC(N2C[C@H](NC(=O)c3cc(C#N)c[nH]3)CC2=O)C1 995478518 KXRIVBWGVIOQPF-LLVKDONJSA-N 315.333 -0.552 30 20 DBED C=CCn1cc(C(=O)N2CC(NC(=O)c3cnon3)C2)nn1 998237934 BONLTLTTZNQPNY-UHFFFAOYSA-N 303.282 -0.899 30 20 DBED N#CCN[C@@H]1CCCN(C(=O)Cc2ccc(C(N)=O)nc2)C1 999492599 IAXSIDBWWKEQPT-GFCCVEGCSA-N 301.350 -0.173 30 20 DBED COC(=O)[C@H]1C[C@@H]1C(=O)NCC1CN(C(=O)C#CC2CC2)C1 1001167021 CUKZQHUAKKAMKE-STQMWFEESA-N 304.346 -0.217 30 20 DBED C[C@H](C#N)C(=O)N1CC([C@@H](C)NC(=O)c2cnn(C)c2N)C1 1005953940 PZCWRZVSLTVFBJ-RKDXNWHRSA-N 304.354 -0.261 30 20 DBED C=CC(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)C(N)=O)C2)C1 1007715262 PCURPUOSLQPBSV-HNNXBMFYSA-N 309.366 -0.486 30 20 DBED C=CCN1CC[C@H](N2CCC[C@H](NC(=O)c3cnn[nH]3)C2)C1=O 1007757576 ASYKSHKVACRQNT-AAEUAGOBSA-N 318.381 -0.214 30 20 DBED CC(=O)N1CC(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)CC2(C)C)C1 1008095315 NUXKHJXSTBKZOF-GXFFZTMASA-N 320.393 -0.022 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](CNC(=O)c3cnc(O)n3C)[C@H]2C1 1009333763 FTCOWZMTBAJMDU-XWLWVQCSSA-N 317.349 -0.280 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CCN([C@H]3CCC(=O)NC3=O)C2)c[nH]1 1010687571 GMQUKZVADJYKPX-PWSUYJOCSA-N 315.333 -0.504 30 20 DBED CCN1CCO[C@@H](C(=O)N2CCN(C(=O)[C@H](C)C#N)CC2)C1 1011217226 NNKWUXJSJMYMRU-CHWSQXEVSA-N 308.382 -0.462 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2ccc(=O)n(CCOC)n2)C1 1015175817 IMLPAYCRUWUZCL-CYBMUJFWSA-N 318.377 -0.283 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2CC[C@@H](NC(=O)C(N)=O)C2)cn1 1015551975 NLRJKQSENPBVIF-ZWNOBZJWSA-N 314.345 -0.437 30 20 DBED C#CCN1CCC2(CC1)C[C@H]2NC(=O)[C@@H]1CCS(=O)(=O)N1 1016979059 MXJAPQPGPJMKNC-NWDGAFQWSA-N 311.407 -0.718 30 20 DBED C=CCN1CCC2(CC1)C[C@@H]2NC(=O)c1cn(CC(N)=O)nn1 1016984612 GCJFHKAWGWOKES-LBPRGKRZSA-N 318.381 -0.466 30 20 DBED N#CCN[C@@H]1CC[C@@H]2CN(C(=O)CC3CS(=O)(=O)C3)C[C@@H]21 1026298470 QFGJPDNULMHIHA-FRRDWIJNSA-N 311.407 -0.229 30 20 DBED Cn1nnc(CNC[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)n1 1026759398 GSFPBZVNMXQBKB-SNVBAGLBSA-N 314.353 -0.338 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2CCN1C(=O)CCC1=O 1029243304 YGPZZWUEABESNX-UPJWGTAASA-N 318.377 -0.030 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)c3cnsn3)C2)C1=O 1030134708 OMFSKQOESBGUCS-NSHDSACASA-N 307.379 -0.261 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)c3cnn(CC)n3)C2)C1=O 1030280728 GUSIPFAKBGBQLU-ZDUSSCGKSA-N 318.381 -0.501 30 20 DBED C=C(C)CN1CC(CNC(=O)[C@H]2CCN(C)S2(=O)=O)C1 1032045152 OYSYACKADPZDAZ-GFCCVEGCSA-N 301.412 -0.356 30 20 DBED C#CCCN1CC[C@H](N(C)C(=O)c2cn(C)c(=O)n(C)c2=O)C1 1033473214 LWOFFTYUPAAFOK-LBPRGKRZSA-N 318.377 -0.746 30 20 DBED N#CCN1CCC2(CCN(C(=O)c3nnc(O)nc3O)CC2)C1 1035204063 YFWLXLGYFVARQS-UHFFFAOYSA-N 318.337 -0.266 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)c2cnc3[nH]c(O)nc3c2)C1 1035419533 QHSREMNEUIXOOB-NSHDSACASA-N 315.333 -0.273 30 20 DBED C#CCN[C@H]1CCN(C(=O)CN2C(=O)CN(C)C2=O)C[C@@H]1CC 1037982719 BVCUTTNXTDRUOG-STQMWFEESA-N 320.393 -0.270 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@]1(O)CCN(C(=O)CSC)C1 1039576138 MBPAAVLNBOGALB-KBPBESRZSA-N 316.423 -0.244 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)CCc2cn[nH]c2)C1 1039829508 ZJJCIIBHTMYUNW-NHYWBVRUSA-N 319.365 -0.418 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCCO3)C2)cn1 1040925636 OHIXAYOIPYIKFD-MCIONIFRSA-N 302.334 -0.202 30 20 DBED Cc1cc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCOC3)C2)c(C#N)cn1 1040939016 IZPYTUVGDMEDJF-UXIGCNINSA-N 316.361 -0.036 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)C2CCOCC2)C1 1041126581 HADLLZDFLOIKEY-UHFFFAOYSA-N 324.377 -0.858 30 20 DBED Cc1ncc(C(=O)NCC2(O)CN(C(=O)[C@@H](C)C#N)C2)s1 1041897562 KMCUADXSCDVZPO-QMMMGPOBSA-N 308.363 -0.086 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)Cc2cnn(C)c2)C1 1041948736 UXWJRJGBMJJXOJ-UHFFFAOYSA-N 306.366 -0.382 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)c2cnn(C)c2C)C1 1042035474 NKTCPQJHTCMETA-UHFFFAOYSA-N 322.365 -0.766 30 20 DBED CSCCC(=O)N1CC(O)(CNC(=O)c2c[nH]c(C#N)c2)C1 1042666685 IJVRSIARPKGFBS-UHFFFAOYSA-N 322.390 -0.057 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(O)CN(C(=O)CCOC)C1 1042806080 BSTQWOHMUGPKSM-ZDUSSCGKSA-N 300.355 -0.961 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)CCn2ccnn2)C1 1042936365 FIGNPYOOPAVRQU-UHFFFAOYSA-N 319.365 -0.983 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)c2cc(C)no2)C1 1043032853 KELATXYZGCVYMU-UHFFFAOYSA-N 321.333 -0.674 30 20 DBED C=CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)c2cccnc2)C1 1043568416 MJNXSIITCPRION-GFCCVEGCSA-N 319.361 -0.024 30 20 DBED N#Cc1cnc(N2C[C@H](O)[C@H](NC(=O)c3cncs3)C2)cn1 1043871390 AFMUNBBXLMXDSB-ZJUUUORDSA-N 316.346 -0.216 30 20 DBED C#CCN[C@H]1CCN(C(=O)CN2CC(=O)N(C)C2=O)[C@H](C)C1 1044816105 JBWBGZICMMJCLF-NEPJUHHUSA-N 306.366 -0.517 30 20 DBED C[C@H](C#N)C(=O)N1CCN([C@@H]2CCN(CC(=O)N(C)C)C2)CC1 1046011724 GJJSKPFRWHWNBI-ZIAGYGMSSA-N 321.425 -0.547 30 20 DBED N#CCN1CC[C@H](N2CCN(C(=O)Cc3nc[nH]n3)CC2)C1 1046076532 DWYGAEDCKKGTIC-LBPRGKRZSA-N 303.370 -0.911 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2COCCN2CC)C1 1047433753 KNGLERSJVMHTFH-ZNMIVQPWSA-N 309.410 -0.766 30 20 DBED C=CCOCC(=O)N(C)[C@H]1CN(C(=O)COCCC)C[C@@H]1O 1048554728 DXLWHSNACPWYFB-STQMWFEESA-N 314.382 -0.354 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H]2CN(Cc3nnn(C)n3)C[C@H]21 1049998608 JCSTZAFWXCLSKB-SDDRHHMPSA-N 303.370 -0.207 30 20 DBED C#CCCCC(=O)N1C[C@@H](C)[C@@H](CNC(=O)c2nnn(C)n2)C1 1052482997 JSVCTRHLCVHFKA-NEPJUHHUSA-N 318.381 -0.162 30 20 DBED C#CCN1CC2(CC[C@H](CNC(=O)c3cc(C(N)=O)c[nH]3)O2)C1 1053679321 ANLKFVNGZVUULI-GFCCVEGCSA-N 316.361 -0.290 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)C3CS(=O)(=O)C3)CO2)C1 1053813915 CCYNQISCVFTVDD-LBPRGKRZSA-N 312.391 -0.986 30 20 DBED CNC(=O)CC(=O)N1C[C@H]2CN(C(=O)C#CC3CC3)C[C@H]2C1 1055303587 IPCHXSIAKXMTET-BETUJISGSA-N 303.362 -0.547 30 20 DBED Cn1cc(CC(=O)N[C@H]2[C@@H]3CN(c4ccc(C#N)nn4)C[C@@H]32)cn1 1056147206 MDTPMZSHPJIDRN-VIKVFOODSA-N 323.360 -0.125 30 20 DBED CN(c1ccc(C#N)nn1)[C@H]1CCN(C(=O)c2cnn(C)n2)C1 1056938190 CRGOVQCEADRFNO-NSHDSACASA-N 312.337 -0.172 30 20 DBED C=CCOCCCC(=O)N(CCO)CCNC(=O)c1cc[nH]n1 1057267103 RLSKIFZNXPUHEC-UHFFFAOYSA-N 324.381 -0.057 30 20 DBED C=CCOCCCC(=O)N(CCO)CCNC(=O)COCC 1057267163 UQLIHQMYVFIVPE-UHFFFAOYSA-N 316.398 -0.057 30 20 DBED N#Cc1cncc(N2CC[C@@H](NC(=O)C[C@@H]3COC(=O)C3)C2)n1 1058325788 GBAWWNRFOUVBLN-WDEREUQCSA-N 315.333 -0.004 30 20 DBED C=C[C@H](C)[C@@H](C)C(=O)N(CCO)CCNC(=O)c1cnn(C)n1 1058434987 BRRMQTPDKIRQCN-NWDGAFQWSA-N 323.397 -0.176 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)Cc1nonc1C 1058688355 QBWCONXVDQBVNV-UHFFFAOYSA-N 322.365 -0.339 30 20 DBED C=C[C@@](C)(CC)C(=O)N(CCO)CCNC(=O)CNC(C)=O 1058728399 SLDWMUSCAOYWPD-HNNXBMFYSA-N 313.398 -0.338 30 20 DBED Cc1cc(=N[C@H]2C[C@@H](NC(=O)Cn3ncnn3)C2)c(C#N)c[nH]1 1059726297 VDOIDQHLBUROFJ-TXEJJXNPSA-N 312.337 -0.571 30 20 DBED CN1CC[C@@H](C(=O)N[C@H]2C[C@@H](Nc3cncc(C#N)n3)C2)C1=O 1059786644 ZLHYFINDGYZALV-UMNHJUIQSA-N 314.349 -0.114 30 20 DBED N#Cc1cnc(N2CCC[C@H]2CNC(=O)[C@H]2COCCO2)cn1 1061298127 KFGVRXPHONKADD-QWHCGFSZSA-N 317.349 -0.151 30 20 DBED Cn1nncc1C(=O)NC[C@H]1CCCN1c1ccnc(C#N)n1 1061353566 LNNRQNVRDVLUKJ-SNVBAGLBSA-N 312.337 -0.124 30 20 DBED N#Cc1nccnc1N1CC[C@@H](CNC(=O)c2nccnc2N)C1 1061551861 WFIZCLBRDUUCCL-JTQLQIEISA-N 324.348 -0.023 30 20 DBED C=CCCOCC(=O)N1CCOC[C@H]1CNC(=O)c1ncc[nH]1 1061558733 UJLVDONALBRPEP-GFCCVEGCSA-N 322.365 -0.040 30 20 DBED C#CCO[C@@H](C)C(=O)NC1(CNC(=O)[C@@H]2CCC(=O)N2)CCC1 1063837570 ZTKWIZVRSVHZNX-RYUDHWBXSA-N 321.377 -0.542 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CN(C(=O)c2cnn(C)c2)CCO1 1064842499 FRGJEKIHYXZVRR-ZYHUDNBSSA-N 305.338 -0.463 30 20 DBED C#CCNC(=O)CC(=O)N1CCO[C@H](CNC(=O)[C@H](C)CC)C1 1065064173 USQCWYRKHSNPPG-CHWSQXEVSA-N 323.393 -0.484 30 20 DBED N#Cc1cnc(N2CCOC[C@@H]2CNC(=O)c2nc[nH]n2)cn1 1066496215 YNEMTUXRBOTYNC-JTQLQIEISA-N 314.309 -0.898 30 20 DBED CN(CCCN(C)C(=O)[C@@H]1CN(C)C(=O)N1)C(=O)C#CC1CC1 1067380132 FHJWYZIRBSPJEO-ZDUSSCGKSA-N 320.393 -0.270 30 20 DBED COCC(=O)N1CC[C@]2(C1)CN(c1nccnc1C#N)CCO2 1068074980 LQEMIFCSWNACPX-HNNXBMFYSA-N 317.349 -0.198 30 20 DBED N#Cc1nccc(N2C[C@@H]3C(CNC(=O)c4nc[nH]n4)[C@H]3C2)n1 1068181017 VHHDUOBZOMXIIP-NXEZZACHSA-N 310.321 -0.421 30 20 DBED Cc1c[nH]c(C(=O)N2CC3(C[C@H](NC(=O)[C@H](C)C#N)CO3)C2)n1 1069001882 AHIQYOQBQCISJC-KOLCDFICSA-N 317.349 -0.023 30 20 DBED CC(C)C#CC(=O)NC1(CNC(=O)CC(N)=O)CCOCC1 1070108903 VTENRNOIYLEEEY-UHFFFAOYSA-N 309.366 -0.697 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@H]2CCCOC2)C[C@@H]1n1ccnn1 1070155029 PIBIMZDVOFYXQX-MJBXVCDLSA-N 303.366 -0.321 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC[C@@H](NC(=O)CNC(=O)NC)C1 1070731930 QJTHFTDYQMLIAD-NWDGAFQWSA-N 324.381 -0.939 30 20 DBED N#CCN1C[C@H]2C[C@@H]3CN(C(=O)Cc4nc[nH]n4)C[C@@]3(C1)O2 1070879246 OLYUPGNKEJZSMZ-JTNHKYCSSA-N 302.338 -0.828 30 20 DBED CN1CCC[C@@H]1C(=O)N1CCC(=O)NCCN(CC#N)CC1 1070946102 RYHOVWZROPLSRB-CYBMUJFWSA-N 307.398 -0.745 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)c2cccnn2)CC1 1071009283 IWUCURACXDYNPT-UHFFFAOYSA-N 301.350 -0.626 30 20 DBED C[C@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1NC(=O)CSCC#N 1072389661 GHOOJVJDERRXCZ-GXSJLCMTSA-N 322.394 -0.351 30 20 DBED C#CCN1CCC2(C1)CN(C(=O)[C@@H](Cn1cccn1)N(C)C)C2 1072813535 VMRFOFSEMFCQFO-OAHLLOKOSA-N 315.421 -0.019 30 20 DBED C#CCCCCC(=O)N1CC(N2CCN(C(=O)C(N)=O)CC2)C1 1073596218 KCQFAQVOUHHKDZ-UHFFFAOYSA-N 320.393 -0.980 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)CCn3cncn3)C[C@H]21 1074170022 HNBUHWQGNHZCDE-KGLIPLIRSA-N 303.366 -0.397 30 20 DBED N#CCN1CCO[C@@H]2CCN(C(=O)c3coc(C(N)=O)c3)C[C@H]21 1074302597 SYZMPDIUDQTYGZ-VXGBXAGGSA-N 318.333 -0.183 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CCN(C(=O)[C@@H](C)C#N)CC1 1074706384 KHUFXSNDRAUDDO-STQMWFEESA-N 321.377 -0.346 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)Cc2c(C)cc(C)nc2O)C1 1077559096 XUQANVBKNRLFRH-ZIAGYGMSSA-N 303.362 -0.259 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3cnc(C)n3C2)C1 1077585313 YTEGRMKOIWLSLT-NUEKZKHPSA-N 316.405 -0.061 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2CN([C@@H](C)COC)C[C@H]2O)c1 1077649910 KFGKCUCVOBVCTF-NILFDRSVSA-N 303.362 -0.127 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(Cc2cnn(C)n2)C[C@H]1O 1077694449 SPPYFTRNWZJLGH-SYQHCUMBSA-N 321.381 -0.933 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCCN2C(N)=O)C1 1077981381 LBAWQMWFFQBUDD-JHJVBQTASA-N 310.398 -0.343 30 20 DBED C#CCN[C@H]1C[C@H]2CC[C@H]1N(C(=O)Cn1nc(C)n(C)c1=O)C2 1079097710 DRMROCFZBCNROA-HZSPNIEDSA-N 317.393 -0.507 30 20 DBED C#CCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1079775060 RMOBFHRSNPITTA-SPWCGHHHSA-N 320.389 -0.024 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)c2cnon2)C1 1080334330 YOSAPPZBHFYLRX-JTQLQIEISA-N 306.322 -0.219 30 20 DBED C[C@@H](C#N)C(=O)NC1(CO)CCN(C(=O)c2ncccn2)CC1 1080981661 JRIWJTLZJFBINJ-NSHDSACASA-N 317.349 -0.280 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2nonc2C)C[C@H]1O 1081340485 CWAJQXKJKKXLIW-WDEREUQCSA-N 324.337 -0.870 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)CCOCC)C[C@@H]1O 1081346317 GTXHNFJWXKWYBR-STQMWFEESA-N 314.382 -0.449 30 20 DBED CC#CCCCC(=O)N1C[C@H](CNC(=O)c2nc[nH]n2)[C@@H](O)C1 1081658662 XVFQQNBCQKZWBN-RYUDHWBXSA-N 319.365 -0.453 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2cccnn2)C1 1081687487 GSTBJGPTSMAQOK-DGCLKSJQSA-N 304.350 -0.008 30 20 DBED NC(=O)NCC(=O)N1CCCC[C@H]1CNC(=O)C#CC1CC1 1081869278 ZPOBAYGWXBARFV-LBPRGKRZSA-N 306.366 -0.435 30 20 DBED CC#CCN1C[C@@H](NC(=O)c2cccc(C(N)=O)n2)[C@H](OC)C1 1082389884 NHGZZEGUFOTLFB-ZIAGYGMSSA-N 316.361 -0.367 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)C1 1083504694 LRGRZEHMBMZWSA-XQQFMLRXSA-N 307.394 -0.572 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)c2[nH]c(O)nc2C)C1 1083547704 ZGKPRYUJTSAMPU-BDAKNGLRSA-N 300.746 -0.049 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)c2cn3c(n2)COCC3)C1 1083569436 SYRHDJJSGWQLQX-YPMHNXCESA-N 304.350 -0.789 30 20 DBED C#CCCN1C[C@H]2CC[C@H]1[C@@H]1CN(C(=O)Cn3cnnn3)C[C@@H]21 1087335089 GBBSSVZOAPCZLJ-BARDWOONSA-N 314.393 -0.135 30 20 DBED N#CCN1C[C@H]2CC[C@H]1[C@H]1CN(C(=O)Cn3cnnc3O)C[C@H]21 1087350538 CPUFSQOWBBQPRU-NDBYEHHHSA-N 316.365 -0.324 30 20 DBED C#CCN1C[C@H]2CC[C@H]1[C@@H]1CN(C(=O)CCn3cnnn3)C[C@H]21 1087399670 VUVVYNBWQQRRCI-TUVASFSCSA-N 314.393 -0.135 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)c1nnn(C)n1)N=c1cc[nH]c(C#N)n1 1089452026 WTHDJGDGERLVDS-DTWKUNHWSA-N 315.341 -0.697 30 20 DBED CCN(c1cncc(C#N)n1)[C@H](C)CNC(=O)[C@H](C)NC(N)=O 1089631926 VKXGALVFAAVAFU-ZJUUUORDSA-N 319.369 -0.264 30 20 DBED CCN(c1ccc(C#N)nn1)[C@H](C)CNC(=O)CCNC(N)=O 1089650552 KAMYYKXUUXDQPC-SNVBAGLBSA-N 319.369 -0.262 30 20 DBED C#CCN1C[C@@H]2[C@@H]3CC[C@@H](CN3C(=O)Cn3cnnn3)[C@H]2C1 1089769323 KPYZKCRBRSWOBY-CRWXNKLISA-N 300.366 -0.525 30 20 DBED CCc1nc(C#N)cc(N2C[C@@H](O)[C@H](NC(=O)CCOC)C2)n1 1090360856 MWNRGUOGSHHWEW-VXGBXAGGSA-N 319.365 -0.387 30 20 DBED COCCn1ccc(C(=O)N[C@@H]2CCN(CC#N)C[C@H]2O)n1 1090424095 WGWRXNQYVAZYRQ-DGCLKSJQSA-N 307.354 -0.782 30 20 DBED COCc1ncc(C(=O)N[C@@H]2CCN(CC#N)C[C@H]2O)s1 1090842375 ZEJVJIQHJJNLGS-NXEZZACHSA-N 310.379 -0.022 30 20 DBED CC(=O)N[C@@H](C)C(=O)NC[C@H]1C[C@H](N=c2cc[nH]c(C#N)n2)C1 1091416833 QRULFYHZAPJUPZ-DLOVCJGASA-N 316.365 -0.399 30 20 DBED CNC(=O)CC(=O)NCC1CC(Nc2nccnc2C#N)C1 1092213814 BQXXBGFZIMOHQJ-UHFFFAOYSA-N 302.338 -0.209 30 20 DBED CC(=O)N(C)CC(=O)N[C@H]1[C@@H]2CN(c3cncc(C#N)n3)C[C@@H]21 1093217290 JFWKJZABWRTZCK-JYAVWHMHSA-N 314.349 -0.623 30 20 DBED C[C@H](NC(N)=O)C(=O)NC1[C@@H]2CN(c3ccc(C#N)nc3)C[C@@H]12 1093255814 DLPAZRPQYYCHLT-XXILOJSOSA-N 314.349 -0.439 30 20 DBED O=C(C#CC1CC1)N[C@H]1[C@@H]2CN(c3nccn4nnnc34)C[C@@H]21 1093263738 PXBAEJGUESOAJV-PJXYFTJBSA-N 309.333 -0.517 30 20 DBED N#Cc1cncc(NCCNC(=O)CC2CS(=O)(=O)C2)n1 1093963677 SRFXUVKHRJSHRB-UHFFFAOYSA-N 309.351 -0.689 30 20 DBED COCC(=O)NCCC(=O)NCCNc1ncc(C#N)cc1F 1094197069 RUQRLIJTRUWWOX-UHFFFAOYSA-N 323.328 -0.227 30 20 DBED N#Cc1ccc(NCCNC(=O)c2nnc(O)nc2O)cn1 1094253237 HJVCONKVGZQGGQ-UHFFFAOYSA-N 301.266 -0.609 30 20 DBED CN(C)CCOCC(=O)NCCCN(C)c1cnc(C#N)cn1 1095594713 NASFQPCPVIOBQM-UHFFFAOYSA-N 320.397 -0.131 30 20 DBED CNC(=O)NCC(=O)N1CC[C@H](Nc2ncccc2C#N)C1 1096980050 QQLCHFZKJLZUFJ-NSHDSACASA-N 302.338 -0.105 30 20 DBED CC[C@@H](C)C(=O)NCC(=O)NC[C@@H](C)N=c1cc[nH]c(C#N)n1 1097863662 NYFOFBKVUGMCDN-GHMZBOCLSA-N 318.381 -0.151 30 20 DBED C#CCN(CCO)C1CCN(C(=O)C[C@H]2CCC(=O)N2C)CC1 1098446389 WSALABLJLYULEG-OAHLLOKOSA-N 321.421 -0.084 30 20 DBED C#CCN1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(N)=O)CC1 1098462576 BCZKQQQMIBQAOR-KFWWJZLASA-N 318.421 -0.462 30 20 DBED C=CCNCc1cn([C@@H]2CCN(C(=O)c3cnn[nH]3)C2)nn1 1098688459 PPOPPRPAIYUWCK-LLVKDONJSA-N 302.342 -0.241 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)c2[nH]ccc2C)[C@H](O)C1 1099799088 IGIOYAKCFFSOIY-QWHCGFSZSA-N 318.377 -0.762 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)C#CC(C)(C)C)[C@H](O)C1 1099829591 GEOWDXTXJVHLCW-ZIAGYGMSSA-N 319.405 -0.663 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCN(Cc2nonc2C)C[C@@H]1O 1099832994 PUJAHNBAKDGGAB-OCCSQVGLSA-N 322.365 -0.531 30 20 DBED N#Cc1nccc(N2CC[C@@H](CNC(=O)Cn3nccn3)C2)n1 1101018830 AZSGQVJHJITGEN-NSHDSACASA-N 312.337 -0.418 30 20 DBED N#Cc1cnc(N(CCNC(=O)[C@H]2C[C@H]2C(N)=O)C2CC2)cn1 1101447142 BTOIXMFBTFAPEV-NEPJUHHUSA-N 314.349 -0.445 30 20 DBED CN(CCNc1cnc(C#N)cn1)C(=O)c1cc(=O)n(C)o1 1101562862 COCQPPGTBIHJJE-UHFFFAOYSA-N 302.294 -0.176 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1CNC(=O)c1ccnn1C 1101790489 MGMVVJXSTFYYBO-VXGBXAGGSA-N 318.381 -0.642 30 20 DBED COc1nccc(C(=O)N(C)CCN=c2cc[nH]c(C#N)n2)n1 1102052387 MZIFXHUDUSQULN-UHFFFAOYSA-N 313.321 -0.247 30 20 DBED CC[C@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)Nc1cncc(C#N)n1 1103305860 OWAIQKSIUFQHAV-IEBDPFPHSA-N 302.338 -0.224 30 20 DBED CC(=O)N1CC(C(=O)N(C)[C@H](C)CN=c2cc[nH]c(C#N)n2)C1 1104538689 VNYSSDTYWLDZQO-SNVBAGLBSA-N 316.365 -0.493 30 20 DBED C#CCNCc1cn(C2CN(C(=O)[C@H]3CCCCN3C)C2)nn1 1105271043 VELAIIBBIQQSEO-OAHLLOKOSA-N 316.409 -0.132 30 20 DBED CN(CCN(C)c1ccc(C#N)nn1)C(=O)CCn1cncn1 1105328889 CGCIKSAWHQFIHD-UHFFFAOYSA-N 314.353 -0.075 30 20 DBED C#CCNC(=O)CC(=O)N(C)CCN(C)c1nccnc1C#N 1105369146 QOVLCKZLUBCVQW-UHFFFAOYSA-N 314.349 -0.618 30 20 DBED CN(CCN(C)c1cnc(C#N)cn1)C(=O)[C@@H]1CCC(=O)N1 1105440170 HZLSICMBARRTHN-NSHDSACASA-N 302.338 -0.479 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNc1nc(O)c2cnn(C)c2n1 1105774930 XLFZXPCRVARDHP-HTQZYQBOSA-N 319.325 -0.882 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C)C2)C[C@H]1C 1106201081 TXCUXWGQZUNOSQ-RBSFLKMASA-N 321.421 -0.201 30 20 DBED C[C@@H](CCNc1cncc(C#N)n1)NC(=O)[C@H](C)NC(N)=O 1106298583 WEMKNLXFFXILLY-IUCAKERBSA-N 305.342 -0.288 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C[C@H]1C 1106554234 FRRTXTDLOMYFMN-FAHYXWLWSA-N 319.405 -0.688 30 20 DBED CCN(CCNc1ccc(C#N)nn1)C(=O)CNC(=O)OC 1106684361 SGAVTYNNELFTGR-UHFFFAOYSA-N 306.326 -0.035 30 20 DBED CS(=O)(=O)CC(=O)NC/C=C\CNc1cnc(C#N)cn1 1107105881 SRBRQUAZCTVQPG-IHWYPQMZSA-N 309.351 -0.523 30 20 DBED C#CCN1CC(n2cc(CNC(=O)CCCC(=O)NC)nn2)C1 1107161936 DZWCTCFKFSIVBE-UHFFFAOYSA-N 318.381 -0.700 30 20 DBED N#Cc1cncc(NC/C=C/CNC(=O)[C@@H]2CCC(=O)NC2)n1 1107592393 DESARLJLMHMUQN-FMBMQGQPSA-N 314.349 -0.041 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](C)NC(=O)CN2CCOCC2)n1 1107710958 MULRWLHPOQQUTJ-GFCCVEGCSA-N 318.381 -0.095 30 20 DBED C[C@@]1(CNC(=O)c2cc[nH]c2)CN(CC(=O)NCC#N)CCO1 1107960697 MGXCOCZHWYAMRK-OAHLLOKOSA-N 319.365 -0.525 30 20 DBED C=CCCN1CC(N2C[C@H](NC(=O)[C@H](C)NC(N)=O)CC2=O)C1 1108536414 FJHGPLSHHFYFMJ-WDEREUQCSA-N 323.397 -0.979 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)CC3(O)CCC3)CC2=O)C1 1108545173 PXCHOTZLQBPKIK-LBPRGKRZSA-N 307.394 -0.121 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)[C@@H](C)OCCOC)CC2=O)C1 1108580391 LWVNPDCDRFFKBF-CHWSQXEVSA-N 323.393 -0.928 30 20 DBED C[C@@H](CNc1nccnc1C#N)NC(=O)[C@@H]1CCC(=O)N1C 1108642115 OOBRINWRCATQHA-ONGXEEELSA-N 302.338 -0.114 30 20 DBED C[C@@H](CN(C)c1ccc(C#N)nc1)NC(=O)[C@@H]1CN(C)C(=O)N1 1109193178 BTELWAVIXLRNEE-GWCFXTLKSA-N 316.365 -0.082 30 20 DBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCN(C)C 1109669022 KYQAJEFPKMTWDR-RDBSUJKOSA-N 308.426 -0.038 30 20 DBED N#Cc1cnc(NC2(CNC(=O)[C@@H]3CNC(=O)N3)CC2)cn1 1110324411 NDOREMBKHHVXFP-VIFPVBQESA-N 301.310 -0.910 30 20 DBED CC1(CNC(=O)CC(N)=O)CCN(c2nccnc2C#N)CC1 1110869466 XVBHDCPKYQZHKY-UHFFFAOYSA-N 316.365 -0.054 30 20 DBED CC(=O)NCC(=O)NC[C@@]1(O)CCN(c2ccc(C#N)cn2)C1 1111037491 CUMRUFNROFJDKJ-HNNXBMFYSA-N 317.349 -0.853 30 20 DBED CO[C@H](C)CC(=O)NC[C@@]1(O)CCN(c2nccnc2C#N)C1 1111046011 VEAYDZGIQVLHQR-ABAIWWIYSA-N 319.365 -0.169 30 20 DBED CNC(=O)CC(=O)N(C)[C@H]1CN(c2ncccc2C#N)C[C@@H]1O 1111179967 GTTMHKSQXKFAOP-RYUDHWBXSA-N 317.349 -0.903 30 20 DBED N#Cc1cncc(NCCN(CCO)C(=O)[C@@H]2CCOC2)n1 1111445861 QYPHBFBCSXHSOO-LLVKDONJSA-N 305.338 -0.382 30 20 DBED N#Cc1ccc(N2CCC[C@H](NC(=O)CC(N)=O)CC2)nn1 1111977986 QBJZMCSVZDYOQK-JTQLQIEISA-N 302.338 -0.301 30 20 DBED O=C(CN1CCN(C(=O)C#CC2CC2)CC1)NC(=O)NC1CC1 1112824787 FFLKIUMVXFSDTL-UHFFFAOYSA-N 318.377 -0.468 30 20 DBED CCNC(=O)CC(=O)NC[C@H](C)N(C)c1cnc(C#N)cn1 1113567383 QVZIWADVFRMPBH-JTQLQIEISA-N 304.354 -0.185 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)[C@H]2CCN(C)C2)CC1 1113631776 KTNPPOTXTNWILB-KGLIPLIRSA-N 308.426 -0.227 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)c3ccnn3C)[C@H]2C1 1113990241 LUYZCBMQAYHILI-NMKXLXIOSA-N 315.377 -0.782 30 20 DBED COCCCNC(=O)CN1C[C@H]2C(NC(=O)[C@H](C)C#N)[C@@H]2C1 1114067890 YCIAFMNDUXTWJI-IJLUTSLNSA-N 308.382 -0.655 30 20 DBED COC[C@@H](O)CN1C[C@H]2C(NC(=O)c3ccc(C#N)[nH]3)[C@@H]2C1 1114145745 VWUXHRLQNVRBFK-QJPTWQEYSA-N 304.350 -0.446 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@@H]2CN(Cc3csnn3)C[C@@H]12 1114157305 BXGMJZKRDHHLGG-GHMZBOCLSA-N 319.390 -0.776 30 20 DBED C=C[C@](C)(O)CC(=O)NC1[C@H]2CN(CCNC(=O)C3CC3)C[C@H]12 1114193539 CAYYEBGQGCNGAM-DCGLDWPTSA-N 321.421 -0.114 30 20 DBED N#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@H](F)C(F)(F)F)[C@H]2C1 1114308253 CQUAEANMZNLTQG-WDQPUEAGSA-N 322.262 -0.427 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)CCc3cnc[nH]3)[C@@H]2C1 1114384686 PYSRWDSCJVAHPG-CHWSQXEVSA-N 317.393 -0.309 30 20 DBED CNC(=O)CC(=O)NC[C@H]1[C@@H]2CN(c3nccnc3C#N)C[C@H]12 1114531065 VURVVJNHTONWSH-RTCCRHLQSA-N 314.349 -0.717 30 20 DBED CC#CCN1C[C@H]2C(NC(=O)CCn3ncn(C)c3=O)[C@@H]2C1 1114618697 JAHSTOHKTINPCB-VXGBXAGGSA-N 303.366 -0.958 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)[C@H](CCC)OCC)[C@@H]2C1 1114719344 FJSUIUZJNSIBNY-MCIONIFRSA-N 321.421 -0.013 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1[C@H]2CN(CC(=O)NCC)C[C@H]12 1114859274 OOZMUICUOZUMSO-VOAKCMCISA-N 307.394 -0.240 30 20 DBED Cc1ccc(C#N)c(N(C)CCOCCNC(=O)C(N)=O)n1 1115250186 INSKJZYIFZXHAT-UHFFFAOYSA-N 305.338 -0.684 30 20 DBED CC(C)[C@H](CNC(=O)C(=O)NCCCC#N)N1CCN(C)CC1 1116991661 JJBWIZWTQMITCN-AWEZNQCLSA-N 323.441 -0.205 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)c2nncn2C)C1=O 1117334977 DADYQNPCJZBUGD-MRVPVSSYSA-N 321.293 -0.604 30 20 DBED C#CCCCCNC(=O)C(=O)N1CC[C@@H](NC(=O)NC2CC2)C1 1117373968 BCYJRGQMCBYILG-CYBMUJFWSA-N 320.393 -0.031 30 20 DBED C#CC1CCN(C(=O)C(=O)N(C)CC(=O)N2CCCC2)CC1 1118537278 LHFCRVXTOZLNFG-UHFFFAOYSA-N 305.378 -0.061 30 20 DBED C=C(C)CONC(=O)C(=O)c1cc(S(N)(=O)=O)cn1C 1118776263 SPQDHBQZEHBIBU-UHFFFAOYSA-N 301.324 -0.521 30 20 DBED C[C@@H](CN(C)C(=O)[C@@H]1CCNC1=O)Nc1cncc(C#N)n1 1120408161 LLKSSDGHENAVMF-GXSJLCMTSA-N 302.338 -0.257 30 20 DBED C[C@H](CN(C)C(=O)[C@H]1CNC(=O)N1)Nc1ccc(C#N)cn1 1120633410 HECOCBOTRXGPQN-MWLCHTKSSA-N 302.338 -0.107 30 20 DBED Cc1cc(CC(=O)NC[C@@H](CO)Nc2cnc(C#N)cn2)n[nH]1 1121288055 OCSZALMQQVNZLF-LBPRGKRZSA-N 315.337 -0.489 30 20 DBED Cn1cnc(C(=O)NC[C@@H](CO)Nc2ccc(C#N)nc2)n1 1121432551 NMMFIONJQKVTQO-NSHDSACASA-N 301.310 -0.715 30 20 DBED Cc1cc(=N[C@@H](CO)CNC(=O)c2n[nH]cc2C)c(C#N)c[nH]1 1121529012 SJGHDWWSRJMAKL-GFCCVEGCSA-N 314.349 -0.082 30 20 DBED C=CCO[C@@H](C)C(=O)NC[C@H](CO)Nc1nccc(OC)n1 1121750034 VWGURLIRZYFITJ-WDEREUQCSA-N 310.354 -0.035 30 20 DBED Cc1cc(=N[C@@H](CO)CNC(=O)c2ncccn2)c(C#N)c[nH]1 1121905866 IHNBOENDVPOANJ-GFCCVEGCSA-N 312.333 -0.324 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](CO)N=c1cc[nH]cc1C#N 1122595197 ZEEVEXMXEGDIIM-NFAWXSAZSA-N 316.361 -0.145 30 20 DBED Cc1ccc(C#N)c(N[C@@H](CO)CNC(=O)CC(=O)N(C)C)n1 1122637720 VOQOIBQPJMDKPO-GFCCVEGCSA-N 319.365 -0.371 30 20 DBED CC(=O)N[C@H](C)C(=O)N(C)C[C@H](O)CNc1ccc(C#N)nn1 1124059464 HVVFTNSMDCEKPB-BXKDBHETSA-N 320.353 -0.896 30 20 DBED CCC(=O)NCC(=O)N(C)C[C@H](O)CNc1nccnc1C#N 1124184366 FXRMMSYSPHINQK-SNVBAGLBSA-N 320.353 -0.894 30 20 DBED C=CCOCC(=O)N(C)C[C@H](O)CNc1ccc(C#N)nn1 1124196032 FVGWOWZHTLVIJZ-GFCCVEGCSA-N 305.338 -0.218 30 20 DBED COC[C@H](C)C(=O)N(C)C[C@@H](O)CN(C)c1nccnc1C#N 1124988148 GOEIUCLCWUMUIC-RYUDHWBXSA-N 321.381 -0.114 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)[C@@H](C)n2cncn2)C1=O 1125918180 LNBLQZJGXIBRNU-NEPJUHHUSA-N 306.370 -0.668 30 20 DBED CNC(=O)NCC(=O)N(C)C1CC(Nc2cncc(C#N)n2)C1 1127088391 FLPMKYOXZXORTE-UHFFFAOYSA-N 317.353 -0.321 30 20 DBED C#CCNCc1nnc2n1CC[C@H](NC(=O)c1cc[nH]n1)CC2 1127944819 XKVPPQFDUGONEX-LLVKDONJSA-N 313.365 -0.141 30 20 DBED C=C(C)CCC(=O)N[C@@H]1CN(CC(=O)NC)C[C@@H]1n1ccnn1 1129025021 DCDFQIOMUIBZRO-OLZOCXBDSA-N 320.397 -0.278 30 20 DBED C#CCC1(C(=O)NCCN[C@H]2CCN(C)C2=O)CCOCC1 1129120777 CFZUMJDAJZIEBV-ZDUSSCGKSA-N 307.394 -0.257 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1ccnc2ccnn12 1129262857 TVTYMFZLEAFDQP-LLVKDONJSA-N 314.349 -0.813 30 20 DBED C#CCCN[C@@H]1CN(C(=O)Cn2ccnc2)C[C@@H]1n1ccnn1 1130151265 LMTGOJWJCGCMGM-KGLIPLIRSA-N 313.365 -0.460 30 20 DBED C[C@@H](C#N)C(=O)NCc1nc([C@H]2CCO[C@H]2CNCCO)n[nH]1 1130203222 UFIPQYJPNPHMHF-DCAQKATOSA-N 322.369 -0.965 30 20 DBED C[C@H](C#N)C(=O)NCc1c[nH]nc1[C@@H]1CCN(CC(N)=O)C1 1130364890 KIMGLGRFYLJNFJ-NXEZZACHSA-N 304.354 -0.540 30 20 DBED N#CCN1C[C@H]2C[C@@H]3CN(C(=O)C(=O)NCC4CC4)C[C@@]3(C1)O2 1131279570 IPJHNBLVSDFSKR-XJKCOSOUSA-N 318.377 -0.662 30 20 DBED C#CCNC(=O)CN1C[C@H](NC(=O)c2csnn2)CC[C@@H]1C 1132206885 OXYSJYHARPWLMN-WDEREUQCSA-N 321.406 -0.130 30 20 DBED C=CCN1C[C@@H](NC(=O)CNS(=O)(=O)NC)CC[C@H]1C 1132210255 FNDBSVHULOFMNJ-MNOVXSKESA-N 304.416 -0.805 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)CC(C)(C)O)CC[C@H]1C 1132782060 INXXGZCLNZOCLK-ZIAGYGMSSA-N 323.437 -0.029 30 20 DBED C=CCNC[C@H]1CN(C(=O)CN2CC(=O)NC2=O)CC[C@@H]1C 1133185597 GAZHSJJSOAEZGE-RYUDHWBXSA-N 308.382 -0.202 30 20 DBED C[C@@H]1CCN(C(=O)c2ccc(=O)n(C)n2)C[C@@H]1CNCC#N 1133292160 BUBYMFIIWIDLKU-NEPJUHHUSA-N 303.366 -0.008 30 20 DBED C=CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)CN(C)C(C)=O 1133740143 BDLHJCAKZDZLIO-RYUDHWBXSA-N 312.414 -0.360 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1ccc2nc(O)[nH]c2c1 1134458630 JFUJFKCXJGGAFG-UHFFFAOYSA-N 317.349 -0.110 30 20 DBED C#CCN[C@H](C)C[C@@H](C)NC(=O)c1cn(CC(=O)N(C)C)nn1 1146584979 VRZHKMFWODHYMW-VXGBXAGGSA-N 320.397 -0.514 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC2(CCN([C@@H]3CCNC3=O)C2)C1 1147445787 JBASGXMQXYSYPW-IUODEOHRSA-N 307.394 -0.264 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(CC(=O)NC(N)=O)CCCO1 1149361234 HIXWDGDKBXTIKV-LLVKDONJSA-N 312.370 -0.645 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)[C@]1(C)CNC(=O)C1 1154448581 UBRXCBBEYUVGSH-WBMJQRKESA-N 322.409 -0.911 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)CNC(=O)CCC)C1=O 1155285309 KJWHFQAXJQJUPR-ZDUSSCGKSA-N 324.425 -0.215 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)[C@@H](C)Cc1cnc[nH]1 1167991037 FVGFNYWOYBWTTC-STQMWFEESA-N 319.409 -0.178 30 20 DBED CC#CCN1CCO[C@H]2CCN(C(=O)C3(C(=O)NC)CC3)C[C@H]21 1177113799 YTOCWHPXYUVGCV-KGLIPLIRSA-N 319.405 -0.162 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)c2cccc(O)n2)C1 1181861410 YJWSPPQAVLUKAS-LLVKDONJSA-N 304.350 -0.107 30 20 DBED C=CCOCCN[C@@H]1CCN(C(=O)CCNS(C)(=O)=O)C1 1183025067 SEDMUKDGWUWUNZ-GFCCVEGCSA-N 319.427 -0.681 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2c(C)n[nH]c2C)C1 1186384363 LMOQJNALQSWXCO-CHWSQXEVSA-N 317.393 -0.031 30 20 DBED C#CCNC[C@H]1CN(C(=O)c2cnn[nH]2)CC12CCOCC2 1186410159 OOPFQOIXZFQCGG-LBPRGKRZSA-N 303.366 -0.104 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC[C@H](N(C)Cc2nc(O)n[nH]2)C1 1189918032 MIZHIQUYOCZQBC-HZMBPMFUSA-N 309.370 -0.130 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)Cc2cnc(C)o2)C1 1190634527 HSOWQLJJUONHLW-ZDUSSCGKSA-N 318.377 -0.192 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2cncnc2O)C1 1190837901 VXHAUNRYXWDWLI-LLVKDONJSA-N 317.349 -0.922 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)CCC2CC2)C1 1191936876 YNYITFBLIVOMDG-MRVWCRGKSA-N 307.394 -0.524 30 20 DBED C=CCCN(C)[C@@H]1CCN(C(=O)CNS(=O)(=O)N(C)C)C1 1192593953 CXLUGOIFPNXLAJ-GFCCVEGCSA-N 318.443 -0.509 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)Cc2ccn(C)n2)C1 1192784902 OFWBVODTIQQNMX-ZIAGYGMSSA-N 308.382 -0.674 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)CNC(=O)c2ccoc2)C1 1193174266 JUUQOLUVOJTGNU-CHWSQXEVSA-N 305.334 -0.806 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2c[nH]nc2CC)C1 1194376091 PINBTXRQYPULQA-CHWSQXEVSA-N 321.381 -0.951 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)CCN2C(=O)CCC2=O)C1 1194523891 MOZRQOSDHPBWRU-CHWSQXEVSA-N 323.393 -0.347 30 20 DBED C#CCN1CCCN(C(=O)C(C)(C)NS(C)(=O)=O)CC1 1197380222 YTNDQEYGYDASHL-UHFFFAOYSA-N 301.412 -0.518 30 20 DBED N#CCNC(=O)CNC1CCN(C(=O)C2=COCCC2)CC1 1199715824 HGLCEDPKWUHPOU-UHFFFAOYSA-N 306.366 -0.099 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(CCn2cncn2)C[C@H]1C 1206964776 AFHODTNCSGLINU-HZSPNIEDSA-N 305.382 -0.247 30 20 DBED CCNC(=O)CCC(=O)N1CCC[C@@H](NCC(=O)NCC#N)C1 1207660204 CEDVTYRNUIYIJF-GFCCVEGCSA-N 323.397 -0.877 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC[C@@H](NCCn2cncn2)C1 1208025052 GCTJTTQTPZFRBZ-UONOGXRCSA-N 305.382 -0.103 30 20 DBED C=C(C)CN1C[C@@H](NC(=O)CNS(=O)(=O)CC)[C@H](OC)C1 1212357224 CCUAPJVGKUJJCP-VXGBXAGGSA-N 319.427 -0.683 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)Cc2nnc(C)o2)C[C@H]1C 1214555521 JQNJCXVAWOEMIY-ZYHUDNBSSA-N 319.365 -0.894 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@H]1C 1214902452 PXFWJOZWUJHMMI-GRYCIOLGSA-N 322.409 -0.928 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@H]2CC=CCC2)C1 1219173834 XDYAFDBRGRNOAU-MJBXVCDLSA-N 307.394 -0.194 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)c2n[nH]cc2C)C1 1219576415 NRWSAGWRNPQMGU-TUAOUCFPSA-N 321.381 -0.816 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(CCOCC)C[C@@H]2O)cn1 1220795535 GBHUZKMZSHXENO-CABCVRRESA-N 303.362 -0.126 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2nnc(CC)o2)C[C@@H]1O 1221143705 NXGVJYMRAHENPN-UTUOFQBUSA-N 324.381 -0.116 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCC[C@@H](NCC(=O)NC(N)=O)C1 1222068488 VHMUSHISRYDQRQ-WDEREUQCSA-N 312.370 -0.647 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(N)=O 1226170452 KFNCEKZGXAGHLK-VXGBXAGGSA-N 324.381 -0.762 30 20 DBED C=CCNC(=O)[C@H](C)N1CCC(NC(=O)CC(=O)N(C)C)CC1 1229516107 DURLCEMNTLEGSL-LBPRGKRZSA-N 324.425 -0.264 30 20 DBED C#CCN1CCS(=O)(=O)[C@@H](CCNC(=O)c2[nH]cnc2C)C1 1230532000 BMVKIYSFJGTDPI-LBPRGKRZSA-N 324.406 -0.430 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)CCn1cccn1 1230806180 GMUGPQJTNKWTBA-AWEZNQCLSA-N 317.393 -0.445 30 20 DBED C#CCNC(=O)CN(C)CCCNC(=O)c1cncnc1C 1234422244 LCNHULSTROYSDT-UHFFFAOYSA-N 303.366 -0.414 30 20 DBED C=CCNC(=O)CN1CC[C@H]1CN(C)C(=O)Cn1nccn1 1234574555 UQQZVYMIVSXCCP-LBPRGKRZSA-N 306.370 -0.887 30 20 DBED Cc1cc(Cn2nnc(C(=O)OCC(=O)NCC#N)c2C)on1 1261225263 SLWYMBOIIHTXOQ-UHFFFAOYSA-N 318.293 -0.272 30 20 DBED C[C@@H](NC(=O)C(=O)Nc1cccc(C#N)n1)[C@@H]1CN(C)CCO1 1261460312 ZBDRJTGRTFLVCC-PWSUYJOCSA-N 317.349 -0.273 30 20 DBED C=CCOCCNC(=O)C(=O)N1CCC(N2CCNC2=O)CC1 1261582465 UICDMNJFILYRAP-UHFFFAOYSA-N 324.381 -0.679 30 20 DBED N#CCNC(=O)CN[C@H]1CCN(C(=O)CCc2ccon2)C1 1317302973 MUMICXDLZFNLLI-LBPRGKRZSA-N 305.338 -0.563 30 20 DBED C=CCS(=O)(=O)CCNC(=O)NCC1(O)CCOCC1 1320416900 IWHWGGJLFKKDLY-UHFFFAOYSA-N 306.384 -0.572 30 20 DBED C=CC1CCN(C(=O)C(=O)NC[C@H](C)S(C)(=O)=O)CC1 1323689269 YFCWOJVZGNCVTQ-JTQLQIEISA-N 302.396 -0.040 30 20 DBED CCOC(=O)Cn1cnc(NC(=O)C(=O)N(C)[C@@H](C)CC#N)n1 1325947265 DALJVIBUBKWYRS-VIFPVBQESA-N 322.325 -0.460 30 20 DBED C=CCNC(=O)N(CC)CC(=O)N[C@@H]1CCS(=O)(=O)C1 1327632697 SZSDPPOXPOHVGS-SNVBAGLBSA-N 303.384 -0.493 30 20 DBED C#CCOCCNC(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 1328068679 DTROZUNFEWBJTN-AWEZNQCLSA-N 323.393 -0.878 30 20 DBED N#CCN1CCC(NC(=O)C(=O)N2CC[C@](O)(C3CC3)C2)CC1 1328685894 YSPUIOUHPFXMQZ-MRXNPFEDSA-N 320.393 -0.536 30 20 DBED C#C[C@H](NC(=O)C(=O)Nc1ccnc(COC)n1)[C@@H]1CCCO1 1330298724 GQTAAJVFVNHLHY-QWRGUYRKSA-N 318.333 -0.142 30 20 DBED C=CCN(CCOC)c1nnnn1C[C@@H]1CCCS1(=O)=O 1334549613 XCYPTEISGNKIKF-NSHDSACASA-N 315.399 -0.111 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N2CCCNCC2)CCN1C1CC1 1335716862 SGHFKWGYBBTPOO-CYBMUJFWSA-N 305.382 -0.993 30 20 DBED C#CCN(C(=O)C(=O)N1CCO[C@H](CNC(C)=O)C1)C(C)C 1336496281 NSZTUGAXGUDHLA-CYBMUJFWSA-N 309.366 -0.780 30 20 DBED C=CCNC(=O)CNC(=O)C(=O)Nc1ccn([C@@H](C)COC)n1 1343072275 YCPGNXKZTJISJY-JTQLQIEISA-N 323.353 -0.553 30 20 DBED C[C@H](CC(C)(C)O)NC(=O)CCn1cc(C#N)c(O)nc1=O 1362594649 YSVSMUHGHDGKLG-SECBINFHSA-N 308.338 -0.124 30 20 DBED C[C@@H]1[C@@H](CO)CCCN1C(=O)Cn1cc(C#N)c(O)nc1=O 1362728748 LYAZKDHQLCQDML-NXEZZACHSA-N 306.322 -0.560 30 20 DBED COCCN(C)S(=O)(=O)N1CCC(C#N)(C(=O)OC)CC1 1363984950 YZBRYTRKWQHBJO-UHFFFAOYSA-N 319.383 -0.412 30 20 DBED C[C@@H]1CN(c2[nH]c(=O)n(C)c(=O)c2C#N)C[C@]2(CCO[C@@H]2C)O1 1364180354 ORJNCCWVUHHWLM-FCHSOHFDSA-N 320.349 -0.282 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](C1CC1)N(C)C(=O)Cn1ncnn1 1370407075 NHOSQBOODVZKOM-KOLCDFICSA-N 305.342 -0.814 30 20 DBED COCCC(C)(C)C(=O)N[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1O 1384034006 XPMIPVMQYYIKEF-IJLUTSLNSA-N 311.382 -0.103 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(CCNC(=O)c2cc[nH]n2)CC1 1385519376 IRVKQSMVMFNZRA-NSHDSACASA-N 304.354 -0.557 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CCN(C(=O)c2cnc3[nH]nnc3c2)C1 1396940674 DMLYPLLPCUJZTD-PSASIEDQSA-N 313.321 -0.157 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](C)CNC(=O)Cn1ccccc1=O 1416475055 SXGOZMXXBSMESN-RYUDHWBXSA-N 304.350 -0.124 30 20 DBED C[C@H](CNC(=O)c1cnnn1C)N(C)C(=O)c1cc(C#N)c[nH]1 1426641589 PFXNQSNVQQUNTN-SECBINFHSA-N 315.337 -0.095 30 20 DBED CN(CCN(C)C(=O)c1cnn[nH]1)C(=O)c1cc(C#N)c[nH]1 1431355569 DHOWOEHOFXBNBP-UHFFFAOYSA-N 301.310 -0.151 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CCCN(C(=O)c2cnn(C)c2N)C1 1453862050 PKAYKQWVVCNDCP-ZJUUUORDSA-N 304.354 -0.117 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(CCNC(=O)c2cocn2)CC1 1453933990 OXVNLUDZYRPFGC-NSHDSACASA-N 305.338 -0.292 30 20 DBED CCN1C[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@H](C)C#N)C2)CC1=O 1454329601 VWOGBMJIVRPJBU-WRWGMCAJSA-N 306.366 -0.222 30 20 DBED N#C[C@@H]1CN(C(=O)c2ccnc3c(C(N)=O)cnn23)CCO1 1464845610 UYFZVPRKBHADQC-MRVPVSSYSA-N 300.278 -0.807 30 20 DBED C[C@@H](CN(C)C(=O)CCS(C)(=O)=O)NC(=O)[C@H](C)C#N 1510649568 XUJIKMCNQSITBP-ZJUUUORDSA-N 303.384 -0.456 30 20 DBED C=C(CO)C(=O)Nc1cnn(-c2ncccc2-c2nn[nH]n2)c1 1588444275 UUJVXGVMWBNQLW-UHFFFAOYSA-N 312.293 -0.066 30 20 DBED C#CCN(CC(=O)O)S(=O)(=O)c1cc(C)c(C(=O)O)o1 1588465969 PEGCQPZKZBFUBV-UHFFFAOYSA-N 301.276 -0.005 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H](O)CNc1ncc(C(=O)O)cn1 1588489770 CKGHGBQVVXOWSL-GXSJLCMTSA-N 322.321 -0.898 30 20 DBED COc1ccc(CNC(=O)NCC#CCO)cc1-c1nn[nH]n1 1591594683 CXRXNIIRQTYADR-UHFFFAOYSA-N 316.321 -0.330 30 20 DBED N#CC[C@@H]1CCCN(C(=O)C(=O)N2CCO[C@H](C(=O)O)C2)C1 1594606214 QNERMJJTRVRUMA-QWRGUYRKSA-N 309.322 -0.549 30 20 DBED COC[C@@](C)(CC(=O)O)NS(=O)(=O)N(C)[C@H](C)CC#N 1599150435 LSMIJHWPZHWHSI-MWLCHTKSSA-N 307.372 -0.065 30 20 DBED N#CC1(NC(=O)CN2CCNC(=O)[C@H]2CC(=O)O)CCCCC1 1601057386 WUZMDJOOGGMOAV-LLVKDONJSA-N 322.365 -0.396 30 20 DBED N#Cc1ccc(C[C@H](C#N)C(=O)NCC(=O)NCC(=O)O)cc1 1601099111 GAUVASRSUNTCIS-GFCCVEGCSA-N 314.301 -0.442 30 20 DBED C[C@@](C#N)(CC(=O)O)C(=O)N1CCN([S@](C)(=N)=O)CC1 1602780531 IJDRGJCHMOXFLT-YBTHPKLGSA-N 302.356 -0.273 30 20 DBED CN(C[C@H]1COCCO1)c1cnc(C#N)c(-c2nn[nH]n2)n1 1604735908 JJWZMTLAGZEJEK-QMMMGPOBSA-N 302.298 -0.620 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@H](C(=O)O)[C@@H]2C)C1=O 1609373943 XANFSBGVAIWGMA-IUCAKERBSA-N 323.305 -0.715 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CCCN(CC(N)=O)C2)cc1O 1647157155 VLEWFFOLNYJNSB-GFCCVEGCSA-N 302.334 -0.057 30 20 DBED Cc1nc(C(=O)NCC2(O)CCS(=O)(=O)CC2)ccc1C#N 1649796702 SGVDZYCKCSEZRN-UHFFFAOYSA-N 323.374 -0.069 30 20 DBED COCC#CCN[C@H]1CCN(C(=O)CCN2C(=O)CCC2=O)C1 1731646498 CBZITMVTBZVHTM-ZDUSSCGKSA-N 321.377 -0.634 30 20 DBED C#CCN1CCN(CCNC(=O)c2cnn(CCF)c2)CC1 1752367508 OVQQOHSIWWAIOB-UHFFFAOYSA-N 307.373 -0.167 30 20 DBED CC#CCN[C@@H](CNC(=O)CCn1cc[nH]c(=O)c1=O)C1CC1 1752491352 RVAWVGULMGBPKF-ZDUSSCGKSA-N 318.377 -0.566 30 20 DBED C[C@H](CNC(=O)CCC1CCOCC1)NCC(=O)NCC#N 1752905940 HIQQGHWCVVZONW-GFCCVEGCSA-N 310.398 -0.073 30 20 DBED C#CCNC(=O)CNC[C@@H]1CCN(C(=O)c2ccns2)C1 1752937586 IJPBENMELKGKMB-NSHDSACASA-N 306.391 -0.056 30 20 DBED C=CCNC(=O)NC(=O)CN[C@H](C)CCNC(=O)c1cnco1 1753011206 RCZCUFHCYTYEFE-SNVBAGLBSA-N 323.353 -0.216 30 20 DBED C=CCNC(=O)[C@H](C)N(C)CCNC(=O)[C@H]1CC(=O)N(C)C1 1753051008 VHFTTZOKABPLLE-RYUDHWBXSA-N 310.398 -0.797 30 20 DBED CC#CCN(CC)CCNC(=O)Cn1nc2ccccn2c1=O 1753086159 GTAPPBCEFZMQKU-UHFFFAOYSA-N 315.377 -0.043 30 20 DBED C#Cc1ccc(C(=O)NCC2CN(CC(=O)NCC)C2)cn1 1753413934 UJYDYFQDPBHNJY-UHFFFAOYSA-N 300.362 -0.139 30 20 DBED CC#CCN1CC[C@H](N(CC)C(=O)CN2CCOCC2=O)C1 1753457368 OQRCSNNJIJZPTD-AWEZNQCLSA-N 307.394 -0.209 30 20 DBED C#CCNC(=O)CN[C@H](CC)CNC(=O)c1cnnn1CC 1753471382 LRGNCOKPYIVRHD-LLVKDONJSA-N 306.370 -0.855 30 20 DBED Cn1nccc1C(=O)N[C@](C)(CNCC(=O)NCC#N)C1CC1 1753515285 XHVYDHIIATXVTA-OAHLLOKOSA-N 318.381 -0.452 30 20 DBED C#CCCNC[C@@H](O)CNC(=O)Cn1c(O)nc2ccccc21 1753928056 BNQOCSXNOYIGKK-GFCCVEGCSA-N 316.361 -0.168 30 20 DBED C#CCNC(=O)CNC[C@@H](O)CNC(=O)Cc1ccsc1C 1753930977 VZXWKMRIGZSMAJ-CYBMUJFWSA-N 323.418 -0.585 30 20 DBED CC#CCNC[C@H](O)CNC(=O)CCNC(=O)c1cccs1 1753934876 FQGDATVNFXKBTG-LBPRGKRZSA-N 323.418 -0.042 30 20 DBED C=CCNC(=O)[C@H](C)NC[C@H](C)NC(=O)CC1OCCCO1 1754264795 AAWNCPVJZKBNSN-RYUDHWBXSA-N 313.398 -0.076 30 20 DBED COCC#CCNCCCN(C)C(=O)[C@@H](C)[C@@H]1CCC(=O)N1 1754396499 QIZZHWXXVFWWPR-KBPBESRZSA-N 309.410 -0.011 30 20 DBED Cc1nnsc1C(=O)NC[C@@H]1CCN1CC(=O)NCC#N 1754472098 JTQQWNZJSLPOCR-VIFPVBQESA-N 308.367 -0.710 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCC1(NCC(=O)NC(N)=O)CC1 1754525537 UWJJYBHNFJXZRA-ZJUUUORDSA-N 310.354 -0.989 30 20 DBED C#CCCN1CCC(C)(NC(=O)CCNS(C)(=O)=O)CC1 1754626505 GBUPVTYWVMKDQK-UHFFFAOYSA-N 315.439 -0.080 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@@](C)(NC(=O)CCN(C)C)C1 1754677818 AJZFAQPQSCDMGH-XJKSGUPXSA-N 308.426 -0.343 30 20 DBED Cc1cn2ccnc(C(=O)NC[C@@]3(O)CCN(CC#N)C3)c2n1 1754760264 NKIHPNJCAKKDKY-HNNXBMFYSA-N 314.349 -0.272 30 20 DBED CC#CCN1CCOC[C@H]1CNC(=O)C[C@H]1CCCC(=O)N1 1754969086 QSLDAWXZMKYMTN-ZIAGYGMSSA-N 307.394 -0.115 30 20 DBED C=CCNCC1(O)CCN(C(=O)COCc2nncn2C)CC1 1755154591 BNEYYFXSBWAARZ-UHFFFAOYSA-N 323.397 -0.539 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@H](C)N(C)Cc1nnnn1C 1755304413 YUOAYDLBSMYRGT-OLZOCXBDSA-N 319.413 -0.756 30 20 DBED COCC#CCN1CC(CCO)(NC(=O)C[C@@](C)(O)C2CC2)C1 1755331374 CWCYPVLZPOXGEB-MRXNPFEDSA-N 324.421 -0.260 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC([C@H](C)NC(=O)CC(C)(C)O)C1 1755374313 QLPQYSREQKCJME-NWDGAFQWSA-N 309.410 -0.278 30 20 DBED C=CCOCC(=O)N(C)[C@H](C)CNC(=O)c1nnn(C)c1C 1756013835 ZNLVYAKCQUJAGW-SNVBAGLBSA-N 309.370 -0.097 30 20 DBED C#Cc1ccc(C(=O)NC[C@H](CO)NC(=O)c2cnccn2)cc1 1756539217 ZOOOKCJZTZWOHY-CQSZACIVSA-N 324.340 -0.021 30 20 DBED Cn1c(C(=O)NC[C@H](CO)NC(=O)C#CC(C)(C)C)cnc1O 1756540758 QQVVGMDPMFZYOC-SNVBAGLBSA-N 322.365 -0.618 30 20 DBED CCC(=O)N[C@H](C)C(=O)NC[C@H](O)CN(C)C(=O)C#CC1CC1 1756661643 BRCHWQDKHSKCMV-YPMHNXCESA-N 323.393 -0.750 30 20 DBED CC(C)C#CC(=O)NC[C@@H](O)CN(C)C(=O)[C@H]1CC(=O)N(C)C1 1756667208 OWGGWFFVZIPONA-QWHCGFSZSA-N 323.393 -0.940 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@H](O)[C@H](NC(=O)c2cc[nH]c2C)C1 1757164741 WIBQQZSPMQBIFZ-YUTCNCBUSA-N 319.361 -0.337 30 20 DBED CNC(=O)CNC(=S)NN=Cc1cc(C#N)ccc1C(=O)O 1776042391 KDBCNDBWXNTMSN-UHFFFAOYSA-N 319.346 -0.200 30 20 DBED C[C@@H](O)C(=O)N1CC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1783517008 VGVABGUTANSNTB-IAQYHMDHSA-N 307.350 -0.499 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)c1ccco1 1792524200 YHJHHWIBMSKVJJ-JLUCKKNBSA-N 318.329 -0.464 30 20 DBED CO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)S 1800988982 DNFCCWHZBUEEIS-CSYMLDBXSA-N 316.423 -0.071 30 20 DBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)C3(F)CC3)C2)C1 1839810464 YIOZFWMCHCBHOO-CQSZACIVSA-N 310.325 -0.422 30 20 DBED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)c2cnc[nH]2)C1 1842424558 GKTQXZFIEHXNGF-UHFFFAOYSA-N 302.290 -0.685 30 20 DBED C[C@@H](C(=O)N1CCCC12CN(C(=O)CC#N)C2)n1cncn1 1846598509 PEMDIHYITDEHBQ-NSHDSACASA-N 302.338 -0.044 30 20 DBED CC(C)[C@@](C)(C#N)NC(=O)CN1CCN(CC(=O)N(C)C)CC1 32543059 NDXCGRCTRCOWBZ-MRXNPFEDSA-N 323.441 -0.253 30 20 DBED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCNC(=O)[C@@H]2C)CC1 121977774 HDQJVXAXWYOCQF-KBPBESRZSA-N 321.425 -0.501 30 20 DBED N/C(=N/CCn1cccn1)N1CCN(c2ncccn2)CC1 262008861 SMSKGZCDYUIVDK-UHFFFAOYSA-N 300.370 -0.190 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2[C@H]3CCNC[C@H]2CC3)C1=O 262230150 MAKGTMTXXVRWJM-GHMZBOCLSA-N 320.349 -0.684 30 20 DBED C/N=C(/NC[C@@H]1CN(C)CCO1)NC[C@@](C)(O)c1ccco1 262300271 AHDBRPJGPGQPIY-IUODEOHRSA-N 310.398 -0.017 30 20 DBED COC(=O)CN(CC(=O)N[C@@](C)(C#N)C1CC1)CC(=O)OC 264533764 MMXBXLQXYPMNLW-AWEZNQCLSA-N 311.338 -0.557 30 20 DBED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CO)CC2)cc1 270734030 DBSODOAYFDKLMJ-UHFFFAOYSA-N 309.347 -0.617 30 20 DBED N#CCCCS(=O)(=O)N1CC[C@@](CC(=O)O)(C(=O)O)C1 275141304 QFWFTHSNNJAXTM-NSHDSACASA-N 304.324 -0.129 30 20 DBED C#CCOc1cccc(NC(=O)C(=O)N2CCNC(=O)[C@@H]2C)c1 275792828 CGLSNYZSDVHPGM-NSHDSACASA-N 315.329 -0.016 30 20 DBED C=C(Cl)CNC(=O)N1CCN(CCS(N)(=O)=O)CC1 281836817 HQCRIELRLBUVKM-UHFFFAOYSA-N 310.807 -0.645 30 20 DBED CO/N=C/C(=O)N1CCN(c2nccn3cnnc23)[C@H](C)C1 289816593 NWMJNORRHNKGSZ-JYMRLUDQSA-N 303.326 -0.206 30 20 DBED N#Cc1cncc(S(=O)(=O)NCCCN2CCOCC2)c1 289987056 YEFFVCAJOBVTSE-UHFFFAOYSA-N 310.379 -0.046 30 20 DBED C[C@H](C/N=C(/O)N1CCN2CCOC[C@H]2C1)N1CCOCC1 329842188 NRSIHGYHYKHEKT-ZIAGYGMSSA-N 312.414 -0.363 30 20 DBED O=C1CCC(=O)N1CC/N=C(/O)N1CCO[C@@]2(CCOC2)C1 329870907 CAMCMDZFEJHMMR-AWEZNQCLSA-N 311.338 -0.459 30 20 DBED CNS(=O)(=O)c1cccc(C(=O)N2CCO[C@H](C#N)C2)c1 330665973 WWIKRTAXNKINFP-LLVKDONJSA-N 309.347 -0.041 30 20 DBED COC(=O)C(C)(C)CN/C(O)=N/CC(=O)N1CCOCC1 330682371 PZNXFUZCYPQENZ-UHFFFAOYSA-N 301.343 -0.452 30 20 DBED CN(CC(=O)Nc1nc2n(c1C#N)CCS2)S(C)(=O)=O 331423980 QQQXVVHJGDDYPJ-UHFFFAOYSA-N 315.380 -0.310 30 20 DBED C=CCNC(=O)NC(=O)CN[C@@H](C1CC1)[C@]1(CO)CCCO1 339763294 QTLYDZAKMMNVHW-DZGCQCFKSA-N 311.382 -0.092 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NC[C@H]1COCCO1 342663762 KAWNLRDSELMGSQ-AGIUHOORSA-N 312.366 -0.385 30 20 DBED COCCN([C@@H](C)C(N)=O)S(=O)(=O)c1ccc(C#N)o1 344409535 NXPPXQAMVNTCPG-QMMMGPOBSA-N 301.324 -0.338 30 20 DBED CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCC#N)cc1 345046027 AONVPPHOOMKJBM-SECBINFHSA-N 324.362 -0.048 30 20 DBED C=CCNC(=O)CNC(=O)c1cc(C)ccc1S(N)(=O)=O 347889920 GTCOQXRVHNFDOV-UHFFFAOYSA-N 311.363 -0.326 30 20 DBED CC[C@](C)(C#N)C(=O)N1CCC[C@H](CNS(N)(=O)=O)C1 349802931 LYKIQWZZOSCRKG-ZYHUDNBSSA-N 302.400 -0.042 30 20 DBED C=CCNC(=O)NC(=O)CN(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 354565519 ZWYXNXMHBOSQHL-VHSXEESVSA-N 305.400 -0.248 30 20 DBED C=CCSCCNC(=O)C(=O)N1CCO[C@H](COC)C1 355286660 GUUROMQSTRMWQD-NSHDSACASA-N 302.396 -0.104 30 20 DBED COCCO[C@@H]1COCC[C@H]1NS(=O)(=O)N(C)CCC#N 362619933 CKTGRABZWVIYPN-VXGBXAGGSA-N 321.399 -0.513 30 20 DBED C[C@H](C(=O)N1CCO[C@H](C#N)C1)N1C(=O)NC2(CCCC2)C1=O 363391121 OVGADWHTSPZLAV-GHMZBOCLSA-N 320.349 -0.010 30 20 DBED C#CCNC(=O)C1CCN(C(=O)NCCN2CCOCC2)CC1 491750957 JAPBGDRDRBSFDO-UHFFFAOYSA-N 322.409 -0.510 30 20 DBED C=CCN(C(=O)[C@@H]1NC(=O)O[C@H]1C)[C@@H]1CCS(=O)(=O)C1 496130354 SPJYLBQNYIBKNK-IVZWLZJFSA-N 302.352 -0.315 30 20 DBED N#CCNC(=O)CNC(=O)[C@H]1CC(=O)N(C2CCCCC2)C1 557782716 MXRIAHOEBFEZOA-NSHDSACASA-N 306.366 -0.076 30 20 DBED Cn1c(Cn2cc3c(c(C#N)c2=O)CCC3)cc(=O)n(C)c1=O 582340349 YPYOBSSGPLLMIS-UHFFFAOYSA-N 312.329 -0.346 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 583672369 MMTWXRKXIGSYFX-WOPDTQHZSA-N 322.365 -0.087 30 20 DBED CNS(=O)(=O)CCN(C)CCCc1[nH]nc(N)c1C#N 598599649 PPDYODOHTGWNHA-UHFFFAOYSA-N 300.388 -0.723 30 20 DBED Cc1cc(NC(=O)C(=O)N2CCN(CCC#N)CC2)nn1C 602078053 MMDOJGUONFZQTN-UHFFFAOYSA-N 304.354 -0.275 30 20 DBED N#Cc1ccccc1S(=O)(=O)N1CC2(C1)CS(=O)(=O)C2 603372059 UBPGFUFKGAJXOA-UHFFFAOYSA-N 312.372 -0.023 30 20 DBED N#CCc1cccc(S(=O)(=O)N[C@@H](CC(=O)O)C(=O)O)c1 619470149 NRXVQOBHTPKKHF-JTQLQIEISA-N 312.303 -0.041 30 20 DBED C=CCN1CCC(NC(=O)CCn2cc[nH]c(=O)c2=O)CC1 730034735 DAGURBNZPMDWJC-UHFFFAOYSA-N 306.366 -0.307 30 20 DBED C#CCNC(=O)CN1CCN(c2ccc(C(=O)O)nn2)CC1 736075790 HRMYSHBMMRTUHZ-UHFFFAOYSA-N 303.322 -0.954 30 20 DBED N#Cc1cc(-c2nn[nH]n2)c(N)nc1SCCOCCO 737704346 DUXBGWFWPAWGGJ-UHFFFAOYSA-N 307.339 -0.183 30 20 DBED CC[C@]1(c2cnn(C)c2)NC(=O)N(CC(=O)NCCC#N)C1=O 755856559 JHNWLMNUTZHKEU-CQSZACIVSA-N 318.337 -0.393 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCC(C(=O)NCCCO)CC1 769333705 FPQHCGWYXPQAHC-HNNXBMFYSA-N 321.421 -0.179 30 20 DBED C#CCNC(=O)COC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C 770097669 IWXRFCHECHQTOR-SNVBAGLBSA-N 304.368 -0.757 30 20 DBED CC[C@@H](C)C(C)=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 771892991 WMQXSSCOCYTJMP-MRVPVSSYSA-N 316.383 -0.216 30 20 DBED C#C[C@H](NC(=O)c1cn(CC(=O)N(C)C)nn1)[C@@H]1CCCO1 772886615 RDDYYBJJWBZELP-JQWIXIFHSA-N 305.338 -0.723 30 20 DBED C#C[C@H](NC(=O)NCCCN1C(=O)CNC1=O)[C@H]1CCCO1 773295020 YXPGOGRDLJAFJA-WDEREUQCSA-N 308.338 -0.592 30 20 DBED N#Cc1c(NCCN2CCOCC2)cccc1S(N)(=O)=O 784548338 QTGGLDGSVKOJGY-UHFFFAOYSA-N 310.379 -0.050 30 20 DBED C[C@@H]1C[C@@H](O)CN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 788539147 LPXKEVIGFLIIRB-NXEZZACHSA-N 323.374 -0.293 30 20 DBED C#CCCCS(=O)(=O)N1CCC2(CC1)NC(=O)N(C)C2=O 805052057 UPDIVKQDDJGIPZ-UHFFFAOYSA-N 313.379 -0.254 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@H]1CCN(C(C)C)C1=O)[C@@H]1CCCO1 806261208 QDYQWTZQEOWJEK-AVGNSLFASA-N 321.377 -0.591 30 20 DBED C#C[C@H](NC(=O)C(=O)NCCC1(C)OCCO1)[C@H]1CCCO1 806376596 XYMQHNYMWLHOPL-NWDGAFQWSA-N 310.350 -0.447 30 20 DBED C#CCCCNC(=O)C(=O)N1CCN(C[C@H]2CCCO2)CC1 806909253 BEZFHYSGJDSDOC-CQSZACIVSA-N 307.394 -0.161 30 20 DBED O=C(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)N[C@H]1CCCN(O)C1=O 848132317 PTNJELXZIPAKPD-AXFHLTTASA-N 321.333 -0.566 30 20 DBED C#CCN1CCC[C@@H](NC(=O)N2CCN3C(=O)NC[C@@H]3C2)C1 890368290 GKXIQTVKASTCBB-CHWSQXEVSA-N 305.382 -0.497 30 20 DBED N#C[C@H]1CN(C(=O)NC[C@H]2CNCCCO2)CCN1C1CC1 892167149 CCYXSCCXGKVEGK-UONOGXRCSA-N 307.398 -0.253 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N1[C@@H](C)[C@H](C)NC(=O)[C@H]1C 921897701 UBMCBYKYAZSYAV-GARJFASQSA-N 317.411 -0.106 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCN(C(=O)c3nc[nH]n3)C2)nn1 940505244 YXCQEEYLPPEHIH-SECBINFHSA-N 316.325 -0.773 30 20 DBED CC#CCN1CC[C@H](NC(=O)Cn2ccc(O)nc2=O)[C@@H](C)C1 942313047 FECRXACRNDUSHP-STQMWFEESA-N 318.377 -0.201 30 20 DBED C[C@@H]1C[C@H](NC(=O)Cn2ccc(O)nc2=O)CCN1CC#N 947512395 VNVPIORGLOVWKZ-GHMZBOCLSA-N 305.338 -0.558 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@@H]2CCN2C(=O)Cn2nccn2)c1 949294287 ZBZTTXMUAJJVEP-NSHDSACASA-N 313.321 -0.491 30 20 DBED N#CCN1CCOC2(CCN(C(=O)CCc3nc[nH]n3)CC2)C1 949331650 BBPKUTDRMZIOQK-UHFFFAOYSA-N 318.381 -0.046 30 20 DBED C=CCN1CCN(C(=O)C[C@]2(C)CCS(=O)(=O)N2)CC1 957462808 TZULXMDTJOOSBO-ZDUSSCGKSA-N 301.412 -0.212 30 20 DBED C#CCN1C[C@H](CNC(=O)c2ccnc3[nH]nnc23)[C@@H](O)C1 958248884 PYVFVGYSMXVDCW-ONGXEEELSA-N 300.322 -0.991 30 20 DBED Cc1cn2ccnc(C(=O)NC[C@@H]3CN(CC#N)C[C@H]3O)c2n1 958578430 VDSFTMJQDABCET-VXGBXAGGSA-N 314.349 -0.416 30 20 DBED C=CCCN1C[C@@H](O)[C@@H](CNC(=O)C2CCN(C(N)=O)CC2)C1 958658098 ULEJQOYEFGPYAV-UONOGXRCSA-N 324.425 -0.238 30 20 DBED C#CCN1C[C@H]2[C@H](NC(=O)[C@@H]3COCCN3CC(F)F)[C@H]2C1 961375888 UWEGVMKNOBQXCU-KZVDOYCCSA-N 313.348 -0.368 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)C(N)=O)CC1 964930576 ODYNKLDDRRPPSN-UPJWGTAASA-N 323.393 -0.050 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC2(C1)CN(C(=O)[C@@H]1CCCN1C)C2 965475932 YWTGPNOXMFMOAH-STQMWFEESA-N 320.393 -0.320 30 20 DBED CN(CC#N)[C@H]1CCN(C(=O)[C@H]2CCc3nnn(C)c3C2)C1 972178382 AAEBPXDDBLOTHE-RYUDHWBXSA-N 302.382 -0.024 30 20 DBED C=CCN(C)[C@H]1CCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)C1 972476427 OBFVDTQWTFRBJN-JTQLQIEISA-N 308.338 -0.874 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)Cn3ccccc3=O)[C@H]2C1 976489826 PHWLMYSYTAHUSG-FJJYHAOUSA-N 314.345 -0.419 30 20 DBED CCn1cc(C(=O)N[C@H]2[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]32)nn1 977094740 YEFGIXWUGREZDU-JYAVWHMHSA-N 313.361 -0.102 30 20 DBED CN1CC(=O)N(CC(=O)N[C@H]2CCC[C@H](NCC#N)C2)C1=O 981507559 YQTRGNQTPNVFPX-QWRGUYRKSA-N 307.354 -0.579 30 20 DBED C=CCN1CC[C@@H](NC[C@H]2C[C@H](NC(=O)c3nc[nH]n3)C2)C1=O 984937596 VPJAYOXILOJTJI-IJLUTSLNSA-N 318.381 -0.310 30 20 DBED CC#CCN1CCC[C@H](NC(=O)Cn2ncn(C)c2=O)[C@@H]1C 993506316 DBAXNJDXIXTIIL-STQMWFEESA-N 305.382 -0.426 30 20 DBED C[C@H]1[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)CCCN1CC#N 994368024 VEMCSMZVQWAYOL-QWRGUYRKSA-N 307.354 -0.627 30 20 DBED C=CCNC1CCN(C(=O)CN2CCS(=O)(=O)CC2)CC1 997294184 KMCCPJWVLNWWOR-UHFFFAOYSA-N 315.439 -0.517 30 20 DBED C=CCN1CC[C@H](n2cc(CNC(=O)[C@H]3CCC(=O)N3)nn2)C1 999961791 JXXOGLAGSRSIBT-QWHCGFSZSA-N 318.381 -0.394 30 20 DBED C=C1CCC(C(=O)N2CC(CNC(=O)[C@H]3CNC(=O)N3)C2)CC1 1003946552 KJUYVZSGRAZDAE-CYBMUJFWSA-N 320.393 -0.011 30 20 DBED C[C@@H](C#N)C(=O)N1CCCC2(C1)CN(C(=O)[C@H]1C[C@H]1C(N)=O)C2 1010865550 BWNBBESXYVYXOC-TUAOUCFPSA-N 318.377 -0.282 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2C(NC(=O)c3cnnc(O)c3)[C@@H]2C1 1013261339 ANVWMTMNLCKGKC-SZEHBUNVSA-N 301.306 -0.472 30 20 DBED C#Cc1ccccc1CC(=O)N1C[C@@H](NC(=O)C(N)=O)C[C@H]1C 1013489677 BLDISNZEVKSNSA-RISCZKNCSA-N 313.357 -0.199 30 20 DBED Cn1c(C(=O)NC2[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]23)cnc1O 1013545185 XMCFVBKCIGOPPS-GHMZBOCLSA-N 314.345 -0.274 30 20 DBED C#Cc1ccc(C(=O)N2CCC[C@@H](NC(=O)C(N)=O)[C@@H]2C)cn1 1015184630 OYRJQXFYYDIRAJ-GXFFZTMASA-N 314.345 -0.343 30 20 DBED Cc1nc(CC(=O)N2CC[C@H]3CN(C(=O)[C@H](C)C#N)C[C@H]32)n[nH]1 1021594040 WLECANMQMWRVFZ-ADEWGFFLSA-N 316.365 -0.125 30 20 DBED C#CCN[C@@H]1CC[C@H]2CN(C(=O)CC3CS(=O)(=O)C3)C[C@@H]21 1026297057 GTVORYSKMXJSLV-MELADBBJSA-N 310.419 -0.119 30 20 DBED N#CCN1CCC[C@H]1CNC(=O)[C@@H]1CCc2nnc(O)n2C1 1027978540 OGUWENPXVGPWRC-MNOVXSKESA-N 304.354 -0.350 30 20 DBED N#CCN1[C@H]2CC[C@H]1CN(C(=O)CC[C@H]1NC(=O)NC1=O)C2 1029577285 LHEXOKKSJFCQFO-GARJFASQSA-N 305.338 -0.827 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1CCCN([C@H]2CCNC2=O)C1 1030031498 WLJLYESIILTJJS-KKUMJFAQSA-N 318.421 -0.447 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)c3cnn(C)n3)C2)C1=O 1031099629 OTZDEQPPKGXPRQ-GFCCVEGCSA-N 304.354 -0.984 30 20 DBED CC#CCN1C[C@@H]2C[C@H]1CN2C(=O)CN1CCCS1(=O)=O 1032434134 BIVWFDWWEFQNFA-STQMWFEESA-N 311.407 -0.670 30 20 DBED C=C(C)CN1CC[C@H](N(C)C(=O)CN2C(=O)C(=O)N(C)C2=O)C1 1033468852 HSLYIIOYYXGMIG-NSHDSACASA-N 322.365 -0.484 30 20 DBED C#CCN1CCO[C@H](CNC(=O)c2cnc(C)nc2OC)C1 1035391274 NKDCRFBJTPHKAP-GFCCVEGCSA-N 304.350 -0.143 30 20 DBED C#CCN1CCO[C@H](CNC(=O)c2cc(C(N)=O)ccn2)C1 1035625069 LWVHNIWINZKQOA-GFCCVEGCSA-N 302.334 -0.756 30 20 DBED C[C@@H]1CN(C(=O)CCN2C(=O)CCC2=O)CC[C@H]1NCC#N 1036107354 HKQYGYTXQFKTNZ-VXGBXAGGSA-N 306.366 -0.124 30 20 DBED C=CCn1cc(C(=O)N2CC[C@@H](NCC(N)=O)[C@H](C)C2)nn1 1036219577 PSIVESPJXYIBKF-GHMZBOCLSA-N 306.370 -0.610 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@@H](NCC(N)=O)[C@@H](C)C2)nc1 1036259167 WEMHLBONOHIWIW-WCQYABFASA-N 300.362 -0.012 30 20 DBED C=C(C)CN[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)C[C@@H]1C 1036283238 FJIFUJQXURXLLW-RYUDHWBXSA-N 308.382 -0.059 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@@H]3[C@H](CCN3CC(N)=O)C2)c1 1036679064 ARWPSIPKAIYXJO-DGCLKSJQSA-N 301.350 -0.092 30 20 DBED C#CCN1CCC(C(=O)N[C@H]2[C@H]3C[C@H]2N(CC(N)=O)C3)CC1 1037744828 WSHGZBVBLSIWQH-GUTXKFCHSA-N 304.394 -0.994 30 20 DBED CC#CCN1CC[C@@H]1CNC(=O)c1coc(S(N)(=O)=O)c1 1038432475 PGNYKRBSCKIXKZ-LLVKDONJSA-N 311.363 -0.246 30 20 DBED CC(C)C#CC(=O)NC[C@]1(O)CCN(C(=O)c2n[nH]cc2F)C1 1039665461 MDFXYSQUOCQDGC-OAHLLOKOSA-N 322.340 -0.099 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC[C@@](O)(CNC(=O)C#CC2CC2)C1 1039681363 ZPUAAVRBTZTOQI-DLBZAZTESA-N 320.389 -0.194 30 20 DBED O=C(C#CC1CC1)NC[C@]1(O)CCN(C(=O)CN2CCCC2)C1 1039688147 BBUZUZQSGKOXTO-QGZVFWFLSA-N 319.405 -0.425 30 20 DBED C[C@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)Cc2ncc[nH]2)C1 1040758895 CLYLXHOBIDRPGZ-QMTHXVAHSA-N 305.338 -0.809 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)CC2=CCOCC2)C1 1040759438 IRVBXRSVXGZRQI-LRDDRELGSA-N 321.377 -0.038 30 20 DBED N#Cc1cnc(N2C[C@@H](O)[C@H](NC(=O)CN3CCCC3)C2)cn1 1041053354 UIHXMPVFGKSEEO-CHWSQXEVSA-N 316.365 -0.890 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)c3n[nH]cc3F)C2)nc1 1041327725 PNNCBTWGJHQXBN-GHMZBOCLSA-N 316.296 -0.205 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)[C@@H](C)[C@@H]2CCC(=O)N2)C1 1041963199 JNHDUQJJBVLUQG-RYUDHWBXSA-N 323.393 -0.443 30 20 DBED Cc1cc(C(=O)N2CC(O)(CNC(=O)C#CC(C)C)C2)n(C)n1 1042936685 MZHXDLMRRZQKEH-UHFFFAOYSA-N 318.377 -0.309 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@@H]2OCC)C1 1043033348 XNTDOGSRFSXDQJ-OLZOCXBDSA-N 324.377 -0.859 30 20 DBED CCN(CC)CC(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1043157595 HBBSTWPKZDHPSA-UHFFFAOYSA-N 307.394 -0.569 30 20 DBED Cc1nc[nH]c1C(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@@H]1O 1044034641 DBQBDQBKEYETMP-YPMHNXCESA-N 312.333 -0.036 30 20 DBED C=C[C@@H](C)[C@H](C)C(=O)NCC1(O)CN(C(=O)c2cnn(C)n2)C1 1044979477 FVZIJEUJHQALCN-MNOVXSKESA-N 321.381 -0.424 30 20 DBED C=C[C@H](C)[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2cn(C)nn2)C1 1044980275 LKRDBONWGGGASR-WDEREUQCSA-N 321.381 -0.424 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)COc2cccnc2)C1 1045546040 HBUBFHGZGRWNAR-LLVKDONJSA-N 318.333 -0.690 30 20 DBED Cn1nncc1C(=O)N1CCN([C@@H]2CCN(CC#N)C2)CC1 1046024874 CQYLPTRHGGBESW-GFCCVEGCSA-N 303.370 -0.829 30 20 DBED C=CCN1CC[C@H](N2CCN(C(=O)C(C)(C)C(N)=O)CC2)C1 1046037695 WKTQUBSZXUUSER-ZDUSSCGKSA-N 308.426 -0.098 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)[C@H]2CC[C@@H](C)O2)C1 1047026990 UGHIADRFPZXPLP-CHWSQXEVSA-N 324.377 -0.717 30 20 DBED C#CCCN1C[C@H]2C[C@H](NC(=O)CN3CCNC(=O)C3)C[C@H]1C2 1047123174 QTUVYQLQTIFDQQ-SOUVJXGZSA-N 318.421 -0.589 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)C(=O)N2CCC[C@@H](C)C2)C1 1047554819 LWVYRGFQECJUIA-ILXRZTDVSA-N 321.421 -0.228 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)C[C@H]2CCOC2)C[C@@H]1O 1049395308 SQGQKNWOQJOKBC-NDBYEHHHSA-N 309.366 -0.397 30 20 DBED C[C@@H](NC(=O)CC(N)=O)[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 1050497496 BQFOTYLBITWXAV-ZJUUUORDSA-N 317.349 -0.271 30 20 DBED CC#CCN1CCC2(CC1)CN(C(=O)[C@@H]1CC(=O)NC(=O)N1)C2 1050682133 CBSSQLSUYNRDQI-LBPRGKRZSA-N 318.377 -0.468 30 20 DBED C#CCCN1CCOC[C@@H]1CNC(=O)[C@@H]1CCCN(C(N)=O)C1 1051012097 SXQSAVMXUPYEDU-KGLIPLIRSA-N 322.409 -0.383 30 20 DBED C=CCN1CCOC[C@H]1CNC(=O)c1cc(=O)n2[nH]cnc2n1 1051209138 IFWRGCOMRBPZMH-SNVBAGLBSA-N 318.337 -0.966 30 20 DBED N#Cc1nc(=NC2CC(CNC(=O)[C@H]3COC(=O)N3)C2)cc[nH]1 1051918666 MKUYEHQWKSIPST-UDNWOFFPSA-N 316.321 -0.815 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)c1[nH]c(O)nc1C)CCO2 1053297808 ADYRLDMORWIBLT-UHFFFAOYSA-N 304.350 -0.026 30 20 DBED CC#CCN1CC2(CC[C@@H](CNC(=O)[C@@H]3CCC(=O)NC3)O2)C1 1053621014 ZAQIZGFRQNXTMW-KGLIPLIRSA-N 319.405 -0.115 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)C[C@@H]3CCNC3=O)CO2)C1 1053827571 CPRWYROOSOZZCU-STQMWFEESA-N 305.378 -0.505 30 20 DBED Cc1ccc(=O)n(CC(=O)N[C@H]2COC3(C2)CN(CC#N)C3)n1 1053987185 JNYODYAOBNUHNH-GFCCVEGCSA-N 317.349 -0.965 30 20 DBED C#CCCCC(=O)N1C[C@H]2CN(C(=O)Cn3cncn3)C[C@H]2C1 1055312330 CPUZMGIFXZDSQG-OKILXGFUSA-N 315.377 -0.002 30 20 DBED N#Cc1nccc(N2C[C@@H]3C(NC(=O)[C@@H]4[C@H]5COC[C@H]54)[C@H]3C2)n1 1056364881 DAYZDIHIIGAYMZ-MOUCOTEISA-N 311.345 -0.209 30 20 DBED N#Cc1cnc(N2C[C@@H]3C(NC(=O)Cc4cnc[nH]4)[C@H]3C2)cn1 1056427898 AGWFYQMOZGOWRY-RYUDHWBXSA-N 309.333 -0.135 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H]2[C@H]1CCN2C(=O)CNC(N)=O 1056540560 LRLNUURGUDUOFI-OUAUKWLOSA-N 307.354 -0.594 30 20 DBED Cc1nc(O)[nH]c1C(=O)N1CC[C@@H](N=c2cc[nH]c(C#N)n2)C1 1056722629 QIBBUPNGLZGOLB-SECBINFHSA-N 313.321 -0.166 30 20 DBED C=CCn1cc(C(=O)NCCN(CCO)C(=O)[C@H]2C[C@@H]2C)nn1 1056862811 OLHNAOVKEPFNRF-RYUDHWBXSA-N 321.381 -0.329 30 20 DBED CN(c1cnc(C#N)cn1)[C@H]1CCN(C(=O)[C@H]2COCCO2)C1 1056869833 RYKIDSZBORWRNQ-QWHCGFSZSA-N 317.349 -0.199 30 20 DBED N#Cc1cc(C(=O)N(CCO)CCNC(=O)c2ncc[nH]2)c[nH]1 1057391616 GAYHLPGNVIJTEP-UHFFFAOYSA-N 316.321 -0.526 30 20 DBED C=CCO[C@H](C)C(=O)N(CCO)CCNC(=O)[C@@H]1CCCO1 1057921158 AZLHQSRZBPVPQR-OLZOCXBDSA-N 314.382 -0.306 30 20 DBED CO[C@H](C(=O)N(CCO)CCNC(=O)[C@H](C)C#N)C1CCC1 1058184717 ZGGDCJGCJRXEFH-YPMHNXCESA-N 311.382 -0.102 30 20 DBED N#Cc1nccc(N2CCC[C@H](NC(=O)[C@@H]3CCNC3=O)C2)n1 1058220976 QOSBTSIERIYXRB-WDEREUQCSA-N 314.349 -0.431 30 20 DBED Cc1cc(C#N)nc(N2CC[C@@H](NC(=O)c3cnnn3C)C2)n1 1058350622 POXITISLJFMUCH-SNVBAGLBSA-N 312.337 -0.206 30 20 DBED C[C@@]1(C(=O)N[C@@H]2CCN(c3cncc(C#N)n3)C2)CCC(=O)N1 1058536169 CWMHTICPSABLKB-BMIGLBTASA-N 314.349 -0.288 30 20 DBED N#Cc1ccc(N[C@H]2CCN(C(=O)C3CS(=O)(=O)C3)C2)nn1 1058974471 NGCJBZPWNKHHRE-NSHDSACASA-N 321.362 -0.594 30 20 DBED CN1C[C@@H](C(=O)N[C@H]2C[C@H](N=c3cc[nH]c(C#N)n3)C2)CC1=O 1059445828 DVIUDXSVTBUKHK-DCAQKATOSA-N 314.349 -0.692 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 1060864713 ADCIGSMQJXYDTN-ZWNOBZJWSA-N 315.333 -0.256 30 20 DBED N#Cc1cncc(NC[C@@H]2CCN(C(=O)[C@@H]3CCNC3=O)C2)n1 1060952936 LNUJFSMKVAKVHX-CMPLNLGQSA-N 314.349 -0.255 30 20 DBED CC(C)C#CC(=O)N1CCOC[C@H]1CNC(=O)[C@H]1CCN(C)C1 1061595580 LDHYDGOKGJOYFT-LSDHHAIUSA-N 321.421 -0.059 30 20 DBED O=C(C#CC1CC1)N1CCOC[C@H]1CNC(=O)[C@]1(F)CCOC1 1061807637 BAPJJBCGGVIIRT-CJNGLKHVSA-N 324.352 -0.128 30 20 DBED Cc1c[nH]nc1C(=O)N1CCOC[C@@H]1CNC(=O)[C@@H](C)C#N 1061848874 WDWKVKRDZTYOOR-ONGXEEELSA-N 305.338 -0.165 30 20 DBED C#CCNC(=O)CC(=O)NCC1(NC(=O)[C@@H](C)OC)CCC1 1062829711 XLVNGVYNGIUZLN-LLVKDONJSA-N 309.366 -0.684 30 20 DBED C[C@@]1(NC(=O)[C@H]2COCCO2)CCN(c2ccnc(C#N)n2)C1 1065211709 YMGIOPMDNVLITA-IAQYHMDHSA-N 317.349 -0.151 30 20 DBED C=CCOCC(=O)N[C@H]1CCCN(C(=O)[C@H]2CCC(=O)N2)CC1 1065985492 QUBZEUCRHXMDGZ-QWHCGFSZSA-N 323.393 -0.035 30 20 DBED Cc1cc(=NC[C@H]2CN(C(=O)CC(N)=O)CCO2)c(C#N)c[nH]1 1066607532 QYIAWQQROBPYGT-LBPRGKRZSA-N 317.349 -0.802 30 20 DBED CCc1nc(C#N)cc(N2CC[C@@H](C)[C@@H](NC(=O)C(N)=O)C2)n1 1067990208 QBXUQXQTPIYHTC-KOLCDFICSA-N 316.365 -0.273 30 20 DBED CC(=O)N[C@H](C)C(=O)N1CC2(CN(C(=O)[C@@H](C)C#N)CCO2)C1 1068451917 WLUQLODEFIRAGM-WDEREUQCSA-N 322.365 -0.890 30 20 DBED N#Cc1cnc(NC[C@H]2C[C@H](NC(=O)[C@H]3CNC(=O)N3)C2)cn1 1068577325 OIWXCTAKRVDUOD-FXPVBKGRSA-N 315.337 -0.664 30 20 DBED CC(C)(C)C#CC(=O)N[C@H]1COC2(C1)CN(C(=O)CC(N)=O)C2 1068863525 YGTZHQTWRYNKDU-LLVKDONJSA-N 321.377 -0.603 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1COC2(C1)CN(C(=O)Cc1cc[nH]n1)C2 1069001870 AGZXOWOKXZZWQV-CMPLNLGQSA-N 317.349 -0.402 30 20 DBED Cc1cncn1CC(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1 1069980090 BFAWWVJJLAPIDM-OLZOCXBDSA-N 314.353 -0.652 30 20 DBED N#CCN[C@@H]1CN(C(=O)c2ccncc2F)C[C@@H]1n1ccnn1 1070164899 QWKBOEGRNFVUNH-OLZOCXBDSA-N 315.312 -0.009 30 20 DBED C#CCN[C@@H]1CN(C(=O)Cn2nccc2C)C[C@@H]1n1ccnn1 1070289706 RBCGVJZJOLNNPL-KGLIPLIRSA-N 313.365 -0.542 30 20 DBED C=CCN[C@@H]1CN(C(=O)[C@H]2COCCO2)C[C@H]1c1cncn1C 1070624874 MJQRBCJUVFOXNZ-UMVBOHGHSA-N 320.393 -0.095 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)C[C@H]1c1cncn1C 1070711701 IYUIHWALUGQZEQ-FRRDWIJNSA-N 315.377 -0.784 30 20 DBED C=C(C)CN1CCNC(=O)CCN(C(=O)c2cn(C)nn2)CC1 1070960967 FEVNNAGNQPEGBK-UHFFFAOYSA-N 320.397 -0.345 30 20 DBED C#CCOCCC(=O)N1C[C@H](C)[C@H](NC(=O)c2cnnn2C)C1 1072097984 UIKVEFMFTIHYNX-NWDGAFQWSA-N 319.365 -0.568 30 20 DBED CNC(=O)NCC(=O)N1C[C@@H](NC(=O)C#CC(C)(C)C)[C@H](C)C1 1072268664 QPIPYLXLIZRZLE-VXGBXAGGSA-N 322.409 -0.072 30 20 DBED C#CCOCCC(=O)N[C@H]1CN(C(=O)Cc2nc[nH]n2)C[C@@H]1C 1072776252 VWTFFJMQLCOWIG-RYUDHWBXSA-N 319.365 -0.650 30 20 DBED Cn1cc(C(=O)NC[C@@H]2CN(CC#N)CCCO2)ccc1=O 1073669959 CJLPCXHNODNVND-CYBMUJFWSA-N 304.350 -0.270 30 20 DBED C#CCCCC(=O)N[C@@H]1CCN(C(=O)c2nnn(C)n2)C[C@H]1C 1073916086 IYXABTNQXJCVBU-VXGBXAGGSA-N 318.381 -0.020 30 20 DBED C=CCCC(=O)NCC[C@H](C)NC(=O)CNS(=O)(=O)CC 1075887169 ZDCUPFZZHLESGX-NSHDSACASA-N 319.427 -0.097 30 20 DBED C=CCCOCC(=O)N[C@@H](C)CCNC(=O)[C@H](C)NC(N)=O 1076269206 BNEPASYWKYBJFT-QWRGUYRKSA-N 314.386 -0.353 30 20 DBED C[C@@H](CCNC(=O)C#CC1CC1)NC(=O)[C@@H](C)S(C)(=O)=O 1076433688 LZNWGEKOWPOBHF-WDEREUQCSA-N 314.407 -0.156 30 20 DBED CNS(=O)(=O)CCC(=O)NCC[C@H](C)NC(=O)[C@H](C)C#N 1076514853 JZKZDLGPGVLJID-ZJUUUORDSA-N 318.399 -0.904 30 20 DBED Cn1cncc1CN1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 1076906357 XEYIKSRKXBWSJI-ZIAGYGMSSA-N 314.349 -0.405 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3nn[nH]c3C2)C1 1077999568 QRTUWOYOBCGIKG-LERXQTSPSA-N 305.382 -0.353 30 20 DBED Cc1nn(CC(=O)N[C@@H](C)CCNC(=O)[C@@H](C)C#N)c(=O)n1C 1078132518 WVTCFHABCUNWNN-UWVGGRQHSA-N 322.369 -0.939 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)c2cccc(C(N)=O)n2)C1 1078246296 UZSLDSXAPWVEBH-CHWSQXEVSA-N 304.350 -0.469 30 20 DBED N#CCN[C@@H]1C[C@@H](NC(=O)CN2CCCNC2=O)C12CCC2 1078668740 QKNNZFVFOTUNAE-VXGBXAGGSA-N 305.382 -0.058 30 20 DBED CCN(C(=O)C#CC1CC1)C1CN(C(=O)c2c[nH]c(=O)cn2)C1 1079739466 UUDUPFYAOKRQKV-UHFFFAOYSA-N 314.345 -0.144 30 20 DBED C=CCCC(=O)N1CCC(CO)(NC(=O)c2cnn[nH]2)CC1 1080909207 NKBATCMYSUXNDK-UHFFFAOYSA-N 307.354 -0.146 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@H]1O 1081335271 JKQZYLBSMSJXIN-CMPLNLGQSA-N 320.349 -0.715 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1O 1081463081 JEECVMLUOFPTPL-HUUCEWRRSA-N 323.437 -0.079 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)Cn2cccn2)C[C@@H]1O 1081463599 PQEGQRXNRPMKEF-KBPBESRZSA-N 318.377 -0.522 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1ccc2nc[nH]c2n1 1081840822 VJPUPIUSUGOYLG-VXGBXAGGSA-N 300.322 -0.090 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)c2nnn(C(C)C)c2C)C1 1083898943 JYVOBBYLPSZEOX-OLZOCXBDSA-N 305.382 -0.034 30 20 DBED Cn1cnn(CCC(=O)N2CCCCC[C@@H](NCC#N)C2)c1=O 1088352747 IMIUICLREKXCPG-CYBMUJFWSA-N 320.397 -0.144 30 20 DBED CCN(c1cnc(C#N)cn1)[C@H](C)CNC(=O)Cn1cnnn1 1089585478 VNVHCMRCBHEBMQ-SNVBAGLBSA-N 315.341 -0.634 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2cn(CCOC)nn2)[C@@H](O)C1 1090259655 VYQMEJSWXQDXIV-OCCSQVGLSA-N 321.381 -0.887 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2cc(OC)ncn2)[C@@H](O)C1 1090271342 HQJQOSCRFNTWNN-AAEUAGOBSA-N 304.350 -0.327 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2cnc3n2CCOC3)[C@@H](O)C1 1090338247 ZLSVIMFDHNWJIM-YPMHNXCESA-N 304.350 -0.789 30 20 DBED CC(C)[C@@H](O)C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1O 1090408632 XWUHQQSENFAJRG-IJLUTSLNSA-N 305.338 -0.969 30 20 DBED Cc1sc(=O)n(CC(=O)N[C@H]2CCN(CC#N)C[C@@H]2O)c1C 1090829696 DTPXUVQXMQWJKR-RYUDHWBXSA-N 324.406 -0.398 30 20 DBED CCO[C@@H](CC)C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@@H]1O 1091078467 STTYTPVRNIBSAM-AGIUHOORSA-N 319.365 -0.171 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CCN(c2nccn3nnnc23)[C@@H]1C 1091944417 ADDFSXLAQPMTNK-AEJSXWLSSA-N 300.326 -0.238 30 20 DBED C#CCN1C[C@@H]2CN(C(=O)C[C@H]3CC(=O)NC3=O)C[C@]2(C)C1 1092330226 GCCJISHIJLONBN-HSMVNMDESA-N 303.362 -0.547 30 20 DBED C[C@@]1(CNC(=O)C(N)=O)CN(c2ncc(C#N)cc2F)CCO1 1092775077 NSLBJKVTWMMMHG-CQSZACIVSA-N 321.312 -0.711 30 20 DBED O=C(C#CC1CC1)NC1[C@H]2CN(c3ccc4nnnn4n3)C[C@H]12 1093264617 WAUAMRCXNUWTRD-QWRGUYRKSA-N 309.333 -0.517 30 20 DBED N#CCN1CC(OC2CCN(C(=O)CN3CCCC3=O)CC2)C1 1093505312 GNALVNRRYDGWFE-UHFFFAOYSA-N 320.393 -0.176 30 20 DBED CCCS(=O)(=O)CC(=O)NCCNc1cnc(C#N)cn1 1093661408 XBPZHMOSAKOYKL-UHFFFAOYSA-N 311.367 -0.299 30 20 DBED N#Cc1cnc(NCCNC(=O)c2cccnc2C(N)=O)cn1 1093664766 NUYGOCCQVKMROU-UHFFFAOYSA-N 311.305 -0.316 30 20 DBED N#Cc1nc(=NCCNC(=O)c2ccc(C(N)=O)s2)cc[nH]1 1093740798 PHYZJWVQGRLSSO-UHFFFAOYSA-N 316.346 -0.228 30 20 DBED CC(=O)N(C)CCCC(=O)NCCN=c1cc[nH]c(C#N)n1 1093788990 OBZUNMJKHXCHMR-UHFFFAOYSA-N 304.354 -0.443 30 20 DBED C#CCCN1CC(n2cc(CNC(=O)c3ccnnc3)nn2)C1 1094324399 VDZVVXNXWUZBIL-UHFFFAOYSA-N 311.349 -0.122 30 20 DBED CC#CCN1CC(N2C[C@@H](NC(=O)c3cocn3)CC2=O)C1 1094715860 SGYVYIAVXCURDR-NSHDSACASA-N 302.334 -0.287 30 20 DBED N#CCN1CC(N2C[C@@H](NC(=O)[C@H]3CCCCO3)CC2=O)C1 1094726915 DMUUDMLNJZGJTD-WCQYABFASA-N 306.366 -0.520 30 20 DBED CC#CCN1CC(N2C[C@@H](NC(=O)c3c[nH]nc3C)CC2=O)C1 1094767430 BTOAEHUQODQKFU-LBPRGKRZSA-N 315.377 -0.244 30 20 DBED Cc1cnn(C)c1C(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1 1094772676 CUUCDARJZKQSJS-NSHDSACASA-N 316.365 -0.733 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](N(C)c2nccc(C)n2)C1 1095111401 SFXHHNHYQZCYNZ-ZDUSSCGKSA-N 315.377 -0.038 30 20 DBED CNC(=O)NCC(=O)N1CC[C@@H](N(C)c2ccnc(C#N)n2)C1 1095156608 LZHUUGAYBUZZCU-SNVBAGLBSA-N 317.353 -0.686 30 20 DBED CN(CCCNC(=O)CS(C)(=O)=O)c1ccc(C#N)nc1 1095505889 IYASYYWEUQDSFK-UHFFFAOYSA-N 310.379 -0.060 30 20 DBED CN(CCCNC(=O)CS(C)(=O)=O)c1ccncc1C#N 1095506143 SMBCMWNJOXAHST-UHFFFAOYSA-N 310.379 -0.060 30 20 DBED Cc1nc(N(C)CCCNC(=O)[C@@H]2CNC(=O)N2)ccc1C#N 1095715953 YUQNWXZEMWNCGR-LBPRGKRZSA-N 316.365 -0.114 30 20 DBED CCN(CCCNC(=O)[C@@H]1CCC(=O)N1)c1nccnc1C#N 1095899016 LEPHAIMBEGIFCH-NSHDSACASA-N 316.365 -0.041 30 20 DBED CNC(=O)NCCC(=O)N[C@H]1CCN(c2cnc(C#N)cn2)C1 1096365888 BIJJLMLTZGYJAL-JTQLQIEISA-N 317.353 -0.638 30 20 DBED N#Cc1nc(=N[C@H]2CCN(C(=O)CNC(=O)C3CC3)C2)cc[nH]1 1096917035 BYWLIUYRIWHIDU-NSHDSACASA-N 314.349 -0.691 30 20 DBED C[C@H](CC(N)=O)C(=O)N[C@H]1C[C@@H](N=c2cc[nH]cc2C#N)C1 1097240813 UWNCSCKOQBNANL-JLLWLGSASA-N 301.350 -0.054 30 20 DBED C[C@H](CNC(=O)[C@H]1C[C@H]1C(=O)N(C)C)Nc1ccc(C#N)nn1 1098269539 LYALWCCKOVLRGN-ADEWGFFLSA-N 316.365 -0.011 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)Nc1ncccc1C#N 1098305408 VYYHZXYCMCFHOG-WPRPVWTQSA-N 316.321 -0.532 30 20 DBED N#CCN(CCO)C1CCN(C(=O)c2c[nH]c(=O)cn2)CC1 1098462517 YODJUUILDLEZQS-UHFFFAOYSA-N 305.338 -0.808 30 20 DBED C[C@H](NC(N)=O)C(=O)N1CC[C@@H](CN=c2cc[nH]cc2C#N)C1 1098521981 RDLUHOBVNNTGKG-QWRGUYRKSA-N 316.365 -0.308 30 20 DBED N#CCN[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1C(F)(F)F 1099307516 YCHQHJSUPIESHO-BZNPZCIMSA-N 304.272 -0.390 30 20 DBED Cc1ccc(C(=O)N[C@H]2CCN(CC(=O)NCC#N)C[C@H]2O)o1 1099641607 FGNOEDCPZCYWTM-NWDGAFQWSA-N 320.349 -0.607 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)CCn2cccn2)[C@@H](O)C1 1099684158 NYEJOFIUZJMQLP-CABCVRRESA-N 320.393 -0.526 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(Cc2n[nH]c(C)n2)C[C@H]1O 1099738817 SSQVYQABCVUUIV-VXGBXAGGSA-N 309.370 -0.633 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)[C@H](O)C1 1099757427 FKMDTKDNWVZMSD-DZGCQCFKSA-N 316.361 -0.299 30 20 DBED C#CCN1CC[C@@H](NC(=O)CNC(=O)c2ccoc2C)[C@@H](O)C1 1099846701 ACEIFQOHYPQRRR-KGLIPLIRSA-N 319.361 -0.498 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CCN2C(=O)CCC2=O)[C@H](O)C1 1099908652 HLIBDRSULSDPRE-CHWSQXEVSA-N 321.377 -0.900 30 20 DBED Cc1coc(C(=O)N[C@@H]2CCN(CC(=O)NCC#N)C[C@@H]2O)c1 1099966811 CSSDWXKEPHHPEA-NEPJUHHUSA-N 320.349 -0.607 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)CC(=O)N(C)C)[C@H](O)C1 1100029600 QJTJVPCAYFDWQZ-QWHCGFSZSA-N 313.398 -0.781 30 20 DBED C=CCN1CC[C@@H](NC(=O)CNC(=O)c2ccccn2)[C@H](O)C1 1100124527 JHRCHOBAKOCYBI-TZMCWYRMSA-N 318.377 -0.451 30 20 DBED CCN(CCNC(=O)[C@H]1CCCNC1=O)c1ccnc(C#N)n1 1100640107 JHRYRMYEBDVCNL-NSHDSACASA-N 316.365 -0.183 30 20 DBED CCN(CCNC(=O)CNC(=O)NC)c1ncccc1C#N 1100750373 VVRQEFMMWKDAIO-UHFFFAOYSA-N 304.354 -0.175 30 20 DBED C#CCCN1C[C@@H]2CN(C(=O)[C@H](C)NC(=O)COC)C[C@]2(C)C1 1101247771 RWDKRXQDADYERZ-VBQJREDUSA-N 321.421 -0.059 30 20 DBED CN(CCNc1ccc(C#N)nn1)C(=O)CCS(C)(=O)=O 1102039284 YJTGDCPCMMMWPD-UHFFFAOYSA-N 311.367 -0.347 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1CNC(=O)CNC(=O)C1CCOCC1 1102471837 UYOHXZMIQRQVHV-TZMCWYRMSA-N 322.409 -0.263 30 20 DBED CN(C(=O)CS(C)(=O)=O)[C@@H]1CCN(c2cncc(C#N)n2)C1 1102683933 NGTVPSLEMCXMOI-LLVKDONJSA-N 323.378 -0.570 30 20 DBED N#Cc1cnc(N2CCC(CCNC(=O)CC(N)=O)CC2)cn1 1103678905 SFWKTWPZFWOQNH-UHFFFAOYSA-N 316.365 -0.054 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)[C@H]1CCC(=O)N1 1103901527 FHPDFXJJGJATHG-VHSXEESVSA-N 302.338 -0.787 30 20 DBED CN(CCN(C)c1cnc(C#N)cn1)C(=O)Cc1nc[nH]n1 1105469989 GABZRSAPPKZUCQ-UHFFFAOYSA-N 300.326 -0.396 30 20 DBED N#Cc1cnc(NC[C@H](O)CNC(=O)[C@H]2CCCOC2)cn1 1105741672 ILJKSELIWOOEIG-JQWIXIFHSA-N 305.338 -0.336 30 20 DBED C=CCOCC(=O)NC[C@H](O)CNc1cc(COC)ncn1 1105747595 KEFSFLMWLBMXFO-GFCCVEGCSA-N 310.354 -0.285 30 20 DBED CO[C@@H](C(=O)NC[C@@H](O)CNc1cncc(C#N)n1)C1CC1 1105834398 YHQFNYJIBXYKLJ-WCQYABFASA-N 305.338 -0.338 30 20 DBED C=CCO[C@H](C)C(=O)NC[C@H](O)CNc1cnc(C#N)cn1 1105892316 VJPAZXNVERRXOA-ZYHUDNBSSA-N 305.338 -0.172 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)COC(C)C)C[C@H]1C 1105901170 IYURMRMENINTCO-ZIAGYGMSSA-N 309.410 -0.155 30 20 DBED Cc1ccc(C#N)c(NC[C@H](O)CNC(=O)Cc2nc[nH]n2)n1 1105957930 PZVPAQCAETYFBM-LLVKDONJSA-N 315.337 -0.489 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)[C@H](COC)OC 1106937635 DQACHEMXSPENSY-NSHDSACASA-N 307.354 -0.308 30 20 DBED CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H](CNCC(=O)NCC#N)C1 1107038662 CFFUBGUNCFCFPI-ZIAGYGMSSA-N 323.441 -0.350 30 20 DBED C[C@@]1(C(=O)NC/C=C/CN=c2cc[nH]c(C#N)n2)CCC(=O)N1 1107492195 ILFGBMMGJSDKDF-FAAWYNLUSA-N 314.349 -0.477 30 20 DBED C=CCOCC(=O)N[C@H](C)CN=c1cc[nH]c(C(=O)OC)n1 1107665328 WUERWRMTWCKSRU-SNVBAGLBSA-N 308.338 -0.196 30 20 DBED C[C@@H](C#N)C(=O)NC[C@]1(C)CN(CC(=O)NC2CC2)CCO1 1107822016 ZMVNQKFEKOIMTG-XHDPSFHLSA-N 308.382 -0.368 30 20 DBED C[C@@H](CNc1nccnc1C#N)NC(=O)[C@@H]1CN(C)CCO1 1108302729 CGJGJJUJGVTTCO-JQWIXIFHSA-N 304.354 -0.405 30 20 DBED C[C@@H](CNc1cnc(C#N)cn1)NC(=O)COCCN(C)C 1108453406 CCVWKXWVWYTRLU-NSHDSACASA-N 306.370 -0.157 30 20 DBED CC[C@@H](C)OCC(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1 1108533231 RKMKXBBJBBBYSQ-NEPJUHHUSA-N 308.382 -0.274 30 20 DBED CC(C)(C)C#CC(=O)N[C@H]1CC(=O)N(C2CN(CCO)C2)C1 1108545285 RNJZIGJUTMEWPX-LBPRGKRZSA-N 307.394 -0.571 30 20 DBED C#CCNC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cnn[nH]1 1110761355 SQEDJXISRFGJJX-WGBDABJCSA-N 316.365 -0.722 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@]1(O)CCN(c2cncc(C#N)n2)C1 1111041475 ISCKGMUPKVPBNR-HZMBPMFUSA-N 300.322 -0.435 30 20 DBED CC(C)OCC(=O)N(C)[C@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1111184633 XEFYMGFTBDWKJI-STQMWFEESA-N 319.365 -0.219 30 20 DBED N#Cc1cccnc1NCCN(CCO)C(=O)[C@@H]1COC(=O)N1 1111459671 DILCTWKHWMCAQA-NSHDSACASA-N 319.321 -0.706 30 20 DBED N#Cc1ccc(NCCN(CCO)C(=O)C2(C(N)=O)CC2)cn1 1111557825 ZVADYHODGWZCPY-UHFFFAOYSA-N 317.349 -0.548 30 20 DBED C#CCOCCC(=O)NC[C@H]1CN(c2ncccn2)C[C@H]1O 1112738914 SVMHUCBYBVDUAS-QWHCGFSZSA-N 304.350 -0.570 30 20 DBED CC(C)N1CCC[C@@H]1C(=O)N1CCN(CC(=O)NCC#N)CC1 1112837339 CVNDNTYUYCPLLB-CQSZACIVSA-N 321.425 -0.357 30 20 DBED C[C@H](NC(=O)CCNC(N)=O)[C@@H](C)Nc1nccnc1C#N 1113038989 OCLXLTAHZAFEHI-DTWKUNHWSA-N 305.342 -0.288 30 20 DBED COCC#CCN1CCN(C(=O)[C@H](C)[C@H]2CCC(=O)N2)CC1 1113365283 CVVDDTFIRFYEHH-ZIAGYGMSSA-N 307.394 -0.305 30 20 DBED C[C@H](CNC(=O)CN1CCCC1=O)N(C)c1cnc(C#N)cn1 1113488932 NKQKKGQUNDQZKN-LLVKDONJSA-N 316.365 -0.088 30 20 DBED CC(=O)N(C)CC(=O)NC[C@@H](C)N(C)c1cnc(C#N)cn1 1113498433 RRYNNWIZCSTTLL-SNVBAGLBSA-N 304.354 -0.233 30 20 DBED C[C@H](CNC(=O)COCCN(C)C)N(C)c1ccc(C#N)nn1 1113659371 UBUOTJTWCURHPE-GFCCVEGCSA-N 320.397 -0.133 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CCCNC1=O)N(C)c1ccc(C#N)nn1 1113743876 BZDQWTHQLFFSIZ-CMPLNLGQSA-N 316.365 -0.185 30 20 DBED C[C@H](CNC(=O)[C@H]1CN(C)C(=O)N1)N(C)c1ccc(C#N)cn1 1113802137 IGYCYGVFPYCMJL-ZYHUDNBSSA-N 316.365 -0.082 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1[C@@H]2CN(Cc3ocnc3C)C[C@@H]21 1114159996 PBTOGADZOGUJGP-ATCWAGBWSA-N 316.361 -0.331 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@@H]2CN(CCCOCC)C[C@@H]12 1114170380 PPLNTQFZLCLGNF-CHWSQXEVSA-N 307.394 -0.401 30 20 DBED C#CCCCC(=O)N[C@H]1[C@@H]2CN([C@@H](C)C(=O)NC(=O)NC)C[C@@H]21 1114201185 LCEZXVMRVAHDQN-CIQGVGRVSA-N 320.393 -0.320 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)[C@@H]3CCCNC3=O)[C@@H]2C1 1114433523 LGHDXVGHQUOMBB-JHJVBQTASA-N 305.378 -0.791 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)c3c(C)ncnc3O)[C@@H]2C1 1114721065 IWWHJWPSXBZTCD-VXGBXAGGSA-N 316.361 -0.200 30 20 DBED CNC(=O)NCC(=O)NCC1(NCC#CCOC)CCCCC1 1115564386 NPRWORPPKUUPDA-UHFFFAOYSA-N 324.425 -0.026 30 20 DBED C[C@H](CN(C)C(=O)Cn1cnnn1)Nc1nccnc1C#N 1115603714 VDLBUXASLTYBDW-SECBINFHSA-N 301.314 -0.706 30 20 DBED Cn1cccc1C(=O)NC[C@@H](CO)Nc1nccnc1C#N 1121068000 SEHYPDGGLUROEG-JTQLQIEISA-N 300.322 -0.110 30 20 DBED C#CCNC1CC2(C1)CC(NC(=O)CCCS(N)(=O)=O)C2 1121668570 VWSBJGKCZVGFST-UHFFFAOYSA-N 313.423 -0.295 30 20 DBED CN1CCC(C(=O)NC[C@H](CO)Nc2nccnc2C#N)CC1 1121719017 VXVSWTMQZJTGBI-GFCCVEGCSA-N 318.381 -0.421 30 20 DBED CCN(C)C(C)(C)C(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1 1122189957 KDYPPHGPVKANEM-NSHDSACASA-N 320.397 -0.611 30 20 DBED CN(C[C@H](O)CN(C)c1ccc(C#N)cn1)C(=O)c1cnon1 1125140382 YWPHCQAVFMXOMG-LLVKDONJSA-N 316.321 -0.094 30 20 DBED CN(CCOCCN=c1cc[nH]cc1C#N)C(=O)c1cnn[nH]1 1127514876 HHBZWPQINRKAHR-UHFFFAOYSA-N 315.337 -0.306 30 20 DBED C=C[C@@](C)(CCOC)C(=O)NCCNCCNS(C)(=O)=O 1131869786 JOEBKUNLXQSZLC-ZDUSSCGKSA-N 321.443 -0.530 30 20 DBED C=CCNC(=O)CNCCNC(=O)CCc1c(C)nn(C)c1C 1132033063 ZYDJYLVCNVGXNC-UHFFFAOYSA-N 321.425 -0.022 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)c2cc[nH]n2)CC[C@@H]1C 1132655061 HFKCZVAZMUULAA-QWHCGFSZSA-N 317.393 -0.153 30 20 DBED COCC#CCNC[C@H]1CN(C(=O)CCNC(N)=O)CC[C@H]1C 1133301896 MFWDCIROUGUEHP-KGLIPLIRSA-N 324.425 -0.231 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)[C@]2(C)CCNC2=O)C1=O 1133766386 CTFWGQNOPOCRGT-IAQYHMDHSA-N 308.382 -0.995 30 20 DBED C=CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)c1cc(=O)n(C)o1 1134219348 LQUNJNOIBOGKLQ-QWRGUYRKSA-N 324.381 -0.233 30 20 DBED N#CCNC(=O)CNCCNC(=O)[C@@H]1CCc2ccccc2O1 1135516327 NULUUWHZJGDRLG-AWEZNQCLSA-N 316.361 -0.274 30 20 DBED C[C@H](O)CN1CCCO[C@@H](CNC(=O)CSCC#N)C1 1149207340 LSZZQWZAFQLPBT-RYUDHWBXSA-N 301.412 -0.169 30 20 DBED C=CCN1CCCO[C@@H](CNC(=O)CCNS(C)(=O)=O)C1 1149804107 JMJGUSINASSLQJ-LBPRGKRZSA-N 319.427 -0.681 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1ccc(NC(N)=O)cc1 1150064607 TVWYPRJIIOKKGB-UHFFFAOYSA-N 318.337 -0.864 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1scnc1Cl 1151240086 UMRCXJOZWSUOHU-UHFFFAOYSA-N 301.759 -0.244 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)C(C)(C)NC(=O)NC 1152288064 QAGXPMQHYHBVOS-SNVBAGLBSA-N 313.402 -0.910 30 20 DBED C#CCN1CCC(C(=O)NCCNCc2ccnn2C)CC1 1152334328 AMUHDIUNHSXBAM-UHFFFAOYSA-N 303.410 -0.029 30 20 DBED C=CCO[C@H](C)C(=O)NCCNCc1cc(=O)n2nccc2[nH]1 1153134120 ABCVBLKIUXWHHS-LLVKDONJSA-N 319.365 -0.181 30 20 DBED C=CCOCC(=O)NCCCNCC(=O)NC[C@H]1CCOC1 1155712969 XHRUUJGVTSWHAY-CYBMUJFWSA-N 313.398 -0.562 30 20 DBED C[C@H](C#N)C(=O)NCCCNCc1nnnn1C1CCOCC1 1155842403 NGHFVJXPFUCVSY-LLVKDONJSA-N 321.385 -0.220 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)[C@@H]1COCCN1C 1156815788 DXAKPYLNXOQPDN-STQMWFEESA-N 312.414 -0.896 30 20 DBED CCNC(=O)NC(=O)[C@H](C)NCCCNC(=O)C#CC(C)C 1157633270 STXILFQNPQRYMC-LBPRGKRZSA-N 310.398 -0.024 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)[C@@H]1CCCN1CC#C 1160209829 XTOBTDULDLDTDP-GJZGRUSLSA-N 318.421 -0.682 30 20 DBED N#CCNC(=O)CNCCCNC(=O)[C@H]1CCc2cccnc21 1165238209 ZUZMYNAISMQQDO-ZDUSSCGKSA-N 315.377 -0.153 30 20 DBED C#CCNC(=O)CNCCCC[C@@H](C)NC(=O)CC(=O)NC 1170363502 OWQBFXDLUILCCF-GFCCVEGCSA-N 310.398 -0.864 30 20 DBED COCC#CCNCCCNC(=O)[C@H](C)CS(C)(=O)=O 1177069441 NSMPAGNTGXDQBW-GFCCVEGCSA-N 304.412 -0.587 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)CS(=O)(=O)CC)C[C@@H]21 1177150410 MEWMCUQNTFARJH-STQMWFEESA-N 314.407 -0.644 30 20 DBED C#CCNC(=O)CC(=O)NCCCCCCN[C@@H]1CCNC1=O 1178262359 JCDWZRZFWKIWJI-CYBMUJFWSA-N 322.409 -0.719 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)CCC(=O)NCC)[C@H]1C 1178336107 SDMRLCNVXYFRJF-STQMWFEESA-N 324.425 -0.216 30 20 DBED C#CCNC(=O)CNCCCCCCNC(=O)[C@@H]1[C@H]2COC[C@H]21 1179319657 JHOKBZDVRIHSMD-FOLVSLTJSA-N 321.421 -0.106 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)c2ccncn2)[C@H]1C 1179748916 PPFKHYWALYMZDT-AVGNSLFASA-N 315.377 -0.193 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)Cc2cnn(C)c2)C1 1181487940 OHVAUYTTXQNSOK-GXTWGEPZSA-N 319.409 -0.156 30 20 DBED C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@@]1(C)CNCC#N 1182598834 LWCBMTWRSLUTLL-NWJSVONSSA-N 308.382 -0.383 30 20 DBED CCS(=O)(=O)NCC(=O)N1CC[C@H](CNCC#N)[C@@H](C)C1 1184525908 ZUUYZCRMQQNNQC-NWDGAFQWSA-N 316.427 -0.477 30 20 DBED C=CCCNCc1cn([C@H]2CCCN(C(=O)CC(N)=O)C2)nn1 1185898238 CMYWQYJZLFSXMA-ZDUSSCGKSA-N 320.397 -0.017 30 20 DBED C=CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3nc[nH]n3)[C@@H]2C1 1189454216 UPISRLNAYQENPD-WDEREUQCSA-N 304.354 -0.747 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)CCn2ccnn2)C1 1192547833 URRAFMQBADSSBU-CHWSQXEVSA-N 309.370 -0.968 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@@H]1CCN(C(=O)Cc2cnc[nH]2)C1 1192558301 BQGMKRFVRONGEN-GXTWGEPZSA-N 317.393 -0.377 30 20 DBED CC#CCN(C)[C@H]1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)C1 1192879454 VPIKNTNOKKTBKT-ZDUSSCGKSA-N 318.377 -0.517 30 20 DBED C#CCN(C)[C@H]1CCN(C(=O)CNC(=O)C2CCOCC2)C1 1192918179 YFUSZVSWBAPKPO-AWEZNQCLSA-N 307.394 -0.305 30 20 DBED C#CCC1(C(=O)N[C@@H]2CN(Cc3nnnn3C)C[C@H]2O)CCC1 1193684890 FBLDITOEEROHEM-VXGBXAGGSA-N 318.381 -0.935 30 20 DBED COCC#CCN1CCCN(C(=O)[C@@H]2CCC(=O)N2C)CC1 1196816017 ZAPWMRUEAVCZNS-AWEZNQCLSA-N 307.394 -0.209 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCCN(C(=O)Cc2nc[nH]n2)CC1 1197767136 DBJQLGPCGUKIGT-GFCCVEGCSA-N 318.381 -0.981 30 20 DBED N#CCNC[C@H]1CN(C(=O)[C@H]2CCCCN2C(N)=O)CCCO1 1201823124 GKTYWHVLZKOXOR-QWHCGFSZSA-N 323.397 -0.350 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@@H](NC(=O)c2ncc[nH]2)C12CCC2 1202856779 MNGCTOMRHQQQGE-NWDGAFQWSA-N 315.377 -0.210 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)C[C@@H]2CCC(=O)N2)CC1 1202896096 MITNATCKHNVWRG-ZDUSSCGKSA-N 322.409 -0.462 30 20 DBED COC[C@H](C)CC(=O)N1CCC(NCC(=O)NCC#N)CC1 1203138813 RFURJWAGRNKNPU-GFCCVEGCSA-N 310.398 -0.121 30 20 DBED N#CCNC(=O)CN[C@@H]1C[C@H](NC(=O)c2cnco2)C12CCC2 1203231770 ULHJCQXJHGNUDB-NEPJUHHUSA-N 317.349 -0.055 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(CCN2CCNC2=O)C[C@H]1C 1206613907 JOMPYSZUHDHQQS-CHWSQXEVSA-N 310.398 -0.349 30 20 DBED N#CCNC(=O)CNCC1CCN(C(=O)c2ccncn2)CC1 1206650020 QIBJCFSDUVCDIO-UHFFFAOYSA-N 316.365 -0.442 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)c2cnn(CC)n2)C1 1207979303 LWGJNBLWOIWCRB-LBPRGKRZSA-N 318.381 -0.758 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC[C@H](NCc2nnn(C)n2)C1 1208018486 PNTDDXQAEOHAKV-RYUDHWBXSA-N 306.370 -0.671 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2CCC(=O)NC2)C1 1208473839 FMIYQPPXWPEIFL-CHWSQXEVSA-N 322.409 -0.605 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)c2cnon2)[C@H](C)C1 1209648787 GVJRITPGBOTKDA-CKYFFXLPSA-N 307.354 -0.190 30 20 DBED C=CCCN1C[C@@H](NC(=O)CC[C@H]2NC(=O)NC2=O)[C@H](C)C1 1210883066 LMRXNPFIFLIBCD-IJLUTSLNSA-N 308.382 -0.013 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)CC2(C)CC2)[C@H](OC)C1 1213195674 QSQXFWCRNPJXSG-CHWSQXEVSA-N 307.394 -0.259 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)c2c[nH]nc2C)[C@H](OC)C1 1213245975 KEYQPXUCESJSRA-CHWSQXEVSA-N 321.381 -0.551 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@H](OC)C2CC2)C[C@H]1C 1214539893 KXKGCUFBMGCFMG-UXIGCNINSA-N 307.394 -0.403 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CC(=O)NCC1CC1 1218941193 BXNBDDAMPPCSCU-LSDHHAIUSA-N 319.405 -0.162 30 20 DBED C=CCC(C)(C)C(=O)N[C@@H]1CN(Cc2nc(O)n[nH]2)C[C@@H]1O 1220434668 VYKNOLVUUSCKNG-ZJUUUORDSA-N 309.370 -0.226 30 20 DBED COCC#CCN1CC[C@@H]2CCN(C(=O)C3(C(N)=O)CC3)C[C@@H]21 1223393035 IKUAGGGWQIBJSY-KGLIPLIRSA-N 319.405 -0.176 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)c2ncccn2)CC1 1224911897 WCQKSIGBCRUGTH-UHFFFAOYSA-N 315.377 -0.332 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)Cc1cc[nH]n1 1225478686 VFSDBCKUARRERT-ZIAGYGMSSA-N 317.393 -0.281 30 20 DBED CCC[C@H](C(=O)NC1CCN(CC#N)CC1)S(N)(=O)=O 1228448384 GOLJFKBYZXZLAM-LLVKDONJSA-N 302.400 -0.452 30 20 DBED Cc1conc1C(=O)NC1CCN(CC(=O)NCC#N)CC1 1229895223 GOZKTJAFWSNZNT-UHFFFAOYSA-N 305.338 -0.183 30 20 DBED C=CCCC(=O)NCC[C@H]1CN(CC(N)=O)CCS1(=O)=O 1230437202 WSNUJCKTDUYPJZ-NSHDSACASA-N 317.411 -0.957 30 20 DBED CN(C[C@@H]1CCN1CC(=O)NCC#N)C(=O)CC[C@H]1CCOC1 1233580271 KDITXQIKDYVIDF-KBPBESRZSA-N 322.409 -0.024 30 20 DBED C[C@@H](CS(C)(=O)=O)NC(=O)NC1CCN(CC#N)CC1 1252746953 BGYIXMSKHGKUBU-JTQLQIEISA-N 302.400 -0.293 30 20 DBED C=C(C)CN(C)C(=O)C(=O)Nc1cc(C)n(CC(=O)NC)n1 1261759087 VZLAPIANZCODSX-UHFFFAOYSA-N 307.354 -0.089 30 20 DBED CNC(=O)[C@H](C#N)C(=O)c1ccc(S(=O)(=O)N(C)C)nc1 1263292683 OZPWXGXVBFXXIV-SECBINFHSA-N 310.335 -0.600 30 20 DBED N#CCCCCS(=O)(=O)NCCCN1C(=O)CNC1=O 1318358781 HXLWZQMKIIDGHM-UHFFFAOYSA-N 302.356 -0.458 30 20 DBED N#CCCCCS(=O)(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 1320753354 HYEKGWFJUOXUJN-VIFPVBQESA-N 300.340 -0.754 30 20 DBED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(C(N)=O)c(F)c1 1323507713 XTAKWCSFKYDYAP-UHFFFAOYSA-N 322.296 -0.719 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCc2nc(C)no2)C1=O 1325784694 MHLWXSWBINFLOF-JTQLQIEISA-N 321.337 -0.760 30 20 DBED CC(C)C(=O)NCCNC(=O)C(=O)Nc1cccc(C#N)n1 1326077594 MVYOYCGAPAILFF-UHFFFAOYSA-N 303.322 -0.220 30 20 DBED CN(CCC#N)S(=O)(=O)N1CCC(OCCCN)CC1 1326188221 JEIKEXYJPXSUKK-UHFFFAOYSA-N 304.416 -0.094 30 20 DBED CC#CC[C@@H](CO)NC(=O)C(=O)Nc1c(C(=O)OC)cnn1C 1329302491 JMGCBFXEZZEECI-VIFPVBQESA-N 322.321 -0.964 30 20 DBED N#CCN1CCC(NC(=O)N2CC(N3CCCC3=O)C2)CC1 1333711746 UTYDPHIINUTJCF-UHFFFAOYSA-N 305.382 -0.009 30 20 DBED CCOC[C@H]1CN(C(=O)C(=O)N2CC[C@](F)(C#N)C2)CCO1 1335087503 ZRCMJBTXRZQZSH-RISCZKNCSA-N 313.329 -0.286 30 20 DBED C#CCSCCNC(=O)C(=O)N1CCC[C@H]1C(=O)NC1CC1 1342541567 TVQGJEOCBIUYGW-LBPRGKRZSA-N 323.418 -0.261 30 20 DBED CO[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@](O)(CC#N)C2)C1(C)C 1345879666 KQSCWFWLMXYYSF-UEKVPHQBSA-N 309.366 -0.207 30 20 DBED CO[C@H](C)CCC(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1 1346065238 POSSWQFUYJGTTK-MNOVXSKESA-N 316.379 -0.233 30 20 DBED N#CCOc1ccc(CNC(=O)C(=O)N[C@H]2CCNC2)cc1 1347062394 FYALVDDXENAMIU-LBPRGKRZSA-N 302.334 -0.317 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)N[C@H]2CCOC3(CCC3)C2)CCO1 1347083744 CIIPYDPRDSXFQO-RYUDHWBXSA-N 307.350 -0.045 30 20 DBED N#CC[C@@H](C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1O)c1ccccc1 1363498738 QNGSEBJHQIGERV-JHJVBQTASA-N 308.359 -0.042 30 20 DBED C=C(Cl)CN1CC[C@](O)(CNC(=O)[C@H](C)NC(N)=O)C1 1368265422 NRWUXHNLTFKPDF-CABZTGNLSA-N 304.778 -0.651 30 20 DBED C[C@H](CN(C)C(=O)CN1CCCNC1=O)NC(=O)[C@H](C)C#N 1382098108 VGZSSKRBMZWMJT-GHMZBOCLSA-N 309.370 -0.476 30 20 DBED CC(=O)N[C@H](C)C(=O)NC[C@H](C)NC(=O)c1cc(C#N)c[nH]1 1386638422 ZXYDBARPTYCKRI-DTWKUNHWSA-N 305.338 -0.355 30 20 DBED C[C@@H](CNC(=O)[C@@H](C)C#N)NC(=O)CCC(=O)N1CCOCC1 1387085083 KAFQQVNZERCXNS-RYUDHWBXSA-N 324.381 -0.594 30 20 DBED N#Cc1ccc(S(=O)(=O)NCC(=O)Nn2ccnn2)cc1 1412159506 ORDVLWQXADCHOW-UHFFFAOYSA-N 306.307 -0.802 30 20 DBED CC(=O)N[C@@H](C)C(=O)NC1CN(C(=O)c2cc(C#N)c[nH]2)C1 1415970749 YASDARMHDBNWRF-QMMMGPOBSA-N 303.322 -0.648 30 20 DBED C=C(Cl)CN(C)C[C@H](C)NC(=O)Cn1cnc(C(N)=O)n1 1420569459 NBQRECLPZSINJY-VIFPVBQESA-N 314.777 -0.434 30 20 DBED COC[C@H](OC)C(=O)N1CC2(CCN(C(=O)[C@@H](C)C#N)C2)C1 1428606728 RRYLKKNPAJGOGQ-RYUDHWBXSA-N 309.366 -0.132 30 20 DBED C[C@@H]1[C@@H](CO)CCN1C(=O)CCn1cc(C#N)c(O)nc1=O 1433946792 GBPODHKIERYRSG-NXEZZACHSA-N 306.322 -0.560 30 20 DBED C[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N1CC[C@](O)(CC#N)C1 1434833580 PISIZCQWLFCDCE-JFGNBEQYSA-N 301.368 -0.520 30 20 DBED CC(C)OCC(=O)NC[C@H](O)CNC(=O)c1ccc(C#N)[nH]1 1452314691 VILBQOBAFXNZHG-NSHDSACASA-N 308.338 -0.482 30 20 DBED CCC[C@H](O)CCNC(=O)CCn1cc(C#N)c(O)nc1=O 1456583601 ODBRAGLSCNPHRY-NSHDSACASA-N 308.338 -0.122 30 20 DBED CC(C)CS(=O)(=O)NCCn1cc(C#N)c(O)nc1=O 1464107616 ACIYCYQLEXULKQ-UHFFFAOYSA-N 300.340 -0.604 30 20 DBED C[C@H](O)CN1CCN(CCN(C)C(=O)c2cc(C#N)c[nH]2)CC1 1481468335 YRGFYGFQHBXAQE-ZDUSSCGKSA-N 319.409 -0.043 30 20 DBED CCS(=O)(=O)NCCN1CC(CNC(=O)[C@@H](C)C#N)C1 1494536906 CPSYKVJZIBDXNT-JTQLQIEISA-N 302.400 -0.867 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](C)CCNC(=O)CN1CCC(=O)NC1=O 1495717143 ZNLHGDNGWXDIQK-VHSXEESVSA-N 323.353 -0.901 30 20 DBED Cn1nncc1C(=O)NC[C@@H](O)CNCc1ccc(C#N)s1 1496976374 NMJKEBWTEUXACX-VIFPVBQESA-N 320.378 -0.371 30 20 DBED CCn1nc(C(=O)N(C)CCN(C)C(=O)[C@H](C)C#N)ccc1=O 1533034850 ZVZRBLPDGCUEDL-LLVKDONJSA-N 319.365 -0.047 30 20 DBED Cc1c(-c2nn[nH]n2)c(=O)n(Cc2cccc(C#N)c2)c(=O)n1C 1570929940 CJGUREIYBXFJTE-UHFFFAOYSA-N 323.316 -0.045 30 20 DBED N#Cc1cn(CCC(=O)NCC2(C(=O)O)CCC2)c(=O)nc1O 1574248557 KTJKJRBQAXPAME-UHFFFAOYSA-N 320.305 -0.418 30 20 DBED C=CCn1cc(C(=O)N(C)[C@H]2CCN(Cc3cnn[nH]3)C2)nn1 1575112509 UAKKYMGADHWMDW-LBPRGKRZSA-N 316.369 -0.071 30 20 DBED CCN(CCN[C@H](C)C(=O)NCc1cnn[nH]1)C(=O)[C@@H](C)C#N 1576537974 NUXAHJFOONIYOS-WDEREUQCSA-N 321.385 -0.593 30 20 DBED N#Cc1nc(N2CC3(CCNC(=O)O3)C2)cnc1-c1nn[nH]n1 1592705060 UGEIWBAOVQRMCO-UHFFFAOYSA-N 313.281 -0.783 30 20 DBED C#C[C@H]1CC[C@H](NC(=O)C(=O)N2CCO[C@H](C(=O)O)C2)CC1 1602704505 IMDMIOWRZDSNPZ-SRVKXCTJSA-N 308.334 -0.393 30 20 DBED CN(CC(C)(C)C#N)C(=O)C(=O)N1C[C@@H](O)C[C@@H](C(=O)O)C1 1606088954 SSOUPGHVVKFCIN-ZJUUUORDSA-N 311.338 -0.711 30 20 DBED Cn1cc(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[nH]2)ccc1=O 1606230547 TZVNAYYDWCNAOQ-UHFFFAOYSA-N 311.265 -0.588 30 20 DBED N#C[C@@H]1CNC[C@@H]1NC(=O)c1cccc(CS(N)(=O)=O)c1 1649851784 SCTLDVBKSWCUCS-NEPJUHHUSA-N 308.363 -0.684 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CCCCN2CC)C1 1690688854 KBPZQHFSPKKNAW-LSDHHAIUSA-N 320.437 -0.199 30 20 DBED C=C(C)CN(CC)C(=O)CN1C[C@@H]2C[C@H]1CN2C(=O)CC(N)=O 1753419431 MXXQFCQEHJVWKP-STQMWFEESA-N 322.409 -0.429 30 20 DBED C=CCNC(=O)CNC[C@@H](C)N(C)C(=O)[C@@H]1CN(C)CCO1 1753687239 JOZXYLSJKQOLPR-OLZOCXBDSA-N 312.414 -0.944 30 20 DBED C#CCNC(=O)CNC[C@H]1[C@@H](C)CCCN1C(=O)CCOC 1753803626 PLOVPWCQZWZFMU-KBPBESRZSA-N 309.410 -0.011 30 20 DBED COCC(=O)N(C)CC(=O)N1CC[C@H]2[C@@H](CCN2CC#N)C1 1753873929 WLGVPYYFHGBQIS-STQMWFEESA-N 308.382 -0.462 30 20 DBED C#CCO[C@H](C)C(=O)NC/C=C/CN[C@H](C)C(=O)NC(=O)NC 1754120776 WFMBRHOIAASSHK-BYAJROORSA-N 324.381 -0.869 30 20 DBED CC(C)C#CC(=O)N[C@@H](C)CNCC(=O)NC[C@@H]1CCOC1 1754266044 FUVIFRQALSMNHK-KBPBESRZSA-N 309.410 -0.107 30 20 DBED C[C@H]1C[C@@H](NCC(=O)NCC#N)CCN1C(=O)c1ncc[nH]1 1754592811 HDHBDLDOACEEAQ-QWRGUYRKSA-N 304.354 -0.368 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@](C)(NC(=O)Cc2cc[nH]n2)C1 1754671619 OMKRCYIVDVCKHD-WBMJQRKESA-N 317.393 -0.329 30 20 DBED C#CCN1CCC[C@](C)(CNC(=O)c2nnc(O)nc2O)C1 1754735419 BQRAYABEGNOLGR-CQSZACIVSA-N 305.338 -0.252 30 20 DBED C#CCCN1CC[C@@](O)(CNC(=O)[C@H]2CCCN(C(N)=O)C2)C1 1754752232 DMJMZCWDRFRTMF-XJKSGUPXSA-N 322.409 -0.647 30 20 DBED C=CCOCCN1CC(O)(CNC(=O)[C@H](C)n2cncn2)C1 1754773994 JGZJHJNHKXMQEO-LBPRGKRZSA-N 309.370 -0.795 30 20 DBED CC#CCNCCN(CCO)C(=O)CCn1ccccc1=O 1754883018 AWKYLBNMKSZRML-UHFFFAOYSA-N 305.378 -0.328 30 20 DBED CC#CCCCC(=O)NC[C@H]1COCCN1Cc1nnn(C)n1 1754970108 NDTHOMXFCRQWAN-ZDUSSCGKSA-N 320.397 -0.279 30 20 DBED C#CCNC(=O)CN1CCC[C@@H](NC(=O)[C@@]23COC[C@@H]2C3)CC1 1755025240 QPGOGLFTPARNRF-VBQJREDUSA-N 319.405 -0.257 30 20 DBED CNC(=O)NC(=O)CNCC1CC(NC(=O)C#CC2CC2)C1 1755210250 XIISPWWWGNVQES-UHFFFAOYSA-N 306.366 -0.660 30 20 DBED C#CCCN[C@@H]1CCN(C(=O)CCc2nnc(O)nc2O)[C@@H]1C 1755656560 PYSXOAKCLLXKSW-GHMZBOCLSA-N 319.365 -0.182 30 20 DBED CC(=O)N[C@H](C(=O)N(C)C[C@@H](O)CN(C)CC#N)C(C)(C)C 1755808059 NTDZFXJVUUKYAI-QWHCGFSZSA-N 312.414 -0.188 30 20 DBED C=CCOCC(=O)NC1CC(CNC(=O)c2cn(C)nn2)C1 1755931426 XKNUDSVSUBLMMW-UHFFFAOYSA-N 307.354 -0.358 30 20 DBED C=CCCOCC(=O)N1CC(CCO)(NC(=O)c2cc[nH]n2)C1 1756077043 SKCNYIHXFUQQMZ-UHFFFAOYSA-N 322.365 -0.304 30 20 DBED C=C(C)CCC(=O)N1CC([C@@H](C)NC(=O)Cn2cnnn2)C1 1756127110 PVAXGYAAZZHXSB-LLVKDONJSA-N 306.370 -0.008 30 20 DBED C[C@H](C#N)C(=O)NCCOCCCNC(=O)[C@H]1CCC(=O)NC1 1756401358 HWUFWLMEWARGLE-NEPJUHHUSA-N 324.381 -0.689 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H](CO)CNC(=O)C=C(C)C 1756502072 FYVLMLOVVAMBHQ-KBPBESRZSA-N 307.394 -0.357 30 20 DBED C[C@H](C(=O)NC[C@H](CO)NC(=O)CSCC#N)n1cccc1 1756513083 AFJLMXXNLDNLED-VXGBXAGGSA-N 324.406 -0.101 30 20 DBED C#CCOCCC(=O)N1C[C@H](NC(=O)c2nc[nH]n2)C[C@H]1C 1756590641 UIGUZRRKGUDLHG-GHMZBOCLSA-N 305.338 -0.436 30 20 DBED C=CCOCC(=O)N[C@@H]1CCC[C@H]2CN(C(=O)CC(N)=O)C[C@@H]21 1756618972 IIGSKXAGYMDFKF-RWMBFGLXSA-N 323.393 -0.192 30 20 DBED C[C@H](CC(N)=O)C(=O)N1C[C@@H](O)[C@H](NC(=O)C#CC(C)(C)C)C1 1756993452 BRUCKZWINQGHQM-IJLUTSLNSA-N 323.393 -0.765 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(C(=O)CC(=O)NCC)C[C@@H]1O 1757169078 MFNGFLXSPVXTKA-NEPJUHHUSA-N 309.366 -0.996 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(C(=O)c2[nH]ccc2C)C[C@@H]1O 1757173656 FFJWCNWICZZJGE-OLZOCXBDSA-N 319.361 -0.335 30 20 DBED C=CC(C)(C)CC(=O)N1C[C@H](O)[C@H](NC(=O)Cc2nc[nH]n2)C1 1757214324 DPNABWOKTQOEOP-MNOVXSKESA-N 321.381 -0.363 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)NC[C@@H]1CC(=O)N(C2CC2)C1 1771690400 VWKLMHFYYRKLGF-QWRGUYRKSA-N 314.411 -0.077 30 20 DBED C#CCCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(O)O 1792800300 JVDUAWVSJQNKLK-DABQJJPHSA-N 324.377 -0.920 30 20 DBED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)CN)C1 1842875772 QMRPSHPYPJQEAW-PLNGDYQASA-N 306.366 -0.993 30 20 DBED CCS(=O)(=O)N1CCN([C@@H](C)C(=O)N(C)CCC#N)CC1 52113696 ARNQGNOXQPGBFU-LBPRGKRZSA-N 316.427 -0.286 30 20 DBED Cn1c(NC[C@@H](O)COCC2CC2)c(C#N)c(=O)n(C)c1=O 60320225 IPIMULGIUOVFLR-SNVBAGLBSA-N 308.338 -0.845 30 20 DBED CNC(=O)CN1CCN(c2ncc([N+](=O)[O-])cc2C#N)CC1 70791760 UBDAYYAKZTYXPB-UHFFFAOYSA-N 304.310 -0.271 30 20 DBED C[C@H](CC#N)N(C)CC(=O)N1CCN(CC(=O)N(C)C)CC1 161726821 NUVJCWFYRLOVLV-CYBMUJFWSA-N 309.414 -0.547 30 20 DBED C=CCN(CC=C)S(=O)(=O)c1cnc2[nH]c(=O)[nH]c(=O)c2c1 175325264 DYZUMHSFBKLVIA-UHFFFAOYSA-N 322.346 -0.026 30 20 DBED C=CCNC(=O)CN(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 247322477 ISESRZNOFNYZSI-STQMWFEESA-N 316.423 -0.043 30 20 DBED CC[S@](=O)[C@@H]1CCC[C@H](N/C(=N/C)NCC(=O)NC)C1 261653158 FGDIBIQWILFJKO-JHTDMNASSA-N 302.444 -0.023 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCCC[C@@H]2[C@@H](C)N)C1=O 262747409 KZYWPEHMBQICHH-GHMZBOCLSA-N 322.365 -0.309 30 20 DBED C=CCN1CCC(NC(=O)NCCN2C(=O)CNC2=O)CC1 265117161 YLOLDKZJZUIPSC-UHFFFAOYSA-N 309.370 -0.512 30 20 DBED Cn1c(NCC[S@@](=O)C(C)(C)C)c(C#N)c(=O)n(C)c1=O 265325982 KKIFDABVKSBSPP-OAQYLSRUSA-N 312.395 -0.085 30 20 DBED C=CCN1CC[C@H](N(C)CCC(=O)N2CCN(C)CC2)C1=O 282572419 VGYCWZVQBQXFNP-AWEZNQCLSA-N 308.426 -0.131 30 20 DBED CS(=O)(=O)N1CCC[C@@H](/N=C(/O)N[C@@H]2[C@H]3COC[C@H]32)C1 329946201 GFUQHWAVSUBIKW-ZNSHCXBVSA-N 303.384 -0.441 30 20 DBED CNC(=O)N[C@H]1CCN(S(=O)(=O)N(C)C[C@@H](C)C#N)C1 336946071 NZNLDTOAWJCOPV-UWVGGRQHSA-N 303.388 -0.674 30 20 DBED COCCCS(=O)(=O)NCC(=O)N1CCSC[C@@H]1C#N 342227032 WDOPSTDFURMCJJ-JTQLQIEISA-N 321.424 -0.590 30 20 DBED C=CCN(C)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O 343047703 ODIRMMZUSGJSBE-GCDPNZCJSA-N 321.337 -0.940 30 20 DBED C[C@H](CC#N)N(C)C(=O)Cn1ccc2c(=O)n(C)c(=O)n(C)c21 362603756 VYFUSJIZQRNBPR-SNVBAGLBSA-N 317.349 -0.201 30 20 DBED N#CCNC(=O)CNC(=O)N[C@@H]1CC(=O)N(c2ccccc2)C1 376288150 GJHLOEYNWHWDQJ-LLVKDONJSA-N 315.333 -0.269 30 20 DBED CC(C)N=c1[nH]c(=NCCO)[nH]c(=NCC2(C#N)CCC2)[nH]1 419021090 LXCCKBKOQLBUNE-UHFFFAOYSA-N 305.386 -0.532 30 20 DBED C=CCN(CCOC)C(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C 420064549 OSWTUSRQSRADQE-VXGBXAGGSA-N 313.398 -0.123 30 20 DBED CC1(C)CCCN[C@H]1CNC(=O)C(=O)N1CCO[C@@H](C#N)C1 420158311 HEKBYHFXWHMOFW-RYUDHWBXSA-N 308.382 -0.368 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCNC[C@@H]2C)C1=O 432510315 QAXPUKMMOZYWAX-UWVGGRQHSA-N 308.338 -0.923 30 20 DBED CCOC(=O)N1CCN(C(=O)CN2CCO[C@H](C#N)C2)CC1 491245806 YKMZFZYMYZHKMH-GFCCVEGCSA-N 310.354 -0.489 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2ncccc2C)CC1 491624744 KVNKNUOVDLTZJJ-UHFFFAOYSA-N 300.362 -0.103 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)Cc2cc(C)no2)CC1 491683464 YZPDRTYBLUXRBA-UHFFFAOYSA-N 304.350 -0.581 30 20 DBED C[C@H](C#N)CNC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cnn(C)c1 527452669 SJPIDPCLGQXWCU-JIMOISOXSA-N 305.338 -0.406 30 20 DBED COCCN1CN(C(=O)C(=O)Nc2cccc(C#N)n2)CC1=O 563106334 LNNNEEZYQJTYGQ-UHFFFAOYSA-N 317.305 -0.834 30 20 DBED CC(=O)NCCN(C)C(=O)CNC(=O)c1ccc(C#N)cc1 571449522 UQJGTSHVZFIYFC-UHFFFAOYSA-N 302.334 -0.117 30 20 DBED CN(C)S(=O)(=O)N(C)CC(=O)NCC#Cc1ccccc1 572508135 UFOSTWJABUOPTE-UHFFFAOYSA-N 309.391 -0.108 30 20 DBED CCN1CCC[C@@H]1CN1C[C@@H](C(=O)NCC#CCO)CC1=O 577160204 LGDHYCKDUFTNRB-UONOGXRCSA-N 307.394 -0.569 30 20 DBED CNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CC[C@H](C#N)C2)CC1 596635750 FHLOIIYRPNASJS-WDEREUQCSA-N 315.399 -0.530 30 20 DBED CCn1nncc1CNS(=O)(=O)N(CCC#N)CCOC 599360973 YPNDXMIYOWVGBP-UHFFFAOYSA-N 316.387 -0.506 30 20 DBED N#CCCN1CCN(C(=O)C(=O)N(CCCCO)C2CC2)CC1 601457345 QUSJMEUAWBNNRN-UHFFFAOYSA-N 322.409 -0.192 30 20 DBED C=C[C@@](C)(O)C(=O)N1CCN(S(=O)(=O)CCCOC)CC1 612673687 JXCSDCGNJRUOKK-CYBMUJFWSA-N 320.411 -0.566 30 20 DBED COc1cc(C#N)ccc1NC(=O)C(=O)N1C[C@@H](O)C[C@@H]1CO 615403200 KDBPXHURDSSYCO-MNOVXSKESA-N 319.317 -0.541 30 20 DBED C=CCn1cc(CNS(=O)(=O)N(C)C2CCNCC2)nn1 631946488 BVVOLGJRXHIRSW-UHFFFAOYSA-N 314.415 -0.518 30 20 DBED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N(CCO)CCOCCO 637117367 QBLMGHBHCIADDS-ZIAGYGMSSA-N 316.398 -0.020 30 20 DBED C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCO[C@@H](C(=O)O)C1 644202704 XCYXBWTWDCFTLW-GARJFASQSA-N 312.322 -0.994 30 20 DBED CC#CC[C@@H](CO)NC(=O)Nc1ccn(CC(=O)N(C)C)n1 646254201 YHMJLCJGDAWRJK-NSHDSACASA-N 307.354 -0.133 30 20 DBED CC#CC[C@H](CO)NC(=O)C(=O)N=c1cc2n([nH]1)CCCC2 646950650 FBRYBTMPTKWNHT-LLVKDONJSA-N 304.350 -0.530 30 20 DBED C=CC(C)(C)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 648178842 MFPLPQLXQYEAJF-UHFFFAOYSA-N 303.428 -0.108 30 20 DBED C#CCCCOC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 727040734 GVRDQYHMGPPZPO-RYUDHWBXSA-N 313.375 -0.021 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)c1ccc2c(c1)C(=O)NC2=O 732339984 OHHLECVQBCPNAI-QMMMGPOBSA-N 300.270 -0.135 30 20 DBED C#CCOc1ccc(F)cc1NC(=O)C(=O)N(C)CC(N)=O 743893200 QBNVNIVWXBSSCR-UHFFFAOYSA-N 307.281 -0.280 30 20 DBED CNC(=O)[C@H](O)CNS(=O)(=O)c1c(F)cc(C#N)cc1F 757725364 JMIIGVHYUPMQIP-SECBINFHSA-N 319.289 -0.778 30 20 DBED C=CCN1CC(=O)N(CCNS(=O)(=O)NC(C)C)C1=O 762396837 KUQCQGRQLSAHRM-UHFFFAOYSA-N 304.372 -0.731 30 20 DBED C=C(CN(C)C)C(=O)N1CCN(C(=O)C(=O)NC(C)C)CC1 764355528 ZWUCMHQYTIMWEA-UHFFFAOYSA-N 310.398 -0.700 30 20 DBED C=CCNC(=O)NC(=O)CN[C@]1(CC(=O)OC)CCCOC1 770691119 FIHYDAZPWMEXOL-AWEZNQCLSA-N 313.354 -0.300 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)OCCC2OCCO2)C1=O 781175034 HTQOOOGKBYKWGK-UHFFFAOYSA-N 312.278 -0.731 30 20 DBED C=CCS(=O)(=O)CCNC(=O)NCCCN1CCOCC1 783164084 LVYDNOAOMXGCGR-UHFFFAOYSA-N 319.427 -0.391 30 20 DBED COC(=O)C[C@H](NS(=O)(=O)N1CCO[C@@H](C#N)C1)C1CC1 800076548 QXVVPPJCNZIFLB-QWRGUYRKSA-N 317.367 -0.613 30 20 DBED C#C[C@@H](NC(=O)C(=O)NCc1cnn(C)c1C)[C@@H]1CCCO1 805699573 MUPCCRJXJCTRQE-OLZOCXBDSA-N 304.350 -0.358 30 20 DBED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCOCCN2)cc1 854691996 FKPDIDJNTKWBBA-UHFFFAOYSA-N 323.374 -0.425 30 20 DBED C#CC1(O)CN(C(=O)CCNS(=O)(=O)c2ccccc2)C1 890519143 GPABONDHOLMDIE-UHFFFAOYSA-N 308.359 -0.439 30 20 DBED N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCOCN2)cc1 928952169 PEFUERWKFMQZAV-UHFFFAOYSA-N 309.347 -0.206 30 20 DBED Cc1nn(C)cc1C1=NO[C@@H](C(=O)N2CCOC[C@H]2C#N)C1 933560314 SBEQBYZUCWBZNG-ZWNOBZJWSA-N 303.322 -0.028 30 20 DBED C[C@H](C#N)C(=O)N1CCCN(C(=O)[C@@H]2CCN(C)C2=O)CC1 941983242 GJRIGKDHTCTMMM-VXGBXAGGSA-N 306.366 -0.315 30 20 DBED C#CCCN1CC[C@H](NC(=O)CN2CCNC(=O)C2)[C@@H](C)C1 942560132 LIPSCNQLUGEGSW-KBPBESRZSA-N 306.410 -0.732 30 20 DBED CO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1NC(=O)c1ccnnc1 946940525 STVWRDNIALFXOY-YUSALJHKSA-N 303.322 -0.408 30 20 DBED C#CCN1CCC[C@@H](N(C)C(=O)c2nnc(O)nc2O)CC1 948591179 RIRDOCLXTLPZBQ-SNVBAGLBSA-N 305.338 -0.158 30 20 DBED CN(C(=O)c1cc(=O)n(C)cn1)C1CN(C(=O)C#CC2CC2)C1 954633203 YRMOEUWHCUXPJC-UHFFFAOYSA-N 314.345 -0.524 30 20 DBED C=CCN1CC[C@H](N2CCN(C(=O)[C@@H]3CCN(C)C3)CC2)C1=O 957648937 BBYHAKIGMXIGQT-CABCVRRESA-N 320.437 -0.131 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2nccn3cc(C)nc23)C1 958576529 BKWPUEGUQMMCCX-OLZOCXBDSA-N 313.361 -0.307 30 20 DBED CC#CCN1C[C@H]2[C@H](NC(=O)CN3C(=O)CC(C)(C)C3=O)[C@H]2C1 959916092 XKGCRPFSFNHFJD-JYAVWHMHSA-N 317.389 -0.159 30 20 DBED CC#CCN1C[C@@H]2C(NC(=O)C3CC4(C3)CS(=O)(=O)C4)[C@H]2C1 960546508 IKEPXMKOGUZPRY-STQMWFEESA-N 322.430 -0.119 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)c1cnn(C)c1N 964154845 GNRNTRLZSFGTIX-ZJUUUORDSA-N 320.353 -0.881 30 20 DBED Cc1cc(C(=O)NC[C@H]2COCCN2C(=O)[C@@H](C)C#N)cnn1 964180685 QZFVHOMRHOPMPW-GWCFXTLKSA-N 317.349 -0.098 30 20 DBED C=C[C@](C)(CC)C(=O)N1CC2(CN(C(=O)C(N)=O)CCO2)C1 965474666 UIZDJBZMXOYDSU-CQSZACIVSA-N 309.366 -0.486 30 20 DBED C#CCCN1CC[C@@H](C)[C@@H](NC(=O)CN2CCN(C)C(=O)C2)C1 967036213 VTOOOHRZNBGKPC-CABCVRRESA-N 320.437 -0.390 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)Cc2ncccc2F)C1 969963671 ALCHWWIVBCZZTQ-BIMULSAOSA-N 320.324 -0.389 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)CN2CCC(C)(C)C2)C1 970654028 OTBWFHIWFDRFSW-XQQFMLRXSA-N 322.409 -0.434 30 20 DBED C#CCN(C)[C@@H]1CCN(C(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 972050456 WCUVQOUCJBGUOY-LLVKDONJSA-N 314.353 -0.527 30 20 DBED C[C@H](C(N)=O)N1CCO[C@@]2(CCN(C(=O)C#CC3CC3)C2)C1 972381516 NLNWWNVITYCHHI-WBMJQRKESA-N 305.378 -0.423 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3CCNC3=O)C2)c1 973148858 IHUMUQPMUIEUMD-DCAQKATOSA-N 315.333 -0.601 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCC1[C@H]2CN(CC(=O)NC)C[C@H]12 978282490 NRZIVIGEGNEBCH-KFWWJZLASA-N 318.421 -0.876 30 20 DBED C#CCN1CCCN(C(=O)Cn2nc3ccccn3c2=O)CC1 981720639 JXFJMWBZYUFMNI-UHFFFAOYSA-N 313.361 -0.337 30 20 DBED O=C(NC[C@@H]1CCN(C(=O)C#CC2CC2)C1)c1c[nH]c(=O)cn1 982740930 BGPSGWZDOZKSME-LBPRGKRZSA-N 314.345 -0.238 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)C(=O)N2CCC[C@@H](C)C2)C1 991636813 UGPGLQMKYCDXFU-MNOVXSKESA-N 306.366 -0.268 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)[C@@H]3CNC(=O)N3)C2)cc1 997335113 PEGHRWCMQMHWFR-ZDUSSCGKSA-N 312.329 -0.710 30 20 DBED C=CCN[C@@H]1CCCN(C(=O)[C@@H]2CCN(C)S2(=O)=O)C1 1000427211 MOTVDKQCSGJYEA-NEPJUHHUSA-N 301.412 -0.213 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H]2[C@@H]3CN(C(=O)CC(N)=O)C[C@H]23)c1 1008925325 WYTXESBLTZXBSL-RTCCRHLQSA-N 315.333 -0.804 30 20 DBED Cn1ncc(C(=O)NCC2[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]23)n1 1009251789 BGXVDNSAFVFJRN-STQMWFEESA-N 313.361 -0.337 30 20 DBED CC(=O)N1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H](C)C#N)CC1 1011816903 ZEVUJUQHEBOHGH-YPMHNXCESA-N 306.366 -0.172 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2CC[C@H](NC(=O)C(N)=O)C2)nc1 1015549423 GCBVZMIWLUHLFI-RYUDHWBXSA-N 314.345 -0.437 30 20 DBED C[C@@H](C#N)C(=O)N1CCCO[C@H](CNC(=O)c2cn[nH]c2)C1 1019539791 UKGGQLDPDLUYRW-CMPLNLGQSA-N 305.338 -0.083 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)[C@H]2CCC(=O)N2C)[C@@H]1C 1020537629 YSGSLKWOGGDGJS-FIQHERPVSA-N 306.366 -0.128 30 20 DBED N#CCN[C@H]1C[C@@H](NC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1 1022704308 ZVPCRDVAXIBLES-RFQIPJPRSA-N 320.393 -0.083 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2cscn2)C1 1023749305 AXJUYVRCBUPNHD-FBIMIBRVSA-N 308.363 -0.467 30 20 DBED CCOc1cc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2O)[nH]n1 1024314493 KHWQAUXEMUZINX-FBIMIBRVSA-N 321.337 -0.730 30 20 DBED CN1C(=O)CN(CC(=O)N2C[C@@H]3CC[C@H](NCC#N)[C@H]3C2)C1=O 1026396571 GEXFKLQFLGPZPS-SRVKXCTJSA-N 319.365 -0.769 30 20 DBED CC#CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCc2nnnn2CC1 1032639322 BAPRUFFTFXFDKJ-RDBSUJKOSA-N 314.393 -0.066 30 20 DBED C#CCOc1ncccc1C(=O)N(C)[C@@H]1CCN(CC(N)=O)C1 1033591148 TZJIDSCKMZHNKX-GFCCVEGCSA-N 316.361 -0.275 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H]1CN(CC#CC)CCO1 1035399343 AVHIRMCTSFGKEX-HOTGVXAUSA-N 303.406 -0.076 30 20 DBED C=CCN1CCO[C@@H](CNC(=O)[C@@H]2CCCCN2C(N)=O)C1 1035571776 JGVZUPUEDHPKCU-STQMWFEESA-N 310.398 -0.077 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)Cc2ccnn2C)C1 1039585277 PRQSNLCVFZKSGE-NHYWBVRUSA-N 319.365 -0.798 30 20 DBED CC(C)C#CC(=O)NC[C@@]1(O)CCN(C(=O)Cc2cnoc2)C1 1039665384 KXRFKGXEGSKGKD-INIZCTEOSA-N 319.361 -0.044 30 20 DBED O=C(C#CC1CC1)NC[C@@]1(O)CCN(C(=O)[C@H]2CCOC2)C1 1039677416 HRUACUDHYNNUES-BBRMVZONSA-N 306.362 -0.484 30 20 DBED Cc1cn(C)nc1C(=O)NC[C@@]1(O)CCN(C(=O)[C@H](C)C#N)C1 1039694894 MUYMTVCSVOZORL-BMIGLBTASA-N 319.365 -0.419 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@]1(O)CCN(C(=O)CCOC)C1 1039721341 JWLUORHRCKVVFV-IUODEOHRSA-N 312.366 -0.859 30 20 DBED C#CCCCC(=O)N1CC[C@@](O)(CNC(=O)CN2CCCC2)C1 1039764223 UUFMRQUSMJXXHD-QGZVFWFLSA-N 321.421 -0.035 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2ccc(C)o2)C1 1041345616 HYWQDAYSUKQQTI-LBPRGKRZSA-N 320.345 -0.071 30 20 DBED Cc1ncc(C(=O)NCC2(O)CN(C(=O)C#CC(C)C)C2)[nH]1 1042078688 MFDHTPQHVDJTPU-UHFFFAOYSA-N 304.350 -0.319 30 20 DBED N#CCN1CC[C@H]2CCN(C(=O)CN3C(=O)CCC3=O)C[C@@H]21 1042346006 OOCCCYCKANPVGJ-RYUDHWBXSA-N 304.350 -0.418 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)c2ccn(C)n2)C1 1042801797 UVOYKFUGGBGBPA-UHFFFAOYSA-N 304.350 -0.473 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)Cc2cncnc2)C1 1042802706 NEGKTYOTLSZSFG-UHFFFAOYSA-N 316.361 -0.488 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)CCCOC)C1 1043032857 KIDDEEMUHRUZRS-UHFFFAOYSA-N 312.366 -0.858 30 20 DBED C=CCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CC(=O)N(C)C2)C1 1043410026 OSHZEHQTLFVYSF-GFCCVEGCSA-N 323.393 -0.490 30 20 DBED C=CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2cnn(C)c2)C1 1043569256 UDFFXKWHWODJHY-NSHDSACASA-N 322.365 -0.686 30 20 DBED C=C(C)CCC(=O)N1CC(O)(CNC(=O)[C@H]2CCN(C)C2=O)C1 1045026714 MKXTWAJDYUYLIU-GFCCVEGCSA-N 323.393 -0.490 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)CCn2cccc2)C1 1045272921 RASMFMHCZSHDHI-GFCCVEGCSA-N 304.350 -0.273 30 20 DBED N#CCN1[C@H]2CC[C@H]1CN(C(=O)[C@@H]1CCS(=O)(=O)N1)CC2 1045892188 DWMPJEMUYMUYCU-SRVKXCTJSA-N 312.395 -0.733 30 20 DBED C#CCN1CC[C@H](N2CCN(C(=O)[C@H]3CC(=O)N(C)C3)CC2)C1 1046033774 KQTNWGMXRPRKGM-GJZGRUSLSA-N 318.421 -0.684 30 20 DBED Cn1cc(C(=O)N2CCN([C@@H]3CCN(CC#N)C3)CC2)nc1O 1046062395 RZUAYXQLFYILGI-GFCCVEGCSA-N 318.381 -0.519 30 20 DBED C=CCCn1cc(C(=O)N[C@]2(C)CCN([C@H](C)C(N)=O)C2)nn1 1046689732 NQCYUADMNOREFG-IAQYHMDHSA-N 320.397 -0.078 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(O)(CNC(=O)[C@@H]2CC23CC3)C1 1047141245 QQLRURHQKPLFSR-SMDDNHRTSA-N 308.378 -0.197 30 20 DBED C=C(C)CN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 1047529434 BKAAFWIILLYSMB-RFGFWPKPSA-N 309.410 -0.210 30 20 DBED C=CCn1cc(C(=O)N(C)[C@H]2CN(CC3CC3)C[C@@H]2O)nn1 1047554126 KWSXIZNOBIQASM-KBPBESRZSA-N 305.382 -0.009 30 20 DBED C#Cc1ccc(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)COC)C2)cn1 1048022881 SNNKERMSDSIEMY-KBPBESRZSA-N 317.345 -0.647 30 20 DBED CSCC(=O)N(C)[C@H]1CN(C(=O)CSCC#N)C[C@@H]1O 1048166877 PFQFOYZHLGHXAR-UWVGGRQHSA-N 317.436 -0.364 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H](O)C(C)C)C1 1048781671 GOVDIIGHOMOJTN-SGMGOOAPSA-N 314.382 -0.764 30 20 DBED C=C(C)CCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[C@H]2C(N)=O)C1 1049565364 NMWZLXHZBFJOPD-VOAKCMCISA-N 323.393 -0.506 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)CC1CS(=O)(=O)C1)C2 1050572185 UFMWIQZDJBKQCJ-UHFFFAOYSA-N 310.419 -0.021 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)[C@H]1CC(=O)N(CC(C)C)C1 1050945263 KCJDEXSAHGFDIK-GJZGRUSLSA-N 321.421 -0.059 30 20 DBED C=C(C)CCN1CCOC[C@@H]1CNC(=O)[C@@H]1CC(=O)NC(=O)N1 1051143215 XNRZMJPNKAOJDR-RYUDHWBXSA-N 324.381 -0.632 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1CNC(=O)Cn1ncnn1 1052554793 RQYQDPBVZUXZIU-DGCLKSJQSA-N 316.365 -0.703 30 20 DBED C#CCCN1CCC[C@@H](NC(=O)CN2CCNC(=O)C2)CC1 1052622019 MITHKCHQLKXDII-CQSZACIVSA-N 306.410 -0.588 30 20 DBED C=CCCN1CCC[C@H](NC(=O)c2cn(CC(N)=O)nn2)CC1 1052959433 VFJBZNQEBOHUNB-LBPRGKRZSA-N 320.397 -0.076 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)c1cn(C)c(=O)cn1)CCO2 1053352675 PAGSXJPCMKBPKR-UHFFFAOYSA-N 316.361 -0.670 30 20 DBED C#CCN1CC2(C1)CN(C(=O)[C@H]1CC(=O)N(CCC)C1)CCO2 1053451445 HGMSZNZKBXWGLK-AWEZNQCLSA-N 319.405 -0.209 30 20 DBED N#Cc1cc(C(=O)NC[C@@H]2CCC3(CN(CC(N)=O)C3)O2)c[nH]1 1053593481 LTEKXYYSUWUYDU-LBPRGKRZSA-N 317.349 -0.665 30 20 DBED C=CCCN1CC2(C[C@H](NC(=O)CN3CCCNC3=O)CO2)C1 1053857817 PCQNQMKBHHEGRK-ZDUSSCGKSA-N 322.409 -0.063 30 20 DBED C=C(C)CN1CC2(C[C@@H](NC(=O)c3cn(C)c(=O)cn3)CO2)C1 1053874634 GITXPEGJDCGNLL-GFCCVEGCSA-N 318.377 -0.071 30 20 DBED Cc1cc(C#N)nc(N2CCN(C(=O)[C@@H]3COCCO3)CC2)n1 1055728155 WTVXFXUCKGMMCH-ZDUSSCGKSA-N 317.349 -0.279 30 20 DBED N#Cc1cnc(N2C[C@@H]3C(NC(=O)[C@@H]4CCC(=O)N4)[C@H]3C2)cn1 1056265048 YYVYRRHHGLIZOF-DCAQKATOSA-N 312.333 -0.822 30 20 DBED N#Cc1cnc(N2CCCN(C(=O)[C@@H]3COC(=O)N3)CC2)cn1 1057132398 IHQWRYOUGWWDQL-NSHDSACASA-N 316.321 -0.505 30 20 DBED N#Cc1ccc(C(=O)NCCN(CCO)C(=O)[C@H]2CCOC2)[nH]1 1057145885 LAYGMENHLLJCBW-NSHDSACASA-N 320.349 -0.526 30 20 DBED C=C[C@@](C)(O)CC(=O)N(CCO)CCNC(=O)[C@@H]1CC1(F)F 1057450168 MNTWRCDOWHRWSJ-GXFFZTMASA-N 320.336 -0.094 30 20 DBED C=C[C@@](C)(O)CC(=O)N(CCO)CCNC(=O)c1cccnn1 1057450937 BLBVBZPXBHEDNS-OAHLLOKOSA-N 322.365 -0.646 30 20 DBED C#CCOCCC(=O)NCCN(CCO)C(=O)Cc1ccc[nH]1 1057792657 AGXNCYRGBFIWGK-UHFFFAOYSA-N 321.377 -0.466 30 20 DBED CN1C(=O)CC[C@H]1C(=O)N[C@@H]1CCN(c2cnc(C#N)cn2)C1 1058512770 LRJWAOQHUWQWTP-PWSUYJOCSA-N 314.349 -0.336 30 20 DBED N#Cc1ccc(N[C@H]2CCN(C(=O)[C@@H]3CCNC(=O)C3)C2)nn1 1058872354 LUGQWNTYLBNKRD-PWSUYJOCSA-N 314.349 -0.113 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](CCNC(=O)CNC(N)=O)C1 1059643900 FZPIWALGVFFIHH-GFCCVEGCSA-N 324.381 -0.951 30 20 DBED C[C@H](C#N)C(=O)NCC[C@@H]1CCN(C(=O)c2nnn(C)n2)C1 1060146929 IYKOWOHGPGTALR-NXEZZACHSA-N 305.342 -0.662 30 20 DBED N#Cc1cnc(NC[C@H]2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)cn1 1060991331 FXHMNARNKFWKNK-JLLWLGSASA-N 314.349 -0.270 30 20 DBED N#Cc1nccc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)Cn2nccn2)n1 1064300609 CUFFAKVTKBMIFE-ISTVAULSSA-N 310.321 -0.667 30 20 DBED C#CCO[C@H](C)C(=O)N1CCO[C@H](CNC(=O)c2cnon2)C1 1065154665 MNIHNCBFSHPMJH-GHMZBOCLSA-N 322.321 -0.935 30 20 DBED C#CCCCCC(=O)NC[C@H]1CN(C(=O)c2cnn[nH]2)CCO1 1065328039 KEOWBLZZVQMBIO-LBPRGKRZSA-N 319.365 -0.045 30 20 DBED C=CC(C)(C)C(=O)N1CCO[C@@H](CNC(=O)Cn2nccn2)C1 1065420836 NUJXWDLTYAZASW-LBPRGKRZSA-N 321.381 -0.166 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CN(C(=O)C(=O)NCC2CC2)CCO1 1065533029 WPSJFSSFRLLECD-ZYHUDNBSSA-N 322.365 -0.984 30 20 DBED CNC(=O)CCCC(=O)NC[C@H]1CN(C(=O)[C@H](C)C#N)CCO1 1065557889 WTQAHMXLBSWSDP-NEPJUHHUSA-N 324.381 -0.594 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@H]1CCCN(C(=O)CC(N)=O)CC1 1066106685 FVJQESHLUVKLJV-XHDPSFHLSA-N 311.382 -0.314 30 20 DBED N#Cc1cnc(N2CCOC[C@H]2CNC(=O)c2cc[nH]n2)cn1 1066465305 YGPBDFKXDQFMOS-LLVKDONJSA-N 313.321 -0.293 30 20 DBED CC1(C)CN(c2cnc(C#N)cn2)CC[C@H]1NC(=O)C(N)=O 1067336383 KIZHLDVBDHHPCB-SNVBAGLBSA-N 302.338 -0.445 30 20 DBED N#Cc1cncc(N2C[C@@H](O)[C@H](CNC(=O)c3cccnc3)C2)n1 1067642613 GXHHSFBYONSSFZ-TZMCWYRMSA-N 324.344 -0.030 30 20 DBED N#Cc1cncc(N2C[C@H](CNC(=O)c3cc[nH]n3)[C@@H](O)C2)n1 1067651019 FIFDVXFZDCXLGD-CABZTGNLSA-N 313.321 -0.702 30 20 DBED C=CCCC(=O)N1CC2(C1)CN(C(=O)[C@@H]1COC(=O)N1)CCO2 1068390355 GEPKFWCZNDNTHB-NSHDSACASA-N 323.349 -0.499 30 20 DBED C=CCCC(=O)N[C@H]1COC2(C1)CN(C(=O)CC(=O)NC)C2 1068752926 JHZVRIZKLCPYLM-LLVKDONJSA-N 309.366 -0.425 30 20 DBED CCC(=O)NCC(=O)N[C@@H]1COC2(C1)CN(C(=O)[C@H](C)C#N)C2 1068766597 JLWYRCZULSXYCY-MNOVXSKESA-N 322.365 -0.842 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1COC2(C1)CN(C(=O)c1cnnn1C)C2 1069004311 VKIVCVUNDHAICR-NXEZZACHSA-N 318.337 -0.926 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1COC2(C1)CN(C(=O)Cc1cnoc1)C2 1069007092 AMEBBIQQPVMTHB-CMPLNLGQSA-N 318.333 -0.137 30 20 DBED C#CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H]2CCCN2C)C1 1069902831 QWROKHFCHJQVCD-KFWWJZLASA-N 316.409 -0.263 30 20 DBED CCOC1CC(C(=O)N[C@@H]2CN(CC#N)C[C@@H]2n2ccnn2)C1 1069918427 PXFTVGBYCJQDMN-PQAZSJQKSA-N 318.381 -0.042 30 20 DBED N#CCN1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CCNC2=O)C1 1070420246 UPWZQWINULSFOB-PWSUYJOCSA-N 316.365 -0.525 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@@H](NC(=O)c2cc[nH]c2)C1 1070639469 LJXXAUMABXWNHN-CYBMUJFWSA-N 316.361 -0.125 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)[C@@H]2CC(=O)N(C)C2)CC1 1070966656 HKBIEROPFHQKRM-CYBMUJFWSA-N 322.409 -0.699 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)CCc2cnc[nH]2)CC1 1070969544 WKIJYHOUJDPFIL-UHFFFAOYSA-N 317.393 -0.374 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(C(=O)CCOCC)C[C@@H]1C 1071781025 GLTINOYDMWEMGO-QWHCGFSZSA-N 323.393 -0.484 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)CC(=O)NCC)C[C@@H]1C 1071938780 HSLAPFUDHZUKBY-NWDGAFQWSA-N 311.382 -0.322 30 20 DBED C#CCN1CCC(C(=O)N2C[C@H](C)[C@H](NC(=O)COC)C2)CC1 1072275661 LQOTYRVPWBXYLG-DZGCQCFKSA-N 321.421 -0.059 30 20 DBED C=CCN1CCO[C@H]2CCN(C(=O)Cn3ncn(C)c3=O)C[C@@H]21 1074279528 NJXFLKVIYIELNZ-STQMWFEESA-N 321.381 -0.931 30 20 DBED C[C@@H](CCNC(=O)c1ccc(C#N)[nH]1)NC(=O)c1nc[nH]n1 1076181671 GACCAJWNMQTPKL-QMMMGPOBSA-N 301.310 -0.057 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)c2ccn(CCOC)n2)C1 1077362358 WWWXQEMNPGXBKK-ZIAGYGMSSA-N 306.366 -0.672 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2cccn(CC(C)C)c2=O)C1 1077785546 FBDZGZMACZMCPI-HUUCEWRRSA-N 317.389 -0.088 30 20 DBED C=CCCn1cc(C(=O)N[C@@H]2CN([C@H](C)COC)C[C@H]2O)nn1 1077814180 XEXYATUEWISJTG-YRGRVCCFSA-N 323.397 -0.336 30 20 DBED C=CCOCC(=O)N1CC(N(CC)C(=O)[C@H]2CCC(=O)N2)C1 1079485651 UTIYQJNTRFIKNM-GFCCVEGCSA-N 309.366 -0.473 30 20 DBED C=CCOCC(=O)NC1(CO)CCN(C(=O)c2cnn[nH]2)CC1 1080774942 MRZGYTKFTAGKRN-UHFFFAOYSA-N 323.353 -0.909 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2ccon2)C[C@H]1O 1081343252 AHSOQMWJUIVOIQ-CMPLNLGQSA-N 309.322 -0.574 30 20 DBED C#CCCCCC(=O)NC[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1O 1081416795 KJPJXFQUOCRCJW-NEPJUHHUSA-N 319.365 -0.453 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)CCCC(N)=O)C[C@H]1O 1081464218 XEDQLKNATIQPNC-CHWSQXEVSA-N 323.393 -0.763 30 20 DBED C#CCOCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2cnco2)C1 1081624315 WARZYTIGUQCQES-VXGBXAGGSA-N 321.333 -0.736 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H]2CN(CC(=O)N(C)C3CC3)C[C@@H]21 1083024654 VNHCZBWKQMVEOA-FPMFFAJLSA-N 320.393 -0.322 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCCc3nn[nH]c32)C1 1083734023 OAZAKFXPFAQVBB-UHTWSYAYSA-N 303.366 -0.591 30 20 DBED C=CCN1CC[C@@H](N[C@@H]2CCCC[C@H]2NC(=O)C(N)=O)C1=O 1085317577 GVSRKKSCEWAHPL-IJLUTSLNSA-N 308.382 -0.724 30 20 DBED C=CCN1CC[C@H](NC(=O)c2cn(CCOC)nn2)[C@H](O)C1 1090257863 KUYRFIIAIOTXEX-WCQYABFASA-N 309.370 -0.725 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(c2ccc(C)nn2)C[C@H]1O 1090408209 MOHKPOGHUGUXCF-JMSVASOKSA-N 306.366 -0.222 30 20 DBED CN(C)C(=O)CC(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@H]1O 1090546506 YDMMZEUGCQWIDS-DGCLKSJQSA-N 317.349 -0.903 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2ccc(C(N)=O)[nH]2)[C@H](O)C1 1090572377 FVZLBAMDYJFKTK-GXFFZTMASA-N 304.350 -0.698 30 20 DBED CC(C)(C(=O)N[C@@H]1CCN(CC#N)C[C@H]1O)N1CCOCC1 1090640117 GYQYKSJICKWAJO-CHWSQXEVSA-N 310.398 -0.828 30 20 DBED CO[C@@H]1CN(c2cc(C)nc(CO)n2)C[C@H]1NC(=O)[C@H](C)C#N 1090865208 RRHMSIVZFVWZCC-YUSALJHKSA-N 319.365 -0.243 30 20 DBED COC[C@@H](C)C(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1091089803 RNEPIOSPCJCJFT-JLLWLGSASA-N 305.338 -0.704 30 20 DBED CNC(=O)CC(=O)NC[C@H]1C[C@H](Nc2cncc(C#N)n2)C1 1091449516 WLJPKYKQEDIGMI-MGCOHNPYSA-N 302.338 -0.209 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2CN([C@@H](C)C(N)=O)C[C@H]2C)nn1 1093033048 XMULEYCKRXXUNJ-GRYCIOLGSA-N 320.397 -0.364 30 20 DBED C[C@@H](CC(=O)N1CCN(c2cncc(C#N)n2)CC1)NC(N)=O 1093178220 XWRUFNFXUNLDBB-JTQLQIEISA-N 317.353 -0.556 30 20 DBED C[C@H](C(=O)NCCNc1ccc(C#N)nn1)[C@H]1CCC(=O)N1 1094133299 MRWZOYMFEWOPPE-GXSJLCMTSA-N 302.338 -0.209 30 20 DBED C#CCN1CC(n2cc(CNC(=O)[C@H]3CCCCN3C)nn2)C1 1094299530 AZGZYXJQFCVQLY-OAHLLOKOSA-N 316.409 -0.132 30 20 DBED Cc1cnn(C)c1C(=O)NCc1cn(C2CN(CC#N)C2)nn1 1094311136 KXHYENSHFHNNKY-UHFFFAOYSA-N 314.353 -0.370 30 20 DBED CC(=O)NCC(C)(C)C(=O)NCCCN=c1cc[nH]c(C#N)n1 1094486948 ZHOFNUVFOQEDON-UHFFFAOYSA-N 318.381 -0.149 30 20 DBED C#CCCN1CC(N2C[C@@H](NC(=O)[C@H]3CCCOC3)CC2=O)C1 1094711338 DWKPSMMUCYFKMC-KBPBESRZSA-N 319.405 -0.162 30 20 DBED Cc1c[nH]nc1C(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1 1094735912 WSPQNXWKADAGIQ-JTQLQIEISA-N 302.338 -0.743 30 20 DBED C=C(C)CN1CC(N2C[C@@H](NC(=O)c3cnon3)CC2=O)C1 1094798969 DKUYMQDQEZYVRX-JTQLQIEISA-N 305.338 -0.339 30 20 DBED CNC(=O)NCC(=O)N1CCC[C@H](N=c2cc[nH]c(C#N)n2)C1 1095330702 YRQIKWLJEUOEIE-JTQLQIEISA-N 317.353 -0.898 30 20 DBED N#Cc1cnc(N(CCCNC(=O)CNC(N)=O)C2CC2)cn1 1096001577 IBDJLXCVPJTGST-UHFFFAOYSA-N 317.353 -0.508 30 20 DBED CCc1nc(C#N)cc(N2CC[C@@H](NC(=O)CC(N)=O)C2)n1 1096349283 PLUFKERVZFAHBY-SECBINFHSA-N 302.338 -0.519 30 20 DBED C[C@@H](CNC(=O)CN1C(=O)CNC1=O)Nc1ccc(C#N)nc1 1097837197 IGAJUUWXVWHEHE-VIFPVBQESA-N 316.321 -0.578 30 20 DBED CC(=O)N1CCC[C@H]1C(=O)NC[C@@H](C)N=c1cc[nH]c(C#N)n1 1097978087 OFZONBMMFCLXLF-PWSUYJOCSA-N 316.365 -0.302 30 20 DBED COCC(=O)N(C)CC(=O)NC[C@@H](C)N=c1cc[nH]cc1C#N 1098329736 NASPCLUKTNVLGV-LLVKDONJSA-N 319.365 -0.603 30 20 DBED CN1CC(=O)N(CC(=O)N[C@]23CCC[C@H]2CN(CC#N)C3)C1=O 1099152132 FPYCZSVZOPDMSH-NHYWBVRUSA-N 319.365 -0.625 30 20 DBED N#CCN1C[C@@H]2[C@@H]3CC[C@@H](CN3C(=O)CCNC(N)=O)[C@H]2C1 1099553852 WBIWMLHLCJCNLL-RNJOBUHISA-N 305.382 -0.263 30 20 DBED C#CCCCC(=O)N[C@H]1CCN(CCN2CCNC2=O)C[C@@H]1O 1099804916 UIGZBIZMSUDVGN-KBPBESRZSA-N 322.409 -0.634 30 20 DBED COCC(=O)NCCC(=O)NCCN(C)c1ccnc(C#N)n1 1100376102 RIUHHVLKQNXPLX-UHFFFAOYSA-N 320.353 -0.947 30 20 DBED CN(CCNC(=O)CCS(C)(=O)=O)c1nccnc1C#N 1100394081 LUOWNPNHGWSJFU-UHFFFAOYSA-N 311.367 -0.665 30 20 DBED CCNC(=O)CC(=O)NCCN(c1ccnc(C#N)n1)C1CC1 1101317751 POOBADSAJWIDCM-UHFFFAOYSA-N 316.365 -0.041 30 20 DBED COc1c(C(=O)N(C)CCN=c2cc[nH]c(C#N)n2)cnn1C 1101709702 KTIMPMXAPUGADD-UHFFFAOYSA-N 315.337 -0.304 30 20 DBED CC(C)[C@@H](O)C(=O)NC[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1101935987 WNIJYTIQZDCDLN-YRGRVCCFSA-N 310.398 -0.673 30 20 DBED C=C(C)CNCc1cn(C2CN(C(=O)CN(C)C(C)=O)C2)nn1 1105169731 LNCFMKNGWKLIRC-UHFFFAOYSA-N 320.397 -0.195 30 20 DBED CN(CCN(C)c1ccc(C#N)nn1)C(=O)c1nccnc1N 1105351211 GTTSIPRMBPZMAK-UHFFFAOYSA-N 312.337 -0.071 30 20 DBED Cc1[nH]nc(C(=O)NC[C@H](O)CN=c2cc[nH]c(C#N)n2)c1C 1105761368 BQTHHRUGAXEWGR-SNVBAGLBSA-N 315.337 -0.687 30 20 DBED N#Cc1nc(=NC[C@H](O)CNC(=O)CC[C@H]2CCCO2)cc[nH]1 1105778076 LOZJHQZZSISCLS-NWDGAFQWSA-N 319.365 -0.382 30 20 DBED CN1CC[C@@H](C(=O)NC[C@H](O)CNc2ncccc2C#N)C1 1105853362 MRXWIMIONSZOCB-CHWSQXEVSA-N 303.366 -0.206 30 20 DBED C#CCO[C@H](C)C(=O)NCc1cn(C2CN(CC=C)C2)nn1 1107169531 MZYLVYUTEHJWDV-GFCCVEGCSA-N 303.366 -0.025 30 20 DBED C[C@]1(C(=O)NC/C=C\CNc2nccnc2C#N)CNC(=O)C1 1107421116 ACJKWBWZWJSKNP-MPNWYJEXSA-N 314.349 -0.041 30 20 DBED Cc1cccn(CC(=O)NC[C@@]2(C)CN(CC#N)CCO2)c1=O 1107943472 BZTBZQGINLWQGP-INIZCTEOSA-N 318.377 -0.113 30 20 DBED CNC(=O)NC(C)(C)C(=O)N[C@@H](C)CNc1cnc(C#N)cn1 1108405527 GMUIGQAIDYWCSQ-VIFPVBQESA-N 319.369 -0.028 30 20 DBED CO[C@@H](C)CC(=O)N1CCN(CC#N)[C@H]2CS(=O)(=O)C[C@H]21 1108463813 UNZUJBFWDIGTEM-SDDRHHMPSA-N 315.395 -0.755 30 20 DBED C[C@@H](CNc1ccc(C#N)cn1)NC(=O)Cn1c(O)nnc1O 1108466230 TWKCFJNLYBVPMM-QMMMGPOBSA-N 317.309 -0.427 30 20 DBED C=CCCN1CC(N2C[C@@H](NC(=O)CNC(C)=O)CC2=O)C1 1108499380 ZYCZUDWWRNNEAX-LBPRGKRZSA-N 308.382 -0.900 30 20 DBED CCO[C@H](CC)C(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1 1108513781 RDHCXTNENVAOPP-WCQYABFASA-N 308.382 -0.274 30 20 DBED CC#CCN1CC(N2C[C@H](NC(=O)CCCN(C)C)CC2=O)C1 1108567006 SRFCARZNACTBAR-CQSZACIVSA-N 320.437 -0.247 30 20 DBED CNC(=O)CC(=O)NC1(C)CCN(c2ccc(C#N)nn2)CC1 1110584521 WPEULMCKALQXJS-UHFFFAOYSA-N 316.365 -0.041 30 20 DBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1CCCC1 1111408271 QLXRQJUXSCCUPZ-MCIONIFRSA-N 319.409 -0.557 30 20 DBED CN1CCC[C@@H]1C(=O)N(CCO)CCN=c1cc[nH]cc1C#N 1111429249 CMIMAGXMHZZDIQ-OAHLLOKOSA-N 317.393 -0.298 30 20 DBED CC(C)[C@@H](O)C(=O)N(CCO)CCNc1cnc(C#N)cn1 1111461682 JMDKAMWCLNWISU-CYBMUJFWSA-N 307.354 -0.402 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)C[C@@H]2CCCO2)CC1 1112633973 CDUBZBMDUIMNLK-KGLIPLIRSA-N 307.394 -0.162 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(CC(=O)NC[C@H]2CCOC2)CC1 1112711172 SNOBRSCYIMLFDG-QWHCGFSZSA-N 308.382 -0.557 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)Cc2cccnc2)CC1 1112767191 IRKUVYFMPYODMQ-AWEZNQCLSA-N 314.389 -0.094 30 20 DBED CN(C[C@@H]1CCCN1C(=O)CNC(N)=O)c1ccc(C#N)nn1 1112779672 GNCHATNXJZYHFZ-NSHDSACASA-N 317.353 -0.556 30 20 DBED CN(C[C@@H]1CCCN1C(=O)CNC(N)=O)c1cnc(C#N)cn1 1112780034 PFLWHIVNYFNDBI-NSHDSACASA-N 317.353 -0.556 30 20 DBED C[C@@H](NC(=O)C1(C(N)=O)CC1)[C@@H](C)Nc1cnc(C#N)cn1 1113274850 WHSYEFOWCSRAFK-RKDXNWHRSA-N 302.338 -0.081 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)c3cc(CC)[nH]n3)[C@@H]2C1 1113896481 CEJFLCUXUMMWQX-VXGBXAGGSA-N 317.393 -0.066 30 20 DBED C=CCOCC(=O)N[C@H]1[C@@H]2CN(CCN3C(=O)CCC3=O)C[C@@H]21 1114034821 MKOYETRRWLPDIV-ATCWAGBWSA-N 321.377 -0.616 30 20 DBED C=CCOCCN1C[C@H]2[C@H](NC(=O)CCn3ccnn3)[C@H]2C1 1114186726 KHILYCOMOSGNBK-NHAGDIPZSA-N 305.382 -0.083 30 20 DBED C=CCCCN1C[C@H]2[C@H](NC(=O)Cn3cnc(C(N)=O)n3)[C@H]2C1 1114304589 UNWAFPLLVOZWFS-PJXYFTJBSA-N 318.381 -0.610 30 20 DBED CN(CC(=O)NC1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]12)C1CCC1 1114411731 JVOHKZHRUTZZPM-CHWSQXEVSA-N 319.409 -0.843 30 20 DBED C=CCOCCN1C[C@H]2[C@H](NC(=O)[C@H]3COCCN3CC)[C@H]2C1 1114496567 OWSJLAUUPGNHCJ-QXSJWSMHSA-N 323.437 -0.044 30 20 DBED CNC(=O)CC(=O)NC[C@H]1[C@@H]2CN(c3cncc(C#N)n3)C[C@H]12 1114530667 OKQBSGFQHGMICN-CNDDSTCGSA-N 314.349 -0.717 30 20 DBED CNC(=O)CC(=O)N1C[C@@H](CN=c2cc[nH]c(C#N)n2)C[C@H]1C 1114678429 SNVZEPTYVAVPLN-GHMZBOCLSA-N 316.365 -0.445 30 20 DBED C[C@@H](CC(N)=O)C(=O)N[C@H](C)CCCN=c1cc[nH]c(C#N)n1 1115047205 DQHRZIKUENHEIM-WDEREUQCSA-N 318.381 -0.022 30 20 DBED Cc1cc(N(C)CCOCCNC(=O)C(N)=O)c(C#N)cn1 1115250720 YANUHRWWBXYPTJ-UHFFFAOYSA-N 305.338 -0.684 30 20 DBED C[C@@H](CN(C)C(=O)Cn1cnnc1O)N=c1cc[nH]c(C#N)n1 1115687865 ZFMUGCOWQICADW-VIFPVBQESA-N 316.325 -0.974 30 20 DBED C[C@H](N)C[C@@H](C)NC(=O)NCCN/C(O)=C1/N=CC=CC1=O 1118136947 ZLXHAHHQNLPROU-HEAIAJATSA-N 309.370 -0.062 30 20 DBED CN(C[C@H]1CCCCO1)C(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1118247483 KNCYLAMGKGQDJT-DOMZBBRYSA-N 309.366 -0.109 30 20 DBED C[C@H]1COCCN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1 1120463610 NJFHVSILAZJKJA-OCCSQVGLSA-N 320.393 -0.320 30 20 DBED C[C@H](C#N)C(=O)NC1CC2(C1)CC(N[C@H]1CCC(=O)NC1=O)C2 1120855168 XGAOPVSRHFJACD-NFDPKFBWSA-N 318.377 -0.032 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H](CO)CNC(=O)C1=CCOCC1 1121340416 WXZMJGZHVWVWTG-CYBMUJFWSA-N 302.334 -0.389 30 20 DBED N#Cc1nccnc1N[C@H](CO)CNC(=O)[C@@H]1CCCCO1 1121454303 IGYKNISMRZKUAP-JQWIXIFHSA-N 305.338 -0.194 30 20 DBED N#Cc1nccnc1N[C@@H](CO)CNC(=O)[C@H]1CCCCO1 1121454305 IGYKNISMRZKUAP-ZYHUDNBSSA-N 305.338 -0.194 30 20 DBED N#Cc1nc(=N[C@H](CO)CNC(=O)[C@@H]2CCCCO2)cc[nH]1 1121455281 OYIGPTSZYARUGW-QWRGUYRKSA-N 305.338 -0.772 30 20 DBED C#CCNCC(=O)N1CCN(C(=O)c2ccc(O)cc2)CC1 1121925071 OINMAUBFCSFEPB-UHFFFAOYSA-N 301.346 -0.101 30 20 DBED COC1CC(C(=O)NC[C@@H](CO)Nc2cnc(C#N)cn2)C1 1122177737 XPNKUJVHSVEVKD-ZYXZCXLHSA-N 305.338 -0.338 30 20 DBED C[C@H](CC(N)=O)C(=O)NC[C@H](CO)Nc1ncccc1C#N 1122354135 GVYKIJVHCMUMGF-MWLCHTKSSA-N 305.338 -0.646 30 20 DBED CO[C@@H](C(=O)NC[C@H](CO)N=c1cc[nH]cc1C#N)C(C)C 1122445501 QHSOHMJDBSEMGW-TZMCWYRMSA-N 306.366 -0.065 30 20 DBED CC[C@H](NC(C)=O)C(=O)NC[C@H](CO)Nc1cnc(C#N)cn1 1122645351 YLQHNCKVUMODRT-NEPJUHHUSA-N 320.353 -0.848 30 20 DBED C[C@@H]1[C@H](Nc2nccnc2C#N)CCN1C(=O)CNC(N)=O 1122932060 SEZGETINLNZTHA-RKDXNWHRSA-N 303.326 -0.582 30 20 DBED CN(C[C@@H](O)CNc1cncc(C#N)n1)C(=O)[C@@H]1CCOC1 1124139830 CSTQSKCJTMGATM-PWSUYJOCSA-N 305.338 -0.384 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)[C@@H]1CCOC1 1124141380 TUUCSNAKKHMITI-GHMZBOCLSA-N 305.338 -0.962 30 20 DBED C=CCCC(=O)NCCNCc1nc(CS(C)(=O)=O)no1 1124646588 VGHKKNFMUKWLNR-UHFFFAOYSA-N 316.383 -0.214 30 20 DBED C=CCOCC(=O)N(C)C[C@H](O)CN(C)c1ccnc(C#N)n1 1124989434 WKUJVZTYBRXRJE-GFCCVEGCSA-N 319.365 -0.194 30 20 DBED CN(C[C@H](O)CN(C)c1ccnc(C#N)n1)C(=O)c1cnn[nH]1 1125374698 ZQLRIKUJYJMZIR-SECBINFHSA-N 316.325 -0.964 30 20 DBED C#CCCCC(=O)NCCNCC(=O)NCC(=O)NC(C)(C)C 1126338625 DSEYMBGCXFGKNN-UHFFFAOYSA-N 324.425 -0.473 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)CC1(O)CCC1 1126848626 YHOAQRXCNQXENO-UHFFFAOYSA-N 312.370 -0.991 30 20 DBED C#CCNCc1nnc2n1CC[C@H](NC(=O)[C@H](C)OC)CC2 1127944404 RWPYYLYDFLQRJM-NWDGAFQWSA-N 305.382 -0.143 30 20 DBED C[C@H](C#N)C(=O)NCc1cnn2c1CN([C@@H]1CCNC1=O)CC2 1128265065 SINUPPLBIHLXDP-ZYHUDNBSSA-N 316.365 -0.637 30 20 DBED C=CCNC(=O)CNCCNC(=O)C[C@@H]1CCOC[C@@H]1OC 1129207641 JRNHTHURPQOADY-STQMWFEESA-N 313.398 -0.564 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)Cc1cnc(C)o1 1129304902 RXDIRELZKFUAQS-UHFFFAOYSA-N 321.381 -0.007 30 20 DBED COCCN[C@@H]1CN(C(=O)CSCC#N)C[C@@H]1n1ccnn1 1129604053 VILXAJRKBBVGHM-NEPJUHHUSA-N 324.410 -0.477 30 20 DBED CC(=O)Nc1nc(C(=O)NCCNCC(=O)NCC#N)cs1 1130757003 LMLZMIHPBFSQPP-UHFFFAOYSA-N 324.366 -0.939 30 20 DBED CC#CCN1CCOC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](C)C#N)n1 1130839232 KDGGHEMRYVHWLF-NWDGAFQWSA-N 316.365 -0.023 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)c1ccnc(OC)n1 1131193680 YXOZWHAQPWNBFM-JTQLQIEISA-N 307.354 -0.505 30 20 DBED C=CCOCC(=O)N1C[C@@H]2C[C@@H]3CN(C[C@@H](C)O)C[C@]2(C1)O3 1131213474 FTGJSNUOBXYVLP-HLPPOEQASA-N 310.394 -0.129 30 20 DBED C[C@@H]1CC[C@@H](NC(=O)C#CC2CC2)CN1CC(=O)NC(N)=O 1132034580 SQFSZAIDMRFICT-ZYHUDNBSSA-N 306.366 -0.436 30 20 DBED C[C@H]1CCN(C(=O)CN(C)S(C)(=O)=O)C[C@H]1CNCC#N 1132865025 GPCSJSDHAMFPET-NWDGAFQWSA-N 316.427 -0.524 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)[C@@H](OC)C(C)C 1133342472 JMKNNZRCSQCFKB-LBPRGKRZSA-N 314.386 -0.625 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)c1cn(C)c(O)n1 1133350224 CMAJIBRFHOSIEY-UHFFFAOYSA-N 321.381 -0.354 30 20 DBED Cc1ccc(C(=O)N[C@@H](C)C[C@@H](C)NCC(=O)NCC#N)nn1 1134332873 IQWREBAKDVTSIR-NEPJUHHUSA-N 318.381 -0.089 30 20 DBED CNC(=O)NC(=O)CN[C@@H](C)C[C@H](C)NC(=O)C#CC(C)C 1134344937 NMEQBWXHMBATRR-RYUDHWBXSA-N 310.398 -0.026 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)CN(C)CCC 1148638676 MWJAHYAOIFMKHA-UHFFFAOYSA-N 313.402 -0.954 30 20 DBED C=CCCCN1CCCO[C@@H](CNC(=O)Cn2cnnn2)C1 1149159748 LOSGLWWFMADNEN-ZDUSSCGKSA-N 308.386 -0.154 30 20 DBED C#CCCN1CCCO[C@H](CNC(=O)CCn2cnnn2)C1 1150496867 GUVIKPXRJOYQTP-CYBMUJFWSA-N 306.370 -0.706 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)c1c[nH]c(C#N)c1 1152854789 GUBPZANPKHLXMZ-LLVKDONJSA-N 316.365 -0.034 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)[C@H](C)n1cccn1 1154908453 GDZWPBLTAQYKSK-OLZOCXBDSA-N 305.382 -0.322 30 20 DBED CC#CCNCC1(CCNC(=O)CN(C)S(C)(=O)=O)CC1 1165314671 JTCBAOBITYWZFP-UHFFFAOYSA-N 315.439 -0.223 30 20 DBED N#CCNC(=O)CNCC1(CCNC(=O)c2ccncn2)CC1 1167486456 DUNSVFIFKXOVGX-UHFFFAOYSA-N 316.365 -0.394 30 20 DBED Cn1cc(C(=O)NCCC2(CNCC#N)CC2)c(O)nc1=O 1168110399 ZUTUBPZZEYKDQS-UHFFFAOYSA-N 305.338 -0.501 30 20 DBED CO[C@@H](CC(=O)NCCCNCC(=O)NCC#N)C(F)(F)F 1170353069 NWQYPWSVEJZNQW-VIFPVBQESA-N 324.303 -0.311 30 20 DBED C#CCOCCC(=O)N1CC[C@H](NCc2cnn(C)n2)[C@@H]1C 1178681873 QXEDYZHMSMZBFL-JSGCOSHPSA-N 305.382 -0.066 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2ccnn2C)C1 1181461446 QYQGILVEFKJCFU-NWDGAFQWSA-N 303.366 -0.638 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)CNC(=O)N2CCCC2)C1 1182458532 JIXUXAXMOINRRR-CQSZACIVSA-N 322.409 -0.368 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)Cc2ccn(CC)n2)C1 1182709040 NBGJKWCICRCEAL-CQSZACIVSA-N 319.409 -0.062 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H](C2CC2)N(C)C)C1 1183266841 GMRBSTSDXICBOX-UKRRQHHQSA-N 306.410 -0.734 30 20 DBED C[C@@H]1CN(C(=O)CN2CCNC(=O)C2)CC[C@H]1CNCC#N 1184924729 VVXVGHHYSVGGPF-OLZOCXBDSA-N 307.398 -0.984 30 20 DBED C[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)CC[C@H]1CNCC#N 1185641765 RAGDZPOPPQTHTP-MNOVXSKESA-N 307.354 -0.864 30 20 DBED CN1CC[C@H](CC(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)C1 1187106286 DOKUKVZABBONFZ-CHWSQXEVSA-N 307.398 -0.842 30 20 DBED N#CCNC(=O)CN1C[C@@H]2CCN(C(=O)[C@@H]3CCCCO3)[C@@H]2C1 1187531517 USIYIVFUIGDKKM-MJBXVCDLSA-N 320.393 -0.272 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2cnsn2)C1 1189057700 BBJUTQLWOWRTJN-SNVBAGLBSA-N 309.395 -0.013 30 20 DBED CC(=O)N[C@@H]1CN(CC(=O)NCC#Cc2ccccc2)C[C@H]1O 1190573662 SZMQCUVRZYGYBM-HZPDHXFCSA-N 315.373 -0.665 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)c2cncs2)C1 1191362181 VQXYJRBBGIVCMV-GMTAPVOTSA-N 324.406 -0.391 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2nc(C)c[nH]2)C1 1192766690 DGGUSIXVQDVHKV-LBPRGKRZSA-N 303.366 -0.386 30 20 DBED C#CCCN(C)[C@H]1CCN(C(=O)CN2C(=O)NC(C)(C)C2=O)C1 1193826057 WTZAYCVINPNRTJ-LBPRGKRZSA-N 320.393 -0.127 30 20 DBED C=C(C)CN(CC)C(=O)CNC1CCN(C(=O)CC(N)=O)CC1 1199912608 ZFGCHCSLQATGRL-UHFFFAOYSA-N 324.425 -0.133 30 20 DBED CN(C)C(=O)CNC[C@@H]1CN(C(=O)C#CC2CC2)CCCO1 1200452965 PEUXFMQNBLOQBA-CQSZACIVSA-N 307.394 -0.305 30 20 DBED COCC#CCNC1CCN(C(=O)CN2CCOCC2=O)CC1 1201065841 AMBZENKYFSKDEU-UHFFFAOYSA-N 323.393 -0.924 30 20 DBED N#CCNC(=O)CNC[C@H]1CN(C(=O)CCCF)CCCO1 1201179641 XGBZOOJPZHOJJX-LBPRGKRZSA-N 314.361 -0.417 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)C2(C(=O)NC)CC2)CCCO1 1201650264 XEMLQEMJPPWJIT-CYBMUJFWSA-N 307.394 -0.257 30 20 DBED COCC#CCNCC1CCN(C(=O)C[C@H](C)NC(N)=O)CC1 1205279455 VCCUMDBLLHCYIE-ZDUSSCGKSA-N 324.425 -0.089 30 20 DBED C=CCCNCC1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 1206421020 QSDHIAWWLHCLHV-LBPRGKRZSA-N 308.382 -0.011 30 20 DBED COC[C@H](O)CN1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@H](C)C1 1206880983 LADNVXUKQGNMJI-LERXQTSPSA-N 306.366 -0.056 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN([C@H](C)C(=O)N(C)C)C[C@H]1C 1206891769 IBSLZAJFTMTZMH-JHJVBQTASA-N 322.409 -0.961 30 20 DBED Cc1nn(C)cc1C(=O)N1CCC[C@H](NCC(=O)NCC#N)C1 1207705338 LWMZNWRGTOHKGU-LBPRGKRZSA-N 318.381 -0.438 30 20 DBED COC1CC(C(=O)N2CCC[C@@H](NCC(=O)NCC#N)C2)C1 1208384088 QSEGSJTTYLQKGH-OTTFEQOBSA-N 308.382 -0.368 30 20 DBED COCC#CCN[C@@H]1CCCN(C(=O)[C@@H]2CCC(=O)N2C)C1 1209052158 MGTQQXAIEPCETF-KGLIPLIRSA-N 307.394 -0.162 30 20 DBED C=CCN(CC=C)C(=O)CN[C@H]1CCCN(C(=O)C(N)=O)C1 1209367004 XDHKLWBBHZZTAR-LBPRGKRZSA-N 308.382 -0.747 30 20 DBED C=C[C@](C)(O)CC(=O)N1C[C@@H](NCc2nnn(C)n2)[C@H](C)C1 1214521010 UAXSTTSKMBDIEN-GYSYKLTISA-N 308.386 -0.526 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1C 1214904870 NJFWREHZAPDREZ-FMKPAKJESA-N 322.453 -0.242 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)CC(C)C 1217200998 RTCZTRCGJARMHN-UONOGXRCSA-N 307.394 -0.307 30 20 DBED C=CCCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2cn(C)nn2)C[C@@H]1O 1219324730 YXDHYKHUJSYJFJ-YUTCNCBUSA-N 323.397 -0.542 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CN(Cc2noc3c2COCC3)C[C@@H]1O 1219381481 TTWMSLOTHXMTJL-WQAKAFBOSA-N 320.349 -0.432 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)C[C@@H]2CCCCO2)C1 1219438615 UWMFXWAAZQUXHR-ZNMIVQPWSA-N 310.394 -0.243 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)[C@H]2CN3CCC2CC3)C1 1219643541 XWXOUJRPIHDHGM-XHSDSOJGSA-N 323.437 -0.308 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)c2ccsn2)C1 1219858379 OWGPHOJDIRASKF-JLLWLGSASA-N 324.406 -0.391 30 20 DBED COc1ccc(NC(=O)C(=O)N[C@@H]2CN(CC#N)C[C@@H]2O)cc1 1219959962 VKQXPOHIUVUXBE-OLZOCXBDSA-N 318.333 -0.681 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)C(C)(C)NC(C)=O)C1 1220562126 SWQNLNMKPGGCMF-OLZOCXBDSA-N 313.398 -0.735 30 20 DBED C=CCOCC(=O)N1C[C@H]2CCN([C@H](C)C(=O)NC(N)=O)C[C@H]21 1221436274 RXKFBPNGBZSCKE-IJLUTSLNSA-N 324.381 -0.695 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)Cc3ccon3)[C@@H]2C1 1221456490 SMJIWDYDYAPEDQ-TZMCWYRMSA-N 316.361 -0.501 30 20 DBED Cn1nnc(CN2CCC(CNC(=O)CSCC#N)CC2)n1 1222419680 DVHQEYJXLBJBOJ-UHFFFAOYSA-N 323.426 -0.205 30 20 DBED N#CCN1CCC(CNC(=O)CN2CCC(=O)NC2=O)CC1 1225094617 IMFPHPFAWPSGLB-UHFFFAOYSA-N 307.354 -0.720 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)C[C@H]2CCNC2=O)CC1 1227775314 VBCGOBXKTWPXRE-GFCCVEGCSA-N 322.409 -0.605 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@@H]1CN(C)C(=O)CNC(=O)CC 1231271142 GTKLSKXSIZTPPZ-CHWSQXEVSA-N 322.409 -0.817 30 20 DBED C=CCNC(=O)CNC(=O)N(C)Cc1ncnn1CC(F)F 1256155764 JPNAVHDUONIHEV-UHFFFAOYSA-N 316.312 -0.013 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N1C[C@H](O)C[C@@H]1COC 1261989857 XUUBKGFUBOZZMO-JHJVBQTASA-N 312.366 -0.861 30 20 DBED C#CC[C@H](CO)NC(=O)N[C@H]1CCN(C2CCOCC2)C1=O 1262192063 RKCJHCMSSSECCD-YPMHNXCESA-N 309.366 -0.550 30 20 DBED N#CCNC(=O)CN1CC[C@H](NC(=O)[C@H]2C[C@@H]2C(F)F)C1 1269023663 YIPSYMOYDPOQEQ-GUBZILKMSA-N 300.309 -0.282 30 20 DBED Cc1nn(CC(=O)N[C@H]2CCSC2=O)c(=O)c(C#N)c1C 1319650448 YWCOAWCTQQVKGL-JTQLQIEISA-N 306.347 -0.120 30 20 DBED COCCOCCNC(=O)C(=O)NCC#Cc1ccccc1 1321399677 LQAXBICGJUMQIY-UHFFFAOYSA-N 304.346 -0.067 30 20 DBED Cc1nnc(CNC(=O)C(=O)NCc2cccc(C#N)c2)n1C 1322191525 KUGRJUZCWREKJJ-UHFFFAOYSA-N 312.333 -0.072 30 20 DBED C#CCCCCNC(=O)C(=O)NCC(C)(C)S(C)(=O)=O 1322894414 LRDXQCCCMRDEQG-UHFFFAOYSA-N 302.396 -0.155 30 20 DBED Cn1cc(N2CC[C@H](NC(=O)[C@H](N)CCCC#N)C2=O)cn1 1325791937 SEDDJFAGTIFXPI-NEPJUHHUSA-N 304.354 -0.337 30 20 DBED C[C@@H]1CN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)CC(C)(C)O1 1327023735 KCSJOZMIIAMULT-ABAIWWIYSA-N 309.366 -0.111 30 20 DBED CN1CC[C@@](O)(CNC(=O)C(=O)Nc2ccc(C#N)cn2)C1 1327828740 WYFYILOXLUPSSA-CQSZACIVSA-N 303.322 -0.925 30 20 DBED C=CC[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)CC)C(=O)OCC 1328350774 UACCMPSCRPPFSS-NXEZZACHSA-N 306.384 -0.062 30 20 DBED N#CC1CCN(C(=O)C(=O)N2CC[C@H]3NC(=O)CC[C@@H]3C2)CC1 1329646845 DQHIHAMSQVUXFC-CHWSQXEVSA-N 318.377 -0.124 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N1CC[C@](O)(C2CC2)C1 1330430849 RFCOAIDTKOEAHU-XJKSGUPXSA-N 308.378 -0.096 30 20 DBED C=CCN(C[C@H](O)C[C@]1(O)CCOC1)[C@H]1CCS(=O)(=O)C1 1335565832 QECLYSWJLULFOS-BFHYXJOUSA-N 319.423 -0.436 30 20 DBED C=CCn1c(CO)nnc1N(CCS(C)(=O)=O)C1CC1 1339042824 GMCIGZKRHAQUAO-UHFFFAOYSA-N 300.384 -0.030 30 20 DBED C#CC1(O)CCN(C(=O)NC[C@@H]2CC[C@H](C(=O)N(C)C)O2)CC1 1346391499 XWXGFLSLRQIRCX-QWHCGFSZSA-N 323.393 -0.208 30 20 DBED C#CCN(C)C(=O)C(=O)Nc1cnn(C(C)(C)C(=O)OC)c1 1346862878 XZNHEQKMSKJUMB-UHFFFAOYSA-N 306.322 -0.179 30 20 DBED C[C@H](C#N)CN(C)C(=O)C(=O)N(C)CC(C)(C)S(C)(=O)=O 1348898577 FAMACNJHGSOZLJ-SNVBAGLBSA-N 317.411 -0.114 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N1CCN([C@H]2CCOC2)CC1 1350816963 GPPNMQSDTXMNMX-STQMWFEESA-N 311.382 -0.763 30 20 DBED C#CC1(O)CN(C(=O)Cc2ccc(S(=O)(=O)NC)cc2)C1 1355175832 WOPPJFQKKYTCCG-UHFFFAOYSA-N 308.359 -0.656 30 20 DBED CNC(=O)[C@H](C#N)C(=O)c1cc(S(=O)(=O)N(C)C)c(C)o1 1356043941 XBQYYJLTTJBBHF-MRVPVSSYSA-N 313.335 -0.093 30 20 DBED C[C@H](C#N)C(=O)N(C)C[C@H]1CCCN1C(=O)Cn1cnnn1 1369595597 NNBREBBITYEJBH-GHMZBOCLSA-N 305.342 -0.718 30 20 DBED COCC(=O)N(C)CC(=O)N1CCCN(C(=O)[C@H](C)C#N)CC1 1385322817 WRNDTLWBPZQCQD-GFCCVEGCSA-N 324.381 -0.688 30 20 DBED Cc1ccn(CC(=O)N2CC(CNC(=O)[C@@H](C)C#N)C2)c(=O)c1 1389925285 WLNVLOAUUVELFG-LBPRGKRZSA-N 316.361 -0.109 30 20 DBED N#Cc1ccc(C(=O)NC[C@@H](O)CNC(=O)[C@@H]2CCCCO2)[nH]1 1392058925 BBBPTZGAKGXEKC-YPMHNXCESA-N 320.349 -0.338 30 20 DBED COc1c[nH]c(C(=O)N2CC(CNC(=O)[C@@H](C)C#N)C2)cc1=O 1398816602 SVNORQMWZJGXRR-VIFPVBQESA-N 318.333 -0.269 30 20 DBED N#Cc1ncn(CC(=O)NC2CCN(C[C@H]3CCOC3)CC2)n1 1412574016 HFOPEMXHYQVYNM-GFCCVEGCSA-N 318.381 -0.233 30 20 DBED C=C(Cl)CN1CC(O)(CNC(=O)c2ccn3nnnc3c2)C1 1421464414 OZUKDNKLAQYTIS-UHFFFAOYSA-N 322.756 -0.347 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C(=O)[C@H]1CCCC(=O)N1)C1CC1 1429943380 GRPZSZOWBWWQAB-CMPLNLGQSA-N 306.366 -0.078 30 20 DBED C[C@H](C#N)C(=O)NCCN1CCN([C@@H]2CCN(C)C2=O)CC1 1436699725 OJGQXMSTRYZDOH-CHWSQXEVSA-N 307.398 -0.889 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CC[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)CC1 1451367128 JCKVZBSMJKPQGL-NGDQXYMTSA-N 306.366 -0.189 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CNC(=O)C2(NC(N)=O)CC2)CC1 1453832058 BHFWHQAADNFKMK-SNVBAGLBSA-N 321.381 -0.298 30 20 DBED C[C@H](C#N)C(=O)N(CCNC(=O)c1ccc(=O)n(C)n1)C1CC1 1497571274 TYYBQVJHKJXVEL-SNVBAGLBSA-N 317.349 -0.339 30 20 DBED CN(CCN(C)C(=O)c1cc(C#N)c[nH]1)C(=O)c1cn(C)nn1 1532936053 DPAWVNYXEMJVRC-UHFFFAOYSA-N 315.337 -0.141 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(c2cnc(-c3nn[nH]n3)cn2)CC1 1573569593 BXVQQVQXMGBOBH-VIFPVBQESA-N 313.325 -0.535 30 20 DBED N#Cc1csc(CNS(=O)(=O)N2CCC[C@H]2C(=O)O)n1 1574493498 MOJOOZKHZWJVMN-QMMMGPOBSA-N 316.364 -0.102 30 20 DBED C[C@@H](O)C[C@@H]1COCCN1c1cnc(C#N)c(-c2nn[nH]n2)n1 1575479556 DTEIJOWXMDLKKB-RKDXNWHRSA-N 316.325 -0.496 30 20 DBED N#Cc1nc(N2CCN3C(=O)OC[C@@H]3C2)cnc1-c1nn[nH]n1 1581879461 MGDOEBVOVCFMDS-ZETCQYMHSA-N 313.281 -0.831 30 20 DBED C#CCCNC[C@H](O)CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 1588347797 YMTZQMFGPILMRN-JTQLQIEISA-N 317.353 -0.759 30 20 DBED C#CCN(CC(=O)NC[C@@](C)(O)C(=O)O)C(=O)OC(C)(C)C 1588394412 CLCREMZNFXSECS-CQSZACIVSA-N 314.338 -0.192 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N1CCC[C@H](C(=O)O)C1 1588448024 WGCQTDFCJKOXQW-LBPRGKRZSA-N 310.350 -0.192 30 20 DBED C#CCNC(=O)CN(C)CCN(C(=O)[C@H]1C[C@@H]1C(=O)O)C(C)C 1588484098 PVQGBCSCKDXDNO-STQMWFEESA-N 323.393 -0.375 30 20 DBED C[C@@H](C(=O)NCC(=O)O)N1CCN(c2ccc(C#N)cn2)CC1 1589399941 ICSHGZBTPWQNDM-NSHDSACASA-N 317.349 -0.335 30 20 DBED N#Cc1ccc(NCCN(CCO)C(=O)[C@H]2C[C@@H]2C(=O)O)nc1 1601107840 NJQXNDDRGXRNOG-RYUDHWBXSA-N 318.333 -0.093 30 20 DBED C#C[C@@H](CO)NC(=O)[C@H](C#N)Cc1ccc(-c2nn[nH]n2)cc1 1602687592 CTBOEEZWPMXUSU-STQMWFEESA-N 310.317 -0.341 30 20 DBED C[C@](O)(C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[nH]1)C1CCC1 1603691441 UAWHRWIIJOYFNA-GFCCVEGCSA-N 302.298 -0.049 30 20 DBED COCC[C@@](C)(O)CNc1cnc(-c2nn[nH]n2)c(C#N)n1 1605078519 ILASATFVHBLCCO-GFCCVEGCSA-N 304.314 -0.272 30 20 DBED COCC[C@](C)(O)CNc1cnc(-c2nn[nH]n2)c(C#N)n1 1605078523 ILASATFVHBLCCO-LBPRGKRZSA-N 304.314 -0.272 30 20 DBED COC(=O)CN(CC#N)S(=O)(=O)c1occc1C(=O)O 1606464236 SHOGTRZDSHFWGW-UHFFFAOYSA-N 302.264 -0.335 30 20 DBED N#CCN(CC(=O)O)S(=O)(=O)Cc1noc(C2CC2)n1 1608184325 VYUMNTYEQJLYDM-UHFFFAOYSA-N 300.296 -0.313 30 20 DBED C#CCNC(=O)CN(CCCNC(=O)c1cc[nH]n1)C1CC1 1752243558 QHCCIFJKPGJJCG-UHFFFAOYSA-N 303.366 -0.257 30 20 DBED C=CC(C)(C)C(=O)NCCN1CCN(Cc2nnn(C)n2)CC1 1752370679 LVDWWLCSLJCEEV-UHFFFAOYSA-N 321.429 -0.344 30 20 DBED N#CCN[C@@H](CNC(=O)[C@@H]1COCCN1CC(F)F)C1CC1 1752472432 IVHIMPLLLDPMKJ-RYUDHWBXSA-N 316.352 -0.040 30 20 DBED COCC#CCNC[C@@H]1CCCN(C(=O)[C@@H]2CCC(=O)NC2)C1 1752801319 KFVPLALDSGRJLU-LSDHHAIUSA-N 321.421 -0.009 30 20 DBED C#CCCN1CCN(CCN(C)C(=O)[C@H]2CC[C@H]2C(N)=O)CC1 1753342275 NPEXWJKLUVTQTM-CABCVRRESA-N 320.437 -0.403 30 20 DBED CC#CCN1CCN(CCN(C)C(=O)[C@@H]2CCNC(=O)C2)CC1 1753342554 VICPSJMTVMWHDK-OAHLLOKOSA-N 320.437 -0.388 30 20 DBED C=CCN(CC=C)C(=O)CN1CC[C@H](N(C)C(=O)CC(N)=O)C1 1753432731 VBQHGVWEOMLUGR-ZDUSSCGKSA-N 322.409 -0.405 30 20 DBED CCO[C@@H](C(=O)N(C)[C@H]1CCN(CC(=O)NCC#N)C1)C1CC1 1753438092 RVRIAXVJVSLFPX-DZGCQCFKSA-N 322.409 -0.026 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(CCN2CCCC2=O)CCO1 1753649606 YDIIUQXLTCAAQS-HNNXBMFYSA-N 319.405 -0.161 30 20 DBED N#CCNC(=O)CNC[C@H]1CCC[C@H]1NC(=O)[C@@H]1[C@H]2COC[C@H]21 1753895212 MBENOAVYRUZJNY-VVSAWPALSA-N 320.393 -0.607 30 20 DBED C=CCNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)c1cccc(C)n1 1753904727 ACYAJHUGAUGDED-QWHCGFSZSA-N 320.393 -0.239 30 20 DBED C=CCCCNC[C@H](O)CNC(=O)[C@@H]1CCCN(C(N)=O)C1 1753918508 NZDGRVCRUHXGFF-OLZOCXBDSA-N 312.414 -0.190 30 20 DBED C#CCNC(=O)CNC[C@H](O)CNC(=O)C1(C(F)F)CCC1 1753926879 YSJXTNJJEWHHKL-JTQLQIEISA-N 317.336 -0.762 30 20 DBED C=CCNC(=O)[C@H](C)NCCN(CC)C(=O)c1cn(C)c(O)n1 1754065084 RHBSEEDGGZNEOW-NSHDSACASA-N 323.397 -0.132 30 20 DBED C#CCN1CCC(C(=O)N(CC)CCNCC(=O)NC)CC1 1754084886 OUOKNHSQAVSGKN-UHFFFAOYSA-N 308.426 -0.484 30 20 DBED CCN1CCCC[C@H]1C(=O)NC[C@H]1CCN1CC(=O)NCC#N 1754504050 CHHIJVFFMCLFNU-KGLIPLIRSA-N 321.425 -0.309 30 20 DBED COCC#CCN1CC[C@@](O)(CNC(=O)Cc2cnn(C)c2)C1 1754746562 VPKJGHIDGWGFDC-MRXNPFEDSA-N 320.393 -0.835 30 20 DBED C=CCNC(=O)CN1CC[C@@](O)(CNC(=O)C[C@@H](C)OC)C1 1754746674 XWSDNDDWUOXDTF-IUODEOHRSA-N 313.398 -0.733 30 20 DBED CC(C)(C)C#CC(=O)NCC1(O)CN([C@H]2CCC(=O)NC2=O)C1 1754768042 YIEKYXXPKDBDAG-NSHDSACASA-N 321.377 -0.996 30 20 DBED C=CCN1CCC[C@@](CO)(NC(=O)c2cccn3nnnc23)C1 1754857051 YGFFXPOOVWLXPN-OAHLLOKOSA-N 316.365 -0.133 30 20 DBED C=C(C)CN1CC2(C[C@H](NC(=O)C[C@H](C)NC(N)=O)CO2)C1 1755061419 KDPYZZPNCKHQAG-RYUDHWBXSA-N 310.398 -0.031 30 20 DBED COCC#CCN1CC(N2CCN(C(=O)[C@H](O)C(C)C)CC2)C1 1755145335 KICBAXYXKXSYFR-MRXNPFEDSA-N 323.437 -0.519 30 20 DBED C#CCNC(=O)CN[C@H](C)[C@H](C)NC(=O)Cn1ccnc1C 1755271096 VJHRGVBXVJHHQK-NEPJUHHUSA-N 305.382 -0.576 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1[C@@H]2CN(Cc3cnn(C)n3)C[C@@H]12 1755420692 NNPPEYABMHYXPC-DZKIICNBSA-N 319.409 -0.064 30 20 DBED C=C(C)CCC(=O)NC[C@H]1[C@@H]2CN(C(=O)[C@H]3CNC(=O)N3)C[C@H]12 1756202588 ASEAIEGFGOTIMD-FVCCEPFGSA-N 320.393 -0.155 30 20 DBED C#CCCCC(=O)NC[C@H](CO)NC(=O)c1cn2c(n1)CCC2 1756514830 AIKDBEPHAMBXMH-GFCCVEGCSA-N 318.377 -0.160 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@H](CO)NC(=O)c1ncccc1O 1756515470 MHTYRLHYCSPPHI-BMIGLBTASA-N 323.349 -0.679 30 20 DBED C[C@@H]1CCN(CC(=O)NC[C@H](CO)NC(=O)C#CC(C)(C)C)C1 1756549961 KGIXQYFGOAWIDI-ZIAGYGMSSA-N 323.437 -0.029 30 20 DBED CC[C@H](NN=C1CS(=O)(=O)N2C[C@@H](OC)C[C@]12C)C(=O)O 1776067101 PVISEIBEZSBSJL-HOTUBEGUSA-N 319.383 -0.382 30 20 DBED O=C(O)c1cc(C=NN2C(=O)[C@@H]3[C@H]4C=C[C@@H](O4)[C@@H]3C2=O)c[nH]1 1776102301 LZUZGWGDEWLBMC-DBIOUOCHSA-N 301.258 -0.015 30 20 DBED C=CCN(CC=C)S(=O)(=O)N(CCC(=O)OC)CC(=O)O 1776177257 LJMMRGVRNRJYBJ-UHFFFAOYSA-N 320.367 -0.145 30 20 DBED C[C@@H](C(=O)O)N(C)S(=O)(=O)CCOC1(C#N)CCOCC1 1776226228 YWSSQRXAIIEHNV-JTQLQIEISA-N 320.367 -0.190 30 20 DBED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](CC)NC)C[C@@H]21 1790790486 CMXHUWDZFXVCJC-XUXIUFHCSA-N 307.394 -0.403 30 20 DBED C[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)C#N 1792636239 KVKZQDHRXWIIET-YFKTTZPYSA-N 309.366 -0.493 30 20 DBED N#CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1C[C@H](O)CN1 1799920981 AKCQJDAAMMJTIK-PPCPHDFISA-N 306.366 -0.739 30 20 DBED C#CCCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(O)O)C2 1801162601 RHASBYXYNPREBE-DABQJJPHSA-N 324.377 -0.920 30 20 DBED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CC(=O)C1)C2 1802025148 LOKGNXOKWMGGRO-YWVIFJGQSA-N 318.373 -0.032 30 20 DBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(C)=O)C2)C1 1831391114 HCVCNZGZKASANK-CJNGLKHVSA-N 324.377 -0.499 30 20 DBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCOC3)C2)C1 1839810991 AFKZXEHVBWJDTG-BBRMVZONSA-N 322.361 -0.888 30 20 DBED Cc1ncc(C(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)[nH]1 1846194816 RUWXCWVEJXFBHQ-UHFFFAOYSA-N 316.317 -0.377 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C(O)O)cc1 1847446196 CYQSGTYSBMXGST-STQMWFEESA-N 315.329 -0.316 30 20 DBED C[C@@H](C(N)=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 16635003 ZIQIFUOTOKGFGA-NSHDSACASA-N 322.390 -0.262 30 20 DBED C#CCN1CCN(C(=O)Cc2c(C)[nH]c3ccnn3c2=O)CC1 112920952 GGUNWTIJSAYKLF-UHFFFAOYSA-N 313.361 -0.349 30 20 DBED C[C@@H](C#N)CN(C)C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 148264278 YTBVSKMUTLVTIE-VIFPVBQESA-N 318.337 -0.948 30 20 DBED C=CCN(CC=C)C(=O)[C@@H](C)N1CCN2C(=O)C(=O)NC[C@@H]2C1 152671437 VRIPWEARHRHMCG-CHWSQXEVSA-N 320.393 -0.782 30 20 DBED C=CCSCCNC(=O)C(=O)N(C[C@H](C)O)[C@@H](C)CO 286587772 VSZNTJCCRLFELP-QWRGUYRKSA-N 304.412 -0.388 30 20 DBED C[C@@H](CO)CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 291375788 VFFDVCBMKCFCAV-SNVBAGLBSA-N 311.363 -0.419 30 20 DBED C/N=C(/O)NC(=O)CCN1CCN(Cc2cnn(C)c2)CC1 330668882 YHAPYAAYDSGAQP-UHFFFAOYSA-N 308.386 -0.412 30 20 DBED CN(C)C(=O)[C@@H]1CC[C@H](C/N=C(/O)NCC(F)(F)CO)O1 330961433 BAPFNXPFDFDTFU-BDAKNGLRSA-N 309.313 -0.247 30 20 DBED COC(=O)[C@@H]1CCCCN1S(=O)(=O)N1CCO[C@H](C#N)C1 336954452 XPZQMYBJPSWNGR-MNOVXSKESA-N 317.367 -0.517 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N1C[C@H](O)C[C@@H]1C(=O)OC 337055825 CAGCZLKAQSGYJJ-GMTAPVOTSA-N 319.383 -0.679 30 20 DBED CCN(CCC#N)S(=O)(=O)NCC1CCN(CCO)CC1 337103269 XUYMBWSDYQXOKZ-UHFFFAOYSA-N 318.443 -0.239 30 20 DBED C=CC[C@@H](CO)CNC(=O)C(=O)Nc1ccc(CC(N)=O)cc1 341434651 PYNZUYNFPULHHA-GFCCVEGCSA-N 319.361 -0.046 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)NCCCN(C)CCN(C)C 341633869 AHRBQSQMALMFLU-ZDUSSCGKSA-N 319.475 -0.204 30 20 DBED COc1cc(C#N)ccc1S(=O)(=O)N[C@@H]1CC(=O)N(C)C1=O 344810964 AWJVFTMPWHJCBF-SECBINFHSA-N 323.330 -0.398 30 20 DBED N#CCNC(=O)CNC(=O)N1CCO[C@H](COCC2CC2)C1 358295009 NYRCHIOVSXBRGA-LBPRGKRZSA-N 310.354 -0.537 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)c2cc(OC)no2)CC1 363833422 YIDSTTJAXIKURT-UHFFFAOYSA-N 320.349 -0.420 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCN(S(=O)(=O)NC(C)C)CC1 457860069 NNEMLQJYVDVOTJ-CYBMUJFWSA-N 319.427 -0.300 30 20 DBED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)C(=O)O)c1 490819487 IGMBWTDTMKURJZ-SECBINFHSA-N 310.331 -0.199 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)C[C@H]2CCC(=O)[C@H]2C)CC1 491729179 FFZGAVADIORRKA-UONOGXRCSA-N 319.405 -0.115 30 20 DBED CC[C@H](C#N)NC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C 545948597 ZDFJVUYMYDBJEF-MRVPVSSYSA-N 303.322 -0.392 30 20 DBED N#Cc1c[nH]c(=O)n(CC(=O)N2CCc3ccccc3C2)c1=O 563126582 GKMAYUZWHSGOEX-UHFFFAOYSA-N 310.313 -0.007 30 20 DBED CN(CCC#N)C[C@H](O)CNCC1(CS(C)(=O)=O)CCC1 570082655 PIMOWVBCWGIRRY-CYBMUJFWSA-N 317.455 -0.003 30 20 DBED N#Cc1ccc(OC[C@@H](O)CNCCN2CCNC(=O)C2)cc1 574033810 MJCJDRATVBEVLD-AWEZNQCLSA-N 318.377 -0.681 30 20 DBED COC(=O)[C@@H]1CNC(=O)CN1C(=O)c1c(F)cc(C#N)cc1F 580452106 RKSWTKBQSRBRER-JTQLQIEISA-N 323.255 -0.050 30 20 DBED CN(CC(=O)NC1(C#N)CCC1)[C@H]1CCN(S(C)(=O)=O)C1 580612429 BPCPDVLFKZJKIU-NSHDSACASA-N 314.411 -0.485 30 20 DBED N#CC1CN(C(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)C1 590490876 RLIFYZHYMNWXLS-CYBMUJFWSA-N 306.366 -0.851 30 20 DBED COCCN(CCC#N)C(=O)[C@@H]1CCCN(S(N)(=O)=O)C1 597135180 HYQLBUSJNTXAEF-LLVKDONJSA-N 318.399 -0.709 30 20 DBED C[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](C#N)C2)CC[C@@H]1C(=O)O 600798519 CERANCMWKAVCMX-MXWKQRLJSA-N 309.322 -0.693 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(C)C2(COC)CC2)C1=O 617472233 IKFZZLNQROBCFY-UHFFFAOYSA-N 309.322 -0.399 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N1CC(=O)N(CC2CC2)C1 619714506 WIPUBSKEMXXZEG-SNVBAGLBSA-N 300.384 -0.166 30 20 DBED C=CCOCCN1C(=O)N[C@H](CC(=O)N2CCOCC2)C1=O 645028727 XJXTZODTWQVZRS-LLVKDONJSA-N 311.338 -0.642 30 20 DBED C=CCOCCCNC(=O)NCCNS(=O)(=O)N(C)C 665005061 DKLOWSYXTYYLPD-UHFFFAOYSA-N 308.404 -0.726 30 20 DBED C#CCCN(CC(F)(F)F)C(=O)CN1C(=O)C(=O)N(C)C1=O 767164377 FTOHXPGSPPYEOB-UHFFFAOYSA-N 319.239 -0.179 30 20 DBED C#C[C@H](N[C@H](C)C(=O)N1CCC[C@@H](C(N)=O)C1)[C@@H]1CCCO1 775797096 ALESWDOCZSFQPB-MQYQWHSLSA-N 307.394 -0.131 30 20 DBED CC(=O)N(C)CC(=O)NS(=O)(=O)CC1(C#N)CCCC1 779321129 KLYQSOVZAMREDE-UHFFFAOYSA-N 301.368 -0.005 30 20 DBED C#CCC[C@@H](O)CNC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 799085271 OATCJMKYHCMYQV-ZZVJUGKHSA-N 316.357 -0.316 30 20 DBED CCN(CCC#N)S(=O)(=O)NCCS(=O)(=O)CC1CC1 800082305 IBYQNENFOUZRHB-UHFFFAOYSA-N 323.440 -0.119 30 20 DBED C#CCCS(=O)(=O)N1CCC[C@H]1C[C@@]1(C)NC(=O)NC1=O 808312590 YEQZCFVARNVEJL-GXFFZTMASA-N 313.379 -0.208 30 20 DBED C[C@@](C#N)(CC(=O)O)C(=O)N1CCC(CS(N)(=O)=O)CC1 819811465 PCJVZBBJLIDMOU-LBPRGKRZSA-N 317.367 -0.482 30 20 DBED C[C@@](C#N)(CC(=O)O)C(=O)NCCS(=O)(=O)CC1CC1 819842237 LTPPMPRTRCKATP-LBPRGKRZSA-N 302.352 -0.068 30 20 DBED CN(C)CC#CCNC(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1 823674942 IYFGEYFTXSCYKV-LBPRGKRZSA-N 303.366 -0.546 30 20 DBED CCN1C[C@H](NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CC1=O 836613161 ZHJDKBUCJLUDEK-YPMHNXCESA-N 305.382 -0.011 30 20 DBED C#CCCN1CCN(C(=O)c2nc(N)nc(N(C)C)n2)CC1 846632870 UCGLHSLIYCJDLZ-UHFFFAOYSA-N 303.370 -0.699 30 20 DBED COC(=O)CCN1CC[C@H](n2ccc(C=NO)nc2=O)C1=O 853670884 WTVIGXGIKKOKMU-JTQLQIEISA-N 308.294 -0.612 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)Cn1ccccc1=O 894035725 LFBPZFRJTWDSLO-JTQLQIEISA-N 307.306 -0.208 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2[nH]cnc2CC)CC1 906555708 KYRFHSRTBQUABF-UHFFFAOYSA-N 303.366 -0.521 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)[C@H]3COC(=O)N3)C2)[nH]1 940061225 XZIUJGGPPKOHPE-MWLCHTKSSA-N 317.305 -0.675 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](NC(=O)c2cnc3[nH]nnc3c2)C1 941095210 KZNCBDSLKIRUAS-PSASIEDQSA-N 313.321 -0.157 30 20 DBED C=CCN1CC[C@H](NC(=O)CN2CCC(=O)NC2=O)[C@H](C)C1 944016570 MTSXDYPKLDXRAM-NEPJUHHUSA-N 308.382 -0.059 30 20 DBED Cc1cnc(C(=O)NC[C@H]2CN(C(=O)[C@H](C)C#N)CCO2)cn1 944455271 CVAOTKNEIYTIEJ-PWSUYJOCSA-N 317.349 -0.098 30 20 DBED Cc1nn(C)cc1C(=O)NC[C@@H]1CN(C(=O)[C@@H](C)C#N)CCO1 944515618 JDLDEOCMROGKHH-CMPLNLGQSA-N 319.365 -0.155 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)c2n[nH]cc2F)C1 944763600 ZXMLLCZIMGYKII-IUCAKERBSA-N 309.301 -0.334 30 20 DBED C=CCCN1CC[C@H](NC(=O)CN2C(=O)CNC2=O)[C@@H](C)C1 944790956 SMKTUOBHZQXBHV-RYUDHWBXSA-N 308.382 -0.059 30 20 DBED CN(C(=O)[C@@H]1COCCN1C)C1CN(C(=O)C#CC2CC2)C1 954098403 GVMBLBSAZOIRPW-AWEZNQCLSA-N 305.378 -0.600 30 20 DBED C[C@H](C#N)C(=O)N1CCC(N(C)C(=O)[C@@H]2CN(C)C(=O)N2)CC1 954133825 QPIXPUZTYIPWOF-PWSUYJOCSA-N 321.381 -0.381 30 20 DBED N#CCN1C[C@H](CNC(=O)c2cc3c([nH]2)CCOC3)[C@@H](O)C1 958130174 CNNKPAQXRMOHBF-FZMZJTMJSA-N 304.350 -0.367 30 20 DBED C=C(C)CN1C[C@H](CNC(=O)c2cn(C)c(=O)cn2)[C@@H](O)C1 958271596 HEACEYQHNQDRJK-AAEUAGOBSA-N 306.366 -0.621 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2c(C)nn3cccnc23)C1 958692426 AFLIGIKNWBQVTG-OLZOCXBDSA-N 313.361 -0.307 30 20 DBED C#CCN1C[C@H]2[C@H](NC(=O)[C@@H]3CC(=O)N(c4cn[nH]c4)C3)[C@H]2C1 959871544 KTSIXPOHHUGCRB-PBOSXPJTSA-N 313.361 -0.558 30 20 DBED C=C(Cl)CN1C[C@H]2[C@H](NC(=O)c3cnc(O)n(C)c3=O)[C@H]2C1 961465330 GAKOARMREKIEBB-URLYPYJESA-N 324.768 -0.102 30 20 DBED Cc1nn[nH]c1C(=O)N1C[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2C1 962031534 SYYCZNHUXQFPJF-IEBDPFPHSA-N 302.338 -0.197 30 20 DBED C#Cc1ccc(C(=O)NC2[C@@H]3CN(Cc4nc(O)n[nH]4)C[C@@H]23)nc1 962341633 JPEIJXFWYSTHKZ-GHMZBOCLSA-N 324.344 -0.253 30 20 DBED C[C@@H](C#N)C(=O)N1CCCC[C@@H]1CNC(=O)[C@H]1CCC(=O)N1 964575263 NKUODXJEXUHFIL-QJPTWQEYSA-N 306.366 -0.078 30 20 DBED C[C@H](C#N)C(=O)N1CCOC2(CN(C(=O)[C@H]3CCOC3)C2)C1 965466784 QIHILDIGRSYINW-NEPJUHHUSA-N 307.350 -0.378 30 20 DBED CN1CCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 968617450 ZFLHZJUVTKIGOB-ILXRZTDVSA-N 319.405 -0.428 30 20 DBED CC#CCN1CCO[C@@]2(CCN(C(=O)[C@@H]3CCC(=O)N3C)C2)C1 972502348 OUHINUCUAMYXIR-YOEHRIQHSA-N 319.405 -0.066 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)c3ncn(C)n3)C2)nc1 973233752 MGCWKQQRMNIVHP-HAQNSBGRSA-N 324.344 -0.118 30 20 DBED C=CCN1C[C@@H](NC(=O)CN2CCN(C)C(=O)C2)C(C)(C)C1 974748095 DRMJTENLQTZYAN-CYBMUJFWSA-N 308.426 -0.227 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)C[C@H]3CCC(=O)N3)[C@H]2C1 976832259 ZJMCQEUSGMNAQM-ZRDGONRFSA-N 304.350 -0.612 30 20 DBED C=CCN1C[C@H](NC(=O)CN2CC(=O)N(C)C2=O)C(C)(C)C1 977471114 QTFNGPHHSFNFBB-NSHDSACASA-N 308.382 -0.107 30 20 DBED C=CCCn1cc(C(=O)NCC2[C@@H]3CN(CCO)C[C@@H]23)nn1 978811349 BRIJBJCHIGPGSL-STQMWFEESA-N 305.382 -0.246 30 20 DBED C#CCN1CCC(C(=O)NCC2[C@@H]3CN(CC(N)=O)C[C@@H]23)CC1 979090203 OVBIMYFAHXRGQB-GJZGRUSLSA-N 318.421 -0.889 30 20 DBED CN1CCN(CC(=O)N2CCC(N(C)CC#N)CC2)CC1=O 985505241 KCCMIZHELKJXKA-UHFFFAOYSA-N 307.398 -0.793 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)C3(C(N)=O)CC3)C[C@H]2C1 986596133 LEBRFQJAYDMXMX-TUAOUCFPSA-N 318.377 -0.282 30 20 DBED Cc1nc(CC(=O)N[C@H]2CCN(C(=O)[C@H](C)C#N)[C@@H]2C)n[nH]1 987873358 BJAREUDXALQSME-KKZNHRDASA-N 304.354 -0.079 30 20 DBED C=CCN[C@@H]1C[C@H](C)N(C(=O)CN2CCS(=O)(=O)CC2)C1 989788342 FCJVVGFAXGVTSQ-QWHCGFSZSA-N 315.439 -0.518 30 20 DBED CN1C[C@@H](C(=O)N2CC(NC(=O)c3cc(C#N)c[nH]3)C2)CC1=O 990703464 KEXIYKQNEIGELF-JTQLQIEISA-N 315.333 -0.695 30 20 DBED N#Cc1ccc(C(=O)NC2CN(C(=O)c3ccc(O)nn3)C2)[nH]1 990884018 GZQLXLCDAKCFTN-UHFFFAOYSA-N 312.289 -0.364 30 20 DBED C=CCn1cc(C(=O)N2CC(NC(=O)CN3CCCC3)C2)nn1 991747256 JPYYUSZYROUTSF-UHFFFAOYSA-N 318.381 -0.500 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC(NC(=O)C34CCN(CC3)C4)C2)c1 996470684 WURVCQOSZYDFKN-UHFFFAOYSA-N 313.361 -0.077 30 20 DBED C=CCN1CC[C@H](N2CCC(NC(=O)c3cnn[nH]3)CC2)C1=O 1003231461 OKAZUFGXKBOECT-ZDUSSCGKSA-N 318.381 -0.214 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(CNC(=O)c2nc[nH]n2)C1 1003685817 RCGMRXVHQQRKSW-RYUDHWBXSA-N 319.365 -0.026 30 20 DBED Cc1ncnc(O)c1C(=O)NCC1CN(C(=O)[C@H](C)C#N)C1 1003764333 VZPKUIHJJNXLGR-MRVPVSSYSA-N 303.322 -0.162 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2C(CNC(=O)c3cnc(O)n3C)[C@H]2C1 1009333759 FTCOWZMTBAJMDU-FBIMIBRVSA-N 317.349 -0.280 30 20 DBED C=CCN1CC[C@@H](N2CC[C@@H](NC(=O)c3cnnn3C)C2)C1=O 1010831067 QUAPLDPZWHRAAO-VXGBXAGGSA-N 318.381 -0.594 30 20 DBED O=C(NC1[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]12)c1cnnc(O)c1 1013265088 KFWPGKQTUZABDA-VXGBXAGGSA-N 312.329 -0.218 30 20 DBED Cc1nonc1C(=O)NC[C@H]1CN(C(=O)[C@@H](C)C#N)CCCO1 1019612951 FRIQQBRNJNAWIQ-ONGXEEELSA-N 321.337 -0.115 30 20 DBED C#CCCN1[C@H]2CC[C@H]1CC(NC(=O)[C@@H]1CC(=O)NC(=O)N1)C2 1021394481 LVDAENUVPAJDBA-AVGNSLFASA-N 318.377 -0.281 30 20 DBED C#CCN1CCC[C@@H]1CNC(=O)c1ccc(S(N)(=O)=O)o1 1027994437 NIKBBXGENTYFDH-SNVBAGLBSA-N 311.363 -0.246 30 20 DBED Cc1nc(C(=O)NC[C@H]2CCCN2CC#N)nn1-c1nc[nH]n1 1028061457 QXGJFIZCXULJCN-SNVBAGLBSA-N 315.341 -0.588 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1CCCN([C@H](C)C(N)=O)C1 1030031505 XDHPTOJZYFVWPV-RDBSUJKOSA-N 306.410 -0.462 30 20 DBED N#CCN1CC(NC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1 1030948774 PYWVQUSYSACZCL-QWHCGFSZSA-N 306.366 -0.520 30 20 DBED Cn1cc(C(=O)N[C@H]2CC[C@H](NCC#N)CC2)c(O)nc1=O 1034793312 WLTKTQWPNAJBKT-MGCOHNPYSA-N 305.338 -0.360 30 20 DBED C=C(C)CN1CCO[C@H](CNC(=O)C2CS(=O)(=O)C2)C1 1035382235 AIDSAQJPAPHYBV-GFCCVEGCSA-N 302.396 -0.576 30 20 DBED C#CCN[C@@H]1CCN(C(=O)CN2CCN(C)C(=O)C2)C[C@H]1CC 1037867528 CHRZCIBREYPCAX-HUUCEWRRSA-N 320.437 -0.390 30 20 DBED CC(=O)N[C@@H](C)C(=O)N1CC[C@](O)(CNC(=O)C#CC2CC2)C1 1039677211 FQFYBBSPOBPSFG-ZBEGNZNMSA-N 321.377 -0.996 30 20 DBED Cn1ccc(C(=O)N[C@@H]2CN(c3cncc(C#N)n3)C[C@H]2O)c1 1040987772 PEERGNCLTYGSOS-CHWSQXEVSA-N 312.333 -0.334 30 20 DBED C=C[C@@H](C)[C@@H](C)C(=O)N1CC(O)(CNC(=O)CNC(C)=O)C1 1041216571 ZUGNWCFHVVSQMF-GHMZBOCLSA-N 311.382 -0.730 30 20 DBED N#Cc1cncc(NC[C@H]2CN(C(=O)CC(N)=O)CCCO2)n1 1041486194 GAJKWJZKHRCVRI-NSHDSACASA-N 318.337 -0.747 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)CC[C@@H]2CCCO2)C1 1041591852 VXIZEAVQVSJYAM-NEPJUHHUSA-N 309.366 -0.205 30 20 DBED N#Cc1nccnc1N[C@H]1C[C@H]2CC[C@H]1N(C(=O)C(N)=O)C2 1041678437 GXCOZUIKTLBILE-WCABBAIRSA-N 300.322 -0.375 30 20 DBED C=CCN1CC[C@H]2CCN(C(=O)CN3CCOCC3=O)C[C@@H]21 1042098973 VJWOWXYKZRHSMR-KBPBESRZSA-N 307.394 -0.046 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)Cc2cccnc2)C1 1042562339 ZZZBJCJZPSLFJM-LLVKDONJSA-N 302.334 -0.527 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)c2coc(C)c2)C1 1042772347 OKMGYSFGIDXPOD-UHFFFAOYSA-N 320.345 -0.069 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(O)CN(C(=O)[C@@H](C)COC)C1 1042806880 MAWLNHQXMOCSJP-SMDDNHRTSA-N 314.382 -0.715 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)Cc2nnc(C)o2)C1 1044456557 WHGDZPXMJCOXSC-UHFFFAOYSA-N 322.365 -0.178 30 20 DBED Cc1c[nH]c(C(=O)N[C@@H]2CN(c3cnc(C#N)cn3)C[C@@H]2O)n1 1044634202 UQXSKXQXTQPLHR-MNOVXSKESA-N 313.321 -0.641 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)COc2ccccc2)C1 1045552966 YOJLGEHAZPKLBO-GFCCVEGCSA-N 317.345 -0.085 30 20 DBED CC(=O)N1CCO[C@@H](C(=O)N2CC[C@H]3CC[C@@H](C2)N3CC#N)C1 1045884784 RJWGKDIWOYTKCX-QLFBSQMISA-N 320.393 -0.177 30 20 DBED C#CCN1CC[C@H](N2CCN(C(=O)CCn3ccnn3)CC2)C1 1046024441 KWURUMLAQRRZKU-HNNXBMFYSA-N 316.409 -0.480 30 20 DBED C#CCNC(=O)CC(=O)N1CC(O)(CNC(=O)C2(CC)CC2)C1 1046135299 VWFRFLACGFSQDP-UHFFFAOYSA-N 321.377 -0.994 30 20 DBED N#Cc1nccnc1N[C@H]1C[C@H](CNC(=O)[C@H]2COC(=O)N2)C1 1046808573 FRQJRZVESSFZFJ-FXPVBKGRSA-N 316.321 -0.237 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCc3nn[nH]c32)C1 1047505816 XUEIZXIOCNTMKR-DRZSPHRISA-N 305.382 -0.086 30 20 DBED C#CCN1C[C@H]2CN(C(=O)c3ccc(S(N)(=O)=O)o3)C[C@H]2C1 1048919394 XQEBHGLROVJWRG-PHIMTYICSA-N 323.374 -0.436 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@]23COC[C@@H]2C3)C1 1048954002 SKMLOUSDWFKWQC-QCQGSNGOSA-N 324.377 -0.744 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)c2nccs2)C[C@@H]1O 1049395501 VJYCRJOHIZEQRC-GUBZILKMSA-N 308.363 -0.054 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)Cc2cncs2)C[C@@H]1O 1049402272 SCNRZOBHTCNBNI-DLOVCJGASA-N 322.390 -0.125 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cc2cnc[nH]2)C1 1049631521 MJFUSDSKTVMNIQ-STQMWFEESA-N 322.365 -0.815 30 20 DBED C[C@@H]1[C@@H](NC(=O)Cn2cnnn2)CCN1c1cnc(C#N)cn1 1050061138 JZDRZGFXSRFYPO-KOLCDFICSA-N 313.325 -0.882 30 20 DBED C[C@@H]1[C@@H](NC(=O)Cn2cnnn2)CCN1c1ccncc1C#N 1050061543 SCBWOTPYIRCQSN-PWSUYJOCSA-N 312.337 -0.277 30 20 DBED C#CCOCCC(=O)N[C@H](C)[C@@H]1CCN(C(=O)CC(N)=O)C1 1050351210 WNQQIJOIPZKLEG-VXGBXAGGSA-N 309.366 -0.745 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)[C@H]1CCCN(C(N)=O)C1 1051017954 UFPXWJOBNGLVLD-QWHCGFSZSA-N 308.382 -0.773 30 20 DBED Cc1nc(O)[nH]c1C(=O)N1CC[C@H](N2CCN(CC#N)CC2)C1 1052041658 OLHIEZAHEWHXQR-LBPRGKRZSA-N 318.381 -0.221 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)Cn3ccccc3=O)CO2)C1 1054003767 AHZKGHOVIPOFIX-LBPRGKRZSA-N 302.334 -0.669 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CC[C@H](CNC(=O)CNC(N)=O)CC1 1054808319 AZJABZIRBMEHKS-IJLUTSLNSA-N 323.397 -0.147 30 20 DBED CNC(=O)NCC(=O)N1C[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2C1 1055332543 ZSKCHAGFHPKFEX-BETUJISGSA-N 318.377 -0.754 30 20 DBED CN1C[C@@H](C(=O)N2CCN(c3cnc(C#N)cn3)CC2)NC1=O 1055974596 KQWFLXVEASLNCC-NSHDSACASA-N 315.337 -0.980 30 20 DBED C[C@H](C#N)C(=O)N[C@]1(CO)CCCN(C(=O)c2ncc[nH]2)C1 1056092700 CRRQHNPIBGBEHL-QMTHXVAHSA-N 305.338 -0.347 30 20 DBED CN1CCC[C@@H]1C(=O)N1CC[C@@H](N=c2cc[nH]c(C#N)n2)C1 1056585757 MTXWIZKRRAKORC-VXGBXAGGSA-N 300.366 -0.123 30 20 DBED CN1CC[C@@H](C(=O)N2CC[C@@H](N=c3cc[nH]cc3C#N)C2)C1=O 1056752691 GPJISKQVHICFEN-CHWSQXEVSA-N 313.361 -0.134 30 20 DBED CN(c1ccc(C#N)nn1)[C@H]1CCN(C(=O)Cn2cnnn2)C1 1056849310 BJPULGCCJFQRRE-NSHDSACASA-N 313.325 -0.928 30 20 DBED CN(c1ccnc(C#N)n1)[C@H]1CCN(C(=O)Cn2cncn2)C1 1056920445 ZZUZVYUIDLWXGK-NSHDSACASA-N 312.337 -0.323 30 20 DBED Cn1ncc(C(=O)N2CCCN(c3ccc(C#N)nn3)CC2)n1 1057154747 PZZYSYOVACALMC-UHFFFAOYSA-N 312.337 -0.171 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)CC[C@H](C)OC 1057400691 XIQCSXVEIRGPMO-ZDUSSCGKSA-N 316.398 -0.059 30 20 DBED C=CCC(C)(C)C(=O)NCCN(CCO)C(=O)c1cn(C)nn1 1057496184 IEXIYEFUQFAMAF-UHFFFAOYSA-N 323.397 -0.032 30 20 DBED C=CCO[C@H](C)C(=O)N(CCO)CCNC(=O)c1nc(C)c[nH]1 1057922823 GJTOLPRPQIYACU-GFCCVEGCSA-N 324.381 -0.140 30 20 DBED N#Cc1cccnc1N1CC[C@@H](NC(=O)C2CS(=O)(=O)C2)C1 1058456394 NGEIUIOTFQPYJI-GFCCVEGCSA-N 320.374 -0.307 30 20 DBED C[C@]1(C(=O)N[C@H]2CCN(c3ccc(C#N)nn3)C2)CNC(=O)C1 1058494173 LVLKKZOXWKLDMD-XHDPSFHLSA-N 314.349 -0.431 30 20 DBED Cc1nn(C)c(C)c1C(=O)NCCN(CCO)C(=O)[C@H](C)C#N 1058661473 XLFYDJKNVSJECR-SNVBAGLBSA-N 321.381 -0.253 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1C[C@H](NC(=O)[C@H]2COC(=O)N2)C1 1059212114 RVWZECOGKDIWMA-CKYFFXLPSA-N 301.306 -0.457 30 20 DBED C=CCOCC(=O)NCC[C@H]1CCN(C(=O)c2nnn(C)n2)C1 1060147298 QCVWFZQDVSCBGH-NSHDSACASA-N 322.369 -0.619 30 20 DBED C[C@H](C#N)C(=O)NCC[C@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1 1060252348 DTNBCGHHIKERJK-MNOVXSKESA-N 317.349 -0.102 30 20 DBED C=CCOCC(=O)N1CCOC[C@H]1CNC(=O)[C@@H](C)OC 1061365372 ALDBIZRXVDIWBJ-VXGBXAGGSA-N 300.355 -0.433 30 20 DBED C#CCCCC(=O)NC[C@H]1COCCN1C(=O)[C@H]1CCC(=O)N1 1061535586 GYHYNHYJVWBWIR-QWHCGFSZSA-N 321.377 -0.588 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1COCCN1C(=O)c1cccnn1 1061571803 HPSFIBIUCDIDFW-CYBMUJFWSA-N 314.345 -0.153 30 20 DBED C[C@H]1CN(C(=O)CC(N)=O)CC[C@@H]1Nc1nccnc1C#N 1063713867 PZSPSICPTHPWDA-UWVGGRQHSA-N 302.338 -0.127 30 20 DBED N#Cc1nccc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)c2nccnc2N)n1 1064225721 PKBAYKFWGIMLHM-PTRXPTGYSA-N 322.332 -0.272 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2cc(C)[nH]n2)CCO1 1064912935 GBXADMSUTRKFKI-GFCCVEGCSA-N 322.365 -0.122 30 20 DBED CC(C)C#CC(=O)N1CCO[C@H](CNC(=O)[C@H](C)NC(N)=O)C1 1065129960 XSRMANWPSKNJGA-NWDGAFQWSA-N 324.381 -0.954 30 20 DBED C[C@]1(CNc2ccc(C#N)nn2)CCN(C(=O)CC(N)=O)C1 1065402266 CPYUONTTXOMCMN-CQSZACIVSA-N 302.338 -0.126 30 20 DBED CSCC(=O)N1CCO[C@H](CN=c2cc[nH]c(C#N)n2)C1 1066579003 RUEZAQIOKMDJRK-SNVBAGLBSA-N 307.379 -0.228 30 20 DBED C[C@H](C#N)C(=O)N(C)CCCN(C)C(=O)C[C@H]1CC(=O)NC1=O 1067767174 KDBRILAZHQRSOD-GHMZBOCLSA-N 322.365 -0.494 30 20 DBED C=CCCC(=O)N1CCOC2(C1)CN(C(=O)CNC(N)=O)C2 1068344892 SZIQRTHZSXTFFM-UHFFFAOYSA-N 310.354 -0.939 30 20 DBED C=CCOCC(=O)N1CCOC2(C1)CN(C(=O)c1cnco1)C2 1068351383 QKTXRPIGAQXHTK-UHFFFAOYSA-N 321.333 -0.069 30 20 DBED C[C@]12CN(C(=O)C(N)=O)C[C@@]1(C)CN(c1nccnc1C#N)C2 1068426760 KPVIWZFFQGQXFL-GASCZTMLSA-N 314.349 -0.492 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H]1COC2(C1)CN(C(=O)COC)C2 1068867981 HBIBZROAEGDXIS-VXGBXAGGSA-N 310.350 -0.843 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1COC2(C1)CN(C(=O)c1cocn1)C2 1069002110 CCYYYMPXNHDNRI-ZJUUUORDSA-N 304.306 -0.066 30 20 DBED C#CCOCCC(=O)N1CCC[C@@H](NC(=O)c2ncn(C)n2)C1 1070727951 AQUZFGMMYUPYFD-GFCCVEGCSA-N 319.365 -0.424 30 20 DBED C[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1NC(=O)Cn1cnnn1 1072059506 CWICTJKSWNXETE-VXGBXAGGSA-N 318.381 -0.314 30 20 DBED C=CCN1CCCO[C@@H](CNC(=O)[C@H]2CCCS2(=O)=O)C1 1073896694 YPUCAKWLPUDNGP-QWHCGFSZSA-N 316.423 -0.043 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CCN(C(=O)CCCC(N)=O)CC1 1074631996 PKYDOLXKHCPUQC-LLVKDONJSA-N 324.381 -0.729 30 20 DBED C[C@@H](CCNC(=O)CSCC#N)NC(=O)[C@@H]1COCCO1 1075675525 BGMOTBGTOYCYQA-QWRGUYRKSA-N 315.395 -0.330 30 20 DBED C#CCOCCC(=O)NCC[C@H](C)NC(=O)c1cnnn1C 1076503879 BGIBLOGOGCFVCR-NSHDSACASA-N 307.354 -0.520 30 20 DBED CN1CCC[C@@H]1c1cc(C(=O)N[C@@H]2CN(CC#N)C[C@H]2O)n[nH]1 1077034333 SVTXMQIBAUIHMU-MGPQQGTHSA-N 318.381 -0.525 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)Cn2nc(C)cc2C(F)F)C1 1077058486 NNMAPGFKDCDHRA-ZYHUDNBSSA-N 312.320 -0.076 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3cnn(C)c3C2)C1 1077572523 ABAABUFSTTVUFO-XNRPHZJLSA-N 316.405 -0.290 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)c2cnc(O)cc2OC)C1 1077694790 HXAALBKFCUDXCH-VXGBXAGGSA-N 305.334 -0.406 30 20 DBED CN(C(=O)C#CC1CC1)[C@@H]1CCCN(C(=O)CNC(N)=O)CC1 1078951792 ZXMMQORTODAPKU-CYBMUJFWSA-N 320.393 -0.092 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@@H]2CC(=O)N(CCOC)C2)[C@H](C)C1 1079795668 APMHDDBTCBIQHH-MGPQQGTHSA-N 307.394 -0.449 30 20 DBED C=C(C)C(C)(C)C(=O)N1CCC(CO)(NC(=O)C(N)=O)CC1 1080978906 VTZSODAYWKZTBJ-UHFFFAOYSA-N 311.382 -0.456 30 20 DBED CC#CCN1C[C@@H](NC(=O)C[C@@H]2CCCC(=O)N2)[C@H](OC)C1 1081924643 JCLBBYCMIKTGAT-BFHYXJOUSA-N 307.394 -0.116 30 20 DBED C=CCOCC(=O)N1CCCC[C@H]1CNC(=O)c1nnn(C)n1 1081960109 KSMZULXDJHONOP-NSHDSACASA-N 322.369 -0.476 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@H](C2CC2)N2CCOCC2)[C@H](OC)C1 1082379831 NUVWCSOMTUWNAG-OAGGEKHMSA-N 321.421 -0.454 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@@H]2CCc3nnc(O)n3C2)C[C@H]1C 1082602875 ZATWMUWTCALXCB-IJLUTSLNSA-N 303.366 -0.384 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cn2c(n1)COCC2 1083120877 JORDYPBVRRYTIA-QWHCGFSZSA-N 317.349 -0.538 30 20 DBED N#Cc1ccc(CN2C[C@H]3[C@@H](C2)OCCN3C(=O)C(N)=O)s1 1083179445 XPTMWWFQRKVZSF-NWDGAFQWSA-N 320.374 -0.483 30 20 DBED CC(=O)Nc1cc(C(=O)N[C@@H]2CN(CC#N)C[C@@H]2O)ccn1 1083875523 UGPFXSOBWHDIIC-NEPJUHHUSA-N 303.322 -0.662 30 20 DBED C=CCN[C@H]1C[C@@H](CNC(=O)C2CC3(C2)NC(=O)NC3=O)C1 1086222953 PZXXKKVIKDPPEK-SCWCLHPDSA-N 306.366 -0.355 30 20 DBED C#CCN1C[C@H]2CC[C@H]1[C@@H]1CN(C(=O)C3CS(=O)(=O)C3)C[C@H]21 1087358907 NVMSEGRGGZDPBJ-NGFQHRJXSA-N 322.430 -0.167 30 20 DBED C=CCCN1CC[C@@H](NC(=O)Cn2ccc(O)nc2=O)[C@@H](O)C1 1090404963 VYNKMDBDGGMGPA-NEPJUHHUSA-N 322.365 -0.924 30 20 DBED C#CCN1CC[C@H](NC(=O)c2nc3nccc(C)n3n2)[C@@H](O)C1 1090774878 NAMQSZBJHQOXFF-RYUDHWBXSA-N 314.349 -0.769 30 20 DBED CC(=O)N1CCC(C(=O)N[C@H]2CCN(CC#N)C[C@@H]2O)CC1 1090796910 RWLCNAFEUVREAF-KBPBESRZSA-N 308.382 -0.680 30 20 DBED COCCn1cc(C(=O)N2C[C@H]3CN(CC#N)C[C@@]3(C)C2)nn1 1091664282 FLLOFAJWVZXKAT-DOMZBBRYSA-N 318.381 -0.158 30 20 DBED CC(=O)NCC(=O)NC1[C@H]2CN(c3ccc(C#N)nn3)C[C@H]12 1093215813 QMRNGQPPPSIKJN-QWRGUYRKSA-N 300.322 -0.965 30 20 DBED Cc1cc(C#N)nc(NCCNC(=O)[C@H]2COCCN2C)n1 1093554313 DXJZUYCJPJPING-GFCCVEGCSA-N 304.354 -0.485 30 20 DBED N#Cc1nc(=NCCNC(=O)[C@@H]2CCc3nn[nH]c3C2)cc[nH]1 1093760986 LXBJYFVLKZRDFC-SECBINFHSA-N 312.337 -0.779 30 20 DBED C[C@H]1C[C@H](C(=O)NCCNc2cnc(C#N)cn2)CC(=O)N1 1093982935 PHQREJIMYSUWKC-UWVGGRQHSA-N 302.338 -0.209 30 20 DBED CN1CCO[C@@H](C(=O)NCCCNc2ccc(C#N)nn2)C1 1094349390 UDUVEPYXDSRLHZ-GFCCVEGCSA-N 304.354 -0.403 30 20 DBED CC(=O)N[C@H](C)C(=O)N1CCCN(c2cncc(C#N)n2)CC1 1095161589 ZMUXTMUVPZNAOX-LLVKDONJSA-N 316.365 -0.088 30 20 DBED C#CCNC(=O)CC(=O)NCCCN(C)c1ccnc(C)n1 1095523820 UJUDAMOQRZHUNS-UHFFFAOYSA-N 303.366 -0.133 30 20 DBED CCN(CCCNC(=O)CNC(N)=O)c1nc(C)cc(C#N)n1 1095834065 KNFHACHVHUAZGR-UHFFFAOYSA-N 319.369 -0.342 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](Nc1ccc2nnnn2n1)C1CC1 1096598684 PTDYUXGSEDEKCF-PSASIEDQSA-N 300.326 -0.014 30 20 DBED N#Cc1ccc(N[C@@H](CNC(=O)C2(C(N)=O)CC2)C2CC2)nn1 1096794706 CPQYYLPFCFSIOX-NSHDSACASA-N 314.349 -0.080 30 20 DBED N#Cc1ccc(N[C@H](CNC(=O)[C@H]2CNC(=O)N2)C2CC2)nc1 1096801113 UWLNVIOUDXHMIB-VXGBXAGGSA-N 314.349 -0.059 30 20 DBED C[C@@H](CCNC(=O)[C@H]1COCCN1C)N=c1cc[nH]c(C#N)n1 1099022681 WZVSBCHVVSIEHX-NWDGAFQWSA-N 318.381 -0.593 30 20 DBED CNC(=O)C1(C(=O)NCC[C@H](C)N=c2cc[nH]c(C#N)n2)CC1 1099286769 HTKCBXJUTRMTMY-JTQLQIEISA-N 316.365 -0.397 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)Cc2cnn(C)c2)[C@H](O)C1 1099713409 WEPYESGHFNDAOX-HUUCEWRRSA-N 322.409 -0.283 30 20 DBED Cn1cnnc1CN1CC[C@@H](NC(=O)C#CC(C)(C)C)[C@@H](O)C1 1099826785 QABXWZACBBOZRB-OLZOCXBDSA-N 319.409 -0.084 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)CC2(C)CC2)[C@H](O)C1 1099929117 TUZCBZMMMXXPSD-CHWSQXEVSA-N 307.394 -0.523 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)C[C@H]2COC(=O)C2)C1 1100248894 LJFGGIFTQHJQDY-OTTFEQOBSA-N 321.377 -0.827 30 20 DBED C=CCNC1CC(CNC(=O)CCc2nnc(O)nc2O)C1 1100476472 PWIQQMJZUICLSR-UHFFFAOYSA-N 307.354 -0.114 30 20 DBED CCN(CCNC(=O)C[C@@H]1CCC(=O)N1)c1ccc(C#N)nn1 1100568327 BPKZNGUQGMICKF-NSHDSACASA-N 316.365 -0.041 30 20 DBED C=CCOCC(=O)NC[C@H]1CCCN1c1ccc2nnnn2n1 1100807987 OWJXMUSWKRGESC-LLVKDONJSA-N 317.353 -0.193 30 20 DBED CN(CCN=c1cc[nH]cc1C#N)C(=O)CN1CCOCC1 1101577408 MOOPWTALBBHYBB-UHFFFAOYSA-N 303.366 -0.422 30 20 DBED CCN1CCO[C@@H](C(=O)N(C)CCN=c2cc[nH]cc2C#N)C1 1101638155 MYAKZXHBZOPQML-OAHLLOKOSA-N 317.393 -0.034 30 20 DBED CN(CCNc1ccc(C#N)nn1)C(=O)c1ccc2nnnn2c1 1101856311 OYPFPGQYFWOMIV-UHFFFAOYSA-N 323.320 -0.030 30 20 DBED CC[C@H](CNC(=O)CN1CCOCC1)N=c1cc[nH]c(C#N)n1 1103033812 CMUJRGOQTGNILQ-GFCCVEGCSA-N 318.381 -0.591 30 20 DBED C[C@@H](CNC(=O)CN1CCOCC1)CNc1nccnc1C#N 1103915995 XYUHRQXRVVRJCS-LBPRGKRZSA-N 318.381 -0.155 30 20 DBED C[C@H](CNc1ccc(C#N)nn1)N(C)C(=O)[C@H]1CCC(=O)N1 1104495881 CPGHYTFBZWJHCT-MWLCHTKSSA-N 302.338 -0.114 30 20 DBED C=C(C)CNCc1cn(C2CN(C(=O)CNC(=O)OC)C2)nn1 1105174005 DJNLJXLPGHQXNA-UHFFFAOYSA-N 322.369 -0.317 30 20 DBED Cc1ccn(CC(=O)N2CC(n3cc(CNCC#N)nn3)C2)n1 1105330039 LXGYIFLGEDMTPH-UHFFFAOYSA-N 314.353 -0.520 30 20 DBED Cc1nn[nH]c1C(=O)N(C)CCN(C)c1ccnc(C#N)n1 1105515129 VZTFGTIDYBIHEI-UHFFFAOYSA-N 300.326 -0.017 30 20 DBED CN1CCC[C@H]1C(=O)NC[C@H](O)CNc1ccc(C#N)nn1 1105756600 WZSHSCRCJQPLDI-NEPJUHHUSA-N 304.354 -0.669 30 20 DBED Cn1cnc(C(=O)NC[C@H](O)CNc2ncccc2C#N)c1 1105791622 CEEXUUYONYUTEW-LLVKDONJSA-N 300.322 -0.110 30 20 DBED CCNC(=O)CC(=O)NC[C@@H](O)CNc1nc(C)ccc1C#N 1105794507 GPAKTHVCCIXGMK-GFCCVEGCSA-N 319.365 -0.323 30 20 DBED COC[C@@H](C)CC(=O)NC[C@@H](O)CNc1cncc(C#N)n1 1105941425 XQZUYJQFAXFTNZ-JQWIXIFHSA-N 307.354 -0.090 30 20 DBED CCN(CCNc1ccc(C#N)nn1)C(=O)c1nnn(C)n1 1106919026 SIAXYPYWFBBPCB-UHFFFAOYSA-N 301.314 -0.554 30 20 DBED Cc1c(C(=O)NC/C=C\CN=c2cc[nH]c(C#N)n2)nnn1C 1107097862 GSVJSAWOURRIND-ARJAWSKDSA-N 312.337 -0.395 30 20 DBED CC(C)C#CC(=O)NCc1cn(C2CN(C[C@@H](C)O)C2)nn1 1107169281 ALGAKLVILGOWMI-GFCCVEGCSA-N 305.382 -0.209 30 20 DBED C=C(C)CN1CC(n2cc(CNC(=O)[C@@H](C)CC(N)=O)nn2)C1 1107191012 MMTMYUUSRKLHPZ-NSHDSACASA-N 320.397 -0.161 30 20 DBED CNC(=O)C1(C(=O)NC[C@@]2(C)CN(CC#N)CCO2)CCC1 1108356310 ATLOUXQCHDQSQY-AWEZNQCLSA-N 308.382 -0.367 30 20 DBED C[C@H](CN(C)c1ccc(C#N)nn1)NC(=O)[C@H]1COCCO1 1108829777 URLIKEPUJKVVAQ-ZYHUDNBSSA-N 305.338 -0.295 30 20 DBED COC(=O)[C@@H]1C[C@H]1C(=O)N(C)CCCN=c1cc[nH]c(C#N)n1 1109416239 WPKHNWVMSISTQM-GHMZBOCLSA-N 317.349 -0.160 30 20 DBED N#Cc1c[nH]ccc1=NC1(CNC(=O)C(=O)NCC2CC2)CC1 1110209916 JLIAHBVHJFRTDC-UHFFFAOYSA-N 313.361 -0.038 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H](C)OCC 1110318233 JPLSFSZEBQJTJL-DGAVXFQQSA-N 307.394 -0.118 30 20 DBED C[C@H](C#N)C(=O)NC[C@@]1(O)CCN(c2cncc(C#N)n2)C1 1111041480 ISCKGMUPKVPBNR-YGRLFVJLSA-N 300.322 -0.435 30 20 DBED CC(C)(C(N)=O)C(=O)N(CCO)CCNc1ccc(C#N)nc1 1111519389 IHMXNTQEJJGSTK-UHFFFAOYSA-N 319.365 -0.302 30 20 DBED N#CCNC[C@]12CCC[C@H]1CN(C(=O)CN1CCOCC1=O)C2 1112401663 QZZPPOPCTRXTTE-BBRMVZONSA-N 320.393 -0.413 30 20 DBED N#CCNC[C@]12CCC[C@H]1CN(C(=O)C1CC(=O)NC(=O)C1)C2 1112544922 CZFXLLPJDKTZCE-LRDDRELGSA-N 318.377 -0.219 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(c2nccnc2C#N)C[C@@H]1O 1112720511 LPIWCIBZFLBGPZ-JSGCOSHPSA-N 313.361 -0.079 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(c2nccc(C)n2)C[C@H]1O 1112738799 RSORSYHKVSPAQY-ZIAGYGMSSA-N 318.377 -0.262 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)CC2(O)CCC2)CC1 1112828585 ZDFSOOZEWDLIAZ-ZDUSSCGKSA-N 307.394 -0.426 30 20 DBED CC(C)(C)C#CC(=O)N1CCN([C@@H]2CCC(=O)NC2=O)CC1 1112836540 BRYASJGGIHVBBN-GFCCVEGCSA-N 305.378 -0.015 30 20 DBED CCCc1n[nH]cc1C(=O)N1CCN(CC(=O)NCC#N)CC1 1113057321 MTZXAACJJDCTSZ-UHFFFAOYSA-N 318.381 -0.240 30 20 DBED C[C@@H](CNC(=O)[C@@]1(C)CNC(=O)C1)N(C)c1ccc(C#N)nn1 1113784607 YTJYNOAFNJFGNB-ZUZCIYMTSA-N 316.365 -0.185 30 20 DBED CNC(=O)CC(=O)N[C@H]1CN(c2cncc(C#N)n2)CC[C@@H]1C 1114010541 BJBQRLQWLJKBJZ-JQWIXIFHSA-N 316.365 -0.185 30 20 DBED C[C@H](CCCN=c1cc[nH]c(C#N)n1)NC(=O)Cn1cnnn1 1114839337 XSLBTTPMHOTXMC-SNVBAGLBSA-N 315.341 -0.846 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)CCc3cn[nH]c3)[C@H]2C1 1114949361 LHJTZLPFISDCSZ-VIKVFOODSA-N 317.393 -0.309 30 20 DBED CCn1nc(C)c(C(=O)N[C@H]2[C@@H]3CN(CC#CCOC)C[C@@H]32)n1 1115351781 AJMPCOUADKXARF-NHAGDIPZSA-N 317.393 -0.084 30 20 DBED C#CCN(CC1CC1)C(=O)CNS(=O)(=O)c1cn(C)cn1 1116368925 MBRGWDUABORASQ-UHFFFAOYSA-N 310.379 -0.430 30 20 DBED COC[C@@H](NC(=O)C(=O)Nc1cnn(CC#N)c1)[C@@H]1CCCO1 1116857942 ZOMNQAFFJDHDMW-NEPJUHHUSA-N 321.337 -0.345 30 20 DBED CNC(=O)[C@H]1CN(Cn2nc(CC#N)n(C)c2=S)CCO1 1116886945 VGLPVNPHULNZGF-SECBINFHSA-N 310.383 -0.579 30 20 DBED C=CCn1c([C@H](O)COC)nnc1N1C[C@H](OC)[C@H](OC)C1 1121731668 BPINUPRNAOBTEF-UTUOFQBUSA-N 312.370 -0.006 30 20 DBED C=CCCOCC(=O)NC[C@@H](CO)Nc1cnc(C#N)cn1 1121749624 QZKRMSABFRALSI-LBPRGKRZSA-N 305.338 -0.170 30 20 DBED Cn1cncc1C(=O)NC[C@H](CO)N=c1cc[nH]cc1C#N 1122218622 KALUUNWPXWWYTO-LLVKDONJSA-N 300.322 -0.689 30 20 DBED C=C(C)Cn1c([C@@H](C)CO)nnc1N1CCO[C@@H](C(=O)NC)C1 1122437168 YXMPLDQWWDDKOV-NWDGAFQWSA-N 323.397 -0.099 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CCCN(c2cnc(C#N)cn2)[C@H]1C 1123514325 PYUXZULQOSWDIJ-GXFFZTMASA-N 316.365 -0.042 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]cc1C#N)C(=O)[C@H]1CCCN1C 1124206959 HSBGKHNXLWVQKM-DZGCQCFKSA-N 317.393 -0.299 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)c1cncn1C 1124592832 QXHQNNGVXPNPJI-SNVBAGLBSA-N 315.337 -0.951 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)c1n[nH]cc1F 1124721100 GLVXAKPUOACZIY-MRVPVSSYSA-N 319.300 -0.823 30 20 DBED C#CCNC(=O)CC(=O)NCCNCC(=O)Nc1ccccc1 1125977631 BUVPDDWWVABXGZ-UHFFFAOYSA-N 316.361 -0.530 30 20 DBED C#CCNC(=O)CC(=O)NCCNCc1ccc(OC)nc1 1125978158 MTUAMJMOIQWEOJ-UHFFFAOYSA-N 304.350 -0.565 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1cc2n(n1)CCCO2 1131181818 KPDMQFTUBKNJHE-UHFFFAOYSA-N 307.354 -0.713 30 20 DBED CCNC(=O)CN1C[C@H]2C[C@H]3CN(C(=O)[C@H](C)C#N)C[C@@]3(C1)O2 1131199953 ABTBELXOQYSQEP-OQMKEHIESA-N 320.393 -0.416 30 20 DBED C#CCCCC(=O)N1C[C@H]2C[C@@H]3CN(CC(N)=O)C[C@]2(C1)O3 1131219855 DTBKJOHBTPWZFN-XJKCOSOUSA-N 305.378 -0.423 30 20 DBED CC(C)C#CC(=O)N1CCC(=O)NCCN([C@@H](C)C(N)=O)CC1 1131357377 SRAHJTUICOBLKC-ZDUSSCGKSA-N 322.409 -0.830 30 20 DBED CC(C)C#CC(=O)N1C[C@H](C)O[C@]2(CCN(CC(N)=O)C2)C1 1131662001 RYDMINQKONXRKE-BBRMVZONSA-N 307.394 -0.177 30 20 DBED C#CCNC(=O)CNC[C@H]1CN(C(=O)CCN(C)C)CC[C@@H]1C 1133090196 DHVOFQJEJAGQMB-GJZGRUSLSA-N 322.453 -0.238 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)Cc1cc[nH]n1 1133975447 ZQOXQNJCVNNSGK-NEPJUHHUSA-N 305.382 -0.426 30 20 DBED C=CCn1cc(C(=O)NCCNCC(=O)N[C@@H](C)C(C)C)nn1 1134970286 RGHQPMUEDCNGPA-LBPRGKRZSA-N 322.413 -0.056 30 20 DBED Cc1ncc(C(=O)N[C@@H](C)C[C@@H](C)NCC(=O)NCC#N)n1C 1135301851 BACFRGQNTJKQDV-MNOVXSKESA-N 320.397 -0.145 30 20 DBED C=CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)Cn1cncn1 1136128056 ZSDDWHQLUNFLJH-NEPJUHHUSA-N 308.386 -0.547 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)CCCn2cncn2)C1=O 1146797163 ZYLPSZTZVCJQRO-ZDUSSCGKSA-N 320.397 -0.449 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)C(=O)N2CC[C@@H](C)C2)C1=O 1147175054 IJUHKTPDTJJXHI-OLZOCXBDSA-N 322.409 -0.653 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC2(CCN(CC(=O)NC(N)=O)C2)C1 1147422644 UTKCPWBEKKCVJA-CQSZACIVSA-N 324.381 -0.957 30 20 DBED N#CCN1CCC2(C1)CN(C(=O)CNC(=O)c1cccnc1)C2 1148321125 NRVVLCBIQXFVRV-UHFFFAOYSA-N 313.361 -0.131 30 20 DBED C=CCNC(=O)CNCCNC(=O)C[C@H]1CCCCC(=O)N1 1149103586 ITHQJFQISROTGB-GFCCVEGCSA-N 310.398 -0.557 30 20 DBED C=CCN1CCCO[C@H](CNC(=O)CCNC(=O)COC)C1 1149803794 CWAUDXMYNNNUNB-CYBMUJFWSA-N 313.398 -0.468 30 20 DBED CO[C@H](C(=O)NC[C@@H]1CN(CC#N)CCCO1)c1cnn(C)c1 1150036189 NINXSZLKBFKVAX-KGLIPLIRSA-N 321.381 -0.162 30 20 DBED C=CCN1CCCO[C@@H](CNC(=O)CN2C(=O)CN(C)C2=O)C1 1150686268 YZPQUMYZUQDQHS-LBPRGKRZSA-N 324.381 -0.727 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)CSCC#N 1151965687 OESYJDULMOECJM-LLVKDONJSA-N 311.411 -0.290 30 20 DBED C=CCNC(=O)CNCCCNC(=O)Cn1cccc(C)c1=O 1157973114 SNNQGCBGYDHGKF-UHFFFAOYSA-N 320.393 -0.445 30 20 DBED N#CCN1CC=C(CCNC(=O)c2cn(CC(N)=O)nn2)CC1 1161938729 VNPWTLKYDNHMJO-UHFFFAOYSA-N 317.353 -0.961 30 20 DBED CC#CCN1CCC(CNC(=O)CNC(N)=O)(COC)CC1 1162091537 NJFYPECJJYXQCM-UHFFFAOYSA-N 310.398 -0.477 30 20 DBED C=CCNC(=O)CNCC1(CCNC(=O)c2ncn(C)n2)CC1 1164442960 GUSOFXMOPAHPGT-UHFFFAOYSA-N 320.397 -0.393 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)CCc1cn[nH]c1 1167950480 PUYOTCBUZGBEKT-GFCCVEGCSA-N 305.382 -0.424 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)CCC(=O)NCCC 1171486989 CMWMVGLQKTUSQA-CYBMUJFWSA-N 324.425 -0.473 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H]2CC[C@H]1[C@H](CNCC#N)C2 1177705679 AUOYVVVXCSELST-IHRRRGAJSA-N 302.378 -0.134 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2cc(C)[nH]n2)[C@H]1C 1178220639 CUHIVFLTNZEQKJ-RYUDHWBXSA-N 303.366 -0.340 30 20 DBED C[C@H]1[C@@H](NCC#N)CCN1C(=O)CNC(=O)c1cscn1 1179864898 KYJMBGJGOJZYOI-UWVGGRQHSA-N 307.379 -0.025 30 20 DBED C[C@@H]1CN(C(=O)CCN(C)C)CC[C@H]1CNCC(=O)NCC#N 1185071784 BQBSVHOFZYKNGI-KGLIPLIRSA-N 323.441 -0.348 30 20 DBED CN(Cc1nc(=O)n(C)[nH]1)[C@H]1CCN(C(=O)CSCC#N)C1 1188958098 DCNKDDDNOBXZDA-JTQLQIEISA-N 324.410 -0.602 30 20 DBED CN(CC(=O)NCC#N)[C@@H]1CCN(C(=O)CSCC#N)C1 1188959041 NOLUWRCFDKKJPI-LLVKDONJSA-N 309.395 -0.584 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2ncccc2O)C1 1189770283 QPUXPQJROBSQBB-LBPRGKRZSA-N 316.361 -0.317 30 20 DBED Cc1cncn1CC(=O)N1CC[C@H](N(C)CC(=O)NCC#N)C1 1191360937 UXHANOREKKLHTH-ZDUSSCGKSA-N 318.381 -0.636 30 20 DBED CC[C@@H](NC(C)=O)C(=O)N1CC[C@@H](N(C)CC(=O)NCC#N)C1 1192464248 HVEFZWRMJIVFFO-CHWSQXEVSA-N 323.397 -0.926 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(CCn2cccn2)C[C@H]1O 1192530583 OFNNIMUDTHMDLQ-UMVBOHGHSA-N 308.382 -0.629 30 20 DBED CN(CC#N)[C@@H]1CCN(C(=O)CCS(=O)(=O)N(C)C)C1 1194208605 IKYUPKDKKZMQLM-LLVKDONJSA-N 302.400 -0.676 30 20 DBED C=CCOCCN1CCCN(C(=O)CCn2cnnn2)CC1 1197536607 IDLVEXPIVJHUFS-UHFFFAOYSA-N 308.386 -0.200 30 20 DBED CC#CCN1CCCN(C(=O)CCS(=O)(=O)N(C)C)CC1 1198229495 KVDTZXPYEACDES-UHFFFAOYSA-N 315.439 -0.175 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CCN(C(=O)[C@@H]2CCCN2C)CC1 1199787724 CUUTUENHFKGQLP-HIFRSBDPSA-N 320.437 -0.201 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)c2cnn(C)c2N)CCCO1 1200329883 PFGQOUPXRCNOOW-GFCCVEGCSA-N 305.382 -0.154 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)c2cc[nH]c2)CCCO1 1200563415 QNFGEJJDVCGDQE-CQSZACIVSA-N 318.377 -0.415 30 20 DBED N#CCNC[C@@H]1CN(C(=O)CN2CCCNC2=O)CCCO1 1200879598 AQUWEPAXMZOENB-GFCCVEGCSA-N 309.370 -0.868 30 20 DBED CCn1cc(CC(=O)N2CCCO[C@@H](CNCC#N)C2)nn1 1201041330 BFSVKCXSMPDOEQ-ZDUSSCGKSA-N 306.370 -0.429 30 20 DBED C[C@H]1CO[C@H](C(=O)N2CCC(NCC(=O)NCC#N)CC2)C1 1201694980 WGXMIVBDORMWLR-YPMHNXCESA-N 308.382 -0.368 30 20 DBED COCC#CCNC1CCN(C(=O)c2cnc(O)n2C)CC1 1201960325 ZVMMIWNJKWNPDW-UHFFFAOYSA-N 306.366 -0.030 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)[C@H]2CCOC[C@H]2C)CC1 1202379392 GXYJFNYEYKILMO-HIFRSBDPSA-N 321.421 -0.011 30 20 DBED C=CCNCC1CCN(C(=O)Cn2cnc(C(N)=O)n2)CC1 1205334280 JIRHCANXNGFJQE-UHFFFAOYSA-N 306.370 -0.609 30 20 DBED C[C@@H]1CN(Cc2nnnn2C)C[C@H]1NC(=O)CSCC#N 1206089782 GATDDTSTETXVTN-NXEZZACHSA-N 309.399 -0.597 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)c2cnsn2)[C@H](C)C1 1206252230 DLHYAQBSUMDYSX-CKYFFXLPSA-N 321.406 -0.274 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)C[C@@H]2COC(=O)C2)[C@H](C)C1 1206870946 RZADBZPSBOAMQQ-FRRDWIJNSA-N 323.393 -0.322 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(C[C@@H](CC)OC)C[C@H]1C 1206892033 UCASAFBMOSLOKE-MGPQQGTHSA-N 309.410 -0.013 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2cnnn2C)C[C@H]1C 1206964187 YJFCEAKNKNXGJN-MBNYWOFBSA-N 305.382 -0.210 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCCN(C(=O)c2cnnn2C)C1 1207957213 FLRCZRQOUGXOET-NEPJUHHUSA-N 318.381 -0.853 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)Cn2cncn2)C1 1210976037 SMYSJLPFBGPAJJ-LBPRGKRZSA-N 306.370 -0.839 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)[C@H]2CCN(C)C2)[C@H](C)C1 1211026116 SCMIXIAGBPRYOO-HZSPNIEDSA-N 306.410 -0.876 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)CNC(=O)N1CCCC1 1212262550 ROICBCGOVYNANK-VXGBXAGGSA-N 309.370 -0.869 30 20 DBED C=C(C)CN1C[C@@H](NC(=O)COCc2nncn2C)[C@H](OC)C1 1213652179 QMNXWXRPDKOXQL-CHWSQXEVSA-N 323.397 -0.277 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](NC[C@H](CC)OC)[C@H](C)C1 1214473292 CSOQVFZVQARVDK-HZSPNIEDSA-N 309.410 -0.013 30 20 DBED CCn1nnc(C)c1CN1C[C@H](O)[C@H](NC(=O)[C@H](C)C#N)C1 1219379365 RYKYWOAKRGQMJJ-XWIASGKRSA-N 306.370 -0.573 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2ocnc2C)C[C@@H]1O 1219604896 CMYHZYYCVSTLRI-UPJWGTAASA-N 307.350 -0.317 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@@H](C)NC(=O)C2CCC2)C1 1221185612 PDDSCQJUMUBVBC-BNOWGMLFSA-N 307.394 -0.524 30 20 DBED C=CCNC(=O)CN1CC[C@@H]2CN(C(=O)CC(=O)NCC)[C@@H]2C1 1221495975 BSCKFUHWDMONBV-CHWSQXEVSA-N 322.409 -0.653 30 20 DBED C[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1CCCC[C@H]1NCC#N 1228791807 OPZQDNCLMPFMAO-HBNTYKKESA-N 302.400 -0.535 30 20 DBED N#CCN[C@@H]1CCCC[C@H]1NC(=O)CC[C@@H]1NC(=O)NC1=O 1230097389 AEUOVISYWVAOQH-MXWKQRLJSA-N 307.354 -0.485 30 20 DBED C=CCN1CCS(=O)(=O)[C@H](CCNC(=O)c2cc[nH]n2)C1 1230422548 NEUZXPQPSKMIAZ-LLVKDONJSA-N 312.395 -0.185 30 20 DBED C=CCNC(=O)[C@H](C)N1CC[C@H]1CN(C)C(=O)C(C)(C)C(N)=O 1235589274 PPIPZWZULWIOSS-RYUDHWBXSA-N 324.425 -0.279 30 20 DBED C#CCCCNC(=O)C(=O)Nc1cnn(CC(=O)NC2CC2)c1 1255648723 JBXVYDYKRYDBJU-UHFFFAOYSA-N 317.349 -0.370 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N[C@H](CO)CC(F)F 1320758045 ZJUGZYIZDODBRP-QMMMGPOBSA-N 300.327 -0.098 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2cnc(C)nc2)C1=O 1321340820 YRRAKIQPDRPFFK-GFCCVEGCSA-N 317.349 -0.031 30 20 DBED CC(C)OC(=O)CCNC(=O)C(=O)NC1CCN(CC#N)CC1 1322539537 FVXFPIWTEFBTMU-UHFFFAOYSA-N 324.381 -0.452 30 20 DBED N#Cc1ccc(NC(=O)C(=O)NC[C@H]2CC[C@H](C(N)=O)O2)cc1 1323859514 XGDLFSFMKHIHAT-VXGBXAGGSA-N 316.317 -0.354 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)C[C@@H]1CCCS(=O)(=O)C1 1324277918 DQJBRZRACZYTAG-QWRGUYRKSA-N 301.364 -0.118 30 20 DBED C[C@@H](NC(=O)C(=O)N1CC[C@@](O)(CC#N)C1)c1csnn1 1326167115 IBDQFWRHDLWGRT-PELKAZGASA-N 309.351 -0.408 30 20 DBED C=CCN1CCC(NC(=O)C(=O)NCc2cccnn2)CC1 1326489424 AOXPAFRKKRXXQJ-UHFFFAOYSA-N 303.366 -0.141 30 20 DBED CO[C@H]1CCCN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1 1331989216 QWWAOYLTSSGNIH-KGLIPLIRSA-N 320.393 -0.177 30 20 DBED CN(Cc1ccncc1)C(=O)C(=O)N1CC[C@](O)(CC#N)C1 1332355482 GTDLWPWOPJKDDE-OAHLLOKOSA-N 302.334 -0.083 30 20 DBED CC(=O)NCCNC(=O)CCC(=O)Nc1n[nH]c(C)c1C#N 1335584074 JULAGPDRENMATP-UHFFFAOYSA-N 306.326 -0.439 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)N2CCCNCC2)CCN1C1CC1 1335716863 SGHFKWGYBBTPOO-ZDUSSCGKSA-N 305.382 -0.993 30 20 DBED COCC/N=C(/NC[C@H](O)CN1CCCC1=O)NC(C)(C)C 1335856922 NMYFYDXCWVXTSR-LBPRGKRZSA-N 314.430 -0.050 30 20 DBED CN(C)c1nc(CNC(=O)C(=O)N2CCO[C@H](C#N)C2)cs1 1342289710 SCTBFPDKXDVPIZ-SNVBAGLBSA-N 323.378 -0.424 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N1CC[C@](F)(CO)C1 1352717906 UPTBRPVHVZJXAN-BXUZGUMPSA-N 300.330 -0.536 30 20 DBED COC(=O)c1cccn(CC(=O)Nc2c[nH]nc2C#N)c1=O 1361683008 LAEDLCJTQKRJEI-UHFFFAOYSA-N 301.262 -0.132 30 20 DBED CC[C@H]1CN(C(=O)Cn2cc(C#N)c(O)nc2=O)C[C@@H](C)O1 1361864659 ZQAIVHXIDICKHN-KOLCDFICSA-N 306.322 -0.154 30 20 DBED N#Cc1ccc(NCC(=O)NC[C@@H]2CCN(C(N)=O)C2)nc1 1363167928 KGOHQRJEGOFVDY-NSHDSACASA-N 302.338 -0.118 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(O)(CNCC(=O)N2CCC2)CC1 1368678027 HFVRVEQPUOTDNY-LBPRGKRZSA-N 308.382 -0.679 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1C[C@@H](NC(=O)CO[C@H]2CCOC2)C1 1384551264 YTWVGTYRBXMVGM-RVMXOQNASA-N 309.366 -0.037 30 20 DBED C[C@H](C#N)C(=O)NCCN(C)C(=O)c1ccoc1CC(N)=O 1387082092 QDGGCMCOBAGDQS-SECBINFHSA-N 306.322 -0.345 30 20 DBED C[C@H](C#N)C(=O)N1CC(CNC(=O)CNC(=O)N2CCCC2)C1 1389688985 YJAARELDGALLJH-LLVKDONJSA-N 321.381 -0.474 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H](C)S(C)(=O)=O)C1 1396536941 DYUATTDFFJHRTL-DBIOUOCHSA-N 315.395 -0.410 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1C[C@@H](NC(=O)[C@H]2CCC(=O)N2C)C1 1396540997 QTBKPEQLVPFUNY-NNYUYHANSA-N 306.366 -0.222 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN([C@H](C)c2nnnn2C2CC2)C1 1402318970 KNWDZXTWRPLLMN-NXEZZACHSA-N 319.369 -0.608 30 20 DBED C[C@H](O)CN(Cc1cc(O)n2ncc(C#N)c2n1)[C@@H](C)CO 1412978296 JCDGPZGMMOXXTN-UWVGGRQHSA-N 305.338 -0.130 30 20 DBED C[C@H]1[C@@H](N(C)C)CCN1C(=O)CCn1cc(C#N)c(O)nc1=O 1417881233 HXSHIBRYZDCJTG-JQWIXIFHSA-N 319.365 -0.238 30 20 DBED CCN1CCOC[C@@H]1C(=O)N1CCC(NC(=O)[C@H](C)C#N)CC1 1429665994 BUWYMUWGBGYXHB-TZMCWYRMSA-N 322.409 -0.026 30 20 DBED C[C@H](C#N)C(=O)NCC[C@H]1CCCCN1C(=O)Cn1cnnn1 1431153723 RSWNHDZJSXPQOD-VXGBXAGGSA-N 319.369 -0.280 30 20 DBED Cc1c(C(=O)N2CC[C@H](CNC(=O)[C@@H](C)C#N)C2)nnn1C 1448265558 QQJRGNCDLDXQID-GXSJLCMTSA-N 304.354 -0.139 30 20 DBED CC(=O)N(C)CC(=O)N(C)C[C@@H](C)NC(=O)c1ccc(C#N)[nH]1 1450958134 WOKJSXDDFXWLKB-SNVBAGLBSA-N 319.365 -0.059 30 20 DBED C[C@@H](C#N)C(=O)N(C)CC(C)(C)CNC(=O)[C@@H]1COC(=O)N1 1508689775 JXLOITDKWNRYEY-UWVGGRQHSA-N 310.354 -0.145 30 20 DBED CCn1nc(C)c(C(=O)NC[C@@H](O)CNC(=O)[C@@H](C)C#N)c1C 1533296382 AUMBSKPWKKTQCJ-CABZTGNLSA-N 321.381 -0.114 30 20 DBED C[C@@H](C#N)C(=O)NC1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1573575989 CIONZNDTNWTRID-ZETCQYMHSA-N 314.309 -0.705 30 20 DBED C#CCCCC(=O)N[C@H]1CCN(CCc2cnn[nH]2)C[C@@H]1O 1574866830 LKQBAWHKLVTCEG-KBPBESRZSA-N 305.382 -0.298 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N2CCC[C@H]3CC[C@]32CN)CCO1 1580041945 KIQCILOMVNWDFC-XQQFMLRXSA-N 314.411 -0.341 30 20 DBED C#C[C@H](NC(=O)C(=O)NCC(C)(C)CC(=O)O)[C@H]1CCCO1 1588370493 FIPBNBLBTYCRCY-WDEREUQCSA-N 310.350 -0.100 30 20 DBED C#CC[C@@H](NS(=O)(=O)c1cccc(-n2cnnn2)c1)C(=O)O 1588428080 ABURYAZKRBOJPQ-LLVKDONJSA-N 321.318 -0.583 30 20 DBED COC(=O)c1cncc(S(=O)(=O)N(CC#N)CC(=O)O)c1 1599010953 KIBRXBKMRSKZNL-UHFFFAOYSA-N 313.291 -0.533 30 20 DBED CCOC(=O)c1cnn(CC(=O)NCCC#N)c1-c1nn[nH]n1 1604390511 SOOQJNXLIXFULL-UHFFFAOYSA-N 318.297 -0.730 30 20 DBED CCN(CCC#N)S(=O)(=O)N[C@H](CC(=O)OC)C(=O)O 1605438783 OHUQMEHYHVWIMO-MRVPVSSYSA-N 307.328 -0.927 30 20 DBED N#Cc1cn(CC(=O)N2CCC[C@@H](CC(=O)O)C2)c(=O)nc1O 1605622868 GHTAUSVTFIAABZ-VIFPVBQESA-N 320.305 -0.466 30 20 DBED CC[C@@](COC)(NS(=O)(=O)N(C)[C@H](C)CC#N)C(=O)O 1609926959 ZTDUGVKACKKFSD-KOLCDFICSA-N 307.372 -0.065 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)c2ccnc(C)n2)C1 1662577873 DGYWMYATMCNCLM-AAEUAGOBSA-N 315.377 -0.273 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)Cn2nccc2C)C1 1690678647 KXZVSQPUNAJKNU-KBPBESRZSA-N 317.393 -0.480 30 20 DBED C=CCOCCN1CCN(CCNC(=O)c2cn(C)nn2)CC1 1752364761 CZUNRRJBDCAVOW-UHFFFAOYSA-N 322.413 -0.635 30 20 DBED CS(=O)(=O)NCCN[C@@H](CNC(=O)C#CC1CC1)C1CC1 1752463393 KYWCKRXOYVQCIO-ZDUSSCGKSA-N 313.423 -0.567 30 20 DBED CCN1C[C@H](C(=O)NCC[C@@H](C)NCC#CCOC)CC1=O 1753007559 STIFHDWVPNLXOP-ZIAGYGMSSA-N 309.410 -0.011 30 20 DBED C#CCNC(=O)[C@@H](C)N(CCC)CCNC(=O)c1nc[nH]n1 1753148339 HTSHNDPMAOILRM-LLVKDONJSA-N 306.370 -0.616 30 20 DBED CN(CC#N)C[C@H]1CCN(C(=O)COCc2nncn2C)C1 1753360207 NNQKKMWZYOUEEW-GFCCVEGCSA-N 306.370 -0.364 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1cncnc1 1753419472 AMIQEGXGIMKMPK-XBFCOCLRSA-N 313.361 -0.487 30 20 DBED C[C@@H](C#N)C(=O)N[C@@](C)(CNCCN1C(=O)CNC1=O)C1CC1 1753515321 YDUBRLQDRWRDTD-BONVTDFDSA-N 321.381 -0.428 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H](CNC(=O)c1cnn(C)n1)C(C)C 1753838600 DBNKZUFDEMYTPF-NWDGAFQWSA-N 320.397 -0.703 30 20 DBED C[C@H](CCNCc1nc(=O)n(C)[nH]1)NC(=O)c1c[nH]c(C#N)c1 1753960319 YJFCYFDXKACNBU-SECBINFHSA-N 317.353 -0.394 30 20 DBED CCn1nc(C)cc1C(=O)NC/C=C/CNCC(=O)NCC#N 1754172325 WJDZXIHKLDZLGB-SNAWJCMRSA-N 318.381 -0.273 30 20 DBED C=CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)CN(C)S(=O)(=O)CC 1754429798 XDHFPYSYBZWDFP-NTZNESFSSA-N 301.412 -0.357 30 20 DBED CC#CCN[C@H]1CCN(C(=O)c2nnc(O)nc2O)[C@@H](C)C1 1754596346 FJPNAUWNWVDMMR-UWVGGRQHSA-N 305.338 -0.111 30 20 DBED COCC1(C(=O)N2C[C@H](C)[C@H](NCC(=O)NCC#N)C2)CC1 1755111219 BQELXEFSGUASCF-NWDGAFQWSA-N 308.382 -0.511 30 20 DBED C[C@@H](NCC#N)[C@H]1CN(C(=O)CCS(C)(=O)=O)CCO1 1755446258 XMHZIVYYNGEZQK-GHMZBOCLSA-N 303.384 -0.850 30 20 DBED C=C(C)CN[C@@H](CO)CNC(=O)[C@H]1CCCCS1(=O)=O 1755631166 WQOIKEMOCFOUBQ-VXGBXAGGSA-N 304.412 -0.404 30 20 DBED C#CCNC[C@H](O)CN(C)C(=O)c1n[nH]cc1Br 1755792736 VMMFURYWZHWXCK-QMMMGPOBSA-N 315.171 -0.172 30 20 DBED C#CCN(C)C[C@H](O)CN(C)C(=O)[C@@H](C)CS(C)(=O)=O 1755807465 HKUWLRPVOCCPOK-RYUDHWBXSA-N 304.412 -0.949 30 20 DBED C#CCNC(=O)CN1CC=C(CNC(=O)C2CC(OC)C2)CC1 1755888830 MXGUJADOWRPTOE-UHFFFAOYSA-N 319.405 -0.091 30 20 DBED C[C@@H](NC(=O)C#CC1CC1)C1CN(C(=O)CS(C)(=O)=O)C1 1756151218 YLRHZEMCRSZJDF-SNVBAGLBSA-N 312.391 -0.593 30 20 DBED C=C[C@H](CC)CC(=O)N[C@@H](CO)CNC(=O)c1cn(C)nn1 1756518428 YRISECJBKGPPRH-GHMZBOCLSA-N 309.370 -0.376 30 20 DBED CC(C)(C)C#CC(=O)NC[C@H](CO)NC(=O)[C@H]1CCCC(=O)N1 1756520144 VRJZGQRJCDFSIS-VXGBXAGGSA-N 323.393 -0.702 30 20 DBED C=CCCC(=O)N[C@H](CO)CNC(=O)Cn1ccc(C)cc1=O 1756522240 FSWCHXWCHYTJKH-ZDUSSCGKSA-N 321.377 -0.284 30 20 DBED Cc1cc(C(=O)NC[C@@H](CO)NC(=O)C#CC(C)C)c(C)nn1 1756524468 WQZMTTBVKOHGDS-ZDUSSCGKSA-N 318.377 -0.040 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc[nH]c2C)C1 1756988684 WIBQQZSPMQBIFZ-MRVWCRGKSA-N 319.361 -0.337 30 20 DBED NC(=O)CNC(=S)NN=Cc1cc(Cl)ncc1C(=O)O 1776042550 ZWEPSXMQKDMYJA-UHFFFAOYSA-N 315.742 -0.284 30 20 DBED NS(=O)(=O)CCNN=Cc1cccc(OCCC(=O)O)c1 1776047000 RAELWTARBQNSSE-UHFFFAOYSA-N 315.351 -0.248 30 20 DBED N#CCC(=O)N1CCO[C@]2(CCN(C(=O)C3CC(=O)C3)C2)C1 1785404290 CLSQYHSJYVGJQA-OAHLLOKOSA-N 305.334 -0.291 30 20 DBED C/C=C/C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1790800855 JVKVATPJNHUUMT-SJGBDUFXSA-N 320.345 -0.370 30 20 DBED C#CC(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H](C)NC=O)sc2C1 1822902581 IIYJELYUZQLMDR-RKDXNWHRSA-N 320.374 -0.177 30 20 DBED CC(C)[C@@H](O)C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846194634 ZMLQOXNMVVUSIA-CYBMUJFWSA-N 308.334 -0.705 30 20 DBED C#CCNS(=O)(=O)c1cccc(C(=O)O[C@@H](C)C(N)=O)c1 16558368 VGICWXCCSNYWGD-VIFPVBQESA-N 310.331 -0.371 30 20 DBED CCn1cc(C#N)c(=O)n(CCCNS(=O)(=O)CC)c1=O 155368300 SNGWBJFGTBIFOQ-UHFFFAOYSA-N 314.367 -0.769 30 20 DBED CN1CCN(C(=O)CCNS(=O)(=O)CCCC#N)CC1 171980642 NFSWSGKFNKNURQ-UHFFFAOYSA-N 302.400 -0.626 30 20 DBED CC(=O)NCCNC(=O)CCC(=O)Nc1ccn(CCC#N)n1 265356518 FFULCCMFPABGBM-UHFFFAOYSA-N 320.353 -0.232 30 20 DBED C[C@H](C(=O)N(C)CCC#N)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 266193659 XNFAZYWRWAYMSF-OOCWMUITSA-N 305.334 -0.091 30 20 DBED CC(C)[C@H](C(=O)NCCn1cnc(C#N)n1)N1CCCC1=O 286689806 CQFPSUKHRSIAPJ-CYBMUJFWSA-N 304.354 -0.087 30 20 DBED CC(C)N1C(=O)C[C@@H](NS(=O)(=O)c2cncc(C#N)c2)C1=O 289445231 KOQKUFKVQDVAFF-LLVKDONJSA-N 322.346 -0.233 30 20 DBED C=CCCOCCNC(=O)C(=O)N(CCOC)CCN(C)C 289482030 XKECAIUYHDWJCC-UHFFFAOYSA-N 315.414 -0.268 30 20 DBED CN1CC[C@H](/N=C(/O)CSCC(=O)N2CCOCC2)C1=O 329684727 UINFLAMPLTWHNY-JTQLQIEISA-N 315.395 -0.234 30 20 DBED CC(C)C/N=C(/O)NC(=O)CN1CCN(C(=O)[C@H](C)O)CC1 330596115 XXYSDAXDOUUKJY-NSHDSACASA-N 314.386 -0.802 30 20 DBED O=C1CCC(=O)N1CC/N=C(/O)N1CCC[C@@H](OCCO)C1 331235053 SQHXAEYQRDEIIE-LLVKDONJSA-N 313.354 -0.477 30 20 DBED CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1CCO[C@@H](C#N)C1 336954311 XNBXJJILLRFNFP-QWRGUYRKSA-N 317.367 -0.517 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H]2CCC[C@H]2OC)C1=O 341618337 XPAXCJTXUXSAJA-GHMZBOCLSA-N 323.349 -0.106 30 20 DBED CN(CC(=O)NCC(=O)NCC#N)S(=O)(=O)c1ccccc1 343556969 SJYTYFIIKPEPJF-UHFFFAOYSA-N 324.362 -0.937 30 20 DBED CC(C)n1cc(C#N)c(NC(=O)C(=O)N[C@H]2CCCOC2)n1 344786766 NYOJTMCZERGMDT-NSHDSACASA-N 305.338 0.569 30 20 DBED C=CCNC(=O)CNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 348089840 WCEKQXJATUNHCA-UHFFFAOYSA-N 320.305 -0.257 30 20 DBED C=C[C@H](CO)NC(=O)N[C@@H]1CC(=O)N(C)[C@@H]1c1ccnn1C 359470567 JVDTVUQRWYVHAJ-BREBYQMCSA-N 307.354 -0.462 30 20 DBED C[C@@H](C#N)CN(C)C(=O)C(=O)N1CC(=O)N(CC(F)(F)F)C1 410994896 FMYHIDMWIBVNEP-QMMMGPOBSA-N 320.271 -0.205 30 20 DBED C[C@@H](CN)CNC(=O)C(=O)N1CC(Oc2ccc(C#N)cc2)C1 419956911 OUCMWCNIDJGBRO-NSHDSACASA-N 316.361 -0.141 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(CN)CC2)C1=O 428128615 BZCQUOVPUMONIL-UHFFFAOYSA-N 308.338 -0.840 30 20 DBED CCN(CCC#N)C(=O)C(=O)Nc1cnc(OC)c(C(N)=O)c1 446872481 LVKFVYKHSVWRKO-UHFFFAOYSA-N 319.321 -0.110 30 20 DBED COC[C@@H](C)OC[C@H](O)Cn1cc(C(=O)OC)cc(C#N)c1=O 446992412 CPQJEHPUJVGZNJ-ZWNOBZJWSA-N 324.333 -0.081 30 20 DBED C#CCN1CCC(C(=O)NCCCN2C(=O)CCC2=O)CC1 490631520 VXTXQJOWHSPGJD-UHFFFAOYSA-N 305.378 -0.013 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 491219982 IXPABDCLJNTBPK-HNNXBMFYSA-N 308.426 -0.534 30 20 DBED C#CCN(C)CCCNC(=O)C(=O)Nc1cccc(C(N)=O)c1 491525831 VRGZWMBIPIHKFB-UHFFFAOYSA-N 316.361 -0.205 30 20 DBED C#CCN(C)CCCNC(=O)CN(C)C(=O)[C@H](C)n1cccn1 491731026 FUMSQCQYQUMXET-AWEZNQCLSA-N 319.409 -0.026 30 20 DBED COCCNC(=O)CN1CCN(c2ncncc2C#N)CC1 517780340 SDGAVQZZVNSLPX-UHFFFAOYSA-N 304.354 -0.767 30 20 DBED N#Cc1ccccc1OC[C@H](O)CN1CCOC[C@H]1CC(N)=O 528516997 LNEORFRNUKGHEV-ZIAGYGMSSA-N 319.361 -0.126 30 20 DBED N#CCC(=O)N1CCN(S(=O)(=O)NCC(F)(F)F)CC1 568240563 RMFMIIULNHDQLJ-UHFFFAOYSA-N 314.289 -0.559 30 20 DBED CC[C@H](C#N)C(=O)N[C@H]1CC(=O)N(CCN(C)CCOC)C1 593898781 MAQVUODQSFNAQL-OLZOCXBDSA-N 310.398 -0.169 30 20 DBED CCC[C@@H](C(=O)NCC1CCN(CC#N)CC1)S(N)(=O)=O 597292606 FTBRVBOVXQRQAR-LBPRGKRZSA-N 316.427 -0.205 30 20 DBED N#CCCN1CCN(C(=O)C(=O)N2CCCC[C@H]2CN)CC1 601584961 UMNRROSKRIDYLF-ZDUSSCGKSA-N 307.398 -0.616 30 20 DBED N#CCCN1CCN(C(=O)C(=O)NCC2CCOCC2)CC1 602227894 JGSFRWPNECAESD-UHFFFAOYSA-N 308.382 -0.413 30 20 DBED CCS(=O)(=O)NCCCNC(=O)N1CC[C@](F)(C#N)C1 615536693 IQYSYTQVFZLKBR-NSHDSACASA-N 306.363 -0.037 30 20 DBED CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)N1CCOC[C@@H]1C#N 619582647 SAXWEIJPQXRISD-WDEREUQCSA-N 310.354 -0.856 30 20 DBED N#C[C@H]1CN(S(=O)(=O)NCC(=O)C2CCCC2)CCO1 625546978 WMDDMQIRVBBPGM-NSHDSACASA-N 301.368 -0.196 30 20 DBED Cn1nccc1NC(=O)C(=O)NCCNc1ccc(C#N)cn1 746355302 DJIUYOHJBXVAER-UHFFFAOYSA-N 313.321 -0.146 30 20 DBED C=CCS(=O)(=O)NC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 772712559 DCIVVDDOXJLTEX-FSZOTQKASA-N 324.358 -0.575 30 20 DBED CCOC(=O)[C@@H]1NC(=O)N(CCNc2ccc(C#N)cn2)C1=O 794781575 WPGOOGVZOKZFAW-LLVKDONJSA-N 317.305 -0.151 30 20 DBED C#CCNS(=O)(=O)N1CCN(CC2CC(OCC)C2)CC1 795978123 WFMPIYCNZOSSQI-UHFFFAOYSA-N 315.439 -0.113 30 20 DBED CCN(C[C@H](C)C#N)C(=O)COC(=O)CCn1ncn(C)c1=O 815269031 YCCVORLYMGRMFD-LLVKDONJSA-N 323.353 -0.477 30 20 DBED CCOC(=O)C1=C(CN2CC[C@](O)(CC#N)C2)NC(=O)N[C@H]1C 829969059 MUQYMHGEYPJMGW-ZUZCIYMTSA-N 322.365 -0.145 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N1CC[C@@H](N2CCOC2=O)C1 852432973 RKJNRRHPWZKGSO-GHMZBOCLSA-N 310.354 -0.087 30 20 DBED C#CC1(O)CN(C(=O)CCn2nc(O)c3ccccc3c2=O)C1 890520064 WMOYPQFUTVZUBS-UHFFFAOYSA-N 313.313 -0.301 30 20 DBED C#C[C@@H](NC(=O)C(=O)N1CCN(C)C(C)(C)C1)[C@H]1CCCO1 898003869 SEYAQYSYLUAJRL-CHWSQXEVSA-N 307.394 -0.164 30 20 DBED CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NO)cc1 916666179 SKZXAKJLSYJLKQ-UHFFFAOYSA-N 301.324 -0.229 30 20 DBED Cn1c(C=NNC(=S)NC2CC2)nc2c1c(O)nc(=O)n2C 920364182 QTIKLMZKEIEORT-UHFFFAOYSA-N 321.366 -0.667 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N[C@@H]1COCCC1(OC)OC 931666132 DSUFCQBIDGAIKQ-GHMZBOCLSA-N 315.370 -0.246 30 20 DBED O=C(N[C@@H]1CCN(C(=O)C#CC2CC2)C1)c1ccc(O)nn1 939269450 WPMWJZQMOYSDEU-LLVKDONJSA-N 300.318 -0.074 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](N(C)C(=O)CN2CCOCC2=O)C1 939406059 KOOYEIVZIOGGHQ-RYUDHWBXSA-N 322.365 -0.936 30 20 DBED CO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1NC(=O)c1cnn(C)c1C 941212130 PFZYYDUTWFLUSH-OASPWFOLSA-N 319.365 -0.156 30 20 DBED CO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1NC(=O)c1cnsn1 941272517 WLRGPRACFJWSLA-FXBDTBDDSA-N 309.351 -0.347 30 20 DBED C#Cc1cncc(C(=O)N2CCCN(C(=O)C(N)=O)CC2)c1 942132082 KLSGOCICQTUAHM-UHFFFAOYSA-N 300.318 -0.777 30 20 DBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC(NC(=O)C(N)=O)CC1 946867548 RGALANHLHOLKII-STQMWFEESA-N 323.393 -0.050 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@@H]1CNC(=O)[C@@H]1CC(=O)NC(=O)N1 949993515 BDCPNQKDOOYVEW-ZJUUUORDSA-N 322.365 -0.486 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2CCN2C(=O)c2cn(C)nn2)nc1 951378074 MNHOIBXHJOZXTI-GFCCVEGCSA-N 324.344 -0.164 30 20 DBED CN1CC[C@@H](C(=O)NC[C@H]2CCN2C(=O)C#CC2CC2)C1=O 951654335 ATEJLXRSSKOXKX-OLZOCXBDSA-N 303.362 -0.405 30 20 DBED N#Cc1cc(C(=O)N2[C@H]3CCC[C@H]2CN(C(=O)C(N)=O)C3)c[nH]1 952781898 RPJZCKRXQONHGF-RYUDHWBXSA-N 315.333 -0.423 30 20 DBED Cc1c(C(=O)N(C)C2CN(C(=O)C#CC3CC3)C2)nnn1C 953949288 YSWSUMZVOZGGGV-UHFFFAOYSA-N 301.350 -0.180 30 20 DBED C[C@@H](C#N)C(=O)N1CC(N(C)C(=O)c2ccc(=O)n(C)n2)C1 955372157 GRHQAIBOZVMBTO-VIFPVBQESA-N 303.322 -0.777 30 20 DBED C#CCCN1C[C@H](CNC(=O)c2ccnc3ccnn23)[C@@H](O)C1 958135054 KBKKDVUJJWVOAA-JSGCOSHPSA-N 313.361 -0.225 30 20 DBED CC#CCN1C[C@H](CNC(=O)c2ccoc2CC(N)=O)[C@@H](O)C1 958350589 SEYOKAQKZOXJOJ-AAEUAGOBSA-N 319.361 -0.647 30 20 DBED CN(C(=O)c1ccncn1)[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 958935024 HSCPYDCXORJKSM-KBPBESRZSA-N 314.345 -0.466 30 20 DBED C#CCN1C[C@H]2[C@H](NC(=O)CN3C(=O)CC(C)(C)C3=O)[C@H]2C1 959889401 BWIPGLHVCSCOMC-YABSGUDNSA-N 303.362 -0.549 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H]2CN(C(=O)c3cc[nH]n3)C[C@@H]21 960879647 DHQUDUUXYYRIOH-ZMLRMANQSA-N 303.322 -0.379 30 20 DBED N#CCN1C[C@H]2C(NC(=O)c3ccc(-n4cnnn4)cn3)[C@@H]2C1 961353671 BXBHMIRQKLYUHB-GHMZBOCLSA-N 310.321 -0.759 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)c1cn(C)c(O)n1 964335728 NNNRSSYMKDBUQV-VHSXEESVSA-N 321.337 -0.757 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)Cn1ncnn1 966407430 HVEZQVJDUYLPTC-ZYHUDNBSSA-N 302.338 -0.950 30 20 DBED C[C@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)Cn1cnnc1O)C2 969807055 YKXOSISGFKPXEM-VWYCJHECSA-N 318.337 -0.655 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)C1CN(Cc2nnnn2C)C1 970446151 BDACWIRRXPRFEO-RTXFEEFZSA-N 320.397 -0.262 30 20 DBED CC#CCN1CCO[C@@]2(CCN(C(=O)Cn3nccn3)C2)C1 972396719 CESBOJNWWJQEGA-HNNXBMFYSA-N 303.366 -0.395 30 20 DBED C=CCn1cc(C(=O)N[C@H]2C[C@H](NC(=O)c3cn[nH]c3)C2)nn1 973060994 TTXWCVNJLXBEFL-XYPYZODXSA-N 315.337 -0.122 30 20 DBED C[C@H](C(=O)N1CC2(CCCN(CC#N)C2)C1)N1C(=O)CCC1=O 981798064 QGOCTDNEKLIKQF-GFCCVEGCSA-N 318.377 -0.028 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H](N(C)C(=O)Cc2nc[nH]n2)C1 984598958 RQPRFSOYLHFRKV-GHMZBOCLSA-N 304.354 -0.044 30 20 DBED C=CCn1cc(C(=O)N2CCC(N(C)[C@@H](C)C(N)=O)CC2)nn1 985695411 MSEJMAKPDZOZRS-NSHDSACASA-N 320.397 -0.126 30 20 DBED COc1c(O)nc(O)nc1C(=O)N1CCC(N(C)CC#N)CC1 985754826 QJIASXHQIQBPSY-UHFFFAOYSA-N 321.337 -0.044 30 20 DBED C[C@@H]1[C@@H](NC(=O)[C@H]2CN(C)C(=O)N2)CCN1C(=O)C#CC1CC1 989239863 MRRYPDKBLFHQFL-KGYLQXTDSA-N 318.377 -0.471 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H](NC(=O)[C@@H]2CCCN2C(N)=O)C1 989266788 KHTFLEZPWNAGGY-SRVKXCTJSA-N 321.381 -0.204 30 20 DBED O=C(C[C@H]1CCS(=O)(=O)C1)NC1CN(C(=O)C#CC2CC2)C1 995063594 RGCCERWYQCMXHA-GFCCVEGCSA-N 324.402 -0.448 30 20 DBED CC1(C)CN(C(=O)CN2C(=O)NC(=O)C2(C)C)C[C@@H]1NCC#N 996486519 DYIQUHOUXDIFBN-JTQLQIEISA-N 321.381 -0.333 30 20 DBED C#Cc1ccc(C(=O)N2CC(CNC(=O)c3nnn(C)n3)C2)cc1 1003714383 FUYOCZFJBOUKGI-UHFFFAOYSA-N 324.344 -0.307 30 20 DBED N#CCN1CCC[C@@H](NC(=O)Cc2ccc(C(N)=O)nc2)C1 1007634798 DCLLPRYKQFGCSC-GFCCVEGCSA-N 301.350 -0.173 30 20 DBED N#CCN1CCC[C@@H](NC(=O)C2CC3(C2)NC(=O)NC3=O)C1 1008842940 BMAXWHXFWDSZQT-OPASDULOSA-N 305.338 -0.921 30 20 DBED C[C@H](C#N)C(=O)N1CCCC2(CN(C(=O)[C@H]3CCNC3=O)C2)C1 1010769624 HYGIPFAPTOBUBI-NEPJUHHUSA-N 318.377 -0.267 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCCN(C(=O)Cn3cnnn3)C2)C1 1010823735 CATHODXUWWMILR-LLVKDONJSA-N 317.353 -0.716 30 20 DBED C[C@@H]1[C@H](NC(=O)Cn2cnnc2O)CCN1C(=O)C#CC1CC1 1011738159 DOHYZSJKCSQFCD-ZYHUDNBSSA-N 317.349 -0.497 30 20 DBED N#Cc1ccc(C(=O)NC2[C@H]3CN(C(=O)Cn4cccn4)C[C@H]23)[nH]1 1012970912 GHLWESSMBLQPBG-RYUDHWBXSA-N 324.344 -0.030 30 20 DBED C[C@@H](C#N)C(=O)N1CC=C(CNC(=O)c2ncn(C)n2)CC1 1017430914 YTWXRLMMYDZQRY-JTQLQIEISA-N 302.338 -0.137 30 20 DBED N#Cc1c[nH]c(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCCO3)C2)c1 1022991546 JUSAFDWSTXUSBI-UPJWGTAASA-N 318.333 -0.633 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccnc(O)c2)C1 1023375366 LVCMTOBSOKCWMN-JMJZKYOTSA-N 304.306 -0.752 30 20 DBED C[C@@H](c1nnnn1C)N1CC(CNC(=O)c2cc(C#N)c[nH]2)C1 1031603982 CNIRGMZCQGBQLW-VIFPVBQESA-N 314.353 -0.167 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCC1CN(CC(=O)N2CCC2)C1 1031987734 YJCABKHUZJNHSG-KGLIPLIRSA-N 307.394 -0.142 30 20 DBED COc1c(O)nc(O)nc1C(=O)N(C)[C@@H]1CCN(CC#N)C1 1033577938 RRTJUSYMUANHDJ-MRVPVSSYSA-N 307.310 -0.434 30 20 DBED C#CCN1CCO[C@H](CNC(=O)c2cc(=O)c(OC)c[nH]2)C1 1035453092 VCXSPYFQGQLJAX-LLVKDONJSA-N 305.334 -0.553 30 20 DBED O=C(NC[C@@]1(O)CCN(C(=O)C#CC2CC2)C1)c1csnn1 1040373964 FWFXLQCRURCVJQ-AWEZNQCLSA-N 320.374 -0.355 30 20 DBED Cc1nc[nH]c1CC(=O)NC[C@]1(O)CCN(C(=O)[C@H](C)C#N)C1 1040455315 XBEVKWJNOZYZLL-MEBBXXQBSA-N 319.365 -0.500 30 20 DBED C=CC(C)(C)C(=O)NC[C@@]1(O)CCN(C(=O)Cc2nc[nH]n2)C1 1040489799 CSAFXINBOBUIIL-HNNXBMFYSA-N 321.381 -0.361 30 20 DBED Cc1cnn(C)c1C(=O)NC[C@]1(O)CCN(C(=O)[C@H](C)C#N)C1 1040597130 KRBZQTYFYYMIRS-MEBBXXQBSA-N 319.365 -0.419 30 20 DBED CCn1ncc(C(=O)N2CC[C@@](O)(CNC(=O)[C@H](C)C#N)C2)n1 1040764783 YXWOITTWEHSHRP-QMTHXVAHSA-N 320.353 -0.849 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2ccccn2)C1 1041165191 CTCWYKPDLLCKFK-LBPRGKRZSA-N 319.361 -0.024 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)[C@H](C2CC2)N(C)C)C1 1041963591 UQTDFHCUNPFJBQ-AWEZNQCLSA-N 309.410 -0.018 30 20 DBED CSCC(=O)N1CC(O)(CNC(=O)c2cc(C#N)c[nH]2)C1 1042400723 GWYZAOSEYYHYTL-UHFFFAOYSA-N 308.363 -0.448 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)[C@@H]2CCCCO2)C1 1042567823 FNCDNJYUXLMORP-STQMWFEESA-N 324.377 -0.717 30 20 DBED C[C@H]1C[C@@H](C(=O)NCC2(O)CN(C(=O)C#CC3CC3)C2)CO1 1043622304 BOEFZRMOFVSZDQ-WCQYABFASA-N 306.362 -0.486 30 20 DBED N#Cc1cnccc1N1C[C@H](O)[C@H](NC(=O)[C@H]2CCCO2)C1 1043844681 HADCFSQKAUTCAF-KWCYVHTRSA-N 302.334 -0.202 30 20 DBED C=CCCCC(=O)N1CC(O)(CNC(=O)[C@H](COC)OC)C1 1046242935 FTPAMCZTCIDDPK-LBPRGKRZSA-N 314.382 -0.306 30 20 DBED N#Cc1cnc(N[C@H]2C[C@H](CNC(=O)[C@H]3C[C@H]3C(N)=O)C2)cn1 1047020150 VNRUFBJLWATWFD-IQIPOGNMSA-N 314.349 -0.224 30 20 DBED Cc1nn2cccnc2c1C(=O)N(C)[C@H]1CN(CC#N)C[C@@H]1O 1047632018 VXSLQXUJSAWDEN-RYUDHWBXSA-N 314.349 -0.322 30 20 DBED Cn1nnc2c(C(=O)NC[C@H]3COCCN3CC#N)ccnc21 1051083689 IGHLVUFOBRPHFM-JTQLQIEISA-N 315.337 -0.683 30 20 DBED C=CC(C)(C)C(=O)N1CCO[C@@H](CNCc2nnn(C)n2)C1 1051755143 FCWVQMFDRSHQMN-NSHDSACASA-N 308.386 -0.261 30 20 DBED C=CCCN1CCN([C@H]2CCN(C(=O)[C@H]3CNC(=O)N3)C2)CC1 1052072758 BVWSLQFHHDYXLQ-UONOGXRCSA-N 321.425 -0.538 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)c3cn(C)c(=O)cn3)CO2)C1 1053874204 AJYJBCYPIGDZNY-GFCCVEGCSA-N 316.361 -0.623 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)[C@@H]3CCCN3C(N)=O)CO2)C1 1054024316 LMFLWFOYGTYCTI-NEPJUHHUSA-N 306.366 -0.878 30 20 DBED C=C(C)CN[C@@H]1CN(C(=O)Cn2ccc(=O)n(C)c2=O)C[C@H]1C 1054701059 ASAWLBISXNGGBD-CHWSQXEVSA-N 320.393 -0.440 30 20 DBED Cc1ncc(C(=O)N2CCC[C@@](CO)(NC(=O)[C@@H](C)C#N)C2)[nH]1 1056094909 YMDGUVYVELYCAN-ZUZCIYMTSA-N 319.365 -0.039 30 20 DBED C[C@H](C#N)C(=O)N[C@@]1(CO)CCCN(C(=O)Cn2ccnc2)C1 1056096518 IPRUPXUESTWNDE-DOMZBBRYSA-N 319.365 -0.488 30 20 DBED Cc1cc(C#N)nc(N2C[C@@H]3C(NC(=O)c4[nH]nnc4C)[C@H]3C2)n1 1056362621 QBXDCPGRPQQUST-QWRGUYRKSA-N 324.348 -0.052 30 20 DBED CN1CCOC[C@@H]1C(=O)N1CC[C@@H](Nc2cnc(C#N)cn2)C1 1056608993 FBPMOEQHESMDCS-DGCLKSJQSA-N 316.365 -0.308 30 20 DBED CN1C[C@H](C(=O)N2CC[C@@H](Nc3cnc(C#N)cn3)C2)NC1=O 1056745020 MPCKGCBTFVOLRN-MWLCHTKSSA-N 315.337 -0.615 30 20 DBED CSCCC(=O)NCCN(CCO)C(=O)CSCC#N 1057026759 KWLIXKRXVVQHIK-UHFFFAOYSA-N 319.452 -0.067 30 20 DBED CN(C)CCC(=O)NCCN(CCO)C(=O)c1ccc(C#N)[nH]1 1057369502 XPWPOQFBBBFBAJ-UHFFFAOYSA-N 321.381 -0.611 30 20 DBED C[C@H](C(=O)N(CCO)CCNC(=O)[C@H](C)C#N)c1cncnc1 1058490069 VFBQWLOTYTVTRX-NEPJUHHUSA-N 319.365 -0.323 30 20 DBED Cc1cc(C(=O)NCCN(CCO)C(=O)[C@H](C)C#N)cnn1 1058653467 WDBWPQFNCOPLMH-SNVBAGLBSA-N 305.338 -0.505 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1CCN(C(=O)[C@@H]2COCCO2)C1 1058846010 DAABCKNGSFYXBO-JSGCOSHPSA-N 302.334 -0.197 30 20 DBED N#Cc1nccnc1N[C@H]1C[C@H](NC(=O)[C@H]2CCCNC2=O)C1 1059325330 DIWWJLYCOLCFCX-DCAQKATOSA-N 314.349 -0.066 30 20 DBED N#Cc1nc(=N[C@@H]2CC[C@@H]3CN(C(=O)c4cnn[nH]4)C[C@@H]32)cc[nH]1 1060559055 JRPVZIRDABRIEU-OUAUKWLOSA-N 324.348 -0.149 30 20 DBED CC(C)C#CC(=O)N1CC2(CCN(C(=O)CNC(N)=O)CC2)C1 1060998497 JLXOMJFAYPHDJE-UHFFFAOYSA-N 320.393 -0.235 30 20 DBED C#CCCCC(=O)N1CCOC[C@@H]1CNC(=O)c1cn(C)nn1 1061550556 QEOJWHLDEBXZBT-LBPRGKRZSA-N 319.365 -0.424 30 20 DBED Cn1ncc(C(=O)N2C[C@@H]3C[C@H]2CN3c2cncc(C#N)n2)n1 1062508734 UHFSZNSKUWRVGU-QWRGUYRKSA-N 310.321 -0.420 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(NC(=O)[C@H](C)NC(N)=O)CCC1 1063041861 GQSNJUZNTBPHHZ-QWRGUYRKSA-N 324.381 -0.763 30 20 DBED N#Cc1cnc(N2CCO[C@H](CNC(=O)c3cc[nH]n3)C2)cn1 1063611017 PPTLWUQVCYFBKV-LLVKDONJSA-N 313.321 -0.293 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)[C@@H](C)NC(C)=O)CCO1 1064815588 YNSWUDNHXCGFIC-YPMHNXCESA-N 311.382 -0.179 30 20 DBED C=CCCC(=O)N1CCO[C@@H](CNC(=O)[C@H]2CC(=O)N(C)C2)C1 1064957194 DABDRCIJOJFAFQ-STQMWFEESA-N 323.393 -0.226 30 20 DBED C=CCCC(=O)N1CCO[C@@H](CNC(=O)[C@@H](COC)OC)C1 1064957733 PBMBTMBHTMMCAK-QWHCGFSZSA-N 314.382 -0.042 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCO[C@@H](CNC(=O)c2cnn[nH]2)C1 1065092914 OFWZGUFBYAQQFU-HZMBPMFUSA-N 323.353 -0.911 30 20 DBED C=CCC1(C(=O)NC[C@@H]2CN(C(=O)C(N)=O)CCO2)CCC1 1065550283 IJZKUSYMWPHVTQ-LLVKDONJSA-N 309.366 -0.438 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)C(C)(C)C(N)=O)C1 1065557919 WVSMWHUAMSWSDA-ZJUUUORDSA-N 310.354 -0.999 30 20 DBED N#Cc1ccc(N2CCOC[C@@H]2CNC(=O)[C@@H]2CCCO2)nn1 1066458088 YECJYBJMQMQDJX-STQMWFEESA-N 317.349 -0.151 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1COC2(C1)CN(C(=O)[C@@H]1[C@H]3COC[C@H]31)C2 1069007621 IMNJJLKYRCBJCQ-JZRPKSSGSA-N 319.361 -0.475 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1COC2(C1)CN(C(=O)c1ccn(C)n1)C2 1069009376 ZAKLRBPOEZAHJN-GHMZBOCLSA-N 317.349 -0.321 30 20 DBED N#CCN1C[C@H]2C[C@H]3CN(C(=O)c4ccc(O)nn4)C[C@@]3(C1)O2 1070755993 YXEPWQRMTWEOCS-FIXISWKDSA-N 315.333 -0.379 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CCNC2=O)C1 1071068252 WRXAPWROMWZKHA-CHWSQXEVSA-N 305.378 -0.111 30 20 DBED C#CCCCC(=O)N[C@H]1CN(C(=O)CS(C)(=O)=O)C[C@@H]1C 1071726077 HAZDUEAOIUDKLK-RYUDHWBXSA-N 314.407 -0.202 30 20 DBED CC#CCN1CCC2(C1)CN(C(=O)[C@H]1COCCN1C(C)=O)C2 1073441218 BTSUYADOEYJPFL-OAHLLOKOSA-N 319.405 -0.209 30 20 DBED C#CCCN1CCCO[C@@H](CNC(=O)c2c[nH]c(C(N)=O)c2)C1 1073890616 HAMAAFCKQPRLRM-ZDUSSCGKSA-N 318.377 -0.042 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H](C)CCNC(=O)Cn1cccn1 1075610759 VTFRXDZNHBIEQD-QWHCGFSZSA-N 306.366 -0.068 30 20 DBED CCN(C(=O)C#CC1CC1)C1CN(C(=O)Cc2nc[nH]n2)C1 1079739010 CGWOBVKDAKOARR-UHFFFAOYSA-N 301.350 -0.180 30 20 DBED C#Cc1ccc(C(=O)N2C[C@H](O)[C@H](CNC(=O)COC)C2)cc1 1081165811 DKFJZCBGEIVTRN-CABCVRRESA-N 316.357 -0.137 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@H](CNC(=O)c2ccnn2C)C1 1081321235 MOPMICHACFYFGP-OCCSQVGLSA-N 318.377 -0.371 30 20 DBED CC(C)(O)CC(=O)N1C[C@H](CNC(=O)C#CC2CC2)[C@@H](O)C1 1081470774 FSOYUAWCNXHACD-STQMWFEESA-N 308.378 -0.504 30 20 DBED C[C@H](CC(=O)N1CCO[C@@H]2CN(CC#N)C[C@@H]21)N1CCCC1=O 1083246398 PDDBNRRZXJQXBL-HZSPNIEDSA-N 320.393 -0.177 30 20 DBED Cc1cn2c(n1)C[C@@H](C(=O)N[C@@H]1CN(CC#N)C[C@@H]1O)CC2 1083568546 CRUQLVQYXXGKBX-XQQFMLRXSA-N 303.366 -0.561 30 20 DBED CC1(C)CC(=O)N(CC(=O)N2C[C@H]3CCN(CC#N)C[C@H]32)C1=O 1084343884 BNCZOEMWBADFJJ-VXGBXAGGSA-N 318.377 -0.172 30 20 DBED C#CCCN1CC[C@@H]2CN(C(=O)CN3CCC(=O)NC3=O)[C@@H]2C1 1084759970 LRAHHBJFSCYTJA-CHWSQXEVSA-N 318.377 -0.516 30 20 DBED C#CCCN1CC[C@@H]2CN(C(=O)CN3C(=O)CNC3=O)C[C@@H]2C1 1088193467 FDCLSAFOINKBAD-OLZOCXBDSA-N 318.377 -0.658 30 20 DBED COC[C@@H](OC)C(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@H]1O 1090527728 FADFMLGIFYCWSJ-JHJVBQTASA-N 320.349 -0.720 30 20 DBED Cn1nnnc1CNC1CC(CNC(=O)c2cc(C#N)c[nH]2)C1 1090970221 PZQKZMGDKILWPY-UHFFFAOYSA-N 314.353 -0.292 30 20 DBED CC[C@@H](C(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@@H]1O)N(C)C 1091123160 NBSIPSUWWRACJJ-ILXRZTDVSA-N 317.393 -0.041 30 20 DBED N#Cc1nccnc1N[C@H]1C[C@H](CNC(=O)CCNC(N)=O)C1 1091457594 MVUFKXWYXNVUFJ-MGCOHNPYSA-N 317.353 -0.287 30 20 DBED CC1(C)CC[C@H](CNC(=O)C(N)=O)N(c2cncc(C#N)n2)C1 1092121832 RHFFUYXYIJPEGI-LLVKDONJSA-N 316.365 -0.055 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CN(c2nccn3nnnc23)C[C@H]1C 1092336695 REGOIKKYMHLSQI-HBNTYKKESA-N 314.353 -0.133 30 20 DBED CCc1nc(C#N)cc(NCCNC(=O)CN(C)C(C)=O)n1 1093526703 UXCDPGDXXRFWED-UHFFFAOYSA-N 304.354 -0.083 30 20 DBED N#Cc1nc(=NCCNC(=O)COC[C@H]2CCOC2)cc[nH]1 1093866904 MUFPBBZJJUNIHS-NSHDSACASA-N 305.338 -0.649 30 20 DBED CO[C@H](C(=O)NCCNc1cncc(C#N)n1)[C@H]1CCOC1 1094013077 XWBLNFZHNDLUEA-GWCFXTLKSA-N 305.338 -0.072 30 20 DBED CC#CCN1CCN(C(=O)c2ncc[nH]2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094629935 RURZSFMCIXNSCY-NWDGAFQWSA-N 322.390 -0.644 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)c3cccc(O)n3)CC2=O)C1 1094724017 QTEUYCFTLWQKMF-NSHDSACASA-N 314.345 -0.565 30 20 DBED C=C(C)CN1CC(N2C[C@H](NC(=O)c3cn(C)nn3)CC2=O)C1 1094729436 CKZJZQUVUMJGEY-LLVKDONJSA-N 318.381 -0.594 30 20 DBED Cc1cc(=NCCCNC(=O)C2(C(N)=O)CC2)c(C#N)c[nH]1 1094740725 JPEPSZJWJQFDLT-UHFFFAOYSA-N 301.350 -0.133 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)Cc3cscn3)CC2=O)C1 1094792622 RPIXDWUCLZTXDE-LLVKDONJSA-N 318.402 -0.280 30 20 DBED CC(=O)N[C@@H](C)C(=O)N1CCCN(c2ccc(C#N)nn2)CC1 1095161563 XZGCQIDLDAUAEW-NSHDSACASA-N 316.365 -0.088 30 20 DBED CNC(=O)NCC(=O)N1CCC[C@@H](Nc2nccnc2C#N)C1 1095330551 UYFZSPZJBORJNX-SNVBAGLBSA-N 317.353 -0.320 30 20 DBED CN(CCCNC(=O)c1nnn(C)n1)c1ccnc(C#N)n1 1095698435 WVTZRGHNMFMUSJ-UHFFFAOYSA-N 301.314 -0.872 30 20 DBED CO[C@H](C)C(=O)NCCN1CCN(c2ccc(C#N)nn2)CC1 1096270876 LWJQHMJMXKTFTC-GFCCVEGCSA-N 318.381 -0.379 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CCN(c2nc(O)c3cnn(C)c3n2)C1 1096338958 OAYNGNCNHXYWIK-IUCAKERBSA-N 315.337 -0.077 30 20 DBED CNC(=O)NCC(=O)N[C@H]1C[C@@H](Nc2ccc(C#N)cn2)C1 1097258706 ZEKSVIBPSRYMFU-PHIMTYICSA-N 302.338 -0.059 30 20 DBED C[C@H](CCNC(=O)Cn1cnnn1)Nc1ccc(C#N)nn1 1098817117 GIIXZQBONNHBID-SECBINFHSA-N 301.314 -0.658 30 20 DBED C#CCN1C[C@@H](NC(=O)CC(=O)NC)CC2(CCOCC2)C1 1099576392 CLOPOXDFXQPYGC-ZDUSSCGKSA-N 307.394 -0.257 30 20 DBED C=C(Cl)CN1CC[C@H](NC(=O)CNC(=O)OC)[C@H](O)C1 1099696483 ZANUMJOQPUOZTF-VHSXEESVSA-N 305.762 -0.354 30 20 DBED COC(=O)[C@H]1C[C@@H]1C(=O)NCCN(C)c1ccnc(C#N)n1 1099961596 ZIKHOGASHYPTDC-UWVGGRQHSA-N 303.322 -0.290 30 20 DBED CCN1CCO[C@H](C(=O)NCCN(C)c2ccnc(C#N)n2)C1 1100135063 GXOJRZUHYCSPEE-LBPRGKRZSA-N 318.381 -0.379 30 20 DBED C=C(C)CNC1CC(CNC(=O)CNS(=O)(=O)CC)C1 1100379063 COFWDAPLCXMLAT-UHFFFAOYSA-N 303.428 -0.014 30 20 DBED CCc1nc(C#N)cc(N(CC)CCNC(=O)CNC(C)=O)n1 1100439723 RDXPNJNABLCCRU-UHFFFAOYSA-N 318.381 -0.011 30 20 DBED CCN(CCNC(=O)[C@H](C)C#N)c1ncnc2c1nnn2C 1100472849 OCJZVNPPDQWOFF-SECBINFHSA-N 302.342 -0.140 30 20 DBED CCN(CCNC(=O)C(C)(C)C(N)=O)c1ccnc(C#N)n1 1100639228 APDUYBGABSWLLH-UHFFFAOYSA-N 304.354 -0.198 30 20 DBED CCn1cc(C(=O)NCC2CC(NCC(=O)NCC#N)C2)nn1 1100802739 HNZOFSTVRBHFEH-UHFFFAOYSA-N 319.369 -0.964 30 20 DBED CN(CCNc1ccc(C#N)cn1)C(=O)Cn1ncn(C)c1=O 1101850352 WKVXXDDNEAQNTD-UHFFFAOYSA-N 315.337 -0.581 30 20 DBED CN1C[C@@H](C(=O)N(C)CCNc2ccc(C#N)nn2)CC1=O 1102004133 DYMUSNCRXXVDOI-JTQLQIEISA-N 302.338 -0.303 30 20 DBED C=CCN1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCS(=O)(=O)N2)C1 1103730144 DELWCXHPFRELMA-JHJVBQTASA-N 315.439 -0.062 30 20 DBED Cc1cc(C#N)nc(NC2(CNC(=O)C(N)=O)CCCC2)n1 1104424926 GODBRJXFVRIVNK-UHFFFAOYSA-N 302.338 -0.017 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)Cn1cncn1 1104570922 YSVODNVMNLKUFB-SNVBAGLBSA-N 300.326 -0.679 30 20 DBED N#CCNCc1cn(C2CN(C(=O)CCc3nc[nH]n3)C2)nn1 1105204475 ASRRLRMCDHTTTI-UHFFFAOYSA-N 315.341 -0.975 30 20 DBED CC(C)[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)Nc1nccnc1C#N 1105277990 QZTAKKVZBHTRQB-MNOVXSKESA-N 317.353 -0.418 30 20 DBED C[C@]1(C(=O)NC[C@H](O)CNc2ccc(C#N)nn2)CCOC1 1105939541 VGDPHSKWUPAHRZ-RISCZKNCSA-N 305.338 -0.336 30 20 DBED CCN(C)C(C)(C)C(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1 1106010756 FOQIBOHGJIGKQO-NSHDSACASA-N 320.397 -0.611 30 20 DBED Cc1cncn1CC(=O)NC[C@H](O)CN=c1cc[nH]cc1C#N 1106026694 PEZJTXIBCCRNRK-CYBMUJFWSA-N 314.349 -0.531 30 20 DBED CN(C)CC1(C(=O)NC[C@H](O)CNc2nccnc2C#N)CC1 1106100399 NTIVEDRIQIEUDQ-LLVKDONJSA-N 318.381 -0.421 30 20 DBED CC[C@H](NC(C)=O)C(=O)N(CC)CCN=c1cc[nH]c(C#N)n1 1106954791 OCWDGEBRRQAODW-LBPRGKRZSA-N 318.381 -0.055 30 20 DBED C[C@H](CNc1ccc(C#N)nn1)NC(=O)CCn1cnnn1 1107891151 MDSDDLSQLASJSF-SECBINFHSA-N 301.314 -0.658 30 20 DBED CC#CCN1CCO[C@@](C)(CNC(=O)CCN2CCOCC2)C1 1108280562 TZLKQOUAJSCZRU-KRWDZBQOSA-N 323.437 -0.061 30 20 DBED C#Cc1ccc(C(=O)NC[C@]2(C)CN(CCO)CCO2)nc1 1108352310 VLIVAMCDZSQSFM-MRXNPFEDSA-N 303.362 -0.124 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1nnn(C)n1 1109212710 GTRGTOBLWCYVNR-YXMPFFBPSA-N 320.397 -0.241 30 20 DBED COC(=O)[C@@H]1C[C@@H]1C(=O)N(C)CCCN=c1cc[nH]c(C#N)n1 1109416242 WPKHNWVMSISTQM-WDEREUQCSA-N 317.349 -0.160 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CC1(O)CCC1 1110538156 QEURPENKVMNUOU-MCIONIFRSA-N 319.405 -0.238 30 20 DBED CO[C@@H](C)C(=O)N(C)[C@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1111171143 SCJXOBBNRZQMAI-DLOVCJGASA-N 305.338 -0.609 30 20 DBED Cn1ncc(C(=O)N(CCO)CCNc2ncccc2C#N)n1 1111484659 MNYMNEGTCHMOCV-UHFFFAOYSA-N 315.337 -0.372 30 20 DBED CC#CCN1CCC2(CC1)CN(C(=O)CNC(N)=O)C[C@@H](C)O2 1111536048 YFYBZKPQGSIDEA-CYBMUJFWSA-N 322.409 -0.240 30 20 DBED C=CCOCC(=O)NC[C@H]1COCCN1c1ccnc(C#N)n1 1111672342 WOUPIGPBHXZJHZ-LBPRGKRZSA-N 317.349 -0.128 30 20 DBED CC(=O)NCC(=O)N(C)CCCN(C)c1cncc(C#N)n1 1112028469 NOBWHHVFQBDVRR-UHFFFAOYSA-N 304.354 -0.231 30 20 DBED CC#CCNC[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CNC(=O)N1)C2 1112519469 KZQBSGMIAHHQRF-XEZPLFJOSA-N 304.394 -0.091 30 20 DBED C[C@@H](N=c1cc[nH]cc1C#N)[C@@H](C)NC(=O)CS(C)(=O)=O 1112927228 YCDQULLDWKJMJE-NXEZZACHSA-N 310.379 -0.275 30 20 DBED CC(=O)N(C)CC(=O)NC[C@@H](C)N(C)c1ccc(C#N)nn1 1113498415 RHNRMPBXBQMJJG-SNVBAGLBSA-N 304.354 -0.233 30 20 DBED N#CCNC(=O)CN1C[C@H]2C(NC(=O)c3ccc(C#N)[nH]3)[C@@H]2C1 1114143467 OYLDUZNYCUVTFF-GHMZBOCLSA-N 312.333 -0.814 30 20 DBED COC[C@H](O)CN1C[C@H]2C(NC(=O)c3c[nH]c(C#N)c3)[C@@H]2C1 1114148576 ITHPZOCFMGIAHR-JHJVBQTASA-N 304.350 -0.446 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@H]2CN(CCOCC=C)C[C@H]12 1114160191 SVOLDFBYGIXEHI-STQMWFEESA-N 305.378 -0.625 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@H]1[C@@H]2CN(Cc3nnnn3C)C[C@@H]21 1114194297 NUQCEPDAYLOMDM-PJQZNRQZSA-N 306.370 -0.916 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)c3cnn(CC)n3)[C@H]2C1 1114217679 UMZQMAILFWATCO-QWRGUYRKSA-N 318.381 -0.740 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)C[C@@H]3CCN(C)C3=O)[C@H]2C1 1114445170 LILJSJIRQFYKLS-TTZDDIAXSA-N 319.405 -0.449 30 20 DBED CC(F)(F)CC(=O)NC1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]12 1114782598 DMHNQIISHAFQIJ-RKDXNWHRSA-N 300.309 -0.282 30 20 DBED N#CCNC(=O)CN1C[C@H]2C(NC(=O)c3cc(Cl)no3)[C@@H]2C1 1115150472 XFDPFGZOIJYYOO-HTQZYQBOSA-N 323.740 -0.372 30 20 DBED C=CCN1C[C@H]2C(NC(=O)CCNC(=O)[C@H]3CCCO3)[C@@H]2C1 1115349965 KXOKDZRWDOVUFL-JHJVBQTASA-N 307.394 -0.096 30 20 DBED C=C(C)CN(C)C(=O)C(=O)N1CCC[C@H](S(=O)(=O)NC)C1 1118765916 CUOBFVAHNWDBDQ-NSHDSACASA-N 317.411 -0.439 30 20 DBED N#Cc1cnc(N[C@@H](CO)CNC(=O)C[C@H]2COC(=O)C2)cn1 1121304792 ZAMVDMXNTZJGRN-MWLCHTKSSA-N 319.321 -0.810 30 20 DBED Cc1cc(C(=O)NC[C@@H](CO)N=c2cc[nH]c(C#N)n2)cnn1 1121360861 YUTOTZJLQJODPC-NSHDSACASA-N 313.321 -0.929 30 20 DBED N#Cc1c(F)cccc1N[C@@H](CO)CNC(=O)[C@H]1COC(=O)N1 1121387108 NCAFGSXBPWJSBL-PRHODGIISA-N 322.296 -0.305 30 20 DBED CC[C@@H](NC(C)=O)C(=O)NC[C@H](CO)Nc1ccc(C#N)nn1 1122644904 PYZSTQTWDQZXEB-VXGBXAGGSA-N 320.353 -0.848 30 20 DBED CNC(=O)CC(=O)N1CC[C@H](N=c2cc[nH]c(C#N)n2)[C@H]1C 1122972503 VUWCGPGDZYRFFE-ZJUUUORDSA-N 302.338 -0.692 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]cc1C#N)C(=O)c1cc[nH]n1 1124047724 WKUCAJCBDJAJLM-NSHDSACASA-N 300.322 -0.357 30 20 DBED COCCOCC(=O)N(C)C[C@H](O)CNc1ccc(C#N)cn1 1124191466 MRWYSSPAHAHWCC-CYBMUJFWSA-N 322.365 -0.153 30 20 DBED CN(C[C@@H](O)CNc1cncc(C#N)n1)C(=O)c1cccnn1 1124461523 ZYFVUNNQPLQHGW-NSHDSACASA-N 313.321 -0.317 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)[C@H]2CCNC(=O)C2)C1=O 1125631112 SPFVDYSXBVPWGI-RYUDHWBXSA-N 308.382 -0.995 30 20 DBED C#CCNC(=O)CC(=O)NCCN[C@@H](C)c1cnc(C)cn1 1125994992 RBFRPSHISJGWSB-LBPRGKRZSA-N 303.366 -0.309 30 20 DBED C=CCOCCNCCNC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 1127260723 DVPAEEBMSPBDAB-GFCCVEGCSA-N 321.381 -0.329 30 20 DBED CS(=O)(=O)NCCC(=O)NCCNCc1ccccc1C#N 1128600907 IHSPBUVIOLSQIT-UHFFFAOYSA-N 324.406 -0.297 30 20 DBED C=C(C)CN(CC)C(=O)CNCCNC(=O)c1cnnc(O)c1 1129992794 VPFOEWPYHUQOPS-UHFFFAOYSA-N 321.381 -0.074 30 20 DBED CC#CCN[C@@H]1CN(C(=O)c2ccncn2)C[C@@H]1n1ccnn1 1130045929 DIVKZZNRWWHDJV-KGLIPLIRSA-N 311.349 -0.253 30 20 DBED C=CCNC(=O)CN1C[C@H](NC(=O)c2cn(C)nn2)CC[C@H]1C 1132039080 WRAMDEGAYGQSHI-VXGBXAGGSA-N 320.397 -0.300 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)Cn2c(O)nnc2O)CC[C@@H]1C 1133271087 NHMSWVFRFVXQSX-NWDGAFQWSA-N 321.381 -0.213 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NCCN[C@@H](C)C(=O)N(C)C 1134817480 YCAFJDPYHHFKJM-AAEUAGOBSA-N 312.414 -0.360 30 20 DBED C=CCCn1cc(C(=O)NCCN[C@@H]2CCCNC2=O)nn1 1135075264 CZHDNCOSJDANHC-LLVKDONJSA-N 306.370 -0.548 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)c1c(C)cnn1C 1135219109 QLKZEJJTOLFWBG-STQMWFEESA-N 319.409 -0.036 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)CN(CC)CC 1135705862 KHQSQQJYBBHVLZ-ZIAGYGMSSA-N 310.442 -0.050 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)c1ccncn1)NCC(=O)NCC#N 1135746976 MCQXVXSQGYAQIX-WDEREUQCSA-N 304.354 -0.397 30 20 DBED C#CCO[C@H](C)C(=O)N1CC2(CCN(CC(=O)NC3CC3)C2)C1 1147530354 KJKBEHGGQAYQHX-CYBMUJFWSA-N 319.405 -0.162 30 20 DBED C#CCOc1ncccc1C(=O)NCCNCc1nnn(C)n1 1148302212 GFGBDMRUMLMEIK-UHFFFAOYSA-N 315.337 -0.863 30 20 DBED COCC#CCN1CCCO[C@H](CNC(=O)c2cnnn2C)C1 1149646416 LQQXQZGXNAPYAI-CYBMUJFWSA-N 321.381 -0.714 30 20 DBED CN1CC[C@H](N2CCCO[C@H](CNC(=O)C#CC3CC3)C2)C1=O 1149700111 FGHOSYNHCXIHSA-CABCVRRESA-N 319.405 -0.162 30 20 DBED C#CCNC(=O)CNCCNC(=O)CN(CC)c1ccccc1 1152121023 KJYKYFPLEMCNBP-UHFFFAOYSA-N 316.405 -0.032 30 20 DBED C#CCO[C@@H](C)C(=O)NCCCNCC(=O)NCCCOC 1157869309 JHLVXBDRLDOAOT-ZDUSSCGKSA-N 313.398 -0.727 30 20 DBED C=CCNC(=O)CNCCCNC(=O)c1cccc2ncnn12 1161907760 YTNHJYAPLRBGEZ-UHFFFAOYSA-N 316.365 -0.259 30 20 DBED CC1(C)CO[C@@H](CC(=O)NCCCNCC(=O)NCC#N)C1 1162346739 FGDAHXOJLYORGL-LBPRGKRZSA-N 310.398 -0.073 30 20 DBED C#CCNC(=O)CNCCCC[C@H](C)NC(=O)[C@@H]1CCNC1=O 1174661046 TZGLWQVYQUKXHO-QWHCGFSZSA-N 322.409 -0.864 30 20 DBED C#Cc1ccccc1CC(=O)NCCCNCC(=O)NC(N)=O 1174674416 URSUVKGUDOKOBK-UHFFFAOYSA-N 316.361 -0.499 30 20 DBED C#CCCN1CCO[C@@H]2CCN(C(=O)CNC(=O)CC)C[C@H]21 1176961946 CVKHFZZXGGWJBJ-ZIAGYGMSSA-N 307.394 -0.162 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1ccc(N(C)C)cn1 1177151768 UTBLLDJAAYQJJR-UHFFFAOYSA-N 317.393 -0.394 30 20 DBED C#CCC1(C(=O)N2CC[C@@H](N[C@H](C)C(N)=O)C2)CCOCC1 1183200896 YLKIKLPLMNUGQN-CHWSQXEVSA-N 307.394 -0.129 30 20 DBED C=CCNCc1cn([C@@H]2CCCN(C(=O)CNC(C)=O)C2)nn1 1185855906 JFWWJXDXSVTURO-CQSZACIVSA-N 320.397 -0.147 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2cn(CCC)nn2)C1 1186621866 DLPMVRFKAHDAII-GFCCVEGCSA-N 318.381 -0.758 30 20 DBED C=CCNC(=O)CN1C[C@@H]2CCN(C(=O)[C@@H]3COCCO3)[C@@H]2C1 1186908698 POMALZFBJPNVND-MJBXVCDLSA-N 323.393 -0.763 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H]2CN(CCOCC=C)C[C@H]21 1187591947 ZZRHEXMHOLQXRH-LSDHHAIUSA-N 319.405 -0.139 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)C[C@@](C)(O)C=C)[C@@H]2C1 1187755236 KKIKBVQSTLGZBX-VBQJREDUSA-N 319.405 -0.404 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@H]1CCN(C(=O)c2cnns2)C1 1189066802 HOSQZLVSFBIMTB-MNOVXSKESA-N 321.406 -0.178 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](N(C)CCOCC=C)C1 1189759932 FIOJAYQCUWWIEX-CQSZACIVSA-N 307.394 -0.139 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](N(C)CC(=O)NCCC)C1 1189761120 UMUMCZIDWXRVGW-CYBMUJFWSA-N 322.409 -0.815 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@H]1CCN(C(=O)c2ncc[nH]2)C1 1190045634 AFJWXNAAVCABJT-RYUDHWBXSA-N 303.366 -0.306 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)Cc2ccn(C)n2)C1 1190066078 DCKRYKRAZZLPKH-CQSZACIVSA-N 317.393 -0.755 30 20 DBED N#CCNC(=O)CN1C[C@@H]2CCN(C(=O)Cn3ccnc3)[C@@H]2C1 1190480977 OKWOIPWTRKSCEJ-QWHCGFSZSA-N 316.365 -0.944 30 20 DBED CO[C@H](C(=O)N1CC[C@H](N(C)CC(=O)NCC#N)C1)C1CCC1 1191586862 OWMSKNJWFWKSNE-ZFWWWQNUSA-N 322.409 -0.026 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(Cc2ccn(CC)n2)C[C@H]1O 1191778266 TYSSXWZKVPZIDU-ZIAGYGMSSA-N 308.382 -0.233 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)/C=C/c2ccc[nH]2)C1 1192453344 LNEVNEWSCPRUMU-QAMKJQMISA-N 318.377 -0.509 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)Cc2occc2C)C1 1196053746 IXYHEUOFUUMDCL-CHWSQXEVSA-N 321.377 -0.406 30 20 DBED CCC[C@@H](C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1O)C(C)C 1196519329 LSWNNJYYMDVPJT-MGPQQGTHSA-N 324.425 -0.140 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)[C@@H]2CCN(C)C2=O)CC1 1196862402 IXQQODGQTJQODY-CYBMUJFWSA-N 322.409 -0.699 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(Cc2nncn2C)C[C@H]1O 1199284812 VSTWOECDABHZIR-VXGBXAGGSA-N 309.370 -0.931 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)[C@@]2(C)CCNC2=O)CCCO1 1201396595 ZSYQFSDABPTVQS-CJNGLKHVSA-N 307.394 -0.257 30 20 DBED Cn1cncc1C(=O)N1CCC(NCC(=O)NCC#N)CC1 1201468058 BWPGCIDRMVIMAV-UHFFFAOYSA-N 304.354 -0.746 30 20 DBED C#CCNC[C@H]1CN(C(=O)c2ccc(N(C)C)nn2)CCCO1 1201880343 NZAIEXCDONDRLS-ZDUSSCGKSA-N 317.393 -0.004 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)Cc2cnoc2)CC1 1202144756 HLNQDKBVQHYACL-UHFFFAOYSA-N 304.350 -0.453 30 20 DBED COCC#CCN[C@@H]1C[C@@H](NC(=O)CCNC(N)=O)C12CCC2 1203711330 JGJGUJZBVPKVCZ-CHWSQXEVSA-N 322.409 -0.288 30 20 DBED C=CCCNCC1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)CC1 1205479718 USFMDEMVNZKMDT-LBPRGKRZSA-N 308.382 -0.011 30 20 DBED C=CCN(CC=C)C(=O)CN[C@@H]1CCCN(C(=O)C(N)=O)C1 1209367002 XDHKLWBBHZZTAR-GFCCVEGCSA-N 308.382 -0.747 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)c2ccn(C)n2)[C@H](C)C1 1211038123 FOUBWPDSLVLYDW-YRGRVCCFSA-N 317.393 -0.392 30 20 DBED C=CCOCCN1C[C@@H](NC(=O)[C@H](C)n2cncn2)[C@H](OC)C1 1212136292 HNGRNSAIUVBSCT-BFHYXJOUSA-N 323.397 -0.143 30 20 DBED COCC#CCN1C[C@@H](NC(=O)CCCC(N)=O)[C@H](OC)C1 1213983654 RGISDHMXGUGEOM-CHWSQXEVSA-N 311.382 -0.893 30 20 DBED C=CCCN[C@@H]1CN(C(=O)c2cn(C)c(=O)n(C)c2=O)C[C@H]1C 1215750593 NPXBDMSEZUWEPE-DGCLKSJQSA-N 320.393 -0.290 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)C(C)(C)F)C1 1219096802 AJNLCZQMRHOMSF-MXWKQRLJSA-N 301.362 -0.414 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(C[C@H]2CCCCO2)C[C@@H]1O 1219611687 FACWYNFBDIZLED-KFWWJZLASA-N 310.394 -0.243 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@@H](NC(C)=O)C2CCCC2)C1 1219973858 WPVBBWLWRQVJRA-ILXRZTDVSA-N 307.394 -0.524 30 20 DBED C=CCCCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCc3nncn3C2)C1 1221058491 SMNLALMSZZFSHH-MJBXVCDLSA-N 319.409 -0.032 30 20 DBED Cc1[nH]nc(C(=O)N(C)C[C@H]2CCN2CC(=O)NCC#N)c1C 1231341817 JNXSFJHLNXYSCK-GFCCVEGCSA-N 318.381 -0.187 30 20 DBED C#CCOCCC(=O)N(C)C[C@H]1CCN1[C@H]1CCN(C)C1=O 1234246590 QUUFHHQXYHLQEH-KGLIPLIRSA-N 307.394 -0.210 30 20 DBED C#CCN1CCN(c2nnc([C@@]3(O)CCSC3)n2C)CC1 1262922677 WZJNEXXILDVFNQ-CQSZACIVSA-N 307.423 -0.105 30 20 DBED C[C@@H](C#N)CN(C)C(=O)C(=O)N1C[C@@H](N)[C@H](c2cnn(C)c2)C1 1326584958 SYDLCSCVUXECBX-WCFLWFBJSA-N 318.381 -0.709 30 20 DBED Cc1ccn(C)c(=O)c1NC(=O)C(=O)N1CC[C@](O)(CC#N)C1 1326832853 PCNBSSYWSKGIFE-OAHLLOKOSA-N 318.333 -0.491 30 20 DBED N#CCNC(=O)CNC(=O)C(=O)Nc1cccc2cccnc12 1326868898 CIFFJNFDYGZBAO-UHFFFAOYSA-N 311.301 -0.071 30 20 DBED C#C[C@@H](NC(=O)C(=O)N1CC[C@@H]2OCC[C@@H]2C1)[C@@H]1CCCO1 1328303286 VYASWZRHYOJCNG-MQYQWHSLSA-N 306.362 -0.079 30 20 DBED N#C[C@]1(F)CCN(C(=O)C(=O)N2CCO[C@H](C(F)F)C2)C1 1329717942 CMRPUXWFTISZSS-QPUJVOFHSA-N 305.256 -0.057 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)Nc1c(C(=O)OC)cnn1C 1330361180 FWQRXZXKLHWRQQ-MRVPVSSYSA-N 310.310 -0.538 30 20 DBED CS/C=C/C(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1 1341905358 ZMDNTHQXUNLZKK-MAHOQKISSA-N 302.377 -0.171 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)C(=O)NCCCN2CCCCC2)C1 1349171292 XHJRRYUQTCEZDC-MRXNPFEDSA-N 322.409 -0.144 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)C(=O)NCCOc2cccnc2)C1 1349212051 NUNXZGOGPFHYFX-OAHLLOKOSA-N 318.333 -0.546 30 20 DBED COC(=O)c1cccn(CC(=O)N2CCO[C@@H](C#N)C2)c1=O 1361761190 LBVSOVZNGXYNPE-JTQLQIEISA-N 305.290 -0.614 30 20 DBED COC(=O)[C@](C)(NC(=O)Cn1cc(C#N)c(O)nc1=O)C1CC1 1361987387 FMLBCXGSADAIOE-CQSZACIVSA-N 320.305 -0.722 30 20 DBED CCOC(=O)[C@@H](F)C1CN(c2[nH]c(=O)n(C)c(=O)c2C#N)C1 1363155306 MZPLFHAOSTYDHM-VIFPVBQESA-N 310.285 -0.717 30 20 DBED N#CC1(C(=O)NCC2(O)CCS(=O)(=O)CC2)CCOCC1 1363205813 NWODTRJEDKQSQY-UHFFFAOYSA-N 316.379 -0.637 30 20 DBED N#Cc1ccc(CNC(=O)NC[C@@]2(O)CCS(=O)(=O)C2)nc1 1364631962 GHRAXWXAOYFUAV-ZDUSSCGKSA-N 324.362 -0.698 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)COc1ccccc1F 1376614378 MTJFQTRYPUFQIU-QWRGUYRKSA-N 323.324 -0.043 30 20 DBED CN(C[C@@H](O)CNC(=O)c1ccc(C#N)[nH]1)C(=O)c1cn[nH]c1 1382933077 UEPYCSANSIVGIZ-NSHDSACASA-N 316.321 -0.528 30 20 DBED C[C@@H](CNC(=O)[C@@H](C)C#N)NC(=O)[C@@H]1Cc2cncn2C(=O)N1 1389475793 XESSEWVFBSIBBJ-QXEWZRGKSA-N 318.337 -0.854 30 20 DBED CC(C)NC(=O)NC(=O)[C@@H](C)N(C)CCNC(=O)[C@H](C)C#N 1390742659 PYLZYGJQEUVRMM-GHMZBOCLSA-N 311.386 -0.183 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1cnn2ccncc12 1392133250 PBXPIPNLGZKRMT-ZJUUUORDSA-N 316.321 -0.904 30 20 DBED C[C@H](CNC(=O)c1c[nH]c(C#N)c1)NC(=O)c1cnc(O)n1C 1392527906 UJGPKWCVHDTHAV-MRVPVSSYSA-N 316.321 -0.126 30 20 DBED C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)Cn1cncn1 1393098995 CLRVJYOLTLQTJN-VIFPVBQESA-N 301.310 -0.587 30 20 DBED N#Cc1ccc(C(=O)NC2(CNC(=O)[C@H]3COC(=O)N3)CC2)[nH]1 1393625080 DRBDEGDYDSXNIU-SNVBAGLBSA-N 317.305 -0.627 30 20 DBED C[C@H](CN(C)C(=O)[C@H]1CCC(=O)N1)NC(=O)c1c[nH]c(C#N)c1 1395543430 JRLBACMAFGAIMR-BXKDBHETSA-N 317.349 -0.258 30 20 DBED CC(C)Cn1cc(C(=O)NC[C@@H](O)CNC(=O)[C@@H](C)C#N)cn1 1399872629 PNHHNPOBKJMNPD-AAEUAGOBSA-N 321.381 -0.094 30 20 DBED C[C@H](C#N)C(=O)NCCN(C(=O)c1cn(C)c(=O)n1C)C1CC1 1408940353 QHRUSPQDPGALON-SNVBAGLBSA-N 319.365 -0.396 30 20 DBED N#CCOc1cccc(CNC(=O)Cn2cnc(C(N)=O)n2)c1 1411964231 KOOZKRLMRGRVBF-UHFFFAOYSA-N 314.305 -0.404 30 20 DBED COC[C@H](OC)C(=O)NCCN(C)C(=O)c1cc(C#N)c[nH]1 1415609132 VZEWXYCNXWTDAZ-LBPRGKRZSA-N 308.338 -0.264 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)CN2CCCCC2=O)CC1 1417196653 GDWOVWXRDRTFKV-NSHDSACASA-N 306.366 -0.076 30 20 DBED Cc1nn(C)cc1[C@@H](C)NC(=O)Cn1cc(C#N)c(O)nc1=O 1417632127 HXQKFADJOFMXCO-MRVPVSSYSA-N 316.321 -0.260 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCNC(=O)CCCS(C)(=O)=O 1429359944 QTBJPUBGXPPBBY-JTQLQIEISA-N 303.384 -0.455 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1cnn(C(F)F)c1 1431570440 MXAXWSSBFPEUDN-IONNQARKSA-N 315.280 -0.355 30 20 DBED C[C@H](C#N)C(=O)NC1CN(C(=O)CS(=O)(=O)C(C)(C)C)C1 1432343085 RWTVFAGVBAEMTG-SECBINFHSA-N 315.395 -0.314 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1coc(CC2CC2)n1 1433334017 GFCRCCLCXURTBZ-ONGXEEELSA-N 320.349 -0.006 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CN(C)C(=O)c1cnc2n1CCC2 1444680589 ULNROIWHHASXTG-WDEREUQCSA-N 319.365 -0.462 30 20 DBED COc1ccnc(C(=O)N(C)C[C@H](O)CNC(=O)[C@@H](C)C#N)c1 1444708350 SZDXZZNGALYLCC-WDEREUQCSA-N 320.349 -0.201 30 20 DBED C[C@H](CNC(=O)c1cnnn1C)NC(=O)c1cc(C#N)c[nH]1 1502091059 ZVVWYVDCGMACNP-MRVPVSSYSA-N 301.310 -0.437 30 20 DBED C#CCN(CC(=O)OC(C)(C)C)C(=O)NC[C@H]1COCCN1 1574636945 ABGHPENTXUSNHM-LBPRGKRZSA-N 311.382 -0.039 30 20 DBED C#CCN(CC(=O)O)C(=O)CN(C)C(=O)[C@H](C)n1cccn1 1588402666 ZUVAYTUZGIOQPD-NSHDSACASA-N 306.322 -0.551 30 20 DBED C=CCCOCC(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)O 1588810365 KZHKDRDDQDEHSQ-SNVBAGLBSA-N 305.352 -0.321 30 20 DBED C[C@@]1(C(=O)O)CCCN1C(=O)CCn1cc(C#N)c(O)nc1=O 1589184467 XGSKEVMVGJMCPV-AWEZNQCLSA-N 320.305 -0.324 30 20 DBED N#Cc1ccc2c(c1)N(C(=O)C(=O)NC[C@H](F)C(=O)O)CC2 1601115618 RNILLOPNYPMXMA-JTQLQIEISA-N 305.265 -0.014 30 20 DBED N#Cc1nc(=N[C@H]2C[C@H](CNC(=O)[C@@H]3C[C@@H]3C(=O)O)C2)cc[nH]1 1601134041 FNWKPTWQOFIVQJ-DBIOUOCHSA-N 315.333 -0.202 30 20 DBED C#CCNC(=O)CN1CCN(c2ncncc2C(=O)O)CC1 1602724877 JQEHURXUPPGHFU-UHFFFAOYSA-N 303.322 -0.954 30 20 DBED C=CCOC[C@H](NS(=O)(=O)c1cncc(C#N)c1)C(=O)O 1609452743 VWXZLKSFCJHSFV-NSHDSACASA-N 311.319 -0.113 30 20 DBED CC(C)(CS(=O)(=O)NCCn1cnc(C#N)n1)C(=O)O 1609678205 WIOKJPYXJYGSFL-UHFFFAOYSA-N 301.328 -0.820 30 20 DBED COCC#CCN1CC2(C[C@@H](NC(=O)[C@H]3CCCN3C)CO2)C1 1733794851 QVCNYIOJFMUKAF-HUUCEWRRSA-N 321.421 -0.310 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H](C)CNC(=O)CCc1cnccn1 1752911919 WTWVADXFCIVNJL-OLZOCXBDSA-N 317.393 -0.359 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC(CNC(=O)[C@H](C)NC(=O)CC)C1 1753402668 AOOJIVSOAVPMKQ-NWDGAFQWSA-N 322.409 -0.913 30 20 DBED C#CCNC[C@H]1[C@H](C)CCCN1C(=O)CS(=O)(=O)N(C)C 1753814347 PRZVMLRRNBFCHR-OLZOCXBDSA-N 315.439 -0.272 30 20 DBED C#CCNC(=O)CNC[C@H]1[C@@H](C)CCCN1C(=O)c1ncc[nH]1 1753818928 NTCKHQRRUJGMQV-STQMWFEESA-N 317.393 -0.011 30 20 DBED C#CCNC(=O)[C@H](C)NC/C=C\CNC(=O)c1nnn(C)c1C 1754105677 OHROJZBNPDQXDR-ZADCQDASSA-N 318.381 -0.863 30 20 DBED C#CCNC(=O)[C@@H](C)NC1(CNC(=O)c2nccn2CC)CC1 1754513132 ILOURPBPMCDBIL-GFCCVEGCSA-N 317.393 -0.107 30 20 DBED C#CCN(C(=O)c1cnnn1CC)C1CCN(CCO)CC1 1754635376 FXACQBPXERVOLR-UHFFFAOYSA-N 305.382 -0.170 30 20 DBED C=CCNC(=O)CN1CC[C@](O)(CNC(=O)C(C)(F)F)C1 1754747158 HBUPAUXWCIMVGO-ZDUSSCGKSA-N 305.325 -0.503 30 20 DBED C=CCNCCN(CCO)C(=O)c1ccc2nc(O)[nH]c2n1 1754890506 TYBPUPUMYSXKOW-UHFFFAOYSA-N 305.338 -0.126 30 20 DBED C#CCNC(=O)CNC1(CNC(=O)c2ccnc(C)n2)CCC1 1754992428 CMYBEHOOBFAAFA-UHFFFAOYSA-N 315.377 -0.223 30 20 DBED C#CCNC(=O)CNC1(CNC(=O)c2ccn(C)n2)CCC1 1754993000 ZHEDZBFLMJGSSB-UHFFFAOYSA-N 303.366 -0.588 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)C1(C(=O)NC)CC1)CCO2 1755061960 WUDIKCISWHONFX-UHFFFAOYSA-N 305.378 -0.551 30 20 DBED Cc1ccc([C@@H](C)C(=O)NC[C@H](CO)NCC(=O)NCC#N)o1 1755640764 PXIOWELDEILJBQ-VXGBXAGGSA-N 322.365 -0.602 30 20 DBED C#Cc1cncc(C(=O)N(C)C[C@@H](O)CNCC(=O)N(C)C)c1 1755788153 MSWQOTOTPRUJFW-AWEZNQCLSA-N 318.377 -0.826 30 20 DBED C#CCOCCC(=O)N1CC([C@@H](C)NC(=O)c2cnn[nH]2)C1 1756148742 PDIVNNAYORKSEF-SNVBAGLBSA-N 305.338 -0.579 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(C(=O)c2cc[nH]c2C)C[C@H]1O 1756992448 YXNAOKNFXHJRRD-IOASZLSFSA-N 321.377 -0.048 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@H](NC(=O)Cn2cncc2C)C1 1757192750 HKQHUQAIYYRJFV-OLZOCXBDSA-N 306.366 -0.154 30 20 DBED CCN(CCC#N)S(=O)(=O)N(CCOC)CCC(=O)O 1776863600 BDXAISJJBNBSRN-UHFFFAOYSA-N 307.372 -0.110 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cnc(O)[nH]1)CCO2 1783055295 WCCOXKKTGLZDMV-AWEZNQCLSA-N 304.306 -0.808 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(O)n1)C2 1800451148 OSHQVWIHJGHHLE-QHBPRCKVSA-N 315.329 -0.376 30 20 DBED C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1C(=O)C=CC1=O)C2 1801600460 VBXHQYXESLFNNS-ZSBIGDGJSA-N 315.329 -0.817 30 20 DBED CCn1cc(C#N)c(=O)n(CC(=O)N[C@](C)(C#N)C2CC2)c1=O 10852284 QYJVCKZSEBKBCU-OAHLLOKOSA-N 315.333 -0.290 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(Cc2nc(COC)no2)CC1 189620618 HDDODAHGSZXRAJ-GFCCVEGCSA-N 321.381 -0.529 30 20 DBED Cc1nn(C)c(C)c1CNc1c(C#N)c(=O)n(C)c(=O)n1C 194976189 KYUYFXXMLMIXCT-UHFFFAOYSA-N 302.338 -0.082 30 20 DBED COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)N1CCO[C@@H](C#N)C1 234606632 MBJKSSYSMXHSPZ-HBNTYKKESA-N 302.352 -0.118 30 20 DBED C#CCOc1cccc(NC(=O)C(=O)N[C@H]2CC(=O)N(C)C2)c1 267375287 MYNCWCXSLKUYNC-LBPRGKRZSA-N 315.329 -0.016 30 20 DBED Cc1cc(NC(=O)Cn2ccc(=O)n(C)c2=O)nn1CCC#N 271146483 RSOOHYMJHMZLQW-UHFFFAOYSA-N 316.321 -0.396 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)NCCCN1C(=O)CCC1=O 282799070 YEHBNWQOGHLFBI-SNVBAGLBSA-N 316.383 -0.549 30 20 DBED COc1ccc(N/C(O)=N/[C@H](C)C(=O)N2CCOCC2)nn1 329120144 KATIIDARWCQDNG-SECBINFHSA-N 309.326 0.058 30 20 DBED C[C@@H](/N=C(/O)CN1CCN(S(C)(=O)=O)CC1)c1nc[nH]n1 329232741 GGHFOIDASJSKQW-SECBINFHSA-N 316.387 -0.601 30 20 DBED CCN(CC)C(=O)CN1CCN(C(=O)CN/C(O)=N/C)CC1 330498830 DLUPFYFBESCETP-UHFFFAOYSA-N 313.402 -0.868 30 20 DBED CCN1CCN(C(=O)[C@@H](C)N(C)CC/N=C(/O)N(C)C)CC1 330615422 CKJXYKJTSQVNTH-CYBMUJFWSA-N 313.446 -0.054 30 20 DBED C[C@H]1CN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CC(C)(C)O1 336913120 JWIGBFGVERBVKC-QWRGUYRKSA-N 303.384 -0.045 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@@](C)(O)CN(C)C 336942232 KJSRMWGEEMLPLB-NWDGAFQWSA-N 306.432 -0.385 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1CC[C@](C)(C(N)=O)C1 337154051 MMGUYXPHSJLLRF-LBPRGKRZSA-N 318.399 -0.709 30 20 DBED C=CCNC(=O)CN1CCC(n2cnc(C(N)=O)c2N)CC1 340215508 IATHAEZUSQHPND-UHFFFAOYSA-N 306.370 -0.497 30 20 DBED COC[C@@H](NC(=O)NCCn1cnc(C#N)n1)[C@@H]1CCCO1 346320314 MKKUVKGTNURMHP-MNOVXSKESA-N 308.342 -0.357 30 20 DBED N#Cc1ccc(S(=O)(=O)N[C@H](CO)C(N)=O)c(Cl)c1 352595654 BLYXJWXPGMSLGF-MRVPVSSYSA-N 303.727 -0.664 30 20 DBED CC(C)OCCS(=O)(=O)NCC(=O)N(C)C[C@H](C)C#N 357422094 IWFKDOOMZJRMNP-LLVKDONJSA-N 305.400 -0.051 30 20 DBED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2C[C@H](C)[C@@H](CO)C2)n1 362031218 YWBBQMPXCHDCCD-CMPLNLGQSA-N 319.365 0.361 30 20 DBED CC[C@@H](NC(=O)N1CCO[C@H](C#N)C1)C(=O)N1CCOCC1 408419943 QCVIXHDBTZJKNF-VXGBXAGGSA-N 310.354 -0.442 30 20 DBED C=CCCn1cc(C(=O)N2CCN(CC(=O)OC)CC2)nn1 424776447 QWCDTMOMOWVPJA-UHFFFAOYSA-N 307.354 -0.215 30 20 DBED CN(C)CCCN(CCC#N)C(=O)C(=O)Nc1ccn(C)n1 438749967 FFNYMWFPPJGHOD-UHFFFAOYSA-N 306.370 0.053 30 20 DBED N#Cc1cc(F)ccc1S(=O)(=O)NCCC(=O)NC(N)=O 443483609 BRFJROHNYQVRMS-UHFFFAOYSA-N 314.298 -0.439 30 20 DBED C#CCNC(=O)C1CCN(S(=O)(=O)[C@H]2CCOC2)CC1 491153728 CQUYDCUGWPTZCO-LBPRGKRZSA-N 300.380 -0.434 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)NC[C@@](C)(CC(=O)O)C(=O)O 521052416 VSABOOVXDFEZAL-GZMMTYOYSA-N 321.355 -0.522 30 20 DBED CN(CCC#N)S(=O)(=O)N1C[C@H](CN)C2(CCOCC2)C1 571880885 JJUXPBNOXHMLKM-LBPRGKRZSA-N 316.427 -0.236 30 20 DBED C[C@H](CNS(=O)(=O)c1cncc(C#N)c1)S(C)(=O)=O 575611739 GKLVPEBZPKIFCE-MRVPVSSYSA-N 303.365 -0.335 30 20 DBED Cc1ccn(C)c(=O)c1NC(=O)NCCn1cnc(C#N)n1 588262040 VXPCOSULZMPWBF-UHFFFAOYSA-N 301.310 -0.021 30 20 DBED CN(CCC#N)C[C@H](O)CNCC(C)(C)NS(C)(=O)=O 591735591 QHUZEQTUVXHFJV-LLVKDONJSA-N 306.432 -0.890 30 20 DBED CCN1C[C@H](CNS(=O)(=O)N(CC)CCC#N)CC1=O 593641774 RZNHODAMYVNRAZ-NSHDSACASA-N 302.400 -0.075 30 20 DBED N#C[C@@]1(NC(=O)[C@H]2CCCN(S(N)(=O)=O)C2)CCSC1 597036385 QSYOMIYHGMKWSI-ONGXEEELSA-N 318.424 -0.583 30 20 DBED CCC[C@H](C#N)NC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 609170471 SDUKLZQHSLVVGC-ZIAGYGMSSA-N 322.409 -0.024 30 20 DBED N#Cc1ccc(N2CCN(C(=O)C3(NC(N)=O)CC3)CC2)nc1 611243158 ZZCHHWVVSMKLOO-UHFFFAOYSA-N 314.349 -0.197 30 20 DBED N#CCN1CCC(NC(=O)c2ccc(-c3nn[nH]n3)nc2)CC1 737695710 LZIKJKOVBDYQNB-UHFFFAOYSA-N 312.337 -0.021 30 20 DBED N#CCN(CC(=O)O)C(=O)Cn1c(=O)cnc2ccccc21 739078344 FOKUIZRUYCSDQK-UHFFFAOYSA-N 300.274 -0.167 30 20 DBED Cn1cc(C#N)c(NC(=O)NCCOCCS(C)(=O)=O)n1 750613965 UNMQYABYYDLYGT-UHFFFAOYSA-N 315.355 -0.526 30 20 DBED CS(=O)(=O)NN=C1C(=O)Nc2cc(N3CCOCC3)ccc21 764702259 VSLJFYGYVUDSBQ-UHFFFAOYSA-N 324.362 -0.271 30 20 DBED C#CCCN(CC(F)(F)F)C(=O)Cn1ccc(=O)n(C)c1=O 767166563 MHGVKLICIQGJDV-UHFFFAOYSA-N 317.267 -0.039 30 20 DBED CC(C)CC=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 771893200 XTMJLJKQCXQBAA-UHFFFAOYSA-N 302.356 -0.606 30 20 DBED C[C@@](O)(CNC(=O)NCC(=O)NCC#N)c1ccc(F)cc1 807554833 MXWFFJHPXQINFD-CQSZACIVSA-N 308.313 -0.028 30 20 DBED C#CC[C@@H](CO)NC(=O)Cc1cccc(OCC(=O)NC)c1 820059398 DLGXUPWWWJQTEY-ZDUSSCGKSA-N 304.346 -0.146 30 20 DBED C=C(C)CONC(=O)NCCN1CCN(S(C)(=O)=O)CC1 845596544 YFPRHUVYAOIDOA-UHFFFAOYSA-N 320.415 -0.630 30 20 DBED C#CC[C@H](NC(=O)Cn1nc2n(c1=O)CCCC2)C(=O)OC 846259068 UZXTVIYFPRATPU-JTQLQIEISA-N 306.322 -0.938 30 20 DBED C#CCSCCNS(=O)(=O)CCCN1CCN(C)CC1 866853034 OLEFOKOLETXNQJ-UHFFFAOYSA-N 319.496 -0.090 30 20 DBED C#CC1(O)CN(C(=O)[C@@H](Cc2cnc[nH]2)NC(=O)CC(C)C)C1 890525599 BGXTYZJLRUIMAW-CYBMUJFWSA-N 318.377 -0.310 30 20 DBED C#CC1(O)CN(C(=O)NC2CCC(CS(C)(=O)=O)CC2)C1 895079381 GXXDRZHDZFXWBD-UHFFFAOYSA-N 314.407 -0.021 30 20 DBED CN1CCN(C(=O)CNS(=O)(=O)CC2(CC#N)CC2)CC1 920535842 UZSXCUSEVKJTCA-UHFFFAOYSA-N 314.411 -0.626 30 20 DBED C=CCCn1cc(C(=O)N[C@H]2CCN(C(=O)COC)C2)nn1 938020913 CLRYKVPMBKUOJE-NSHDSACASA-N 307.354 -0.169 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCN(C(=O)c3cnn[nH]3)C2)nn1 940507174 RTZXSWVHPBEKJT-SECBINFHSA-N 316.325 -0.773 30 20 DBED C#CCN1CC[C@@H](NC(=O)CN2CCCS2(=O)=O)[C@@H](C)C1 942106263 NAYKJLBBZSRWRP-QWHCGFSZSA-N 313.423 -0.518 30 20 DBED C=CCCN1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C[C@H]1C 947323825 NEEQJFVKSZQXQK-NEPJUHHUSA-N 320.397 -0.078 30 20 DBED NC(=O)[C@@H]1C[C@@H]1C(=O)NCC1CCN(C(=O)C#CC2CC2)CC1 948920617 DUMFEVMZZLLSJO-KGLIPLIRSA-N 317.389 -0.124 30 20 DBED CC#CCN1CCC2(CC1)CN(C(=O)Cn1cnnn1)CCO2 949021217 JTYAWXVRTVPUHL-UHFFFAOYSA-N 318.381 -0.610 30 20 DBED N#Cc1cc(C(=O)NC[C@@H]2CCN2C(=O)[C@@H]2COCCO2)c[nH]1 949485955 QRFSKHZOFOAOBT-STQMWFEESA-N 318.333 -0.368 30 20 DBED CN(C(=O)CN1C(=O)CCC1=O)C1CN(C(=O)C#CC2CC2)C1 954250771 CNSPOAUUCDNEPZ-UHFFFAOYSA-N 317.345 -0.782 30 20 DBED C[C@H](C#N)C(=O)N1CC(N(C)C(=O)[C@H]2CCC(=O)N(C)C2)C1 954503518 AKNHBKWWAJBEAN-MNOVXSKESA-N 306.366 -0.316 30 20 DBED C[C@@]1(NC(=O)[C@H]2C[C@H]2C(N)=O)CCN(C(=O)C#CC2CC2)C1 957615681 APWFHCXHXMLHGP-BFQNTYOBSA-N 303.362 -0.372 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](CNC(=O)c2cnn(C)c2N)C1 957995993 QHLBEAYKEMGDEL-DGCLKSJQSA-N 307.398 -0.009 30 20 DBED CC#CCN1C[C@H](O)[C@H](CNC(=O)c2cc(COC)on2)C1 958458022 GWPATWXWVULJAG-RISCZKNCSA-N 307.350 -0.133 30 20 DBED CC#CCN1C[C@H](O)[C@H](CNC(=O)c2cnn3cc[nH]c23)C1 958619355 ROYUBSVOFROMTP-YPMHNXCESA-N 301.350 -0.292 30 20 DBED C=CCCN1C[C@@H]2C(NC(=O)Cn3ccc(=O)n(C)c3=O)[C@H]2C1 960177008 UCBVHPSPJKQIGM-RYUDHWBXSA-N 318.377 -0.831 30 20 DBED C=CCN1C[C@@H]2C(NC(=O)[C@H]3C[C@H](OC)CN3C(C)=O)[C@H]2C1 961360769 SKOKTJMHZBIGDN-XDQVBPFNSA-N 307.394 -0.145 30 20 DBED C=C(C)CN1C[C@H]2[C@H](NC(=O)c3cn(C)c(=O)n(C)c3=O)[C@H]2C1 961934554 UYVZPOOLJPIIKH-PJXYFTJBSA-N 318.377 -0.680 30 20 DBED Cc1nc(O)nc(O)c1CC(=O)NC1[C@H]2CN(CC#N)C[C@H]12 962130389 MZLOMIQZFIYFCS-UWVGGRQHSA-N 303.322 -0.691 30 20 DBED Cc1cn(C)nc1C(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1O 962881295 TZJFGDHUAKUDST-GDPRMGEGSA-N 305.338 -0.810 30 20 DBED CCn1cccc1C(=O)N[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1O 963615195 MKRWJNNMKUPYJU-WZRBSPASSA-N 304.350 -0.031 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)c1cnns1 964104817 DMQAXORNHNGPJQ-DTWKUNHWSA-N 309.351 -0.345 30 20 DBED C[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1NC(=O)c1nc[nH]n1 966328964 AFDIUTFADPWNQG-GZMMTYOYSA-N 313.321 -0.105 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)Cn3cnnc3O)C[C@H]21 974976305 UVNTWGIKBBMWOO-HBNTYKKESA-N 318.337 -0.797 30 20 DBED C#CCN1C[C@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)C(C)(C)C1 977419221 LCYHTICKFZEYEM-NSHDSACASA-N 320.393 -0.223 30 20 DBED C#Cc1cncc(C(=O)NCC2[C@@H]3CN(CC(=O)NC)C[C@@H]23)c1 978694926 FQUDULLWQXWYTQ-GJZGRUSLSA-N 312.373 -0.284 30 20 DBED C#CCN(C)[C@@H]1CCN(C(=O)C[C@]2(C)CCS(=O)(=O)N2)C1 980262117 DMBSDFOPIZRXLX-OCCSQVGLSA-N 313.423 -0.376 30 20 DBED C=CCN[C@H]1C[C@H](C)N(C(=O)Cn2ccc(=O)n(C)c2=O)C1 988926082 FFGPCVTWCMLBRN-RYUDHWBXSA-N 306.366 -0.688 30 20 DBED C#CCN[C@@H]1C[C@H](C)N(C(=O)Cc2c(C)nc(O)nc2O)C1 989595299 BBLXOJHTBOAFEX-GXSJLCMTSA-N 304.350 -0.049 30 20 DBED CCC(=O)N1CCN(C(=O)[C@@H](C)C#N)[C@@H]2CS(=O)(=O)C[C@@H]21 995448761 BWUGVGNWVORLEB-GARJFASQSA-N 313.379 -0.608 30 20 DBED C#Cc1ccccc1CC(=O)N1CC(NC(=O)c2cnn(C)n2)C1 995694682 OIJSAYOJFXJMET-UHFFFAOYSA-N 323.356 -0.020 30 20 DBED C#CCNC1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)CC1 997096261 IFKXIUOIRJTRIT-UHFFFAOYSA-N 304.350 -0.860 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@H]1CN2C(=O)Cn1cncn1 1007498299 CDQSDLUNTJWRGG-TUAOUCFPSA-N 302.338 -0.360 30 20 DBED COCCn1nc(C(=O)N[C@H]2CCCN(CC#N)C2)ccc1=O 1007846981 SXKRICLAEWSXMY-LBPRGKRZSA-N 319.365 -0.393 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](CNC(=O)[C@@H]3[C@H]4COC[C@H]43)[C@H]2C1 1009389216 BYTNLGFEWDJPTQ-ISCIKXKRSA-N 303.362 -0.141 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C(=O)Cn2cc(C3CC3)nn2)CC1 1011261288 ALAAUNFJIFSNNO-NSHDSACASA-N 316.365 -0.014 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCN(C(=O)Cc3nc[nH]n3)C2)C1 1019365326 YVHWEXHZKZYPIU-SNVBAGLBSA-N 302.338 -0.432 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CCN(C(=O)Cn3cncn3)[C@@H]2C1 1022765169 TWAWHLPGJXAMRQ-GRYCIOLGSA-N 302.338 -0.503 30 20 DBED C#CCN[C@@H]1CC[C@H]2CN(C(=O)CN3CCOCC3=O)C[C@@H]21 1026284522 BXUQBLDWIJTYLF-MELADBBJSA-N 305.378 -0.695 30 20 DBED C#CCN[C@@H]1CC[C@@H]2CN(C(=O)CCN3C(=O)CCC3=O)C[C@H]21 1026305687 CXUFCYCFEUIJHN-MGPQQGTHSA-N 317.389 -0.015 30 20 DBED C#CCCN1[C@H]2CC[C@H]1CN(C(=O)c1nnc(O)nc1O)C2 1029380016 JILAZIZFPZBZJQ-UWVGGRQHSA-N 303.322 -0.405 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN([C@@H]2CCN(CC)C2=O)C1 1030978819 WAVCCXCOAUIPHJ-MCIONIFRSA-N 307.394 -0.001 30 20 DBED C=CCn1cc(C(=O)NC2CN(Cc3cnns3)C2)nn1 1031071021 CMAOTTHDGRZJGN-UHFFFAOYSA-N 305.367 -0.070 30 20 DBED N#Cc1ccc(CN2CC(CNC(=O)[C@@H]3CNC(=O)N3)C2)s1 1031944846 GSJJHTDJZHPXSU-LBPRGKRZSA-N 319.390 -0.151 30 20 DBED N#CCN1CCCC[C@@H](NC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 1034321004 BZAIFUDVWALCIH-YPMHNXCESA-N 316.365 -0.140 30 20 DBED COCCn1cc(C(=O)N2CC[C@H](NCC#N)[C@H](C)C2)nn1 1036023480 SYRHCEXTXWZHCO-NEPJUHHUSA-N 306.370 -0.112 30 20 DBED C#CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)c1nc(O)nc(O)c1OC 1037675528 VEPJBYRHPZTUGV-VGMNWLOBSA-N 304.306 -0.668 30 20 DBED C#CCN1CCC(C(=O)NC[C@H]2CCN2[C@H](C)C(=O)NC)CC1 1039042214 NPHGFDHWPNTROL-UKRRQHHQSA-N 320.437 -0.343 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)Cc2ccnn2C)C1 1039585273 PRQSNLCVFZKSGE-ABAIWWIYSA-N 319.365 -0.798 30 20 DBED C=CCCC(=O)N1CC[C@](O)(CNC(=O)c2ncn(C)n2)C1 1039619748 PJBMNVMHJNHLEI-AWEZNQCLSA-N 307.354 -0.526 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)CCCN(C)C)C1 1040720862 MMZSJDOFJYIVHD-DOMZBBRYSA-N 310.398 -0.433 30 20 DBED C[C@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)c2c[nH]c(C#N)c2)C1 1040763895 SLKYUPDQYKALRB-MEBBXXQBSA-N 315.333 -0.261 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)c2cnc(C)cn2)C1 1041280596 SDIRSPMZKIQJGZ-UHFFFAOYSA-N 316.361 -0.108 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(O)(CNC(=O)CCSC)C1 1041372614 GKTSVFSLCYXTJO-ZDUSSCGKSA-N 316.423 -0.244 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(O)CN(C(=O)[C@H]2CC23CC3)C1 1042812488 PDSJLXRNBOWPJB-BXUZGUMPSA-N 308.378 -0.197 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)c2cnn(C)c2)C1 1042936955 VMNFVEYNLWJWKJ-UHFFFAOYSA-N 304.350 -0.617 30 20 DBED C=CCCCC(=O)N1CC(O)(CNC(=O)[C@H]2CC(=O)N(C)C2)C1 1043410029 OSHZEHQTLFVYSF-LBPRGKRZSA-N 323.393 -0.490 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)[C@H]2CCCC(=O)N2)C1 1043511763 RDPYZJBUGTUCHF-LLVKDONJSA-N 323.393 -0.443 30 20 DBED C=CCCOCC(=O)NCC1(O)CN(C(=O)c2oncc2C)C1 1043567727 FDEDSZZRBFKWFH-UHFFFAOYSA-N 323.349 -0.121 30 20 DBED CC(C)(C)C#CC(=O)N1CC(O)(CNC(=O)c2cnn[nH]2)C1 1043809828 LPKQUBIZNCLQPV-UHFFFAOYSA-N 305.338 -0.843 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)[C@@]23CCC[C@@H]2C3)C1 1044602993 MHZWLGDAYMKSED-OGHNNQOOSA-N 320.389 -0.096 30 20 DBED C=CCCCC(=O)NCC1(O)CN(C(=O)c2cnnc(O)c2)C1 1045458570 GDSVMUJBGSYCDF-UHFFFAOYSA-N 320.349 -0.158 30 20 DBED C=CCCCC(=O)NCC1(O)CN(C(=O)c2cnc(O)n2C)C1 1045462753 OEDNIOGNQDLDCY-UHFFFAOYSA-N 322.365 -0.215 30 20 DBED C#CCN1CC[C@H](N2CCN(C(=O)c3cnn(C)n3)CC2)C1 1046070101 PITPBTDJJZSHIR-ZDUSSCGKSA-N 302.382 -0.720 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1C[C@@H](CNC(=O)[C@H]2CCC(=O)N2)C1 1046297602 CMPBZAGBQHETDE-SCDSUCTJSA-N 313.361 -0.040 30 20 DBED N#CCN1CCC(F)(F)[C@H](CNC(=O)[C@H]2CNC(=O)N2)C1 1046968417 GFPBXKBRWSPEKN-RKDXNWHRSA-N 301.297 -0.735 30 20 DBED CC[C@@H](NC(C)=O)C(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1047081163 UVNDLSAOKFFZFH-CYBMUJFWSA-N 321.377 -0.996 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccnn2CCOC)C1 1047422497 VRWYGFPDOVHIOA-GJZGRUSLSA-N 320.393 -0.330 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2ccon2)C1 1048378174 NWTMUAZVUFQWQB-DRZSPHRISA-N 321.333 -0.643 30 20 DBED C=C[C@](C)(O)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)OC)C1 1048413801 GHAFFEOAYKYXNK-ASHKBJFXSA-N 314.382 -0.622 30 20 DBED C=CCCC(=O)N(C)[C@H]1CN(C(=O)C[C@@H]2CCC(=O)N2)C[C@@H]1O 1048523601 PWKZOMIUAJNDJW-AVGNSLFASA-N 323.393 -0.349 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC2(F)F)C1 1048789075 BXRDDSCYLNLRPH-DCAQKATOSA-N 318.320 -0.126 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cc2ccc[nH]2)C1 1048927284 AHLVFDZBMHODSS-KBPBESRZSA-N 321.377 -0.210 30 20 DBED C#CCCN1CC[C@H]2[C@H]1CCCN2C(=O)CN1CCNC(=O)C1 1049639311 OSWORMODDITZRE-CABCVRRESA-N 318.421 -0.493 30 20 DBED C=C(Cl)CN1CCOC[C@H]1CNC(=O)[C@H]1COC(=O)N1 1050901654 CKUKUFMQNILFQM-NXEZZACHSA-N 303.746 -0.336 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)[C@@H]1CCc2n[nH]cc2C1 1051203747 JSWAZFDSICTREI-TZMCWYRMSA-N 302.378 -0.035 30 20 DBED N#Cc1ccc(N2CC[C@@H](NC(=O)c3cnon3)[C@@H](O)C2)cn1 1051716909 BZULPFVMHCGHRV-YPMHNXCESA-N 314.305 -0.294 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)[C@H]1CCCC(=O)N1C)CCO2 1053520823 MRMDIEQVKVTELH-CQSZACIVSA-N 319.405 -0.066 30 20 DBED C#CCN1CC2(CC[C@@H](CNC(=O)[C@@H]3CCC(=O)NC3)O2)C1 1053620266 JBHCDDRUABIQER-OLZOCXBDSA-N 305.378 -0.505 30 20 DBED Cc1cc(=O)c(C(=O)N[C@H]2COC3(C2)CN(CC#N)C3)cn1C 1053836691 YNPYZHMTASKQAY-GFCCVEGCSA-N 316.361 -0.210 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1COC2(C1)CN(CC(N)=O)C2 1053954127 JDVWZIDQYRFBTD-DYEKYZERSA-N 323.393 -0.588 30 20 DBED Cc1nn(C)c(=O)c(C(=O)N2C[C@@H](C)[C@@H](NCC#N)C2)c1C 1054960004 PWRHAIKZRYHUFB-SKDRFNHKSA-N 303.366 -0.029 30 20 DBED Cn1ncc(C(=O)N[C@H]2[C@@H]3CN(c4cnc(C#N)cn4)C[C@@H]32)n1 1056257914 VFORGESDTYACKG-IWIIMEHWSA-N 310.321 -0.659 30 20 DBED N#Cc1cc(C(=O)NCCN(CCO)C(=O)c2ccon2)c[nH]1 1057093318 AGLOCZBAPOAERT-UHFFFAOYSA-N 317.305 -0.261 30 20 DBED C=CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)C[C@@H](C)OC 1057163232 MQSGTQZGPXURJO-OLZOCXBDSA-N 316.398 -0.060 30 20 DBED N#Cc1ccc(C(=O)N(CCO)CCNC(=O)C#CC2CC2)[nH]1 1057367026 MKBNKRDTSMOYMN-UHFFFAOYSA-N 314.345 -0.150 30 20 DBED Cc1nc(CC(=O)NCCN(CCO)C(=O)C#CC(C)C)n[nH]1 1057517254 NECNFPNJRBDRDG-UHFFFAOYSA-N 321.381 -0.748 30 20 DBED C=CCCCC(=O)NCCN(CCO)C(=O)[C@@H]1CCNC1=O 1058298471 DVUKJTFCRZZPSO-GFCCVEGCSA-N 311.382 -0.584 30 20 DBED Cn1ncc(C(=O)N[C@@H]2CCN(c3nccnc3C#N)C2)c1N 1058343589 CNMAUJOLGVFJMC-SECBINFHSA-N 312.337 -0.327 30 20 DBED C=C[C@@](C)(CC)C(=O)NCCN(CCO)C(=O)c1nc[nH]n1 1058380885 RHKMSBXVMZBNCF-AWEZNQCLSA-N 309.370 -0.042 30 20 DBED C=C[C@@H](C)[C@H](C)C(=O)N(CCO)CCNC(=O)c1nc[nH]n1 1058435654 ONYLKVPTIVHDEY-MNOVXSKESA-N 309.370 -0.186 30 20 DBED C=C(C)C[C@@H](C)C(=O)N(CCO)CCNC(=O)Cc1nc[nH]n1 1058464620 YZWHMBQOUUZYKZ-GFCCVEGCSA-N 323.397 -0.113 30 20 DBED C=C[C@](C)(CC)C(=O)N(CCO)CCNC(=O)c1cn(C)nn1 1058728339 QATOLVAADCGSLQ-OAHLLOKOSA-N 323.397 -0.032 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](CCNC(=O)[C@H](C)C#N)C1 1059501819 DIPCEEQRGGXKFD-CHWSQXEVSA-N 318.377 -0.360 30 20 DBED C#CCCCC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1CCC(=O)N1 1061537948 GYHYNHYJVWBWIR-STQMWFEESA-N 321.377 -0.588 30 20 DBED C[C@H](CC(N)=O)C(=O)NC[C@H]1COCCN1C(=O)C#CC1CC1 1061749958 OLLGCWKSPHAHAW-YPMHNXCESA-N 321.377 -0.745 30 20 DBED N#Cc1cnc(N2CCO[C@H](CNC(=O)c3nc[nH]n3)C2)cn1 1063640165 YFRGRMBNXVKNOL-SNVBAGLBSA-N 314.309 -0.898 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CN(C(=O)Cc2ncc[nH]2)CCO1 1065521200 LCPYRZZFEPMQBZ-QWRGUYRKSA-N 305.338 -0.545 30 20 DBED C=CCCCC(=O)N1CCO[C@H](CNC(=O)C2(C(N)=O)CC2)C1 1065544929 DEMUJKRDJXCDQI-GFCCVEGCSA-N 323.393 -0.048 30 20 DBED C[C@@H](Nc1ccc(C#N)nn1)[C@H]1CCN(C(=O)CC(N)=O)C1 1065683602 CKKYSWMASLUHFW-ZJUUUORDSA-N 302.338 -0.127 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCC[C@@H](NC(=O)CC(N)=O)CC1 1066014473 JFANUDALEMCTKM-NWDGAFQWSA-N 311.382 -0.050 30 20 DBED N#Cc1nccc(N2C[C@@H]3CCCN(C(=O)C(N)=O)[C@@H]3C2)n1 1066244752 DEEQEXAJDPXLEZ-VHSXEESVSA-N 300.322 -0.739 30 20 DBED Cn1cc(C(=O)N2C[C@H]3CC[C@H]2CN3c2cnc(C#N)cn2)nn1 1068041860 JANZYLZVTXKGQH-NEPJUHHUSA-N 324.348 -0.030 30 20 DBED C=C(C)C[C@@H](C)C(=O)N1CCOC2(CN(C(=O)CC(N)=O)C2)C1 1068435362 RMFOGOGGCXQLRG-GFCCVEGCSA-N 323.393 -0.096 30 20 DBED C=CCOCC(=O)N1CC2(C1)CN(C(=O)[C@H](C)C#N)CCO2 1068450905 BADUNANDOBZRRP-GFCCVEGCSA-N 307.350 -0.212 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CCC2(CN(C(=O)c3cnn[nH]3)C2)O1 1068619880 DBUCNLDMJPJYPN-VHSXEESVSA-N 318.337 -0.546 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)Cc2ccon2)C1 1069904047 FCSFGPIQMUYDTQ-OLZOCXBDSA-N 300.322 -0.517 30 20 DBED CC#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2cncn2C)C1 1069971967 RIUOTCMODIMJDD-OCCSQVGLSA-N 313.365 -0.310 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)[C@H]2CCCC(=O)N2)CC1 1070972962 VWVDYFGSENFNPI-CYBMUJFWSA-N 322.409 -0.508 30 20 DBED C=CCN1CC[C@@]2(C1)CN(C(=O)Cn1cnnc1O)C[C@@H](C)O2 1071149439 MIGDHTDBWVAYDF-IUODEOHRSA-N 321.381 -0.139 30 20 DBED C=CCCOCC(=O)N1C[C@H](C)[C@H](NC(=O)CC(=O)NC)C1 1072334098 WSVRIFNKVCDCST-NWDGAFQWSA-N 311.382 -0.322 30 20 DBED CNC(=O)CN1CCCO[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 1073577217 SALMOQGAYKYEFA-CYBMUJFWSA-N 319.365 -0.547 30 20 DBED C#CCCN1CCO[C@H]2CCN(C(=O)c3nccnc3N)C[C@H]21 1074195636 XXBMJPBBQVSMBH-OLZOCXBDSA-N 315.377 -0.003 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CCN(C(=O)COC)CC1 1074418733 WZVRNXINORTERX-LBPRGKRZSA-N 312.366 -0.859 30 20 DBED Cc1ncc(C(=O)N2CCC(O)(CNC(=O)[C@@H](C)C#N)CC2)[nH]1 1074518528 LRQPIIDDLHTPCF-JTQLQIEISA-N 319.365 -0.039 30 20 DBED C=CCOCC(=O)N[C@@H](C)CCNC(=O)[C@@H]1CN(C)CCO1 1076026964 AUHFTAZTDRAEDT-STQMWFEESA-N 313.398 -0.469 30 20 DBED C[C@@H](CCNC(=O)[C@@H]1COC(=O)N1)NC(=O)c1cc(C#N)c[nH]1 1076344445 NBSYMPGPESKDQK-KWQFWETISA-N 319.321 -0.381 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)N2C(=O)CCC2=O)C1 1077087712 QWKBLMMURKZDTG-IJLUTSLNSA-N 309.366 -0.739 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN2c2ncccn2)C1 1077164402 MSUQQPKXARVAMV-HZSPNIEDSA-N 315.377 -0.760 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CN(C(C)C)CCO2)C1 1077566683 KOVPTCUGWKNEFJ-KFWWJZLASA-N 309.410 -0.720 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CCCN(C(=O)c2nnn(C)n2)CC1 1079058587 GREROGRDRGXCQB-MNOVXSKESA-N 319.369 -0.177 30 20 DBED C=C[C@](C)(O)CC(=O)N(CC)C1CN(C(=O)c2cnn(C)n2)C1 1079684757 QMLACQFKVJUSNQ-HNNXBMFYSA-N 321.381 -0.185 30 20 DBED CCN(C(=O)C#CC(C)C)C1CN(C(=O)Cn2cnnn2)C1 1079724494 PGAQFGYTVVUOQU-UHFFFAOYSA-N 304.354 -0.608 30 20 DBED CCN(C(=O)[C@]1(C)CNC(=O)C1)C1CN(C(=O)[C@H](C)C#N)C1 1080121609 HTRUUKQTEZIONX-BMIGLBTASA-N 306.366 -0.268 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CO)(NC(=O)c2cnn(C)c2)CC1 1080713119 OCYWRFKINWNLBP-LLVKDONJSA-N 319.365 -0.337 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)COCC=C)C[C@H]1O 1081442208 RWUDVNKUPJHWOM-UONOGXRCSA-N 308.378 -0.072 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)Cc2nnc(C)o2)C1 1081454605 BZUPUJGUOXYSAS-NWDGAFQWSA-N 322.365 -0.178 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(C(=O)c2cc[nH]c2)C[C@H]1O 1081475319 ZORBCYLHOHHJKM-UONOGXRCSA-N 301.346 -0.023 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)Cc2cnc[nH]2)C1 1081800921 WWRZTSBKXJBQAY-WCQYABFASA-N 322.365 -0.910 30 20 DBED C[C@@H](C#N)C(=O)N1CCCC[C@H]1CNC(=O)C1(NC(N)=O)CC1 1082267302 MGBNBZNQRQZPEE-QWRGUYRKSA-N 321.381 -0.156 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cc(=O)c(OC)co1 1083143674 VBDOTFTYYRHLOD-SMDDNHRTSA-N 318.329 -0.193 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1C[C@H]1C(=O)N(C)C 1083194450 OWLBFNOIPGKKKD-CBBWQLFWSA-N 319.405 -0.354 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCS(=O)(=O)C2)C1 1083618095 QALGQGZQAZCMRI-XQQFMLRXSA-N 316.423 -0.451 30 20 DBED C=CCN1CC[C@@H]2CN(C(=O)CN3CCN(C)C(=O)C3)C[C@@H]2C1 1088019169 ZLAJNDLXTFAHMF-CABCVRRESA-N 320.437 -0.273 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)[C@@H]3CN(C(C)=O)CCO3)C[C@@H]2C1 1088187300 PLUVGPNDRDSSPG-PMPSAXMXSA-N 319.405 -0.353 30 20 DBED N#CCN1C[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)CC2(CCOCC2)C1 1089959922 UMTRCACIWLKMFN-XQQFMLRXSA-N 320.393 -0.381 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2ccc3c(c2)NC(=O)C3)[C@@H](O)C1 1090278132 BCOMKGUTOLRVLP-HIFRSBDPSA-N 313.357 -0.021 30 20 DBED COC[C@H](C)C(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1O 1090387822 NVGMMPLPBMVRRN-MVWJERBFSA-N 305.338 -0.704 30 20 DBED C=C(C)CCN1CC[C@H](NC(=O)CN2C(=O)CNC2=O)[C@H](O)C1 1090793714 LMQJOKSQUGTMNI-NWDGAFQWSA-N 324.381 -0.944 30 20 DBED C#CCN1CC[C@H](NC(=O)Cc2nc(C3CC3)nn2C)[C@H](O)C1 1090823722 LNSKRZXXGYRGGB-QWHCGFSZSA-N 317.393 -0.580 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2ccc(C(N)=O)cn2)[C@H](O)C1 1090843037 FWGXBLRYPZJQKW-TZMCWYRMSA-N 316.361 -0.631 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(c2cc(F)ncn2)C[C@H]1OC 1090921338 HQZUKKHGHJAXJR-VXGBXAGGSA-N 322.340 -0.025 30 20 DBED COCC(C)(C)C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1091162472 WHFADXRIIHJXLE-MNOVXSKESA-N 319.365 -0.313 30 20 DBED Cc1cnc2nc(C(=O)NCCNc3nccnc3C#N)nn2c1 1093942087 NVFHPKUPKASQSR-UHFFFAOYSA-N 323.320 -0.064 30 20 DBED N#Cc1nc(=NCCNC(=O)[C@@H]2CCn3cncc3C2)cc[nH]1 1093951005 ATVQHJBSUMSWMW-LLVKDONJSA-N 311.349 -0.243 30 20 DBED N#Cc1c[nH]ccc1=NCCNC(=O)C[C@H]1CCCC(=O)N1 1094259915 ZLUXGSOUKCCYBD-GFCCVEGCSA-N 301.350 -0.038 30 20 DBED C[C@H](CC(=O)NCCCNc1cncc(C#N)n1)NC(N)=O 1094593755 LXOCRBWZEKONNH-SECBINFHSA-N 305.342 -0.287 30 20 DBED N#CCN1CC(N2C[C@H](NC(=O)[C@@H]3CCCOC3)CC2=O)C1 1094711699 LRBGFQAXHVQHTD-VXGBXAGGSA-N 306.366 -0.662 30 20 DBED C#CCCN1CC(N2C[C@H](NC(=O)c3cnc(C)[nH]3)CC2=O)C1 1094714829 CHCKIEBPLGMZKW-GFCCVEGCSA-N 315.377 -0.244 30 20 DBED COC[C@H](OC)C(=O)NCCCN(C)c1ccnc(C#N)n1 1095733284 CGNLKOUWWFKAMM-NSHDSACASA-N 307.354 -0.048 30 20 DBED CS(=O)(=O)CC(=O)N[C@H]1CCCN(c2nccnc2C#N)C1 1096152031 NOFPFPZZXCTGCP-JTQLQIEISA-N 323.378 -0.522 30 20 DBED N#Cc1cncc(N2CC[C@H](NC(=O)C(=O)NCC(F)F)C2)n1 1096446107 IBJZZWDFZHWZIV-QMMMGPOBSA-N 324.291 -0.576 30 20 DBED COC(=O)NCC(=O)N1CC[C@H](Nc2nccnc2C#N)C1 1096920577 YBQPPJJECFGRDO-VIFPVBQESA-N 304.310 -0.283 30 20 DBED CCC(=O)NCC(=O)N[C@H]1C[C@@H](Nc2cncc(C#N)n2)C1 1097165082 VUTUBCFGUPGUTP-AOOOYVTPSA-N 302.338 -0.066 30 20 DBED C[C@H](CNC(=O)CN1CCOCC1=O)Nc1ccc(C#N)nn1 1098356421 QAIYIPGCFRSNCL-SNVBAGLBSA-N 318.337 -0.876 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)/C=C(\C)CC)[C@@H](O)C1 1099817663 CWIGWUOLOIPNOV-ZJTSMVRJSA-N 307.394 -0.357 30 20 DBED C=CCN1CC[C@@H](NC(=O)CNC(=O)c2ccncc2)[C@@H](O)C1 1099841493 LKNYIEDXLIUQLG-KGLIPLIRSA-N 318.377 -0.451 30 20 DBED C#CCCN1CC[C@H](NC(=O)CCc2cnn(C)n2)[C@H](O)C1 1100009491 ZASMOYMXPBOTOL-UONOGXRCSA-N 305.382 -0.678 30 20 DBED CN1CC[C@@H](C(=O)NCCN(C)c2cncc(C#N)n2)C1=O 1100273014 BEVRHQCCWOBUBZ-NSHDSACASA-N 302.338 -0.621 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CC(CNC(=O)c2n[nH]cc2F)C1 1100650138 YXXXAHIWPQUFCJ-KPPDAEKUSA-N 321.356 -0.215 30 20 DBED C=CCOCCN1C[C@@H]2CN(C(=O)[C@H]3CNC(=O)N3)C[C@]2(C)C1 1101343948 RVOJFTFWXLJRQV-IOASZLSFSA-N 322.409 -0.349 30 20 DBED C#CCNC(=O)CC(=O)N(C)[C@H]1CCN(c2ccc(C)nn2)C1 1102693829 NZMPAEZDAHYGLN-ZDUSSCGKSA-N 315.377 -0.038 30 20 DBED CC(=O)N(C)CC(=O)NC[C@H](C)CNc1cncc(C#N)n1 1103876400 LPUFBYVZXMFHFS-SNVBAGLBSA-N 304.354 -0.009 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)CCCC(N)=O 1104013745 AQOIAOGZVRBCKY-JTQLQIEISA-N 304.354 -0.410 30 20 DBED C[C@H](CNC(=O)[C@@H]1CCNC1=O)CNc1nccnc1C#N 1104157143 GJGCJKRPSIHMKH-VHSXEESVSA-N 302.338 -0.351 30 20 DBED C=CCNCc1cn(C2CN(C(=O)CNC(=O)OC)C2)nn1 1105174027 FLYMJOFBWSGABD-UHFFFAOYSA-N 308.342 -0.707 30 20 DBED C#CCNCc1cn(C2CN(C(=O)CCn3ccnc3)C2)nn1 1105294951 PZKFZSGKECRMIG-UHFFFAOYSA-N 313.365 -0.329 30 20 DBED Cc1noc(C)c1C(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1 1105744041 JBRZKXHMAGDNQW-JTQLQIEISA-N 316.321 -0.422 30 20 DBED COCCCOCC(=O)NC[C@@H](O)CNc1nccnc1C#N 1105958423 AYNKGZGYMWSXSC-LLVKDONJSA-N 323.353 -0.710 30 20 DBED C[C@@H]1CC[C@H](C(=O)NC[C@H](O)CNc2ccc(C#N)nn2)O1 1106110659 WOLXHQSIHBVFNV-YUSALJHKSA-N 305.338 -0.195 30 20 DBED C[C@@H]1OCCO[C@@H]1C(=O)NC[C@@H](O)CNc1cncc(C#N)n1 1106161257 KRITVMXEQYHIAK-GAFUQQFSSA-N 321.337 -0.959 30 20 DBED CC(=O)N1CC(C(=O)N[C@@H](C)CCN=c2cc[nH]c(C#N)n2)C1 1106307622 HICUPQCMWALPKR-JTQLQIEISA-N 316.365 -0.445 30 20 DBED C#CCNC[C@@H]1CN(C(=O)COCc2ncnn2C)C[C@H]1C 1106824894 OCYDZSSSXPZRFJ-CHWSQXEVSA-N 305.382 -0.351 30 20 DBED COC(=O)NCC(=O)N[C@H](C)CN=c1cc(C)[nH]cc1C#N 1107634952 ZQPHTGOWNHNTQS-SNVBAGLBSA-N 305.338 -0.044 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)CCn1ccnn1 1107695468 GAWNNNGMOWYPRD-SNVBAGLBSA-N 300.326 -0.631 30 20 DBED CCN1CCOC[C@H]1C(=O)N[C@H](C)CN=c1cc[nH]c(C#N)n1 1107994370 DSFDTPFIIVCLCF-NEPJUHHUSA-N 318.381 -0.593 30 20 DBED C=C(Cl)CN1CCO[C@@](C)(CNC(=O)[C@@H]2CNC(=O)N2)C1 1108166857 FYLSVJFVBQVQSY-GWCFXTLKSA-N 316.789 -0.373 30 20 DBED C[C@@H](CNc1nccnc1C#N)NC(=O)CCn1cncn1 1108271885 KHIMSHQGDFEUHX-JTQLQIEISA-N 300.326 -0.053 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)[C@@H]2CCc3nn[nH]c3C2)C1 1108340745 IXQGPSQQMWAZEN-WBMJQRKESA-N 317.393 -0.250 30 20 DBED C[C@@H](CNc1ccc(C#N)nn1)NC(=O)[C@@H]1CCCS1(=O)=O 1108405416 AQWGRQLSEYBCNI-ONGXEEELSA-N 323.378 -0.158 30 20 DBED CC#CCN1CCN(C(=O)COCC)[C@@H]2CS(=O)(=O)C[C@@H]21 1108453521 WUTKCDGIDSXSTJ-QWHCGFSZSA-N 314.407 -0.644 30 20 DBED CC(=O)N1CC(C(=O)NCC2(N=c3cc[nH]cc3C#N)CC2)C1 1110113529 VJTICRYNPUAXFH-UHFFFAOYSA-N 313.361 -0.086 30 20 DBED C[C@@]1(C(=O)NCC2(Nc3nccnc3C#N)CC2)CCNC1=O 1110344515 KSFXHHVOCPETIY-CQSZACIVSA-N 314.349 -0.065 30 20 DBED C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2[C@H](C)C(=O)NC(N)=O 1110385379 YCJVHNMTMDGJDY-KKOKHZNYSA-N 324.381 -0.506 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@]1(O)CCN(c2ccc(C)nn2)C1 1111098031 KQFPYVYVAORXMB-CZUORRHYSA-N 318.377 -0.119 30 20 DBED N#Cc1c[nH]ccc1=NCCN(CCO)C(=O)CCCC(N)=O 1111485756 JXYSBAKCADLEGG-UHFFFAOYSA-N 319.365 -0.736 30 20 DBED CNS(=O)(=O)CC(=O)N1C[C@@H]2CCC[C@]2(CNCC#N)C1 1112580700 ACVRDEBQAKREKC-AAEUAGOBSA-N 314.411 -0.723 30 20 DBED Cc1nccc(N2C[C@H](CNC(=O)CSCC#N)[C@@H](O)C2)n1 1112727014 YVQRJGKSQAEXKF-RYUDHWBXSA-N 321.406 -0.045 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCN(CCN2C(=O)CCC2=O)CC1 1112804834 UFMWAVSQKHFNQL-MRXNPFEDSA-N 323.393 -0.393 30 20 DBED O=C(CN1CCN(C(=O)C#CC2CC2)CC1)NC[C@H]1CCCO1 1112824755 CYYPWANNFGCBDG-OAHLLOKOSA-N 319.405 -0.161 30 20 DBED CCc1nc(C#N)cc(N[C@@H](C)[C@H](C)NC(=O)CNC(N)=O)n1 1112894948 NNHDASBVHIVXPP-IUCAKERBSA-N 319.369 -0.116 30 20 DBED C=CCCN1CCN(C(=O)CS(=O)(=O)CCOC)CC1 1113027673 YBXCXDFKMJEBSB-UHFFFAOYSA-N 304.412 -0.232 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCCNC1=O)N(C)c1ccnc(C#N)n1 1113744488 OXNMZONEVPMLGO-QWRGUYRKSA-N 316.365 -0.185 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)Cn3cccn3)[C@H]2C1 1113854839 PGUFYWDTNUYXTI-RMRHIDDWSA-N 315.377 -0.933 30 20 DBED N#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3ccncc3F)[C@H]2C1 1114088644 RQDTWCKQEKZJEP-YABSGUDNSA-N 317.324 -0.480 30 20 DBED CCNC(=O)CN1C[C@@H]2C(NC(=O)c3c[nH]c(C#N)c3)[C@H]2C1 1114148928 MQXUHAQFCAKAJM-RYUDHWBXSA-N 301.350 -0.318 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@@H]2CN(CCOC(C)C)C[C@@H]12 1114170814 XUSDYMHXJHACIU-CHWSQXEVSA-N 307.394 -0.403 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)Cc3cncnc3)[C@@H]2C1 1114186997 MJDPIOQNCPGUPY-CHWSQXEVSA-N 315.377 -0.632 30 20 DBED C#CCOCCC(=O)NC1[C@H]2CN(Cc3nnc(C)o3)C[C@H]12 1114265376 CWDXMAWGTICTFY-RYUDHWBXSA-N 304.350 -0.036 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H]1[C@@H]2CN(Cc3nnc(C)o3)C[C@@H]21 1114270550 HSNUVNKCCZSZIU-PQFRYHKHSA-N 304.350 -0.037 30 20 DBED C=CCCCN1C[C@H]2C(NC(=O)Cn3cnc(C(N)=O)n3)[C@@H]2C1 1114304588 UNWAFPLLVOZWFS-GHMZBOCLSA-N 318.381 -0.610 30 20 DBED N#Cc1ccc(N2C[C@H]3C(CNC(=O)Cn4cnnn4)[C@@H]3C2)cn1 1114509348 XHNNZYSZHPJLOX-KBPBESRZSA-N 324.348 -0.562 30 20 DBED C=CCOCCN1C[C@H]2C(NC(=O)[C@H]3CN(C)C(=O)N3)[C@@H]2C1 1114671802 JZZICAXCIFZFQT-IJLUTSLNSA-N 308.382 -0.741 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)CN3CCC[C@H]3C)[C@@H]2C1 1114831628 DPBBJERHQNAZKU-MGPQQGTHSA-N 318.421 -0.734 30 20 DBED CN1CC[C@H](CC(=O)NC2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]23)C1 1115127990 CPRYMXYXKUSVSA-JHJVBQTASA-N 319.409 -0.986 30 20 DBED C#Cc1ccc(C(=O)NC2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]23)cn1 1115139641 HAOPFPDDZHBJHR-ZIAGYGMSSA-N 323.356 -0.637 30 20 DBED CN(CCOCCNC(=O)[C@@H]1CCOC1)c1cnc(C#N)cn1 1115180174 HPYJKJHJHMJQQN-GFCCVEGCSA-N 319.365 -0.046 30 20 DBED C=CCC[C@H](C)N1C[C@H]2C(NC(=O)CS(=O)(=O)NC)[C@@H]2C1 1115250567 YQWSFCVBCXGKPJ-QJPTWQEYSA-N 315.439 -0.063 30 20 DBED C[C@H](CN(C)C(=O)Cn1cnnn1)N=c1cc[nH]cc1C#N 1115602211 FXQOMJBADKNBOD-SNVBAGLBSA-N 300.326 -0.679 30 20 DBED COC(=O)NCC(=O)N(C)C[C@@H](C)Nc1cncc(C#N)n1 1115620544 FLPNJWMNWOENOE-SECBINFHSA-N 306.326 -0.037 30 20 DBED C#C[C@H](NC(=O)C(=O)NCc1nn(CC)nc1C)[C@H]1CCCO1 1118115804 AFDHUFKXUQALRC-WCQYABFASA-N 319.365 -0.480 30 20 DBED C#Cc1ccc(NC(=O)C(=O)NC[C@]2(O)CCN(C)C2)cc1 1120943945 ROOXDJVKCIHUJU-MRXNPFEDSA-N 301.346 -0.211 30 20 DBED Cc1nc(N[C@@H](CO)CNC(=O)c2cnnn2C)ccc1C#N 1121387888 WSUNUBNBABEMGB-LLVKDONJSA-N 315.337 -0.407 30 20 DBED Cc1nonc1C(=O)NC[C@H](CO)Nc1cnc(C#N)cn1 1121733283 BASGHQZUWJHJPN-SECBINFHSA-N 303.282 -0.758 30 20 DBED CCCN(C)CC(=O)NC[C@H](CO)Nc1cnc(C#N)cn1 1121887741 JMDXTYQYMKQKOY-GFCCVEGCSA-N 306.370 -0.421 30 20 DBED Cc1nsc(N[C@H](CO)CNC(=O)Cc2nc[nH]n2)c1C#N 1121994881 SLIRWOWQIYEZAR-QMMMGPOBSA-N 321.366 -0.427 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H](CO)Nc1ccc(C#N)nc1 1122037624 XTHZGAZZMYXAAV-BXUZGUMPSA-N 302.334 -0.119 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)c1occc1C 1123535860 VZUUZPMKFMPLHE-UHFFFAOYSA-N 308.338 -0.081 30 20 DBED C=C(CN(C)C)C(=O)N[C@H]1CCN(c2cc(=O)n(C)c(O)n2)C1 1123978248 MIVKRVIQMIEQRC-NSHDSACASA-N 321.381 -0.701 30 20 DBED N#Cc1cc(C(=O)NCCNC[C@H]2CCS(=O)(=O)C2)c[nH]1 1125987895 HCNLNKYTCVYBNV-SNVBAGLBSA-N 310.379 -0.360 30 20 DBED C#CCO[C@@H](C)C(=O)NCCNCC(=O)Nc1cc(C)on1 1127047176 ZAZAUZOOPUNKGW-NSHDSACASA-N 308.338 -0.334 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)c1cc(CN(C)C)on1 1130648510 PHMFEEYBZTXMNL-LLVKDONJSA-N 323.397 -0.254 30 20 DBED COc1ccc(C(=O)NCCNCC(=O)NCC#N)c(F)c1 1130920052 IEIHFUNHLLQJGR-UHFFFAOYSA-N 308.313 -0.207 30 20 DBED C=C[C@](C)(O)CC(=O)N1C[C@@H]2C[C@@H]3CN(CCCO)C[C@]2(C1)O3 1131220274 KDUBMKNXSCXXSP-HDEZJCGLSA-N 324.421 -0.002 30 20 DBED C[C@@H]1CC[C@@H](NC(=O)c2cccnn2)CN1CC(=O)NCC#N 1132369413 WZAFPYBSZZGDJE-VXGBXAGGSA-N 316.365 -0.301 30 20 DBED C[C@@H]1CC[C@@H](NC(=O)CCCC(N)=O)CN1CC(=O)NCC#N 1132536543 CDBVKLRWCBZMCA-VXGBXAGGSA-N 323.397 -0.749 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1ccc2nc(O)[nH]c2n1 1132923953 UFQGVAYPQXWOCG-UHFFFAOYSA-N 318.337 -0.715 30 20 DBED C[C@H]1CCN(C(=O)C(=O)NCC(F)F)C[C@H]1CNCC#N 1132937427 KNDIZECYZQNHFO-VHSXEESVSA-N 302.325 -0.035 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)c1cnccn1 1133548760 AHSCREMBYVXMKU-NEPJUHHUSA-N 303.366 -0.288 30 20 DBED C=CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)CCn1cnnn1 1135759001 FOTKHZXDSLXZOU-VXGBXAGGSA-N 323.401 -0.762 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@H]1CCN(C(=O)CC)C1 1146912945 XNSXIUULMADGAA-STQMWFEESA-N 322.409 -0.911 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@H](C)NC(=O)CC(C)(C)C 1147377980 UWCUZRKSYVNSLR-LBPRGKRZSA-N 324.425 -0.618 30 20 DBED C=CCN1CCC2(C1)CN(C(=O)CS(=O)(=O)N(C)C)C2 1148690787 OFUATNQSRMIUIY-UHFFFAOYSA-N 301.412 -0.402 30 20 DBED C=CCOCCNCCNC(=O)CNC(=O)NCc1ccco1 1152260545 HEEYWLXSVUNDIX-UHFFFAOYSA-N 324.381 -0.013 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)Cc1cnn(C)c1 1155563528 CNQCNPYMMXTJOE-GFCCVEGCSA-N 307.398 -0.251 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@@H](C)N(CC)CC(N)=O 1155654595 UWBPXPIZVBZPRE-DGCLKSJQSA-N 312.414 -0.231 30 20 DBED C#CCNC(=O)CC(=O)NCCCNCC(=O)NCC(C)(C)C 1156853137 ZCOYVNYYOJEPBJ-UHFFFAOYSA-N 324.425 -0.616 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)C[C@H]1CCCCN1C(=O)CC(N)=O 1157737648 IEZOLBKYRJFECP-CHWSQXEVSA-N 322.409 -0.687 30 20 DBED CN(CC(=O)NCC#N)C[C@H]1CCCCN1C(=O)c1ncc[nH]1 1157913616 KKVLVHHRYXGZRR-GFCCVEGCSA-N 318.381 -0.024 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)[C@H]1CN2CCC1CC2 1158202151 DOZKGFSPYCUYKD-HIFRSBDPSA-N 320.437 -0.438 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@H]1C[C@@H](C)CC(=O)N1 1158263822 GTPLBKYATRWAES-VXGBXAGGSA-N 310.398 -0.701 30 20 DBED N#CCNC(=O)CNCCCNC(=O)Cc1cc(C2CC2)no1 1159747942 QQRXRLVKCNKWCN-UHFFFAOYSA-N 319.365 -0.170 30 20 DBED C#CCNC(=O)[C@H](C)NCC1(CCNC(=O)CNC(C)=O)CC1 1163190496 FQHWISKVHQBEKD-LBPRGKRZSA-N 322.409 -0.864 30 20 DBED C=C(C)C[C@@H](C)C(=O)NCCCNCC(=O)N1CCNC(=O)C1 1164345557 BCJBPLYXXBBENR-CYBMUJFWSA-N 324.425 -0.357 30 20 DBED Cn1cncc1C(=O)NCCC1(CNCC(=O)NCC#N)CC1 1166000859 RHGGXQHAFKCDSQ-UHFFFAOYSA-N 318.381 -0.450 30 20 DBED Cc1nn[nH]c1C(=O)NCCC1(CNCC(=O)NCC#N)CC1 1166532453 YPSRKEFQZSVJMS-UHFFFAOYSA-N 319.369 -0.757 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)Cc2nc[nH]n2)C1=O 1170725341 BFOPPISVXIXPBG-NSHDSACASA-N 306.370 -0.770 30 20 DBED C#CCNC(=O)CNCCCNC(=O)CCCCCNC(C)=O 1175373580 UGKPJTPJHCSTOF-UHFFFAOYSA-N 324.425 -0.472 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)c1nn(CC)nc1C 1177511208 PEBAGAAOLFHNRP-GFCCVEGCSA-N 320.397 -0.546 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H](OCC)C2CC2)C1 1182631318 KUWSEKHGLPUJFM-UKRRQHHQSA-N 307.394 -0.259 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H](C)c2ccnn2C)C1 1182670514 PQQRXAKGFGILGU-CHWSQXEVSA-N 317.393 -0.537 30 20 DBED C[C@@H]1CN(C(=O)CC[C@H]2NC(=O)NC2=O)C[C@@]1(C)CNCC#N 1183349068 VPAMFFZIGZNDOH-UEKVPHQBSA-N 321.381 -0.428 30 20 DBED C=CCOCCN[C@@H]1CCN(C(=O)Cn2ccc(O)nc2=O)C1 1184015418 SKVZGVWMNRBJPD-GFCCVEGCSA-N 322.365 -0.658 30 20 DBED C[C@H]1CN(C(=O)CCNS(C)(=O)=O)CC[C@@H]1CNCC#N 1184525443 WPGQIPIPZVJVHH-NWDGAFQWSA-N 316.427 -0.477 30 20 DBED C=C(C)CNCc1cn([C@H]2CCCN(C(=O)C(N)=O)C2)nn1 1185992217 GXLVIZCTOVAKBX-LBPRGKRZSA-N 306.370 -0.407 30 20 DBED CNC(=O)CNC[C@H]1CN(C(=O)[C@@H](C)C#N)CC12CCOCC2 1186309275 FIEIXZHWHAMUJC-STQMWFEESA-N 322.409 -0.263 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)[C@H](C)CN2CCOCC2)C1 1187850660 FNSVYDJLQZEBCG-HZPDHXFCSA-N 323.437 -0.205 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@H]1CCN(C(=O)c2cnsn2)C1 1189058825 JVLSUSZQYFUFLH-MNOVXSKESA-N 321.406 -0.178 30 20 DBED CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@@H](N(C)CC#N)C1 1190290042 INQDJABGQCEFTL-GHMZBOCLSA-N 302.400 -0.630 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C[C@H](O)COC)C1 1190722998 HCDALKDMZZGZKJ-PMPSAXMXSA-N 323.437 -0.376 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)CCCC(C)=O)C1 1191027698 NJUOTSDSNJFLHH-BFHYXJOUSA-N 323.393 -0.955 30 20 DBED C#CCCCCC(=O)N[C@@H]1CN([C@H]2CCN(CC)C2=O)C[C@H]1O 1192328242 CTDNHDWGUKMCGL-QLFBSQMISA-N 321.421 -0.038 30 20 DBED Cc1coc(C)c1C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1O 1192589793 BNSXKSMJOVZYMF-VXGBXAGGSA-N 320.349 -0.689 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)C[C@H](C)COC)C1 1193154772 CWAFAGYYRMTEJQ-KBPBESRZSA-N 309.410 -0.059 30 20 DBED CC#CCCCC(=O)N[C@@H]1CN(CCN2CCNC2=O)C[C@H]1O 1195473192 KSOSPVWPGUWUTQ-ZIAGYGMSSA-N 322.409 -0.634 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)CNC(=O)c2cc(C)oc2C)C1 1198784830 ATZFOWQQNQARFO-ZIAGYGMSSA-N 321.377 -0.026 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)c2cn(C)cn2)CCCO1 1200249564 QAMBWKVTURXJSB-CQSZACIVSA-N 320.393 -0.109 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)Cn2cnnc2O)CCCO1 1200301120 VMVCOUGUMUTWRR-GFCCVEGCSA-N 307.354 -0.786 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC(N[C@@H](C)C(=O)NC(N)=O)CC1 1200506871 ILMUYINLTWNDAG-WDEREUQCSA-N 324.381 -0.811 30 20 DBED C#CCNC[C@@H]1CN(C(=O)Cn2cc(C3CC3)nn2)CCCO1 1200687712 GEVFUXNVGQEQMQ-CQSZACIVSA-N 317.393 -0.004 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)c2cnc(C)n2C)CC1 1202171974 RFHLPYVNGQMEOK-UHFFFAOYSA-N 317.393 -0.328 30 20 DBED C=CCCCNC1CCN(C(=O)c2cn(CC(N)=O)nn2)CC1 1203904367 TZTZJUWPEWAAGI-UHFFFAOYSA-N 320.397 -0.076 30 20 DBED C#CCNC(=O)CC(=O)N1CCC(CN[C@@H](C)C(=O)NC)CC1 1205049799 ICLNMVJAVKCACP-LBPRGKRZSA-N 322.409 -0.911 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)CN(C)C(C)=O)[C@H](C)C1 1206114664 BAYCJUOFTZDEGF-YRGRVCCFSA-N 324.425 -0.408 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)CCN(C)CC)CC1 1206794753 RTKZEELBGVUPBO-UHFFFAOYSA-N 322.453 -0.094 30 20 DBED CCNC(=O)NC(=O)CN1C[C@@H](NC(=O)C#CC(C)C)[C@H](C)C1 1206938474 YCDONJBHVUULSL-CHWSQXEVSA-N 322.409 -0.072 30 20 DBED COCC#CCN[C@@H]1CCCN(C(=O)CCc2nc[nH]n2)C1 1207763357 BSQJDDIIVYCZIX-CYBMUJFWSA-N 305.382 -0.032 30 20 DBED CNC(=O)CCCC(=O)N1CCC[C@@H](NCC(=O)NCC#N)C1 1207876883 ALRPMSWSJMPUKJ-GFCCVEGCSA-N 323.397 -0.877 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2coc(C)c2)[C@H](OC)C1 1212166333 YWEPDMVIRRWLOM-ZIAGYGMSSA-N 319.361 -0.234 30 20 DBED COCC#CCN1C[C@@H](NC(=O)CCc2cnn[nH]2)[C@H](OC)C1 1213466528 SVBPDDDMOZYXCA-ZIAGYGMSSA-N 321.381 -0.798 30 20 DBED Cc1cc(C(=O)N2C[C@@H](NCC(=O)NCC#N)[C@H](C)C2)n[nH]1 1214230953 LPKFQKUMYZIYGB-BXKDBHETSA-N 304.354 -0.592 30 20 DBED C=CCOCC(=O)N1C[C@@H](N[C@@H](C)C(=O)NC(N)=O)[C@H](C)C1 1214330264 WCOZBYZNSYNQIY-OUAUKWLOSA-N 312.370 -0.791 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)Cc2cccnc2)C[C@H]1C 1214444635 VKPLBDYTVVGCRB-UKRRQHHQSA-N 314.389 -0.190 30 20 DBED CO[C@@H](C(=O)N1C[C@@H](NCC(=O)NCC#N)[C@H](C)C1)C1CC1 1214539786 HCFSISWPYFPCGK-MPKXVKKWSA-N 308.382 -0.512 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)c2ccc(C)nn2)C[C@H]1C 1214586485 ZOXNTQMWONYVRX-BXUZGUMPSA-N 315.377 -0.415 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CCN(C)C2)C[C@H]1C 1216754010 DFZBRUHZYUTXOH-MGPQQGTHSA-N 308.426 -0.323 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)COCCCOC 1218936466 LVQNMXZEDFYOLU-LSDHHAIUSA-N 310.394 -0.026 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)Cc2ccn(C)n2)CC1 1227258102 KDGVHURBNBWEJV-UHFFFAOYSA-N 319.409 -0.155 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@H]1CN(C)C(=O)CC(C)(C)O 1234039580 NLGUSRMYLLHTMP-OLZOCXBDSA-N 309.410 -0.182 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C[C@@H]1CCN1CC(=O)N1CCC1 1234215148 JEJBFEIWPDODAH-KBPBESRZSA-N 307.394 -0.210 30 20 DBED COCCN1CC[C@@H](NC(=O)C(=O)Nc2cnn(CC#N)c2)C1 1253369901 UOETWIOPSSCOJS-LLVKDONJSA-N 320.353 -0.818 30 20 DBED C[C@@H](CN1CCOCC1)NC(=O)C(=O)N1CCC(CC#N)CC1 1321508871 NBOLXKOETMAIBK-ZDUSSCGKSA-N 322.409 -0.024 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)NC1CCN(CC#N)CC1 1322620736 AVZRNTQVYDVPRR-UHFFFAOYSA-N 300.362 -0.424 30 20 DBED N#Cc1ccc(Cl)c(NC(=O)C(=O)NN2CC(=O)NC2=O)c1 1323274853 ZAKICDXTVDAQGA-UHFFFAOYSA-N 321.680 -0.267 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCO[C@H]([C@H]2CCCO2)C1 1323698371 JOLOVBZKSAZJQZ-OLZOCXBDSA-N 310.350 -0.841 30 20 DBED COc1ncccc1CNC(=O)C(=O)N1CCO[C@H](C#N)C1 1325536029 ZTVRFGKGWZPOBW-LLVKDONJSA-N 304.306 -0.543 30 20 DBED C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)C(=O)N1CC[C@](O)(CC#N)C1 1326227485 NLPKVUAMRMZQAT-XJKCOSOUSA-N 322.409 -0.338 30 20 DBED C=C(C)COCCNC(=O)C(=O)N1CCc2nnc(O)cc2C1 1327311976 FFHPZYKQUBVRHJ-UHFFFAOYSA-N 320.349 -0.224 30 20 DBED COCC#CC(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 1328544857 YIJNJLQGAZMIIA-UHFFFAOYSA-N 300.380 -0.291 30 20 DBED C[C@@H](C#N)CN(C)C(=O)C(=O)N1C[C@@](C)(CO)[C@@](C)(CO)C1 1331649327 QZKNZMRVULWJQQ-TUKIKUTGSA-N 311.382 -0.556 30 20 DBED C#C[C@@H](NC(=O)C(=O)NCCOCCOCC)[C@@H]1CCCO1 1333512562 CLYODISRJQNRGM-OLZOCXBDSA-N 312.366 -0.547 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N1C[C@@H]2CCNC[C@@H]2C1 1336872187 KTWKNDZCSGVNRQ-NWDGAFQWSA-N 301.412 -0.162 30 20 DBED C=CCN(CCOC)c1nnnn1Cc1nnnn1C1CC1 1337508815 PFUKJQQZMIOKSD-UHFFFAOYSA-N 305.346 -0.318 30 20 DBED C[C@@]1(O)CCN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1 1351857123 UNQRBYANTCUIPO-IUODEOHRSA-N 306.366 -0.832 30 20 DBED N#Cc1cn(CCC(=O)NC[C@@H]2CCCCO2)c(=O)nc1O 1361700963 HLBYMYLKUXSZTN-NSHDSACASA-N 306.322 -0.104 30 20 DBED COC(=O)C1(O)CCN(C(=O)[C@@H](C)n2cnc(C#N)n2)CC1 1362254358 NVTJPBSVTQHVAP-SECBINFHSA-N 307.310 -0.763 30 20 DBED CN(CCCc1[nH]nc(N)c1C#N)CC(=O)N=S(C)(C)=O 1364685656 RGVQBGRXKVTWBD-UHFFFAOYSA-N 312.399 -0.018 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)NC[C@@H]1CCN(C(N)=O)C1 1364909352 VAGMZPCSUTXAFE-ZJUUUORDSA-N 303.388 -0.687 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1ccc2c(c1)CCO2 1376675903 NEVQDHANFRUGAL-GWCFXTLKSA-N 317.345 -0.012 30 20 DBED COCCN(CCNC(=O)Cn1cc(C)cn1)C(=O)[C@H](C)C#N 1384390597 MHYQYHNOAUPHGP-CYBMUJFWSA-N 321.381 -0.058 30 20 DBED CCNC(=O)NC(=O)[C@H](C)N[C@H]1C[C@@H](CNC(=O)[C@@H](C)C#N)C1 1388669038 BEQFZFNBHVCYDC-FIQHERPVSA-N 323.397 -0.135 30 20 DBED CCN1CCOC[C@H]1C(=O)N1CC(CNC(=O)[C@H](C)C#N)C1 1398814739 NNJZXIFUIZBWAG-YPMHNXCESA-N 308.382 -0.559 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H](O)CNC(=O)c2cscn2)c1 1410105716 RNKDOLKXXICJNH-VIFPVBQESA-N 319.346 -0.136 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CCCN(C(=O)Cn2ncnn2)C1 1415345259 BYNJNMNNWPPBII-QWRGUYRKSA-N 305.342 -0.718 30 20 DBED COc1cc(OC)nc(C(=O)N2CC(NC(=O)[C@H](C)C#N)C2)n1 1416047979 VVYOGYSKIZLAPG-MRVPVSSYSA-N 319.321 -0.406 30 20 DBED C[C@@H](C#N)C(=O)NC[C@]1(C)CCN(C(=O)CCNC(N)=O)C1 1417366593 MXSWZIPPSSIIQA-HZMBPMFUSA-N 309.370 -0.441 30 20 DBED C[C@H](CCNC(=O)c1ccc(=O)n(C)n1)NC(=O)[C@H](C)C#N 1429133932 PTQMDIIYZPEHTF-NXEZZACHSA-N 305.338 -0.435 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H]1CNC(=O)CS(C)(=O)=O 1429727722 MONLKTKMAZZXCQ-ZJUUUORDSA-N 301.368 -0.702 30 20 DBED CS(=O)(=O)CC(=O)NCC1(NC(=O)c2ccc(C#N)[nH]2)CC1 1432156328 RZEVJXMUMLDJHM-UHFFFAOYSA-N 324.362 -0.690 30 20 DBED C[C@H]1CCCN(C(=O)CN2CC(O)(CNC(=O)[C@H](C)C#N)C2)C1 1446828232 KIOIFVLBCVGZHZ-QWHCGFSZSA-N 322.409 -0.433 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CCCS2(=O)=O)C1 1447453971 ZBIILHWFMYWXEF-GWOFURMSSA-N 313.379 -0.513 30 20 DBED CCN(CCNC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)[C@H](C)C#N 1449450019 RVGOAFOPAASACR-MNOVXSKESA-N 315.395 -0.455 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)c2ccnn2CCC)C1 1479954300 CSPXVJFBGVUXGX-CYBMUJFWSA-N 317.393 -0.153 30 20 DBED C[C@@H](CC(N)=O)C(=O)NC[C@H](O)CNCc1ccc(C#N)s1 1482757826 RBIWDPHAACZVKB-VHSXEESVSA-N 324.406 -0.302 30 20 DBED C=C(Cl)CNC[C@@H](O)CNC(=O)[C@@H](C)CS(C)(=O)=O 1482798079 FWGFRCMSGVCKEO-WCBMZHEXSA-N 312.819 -0.514 30 20 DBED N#Cc1c[nH]c(C(=O)N2CCC(N(CCO)CC(N)=O)CC2)c1 1489352494 DJOXUNDAJHIBTM-UHFFFAOYSA-N 319.365 -0.729 30 20 DBED C=CCn1cc(CNC(=O)c2ccc(-c3nn[nH]n3)n2C)nn1 1573351229 OPWMGHWCLVJNID-UHFFFAOYSA-N 313.325 -0.087 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@H](Nc2cncc(-c3nn[nH]n3)n2)C1 1573585862 IYRNYMZDIOUKDC-IWSPIJDZSA-N 313.325 -0.125 30 20 DBED C[C@]1(C(=O)O)CN(S(=O)(=O)c2ccc(C#N)nc2)CCO1 1573606789 XDTOQCJOZVBCIG-GFCCVEGCSA-N 311.319 -0.183 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@H]1COCCN1CCc1cnn[nH]1 1575075037 ZCESGSLSULZRHA-ZFWWWQNUSA-N 323.397 -0.509 30 20 DBED CC(C)Cc1nnc(N2CCO[C@@H](C#N)C2)n1CC1(N)COC1 1575667269 XBLVGIGPPFAPHX-LBPRGKRZSA-N 320.397 -0.067 30 20 DBED C[C@H](NC1CC1)C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1576235531 WKSBEUNIWMLDNF-QMMMGPOBSA-N 303.322 -0.656 30 20 DBED CC(=O)NC(=O)CSc1nc(N)c(-c2nn[nH]n2)cc1C#N 1588828279 BFGGHDZDTGMBAB-UHFFFAOYSA-N 318.322 -0.530 30 20 DBED CN(C)C(=NCCCc1[nH]nc(N)c1-c1nn[nH]n1)N(C)C 1590999748 NWRMKLSTDPFRKK-UHFFFAOYSA-N 306.378 -0.416 30 20 DBED COc1cc(C(=O)N[C@@H]2CNC[C@H]2C#N)ccc1-c1nn[nH]n1 1591512109 QUYPUDDZUIYGHR-MWLCHTKSSA-N 313.321 -0.283 30 20 DBED C#CC1(O)CN(S(=O)(=O)c2c(C)cccc2-c2nn[nH]n2)C1 1602690848 JSHWWJVEXCVKJN-UHFFFAOYSA-N 319.346 -0.456 30 20 DBED C#CCN(CC(=O)O)c1nnnn1Cc1nccc(C(F)F)n1 1602700737 HAPBFAXIBWSFKG-UHFFFAOYSA-N 323.263 -0.027 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)N1CC(n2cc(C(=O)O)nn2)C1 1602755444 UGGPIHSZGPLPTD-NSHDSACASA-N 321.337 -0.170 30 20 DBED Cc1cc(-c2nn[nH]n2)ccc1Cn1c(=O)c(C#N)cn(C)c1=O 1609388900 YPZGGUWDTOEBFD-UHFFFAOYSA-N 323.316 -0.045 30 20 DBED CCOC(=O)CN(C)C(=O)Cn1nc(C)c(C)c(C#N)c1=O 1647090188 GHFSPZWOXBIVET-UHFFFAOYSA-N 306.322 -0.247 30 20 DBED CNC(=O)[C@H](CO)NC[C@H](O)COc1ccc(CC#N)cc1 1649849799 MDTKMTLLMFFJNU-JSGCOSHPSA-N 307.350 -0.811 30 20 DBED N#CCNC(=O)CN[C@@H]1CCC[C@@H](NC(=O)Cc2nc[nH]n2)C1 1752981433 XXVJGNJAZMZELX-GHMZBOCLSA-N 319.369 -0.996 30 20 DBED CC(C)N1CCCC[C@@H]1C(=O)N(C)CCNCC(=O)NCC#N 1753241737 HLXBDRZPGJOGPH-CQSZACIVSA-N 323.441 -0.063 30 20 DBED COCCCNC(=O)CN1CC(NC(=O)c2cc(C#N)c[nH]2)C1 1753373629 BCMHUZXXCQMPEM-UHFFFAOYSA-N 319.365 -0.547 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1CN([C@@H](C)c2nnnn2C)C1 1753400676 GECDQJPENUHDHT-HZMBPMFUSA-N 308.386 -0.354 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)CC(C)(C)O 1753420061 KTSHHRZNZDSAKK-AGIUHOORSA-N 307.394 -0.430 30 20 DBED C#CCOCCC(=O)N1C[C@@H]2C[C@H]1CN2[C@H]1CCN(C)C1=O 1753421185 YZBQEPORLHECHG-IHRRRGAJSA-N 305.378 -0.458 30 20 DBED C#CCO[C@H](C)C(=O)N(CC)[C@@H]1CCN(Cc2nc(O)n[nH]2)C1 1753455539 KSOFZZOWRFFXHL-VXGBXAGGSA-N 321.381 -0.029 30 20 DBED Cc1c(C(=O)NC[C@H](C)CNCC(=O)NCC#N)cnn1C 1753606143 RMIBAGRJPQVDML-SNVBAGLBSA-N 306.370 -0.676 30 20 DBED C#CCNC(=O)CNCC[C@@H](C)NC(=O)c1cnn(C)c1C 1753951075 NUAVTPZMPCGWMG-LLVKDONJSA-N 305.382 -0.424 30 20 DBED C#CCN(C(=O)[C@H]1CCCCO1)C1CCN(CC(N)=O)CC1 1754636859 PBJRDSINLMWDTK-CQSZACIVSA-N 307.394 -0.033 30 20 DBED C#CCN(C(=O)c1nc[nH]n1)C1CCN(CC(=O)NCC)CC1 1754641978 QIKBDRBHFMFMGL-UHFFFAOYSA-N 318.381 -0.519 30 20 DBED C#CCNC(=O)[C@H](C)N1CC(O)(CNC(=O)[C@@]23CCC[C@@H]2C3)C1 1754770835 ARAOCZQPEAZAPW-OGHNNQOOSA-N 319.405 -0.523 30 20 DBED C=CCOCC(=O)N1C[C@@H]2CN(CC(=O)N3CCC3)C[C@@H]2C1 1754840122 PJAYJBKLTAZMKD-OKILXGFUSA-N 307.394 -0.189 30 20 DBED N#CCNC[C@H]1CN(C(=O)c2ccc3nnnn3c2)CCO1 1755005949 TUYZVAXYUXWXHJ-NSHDSACASA-N 301.310 -0.922 30 20 DBED C#CCN[C@H]1CN(C(=O)CN(C)S(=O)(=O)CC)C[C@@H]1C 1755118976 MDJAMXISZAFKFQ-RYUDHWBXSA-N 301.412 -0.662 30 20 DBED C#CCNCC1(NC(=O)c2cn(CC(N)=O)nn2)CCCCC1 1755355960 BOLMEJKBGAJAKC-UHFFFAOYSA-N 318.381 -0.581 30 20 DBED C=CCOCCN1C[C@H]2[C@H](CNC(=O)Cn3cncn3)[C@H]2C1 1755435349 FDIVFTBLXFZHHW-ZSOGYDGISA-N 305.382 -0.225 30 20 DBED CC(C)=CC(=O)N1CCO[C@H]([C@@H](C)NCC(=O)NCC#N)C1 1755437473 DKEKHMNCONXHSO-OLZOCXBDSA-N 308.382 -0.202 30 20 DBED CC(C)(C)[C@@H](CNCC#N)NC(=O)CCCS(N)(=O)=O 1755830730 OLLGFFKMRCVFPE-SNVBAGLBSA-N 304.416 -0.301 30 20 DBED C#CCOCCC(=O)N[C@@H](C)[C@@H](C)NC(=O)[C@@H]1[C@H]2COC[C@H]21 1755971805 VGRQPMDTEJKXLD-GGAZOKNXSA-N 308.378 -0.072 30 20 DBED CC(C)C#CC(=O)N[C@H](CO)CNC(=O)CCc1ncccn1 1756545595 QLDOCBPCRGURRR-ZDUSSCGKSA-N 318.377 -0.338 30 20 DBED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C=CCN1)C2 1802022015 PXSBGHNDGHTCKG-FQLMCAECSA-N 317.389 -0.483 30 20 DBED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)O)C2)C1 1840175887 KUFZLUCBCVAGNK-SWLSCSKDSA-N 312.366 -0.600 30 20 DBED C#CC(=O)N1CC2(CCCN2C(=O)/C=C\C(=O)NCC=C)C1 1841055833 YBTVHBMQRMFBDU-SREVYHEPSA-N 301.346 -0.319 30 20 DBED CC(C)NC1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC1 57838354 BHOVIVQHZNPJAS-UHFFFAOYSA-N 305.382 -0.078 30 20 DBED C#CCN/C(=N\CC)NCCS(=O)(=O)N1CCSCC1 86090729 JAQOMLAAFJOZKV-UHFFFAOYSA-N 318.468 -0.447 30 20 DBED C#CCN1CCN(C(=O)CN2CC(=O)N[C@H]3CCCC[C@@H]32)CC1 132338061 CZZBHOGECKSKFU-GJZGRUSLSA-N 318.421 -0.493 30 20 DBED C=CCNC(=O)NC(=O)Cn1c(-c2ccncc2)noc1=O 195104338 GDZNQHNRSGDELE-UHFFFAOYSA-N 303.278 -0.090 30 20 DBED C/N=C(/NCCN1C(=O)CNC1=O)NCc1c(C)noc1C 261966927 PYOAECAESYTPLN-UHFFFAOYSA-N 308.342 -0.492 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCc2ccccn2)C1=O 283227841 KJPMLBJMGMSYDU-CYBMUJFWSA-N 316.361 -0.057 30 20 DBED C[C@H]1CS(=O)(=O)C[C@H]1NS(=O)(=O)c1ccc(C#N)o1 288466172 TVNVCGNYRWJMKU-IONNQARKSA-N 304.349 -0.137 30 20 DBED CCn1cc(C#N)c(=O)n(C[C@H](O)COCC(F)(F)F)c1=O 292559223 XXNAPHUWFPDLLO-VIFPVBQESA-N 321.255 -0.159 30 20 DBED C#CCO[C@H](C)C(=O)NCCS(=O)(=O)N1CCSCC1 294490824 DZHWALIYTCYXNF-LLVKDONJSA-N 320.436 -0.481 30 20 DBED Cn1cc(CN2C[C@@H](F)C[C@H]2C/N=C(/O)Cn2cnnn2)cn1 329991536 XAGTYOMHMWVZLK-RYUDHWBXSA-N 322.348 -0.024 30 20 DBED CN(C)S(=O)(=O)c1cc(/C(O)=N/[C@@]2(CO)CCOC2)co1 330822353 DWIPVMRJQKVVTR-GFCCVEGCSA-N 318.351 -0.014 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)NCCOCCN(C)C 336899356 PLRJEFOLZUCAOM-LBPRGKRZSA-N 306.432 -0.119 30 20 DBED CC(C)(O)CN(C1CC1)S(=O)(=O)N1CCO[C@H](C#N)C1 337163712 XAEZTIABKHPAHD-LLVKDONJSA-N 303.384 -0.309 30 20 DBED COCCN(CCC#N)S(=O)(=O)NC[C@]1(O)CCO[C@H]1C 337166784 CDFYOSGJGLNUHG-NWDGAFQWSA-N 321.399 -0.777 30 20 DBED C=CCNC(=O)CS(=O)(=O)c1nnc(NCC=C)s1 350240494 KVRQGYQCMSWZSM-UHFFFAOYSA-N 302.381 0.212 30 20 DBED COC(=O)C[C@H]1CN(C(=O)NCCn2cnc(C#N)n2)CCO1 357859703 KGTNZFVVZLIVHR-JTQLQIEISA-N 322.325 -0.877 30 20 DBED Cc1cccc(NC(=O)C(=O)NC[C@@]2(O)CCN(C)C2)c1C#N 358373254 CPAAZFGBZAMRSB-INIZCTEOSA-N 316.361 -0.012 30 20 DBED COC(=O)[C@@H](O)C1CCN(S(=O)(=O)CC2(C#N)CC2)CC1 361820828 IGGSTUUBDPYYOX-NSHDSACASA-N 316.379 -0.134 30 20 DBED C[C@H](CC#N)NC(=O)Cn1ccc2c(=O)n(C)c(=O)n(C)c21 362598673 ISRPOGWWJFMGSC-SECBINFHSA-N 303.322 -0.543 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC[C@@H](N2CCCS2(=O)=O)C1 365517085 RQOCWJMGNGQPAW-QWHCGFSZSA-N 313.423 -0.376 30 20 DBED C#CCCS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 377341377 COZBVYAKKKZPIN-ZDUSSCGKSA-N 313.423 -0.422 30 20 DBED CC(C)[C@@H]1C(=O)NCCN1S(=O)(=O)N(C)[C@@H](C)CC#N 407975720 RCNWABPHBLVNNU-WDEREUQCSA-N 302.400 -0.078 30 20 DBED CC(C)C[C@H](NS(=O)(=O)[C@H](C)C#N)C(=O)NCCN(C)C 416437953 IZPXLBBJSSKTCB-NEPJUHHUSA-N 318.443 -0.090 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)NCCN)CCN1Cc1ccccc1 419822686 WMNRKILTKQNUKV-CQSZACIVSA-N 315.377 -0.702 30 20 DBED C[C@H]1CCS(=O)(=O)CCN1C(=O)CNc1ccc(C#N)cn1 432592154 KRCMUVIZUSAWLM-NSHDSACASA-N 322.390 0.401 30 20 DBED C#CCNC(=O)CN1CCN(Cc2ncc(Cl)n2C)CC1 491166940 VGULITJNDVMTBN-UHFFFAOYSA-N 309.801 -0.060 30 20 DBED C#CCNC(=O)CN1CCN(Cc2occc2C(=O)OC)CC1 491166978 VQMHCSACGUBCRY-UHFFFAOYSA-N 319.361 -0.067 30 20 DBED C=CCNC(=O)CNC(=O)c1cc(S(=O)(=O)N(C)C)c[nH]1 540791208 LSSZHBQYFLGUNL-UHFFFAOYSA-N 314.367 -0.703 30 20 DBED N#Cc1cc(F)c(S(=O)(=O)N2C[C@H](O)[C@@H](CO)C2)c(F)c1 563435250 HFWBSAWFLRLYQJ-KCJUWKMLSA-N 318.301 -0.190 30 20 DBED N#Cc1ccc(S(=O)(=O)N2C[C@@H](O)[C@H](CO)C2)cc1F 580725849 WNXVGNODSZODHH-JOYOIKCWSA-N 300.311 -0.329 30 20 DBED CN(CCN1CCCC1)C(=O)C(=O)NC1CCN(CC#N)CC1 588127940 ULRPDHDLAPQCCE-UHFFFAOYSA-N 321.425 -0.355 30 20 DBED CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CCN(CCC#N)CC2)C1 601449345 PHNQKJMLWIZPOZ-CQSZACIVSA-N 321.425 -0.403 30 20 DBED C=C[C@](C)(O)C(=O)N1C[C@H]2CN(C(=O)[C@](C)(O)C=C)C[C@H]2C1 615417123 FHRHGDSZFUNCNT-HMEQZMJYSA-N 308.378 -0.223 30 20 DBED C=CCN(CCc1ccco1)C(=O)C(=O)NC[C@H]1COCCN1 627472075 GMGJWTZOJNWPKD-ZDUSSCGKSA-N 321.377 -0.059 30 20 DBED C=CCNC(=O)CNC(=O)N1CCN(C(=O)N2CCCC2)CC1 679029514 DVJDQLGIJBCFCT-UHFFFAOYSA-N 323.397 -0.168 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)Cc1ccc(S(N)(=O)=O)cc1 728367989 JMCMKKYMZQLYEF-JTQLQIEISA-N 324.358 -0.442 30 20 DBED N#Cc1cnn(CCOC(=O)[C@H]2CC(=O)N(C3CC3)C2)c1N 729808074 DPICDFNFEDDPGC-VIFPVBQESA-N 303.322 -0.109 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O 735477203 MLYCSYVXPQRKOU-KGLIPLIRSA-N 315.377 -0.261 30 20 DBED N#C[C@H]1CN(S(=O)(=O)CCCC(=O)O)CCN1C1CC1 738421415 CSERNXYXWBJEIB-NSHDSACASA-N 301.368 -0.147 30 20 DBED N#CCN1CCN(S(=O)(=O)N2CCC(C(=O)O)CC2)CC1 738426519 RFTRFFRPQJZUFM-UHFFFAOYSA-N 316.383 -0.831 30 20 DBED CCN1CCN(C(=O)C(=O)Nc2cnn(CC#N)c2)CC1=O 755515187 KOFINVMFPDWSBV-UHFFFAOYSA-N 304.310 -0.964 30 20 DBED C[C@H](OC(=O)CCN1C(=O)CCC1=O)C(=O)N(C)CCC#N 791767526 WGZKAKZBMZVYSH-JTQLQIEISA-N 309.322 -0.171 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C[C@H]2SC(=N)NC2=O)C1=O 799026884 PURPDGWLGXCFNR-DTWKUNHWSA-N 310.379 -0.212 30 20 DBED C#CCOc1ccc(NC(=O)C(=O)NCC(=O)NCC#N)cc1 807401922 AHODIBZEMVAWSN-UHFFFAOYSA-N 314.301 -0.607 30 20 DBED C#C[C@H](NC(=O)C(=O)N(C)Cc1cnccn1)[C@H]1CCCO1 809307233 BEZHFWXDMVFVID-QWHCGFSZSA-N 302.334 -0.268 30 20 DBED N#CCOc1cccc(NC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)c1 822400245 BEMSYAMULWTMNV-MGPQQGTHSA-N 304.302 -0.060 30 20 DBED C#C[C@H](NC(=O)C(=O)NC[C@H]1CC(=O)N(CC)C1)[C@@H]1CCCO1 846737876 MTBPBJIQMVUEHD-AGIUHOORSA-N 321.377 -0.732 30 20 DBED C=CCC[C@@H](CO)NS(=O)(=O)N1CCC2(CC1)OCCO2 849397511 SQYPVJUKFNMVBA-LBPRGKRZSA-N 320.411 -0.013 30 20 DBED C#CC[C@H](CCOC)NS(=O)(=O)N1CCO[C@H](C#N)C1 859423617 HGJDNYLVKLOFJZ-VXGBXAGGSA-N 301.368 -0.526 30 20 DBED COC(=O)N(C)CC(=O)OCC(=O)N(CCC#N)CCC#N 919290602 KJJKRJKYUMDJIH-UHFFFAOYSA-N 310.310 -0.116 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)Cn3cncn3)C2)nc1 942462594 ZANGJHAMGQRLEP-CYBMUJFWSA-N 324.344 -0.315 30 20 DBED C=CCN1CC[C@@H](NC(=O)CN2CCC(=O)NC2=O)[C@@H](C)C1 944016571 MTSXDYPKLDXRAM-NWDGAFQWSA-N 308.382 -0.059 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@H](CNC(=O)C2CCOCC2)C1 944444045 NVAWAGGTXFCHSL-WCQYABFASA-N 309.366 -0.084 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@H](CNC(=O)c2cn(C)cn2)C1 944550218 NCKGFLJXXKEJCL-GHMZBOCLSA-N 305.338 -0.463 30 20 DBED C#CCN1C[C@H]2CCN(C(=O)Cn3c(O)nnc3O)CC[C@H]2C1 946872346 NTSGDASPBDKMAT-TXEJJXNPSA-N 319.365 -0.507 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)COC)C1 949725967 XFJBQHPXVUSIRJ-KGLIPLIRSA-N 307.394 -0.162 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)[C@H]1CCCO1 950435239 RLYJCXRIOWVRGU-QLFBSQMISA-N 319.405 -0.020 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1nc[nH]n1 951572763 ABVSYLVTQYVFIQ-RYUDHWBXSA-N 316.365 -0.767 30 20 DBED C[C@@]1(NC(=O)c2c[nH]c(=O)cn2)CCN(C(=O)C#CC2CC2)C1 957448012 WKUDUNSSPDVFQC-MRXNPFEDSA-N 314.345 -0.096 30 20 DBED Cc1c(C(=O)NC[C@H]2CN(CC#N)C[C@H]2O)nn2c1OCCC2 958121437 GNDGGJICAOAGOB-NWDGAFQWSA-N 319.365 -0.480 30 20 DBED C#CCN1C[C@H](CNC(=O)c2cnc3[nH]c(C)nc3c2)[C@@H](O)C1 958122134 QMNDHRBDIQXZCD-JSGCOSHPSA-N 313.361 -0.078 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](CNC(=O)c2cnnc(O)c2)C1 958164545 MFBUUCZCFJFEQF-MNOVXSKESA-N 312.757 -0.043 30 20 DBED Cc1nn(C)c(Cl)c1C(=O)NC[C@H]1CN(CC#N)C[C@H]1O 958296231 DGLVMIVOHCYCFZ-VHSXEESVSA-N 311.773 -0.072 30 20 DBED C#CCCN1C[C@H](CNC(=O)c2c(C)ncnc2O)[C@@H](O)C1 958345352 NDIIOJXTEIWENV-RYUDHWBXSA-N 304.350 -0.464 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2ccc3nonc3c2)C1 958360622 OBBONONHQALZSJ-SMDDNHRTSA-N 300.318 -0.122 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2cnn3ccc(C)nc23)C1 958599956 WCRGYHHOURKDKI-TZMCWYRMSA-N 313.361 -0.307 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2[C@H]3COC[C@H]32)C1 958930643 ZCLHMIMSQYZZQN-NLMKBYRWSA-N 307.350 -0.931 30 20 DBED O=C(Cn1ncnn1)NC1[C@H]2CN(CC#Cc3ccccc3)C[C@H]12 959909756 GAGJUDYZUIXHGG-GJZGRUSLSA-N 322.372 -0.229 30 20 DBED C=CCCN1C[C@H]2C(NC(=O)CN3CCN(C)C(=O)C3)[C@@H]2C1 960627309 CAHNYUMQOYPJCC-CHWSQXEVSA-N 306.410 -0.617 30 20 DBED C#CCCN1C[C@@H]2C(NC(=O)[C@@H]3Cc4cncn4C(=O)N3)[C@H]2C1 961312491 MIEOXGHURJFZEK-AVGNSLFASA-N 313.361 -0.565 30 20 DBED C#CCCN1C[C@H]2C(NC(=O)[C@@H]3Cc4cncn4C(=O)N3)[C@@H]2C1 961312496 MIEOXGHURJFZEK-UPJWGTAASA-N 313.361 -0.565 30 20 DBED C=CCN1C[C@H]2C(NC(=O)Cn3nc4ccccn4c3=O)[C@@H]2C1 961412885 OUZXPROHUJSOKX-VXGBXAGGSA-N 313.361 -0.272 30 20 DBED CCn1ccc(C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2O)n1 963013967 ZJBDGDDROSTUCD-KGLIPLIRSA-N 316.361 -0.382 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)Cn1ncnn1 963533798 GWMKTWLJDDVEGO-IJLUTSLNSA-N 317.353 -0.575 30 20 DBED C=C1CC(C)(C(=O)N[C@H]2CN(C(=O)Cn3cnnn3)C[C@H]2C)C1 966139351 RYFPRNMJGNUGNH-NEPJUHHUSA-N 318.381 -0.008 30 20 DBED C[C@@H]1CCN(CC#N)C[C@@H]1NC(=O)CN1CCN(C)C(=O)C1 967034650 RZIKTLINPRPIMM-OLZOCXBDSA-N 307.398 -0.889 30 20 DBED C[C@@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)[C@H]1COCCO1)C2 969803801 CXIOIEJLXZYYGG-ZDEQEGDKSA-N 307.350 -0.237 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2[C@@H]3CN(C(=O)Cn4cccn4)C[C@@H]32)[nH]1 976379980 GHLWESSMBLQPBG-JYAVWHMHSA-N 324.344 -0.030 30 20 DBED C=C(Cl)CN1CCCN(C(=O)C[C@@H]2NC(=O)NC2=O)CC1 981358294 IGKIAXGABJKOKK-JTQLQIEISA-N 314.773 -0.129 30 20 DBED Cn1cc(C(=O)N2CC3(CCCN(CC#N)C3)C2)ncc1=O 981901162 CMIGPHKCLZAARW-UHFFFAOYSA-N 301.350 -0.158 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](CNC(=O)c2ccc(=O)n(C)n2)C1 983211411 JICCGHAWEXXKIH-GHMZBOCLSA-N 317.349 -0.482 30 20 DBED Cn1ccc(C(=O)N[C@H]2CCN(C(=O)C#CC3CC3)C[C@@H]2O)n1 991498616 DDUOHPVDFBTXRW-JSGCOSHPSA-N 316.361 -0.475 30 20 DBED Cn1cc(C(=O)N[C@@]23CCC[C@@H]2N(CC#N)CC3)n(C)c1=O 992526051 LQERQDPWAGPIOP-SWLSCSKDSA-N 303.366 -0.026 30 20 DBED Cc1cnc2nc(C(=O)NC3CN(C(=O)[C@@H](C)C#N)C3)nn2c1 994423193 HUHODENEFPUAQO-VIFPVBQESA-N 313.321 -0.467 30 20 DBED C#CCN[C@H]1CN(C(=O)[C@H](C)N2C(=O)CCC2=O)CC1(C)C 995883536 UKTDVGDQVLQPFC-RYUDHWBXSA-N 305.378 -0.016 30 20 DBED C[C@@]1(C(=O)NC2CN(C(=O)c3cc(C#N)c[nH]3)C2)CNC(=O)C1 996255795 GFBRLESFRMDWNZ-HNNXBMFYSA-N 315.333 -0.647 30 20 DBED CCn1cc(CC(=O)NC2CN(C(=O)C#CC3CC3)C2)nn1 997618617 KJPWARXNJBBJGA-UHFFFAOYSA-N 301.350 -0.419 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CN[C@@H]2CCC(=O)NC2=O)CC1 997622763 DSGSOEDFIUAOOG-ZYHUDNBSSA-N 306.366 -0.221 30 20 DBED C#Cc1ccc(C(=O)N2CCN(C(=O)c3ncn(C)n3)CC2)cn1 1011091886 MVKCZUAEAPHJGR-UHFFFAOYSA-N 324.344 -0.210 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2ccc(S(N)(=O)=O)o2)C1 1015082415 CJFFUHHVHCCDIP-SNVBAGLBSA-N 311.363 -0.246 30 20 DBED C=CCN1CC[C@@H](N2CC[C@@H](NC(=O)Cc3cnc[nH]3)C2)C1=O 1015766521 YUJFHIGSOPKMDW-TZMCWYRMSA-N 317.393 -0.070 30 20 DBED N#Cc1ccc(C(=O)NCC2=CCN(C(=O)CC(N)=O)CC2)[nH]1 1017392335 WECPNLFOSSKZQY-UHFFFAOYSA-N 315.333 -0.350 30 20 DBED CC#CCN1[C@H]2CC[C@H]1CC(NC(=O)CN1CC(=O)NC1=O)C2 1021413477 NEMUXFGLJHKNKN-STQMWFEESA-N 318.377 -0.327 30 20 DBED Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2O)n1C 1023051278 SHIPDNBQAZFNRJ-IRUJWGPZSA-N 304.350 -0.205 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN2C)C1 1023207774 GFYVZOFBQAJGKP-FRRDWIJNSA-N 309.410 -0.019 30 20 DBED N#CCN1CC[C@H](CNC(=O)[C@H]2COCCN2CC(F)F)C1 1028712645 WMFHEFQVWPVYQM-VXGBXAGGSA-N 316.352 -0.086 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCCN([C@@H](CC)C(N)=O)C1 1030024746 TWOUZWVIRJNNGM-ILXRZTDVSA-N 320.437 -0.072 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCC1CN([C@H]2CCC(=O)NC2=O)C1 1031987169 WCJYKYSBZCWOKO-AGIUHOORSA-N 321.377 -0.569 30 20 DBED Cn1cnc2cncc(C(=O)NC[C@@H]3CN(CC#N)CCO3)c21 1035400788 SFAMXPUYRZEMFU-LLVKDONJSA-N 314.349 -0.078 30 20 DBED CC#CCN1CCO[C@@H](CNC(=O)[C@H]2CCN(C)C(=O)C2)C1 1035421408 ZOCTWHIONHGURX-KBPBESRZSA-N 307.394 -0.305 30 20 DBED N#CCN1CCO[C@@H](CNC(=O)C2CCC(C(N)=O)CC2)C1 1035422654 DNGOMXYHBKRBPU-BPCQOVAHSA-N 308.382 -0.381 30 20 DBED COc1ncnc(OC)c1C(=O)NC[C@@H]1CN(CC#N)CCO1 1035624186 MPFDRSNZLZRWFC-SNVBAGLBSA-N 321.337 -0.552 30 20 DBED N#CCN1CC2(CCN(C(=O)CC[C@H]3NC(=O)NC3=O)CC2)C1 1035850290 WLXTVIHNRKXZBP-LLVKDONJSA-N 319.365 -0.577 30 20 DBED C#CCN1CC[C@H]1CNC(=O)[C@@H]1CC[C@H](C(=O)N2CCCC2)O1 1038703644 BAAZVNQLVRSOLW-SOUVJXGZSA-N 319.405 -0.020 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2CCN2Cc2nc(O)n[nH]2)nn1 1038792615 XSMJVIFYHIRQKC-SECBINFHSA-N 318.341 -0.708 30 20 DBED C#CCNC1C[C@@H]2CCC[C@H](C1)N2C(=O)C[C@@H]1NC(=O)NC1=O 1039286477 WMTGOMCTGZVNAC-WVMKXHBISA-N 318.377 -0.281 30 20 DBED Cc1ncc(C(=O)NC[C@]2(O)CCN(C(=O)[C@H](C)C#N)C2)n1C 1040654626 VBNBGVHOIHKACD-MEBBXXQBSA-N 319.365 -0.419 30 20 DBED N#Cc1cncc(N2C[C@@H](O)[C@H](NC(=O)C3=CCOCC3)C2)n1 1040997845 NSZVHSNMPJPAPV-CHWSQXEVSA-N 315.333 -0.639 30 20 DBED Cc1n[nH]cc1C(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@H]1O 1041271279 WOISOMCCXCBSJQ-TZMCWYRMSA-N 312.333 -0.036 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)CCCC(C)=O)C1 1041449951 JLPAWEXOSZRHBP-UHFFFAOYSA-N 324.377 -0.525 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)c2ccon2)C1 1041707414 ZQUZTLLVCVTXDL-UHFFFAOYSA-N 307.306 -0.982 30 20 DBED CC(C)[C@@H](O)C(=O)N1CC(O)(CNC(=O)c2cc(C#N)c[nH]2)C1 1042391572 ILUXBVYSYCLVOZ-GFCCVEGCSA-N 320.349 -0.794 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)CCc2nc[nH]n2)C1 1042418081 AMFKWHUTBJANCY-UHFFFAOYSA-N 321.381 -0.361 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)c2cnn(C)c2N)C1 1042801973 ATEOIWJYTMXZLA-UHFFFAOYSA-N 319.365 -0.891 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2CC)C1 1043035851 FLOZTDGNGHODCO-CHWSQXEVSA-N 308.378 -0.238 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]2C2CC2)C1 1043231374 CUFKISQHGRHQGF-FPMFFAJLSA-N 320.389 -0.240 30 20 DBED C=C(C)CCC(=O)NCC1(O)CN(C(=O)C(C)(C)C(N)=O)C1 1043314961 KRGQUNNHJGZYEX-UHFFFAOYSA-N 311.382 -0.456 30 20 DBED C=CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)[C@@H]2CCOC2)C1 1043568701 BJPJYABPSRCOIV-NWDGAFQWSA-N 312.366 -0.697 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H]2CN(c3cncc(C#N)n3)C[C@@H]21 1043681806 RXLOZUXHJHDXSI-WCFLWFBJSA-N 312.333 -0.076 30 20 DBED COCC(C)(C)CC(=O)NCC1(O)CN(C(=O)[C@H](C)C#N)C1 1043955461 LMVMTNOBZPXYMG-LLVKDONJSA-N 311.382 -0.102 30 20 DBED Cc1c[nH]cc1C(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1043957182 CDLBNTMYWZJXDV-OLZOCXBDSA-N 312.333 -0.036 30 20 DBED Cc1nonc1C(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@@H]1O 1044028927 RZSXPWHTUZVMNQ-MNOVXSKESA-N 314.305 -0.376 30 20 DBED C[C@H]1C[C@H](NCC#N)CCN1C(=O)CN1C(=O)NC(=O)C1(C)C 1044810527 VDYCLDBQHWKOOJ-WDEREUQCSA-N 321.381 -0.191 30 20 DBED C=CCCCC(=O)N1CC(O)(CNC(=O)C(=O)NCC2CC2)C1 1045351676 LZNWSEQBXIGOEV-UHFFFAOYSA-N 323.393 -0.442 30 20 DBED C=CCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CN(C)C(=O)N2)C1 1045462428 FJKOQTGHMVNEGJ-NSHDSACASA-N 324.381 -0.944 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)C[C@H]2CCCCO2)C1 1045539955 BKBAUCVYYOSRCO-NWDGAFQWSA-N 309.366 -0.205 30 20 DBED C=C[C@](C)(CC)C(=O)NCC1(O)CN(C(=O)c2nnn(C)n2)C1 1045782660 IMVGWEZBCDIFCV-CYBMUJFWSA-N 322.369 -0.885 30 20 DBED C=CCN1[C@H]2CC[C@H]1CN(C(=O)CN1CCNC(=O)C1)CC2 1045825774 LOQIKSNTRLTSQO-KBPBESRZSA-N 306.410 -0.331 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)CCc2cnccn2)C1 1046541568 DOXZPSBQIUBHRZ-NSHDSACASA-N 317.349 -0.742 30 20 DBED CN1CCO[C@@H](C(=O)NC[C@H]2CN(CC#N)CCC2(F)F)C1 1046926325 OXKINGWRGATDSA-NWDGAFQWSA-N 316.352 -0.086 30 20 DBED CC(C)N1C[C@@H](C(=O)N(C)[C@H]2CN(CC#N)C[C@@H]2O)CC1=O 1047399821 OYDKBHSLWUYFFM-AVGNSLFASA-N 308.382 -0.730 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@]2(C)CCN(C(C)=O)C2)C1 1047590069 WXMGNXDOMVCQOQ-YQQAZPJKSA-N 321.421 -0.228 30 20 DBED CN(C(=O)c1ncoc1-c1ccon1)[C@H]1CN(CC#N)C[C@@H]1O 1047598529 NEIPYMXCZDLLCE-QWRGUYRKSA-N 317.305 -0.030 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)NC(C)=O)C1 1048135936 KBALQPMMBODLAC-WXHSDQCUSA-N 311.382 -0.493 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cn(C)nn2)C1 1048790110 NMMMREOMCBWIGY-RYUDHWBXSA-N 307.354 -0.575 30 20 DBED Cc1nonc1C(=O)N(C)[C@H]1CN(C(=O)C#CC(C)C)C[C@@H]1O 1049035361 QLBDISUQTKUTME-RYUDHWBXSA-N 320.349 -0.319 30 20 DBED C#CCN1C[C@H]2CN(C(=O)[C@H]3CN(C(C)=O)CCO3)C[C@H]2C1 1049197652 MKGFUAYMKGTPGT-QLFBSQMISA-N 305.378 -0.743 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H]2[C@@H]1CCN2Cc1nnn(C)n1 1049382464 ODCKSDYHRFFMHN-WOPDTQHZSA-N 303.370 -0.065 30 20 DBED Cc1nn(CC(=O)N2CCC[C@@H]3[C@H]2CCN3CC#N)c(=O)n1C 1049870793 NWNCJNIDVUXHHV-CHWSQXEVSA-N 318.381 -0.521 30 20 DBED CNC(=O)CC(=O)N[C@@H](C)[C@@H]1CCN(C(=O)C#CC2CC2)C1 1050666134 OHIFCKNQYHIILC-WCQYABFASA-N 305.378 -0.111 30 20 DBED C=CCN1CCOC[C@H]1CNC(=O)[C@H]1CCc2nnc(O)n2C1 1050989426 OYSZFGKIHMZPRZ-NWDGAFQWSA-N 321.381 -0.451 30 20 DBED N#Cc1cnc(N2CC[C@@H](NC(=O)c3cnco3)[C@@H](O)C2)cn1 1051755957 VYPKHXMSLVQFGT-MNOVXSKESA-N 314.305 -0.294 30 20 DBED C=CCN1CCN([C@@H]2CCN(C(=O)[C@H]3COCCO3)C2)CC1 1051986532 HLTYBTCBYWUAFV-HUUCEWRRSA-N 309.410 -0.194 30 20 DBED C=CCN1CCN([C@@H]2CCN(C(=O)[C@H]3CCNC(=O)C3)C2)CC1 1052011401 SEPPJQMGECNKKJ-LSDHHAIUSA-N 320.437 -0.083 30 20 DBED C=CCCN1CC2(C1)CN(C(=O)[C@H]1CC(=O)N(C)C1)CCO2 1053279049 FAEYFAOOJHTKHQ-ZDUSSCGKSA-N 307.394 -0.046 30 20 DBED C#CCN1CC2(CC[C@@H](CNC(=O)c3cn(CC)nn3)O2)C1 1053685464 QGZXGDDRINFQRE-LBPRGKRZSA-N 303.366 -0.106 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)[C@@H]3CC(=O)N(CC)C3)CO2)C1 1053822237 JMRHMZGTMPHIAC-OLZOCXBDSA-N 305.378 -0.553 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)[C@H]3CCCN3C(C)=O)CO2)C1 1054019577 YPRGHEXRBRAQDE-UONOGXRCSA-N 305.378 -0.410 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CN(C(=O)C(=O)NCC3CC3)C[C@H]2C1 1055444484 XAYBCXGPRJIRID-RTXFEEFZSA-N 318.377 -0.411 30 20 DBED N#Cc1nccc(N2CCN(C(=O)[C@@H]3CCNC(=O)C3)CC2)n1 1055753372 XONZLDOIZIBRLT-LLVKDONJSA-N 314.349 -0.477 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@](CO)(NC(=O)CCN(C)C)C1 1056103801 SMHCLGBAFUQAOD-IUODEOHRSA-N 310.398 -0.433 30 20 DBED N#Cc1ccc(N2C[C@@H]3C(NC(=O)Cn4ncnn4)[C@H]3C2)cn1 1056310394 SEKKSGUTXBKIMD-RYUDHWBXSA-N 310.321 -0.809 30 20 DBED N#Cc1ccc(N2C[C@@H]3C(NC(=O)[C@H]4C[C@H]4C(N)=O)[C@H]3C2)cn1 1056406147 BCPBHTJNWSSJAU-VOAKCMCISA-N 311.345 -0.375 30 20 DBED Cc1cc(C#N)nc(N(C)[C@@H]2CCN(C(=O)CC(N)=O)C2)n1 1056878181 PIGCAYOVMDUWKN-LLVKDONJSA-N 302.338 -0.431 30 20 DBED Cn1cc(CC(=O)N(CCO)CCNC(=O)C#CC2CC2)cn1 1057165042 YBYRSOHVDKAZCE-UHFFFAOYSA-N 318.377 -0.687 30 20 DBED C#CCNC(=O)CC(=O)NCCN(CCO)C(=O)C1CC(C)C1 1057316458 RAEREWSFTDOTOV-UHFFFAOYSA-N 323.393 -0.891 30 20 DBED Cn1cncc1C(=O)NCCN(CCO)C(=O)C#CC1CC1 1057535938 IDZNHIOOICBCMQ-UHFFFAOYSA-N 304.350 -0.616 30 20 DBED CC[C@@H]1[C@@H](C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N)CCN1C 1057743130 ADVNBIUOPAUZPL-MELADBBJSA-N 324.425 -0.187 30 20 DBED Cc1cnn(CCC(=O)N(CCO)CCNC(=O)[C@@H](C)C#N)c1 1057860941 AVRQCAIYWPTADO-ZDUSSCGKSA-N 321.381 -0.322 30 20 DBED N#Cc1nccnc1N1CC[C@@H](NC(=O)C[C@@H]2COC(=O)C2)C1 1058339532 UWFZKVYJIUWHDN-WDEREUQCSA-N 315.333 -0.004 30 20 DBED CCn1ncc(C(=O)N[C@@H]2CCN(c3cnc(C#N)cn3)C2)n1 1058353334 CWNZGWWPJULIKA-SNVBAGLBSA-N 312.337 -0.032 30 20 DBED CN1C[C@@H](C(=O)N[C@@H]2CCN(c3nccnc3C#N)C2)CC1=O 1058578607 XEYRYNOEHVWTGG-WDEREUQCSA-N 314.349 -0.479 30 20 DBED Cc1ncncc1C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N 1058653480 WGVLDDSSDQZTEP-JTQLQIEISA-N 305.338 -0.505 30 20 DBED CCc1nc(C(=O)NCCN(CCO)C(=O)[C@H](C)C#N)co1 1058653584 ZFTUKWABZDKZKA-SNVBAGLBSA-N 308.338 -0.053 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@H](C)C#N 1058873725 CMMIRXITXKTLMD-UPJWGTAASA-N 309.366 -0.326 30 20 DBED N#Cc1nc(=N[C@H]2C[C@H](NC(=O)c3cncnc3O)C2)cc[nH]1 1059331351 QXFLWLWECGKNTA-KYZUINATSA-N 311.305 -0.361 30 20 DBED C=CCOCCCC(=O)NCC[C@@H]1CCN(C(=O)C(N)=O)C1 1060271611 RIRWBUJRGSVRIT-GFCCVEGCSA-N 311.382 -0.191 30 20 DBED C=CCCC(=O)N1CCOC[C@H]1CNC(=O)Cc1nc[nH]n1 1061919974 UEDUIOVWUADCCL-LLVKDONJSA-N 307.354 -0.343 30 20 DBED N#Cc1nccc(N2[C@H]3CC[C@H]2CN(C(=O)Cn2nccn2)C3)n1 1061995201 WQROGAILQVPBKB-RYUDHWBXSA-N 324.348 -0.180 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(NC(=O)Cc2nc[nH]n2)CCC1 1063043657 TWPOCHAVQUFQSA-NSHDSACASA-N 319.365 -0.459 30 20 DBED N#Cc1c[nH]ccc1=NCC[C@@H]1CCCN(C(=O)C(N)=O)C1 1063293472 XZJLLYFOHWWXNC-NSHDSACASA-N 301.350 -0.099 30 20 DBED Cc1nn[nH]c1C(=O)N[C@H]1[C@H]2C[C@H]1N(c1ccc(C#N)nn1)C2 1064324798 OVIRVHTZBQLPRA-PLMOITTCSA-N 310.321 -0.218 30 20 DBED C=CCCC(=O)N1CCO[C@@H](CNC(=O)Cn2cnnc2O)C1 1064955523 HWUDNPVPRMVRKR-NSHDSACASA-N 323.353 -0.707 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CN(C(=O)Cc2ccnn2C)CCO1 1065093126 RLUAVWVCDWNEKH-WCQYABFASA-N 319.365 -0.534 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)[C@@H]2CCN(C)C2)CCO1 1065169618 OSPMJVFEDSJZIN-CABCVRRESA-N 321.421 -0.059 30 20 DBED C#CCOCCC(=O)N1CCC[C@@H](NC(=O)CNC(C)=O)CC1 1065776431 FFTRACQVAMYGBG-CQSZACIVSA-N 323.393 -0.340 30 20 DBED Cn1cnc(C(=O)N2C[C@@H]3CN(c4ccnc(C#N)n4)C[C@@H]3C2)n1 1065999392 RABBOWHBRJFPTR-PHIMTYICSA-N 324.348 -0.315 30 20 DBED C#CCOCCC(=O)N1CC2(C[C@@H](NC(=O)C3CC3)CO2)C1 1068641684 GGJQCPLYAFKWCT-CYBMUJFWSA-N 306.362 -0.078 30 20 DBED C[C@@H]1[C@H](N=c2cc[nH]c(C#N)n2)CCN1C(=O)CS(C)(=O)=O 1068773876 HUBXYZIEKNVCRI-NXEZZACHSA-N 323.378 -0.784 30 20 DBED C[C@H]1C[C@@H](Nc2cnc(C#N)cn2)CN1C(=O)CS(C)(=O)=O 1069038982 AHTMQWYUCFMVIG-VHSXEESVSA-N 323.378 -0.206 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)[C@H](C)CC(N)=O)CCOCC1 1070186478 ZRICMBILBRGNCL-MNOVXSKESA-N 324.381 -0.561 30 20 DBED N#CCN[C@@H]1CN(C(=O)CCc2cnc[nH]2)C[C@@H]1n1ccnn1 1070207697 JSNBVYMEYDSNKC-OLZOCXBDSA-N 314.353 -0.501 30 20 DBED CNC(=O)NCC(=O)N1CCC[C@@H](NC(=O)C#CC(C)C)C1 1070856257 OPDFWGZIGJWDEH-GFCCVEGCSA-N 308.382 -0.318 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(=O)NCCN(Cc2ccon2)CC1 1070947501 YYZRIYACRDYLPG-LBPRGKRZSA-N 319.365 -0.015 30 20 DBED Cc1nc(O)[nH]c1C(=O)N1CCC(=O)NCCN(CC#N)CC1 1070971747 PMLMMHZVXVZNTG-UHFFFAOYSA-N 320.353 -0.789 30 20 DBED Cn1cnc(C(=O)N2CCC([C@@H]3OCC[C@H]3NCC#N)CC2)n1 1071054185 DLSNOPSSYAKHSH-OLZOCXBDSA-N 318.381 -0.062 30 20 DBED N#CCN1CCN([C@H]2CCCN(C(=O)[C@H]3CCOC3)C2)C(=O)C1 1071255121 GHSLKBGUSYIGOP-KBPBESRZSA-N 320.393 -0.318 30 20 DBED CC#CCN1C[C@@H](NC(=O)CN2CCOCC2=O)CC[C@@H]1C 1071575243 UFXHDGONVZCYSN-KBPBESRZSA-N 307.394 -0.162 30 20 DBED C=CCOCC(=O)N1C[C@H](C)[C@@H](NC(=O)C2(C(=O)NC)CC2)C1 1071809549 WEADBBKTVGJJQC-RYUDHWBXSA-N 323.393 -0.322 30 20 DBED C#CCN1C[C@H](NC(=O)CN2CC(=O)N(C)C2=O)CC[C@@H]1C 1071987258 BROCOCSSQJHLSC-NWDGAFQWSA-N 306.366 -0.517 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCN([C@H]3CCC(=O)NC3=O)C2)C1 1072553186 WOUUGLPGYPMIQA-QWRGUYRKSA-N 304.350 -0.514 30 20 DBED C#Cc1cncc(C(=O)NC[C@H]2CN(CCO)CCCO2)c1 1073762742 LOQKPTITIAQVNO-HNNXBMFYSA-N 303.362 -0.124 30 20 DBED CC#CCN1CCCO[C@H](CNC(=O)c2ccc(=O)n(C)n2)C1 1073880274 DIPJVIIQRPYBHA-CYBMUJFWSA-N 318.377 -0.376 30 20 DBED CC#CCN1CCO[C@@H]2CCN(C(=O)Cn3cnnc3O)C[C@H]21 1074218663 CCZPXFVUKGZTNM-CHWSQXEVSA-N 319.365 -0.691 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(O)(CNC(=O)c2cn[nH]c2)CC1 1074704655 FMZODEUMYZARIF-JTQLQIEISA-N 305.338 -0.347 30 20 DBED C[C@H](C#N)C(=O)N1CCC(O)(CNC(=O)CC(C)(C)O)CC1 1074705775 ZAYSFHBVVMVQIA-LLVKDONJSA-N 311.382 -0.223 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](NC(=O)CCOC)C[C@H]1C 1074756637 KCUJCSUJVMPNAM-OLZOCXBDSA-N 323.393 -0.342 30 20 DBED C=CCCO[C@H](C)C(=O)NCC[C@H](C)NC(=O)c1nnn(C)n1 1075850748 NCLRWFFPIQEIKH-WDEREUQCSA-N 324.385 -0.184 30 20 DBED C#CCN[C@H]1C[C@H](NC(=O)C2CC(=O)NC(=O)C2)C12CCC2 1078748726 DNDYFXMSWUPQTB-RYUDHWBXSA-N 303.362 -0.311 30 20 DBED C=CCCO[C@H](C)C(=O)N(CC)C1CN(C(=O)CC(N)=O)C1 1079445318 QZKNJFJOKMRQDQ-LLVKDONJSA-N 311.382 -0.098 30 20 DBED COCCN1C[C@H](C(=O)N[C@@H]2CN(CC#N)C[C@H]2C)CC1=O 1079795864 COPXFGIVTGYYRW-JHJVBQTASA-N 308.382 -0.559 30 20 DBED CCOCC(=O)NC[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1O 1081221435 UFZZEUVYBRZDAD-WCQYABFASA-N 320.349 -0.528 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)Cc2cncn2C)C[C@H]1O 1081336046 SHFPNGWNQHLMHK-TZMCWYRMSA-N 320.393 -0.136 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2nonc2C)C[C@@H]1O 1081340484 CWAJQXKJKKXLIW-QWRGUYRKSA-N 324.337 -0.870 30 20 DBED C=C(C)CCC(=O)NC[C@@H]1CN(C(=O)Cn2nccn2)C[C@@H]1O 1081533406 KJXKVRUEULEWJF-OLZOCXBDSA-N 321.381 -0.430 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2cnco2)C1 1081623247 JAHVEEMKVVSGCF-VXGBXAGGSA-N 305.334 -0.117 30 20 DBED CC(C)C#CC(=O)N1C[C@H](CNC(=O)c2ncccn2)[C@@H](O)C1 1081688526 SYSVGQXJWPPYCN-STQMWFEESA-N 316.361 -0.315 30 20 DBED C#CCCN1CC[C@@H]2CN(C(=O)Cn3c(O)nnc3O)[C@@H]2C1 1084798873 HECQSHRZOZZEAL-GHMZBOCLSA-N 305.338 -0.755 30 20 DBED CN(C[C@@H]1CCN1Cc1nnnn1C)C(=O)c1c[nH]c(C#N)c1 1085551645 FNKSAGMMAHOUPG-LBPRGKRZSA-N 314.353 -0.244 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)C[C@H]1c1cnn(C)c1 1087006854 ZTCQXAALMIJLGV-MELADBBJSA-N 315.377 -0.784 30 20 DBED COc1ccc(CC(=O)N[C@@H]2CCN(CC#N)C[C@H]2O)nc1 1090509674 GVHAKYOAHHSZDV-ZIAGYGMSSA-N 304.350 -0.292 30 20 DBED CN(C)CCCC(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1O 1090523760 OQUKVVIYYCAYTM-CHWSQXEVSA-N 318.381 -0.644 30 20 DBED CO[C@@H]1CN(c2nccnc2C#N)C[C@H]1NC(=O)[C@H](O)C(C)C 1090881169 BSLPFWYXSWGYSV-JHJVBQTASA-N 319.365 -0.315 30 20 DBED N#CCN1CC(OC2CCN(C(=O)[C@@H]3CCNC(=O)C3)CC2)C1 1093526354 ZEBYTAKFTZJAIP-GFCCVEGCSA-N 320.393 -0.272 30 20 DBED N#Cc1cccnc1NCCNC(=O)C[C@H]1CC(=O)NC1=O 1093716964 APKWNGMAIWASBM-JTQLQIEISA-N 301.306 -0.466 30 20 DBED Cc1cnc2nc(C(=O)NCCNc3cncc(C#N)n3)nn2c1 1093941750 CWHROKCGWJATHQ-UHFFFAOYSA-N 323.320 -0.064 30 20 DBED COc1c[nH]c(C(=O)NCCNc2nccnc2C#N)cc1=O 1093994044 VRZKOEGFIZNHLV-UHFFFAOYSA-N 314.305 -0.113 30 20 DBED Cc1cc(=NCCNC(=O)[C@@H]2CN(C)C(=O)N2)c(C#N)c[nH]1 1094060921 UNESZKRSPGMDRS-LBPRGKRZSA-N 302.338 -0.765 30 20 DBED C#Cc1cncc(C(=O)NCCNc2ccc3nnnn3n2)c1 1094126539 NFTYVLLJRWNNRW-UHFFFAOYSA-N 308.305 -0.263 30 20 DBED CC#CCN1CC(N2C[C@H](NC(=O)Cc3ccc[nH]3)CC2=O)C1 1094817187 KNNUWVRTPNBWGW-CQSZACIVSA-N 314.389 -0.018 30 20 DBED C=CCOCC(=O)N1CC[C@@H](N(C)c2ccc3nnnn3n2)C1 1095096885 HHZWPMUWOOEVPB-LLVKDONJSA-N 317.353 -0.241 30 20 DBED CC(C)(C(N)=O)C(=O)N[C@H]1CCCN(c2nccnc2C#N)C1 1096212516 YLXHIXNXTTURTM-JTQLQIEISA-N 316.365 -0.055 30 20 DBED N#Cc1cnc(N2CC[C@H](NC(=O)C(=O)NCC(F)F)C2)cn1 1096446439 MIRTWPQWZLXEBB-QMMMGPOBSA-N 324.291 -0.576 30 20 DBED C[C@@H](NC(=O)CC(N)=O)[C@H]1CCCN(c2cnc(C#N)cn2)C1 1097519698 YTBKXIOBVCOLAD-MNOVXSKESA-N 316.365 -0.055 30 20 DBED C=CCCN(CCO)C1CCN(C(=O)[C@@H]2COC(=O)N2)CC1 1098360137 YDBBVORVMPKLPZ-ZDUSSCGKSA-N 311.382 -0.044 30 20 DBED CC(=O)NCC(=O)N1CC[C@@H](CNc2cnc(C#N)cn2)C1 1098494742 FDAZTIKOBRELPS-NSHDSACASA-N 302.338 -0.255 30 20 DBED N#Cc1cccnc1NC[C@H]1CCN(C(=O)CNC(N)=O)C1 1098501217 UBYFCMHTDZVKQP-SNVBAGLBSA-N 302.338 -0.118 30 20 DBED C#CCNCc1cn([C@@H]2CCN(C(=O)c3ccncn3)C2)nn1 1098751447 NJOAZWZPGROPQM-CYBMUJFWSA-N 311.349 -0.122 30 20 DBED Cn1cncc1CN1CC[C@H](NC(=O)CSCC#N)[C@@H](O)C1 1099690470 PBLJAZXQISPHKY-STQMWFEESA-N 323.422 -0.272 30 20 DBED O=C(C#CC1CC1)N[C@H]1CCN(Cc2ncccn2)C[C@H]1O 1099823770 JYBSWBSVODSVCG-UONOGXRCSA-N 300.362 -0.059 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCN(Cc2nc(C)no2)C[C@H]1O 1099833056 QOOHUZQDXSIPOI-CHWSQXEVSA-N 322.365 -0.531 30 20 DBED C#CCCN1CC[C@H](NC(=O)CCCCNC(N)=O)[C@@H](O)C1 1099908359 CACVCDCEVMRUHD-STQMWFEESA-N 310.398 -0.600 30 20 DBED CN(CCNC(=O)CN1CCCC1=O)c1cnc(C#N)cn1 1099922196 SLGFCJJNESAQRR-UHFFFAOYSA-N 302.338 -0.477 30 20 DBED CC#CCN1CC[C@@H](NC(=O)COC2CCOCC2)[C@H](O)C1 1100024727 OSHGCNUFJRSXJN-HUUCEWRRSA-N 310.394 -0.243 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)Cc2ccco2)[C@@H](O)C1 1100042178 VMBXLHOKBYOSSV-KGLIPLIRSA-N 319.361 -0.877 30 20 DBED CC#CCN1CC[C@H](NC(=O)CCn2cnccc2=O)[C@H](O)C1 1100051092 SBGNNVACVXBPCM-UONOGXRCSA-N 318.377 -0.792 30 20 DBED C#CCCN1CC[C@H](NC(=O)CS(=O)(=O)CCC)[C@@H](O)C1 1100114976 XETOSVVVYVMVCT-STQMWFEESA-N 316.423 -0.614 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)N[C@H]1CCN(CC)C[C@@H]1O 1100129810 SJINDHPCASQADY-RYUDHWBXSA-N 312.414 -0.179 30 20 DBED CCC(CC)C(=O)NCC(=O)N[C@H]1CCN(CC#N)C[C@@H]1O 1100148553 JWIQTXVBTIVBDB-STQMWFEESA-N 310.398 -0.386 30 20 DBED N#CCNC(=O)CNC1CC(CNC(=O)c2ccncc2F)C1 1100215380 LOIQIGKCGIZURZ-UHFFFAOYSA-N 319.340 -0.042 30 20 DBED COc1cc(C(=O)NCC2CC(NCC(=O)NCC#N)C2)on1 1100258721 NECQKIJIHGQGHM-UHFFFAOYSA-N 321.337 -0.579 30 20 DBED CC#CCNC1CC(CNC(=O)Cn2ccc(O)nc2=O)C1 1100485305 MOTYUQYLGRFSKJ-UHFFFAOYSA-N 304.350 -0.543 30 20 DBED Cn1cnc(C(=O)NCCN(c2cnc(C#N)cn2)C2CC2)n1 1101336337 YHVSXMRROQWIGP-UHFFFAOYSA-N 312.337 -0.124 30 20 DBED CC(=O)NCC(=O)N1C[C@@H]2CC[C@H](C1)N2c1ccc(C#N)nn1 1102183100 ZHPLSLIYAYIMLM-BETUJISGSA-N 314.349 -0.336 30 20 DBED C#CCN1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2COCCN2C(C)=O)C1 1103738801 DSNWUUYGLFMQKE-BMFZPTHFSA-N 321.421 -0.059 30 20 DBED C[C@@H](CN=c1cc[nH]cc1C#N)CNC(=O)[C@H]1CCC(=O)N1 1103901972 QQERGSIZBBHFGV-GXFFZTMASA-N 301.350 -0.182 30 20 DBED COCCO[C@@H](C)C(=O)NC[C@H](C)CN=c1cc[nH]c(C#N)n1 1104073511 LVCZUZOOONWMCI-NEPJUHHUSA-N 321.381 -0.014 30 20 DBED C[C@@H](CNC(=O)c1c[nH]c(=O)cn1)CNc1cnc(C#N)cn1 1104167286 QZSYRRIPBCTNBP-SECBINFHSA-N 313.321 -0.090 30 20 DBED C[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)N2)C[C@H]1CCNCC#N 1105023123 OXVZRODBGXEIFE-IJLUTSLNSA-N 314.411 -0.724 30 20 DBED C#CCNCC[C@@H]1CN(C(=O)CS(=O)(=O)NC)C[C@H]1C 1105025446 VJSCLJBNTIPWSZ-VXGBXAGGSA-N 301.412 -0.757 30 20 DBED CO[C@@H](C)CNCc1cn(C2CN(C(=O)[C@@H](C)C#N)C2)nn1 1105190380 VKHXFJHOFWXJKJ-QWRGUYRKSA-N 306.370 -0.054 30 20 DBED CC#CCNCc1cn(C2CN(C(=O)c3cnon3)C2)nn1 1105345903 PPUMLGXVBOQSIT-UHFFFAOYSA-N 301.310 -0.529 30 20 DBED Cn1ccc(C(=O)NC[C@@H](O)CNc2nccnc2C#N)c1 1105792407 OBENVMJARSXKIJ-NSHDSACASA-N 300.322 -0.110 30 20 DBED Cc1cc(=NCC[C@H](C)NC(=O)CNC(N)=O)c(C#N)c[nH]1 1106196669 SSPNNYULIFTBIH-VIFPVBQESA-N 304.354 -0.341 30 20 DBED N#Cc1nc(=NC/C=C/CNC(=O)CCn2cncn2)cc[nH]1 1107043871 KHFJBNJSKUEEDH-OWOJBTEDSA-N 312.337 -0.464 30 20 DBED C#CCN1CC(n2cc(CNC(=O)[C@]3(C)CCC(=O)N3)nn2)C1 1107209048 FEMUYTLGLDTRRO-HNNXBMFYSA-N 316.365 -0.947 30 20 DBED Cc1cc(=NC/C=C/CNC(=O)[C@H]2CCNC2=O)c(C#N)c[nH]1 1107452104 PRXBKGWZSAKHPR-YWVDXFKGSA-N 313.361 -0.096 30 20 DBED CNC(=O)CN1CCO[C@@](C)(CNC(=O)C#CC(C)(C)C)C1 1107934600 GKZMGMFZOAJKCA-INIZCTEOSA-N 309.410 -0.011 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@]1(C)CN(CC(N)=O)CCO1 1108226489 WUXREXUSWKNMAO-TYNCELHUSA-N 311.382 -0.730 30 20 DBED C[C@]1(CNC(=O)CNC(=O)C2CCC2)CN(CC#N)CCO1 1108419055 AFQNOZPXGWNCBE-HNNXBMFYSA-N 308.382 -0.367 30 20 DBED C[C@@H](CNc1nccnc1C#N)NC(=O)[C@H](C)N1CCOCC1 1108434957 CGFSAQPZAKGXGQ-RYUDHWBXSA-N 318.381 -0.014 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)CCn3ccnc3)CC2=O)C1 1108559412 UYLXBEIBONKVJL-ZDUSSCGKSA-N 317.393 -0.140 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)C3(CN(C)C)CC3)CC2=O)C1 1108566288 HJROFKSKDDZMEJ-ZDUSSCGKSA-N 318.421 -0.637 30 20 DBED C[C@H](CN(C)c1ccnc(C#N)n1)NC(=O)[C@@H]1COCCN1C 1108943432 RSWSMIFELIMGME-NEPJUHHUSA-N 318.381 -0.380 30 20 DBED CN(CCCN=c1cc[nH]cc1C#N)C(=O)[C@@H]1CCNC1=O 1109578581 IHPRHJXEYIADDX-GFCCVEGCSA-N 301.350 -0.228 30 20 DBED C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCN1CCNC1=O 1110390696 ZNPKBJDJEYJROE-MCIONIFRSA-N 322.409 -0.064 30 20 DBED CC(=O)N[C@H](C)C(=O)N[C@]1(C)CCN(c2cnc(C#N)cn2)C1 1110717186 QSAYOKQAGMCPRZ-MEBBXXQBSA-N 316.365 -0.042 30 20 DBED CC(C)(O)CC(=O)NC[C@]1(O)CCN(c2ccnc(C#N)n2)C1 1111066088 MJFQCZIJSMMAHO-OAHLLOKOSA-N 319.365 -0.433 30 20 DBED COC(=O)NCC(=O)N1C[C@H](C)[C@H](Nc2ccc(C#N)nn2)C1 1112298265 QYVLDAYNBNTCTK-GXSJLCMTSA-N 318.337 -0.037 30 20 DBED C[C@H](C(=O)N1CCN(CC(=O)NCC#N)CC1)C(F)(F)F 1113211375 KSDJQDXKIHHJST-SECBINFHSA-N 306.288 -0.031 30 20 DBED C[C@H](NC(=O)CC(=O)N(C)C)[C@@H](C)N=c1cc[nH]c(C#N)n1 1113318851 DFLDWUUVRWFGBW-ZJUUUORDSA-N 304.354 -0.446 30 20 DBED C=CCCCN1CCN(C(=O)CNS(=O)(=O)N(C)C)CC1 1113391705 PMOMLMHNKZRCMV-UHFFFAOYSA-N 318.443 -0.507 30 20 DBED Cc1cccnc1C(=O)NC1[C@H]2CN(CC(=O)NCC#N)C[C@H]12 1114123375 YQSHBLURXPHTRF-RYUDHWBXSA-N 313.361 -0.310 30 20 DBED C=CCOCCN1C[C@H]2C(NC(=O)[C@@H]3COCCN3C)[C@@H]2C1 1114146817 JBAHCPOZIGBGBV-MCIONIFRSA-N 309.410 -0.434 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)C#CC(C)C)[C@H]2C1 1114234611 NVDYFSIHDDYOHM-TTZDDIAXSA-N 301.390 -0.170 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3ccc(C)nn3)[C@H]2C1 1114244891 GSHNNEQLLQDXKQ-JYAVWHMHSA-N 315.377 -0.253 30 20 DBED N#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3cc(F)c[nH]3)[C@H]2C1 1114581853 NIMTYKJXSWYLEB-IWIIMEHWSA-N 305.313 -0.546 30 20 DBED CNC(=O)CC(=O)N1C[C@H](CN=c2cc[nH]c(C#N)n2)C[C@@H]1C 1114678435 SNVZEPTYVAVPLN-QWRGUYRKSA-N 316.365 -0.445 30 20 DBED COCC#CCN1C[C@@H]2C(NC(=O)COc3cnn(C)c3)[C@H]2C1 1114741104 IVWBITCUYHZIJB-KBPBESRZSA-N 318.377 -0.505 30 20 DBED Cc1nc(C(=O)N[C@H]2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]32)c(C)o1 1115011276 TYWNPQSENBWNBS-YABSGUDNSA-N 317.349 -0.409 30 20 DBED C#CCNC(=O)CCNCCS(=O)(=O)C1CCOCC1 1118090431 IKKOBHVWPVQUKT-UHFFFAOYSA-N 302.396 -0.691 30 20 DBED COC[C@@H]1CCCCN1C(=O)C(=O)N1CC[C@](O)(CC#N)C1 1118250964 ZLMGZROWHQPIKA-SWLSCSKDSA-N 309.366 -0.109 30 20 DBED COC[C@@H]1CCN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1 1119005004 IYWVJGVJEDFQHO-OCCSQVGLSA-N 320.393 -0.320 30 20 DBED N#Cc1nc(=N[C@@H](CO)CNC(=O)c2ccncc2F)cc[nH]1 1121405317 MFPMUMYYOPIFGA-SECBINFHSA-N 316.296 -0.493 30 20 DBED Cc1cn(C)nc1C(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1 1121446749 PQAFSCZHVKECPN-JTQLQIEISA-N 315.337 -0.985 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)CN2CCCC2)nc1 1121580096 FQXAIOBAQOOMGU-ZDUSSCGKSA-N 303.366 -0.062 30 20 DBED C[C@@H]1CCCN1CC(=O)NC[C@H](CO)Nc1nccnc1C#N 1122527243 NZXUAGYLATVMCP-VXGBXAGGSA-N 318.381 -0.278 30 20 DBED Cc1nnccc1C(=O)NC[C@H](CO)N=c1cc[nH]cc1C#N 1122851376 XPGJLUOLGFPGBM-GFCCVEGCSA-N 312.333 -0.324 30 20 DBED COC[C@H](C)C(=O)N(C)C[C@@H](O)CNc1cnc(C#N)cn1 1124195824 BQSWLXWVHYHTGD-JQWIXIFHSA-N 307.354 -0.138 30 20 DBED C[C@H](C#N)C(=O)NCCNC[C@@H]1CCN(S(C)(=O)=O)C1 1124894769 BNHCDYIQIZUCPL-MNOVXSKESA-N 302.400 -0.867 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C[C@H](O)CN(C)c1ncccn1 1125162765 UBRHQLCNXVEYNQ-STQMWFEESA-N 306.366 -0.230 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)c2cnn(C)c2N)C1=O 1126099118 GBKVYXMMFAQQRJ-NSHDSACASA-N 306.370 -0.891 30 20 DBED C#CCN1CCn2ncc(CNC(=O)CO[C@H]3CCOC3)c2C1 1128350488 AEKZEHWUBBCFDB-AWEZNQCLSA-N 318.377 -0.246 30 20 DBED C=CCCC(=O)NCc1nc([C@H]2COCCN2CC(N)=O)n[nH]1 1130831653 MBZVHFQUGLHZDG-SNVBAGLBSA-N 322.369 -0.754 30 20 DBED C[C@H]1CCN(C(=O)CS(=O)(=O)N(C)C)C[C@@H]1CNCC#N 1133274210 DISYKVJRRCCAOC-RYUDHWBXSA-N 316.427 -0.524 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)CN1CCCS1(=O)=O)NCC#N 1134552790 GKQKZTPDBKPJIS-WDEREUQCSA-N 302.400 -0.582 30 20 DBED C[C@@H]1Cc2cc(C(=O)NCCNCC(=O)NCC#N)ccc2O1 1135331841 ZWYGLCVPRZKVFM-LLVKDONJSA-N 316.361 -0.031 30 20 DBED C#CCCN[C@H](C)C[C@H](C)NC(=O)CNC(=O)Cn1cncn1 1146560704 CRKYDIQIZAOEIN-OLZOCXBDSA-N 320.397 -0.710 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)c1cc(C)[nH]n1)C2 1147072167 ZMQUUWDEZDYTOP-UHFFFAOYSA-N 315.377 -0.385 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)c1cnn(C)c1OC 1149208364 BYCGLPZRWSKRIR-JTQLQIEISA-N 309.370 -0.561 30 20 DBED COCC#CCN1CCCO[C@@H](CNC(=O)[C@@H]2CCC(=O)N2)C1 1150607929 XOWASFXWPCDOLP-KBPBESRZSA-N 323.393 -0.878 30 20 DBED COCC#CCNCCNC(=O)c1ccccc1-n1cnnn1 1150670655 BGUVRIISXZBUMW-UHFFFAOYSA-N 314.349 -0.369 30 20 DBED C#CCN1CCC(CCOC)(NC(=O)Cn2cncn2)CC1 1151406360 DTTKPTCYLMCFIM-UHFFFAOYSA-N 305.382 -0.101 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCCNCCN(C)S(C)(=O)=O 1157190067 ZKOXCNGJSPTRQL-CYBMUJFWSA-N 321.443 -0.699 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCCN[C@@H]1CCCNC1=O 1160197784 GMBZWVZYSALGKW-KGLIPLIRSA-N 306.410 -0.542 30 20 DBED C#CCNC(=O)CC(=O)NCCCCCCN[C@H]1CCNC1=O 1178262360 JCDWZRZFWKIWJI-ZDUSSCGKSA-N 322.409 -0.719 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)[C@@H]2[C@H]3COC[C@H]32)[C@H]1C 1179355255 DSJAVKDCHLYXNF-QZOBBIQNSA-N 319.405 -0.404 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)c2nn(C)cc2C)C1 1182449924 KECUMPKIAMWDMO-GFCCVEGCSA-N 305.382 -0.165 30 20 DBED Cc1nn(CC(=O)N2C[C@@H](C)[C@](C)(CNCC#N)C2)c(=O)n1C 1183304136 JRBZNCMTDIGRDM-IAQYHMDHSA-N 320.397 -0.512 30 20 DBED C=C(Cl)CN[C@@H]1CCN(C(=O)CS(=O)(=O)CCOC)C1 1183700204 BCFRESVURGURLL-LLVKDONJSA-N 324.830 -0.009 30 20 DBED COCC#CCNC[C@@H]1CCN(C(=O)CCNC(N)=O)C[C@H]1C 1185661680 FWHGBPJGGZCVHF-KGLIPLIRSA-N 324.425 -0.231 30 20 DBED C#CCNC[C@@H]1CN(C(=O)c2ncn(C)n2)CC12CCOCC2 1186367667 BSRJHEKENKCZQR-CYBMUJFWSA-N 317.393 -0.093 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)Cc2ncc[nH]2)C1 1186602145 VQPKTUYXSHTDAN-NWDGAFQWSA-N 305.382 -0.167 30 20 DBED C=CCNC(=O)CN1C[C@@H]2CCN(C(=O)[C@H]3CCCN3C)[C@@H]2C1 1187326935 VFPWHICSVWYQRX-RRFJBIMHSA-N 320.437 -0.085 30 20 DBED C#CCN1C[C@@H]2CCN(C(=O)[C@H](C)NS(=O)(=O)CC)[C@@H]2C1 1187991760 WSZBDUASVYRNQY-RWMBFGLXSA-N 313.423 -0.520 30 20 DBED C=CCNC(=O)[C@@H](C)N(C)[C@@H]1CCN(C(=O)c2cn(C)nn2)C1 1189964732 VHZOJCMHSBXJBJ-VXGBXAGGSA-N 320.397 -0.348 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@H]1CCN(C(=O)c2ncn(C)n2)C1 1189983238 HAURISWJJFVSBU-NEPJUHHUSA-N 318.381 -0.901 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)[C@H](C)CCOC)[C@@H]2C1 1190272023 PPLZEWNTKOCAEA-QLFBSQMISA-N 321.421 -0.059 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)CCc2cnc[nH]2)C1 1190548749 YYMGRYUHFSSTRE-CQSZACIVSA-N 317.393 -0.376 30 20 DBED N#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)/C=C\c2ccco2)C1 1190700906 MYPZUWDWLRJYDA-FGTRRKKMSA-N 318.333 -0.906 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2[C@H]3CCCC[C@H]32)C1 1192030015 XLQRTNQHRSCPJX-SGPHBRAGSA-N 319.405 -0.667 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)/C=C(\C)CC)C1 1192722485 OBYDPXIOEOVGCC-PJSWUYHUSA-N 307.394 -0.358 30 20 DBED Cc1nnc(COCC(=O)N[C@@H]2CN(CC#N)C[C@H]2O)s1 1194451140 MWEHKQDTQHGCOO-NXEZZACHSA-N 311.367 -0.952 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)COc2c(C)occc2=O)C1 1194593580 KPILDYZAJJPHPW-TZMCWYRMSA-N 320.345 -0.488 30 20 DBED CCS(=O)(=O)N[C@H](C)C(=O)N1CCC(NCC#N)CC1 1200686234 MOMYYVULTSCLRQ-SNVBAGLBSA-N 302.400 -0.582 30 20 DBED C#CCNC(=O)[C@H](C)NC1CCN(C(=O)c2cncn2C)CC1 1201475712 LIPPDPWCRGKGKQ-LBPRGKRZSA-N 317.393 -0.248 30 20 DBED C=CCNC[C@H]1CN(C(=O)CS(=O)(=O)N(C)C)CCCO1 1201965947 SYRPMHCWCGAYCO-LBPRGKRZSA-N 319.427 -0.729 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)C(C)(C)NC(C)=O)CC1 1202961341 KHCMQLKDLMGOJE-UHFFFAOYSA-N 322.409 -0.769 30 20 DBED C=CCNC(=O)CN[C@@H]1C[C@@H](NC(=O)c2cnn[nH]2)C12CCC2 1203112267 BBWGTMJAKWYKNM-VXGBXAGGSA-N 318.381 -0.263 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)COC(C)C)CC1 1204687333 VQECTACDXYLQFJ-UHFFFAOYSA-N 309.410 -0.011 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)CSCC#N 1206089599 AWZGEASHOOUVLC-GHMZBOCLSA-N 309.395 -0.681 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCCN(C(=O)CNC(=O)OC)C1 1207544013 GDLFBODIXPZIHU-RYUDHWBXSA-N 324.381 -0.939 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2CCO[C@H]2C=C)C1 1209708815 RRCOBQZEZYAFDS-KFWWJZLASA-N 319.405 -0.093 30 20 DBED CCc1cc(C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@H]2C)no1 1210407079 IPYJQZDLRCDTPW-ZWNOBZJWSA-N 319.365 -0.073 30 20 DBED C=CCOCCN[C@@H]1CN(C(=O)[C@@H]2CN(C)C(=O)N2)C[C@H]1C 1215309555 LJUOWJMOYVXPHP-UPJWGTAASA-N 310.398 -0.351 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)CN2C(=O)CCC2=O)C[C@H]1C 1216717205 NYNGGERRVFCJBT-CHWSQXEVSA-N 321.377 -0.778 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H]2[C@@H](C1)OCCN2C(=O)C(F)F 1217166004 NPKQJMUQGADRGX-OUAUKWLOSA-N 317.336 -0.146 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(CC(=O)N[C@@H](C)CC)C[C@@H]1O 1219532050 GUSJIKBAQPKMRD-MJBXVCDLSA-N 309.410 -0.134 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1CN(CCCO)C[C@@H]1O 1220488196 RJSVMVRLBDEAAK-MJBXVCDLSA-N 313.398 -0.999 30 20 DBED COCC#CCN1CCC(CNC(=O)CS(C)(=O)=O)CC1 1222525949 YEOUMEGCVBYPTN-UHFFFAOYSA-N 316.423 -0.491 30 20 DBED C#CCO[C@H](C)C(=O)NC1CCN(Cc2nc(=O)n(C)[nH]2)CC1 1227332799 ZRPRBCLAOUDUJX-LLVKDONJSA-N 321.381 -0.773 30 20 DBED C#CCCN1CCC(NC(=O)CN(C)S(=O)(=O)CC)CC1 1229839550 NPEJIXGYSSMEEP-UHFFFAOYSA-N 315.439 -0.128 30 20 DBED C=CCOCC(=O)NCC[C@H]1CN(CC=C)CCS1(=O)=O 1230435101 BRJSDWMSKVCQRP-ZDUSSCGKSA-N 316.423 -0.020 30 20 DBED C#CCN1CCS(=O)(=O)[C@@H](CCNC(=O)c2c[nH]nc2C)C1 1230480554 DHMWUGBEOAGOGD-LBPRGKRZSA-N 324.406 -0.430 30 20 DBED C=CCNC(=O)[C@@H](C)N(C)CCCNC(=O)[C@H]1COCCO1 1234245076 ZJASRBWTXCOGQA-CHWSQXEVSA-N 313.398 -0.469 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)CCc1cnc[nH]1 1235124665 SHVNRQFTDPIIGG-AWEZNQCLSA-N 317.393 -0.376 30 20 DBED C#CCOCCNC(=O)C(=O)N[C@H](C)c1nnc2ccccn12 1257124712 CXHLVUVDWXZZMW-LLVKDONJSA-N 315.333 -0.328 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N1CCC(Cn2cncn2)CC1 1261155065 YKLUMKXQQBJQLZ-ZDUSSCGKSA-N 321.381 -0.166 30 20 DBED C=CC[C@H](C)NC(=O)C(=O)Nc1ccn(CC(=O)N(C)C)n1 1319536591 NBJPWNREBUNFRE-JTQLQIEISA-N 307.354 -0.009 30 20 DBED C=C(C)COCCNC(=O)C(=O)N1CCn2nc(C)nc2C1 1323601509 FUDVFJYVXWFFIT-UHFFFAOYSA-N 307.354 -0.362 30 20 DBED O=C(N[C@@H]1CCCN(O)C1=O)[C@@H]1CC12CCS(=O)(=O)CC2 1325090122 ZNDKRBIQNBWJKE-VHSXEESVSA-N 316.379 -0.302 30 20 DBED N#C[C@H]1CC[C@@H](NC(=O)C(=O)N2CC[C@@H](n3cncn3)C2)C1 1325994035 WSNYMKREVCISAR-QJPTWQEYSA-N 302.338 -0.140 30 20 DBED COC[C@@]1(C)CCN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)C1 1332388378 YYIZSGOKUCUJMD-GJZGRUSLSA-N 309.366 -0.252 30 20 DBED C=CCn1c([C@H](C)O)nnc1N1C[C@H]2C(=O)N(C)C(=O)[C@H]2C1 1338941098 HUOHKHWZGHNMKS-LPEHRKFASA-N 305.338 -0.432 30 20 DBED C=C(C)COCCNC(=O)C(=O)N1CCOC[C@H]1CCO 1341479220 HGVXHSTZTFFJEI-GFCCVEGCSA-N 300.355 -0.695 30 20 DBED C=C(C)CN1CCC(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)CC1 1341897893 IUOYQEZDCDTHAF-AWEZNQCLSA-N 320.393 -0.106 30 20 DBED C=C(CC)C(=O)N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 1348748551 DMPXVKMBCOZQDN-RYUDHWBXSA-N 302.396 -0.433 30 20 DBED CC[C@H](C#N)C(=O)N1CC(n2cnc3c(N)nc(N)nc32)C1 1363644123 XQCJIJZXIKTXPF-SSDOTTSWSA-N 300.326 -0.076 30 20 DBED C=C(Cl)CNC1(CNC(=O)CNS(=O)(=O)N(C)C)CC1 1368031987 RLTSHHJBFRYBOZ-UHFFFAOYSA-N 324.834 -0.627 30 20 DBED CS[C@H](C)CNC(=O)NCCn1cc(C#N)c(O)nc1=O 1369009126 ORFDOQGIRTXJHA-MRVPVSSYSA-N 311.367 -0.129 30 20 DBED COC(=O)NCC(=O)NC[C@@H](O)CNCc1ccc(C#N)cc1 1374581942 FXWJDBVVNMMPOS-ZDUSSCGKSA-N 320.349 -0.519 30 20 DBED Cn1cnc(C(=O)NC[C@H](O)CNCc2ccc(C#N)cc2)n1 1374601372 IVVMDMVXLMPSNP-CYBMUJFWSA-N 314.349 -0.433 30 20 DBED CCN(CC)C(=O)[C@@H](C)N1CC(O)(CNC(=O)[C@H](C)C#N)C1 1380580578 IOBCXCHVBHYYGQ-VXGBXAGGSA-N 310.398 -0.434 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](NC(=O)CNC(=O)N2CCCC2)C1 1385570730 IHPUFUXGSZFQFS-NWDGAFQWSA-N 321.381 -0.331 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)c2cncnc2)C1 1394635381 SMUCZSVNWKEGHD-IINYFYTJSA-N 303.322 -0.671 30 20 DBED C[C@@H](C#N)C(=O)NCC1CN(C(=O)C(C)(C)S(C)(=O)=O)C1 1409176296 WLBPBODDEVLNRN-VIFPVBQESA-N 315.395 -0.456 30 20 DBED Cc1cc(C#N)cnc1C(=O)N1CC[C@H]2OCC(=O)N[C@@H]2C1 1412153842 YYCNCGVYQGUTAW-VXGBXAGGSA-N 300.318 -0.009 30 20 DBED CC(C)(C)OC(=O)CCNC(=O)Cn1cc(C#N)c(O)nc1=O 1417693338 JJVNXBOWXRRKBJ-UHFFFAOYSA-N 322.321 -0.331 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)NCc1nc2ncccn2n1 1424252913 UJRKMSHGHZLUTH-VIFPVBQESA-N 309.355 -0.307 30 20 DBED CCN(CCNC(=O)c1cc(C#N)c[nH]1)C(=O)Cn1ncnn1 1429547486 BBSFCZYPVXKFNG-UHFFFAOYSA-N 316.325 -0.849 30 20 DBED CN(CC1(C)COC1)C(=O)CCn1cc(C#N)c(O)nc1=O 1434194259 WJXNDFYCJIIIEQ-UHFFFAOYSA-N 306.322 -0.294 30 20 DBED CCn1nc(C(=O)NC[C@@H](C)N(C)C(=O)[C@H](C)C#N)ccc1=O 1442886422 ZFMIYYSKAOXFEY-GHMZBOCLSA-N 319.365 0.000 30 20 DBED Cc1nc(CC(=O)N(C)C2CC(NC(=O)[C@H](C)C#N)C2)n[nH]1 1445023142 NOUOICIBOPJDSY-MFAVDMRSSA-N 304.354 -0.079 30 20 DBED C[C@@H](C#N)C(=O)NC1CN(C(=O)C2CCN(C(N)=O)CC2)C1 1450490099 CDFIGVDEVDPRRS-VIFPVBQESA-N 307.354 -0.736 30 20 DBED CC[S@@](=O)CCNC(=O)CCn1cc(C#N)c(O)nc1=O 1465144704 GOPWBIGJULMIFW-OAQYLSRUSA-N 312.351 -0.905 30 20 DBED Cn1nnc(NC(=O)N2CCN(c3cnccc3C#N)CC2)n1 1477053069 LLSINJTXJMNNOT-UHFFFAOYSA-N 313.325 -0.169 30 20 DBED C#CCN(C)c1nnc([C@@]2(O)CCOC2)n1C[C@H]1CCOC1 1526344795 NWELUZDXKWGGOO-IUODEOHRSA-N 306.366 -0.008 30 20 DBED C#CCNC(=O)CN1CCOC[C@@H]1CNC(=O)[C@H]1CC1(C)C 1570062466 NRTLFUDBUOFQJR-QWHCGFSZSA-N 307.394 -0.401 30 20 DBED C=CCCOCC(=O)N[C@@H]1CCN(C(=O)CNC(=O)O)[C@H]1C 1573360855 ZGXPHRBELMOFNR-WDEREUQCSA-N 313.354 -0.048 30 20 DBED CCN(CCC#N)S(=O)(=O)NC[C@@]1(C(=O)O)CCCOC1 1573770843 BCXUSSHQZAQTBB-LBPRGKRZSA-N 319.383 -0.062 30 20 DBED C[C@@H]1CN(CCNc2cnc(C#N)c(-c3nn[nH]n3)n2)CCO1 1576360378 KXLANNWCISRTGK-SECBINFHSA-N 315.341 -0.339 30 20 DBED C[C@H]1CN(c2cnc(C#N)c(-c3nn[nH]n3)n2)C[C@@H](C)[S@]1=O 1576362516 BVLIMTCRVBYDHJ-KIAZABQESA-N 318.366 -0.126 30 20 DBED CCOC(=O)CCN(C)c1cnc(-c2nn[nH]n2)c(C#N)n1 1578245318 MLAALBIVBQTDDF-UHFFFAOYSA-N 302.298 -0.082 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N1CCC(C(=O)O)CC1 1588390229 OMYGUXTZSJFOMM-LBPRGKRZSA-N 310.350 -0.146 30 20 DBED CC1(C)CC[C@H](n2c(=O)c(C#N)cn(CC(=O)O)c2=O)C1=O 1589224758 PFQWISXLMWGGQQ-VIFPVBQESA-N 305.290 -0.104 30 20 DBED COC(=O)CN(CC#N)C(=O)Cc1ccc(-c2nn[nH]n2)nc1 1591267049 HPPNUTCSYCJRJA-UHFFFAOYSA-N 315.293 -0.671 30 20 DBED C#C[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H](O)C[C@H](C(=O)O)C2)C1 1602676813 ISZQPQKNCQJONY-WOPDTQHZSA-N 308.334 -0.848 30 20 DBED C#CC1(O)CCN(Cc2cnc3c(-c4nn[nH]n4)cnn3c2)CC1 1602691571 ZYPPHCRWCOPVRM-UHFFFAOYSA-N 324.348 -0.131 30 20 DBED N#CC1(C[C@H](O)CNCCn2cc(C(=O)O)nn2)CCOCC1 1608174728 BMVQKJVUWQYAAM-NSHDSACASA-N 323.353 -0.363 30 20 DBED N#CCN(CCC(=O)O)C(=O)c1ccc(S(N)(=O)=O)cc1 1608185581 YASDAXHNEUIPCS-UHFFFAOYSA-N 311.319 -0.226 30 20 DBED N#Cc1ccc([C@H](O)C(=O)N2CCNC(=O)[C@H]2CC(=O)O)cc1 1608202968 ZEHROVDUMWATHP-YPMHNXCESA-N 317.301 -0.607 30 20 DBED C#CCN(CC1CC1)c1c(-c2nn[nH]n2)c(=O)n(C)c(=O)n1C 1609020925 SMYADROHLNQWRW-UHFFFAOYSA-N 315.337 -0.886 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC[C@H](NC(=O)c2ccncn2)C1 1713960022 RKZXYKRZAQBNBK-NEPJUHHUSA-N 303.366 -0.029 30 20 DBED C#CCNC[C@H]1CCCN1C(=O)[C@@H](C)NS(=O)(=O)CC 1715209081 GOZKSZZJYWNOQO-VXGBXAGGSA-N 301.412 -0.472 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCC[C@H](C)NCC(=O)N1CCC1 1725005177 VGWFVEXZLYINBU-GJZGRUSLSA-N 320.437 -0.199 30 20 DBED C#CCN1CCC[C@@H]([C@@H](C)NC(=O)CS(=O)(=O)N(C)C)C1 1752839717 DIKLVAWMSGXXPS-CHWSQXEVSA-N 315.439 -0.272 30 20 DBED CS(=O)(=O)CCN1CC[C@H](CNC(=O)CSCC#N)C1 1753119854 PNNGNPLCZKPPOJ-LLVKDONJSA-N 319.452 -0.274 30 20 DBED COCC#CCN1CC(NC(=O)CCCS(C)(=O)=O)C1 1753389068 YVUHNDPKSPUTQP-UHFFFAOYSA-N 302.396 -0.739 30 20 DBED CC#CCNC[C@@](C)(NC(=O)Cn1nc(C)n(C)c1=O)C1CC1 1753527583 GJLSDFQQVDBZBD-MRXNPFEDSA-N 319.409 -0.212 30 20 DBED COCC#CCNC[C@H](C)CNC(=O)c1cccn2nnnc12 1753616395 CUCGFBZLIWKJCY-LBPRGKRZSA-N 316.365 -0.270 30 20 DBED C=C(C)CN1CCO[C@@H](CNC(=O)CCS(=O)(=O)NC)C1 1753648657 KUJRHSLBGKZHLL-LBPRGKRZSA-N 319.427 -0.681 30 20 DBED N#CCNC(=O)CNC[C@@H](O)CNC(=O)C[C@H]1C=CCCC1 1753914685 LAKJFTGYBQWAHM-QWHCGFSZSA-N 308.382 -0.561 30 20 DBED CC#CCNC[C@H](O)CNC(=O)c1cccn2c(O)nnc12 1753933177 FOTOIDQJAVMSPP-JTQLQIEISA-N 303.322 -0.862 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@@H](NC(=O)Cc1ncc[nH]1)C1CC1 1754454474 HFFSYQHIKCWAQI-WCQYABFASA-N 317.393 -0.426 30 20 DBED C=CCNC(=O)CN1CC[C@@H]1CNC(=O)c1n[nH]c(C)c1O 1754478530 PPDFRYWTFUFJJE-SNVBAGLBSA-N 307.354 -0.470 30 20 DBED CC#CCNC[C@@]1(C)CCN(C(=O)CN2CC(=O)N(C)C2=O)C1 1754710516 HDKVKQWCEJNMTM-MRXNPFEDSA-N 320.393 -0.268 30 20 DBED O=C(C#CC1CC1)NC[C@]1(O)CCN(CCN2CCCC2=O)C1 1754749848 YZNFTBZEXGBEQH-QGZVFWFLSA-N 319.405 -0.425 30 20 DBED C=CCNC(=O)[C@H](C)N1CC[C@](O)(CNC(=O)C#CC(C)C)C1 1754751850 VRVWLMLJMZMZCF-YOEHRIQHSA-N 321.421 -0.111 30 20 DBED C#CCN1CC[C@@](O)(CNC(=O)Cn2nnc3c2CCCC3)C1 1754758100 YUSTVKYLDDLZJF-MRXNPFEDSA-N 317.393 -0.657 30 20 DBED C=CCN1C[C@H]2CN(C(=O)[C@@H](C)NS(C)(=O)=O)C[C@H]2C1 1754845468 NUPYYTYVGFUGOC-UTUOFQBUSA-N 301.412 -0.500 30 20 DBED Cn1cnn(CC(=O)N[C@H]2CC[C@H](CNCC#N)CC2)c1=O 1754954161 ZIZNHECGLNHDMW-HAQNSBGRSA-N 306.370 -0.630 30 20 DBED C#CCCCC(=O)N1CCC(O)(CNCC(=O)NCC#N)CC1 1755148987 QPKFLKMJUHJLKX-UHFFFAOYSA-N 320.393 -0.627 30 20 DBED CC(=O)Nc1cccnc1C(=O)N(C)C[C@H](O)CNCC#N 1755780207 APXCIFDCFZJZLC-LLVKDONJSA-N 305.338 -0.414 30 20 DBED C#CCNC(=O)CNC[C@@H](O)CN(C)C(=O)C(C)(C)C(=C)C 1755785755 OGANJYOJLCTBOR-CYBMUJFWSA-N 309.410 -0.253 30 20 DBED C#CCCNC[C@H](O)CN(C)C(=O)[C@H]1CCCc2nn[nH]c21 1755787439 VVTAGQKZYLYNFY-RYUDHWBXSA-N 305.382 -0.343 30 20 DBED CN(Cc1cnnn1C)C[C@@H](O)CN(C)C(=O)C#CC1CC1 1755801126 VCRXOTURQSSQHF-CQSZACIVSA-N 305.382 -0.520 30 20 DBED C#CCN1CC=C(CNC(=O)CN2CCC(=O)NC2=O)CC1 1755896107 HLILSDHJZHEWSR-UHFFFAOYSA-N 304.350 -0.690 30 20 DBED C#CCCCC(=O)NCC1[C@@H]2CN(C(=O)CNC(=O)NC)C[C@@H]12 1756201068 ZJJMKARFZGQOMC-STQMWFEESA-N 320.393 -0.461 30 20 DBED C[C@@H](C#N)C(=O)NCc1ccc(CNC(=O)C(N)=O)c(F)c1 1756785457 VGUCQRVLQZQQJY-QMMMGPOBSA-N 306.297 -0.297 30 20 DBED C=C[C@H](CC)CC(=O)N[C@@H]1CN(C(=O)CNC(C)=O)C[C@@H]1O 1757204598 YWIOIMRZZIDSAL-UPJWGTAASA-N 311.382 -0.587 30 20 DBED C=CCCC(=O)N[C@H]1CCN(C(=O)c2ccc(O)nn2)C[C@@H]1O 1757563784 XNOUGAPAJFLRJA-JQWIXIFHSA-N 320.349 -0.160 30 20 DBED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCC(N)=O)C2 1781695530 HOLXPDIPOBSGLX-MLGOLLRUSA-N 321.377 -0.601 30 20 DBED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CC(O)C1 1792896325 PZQAKFMGWGPXKY-KEEGFVMWSA-N 320.389 -0.240 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN(C)C(C)=O)C2 1800450770 GGZSXWYRWLJIQH-YWVIFJGQSA-N 321.377 -0.922 30 20 DBED C#CCN1CCN(C(=O)CN(C)CC(=O)N(CC)CC)CC1 81646360 NXESHDKNKMDQFX-UHFFFAOYSA-N 308.426 -0.436 30 20 DBED N#Cc1cnc(N2CCN(S(N)(=O)=O)CC2)c(Cl)c1 114708690 TZBCRWRSNYZVFT-UHFFFAOYSA-N 301.759 -0.068 30 20 DBED C#CC[C@H](NS(=O)(=O)N1CCC[C@H]1C(=O)OCC)C(=O)O 159572689 CJVKDFLMMBKBMX-UWVGGRQHSA-N 318.351 -0.675 30 20 DBED Cc1cccc(=O)n1C[C@@](C)(O)C(=O)N1CCO[C@@H](C#N)C1 280758568 COQIDGVCJQSCBJ-SWLSCSKDSA-N 305.334 -0.341 30 20 DBED C=CCCN(C)C(=O)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O 288418223 GWDKIMMBFSTESV-GFCCVEGCSA-N 319.365 -0.324 30 20 DBED C[C@@H]1C[C@H](N2CCOCC2)CN1/C(O)=N/[C@@H]1CCN(C)C1=O 329271694 JJSPNMMNDSBUEQ-FRRDWIJNSA-N 310.398 -0.074 30 20 DBED CS(=O)(=O)N[C@@H]1CCN(/C(O)=N/CC2=CCCOC2)C1 329349406 WLIDARFLTOMEGN-LLVKDONJSA-N 303.384 -0.129 30 20 DBED CCn1ncnc1CN/C(O)=N/CCC(=O)N1CCN(C)CC1 329970458 UYUQLIJASRKOEO-UHFFFAOYSA-N 323.401 -0.534 30 20 DBED CC(C)C/N=C(/O)NC(=O)CN1CCO[C@@H](Cn2cncn2)C1 330642691 DLXXVOJYRJLJCO-GFCCVEGCSA-N 324.385 -0.335 30 20 DBED C[C@H](O)C/N=C(/O)Nc1cnn(CC(=O)N2CCOCC2)c1 331201457 VTXVDVZLIGSIRG-JTQLQIEISA-N 311.342 -0.551 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)NCc1nc(N(C)C)no1 336910000 WSEQWVLHGXHREZ-SECBINFHSA-N 316.387 -0.048 30 20 DBED COC(=O)[C@H]1C[C@H]1C(=O)N(CCC#N)CCN1CCOCC1 336995460 ZSAPBAJPLYHMQG-OLZOCXBDSA-N 309.366 -0.130 30 20 DBED CCN(CCC#N)S(=O)(=O)NCc1ccc(C(N)=O)o1 337062078 HOWFFTWJGKDULD-UHFFFAOYSA-N 300.340 -0.052 30 20 DBED CCC(CC)(NS(=O)(=O)N1CCO[C@H](C#N)C1)C(=O)OC 337099512 UOCDRDBUKYAHPH-SNVBAGLBSA-N 319.383 -0.223 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCCc2ccon2)C1=O 338253733 QZJKOEOLPKKTCC-UHFFFAOYSA-N 306.278 -0.690 30 20 DBED CC(C)NC(=O)CN1CCN(CC(=O)NC2(C#N)CCC2)CC1 346893734 VKUCIBMSJRXRFR-UHFFFAOYSA-N 321.425 -0.309 30 20 DBED N#Cc1ccc(S(=O)(=O)NCC(=O)NCCCC(N)=O)cc1 352775069 IWTFLKPLTWRPNZ-UHFFFAOYSA-N 324.362 -0.782 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H]1CCN(C(C)=O)C1 407953465 LSIKOLPIYWQSDM-ZYHUDNBSSA-N 302.400 -0.077 30 20 DBED CC#CCCNC(=O)N1CC(S(=O)(=O)N2CCNCC2)C1 418035519 VDMNGMIBZSALOR-UHFFFAOYSA-N 314.411 -0.971 30 20 DBED C#CCN1CCN(C(=O)CN2CC[C@@H](N3CCCC3=O)C2)CC1 490897849 GBTFDWSXAICVHW-OAHLLOKOSA-N 318.421 -0.540 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2ccc(OC)nc2)CC1 491072354 RLSSCPKKKGWFQE-UHFFFAOYSA-N 316.361 -0.403 30 20 DBED C#CCNC(=O)CCNCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 491383913 MXXHWTWFGTYUQH-NZBPQXDJSA-N 315.373 -0.477 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CCOC[C@H]2C)CC1 491815122 UJERFJRCOLZIRL-KGLIPLIRSA-N 307.394 -0.447 30 20 DBED CN1CCN(S(=O)(=O)c2ccc(C#N)cc2F)[C@H](CN)C1 565542413 ZCFGDAGSDFCUEO-LLVKDONJSA-N 312.370 -0.039 30 20 DBED O=C(NCC#CCO)c1cccc(C(=O)NCC#CCO)c1 577076102 MVSZENRJDPRCRZ-UHFFFAOYSA-N 300.314 -0.862 30 20 DBED CN(C)S(=O)(=O)N1CCCC[C@H]1CNc1cc(C#N)ncn1 577317921 OZJVIRYNXIFORM-LBPRGKRZSA-N 324.410 0.421 30 20 DBED COC(=O)[C@@H]1C[C@H](O)CN([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 592199185 SMDGHOMBFLSEHW-HZSPNIEDSA-N 317.345 -0.060 30 20 DBED N#Cc1cnnc(Nc2cnn(CC(=O)N3CCOCC3)c2)c1 596137088 QAMFKGYGFYSIHJ-UHFFFAOYSA-N 313.321 0.147 30 20 DBED N#CCSCC(=O)N1CCCC[C@@H]1CNS(N)(=O)=O 597738490 VZZJSQMIXDDRBX-SECBINFHSA-N 306.413 -0.583 30 20 DBED CN(C)S(=O)(=O)N1CCN(C(=O)c2ccc(C#N)cn2)CC1 609342870 QTQPKWPWYMODTH-UHFFFAOYSA-N 323.378 -0.483 30 20 DBED C[C@H](NS(=O)(=O)N(C)[C@H](C)CC#N)[C@@H]1CN(C)CCO1 619750901 PPNBQFNEYXKMFJ-WOPDTQHZSA-N 304.416 -0.226 30 20 DBED CC#CC[C@@H](CO)NC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O 649193195 ZFGLFHDAXDWJJD-NHYWBVRUSA-N 307.350 -0.403 30 20 DBED C#CCOc1ccc(F)cc1NC(=O)C(=O)NCc1nn[nH]n1 743915142 DEWGHCJXJSYMCL-UHFFFAOYSA-N 318.268 -0.394 30 20 DBED C[C@@H](OC(=O)C#Cc1ccc2c(c1)OCO2)C(=O)NC(N)=O 761215340 OVVOEHDGGDYTSL-MRVPVSSYSA-N 304.258 -0.107 30 20 DBED C=CCS(=O)(=O)CCNC(=O)NCCC(=O)NC(C)C 783000311 SDKXQTRRDRGEHF-UHFFFAOYSA-N 305.400 -0.199 30 20 DBED N#CCCNC(=O)COC(=O)[C@@H]1COCCN1CC(F)(F)F 801339881 HFLHWTSGUPTDCS-VIFPVBQESA-N 323.271 -0.177 30 20 DBED C#CCCCC(=O)NS(=O)(=O)N1CCN(C(C)=O)CC1 813945010 DDFOTFSRGZYEDU-UHFFFAOYSA-N 301.368 -0.685 30 20 DBED C#CCOCCC(=O)N1[C@H]2CC[C@H]1[C@H](C(=O)OC)[C@@H]2C(=O)O 833364195 LFCUNRCXEXLACR-DJIHRAIXSA-N 309.318 -0.111 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCNC[C@@H]1CCC)[C@@H]1CCCO1 842164865 XXSDCACLISJAFI-IHRRRGAJSA-N 307.394 -0.116 30 20 DBED C#CCSCCNC(=O)C(=O)Nc1ccnc(OCCO)c1 850381260 YWHYZHHWKWZBPU-UHFFFAOYSA-N 323.374 -0.126 30 20 DBED C=CCOCCOCCOC(=O)c1cn(C)c(=O)n(C)c1=O 851454979 CXZRGHOWOYUJSS-UHFFFAOYSA-N 312.322 -0.540 30 20 DBED C#CCN(CC(=O)NC[C@@H](O)COC)C(=O)OC(C)(C)C 854384631 XHIYZVZQZRDNEV-LLVKDONJSA-N 300.355 -0.020 30 20 DBED C#CC1(O)CN(C(=O)NCC2(N3CCOCC3)CCOCC2)C1 895298699 LBTCWYCQOIGKRF-UHFFFAOYSA-N 323.393 -0.743 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C2CN(S(C)(=O)=O)C2)C1=O 907959158 IDVDCYNOENKEHC-NSHDSACASA-N 315.395 -0.877 30 20 DBED C#CC[C@@H](CO)NC(=O)NCc1cccc(OCC(=O)NC)c1 914273897 UWDKKFYZIMLDHC-ZDUSSCGKSA-N 319.361 -0.005 30 20 DBED C#CCN1CCC[C@@H](NC(=O)C2(n3cnnn3)CCOCC2)C1 923556951 HKHDIYFWFIJWIJ-CYBMUJFWSA-N 318.381 -0.607 30 20 DBED COC[C@@H]1COCCN1CC#CCN1CCOC[C@H]1COC 933332737 VVEHSRPNHBRWJI-HZPDHXFCSA-N 312.410 -0.316 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](N(C)C(=O)C2CS(=O)(=O)C2)C1 939394983 BIOGYCDGOLUENN-MWLCHTKSSA-N 313.379 -0.750 30 20 DBED O=C(N[C@@H]1CCN(C(=O)C#CC2CC2)C1)[C@H]1CCS(=O)(=O)C1 941503497 LUMIXQLDMNPITA-QWHCGFSZSA-N 324.402 -0.448 30 20 DBED C[C@H]1CN(CC#N)CC[C@H]1NC(=O)Cn1ccc(O)nc1=O 942315733 WKNWSSXJPYERGS-WDEREUQCSA-N 305.338 -0.701 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@H](NC(=O)C(N)=O)C1 943489391 RRQWVLWEKYILRD-TUAOUCFPSA-N 309.366 -0.440 30 20 DBED CNC(=O)[C@@H](C)N1CCOC2(CCN(C(=O)[C@H](C)C#N)CC2)C1 949319873 DDTKFLLIBXFMCT-CHWSQXEVSA-N 322.409 -0.026 30 20 DBED Cn1nncc1C(=O)N1CC[C@H]1CNC(=O)c1ccc(C#N)[nH]1 949452880 SHXJGRYRIAHQML-JTQLQIEISA-N 313.321 -0.341 30 20 DBED N#Cc1cc(C(=O)NC[C@H]2CCN2C(=O)[C@@H]2COCCO2)c[nH]1 949485953 QRFSKHZOFOAOBT-OLZOCXBDSA-N 318.333 -0.368 30 20 DBED CCN(C(=O)c1ccc(C#N)[nH]1)C1CN(Cc2nnnn2C)C1 949905359 HIVIFMWSTLHYHU-UHFFFAOYSA-N 314.353 -0.244 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CCC[C@H](C1)N2C(=O)Cn1ncnn1 952784115 BQRYBUXCPWQMPF-UTUOFQBUSA-N 317.353 -0.575 30 20 DBED N#CCN1C[C@@H](O)[C@H](CNC(=O)c2cc3c([nH]2)CCOC3)C1 958130173 CNNKPAQXRMOHBF-BXUZGUMPSA-N 304.350 -0.367 30 20 DBED CC#CCN1C[C@@H](O)[C@H](CNC(=O)c2cnc3[nH]nnc3c2)C1 958149422 SDFZTBPMFGKIHJ-DGCLKSJQSA-N 314.349 -0.601 30 20 DBED CC#CCN1C[C@@H](O)[C@H](CNC(=O)c2n[nH]c3c2CCC3)C1 958210613 OXNOEOSVQBPXHV-BXUZGUMPSA-N 302.378 -0.056 30 20 DBED C#CCCN1C[C@@H](O)[C@@H](CNC(=O)c2nc3ncccn3n2)C1 958507304 OEBSJLXWEHJBRX-NWDGAFQWSA-N 314.349 -0.830 30 20 DBED C#CCCN1C[C@H]2[C@H](NC(=O)c3cn(CCOC)nn3)[C@H]2C1 959882039 URUSMSOFXLEEQF-IMRBUKKESA-N 303.366 -0.392 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)CC2CC2)C1 961144950 PJKDEEOSKKFOEU-ILXRZTDVSA-N 319.405 -0.428 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)c1cnsn1 964115729 YMOXYQWAGJXPEG-IUCAKERBSA-N 309.351 -0.345 30 20 DBED C[C@@H](NC(=O)c1c[nH]c(C#N)c1)C1CN([C@@H]2CCNC2=O)C1 969526843 QFHRTBYKTAVVBG-NOZJJQNGSA-N 301.350 -0.175 30 20 DBED C=C(Cl)CN[C@@H]1CCN(C(=O)[C@H]2CCN(C)S2(=O)=O)C1 970239666 NLEJFIHVJALZPD-GHMZBOCLSA-N 321.830 -0.037 30 20 DBED CNC(=O)CN1C[C@H]2CC[C@H]1CN2C(=O)c1cc(C#N)c[nH]1 971234011 UOGDBJGPDAPWAD-NWDGAFQWSA-N 301.350 -0.079 30 20 DBED C=CCCN1C[C@H]2CC[C@H]1CN2C(=O)Cn1cnc(C(N)=O)n1 971397963 QAWZKRNSPPDTKT-NWDGAFQWSA-N 318.381 -0.372 30 20 DBED Cn1cnc(C(=O)N2CC[C@]3(CN(CC#N)CCO3)C2)cc1=O 972422146 NYEZKTVZUXNDBF-HNNXBMFYSA-N 317.349 -0.779 30 20 DBED C#CCCN1CCO[C@@]2(CCN(C(=O)[C@]3(C)CCC(=O)N3)C2)C1 972539024 BWWLQDRPHGUJPF-IRXDYDNUSA-N 319.405 -0.018 30 20 DBED Cc1ccn(CC(=O)N[C@H]2[C@@H]3CN(C(=O)[C@H](C)C#N)C[C@@H]32)n1 977219727 WVEFSZQDRPHQJQ-WUWHUORYSA-N 301.350 -0.076 30 20 DBED C#CCN1CCCC2(C1)CN(C(=O)[C@H]1CCS(=O)(=O)C1)C2 981878309 PRIGQHNNLKAWGV-ZDUSSCGKSA-N 310.419 -0.021 30 20 DBED C#CCN1CC[C@]2(NC(=O)[C@@H]3CCS(=O)(=O)N3)CCC[C@H]12 992489914 DFXZHRQPGRFHPC-SGMGOOAPSA-N 311.407 -0.576 30 20 DBED COc1nc(C)ncc1C(=O)NC1CN(C(=O)[C@H](C)C#N)C1 994158762 RDJRQJOAAALYBK-MRVPVSSYSA-N 303.322 -0.106 30 20 DBED C#CCN1CCC[C@@H](NC(=O)CN2CCC(=O)NC2=O)[C@H]1C 994166530 KVVSATFJCMWCKZ-VXGBXAGGSA-N 306.366 -0.469 30 20 DBED C=C(C)CN1CCC[C@H](NC(=O)c2cn(CC(N)=O)nn2)[C@H]1C 994484681 JBUJIUIWADHTGH-NEPJUHHUSA-N 320.397 -0.078 30 20 DBED C=CCn1cccc1C(=O)N1CC(NC(=O)[C@@H]2CNC(=O)N2)C1 998677970 IEUOSGOAXFSYQY-NSHDSACASA-N 317.349 -0.704 30 20 DBED C[C@H](C#N)C(=O)N1CC(NC(=O)c2cn([C@H]3CCOC3)nn2)C1 999711054 IUGMBBACURCGJF-KOLCDFICSA-N 318.337 -0.660 30 20 DBED Cn1ccc(C(=O)NCc2cn([C@@H]3CCN(CC#N)C3)nn2)n1 1000047055 YDDUDTOHCXSQNC-GFCCVEGCSA-N 314.353 -0.288 30 20 DBED C=CCn1cccc1C(=O)NCC1CN(C(=O)CC(N)=O)C1 1002613471 MYNNZICMFHCNOZ-UHFFFAOYSA-N 304.350 -0.262 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2CCN(C(=O)CC(N)=O)[C@H]2C)c1 1011590282 RIQHEQBEJOBUBB-GXFFZTMASA-N 314.345 -0.343 30 20 DBED C[C@H](C#N)C(=O)N1CCCO[C@@H](CNC(=O)c2ncccn2)C1 1019655623 NWUYFWKQXATMMS-NEPJUHHUSA-N 317.349 -0.016 30 20 DBED N#CCN[C@H]1CCN(C(=O)COc2cccc(C(N)=O)c2)C1 1019809634 MTOQCJFLTOMPJC-LBPRGKRZSA-N 302.334 -0.122 30 20 DBED C=CCn1cc(C(=O)N2CC[C@@H]3OCCN(C(C)=O)[C@@H]3C2)nn1 1019881901 GGMSHVGDKOPYJW-KGLIPLIRSA-N 319.365 -0.074 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2C[C@H](N[C@@H]3CCC(=O)NC3=O)C2)[nH]1 1020085103 CQLJHQLSKWZQNZ-CKYFFXLPSA-N 315.333 -0.458 30 20 DBED N#CCN1CC[C@H]2[C@H](CCCN2C(=O)Cn2cnnc2O)C1 1021566267 IBIYIAUYDSBDOJ-NEPJUHHUSA-N 304.354 -0.180 30 20 DBED C#CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCc2nnc(O)n2C1 1032485092 ZJXUJIAXIRLYMR-WOPDTQHZSA-N 301.350 -0.536 30 20 DBED C=C(Cl)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC(=O)NC(=O)N1 1032653327 QSXQDCKLQFPWTM-GUBZILKMSA-N 312.757 -0.378 30 20 DBED C=CCN1C[C@@H]2C[C@H]1CN2C(=O)CN1C(=O)NC(C)(C)C1=O 1032766152 UEBXDJJKHAKPMC-QWRGUYRKSA-N 306.366 -0.212 30 20 DBED CC#CCN1CCCC[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C1 1034530257 BTMRMUAPBJRAIZ-QWHCGFSZSA-N 313.423 -0.328 30 20 DBED C#CCN1CCC2(CCN(C(=O)Cn3cnnc3O)CC2)C1 1035178806 CUISZHHZKSVOBV-UHFFFAOYSA-N 303.366 -0.069 30 20 DBED COCCn1cc(C(=O)NC[C@H]2CN(CC#N)CCO2)cn1 1035595700 LCYUSDQULXJDCN-ZDUSSCGKSA-N 307.354 -0.516 30 20 DBED C#CCCN1CCO[C@H](CNC(=O)[C@@H]2CCCS2(=O)=O)C1 1035608447 DCBNBOUVAHAHEY-OLZOCXBDSA-N 314.407 -0.596 30 20 DBED N#Cc1cccc(CN2C[C@H]3C[C@H]2[C@H]3NC(=O)Cn2cnnn2)c1 1037312364 UJBDPOMKYZQRHL-YCPHGPKFSA-N 323.360 -0.066 30 20 DBED CCNC(=O)CC(=O)N1CC[C@](O)(CNC(=O)C#CC2CC2)C1 1039680727 LTEOUEHJUOWYPX-INIZCTEOSA-N 321.377 -0.994 30 20 DBED C=CCCC(=O)N1CC[C@@](O)(CNC(=O)c2c[nH]c(=O)cn2)C1 1040715615 IYLZDLRDNGXWCZ-OAHLLOKOSA-N 320.349 -0.571 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)CN2CCCC2=O)C1 1041408150 NRCMTHAWOVLJAM-UHFFFAOYSA-N 309.366 -0.736 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)C[C@H]2CCCO2)C1 1041654582 GWMXTEOQOMHQHB-CHWSQXEVSA-N 324.377 -0.717 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(O)(CNC(=O)c2cocn2)C1 1042063673 CPNZLLXOGHRLGR-PWSUYJOCSA-N 321.333 -0.431 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(O)CN(C(=O)c2ccccn2)C1 1042809526 MKOXCARMCOOOKI-OAHLLOKOSA-N 319.361 -0.288 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)[C@@H](C)OCC=C)C1 1043570910 LFHVNGKTTXFJFG-GFCCVEGCSA-N 312.366 -0.530 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)c3csnn3)C2)nn1 1044354657 GVCAUUDACOONQO-SCZZXKLOSA-N 317.334 -0.821 30 20 DBED C[C@@H]1CO[C@@H](C(=O)NCC2(O)CN(C(=O)C#CC3CC3)C2)C1 1044557603 NKHARPWDJVWEEW-WCQYABFASA-N 306.362 -0.486 30 20 DBED N#CCN1CCC2(CC1)CO[C@H](CNC(=O)[C@@H]1COC(=O)N1)C2 1045669982 KLQOWECXOQCCAA-RYUDHWBXSA-N 322.365 -0.394 30 20 DBED CN1CCOC[C@H]1C(=O)N1CCN([C@@H]2CCN(CC#N)C2)CC1 1046019317 BYUGTKSECYMIHJ-CABCVRRESA-N 321.425 -0.941 30 20 DBED CC#CCN1CC[C@@H](N2CCN(C(=O)c3cnn(C)n3)CC2)C1 1046069901 MRIDJDSTPFUHEP-CQSZACIVSA-N 316.409 -0.330 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H]([C@@H](C)NC(=O)C2CC2)C1 1050490317 IHIIZKPJQXLKBQ-YPMHNXCESA-N 305.378 -0.111 30 20 DBED C[C@@H]1[C@@H](NC(=O)[C@@H]2CCNC2=O)CCN1c1cnc(C#N)cn1 1050849829 QATJNBJMFZDEPY-JLLWLGSASA-N 314.349 -0.432 30 20 DBED CC#CCN1CCC[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 1052751889 IYHGQYSDNAFEQU-RYUDHWBXSA-N 306.366 -0.422 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)C[C@H]1COC(=O)C1)CCO2 1053221469 NHLKUZMAGUJGSR-CYBMUJFWSA-N 306.362 -0.124 30 20 DBED C#CCN1CC2(C1)CN(C(=O)c1cnn3cccnc13)CCO2 1053369755 FKXVBTPLTFBKQA-UHFFFAOYSA-N 311.345 -0.111 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)[C@H]3CCNC(=O)C3)CO2)C1 1053774718 INWFJAXBYBSPBO-STQMWFEESA-N 305.378 -0.505 30 20 DBED CCn1ccc(CC(=O)N[C@@H]2COC3(C2)CN(CC#N)C3)n1 1053810648 YRGSRPUITCKOHZ-ZDUSSCGKSA-N 303.366 -0.071 30 20 DBED C=C(C)CN1CC2(C[C@@H](NC(=O)C[C@@H]3NC(=O)NC3=O)CO2)C1 1053831717 NJOACQPEBRWIEN-MNOVXSKESA-N 322.365 -0.880 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)Cc3nonc3C)CO2)C1 1053971958 VGAIILRDGRXYRJ-LBPRGKRZSA-N 304.350 -0.097 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)[C@H](C)N3CCOCC3)CO2)C1 1054025649 DSMCCOUTYRSVCO-GJZGRUSLSA-N 321.421 -0.310 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H]2CN(C(=O)CCC)C[C@@H]2C1 1055128853 XFLYKDMGRKBARB-BETUJISGSA-N 305.378 -0.157 30 20 DBED CNC(=O)C1(C(=O)N2C[C@@H]3CN(C(=O)[C@H](C)C#N)C[C@@H]3C2)CC1 1055395561 ZOYCCDZUSFWDEA-UTUOFQBUSA-N 318.377 -0.411 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC[C@@](CO)(NC(=O)C(F)F)C1 1055683141 TXXIURGBMMVNQU-IINYFYTJSA-N 318.320 -0.241 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)Cc1cnn(C)c1 1057165061 YYNUAZRKAOKPGU-LLVKDONJSA-N 307.354 -0.941 30 20 DBED Cc1ccnc(C(=O)NCCN(CCO)C(=O)C#CC2CC2)n1 1057531251 KQTDCBFUGWPHRJ-UHFFFAOYSA-N 316.361 -0.251 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)CC1CCN(C)CC1 1057573128 BGZIBHDETYSWSH-ZDUSSCGKSA-N 324.425 -0.185 30 20 DBED C#CCOCCC(=O)N(CCO)CCNC(=O)c1cnccn1 1057579559 PYZURTXCUREROD-UHFFFAOYSA-N 320.349 -0.933 30 20 DBED C#CCO[C@H](C)C(=O)N(CCO)CCNC(=O)c1oncc1C 1057584101 FBTNWBUIAWQPOD-GFCCVEGCSA-N 323.349 -0.428 30 20 DBED N#Cc1nc(=N[C@@H]2CCCN(C(=O)c3nccnc3N)C2)cc[nH]1 1057607290 ZXNLOTJSEBGJEP-SNVBAGLBSA-N 324.348 -0.141 30 20 DBED C=C(C)CCC(=O)N(CCO)CCNC(=O)[C@H](COC)OC 1057805365 BABJNVJMHBFQBD-ZDUSSCGKSA-N 316.398 -0.059 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)C[C@H]1CCNC1=O 1057828250 OLAXBFUMQLQSKV-CYBMUJFWSA-N 323.393 -0.747 30 20 DBED C#CCOCCC(=O)NCCN(CCO)C(=O)c1cc[nH]c1 1057843205 MSFATJDBQOLURF-UHFFFAOYSA-N 307.350 -0.395 30 20 DBED CCc1nn(C)cc1C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N 1057889084 WBQHEFZCSHBVCX-NSHDSACASA-N 321.381 -0.307 30 20 DBED N#Cc1cnc(N2CC[C@H](NC(=O)[C@H]3COCCO3)C2)cn1 1058304995 NVJCEIJMPBZVOU-CMPLNLGQSA-N 303.322 -0.541 30 20 DBED CCn1cc(C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N)nn1 1058666391 MTOMHUFUZGWLRT-JTQLQIEISA-N 308.342 -0.992 30 20 DBED Cn1cccc(C(=O)N[C@H]2C[C@H](N=c3cc[nH]c(C#N)n3)C2)c1=O 1059267553 CEELCKWHIDLJKI-XYPYZODXSA-N 324.344 -0.158 30 20 DBED C[C@@H](C#N)C(=O)NCC[C@H]1CCN(C(=O)C2(NC(N)=O)CC2)C1 1059498210 VZLRPQVXEKWFTQ-QWRGUYRKSA-N 321.381 -0.298 30 20 DBED N#Cc1cnc(N[C@@H]2CC[C@@H]3CN(C(=O)CC(N)=O)C[C@@H]32)cn1 1060524001 SVLNNMFEAIBWLY-ADEWGFFLSA-N 314.349 -0.127 30 20 DBED N#Cc1nc(=NC[C@@H]2CCN(C(=O)[C@H]3CCC(=O)N3)C2)cc[nH]1 1060826818 HCBKYKNMYFJDAH-WDEREUQCSA-N 314.349 -0.691 30 20 DBED C=C(C)CCC(=O)N1CCOC[C@H]1CNC(=O)CNC(N)=O 1061268961 HNOATGUHQUXLDM-LLVKDONJSA-N 312.370 -0.645 30 20 DBED CC(=O)N[C@@H](C)C(=O)N1CCOC[C@H]1CNC(=O)C#CC1CC1 1061570306 YBFHMCDSHKXZAQ-SMDDNHRTSA-N 321.377 -0.732 30 20 DBED Cc1ccc(C(=O)N2CCOC[C@H]2CNC(=O)[C@H](C)C#N)nn1 1061847356 KXHYLJITYBRPDP-ZYHUDNBSSA-N 317.349 -0.098 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@H](CNC(=O)CCc2ncc[nH]2)C1 1065556424 HJSIMFBAAQSGMN-VXGBXAGGSA-N 319.365 -0.154 30 20 DBED N#Cc1cncc(N2CCOC[C@H]2CNC(=O)[C@@H]2CCOC2)n1 1066470086 KJPGKPLUNBCPQF-DGCLKSJQSA-N 317.349 -0.294 30 20 DBED CN(CCCN(C)C(=O)c1nnn(C)n1)C(=O)C#CC1CC1 1067380322 JGDGWYHJZDYLLA-UHFFFAOYSA-N 304.354 -0.456 30 20 DBED N#Cc1cnc(N2C[C@@H](O)[C@@H](CNC(=O)c3ccon3)C2)cn1 1067654087 SBUHAHUAGUCGDQ-JOYOIKCWSA-N 314.305 -0.437 30 20 DBED CN(C(=O)[C@H]1CNC(=O)N1)C1CC(Nc2cncc(C#N)n2)C1 1069792522 XEARQGPMWXIHSY-BOBPJJCASA-N 315.337 -0.569 30 20 DBED C=CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H]2COC(=O)N2)C1 1069918137 AJPXTEFDLVFHDC-WOPDTQHZSA-N 320.353 -0.696 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)[C@@H](C)n4cncn4)C[C@@]3(C1)O2 1070790590 ZTJZYOXAVDFNET-HLPPOEQASA-N 315.377 -0.226 30 20 DBED C=CCOCC(=O)N[C@@H]1CCCN(C(=O)[C@H]2CCCNC2=O)C1 1070876856 TWWKOOFAVTWPSD-OLZOCXBDSA-N 323.393 -0.178 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)[C@@H]4CCC(=O)N4)C[C@@]3(C1)O2 1070881987 HQNKGACLCQZPCW-RSUWNVLCSA-N 303.362 -0.800 30 20 DBED C#CCCN1C[C@H](NC(=O)Cn2cnc(C(N)=O)n2)CC[C@@H]1C 1071517041 DQSNLZJHKHXHMT-NWDGAFQWSA-N 318.381 -0.631 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CN(C(=O)CCOCC)C[C@@H]1C 1071781026 GLTINOYDMWEMGO-STQMWFEESA-N 323.393 -0.484 30 20 DBED C[C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1NC(=O)CSCC#N 1072183501 JVMUNCPOGMSJRL-GHMZBOCLSA-N 322.394 -0.502 30 20 DBED C[C@@H](CCNC(=O)[C@@H]1CN(C)CCO1)NC(=O)C#CC1CC1 1076027008 CNVNMPNQHRFCHM-JSGCOSHPSA-N 307.394 -0.259 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2ccn(C3CCOCC3)n2)C1 1076998204 WZIOZZHBSOAQRY-HUUCEWRRSA-N 318.377 -0.357 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)c2ccoc2CC(N)=O)C1 1077575270 OVYKITUSRHBKPK-VXGBXAGGSA-N 305.334 -0.894 30 20 DBED CC(C)[C@@H](O)C(=O)N1CCC(CO)(NC(=O)[C@H](C)C#N)CC1 1080980087 JTPMFZXWNBQGHY-VXGBXAGGSA-N 311.382 -0.367 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@H](CNC(=O)COCC)C1 1081221221 QWNOLTIVGWLYSQ-NEPJUHHUSA-N 300.355 -0.839 30 20 DBED COCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)CSCC#N)C1 1081286711 OLDWOLLOWJINQJ-GHMZBOCLSA-N 315.395 -0.785 30 20 DBED C=CCOCC(=O)N1C[C@H](CNC(=O)c2ccon2)[C@@H](O)C1 1081304680 GZTKSCUPVLZGCC-JQWIXIFHSA-N 309.322 -0.574 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)Cc2cncnc2)C[C@H]1O 1081335342 KFVKLIUNHYGLGT-ZIAGYGMSSA-N 318.377 -0.079 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)Cc2cnoc2)C[C@@H]1O 1081340645 FZWMCNPYGRKNNY-STQMWFEESA-N 323.349 -0.645 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(C(=O)Cc2cc[nH]n2)C[C@@H]1O 1081472478 YQAJUOBCGLDTBM-JSGCOSHPSA-N 316.361 -0.699 30 20 DBED C=C(C)CCC(=O)NC[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1O 1081530988 MRSSOZDDECNANB-DGCLKSJQSA-N 321.381 -0.280 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@H]1CCCCN1C(=O)CC(N)=O 1081972387 VKUPXFSQINLKAK-XHDPSFHLSA-N 311.382 -0.314 30 20 DBED CC#CCN1C[C@@H](NC(=O)c2cncc(OC)n2)[C@H](OC)C1 1082203539 CZQILPYOUDXFIC-CHWSQXEVSA-N 304.350 -0.063 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)c2ccc(=O)n(CCOC)c2)C1 1083599792 MDUIPXDHQFJUDA-KGLIPLIRSA-N 321.377 -0.544 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCc3nncn3CC2)C1 1083652899 MBZIHYUQERJSBU-XQQFMLRXSA-N 305.382 -0.422 30 20 DBED CC(=O)Nc1ccccc1CC(=O)N[C@@H]1CN(CC#N)C[C@@H]1O 1083871957 JBTBQTIYODJMSH-CABCVRRESA-N 316.361 -0.128 30 20 DBED CC[C@@H](OC)C(=O)N[C@@H]1CN(c2nc(C)cc(C#N)n2)C[C@H]1O 1090374202 VVYSFHOXGMPRFE-JHJVBQTASA-N 319.365 -0.253 30 20 DBED CCO[C@@H](C)C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1O 1090391718 JWLPGTHEWAJIJN-HBNTYKKESA-N 305.338 -0.561 30 20 DBED C#CCN1CC[C@@H](NC(=O)Cc2ccnc(OC)c2)[C@@H](O)C1 1090573470 MVJKJZBLRYZGJT-KGLIPLIRSA-N 303.362 -0.183 30 20 DBED C=CCN1CC[C@H](NC(=O)c2ccc(=O)n(CC)n2)[C@@H](O)C1 1090652527 NIBAWOLHBNMNFX-AAEUAGOBSA-N 306.366 -0.386 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@@H]1O 1091091602 BDFDTJOAWZUBAX-XUJVJEKNSA-N 317.349 -0.659 30 20 DBED CC(C)OCC(=O)N[C@H]1CCN(c2cnc(C#N)cn2)C[C@@H]1O 1092140507 OXBZBZWLTWXIBL-STQMWFEESA-N 319.365 -0.171 30 20 DBED CNC(=O)NCC(=O)NCC1CC(Nc2nccnc2C#N)C1 1092269899 WHUZSZQLPVPGON-UHFFFAOYSA-N 317.353 -0.416 30 20 DBED CCNC(=O)CC(=O)NC1[C@@H]2CN(c3cnc(C#N)cn3)C[C@@H]12 1093267520 YMDBOOBTDBAIAH-GHMZBOCLSA-N 314.349 -0.575 30 20 DBED N#Cc1ccc(N2C[C@@H]3C(NC(=O)C4(C(N)=O)CC4)[C@H]3C2)cn1 1093355816 IGDNRDOPEVVMML-RYUDHWBXSA-N 311.345 -0.230 30 20 DBED N#Cc1ccc(NCCNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)nn1 1094203172 LULBQLMRYWXGBA-OLZOCXBDSA-N 316.365 -0.260 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)[C@H]3CCC(=O)NC3)CC2=O)C1 1094758272 ZSPXWZHQAXCZAG-NWDGAFQWSA-N 320.393 -0.900 30 20 DBED CN(C)CCOCC(=O)N1CC[C@@H](Nc2cncc(C#N)n2)C1 1095048884 RMPFJWHBZGWUMW-GFCCVEGCSA-N 318.381 -0.061 30 20 DBED N#CCSCC(=O)N[C@H]1CCN(c2ccc3nnnn3n2)C1 1096329257 NCKWZMRZDMCYCD-VIFPVBQESA-N 318.366 -0.529 30 20 DBED CC(=O)NCC(=O)NC[C@H](Nc1cncc(C#N)n1)C1CC1 1096560416 YQQHUVJMJGVYMH-LBPRGKRZSA-N 302.338 -0.209 30 20 DBED C=C(C)CNCc1cn([C@@H]2CCN(C(=O)CNC(C)=O)C2)nn1 1098600913 IHYJDHWLUSHHCH-CQSZACIVSA-N 320.397 -0.147 30 20 DBED CNS(=O)(=O)CC(=O)NC[C@@H]1CCC(C)(C)CN1CC#N 1099344151 HGMVWBAUVZLTAT-NSHDSACASA-N 316.427 -0.334 30 20 DBED CC#CCN1CC[C@@H](NC(=O)COCc2ccnn2C)[C@@H](O)C1 1099890140 NIZBEHPTOLBCDR-CABCVRRESA-N 320.393 -0.489 30 20 DBED C#CCCN1CC[C@H](NC(=O)CCCN(C)C(C)=O)[C@H](O)C1 1100092415 NEFPCMDXOFEMCH-LSDHHAIUSA-N 309.410 -0.180 30 20 DBED C=CCNC(=O)CNC1CC(CNC(=O)c2[nH]nnc2C)C1 1100558057 VLQFXLPYOGKIPD-UHFFFAOYSA-N 306.370 -0.487 30 20 DBED CC(=O)NCC(=O)NC[C@@H]1CCCN1c1cnc(C#N)cn1 1100770641 VVAIPFBGIAARRO-LBPRGKRZSA-N 302.338 -0.431 30 20 DBED C[C@H](CC(N)=O)C(=O)NC[C@@H]1CCN(c2ccc(C#N)nn2)C1 1101036960 WOBGCYVALQPBBO-MNOVXSKESA-N 316.365 -0.198 30 20 DBED COC[C@H](OC)C(=O)NC[C@@H]1CCN(c2ccc(C#N)nn2)C1 1101049777 BFKPBBKVQLXAPQ-AAEUAGOBSA-N 319.365 -0.048 30 20 DBED C#CCNC(=O)[C@H](C)NC1CC(CNC(=O)c2[nH]cnc2C)C1 1101077248 ULKGTNSXPOEEBI-HIFPTAJRSA-N 317.393 -0.046 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)CSCC#N)C1 1101736225 TXXRIJJMBNQOGC-CHWSQXEVSA-N 322.434 -0.323 30 20 DBED CN1C[C@H](C(=O)N(C)CCN=c2cc[nH]cc2C#N)NC1=O 1101902663 AHOHFJNGZGBRSG-GFCCVEGCSA-N 302.338 -0.731 30 20 DBED C[C@@H](CNC(=O)CCNC(N)=O)CNc1cnc(C#N)cn1 1103967974 UGAHYFZBUQVSAQ-SECBINFHSA-N 305.342 -0.429 30 20 DBED C[C@@H](CNC(=O)Cn1cncn1)CNc1nccnc1C#N 1103969305 OAWVHZWTOWHAFP-JTQLQIEISA-N 300.326 -0.196 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)c1cncnc1O 1104118401 OQTGQARBSDTHOG-SECBINFHSA-N 313.321 -0.256 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)[C@H]1CCNC(=O)C1 1104506138 LBUVMQKVVCZTEB-MNOVXSKESA-N 316.365 -0.445 30 20 DBED C[C@H](CNc1cnc(C#N)cn1)N(C)C(=O)CN1CCOCC1 1104526831 HVCWHFYSEOARSO-GFCCVEGCSA-N 318.381 -0.061 30 20 DBED C[C@@H]1OCCO[C@@H]1C(=O)N(C)[C@@H](C)CN=c1cc[nH]c(C#N)n1 1104864525 KNSPYWRRVDHQEG-MJVIPROJSA-N 319.365 -0.167 30 20 DBED C#CCNCc1cn(C2CN(C(=O)CC3OCCCO3)C2)nn1 1105221172 BDXONPRPBODTCF-UHFFFAOYSA-N 319.365 -0.463 30 20 DBED C[C@H](NC(N)=O)C(=O)N(C)CCN(C)c1ccc(C#N)nn1 1105379587 BUAJDMCLUIAYRA-VIFPVBQESA-N 305.342 -0.700 30 20 DBED CN(CCN(C)c1cncc(C#N)n1)C(=O)C(C)(C)C(N)=O 1105490630 XWRBAQWVWCIFTG-UHFFFAOYSA-N 304.354 -0.246 30 20 DBED N#Cc1cnc(NC[C@H](O)CNC(=O)[C@H]2CCC(=O)N2)c(F)c1 1105751138 VXUVFUJJRILFIQ-GXSJLCMTSA-N 321.312 -0.740 30 20 DBED CCn1nccc1C(=O)NC[C@@H](O)CNc1cncc(C#N)n1 1105800330 MNSBMKLGTONTEP-NSHDSACASA-N 315.337 -0.233 30 20 DBED Cc1nc(NC[C@H](O)CNC(=O)c2cnon2)ccc1C#N 1105928883 VCCUJWYBBGECGK-JTQLQIEISA-N 302.294 -0.153 30 20 DBED Cc1cnoc1C(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1 1105939409 RALDKLRRYFZBOC-SECBINFHSA-N 302.294 -0.731 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)CCS(=O)(=O)NC)C[C@H]1C 1106122980 IYGXKMUCNOPAPY-CHWSQXEVSA-N 315.439 -0.367 30 20 DBED C=CCNC[C@@H]1CN(C(=O)CCn2ncn(C)c2=O)C[C@H]1C 1106469924 QTAMJADRSVTWNE-CHWSQXEVSA-N 307.398 -0.158 30 20 DBED C[C@H](CCNc1nccnc1C#N)NC(=O)[C@H]1C[C@H]1C(N)=O 1106568795 BZLBCVXESFHVLR-BBBLOLIVSA-N 302.338 -0.224 30 20 DBED C[C@@H](C(=O)NC/C=C/CNc1nccnc1C#N)S(C)(=O)=O 1107576377 LUPQDKUHZFJNAN-FSIBCCDJSA-N 323.378 -0.134 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@]1(C)CN(Cc2cnon2)CCO1 1107940939 ZAXGGFUUFKYTII-DOMZBBRYSA-N 322.365 -0.185 30 20 DBED C[C@@H](CN(C)c1ccc(C#N)nn1)NC(=O)[C@@H]1COCCO1 1108829775 URLIKEPUJKVVAQ-JQWIXIFHSA-N 305.338 -0.295 30 20 DBED CNC(=O)CC(=O)N[C@@H](CNc1ccc(C#N)nn1)C1CC1 1109842082 REURUQQHBJKUGZ-NSHDSACASA-N 302.338 -0.209 30 20 DBED N#Cc1ccc(NC[C@H](NC(=O)C(N)=O)C2CCCC2)nn1 1110679230 OPIAIIUTUGXFFZ-NSHDSACASA-N 302.338 -0.080 30 20 DBED CCC(=O)NCC(=O)N[C@@]1(C)CCN(c2cnc(C#N)cn2)C1 1110733834 SSZKHQIQNQGUPD-HNNXBMFYSA-N 316.365 -0.041 30 20 DBED CN(C)CCC(=O)NC[C@@]1(O)CCN(c2ccnc(C#N)n2)C1 1111124701 RVAOUKJPQUATMQ-HNNXBMFYSA-N 318.381 -0.643 30 20 DBED CO[C@H](C)C(=O)N(C)[C@H]1CN(c2nc(C)cc(C#N)n2)C[C@@H]1O 1111171256 WFYTVKXFNAZWQS-WXHSDQCUSA-N 319.365 -0.301 30 20 DBED C#CCO[C@H](C)C(=O)N(C)[C@H]1CN(c2ncc(F)cn2)C[C@@H]1O 1111190863 WBIVPDQEYQNXGK-WXHSDQCUSA-N 322.340 -0.338 30 20 DBED N#Cc1ccc(N2CCOC[C@@H]2CNC(=O)CC(N)=O)nc1 1111679055 DLPRSKLIPUNECV-NSHDSACASA-N 303.322 -0.850 30 20 DBED C=CCNC(=O)NC(=O)CN1CCN(C(=O)[C@@H](C)C#N)CC1 1112711973 XRLGNSDCCTUAAJ-NSHDSACASA-N 307.354 -0.698 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 1112754057 ITMBOXGMEZHSKZ-LBPRGKRZSA-N 313.361 -0.218 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCN(C[C@@H](O)COC)CC1 1112977023 JAODQNAMDIEMIA-CABCVRRESA-N 309.410 -0.765 30 20 DBED C[C@H](NC(N)=O)C(=O)NC[C@@H](C)N(C)c1ccnc(C#N)n1 1113577877 MRTZMKCUPHGRBL-BDAKNGLRSA-N 305.342 -0.654 30 20 DBED CCN1CCCC[C@H]1C(=O)N1CCN(CC(=O)NCC#N)CC1 1113687850 PEAKCFVRGWXGLE-AWEZNQCLSA-N 321.425 -0.355 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)c3snnc3C)[C@@H]2C1 1113839573 PSAKUKBHTAGJFO-NXEZZACHSA-N 321.406 -0.191 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)C[C@](C)(O)C3CC3)[C@@H]2C1 1114148126 ALISJNROLVKSOF-XNJGSVPQSA-N 321.421 -0.114 30 20 DBED CCCC[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)CNC(C)=O 1114193172 QKPYATHARVRXAM-LBPRGKRZSA-N 318.381 -0.007 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)c3csnn3)[C@H]2C1 1114633026 RWBWJZLNEBKOAW-GUBZILKMSA-N 319.390 -0.664 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)Cc3cnoc3)[C@@H]2C1 1114725105 YMDBXFWLKBKREP-VXGBXAGGSA-N 302.334 -0.987 30 20 DBED COc1ccc(C(=O)N[C@H]2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]32)o1 1115007664 NAOIDPNPFHORHB-MSRIBSCDSA-N 318.333 -0.412 30 20 DBED C=CCOCCN1C[C@@H]2C(NC(=O)COCCN(C)C)[C@H]2C1 1115126158 JDMOAYFFLODZBF-KBPBESRZSA-N 311.426 -0.186 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)CCCC(=O)N(C)C)[C@H]2C1 1115138578 WLQADGSVLSBZJW-HALDLXJZSA-N 321.421 -0.059 30 20 DBED C[C@H](C#N)C(=O)NCCOCCN(C)c1ccc2nnnn2n1 1115187348 VXIVRCDPWYEDLL-SNVBAGLBSA-N 318.341 -0.752 30 20 DBED C=CCOCCN1C[C@H]2C(NC(=O)CCc3cn(C)nn3)[C@@H]2C1 1115358025 GJCDRYXELYXXGU-ZIAGYGMSSA-N 319.409 -0.003 30 20 DBED C#CCCCCNC(=O)C(=O)Nc1cc(C)n(CC(=O)NC)n1 1116438779 OTHKNWCVHWPGOR-UHFFFAOYSA-N 319.365 -0.204 30 20 DBED C#CCOCCNC(=O)CCc1nc(O)c2cnn(C)c2n1 1116569401 KHUCETVDNHVRPW-UHFFFAOYSA-N 303.322 -0.233 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN3CCC[C@@H]3C2)CCO1 1117039530 ATRAOFYCCNHRSS-YNEHKIRRSA-N 306.366 -0.520 30 20 DBED Cc1nnc(CNC(=O)C(=O)N2CCC[C@](C)(C#N)C2)n1C 1117171551 BSYSRGVPFOCUSB-CQSZACIVSA-N 304.354 -0.108 30 20 DBED CN(C)CCOCCNC(=O)C(=O)N1CCC[C@](C)(C#N)C1 1117471605 KHCIPRKZJPCFGL-OAHLLOKOSA-N 310.398 -0.167 30 20 DBED CC(C)N1C[C@H](NC(=O)C(=O)N2CCC[C@H](C#N)C2)CC1=O 1119687182 RGDMKNOIIKLCCD-VXGBXAGGSA-N 306.366 -0.126 30 20 DBED COCCCC(=O)NC[C@@H](CO)N=c1cc(C)[nH]cc1C#N 1121085723 ACTVOIRWPYXKKF-ZDUSSCGKSA-N 306.366 -0.001 30 20 DBED Cc1nc(N[C@H](CO)CNC(=O)[C@@H]2COCCO2)ccc1C#N 1121144723 UOBSCSSBZZMPEJ-STQMWFEESA-N 320.349 -0.434 30 20 DBED Cc1cc(C(=O)NC[C@H](CO)Nc2ccc(C#N)nn2)n(C)n1 1121149899 DEJFAHDNNDPBSW-LLVKDONJSA-N 315.337 -0.407 30 20 DBED Cc1ccc(C(=O)NC[C@@H](CO)N=c2cc[nH]c(C#N)n2)o1 1121176858 AECINJVZPVBTSL-JTQLQIEISA-N 301.306 -0.126 30 20 DBED N#Cc1nccnc1N[C@@H](CO)CNC(=O)c1ccnc(O)c1 1121311149 PKCFGKPUEGHXIZ-SNVBAGLBSA-N 314.305 -0.348 30 20 DBED C[C@](O)(CC(=O)NC[C@H](CO)N=c1cc[nH]cc1C#N)C1CC1 1121340475 XWMATKHISOBSHH-CJNGLKHVSA-N 318.377 -0.185 30 20 DBED N#Cc1nccnc1N[C@H](CO)CNC(=O)[C@H]1CCCCO1 1121454302 IGYKNISMRZKUAP-CMPLNLGQSA-N 305.338 -0.194 30 20 DBED Cn1ccc(CC(=O)NC[C@H](CO)Nc2cnc(C#N)cn2)n1 1121481719 REXGQVCSADXOFM-GFCCVEGCSA-N 315.337 -0.787 30 20 DBED Cc1n[nH]c(C)c1C(=O)NC[C@@H](CO)N=c1cc[nH]cc1C#N 1121919819 FMSKPDJZJXLHGS-LBPRGKRZSA-N 314.349 -0.082 30 20 DBED CN(C)C(=O)CC(=O)NC[C@H](CO)Nc1ccc(C#N)cn1 1122637138 RFAMXCGSMYPSFW-LLVKDONJSA-N 305.338 -0.679 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)c1cocn1 1124200446 NPKFYWOAGLIEQO-SECBINFHSA-N 302.294 -0.697 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)Cc2ccn(C)n2)C1=O 1126971429 BYIAZEDBYHGTDY-ZDUSSCGKSA-N 305.382 -0.545 30 20 DBED CC(C)(C(=O)NCCNCC(=O)NCC#N)[C@H]1CCCCO1 1127524513 NXIYIZYQMIVXNI-GFCCVEGCSA-N 310.398 -0.073 30 20 DBED C=CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H](C)NC(C)=O)C1 1128653347 XSSHEOCNGRSWQP-YUTCNCBUSA-N 320.397 -0.280 30 20 DBED Cn1cnc([C@@H]2CN(C(=O)CCCC(N)=O)C[C@H]2NCC#N)c1 1130741437 BQYWZUSRULDZMR-WCQYABFASA-N 318.381 -0.517 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1ccnc2c1CC(=O)N2 1130819384 SJXYUFGRPYIUCG-UHFFFAOYSA-N 317.349 -0.802 30 20 DBED COCCCOCC(=O)N1C[C@H]2C[C@@H]3CN(CC#N)C[C@]2(C1)O3 1131283574 VGGRKXHSFVDUCL-IIAWOOMASA-N 323.393 -0.135 30 20 DBED C#CCCN1C[C@H](NC(=O)CCS(=O)(=O)NC)CC[C@@H]1C 1132039583 ZOXJFCRXMYAPKO-QWHCGFSZSA-N 315.439 -0.082 30 20 DBED C[C@H]1CC[C@@H](NC(=O)c2cnn[nH]2)CN1CC(=O)NCC#N 1132146069 XADOMFWHTQPTBY-VHSXEESVSA-N 305.342 -0.973 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)c2c(C)cnn2C)C1=O 1132548111 BBDAYOICYKXFJM-GFCCVEGCSA-N 305.382 -0.165 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1occc1CN(C)C 1132985543 IICRORLDOHDHET-LBPRGKRZSA-N 320.393 -0.202 30 20 DBED C=CCCN[C@H](C)C[C@H](C)NC(=O)Cn1ccc(=O)n(C)c1=O 1134541470 RCSZTYBXAZCOGU-OLZOCXBDSA-N 322.409 -0.004 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)NCCN[C@H](C)c1nnnn1C 1134816297 BJTJFQADAVUGID-ZYHUDNBSSA-N 323.401 -0.552 30 20 DBED C=CCn1cc(C(=O)NCCNCCOC[C@@H]2CCCO2)nn1 1134973383 PBIFXNKSLBXZGM-ZDUSSCGKSA-N 323.397 -0.021 30 20 DBED C=CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)C1(C(N)=O)CC1 1135348608 IERQUQJRKMIRDK-MNOVXSKESA-N 310.398 -0.573 30 20 DBED N#Cc1cccc(CNCCNC(=O)CN2CC(=O)NC2=O)c1 1135457918 XTPQLLLGYLGUMV-UHFFFAOYSA-N 315.333 -0.684 30 20 DBED CNC(=O)C1(C(=O)N[C@H](C)C[C@H](C)NCC(=O)NCC#N)CC1 1135676571 YRGRGOCADZTRDE-WDEREUQCSA-N 323.397 -0.975 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)[C@H]1CCO[C@H]1C)C2 1148488022 JFEZTARFQHHIJI-KBPBESRZSA-N 319.405 -0.305 30 20 DBED C#CCCN1CCCO[C@H](CNC(=O)C[C@@H]2CCNC2=O)C1 1149853612 BYVMHFJJZMRMKD-UONOGXRCSA-N 307.394 -0.257 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@H]1CCCN1C(=O)C(C)C 1151456620 PVZYKEGMLXRLMN-CYBMUJFWSA-N 324.425 -0.359 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)c1cn(C)c(O)n1 1155046086 GJWFVLLPUYRDJX-LLVKDONJSA-N 321.381 -0.685 30 20 DBED N#Cc1cc(CNCCCNC(=O)Cn2ncnn2)ccc1F 1158163057 ICKOCGBPHGEQEX-UHFFFAOYSA-N 317.328 -0.020 30 20 DBED COc1nc(C)ncc1C(=O)NCCCNCC(=O)NCC#N 1159460550 GFLOGBAISHFTFF-UHFFFAOYSA-N 320.353 -0.857 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1cc(O)nc(CC)c1 1162669659 SHXNVKCRMLTBPV-UHFFFAOYSA-N 318.377 -0.192 30 20 DBED C=CCOCCNCCCNC(=O)CCn1ncn(C)c1=O 1163189969 TZHZFOOLZLEBBZ-UHFFFAOYSA-N 311.386 -0.730 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)CN1CCC(C)(C)C1 1166736546 NMHDIFNTTNEFOL-CQSZACIVSA-N 322.453 -0.048 30 20 DBED C=CCn1cc(C(=O)NCCC2(CNCC(=O)NC)CC2)nn1 1167411403 OVAVGOWMHXGKDR-UHFFFAOYSA-N 320.397 -0.300 30 20 DBED C=C(Cl)CNCCCNC(=O)c1cn(C)c(=O)n(C)c1=O 1167549523 MCXBOZZPHABBMO-UHFFFAOYSA-N 314.773 -0.454 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)c2cn(C)nn2)[C@H]1C 1178610840 AHFVFQPUHKKXNC-WOPDTQHZSA-N 320.397 -0.302 30 20 DBED C=CCNC[C@]1(C)CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@H]1C 1181517074 FKWOVEKFKJYIKY-IAQYHMDHSA-N 320.397 -0.363 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)COCC(F)F)C1 1184577249 WDXIKKMZTVCPPV-GHMZBOCLSA-N 317.336 -0.404 30 20 DBED C[C@H]1CN(C(=O)Cn2ccc(O)nc2=O)CC[C@@H]1CNCC#N 1184748700 VEMIJXRBYZWUJT-NWDGAFQWSA-N 319.365 -0.453 30 20 DBED C=C(Cl)CN[C@@H]1CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)C1 1186119932 ZSOIUJKSUQLEHP-MNOVXSKESA-N 316.789 -0.691 30 20 DBED C=CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3cnn(C)c3)[C@@H]2C1 1186778069 FIWGFCKUDPEVIL-GXTWGEPZSA-N 317.393 -0.131 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)c2ccco2)C1 1190676132 JMFACXQUGIUMLW-IJLUTSLNSA-N 305.334 -0.808 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2ccccc2)C1 1190676973 WGPSDYMCDVVLGW-ZIAGYGMSSA-N 301.346 -0.789 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(Cc2ncc(C)o2)C[C@H]1O 1192524742 LCRRHHJHMJCLDP-JMSVASOKSA-N 309.366 -0.029 30 20 DBED Cc1cnn(CC(=O)N2CCCN(CC(=O)NCC#N)CC2)c1 1195045349 ZODGYJIPNMNIKL-UHFFFAOYSA-N 318.381 -0.634 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)CC(=C)C)C1 1195531754 IVXDINZOHLZVMB-BFHYXJOUSA-N 307.394 -0.501 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCN(C)C2)C1 1197792604 NSFFJEPUWDEIFJ-RRFJBIMHSA-N 311.426 -0.308 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)[C@H](C)n2cncn2)CC1 1200118128 MBDLQMBXUAPLFD-LBPRGKRZSA-N 320.397 -0.278 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC(NCC(=O)NC)CC1 1202802466 UJHKHBKQWJUHKQ-AWEZNQCLSA-N 324.425 -0.216 30 20 DBED C#CCNC(=O)[C@@H](C)NCC1CCN(C(=O)COCC)CC1 1204363657 CTWMQEHBTSWRHK-CYBMUJFWSA-N 309.410 -0.011 30 20 DBED C#CCCNCC1CCN(C(=O)CN2CCN(C)C(=O)C2)CC1 1205562612 YPXKDGKXOWLPAR-UHFFFAOYSA-N 320.437 -0.388 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN([C@H]2CCCNC2=O)C[C@H]1C 1206959935 LALXDPWEEWRTGZ-MCIONIFRSA-N 307.394 -0.259 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2c[nH]nc2C)[C@H](C)C1 1208257605 DBUNBXVIBSFRIC-ZWNOBZJWSA-N 303.366 -0.482 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1NC(=O)C[C@@]1(C)CCS(=O)(=O)N1 1210636541 VIBKCPMPRDWWJU-NQBHXWOUSA-N 314.411 -0.582 30 20 DBED C#CCN1CCC(C(=O)N2CCC[C@@H](NCC(=O)NC)C2)CC1 1211234289 XQWUCOGIOHOGQU-OAHLLOKOSA-N 320.437 -0.342 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)C2=CCCC2)[C@H](OC)C1 1212116925 JNQLDKFTJUKMRG-ZIAGYGMSSA-N 305.378 -0.339 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2nncs2)C[C@H]1OC 1212262105 BAWVWHOLIJZVGT-VXGBXAGGSA-N 324.406 -0.107 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)CC(=O)NCC)C[C@H]1C 1214480376 VHUKSRBEPCQRCO-VXGBXAGGSA-N 310.398 -0.749 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)C#CC1CC1 1217835583 XHBHJIWHVBCYFD-LSDHHAIUSA-N 315.373 -0.939 30 20 DBED Cc1cnc(CN2C[C@H](O)[C@H](NC(=O)CSCC#N)C2)o1 1219219730 KGXDHIAIEIHAED-MNOVXSKESA-N 310.379 -0.099 30 20 DBED CCNC(=O)CC(=O)N1C[C@H]2CCN(CC#CCOC)C[C@H]21 1221495940 AIWWTCHATRXPNL-ZIAGYGMSSA-N 307.394 -0.305 30 20 DBED C#CCNC(=O)CC(=O)NCC1CCN(C[C@H](C)OC)CC1 1222907765 QFQKMUMEPHTNLH-ZDUSSCGKSA-N 309.410 -0.011 30 20 DBED C#CCN1CC[C@@H]2CCN(C(=O)COCc3ncnn3C)C[C@@H]21 1223808096 VMTWEPWOYFBQSQ-KGLIPLIRSA-N 317.393 -0.112 30 20 DBED Cc1ncc(C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NCC#N)[nH]1 1225337983 XLJWIVMHNOJMCU-VXGBXAGGSA-N 318.381 -0.012 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)[C@]2(C)CCOC2)CC1 1229731229 ACCDEPVNBLZYNW-MRXNPFEDSA-N 307.394 -0.257 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)C[C@@H]1COC(=O)C1 1233653445 LMSFCFSLFMBZNG-STQMWFEESA-N 321.377 -0.778 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@H]1CN(C)C(=O)c1cnnn1C 1233990166 HFRRENITENMZDS-NEPJUHHUSA-N 318.381 -0.901 30 20 DBED CN(C[C@@H]1CCN1CC(=O)NCC#N)C(=O)[C@@]12COC[C@@H]1C2 1234402510 LSKIYIZQURPJQL-HUBLWGQQSA-N 306.366 -0.805 30 20 DBED COCC#CCN1CC[C@H]1CN(C)C(=O)CN1CCOCC1=O 1235410372 RBHAVFQZCJVHHM-AWEZNQCLSA-N 323.393 -0.972 30 20 DBED CN(C[C@H]1CCN1CC(=O)NCC#N)C(=O)c1ccsn1 1235687545 YAQGHONMBLZQJM-SNVBAGLBSA-N 307.379 -0.071 30 20 DBED C=CCN1CCC(NC(=O)C(=O)N2CC[C@@H]([C@@H](C)O)C2)CC1 1256780202 SGVYSHIIJSEVGK-CHWSQXEVSA-N 309.410 -0.018 30 20 DBED C[C@H]1CO[C@H](C)CN1C(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1261850124 ZVIVOQNWRANRIM-SCRDCRAPSA-N 320.393 -0.179 30 20 DBED CC#CCCNC(=O)C(=O)Nc1ccc(=O)n(CCOC)c1 1321671758 BBTRQICYLRTXAK-UHFFFAOYSA-N 305.334 -0.037 30 20 DBED N#CCCCS(=O)(=O)NC1CCC2(CC1)NC(=O)NC2=O 1322440088 HJFIYUNVIOLWSI-UHFFFAOYSA-N 314.367 -0.270 30 20 DBED COCc1ccccc1NC(=O)C(=O)NCC(=O)NCC#N 1323811219 YXIZKPWVFZBGRY-UHFFFAOYSA-N 304.306 -0.473 30 20 DBED C[C@@H](CC(N)=O)NC(=O)C(=O)Nc1cccc(OCC#N)c1 1326639816 YKRMWFQHRMFJEA-VIFPVBQESA-N 304.306 -0.092 30 20 DBED C=C(C)CN(C)C(=O)C(=O)N1CC[C@H](CS(C)(=O)=O)C1 1328562923 XPCRKHOJMOTZQJ-NSHDSACASA-N 302.396 -0.086 30 20 DBED CCS(=O)(=O)CCNC(=O)C(=O)N1CCC[C@H](CC#N)C1 1328903196 NQTOJAFLSJLEPN-LLVKDONJSA-N 315.395 -0.310 30 20 DBED C#CC[C@H](NC(=O)N(C)[C@H]1CCS(=O)(=O)C1)C(=O)OC 1329368107 FRNVGQSNSAIGPD-UWVGGRQHSA-N 302.352 -0.620 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N(C[C@@H](C)O)C1CC1 1333011604 CZFGQOFNALHSNO-SNVBAGLBSA-N 318.395 -0.925 30 20 DBED C=CCn1c(-c2nc[nH]n2)nnc1N1CCN2CCOC[C@H]2C1 1339606723 LXEGLQKZXIBTHB-LLVKDONJSA-N 316.369 -0.230 30 20 DBED COC(=O)[C@@H](C)CNC(=O)C(=O)Nc1cc(C)n(CCC#N)n1 1341494537 VKOHGTYCZPYQIP-VIFPVBQESA-N 321.337 -0.031 30 20 DBED C=CCn1c(N2CCNC(=O)[C@@H]2CC)nnc1[C@@]1(O)CCOC1 1342442812 LLSWRTMMEQDLCP-XHDPSFHLSA-N 321.381 -0.213 30 20 DBED CNC(=O)COc1ccc(C(=O)[C@@H](C#N)C(=O)NC)cc1OC 1343990383 JFNSWVZOUGIPIV-SNVBAGLBSA-N 319.317 -0.112 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N1CC[C@H]2NC(=O)CC[C@H]2C1 1346966765 IXIGYRJPOXOHMH-QWHCGFSZSA-N 323.393 -0.226 30 20 DBED CNS(=O)(=O)N1CCC(C(=O)N[C@@]2(C#N)CC2(C)C)CC1 1347540379 YPNRHMQRQJJASB-CYBMUJFWSA-N 314.411 -0.029 30 20 DBED C#CCOCCN(C)C(=O)c1cn(C[C@H]2CNC(=O)O2)nn1 1348897954 AATMFHCHZABJFS-SNVBAGLBSA-N 307.310 -0.892 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)NCCCCCCN)CCN1C1CC1 1353047901 IQURTIBVIPXCCL-CQSZACIVSA-N 321.425 -0.180 30 20 DBED C#CCN1CCN(c2nnc([C@@H](C)S(C)(=O)=O)n2C)CC1 1355490524 NGBLVOSGOWUVCL-LLVKDONJSA-N 311.411 -0.324 30 20 DBED Cc1cc(CNC(=O)CCn2cc(C#N)c(O)nc2=O)no1 1361956919 IIEGUUBTOIWVGO-UHFFFAOYSA-N 303.278 -0.177 30 20 DBED C[C@H]1CN(C2CC2)C[C@H]1NC(=O)Cn1cc(C#N)c(O)nc1=O 1362246299 SPEWEGGVMUWPAW-JOYOIKCWSA-N 317.349 -0.581 30 20 DBED COC(=O)C[C@@H]1CCCCN1c1[nH]c(=O)n(C)c(=O)c1C#N 1364230496 KOOKGAFXGQELPY-VIFPVBQESA-N 306.322 -0.133 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCN(C)C[C@H]1CCS(=O)(=O)C1 1367511173 PSFJBRQXIUDKAF-NWDGAFQWSA-N 301.412 -0.029 30 20 DBED CCN(CCNC(=O)c1ccc(C(N)=O)[nH]1)C(=O)[C@H](C)C#N 1373955993 QYXNSGDMBVIOBW-SECBINFHSA-N 305.338 -0.148 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)[C@H]2CCCC(=O)N2C)CC1 1379084434 YKCDWROTRUPDKW-WDEREUQCSA-N 306.366 -0.078 30 20 DBED C=C(Cl)CNC1(CNC(=O)CNS(=O)(=O)CC)CC1 1380082594 TWRQUPOKGGRWSX-UHFFFAOYSA-N 309.819 -0.083 30 20 DBED COCCN(CCNC(=O)Cc1ncc[nH]1)C(=O)[C@H](C)C#N 1383330211 MWTSNEPYRSTTLM-LLVKDONJSA-N 307.354 -0.297 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](NC(=O)CCNC(N)=O)C(C)(C)C 1384354345 CBNSUMAQUWGQTR-ZJUUUORDSA-N 311.386 -0.148 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H]2CCN(C(=O)CCCC(N)=O)C2)c1 1407775276 XQFPDPGXJCXAHT-NSHDSACASA-N 317.349 -0.127 30 20 DBED C[C@@H](C#N)C(=O)N(CCNC(=O)[C@@H]1CN(C)CCO1)C1CC1 1408905967 CEPXWQYYOFKAHD-AAEUAGOBSA-N 308.382 -0.416 30 20 DBED N#Cc1cn(CCNC(=O)c2cccc(CO)c2)c(=O)nc1O 1412375060 SEJODCJWYMGGNF-UHFFFAOYSA-N 314.301 -0.257 30 20 DBED CN(Cc1nc(=O)o[nH]1)C(=O)CNC(=O)c1ccc(C#N)cc1 1418188295 MPGCIQPLHFZKOV-UHFFFAOYSA-N 315.289 -0.377 30 20 DBED C[C@@H](CNC(=O)CNC(=O)N1CCCC1)NC(=O)[C@H](C)C#N 1430532357 RBFSGCVWTLBLDN-MNOVXSKESA-N 309.370 -0.428 30 20 DBED C[C@@H](C#N)C(=O)NC1CN(C(=O)COCc2ccnn2C)C1 1432340162 NSQKFLXUMSECJW-JTQLQIEISA-N 305.338 -0.577 30 20 DBED CC(=O)N1CCC[C@@H](C(=O)N2CC(CNC(=O)[C@@H](C)C#N)C2)C1 1432477553 UEMGKHYVEPUUHL-SMDDNHRTSA-N 320.393 -0.021 30 20 DBED N#C[C@@H]1CCCN(C(=O)CCn2cc(S(N)(=O)=O)cn2)C1 1434351439 VGYAHGIHAGZYSJ-JTQLQIEISA-N 311.367 -0.317 30 20 DBED CCN(CC)C(=O)CN1CCN(CCNC(=O)[C@@H](C)C#N)CC1 1436700920 UJIWIWVNUGHKDY-AWEZNQCLSA-N 323.441 -0.252 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@](C)(NC(=O)CCS(C)(=O)=O)C1 1459408377 QVDOJTVVORVZCP-GXFFZTMASA-N 315.395 -0.312 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H](CNC(=O)CNC(=O)C1CC1)C1CC1 1493487708 MYUVSJBCYNFCPS-CABZTGNLSA-N 306.366 -0.317 30 20 DBED CC(F)(F)C(=O)NC[C@@H](O)CNC(=O)c1cc(C#N)c[nH]1 1533148952 QBCCCXGFBOZEGP-QMMMGPOBSA-N 300.265 -0.252 30 20 DBED C#CCNC(=O)C1CCN(C(=O)[C@]2(C)C[C@@H](N)CCO2)CC1 1574706866 IXRNXXLVNBNGTM-BBRMVZONSA-N 307.394 -0.129 30 20 DBED C[C@@H]1[C@@H](C)[S@](=O)CCN1c1cnc(C#N)c(-c2nn[nH]n2)n1 1575871040 XYYDUAKKTDKFMD-ISZSSDBGSA-N 318.366 -0.126 30 20 DBED C#CCO[C@@H](C)C(=O)NCCNc1nccnc1-c1nn[nH]n1 1588357923 QJZUQAJZGAKXDW-VIFPVBQESA-N 316.325 -0.777 30 20 DBED C#Cc1cccc(NC(=O)NC(=O)CN[C@](C)(CO)C(=O)O)c1 1588524836 UXSOHYVZCKBOIO-OAHLLOKOSA-N 319.317 -0.259 30 20 DBED C=C(C)C[C@@H](NS(=O)(=O)CCn1nc(C)oc1=O)C(=O)O 1588553099 GWCJKXZTQRZZPP-SECBINFHSA-N 319.339 -0.516 30 20 DBED C=CCN(CC(=O)O)S(=O)(=O)c1ccc(-c2nn[nH]n2)o1 1588627895 LTFYYWXQYRPXPU-UHFFFAOYSA-N 313.295 -0.279 30 20 DBED C[C@H]1CN(S(=O)(=O)c2ccc(C#N)cc2C(=O)O)CC(=O)N1 1594553930 IITIHKMDOIJFBK-QMMMGPOBSA-N 323.330 -0.235 30 20 DBED CCN(CCC#N)S(=O)(=O)N1C[C@H](O)C[C@@H](C(=O)O)C1 1596299685 VLHJUCZGSFESPE-NXEZZACHSA-N 305.356 -0.766 30 20 DBED C[C@H]1CN(S(=O)(=O)c2cccnc2C#N)C[C@@H](C(=O)O)O1 1599931105 HZXOZUVFJCYGBP-WPRPVWTQSA-N 311.319 -0.184 30 20 DBED N#CCNC(=O)CNS(=O)(=O)[C@H]1CCCC[C@H]1C(=O)O 1601074645 KOISFNGHFZJJTK-BDAKNGLRSA-N 303.340 -0.811 30 20 DBED CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)C1(C#N)CCC1)C(=O)O 1607377161 ABGUGOAZXCUGAB-QPUJVOFHSA-N 300.336 -0.316 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)NC1(CC(=O)O)CCOCC1 1609630793 FIBOVSPJJALQRH-SNVBAGLBSA-N 319.383 -0.064 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N[C@@H]1CCc2c(nnn2C)C1 1645920589 CIFVWKXGFPFYOY-VHSXEESVSA-N 312.399 -0.259 30 20 DBED N#CC[C@@H]1CCCN(C(=O)Cn2cc(S(N)(=O)=O)cn2)C1 1647299424 GNGUJSSOMKPWSD-JTQLQIEISA-N 311.367 -0.317 30 20 DBED COCC#CCN[C@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)C2)C1 1690235378 MTYBWZVZCPFKMQ-STQMWFEESA-N 314.407 -0.739 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2c(C)ncnc2O)C1 1713929109 MUDZITVOXGJJNG-NSHDSACASA-N 317.349 -0.956 30 20 DBED CCN(CC#CCOC)CCCNC(=O)c1nnc(O)nc1O 1752195609 KIMZPXIRWJAOEK-UHFFFAOYSA-N 323.353 -0.626 30 20 DBED C#CCCN[C@H](CNC(=O)CC[C@@H]1NC(=O)NC1=O)C1CC1 1752493325 CRWJHADZCKUENT-NWDGAFQWSA-N 306.366 -0.518 30 20 DBED N#CCNC(=O)CN[C@@H]1CCC[C@@H](NC(=O)c2cc[nH]n2)C1 1752965119 MAZBZAMRPBAUBM-GHMZBOCLSA-N 304.354 -0.320 30 20 DBED COCCS(=O)(=O)CC(=O)NC[C@@H]1CCCN1CC#N 1753102944 FLNWPAQGVAKYJM-NSHDSACASA-N 303.384 -0.848 30 20 DBED C#CCNC(=O)CN1CC[C@H](CNC(=O)c2nonc2C)C1 1753141329 WZBKDTOPTHFZHW-LLVKDONJSA-N 305.338 -0.821 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCN(C1CC1)[C@H](C)C(=O)NC 1753155725 HNYJAZAVEMCOHW-HIFRSBDPSA-N 320.437 -0.201 30 20 DBED COc1cccc(C(=O)N(C)CCNCC(=O)NCC#N)c1 1753255098 CFCHOQWAXOQJPD-UHFFFAOYSA-N 304.350 -0.003 30 20 DBED C#CCNC(=O)CNC[C@@H](C)NC(=O)c1conc1COC 1754248263 LBSVHZRYPCJZHT-SNVBAGLBSA-N 308.338 -0.722 30 20 DBED C#CCNC[C@H](NC(=O)CCn1cc[nH]c(=O)c1=O)C1CC1 1754453682 AOTIEQLKHWOZBP-LBPRGKRZSA-N 304.350 -0.956 30 20 DBED C=CCNC(=O)CN1CC[C@H]1CNC(=O)[C@H](C)n1cncn1 1754481011 PTKWBSACOLNXEI-RYUDHWBXSA-N 306.370 -0.668 30 20 DBED C#CCNC(=O)CN1CC[C@](C)(NC(=O)CCCCC(N)=O)C1 1754682363 NLFKPLXDYYDJSW-INIZCTEOSA-N 322.409 -0.638 30 20 DBED C=CCOCCN1CC[C@](O)(CNC(=O)Cc2nonc2C)C1 1754759799 KCSPDTSZOXCRPO-HNNXBMFYSA-N 324.381 -0.324 30 20 DBED C[C@H]1C[C@@H](NC(=O)c2ccnnc2)CCN1CC(=O)NCC#N 1755163206 FDHRXDTWPQUUOZ-AAEUAGOBSA-N 316.365 -0.301 30 20 DBED C=CCCN1CCC(CO)(NC(=O)c2cc(=O)n(C)cn2)CC1 1755178152 RLNHQWXSKGGNOD-UHFFFAOYSA-N 320.393 -0.087 30 20 DBED C=C(C)CCC(=O)N[C@H](C)[C@H](C)NCC(=O)N1CCNC(=O)C1 1755237510 QAKUVFCAMJHEDJ-QWHCGFSZSA-N 324.425 -0.216 30 20 DBED C=CCCN(C)[C@H](C)CNC(=O)c1cn(C)c(=O)n(C)c1=O 1755319271 GZPVQTZDQUDCRM-LLVKDONJSA-N 308.382 -0.290 30 20 DBED C=CCN1CC([C@@H](C)NC(=O)CN(C)S(=O)(=O)CC)C1 1755388703 ICXHTBUZNVGRQG-LLVKDONJSA-N 303.428 -0.110 30 20 DBED COCC#CCN1C[C@H](NC(=O)Cn2cncn2)C(C)(C)C1 1755415159 FLGCSASBQJQKIZ-ZDUSSCGKSA-N 305.382 -0.246 30 20 DBED C#CCNC(=O)CNCCC[C@H](C)NC(=O)c1ncn(C)n1 1755497532 RUTOISVAMBKBFU-NSHDSACASA-N 306.370 -0.947 30 20 DBED C#Cc1ccc(C(=O)NC[C@H](CO)NCCn2cccn2)cn1 1755644964 IISRHVUOBXXFKX-OAHLLOKOSA-N 313.361 -0.360 30 20 DBED C=CCOCC(=O)N1CCC[C@H]1CN(C)C(=O)[C@@H]1CCNC1=O 1755909845 FWYGXVFWRNZOLC-QWHCGFSZSA-N 323.393 -0.226 30 20 DBED CC(=O)N(C)CC(=O)N1C[C@@H]2C(CNC(=O)C#CC3CC3)[C@H]2C1 1756198253 PFPAPKLOZNOLTI-HUUCEWRRSA-N 317.389 -0.301 30 20 DBED C=CCCOCC(=O)NC[C@H]1[C@@H]2CN(C(=O)CC(N)=O)C[C@H]12 1756204042 ADJUABMHEPNRIW-CNDDSTCGSA-N 309.366 -0.725 30 20 DBED C[C@H](CN(C)C(=O)c1cn(C)nn1)NC(=O)CSCC#N 1756448192 NSHUPMGMVBRJJT-SECBINFHSA-N 310.383 -0.351 30 20 DBED C=CCOCC(=O)N[C@@H](C)CN(C)C(=O)C1CS(=O)(=O)C1 1756458246 KWEQIOOHDKFGNS-JTQLQIEISA-N 318.395 -0.803 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H](CO)NC(=O)c1ccccc1O 1756520853 FPRBHKJFLDJHRH-RYUDHWBXSA-N 320.345 -0.363 30 20 DBED N#CCSCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccon2)C1 1756981416 DWPGSJNPRBBKGF-NXEZZACHSA-N 310.335 -0.767 30 20 DBED Cc1nn(C)c(C)c1[C@@H](O)CNC[C@@H](O)CN(C)CCC#N 1772046818 MPRLIWMOUBQWSX-KGLIPLIRSA-N 309.414 -0.134 30 20 DBED N#CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cc[nH]n1 1800284747 YSPGGBAFUFXHDA-QHBPRCKVSA-N 317.349 -0.545 30 20 DBED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)CN)C2)C1 1840167271 HMFOIBZDJCPGGC-MRXNPFEDSA-N 323.393 -0.795 30 20 DBED CC(C)=NO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)C(O)O)C1 1841236065 VABXWDDPRXJBAE-JTQLQIEISA-N 313.354 -0.699 30 20 DBED CS(=O)(=O)CCC(=O)N1CCCC12CN(C(=O)CC#N)C2 1846700069 NKOOXJQPCYOPNQ-UHFFFAOYSA-N 313.379 -0.462 30 20 DBED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)COC 1847263261 PGYCDXYDZOKNGB-AIMRDXAKSA-N 321.377 -0.307 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC2(C#N)CCCC2)C1=O 7090414 SVRKRHUTGFKEAX-UHFFFAOYSA-N 304.306 -0.084 30 20 DBED CN(C)C(=O)CNC(=O)N1CCN(c2ccc(C#N)cn2)CC1 52500910 TVCYYBXCDUCORH-UHFFFAOYSA-N 316.365 -0.127 30 20 DBED CC(C)[C@H](C#N)OC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 80391358 UQKFDVBVVCXXFV-VIFPVBQESA-N 319.321 -0.475 30 20 DBED CN1CCN(S(=O)(=O)Cc2cccc(C#N)c2)[C@H](CN)C1 124363039 STHLMMQRFFWSGH-CQSZACIVSA-N 308.407 -0.037 30 20 DBED COC(=O)C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)O 216273429 UYZOYPFXWUDIGD-SNVBAGLBSA-N 312.303 -0.147 30 20 DBED C#CCSCCNS(=O)(=O)c1cnn(CC(=O)O)c1 231938176 QZKPMJPKDRNEJR-UHFFFAOYSA-N 303.365 -0.388 30 20 DBED C/N=C(/NCc1ccc(C(N)=O)o1)N1CCN(C(C)=O)CC1 262372082 IVTIQZRBAYHCFK-UHFFFAOYSA-N 307.354 -0.382 30 20 DBED Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N(C)CC#N 266083273 HGQCBDHGTKUFQF-VIFPVBQESA-N 313.383 -0.314 30 20 DBED COC[C@@H](CCO)NC(=O)C(=O)N1CCc2ccc(C#N)cc21 270194966 OFMOBWRSFYJRII-CYBMUJFWSA-N 317.345 -0.039 30 20 DBED CCC[C@@H]1C(=O)NCCN1c1c(C#N)c(=O)n(C)c(=O)n1C 270785664 KRULDTBQANMCFM-SNVBAGLBSA-N 305.338 -0.939 30 20 DBED CCO[C@@H]1C[C@@H](Nc2c(C#N)c(=O)n(C)c(=O)n2C)[C@@H]1OC 275000630 NQFIIMSTZAHPNT-MXWKQRLJSA-N 308.338 -0.440 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N1CC[C@H](S(C)(=O)=O)C1 282411491 YFRHSKIOINJZOE-ZJUUUORDSA-N 303.384 -0.494 30 20 DBED C=CCN1CCC(NC(=O)C(=O)N2CC[C@H](C)[C@H]2CO)CC1 286692400 PLRLFKMVUBFIIJ-GXTWGEPZSA-N 309.410 -0.018 30 20 DBED C=CCCN(C)C(=O)C(=O)N1CCN(CC(=O)NC2CC2)CC1 297431980 CBSKOCSDDYYNNJ-UHFFFAOYSA-N 322.409 -0.556 30 20 DBED CS(=O)(=O)NC[C@H]1CCCCN1/C(O)=N/[C@@H]1[C@H]2COC[C@H]21 329994828 MNTNNOKPOZMXTA-WYUUTHIRSA-N 317.411 -0.051 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCN(CCCO)CC1 330368910 AVHFUEOLZQHUJB-CYBMUJFWSA-N 318.443 -0.287 30 20 DBED CCC(=O)N1CC[C@H](N/C(O)=N/[C@@H](C)C(=O)NCCF)C1 330374879 NIOADJIXDOYGOL-UWVGGRQHSA-N 302.350 -0.025 30 20 DBED CS(=O)(=O)c1ccc(C/N=C(/O)N2CCNC(=O)C2)cc1 330470612 WGIWUMQXCDXSNQ-UHFFFAOYSA-N 311.363 -0.064 30 20 DBED C[C@@H](C(=O)N(C)CC(=O)N1CCO[C@H](C#N)C1)n1cccn1 330656633 OYPJMDOMVCUYGK-NWDGAFQWSA-N 305.338 -0.347 30 20 DBED CCCN(CC(=O)OC)S(=O)(=O)N1CCO[C@H](C#N)C1 336911294 IIIMKKVSLLKKBP-SNVBAGLBSA-N 305.356 -0.659 30 20 DBED C=CCOC[C@@H](NS(=O)(=O)c1c(N)noc1C)C(=O)OC 349623399 ISKBEKFXTVPNQG-MRVPVSSYSA-N 319.339 -0.412 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@@H](C)N(C)C[C@H]2C)C1=O 352003801 MUYHRTBBROVGTN-GHMZBOCLSA-N 322.365 -0.486 30 20 DBED C=CCCCCNC(=O)C(=O)Nc1cc(C)n(CC(=O)NC)n1 352157762 YWABMPLSGYRZMM-UHFFFAOYSA-N 321.381 0.349 30 20 DBED COCCC(=O)N1CCN(CC(=O)N[C@](C)(C#N)C2CC2)CC1 355755583 ANAYUJRMGOTQNO-MRXNPFEDSA-N 322.409 -0.024 30 20 DBED Cn1ncc(C(=O)NCC(C)(C)N2CCS(=O)CC2)c1C#N 356005855 GUWHHHOHVPSHPA-UHFFFAOYSA-N 323.422 -0.136 30 20 DBED CC[C@H](C)[C@H](NC(=O)CC#N)C(=O)NCCN1CCOCC1 356088046 DIWRFGVBZWQNIB-JSGCOSHPSA-N 310.398 -0.121 30 20 DBED CN(C(=O)C(=O)Nc1ccc(F)cc1C#N)[C@H]1COC[C@@H]1O 356928201 VSTYTHYZYAXSTA-RYUDHWBXSA-N 307.281 -0.146 30 20 DBED N#C[C@H]1CN(C(=O)CCNS(=O)(=O)c2cccnc2)CCO1 357955733 REHHKPZJAKMLRI-NSHDSACASA-N 324.362 -0.499 30 20 DBED C=C[C@@H](CO)NC(=O)c1cc(S(=O)(=O)NC(C)C)c[nH]1 426847752 IEWUELTXXNHITD-VIFPVBQESA-N 301.368 -0.022 30 20 DBED Cn1c(NC[C@H]2CCCN2CCCO)c(C#N)c(=O)n(C)c1=O 450592286 HDNWBIRFKSJULF-LLVKDONJSA-N 321.381 -0.786 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@](C)(OC)C2CC2)CC1 491624377 GXFMHMWKVXTEQH-MRXNPFEDSA-N 307.394 -0.305 30 20 DBED CN(CCC#N)C[C@@H](O)CNC[C@H]1CCCCS1(=O)=O 564874170 ZJMFZQJQSJIUSQ-QWHCGFSZSA-N 303.428 -0.250 30 20 DBED C[C@@]1(c2cccc(C(=O)NCC#CCO)c2)NC(=O)NC1=O 581736031 JHTOSPHHZCLJLL-HNNXBMFYSA-N 301.302 -0.533 30 20 DBED COC(=O)[C@H]1C[C@H](O)CN(CC(=O)N(CCC#N)CCC#N)C1 592198190 HKAJNAMAWAPQJE-STQMWFEESA-N 322.365 -0.502 30 20 DBED COC(=O)[C@](C)(CO)NC[C@@H](O)COc1ccccc1C#N 599438846 YXYOHGFYFZXQRE-DOMZBBRYSA-N 308.334 -0.188 30 20 DBED C[C@@H](NS(=O)(=O)c1cccnc1C#N)[C@H]1CN(C)CCO1 617474976 GQMCDGCXNNOSBE-ZYHUDNBSSA-N 310.379 -0.049 30 20 DBED CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)N1CCN(CC#N)CC1 619582446 XTEKRWUBBWZNNI-LBPRGKRZSA-N 323.397 -0.940 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(CCc2cnoc2)c1=O 629106297 WTUGGZCJZDIWLG-UHFFFAOYSA-N 304.306 -0.226 30 20 DBED CC#CC[C@H](CO)NC(=O)Nc1cc(C)n(CC(=O)NC)n1 646329281 IMMAIOXUQWMPKT-LLVKDONJSA-N 307.354 -0.167 30 20 DBED C=C[C@H](CO)NC(=O)NCc1cccc(CS(N)(=O)=O)c1 664821198 SJSBVOQOLNMWFI-GFCCVEGCSA-N 313.379 -0.179 30 20 DBED C=CCN(C(=O)NCCNS(=O)(=O)N(C)C)[C@H](C)COC 665004643 BYSLYFBWTCYQQQ-LLVKDONJSA-N 322.431 -0.385 30 20 DBED C[S@](=O)CCN1CCN(S(=O)(=O)CCCC#N)CC1 754423180 BSGIGNXFKGCCQU-SFHVURJKSA-N 307.441 -0.384 30 20 DBED N#Cc1cccnc1NCCNC(=O)NC[C@@]1(O)CCOC1 755066892 XDALJDUXRJOWLG-AWEZNQCLSA-N 305.338 -0.184 30 20 DBED COCC#CCOC(=O)C1=NC=CN2CCS(=O)(=O)N=C12 762758578 MTSQMFUBKZICID-UHFFFAOYSA-N 311.319 -0.851 30 20 DBED C=CCNC(=O)CNC(=O)NC[C@@H]1COC2(CCOCC2)O1 776943540 ITEMTSKVZAHPQA-LLVKDONJSA-N 313.354 -0.490 30 20 DBED COC[C@@](C)(O)C(=O)OCc1cc(O)n2ncc(C#N)c2n1 783877889 NKJNUXYEACRHMO-CYBMUJFWSA-N 306.278 -0.253 30 20 DBED C[C@@H](C#N)COC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C 789451909 ALHPDBHYCYYJBW-QMMMGPOBSA-N 304.306 -0.108 30 20 DBED Cc1cccc(=O)n1C[C@@](C)(O)C(=O)OCC(=O)NCCC#N 795768487 FPLUKCFIOFKOOX-OAHLLOKOSA-N 321.333 -0.519 30 20 DBED C=CCNC(=O)[C@H](C)OC(=O)[C@H]1CCCN1S(C)(=O)=O 798894601 KAUXKDAERDKKRW-VHSXEESVSA-N 304.368 -0.356 30 20 DBED CC1(C)OCC(NS(=O)(=O)N2CCO[C@@H](C#N)C2)CO1 800108436 BNFLFKAJTLGISO-JTQLQIEISA-N 305.356 -0.803 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CC(=O)N(C)C[C@H]1C 800123196 RYSTYFZPNAONDL-WDEREUQCSA-N 302.400 -0.125 30 20 DBED Cc1nnc(NN=Cc2ccc(S(N)(=O)=O)cc2)nc1O 811632149 BYUGEHVEUMEHSF-UHFFFAOYSA-N 308.323 -0.021 30 20 DBED C[C@@H](OC(=O)CCn1ncn(C)c1=O)C(=O)NC1(C#N)CCC1 815270707 NRIIRSVIOLZWAF-SNVBAGLBSA-N 321.337 -0.534 30 20 DBED C#CC[C@H](CO)NC(=O)c1cn(CC(OCC)OCC)nn1 816673921 MEHRSUZWZKVBEC-LLVKDONJSA-N 310.354 -0.209 30 20 DBED CNCCCN(C)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 818014166 CGBNINVHLWPKPG-UHFFFAOYSA-N 324.406 -0.207 30 20 DBED O=C(N[C@H]1CCN(O)C1=O)c1ccc(CN2CCOCC2)o1 820120466 OPRCWLSSTCUDJN-NSHDSACASA-N 309.322 -0.168 30 20 DBED C[C@H](N)C[C@H](C)NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 843503584 LKPOIKXESWFSAT-UWVGGRQHSA-N 324.406 -0.033 30 20 DBED C#CCOCCN1CCN(CCOCC#C)[C@@H](C(=O)N(C)C)C1 851852217 AKJGKBMLPVGHRS-MRXNPFEDSA-N 321.421 -0.640 30 20 DBED C#CC1CCN(C(=O)NCCOCCS(N)(=O)=O)CC1 854141557 FSVPOJPMTJSAOB-UHFFFAOYSA-N 303.384 -0.654 30 20 DBED C=CCS(=O)(=O)NC(=O)[C@@H]1CNC(=O)C[C@H]1C(F)(F)F 873514580 ZAEQDKVJGJFKSH-RNFRBKRXSA-N 314.285 -0.067 30 20 DBED C=CCN(C(=O)[C@H]1OCCN(C)C1=O)[C@H]1CCS(=O)(=O)C1 900310975 VYNPAISVKZYAEU-QWRGUYRKSA-N 316.379 -0.955 30 20 DBED C#CCNC(=O)CN1CCN([C@H](C(=O)OC)[C@H](C)CC)CC1 929510665 IVTPEXRKVNNJEY-HIFRSBDPSA-N 309.410 -0.059 30 20 DBED Cc1nn(C)cc1C1=NO[C@H](C(=O)N2CCOC[C@@H]2C#N)C1 933560301 SBEQBYZUCWBZNG-GWCFXTLKSA-N 303.322 -0.028 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H]1CNC(=O)c1cn(C)c(=O)cn1 944249831 RYUPHHDQEOMPSQ-GHMZBOCLSA-N 317.349 -0.339 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(CCN(C(=O)CC(N)=O)CC2)C1 944368013 JIRPQZSKHJDPQT-NSHDSACASA-N 306.366 -0.137 30 20 DBED Cc1c[nH]nc1C(=O)NC[C@@H]1CN(C(=O)[C@H](C)C#N)CCO1 944585020 BHNBCWPKCLXYBS-MWLCHTKSSA-N 305.338 -0.165 30 20 DBED C[C@@H]1C[C@@H](NC(=O)c2cnc(O)n(C)c2=O)CCN1CC#N 947602678 MZRVSYTZLCYGCR-ZJUUUORDSA-N 305.338 -0.408 30 20 DBED Cn1cnc(C(=O)N2CC[C@H]2CNC(=O)c2ccc(C#N)[nH]2)n1 949452810 QXKQVLOAVLGEPP-JTQLQIEISA-N 313.321 -0.341 30 20 DBED C=CCN1CCN(C(=O)c2nc(C)n(-c3nc[nH]n3)n2)CC1 949564073 CGJNLHOMHSGWGS-UHFFFAOYSA-N 302.342 -0.362 30 20 DBED C=CCN1CC[C@H](N2C[C@@H]3C(NC(=O)c4cc[nH]n4)[C@H]3C2)C1=O 958298118 PKTVJWAHXWPRHE-GVXVVHGQSA-N 315.377 -0.143 30 20 DBED N#CCN1C[C@@H](O)[C@@H](CNC(=O)c2ccnc(C3CC3)n2)C1 958449390 UTOYLCMWLFMRMC-WCQYABFASA-N 301.350 -0.100 30 20 DBED C=CCCN1C[C@@H](O)[C@H](CNC(=O)c2cncc(C(N)=O)c2)C1 958693112 DXEKXVFMXSBSII-ZIAGYGMSSA-N 318.377 -0.221 30 20 DBED C#Cc1ccc(C(=O)N[C@@H](C)[C@@H]2CCN(C(=O)C(N)=O)C2)nc1 959269038 RZDIMWBFMPKNNR-CMPLNLGQSA-N 314.345 -0.485 30 20 DBED CC(C)C(=O)N1CC(S(=O)(=O)N2CCN(CC#N)CC2)C1 961077839 XAHJKJVQBOUSGZ-UHFFFAOYSA-N 314.411 -0.676 30 20 DBED N#CCN1C[C@H]2[C@H](NC(=O)c3cncc(-n4ccnn4)c3)[C@H]2C1 961382375 RVSDJDZRHOUIKA-WDNDVIMCSA-N 309.333 -0.154 30 20 DBED N#CCN1C[C@@H]2C(NC(=O)c3ccc4c(c3)C(=O)NC4=O)[C@H]2C1 962340780 IHRKWSCIUQZQGC-RYUDHWBXSA-N 310.313 -0.246 30 20 DBED C[C@@H]1CCN(CC#N)C[C@H]1NC(=O)Cn1ccc(O)nc1=O 967273260 KMWRWQOSIYEHIW-GHMZBOCLSA-N 305.338 -0.701 30 20 DBED CC#CCN1CC[C@@H](C)[C@@H](NC(=O)CN2CCC(=O)NC2=O)C1 968518095 XSGCHJUWZFKJAU-OLZOCXBDSA-N 320.393 -0.222 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)COC)C[C@@H]2O)cn1 969348043 BQGKALYLXKFDEL-OLZOCXBDSA-N 303.318 -0.989 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCN(C)C3)C[C@@H]2O)C1 970398954 PDEZBXLITJFJAF-MCIONIFRSA-N 321.421 -0.018 30 20 DBED C#CCN1C[C@H]2[C@H](CNC(=O)[C@H]3CC(=O)N(CCOC)C3)[C@H]2C1 978246857 NXZBFXFMFZWEMQ-ZQDZILKHSA-N 319.405 -0.592 30 20 DBED CC#CCN1C[C@H]2C(CNC(=O)[C@H]3CC[C@@H](C(N)=O)O3)[C@@H]2C1 978701928 DDAIUXVLLBQRKU-XDQVBPFNSA-N 305.378 -0.663 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCC1[C@@H]2CN(CC(=O)N(C)C)C[C@@H]12 978716306 JPPCTFYHXBAPPM-UNQGMJICSA-N 321.421 -0.040 30 20 DBED C#CCOc1ncccc1C(=O)NC[C@H]1[C@@H]2CN(CCO)C[C@H]12 978979876 YOZIHOHSYSRWNW-QKDCVEJESA-N 315.373 -0.007 30 20 DBED C#CCN1CCCN(C(=O)Cn2ncn3nccc3c2=O)CC1 982070462 PWWQDLIIPKRMBP-UHFFFAOYSA-N 314.349 -0.942 30 20 DBED C=CCN1CCCN(C(=O)c2cn(CC(=O)N(C)C)nn2)CC1 989738388 AFXSNRNEKKXJJG-UHFFFAOYSA-N 320.397 -0.300 30 20 DBED C#CCN1CC[C@@]2(NC(=O)CN3CCC(=O)NC3=O)CCC[C@@H]12 992429522 OEQMJSVGIWMDEQ-WBMJQRKESA-N 318.377 -0.325 30 20 DBED NC(=O)c1c[nH]c(C(=O)NC2CN(C(=O)C#CC3CC3)C2)c1 998444271 IEOVIGDQHBNLSY-UHFFFAOYSA-N 300.318 -0.532 30 20 DBED CC#CCN1CCC(NC(=O)c2cc(=O)n3[nH]cnc3n2)CC1 1003964422 IZKDCQQCHASHBC-UHFFFAOYSA-N 314.349 -0.365 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCCN([C@H](CC)C(N)=O)C2)nn1 1008799481 MFIXFEQFRQIWNY-WCQYABFASA-N 320.397 -0.078 30 20 DBED C[C@H](C#N)C(=O)N1CCC2(CN(C(=O)[C@@H]3COCCO3)C2)C1 1018810836 JOKZOWNQFKPPIQ-NEPJUHHUSA-N 307.350 -0.378 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCN2C)C1 1023207775 GFYVZOFBQAJGKP-JHJVBQTASA-N 309.410 -0.019 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CN(C(=O)c3cnco3)C[C@H]2O)c1 1023331323 KGPUMUXQSLUCGE-GHMZBOCLSA-N 315.289 -0.510 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCC(=O)N3)C[C@H]2O)C1 1025524894 UMXRKQDVGZQSAH-IJLUTSLNSA-N 321.377 -0.691 30 20 DBED C#CCN[C@@H]1CC[C@@H]2CN(C(=O)Cn3ncn(C)c3=O)C[C@@H]21 1026298694 SNKYVBSOJDESTC-FRRDWIJNSA-N 303.366 -0.958 30 20 DBED C#CCCN1CCC[C@H]1CNC(=O)[C@H]1COCCN1C(C)=O 1028325298 CPBSKHUOMXDMBM-LSDHHAIUSA-N 307.394 -0.162 30 20 DBED C#CCN1CCCC[C@H](NC(=O)Cn2nc(C)n(C)c2=O)C1 1034509799 PDSZKWYFJOSJIB-ZDUSSCGKSA-N 305.382 -0.506 30 20 DBED CC#CCN1CCO[C@H](CNC(=O)c2cnc3[nH]nnc3c2)C1 1035399316 UOMGEEXEXRRDEZ-GFCCVEGCSA-N 314.349 -0.193 30 20 DBED N#CCN1CCO[C@H](CNC(=O)c2cn3cccnc3n2)C1 1035434425 YKBCRZZLHSMQEZ-LLVKDONJSA-N 300.322 -0.317 30 20 DBED C#CCN1CC[C@H]2CN(C(=O)C3CC(=O)NC(=O)C3)CC[C@@H]21 1036841891 GYRAUZYJDJRTBM-AAEUAGOBSA-N 303.362 -0.405 30 20 DBED N#CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1ccccc1OCC(N)=O 1037503513 SHNIDLSJLLOETL-IFUGULHKSA-N 314.345 -0.123 30 20 DBED C#CCCCC(=O)NC[C@@]1(O)CCN(C(=O)CC(=O)N(C)C)C1 1039575526 AHQZNNZBRXATCP-INIZCTEOSA-N 323.393 -0.652 30 20 DBED C=CCCCC(=O)N1CC[C@](O)(CNC(=O)[C@H]2CCNC2=O)C1 1040486708 VYPLXKXTIBWOBL-LRDDRELGSA-N 323.393 -0.442 30 20 DBED C=CCOCC(=O)N1CC[C@](O)(CNC(=O)c2nocc2C)C1 1040908095 YQZBEZJXSLHRBX-HNNXBMFYSA-N 323.349 -0.121 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@]1(O)CCN(C(=O)COC)C1 1040950468 PKCUHPRHWMFXHJ-TYNCELHUSA-N 312.366 -0.697 30 20 DBED Cn1ncc(C(=O)N[C@@H]2CN(c3ccncc3C#N)C[C@H]2O)n1 1041095364 UHLZHJJVWYRFIK-DGCLKSJQSA-N 313.321 -0.939 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)c2ccoc2)C1 1041460855 VJFIDLOBEYRRMB-UHFFFAOYSA-N 306.318 -0.377 30 20 DBED C=CCCOCC(=O)N1CC(O)(CNC(=O)c2cccn2C)C1 1041509929 ZQGBJOILZOOCGX-UHFFFAOYSA-N 321.377 -0.079 30 20 DBED N#Cc1nccnc1N[C@@H]1C[C@H]2CC[C@H]1N(C(=O)C(N)=O)C2 1041678436 GXCOZUIKTLBILE-FXPVBKGRSA-N 300.322 -0.375 30 20 DBED C#CCN1CC[C@@H]2CCN(C(=O)CC3CS(=O)(=O)C3)C[C@H]21 1042122604 ONPSTEBXMWLKGS-ZIAGYGMSSA-N 310.419 -0.023 30 20 DBED Cn1cc(C(=O)N2CC[C@@H]3CCN(CC#N)[C@@H]3C2)ncc1=O 1042160053 KLEJIZGYKKZWHK-WCQYABFASA-N 301.350 -0.160 30 20 DBED CC#CCCCC(=O)N1CC(O)(CNC(=O)Cc2cc[nH]n2)C1 1042272710 HOAUKBIKUXORPY-UHFFFAOYSA-N 318.377 -0.165 30 20 DBED C[C@@H]1C[C@H]1C(=O)N1CC(O)(CNC(=O)c2cc(C#N)c[nH]2)C1 1042400943 IFHQJUOSWSEBDT-MWLCHTKSSA-N 302.334 -0.155 30 20 DBED N#Cc1cc(C(=O)NCC2(O)CN(C(=O)C3CCC3)C2)c[nH]1 1042669630 SQYTZLDMVIKZFN-UHFFFAOYSA-N 302.334 -0.010 30 20 DBED Cn1ccc(C(=O)N2CC(O)(CNC(=O)C#CC3CC3)C2)c1 1042958899 OSVKALNPVWQDBT-UHFFFAOYSA-N 301.346 -0.258 30 20 DBED COCC(=O)N1CCO[C@@H]2CN(c3ccc(C#N)nn3)C[C@@H]21 1043645981 JEVUXTHJSGSUIX-NWDGAFQWSA-N 303.322 -0.589 30 20 DBED C#CCN[C@H]1CCN(C(=O)CN2CCN(C)C(=O)C2)[C@H](C)C1 1044655994 FLNRAMOYYHSNFR-KGLIPLIRSA-N 306.410 -0.637 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)c2nccs2)C1 1045243468 IWIFXYUQYWHYRJ-SNVBAGLBSA-N 323.374 -0.516 30 20 DBED Cc1ncc(C(=O)N2CC(O)(CNC(=O)[C@H](C)C#N)C2)s1 1045539913 AVQISHKAWZRXDW-MRVPVSSYSA-N 308.363 -0.086 30 20 DBED Cc1cccc(C(=O)N2CC(O)(CNC(=O)[C@H](C)C#N)C2)n1 1045541403 WBDAVWJQHZOPSC-SNVBAGLBSA-N 302.334 -0.147 30 20 DBED COc1ncccc1C(=O)N1CC(O)(CNC(=O)[C@@H](C)C#N)C1 1045551012 DAIJWSCISKMJPN-JTQLQIEISA-N 318.333 -0.447 30 20 DBED Cc1cnoc1C(=O)NCC1(O)CN(C(=O)CSCC#N)C1 1045676297 RQYRJBZDDYAORU-UHFFFAOYSA-N 324.362 -0.457 30 20 DBED C[C@@H]1CN(C)C[C@H]1C(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1046684937 NFVZXASXMKUEJO-TZMCWYRMSA-N 319.405 -0.713 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cnn3cccnc23)C1 1047481733 GMVMQABDSOVUHX-KBPBESRZSA-N 313.361 -0.130 30 20 DBED C=CCOCC(=O)N(C)[C@H]1CN(C(=O)c2oncc2C)C[C@@H]1O 1048557637 GLDPDCCUXGJMBP-RYUDHWBXSA-N 323.349 -0.171 30 20 DBED CC(C)C#CC(=O)N(C)[C@H]1CN(C(=O)Cc2cnc[nH]2)C[C@@H]1O 1048814248 ZNBXPFKYIOFKBA-KBPBESRZSA-N 318.377 -0.358 30 20 DBED C=CC(C)(C)C(=O)N(C)[C@H]1CN(C(=O)[C@H]2CCC(=O)N2)C[C@@H]1O 1049167734 FMVJDNSCALFEDC-WOPDTQHZSA-N 323.393 -0.493 30 20 DBED CC#CCN1CCOC[C@H]1CNC(=O)[C@H]1CCS(=O)(=O)C1 1051011652 MFYQGFCYPKZTCS-QWHCGFSZSA-N 314.407 -0.739 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2COCCN2CCCO)nn1 1051156630 VQVTWZPREYPQST-LBPRGKRZSA-N 309.370 -0.723 30 20 DBED C#CCN1CCN([C@@H]2CCN(C(=O)[C@@H]3CCNC(=O)C3)C2)CC1 1052011016 KKFRNVQTEVYGHI-HUUCEWRRSA-N 318.421 -0.636 30 20 DBED C=CCN1CCN([C@H]2CCN(C(=O)Cn3nccn3)C2)CC1 1052033632 ROIOHUMKMQOSRM-AWEZNQCLSA-N 304.398 -0.317 30 20 DBED C#CCN1CCN([C@@H]2CCN(C(=O)c3nonc3C)C2)CC1 1052123770 PCHRQLWCCQWEIX-CYBMUJFWSA-N 303.366 -0.157 30 20 DBED C=CCN1CCC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)CC1 1052393148 FCMNPFZOAVLURV-LLVKDONJSA-N 306.370 -0.466 30 20 DBED CN1C(=O)CC[C@@H]1CC(=O)N[C@H]1COC2(C1)CN(CC#N)C2 1053889355 IBUOTICWHXLPQW-VXGBXAGGSA-N 306.366 -0.520 30 20 DBED CCNC(=O)CC(=O)N[C@@]1(CO)CCCN(C(=O)[C@@H](C)C#N)C1 1055896649 LCCIOGOANUJQTL-NHYWBVRUSA-N 324.381 -0.858 30 20 DBED N#Cc1cncc(N2C[C@H]3C(NC(=O)[C@@H]4COC(=O)N4)[C@@H]3C2)n1 1056195482 URADZPMIDDVUDR-BBBLOLIVSA-N 314.305 -0.993 30 20 DBED CO[C@@H](C)CC(=O)N(CCO)CCNC(=O)CSCC#N 1057161172 MHXZQZPYDVGSLT-NSHDSACASA-N 317.411 -0.395 30 20 DBED Cc1nn(C)cc1C(=O)N(CCO)CCNC(=O)[C@H](C)C#N 1057224874 MPYIYKJUTQFIQP-SNVBAGLBSA-N 307.354 -0.561 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)c1ncccc1O 1057410176 GJUYNKZINCIRQU-JTQLQIEISA-N 306.322 -0.502 30 20 DBED CN1C(=O)CC[C@H]1C(=O)N[C@@H]1CCN(c2cncc(C#N)n2)C1 1058516864 VMSRLEJVNKDBOJ-PWSUYJOCSA-N 314.349 -0.336 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)c1cccc(=O)n1C 1058778660 JJCCDVFGTRHJRC-LLVKDONJSA-N 320.349 -0.904 30 20 DBED N#Cc1nc(=N[C@H]2CCN(C(=O)[C@@H]3CCCNC3=O)C2)cc[nH]1 1058985830 UEWRGBKDRUUBNW-WDEREUQCSA-N 314.349 -0.691 30 20 DBED Cn1nnc(C(=O)N2CC[C@H](CN=c3cc[nH]cc3C#N)C2)n1 1060964116 OMSFKPGZEAXEOT-SNVBAGLBSA-N 312.337 -0.527 30 20 DBED C=CCCCC(=O)NC[C@H]1COCCN1C(=O)c1nnn(C)n1 1061829299 NQEQLPWMXVQXDP-NSHDSACASA-N 322.369 -0.476 30 20 DBED CN1C[C@@H](C(=O)NCC2(NC(=O)C#CC3CC3)CCC2)NC1=O 1063916269 ZIONFKKSOSKQPL-LBPRGKRZSA-N 318.377 -0.422 30 20 DBED C[C@@H]1CCCN(C(=O)CC(N)=O)[C@H]1CN=c1cc[nH]c(C#N)n1 1063932502 PZLSXOCXAGXLBT-MNOVXSKESA-N 316.365 -0.315 30 20 DBED C=CCCC(=O)N1CCO[C@H](CNC(=O)C2CN(C(C)=O)C2)C1 1064955880 MZYZPCVLVRGOIG-CQSZACIVSA-N 323.393 -0.226 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2cocn2)CCO1 1064972200 RJDWGWMTYVNTOO-NSHDSACASA-N 309.322 -0.166 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CN(C(=O)Cn2ccnc2)CCO1 1065305228 KSIHDCZRNMNAOF-RYUDHWBXSA-N 305.338 -0.614 30 20 DBED C=C(C)CCC(=O)NC[C@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)CCO1 1065624531 DEYKYMOCQNCAQK-XQQFMLRXSA-N 323.393 -0.192 30 20 DBED C[C@H](NC(N)=O)C(=O)N1CCC[C@@H](NC(=O)C#CC2CC2)CC1 1066152580 HZNOAFVOWPTPOU-WCQYABFASA-N 320.393 -0.046 30 20 DBED C=C(C)CCC(=O)N[C@@H]1COC2(C1)CN(C(=O)CC(N)=O)C2 1068890428 USSQEWZEWYZHMO-NSHDSACASA-N 309.366 -0.296 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCCN(C(=O)C(F)F)C1 1070341948 GICWMQJYNXDARC-SECBINFHSA-N 301.293 -0.502 30 20 DBED C#CCN1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CNC(=O)N2)C1 1070422760 HZIRAISCETXRKD-CMPLNLGQSA-N 316.365 -0.870 30 20 DBED N#CCN1CCNC(=O)CCN(C(=O)C2=COCCO2)CC1 1070936919 ZSXSPWPTHVVFJF-UHFFFAOYSA-N 308.338 -0.951 30 20 DBED N#CCN1CCNC(=O)CCN(C(=O)C[C@@H]2CCCO2)CC1 1070942240 VNBRFIAPEICPHD-ZDUSSCGKSA-N 308.382 -0.270 30 20 DBED C=C(C)CCN1CCNC(=O)CCN(C(=O)CC(N)=O)CC1 1070948493 OCBXJHASCRGLRO-UHFFFAOYSA-N 310.398 -0.522 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)C[C@](C)(O)C2CC2)CC1 1070956521 QWGZXDDJQZFTAT-KRWDZBQOSA-N 321.421 -0.179 30 20 DBED C=C(C)CN1CCNC(=O)CCN(C(=O)[C@@H]2CCNC2=O)CC1 1070985851 WLUITTMHEWGFOB-CYBMUJFWSA-N 322.409 -0.651 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CCCN(C(=O)c2ccc(=O)n(C)n2)C1 1071370156 HSOWDLFEWQYSTN-WDEREUQCSA-N 317.349 -0.339 30 20 DBED C=CCOCC(=O)N1C[C@@H](NC(=O)CC(=O)N(C)C)[C@H](C)C1 1071812414 RXSQLNCDOQDSDW-VXGBXAGGSA-N 311.382 -0.370 30 20 DBED C[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1NC(=O)CC(N)=O 1071917709 FMGWAGXJCJNLMH-KWQFWETISA-N 303.322 -0.662 30 20 DBED C#CCN1CCC(C(=O)N2C[C@@H](NC(=O)COC)[C@H](C)C2)CC1 1072275663 LQOTYRVPWBXYLG-UKRRQHHQSA-N 321.421 -0.059 30 20 DBED C=CCCC(=O)N[C@H]1CN(C(=O)c2nnc(O)nc2O)C[C@@H]1C 1072453924 QMGVOMOMJBFUDB-IUCAKERBSA-N 321.337 -0.174 30 20 DBED C=CCO[C@H](C)C(=O)N[C@H]1CCN(C(=O)C(N)=O)CC1(C)C 1073419098 NEAOSAXTNUIQFW-MNOVXSKESA-N 311.382 -0.194 30 20 DBED COc1cc(C(=O)N2CC[C@H]3OCCN(CC#N)[C@H]3C2)nn1C 1074294806 SYPGUTKADACRPF-QWHCGFSZSA-N 319.365 -0.132 30 20 DBED C=CCn1cc(C(=O)N2CC[C@@H]3OCCN(CCO)[C@H]3C2)nn1 1074354631 SZKMGIVIDFWKRM-KBPBESRZSA-N 321.381 -0.628 30 20 DBED C#CCCN1C[C@@H]2CCN(C(=O)CN3CC(=O)N(C)C3=O)[C@@H]2C1 1076455327 SSIYORPXCMSFKD-QWHCGFSZSA-N 318.377 -0.564 30 20 DBED C[C@@H](CCNC(=O)[C@@H](C)C#N)NC(=O)c1cc(C(N)=O)cn1C 1078130528 FUYAKWGTEIUJOQ-UWVGGRQHSA-N 319.365 -0.092 30 20 DBED C#CCN[C@@H]1C[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)C12CCC2 1078782648 CYUBSGBLYINFSP-VXGBXAGGSA-N 318.377 -0.469 30 20 DBED C=CCOCC(=O)N(CC)C1CN(C(=O)[C@H]2CCCC(=O)N2)C1 1079492749 LCSBKRBNUDSOAI-CYBMUJFWSA-N 323.393 -0.083 30 20 DBED CCN(C(=O)c1ccc(C#N)[nH]1)C1CN(C(=O)CNC(N)=O)C1 1079616591 QWMRXTHBINBRIP-UHFFFAOYSA-N 318.337 -0.772 30 20 DBED C=CCOCC(=O)N1CC(N(CC)C(=O)c2cn(C)nn2)C1 1079714236 CTIKMVBGIKTTNT-UHFFFAOYSA-N 307.354 -0.309 30 20 DBED CC(C)C#CC(=O)N1C[C@H](CNC(=O)c2cnsn2)[C@@H](O)C1 1081300960 XYXLXRBBBZMDLA-JQWIXIFHSA-N 322.390 -0.253 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)c2cnsn2)C[C@H]1O 1081441457 INPWKCPXTTWTDW-ZYHUDNBSSA-N 322.390 -0.109 30 20 DBED C#CCCCC(=O)N1C[C@H](CNC(=O)CC(C)(C)O)[C@@H](O)C1 1081450592 VXYCKYKYMPCNON-STQMWFEESA-N 310.394 -0.114 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2cnn[nH]2)C1 1081589791 IPFSFZGWVNWCTB-ZYHUDNBSSA-N 305.338 -0.987 30 20 DBED C=CC(C)(C)C(=O)NC[C@H]1CN(C(=O)c2cnon2)C[C@H]1O 1081643686 YCFLSUNPFVBBMB-GXSJLCMTSA-N 308.338 -0.169 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@H](CNC(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1081672064 SXSGUIBKHONBGC-BIGJJFBESA-N 324.377 -0.983 30 20 DBED C#CCN1C[C@@H](NC(=O)c2nnn(C(C)(C)C)n2)[C@H](OC)C1 1081707293 GMJCVUAAIWKEIB-GHMZBOCLSA-N 306.370 -0.510 30 20 DBED C=C(Cl)CN1C[C@@H](NC(=O)c2nnn(C)n2)[C@H](OC)C1 1082035013 PJGBMOFDPBFVMQ-RKDXNWHRSA-N 300.750 -0.608 30 20 DBED C=CCCn1cc(C(=O)N[C@@H]2CN(CCO)C[C@H]2OC)nn1 1082219047 RDMIVRYFJGTHHK-DGCLKSJQSA-N 309.370 -0.725 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CN1CCCCC1=O 1083129427 KCSYCNMDNRFNQC-LSDHHAIUSA-N 319.405 -0.066 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2ncn(-c3ccccc3)n2)C1 1083553352 YPROWAFPTWRMOO-KGLIPLIRSA-N 311.345 -0.325 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCc3nnn(C)c3C2)C1 1083730635 KAWHVZYSLLBQCA-KYOSRNDESA-N 319.409 -0.343 30 20 DBED C=CCCn1cc(C(=O)N(C)C[C@@H]2CCN2CC(=O)NC)nn1 1085862985 NPLWHDHUTSVTGZ-LBPRGKRZSA-N 320.397 -0.254 30 20 DBED C[C@H](C[C@@H](C)Nc1ccc(C#N)nn1)NC(=O)CNC(N)=O 1089216357 WBDSMVPLAPINNH-RKDXNWHRSA-N 305.342 -0.288 30 20 DBED CCc1nc(C#N)cc(N2C[C@@H](O)[C@H](NC(=O)[C@H](C)OC)C2)n1 1090377545 GHUQWTKIPWCPPG-MVWJERBFSA-N 319.365 -0.389 30 20 DBED COCCOCC(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@H]1O 1090404060 GWIRLECYSOPCSK-TZMCWYRMSA-N 320.349 -0.718 30 20 DBED COCCC(=O)N1CCCO[C@@H](CN=c2cc[nH]c(C#N)n2)C1 1090564770 IGEPRVWPDQRAIM-LBPRGKRZSA-N 319.365 -0.164 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2cnc3cccnn23)[C@H](O)C1 1090631612 UXZPCBOPGCTSSJ-GXTWGEPZSA-N 313.361 -0.082 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCN(CCCO)C[C@@H]2O)nn1 1090633093 LRFPTTBUTMOZAB-YPMHNXCESA-N 309.370 -0.989 30 20 DBED C#CCN1CCC(C(=O)N[C@H]2CCN(CCF)C[C@H]2O)CC1 1090831914 XHGSZNYPTSOVHK-LSDHHAIUSA-N 311.401 -0.148 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(c2ncc(F)cn2)C[C@H]1OC 1090921524 OQKGIHRZLSZUSQ-CYZMBNFOSA-N 322.340 -0.026 30 20 DBED CS[C@H](C)C(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1091066520 WKGGESZBZQRPRW-IEBDPFPHSA-N 307.379 -0.235 30 20 DBED N#Cc1nccc(N2C[C@H](O)[C@H](NC(=O)COCC3CC3)C2)n1 1091080570 GQQUEJIGJUJKSS-NEPJUHHUSA-N 317.349 -0.559 30 20 DBED C#CCNC1CC(CNC(=O)c2ccc(-n3cnnn3)cn2)C1 1091161433 VIIBUXPXGHSQBG-UHFFFAOYSA-N 311.349 -0.212 30 20 DBED CC(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(C#N)n1 1092797722 YVXXTCLFSDBGRU-AGIUHOORSA-N 314.349 -0.290 30 20 DBED C#CCN1C[C@@H](C)[C@H](CNC(=O)[C@H]2CN(C(C)=O)CCO2)C1 1093169316 CJQUWRWEVYOMGI-BPLDGKMQSA-N 307.394 -0.449 30 20 DBED N#Cc1ccc(NCCCNC(=O)C[C@H]2CCC(=O)N2)nn1 1094494388 MQWFCMYIZBHFNV-SNVBAGLBSA-N 302.338 -0.065 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)c3ccnc(C)n3)CC2=O)C1 1094816883 GIWPNZQOGRAQSH-GFCCVEGCSA-N 313.361 -0.567 30 20 DBED N#CCN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN1C(=O)CCC1=O)C2 1095052472 PZJMIKFHEHIFHK-SRVKXCTJSA-N 304.350 -0.372 30 20 DBED C[C@@H](CC(N)=O)C(=O)N1CC[C@H](N(C)c2ccc(C#N)nn2)C1 1095151041 RQMUGHSCKNRFMP-JQWIXIFHSA-N 316.365 -0.103 30 20 DBED CC(=O)NCC(=O)N1CCCN(c2cncc(C#N)n2)CC1 1095161763 PCIRHJIWHJWMLO-UHFFFAOYSA-N 302.338 -0.477 30 20 DBED CN1C[C@@H](C(=O)NCCCN(C)c2ccc(C#N)cn2)NC1=O 1095703598 TXXBREYMTPQADH-LBPRGKRZSA-N 316.365 -0.081 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CCN(c2ccc3nnnn3n2)C1 1096360389 MUNZHSPQRTVYBB-YGRLFVJLSA-N 317.353 -0.459 30 20 DBED CCS(=O)(=O)CC(=O)N[C@@H]1CCN(c2ccc(C#N)nn2)C1 1096390327 XJJHLTNKLNYKML-LLVKDONJSA-N 323.378 -0.522 30 20 DBED CC(=O)NCC(=O)NC[C@@H](Nc1nccnc1C#N)C1CC1 1096559240 IEIMPRCVOXZSOK-GFCCVEGCSA-N 302.338 -0.209 30 20 DBED C[C@H](CNC(=O)[C@@H]1CCCS1(=O)=O)Nc1cncc(C#N)n1 1097883449 MDTQVLREMROZHN-KOLCDFICSA-N 323.378 -0.158 30 20 DBED C[C@H](CNC(=O)C(=O)NCC(F)F)Nc1nccnc1C#N 1098134770 FBFPMUHFHFBJLC-SSDOTTSWSA-N 312.280 -0.354 30 20 DBED C#CCN(CCO)C1CCN(C(=O)[C@@H](C)NC(=O)CC)CC1 1098376561 SPKHADQYYUGRLU-CYBMUJFWSA-N 309.410 -0.180 30 20 DBED C=CCNCc1cn([C@@H]2CCN(C(=O)c3cnnn3C)C2)nn1 1098666641 CLEFVUZOCALAAD-GFCCVEGCSA-N 316.369 -0.231 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](n2cc(CNCCO)nn2)C1 1098672451 FQHNLHVNSLKVPS-CQSZACIVSA-N 321.381 -0.827 30 20 DBED C#CCN1C[C@@H]2CCC[C@]2(NC(=O)CN2CCC(=O)NC2=O)C1 1099109242 MOCUSFPRUFNDDI-LRDDRELGSA-N 318.377 -0.468 30 20 DBED C#CCN1CC(C)(C)CC[C@H]1CNC(=O)C[C@@H]1NC(=O)NC1=O 1099110290 AJVQPEPFXBSUJG-RYUDHWBXSA-N 320.393 -0.176 30 20 DBED CN(CCNC(=O)Cn1cnnn1)c1ncc(C#N)cc1F 1099921930 MPUCZRVUNSRVGK-UHFFFAOYSA-N 304.289 -0.669 30 20 DBED N#CCN1CC[C@H](NC(=O)C2(NC(N)=O)CCCCC2)[C@H](O)C1 1100026938 KCCNOWGVALJMFY-NWDGAFQWSA-N 323.397 -0.567 30 20 DBED CN(CCNC(=O)Cn1cnnc1O)c1ccncc1C#N 1100030352 SBQITGZDLVTIBH-UHFFFAOYSA-N 301.310 -0.497 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CNC(=O)C(C)(C)C)[C@H](O)C1 1100107501 GNMHJCGGKGKLPU-CHWSQXEVSA-N 309.410 -0.277 30 20 DBED Cc1cc(C#N)nc(N(C)CCNC(=O)Cn2nccn2)n1 1100164631 RAMBPNUMJCXMPW-UHFFFAOYSA-N 300.326 -0.499 30 20 DBED CO[C@H](C(=O)NCCN(C)c1cnc(C#N)cn1)[C@H]1CCOC1 1100251045 ZFLFWFZOLPWWIN-FZMZJTMJSA-N 319.365 -0.048 30 20 DBED CN(CCNC(=O)[C@H]1CC[C@@H](C(N)=O)C1)c1ccnc(C#N)n1 1100328155 QHZGAPKVSGHMSC-MNOVXSKESA-N 316.365 -0.198 30 20 DBED CN(CCNc1cncc(C#N)n1)C(=O)c1nc2ncccn2n1 1101723904 ZPDAKUDGGOOUPT-UHFFFAOYSA-N 323.320 -0.030 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@@H](C)[C@H](CNC(=O)CC(=O)NC)C1 1101906849 CAZSJZOYYHNPJE-JHJVBQTASA-N 324.425 -0.503 30 20 DBED COCC(=O)N[C@H](C)C(=O)N(C)CCNc1cncc(C#N)n1 1102008369 OQZZSGSFEZQAKF-SNVBAGLBSA-N 320.353 -0.630 30 20 DBED CCC(=O)NCC(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(C#N)nn1 1102539100 JWATWBKNKHQWOE-RYUDHWBXSA-N 314.349 -0.336 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)[C@H]1CCN(C)C1 1103973672 JPDXZSACHHFNAG-NEPJUHHUSA-N 302.382 -0.114 30 20 DBED C[C@H](CNC(=O)[C@H]1CCN(C)C1=O)CNc1cncc(C#N)n1 1104159031 HWHRLPIODPPDTR-CMPLNLGQSA-N 316.365 -0.009 30 20 DBED CC(=O)NCC(=O)NC[C@H]1CN(c2ccc(C#N)cn2)CCO1 1104283157 IGTSKKVBNIZJMF-ZDUSSCGKSA-N 317.349 -0.589 30 20 DBED N#Cc1cccnc1N1CCO[C@@H](CNC(=O)CC(N)=O)C1 1104305444 OIRHMJVTVFCHNQ-NSHDSACASA-N 303.322 -0.850 30 20 DBED COC[C@@H](C)C(=O)NC[C@H]1CN(c2ccnc(C#N)n2)CCO1 1104309483 BCBFDXICVWJSFT-NEPJUHHUSA-N 319.365 -0.048 30 20 DBED C=CCNCc1cn(C2CN(C(=O)CN(C)C(C)=O)C2)nn1 1105169500 IXAGNILFCMWKQE-UHFFFAOYSA-N 306.370 -0.585 30 20 DBED C#CCNCc1cn(C2CN(C(=O)[C@@H]3C[C@H]4C=C[C@H]3O4)C2)nn1 1105272277 FCBBDURLPCIAGY-RBSFLKMASA-N 313.361 -0.272 30 20 DBED CN(CCN(C)c1ccc(C#N)nn1)C(=O)C(C)(C)C(N)=O 1105490356 NLUPOYHMPLAMKU-UHFFFAOYSA-N 304.354 -0.246 30 20 DBED CN1C[C@@H](C(=O)N(C)CCN(C)c2cncc(C#N)n2)NC1=O 1105536156 OLKIYWHVUPAWRX-NSHDSACASA-N 317.353 -0.734 30 20 DBED CN1CCOC[C@@H]1C(=O)NC[C@@H](O)CNc1ncccc1C#N 1105829437 SDROMQNWUWXIKH-QWHCGFSZSA-N 319.365 -0.827 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)[C@@H]2CCCNC2=O)C[C@H]1C 1106283884 ZTZYBEKFUBQTOA-RBSFLKMASA-N 321.421 -0.154 30 20 DBED C#CCN1CC(n2cc(CNC(=O)[C@@H](C3CC3)N(C)C)nn2)C1 1107179334 JQIGRYBIXWRVIU-OAHLLOKOSA-N 316.409 -0.276 30 20 DBED C[C@@]1(CNC(=O)CN2CCCNC2=O)CN(CC#N)CCO1 1108049268 KAYPNCYNNNFSHT-CQSZACIVSA-N 309.370 -0.868 30 20 DBED C=CCNC(=O)CN1CCO[C@@](C)(CNC(=O)c2cnco2)C1 1108104324 BNHLXJQJALPDKO-HNNXBMFYSA-N 322.365 -0.203 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CC(=O)N(C2CN(CC#CC)C2)C1 1108538744 NGLAQOUVXXBAHO-CXAGYDPISA-N 319.405 -0.262 30 20 DBED N#Cc1cncc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)C2(C(N)=O)CC2)n1 1109740251 MKLBLOCXBMJDQG-QRTLGDNMSA-N 312.333 -0.693 30 20 DBED N#Cc1nccc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)CCc2cnn[nH]2)n1 1109742215 XDVWFOFOEIIIRG-BPYAMOTFSA-N 324.348 -0.208 30 20 DBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CNC(C)=O 1110239287 UZXMYLIUNPCVMV-UPJWGTAASA-N 308.382 -0.854 30 20 DBED C[C@@H](CC(N)=O)C(=O)NCC1(Nc2nccnc2C#N)CC1 1110298144 IAXMMVGGRRFGAA-VIFPVBQESA-N 302.338 -0.080 30 20 DBED C=CCOCC(=O)N(C)[C@H]1CN(c2cc(F)ncn2)C[C@@H]1O 1111175711 QHYMNPMHAJRJBJ-QWRGUYRKSA-N 310.329 -0.174 30 20 DBED C[C@H]1CN(C(=O)CNC(N)=O)C[C@H]1CNc1nccnc1C#N 1111241040 NOCSPWZZLIPKMX-VHSXEESVSA-N 317.353 -0.477 30 20 DBED CO[C@H](C)C(=O)N[C@]1(CO)CCCN(c2cnc(C#N)cn2)C1 1111336467 QKWDGFOBLYDBPL-IAQYHMDHSA-N 319.365 -0.169 30 20 DBED N#Cc1ccc(NCC2(NC(=O)C(N)=O)CCOCC2)cn1 1112262621 CLXYQVQMJBHAHV-UHFFFAOYSA-N 303.322 -0.484 30 20 DBED C[C@H]1CN(C(=O)CNC(N)=O)C[C@@H]1Nc1ccc(C#N)cn1 1112307484 ZLFZMNIJTRCRNE-ONGXEEELSA-N 302.338 -0.120 30 20 DBED C[C@H]1C[C@H](NC(=O)CNC(N)=O)CCN1c1cncc(C#N)n1 1112457011 GRWSYGGACAQFCZ-VHSXEESVSA-N 317.353 -0.510 30 20 DBED CC(=O)NCC(=O)NC[C@H]1CN(c2ncccc2C#N)C[C@@H]1O 1112695578 WNUCUPCAMTWYLQ-STQMWFEESA-N 317.349 -0.997 30 20 DBED CCCOCC(=O)NC[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1O 1112709070 DWCJPAWTMKKBEL-VXGBXAGGSA-N 319.365 -0.312 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)CCc2ccncc2)CC1 1113057101 CISMIQWXKRFKPX-UHFFFAOYSA-N 315.377 -0.202 30 20 DBED COCC#CCN1CCN(C(=O)[C@H](OC)[C@H]2CCOC2)CC1 1113158944 RLDBPYPDXYKDCI-LSDHHAIUSA-N 310.394 -0.168 30 20 DBED C[C@H](N=c1cc[nH]c(C#N)n1)[C@H](C)NC(=O)C1CS(=O)(=O)C1 1113183448 PGKDTVVYAZZOEY-IUCAKERBSA-N 323.378 -0.880 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)COc2ccsc2)CC1 1113542035 LWQNDZBPRVUIIJ-UHFFFAOYSA-N 322.390 -0.089 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)CC[C@H]3CCCO3)[C@@H]2C1 1113910937 MEKLXLCCHJNGAR-MGPQQGTHSA-N 319.405 -0.259 30 20 DBED CC(C)CO[C@H](C)C(=O)NC1[C@H]2CN(CC(=O)NCC#N)C[C@H]12 1113965195 KLIYDXUHGXPGSV-AGIUHOORSA-N 322.409 -0.266 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)[C@H]3CCCCO3)[C@@H]2C1 1114141862 WSYSERLUMZIWMR-JHJVBQTASA-N 307.394 -0.096 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1[C@@H]2CN(C[C@H]3CCCOC3)C[C@@H]21 1114160242 UKTUMTGVUZUZOI-WVZRYYJFSA-N 319.405 -0.401 30 20 DBED C=C[C@](C)(O)CC(=O)NC1[C@@H]2CN(Cc3ncnn3C)C[C@@H]12 1114193861 IKRJUFKUWQPEIU-HFAKWTLXSA-N 305.382 -0.311 30 20 DBED C#CCCCC(=O)N[C@H]1[C@@H]2CN([C@H](C)C(=O)NCC#C)C[C@@H]21 1114201375 ODGGBKCBZLLVOK-NYTXWWLZSA-N 301.390 -0.026 30 20 DBED C#CCO[C@H](C)C(=O)NC1[C@@H]2CN(Cc3cnnn3CC)C[C@@H]12 1114271233 RIRMQSIHRGSCOH-MRVWCRGKSA-N 317.393 -0.117 30 20 DBED C=C(Cl)CN1C[C@@H]2C(NC(=O)CCNC(=O)COC)[C@H]2C1 1114368403 LGTJEYNGCBDXEQ-QWRGUYRKSA-N 315.801 -0.062 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)Cc3cnc(C)o3)[C@H]2C1 1114401050 MVTXUWNBDDZGDO-VIKVFOODSA-N 316.361 -0.679 30 20 DBED CC(=O)c1ccc(NC(=O)C(=O)NCC(=O)NCC#N)cc1 1117461612 XLBQBTDUCNMWMC-UHFFFAOYSA-N 302.290 -0.416 30 20 DBED Cn1nnc2c(=O)n(CC(=O)N[C@@](C)(C#N)C3CC3)cnc21 1118171926 JSLHVUWBKBBXRF-ZDUSSCGKSA-N 301.310 -0.667 30 20 DBED CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)C1 1118189355 OOGOJBGODGXCSD-CJNGLKHVSA-N 322.409 -0.195 30 20 DBED C[C@H](Cn1ccnc1)NC(=O)C(=O)N1CC[C@](O)(CC#N)C1 1118212086 XXIYTYWFDGHASH-BXUZGUMPSA-N 305.338 -0.735 30 20 DBED C#CC1CCN(C(=O)C(=O)N2CC[C@H](C(=O)N(C)C)C2)CC1 1118253403 OKHULMGYJMFWRG-ZDUSSCGKSA-N 305.378 -0.205 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)NC[C@@H]2CCCCN2)CCN1C1CC1 1119351395 UAOJDJIAXRKSHH-JSGCOSHPSA-N 319.409 -0.557 30 20 DBED N#CCSCC(=O)NC[C@H](CO)Nc1nccnc1C#N 1121079855 XDCLEDSKFVFJHC-SECBINFHSA-N 306.351 -0.506 30 20 DBED Cc1cc(C#N)nc(N[C@@H](CO)CNC(=O)COC(C)C)n1 1121277489 CASCEXSXKGZRDH-GFCCVEGCSA-N 307.354 -0.029 30 20 DBED Cc1[nH]nc(C(=O)NC[C@@H](CO)Nc2ccc(C#N)cn2)c1O 1121456328 WKERDENAMFOHDN-JTQLQIEISA-N 316.321 -0.107 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H](CO)Nc2cnc(C#N)cn2)cn1 1121848406 XPGXEMRAVXVGDW-AWEZNQCLSA-N 322.328 -0.073 30 20 DBED Cc1nonc1CC(=O)NC[C@@H](CO)Nc1cnc(C#N)cn1 1121956284 OYRIIRIJBSQNJZ-JTQLQIEISA-N 317.309 -0.829 30 20 DBED Cc1conc1C(=O)NC[C@H](CO)Nc1cnc(C#N)cn1 1121976634 CTQVNDSQGQQONZ-SNVBAGLBSA-N 302.294 -0.153 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H](CO)Nc1ncccc1C#N 1122034473 APRGAKQAPRECAQ-WCQYABFASA-N 302.334 -0.119 30 20 DBED CN1CCCC[C@H]1C(=O)NC[C@H](CO)Nc1ccc(C#N)nn1 1122342930 TXEXUKADJSKQDK-OLZOCXBDSA-N 318.381 -0.278 30 20 DBED CN(C[C@H](O)CNc1cnc(C#N)cn1)C(=O)c1cn(C)cn1 1124246451 PMPIQINKIDNOOU-LLVKDONJSA-N 315.337 -0.373 30 20 DBED CNC(=O)CC(=O)N(C)C[C@H](O)CNc1ccc(C#N)nc1 1124257106 PWDPEJHDJWERHK-GFCCVEGCSA-N 305.338 -0.679 30 20 DBED C=CCO[C@H](C)C(=O)N(C)C[C@H](O)CN=c1cc[nH]c(C#N)n1 1124385850 LBAPYVKVGKMQIT-VXGBXAGGSA-N 319.365 -0.408 30 20 DBED CSCC(=O)N(C)C[C@@H](O)CN(C)c1nccnc1C#N 1124924687 GTIBELUEQZYGHU-SNVBAGLBSA-N 309.395 -0.033 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NCCN[C@@H](C)c1nnnn1C 1127604303 CUIKADANXOQULT-TUAOUCFPSA-N 308.386 -0.042 30 20 DBED CC#CCN1CCn2ncc(CNC(=O)CC(=O)NCC)c2C1 1128322144 VMTRGRRXGIJBPE-UHFFFAOYSA-N 317.393 -0.136 30 20 DBED C=C(C)CN1C[C@H](n2ccnn2)[C@H](NC(=O)CNC(=O)CC)C1 1128829443 DFCJUENYYIOCBX-OLZOCXBDSA-N 320.397 -0.278 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@H]1CCn2ccnc2C1 1130484126 FTFYMDFQLHCPLI-STQMWFEESA-N 317.393 -0.711 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)Cc2ccc(O)nc2)C1=O 1131453258 IGDXTEXXRWQMJK-CYBMUJFWSA-N 318.377 -0.178 30 20 DBED C#CCOCCC(=O)N[C@@H]1CC[C@@H](C)N(CC(=O)NC(N)=O)C1 1132029276 JVXNWZSNURRVFR-VXGBXAGGSA-N 324.381 -0.810 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CCC(=O)N1C(C)C 1132808151 LTUQVQYMTAOODL-OLZOCXBDSA-N 324.425 -0.218 30 20 DBED C#CCNC[C@@H]1CN(C(=O)Cn2nc(C)n(C)c2=O)CC[C@@H]1C 1133288230 HUDWBNCIBGTICU-GXTWGEPZSA-N 319.409 -0.402 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)CNC(=O)CC 1133946038 QBGRWZDMXNUJBX-NWDGAFQWSA-N 310.398 -0.865 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)C[C@H](C)NCCn1cncn1 1134129952 ABZJMENXCHQLHZ-QWHCGFSZSA-N 320.397 -0.710 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NCCNCC(=O)N1CCC1 1134813037 XQPLDVGXOJTVFF-ZDUSSCGKSA-N 310.398 -0.605 30 20 DBED COCC#CCN[C@H](C)C[C@@H](C)NC(=O)CN1CCCNC1=O 1134848304 MYQJEGPJSIJUOG-ZIAGYGMSSA-N 324.425 -0.076 30 20 DBED C#Cc1ccc(C(=O)NCCNCC(=O)NCC2CC2)nc1 1148370445 XUIFMEBWDQAEQJ-UHFFFAOYSA-N 300.362 -0.092 30 20 DBED C=CCNC(=O)CN1CCCO[C@@H](CNC(=O)[C@H](C)OC)C1 1149295062 YTTJQKTZXUYSMH-STQMWFEESA-N 313.398 -0.469 30 20 DBED C=CCC1(C(=O)NCCNCC(=O)NCC#N)CCOCC1 1149305894 LHQFOGQRXATAOA-UHFFFAOYSA-N 308.382 -0.295 30 20 DBED CN(C)S(=O)(=O)CC(=O)NCCNCC#Cc1ccccc1 1149426462 AZIAJLHCEXAXDI-UHFFFAOYSA-N 323.418 -0.365 30 20 DBED COCC#CCNCCNC(=O)[C@H](C)NC(=O)c1ccco1 1151659676 JESSMSCQSSLTAT-LBPRGKRZSA-N 307.350 -0.247 30 20 DBED N#CCNC(=O)CNCCNC(=O)Cc1n[nH]c2ccccc12 1152260714 KTSIFWVIOUDCKG-UHFFFAOYSA-N 314.349 -0.549 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)c1nnn(C)c1C 1152597452 XOJFOZUIDJONRJ-SNVBAGLBSA-N 321.385 -0.797 30 20 DBED C=CCNC(=O)NC(=O)CNCCCNC(=O)c1ccon1 1155144154 ZNBDMBMORBSRHQ-UHFFFAOYSA-N 309.326 -0.604 30 20 DBED O=C(C#CC1CC1)NCCCNCc1nnc2n1CCOC2 1157705311 WEDAKNAAFYIFKJ-UHFFFAOYSA-N 303.366 -0.182 30 20 DBED C#CCN1CC=C(CCNC(=O)CNC(=O)CNC(C)=O)CC1 1160537472 NDEJKTMANUIDPP-UHFFFAOYSA-N 320.393 -0.990 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)c1cnn(C)c1CC 1161750342 DVOLZURWZCBTSQ-LBPRGKRZSA-N 319.409 -0.170 30 20 DBED C#CCNC(=O)CNCC1(CCNC(=O)c2cnnn2C)CC1 1164358965 KMOJQKXKXPEPDF-UHFFFAOYSA-N 318.381 -0.946 30 20 DBED C=CCCCN[C@H]1CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)[C@H]1C 1179667157 SOJXEZSIXALEQJ-UBHSHLNASA-N 324.425 -0.088 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)[C@H](C)OCC=C)[C@H]1C 1180268613 DICDISPPZGOJNG-IHRRRGAJSA-N 307.394 -0.094 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)CCc2cnc[nH]2)C1 1183115263 GMEAKZAGFPWDDS-CYBMUJFWSA-N 303.366 -0.718 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)C2)C1 1184058504 MTYBWZVZCPFKMQ-CHWSQXEVSA-N 314.407 -0.739 30 20 DBED COCC#CCN(C)[C@@H]1CCN(C(=O)c2nnn(C)c2C)C1 1189498800 CIGSHYUFNRXLDY-CYBMUJFWSA-N 305.382 -0.080 30 20 DBED COCC#CCN(C)[C@@H]1CCN(C(=O)C2CS(=O)(=O)C2)C1 1190335798 BARPNBBBRHQJCD-CYBMUJFWSA-N 314.407 -0.787 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)C(C)(C)COC)C1 1191360431 ONVBXDLUAOMXNL-CYBMUJFWSA-N 309.410 -0.059 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)[C@@]2(F)CCOC2)C1 1191947304 ICAMQXYGXLDTKM-IUODEOHRSA-N 313.373 -0.050 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2conc2C)C1 1192101609 DSAFQJUFFNLDQC-GFCCVEGCSA-N 304.350 -0.121 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)CS(=O)(=O)CC(C)C)C1 1194176974 NOKJDAGPCQFCPC-VXGBXAGGSA-N 304.412 -0.596 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)C2CCOCC2)CC1 1194612811 YQSKJPLWCQZDFZ-UHFFFAOYSA-N 307.394 -0.303 30 20 DBED C#CCNC(=O)CC(=O)N1CCCN(Cc2cnn(C)c2)CC1 1195535153 KAAVTMSAHJDPKL-UHFFFAOYSA-N 317.393 -0.406 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCCN(C[C@H](O)COC)CC1 1195652852 ZKARAEKSPHOJDI-ZFWWWQNUSA-N 300.399 -0.145 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)CNC(=O)C2CCCCC2)C1 1198345438 JGFLOXYXOCXRDB-ZIAGYGMSSA-N 307.394 -0.523 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2cc(C)n(C)n2)C[C@H]1O 1199313608 LMHFNRFNHVHFDY-NWANDNLSSA-N 322.409 -0.019 30 20 DBED C#CCNC[C@@H]1CN(C(=O)C[C@H]2CCCC(=O)N2)CCCO1 1200929989 KDCXCEYLJGXQTO-ZIAGYGMSSA-N 307.394 -0.115 30 20 DBED COCC#CCNC1CCN(C(=O)[C@@H]2CCCNC2=O)CC1 1201149847 MVDGQCKLRHXLKL-CQSZACIVSA-N 307.394 -0.257 30 20 DBED C#CCCN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)CN1CC(=O)NC1=O)C2 1204797846 BAQBTIRKMRBXRD-JHJVBQTASA-N 318.377 -0.469 30 20 DBED C#CCNC(=O)CC(=O)N1CCC(CNC[C@H]2CCOC2)CC1 1205050253 OQSCGIMUSRLWBE-OAHLLOKOSA-N 321.421 -0.009 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)[C@@]23COC[C@@H]2C3)[C@H](C)C1 1207001359 VHYSKHZJAGNGNX-IATRGZMQSA-N 307.394 -0.238 30 20 DBED CC#CCN1C[C@@H](NC(=O)CNS(=O)(=O)CC)[C@H](C)C1 1207290111 PUPLVFCUGRUDKA-VXGBXAGGSA-N 301.412 -0.615 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1NC(=O)CCCCCS(N)(=O)=O 1211508676 CPOXVITUXCURJB-VXGBXAGGSA-N 316.427 -0.205 30 20 DBED CCNC(=O)CN1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@H](OC)C1 1212126966 DIBAINHJTJXHRW-CHWSQXEVSA-N 319.365 -0.549 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CN(CCCOC)C[C@H]2OC)nn1 1213543292 RUUNYHGGEXEZNS-TZMCWYRMSA-N 323.397 -0.070 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2csnn2)C[C@@H]1O 1219605649 YOONBUHNMZUEHY-WCQGTBRESA-N 310.379 -0.762 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2cc(CC)on2)C1 1220791801 KYJQRUGHGFUQCP-OLZOCXBDSA-N 322.365 -0.686 30 20 DBED C=CCCCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCC(=O)N(C)C2)C1 1221095422 DTBWSDRIWNRWCI-MJBXVCDLSA-N 309.410 -0.018 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCC[C@H](NCc2nnnn2C)C1 1222067701 LNUCLWKIYWWNFI-RYUDHWBXSA-N 308.386 -0.118 30 20 DBED CNC(=O)NC(=O)[C@H](C)N1CCC(CNC(=O)[C@@H](C)C#N)CC1 1222664514 VTHXARZPDYMXPB-QWRGUYRKSA-N 323.397 -0.182 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)Cc2ccon2)CC1 1222692075 YIQKJAVSIBZKMQ-UHFFFAOYSA-N 318.377 -0.205 30 20 DBED COCC#CCN1CCC(CNC(=O)Cn2cncn2)CC1 1225356354 HZVQYUIGUBOGNC-UHFFFAOYSA-N 305.382 -0.244 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)c2cnnn2CC)CC1 1227233196 QCXDTJYYSBUQKL-UHFFFAOYSA-N 320.397 -0.206 30 20 DBED CC(C)C#CC(=O)N(C)C[C@@H]1CCN1CCNS(C)(=O)=O 1234170726 MHHHHEQBMZOMLH-ZDUSSCGKSA-N 315.439 -0.272 30 20 DBED Cc1cc(C(=O)NCCCN(C)CC(=O)NCC#N)n(C)n1 1234579874 UTUBLLUFISBGQG-UHFFFAOYSA-N 306.370 -0.580 30 20 DBED C[C@@H]1COCCCN1C(=O)C(=O)NC1CCN(CC#N)CC1 1258227840 JYLLWRLKWIGTNH-GFCCVEGCSA-N 308.382 -0.272 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@@H](NC(=O)CC2(O)CCC2)C1 1316976028 HXXWVKTYWRVFHT-CHWSQXEVSA-N 307.394 -0.380 30 20 DBED C[C@@H](CS(C)(=O)=O)NC(=O)C(=O)NCc1ccc(C#N)cc1 1322163025 WCBDXAMWSMWZCY-JTQLQIEISA-N 323.374 -0.276 30 20 DBED COC[C@](C)(C#N)NC(=O)COCC(=O)NCc1cccnc1 1322757827 PILLYPPFCAVASJ-HNNXBMFYSA-N 320.349 -0.241 30 20 DBED C=C[C@H]1CCCCN1C(=O)C(=O)NCCCN1C(=O)CNC1=O 1323280958 XMDMFLSPYIEIPW-NSHDSACASA-N 322.365 -0.388 30 20 DBED CS(=O)(=O)CCNN=Cc1cn(Cc2cccnc2)nn1 1323706894 YLDFJMHGLCAYBH-UHFFFAOYSA-N 308.367 -0.311 30 20 DBED CC#CCN(C)C(=O)C(=O)N1CCN(CC(C)(C)O)C[C@@H]1C 1325115131 NKDXNXMHFUNLTN-ZDUSSCGKSA-N 309.410 -0.228 30 20 DBED CO[C@@H]1CS(=O)(=O)C[C@@H]1/N=C\c1c(CO)cnc(C)c1O 1327264448 NHRLSORSOTWLRR-DWRXFARSSA-N 314.363 -0.181 30 20 DBED COCC#CC(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 1328085689 XYRRBXIFLMSMPG-UHFFFAOYSA-N 306.322 -0.670 30 20 DBED CN(Cc1cn(C)nn1)C(=O)C(=O)N1CCC[C@@H](CC#N)C1 1330470774 AGTDQVRBOPMWOJ-NSHDSACASA-N 304.354 -0.074 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)NCc1nnc2n1CCC2 1330958964 JMDHMEVLNOFFDM-NSHDSACASA-N 319.365 -0.615 30 20 DBED N#CCCN1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 1331112426 WCHDBTTYFOKMOS-ZDUSSCGKSA-N 308.342 -0.317 30 20 DBED CN1C[C@@H](NC(=O)C(=O)NCCc2ccc(C#N)cc2)CC1=O 1334030451 CXLGFBXSHFOSGZ-ZDUSSCGKSA-N 314.345 -0.436 30 20 DBED C#CCOCCn1nnnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1334393020 NDBFJQQIMXNKQT-STQMWFEESA-N 307.354 -0.293 30 20 DBED COCC#CC(=O)NC1C[C@@H]2CC[C@H](C1)N2CC(=O)N(C)C 1334409398 QOGJKLXDDSWKIH-AGUYFDCRSA-N 307.394 -0.164 30 20 DBED C=CCn1c([C@@H](O)COC)nnc1N(C)C[C@@H]1COCCO1 1340658080 GWLDOGLKERCZGV-NEPJUHHUSA-N 312.370 -0.005 30 20 DBED CCC(=O)N[C@@H](CCSC)C(=O)NCC(=O)NCC#N 1341883931 YCHQTALHDYOLQR-VIFPVBQESA-N 300.384 -0.610 30 20 DBED C#CC1CCN(c2nnc(Cc3nn[nH]n3)n2CCOC)CC1 1342882956 GQCYVRCUJSLPFP-UHFFFAOYSA-N 316.369 -0.122 30 20 DBED Cn1cc(Cl)c(CNS(=O)(=O)N2CCO[C@H](C#N)C2)n1 1363982950 UGJRYQUYASTMEX-MRVPVSSYSA-N 319.774 -0.368 30 20 DBED COC(=O)[C@@](C)(CO)NS(=O)(=O)c1ccc(CC#N)cc1 1365419044 ZSNJMSWBMJRQQQ-CYBMUJFWSA-N 312.347 -0.045 30 20 DBED CNC(=O)NCC(=O)NC1(CNC(=O)c2cc(C#N)c[nH]2)CC1 1378714401 FCPZXUMFWXBNFT-UHFFFAOYSA-N 318.337 -0.806 30 20 DBED C[C@H](CNCc1ccc(C#N)s1)NC(=O)Cn1ncnn1 1379352748 BWSRSHPLJOLMLW-SECBINFHSA-N 305.367 -0.099 30 20 DBED COc1ncccc1C(=O)NC[C@H](O)CNC(=O)[C@H](C)C#N 1399854763 BCGRKSDIYAQWAK-NXEZZACHSA-N 306.322 -0.543 30 20 DBED N#Cc1cn(CC(=O)NCc2cnc(Cl)cn2)c(=O)nc1O 1417890583 LAHJVBKEYATGDF-UHFFFAOYSA-N 320.696 -0.420 30 20 DBED CCN(CCC#N)C(=O)CNC[C@H](C)NC(=O)c1cnccn1 1422620232 FMWVTBMWBRQRCC-LBPRGKRZSA-N 318.381 -0.053 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@@H](CNC(=O)[C@H]2CN(C)CCO2)C1 1429072369 MULHZBRLEZJRQE-WUHRBBMRSA-N 308.382 -0.512 30 20 DBED C[C@H](C#N)C(=O)NCCN(C)C(=O)[C@H]1CCCS1(=O)=O 1429456517 YVNUEFPMGUNBOC-NXEZZACHSA-N 301.368 -0.702 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CCN(C(=O)CCc2nc[nH]n2)C1 1430833581 YSZQSRLJWLMDKU-WDEREUQCSA-N 304.354 -0.138 30 20 DBED Cc1cncc(CC(=O)NC[C@H](O)CNC(=O)[C@H](C)C#N)c1 1431559148 FGGKIJMJGBXVNX-YPMHNXCESA-N 304.350 -0.315 30 20 DBED CCN(CC)C(=O)CN1CCN(CCNC(=O)[C@H](C)C#N)CC1 1436700938 UJIWIWVNUGHKDY-CQSZACIVSA-N 323.441 -0.252 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1cnn(CCF)c1 1452372748 BTCLLCMWLXMEAM-GXSJLCMTSA-N 311.317 -0.781 30 20 DBED COc1ccc(CNC(=O)Cn2cnc(C(N)=O)n2)cc1C#N 1462460918 YHSJKMZWSGRQFR-UHFFFAOYSA-N 314.305 -0.426 30 20 DBED C#CCNC(=O)CN1C[C@H]2CC[C@H]1CN2C(=O)C[C@H]1CCOC1 1485543379 GBQUFLAPCCOQLZ-QLFBSQMISA-N 319.405 -0.162 30 20 DBED C[C@H](C#N)C(=O)NCC1CN(C(=O)c2cccc(=O)n2C)C1 1498677364 JFIBXSXKCSZZDQ-SNVBAGLBSA-N 302.334 -0.267 30 20 DBED CCC(=O)NCC(=O)NCCN(CC)C(=O)c1c[nH]c(C#N)c1 1528785726 KJWGYZVCQLMFSG-UHFFFAOYSA-N 319.365 -0.009 30 20 DBED CCCS(=O)(=O)CC(=O)NCCN(CC)C(=O)[C@H](C)C#N 1528866883 WVJJIDJYAPQCDP-LLVKDONJSA-N 317.411 -0.064 30 20 DBED N#Cc1nc(NCC[C@]2(O)CCCOC2)cnc1-c1nn[nH]n1 1570917667 CBVNKGVQBUBRFM-CYBMUJFWSA-N 316.325 -0.128 30 20 DBED C[C@@H](C(=O)N1CCO[C@@](C)(C#N)C1)n1cnc(-c2nn[nH]n2)n1 1573642912 RBRSYPVVVHZTFQ-UFBFGSQYSA-N 317.313 -0.840 30 20 DBED C#C[C@H](NC(=O)[C@@H]1CCCN(CC(=O)O)C1=O)[C@@H]1CCCO1 1588387629 LCTVJMBINOEKQZ-SRVKXCTJSA-N 308.334 -0.393 30 20 DBED CC(C)(C)OC(=O)N[C@@H](CC(=O)O)C(=O)NCC#CCO 1590235705 CJWZXZFQSJVJTH-VIFPVBQESA-N 300.311 -0.534 30 20 DBED N#CCNC(=O)Cn1cc2c(c(-c3nn[nH]n3)c1=O)CCCC2 1592678631 GHKMNOFLRVLBKB-UHFFFAOYSA-N 313.321 -0.453 30 20 DBED N#Cc1c(-c2nn[nH]n2)nc(N)n1C[C@H]1CC2(CC2)C(=O)O1 1592682152 QWTRQMOJWKVEBY-ZCFIWIBFSA-N 300.282 -0.387 30 20 DBED N#Cc1ncn(CC(=O)NCc2cccnc2)c1-c1nn[nH]n1 1592710075 VIJFVLOMZPRQJZ-UHFFFAOYSA-N 309.293 -0.354 30 20 DBED C#CCN(CC(=O)O)C(=O)c1cn(C)nc1-c1cnn(C)c1 1602692731 XWKDDFBYECOIIS-UHFFFAOYSA-N 301.306 -0.019 30 20 DBED CN(C)[S@](C)(=O)=NC(=O)Cn1cnc(C#N)c1-c1nn[nH]n1 1604695072 TVLNZVSBISWDCH-JOCHJYFZSA-N 323.342 -0.964 30 20 DBED CN(C)[S@](C)(=O)=NC(=O)Cn1cnc(-c2nn[nH]n2)c1C#N 1604695092 UUDVDIUSTJKZFA-JOCHJYFZSA-N 323.342 -0.964 30 20 DBED CCN(C[C@H](C)C#N)C(=O)CN1CCN(C)C[C@@H](C(=O)O)C1 1609994232 VOGYLSHLRSYWIU-CHWSQXEVSA-N 310.398 -0.057 30 20 DBED CN1CCN(S(=O)(=O)c2cccnc2C#N)C[C@@H](C(=O)O)C1 1610138046 POXFANNMJNCHPK-JTQLQIEISA-N 324.362 -0.410 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)c2ccc(OC)nc2)C1 1713825782 AFAYEHCZPAJCJZ-ZDUSSCGKSA-N 316.361 -0.356 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1C[C@H](NC(=O)c2cnnc(O)c2)C1 1752635557 GIPMGSORAQDODS-YUSALJHKSA-N 317.349 -0.830 30 20 DBED C=CCNC(=O)NC(=O)CN[C@H]1C[C@@H](NC(=O)c2cc[nH]n2)C1 1752715209 GCIUTDYWAKSGES-AOOOYVTPSA-N 320.353 -0.728 30 20 DBED N#CCNC(=O)CN[C@H]1C[C@@H](NC(=O)c2cnn3cc[nH]c23)C1 1752773262 DAYVWMWYRHCTDK-AOOOYVTPSA-N 315.337 -0.847 30 20 DBED COCC#CCNC[C@H]1CCCN(C(=O)c2cn(C)nn2)C1 1752798332 XXHPOFIJLXMHMD-CYBMUJFWSA-N 305.382 -0.093 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)[C@H](C)OCC)[C@H]2C1 1752842917 CBHVYLZKZHZGLQ-BJJPWKGXSA-N 307.394 -0.404 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](CN[C@H](C)c2nnnn2C)C1 1752937896 DDVBZXIVBUQLKO-OLZOCXBDSA-N 320.397 -0.251 30 20 DBED C=CCNC(=O)CNCCN(C)C(=O)[C@@H]1CCc2nccn2C1 1753204829 BDJKJCHHVQZDMN-CYBMUJFWSA-N 319.409 -0.204 30 20 DBED C#CCNC(=O)CNC[C@H](O)CNC(=O)[C@@H]1CCC(C)(C)C1 1753927154 DZEGYOAARFYVPZ-OLZOCXBDSA-N 309.410 -0.371 30 20 DBED COCC#CCNC[C@H](NC(=O)[C@@H](C)S(C)(=O)=O)C1CC1 1754443918 AYORGJKUPPDKMC-YPMHNXCESA-N 316.423 -0.446 30 20 DBED C#CCNC(=O)CN1CCC(C)(NC(=O)Cc2cnc[nH]2)CC1 1754629346 ZPEZGIPXLOJCPN-UHFFFAOYSA-N 317.393 -0.328 30 20 DBED C#CCN(C(=O)CCS(C)(=O)=O)C1CCN(CC#N)CC1 1754639021 SSSNNHXUINSFIL-UHFFFAOYSA-N 311.407 -0.129 30 20 DBED C=CCCOCC(=O)NC[C@@]1(O)CCN(Cc2nncn2C)C1 1754762177 KWDVTRZCUZBKAT-HNNXBMFYSA-N 323.397 -0.539 30 20 DBED C#CCNC(=O)CNC1(CNC(=O)c2cnc(O)n2C)CCC1 1754984428 IWAZVVIKRNOXEX-UHFFFAOYSA-N 319.365 -0.883 30 20 DBED C#CCNCC1(NC(=O)[C@@H]2CC(=O)NC(=O)N2)CCCCC1 1755353894 AHAMWUNGQBRFGY-NSHDSACASA-N 306.366 -0.374 30 20 DBED COCC#CCN[C@H](CO)CNC(=O)COc1ccccc1F 1755646448 QAJSKWGYYZTEOE-ZDUSSCGKSA-N 324.352 -0.079 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)[C@H](C)NC(C)=O)CC1(C)C 1755751003 FTPJPCWXSTVEBY-GXTWGEPZSA-N 309.410 -0.013 30 20 DBED C#CCCNC[C@@H](O)CN(C)C(=O)[C@H]1CCc2nncn2C1 1755796917 WPPQAJIRZUNGKS-QWHCGFSZSA-N 305.382 -0.727 30 20 DBED CN(C[C@H](O)CNCC#N)C(=O)CNC(=O)c1ccc(F)cc1 1755797277 YJNBJSZHRGOQDW-CYBMUJFWSA-N 322.340 -0.512 30 20 DBED C=CCCOCC(=O)N[C@H](C)C1CN(C(=O)Cn2nccn2)C1 1756146831 DDSDGUUHGQUCOK-GFCCVEGCSA-N 321.381 -0.166 30 20 DBED C#CCN1CCC(C(=O)NC[C@H](CO)NC(=O)[C@@H]2C[C@H]2C)CC1 1756526873 AEDAXRZXLJNRDP-BPLDGKMQSA-N 321.421 -0.419 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2[nH]ccc2C)C1 1756991586 DSJDKKWOEWMHEA-YNEHKIRRSA-N 319.361 -0.337 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1CN(C(=O)C[C@H]2CCNC2=O)C[C@H]1O 1757022675 ZFIFNXZLFZCBMZ-IJLUTSLNSA-N 323.393 -0.587 30 20 DBED CN(C[C@H]1CCN1C(=O)CSCC#N)C(=O)c1cnn[nH]1 1757295544 YITVIGRYWPLACQ-SECBINFHSA-N 308.367 -0.266 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)C(C)(C)C 1792920600 ZJSMDRANCHDYJN-XCCSTKFXSA-N 308.378 -0.384 30 20 DBED N#CCCN(CCN1CCOCC1)C(=O)[C@H]1CCC(=O)NC1 162494868 JQVQSMXLLLYZOA-ZDUSSCGKSA-N 308.382 -0.413 30 20 DBED Cn1nnc(C/N=C(/N)N2CCN(c3ccc(F)cc3)CC2)n1 262806905 SKUINKHAYZVILD-UHFFFAOYSA-N 318.360 -0.014 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@H](C(=O)O)C(C)C 263566304 WMOSUZSDSDXAFD-JTQLQIEISA-N 307.372 -0.208 30 20 DBED COC[C@H](CCO)NC(=O)CNC(=O)c1ccc(C#N)cc1 270408892 NDIUXNSVGGHZSV-ZDUSSCGKSA-N 305.334 -0.198 30 20 DBED C[C@@H](O)C(=O)N1CCN(C(=O)COc2ccccc2C#N)CC1 270833304 GNQRBUCJZIKDIX-GFCCVEGCSA-N 317.345 -0.011 30 20 DBED CNC(=O)[C@H]1CN(S(=O)(=O)c2ccc(C#N)cc2)CCO1 272732065 FGPPWUUUACIVMJ-GFCCVEGCSA-N 309.347 -0.306 30 20 DBED C[C@@H](O)[C@H](NS(=O)(=O)c1ccc(F)cc1C#N)C(=O)O 274905290 JCQMHRKPVHMJQL-LDWIPMOCSA-N 302.283 -0.190 30 20 DBED CC(C)C[C@H]1C(=O)NCCN1c1c(C#N)c(=O)n(C)c(=O)n1C 275508877 UROMJLXWXAQCQB-NSHDSACASA-N 319.365 -0.693 30 20 DBED COC(=O)[C@@H]1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)C[C@H]1C 276924963 PBCXKTOEXQLOQX-NXEZZACHSA-N 320.349 -0.409 30 20 DBED C#CCNC(=O)CCN1CCC2(CC1)CC(C(=O)OC)=NO2 294554901 LAJLSFCFTXICNN-UHFFFAOYSA-N 307.350 -0.090 30 20 DBED N#Cc1cncc(S(=O)(=O)NC[C@H]2CCS(=O)(=O)C2)c1 312798852 APTCVDAVDQCUID-SECBINFHSA-N 315.376 -0.334 30 20 DBED C[C@](CO)(NS(=O)(=O)c1cccc(F)c1C#N)C(=O)O 313536071 HPVFNJZDOUMPGI-LLVKDONJSA-N 302.283 -0.189 30 20 DBED CN1CCN(C(=O)CC/N=C(/O)c2cnc3[nH]nnc3c2)CC1 329456084 PYQJNYJXRXKVSB-UHFFFAOYSA-N 317.353 -0.178 30 20 DBED COC[C@@H]1CN(/C(O)=N/[C@@H](C)CN2CCOCC2)CCO1 330935092 LPRUOIFPOAAPPY-STQMWFEESA-N 301.387 -0.032 30 20 DBED COC(=O)[C@H](O)C(C)(C)NS(=O)(=O)N(C)C[C@H](C)C#N 332499314 ICRZPAHGQOPPSK-BDAKNGLRSA-N 307.372 -0.775 30 20 DBED CC(C)(C)OC(=O)CCNS(=O)(=O)N1CCO[C@H](C#N)C1 336895643 MTANZUAMCDVHSP-SNVBAGLBSA-N 319.383 -0.223 30 20 DBED C=CCN1CC[C@@H](N2CCN(CC(=O)NCCOC)CC2)C1=O 337133471 MBMPGPMFJLHNIM-CQSZACIVSA-N 324.425 -0.847 30 20 DBED CCN1CCN(S(=O)(=O)N(C)C[C@H](C)C#N)[C@H](C)C1=O 337150948 JKLVFCRGFNXWIA-GHMZBOCLSA-N 302.400 -0.125 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(OC)ncn2)C1=O 338936151 GPHJFKAHTVIELS-UHFFFAOYSA-N 319.277 -0.600 30 20 DBED N#Cc1ccc2c(c1)N(C(=O)C(=O)NC[C@H]1COCCO1)CC2 339780851 JUYSWBSQUJDTGQ-ZDUSSCGKSA-N 315.329 -0.021 30 20 DBED N#Cc1ncn(CCNC(=O)c2ccc(-n3cnnn3)cc2)n1 342890204 IAZJSQGGTPKPAJ-UHFFFAOYSA-N 309.293 -0.445 30 20 DBED CCS(=O)(=O)NCC(=O)NC[C@@H]1CCCN(CC#N)C1 343647928 VTPOIYOFKZHSRH-NSHDSACASA-N 302.400 -0.723 30 20 DBED C[C@H]1CN(CC(=O)N(CCC#N)CCC#N)C[C@H](C(N)=O)O1 347084360 AESABWYDLVWHHC-NWDGAFQWSA-N 307.354 -0.783 30 20 DBED COC(=O)[C@@H](CO)NC(=O)[C@H](C#N)Cc1ccc(C#N)cc1 350786430 ZNXHUNSDWYDNMJ-QWHCGFSZSA-N 301.302 -0.109 30 20 DBED C=C(C)CN(C)C(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 351550556 HNONCRCSJIZOSC-UHFFFAOYSA-N 314.367 -0.574 30 20 DBED COC[C@H](C)n1ccc(NC(=O)NCCn2cnc(C#N)n2)n1 351564252 SQAILOUNBDRDCR-JTQLQIEISA-N 318.341 0.375 30 20 DBED COCC[C@H](NS(=O)(=O)N(C)[C@@H](C)CC#N)C(=O)OC 352586052 LVNKHRSIUAEBJV-UWVGGRQHSA-N 307.372 -0.367 30 20 DBED CC[C@](C)(C#N)C(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 352983554 IOSUONNGFZNUMA-CZUORRHYSA-N 322.409 -0.024 30 20 DBED CN1CCN(CC(=O)NCC(=O)c2ccc(C#N)cc2)CC1=O 356221999 IXMJKYHCLDYZHI-UHFFFAOYSA-N 314.345 -0.369 30 20 DBED Cn1c(N2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)c(C#N)c(=O)n(C)c1=O 364992636 MXQKYYVWNUKELU-NGZCFLSTSA-N 317.349 -0.954 30 20 DBED C#CCCS(=O)(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1 367946831 CHKHZZGBORHMBL-LBPRGKRZSA-N 320.436 -0.161 30 20 DBED C=C(C)CS(=O)(=O)N1CCC[C@H]1C(=O)NCC(=O)OC 416664278 SLUWCHCFDWNUCE-JTQLQIEISA-N 304.368 -0.354 30 20 DBED COCCOCCN1CCN(C(=O)[C@H](N)CCCC#N)CC1 593919175 QXNZDQPUJPGXKK-CQSZACIVSA-N 312.414 -0.185 30 20 DBED N#Cc1cc(S(=O)(=O)N[C@@]2(C(N)=O)CCOC2)ccc1F 594492833 BOHKFMRXWABOBY-LBPRGKRZSA-N 313.310 -0.380 30 20 DBED CO[C@@H](CS(=O)(=O)NCC(=O)NCC#N)C1CCCC1 594779163 XYCWLAXRENTXNI-NSHDSACASA-N 303.384 -0.249 30 20 DBED CCS(=O)(=O)NCCS(=O)(=O)N1CCC[C@H](CC#N)C1 594800241 AJALAXANIMINSH-LLVKDONJSA-N 323.440 -0.119 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H]1C(=O)NCC1(C)C 595351741 NQVGMAHWAWCSEM-NXEZZACHSA-N 302.400 -0.173 30 20 DBED C[C@]1(CNC(=O)C(=O)N2CCN(CCC#N)CC2)CCOC1 602249097 RDRKUBNAUFZRCS-OAHLLOKOSA-N 308.382 -0.413 30 20 DBED CN(CC(=O)N1CCCC1)S(=O)(=O)N1CCO[C@@H](C#N)C1 619706490 UHOCZXLZBATINT-NSHDSACASA-N 316.383 -0.990 30 20 DBED N#C[C@H]1CN(S(=O)(=O)N(CC(N)=O)C2CCCC2)CCO1 619707630 SHRNJECKCHIMKZ-NSHDSACASA-N 316.383 -0.815 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCCN1CCC[C@@H](C(N)=O)C1 730284132 QCASHJAWLRPYQB-CABCVRRESA-N 320.437 -0.212 30 20 DBED C#CCNC(=O)CN1CCN(S(=O)(=O)C[C@H](C)CC)CC1 733316245 KUXYATNUZWSZCO-CYBMUJFWSA-N 315.439 -0.271 30 20 DBED N#CCN(CC(=O)O)C(=O)Cn1cnc2sccc2c1=O 739078340 FMEOZBSNGOBZTQ-UHFFFAOYSA-N 306.303 -0.105 30 20 DBED C#CCNC(=O)[C@@H](C)OC(=O)c1coc(S(N)(=O)=O)c1 757775788 MYRFERSSUOAFDI-SSDOTTSWSA-N 300.292 -0.778 30 20 DBED C#CCOCCOC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 762711548 DGIFYCVPDDUFRP-WFFHOREQSA-N 307.302 -0.658 30 20 DBED CCN(CCC#N)C(=O)COC(=O)CNS(=O)(=O)CC 767396667 ZDINQCNEWRRONN-UHFFFAOYSA-N 305.356 -0.769 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](C(=O)OC)C[C@H]1C(=O)OC 780137865 RFBMIJBXRQBOAE-NEPJUHHUSA-N 311.334 -0.021 30 20 DBED CNC(=O)[C@@H](C#N)C(=O)c1ccc(OC)c(-n2cnnn2)c1 781783467 WDIMCSSIXVQAIX-VIFPVBQESA-N 300.278 -0.261 30 20 DBED C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N[C@@H]1CNC(=O)C1 784867213 GILQPSCJUSRARC-ZJUUUORDSA-N 316.317 -0.079 30 20 DBED NS(=O)(=O)c1cc(C=NN2CC(=O)NC2=O)ccc1Cl 814778095 QBZLKNPEGLQLHS-UHFFFAOYSA-N 316.726 -0.127 30 20 DBED Cn1cnn(CCC(=O)OCC(=O)N[C@](C)(C#N)C2CC2)c1=O 815269114 QSIUFALGILIKET-CQSZACIVSA-N 321.337 -0.676 30 20 DBED C#Cc1cccc(CNC(=O)NCC(=O)N2CCNCC2)c1 841913034 GLPIGDHBUFYPFB-UHFFFAOYSA-N 300.362 -0.101 30 20 DBED C#C[C@H](NC(=O)C(=O)N1C[C@H]2[C@@H](N)CCC[C@H]2C1)[C@H]1CCCO1 842161774 COBCIAMCCSKHSQ-AIEDFZFUSA-N 319.405 -0.131 30 20 DBED C#CCCNS(=O)(=O)CCCCS(=O)(=O)NCCC#C 866785078 ORNADYVALNRVHO-UHFFFAOYSA-N 320.436 -0.348 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)CCS(=O)(=O)N(C)C 881810167 DOIJSLJXMLAUAD-SNVBAGLBSA-N 311.429 -0.311 30 20 DBED C=CCN(CC=C)C(=O)COC(=O)CN(C)S(C)(=O)=O 914923734 NYNSSDIMNPCMSM-UHFFFAOYSA-N 304.368 -0.378 30 20 DBED Cn1c(=O)c2nc(CN3CCC[C@H](C#N)C3)[nH]c2n(C)c1=O 932152546 KGTPPIYRWYCQIY-SECBINFHSA-N 302.338 -0.304 30 20 DBED CN(C(=O)[C@@H]1CNC(=O)N1)[C@H]1CCN(C(=O)C#CC2CC2)C1 937352238 GUHXZSKPRHAEHR-RYUDHWBXSA-N 304.350 -0.860 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H](C)OC)C1 938171794 LHCWFFBXEOWZRE-IHRRRGAJSA-N 307.394 -0.164 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](NC(=O)c2cn(C)c(O)n2)[C@H](C)C1 939899950 HRBJCZOZXRDKLH-OPRDCNLKSA-N 305.338 -0.138 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)CC(N)=O)C[C@H]2OC)C1 946631155 XFWMRZMNVPEVRQ-GHMZBOCLSA-N 309.366 -0.440 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CN2CCC(=O)NC2=O)C[C@H]1C 947900326 QNSBIWPRZNUFSI-CHWSQXEVSA-N 320.393 -0.079 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2[C@H]3C[C@H]2N(C(=O)c2cnn[nH]2)C3)c1 948008716 UEZFSIMXSXWYMF-IACUBPJLSA-N 322.328 -0.176 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)[C@@H]1CCCNC1=O)CCO2 949118319 OWUXTBDWUKQMFH-CQSZACIVSA-N 319.405 -0.161 30 20 DBED CN1CCO[C@@H](C(=O)NC[C@@H]2CCCN2C(=O)C#CC2CC2)C1 956005074 VVYMBFAVFIRIOC-LSDHHAIUSA-N 319.405 -0.162 30 20 DBED C#CCCN1C[C@@H](O)[C@H](CNC(=O)c2cccn(C)c2=O)C1 958599389 PKQBYXUHSMYQJP-TZMCWYRMSA-N 303.362 -0.569 30 20 DBED Cc1ncc(C(=O)N(C)[C@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)n1C 958935042 IKHYWHRFQQBPKK-XDTLVQLUSA-N 319.365 -0.468 30 20 DBED N#CCN1C[C@H]2[C@H](NC(=O)c3cnc4c(c3)NC(=O)CO4)[C@H]2C1 960821981 ADDHQJLTHUPJDR-IWIIMEHWSA-N 313.317 -0.404 30 20 DBED N#CCN1C[C@H]2[C@H](NC(=O)Cn3nnc4c3CCCC4)[C@H]2C1 961786820 HAAWSLLFGXVANO-HBYGRHMLSA-N 300.366 -0.273 30 20 DBED C#CCN1C[C@H]2C(NC(=O)c3c(C)c[nH]c3CC(N)=O)[C@@H]2C1 961841915 XAQOWSKTXKVNNH-GHMZBOCLSA-N 300.362 -0.356 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CN(C(=O)c3cc[nH]c3)C[C@@H]2O)c1 962160486 MMKSWKREEKHUQI-OLZOCXBDSA-N 313.317 -0.170 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 962328218 CZWXISPSRKULHD-FXAINCCUSA-N 301.306 -0.652 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)c1cncnc1O 964242268 SCTZCHFILWTWQL-ZJUUUORDSA-N 319.321 -0.701 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CN(C(=O)c3cnn[nH]3)CCO2)C1 965421315 IHNIXKDHUZJAHV-SECBINFHSA-N 304.310 -0.982 30 20 DBED O=C1N[C@H](C(=O)N2C[C@@H]3CC[C@H](C2)N3C(=O)C#CC2CC2)CO1 968991226 GXNQQEABUKUIOU-XQQFMLRXSA-N 317.345 -0.290 30 20 DBED Cc1nc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)cs1 969936966 ADHXTTJAAOQYCR-NMLBEHRDSA-N 308.363 -0.087 30 20 DBED C#CCN1CC([C@H](C)NC(=O)c2ccc(=O)n(CCOC)n2)C1 970104071 GYAFNEPMTCUGQM-LBPRGKRZSA-N 318.377 -0.427 30 20 DBED C#CCCN1CC([C@H](C)NC(=O)c2cn(C)c(=O)nc2O)C1 970866220 WKQOAIAHJAORIY-JTQLQIEISA-N 304.350 -0.441 30 20 DBED N#CCN1C[C@H]2CC[C@H]1CN2C(=O)c1coc(S(N)(=O)=O)c1 971532804 SLFPABOZZMFSIQ-WDEREUQCSA-N 324.362 -0.261 30 20 DBED CN(CC#N)[C@@H]1CCN(C(=O)c2cn(C[C@@H]3CCOC3)nn2)C1 972637074 FLDDMECQSIFBIT-QWHCGFSZSA-N 318.381 -0.016 30 20 DBED C#CCN1C[C@H]2C(CNC(=O)c3cc(=O)c(OC)c[nH]3)[C@@H]2C1 978474310 XVQQZHUKMSYGNA-RYUDHWBXSA-N 301.346 -0.076 30 20 DBED C=CCN[C@H]1CCC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C1 981541819 NKIKBJKUCPOESD-WDEREUQCSA-N 306.370 -0.420 30 20 DBED N#CCN1CCCN(C(=O)C2CC3(C2)NC(=O)NC3=O)CC1 982173029 YVCDJZOITDQPJJ-UHFFFAOYSA-N 305.338 -0.968 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2CCN(C(=O)COC)C2)nn1 982353097 MNWKSLWOUYWBMV-LLVKDONJSA-N 307.354 -0.311 30 20 DBED O=C(N[C@H]1CCN(C(=O)C#CC2CC2)C[C@H]1O)c1cocn1 991325118 BFAVCUGDFMPHBG-WCQYABFASA-N 303.318 -0.220 30 20 DBED N#CCN1CC[C@]2(NC(=O)Cn3ccc(O)nc3=O)CCC[C@H]12 991660428 YUHRRBQSBQMZST-XHDPSFHLSA-N 317.349 -0.414 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)C[C@H]2CCS(=O)(=O)C2)C1 995060462 INLMWMLBCUEZNA-VHSXEESVSA-N 313.379 -0.702 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](NCc2nc(=O)n(C)[nH]2)C(C)(C)C1 995562706 OHMUPUOBKKBZRO-UWVGGRQHSA-N 306.370 -0.405 30 20 DBED C#Cc1cncc(C(=O)NC2CN(C(=O)Cn3cccn3)C2)c1 999305001 SVTUPPGBGHKHAK-UHFFFAOYSA-N 309.329 -0.100 30 20 DBED C[C@@H](C#N)C(=O)N1CC(CNC(=O)[C@@H]2CCCCN(C)C2=O)C1 1003313528 CYJZGMAUVRCTGF-AAEUAGOBSA-N 320.393 -0.021 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CC[C@H]1CN2C(=O)Cn1nccn1 1007338833 NBQSPOPUTWPLRC-UTUOFQBUSA-N 302.338 -0.360 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCCN(C(=O)c3nnn(C)n3)C2)C1 1010835065 FVVZJGIYYQALKX-JTQLQIEISA-N 317.353 -0.566 30 20 DBED CN1CCO[C@@H](C(=O)N2CCN(C(=O)C#CC3CC3)CC2)C1 1010876660 KXKFMJYWCZPSPS-CQSZACIVSA-N 305.378 -0.599 30 20 DBED Cc1cccn(CC(=O)N2CCN(C(=O)[C@H](C)C#N)CC2)c1=O 1011136071 KKZOQQKGYWPRGK-CYBMUJFWSA-N 316.361 -0.013 30 20 DBED C#CCCN1CC[C@@H](NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 1014422753 FKKABHMCESLYHU-CHWSQXEVSA-N 315.377 -0.024 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@]3(NC(=O)C(N)=O)CCC[C@H]23)[nH]1 1014446925 SFKQZNXTULUWIB-XHDPSFHLSA-N 315.333 -0.375 30 20 DBED C[C@H]1CN(C(=O)C(N)=O)C[C@]2(CCN(C(=O)C#CC3CC3)C2)O1 1017847220 IOTMDURZXCCGOL-MEDUHNTESA-N 319.361 -0.897 30 20 DBED C[C@H]1CC[C@H](NC(=O)C(N)=O)CN1C(=O)c1c[nH]c(C#N)c1 1018373061 RSHINGPUVUZTOQ-WPRPVWTQSA-N 303.322 -0.519 30 20 DBED Cc1nn(CC(=O)NC2C[C@@H]3CC[C@H](C2)N3CC#N)c(=O)n1C 1021448217 NKLHZOMCVRDBTI-YHWZYXNKSA-N 318.381 -0.475 30 20 DBED C#CCN[C@@H]1CC[C@@H]2CN(C(=O)CN3CCOCC3=O)C[C@H]21 1026284523 BXUQBLDWIJTYLF-MGPQQGTHSA-N 305.378 -0.695 30 20 DBED N#CCN[C@@H]1CC[C@@H]2CN(C(=O)CN3CCOCC3=O)C[C@H]21 1026285612 PPMIUGIPIKBEOA-JHJVBQTASA-N 306.366 -0.805 30 20 DBED C=CCN1[C@H]2CC[C@H]1CN(C(=O)c1cc(=O)n3[nH]cnc3n1)C2 1029552270 YGXWMXWYSYICBC-QWRGUYRKSA-N 314.349 -0.108 30 20 DBED C#Cc1cncc(C(=O)NCC2CN(CC(=O)N(C)C)C2)c1 1031963883 XFDYEXMIUCMZME-UHFFFAOYSA-N 300.362 -0.187 30 20 DBED C#CCOc1ccc(C(=O)NCC2CN(CC(N)=O)C2)cc1 1032032397 BIWBSOOVNOQFDB-UHFFFAOYSA-N 301.346 -0.155 30 20 DBED C#CCCN1CCO[C@H](CNC(=O)[C@@H]2COCCN2CC)C1 1035423003 KJLDCBAOLOKWSC-CABCVRRESA-N 309.410 -0.453 30 20 DBED C=CCn1cc(C(=O)N2CCC3(CC2)CN(CC(N)=O)C3)nn1 1035812480 OXZIVYLFQGQSMM-UHFFFAOYSA-N 318.381 -0.513 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)CC3CS(=O)(=O)C3)CC[C@@H]21 1036752824 GSNHLBATXXZKQA-KGLIPLIRSA-N 310.419 -0.023 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2[C@H]3C[C@H]2N(CCn2cncn2)C3)c[nH]1 1037370361 FOISDNXPNPLJFT-IACUBPJLSA-N 311.349 -0.019 30 20 DBED C=CCCN1C[C@H]2C[C@H]1[C@H]2NC(=O)CN1C(=O)C(=O)N(C)C1=O 1037599639 LWSYOJHTWJXFDW-SCVCMEIPSA-N 320.349 -0.828 30 20 DBED C#CCN[C@@H]1CCN(C(=O)c2cnc(O)n(C)c2=O)C[C@H]1CC 1037904841 LQRHHMQHAANABL-DGCLKSJQSA-N 318.377 -0.051 30 20 DBED CC[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)CC[C@@H]1NCC#N 1037940629 MNAZJDWXQLYQBU-MNOVXSKESA-N 307.354 -0.722 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC[C@@](O)(CNC(=O)c2ncc[nH]2)C1 1039659618 DHABLNILFNPDCM-LSDHHAIUSA-N 322.365 -0.570 30 20 DBED C#CCCCC(=O)N1CC[C@@](O)(CNC(=O)c2nonc2C)C1 1040221805 ZHWYWFFSZAXWJB-OAHLLOKOSA-N 320.349 -0.125 30 20 DBED CCN(CC)CC(=O)N1CC[C@@](O)(CNC(=O)[C@@H](C)C#N)C1 1040760053 LWHTWYIDHSZPEF-SWLSCSKDSA-N 310.398 -0.433 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)c3ccnnc3)C2)nc1 1041357777 NWOBZCSGIVSXPO-CHWSQXEVSA-N 310.317 -0.277 30 20 DBED C#CCN1CC[C@@]2(CCN(C(=O)c3cn(C)c(=O)cn3)C2)C1 1041485362 GTHBIPGNMUYFCX-MRXNPFEDSA-N 300.362 -0.049 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCCN2C(C)=O)C1 1041956349 HFUKUTJRRAYNMY-ZDUSSCGKSA-N 323.393 -0.347 30 20 DBED C#CCNC(=O)CC(=O)NCC1(O)CN(C(=O)CC(C)(C)C)C1 1042672714 XIHWGDUNRJVOSC-UHFFFAOYSA-N 323.393 -0.748 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(O)CN(C(=O)C[C@@H](C)OC)C1 1042806943 MYGWLMLFGXDPLU-BXUZGUMPSA-N 314.382 -0.572 30 20 DBED C=CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)c2nc(C)c[nH]2)C1 1043226732 YQLJDCYNTCBQKM-LLVKDONJSA-N 322.365 -0.388 30 20 DBED CN(C(=O)[C@@H]1CNC(=O)N1)C1CN(CC#Cc2ccccc2)C1 1043707604 DDIMTOXZVLYBCL-HNNXBMFYSA-N 312.373 -0.138 30 20 DBED C=CCCn1cc(C(=O)N(C)C2CN(CC(=O)NC)C2)nn1 1044026392 CKFPSCBOGDZGLT-UHFFFAOYSA-N 306.370 -0.644 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)[C@@H](C)n2cncn2)C1 1044456068 PLCIJUREONRAHT-LLVKDONJSA-N 321.381 -0.259 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)CC(=O)N(C)C)C1 1044478792 LQNRJYUOVSVRDW-UHFFFAOYSA-N 311.382 -0.634 30 20 DBED Cc1cc(CC(=O)N2CC(O)(CNC(=O)[C@H](C)C#N)C2)n[nH]1 1045541086 QLMNOICXJRPEOW-SECBINFHSA-N 305.338 -0.890 30 20 DBED CN(C(=O)[C@@H]1Cc2ccncc2C1)[C@H]1CN(CC#N)C[C@@H]1O 1047529162 SOINZONQYMPBGU-SNPRPXQTSA-N 300.362 -0.177 30 20 DBED CN(C(=O)[C@@H]1C[C@H]1c1cncn1C)[C@H]1CN(CC#N)C[C@@H]1O 1047533105 XEXCAWTYYXMHTA-RFHZTLPTSA-N 303.366 -0.449 30 20 DBED C=CCCN1C[C@H](O)[C@@H](N(C)C(=O)C2CCN(C(N)=O)CC2)C1 1047621700 XUBBEOMUJNKBDG-KBPBESRZSA-N 324.425 -0.143 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCOC)C1 1047997155 BUJBQRYWVXIIJD-AVGNSLFASA-N 312.366 -0.909 30 20 DBED CN(C(=O)C#CC1CC1)[C@H]1CN(C(=O)Cc2cnc[nH]2)C[C@@H]1O 1048824788 KRCOKVVVFWHHKT-KBPBESRZSA-N 316.361 -0.604 30 20 DBED CC#CCN1C[C@H]2CN(C(=O)CCn3ncn(C)c3=O)C[C@H]2C1 1048958704 VULRKLJNKSYDQF-OKILXGFUSA-N 317.393 -0.615 30 20 DBED C=CC(C)(C)C(=O)N(C)[C@H]1CN(C(=O)c2nnn(C)n2)C[C@@H]1O 1049180418 GGBZVSYWYVVSEN-UWVGGRQHSA-N 322.369 -0.934 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H]2[C@@H]1CCN2Cc1nnnn1C 1049382878 PIMUVWRFXORDDM-WOPDTQHZSA-N 303.370 -0.065 30 20 DBED CC#CCN1CCN([C@@H]2CCN(C(=O)c3ncn(C)n3)C2)CC1 1052021816 GDECQWPFHDALRJ-CQSZACIVSA-N 316.409 -0.330 30 20 DBED CC(C)C#CC(=O)N1C[C@H](CNC(=O)CCNC(N)=O)[C@@H](C)C1 1052549592 VSKWBDOFMDKOEW-STQMWFEESA-N 322.409 -0.085 30 20 DBED C#CCN1CCC[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)CC1 1052900071 DLAVTQUCFUFVKV-CYBMUJFWSA-N 305.382 -0.506 30 20 DBED C#CCN1CCC[C@H](NC(=O)c2cn(C)c(=O)nc2O)CC1 1052929159 JSZIBIZDPOXPBH-NSHDSACASA-N 304.350 -0.297 30 20 DBED C#Cc1ccc(C(=O)N2C[C@H](CNC(=O)C(N)=O)[C@@H](C)C2)cc1 1053121151 OGKRPKAOHLTOGO-FZMZJTMJSA-N 313.357 -0.023 30 20 DBED CNC(=O)CN1CC2(C1)CN(C(=O)c1ccc(C#N)[nH]1)CCO2 1053223696 DUVOHDBWXYCMQQ-UHFFFAOYSA-N 317.349 -0.841 30 20 DBED CN1CCOC[C@@H]1C(=O)NC[C@@H]1CCC2(CN(CC#N)C2)O1 1053591683 AULFDPPOFQUVPF-QWHCGFSZSA-N 308.382 -0.810 30 20 DBED C#CCCN1CC2(CC[C@@H](CNC(=O)c3cnnn3C)O2)C1 1053597908 KWFZNRHFEUVNKL-LBPRGKRZSA-N 303.366 -0.198 30 20 DBED Cn1nc(C(=O)NC[C@@H]2CCC3(CN(CC#N)C3)O2)ccc1=O 1053696175 BQGWSMFZAITDCV-NSHDSACASA-N 317.349 -0.733 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@](CO)(NC(=O)c2n[nH]cc2F)C1 1056106425 KWRWKJQOJTUVNV-YMTOWFKASA-N 323.328 -0.208 30 20 DBED CN1CCC[C@@H]1C(=O)NC1[C@@H]2CN(c3cncc(C#N)n3)C[C@@H]12 1056149711 NNLOEPKVODZCPY-JHJVBQTASA-N 312.377 -0.007 30 20 DBED N#Cc1ccc(N2C[C@H]3[C@H](NC(=O)[C@H]4C[C@H]4C(N)=O)[C@H]3C2)nc1 1056407073 KXQIOSLIMUTYSR-MOWSAHLDSA-N 311.345 -0.375 30 20 DBED C=CCCOCC(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)C(N)=O 1056537123 GWSQGWPZAIAXHM-NWDGAFQWSA-N 309.366 -0.344 30 20 DBED C=C[C@H](CC)CC(=O)NCCN(CCO)C(=O)CNC(C)=O 1056817169 HJNPPMMHWMIKHN-CYBMUJFWSA-N 313.398 -0.338 30 20 DBED CN(c1ccncc1C#N)[C@@H]1CCN(C(=O)Cn2ncnn2)C1 1056968082 QVFPQOITJIMDOT-GFCCVEGCSA-N 312.337 -0.323 30 20 DBED CN(c1cncc(C#N)n1)[C@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 1056997480 CETCOAWRFGWFIH-NWDGAFQWSA-N 314.349 -0.479 30 20 DBED Cn1nncc1C(=O)N1CCCN(c2ccc(C#N)nn2)CC1 1057136769 AHGSSFCIRJIBQK-UHFFFAOYSA-N 312.337 -0.171 30 20 DBED N#Cc1nccnc1NC1CCN(C(=O)[C@H]2CNC(=O)N2)CC1 1057408858 HIMXOYOMYBPXBW-LLVKDONJSA-N 315.337 -0.567 30 20 DBED Cn1nccc1CC(=O)NCCN(CCO)C(=O)C#CC1CC1 1057531549 TYHVMLIEHMACGW-UHFFFAOYSA-N 318.377 -0.687 30 20 DBED C=CCO[C@H](C)C(=O)N(CCO)CCNC(=O)c1ncccn1 1057921455 HZKYSYCJXNWDDR-GFCCVEGCSA-N 322.365 -0.382 30 20 DBED CCc1nc(C#N)cc(N2CCC[C@@H](NC(=O)C(N)=O)C2)n1 1058229999 JQPBPEPMUGGODW-SECBINFHSA-N 302.338 -0.519 30 20 DBED N#Cc1cncc(N2CC[C@H](NC(=O)CN3CCOCC3)C2)n1 1058324607 OMJINUICIKBVLB-LBPRGKRZSA-N 316.365 -0.625 30 20 DBED N#Cc1nccnc1N1CC[C@@H](NC(=O)[C@@H]2CCNC(=O)C2)C1 1058336452 WVIGHZXCRBMQOJ-GHMZBOCLSA-N 314.349 -0.431 30 20 DBED C#CCCCCCC(=O)NCCN(CCO)C(=O)c1nc[nH]n1 1058388425 DTINSEGCCTYNLZ-UHFFFAOYSA-N 321.381 -0.061 30 20 DBED C#CCNC(=O)CC(=O)N1CCOC[C@@H]1CNC(=O)C=C(C)C 1061247889 KTUNSSADNUCMQC-ZDUSSCGKSA-N 321.377 -0.564 30 20 DBED C#CCOCCC(=O)N1CCOC[C@H]1CNC(=O)c1cc[nH]n1 1061332000 QMAHAQHPNIYBEI-GFCCVEGCSA-N 320.349 -0.593 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCOC[C@H]1CNC(=O)c1cnn[nH]1 1061696696 AUTZXXJBQMHVBW-WDEREUQCSA-N 323.353 -0.647 30 20 DBED C#CCOCCC(=O)NCC1(NC(=O)c2cnn[nH]2)CCC1 1063043004 HDTSMEQNFMAIOY-UHFFFAOYSA-N 305.338 -0.387 30 20 DBED C=CCO[C@@H](C)C(=O)NCC1(NC(=O)[C@H]2CCNC2=O)CCC1 1063429202 XNFZBVBEAORRCA-RYUDHWBXSA-N 323.393 -0.131 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)c2ccc(=O)n(C)n2)CCC1 1064305615 UZBWJSBMZFTIKR-JTQLQIEISA-N 317.349 -0.291 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CN(C(=O)C2=CCOCC2)CCO1 1065075854 QRXOQEKDAMCGRU-AAEUAGOBSA-N 307.350 -0.164 30 20 DBED Cc1nc(CC(=O)N2CCO[C@H](CNC(=O)[C@H](C)C#N)C2)n[nH]1 1065138407 OFXJSINNCYURJW-MWLCHTKSSA-N 320.353 -0.841 30 20 DBED C[C@@]1(NC(=O)[C@H]2CCNC2=O)CCN(c2nccnc2C#N)C1 1065312120 FGVPMWCWYYMPEB-ZUZCIYMTSA-N 314.349 -0.431 30 20 DBED N#Cc1nccnc1N1C[C@H]2CN(C(=O)CC(N)=O)C[C@H]2C1 1065979360 IEYLYPRSVBPGJB-AOOOYVTPSA-N 300.322 -0.882 30 20 DBED N#Cc1nccc(N2C[C@@H]3CCCN(C(=O)CC(N)=O)[C@@H]3C2)n1 1066226967 TWRRLPOLFYUDGW-WDEREUQCSA-N 314.349 -0.349 30 20 DBED N#Cc1ccc(NC[C@@H]2CN(C(=O)CC(N)=O)CCO2)cn1 1066607377 NGIANHHANMALOM-GFCCVEGCSA-N 303.322 -0.532 30 20 DBED N#Cc1ccc(N2C[C@H](CNC(=O)c3cc[nH]n3)[C@@H](O)C2)nc1 1067651574 NPLMOILKQNPNMF-AAEUAGOBSA-N 312.333 -0.097 30 20 DBED C[C@H]1C[C@@H](CN=c2cc[nH]c(C#N)n2)CN1C(=O)CC(N)=O 1068303816 UHQSIWSMIOLDOF-UWVGGRQHSA-N 302.338 -0.706 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H]1CCC2(CN(C(=O)CC)C2)O1 1068560785 YYCYWMXJTKRYES-GFCCVEGCSA-N 321.377 -0.588 30 20 DBED C=C1CC(C)(C(=O)N2CC3(C[C@@H](NC(=O)CC(N)=O)CO3)C2)C1 1068784607 SSCAAQQJNKXKHF-LLVKDONJSA-N 321.377 -0.296 30 20 DBED C=C[C@H](CC)CC(=O)N[C@H]1COC2(C1)CN(C(=O)CC(N)=O)C2 1068975734 MUQSPFGYZXPFAE-VXGBXAGGSA-N 323.393 -0.050 30 20 DBED C[C@@H]1C[C@@H](Nc2cncc(C#N)n2)CN1C(=O)Cn1ncnn1 1069153467 ZWBLYWYDEPKUHU-NXEZZACHSA-N 313.325 -0.564 30 20 DBED Cc1[nH]nc(C(=O)NCc2cnn3c2CN(CC#N)CC3)c1O 1069857697 GVHBHNXMKUWORU-UHFFFAOYSA-N 315.337 -0.111 30 20 DBED CCn1nncc1C(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1 1069920485 PKFYEVHYEHRMHB-PWSUYJOCSA-N 315.341 -0.932 30 20 DBED C=CCOCC(=O)N1CCC[C@@H](NC(=O)Cc2nc[nH]n2)C1 1070552262 JKLLYNVMEGFYGD-LLVKDONJSA-N 307.354 -0.343 30 20 DBED C#CCOCCC(=O)N1CCC[C@@H](NC(=O)[C@@H]2COC(=O)N2)C1 1070728115 HKUONTKPDXQUTI-NEPJUHHUSA-N 323.349 -0.758 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)Cc4ccn(C)n4)C[C@@]3(C1)O2 1070799544 DDPTZPIGOMFMDM-FRFSOERESA-N 314.389 -0.103 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2CCC2)C1 1071935334 AENDGNZPXBAING-YPMHNXCESA-N 305.378 -0.111 30 20 DBED C=C1CC(C)(C(=O)N2C[C@H](C)[C@@H](NC(=O)CNC(N)=O)C2)C1 1072698408 LWNYVPQKGMWQIW-QWRGUYRKSA-N 308.382 -0.026 30 20 DBED COCCC(=O)N1CC(N2CCN(C(=O)[C@H](C)C#N)CC2)C1 1073596904 LJBJYALIFAJKDL-GFCCVEGCSA-N 308.382 -0.462 30 20 DBED C#CCCN1C[C@@H]2CCN(C(=O)Cn3c(O)nnc3O)[C@@H]2C1 1076499903 QTLMIFMLBXBETO-WDEREUQCSA-N 305.338 -0.755 30 20 DBED C[C@@H](CCNC(=O)CCS(C)(=O)=O)NC(=O)[C@H](C)C#N 1077263524 CPSSABJKLGWANS-ZJUUUORDSA-N 303.384 -0.408 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)c2ccc(N(C)C)nn2)C1 1078020173 BTZSBFMSJSZQBV-CHWSQXEVSA-N 305.382 -0.106 30 20 DBED C=CCOCC(=O)N(CC)C1CN(C(=O)CNC(=O)C2CC2)C1 1079490422 OCNFRQRFPYTKKO-UHFFFAOYSA-N 323.393 -0.226 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)CNC(=O)NC)C1 1079919891 DJPZWFKUZAMVFW-NSHDSACASA-N 324.381 -0.987 30 20 DBED O=C(C#CC1CC1)NC1(CO)CCN(C(=O)c2ncc[nH]2)CC1 1080854600 XAQXGLXZHIVQEF-UHFFFAOYSA-N 316.361 -0.094 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](CNC(=O)Cn2nccn2)[C@@H](O)C1 1081520536 REYHACIOGYONIG-RYUDHWBXSA-N 321.381 -0.574 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2CN([C@@H](C)C(N)=O)C[C@H]2OC)c1 1082117301 WXYURAYHLUJXMB-ZLKJLUDKSA-N 316.361 -0.634 30 20 DBED C=CCCN1C[C@@H](NC(=O)Cn2nc(C)ccc2=O)[C@H](OC)C1 1082336927 QHAHCZQHKNOPOA-ZIAGYGMSSA-N 320.393 -0.057 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CCc2nccn2C1 1083125375 PTVJCUBFSICCRB-MELADBBJSA-N 315.377 -0.119 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H](OC)c1cnn(C)c1 1083154123 GHOZTXIPKMSRBV-ZNMIVQPWSA-N 318.377 -0.348 30 20 DBED C=C(C)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CCN(C)C1=O 1083167397 NRDSQFUWNFWYEB-MELADBBJSA-N 307.394 -0.048 30 20 DBED C#CCN1CC[C@H](NC(=O)[C@H]2CC(=O)N(CCOC)C2)[C@H]1C 1088601971 RSQQQWAXSOACNE-RDBSUJKOSA-N 307.394 -0.307 30 20 DBED N#Cc1cnccc1N1CCCO[C@H](CNC(=O)CC(N)=O)C1 1089533130 YJGUNFXPLBKLPA-GFCCVEGCSA-N 317.349 -0.460 30 20 DBED CCN(c1ccnc(C#N)n1)[C@H](C)CNC(=O)c1nnn(C)n1 1089724027 KJVYSGNXSRXQJD-SECBINFHSA-N 315.341 -0.483 30 20 DBED N#CCN1CC[C@H](NC(=O)c2ccc3nn[nH]c3n2)[C@@H](O)C1 1090310071 KEPZYCUKEZQNGR-KWQFWETISA-N 301.310 -0.959 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cc3c([nH]2)CCOC3)[C@@H](O)C1 1090317207 XMFQBMGLQXKDSS-ZFWWWQNUSA-N 303.362 -0.114 30 20 DBED CN(C)CCC(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@H]1O 1090525362 ONPYLIMUXLFKOJ-CHWSQXEVSA-N 303.366 -0.429 30 20 DBED C[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1NC(=O)CCCC(N)=O 1090729424 JEAYYORGQDPWFE-ZYHUDNBSSA-N 316.365 -0.055 30 20 DBED N#Cc1nccnc1N[C@H]1C[C@@H](CNC(=O)Cn2cncn2)C1 1091344972 OMPQAVZZCVTQMG-PHIMTYICSA-N 312.337 -0.053 30 20 DBED C#CCN1C[C@@H](C)[C@H](CNC(=O)[C@H]2CCc3nnc(O)n3C2)C1 1092742722 BETSGFPTUMXEMN-FRRDWIJNSA-N 317.393 -0.137 30 20 DBED CC(=O)NCC(=O)NC1[C@@H]2CN(c3ccc(C#N)c(C)n3)C[C@@H]12 1093215647 PEIGNHRXQWEBCI-CHWSQXEVSA-N 313.361 -0.051 30 20 DBED N#Cc1nc(=NCCNC(=O)c2cc(C(N)=O)ccn2)cc[nH]1 1093717655 PGBOUDRBLNXZLT-UHFFFAOYSA-N 311.305 -0.894 30 20 DBED CC(C)CS(=O)(=O)CC(=O)NCCN=c1cc[nH]cc1C#N 1094239119 IDOAXGJAONUTCQ-UHFFFAOYSA-N 324.406 -0.026 30 20 DBED C=CCCN1CC(N2C[C@H](NC(=O)Cc3cc[nH]n3)CC2=O)C1 1094718018 SJMMUJDJRPYPPS-CYBMUJFWSA-N 317.393 -0.070 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)Cc3[nH]cnc3C)CC2=O)C1 1094811765 RAXJPXFEQUDCIK-GFCCVEGCSA-N 315.377 -0.705 30 20 DBED C=C(C)CN1CC(N2C[C@@H](NC(=O)[C@@H]3CCN(C)C3)CC2=O)C1 1094815647 ZDDUZVAVQWETOK-KGLIPLIRSA-N 320.437 -0.085 30 20 DBED C#CCN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1ccc(O)nc1=O)C2 1094957684 DFYZXPTYBONAHT-XQQFMLRXSA-N 316.361 -0.449 30 20 DBED CNC(=O)CC(=O)N1CC[C@H](N(C)c2cnc(C#N)cn2)C1 1095113437 QUOLXFGJUARQFB-NSHDSACASA-N 302.338 -0.479 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H]1C[C@H](Nc2ccc3nnnn3n2)C1 1097068844 JSQVPMMKEOKIAB-GMTAPVOTSA-N 315.337 -0.383 30 20 DBED C[C@H](NC(N)=O)C(=O)N[C@H]1C[C@@H](Nc2cnc(C#N)cn2)C1 1097175039 BUAYXRTYZSBFEW-XHNCKOQMSA-N 303.326 -0.536 30 20 DBED COc1c(C(=O)NC[C@H](C)N=c2cc[nH]c(C#N)n2)cnn1C 1097981053 ALZBKTVZVRRFCX-VIFPVBQESA-N 315.337 -0.257 30 20 DBED Cc1cc(C#N)nc(N[C@H](C)CNC(=O)c2nnn(C)n2)n1 1098200591 ZTPJIBYSENCAMF-MRVPVSSYSA-N 301.314 -0.589 30 20 DBED C=CCN(CCO)C1CCN(C(=O)CN2CCCNC2=O)CC1 1098418735 DQUWMJIUVCAZIE-UHFFFAOYSA-N 324.425 -0.127 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CCCn2ccnn2)[C@H](O)C1 1099869629 SCXWHGBHDFRCKZ-ZIAGYGMSSA-N 305.382 -0.367 30 20 DBED C#CCN1CC[C@@H](NC(=O)COCc2nccn2C)[C@@H](O)C1 1099887735 JZUNBWHIXXFFCE-OLZOCXBDSA-N 306.366 -0.879 30 20 DBED C=CCCCN1CC[C@H](NC(=O)c2c[nH]c(=O)cn2)[C@@H](O)C1 1099970460 YAUOWWVBUXNRSN-AAEUAGOBSA-N 306.366 -0.099 30 20 DBED Cc1cc(C#N)nc(N(C)CCNC(=O)c2nccnc2N)n1 1099986028 QSHITBASOBSRHM-UHFFFAOYSA-N 312.337 -0.105 30 20 DBED CCN1CCOC[C@H]1C(=O)NCCN(C)c1cncc(C#N)n1 1100219624 GXCDCYUKVGJOOQ-ZDUSSCGKSA-N 318.381 -0.379 30 20 DBED COC[C@]1(C(=O)NCCN(C)c2nccnc2C#N)CCOC1 1100238773 RKNPFPVDNWHMQG-OAHLLOKOSA-N 319.365 -0.046 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)[C@@H]2CCCCO2)C1 1100244879 ILGWVNZUZSCSOH-RUXDESIVSA-N 307.394 -0.211 30 20 DBED C=CCNC(=O)[C@@H](C)NC1CC(CNC(=O)CC(=O)NCC)C1 1100264738 AYDIHTZKNNKCGZ-PNESKVBLSA-N 324.425 -0.312 30 20 DBED CN(CCNC(=O)c1ccn(C)c(=O)c1)c1cnc(C#N)cn1 1100399968 NNELBNHYNXMFOI-UHFFFAOYSA-N 312.333 -0.087 30 20 DBED CCN(CCNC(=O)CNC(=O)OC)c1ccc(C#N)nn1 1100451290 DRPQBKATKZFVIH-UHFFFAOYSA-N 306.326 -0.353 30 20 DBED C#CCNC1CC(CNC(=O)[C@@H](CCC)S(N)(=O)=O)C1 1100536226 PUKWFHDCOJHFSN-HTAVTVPLSA-N 301.412 -0.439 30 20 DBED N#Cc1cnc(N2CCC[C@H]2CNC(=O)Cn2cncn2)cn1 1100833537 VBTRNCGBYWOVOY-LBPRGKRZSA-N 312.337 -0.275 30 20 DBED CCCN(CCNC(=O)C1(C(N)=O)CC1)c1cnc(C#N)cn1 1101229873 HZOIKYXNUYIXHK-UHFFFAOYSA-N 316.365 -0.054 30 20 DBED COC(=O)NCC(=O)NCCN(c1cncc(C#N)n1)C1CC1 1101294738 AENPAZARUXLDCR-UHFFFAOYSA-N 318.337 -0.211 30 20 DBED CC(=O)N1CC(C(=O)N(C)CCNc2cnc(C#N)cn2)C1 1101563177 SLROCLDBHIZYNS-UHFFFAOYSA-N 302.338 -0.303 30 20 DBED CN(CCN=c1cc[nH]cc1C#N)C(=O)C[C@@H]1CCC(=O)N1 1101677990 AAVCFISJTKWGOM-LBPRGKRZSA-N 301.350 -0.086 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)c2n[nH]cc2C)C1 1101943379 SFRPFZUYQJEYHV-CHWSQXEVSA-N 317.393 -0.235 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(C#N)nc1 1102547781 OLIPNLWDEMDWGU-GJZGRUSLSA-N 323.356 -0.118 30 20 DBED C#CCNC(=O)[C@@H](C)NCC[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1C 1104022404 QOADCDFEJPXDGU-JHJVBQTASA-N 322.409 -0.926 30 20 DBED C#CCNC(=O)CNCC[C@@H]1CN(C(=O)[C@H](O)C(C)C)C[C@H]1C 1104147149 LDIYGBHNSBTDFM-IIAWOOMASA-N 323.437 -0.173 30 20 DBED COCCC(=O)NC[C@@H]1CN(c2nccnc2C#N)CCO1 1104284962 SDIFSZHQOUSPJH-LLVKDONJSA-N 305.338 -0.294 30 20 DBED CC(C)(O)CC(=O)NC[C@H]1CN(c2cnc(C#N)cn2)CCO1 1104308697 SELHYQICNXSJHA-LBPRGKRZSA-N 319.365 -0.169 30 20 DBED C[C@@H](CN=c1cc[nH]cc1C#N)N(C)C(=O)[C@H]1COC(=O)N1 1104546201 ZLRRUOWSSNOTLL-JOYOIKCWSA-N 303.322 -0.258 30 20 DBED C[C@@H](CC(=O)N(C)CCN(C)c1cncc(C#N)n1)NC(N)=O 1105473372 WKEGYMYSLIZMPP-JTQLQIEISA-N 319.369 -0.310 30 20 DBED Cc1cc(C#N)nc(NC[C@H](O)CNC(=O)[C@H]2CCCOC2)n1 1105743220 YIXBTKQJBTYDMP-WCQYABFASA-N 319.365 -0.028 30 20 DBED Cc1cc(C(=O)NC[C@H](O)CNc2ccc(C#N)nn2)cnn1 1105813808 RWLNBNBBQNUZPW-GFCCVEGCSA-N 313.321 -0.351 30 20 DBED CCCN(C)CC(=O)NC[C@@H](O)CNc1cncc(C#N)n1 1105910523 WQYULPMXUNQQRS-LBPRGKRZSA-N 306.370 -0.421 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](O)CNC(=O)c2ccnnc2)n1 1106113302 AJZWBOQUGWDVRT-LBPRGKRZSA-N 313.321 -0.351 30 20 DBED CNC(=O)NCC(=O)NC[C@@H](O)CNc1ccc(C#N)c(C)n1 1106147841 ZABAYYNKSIZURH-NSHDSACASA-N 320.353 -0.920 30 20 DBED C[C@@H](CCNc1ccc(C#N)nn1)NC(=O)C1(C(N)=O)CC1 1106549778 HEKRQWDLYXFOQS-VIFPVBQESA-N 302.338 -0.080 30 20 DBED CCS(=O)(=O)CC(=O)NC/C=C\CNc1nccnc1C#N 1107222642 QAKRHAJSGMKEOK-ARJAWSKDSA-N 323.378 -0.133 30 20 DBED N#Cc1c[nH]ccc1=NC/C=C\CNC(=O)C[C@@H]1CCNC1=O 1107375275 PGWGMGWLRRJZKZ-BIOMNHJASA-N 313.361 -0.014 30 20 DBED C[C@@H](C#N)C(=O)NC[C@]1(C)CN(Cc2cn(C)nn2)CCO1 1107821446 PASKUJQNBZHKBW-SMDDNHRTSA-N 306.370 -0.318 30 20 DBED C[C@H](CNc1ccc(C#N)nn1)NC(=O)[C@H]1CN(C)C(=O)N1 1108041461 RTWGEEUNFYHGHO-PSASIEDQSA-N 303.326 -0.712 30 20 DBED C[C@H](CNc1nccnc1C#N)NC(=O)[C@@H]1CCC(=O)NC1 1108204002 MBACSFITZJTSRQ-NXEZZACHSA-N 302.338 -0.209 30 20 DBED C#CCCN1CC(N2C[C@@H](NC(=O)COCCOC)CC2=O)C1 1108528470 WZPZJCPJADZISM-ZDUSSCGKSA-N 323.393 -0.926 30 20 DBED C#CCCN1CC(N2C[C@@H](NC(=O)CC(C)(C)O)CC2=O)C1 1108540789 GLJMWAUMOVENFR-LBPRGKRZSA-N 307.394 -0.428 30 20 DBED N#Cc1cccnc1NC[C@@H](NC(=O)[C@@H]1CNC(=O)N1)C1CC1 1109964089 ZTBXSCMEJJVCDS-NEPJUHHUSA-N 314.349 -0.059 30 20 DBED N#Cc1nccnc1NC1(CNC(=O)CNC(=O)C2CC2)CC1 1110062024 ZUFNJWHGHRXGAF-UHFFFAOYSA-N 314.349 -0.065 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CSCC#N 1110300613 HAPBODSJYYLORU-UPJWGTAASA-N 320.418 -0.286 30 20 DBED CC[C@@H](OC)C(=O)N(C)[C@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1111178907 KWPPHMRDQHOIPH-RWMBFGLXSA-N 319.365 -0.219 30 20 DBED C#CCOCCC(=O)N1CCN([C@H](C)c2nnnn2C)CC1 1112844122 XITCQVKAIQRDHJ-GFCCVEGCSA-N 306.370 -0.545 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCN([C@@H]2CCN(CC)C2=O)CC1 1112846767 XLGPTGMLKOIVPU-UONOGXRCSA-N 307.394 -0.210 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)c3cc(C)[nH]n3)[C@@H]2C1 1113948098 MDYMQTROEKDHGI-GHMZBOCLSA-N 303.366 -0.320 30 20 DBED C=CCOCC(=O)NC1[C@H]2CN(CC(=O)NCC3CC3)C[C@H]12 1114051358 UIMCYTHKEGVXTI-STQMWFEESA-N 307.394 -0.238 30 20 DBED C=CCNC(=O)NC(=O)CN1C[C@H]2[C@H](NC(=O)[C@H](C)C#N)[C@H]2C1 1114067217 OSKVDCBPNCDZTF-DCQANWLSSA-N 319.365 -0.796 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)c3ncoc3CC)[C@@H]2C1 1114086350 VQHGBHLYGYWUOG-GHMZBOCLSA-N 316.361 -0.354 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@@H]2CN(Cc3cnc(C)o3)C[C@@H]12 1114160102 ROLVENODKTYFIA-CHWSQXEVSA-N 316.361 -0.331 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1[C@@H]2CN(CCOC(C)C)C[C@@H]21 1114170816 XUSDYMHXJHACIU-VIKVFOODSA-N 307.394 -0.403 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)C3(C)CCOCC3)[C@@H]2C1 1114978742 ZSUWRACQDLWJRZ-CHWSQXEVSA-N 319.405 -0.401 30 20 DBED C[C@@H](CCCN=c1cc[nH]cc1C#N)NC(=O)[C@@H]1CNC(=O)N1 1115062203 NTIWLFUFFPXAKH-GWCFXTLKSA-N 316.365 -0.247 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)c3ccc(OC)nn3)[C@H]2C1 1115069010 WOCPCVUOHICFNM-JYAVWHMHSA-N 316.361 -0.205 30 20 DBED C=CCCN1C[C@H]2C(NC(=O)CC[C@@H]3NC(=O)NC3=O)[C@@H]2C1 1115216211 FCTDDBOATAHXLG-MXWKQRLJSA-N 306.366 -0.403 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)NCC1(CS(C)(=O)=O)CC1 1117536840 JYERCXZGSNGZHB-JTQLQIEISA-N 318.395 -0.755 30 20 DBED C#CCN(C(=O)C(=O)N[C@@H]1CCS(=O)(=O)[C@@H]1C)C(C)C 1119810765 CJBNEDBZZGJWPW-GHMZBOCLSA-N 300.380 -0.452 30 20 DBED CCc1nc(C#N)cc(N[C@H](CO)CNC(=O)c2cn[nH]c2)n1 1121100597 VNVIRNWWHJKPKX-NSHDSACASA-N 315.337 -0.163 30 20 DBED Cc1cnc(C(=O)NC[C@@H](CO)Nc2nccnc2C#N)cn1 1121149890 CVRZAZVFBNFRGL-JTQLQIEISA-N 313.321 -0.351 30 20 DBED C[C@H](NC(N)=O)C(=O)NC[C@@H](CO)Nc1cccc(F)c1C#N 1121375362 AHEXWQYJBLOOBU-IUCAKERBSA-N 323.328 -0.357 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@H](CO)Nc1cc(C)nc(CO)n1 1121406308 SSHWXSBNNXNYEK-IAQYHMDHSA-N 324.381 -0.507 30 20 DBED C=CCCCC(=O)NC[C@@H](CO)N=c1cc[nH]c(C(=O)OC)n1 1122515522 ZZOVLWGTFOWWMF-NSHDSACASA-N 322.365 -0.070 30 20 DBED C=CCn1cc(C(=O)NC[C@H](CO)Nc2ccnc(C)n2)nn1 1122637403 SNYFHMLKSWTZRY-LLVKDONJSA-N 317.353 -0.235 30 20 DBED N#Cc1nccc(N2CC[C@@]3(NC(=O)CC(N)=O)CCC[C@H]23)n1 1123394467 PGELAOLZRCDEQA-BONVTDFDSA-N 314.349 -0.159 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)c1cnsn1 1124154527 MFCBMAGJXFYUPM-UHFFFAOYSA-N 310.383 -0.380 30 20 DBED C=CCCO[C@H](C)C(=O)NCCNCCN(C)S(C)(=O)=O 1124489355 YLOZQTJWQMONCG-GFCCVEGCSA-N 321.443 -0.435 30 20 DBED COCCC(=O)N(C)C[C@H](O)CN(C)c1nc(C)cc(C#N)n1 1124904471 YJSQFXIFWJQKFX-ZDUSSCGKSA-N 321.381 -0.051 30 20 DBED Cc1nn(C)c(C)c1NC(=O)CNCCNC(=O)[C@@H](C)C#N 1124908646 OOVRCOWCKGREHY-VIFPVBQESA-N 306.370 -0.159 30 20 DBED COCCCNC(=O)[C@H](C)NCCNC(=O)c1cc(C#N)c[nH]1 1125369991 FCMJGJONEXSFRA-NSHDSACASA-N 321.381 -0.253 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)[C@H]1COC(=O)N1 1126560586 MTUDBSJRPZJIHL-LLVKDONJSA-N 310.354 -0.999 30 20 DBED C[C@@]1(C(=O)NCc2cnn3c2CN(CC#N)CC3)CCNC1=O 1128488679 GNCULOLWHOAKEB-OAHLLOKOSA-N 316.365 -0.635 30 20 DBED C=CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H](C)CC(N)=O)C1 1129154284 NIESPPZBQHMVKS-UPJWGTAASA-N 320.397 -0.293 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCNCc1nn(CC)nc1C 1129770580 JKGGZHYBAFCIOR-HNNXBMFYSA-N 318.425 -0.090 30 20 DBED C=CCOCCNCCNC(=O)C[C@H]1CCS(=O)(=O)C1 1130991068 SWZZTNNVGLZLKL-GFCCVEGCSA-N 304.412 -0.280 30 20 DBED COCCC(=O)N1CC[C@@H](N2C(=O)O[C@H]3CN(CC#N)C[C@H]32)C1 1131295082 ZUNGGSUYAKVOGJ-UPJWGTAASA-N 322.365 -0.348 30 20 DBED C[C@@H]1CN(C(=O)CC(=O)N(C)C)C[C@@]2(CCN(CC#N)C2)O1 1131692366 GVOPVTDSZCRUCA-DOMZBBRYSA-N 308.382 -0.320 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@H](C1CC1)N1CCCC1 1131786288 LWYQVWZIQZYYHK-HNNXBMFYSA-N 308.426 -0.131 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@H](OC)c1cnn(C)c1 1131877386 CSGXBLOKOKIIIU-DGCLKSJQSA-N 323.397 -0.496 30 20 DBED C#CCNC[C@H]1CN(C(=O)CCCS(N)(=O)=O)CC[C@@H]1C 1133087624 RHFWJOKHUCKUAL-STQMWFEESA-N 315.439 -0.238 30 20 DBED COCCS(=O)(=O)CC(=O)N[C@H](C)C[C@@H](C)NCC#N 1134749323 SOAGVTDMHZFOGW-GHMZBOCLSA-N 305.400 -0.556 30 20 DBED CC(C)N1CCCC[C@H]1C(=O)NCCNCC(=O)NCC#N 1134759340 MNBGVGVCBIWJAT-ZDUSSCGKSA-N 309.414 -0.405 30 20 DBED CC#CCN[C@H](C)C[C@H](C)NC(=O)c1cnc(O)n(C)c1=O 1135166181 KHEMRXHXIOCIDL-MNOVXSKESA-N 306.366 -0.004 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1cnn2ccccc12 1135462070 BOXYJWGWCOHYBC-LBPRGKRZSA-N 313.361 -0.208 30 20 DBED C#CCCN[C@H](C)C[C@@H](C)NC(=O)Cn1nc(C)n(C)c1=O 1136055958 QMARJQDYGKWPJG-VXGBXAGGSA-N 307.398 -0.214 30 20 DBED C=CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)Cn1cncn1 1136128059 ZSDDWHQLUNFLJH-VXGBXAGGSA-N 308.386 -0.547 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)Cc1ccc(C)nc1 1151185577 ZPVCVXYOMMTYGP-ZDUSSCGKSA-N 302.378 -0.224 30 20 DBED C=CCO[C@@H](C)C(=O)NCCN[C@@H](C)C(=O)NCCCOC 1153160780 UGSGYZWERRATPS-STQMWFEESA-N 315.414 -0.176 30 20 DBED C=CCNC(=O)NC(=O)CNCCCNC(=O)[C@H](CC)OC 1155493369 QSUDPVTXVDCXLQ-NSHDSACASA-N 314.386 -0.481 30 20 DBED CC#CCN(CC)[C@H](C)CNC(=O)C[C@H](NC(C)=O)C(N)=O 1155644491 CLSGVEVTVWBWJZ-YPMHNXCESA-N 310.398 -0.784 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)c1ncccn1 1155950738 OQCGOJZCXIEVIH-LLVKDONJSA-N 304.354 -0.443 30 20 DBED C#CCNC(=O)CNCCCNC(=O)CCc1ccccn1 1163808336 AKYBRUMHRKZIAA-UHFFFAOYSA-N 302.378 -0.141 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1cnc2n1CCCC2 1164500680 BFGHXDUPDTYPCJ-UHFFFAOYSA-N 317.393 -0.322 30 20 DBED C#CCNC(=O)CNCC1(CCNC(=O)CCN(C)C)CC1 1166971433 NATLBPGVXQGUDG-UHFFFAOYSA-N 308.426 -0.436 30 20 DBED C[C@H](Cc1cnc[nH]1)C(=O)NCCCNCC(=O)NCC#N 1167985680 JUGGYEBSNXQOGK-LLVKDONJSA-N 306.370 -0.676 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@@H](C)Oc1ccccn1 1171383490 JFFIPUFJKCTDSL-CYBMUJFWSA-N 318.377 -0.306 30 20 DBED C[C@H](CCCCNCC#N)NC(=O)Cn1ccc(O)nc1=O 1171704298 YEFADCYCCQTBFH-LLVKDONJSA-N 307.354 -0.263 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@H](NCCN2CCNC2=O)[C@@H]1C 1178678848 UOZJHPJPDUJBDY-MJBXVCDLSA-N 322.409 -0.371 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)[C@@H]2CCOC2)[C@H]1C 1179844671 WIYABPLRIJDPRT-FQUUOJAGSA-N 307.394 -0.260 30 20 DBED C#CCCNCCCCCCNC(=O)c1cn(CC(N)=O)nn1 1180369356 AQAMMBCZTMTSSP-UHFFFAOYSA-N 320.397 -0.334 30 20 DBED C[C@@H]1CN(C(=O)[C@@H]2CCCO2)C[C@@]1(C)CNCC(=O)NCC#N 1180495568 GAUWHNSWYQAJDB-DVOMOZLQSA-N 322.409 -0.121 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](NC[C@H](O)Cn2cccn2)C1 1182466750 RRPRAABIQBSUTH-CABCVRRESA-N 320.393 -0.526 30 20 DBED C#Cc1cncc(C(=O)N2CC[C@@H](NCCS(C)(=O)=O)C2)c1 1185557477 GBYDLBNGMAIAPV-CQSZACIVSA-N 321.402 -0.088 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H]2CN(C[C@@H]3CCOC3)C[C@H]21 1187598725 ZSEUCCJYDOIQNC-SOUVJXGZSA-N 319.405 -0.305 30 20 DBED COCC#CCN1C[C@@H]2CCN(C(=O)[C@@H]3CC(=O)N(C)C3)[C@@H]2C1 1188094897 DBJKBKBCOLBGPQ-RRFJBIMHSA-N 319.405 -0.353 30 20 DBED CN(CC#N)[C@@H]1CCN(C(=O)CNC(=O)c2ccncc2)C1 1190306531 BYWSTAHWOZPSPD-CYBMUJFWSA-N 301.350 -0.132 30 20 DBED C#CCCCCC(=O)N[C@@H]1CN([C@H]2CCCN(C)C2=O)C[C@H]1O 1192320845 MYKAABGLPCOVHW-QLFBSQMISA-N 321.421 -0.038 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)Cc2ccoc2)C1 1192429898 SKIFHYCJWNUMRH-IACUBPJLSA-N 319.361 -0.879 30 20 DBED C=CCCN(C)[C@H]1CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)C1 1192687084 ATQLXVGSBXOGSD-STQMWFEESA-N 310.398 -0.525 30 20 DBED CN(CC#N)[C@H]1CCN(C(=O)CCCN2C(=O)CNC2=O)C1 1193929064 GEUVDUSTYZIEKV-NSHDSACASA-N 307.354 -0.625 30 20 DBED C#CCO[C@H](C)C(=O)N1CCCN([C@@H]2CCN(C)C2=O)CC1 1195806026 JSYMEXBAOCDFAV-ZIAGYGMSSA-N 307.394 -0.210 30 20 DBED C#CCNC(=O)[C@H](C)N1CCCN(C(=O)c2cncn2C)CC1 1196430845 VZEIXUZXRZNBSA-ZDUSSCGKSA-N 317.393 -0.294 30 20 DBED COCC#CCN1CCCN(C(=O)[C@@H]2CC[C@@H]2C(N)=O)CC1 1196724077 APWLGVBOVKBJNL-UONOGXRCSA-N 307.394 -0.318 30 20 DBED C[C@H](C#N)C(=O)N1CCCO[C@H](CNCC(=O)NC2CC2)C1 1200114079 ALAOXPUDFSFYAK-DGCLKSJQSA-N 308.382 -0.368 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)[C@H](OC)C2CC2)CC1 1200335153 WXSIGQHDOBPFBT-OAHLLOKOSA-N 307.394 -0.259 30 20 DBED C=CCNC[C@@H]1CN(C(=O)Cn2ccc(O)nc2=O)CCCO1 1200903490 ZGNGRVBTAQXHPT-GFCCVEGCSA-N 322.365 -0.658 30 20 DBED C=CCCNC[C@@H]1CN(C(=O)CN2CCNC(=O)C2)CCCO1 1201139450 VTKGDOYGOVZVMW-CQSZACIVSA-N 324.425 -0.799 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)CC(=O)NCC)[C@H](C)C1 1206894106 YAZCHUFFSPUFAH-FRRDWIJNSA-N 324.425 -0.360 30 20 DBED C=CCN1CC[C@H](N[C@@H]2CCCN(C(=O)CNC(C)=O)C2)C1=O 1207116271 JQQFQHHXHUOUNB-KGLIPLIRSA-N 322.409 -0.510 30 20 DBED Cn1[nH]c(CN[C@@H]2CCCN(C(=O)CSCC#N)C2)nc1=O 1207410179 PJLZBQROANRFCH-SNVBAGLBSA-N 324.410 -0.554 30 20 DBED C=CCOCCN[C@H]1CCCN(C(=O)CCn2cnnn2)C1 1210282774 JXENFESULGZSDV-ZDUSSCGKSA-N 308.386 -0.154 30 20 DBED CO[C@@H]1CN(CCCN2CCCC2=O)C[C@H]1NC(=O)[C@H](C)C#N 1212045600 RQFBUDRTKIVQDV-MGPQQGTHSA-N 322.409 -0.026 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)CNC(=O)c1cccs1 1213812423 COXWMUINDGFDOQ-GHMZBOCLSA-N 322.390 -0.183 30 20 DBED C=CCN1CC[C@H](N[C@@H]2CN(C(=O)CNC(C)=O)C[C@H]2C)C1=O 1214061328 QXJWJMUOJOXAIK-KWCYVHTRSA-N 322.409 -0.654 30 20 DBED CC[C@]1(C(=O)N2C[C@@H](NCC#CCOC)[C@H](C)C2)CCNC1=O 1214889950 RPBHWWGFICTWHG-CPUCHLNUSA-N 321.421 -0.011 30 20 DBED CCc1ncoc1C(=O)N1C[C@@H](NCC(=O)NCC#N)[C@H](C)C1 1215503376 GLKIINYACNQWGP-ZYHUDNBSSA-N 319.365 -0.073 30 20 DBED C#CCCCCC(=O)N1CCO[C@@H]2CN([C@H]3CCNC3=O)C[C@@H]21 1217669635 NFZFJRZORLYBNU-SOUVJXGZSA-N 319.405 -0.020 30 20 DBED CCc1nc(CN2C[C@H](O)[C@H](NC(=O)C#CC3CC3)C2)no1 1219589793 JCXDNCOVTJUAHH-NEPJUHHUSA-N 304.350 -0.293 30 20 DBED C=CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3n[nH]cc3F)[C@@H]2C1 1221795409 YHCFMZUGDPKXEL-ZYHUDNBSSA-N 321.356 -0.003 30 20 DBED C=CCCN1CCC(CNC(=O)CNC(=O)CNC(C)=O)CC1 1223638545 WRNOMDLZWRSBRH-UHFFFAOYSA-N 324.425 -0.357 30 20 DBED C=C(C)CN(CC)C(=O)CN1CCC(CNC(=O)C(N)=O)CC1 1224295353 WSKRVQYTCYZKGN-UHFFFAOYSA-N 324.425 -0.276 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CCN(C)C 1228355940 WJQPKCVAETYKFZ-ZIAGYGMSSA-N 308.426 -0.296 30 20 DBED C=CCNC(=O)[C@H](C)N1CC[C@H]1CN(C)C(=O)Cn1nccn1 1234583831 OZJMTASITZNZAP-STQMWFEESA-N 320.397 -0.499 30 20 DBED CN1C(=O)C[C@H](C(=O)NCC(=O)NCC#N)c2ccccc21 1258173844 YSHGCRHZUBDXOX-NSHDSACASA-N 300.318 -0.107 30 20 DBED CCN(C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)C1 1261486046 PEURBJNCSMDACJ-BBRMVZONSA-N 322.409 -0.336 30 20 DBED C=CCN(C(=O)[C@H](C)CS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1318941026 WUBJZNORIRRJHA-GHMZBOCLSA-N 323.436 -0.131 30 20 DBED C#CCN(CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)CC1CC1 1319446206 LTNHYQCAPAOBNC-UHFFFAOYSA-N 304.350 -0.806 30 20 DBED C#CCOCCNC(=O)C(=O)N1CC(C)(C)O[C@@]2(CCOC2)C1 1322967210 RIYNBRRTMVOTKF-INIZCTEOSA-N 324.377 -0.451 30 20 DBED C=C(Br)CNC(=O)C(=O)NCCCC(=O)N(C)C 1325890811 IJOYATXNKXIFGI-UHFFFAOYSA-N 320.187 -0.004 30 20 DBED C=CCOCCNC(=O)C(=O)N1C[C@@H](C)O[C@@H](COC)C1 1327052992 PMYBMUPPFPOPHX-VXGBXAGGSA-N 300.355 -0.433 30 20 DBED Cc1cc(NC(=O)C(=O)NC[C@@]2(O)CCO[C@H]2C)ncc1C#N 1327619426 PJVBSOHHEHFMHD-BONVTDFDSA-N 318.333 -0.144 30 20 DBED C#CC1CCN(C(=O)C(=O)N2CCC3(CCNC3=O)CC2)CC1 1330157819 OVHWTTTUDRPMAD-UHFFFAOYSA-N 317.389 -0.013 30 20 DBED C#C[C@H](NC(=O)C(=O)NCc1cn(CC)nn1)[C@@H]1CCCO1 1330998302 KCSZIWWQUMIYJO-RYUDHWBXSA-N 305.338 -0.789 30 20 DBED C=CCOC[C@@H]1NC(=O)N([C@H]2CS(=O)(=O)C[C@H]2C)C1=O 1334361183 QMRSMAWBCNMFNV-UTLUCORTSA-N 302.352 -0.458 30 20 DBED C=CCn1cc(Cn2nnnc2N2C[C@H]3COC[C@H]3C2)nn1 1335124537 YLCQNFDTJRDSCB-PHIMTYICSA-N 302.342 -0.419 30 20 DBED CC(C)(C#N)CC(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1 1341917737 ZKSGXTNDHIVDTA-JTQLQIEISA-N 311.363 -0.108 30 20 DBED COC(=O)[C@@H](O)CCNC(=O)C#Cc1ccc2c(c1)OCO2 1351155984 FURTVWBLZYEYGJ-NSHDSACASA-N 305.286 -0.193 30 20 DBED CC(C)(CC#N)CNC(=O)C1CCN(S(N)(=O)=O)CC1 1362707299 SYSZDIIFJZVPIE-UHFFFAOYSA-N 302.400 -0.042 30 20 DBED CC(=O)NCC(=O)N1CCCN(c2cc(C#N)nc(C)n2)CC1 1363746591 YCXSFHHRJJFNRW-UHFFFAOYSA-N 316.365 -0.169 30 20 DBED Cn1ccnc1CCNC(=O)CCn1cc(C#N)c(O)nc1=O 1364755051 JJWDGNCUMPSRRA-UHFFFAOYSA-N 316.321 -0.697 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNCc1nc(C(F)F)no1 1367584580 RMHCPLVRXWHSSG-RQJHMYQMSA-N 303.269 -0.266 30 20 DBED Cn1cc(C(=O)NC[C@H](O)CNCc2cccc(C#N)c2)nn1 1367586019 PXUGMXNEGVZFRC-CYBMUJFWSA-N 314.349 -0.433 30 20 DBED CNC(=O)c1ccc(CNC[C@@H](O)CNC(=O)[C@@H](C)C#N)cc1 1374588227 DIQFWDYHKNQRRY-SMDDNHRTSA-N 318.377 -0.227 30 20 DBED CNC(=O)NCC(=O)N1CC2(CCN(C(=O)[C@@H](C)C#N)C2)C1 1384553962 ALYFKLROLRNKGD-JTQLQIEISA-N 307.354 -0.864 30 20 DBED CCN(C(=O)CCn1cnnn1)[C@H]1CCN(C(=O)[C@H](C)C#N)C1 1387991832 JZMGYNISTUSMLV-NEPJUHHUSA-N 319.369 -0.328 30 20 DBED CCN(CCNC(=O)c1c[nH]c(C(N)=O)c1)C(=O)[C@@H](C)C#N 1388272965 CJMYECMZGMTHOK-VIFPVBQESA-N 305.338 -0.148 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CCNC(=O)[C@H]2COC(=O)N2)CC1 1388316718 UJJHMOANQOIVAY-CMPLNLGQSA-N 322.365 -0.001 30 20 DBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)c1cc(=O)n(C)cn1 1411937805 RNUHXEOIDXEMEW-UHFFFAOYSA-N 315.337 -0.338 30 20 DBED CO[C@@H]1CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)C[C@@H]1C 1412981646 MUFDSVPXBHNCIJ-GXSJLCMTSA-N 306.322 -0.296 30 20 DBED C[C@H](C#N)C(=O)NCC1CN(C(=O)C[C@H]2CCC(=O)NC2)C1 1416122496 XDFUCOYXHPLGSG-GHMZBOCLSA-N 306.366 -0.363 30 20 DBED COC(=O)CC(C)(C)N(C)C(=O)Cn1cc(C#N)c(O)nc1=O 1417688537 ROALFDYGDNBNRX-UHFFFAOYSA-N 322.321 -0.379 30 20 DBED COCC1(CC(=O)N(C)C[C@@H](O)CNC(=O)[C@@H](C)C#N)CC1 1425784172 JDPZGLDDXWGDCR-RYUDHWBXSA-N 311.382 -0.102 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CN(C)C(=O)c1ncccc1O 1444639253 GWMZQWVFUSDUFS-VHSXEESVSA-N 306.322 -0.504 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)c2ccc3nn[nH]c3n2)C1 1447444286 IVZHCUIKNPVEAM-IWSPIJDZSA-N 313.321 -0.110 30 20 DBED C[C@@H](CNC(=O)c1ccc(C#N)[nH]1)NC(=O)[C@H]1CCC(=O)N1 1454599053 OUUGQPZZJNWUCN-GZMMTYOYSA-N 303.322 -0.601 30 20 DBED C=C(Cl)CNC[C@H](C)CNC(=O)CN1CCN(C)C(=O)C1 1482118793 PLIZZHNCSQJQDH-NSHDSACASA-N 316.833 -0.145 30 20 DBED CCN(CCNC(=O)[C@@H](C)NC(C)=O)C(=O)c1cc(C#N)c[nH]1 1496645393 IIIVCOPOCVPYGN-SNVBAGLBSA-N 319.365 -0.011 30 20 DBED C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@@H](CNS(N)(=O)=O)C1 1574852575 VMVWWMZYIBAORA-VHSXEESVSA-N 324.834 -0.512 30 20 DBED O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1CC2(CCNC2)C1 1580839291 INEYBLLKSXWUMB-OUKQBFOZSA-N 319.365 -0.482 30 20 DBED N#Cc1nc(NC(=O)C2(C#N)CCOCC2)[nH]c1-c1nn[nH]n1 1581859872 ACEQWQUQHNGKNX-UHFFFAOYSA-N 313.281 -0.280 30 20 DBED N#Cc1c(-c2nn[nH]n2)ncn1C[C@](O)(C(N)=O)c1ccccc1 1581860681 NHEBOIMRQNRTJF-CQSZACIVSA-N 324.304 -0.692 30 20 DBED C#C[C@H]1CCCCN1C(=O)C(=O)N1C[C@@H](C(=O)O)O[C@H](C)C1 1588381862 CAECYHBBPCLBEZ-WOPDTQHZSA-N 308.334 -0.299 30 20 DBED C#CC[C@@H](NC(=O)[C@@](C)(O)Cn1c(C)cccc1=O)C(=O)O 1588399815 XLDWWCAHKHIMFD-ABAIWWIYSA-N 306.318 -0.500 30 20 DBED C#CCN1CCN(C(=O)CN2CC(F)(F)C[C@@H]2C(=O)O)CC1 1588476896 HXCUWAILCOLNOS-LLVKDONJSA-N 315.320 -0.442 30 20 DBED Cn1cc([C@@H](CO)Nc2cnc(C#N)c(-c3nn[nH]n3)n2)cn1 1592566251 KUWQMHKHJBGEJR-SECBINFHSA-N 312.297 -0.593 30 20 DBED CO[C@H](C(=O)O)C(=O)N1CCN(c2cnccc2C#N)CC1 1593906491 YTZLDULFZYEHKU-LBPRGKRZSA-N 304.306 -0.299 30 20 DBED COC(=O)[C@@H](CCC(=O)O)NS(=O)(=O)N(C)[C@@H](C)CC#N 1598894179 ZGDUSNPONRKCDH-DTWKUNHWSA-N 321.355 -0.539 30 20 DBED C#CCn1ccc(CN(CC)C(=O)C(=O)NCCC(=O)O)n1 1602704835 WTNHXFPDBISRHB-UHFFFAOYSA-N 306.322 -0.544 30 20 DBED C=CCCS(=O)(=O)N[C@@H]1CCCCN(CC(=O)O)C1=O 1602722003 NYSZTNZCLDYPHB-SNVBAGLBSA-N 304.368 -0.052 30 20 DBED C[C@@]1(C(=O)O)CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)C1 1603301670 GQSIPFTZCUMNOE-CYBMUJFWSA-N 306.278 -0.856 30 20 DBED COC(=O)[C@@H]1CC[C@H](C(=O)O)N(S(=O)(=O)CCCC#N)C1 1606395350 WWCHWEOAHNFCAO-NXEZZACHSA-N 318.351 -0.042 30 20 DBED N#Cc1ccc(N2C[C@H](C(=O)NCc3nn[nH]n3)CC2=O)cc1 1645554343 JXOGNIOMKGPXDH-SNVBAGLBSA-N 311.305 -0.259 30 20 DBED CCc1cc(C(=O)N[C@@H]2CCN(CC(=O)NCC#N)C2)n(C)n1 1690107664 VWAGUQDKZOUQQH-GFCCVEGCSA-N 318.381 -0.574 30 20 DBED CN1CCC(C(=O)NCCCN(C)CC(=O)NCC#N)CC1 1752056510 UOEZHXPNLTXATP-UHFFFAOYSA-N 309.414 -0.594 30 20 DBED CCNC(=O)CC(=O)NC[C@H]1CCCCN1CC(=O)NCC#N 1752816578 PKFBMFAWNLHNHO-GFCCVEGCSA-N 323.397 -0.877 30 20 DBED COCC#CCN[C@H](C)CNC(=O)C1CCS(=O)(=O)CC1 1752906925 SSOIBVDQUAOXJJ-GFCCVEGCSA-N 316.423 -0.445 30 20 DBED C=C(C)CN1CC(CNC(=O)C(C)(C)NS(C)(=O)=O)C1 1753413021 YJGZYJMECAXJKO-UHFFFAOYSA-N 303.428 -0.062 30 20 DBED C[C@H](CNC[C@H](O)CN1CCCC1=O)CNC(=O)C#CC1CC1 1753612844 LCTFGUIXQBHPCK-HIFRSBDPSA-N 321.421 -0.275 30 20 DBED C[C@H](CNCC(=O)NCC#N)N(C)C(=O)Cc1cscn1 1753725405 DQGRWQAJGHHGOH-SNVBAGLBSA-N 309.395 -0.238 30 20 DBED C=C(C)CCNC[C@H](O)CNC(=O)Cn1c(C)cc(C)nc1=O 1753931925 DQBOYJBGPVNXDX-AWEZNQCLSA-N 322.409 -0.107 30 20 DBED CC(C)C#CC(=O)NC[C@]1(O)CCN(CCN2CCNC2=O)C1 1754748072 DKOOARCIMWUQLI-MRXNPFEDSA-N 322.409 -0.776 30 20 DBED C=CCNC(=O)CN1C[C@H]2CN(C(=O)c3cnn[nH]3)C[C@H]2C1 1754845962 RLQJESMRIAXKLT-PHIMTYICSA-N 304.354 -0.889 30 20 DBED C#CCNC(=O)CN1CCOC[C@@H]1CNC(=O)c1ccn(C)c1 1754965185 JRLFYROOGQYNPC-AWEZNQCLSA-N 318.377 -0.795 30 20 DBED N#CCNC(=O)CNC[C@H]1CN(C(=O)[C@H]2CC=CCC2)CCO1 1754996281 XISQGCOPKXAWBE-KBPBESRZSA-N 320.393 -0.201 30 20 DBED CC(C)C#CC(=O)N[C@H](C)[C@@H](C)NCC(=O)N1CCNC(=O)C1 1755253404 KLRBTDSYONYATL-CHWSQXEVSA-N 322.409 -0.913 30 20 DBED COCC#CCN1CC([C@@H](C)NC(=O)CCn2cnnn2)C1 1755389285 SVBHQRVVMVXYHI-GFCCVEGCSA-N 306.370 -0.851 30 20 DBED C=CCOCCN1C[C@@H]2C(CNC(=O)Cn3cnnn3)[C@H]2C1 1755433870 REWPMDSECZSGBJ-CHWSQXEVSA-N 306.370 -0.830 30 20 DBED C#CCN[C@H](C)[C@@H]1CN(C(=O)CN2CCCCC2=O)CCO1 1755444903 OZFKNXVRXILXEH-KGLIPLIRSA-N 307.394 -0.162 30 20 DBED N#CCNC[C@H]1CC2(CCN(C(=O)C3(C(N)=O)CC3)CC2)CO1 1755462852 AGTNMEYZVDAEKG-GFCCVEGCSA-N 320.393 -0.237 30 20 DBED C#CCCN(C)CCOCCNC(=O)[C@@H]1CCc2nncn2C1 1755546003 IWUSOQMMVOCGNR-CQSZACIVSA-N 319.409 -0.072 30 20 DBED C[C@@H](CN(C)C(=O)c1cn(C[C@H]2CCOC2)nn1)NCC#N 1755611266 NXPUXZYICGXUFC-NWDGAFQWSA-N 306.370 -0.112 30 20 DBED C[C@@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)CCn1cccn1 1755665983 VXTQCTPTQYYHSK-OLZOCXBDSA-N 318.381 -0.508 30 20 DBED CO[C@H](C(=O)N1C[C@H](NCC(=O)NCC#N)C(C)(C)C1)C1CC1 1755754970 FPPZJAKKKMWHQY-JSGCOSHPSA-N 322.409 -0.122 30 20 DBED C#CCCN[C@H]1CN(C(=O)CN(C)S(C)(=O)=O)CC1(C)C 1755757242 LAQPUYBVWLACTD-LBPRGKRZSA-N 315.439 -0.272 30 20 DBED COCC#CCN(C)C[C@@H](O)CN(C)C(=O)c1oncc1C 1755807636 VUZKLMZXIAYZAL-CYBMUJFWSA-N 309.366 -0.002 30 20 DBED COC(=O)NCC(=O)NC[C@@H](C)N(C)C(=O)CSCC#N 1756005712 LGHLNVKEOPLFHZ-SECBINFHSA-N 316.383 -0.438 30 20 DBED C[C@H](C#N)C(=O)N(C)CCOCCNC(=O)Cc1cncn1C 1756378367 PORJURQVCMEMCE-GFCCVEGCSA-N 321.381 -0.287 30 20 DBED C=CCOCC(=O)N[C@@H](CO)CNC(=O)c1cnn(C)c1C 1756503930 RZGLMPKOIAUCFC-LLVKDONJSA-N 310.354 -0.862 30 20 DBED C=CC(C)(C)CC(=O)NC[C@@H](CO)NC(=O)c1cnnc(O)c1 1756524594 ZTGXVSFJHPHAGH-NSHDSACASA-N 322.365 -0.009 30 20 DBED CNC(=O)CNC(=S)NN=Cc1ccc(CCC(=O)O)o1 1776042433 NPHRXTAVFKSPQZ-UHFFFAOYSA-N 312.351 -0.159 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(Cc2nc(C)no2)c1=O 26640365 ATZYJBMXQUGTRM-UHFFFAOYSA-N 305.294 -0.717 30 20 DBED C=CCNC(=O)NC(=O)CN1CCC[C@H](NS(C)(=O)=O)C1 41621865 OIEOYKHZIJOPNZ-JTQLQIEISA-N 318.399 -0.988 30 20 DBED C=C(Cl)CN1CCN(C(=O)C(=O)N2CCOCC2)CC1 53433351 KDHCXGUSTJFOPA-UHFFFAOYSA-N 301.774 -0.258 30 20 DBED C#Cc1cccc(NC(=O)CNS(=O)(=O)N2CCOCC2)c1 56120760 WHNGMWUQUPKULH-UHFFFAOYSA-N 323.374 -0.227 30 20 DBED C#CCCCCNC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 154906854 IFLWTFUAVIFPNT-UHFFFAOYSA-N 320.393 -0.078 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H]2CCO[C@@H](C)C2)C1=O 271436910 GPMJXBPSQKJYSV-WDEREUQCSA-N 323.349 -0.106 30 20 DBED C#CCOc1ccc(F)cc1NC(=O)C(=O)N(CCO)CCO 275346703 YXIRMRNRAWLYLK-UHFFFAOYSA-N 324.308 -0.411 30 20 DBED CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N1C[C@H](O)[C@@H](O)C1 279395884 KQXLDMOSCNNFPE-QWRGUYRKSA-N 320.349 -0.383 30 20 DBED C=CCn1c(C)nnc1N1CCN(CC(=O)NCCOC)CC1 282731928 XEYDFNSVQMWVKJ-UHFFFAOYSA-N 322.413 -0.343 30 20 DBED N#Cc1ccccc1S(=O)(=O)NCCCCS(N)(=O)=O 292837417 PHMCWTRSALLYQG-UHFFFAOYSA-N 317.392 -0.095 30 20 DBED O=C1C[C@H](C/N=C(/O)N2CCN3C(O)=NC[C@H]3C2)CN1C1CC1 329341386 OXTLZQMZHOVPBY-PWSUYJOCSA-N 321.381 -0.175 30 20 DBED C[C@]1(NC(=O)CNc2ccc(C#N)cn2)CCS(=O)(=O)C1 330538788 GGNRWJGCAHCTSC-ZDUSSCGKSA-N 308.363 0.059 30 20 DBED CCCS(=O)(=O)N1CCCC[C@H]1C(=O)NCC#CCO 330599696 FFWAVDVCKOPLPW-LBPRGKRZSA-N 302.396 -0.307 30 20 DBED C[C@@H](CN1CCN(C)CC1)NS(=O)(=O)N(C)CCC#N 330639778 DLXZOTIINJHUCJ-LBPRGKRZSA-N 303.432 -0.698 30 20 DBED CCN(CCC#N)S(=O)(=O)NC[C@@H](O)C1CCOCC1 337102221 WXRKUJISDUIKEQ-GFCCVEGCSA-N 305.400 -0.156 30 20 DBED CCOCCS(=O)(=O)N(CCC#N)CCN1CCOCC1 354512925 QOJFHKUTXMRVRB-UHFFFAOYSA-N 319.427 -0.099 30 20 DBED COc1ccc(NC(=O)C(=O)NCC(=O)NCC#N)c(C)c1 357310338 OJFSPAUPRWBAOI-UHFFFAOYSA-N 304.306 -0.302 30 20 DBED C=C[C@H](CO)NC(=O)NCc1ccc(OCC(N)=O)c(OC)c1 358567546 LCQQOMOJEGKKTN-LLVKDONJSA-N 323.349 -0.095 30 20 DBED C=CCNc1nnc(S(=O)(=O)CC(=O)N(C)CC)s1 358744058 RMXHTBDRTHCJKN-UHFFFAOYSA-N 304.397 0.388 30 20 DBED CC(C)(C)c1nnc(NC(=O)C(=O)N2CCO[C@H](C#N)C2)s1 408096878 GRLUQPJSDGJGLF-MRVPVSSYSA-N 323.378 0.525 30 20 DBED CC(C)NS(=O)(=O)NCCNS(=O)(=O)CCCC#N 428413342 ZJEASAWGNXVQBM-UHFFFAOYSA-N 312.417 -0.958 30 20 DBED C#CCN1CCC(C(=O)OCCN2CCCS2(=O)=O)CC1 490872703 GQLSVLAYJXPUIO-UHFFFAOYSA-N 314.407 -0.090 30 20 DBED C=CCSCCNC(=O)C(=O)N1CCO[C@@H]([C@@H](C)N)C1 591372985 HPHWKATYFOTWJM-GHMZBOCLSA-N 301.412 -0.404 30 20 DBED Cc1cc(NC(=O)C(=O)N[C@@H]2CC(=O)N(C)C2)ncc1C#N 594297303 SDFXHYSKMVGXIS-SNVBAGLBSA-N 301.306 -0.453 30 20 DBED COC(=O)c1ccc(F)cc1S(=O)(=O)NCC#CCO 601456533 NVYDFYNAKRFYPE-UHFFFAOYSA-N 301.295 -0.114 30 20 DBED C[C@]1(CO)CCCN1C(=O)C(=O)N1CCN(CCC#N)CC1 601462192 SWNPAUNHXGORPQ-OAHLLOKOSA-N 308.382 -0.582 30 20 DBED CCN(CCNC(=O)C(=O)N1CCN(CCC#N)CC1)C1CC1 602243963 UPAPWCSIRGFPQW-UHFFFAOYSA-N 321.425 -0.355 30 20 DBED C=CC[C@@]1(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)OC)CCCN1 602587108 FILUPGAFJINPEO-PGUXBMHVSA-N 311.382 -0.133 30 20 DBED CCN(C[C@H](C)C#N)C(=O)COC(=O)C1CC(=O)NC(=O)C1 726817977 JVYZYJZNPYIAMT-SECBINFHSA-N 309.322 -0.409 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N1C[C@@H](CO)OC(C)(C)C1 817780988 GGTBDIZXLGGVJT-NSHDSACASA-N 320.411 -0.232 30 20 DBED CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1CCCN(O)C1=O 820475870 BQPKFQPTFBBHLI-RKDXNWHRSA-N 321.399 -0.553 30 20 DBED N#CCn1cc(NC(=O)C(=O)N2CCC(C(=O)O)CC2)cn1 821324429 DYOJPPALAKRPAG-UHFFFAOYSA-N 305.294 -0.332 30 20 DBED N#C[C@H]1COCCN1C(=O)COc1cccc(-c2nn[nH]n2)c1 822805959 HEQBPHCSRBRXRP-NSHDSACASA-N 314.305 -0.004 30 20 DBED C/N=C(/NCCN1CCOCC1)NC[C@H](CO)[C@@H]1CCOC1 849025049 KWQFISKQHQJAEP-ZIAGYGMSSA-N 314.430 -0.871 30 20 DBED C#C[C@@H](NC(=O)N(CCN(C)C)CC(=O)N(C)C)[C@@H]1CCCO1 854003254 GQUPPHZIGVMKIP-KGLIPLIRSA-N 324.425 -0.171 30 20 DBED CC#CC(=O)N1CCN(S(=O)(=O)N=S(C)(C)=O)CC1 854832762 IBHOOLYYYGHZSE-UHFFFAOYSA-N 307.397 -0.874 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)OCC#C 870861684 JJGRFUZIJDHGPS-KBXIAJHMSA-N 318.373 -0.125 30 20 DBED C#C[C@@H](NC(=O)N[C@H]1CS(=O)(=O)C[C@H]1C)[C@H]1CCCO1 884275925 ZYSHLVFNQVRCQM-WISYIIOYSA-N 300.380 -0.101 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1CCOC[C@H]1COC 922056957 BORGRCSGAQPQQH-GFCCVEGCSA-N 321.399 -0.560 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@@H]2CCCCN2C(=O)CC(N)=O)c1 937299436 IBQWCSFFAKBEHI-NSHDSACASA-N 317.349 -0.127 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@H](NC(=O)CN2CCOCC2=O)C1 938134148 SQOWEBPLLPIRIA-LBPRGKRZSA-N 323.393 -0.226 30 20 DBED C[C@@H](C#N)C(=O)N1CCCN(C(=O)[C@@H]2CCCNC2=O)CC1 941359212 VUSXZQDCJIZBBH-NWDGAFQWSA-N 306.366 -0.267 30 20 DBED Cc1nc[nH]c1C(=O)NC[C@H]1CN(C(=O)[C@@H](C)C#N)CCO1 944666382 TXDFJMGBMVLURL-ONGXEEELSA-N 305.338 -0.165 30 20 DBED N#Cc1cc(C(=O)NC[C@@H]2CCN2C(=O)Cn2nccn2)c[nH]1 949497702 LLHLMHMRZNASSL-LBPRGKRZSA-N 313.321 -0.491 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2CCCN(C(=O)CC(N)=O)C2)[nH]1 950253791 MRMWVWXCXYQURH-JTQLQIEISA-N 303.322 -0.517 30 20 DBED O=C(NC[C@H]1CCN1C(=O)C#CC1CC1)c1cnnc(O)c1 950527124 NITQFPOBWCTFNI-GFCCVEGCSA-N 300.318 -0.074 30 20 DBED N#Cc1c[nH]c(C(=O)N2[C@H]3CC[C@H]2CN(C(=O)C(N)=O)CC3)c1 952520049 ZOGHOEBBKJMAPE-QWRGUYRKSA-N 315.333 -0.423 30 20 DBED CC(=O)N1CCOC[C@H]1C(=O)N(C)C1CN(C(=O)[C@H](C)C#N)C1 954419780 XRSAGJUKPJTEFH-MFKMUULPSA-N 322.365 -0.937 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)C(N)=O)C[C@@H]2C)cn1 955760274 KXIUQIDOGPKBOX-GWCFXTLKSA-N 314.345 -0.343 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2CCCN2C(=O)C(N)=O)nc1 956188086 CDEPIWVRSOASQZ-NSHDSACASA-N 300.318 -0.731 30 20 DBED C=C(C)CN1CC(N(CC)C(=O)c2cn(CC(N)=O)nn2)C1 957424493 XVBVPGUTMMZTST-UHFFFAOYSA-N 306.370 -0.514 30 20 DBED CC#CCN1C[C@H](CNC(=O)c2cc3n(n2)CCC3)[C@@H](O)C1 958126112 HUGTVOGZHHJZNH-WFASDCNBSA-N 302.378 -0.125 30 20 DBED C#CCCN1C[C@H](O)[C@H](CNC(=O)c2cn3cccnc3n2)C1 958215514 WWXIZGQYAYAWDD-OCCSQVGLSA-N 313.361 -0.225 30 20 DBED C#CCCN1C[C@H](O)[C@H](CNC(=O)c2cn(C)nc2OC)C1 958309312 JTUVSDTUMIQTSO-YPMHNXCESA-N 306.366 -0.526 30 20 DBED C#CCN1C[C@H](CNC(=O)c2nc3nccc(C)n3n2)[C@@H](O)C1 958646015 ZKSZEMJBYCPBCW-RYUDHWBXSA-N 314.349 -0.912 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2ccn(C)n2)C1 958850934 WFAFIKRKIUYEJK-DLOVCJGASA-N 305.338 -0.777 30 20 DBED Cc1nocc1C(=O)N(C)[C@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1O 958941720 HPOMBPALMPCTPT-UWJYBYFXSA-N 306.322 -0.214 30 20 DBED N#Cc1cc(C(=O)N2C[C@H](O)[C@H](NC(=O)c3ncc[nH]3)C2)c[nH]1 962807492 QQUACPMQUSCIOA-MNOVXSKESA-N 314.305 -0.775 30 20 DBED C[C@@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)Cn1nccn1)C2 969805021 IRVACEBLIJNBGV-SRVKXCTJSA-N 302.338 -0.360 30 20 DBED C[C@@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)[C@H]1C[C@H]1C(N)=O)C2 969819121 YNIDRKMHZXQCCL-NGDQXYMTSA-N 304.350 -0.531 30 20 DBED C#CCN[C@@H]1CCN(C(=O)c2cn(C[C@@H]3CCOC3)nn2)C1 970360969 USOCFONCZLERBW-QWHCGFSZSA-N 303.366 -0.248 30 20 DBED C#CCN(C)[C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1 972325308 YPSJZPPNHVYLMP-HZSPNIEDSA-N 307.394 -0.212 30 20 DBED C[C@H](C#N)C(=O)N1[C@H]2CC[C@H]1CC(NC(=O)c1nnn(C)n1)C2 973646080 SOOYYAONZUJVAB-MIMYLULJSA-N 317.353 -0.378 30 20 DBED CN(C[C@@H]1CCN1C(=O)C#CC1CC1)C(=O)[C@H]1C[C@H]1C(N)=O 978403386 DHKIWIHVHGYPTL-XQQFMLRXSA-N 303.362 -0.420 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCCCN(C(=O)C(N)=O)C1 987129722 KYQUTLGKMAKBLO-XQQFMLRXSA-N 323.393 -0.050 30 20 DBED C#Cc1ccc(C(=O)N2CC(NC(=O)C3=COCCO3)C2)nc1 990124469 DMTGNGXMMSQPTQ-UHFFFAOYSA-N 313.313 -0.108 30 20 DBED C#Cc1ccc(C(=O)N2CC(NC(=O)[C@@H]3COCCO3)C2)cn1 990283548 XVPALWDLMMOKNX-AWEZNQCLSA-N 315.329 -0.581 30 20 DBED CN1CCC[C@@H]1C(=O)N1CC(NC(=O)c2cc(C#N)c[nH]2)C1 990690401 BAGKHBZZQQHDSN-CYBMUJFWSA-N 301.350 -0.079 30 20 DBED C[C@H](C#N)C(=O)N1CC(NC(=O)c2cnc3[nH]c(O)nc3c2)C1 994982898 WUYIODGKIOWJDR-SSDOTTSWSA-N 314.305 -0.236 30 20 DBED O=C(NC1CN(C(=O)C#CC2CC2)C1)[C@H]1CCc2nn[nH]c2C1 996390642 HUMJIDFKWKZFPZ-NSHDSACASA-N 313.361 -0.350 30 20 DBED C=C(Cl)CN[C@H]1CCCN(C(=O)CN2CC(=O)NC2=O)C1 1000477853 XRJWOMJNBMGMNC-JTQLQIEISA-N 314.773 -0.129 30 20 DBED C[C@@H](C#N)C(=O)N1CC(CNC(=O)[C@@H]2CCCCN2C(N)=O)C1 1004588744 BUHUVRZQQUKVOB-JQWIXIFHSA-N 321.381 -0.346 30 20 DBED CC#CCN1CCC[C@H](NC(=O)Cn2nc(C)n(C)c2=O)C1 1009383856 SJLNMQWUWXQDBV-ZDUSSCGKSA-N 305.382 -0.506 30 20 DBED N#Cc1c[nH]c(C(=O)N2CCN(C(=O)[C@H]3COCCO3)CC2)c1 1010411992 OBDOIVNVFZAGRG-CYBMUJFWSA-N 318.333 -0.414 30 20 DBED Cc1cc(CC(=O)NC2[C@@H]3CN(C(=O)[C@H](C)C#N)C[C@@H]23)n[nH]1 1012933796 NFVVNIQXFUGQAM-GGZOMVNGSA-N 301.350 -0.007 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2c3n(c(=O)n2C)CCCC3)C1 1015712982 ITQULCHVRSQAHB-GFCCVEGCSA-N 302.378 -0.040 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H]2CC23CCN(CC(N)=O)CC3)c1 1016561699 HJSOOQWUFWCKCK-LBPRGKRZSA-N 301.350 -0.044 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@H](NCc3nc(O)n[nH]3)C2)cn1 1019675391 NIXYFFMVXZBZNQ-LBPRGKRZSA-N 312.333 -0.109 30 20 DBED C=C(Br)CN[C@H]1C[C@H](NC(=O)c2nnn(C)n2)C1 1020480124 REMKHUQBFHTEQI-ZKCHVHJHSA-N 315.175 -0.031 30 20 DBED CC#CCN1CCC[C@H](CNC(=O)c2nnc(O)nc2O)C1 1023468521 WQJKLKJPECCQFK-SNVBAGLBSA-N 305.338 -0.252 30 20 DBED Cn1nnc(CN[C@@H]2CC[C@H]3CN(C(=O)C#CC4CC4)C[C@@H]32)n1 1026263192 FWDCGQLZIRZTSU-MELADBBJSA-N 314.393 -0.050 30 20 DBED C#CCN[C@@H]1CC[C@@H]2CN(C(=O)c3cn(C)c(=O)nc3O)C[C@@H]21 1026419974 ZVXKZLYCOKTSCF-NTZNESFSSA-N 316.361 -0.441 30 20 DBED CC#CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cn(C)c(=O)nc1O 1032780186 WTKDPZQUCGRFDA-QWRGUYRKSA-N 302.334 -0.592 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)[C@@H]2CCc3nccn3C2)C1 1035418075 AFDNOHQDFMCIDC-KGLIPLIRSA-N 302.378 -0.104 30 20 DBED C#CCCN1CCO[C@@H](CNC(=O)c2cn(CC=C)nn2)C1 1035536435 QJLZKRXMCIUSFU-ZDUSSCGKSA-N 303.366 -0.082 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)c2c3c(nn2C)CCC3)C1 1035576151 FVJQYNJDAISEPW-LBPRGKRZSA-N 302.378 -0.027 30 20 DBED N#CCN1CC2(CCN(C(=O)CCN3C(=O)CCC3=O)CC2)C1 1035745474 KBGCJRCBTAQJNE-UHFFFAOYSA-N 318.377 -0.027 30 20 DBED C[C@H]1CN(C(=O)c2cn(C)c(=O)nc2O)CC[C@H]1NCC#N 1036305937 NFEKVUGKUWJANB-GXSJLCMTSA-N 305.338 -0.550 30 20 DBED N#CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)c1cccc(OCC(N)=O)c1 1037434192 GHJWIAUBYPQLDC-ZLDLUXBVSA-N 314.345 -0.123 30 20 DBED CC[C@@H]1CN(C(=O)CN2CCN(C)C(=O)C2)CC[C@@H]1NCC#N 1037868777 JTBBSBBCYOKZAE-KGLIPLIRSA-N 321.425 -0.499 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@H](C1)N2CC(N)=O 1039648421 NKBIGMHIHGWARF-ZNMIVQPWSA-N 318.421 -0.365 30 20 DBED CC#CCCCC(=O)NC[C@]1(O)CCN(C(=O)CC(=O)NC)C1 1040609241 NRUCMGHBYVNPMR-MRXNPFEDSA-N 323.393 -0.604 30 20 DBED C[C@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)c2n[nH]cc2F)C1 1040762152 ZPVQWSXDTSCDEO-AMIZOPFISA-N 309.301 -0.598 30 20 DBED C[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1NC(=O)[C@@H]1COCCO1 1041787541 UQPXOTJDEYBIJZ-RTXFEEFZSA-N 317.349 -0.295 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)CC(F)(F)F)C1 1041826753 GNMUNJVKGLTDCN-UHFFFAOYSA-N 310.272 -0.169 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)[C@H]2CCOC2)C1 1041889374 MPVJIHKDRMYNGE-RYUDHWBXSA-N 312.366 -0.697 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)C[C@H]2CCC(=O)N2)C1 1041956352 HJEAPMLMWZLGBI-LLVKDONJSA-N 309.366 -0.689 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)C2[C@H]3CCC[C@H]23)C1 1042386656 LKVFBCUPQWPHDW-RYUDHWBXSA-N 308.378 -0.075 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)c2cn(C)cn2)C1 1042547379 RDAIPWMPWPRYRI-UHFFFAOYSA-N 304.350 -0.617 30 20 DBED C=C(C)CCC(=O)NCC1(O)CN(C(=O)c2cc(=O)n(C)o2)C1 1043310090 CGGMIVHJTGUJQO-UHFFFAOYSA-N 323.349 -0.362 30 20 DBED C=C(C)CN1CC(N(C)C(=O)c2cc(=O)n3[nH]cnc3n2)C1 1044180506 DFZBORIUISZKID-UHFFFAOYSA-N 302.338 -0.250 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(O)(CNC(=O)[C@@H](F)C(C)C)C1 1044959227 WJOKGUBJXXWDHP-JSGCOSHPSA-N 316.373 -0.003 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)[C@]2(F)CCOC2)C1 1045137211 CTQMNQYTVPCXLM-AWEZNQCLSA-N 316.329 -0.993 30 20 DBED N#CCN1C[C@H]2C[C@@H](NC(=O)CN3C(=O)CNC3=O)C[C@H]1C2 1047197896 OJVJOGQHTVDEOK-HBNTYKKESA-N 305.338 -0.969 30 20 DBED CCc1cnc(O)c(C(=O)N(C)[C@H]2CN(CC#N)C[C@@H]2O)c1 1047581323 UQHXMSOSYBOCSI-STQMWFEESA-N 304.350 -0.010 30 20 DBED C#Cc1cncc(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)COC)C2)c1 1048039083 ZOZPCROBHXHBGS-KBPBESRZSA-N 317.345 -0.647 30 20 DBED CCOCC(=O)N(C)[C@H]1CN(C(=O)CSCC#N)C[C@@H]1O 1048122770 FIVPTCKYGPZFKX-QWRGUYRKSA-N 315.395 -0.690 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@]23COC[C@@H]2C3)C1 1048953736 JZRCOFIBGMTPTC-WSMBLCCSSA-N 320.389 -0.288 30 20 DBED C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)CN1CCOCC1=O 1049522400 PRJSYLVYRUKJRT-KGLIPLIRSA-N 305.378 -0.456 30 20 DBED Cn1nnc2cc(C(=O)NC[C@H]3COCCN3CC#N)cnc21 1051025810 MNHFEHSMWFJMIB-NSHDSACASA-N 315.337 -0.683 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)[C@@H]1COCCN1CCCC 1051042239 CTZHXCLYZJMGLX-HOTGVXAUSA-N 323.437 -0.063 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)[C@H]1CCc2nnn(C)c2C1 1051088117 TYCGIYYHZFBNRQ-STQMWFEESA-N 317.393 -0.630 30 20 DBED N#Cc1nccnc1N1CC[C@H](NC(=O)c2cn[nH]c2)[C@@H](O)C1 1051626003 HQTBHXLWRDWDGD-JQWIXIFHSA-N 313.321 -0.559 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1C 1051922297 PXNCPVKUBYDCPF-VXGBXAGGSA-N 322.369 -0.914 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC2(CN(CCN3CCCC3=O)C2)C1 1053187958 UYPBAHJVALWJRV-ZDUSSCGKSA-N 320.393 -0.318 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)c3cn4c(n3)COCC4)CO2)C1 1053848027 QDSNRJJIIUXQBH-LLVKDONJSA-N 317.349 -0.490 30 20 DBED COc1cnc(C(=O)N[C@H]2COC3(C2)CN(CC#N)C3)nc1 1053865739 HYMRDDAWVHLSOO-SNVBAGLBSA-N 303.322 -0.418 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)Cc3cncn3C)CO2)C1 1053983465 YZAIXPJTJLRQQX-ZDUSSCGKSA-N 302.378 -0.055 30 20 DBED C#CCCCC(=O)N1C[C@H]2CN(C(=O)[C@H]3CCNC3=O)C[C@H]2C1 1055310940 WPHKLVNXMLLIEB-MJBXVCDLSA-N 317.389 -0.157 30 20 DBED CN1CCO[C@@H](C(=O)N2CCN(c3nccnc3C#N)CC2)C1 1055750741 FJTCGLHAKDHYHM-CYBMUJFWSA-N 316.365 -0.673 30 20 DBED N#Cc1nccc(N2C[C@H]3C(NC(=O)c4cc[n+]([O-])cc4)[C@@H]3C2)n1 1056100309 NPKMPTAXMPNJDA-VXGBXAGGSA-N 322.328 -0.154 30 20 DBED N#Cc1cnc(N[C@@H]2CCN(C(=O)[C@H]3CNC(=O)N3)C2)c(F)c1 1056764423 VBYPHFMPGMMURE-MWLCHTKSSA-N 318.312 -0.213 30 20 DBED C=CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)c1cnccn1 1056837056 PYDCMPYQRXNKTN-LBPRGKRZSA-N 322.365 -0.382 30 20 DBED N#Cc1cncc(N2CCCN(C(=O)Cn3ncnn3)CC2)n1 1057183572 CXOKMTBOMXOTCJ-UHFFFAOYSA-N 313.325 -0.926 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)CN(CC)CC 1057659761 YPKKGRMWKWTEMO-UHFFFAOYSA-N 315.414 -0.532 30 20 DBED C=C(C)CCC(=O)N(CCO)CCNC(=O)[C@H](C)CC(N)=O 1057807774 QINDXLPSTWZOQS-GFCCVEGCSA-N 313.398 -0.209 30 20 DBED N#Cc1ccc(N2CCC(NC(=O)[C@@H]3CNC(=O)N3)CC2)cn1 1057934357 YVIKXWZWVJLEJK-ZDUSSCGKSA-N 314.349 -0.280 30 20 DBED C=C(C)C(C)(C)C(=O)N(CCO)CCNC(=O)c1nc[nH]n1 1058288006 MJVDQUACFCUECO-UHFFFAOYSA-N 309.370 -0.042 30 20 DBED COC(=O)[C@H]1C[C@H]1C(=O)N[C@H]1C[C@@H](N=c2cc[nH]c(C#N)n2)C1 1059576602 OGGVSKHBXDGCSK-YTWAJWBKSA-N 315.333 -0.362 30 20 DBED C=CCCC(=O)NC[C@H]1COCCN1C(=O)C1(NC(N)=O)CC1 1061407639 RDPYUVXANVGXMK-NSHDSACASA-N 324.381 -0.503 30 20 DBED C=CCO[C@H](C)C(=O)N1CCOC[C@@H]1CNC(=O)c1ncc[nH]1 1061557881 FJYDALNHVSDJFL-NEPJUHHUSA-N 322.365 -0.042 30 20 DBED CC(C)C#CC(=O)NC[C@H]1COCCN1C(=O)Cn1cccn1 1061563239 BGBDJABJMIHVRF-AWEZNQCLSA-N 318.377 -0.114 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)Cc1ncc[nH]1 1061815664 AGAOYDAKSTUXSS-MNOVXSKESA-N 305.338 -0.545 30 20 DBED C[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1C#N)n1cncn1 1062477073 FHUQLJDCFZKGOL-WOPDTQHZSA-N 324.348 -0.010 30 20 DBED C=C[C@](C)(O)CC(=O)NC1(CNC(=O)Cn2nccn2)CCC1 1063179479 WBPPQWGSANJWQI-AWEZNQCLSA-N 321.381 -0.240 30 20 DBED N#Cc1ccc(N2CC[C@@H]3CN(C(=O)CC(N)=O)CC[C@H]32)nn1 1064000181 RVRRFDXLPQTVSQ-ZYHUDNBSSA-N 314.349 -0.349 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)[C@@H]2CCCNC2=O)CCC1 1064304756 HYRMGASDQOOAFO-WDEREUQCSA-N 306.366 -0.173 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2ccn(C)n2)CCO1 1065170079 VMKBNZVYVFAVCN-GFCCVEGCSA-N 322.365 -0.420 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CN(C(=O)c2cncn2C)CCO1 1065314760 YQDPOXRVWHEFQM-WDEREUQCSA-N 305.338 -0.463 30 20 DBED CCN(C)CCC(=O)NC[C@H]1CN(C(=O)[C@H](C)C#N)CCO1 1065557508 RSIJMLBXGDSRCC-OLZOCXBDSA-N 310.398 -0.169 30 20 DBED C[C@H]1CN(C(=O)c2nnn(C)n2)C[C@@H]1N=c1cc[nH]cc1C#N 1067177293 ZACUOHOMDFBZRH-CABZTGNLSA-N 312.337 -0.529 30 20 DBED C=C(C)CCC(=O)N[C@H]1COC2(C1)CN(C(=O)CC(N)=O)C2 1068890427 USSQEWZEWYZHMO-LLVKDONJSA-N 309.366 -0.296 30 20 DBED C#CCN[C@@H]1CN(C(=O)Cn2ccnc2)C[C@H]1c1cn(C)cn1 1070570603 YMKULUOMBZPHDL-DZGCQCFKSA-N 312.377 -0.166 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CCCN(C(=O)Cn2ncnn2)C1 1070775940 YSFOGMQMEMXRHM-NWDGAFQWSA-N 322.369 -0.629 30 20 DBED C=CCOCC(=O)N1C[C@@H](C)[C@@H](NC(=O)CCc2nc[nH]n2)C1 1071809763 YLFIURUBBKSHJG-NEPJUHHUSA-N 321.381 -0.097 30 20 DBED C[C@H]1CC[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)CN1CC#N 1071860242 HEEYOAJFBLZCJP-WDEREUQCSA-N 319.365 -0.810 30 20 DBED CC1(NC(=O)CC(N)=O)CCN(C(=O)c2cc(C#N)c[nH]2)CC1 1072932748 YLPIXCAXHAUBER-UHFFFAOYSA-N 317.349 -0.127 30 20 DBED CN(C)c1cnc(C(=O)NC[C@H]2CN(CC#N)CCCO2)cn1 1073603840 QAJWRUHHVDXKOJ-LBPRGKRZSA-N 318.381 -0.113 30 20 DBED CC(=O)NCC(=O)N[C@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1C 1073655990 KKYPDUWTMJTJJG-FZMZJTMJSA-N 305.378 -0.111 30 20 DBED CN1CCCC[C@H](C(=O)NC[C@H]2CN(CC#N)CCCO2)C1=O 1073854147 XQOFCUIRPGRSIM-UONOGXRCSA-N 322.409 -0.024 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](NCC(=O)N2CCOCC2)[C@@H]1C 1074570130 QGKYZLVOXSBXML-AVGNSLFASA-N 308.382 -0.416 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H](C)CCNC(=O)C1(NC(N)=O)CC1 1076204751 WSPMOMVLSBKYQK-QWRGUYRKSA-N 324.381 -0.763 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC(=O)N(CC(C)C)C2)C1 1077087384 GTIGPVAZLFENQH-BFHYXJOUSA-N 309.410 -0.162 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2OCCc3ccccc32)C1 1077490150 UXMWXBMFCDJEAX-RBSFLKMASA-N 301.346 -0.015 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCn3c(cnc3C)C2)C1 1077683115 ZWBJLLLKRWULIJ-NUEKZKHPSA-N 316.405 -0.061 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)c2ccc(C(N)=O)nc2)C1 1078273105 ARTUNOWYPANZAZ-CHWSQXEVSA-N 304.350 -0.469 30 20 DBED CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)[C@@]2(C)CNC(=O)C2)C1 1080420074 MTVODCDSRKIFAS-ZUZCIYMTSA-N 306.366 -0.268 30 20 DBED C=CCN1C[C@@H](NC(=O)C2(n3cnnn3)CCOCC2)[C@H](C)C1 1080593377 YSOCJXXVRIPXIX-CHWSQXEVSA-N 320.397 -0.199 30 20 DBED CC(C)(C)C#CC(=O)NC1(CO)CCN(C(=O)CC(N)=O)CC1 1080854672 ZXSDTZKDNSYLME-UHFFFAOYSA-N 323.393 -0.619 30 20 DBED CC#CCN1C[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)[C@H](C)C1 1080872781 JXJVXGLYOMWLBI-DGCLKSJQSA-N 305.382 -0.650 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)Cc2ccnn2C)C[C@H]1O 1081336143 UJVNARNIEHNNIK-GXTWGEPZSA-N 320.393 -0.136 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)Cc2cc[nH]n2)C[C@@H]1O 1081347721 ZKVKKDFOJLFTOX-YPMHNXCESA-N 322.365 -0.910 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@H](CNC(=O)Cc2ccon2)C1 1081366623 ZMPHXLNKOCJOGJ-OCCSQVGLSA-N 319.361 -0.188 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)c2ccnn2C)C[C@H]1O 1081441021 CLEJODUZFBCHFH-TZMCWYRMSA-N 318.377 -0.227 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)Cc2cnc[nH]2)C[C@@H]1O 1081444880 OHBFTSXIIXXBAD-JSGCOSHPSA-N 318.377 -0.309 30 20 DBED C#CCN1C[C@@H](NC(=O)c2c[nH]nc2[C@@H]2CCOC2)[C@H](OC)C1 1081988157 XOFDAUDFSYYZDB-MRVWCRGKSA-N 318.377 -0.024 30 20 DBED CC#CCN1C[C@@H](NC(=O)[C@H]2CCCCC(=O)N2)[C@H](OC)C1 1082123109 UWIJPRBJASEEOU-MGPQQGTHSA-N 307.394 -0.116 30 20 DBED C=CCN1C[C@@H](NC(=O)Cn2nnnc2C(C)C)[C@H](OC)C1 1082215196 OWZBIHIBIIVOLY-VXGBXAGGSA-N 308.386 -0.202 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)C(=O)N1CC[C@H](C)C1 1083244365 TUMKSBTXVQFXKX-SOUVJXGZSA-N 319.405 -0.210 30 20 DBED C=CCN1CC[C@@H](N2C[C@H](O)[C@H](NC(=O)C3(C)CC3)C2)C1=O 1083480241 ZPYFCZJDTSCNLO-UPJWGTAASA-N 307.394 -0.265 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2cc(C(F)(F)F)nn2C)C1 1083489477 GLHKLZBDNWMUSU-SCZZXKLOSA-N 316.283 -0.153 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)Cc2ccnc(OC)c2)C1 1083782547 ZWFISQJMFDWOTH-KGLIPLIRSA-N 303.362 -0.183 30 20 DBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(CC(N)=O)C[C@@H]1O 1083848560 KKGVDUFUOLHHCT-OPDFLTKYSA-N 311.382 -0.996 30 20 DBED N#CCN1CC[C@@H]2CN(C(=O)C3CCS(=O)(=O)CC3)[C@@H]2C1 1084697496 NBZMYUVLEWFBNM-CHWSQXEVSA-N 311.407 -0.133 30 20 DBED C#CCN[C@H]1CCCCCN(C(=O)Cn2cnc(C(N)=O)n2)C1 1088315720 GKJGNWAGXCNNJM-LBPRGKRZSA-N 318.381 -0.629 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)c1nnn(C)n1)Nc1cncc(C#N)n1 1089451897 WDPHOFLAKVBECM-DTWKUNHWSA-N 315.341 -0.119 30 20 DBED N#CCN1CC[C@H](NC(=O)c2cccc(C(N)=O)c2)[C@@H](O)C1 1090365223 OKRSVVZFNKYLES-STQMWFEESA-N 302.334 -0.526 30 20 DBED CCCCOCC(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1O 1090388034 SCSCOYNSHSWNPO-CHWSQXEVSA-N 319.365 -0.169 30 20 DBED CC(C)(O)CC(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1O 1090413295 OLKJCVFBEHJWHD-NXEZZACHSA-N 305.338 -0.825 30 20 DBED Cc1cc(=O)oc(C)c1C(=O)N[C@H]1CCN(CC#N)C[C@@H]1O 1090416218 FXKMCYQCABZDBX-RYUDHWBXSA-N 305.334 -0.055 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2ccn3nnnc3c2)[C@@H](O)C1 1090486624 ONKUIKKPWNUZSH-STQMWFEESA-N 314.349 -0.687 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2cn(C)nc2OC)[C@@H](O)C1 1090490693 SVPQZPXBZPSKKY-STQMWFEESA-N 306.366 -0.383 30 20 DBED CN(C)c1ncccc1C(=O)N[C@H]1CCN(CC#N)C[C@H]1O 1090804162 GDARFJHOJHNQOG-QWHCGFSZSA-N 303.366 -0.164 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CN(c2ccc3nnnn3n2)C[C@H]1C 1092335976 BHGMXQSPEWOVHW-HBNTYKKESA-N 314.353 -0.133 30 20 DBED CC(=O)N[C@H](C)C(=O)N1CCN(c2cnc(C#N)cn2)CC1 1093130914 MLQTXHSSMSJANS-SNVBAGLBSA-N 302.338 -0.479 30 20 DBED Cc1cc(C#N)nc(NCCNC(=O)Cc2n[nH]c(C)n2)n1 1093607700 VDXTZJMSXUMPRK-UHFFFAOYSA-N 300.326 -0.146 30 20 DBED Cn1cc(C(=O)NCCNc2cnc(C#N)cn2)n(C)c1=O 1093683915 LPHRZXCYZOLTSO-UHFFFAOYSA-N 301.310 -0.773 30 20 DBED CNC(=O)C1(C(=O)NCCN=c2cc[nH]cc2C#N)CCC1 1093769838 XPJMVKUMACNMOE-UHFFFAOYSA-N 301.350 -0.180 30 20 DBED C#CCN1CC(n2cc(CNC(=O)[C@H]3C[C@@H](C)CO3)nn2)C1 1094306407 DCFAACIHGZCCCJ-BXUZGUMPSA-N 303.366 -0.191 30 20 DBED C#CCCN1CC(n2cc(CNC(=O)c3cccnn3)nn2)C1 1094329032 AAASFKHTXALCPR-UHFFFAOYSA-N 311.349 -0.122 30 20 DBED CC#CCN1CCN(C(=O)c2cc[nH]c2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094634504 ADTFKSTWYVUHDR-UONOGXRCSA-N 321.402 -0.039 30 20 DBED C#CCN1CCN(C(=O)c2cnco2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094649195 FWIMSKCKFJNVDC-WDEREUQCSA-N 309.347 -0.769 30 20 DBED N#Cc1c[nH]ccc1=NCCCNC(=O)C(=O)NCC(F)F 1094658854 USSVMXVTVGDRGJ-UHFFFAOYSA-N 311.292 -0.325 30 20 DBED N#CCN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN1CC(=O)NC1=O)C2 1095014115 DRUGMOOWBIZSGS-DCAQKATOSA-N 305.338 -0.969 30 20 DBED CC[C@@H](NC(C)=O)C(=O)N[C@@H]1CCN(c2nccnc2C#N)C1 1096485370 HMPRDYOJWXQVLL-VXGBXAGGSA-N 316.365 -0.042 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H](CNC(=O)Cn1cncn1)C1CC1 1096676984 VNTDSYGABZUJAS-AWEZNQCLSA-N 311.349 -0.026 30 20 DBED CC(=O)NCC(=O)N[C@H]1C[C@@H](N=c2cc(C)[nH]cc2C#N)C1 1097143027 HDFSLLJTAIXUFX-BETUJISGSA-N 301.350 -0.121 30 20 DBED C[C@H](CCNC(=O)c1cnnn1C)N=c1cc[nH]c(C#N)n1 1099078518 YXAOERZJHFFKSF-SECBINFHSA-N 300.326 -0.481 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H]2CC[C@H]1[C@H]1CN(CC#N)C[C@H]21 1099468228 KXADALUYZPJIPR-KBXIAJHMSA-N 314.389 -0.182 30 20 DBED N#Cc1cc(C(=O)N[C@H]2CCN(CCOCCO)C[C@H]2O)c[nH]1 1099783871 XUKZVFUYORXYFQ-UONOGXRCSA-N 322.365 -0.940 30 20 DBED C#CCCCC(=O)N[C@H]1CCN(Cc2nnnn2C)C[C@H]1O 1099806455 BBZSNRDGEZIMAC-NWDGAFQWSA-N 306.370 -0.935 30 20 DBED CC(C)(C)C#CC(=O)N[C@@H]1CCN(CCn2cncn2)C[C@H]1O 1099830343 QCCYXJPMQRVFLE-ZIAGYGMSSA-N 319.409 -0.121 30 20 DBED CC#CCN1CC[C@H](NC(=O)CCc2ccn(C)n2)[C@H](O)C1 1099860919 JZDOBYJIIWDABU-LSDHHAIUSA-N 304.394 -0.073 30 20 DBED N#CCN1CC[C@@H](NC(=O)CCc2ccc(O)nc2)[C@H](O)C1 1099970408 XBTFCYXLXAJWSV-CHWSQXEVSA-N 304.350 -0.205 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCN(C)c1ccc2nnnn2n1 1100042540 DEPHVFKLQWSPDK-CYBMUJFWSA-N 305.342 -0.601 30 20 DBED CC#CCN1CC[C@H](NC(=O)CCc2cnn(C)c2)[C@H](O)C1 1100125435 YMHIHYUBCVEHBI-LSDHHAIUSA-N 304.394 -0.073 30 20 DBED C=CCn1cc(C(=O)NCCN(C)c2ccnc(C#N)n2)nn1 1100360179 AWTHZQHEFMZTFH-UHFFFAOYSA-N 312.337 -0.008 30 20 DBED N#CCNC1CC(CNC(=O)CCCN2C(=O)CCC2=O)C1 1100382160 KRRHWPIBFRAVLS-UHFFFAOYSA-N 306.366 -0.076 30 20 DBED CN(CCNC(=O)c1cc2n(n1)CCO2)c1cnc(C#N)cn1 1100382759 SOADCSNCGDQWCA-UHFFFAOYSA-N 313.321 -0.197 30 20 DBED CCc1nc(C#N)cc(N(CC)CCNC(=O)CC(N)=O)n1 1100474757 IOTODVBXCPVLOK-UHFFFAOYSA-N 304.354 -0.271 30 20 DBED CC(C)OCC(=O)N1C[C@H]2CN(CC(=O)NCC#N)C[C@@]2(C)C1 1101154114 SCUYRPDLKPQTGE-CJNGLKHVSA-N 322.409 -0.169 30 20 DBED CCCN(CCNC(=O)Cn1ncnn1)c1ncccc1C#N 1101191279 ZXMJGWBUWDBMIY-UHFFFAOYSA-N 314.353 -0.027 30 20 DBED Cc1cc(=NCCN(C)C(=O)[C@H](C)NC(N)=O)c(C#N)c[nH]1 1101557548 UQZDMWGAYYZIHQ-JTQLQIEISA-N 304.354 -0.389 30 20 DBED CNC(=O)NC(C)(C)C(=O)N(C)CCNc1cncc(C#N)n1 1101644176 FNIFXIXDEVGSKX-UHFFFAOYSA-N 319.369 -0.074 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(C[C@@H](O)COC)C[C@H]1C 1101961902 MNCUCPAMDQPUIV-RBSFLKMASA-N 312.410 -0.282 30 20 DBED C#CCNC(=O)CC(=O)N(C)[C@@H]1CCN(c2ccc(C)nn2)C1 1102693828 NZMPAEZDAHYGLN-CYBMUJFWSA-N 315.377 -0.038 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)CNc1cnc(C#N)cn1 1104177215 OZAVTMCYGHYPHC-KOLCDFICSA-N 317.353 -0.464 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)c1cnnc(O)c1 1104715609 LRJQFRPWDYMHLQ-VIFPVBQESA-N 313.321 -0.162 30 20 DBED CN(CCN(C)c1ccncc1C#N)C(=O)[C@@H]1CNC(=O)N1 1105541303 SVPKWALVAYMTFG-NSHDSACASA-N 302.338 -0.471 30 20 DBED C=CCCC(=O)NC[C@@H](O)CN=c1cc[nH]c(C(=O)OC)n1 1105740271 WLJPXXRAKRTVMK-JTQLQIEISA-N 308.338 -0.460 30 20 DBED CCOCCC(=O)NC[C@H](O)CNc1nc(C)cc(C#N)n1 1105741519 HFVSDVFAYARDTE-LBPRGKRZSA-N 307.354 -0.028 30 20 DBED Cc1cc(C#N)nc(NC[C@H](O)CNC(=O)[C@H]2CCCN2C)n1 1105754560 HIKZEXSZPBCEAE-CHWSQXEVSA-N 318.381 -0.360 30 20 DBED CNC(=O)CCCC(=O)NC[C@@H](O)CNc1nccnc1C#N 1105795299 XXFUAGNPLCZFRM-SNVBAGLBSA-N 320.353 -0.846 30 20 DBED Cc1ccnc(C(=O)NC[C@@H](O)CNc2nccnc2C#N)n1 1105804611 WLOVFJMRODFQHC-JTQLQIEISA-N 313.321 -0.351 30 20 DBED CO[C@H](C(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1)C1CC1 1105834023 VCYPEBJQCVIOEG-MFKMUULPSA-N 305.338 -0.916 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)[C@@H]2COC(=O)N2)C[C@H]1C 1106075386 GUYUCTPWEJYCRX-UPJWGTAASA-N 309.366 -0.571 30 20 DBED C[C@@H](C(=O)N[C@H](C)CCN=c1cc[nH]c(C#N)n1)n1cncn1 1106278459 VYMJOQAYPNICQH-MNOVXSKESA-N 314.353 -0.070 30 20 DBED N#CCSCC(=O)NC/C=C\CNc1nccn2nnnc12 1107049583 UFXDWFJOAYCKFX-UPHRSURJSA-N 318.366 -0.140 30 20 DBED C#CCCN1CC(n2cc(CNC(=O)CCOCC#C)nn2)C1 1107171233 ORQYSRQJYLJERO-UHFFFAOYSA-N 315.377 -0.186 30 20 DBED N#Cc1nc(=NC/C=C/CNC(=O)[C@@]2(F)CCOC2)cc[nH]1 1107482719 QSLSEHHTFVHVCV-VSZDKKFSSA-N 305.313 -0.017 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)[C@H]2CCCCN2C(N)=O)C1 1108334521 MJMMVIXSIZGDQA-CZUORRHYSA-N 322.409 -0.240 30 20 DBED C[C@H](CN(C)c1ccc(C#N)nn1)NC(=O)[C@H]1CCCC(=O)N1 1109132114 YSWUAWDMNVQMPJ-ZYHUDNBSSA-N 316.365 -0.042 30 20 DBED CC(=O)N(C)CC(=O)N[C@H]1[C@H]2C[C@H]1N(c1ccc(C#N)nn1)C2 1109682413 DNSVFVBNWBPPGO-NVBFEUDRSA-N 314.349 -0.480 30 20 DBED N#Cc1cccnc1N1C[C@H]2C[C@H]1[C@@H]2NC(=O)CCn1cnnn1 1109718791 ZTGNMQCZDPUMNJ-MBNYWOFBSA-N 324.348 -0.277 30 20 DBED N#Cc1nc(=NC[C@H](NC(=O)Cn2ccnc2)C2CC2)cc[nH]1 1109866371 ZEPMPMQERKQUTL-LBPRGKRZSA-N 311.349 -0.026 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCOCC 1110372399 HEBKXRKPXFTKPA-MCIONIFRSA-N 307.394 -0.116 30 20 DBED C[C@]1(NC(=O)Cn2cncn2)CCN(c2nccnc2C#N)C1 1110760448 MHSIJSBDYGCYDP-AWEZNQCLSA-N 312.337 -0.275 30 20 DBED COCC(=O)NC[C@]1(O)CCN(c2nc(C)cc(C#N)n2)C1 1111033632 UMBZAGMHTAOTDD-CQSZACIVSA-N 305.338 -0.640 30 20 DBED N#Cc1cncc(N2CC[C@](O)(CNC(=O)c3cn[nH]c3)C2)n1 1111050982 SJYCPSBKKJXMEF-AWEZNQCLSA-N 313.321 -0.557 30 20 DBED CN(C(=O)CC(C)(C)O)[C@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1111181468 XQGVRORLKAVAPK-RYUDHWBXSA-N 319.365 -0.483 30 20 DBED Cc1cc(NCCN(CCO)C(=O)[C@H](C)C#N)n2ncnc2n1 1111436148 SZRYCUSMLSWHOB-SNVBAGLBSA-N 317.353 -0.175 30 20 DBED N#Cc1nccnc1NCCN(CCO)C(=O)CN1CCCC1 1111476499 LEKVVQXSWLYQEY-UHFFFAOYSA-N 318.381 -0.323 30 20 DBED Cc1cc(N2C[C@H](CNC(=O)CSCC#N)[C@@H](O)C2)ncn1 1112725218 LAWUKFKAVXPFTO-RYUDHWBXSA-N 321.406 -0.045 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)C[C@@H]2COC(=O)C2)CC1 1112767623 YWJRLHUTZXEVBQ-STQMWFEESA-N 321.377 -0.778 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)[C@@H](CC)N(C)C)CC1 1113010852 PIDXFUBYJQSMBG-UONOGXRCSA-N 308.426 -0.391 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)[C@@H]2CCN(C)C2=O)CC1 1113221662 ZWPWOBUUTAMNEW-QWHCGFSZSA-N 322.409 -0.700 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)C3=COCCO3)[C@H]2C1 1113811399 AXXZPXRUJJXLFA-YABSGUDNSA-N 307.350 -0.777 30 20 DBED Cc1nnsc1C(=O)NC1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]12 1113838948 KOUTVRUCWFWXPH-RKDXNWHRSA-N 320.378 -0.854 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)c3ncoc3C)[C@H]2C1 1113952528 FPTACIXNZSPBNK-WUWHUORYSA-N 316.361 -0.219 30 20 DBED C[C@H]1CCN(c2ccc(C#N)nn2)C[C@H]1NC(=O)CC(N)=O 1114008345 PNCCVKDARFDZQM-GXSJLCMTSA-N 302.338 -0.445 30 20 DBED C=CCOCC(=O)NC1[C@H]2CN(CCNC(=O)NC(C)C)C[C@H]12 1114048229 UPNPEEGDKNYMQH-STQMWFEESA-N 324.425 -0.057 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3n[nH]c(C)c3C)[C@H]2C1 1114061684 VLYSSOVXDJDNHJ-RYUDHWBXSA-N 315.377 -0.564 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)Cc3cc[nH]n3)[C@H]2C1 1114087979 GIAZAEPAMXYZEI-DRZSPHRISA-N 315.377 -0.864 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)c3ocnc3C)[C@H]2C1 1114101232 LLOKUMWZTZMCKN-QWRGUYRKSA-N 304.350 -0.055 30 20 DBED C=CCOCCN1C[C@H]2[C@H](NC(=O)[C@@H]3COCCN3C)[C@H]2C1 1114146816 JBAHCPOZIGBGBV-LJISPDSOSA-N 309.410 -0.434 30 20 DBED C=CCOCCN1C[C@H]2C(NC(=O)[C@@H]3CC(=O)N(C)C3)[C@@H]2C1 1114357693 HSSSUDKQOXFTNE-JHJVBQTASA-N 307.394 -0.286 30 20 DBED C=C(C)C(C)(C)C(=O)NC1[C@H]2CN(CC(=O)NC(N)=O)C[C@H]12 1114680191 FRZDRLGTLYTRBX-UWVGGRQHSA-N 308.382 -0.170 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3cnc(C)n3C)[C@H]2C1 1114731319 SPHPUPLPTBJPNL-JYAVWHMHSA-N 317.393 -0.309 30 20 DBED C[C@H](CN(C)C(=O)[C@H]1CN(C)CCO1)Nc1cncc(C#N)n1 1115664169 KBWAUNOEMXEICP-DGCLKSJQSA-N 318.381 -0.062 30 20 DBED C#CCSCCNC(=O)C(=O)N1CC(=O)N[C@@H]2CCCC[C@H]21 1117462497 YMYYULSKHVKYCL-VXGBXAGGSA-N 323.418 -0.261 30 20 DBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1118225332 DGYDVMKXCVHYRO-XEZPLFJOSA-N 321.377 -0.039 30 20 DBED C#Cc1cccc(Cn2nnnc2N2CCO[C@@H](C(N)=O)C2)c1 1120149084 MITHSAKWRAVTAE-CYBMUJFWSA-N 312.333 -0.607 30 20 DBED N#Cc1nccnc1N[C@@H](CO)CNC(=O)C1=COCCO1 1121003354 ITFCKCVOBSRZLS-SECBINFHSA-N 305.294 -0.875 30 20 DBED Cc1noc2ncnc(N[C@H](CO)CNC(=O)[C@@H](C)C#N)c12 1121213221 OEZRBGCKIZPNCZ-CBAPKCEASA-N 304.310 -0.025 30 20 DBED CCn1cc(C(=O)NC[C@H](CO)N=c2cc[nH]c(C#N)n2)cn1 1121228442 GYEGLSMJYRBVDZ-LLVKDONJSA-N 315.337 -0.811 30 20 DBED CNC(=O)[C@@H](C#N)C(=O)c1cnc2c(c1)c(O)nc(=O)n2C 1122415406 HOAWLYIYTGXJFW-QMMMGPOBSA-N 301.262 -0.897 30 20 DBED CN(C)CC1(C(=O)NC[C@H](CO)Nc2cnc(C#N)cn2)CC1 1122508134 JHSRMQIMFDSQIB-GFCCVEGCSA-N 318.381 -0.421 30 20 DBED Cc1ccnn1CC(=O)NC[C@@H](CO)Nc1ccc(C#N)nn1 1122686378 CAQAWEBOAGBPQT-LBPRGKRZSA-N 315.337 -0.558 30 20 DBED CC(=O)N[C@@H](C)C(=O)N(C)C[C@@H](O)CNc1cnc(C#N)cn1 1124059923 NJNTXYBFOUPFPB-CABZTGNLSA-N 320.353 -0.896 30 20 DBED C[C@H](C#N)C(=O)N(C)C[C@@H](O)CN(C)c1ncnc2[nH]cnc12 1124988781 NCWDJTSFRJGVMP-ZJUUUORDSA-N 317.353 -0.232 30 20 DBED CC(=O)NCC(=O)N(C)CCOCCNc1ccc(C#N)cn1 1127150650 GNWISPXUDIYUDY-UHFFFAOYSA-N 319.365 -0.024 30 20 DBED C#CCN1CCn2ncc(CNC(=O)CCC(=O)NCC)c2C1 1128251154 OGMKUMXXJDCIQZ-UHFFFAOYSA-N 317.393 -0.136 30 20 DBED C#CCN[C@@H]1CN(C(=O)C(C)(C)N(C)CC)C[C@@H]1n1ccnn1 1129918540 CMJVJMNZAPNXGF-KGLIPLIRSA-N 318.425 -0.017 30 20 DBED C#CCN1CC[C@H](Oc2cnccc2CNC(=O)CC(N)=O)C1 1130321785 ULIOFKRSKPAIGD-ZDUSSCGKSA-N 316.361 -0.341 30 20 DBED COc1ccc(C)cc1CC(=O)NCCNCC(=O)NCC#N 1130972586 PXHJKNATPDTOJU-UHFFFAOYSA-N 318.377 -0.108 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)[C@H]1C[C@@H](C)CO1 1131527711 ZVYICALNSWHTPJ-GHMZBOCLSA-N 312.370 -0.871 30 20 DBED N#Cc1ccc(CNCCNC(=O)CN2CCNC(=O)C2)cc1 1132317754 MBEZFJWPZBQBOR-UHFFFAOYSA-N 315.377 -0.804 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)CCCC(N)=O)CC[C@H]1C 1132533588 PACSXHMNWHGUFF-OLZOCXBDSA-N 322.409 -0.640 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@@H](C)c1cncnc1 1132819338 APLDANMKRSEDIK-RYUDHWBXSA-N 303.366 -0.576 30 20 DBED COCC#CCNCCNC(=O)[C@H]1CCc2nnn(C)c2C1 1132921865 XGPWRCSHEQALPI-LBPRGKRZSA-N 305.382 -0.724 30 20 DBED C=C(C)CN(CC)C(=O)CNCCNC(=O)c1cn(C)c(O)n1 1133335296 OPZTWVCPANDRLR-UHFFFAOYSA-N 323.397 -0.130 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)CN2CC[C@@H](C)C2)C1=O 1133845465 GNOKGJFKYBFBKT-KGLIPLIRSA-N 308.426 -0.179 30 20 DBED Cn1nncc1CN1CCCO[C@@H](CNC(=O)C#CC2CC2)C1 1149694168 JNYQYLIUZFTDBJ-HNNXBMFYSA-N 317.393 -0.064 30 20 DBED CC(C)C#CC(=O)NCCCNCCCN1C(=O)CNC1=O 1157638999 UKVKGZOAABTGEI-UHFFFAOYSA-N 308.382 -0.316 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1cccc2nccn12 1162428069 UWZZWBAYEYBCNN-UHFFFAOYSA-N 313.361 -0.207 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)Cn1cncc1C 1162646920 MDEICBBXAIJAKJ-CYBMUJFWSA-N 305.382 -0.575 30 20 DBED C#CCCNCCCC[C@@H](C)NC(=O)CNC(=O)CNC(C)=O 1171562582 JSZUHUYAEIEIGX-CYBMUJFWSA-N 324.425 -0.473 30 20 DBED COCC#CCN1CCO[C@H]2CCN(C(=O)CNC(C)=O)C[C@@H]21 1176892754 GVMNBFWLRMXOGO-GJZGRUSLSA-N 323.393 -0.926 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](NCc2cncn2C)[C@@H]1C 1178508377 AYLZSKJDWQOHSO-JSGCOSHPSA-N 317.393 -0.361 30 20 DBED CC(C)C#CC(=O)N1CC[C@H](NCCN2C(=O)CNC2=O)[C@@H]1C 1178653316 RJSTYSBNHCAGET-STQMWFEESA-N 320.393 -0.223 30 20 DBED Cc1nocc1C(=O)N1CC[C@H](NCC(=O)NCC#N)[C@@H]1C 1179459930 SAWYJGQYPGCGGP-JQWIXIFHSA-N 305.338 -0.185 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)C2CCN(C)CC2)[C@H]1C 1179471875 DTYVFYKTTHUGST-ZFWWWQNUSA-N 320.437 -0.343 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC[C@@H](NCCCS(C)(=O)=O)C1 1182203715 HDIQPTPAXASZHL-OCCSQVGLSA-N 318.439 -0.061 30 20 DBED C=CCNC(=O)CNC[C@H]1CCN(C(=O)c2nc[nH]n2)C[C@@H]1C 1185361138 VDTAIJZRSCIHPX-NWDGAFQWSA-N 320.397 -0.205 30 20 DBED C#CCNC[C@@H]1CN(C(=O)CNC(C)=O)CC12CCOCC2 1186237173 RMXASLGTBBVWQX-CQSZACIVSA-N 307.394 -0.400 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N1C[C@@H]2CCN(C(C)=O)[C@@H]2C1 1186620785 NAOWJEHJDHFKHN-KGYLQXTDSA-N 308.382 -0.061 30 20 DBED N#CCNC(=O)CN[C@@H]1CCN(C(=O)CCCN2CCCC2)C1 1188106245 FMGWAGGTCVKVDA-CQSZACIVSA-N 321.425 -0.307 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@H]1CCN(C(=O)Cc2cc[nH]n2)C1 1189507464 AVTVWKSPMSRZCQ-JSGCOSHPSA-N 317.393 -0.377 30 20 DBED CC(C)C#CC(=O)N1CC[C@@H](N(C)[C@@H](C)C(=O)NC(N)=O)C1 1190067290 LMARDRDREOVIOT-NWDGAFQWSA-N 308.382 -0.238 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](N(C)CCS(C)(=O)=O)C1 1190128172 IOWMHHUARIWTBE-CYBMUJFWSA-N 316.423 -0.396 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)c2c(C)nnn2CC)C1 1193690296 AXJGINUXMYMHNE-CHWSQXEVSA-N 323.397 -0.416 30 20 DBED CCc1nnsc1C(=O)N[C@@H]1CN(CC#CCOC)C[C@H]1O 1194475337 BIUGXGAIDZYEBB-VXGBXAGGSA-N 324.406 -0.475 30 20 DBED C#CCNC(=O)[C@H](C)N1CCCN(C(=O)c2ncn(C)n2)CC1 1195736157 GIDNHOJBAGHEJA-LBPRGKRZSA-N 318.381 -0.899 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C2(CCCC)CC2)C1 1195915100 RZVSQDITIQLVRK-ZIAGYGMSSA-N 321.421 -0.133 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)[C@]2(C)CCCOC2)C1 1197254269 OCLRDHGOIRUDMX-IIAWOOMASA-N 310.394 -0.386 30 20 DBED C#CCNC(=O)[C@H](C)N1CCCN(C(=O)[C@@H]2CCN(C)C2)CC1 1198098311 USERAVWRAPTNAK-LSDHHAIUSA-N 320.437 -0.390 30 20 DBED CCN(CCC#N)C(=O)CNC1CCN(C(=O)COC)CC1 1199001650 JAGOGTNORRKILO-UHFFFAOYSA-N 310.398 -0.024 30 20 DBED C=CCCCN1C[C@@H](O)[C@H](NC(=O)c2ccc(C(N)=O)nc2)C1 1199421317 CDYRCQLQNXKWAW-ZIAGYGMSSA-N 318.377 -0.078 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)c2ccco2)CCCO1 1199699665 ZZPOFVMYBSUMQF-CYBMUJFWSA-N 319.361 -0.150 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)[C@@H]2CC(=O)N(C)C2)CC1 1200851527 WHAKKNIJKNVACU-GFCCVEGCSA-N 322.409 -0.653 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC[C@@H](NCc2cnnn2C)C1 1208017816 GADBBKAWXAWNIG-CHWSQXEVSA-N 305.382 -0.066 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC[C@H](NCc2cnnn2C)C1 1208017817 GADBBKAWXAWNIG-OLZOCXBDSA-N 305.382 -0.066 30 20 DBED COCC#CCN[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(C)C2)C1 1208263720 ATTOONINSYJBJS-ZIAGYGMSSA-N 307.394 -0.305 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)[C@@H](COC)OC)[C@H](C)C1 1208542047 WKCRDSBQTABYSW-JHJVBQTASA-N 313.398 -0.614 30 20 DBED C#CCCN[C@@H]1CCCN(C(=O)c2cnc(O)n(C)c2=O)C1 1208900476 HOGGNCDNPXQSQQ-LLVKDONJSA-N 304.350 -0.297 30 20 DBED CNC(=O)[C@@H](C)N1C[C@@H](NC(=O)CSCC#N)[C@H](OC)C1 1211886155 DGZWHQLJDKMKFC-GMTAPVOTSA-N 314.411 -0.807 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2csnn2)C[C@H]1OC 1212262140 DIOQMMMZIGXYIM-CHWSQXEVSA-N 324.406 -0.107 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CCCNC(=O)C1CC1 1218065445 CSMMYCZPAIRRNG-LSDHHAIUSA-N 319.405 -0.162 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN([C@@H]2CCCN(C)C2=O)C[C@@H]1O 1219583902 PHMIXBGLKNGVBA-MCIONIFRSA-N 307.394 -0.572 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)c2[nH]nnc2C)CC1 1224002182 FSLWWKGPRTWJIR-UHFFFAOYSA-N 318.381 -0.696 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC(NC(=O)c2cnn[nH]2)CC1 1228133104 UAPFNFXSLJKKTR-SNVBAGLBSA-N 304.354 -0.863 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC(NC(=O)c2ncccn2)CC1 1229707488 NQTIDEXOTKJRGJ-GFCCVEGCSA-N 315.377 -0.191 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)c1cc[n+]([O-])cc1 1230655448 ZYUKKGPGLZZUQW-CQSZACIVSA-N 316.361 -0.784 30 20 DBED N#CCNC(=O)CNC(=O)C(=O)Nc1cccc2c1OCCO2 1261093285 GNODNKJALMVARU-UHFFFAOYSA-N 318.289 -0.848 30 20 DBED CC[C@H](C)n1ncc(NC(=O)C(=O)NCC(=O)NCC#N)c1C 1261093476 MDVGZZRGUZNKID-VIFPVBQESA-N 320.353 -0.143 30 20 DBED CS(=O)(=O)C1(CNC(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)CC1 1261448329 UEZIGIVXWZHTFD-VHSXEESVSA-N 313.379 -0.512 30 20 DBED C=CCN(CC=C)C(=O)C(=O)NCc1nc(O)cc(CN)n1 1261636722 UDDWZPFWWLQROU-UHFFFAOYSA-N 305.338 -0.542 30 20 DBED C#CC[C@H](NC(=O)[C@@H]1COCCN1CC(F)(F)F)C(=O)O 1262178141 RGWMFKRSXHCVOT-IUCAKERBSA-N 308.256 -0.158 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCC[C@@H](Cn2ccnn2)C1 1322966590 IJJLMEYTHFTBJE-CYBMUJFWSA-N 319.365 -0.717 30 20 DBED C#CCOCCNC(=O)C(=O)NCc1ccc(NC(C)=O)nc1 1323709506 BKXMHBXYKKJIOG-UHFFFAOYSA-N 318.333 -0.578 30 20 DBED CC(C)(CNC(=O)C(=O)Nc1cccc(C#N)n1)S(C)(=O)=O 1326038405 PKERTINBRILZJV-UHFFFAOYSA-N 324.362 -0.169 30 20 DBED CNC(=O)C(C)(C)CNC(=O)C(=O)Nc1ccc(C#N)cn1 1326273653 CWBDWLYFOMZGPT-UHFFFAOYSA-N 303.322 -0.220 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@@H]1CCS[C@H]1C 1326438457 OICKRTNGAVPWKA-VHSXEESVSA-N 320.436 -0.286 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CC[C@H](C(=O)OC)[C@H](C)C1 1328449234 CWBXOCSIORIFGP-UTUOFQBUSA-N 312.366 -0.039 30 20 DBED CCN(CCCO)C(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1329271737 CJZLNDZWKHUQKQ-ZDUSSCGKSA-N 308.382 -0.584 30 20 DBED C=CCOCCNC(=O)C(=O)N1CC[C@@H]2NC(=O)CC[C@@H]2C1 1330776554 ANUQWZYPDURLRC-NEPJUHHUSA-N 309.366 -0.568 30 20 DBED COCC#CC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1333883800 DHQQVQRKYBYOAZ-STQMWFEESA-N 315.391 -0.169 30 20 DBED CN1CCC[C@@H](NC(=O)CCN/C(O)=C2/N=CC=CC2=O)C1=O 1335315305 ZWCBTOAXXJGOHP-YAWLZAOSSA-N 320.349 -0.360 30 20 DBED N#C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](C3OCCO3)C2)C1 1336487937 FAYLTOUPNLPTKD-NWDGAFQWSA-N 307.350 -0.030 30 20 DBED N#C[C@H]1CCCN(C(=O)C(=O)N2CC[C@@H](C3OCCO3)C2)C1 1336487941 FAYLTOUPNLPTKD-VXGBXAGGSA-N 307.350 -0.030 30 20 DBED C=CCn1cnnc1S(=O)(=O)[C@@H](C)C(=O)NCCCOC 1340156177 GMMSWZYWPUXPNA-JTQLQIEISA-N 316.383 -0.221 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N[C@H](C)[C@H](C)N1CCOCC1 1347010584 AJTJJADJRYGIBN-FRRDWIJNSA-N 313.398 -0.471 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)N[C@@H]2CCN3CCCC[C@@H]23)C1 1349190597 WVQSYMBFTWLAMY-WWGRRREGSA-N 320.393 -0.394 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N[C@H]1C[C@@H](C(=O)OC)C1 1352636353 CJPRGVYTLFRQDX-UTUOFQBUSA-N 310.350 -0.401 30 20 DBED CC(=O)NC1CCN(C(=O)C(=O)N2CCC[C@@H](C#N)C2)CC1 1356236417 PPQIAHPFCQVCRL-LBPRGKRZSA-N 306.366 -0.124 30 20 DBED N#Cc1cn(CC(=O)N2CCC[C@@H]2c2cc[nH]n2)c(=O)nc1O 1362743241 URCDLBXFTHMNLN-LLVKDONJSA-N 314.305 -0.093 30 20 DBED N#Cc1ncn(CC(=O)N2CC[C@@](C(N)=O)(c3ccccc3)C2)n1 1362755288 BRGMGUOLIFWQMY-INIZCTEOSA-N 324.344 -0.195 30 20 DBED CC(C)(NS(C)(=O)=O)C(=O)NCC1(C#N)CCOCC1 1363074904 QEFBCVUFCACTAZ-UHFFFAOYSA-N 303.384 -0.249 30 20 DBED N#Cc1cn(CCNC(=O)NCc2ccccn2)c(=O)nc1O 1364473104 DXHVRKRFFDQPSJ-UHFFFAOYSA-N 314.305 -0.285 30 20 DBED COC(=O)[C@@H](NS(=O)(=O)c1cccc(F)c1C#N)[C@@H](C)O 1365735347 SCYREILQOXGQHN-HQJQHLMTSA-N 316.310 -0.102 30 20 DBED CC(=O)N1CC(C(=O)N2CCC[C@@H]2CNC(=O)[C@H](C)C#N)C1 1391073379 HPWTYHOUGFMOMU-ZWNOBZJWSA-N 306.366 -0.268 30 20 DBED C[C@@H](C#N)C(=O)NC1CCN(C(=O)CCn2cncn2)CC1 1396825655 XFRYBDJSQXDQJD-NSHDSACASA-N 304.354 -0.065 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN([C@H](C)c2nnnn2C2CC2)C1 1402318981 KNWDZXTWRPLLMN-VHSXEESVSA-N 319.369 -0.608 30 20 DBED N#Cc1nnc2ccccc2c1N1CCN(CC(N)=O)C(=O)C1 1413898330 ZFPBRQLBXFECPV-UHFFFAOYSA-N 310.317 -0.365 30 20 DBED C[C@H](C#N)C(=O)NC1CN(C(=O)CNC(=O)c2ccncc2)C1 1416048794 ZEQDJNHMKAATNU-SNVBAGLBSA-N 315.333 -0.702 30 20 DBED CNC(=O)NCC(=O)NC[C@H](C)N(C)C(=O)c1ccc(C#N)[nH]1 1424178972 HDLZVEVITLTBBO-VIFPVBQESA-N 320.353 -0.608 30 20 DBED C[C@H](C#N)C(=O)N1CCN(CCNC(=O)c2ncccn2)CC1 1427701624 GPOISSQRUNURGY-GFCCVEGCSA-N 316.365 -0.490 30 20 DBED CC[C@H](CNC(=O)CNC(=O)OC)NC(=O)c1ccc(C#N)[nH]1 1432611104 KWLRRJITNQJGFV-SECBINFHSA-N 321.337 -0.133 30 20 DBED N#Cc1cn(CCC(=O)NC[C@]2(O)CCSC2)c(=O)nc1O 1433780725 WEIRSPIEJDQWQY-CYBMUJFWSA-N 324.362 -0.805 30 20 DBED C[C@H](C#N)C(=O)NCC(C)(C)CN(C)C(=O)[C@H]1C[C@H]1C(N)=O 1442608973 MPNABLDQYUZBCL-MXWKQRLJSA-N 308.382 -0.132 30 20 DBED CNC(=O)NCC(=O)NCC1CN(C(=O)c2c[nH]c(C#N)c2)C1 1456512809 STBMZQMWNNGSIN-UHFFFAOYSA-N 318.337 -0.996 30 20 DBED CS[C@@H](C)C(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1 1523842757 LMVBIXUGMIJECW-DTWKUNHWSA-N 304.393 -0.296 30 20 DBED C[C@@H](CNC(=O)[C@@H](C)C#N)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 1573584867 GYBVCRWDTKYHDE-YUMQZZPRSA-N 316.325 -0.411 30 20 DBED C#CCNCC(=O)N1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 1574729371 JCGRTERYONBETJ-LBPRGKRZSA-N 313.423 -0.470 30 20 DBED C[C@H](OCc1cnn[nH]1)C(=O)NC[C@@H]1COCCN1CC#N 1575864807 YAFDCEMNZIQMOU-CMPLNLGQSA-N 308.342 -0.950 30 20 DBED C#CCN1CCC[C@@H](NC(=O)N2C[C@@H](C(=O)O)O[C@H](C)C2)C1 1588476670 PRMDFGPIJWBXBF-UPJWGTAASA-N 309.366 -0.033 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N1CCC([C@@H](O)C(=O)O)CC1 1589330619 LBMGDFCRFCQTST-MWLCHTKSSA-N 319.383 -0.520 30 20 DBED N#CCN1CCO[C@@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1592677765 JGUWPNJCVLKRAT-VIFPVBQESA-N 316.325 -0.851 30 20 DBED C[C@H]1[C@H](C(=O)O)CCN1C(=O)C(=O)N1CCN(CCC#N)CC1 1594140815 ZLEBUCVZZVVLOU-NWDGAFQWSA-N 322.365 -0.634 30 20 DBED C=CCN1CCC(NC(=O)C(=O)N[C@H]2C[C@@H](C(=O)O)C2)CC1 1602897690 CTQLMQLDKFPSKP-KLPPZKSPSA-N 309.366 -0.268 30 20 DBED CCN(CCNC(=O)[C@@H](C)C#N)c1nccnc1-c1nn[nH]n1 1604303410 WYUKWSDFKGPEQN-VIFPVBQESA-N 315.341 -0.241 30 20 DBED C#CC[C@H](NC(=O)c1cccc(S(=O)(=O)NC)c1)C(=O)O 1609078924 OVXOACZITCXALB-NSHDSACASA-N 310.331 -0.199 30 20 DBED N#Cc1ccc(S(=O)(=O)N2CCC[C@@H](O)[C@H]2C(=O)O)o1 1610630400 YNKIKPNHGFGMCJ-SCZZXKLOSA-N 300.292 -0.250 30 20 DBED CN(CCC#N)C(=O)CCN1CCC(S(N)(=O)=O)CC1 1645649717 FUEQXNPNJYHFMU-UHFFFAOYSA-N 302.400 -0.499 30 20 DBED COCC#CCN[C@@H](CNC(=O)[C@H](C)n1cncn1)C1CC1 1752460929 WKTNJFXFSRLNJX-JSGCOSHPSA-N 305.382 -0.027 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H](C)CNC(=O)c1ccc(O)nn1 1752859267 YWJFDJUPPZRCCE-ZJUUUORDSA-N 305.338 -0.972 30 20 DBED C#CCCN(CCC)CCNC(=O)Cn1nc(C)n(C)c1=O 1753149812 PXDPATXHGGFRTB-UHFFFAOYSA-N 307.398 -0.258 30 20 DBED N#CCNC(=O)CN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(Cl)no1 1753426495 CKKYGRQBUNQGNZ-IUCAKERBSA-N 323.740 -0.134 30 20 DBED C=CCNC(=O)CN1CCO[C@H](CNC(=O)CC(C)(C)O)C1 1753648998 AWRUKTCEEXQZSR-GFCCVEGCSA-N 313.398 -0.733 30 20 DBED C#CCNC(=O)CNC[C@@H](O)CNC(=O)c1ccoc1C(C)C 1753946819 JXOARAILUCOYMA-GFCCVEGCSA-N 321.377 -0.167 30 20 DBED COCC#CCN(C)C[C@@H](C)NC(=O)CCN1CCOCC1 1754338502 ZLIKEGZQQSXMMX-OAHLLOKOSA-N 311.426 -0.205 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@@H]1CCCN1C(=O)CCN(C)C 1754616580 IVIJSXHDCJINQT-KGLIPLIRSA-N 308.426 -0.343 30 20 DBED C#CCCN1CCC(C)(NC(=O)CS(=O)(=O)N(C)C)CC1 1754631221 MZZJDHONTXHYLZ-UHFFFAOYSA-N 315.439 -0.128 30 20 DBED COc1c(O)nc(O)nc1C(=O)N1CC[C@@H]([C@H](C)NCC#N)C1 1754805907 VCPJALBDXSGANV-DTWKUNHWSA-N 321.337 -0.140 30 20 DBED C=CCCCN1C[C@H]2CN(C(=O)C[C@@H]3NC(=O)NC3=O)C[C@H]2C1 1754842956 SVEURZFVEVNYBR-XQQFMLRXSA-N 320.393 -0.059 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNCC(=O)N(C)C1CC1 1754882140 SJCTVECKEZMQIT-UHFFFAOYSA-N 309.410 -0.323 30 20 DBED C#CCNCC[C@@H]1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)C1 1754933920 FCOODPCOFFTBOZ-GFCCVEGCSA-N 318.377 -0.841 30 20 DBED C=CCCOCC(=O)NC[C@H]1COCCN1Cc1nnn(C)n1 1754973787 GOMUNOYKFKUQHL-LBPRGKRZSA-N 324.385 -0.880 30 20 DBED C=CCN1CCOC[C@H]1CNC(=O)C(=O)Nc1cc(C)on1 1754975419 YKNBZMJKFLDRMR-LLVKDONJSA-N 308.338 -0.075 30 20 DBED C[C@H]1CN(C(=O)c2ccccn2)C[C@@H]1NCC(=O)NCC#N 1755105442 HEMRUBDOKVKMFJ-AAEUAGOBSA-N 301.350 -0.229 30 20 DBED N#CCN[C@H](CO)CNC(=O)c1cccc(-n2ccnn2)c1 1755649159 PCKJHOAHAXITFS-LBPRGKRZSA-N 300.322 -0.529 30 20 DBED CCS(=O)(=O)NCC(=O)NCC1=CCN(CC#N)CC1 1755888412 XWRDXANHBNKMHX-UHFFFAOYSA-N 300.384 -0.802 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1[C@@H]2CN(C(=O)CC(=O)N(C)C)C[C@H]12 1756209162 AUFPBAOMYHMXLR-KKOKHZNYSA-N 306.366 -0.555 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H](O)CN(C)C(=O)c1[nH]cnc1C 1756670357 XGQDAONQELRSLU-NWDGAFQWSA-N 322.365 -0.694 30 20 DBED CC(C)N(CCN(C)C(=O)[C@H]1CCNC1=O)C(=O)[C@H](C)C#N 1756699682 GTEBXPANDMGRLY-NEPJUHHUSA-N 308.382 -0.022 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@H](NC(=O)C[C@H](C)NC(N)=O)C1 1756997612 WTCVDOPHNRDVTM-HBNTYKKESA-N 312.370 -0.913 30 20 DBED C#CCOCCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccns2)C1 1757003589 JZDVEOFKZDLSQT-GHMZBOCLSA-N 323.374 -0.516 30 20 DBED C=CCCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCN(C)C2=O)C[C@H]1OC 1757120842 ODAPLAGFWRHLAU-JHJVBQTASA-N 323.393 -0.227 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H]1CCN(C(=O)CC(=O)NC)[C@@H]1CC 1757442217 CJCBZWVDXZSJDT-FRRDWIJNSA-N 323.393 -0.344 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)/C=C(/C)C(=O)O)CCO2 1783055079 MQONDJPCGLFLNR-MEODZPNASA-N 306.318 -0.520 30 20 DBED CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NCCC#N 1795597762 DLICHXXUMYUMHN-BTTYYORXSA-N 322.409 -0.122 30 20 DBED N#CCC(=O)N1CC2(CCCN2C(=O)CN2CCOCC2)C1 1842824498 HYDBYSORUSNBOG-UHFFFAOYSA-N 306.366 -0.564 30 20 DBED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)c2cnc(O)[nH]2)C1 1844505048 ODSIFPRAABSYBB-UHFFFAOYSA-N 318.289 -0.980 30 20 DBED CN(C)CC(=O)N1CCN(CC(=O)N[C@@](C)(C#N)C2CC2)CC1 51762024 OOPQKKIOMBEQGZ-INIZCTEOSA-N 321.425 -0.499 30 20 DBED CC(C)N1C[C@H](Nc2c(C#N)c(=O)n(C)c(=O)n2C)CC1=O 60362890 SKNWQBWNGHYYJF-SECBINFHSA-N 305.338 -0.623 30 20 DBED C[C@](O)(CNS(=O)(=O)c1c(F)cc(C#N)cc1F)C(=O)O 263508641 WROWNTAIBQVWMF-NSHDSACASA-N 320.273 -0.050 30 20 DBED C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCNC(=O)C1 266501518 CYZNCXWBTRKJNB-UHFFFAOYSA-N 319.292 -0.265 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H](O)[C@H](C)CC)C1=O 268655495 XBUZZVRPNDVVER-ZJUUUORDSA-N 311.338 -0.514 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](CO)CC(C)C)C1=O 270347440 NKPRFIXIQCHPQE-SNVBAGLBSA-N 311.338 -0.514 30 20 DBED C[C@@H](O)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)nc2)CC1 270825874 PMWVNZFQOWMJJS-SNVBAGLBSA-N 324.362 -0.833 30 20 DBED CC#CC(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 277548453 VZTCMFFZAOSHOJ-UHFFFAOYSA-N 321.358 -0.231 30 20 DBED CNS(=O)(=O)c1ccc(Cl)c(C(=O)NCC#CCO)c1 282852151 GIZVGTAVIRXNIR-UHFFFAOYSA-N 316.766 -0.026 30 20 DBED N#Cc1cncc(S(=O)(=O)NCCCN2CCNC(=O)C2)c1 289414342 HFXPVFGFRNCYPR-UHFFFAOYSA-N 323.378 -0.947 30 20 DBED C=C[C@@H](CO)NS(=O)(=O)c1ccc(S(=O)(=O)NC)cc1 290059440 BSOHGIYGQPXTSZ-VIFPVBQESA-N 320.392 -0.580 30 20 DBED CN1CCN(C)[C@H](C/N=C(/O)NCC(=O)N2CCCCC2)C1 329485114 QPYDNFDDONEYDO-CYBMUJFWSA-N 311.430 -0.252 30 20 DBED CC(C)N1CC[C@H](/N=C(/O)c2cn(CC(=O)N(C)C)nn2)C1=O 329713608 RSTQCXLKLLNLLY-JTQLQIEISA-N 322.369 -0.320 30 20 DBED C[C@@H]1CCN(C(=O)CNc2ccc(C#N)cn2)CCS1(=O)=O 330248610 GFXGWPKVTPYVTP-LLVKDONJSA-N 322.390 0.401 30 20 DBED COC(=O)C1(O)CCN(CC(=O)N/C(O)=N/CC(C)C)CC1 330601626 IJEWKFNLERMNBN-UHFFFAOYSA-N 315.370 -0.328 30 20 DBED CCN1CCN(C(=O)[C@H](C)N(C)CC/N=C(/O)N(C)C)CC1 330615423 CKJXYKJTSQVNTH-ZDUSSCGKSA-N 313.446 -0.054 30 20 DBED C=CCNC(=O)CNS(=O)(=O)N1CCC(C(=O)OC)CC1 330671340 FEWFNSGOXFAFGZ-UHFFFAOYSA-N 319.383 -0.992 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)NCC1(CS(C)(=O)=O)CC1 331741674 GEIVGTIWIVQJAB-JTQLQIEISA-N 323.440 -0.120 30 20 DBED CN(C)[C@@H]1CCC[C@H](NS(=O)(=O)N2CCO[C@@H](C#N)C2)C1 336885169 FJARVYRCURYAOE-XQQFMLRXSA-N 316.427 -0.082 30 20 DBED CCN(CCC#N)S(=O)(=O)NCc1ccc(C(N)=O)nc1 336953874 WZIHQVFEFSIVQB-UHFFFAOYSA-N 311.367 -0.250 30 20 DBED COC(=O)[C@@H]1CN(S(=O)(=O)N(C)[C@@H](C)CC#N)CCO1 337871902 RQMUZZZZEZZUGN-UWVGGRQHSA-N 305.356 -0.661 30 20 DBED N#Cc1ccc([C@H](C(N)=O)N2CCC[C@@H](S(N)(=O)=O)C2)cc1 347525559 CJQCRARQRPYXRN-CHWSQXEVSA-N 322.390 -0.162 30 20 DBED COC(=O)CCCS(=O)(=O)NCCn1cnc(C#N)n1 352638685 WGDVGFIFPAXTLY-UHFFFAOYSA-N 301.328 -0.978 30 20 DBED C=C[C@H](CO)NC(=O)C(=O)Nc1cccc(-n2nnnc2C)c1 354681784 ASVPBCAALOKTKQ-SNVBAGLBSA-N 316.321 -0.428 30 20 DBED C#CCOCCC(=O)N[C@H]1CCN(CCN2CCOCC2)C1 361799153 MDYKLNDOZNSFMK-HNNXBMFYSA-N 309.410 -0.451 30 20 DBED COc1cc(C#N)ccc1S(=O)(=O)NC[C@@H]1CNCCN1C 420460045 RRCLELZKJNENGS-LBPRGKRZSA-N 324.406 -0.251 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](CN)C2CCCC2)C1=O 423960691 NKJMKTWJDLWMKY-NSHDSACASA-N 322.365 -0.403 30 20 DBED C#C[C@H](NC(=O)CNS(=O)(=O)c1cn(C)c(C)n1)C(C)C 490628336 HKINQZONETXLCH-NSHDSACASA-N 312.395 -0.219 30 20 DBED COC(=O)c1cc(C#N)c(=O)n(CCCOC(=O)NC(N)=O)c1 491540311 RVUWMLRUKNWWII-UHFFFAOYSA-N 322.277 -0.298 30 20 DBED C[C@]1(C#N)CCCN(C(=O)NCCOCCS(N)(=O)=O)C1 596622823 IVYRCNHIZREYIH-GFCCVEGCSA-N 318.399 -0.373 30 20 DBED N#C[C@H](CO)NC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 597744191 OXGVZIMEMBLMML-SNVBAGLBSA-N 321.293 -0.605 30 20 DBED Cc1nn(C)c(N2CCN(C(=O)N[C@@H]3CCNC3)CC2)c1C#N 599938560 PYPLUEIJEPCHMR-GFCCVEGCSA-N 317.397 -0.206 30 20 DBED Cc1nc([C@@H]2COCCN2S(=O)(=O)N(C)CCC#N)no1 611534304 WVMHPSGTJQWSEB-JTQLQIEISA-N 315.355 -0.158 30 20 DBED CC#CC[C@@H](CO)NC(=O)[C@H](NS(=O)(=O)C1CC1)C(C)C 616505561 MZYVJXAGLTZAAI-WCQYABFASA-N 316.423 -0.017 30 20 DBED C=CCCNC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 617614232 RXWZRMORXMBOCZ-WDEREUQCSA-N 300.380 -0.286 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)N1CCO[C@H](CNC(C)=O)C1 668871491 JBDBHUQFCCEHLC-KGLIPLIRSA-N 311.382 -0.179 30 20 DBED C=CC[C@@H](NC(=O)NCCCN(C)S(C)(=O)=O)C(=O)O 692438242 DLVWVSRKLNNNQU-SECBINFHSA-N 307.372 -0.404 30 20 DBED C#CCCN1CCC(NC(=O)CN2CCCS2(=O)=O)CC1 743490525 QXTFADMSCWAGSY-UHFFFAOYSA-N 313.423 -0.374 30 20 DBED COC(=O)C[C@@]1(NS(=O)(=O)N(C)CCC#N)CCCOC1 770294989 LPYMJYCJVTXBDN-LBPRGKRZSA-N 319.383 -0.221 30 20 DBED C#C[C@@H](NC(=O)CN1CCS(=O)(=O)CC1)[C@@H]1CCCO1 772885800 ZDCTVGKGEKBQFV-NEPJUHHUSA-N 300.380 -0.986 30 20 DBED CN(C)c1c(C=NN=c2cc[nH]cc2)c(=O)n(C)c(=O)n1C 807982050 XEGSYZJXZLFCCQ-UHFFFAOYSA-N 302.338 -0.587 30 20 DBED Cn1ncc(C=NNC(=S)NCCN2CCOCC2)c1N 814717048 NTCVDJFIOUWEEK-UHFFFAOYSA-N 311.415 -0.868 30 20 DBED C#CCOCCNC[C@@H](O)CN1C(=O)c2ccccc2C1=O 819231535 XZWGMGLCLHAMPN-GFCCVEGCSA-N 302.330 -0.117 30 20 DBED CC(=NNC1=NC(=O)C(=O)N1)c1ccc(-c2nn[nH]n2)cc1F 823954080 YNQKVJPLRBBUMZ-UHFFFAOYSA-N 316.256 -0.668 30 20 DBED COCCCNC(=O)[C@H](C#N)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 826156058 ODTUDAHSGQLECX-SECBINFHSA-N 317.309 -0.330 30 20 DBED C=CCn1cc(C(=O)OCC(=O)N[C@H](C(=O)OC)C(C)C)nn1 830120601 UQFOHDCXCKKWOB-LBPRGKRZSA-N 324.337 -0.065 30 20 DBED CC(C)(C#N)CS(=O)(=O)NC(=O)c1cc(C(=O)O)no1 833412503 AASOWUDIQAYCPV-UHFFFAOYSA-N 301.280 -0.018 30 20 DBED C=C[C@H](C)ONC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 846542867 DHHFPZWHHHUIDH-AXFHLTTASA-N 316.379 -0.356 30 20 DBED C#C[C@@](C)(CC)NCC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1 852097872 ZARZODIMSCPGFC-MFKMUULPSA-N 315.395 -0.609 30 20 DBED C=C(CN(C)C)C(=O)N1CCCC[C@H]1CNS(N)(=O)=O 854841589 ZUYRPFBGNPLXFS-NSHDSACASA-N 304.416 -0.722 30 20 DBED CC(C)[C@](C)(C#N)NC(=O)COC(=O)[C@@H]1CC[C@H](C(N)=O)O1 860410250 KLOJUMUHUQLUFN-BFVZDQMLSA-N 311.338 -0.383 30 20 DBED C#Cc1cccc(NC(=O)C(=O)NC[C@@H](O)CC(=O)OC)c1 862089887 VYWCISBMYJMPCS-LBPRGKRZSA-N 304.302 -0.353 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)CSCC#C)CC1 896181296 JAQCSWYTUGXVSS-UHFFFAOYSA-N 307.419 -0.364 30 20 DBED C#CCNC(=O)CCN1C(=O)N[C@H](CC(=O)N2CCCC2)C1=O 899870993 PSZHFDRDNWNBOZ-LLVKDONJSA-N 320.349 -0.941 30 20 DBED C#CCCN1CC[C@@H](NC(=O)Cn2c(O)nnc2O)[C@@H](C)C1 944344557 AYLWSGVPMQGEEH-WDEREUQCSA-N 307.354 -0.461 30 20 DBED O=C(NC[C@@H]1CN(C(=O)C#CC2CC2)CCO1)c1cnsn1 944495587 NHYFHNXKQWSLJN-LLVKDONJSA-N 320.374 -0.091 30 20 DBED N#Cc1ccc(C(=O)NC2CCN(C(=O)CC(N)=O)CC2)[nH]1 945602181 AVCQHGCBTJKUJQ-UHFFFAOYSA-N 303.322 -0.517 30 20 DBED N#CCN1C[C@H]2CCN(C(=O)CN3C(=O)CNC3=O)CC[C@H]2C1 946884746 LPACRSSGRTYYSZ-TXEJJXNPSA-N 319.365 -0.768 30 20 DBED N#Cc1cc(C(=O)N2C[C@H]3C[C@H]2[C@@H]3NC(=O)c2nc[nH]n2)c[nH]1 947755651 IZALMPVIMPMDEW-DVVUODLYSA-N 311.305 -0.353 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC2(CCN(CC(=O)N(C)C)CC2)C1 949052107 XHGBPWIRGZFZNL-ZDUSSCGKSA-N 322.409 -0.072 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]1CNC(=O)c1nccnc1C(N)=O 949880208 IRUYMMGRQRJEDL-IUCAKERBSA-N 316.321 -0.934 30 20 DBED C#Cc1ccc(C(=O)N(C)C2CN(C(=O)c3cn(C)nn3)C2)nc1 954912713 HKQADRFOJHOCEH-UHFFFAOYSA-N 324.344 -0.212 30 20 DBED C#CCN1C[C@H](CNC(=O)c2cn(CCOC)nc2C)[C@@H](O)C1 958064110 RVGDBIDCSDCBAA-ZFWWWQNUSA-N 320.393 -0.506 30 20 DBED N#Cc1c[nH]c(C(=O)N2C[C@H]3C[C@H](NC(=O)C(N)=O)C[C@H]2C3)c1 958147668 CPKOBOGOMUWYAA-INTQDDNPSA-N 315.333 -0.519 30 20 DBED C=CCCN1C[C@H]2[C@H](NC(=O)CN3C(=O)NC(=O)C3(C)C)[C@H]2C1 962197025 YONJTZUQEPCTLQ-PJXYFTJBSA-N 320.393 -0.061 30 20 DBED Cc1nn[nH]c1C(=O)N[C@@H]1COC2(C1)CN(C(=O)[C@@H](C)C#N)C2 965757761 OVJIUXHJSNAMCL-WPRPVWTQSA-N 318.337 -0.628 30 20 DBED CCN(C(=O)c1cnn[nH]1)C1CN(C(=O)c2ccc(C#N)[nH]2)C1 968124684 HWFOKCJHPARTSF-UHFFFAOYSA-N 313.321 -0.009 30 20 DBED CC#CCN1CC[C@H](C)[C@H](NC(=O)Cn2c(O)nnc2O)C1 968588969 OLCMHLVDIKHAAM-WDEREUQCSA-N 307.354 -0.461 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CN(C)CCO1 968736748 UHILOZSMCMPGGJ-IGQOVBAYSA-N 320.393 -0.322 30 20 DBED Cc1cc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)ccn1 969984163 GAIALKHSSQXJTK-WQAKAFBOSA-N 302.334 -0.149 30 20 DBED C#CCN[C@@H]1CCN(C(=O)C2(n3cnnn3)CCOCC2)C1 970230558 CDAJJWLRBQQROY-GFCCVEGCSA-N 304.354 -0.998 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)Cn3ncnn3)C2)cc1 973307976 MOFAFYMGKFOQOW-HDJSIYSDSA-N 324.344 -0.268 30 20 DBED C#CCN1C[C@@H]2CC[C@@H](NC(=O)c3nnc(O)nc3O)C[C@H]2C1 980138534 FEXPULCFEQDSLX-GARJFASQSA-N 317.349 -0.254 30 20 DBED Cc1nc(O)nc(O)c1CC(=O)N1CCCN(CC#N)CC1 982488252 XKKONYDNCPGYNB-UHFFFAOYSA-N 305.338 -0.203 30 20 DBED C[C@H]1[C@@H](NCc2nnn(C)n2)CCN1C(=O)c1c[nH]c(C#N)c1 986172978 HESYCKYJRFCDPD-CABZTGNLSA-N 314.353 -0.197 30 20 DBED Cc1nc(O)nc(O)c1CC(=O)N1C[C@H](NCC#N)C[C@@H]1C 989595980 IRBFABSPTMLUIK-WCBMZHEXSA-N 305.338 -0.159 30 20 DBED C#CCN1CCC(C(=O)N2CCCN([C@H](C)C(N)=O)CC2)CC1 989734848 HENMGURJTAARMZ-CQSZACIVSA-N 320.437 -0.260 30 20 DBED C=CCn1cc(C(=O)NC2CN(C(=O)c3cncnc3)C2)nn1 991672749 FWJWYPCFRJKZBY-UHFFFAOYSA-N 313.321 -0.492 30 20 DBED C=C1CC(C)(C(=O)N2CC[C@@H](NC(=O)c3nc[nH]n3)[C@H](O)C2)C1 991677640 XMVPQXOFTMKQPL-GHMZBOCLSA-N 319.365 -0.147 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CC(N)=O)c1 996002682 OOMWBWSPFRXEPO-SCVCMEIPSA-N 315.333 -0.377 30 20 DBED C#CCNC1CCN(C(=O)Cn2ncn3nccc3c2=O)CC1 997052074 HICQXBWVVWRCEM-UHFFFAOYSA-N 314.349 -0.895 30 20 DBED C=CCN1CC=C(CNC(=O)[C@@H]2CCN(C)S2(=O)=O)CC1 1001255264 WRBDMTBCRCVZPA-ZDUSSCGKSA-N 313.423 -0.045 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2CN(C(=O)C(N)=O)CC2(C)C)c1 1008560809 CURZAISCIQCXDZ-GFCCVEGCSA-N 314.345 -0.485 30 20 DBED C[C@H](C#N)C(=O)N1CCC2(C1)CN(C(=O)[C@@]1(C)CCNC1=O)C2 1019438049 FTCRTKUFHAWUEE-ABAIWWIYSA-N 318.377 -0.267 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@@H]2OCCN(C(=O)C(N)=O)[C@@H]2C1 1019908698 UCEZKILHAFROBH-MNOVXSKESA-N 309.366 -0.488 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]2CN(C(=O)CN3CCCC3=O)C[C@H]21 1022565298 UVTBCTOAJIBIAA-RWMBFGLXSA-N 318.377 -0.172 30 20 DBED Cc1ccc(=O)n(CC(=O)N2C[C@@H]3[C@@H](CC[C@H]3NCC#N)C2)n1 1026402213 IUSBQVBWESHBQY-BFHYXJOUSA-N 315.377 -0.098 30 20 DBED C=C(C)CNC1CCC(NC(=O)c2cn(CC(N)=O)nn2)CC1 1026609563 MHMGSGMBXUDAIT-UHFFFAOYSA-N 320.397 -0.030 30 20 DBED C#CCCN1CC[C@@H](CNC(=O)c2cn(CCOC)nn2)C1 1028531284 FFZXQKJFSIVSNE-ZDUSSCGKSA-N 305.382 -0.001 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(Cc2nnnn2C2CC2)C1 1030977731 WELFGFAHDMYAPF-OLZOCXBDSA-N 318.381 -0.101 30 20 DBED C=C(Cl)CN1C[C@@H]2C[C@H]1CN2C(=O)Cn1cnc(C(N)=O)n1 1032413594 LJACQMPXAKXOAG-UWVGGRQHSA-N 324.772 -0.585 30 20 DBED N#CCN1CC2(CCN(C(=O)Cn3c(O)nnc3O)CC2)C1 1035844159 OOUKPNKRUAQIIV-UHFFFAOYSA-N 306.326 -0.863 30 20 DBED NC(=O)CCCC(=O)NC[C@]1(O)CCN(C(=O)C#CC2CC2)C1 1040210657 FBXAPRQJBYFWKL-MRXNPFEDSA-N 321.377 -0.865 30 20 DBED C=C(C)CCC(=O)N1CC[C@](O)(CNC(=O)c2cnn[nH]2)C1 1040269704 UVBMVVDJDKVSFH-AWEZNQCLSA-N 307.354 -0.146 30 20 DBED C=CCOCC(=O)N1CC[C@](O)(CNC(=O)c2[nH]cnc2C)C1 1040276219 VGEGJOSGHCFEGC-HNNXBMFYSA-N 322.365 -0.386 30 20 DBED CC(C)C#CC(=O)N1CC[C@@](O)(CNC(=O)c2csnn2)C1 1040374733 OSDFQDNCAQLVLI-CQSZACIVSA-N 322.390 -0.109 30 20 DBED Cc1nc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCOC3)C2)ccc1C#N 1040938477 GJIAULQGGXFJDF-MGPQQGTHSA-N 316.361 -0.036 30 20 DBED Cc1c[nH]c(C(=O)N[C@@H]2CN(c3ccc(C#N)cn3)C[C@H]2O)n1 1041377249 LEXHZDCPNMCKIA-VXGBXAGGSA-N 312.333 -0.036 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)CCn2cncn2)C1 1041508055 XAPAQCHCRNOQRV-UHFFFAOYSA-N 319.365 -0.983 30 20 DBED CC#CCN1CC[C@@H]2CCN(C(=O)CN3CCOCC3=O)C[C@H]21 1042098991 WAYJDEOAHJKYAV-HUUCEWRRSA-N 319.405 -0.209 30 20 DBED CC[C@@H](C)OCC(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1042613568 VCXHWHHIEIHKTD-GFCCVEGCSA-N 308.378 -0.096 30 20 DBED CO[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1NC(=O)c1cnn[nH]1 1043025620 XLVGADUPNSGSED-CHWSQXEVSA-N 313.321 -0.295 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)CCSC)C1 1043042220 NGFHLUAQUYFZHH-NSHDSACASA-N 314.407 -0.533 30 20 DBED C[C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1Nc1cncc(C#N)n1 1043343157 DARPKBQSIOQJTN-ZYHUDNBSSA-N 312.337 -0.101 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)[C@H](C)NC(=O)CC)C1 1043403543 JBARULNQIGTQRN-LBPRGKRZSA-N 323.393 -0.606 30 20 DBED C#CCCN1CC(N(C)C(=O)[C@H]2C[C@H](OC)CN2C(C)=O)C1 1043477707 GCAZGOYPGCVYIQ-LSDHHAIUSA-N 307.394 -0.212 30 20 DBED N#Cc1cccnc1N1C[C@H](O)[C@H](NC(=O)Cn2ccnc2)C1 1044024540 ONPUXDJXNHGXGQ-OLZOCXBDSA-N 312.333 -0.484 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)CC2CCN(C)CC2)C1 1045552691 WQZRQQQPAIQKTM-GFCCVEGCSA-N 322.409 -0.433 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)[C@@H](C)C2CCOCC2)C1 1045565278 UNXUJPZNDGUGFA-RYUDHWBXSA-N 323.393 -0.102 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCc3nn(C)cc32)C1 1047501960 YTHZICUTEUOLQR-RCBQFDQVSA-N 316.405 -0.023 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cc[nH]n2)C1 1048327656 PLWXNRBKEYUNMN-WXHSDQCUSA-N 320.349 -0.908 30 20 DBED C#CCOCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCOC2)C1 1048492545 PWDAYWZIIJSBKY-IHRRRGAJSA-N 324.377 -0.907 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2COC(=O)C2)C1 1048683477 VUVSSDVJQBVWTD-AGIUHOORSA-N 324.377 -0.064 30 20 DBED CNC(=O)NCC(=O)N[C@@H](C)[C@@H]1CCN(C(=O)C#CC2CC2)C1 1050677901 BLKSSEAZEBBFSF-WCQYABFASA-N 320.393 -0.318 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1 1051113606 YTIHAKKMIGTLDJ-MCIONIFRSA-N 323.393 -0.928 30 20 DBED Cn1ncc2cc(C(=O)NC[C@@H]3COCCN3CC#N)cnc21 1051179144 AONZQIDIGMCJIQ-CYBMUJFWSA-N 314.349 -0.078 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)c1ccc(C(=O)NC)nc1 1051210891 PHMYYONWCJAIQZ-CYBMUJFWSA-N 316.361 -0.495 30 20 DBED Cc1[nH]nc(C(=O)N2CC[C@H](N3CCN(CC#N)CC3)C2)c1O 1052014510 GCNQREMOSWYWNO-LBPRGKRZSA-N 318.381 -0.221 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)[C@H]3CC(=O)N(CC)C3)CO2)C1 1053822238 JMRHMZGTMPHIAC-QWHCGFSZSA-N 305.378 -0.553 30 20 DBED C=CCO[C@@H](C)C(=O)NC[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(N)=O 1053840985 XJFTWCQPWCYXHS-RVMXOQNASA-N 323.393 -0.051 30 20 DBED C=C(C)CN1CC2(C[C@@H](NC(=O)c3cn(C)c(=O)n3C)CO2)C1 1054018594 GJSPLGKCGJGNCM-GFCCVEGCSA-N 320.393 -0.127 30 20 DBED N#CCN1CC[C@@]2(CCCN(C(=O)C3CS(=O)(=O)C3)C2)C1 1054138310 NQDNJJLYFPDEAJ-AWEZNQCLSA-N 311.407 -0.131 30 20 DBED Cn1cc(C(=O)NC2[C@H]3CN(c4nccnc4C#N)C[C@H]23)nn1 1056197806 GSVRERYQDCAZPK-IUCAKERBSA-N 310.321 -0.659 30 20 DBED COCCC(=O)N(CCO)CCNC(=O)c1ccc(C#N)[nH]1 1056731980 GHASITRHDZFVGD-UHFFFAOYSA-N 308.338 -0.526 30 20 DBED C[C@]1(C(=O)N2CC[C@@H](Nc3ccc(C#N)nn3)C2)CNC(=O)C1 1056738470 DHCHHJQSHNORNZ-IAQYHMDHSA-N 314.349 -0.113 30 20 DBED N#CCSCC(=O)N(CCO)CCNC(=O)[C@H]1CCCO1 1057026827 NCDFJFDJYFDDAF-LLVKDONJSA-N 315.395 -0.641 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)[C@@H]1CN(C)C[C@@H]1C 1057445533 YOHWTBKZFKRVDK-LSDHHAIUSA-N 323.437 -0.075 30 20 DBED O=C(NCCN(CCO)C(=O)C#CC1CC1)[C@H]1C[C@H]2C=C[C@H]1O2 1057535915 HXNGWIQJZYIVEM-QLFBSQMISA-N 318.373 -0.320 30 20 DBED C=CC(C)(C)C(=O)N(CCO)CCNC(=O)c1nccnc1N 1058302110 FYISKFOLSZKCMW-UHFFFAOYSA-N 321.381 -0.178 30 20 DBED N#Cc1nccc(N2CC[C@@H](NC(=O)[C@H]3COCCO3)C2)n1 1058305089 PLXYRODWLFSNFO-GHMZBOCLSA-N 303.322 -0.541 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@@H](CCNC(=O)CC(N)=O)C2)[nH]1 1059484306 JLJPHQSMCPIPML-SNVBAGLBSA-N 317.349 -0.270 30 20 DBED C[C@@H](C#N)C(=O)NCC[C@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 1060277825 PUUHLVWJSGXNHJ-QWRGUYRKSA-N 306.366 -0.234 30 20 DBED N#Cc1ccc(NC[C@H]2CCN(C(=O)Cn3cnnn3)C2)nc1 1060802997 HQWOQLMASUHBCU-GFCCVEGCSA-N 312.337 -0.100 30 20 DBED CO[C@H](C)C(=O)NC[C@@H]1COCCN1C(=O)c1ccc(C#N)[nH]1 1061367995 VRZOYNCTHDIYRA-ZYHUDNBSSA-N 320.349 -0.122 30 20 DBED Cn1cc(C(=O)N2C[C@@H]3CC[C@H](C2)N3c2cncc(C#N)n2)nn1 1061957592 SHUNWQAXKHTJIH-TXEJJXNPSA-N 324.348 -0.030 30 20 DBED C=CCOCC(=O)NCC1(NC(=O)Cn2ncnn2)CCC1 1062703588 IDLHRFGWVNAKCD-UHFFFAOYSA-N 308.342 -0.969 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CN(C(=O)c2ccc(O)nn2)CCO1 1064812123 LQUMTBBMSDCXGM-VHSXEESVSA-N 319.321 -0.701 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CN(C(=O)c2cnnc(O)c2)CCO1 1065265045 DVPMAPYBRPZQQO-ONGXEEELSA-N 319.321 -0.701 30 20 DBED C=CCCC(=O)N1CC[C@@H](N2CCN(C(=O)CC(N)=O)CC2)C1 1065691950 NEHWYDWSEXEKIV-CYBMUJFWSA-N 322.409 -0.427 30 20 DBED N#Cc1nccc(N2C[C@H]3CN(C(=O)c4cnon4)C[C@H]3C2)n1 1066019979 IPBZDEIUINTTME-AOOOYVTPSA-N 311.305 -0.060 30 20 DBED N#Cc1cncc(N2CC[C@H]3[C@@H]2CCCN3C(=O)CC(N)=O)n1 1066126318 FFDWPMLDIAILRS-RYUDHWBXSA-N 314.349 -0.207 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)CCCN(C)C(=O)CNC(C)=O 1066663630 MPCGKVIVBGKZPQ-LBPRGKRZSA-N 311.382 -0.532 30 20 DBED C[C@@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1N=c1cc[nH]cc1C#N 1067042107 JWBKBNWOKDYXAX-MFKMUULPSA-N 312.337 -0.679 30 20 DBED C[C@H]1CN(C(=O)c2nnn(C)n2)C[C@@H]1Nc1cnc(C#N)cn1 1067177322 ZIKGXQONYXZQCZ-WPRPVWTQSA-N 313.325 -0.556 30 20 DBED C=CCOCC(=O)N1CC2(C[C@H](NC(=O)[C@H]3CCCO3)CO2)C1 1068679842 RJSMOGVWSCSMLK-QWHCGFSZSA-N 324.377 -0.146 30 20 DBED C[C@H]1[C@H](Nc2cncc(C#N)n2)CCN1C(=O)Cn1cnnn1 1068777561 UGWBYNJCTVYWHC-GXSJLCMTSA-N 313.325 -0.564 30 20 DBED C=CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)Cc2nc[nH]n2)C1 1070072142 DBCSSFYJZYECNW-NEPJUHHUSA-N 316.369 -0.444 30 20 DBED C=CCOCC(=O)N1CCC[C@@H](NC(=O)[C@@H]2CC(=O)N(C)C2)C1 1070553945 AWZQEHJQWNWIAC-CHWSQXEVSA-N 323.393 -0.226 30 20 DBED N#CCN1C[C@H]2C[C@H]3CN(C(=O)C4(C(N)=O)CC4)C[C@@]3(C1)O2 1070849016 ZDUAOBYDVRQYAG-FIXISWKDSA-N 304.350 -0.923 30 20 DBED CC#CCN1C[C@H]2C[C@@H]3CN(C(=O)Cn4cncn4)C[C@@]3(C1)O2 1070887137 CVIHEJKESWRGFT-IIAWOOMASA-N 315.377 -0.397 30 20 DBED C#CCCN1CC[C@@]2(C1)CN(C(=O)Cn1ncnn1)C[C@H](C)O2 1071168390 AHFLPCNDGQYFOB-DZGCQCFKSA-N 318.381 -0.612 30 20 DBED C#CCN1CC[C@]2(C1)CN(C(=O)Cn1nccn1)C[C@@H](C)O2 1071173532 JRASMGDAPDOTAP-HIFRSBDPSA-N 303.366 -0.397 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CN(C(=O)CCOCC)C[C@H]1C 1071781024 GLTINOYDMWEMGO-OLZOCXBDSA-N 323.393 -0.484 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CN(C(=O)CCN(C)C)C[C@H]1C 1072671928 OICPBSAZDMSKQQ-OLZOCXBDSA-N 322.409 -0.959 30 20 DBED O=C(C#CC1CC1)N1CC2(CCN(CCN3CCNC3=O)C2)C1 1072721283 LPAYTYNJSDDGOT-UHFFFAOYSA-N 316.405 -0.041 30 20 DBED N#CCN1CCO[C@H]2CCN(C(=O)CCc3nc[nH]n3)C[C@H]21 1074212179 LFQZXRBFPGYYGM-NEPJUHHUSA-N 304.354 -0.437 30 20 DBED C#CCCN1CCO[C@H]2CCN(C(=O)c3cnn(C)c3N)C[C@H]21 1074222136 CFWIPOHLRQVLKH-KGLIPLIRSA-N 317.393 -0.059 30 20 DBED C=CCN1CCO[C@H]2CCN(C(=O)c3cn(C)c(=O)n3C)C[C@@H]21 1074414519 BEAAFUMYMVGACU-JSGCOSHPSA-N 320.393 -0.175 30 20 DBED C=CCOCC(=O)NCC1(O)CCN(C(=O)COC)CC1 1074416406 RIQPALWLISIFMH-UHFFFAOYSA-N 300.355 -0.695 30 20 DBED C=CCOCC(=O)N1CCC(O)(CNC(=O)c2cnn[nH]2)CC1 1074516891 PBRKZBNCPJKYPJ-UHFFFAOYSA-N 323.353 -0.909 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCC(O)(CNC(=O)COC)CC1 1074566350 ISYFQKBDDWHOQS-CQSZACIVSA-N 314.382 -0.570 30 20 DBED C[C@@H](CCNC(=O)c1ccc(C#N)[nH]1)NC(=O)Cn1nccn1 1076181628 DQHROCWOPMVRRQ-JTQLQIEISA-N 315.337 -0.197 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)Cc2nnc(C)o2)C1 1076960561 KDTXHQXJUBDZOX-NXEZZACHSA-N 300.746 -0.166 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)c2cnc3n2CCOC3)C1 1077170233 SXLMHFIVWQMULR-DGCLKSJQSA-N 304.350 -0.789 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2cc(C(F)(F)F)ncn2)C1 1077376881 HRSYCNXIZXQPQN-NXEZZACHSA-N 314.267 -0.097 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3nc(C)nn3C2)C1 1077430175 ABEPZYOMTIRWLK-MGPQQGTHSA-N 317.393 -0.666 30 20 DBED C=CCOCC(=O)N(CC)C1CN(C(=O)CCCC(N)=O)C1 1079494296 ZHFIUTHQKMLXLE-UHFFFAOYSA-N 311.382 -0.096 30 20 DBED C=CCOCC(=O)N1CC(N(CC)C(=O)c2nnn(C)n2)C1 1080271069 IVYNTBBUSFFKFZ-UHFFFAOYSA-N 308.342 -0.914 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)Cn2cncn2)C[C@@H]1O 1081444756 MQRMQLQJCHKWGG-OLZOCXBDSA-N 319.365 -0.983 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)c2cnccn2)C[C@@H]1O 1081460313 FVHFTWKJIUHNLY-OCCSQVGLSA-N 316.361 -0.315 30 20 DBED Cc1nn[nH]c1C(=O)N1C[C@H](CNC(=O)C#CC(C)C)[C@@H](O)C1 1081463757 RRTBQESZTJKREY-RYUDHWBXSA-N 319.365 -0.678 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)Cc2cc[nH]n2)C[C@H]1O 1081464074 VIFWIHBHMXDTHE-GXTWGEPZSA-N 318.377 -0.453 30 20 DBED C=C(Cl)CN1C[C@@H](NC(=O)[C@H]2CN(C)CCO2)[C@H](OC)C1 1081481851 XVFTUQYAOOZFQL-JHJVBQTASA-N 317.817 -0.115 30 20 DBED C=CCN1C[C@@H](NC(=O)c2cccn3nnnc23)[C@H](OC)C1 1081734288 UKPVIPGYBYPZGE-VXGBXAGGSA-N 302.338 -0.261 30 20 DBED C=C(Cl)CN[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)N2)C[C@H]1C 1082927320 XQBOUHLPURPSAJ-DVVUODLYSA-N 321.830 -0.133 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2cc(C(F)(F)F)n(C)n2)C1 1083489190 RQVLOEPFLLXPRA-ZJUUUORDSA-N 316.283 -0.153 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](NC(=O)[C@@H](C)N2C(=O)CCC2=O)C1 1083502760 USBBNRKTODHRLF-UPJWGTAASA-N 323.393 -0.349 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)c2cnc3[nH]nnc3c2)C1 1083528844 LWAUXSTYDACUOQ-MNOVXSKESA-N 322.756 -0.120 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2c[nH]nc2-c2ccncc2)C1 1083601570 BTGIUYPZWBOEFR-KGLIPLIRSA-N 311.345 -0.120 30 20 DBED CC(C)(C)N1CCC[C@@H](C(=O)N[C@@H]2CN(CC#N)C[C@@H]2O)C1=O 1083717851 RPMKFGBMJDRCNM-XQQFMLRXSA-N 322.409 -0.292 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)c2cn(C3CCOCC3)nn2)C1 1083928468 VYJRNPAGGKZYAS-OCCSQVGLSA-N 321.381 -0.410 30 20 DBED C#CCN[C@@H]1CCCC[C@H]1NC(=O)CN1C(=O)C(=O)N(C)C1=O 1085351851 DQNURFHXDPGFFJ-GHMZBOCLSA-N 320.349 -0.943 30 20 DBED CC#CCN1CC[C@H]1CN(C)C(=O)[C@H]1CCN(C)S1(=O)=O 1085868482 QPEGTGJOWFGJAF-QWHCGFSZSA-N 313.423 -0.424 30 20 DBED CC#CCN1CC[C@@H]1CN(C)C(=O)c1cn(C)c(=O)nc1O 1085968446 JKPBEVKEGOFQDY-LLVKDONJSA-N 304.350 -0.345 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2cnc(N(C)C)cn2)[C@H](O)C1 1090267882 DUIWSXCWTMIOKU-GXTWGEPZSA-N 317.393 -0.269 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CN(c2ncnc3[nH]cnc23)C[C@H]1O 1090404216 KEKPGCYHUBCIQH-DJLDLDEBSA-N 301.310 -0.822 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(c2nc(C)ns2)C[C@H]1O 1090495498 VAGMPVBWDBCXNU-GHMZBOCLSA-N 310.379 -0.448 30 20 DBED COCC1(C(=O)N[C@@H]2CN(c3nccnc3C#N)C[C@H]2O)CC1 1090507361 YJJVXFDSVJQSEV-VXGBXAGGSA-N 317.349 -0.559 30 20 DBED C#CCN1CC[C@H](NC(=O)Cc2ncccc2OC)[C@@H](O)C1 1090520599 QFFXFOGYTUDRHE-JSGCOSHPSA-N 303.362 -0.183 30 20 DBED C#CCCN1CC[C@@H](NC(=O)Cn2c(C)csc2=O)[C@@H](O)C1 1090797499 ZWKFGKADWFPSHE-OLZOCXBDSA-N 323.418 -0.207 30 20 DBED CS(=O)(=O)CC(=O)NC[C@H]1C[C@H](Nc2cnc(C#N)cn2)C1 1091428800 KLMCVXURVZBVPE-MGCOHNPYSA-N 323.378 -0.300 30 20 DBED CNC(=O)CC(=O)NC[C@H]1C[C@H](Nc2nccnc2C#N)C1 1091448532 BQXXBGFZIMOHQJ-MGCOHNPYSA-N 302.338 -0.209 30 20 DBED N#Cc1ccc(NC2CC(CNC(=O)C3(C(N)=O)CC3)C2)nn1 1092258886 GBHVMVZAOSIGAQ-UHFFFAOYSA-N 314.349 -0.080 30 20 DBED Cc1cc(NC(=O)C(=O)NCCNc2ccc(C#N)nn2)no1 1093650084 GSBYVEJNEMBOLJ-UHFFFAOYSA-N 315.293 -0.189 30 20 DBED N#CCN1CC(n2cc(CNC(=O)C3CCOCC3)nn2)C1 1094269771 YYHFACYQVHMVTO-UHFFFAOYSA-N 304.354 -0.299 30 20 DBED C[C@@H](C(=O)NCCCN=c1cc[nH]c(C#N)n1)n1cncn1 1094371655 PDCZMBHDZNDNKW-JTQLQIEISA-N 300.326 -0.459 30 20 DBED N#CCN1CCN(C(=O)C2=CCCC2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094623828 HASYFLFKSCEUGY-QWHCGFSZSA-N 309.391 -0.070 30 20 DBED C[C@H](C(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1)n1cccc1 1094721732 JNYHFRDADLKKGH-CHWSQXEVSA-N 315.377 -0.026 30 20 DBED CCC(=O)NCC(=O)N1CCCN(c2ccc(C#N)nn2)CC1 1095176007 PQCLZWRNABRBLB-UHFFFAOYSA-N 316.365 -0.087 30 20 DBED C#CCCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cn1cnc(C(N)=O)n1 1095439866 IMKJYMVKLVFFQY-WOPDTQHZSA-N 316.365 -0.878 30 20 DBED N#Cc1cncc(N2CCC[C@@H](NC(=O)CNC(N)=O)C2)n1 1096137501 FATQVZLSNVAJPK-SECBINFHSA-N 303.326 -0.898 30 20 DBED N#Cc1cncc(N2CCC[C@H](NC(=O)C3(C(N)=O)CC3)C2)n1 1096227892 CPSGNZYQPZVGST-JTQLQIEISA-N 314.349 -0.301 30 20 DBED N#Cc1ccc(NC[C@@H]2CCCCN2C(=O)CNC(N)=O)nn1 1097473523 RCZOSMQBNDTFEU-NSHDSACASA-N 317.353 -0.190 30 20 DBED CNC(=O)NC(C)(C)C(=O)NC[C@H](C)N=c1cc[nH]c(C#N)n1 1097889521 KBLYTLAGUWZDPW-VIFPVBQESA-N 319.369 -0.606 30 20 DBED C=CCN(CCO)C1CCN(C(=O)[C@H]2CC[C@H]2C(N)=O)CC1 1098447452 LDKDAMGAQURTOT-KGLIPLIRSA-N 309.410 -0.031 30 20 DBED C#CCN(CCO)C1CCN(C(=O)[C@H]2CCCN2C(C)=O)CC1 1098575668 ZKUKBZUIBLYTOB-MRXNPFEDSA-N 321.421 -0.084 30 20 DBED C#CCNCc1cn([C@@H]2CCN(C(=O)[C@H](C)OCC#C)C2)nn1 1098673932 WIEHHNPNKOOBFV-DZGCQCFKSA-N 315.377 -0.187 30 20 DBED C#CCNCc1cn([C@H]2CCN(C(=O)Cc3ncc[nH]3)C2)nn1 1098757652 QPACUWIESSAYCE-ZDUSSCGKSA-N 313.365 -0.260 30 20 DBED C[C@@H](CCNC(=O)CCn1cnnn1)Nc1ccc(C#N)nn1 1099416963 LHTCHZNVQNIYAD-JTQLQIEISA-N 315.341 -0.268 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)CSC)[C@@H](O)C1 1099651139 PTJQHGFRKMKCCI-MNOVXSKESA-N 301.412 -0.797 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(Cc2cn(C)nc2C)C[C@H]1O 1099740392 CITKSDHUSLZIMX-HUUCEWRRSA-N 322.409 -0.017 30 20 DBED CC(C)C#CC(=O)N[C@H]1CCN(CCn2cncn2)C[C@H]1O 1099820352 DBSHJPGTQHITDU-UONOGXRCSA-N 305.382 -0.511 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)c2cnnc(O)c2)[C@@H](O)C1 1099885329 LNTAWUNGDKGNMF-STQMWFEESA-N 322.365 -0.450 30 20 DBED C=CCN1CC[C@H](NC(=O)CS(=O)(=O)CC(C)C)[C@@H](O)C1 1099895571 YKJHFJSWXLVRIU-STQMWFEESA-N 318.439 -0.205 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)c2csnn2)[C@H](O)C1 1099935631 RNOWDVKEWCLHGO-CMPLNLGQSA-N 312.395 -0.094 30 20 DBED C#CCN1CC[C@@H](NC(=O)CCc2ccc(O)nc2)[C@@H](O)C1 1099970541 YVESTTAJKRVHGF-KGLIPLIRSA-N 303.362 -0.096 30 20 DBED C#CCCN1CC[C@H](NC(=O)COC2CCOCC2)[C@H](O)C1 1100024965 RKKWITIUSLZFAH-LSDHHAIUSA-N 310.394 -0.243 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)[C@H](CC)NC(C)=O)C1 1100693858 ATPICXPMJLPQAJ-RUXDESIVSA-N 322.409 -0.865 30 20 DBED CC#CCNC1CC(CNC(=O)[C@H](C)NS(C)(=O)=O)C1 1100706633 QCHQVLODNMVSDH-UNXYVOJBSA-N 301.412 -0.568 30 20 DBED CCc1nc(C#N)cc(N2CCC[C@H]2CNC(=O)CC(N)=O)n1 1100811326 BPGNMZYGOCHRLT-NSHDSACASA-N 316.365 -0.129 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1CNC(=O)C1CCOCC1 1101666000 QDRIGBJLJBLUMJ-TZMCWYRMSA-N 322.409 -0.263 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)[C@]1(C)CNC(=O)C1 1101877105 NIXQVFWVRFEBIG-AWEZNQCLSA-N 302.338 -0.833 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)c1cn(C)ccc1=O 1102048270 QOARLYWPCODCAD-UHFFFAOYSA-N 312.333 -0.347 30 20 DBED COCC#CCN1C[C@@H](C)[C@H](CNC(=O)[C@H]2CNC(=O)N2)C1 1102292253 FZHSVPYZOIJLBH-JHJVBQTASA-N 308.382 -0.998 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1CNC(=O)Cn1ccnc1 1102614055 KSQZSIKNWYMCCW-CHWSQXEVSA-N 318.381 -0.793 30 20 DBED CC[C@@H](CNC(=O)[C@H]1CCCC(=O)N1)N=c1cc[nH]c(C#N)n1 1103231667 MXVJIPFCHBEJPU-WDEREUQCSA-N 316.365 -0.254 30 20 DBED CC[C@H](CNC(=O)[C@@H]1CCC(=O)NC1)N=c1cc[nH]c(C#N)n1 1103368147 UGSIPQPDHODZIZ-GHMZBOCLSA-N 316.365 -0.397 30 20 DBED C[C@@H](CNC(=O)Cn1ncnn1)CNc1ncccc1C#N 1104095566 ZGYQORKUNVNHHF-JTQLQIEISA-N 300.326 -0.196 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](C)[C@H](CCNCCOC)C1 1104095679 FOLMOWDJYRWGJF-ZIAGYGMSSA-N 309.410 -0.154 30 20 DBED CN(CCN(C)c1nccnc1C#N)C(=O)c1cnn(C)n1 1105432236 KQFWLXUKHSNHHT-UHFFFAOYSA-N 300.326 -0.315 30 20 DBED Cc1cc(N(C)CCN(C)C(=O)c2nnn(C)n2)c(C#N)cn1 1105534675 BRRZNOBUIZZUIE-UHFFFAOYSA-N 314.353 -0.006 30 20 DBED COC[C@H](OC)C(=O)N(C)CCN(C)c1ccc(C#N)nn1 1105562414 HIADCPNNMUITAL-LBPRGKRZSA-N 307.354 -0.096 30 20 DBED CN(CCN(C)c1ccc(C#N)nn1)C(=O)CCc1cnn[nH]1 1105568963 GMLYOQMLCAAWTA-UHFFFAOYSA-N 314.353 -0.006 30 20 DBED Cc1c(C(=O)NC[C@H](O)CNc2cnc(C#N)cn2)cnn1C 1105752311 QSIBKQUALPPXCW-LLVKDONJSA-N 315.337 -0.407 30 20 DBED CN1CC[C@@H](C(=O)NC[C@@H](O)CNc2nccnc2C#N)C1 1105852897 BTFOCPNZVFLWMK-MNOVXSKESA-N 304.354 -0.811 30 20 DBED N#Cc1cnc(NC[C@@H](O)CNC(=O)Cc2ncc[nH]2)cn1 1105938495 XQWILLCNQBNIAY-SNVBAGLBSA-N 301.310 -0.797 30 20 DBED C[C@@H]1CN(C(=O)[C@H]2CCc3nnnn3CC2)C[C@H]1CNCC#N 1106682607 PXJCMXLRRZAXGH-FRRDWIJNSA-N 317.397 -0.167 30 20 DBED C#CCN1CC(n2cc(CNC(=O)CCc3ncc[nH]3)nn2)C1 1107164045 NGFULUWZXRZDKT-UHFFFAOYSA-N 313.365 -0.260 30 20 DBED N#Cc1ccc(NC/C=C/CNC(=O)C2CS(=O)(=O)C2)nn1 1107358835 NSJHCRKNUVNLON-OWOJBTEDSA-N 321.362 -0.523 30 20 DBED N#Cc1c[nH]ccc1=NC/C=C/CNC(=O)[C@@H]1CNC(=O)N1 1107489776 IYWJIPHQSCYHQO-ISUDXETCSA-N 300.322 -0.859 30 20 DBED C[C@@H](C(N)=O)N1CCO[C@@](C)(CNC(=O)c2c[nH]c(C#N)c2)C1 1107883300 QEEQXHFNOOQZSO-BONVTDFDSA-N 319.365 -0.419 30 20 DBED C#CCCN1CCO[C@](C)(CNC(=O)c2cc(=O)n(C)o2)C1 1107898881 NQMXCBOMFTVDJV-OAHLLOKOSA-N 307.350 -0.178 30 20 DBED C[C@@H](C(=O)N[C@H](C)CN=c1cc[nH]c(C#N)n1)S(C)(=O)=O 1108194753 BZNFZVULUUSOAH-BDAKNGLRSA-N 311.367 -0.880 30 20 DBED CC#CCN1CCN(C(=O)CCOC)[C@@H]2CS(=O)(=O)C[C@@H]21 1108450404 PSRNRMVDMUBPAX-QWHCGFSZSA-N 314.407 -0.644 30 20 DBED C=CCCCCCN1CC(N2C[C@H](NC(=O)C(N)=O)CC2=O)C1 1108566511 KYQPRHORBSPLJW-GFCCVEGCSA-N 322.409 -0.381 30 20 DBED COCC[C@@H](C)C(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1 1108591101 STXKDPIDMZEUNV-NEPJUHHUSA-N 308.382 -0.416 30 20 DBED COCC[C@@H](C)C(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1 1108591104 STXKDPIDMZEUNV-VXGBXAGGSA-N 308.382 -0.416 30 20 DBED CCN1CCOC[C@H]1C(=O)N[C@@H](C)CNc1cnc(C#N)cn1 1108596356 NDDANIGWWQSVQG-AAEUAGOBSA-N 318.381 -0.014 30 20 DBED COCC(=O)NCCC(=O)N[C@@H](C)CN=c1cc[nH]cc1C#N 1108748673 WWJVYUXHRGKESM-NSHDSACASA-N 319.365 -0.556 30 20 DBED C#CCCN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CS(=O)(=O)NC)C2 1108823413 MISKIMIPSWLEJV-XQQFMLRXSA-N 313.423 -0.472 30 20 DBED CN(CCCNc1ncccc1C#N)C(=O)[C@H]1CNC(=O)N1 1109598799 NMUJRLPVHASVGA-LLVKDONJSA-N 302.338 -0.105 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(Nc2nccn3nnnc23)CC1 1110236217 IPKRERSDGFEHOR-SNVBAGLBSA-N 315.337 -0.382 30 20 DBED N#Cc1nccnc1NC[C@H](NC(=O)C(N)=O)C1CCCC1 1110679211 OCPFDHTUEPNKCR-NSHDSACASA-N 302.338 -0.080 30 20 DBED N#Cc1ccc(N2CCC(F)(F)[C@H](CNC(=O)C(N)=O)C2)nn1 1111013292 BCJHLTGMEDGXTR-MRVPVSSYSA-N 324.291 -0.589 30 20 DBED Cn1nccc1C(=O)N(CCO)CCNc1nccnc1C#N 1111432285 GYLDWSNIUUPHMB-UHFFFAOYSA-N 315.337 -0.372 30 20 DBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCCC(N)=O 1111507488 DIMRXFQKURBGEZ-UPJWGTAASA-N 322.409 -0.334 30 20 DBED CNC(=O)NCC(=O)NCC1(Nc2cnc(C#N)cn2)CCC1 1111921161 WTQZNBOOSGJFSG-UHFFFAOYSA-N 317.353 -0.272 30 20 DBED C=CCOCC(=O)N1C[C@H](C)[C@H](Nc2nccn3nnnc23)C1 1112310132 GVRJOIYQKSZOME-WDEREUQCSA-N 317.353 -0.019 30 20 DBED COCC#CCN1CCN(C(=O)c2c(C)ncnc2O)CC1 1113239648 KNEMGMLNUJZKKU-UHFFFAOYSA-N 304.350 -0.102 30 20 DBED CNC(=O)NCC(=O)N[C@@H](C)[C@@H](C)Nc1nc(C)cc(C#N)n1 1113350507 UYQSVKITUALZAU-VHSXEESVSA-N 319.369 -0.109 30 20 DBED C=CCOCC(=O)N[C@H]1[C@@H]2CN([C@@H](C)C(=O)NC(=O)NC)C[C@@H]21 1114050724 HXRDEHMILHKJJK-MEWQQHAOSA-N 324.381 -0.921 30 20 DBED C[C@H](C#N)C(=O)NC1[C@@H]2CN(CC(=O)NCC(F)(F)F)C[C@@H]12 1114063290 ANOKCYDPLBNACL-IWSPIJDZSA-N 318.299 -0.129 30 20 DBED C=C(C)CN1C[C@@H]2C(NC(=O)CNS(=O)(=O)CC)[C@H]2C1 1114364155 RGUGSQFTYHQRGN-QWRGUYRKSA-N 301.412 -0.452 30 20 DBED N#Cc1cnccc1N1C[C@H]2C(CNC(=O)Cn3cnnn3)[C@@H]2C1 1114508533 NRMJZSLFHIYVQP-STQMWFEESA-N 324.348 -0.562 30 20 DBED COCC#CCN1C[C@@H]2C(NC(=O)c3ccc(=O)n(C)c3)[C@H]2C1 1114516213 SWORWKJOUMZGHU-KBPBESRZSA-N 315.373 -0.305 30 20 DBED C=CCCCC(=O)NC1[C@H]2CN(CCN3C(=O)CNC3=O)C[C@H]12 1114760226 WSVCFSJRFKGHQZ-RYUDHWBXSA-N 320.393 -0.059 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@@H]3CC34CCC4)[C@H]2C1 1114888988 RREYFMHHNAETMV-SFDCQRBFSA-N 301.390 -0.028 30 20 DBED C=C(C)COCCNC(=O)C(=O)N1CC(=O)N[C@H]2CCCC[C@H]21 1117605973 XONRDJLESPYOIT-QWHCGFSZSA-N 323.393 -0.035 30 20 DBED CC(C)CN1CCN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)CC1 1118183261 GNGVQHQDKGTXCO-INIZCTEOSA-N 322.409 -0.336 30 20 DBED C=CCOCCNC(=O)C(=O)N1CC[S@](=O)[C@H](C)[C@H]1C 1118442629 AEAPRFSRWHEXJX-HZNYWTHISA-N 302.396 -0.327 30 20 DBED C[C@H](O)CN1CCN(C(=O)C(=O)N2CCC[C@@H](C#N)C2)CC1 1120394357 GYWMGMRRVARLOR-STQMWFEESA-N 308.382 -0.726 30 20 DBED C[C@H](CN(C)C(=O)[C@H]1CN(C)C(=O)N1)N=c1cc[nH]c(C#N)n1 1120407458 ITNVQIRWUDXGPK-NXEZZACHSA-N 317.353 -0.947 30 20 DBED CNC(=O)NCC(=O)N(C)C[C@H](C)Nc1ccc(C#N)nn1 1120818605 SFQZMPLZGBQVFL-VIFPVBQESA-N 305.342 -0.464 30 20 DBED Cn1ncc(C(=O)NC[C@H](CO)Nc2ccc(C#N)cn2)c1N 1121331532 HGGWMKXVEWZOKI-SNVBAGLBSA-N 315.337 -0.528 30 20 DBED Cc1cc(C#N)nc(N[C@H](CO)CNC(=O)c2ncccn2)n1 1121906141 JRZKGTLOMYPFFA-NSHDSACASA-N 313.321 -0.351 30 20 DBED N#Cc1cncc(N[C@H](CO)CNC(=O)CCn2ccnc2)n1 1122377986 DNWQBKGWWLZHFN-LBPRGKRZSA-N 315.337 -0.476 30 20 DBED Cc1ccn(CC(=O)NC[C@H](CO)Nc2cnc(C#N)cn2)n1 1122595246 ZSCRADVQRZPFHT-GFCCVEGCSA-N 315.337 -0.558 30 20 DBED Cc1cc(=N[C@@H](CO)CNC(=O)c2cnn[nH]2)c(C#N)c[nH]1 1122880458 RXPKAVTTWRPWHC-SNVBAGLBSA-N 301.310 -0.996 30 20 DBED CNC(=O)NCC(=O)N1CC[C@@H](Nc2ccc(C#N)nn2)[C@H]1C 1123111931 WAMRHCGYBFNZLU-MWLCHTKSSA-N 317.353 -0.321 30 20 DBED CC(C)N(C)CC(=O)N(C)C[C@@H](O)CN=c1cc[nH]c(C#N)n1 1124381964 RAOXDSLZDPNKQT-LBPRGKRZSA-N 320.397 -0.658 30 20 DBED CN(C[C@H](O)CNc1ncc(C#N)cc1Cl)C(=O)C(N)=O 1124703638 CSQXSDWUGXIMDN-MRVPVSSYSA-N 311.729 -0.677 30 20 DBED COC[C@@H](C)C(=O)N(C)C[C@@H](O)CN(C)c1cncc(C#N)n1 1124988814 NKLXVVLURLEMKF-YPMHNXCESA-N 321.381 -0.114 30 20 DBED CN(C[C@H](O)CN(C)c1ccncc1C#N)C(=O)c1nc[nH]n1 1125140343 YCPWILJNFDKUPG-LLVKDONJSA-N 315.337 -0.359 30 20 DBED COCCN(CCNC(=O)c1cc[nH]n1)c1ccnc(C#N)n1 1126225543 WENIEYKLGSCJMK-UHFFFAOYSA-N 315.337 -0.046 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(CCCO)C[C@@H]1n1ccnn1 1128929072 ALTYXSHEFBMFQZ-IPYPFGDCSA-N 323.397 -0.671 30 20 DBED C=CCOCC(=O)N1C[C@H](n2ccnn2)[C@H](NC[C@@H](C)OC)C1 1129680840 CGBUDTIJMJYVKB-MCIONIFRSA-N 323.397 -0.143 30 20 DBED C#CCCCC(=O)N1C[C@H](n2ccnn2)[C@H](NCC(=O)NC)C1 1129795761 OYSGYYXYXACOGD-OLZOCXBDSA-N 318.381 -0.831 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CCn2cncc2C1 1130407173 KSJIHKYVPMIOGZ-QWHCGFSZSA-N 317.393 -0.711 30 20 DBED C=CCOCC(=O)N1CCC(=O)NCCN(CC#CC)CC1 1131339511 FVBBGJLDMHFHBP-UHFFFAOYSA-N 307.394 -0.137 30 20 DBED C[C@H]1CC[C@H](NC(=O)c2cnccn2)CN1CC(=O)NCC#N 1131748272 RCLPGVZEGNVSNP-RYUDHWBXSA-N 316.365 -0.301 30 20 DBED C=CCNC(=O)CNC[C@H]1CN(C(=O)c2nc[nH]n2)CC[C@H]1C 1133181997 MKDMAVKZCHXZED-NEPJUHHUSA-N 320.397 -0.205 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1cnc2c(cnn2C)c1 1135786250 CLXJIYNQBPIOTH-UHFFFAOYSA-N 316.365 -0.410 30 20 DBED C#CCCN1CCC2(C1)CN(C(=O)CN(C)C(=O)COC)C2 1147665372 HZLVATQHEOJDNS-UHFFFAOYSA-N 307.394 -0.351 30 20 DBED C=CCOCC(=O)NC[C@H]1CN([C@H](CC)C(N)=O)CCCO1 1149385101 ZLEOTFRCXAOGEC-QWHCGFSZSA-N 313.398 -0.340 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1cncnc1C1CC1 1149531062 RDQHQMOERXDZEU-NSHDSACASA-N 315.377 -0.189 30 20 DBED C#CCCCC(=O)NC[C@H]1CN([C@@H]2CCNC2=O)CCCO1 1149638859 JKGDORAMRISPQF-UONOGXRCSA-N 307.394 -0.115 30 20 DBED CCN(CC#CCOC)[C@H](C)CNC(=O)C[C@H](C)NC(N)=O 1153320931 UZZLUUIVMAZQBM-QWHCGFSZSA-N 312.414 -0.090 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)[C@H]2CCNC(=O)C2)C1=O 1156516372 DPEFOFNXCFZPST-STQMWFEESA-N 322.409 -0.605 30 20 DBED C#CCNC(=O)CNCCCNC(=O)CCc1cc(OC)no1 1158995228 CRUVBTSZXADOPA-UHFFFAOYSA-N 322.365 -0.539 30 20 DBED COCC1(CNC(=O)CN(C)C(C)=O)CCN(CC#N)CC1 1162111760 HEUMRRMJFCTCIK-UHFFFAOYSA-N 310.398 -0.167 30 20 DBED CNS(=O)(=O)CCC(=O)NCCC1(CNCC#N)CC1 1164514342 QDAQUVAGMVJEIZ-UHFFFAOYSA-N 302.400 -0.675 30 20 DBED C=CCCNCC1(CCNC(=O)CNC(=O)CNC(C)=O)CC1 1165795954 INTXXJHLIBKWLR-UHFFFAOYSA-N 324.425 -0.309 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1cc(COC)on1 1167750859 OKJQFGLNJOODMM-UHFFFAOYSA-N 308.338 -0.720 30 20 DBED CN(C)[C@@H]1CCC[C@H](C(=O)NCCCNCC(=O)NCC#N)C1 1171161525 NUPPQXNMOKWALH-UONOGXRCSA-N 323.441 -0.158 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@](C)(NC(C)=O)C(C)C 1177187030 AEQXTUJARFZKID-MRXNPFEDSA-N 324.425 -0.618 30 20 DBED COCC#CCNCCCNC(=O)c1ccc(C(N)=O)cn1 1177358934 VKMKXOFATZYAMF-UHFFFAOYSA-N 304.350 -0.460 30 20 DBED C#CCNC(=O)CC(=O)NCCCCCCN[C@H](C)C(N)=O 1178262281 HJDHZOUDCGPZJU-GFCCVEGCSA-N 310.398 -0.734 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CCCCO2)[C@H]1C 1178467397 HTIWJLUGNYINLV-IHRRRGAJSA-N 307.394 -0.116 30 20 DBED CC#CCNC[C@@H]1CCN(C(=O)CN2CCOCC2=O)C[C@@H]1C 1184578711 WHIICVVQTGZPOD-GJZGRUSLSA-N 321.421 -0.057 30 20 DBED C#CCNC[C@@H]1CCN(C(=O)CN2CCN(C)C(=O)C2)C[C@H]1C 1184693748 UIEUCLTWAOUIJC-CABCVRRESA-N 320.437 -0.532 30 20 DBED C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H]1CCN(C(=O)C(N)=O)C1 1185321969 RWJFSRVADZTUKP-NWDGAFQWSA-N 310.398 -0.525 30 20 DBED C=CCNC(=O)[C@@H](C)N(C)[C@@H]1CCN(C(=O)CN(C)C(C)=O)C1 1188973814 JDAWSLMHBGGVEE-TZMCWYRMSA-N 324.425 -0.312 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@H](N(C)CCOCCO)C1 1190725779 RLLANSNHOGMUSJ-HOTGVXAUSA-N 323.437 -0.374 30 20 DBED N#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2[C@H]3CCCC[C@H]32)C1 1192028114 FXSVAXMOPBSRHR-OKWIKPQFSA-N 320.393 -0.776 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(Cc2cn(CC)nn2)C[C@H]1O 1192509911 FPGOFJBHFSYHBG-ZIAGYGMSSA-N 305.382 -0.237 30 20 DBED CN(CC(=O)NCC#N)[C@H]1CCN(C(=O)Cc2ccc[nH]2)C1 1194165103 XFBXOCYNKANPHO-ZDUSSCGKSA-N 303.366 -0.270 30 20 DBED N#CCSCC(=O)N1CCCN(CCOCCO)CC1 1194919015 HHXMRXAITNJZHJ-UHFFFAOYSA-N 301.412 -0.214 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1 1197172623 OQUVRTCZJJWSJU-UPJWGTAASA-N 322.409 -0.667 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)CCNC(=O)c2cccs2)C1 1198571384 XUFMEQPTAHEHCC-GHMZBOCLSA-N 322.390 -0.447 30 20 DBED C[C@@H](NC[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCCO1)C(N)=O 1200199161 FEIBLVAQWVIYTG-ZYHUDNBSSA-N 319.365 -0.419 30 20 DBED C#CCCNC[C@H]1CN(C(=O)[C@@H]2CC(=O)N(C)C2)CCCO1 1200626921 DZOAKVBCHAGLQC-KGLIPLIRSA-N 307.394 -0.305 30 20 DBED C=CCNC(=O)[C@@H](C)NC1CCN(C(=O)C(C)(C)C(N)=O)CC1 1201149962 QRBXSXLVVYEPDX-LLVKDONJSA-N 324.425 -0.231 30 20 DBED N#CCNC[C@@H]1CN(C(=O)C2CCN(C(N)=O)CC2)CCCO1 1202021404 LBRKUAKTXVHJKM-CYBMUJFWSA-N 323.397 -0.492 30 20 DBED C#CCN[C@@H]1C[C@@H](NC(=O)CN(C)S(C)(=O)=O)C12CCC2 1202995595 ODSBVDLOGJFIJK-VXGBXAGGSA-N 313.423 -0.472 30 20 DBED C#CCCNC1CCN(C(=O)CN(C)S(=O)(=O)CC)CC1 1203143069 ITDMGUGOTOXRAE-UHFFFAOYSA-N 315.439 -0.128 30 20 DBED CC#CCNC1CCN(C(=O)CN2C(=O)CN(C)C2=O)CC1 1203616963 BBRMVQHCTWWXMN-UHFFFAOYSA-N 306.366 -0.516 30 20 DBED C#CCNC(=O)[C@H](C)NC1CCN(C(=O)c2ccn(C)n2)CC1 1203705482 XAWROYVFPPNBRW-LBPRGKRZSA-N 317.393 -0.248 30 20 DBED COCC#CCNCC1CCN(C(=O)CNC(=O)OC)CC1 1204649534 IGSKPTFHBSMJAI-UHFFFAOYSA-N 311.382 -0.180 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)c1ccncc1 1205737475 XYSXSOIFRNJHOY-DGCLKSJQSA-N 301.350 -0.229 30 20 DBED C=CCOCC(=O)N1CCC[C@@H](NCCN2C(=O)CCC2=O)C1 1207680073 IQIRXIMAUMGOPL-CYBMUJFWSA-N 323.393 -0.081 30 20 DBED C#CCCN[C@H]1CCCN(C(=O)CCn2cc[nH]c(=O)c2=O)C1 1210154607 MSDGDDJWXWNNJV-ZDUSSCGKSA-N 318.377 -0.469 30 20 DBED C=CCOCC(=O)N1C[C@@H](N[C@H](C)c2nnnn2C)[C@H](C)C1 1214331780 RKBSFMDWQNTNKQ-IJLUTSLNSA-N 308.386 -0.090 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](NCC(=O)N(C)CC)[C@H](C)C1 1214471782 CUHSKHKKJYERMY-CHWSQXEVSA-N 322.409 -0.959 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCO[C@@H]2CN(Cc3cnon3)C[C@@H]21 1217762311 BVLSSSGFQFMLMY-GZBFAFLISA-N 322.365 -0.192 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)/C=C(/C)C2CC2)C1 1219279736 YPUJGLRTMDEGCE-QCBUVIIYSA-N 307.394 -0.194 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(CCc2ccnn2C)C[C@@H]1O 1219536727 XKUZUNISPWMXIZ-YCPHGPKFSA-N 322.409 -0.549 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(CC(=O)N(C)C2CC2)C[C@@H]1O 1219572942 GBQWVMFXBWNGDI-KGLIPLIRSA-N 307.394 -0.572 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)COCc2ccnn2C)C1 1219863811 AWQHUCOJRKUGQG-KGLIPLIRSA-N 308.382 -0.326 30 20 DBED C=CCC[C@H](C)N1C[C@H](O)[C@H](NC(=O)C(=O)NCC(F)F)C1 1219926034 ICHMEIPTIXNAMZ-AXFHLTTASA-N 319.352 -0.116 30 20 DBED C=CCNC(=O)CN1CC[C@H]1CN(C)C(=O)c1n[nH]c(C)c1O 1233633746 DCXXJILRGJDZRY-NSHDSACASA-N 321.381 -0.128 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C[C@@H]1CCN1CC(=O)NC(=O)NC 1234264416 AOAXEHHVKFAIDU-NEPJUHHUSA-N 324.381 -0.987 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)CCCNC(=O)c1ccnn1C 1235307000 JJHUOHDHOQQBGV-GFCCVEGCSA-N 305.382 -0.390 30 20 DBED COC(=O)CN(CC#N)C(=O)CCN/C(O)=C1/N=CC=CC1=O 1252410726 RPRZPCKYLBJVRM-YPKPFQOOSA-N 320.305 -0.572 30 20 DBED Cc1cc2n[nH]cc2cc1NC(=O)C(=O)NCC(=O)NCC#N 1261093715 RBQIVSFDZZTBKX-UHFFFAOYSA-N 314.305 -0.434 30 20 DBED CC[C@@H](C)NC(=O)[C@H](C)NC(=O)C(=O)Nc1cnn(CC#N)c1 1319553753 NKWVLWSTEXXMLE-ZJUUUORDSA-N 320.353 -0.235 30 20 DBED C[C@@]1(O)CCCN(C(=O)C(=O)NC2CCN(CC#N)CC2)CC1 1322620879 CZCKXMCXRGPGQB-MRXNPFEDSA-N 322.409 -0.146 30 20 DBED COC(=O)CN(CC#N)C(=O)Cn1nc2n(c1=O)CCCCC2 1323067360 VDPULGPJQSCASM-UHFFFAOYSA-N 321.337 -0.704 30 20 DBED C=CCNC(=O)[C@H](C)S(=O)(=O)Cc1noc(COC)n1 1325058572 VEYJDSMBNONELZ-QMMMGPOBSA-N 303.340 -0.179 30 20 DBED CN1CCC[C@H](CN(C)C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)C1 1326249683 PENXWTNXALUEBJ-BBRMVZONSA-N 322.409 -0.336 30 20 DBED CN1CCC[C@H](CN(C)C(=O)C(=O)N2CC[C@](O)(CC#N)C2)C1 1326249705 PENXWTNXALUEBJ-XJKSGUPXSA-N 322.409 -0.336 30 20 DBED C#CCCCCNC(=O)C(=O)NC[C@H](C)CN1CCOCC1 1328011868 HOEDVTNOFKKMRN-AWEZNQCLSA-N 309.410 -0.009 30 20 DBED CC(C)[C@H](C(=O)O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1329579460 MOLSIJVBPCIUIO-KAMHRAILSA-N 309.322 -0.014 30 20 DBED CN(Cc1cn(C)nn1)C(=O)C(=O)N1CCC[C@H](CC#N)C1 1330470770 AGTDQVRBOPMWOJ-LLVKDONJSA-N 304.354 -0.074 30 20 DBED C#C[C@@H](NC(=O)C(=O)N[C@@H]1CCN(C(C)=O)C1)[C@@H]1CCCO1 1331076959 HNTMKXYQDDMRGX-UPJWGTAASA-N 307.350 -0.980 30 20 DBED CO[C@@H]1CCCN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1 1331989218 QWWAOYLTSSGNIH-UONOGXRCSA-N 320.393 -0.177 30 20 DBED CCCNCCNC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1333615296 RWVTTYDQNKLRTD-ZDUSSCGKSA-N 307.398 -0.699 30 20 DBED C=C(C)COCCn1nnnc1N1C[C@H]2C(=O)N(C)C(=O)[C@H]2C1 1334278684 SLFPBQSEGSHGBD-PHIMTYICSA-N 320.353 -0.683 30 20 DBED C=CCOCCn1nnnc1N1CCO[C@@H](CNC(C)=O)C1 1352362343 LKQWMQVCKYUYJW-LBPRGKRZSA-N 310.358 -0.783 30 20 DBED N#Cc1ccc(C(=O)N[C@H](CNC(=O)c2cnn[nH]2)C2CC2)[nH]1 1372394750 GYCDUYKOKMXDIK-LLVKDONJSA-N 313.321 -0.057 30 20 DBED C=C(Cl)CN1CC(CNC(=O)CNC(=O)CNC(C)=O)C1 1373519647 QGKNHMNGRVGRNB-UHFFFAOYSA-N 316.789 -0.961 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCN1CCN(C(=O)[C@@H](C)C#N)CC1 1374448143 UKSCCHFOGWPERB-STQMWFEESA-N 305.382 -0.092 30 20 DBED C=C(Cl)CNC[C@@H](O)CNC(=O)[C@H]1CCCN(C(N)=O)C1 1374631764 VJKNEEINLORROA-WDEREUQCSA-N 318.805 -0.404 30 20 DBED C[C@@H](C#N)C(=O)NC1CN(C(=O)c2cc(CN(C)C)on2)C1 1374751507 RXQMJNIKBLSCNO-VIFPVBQESA-N 305.338 -0.164 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](NC(=O)Cn1ncnn1)C(C)(C)C 1383297193 QMDKGHHTBLHFOI-UWVGGRQHSA-N 307.358 -0.520 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](C)CCNC(=O)C(C)(C)S(C)(=O)=O 1386775060 MKHHDNLUKPWUQT-VHSXEESVSA-N 317.411 -0.020 30 20 DBED C[C@H](C#N)C(=O)NC1CN(C(=O)c2cccc(C(N)=O)n2)C1 1389405753 POIOKIGAMDJJAH-MRVPVSSYSA-N 301.306 -0.719 30 20 DBED CC(C)c1cc(C(=O)NC[C@H](O)CNC(=O)[C@H](C)C#N)n[nH]1 1392157466 HNFNIYQDEHHOMN-NXEZZACHSA-N 307.354 -0.100 30 20 DBED CO[C@@H](C)C(=O)N1CCN(CCN(C)C(=O)[C@H](C)C#N)CC1 1398469784 XTSPIEJIIYDCBH-OLZOCXBDSA-N 310.398 -0.216 30 20 DBED CCN1CCOC[C@@H]1C(=O)N1CC(CNC(=O)[C@H](C)C#N)C1 1398814735 NNJZXIFUIZBWAG-DGCLKSJQSA-N 308.382 -0.559 30 20 DBED C=C(Cl)CNC[C@H](O)CNC(=O)c1ccc(=O)n(C)n1 1406274617 FYRULBBSIPOIHR-VIFPVBQESA-N 300.746 -0.787 30 20 DBED COC(=O)C1(C#N)CCN(C(=O)CCNS(C)(=O)=O)CC1 1412942631 XHGYKTDXALERQM-UHFFFAOYSA-N 317.367 -0.769 30 20 DBED Cc1noc(C)c1CC(=O)N(C)C[C@H](O)CNC(=O)[C@H](C)C#N 1413261572 VMOIITDTRKDGDJ-BXKDBHETSA-N 322.365 -0.071 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1cnc2nccn2c1 1416780409 NENVPQHDUPIBNG-GXSJLCMTSA-N 316.321 -0.904 30 20 DBED Cc1nnc(N2CCC(C#N)CC2)n1CCNS(C)(=O)=O 1417472060 MXRZZCRFUFFNQT-UHFFFAOYSA-N 312.399 -0.124 30 20 DBED C=C(Cl)CNC[C@@H](O)CN(C)C(=O)c1cccn2nnnc12 1423435526 ALSXWFWFRDXETM-SNVBAGLBSA-N 324.772 -0.101 30 20 DBED CC[C@@H](CNC(=O)CCS(C)(=O)=O)NC(=O)[C@H](C)C#N 1430637575 UTIPCRHUEGPPFQ-ZJUUUORDSA-N 303.384 -0.408 30 20 DBED C[C@H](C(=O)NCCn1cc(C#N)c(O)nc1=O)c1cnn(C)c1 1434207916 PIULKZMULIWESW-VIFPVBQESA-N 316.321 -0.526 30 20 DBED Cn1cc(S(=O)(=O)NCc2cccc(C#N)c2)c(O)nc1=O 1462929249 VIUASZDUEZBENU-UHFFFAOYSA-N 320.330 -0.164 30 20 DBED CC1(C)[C@H](NC(=O)Cn2cc(C#N)c(O)nc2=O)[C@H]2CCO[C@H]21 1465323369 TUTPKTAAHOYYGI-YUSALJHKSA-N 318.333 -0.250 30 20 DBED COCCN(CCNC(=O)Cc1n[nH]c(C)n1)C(=O)[C@@H](C)C#N 1488536011 IIHKENXGMLVMPZ-JTQLQIEISA-N 322.369 -0.594 30 20 DBED C=C(Cl)CNC[C@H](O)CNC(=O)C1(S(C)(=O)=O)CCC1 1497079981 FYANLFUDLRAFNA-JTQLQIEISA-N 324.830 -0.227 30 20 DBED O=C(O)C(=O)N1CCN(C(=O)NCC#Cc2ccccc2)CC1 1521145418 VMTCOQWNPCPSNC-UHFFFAOYSA-N 315.329 -0.024 30 20 DBED CCS(=O)(=O)CCN(C)c1cnc(-c2nn[nH]n2)c(C#N)n1 1570931766 NIFPLGIPHRDILQ-UHFFFAOYSA-N 322.354 -0.601 30 20 DBED C#Cc1ccc(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)O)cn1 1588432864 GDJXROATCHFPDB-LLVKDONJSA-N 308.315 -0.613 30 20 DBED CC1=NNC(=O)[C@H]1Sc1nc(N)c(C#N)cc1-c1nn[nH]n1 1590160932 JSVUOAMGBSDAEX-ZETCQYMHSA-N 315.322 -0.318 30 20 DBED N#Cc1c[nH]c(C(=O)NCCNc2ccc(-c3nn[nH]n3)nn2)c1 1592686405 KOLOOODWIFORRO-UHFFFAOYSA-N 324.308 -0.302 30 20 DBED Cc1cnc(Cn2c(=O)c(C#N)cn(CC(=O)O)c2=O)cn1 1605374271 ZCPRRNBQBWMIAK-UHFFFAOYSA-N 301.262 -0.887 30 20 DBED CCN1CCOC[C@@H]1C(=O)N1CCC[C@@H]1CNCC#CCOC 1716779790 HJKCWPZNKDRBDF-HZPDHXFCSA-N 323.437 -0.063 30 20 DBED C=CCNC(=O)CN1CCCC[C@H]1CNC(=O)C(C)(C)C(N)=O 1752821833 UIATZAMUYDFEEG-LBPRGKRZSA-N 324.425 -0.229 30 20 DBED C[C@@H](CNC(=O)c1c(C2CC2)cnn1C)NCC(=O)NCC#N 1752880328 SKAQQVYSVLJJBA-JTQLQIEISA-N 318.381 -0.355 30 20 DBED C#CCNC(=O)CN1CC[C@H](CNC(=O)C[C@@H]2CCN(C)C2)C1 1753138023 PMNQKHZSEZXGMD-LSDHHAIUSA-N 320.437 -0.484 30 20 DBED C#CCNC(=O)[C@H](C)N1CC(NC(=O)c2c(C)cnn2C)C1 1753383821 GZPLAERFKOMJMQ-NSHDSACASA-N 303.366 -0.720 30 20 DBED C[C@@H]1CN(C(=O)c2cc[nH]n2)CC[C@H]1NCC(=O)NCC#N 1753751414 QJMJIDZLVMZLBP-GHMZBOCLSA-N 304.354 -0.510 30 20 DBED CC#CCN[C@@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C[C@@H]1C 1753761066 KOMRUXDITOYIIM-WCQYABFASA-N 305.378 -0.111 30 20 DBED CC#CCNC[C@@H](O)CNC(=O)c1cnn(-c2ccccn2)c1 1753931156 XFHAXFQKQOBRDP-CQSZACIVSA-N 313.361 -0.029 30 20 DBED CC#CCNC[C@@H](O)CNC(=O)c1cnn2ccc(C)nc12 1753933143 DZHREAYDAGPZCH-GFCCVEGCSA-N 301.350 -0.259 30 20 DBED CCN(CCNCc1nc(=O)n(C)[nH]1)C(=O)c1c[nH]c(C#N)c1 1754041145 DETBFQOOULLMQE-UHFFFAOYSA-N 317.353 -0.440 30 20 DBED CCc1cc(C(=O)N[C@@H](C)CN(C)CC(=O)NCC#N)n[nH]1 1754302842 OQEIBJZCYGMJFR-JTQLQIEISA-N 306.370 -0.338 30 20 DBED C#CCCNC1(CNC(=O)CCc2nnc(O)nc2O)CC1 1754519051 PQOBEZDHNHSCRG-UHFFFAOYSA-N 305.338 -0.523 30 20 DBED CC(C)C#CC(=O)NCCN1CCC(N[C@@H](C)C(N)=O)CC1 1754848622 NPVVFSMIYXPAIO-ZDUSSCGKSA-N 308.426 -0.310 30 20 DBED N#CCNC1CCN(CCNC(=O)CCN2CCOCC2)CC1 1754850069 SHDRGRYJOUVIMZ-UHFFFAOYSA-N 323.441 -0.598 30 20 DBED Cn1cnc(C(=O)N[C@H]2CCCN(CC(=O)NCC#N)CC2)n1 1755024469 ZDLTUYYQPUTNCR-NSHDSACASA-N 319.369 -0.961 30 20 DBED CC#CCN[C@]1(CO)CCCN(C(=O)[C@@H]2CCNC(=O)CC2)C1 1755087467 VBFQDONLCBXJFS-WMLDXEAASA-N 321.421 -0.131 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(CNC(=O)CCOCC#C)[C@@H]2C1 1755422662 ICSYDRVYOBRWTH-GJZGRUSLSA-N 317.389 -0.930 30 20 DBED C[C@@H](CCCNCC#N)NC(=O)CN1CCCS1(=O)=O 1755502988 LWDVUGVXYFEBCF-NSHDSACASA-N 302.400 -0.580 30 20 DBED Cn1cc(-c2ccc(C(=O)NC[C@H](CO)NCC#N)o2)cn1 1755643885 SPTWBJYGWHPQQM-LLVKDONJSA-N 303.322 -0.116 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)[C@H](C)CNC(=O)Cn1cncn1 1756072532 UGEFMCAUKHYKET-NEPJUHHUSA-N 307.354 -0.721 30 20 DBED C=CCOCC(=O)NC[C@@H](C1CC1)N(C)C(=O)c1nnn(C)n1 1756419187 LDVOIFRIWYMTBO-NSHDSACASA-N 322.369 -0.621 30 20 DBED C#CCCCC(=O)NC[C@H](CO)NC(=O)c1c(C)ncnc1O 1756516264 YPOZLFUNTDENFP-LLVKDONJSA-N 320.349 -0.499 30 20 DBED C#CCCCC(=O)N[C@@H]1CCN(C(=O)Cn2cnnn2)[C@@H]1C 1756553426 DTDRTOJOALIJLI-VXGBXAGGSA-N 304.354 -0.418 30 20 DBED CC(C)C#CC(=O)N(C)C[C@H](O)CNC(=O)[C@]1(C)CNC(=O)C1 1756661989 HIVABMQHLIXDHT-WBMJQRKESA-N 323.393 -0.893 30 20 DBED C=CCCCC(=O)N(C)C[C@H](O)CNC(=O)c1c[nH]c(=O)cn1 1756677680 ZRTDPOICHCRNIK-LLVKDONJSA-N 322.365 -0.325 30 20 DBED C=CCO[C@@H](C)C(=O)N1C[C@H](O)[C@H](NC(=O)c2ocnc2C)C1 1757164489 OFGNNVCPAVSNDT-TUAOUCFPSA-N 323.349 -0.124 30 20 DBED C#CCNC(=O)CNS(=O)(=O)c1cc(C(=O)O)ccc1F 1776134778 TTYMDDCQMSZLDA-UHFFFAOYSA-N 314.294 -0.448 30 20 DBED Cn1ncc(C(=O)O)c1/C=C\C(=O)c1cn(CC(=O)O)nn1 1777564465 ZMHMVQNBLIJSDF-IHWYPQMZSA-N 305.250 -0.310 30 20 DBED C[C@@H](O)C(=O)N1CC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1783516037 GQMDZCZZJDKTDJ-WBMJQRKESA-N 306.362 -0.390 30 20 DBED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C2)C1 1784855595 UYQXQUZVWZWJPG-DMEJVMROSA-N 304.346 -0.658 30 20 DBED C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](O)NC(=O)OCC 1798267488 OXCDMUSZLMNNNO-LSCVPOLPSA-N 323.349 -0.678 30 20 DBED N#CCCNC(=O)COC(=O)CNC(=O)Cc1ccccc1 7428282 SNRTVQIYEDCDSJ-UHFFFAOYSA-N 303.318 -0.082 30 20 DBED CCCCCN(CC(N)=O)c1c(C#N)c(=O)n(C)c(=O)n1C 180228275 NAWURHWUBLLDKN-UHFFFAOYSA-N 307.354 -0.562 30 20 DBED CCN(CC#N)C(=O)[C@H](C)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 266706361 ZDXLJBSODNCTNS-VSSNEEPJSA-N 305.334 -0.091 30 20 DBED Cc1nc(C)n(C2CN(c3c(C#N)c(=O)n(C)c(=O)n3C)C2)n1 285708531 ROWHCQAMZAJUEL-UHFFFAOYSA-N 315.337 -0.775 30 20 DBED COCC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)o2)CC1 286505764 DUCJQZKJFHOKLV-UHFFFAOYSA-N 313.335 -0.369 30 20 DBED N#Cc1ncn(CCNC(=O)[C@@H]2COCCN2CC2CCC2)n1 286975439 SSTVQANHJGGULB-ZDUSSCGKSA-N 318.381 -0.233 30 20 DBED CC(C)N1CC[C@H](/N=C(/O)N[C@@H]2CS(=O)(=O)C[C@@H]2C)C1=O 329615023 PKBBYTMCDQWPMP-GARJFASQSA-N 317.411 -0.068 30 20 DBED CC(C)[C@H](/C(O)=N/Cc1nnnn1C)N1CCCS1(=O)=O 330060579 MXFHCCWLZHMMFU-SNVBAGLBSA-N 316.387 -0.273 30 20 DBED N=C(O)[C@@H]1CCCN(CCC/N=C(/O)N2CCNC(=O)C2)C1 330933953 GHWYSSWVPJAOJA-LLVKDONJSA-N 311.386 -0.030 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N[C@H]1CCCC[C@@H]1C(N)=O 336936462 GCPAJRIJYFHNJF-VWYCJHECSA-N 302.400 -0.044 30 20 DBED CCOC(=O)CN(CCOC)S(=O)(=O)N(C)[C@@H](C)CC#N 337954720 SZWNTQXYKVPDOW-NSHDSACASA-N 321.399 -0.023 30 20 DBED Cc1cc(C(=O)N[C@@H](CO)C(N)=O)nn1-c1cccc(C#N)c1 341732003 QEGAIOJKIAIPIR-ZDUSSCGKSA-N 313.317 -0.372 30 20 DBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](C)CO 343178396 QAMOXSSHYQVWTF-ZJUUUORDSA-N 311.363 -0.278 30 20 DBED C=CCCCNC(=O)CCS(=O)(=O)NCC(=O)NC(C)C 344458438 GCIAPDKXBLWFPX-UHFFFAOYSA-N 319.427 -0.097 30 20 DBED C[C@H]1C[C@@H](C)N(S(=O)(=O)CCCS(=O)(=O)NCC#N)C1 349480413 XHMGXDRGVONVCT-WDEREUQCSA-N 323.440 -0.120 30 20 DBED C=CCOC[C@@H](NC(=O)[C@@H]1CCc2nnn(C)c2C1)C(=O)OC 356338145 IYVSGCOLYUXHQH-ZYHUDNBSSA-N 322.365 -0.220 30 20 DBED C=CCCC(=O)N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 376496730 YVJYHVKMWNJINC-RYUDHWBXSA-N 302.396 -0.433 30 20 DBED C=CCCn1cc(C(=O)N2CCC[C@H](O)[C@H]2C(=O)OC)nn1 424792399 CQHKXKHZIQPPKN-RYUDHWBXSA-N 308.338 -0.007 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2ccnc(F)c2)CC1 491523805 HKFXPFGHAGFFQH-UHFFFAOYSA-N 304.325 -0.272 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)C(=O)c2ccc[nH]2)CC1 491643053 DIQNPSJJJSAUCK-UHFFFAOYSA-N 302.334 -0.909 30 20 DBED C[C@@H](C(=O)N(C)CC(=O)N[C@@]1(C#N)CCOC1)n1cccn1 547811218 PFIVXDQTFIOFGY-SMDDNHRTSA-N 305.338 -0.299 30 20 DBED N#C[C@H]1CN(S(=O)(=O)N2CCO[C@H]3CCC[C@H]32)CCO1 548773808 VTXVIFBYMQQHKI-TUAOUCFPSA-N 301.368 -0.291 30 20 DBED C[C@H]1CN(CCNS(=O)(=O)N(C)[C@@H](C)CC#N)CCO1 548983070 PBHLUYIFJMHYTK-RYUDHWBXSA-N 304.416 -0.225 30 20 DBED C[C@](C#N)(NC(=O)CN1C(=O)N[C@@]2(CCCNC2)C1=O)C1CC1 568626304 QKKWEPNKMJCXGE-HUUCEWRRSA-N 319.365 -0.531 30 20 DBED CN(CCO)C(=O)C(=O)N1CCN(c2ccsc2C#N)CC1 595118742 GRXQEQFNJHHGMW-UHFFFAOYSA-N 322.390 -0.281 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1CC(CN(C)C)C1 601424001 TVUBUXUJWJNKTA-UHFFFAOYSA-N 304.416 -0.413 30 20 DBED CN1CCN(C(=O)CN(C)C(=O)c2ccc(C#N)cn2)CC1 609354928 UNZBXGHLODOOBP-UHFFFAOYSA-N 301.350 -0.201 30 20 DBED CNC(=O)[C@H](CC(C)C)NS(=O)(=O)N1CCO[C@@H](C#N)C1 619712704 HRDLQSZEHNDLFR-QWRGUYRKSA-N 318.399 -0.794 30 20 DBED CC#CC[C@H](CO)NC(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 645385983 ADENZFVNZAGWSQ-VXGBXAGGSA-N 317.411 -0.659 30 20 DBED CNC(=O)CNC(=S)NN=Cc1cc2c(cc1O)OCO2 731929048 LFPKINGEEGBBIB-UHFFFAOYSA-N 310.335 -0.335 30 20 DBED COc1cc(C#N)ccc1OC(=O)CN1C(=O)C(=O)N(C)C1=O 733090149 XKBOTFJEAOQXLZ-UHFFFAOYSA-N 317.257 -0.107 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N[C@@H]1CCN(C(=O)CC)C1 783011552 LPWSAPZENUIROV-LLVKDONJSA-N 317.411 -0.103 30 20 DBED N#Cc1cncc(S(=O)(=O)NC(=O)C[C@H]2CCCC(=O)N2)c1 813984669 ZKDQERHPBHUYJM-SNVBAGLBSA-N 322.346 -0.183 30 20 DBED CC(C)(O)CN1CCC(=NNC(=S)NCC(N)=O)CC1 814221417 CDHWDOQYLKWKBJ-UHFFFAOYSA-N 301.416 -0.842 30 20 DBED NC(=O)c1ccc(C(=O)N[C@H]2CCCN(O)C2=O)nc1Cl 816759156 GRQZZRNTUHDABK-QMMMGPOBSA-N 312.713 -0.056 30 20 DBED C#CCN1CCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 819701431 HEVVPSOABTUXCI-UHFFFAOYSA-N 314.309 -0.075 30 20 DBED C[C@](C#N)(CC(=O)O)C(=O)N1CCN(CC(=O)NC2CC2)CC1 819823425 UQXWHHJKWAEWPJ-OAHLLOKOSA-N 322.365 -0.586 30 20 DBED CN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)Cn1cnc(C#N)n1 821612125 KDFPVEQLBPYEFE-UHFFFAOYSA-N 323.320 -0.012 30 20 DBED Cn1cc(-c2nn[nH]n2)c(NC(=O)N2CCO[C@H](C#N)C2)n1 822608792 HTEQESBDHNGVHO-SSDOTTSWSA-N 303.286 -0.644 30 20 DBED C#C[C@@H](C)N(C)C(=O)CS(=O)(=O)CC(=O)N(C)[C@H](C)C#C 847955753 QCKYYJUNMACZLD-VXGBXAGGSA-N 312.391 -0.639 30 20 DBED CS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCN(O)C2=O)o1 848135989 KMNBIQAUHYBMPE-SSDOTTSWSA-N 302.308 -0.207 30 20 DBED CN1C(=O)N(CC(=O)NCC#N)S(=O)(=O)c2ccccc21 849921341 ZACJIQMTBHWQOJ-UHFFFAOYSA-N 308.319 -0.113 30 20 DBED C#CC[C@H](CO)NC(=O)[C@H](CO)NC(=O)Cc1ccc(F)cc1 854550390 SPMPAGQJXYIBGL-KGLIPLIRSA-N 322.336 -0.654 30 20 DBED C#CCSCCOC(=O)c1cn(C[C@@H]2CNC(=O)O2)nn1 893015610 SATTYSHXJYDZIM-VIFPVBQESA-N 310.335 -0.090 30 20 DBED N#Cc1ncccc1S(=O)(=O)N1CC(N2CCCC2=O)C1 907737611 OYCVAVXKSZGPQK-UHFFFAOYSA-N 306.347 -0.051 30 20 DBED C#CC[C@@H](CO)NC(=O)NCCCN(C)S(=O)(=O)CC 914174306 PBUYMCFTPBEZBE-NSHDSACASA-N 305.400 -0.659 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2ncn(C)n2)C1 937905147 IWDIRAOMEAIANX-TUAOUCFPSA-N 319.365 -0.263 30 20 DBED C#Cc1cncc(C(=O)N[C@H]2CCN(C(=O)CC(N)=O)C2)c1 938702966 HJYODNUSSCAIQU-LBPRGKRZSA-N 300.318 -0.731 30 20 DBED N#Cc1cc(C(=O)N2CC[C@H]3CN(C(=O)C(N)=O)CC[C@@H]32)c[nH]1 946026478 XNVLBCMTXHHPAK-CABZTGNLSA-N 315.333 -0.565 30 20 DBED N#CCN1CCC2(CC1)CN(C(=O)CCn1ccnn1)CCO2 949081696 WHAILJWXOGPFKV-UHFFFAOYSA-N 318.381 -0.115 30 20 DBED C#CCN1CCOC2(CCN(C(=O)CCn3cncn3)CC2)C1 949298402 IHAWKWGHSXQJJZ-UHFFFAOYSA-N 317.393 -0.005 30 20 DBED COc1cc(C(=O)NC[C@H]2CCN2C(=O)[C@H](C)C#N)nn1C 951318056 GQBOTTIHWQFWFK-NXEZZACHSA-N 305.338 -0.081 30 20 DBED CN(C(=O)c1ccn2nnnc2c1)C1CN(C(=O)C#CC2CC2)C1 954953331 HLANNSVPGIMXQH-UHFFFAOYSA-N 324.344 -0.180 30 20 DBED Cn1cc(C(=O)NC[C@@H]2CN(CC#N)C[C@@H]2O)c(C2CC2)n1 958100608 CVVUMQWVJQNQNM-YPMHNXCESA-N 303.366 -0.156 30 20 DBED COc1cncc(C(=O)NC[C@@H]2CN(CC#N)C[C@@H]2O)c1C 958180065 XXCKFFPGMSHSMH-YPMHNXCESA-N 304.350 -0.055 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cccc(C(N)=O)c2)C1 958190496 HXDPNDBBETZWSU-UONOGXRCSA-N 301.346 -0.559 30 20 DBED CC#CCN1C[C@@H](O)[C@H](CNC(=O)c2cn(C)nc2COC)C1 958190551 IRESNMOOAJZHDQ-IUODEOHRSA-N 320.393 -0.388 30 20 DBED CC#CCN1C[C@H](CNC(=O)c2cnc3nccn3c2)[C@@H](O)C1 958253358 HSXBBOZSLAPFRD-JSGCOSHPSA-N 313.361 -0.225 30 20 DBED Cn1nc2c(c1C(=O)NC[C@H]1CN(CC#N)C[C@H]1O)CCC2 958588803 YLQTWFPCYIRSJL-GXFFZTMASA-N 303.366 -0.545 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H]2CN(C(=O)c3ncc[nH]3)C[C@@H]21 960885017 VRIQFZJIWBITAE-OUAUKWLOSA-N 303.322 -0.379 30 20 DBED CO[C@H]1C[C@H](C(=O)NC2[C@@H]3CN(CC#N)C[C@@H]23)N(C(C)=O)C1 961359194 PHGFVJZOAVWVNA-UMSGYPCISA-N 306.366 -0.808 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CN(C(=O)[C@]3(C)CNC(=O)C3)C[C@H]2C1 961940806 VKPALYXCWWOHIJ-YMEQNVIZSA-N 318.377 -0.411 30 20 DBED Cc1cc(C(=O)NC[C@H]2COCCN2C(=O)[C@H](C)C#N)nn1C 964114113 NPWQPHSQYDPCSL-PWSUYJOCSA-N 319.365 -0.155 30 20 DBED O=C(Cc1cnoc1)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 969904693 AOMXBYBBJAQNFF-OLZOCXBDSA-N 303.318 -0.682 30 20 DBED N#CCN1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCN3C(N)=O)C2)C1 972696814 PMWMUASZLWBUIJ-WFASDCNBSA-N 321.381 -0.644 30 20 DBED CC#CCN1C[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C(C)(C)C1 974674126 IOBQLESPRBIFSB-QWRGUYRKSA-N 306.366 -0.566 30 20 DBED COc1cncc(C(=O)N[C@H]2[C@@H]3CN(C(=O)[C@H](C)C#N)C[C@@H]32)n1 976500672 MVZUGDPHOOQKJH-DNJQJEMRSA-N 315.333 -0.169 30 20 DBED CC#CCN1C[C@@H](NC(=O)CN2CC(=O)NC2=O)C(C)(C)C1 977360892 GOTJPPOUTKSMSW-LLVKDONJSA-N 306.366 -0.612 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]1CN(C)C(=O)c1cnn(C)c1N 977619941 KPFOTIXMEZNACD-UWVGGRQHSA-N 304.354 -0.165 30 20 DBED Cc1nc2n(n1)C[C@H](C(=O)NCC1[C@@H]3CN(CC#N)C[C@@H]13)CC2 978530075 ONTXFAMWXKXFBO-XBFCOCLRSA-N 314.393 -0.034 30 20 DBED Cc1nnc2n1C[C@H](C(=O)NC[C@H]1[C@@H]3CN(CC#N)C[C@H]13)CC2 979099640 HEPSMZPFJGUOAC-SYQHCUMBSA-N 314.393 -0.034 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCC[C@@H](NC(=O)C(N)=O)C2)nn1 983607721 XPDZZHHWQDWMQL-NXEZZACHSA-N 320.353 -0.893 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)c2cc[n+]([O-])cc2)C1 990154616 ZHJFOGZECWWZPB-KGLIPLIRSA-N 317.345 -0.148 30 20 DBED C[C@@H](C(=O)N1CC(NC(=O)c2ccc(C#N)[nH]2)C1)n1cncn1 990887545 DTSFDIHLDUXVTE-VIFPVBQESA-N 313.321 -0.320 30 20 DBED C=CCCn1cc(C(=O)NC2CN(C(=O)c3nc[nH]n3)C2)nn1 991993987 AMVVXNMGWZWIFY-UHFFFAOYSA-N 316.325 -0.773 30 20 DBED N#Cc1ccc(C(=O)NCC2CC(NC(=O)c3nc[nH]n3)C2)[nH]1 992048098 YQZNATAXGOZZKK-UHFFFAOYSA-N 313.321 -0.057 30 20 DBED C#CCN1CC[C@]2(NC(=O)[C@H]3CCS(=O)(=O)N3)CCC[C@H]12 992489902 DFXZHRQPGRFHPC-MBNYWOFBSA-N 311.407 -0.576 30 20 DBED C#Cc1ccc(C(=O)N2CC(n3cc(CNC(C)=O)nn3)C2)nc1 994720348 OCYSKPMEUPEGPQ-UHFFFAOYSA-N 324.344 -0.012 30 20 DBED Cn1cc(C(=O)N2CC(CNC(=O)c3ccc(C#N)[nH]3)C2)nn1 1001478741 VTZSWFLLQMXUAU-UHFFFAOYSA-N 313.321 -0.483 30 20 DBED CC(C)N1C[C@H](C(=O)NCC2CN(C(=O)[C@@H](C)C#N)C2)CC1=O 1002443329 PUGGZXMHELJGLQ-WCQYABFASA-N 320.393 -0.022 30 20 DBED C=CCN1CCC[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)C1 1009203977 OMCQFHAIVDHJSI-SNVBAGLBSA-N 302.338 -0.202 30 20 DBED C#CCCN1CCC[C@H](NC(=O)[C@@H]2CN(C(C)=O)CCO2)C1 1009389932 VZZNKILNYKBQKR-GJZGRUSLSA-N 307.394 -0.162 30 20 DBED C=C(C)C(C)(C)C(=O)N1C[C@@H]2C(NC(=O)c3nnn(C)n3)[C@H]2C1 1013595899 JQJBRBFQVNTAAR-UWVGGRQHSA-N 318.381 -0.001 30 20 DBED C=CCN1CC[C@H](N[C@H]2C[C@H](NC(=O)[C@@H]3COCCO3)C2)C1=O 1019998535 NAMTWPGJYDLNQD-XUXIUFHCSA-N 323.393 -0.575 30 20 DBED CCCc1n[nH]cc1C(=O)N[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1O 1024530141 SNEWOKBCSQSVKM-OASPWFOLSA-N 319.365 -0.177 30 20 DBED C=CCn1cc(C(=O)N2C[C@@H]3[C@@H](CC[C@H]3NCCO)C2)nn1 1026372059 SBTINUIXBMYGPH-YNEHKIRRSA-N 305.382 -0.103 30 20 DBED C=CCN1CCC[C@H]1CNC(=O)c1cn(C)c(=O)n(C)c1=O 1028178763 QMYZCCZJGDYVMH-NSHDSACASA-N 306.366 -0.536 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCCN([C@H](CC)C(N)=O)C1 1030024747 TWOUZWVIRJNNGM-KFWWJZLASA-N 320.437 -0.072 30 20 DBED C=CCN1CC[C@@H](N2CC(CNC(=O)[C@@H]3[C@H]4COC[C@H]43)C2)C1=O 1031912319 KXQBPXSUOXRFKU-BARDWOONSA-N 319.405 -0.286 30 20 DBED CC#CCN1CC[C@H](N(C)C(=O)c2nccnc2C(N)=O)C1 1033648003 LBMBWSUAFJJRNS-NSHDSACASA-N 301.350 -0.255 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)c2cnc(O)cc2OC)C1 1035518734 PTVKVCOUBBSASS-NSHDSACASA-N 305.334 -0.140 30 20 DBED C#CCCN1CCO[C@@H](CNC(=O)c2ccc(OC)nn2)C1 1035570716 QOYAXMSBYYXSFN-LBPRGKRZSA-N 304.350 -0.061 30 20 DBED CC#CCN1CC2(CCN(C(=O)CN3CCOCC3=O)CC2)C1 1035721762 CVYRVVCKGKXASX-UHFFFAOYSA-N 319.405 -0.207 30 20 DBED Cc1cc(C)n(CC(=O)N[C@H]2[C@H]3C[C@H]2N(CC#N)C3)c(=O)n1 1037641025 LIQKTFYFGYNVCO-SCRDCRAPSA-N 301.350 -0.427 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCN1Cc1cnn(C)n1 1038366940 LAQANJHMZPUMDG-CABCVRRESA-N 316.409 -0.397 30 20 DBED NC(=O)CCCC(=O)N1CC[C@@](O)(CNC(=O)C#CC2CC2)C1 1039684582 AOFKXQDTRZWDQS-MRXNPFEDSA-N 321.377 -0.865 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@]1(O)CCN(C(=O)C2(C)CC2)C1 1039725839 LRYDGPFZIRNSFE-BLLLJJGKSA-N 308.378 -0.096 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)Cc2ccc[nH]2)C1 1039877396 FUSZFVAGZXWTBS-NHYWBVRUSA-N 304.350 -0.204 30 20 DBED COc1cc(C(=O)N2CC[C@@](O)(CNC(=O)[C@@H](C)C#N)C2)on1 1040763986 SXXTTYRCGIBEFU-LKFCYVNXSA-N 322.321 -0.464 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCCO3)C2)nc1 1040897704 CHXZQSOVPSRMRT-UPJWGTAASA-N 302.334 -0.202 30 20 DBED N#Cc1cncc(N2C[C@@H](O)[C@H](NC(=O)Cc3cnoc3)C2)n1 1041294154 FVSLASPAYGEMIZ-VXGBXAGGSA-N 314.305 -0.755 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)[C@H]2CCO[C@H]2C)C1 1042047037 GLURAXXNRZNNCF-RYUDHWBXSA-N 312.366 -0.697 30 20 DBED O=C(CC[C@@H]1CCOC1)NCC1(O)CN(C(=O)C#CC2CC2)C1 1042454187 JEEVZVILJMVRER-CQSZACIVSA-N 320.389 -0.094 30 20 DBED CCOC1CC(C(=O)NCC2(O)CN(C(=O)[C@@H](C)C#N)C2)C1 1042880912 BWHZQMCWIDNILO-UNXYVOJBSA-N 309.366 -0.349 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)c2ccnnc2C)C1 1044149959 WPPFWSCDWWKPOW-UHFFFAOYSA-N 320.349 -0.709 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)c2c(C)cnn2C)C1 1044953282 ILAKBOREUONLEE-UHFFFAOYSA-N 318.377 -0.165 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)[C@@H](C2CC2)N(C)C)C1 1045552152 QAGBSCOBMSQVNB-CMPLNLGQSA-N 308.382 -0.824 30 20 DBED Cc1noc(CCC(=O)N2CC(O)(CNC(=O)[C@H](C)C#N)C2)n1 1045559812 QCFCJDNRWSHYRB-SECBINFHSA-N 321.337 -0.840 30 20 DBED C=C(C)CN1CC[C@H](N2CCN(C(=O)Cn3cnnn3)CC2)C1 1046001109 GAYKCMVZJHYGTC-AWEZNQCLSA-N 319.413 -0.532 30 20 DBED CC#CCN1CC[C@](C)(NC(=O)[C@H]2CCN(C)S2(=O)=O)C1 1046691316 VRCCCDMZMVZSNJ-OCCSQVGLSA-N 313.423 -0.376 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cn(CCC)nn2)C1 1047580382 HWPZUDGWXLUIAQ-KBPBESRZSA-N 305.382 -0.172 30 20 DBED C=CCOCC(=O)N(C)[C@H]1CN(C(=O)[C@H]2CC2(F)F)C[C@@H]1O 1048555025 NFZNMLHSKBWJAC-VWYCJHECSA-N 318.320 -0.126 30 20 DBED CN(C(=O)C#CC(C)(C)C)[C@H]1CN(C(=O)c2cnn[nH]2)C[C@@H]1O 1048816967 LYYPEFPINUSITI-RYUDHWBXSA-N 319.365 -0.502 30 20 DBED C#CCO[C@H](C)C(=O)N(C)[C@H]1CN(C(=O)CC2CC2)C[C@@H]1O 1048844568 NJBIIXYMCVKZNH-XBFCOCLRSA-N 308.378 -0.145 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CCN2CC(N)=O 1049529530 OMXXQEMQOWFHQB-KFWWJZLASA-N 318.421 -0.365 30 20 DBED C#CCCCC(=O)N1CC[C@H]([C@H](C)NC(=O)Cn2ncnn2)C1 1050587377 JWFWJQHWUUXNAO-STQMWFEESA-N 318.381 -0.170 30 20 DBED COCc1noc(CNC[C@@H]2CN(C(=O)[C@@H](C)C#N)CCO2)n1 1051494250 GKVKTHNCNZXQOF-WDEREUQCSA-N 323.353 -0.307 30 20 DBED N#CCN1CC2(C1)CN(C(=O)c1n[nH]c3c1CCC3)CCO2 1053325384 RXCKKUZDEYWWNF-UHFFFAOYSA-N 301.350 -0.051 30 20 DBED C=CCN1CC2(C1)CN(C(=O)c1cc(C(N)=O)ccn1)CCO2 1053560208 ZZSVHDAVEMIFBB-UHFFFAOYSA-N 316.361 -0.107 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)[C@@H]3CCNC(=O)CC3)CO2)C1 1053881668 MYJVXBNWPFMMFS-KBPBESRZSA-N 319.405 -0.115 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)[C@@H]3CCC(=O)N(C)C3)CO2)C1 1054018221 ZISCBJVHRARBMX-KGLIPLIRSA-N 319.405 -0.162 30 20 DBED C[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1NCCN1CCNC1=O 1054657505 OEULGJJWNYYMAG-JSGCOSHPSA-N 304.394 -0.139 30 20 DBED C=CCOCC(=O)N1C[C@@H]2CN(C(=O)[C@@H](C)CC(N)=O)C[C@@H]2C1 1055250786 MSBRAAGKXROECD-RWMBFGLXSA-N 323.393 -0.383 30 20 DBED NC(=O)NCC(=O)N1CCC[C@H]2[C@H]1CCN2C(=O)C#CC1CC1 1056220704 NAPNOVSHZVVWGO-QWHCGFSZSA-N 318.377 -0.340 30 20 DBED N#Cc1ccc(N2CCC[C@H](NC(=O)Cc3nc[nH]n3)C2)nn1 1058194019 MQLVBBVMFSDQMD-NSHDSACASA-N 312.337 -0.206 30 20 DBED N#Cc1nccc(N2CCC[C@H](NC(=O)[C@H]3CNC(=O)N3)C2)n1 1058231313 DYLAAPQARIHPPX-VHSXEESVSA-N 315.337 -0.885 30 20 DBED N#Cc1cnc(N2CC[C@H](NC(=O)c3ccc(O)nn3)C2)cn1 1058276733 PAIMJAPDADUCLY-VIFPVBQESA-N 311.305 -0.147 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)[C@@]1(F)CCOC1 1058493075 LVVCBHZAVPJVCG-GXFFZTMASA-N 301.318 -0.788 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)CCn1cccc1 1058545673 CEWXKIMWMGEDAC-ZDUSSCGKSA-N 306.366 -0.025 30 20 DBED CCn1ccc(CC(=O)NCCN(CCO)C(=O)[C@@H](C)C#N)n1 1058660839 JIPAAFSWGLZPIR-LBPRGKRZSA-N 321.381 -0.458 30 20 DBED CN1C(=O)CC[C@H]1C(=O)N1CC[C@H](Nc2ccc(C#N)nn2)C1 1059028533 BBZYJALPFDXALF-RYUDHWBXSA-N 314.349 -0.018 30 20 DBED C[C@]1(C(=O)N[C@H]2C[C@H](N=c3cc[nH]c(C#N)n3)C2)CCNC1=O 1059409848 CABXLROKBLKMLJ-YHAQOWFVSA-N 314.349 -0.645 30 20 DBED C[C@]1(C(=O)N[C@H]2C[C@@H](Nc3nccnc3C#N)C2)CCNC1=O 1059822974 DVGLFNBDIZOJFU-WMFXKJRFSA-N 314.349 -0.066 30 20 DBED C#CCCCCC(=O)N1CCOC[C@H]1CNC(=O)CNC(N)=O 1061267416 PXOZZXZJUHILAS-GFCCVEGCSA-N 324.381 -0.808 30 20 DBED O=C(C#CC1CC1)NC[C@H]1COCCN1C(=O)Cc1cnoc1 1061573063 KLAAAVKYDWNJCU-AWEZNQCLSA-N 317.345 -0.026 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H]1COCCN1C(=O)C(F)F 1061584930 OYIGVQNRHWESHV-VHSXEESVSA-N 304.293 -0.367 30 20 DBED N#Cc1nccc(N2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CCNC2=O)n1 1062556084 TXQXTIKIXUZSHI-DCAQKATOSA-N 312.333 -0.726 30 20 DBED C#CCCCC(=O)N1CCO[C@@H](CNC(=O)c2cnn[nH]2)C1 1065090319 ISKZVXUVCIZUND-NSHDSACASA-N 305.338 -0.435 30 20 DBED Cn1nnc(C(=O)N[C@@]2(C)CCN(c3ccncc3C#N)C2)n1 1065316543 FYFIDAHBLVZXHB-AWEZNQCLSA-N 312.337 -0.124 30 20 DBED N#Cc1cncc(N2C[C@H]3C[C@@H](NC(=O)C(N)=O)C[C@H]2C3)n1 1065553864 OJJACUAZJBRNNG-IQJOONFLSA-N 300.322 -0.693 30 20 DBED C[C@@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1Nc1ncccc1C#N 1067042092 JKSWOCZLXXSZGH-PWSUYJOCSA-N 312.337 -0.101 30 20 DBED C[C@H]1CN(C(=O)Cn2ncnn2)C[C@H]1Nc1cnc(C#N)cn1 1067148025 CDXMUTAPEIOHFX-GXSJLCMTSA-N 313.325 -0.706 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)CCCN(C)C(=O)Cn1nccn1 1067431419 QTHBKPCCGHQGOQ-ZDUSSCGKSA-N 321.381 -0.377 30 20 DBED C#CCCCC(=O)N1CCOC2(C1)CN(C(=O)CC(=O)NC)C2 1068386757 CMJVEXQBDOSHSS-UHFFFAOYSA-N 321.377 -0.634 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2oncc2C)C1 1070068502 ZCTWCVTWAORNLE-NEPJUHHUSA-N 300.322 -0.137 30 20 DBED C=CCN[C@@H]1CN(C(=O)[C@@H]2CCN(C)C2)C[C@@H]1n1ccnn1 1070326873 GZIMRJSVSOVJLS-MCIONIFRSA-N 304.398 -0.243 30 20 DBED C#CCCCCC(=O)N1CCC[C@@H](NC(=O)Cn2ncnn2)C1 1070638524 OYHFRJHQJASFPY-CYBMUJFWSA-N 318.381 -0.026 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CCCN(C(=O)CN2CCOCC2=O)C1 1070891300 CBRLPFCIHRLFAY-VXGBXAGGSA-N 322.365 -0.888 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)[C@@H]2CCCOC2)CC1 1070945831 BDFOPGFMEKJKCH-CQSZACIVSA-N 307.394 -0.303 30 20 DBED C=CCN1CC[C@]2(C1)CN(C(=O)Cn1cnnc1O)C[C@H](C)O2 1071149441 MIGDHTDBWVAYDF-WFASDCNBSA-N 321.381 -0.139 30 20 DBED CC(=O)NCC(=O)N1C[C@@H](C)[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 1071495716 KJAXDHIAIGUSMP-RNCFNFMXSA-N 317.349 -0.401 30 20 DBED C=CCOCC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2CN(C(C)=O)C2)C1 1071809001 ONWRCFMZPNOLDB-RISCZKNCSA-N 323.393 -0.370 30 20 DBED CC#CCN1CCCO[C@H](CNC(=O)[C@H]2CC(=O)N(C)C2)C1 1073630067 MFGSHMQLVUQLGF-UONOGXRCSA-N 307.394 -0.305 30 20 DBED CC#CCN1CCO[C@H]2CCN(C(=O)c3nccnc3N)C[C@H]21 1074195288 SKPZBKFMYUDYTJ-OLZOCXBDSA-N 315.377 -0.003 30 20 DBED C#CCOCCC(=O)N[C@@H](C)CCNC(=O)COCCOC 1075957295 XXWSETJSOHVGDQ-ZDUSSCGKSA-N 314.382 -0.300 30 20 DBED C#CCCCC(=O)NCC[C@H](C)NC(=O)CS(C)(=O)=O 1076307167 CYRZUOSNQQBKTG-NSHDSACASA-N 302.396 -0.155 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)c2ccnc(NC(C)=O)c2)C1 1077865235 QZHQHILHMLLMOJ-ZIAGYGMSSA-N 316.361 -0.162 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)Cc2c(C)nn(CC)c2C)C1 1078019240 JZLIVIFNYFVUEB-HUUCEWRRSA-N 304.394 -0.143 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)Cn2nc(C)ccc2=O)C1 1078036634 FZYMMRGSFTWIFR-CHWSQXEVSA-N 306.366 -0.711 30 20 DBED C#CCN[C@@H]1C[C@@H](NC(=O)c2cnc(O)n(C)c2=O)C12CCC2 1078698544 REFTYZRYBBWKDG-VXGBXAGGSA-N 316.361 -0.250 30 20 DBED Cn1nc(C(=O)N[C@@H]2C[C@@H](NCC#N)C23CCC3)ccc1=O 1078800128 IZZOEDGVDJXFNK-VXGBXAGGSA-N 301.350 -0.066 30 20 DBED C#CCNC(=O)CC(=O)N(CC)C1CN(C(=O)c2ccc[nH]2)C1 1079644789 SVFAHTVXMSPWNT-UHFFFAOYSA-N 316.361 -0.173 30 20 DBED C=CCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)[C@H]2CCC(=O)N2)C1 1079979534 HPTYJEHHXXHETA-WCQYABFASA-N 323.393 -0.085 30 20 DBED COCCC(=O)NC[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1O 1081149639 LASLYWXIMQZPBY-ZWNOBZJWSA-N 320.349 -0.528 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](O)[C@@H](CNC(=O)CC(=O)NC)C1 1081433978 PLGSGXOILJYXTJ-WDEREUQCSA-N 311.382 -0.730 30 20 DBED C=CCCN1C[C@@H](NC(=O)C[C@H]2CC(=O)NC2=O)[C@H](OC)C1 1082401641 WGDPYXBWMYJIEG-QJPTWQEYSA-N 309.366 -0.569 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CCCc2nn[nH]c21 1083177713 JSMYICOUITVDCM-KGYLQXTDSA-N 316.365 -0.340 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCCCN2C(=O)CC)C1 1083484105 VFNMUWYUMKMBIX-RDBSUJKOSA-N 307.394 -0.428 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2CC(=O)N(C(C)C)C2)C1 1083500618 AVGIFFGJBSGARB-MCIONIFRSA-N 309.410 -0.019 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)C2CCN(C(=O)CCC)CC2)C1 1084080955 BOOGYDIRWJJECE-CABCVRRESA-N 321.421 -0.180 30 20 DBED CN(C[C@H]1CCN1[C@H]1CCNC1=O)C(=O)c1c[nH]c(C#N)c1 1085556683 XHVVBNAKMFEAPE-OLZOCXBDSA-N 301.350 -0.079 30 20 DBED C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 1086493301 BRDGRSBYLCTDNX-GUBZILKMSA-N 314.773 -0.179 30 20 DBED N#CCN1CC[C@@H]2CN(C(=O)CN3CCCNC3=O)C[C@@H]2C1 1088025976 MKEDZHKZJYDYSG-OLZOCXBDSA-N 305.382 -0.294 30 20 DBED C#CCN1CC[C@H](OCC2CCN(C(=O)CC(N)=O)CC2)C1 1088231346 OVEHEQHCUDTNER-AWEZNQCLSA-N 307.394 -0.176 30 20 DBED N#CCN1CC[C@@H](NC(=O)Cc2n[nH]c3c2CCCC3)[C@@H](O)C1 1090265110 JWXADKGKFRBOEV-HIFRSBDPSA-N 317.393 -0.094 30 20 DBED N#CCN1CC[C@H](NC(=O)c2cnc3[nH]c(O)nc3c2)[C@H](O)C1 1090377891 MGIKWXQFOWYJSA-GXSJLCMTSA-N 316.321 -0.648 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cc(=O)c(OC)c[nH]2)[C@@H](O)C1 1090432450 KNMRXUINICMZPE-GWCFXTLKSA-N 305.334 -0.818 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2cnc3cccnn23)[C@H](O)C1 1090631855 XBFPTRRWGSYTEW-TZMCWYRMSA-N 313.361 -0.082 30 20 DBED C=CCN1CC[C@@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)[C@@H](O)C1 1090704255 LAZKFDZJSTVNQC-MNOVXSKESA-N 324.381 -0.946 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)c2cn(C)c(=O)n2C)[C@H](O)C1 1090834665 YKQNOLUVEXQEFJ-DGCLKSJQSA-N 308.382 -0.535 30 20 DBED C[C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1Nc1ccc(C#N)nc1 1090955138 GGTPZHSMDTYWHG-BXKDBHETSA-N 302.338 -0.120 30 20 DBED C[C@@H](CC(N)=O)C(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@@H]1O 1091174429 IGGGQUBBIZASTK-NDMJEZRESA-N 317.349 -0.870 30 20 DBED CNC(=O)CC(=O)NCC1CC(Nc2cncc(C#N)n2)C1 1092216135 WLJPKYKQEDIGMI-UHFFFAOYSA-N 302.338 -0.209 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)[C@H]3CCC(=O)N3)c3nccn32)C1 1092357096 PPVVSTWOTAYVII-NEPJUHHUSA-N 313.361 -0.633 30 20 DBED N#Cc1cncc(N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)CC(N)=O)n1 1092809709 JOEKLJQHTXXJDT-VWYCJHECSA-N 300.322 -0.550 30 20 DBED COCCn1ccc(C(=O)NCCN=c2cc[nH]c(C#N)n2)n1 1094276204 BNAMXQMPEQMKBC-UHFFFAOYSA-N 315.337 -0.545 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)[C@@]34COC[C@@H]3C4)CC2=O)C1 1094740764 SMKFULIKRHINHP-OZVIIMIRSA-N 305.378 -0.390 30 20 DBED Cc1n[nH]cc1C(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1 1094768752 WQMZRAMSUJZALV-JTQLQIEISA-N 302.338 -0.743 30 20 DBED C[C@@H]1CCCN1CC(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1 1094783313 OJSBPLGKCIKYSW-CHWSQXEVSA-N 319.409 -0.604 30 20 DBED C=CCCN1CC(N2C[C@@H](NC(=O)Cn3cncn3)CC2=O)C1 1094813944 WRGPCMOTPOBYGR-LBPRGKRZSA-N 318.381 -0.745 30 20 DBED CNC(=O)NCCC(=O)N1CC[C@@H](N=c2cc[nH]c(C#N)n2)C1 1095032945 VYHLMSFEQJRWNG-SNVBAGLBSA-N 317.353 -0.898 30 20 DBED CCC(=O)NCC(=O)N[C@H]1CCCN(c2nccnc2C#N)C1 1096148191 DRLDCGDLIQPLCW-NSHDSACASA-N 316.365 -0.041 30 20 DBED COC[C@@]1(C(=O)NC[C@H](C)N=c2cc[nH]c(C#N)n2)CCOC1 1098166634 UEHUXJLAWQQGTC-NHYWBVRUSA-N 319.365 -0.260 30 20 DBED C[C@]1(C(=O)N2CCC(N(CC#N)CCO)CC2)CCNC1=O 1098478069 UIEZHPBCMJXQFT-HNNXBMFYSA-N 308.382 -0.679 30 20 DBED CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)Cn2cnnc2O)C1 1098801527 WCEHTIYRLKMCKV-WFASDCNBSA-N 303.366 -0.022 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)C(C)(C)F)[C@@H](O)C1 1099609649 DAYWOAKARAJVLW-MNOVXSKESA-N 301.362 -0.412 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(Cc2nnc(C)o2)C[C@@H]1O 1099740254 ADFFYMIWGMWHNC-NEPJUHHUSA-N 310.354 -0.368 30 20 DBED C#CCCCC(=O)N[C@@H]1CCN(CC(=O)N(C)C2CC2)C[C@H]1O 1099807608 SDRUFRMQXWXEBS-HUUCEWRRSA-N 321.421 -0.038 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)CCn2ccnc2)[C@H](O)C1 1099939795 MEYZCWWRPDFNCX-HUUCEWRRSA-N 320.393 -0.526 30 20 DBED C[C@@H](C#N)C(=O)NCC1CC(NCC(=O)N2CCOCC2)C1 1100191355 HYADNAFQRHASME-HIFPTAJRSA-N 308.382 -0.511 30 20 DBED C#CCNC(=O)CC(=O)NCC1CC(NCc2cnon2)C1 1100262980 PXNBQXUFZKPGMU-UHFFFAOYSA-N 305.338 -0.807 30 20 DBED C#CCNC(=O)CC(=O)NCCN(CC)c1ccnc(C#N)n1 1100496900 JTLRYDZEIJITOO-UHFFFAOYSA-N 314.349 -0.570 30 20 DBED CCN(CCNC(=O)c1cn(C)nn1)c1cnc(C#N)cn1 1100505266 RZWQVULVXHWTJZ-UHFFFAOYSA-N 300.326 -0.267 30 20 DBED CCN(CCNC(=O)c1nnn(C)n1)c1ccc(C#N)nc1 1100679327 RQKAVHSOHMHYSI-UHFFFAOYSA-N 300.326 -0.267 30 20 DBED C#CCCNC1CC(CNC(=O)Cn2nc(C)n(C)c2=O)C1 1100934260 KIGIDMIMRFZJDR-UHFFFAOYSA-N 305.382 -0.602 30 20 DBED CN(CCN=c1cc[nH]cc1C#N)C(=O)[C@@H]1CCS(=O)(=O)C1 1101848654 DTFWLFXCJBYFBO-LLVKDONJSA-N 322.390 -0.320 30 20 DBED Cc1nc[nH]c1C(=O)NC[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1102619896 GHUPJTZKLSKWDH-ZYHUDNBSSA-N 318.381 -0.344 30 20 DBED CC(=O)NCC(=O)N(C)[C@@H]1CCN(c2cnc(C#N)cn2)C1 1102670426 ZXGRZBZUFYLLDK-GFCCVEGCSA-N 302.338 -0.479 30 20 DBED C#CCCN1C[C@@H](C)[C@H](CCNC(=O)C[C@@H]2NC(=O)NC2=O)C1 1103098686 FEXLFDZDKZRVOV-UPJWGTAASA-N 320.393 -0.318 30 20 DBED C[C@@H](CN=c1cc[nH]cc1C#N)CNC(=O)[C@H]1CNC(=O)N1 1104183189 BYWQEESFLGCXQN-JOYOIKCWSA-N 302.338 -0.779 30 20 DBED C#CCNCC[C@@H]1CN(C(=O)[C@@H]2COCCN2C(C)=O)C[C@H]1C 1105034087 LUDUWZRVCOJJKT-BMFZPTHFSA-N 321.421 -0.059 30 20 DBED CC(C)[C@@H](CNC(=O)[C@@H]1COC(=O)N1)N=c1cc[nH]c(C#N)n1 1105166025 JBVJNQPHVLDDIA-ZJUUUORDSA-N 318.337 -0.569 30 20 DBED CN(CCN(C)c1nccnc1C#N)C(=O)Cn1cnnc1O 1105387999 UBPAHNWNAACLPS-UHFFFAOYSA-N 316.325 -0.760 30 20 DBED CO[C@@H](C)CC(=O)NC[C@H](O)CN=c1cc(C)[nH]cc1C#N 1105783167 WDAQLTFDODYVES-WCQYABFASA-N 306.366 -0.002 30 20 DBED Cc1ncoc1C(=O)NC[C@@H](O)CNc1cncc(C#N)n1 1105808021 IOTPJVYBLIQRDA-JTQLQIEISA-N 302.294 -0.153 30 20 DBED N#Cc1cncc(NC[C@@H](O)CNC(=O)[C@@H]2CCCCO2)n1 1105819682 IRUUYIYYRQHUBL-NEPJUHHUSA-N 305.338 -0.194 30 20 DBED Cc1cc(=NC[C@H](O)CNC(=O)[C@@H]2CCN(C)C2)c(C#N)c[nH]1 1105853146 HXSCXCZHTJRRLE-OCCSQVGLSA-N 317.393 -0.476 30 20 DBED Cc1n[nH]c(C)c1C(=O)NC[C@@H](O)CNc1ccc(C#N)nn1 1105932515 MNKMUTJMHCFYBI-NSHDSACASA-N 315.337 -0.109 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H](O)CNc1nc(C)cc(OC)n1 1105970600 KHSIEVSPDBAFOZ-NEPJUHHUSA-N 322.365 -0.279 30 20 DBED Cn1cncc1C(=O)NC[C@@H](O)CNc1ccc(C#N)cn1 1106010750 FIXQFHWQXHQSPM-NSHDSACASA-N 300.322 -0.110 30 20 DBED Cn1c(C(=O)NC[C@@H](O)CNc2ccc(C#N)cn2)cnc1O 1106052209 VKIDZFJCNCMVFP-JTQLQIEISA-N 316.321 -0.405 30 20 DBED Cc1ccc(C#N)c(NC[C@H](O)CNC(=O)[C@H]2C[C@H]2C(N)=O)n1 1106118827 BGVSXRVMPMOFCE-TUAOUCFPSA-N 317.349 -0.728 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](O)CNc1ccc(C#N)nn1 1106124876 FMAAJJFTZPERKB-UPJWGTAASA-N 317.349 -0.172 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)[C@@H]1CCC(=O)NC1 1106989424 BUQFBHWFGNKQIN-LLVKDONJSA-N 316.365 -0.443 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)C[C@H]2CC(=O)NC2=O)C[C@H]1C 1107102889 ZJBKQEPQBSUDLK-JHJVBQTASA-N 305.378 -0.253 30 20 DBED N#CCN1CC(n2cc(CNC(=O)CN3CCCC3)nn2)C1 1107236299 UHCWTLRUXGNNNG-UHFFFAOYSA-N 303.370 -0.630 30 20 DBED COCC#CCN1CCO[C@](C)(CNC(=O)[C@@H]2CCOC2)C1 1107794282 ZCUXOWZTUDKXFI-GDBMZVCRSA-N 310.394 -0.120 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)CNC(=O)C1CCC1 1107800392 MVHYBFDZJWXUFT-SNVBAGLBSA-N 316.365 -0.397 30 20 DBED C#CCCN1CCO[C@@](C)(CNC(=O)CC(=O)NCC#C)C1 1107884836 MFMFCBFMILRSAC-INIZCTEOSA-N 305.378 -0.644 30 20 DBED C#CCCN1CCO[C@](C)(CNC(=O)c2nnc(O)nc2O)C1 1108050853 AQBJKCMWQDOOEE-CQSZACIVSA-N 321.337 -0.873 30 20 DBED C#CCNC(=O)CN1CCO[C@](C)(CNC(=O)c2cnco2)C1 1108105186 WTDCKANFHIFWAI-OAHLLOKOSA-N 320.349 -0.755 30 20 DBED C[C@H](CNc1ccc(C#N)nn1)NC(=O)[C@H]1C[C@H]1C(=O)N(C)C 1108111771 QLIBIMOVMMZUEG-ADEWGFFLSA-N 316.365 -0.011 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)Cn2nnnc2C(C)C)C1 1108268243 WJYGJIZMGBXIKQ-HNNXBMFYSA-N 320.397 -0.363 30 20 DBED CC#CCN1CC(N2C[C@H](NC(=O)CC3(O)CCC3)CC2=O)C1 1108543340 WDZQJNGROAOQCK-CYBMUJFWSA-N 319.405 -0.284 30 20 DBED N#CCNC(=O)CN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cnn[nH]1)C2 1108719485 SMLDAZDWBVAXCL-DCAQKATOSA-N 317.353 -0.973 30 20 DBED C[C@@H](CNc1ccc(C#N)nn1)NC(=O)c1cc(=O)n(C)cn1 1108760945 LUWGJIJVAAZARY-VIFPVBQESA-N 313.321 -0.328 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)CN1CCCNC1=O 1108788143 BGVDYYCFNXYFNT-JTQLQIEISA-N 317.353 -0.898 30 20 DBED Cn1cnnc1COCC(=O)N1C[C@H]2C[C@H](NCC#N)C[C@H]1C2 1108789477 KYJPCDAGQWCSER-RWMBFGLXSA-N 318.381 -0.176 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)CN(C)c1nccnc1C#N 1108945053 NFGWRJGSYJBNMC-LLVKDONJSA-N 314.349 -0.571 30 20 DBED Cc1nn[nH]c1C(=O)N[C@H](CN=c1cc[nH]c(C#N)n1)C1CC1 1109946768 ZJKNKHKFRNEBLL-SNVBAGLBSA-N 312.337 -0.183 30 20 DBED N#Cc1cnc(NC2(CNC(=O)[C@H]3CCC(=O)NC3)CC2)cn1 1110402439 LWHRUEYYEGEZSF-JTQLQIEISA-N 314.349 -0.065 30 20 DBED Cc1nc(NCCN(CCO)C(=O)c2nc[nH]n2)ccc1C#N 1111496466 HHQQBVPTPCGDCN-UHFFFAOYSA-N 315.337 -0.074 30 20 DBED Cn1nccc1CCC(=O)N1CCN(CC(=O)NCC#N)CC1 1112899101 NHYOOAZLTYBROM-UHFFFAOYSA-N 318.381 -0.863 30 20 DBED C[C@H](NC(=O)Cn1nccn1)[C@H](C)Nc1ccc(C#N)nn1 1113173693 RKGRQIIBRJJQJW-UWVGGRQHSA-N 300.326 -0.055 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)C[C@@H]2CCC(=O)N2)CC1 1113421953 IDNFVCSEBXWPEN-LBPRGKRZSA-N 308.382 -0.899 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)c3cccn3C)[C@H]2C1 1113860948 RTZXYPKVLJVNSI-RYUDHWBXSA-N 302.378 -0.013 30 20 DBED COC[C@@H](O)CN1C[C@H]2C(NC(=O)c3cc(C#N)c[nH]3)[C@@H]2C1 1114103719 ONECHMDVNITDBP-QJPTWQEYSA-N 304.350 -0.446 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)c3csnc3C)[C@@H]2C1 1114147113 QEZPCNGJTOHSNK-GHMZBOCLSA-N 318.402 -0.139 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@H]2CN(CCn3cccn3)C[C@H]12 1114160007 PDOXHSCGHCZHBE-STQMWFEESA-N 315.377 -0.931 30 20 DBED CCN1CCOC[C@@H]1C(=O)NC1[C@@H]2CN(CC#CCOC)C[C@@H]12 1114495847 AHDHRYUCYGOJES-RBSFLKMASA-N 321.421 -0.597 30 20 DBED CC[C@@H]1OCC[C@H]1C(=O)NC1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]12 1114597309 NVVBMLZFGLCTGX-LPWJVIDDSA-N 320.393 -0.512 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)c3ccn(CC)n3)[C@H]2C1 1114921527 OTDUPEMRXXFUFI-RYUDHWBXSA-N 317.393 -0.135 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)c3ccc(O)nc3)[C@H]2C1 1115192527 OMNNYAYDLSVBMT-RYUDHWBXSA-N 316.361 -0.251 30 20 DBED Cc1cc(C#N)nc(N[C@H](C)CN(C)C(=O)CCNC(N)=O)n1 1115727357 KDLMLQMUNNAGGY-SNVBAGLBSA-N 319.369 -0.026 30 20 DBED C=CCNC(=O)CNC(=O)NCC1CCS(=O)(=O)CC1 1116494540 FGFGFCFZZYWEOH-UHFFFAOYSA-N 303.384 -0.587 30 20 DBED C[C@@H]1[C@@H](C)[S@@](=O)CCN1C(=O)C(=O)Nc1cnn(CC#N)c1 1116895327 BKELKOOKWCNFHD-FQOARCPFSA-N 323.378 -0.287 30 20 DBED N#CCN1CCC(NC(=O)NC[C@H](CO)[C@@H]2CCOC2)CC1 1116898223 IXGCNXNHWMYYQX-CHWSQXEVSA-N 310.398 -0.081 30 20 DBED N#Cc1ccc(NC(=O)C(=O)NCC(=O)NCC(F)F)nc1 1117749778 BKLISEVABPDSMK-UHFFFAOYSA-N 311.248 -0.611 30 20 DBED N#C[C@@]1(F)CCN(C(=O)C(=O)N2CC[C@@H](N3CC=CC3)C2)C1 1117906482 BDYPKPMEBGWGAI-DOMZBBRYSA-N 306.341 -0.077 30 20 DBED C=CCn1cc(CNC(=O)C(=O)NCCCC(=O)N(C)C)nn1 1118110892 MUOLLHNWMDEXLH-UHFFFAOYSA-N 322.369 -0.935 30 20 DBED CC#CCCNC(=O)C(=O)NC[C@@H]1CC2(CCNCC2)CO1 1119370544 LVPHQINHBKJPPD-ZDUSSCGKSA-N 307.394 -0.209 30 20 DBED CO[C@@H](C(=O)NC[C@H](CO)Nc1nccnc1C#N)C1CC1 1121504310 CYLFWFAMUXTSLT-ZYHUDNBSSA-N 305.338 -0.338 30 20 DBED N#Cc1cnc(N[C@H](CO)CNC(=O)c2nc[nH]n2)c(Cl)c1 1121892436 ADJFMAYLCFASGQ-QMMMGPOBSA-N 321.728 -0.072 30 20 DBED C[C@H](CC(N)=O)C(=O)NC[C@@H](CO)Nc1ncc(C#N)cc1F 1122353917 FJBVSXFZIRSWRL-SCZZXKLOSA-N 323.328 -0.507 30 20 DBED N#Cc1cccnc1N[C@H](CO)CNC(=O)C1(C(N)=O)CC1 1122453231 ZAWSGBGQJCPCPE-JTQLQIEISA-N 303.322 -0.892 30 20 DBED C[C@@H](CC(N)=O)C(=O)N(C)C[C@@H](O)CNc1ccc(C#N)nn1 1124688027 AYZSSDRWXVRASS-ONGXEEELSA-N 320.353 -0.909 30 20 DBED CN(C)CCC(=O)N(C)C[C@@H](O)CNc1nccnc1C#N 1124710001 XBOHQNUWPQQMOY-NSHDSACASA-N 306.370 -0.469 30 20 DBED COCCC(=O)N(C)C[C@H](O)CN(C)c1cnc(C#N)cn1 1124901173 ANLDCTBUGYARJI-GFCCVEGCSA-N 307.354 -0.360 30 20 DBED N#Cc1cc(C(=O)NCCNCCN2C(=O)CCC2=O)c[nH]1 1125977910 IFXITCODFUJPJX-UHFFFAOYSA-N 303.322 -0.645 30 20 DBED Cn1cc(N2CC[C@H](NCCNC(=O)C#CC3CC3)C2=O)cn1 1126880795 AGWSTYMJLPFMKN-AWEZNQCLSA-N 315.377 -0.355 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)[C@H](C)NC(=O)CC 1127973078 GKIDYCPATVRYOX-ZDUSSCGKSA-N 324.425 -0.193 30 20 DBED CC(C)OCCC(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1 1128769411 FIUGYOAIQYDBKD-OLZOCXBDSA-N 306.370 -0.042 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C[C@@H](C)OC)C[C@@H]1n1ccnn1 1128811855 GRFHYEGUFNRKIC-MCIONIFRSA-N 323.397 -0.143 30 20 DBED CC#CCN[C@@H]1CN(C(=O)[C@@H]2COCCO2)C[C@@H]1n1ccnn1 1129594832 RZFMIRNQACFEDA-RDBSUJKOSA-N 319.365 -0.942 30 20 DBED C=C(C)CN(CC)C(=O)CNCCNC(=O)c1cncnc1O 1130079109 PYPGQMYOOSWLDY-UHFFFAOYSA-N 321.381 -0.074 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1cnn2c1OCCC2 1130837839 IMTJNSCOCUJDQK-NSHDSACASA-N 319.365 -0.877 30 20 DBED COCC#CCN1C[C@@H](NC(=O)CNC(=O)OC)CC[C@@H]1C 1131843861 OLNNNHXLQCNRKE-STQMWFEESA-N 311.382 -0.039 30 20 DBED COCC#CCN1C[C@@H](NC(=O)c2nnn(C)n2)CC[C@@H]1C 1132224804 QPTUSEZSBBPEOU-RYUDHWBXSA-N 306.370 -0.557 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1occc1CN(C)C 1132983870 NXBHBYWCCFBYRB-UHFFFAOYSA-N 308.382 -0.037 30 20 DBED C[C@@H](C[C@@H](C)NCC(=O)NCC#N)NC(=O)CCc1ncc[nH]1 1134235208 NFQWXVGIEHHKDH-NEPJUHHUSA-N 320.397 -0.145 30 20 DBED CC#CCN[C@H](C)C[C@H](C)NC(=O)CNC(=O)Cn1cncn1 1146561852 KSKBUGLTLLBIDI-OLZOCXBDSA-N 320.397 -0.710 30 20 DBED COCC#CCNCCNC(=O)C[C@@H]1CCCS(=O)(=O)C1 1146924865 LAFKQOZJXHFSDJ-ZDUSSCGKSA-N 316.423 -0.443 30 20 DBED COCC#CCN1CCC2(C1)CN(C(=O)C[C@@H]1CCNC1=O)C2 1147703785 MKKMTBLTAKZKGQ-AWEZNQCLSA-N 319.405 -0.303 30 20 DBED C#CCOc1ncccc1C(=O)NCCNCC(=O)NCC#N 1148302120 CIIDAUOFLSMBHC-UHFFFAOYSA-N 315.333 -0.947 30 20 DBED Cn1ncc(CN2CCCO[C@@H](CNC(=O)C#CC3CC3)C2)n1 1149693954 FFTXXEUOUQFBKI-HNNXBMFYSA-N 317.393 -0.064 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)C[C@H]2CCN(C)C2=O)C1 1149887632 GIMSPOMFIKONRN-ZIAGYGMSSA-N 307.394 -0.305 30 20 DBED C=CCNC(=O)NC(=O)CNCCCNC(=O)CCOC 1154021893 XXJTYLZJGXXAAJ-UHFFFAOYSA-N 300.359 -0.869 30 20 DBED N#CCNC(=O)CNCCCNC(=O)c1cn2c(n1)CCCC2 1159214517 CJEYFOUSKPGDDR-UHFFFAOYSA-N 318.381 -0.431 30 20 DBED COCC#CCNCCCNC(=O)[C@H]1CCCN(C(N)=O)C1 1162070323 VGPBZBTUPMCKDT-ZDUSSCGKSA-N 310.398 -0.477 30 20 DBED CN(C)C1(CC(=O)NCCCNCC(=O)NCC#N)CCCC1 1163297389 KUJJYIURPHFXAZ-UHFFFAOYSA-N 323.441 -0.013 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@@]1(C)CCN(C(C)=O)C1 1170442846 YYHIKPGRLASNPX-INIZCTEOSA-N 324.425 -0.357 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)c1cnn2cc[nH]c12 1174612634 HODRHIVCBBEFCZ-LLVKDONJSA-N 316.365 -0.490 30 20 DBED C[C@H](CCCCNCC(=O)NCC#N)NC(=O)c1cnn(C)n1 1175693817 BDTOLMFRXNCCHT-LLVKDONJSA-N 321.385 -0.667 30 20 DBED C/C=C(\C)C(=O)N1CC[C@@H]2OCCN(CC(=O)NCC#N)[C@@H]2C1 1176969522 MQTBYQIHKTWUJS-YAIPEXKZSA-N 320.393 -0.106 30 20 DBED C#CCCCCC(=O)N1CC[C@@H]2OCCN(CC(N)=O)[C@H]2C1 1176990085 YXKHMTDYWUAVBH-KBPBESRZSA-N 307.394 -0.033 30 20 DBED CC#CCN1CCO[C@@H]2CCN(C(=O)C(=O)NCC3CC3)C[C@H]21 1177123752 CXTATFCJOJVFTF-HUUCEWRRSA-N 319.405 -0.162 30 20 DBED C=CCCOCC(=O)N1CC[C@H]2OCCN(CC(N)=O)[C@@H]2C1 1177161535 DEAFBEHBMQYCDS-CHWSQXEVSA-N 311.382 -0.634 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CCNC2=O)[C@H]1C 1179317851 CXDYXDRRSAEMOO-SRVKXCTJSA-N 308.382 -0.996 30 20 DBED C#CCCNCCCCCCNC(=O)CN1CC(=O)NC1=O 1179838631 HXXRFMJVZRJKNN-UHFFFAOYSA-N 308.382 -0.172 30 20 DBED CS(=O)(=O)CCCN[C@@H]1CCN(C(=O)CSCC#N)C1 1181107493 YFUDNWKLSFBGHU-LLVKDONJSA-N 319.452 -0.132 30 20 DBED C=CCOCC(=O)N1CC[C@@H](NC[C@@H]2CCS(=O)(=O)C2)C1 1181618135 MEISNVPAYAWNMB-QWHCGFSZSA-N 316.423 -0.186 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2cnc(C)[nH]2)C1 1181638630 OJUDVXIBIBFTHE-ZYHUDNBSSA-N 303.366 -0.340 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](N[C@H](C)C(=O)NCC=C)C1 1182145918 ZXECFLZBMDSBDG-CHWSQXEVSA-N 320.393 -0.993 30 20 DBED C[C@@H]1CN(C(=O)CN2CCC(=O)NC2=O)C[C@@]1(C)CNCC#N 1183096402 CXVZECZNAUOBQS-IAQYHMDHSA-N 321.381 -0.474 30 20 DBED C#CCNC[C@]1(C)CN(C(=O)[C@@H]2COCCN2C(C)=O)C[C@H]1C 1183465624 SKVXMIUKHQWLNH-UKPHBRMFSA-N 321.421 -0.059 30 20 DBED C=CCNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)CCCF)C1 1184972567 ZADFBWRWEPJSPV-LLVKDONJSA-N 314.361 -0.062 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](NCC(=O)NCC#N)C1 1186243608 LTIAPHXXFOHLRQ-IPYPFGDCSA-N 320.393 -0.202 30 20 DBED N#CCNC[C@@H]1CN(C(=O)[C@@H]2CCNC2=O)CC12CCOCC2 1186445301 NOVKTDHXHBVCMJ-CHWSQXEVSA-N 320.393 -0.509 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)Cc2c(C)noc2C)C1 1187756508 PMDACRDCHFYOJV-CYBMUJFWSA-N 318.377 -0.226 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@@H]1CCN(C(=O)c2cnn[nH]2)C1 1191120507 VLCIYCGBPLHOOQ-GHMZBOCLSA-N 304.354 -0.911 30 20 DBED N#Cc1ccc(F)cc1CN1C[C@@H](O)[C@H](NC(=O)CC(N)=O)C1 1191967314 IXEKXPGODSCKIX-CHWSQXEVSA-N 320.324 -0.766 30 20 DBED CCn1ccnc1C(=O)N[C@@H]1CN(CC#CCOC)C[C@H]1O 1192494817 JRJQTGYWLRIKIJ-CHWSQXEVSA-N 306.366 -0.672 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(Cc2cnoc2C)C[C@H]1O 1192531304 UVDPEGDCJNFBJM-NFAWXSAZSA-N 309.366 -0.029 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)NC(=O)c2ccoc2)C1 1193174949 WXVSIIUHZBBAJJ-MRVWCRGKSA-N 319.361 -0.418 30 20 DBED C#CCC1(C(=O)N[C@@H]2CN([C@H]3CCCNC3=O)C[C@H]2O)CCC1 1193685845 QCJRANFRMUSFNK-HZSPNIEDSA-N 319.405 -0.380 30 20 DBED Cc1csc(=O)n1CCC(=O)N[C@@H]1CN(CC#N)C[C@H]1O 1193805297 KVHIIAXSPKHJGT-GHMZBOCLSA-N 310.379 -0.707 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCCN([C@H]2CCC(=O)NC2=O)CC1 1195681855 KVMNGJSTPAOMMF-BLLLJJGKSA-N 323.393 -0.347 30 20 DBED C=CCCCN1C[C@@H](O)[C@H](NC(=O)c2cc(C(N)=O)ccn2)C1 1199582646 JIFODMRLLFFFIK-ZIAGYGMSSA-N 318.377 -0.078 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)c2cnc(C)[nH]2)CC1 1199758264 FBEUSHKVXQVNCX-UHFFFAOYSA-N 303.366 -0.338 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCCO[C@H](CNCC#N)C1 1200722388 WKHUXCUGYBVFIC-CABCVRRESA-N 304.394 -0.185 30 20 DBED COCC#CCNC[C@H]1CN(C(=O)c2cccnn2)CCCO1 1201701274 GEEAJKPYFCQZIN-AWEZNQCLSA-N 318.377 -0.053 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)[C@H]2CCOC[C@@H]2C)CC1 1202379395 GXYJFNYEYKILMO-ZFWWWQNUSA-N 321.421 -0.011 30 20 DBED CC#CCN[C@H]1C[C@H]2CC[C@H]1N(C(=O)CN1C(=O)CNC1=O)C2 1204948251 MJFUMIFTDAXZKA-FRRDWIJNSA-N 318.377 -0.469 30 20 DBED C=CCNCC1CCN(C(=O)CNS(=O)(=O)N(C)C)CC1 1206439312 JDYGAHXHSBDDGI-UHFFFAOYSA-N 318.443 -0.603 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCCN(C(=O)Cc2ccon2)C1 1207725222 KUUKTDIJHNMIQG-GXTWGEPZSA-N 318.377 -0.064 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCN(C(=O)C[C@H]2CCOC2)C1 1207727428 GPXXOUBPTUWCDP-CHWSQXEVSA-N 308.382 -0.367 30 20 DBED COCC#CCN[C@H]1CCCN(C(=O)[C@H]2COCCN2C)C1 1207829369 OQFJJKZLKVJNOV-LSDHHAIUSA-N 309.410 -0.453 30 20 DBED COCC#CCN1C[C@@H](NC(=O)c2cnccn2)[C@H](OC)C1 1211776481 KFLFNSYGJOKXCI-ZIAGYGMSSA-N 304.350 -0.445 30 20 DBED CC#CCN[C@@H]1CN(C(=O)c2cn(C)c(=O)n(C)c2=O)C[C@H]1C 1215750980 UHLMRPYYACEMQY-DGCLKSJQSA-N 318.377 -0.843 30 20 DBED C#CCCCC(=O)N1CCO[C@@H]2CN(Cc3nc(O)n[nH]3)C[C@@H]21 1217758194 JCEKDLJRKMSDPH-NWDGAFQWSA-N 319.365 -0.275 30 20 DBED CC1CCN(C(=O)CN2C[C@H](O)[C@H](NC(=O)[C@H](C)C#N)C2)CC1 1219365727 FXQCMCCBDGTJKF-MCIONIFRSA-N 322.409 -0.434 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2nnc(CC)o2)C[C@@H]1O 1219605468 SRWKETHSMNMJLA-TUAOUCFPSA-N 322.365 -0.668 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)c2cocc2C)C1 1220142833 KAZUACXXNDVMOZ-YUTCNCBUSA-N 319.361 -0.499 30 20 DBED CO[C@@H](C)CCC(=O)N1C[C@H]2CCN(CC(=O)NCC#N)C[C@H]21 1221499142 PTMFCWZYXGXZSZ-BFHYXJOUSA-N 322.409 -0.026 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)C[C@@H](C)OC)CC1 1222600017 LFAJXHCAMNFJAS-CYBMUJFWSA-N 309.410 -0.011 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)CC2(O)CCC2)CC1 1227258877 WVCWTLABOXCMNU-UHFFFAOYSA-N 307.394 -0.379 30 20 DBED CC#CCN[C@@H]1CCCC[C@H]1NC(=O)c1nnc(O)nc1O 1227295576 ZAALMORURUPLHL-NXEZZACHSA-N 305.338 -0.063 30 20 DBED C#CCN1CCC(NC(=O)CCNC(=O)[C@@H]2CCCO2)CC1 1230442277 GQUJGNHKHVTKRS-AWEZNQCLSA-N 307.394 -0.115 30 20 DBED CC#CCN1CCS(=O)(=O)[C@H](CCNC(=O)c2ncc[nH]2)C1 1230459071 AZJCOSDUIVGAPI-GFCCVEGCSA-N 324.406 -0.348 30 20 DBED C=CCNC(=O)CN1CC[C@H]1CN(C)C(=O)C1=COCCO1 1230655190 XYJIEWMSUAUCTJ-LBPRGKRZSA-N 309.366 -0.291 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@H]1CN(C)C(=O)CSCC#N 1230818650 ANXBWQIBGHLPOB-OLZOCXBDSA-N 322.434 -0.086 30 20 DBED CN(C[C@@H]1CCN1CC(=O)NCC#N)C(=O)c1ccns1 1234614360 QNNWFADLCINOKI-JTQLQIEISA-N 307.379 -0.071 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)OCC[C@H]2CCOC2)C1=O 1261293242 GALLAWPTDCDADB-SNVBAGLBSA-N 310.306 -0.067 30 20 DBED C[C@H](O)CN(C(=O)C(=O)Nc1cccc(C#N)n1)[C@@H](C)CO 1261460785 OTUZEYGKCFDVDQ-UWVGGRQHSA-N 306.322 -0.518 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)NCCCC(=O)N(C)C 1261689231 IHWVNLOCLCXPFW-UHFFFAOYSA-N 311.382 -0.531 30 20 DBED C[C@@H](CCNC(=O)[C@H]1COCCN1CC(F)F)NCC#N 1317399980 IUYZKZOTADZDHJ-WDEREUQCSA-N 304.341 -0.040 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cc(C)nn1C 1320016755 HRSHYZFUQUAARE-UHFFFAOYSA-N 314.367 -0.616 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 1323587502 KPHDUYRLKQOXJI-VIFPVBQESA-N 311.298 -0.775 30 20 DBED CC(C)CN1CCN(C(=O)C(=O)N2CCO[C@H](C#N)C2)CC1=O 1325214325 KGBBVCCPLBOTEL-GFCCVEGCSA-N 322.365 -0.936 30 20 DBED C[C@H](CNC(=O)C(=O)N1CC[C@@](O)(CC#N)C1)N1CCCCC1 1326079680 SNMSBPUMMQSSQF-CJNGLKHVSA-N 322.409 -0.146 30 20 DBED CC(=O)Nc1ccc(OC[C@H](O)CNCC(=O)NCC#N)cc1 1326159226 HHGUFXDYJMYAJL-CYBMUJFWSA-N 320.349 -0.386 30 20 DBED CN(C)C(=O)NCCNC(=O)C(=O)Nc1cccc(C#N)n1 1326361562 OVUWMLZJNPEXCL-UHFFFAOYSA-N 304.310 -0.721 30 20 DBED Cc1cc(NC(=O)C(=O)NC[C@]2(C)CCC(=O)N2)ncc1C#N 1327083409 CNEXRDVLDQXECB-HNNXBMFYSA-N 315.333 -0.015 30 20 DBED COC(C)(C)CN(C)C(=O)C(=O)N1CCN(CCC#N)CC1 1332061271 OTPVLNHYKZDHPU-UHFFFAOYSA-N 310.398 -0.072 30 20 DBED CN(C)C1(CNC(=O)C(=O)N2CC[C@](O)(CC#N)C2)CCC1 1332224659 ROFKLOXIPZJSFD-OAHLLOKOSA-N 308.382 -0.536 30 20 DBED C#CCNC(=O)C1CCN(c2nnnn2CCC(C)(C)O)CC1 1343934206 IFDDYXQGYZHRHQ-UHFFFAOYSA-N 320.397 -0.200 30 20 DBED CCN1CCC[C@H](Nc2c(C#N)c(=O)n(C)c(=O)n2C)C1=O 1363751381 QSXYSRKIUTYLMR-JTQLQIEISA-N 305.338 -0.622 30 20 DBED N#Cc1nc(N)n(CC(=O)N2CCC3(CC2)OCCO3)c1C#N 1363763078 OURCXQVRJBVRFP-UHFFFAOYSA-N 316.321 -0.426 30 20 DBED CCC[C@@H](C(=O)N1CCN(CCC#N)CC1)S(N)(=O)=O 1364497061 NHYIQRZEQCSAMQ-NSHDSACASA-N 302.400 -0.499 30 20 DBED CCCc1noc(CN2CC(O)(CNC(=O)[C@@H](C)C#N)C2)n1 1368288630 LOXHZQRHUBDUPR-JTQLQIEISA-N 307.354 -0.155 30 20 DBED C=C(Cl)CNC[C@H](O)CNC(=O)c1ccc(C(N)=O)o1 1374623898 FMSHUDWYQPJKDV-QMMMGPOBSA-N 301.730 -0.189 30 20 DBED CCC(=O)NCC(=O)N(C)C[C@@H](C)NC(=O)c1ccc(C#N)[nH]1 1381918157 MEINWULJQRAZKF-SNVBAGLBSA-N 319.365 -0.011 30 20 DBED CC(=O)NC1(C(=O)NC[C@H](O)CNC(=O)[C@H](C)C#N)CCCC1 1389091968 DFXHNQWGLPWIAR-ZYHUDNBSSA-N 324.381 -0.812 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CCN(C(=O)c2ccc(=O)n(C)n2)C1 1407561498 SIPJIWCESDCDLD-UWVGGRQHSA-N 303.322 -0.729 30 20 DBED N#Cc1cn(CC(=O)N[C@H]2CCN(C3CC3)C2)c(=O)nc1O 1412458076 UAFAPHRPBSCPFY-JTQLQIEISA-N 303.322 -0.827 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@H]1CCN(C(N)=O)C1 1414301090 IGUAOLPFFYYENA-WDEREUQCSA-N 317.415 -0.297 30 20 DBED COc1ncc(C(=O)N2CC[C@@H](NC(=O)[C@@H](C)C#N)C2)cn1 1414804588 NYXMVPHIZIFWMW-GXSJLCMTSA-N 303.322 -0.024 30 20 DBED C[C@H](C#N)C(=O)N[C@H](CNC(=O)CN1CCCC1=O)C1CC1 1414828763 ZCKFDALVANGPSZ-ZYHUDNBSSA-N 306.366 -0.221 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](NC(=O)Cn1cnnn1)C1CCCC1 1417295408 PDEDQKHFZMPOBM-JQWIXIFHSA-N 319.369 -0.376 30 20 DBED C=C(Cl)CN[C@@H](C)CNC(=O)Cn1ncn2nccc2c1=O 1418281200 GLWQOQTZSSLOFJ-JTQLQIEISA-N 324.772 -0.262 30 20 DBED C[C@@H](C(=O)NCC1CN(C(=O)[C@H](C)C#N)C1)S(C)(=O)=O 1430406698 XAEKOVHNBBAACQ-BDAKNGLRSA-N 301.368 -0.846 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)c2cc(C(N)=O)ccn2)CC1 1433978208 ADFPBBQSSLHCBH-VIFPVBQESA-N 315.333 -0.281 30 20 DBED CC1CCN(C(=O)CNC[C@H](O)CNC(=O)[C@@H](C)C#N)CC1 1438981088 IUPKHUNFZCOGFA-STQMWFEESA-N 310.398 -0.529 30 20 DBED COc1nn(C)cc1C(=O)N(C)C[C@H](O)CNC(=O)[C@@H](C)C#N 1444704336 JHAKCASMUVBOKE-VHSXEESVSA-N 323.353 -0.863 30 20 DBED N#Cc1ccc(S(=O)(=O)N(CC(N)=O)C2CCOCC2)cn1 1464381956 KQSIGMKOWHYIMV-UHFFFAOYSA-N 324.362 -0.392 30 20 DBED C=C(C)CN(CC)C(=O)CN1CCC[C@@H](NC(=O)C(N)=O)C1 1479909301 ZEFCHEFOTSPXTI-GFCCVEGCSA-N 310.398 -0.523 30 20 DBED N#CC1(C(=O)O)CCN(C(=O)c2ccc3nnnn3c2)CC1 1571069720 PIASUTUMSPCVQV-UHFFFAOYSA-N 300.278 -0.045 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)NCc1cc(C(=O)O)no1 1573399689 PHQAGCIRBWFYOR-ZETCQYMHSA-N 302.312 -0.201 30 20 DBED CC(C)C#CC(=O)NC[C@@H](C)N=c1cc[nH]c(-c2nn[nH]n2)n1 1573946494 BCJSGQVQKTZOAA-SNVBAGLBSA-N 314.353 -0.345 30 20 DBED C=CC1(CC(=O)NCC2CCN(S(C)(=O)=O)CC2)CNC1 1574880250 QKHOKMDPSSPIIY-UHFFFAOYSA-N 315.439 -0.060 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)[C@H](C)OCc2cnn[nH]2)CC1 1575176924 IVVVCAHBYBIDCQ-UWVGGRQHSA-N 320.353 -0.366 30 20 DBED C#CCC[C@H](O)CNC(=O)NCc1nc(-c2nn[nH]n2)cs1 1588337419 PDIKSLUIDMLRJV-QMMMGPOBSA-N 321.366 -0.103 30 20 DBED C#CCN(CC(=O)O)[C@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 1588420173 ORHXOZXPBWUOED-MNOVXSKESA-N 316.379 -0.960 30 20 DBED C#CCNC(=O)c1ccc(N2C[C@@H](O)C[C@@H](C(=O)O)C2)nc1 1588485485 SFXCZOYYUDNGOR-NEPJUHHUSA-N 303.318 -0.284 30 20 DBED CN(CCC#N)S(=O)(=O)N1C[C@H]2COC[C@@]2(C(=O)O)C1 1593728823 PUULQRVGTPTPQH-ONGXEEELSA-N 303.340 -0.890 30 20 DBED COC(=O)C1(C(=O)Cn2cc(C(=O)O)cc(C#N)c2=O)CC1 1598716113 FTFCXHLOZDPWDQ-UHFFFAOYSA-N 304.258 -0.060 30 20 DBED N#C[C@H]1CN(S(=O)(=O)N2[C@H]3CC[C@H]2[C@H](C(=O)O)C3)CCO1 1601063342 PWBLQBJKTIGMBP-MMWGEVLESA-N 315.351 -0.607 30 20 DBED Cc1c(C(=O)OCC(=O)NCC#N)cccc1-c1nn[nH]n1 1605486400 TZVLWUHJAFWRGC-UHFFFAOYSA-N 300.278 -0.028 30 20 DBED Cn1c(O)nnc1CNC(=O)N1CCC(C#N)(C(=O)O)CC1 1608105249 XVYGNYUAAKTNIR-UHFFFAOYSA-N 308.298 -0.579 30 20 DBED N#CCNC(=O)CNC[C@H]1CCCN1C(=O)c1csc(O)n1 1715212583 QHPBEOIEUBCNNZ-SECBINFHSA-N 323.378 -0.317 30 20 DBED C=CCNC(=O)CN(C)CCCNC(=O)C1CN(C(C)=O)C1 1751987259 KNESYOSXQAVGSL-UHFFFAOYSA-N 310.398 -0.795 30 20 DBED CC#CCN1CCCC[C@H]1CNC(=O)Cn1ncn(C)c1=O 1752828123 QFIQALBPVBAEEH-ZDUSSCGKSA-N 305.382 -0.424 30 20 DBED C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccncc1)NCC(=O)NCC#N 1752876472 ZWALBFBVCIMNDL-FPMFFAJLSA-N 315.377 -0.081 30 20 DBED N#CCNC(=O)CN1CC[C@@H](CNC(=O)C23CCN(CC2)C3)C1 1753137487 KOAAFTKVZZNGIO-ZDUSSCGKSA-N 319.409 -0.840 30 20 DBED N#CCNC[C@H](O)CNC(=O)c1csc(-c2ncc[nH]2)n1 1753922576 XQVGNSKTQAZALW-QMMMGPOBSA-N 306.351 -0.263 30 20 DBED CCN(CCNCCS(C)(=O)=O)C(=O)c1cc(C#N)c[nH]1 1754039980 KJGVRORVPZILMO-UHFFFAOYSA-N 312.395 -0.017 30 20 DBED COCC#CCNC[C@H](C)NC(=O)[C@H](C)N1C(=O)CCC1=O 1754269390 KUQMMVDWPZZJBM-RYUDHWBXSA-N 309.366 -0.732 30 20 DBED C[C@H](CN(C)CC(=O)NCC#N)NC(=O)c1cccc(=O)n1C 1754325429 PHTOBGYRTXHPGI-LLVKDONJSA-N 319.365 -0.925 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1CC[C@@H]1CNC(=O)C(F)F 1754469036 ROIKYXAFBRREQI-DTWKUNHWSA-N 318.324 -0.158 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@@]1(O)CCN(CCF)C1 1754760978 WRTRDFNAEXVAJS-HIFRSBDPSA-N 315.389 -0.020 30 20 DBED C=C(C)CN1CC[C@](O)(CNC(=O)CN2CCC(=O)NC2=O)C1 1754761337 WMNCYSVBHJSXTO-HNNXBMFYSA-N 324.381 -0.943 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)c2cscn2)CCO1 1754996421 NLAIXWYPGWIROT-LLVKDONJSA-N 322.390 -0.677 30 20 DBED C#CCCNC[C@H]1CN(C(=O)c2nnn(C(C)(C)C)n2)CCO1 1755000693 OSXMLTSKDVXRRD-LBPRGKRZSA-N 320.397 -0.118 30 20 DBED O=C(CNC[C@H]1CN(C(=O)C#CC2CC2)CCO1)NCC1CC1 1755001782 FLGSHRUHHOFKLE-HNNXBMFYSA-N 319.405 -0.257 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)CCCN(C)[C@H](C)C(=O)NC 1755039341 PQKCZPQGIMTFAM-CABCVRRESA-N 322.453 -0.001 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC(C)(NCC(=O)NCC#N)CC1 1755128288 ZOYHWIGRWPBVES-ZDUSSCGKSA-N 320.393 -0.365 30 20 DBED C=CCNC(=O)CN(C)[C@@H](C)CNC(=O)c1cc2n(n1)CCO2 1755301140 FRNYISAKOIEASN-NSHDSACASA-N 321.381 -0.372 30 20 DBED C=CCOCC(=O)N1CC[C@H](NCCN2CCNC2=O)[C@H]1C 1755651737 JKPXXWUFLDQHGO-OLZOCXBDSA-N 310.398 -0.207 30 20 DBED CC#CCN[C@@H]1CCN(C(=O)CN(C)S(C)(=O)=O)[C@H]1C 1755653975 JFDDHBJEKIYXEY-NWDGAFQWSA-N 301.412 -0.520 30 20 DBED NC(=O)[C@@H]1C[C@@H]1C(=O)NCCOCCCNC(=O)C#CC1CC1 1756401325 HABRKJNJCCOLOU-OLZOCXBDSA-N 321.377 -0.840 30 20 DBED C#CCCCC(=O)N(C)[C@@H](CNC(=O)Cn1cnnn1)C1CC1 1756408503 ANHDNLCRARBXAQ-ZDUSSCGKSA-N 318.381 -0.170 30 20 DBED C[C@@H]1[C@H](C(=O)NC[C@H](CO)NC(=O)C#CC2CC2)CCN1C 1756525556 XWOKWPKVKYVRJJ-MRVWCRGKSA-N 307.394 -0.667 30 20 DBED C=CCCCC(=O)NC[C@H](CO)NC(=O)[C@@H]1CC(=O)N(C)C1 1756547021 ZUBZFHWTPOWYNZ-VXGBXAGGSA-N 311.382 -0.586 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1CN(C(=O)[C@]2(C)CNC(=O)C2)C[C@H]1O 1757022137 JPCNQUBYLAYLOD-UVWXRNBGSA-N 323.393 -0.587 30 20 DBED C=C(C)C(C)(C)C(=O)N[C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1O 1757022590 PNHYVYDMXTZXOD-ZYHUDNBSSA-N 321.381 -0.281 30 20 DBED C=C(C(=O)N1CC[C@@]2(CN(C(=O)CN)CCO2)C1)C(F)(F)F 1783202875 PSVKVKLCEPXKPL-GFCCVEGCSA-N 321.299 -0.107 30 20 DBED C#CCCC(=O)N1CC[C@@]2(CN(C(=O)CCC(N)=O)CCO2)C1 1785425620 SYQFNVFRDJCWJK-INIZCTEOSA-N 321.377 -0.505 30 20 DBED N#CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](N)CCC(N)=O)C2 1795461546 IXHPYHCPMNAIDT-USZNOCQGSA-N 321.381 -0.869 30 20 DBED C[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)S 1800988975 DHHFLIOGKZIVKW-MVCUBJFGSA-N 302.396 -0.725 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC[C@H](CNS(C)(=O)=O)C1 48574049 JIFUUAGTTKVKGV-NWDGAFQWSA-N 301.412 -0.615 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC[C@H](CNS(C)(=O)=O)C1 48574051 JIFUUAGTTKVKGV-VXGBXAGGSA-N 301.412 -0.615 30 20 DBED CN(CCC(=O)N(C)CCC#N)C[C@H](O)CN1CCOCC1 92800150 GLJGGYJJRSRFMW-AWEZNQCLSA-N 312.414 -0.627 30 20 DBED CN(C)C(=O)CN(C)C(=O)CNC(=O)c1ccc(C#N)cc1 153498428 UUUDFIYJIGBZCT-UHFFFAOYSA-N 302.334 -0.165 30 20 DBED CC(=O)N1CC[C@H](C(=O)N(CCC#N)CCN2CCOCC2)C1 176300544 WUHJGWXBPONYDK-HNNXBMFYSA-N 322.409 -0.071 30 20 DBED Cn1c(N2C[C@@H]3C[C@H]4C[C@H]3[C@H]2[C@@H]4O)c(C#N)c(=O)n(C)c1=O 249403458 CJAINDWHMITZCL-DDLVRULKSA-N 302.334 -0.839 30 20 DBED C=CC[C@H](C)NC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 265341190 PWIXTMXTNXLRFS-JTQLQIEISA-N 319.365 -0.095 30 20 DBED COC(=O)[C@H](NCCN1C(=O)CNC1=O)c1cccc(C#N)c1 267711604 SHOOCNALMHQKIY-CYBMUJFWSA-N 316.317 -0.086 30 20 DBED N#CCCCN1C(=O)C(=O)N(CCCN2CCOCC2)C1=O 268642659 RWHOLECMHSVNRR-UHFFFAOYSA-N 308.338 -0.197 30 20 DBED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc2c(c1)OCCO2 272078029 VXGRRNDJIWTPRS-UHFFFAOYSA-N 319.317 -0.185 30 20 DBED C[C@]1(NS(=O)(=O)c2cncc(C#N)c2)CCS(=O)(=O)C1 289673630 HGBIJGHDFLQHNT-NSHDSACASA-N 315.376 -0.191 30 20 DBED CCOC(=O)CO/N=C(/C(=O)N1CCCOC1)c1cc[nH]n1 297116880 OSWMVUVYNQXYKW-FOWTUZBSSA-N 310.310 -0.100 30 20 DBED C[C@H]1C(=O)NCCN1C(=O)C(=O)N(C)Cc1ccc(C#N)cc1 298773187 QVHATCSHROOOET-NSHDSACASA-N 314.345 -0.136 30 20 DBED CS(=O)(=O)N1CCC[C@H](N/C(O)=N/[C@@H]2C=C[C@H](CO)C2)C1 330079877 JAFWLYFEDALYLT-TUAOUCFPSA-N 317.411 -0.149 30 20 DBED CN1C(=O)C[C@H](NS(=O)(=O)Cc2cccc(C#N)c2)C1=O 330481923 SJCGRSNUBLNNJM-NSHDSACASA-N 307.331 -0.265 30 20 DBED Cc1nn(C)c(N=C(O)C(=O)N2CCN(CCO)CC2)c1C 330875265 WBUWMOKPOONVOU-UHFFFAOYSA-N 309.370 -0.239 30 20 DBED CNC(=O)C(C)(C)CN/C(O)=N/CCC(=O)N1CCOCC1 331338065 VUICIOFKCZLOHT-UHFFFAOYSA-N 314.386 -0.489 30 20 DBED COCCN(CCC#N)S(=O)(=O)NCCCNC(C)=O 336912569 ZBQZEWSUMLOZOF-UHFFFAOYSA-N 306.388 -0.791 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)NCC(=O)Nc1cccnc1 337049304 IHBJMUNOUXZMEG-JTQLQIEISA-N 311.367 -0.054 30 20 DBED CC(C)COC[C@@H](O)CNS(=O)(=O)N(C)C[C@H](C)C#N 337088644 HNNQQRCHWRDFFI-NEPJUHHUSA-N 307.416 -0.054 30 20 DBED CCN(CCC#N)S(=O)(=O)NCC1(S(C)(=O)=O)CC1 337165420 YPYYSICUUJRYDJ-UHFFFAOYSA-N 309.413 -0.366 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N[C@@H]2CCC[C@@H]2CCO)CCO1 337192490 UCVNRCWMDUBIOW-IJLUTSLNSA-N 303.384 -0.404 30 20 DBED CC(C)[C@H](C#N)NC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 343634092 FXDZZIHNCVBAMV-KGLIPLIRSA-N 322.409 -0.169 30 20 DBED CC(C)CNC(=O)N1CCC[C@H](C(=O)NCC(=O)NCC#N)C1 344162572 PZHBZKOBUUCTGN-LBPRGKRZSA-N 323.397 -0.180 30 20 DBED C=CCNC(=O)NC(=O)CN1C[C@@H](CO)[C@H](c2cnn(C)c2)C1 373079736 KFAMHLRHSANAKX-STQMWFEESA-N 321.381 -0.560 30 20 DBED N#C[C@H]1CN(C(=O)CCCS(=O)(=O)N2CCCC2)CCO1 408094088 FEFGNHNDOHPSNT-LBPRGKRZSA-N 315.395 -0.057 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N1CCSC[C@H]1C(=O)O 417482289 XLKNEQHAADKJDB-BDAKNGLRSA-N 307.397 -0.033 30 20 DBED C=CCN1CC[C@H](N2CCC[C@H]2C(=O)NCC(=O)OC)C1=O 419355016 LREAUXCVWUCMHI-RYUDHWBXSA-N 309.366 -0.473 30 20 DBED C[C@H](CN1CCOCC1)N(C)C(=O)CNc1ccc(C#N)cn1 447657076 DEEXSDMGGRCWNU-CYBMUJFWSA-N 317.393 0.544 30 20 DBED C#CCN1CCN(C(=O)CN2C(=O)N[C@H](CCCC)C2=O)CC1 490799177 CRKBVWXINSMYLL-CYBMUJFWSA-N 320.393 -0.126 30 20 DBED C#CCNC(=O)C1CCN(C(=O)N[C@@H]2CCCCNC2=O)CC1 491193174 WNBHKLDOZYXBAO-CYBMUJFWSA-N 320.393 -0.174 30 20 DBED CC(=O)c1cccc(OC[C@@H](O)CNCC(=O)NCC#N)c1 516762933 YNSAIGSYUKMHKL-ZDUSSCGKSA-N 305.334 -0.142 30 20 DBED N#Cc1cnn2cc(CNCCNC(=O)c3cnccn3)cnc12 558931499 DEHCSVAIFARJGK-UHFFFAOYSA-N 322.332 -0.089 30 20 DBED N#Cc1ncn(CCNC(=O)N2CCN(C(=O)C3CC3)CC2)n1 564238694 PMPWOUULTLQODC-UHFFFAOYSA-N 317.353 -0.586 30 20 DBED N#CCNC(=O)CNC(=O)N[C@@H]1CCN(C(=O)C2CCCC2)C1 588166361 KEBOXRCYHWQRHO-GFCCVEGCSA-N 321.381 -0.284 30 20 DBED CC[C@@H](C#N)N(C)C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 594101315 UYEDYFIVMFMWRZ-VIFPVBQESA-N 318.337 -0.806 30 20 DBED COCC(=O)N1CCN(C(=O)Nc2nn(C)cc2C#N)CC1 610564718 RLOQMWNFCRNTEZ-UHFFFAOYSA-N 306.326 -0.386 30 20 DBED COCCn1ccc(NC(=O)C(=O)N2CC[C@](F)(C#N)C2)n1 615631880 HJLSJCLERSGKAC-ZDUSSCGKSA-N 309.301 -0.068 30 20 DBED CS(=O)(=O)Cc1nc(=NC(=O)NCC2(CC#N)CC2)o[nH]1 619537661 SLBGOJSMJFMOKQ-UHFFFAOYSA-N 313.339 -0.149 30 20 DBED CC#CC[C@@H](CO)NS(=O)(=O)c1cccc(-n2cnnn2)c1 645883126 MQOGDXJADHLUMZ-NSHDSACASA-N 321.362 -0.285 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1CCN(CCCCO)CC1 746487760 JNCOZWZNYFAUGM-ZDUSSCGKSA-N 312.414 -0.223 30 20 DBED C#Cc1ccc(C(=O)N(CCO)CCN2CCOCC2)nc1 757111161 QJKDWXIHLURHED-UHFFFAOYSA-N 303.362 -0.170 30 20 DBED C#C[C@H](NC(=O)C1CCN(S(C)(=O)=O)CC1)[C@@H]1CCCO1 772896782 JZZFIRFGBSIGGR-STQMWFEESA-N 314.407 -0.045 30 20 DBED C#CCNC(=O)COC(=O)CCOc1ccc(C(N)=O)cc1 786127522 BKLCLACCXQOUNK-UHFFFAOYSA-N 304.302 -0.153 30 20 DBED N#CCNC(=O)CNC(=O)c1cnn(-c2ccc(F)cc2)n1 804821763 DJPITWASHMILBR-UHFFFAOYSA-N 302.269 -0.224 30 20 DBED C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)C[C@@H](C)C(=O)O 825608814 LRJGFOWYNVXJHI-NXEZZACHSA-N 323.392 -0.841 30 20 DBED C=CCONC(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1 837046988 UDJSCMGLQDRMTN-CYBMUJFWSA-N 311.382 -0.067 30 20 DBED CN1CCN(C(=O)NCCNc2ncccc2C#N)[C@@H](CN)C1 841738484 ZIXRHMMPQXDOSQ-ZDUSSCGKSA-N 317.397 -0.351 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@H](CC)NC(C)=O)CC1 865177440 CCJLPZPIZFSFJF-AWEZNQCLSA-N 322.409 -0.815 30 20 DBED C#CCn1ccc(CN(CC)C(=O)[C@H]2OCCN(C)C2=O)n1 907838356 NIBZTAONHSDACH-ZDUSSCGKSA-N 304.350 -0.278 30 20 DBED CON=Cc1ccc(C(=O)OCC(=O)N2CCNC(=O)C2)cc1 913318738 FKHXPHIJLIKCSC-UHFFFAOYSA-N 319.317 -0.218 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@H]1CC(=O)N(CC)C1 914799549 CJIYASSOTVTYAV-ZJUUUORDSA-N 311.338 -0.202 30 20 DBED CO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)c1cnn(C)n1 943105417 OQAQMSVYAJVYJV-CHWSQXEVSA-N 317.349 -0.816 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CCN(CC(N)=O)C[C@@H]2C)nc1 944193565 XOZZRYXYFLHAGF-WCQYABFASA-N 300.362 -0.012 30 20 DBED CN(C(=O)c1cnc(O)n(C)c1=O)[C@@H]1CCCN(CC#N)CC1 948673874 KVSGEVRHNJYIOG-LLVKDONJSA-N 319.365 -0.064 30 20 DBED C=CCn1cc(C(=O)N2CCN([C@H](C)C(=O)NC)CC2)nn1 951559524 AJLXYRJZIZXRRX-LLVKDONJSA-N 306.370 -0.644 30 20 DBED NC(=O)c1ccc(C(=O)NC[C@@H]2CCN2C(=O)C#CC2CC2)[nH]1 952155187 GAAUESUKUUSGMW-NSHDSACASA-N 314.345 -0.142 30 20 DBED CN(C(=O)C(F)F)[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1O 958373603 OTMGREBNMXPLOT-UWVGGRQHSA-N 312.276 -0.205 30 20 DBED C=CCCn1cc(C(=O)NC[C@H]2CN(CCCO)C[C@@H]2O)nn1 958466774 ARPWPGZCUFZLSA-JSGCOSHPSA-N 323.397 -0.741 30 20 DBED CC#CCN1C[C@H](O)[C@H](CNC(=O)c2ccc3nncn3c2)C1 958480448 AXRAGGNSNBDVRC-KGLIPLIRSA-N 313.361 -0.225 30 20 DBED CC#CCN1C[C@H](O)[C@H](CNC(=O)c2cn(C(C)C)nn2)C1 958547231 GRDIMBCZZGITKA-OCCSQVGLSA-N 305.382 -0.095 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](CNC(=O)C2CCN(C(N)=O)CC2)C1 958657055 BXNWJWXBZMGTHX-ZIAGYGMSSA-N 324.425 -0.238 30 20 DBED C=CCN1C[C@@H]2C(NC(=O)c3ccc(-n4cnnn4)cn3)[C@H]2C1 961357055 KAQWMYPSOOTIJM-RYUDHWBXSA-N 311.349 -0.097 30 20 DBED CC(C)(F)C(=O)N1C[C@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 962140356 WRSJLVXFYRWNRJ-MNOVXSKESA-N 308.313 -0.064 30 20 DBED CC(C)[C@@H](O)C(=O)N1C[C@H](O)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 962387548 GJTGOYNERJAGBI-FRRDWIJNSA-N 320.349 -0.795 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)c1ccc(O)nc1 964349106 RJEQLNLWFDNHQP-CMPLNLGQSA-N 318.333 -0.096 30 20 DBED N#Cc1ccccc1CN[C@@H]1CCN(C(=O)Cn2cnnn2)C1 966888711 FFIJLGYWEIGZOA-CQSZACIVSA-N 311.349 -0.065 30 20 DBED Cn1nnnc1CN[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 968442071 NMMPFYDUCQUGKS-SNVBAGLBSA-N 300.326 -0.586 30 20 DBED C#CCN1CC[C@H](C)[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)C1 968541063 XVZBKVMUUXVQSY-RYUDHWBXSA-N 306.366 -0.660 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)CCn3ccnn3)C2)C1 972356370 AZRCCYDVEUWANA-HNNXBMFYSA-N 303.366 -0.395 30 20 DBED CN1C[C@@H](C(=O)N2CC[C@@]3(CN(CC#N)CCO3)C2)CC1=O 972406189 CRMDLVHDOWQTMS-SWLSCSKDSA-N 306.366 -0.708 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)[C@H]3CC(=O)N(CC)C3)C2)C1 972406895 IHDNIHKNNLMUTP-WMLDXEAASA-N 319.405 -0.209 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](CNC(=O)c2nccnc2N)C1 983215633 NGUGSDGTDSAAIB-UWVGGRQHSA-N 302.338 -0.203 30 20 DBED C=CCN1CC[C@]2(NC(=O)CN3C(=O)CNC3=O)CCC[C@@H]12 992476492 PEVPUOFJYQKJBJ-IAQYHMDHSA-N 306.366 -0.163 30 20 DBED C=CCn1cccc1C(=O)NC1CN(C(=O)[C@H]2CCNC2=O)C1 994205364 LVQHPKPFGUMIDU-LBPRGKRZSA-N 316.361 -0.249 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](NCCN2C(=O)CNC2=O)C(C)(C)C1 995566959 VHFWDNWFTHRSBZ-QWRGUYRKSA-N 321.381 -0.476 30 20 DBED Cc1nonc1CC(=O)NC1[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]12 1013701036 YLJDQLDLZZVDKI-FXBDTBDDSA-N 303.322 -0.347 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2ccc(=O)n(CCOC)n2)C1 1015180289 ZTDOPZGHYSWTES-ZDUSSCGKSA-N 318.377 -0.283 30 20 DBED N#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)c1coc(S(N)(=O)=O)c1 1017671890 DKCZGZPVXJVEAG-PHIMTYICSA-N 324.362 -0.261 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCN(C(=O)[C@]3(C)CNC(=O)C3)C2)C1 1019364673 JNSFQBNNBASXTH-ABAIWWIYSA-N 318.377 -0.267 30 20 DBED C[C@H](C#N)C(=O)N1CCCO[C@@H](CNC(=O)c2cncnc2)C1 1019571678 HQXNYIZAVOAECN-YPMHNXCESA-N 317.349 -0.016 30 20 DBED C#CCN[C@@H]1CC[C@H]2CN(C(=O)CN3C(=O)CN(C)C3=O)C[C@H]21 1026415881 NDTPTVHHFGSWAB-YNEHKIRRSA-N 318.377 -0.660 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](CNCc2nnc3n2CCOC3)C1 1026732379 IUOPFYTWCIQKFH-NWDGAFQWSA-N 318.381 -0.094 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2[C@@H]1CCC(=O)NC1=O 1029244442 HEHGWJKMCSACGZ-NNYUYHANSA-N 304.350 -0.374 30 20 DBED C[C@H](C(=O)N1C[C@@H]2CC[C@H](C1)N2CC#N)N1C(=O)CCC1=O 1029330358 MFNYXYGPIFPHDY-UTUOFQBUSA-N 304.350 -0.277 30 20 DBED C=CCN1[C@H]2CC[C@H]1CN(C(=O)[C@@H]1CCN(C)S1(=O)=O)C2 1029510482 AHDVHAMPWZYMEA-AVGNSLFASA-N 313.423 -0.119 30 20 DBED C#CCN1CCC(C(=O)N2C[C@@H]3CC[C@H](C2)N3CC(N)=O)CC1 1029596705 WOZUJFCKIDOBMO-GASCZTMLSA-N 318.421 -0.508 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)Cn3cc(C)cn3)C2)C1=O 1030141927 TTYWJRCHNAASOH-CQSZACIVSA-N 317.393 -0.221 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)c3cnc(C)[nH]3)C2)C1=O 1030163612 QBMWBEFHEDQIEU-ZDUSSCGKSA-N 303.366 -0.081 30 20 DBED N#Cc1ccc(CN2CC(NC(=O)Cn3cnnc3O)C2)s1 1030238125 XQXILMLPAYJFOF-UHFFFAOYSA-N 318.362 -0.083 30 20 DBED C=CCN1CC[C@H](N2CC(CNC(=O)[C@@H]3CCCN3C)C2)C1=O 1031584744 JKAKRUVOQXFNQZ-GJZGRUSLSA-N 320.437 -0.085 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCC1CN(Cc2cnn(C)n2)C1 1031987563 UEGUSQWGIWSRRT-KGLIPLIRSA-N 305.382 -0.046 30 20 DBED C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3[C@@H]2CCNC2=O)cn1 1032739402 BTIIWLMPSWNSIZ-SOUVJXGZSA-N 310.357 -0.150 30 20 DBED CN1CC(=O)N(CC(=O)N[C@H]2CCCCN(CC#N)C2)C1=O 1034519009 AGAQOOHQSMHFJZ-NSHDSACASA-N 307.354 -0.625 30 20 DBED CN(C)CCn1ccc(C(=O)NC[C@@H]2CN(CC#N)CCO2)n1 1035370384 KZFZOIONSUWPGA-CYBMUJFWSA-N 320.397 -0.601 30 20 DBED CC#CCN1CCO[C@H](CNC(=O)c2ccc(C(N)=O)o2)C1 1035441984 NHXDDIURAKMQND-LLVKDONJSA-N 305.334 -0.168 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2CN([C@@H](C)C(N)=O)CCO2)cc1 1035471250 PYHNBQUBQRBBEU-SWLSCSKDSA-N 315.373 -0.028 30 20 DBED CS(=O)(=O)CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)c1c[nH]c(C#N)c1 1037370724 IZGOPPBBPJMERQ-WXHSDQCUSA-N 322.390 -0.267 30 20 DBED C=CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)CN1CCCCS1(=O)=O 1037509688 XORURVCCIZBFOF-MBNYWOFBSA-N 313.423 -0.213 30 20 DBED C#CCN1CC[C@@H](C2CCN(C(=O)[C@H]3CNC(=O)N3)CC2)C1 1039155574 TUXYFPIFVWYSMM-ZIAGYGMSSA-N 304.394 -0.139 30 20 DBED CCn1nncc1C(=O)NC[C@@]1(O)CCN(C(=O)[C@@H](C)C#N)C1 1039642858 NFAUVPMFWCYBTR-HZMBPMFUSA-N 320.353 -0.849 30 20 DBED N#CCN1[C@H]2CCC[C@H]1CN(C(=O)CN1CCC(=O)NC1=O)C2 1039968711 DUYFTBDBPBXCNK-RYUDHWBXSA-N 319.365 -0.483 30 20 DBED Cc1ccc(C(=O)N2CC[C@](O)(CNC(=O)[C@@H](C)C#N)C2)nn1 1040764648 XCUHHAVDZBRTPK-BONVTDFDSA-N 317.349 -0.362 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CN(c3cc(F)ncn3)C[C@H]2O)c1 1040961383 IKSGIHRYBGVVQM-GHMZBOCLSA-N 316.296 -0.205 30 20 DBED C=CCCn1cc(C(=O)N2CC(O)(CNC(=O)CCC)C2)nn1 1041190032 XSRKXOCRVCNEEN-UHFFFAOYSA-N 321.381 -0.043 30 20 DBED C=CCCOCC(=O)N1CC(O)(CNC(=O)[C@@H](CC)OC)C1 1041913279 ISCMLLQCROFBIM-GFCCVEGCSA-N 314.382 -0.306 30 20 DBED C#CCCCCC(=O)NCC1(O)CN(C(=O)[C@@H](C)OCC#C)C1 1042663812 GRVKHYMIHALMFG-CQSZACIVSA-N 320.389 -0.092 30 20 DBED CN1CCC[C@H]1C(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@@H]1O 1043874821 JVKMZLLQIKFUBT-ILXRZTDVSA-N 315.377 -0.287 30 20 DBED Cc1nonc1C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1044028050 CFCHHRYBJNBWRE-ZJUUUORDSA-N 315.293 -0.981 30 20 DBED C#CCN[C@H]1CCN(C(=O)CN2CCN(C)C(=O)C2)[C@@H](C)C1 1044655992 FLNRAMOYYHSNFR-KBPBESRZSA-N 306.410 -0.637 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)CCCN(C)C)C1 1045413541 PZYQVORLDQWREF-UHFFFAOYSA-N 313.398 -0.780 30 20 DBED Cc1cc(C(=O)N2CC(O)(CNC(=O)[C@@H](C)C#N)C2)ns1 1045541367 UZXKMZOMBUSZFB-QMMMGPOBSA-N 308.363 -0.086 30 20 DBED C=CCN1[C@H]2CC[C@H]1CN(C(=O)CN1CC(=O)NC1=O)CC2 1045864798 HCNTXLAAUSSEBZ-RYUDHWBXSA-N 306.366 -0.211 30 20 DBED C#CCN1CC[C@H](N2CCN(C(=O)[C@]3(F)CCOC3)CC2)C1 1046055913 KFGRKGDBYKRYDL-HOCLYGCPSA-N 309.385 -0.033 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccnc3[nH]nnc23)C1 1047452848 XVFBUPYSERRWKV-RYUDHWBXSA-N 314.349 -0.507 30 20 DBED COCCC1(C(=O)N(C)[C@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)CC1 1048945919 MUHCHBJVYJQZJT-AGIUHOORSA-N 323.393 -0.007 30 20 DBED Cc1nn(C)cc1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)C#N)C1 1049389622 ZHPHGLQSJFFWFD-ICCXJUOJSA-N 319.365 -0.468 30 20 DBED C[C@@H]1[C@@H](NC(=O)[C@H]2COCCO2)CCN1c1cncc(C#N)n1 1050065534 MHJBBDLYOKSGLZ-KGYLQXTDSA-N 317.349 -0.153 30 20 DBED N#Cc1cnc(N2CC[C@H](NC(=O)c3ccon3)[C@H](O)C2)cn1 1051632758 UPHQRZWCABYZTL-CMPLNLGQSA-N 314.305 -0.294 30 20 DBED C#CCCN1CCN([C@H]2CCN(C(=O)c3nnn(C)n3)C2)CC1 1052067923 QPTJOTYDKMSWHV-ZDUSSCGKSA-N 317.397 -0.935 30 20 DBED C#CCCN1CCC[C@H](NC(=O)CN2C(=O)CN(C)C2=O)CC1 1052922121 NLCNYFIJXPSIJA-ZDUSSCGKSA-N 320.393 -0.126 30 20 DBED C#CCN1CC2(C1)CN(C(=O)C[C@H]1CCOC[C@@H]1OC)CCO2 1053285429 VTNPDNDVHJVNRX-CABCVRRESA-N 322.405 -0.026 30 20 DBED C[C@@H](C#N)C(=O)NC1CCN(CCNC(=O)c2cnn[nH]2)CC1 1055596680 AHYINDCOGUFBTF-JTQLQIEISA-N 319.369 -0.725 30 20 DBED Cn1ncc(C(=O)N[C@H]2[C@@H]3CN(c4ccc(C#N)nn4)C[C@@H]32)c1N 1056176258 LLQZCALLRUDBPY-PJXYFTJBSA-N 324.348 -0.471 30 20 DBED CN1C[C@@H](C(=O)N2CC[C@@H](Nc3ccc(C#N)cn3)C2)NC1=O 1056745415 YMBFHZUYKQHCKR-NEPJUHHUSA-N 314.349 -0.010 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)CCn1cncn1 1056992127 YAOMKKBTYYHSGA-UHFFFAOYSA-N 321.381 -0.591 30 20 DBED CCc1nc(C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N)co1 1057401141 JACZHQWXLOLYNZ-JTQLQIEISA-N 308.338 -0.053 30 20 DBED N#Cc1cncc(N2CC[C@H](NC(=O)[C@@H]3COC(=O)N3)C2)n1 1058350984 XMUWEVPOPISMRV-WPRPVWTQSA-N 302.294 -0.848 30 20 DBED Cc1cc(C#N)nc(N2CC[C@H](NC(=O)[C@@H]3COC(=O)N3)C2)n1 1058350996 XQOXADYBWNMXJV-ONGXEEELSA-N 316.321 -0.540 30 20 DBED CN1CC[C@@H](C(=O)N[C@@H]2CCN(c3nccnc3C#N)C2)C1 1058373415 HWOHBOUBXGYGNT-VXGBXAGGSA-N 300.366 -0.005 30 20 DBED C=C[C@@H](C)[C@H](C)C(=O)N(CCO)CCNC(=O)CNC(N)=O 1058433285 MZHCVQSOHHYOIF-MNOVXSKESA-N 314.386 -0.950 30 20 DBED C[C@H]1C[C@@H](C(=O)NCCN(CCO)C(=O)[C@H](C)C#N)CCN1C 1058663083 HSMOWGWORFXZFV-RDBSUJKOSA-N 324.425 -0.187 30 20 DBED N#Cc1cncc(N[C@H]2CCN(C(=O)CN3CCOCC3)C2)n1 1058862888 WQKIXQMLWDGFDE-LBPRGKRZSA-N 316.365 -0.307 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H]1CC[C@@H]2CN(C(=O)CC(N)=O)C[C@@H]21 1060522665 BWNDKLUAEQYZBW-SCDSUCTJSA-N 313.361 -0.101 30 20 DBED C#CCCCCC(=O)N1CCOC[C@@H]1CNC(=O)CNC(C)=O 1061217524 SAQLLOJWQOVFDM-AWEZNQCLSA-N 323.393 -0.340 30 20 DBED C#CCCCC(=O)NC[C@@H]1COCCN1C(=O)[C@H](C)NC(N)=O 1061540678 PSQKCLFFBITZMK-NWDGAFQWSA-N 324.381 -0.810 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@H]1COCCN1C(=O)c1ncc[nH]1 1061541800 DJLKTGLSXJTVPK-NHYWBVRUSA-N 322.365 -0.306 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)Cc1cncnc1 1061541913 FSXSOYKCPRJPMD-AAEUAGOBSA-N 317.349 -0.478 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)C1=CCOCC1 1061848748 UTUJAMCLHRRIFT-YPMHNXCESA-N 307.350 -0.164 30 20 DBED N#Cc1cncc(N2CC[C@H]3CC[C@@H](C2)N3C(=O)CC(N)=O)n1 1064466433 NKVDDXUISVJWGB-NEPJUHHUSA-N 314.349 -0.207 30 20 DBED C=CCCC(=O)N1CCO[C@H](CNC(=O)[C@@H](C)CC(N)=O)C1 1064960201 SJKJBPCHLYLDGL-NWDGAFQWSA-N 311.382 -0.192 30 20 DBED C=CCOCC(=O)N1CCC[C@H](NC(=O)Cn2ncnn2)CC1 1066202847 TYSNTQVEOJKSCO-LBPRGKRZSA-N 322.369 -0.627 30 20 DBED CC(C)(O)CC(=O)N1CCO[C@H](CN=c2cc[nH]c(C#N)n2)C1 1066624135 UQTJPXQEXVJQGV-LLVKDONJSA-N 319.365 -0.430 30 20 DBED N#Cc1cnc(N2C[C@@H](O)[C@H](CNC(=O)c3cc[nH]c3)C2)cn1 1067695610 MZAJKXDRMKTNLI-DGCLKSJQSA-N 312.333 -0.097 30 20 DBED C=CCC(CC=C)C(=O)N1CC2(C[C@@H](NC(=O)C(N)=O)CO2)C1 1068992315 JAEMCGOLHKCCPF-GFCCVEGCSA-N 321.377 -0.274 30 20 DBED C=CCOCC(=O)N1CC2(C[C@@H](NC(=O)[C@@H](C)C#N)CO2)C1 1069003548 NJTSZMWREXQZKS-NWDGAFQWSA-N 307.350 -0.165 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)Cc2nc[nH]n2)CCOCC1 1070262554 YYGMERBAKBGNSI-SNVBAGLBSA-N 320.353 -0.712 30 20 DBED C=CCN[C@@H]1CN(C(=O)[C@H]2COCCO2)C[C@H]1c1cn(C)cn1 1070472619 PPKKOUDOOVWGIT-NWANDNLSSA-N 320.393 -0.095 30 20 DBED Cn1cncc1[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NCCO 1070644962 FXNBEAWIPVXTSF-ZIAGYGMSSA-N 302.378 -0.290 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCC[C@@H](NC(=O)[C@H]2CCC(=O)N2)C1 1070667340 CAWLZOLPJMZDKL-HSMVNMDESA-N 323.393 -0.301 30 20 DBED C=CCOCC(=O)N[C@@H]1CCCN(C(=O)CCNC(N)=O)C1 1070714262 HYOPBSAWKPZVJG-LLVKDONJSA-N 312.370 -0.645 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)[C@H]2CCCNC2=O)CC1 1070971629 JGETUVIKVGVEOH-ZDUSSCGKSA-N 322.409 -0.651 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)C[C@@H]2CCN(C)C2)CC1 1071015432 DGYYFKKMDGGDEN-HNNXBMFYSA-N 320.437 -0.388 30 20 DBED C=CCCC(=O)N1C[C@H](C)[C@@H](NC(=O)Cn2ncn(C)c2=O)C1 1071784533 GALZFZUGTKYXIU-RYUDHWBXSA-N 321.381 -0.489 30 20 DBED C=CCOCC(=O)N1C[C@@H](NC(=O)CNC(=O)C2CC2)[C@H](C)C1 1071808192 FPVDICYMDKBCCY-DGCLKSJQSA-N 323.393 -0.322 30 20 DBED C[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)C(=O)NCC1CC1 1072038698 IMNNLVNEINABGB-SMDDNHRTSA-N 317.389 -0.111 30 20 DBED N#CCN1CCCO[C@H](CNC(=O)[C@@H]2CCCCN2C(N)=O)C1 1073853774 OFTFYAGPPNMPPN-OLZOCXBDSA-N 323.397 -0.350 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(O)(CNC(=O)Cn2ccnc2)CC1 1074705965 CXJHAMXNWNIACS-LBPRGKRZSA-N 319.365 -0.488 30 20 DBED C#CCCN1C[C@@H]2CCN(C(=O)CC3CS(=O)(=O)C3)[C@@H]2C1 1075970296 SCLLUPXXDGBUCV-UONOGXRCSA-N 310.419 -0.023 30 20 DBED C[C@@H](CCNC(=O)C#CC1CC1)NC(=O)[C@@H]1COCCN1C 1076423604 QCYZRPCDRXZYGA-JSGCOSHPSA-N 307.394 -0.259 30 20 DBED CNC(=O)NC(C)(C)C(=O)NCC[C@H](C)NC(=O)[C@@H](C)C#N 1076912796 WUAVPHNDSVLACA-UWVGGRQHSA-N 311.386 -0.135 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)c2cnn3c(=O)cc[nH]c23)C1 1077796630 NTTHDXXZBJJXNW-VXGBXAGGSA-N 317.349 -0.626 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@@]2(C)CCN(C(C)=O)C2)C1 1077963896 LFVHEMHRNRCYEN-FMKPAKJESA-N 307.394 -0.571 30 20 DBED C=CCn1cc(C(=O)N2C[C@H]3CC[C@H]2[C@H](NCC(N)=O)C3)nn1 1079057465 CYOCSFOTFDELQE-LOWVWBTDSA-N 318.381 -0.468 30 20 DBED CCN(C(=O)C#CC(C)C)C1CN(C(=O)CCn2cnnn2)C1 1079730267 QXGRWJWYNLNJIX-UHFFFAOYSA-N 318.381 -0.218 30 20 DBED CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)CN2CCCNC2=O)C1 1080413004 NPCBPWKJFLLMMQ-LLVKDONJSA-N 321.381 -0.379 30 20 DBED C=CCCC(=O)N1CCC(CO)(NC(=O)CC(=O)NC)CC1 1080828024 PZVURHRWDLDXPZ-UHFFFAOYSA-N 311.382 -0.442 30 20 DBED O=C(C#CC1CC1)NC1(CO)CCN(C(=O)c2cc[nH]n2)CC1 1080853344 UINBCRFIKRVNJU-UHFFFAOYSA-N 316.361 -0.094 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@H](CNC(=O)COCCC)C1 1081327113 IWLIBWMKIYJSRR-CHWSQXEVSA-N 314.382 -0.449 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)CN(C)C(C)=O)C[C@@H]1O 1081332800 KXNPRCAIFSEUHX-STQMWFEESA-N 311.382 -0.634 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)Cc2cncnc2)C[C@@H]1O 1081335339 KFVKLIUNHYGLGT-KBPBESRZSA-N 318.377 -0.079 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)CC(=O)N(C)C)C[C@@H]1O 1081337603 GZRVEWXDBAVTMM-NEPJUHHUSA-N 311.382 -0.634 30 20 DBED C=C(Cl)CN1C[C@@H](NC(=O)[C@H]2CCC(=O)N2)[C@H](OC)C1 1081443077 MMYGRAWXUSFMSZ-GMTAPVOTSA-N 301.774 -0.167 30 20 DBED C#CCCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2ncn(C)n2)C1 1081454813 FFKWJEMEQBFEKQ-NWDGAFQWSA-N 319.365 -0.832 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)c2csnn2)C[C@H]1O 1081463827 SHBAIFXDLWGASW-CMPLNLGQSA-N 322.390 -0.253 30 20 DBED COc1ccc(CC(=O)N[C@@H]2CN(CC#N)C[C@H]2OC)nc1 1082063789 GXIYDAAOMMDRLZ-ZIAGYGMSSA-N 304.350 -0.028 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CCCCC(=O)N1 1083190237 FAOKIUFREZGLIA-SOUVJXGZSA-N 319.405 -0.020 30 20 DBED Cc1nc(CN2C[C@H](O)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)n[nH]1 1083413184 CHEMZCYIUHHJIT-NEPJUHHUSA-N 315.337 -0.712 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN([C@H](C)C(=O)NC)C[C@@H]2O)cc1 1083691512 RXHIHICSMYDTKD-DFBGVHRSSA-N 315.373 -0.423 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)c2ccnc3c2nnn3C)C1 1083731868 RHMBXNQQQNJXSS-MNOVXSKESA-N 302.338 -0.676 30 20 DBED CCO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1CN[C@@H]1CCNC1=O 1087053402 NJZSOAWOMQTOEP-RBSFLKMASA-N 319.405 -0.259 30 20 DBED C#CCN1C[C@H]2CC[C@H]1[C@H]1CN(C(=O)C3CS(=O)(=O)C3)C[C@@H]21 1087358909 NVMSEGRGGZDPBJ-UNQGMJICSA-N 322.430 -0.167 30 20 DBED N#Cc1cncc(N2C[C@@H]3CCN(C(=O)CNC(N)=O)[C@@H]3C2)n1 1090289403 YIYUSIBDDHJBRF-GXSJLCMTSA-N 315.337 -0.946 30 20 DBED N#CCN1CC[C@H](NC(=O)c2cnc3[nH]nnc3c2)[C@@H](O)C1 1090328018 WXVAPJRUNAFNKX-ONGXEEELSA-N 301.310 -0.959 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2cnc3[nH]ncc3c2)[C@H](O)C1 1090356885 ZDNKNQHKQUYXBP-VXGBXAGGSA-N 300.322 -0.354 30 20 DBED Cc1nc2c(C(=O)N[C@H]3CCN(CC#N)C[C@H]3O)ccnc2[nH]1 1090447270 YFEFUHJIMPXZDW-NWDGAFQWSA-N 314.349 -0.045 30 20 DBED C=CCN1CC[C@@H](NC(=O)C2CCN(C(C)=O)CC2)[C@H](O)C1 1090793607 GEFLKTHEYBYTCA-HUUCEWRRSA-N 309.410 -0.018 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2ccc(C(N)=O)cc2)[C@@H](O)C1 1090803147 XSSNHGOXYNAMSD-OLZOCXBDSA-N 302.334 -0.526 30 20 DBED CCc1nnc(N2C[C@H](O)[C@H](NC(=O)[C@@H](C)C#N)C2)nc1CC 1091079883 YSSWMARVUUFRDL-BIMULSAOSA-N 318.381 -0.178 30 20 DBED CC(=O)NCC(=O)NCC1CC(Nc2ccc(C#N)nn2)C1 1092185794 BIAVUTHQASCGOO-UHFFFAOYSA-N 302.338 -0.209 30 20 DBED N#CCN1CC(OC2CCN(C(=O)[C@H]3CCC(=O)NC3)CC2)C1 1093548605 IPRXTPCTOINSGP-LBPRGKRZSA-N 320.393 -0.272 30 20 DBED CC(=O)N[C@H](CC(C)C)C(=O)NCCN=c1cc[nH]c(C#N)n1 1093765862 DMZXASJNKUGIIG-GFCCVEGCSA-N 318.381 -0.151 30 20 DBED N#Cc1nc(=NCCNC(=O)c2ccn3nnnc3c2)cc[nH]1 1094032682 QWANPCPQVSDWEZ-UHFFFAOYSA-N 309.293 -0.950 30 20 DBED Cc1cc(=NCCNC(=O)[C@H]2CC[C@@H]2C(N)=O)c(C#N)c[nH]1 1094035219 WPOFGIWIMCAWHX-RYUDHWBXSA-N 301.350 -0.277 30 20 DBED CC[C@]1(C(=O)NCCN=c2cc[nH]cc2C#N)CCNC1=O 1094219140 QZTCOJWCNNIONT-HNNXBMFYSA-N 301.350 -0.180 30 20 DBED C=CCN1CC(n2cc(CNC(=O)[C@H]3CC[C@@H]3C(N)=O)nn2)C1 1094309862 TXIFNFUTWMSXRP-STQMWFEESA-N 318.381 -0.552 30 20 DBED CN1C[C@@H](C(=O)NCCCNc2cncc(C#N)n2)NC1=O 1094709404 PMYIQFITCJBSOQ-JTQLQIEISA-N 303.326 -0.710 30 20 DBED C#CCCN1CC(N2C[C@H](NC(=O)c3n[nH]cc3F)CC2=O)C1 1094785813 QGBBMFBMJGYLJU-SNVBAGLBSA-N 319.340 -0.413 30 20 DBED CNC(=O)CC(=O)N1CCC[C@H](Nc2cnc(C#N)cn2)C1 1095288403 FAVLEQAPSQYZHH-JTQLQIEISA-N 302.338 -0.113 30 20 DBED CN(CCCNC(=O)C[C@H]1CCC(=O)N1)c1nccnc1C#N 1095591722 LKAIHXRPYGNVBR-LLVKDONJSA-N 316.365 -0.041 30 20 DBED N#Cc1cnc(N2CCC[C@H](NC(=O)CNC(N)=O)C2)cn1 1096136919 PTPIYIHASXCVQQ-VIFPVBQESA-N 303.326 -0.898 30 20 DBED CNC(=O)NCC(=O)N[C@H]1CCN(c2nc(C)ccc2C#N)C1 1096493509 UGHSNOSEXCNTAM-LBPRGKRZSA-N 316.365 -0.114 30 20 DBED C[C@H](NC(N)=O)C(=O)NC[C@@H](Nc1ccc(C#N)nn1)C1CC1 1096656321 RAGRACOJYVWJLV-GZMMTYOYSA-N 317.353 -0.288 30 20 DBED Cc1cc(C#N)nc(N[C@H]2C[C@@H](NC(=O)CNC(N)=O)C2)n1 1097146313 XLDOJWYXKBXKDI-DTORHVGOSA-N 303.326 -0.616 30 20 DBED C[C@H](CNC(=O)C1CS(=O)(=O)C1)Nc1nccnc1C#N 1098071366 VIJLUWNOMQBHLZ-MRVPVSSYSA-N 309.351 -0.691 30 20 DBED C=CCN(CCO)C1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)CC1 1098395863 BLMRPWRZZOPNTI-LBPRGKRZSA-N 324.381 -0.944 30 20 DBED C=C(C)CCNCc1cn([C@@H]2CCN(C(=O)C(N)=O)C2)nn1 1098710645 IHJCBZOWLDJJMA-GFCCVEGCSA-N 306.370 -0.407 30 20 DBED CCCC(=O)NCC(=O)NCC[C@H](C)N=c1cc[nH]c(C#N)n1 1098847747 NREAZVJCDHCTHM-NSHDSACASA-N 318.381 -0.007 30 20 DBED C#CCN1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2NC(=O)NC2=O)C1 1098881750 YUVCGUULCGYDDN-PGUXBMHVSA-N 304.350 -0.812 30 20 DBED C[C@@H](CCNC(=O)[C@H](C)NC(N)=O)N=c1cc[nH]cc1C#N 1099040176 ABOQDXWQIKQPPM-UWVGGRQHSA-N 304.354 -0.261 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)Cc2ccn(C)n2)[C@@H](O)C1 1099816062 QHOWWMBLVDTNGT-CABCVRRESA-N 322.409 -0.283 30 20 DBED C=CCCN1CC[C@@H](NC(=O)CNS(=O)(=O)CC)[C@H](O)C1 1099860619 FKJNIKPHXHIJPD-VXGBXAGGSA-N 319.427 -0.947 30 20 DBED CN(CCNC(=O)c1cnn(C)c1N)c1cnc(C#N)cn1 1100070866 FSKSPCUNENNPFK-UHFFFAOYSA-N 300.326 -0.470 30 20 DBED CCN1CCOC[C@@H]1C(=O)NCCN(C)c1ccnc(C#N)n1 1100219692 JUZPXBINEYCHLL-GFCCVEGCSA-N 318.381 -0.379 30 20 DBED C[C@H](C(=O)NCCN(C)c1ccnc(C#N)n1)S(C)(=O)=O 1100393906 BBVLNSXYGWTSPI-SECBINFHSA-N 311.367 -0.666 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)CC(=O)N(C)C)c3nccn32)C1 1101645985 JVZPGNGMIRPLFA-GFCCVEGCSA-N 315.377 -0.434 30 20 DBED CN(CCNc1ccc(C#N)nn1)C(=O)[C@@H]1CCN(C)C1=O 1101907694 MPZRAYVYVXMFRH-LLVKDONJSA-N 302.338 -0.303 30 20 DBED C[C@@H](C(=O)N(C)CCN=c1cc[nH]c(C#N)n1)S(C)(=O)=O 1102032572 OUMKGAHFRUXRLL-VIFPVBQESA-N 311.367 -0.926 30 20 DBED COCC#CCN1C[C@@H](C)[C@H](CNC(=O)c2c[nH]c(=O)cn2)C1 1102287290 WOTJGZNDKUAVPC-CHWSQXEVSA-N 318.377 -0.283 30 20 DBED CC#CCN1C[C@@H](C)[C@H](CNC(=O)[C@H](C)NS(C)(=O)=O)C1 1102404552 AZXGCTHPOLOJTA-FRRDWIJNSA-N 315.439 -0.369 30 20 DBED CCNC(=O)CC(=O)N(C)[C@H]1CCN(c2cnc(C#N)cn2)C1 1102696207 VUHRGDKTTLLFIJ-LBPRGKRZSA-N 316.365 -0.088 30 20 DBED CC[C@@H](CNC(=O)[C@@H]1CCC(=O)N1)N=c1cc[nH]cc1C#N 1103144563 XWRKIMAATVPMPY-AAEUAGOBSA-N 301.350 -0.040 30 20 DBED CC(=O)N1CC(C(=O)NC[C@H](C)CN=c2cc[nH]c(C#N)n2)C1 1103941173 HRQBWXONBLQBNC-SNVBAGLBSA-N 316.365 -0.587 30 20 DBED C#CCNCC[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@H]1C 1104367432 SMFOWJZPLQKVEL-CHWSQXEVSA-N 305.382 -0.711 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)[C@]1(C)CCC(=O)N1 1104790298 VOSJYDDTRJTKNE-BMIGLBTASA-N 316.365 -0.302 30 20 DBED C#CCNCc1cn(C2CN(C(=O)COCC3CC3)C2)nn1 1105171606 OXLDLSAFRVOQSA-UHFFFAOYSA-N 303.366 -0.189 30 20 DBED CC[C@H](SC)C(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1 1105822305 NDOWWUXUGFSCRR-ZJUUUORDSA-N 309.395 -0.199 30 20 DBED CCn1ncc(C(=O)NC[C@H](O)CNc2cncc(C#N)n2)n1 1105822929 WSKQODBZLZSBGJ-SNVBAGLBSA-N 316.325 -0.838 30 20 DBED Cc1nc(NC[C@@H](O)CNC(=O)Cn2cncn2)ccc1C#N 1105838813 DWTQQPHYBUZERY-GFCCVEGCSA-N 315.337 -0.558 30 20 DBED CN1CC[C@H](C(=O)NC[C@H](O)CNc2ccc(C#N)cn2)C1 1105853026 FJUTXNXHRDSCCN-QWHCGFSZSA-N 303.366 -0.206 30 20 DBED CCc1nc[nH]c1C(=O)NC[C@H](O)CNc1nccnc1C#N 1105921817 IQATYAIOZRJMOZ-SECBINFHSA-N 315.337 -0.163 30 20 DBED Cc1nn[nH]c1C(=O)NC[C@H](O)CN=c1cc[nH]cc1C#N 1106035496 ITGITAOQZWZVTN-SNVBAGLBSA-N 301.310 -0.996 30 20 DBED Cc1ncc(C(=O)NC[C@H](O)CNc2nccnc2C#N)n1C 1106093011 SBBPJFBNGXPCJE-SNVBAGLBSA-N 315.337 -0.407 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C 1107039494 UMAGKNRTNWQYPQ-HUUCEWRRSA-N 322.453 -0.240 30 20 DBED CCN(CCC#N)C(=O)CN1CCO[C@@](C)(CNC(C)=O)C1 1107664231 JMJIWFAEQZFLRE-HNNXBMFYSA-N 310.398 -0.024 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@]1(C)CN(CC2CC2)CCO1 1107884452 HSUVQODNQQGDTA-INIZCTEOSA-N 307.394 -0.257 30 20 DBED CC(C)C#CC(=O)NC[C@]1(C)CN(Cc2nnnn2C)CCO1 1107927631 YATKJEVOBGOJLT-OAHLLOKOSA-N 320.397 -0.423 30 20 DBED C[C@H](CN=c1cc[nH]cc1C#N)NC(=O)[C@@H]1CCCNC1=O 1107989929 HLAZNLLKZQSXKL-ZYHUDNBSSA-N 301.350 -0.182 30 20 DBED CCn1nc(C)c(C(=O)NC[C@@]2(C)CN(CC#N)CCO2)n1 1108443338 KTTZFXLUFRGNNT-AWEZNQCLSA-N 306.370 -0.049 30 20 DBED C#CCN1CCN(C(=O)COCC=C)[C@@H]2CS(=O)(=O)C[C@@H]21 1108465636 SUQKDXHJSLJWGY-QWHCGFSZSA-N 312.391 -0.868 30 20 DBED N#CCN1CCN(C(=O)CCC(F)F)[C@@H]2CS(=O)(=O)C[C@@H]21 1108476206 IQYBQRBNGMXRJW-VHSXEESVSA-N 321.349 -0.135 30 20 DBED N#CCSCC(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1 1108511342 QGIRBMDBFPASCV-JTQLQIEISA-N 307.379 -0.832 30 20 DBED Cc1cc(=NC[C@H](C)NC(=O)C2(C(N)=O)CC2)c(C#N)c[nH]1 1108684054 ABTITMNGZJLOAX-JTQLQIEISA-N 301.350 -0.134 30 20 DBED CNC(=O)NCC(=O)N[C@@H](C)CNc1nc(C)cc(C#N)n1 1108755499 BLDQVOIRVAWKOH-VIFPVBQESA-N 305.342 -0.498 30 20 DBED C#CCNC(=O)CC(=O)NCC1(Nc2nccnc2F)CC1 1110105907 VPQKEZWZMAEPBZ-UHFFFAOYSA-N 305.313 -0.184 30 20 DBED N#Cc1ccc(NC2(CNC(=O)C(=O)NCC(F)F)CC2)nn1 1110276202 RYUNGLXCVNFNCR-UHFFFAOYSA-N 324.291 -0.210 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H]1COCCO1 1110306368 LMLWYTBHFZGLJF-APIJFGDWSA-N 308.378 -0.227 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NC(N)=O 1110496124 VQAFQCNVIFKORO-YYHMBLRTSA-N 324.381 -0.770 30 20 DBED C#CCNC(=O)CC(=O)N[C@]1(C)CCN(c2nccnc2F)C1 1110742158 XDVVRWVRQDILEG-OAHLLOKOSA-N 319.340 -0.160 30 20 DBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@]1(F)CCOC1 1110941180 STSDZWQOZKOKIE-MCYUEQNJSA-N 324.356 -0.524 30 20 DBED CCOCC(=O)NC[C@]1(O)CCN(c2nc(C)cc(C#N)n2)C1 1111023050 UUCWQAODSMCVGJ-OAHLLOKOSA-N 319.365 -0.249 30 20 DBED N#Cc1ccc(N2CC[C@](O)(CNC(=O)c3nc[nH]n3)C2)cn1 1111088713 DWFGIAZCBFHGJL-AWEZNQCLSA-N 313.321 -0.557 30 20 DBED CNC(=O)CC(=O)N1C[C@H](C)[C@H](CNc2cncc(C#N)n2)C1 1111240603 DTDRSJJDEZHMSV-WDEREUQCSA-N 316.365 -0.009 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@@H](CNC(=O)C#CC3CC3)C2)nn1 1112719365 AEUXFMQKSJYCHJ-GXTWGEPZSA-N 311.345 -0.325 30 20 DBED C=C(Cl)CN1CCN(C(=O)CCNS(C)(=O)=O)CC1 1112912815 XHFPAJXOGNZPRQ-UHFFFAOYSA-N 309.819 -0.178 30 20 DBED CN(CC(C)(C)CNc1cncc(C#N)n1)C(=O)CNC(N)=O 1113397102 FVZNEOGCRVWOSA-UHFFFAOYSA-N 319.369 -0.087 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)c3ccccc3O)[C@@H]2C1 1113867182 KWSOZYUWQTVCSD-CHWSQXEVSA-N 313.357 -0.198 30 20 DBED CC(C)C#CC(=O)N[C@H]1[C@@H]2CN([C@H](C)c3nnnn3C)C[C@@H]21 1114247884 QIGJKZTUEUBURZ-NMKXLXIOSA-N 302.382 -0.023 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)[C@H]3OCC[C@H]3CC)[C@H]2C1 1114425819 GQOPZSXFDAWHMD-DVZHBHJUSA-N 319.405 -0.403 30 20 DBED C=CCCN1C[C@@H]2C(NC(=O)CCCS(N)(=O)=O)[C@H]2C1 1114755830 QTAOWYHXXSVKQB-QWRGUYRKSA-N 301.412 -0.322 30 20 DBED CC(C)[C@H](C(=O)NC1[C@H]2CN(CC(=O)NCC#N)C[C@H]12)N(C)C 1114799335 VJBVHVAIOQHSIK-SLEUVZQESA-N 321.425 -0.741 30 20 DBED CN(C(=O)CC(N)=O)[C@@H](CN=c1cc[nH]cc1C#N)C1CC1 1115486454 KQGFNIHCLRZFBB-ZDUSSCGKSA-N 301.350 -0.101 30 20 DBED C=C(C)CNC(=O)C(=O)Nc1cccc(C(=O)NCC(N)=O)c1 1116670703 AKZBTTREKWGVCU-UHFFFAOYSA-N 318.333 -0.468 30 20 DBED CN(CCN1CCOCC1)C(=O)C(=O)N1CC[C@@](F)(C#N)C1 1117950601 MQUQPQUYWUYZGV-CQSZACIVSA-N 312.345 -0.759 30 20 DBED N#Cc1cccc(NC(=O)C(=O)NC[C@@H](O)C(F)(F)F)n1 1118202704 BNQQCXOUSDCZJQ-SSDOTTSWSA-N 302.212 -0.069 30 20 DBED C=CCOCCNC(=O)C(=O)N1CCOC2(CCOCC2)C1 1118442829 DLICPWZFQDTMAH-UHFFFAOYSA-N 312.366 -0.287 30 20 DBED CCc1nc(C#N)cc(N[C@H](CO)CNC(=O)[C@@H](C)C#N)n1 1121213113 MIBFLDFLAUSGOU-ONGXEEELSA-N 302.338 -0.041 30 20 DBED Cc1[nH]nc(C(=O)NC[C@H](CO)Nc2cncc(C#N)n2)c1C 1121248460 BTYLXHAOIWUETM-LLVKDONJSA-N 315.337 -0.109 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@H](CO)Nc1ccc(C#N)nn1 1121405132 LEVIHJYNBDUMMD-RISCZKNCSA-N 305.338 -0.436 30 20 DBED CO[C@@H](C(=O)NC[C@@H](CO)Nc1cnc(C#N)cn1)C(C)C 1122445482 QAPYOWWGYMHIFP-WCQYABFASA-N 307.354 -0.092 30 20 DBED C[C@H](NC(N)=O)C(=O)N(C)C[C@@H](O)CNc1ccc(C#N)nc1 1124262299 LTPJLEDHSRUXRL-CABZTGNLSA-N 320.353 -0.759 30 20 DBED C[C@@H](C#N)C(=O)NCCNCC(=O)N1CCOC[C@@H]1C1CC1 1124895336 GHCGXCQNFFJKDL-WCQYABFASA-N 308.382 -0.511 30 20 DBED C[C@@H](C#N)C(=O)NCCNCCNS(=O)(=O)c1ccccc1 1124902618 KYLGZYFNFXALOL-LBPRGKRZSA-N 324.406 -0.170 30 20 DBED CN(C[C@@H](O)CN(C)c1cncc(C#N)n1)C(=O)[C@H]1CCOC1 1124993661 CVKFUUGKYFVJPJ-AAEUAGOBSA-N 319.365 -0.360 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C[C@H](O)CN(C)c1cc(F)ncn1 1125161608 LVXDOZQVYMDABV-NWDGAFQWSA-N 324.356 -0.091 30 20 DBED C[C@H](CNCCNC(=O)c1cc(C#N)c[nH]1)CS(C)(=O)=O 1125370010 FZXUGNPTJKNZTD-SNVBAGLBSA-N 312.395 -0.114 30 20 DBED C#CCNC(=O)CC(=O)NCCNCCO[C@H]1CC1(F)F 1125998064 JKCCJTNTAQSILK-JTQLQIEISA-N 303.309 -0.744 30 20 DBED C#CCO[C@@H](C)C(=O)NCCNCCNC(=O)NC(C)(C)C 1127046805 UUWZWEVJMUSPRU-LBPRGKRZSA-N 312.414 -0.172 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(C[C@H](C)O)C[C@@H]1n1ccnn1 1128939441 QVUKCERZZQZQOD-MJBXVCDLSA-N 305.382 -0.196 30 20 DBED CC#CCN[C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@@H]1n1ccnn1 1129686097 WSAQCTSYUDFEEU-KFWWJZLASA-N 316.409 -0.263 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCNCc1nc(C2CC2)n[nH]1 1129770598 JQIRGMVGXYMZJX-ZDUSSCGKSA-N 316.409 -0.015 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)c1cn(C)nc1CC 1130016858 LEOXARJFMBSTRK-NSHDSACASA-N 307.398 -0.007 30 20 DBED C=CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)c1ncn(C)n1 1134303202 PIVVIEKETNDMBS-WDEREUQCSA-N 308.386 -0.396 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)Cn1cncc1C 1135028890 JWPHJBOBHUEAJL-CHWSQXEVSA-N 319.409 -0.186 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)c1cnc(O)n1C 1135188650 NOKAIBSHFQXILX-QWRGUYRKSA-N 321.381 -0.638 30 20 DBED CC#CCN[C@H](C)C[C@@H](C)NC(=O)CCCS(N)(=O)=O 1135326650 YXHQVDJTHODDKA-VXGBXAGGSA-N 303.428 -0.049 30 20 DBED C[C@@H](C[C@H](C)NC(=O)CN1CCCC1)NCC(=O)NCC#N 1146336308 ATKJSDBJZFVJQJ-STQMWFEESA-N 309.414 -0.405 30 20 DBED N#CCNC(=O)CN1CCC2(C1)CN(C(=O)c1cncs1)C2 1147079258 BXGSZARRWRLXDS-UHFFFAOYSA-N 319.390 -0.069 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)C1=CCOCC1)C2 1147380880 BCOBURKIPYKNAZ-UHFFFAOYSA-N 317.389 -0.383 30 20 DBED CC#CCN1CCC2(C1)CN(C(=O)CCNC(=O)COC)C2 1147683054 XRBOSIDNJYDULB-UHFFFAOYSA-N 307.394 -0.303 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)CNC(=O)C(C)(C)C)C1 1150698762 AVHBOTFHJQXNBW-ZDUSSCGKSA-N 309.410 -0.011 30 20 DBED COCCC1(NC(=O)Cn2ncnn2)CCN(CC#N)CC1 1151137609 DNIXRMZJHDYRPN-UHFFFAOYSA-N 307.358 -0.816 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)CCCN1CCCC1 1152237847 YDNLTSMBXTUIQW-CQSZACIVSA-N 308.426 -0.294 30 20 DBED C#CCNC(=O)CC(=O)NCCC1(CNCC(=O)N(C)C)CC1 1164182234 DMCFCDJSFHMQOQ-UHFFFAOYSA-N 322.409 -0.910 30 20 DBED C[C@@]1(C(=O)NCCC2(CNCC(=O)NCC#N)CC2)CCOC1 1167532077 GTTTZWMVSXCVKT-OAHLLOKOSA-N 322.409 -0.071 30 20 DBED N#CCNC(=O)CNCC1(CCNC(=O)CCCC(N)=O)CC1 1168507636 GAWYLUAHIBOVRY-UHFFFAOYSA-N 323.397 -0.842 30 20 DBED C[C@H](CCCCNCC(=O)NCC#N)NC(=O)Cc1cnc[nH]1 1175479037 OAUZZKJWKZFJIL-GFCCVEGCSA-N 320.397 -0.143 30 20 DBED C[C@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)Cc1cncn1C 1179925509 PJEIKYZOTNUNQP-AAEUAGOBSA-N 318.381 -0.819 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)Cn2cccn2)C1 1180959427 WVHSQPLBVWOWPS-QWHCGFSZSA-N 305.382 -0.236 30 20 DBED Cc1cnn(CC(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)c1 1181326442 UQVSFLWPDYBLID-GFCCVEGCSA-N 304.354 -0.978 30 20 DBED CC#CCNC[C@H]1CCN(C(=O)CS(=O)(=O)NC)C[C@H]1C 1185718366 IYPQCCNSFPEZFA-CHWSQXEVSA-N 315.439 -0.367 30 20 DBED CC#CCN[C@@H]1CCN(C(=O)[C@@H](NC(=O)COC)C(C)C)C1 1186171190 PVOKZGNULRBQBI-HIFRSBDPSA-N 309.410 -0.013 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)CN(C)C(C)=O)C1 1188982336 IHJORARDHHVKOY-CYBMUJFWSA-N 310.398 -0.700 30 20 DBED C=CCN(CC=C)C(=O)CN(C)[C@@H]1CCN(C(=O)CC(N)=O)C1 1189480536 NAQWRCYFRNTOLU-CYBMUJFWSA-N 322.409 -0.405 30 20 DBED CC(C)NC(=O)NCCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)C#N)C1 1191873042 QZSOBRZQNFXEDW-QJPTWQEYSA-N 311.386 -0.985 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2cccnn2)C1 1192998188 GRPQHBOIARBALJ-LBPRGKRZSA-N 303.366 -0.075 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 1194027237 QCGSMDNHKJJYMB-CQSZACIVSA-N 308.426 -0.083 30 20 DBED C#CCO[C@H](C)C(=O)N1CCCN(Cc2cnn(C)n2)CC1 1195792474 TWXAMTOSYQDNHO-CYBMUJFWSA-N 305.382 -0.112 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 1196284013 OMNBPDXGROLEIT-RYPNDVFKSA-N 308.378 -0.635 30 20 DBED Cc1ccn(CC(=O)N2CCCN(CC(=O)NCC#N)CC2)n1 1197181385 WIVIHGJLRZDLQI-UHFFFAOYSA-N 318.381 -0.634 30 20 DBED CN1CC[C@H](C(=O)N2CCCN(CC(=O)NCC#N)CC2)C1 1198097784 HNZIRMOHPHXCBT-ZDUSSCGKSA-N 307.398 -0.888 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)CNC(=O)Cc2ccccc2)C1 1198401341 VZVQHTZADWPVDL-HUUCEWRRSA-N 317.389 -0.307 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)[C@H]2C[C@@H]2C(=O)OC)CC1 1199666796 BPMBUFVSRYAZGR-STQMWFEESA-N 321.377 -0.875 30 20 DBED COCC#CCNC1CCN(C(=O)CN2CCOCC2)CC1 1200111136 NCAWAEGWIKULFF-UHFFFAOYSA-N 309.410 -0.451 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)c2ncccc2O)CC1 1200178041 CVFXVIFFMQCZFK-UHFFFAOYSA-N 316.361 -0.269 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)c2cnnn2C)CC1 1200341429 ROWSMYFMAXJLKI-UHFFFAOYSA-N 306.370 -0.689 30 20 DBED CN(C)[C@@H](C(=O)N1CCC(NCC(=O)NCC#N)CC1)C1CC1 1201053526 RPRHKEVCDPAFNM-OAHLLOKOSA-N 321.425 -0.453 30 20 DBED N#CCNC[C@@H]1CN(C(=O)C(=O)NCC(F)(F)F)CCCO1 1201740506 KAIHDFRMKSNUSK-SECBINFHSA-N 322.287 -0.604 30 20 DBED C#CCCNC1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)CC1 1202737911 LBIAJKLLIJPLHR-UHFFFAOYSA-N 318.377 -0.699 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCCN2C(C)C)C1 1219599890 VZDPZPUBPUVBHP-OAGGEKHMSA-N 323.437 -0.330 30 20 DBED CC(=O)N1CCN(C(=O)C(=O)N2CC[C@@](F)(C#N)C2)[C@@H](C)C1 1261328423 GBKCFJBYEKKHQQ-IINYFYTJSA-N 310.329 -0.470 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@H](NC(=O)Cn2cncc2C)C1 1265295155 QUQPTNIFXLHCDO-KGLIPLIRSA-N 317.393 -0.480 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)CN1C(=O)CCC1=O 1317758328 BVKGIPHGYDNPTP-MRVPVSSYSA-N 311.294 -0.921 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N1CCC(NC(N)=O)CC1 1320017337 LQTOUYCIDQFDGH-UHFFFAOYSA-N 318.399 -0.571 30 20 DBED CCOC(=O)CON=C(C(=O)Nn1cnnc1)c1cc[nH]n1 1320987192 OXUGKGZNTOWBCX-UHFFFAOYSA-N 307.270 -0.945 30 20 DBED C#CCOCCNC(=O)C(=O)N1CC[C@@H](CN(C)CC2CC2)C1 1323699833 YLAFQZSJTFHGGT-HNNXBMFYSA-N 321.421 -0.057 30 20 DBED C#CCNC(=O)C1CCN(C(=O)CCN2CCOC2=O)CC1 1325264430 NOJQVJVNISLUJY-UHFFFAOYSA-N 307.350 -0.183 30 20 DBED C#CCSCCNC(=O)C(=O)N(C[C@@H](C)O)[C@@H](C)CO 1326868902 FDSQYZRWJJSAGV-WDEREUQCSA-N 302.396 -0.941 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)C(=O)NCCc2nccs2)C1 1326870324 VDULIDZSVLDLNT-CYBMUJFWSA-N 308.363 -0.321 30 20 DBED C#CCN(CC1CC1)C(=O)NCc1nnc2c(=O)[nH]ccn12 1330953048 XKYGXOLKWIQLKJ-UHFFFAOYSA-N 300.322 -0.028 30 20 DBED COCC1=CCN(C(=O)C(=O)N2CCN(CCC#N)CC2)CC1 1335613651 LODDFMBLGZZJCI-UHFFFAOYSA-N 320.393 -0.151 30 20 DBED C#CCNC(=O)CCN[C@@H](c1cnn(C)c1)c1noc(C)n1 1338547807 BGHVXLLLYBRGRS-ZDUSSCGKSA-N 302.338 -0.070 30 20 DBED CC#CC[C@@H](CO)NC(=O)C(=O)Nc1ccn(CCN(C)C)n1 1349156662 XECGQBLMHKMTGX-LBPRGKRZSA-N 321.381 -0.726 30 20 DBED COC[C@H]1C[C@@H](O)CN1C(=O)C(=O)Nc1cccc(C#N)n1 1349570724 VWMIGZMQUHFXKV-GHMZBOCLSA-N 304.306 -0.500 30 20 DBED CO[C@H]1CCC[C@H]1CNC(=O)Cn1cc(C#N)c(O)nc1=O 1362284153 IORGFRFZBALJBR-ONGXEEELSA-N 306.322 -0.248 30 20 DBED N#Cc1ncn(CC(=O)NC[C@@H]2COC3(CCOCC3)O2)n1 1362290721 BCRLVEGRYUBNTG-SNVBAGLBSA-N 307.310 -0.812 30 20 DBED COC[C@@H]1CCCN1C(=O)CCn1cc(C#N)c(O)nc1=O 1362776618 LLEADHSQRZVLJP-NSHDSACASA-N 306.322 -0.152 30 20 DBED CC[C@@H](CNS(C)(=O)=O)NC(=O)C1(C#N)CCOCC1 1363266717 RQZDIDCGPWHNQI-JTQLQIEISA-N 303.384 -0.249 30 20 DBED CCN(CCC#N)C(=O)CN[C@@H]1C[C@@H](C)N(C(=O)COC)C1 1369401315 IRYHZFUSKUYHDU-CHWSQXEVSA-N 310.398 -0.026 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CCN(C(=O)C(C)(C)S(C)(=O)=O)C1 1372053085 WNUBJLGMQUZBBF-VHSXEESVSA-N 315.395 -0.314 30 20 DBED C[C@H](C#N)C(=O)N1CCN(CCN(C)C(=O)c2cn[nH]c2)CC1 1374485074 OXSSWTVUEBCUQF-GFCCVEGCSA-N 318.381 -0.214 30 20 DBED CCCn1ncnc1CN1CC(O)(CNC(=O)[C@H](C)C#N)C1 1380582834 XEZXPWBZICIRME-LLVKDONJSA-N 306.370 -0.489 30 20 DBED CCN(C(=O)[C@@H](C)C#N)[C@H](C)CNC(=O)CS(=O)(=O)NC 1384603257 IWAWEFFTHYNUFO-VHSXEESVSA-N 318.399 -0.952 30 20 DBED COC[C@@H](OC)C(=O)N[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 1386052192 HGJSDKGVQZMQBZ-WCQYABFASA-N 320.349 -0.122 30 20 DBED COC[C@@H](O)CN1CCN(CCN(C)C(=O)[C@@H](C)C#N)CC1 1391331499 GSLAJSIPTYAXFU-KBPBESRZSA-N 312.414 -0.771 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)c2cncnc2)C1 1394635365 SMUCZSVNWKEGHD-HZMBPMFUSA-N 303.322 -0.671 30 20 DBED CC(=O)NCC(=O)N1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)C[C@H]1C 1395874727 XPEGBECMCOFOSW-SKDRFNHKSA-N 317.349 -0.258 30 20 DBED CCCNC(=O)CN(CCO)C1CCN(C(=O)[C@@H](C)C#N)CC1 1397282190 JUHABEMNKGKMKE-ZDUSSCGKSA-N 324.425 -0.042 30 20 DBED COC(=O)CN(CC(=O)OC)S(=O)(=O)CC(C)(C)C#N 1414211183 JKJKGMWBFNDYSU-UHFFFAOYSA-N 306.340 -0.486 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N[C@@H](CCO)C(F)(F)F)CCO1 1414342092 BHAWYHHPSDDRRF-SFYZADRCSA-N 317.289 -0.642 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)Cn1cc(Cl)cn1 1416757061 JCPALKOXWOEJDA-SCZZXKLOSA-N 313.745 -0.711 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CNC(=O)C1CC1 1432498348 GELSBQNARHHIQC-DLOVCJGASA-N 304.350 -0.516 30 20 DBED C=C(Cl)CNC[C@@H](O)CN(C)C(=O)CCc1nc[nH]n1 1449105236 ARBXWXKSDNKFST-SNVBAGLBSA-N 301.778 -0.101 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)[C@H]2CCC(=O)N2)CCCC1 1457036727 MINGMSOIMFCDJR-WDEREUQCSA-N 306.366 -0.030 30 20 DBED C[C@H]1CN(C(=O)CCn2cc(C#N)c(O)nc2=O)[C@H](C)CO1 1464073089 KYIVZEHPJLBIQD-ZJUUUORDSA-N 306.322 -0.154 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@@H](O)CNC(=O)[C@@H]2CC2(F)F)c1 1501478769 AWMOSLZCFUQXAT-IUCAKERBSA-N 312.276 -0.252 30 20 DBED CCOc1ncccc1C(=O)NC[C@@H](O)CNC(=O)[C@@H](C)C#N 1501605471 MNYHBTDHKQZYRM-QWRGUYRKSA-N 320.349 -0.153 30 20 DBED C#CCOCCN(C)C(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1 1521017689 CHZPAGUONUBRED-ZDUSSCGKSA-N 323.374 -0.175 30 20 DBED C[C@H](CCNC(=O)c1cc(C#N)c[nH]1)NC(=O)Cn1cncn1 1527507436 DRJVMASZQMDAMQ-SNVBAGLBSA-N 315.337 -0.197 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCN(C)C(=O)CCn1cnccc1=O 1533040419 ITAWONUXOAYWHP-LBPRGKRZSA-N 319.365 -0.290 30 20 DBED C#Cc1cncc(C(=O)N(C)CCNC(=O)[C@H]2C[C@@H]2C(=O)O)c1 1573313871 SKYCTJGWYITNHK-STQMWFEESA-N 315.329 -0.028 30 20 DBED C=CCCOCC(=O)N1C[C@H]2C[C@H]1[C@H]2NC(=O)CNC(=O)O 1573360724 WNVAWXXIYCPIGE-NRUUGDAUSA-N 311.338 -0.438 30 20 DBED C#C[C@H](NS(=O)(=O)c1n[nH]c(C)c1C(=O)O)[C@H]1CCCO1 1588377146 JAXJPUNDADQVLB-DTWKUNHWSA-N 313.335 -0.125 30 20 DBED C#CC1(O)CCN(S(=O)(=O)c2cc(C(=O)O)cn2C)CC1 1588379992 WSQXWMUNFZFWIM-UHFFFAOYSA-N 312.347 -0.128 30 20 DBED C=C(C)CN(CC)C(=O)CN1CCS(=O)(=O)C[C@H]1C(=O)O 1588440066 MJQWIVSBBKSKBT-NSHDSACASA-N 318.395 -0.405 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)[C@@H]2C[C@H]2C(=O)O)CC1 1588483553 AFVYFNDUSDJNLB-VXGBXAGGSA-N 307.350 -0.963 30 20 DBED CCOC(=O)[C@@H](CC)C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[nH]1 1590750538 BEAOBDGWYMATHT-LURJTMIESA-N 318.297 -0.011 30 20 DBED N#CC[C@@H](O)CN1CC[C@H](Oc2ccc(-c3nn[nH]n3)cn2)C1 1592681719 GWQSSPJPMNOVGC-NEPJUHHUSA-N 315.337 -0.011 30 20 DBED COC[C@]1(C(=O)O)CN(C(=O)c2ccc(C#N)nc2)CCO1 1593981060 WXYNTFXBIGBFQP-AWEZNQCLSA-N 305.290 -0.105 30 20 DBED N#Cc1ccc(CNC(=O)[C@H]2CCCN(CC(=O)O)C2=O)nc1 1594620561 LTDFYTLLRMBGIM-GFCCVEGCSA-N 316.317 -0.107 30 20 DBED C#CCN(CC#N)CC(=O)NCc1ccc(-c2nn[nH]n2)cc1 1602720385 WDLPABGBIAJZGK-UHFFFAOYSA-N 309.333 -0.058 30 20 DBED C=C[C@@H]1OCC[C@H]1NC(=O)N1CCO[C@](COC)(C(=O)O)C1 1602730979 PBGKDNKHLDNACD-UHIISALHSA-N 314.338 -0.159 30 20 DBED C[C@@H](C(=O)OCC1(C#N)COC1)n1cnc(-c2nn[nH]n2)n1 1603033412 YAIYFDVGICMVRC-ZETCQYMHSA-N 304.270 -0.897 30 20 DBED N#Cc1ccc(C(=O)N2CCS(=O)(=O)C[C@H]2CC(=O)O)[nH]1 1608199095 RLELWDLQYCYICM-SECBINFHSA-N 311.319 -0.400 30 20 DBED N#Cc1cccc([C@@H](C(=O)O)N2CCN(S(N)(=O)=O)CC2)c1 1608215900 TYKGBWCILCYMAA-LBPRGKRZSA-N 324.362 -0.495 30 20 DBED C[C@@H](C(=O)NCC(=O)O)N1CCN(c2cccc(C#N)n2)CC1 1609634348 CPEMKVXZFUFCLC-NSHDSACASA-N 317.349 -0.335 30 20 DBED C[C@H](OC(=O)Cn1cc(C(=O)O)nn1)C(=O)N(C)CCC#N 1609799999 RCUCPVPAFRZWNK-QMMMGPOBSA-N 309.282 -0.720 30 20 DBED CC#CCN[C@H](CNC(=O)CCn1cc[nH]c(=O)c1=O)C1CC1 1752491351 RVAWVGULMGBPKF-CYBMUJFWSA-N 318.377 -0.566 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@@H]1CCN(C(=O)CCOCC)C1 1752932325 JWRCXFZEFBBQFW-KBPBESRZSA-N 309.410 -0.011 30 20 DBED C#CCNC[C@H]1CCN(C(=O)CCc2nnc(O)nc2O)C1 1752943208 JEQWASGHFUUVAZ-SNVBAGLBSA-N 305.338 -0.713 30 20 DBED COCCS(=O)(=O)CC(=O)N[C@@H]1CCC[C@H](NCC#N)C1 1752971304 LAPUXUUOYAIVKJ-NWDGAFQWSA-N 317.411 -0.412 30 20 DBED COc1cc(C(=O)NC[C@@H]2CCCN2CC(=O)NCC#N)on1 1753101560 SSGWFOFHDKWPIA-JTQLQIEISA-N 321.337 -0.483 30 20 DBED C#CCNC(=O)CN(C)C[C@@H]1CCN(C(=O)[C@H](C)OCC#C)C1 1753349938 YXGZPWOMBBEUAH-GJZGRUSLSA-N 319.405 -0.446 30 20 DBED CC#CCNC[C@H](O)CNC(=O)[C@@H](C)NC(=O)C1CCCC1 1753919819 JEZLQAFQMGGPSB-OCCSQVGLSA-N 309.410 -0.229 30 20 DBED C#CCNC(=O)CNCC[C@@H](C)NC(=O)[C@H](C)c1cnn(C)c1 1754029244 RCBUXRLYKKJTCJ-CHWSQXEVSA-N 319.409 -0.243 30 20 DBED N#CCNC(=O)CNC[C@@H]1CCCN1C(=O)Cc1cncs1 1754612518 XDTUSLZEYRFRQX-NSHDSACASA-N 321.406 -0.094 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H](CNCC(N)=O)C1CCCC1 1754649929 LUBTYCMMFUKMGI-GJZGRUSLSA-N 320.437 -0.166 30 20 DBED C=C[C@](C)(CCOC)C(=O)NCC1(O)CN([C@H](C)C(N)=O)C1 1754771006 IXIOCTXHGLLWJE-BXUZGUMPSA-N 313.398 -0.748 30 20 DBED C#CCCN1CC(O)(CNC(=O)COCc2nc(CC)no2)C1 1754778196 RAMRQVNCOQMIMT-UHFFFAOYSA-N 322.365 -0.665 30 20 DBED N#Cc1c[nH]c(C(=O)N(CCO)CCNCc2nncs2)c1 1754879305 IDOSYXDYEXEVOQ-UHFFFAOYSA-N 320.378 -0.038 30 20 DBED C#CCNC(=O)CNCC[C@@H]1CCN(C(=O)[C@H](OC)C2CC2)C1 1754912375 FAMACYSYNDLJOK-CZUORRHYSA-N 321.421 -0.011 30 20 DBED CC(C)C#CC(=O)NCC1(NCCNS(C)(=O)=O)CCC1 1754979959 KNNJVMGDZWESDZ-UHFFFAOYSA-N 315.439 -0.177 30 20 DBED COCC#CCN1CC2(C[C@@H](NC(=O)[C@@]34COC[C@@H]3C4)CO2)C1 1755061667 NMUPNQCEOQTSDS-VBQJREDUSA-N 320.389 -0.368 30 20 DBED C=CCCN1CC[C@H](NC(=O)CNS(=O)(=O)NC)C[C@H]1C 1755162754 YUFIRPCSPOUSGM-NEPJUHHUSA-N 318.443 -0.415 30 20 DBED C=CCNC(=O)CN1CC(CCO)(NC(=O)C(C)(C)F)C1 1755330772 YZPRSJAXZQENNW-UHFFFAOYSA-N 301.362 -0.410 30 20 DBED COCC#CCNC[C@H](C1CC1)N(C)C(=O)CCn1cnnn1 1755569728 YVBOMPHWBZYTPV-CQSZACIVSA-N 320.397 -0.460 30 20 DBED COCC#CCN[C@H](CO)CNC(=O)[C@@H]1Cc2cccnc2C1 1755645219 NVIYVGSCPHWQAP-CABCVRRESA-N 317.389 -0.487 30 20 DBED C=C(C)CN[C@H](CO)CNC(=O)c1nc2nc(C)cc(C)n2n1 1755646564 SMKXVXFLKYYHGU-LBPRGKRZSA-N 318.381 -0.002 30 20 DBED Cc1cc(C(=O)N2C[C@H](NCC(=O)NCC#N)C[C@H]2C)on1 1755671306 XNHUZCDBRFFPKF-GHMZBOCLSA-N 305.338 -0.185 30 20 DBED Cc1nnc(O)c(C(=O)N(C)C[C@H](O)CN(C)CC#N)c1C 1755803705 AOENCFCSONUYKN-LLVKDONJSA-N 307.354 -0.313 30 20 DBED COCC#CCNC1CC(N(C)C(=O)[C@@H]2CCN(C)C2=O)C1 1755859695 CYMMGBOBUFFHGB-JXQTWKCFSA-N 307.394 -0.307 30 20 DBED C#CCOCCC(=O)N(C)[C@@H](C)CNC(=O)[C@H]1CCNC1=O 1756054032 GUJONOMRFNBXQD-RYUDHWBXSA-N 309.366 -0.875 30 20 DBED C#CCOCCC(=O)N(C)C[C@H](C)NC(=O)c1cnn(C)c1N 1756453739 UPVIZXMACDVIJY-NSHDSACASA-N 321.381 -0.381 30 20 DBED N#CCSCC(=O)NC[C@H](CO)NC(=O)c1ccnc(O)c1 1756504217 YNQGNNWCGPANBF-SNVBAGLBSA-N 324.362 -0.749 30 20 DBED C[C@@H](C#N)C(=O)N1CC=C(CNC(=O)Cn2cnnn2)CC1 1756756695 CVDRMPIKCFSHAR-JTQLQIEISA-N 303.326 -0.892 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1=CCN(C(=O)CC(=O)NC)CC1 1756766788 NZWBXFYARZPQKX-INIZCTEOSA-N 323.393 -0.276 30 20 DBED COC(=O)Cn1cc(C(=O)/C=C/c2cn(CC(=O)O)nn2)nn1 1777109837 UQWWSGDXVICBPP-NSCUHMNNSA-N 320.265 -0.977 30 20 DBED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnsn3)C[C@@H]21 1790788738 JBVILCHYYSEUSQ-NHCYSSNCSA-N 320.374 -0.235 30 20 DBED N#Cc1ccc(NC(=O)C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 48589235 LFHBHZIPJYHUIU-NSHDSACASA-N 307.331 -0.200 30 20 DBED C#CCOc1ccc(CN2CCN3C(=O)C(=O)NC[C@H]3C2)cc1 91866524 WQZKYQQBCSREKG-AWEZNQCLSA-N 313.357 -0.159 30 20 DBED N#CCN1CCN(C(=O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)CC1 152668461 HDLBLXPCNYSTPJ-BETUJISGSA-N 318.377 -0.171 30 20 DBED CC(=O)N[C@H](C)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 160960995 YKVYZXPMFIVCBG-GHMZBOCLSA-N 316.365 -0.090 30 20 DBED N#Cc1ccc(NC(=O)C(=O)N2CCN(CCO)CC2)cc1 170372262 QGXZRZFNMJJHRL-UHFFFAOYSA-N 302.334 -0.367 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)c2cc(CC)n[nH]2)CC1 264892582 KEIKMVXQSQRYDD-UHFFFAOYSA-N 317.393 -0.131 30 20 DBED CCn1cc(C#N)c(=O)n(Cc2cc(=O)c(OC)co2)c1=O 267939603 HDMJZNFYUQMDKN-UHFFFAOYSA-N 303.274 -0.088 30 20 DBED C=CCNC(=O)CNC(=O)N(CC)[C@@H](C)CS(C)(=O)=O 272032996 UQGVVBORMQBRBY-JTQLQIEISA-N 305.400 -0.247 30 20 DBED CCN1CCN(C(=O)CNC(=O)c2ccc(C#N)cc2)CC1=O 273597035 WUCTYWGUNZALNR-UHFFFAOYSA-N 314.345 -0.021 30 20 DBED C#CCCS(=O)(=O)NCCc1ccc(S(N)(=O)=O)cc1 279506103 QWFDZFHQNVELDF-UHFFFAOYSA-N 316.404 -0.181 30 20 DBED C=CCN1CC[C@@H](N(C)CC(=O)N2CCN(C(C)=O)CC2)C1=O 281455799 UZOBWXKEPXBFHV-CQSZACIVSA-N 322.409 -0.604 30 20 DBED CCNC(=O)NCCNC(=O)CNC(=O)c1ccc(C#N)cc1 294203828 XMPOSOHTKNVABO-UHFFFAOYSA-N 317.349 -0.277 30 20 DBED Cc1nc2c(c(C)c1CC(=O)NCC#CCO)c(=O)[nH]n2C 294271621 OLOPGUYFGMAQOH-UHFFFAOYSA-N 302.334 -0.467 30 20 DBED C=C(C)Cn1c(C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 328747986 LVTFWAXRVIWJIV-NSHDSACASA-N 304.354 -0.690 30 20 DBED C[C@@H]1OCC[C@@H]1/N=C(/O)N(C)C[C@@H](O)CN1CCOCC1 328951010 NMDWFGIBRPOONZ-XQQFMLRXSA-N 301.387 -0.297 30 20 DBED C[C@H](C/N=C(/O)N[C@H]1CCCS(=O)(=O)C1)N1CCOCC1 329409491 XUHAKUSLCCWIEF-NEPJUHHUSA-N 319.427 -0.212 30 20 DBED C[C@H](O)[C@H](/N=C(/O)C1CC1)C(=O)N1C[C@H]2[C@@H](C1)OCCN2C 330333103 YFTKTEMRNSDXRZ-SYEHKZFSSA-N 311.382 -0.356 30 20 DBED CNC(=O)[C@@H]1CCC[C@H]1NS(=O)(=O)N(C)[C@@H](C)CC#N 337771031 OGSUAVYLGOCGBM-HBNTYKKESA-N 302.400 -0.031 30 20 DBED CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)N(C)[C@@H](C)CC#N 337798916 FRMKOEWFGVJTLH-WDEREUQCSA-N 323.440 -0.026 30 20 DBED N#Cc1cncc(S(=O)(=O)NCCn2cnc(C#N)n2)c1 352737422 UYZZOEASFCRSRK-UHFFFAOYSA-N 303.307 -0.605 30 20 DBED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCOC[C@@H]2C)n1 359133936 BXXNGDLWTKOVDK-JTQLQIEISA-N 305.338 0.521 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCCNCCC)C1=O 419912861 XPVNYRIGYBXMNX-GFCCVEGCSA-N 310.398 -0.653 30 20 DBED C#CCN1CCN(C(=O)CN2C(=O)N[C@@H](C(C)C)C2=O)CC1 490762922 NOLBNJNQAQZZOC-ZDUSSCGKSA-N 306.366 -0.660 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@]2(C)CCCCO2)CC1 491662294 GZUUDUFBOVTEGF-INIZCTEOSA-N 307.394 -0.161 30 20 DBED CN(C)CCNC(=O)CNS(=O)(=O)c1cccc(C#N)c1 515175810 NHCZMLPTBPPKSR-UHFFFAOYSA-N 310.379 -0.486 30 20 DBED CN(CCC#N)S(=O)(=O)N1CCN(C(C)(C)C(=O)O)CC1 530143632 ZBAGXAFXYBTZGA-UHFFFAOYSA-N 318.399 -0.443 30 20 DBED C[C@H](O)C[C@@H]1COCCN1C(=O)C(=O)Nc1cccc(C#N)n1 582180281 HPDHRVNDSFZMEL-CMPLNLGQSA-N 318.333 -0.110 30 20 DBED C[C@@H](CO)[C@H]1CCCCN1c1c(C#N)c(=O)n(C)c(=O)n1C 596437251 VFFDWHFOWPYVJT-CMPLNLGQSA-N 306.366 -0.057 30 20 DBED COCCN(CCC#N)C(=O)[C@H]1CCCN(S(N)(=O)=O)C1 597135181 HYQLBUSJNTXAEF-NSHDSACASA-N 318.399 -0.709 30 20 DBED CN(C[C@H]1CCOC1)C(=O)C(=O)N1CCN(CCC#N)CC1 601473190 CESYCAIVLCJQRG-CYBMUJFWSA-N 308.382 -0.461 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CC2(C1)CS(=O)(=O)C2 603369556 LFZZCNJRTNZXHO-JTQLQIEISA-N 321.424 -0.557 30 20 DBED N#Cc1c[nH]cnc1=N[C@H]1CCCN(CCN2CCOCC2)C1 603422266 FLHWZXMHRWVCRT-HNNXBMFYSA-N 316.409 -0.021 30 20 DBED C=CCC1(NC(=O)CN2CCN(CC)C(=O)C2=O)CCOCC1 618246808 ZUQVDNHLJAWRPD-UHFFFAOYSA-N 323.393 -0.081 30 20 DBED CC#CC[C@@H](CO)NC(=O)CN(C)C(=O)[C@@H](C)n1cccn1 649189426 FJRGKCXNDNFHSH-OLZOCXBDSA-N 306.366 -0.207 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)Cn2nc(C)n(C)c2=O)C1=O 653784394 PSWDIFMPBNKWLZ-NSHDSACASA-N 307.354 -0.864 30 20 DBED C=CCNC(=O)CNC(=O)C(=O)Nc1cnn(CC2CC2)c1 679087561 VWPDTXDPCIOLCB-UHFFFAOYSA-N 305.338 -0.350 30 20 DBED CS(=O)(=O)N[C@H]1CCCN(C(=O)[C@H](N)CCCC#N)C1 691538274 BBRHUNZYVRFHCZ-WDEREUQCSA-N 302.400 -0.452 30 20 DBED C[C@@H](Oc1cccc(C=NNC(=S)NCC(N)=O)c1)C(=O)O 731929666 IFCHNJJOLCIVQT-MRVPVSSYSA-N 324.362 -0.178 30 20 DBED C#CCOCCNC(=O)N1CC[C@@H](n2cc(C(=O)OC)nn2)C1 760689855 NNAGSLXJMCKYDI-LLVKDONJSA-N 321.337 -0.329 30 20 DBED N#Cc1cccc(S(=O)(=O)NC(=O)[C@H]2CCNC(=O)C2)c1 761002321 MUUWJFCHBIMTBG-JTQLQIEISA-N 307.331 -0.111 30 20 DBED C#CCOCCNC(=O)N1C[C@@H](CO)C[C@@H](OCCOC)C1 774951388 RONJWAVGXUAVDP-UONOGXRCSA-N 314.382 -0.308 30 20 DBED C#CCNC(=O)CN(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 777939897 RXEBSAXVOVLFJJ-STQMWFEESA-N 314.407 -0.596 30 20 DBED N#CCOc1ccc(CC(=O)NCCN2CCNC(=O)C2)cc1 781209207 QUHHNWHLNXXDCB-UHFFFAOYSA-N 316.361 -0.321 30 20 DBED C[C@@H]1C(=O)N(C)S(=O)(=O)N1CC(=O)Nc1ccc(C#N)cc1 786877773 QJIMZDPLIOBQDX-SECBINFHSA-N 322.346 -0.096 30 20 DBED COC(=O)c1cc(C(=O)NS(=O)(=O)CC2(C#N)CC2)on1 793195907 HEHYQFINWWMTPK-UHFFFAOYSA-N 313.291 -0.175 30 20 DBED C#CCC[C@@H](O)CNC(=O)NCCCN(CC)S(C)(=O)=O 798383047 HMDSHAPUOFECIO-GFCCVEGCSA-N 319.427 -0.269 30 20 DBED C=CCN1CC[C@H](OC(=O)CN2CCN(CC)C(=O)C2=O)C1=O 798595546 NWFRSVZNYUZFNE-NSHDSACASA-N 323.349 -0.993 30 20 DBED COc1cc(C#N)ccc1S(=O)(=O)NC(=O)c1cn(C)nn1 808999436 CPTAWGLSABJCLX-UHFFFAOYSA-N 321.318 -0.186 30 20 DBED COC(=O)[C@@H]1[C@H]2CN(S(=O)(=O)c3cccnc3C#N)C[C@H]21 813741849 LQCUIVINUYLUKG-GDGBQDQQSA-N 307.331 -0.007 30 20 DBED C#C[C@H](NC(=O)C(=O)N1C[C@@H](C(=O)O)C[C@@H](C)C1)[C@@H]1CCCO1 817890917 BNZMLBVVMVWBQI-VOAKCMCISA-N 322.361 -0.147 30 20 DBED C[C@](C#N)(CC(=O)O)C(=O)NC1CCC(C(=O)NC(N)=O)CC1 819822279 NMFSBSHBZMXWLI-OAQUUNCKSA-N 324.337 -0.139 30 20 DBED CCOC(=O)C(=O)N1CCN(C(=O)c2ccc(C#N)n2C)CC1 825891932 YFNJGKJSWDHNCD-UHFFFAOYSA-N 318.333 -0.256 30 20 DBED C[C@H](N)CCNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 832569418 XNQKDQIENKGOGF-JTQLQIEISA-N 324.406 -0.031 30 20 DBED C#CCO[C@H](C)C(=O)NS(=O)(=O)c1ccc2nn[nH]c2c1 838913543 VBOJBNCOLCAYLG-MRVPVSSYSA-N 308.319 -0.199 30 20 DBED N#C[C@@H]1CNC[C@H]1NC(=O)CNC(=O)NCc1ccc(F)cc1 843459307 DLKBXUICNOEWTG-DGCLKSJQSA-N 319.340 -0.147 30 20 DBED Cc1nn(CC(=O)N2CCN(C3CC3)[C@H](C#N)C2)c(=O)n1C 846870979 QRIYDZOFKPFFHC-GFCCVEGCSA-N 304.354 -0.911 30 20 DBED Cc1cc(NC(=O)C(=O)N2CCCNC(=O)C2)ncc1C#N 847485276 BNLWNSSUJOYOIX-UHFFFAOYSA-N 301.306 -0.451 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N1CC[C@@H](N2CCOC2=O)C1 849437417 GQWVZXKJJBSUIM-WDEREUQCSA-N 316.383 -0.008 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H]2CC(C)=NO2)C1=O 854794523 JPDLZOYWHICQML-VIFPVBQESA-N 308.294 -0.756 30 20 DBED C#CCN1CCN(C(=O)CN2CCO[C@H](COCC)C2)CC1 859769830 JDSOLTVLLDTFGP-HNNXBMFYSA-N 309.410 -0.499 30 20 DBED Cn1ncc(S(=O)(=O)O[C@H]2CNOC2)c1Br 867257098 QVPGDTROGDBEEN-YFKPBYRVSA-N 312.145 -0.209 30 20 DBED C=CCN(CC(=O)OCC)Cc1nnc2c(=O)n(C)ccn12 878001618 WQUBOIMJJBBODO-UHFFFAOYSA-N 305.338 -0.021 30 20 DBED Cn1c(=O)c2c(ncn2CCN2CCC[C@@H](C#N)C2)n(C)c1=O 932155384 CPJYKQZZTMFMKY-NSHDSACASA-N 316.365 -0.331 30 20 DBED CN1C[C@H](C(=O)N[C@H]2CCN(C(=O)C#CC3CC3)C2)CC1=O 938088753 QXLPCZYDYUIXJO-OLZOCXBDSA-N 303.362 -0.405 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](NC(=O)Cc2nc[nH]n2)C1 938902389 IXZZPCSKVMFSNF-TUAOUCFPSA-N 319.365 -0.345 30 20 DBED N#Cc1c[nH]c(C(=O)N2CCCN(C(=O)c3cnn[nH]3)CC2)c1 940652977 LVQNYVZHSMOYLS-UHFFFAOYSA-N 313.321 -0.007 30 20 DBED Cc1c(C(=O)NC[C@H]2CN(C(=O)[C@@H](C)C#N)CCO2)nnn1C 944531695 XHUZVKWNJXBUGJ-ONGXEEELSA-N 320.353 -0.760 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CNC(=O)c2cnn(C)n2)CC1 949390566 GVRMLABOZTTXJH-JTQLQIEISA-N 304.354 -0.057 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2CCN2C(=O)c2cnnn2C)nc1 951377732 FZOSOMREQZPEEL-GFCCVEGCSA-N 324.344 -0.164 30 20 DBED CN(C(=O)c1ncn(C)n1)C1CN(C(=O)c2ccc(C#N)[nH]2)C1 954212015 RVORJTABTWHEQF-UHFFFAOYSA-N 313.321 -0.389 30 20 DBED CN(C(=O)c1c[nH]c(=O)cn1)C1CN(C(=O)C#CC2CC2)C1 955140096 HVMIAMZTOUUQCP-UHFFFAOYSA-N 300.318 -0.534 30 20 DBED CC#CCN1C[C@H](CNC(=O)c2ccnc3ccnn23)[C@@H](O)C1 958135765 SGZCGHFAVIQAHX-JSGCOSHPSA-N 313.361 -0.225 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](NC(=O)C2CS(=O)(=O)C2)[C@H](C)C1 958372334 LENFNUPEAURJEW-IQJOONFLSA-N 313.379 -0.846 30 20 DBED CN1CC[C@H](N2C[C@H]3C(NC(=O)c4ccc(C#N)[nH]4)[C@@H]3C2)C1=O 958589699 FKOWYJZEQMGVFP-WZRBSPASSA-N 313.361 -0.223 30 20 DBED C=CCCN1C[C@H](O)[C@H](CNC(=O)c2cn(C)c(=O)n2C)C1 958735630 DTFBKRPODKVKPU-YPMHNXCESA-N 308.382 -0.678 30 20 DBED CC#CCN1C[C@H]2[C@H](NC(=O)[C@H]3CN4CC5CC4(CO3)C5)[C@H]2C1 961286856 ZKOGGKGVDHISCO-GTHOZQOVSA-N 315.417 -0.081 30 20 DBED C=CCCN1C[C@@H]2C(NC(=O)c3cnc(O)n(C)c3=O)[C@H]2C1 961462843 YGDXDDRNOUVZTJ-QWRGUYRKSA-N 304.350 -0.278 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H]2CN(C(=O)Cn3cncn3)C[C@H]21 963828522 OLGKZQJLGFQZDV-RWMBFGLXSA-N 316.365 -0.113 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CCC)C[C@@H]1O 968346119 SWWPLVJBGGMSQX-RDBSUJKOSA-N 307.394 -0.428 30 20 DBED CN1CC[C@@H](N[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)C1=O 968411135 YAHKSNODOLGHEW-DGCLKSJQSA-N 301.350 -0.079 30 20 DBED N#CCN1CCCCC[C@@H]1CNC(=O)[C@H]1CCS(=O)(=O)N1 969150062 CNZMKEODRZRTPT-VXGBXAGGSA-N 314.411 -0.438 30 20 DBED C[C@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)[C@@]1(C)CNC(=O)C1)C2 969811406 MBPIKMSMDJDLEM-KZTGVZKYSA-N 318.377 -0.126 30 20 DBED COc1ncccc1C(=O)N[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1O 970299641 QQOSAQWHIJYGTQ-JLLWLGSASA-N 318.333 -0.449 30 20 DBED C=C(C)C(C)(C)C(=O)N1C[C@H](O)[C@H](NC(=O)Cn2cncn2)C1 970757993 ZZAGUSWZJCCQGC-NEPJUHHUSA-N 321.381 -0.432 30 20 DBED N#CCN1C[C@H]2CC[C@H]1CN2C(=O)CN1CCC(=O)NC1=O 971993974 IBOWSVFYCSNMQY-WDEREUQCSA-N 305.338 -0.873 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)C[C@@H]3CCN(C)C3=O)C2)C1 972425630 PPYQWOOXQDCHOQ-WMLDXEAASA-N 319.405 -0.209 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)[C@H]3CCN(C)C3=O)[C@H]2C1 977001097 KLTZMPUSUSLJMZ-JCIQBVFBSA-N 304.350 -0.803 30 20 DBED C[C@H]1[C@@H](NCC#N)CCN1C(=O)CN1C(=O)CC(C)(C)C1=O 986279365 KLCRWXAKALTFMY-QWRGUYRKSA-N 306.366 -0.126 30 20 DBED CN(CC1CCN(C(=O)C(N)=O)CC1)C(=O)c1cc(C#N)c[nH]1 988620020 QSJLQBTVNOYCGO-UHFFFAOYSA-N 317.349 -0.318 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CN(C)C(=O)c2nnn(C)n2)CC1 988627836 KGVZOSHYOMFHCF-SNVBAGLBSA-N 319.369 -0.320 30 20 DBED C=CCn1cc(C(=O)N2CC(NC(=O)[C@H]3CCCO3)C2)nn1 990168778 DLHHFLDKPMNCEQ-GFCCVEGCSA-N 305.338 -0.416 30 20 DBED C#Cc1cncc(C(=O)N2CC(NC(=O)[C@H]3CCC(=O)N3)C2)c1 990495654 PVEYXEPRAUHOSW-CYBMUJFWSA-N 312.329 -0.718 30 20 DBED C=CCCn1cc(C(=O)N2CC[C@@H](NC(C)=O)[C@H](O)C2)nn1 991176335 WAKWNHKNCVENNH-DGCLKSJQSA-N 307.354 -0.434 30 20 DBED C=CCCn1cc(C(=O)NC2CN(C(=O)[C@H](C)OC)C2)nn1 991980516 ZRBUOEKOKLMERH-JTQLQIEISA-N 307.354 -0.170 30 20 DBED C#CCN1CC[C@@]2(NC(=O)CN3CC(=O)NC3=O)CCC[C@@H]12 992341172 WZRFRUSKYLWQBB-ABAIWWIYSA-N 304.350 -0.715 30 20 DBED C#CCN[C@@H]1CCC[C@H]2CN(C(=O)CN3CC(=O)NC3=O)C[C@H]21 992865704 YYIAULGMZPFTCN-YNEHKIRRSA-N 318.377 -0.612 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CN(C(=O)Cc3nc[nH]n3)C[C@@]2(C)C1 993350863 FVFCXSDFEBESLN-RWSFTLGLSA-N 316.365 -0.186 30 20 DBED C#CCCN1CCC[C@@H](NC(=O)CN2CCOCC2=O)[C@@H]1C 993422016 LHXGZVBRZASNGP-UONOGXRCSA-N 307.394 -0.162 30 20 DBED C[C@H](C#N)C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cn1nccn1 996811183 WWGPHJZBMGYHMY-WYUUTHIRSA-N 302.338 -0.314 30 20 DBED C#Cc1ccccc1CC(=O)NC1CN(C(=O)Cn2nccn2)C1 997248301 UVDAWHDPHNVNEM-UHFFFAOYSA-N 323.356 -0.171 30 20 DBED Cc1cc(C)n(CC(=O)N2CCC[C@H](NCC#N)C2)c(=O)n1 1000554263 QKQOZYARRZEJFT-ZDUSSCGKSA-N 303.366 -0.036 30 20 DBED N#Cc1ccc(C(=O)NCC2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)[nH]1 1001483171 RZMWTKSVCSEITF-MNOVXSKESA-N 315.333 -0.804 30 20 DBED C[C@H]1C[C@@H]1C(=O)N1CCC(=O)NCCN(C(=O)[C@H](C)C#N)CC1 1001761597 QWKWSWIJCDELSZ-XQQFMLRXSA-N 320.393 -0.021 30 20 DBED C#CCN1CCC(NC(=O)[C@@H]2CCc3nnc(O)n3C2)CC1 1003187048 ZMFKTJVZXXATGU-LLVKDONJSA-N 303.366 -0.240 30 20 DBED C=CCOc1cccnc1C(=O)NCC1CN(C(=O)C(N)=O)C1 1004588057 WBWKLUWPKQHDQP-UHFFFAOYSA-N 318.333 -0.680 30 20 DBED Cc1nc(C(=O)N[C@H]2CCCN(CC#N)C2)nn1-c1nc[nH]n1 1008118656 AFJXYKYGDMSSHO-JTQLQIEISA-N 315.341 -0.588 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](NC(=O)c2c[nH]c(=O)cn2)C(C)(C)C1 1008512503 BEDLEWDRZNYMGD-KOLCDFICSA-N 317.349 -0.104 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCC1[C@H]2CN(C(=O)CC(N)=O)C[C@H]12 1009526322 LHBGJRIHWNLITJ-JHEVNIALSA-N 321.377 -0.727 30 20 DBED O=C(C#CC1CC1)N1CCN(C(=O)c2nc3ncccn3n2)CC1 1011109174 RQCOYNXDPGVVHN-UHFFFAOYSA-N 324.344 -0.178 30 20 DBED C=CCN1CC[C@@H](N2CC[C@H](NC(=O)c3cnn(C)n3)C2)C1=O 1015842685 POHGZQSCMKFCGN-WCQYABFASA-N 318.381 -0.594 30 20 DBED C#CCN1CCC2(CC1)C[C@@H]2NC(=O)[C@@H]1COCCN1C(C)=O 1016985213 IVNNGBOSZLJCTP-GJZGRUSLSA-N 319.405 -0.162 30 20 DBED C=CCn1cc(C(=O)N[C@H]2C[C@H](NCc3cnon3)C2)nn1 1020700077 HSUKYKPYWXURST-MGCOHNPYSA-N 303.326 -0.102 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccn(C)n2)C1 1023792143 LAZCERNEOOIKBS-VXGBXAGGSA-N 306.366 -0.066 30 20 DBED C=CCN1CCC[C@@H]1CNC(=O)c1c[nH]nc1S(N)(=O)=O 1028124594 TWIBHAVPSVMZBG-SECBINFHSA-N 313.383 -0.563 30 20 DBED N#CCN1CC[C@@H](CNC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 1028536201 NZVOLYRBFJQVKL-RYUDHWBXSA-N 316.365 -0.276 30 20 DBED C=CCN1CC[C@H](N2CC(CNC(=O)c3cnsn3)C2)C1=O 1031563994 YDXVHHDVUJZSFA-LBPRGKRZSA-N 321.406 -0.013 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2Cc1nnnn1C1CC1 1032317665 ZCFKYXJULNHFMQ-DLOVCJGASA-N 301.354 -0.047 30 20 DBED CC#CCN1CCO[C@H](CNC(=O)[C@H]2COCCN2CC)C1 1035425296 UZQXXWVWZHNRTE-HUUCEWRRSA-N 309.410 -0.453 30 20 DBED C=CCN1CCO[C@H](CNC(=O)[C@H]2CCN(C)S2(=O)=O)C1 1035545473 SKWLMESJOFJYTR-VXGBXAGGSA-N 317.411 -0.977 30 20 DBED C#CCOc1ncccc1C(=O)NC[C@H]1CN(CCO)CCO1 1035587150 XBHGSOLRLBZDCA-ZDUSSCGKSA-N 319.361 -0.484 30 20 DBED CO[C@@H](C(=O)N1CC[C@@](O)(CNC(=O)C#CC2CC2)C1)C1CC1 1039681078 SZPLFVACCZYIKF-NVXWUHKLSA-N 320.389 -0.096 30 20 DBED O=C(C#CC1CC1)N1CC[C@](O)(CNC(=O)[C@@]23COC[C@@H]2C3)C1 1040063445 DXCFPMAIVLJTRH-JQFCIGGWSA-N 318.373 -0.484 30 20 DBED C[C@H]1CN(C(=O)C(N)=O)CC[C@@H]1CNc1cncc(C#N)n1 1040442287 OHCHDFTVMYDPSR-VHSXEESVSA-N 302.338 -0.270 30 20 DBED C=CCCC(=O)N1CC[C@@](O)(CNC(=O)[C@@H](C)CC(N)=O)C1 1040476479 MAPOWJPQSCAGFY-XHDPSFHLSA-N 311.382 -0.456 30 20 DBED C[C@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)Cc2cnn(C)c2)C1 1040762305 HCNILHDRYSZFHU-IAQYHMDHSA-N 319.365 -0.798 30 20 DBED CC(C)C#CC(=O)N1CC[C@](O)(CNC(=O)Cc2cnc[nH]2)C1 1041034754 FLLDYNCFBYBVCU-INIZCTEOSA-N 318.377 -0.309 30 20 DBED C[C@@H](C(=O)N1CC[C@@]2(CCN(CC#N)C2)C1)N1C(=O)CCC1=O 1041338759 KUIUBCPPHWTGCN-BLLLJJGKSA-N 318.377 -0.028 30 20 DBED CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)CSCC#N)C1 1041568314 HMGWUJPDOSLGGM-JTQLQIEISA-N 315.395 -0.642 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2cn[nH]c2)C1 1041662963 HGGYAPVTBXKWHG-JTQLQIEISA-N 308.338 -0.696 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC(O)(CNC(=O)c3cocn3)C2)c1 1042047347 OMJBTDGLWFGAPK-UHFFFAOYSA-N 315.289 -0.509 30 20 DBED N#CCN1CC[C@H]2CCN(C(=O)CN3CCC(=O)NC3=O)C[C@H]21 1042304610 PVVYCACHSHNDIM-NWDGAFQWSA-N 319.365 -0.625 30 20 DBED N#Cc1cc(C(=O)NCC2(O)CN(C(=O)c3cn[nH]c3)C2)c[nH]1 1042669838 XUBUBMRCUZMFAA-UHFFFAOYSA-N 314.305 -0.774 30 20 DBED Cc1cc(C(=O)N2CC(O)(CNC(=O)C#CC3CC3)C2)no1 1042959324 WFFGUWVKEVUGOS-UHFFFAOYSA-N 303.318 -0.300 30 20 DBED C=C1CC(C)(C(=O)N2CC(O)(CNC(=O)CCNC(N)=O)C2)C1 1042992684 WSQPXQULFZRENN-UHFFFAOYSA-N 324.381 -0.909 30 20 DBED CN(C(=O)c1cnc2c(c1)NC(=O)CO2)C1CN(CC#N)C1 1043237500 QTZSSWRIFLTCSD-UHFFFAOYSA-N 301.306 -0.308 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)[C@@H]3CCCO3)C2)nn1 1043845277 LBHXWRVKDLHJBN-WOPDTQHZSA-N 303.322 -0.807 30 20 DBED Cc1noc(CCC(=O)NCC2(O)CN(C(=O)[C@H](C)C#N)C2)n1 1044341345 JAYBDYLHOLYKAG-SECBINFHSA-N 321.337 -0.840 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)[C@@H]2CCN(C)C2=O)C1 1044463907 IRUNYSKQJXUUTF-LLVKDONJSA-N 323.393 -0.634 30 20 DBED C=CCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CN(C)C(=O)N2)C1 1044475160 LZQYOKZFKJFLJR-NSHDSACASA-N 324.381 -0.944 30 20 DBED CC[C@@H](F)C(=O)NCC1(O)CN(C(=O)c2ccc(C#N)[nH]2)C1 1044802128 VKZQYIKCQGUHSC-SNVBAGLBSA-N 308.313 -0.062 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)c2n[nH]cc2F)C1 1046206938 UBVFRXALCDCETJ-UHFFFAOYSA-N 312.301 -0.946 30 20 DBED CN(C(=O)C[C@@H]1CCCCC(=O)N1)[C@H]1CN(CC#N)C[C@@H]1O 1047608480 VIDUBENWYNGRQW-AVGNSLFASA-N 308.382 -0.538 30 20 DBED CN(C(=O)[C@H]1Cc2cccnc2C1)[C@H]1CN(CC#N)C[C@@H]1O 1047609959 OAYKXGCBQOBHRO-QEJZJMRPSA-N 300.362 -0.177 30 20 DBED CCCC(=O)NCC(=O)N(C)[C@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1O 1048439580 IOLVTCPMBNPSCN-WOPDTQHZSA-N 324.381 -0.908 30 20 DBED CCN(C)C(C)(C)C(=O)N(C)[C@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1O 1049018989 CARJQXFUXMDXAH-AGIUHOORSA-N 324.425 -0.094 30 20 DBED C#CCOCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC23CC3)C1 1049631971 RHEJVYXVSAKKBT-RDBSUJKOSA-N 320.389 -0.144 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)[C@@H]1CC(=O)N(C(C)C)C1 1050944941 GXAUWRFKZZAEFB-ZIAGYGMSSA-N 307.394 -0.307 30 20 DBED C#CCCN1CCOC[C@@H]1CNC(=O)[C@H]1CCS(=O)(=O)C1 1051011579 KAFFYKCDJBYCGX-STQMWFEESA-N 314.407 -0.739 30 20 DBED C=C1CC(C)(C(=O)N2CCO[C@@H](CNCc3nnn(C)n3)C2)C1 1051815734 ZZSKDHIUOZXFSU-LBPRGKRZSA-N 320.397 -0.117 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@@H]1C 1053170432 DBMQMSCIAQZVFS-NWDGAFQWSA-N 318.381 -0.306 30 20 DBED C[C@@H](O)CN1CC2(C1)CN(C(=O)c1ccc(C#N)[nH]1)CCO2 1053223618 BOGLZFPECFZEQP-LLVKDONJSA-N 304.350 -0.206 30 20 DBED C=CCN1CC2(CC[C@H](CNC(=O)[C@H]3CN(C)CCO3)O2)C1 1053584958 AJCUIWQMJDNOPH-ZIAGYGMSSA-N 309.410 -0.147 30 20 DBED C=C(C)CN[C@H]1CN(C(=O)Cn2ccc(O)nc2=O)C[C@H]1C 1054874484 NHJGJOXQPLQNDJ-NEPJUHHUSA-N 306.366 -0.039 30 20 DBED C=CCO[C@H](C)C(=O)N1C[C@@H]2CN(C(=O)CC(=O)NC)C[C@@H]2C1 1055300215 KJTOXLDITNGNQL-UPJWGTAASA-N 323.393 -0.370 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@](CO)(NC(=O)c2nc[nH]n2)C1 1056045981 WMSMVLCIEIQGOF-TVQRCGJNSA-N 306.326 -0.952 30 20 DBED Cc1ccc(C#N)c(N2C[C@@H]3C(NC(=O)Cn4cnnn4)[C@H]3C2)n1 1056128805 NVRMZVIBBIHXGN-RYUDHWBXSA-N 324.348 -0.501 30 20 DBED N#Cc1ccc(N2C[C@H]3[C@H](NC(=O)[C@H]4CCNC4=O)[C@H]3C2)nn1 1056354976 CAPPQIGIURWGFH-MEWQQHAOSA-N 312.333 -0.965 30 20 DBED Cc1cc(=N[C@@H]2CCN(C(=O)[C@@H]3COC(=O)N3)C2)c(C#N)c[nH]1 1056618472 CHXAISPOBURMQD-YPMHNXCESA-N 315.333 -0.195 30 20 DBED C=C(C)C(C)(C)C(=O)NCCN(CCO)C(=O)CNC(C)=O 1056817091 DPIDPEIVANRUER-UHFFFAOYSA-N 313.398 -0.338 30 20 DBED N#Cc1ccc(N[C@@H]2CCN(C(=O)[C@@H]3CCC(=O)NC3)C2)nn1 1056818174 YXEVMAYCLFPEQT-ZYHUDNBSSA-N 314.349 -0.113 30 20 DBED C#CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)CCCOC 1057080194 JQSDADWVRJQNQD-ZDUSSCGKSA-N 314.382 -0.612 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)[C@H](COC)OC 1057171342 XRNHZWQONWMJTR-LBPRGKRZSA-N 302.371 -0.449 30 20 DBED C[C@](O)(CC(=O)NCCN(CCO)C(=O)C#CC1CC1)C1CC1 1057531120 FSCVOHDIFLTBMR-KRWDZBQOSA-N 322.405 -0.112 30 20 DBED N#Cc1cncc(N[C@H]2CCN(C(=O)[C@@H]3COC(=O)N3)C2)n1 1058883818 WDAFGNKEGZABFI-WPRPVWTQSA-N 302.294 -0.531 30 20 DBED C#CCCCC(=O)N1CC[C@H](CCNC(=O)CNC(N)=O)C1 1059551726 OLIYXFPDAGQWLK-LBPRGKRZSA-N 308.382 -0.187 30 20 DBED Cc1cnn(CC(=O)NC[C@@H]2COCCN2C(=O)[C@@H](C)C#N)c1 1061370588 WSGVZJQCJNUITK-QWHCGFSZSA-N 319.365 -0.305 30 20 DBED C=CCCC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1COC(=O)N1 1061545980 IXVCHELIJYAPIG-QWRGUYRKSA-N 311.338 -0.595 30 20 DBED C=CCOCC(=O)N1CCOC[C@@H]1CNC(=O)c1[nH]cnc1C 1061697116 KIGWDOITYNUWDD-LBPRGKRZSA-N 322.365 -0.122 30 20 DBED C=CCCC1(C(=O)NC[C@@H]2COCCN2C(=O)CC(N)=O)CC1 1061864155 IZNXBABOXLMNHQ-GFCCVEGCSA-N 323.393 -0.048 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H]1CCCCN1C(=O)CNC(C)=O 1061976045 HRIXPQBZRDDHMA-GXTWGEPZSA-N 323.393 -0.342 30 20 DBED N#Cc1nccc(N2[C@H]3CC[C@H]2CN(C(=O)c2nc[nH]n2)C3)n1 1061981177 YPESJOBCWAJURT-UWVGGRQHSA-N 310.321 -0.040 30 20 DBED N#Cc1nccnc1N1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCNC1=O 1062555505 FQYIHJINWMNLEA-DCAQKATOSA-N 312.333 -0.726 30 20 DBED CN(C(=O)Cn1cncn1)[C@@H]1CCN(c2cnc(C#N)cn2)C1 1062932562 CAYANMKMWVULRE-GFCCVEGCSA-N 312.337 -0.323 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)[C@H]2CN(C)C(=O)N2)CCC1 1064311121 XXLBJQBIPCIGOI-NXEZZACHSA-N 307.354 -0.675 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)[C@@H](C)NC(C)=O)CCO1 1064818391 PLIZXTCPURSVMF-TZMCWYRMSA-N 323.393 -0.342 30 20 DBED C=CCCC(=O)N1CCO[C@@H](CNC(=O)[C@@H]2CCC(=O)N2)C1 1064955401 GVVNTLQPTUHXHN-RYUDHWBXSA-N 309.366 -0.425 30 20 DBED C#CCC1(C(=O)NC[C@@H]2CN(C(=O)CC(N)=O)CCO2)CCC1 1064999052 PYSHVLXSMKGWNF-GFCCVEGCSA-N 321.377 -0.601 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCO[C@@H](CNC(=O)C(F)F)C1 1065097686 XMFTWNLNSWVKMZ-ZANVPECISA-N 306.309 -0.078 30 20 DBED CN(C(=O)c1cn[nH]c1)[C@H]1CN(c2ncccc2C#N)C[C@@H]1O 1065566998 GMVLAEVHEXYSHI-STQMWFEESA-N 312.333 -0.002 30 20 DBED N#Cc1cccnc1N1C[C@@H](O)[C@@H](CNC(=O)c2cnn[nH]2)C1 1067698602 ZRJHQPNPKDBKGR-CMPLNLGQSA-N 313.321 -0.702 30 20 DBED C[C@H]1C[C@H](N=c2cc[nH]c(C#N)n2)CN1C(=O)c1nccnc1N 1069055534 VPLGBAUSTWAPKA-UWVGGRQHSA-N 324.348 -0.143 30 20 DBED C#CCN1CCn2ncc(CNC(=O)[C@H]3CCCNC3=O)c2C1 1069863626 BMDKAFWTHUQTDS-ZDUSSCGKSA-N 315.377 -0.526 30 20 DBED Cc1nnccc1C(=O)N1C[C@H](n2ccnn2)[C@H](NCC#N)C1 1070226908 AFVXNPHDJUKFEM-OLZOCXBDSA-N 312.337 -0.445 30 20 DBED C[C@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@@]2(CCN(CC#N)C2)O1 1071204439 OZSDQWLONNOUIJ-FZMZJTMJSA-N 306.366 -0.533 30 20 DBED C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1NC(=O)CNC(N)=O 1071874324 ILBVQADHYSCZPS-KCJUWKMLSA-N 318.337 -0.869 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](NC(=O)c2nnn(C)n2)[C@H](C)C1 1072051893 JSSDEJRIGZHOAA-GHMZBOCLSA-N 304.354 -0.554 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@H]3OCCN(CC(N)=O)[C@@H]3C2)[nH]1 1074219039 JNJPPNBBJCOPAH-CHWSQXEVSA-N 317.349 -0.713 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)[C@@H]1CCCO1 1075520674 NQBDFCIHYSBYCO-RYUDHWBXSA-N 309.366 -0.684 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)CN(CC)CC 1076626630 OTKZWYGYSCIGIT-ZDUSSCGKSA-N 324.425 -0.521 30 20 DBED C#CCOc1ncccc1C(=O)N[C@@H]1CN(CC#CC)C[C@H]1O 1078027814 JLGGLWYKMOLYSK-HUUCEWRRSA-N 313.357 -0.108 30 20 DBED C#CCC1(C(=O)N[C@@H](C)CCNC(=O)[C@@H]2CNC(=O)N2)CCC1 1078092521 QNEPSXZRXPFIMX-RYUDHWBXSA-N 320.393 -0.128 30 20 DBED Cn1cnn(CC(=O)N[C@H]2C[C@H](NCC#N)C23CCC3)c1=O 1078662670 BLZSCDPSUXIOED-QWRGUYRKSA-N 304.354 -0.878 30 20 DBED C=CCCC(=O)N[C@@H](C)CCNC(=O)[C@H](C)NS(C)(=O)=O 1078737489 CAQYUERCIXQRML-QWRGUYRKSA-N 319.427 -0.099 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)c2nnn(C)c2C)C[C@@H]1O 1081333745 XIQOMHXMSBYVKU-NEPJUHHUSA-N 321.381 -0.361 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)C2=CCOCC2)C[C@H]1O 1081346528 JFOCHBRVSFVQDR-UONOGXRCSA-N 324.377 -0.529 30 20 DBED C=C(C)CCC(=O)NC[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@@H]1O 1081531094 OEHDKGPVQFDLFU-YPMHNXCESA-N 321.381 -0.280 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@H](CNC(=O)Cn2ccnc2)C1 1081580042 JBSFEXGKBYYZTL-KGLIPLIRSA-N 318.377 -0.522 30 20 DBED C=CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1ccc(C(N)=O)cn1 1083290433 ZKBWOASEMGYTQK-UONOGXRCSA-N 316.361 -0.108 30 20 DBED C#CCCN1CC[C@@H]2CN(C(=O)CN3CCOCC3=O)[C@@H]2C1 1084410792 XLBUHJOYJZDNKP-ZIAGYGMSSA-N 305.378 -0.599 30 20 DBED N#CCN1CC[C@H](OCC2CCN(C(=O)CC(N)=O)CC2)C1 1088230829 ADBFXVSELWRTGO-ZDUSSCGKSA-N 308.382 -0.285 30 20 DBED COC(=O)NCC(=O)N[C@@H](C)C[C@H](C)N=c1cc[nH]c(C#N)n1 1089245003 UKAGFFPPBIFGQN-UWVGGRQHSA-N 320.353 -0.179 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2cnc(C)nc2OC)[C@@H](O)C1 1090310640 MPHDAXPTVOKMPI-KGLIPLIRSA-N 318.377 -0.018 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)CC3(O)CCC3)C2)cn1 1090410768 HZBDRPDDDXXCTG-ZIAGYGMSSA-N 316.361 -0.076 30 20 DBED CN(C)c1cc(C(=O)N[C@@H]2CCN(CC#N)C[C@@H]2O)ccn1 1090614602 APOYZPZDMZWQMN-OLZOCXBDSA-N 303.366 -0.164 30 20 DBED CC(=O)NCC(=O)N[C@H]1CCN(c2cnc(C#N)cn2)[C@@H]1C 1091926164 FCPFCQPRBAWAGK-SKDRFNHKSA-N 302.338 -0.432 30 20 DBED N#Cc1cnc(N2CC[C@H](NC(=O)C#CC3CC3)[C@@H](O)C2)cn1 1092152827 XFYOLZQJZUTFBW-KBPBESRZSA-N 311.345 -0.183 30 20 DBED CNC(=O)CC(=O)N[C@H]1[C@@H]2CN(c3cc(C)ncc3C#N)C[C@@H]21 1093241155 AEUUYHAWKSGXJE-ATCWAGBWSA-N 313.361 -0.051 30 20 DBED CCc1nc(C#N)cc(NCCNC(=O)[C@@H]2COCCO2)n1 1093486101 YCRZOGLHZALWCF-NSHDSACASA-N 305.338 -0.146 30 20 DBED CC(C)(C)[C@@H](NC(N)=O)C(=O)NCCNc1cncc(C#N)n1 1093744795 GQVAXOBIHDNPKI-NSHDSACASA-N 319.369 -0.041 30 20 DBED Cc1cc(C#N)nc(NCCNC(=O)[C@H]2OCCO[C@H]2C)n1 1094217325 VOYOYSIBZCWLBP-JQWIXIFHSA-N 305.338 -0.011 30 20 DBED C=CCN1CC(n2cc(CNC(=O)[C@@H]3CC[C@H]3C(N)=O)nn2)C1 1094309859 TXIFNFUTWMSXRP-CHWSQXEVSA-N 318.381 -0.552 30 20 DBED Cc1cc(C#N)nc(N2CCC(N(C)C(=O)CC(N)=O)CC2)n1 1096099696 XZSUAOOKLDXAKK-UHFFFAOYSA-N 316.365 -0.041 30 20 DBED C[C@@H](CC(N)=O)C(=O)NC[C@@H](N=c1cc[nH]c(C#N)n1)C1CC1 1096768009 CSCKOSPAKHSYHT-GXSJLCMTSA-N 316.365 -0.412 30 20 DBED N#Cc1ccc(N[C@H](CNC(=O)[C@H]2CCNC2=O)C2CC2)nn1 1096782593 FAOLCVRLUHGVQL-NWDGAFQWSA-N 314.349 -0.209 30 20 DBED COc1nn(C)cc1C(=O)NC[C@H](C)N=c1cc[nH]c(C#N)n1 1098180075 QXVFLVOROGIXGE-VIFPVBQESA-N 315.337 -0.257 30 20 DBED C[C@H](CNC(=O)C[C@H]1CCC(=O)N1C)N=c1cc[nH]c(C#N)n1 1098184888 IHUQDGKPOAUTLO-GHMZBOCLSA-N 316.365 -0.302 30 20 DBED N#CCN(CCO)C1CCN(C(=O)c2ccc(C(N)=O)o2)CC1 1098423723 ARWMTWCUTMGKDL-UHFFFAOYSA-N 320.349 -0.199 30 20 DBED C=CCOCC(=O)N1CC[C@H](n2cc(CNC[C@@H](C)O)nn2)C1 1098637130 IBWGSJCNTUUKET-OCCSQVGLSA-N 323.397 -0.276 30 20 DBED Cc1cc(C#N)nc(N[C@@H](C)CCNC(=O)Cn2cnnn2)n1 1098817868 QQEDCNJKYLIULG-VIFPVBQESA-N 315.341 -0.350 30 20 DBED C[C@@H](CCNC(=O)[C@H]1CN(C)CCO1)Nc1cncc(C#N)n1 1098998785 QAZIVMXIQSBGTL-WCQYABFASA-N 318.381 -0.014 30 20 DBED C=C(Cl)CN1CC[C@H](NC(=O)CCn2ccnn2)[C@H](O)C1 1099795209 ZICOUANPGYZYOW-NWDGAFQWSA-N 313.789 -0.028 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)C2(CC)CCC2)[C@@H](O)C1 1099952370 SMFVIPCXMGPCJJ-KGLIPLIRSA-N 321.421 -0.133 30 20 DBED C=C1CC(C)(C(=O)N[C@H]2CCN(CC(=O)NCC#N)C[C@@H]2O)C1 1099993450 ASKDBLNXNFRUGQ-STQMWFEESA-N 320.393 -0.466 30 20 DBED C=CCNC(=O)CNC1CC(CNC(=O)c2nnn(C)c2C)C1 1100211906 GPMICVFAJGQNJP-UHFFFAOYSA-N 320.397 -0.476 30 20 DBED C[C@@H](C(=O)NCCN(C)c1cnc(C#N)cn1)[C@H]1CCC(=O)N1 1100333754 MJXNXGHNUDDIHS-ZYHUDNBSSA-N 316.365 -0.185 30 20 DBED COCC(=O)N(C)CC(=O)NCCN(C)c1ncccc1C#N 1100375017 NSRCQXNJCYMXHF-UHFFFAOYSA-N 319.365 -0.390 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)CNC(C)=O)c3nccn32)C1 1101604493 WHMFZZOZXPHJCB-ZDUSSCGKSA-N 315.377 -0.386 30 20 DBED CN1C[C@H](C(=O)N(C)CCNc2ccc(C#N)cn2)NC1=O 1101903348 ZTIJMUSOFDYKGB-LLVKDONJSA-N 302.338 -0.153 30 20 DBED CC[C@]1(C(=O)N(C)CCN=c2cc[nH]c(C#N)n2)CCNC1=O 1102025537 VUGGFKWWZFGNAB-HNNXBMFYSA-N 316.365 -0.443 30 20 DBED COC1CC(C(=O)NC[C@@H]2CN(CC(=O)NCC#N)C[C@H]2C)C1 1102072987 AQKRXVDMRXMQCB-NELGMTEASA-N 322.409 -0.265 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1CNC(=O)[C@@H]1[C@H]2COC[C@H]21 1102254919 PRMXPSNFFHWZCJ-NTASLKFISA-N 320.393 -0.797 30 20 DBED CCN(C(=O)CNC(N)=O)[C@@H]1CCN(c2cnc(C#N)cn2)C1 1102779801 LWCVEUQWFSXJRH-LLVKDONJSA-N 317.353 -0.556 30 20 DBED COCC(=O)N(C)CC(=O)NCC[C@@H]1CN(CC#N)C[C@H]1C 1103053164 ZROIFVDWZJZGKJ-CHWSQXEVSA-N 310.398 -0.311 30 20 DBED CC[C@H](CNC(=O)[C@@H]1CCNC1=O)Nc1ccc(C#N)nn1 1103258988 ASKLCPCQHJMVAV-MWLCHTKSSA-N 302.338 -0.209 30 20 DBED CC[C@@H](CNC(=O)c1nnn(C)n1)N=c1cc(C)[nH]cc1C#N 1103275712 PPHKTAYSUMVMAC-NSHDSACASA-N 314.353 -0.172 30 20 DBED Cc1[nH]nc(C(=O)NC[C@H](C)CN=c2cc[nH]c(C#N)n2)c1O 1103949045 FRYXCIUHPRZCGL-MRVPVSSYSA-N 315.337 -0.015 30 20 DBED C[C@@H](CN=c1cc[nH]cc1C#N)N(C)C(=O)[C@H]1CCNC1=O 1104764285 PONACJOUPKGFLL-JQWIXIFHSA-N 301.350 -0.230 30 20 DBED C=CCNCc1cn(C2CN(C(=O)CNC(=O)C3CC3)C2)nn1 1105171317 HORQELVGXRGNOG-UHFFFAOYSA-N 318.381 -0.537 30 20 DBED CC#CCNCc1cn(C2CN(C(=O)[C@H]3CCOC3)C2)nn1 1105181934 RJIKZPQMOFPUAI-LBPRGKRZSA-N 303.366 -0.189 30 20 DBED C=C(C)CNCc1cn(C2CN(C(=O)[C@@H]3CCC(=O)N3)C2)nn1 1105362717 JKKCCSCISYOOJL-ZDUSSCGKSA-N 318.381 -0.394 30 20 DBED CN(CCN(C)c1ccnc(C#N)n1)C(=O)[C@H]1CCC(=O)N1C 1105529866 DDPNLNFTATWBFX-LLVKDONJSA-N 316.365 -0.136 30 20 DBED CC(=O)N[C@@H](C)C(=O)NC[C@H](O)CN=c1cc(C)[nH]cc1C#N 1105735715 YAPLDWSNOBRLIC-GXFFZTMASA-N 319.365 -0.903 30 20 DBED CN1CCC[C@H]1C(=O)NC[C@H](O)CNc1ccc(C#N)nc1 1105756657 XUKHZULRKXTSJQ-KGLIPLIRSA-N 303.366 -0.064 30 20 DBED COc1nc(C(=O)NC[C@@H](O)CNc2cnc(C#N)cn2)co1 1106050683 UEYMXHFFLZZLII-VIFPVBQESA-N 318.293 -0.452 30 20 DBED Cc1cc(=NC[C@@H](O)CNC(=O)[C@@]2(F)CCOC2)c(C#N)c[nH]1 1106073734 YGXHGJKZXOALMK-IUODEOHRSA-N 322.340 -0.299 30 20 DBED CN1C[C@H](C(=O)NC[C@H](O)CNc2ccc(C#N)cn2)CC1=O 1106145203 KEFIMBKSILYXMZ-VXGBXAGGSA-N 317.349 -0.679 30 20 DBED C=CC(C)(C)C(=O)NCc1cn(C2CN([C@@H](C)C(N)=O)C2)nn1 1107192269 DSIPXTGANNGYMC-JTQLQIEISA-N 320.397 -0.163 30 20 DBED C#CCCN1CC(n2cc(CNC(=O)Cn3cncn3)nn2)C1 1107235071 ZUILYSAGTKFXBA-UHFFFAOYSA-N 314.353 -0.934 30 20 DBED N#Cc1ccc(NC/C=C\CNC(=O)[C@H]2CNC(=O)N2)cn1 1107490341 ZWAFOHCSCHNJTE-UDSFMNFJSA-N 300.322 -0.281 30 20 DBED CNC(=O)NCC(=O)NC/C=C\CNc1ccc(C#N)nc1 1107570582 XCBRACOOFWBECP-IHWYPQMZSA-N 302.338 -0.033 30 20 DBED C[C@H](CNc1cnc(C#N)cn1)NC(=O)CCn1cncn1 1107648454 SWDCHWOAHSLLNQ-SNVBAGLBSA-N 300.326 -0.053 30 20 DBED CNC(=O)NCCC(=O)N[C@@H](C)CN=c1cc[nH]c(C#N)n1 1108362734 WSUHKBWQAHTNID-VIFPVBQESA-N 305.342 -0.994 30 20 DBED C[C@@]1(CNC(=O)c2cncc(C(N)=O)c2)CN(CC#N)CCO1 1108402752 MXCKLXMRFQJWGK-OAHLLOKOSA-N 317.349 -0.475 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)COC3CCCC3)CC2=O)C1 1108514140 YNLDIMKUTJQCAB-ZDUSSCGKSA-N 319.405 -0.020 30 20 DBED N#CCN1CC(N2C[C@@H](NC(=O)CCn3cccc3)CC2=O)C1 1108581307 NJOBVSFTTLMSQZ-ZDUSSCGKSA-N 315.377 -0.197 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)COc1cnn(C)c1 1108667535 XVPUEIQUNQVBQB-JTQLQIEISA-N 315.337 -0.501 30 20 DBED COC(=O)NCC(=O)N[C@@H](C)CN(C)c1ccc(C#N)nn1 1108832270 PJFDGYFFFBHUTJ-VIFPVBQESA-N 306.326 -0.355 30 20 DBED C[C@H](CN(C)c1ccnc(C#N)n1)NC(=O)[C@]1(C)CNC(=O)C1 1109157073 VZQPRTPNPHNENS-BMIGLBTASA-N 316.365 -0.185 30 20 DBED CC(=O)N[C@H](C)C(=O)N[C@@H](CN=c1cc[nH]c(C#N)n1)C1CC1 1109750857 OSBDCNHJVIHMKQ-SKDRFNHKSA-N 316.365 -0.399 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H](NC(=O)[C@H]1C[C@H]1C(N)=O)C1CC1 1109977898 CXBBXJOGBHIFOL-DYEKYZERSA-N 313.361 -0.197 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCOCC 1110466678 WOSJUACOQIHWTJ-MCIONIFRSA-N 307.394 -0.116 30 20 DBED CC(=O)NCC(=O)N1C[C@H](C)[C@H](CNc2cnc(C#N)cn2)C1 1111232253 DMYZHHBWJDEVNX-CMPLNLGQSA-N 316.365 -0.009 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@@H](NCCO)[C@H](C(F)(F)F)C1 1112101145 ZRLMTGPYDLUPGR-HBNTYKKESA-N 308.300 -0.004 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)c2nnn(C)c2C)CC1 1112738939 RJNIZMVJGIVDOG-GFCCVEGCSA-N 318.381 -0.981 30 20 DBED C[C@@H](NC(=O)CS(C)(=O)=O)[C@@H](C)Nc1cncc(C#N)n1 1112926928 WAAWVLBLESYYPP-RKDXNWHRSA-N 311.367 -0.302 30 20 DBED C[C@H](N=c1cc[nH]cc1C#N)[C@@H](C)NC(=O)CCNC(N)=O 1113038678 JVJNYENEIXAQCY-VHSXEESVSA-N 304.354 -0.261 30 20 DBED C=CCOCCN1CCN(C(=O)CC2CS(=O)(=O)C2)CC1 1113044755 WLKADKXUCKRQKD-UHFFFAOYSA-N 316.423 -0.232 30 20 DBED CNC(=O)NCC(=O)N[C@@H](C)[C@@H](C)N=c1cc[nH]cc1C#N 1113349162 CLUZHNYHJRDYKG-ZJUUUORDSA-N 304.354 -0.391 30 20 DBED C#CCCN1CCN(C(=O)CN(C)S(=O)(=O)CC)CC1 1113483138 UQKWKTOVESZVNF-UHFFFAOYSA-N 301.412 -0.565 30 20 DBED C[C@H](CNC(=O)[C@@H]1CCC(=O)N1)N(C)c1ccc(C#N)nn1 1113673067 ZPXHWBYTUSRZPI-KOLCDFICSA-N 302.338 -0.432 30 20 DBED C[C@H](CNC(=O)CCn1cnnn1)N(C)c1ccncc1C#N 1113685487 AGRBWDAMVXNQKM-LLVKDONJSA-N 314.353 -0.029 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCN(C)C1=O)N(C)c1ccnc(C#N)n1 1113827092 SHEBONSMOKJSBE-WDEREUQCSA-N 316.365 -0.233 30 20 DBED N#CCNC(=O)CN1C[C@@H]2C(NC(=O)C3=COCCC3)[C@H]2C1 1114002960 QZBDAKIUORKZFX-RYUDHWBXSA-N 304.350 -0.633 30 20 DBED COCCc1nc(CN2C[C@H]3C(NC(=O)[C@@H](C)C#N)[C@@H]3C2)no1 1114066374 BXYQIVQCFMBQKO-HBNTYKKESA-N 319.365 -0.035 30 20 DBED COCC#CCN1C[C@@H]2C(NC(=O)c3n[nH]c(C)c3O)[C@H]2C1 1114141270 QKMXZCARGUYAAC-QWRGUYRKSA-N 304.350 -0.266 30 20 DBED C=CCOCCN1C[C@H]2[C@H](NC(=O)C3CN(C(C)=O)C3)[C@H]2C1 1114175643 ICQAVQLAFOHHMN-FICVDOATSA-N 307.394 -0.286 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3cc[nH]c3CC)[C@H]2C1 1114215010 OEZWHAXVYFETGX-VIKVFOODSA-N 314.389 -0.014 30 20 DBED Cc1c[nH]nc1C(=O)NC1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]12 1114231437 AZWHJWNUWMGGBH-NXEZZACHSA-N 302.338 -0.982 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H]1[C@@H]2CN(Cc3nc(O)n[nH]3)C[C@@H]21 1114271618 YHWPBIKQZWCWSA-SVDPJWKOSA-N 305.338 -0.905 30 20 DBED CC1(C)CN(c2ccnc(C#N)n2)C[C@H]1NC(=O)CNC(N)=O 1114423348 IYBYXVGQEKAZEE-SECBINFHSA-N 317.353 -0.652 30 20 DBED C=CCOCCN1C[C@H]2[C@H](NC(=O)[C@@H](C)S(C)(=O)=O)[C@H]2C1 1114475797 ZKAVCZKIWPIFQW-NDBYEHHHSA-N 316.423 -0.332 30 20 DBED COCC1(C(=O)N[C@H]2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]32)CCC1 1114584018 CZVXMLCCALRSDT-IMRBUKKESA-N 320.393 -0.511 30 20 DBED N#Cc1c(F)cccc1N1C[C@@H]2C(CNC(=O)C(N)=O)[C@H]2C1 1114619644 ADTHPRQPAQUJMZ-GHMZBOCLSA-N 302.309 -0.019 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)c3[nH]c(C)nc3C)[C@H]2C1 1114841364 UXAVSGMQNWXSJD-RYUDHWBXSA-N 317.393 -0.011 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2[C@@H]3CN(C[C@@H](O)COC)C[C@@H]32)cn1 1115140323 VOKJBFKWKYNBNQ-WCVJEAGWSA-N 315.373 -0.270 30 20 DBED C=CCCN1C[C@H]2C(NC(=O)CCS(=O)(=O)N(C)C)[C@@H]2C1 1115282135 JFESKLCSMXJBBJ-VXGBXAGGSA-N 315.439 -0.110 30 20 DBED C[C@H](CN(C)C(=O)CCn1cnnn1)N=c1cc[nH]cc1C#N 1115809113 YYQHELLUYSUSLU-LLVKDONJSA-N 314.353 -0.289 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CCC(CO)(OC)CC1 1118321754 TVBZLXXFMPOCEE-LLVKDONJSA-N 300.355 -0.697 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N(C)Cc1nncn1C 1118478062 TYOAOGKVAKIEMT-UHFFFAOYSA-N 307.354 -0.728 30 20 DBED C#CCOCCn1nnnc1N1CC[C@H](COCCOC)C1 1120161583 HSTGNIACSNXGPI-ZDUSSCGKSA-N 309.370 -0.188 30 20 DBED C=C(CC)Cn1nnnc1N1CC[C@H](S(=O)(=O)NC)C1 1120161654 KIJJTCNQBBTEFA-JTQLQIEISA-N 300.388 -0.233 30 20 DBED C[C@H](CN(C)C(=O)[C@@H]1CCC(=O)NC1)N=c1cc[nH]c(C#N)n1 1120946874 FHAYVJQWBDMEAD-GHMZBOCLSA-N 316.365 -0.445 30 20 DBED CC(=O)N(C)CC(=O)NC[C@@H](CO)Nc1nc(C)ccc1C#N 1121086621 ZHHJAPFUVJHGOO-ZDUSSCGKSA-N 319.365 -0.371 30 20 DBED N#Cc1cnc(N[C@H](CO)CNC(=O)c2cnsn2)cn1 1121092709 RLGTTXSJOKMQSA-QMMMGPOBSA-N 305.323 -0.597 30 20 DBED N#Cc1cnc(N[C@H](CO)CNC(=O)CCc2ccon2)cn1 1122234613 GRZMMBLQVGQLJK-LBPRGKRZSA-N 316.321 -0.142 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](CO)Nc1cncc(C#N)n1 1122594566 UBPBMTOWIKTCMD-XQQFMLRXSA-N 317.349 -0.172 30 20 DBED N#Cc1nc(=N[C@H](CO)CNC(=O)[C@@H]2C[C@H]2C2CC2)cc[nH]1 1122696550 SRJGHNYYSBIKMD-SDDRHHMPSA-N 301.350 -0.295 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)CCCC(C)=O 1123480505 SCQAECHDKCNTAU-UHFFFAOYSA-N 312.370 -0.537 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CCCN(c2cnc(C#N)cn2)[C@@H]1C 1123514327 PYUXZULQOSWDIJ-ZWNOBZJWSA-N 316.365 -0.042 30 20 DBED C#CCO[C@@H](C)C(=O)NCCNCC(=O)Nc1nncs1 1127046074 LBSKOYWSELDWCO-VIFPVBQESA-N 311.367 -0.779 30 20 DBED C#CCO[C@@H](C)C(=O)NCCNCC(=O)N(C)CC(F)(F)F 1127051699 LKSWMLCJLQRDHS-JTQLQIEISA-N 323.315 -0.249 30 20 DBED C#CCN1CCn2ncc(CNC(=O)[C@@H](C)NC(C)=O)c2C1 1128178751 SXQCETVCFMMBFM-LLVKDONJSA-N 303.366 -0.527 30 20 DBED C#CCN1CCn2ncc(CNC(=O)C[C@H]3CCNC3=O)c2C1 1128376314 HRGVEPYQEJURDR-GFCCVEGCSA-N 315.377 -0.526 30 20 DBED C#CCCN1CCn2ncc(CNC(=O)C3(C(N)=O)CC3)c2C1 1128480439 CTBKYKSIOREVIT-UHFFFAOYSA-N 315.377 -0.396 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H](C)OCCOC)C1 1129301420 QWGJERWGZJJMKY-MJBXVCDLSA-N 321.381 -0.696 30 20 DBED C=CCOCCN[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1n1ccnn1 1129677356 FNNWLCSKCJPPKT-MCIONIFRSA-N 318.381 -0.018 30 20 DBED C#CCN1CC[C@H](Oc2cnccc2CNC(=O)C(N)=O)C1 1130323833 VOXJOUCVDPGHMA-LBPRGKRZSA-N 302.334 -0.731 30 20 DBED CC(C)(C(N)=O)C(=O)NCc1c[nH]nc1[C@@H]1CCN(CC#N)C1 1130398701 CKKJWUFPMCHFIW-SNVBAGLBSA-N 318.381 -0.150 30 20 DBED C=CCCCN1C[C@@H](F)C[C@@H]1c1n[nH]c(CNC(=O)C(N)=O)n1 1131159384 WTVNXZMHBJTJQH-VHSXEESVSA-N 324.360 -0.043 30 20 DBED CCCN1CCC[C@H](C(=O)NCCNCC(=O)NCC#N)C1 1132738032 UFVJPEJLDASWBW-ZDUSSCGKSA-N 309.414 -0.546 30 20 DBED C#CCNC(=O)CNCCNC(=O)CCc1ccc(O)nc1 1132844400 NRFACFGPZQTYEO-UHFFFAOYSA-N 304.350 -0.825 30 20 DBED C=CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)CS(C)(=O)=O 1133834822 CYTGDJCSQUCHLC-WDEREUQCSA-N 319.427 -0.794 30 20 DBED CCNC(=O)CN1CCC2(C1)CN(C(=O)CSCC#N)C2 1147031469 VLSPVRZAIXJUKC-UHFFFAOYSA-N 310.423 -0.086 30 20 DBED N#CCNC(=O)CN1CCC2(C1)CN(C(=O)c1cscn1)C2 1147200247 CGEIPLBZHJDZTL-UHFFFAOYSA-N 319.390 -0.069 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@@H]1CCC[C@H](N(C)C)C1 1147826216 SKVOXQCFRXIKIA-KGLIPLIRSA-N 308.426 -0.438 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@@H](CC(C)C)NC(C)=O 1148488788 NLBCJIHBNLPQPX-GXTWGEPZSA-N 324.425 -0.619 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1c[nH]c2ncccc12 1151406142 ANNMSBRNGWRNMI-UHFFFAOYSA-N 300.322 -0.478 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)COC[C@@H]1CCCO1 1153684072 FXLFUXDQAINOFX-STQMWFEESA-N 311.382 -0.974 30 20 DBED C#CCNC(=O)CNCCCNC(=O)Cc1cnccc1C 1160203994 NHHPLSXCBYOWFP-UHFFFAOYSA-N 302.378 -0.222 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)[C@@H]1CCCCN1C 1161051956 DNKYFWPVRQTPQC-KBPBESRZSA-N 308.426 -0.296 30 20 DBED COCC#CCNCCCNC(=O)c1ccoc1CC(N)=O 1164659203 CEPGSSIRBIWFAH-UHFFFAOYSA-N 307.350 -0.333 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)Cn1ccc(C)n1 1166911987 IFMSFTBUOLBPIJ-ZDUSSCGKSA-N 305.382 -0.575 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)Cc1cncn1C 1171245126 WVVMEUBISLXGDJ-GFCCVEGCSA-N 307.398 -0.251 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)c1cnn(C)c1OC 1174738536 RFGZLIMIEWSYFI-LLVKDONJSA-N 323.397 -0.171 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)C(=O)NCC3CC3)C[C@H]21 1177125879 UHVWIJMCPMKKIK-ZIAGYGMSSA-N 305.378 -0.553 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CN(C)CCO2)[C@H]1C 1178414188 GONGPVLIWJNIMO-MELADBBJSA-N 324.425 -0.802 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](NCC#CCOC)[C@@H]1C 1178508379 AZQCIBVOOAEZHE-KBPBESRZSA-N 305.378 -0.645 30 20 DBED COc1nc(C(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)co1 1184628052 FABFFIHSPXHYIE-SECBINFHSA-N 307.310 -0.873 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)c2cn(C)nc2OC)C1 1184807226 ZJSQKVGDBFJBIH-GFCCVEGCSA-N 306.366 -0.117 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)CCCC(N)=O)C1 1188384235 XLHKLNWBLNCQPO-NWDGAFQWSA-N 310.398 -0.477 30 20 DBED CO[C@@H](C(=O)N1CC[C@@H](N(C)CC(=O)NCC#N)C1)C1CC1 1189901681 JXVGNLBRKUBWCC-TZMCWYRMSA-N 308.382 -0.416 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@@H](N(C)Cc2ncnn2C)C1 1190093982 FXQWAVQEDASKHO-QWHCGFSZSA-N 305.382 -0.114 30 20 DBED C=C(C)CN(C)[C@H]1CCN(C(=O)CN(C)S(C)(=O)=O)C1 1190473018 RYFLNTZQEXHTPZ-LBPRGKRZSA-N 303.428 -0.013 30 20 DBED COCC#CCN(C)[C@H]1CCN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 1190899432 JZKRMCNXMBGUSA-OWCLPIDISA-N 323.437 -0.112 30 20 DBED N#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC=CCC2)C1 1190969370 OSFGCWUETWGKPH-YNEHKIRRSA-N 306.366 -0.856 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(C[C@@H]2CCc3ncnn32)C[C@H]1O 1192509591 APLZFDCIENWOCW-BFHYXJOUSA-N 317.393 -0.270 30 20 DBED C[C@@](O)(CC(=O)N1CCCN(CC(=O)NCC#N)CC1)C1CC1 1195506541 ZQMUXGJISIPUGE-MRXNPFEDSA-N 322.409 -0.288 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)C2(C)CC2)CCCO1 1200554879 MOOYXBXHMQTSQR-CYBMUJFWSA-N 307.394 -0.257 30 20 DBED CC#CCNC[C@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)CCCO1 1201403156 IIJZYTXWJCXLNU-MELADBBJSA-N 323.393 -0.750 30 20 DBED CC#CCN1C[C@@H](NC(=O)CCN2C(=O)CCC2=O)[C@H](C)C1 1207901453 AXVSRYLLDLVQSM-CHWSQXEVSA-N 305.378 -0.015 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)[C@@H](C)CC(N)=O)C1 1208980354 QWXXHMDJGJQAOE-RYUDHWBXSA-N 310.398 -0.619 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)CCc2cnn[nH]2)C1 1209688557 DJLYVKJEXSHXLH-CYBMUJFWSA-N 318.381 -0.933 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)C[C@@H](C)COC)C1 1210417387 PYKVNOYBHKKXDW-ZIAGYGMSSA-N 309.410 -0.011 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)CC(C)C)[C@H](OC)C1 1211783810 FTUAPZTWUFZUIJ-MGPQQGTHSA-N 309.410 -0.014 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)[C@H]2CC=CCC2)[C@H](OC)C1 1211833840 PPORAYDGYPUCIH-RRFJBIMHSA-N 319.405 -0.093 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)Cc2ccoc2)[C@H](OC)C1 1212161185 MWSGWUAJRXQHRY-ZIAGYGMSSA-N 321.377 -0.060 30 20 DBED Cc1cc(C(=O)N2C[C@@H](NCC(=O)NCC#N)[C@H](C)C2)nn1C 1214233508 UNEBRJAIQYHUIE-ZWNOBZJWSA-N 318.381 -0.582 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)c2cnnc(C)c2)C[C@H]1C 1214509741 PFCSFBCWYZHKEB-BXUZGUMPSA-N 315.377 -0.415 30 20 DBED C=CCOCCN[C@@H]1CN(C(=O)C[C@H]2CC(=O)NC2=O)C[C@H]1C 1217124003 RTOUZXHIVSSVRQ-JHJVBQTASA-N 323.393 -0.322 30 20 DBED Cc1cc(C)n(CCN2C[C@H](O)[C@H](NC(=O)[C@H](C)C#N)C2)n1 1219381089 HZTDPDXEPSKWES-HONMWMINSA-N 305.382 -0.179 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)/C=C/c2ccc[nH]2)C1 1219519674 WLCXXPZBJMGVRW-CNBITHIKSA-N 303.362 -0.161 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2noc(CC)n2)C[C@@H]1O 1219602963 MRKBLLLBCWTNHS-TUAOUCFPSA-N 322.365 -0.668 30 20 DBED CC#CCCCC(=O)N[C@@H]1CN([C@H](C)C(=O)N(C)C)C[C@@H]1O 1220185583 HBYNGGGDIWPZFN-MCIONIFRSA-N 309.410 -0.182 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)c2cncnc2C)CC1 1226219635 DRQJIDAHPBGVMP-UHFFFAOYSA-N 315.377 -0.271 30 20 DBED C=CCCN[C@@H]1CCCC[C@H]1NC(=O)C[C@H](NC(C)=O)C(N)=O 1228960873 DXJOZBJRCPFDBZ-MCIONIFRSA-N 324.425 -0.040 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCO[C@@H](C)[C@@H]1C 1261181220 RUJDUABKMTVXLZ-QWRGUYRKSA-N 318.395 -0.661 30 20 DBED C=CCNC(=O)Cn1nnnc1N1C[C@@H]2[C@@H](C1)[C@H]1C=C[C@H]2O1 1262409786 KBVIYQRQDLCIRZ-DDHJBXDOSA-N 302.338 -0.635 30 20 DBED Cn1nnc(CNC(=O)NCCNc2ccc(C#N)cn2)n1 1321069097 YJZFMBIBAMHQQN-UHFFFAOYSA-N 301.314 -0.612 30 20 DBED CN(C1CCN(S(C)(=O)=O)CC1)S(=O)(=O)CCCC#N 1322523217 QGADRTNXKINNIQ-UHFFFAOYSA-N 323.440 -0.024 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCC(N(C)C(C)=O)CC1 1323261546 WATVHHJQSKAUKF-UHFFFAOYSA-N 309.366 -0.778 30 20 DBED CC#CCS(=O)(=O)NC(=O)[C@@H]1CC12CCS(=O)(=O)CC2 1324192085 HPPYEZJHNRWSLW-JTQLQIEISA-N 319.404 -0.329 30 20 DBED C=CCNC(=O)[C@H](C)S(=O)(=O)c1nnc(CO)n1C1CC1 1325860293 KQZOKCZXTIZZGM-QMMMGPOBSA-N 314.367 -0.430 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)N2CCC(CCCO)CC2)C1 1326529044 DXXPGNRARRINRZ-INIZCTEOSA-N 323.393 -0.125 30 20 DBED N#CC[C@@H]1CCCN(C(=O)C(=O)N2CCN3C(=O)NC[C@@H]3C2)C1 1327719345 ACEVVPFILHSWAI-NWDGAFQWSA-N 319.365 -0.625 30 20 DBED CC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)N1CC[C@](F)(C#N)C1 1331473989 TZJNTSUHIVDDPN-WFASDCNBSA-N 324.356 -0.032 30 20 DBED C=CC1CCN(C(=O)C(=O)N[C@H]2CCS(=O)(=O)C2)CC1 1335345386 ZVJKOUHKMFJMTP-NSHDSACASA-N 300.380 -0.286 30 20 DBED C#CCOCCn1nnnc1N1CC[C@H](OCCOCC)C1 1336016046 DJNPOXWAQJWMKA-ZDUSSCGKSA-N 309.370 -0.045 30 20 DBED C=C(Br)CNC(=O)C(=O)N[C@H]1CCCN(C)C1=O 1349066040 GCWRGDKCXWQORQ-QMMMGPOBSA-N 318.171 -0.252 30 20 DBED C=CCOC[C@H](NC(=O)[C@H]1COCCN1CC(F)F)C(=O)O 1350770145 ZFHDIQYPLVHSTE-VHSXEESVSA-N 322.308 -0.276 30 20 DBED CCCN(CCO)C(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1351771183 ZFVADYPAVQZKGY-ZDUSSCGKSA-N 308.382 -0.584 30 20 DBED CS(=O)(=O)N1CC[C@H](CNC(=O)C2(C#N)CCOCC2)C1 1362228184 WXGCAOHZFLFMKD-LLVKDONJSA-N 315.395 -0.296 30 20 DBED CC(C)(O)[C@@H]1CCCN1C(=O)Cn1cc(C#N)c(O)nc1=O 1362338643 MZMJJHOVFIAICC-JTQLQIEISA-N 306.322 -0.418 30 20 DBED CC1(C)CN(C(=O)CCn2cc(C#N)c(O)nc2=O)C[C@H]1O 1362777872 UBOVSGDDUXHNIO-SNVBAGLBSA-N 306.322 -0.560 30 20 DBED N#CCc1ccccc1S(=O)(=O)N[C@@]1(C(N)=O)CCOC1 1364002888 OUTPLKCRMSUPQJ-ZDUSSCGKSA-N 309.347 -0.325 30 20 DBED Cn1c(=O)[nH]c(NC[C@@H]2CCCCS2(=O)=O)c(C#N)c1=O 1364166081 BWYJPLZILFJGDR-QMMMGPOBSA-N 312.351 -0.676 30 20 DBED N#Cc1ccc(S(=O)(=O)N2CC[C@@H](CS(N)(=O)=O)C2)o1 1365744020 JEYGVICCUMKGFR-MRVPVSSYSA-N 319.364 -0.550 30 20 DBED CC[C@@H](C)C(=O)NCC1(O)CN(CC(=O)N(CC)CCC#N)C1 1376141300 QUNXJVUELPAEGE-CYBMUJFWSA-N 324.425 -0.042 30 20 DBED CN(C[C@H](O)CN[C@H]1CCN(C)C1=O)C(=O)c1cc(C#N)c[nH]1 1379772069 XCXISQJRLFNZHF-NEPJUHHUSA-N 319.365 -0.860 30 20 DBED CCN(CCC#N)C(=O)CNC[C@H]1CN(C(=O)C2CC2)CCO1 1380894597 BTBZEGJZPGUDDL-AWEZNQCLSA-N 322.409 -0.024 30 20 DBED CNC(=O)NCCC(=O)N(C)C1CCN(C(=O)[C@@H](C)C#N)CC1 1383540416 UHUDCSRPDCKURU-NSHDSACASA-N 323.397 -0.085 30 20 DBED C[C@H](C#N)C(=O)N(C)CCNC(=O)Cc1nc(C2CC2)nn1C 1387779108 KGSICALDDYNBNK-SNVBAGLBSA-N 318.381 -0.031 30 20 DBED C[C@H](C#N)C(=O)N1CC(NC(=O)CNC(=O)c2ccccc2)C1 1387814871 SZDYZCYWRVETRQ-LLVKDONJSA-N 314.345 -0.097 30 20 DBED C=C(Cl)CN[C@@H](C)CNC(=O)c1cn(C)c(=O)n(C)c1=O 1390483694 PXNMWQAXWJFVJK-VIFPVBQESA-N 314.773 -0.456 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1ncc2n1CCCC2 1399822410 GJKBCXPLDMETHI-JQWIXIFHSA-N 319.365 -0.414 30 20 DBED CCn1ccc(C(=O)N(C)C[C@H](O)CNC(=O)[C@@H](C)C#N)n1 1413261731 SEAMUZPKWHITFA-WDEREUQCSA-N 307.354 -0.388 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(N(C)[C@@H](C)C(=O)NC(N)=O)CC1 1422932388 MSUXUQLTOGEYHL-UWVGGRQHSA-N 309.370 -0.348 30 20 DBED COC[C@@H](OC)C(=O)N1CCC2(CN(C(=O)[C@H](C)C#N)C2)C1 1428606673 RBJVWXVHXIRXTF-VXGBXAGGSA-N 309.366 -0.132 30 20 DBED C=C(Cl)CNC[C@H](O)CNC(=O)c1ccc2nnnn2c1 1439016475 ZMCWCTNDXVGXAX-JTQLQIEISA-N 310.745 -0.443 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CCN(C(=O)c2cc(=O)n(C)cn2)C1 1454862745 OFNSOPUETRXCJQ-MNOVXSKESA-N 317.349 -0.482 30 20 DBED CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)Nc1ccc(C#N)cn1 1467096795 BJTAOMWPTKNVBP-UWVGGRQHSA-N 310.335 -0.113 30 20 DBED Cc1cccnc1CCNC(=O)Cn1cc(C#N)c(O)nc1=O 1468274494 JKQDAUJVVBWWMG-UHFFFAOYSA-N 313.317 -0.117 30 20 DBED C=C(Cl)CNC[C@@H](C)CNC(=O)CN1CCN(C)C(=O)C1 1482118792 PLIZZHNCSQJQDH-LLVKDONJSA-N 316.833 -0.145 30 20 DBED C[C@@H](CN(C)C(=O)c1nc2ncccn2n1)NC(=O)[C@@H](C)C#N 1487877788 UVWCMVLCYSVBCP-UWVGGRQHSA-N 315.337 -0.139 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H](O)CNC(=O)C[C@H]2CCOC2)c1 1501478808 BKWOQGRGODXTOI-ZYHUDNBSSA-N 320.349 -0.480 30 20 DBED C#CCOCCC(=O)N1CC[C@H](NC(=O)CCNC(N)=O)[C@H]1C 1511166161 DPDKOWKNQIVYLD-NEPJUHHUSA-N 324.381 -0.810 30 20 DBED CC(C)OCC(=O)N(C)C[C@H](O)CNC(=O)c1c[nH]c(C#N)c1 1511498238 OAPQQGJACHIKIQ-CYBMUJFWSA-N 322.365 -0.140 30 20 DBED C=CCn1c(N2CCO[C@@H](COC)C2)nnc1[C@@]1(O)CCOC1 1520626853 DOOIVDNJPNSTJL-IUODEOHRSA-N 324.381 -0.076 30 20 DBED CN(C)[C@@]1(C(=O)NCC(=O)NCC#N)COc2ccccc2C1 1528418649 RPZRMMHMPCFFGB-MRXNPFEDSA-N 316.361 -0.322 30 20 DBED COC(=O)N(C)CCN(C)c1cnc(C#N)c(-c2nn[nH]n2)n1 1570920823 DDBZOHNOKILORN-UHFFFAOYSA-N 317.313 -0.337 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNc1ncccc1-c1nn[nH]n1 1573577416 PBSBYLRQDDKICO-BDAKNGLRSA-N 316.325 -0.690 30 20 DBED C[C@H](CCS(C)(=O)=O)Nc1cnc(C#N)c(-c2nn[nH]n2)n1 1574694484 PSOFCFDPQOKEKS-SSDOTTSWSA-N 322.354 -0.237 30 20 DBED O=C(C#CC1CC1)N[C@]1(CO)CCCN(Cc2cnn[nH]2)C1 1577746314 VRQFSLIVQJBLTC-OAHLLOKOSA-N 303.366 -0.339 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N[C@@H]2C[C@H](N)C23CCC3)CCO1 1580042517 UXIARUGPVBQRMW-OUAUKWLOSA-N 300.384 -0.685 30 20 DBED C#CCN(CC(=O)O)C(=O)CN1C(=O)NC2(CCCC2)C1=O 1588402268 PIIUDYSPVSGLOW-UHFFFAOYSA-N 307.306 -0.603 30 20 DBED C#CC[C@@H](NC(=O)c1cc(S(N)(=O)=O)ccc1C)C(=O)O 1588414595 WRBHYBIXWDLLIA-LLVKDONJSA-N 310.331 -0.151 30 20 DBED Cc1nn(C)c(N2CCN(C(=O)[C@H](C)C(=O)O)CC2)c1C#N 1594483489 SEXLMJDLIQJAOJ-VIFPVBQESA-N 305.338 -0.031 30 20 DBED CN1CCN(C(=O)CN(C)c2ccc(C(=O)O)nc2C#N)CC1 1598604986 SWESWHCAYWMQET-UHFFFAOYSA-N 317.349 -0.138 30 20 DBED N#Cc1cn(CCC(=O)N[C@@H](CC(=O)O)C2CC2)c(=O)nc1O 1601129004 HRMVYBCVEDBHOP-JTQLQIEISA-N 320.305 -0.420 30 20 DBED N#Cc1cn(C2CN(C(=O)[C@H]3CC[C@H]3C(=O)O)C2)c(=O)nc1O 1605622891 HRPJWOUSNDGHFH-VHSXEESVSA-N 318.289 -0.685 30 20 DBED N#Cc1nc(NC(=O)c2cnn3ccncc23)[nH]c1-c1nn[nH]n1 1606355681 LHOYBMMASUVCDV-UHFFFAOYSA-N 321.264 -0.244 30 20 DBED N#Cc1c[nH]c(C(=O)NCC2CN(C(=O)[C@H]3C[C@@H]3C(=O)O)C2)c1 1608195025 CCLTZPBUKNCWRU-QWRGUYRKSA-N 316.317 -0.205 30 20 DBED N#C[C@@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)Nc1nn[nH]n1 1609492837 BSMBNWBFGFYQEY-SECBINFHSA-N 310.281 -0.299 30 20 DBED CS(=O)(=O)N1CCC(CC(=O)N[C@H]2CNC[C@@H]2C#N)CC1 1647265312 ZDFVFFKFDOIQTI-RYUDHWBXSA-N 314.411 -0.724 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@@H](NC(=O)c2cc(C)ncn2)C1 1752752389 WKODGYHYJAZJCI-TXEJJXNPSA-N 301.350 -0.615 30 20 DBED C#CCCN1CCC[C@@H](CNC(=O)CCCS(N)(=O)=O)C1 1752785563 BTNSZHVMJHROSP-ZDUSSCGKSA-N 315.439 -0.093 30 20 DBED N#CCNC(=O)CN1CCC[C@@H]1CCCNC(=O)c1cnn[nH]1 1753031066 LSWMXXZETWHFRM-NSHDSACASA-N 319.369 -0.581 30 20 DBED C#CCNC(=O)[C@@H](C)NCCN(C)C(=O)C1(F)CCOCC1 1753196400 IMUJFALGIQTFIU-GFCCVEGCSA-N 313.373 -0.309 30 20 DBED C#CCNC(=O)[C@@H](C)NCCN(C)C(=O)c1cccn(C)c1=O 1753252677 INYZNSGNESWBOE-GFCCVEGCSA-N 318.377 -0.815 30 20 DBED CC(C)(C)NC(=O)NC(=O)CN1CC(NC(=O)C#CC2CC2)C1 1753377680 HOCLBIQUXVLPQI-UHFFFAOYSA-N 320.393 -0.176 30 20 DBED C#CCNC[C@H](O)CNC(=O)c1cc(C(F)(F)F)nn1C 1753918766 CBXWWHZVCSFWHN-QMMMGPOBSA-N 304.272 -0.248 30 20 DBED C[C@H](CNCCN(C)S(C)(=O)=O)NC(=O)C#CC1CC1 1754226294 HNEVUGALDLFCAD-LLVKDONJSA-N 301.412 -0.615 30 20 DBED C=CCOCCN1CC[C@H]1CNC(=O)c1ccc(=O)n(C)n1 1754502542 KUAXRTQWKVKKMO-LBPRGKRZSA-N 306.366 -0.213 30 20 DBED C=C[C@@](C)(O)CC(=O)N(C)C1CN(CC(=O)NCC2CC2)C1 1754574189 KOHGPNJNSSUABJ-MRXNPFEDSA-N 309.410 -0.018 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC(O)(CNC(=O)CC(C)(C)C=C)C1 1754768184 DSAUXZBULLWGAH-CYBMUJFWSA-N 321.421 -0.111 30 20 DBED C#CCNC[C@@H]1CN(C(=O)[C@@H]2CCCc3nn[nH]c32)CCO1 1755011157 SFWWYXXGHJGNSU-VXGBXAGGSA-N 303.366 -0.325 30 20 DBED C#CCNC1(CC)CCN(C(=O)CN(C)S(C)(=O)=O)CC1 1755068904 HNEGBKXVZOWSEA-UHFFFAOYSA-N 315.439 -0.128 30 20 DBED N#CCN1CCC(CO)(NC(=O)c2ccc(C(N)=O)nc2)CC1 1755182668 QLKJQUWNCSWGQB-UHFFFAOYSA-N 317.349 -0.739 30 20 DBED C#CCNC(=O)CN[C@@H](C)CN(C)C(=O)c1c[nH]c(C#N)c1 1755582632 XVKCIUNPDZYVLD-NSHDSACASA-N 301.350 -0.314 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C[C@H](O)CN(C)Cc1ncccn1 1755800439 IKLAMAFEMWDSKD-UONOGXRCSA-N 320.393 -0.234 30 20 DBED C#CCNC(=O)CC(=O)N(C)[C@@H](C)CNC(=O)c1ncoc1C 1756008000 LOKNDGNVCOQJPI-JTQLQIEISA-N 320.349 -0.301 30 20 DBED C=CCCC(=O)NC1(CCO)CN(C(=O)c2ncn(C)n2)C1 1756077818 GFLGYSCJYGSAQS-UHFFFAOYSA-N 307.354 -0.526 30 20 DBED CNC(=O)CC(=O)N[C@@H](C)[C@@H]1CN(C(=O)C#CC(C)C)CCO1 1756216250 HNHQLROPZFQJJA-STQMWFEESA-N 323.393 -0.486 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)c1ccc[nH]1 1756529966 LGUPOBKWSKUHQS-JSGCOSHPSA-N 318.377 -0.681 30 20 DBED C=CCOCC(=O)N(C)C[C@@H](O)CNC(=O)c1cnc(C)n1C 1756655928 KOSKAAGXXIVDAK-LBPRGKRZSA-N 324.381 -0.520 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC(=O)NC2)C1 1757020274 WVXZGHKLSZYBBN-QJPTWQEYSA-N 309.366 -0.833 30 20 DBED CCC(=O)C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1839829328 WNRKETFKXVKKGB-HNNXBMFYSA-N 323.349 -0.664 30 20 DBED C#CCNC(=O)CN1CCN(c2cc(C)nc3ncnn23)CC1 29721808 SRBONZVAVVUDMM-UHFFFAOYSA-N 313.365 -0.696 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 55147718 FVQGXLHRTXDTKE-UHFFFAOYSA-N 304.350 -0.565 30 20 DBED CCN(CC#N)CC(=O)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 121021515 QVFJWUXVYSMARA-UHFFFAOYSA-N 307.354 -0.197 30 20 DBED C/N=C(/NC[C@@H]1CN2CCN1CC2)NC1CCN(C2CC2)CC1 261913853 HVKONJDFIJOJRY-MRXNPFEDSA-N 320.485 -0.222 30 20 DBED COc1cc(C#N)ccc1S(=O)(=O)N1CCO[C@H](CN)C1 262010892 HMOKCRXTYXBJCY-LLVKDONJSA-N 311.363 -0.085 30 20 DBED CCN(C)C(=O)C/N=C(/N)N1CCN(c2ncccn2)CC1 262550928 TVEKTSMVFAGCIS-UHFFFAOYSA-N 305.386 -0.608 30 20 DBED Cc1cccc(S(=O)(=O)NCCC(=O)NC(N)=O)c1C#N 269833583 PJUIVDJWWNMXFU-UHFFFAOYSA-N 310.335 -0.270 30 20 DBED N#CCOc1cccc(CC(=O)N2CCO[C@@H](C(N)=O)C2)c1 270479642 JEHDPWLEPPOJEX-CYBMUJFWSA-N 303.318 -0.156 30 20 DBED NC(=O)[C@H]1CC(C(=O)NCC#CCO)=NN1c1ccc(F)cc1 283035519 YZRUILUIXMAVGS-CYBMUJFWSA-N 318.308 -0.642 30 20 DBED CCS(=O)(=O)CCNS(=O)(=O)c1cncc(C#N)c1 289661460 FKXUVHYUPHKMOH-UHFFFAOYSA-N 303.365 -0.334 30 20 DBED C#CCNC(=O)[C@H](C)N(C)Cc1ccccc1S(N)(=O)=O 292902518 ZSTSARNAQZUCEN-NSHDSACASA-N 309.391 -0.096 30 20 DBED O=C(CCN1CCO[C@@H](CO)C1)N/C(O)=N/CC(F)(F)F 331223868 DKWVXCFSJDFWHK-MRVPVSSYSA-N 313.276 -0.338 30 20 DBED CCC1(CO)CCN(/C(O)=N/CCS(=O)(=O)NC)CC1 331295721 MQRMWTGDWQVGPH-UHFFFAOYSA-N 307.416 -0.066 30 20 DBED Cc1cc(C(=O)NCCC#N)nc2c1c(=O)n(C)c(=O)n2C 332735293 XURWGHIVRQJUSZ-UHFFFAOYSA-N 301.306 -0.416 30 20 DBED COC[C@@](C)(NS(=O)(=O)N(C)C[C@@H](C)C#N)C(=O)OC 336942922 KXFBCAGHHOQKEE-GXSJLCMTSA-N 307.372 -0.510 30 20 DBED CN(C)C(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(C#N)cn1 340116759 OLXOICVEZFYBDA-NSHDSACASA-N 315.333 -0.029 30 20 DBED C=CC[C@@H](CO)CNS(=O)(=O)c1cnn(CC(=O)OC)c1 341162836 BEAXTPAMSQVKCA-SNVBAGLBSA-N 317.367 -0.481 30 20 DBED CCC(CC)(NC(=O)C1CN(c2cnc(C#N)cn2)C1)C(N)=O 343919815 JPNPKFBJJGLZAM-UHFFFAOYSA-N 316.365 -0.055 30 20 DBED CN(C)S(=O)(=O)CCCS(=O)(=O)NCC(C)(C)C#N 344894221 FHFSRTGWJDONPG-UHFFFAOYSA-N 311.429 -0.263 30 20 DBED C=CCN1C(=O)C(=O)N(Cc2nc(-c3cnn(C)c3)no2)C1=O 349879390 NHOMSNQVHLKQDQ-UHFFFAOYSA-N 316.277 -0.053 30 20 DBED COC(=O)CCN1CC[C@H](NC(=O)c2ccnc(C#N)c2)C1=O 356598892 PZNBBXNPDCMVSL-LBPRGKRZSA-N 316.317 -0.153 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@H](C)[C@H](O)C2)C1=O 357884931 ZOJMNTANAYSXKM-VHSXEESVSA-N 309.322 -0.808 30 20 DBED CS(=O)(=O)N1CCCN(S(=O)(=O)CCCC#N)CC1 362760217 UJENXWIOFAWEMX-UHFFFAOYSA-N 309.413 -0.413 30 20 DBED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2C[C@@H]3[C@@H](CO)[C@@H]3C2)CC1 368636416 IAROECGXCCLMNU-FXUDXRNXSA-N 320.437 -0.151 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCN2C(=O)NC[C@H]2C1 370298135 NUUFPJQZKYYWNH-UWVGGRQHSA-N 301.372 -0.968 30 20 DBED C=CCN(CC=C)C(=O)C(=O)N1CCN([C@H]2CCNC2)CC1 423005207 LVGLEBKSBAOCAU-AWEZNQCLSA-N 306.410 -0.307 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@H](N)[C@@H](C)C2)C1=O 429126761 IPIODLRZUBHXRQ-UWVGGRQHSA-N 308.338 -0.841 30 20 DBED CCn1nccc1CN(C)c1c(C#N)c(=O)n(C)c(=O)n1C 429328280 IKFYFOPPIOSKDI-UHFFFAOYSA-N 302.338 -0.192 30 20 DBED CCOC(=O)c1n[nH]c(C2CCN(CC(=O)NCC#N)CC2)n1 444817234 PSLLFUFGMLVAGH-UHFFFAOYSA-N 320.353 -0.199 30 20 DBED C#CCN1CCN(C(=O)CN2C(=O)N[C@@H](CCCC)C2=O)CC1 490799178 CRKBVWXINSMYLL-ZDUSSCGKSA-N 320.393 -0.126 30 20 DBED N#Cc1ccccc1OC[C@H](O)CN1C[C@@H](CO)[C@H](CO)C1 528599263 PFHGIUQDTBVLIK-SOUVJXGZSA-N 306.362 -0.169 30 20 DBED C[C@]1(CO)CCCN1C(=O)C(=O)NC1CCN(CC#N)CC1 588126971 XFWGWOLTDSGJDG-OAHLLOKOSA-N 308.382 -0.536 30 20 DBED CN(C[C@H](O)CNc1ccc(C#N)nn1)c1ccc(C#N)nn1 590062050 GYEWDSFUADMKRX-GFCCVEGCSA-N 310.321 -0.081 30 20 DBED C=CCOC[C@@H](NC(=O)[C@H]1CCCS(=O)(=O)C1)C(=O)OC 593678657 RYPCFTUPSDSQHO-WDEREUQCSA-N 319.379 -0.328 30 20 DBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](C#N)CO 597740953 JJDLKTBBNVMRLF-MWLCHTKSSA-N 322.346 -0.774 30 20 DBED CC(=O)N[C@@H](CC(=O)N1CCc2cc(C#N)ccc21)C(N)=O 597776822 NXCMMTDSMLDXLT-LBPRGKRZSA-N 300.318 -0.173 30 20 DBED C[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](C#N)C2)CC[C@H]1C(=O)O 600798521 CERANCMWKAVCMX-OUAUKWLOSA-N 309.322 -0.693 30 20 DBED COCCN1C[C@@H](C(=O)N2CCN(CCC#N)CC2)CC1=O 602205461 ARKMGCZAGIHMAY-ZDUSSCGKSA-N 308.382 -0.461 30 20 DBED CCN(C[C@@H](C)C#N)C(=O)Cn1cc(CN2CCNCC2)nn1 603210370 WPZOEZDMZPQRAF-ZDUSSCGKSA-N 319.413 -0.309 30 20 DBED COC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(C#N)cc1F 612633372 ZGBJKIRRJQPPLD-SECBINFHSA-N 302.283 -0.490 30 20 DBED CCOC[C@@H](C(=O)OC)N(C)S(=O)(=O)N(CC)CCC#N 619712401 PZWFLFKMLKWBLV-NSHDSACASA-N 321.399 -0.023 30 20 DBED C=C[C@](C)(O)C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 668591981 GQCOSEVRHVTXQK-AAEUAGOBSA-N 320.411 -0.472 30 20 DBED C#CCNC(=O)CN1CCN(S(=O)(=O)CCC(C)C)CC1 729482569 JKZNWKZUXRHHBN-UHFFFAOYSA-N 315.439 -0.271 30 20 DBED CN1C(=O)C(=O)N(CC(=O)Nc2cccc(OCC#N)c2)C1=O 733096691 MPOBWKBWYZXFRU-UHFFFAOYSA-N 316.273 -0.052 30 20 DBED CNC(=O)CNC(=S)NN=Cc1cc(C(=O)O)cs1 755708150 AYOWWIBRAWGJGZ-UHFFFAOYSA-N 300.365 -0.010 30 20 DBED C#CCOCCC(=O)N(CCOC)[C@H]1CCS(=O)(=O)C1 755863162 UUJATHIDOLQGMZ-LBPRGKRZSA-N 303.380 -0.312 30 20 DBED C[C@@H](C#N)COC(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1 770949309 UPEKEXJHONECHF-IUCAKERBSA-N 300.340 -0.210 30 20 DBED CNC(=O)[C@@H](CO)NS(=O)(=O)c1cccc(F)c1C#N 773288382 BYNKIIOTHRQJNC-SECBINFHSA-N 301.299 -0.917 30 20 DBED N#Cc1cccnc1NCCNC(=O)C(=O)N1CCCOCC1 787752816 CIMNJTCZAJOEMR-UHFFFAOYSA-N 317.349 -0.270 30 20 DBED C=C(C)[C@@H]1OCC[C@H]1CNS(=O)(=O)CCS(C)(=O)=O 797841335 LVSUUEKOQIEYOE-QWRGUYRKSA-N 311.425 -0.068 30 20 DBED C#CCn1cc(CNC(=O)c2cc(S(N)(=O)=O)oc2C)cn1 807942628 VGYPBUHNWWJWRF-UHFFFAOYSA-N 322.346 -0.005 30 20 DBED O=C(CSc1nnnn1C1CC1)N[C@H]1CCCN(O)C1=O 820476040 GHIVIBXOSJANKP-QMMMGPOBSA-N 312.355 -0.404 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N[C@@H]1CCC[C@@H]1C(=O)NC 829183364 XLRPDDYPWZDQCN-QWHCGFSZSA-N 323.393 -0.484 30 20 DBED C[C@@H](N)C[C@@H](C)NC(=O)C(=O)NCCNc1ncccc1C#N 843260168 VHXDIRMIKXCELZ-GHMZBOCLSA-N 318.381 -0.277 30 20 DBED C#CC[C@H](NS(=O)(=O)N1CCC(OC)CC1)C(=O)OC 849398014 IRRNSSIFGJMIQT-NSHDSACASA-N 304.368 -0.504 30 20 DBED C#CC[C@H](CCOC)NC(=O)CN1CCCCS1(=O)=O 880876407 VJXVQQCQRZFDMR-GFCCVEGCSA-N 302.396 -0.043 30 20 DBED C[C@H](C(=O)N(C)CC(=O)NCC#CCN(C)C)n1cccn1 913517725 NHFZVHBOSMPPAD-CYBMUJFWSA-N 305.382 -0.416 30 20 DBED CN(CCCNC(=O)COC(=O)C(C)(C)C#N)S(C)(=O)=O 919352780 PYKUAZGEOSRPFM-UHFFFAOYSA-N 319.383 -0.523 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2cnn[nH]2)C1 941452401 ZFTVPBRSUSPAIQ-YPMHNXCESA-N 316.365 -0.767 30 20 DBED C#CCN1CC[C@H](NC(=O)CN2CC(=O)N(C)C2=O)[C@@H](C)C1 944134521 DUNFEZXZJIDGSK-RYUDHWBXSA-N 306.366 -0.660 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCN(C(=O)Cc3nc[nH]n3)CC2)C1 945062221 WBQFZQFGZRASKH-LLVKDONJSA-N 316.365 -0.042 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2CCN2C(=O)c2nc[nH]n2)nn1 950053614 XUMHWSHSDVWTCO-VIFPVBQESA-N 316.325 -0.773 30 20 DBED C=CCCn1cc(C(=O)NC[C@@H]2CCN2C(=O)COC)nn1 950184000 GQCIEUMXEFTZEQ-NSHDSACASA-N 307.354 -0.169 30 20 DBED C#CCCN1C[C@@H](O)[C@H](CNC(=O)c2cncc(OC)n2)C1 958462921 IWBYXAJVQJHRIQ-DGCLKSJQSA-N 304.350 -0.469 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CCCN(C(=O)[C@H]3CCC(=O)N3)[C@@H]2C1 963694818 WDVRXWLUURWXGV-YVECIDJPSA-N 318.377 -0.126 30 20 DBED C=CCn1cc(C(=O)N2CC[C@@H](N[C@@H]3CCNC3=O)C2)nn1 970203626 DSERKCHRNKSPDS-GHMZBOCLSA-N 304.354 -0.843 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@]2(CN(Cc3ncnn3C)CCO2)C1 972296487 BSQHXOWERPCFKY-SWLSCSKDSA-N 318.381 -0.222 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@]2(CN(Cc3nnn(C)n3)CCO2)C1 972298110 QHCZCCOAKJKSPI-RISCZKNCSA-N 319.369 -0.827 30 20 DBED CC(=O)N1CC(C(=O)N2CC[C@]3(CN(CC#N)CCO3)C2)C1 972358287 PPXKTBMKJNHZBX-HNNXBMFYSA-N 306.366 -0.708 30 20 DBED C=CCN1C[C@@H]2C(CNC(=O)c3nc(O)nc(O)c3OC)[C@H]2C1 978944839 YSBWSKHMJACXQY-NXEZZACHSA-N 320.349 -0.010 30 20 DBED CNC(=O)c1ccc(C(=O)NCC2[C@H]3CN(CC#N)C[C@H]23)cn1 978998105 XXCQWGDCIIHUKN-CHWSQXEVSA-N 313.361 -0.128 30 20 DBED C#CCN[C@H]1CCN(C(=O)CN2C(=O)NC(C)(C)C2=O)[C@H]1C 987460859 TYFCKSWQUVJICC-QWRGUYRKSA-N 306.366 -0.471 30 20 DBED C#CCN1CCCN(C(=O)C[C@]2(C)CCS(=O)(=O)N2)CC1 989557139 DQFCSMDSOIWDPO-AWEZNQCLSA-N 313.423 -0.374 30 20 DBED C#CCN[C@H]1C[C@H](C)N(C(=O)CN2C(=O)NC(=O)C2(C)C)C1 989647236 UGHWWUBUUSSOFR-QWRGUYRKSA-N 306.366 -0.471 30 20 DBED N#Cc1cc(C(=O)NC2CN(C(=O)[C@]3(F)CCOC3)C2)c[nH]1 990928902 ZWLDWTSFGFQCPH-AWEZNQCLSA-N 306.297 -0.044 30 20 DBED C=CCn1cc(C(=O)N2CC(NC(=O)c3[nH]cnc3C)C2)nn1 995257070 XFFQBPSDRXFPEG-UHFFFAOYSA-N 315.337 -0.250 30 20 DBED C#CCN1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCCO3)nn2)C1 999964434 YNILXHCKBZBDMW-KGLIPLIRSA-N 303.366 -0.047 30 20 DBED C[C@H](C#N)C(=O)N1CC(CNC(=O)[C@@H]2CCCCN(C)C2=O)C1 1003313534 CYJZGMAUVRCTGF-YPMHNXCESA-N 320.393 -0.021 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CC[C@H]1CN2C(=O)C(C)(C)C(N)=O 1007370875 XMZAYOXKJISPES-OUAUKWLOSA-N 306.366 -0.141 30 20 DBED N#Cc1ccc(C(=O)N[C@]23CCC[C@H]2N(C(=O)C(N)=O)CC3)[nH]1 1014248004 GGELXSPRTXBTQY-ABAIWWIYSA-N 315.333 -0.375 30 20 DBED C#CCN1CC[C@H](NC(=O)c2ccccc2OCC(N)=O)C1 1015181478 GEMNTUKDYHWSDO-LBPRGKRZSA-N 301.346 -0.012 30 20 DBED C=C(C)CN1C[C@@H]2CC[C@H](C1)N2C(=O)c1cn(CC(N)=O)nn1 1018302620 FRUUEOXHPQLGJF-TXEJJXNPSA-N 318.381 -0.372 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCN(C(=O)Cn3cncn3)C2)C1 1019366458 DSIVSCFWWBYJPL-LLVKDONJSA-N 302.338 -0.501 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]2CN(C(=O)Cn3nccn3)C[C@H]21 1022566368 DXNSVKKNNUXNFJ-SDDRHHMPSA-N 302.338 -0.503 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccccc2O)C1 1023080222 RXILBWVTXAHXGZ-UFGOTCBOSA-N 303.318 -0.147 30 20 DBED N#CCN1CCC[C@H]1CNC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 1027878904 KALCJBDVWZCTDS-NEPJUHHUSA-N 316.365 -0.133 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCN([C@@H](C)C(=O)N(C)C)C1 1032837176 WLRQYEUZJLGXAO-ZNMIVQPWSA-N 320.437 -0.249 30 20 DBED C#CCCN1CCO[C@H](CNC(=O)c2ccn(C)c(=O)c2)C1 1035421395 ZGGVYRHENMPTIN-CQSZACIVSA-N 303.362 -0.161 30 20 DBED CN1C(=O)CN(CC(=O)N2CCC3(CC2)CN(CC#N)C3)C1=O 1035833809 DEMQHOMOCBIMOJ-UHFFFAOYSA-N 319.365 -0.672 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)CC[C@@H]1NCc1nnnn1C 1036032314 XQKSYPFRUSQWCK-YPMHNXCESA-N 302.382 -0.050 30 20 DBED N#Cc1ccccc1CN1C[C@H]2C[C@H]1[C@@H]2NC(=O)Cn1ncnn1 1037418537 DSJHNQUNBPDFBA-IJEWVQPXSA-N 323.360 -0.066 30 20 DBED C=CC(C)(C)C(=O)NC[C@]1(O)CCN(C(=O)c2cnn(C)n2)C1 1040488167 JXFKYHXKALGVGO-OAHLLOKOSA-N 321.381 -0.280 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)Cc2cncs2)C1 1040760584 OTESHRVZHUEECG-HZMBPMFUSA-N 322.390 -0.075 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)CCc2ncc[nH]2)C1 1040763769 RHQXZSVLTVRAKT-NHYWBVRUSA-N 319.365 -0.418 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(O)(CNC(=O)C(C)(F)F)C1 1041146546 MTTNKBZYRDZCMK-ZJUUUORDSA-N 318.320 -0.078 30 20 DBED COC1CC(C(=O)N[C@@H]2CN(c3cncc(C#N)n3)C[C@H]2O)C1 1041212158 JIGDMEXXMNJCHL-VYKQGROPSA-N 317.349 -0.561 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(c2nccnc2F)C[C@H]1O 1041350232 QWFLVHXKOPXAIN-KKOKHZNYSA-N 322.340 -0.128 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]3CC[C@H]2O3)C1 1042039838 JGWNFYDBFLSOMA-JHJVBQTASA-N 324.377 -0.554 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(O)(CNC(=O)c2coc(C)n2)C1 1042744231 HSFNGYGLKNPNBC-CQSZACIVSA-N 323.349 -0.387 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2cccnc2)C1 1043040966 CZADTFWVQGLIJP-LBPRGKRZSA-N 317.345 -0.577 30 20 DBED N#Cc1nccnc1N1C[C@H](O)[C@H](NC(=O)[C@@H]2CCCO2)C1 1043844680 GYSNNFWNOIGZGO-WOPDTQHZSA-N 303.322 -0.807 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)Cc3cc[nH]n3)C2)nc1 1043894195 RKAIEAGFLFTQAA-OLZOCXBDSA-N 312.333 -0.415 30 20 DBED N#Cc1cnc(N2C[C@H](O)[C@H](NC(=O)c3nc[nH]n3)C2)c(F)c1 1044109394 MCIWYTJBPMURDB-ZJUUUORDSA-N 317.284 -0.810 30 20 DBED C=C[C@H](CC)CC(=O)NCC1(O)CN(C(=O)CC(=O)NC)C1 1045064640 WSYMHAZHVFLOOB-LLVKDONJSA-N 311.382 -0.586 30 20 DBED C#CCN1CC[C@H](N2CCN(C(=O)C[C@H]3COC(=O)C3)CC2)C1 1046020099 NJJTWULHOMHWCQ-CABCVRRESA-N 319.405 -0.209 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3nn[nH]c3C2)C1 1047597507 RHWBXHMLLVCFPN-CQDKDKBSSA-N 317.393 -0.564 30 20 DBED CN(C(=O)Cc1csc2nccn12)[C@H]1CN(CC#N)C[C@@H]1O 1047630665 XSNPKIIRSGUNAP-RYUDHWBXSA-N 319.390 -0.035 30 20 DBED C=CCO[C@@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)OC)C1 1048424518 FVMWVBIFHUYUOD-VOAKCMCISA-N 314.382 -0.358 30 20 DBED C#CCOCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](F)CC)C1 1049204710 YSIZCYVKPMCKAW-AVGNSLFASA-N 314.357 -0.196 30 20 DBED C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1nc(C)n(C)c1=O 1049872863 ZXBIOTSGNJUBHQ-ZIAGYGMSSA-N 317.393 -0.411 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)c1cc2c(cn1)OCCO2 1050958797 VYFQQWVLZXORCA-LBPRGKRZSA-N 317.345 -0.083 30 20 DBED C#CCCN1CCOC[C@@H]1CNC(=O)[C@@H]1CCNC(=O)CC1 1051045971 HGCVNBYMQQFDQI-KBPBESRZSA-N 307.394 -0.257 30 20 DBED C#CCCN1CCOC[C@H]1CNC(=O)c1cncc(C(N)=O)c1 1051247628 JZQPOHNHZBAYOP-CQSZACIVSA-N 316.361 -0.366 30 20 DBED COCc1noc(CNC[C@H]2CN(C(=O)[C@@H](C)C#N)CCO2)n1 1051494249 GKVKTHNCNZXQOF-QWRGUYRKSA-N 323.353 -0.307 30 20 DBED O=C(C#CC1CC1)N1CCO[C@H](CNCc2nc(O)n[nH]2)C1 1051609498 UVQVOFDZCDSIMV-LLVKDONJSA-N 305.338 -0.759 30 20 DBED N#Cc1cnc(N2CC[C@H](NC(=O)c3ccon3)[C@@H](O)C2)cn1 1051632759 UPHQRZWCABYZTL-JQWIXIFHSA-N 314.305 -0.294 30 20 DBED N#CCN1CCN([C@H]2CCN(C(=O)CCc3nc[nH]n3)C2)CC1 1052005985 KKJMENBXGQERRD-ZDUSSCGKSA-N 317.397 -0.521 30 20 DBED Cn1nnc(C(=O)NCC2CC(Nc3cncc(C#N)n3)C2)n1 1052054657 YPEQLVALHYDOJP-UHFFFAOYSA-N 313.325 -0.508 30 20 DBED N#CCN1CC2(C1)CN(C(=O)c1cn(CC3CC3)nn1)CCO2 1053486767 BJEXNXQCWPFQLL-UHFFFAOYSA-N 316.365 -0.262 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1COC2(C1)CN(CC(N)=O)C2 1053805319 OTZQGRQIOBOFAC-UPJWGTAASA-N 323.393 -0.588 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)Cn3cc(C4CC4)nn3)CO2)C1 1053826721 IPCUOAXUHKAGQX-LBPRGKRZSA-N 316.365 -0.361 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)[C@H]3CCS(=O)(=O)C3)CO2)C1 1053864875 LXMPKWGMYMJDJS-NWDGAFQWSA-N 312.391 -0.986 30 20 DBED N#Cc1ccc(CN2CC3(C[C@@H](NC(=O)C(N)=O)CO3)C2)s1 1053912343 ZFTGSMYAGSCLFR-SECBINFHSA-N 320.374 -0.435 30 20 DBED Cc1c(C(=O)NC2[C@@H]3CN(c4ccnc(C#N)n4)C[C@@H]23)nnn1C 1056176919 YJAAEBQYPOPXKC-NXEZZACHSA-N 324.348 -0.350 30 20 DBED N#Cc1cncc(N2C[C@@H]3C(NC(=O)Cn4ccnc4)[C@H]3C2)n1 1056246130 QRWUIMOHLQMJTJ-RYUDHWBXSA-N 309.333 -0.204 30 20 DBED CN(c1cncc(C#N)n1)[C@H]1CCN(C(=O)[C@H]2COCCO2)C1 1056868424 DCMNGHDDZTVEOM-QWHCGFSZSA-N 317.349 -0.199 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)c1ccc(O)nn1 1056887487 PBDCQUDNSRENCK-UHFFFAOYSA-N 320.349 -0.464 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)c1nn(C)cc1C 1057193608 LEUOQOSYOFYMTP-UHFFFAOYSA-N 324.381 -0.518 30 20 DBED C#CCOCCC(=O)N(CCO)CCNC(=O)c1ccn(C)c1 1057581392 RVFZJCXTPJHDPI-UHFFFAOYSA-N 321.377 -0.384 30 20 DBED C=CC(C)(C)C(=O)NCCN(CCO)C(=O)[C@@H](C)CC(N)=O 1058294920 VNZSQCNZZUYBMP-NSHDSACASA-N 313.398 -0.353 30 20 DBED C[C@H]1CCN(CC(=O)N(CCO)CCNC(=O)[C@@H](C)C#N)C1 1058845877 YKLFDGWWHLZFJN-STQMWFEESA-N 310.398 -0.575 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)[C@@H](CC)NC(C)=O 1058925848 BVILIDQNCRJRJW-CYBMUJFWSA-N 313.398 -0.196 30 20 DBED CN1C[C@H](C(=O)N[C@H]2C[C@H](N=c3cc[nH]cc3C#N)C2)NC1=O 1059366124 FQNYUNBZAKLYBJ-NQBHXWOUSA-N 314.349 -0.542 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](CCNC(=O)Cn2ncnn2)C1 1060285730 CWGXBVCPMAHWIL-WDEREUQCSA-N 305.342 -0.812 30 20 DBED N#Cc1ccc(NC[C@@H]2CCN(C(=O)Cc3nc[nH]n3)C2)nn1 1060919244 ZLOOTWCYXKIDMH-JTQLQIEISA-N 312.337 -0.031 30 20 DBED C=CCOCC(=O)N1CCOC[C@H]1CNC(=O)Cn1cccn1 1061283301 FNRKVGCLQDBLOJ-CYBMUJFWSA-N 322.365 -0.571 30 20 DBED C=CCOCC(=O)NC[C@H]1COCCN1C(=O)c1ncccn1 1061426123 KVYFMYIOJPDDNR-LBPRGKRZSA-N 320.349 -0.364 30 20 DBED N#Cc1nccnc1N1CCC[C@H]1CNC(=O)[C@H]1C[C@H]1C(N)=O 1061444618 DTRKOOUCFWBSPI-AXFHLTTASA-N 314.349 -0.445 30 20 DBED C#CCOCCC(=O)NC[C@@H]1COCCN1C(=O)CCOC 1061580751 FAKMVFXUWDFUMJ-CYBMUJFWSA-N 312.366 -0.594 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)C1(N(C)C)CCC1 1061655554 QZARZYGOSXOVHC-STQMWFEESA-N 322.409 -0.026 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCOC[C@@H]1CNC(=O)c1cnon1 1061803951 DKFADNZISMLRGN-QWRGUYRKSA-N 322.321 -0.935 30 20 DBED O=C(C#CC1CC1)NCC1(NC(=O)Cn2cnnc2O)CCC1 1062973832 CFINONYVQOSMIJ-UHFFFAOYSA-N 317.349 -0.448 30 20 DBED COCCC(=O)N1CCO[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1 1064705315 HFWLTDUIGKNPSI-GFCCVEGCSA-N 320.349 -0.120 30 20 DBED CC#CCCCC(=O)N1CCO[C@@H](CNC(=O)CC(N)=O)C1 1065484300 TUTQUIFHQLSOOZ-LBPRGKRZSA-N 309.366 -0.601 30 20 DBED N#Cc1ccc(N2C[C@H]3C[C@H](NC(=O)C(N)=O)C[C@H]2C3)nn1 1065554331 YLLJWZMVIDEIMM-INTQDDNPSA-N 300.322 -0.693 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(C(=O)c2n[nH]cc2F)CCO1 1065584610 AUTIMYGRSLOILI-LLVKDONJSA-N 320.324 -0.081 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CN(C(=O)c2n[nH]cc2F)CCO1 1065585087 KBZKOMQBIBVDHW-DTWKUNHWSA-N 309.301 -0.334 30 20 DBED C[C@@H]1CN(C(=O)CC(N)=O)C[C@@H]1CNc1ccc(C#N)nn1 1065829910 RRWATTOQDQAZRM-ZJUUUORDSA-N 302.338 -0.270 30 20 DBED C[C@H]1CN(C(=O)CC(N)=O)C[C@@H]1CNc1cnc(C#N)cn1 1065830126 WMJNLRQDKVBVCH-UWVGGRQHSA-N 302.338 -0.270 30 20 DBED C[C@H]1CN(C(=O)Cn2cncn2)C[C@H]1Nc1cnc(C#N)cn1 1067098564 LYYNPOQDKDJJTR-CMPLNLGQSA-N 312.337 -0.101 30 20 DBED C[C@@H](CC(=O)N(C)CCCN(C)C(=O)[C@@H](C)C#N)NC(N)=O 1067434534 QCWDEXIYFVIELF-QWRGUYRKSA-N 311.386 -0.100 30 20 DBED CNC(=O)CC(=O)N1CC2(C[C@H](NC(=O)C#CC(C)C)CO2)C1 1068858168 AFPVGXMBFVBZRC-LBPRGKRZSA-N 321.377 -0.732 30 20 DBED CCN(CC)CC(=O)N[C@@H]1COC2(C1)CN(C(=O)[C@@H](C)C#N)C2 1068875312 OXXFRESTMWVPGU-STQMWFEESA-N 322.409 -0.026 30 20 DBED C=CCCC(=O)N1CC2(C[C@@H](NC(=O)c3cnn[nH]3)CO2)C1 1068919269 JHYZCKSNMMCCFH-SNVBAGLBSA-N 305.338 -0.129 30 20 DBED C[C@@](O)(CC(=O)N1C[C@H](n2ccnn2)[C@H](NCC#N)C1)C1CC1 1070180051 ZWEQKKGHIKSDTM-VNHYZAJKSA-N 318.381 -0.306 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC[C@@H](NC(=O)CCNC(N)=O)C1 1070732089 VNMGEAAHLKRMNN-NWDGAFQWSA-N 324.381 -0.810 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCC[C@@H](NC(=O)[C@H]2CCC(=O)N2)C1 1070902831 VACHQXIOFHKULE-YNEHKIRRSA-N 323.393 -0.037 30 20 DBED C=CCOCC(=O)N1CC[C@@H](NC(=O)c2ncn(C)n2)[C@H](C)C1 1073926916 MHGZUQFAJFJXLF-VXGBXAGGSA-N 321.381 -0.016 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)c3cc4n(n3)CCO4)C[C@@H]21 1074266234 HBEYSQOBBHRPKR-UONOGXRCSA-N 316.361 -0.176 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)c3cccc(=O)n3C)C[C@H]21 1074335751 DILPJPXFYXJETI-HUUCEWRRSA-N 315.373 -0.066 30 20 DBED CNC(=O)CC(=O)NCC1(O)CCN(C(=O)C#CC2CC2)CC1 1074581378 WEKXSFBUQGQDQG-UHFFFAOYSA-N 321.377 -0.994 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CN(Cc3ncccn3)C[C@H]2O)c1 1076855591 DDRXDSLYTKHNCI-CHWSQXEVSA-N 312.333 -0.349 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2cnc3cc(OC)ccn23)C1 1077388307 XCUFVSPYCHWSCU-TZMCWYRMSA-N 314.345 -0.249 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)c2c(C)nn(C)c2OC)C1 1077766555 LEEHRLSBRKFNNB-VXGBXAGGSA-N 306.366 -0.465 30 20 DBED C=CCOCC(=O)N1CC(N(CC)C(=O)CCc2nc[nH]n2)C1 1079572730 DWVAJBXYQHWIDJ-UHFFFAOYSA-N 321.381 -0.001 30 20 DBED C=CCCOCC(=O)N1CC(N(CC)C(=O)CC(=O)NC)C1 1079657696 RHQWYSFOQQRFGC-UHFFFAOYSA-N 311.382 -0.226 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cnns2)C1 1081297626 NGNLNZLCGIDLDI-WDEREUQCSA-N 322.390 -0.253 30 20 DBED Cc1cc(C(=O)N2C[C@@H](O)[C@H](CNC(=O)C#CC3CC3)C2)no1 1081468820 OTTSROZLQRMNHI-TZMCWYRMSA-N 317.345 -0.054 30 20 DBED C#CCCCC(=O)N1C[C@H](CNC(=O)c2cnn[nH]2)[C@@H](O)C1 1081590273 PDVSOTDJXWSEEF-JQWIXIFHSA-N 305.338 -0.843 30 20 DBED O=C(Cc1cnc[nH]1)NC[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 1081799851 BQWDIYBTBMZMSU-OCCSQVGLSA-N 316.361 -0.699 30 20 DBED C=CCCn1cc(C(=O)N[C@@H]2CN(C[C@@H](C)O)C[C@H]2OC)nn1 1082219201 ZZWHJSWVMGJNDF-YRGRVCCFSA-N 323.397 -0.336 30 20 DBED CC#CCN1C[C@@H](NC(=O)c2ccc(=O)n(C)n2)[C@H](OC)C1 1082358858 VZORBRPWOWUVLD-CHWSQXEVSA-N 304.350 -0.767 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)[C@H]2CN3CC4CC3(CO2)C4)C1 1083654363 KNJKCFTWCYCTNK-WCCAFZKYSA-N 321.421 -0.413 30 20 DBED C=CCCN1CC[C@@H]2CN(C(=O)Cn3ncn(C)c3=O)[C@@H]2C1 1084467680 LFMVYAHMMGJGDV-CHWSQXEVSA-N 305.382 -0.309 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)[C@H]1CC 1087840679 JBPFUTJJRGAXOR-WCQYABFASA-N 318.381 -0.631 30 20 DBED C#CCN1CC[C@@H](NC(=O)Cc2nnn(C(C)(C)C)n2)[C@H](O)C1 1090293190 SFNHHPAEDRIJPA-VXGBXAGGSA-N 320.397 -0.845 30 20 DBED C#CCN1CC[C@H](NC(=O)Cc2cnn3c2CCCC3)[C@@H](O)C1 1090335400 AVGOVHVYCPHGAW-HOCLYGCPSA-N 316.405 -0.054 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2cccn(C)c2=O)[C@@H](O)C1 1090738455 ZBDUDNVWUUCHRG-KBPBESRZSA-N 303.362 -0.426 30 20 DBED COC[C@H](OC)C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1C 1090820856 HEDJZRRCXUWNGK-UTUOFQBUSA-N 319.365 -0.049 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)c2cn(C)c(=O)n2C)[C@@H](O)C1 1090834664 YKQNOLUVEXQEFJ-AAEUAGOBSA-N 308.382 -0.535 30 20 DBED C[C@@H]1CN(C(=O)CCNC(N)=O)C[C@H]1N=c1cc[nH]cc1C#N 1090976449 PIIJUMSHQYCVLF-ZWNOBZJWSA-N 316.365 -0.308 30 20 DBED N#Cc1ccc(N[C@H]2C[C@H](CNC(=O)Cn3ncnn3)C2)cn1 1091482576 OKFDZXWSTHLOJH-MJHDQNEOSA-N 312.337 -0.053 30 20 DBED C=CCOCC(=O)N[C@H]1[C@@H]2CN(c3nccn4nnnc34)C[C@@H]21 1093223075 QBYHVOAOWGTKKR-IAZYJMLFSA-N 315.337 -0.727 30 20 DBED C[C@H](NS(C)(=O)=O)C(=O)NCCNc1ccc(C#N)nc1 1094147943 LGTXLCNLWRAMGS-VIFPVBQESA-N 311.367 -0.581 30 20 DBED C#CCN1CC(n2cc(CNC(=O)C3CCC(O)CC3)nn2)C1 1094286799 RYQDLWVBTPWHER-UHFFFAOYSA-N 317.393 -0.065 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)c3cnc(C)n3C)CC2=O)C1 1094776838 HMZRLMMULMOLPD-GFCCVEGCSA-N 317.393 -0.071 30 20 DBED CC1(C(=O)N[C@@H]2CC(=O)N(C3CN(CC#N)C3)C2)CCOCC1 1094794988 DWLDMEHRKMRUBA-GFCCVEGCSA-N 320.393 -0.272 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)c3ccncn3)CC2=O)C1 1094798038 SMAIFCQXPXPUHD-LLVKDONJSA-N 301.350 -0.323 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)c3[nH]cnc3C)CC2=O)C1 1094820559 JTNGXPZBGGPPNX-LLVKDONJSA-N 303.366 -0.081 30 20 DBED CN(CCCNC(=O)Cn1cnnc1O)c1ccc(C#N)cn1 1095541369 ULCNZHYCUZPJPJ-UHFFFAOYSA-N 315.337 -0.107 30 20 DBED CN(CCCNC(=O)C1(C(N)=O)CC1)c1ccc(C#N)nn1 1095718027 HDDZYASZIYXXIU-UHFFFAOYSA-N 302.338 -0.444 30 20 DBED C[C@@H](CC(N)=O)C(=O)N[C@@H]1CCCN(c2cncc(C#N)n2)C1 1096218290 GIIAVEAQSGAKTM-WDEREUQCSA-N 316.365 -0.055 30 20 DBED CNC(=O)NCCC(=O)N1CC[C@H](Nc2nccnc2C#N)C1 1096933009 WBMYCZBPBSAYDT-JTQLQIEISA-N 317.353 -0.320 30 20 DBED C[C@@H](C(=O)N[C@H]1C[C@H](N=c2cc[nH]cc2C#N)C1)S(C)(=O)=O 1097113307 OSZZZCCNDLZVJC-DLOVCJGASA-N 322.390 -0.133 30 20 DBED C[C@H](CNC(=O)[C@@H]1CN(C)CCO1)N=c1cc[nH]cc1C#N 1097769022 XUFAAWSYQGUOPJ-RISCZKNCSA-N 303.366 -0.378 30 20 DBED C[C@@H](CNC(=O)CN1CCOCC1)Nc1cncc(C#N)n1 1097782330 FVGAFQFCVITERA-NSHDSACASA-N 304.354 -0.403 30 20 DBED C[C@@H](CNC(=O)C(=O)NCC(F)F)Nc1cncc(C#N)n1 1098135463 WOGUBOUIXQMBHV-ZETCQYMHSA-N 312.280 -0.354 30 20 DBED C[C@@H](C(=O)NCCN(C)c1ccnc(C#N)n1)n1cncn1 1100028450 UPKWEWGBUKKRTB-JTQLQIEISA-N 300.326 -0.247 30 20 DBED C=CCCCN1CC[C@@H](NC(=O)CCn2cnnn2)[C@H](O)C1 1100046429 LSSQADUHSQLXKS-CHWSQXEVSA-N 308.386 -0.419 30 20 DBED CCOCCn1cc(C(=O)N[C@H]2CCN(CC#N)C[C@@H]2O)cn1 1100051817 ZXZLUDDVAIVFES-KBPBESRZSA-N 321.381 -0.392 30 20 DBED CNC(=O)NCCC(=O)NCCN(C)c1cnc(C#N)cn1 1100058918 DFRXAPQQAXQHLH-UHFFFAOYSA-N 305.342 -0.780 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)Cc2ccc[nH]2)[C@@H](O)C1 1100115029 XZXYQLBWQJGAOH-CABCVRRESA-N 305.378 -0.242 30 20 DBED N#CCNC(=O)CNC1CC(CNC(=O)c2cncc(F)c2)C1 1100240484 VQQCOIINHINRML-UHFFFAOYSA-N 319.340 -0.042 30 20 DBED CCN(CCNC(=O)CNC(N)=O)c1snc(C)c1C#N 1100459061 WUMGAMQCKSHDTQ-UHFFFAOYSA-N 310.383 -0.066 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)NCC1CC(NCC(=O)NC)C1 1100733366 WLXDTYOMOGQTLE-JXQTWKCFSA-N 324.425 -0.312 30 20 DBED Cc1n[nH]c(C)c1C(=O)NCC1CC(NCC(=O)NCC#N)C1 1100761375 KIMPSDYFMRCGDX-UHFFFAOYSA-N 318.381 -0.236 30 20 DBED N#Cc1cncc(N2CC[C@@H](CNC(=O)Cn3cncn3)C2)n1 1100982118 SZNTZGWBNVCHAE-NSHDSACASA-N 312.337 -0.418 30 20 DBED N#Cc1cncc(N2CC[C@H](CNC(=O)C3(C(N)=O)CC3)C2)n1 1101048855 RIWCXDBUDATJTF-SNVBAGLBSA-N 314.349 -0.444 30 20 DBED CCCN(CCNC(=O)[C@H]1CNC(=O)N1)c1ncccc1C#N 1101236317 UAQGMCJWJCBENV-GFCCVEGCSA-N 316.365 -0.033 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)CCc1cn(C)nn1 1101670792 FECWLHHPDVGZDB-UHFFFAOYSA-N 314.353 -0.598 30 20 DBED CC[C@@H](CNC(=O)CNC(N)=O)N=c1cc(C)[nH]cc1C#N 1102965701 IMDAXHBHEZEHBW-NSHDSACASA-N 304.354 -0.341 30 20 DBED CC[C@@H](CNC(=O)CNC(=O)NC)Nc1nccnc1C#N 1103352890 PWTNVGUXSAPGOT-VIFPVBQESA-N 305.342 -0.416 30 20 DBED COC[C@@H](OC)C(=O)N1CCC[C@@H]1CN=c1cc[nH]c(C#N)n1 1103822404 LIOBUYKFPIMFBB-VXGBXAGGSA-N 319.365 -0.166 30 20 DBED C[C@H](CNC(=O)[C@@H]1CNC(=O)N1)CNc1ncc(C#N)cc1F 1104183239 CQFYMUPKQNUNCV-KWQFWETISA-N 320.328 -0.062 30 20 DBED C[C@@H]1CN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C[C@H]1CCNCC#N 1104735901 AQGVWJXCERSWIJ-MXWKQRLJSA-N 307.354 -0.818 30 20 DBED C=CCNC(=O)CNCc1cn(C2CN(C(=O)CC)C2)nn1 1105124013 HPWXVPKJZBVRNR-UHFFFAOYSA-N 306.370 -0.537 30 20 DBED CN(CCN(C)c1cnc(C#N)cn1)C(=O)[C@@H]1CCNC1=O 1105535625 PVQYESURMAUZQC-LLVKDONJSA-N 302.338 -0.621 30 20 DBED CC[C@H](C)OCC(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1 1105791253 SHOVFCNIYBCCQC-QWRGUYRKSA-N 307.354 -0.526 30 20 DBED N#Cc1nccnc1NC[C@H](O)CNC(=O)C1=CCOCC1 1105802990 UWWUKDGPFXYEDG-NSHDSACASA-N 303.322 -0.416 30 20 DBED N#Cc1cccnc1NC[C@@H](O)CNC(=O)C[C@H]1CCC(=O)N1 1105894658 QXVSFQIBARCCOM-NEPJUHHUSA-N 317.349 -0.489 30 20 DBED Cc1cc(=NC[C@H](O)CNC(=O)[C@@]2(C)CCOC2)c(C#N)c[nH]1 1105939036 JEVWNJGJUDBFDG-BBRMVZONSA-N 318.377 -0.001 30 20 DBED N#Cc1cccnc1NC[C@@H](O)CNC(=O)CCCCC(N)=O 1105958069 UMRIDAWZMHAUHQ-LBPRGKRZSA-N 319.365 -0.112 30 20 DBED N#Cc1c(F)cccc1NC[C@@H](O)CNC(=O)[C@H]1CCNC1=O 1106052306 XQVURARHMWMCKL-ZJUUUORDSA-N 320.324 -0.278 30 20 DBED Cc1cc(=NC[C@@H](C)NC(=O)[C@@H]2COC(=O)N2)c(C#N)c[nH]1 1107703582 FQECMQQBTFEEDW-SKDRFNHKSA-N 303.322 -0.291 30 20 DBED C=CCN1CCO[C@@](C)(CNC(=O)CN2CCN(C)C(=O)C2)C1 1108035983 MEQARYZAJSCBLZ-INIZCTEOSA-N 324.425 -0.847 30 20 DBED CC#CCN1CCO[C@@](C)(CNC(=O)[C@@H]2COCCN2CC)C1 1108039330 BHAUYGLVCHEJTO-RDJZCZTQSA-N 323.437 -0.063 30 20 DBED CCc1nc(C#N)cc(NC[C@@H](C)NC(=O)CNC(=O)NC)n1 1108185150 MMKZHUBALXNGJS-SECBINFHSA-N 319.369 -0.244 30 20 DBED C=CCN1CCO[C@@](C)(CNC(=O)c2ccc(=O)n(C)n2)C1 1108381976 DZLLZIGUMWVWPS-HNNXBMFYSA-N 306.366 -0.213 30 20 DBED C=CCCN1CCO[C@@](C)(CNC(=O)CS(=O)(=O)NC)C1 1108404386 AXGIBMBJABFDJS-ZDUSSCGKSA-N 319.427 -0.681 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)[C@H](C)CS(C)(=O)=O)C1 1108424754 ROETYIJHPYEGCN-OCCSQVGLSA-N 316.423 -0.493 30 20 DBED C[C@@H](CN=c1cc[nH]cc1C#N)NC(=O)[C@@H]1CCS(=O)(=O)C1 1108604900 TVRXCAKOIWYREI-WDEREUQCSA-N 322.390 -0.274 30 20 DBED C=CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCCS(N)(=O)=O 1110963315 YAWOKXCDRUGPCM-UTUOFQBUSA-N 301.412 -0.037 30 20 DBED CO[C@@H](C)C(=O)N[C@]12CCC[C@H]1CN(CC(=O)NCC#N)C2 1111628942 OOURFPJNGVLION-HUBLWGQQSA-N 308.382 -0.368 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCC[C@]2(NC(=O)[C@H](O)C(C)C)C1 1111734629 KXEYRHCARAIAJP-LXZKKBNFSA-N 321.421 -0.277 30 20 DBED CC1(C)CN(c2cncc(C#N)n2)CC[C@@H]1NC(=O)CC(N)=O 1112370946 BOUIQUKGVYUDPW-NSHDSACASA-N 316.365 -0.055 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(c2cnc(F)cn2)C[C@H]1O 1112721057 UJNGNGZQAUHSOD-VXGBXAGGSA-N 304.325 -0.058 30 20 DBED C#CCNC(=O)CC(=O)N1CCN(Cc2cc(OC)no2)CC1 1112777644 GQRRATCQVPNUEF-UHFFFAOYSA-N 320.349 -0.533 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)CCOCC(F)F)CC1 1112861447 CCDOCAHKHWEVAA-UHFFFAOYSA-N 318.324 -0.558 30 20 DBED CN1CCC[C@H]1CCC(=O)N1CCN(CC(=O)NCC#N)CC1 1112979702 CALDGTQXDLZRNM-AWEZNQCLSA-N 321.425 -0.355 30 20 DBED C[C@@H](N=c1cc[nH]c(C#N)n1)[C@@H](C)NC(=O)[C@@H]1[C@H]2COC[C@H]21 1113261147 ACXMZEPLVRKILD-YBRCUDMCSA-N 301.350 -0.032 30 20 DBED C=CCOCC(=O)NC[C@@H](C)N(C)c1ncnc2c1nnn2C 1113541188 MWKASDZUVLGABI-SNVBAGLBSA-N 319.369 -0.098 30 20 DBED CNC(=O)NCCC(=O)NC[C@H](C)N(C)c1ccc(C#N)nn1 1113597353 SQTLMZAKKGABGN-JTQLQIEISA-N 319.369 -0.392 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1)N(C)c1ccc(C#N)nn1 1113673068 ZPXHWBYTUSRZPI-ONGXEEELSA-N 302.338 -0.432 30 20 DBED Cc1ccoc1C(=O)NC1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]12 1113854646 LMBXHKCHNMHIIJ-GHMZBOCLSA-N 302.334 -0.112 30 20 DBED C=CCCO[C@H](C)C(=O)N[C@H]1[C@@H]2CN(Cc3nnnn3C)C[C@@H]21 1113995587 FJZZZCCBKGMLLG-NMKXLXIOSA-N 320.397 -0.262 30 20 DBED C#CCOCCC(=O)N[C@H]1[C@@H]2CN([C@@H](C)c3nncn3C)C[C@@H]21 1114268365 KHDRFXMQHYGRRG-RMRHIDDWSA-N 317.393 -0.038 30 20 DBED C=C(C)CCN1C[C@H]2[C@H](NC(=O)CCS(=O)(=O)NC)[C@H]2C1 1114273252 JRSMKZNAGYPZOZ-IMRBUKKESA-N 315.439 -0.062 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)C3(COCC)CC3)[C@H]2C1 1114491395 URUAHBGSYCNQAF-STQMWFEESA-N 319.405 -0.401 30 20 DBED N#Cc1cnc(NC[C@H]2C[C@H](NC(=O)CCNC(N)=O)C2)cn1 1114769509 MPFTUKNSYCJOSO-MGCOHNPYSA-N 317.353 -0.287 30 20 DBED N#CCNC(=O)CN1C[C@H]2C(NC(=O)[C@H]3CC34CCC4)[C@@H]2C1 1114889171 UVBWJCSEFDUGAH-IJLUTSLNSA-N 302.378 -0.137 30 20 DBED N#CCNC(=O)CN1C[C@H]2C(NC(=O)[C@@H]3CC34CCC4)[C@@H]2C1 1114889173 UVBWJCSEFDUGAH-UTUOFQBUSA-N 302.378 -0.137 30 20 DBED C#Cc1ccc(C(=O)OCC(=O)N[C@@H]2CCS(=O)(=O)C2)cn1 1115983988 GVJZVPNIBOLNKZ-GFCCVEGCSA-N 322.342 -0.477 30 20 DBED C#CCSCCNC(=O)C(=O)N[C@H](C)CN1CCCC1=O 1117144720 INGALBRJEBRLJN-LLVKDONJSA-N 311.407 -0.404 30 20 DBED N#C[C@H]1CC[C@@H](NC(=O)C(=O)N2CCC[C@H](CNC(N)=O)C2)C1 1118179962 KFHAOAWZTDFURB-QJPTWQEYSA-N 321.381 -0.298 30 20 DBED Cc1nc(CCNC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)cs1 1118207563 NMRMYESWHIOUTJ-AWEZNQCLSA-N 322.390 -0.013 30 20 DBED C=CCNC(=O)Cn1nnnc1N1CC[C@@H](n2cc(C)cn2)C1 1120070615 UQELAAWYIXHGKS-GFCCVEGCSA-N 316.369 -0.068 30 20 DBED Cc1cc(=N[C@H](CO)CNC(=O)c2cnn(C)c2)c(C#N)c[nH]1 1121024710 MEOWAJHLTCACJO-ZDUSSCGKSA-N 314.349 -0.380 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](CO)Nc1nc(O)c2cnn(C)c2n1 1121212776 JBKHJBNYRUWNDT-HTQZYQBOSA-N 319.325 -0.882 30 20 DBED CCn1nncc1C(=O)NC[C@H](CO)Nc1ccc(C#N)nc1 1121471341 BWNWPVRCKUUMLQ-GFCCVEGCSA-N 315.337 -0.233 30 20 DBED CN1CC[C@H](C(=O)NC[C@H](CO)Nc2cnc(C#N)cn2)C1 1121588496 BFGRESXXKXEDGZ-CMPLNLGQSA-N 304.354 -0.811 30 20 DBED COC[C@H](C)C(=O)N(C)C[C@@H](O)CNc1nccnc1C#N 1124197129 VQLCLQGWHGZIGF-QWRGUYRKSA-N 307.354 -0.138 30 20 DBED CN(C[C@@H](O)CN(C)c1ccc(C#N)nc1)C(=O)c1cnon1 1125139981 SCOWQTPSFKUURK-LBPRGKRZSA-N 316.321 -0.094 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)[C@H]1CN2CCC1CC2 1127466665 ZCEFPGMJRWOWEQ-JSGCOSHPSA-N 308.426 -0.275 30 20 DBED C=C(C)CCC(=O)NCCNCc1cc(=O)n(C)c(=O)n1C 1128418787 WFOZJGOKEUYXNP-UHFFFAOYSA-N 308.382 -0.354 30 20 DBED C=C(C)[C@H](CC(=O)NCCNCCNS(C)(=O)=O)OCC 1128540195 RTMKBOGVPODOSR-LBPRGKRZSA-N 321.443 -0.387 30 20 DBED CC#CCN[C@@H]1CN(C(=O)c2cnccn2)C[C@@H]1n1ccnn1 1129533517 LUSNIJIHRBWESY-KGLIPLIRSA-N 311.349 -0.253 30 20 DBED COCC#CCNCCNC(=O)[C@@]12C[C@H]3C[C@H](C(=O)N1)[C@H]2C3 1130584623 KJDQHLAUFKIFKH-JFILPPLUSA-N 305.378 -0.743 30 20 DBED C=CCOCCN1C[C@@H](NC(=O)Cn2ncnn2)CC[C@@H]1C 1132041882 MEWCAHFDYIZIHD-STQMWFEESA-N 308.386 -0.155 30 20 DBED C[C@H]1CC[C@@H](NC(=O)c2n[nH]cc2F)CN1CC(=O)NCC#N 1132273980 MUBXRWDDMKUTNJ-VHSXEESVSA-N 322.344 -0.229 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)c1cnc(O)n1C 1132379405 HCMFUBKMDCJXBX-UHFFFAOYSA-N 322.369 -0.793 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)c2csc(O)n2)C1=O 1132647764 VZRXCJAXCSNBSY-SECBINFHSA-N 310.379 -0.045 30 20 DBED COCC(=O)NCCC(=O)N1CC[C@@H](C)[C@H](CNCC#N)C1 1132875510 ZMAJTOQLUBOZIT-CHWSQXEVSA-N 310.398 -0.263 30 20 DBED C#CCO[C@H](C)C(=O)N1CC2(CCN(CCOCCO)C2)C1 1147530350 KDNKQUAVAUCWJR-CQSZACIVSA-N 310.394 -0.432 30 20 DBED C=C(C)CN1CCC2(C1)CN(C(=O)CN(C)S(C)(=O)=O)C2 1147665802 RBWZIHHETZSPCA-UHFFFAOYSA-N 315.439 -0.012 30 20 DBED COCC#CCN1CCC2(C1)CN(C(=O)C(C)(C)C(N)=O)C2 1147747717 FMUNAKUDHKFMCV-UHFFFAOYSA-N 307.394 -0.318 30 20 DBED C=CCNC(=O)CN1CCCO[C@H](CNC(=O)c2cn[nH]c2)C1 1149214918 KSXQYQKTZBCAMH-CYBMUJFWSA-N 321.381 -0.467 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)COc2cnn(C)c2)C1 1150179370 JXDVBJOVCDOBHJ-ZDUSSCGKSA-N 306.366 -0.361 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)c1ccc2nn[nH]c2c1 1150710862 LGDPESBYTQOOOB-SNVBAGLBSA-N 316.365 -0.032 30 20 DBED C=CCO[C@@H](C)C(=O)NCCNCC(=O)NC[C@@H]1CCOC1 1153149545 YESNMGJAIBYECT-STQMWFEESA-N 313.398 -0.564 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)[C@@H](CC)NC(C)=O 1155387504 ASLGVBJPQFGRNU-TZMCWYRMSA-N 324.425 -0.523 30 20 DBED C=C(C)CN(CC)C(=O)CNCCCNC(=O)c1cnnn1C 1157355333 ZOMSQUWIORIPEW-UHFFFAOYSA-N 322.413 -0.051 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1cccc2nn[nH]c12 1158713082 UMZAVVJYQBPTRY-UHFFFAOYSA-N 314.349 -0.583 30 20 DBED C#CCN1CCN(Cc2ccc(CNC(=O)C(N)=O)cc2)CC1 1163030051 NBXIYHCFUYRFMS-UHFFFAOYSA-N 314.389 -0.461 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@H]1CCC[C@H](C(N)=O)C1 1167504806 PKOUGXKYUGCLFM-STQMWFEESA-N 324.425 -0.324 30 20 DBED CC#CCN1CCO[C@@H]2CCN(C(=O)COCCN(C)C)C[C@H]21 1177138176 JQWFNJBRLPRFIO-HZPDHXFCSA-N 323.437 -0.110 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)C2=CCOCC2)[C@H]1C 1178532679 GWCCQXGXQATQNR-JSGCOSHPSA-N 305.378 -0.339 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2cnnc(O)c2)[C@H]1C 1178948620 LPNZODJONHDYAK-JQWIXIFHSA-N 317.349 -0.876 30 20 DBED C[C@@H](N[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1)C(=O)NC(N)=O 1182067979 VWUCBZQUWUQPDQ-PSASIEDQSA-N 318.337 -0.726 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](NCc2nnnn2C2CC2)C1 1182496446 KSHPZORLRNKFQZ-GFCCVEGCSA-N 318.381 -0.262 30 20 DBED C#CCCN[C@@H]1CCN(C(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 1184509938 TVMZEQAUDOMUPC-YPMHNXCESA-N 301.350 -0.421 30 20 DBED C[C@@H]1CN(C(=O)c2cnn[nH]2)CC[C@H]1CNCC(=O)NCC#N 1184713763 URBAFDQIIRIART-MNOVXSKESA-N 319.369 -0.868 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2ncccn2)C1 1186512365 RKGNUSOEZYXYQH-NWDGAFQWSA-N 301.350 -0.581 30 20 DBED CN(CC(=O)NCC#N)[C@@H]1CCN(C(=O)[C@@H]2CCCOCC2)C1 1189875206 WSBFXTQWPRDICZ-ZIAGYGMSSA-N 322.409 -0.024 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)C(C)(C)NC(C)=O)C1 1192896718 OYKJJTPWOPOQFW-CYBMUJFWSA-N 322.409 -0.817 30 20 DBED C=C(C)CCC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[nH]2)C[C@H]1O 1193391938 WPSXDIAPEUMQDP-GHMZBOCLSA-N 309.370 -0.874 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1CN([C@@H]2CCC(=O)NC2=O)C[C@H]1O 1195312412 OPMRXQUDWAZXBI-GMTAPVOTSA-N 309.366 -0.835 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H](C)C(C)(F)F)C1 1196260914 ZIELRTIWECZVHV-HBNTYKKESA-N 317.336 -0.812 30 20 DBED CNC(=O)CNC[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)CCCO1 1200312768 VZWXHBLACJTYNF-ZDUSSCGKSA-N 319.365 -0.547 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCC(NCCS(C)(=O)=O)CC1 1200334762 TWNANVGXQBWOEA-AWEZNQCLSA-N 318.439 -0.061 30 20 DBED C=CCN1CCC2(CC1)CN(C(=O)CNC(N)=O)[C@@H]1COC[C@@H]12 1205473782 AXSYKBSZLCDRGD-QWHCGFSZSA-N 322.409 -0.220 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)c2csnn2)CC1 1205783627 WWRDCHJQFHFVIB-UHFFFAOYSA-N 321.406 -0.271 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@@H](C)NC(C)=O)C1 1207178891 SPDGJXYVGLSJQK-DGCLKSJQSA-N 310.398 -0.606 30 20 DBED CC[C@H](NC(C)=O)C(=O)N1CCC[C@@H](NCC(=O)NCC#N)C1 1209743335 CBGLUHHOKSRZON-OLZOCXBDSA-N 323.397 -0.879 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)CN2CCCC2)[C@H](C)C1 1211031593 JULNPPOHUVYFOK-ZIAGYGMSSA-N 306.410 -0.732 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)CC2CC2)[C@H](OC)C1 1211758915 BRTPAZZKSOFJJK-MRVWCRGKSA-N 307.394 -0.260 30 20 DBED COCC#CCN1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@H](OC)C1 1212127564 QQROQFUCMJPLBJ-HUUCEWRRSA-N 316.361 -0.035 30 20 DBED C=CCCCN1C[C@@H](NC(=O)Cn2ncn(C)c2=O)[C@H](OC)C1 1212491454 HBIPHASCICIJKE-CHWSQXEVSA-N 323.397 -0.637 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CN(CC(=O)NCC)C[C@H]1OC 1213961853 UQBLCQZTRGJZFX-YNEHKIRRSA-N 313.398 -0.471 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)c2cnsn2)C[C@H]1C 1214219832 ZTPHEMSRNRHGGS-MWLCHTKSSA-N 307.379 -0.662 30 20 DBED C#CCCCC(=O)N1C[C@@H](NCCNS(C)(=O)=O)[C@H](C)C1 1214527544 ZUQVVHVCWQDANG-CHWSQXEVSA-N 315.439 -0.224 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1C 1214555706 RLTXAUMYHLUJHI-IJLUTSLNSA-N 318.381 -0.997 30 20 DBED COC[C@H](O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)C#CC(C)C 1217852126 CQIYPQBTPPHGPX-QLFBSQMISA-N 310.394 -0.435 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)/C(C)=C\CC)C1 1219298317 QJZAXXYXGFSKRQ-JKMJDAGLSA-N 307.394 -0.358 30 20 DBED CCCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)C#CC2CC2)C1 1219596258 LSPMFFPKTMCEMZ-YUTCNCBUSA-N 307.394 -0.524 30 20 DBED CN1CC[C@@H](N2C[C@H](O)[C@H](NC(=O)C#CC(C)(C)C)C2)C1=O 1219598414 WUZAOMXWIOKMGK-UPJWGTAASA-N 307.394 -0.572 30 20 DBED C#CCCCCCC(=O)N[C@@H]1CN(C[C@H](O)COC)C[C@@H]1O 1220147040 YKLDBIYQNOVJIJ-ZNMIVQPWSA-N 312.410 -0.261 30 20 DBED N#CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3cc[nH]c3)[C@@H]2C1 1221567084 UHDQNVMECYBPOJ-CHWSQXEVSA-N 301.350 -0.199 30 20 DBED C=CCOCCN1CC[C@@H]2CN(C(=O)[C@H]3CN(C)C(=O)N3)[C@@H]2C1 1221731565 JYVXFRXGOBNAEI-MGPQQGTHSA-N 322.409 -0.255 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC(NC(=O)Cc2ncc[nH]2)CC1 1229723321 NMAAGNIBYBPKKK-GFCCVEGCSA-N 317.393 -0.329 30 20 DBED Cc1nccn1CC(=O)NC1CCN(CC(=O)NCC#N)CC1 1230267776 KNRIFJDRSRSETR-UHFFFAOYSA-N 318.381 -0.588 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C[C@H]1CCN1CC(=O)NCC#N 1234215362 KGVDEBJGFDZPDX-QWHCGFSZSA-N 306.366 -0.803 30 20 DBED CNC(=O)[C@H]1CCC[C@H]1NC(=O)C(=O)Nc1cccc(C#N)n1 1261460209 VNHUGHTZPLKNTG-WDEREUQCSA-N 315.333 -0.077 30 20 DBED C#CCNCC(=O)N(Cc1cccnc1)[C@@H]1CCS(=O)(=O)C1 1263110673 DMPLJPNZQVJSHE-CQSZACIVSA-N 321.402 -0.180 30 20 DBED C=CCN(C(=O)Cn1cnc(C#N)n1)[C@H]1CCS(=O)(=O)C1 1319260651 DCGQJJOKEGUJMI-JTQLQIEISA-N 309.351 -0.649 30 20 DBED N#CCCNC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 1321101397 QAPAYFSMDQPPOC-SECBINFHSA-N 312.351 -0.818 30 20 DBED CC#CCNC(=O)C(=O)Nc1cccnc1N1CCOCC1 1324368740 DIAGBASOIQBSCZ-UHFFFAOYSA-N 302.334 -0.004 30 20 DBED CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2CCO[C@@H](C#N)C2)C1 1325153954 RTLAESRCSGBDPC-STQMWFEESA-N 308.382 -0.322 30 20 DBED C=CCN1CCC(NC(=O)C(=O)N2CC[C@](F)(CO)C2)CC1 1326489338 ACFWOFQVNHJKCN-OAHLLOKOSA-N 313.373 -0.314 30 20 DBED C=CCCC[C@H](C)NC(=O)C(=O)NCCS(=O)(=O)NCC 1328913209 MXQOPULTQVDXKU-NSHDSACASA-N 319.427 -0.097 30 20 DBED CC[C@@H]1C(=O)N(CC)CCN1C(=O)C(=O)N1CCO[C@@H](C#N)C1 1331198098 SYWPJWVXAUUSDZ-NWDGAFQWSA-N 322.365 -0.793 30 20 DBED COc1ccc(C#N)cc1NC(=O)C(=O)NCC1(CO)COC1 1340889855 FLSBHUNTNGYMHK-UHFFFAOYSA-N 319.317 -0.370 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N1CCN(C)C(=O)[C@H]1C 1349487480 VNHVVXMJAXLOQK-VXGBXAGGSA-N 309.366 -0.780 30 20 DBED CC(C)(O)CN(C(=O)Cn1cc(C#N)c(O)nc1=O)C1CC1 1362994700 LPTFGTUPLAMVFH-UHFFFAOYSA-N 306.322 -0.418 30 20 DBED CN(CCC#N)S(=O)(=O)N1CCC(OCC(N)=O)CC1 1363823772 YAPVHCJTWMVSMU-UHFFFAOYSA-N 304.372 -0.957 30 20 DBED C[C@H](CCNC(=O)c1nc2ncccn2n1)NC(=O)[C@H](C)C#N 1373325844 FUZZTISFHPYXRM-NXEZZACHSA-N 315.337 -0.091 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)[C@H]2CCCC(=O)N2C)CC1 1379084428 YKCDWROTRUPDKW-GHMZBOCLSA-N 306.366 -0.078 30 20 DBED CCc1cnc(O)c(C(=O)NC[C@@H](O)CNC(=O)[C@@H](C)C#N)c1 1389131027 UFLWGRCPYPCEFI-ONGXEEELSA-N 320.349 -0.284 30 20 DBED CCC(=O)NCC(=O)N1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 1414771409 CGLMWOZHIYPAFH-LLVKDONJSA-N 317.349 -0.257 30 20 DBED Cn1c(=O)[nH]c(NCCN2C[C@@H]3CC[C@H](C2)O3)c(C#N)c1=O 1421127300 XGVFIMAHMFIOIG-AOOOYVTPSA-N 305.338 -0.780 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@@H](O)CNC(=O)c2ccncc2)c1 1433225392 OVMQPAIBBZJEKJ-LBPRGKRZSA-N 313.317 -0.198 30 20 DBED CN(Cc1cc(O)n2ncc(C#N)c2n1)[C@@]1(CO)CCOC1 1434488729 ZQWHUNXXLDOXHC-CQSZACIVSA-N 303.322 -0.110 30 20 DBED CN1CCN(C(=O)CNC(=O)Nc2cccc(C#N)n2)CC1 1434735653 VFIDJVNZBRQCBC-UHFFFAOYSA-N 302.338 -0.151 30 20 DBED CCC1(O)CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)CC1 1444841388 QPJUHHRQTVAWGN-UHFFFAOYSA-N 320.349 -0.026 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(CC(=O)N2CCC[C@@H](C)C2)C1 1446828229 KIOIFVLBCVGZHZ-OLZOCXBDSA-N 322.409 -0.433 30 20 DBED C[C@@H](C(=O)N(C)CCNC(=O)c1cc(C#N)c[nH]1)n1cncn1 1455193866 RBYXSFQANLKDJW-JTQLQIEISA-N 315.337 -0.073 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H]1CNC(=O)CCS(C)(=O)=O 1455741853 VZHFNBMZLLDVAA-QWRGUYRKSA-N 315.395 -0.312 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CCCN(CC(=O)NCC#N)C1 1479903423 TVIOTCPFCHTGKJ-CHWSQXEVSA-N 306.366 -0.755 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H](O)CNC(=O)[C@@H]2CCCOC2)c1 1501455468 ANFQLKSRJSTQFS-VXGBXAGGSA-N 320.349 -0.480 30 20 DBED CCCc1cc(C(=O)NC[C@H](O)CNC(=O)[C@H](C)C#N)n[nH]1 1533310240 ZIGCIAMBTKFMSF-MWLCHTKSSA-N 307.354 -0.271 30 20 DBED C[C@H](C#N)C(=O)NCCN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 1573583749 OHGIUXKILUBRPN-MRVPVSSYSA-N 316.325 -0.457 30 20 DBED COCCN(CCC(=O)O)C(=O)C(=O)N1CC[C@](F)(C#N)C1 1594001103 KTJVNFQYGGJKRP-ZDUSSCGKSA-N 315.301 -0.600 30 20 DBED N#CC[C@@H](O)CN1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1C(=O)O 1594611532 SQBNAMBVWJXHJJ-HLTSFMKQSA-N 323.271 -0.143 30 20 DBED N#CCC(=O)N1CCN(CC(=O)N2CCC(C(=O)O)CC2)CC1 1601060371 DYTXBLJOBNFYSM-UHFFFAOYSA-N 322.365 -0.633 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N1CC[C@](C)(C(=O)O)C1 1602683987 WWEMJRSXKDQTAF-ABAIWWIYSA-N 310.350 -0.146 30 20 DBED CCCNC(=O)[C@H](C)Nc1cnc(C#N)c(-c2nn[nH]n2)n1 1604220042 RLPZMRVNINVOBB-ZETCQYMHSA-N 301.314 -0.145 30 20 DBED N#CCCNC(=O)C(=O)N1C[C@@H](C(=O)O)Oc2ccccc21 1610621700 QZEOYPJNIUKBOF-NSHDSACASA-N 303.274 -0.105 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(C(=O)CN2CCCC2=O)[C@@H]1C 1719605622 RVAOSLKEINPXLY-OLZOCXBDSA-N 323.393 -0.083 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)CCCNC(=O)C(=O)NCC1CC1 1752089462 OBIOGHARYWUYSU-GFCCVEGCSA-N 322.409 -0.911 30 20 DBED Cc1conc1C(=O)N1CC[C@H](CNCC(=O)NCC#N)C1 1752955985 INSLIFSIOXJVLG-LLVKDONJSA-N 305.338 -0.326 30 20 DBED Cc1c[nH]c(C(=O)N2CCC[C@H](N(C)CC(=O)NCC#N)C2)n1 1752998689 JZFVPFMFUARVFY-LBPRGKRZSA-N 318.381 -0.106 30 20 DBED CN(CCNC(=O)[C@@H]1CCc2cncn2C1)CC(=O)NCC#N 1753054976 CQVZQPPFPFRUGC-GFCCVEGCSA-N 318.381 -0.867 30 20 DBED Cc1cc(C(=O)NC2CN(CC(=O)NCC#N)C2)c(C)nn1 1753379122 IDFLNDYGFPYKDR-UHFFFAOYSA-N 302.338 -0.853 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC(CNC(=O)CCC(=O)NCC)C1 1753397944 WCHQWZVBDSZZPP-GFCCVEGCSA-N 322.409 -0.911 30 20 DBED CC#CCNC[C@@H](C)N(C)C(=O)[C@H](C)NS(=O)(=O)CC 1753692012 HVURLDWVAGMJOI-NEPJUHHUSA-N 303.428 -0.226 30 20 DBED C=CCNC(=O)CNC[C@@H](C)N(C)C(=O)Cc1nonc1C 1753717458 PHKDMQOQBMSGTE-SNVBAGLBSA-N 309.370 -0.341 30 20 DBED CC#CCN[C@H]1CCN(C(=O)Cn2ccc(O)nc2=O)C[C@H]1C 1753756389 DFERGBNKAIAGGQ-OLZOCXBDSA-N 318.377 -0.201 30 20 DBED C[C@H](CCNCCNS(C)(=O)=O)NC(=O)C#CC1CC1 1753964855 OYOAZYUQPVKIEH-LLVKDONJSA-N 301.412 -0.567 30 20 DBED CC(C)C#CC(=O)NC[C@@]1(O)CCN(CC(=O)NCC(C)C)C1 1754748165 GEBVVHUYZPOBAB-KRWDZBQOSA-N 323.437 -0.029 30 20 DBED Cc1cn2ccnc(C(=O)NC[C@]3(O)CCN(CC#N)C3)c2n1 1754760267 NKIHPNJCAKKDKY-OAHLLOKOSA-N 314.349 -0.272 30 20 DBED C[C@@H](NCC(=O)NCC#N)[C@@H](C)NC(=O)c1cc[n+]([O-])cc1 1755225516 CFKBCXFMRTUQEH-GHMZBOCLSA-N 305.338 -0.944 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@H](C)CNC(=O)Cc1cc[nH]n1 1755293652 VAXXYZWVHBXFRZ-NEPJUHHUSA-N 305.382 -0.473 30 20 DBED C[C@@H](CNC(=O)COc1cccnc1)N(C)CC(=O)NCC#N 1755317950 MIYYREXCDZPZMI-LBPRGKRZSA-N 319.365 -0.463 30 20 DBED COCC#CCN(C)[C@@H](C)CNC(=O)c1cccnc1C(N)=O 1755328732 SZEVOFZLMLKLBD-LBPRGKRZSA-N 318.377 -0.120 30 20 DBED C#CCN[C@H](CCNC(=O)CN1CCCS1(=O)=O)C(C)C 1755551105 RWPKICVKSUAVHE-CYBMUJFWSA-N 315.439 -0.224 30 20 DBED C#CCCN[C@@H](CO)CNC(=O)c1cn2c(n1)C[C@@H](OC)CC2 1755631782 LGUMUHMQOJNPPA-OLZOCXBDSA-N 320.393 -0.452 30 20 DBED COCC#CCNC[C@@H](O)CN(C)C(=O)[C@H](C)n1cccn1 1755772489 CDOBGOLMPCPTNC-UONOGXRCSA-N 308.382 -0.497 30 20 DBED C#CCCNC[C@@H](O)CN(C)C(=O)CCn1cnccc1=O 1755791659 NQXFVWKCJZKUSN-CYBMUJFWSA-N 306.366 -0.934 30 20 DBED C=C[C@@](C)(O)CC(=O)N(C)C[C@@H](O)CN(C)Cc1cnon1 1755800159 FHZYHHQLCHYIIH-GXTWGEPZSA-N 312.370 -0.352 30 20 DBED C#CCCCC(=O)NC[C@@H](CO)NC(=O)c1[nH]cnc1CC 1756515687 NYTVCOKRPCLOQX-NSHDSACASA-N 306.366 -0.018 30 20 DBED C[C@H]1CCN(CC(=O)NC[C@@H](CO)NC(=O)C#CC(C)(C)C)C1 1756549958 KGIXQYFGOAWIDI-KBPBESRZSA-N 323.437 -0.029 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)c1ccnnc1 1756549977 KQELPGASJQCQJC-XQQFMLRXSA-N 320.349 -0.725 30 20 DBED C#CCCCC(=O)N(C)C[C@H](O)CNC(=O)Cn1ccnc1 1756660850 NWLOJMFSLZGYJJ-CYBMUJFWSA-N 306.366 -0.378 30 20 DBED C#Cc1cncc(C(=O)NC[C@H](O)CN(C)C(=O)[C@H](C)C#N)c1 1756676670 UILSIFWDJLPLRZ-RISCZKNCSA-N 314.345 -0.228 30 20 DBED C[C@]1(C(=O)O)CN(S(=O)(=O)c2cccc(C#N)n2)CCO1 1776507998 NDQPTKJVNCAMHM-GFCCVEGCSA-N 311.319 -0.183 30 20 DBED C[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)S)C[C@@H]21 1791056468 RVJYRSNRQJXSHC-OSUNSFLBSA-N 316.423 -0.335 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccncc1O 1798025606 MFNXAIQOQZQQMH-QHBPRCKVSA-N 315.329 -0.376 30 20 DBED COCC1(C(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)CC1 1841597395 YBVXPYDQZFCGGH-UHFFFAOYSA-N 320.345 -0.296 30 20 DBED Cn1cc(C(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)cn1 1842445627 PQOUAEMQKXMVTD-UHFFFAOYSA-N 316.317 -0.675 30 20 DBED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)C(C)=O)C1 1842609193 BGMZKEWQTWTEEX-WAYWQWQTSA-N 319.361 -0.363 30 20 DBED C[C@H](S)C(=O)N1CC2(CCCN2C(=O)[C@H]2CNC(=O)C2)C1 1846000969 LGEGIFLIDDVVNW-VHSXEESVSA-N 311.407 -0.356 30 20 DBED O=C1CC(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C#CC2CC2)=NN1 1847745934 GBAIKPOTPHWULK-STQMWFEESA-N 314.345 -0.523 30 20 DBED C#CCNC(=O)CN1C(=O)C(=O)N(CCc2cccs2)C1=O 19393774 GZJZGOHCMLALSN-UHFFFAOYSA-N 319.342 -0.169 30 20 DBED Cn1c(NCCOCC(F)(F)F)c(C#N)c(=O)n(C)c1=O 29078517 NEUSDPYFNPYLTH-UHFFFAOYSA-N 306.244 -0.054 30 20 DBED CN1CCO[C@H]2CN(CC(=O)N(CCC#N)CCC#N)C[C@@H]21 121135778 MANOYVSRYXUXRY-KBPBESRZSA-N 305.382 -0.343 30 20 DBED C=C(C)CN(CC)C(=O)CN1CCN2C(=O)C(=O)NC[C@H]2C1 152715217 FFPCHKUFESBNJO-LBPRGKRZSA-N 308.382 -0.946 30 20 DBED N#Cc1ccccc1S(=O)(=O)NC[C@H]1CN2CCN1CC2 178878700 CQXLJBFHQMAYSP-ZDUSSCGKSA-N 306.391 -0.164 30 20 DBED CCS(=O)(=O)CCNS(=O)(=O)c1cccnc1C#N 233833201 YFQYKAUZUKKGHD-UHFFFAOYSA-N 303.365 -0.334 30 20 DBED N#C[C@@H]1COCCN1C(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1 268062754 AODSEVHUMGPZMQ-SKDRFNHKSA-N 322.346 -0.533 30 20 DBED CNC(=O)CCCN(C)CC#CCN(C)CCCC(=O)NC 283925890 CKDGLPKXHPZUDM-UHFFFAOYSA-N 310.442 -0.094 30 20 DBED COC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(C#N)c(F)c1 292546118 JUUHUAXORJLPFC-SNVBAGLBSA-N 302.283 -0.490 30 20 DBED COC(=O)C1(CN/C(O)=N/C[C@H]2COCCO2)CCOCC1 330798693 GOZVTNMYRNFRIV-NSHDSACASA-N 316.354 -0.125 30 20 DBED C[C@H]1[C@@H](C)N(S(=O)(=O)N2CCO[C@@H](C#N)C2)CC[S@@]1=O 337090674 JZSZNWPHOKWQFH-UVHGVDOJSA-N 321.424 -0.703 30 20 DBED COCCN(CCC#N)S(=O)(=O)NC[C@]1(O)CCO[C@@H]1C 337166787 CDFYOSGJGLNUHG-VXGBXAGGSA-N 321.399 -0.777 30 20 DBED C[C@H](CO)N1CCCN(S(=O)(=O)N(C)[C@H](C)CC#N)CC1 337770904 OEHXZCYIAWQZSP-CHWSQXEVSA-N 318.443 -0.146 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC[C@@]2(C)CCOC2)C1=O 348025160 SZSXRLPBEPXGPF-MLGOLLRUSA-N 323.393 -0.226 30 20 DBED Cc1nc(NS(=O)(=O)CCCS(N)(=O)=O)ccc1C#N 349443967 BQEKFFQKMJJSEP-UHFFFAOYSA-N 318.380 -0.318 30 20 DBED N#CCN1CCN(C(=O)c2ccccc2OCC(N)=O)CC1 353650827 RVSITZCGDWBONF-UHFFFAOYSA-N 302.334 -0.168 30 20 DBED CN(CC(=O)N(CC#N)CC#N)S(=O)(=O)c1cccnc1 355268734 RXIMRMDBLKIFLW-UHFFFAOYSA-N 307.335 -0.422 30 20 DBED Cn1c(=O)c2cc(C(=O)NCC(C)(C)C#N)cnc2n(C)c1=O 359654249 RPIVTMFRZLLTFO-UHFFFAOYSA-N 315.333 -0.088 30 20 DBED C=CCNC(=O)CNC(=O)C(=O)Nc1cccc2c1CCO2 361906620 LKWYINNNFVDMHG-UHFFFAOYSA-N 303.318 -0.022 30 20 DBED CNS(=O)(=O)[C@H]1CCN(S(=O)(=O)N(C)[C@@H](C)CC#N)C1 369222914 CFMGYZIWRLSVII-UWVGGRQHSA-N 324.428 -0.911 30 20 DBED N#CC1(CCCN2CCN(S(N)(=O)=O)CC2)CCOCC1 407958460 QNPWRJAZKGAGOF-UHFFFAOYSA-N 316.427 -0.092 30 20 DBED CN1CCN(C(=O)CN2CCC(N(C)C(=O)CC#N)CC2)CC1 408314536 VGPYXRGTIRUFND-UHFFFAOYSA-N 321.425 -0.403 30 20 DBED C=CCCn1cc(C(=O)N(CCO)CCN2CCOCC2)nn1 424747082 YOQQQKBFVVFQMY-UHFFFAOYSA-N 323.397 -0.379 30 20 DBED N#CCNS(=O)(=O)c1ccccc1S(=O)(=O)NC1CC1 444046526 QNTNBFYAUPKLEF-UHFFFAOYSA-N 315.376 -0.071 30 20 DBED C#CCNC(=O)CCNCCS(=O)(=O)NCC1CCC1 491715520 QAZWMJALXUNLRY-UHFFFAOYSA-N 301.412 -0.565 30 20 DBED C[C@@H](CNC[C@H](O)CN(C)CCC#N)CN1CCN(C)CC1 520798439 VXKBYIFZYKUGAL-HOTGVXAUSA-N 311.474 -0.334 30 20 DBED C[C@@H](C#N)CN(C)C(=O)C(=O)N(CCN(C)C)CCN(C)C 572819101 QAHNYGSSLFQIJZ-ZDUSSCGKSA-N 311.430 -0.444 30 20 DBED C=CCC[C@H](NC(=O)Cn1nc(C)n(C)c1=O)C(=O)OCC 594368788 FXYQALKPVCRKNO-NSHDSACASA-N 310.354 -0.096 30 20 DBED N#Cc1ccc(CNC(=O)CN2CCC(O)(CO)CC2)cc1 595739230 YHLTUGCFMNXXPY-UHFFFAOYSA-N 303.362 -0.006 30 20 DBED C[C@@H](Cn1ccnc1)NC(=O)C(=O)N1CCN(CCC#N)CC1 602235632 FIBAQQAAQBRQDU-ZDUSSCGKSA-N 318.381 -0.554 30 20 DBED C[C@]1(CO)C[C@H](O)CN1CC(=O)NCc1ccc(C#N)cc1 602906284 ILBYJPHUOLJSNJ-GOEBONIOSA-N 303.362 -0.008 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)Cn2ccc(C(=O)OC)n2)C1=O 603044127 VLZBJMZOZZKOLK-LBPRGKRZSA-N 320.349 -0.085 30 20 DBED CC#CC[C@@H](CO)NC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C 649184109 CLLSNPUCGCMZSN-WDEREUQCSA-N 304.412 -0.159 30 20 DBED N#CCN(CC(=O)O)C(=O)CN1C(=O)COc2ccccc21 739076632 BCWFFZCGNRBNFD-UHFFFAOYSA-N 303.274 -0.151 30 20 DBED N#CCN1C(C(=O)O)=NC2=NS(=O)(=O)c3ccccc3N21 739085517 ICYSUVDHVQVMIZ-UHFFFAOYSA-N 305.275 -0.211 30 20 DBED CCN(C[C@@H](C)C#N)C(=O)CN1CCC(C(=O)NCCO)CC1 749676141 KLZXBFWAABRUNX-ZDUSSCGKSA-N 324.425 -0.185 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2cccc(OC)n2)CC1 752414175 SHXAUNZLUMNXLV-UHFFFAOYSA-N 316.361 -0.403 30 20 DBED C=CC(=O)NCCNC(=O)CNC(=O)c1ccc(C#N)cc1 771332276 AXAFBIKZZODQCT-UHFFFAOYSA-N 300.318 -0.294 30 20 DBED N#CCc1ccccc1CC(=O)N1CCN(C(=O)CO)CC1 777526827 XBSYSWDKTMTCKW-UHFFFAOYSA-N 301.346 -0.042 30 20 DBED C=CCN(CC=C)C(=O)COC(=O)CCS(=O)(=O)NC 783182729 BPBQROXKRNBNFI-UHFFFAOYSA-N 304.368 -0.331 30 20 DBED CC(=O)N1CC(C(=O)NS(=O)(=O)Cc2cccc(C#N)c2)C1 788357168 DYCZGCPGAYLXOU-UHFFFAOYSA-N 321.358 -0.017 30 20 DBED C#C[C@H](NC(=O)N1CCC(S(N)(=O)=O)CC1)[C@@H]1CCCO1 799976496 YMWHQHQAEOORAZ-RYUDHWBXSA-N 315.395 -0.370 30 20 DBED N#C[C@H]1COCCN1C(=O)[C@H](O)c1ccc(-c2nn[nH]n2)cc1 826380617 HUTWLPVFARJXAQ-NWDGAFQWSA-N 314.305 -0.349 30 20 DBED C#CCNc1nc(NC/C=C\CO)nc(NC/C=C/CO)n1 853794962 HEPRAFYUZCPCGQ-CIIODKQPSA-N 304.354 -0.163 30 20 DBED C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2COCO2)c1 861967414 YZEPHNZLKAZUCC-LBPRGKRZSA-N 324.358 -0.299 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)C[C@H]2CCN(C)C2)CC1 874342845 LTNXNVGZQPGOLY-CQSZACIVSA-N 306.410 -0.778 30 20 DBED C#CC[C@H](CCOC)NC(=O)NCCS(=O)(=O)NC1CC1 875102295 XZMQFXJQOKUAQS-LLVKDONJSA-N 317.411 -0.204 30 20 DBED CCN(C[C@@H](C)C#N)C(=O)CN(CC(N)=O)C1CCOCC1 880392584 GRZYOLBPBCPGJI-LBPRGKRZSA-N 310.398 -0.039 30 20 DBED C#CCSCC(=O)OCC(=O)N(C)CC(=O)NCCC 885892131 YFFCKDGEGNWKHM-UHFFFAOYSA-N 300.380 -0.119 30 20 DBED N#CCNC(=O)CNC(=O)NC[C@@H]1CCCN1CC(F)(F)F 922468486 XWJAJUWNUSBDNH-VIFPVBQESA-N 321.303 -0.048 30 20 DBED Cn1nnc(C(=O)N[C@H]2CCCCN(C(=O)C#CC3CC3)C2)n1 943449354 UZTAFLUHALNXQF-LBPRGKRZSA-N 316.365 -0.266 30 20 DBED COc1c(O)nc(O)nc1C(=O)N[C@H]1CCN(CC#N)C[C@H]1C 944136041 QVCRYHFQLJKLHE-BDAKNGLRSA-N 321.337 -0.140 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H]1CN(C(=O)C2CC2)CCO1 944646564 JGMQSACDHIBKAX-GJZGRUSLSA-N 319.405 -0.162 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CN2CCOCC2=O)C[C@H]1C 947399802 KYBMSLFWWHHPDN-ZIAGYGMSSA-N 307.394 -0.162 30 20 DBED CC[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)CC[C@H]1NC(=O)C(N)=O 948386557 VSTNQJXKIQKTGD-JOYOIKCWSA-N 317.349 -0.271 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1nnn(C)n1 951625407 WAIMCYWFWSYSSK-AXFHLTTASA-N 320.353 -0.868 30 20 DBED CN(C(=O)c1c[nH]c(C#N)c1)C1CN(C(=O)[C@H]2CCC(=O)N2)C1 954103587 RNTMFZWBYMRSQC-GFCCVEGCSA-N 315.333 -0.552 30 20 DBED C[C@H](C#N)C(=O)N1CC(N(C)C(=O)c2cccn(C)c2=O)C1 954914777 RNKJJQDRHQUDNJ-SNVBAGLBSA-N 302.334 -0.172 30 20 DBED CN(C(=O)c1nnn(C)n1)C1CN(C(=O)c2cc(C#N)c[nH]2)C1 955028617 MCINSDHGEPSERX-UHFFFAOYSA-N 314.309 -0.994 30 20 DBED CN1CC[C@H](C(=O)NC[C@@H]2CCCN2C(=O)C#CC2CC2)C1=O 956002247 JHHMVTDQEMEWTD-UONOGXRCSA-N 317.389 -0.015 30 20 DBED C[C@H](C#N)C(=O)N1CCC(C)(NC(=O)[C@H]2CN(C)C(=O)N2)CC1 956446054 PVZTWUNUWXCHRW-GHMZBOCLSA-N 321.381 -0.333 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@H](N2CCN(C(=O)C(N)=O)CC2)C1 956605153 ATSPYZKBCLLHMY-LBPRGKRZSA-N 322.409 -0.571 30 20 DBED CN1C[C@@H](C(=O)N[C@@]2(C)CCN(C(=O)C#CC3CC3)C2)NC1=O 957272491 LUESZAIEAIRRBN-LRDDRELGSA-N 318.377 -0.469 30 20 DBED N#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cccc3ncnn23)C1 958224869 YWAYYFPESSSWFY-CMPLNLGQSA-N 300.322 -0.725 30 20 DBED C=CCCn1cc(C(=O)NC[C@@H]2CN(CCOC)C[C@H]2O)nn1 958468384 XIEWJQPWSKNTEK-TZMCWYRMSA-N 323.397 -0.477 30 20 DBED C#CCCN1C[C@H](CNC(=O)c2ccc3nncn3c2)[C@@H](O)C1 958481125 NLHHVGUBGIBTTE-KBPBESRZSA-N 313.361 -0.225 30 20 DBED CC#CCN1C[C@@H](O)[C@H](CNC(=O)c2ccc(OC)nn2)C1 958571577 ZTFGQIUYSNXXHO-DGCLKSJQSA-N 304.350 -0.469 30 20 DBED C=CCN1C[C@H]2[C@H](NC(=O)Cc3c(C)nc(O)nc3O)[C@H]2C1 962126108 DABBVDJUYYPXOS-PJXYFTJBSA-N 304.350 -0.029 30 20 DBED CC#CCN1C[C@H]2C(NC(=O)CN3C(=O)NC(=O)C3(C)C)[C@@H]2C1 962192203 MHZJYBAFKWCNQD-GHMZBOCLSA-N 318.377 -0.614 30 20 DBED N#CCN1C[C@H]2C(NC(=O)c3cn([C@@H]4CCOC4)nn3)[C@@H]2C1 962221238 HTJCCXPALKGUKV-GMTAPVOTSA-N 302.338 -0.577 30 20 DBED N#CCN1C[C@H]2C(NC(=O)c3cn([C@H]4CCOC4)nn3)[C@@H]2C1 962221239 HTJCCXPALKGUKV-HBNTYKKESA-N 302.338 -0.577 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)CCc3cnn[nH]3)C[C@@H]2C1 962261235 USFDBTFVUGGZIM-UTUOFQBUSA-N 316.365 -0.186 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CC34CC4)C[C@@H]2O)c[nH]1 962392909 LCIPBJIAUXHHAE-XQQFMLRXSA-N 314.345 -0.012 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(C1)CN(C(=O)C(C)(C)C(N)=O)CCO2 965403890 IXZOFFINUYQXHO-JTQLQIEISA-N 322.365 -0.903 30 20 DBED N#Cc1cc(C(=O)N2CC[C@@H](N[C@@H]3CCC(=O)NC3=O)C2)c[nH]1 968448215 YTZHCDODIOVHGR-ZYHUDNBSSA-N 315.333 -0.504 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)C(C)(C)N2CCCC2)C1 969508072 AVSGWBHRDYLTEJ-UPJWGTAASA-N 322.409 -0.292 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)c3cnnn3C)C[C@@H]2O)C1 970394828 GTTQNZWQVZFXLK-PWSUYJOCSA-N 319.365 -0.527 30 20 DBED COc1cc(C(=O)N2CC[C@@]3(CN(CC#N)CCO3)C2)ncn1 972381269 ODHRCKXSJJMTDH-OAHLLOKOSA-N 317.349 -0.074 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)C[C@@H]3CCNC3=O)C2)C1 972411352 YTFYZWKTKUEPGL-XJKSGUPXSA-N 305.378 -0.551 30 20 DBED Cn1c(C(=O)N2CC[C@@]3(CN(CC#N)CCO3)C2)cnc1O 972494166 OSMPNFAOZTZKKQ-CQSZACIVSA-N 305.338 -0.434 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]2CCN(C(=O)Cn3nccn3)C[C@@H]21 975727896 UGJKQGJONDULBM-AGIUHOORSA-N 316.365 -0.113 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)c3cnc(O)n3C)[C@H]2C1 976959485 YFCOJTUSLMGXRZ-REIXXSIJSA-N 303.322 -0.528 30 20 DBED CNC(=O)[C@H](C)N1C[C@H]2C(CNC(=O)c3c[nH]c(C#N)c3)[C@@H]2C1 978063409 OJRGLBVGMLQIEG-HERUPUMHSA-N 315.377 -0.072 30 20 DBED C#CCCN1CCCC2(C1)CN(C(=O)[C@H]1CN(C)C(=O)N1)C2 981934424 DPKBMVGEWCQAEW-CYBMUJFWSA-N 304.394 -0.042 30 20 DBED CC(=O)NCc1cc(O)nc(CNC(=O)c2c[nH]c(C#N)c2)n1 984139278 HKNNOAXYGKTYQB-UHFFFAOYSA-N 314.305 -0.052 30 20 DBED C=CCCN1CCC[C@@H](NC(=O)CN2CCNC(=O)C2)[C@H]1C 993706709 XTMOEUFOJWILRC-ZIAGYGMSSA-N 308.426 -0.037 30 20 DBED C[C@H]1[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)CCCN1CC#N 994210220 LQOXWYVOANEJES-VHSXEESVSA-N 315.337 -0.476 30 20 DBED COCCn1nc(C(=O)N2CCC[C@H](NCC#N)C2)ccc1=O 999651888 UUTSIYNNAWRRJZ-LBPRGKRZSA-N 319.365 -0.393 30 20 DBED C=CCn1cc(C(=O)N2CCC[C@@H](N[C@@H](C)C(N)=O)C2)nn1 1000401630 FWKSUFXDYKYOQJ-WDEREUQCSA-N 306.370 -0.468 30 20 DBED COCCn1cc(C(=O)NCC2CN(C(=O)[C@H](C)C#N)C2)nn1 1001886001 UCLIZUAVNCPQLW-SNVBAGLBSA-N 320.353 -0.728 30 20 DBED C#CCCN1CCC(NC(=O)[C@@H]2Cc3cncn3C(=O)N2)CC1 1003366043 HMVWONJGWSKKLM-AWEZNQCLSA-N 315.377 -0.031 30 20 DBED CC#CCN1CCC(NC(=O)c2cn(C)c(=O)nc2O)CC1 1004135043 YTGZGJAYTHPTPL-UHFFFAOYSA-N 304.350 -0.297 30 20 DBED C[C@H](C#N)C(=O)N1CCCC2(CN(C(=O)[C@@H]3CNC(=O)N3)C2)C1 1010818828 XWYBJNYNSYYBOR-MNOVXSKESA-N 319.365 -0.722 30 20 DBED C#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(-n2cnnn2)cn1 1017767159 JGROLEWGBCAOFT-OKILXGFUSA-N 323.360 -0.021 30 20 DBED COCCn1nc(C(=O)N2CC[C@H](NCC#N)C2)ccc1=O 1019116596 GZGFHONCTIBKLV-NSHDSACASA-N 305.338 -0.783 30 20 DBED C#CCN1CC[C@H]2[C@H](CCCN2C(=O)C2CS(=O)(=O)C2)C1 1021597687 PYSNFEZKKFGQIF-OCCSQVGLSA-N 310.419 -0.023 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NCc2cn(C)nn2)C1 1022220810 QNOPOQFSFVBKOU-GUTXKFCHSA-N 316.409 -0.351 30 20 DBED C#CCN1CCC(C(=O)N[C@H]2C[C@@H](N[C@@H](C)C(N)=O)C2)CC1 1023128281 XHPDLYRZRPYSDT-FPMFFAJLSA-N 306.410 -0.558 30 20 DBED O=C(Cc1cncs1)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1024179934 SATJOUBSUBFLJP-CHWSQXEVSA-N 319.386 -0.213 30 20 DBED C=CCn1cc(C(=O)NC2CN(Cc3cnn(C)c3)C2)nn1 1031070296 XIYUKQIMXPJHGK-UHFFFAOYSA-N 301.354 -0.188 30 20 DBED N#CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1COCCN1CC(F)F 1032540344 CNJRVDLDSSRWBC-SDDRHHMPSA-N 314.336 -0.239 30 20 DBED CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N(C)[C@@H]2CCN(CC#N)C2)O1 1033423485 WIZTVLSEXKDONV-FRRDWIJNSA-N 308.382 -0.322 30 20 DBED CC#CCN1CCCC[C@H](NC(=O)CN2CC(=O)N(C)C2=O)C1 1034486473 KQSGZJWARAYYBY-ZDUSSCGKSA-N 320.393 -0.126 30 20 DBED C=C(Cl)CN1CCO[C@@H](CNC(=O)[C@H]2CCC(=O)N2)C1 1035314461 YAPIRWXMYRGKIY-WDEREUQCSA-N 301.774 -0.166 30 20 DBED C=CCCn1cc(C(=O)NC[C@H]2CN(CCO)CCO2)nn1 1035540083 WPGLQLMJQJGOSU-LBPRGKRZSA-N 309.370 -0.723 30 20 DBED Cn1nnc(CN2C[C@H]3C[C@H]2[C@H]3NC(=O)c2ccc(C#N)[nH]2)n1 1037365353 MYUKCIVSOMOODS-WLTAIBSBSA-N 312.337 -0.587 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@@](O)(CNC(=O)c2cn(C)nn2)C1 1039616558 TVHZBBUMMFYSGU-OAHLLOKOSA-N 321.381 -0.280 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)c2ccsn2)C1 1040169742 PZGSGZOWAKEAGC-TVQRCGJNSA-N 308.363 -0.004 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)C23CCN(CC2)C3)C1 1040356341 HOKDYOCFCOLMSO-LRDDRELGSA-N 320.393 -0.679 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]2OCC)C1 1041691329 SFGCKGONKZBLKU-CHWSQXEVSA-N 324.377 -0.859 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)[C@H]2CC(=O)N[C@@H](C)C2)C1 1041963018 FAYNHZOIZLQYQH-NWDGAFQWSA-N 323.393 -0.443 30 20 DBED Cc1ncc(C(=O)NCC2(O)CN(C(=O)C#CC3CC3)C2)[nH]1 1042079023 RSSYHZYWVDWGSK-UHFFFAOYSA-N 302.334 -0.565 30 20 DBED CC(C)OCC(=O)N1CC(O)(CNC(=O)c2c[nH]c(C#N)c2)C1 1042669166 HWKBUSWCNIUONY-UHFFFAOYSA-N 320.349 -0.386 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)Cc2ccco2)C1 1043039496 GUZOYRSVGKOPHE-LBPRGKRZSA-N 320.345 -0.450 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)[C@@]23COC[C@@H]2C3)C1 1043372114 WDNHJRFDAPSYAI-ZBEGNZNMSA-N 308.378 -0.075 30 20 DBED Cc1cnn(CCC(=O)NCC2(O)CN(C(=O)[C@@H](C)C#N)C2)c1 1043428312 YVEIKDBXJXQELO-LBPRGKRZSA-N 319.365 -0.569 30 20 DBED COc1ccc(C#N)cc1CN1CC(N(C)C(=O)C(N)=O)C1 1043714660 QSBPQXCZKCXZKK-UHFFFAOYSA-N 302.334 -0.305 30 20 DBED C=C(Cl)CN1CC(N(C)C(=O)[C@@H]2CCS(=O)(=O)N2)C1 1044306908 HENHMUPJGBKAHF-JTQLQIEISA-N 307.803 -0.427 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)[C@H]2C[C@@H]2C(=O)OC)C1 1044483927 DAVHATCQHQEKBX-QWRGUYRKSA-N 324.377 -0.303 30 20 DBED Cc1c[nH]c(C(=O)N[C@@H]2CN(c3cncc(C#N)n3)C[C@@H]2O)n1 1044634080 TVSXGEWTSBFPCX-MNOVXSKESA-N 313.321 -0.641 30 20 DBED Cc1cnn(C)c1C(=O)NCC1(O)CN(C(=O)[C@@H](C)C#N)C1 1044953581 NYHBKAXONDMKJU-VIFPVBQESA-N 305.338 -0.809 30 20 DBED C=C[C@H](C)[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2cnn(C)n2)C1 1044979480 FVZIJEUJHQALCN-WDEREUQCSA-N 321.381 -0.424 30 20 DBED CC[C@@H](C(=O)N1CC(O)(CNC(=O)[C@@H](C)C#N)C1)N(CC)CC 1045551411 IOJRXPXXIMWBAH-STQMWFEESA-N 324.425 -0.044 30 20 DBED C=CCN1CC[C@H](N2CCN(C(=O)[C@]3(C)CCNC3=O)CC2)C1 1046062450 UYJFEARGNGBBJH-WMLDXEAASA-N 320.437 -0.083 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(O)(CNC(=O)c2ccnnc2)C1 1047120975 CIWJLCLZEDAIPA-AWEZNQCLSA-N 320.349 -0.893 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)C(=O)N2CCC[C@@H]2CC)C1 1047588661 NTRRLUADCREOIZ-KKUMJFAQSA-N 321.421 -0.086 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2coc(C)n2)C1 1048725912 UXHABAKTGDWVDH-STQMWFEESA-N 323.349 -0.171 30 20 DBED C#CCN1C[C@H]2CN(C(=O)[C@H]3CC(=O)N(CCOC)C3)C[C@H]2C1 1048849713 SUMWFIUHAOFETL-SOUVJXGZSA-N 319.405 -0.495 30 20 DBED C#CCN1C[C@@H]2CCCN(C(=O)[C@@H]3CCS(=O)(=O)N3)[C@@H]2C1 1050204547 FPHSULATTCKBDW-RWMBFGLXSA-N 311.407 -0.766 30 20 DBED CC#CCN1CCOC[C@@H]1CNC(=O)c1cccn2nnnc12 1050935238 XZJGTWFQMGGKOY-LBPRGKRZSA-N 314.349 -0.422 30 20 DBED C=CCOCC(=O)N[C@H](C)[C@H]1CCN(C(=O)Cc2nc[nH]n2)C1 1051643747 JHZZJKSQHXEDPQ-NEPJUHHUSA-N 321.381 -0.097 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H]1CN(C(=O)C(F)F)C[C@@H]1C 1051707656 SQAXGOLWNKDZMI-VHSXEESVSA-N 315.320 -0.398 30 20 DBED N#Cc1nccnc1NC1CC(CNC(=O)[C@@H]2COC(=O)N2)C1 1051925980 FRQJRZVESSFZFJ-AMUVOQDHSA-N 316.321 -0.237 30 20 DBED C=CCN1CCN([C@H]2CCN(C(=O)CS(C)(=O)=O)C2)CC1 1051990988 ZCZMQYUCHDRUOH-ZDUSSCGKSA-N 315.439 -0.565 30 20 DBED Cn1cc(C(=O)N[C@@H]2CCCN(CC#N)CC2)c(=O)n(C)c1=O 1052762399 XEDHYZPEVOKSNZ-LLVKDONJSA-N 319.365 -0.808 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)Cc1cn(CC)nn1)CCO2 1053353746 YZIJCBJNQMQRBM-UHFFFAOYSA-N 317.393 -0.223 30 20 DBED CN(C)c1ccc(C(=O)N2CCOC3(CN(CC#N)C3)C2)nn1 1053511041 SKKJQKKBXTVUFI-UHFFFAOYSA-N 316.365 -0.407 30 20 DBED C#CCN1CC2(C1)CN(C(=O)[C@H](C)N1CCCCC1=O)CCO2 1053540809 HPXCOYIBXHPUAQ-AWEZNQCLSA-N 319.405 -0.066 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)c3ccc(O)nn3)CO2)C1 1053729482 OHGGYYQQPXPKBK-LLVKDONJSA-N 302.334 -0.221 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)[C@H]3CC(=O)N(CC)C3)CO2)C1 1053821084 UUSNZIIRAAYCIU-KBPBESRZSA-N 319.405 -0.162 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)[C@@H]3CCC(=O)NC3)CO2)C1 1053855313 KDQXBWSGEJXOIB-OLZOCXBDSA-N 305.378 -0.505 30 20 DBED C=C(C)CN1CC2(C[C@@H](NC(=O)CN3CCCNC3=O)CO2)C1 1053857454 FGYMUWIGCMWJOK-CYBMUJFWSA-N 322.409 -0.063 30 20 DBED C=C(C)CN1CC2(C[C@@H](NC(=O)C3CC(=O)NC(=O)C3)CO2)C1 1053955782 SEFBXKFWHITZAM-GFCCVEGCSA-N 321.377 -0.425 30 20 DBED C=CCN1CC2(C[C@H](NC(=O)[C@H]3COCCN3C(C)=O)CO2)C1 1054013200 QDWLBSRHKZYMQM-UONOGXRCSA-N 323.393 -0.621 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)[C@H]3CN(CC)CCO3)CO2)C1 1054014402 NTBZSQMENMJCHT-LSDHHAIUSA-N 321.421 -0.310 30 20 DBED C=CCN1CC2(C[C@H](NC(=O)[C@@H]3CCc4nncn4C3)CO2)C1 1054016815 KYTADLLWULRERF-OLZOCXBDSA-N 317.393 -0.014 30 20 DBED N#Cc1ccc(N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)Cn2ncnn2)nc1 1055392298 GEGLSBHFUYKJJI-UPJWGTAASA-N 324.348 -0.134 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@](CO)(NC(=O)c2ncccn2)C1 1056074910 PLZCWABAZMCIMS-NHYWBVRUSA-N 317.349 -0.280 30 20 DBED N#Cc1cnccc1N1C[C@H]2[C@H](NC(=O)[C@H]3CCC(=O)N3)[C@H]2C1 1056147720 QLXIGKQLXHFFGM-ZAZJYDDPSA-N 311.345 -0.217 30 20 DBED N#Cc1nccnc1N1C[C@H]2C(NC(=O)c3nccnc3N)[C@@H]2C1 1056152604 KXSVJJRBEUXRJD-RKDXNWHRSA-N 322.332 -0.415 30 20 DBED N#Cc1nccnc1N1C[C@@H]2C(NC(=O)[C@@H]3CCC(=O)N3)[C@H]2C1 1056261772 HAKVFCKVOZGUES-GUBZILKMSA-N 312.333 -0.822 30 20 DBED N#Cc1cncc(N2C[C@H]3C(NC(=O)Cc4nc[nH]n4)[C@@H]3C2)n1 1056299045 YZJRLJCVCBAXRC-NXEZZACHSA-N 310.321 -0.740 30 20 DBED N#Cc1cnc(N2C[C@H]3C(NC(=O)[C@@]45COC[C@@H]4C5)[C@@H]3C2)cn1 1056451382 RAGNXAHIXZYIJL-YVYGNJPRSA-N 311.345 -0.064 30 20 DBED CN(c1ccnc(C#N)n1)[C@@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 1057010624 AIEFYGAGTGQIHS-SNVBAGLBSA-N 314.349 -0.349 30 20 DBED C#CCO[C@H](C)C(=O)NCCN(CCO)C(=O)C1=COCCC1 1057176411 ZIQUOGGSTVLMBQ-CYBMUJFWSA-N 324.377 -0.344 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)Cc1cncn1C 1057193554 IYCPJGLPFCVZDI-UHFFFAOYSA-N 324.381 -0.898 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)[C@H]1CCNC(=O)C1 1057336134 VVXJKAWFENVDDM-ZDUSSCGKSA-N 323.393 -0.891 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)Cc1ccnn1C 1057453790 VTBNNKHHTVBESL-UHFFFAOYSA-N 308.382 -0.134 30 20 DBED N#Cc1nccnc1N1CCC[C@@H](NC(=O)Cn2nccn2)C1 1058200203 WRJADQHODVIVDW-LLVKDONJSA-N 312.337 -0.275 30 20 DBED C=C[C@@H](C)[C@@H](C)C(=O)N(CCO)CCNC(=O)c1cnn(C)n1 1058434989 BRRMQTPDKIRQCN-VXGBXAGGSA-N 323.397 -0.176 30 20 DBED Cc1ccnc(C(=O)NCCN(CCO)C(=O)[C@H](C)C#N)n1 1058653372 TYTXZOHLQNGYRB-SNVBAGLBSA-N 305.338 -0.505 30 20 DBED CCn1cc(C(=O)NCCN(CCO)C(=O)[C@H](C)C#N)nn1 1058655151 RUOULXQZNNXOAN-SNVBAGLBSA-N 308.342 -0.992 30 20 DBED N#Cc1cncc(N[C@H]2C[C@H](NC(=O)[C@H]3CCCNC3=O)C2)n1 1059325356 FIHODVRKKJTZBE-NHCYSSNCSA-N 314.349 -0.066 30 20 DBED C#CCOCCC(=O)N1CCOC[C@@H]1CNC(=O)[C@H]1CCCO1 1061247176 BWUYEKHZUUOUAP-UONOGXRCSA-N 324.377 -0.451 30 20 DBED C=CCCC(=O)NC[C@H]1COCCN1C(=O)[C@H]1CC(=O)N(C)C1 1061401818 NAJQGICVTPMMMH-STQMWFEESA-N 323.393 -0.226 30 20 DBED C=CCCC(=O)NC[C@H]1COCCN1C(=O)Cc1nc[nH]n1 1061409799 FMIXOVLEOVLBBM-NSHDSACASA-N 307.354 -0.343 30 20 DBED C=CCOCC(=O)N1CCOC[C@H]1CNC(=O)c1cocn1 1061420106 UVGLQSADOJMVRV-LLVKDONJSA-N 309.322 -0.166 30 20 DBED CC(C)C#CC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1CCNC1=O 1061749483 ZVAPBWNDSKRSHK-QWHCGFSZSA-N 321.377 -0.875 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)C[C@H]2CCNC2=O)CCC1 1064305582 UWHYMGXWSMMTDZ-WDEREUQCSA-N 306.366 -0.173 30 20 DBED Cc1ncncc1C(=O)N1CCO[C@@H](CNC(=O)[C@H](C)C#N)C1 1064903463 DMXFGOQVURJILI-PWSUYJOCSA-N 317.349 -0.098 30 20 DBED C=CCC(CC=C)C(=O)NC[C@H]1CN(C(=O)C(N)=O)CCO1 1065551222 SXTUPTNBJFOLHH-LBPRGKRZSA-N 309.366 -0.416 30 20 DBED C=C[C@@](C)(CC)C(=O)N1CCO[C@@H](CNC(=O)CC(N)=O)C1 1065578822 TYHQTRDVEUKGPK-NHYWBVRUSA-N 311.382 -0.192 30 20 DBED C=CCOCC(=O)N1CCC[C@@H](NC(=O)Cn2cnnn2)CC1 1065830599 GTVLRBOCVWMJRE-GFCCVEGCSA-N 322.369 -0.627 30 20 DBED N#Cc1ccc(NC[C@H]2C[C@H](NC(=O)[C@@H]3CNC(=O)N3)C2)nn1 1068572712 CWSXBURRGAKSCN-LSJOCFKGSA-N 315.337 -0.664 30 20 DBED C=CCOCC(=O)N1CC2(C[C@H](NC(=O)[C@@H]3CCOC3)CO2)C1 1068739719 QRILXORCKPYCMH-OLZOCXBDSA-N 324.377 -0.288 30 20 DBED C=CCO[C@H](C)C(=O)N1CCC[C@@]2(CCN(C(=O)C(N)=O)C2)C1 1069759980 LHXMJJXPOBDBOM-MLGOLLRUSA-N 323.393 -0.096 30 20 DBED C#CCN1CCn2ncc(CNC(=O)[C@@H]3[C@H]4COC[C@H]43)c2C1 1069870444 UJRLXCMWHKGGQX-NHAGDIPZSA-N 300.362 -0.160 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2cn(C)c(O)n2)C1 1070017839 COBRASDMULDHIN-PWSUYJOCSA-N 315.337 -0.994 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)c2cnnn2C)CCOCC1 1070096976 WMCWTXVWZLGLQH-SNVBAGLBSA-N 320.353 -0.630 30 20 DBED N#CCN[C@@H]1CN(C(=O)c2cc(F)c[nH]2)C[C@@H]1n1ccnn1 1070237053 ZCRMIJWGSBHADF-NEPJUHHUSA-N 303.301 -0.076 30 20 DBED Cn1cnc([C@@H]2CN(C(=O)c3cnn[nH]3)C[C@H]2NCC#N)c1 1070509225 ZNEQACJMUXKIGF-JOYOIKCWSA-N 300.326 -0.740 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2nonc2C)C[C@H]1c1cn(C)cn1 1070570357 KVWINMBLDNSVJG-WCQYABFASA-N 314.349 -0.057 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CCCN(C(=O)c2cn(C)c(=O)n2C)C1 1070893857 WIHJTRRSCPEGAJ-WDEREUQCSA-N 319.365 -0.396 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)[C@H]2COCCN2C)CC1 1070957419 CLFYRHSTMIFXHN-CQSZACIVSA-N 324.425 -0.847 30 20 DBED C[C@@H]1CN(C(=O)CNC(N)=O)C[C@@H]1NC(=O)c1ccc(C#N)[nH]1 1071573696 HNHQPTQLHDOLNE-KCJUWKMLSA-N 318.337 -0.869 30 20 DBED C=CCOCC(=O)N[C@H]1CN(C(=O)c2nccnc2N)C[C@@H]1C 1071834425 XSEBQHOPWACLLL-QWRGUYRKSA-N 319.365 -0.162 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2CN(CC(N)=O)CCCO2)nc1 1073859994 YWOPJBCFBKRQGK-CYBMUJFWSA-N 316.361 -0.631 30 20 DBED C=CCOCC(=O)NCC[C@H](C)NC(=O)C[C@H](C)NC(N)=O 1075919193 XMLUDSQYBTWFGQ-QWRGUYRKSA-N 314.386 -0.353 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CN(Cc3cnns3)C[C@H]2O)[nH]1 1076898296 CAXNRECCLWBKRM-VXGBXAGGSA-N 318.362 -0.287 30 20 DBED C=CCN[C@@H]1C[C@H](NC(=O)Cn2ncn(C)c2=O)C12CCC2 1078663512 ODQYGRWRTGSPGI-NEPJUHHUSA-N 305.382 -0.215 30 20 DBED C#CCN[C@H]1C[C@@H](NC(=O)c2cnc(O)n(C)c2=O)C12CCC2 1078698542 REFTYZRYBBWKDG-NWDGAFQWSA-N 316.361 -0.250 30 20 DBED C#CCOCCC(=O)N1CC(N(CC)C(=O)Cc2nc[nH]n2)C1 1080593666 JZATULWAXHRVBQ-UHFFFAOYSA-N 319.365 -0.554 30 20 DBED C[C@@H](C#N)C(=O)NC1(CO)CCN(C(=O)Cc2cc[nH]n2)CC1 1080980660 ZVOQEFJRASEPEA-NSHDSACASA-N 319.365 -0.418 30 20 DBED Cn1nccc1C(=O)N1C[C@@H](O)[C@@H](CNC(=O)C#CC2CC2)C1 1081471451 NQSBNNWVOXLEBJ-GXTWGEPZSA-N 316.361 -0.617 30 20 DBED Cn1cnc(C(=O)N2C[C@H](O)[C@H](CNC(=O)C#CC3CC3)C2)c1 1081472581 ZQJMFQIYVLXHDT-OCCSQVGLSA-N 316.361 -0.617 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cc(CN(C)C)on1 1083127050 WOJLOBHEYXDMIS-LSDHHAIUSA-N 318.377 -0.105 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)c2cnc3n2CCOC3)C1 1083540832 BJHJDFGUWNKKPD-YPMHNXCESA-N 304.350 -0.789 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)CC2CS(=O)(=O)C2)C1 1083583247 YXQQPSOPVNEROY-NEPJUHHUSA-N 302.396 -0.842 30 20 DBED CCC(=O)NCC(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@H]1O 1090388600 BRXKBMLSXKNRJO-DGCLKSJQSA-N 317.349 -0.855 30 20 DBED CC(C)(O)CC(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1O 1090412631 BXLBQPZKDSSZQA-GHMZBOCLSA-N 305.338 -0.825 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@H]1O 1090495643 WTMCNACMIYIDRN-ZIAGYGMSSA-N 314.345 -0.341 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CN(c2ccc(C#N)c(C)n2)C[C@@H]1O 1091096748 YZDHEAOOOUXNPJ-NEPJUHHUSA-N 317.349 -0.937 30 20 DBED CC(C)C[C@@H](C(N)=O)C(=O)NCCN=c1cc[nH]c(C#N)n1 1093713233 CEFYIQOUWHMECO-JTQLQIEISA-N 304.354 -0.554 30 20 DBED Cc1nc2nccc(C(=O)NCCNc3cncc(C#N)n3)n2n1 1093760199 UHHCBJWPTNIGKN-UHFFFAOYSA-N 323.320 -0.064 30 20 DBED C#CCN1CC(n2cc(CNC(=O)C3=COCCO3)nn2)C1 1094270656 FAAKGSSFRANKPK-UHFFFAOYSA-N 303.322 -0.728 30 20 DBED C[C@@H]1CCN(C(=O)C(=O)NCCCN=c2cc[nH]c(C#N)n2)C1 1094582439 ZQWRRVXZJJTBRP-LLVKDONJSA-N 316.365 -0.443 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)c3ccc(C)nn3)CC2=O)C1 1094735511 QIJZIOKHJKASDA-GFCCVEGCSA-N 313.361 -0.567 30 20 DBED CC(=O)N[C@@H](C)C(=O)N1CC[C@@H](N(C)c2ccnc(C#N)n2)C1 1095090603 RSOFFRIRLJUKAL-CMPLNLGQSA-N 316.365 -0.090 30 20 DBED COCCOCC(=O)NCCCN(C)c1ccnc(C#N)n1 1095507172 KFGBEZLBEFAGOJ-UHFFFAOYSA-N 307.354 -0.046 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cn1ccc(O)nc1=O 1095703283 PGFSSXRFFKSYGC-WOPDTQHZSA-N 302.334 -0.696 30 20 DBED C[C@H](CNC(=O)c1cccc(=O)n1C)N=c1cc[nH]c(C#N)n1 1098272255 DJABJUIZUHLPSR-SNVBAGLBSA-N 312.333 -0.301 30 20 DBED C#CCN(CCO)C1CCN(C(=O)[C@@H]2CC[C@@H]2C(N)=O)CC1 1098447302 GONVMORJTZOAOE-UONOGXRCSA-N 307.394 -0.584 30 20 DBED C=CCNC(=O)CNCc1cn([C@@H]2CCN(C(C)=O)C2)nn1 1098588373 KEFMUCFMZHCLIT-CYBMUJFWSA-N 306.370 -0.537 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)[C@H]1C[C@H]1C(N)=O)C[C@H](C)O2 1098639487 XPPONSKSWQKWQX-MJBXVCDLSA-N 319.405 -0.177 30 20 DBED N#CCNCc1cn([C@@H]2CCN(C(=O)c3ncc[nH]3)C2)nn1 1098673609 SICKYTNKSUNKBF-LLVKDONJSA-N 300.326 -0.298 30 20 DBED C=CCN1C[C@@H]2CCC[C@]2(NC(=O)Cn2ncn(C)c2=O)C1 1098912842 VPAYZNSLSYUWBQ-WFASDCNBSA-N 305.382 -0.262 30 20 DBED C[C@H](CCNC(=O)Cn1cncn1)Nc1cncc(C#N)n1 1099147076 JLDYHXFQTWNGNO-SNVBAGLBSA-N 300.326 -0.053 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)c2ccco2)[C@H](O)C1 1099622605 AQGKQTQVBFFTMJ-VXGBXAGGSA-N 305.334 -0.806 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)c2cnnn2CC)[C@@H](O)C1 1099807828 WIEDMBZDUOAQKE-OCCSQVGLSA-N 323.397 -0.334 30 20 DBED C#CCN1CC[C@@H](NC(=O)CCCN2C(=O)CCC2=O)[C@@H](O)C1 1099864711 UEIIKFNWOWGABI-OLZOCXBDSA-N 321.377 -0.900 30 20 DBED C=CCC(C)(C)C(=O)N[C@H]1CCN(CC(=O)NCC#N)C[C@@H]1O 1100021138 YPCQVSJVAQJTQU-STQMWFEESA-N 322.409 -0.220 30 20 DBED CC#CCN1CC[C@H](NC(=O)C2(C(=O)NC)CCC2)[C@H](O)C1 1100085835 RJRGWMBJQZBKJH-QWHCGFSZSA-N 307.394 -0.523 30 20 DBED CC#CCNC1CC(CNC(=O)CN2C(=O)NC(C)(C)C2=O)C1 1100941097 PDJGOEIHCZBRHM-UHFFFAOYSA-N 320.393 -0.176 30 20 DBED Cn1nnc(C(=O)NCCN(c2cncc(C#N)n2)C2CC2)n1 1101424151 ZUCIGPJBGVFSQK-UHFFFAOYSA-N 313.325 -0.729 30 20 DBED C[C@@H]1CN([C@H]2CCNC2=O)C[C@H]1CNC(=O)CSCC#N 1101736118 OJOYFMJQRXNEIB-UTUOFQBUSA-N 310.423 -0.184 30 20 DBED COCC#CCN1C[C@@H](C)[C@H](CNC(=O)[C@H]2CCNC(=O)C2)C1 1101868863 QPOZAPKJZWFEEC-QLFBSQMISA-N 321.421 -0.154 30 20 DBED C#CCNCc1cn(C2CN(C(=O)Cc3cnc(C)o3)C2)nn1 1105256522 HPUIJBZXFUQIKW-UHFFFAOYSA-N 314.349 -0.077 30 20 DBED Cc1cc(=NC[C@H](O)CNC(=O)[C@H]2CCOC2)c(C#N)c[nH]1 1105737951 MGLZHYJBGBYLFU-AAEUAGOBSA-N 304.350 -0.391 30 20 DBED Cc1ncc(C(=O)NC[C@@H](O)CN=c2cc[nH]cc2C#N)[nH]1 1105750081 HBFWSSUPZNBHOB-NSHDSACASA-N 300.322 -0.391 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)c2ccnc(O)c2)nn1 1105818628 NMUYFUJKBSPFST-LLVKDONJSA-N 314.305 -0.348 30 20 DBED Cc1ccc(CC(=O)NC[C@@H](O)CN=c2cc[nH]c(C#N)n2)o1 1105826305 CFFUSJGOKXEMHP-NSHDSACASA-N 315.333 -0.197 30 20 DBED Cn1nncc1C(=O)NC[C@H](O)CNc1ccc(C#N)nc1 1105834169 WCPMRSLEPXBGPM-LLVKDONJSA-N 301.310 -0.715 30 20 DBED CN(C)CC1(C(=O)NC[C@H](O)CN=c2cc[nH]cc2C#N)CC1 1106100867 ZCGHEOXEYYHPHN-CYBMUJFWSA-N 317.393 -0.394 30 20 DBED CNC(=O)NCCC(=O)N[C@H](C)CCNc1ccc(C#N)nn1 1106316792 ISIZSZIMTSLYCT-SNVBAGLBSA-N 319.369 -0.026 30 20 DBED CNC(=O)NCCC(=O)NC/C=C\CNc1cncc(C#N)n1 1107152135 YTPRHVVACRTEQE-IHWYPQMZSA-N 317.353 -0.248 30 20 DBED CCS(=O)(=O)CC(=O)NC/C=C/CN=c1cc[nH]cc1C#N 1107222667 QJXQZWZEUDBXNO-ONEGZZNKSA-N 322.390 -0.106 30 20 DBED C=CCOCC(=O)NC[C@]1(C)CN(C[C@@H](O)COC)CCO1 1107812241 ZKQBSETUZALTNT-UKRRQHHQSA-N 316.398 -0.597 30 20 DBED C[C@H](CN(C)c1ccc(C#N)nn1)NC(=O)[C@H]1COC(=O)N1 1108927704 XIUZFGMMJGFMFQ-PSASIEDQSA-N 304.310 -0.602 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H]1COCCN1C 1109157851 CPMRFOOISKMJCT-FXUDXRNXSA-N 321.421 -0.312 30 20 DBED CNC(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC#CCOC 1109376437 XWEBBHFARNPMDK-AGIUHOORSA-N 308.382 -0.713 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cc1ncc[nH]1 1109881412 RFIQRGVZFVNCFV-AGIUHOORSA-N 315.377 -0.577 30 20 DBED N#Cc1ccc(NC2(CNC(=O)[C@@H]3CCC(=O)NC3)CC2)nn1 1110402271 DJIWVNUGLAYXAI-SNVBAGLBSA-N 314.349 -0.065 30 20 DBED C[C@@]1(CN=c2cc[nH]cc2C#N)CCN(C(=O)CNC(N)=O)C1 1110829556 ZHHHBUFTQMCEAN-HNNXBMFYSA-N 316.365 -0.306 30 20 DBED CO[C@@H](C)C(=O)NC[C@@]1(O)CCN(c2ccc(C#N)nn2)C1 1111027054 ZORZDDQUDCZWJJ-HZMBPMFUSA-N 305.338 -0.559 30 20 DBED CC(C)[C@@H](O)C(=O)N(C)[C@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1111181451 WLJGNMGPJAWBAZ-SGMGOOAPSA-N 319.365 -0.627 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@]1(CO)CCCN(c2ncccn2)C1 1111361588 UAYADRLCLRXZBA-XJKSGUPXSA-N 318.377 -0.038 30 20 DBED CCOCC(=O)NC1(CO)CCN(c2cncc(C#N)n2)CC1 1112647823 AHBBCXQXIJDFEX-UHFFFAOYSA-N 319.365 -0.168 30 20 DBED COCCC(=O)NC[C@@H]1CN(c2nc(C)cc(C#N)n2)C[C@@H]1O 1112689175 JMHMCPYOPWRFNK-YPMHNXCESA-N 319.365 -0.394 30 20 DBED COCCOCC(=O)N[C@H](C)[C@H](C)N=c1cc[nH]c(C#N)n1 1112934527 ZSMSQZOKMYOHMS-WDEREUQCSA-N 307.354 -0.262 30 20 DBED C[C@@H](N=c1cc[nH]c(C#N)n1)[C@@H](C)NC(=O)C1(C(N)=O)CC1 1113273302 AHMFKSAFOZGIAY-RKDXNWHRSA-N 302.338 -0.659 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCCC(=O)N1)N(C)c1cnc(C#N)cn1 1113748419 BRTSKKLGNWFQMH-CMPLNLGQSA-N 316.365 -0.042 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3cn(C)nc3C)[C@H]2C1 1114081565 AMHQRXBUSGKDPX-NHAGDIPZSA-N 317.393 -0.309 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)c3cc(OC)no3)[C@@H]2C1 1114155665 QKPBWQQDUUFYET-GHMZBOCLSA-N 305.334 -0.007 30 20 DBED C=C(C)C(C)(C)C(=O)NC1[C@@H]2CN(CC(=O)NC(N)=O)C[C@@H]12 1114680189 FRZDRLGTLYTRBX-NXEZZACHSA-N 308.382 -0.170 30 20 DBED Cc1cnn(C)c1C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1114708020 SXSQBNXWXIUUGI-PJXYFTJBSA-N 316.365 -0.972 30 20 DBED C#CCN1C[C@H]2[C@H](NC(=O)[C@H](Cc3cnc[nH]3)NC(C)=O)[C@H]2C1 1114770046 MSPIVABIIZRHKH-LJISPDSOSA-N 315.377 -0.864 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@H]3CC[C@@H](C)O3)[C@H]2C1 1114855719 CFSQQRNZONSIRR-VVSAWPALSA-N 307.394 -0.098 30 20 DBED C=CCCOCC(=O)NC1[C@@H]2CN(Cc3nncn3C)C[C@@H]12 1115323944 HWCRNZBUXDAYNP-VXGBXAGGSA-N 305.382 -0.046 30 20 DBED Cc1cc(C#N)nc(N[C@H](C)CN(C)C(=O)c2nnn(C)n2)n1 1120502310 OGCBVKPSYRGZLO-SECBINFHSA-N 315.341 -0.247 30 20 DBED C#CCOCCC(=O)NC1CC2(C1)CC(N[C@@H](C)C(N)=O)C2 1121102302 DOHHXDJOSIWOAR-KWDKGFIESA-N 307.394 -0.083 30 20 DBED C=CCOCc1nnc(N2CCO[C@H](C(N)=O)C2)n1CC=C 1121560295 GXQRJKFEAJOBPU-NSHDSACASA-N 307.354 -0.143 30 20 DBED CN1CC[C@@H](C(=O)NC[C@H](CO)Nc2ncccc2C#N)C1 1121590113 IKEYRORJYDBORT-CHWSQXEVSA-N 303.366 -0.206 30 20 DBED CN1CC[C@@H](CC(=O)NC[C@H](CO)Nc2ccc(C#N)nn2)C1 1121806447 LUGZYCOATGFKOI-WCQYABFASA-N 318.381 -0.421 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)[C@@]2(F)CCOC2)nn1 1122411068 NRDJJLAHXPEYHM-GXFFZTMASA-N 309.301 -0.634 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)c1cc[nH]c1 1124808511 DPUQDWPIUFTPLL-LLVKDONJSA-N 300.322 -0.357 30 20 DBED C[C@H](NCCNC(=O)C#CC1CC1)C(=O)NC(=O)NC1CC1 1126886496 VFXQLDUBTGRUGT-JTQLQIEISA-N 306.366 -0.518 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1cc(C2CC2)nn1C 1128490871 CJKOFWGJKMBNIK-NSHDSACASA-N 317.393 -0.245 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)COc1cc(C)on1 1129916121 YWBVAZGOGDCYJG-LLVKDONJSA-N 310.354 -0.242 30 20 DBED CC(=O)NCC(=O)NCc1nc([C@H]2C[C@H](F)CN2CC#N)n[nH]1 1131140087 KUTWLVCIPUGCBP-VHSXEESVSA-N 323.332 -0.835 30 20 DBED C[C@H]1CC[C@@H](NC(=O)CSCC#N)CN1Cc1nnnn1C 1131866114 UNFOZQDKUYSMDW-WDEREUQCSA-N 323.426 -0.064 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)CCc1nc(C)no1 1132120903 CUSDWXLBLZVKSB-SNVBAGLBSA-N 309.370 -0.293 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1ncoc1[C@H]1CCCO1 1132355490 AXEVGEPHIDNEMD-SNVBAGLBSA-N 321.337 -0.515 30 20 DBED N#CCNC(=O)CNCCNC(=O)Cc1c[nH]c2cnccc12 1132841127 WWVKXMUTIBCJJF-UHFFFAOYSA-N 314.349 -0.549 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)c1cccc(=O)n1C 1133646612 TZDSWPAEWOMYIJ-NSHDSACASA-N 306.366 -0.605 30 20 DBED C#CCNC(=O)CNCCNC(=O)Cc1cn(C)nc1Cl 1133793559 POKSBRVVAOKZBM-UHFFFAOYSA-N 311.773 -0.929 30 20 DBED C#CCCN[C@H](C)C[C@@H](C)NC(=O)CN1CCN(C)C(=O)C1 1134787269 JQGGTXQDODDLFD-ZIAGYGMSSA-N 308.426 -0.343 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cccc(OC(C)C)n1 1136024166 DPWBYROTALRCEV-UHFFFAOYSA-N 318.377 -0.062 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1cnn2c1CCCC2 1146776169 CZZIDFWOGODKCM-LBPRGKRZSA-N 317.393 -0.323 30 20 DBED N#CCNC(=O)CN1CCC2(C1)CN(C(=O)c1cocn1)C2 1147187246 IELMYSZTKZMJHJ-UHFFFAOYSA-N 303.322 -0.538 30 20 DBED N#CCNC(=O)CN1CCC2(C1)CN(C(=O)Cc1ccon1)C2 1147266335 GTOFFRGHJKPFFP-UHFFFAOYSA-N 317.349 -0.609 30 20 DBED C#CCNC(=O)CN1CCCO[C@H](CNC(=O)[C@H]2CC2(C)C)C1 1149541046 FUTRNBJPZAYLOX-ZIAGYGMSSA-N 321.421 -0.011 30 20 DBED N#Cc1ccc(CN2CCCO[C@@H](CNC(=O)C(N)=O)C2)s1 1150212620 UBFNJMYUEONVPT-JTQLQIEISA-N 322.390 -0.188 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)NCCCNC(=O)[C@@H](C)C#N 1155860937 ZRQWADICSYBBHB-WDEREUQCSA-N 309.370 -0.358 30 20 DBED C#CCCN(CC)[C@H](C)CNC(=O)CN1C(=O)CN(C)C1=O 1156787699 NMBDKZLICBTIGL-GFCCVEGCSA-N 308.382 -0.270 30 20 DBED C#CCOCCC(=O)NCCCNCC(=O)NCCOCC 1157859325 HQUYYHAKZIIYMU-UHFFFAOYSA-N 313.398 -0.725 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)CCCn1ccnn1 1159702581 GXSLVFLQSXNIHJ-ZDUSSCGKSA-N 322.413 -0.155 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)c1n[nH]c2c1CCC2 1161701552 ZNDKPKIFDNDEKP-NSHDSACASA-N 317.393 -0.254 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)[C@]2(F)CCOC2)C1=O 1164559472 POELEGUPFGEMJZ-DOMZBBRYSA-N 313.373 -0.002 30 20 DBED C=CCCNCC1(CCNC(=O)CN2C(=O)CNC2=O)CC1 1168024165 YVRLXWKTTMSJIB-UHFFFAOYSA-N 308.382 -0.010 30 20 DBED COCC#CCNCCCNC(=O)[C@H]1CCCCN(C)C1=O 1171020571 XEAKRMFOYNUSCV-CQSZACIVSA-N 309.410 -0.009 30 20 DBED N#CCNC(=O)CNCCCNC(=O)C[C@H]1CCCCC(=O)N1 1174665997 GQKWVOXBBXOEHP-GFCCVEGCSA-N 323.397 -0.829 30 20 DBED N#CCNC(=O)CNCCCNC(=O)[C@@H]1Cc2cccnc2C1 1174746293 QSRLLTWQWDOPIL-CYBMUJFWSA-N 315.377 -0.468 30 20 DBED N#CCNC(=O)CNCCCCCCNC(=O)C1=COCCO1 1177835655 IBZNZJGOZUKEDF-UHFFFAOYSA-N 324.381 -0.219 30 20 DBED C=CCCN[C@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)[C@H]1C 1180143157 IWVXDSCKPNRJOV-SRVKXCTJSA-N 301.412 -0.167 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2cnn(CC)c2)C1 1181709595 SPDIMAPXWJGPKE-CYBMUJFWSA-N 303.366 -0.544 30 20 DBED COC(=O)C1(C#N)CCN(C(=O)CN(C)S(C)(=O)=O)CC1 1182877896 ZSRAUULKXQJIRG-UHFFFAOYSA-N 317.367 -0.817 30 20 DBED C[C@H]1CN(C(=O)c2ccc(=O)n(C)n2)CC[C@@H]1CNCC#N 1185642940 VWFCFQLQSPQYCN-NWDGAFQWSA-N 303.366 -0.008 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)Cc2ccon2)C1 1189469895 AGWINZSZKWKYNW-CYBMUJFWSA-N 304.350 -0.501 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)C[C@H]2CCOC2)C1 1189489329 IXTNPOUPRCZZCN-KGLIPLIRSA-N 307.394 -0.305 30 20 DBED COc1cncc(CN2C[C@@H](O)[C@H](NC(=O)C#CC(C)C)C2)n1 1192761693 MCBUKYIEDGMTLE-ZIAGYGMSSA-N 318.377 -0.194 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2oncc2C)C1 1193228564 OVIMKPXEOPCWHS-GFCCVEGCSA-N 304.350 -0.121 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)c2cc(COC)on2)C1 1196710110 RBDLCJLCMIECPS-ZIAGYGMSSA-N 323.349 -0.754 30 20 DBED C#CCN1CCC(C(=O)N2CCCO[C@@H](CNCCO)C2)CC1 1202141927 UEENCVGRMDVNBE-INIZCTEOSA-N 323.437 -0.469 30 20 DBED N#CCNC(=O)CNCC1CCN(C(=O)c2cc[nH]n2)CC1 1204551816 LHKSWWQLKINSOB-UHFFFAOYSA-N 304.354 -0.509 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)c2cn[nH]c2)C1 1207491195 ZVVGEJZBLMKBJG-DGCLKSJQSA-N 303.366 -0.258 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)c2ccnnc2)[C@H](C)C1 1208878379 VAVGQMMUFZSPGG-MBNYWOFBSA-N 315.377 -0.335 30 20 DBED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)c1ccccn1 1211761356 ABLCOSAZSUNSIT-CHWSQXEVSA-N 317.349 -0.850 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(CC(=O)NC2CC2)C[C@H]1OC 1212187006 GWADWDNQPMZCCG-ZIAGYGMSSA-N 307.394 -0.116 30 20 DBED CC#CCN1C[C@@H](NC(=O)COC[C@@H]2CCOC2)[C@H](OC)C1 1213507113 XZSJGSXRNGCJOB-RBSFLKMASA-N 310.394 -0.122 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2C)C[C@H]1C 1215336098 OVJRZLCWHHWDNA-UPJWGTAASA-N 322.409 -0.654 30 20 DBED C#CCCN[C@@H]1CN(C(=O)COCc2ncnn2C)C[C@H]1C 1216161230 HKTCWMAJRRSITI-CHWSQXEVSA-N 305.382 -0.209 30 20 DBED C=CCO[C@H](C)C(=O)N1C[C@@H](NCc2nc(=O)n(C)[nH]2)[C@H](C)C1 1216930283 LDQMQVCJZGAYOL-IJLUTSLNSA-N 323.397 -0.364 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)C1=CCCC1 1217630384 BSASYLSICLJRBU-LSDHHAIUSA-N 317.389 -0.242 30 20 DBED C[C@@H](c1ncccn1)N1C[C@H](O)[C@H](NC(=O)CSCC#N)C1 1219218219 LXSAEPMGGYKPSB-TUAOUCFPSA-N 321.406 -0.044 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)CCC2CCC2)C1 1219436491 BVOIQHJYWIMQOQ-KGLIPLIRSA-N 307.394 -0.523 30 20 DBED CCn1cc(C(=O)N[C@@H]2CN(CC#CCOC)C[C@@H]2O)c(C)n1 1220441799 OOGYDLVMQUKOGC-CABCVRRESA-N 320.393 -0.364 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)[C@H]2CCCCO2)CC1 1226876071 MRTDILULGJZUIQ-CQSZACIVSA-N 307.394 -0.115 30 20 DBED C#CCNC(=O)CC(=O)NC1CCN(CCOCC=C)CC1 1226961657 JMSQWDDYFXNCKA-UHFFFAOYSA-N 307.394 -0.091 30 20 DBED C=CCCN1CCC(NC(=O)C[C@H](NC(C)=O)C(N)=O)CC1 1229476890 PAANOSMLYHKOGS-ZDUSSCGKSA-N 310.398 -0.477 30 20 DBED CCS(=O)(=O)NCCN1CC[C@H]1CN(C)C(=O)[C@@H](C)C#N 1231294454 YKOWDATZCPYKAJ-RYUDHWBXSA-N 316.427 -0.382 30 20 DBED Cc1ccc(CCNC(=O)C(=O)N2CCO[C@H](C#N)C2)cn1 1257588060 FFIVMUIGHBVHOV-CYBMUJFWSA-N 302.334 -0.200 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CO[C@H](C)C2)C1=O 1261478591 SPAQSIABZGQETL-UTUOFQBUSA-N 309.366 -0.475 30 20 DBED C#CC[C@H](CO)NC(=O)c1cc2c(c(S(N)(=O)=O)c1)CCC2 1261742547 YFLIHQOLOXEWJS-GFCCVEGCSA-N 322.386 -0.063 30 20 DBED C=CCN(C(=O)CCNC(=O)COC)[C@@H]1CCS(=O)(=O)C1 1318550050 ULPFILGOJMCVOI-LLVKDONJSA-N 318.395 -0.659 30 20 DBED CC(C)(C)[S@](=O)CCNC(=O)C(=O)N1CCO[C@@H](C#N)C1 1323432123 NEOBATNOMRGSHI-CHNSCGDPSA-N 315.395 -0.599 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N[C@@H]1CCN(C(C)C)C1=O 1324616365 URGKGZBEFVFBIL-CYBMUJFWSA-N 303.362 -0.403 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@H]1C=CCCC1 1324811054 LLETXINUVMRHTN-NSHDSACASA-N 300.380 -0.072 30 20 DBED COCCCOCCN(C)C(=O)C(=O)N1CC[C@](F)(C#N)C1 1325085763 VPKJQAUPGYYFLB-AWEZNQCLSA-N 315.345 -0.038 30 20 DBED CC#CCCNC(=O)C(=O)NCCCN1CCC[C@@H](C(N)=O)C1 1328027668 DTZIODZMSLFDIL-CYBMUJFWSA-N 322.409 -0.780 30 20 DBED C#CCN(C(=O)C(=O)Nc1cc(C)n(CC(=O)NC)n1)C1CC1 1330732706 PSFZBHBTWXUPQW-UHFFFAOYSA-N 317.349 -0.500 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCCNC2)CCN1C1CC1 1331187518 VPVBJTVUMWCTCJ-GXTWGEPZSA-N 319.409 -0.699 30 20 DBED C#C[C@@H](NC(=O)C(=O)NCC(=O)N(CC)CC)[C@@H]1CCCO1 1331607449 DNHGODPSONWVBH-NEPJUHHUSA-N 309.366 -0.732 30 20 DBED C=CCn1c([C@@H](C)CO)nnc1N1CCO[C@H](C(=O)OC)C1 1339774145 JYLXOYDRVCODFR-QWRGUYRKSA-N 310.354 -0.062 30 20 DBED C#CCSCCNC(=O)C(=O)N1CCn2cnnc2[C@@H]1C 1342541570 TZUNNFIYJAMPOB-JTQLQIEISA-N 307.379 -0.336 30 20 DBED C#CCN1CCC(c2nc(-c3ncn(CC(N)=O)n3)no2)CC1 1343844476 AGAICNXAPOWFTL-UHFFFAOYSA-N 315.337 -0.374 30 20 DBED CCOC(=O)[C@H](F)C1CN(c2[nH]c(=O)n(C)c(=O)c2C#N)C1 1363155299 MZPLFHAOSTYDHM-SECBINFHSA-N 310.285 -0.717 30 20 DBED CO[C@@H]1CCCN(C(=O)Cn2cc(C#N)c(O)nc2=O)CC1 1363487689 ZOTQXDLKPBMKJD-LLVKDONJSA-N 306.322 -0.152 30 20 DBED N#Cc1ccsc1C(=O)NCCc1nnc2n1CCNC2=O 1363597042 PZWARQWFKUIFOT-UHFFFAOYSA-N 316.346 -0.073 30 20 DBED C[C@H]1CN(C(=O)CNC2(CNC(=O)[C@H](C)C#N)CC2)CCO1 1367987209 AJITYVFWKSFWQN-NEPJUHHUSA-N 308.382 -0.368 30 20 DBED COCC(=O)NCCC(=O)N[C@H]1C[C@H](NC(=O)[C@H](C)C#N)C1 1372561842 FQTKWJBTCQMJAU-GMTAPVOTSA-N 310.354 -0.938 30 20 DBED C[C@H](CNC(=O)CCS(=O)(=O)N(C)C)NC(=O)[C@H](C)C#N 1372907600 WGVVHQCNMBZKJB-NXEZZACHSA-N 318.399 -0.952 30 20 DBED CC(=O)N[C@@H](C(=O)N1CC(CNC(=O)[C@@H](C)C#N)C1)C(C)C 1374900773 VLHJTJQGQWZQRM-GXFFZTMASA-N 308.382 -0.119 30 20 DBED C[C@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)[C@@H]1CCC(=O)N1 1386712509 JLDKMNYXSRTMHF-SCZZXKLOSA-N 303.322 -0.601 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1cnn(CC2CC2)c1 1389131385 VRXRYPFERCBAGC-GXFFZTMASA-N 319.365 -0.340 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CN(C)C(=O)Cc1cnn(C)c1 1405590197 NXJNNSIRXURTNR-ZYHUDNBSSA-N 307.354 -0.942 30 20 DBED CO[C@H]1CCCN(C(=O)CCn2cc(C#N)c(O)nc2=O)C1 1411934314 QXPKMOJMZAPMBS-NSHDSACASA-N 306.322 -0.152 30 20 DBED CCN(CCC#N)C(=O)Cn1c(=O)c(C#N)c(C)n(C)c1=O 1413920083 PNEJUPUJCNJQMT-UHFFFAOYSA-N 303.322 -0.511 30 20 DBED C[C@@H](CNCC(=O)NC1CCOCC1)CNC(=O)[C@@H](C)C#N 1438473421 CNPOZNDMPUCEDD-RYUDHWBXSA-N 310.398 -0.217 30 20 DBED N#Cc1ccnc(N2CCN(C(=O)[C@]3(O)CCOC3)CC2)c1 1440882079 WNILZKJKESSNPL-HNNXBMFYSA-N 302.334 -0.247 30 20 DBED CN(C[C@H](O)CNCc1nncs1)C(=O)c1cc(C#N)c[nH]1 1441961013 QKILQRNESVVYTL-SNVBAGLBSA-N 320.378 -0.039 30 20 DBED N#Cc1cn(CCC(=O)NCC2CCOCC2)c(=O)nc1O 1442919071 DREHOLVYFURUJZ-UHFFFAOYSA-N 306.322 -0.247 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H](CNC(=O)CCn2cnnn2)C1 1447618362 WDKRVFGFCZOKTK-NWDGAFQWSA-N 319.369 -0.422 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H](CNC(=O)CCn2cnnn2)C1 1447618368 WDKRVFGFCZOKTK-RYUDHWBXSA-N 319.369 -0.422 30 20 DBED CCN1C[C@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@@H](C)C#N)C2)CC1=O 1454329598 VWOGBMJIVRPJBU-USZNOCQGSA-N 306.366 -0.222 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)COCC1CCCC1 1458022736 ZGEXLVAPGLEQGE-YPMHNXCESA-N 311.382 -0.054 30 20 DBED N#Cc1cn(CC(=O)N[C@@H]2CCC3(C2)OCCO3)c(=O)nc1O 1466455396 TUXIFSQBYVAOKW-SNVBAGLBSA-N 320.305 -0.768 30 20 DBED C[C@H]1CO[C@H](C)CN1CCNc1[nH]c(=O)n(C)c(=O)c1C#N 1472828146 BLLOJGMUEGWEEG-VHSXEESVSA-N 307.354 -0.534 30 20 DBED COC(=O)NCC(=O)N1CC[C@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]21 1489213100 VBPKZIFTKCZFPI-GARJFASQSA-N 308.338 -0.439 30 20 DBED C#CCN1CCC(C(=O)N[C@H]2CCN(C[C@H](O)COC)C2)CC1 1494739322 VKGYRPGPOARWDX-HOTGVXAUSA-N 323.437 -0.471 30 20 DBED Cc1nn(C)c(C)c1CC(=O)NC[C@@H](O)CNC(=O)[C@H](C)C#N 1501585706 TUMQPYYKEUMZHN-BXKDBHETSA-N 321.381 -0.668 30 20 DBED CCc1ncoc1C(=O)N(C)C[C@@H](O)CNC(=O)[C@H](C)C#N 1511617667 XBVBSLFQRYNSED-ZJUUUORDSA-N 308.338 -0.054 30 20 DBED C=CCNC(=O)NC(=O)CN1CC[C@H](NC(=O)[C@@H]2CC23CC3)C1 1566674267 KNQFYJNXHROMAK-RYUDHWBXSA-N 320.393 -0.011 30 20 DBED C#Cc1cncc(C(=O)N(C)CCNC(=O)[C@@H]2C[C@@H]2C(=O)O)c1 1573313869 SKYCTJGWYITNHK-OLZOCXBDSA-N 315.329 -0.028 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)CNC(=O)O)[C@@H](O)C1 1573369234 PYLNSZZNCAGGAE-QWRGUYRKSA-N 301.343 -0.992 30 20 DBED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CNOC1 1580536564 PHQFLAGEZJFYFR-SECBINFHSA-N 324.362 -0.865 30 20 DBED C#CCO[C@@H](C)C(=O)NCCNc1cncc(-c2nn[nH]n2)n1 1588357259 JWDZCJFHSGNTSR-VIFPVBQESA-N 316.325 -0.777 30 20 DBED C#CCOCCn1cc(C(=O)OC)cc(-c2nn[nH]n2)c1=O 1588363578 OPBNIZSWPGFQKY-UHFFFAOYSA-N 303.278 -0.535 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N[C@@H]1C[C@H]2C[C@@]2(C(=O)O)C1 1588389984 HPVGIMWBRRSCPC-PVTKRXDGSA-N 322.361 -0.100 30 20 DBED C#CC[C@H](NC(=O)[C@@H]1C[C@H](O)CN1c1ccncn1)C(=O)O 1588404819 AHVIWPFQMWVXKR-DCAQKATOSA-N 304.306 -0.991 30 20 DBED C[C@](C#N)(CC(=O)O)C(=O)N1CCO[C@H](Cn2ccnn2)C1 1588538541 KMSACSXLEMQWMT-GXFFZTMASA-N 307.310 -0.490 30 20 DBED C[C@H](C#N)C(=O)NCCN(C)c1ccc(-c2nn[nH]n2)nn1 1588929289 URLLWEJDMHAEAS-MRVPVSSYSA-N 301.314 -0.631 30 20 DBED CC(C)NC(=O)CCNc1cnc(C#N)c(-c2nn[nH]n2)n1 1589720431 UBLLRHQDJZFXCI-UHFFFAOYSA-N 301.314 -0.145 30 20 DBED CON1CCC(Nc2cnc(-c3nn[nH]n3)c(C#N)n2)CC1 1591467962 CZOAMQWUGQRAOL-UHFFFAOYSA-N 301.314 -0.034 30 20 DBED N#Cc1ncn(CC(=O)NCc2ccc(-c3nn[nH]n3)cn2)n1 1592709740 NRHDMNUQXWSIOX-UHFFFAOYSA-N 310.281 -0.959 30 20 DBED COCCS(=O)(=O)CC(=O)N1CCC(C#N)(C(=O)O)CC1 1599262102 IXMYRTUBOZBWIE-UHFFFAOYSA-N 318.351 -0.735 30 20 DBED C#CC1CCN(C(=O)C(=O)N2CC[C@](COC)(C(=O)O)C2)CC1 1602674746 CGYQLJNRGDIQQO-INIZCTEOSA-N 322.361 -0.192 30 20 DBED C[C@@]1(C#N)CN(C(=O)[C@H]2CCCN(CC(=O)O)C2=O)CCO1 1603290825 WSPXYVNOUNSCAE-IINYFYTJSA-N 309.322 -0.549 30 20 DBED C[C@H]1C[C@@H](C(=O)O)CN(C(=O)Cn2cc(C#N)c(O)nc2=O)C1 1603360536 SQGSZSSKBMAQCR-DTWKUNHWSA-N 320.305 -0.610 30 20 DBED CC(C)NC(=O)NCCn1c(N)nc(C#N)c1-c1nn[nH]n1 1609100162 WZTCWLZZLQZASJ-UHFFFAOYSA-N 304.318 -0.775 30 20 DBED C#Cc1ccc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)O)nc1 1609624006 UEQYYMLRTYYFTP-NSHDSACASA-N 308.315 -0.613 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)c2cn(C)nc2CC)C1 1713973413 MJWDVIJHNIIJGY-GFCCVEGCSA-N 317.393 -0.464 30 20 DBED CNC(=O)NC(=O)CN1CC[C@@H](NC(=O)C#CC(C)(C)C)C1 1732154004 SJCDYIXMTQVEMT-LLVKDONJSA-N 308.382 -0.318 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCN(CC(=O)NC(C)C)C2)nn1 1732154641 MMOMZWGTFFWTMT-GFCCVEGCSA-N 320.397 -0.207 30 20 DBED C#CCN1CCN(CCNC(=O)[C@@H](OC)[C@H]2CCOC2)CC1 1752371109 QAQMWHKSODJBKA-GJZGRUSLSA-N 309.410 -0.595 30 20 DBED COCCS(=O)(=O)CC(=O)N[C@H]1CCC[C@@H](NCC#N)C1 1752971303 LAPUXUUOYAIVKJ-NEPJUHHUSA-N 317.411 -0.412 30 20 DBED C=CCNC(=O)CN[C@H](C)CCNC(=O)[C@@]1(C)CCNC(=O)C1 1753009746 JPQQAWHLSLRMFQ-WBMJQRKESA-N 324.425 -0.311 30 20 DBED C#CCO[C@@H](C)C(=O)NCCN(C1CC1)[C@H]1CCC(=O)NC1=O 1753154407 HVHJXEPJLDVTPO-AAEUAGOBSA-N 321.377 -0.590 30 20 DBED COCC#CCN1CC(NC(=O)[C@@H]2CCc3nnnn3CC2)C1 1753387675 SNTGIXGRRNWGCZ-GFCCVEGCSA-N 318.381 -0.924 30 20 DBED C#CCO[C@H](C)C(=O)NCC1CN(CC(=O)N2CCCC2)C1 1753403251 RHCSXNANTJSLIV-CYBMUJFWSA-N 307.394 -0.305 30 20 DBED N#Cc1ccc(CN2CCO[C@@H](CNC(=O)CC(N)=O)C2)cc1 1753656458 GQGHZVCOUPGWQM-AWEZNQCLSA-N 316.361 -0.249 30 20 DBED C#CCNC(=O)CNCCN(CC)C(=O)[C@H]1CCCC(=O)N1C 1754080913 QSULVMULDRUPJT-CYBMUJFWSA-N 322.409 -0.815 30 20 DBED COCc1ccc(C(=O)N[C@@H](C)CNCC(=O)NCC#N)o1 1754275126 NDNYAIDIJMHMAK-JTQLQIEISA-N 308.338 -0.226 30 20 DBED C=CCNC(=O)CN1CC(O)(CNC(=O)c2cc(CC)[nH]n2)C1 1754763178 JIAUCDSTGKBYHH-UHFFFAOYSA-N 321.381 -0.949 30 20 DBED C=CCC1(C(=O)NCC2(O)CN(Cc3nnnn3C)C2)CCC1 1754773604 VJFDDSOPQGDHQP-UHFFFAOYSA-N 320.397 -0.381 30 20 DBED C=C1CC(C)(C(=O)NCC2(O)CN(Cc3nnn(C)n3)C2)C1 1754774785 ZRKVGMSNIMOFEH-UHFFFAOYSA-N 306.370 -0.771 30 20 DBED C#CCN1CC(O)(CNC(=O)c2cnn(CCOCC)c2)C1 1754776946 GJRYPCVJBHJQTN-UHFFFAOYSA-N 306.366 -0.671 30 20 DBED CNC(=O)NCC(=O)N1CCC[C@@H]2[C@H]1CCN2CC#CCOC 1754864275 ARXFDVZSCSDLNL-ZIAGYGMSSA-N 322.409 -0.370 30 20 DBED C#CCNC(=O)CN1CCOC[C@H]1CNC(=O)C1CC=CC1 1754966176 QHRSTQFNWZWMPH-CQSZACIVSA-N 305.378 -0.481 30 20 DBED CC1(NCC#N)CCN(C(=O)CCc2nnc(O)nc2O)CC1 1755130035 CLQCGUVPIJQZOD-UHFFFAOYSA-N 320.353 -0.290 30 20 DBED C#CCN1CCOC2(CCN(C(=O)C[C@@H](C)NC(N)=O)CC2)C1 1755174911 ZSCYPTVHAWOQFP-CYBMUJFWSA-N 322.409 -0.240 30 20 DBED CC(C)C#CC(=O)N[C@H]1C[C@H](CNCCN2C(=O)CNC2=O)C1 1755471572 XLJFTYGUWUKXNF-JOCQHMNTSA-N 320.393 -0.318 30 20 DBED O=C(NC[C@@H](CO)NCC#Cc1ccc(F)cc1)c1cnn[nH]1 1755644530 YUASNIYYWALWLW-ZDUSSCGKSA-N 317.324 -0.324 30 20 DBED COCC#CCNCCOCCN(C)C(=O)c1cnccn1 1755869705 ANSIDQSZDKUHCB-UHFFFAOYSA-N 306.366 -0.195 30 20 DBED C=CCOCC(=O)N[C@H]1CCCN(C(=O)Cn2ncnn2)[C@@H]1C 1756621695 KMBPCPZQTLVANM-NEPJUHHUSA-N 322.369 -0.629 30 20 DBED C=CC(C)(C)C(=O)NC[C@@H](O)CN(C)C(=O)c1cnnn1C 1756661029 QNWMVOIDLQGJQP-SNVBAGLBSA-N 309.370 -0.424 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(C(=O)c2cnccn2)C[C@H]1O 1757008887 LPVBUXNLXIFGDR-CHWSQXEVSA-N 320.349 -0.629 30 20 DBED N#CCSCC(=O)N[C@@H]1CN(C(=O)c2cccnc2)C[C@@H]1O 1757155455 HNUZMLHWRJZXHY-NEPJUHHUSA-N 320.374 -0.360 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC[C@H](NC(=O)c2ncn(C)n2)[C@H]1C 1757508893 OHMSSGMENDOWEK-ZETOZRRWSA-N 321.381 -0.139 30 20 DBED CC(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC#N)C2 1800531606 UPBSJKQWCBJGHO-ZKCLLBTKSA-N 322.365 -0.986 30 20 DBED C[C@H](S)C(=O)N1CCCC12CN(C(=O)[C@@H]1CCC(=O)N1)C2 1846367728 MPOUIPXSHMZWIC-UWVGGRQHSA-N 311.407 -0.213 30 20 DBED C/N=C(/NCCn1cccn1)N1CCN(C(C)(C)C(N)=O)CC1 261766283 OUPFZMISZSOFDO-UHFFFAOYSA-N 321.429 -0.660 30 20 DBED CN(C)CCCN(CCC#N)C(=O)CC[C@H]1NC(=O)NC1=O 264037305 HDKRWJLKJJATTD-LLVKDONJSA-N 309.370 -0.331 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@@H](C)NC[C@@H]2C)C1=O 272634745 WTKZCYCEJHRAHP-ZJUUUORDSA-N 308.338 -0.828 30 20 DBED C[C@H](CN1CCN(C)CC1)NS(=O)(=O)c1cccnc1C#N 277083710 UWKRUSZGJCUDJA-GFCCVEGCSA-N 323.422 -0.133 30 20 DBED C=CCN(CC=C)C(=O)CN1[C@@H](C)C(=O)N(C)S1(=O)=O 283022202 MIOBDCVGNPZGIZ-JTQLQIEISA-N 301.368 -0.406 30 20 DBED C=CCSCCNC(=O)C(=O)NCCS(=O)(=O)CC 286576903 UQNRQGPALKDIGO-UHFFFAOYSA-N 308.425 -0.427 30 20 DBED C=C[C@@H](CO)NC(=O)c1ccc(OC)c(S(=O)(=O)NC)c1 290624770 OWIGFXJCVHFTAP-JTQLQIEISA-N 314.363 -0.120 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC(C)(C)COCC)C1=O 293825733 GROYDAMTCNANKS-UHFFFAOYSA-N 311.338 -0.106 30 20 DBED N#Cc1cncc(S(=O)(=O)N2CCC[C@H]3C(=O)NC[C@H]32)c1 315427709 VZTLDNGHIYOFOM-VXGBXAGGSA-N 306.347 -0.148 30 20 DBED CN1CCO[C@H]2CN(C(O)=Nc3ccc(C(N)=O)nc3)C[C@@H]21 329132430 PFXJHRNBEPGDCV-RYUDHWBXSA-N 305.338 -0.259 30 20 DBED COC(=O)[C@H]1CN(C(=O)Nc2cc(C)n(CCC#N)n2)CCO1 330612741 RHRVUZMVDXTIBX-LLVKDONJSA-N 321.337 0.511 30 20 DBED CC(C)OC(=O)CC/N=C(/O)N1CC[C@H](S(N)(=O)=O)C1 331302053 XBTQVFVDOJLGSY-VIFPVBQESA-N 307.372 -0.395 30 20 DBED COC(=O)[C@@H]1CN(S(=O)(=O)N(C)[C@H](C)CC#N)C[C@H](C)O1 337985982 MZZRXTCVFYFUHK-VWYCJHECSA-N 319.383 -0.273 30 20 DBED COC(=O)[C@@H]1CN(C(=O)C(=O)Nc2cccc(C#N)c2)CCO1 348559127 FBNPGTPCUWCMPS-LBPRGKRZSA-N 317.301 -0.103 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N1CCN([C@H]2CCNC2)CC1 352508354 GOVIKVDADHGBRO-OLZOCXBDSA-N 309.414 -0.634 30 20 DBED C=CCOc1cccc(NC(=O)C(=O)NCC(=O)NCC#N)c1 357290900 PPSMTFWEBULVNB-UHFFFAOYSA-N 316.317 -0.054 30 20 DBED C=CCOC[C@H](NC(=O)[C@H](C)CN1CCOCC1)C(=O)OC 360724600 CZCPNHJWSRTMMF-OLZOCXBDSA-N 314.382 -0.185 30 20 DBED C#CCSCCNC(=O)N1CCC[C@@H](S(N)(=O)=O)C1 369106641 KMGLYYCRICFODC-SNVBAGLBSA-N 305.425 -0.185 30 20 DBED Cn1ncc2c(=O)n(CC(=O)NCc3ccc(C#N)cc3)nnc21 440847419 OWTMNMFQOQZXOS-UHFFFAOYSA-N 323.316 -0.287 30 20 DBED C=CCN(C)C(=O)C(=O)N1CCN([C@@H](C)C(=O)NC2CC2)CC1 459890105 FTCPXZUUBBOBRS-LBPRGKRZSA-N 322.409 -0.558 30 20 DBED CNC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(C#N)c(F)c1 489631345 SDGWSPUTNDFIIX-SNVBAGLBSA-N 301.299 -0.917 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)CCCNC(=O)OC)CC1 491071837 NNVOJVHZSHFQKU-UHFFFAOYSA-N 324.381 -0.984 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2cc3n(n2)CCC3)CC1 491414069 AZFRFIHVKFAKFC-UHFFFAOYSA-N 315.377 -0.664 30 20 DBED C#CCN(CC#N)CC(=O)Nc1c(C(=O)OCC)cnn1C 491486117 UDUGOEHQVDFGEX-UHFFFAOYSA-N 303.322 -0.006 30 20 DBED C#CCNC(=O)CCNCCS(=O)(=O)NCc1ccccc1 491802747 HBXFWFRSRCHOBL-UHFFFAOYSA-N 323.418 -0.165 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1CSC[C@@H]1C(=O)O 577757769 FYZRNWZKMRTQBQ-SECBINFHSA-N 323.396 -0.447 30 20 DBED CCOC(=O)Cn1cnc(NC(=O)N2CCO[C@H](C#N)C2)n1 591871430 QASVRLNBSWFENN-SECBINFHSA-N 308.298 -0.403 30 20 DBED COC[C@](C)(C#N)NC(=O)c1cc(S(N)(=O)=O)ccc1O 597381610 HNMVJDYOXQYCTF-LBPRGKRZSA-N 313.335 -0.302 30 20 DBED COC(=O)C[C@H](O)CNC(=O)C(=O)Nc1ccc(C#N)cc1F 600057662 HDJDSYRCJSGZFH-VIFPVBQESA-N 323.280 -0.324 30 20 DBED C=CCn1cc(C(=O)N2CCC[C@@H](S(=O)(=O)NC)C2)nn1 648784499 SPSMRZOYJIZRAW-SNVBAGLBSA-N 313.383 -0.382 30 20 DBED C=CC[C@@H](CO)CNC(=O)NCC(C)(C)NS(C)(=O)=O 678779964 WWOHLXOMQVDAFX-SNVBAGLBSA-N 307.416 -0.202 30 20 DBED CN(CCC#N)S(=O)(=O)NC[C@H]1CN2CCC[C@@H]2CO1 726186626 FGFDUIDPXHAZNY-NEPJUHHUSA-N 302.400 -0.471 30 20 DBED COC(=O)c1coc(Cn2c(N)nc(C#N)c2-c2nn[nH]n2)c1 736956028 CCHUPWOKZUGZCK-UHFFFAOYSA-N 314.265 -0.055 30 20 DBED C#CCNC(=S)NCCN1CCN(C(=S)NCC#C)CC1 758170702 DENGKURDUJRTAI-UHFFFAOYSA-N 323.491 -0.791 30 20 DBED CC(C)[C@@](C)(C#N)NC(=O)COC(=O)[C@H](C)NS(C)(=O)=O 758477476 PGEOBQMIJLTSMV-JOYOIKCWSA-N 319.383 -0.478 30 20 DBED C[C@@H](C#N)COC(=O)CCc1nc2c(O)nc(=O)n(C)c2[nH]1 770744849 WJKSHRQKGNJJBK-ZETCQYMHSA-N 305.294 -0.002 30 20 DBED N#Cc1cnn2c(O)cc(COC(=O)[C@@H]3CCNC(=O)C3)nc12 784138519 PXGUNYFUYJFBBW-MRVPVSSYSA-N 315.289 -0.124 30 20 DBED COC[C@H](C#N)OC(=O)C1=CC=CN2CCS(=O)(=O)N=C12 784928843 HWWSHBFGJVOAIB-VIFPVBQESA-N 311.319 -0.434 30 20 DBED C#CCCS(=O)(=O)NC(=O)CCn1cc([N+](=O)[O-])cn1 791110972 ITRFXEDNUUXVJW-UHFFFAOYSA-N 300.296 -0.349 30 20 DBED C#CCCS(=O)(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)OCC 808308367 BSOLIYFYIUZXLI-VHSXEESVSA-N 304.368 -0.615 30 20 DBED N#Cc1cncc(S(=O)(=O)NC(=O)C[C@@H]2CCCC(=O)N2)c1 813984667 ZKDQERHPBHUYJM-JTQLQIEISA-N 322.346 -0.183 30 20 DBED C#CCN(C)CCCNC(=O)[C@@H]1CCCCN1S(C)(=O)=O 818584200 HHDLENJUFYRKIQ-ZDUSSCGKSA-N 315.439 -0.128 30 20 DBED C[C@H](C(=O)N[C@H]1CNC[C@@H]1C#N)N1C(=O)NC2(CCCC2)C1=O 834493086 AGGGAQPQHFYFPN-VWYCJHECSA-N 319.365 -0.533 30 20 DBED C#CC[C@H](NC(=O)CNS(=O)(=O)CCCC)C(=O)OC 837949180 BNXRTMBKJLINQG-JTQLQIEISA-N 304.368 -0.613 30 20 DBED C#Cc1cccc(CNC(=O)C(=O)N2CCO[C@@H]([C@@H](C)N)C2)c1 842032940 KDVKDZVVWOPUSB-IUODEOHRSA-N 315.373 -0.141 30 20 DBED C/N=C(/NCCN1CCOCC1)NCc1nc(C2CC2)n[nH]1 849034682 DHBKYCPDABAQKK-UHFFFAOYSA-N 307.402 -0.321 30 20 DBED C#C[C@H](NC(=O)N1C[C@@H]2COC[C@]2(C(=O)O)C1)[C@H]1CCCO1 851650442 HCCFHYNWTGQHTK-NWJSVONSSA-N 308.334 -0.090 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)NCC[S@](=O)CC 875196645 AIIFRSCBNILJIL-PRWKNARSSA-N 302.396 -0.584 30 20 DBED C=CCn1cc(C(=O)N(CC)[C@@H]2CCN(C(=O)C(N)=O)C2)nn1 942802374 QPDZWJVIFAEQCA-SNVBAGLBSA-N 320.353 -0.988 30 20 DBED C#CCN1CCC(C(=O)NC[C@@H]2CN(C(C)=O)CCO2)CC1 944628842 SNLJNYHCQQIYON-OAHLLOKOSA-N 307.394 -0.305 30 20 DBED CC(C)(C(N)=O)C(=O)N1CCOC2(CCN(CC#N)CC2)C1 949118326 PFYMEYYCDPACPK-UHFFFAOYSA-N 308.382 -0.285 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]1CNC(=O)c1cnc2[nH]nnc2c1 950599370 ADMULAIIJUTQCU-WPRPVWTQSA-N 313.321 -0.157 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@H]3CCN(C(=O)C(N)=O)C[C@H]32)[nH]1 953450415 TUMKUQNJXVRSER-BXKDBHETSA-N 315.333 -0.565 30 20 DBED C#CCCN1C[C@H](CNC(=O)c2cnc3nccn3c2)[C@@H](O)C1 958254967 UABWEUWCGANNOB-JSGCOSHPSA-N 313.361 -0.225 30 20 DBED Cc1ccn2ncc(C(=O)NC[C@@H]3CN(CC#N)C[C@@H]3O)c2n1 958599609 SAANLYURZJQPKA-YPMHNXCESA-N 314.349 -0.416 30 20 DBED CC(=O)N1CCC(C(=O)NC[C@H]2CN(CC#N)C[C@H]2O)CC1 958657890 QCLZHSKWZAEFIT-UONOGXRCSA-N 308.382 -0.823 30 20 DBED C#CCCN1C[C@H]2C(NC(=O)CN3CCCS3(=O)=O)[C@@H]2C1 960186976 VQKOOTHDEYKEOP-VXGBXAGGSA-N 311.407 -0.908 30 20 DBED C=CCN1CC[C@@H](N(C)C[C@H]2CCCN2C(=O)CC(N)=O)C1=O 960496713 GJLCUVPWUSRNSP-CHWSQXEVSA-N 322.409 -0.429 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)c3cc[nH]n3)C[C@@H]2O)[nH]1 962328764 JYFNAPBNXWFBDT-NEPJUHHUSA-N 314.305 -0.775 30 20 DBED O=C(NC[C@H]1COCCN1C(=O)C#CC1CC1)c1cnn[nH]1 964250226 XVDBIXCLXXQHTP-NSHDSACASA-N 303.322 -0.825 30 20 DBED C=CCN1CC[C@@H](N[C@@H]2CCN(C(=O)c3cnon3)C2)C1=O 970305923 IQMCPVCNGLPLBQ-GHMZBOCLSA-N 305.338 -0.339 30 20 DBED C#CCCN1C[C@H](NC(=O)Cn2ccc(O)nc2=O)C(C)(C)C1 974780100 DGWOIUKLPYZSFB-LBPRGKRZSA-N 318.377 -0.201 30 20 DBED N#CCN1C[C@@H]2C(CNC(=O)C3CC4(C3)CS(=O)(=O)C4)[C@H]2C1 978359664 UJZIRPTWFOQXGU-CHWSQXEVSA-N 323.418 -0.371 30 20 DBED CO[C@H]1C[C@H](C(=O)NC[C@H]2[C@@H]3CN(CC#N)C[C@H]23)N(C(C)=O)C1 978528215 UHWOFVGZWBXSCI-BTFPBAQTSA-N 320.393 -0.560 30 20 DBED Cn1oc(C(=O)NC[C@H]2CCN(C(=O)C#CC3CC3)C2)cc1=O 982742495 PDWSYTQXEMANMU-GFCCVEGCSA-N 317.345 -0.030 30 20 DBED Cc1nn(CC(=O)N[C@@H]2CCCN(CC#N)[C@H]2C)c(=O)n1C 994300106 ZVBUEHFKNHDGLE-CMPLNLGQSA-N 306.370 -0.617 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)[C@]2(C)CNC(=O)C2)C1 1000017183 LVWLSFDTGXOGSN-WQGACYEGSA-N 321.377 -0.569 30 20 DBED C[C@@H](C(=O)N1CCN(C(=O)[C@H](C)C#N)CC1)N1CCOCC1 1011466036 FERLWSJRCMPUQQ-OLZOCXBDSA-N 308.382 -0.462 30 20 DBED C#CCCN1CC[C@H](NC(=O)Cn2nc3ccccn3c2=O)C1 1015458451 GFLHLDFPSXXOJO-ZDUSSCGKSA-N 313.361 -0.290 30 20 DBED C#CCN1CCC2(CC1)C[C@H]2NC(=O)CN1CCOCC1=O 1016663192 YHXPYLWKCUOUSP-CYBMUJFWSA-N 305.378 -0.551 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2CN(C(C)=O)CCCO2)nn1 1019591295 ZVMNYOBPVJBCSG-LBPRGKRZSA-N 307.354 -0.169 30 20 DBED C[C@@H](C#N)C(=O)N1CCCO[C@@H](CNC(=O)c2cnon2)C1 1019655172 IGINQUUPOZAQST-UWVGGRQHSA-N 307.310 -0.423 30 20 DBED CO[C@H](C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 1023455086 IVJDIUBSVLXCRY-GGZOMVNGSA-N 306.322 -0.777 30 20 DBED CN(CC#N)[C@@H]1CCCN(C(=O)[C@H]2CCc3nnc(O)n3C2)C1 1027470322 KZDQZJOGFLTNIQ-NWDGAFQWSA-N 318.381 -0.008 30 20 DBED Cn1c(C(=O)NCC2CN(CC#N)C2)c2n(c1=O)CCCC2 1031978319 CCAXLELJOFEDOW-UHFFFAOYSA-N 303.366 -0.292 30 20 DBED C#CCN1CC[C@H](N(CC)C(=O)c2cc(=O)n3[nH]cnc3n2)C1 1034019688 XKBTTWPUSDJQGP-NSHDSACASA-N 314.349 -0.413 30 20 DBED C=CCn1cccc1C(=O)NC[C@@H]1CN(CC(=O)NC)CCO1 1035398276 LPELITUVASAMJM-CYBMUJFWSA-N 320.393 -0.149 30 20 DBED C#CCCN1CCO[C@@H](CNC(=O)c2ccc(C(N)=O)o2)C1 1035442770 XJVCHMVOADSUCD-NSHDSACASA-N 305.334 -0.168 30 20 DBED C#CCN1CCO[C@H](CNC(=O)c2ccnc3nc(C)nn23)C1 1035574607 ROKGPALVHRZXNX-GFCCVEGCSA-N 314.349 -0.503 30 20 DBED C#CCN[C@H]1CCN(C(=O)CN2C(=O)NC(=O)C2(C)C)C[C@@H]1C 1036247288 MVMWQDLBWHPJDU-RYUDHWBXSA-N 320.393 -0.223 30 20 DBED C=CCN1CC[C@H](NCC[C@H]2CCCCN2C(=O)C(N)=O)C1=O 1036330659 SOXYEWOOGWXOSI-OLZOCXBDSA-N 322.409 -0.381 30 20 DBED C#CCCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1cnn2c(=O)cc[nH]c12 1037627605 KWVXRZBJUPBXAI-SCDSUCTJSA-N 311.345 -0.152 30 20 DBED C#CCCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)CN1CC(=O)N(C)C1=O 1037675515 VBIUOGXZLWUUAU-UHIISALHSA-N 304.350 -0.907 30 20 DBED C=CCCN1CC[C@H]1CNC(=O)c1cc(=O)n2[nH]cnc2n1 1038921957 NSMUCXXBYPQBNU-JTQLQIEISA-N 302.338 -0.202 30 20 DBED CC(C)C#CC(=O)N1CC[C@](O)(CNC(=O)CC(C)(C)O)C1 1039588388 DJZHKFQEDWNXDN-INIZCTEOSA-N 310.394 -0.114 30 20 DBED C#CCOCCC(=O)NC[C@@]1(O)CCN(C(=O)c2cocn2)C1 1039719224 QEDIBHMTKNFPJN-HNNXBMFYSA-N 321.333 -0.592 30 20 DBED C=CCCC(=O)N1CC[C@](O)(CNC(=O)Cn2ccnc2)C1 1040213979 DPTKLPGMUAGKGN-HNNXBMFYSA-N 306.366 -0.071 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)CCc2ccon2)C1 1040294557 ODRRGYUDVFNUKN-ABAIWWIYSA-N 320.349 -0.154 30 20 DBED O=C(NC[C@]1(O)CCN(C(=O)C#CC2CC2)C1)c1ccncn1 1040659285 AGMFGVXCGPMBIR-MRXNPFEDSA-N 314.345 -0.417 30 20 DBED C[C@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)Cn2ccnc2)C1 1040771306 XQWFNPHRAOTWGO-BXUZGUMPSA-N 305.338 -0.878 30 20 DBED CC(=O)CCCC(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1041447907 LJYVNHQNUVXMHY-UHFFFAOYSA-N 306.362 -0.151 30 20 DBED CC(C)[C@@H](F)C(=O)N1CC(O)(CNC(=O)CSCC#N)C1 1041568711 CVDLJIPKLUHHRB-LLVKDONJSA-N 317.386 -0.073 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)C[C@H]2CCOC2)C1 1042039866 KGKQBNRNZBAHPJ-GFCCVEGCSA-N 312.366 -0.695 30 20 DBED C#CCN1CC[C@@H]2CCN(C(=O)CN3CCN(C)C(=O)C3)C[C@@H]21 1042121038 DEGOEZBQYLVBSN-CABCVRRESA-N 318.421 -0.684 30 20 DBED C#CCCCCC(=O)N1CC(O)(CNC(=O)c2ncc[nH]2)C1 1042931087 GHNZDBQNTAJQPI-UHFFFAOYSA-N 304.350 -0.094 30 20 DBED CC(=O)NC(C)(C)C(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042958863 NZPCVRACMXNNGQ-UHFFFAOYSA-N 321.377 -0.996 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)[C@H]2CCN(C)C2=O)C1 1045026518 KLVDEUFAAJLKIC-LLVKDONJSA-N 323.393 -0.634 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2ncc(OC)cc2F)C1 1047403178 CPWQKIGLZIBFOA-STQMWFEESA-N 307.325 -0.020 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)CN2CCCCCC2=O)C1 1047619446 OLKBSQOLUXIJFG-GJZGRUSLSA-N 321.421 -0.084 30 20 DBED C=CCCC(=O)N(C)[C@H]1CN(C(=O)[C@H](C)NC(N)=O)C[C@@H]1O 1048510625 QJSCUTPZNGTWEF-DCAQKATOSA-N 312.370 -0.961 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)COCC=C)C1 1048554774 HCAPTPVXBFWDAP-STQMWFEESA-N 312.366 -0.578 30 20 DBED CCOCC1(C(=O)N(C)[C@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)CC1 1049019760 RUCDBCXSBULZEV-AGIUHOORSA-N 323.393 -0.007 30 20 DBED C#CCOCCC(=O)N[C@@H](C)[C@H]1CCN(C(=O)CNC(N)=O)C1 1049990550 OTEWQWZUYQPVQK-RYUDHWBXSA-N 324.381 -0.952 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)c1cc(C(N)=O)cn1C 1051002084 AXQJALYBQMGTHG-LBPRGKRZSA-N 304.350 -0.812 30 20 DBED CCn1nc(C(=O)NC[C@H]2COCCN2CC#N)ccc1=O 1051172403 ITOKFJJVLAMRND-NSHDSACASA-N 305.338 -0.783 30 20 DBED COCC(=O)N1CCC(N(CCO)c2cnc(C#N)cn2)CC1 1051483639 BJHWOPAYAAQKIQ-UHFFFAOYSA-N 319.365 -0.216 30 20 DBED N#Cc1ccc(N2CC[C@@H](NC(=O)c3cnn[nH]3)[C@@H](O)C2)cn1 1051804781 AFRVGLGRYMNIBR-YPMHNXCESA-N 313.321 -0.559 30 20 DBED C#CCN1CC2(C1)CN(C(=O)[C@@H]1CCCCN1C(N)=O)CCO2 1053505583 ZKASEHAZHRRPGW-ZDUSSCGKSA-N 320.393 -0.534 30 20 DBED C#CCN1CC2(CC[C@@H](CNC(=O)c3cc(C(N)=O)co3)O2)C1 1053662345 JZCBNWNNPKAFSH-LBPRGKRZSA-N 317.345 -0.025 30 20 DBED C#CCN1CC[C@]2(CCCN(C(=O)CN3CC(=O)NC3=O)C2)C1 1054214658 CSVLTBRJVOGZTG-MRXNPFEDSA-N 318.377 -0.514 30 20 DBED CC(C)(C(N)=O)C(=O)N1CCN(c2ccnc(C#N)n2)CC1 1055932502 UJOCNVKAJHAEPX-UHFFFAOYSA-N 302.338 -0.492 30 20 DBED O=C(C#CC1CC1)N[C@]1(CO)CCCN(C(=O)c2cc[nH]n2)C1 1055936579 JDTAWMVVOLVBRL-MRXNPFEDSA-N 316.361 -0.094 30 20 DBED C[C@@H](C#N)C(=O)N[C@]1(CO)CCCN(C(=O)Cc2cnoc2)C1 1056095937 FNSPAOZEGOLGQI-XHDPSFHLSA-N 320.349 -0.154 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)C[C@H](C)NC(N)=O 1057168343 BOWFPEWOHQUCER-NSHDSACASA-N 314.386 -0.663 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)[C@@H]1C[C@@H]1C(=O)OC 1057177115 CVFDUBIBBHXWSY-NEPJUHHUSA-N 312.366 -0.301 30 20 DBED C=C[C@@](C)(O)CC(=O)N(CCO)CCNC(=O)[C@H](C)OC 1057449586 FBGDYRORQKISIQ-SMDDNHRTSA-N 302.371 -0.715 30 20 DBED C#CCO[C@H](C)C(=O)NCCN(CCO)C(=O)C#CC(C)C 1057524856 UFHFSSHQJPNOOU-CQSZACIVSA-N 308.378 -0.379 30 20 DBED O=C(NCCN(CCO)C(=O)C#CC1CC1)c1cc[n+]([O-])cc1 1057531720 WRWJCMZFGOOKTA-UHFFFAOYSA-N 317.345 -0.716 30 20 DBED CCn1cnc(C(=O)NCCN(CCO)C(=O)[C@H](C)C#N)c1 1058655410 XYVDTNOCNYFYNB-LLVKDONJSA-N 307.354 -0.387 30 20 DBED N#Cc1nc(=N[C@H]2CCN(C(=O)CCc3cnn[nH]3)C2)cc[nH]1 1059070450 GBFLDHLVHVLPLB-NSHDSACASA-N 312.337 -0.466 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@@H](CCNC(=O)c2nc[nH]n2)C1 1059646741 WZDHFPNGDOUABJ-NWDGAFQWSA-N 319.365 -0.189 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(CC1)CN(C(=O)CNC(N)=O)C2 1060893482 HFPASOYTUDAOAL-JTQLQIEISA-N 307.354 -0.735 30 20 DBED N#CCSCC(=O)N1CCOC[C@H]1CNC(=O)c1cn[nH]c1 1061331946 PLYZOHHKGSTKDX-LLVKDONJSA-N 323.378 -0.376 30 20 DBED Cn1cnc(C(=O)NC[C@H]2CCCN2c2cncc(C#N)n2)n1 1061348749 LCCRHIBRCWNEEZ-LLVKDONJSA-N 312.337 -0.124 30 20 DBED C=CCCC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1CN(C)C(=O)N1 1061401631 KENDHGLLTCURBC-RYUDHWBXSA-N 324.381 -0.680 30 20 DBED C=CCOCC(=O)NC[C@@H]1COCCN1C(=O)c1cccnn1 1061426173 LYAPVENHJKDULX-GFCCVEGCSA-N 320.349 -0.364 30 20 DBED C#CCCCC(=O)N1CCOC[C@H]1CNC(=O)CC(=O)NC 1061527124 RCFZWBBTNFQLDC-GFCCVEGCSA-N 309.366 -0.730 30 20 DBED C=CCOCC(=O)N1CCOC[C@H]1CNC(=O)c1n[nH]cc1C 1061558997 DTTHASKKKHLVDK-GFCCVEGCSA-N 322.365 -0.122 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)CCn1ccnc1 1061735564 SRIMMNBRSXIDSP-CHWSQXEVSA-N 319.365 -0.224 30 20 DBED Cc1nn[nH]c1C(=O)N1CCOC[C@H]1CNC(=O)[C@H](C)C#N 1061851734 PIPZGQBHRAFZSJ-PSASIEDQSA-N 306.326 -0.770 30 20 DBED Cn1cnc(C(=O)N[C@@H]2[C@H]3C[C@H]2N(c2cncc(C#N)n2)C3)n1 1064242346 MVIUCRVKRASPCL-MKPLZMMCSA-N 310.321 -0.516 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H]1CN(C(=O)c2cocn2)CCO1 1064971234 XGNWKJXJLBFMJZ-RYUDHWBXSA-N 321.333 -0.330 30 20 DBED C[C@@]1(NC(=O)[C@H]2COCCO2)CCN(c2ccc(C#N)nn2)C1 1065210066 KCWPNVKLOVAWSN-IUODEOHRSA-N 317.349 -0.151 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)[C@H]2CCCC(=O)N2)CCO1 1065267281 ORWYYZCWSUKZRR-CHWSQXEVSA-N 323.393 -0.035 30 20 DBED C=C(C)C(C)(C)C(=O)N1CCO[C@@H](CNC(=O)CC(N)=O)C1 1065417520 NABYEMPYZIMGEP-NSHDSACASA-N 311.382 -0.192 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CN(C(=O)c2cccnn2)CCO1 1065514168 JCDRVIAHVOHYNH-GHMZBOCLSA-N 303.322 -0.407 30 20 DBED CN(C(=O)c1cc[nH]c1)[C@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1065626739 YTNBJBCZJWLLDQ-STQMWFEESA-N 312.333 -0.002 30 20 DBED C[C@H]1CN(C(=O)Cc2cc[nH]n2)C[C@H]1N=c1cc[nH]c(C#N)n1 1067061738 JCHUOFFHGQPAGQ-CMPLNLGQSA-N 311.349 -0.005 30 20 DBED Cn1nnc(C(=O)N[C@H]2C[C@H](CN=c3cc[nH]cc3C#N)C2)n1 1068566714 PATOXLNJYJHXPN-HOMQSWHASA-N 312.337 -0.481 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1COC2(C1)CN(C(=O)c1ncccn1)C2 1069001935 ALCKTBVBRFSJQR-QWRGUYRKSA-N 315.333 -0.264 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)Cn2cccn2)CCOCC1 1070230643 AJKFJKJKMDVKEO-LBPRGKRZSA-N 319.365 -0.176 30 20 DBED C=CCOCC(=O)N[C@@H]1CCCN(C(=O)[C@H]2CCC(=O)NC2)C1 1070959399 SJWFHRMUUBMNEC-QWHCGFSZSA-N 323.393 -0.178 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)c2c[nH]c(=O)cn2)CC1 1070991221 IIIQOJVEVVXEJF-UHFFFAOYSA-N 319.365 -0.780 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)CCOC)C1 1071937283 ZWDCGIMLZLEJSG-NEPJUHHUSA-N 309.366 -0.875 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](NC(=O)CCOC)[C@H](C)C1 1071937286 ZWDCGIMLZLEJSG-VXGBXAGGSA-N 309.366 -0.875 30 20 DBED C#CCOCCC(=O)N[C@H]1CN(C(=O)c2cnnn2C)C[C@H]1C 1072003443 QNBBPZDBKOGGQT-NEPJUHHUSA-N 319.365 -0.568 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC[C@@H]2CN(C(=O)C(N)=O)C[C@@H]2CC1 1074323616 IKBYDBPFTKSYTR-OZVIIMIRSA-N 323.393 -0.504 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CCN(C(=O)[C@@H]2CCCN2C)CC1 1074518898 WKKSVTPCULSFBO-OLZOCXBDSA-N 322.409 -0.290 30 20 DBED C#CCCCC(=O)N1CC[C@H](NC(=O)CNC(N)=O)C[C@@H]1C 1074819473 UEXMGVJGKMSYHW-RYUDHWBXSA-N 308.382 -0.046 30 20 DBED C[C@@H](CCNC(=O)c1cc(C#N)c[nH]1)NC(=O)CNC(N)=O 1076072329 FLXVHSMOKNLQSZ-QMMMGPOBSA-N 306.326 -0.821 30 20 DBED C#CCCN1C[C@@H]2CCN(C(=O)c3cnc(O)n(C)c3=O)[C@@H]2C1 1076120869 HITQNHDARPXMQC-WCQYABFASA-N 316.361 -0.345 30 20 DBED C[C@@H](CCNC(=O)c1cnnn1C)NC(=O)CSCC#N 1076334597 ZEQDKQMSABPWGP-VIFPVBQESA-N 310.383 -0.304 30 20 DBED C#CCO[C@H](C)C(=O)NCC[C@H](C)NC(=O)c1cnn(C)n1 1076507295 BDCWCFZIUWMDQB-WDEREUQCSA-N 307.354 -0.522 30 20 DBED C#CCO[C@H](C)C(=O)NCC[C@H](C)NC(=O)Cc1nonc1C 1076509390 WKMPDRJHZIVVEW-CMPLNLGQSA-N 322.365 -0.030 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)[C@H](C)OCC#C 1076510417 LBWUKKIQAZHALT-STQMWFEESA-N 321.377 -0.825 30 20 DBED C=CCOCC(=O)N[C@@H](C)CCNC(=O)c1cn(C)c(=O)n1C 1077039530 CFCFMFTYDKBYMA-NSHDSACASA-N 324.381 -0.449 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3nnc(O)n3C2)C1 1077256037 YPHCCRVYHDACMR-QJPTWQEYSA-N 321.381 -0.717 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3nc(C)nn3C2)C1 1077433009 IIERIKZXMHYHDT-MGPQQGTHSA-N 319.409 -0.114 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)C2CCN(C(=O)C(C)C)CC2)C1 1077486560 FNNSDCXWOZIJLL-HUUCEWRRSA-N 321.421 -0.325 30 20 DBED C#CCOCCC(=O)N[C@@H](C)CCNC(=O)[C@]1(C)CCC(=O)N1 1078250579 YNONHGGCJDZWMK-LRDDRELGSA-N 323.393 -0.294 30 20 DBED C[C@@H](C#N)C(=O)N1CCCO[C@H](CNCc2cnnn2C)C1 1078358505 QUOLKLCBCAVRSE-WCQYABFASA-N 306.370 -0.318 30 20 DBED C#CCN[C@@H]1C[C@@H](NC(=O)CN2C(=O)CNC2=O)C12CCC2 1078804587 XFAGQKDDUXIOEM-GHMZBOCLSA-N 304.350 -0.812 30 20 DBED C#CCOCCC(=O)N1CCC(CO)(NC(=O)COC)CC1 1080676782 MVHQQYLLRZMJBK-UHFFFAOYSA-N 312.366 -0.858 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C(C)(C)C(N)=O)C1 1081557868 BTJFKRFVPBPBFH-NWDGAFQWSA-N 323.393 -0.907 30 20 DBED C#CCCCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2nc[nH]n2)C1 1081652432 AVSAJKCKXCFIDK-NWDGAFQWSA-N 319.365 -0.453 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)[C@H]2CCCCC(=O)N2)C1 1083769709 FIZWKMZMJJUZTM-UTUOFQBUSA-N 315.801 -0.041 30 20 DBED C#CCN1CC[C@H]1CN(C)C(=O)[C@H]1CCc2nnnn2CC1 1085829449 XSJBORBJZGZODS-STQMWFEESA-N 302.382 -0.209 30 20 DBED CC#CCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CN(C(C)=O)CCO1 1085952422 BOHSOBKMHDQQNA-CABCVRRESA-N 307.394 -0.210 30 20 DBED N#CCN[C@H]1CCCCCN(C(=O)C[C@H]2CC(=O)NC2=O)C1 1088435856 RGWZMQBVDYLUKN-NEPJUHHUSA-N 306.366 -0.076 30 20 DBED N#Cc1cncc(NCC2(CCNC(=O)CNC(N)=O)CC2)n1 1089902922 DBBOBXJMOMREKI-UHFFFAOYSA-N 317.353 -0.285 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(c2ncccn2)C[C@H]1C 1090702670 JNBHKGYIMVTIRP-VXGBXAGGSA-N 301.350 -0.443 30 20 DBED C#CCN1CC[C@H](NC(=O)c2nccn3cc(C)nc23)[C@@H](O)C1 1090708798 YIQVOMCVGMBPMB-STQMWFEESA-N 313.361 -0.164 30 20 DBED N#Cc1nccnc1N[C@@H]1CCCC[C@H]1NC(=O)CNC(N)=O 1091232416 NZCAXYGEMBIKRZ-NXEZZACHSA-N 317.353 -0.144 30 20 DBED CCOCC(=O)N[C@H]1CCN(c2ccnc(C#N)n2)C[C@@H]1O 1092129255 PKYCROSQYZZTRK-QWRGUYRKSA-N 305.338 -0.559 30 20 DBED COC[C@]1(C(=O)NCCNc2nccnc2C#N)CCOC1 1094009505 CSFGGBBBYJNWDR-CQSZACIVSA-N 305.338 -0.071 30 20 DBED C#CCCN1CC(n2cc(CNC(=O)c3ccncn3)nn2)C1 1094327580 GEYDUYGZXGALAO-UHFFFAOYSA-N 311.349 -0.122 30 20 DBED N#Cc1c[nH]ccc1=NCCCNC(=O)CN1CCOCC1 1094371340 DOPJOBJBEZGUQL-UHFFFAOYSA-N 303.366 -0.374 30 20 DBED C#CCN1CCN(C(=O)c2cnc(C)[nH]2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094614832 QPTXHTOHBVBVFR-QWHCGFSZSA-N 322.390 -0.725 30 20 DBED N#CCN1CCN(C(=O)[C@@H]2C[C@H]2C2CC2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094667938 ZNLNVEUQJVYTRS-RFQIPJPRSA-N 323.418 -0.134 30 20 DBED C#CCCN1CC(N2C[C@H](NC(=O)[C@@H]3CCCN3C)CC2=O)C1 1094714643 YXOVHWBUHPJOLT-HIFRSBDPSA-N 318.421 -0.495 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)Cc3n[nH]c(C)n3)CC2=O)C1 1094733118 GCDMFDBJIGSFKD-NSHDSACASA-N 318.381 -0.757 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)c3cccnn3)CC2=O)C1 1094798806 BSZYHCUNXFQUQP-NSHDSACASA-N 301.350 -0.323 30 20 DBED CN(CCCNC(=O)[C@@H]1CCNC(=O)C1)c1ccnc(C#N)n1 1095516376 SCBKCCZLEIRGKN-LLVKDONJSA-N 316.365 -0.183 30 20 DBED CNC(=O)C1(C(=O)NCCCN(C)c2nccnc2C#N)CC1 1095589301 YCVYZVHNEWRBJI-UHFFFAOYSA-N 316.365 -0.183 30 20 DBED CCOCCOCC(=O)N1CC[C@H](N=c2cc[nH]c(C#N)n2)C1 1096942868 MBCSISBFXSUKIZ-LBPRGKRZSA-N 319.365 -0.164 30 20 DBED CCC(=O)NCC(=O)N[C@H]1C[C@@H](Nc2nccnc2C#N)C1 1097165246 YHWNWOGFNJYJOW-AOOOYVTPSA-N 302.338 -0.066 30 20 DBED CNC(=O)NC(C)(C)C(=O)NC[C@@H](C)Nc1nccnc1C#N 1097889205 HULJSHBEHMZIDU-SECBINFHSA-N 319.369 -0.028 30 20 DBED C[C@@H](CCNC(=O)CN1CCCC1=O)N=c1cc[nH]c(C#N)n1 1098817165 HJJDXXJHZQGVEB-NSHDSACASA-N 316.365 -0.301 30 20 DBED N#CCNC(=O)CN1CC[C@H](NC(=O)c2ccco2)[C@@H](O)C1 1099624900 UVROEHNFSYKFOG-QWRGUYRKSA-N 306.322 -0.916 30 20 DBED CCOCCN1CC[C@@H](NC(=O)CSCC#N)[C@@H](O)C1 1099687529 WPFODQHLHHACEH-NEPJUHHUSA-N 301.412 -0.169 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)Cc2cc(C)on2)[C@@H](O)C1 1099744779 XGMWVNRLBKBVJA-CABCVRRESA-N 321.377 -0.273 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2cnc(C)n2C)[C@@H](O)C1 1099964705 QQTDZCUFYSPWLQ-HIFRSBDPSA-N 320.393 -0.457 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)CCCC2CC2)[C@H](O)C1 1099967698 RTBVVOGRUORCOT-LSDHHAIUSA-N 321.421 -0.133 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CCc2cncn2C)[C@H](O)C1 1100094887 UNOFKKIPGSJDGH-HUUCEWRRSA-N 304.394 -0.073 30 20 DBED CN(CCNC(=O)Cn1ccccc1=O)c1nccnc1C#N 1100108859 JIXMOOYMKCDJNG-UHFFFAOYSA-N 312.333 -0.237 30 20 DBED CN(CCNC(=O)[C@]1(C)CNC(=O)C1)c1ccc(C#N)nn1 1100246687 JWXJRTWAJHBVEP-AWEZNQCLSA-N 302.338 -0.573 30 20 DBED COCC(=O)N[C@@H](C)C(=O)NCCN(C)c1nccnc1C#N 1100378167 GRHCCCZTUHJXPZ-JTQLQIEISA-N 320.353 -0.948 30 20 DBED C=C(C)CNC1CC(CNC(=O)CN2C(=O)CN(C)C2=O)C1 1100954900 ZOERLGNIMAXQCS-UHFFFAOYSA-N 308.382 -0.059 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)CNC(N)=O)c3nccn32)C1 1101607828 ZCZZOEFOXKLZBN-NSHDSACASA-N 316.365 -0.853 30 20 DBED CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N(C)CCN=c1cc[nH]cc1C#N 1101972224 QLFKUDFPKMIDJD-OLZOCXBDSA-N 315.377 -0.030 30 20 DBED CCCN(C(=O)C(N)=O)[C@@H]1CCN(c2nc(C)cc(C#N)n2)C1 1102262420 YUONABFUHOXGDA-GFCCVEGCSA-N 316.365 -0.041 30 20 DBED CC[C@@H](CNC(=O)Cn1cnnn1)Nc1cnc(C#N)cn1 1102968916 QHLUSEIFNODCLT-VIFPVBQESA-N 301.314 -0.658 30 20 DBED C=CCN1CC[C@H](N2C[C@@H](C)[C@H](CCNC(=O)C(N)=O)C2)C1=O 1103390472 WQIMCDRQKMKLJM-UPJWGTAASA-N 322.409 -0.667 30 20 DBED C[C@H](CNC(=O)CNC(N)=O)CNc1ncc(C#N)cc1F 1103870061 QLTHKVXQTDQEHC-MRVPVSSYSA-N 308.317 -0.075 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CN(c2ccnc(C#N)n2)CCO1 1104301886 MMQBWQCMSGBDES-MNOVXSKESA-N 300.322 -0.171 30 20 DBED CNC(=O)CC(=O)NC[C@H]1CN(c2ccncc2C#N)CCO1 1104308651 QWANTUSOUUGMEP-LBPRGKRZSA-N 317.349 -0.589 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)[C@@H](C)n1cncn1 1104528303 RVPLJBKFWYDTML-WDEREUQCSA-N 314.353 -0.118 30 20 DBED Cc1cc(=NC[C@@H](C)N(C)C(=O)Cn2ncnn2)c(C#N)c[nH]1 1104688437 HGAVMISPFVOGOT-LLVKDONJSA-N 314.353 -0.371 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)C[C@@H]1CCNC1=O 1104712302 KZHXJMWNJBOQKP-QWRGUYRKSA-N 316.365 -0.445 30 20 DBED CN(C)CCCCC(=O)NC[C@H](O)CNc1cncc(C#N)n1 1105908627 VKGJWHBGONPDET-CYBMUJFWSA-N 320.397 -0.031 30 20 DBED C[C@H](CCN=c1cc[nH]cc1C#N)NC(=O)c1nnn(C)n1 1106524009 XKVRPMJGACUQGM-SECBINFHSA-N 300.326 -0.481 30 20 DBED N#Cc1ccc(NC/C=C/CNC(=O)CNC(=O)C2CC2)nn1 1107061802 SIURZKGYAHYCER-OWOJBTEDSA-N 314.349 -0.041 30 20 DBED C=C[C@@](C)(O)CC(=O)NCc1cn(C2CN(CCCO)C2)nn1 1107164102 PVBAWAXXZGUTJN-OAHLLOKOSA-N 323.397 -0.540 30 20 DBED C=CCNC(=O)[C@H](C)N1CCO[C@](C)(CNC(=O)COC)C1 1107658922 CBQIDXNFXNJWHL-SWLSCSKDSA-N 313.398 -0.469 30 20 DBED C[C@H](CC(=O)N[C@H](C)CNc1ccc(C#N)nn1)NC(N)=O 1107950283 DJSCPDZAQAWTQK-RKDXNWHRSA-N 305.342 -0.288 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)CCCCNC(N)=O 1107999617 YTCRUPOYFZXDIY-SNVBAGLBSA-N 319.369 -0.475 30 20 DBED COCc1nn(C)cc1C(=O)NC[C@]1(C)CN(CC#N)CCO1 1108036636 VIRRDNPQHZRIOW-OAHLLOKOSA-N 321.381 -0.089 30 20 DBED CC#CCN1CCO[C@@](C)(CNC(=O)C(=O)NCC(F)F)C1 1108040980 YKWCUFQGBWKHOG-AWEZNQCLSA-N 317.336 -0.402 30 20 DBED CCn1nc(C)c(C(=O)N[C@@H](C)CN=c2cc[nH]c(C#N)n2)n1 1108435035 GVQWFNLAPGZLEX-VIFPVBQESA-N 314.353 -0.080 30 20 DBED C[C@@H](CNc1nccnc1C#N)NC(=O)[C@H]1CCC(=O)NC1 1108776750 MBACSFITZJTSRQ-UWVGGRQHSA-N 302.338 -0.209 30 20 DBED C[C@@H](CNc1cnc(C#N)cn1)NC(=O)c1cn(C)c(=O)cn1 1108792989 OQXHTFYLENHPRD-VIFPVBQESA-N 313.321 -0.328 30 20 DBED C[C@H](CN(C)c1cnc(C#N)cn1)NC(=O)Cc1nc[nH]n1 1109081247 PCDAMEASCQAIEI-SECBINFHSA-N 300.326 -0.350 30 20 DBED CNC(=O)NCCC(=O)NCC1(Nc2cncc(C#N)n2)CC1 1110129662 VAEYOUJXNPXRJC-UHFFFAOYSA-N 317.353 -0.272 30 20 DBED COC[C@H](C)C(=O)NC[C@@]1(O)CCN(c2ccnc(C#N)n2)C1 1111044396 XFFSVHXLBGTBLF-NHYWBVRUSA-N 319.365 -0.312 30 20 DBED N#Cc1ccc(N2CC[C@@](O)(CNC(=O)c3cnon3)C2)cn1 1111091807 YLRXLXIPIINERW-CQSZACIVSA-N 314.305 -0.293 30 20 DBED N#Cc1ccc(NCC[C@H]2CCN(C(=O)CNC(N)=O)C2)nn1 1111593439 JFTPNLVHGHTSGA-JTQLQIEISA-N 317.353 -0.333 30 20 DBED C#CCOCCC(=O)NC[C@H]1COCCN1c1ncccn1 1111700126 JJJDLYQGFCVOTP-ZDUSSCGKSA-N 304.350 -0.162 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@@H]2CCC[C@]2(NC(=O)C(N)=O)C1 1111856644 AHFVENJMPXLWRN-ZETOZRRWSA-N 308.382 -0.867 30 20 DBED CC(=O)NCC(=O)N[C@H]1CCN(c2ccnc(C#N)n2)[C@@H](C)C1 1112467861 UMMBOANMFZBIOI-JQWIXIFHSA-N 316.365 -0.042 30 20 DBED CSCC(=O)NC[C@H]1CN(c2cnc(C#N)cn2)C[C@H]1O 1112698493 XEFJQGIDKDLRKT-GXSJLCMTSA-N 307.379 -0.375 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)c2cnnn2CC)CC1 1112820951 CEVJLTATXBAOHZ-GFCCVEGCSA-N 318.381 -0.806 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)Cc2ccc(O)nc2)CC1 1113113615 DFGMMTZBXLANIF-UHFFFAOYSA-N 316.361 -0.777 30 20 DBED Cc1nc(C(=O)N2CCN(CC(=O)NCC#N)CC2)c(C)o1 1113451922 RPEHOWKHFUSOCO-UHFFFAOYSA-N 305.338 -0.311 30 20 DBED COC[C@H](OC)C(=O)NC[C@@H](C)N(C)c1cncc(C#N)n1 1113856697 CUAVWNUOAQGNBY-PWSUYJOCSA-N 307.354 -0.049 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)C[C@H]3CCCO3)[C@H]2C1 1113925663 QQCIYEBJAUWYNW-FOCJUVANSA-N 307.394 -0.096 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)c3cn(C)nn3)[C@H]2C1 1114218034 ZUMBEACZXSGXPD-MEWQQHAOSA-N 318.381 -0.834 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)CN(C)C(=O)C(C)C)[C@@H]2C1 1114362057 YQSMPAFRTOHTIX-ZIAGYGMSSA-N 321.421 -0.203 30 20 DBED N#CCNC(=O)CN1C[C@H]2C(NC(=O)c3cc(F)c[nH]3)[C@@H]2C1 1114581854 NIMTYKJXSWYLEB-NXEZZACHSA-N 305.313 -0.546 30 20 DBED N#C[C@@]1(F)CCN(C(=O)C(=O)N[C@H]2CCN(CC(F)F)C2)C1 1118117686 LFPTVCXTEWKTON-ZANVPECISA-N 318.299 -0.094 30 20 DBED C[C@@H](CN(C)C(=O)C1(C(N)=O)CC1)N=c1cc[nH]c(C#N)n1 1120555279 PYJYJTALZWQMPQ-VIFPVBQESA-N 302.338 -0.706 30 20 DBED C#CCOCCC(=O)NC1CC2(C1)CC(N[C@@H]1CCNC1=O)C2 1121102238 AUTHSEZDPLEWLS-OPFKTAGGSA-N 319.405 -0.068 30 20 DBED CC(C)(C)C(=O)C(=O)NC[C@H](CO)Nc1ccc(C#N)nn1 1121228473 HXDBYUFHQCRTOJ-SNVBAGLBSA-N 305.338 -0.148 30 20 DBED Cc1ncc(C(=O)NC[C@@H](CO)N=c2cc[nH]cc2C#N)[nH]1 1121234710 GNKLAHOQJADTJM-NSHDSACASA-N 300.322 -0.391 30 20 DBED N#Cc1cnc(N[C@@H](CO)CNC(=O)[C@H]2CCC(=O)N2)c(F)c1 1121235744 RCGKQFRJIORFNF-MWLCHTKSSA-N 321.312 -0.740 30 20 DBED Cc1nc(C(=O)NC[C@@H](CO)Nc2ccc(C#N)nn2)co1 1121372039 SUWONEGEKUYKBD-JTQLQIEISA-N 302.294 -0.153 30 20 DBED C#CCCCC(=O)N(C)C[C@H](O)CNc1ccc2nnnn2n1 1124278780 OFWHYWKTWGHSGC-LLVKDONJSA-N 317.353 -0.446 30 20 DBED CN(C[C@H](O)CNc1ccc(C#N)cn1)C(=O)c1ncn(C)n1 1124295863 OBCJTYDHYZDVHF-LLVKDONJSA-N 315.337 -0.373 30 20 DBED Cc1nonc1C(=O)N(C)C[C@@H](O)CNc1ccc(C#N)nn1 1124399103 ISFOPHHGLMRGQK-JTQLQIEISA-N 317.309 -0.415 30 20 DBED CN(CCOCCNc1ccc(C#N)cn1)C(=O)CC(N)=O 1127247620 HKXFPHIHJLHHFH-UHFFFAOYSA-N 305.338 -0.284 30 20 DBED N#CCN1CCn2ncc(CNC(=O)C[C@@H]3CCC(=O)N3)c2C1 1128521833 SDJFTKZNXUNKFH-LBPRGKRZSA-N 316.365 -0.493 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H](C)OCCOC)C1 1129301419 QWGJERWGZJJMKY-MCIONIFRSA-N 321.381 -0.696 30 20 DBED C#CCN[C@@H]1CN(C(=O)CCC(=O)NCC)C[C@@H]1n1ccnn1 1129695918 JMOXTWYSQGQWPW-OLZOCXBDSA-N 318.381 -0.831 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CCCn2nccc21 1130442328 PATNUNZSFRKEFH-CHWSQXEVSA-N 317.393 -0.396 30 20 DBED C=CCN1C[C@H]2C[C@@H]3CN(C(=O)CCNC(N)=O)C[C@@]3(C1)O2 1131288962 BROFAPIJNVHOQB-LALPHHSUSA-N 308.382 -0.468 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1131524265 DWOFVEGPDUKCRG-IIEFLBBWSA-N 305.378 -0.747 30 20 DBED CCC(=O)N1C[C@@H](C)O[C@]2(CCN(CC(=O)NCC#N)C2)C1 1131615066 CPSPZQCYBDQVTR-DOMZBBRYSA-N 308.382 -0.272 30 20 DBED CCC(=O)NCC(=O)N[C@@H]1CC[C@@H](C)N(CC(=O)NCC#N)C1 1131909478 XZEKOTIOVKLWPO-VXGBXAGGSA-N 323.397 -0.879 30 20 DBED C#CCNC(=O)CN1C[C@H](NC(=O)c2cnn[nH]2)CC[C@H]1C 1132144652 IGJIHKFXSBXADQ-GHMZBOCLSA-N 304.354 -0.863 30 20 DBED N#Cc1cccc(OCC(=O)NCc2nnc3c(=O)[nH]ccn23)c1 1133891234 ZFTIQCBKCZZNHP-UHFFFAOYSA-N 324.300 -0.016 30 20 DBED CC#CCN1CCCO[C@H](CNC(=O)CCS(C)(=O)=O)C1 1149913024 BBTMVXJAOUEEAA-CYBMUJFWSA-N 316.423 -0.349 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)c2cc[n+]([O-])cc2)C1=O 1154377786 JGYKTSZLTZHFNB-CQSZACIVSA-N 318.377 -0.184 30 20 DBED C#CCNC(=O)CC(=O)NCCCN[C@@H](C)c1nnc(CC)o1 1156852606 GVIXXKIZVOJKSO-NSHDSACASA-N 321.381 -0.072 30 20 DBED CO[C@@H](C)C(=O)N1CCCC[C@@H]1CN(C)CC(=O)NCC#N 1157614626 PPKKCFUXZBWKDN-QWHCGFSZSA-N 310.398 -0.026 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)c1ccc(C(N)=O)o1 1162193468 MAEODQFCGAYALQ-JTQLQIEISA-N 320.349 -0.774 30 20 DBED C=CCNC(=O)CNCCCNC(=O)c1ncc(OC)cn1 1162213719 JWAINHRMWHBCSV-UHFFFAOYSA-N 307.354 -0.503 30 20 DBED N#CCNC(=O)CNCCCNC(=O)[C@@H]1C[C@H]1c1cccnc1 1167117036 VPWSWGJUIJKHPH-UONOGXRCSA-N 315.377 -0.079 30 20 DBED CCn1nc(C(=O)NCCCNCC#CCOC)ccc1=O 1168675195 SMELFVIYMMZBOZ-UHFFFAOYSA-N 306.366 -0.378 30 20 DBED C[C@@H](CCCCNCC#N)NC(=O)c1cc(=O)n2[nH]cnc2n1 1176145360 WQVONPLABMKKNI-JTQLQIEISA-N 317.353 -0.181 30 20 DBED C#CCN1CCC(C(=O)NCCCN[C@@H](C)C(=O)N(C)C)CC1 1176926948 ZLTIJZJCXIAVDX-AWEZNQCLSA-N 322.453 -0.096 30 20 DBED C#CCNC(=O)CC(=O)NCCCCCCN[C@@H](C)C(N)=O 1178262282 HJDHZOUDCGPZJU-LBPRGKRZSA-N 310.398 -0.734 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2nn(C)cc2C)[C@H]1C 1178662950 IAFSFTSTRIIYHO-STQMWFEESA-N 317.393 -0.329 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2nn(C)cc2Cl)C1 1182818448 GBLQDTLKZDTYAN-SNVBAGLBSA-N 323.784 -0.373 30 20 DBED CC#CCN[C@@H]1CCN(C(=O)[C@@H](CCC)S(N)(=O)=O)C1 1184594754 VWOPODYFJKRVOR-VXGBXAGGSA-N 301.412 -0.343 30 20 DBED C#CCOCCC(=O)N1CC[C@H]2CN([C@H](CC)C(N)=O)C[C@H]21 1187874285 QPZZLVLOBFRLSC-BFHYXJOUSA-N 307.394 -0.177 30 20 DBED C#CCN(C)[C@H]1CCN(C(=O)CNC(=O)c2ccncc2)C1 1190307645 LEOXQMPMZBBICF-AWEZNQCLSA-N 300.362 -0.023 30 20 DBED Cn1ccnc1CN1C[C@@H](O)[C@H](NC(=O)CSCC#N)C1 1191161568 DSYNRTDUXKVZFJ-GHMZBOCLSA-N 309.395 -0.662 30 20 DBED C=CCCO[C@@H](C)C(=O)N[C@@H]1CN(CCOCCO)C[C@H]1O 1191615478 XTQKQYNTIRAMFS-BFHYXJOUSA-N 316.398 -0.862 30 20 DBED C=CCNC(=O)[C@H](C)N(C)[C@H]1CCN(C(=O)c2[nH]nnc2C)C1 1191675595 ZFLZWUCOWYEQKH-RYUDHWBXSA-N 320.397 -0.050 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(CC(=O)N[C@H](C)CC)C[C@H]1O 1191770587 FYBIRBQGUAUVHK-JHJVBQTASA-N 313.398 -0.735 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CN(Cc2nsc(N(C)C)n2)C[C@H]1O 1191855063 VUJXOIHEQACFMT-IVZWLZJFSA-N 324.410 -0.575 30 20 DBED C=CCCN(C)[C@@H]1CCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)C1 1192671801 QOODZGIDMCRTEV-LLVKDONJSA-N 322.365 -0.484 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)CC(=O)N(C)C)C1 1192723206 CSUVRFVGFNNHCC-GFCCVEGCSA-N 310.398 -0.700 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2cscn2)C[C@H]1O 1192879299 WGYCEBBPBQHVAE-CHWSQXEVSA-N 309.391 -0.156 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)NC(=O)CC)C1 1193180726 BFWVYMLFLWDGKY-GMTAPVOTSA-N 303.790 -0.185 30 20 DBED Cc1nccn1CC(=O)N1CC[C@@H](N(C)CC(=O)NCC#N)C1 1194028376 ZASLZMCSIQBGRY-CYBMUJFWSA-N 318.381 -0.636 30 20 DBED COCC[C@H](C)C(=O)N1CC[C@@H](N(C)CC(=O)NCC#N)C1 1194143927 FGGFBKVQEBUXCQ-QWHCGFSZSA-N 310.398 -0.169 30 20 DBED N#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC=CCC2)C1 1195294047 IGZJNEMHDQVMJO-BFHYXJOUSA-N 320.393 -0.466 30 20 DBED C#CCCCCCC(=O)N[C@@H]1CN([C@@H]2CCNC2=O)C[C@H]1O 1195339502 YUTJZBHAMQVLDB-MGPQQGTHSA-N 307.394 -0.380 30 20 DBED C[C@H]1OCCC[C@@H]1C(=O)N1CCCN(CC(=O)NCC#N)CC1 1195659594 IERIPPPWUNCYHJ-KGLIPLIRSA-N 322.409 -0.024 30 20 DBED C#CCNC(=O)[C@H](C)N1CCCN(C(=O)Cc2cnc[nH]2)CC1 1197269085 BSMUGZBLYHALIF-ZDUSSCGKSA-N 317.393 -0.376 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C[C@H](C)C(C)(C)C)C1 1198151286 LYVMNSJWMLDLLS-BFHYXJOUSA-N 323.437 -0.031 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)CC[C@]2(C)CCC(=O)N2)C1 1199592102 VCZKBCAJTWRRHR-XJKCOSOUSA-N 307.394 -0.380 30 20 DBED CC(C)C#CC(=O)N1CCCO[C@@H](CNCc2nnn(C)n2)C1 1200461272 GRWWLVQBLQBMBT-ZDUSSCGKSA-N 320.397 -0.423 30 20 DBED C[C@@H](CN1CCOCC1)C(=O)N1CCCO[C@@H](CNCC#N)C1 1202068478 JYAOWFXAXLRHPM-GJZGRUSLSA-N 324.425 -0.315 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)Cc2cnc[nH]2)CC1 1202669079 WTPBMVBJGWHPEL-UHFFFAOYSA-N 305.382 -0.165 30 20 DBED N#CCNC(=O)CN[C@H]1C[C@H]2CC[C@H]1N(C(=O)C(F)F)C2 1203844028 VTYQMYWPGGFVBZ-KXUCPTDWSA-N 300.309 -0.140 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2ncccc2O)[C@H](C)C1 1206892679 BZQBMBDLJDYSDG-VXGBXAGGSA-N 316.361 -0.413 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)C2=COCCO2)C1 1207152518 ZCMDUJIPZIDBAV-CHWSQXEVSA-N 321.377 -0.407 30 20 DBED Cc1ocnc1C(=O)N1CCC[C@@H](NCC(=O)NCC#N)C1 1207555438 ACZTXOZAVMQHML-LLVKDONJSA-N 305.338 -0.183 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)c2[nH]nnc2C)C1 1208908884 BMHDMVFMIZDNEY-VXGBXAGGSA-N 320.397 -0.002 30 20 DBED C=CCCn1cc(C(=O)N2CCC[C@H](NCC(=O)NC)C2)nn1 1210051375 IOWWBTKUFNNUMT-LBPRGKRZSA-N 320.397 -0.206 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)c2[nH]c(C)nc2C)C[C@H]1C 1215574722 CEALHDFNQQTDMA-ZWNOBZJWSA-N 317.393 -0.174 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C 1216853424 AYEVGKLIOFXENC-RBSFLKMASA-N 322.453 -0.099 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2ccncc2F)C1 1219404243 KCXJROZYFDSQSZ-OLZOCXBDSA-N 322.340 -0.702 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2cncn2C)C[C@@H]1O 1219605100 JAEQFOXHXWEYDQ-BNOWGMLFSA-N 306.366 -0.880 30 20 DBED C#CCC1(C(=O)N[C@@H]2CN(CC#CC)C[C@@H]2O)CCOCC1 1219783763 GJEMLRMLDVFPFT-CABCVRRESA-N 304.390 -0.009 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)CCC(F)F)C1 1220017954 SGVUNXFNTVWDGS-ZJUUUORDSA-N 305.325 -0.505 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C2(C)C[C@H]3C[C@@H]3C2)C1 1220051853 NSXFLFBSWCFCSK-SYQHCUMBSA-N 321.421 -0.114 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)COCC(F)F)C1 1220068447 GPRBLLAAZLKQCM-MNOVXSKESA-N 306.309 -0.921 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1ccon1 1225079640 GAJTYHULWSFWIV-GHMZBOCLSA-N 305.338 -0.055 30 20 DBED CC(C)C#CC(=O)NC1CCN([C@H](C)C(=O)NC(N)=O)CC1 1227265078 DDCOGBGSWVUSIU-LLVKDONJSA-N 308.382 -0.190 30 20 DBED CN1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NCC#N)C1 1230138234 LIJFRKDJEILIKL-BFHYXJOUSA-N 321.425 -0.405 30 20 DBED COCCCNC(=O)CN1CC[C@@H]1CN(C)C(=O)[C@H](C)C#N 1231245890 BTVZTHAJGYAAIK-CHWSQXEVSA-N 310.398 -0.169 30 20 DBED C=CC[C@@H](CC)NC(=O)C(=O)N1CCN(C(=O)COC)CC1 1258511886 BAUJXGVQUICUMD-GFCCVEGCSA-N 311.382 -0.226 30 20 DBED N#CCNC(=O)CNC(=O)N1CC[C@H](C(F)(F)F)[C@H](CN)C1 1261817936 HBVODJBFLPSIMF-BDAKNGLRSA-N 321.303 -0.205 30 20 DBED Cc1ccc(NC(=O)C(=O)NCC(=O)NCC#N)c(Cl)n1 1262672242 NNSZZGOSNOXRCP-UHFFFAOYSA-N 309.713 -0.262 30 20 DBED Cc1cc(NC(=O)C(=O)NC[C@H](O)C2CC2)n(CCC#N)n1 1319960180 LSLFYSKMAXZUPP-NSHDSACASA-N 305.338 -0.069 30 20 DBED C=CCNC(=O)C[S@](=O)Cc1nnnn1CC(F)(F)F 1321861857 XYHFQZCKKULXBB-HXUWFJFHSA-N 311.289 -0.214 30 20 DBED N#CC1(NC(=O)COC(=O)[C@@H]2CCS(=O)(=O)C2)CCC1 1322591490 KSCCSEWYJAFEIL-SECBINFHSA-N 300.336 -0.473 30 20 DBED Cc1nn(C)c(N2CCOCC2)c1C=NN1C(=O)CNC1=O 1323351816 VIAMKXKATOCZGO-UHFFFAOYSA-N 306.326 -0.549 30 20 DBED COC(=O)[C@]1(C)CCN(C(=O)C(=O)N2CC[C@](F)(C#N)C2)C1 1325375948 QABYHRJCONHRFQ-KGLIPLIRSA-N 311.313 -0.138 30 20 DBED C#CCNC(=O)C1CCN(C(=O)COCc2ccnn2C)CC1 1325926717 ZNWOHHNRJABEFG-UHFFFAOYSA-N 318.377 -0.075 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@H](CNC)C2)C1=O 1326308412 ACTKVCQKWGAICU-SNVBAGLBSA-N 308.338 -0.969 30 20 DBED C=CCN(CC=C)C(=O)C(=O)N1C[C@@H](O)C[C@H](C(=O)OC)C1 1326512184 CGJNFDAOUQUXFU-RYUDHWBXSA-N 310.350 -0.431 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)c1cc(S(N)(=O)=O)cn1C 1328275538 ZOBRNJVUWGPLFN-MRVPVSSYSA-N 315.351 -0.828 30 20 DBED C=CCOCCNC(=O)C(=O)NCCN1CCSCC1 1328697488 WKLZZPOZQZMKJU-UHFFFAOYSA-N 301.412 -0.530 30 20 DBED C=C[C@H](CO)NC(=O)C(=O)Nc1ccc2c(c1)CCNC2=O 1329795269 RQSBORISQIAMRL-SNVBAGLBSA-N 303.318 -0.426 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](C)n2cccc2)CC1 1329854161 HJXBNQSBWPPTAQ-ZDUSSCGKSA-N 324.406 -0.339 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@H]1CCCN(CC)C1=O)[C@H]1CCCO1 1334244748 MUQDDCASQWNUKJ-RWMBFGLXSA-N 321.377 -0.590 30 20 DBED C=CCn1c([C@@H](C)O)nnc1N1CCO[C@H](CNC(C)=O)C1 1339584533 ZOKLMSSONSTJGK-ZYHUDNBSSA-N 309.370 -0.141 30 20 DBED C#CCCCCNC(=O)C(=O)N[C@@H](C)CS(=O)(=O)CC 1342181972 AIIORHPYSLHWNB-NSHDSACASA-N 302.396 -0.155 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N(C)C[C@@H]2CCC[C@@H]2O)nn1 1349044727 DGFKXHZSUJTXSM-AAEUAGOBSA-N 321.381 -0.300 30 20 DBED N#Cc1cn(CCC(=O)N2CCCC[C@@H]2CCO)c(=O)nc1O 1361806677 AZADBRPCKPFSTI-GFCCVEGCSA-N 320.349 -0.026 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)c2cccc(CS(N)(=O)=O)c2)C1 1363131040 ZQNJOKIIDCHPDG-CQSZACIVSA-N 323.374 -0.034 30 20 DBED Cc1nc(C(=O)NC[C@]2(O)CCS(=O)(=O)C2)ccc1C#N 1363241827 UJYPOHQZOGGSMD-CYBMUJFWSA-N 309.347 -0.459 30 20 DBED CN(C)C(=O)Cn1cc(C(=O)NCC2(C#N)CCOCC2)nn1 1363698753 VRFSFLUXXONYQY-UHFFFAOYSA-N 320.353 -0.584 30 20 DBED N#C[C@H]1CN(S(=O)(=O)NCc2cncc(F)c2)CCO1 1364027570 PKUKWIVWNSTGIU-NSHDSACASA-N 300.315 -0.221 30 20 DBED Cc1c(C#N)c(=O)n(C[C@H]2CCCS(=O)(=O)C2)c(=O)n1C 1364615803 XPBGIVIJZUFUNT-SNVBAGLBSA-N 311.363 -0.448 30 20 DBED C=C(Cl)CN1CC(O)(CNC(=O)[C@@H](C)CS(C)(=O)=O)C1 1376303781 GOTJERDDZMGAIN-VIFPVBQESA-N 324.830 -0.418 30 20 DBED C[C@H](C#N)C(=O)N(C)CC1CCN(C(=O)[C@@H]2COC(=O)N2)CC1 1388906260 LOIUVPMMPCYRMG-PWSUYJOCSA-N 322.365 -0.049 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@]1(C)CCN(C(=O)C2(NC(N)=O)CC2)C1 1390271212 CYRNQPXQJYWPJJ-IINYFYTJSA-N 321.381 -0.298 30 20 DBED COc1cc(C(=O)NC[C@@H](O)CNC(=O)[C@@H](C)C#N)sn1 1392100009 BEWVCSBMXUBMCB-YUMQZZPRSA-N 312.351 -0.482 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(Cc2ccn(C)c(=O)c2)C1 1402327427 ZZQRILRYLYLAKR-LLVKDONJSA-N 304.350 -0.792 30 20 DBED C=C(Cl)CN[C@@H](C)CCNC(=O)c1cn(CC(N)=O)nn1 1403497875 ZIZJLQRMMNPSIN-VIFPVBQESA-N 314.777 -0.386 30 20 DBED C[C@@H](C#N)C(=O)N(CCNC(=O)[C@H]1CN(C)CCO1)C1CC1 1408905969 CEPXWQYYOFKAHD-WCQYABFASA-N 308.382 -0.416 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1nn(C)cc1Cl 1410115356 ATLOUZABNXPDQK-SFYZADRCSA-N 313.745 -0.560 30 20 DBED C[C@H](CN(C)C(=O)[C@@H]1CCC(=O)N1)NC(=O)c1cc(C#N)c[nH]1 1412641934 BZWOERCUKLOSJL-KOLCDFICSA-N 317.349 -0.258 30 20 DBED C=C(Cl)CN1CCO[C@@H](CNC(=O)CS(C)(=O)=O)C1 1419557857 UPDJVVDUCFZOSY-JTQLQIEISA-N 310.803 -0.400 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(N(C)C(=O)CCn2cnnn2)CC1 1424819211 CWWSQWNGOBPKND-NSHDSACASA-N 319.369 -0.328 30 20 DBED C[C@@H](CN(C)C(=O)CNC(=O)N1CCCC1)NC(=O)[C@H](C)C#N 1427560039 OWRRSZLDWQJODH-NEPJUHHUSA-N 323.397 -0.085 30 20 DBED C[C@H](C#N)C(=O)N(C)CCN1CCN(C(=O)CC(C)(C)O)CC1 1456072908 QEUHMEICINBVNY-CYBMUJFWSA-N 324.425 -0.090 30 20 DBED C#CCNC(=O)CNC[C@H]1CCCN1C(=O)[C@H]1CCCCO1 1483927226 ZUXOHLVQWVCQHL-ZIAGYGMSSA-N 307.394 -0.115 30 20 DBED CCn1nc(C(=O)NC[C@H](C)CNC(=O)[C@H](C)C#N)ccc1=O 1500321365 AHZMPMLZLIMANO-GHMZBOCLSA-N 319.365 -0.095 30 20 DBED C[C@H](C#N)C(=O)N(C)C1CCN(C(=O)[C@@H]2CN(C)CCO2)CC1 1510152465 AXICJZUIKFUJJQ-OCCSQVGLSA-N 322.409 -0.074 30 20 DBED CCOCC(=O)N[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1O 1512873500 LMTALGBLXSWETQ-VXGBXAGGSA-N 306.322 -0.776 30 20 DBED CCc1cc(C(=O)NC[C@]2(O)CCN(C(=O)[C@H](C)C#N)C2)n[nH]1 1537310299 YDUAQSGKGRELFV-MEBBXXQBSA-N 319.365 -0.175 30 20 DBED C[C@@H]1CN2CCN1C[C@@H]2C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1548647064 ZUYXKTLXBYJJOQ-VHDGCEQUSA-N 303.410 -0.427 30 20 DBED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCNCC3)CC2)o1 1574182545 OUKKQRKHRYFNPI-UHFFFAOYSA-N 318.381 -0.592 30 20 DBED N#Cc1cncc(CNS(=O)(=O)N2CCC[C@H]2C(=O)O)c1 1574249550 XHQYYCAMSUMUIK-NSHDSACASA-N 310.335 -0.163 30 20 DBED CCN(CC)C(=O)CN(C)c1cnc(-c2nn[nH]n2)c(C#N)n1 1577877758 NGZKNFNXBZWYCM-UHFFFAOYSA-N 315.341 -0.167 30 20 DBED C#CC[C@H](CO)NC(=O)COc1ccc(-c2nn[nH]n2)cc1 1588332352 ZGBLOLLBJRZGIR-LLVKDONJSA-N 301.306 -0.254 30 20 DBED CC#CC[C@@H](CO)NC(=O)Cc1ccc(-c2nn[nH]n2)nc1 1588738449 OMHFGZZCKJEYHI-NSHDSACASA-N 300.322 -0.305 30 20 DBED C=CCOCC(=O)N1CCCN(C(=O)[C@@H]2C[C@@H]2C(=O)O)CC1 1588849614 CEMACDAZKKPLJI-NEPJUHHUSA-N 310.350 -0.029 30 20 DBED C=C[C@@H]1OCC[C@H]1NC(=O)N1C[C@@H](C(=O)O)[C@@H](C(=O)OC)C1 1588917797 ADEGPWKMYPAVJQ-YTWAJWBKSA-N 312.322 -0.155 30 20 DBED C[C@@H](CS(C)(=O)=O)Nc1cnc(C#N)c(-c2nn[nH]n2)n1 1589888209 IOAHJRHKURBYNP-LURJTMIESA-N 308.327 -0.627 30 20 DBED CC(C)[C@@](C)(C#N)NC(=O)CN1CCNC(=O)[C@H]1CC(=O)O 1590961716 WYAKWBYIXBQHAS-QMTHXVAHSA-N 310.354 -0.684 30 20 DBED CC[C@H](C)[C@@H](NC(=O)Cn1c(=O)[nH]cc(C#N)c1=O)C(=O)O 1594908319 FUQRZGKZJHFDGR-OIBJUYFYSA-N 308.294 -0.976 30 20 DBED CCN(CCC#N)C(=O)CN1C(=O)N[C@](C)(CCC(=O)O)C1=O 1596299746 ZPUHTKGOGQCXPR-CQSZACIVSA-N 324.337 -0.076 30 20 DBED COC(=O)C[C@H](NS(=O)(=O)CC1(C#N)CCC1)C(=O)O 1598838615 DDMYSLBHSYCECS-QMMMGPOBSA-N 304.324 -0.384 30 20 DBED N#CC1(CS(=O)(=O)NC(=O)Cn2cc(C(=O)O)cn2)CC1 1601057492 ANSSISLLLGOUDF-UHFFFAOYSA-N 312.307 -0.669 30 20 DBED N#Cc1ccc(S(=O)(=O)N2CC(n3cc(C(=O)O)nn3)C2)o1 1601110558 DPQSCNOMKMGLFP-UHFFFAOYSA-N 323.290 -0.313 30 20 DBED N#Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(N)=O)c(C(=O)O)c1 1601112100 NROGGUCYKFWNQC-JTQLQIEISA-N 323.330 -0.105 30 20 DBED C#CCN(CC(=O)O)S(=O)(=O)C[C@@H](OC)[C@H]1CCOC1 1602699718 ZRXKRYPTQWGRRD-WDEREUQCSA-N 305.352 -0.613 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NS(=O)(=O)[C@@H](C)C(=O)O 1602755416 SRWRPQXOHKXCCP-CBAPKCEASA-N 306.340 -0.624 30 20 DBED C=C(CCN(C)C)C(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)O 1602787528 JNLXMVVVTQERLO-LLVKDONJSA-N 318.395 -0.405 30 20 DBED COC(=O)[C@H]1C[C@@H](Nc2cnc(C#N)c(-c3nn[nH]n3)n2)C1 1604962678 SPVNHVVTTNHYQU-KNVOCYPGSA-N 300.282 -0.108 30 20 DBED N#CC1CCN(C(=O)C(=O)N2C[C@H](O)C[C@@H](C(=O)O)C2)CC1 1608179700 ZATYFPVHWUVPCO-GHMZBOCLSA-N 309.322 -0.957 30 20 DBED C#CCNC(=O)CNC[C@H]1CCCN1C(=O)c1cn(CC)nn1 1733350738 ZYFOIJJJVPQKPI-GFCCVEGCSA-N 318.381 -0.758 30 20 DBED C#CCNC(=O)CNCCN(C)C(=O)c1n[nH]c2c1CCC2 1753207567 BZXLXFYLRKGCIR-UHFFFAOYSA-N 303.366 -0.691 30 20 DBED N#CCNC(=O)CN1CC(NC(=O)[C@@H]2C[C@H]2c2ccncc2)C1 1753376818 CMXIDYHOUUVIQK-UONOGXRCSA-N 313.361 -0.375 30 20 DBED COCC#CCNC[C@@H](O)CNC(=O)c1ccc2nonc2c1 1753926189 SUSLUOOXOWJWPJ-GFCCVEGCSA-N 318.333 -0.447 30 20 DBED CC#CCNC[C@@H](O)CNC(=O)c1ccccc1-n1cnnn1 1753935829 MKDQEEFSXLGLAL-GFCCVEGCSA-N 314.349 -0.634 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H](CNCc1nnn(C)n1)C1CC1 1754438811 GQGTXRZPODTKMA-PWSUYJOCSA-N 306.370 -0.767 30 20 DBED N#CCNC(=O)CNC[C@H](NC(=O)C[C@@H]1COC(=O)C1)C1CC1 1754441190 RIMGDRVYTUZQGD-JQWIXIFHSA-N 322.365 -0.936 30 20 DBED CN(C(=O)[C@H]1CCCOCC1)C1CN(CC(=O)NCC#N)C1 1754574660 ZXIMUJKVZZZEQV-LBPRGKRZSA-N 308.382 -0.415 30 20 DBED C=CCOCCN1C[C@H]2CN(C(=O)CN3CCOCC3)C[C@H]2C1 1754841584 XJWQJOXTRPVADH-IYBDPMFKSA-N 323.437 -0.089 30 20 DBED C#CCN1CCC[C@@](CO)(NC(=O)[C@H]2CN(CC)CCO2)C1 1754861142 KFWDBDDZOXDDPJ-GDBMZVCRSA-N 309.410 -0.717 30 20 DBED C=CCNCC1(O)CCN(C(=O)[C@H](C)S(C)(=O)=O)CC1 1755151034 OTZUGOOGTIJXAK-NSHDSACASA-N 304.412 -0.451 30 20 DBED C#CCN(C)C[C@@H]1CCCN1C(=O)CCCN1C(=O)CNC1=O 1755200193 HUYLOVZKPPPJHJ-ZDUSSCGKSA-N 320.393 -0.126 30 20 DBED CCc1oncc1C(=O)N[C@@H](C)C1CN(CC(=O)NCC#N)C1 1755387429 IZXRJFUZMDNRIV-JTQLQIEISA-N 319.365 -0.073 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(CNC(=O)c3[nH]cnc3C)[C@@H]2C1 1755435148 AUULXXKZSPTCCQ-STQMWFEESA-N 317.393 -0.072 30 20 DBED C=CCN[C@H](CO)CNC(=O)c1ccc(CNC(N)=O)cc1 1755645666 FEIHBCFUZOXZBY-ZDUSSCGKSA-N 306.366 -0.279 30 20 DBED C=CCCC(=O)N[C@H](C)CN(C)C(=O)C1CC(=O)NC(=O)C1 1756471963 FJGPQWCUMKYDRI-SNVBAGLBSA-N 309.366 -0.032 30 20 DBED CC[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC#N)C2 1792861962 BLBQXTRKCMSOSV-OPDFLTKYSA-N 309.366 -0.349 30 20 DBED N#CCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CCC(=O)NC1 1847318205 JMHSDNICLFPSMA-SRVKXCTJSA-N 304.350 -0.372 30 20 DBED COCCNC(=O)CNC(=O)C(=O)Nc1cc(C#N)ccc1C 69122434 VHHMSUUJPDWSGO-UHFFFAOYSA-N 318.333 -0.316 30 20 DBED C[C@@H]1CN(c2nccnc2C#N)CCN1CCNS(C)(=O)=O 155617863 UICLHWRPKOMNMQ-LLVKDONJSA-N 324.410 -0.592 30 20 DBED C=C(C)CN(C)S(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C 183292230 YNRSBHQSWBJXRU-UHFFFAOYSA-N 324.362 -0.182 30 20 DBED Cc1nc2n(n1)C[C@H](N/C(=N/C1CC1)NCC(=O)N(C)C)CC2 262244895 APYMEKGXEVTFRZ-GFCCVEGCSA-N 319.413 -0.313 30 20 DBED COC[C@H](Nc1c(C#N)c(=O)n(C)c(=O)n1C)[C@H]1CCCO1 278991116 DTSHDGZRBZUHKD-WDEREUQCSA-N 308.338 -0.438 30 20 DBED Cc1cccc(=O)n1C[C@](C)(O)C(=O)N1CCN(CC#N)CC1 280293450 GTMFAPJDMHAYGS-INIZCTEOSA-N 318.377 -0.425 30 20 DBED Cc1cc(C(=O)NCC(=O)NCC#CCO)ccc1[N+](=O)[O-] 282999162 VJNYHVFUZVVIND-UHFFFAOYSA-N 305.290 -0.255 30 20 DBED COC(=O)C(C)(C)CCNc1c(C#N)c(=O)n(C)c(=O)n1C 286660005 VESJHUGHTHUJIR-UHFFFAOYSA-N 308.338 -0.043 30 20 DBED C[C@H](C(=O)NC(C)(C)C)N(C)c1c(C#N)c(=O)n(C)c(=O)n1C 302519882 YRSSWQVYTLKZCB-SECBINFHSA-N 321.381 -0.305 30 20 DBED Cn1cc(N2CC[C@H](N/C(O)=N/C[C@@H]3COCCO3)C2=O)cn1 329505489 HHEJJPKLWHFXNH-NEPJUHHUSA-N 323.353 -0.556 30 20 DBED COCCN1CC[C@@H](/N=C(/O)N[C@@H]2CS(=O)(=O)C[C@@H]2C)C1 329656815 MQPXQJMPATVFQK-QJPTWQEYSA-N 319.427 -0.356 30 20 DBED O=S1(=O)CCCC[C@@H]1CN/C(O)=N/C[C@H]1COCCO1 329668475 RYZCXYIVXBFCFF-WDEREUQCSA-N 306.384 -0.127 30 20 DBED CC(C)N1CC[C@H](/N=C(/O)N2C[C@@H]3OCCN(C)[C@@H]3C2)C1=O 329980034 KOFFTUXTBQAFKW-XQQFMLRXSA-N 310.398 -0.076 30 20 DBED CCOC(=O)C1CCN(/C(O)=N/CCS(=O)(=O)NC)CC1 331268138 RWUNVNWZUFVAQM-UHFFFAOYSA-N 321.399 -0.275 30 20 DBED C[C@H]1C[C@@H](N2CCOCC2)CN1C(=O)Cn1cnc(C#N)n1 332209304 UIOAZNDKLXDMEN-NWDGAFQWSA-N 304.354 -0.529 30 20 DBED CCC(CC)[C@@H](O)CNS(=O)(=O)N1CCO[C@H](C#N)C1 337090659 JZJZXJSUYKAWLL-NEPJUHHUSA-N 305.400 -0.158 30 20 DBED COCCN([C@@H](C)C(N)=O)S(=O)(=O)N(C)C[C@@H](C)C#N 337103077 XSZANUUCUZGNOV-UWVGGRQHSA-N 306.388 -0.855 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1C[C@H](C)O[C@@H](C(=O)OC)C1 338351085 RRUIPYLIHHAMKP-GARJFASQSA-N 313.354 -0.351 30 20 DBED C=CC[C@H](CO)NC(=O)N[C@@H]1CCN(CCC(=O)OC)C1=O 346341930 VCOJGHVQJAAGAP-GHMZBOCLSA-N 313.354 -0.613 30 20 DBED C=CCNC(=O)CNC(=O)[C@H](NS(C)(=O)=O)[C@@H](C)CC 347888117 BVWKAAKNAZXEPD-GXSJLCMTSA-N 305.400 -0.631 30 20 DBED N#CCC(=O)N1CCN(C(=O)c2cnc(O)c([N+](=O)[O-])c2)CC1 348631749 HTLFTYKYCVVLAV-UHFFFAOYSA-N 319.277 -0.107 30 20 DBED N#Cc1ccccc1OCC(=O)N1CC[C@@H](S(N)(=O)=O)C1 351836545 XVTHOLGTEIWREL-LLVKDONJSA-N 309.347 -0.174 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CCO[C@@H](C)C2)C1=O 354235950 MPUUAXNVFWKGAE-AVGNSLFASA-N 323.393 -0.085 30 20 DBED C[C@@H](CC#N)NC(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 360039419 QNYRTWXSGFVGRT-NSHDSACASA-N 320.353 0.166 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCCN(C(=O)[C@H]2CCCO2)CC1 360571524 PIANZMCXMJPGFD-ZIAGYGMSSA-N 307.394 -0.162 30 20 DBED Cn1c(N2CCOC[C@@H]2[C@@H]2CCCO2)c(C#N)c(=O)n(C)c1=O 376259499 CYXDLVAJJDKPBA-NEPJUHHUSA-N 320.349 -0.660 30 20 DBED CCC(CC)(CNC(=O)C(=O)N1CCO[C@H](C#N)C1)C(=O)O 424488943 MDTAUVFVWROTIM-SNVBAGLBSA-N 311.338 -0.255 30 20 DBED C=CCCn1cc(C(=O)N[C@@H](CC(=O)OC)C(=O)OC)nn1 424560887 LTEXQHABZKRNGF-VIFPVBQESA-N 310.310 -0.311 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)CSCC#N)CC1 490648955 DFPRUMKJHTULMQ-UHFFFAOYSA-N 308.407 -0.473 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2c(C)cnn2C)CC1 491689754 KEPTUJFTNNKIAL-UHFFFAOYSA-N 303.366 -0.764 30 20 DBED CNC(=O)[C@H]1CN(C[C@@H](O)COc2ccccc2C#N)CCO1 528443141 ORSPPEDNAMGXCE-UKRRQHHQSA-N 319.361 -0.255 30 20 DBED CS(=O)(=O)N1CCC[C@H](C(=O)[C@H](C#N)C(=O)NC2CC2)C1 528917981 IFQVIPQVXCFLSB-ONGXEEELSA-N 313.379 -0.355 30 20 DBED COC(=O)c1cccc(CN2CCN(C(=O)CO)CC2)c1C#N 535765030 LJTIORPFCHXTDV-UHFFFAOYSA-N 317.345 -0.019 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN(C)C(=O)C1 570695365 SPNXOYISSWJFKS-YPMHNXCESA-N 309.366 -0.616 30 20 DBED CC(C)[C@@H](C#N)N1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)CC1 593443048 CHMFOCKCIQSDEB-VXGBXAGGSA-N 314.411 -0.630 30 20 DBED CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)N1CC[C@@](F)(C#N)C1 596747176 CJJCVPNAJWVBHV-FXPVBKGRSA-N 305.331 -0.554 30 20 DBED CCN1CCN(CC(=O)N(CCC#N)CCOC)C(=O)C1=O 609136312 MQSJJROOGAZFHC-UHFFFAOYSA-N 310.354 -0.934 30 20 DBED Cn1cc(C=NNC(=S)NCC2CCC2)c(=O)n(C)c1=O 727652895 UTSJMJMEWABBCA-UHFFFAOYSA-N 309.395 -0.318 30 20 DBED CN(CCC#N)S(=O)(=O)NCCc1nnc2ccccn12 751256421 WHICYCRDSJTJCN-UHFFFAOYSA-N 308.367 -0.048 30 20 DBED C#CCOCCC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 755422024 LXSWNOUVWGUUCN-UHFFFAOYSA-N 323.393 -0.971 30 20 DBED Cn1cc([C@@H](O)CNS(=O)(=O)c2cccnc2C#N)cn1 758127872 YPZALIMHMNEMBA-NSHDSACASA-N 307.335 -0.301 30 20 DBED CS(=O)(=O)N1CCC[C@H]1C(=O)NS(=O)(=O)CCCC#N 776116847 ADFCMODSUNNCEJ-VIFPVBQESA-N 323.396 -0.840 30 20 DBED C=CCC[C@@H](NS(=O)(=O)N(C)CCC(=O)OC)C(=O)O 776586926 GHDRNKPJRNRJPH-SECBINFHSA-N 308.356 -0.265 30 20 DBED C#CCOCCNC(=O)c1cc(S(=O)(=O)N(C)C)cn1C 784608289 YESHXZMHKKQQIN-UHFFFAOYSA-N 313.379 -0.345 30 20 DBED N#Cc1ccc(NCC(=O)NC[C@H]2CC(C(N)=O)=NO2)cc1 793906525 ZDDJFEOJKYENAN-LLVKDONJSA-N 301.306 -0.283 30 20 DBED CN1C(=O)CN(NS(=O)(=O)c2ccc(C#N)s2)C1=O 797831360 WUSKRWYQGGMIMB-UHFFFAOYSA-N 300.321 -0.293 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)CCn2cc[nH]c(=O)c2=O)C1=O 799025990 CFJHHFVXDGAXLP-LLVKDONJSA-N 320.349 -0.828 30 20 DBED CCN(CCC#N)S(=O)(=O)N(CCS(C)(=O)=O)C1CC1 800091910 XYYWSSBQWPBBFL-UHFFFAOYSA-N 323.440 -0.024 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCN(c2ncccc2C(N)=O)CC1 822868102 UIATUHUQCJGQGA-LBPRGKRZSA-N 316.361 -0.133 30 20 DBED C=C(CN(C)C)C(=O)N1CCC(n2cnc(C(N)=O)c2N)CC1 848039511 NFNYAPGJLIEQLC-UHFFFAOYSA-N 320.397 -0.155 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N(C)CCn1cccn1 850710220 VLULVDSPPJVTOI-UHFFFAOYSA-N 306.366 -0.160 30 20 DBED C#CC[C@@H](CO)NC(=O)c1cccc([C@@]2(C)NC(=O)NC2=O)c1 854544522 QRENHHNQFSJPMA-BLLLJJGKSA-N 315.329 -0.145 30 20 DBED C#CCCN(CCOC)C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 856388133 LGELCDXWWNWKAI-CQSZACIVSA-N 309.410 -0.105 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N[C@H](C)Cn1cccn1 875060556 PBAIKTJIFZUJLO-OLZOCXBDSA-N 306.366 -0.068 30 20 DBED C=CCN1CCC(NC(=O)C(=O)N2C[C@H]3CC[C@@H](O)[C@H]3C2)CC1 897675206 USLUDSZXDHPRER-VHDGCEQUSA-N 321.421 -0.018 30 20 DBED C#CCN1CCN(c2nnc(-c3ncon3)n2CCOC)CC1 909205114 HBTSTYJGTGZOBU-UHFFFAOYSA-N 317.353 -0.270 30 20 DBED C#CC1(O)CN(Cc2c(C)nn(CCS(C)(=O)=O)c2C)C1 934449209 STTCZZNSWZOEJM-UHFFFAOYSA-N 311.407 -0.276 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)c2ccc(=O)n(C)c2)C1 938242157 IYJIZEKNQRMNRF-JQWIXIFHSA-N 302.334 -0.124 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)c2cncnc2O)C1 944640797 LJAYRBYFGHRSPO-UWVGGRQHSA-N 319.321 -0.701 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@]2(CCN(C(=O)Cn3cnnn3)C2)C1 953086477 LWURDSQVZBOCBH-FZMZJTMJSA-N 317.353 -0.716 30 20 DBED CCc1cnc(O)c(C(=O)NC[C@@H]2CN(CC#N)C[C@H]2O)c1 958549290 WFUGDSYFHOFDOK-DGCLKSJQSA-N 304.350 -0.104 30 20 DBED CC#CCN1C[C@H]2C(NC(=O)[C@@H]3Cc4cncn4C(=O)N3)[C@@H]2C1 961315748 USJUMJVRGRZERK-UPJWGTAASA-N 313.361 -0.565 30 20 DBED C=CCN1C[C@H]2[C@H](NC(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)[C@H]2C1 961745101 OGGNMRNSWTVSPH-BJJPWKGXSA-N 307.394 -0.145 30 20 DBED C=CCCn1cc(C(=O)N[C@H]2[C@@H]3CN(CCCO)C[C@@H]32)nn1 962003856 RDKAFWCGTXNCDL-IMRBUKKESA-N 305.382 -0.103 30 20 DBED C#CCN1C[C@@H]2C(NC(=O)c3ccc(-n4ccnc4)nn3)[C@H]2C1 962024061 ZMTDEUCNHHKWLF-RYUDHWBXSA-N 308.345 -0.045 30 20 DBED N#Cc1cc(C(=O)N2CCC[C@@H]3[C@H]2CCN3C(=O)C(N)=O)c[nH]1 962959466 NJPGSUGTGZPTEL-VXGBXAGGSA-N 315.333 -0.423 30 20 DBED C=C[C@@](C)(CC)C(=O)N1C[C@H](O)[C@H](NC(=O)c2cnn[nH]2)C1 968708711 KVVHDNSTDJQFTE-SUNKGSAMSA-N 307.354 -0.292 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@@H]3CN(C(=O)CC(N)=O)[C@@H]3C2)c1 971610073 NCNZUHIYVXWBOI-ZYHUDNBSSA-N 315.333 -0.565 30 20 DBED N#CCN1C[C@H]2CC[C@H]1CN2C(=O)CCn1cnccc1=O 971968506 XMUHKYNDLYPTSP-QWHCGFSZSA-N 301.350 -0.168 30 20 DBED O=C(C#CC1CC1)N1CC[C@@H]2CN(C(=O)Cn3ncnn3)[C@@H]2C1 972304391 OIWCCWFKPXIJAE-CHWSQXEVSA-N 314.349 -0.854 30 20 DBED C=CCN1CCO[C@]2(CCN(C(=O)Cn3c(O)nnc3O)C2)C1 972655690 ODIYLLFUERYYNW-CQSZACIVSA-N 323.353 -0.821 30 20 DBED N#CCN1C[C@@H]2C(CNC(=O)c3cn([C@@H]4CCOC4)nn3)[C@H]2C1 978976039 XMRCWOPVYKGGQX-RAIGVLPGSA-N 316.365 -0.329 30 20 DBED C#CCCN1C[C@H]2[C@H](CNC(=O)[C@H]3COCCN3C(C)=O)[C@H]2C1 979087704 GRTVDZKZKFYCNZ-LVQVYYBASA-N 319.405 -0.449 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)c2ccc(C(N)=O)[nH]2)[C@H]1C 990007993 UTIPBKYFVDTBDX-AEJSXWLSSA-N 317.349 -0.008 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC(NC(=O)[C@H]3CCNC(=O)C3)C2)c1 990800497 ZQHLMRGYWQUYTK-JTQLQIEISA-N 315.333 -0.647 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)Cc2nnc(C)o2)C1 991168130 BDRHYSSRCJXYDR-NEPJUHHUSA-N 320.349 -0.161 30 20 DBED CCCn1nc(C(=O)NC2CN(C(=O)[C@@H](C)C#N)C2)ccc1=O 991377878 VPFGVVDAYUTNQM-JTQLQIEISA-N 317.349 -0.246 30 20 DBED C=C[C@](C)(CC)C(=O)N1CC(NC(=O)C2CS(=O)(=O)C2)C1 991914872 PIBPCCJRZONFSG-CQSZACIVSA-N 314.407 -0.040 30 20 DBED C#CCN1CCC[C@H](NC(=O)c2cnc(O)n(C)c2=O)[C@H]1C 993686698 XJGODYOVSXWTOD-PWSUYJOCSA-N 304.350 -0.298 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)[C@]2(C)CNC(=O)C2)C1 996281456 JQHRTDKKWDIDJX-WQGACYEGSA-N 321.377 -0.569 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)CCc3nc[nH]n3)C2)cn1 997089473 DXLGPLQSSJNBJR-UHFFFAOYSA-N 324.344 -0.246 30 20 DBED C[C@H](NC(=O)[C@H]1CC[C@@H](C(N)=O)O1)C1CCN(CC#N)CC1 997750301 OJAAMDGXILGBGO-WCFLWFBJSA-N 308.382 -0.240 30 20 DBED C=C1CCC(C(=O)NC2CN(C(=O)Cn3ncnn3)C2)CC1 999092033 BHSRLLREBHQVDE-UHFFFAOYSA-N 304.354 -0.254 30 20 DBED C#Cc1ccc(C(=O)N2CC(NC(=O)[C@H]3C[C@H]3C(N)=O)C2)nc1 999917749 ONGLPRDOUAVLLO-NEPJUHHUSA-N 312.329 -0.875 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C(N)=O)c1 1001882808 MPWLKRVWJDNNQH-KKZNHRDASA-N 301.306 -0.767 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2CN(C(=O)C(N)=O)CC[C@@H]2C)cn1 1005097834 SEVVFCJVSUWFCK-GWCFXTLKSA-N 314.345 -0.485 30 20 DBED C#CCN1CCC(N(C)C(=O)C2CC3(C2)NC(=O)NC3=O)CC1 1006115429 DWWILHJOFNINDH-UHFFFAOYSA-N 318.377 -0.469 30 20 DBED C[C@H]1CCN(C(=O)C(=O)N2CCN(C(=O)[C@H](C)C#N)CC2)C1 1012331696 XPZHFTGWLMDVKF-NWDGAFQWSA-N 306.366 -0.315 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2C(NC(=O)c3ccc(C(N)=O)o3)[C@H]2C1 1013485914 XBKGCIFNKWKXCG-VGMNWLOBSA-N 316.317 -0.275 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCN([C@H]3CCCNC3=O)C2)nn1 1015812571 XULKXGNIXPWCFU-AAEUAGOBSA-N 318.381 -0.453 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)C1 1016174638 MZRDRVCYUODIIU-LLVKDONJSA-N 306.366 -0.469 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1CC12CCN(CC(N)=O)CC2 1016671126 UNJFFOZZQGNOAA-KBPBESRZSA-N 318.421 -0.460 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccnc(O)c2)C1 1023375365 LVCMTOBSOKCWMN-FBIMIBRVSA-N 304.306 -0.752 30 20 DBED C=CCN[C@@H]1CC[C@H]2CN(C(=O)Cn3cnc(C(N)=O)n3)C[C@@H]21 1026268494 BJRXZSCISDRSQG-SDDRHHMPSA-N 318.381 -0.610 30 20 DBED CC#CCN1CCC[C@@H]1CNC(=O)c1nccnc1C(N)=O 1028303195 AVCFZPAEUVRLOD-LLVKDONJSA-N 301.350 -0.207 30 20 DBED C=CCCn1cc(C(=O)NC[C@H]2CCN([C@@H](C)C(N)=O)C2)nn1 1028858127 NAZKUOGUYCMIDX-NWDGAFQWSA-N 320.397 -0.220 30 20 DBED C#CCN1[C@H]2CC[C@H]1CN(C(=O)CCn1cc[nH]c(=O)c1=O)C2 1029517501 CNKCMVTWWCNALF-STQMWFEESA-N 316.361 -0.765 30 20 DBED C=CCn1cc(C(=O)NC2CN(Cc3ncnn3CC)C2)nn1 1031069860 CMOPOWFYOMDTJI-UHFFFAOYSA-N 316.369 -0.310 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCC1CN(CCS(C)(=O)=O)C1 1031987484 PPQYYQWJCIBQFB-OLZOCXBDSA-N 316.423 -0.330 30 20 DBED C=CCN1CCO[C@@H](CNC(=O)c2ccn3nnnc3c2)C1 1035473891 WQFKDGDHQZOWBY-LBPRGKRZSA-N 302.338 -0.259 30 20 DBED C=CCN1CC2(CCN(C(=O)[C@@H]3CCS(=O)(=O)N3)CC2)C1 1035853812 CIWYGYPDFUBAFL-LBPRGKRZSA-N 313.423 -0.212 30 20 DBED N#Cc1ccc(CN2C[C@H]3C[C@H]2[C@H]3NC(=O)Cn2ncnn2)cc1 1037417944 ARCDRPCBGFZPBP-YCPHGPKFSA-N 323.360 -0.066 30 20 DBED CC#CCN1CC[C@]2(CCN(C(=O)[C@@H]3CN(C)C(=O)N3)C2)C1 1041544493 OBGFYEUGOLELHH-BBRMVZONSA-N 304.394 -0.042 30 20 DBED C#CCCN1CC[C@H]2CCN(C(=O)Cn3cnnc3O)C[C@@H]21 1042022901 ZRORXIPTKRJVMF-STQMWFEESA-N 303.366 -0.070 30 20 DBED C=CCN1CC[C@@H](N2CC(N(C)C(=O)c3ncc[nH]3)C2)C1=O 1042698489 WOWUTSLXZMUQSO-GFCCVEGCSA-N 303.366 -0.047 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(O)CN(C(=O)c2nonc2C)C1 1042814939 SAYCVQJTCYKQIS-ZDUSSCGKSA-N 324.337 -0.992 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)c2cnnn2CC)C1 1042905326 UMMTYSQYRWIKFM-UHFFFAOYSA-N 307.354 -0.433 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)[C@@H](C)OCC#C)C1 1043040648 VPJFLXJRJNEHFR-CYBMUJFWSA-N 306.362 -0.482 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)C(C)(C)F)C1 1043042744 VVUDENIWLFPWTI-JTQLQIEISA-N 300.330 -0.538 30 20 DBED C#Cc1cncc(C(=O)N(C)C2CN(CCS(C)(=O)=O)C2)c1 1043821517 LQWPNJSIJMXKHD-UHFFFAOYSA-N 321.402 -0.136 30 20 DBED Cc1nocc1C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1044473814 VKWUBEXCASVHMT-NEPJUHHUSA-N 314.305 -0.376 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)[C@@]23CCC[C@@H]2C3)C1 1044602994 MHZWLGDAYMKSED-PBFPGSCMSA-N 320.389 -0.096 30 20 DBED C=C(C)C[C@H](C)C(=O)NCC1(O)CN(C(=O)CNC(C)=O)C1 1045055522 UEHMMGXGCRMRAW-NSHDSACASA-N 311.382 -0.586 30 20 DBED C#CCN1CC[C@H](N2CCN(C(=O)C3=COCCO3)CC2)C1 1045999273 HDAMASVXMTYUMY-AWEZNQCLSA-N 305.378 -0.274 30 20 DBED N#Cc1nc(=N[C@H]2C[C@H](CNC(=O)C3=COCCO3)C2)cc[nH]1 1046705696 OPVRZFVYNRWVGP-XYPYZODXSA-N 315.333 -0.035 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cc(OC)ncn2)C1 1047381460 NERXLQRQQJACSD-STQMWFEESA-N 304.350 -0.374 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3nnn(C)c3c2)C1 1047610108 OXYBUQVNNDTTAN-GJZGRUSLSA-N 313.361 -0.281 30 20 DBED C=CCO[C@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C(F)F)C1 1047978326 VWQRCUAVOJETLL-UTLUCORTSA-N 306.309 -0.127 30 20 DBED C=CCO[C@H](C)C(=O)N(C)[C@H]1CN(C(=O)c2cn[nH]c2)C[C@@H]1O 1049010581 CSZZWHQDRJPFRG-WXHSDQCUSA-N 322.365 -0.356 30 20 DBED C=CCCN1CCOC[C@@H]1CNC(=O)c1cnc(O)n(C)c1=O 1051063114 RQQIQRDZSTVECP-NSHDSACASA-N 322.365 -0.507 30 20 DBED C=CCN1CCOC[C@H]1CNC(=O)c1ccnc2c1nnn2C 1051083771 KDADQSDWFRORGC-LLVKDONJSA-N 316.365 -0.020 30 20 DBED N#CCN1CCOC[C@@H]1CNC(=O)[C@H]1CCc2n[nH]cc2C1 1051205465 YBKIQELCCXSNAF-AAEUAGOBSA-N 303.366 -0.145 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)c1cccc(C(N)=O)n1 1051263555 FHIZJVPWIUTVFG-LLVKDONJSA-N 302.334 -0.756 30 20 DBED C#CCN1CC2(C1)CN(C(=O)c1ccc(C(N)=O)o1)CCO2 1053333283 CUHTUACUTCOXPI-UHFFFAOYSA-N 303.318 -0.462 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCC2(CN(CC#N)C2)O1 1053610267 KVTCYFKYBLBENN-GJZGRUSLSA-N 316.405 -0.043 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)c3cccc(=O)n3C)CO2)C1 1053921848 PWEKMFLMCLSTEA-GFCCVEGCSA-N 301.346 -0.408 30 20 DBED Cn1c(C(=O)N2CCN(c3ccc(C#N)nn3)CC2)cnc1O 1055974082 VHWPDYCHXGGNRB-UHFFFAOYSA-N 313.321 -0.250 30 20 DBED N#Cc1cccnc1N1C[C@H]2[C@H](NC(=O)[C@H]3COCCO3)[C@H]2C1 1056135414 PGDJWQMTABZDGM-RQJABVFESA-N 314.345 -0.081 30 20 DBED N#Cc1ccc(N2C[C@@H]3C(NC(=O)[C@H]4CCC(=O)N4)[C@H]3C2)cn1 1056148238 YRHOWLVKAJOIAG-RWMBFGLXSA-N 311.345 -0.217 30 20 DBED Cc1nc(N2C[C@H]3C(NC(=O)c4nnn(C)n4)[C@@H]3C2)ccc1C#N 1056372080 HGTCEWWQMKDSMB-GHMZBOCLSA-N 324.348 -0.350 30 20 DBED N#Cc1cncc(N[C@@H]2CCN(C(=O)[C@H]3CCNC3=O)C2)n1 1056744915 LTFWSJSVJRSTJX-KOLCDFICSA-N 300.322 -0.503 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)Cc1[nH]cnc1C 1057193651 NIIPHYDHNYNQIC-UHFFFAOYSA-N 324.381 -0.600 30 20 DBED CCO[C@H](C)C(=O)NCCN(CCO)C(=O)c1c[nH]c(C#N)c1 1057392023 WZIPPNZMAZJJER-LLVKDONJSA-N 322.365 -0.138 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)Cn1ccnc1 1057445482 XAAQTFXXUYYKBM-UHFFFAOYSA-N 306.366 -0.376 30 20 DBED C=C[C@](C)(O)CC(=O)N(CCO)CCNC(=O)CCN(C)C 1057451417 KTCAKBJEXKBYSX-HNNXBMFYSA-N 315.414 -0.798 30 20 DBED O=C(NCCN(CCO)C(=O)C#CC1CC1)C1CCOCC1 1057531012 BTSRYPSUNHXUAW-UHFFFAOYSA-N 308.378 -0.237 30 20 DBED C#CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)c1cccnc1 1057583377 OMHHKQPKJJZYJW-ZDUSSCGKSA-N 319.361 -0.329 30 20 DBED Cn1nnc(C(=O)N[C@@H]2CCCN(c3ccnc(C#N)n3)C2)n1 1058218872 FSDUMXHRANOXLR-SECBINFHSA-N 313.325 -0.729 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)[C@H](CCC)OC 1058284196 FSQZOCYBEPRLPY-ZDUSSCGKSA-N 316.398 -0.059 30 20 DBED Cc1cc(C#N)nc(N2CC[C@@H](NC(=O)Cn3cncn3)C2)n1 1058362965 OPZIQYQZOGGEQR-LLVKDONJSA-N 312.337 -0.357 30 20 DBED C=C[C@@H](CC)CC(=O)N(CCO)CCNC(=O)Cn1ncnn1 1058468741 PWSNTAXYKQLLAS-LBPRGKRZSA-N 324.385 -0.788 30 20 DBED N#Cc1nccc(N2CC[C@@H](NC(=O)[C@@H]3CCC(=O)NC3)C2)n1 1058594051 HFHZKLDBIMNRHE-GHMZBOCLSA-N 314.349 -0.431 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)C[C@H](C)COC 1058682532 FZFNBAKCHIAKBV-ZDUSSCGKSA-N 316.398 -0.201 30 20 DBED N#Cc1cncc(N2C[C@@H]3CC[C@H](C2)N3C(=O)c2nc[nH]n2)n1 1058769545 WXNQOSLTCXLHCN-PHIMTYICSA-N 310.321 -0.040 30 20 DBED CN1C[C@@H](C(=O)N[C@H]2C[C@@H](Nc3ccc(C#N)nn3)C2)NC1=O 1059782011 UYERUEKNZWQZTR-AXFHLTTASA-N 315.337 -0.569 30 20 DBED N#Cc1cnc(N[C@H]2C[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)cn1 1059823518 RHIVEQYSUXBOCR-MKHNBGRSSA-N 300.322 -0.471 30 20 DBED N#Cc1nc(=NC[C@H]2CCN(C(=O)Cc3nc[nH]n3)C2)cc[nH]1 1060918210 IZQUOXRSEWDTQQ-SNVBAGLBSA-N 312.337 -0.609 30 20 DBED N#Cc1cccnc1NC[C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 1060972420 KCEBIAPVSICAKV-CMPLNLGQSA-N 314.349 -0.105 30 20 DBED Cn1nncc1C(=O)NC[C@@H]1CCCN1c1ccc(C#N)nn1 1061353700 OJFPJMDEHGHRBQ-NSHDSACASA-N 312.337 -0.124 30 20 DBED N#Cc1ccc(N2CCC[C@H]2CNC(=O)[C@@H]2CNC(=O)N2)nc1 1061441513 XHRSUMUZGFRQQJ-RYUDHWBXSA-N 314.349 -0.280 30 20 DBED C#CCOCCC(=O)NC[C@H]1COCCN1C(=O)c1cn[nH]c1 1061581000 JHOSBVWBATZCDZ-ZDUSSCGKSA-N 320.349 -0.593 30 20 DBED C=CCCCC(=O)NC[C@H]1COCCN1C(=O)Cn1nccn1 1061831250 RGKLTVYNEZOPIN-ZDUSSCGKSA-N 321.381 -0.022 30 20 DBED Cc1ccnc(C(=O)N2CCOC[C@H]2CNC(=O)[C@H](C)C#N)n1 1061847144 JJPZWNIHSDYXBR-ZYHUDNBSSA-N 317.349 -0.098 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)Cc1cnoc1 1061852350 YLXWOLLAICQOKY-CMPLNLGQSA-N 306.322 -0.280 30 20 DBED CCC(=O)NCC(=O)NC[C@H]1CN(C(=O)C#CC(C)C)CCO1 1065131059 SXBXORPFMPXSMO-ZDUSSCGKSA-N 323.393 -0.484 30 20 DBED COCC1(C(=O)N2CCO[C@@H](CNC(=O)[C@@H](C)C#N)C2)CC1 1065340134 FVINLPGGOMMLHQ-RYUDHWBXSA-N 309.366 -0.084 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)CCCCC(N)=O)C1 1065557837 VXJGECIKMOLMPA-RYUDHWBXSA-N 324.381 -0.465 30 20 DBED C=CCCOCC(=O)N[C@@H]1CCCN(C(=O)CC(N)=O)CC1 1066266312 WVBFIRWPOYRHPM-GFCCVEGCSA-N 311.382 -0.048 30 20 DBED C#CCNC(=O)CC(=O)NC1(CNC(=O)CC)CCOCC1 1070082807 LZBFQNSXFOSGPW-UHFFFAOYSA-N 309.366 -0.683 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)c2cnn(C)n2)CCOCC1 1070232638 NONKAAIIZGYLJM-SNVBAGLBSA-N 320.353 -0.630 30 20 DBED N#CCN1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CCC(=O)N2)C1 1070432994 XIBQWPHUMJVENG-JQWIXIFHSA-N 316.365 -0.383 30 20 DBED C#CCOCCC(=O)N1C[C@H](C)[C@@H](NC(=O)Cc2nc[nH]n2)C1 1072100501 HXABAWPVNBYCPV-RYUDHWBXSA-N 319.365 -0.650 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)[C@H]2CCC(=O)N(C)C2)C1 1073901696 BVYNIWWLNGIXKP-KBPBESRZSA-N 307.394 -0.305 30 20 DBED C#CCOCCC(=O)N1CCC(O)(CNC(=O)[C@H](C)C#N)CC1 1074586849 HYXIEHJZFVWHTK-CYBMUJFWSA-N 321.377 -0.344 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H](C)CCNC(=O)[C@H](C)NC(N)=O 1076269539 QAFAVQBUFPZDIO-DCAQKATOSA-N 314.386 -0.355 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)C1 1077089199 WWGQNQHNHUJMPB-YNEHKIRRSA-N 309.410 -0.019 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)c2ccc3nn[nH]c3n2)C1 1077095966 RLBFAFWIGOVQIT-VXGBXAGGSA-N 302.338 -0.296 30 20 DBED C=CCN[C@@H]1C[C@@H](NC(=O)CN2C(=O)CNC2=O)C12CCC2 1078803237 LQHCCJCSZWSACS-GHMZBOCLSA-N 306.366 -0.259 30 20 DBED C=CCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)Cn2cnnn2)C1 1079979783 OEPKUVNVSFUONB-NSHDSACASA-N 322.369 -0.677 30 20 DBED CCN(C(=O)c1cnn[nH]1)C1CN(C(=O)CSCC#N)C1 1080067087 MFJUZLHBWGJJMC-UHFFFAOYSA-N 308.367 -0.266 30 20 DBED C#CCNC(=O)CC(=O)NC1(CO)CCN(C(=O)C(C)C)CC1 1080824222 CLRHWIIIRVVTCU-UHFFFAOYSA-N 323.393 -0.748 30 20 DBED Cc1nc[nH]c1C(=O)N1C[C@@H](O)[C@@H](CNC(=O)C#CC(C)C)C1 1081463237 KQOGEFBENNGYSN-QWHCGFSZSA-N 318.377 -0.073 30 20 DBED COc1c[nH]c(C(=O)N[C@@H]2CN(CC#N)C[C@H]2OC)cc1=O 1081947057 HWIWGIMPIGMOFM-ZWNOBZJWSA-N 306.322 -0.664 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)C(=O)N2CCC[C@@H](C)C2)C1 1083838503 ZFDOUSNBZAOYSD-MCIONIFRSA-N 307.394 -0.571 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(C[C@@H]3CCOC3)C[C@@H]2O)cn1 1083968832 GUYAGUQQPNMVGD-MAZHCROVSA-N 315.373 -0.126 30 20 DBED CN(C[C@@H]1CCN1CC#N)C(=O)[C@@H]1CCN(C)S1(=O)=O 1085868552 STYFJXXGZMBVCQ-QWRGUYRKSA-N 300.384 -0.923 30 20 DBED C#CCN[C@H]1C[C@H](CNC(=O)c2coc(S(N)(=O)=O)c2)C1 1086405076 YVTNUUNXXIKCAJ-HOMQSWHASA-N 311.363 -0.342 30 20 DBED C=C(Cl)CN1CC[C@H](NC(=O)Cn2cnnc2O)[C@@H](O)C1 1090196007 ABMUXNNUCKBDBS-UWVGGRQHSA-N 315.761 -0.712 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)c2cn(CCOC)nn2)[C@@H](O)C1 1090260151 ZUKNKQLNRRWZDF-OCCSQVGLSA-N 323.397 -0.334 30 20 DBED C=CCCN1CC[C@@H](NC(=O)c2cccn3nnnc23)[C@@H](O)C1 1090296190 XFEQOIFKGCDVPT-OLZOCXBDSA-N 316.365 -0.135 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2ccoc2CC(N)=O)[C@H](O)C1 1090520611 QMJIRTRASWKPRK-QWHCGFSZSA-N 319.361 -0.504 30 20 DBED CC(=O)N(C)CC(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1C 1090677605 QNAKSKNKWHDCJD-ZWNOBZJWSA-N 316.365 -0.233 30 20 DBED CN(C)CCC(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@@H]1O 1091178430 OOFDWZNKFMLTCA-OCCSQVGLSA-N 303.366 -0.429 30 20 DBED CCOCC(=O)N[C@@H]1CCN(c2ccc(C#N)nn2)C[C@H]1O 1092129588 RPYVBECZMTXCPJ-VXGBXAGGSA-N 305.338 -0.559 30 20 DBED CCCOCC(=O)N[C@H]1CCN(c2ccc(C#N)nn2)C[C@@H]1O 1092142339 HBDRUCXDBAILEG-STQMWFEESA-N 319.365 -0.169 30 20 DBED CNC(=O)CC(=O)NC1[C@@H]2CN(c3ccc(C#N)nn3)C[C@@H]12 1093242143 POMMOSZFBYHART-NXEZZACHSA-N 300.322 -0.965 30 20 DBED CC#CCN1CC(OC2CCN(C(=O)[C@@H]3CNC(=O)N3)CC2)C1 1093566075 NAHSIZSOAPWVMP-AWEZNQCLSA-N 320.393 -0.617 30 20 DBED Cn1ncnc1COCC(=O)NCCNc1nccnc1C#N 1093828990 QBHAHXRYBBDMNQ-UHFFFAOYSA-N 316.325 -0.778 30 20 DBED Cc1ccc(C#N)c(NCCNC(=O)C2CS(=O)(=O)C2)n1 1093909944 MZOOLGVUDNVHMI-UHFFFAOYSA-N 308.363 -0.166 30 20 DBED COCCO[C@@H](C)C(=O)NCCCN=c1cc[nH]c(C#N)n1 1094585958 FYDFHUCVBUPHJC-NSHDSACASA-N 307.354 -0.260 30 20 DBED C=CCCN1CCN(C(=O)c2cc[nH]n2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094611540 OUDXORHIXNTUFI-QWHCGFSZSA-N 324.406 -0.091 30 20 DBED C[C@@H]1C[C@@H](C(=O)NCCCN=c2cc[nH]c(C#N)n2)CC(=O)N1 1094651992 OWAWSGUIILBUPN-GHMZBOCLSA-N 316.365 -0.397 30 20 DBED C=CCN1CCN(C(=O)Cc2ncc[nH]2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094673127 ZCWAXZFFYIMSMT-NWDGAFQWSA-N 324.406 -0.552 30 20 DBED C#CCCN1CC(N2C[C@H](NC(=O)c3cnsn3)CC2=O)C1 1094709631 NNMZFJODJJBGAS-SNVBAGLBSA-N 319.390 -0.424 30 20 DBED N#Cc1cnc(N2CCC(CNC(=O)CC(N)=O)CC2)cn1 1095344827 QHABUKAMGDOLMW-UHFFFAOYSA-N 302.338 -0.444 30 20 DBED CC(=O)N(C)CC(=O)N[C@H]1C[C@H](N=c2cc[nH]c(C#N)n2)C1 1096992817 BMJOGKPSCXIISB-XYPYZODXSA-N 302.338 -0.692 30 20 DBED CNC(=O)CC(=O)NC[C@@H]1CCCN(c2nccnc2C#N)C1 1097296358 WTDLDIYPUXFAJP-NSHDSACASA-N 316.365 -0.183 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCNC(=O)C1)Nc1ccc(C#N)nn1 1097773631 IIDCARBYIGOXPH-UWVGGRQHSA-N 302.338 -0.209 30 20 DBED CCn1ncc(C(=O)NC[C@H](C)N=c2cc[nH]c(C#N)n2)n1 1097810458 PNKPJOGTGVADHX-VIFPVBQESA-N 300.326 -0.388 30 20 DBED C[C@H](CNC(=O)CN1C(=O)CCC1=O)N=c1cc[nH]cc1C#N 1097848007 LOFQRPLXGFAESI-SNVBAGLBSA-N 315.333 -0.559 30 20 DBED C#CCN(CCO)C1CCN(C(=O)[C@]2(C)CNC(=O)C2)CC1 1098437098 LODBDVBFOGLNRR-INIZCTEOSA-N 307.394 -0.569 30 20 DBED CNC(=O)NCC(=O)N1CC[C@@H](CNc2ccc(C#N)nn2)C1 1098578756 DPMKXKRQYIPVRB-JTQLQIEISA-N 317.353 -0.462 30 20 DBED C#CCNCc1cn([C@H]2CCN(C(=O)c3cnn[nH]3)C2)nn1 1098688600 UDWKAODFBWXNSH-NSHDSACASA-N 300.326 -0.794 30 20 DBED NC(=O)CN[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C(F)(F)F 1099250398 KWRDEVGIIBVPNN-NXEZZACHSA-N 303.284 -0.136 30 20 DBED C#CCN[C@@H]1CN(C(=O)Cc2nc[nH]n2)C[C@H]1C(F)(F)F 1099330108 GJWLQTWWOWMIQZ-RKDXNWHRSA-N 301.272 -0.041 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)c2cccs2)[C@@H](O)C1 1099629823 ICKPSEIPETVKEU-RYUDHWBXSA-N 321.402 -0.338 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)C#CC(C)(C)C)[C@H](O)C1 1099827402 WUHKHXQEVJZIKR-UONOGXRCSA-N 321.421 -0.111 30 20 DBED Cn1nncc1CN1CC[C@@H](NC(=O)C#CC(C)(C)C)[C@H](O)C1 1099828983 BRLCLSDZKJJTLJ-ZIAGYGMSSA-N 319.409 -0.084 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)Cc2cnoc2)[C@@H](O)C1 1099962737 SUXKRUYMYPRBJF-STQMWFEESA-N 322.365 -0.929 30 20 DBED Cc1[nH]nc(C(=O)NCC2CC(NCC(=O)NCC#N)C2)c1O 1100245010 NVJYWGSSVTUOKI-UHFFFAOYSA-N 320.353 -0.839 30 20 DBED CCN(CCNC(=O)COCCOC)c1ccnc(C#N)n1 1100472758 KPGCMOSIJXZVSO-UHFFFAOYSA-N 307.354 -0.046 30 20 DBED CCN(CCNC(=O)[C@@H]1CCNC(=O)C1)c1nccnc1C#N 1100499122 WKIHFXHASFJDBC-LLVKDONJSA-N 316.365 -0.183 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)c2cncc(C#C)c2)C1 1100658350 ZEYYQXNSQLFIIR-UHFFFAOYSA-N 324.384 -0.090 30 20 DBED C=C(C)CNC1CC(CNC(=O)CNS(=O)(=O)N(C)C)C1 1100716648 KVDVZIDKZXMTSO-UHFFFAOYSA-N 318.443 -0.557 30 20 DBED CC(=O)N(C)CC(=O)NCCN(c1cnc(C#N)cn1)C1CC1 1101299899 YERMFFKOFMMKRS-UHFFFAOYSA-N 316.365 -0.088 30 20 DBED C=C(C)CN1CC2(C[C@@H](NC(=O)CC(N)=O)c3nccn32)C1 1101618914 JUDAKLPPVSHCTR-LLVKDONJSA-N 303.366 -0.094 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)c2cnns2)C1 1101760578 OKUFDEFJWZSCQI-GHMZBOCLSA-N 321.406 -0.415 30 20 DBED Cc1cc(=NCCN(C)C(=O)Cn2ncnn2)c(C#N)c[nH]1 1101800539 PGKZHNDANWLGBV-UHFFFAOYSA-N 300.326 -0.759 30 20 DBED C[C@H]1C[C@H](C(=O)N(C)CCN=c2cc[nH]c(C#N)n2)CC(=O)N1 1101839368 QKRXZJXOFCLOOL-QWRGUYRKSA-N 316.365 -0.445 30 20 DBED CN(CCNc1nccnc1C#N)C(=O)[C@@H]1CC[C@H]1C(N)=O 1101893220 TZFAJCFECKEKTE-NXEZZACHSA-N 302.338 -0.270 30 20 DBED CCN1C[C@H](C(=O)N(C)CCN=c2cc[nH]c(C#N)n2)CC1=O 1102004481 RJKUNCQNNIOAOK-LLVKDONJSA-N 316.365 -0.491 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1CCNC(=O)[C@H]1CCCO1 1102651228 WNQGYZDDCHROBW-MGPQQGTHSA-N 322.409 -0.121 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CCCCN(c2nccnc2C#N)C1 1102838801 XHNPLZHITILKMT-GFCCVEGCSA-N 316.365 -0.041 30 20 DBED CC[C@@H](CNC(=O)CO[C@H]1CCOC1)N=c1cc[nH]c(C#N)n1 1103196183 KNSDMFUUMRYGFB-RYUDHWBXSA-N 319.365 -0.118 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)[C@]1(C)CNC(=O)C1 1104139393 FUWLWRVWZHRNJO-BONVTDFDSA-N 316.365 -0.539 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](C)CNC(=O)[C@H]2CNC(=O)N2)n1 1104183421 HOIIQEKMXZQDMP-GZMMTYOYSA-N 317.353 -0.498 30 20 DBED N#Cc1cnc(NC[C@@H](O)CNC(=O)C2=COCCO2)c(F)c1 1105715395 RZFKEEIIQZKVIB-SNVBAGLBSA-N 322.296 -0.130 30 20 DBED CCCC(=O)NCC(=O)NC[C@H](O)CNc1ccc(C#N)nn1 1105728152 VBJOZYAXXIZXJG-LLVKDONJSA-N 320.353 -0.846 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)CCn2cncn2)nc1 1105758929 YDFGXQUDOMKOGY-GFCCVEGCSA-N 315.337 -0.476 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@H](O)CNc1nccc(OC)n1 1105805624 FJEABPZLEHROLL-HZMBPMFUSA-N 310.354 -0.299 30 20 DBED Cc1cc(=NC[C@@H](O)CNC(=O)[C@H](O)C(C)C)c(C#N)c[nH]1 1105839070 LWSAYQIYLNOCDK-TZMCWYRMSA-N 306.366 -0.411 30 20 DBED CC(C)[C@H](C(=O)NC[C@H](O)CN=c1cc[nH]cc1C#N)N(C)C 1105916867 BKHPGFUFWNNUAZ-UKRRQHHQSA-N 319.409 -0.150 30 20 DBED C#CCOCCC(=O)NC[C@H](O)CNc1cc(OCC)ncn1 1105967340 ZQJJCIRXEMVRKZ-GFCCVEGCSA-N 322.365 -0.196 30 20 DBED C[C@@H]1CN(C(=O)Cc2cc[nH]n2)C[C@H]1CNCC(=O)NCC#N 1105971574 GZVBHPVSBLRONW-VXGBXAGGSA-N 318.381 -0.724 30 20 DBED CN1C(=O)CC[C@@H]1C(=O)NC[C@@H](O)CNc1ncccc1C#N 1106070428 QSFHHOFREGVMJZ-NWDGAFQWSA-N 317.349 -0.537 30 20 DBED C#Cc1cncc(C(=O)NC[C@@H](O)CNc2cnc(C#N)cn2)c1 1106099334 BFIHBVGGOIGILI-AWEZNQCLSA-N 322.328 -0.073 30 20 DBED C[C@@H]1CCO[C@@H]1C(=O)NC[C@H](O)CN=c1cc[nH]cc1C#N 1106121568 CDMNQQLVLNAYCN-QKCSRTOESA-N 304.350 -0.311 30 20 DBED C[C@@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)[C@H]1CN(C)CCO1 1106293125 BRBLQSFBSLJIHT-NWDGAFQWSA-N 318.381 -0.593 30 20 DBED C=C(C)CNC[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)N2)C[C@H]1C 1106991589 HTXKOOKAGWGUED-UPJWGTAASA-N 315.439 -0.062 30 20 DBED C#CCNC(=O)CC(=O)NC/C=C/CNc1cc(F)ncn1 1107130533 PWISTWLBBMNJBH-ONEGZZNKSA-N 305.313 -0.161 30 20 DBED CC[C@@H](C(N)=O)N1CC(n2cc(CNC(=O)[C@@H](C)C#N)nn2)C1 1107149708 OIGBMIAUPWZUDY-CABZTGNLSA-N 319.369 -0.825 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)CN1CCCC1=O 1107636392 NTBABPHAOAWCNZ-SNVBAGLBSA-N 302.338 -0.691 30 20 DBED C[C@]1(CNC(=O)[C@H]2CCCO2)CN(CC(=O)NCC#N)CCO1 1107718973 UHYHREWGEKXZRT-DOMZBBRYSA-N 324.381 -0.988 30 20 DBED CCN1C[C@@H](C(=O)NC[C@@]2(C)CN(CC#N)CCO2)CC1=O 1107982971 FDTDCTIJVUITBD-WFASDCNBSA-N 308.382 -0.415 30 20 DBED CNC(=O)C1(C(=O)N[C@@H](C)CN=c2cc[nH]c(C#N)n2)CC1 1108440264 OLNLGTYZMCQZCF-VIFPVBQESA-N 302.338 -0.787 30 20 DBED C[C@@H](CNc1cnc(C#N)cn1)NC(=O)C[C@H]1CCC(=O)N1 1108448628 VEJHHTMQCHZDCV-VHSXEESVSA-N 302.338 -0.066 30 20 DBED CC#CCN1CC(N2C[C@@H](NC(=O)[C@@H](CC)N(C)C)CC2=O)C1 1108553729 UVGHOGLZLCWQJU-DZGCQCFKSA-N 320.437 -0.249 30 20 DBED C=C[C@H](CC)CC(=O)N[C@@H]1CC(=O)N(C2CN(CC(N)=O)C2)C1 1108566844 OVHGCEOLDQQMOP-VXGBXAGGSA-N 322.409 -0.525 30 20 DBED C[C@@H](CNc1ccc(C#N)nn1)NC(=O)[C@H]1CCCNC1=O 1108570458 LYEDURXJAGHGHY-ONGXEEELSA-N 302.338 -0.209 30 20 DBED C[C@@H](CNc1cnc(C#N)cn1)NC(=O)[C@]1(C)CCNC1=O 1108694176 GMZRSXNQVHFRRS-LKFCYVNXSA-N 302.338 -0.209 30 20 DBED C[C@H](CN(C)c1cncc(C#N)n1)NC(=O)CCn1cncn1 1108825773 KUVLRQGSJNEPAV-LLVKDONJSA-N 314.353 -0.029 30 20 DBED C[C@H](C(=O)NC(N)=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C#CC1CC1 1109259904 YDVWNWXWBOBFPW-XEZLXBQYSA-N 318.377 -0.295 30 20 DBED CN(CCCNc1ccc(C#N)nn1)C(=O)CCn1cnnn1 1109498537 AKVBZCLCEWYZJO-UHFFFAOYSA-N 315.341 -0.315 30 20 DBED N#Cc1ccc(NC2(CNC(=O)[C@@H]3CCC(=O)N3)CC2)nn1 1110189096 FOWFJXTVGVGERT-JTQLQIEISA-N 300.322 -0.312 30 20 DBED C#CCNC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCN(C)C 1110980108 QGLKYGPQLIQHCM-YJNKXOJESA-N 320.437 -0.203 30 20 DBED COCCCC(=O)NC[C@@]1(O)CCN(c2cncc(C#N)n2)C1 1111052082 IQHUMFWSNYPFOM-HNNXBMFYSA-N 319.365 -0.168 30 20 DBED CN(C(=O)CC(C)(C)O)[C@H]1CN(c2nccnc2C#N)C[C@@H]1O 1111181291 OLRJDPOVFFOQQY-RYUDHWBXSA-N 319.365 -0.483 30 20 DBED CC(=O)NCC(=O)N1C[C@H](CNc2cnc(C#N)cn2)[C@@H](C)C1 1111232254 DMYZHHBWJDEVNX-JQWIXIFHSA-N 316.365 -0.009 30 20 DBED N#Cc1cncc(NC2(CNC(=O)Cn3cnnn3)CCC2)n1 1111754398 CKUTYLWCGCJSRO-UHFFFAOYSA-N 313.325 -0.514 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)C2CCOCC2)CC1 1112595808 TUECLEGTCPQWHD-CYBMUJFWSA-N 307.394 -0.305 30 20 DBED Cc1cn(C)nc1C(=O)N1CCN(CC(=O)NCC#N)CC1 1112835703 KOOCXAVWCNAJRL-UHFFFAOYSA-N 304.354 -0.874 30 20 DBED C[C@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)N(C)c1nccnc1C#N 1113802043 GLDJUGBAINMZNX-KOLCDFICSA-N 317.353 -0.687 30 20 DBED C[C@@H]1CCN(c2cncc(C#N)n2)C[C@H]1NC(=O)CNC(N)=O 1113998509 YUWFRSHRGVGXSF-MWLCHTKSSA-N 317.353 -0.652 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)C3=COCCC3)[C@H]2C1 1114001576 FGBMYEQSWHQSHT-UBHSHLNASA-N 317.389 -0.135 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)Cc3cc(C)[nH]n3)[C@@H]2C1 1114122746 NXDZFAXWTLURMR-CHWSQXEVSA-N 315.377 -0.944 30 20 DBED C#CCC1(C(=O)NC2[C@H]3CN(CC(N)=O)C[C@H]23)CCOCC1 1114395075 OBPPKYNTWOLSRM-RYUDHWBXSA-N 305.378 -0.662 30 20 DBED N#CCNC(=O)CN1C[C@H]2C(NC(=O)[C@@H]3CCC3(F)F)[C@@H]2C1 1114447008 DUZOCIXEBYIIEA-BBBLOLIVSA-N 312.320 -0.282 30 20 DBED C#CCCN1C[C@@H]2C(NC(=O)CS(=O)(=O)CCOC)[C@H]2C1 1114481645 ZKVGDLKPGGGGIY-RYUDHWBXSA-N 314.407 -0.883 30 20 DBED CN1CC[C@H](CC(=O)N[C@H]2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]32)C1 1115127989 CPRYMXYXKUSVSA-FOCJUVANSA-N 319.409 -0.986 30 20 DBED N#Cc1cccc(NC(=O)CCNCCN2CCNC(=O)C2)c1 1118149892 ROUPSNBYVYXEOF-UHFFFAOYSA-N 315.377 -0.092 30 20 DBED C=CCCOCCNC(=O)C(=O)N1CCC2(CCNC2=O)CC1 1119149856 QOYRWBZIJSHJGW-UHFFFAOYSA-N 323.393 -0.176 30 20 DBED C[C@@H](CN(C)C(=O)Cc1nc[nH]n1)Nc1cncc(C#N)n1 1120067282 DQKBGUQTMXGLHA-VIFPVBQESA-N 300.326 -0.032 30 20 DBED C#CCNC(=O)CNC1CC2(C1)CC(NC(=O)[C@H]1CCOC1)C2 1120747048 JFDOAPSBSYLVDK-FBVPLBQTSA-N 319.405 -0.211 30 20 DBED CC(=O)N[C@@H](C)C(=O)NC[C@H](CO)Nc1nc(C)cc(C#N)n1 1121010051 JGMWBXNKIHVCEK-JOYOIKCWSA-N 320.353 -0.930 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)[C@H]2CCNC(=O)C2)nc1 1121312027 YBJLPVNVMWZKRY-NWDGAFQWSA-N 317.349 -0.632 30 20 DBED Cc1cc(=N[C@H](CO)CNC(=O)CCCC(N)=O)c(C#N)c[nH]1 1121710402 BMGZMDFLOKEVJC-LBPRGKRZSA-N 319.365 -0.772 30 20 DBED C=CCO[C@H](C)C(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1 1121748525 BZEKERFSSJPXPL-GHMZBOCLSA-N 305.338 -0.750 30 20 DBED C=CCO[C@H](C)C(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1 1121748526 BZEKERFSSJPXPL-MNOVXSKESA-N 305.338 -0.750 30 20 DBED CN1C(=O)CC[C@H]1C(=O)NC[C@@H](CO)Nc1ccc(C#N)cn1 1122334741 WSDUKEQUBHMJQS-RYUDHWBXSA-N 317.349 -0.537 30 20 DBED Cc1cc(C#N)nc(N[C@@H](CO)CNC(=O)c2n[nH]cc2F)n1 1122494505 SVGCCZKSXLKHLG-SECBINFHSA-N 319.300 -0.278 30 20 DBED CNC(=O)NCC(=O)NC[C@H](CO)Nc1ccc(C#N)c(C)n1 1122782801 DVDGQAKQZLZPPO-LLVKDONJSA-N 320.353 -0.920 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)c2cn(C)nc2C)C1=O 1124981108 ZNSRHFKRJLYABK-ZDUSSCGKSA-N 305.382 -0.165 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)C(F)=C(C)C 1125592452 GAVPYLRVSKYJQV-UHFFFAOYSA-N 300.334 -0.033 30 20 DBED CC(C)NC(=O)NC(=O)[C@@H](C)NCCNC(=O)C#CC1CC1 1126886363 QTHXLZQMZOFVIO-LLVKDONJSA-N 308.382 -0.272 30 20 DBED CCOCC(=O)N[C@H]1CCc2nnc(CNCC#N)n2CC1 1127924646 IJJQOWLEFJJKII-NSHDSACASA-N 306.370 -0.251 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1ccc(OC(C)C)nc1 1128813712 AVQIEDQYBOGBJM-UHFFFAOYSA-N 318.377 -0.062 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1ncoc1C(F)(F)F 1130578251 ZJZXGBLFZKCXAY-UHFFFAOYSA-N 318.255 -0.238 30 20 DBED C#CCNC(=O)CN1CC[C@]2(C1)CN(C(=O)C1CC1)C[C@@H](C)O2 1131612235 DISTWQPPSLEENZ-DYVFJYSZSA-N 319.405 -0.162 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)CCCCc1cnn[nH]1 1131780285 JYICUPSHRCFOLY-GFCCVEGCSA-N 320.397 -0.639 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)[C@H]1CCC(=O)N1C 1132764625 VRIJHTWTVUOSCE-CYBMUJFWSA-N 322.409 -0.486 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)CN2CCNC(=O)C2)CC[C@H]1C 1133032354 YVNWXWZWBYHRIA-HUUCEWRRSA-N 320.437 -0.484 30 20 DBED COCC#CCN[C@H](C)C[C@@H](C)NC(=O)CS(C)(=O)=O 1133836851 VBJOBKJSHZDLNJ-VXGBXAGGSA-N 304.412 -0.446 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1=O 1133922574 XAXXJOOUNIRYJX-XQQFMLRXSA-N 322.409 -0.797 30 20 DBED COCC#CCN[C@@H](C)C[C@H](C)NC(=O)CN1CC(=O)NC1=O 1135692268 HSZMKZPAFBCJEZ-RYUDHWBXSA-N 324.381 -0.939 30 20 DBED C=CCNC(=O)CN1CCC2(C1)CN(C(=O)c1cncn1C)C2 1147851752 JNBUANRPAHAGRP-UHFFFAOYSA-N 317.393 -0.130 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)[C@H]2CCN(C(C)=O)C2)C1=O 1149317844 PTJHQLJKRYQNNK-KBPBESRZSA-N 322.409 -0.653 30 20 DBED C#CCCN(CC)[C@H](C)CNC(=O)CNS(=O)(=O)CC 1153694225 ZEGDZTLREOMIGM-GFCCVEGCSA-N 303.428 -0.224 30 20 DBED C[C@@H](C#N)C(=O)NCCCN[C@H]1CCN(c2cnn(C)c2)C1=O 1155848849 QIHIWRXSJNLUOQ-AAEUAGOBSA-N 318.381 -0.219 30 20 DBED N#Cc1cc(C(=O)NCCCNC[C@H](O)Cn2cccn2)c[nH]1 1156852572 GCJZUVJIYLQIII-AWEZNQCLSA-N 316.365 -0.147 30 20 DBED COCC#CCNCCCNC(=O)CNC(=O)c1ccoc1 1158644609 BMAQZLBLEJZWKJ-UHFFFAOYSA-N 307.350 -0.245 30 20 DBED C[C@@H](C(=O)NC(N)=O)N1CC=C(CCNC(=O)[C@H](C)C#N)CC1 1159595427 YQVQQZFMPAEXQS-MNOVXSKESA-N 321.381 -0.132 30 20 DBED C#CCNC(=O)CNCCCC[C@H](C)NC(=O)c1nc[nH]n1 1175762315 VUHUCMAYTWKLSK-NSHDSACASA-N 306.370 -0.568 30 20 DBED CC#CCCCC(=O)N1CC[C@H]2OCCN(CC(N)=O)[C@H]2C1 1177080136 JWHLMZQDDFNEQJ-UONOGXRCSA-N 307.394 -0.033 30 20 DBED C=CCO[C@H](C)C(=O)NCCCNCC(=O)NCCOCC 1177269593 RTJCDGKXYGNBDI-CYBMUJFWSA-N 315.414 -0.174 30 20 DBED COCC(=O)N(C)CC(=O)N1C[C@H]2CC[C@H]1[C@H](CNCC#N)C2 1177782846 GHSXSTAXSKSZKM-IHRRRGAJSA-N 322.409 -0.169 30 20 DBED C=CCN(CC=C)C(=O)CN[C@H]1CCN(C(=O)CC(N)=O)[C@H]1C 1178396300 ZQDOXUSZNFIYON-STQMWFEESA-N 322.409 -0.359 30 20 DBED C=CCCNCc1cn([C@@H]2CCCN(C(=O)CC(N)=O)C2)nn1 1185898237 CMYWQYJZLFSXMA-CYBMUJFWSA-N 320.397 -0.017 30 20 DBED C=CCC[C@H](C)N[C@@H]1CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)C1 1186119558 SFAANOAQTZJNFA-YUTCNCBUSA-N 324.425 -0.088 30 20 DBED C#CCN1C[C@@H]2CCN(C(=O)CNC(=O)c3ccncc3)[C@@H]2C1 1187991536 RHPJTHJLXOUESN-LSDHHAIUSA-N 312.373 -0.023 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)[C@@H]2COCCN2C)C1 1189695883 UAVDUPNYRIYNBC-KGLIPLIRSA-N 324.425 -0.848 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)CCCC(=O)NC)C1 1192414177 WKOVCNYOGROXMM-CHWSQXEVSA-N 313.398 -0.733 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C(C)=C2CCC2)C1 1192731767 PPUGGHQTFNYHQJ-ZIAGYGMSSA-N 305.378 -0.603 30 20 DBED CN(CC(=O)NCC#N)[C@H]1CCN(C(=O)Cc2ncc[nH]2)C1 1193048373 PRRREEMQRIMVDF-NSHDSACASA-N 304.354 -0.875 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)c2cccc(O)n2)CC1 1195419182 VQZILORGCPSSBU-UHFFFAOYSA-N 316.361 -0.316 30 20 DBED C=CCCCC(=O)N[C@@H]1CN([C@H](C)c2nnnn2C)C[C@H]1O 1195733086 YOKJVXWRGFTZEF-IJLUTSLNSA-N 308.386 -0.211 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@H]1CN(C(=O)C(F)F)CCCO1 1199634713 VWWDZSXWCQRJLX-MNOVXSKESA-N 317.336 -0.404 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@@H]1CN(C(=O)C2CC2)CCCO1 1199672736 NJZPKUVUYSMKHR-GXTWGEPZSA-N 307.394 -0.259 30 20 DBED C#CCNC(=O)CC(=O)N1CCC(NCc2ncnn2C)CC1 1200171273 VYLRSRFWQOLLFS-UHFFFAOYSA-N 318.381 -0.965 30 20 DBED COc1coc(C(=O)N2CCCO[C@H](CNCC#N)C2)cc1=O 1200966541 LZSBKIFSSRKSFN-LLVKDONJSA-N 321.333 -0.007 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)c2c(C)ncn2C)CC1 1201149909 OOUUMQHGXWEGOC-UHFFFAOYSA-N 317.393 -0.328 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)C2CC(=O)NC(=O)C2)CCCO1 1201629857 OGATXUVVSAHERA-CYBMUJFWSA-N 321.377 -0.730 30 20 DBED C#CCNC[C@H]1CN(C(=O)[C@@H]2CCCCN2C(N)=O)CCCO1 1201822495 BCMAHNYYXDXAPB-KBPBESRZSA-N 322.409 -0.240 30 20 DBED COCC#CCN[C@@H]1C[C@@H](NC(=O)Cn2nccn2)C12CCC2 1202961143 VIQXFFYSOUKMGN-ZIAGYGMSSA-N 317.393 -0.055 30 20 DBED C=CCOCC(=O)N[C@@H]1CN([C@@H](C)C(=O)NC(N)=O)C[C@H]1C 1206586424 ZPGRWVBVWMNUOS-OUAUKWLOSA-N 312.370 -0.791 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@@H](NCc2ccn(C)n2)C1 1207870299 VQPNXPNZXWZBAL-CQSZACIVSA-N 317.393 -0.360 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCC[C@H](NCCOCCO)C1 1207951646 WCCUGTZTLBDOKJ-DZGCQCFKSA-N 300.399 -0.097 30 20 DBED C#CCN[C@H]1CCCN(C(=O)[C@H](CCC)S(N)(=O)=O)C1 1208759767 UUJAMXQEYZTITC-RYUDHWBXSA-N 301.412 -0.343 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2cccs2)[C@H](OC)C1 1211784273 SSXDEMZVATWMRT-VXGBXAGGSA-N 321.402 -0.074 30 20 DBED C=CCOCC(=O)N[C@@H]1CN([C@H](C)c2nncn2C)C[C@H]1OC 1212032060 HUTAZHLHOMXPBC-JHJVBQTASA-N 323.397 -0.106 30 20 DBED COCC#CCN1C[C@@H](NC(=O)Cc2cncnc2)[C@H](OC)C1 1212182784 LUIPYZAWKZZQIQ-HUUCEWRRSA-N 318.377 -0.516 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CN2CCCC2)C[C@H]1C 1216757735 KIZRKHZCNYXNJC-RBSFLKMASA-N 320.437 -0.343 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CNC(=O)CCC 1217426903 UHTOCWAEQAJRAG-UONOGXRCSA-N 307.394 -0.162 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CN(CCNC(=O)C2CC2)C[C@@H]1O 1219593238 IUHZMDBICXEMCG-KGLIPLIRSA-N 305.378 -0.913 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2nc(C)no2)C[C@@H]1O 1219603143 UQNLOCACDYQRGL-WCQGTBRESA-N 308.338 -0.922 30 20 DBED C#CCC1(C(=O)N[C@@H]2CN(Cc3nc(O)n[nH]3)C[C@@H]2O)CCC1 1219785048 BLERGKRRCBEVDL-MNOVXSKESA-N 319.365 -0.635 30 20 DBED CN(CCC(=O)N[C@@H]1CN(CC#N)C[C@@H]1O)c1ccncc1 1219910622 LRUOMYCEBVUAOY-KGLIPLIRSA-N 303.366 -0.407 30 20 DBED C=CCNC(=O)NC(=O)CN1CC[C@@H]2CN(C(=O)C3CC3)[C@@H]2C1 1221214255 YVGWKNCRDPKCJQ-CHWSQXEVSA-N 320.393 -0.059 30 20 DBED C=CCNC(=O)CN1CC[C@@H]2CN(C(=O)C3(C(N)=O)CC3)[C@@H]2C1 1221778327 FGSBEEGAAWZVHQ-VXGBXAGGSA-N 320.393 -0.913 30 20 DBED C[C@@H]1CCO[C@@H]1C(=O)N1C[C@H]2CCN(CC(=O)NCC#N)C[C@H]21 1221820248 ULGJZRUGWCISIG-BHPKHCPMSA-N 320.393 -0.416 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC(CNC(=O)c2cnon2)CC1 1224893832 BYWNZEOCZZHZDB-NSHDSACASA-N 319.365 -0.351 30 20 DBED N#CCNC(=O)CN1CCC(NC(=O)c2nccs2)CC1 1229697267 RUVAPHFGGSHNRT-UHFFFAOYSA-N 307.379 -0.023 30 20 DBED Cc1nonc1CC(=O)NC1CCN(CC(=O)NCC#N)CC1 1229832339 NWVXUOMRAPKORQ-UHFFFAOYSA-N 320.353 -0.859 30 20 DBED C#CCN1CCS(=O)(=O)[C@@H](CCNC(=O)[C@H]2CCCO2)C1 1230416447 IXKTYPNLFUYNHB-QWHCGFSZSA-N 314.407 -0.596 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)Cn1cc(C)cn1 1230976173 JPKXHCFLURWYME-AWEZNQCLSA-N 317.393 -0.526 30 20 DBED C=CCNC(=O)CN1CC[C@H]1CN(C)C(=O)[C@@H]1CCNC(=O)C1 1233611258 ODXRJANQIGPPGC-OLZOCXBDSA-N 322.409 -0.653 30 20 DBED CCS(=O)(=O)C[C@@H](C)NC(=O)C(=O)N[C@@H]1CC[C@H](C#N)C1 1261447045 OPCMIZUTERSKGI-OUAUKWLOSA-N 315.395 -0.266 30 20 DBED C#CCC[C@@H](O)CNC(=O)c1nnn(Cc2noc(C)n2)c1C 1321198230 VBSKJXPJMJLDDD-LLVKDONJSA-N 318.337 -0.170 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)NC2CCN(CC3CC3)CC2)CCO1 1321647394 XLNPZGWUVOJFAV-AWEZNQCLSA-N 320.393 -0.272 30 20 DBED C=CCn1c(COC)nnc1N(C)CCNS(C)(=O)=O 1325205121 HSEFNAFNMXLGKP-UHFFFAOYSA-N 303.388 -0.404 30 20 DBED C=CC[C@H](NC(=O)C(=O)NCC(=O)NOCC)c1ccncc1 1327509505 VPMKOCAFPLOPHJ-LBPRGKRZSA-N 320.349 -0.001 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)CCO1 1328386037 VNYMGEBMTPCMFG-KGLIPLIRSA-N 320.393 -0.176 30 20 DBED Cc1cc(NC(=O)C(=O)NC[C@@]2(O)CCN(C)C2)ncc1C#N 1329053523 HSLZQWTWGRNXJN-HNNXBMFYSA-N 317.349 -0.617 30 20 DBED C=CCCn1cc(C(=O)NCc2nc(O)cc(CN)n2)nn1 1330591458 IFIKBWFOKARBQA-UHFFFAOYSA-N 303.326 -0.262 30 20 DBED C#CC1(O)CN(C(=O)Nc2cnn(CCN3CCOCC3)c2)C1 1334195697 YAIXUJSDULJTCI-UHFFFAOYSA-N 319.365 -0.573 30 20 DBED C=CCNC(=O)Cn1nnnc1N1CCO[C@@H](C(F)(F)F)C1 1335436621 KQVDIHQCVRVVID-MRVPVSSYSA-N 320.275 -0.257 30 20 DBED C=C(C)Cn1c(N2CCNC(=O)C2)nnc1[C@@](C)(O)COC 1343735885 CBGJKEBVMRAAIK-AWEZNQCLSA-N 309.370 -0.356 30 20 DBED C=CC1CCN(C(=O)C(=O)N2C[C@@H](O)C[C@@H](C(=O)OC)C2)CC1 1345966978 WMLIZHYSHHMMOL-OLZOCXBDSA-N 324.377 -0.207 30 20 DBED C=CCOCCNC(=O)C(=O)NC[C@@H]1CCCCS1(=O)=O 1347345794 OHZVAPCXGOFZID-NSHDSACASA-N 318.395 -0.611 30 20 DBED C=CCCOCC(=O)N[C@@H]1CCN(c2cc(=O)n(C)c(O)n2)C1 1350785781 HSCXKRIFSXLUGT-LLVKDONJSA-N 322.365 -0.227 30 20 DBED N#Cc1cccc(OCCN2C[C@@H](C(N)=O)[C@H](C(N)=O)C2)c1 1363302604 JNTNKGBJMYONGY-CHWSQXEVSA-N 302.334 -0.544 30 20 DBED CN(C)C(=O)N[C@H]1CCCN(C(=O)Cn2cnc(C#N)n2)C1 1363444457 OBDMLZJKXBHOIM-JTQLQIEISA-N 305.342 -0.588 30 20 DBED Cn1c(=O)[nH]c(NC[C@H]2CCCCS2(=O)=O)c(C#N)c1=O 1364165433 BWYJPLZILFJGDR-MRVPVSSYSA-N 312.351 -0.676 30 20 DBED Cn1cc([C@H]2CN(C(=O)Cn3cnc(C#N)n3)CCN2)cn1 1364363812 OTPJWQCUTYDBGE-LLVKDONJSA-N 300.326 -0.944 30 20 DBED COC(=O)[C@@H]1C[C@H](O)CN(C(=O)Nc2nn(C)cc2C#N)C1 1365041701 YSXQYWPJPQPALM-SCZZXKLOSA-N 307.310 -0.321 30 20 DBED CNS(=O)(=O)NC1CCN(C(=O)NCC2(C#N)CC2)CC1 1365585002 ZAODPULEIFEHCH-UHFFFAOYSA-N 315.399 -0.482 30 20 DBED CC(=O)N(C)CC(=O)N1CCC2(C1)CN(C(=O)[C@H](C)C#N)C2 1383611732 ADEHCEYCQGUUEH-LLVKDONJSA-N 306.366 -0.315 30 20 DBED C[C@@H](CNC(=O)c1c[nH]c(C#N)c1)NC(=O)Cn1cncn1 1386233029 RJKJQCXCTAHCIO-VIFPVBQESA-N 301.310 -0.587 30 20 DBED CC(C)c1nn(C)cc1C(=O)NC[C@@H](O)CNC(=O)[C@H](C)C#N 1392099854 QLBFLZGWPFILTH-MNOVXSKESA-N 321.381 -0.090 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H](O)CNC(=O)c2cc(F)c[nH]2)c1 1399816115 HOPIPCOIGWYRED-JTQLQIEISA-N 319.296 -0.126 30 20 DBED CC[C@H](NC[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCO1)C(N)=O 1407847120 XHBOOKPIBFAAFT-NEPJUHHUSA-N 319.365 -0.419 30 20 DBED CN(C)c1ccc(NC(=O)Cn2cc(C#N)c(O)nc2=O)cn1 1413837756 OAJAAZQVJBZCKR-UHFFFAOYSA-N 314.305 -0.080 30 20 DBED CNC(=O)CCCC(=O)NCCN(C)C(=O)c1c[nH]c(C#N)c1 1415476046 WGAHJZVFRNXQDL-UHFFFAOYSA-N 319.365 -0.009 30 20 DBED C=C(Cl)CNC[C@H](O)CNC(=O)[C@@H](NC(N)=O)C(C)(C)C 1422406167 XIMXVFJTCSQRPX-VHSXEESVSA-N 320.821 -0.111 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H](CNC(=O)C2(NC(N)=O)CC2)C1 1447600310 UVFUNTHNIFSZFC-GHMZBOCLSA-N 321.381 -0.298 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](NC(=O)C1(NC(N)=O)CC1)C(C)(C)C 1452068894 ZMUKWLZCTBLMTM-UWVGGRQHSA-N 323.397 -0.006 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)CCCC(N)=O)C2)[nH]1 1453983552 BMBKCIHIILOFKS-NSHDSACASA-N 317.349 -0.127 30 20 DBED Cn1cc(S(=O)(=O)N2CC[C@@](F)(C#N)C2)c(O)nc1=O 1475199479 LHVHQXHCDGHHBS-SNVBAGLBSA-N 302.287 -0.888 30 20 DBED C#CCNC(=O)CN1CCC[C@H](NC(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1481536542 CQRMDBWMVJHDLM-RMRHIDDWSA-N 305.378 -0.791 30 20 DBED C=C(Cl)CNC[C@@H](C)NC(=O)Cn1cnc(C(N)=O)n1 1483128427 BWIIVJPRTMLYAZ-MRVPVSSYSA-N 300.750 -0.776 30 20 DBED C[C@@H](CN(C)C(=O)c1ccc(=O)n(C)n1)NC(=O)[C@@H](C)C#N 1487912421 JDNKYPLRRVFXSQ-UWVGGRQHSA-N 305.338 -0.483 30 20 DBED C[C@@H](C#N)C(=O)NC1CCN(C(=O)[C@@H]2CCC(=O)NC2)CC1 1492105961 GLWSXPIYSJBNQL-WDEREUQCSA-N 306.366 -0.221 30 20 DBED CC[C@H](CNC(=O)CNC(=O)NC)NC(=O)c1c[nH]c(C#N)c1 1499140879 LPKWOOXMGGVLBU-SNVBAGLBSA-N 320.353 -0.560 30 20 DBED CCO[C@@H](C)C(=O)NC[C@H](O)CN(C)C(=O)c1cc(C#N)c[nH]1 1511516588 RVQVBMONENBQCD-JQWIXIFHSA-N 322.365 -0.140 30 20 DBED C=CCn1c([C@H]2CC(=O)N(C)C2)nnc1N(C)CCC(=O)NC 1519552626 YJBKRVHIWAIUFD-NSHDSACASA-N 320.397 -0.018 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CCN(C(=O)c2cnc(O)n2C)C1 1523140576 YRTSTVOULKFKED-ZJUUUORDSA-N 305.338 -0.042 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H](NC[C@H](O)COC)C2)nn1 1566774792 OKJPUSIMWLLRRL-RYUDHWBXSA-N 309.370 -0.725 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@@H](N=c2cc[nH]c(-c3nn[nH]n3)n2)C1 1573587152 WZBKMVRIDXQCOM-HLTSFMKQSA-N 313.325 -0.703 30 20 DBED CCn1cc(C#N)c(NC(=O)NC[C@H](O)[C@@H](C)O)c1C(=O)O 1573844171 AGRYDQRJVUIDID-APPZFPTMSA-N 310.310 -0.059 30 20 DBED Cn1ncc(C(=O)O)c1NC(=O)Cn1ccc(C#N)cc1=O 1574226694 PLWQHJOUEQEXLK-UHFFFAOYSA-N 301.262 -0.210 30 20 DBED CC1(NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CNC1 1576539043 AJILRUJZAVETNS-UHFFFAOYSA-N 307.375 -0.049 30 20 DBED N#C[C@H]1CNC[C@H]1NC(=O)N1CCC(n2cnnc2O)CC1 1580044252 YTBBDECBOCCXJC-GXSJLCMTSA-N 305.342 -0.558 30 20 DBED C#C[C@H](NS(=O)(=O)c1cc(C(=O)O)[nH]n1)C1CCOCC1 1588377208 JUJRHMMJCKETNG-VIFPVBQESA-N 313.335 -0.185 30 20 DBED C#C[C@@H]1CCCCN1C(=O)C(=O)N1CCC([C@@H](O)C(=O)O)CC1 1588382351 NCYBDWCXULPYAV-CHWSQXEVSA-N 322.361 -0.315 30 20 DBED C#Cc1cncc(C(=O)NC[C@]2(C(=O)O)C[C@@H]2S(C)(=O)=O)c1 1588529460 ZIVPOISNERGJFY-SMDDNHRTSA-N 322.342 -0.319 30 20 DBED C=CCOCC(=O)NCCNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 1588676215 ROKGIKUBMOGHHF-UHFFFAOYSA-N 319.325 -0.757 30 20 DBED CC[C@@H](CNC(=O)C(=O)Nc1ccn(CCC#N)n1)C(=O)O 1595134942 GIZLCOKMFZKYDW-VIFPVBQESA-N 307.310 -0.038 30 20 DBED N#Cc1cccc([C@H](OC(=O)C[C@@H]2NC(=O)NC2=O)C(=O)O)c1 1601117039 ASWCYBOCRJGEIW-ONGXEEELSA-N 317.257 -0.175 30 20 DBED C[C@@](CO)(NC(=O)CNC(=O)c1ccc(C#N)cc1)C(=O)O 1604190945 LICMKMCBBZPEIU-AWEZNQCLSA-N 305.290 -0.760 30 20 DBED N#Cc1nc(NC(=O)CN2CCCC2=O)[nH]c1-c1nn[nH]n1 1606355498 FPXKTVBGFPRICD-UHFFFAOYSA-N 301.270 -0.978 30 20 DBED O=C1N=C(NN=C2CCc3ccc(-c4nn[nH]n4)cc32)NC1=O 1607049181 CVIJXIDWMFBKAT-UHFFFAOYSA-N 310.277 -0.881 30 20 DBED Cn1c(O)c(C(=O)/C=C/c2ccc(C(=O)O)o2)c(=O)n(C)c1=O 1608091224 BLKCQRIHEWKSCP-HWKANZROSA-N 320.257 -0.023 30 20 DBED COC(=O)c1cc(S(=O)(=O)N2CCO[C@H](C#N)C2)on1 1646028441 IKMURELAOPZXIB-SSDOTTSWSA-N 301.280 -0.626 30 20 DBED N#CCNC(=O)CN[C@H](CNC(=O)c1ccsn1)C1CC1 1752468966 RJMIHHWXTJYKSM-LLVKDONJSA-N 307.379 -0.119 30 20 DBED COCC#CCN(C)C[C@H]1CCCN(C(=O)CCNC(N)=O)C1 1752524585 FSTGNDLYKPNDSP-CQSZACIVSA-N 324.425 -0.135 30 20 DBED C#CCNC(=O)CN[C@H](C)CNC(=O)c1ccnn1C(C)C 1752875445 UFHRVCUYSQAICY-GFCCVEGCSA-N 305.382 -0.079 30 20 DBED C[C@H](CNC(=O)[C@@H](C)Oc1cccnc1)NCC(=O)NCC#N 1752899589 COOKTULDYMZHLQ-VXGBXAGGSA-N 319.365 -0.417 30 20 DBED C=CCN1CC[C@@H](NCCN(C)C(=O)c2cncnc2)C1=O 1753182634 FPXKPNIIJRTAHL-CYBMUJFWSA-N 303.366 -0.075 30 20 DBED CCC[C@H](C(=O)N(C)[C@@H]1CCN(CC#N)C1)S(N)(=O)=O 1753443594 ZTGSLSHGHJHQFZ-GHMZBOCLSA-N 302.400 -0.500 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@@H](N(CC)C(=O)c2nc[nH]n2)C1 1753459507 QEAHFILXHSCFHM-NWDGAFQWSA-N 318.381 -0.521 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](C)CNCC(=O)NCC#N 1753634166 LYKJKOQSINLYFJ-YDHLFZDLSA-N 322.409 -0.051 30 20 DBED C=CCN[C@H]1CCN(C(=O)CNS(=O)(=O)N(C)C)C[C@@H]1C 1753760037 GEXFWPRSLKBXED-RYUDHWBXSA-N 318.443 -0.605 30 20 DBED CC(C)N(C)CC(=O)N1CC[C@@H](NCC(=O)NCC#N)[C@@H](C)C1 1753768720 LVWUZWQUWZKKHI-UONOGXRCSA-N 323.441 -0.207 30 20 DBED C#CCNC(=O)CNC[C@H](O)CNC(=O)C[C@@H]1CC=CCC1 1753923250 FRGZVCDIERUDCQ-KGLIPLIRSA-N 307.394 -0.451 30 20 DBED C#CCCNC[C@@H](O)CNC(=O)c1cccc(-n2cccn2)n1 1753928263 YEJZWLQIPKOSSE-CYBMUJFWSA-N 313.361 -0.029 30 20 DBED C#CCCNC[C@H](O)CNC(=O)Cc1nc(C2CC2)nn1C 1753937297 MSZYYERAYVCPGV-LBPRGKRZSA-N 305.382 -0.675 30 20 DBED Cc1nccc(C(=O)NC/C=C/CNCC(=O)NCC#N)n1 1754208191 YCNVMOHRQLSLHM-NSCUHMNNSA-N 302.338 -0.700 30 20 DBED N#CCNC(=O)CN1C[C@H]2C[C@H]1[C@H]2NC(=O)c1cncc(F)c1 1754421963 RSWZYVDHCFOHQS-OSMZGAPFSA-N 317.324 -0.337 30 20 DBED COCC#CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)c1cnn(C)c1OC 1754429980 BOVWKTVHFQWBAB-XBFCOCLRSA-N 318.377 -0.119 30 20 DBED C#CCNC(=O)CNC[C@]1(C)CCN(C(=O)CN(C)C(C)=O)C1 1754686221 BCBBZVFWBCCNGX-INIZCTEOSA-N 322.409 -0.958 30 20 DBED C=CCCN1CC[C@](O)(CNC(=O)CC2CS(=O)(=O)C2)C1 1754752727 OIADMJIAYYUMDM-AWEZNQCLSA-N 316.423 -0.450 30 20 DBED CC#CCN1CC[C@@](O)(CNC(=O)c2ccc(C(N)=O)nc2)C1 1754762468 QLQRSGHEGGMDIR-MRXNPFEDSA-N 316.361 -0.630 30 20 DBED C=CCNCCN(CCO)C(=O)c1cn(-c2cccnc2)nn1 1754884617 ZTKHAUMYHDOBPB-UHFFFAOYSA-N 316.365 -0.128 30 20 DBED C=CCCCN[C@@]1(CO)CCCN(C(=O)CCNC(N)=O)C1 1755091199 HTNRAUARQOUPSD-HNNXBMFYSA-N 312.414 -0.046 30 20 DBED CC1(NCC#N)CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)CC1 1755135148 ZLAWCRHFRQRXMC-JTQLQIEISA-N 300.384 -0.828 30 20 DBED C=CCN[C@H](CO)CNC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F 1755632873 ZAHACYYJTDWEHJ-AEJSXWLSSA-N 312.288 -0.415 30 20 DBED COCC#CCNC[C@@H](O)CN(C)C(=O)c1ncc(OC)cn1 1755783613 VTIUCLXIMJODDT-GFCCVEGCSA-N 322.365 -0.843 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H](CO)NC(=O)[C@@H]2C[C@H]2C)cn1 1756539184 ZBECEALDHUHPAD-DDTOSNHZSA-N 301.346 -0.074 30 20 DBED C=CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1801000325 FYBOLCQPDSGVPN-QHBPRCKVSA-N 306.318 -0.760 30 20 DBED N#CCC(=O)N1CCCC12CN(C(=O)c1ccnnc1O)C2 1842622386 IFFYDLAGJMTRHF-UHFFFAOYSA-N 301.306 -0.087 30 20 DBED C#CCNC(=O)CNS(=O)(=O)c1ccc(C(=O)OCC)cc1 45604183 JVENCHCBJSIAQK-UHFFFAOYSA-N 324.358 -0.109 30 20 DBED C/N=C(/NC[C@H]1CCOC1)N1CCN(c2cnn(C)c2)C(=O)C1 155853734 QLFJJOKTAMDMAJ-GFCCVEGCSA-N 320.397 -0.319 30 20 DBED C#CCN1CCN(C(=O)CN(C)C[C@@H]2CCN(C(C)=O)C2)CC1 156502990 KNHDWPDFDQLVSQ-INIZCTEOSA-N 320.437 -0.436 30 20 DBED CC[C@H](C#N)NC(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 266324962 XFVHDGNOMDDTOX-JKKYPKHBSA-N 305.334 -0.043 30 20 DBED COC(=O)[C@@H]1CN(c2c(C#N)c(=O)n(C)c(=O)n2C)C[C@H]1C 280218081 KRCSCHCEWDFGMM-PSASIEDQSA-N 306.322 -0.799 30 20 DBED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCCS(=O)(=O)NC 280975337 MACVRGHRTJADIS-GHMZBOCLSA-N 305.400 -0.184 30 20 DBED C=C(C)[C@@H](CC(=O)NCCC(=O)NS(C)(=O)=O)OCC 282344410 WKVFDASGHRAPIC-SNVBAGLBSA-N 306.384 -0.060 30 20 DBED C=C[C@H](CO)NC(=O)C(=O)Nc1ccc(C(=O)N(C)OC)cc1 290094877 PXTDRISJROCHHA-LLVKDONJSA-N 321.333 -0.078 30 20 DBED CO/N=C(/C(=O)NCCS(=O)(=O)N(C)C)c1ccco1 291709212 OWJJIEQBQWLWJB-JLHYYAGUSA-N 303.340 -0.362 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccc(C)nc2)C1=O 299486321 DUQKEHJXZGNECW-UHFFFAOYSA-N 316.317 -0.017 30 20 DBED C[C@@H](/C(O)=N/C1CC1)N1CCN(Cc2nc(=O)n(C)[nH]2)CC1 329621356 UIVNYEKMKMBTGB-JTQLQIEISA-N 308.386 -0.267 30 20 DBED CC/N=C(/O)CN1CCN(/C(O)=N/Cc2nnn(C)n2)CC1 330326244 VBYCLGRNAHTTNF-UHFFFAOYSA-N 310.362 -0.782 30 20 DBED CNC(=O)[C@@H]1CN([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CCO1 330802846 IFSOSTPXIFYTOW-HUBLWGQQSA-N 310.398 -0.124 30 20 DBED CNS(=O)(=O)c1ccc(C(=O)N2CCOC[C@@H]2C#N)cc1 330907842 SZEBECRCDIKOHP-NSHDSACASA-N 309.347 -0.041 30 20 DBED CCO[C@@H]1C[C@@](O)(CNC(=O)Cn2cnc(C#N)n2)C1(C)C 331475103 KRFQBWJYOKZPQL-QMTHXVAHSA-N 307.354 -0.168 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(C)CC[C@@H]2CCCO2)C1=O 342505821 SCSQVCRVBWHDQD-NSHDSACASA-N 323.349 -0.009 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N(C)CCNC(=O)N(C)C 352337771 KQABXUSAXJWDNL-NSHDSACASA-N 319.431 -0.084 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N(C)CCN1CCOCC1 410912949 VPVDRWNETJJZJO-UHFFFAOYSA-N 313.398 -0.562 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2C[C@@H](C)NC[C@H]2C)nn1 424547066 OEVCHTQPTIVFFK-GHMZBOCLSA-N 306.370 -0.711 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@H]2C[C@@]23CCOC3)CC1 491524910 OXPFEDXAVXEHCE-CZUORRHYSA-N 305.378 -0.693 30 20 DBED C#CCNC(=O)CN1CCN(CCCc2nc(C)no2)CC1 491555135 OZMRTTDJAUQBDV-UHFFFAOYSA-N 305.382 -0.322 30 20 DBED Cn1ncc2c1CCCN(c1c(C#N)c(=O)n(C)c(=O)n1C)C2 565226870 RKUFIOQNIILKSO-UHFFFAOYSA-N 314.349 -0.358 30 20 DBED COC(=O)[C@H](NC[C@H](O)COc1ccc(C#N)cc1)[C@@H](C)O 567873054 MIGIERFRHRMMRZ-SCDSUCTJSA-N 308.334 -0.190 30 20 DBED CC[C@H](C)[C@H](NC(=O)Cn1c(=O)[nH]cc(C#N)c1=O)C(=O)OC 583083791 GUCSVQNFOJAMGQ-KWQFWETISA-N 322.321 -0.888 30 20 DBED N#CCN1CCC(NC(=O)Cn2nc3n(c2=O)CCCC3)CC1 593054195 BSMJMGNZXQCDQZ-UHFFFAOYSA-N 318.381 -0.515 30 20 DBED CN(C)CCCN(CCC#N)C(=O)CCNS(C)(=O)=O 604564670 PVCUSQVNUCYAHK-UHFFFAOYSA-N 304.416 -0.380 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(C)CC2=CCCOC2)C1=O 618379558 PRXUJYFYNYNVRM-UHFFFAOYSA-N 321.333 -0.232 30 20 DBED C=C(C)COCCNC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1OC 660908355 YRJALKHFUVDARD-MNOVXSKESA-N 306.384 -0.310 30 20 DBED C=CCn1c(COC)nnc1N1CCN(S(C)(=O)=O)CC1 669808287 QEADRKFGQINJOT-UHFFFAOYSA-N 315.399 -0.308 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCCOC[C@H]2C)C1=O 676507937 LTGFEZGKKMOXGM-SNVBAGLBSA-N 309.322 -0.399 30 20 DBED Cc1cc(S(=O)(=O)N(C)CCS(N)(=O)=O)ccc1C#N 719713305 FSJRLTOJYLHNAX-UHFFFAOYSA-N 317.392 -0.224 30 20 DBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCc1cnc[nH]1 748321784 TZSKMUWZTOZPEM-UHFFFAOYSA-N 319.346 -0.235 30 20 DBED N#Cc1cc(O)cc(C(=O)OCC(=O)N2CCNC(=O)C2)c1 776280517 SLNCDKQFBISKDE-UHFFFAOYSA-N 303.274 -0.621 30 20 DBED C#CCn1cc(CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)cn1 791262985 RCXFTWIOQVOZOE-UHFFFAOYSA-N 315.289 -0.097 30 20 DBED NC(=O)c1ccccc1NCC(=O)N[C@H]1CCCN(O)C1=O 816757520 UUMPTNMJVURXCZ-NSHDSACASA-N 306.322 -0.306 30 20 DBED C#CCO[C@H](C)C(=O)NC1CCN([C@H]2CCN(C)C2=O)CC1 820632334 JNUOXAYXFJPUPS-OCCSQVGLSA-N 307.394 -0.164 30 20 DBED C#C[C@@H]1COCCN1C(=O)C(=O)N1CCC(C)(C(=O)O)CC1 843056524 PBUBBGUURIECKR-LLVKDONJSA-N 308.334 -0.440 30 20 DBED C[C@H](C(=O)N(C)CC(=O)N[C@H]1CNC[C@H]1C#N)n1cccn1 844194150 AHKYHTSYSAWKEG-UTUOFQBUSA-N 304.354 -0.870 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N1CCOC[C@@H]1CC(=O)O 844791152 GQZBBNPDNBFXOC-ZJUUUORDSA-N 305.356 -0.502 30 20 DBED CCONC(=O)CNC(=O)NCCNc1ncccc1C#N 845549797 LSQFVEHAESWACA-UHFFFAOYSA-N 306.326 -0.268 30 20 DBED C[C@](O)(Cn1ccccc1=O)C(=O)N[C@@H]1CCCN(O)C1=O 848134303 RGZXCALWLHSHKM-YGRLFVJLSA-N 309.322 -0.904 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)Nc1cc(OC)ncn1 850725548 SVRZHWGOZVQMSB-UHFFFAOYSA-N 306.322 -0.078 30 20 DBED C#CCCCNC(=O)C(=O)N1C[C@H](C(=O)OCC)C2(COC2)C1 875240260 RZNLLFGTBFONTE-GFCCVEGCSA-N 322.361 -0.446 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N1CCn2cnnc2[C@H]1C 875596811 UGWAYDHOYKQDFE-NEPJUHHUSA-N 319.365 -0.274 30 20 DBED C#CCN1CCC[C@@H](NC(=O)N[C@@H]2CCC(=O)N(C)C2=O)C1 884429095 XUXYFQLWSJFWPD-VXGBXAGGSA-N 306.366 -0.469 30 20 DBED C#CC1(O)CN(C(=O)c2ccnc3c(C(=O)OCC)cnn23)C1 890523414 YTFWSLBRLSOUBC-UHFFFAOYSA-N 314.301 -0.274 30 20 DBED C#CC[C@@H](CO)NC(=O)N[C@@H](CCSC)C(=O)N(C)OC 921517055 XUFJXLKRLVNEBG-QWRGUYRKSA-N 317.411 -0.189 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2CC[C@@H](CCN)C2)C1=O 926357353 ONVJREFFFACGGG-CHWSQXEVSA-N 322.409 -0.571 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)Cn3nccn3)C2)cn1 938014322 JSUJBAJHEFRMTH-AWEZNQCLSA-N 324.344 -0.315 30 20 DBED N#Cc1c[nH]c(C(=O)N2CCN(C3CN(CCO)C3)CC2)c1 941365808 GORZCXDGMPGIEH-UHFFFAOYSA-N 303.366 -0.679 30 20 DBED CO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1NC(=O)c1cc(C)ncn1 941552673 MQXIGRCOZGYITJ-OASPWFOLSA-N 317.349 -0.100 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H]1CNC(=O)[C@H]1CCC(=O)N1C 944253251 NWYBDBZIESEJCU-IJLUTSLNSA-N 306.366 -0.126 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2cn(C)c(=O)nc2O)[C@H](C)C1 944904976 AKQQGNWYQQOJQU-YPMHNXCESA-N 318.377 -0.051 30 20 DBED N#Cc1ccc(C(=O)NC[C@H]2CCCC[C@@H]2NC(=O)C(N)=O)[nH]1 946427795 IXZGYNNVPNEPNP-KOLCDFICSA-N 317.349 -0.224 30 20 DBED O=C(CN1CCOCC1)N[C@@H]1[C@H]2C[C@H]1N(C(=O)C#CC1CC1)C2 946955101 GSKOGCKSERSMJZ-JJRVBVJISA-N 317.389 -0.553 30 20 DBED CC#CCN1CC[C@@H](NC(=O)Cn2ccc(O)nc2=O)C[C@H]1C 947510150 JBWSXYOKVNLPSA-CHWSQXEVSA-N 318.377 -0.059 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2nccnc2C(N)=O)C[C@H]1C 948018067 ZEYQNUYTENHUDH-GHMZBOCLSA-N 301.350 -0.209 30 20 DBED C[C@H](C#N)C(=O)N1CCC(NC(=O)C[C@H]2CC(=O)NC2=O)CC1 948109652 JLHDSBKGSWPYBV-ZJUUUORDSA-N 320.349 -0.694 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CNC(=O)c2c[nH]c(=O)cn2)CC1 949394284 PAKSKRJCLJJNKE-JTQLQIEISA-N 317.349 -0.102 30 20 DBED C[C@@]1(C(=O)N2CCC3(CC2)CN(CC#N)CCO3)CCNC1=O 949471065 PPQNCQBZVUHVGE-OAHLLOKOSA-N 320.393 -0.270 30 20 DBED C#CCN1CCOC2(CCN(C(=O)Cc3nc[nH]n3)CC2)C1 949509079 KPBBHUHLFMSJGM-UHFFFAOYSA-N 303.366 -0.326 30 20 DBED C=CCn1cc(C(=O)N2CCN(Cc3cnnn3C)CC2)nn1 951559768 MMLPLYRMPWMFGR-UHFFFAOYSA-N 316.369 -0.449 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H](NC(=O)c2cc(=O)n(C)o2)C1 951867391 FZFAITUWNQDFCH-UWVGGRQHSA-N 306.322 -0.141 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@@H]1CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 952140945 QLGJZJVHFJZSSZ-GRYCIOLGSA-N 323.393 -0.051 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@H]3CCN(C(=O)C(N)=O)C[C@@H]32)[nH]1 953450432 TUMKUQNJXVRSER-SKDRFNHKSA-N 315.333 -0.565 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)CC(N)=O 955936942 QBBOWUSKRBJVEQ-STQMWFEESA-N 320.393 -0.933 30 20 DBED CC1(NC(=O)c2ccc(C#N)[nH]2)CCN(C(=O)C(N)=O)CC1 956340595 INXWYDOXYGUNDT-UHFFFAOYSA-N 303.322 -0.517 30 20 DBED Cn1nc(C2CC2)cc1C(=O)NC[C@@H]1CN(CC#N)C[C@@H]1O 958111704 OYUDGIWWIMTHDV-RISCZKNCSA-N 303.366 -0.156 30 20 DBED N#CCN1C[C@H](O)[C@H](CNC(=O)c2cccc3ncnn23)C1 958224871 YWAYYFPESSSWFY-PWSUYJOCSA-N 300.322 -0.725 30 20 DBED CC#CCN1C[C@H](O)[C@H](CNC(=O)c2ccn3nnnc3c2)C1 958320975 SCEUZUKWGTZECO-OLZOCXBDSA-N 314.349 -0.830 30 20 DBED C=CCN1C[C@H](CNC(=O)c2c(OC)ncnc2OC)[C@@H](O)C1 958759195 WCCWPVKJEOSUNY-QWRGUYRKSA-N 322.365 -0.298 30 20 DBED N#CCN1C[C@H]2[C@H](NC(=O)c3ccccc3OCC(N)=O)[C@H]2C1 960932002 QGUCMKHXMBDKEO-JYAVWHMHSA-N 314.345 -0.266 30 20 DBED C#Cc1ccc(C(=O)N2CCC[C@H](NC(=O)C(N)=O)CC2)nc1 965144747 XYWHOMKNMHSUKE-LBPRGKRZSA-N 314.345 -0.341 30 20 DBED Cc1nc[nH]c1C(=O)N[C@H]1COC2(C1)CN(C(=O)[C@H](C)C#N)C2 965744651 RXNZGZYQDJBGOA-MWLCHTKSSA-N 317.349 -0.023 30 20 DBED CCN(C(=O)c1ccc(C#N)[nH]1)C1CN(C(=O)CC(N)=O)C1 967883716 FQKJYVDHHZBDHH-UHFFFAOYSA-N 303.322 -0.565 30 20 DBED CCc1cnc(CC(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)[nH]1 968362577 MQCVZYPCWZHSDG-WCQGTBRESA-N 319.365 -0.638 30 20 DBED C#CCN1CCCCC[C@@H]1CNC(=O)[C@@H]1CC(=O)NC(=O)N1 969054580 UTBZCXCXKDPMPC-NEPJUHHUSA-N 306.366 -0.422 30 20 DBED C=CCN1CC([C@H](C)NC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 970195258 OJSHFEPILZKXJN-GWCFXTLKSA-N 303.366 -0.012 30 20 DBED N#CCN[C@@H]1CCN(C(=O)c2cn(C[C@@H]3CCOC3)nn2)C1 970359795 GIUDPZDRTDNOFH-NWDGAFQWSA-N 304.354 -0.358 30 20 DBED C=CCN1CCO[C@@]2(CCN(C(=O)CN3CCCNC3=O)C2)C1 972449408 KCSZYYFUFCEGPU-INIZCTEOSA-N 322.409 -0.109 30 20 DBED N#CCN1CCO[C@@]2(CCN(C(=O)C[C@@H]3CCCC(=O)N3)C2)C1 972458794 NRRUMFRAXXPWDL-BBRMVZONSA-N 320.393 -0.128 30 20 DBED CCn1cc(C(=O)N2CC[C@]3(CN(CC#N)CCO3)C2)nn1 972617312 NZSFMKANSGVORD-AWEZNQCLSA-N 304.354 -0.262 30 20 DBED CC#CCN1CCO[C@]2(CCN(C(=O)Cc3nc[nH]n3)C2)C1 972632829 WAMXLDPWQZNZHN-OAHLLOKOSA-N 303.366 -0.326 30 20 DBED CNC(=O)c1ccc(C(=O)NC[C@H]2[C@@H]3CN(CC#N)C[C@H]23)cn1 978998112 XXCQWGDCIIHUKN-XYYAHUGASA-N 313.361 -0.128 30 20 DBED C#CCN1C[C@H]2C[C@H](NC(=O)c3nnc(O)nc3O)CC[C@H]2C1 980138537 FEXPULCFEQDSLX-HBNTYKKESA-N 317.349 -0.254 30 20 DBED CN(CC#N)[C@H]1CCN(C(=O)C[C@]2(C)CCS(=O)(=O)N2)C1 980265319 SXBLCWTTXCAEIS-AAEUAGOBSA-N 314.411 -0.485 30 20 DBED C[C@@H](C#N)C(=O)N1CCCN(CCCN2C(=O)CNC2=O)CC1 980849053 GWNCGDJINGMEKV-LBPRGKRZSA-N 321.381 -0.378 30 20 DBED COCCn1cc(C(=O)N2CCC(N(C)CC#N)CC2)nn1 985433778 OHULHZUJDRGNSD-UHFFFAOYSA-N 306.370 -0.016 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)CN2CCOCC2=O)[C@H]1C 988636588 QCHWIRHHHVAUSL-TUAOUCFPSA-N 322.365 -0.890 30 20 DBED Cc1c(C(=O)N2CC(NC(=O)c3cc(C#N)c[nH]3)C2)nnn1C 990696879 WFYXVCJUXNJSCP-UHFFFAOYSA-N 313.321 -0.422 30 20 DBED C[C@H](C#N)C(=O)N1CC(NC(=O)c2cnn(CCN(C)C)c2)C1 992014363 CDLXKYKJFBHEIC-LLVKDONJSA-N 318.381 -0.455 30 20 DBED CC#CCN1CCC[C@H](NC(=O)CN2CCN(C)C(=O)C2)[C@H]1C 993517910 GVCQTSKOGPSPNS-CABCVRRESA-N 320.437 -0.247 30 20 DBED NC(=O)c1cccc(C(=O)NC2CN(C(=O)C#CC3CC3)C2)n1 994325130 SFQNKDSAXHIPAN-UHFFFAOYSA-N 312.329 -0.466 30 20 DBED CC#CCN1CCC[C@H](NC(=O)CN2C(=O)CN(C)C2=O)[C@@H]1C 994370254 ZYSIMBPBSALMGO-STQMWFEESA-N 320.393 -0.127 30 20 DBED C[C@H](C#N)C(=O)N1CC(NC(=O)[C@@H]2CCn3cncc3C2)C1 994549172 NJNNZSOTXMZDFS-GHMZBOCLSA-N 301.350 -0.068 30 20 DBED C#CCNC1CCN(C(=O)[C@H]2CCc3nnc(O)n3C2)CC1 996746221 UNESRYRUVSMXPV-NSHDSACASA-N 303.366 -0.240 30 20 DBED Cn1ncc(C(=O)N2CC(CNC(=O)c3ccc(C#N)[nH]3)C2)n1 1001478025 NNBJAESBXVBPJL-UHFFFAOYSA-N 313.321 -0.483 30 20 DBED C[C@H]1CCN(C(=O)CC(N)=O)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 1004736426 PIGKZSWDSVRHAF-JOYOIKCWSA-N 317.349 -0.271 30 20 DBED C=C(Br)CN1CC[C@H](NC(=O)c2nnn(C)n2)C1 1015551771 WCLLSTAYLZLNFF-QMMMGPOBSA-N 315.175 -0.077 30 20 DBED Cn1cnn(CC(=O)N[C@H]2CC23CCN(CC#N)CC3)c1=O 1016700031 MXNOIYPORRIHFN-NSHDSACASA-N 304.354 -0.924 30 20 DBED C=C(Cl)CN[C@H]1C[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 1020174718 NZUCPZFDLNGQTC-KYZUINATSA-N 312.761 -0.634 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCCO3)C[C@H]2O)c1 1023326842 BRYARZLFMWZCRR-JHJVBQTASA-N 318.333 -0.633 30 20 DBED N#CCN1CCC[C@@H](CNC(=O)c2nccnc2C(N)=O)C1 1023739262 OQGMPUASEDJBOY-JTQLQIEISA-N 302.338 -0.459 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C(C)(F)F)C[C@H]1O 1025709571 QLVQINUNUMFUIG-DBIOUOCHSA-N 318.320 -0.079 30 20 DBED C=CCN[C@@H]1CC[C@@H]2CN(C(=O)Cn3ccc(O)nc3=O)C[C@H]21 1026305794 DBFQQKPLVVCDIN-JHJVBQTASA-N 318.377 -0.039 30 20 DBED CC(=O)N1CCO[C@@H](C(=O)N2C[C@@H]3CC[C@H](C2)N3CC#N)C1 1029569839 HJGZMHCIOSSPPD-HZSPNIEDSA-N 306.366 -0.568 30 20 DBED C=CCN1[C@H]2CC[C@H]1CN(C(=O)c1cn(C)c(=O)nc1O)C2 1029582480 SUPDEGVTFIZHRM-QWRGUYRKSA-N 304.350 -0.039 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)c3ccn(C)n3)C2)C1=O 1031387970 DASUUOFQDSUXNW-ZDUSSCGKSA-N 303.366 -0.379 30 20 DBED C#Cc1ccc(C(=O)NCC2CN(Cc3nnn(C)n3)C2)nc1 1032135383 SCYWTOBKXZSYRB-UHFFFAOYSA-N 311.349 -0.552 30 20 DBED N#CCN1CCCC[C@@H](NC(=O)CN2CCCS2(=O)=O)C1 1034241695 ZTQPQEDOOYZVKO-GFCCVEGCSA-N 314.411 -0.484 30 20 DBED CC#CCN1CCO[C@H](CNC(=O)c2cc(C(N)=O)cn2C)C1 1035433320 DUNIARFZTFOACN-CYBMUJFWSA-N 318.377 -0.422 30 20 DBED C#Cc1cncc(C(=O)NC[C@H]2CN(C[C@@H](C)O)CCO2)c1 1035504176 CLIKRGLAOOOLAP-DOMZBBRYSA-N 303.362 -0.126 30 20 DBED N#CCNC1C[C@@H]2CCC[C@H](C1)N2C(=O)CN1C(=O)CNC1=O 1039311137 IMVKHRZRPASZDL-YOGCLGLASA-N 319.365 -0.437 30 20 DBED CC(C)C#CC(=O)NC[C@]1(O)CCN(C(=O)Cc2ccon2)C1 1039664661 VGNXQMNMGBQZHC-MRXNPFEDSA-N 319.361 -0.044 30 20 DBED N#Cc1nc(=NC[C@H]2C[C@H]3CC[C@H]2N(C(=O)C(N)=O)C3)cc[nH]1 1040020263 FYSQBTBCSDBCAM-GMTAPVOTSA-N 314.349 -0.706 30 20 DBED Cn1cc(C(=O)N2CC[C@H]3CN(c4ccnc(C#N)n4)C[C@H]32)nn1 1040604072 ZZELLDBWCMOXEG-CMPLNLGQSA-N 324.348 -0.172 30 20 DBED Cc1nc[nH]c1C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1O 1041086805 DHRUWRWZSKVPIZ-GHMZBOCLSA-N 313.321 -0.641 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC(O)(CNC(=O)CC3CC3)C2)c1 1041122469 VBCUGSYTPAJSNC-UHFFFAOYSA-N 302.334 -0.010 30 20 DBED CC#CCCCC(=O)N1CC(O)(CNC(=O)c2cc[nH]n2)C1 1041612940 PEJQSUHMQCFPKY-UHFFFAOYSA-N 304.350 -0.094 30 20 DBED C=CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)CCOCC)C1 1042009077 FVCNSVDERBYHFE-GFCCVEGCSA-N 314.382 -0.306 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)C[C@@H](C)COC)C1 1042047439 QRHIAAUXIJPYRN-GFCCVEGCSA-N 314.382 -0.449 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)C2(NC(N)=O)CC2)C1 1042652113 OQJBCZZLRJHLII-UHFFFAOYSA-N 324.381 -0.911 30 20 DBED C#CCCCCC(=O)NCC1(O)CN(C(=O)Cn2nccn2)C1 1042658775 QTLDFQAGUUNWHK-UHFFFAOYSA-N 319.365 -0.839 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(O)CN(C(=O)COC(C)C)C1 1042806605 IHTATGQAZYXIEH-CQSZACIVSA-N 314.382 -0.572 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(O)CN(C(=O)c2cncnc2)C1 1042807152 OSJRSKHCDGYIGP-CQSZACIVSA-N 320.349 -0.893 30 20 DBED Cc1ccnn1CC(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1043082102 IZOQSTYFNWILFQ-UHFFFAOYSA-N 316.361 -0.706 30 20 DBED C[C@@H]1CN(C(=O)[C@H]2COC(=O)N2)C[C@H]1N=c1cc[nH]c(C#N)n1 1043154912 KFEBEAFEOLULKG-OPRDCNLKSA-N 316.321 -0.863 30 20 DBED C=C[C@H](C)[C@@H](C)C(=O)N1CC(O)(CNC(=O)Cn2nccn2)C1 1043214049 WPXQITHAUGHENB-NWDGAFQWSA-N 321.381 -0.574 30 20 DBED Cc1c(CC(=O)NCC2(O)CN(C(=O)[C@H](C)C#N)C2)cnn1C 1043342910 LOZQKOJYTDFGCE-SNVBAGLBSA-N 319.365 -0.880 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]3C=C[C@H]2O3)C1 1043617046 HTCDGYHWRMATFX-JHJVBQTASA-N 322.361 -0.778 30 20 DBED Cn1ncc(C(=O)NCC2(O)CN(C(=O)C#CC(C)(C)C)C2)n1 1043881763 YGMCUDPOMAIBPI-UHFFFAOYSA-N 319.365 -0.832 30 20 DBED O=C(CCn1ccnc1)NCC1(O)CN(C(=O)C#CC2CC2)C1 1044138128 YDZYTZZMEQDPPH-UHFFFAOYSA-N 316.361 -0.624 30 20 DBED CC#CCCCC(=O)NCC1(O)CN(C(=O)[C@H](C)CC(N)=O)C1 1045007210 QEMPFFPILXPVGV-GFCCVEGCSA-N 323.393 -0.619 30 20 DBED Cc1ccc(C(=O)N2CC(O)(CNC(=O)[C@@H](C)C#N)C2)n1C 1045541084 QLJMONNJUMVIOH-JTQLQIEISA-N 304.350 -0.204 30 20 DBED C[C@]1(NC(=O)c2cc(C#N)c[nH]2)CCN([C@@H]2CCNC2=O)C1 1046224731 UVFQJSVTTHEVTB-DOMZBBRYSA-N 301.350 -0.031 30 20 DBED C[C@]1(NC(=O)c2c[nH]c(C#N)c2)CCN([C@H]2CCNC2=O)C1 1046252711 HKENQVBNYTWPCA-WFASDCNBSA-N 301.350 -0.031 30 20 DBED N#CCN1C[C@H]2C[C@H](NC(=O)C3CC(=O)NC(=O)C3)C[C@H]1C2 1047161893 QUIPLQZSGLNSCY-ZMLRMANQSA-N 304.350 -0.468 30 20 DBED CNC(=O)[C@H](C)N1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C#N)[nH]2)C1 1047353819 MQXGGJIMZFCXKD-XDTLVQLUSA-N 319.365 -0.862 30 20 DBED CCC(=O)N1CCC[C@H](C(=O)N(C)[C@H]2CN(CC#N)C[C@@H]2O)C1 1047393202 ZKGFEEWJWQLGQX-IHRRRGAJSA-N 322.409 -0.338 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)N2C(=O)CCC2=O)C1 1047400790 JQBUHPOKCLFCEM-AGIUHOORSA-N 321.377 -0.949 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2cnc(OC)nc2)C1 1047585724 KJVNSRWJVANTSW-STQMWFEESA-N 304.350 -0.374 30 20 DBED C#CCCCC(=O)N(C)[C@H]1CN(C(=O)[C@H]2COCCO2)C[C@@H]1O 1048750147 LZXOQSZSWHSVEY-MELADBBJSA-N 324.377 -0.765 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H]2CN(Cc3nnnn3C)C[C@H]21 1049998605 JAIFWWVSAOSAHL-GRYCIOLGSA-N 303.370 -0.207 30 20 DBED C=CCN1C[C@@H]2CCCN(C(=O)Cn3c(O)nnc3O)[C@@H]2C1 1050192104 VRXMLESWJVDRIS-WDEREUQCSA-N 307.354 -0.202 30 20 DBED COc1ccnc(O)c1C(=O)NC[C@H]1COCCN1CC#N 1051210849 OCRFAGNSKXDAOI-JTQLQIEISA-N 306.322 -0.250 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)c1cnc(OCC)cn1 1051272503 FSDLWLZGCZVTMU-LBPRGKRZSA-N 304.350 -0.061 30 20 DBED CNC(=O)CN1CCN([C@H]2CCN(C(=O)[C@H](C)C#N)C2)CC1 1051998021 MRFQJVUBFOWBLZ-OLZOCXBDSA-N 307.398 -0.889 30 20 DBED C=CCN1CCN([C@@H]2CCN(C(=O)[C@]3(C)CNC(=O)C3)C2)CC1 1052056697 HAVFLMUGNJPPPS-PBHICJAKSA-N 320.437 -0.083 30 20 DBED C=CCn1cc(C(=O)N2C[C@@H](C)[C@@H](CNC(=O)COC)C2)nn1 1052620351 YPCVZUAVQHMSLG-NEPJUHHUSA-N 321.381 -0.065 30 20 DBED C=C(C)CCN1CC2(C1)CN(C(=O)[C@H]1C[C@H]1C(N)=O)CCO2 1053433996 UEPWLQPCZDIQBO-OLZOCXBDSA-N 307.394 -0.013 30 20 DBED C#CCN1CC2(C1)CN(C(=O)[C@H]1CCN(C(=O)CC)C1)CCO2 1053499348 ZCCYHHQCPKSPCJ-AWEZNQCLSA-N 319.405 -0.209 30 20 DBED N#Cc1cc(C(=O)N2CCN(c3ccc4nnnn4n3)CC2)c[nH]1 1055751352 XBRJYYVKXZYIQF-UHFFFAOYSA-N 323.320 -0.319 30 20 DBED N#Cc1cccnc1N1CCN(C(=O)c2c[nH]c(=O)cn2)CC1 1055989802 GGLHWOLDXDYEET-UHFFFAOYSA-N 310.317 -0.001 30 20 DBED C[C@]1(C(=O)N2CCN(c3ccnc(C#N)n3)CC2)CCNC1=O 1056018567 FZHVGSKXLKCCOH-HNNXBMFYSA-N 314.349 -0.477 30 20 DBED C[C@@]1(C(=O)N2CCN(c3ccnc(C#N)n3)CC2)CCNC1=O 1056018568 FZHVGSKXLKCCOH-OAHLLOKOSA-N 314.349 -0.477 30 20 DBED Cc1n[nH]cc1C(=O)N[C@@]1(CO)CCCN(C(=O)[C@@H](C)C#N)C1 1056033944 RHWNBRLMQJHWAY-BONVTDFDSA-N 319.365 -0.039 30 20 DBED N#Cc1nccnc1N1C[C@H]2C(NC(=O)[C@H]3CCC(=O)N3)[C@@H]2C1 1056146446 HAKVFCKVOZGUES-OPRDCNLKSA-N 312.333 -0.822 30 20 DBED CN1CC[C@H](C(=O)N[C@H]2[C@@H]3CN(c4ccnc(C#N)n4)C[C@@H]32)C1 1056229504 XZBMWCNTXOJIAJ-UUIJZJDISA-N 312.377 -0.149 30 20 DBED N#Cc1nccnc1N1CCCN(C(=O)C2(C(N)=O)CC2)CC1 1057222542 XBDOOGQGDWUAKA-UHFFFAOYSA-N 314.349 -0.348 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)CC(=O)N(C)C 1057524302 BGEJRTZUEMKFRU-UHFFFAOYSA-N 311.382 -0.939 30 20 DBED C[C@@H]1CO[C@H](C(=O)NCCN(CCO)C(=O)C#CC2CC2)C1 1057533561 RNDBJSFAMZFXRY-JSGCOSHPSA-N 308.378 -0.238 30 20 DBED C#CCOCCC(=O)N(CCO)CCNC(=O)c1ncoc1C 1057581544 UBXQSIVZFDIXCV-UHFFFAOYSA-N 323.349 -0.426 30 20 DBED N#Cc1cncc(N2CCC(NC(=O)[C@@H]3CCNC3=O)CC2)n1 1057924999 MDLIRJAVWKGRHO-GFCCVEGCSA-N 314.349 -0.431 30 20 DBED N#Cc1cnc(N2CCC[C@@H](NC(=O)Cn3cncn3)C2)cn1 1058160332 RIZLJZJMRZVTKN-LLVKDONJSA-N 312.337 -0.275 30 20 DBED Cn1c(C(=O)N[C@@H]2CCN(c3cnc(C#N)cn3)C2)cnc1O 1058507216 ARKGJDFRIKUJGI-SECBINFHSA-N 313.321 -0.204 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)COc1cccnc1 1058652605 BBMGFQGYYBAMOC-LBPRGKRZSA-N 320.349 -0.443 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)CCc1cnccn1 1058657001 OIUIOKYYQISZDG-LBPRGKRZSA-N 319.365 -0.494 30 20 DBED COc1cc(C(=O)NCCN(CCO)C(=O)[C@H](C)C#N)ncn1 1058657031 OUNXNMHQBOPZQG-SNVBAGLBSA-N 321.337 -0.804 30 20 DBED COc1ccc(C(=O)N(CCO)CCNC(=O)[C@H](C)C#N)nn1 1058813767 BBSVRAQCVZZALE-SNVBAGLBSA-N 321.337 -0.804 30 20 DBED CN1CCO[C@@H](C(=O)N[C@H]2C[C@@H](N=c3cc[nH]c(C#N)n3)C2)C1 1059587166 JGXGVBDGFVOPJF-GRYCIOLGSA-N 316.365 -0.840 30 20 DBED C=CCOCC(=O)N1CCOC[C@H]1CNC(=O)C[C@H](C)OC 1061405470 CTGKUHPOSTULSW-QWHCGFSZSA-N 314.382 -0.042 30 20 DBED C#CCCCC(=O)NC[C@@H]1COCCN1C(=O)c1cnn[nH]1 1061534409 NMGZTDPSMXPBSB-LLVKDONJSA-N 305.338 -0.435 30 20 DBED C=CCC(CC=C)C(=O)NC[C@@H]1COCCN1C(=O)C(N)=O 1061611816 PLKALROIKKNRII-GFCCVEGCSA-N 309.366 -0.416 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)COCC(F)F 1061854453 ZSQXYLZULVOKQX-NXEZZACHSA-N 319.308 -0.229 30 20 DBED C#CCNC(=O)CC(=O)NC1(CNC(=O)[C@@H]2C[C@H]2C)CCC1 1062436238 UTXTXWNYNZIRPW-VXGBXAGGSA-N 305.378 -0.063 30 20 DBED CC(C)C#CC(=O)NCC1(NC(=O)[C@@H]2CN(C)C(=O)N2)CCC1 1062964606 GIIKGKOEALYDAV-LBPRGKRZSA-N 320.393 -0.176 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(NC(=O)c2cnn(C)n2)CCC1 1063042020 LCABPIJRELKFJI-LLVKDONJSA-N 319.365 -0.378 30 20 DBED N#Cc1ccc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)Cn2cncn2)cn1 1064257044 OJHGIQHAUDEHCF-DGFSRKRXSA-N 309.333 -0.062 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)CCCN(C)C)C1 1065556298 GGZWVMACQAZOOM-STQMWFEESA-N 310.398 -0.169 30 20 DBED N#Cc1ccc(N2C[C@H](CNC(=O)c3cnco3)[C@@H](O)C2)nn1 1067688330 DQWLXIPZZKCVMQ-ONGXEEELSA-N 314.305 -0.437 30 20 DBED C[C@H]1CCN(c2ncc(C#N)cc2F)C[C@@H]1NC(=O)C(N)=O 1067988929 IPBRILJIAPCOCT-KWQFWETISA-N 305.313 -0.091 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H]1C[C@H](NC(=O)[C@H]2COC(=O)N2)C1 1068481096 DFJRVORKSAZCAF-IRUJWGPZSA-N 315.333 -0.210 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CCC2(CN(C(=O)c3cnn[nH]3)C2)O1 1068619878 DBUCNLDMJPJYPN-NXEZZACHSA-N 318.337 -0.546 30 20 DBED C#CCNC(=O)CC(=O)N1CC2(C[C@@H](NC(=O)C3CC3)CO2)C1 1068641632 FMDRZDVGBKHDCG-GFCCVEGCSA-N 319.361 -0.978 30 20 DBED C=CCCC(=O)N[C@@H]1COC2(C1)CN(C(=O)[C@@H]1CNC(=O)N1)C2 1068757210 OUNCRMKEGCIZJB-QWRGUYRKSA-N 322.365 -0.880 30 20 DBED C[C@@H]1C[C@@H](Nc2ccc(C#N)nn2)CN1C(=O)Cn1ncnn1 1069151600 HNIFVNCAGJXSOC-MWLCHTKSSA-N 313.325 -0.564 30 20 DBED N#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2ccsn2)C1 1069954612 MHJBPXSEFHWFCD-MNOVXSKESA-N 303.351 -0.087 30 20 DBED CC(C)[C@@H](O)C(=O)NCC1(NC(=O)[C@@H](C)C#N)CCOCC1 1070232597 MSOGXKKJXNJJNC-NWDGAFQWSA-N 311.382 -0.055 30 20 DBED C=CCN[C@@H]1CN(C(=O)Cc2ncc[nH]2)C[C@@H]1n1ccnn1 1070303197 PWKBSEGKBYXFDD-NEPJUHHUSA-N 301.354 -0.229 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1c1cncn1C 1070643953 OLPARMBJDSNBIS-VXGBXAGGSA-N 313.365 -0.620 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)[C@@H]4CCNC4=O)C[C@@]3(C1)O2 1070836093 PFRKEXUJDHURIF-VPWBDBDCSA-N 303.362 -0.943 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)CCn2cncn2)CC1 1070940643 PINOBYDNWVEWJR-UHFFFAOYSA-N 320.397 -0.495 30 20 DBED N#CCN[C@@H]1CCO[C@H]1C1CCN(C(=O)Cn2cnnn2)CC1 1071036516 TVMFBRXUZSPERH-OCCSQVGLSA-N 319.369 -0.818 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CCCN(C(=O)Cn2cncn2)C1 1071372401 JCHOVHMDLXPDAN-CHWSQXEVSA-N 319.365 -0.576 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(C(=O)CC(=O)NCC#C)C[C@H]1C 1071935322 ADVNJUIAPMWZCE-ZIAGYGMSSA-N 317.389 -0.108 30 20 DBED C[C@@H]1CN(C(=O)Cn2cnnc2O)C[C@H]1NC(=O)C#CC1CC1 1071942463 HSQYEFOZJFXRGI-ZYHUDNBSSA-N 317.349 -0.640 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC2(CCN([C@H](C)C(N)=O)C2)C1 1072823041 ZWGSDSRTKXOJCB-KGLIPLIRSA-N 318.421 -0.508 30 20 DBED C#CCNC(=O)CC(=O)N1CCC(O)(CNC(=O)CC)CC1 1074556094 VXDLFGITBOGRAY-UHFFFAOYSA-N 309.366 -0.994 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H](N[C@@H](CC)C(N)=O)[C@@H]2C)nn1 1074949517 DKEKUJQYCHPFID-SRVKXCTJSA-N 320.397 -0.079 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)[C@H]1OCC[C@H]1C 1076217799 IXVGEAIRHIYOMS-XUJVJEKNSA-N 323.393 -0.438 30 20 DBED C#CCCN1C[C@@H]2CCN(C(=O)c3cn(C)c(=O)n3C)[C@@H]2C1 1076615119 KGASAQWYYXOISF-QWHCGFSZSA-N 302.378 -0.107 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCN(C)C(=O)C2)C1 1077245023 HVFMEROSPQBJJE-MGPQQGTHSA-N 309.410 -0.018 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2COCCN2CC)C1 1077267889 HWETYCKPNVMSOL-FRRDWIJNSA-N 317.817 -0.379 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H](C)CCNC(=O)C1(C(N)=O)CC1 1078114263 XVMOSNNURJKWQV-QWRGUYRKSA-N 311.382 -0.146 30 20 DBED C#CCOCCC(=O)N[C@@H](C)CCNC(=O)[C@@H](COC)OC 1078262023 FWLJFCDUPXIWBO-QWHCGFSZSA-N 314.382 -0.301 30 20 DBED C=CCCO[C@H](C)C(=O)N1CC(N(CC)C(=O)CC(N)=O)C1 1079536168 XUKOZTNHOZKYBI-LLVKDONJSA-N 311.382 -0.098 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(C(=O)C2=COCCO2)C[C@H]1O 1081468803 OOYVRTGMTQFYRT-QWHCGFSZSA-N 320.345 -0.777 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@@H]1CCc2nc(C)nn2C1 1081975202 UGSMSCGGILYSGQ-JHJVBQTASA-N 318.381 -0.512 30 20 DBED CC#CCN1C[C@@H](NC(=O)c2cnn(C)c2OC)[C@H](OC)C1 1082346296 AKAYVLHOGQCKSN-CHWSQXEVSA-N 306.366 -0.119 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2cn(CCOC)nc2C)C1 1083458249 FDOBFAMLWYRGOA-KGLIPLIRSA-N 306.366 -0.754 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)c2c(OC)ccnc2O)C1 1083959188 KLYOISRCNDXZTE-MNOVXSKESA-N 305.334 -0.406 30 20 DBED O=C(C#CC1CC1)N1C[C@H]2CCN(Cc3nc(O)n[nH]3)C[C@H]21 1084334242 VUQCZCNPCNRWAW-VXGBXAGGSA-N 301.350 -0.044 30 20 DBED CCNC(=O)CC(=O)N1CC[C@H](N=c2cc[nH]c(C#N)n2)[C@@H]1C 1090214100 BMEMBSJIYCGEQI-QWRGUYRKSA-N 316.365 -0.302 30 20 DBED CNC(=O)NCC(=O)N1CC[C@H](Nc2nccnc2C#N)[C@@H]1C 1090245746 CSHNATBDWKHGJL-UWVGGRQHSA-N 317.353 -0.321 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2ccnn2CCOC)[C@@H](O)C1 1090348842 GIAVUOMGNFMUFB-HIFRSBDPSA-N 320.393 -0.282 30 20 DBED CC(=O)N[C@H](C)C(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@H]1O 1090368758 KNUMEDUENQBXBS-OASPWFOLSA-N 317.349 -0.856 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(c2cc(F)ncn2)C[C@H]1O 1090488372 HVAVCDYXEHTKRA-HBNTYKKESA-N 308.313 -0.680 30 20 DBED C[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1NC(=O)CS(C)(=O)=O 1090662396 GJAWEYILOOSZSA-ZWNOBZJWSA-N 322.390 -0.061 30 20 DBED CC(=O)N[C@@H](C)C(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@@H]1O 1091064483 KNUMEDUENQBXBS-BIMULSAOSA-N 317.349 -0.856 30 20 DBED Cc1nc(N(C)CCOCCN(C)C(=O)C(N)=O)ccc1C#N 1091901337 RIWCNFZDXDCFFI-UHFFFAOYSA-N 319.365 -0.342 30 20 DBED CC1(C)CC[C@H](CNC(=O)C(N)=O)N(c2cnc(C#N)cn2)C1 1092120762 GTYVWEUOQIYECD-LLVKDONJSA-N 316.365 -0.055 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)c3nccnc3N)c3nccn32)C1 1092355319 BDEYZYLYNWGYSJ-JTQLQIEISA-N 324.348 -0.335 30 20 DBED C[C@]1(CNC(=O)C(N)=O)CN(c2ccncc2C#N)CCO1 1092775360 WHLYJIWUDCHSRW-AWEZNQCLSA-N 303.322 -0.850 30 20 DBED C=CCN1C[C@@H](C)[C@H](CNC(=O)C2CC3(C2)NC(=O)NC3=O)C1 1093040339 NGUMJWHQVLBOGF-QZCIIZHISA-N 320.393 -0.155 30 20 DBED N#Cc1cncc(N2C[C@@H]3C(NC(=O)CCn4cncn4)[C@H]3C2)n1 1093232130 NRFCNGQKLWCKDV-RYUDHWBXSA-N 324.348 -0.419 30 20 DBED COCCOCC(=O)NC1[C@@H]2CN(c3cnc(C#N)cn3)C[C@@H]12 1093255395 XSESCPIGPOLBIO-VXGBXAGGSA-N 317.349 -0.438 30 20 DBED CC(C)(F)C(=O)N1CCN(CC#N)[C@H]2CS(=O)(=O)C[C@H]21 1094598384 GITMFOFPBJRGHL-VHSXEESVSA-N 303.359 -0.432 30 20 DBED Cc1cc(=NCCCNC(=O)Cn2ncnn2)c(C#N)c[nH]1 1094599716 URDKQHVMNORDRK-UHFFFAOYSA-N 300.326 -0.712 30 20 DBED CC#CCN1CC(N2C[C@H](NC(=O)c3cnc(C)[nH]3)CC2=O)C1 1094715521 NUGMMHORHYQMPW-GFCCVEGCSA-N 315.377 -0.244 30 20 DBED C#CCCN1CC(N2C[C@H](NC(=O)c3cn(C)cn3)CC2=O)C1 1094722972 ZOIUJLIFDDNDIL-GFCCVEGCSA-N 315.377 -0.542 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)c3n[nH]cc3C)CC2=O)C1 1094735408 MZDJIBWRNBMIFY-NSHDSACASA-N 303.366 -0.081 30 20 DBED CN(CCCNC(=O)CN1CCOCC1)c1cncc(C#N)n1 1095525946 PJJCVNQLLLQTOM-UHFFFAOYSA-N 318.381 -0.377 30 20 DBED C[C@H](CC(N)=O)C(=O)NCCCN(C)c1nccnc1C#N 1095704955 OOLSBCZQFUCPCA-SNVBAGLBSA-N 304.354 -0.198 30 20 DBED N#Cc1nccc(N2CCC[C@@H](NC(=O)C3(C(N)=O)CC3)C2)n1 1096229349 SJVJAVRLJRTOMD-SNVBAGLBSA-N 314.349 -0.301 30 20 DBED N#Cc1ccc(N2CCN(CCCNC(=O)C(N)=O)CC2)cn1 1096256856 QWZZLVJIWKWHTR-UHFFFAOYSA-N 316.365 -0.933 30 20 DBED Cc1cc(=N[C@H]2C[C@H](NC(=O)CCNC(N)=O)C2)c(C#N)c[nH]1 1097029533 DOIMQBAIEQTTPH-HAQNSBGRSA-N 316.365 -0.199 30 20 DBED N#Cc1ccc(N[C@H]2C[C@H](NC(=O)CCNC(N)=O)C2)nn1 1097030337 XJMLRVMOIXJPCE-MGCOHNPYSA-N 303.326 -0.534 30 20 DBED C[C@H](CNC(=O)[C@@H]1CC(=O)N(C)C1)Nc1cncc(C#N)n1 1098345667 DKQQTIJPNMUBNG-NXEZZACHSA-N 302.338 -0.257 30 20 DBED N#CCN(CCO)C1CCN(C(=O)[C@H]2CC[C@H]2C(N)=O)CC1 1098447755 WFWOWTRKOVUNRO-OLZOCXBDSA-N 308.382 -0.693 30 20 DBED CN1C[C@@H](C(=O)N2CCC(N(CC#N)CCO)CC2)CCC1=O 1098575563 VBGQXXBTSGYPNF-ZDUSSCGKSA-N 322.409 -0.336 30 20 DBED C#CCN(CCO)C1CCN(C(=O)[C@@H]2CCCN2C(N)=O)CC1 1098583801 DWFWIQJESASFBU-AWEZNQCLSA-N 322.409 -0.552 30 20 DBED C[C@@H](CCNC(=O)Cn1cnnn1)Nc1ccc(C#N)cn1 1098818293 YLASZZARVRRFKS-JTQLQIEISA-N 300.326 -0.053 30 20 DBED C[C@@H](CCNC(=O)CN1CCOCC1)N=c1cc[nH]c(C#N)n1 1099091940 SDYJQRKHOYOGRL-LBPRGKRZSA-N 318.381 -0.591 30 20 DBED C[C@H](CCNC(=O)[C@H]1CCNC1=O)Nc1nccnc1C#N 1099617415 UWOPSIPUADNKDS-NXEZZACHSA-N 302.338 -0.209 30 20 DBED COCCCN1CC[C@@H](NC(=O)CSCC#N)[C@H](O)C1 1099686128 AXCQILDGADTBTJ-VXGBXAGGSA-N 301.412 -0.169 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)Cc2cc[nH]n2)[C@@H](O)C1 1099750919 WAIALOSHSPPNME-KGLIPLIRSA-N 308.382 -0.294 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)Cc2ccn(C)n2)[C@H](O)C1 1099815208 CTJLITCFUZJASD-HUUCEWRRSA-N 320.393 -0.836 30 20 DBED C#CCOCCC(=O)N[C@H]1CCN(Cc2cnn(C)c2)C[C@H]1O 1099832855 NOQSYGARQZHJHZ-LSDHHAIUSA-N 320.393 -0.489 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)c2ccsn2)[C@@H](O)C1 1099887271 BTZJNGNQQUBHOQ-JQWIXIFHSA-N 324.406 -0.390 30 20 DBED N#CCN1CC[C@@H](NC(=O)COCc2cccnc2)[C@H](O)C1 1100090296 RVIOBRHMFBBHCR-ZIAGYGMSSA-N 304.350 -0.327 30 20 DBED CCN(CCNC(=O)[C@@H]1CN(C)CCO1)c1ccnc(C#N)n1 1100495763 DLXWWJOWKLZQSN-LBPRGKRZSA-N 318.381 -0.379 30 20 DBED C=CCCCNC1CC(CNC(=O)CN2CCNC(=O)C2)C1 1100563469 JEBWFALEECXQPN-UHFFFAOYSA-N 308.426 -0.131 30 20 DBED C#CCNC(=O)[C@H](C)NC1CC(CNC(=O)c2ncccn2)C1 1100776150 ZTVMXQJJNRKUOL-HIFPTAJRSA-N 315.377 -0.288 30 20 DBED CCCN(CCNC(=O)CNC(N)=O)c1ccncc1C#N 1101083667 OLNJCLQIQYONMK-UHFFFAOYSA-N 304.354 -0.046 30 20 DBED N#Cc1nccnc1N1CCCC[C@@H](NC(=O)CNC(N)=O)C1 1102839757 CRNARFAOPJMKDM-SNVBAGLBSA-N 317.353 -0.508 30 20 DBED CN1CC[C@H](C(=O)N(C)CCN(C)c2cncc(C#N)n2)C1=O 1105524772 IDCOWYGGJLDSND-LBPRGKRZSA-N 316.365 -0.279 30 20 DBED COC[C@H](OC)C(=O)N(C)CCN(C)c1cncc(C#N)n1 1105562571 LNXZMTFMNXKGFM-LBPRGKRZSA-N 307.354 -0.096 30 20 DBED C=CCN[C@@H]1C[C@@]2(C[C@H]1O)CN(C(=O)CNC(N)=O)[C@@H]2C(C)C 1105593791 GCYCCYPWOAKJMD-ZNEHSRBWSA-N 324.425 -0.193 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H](O)CNc1cc(C)nc(C)n1 1105830645 ITLVORXRNISYRO-LBPRGKRZSA-N 319.365 -0.878 30 20 DBED N#Cc1cncc(NC[C@H](O)CNC(=O)C23CCN(CC2)C3)n1 1105918097 WXKWKDPNNQQTHL-LBPRGKRZSA-N 316.365 -0.667 30 20 DBED N#Cc1nccnc1NC[C@H](O)CNC(=O)CCc1ccon1 1106020210 YJXLELFYZYWUPD-LLVKDONJSA-N 316.321 -0.142 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1CN[C@H](C)C(=O)NC(N)=O 1106106403 VVBHENCXANDTIL-NQBHXWOUSA-N 320.393 -0.333 30 20 DBED C[C@@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)c1nccnc1N 1106246915 UPNRXWJLKJXWMY-VIFPVBQESA-N 312.337 -0.237 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@H]1C 1106518949 UBSMQOVOSOTSTL-ZIAGYGMSSA-N 306.410 -0.874 30 20 DBED C=CCNC(=O)[C@H](C)N1CC(n2cc(CNC(=O)CC)nn2)C1 1107112819 BYBRZVYOFUOVSX-NSHDSACASA-N 320.397 -0.148 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)CNc1cc(COC)ncn1 1107695568 LPQHUGUNYJIARH-LLVKDONJSA-N 319.365 -0.321 30 20 DBED C[C@]1(CNC(=O)/C=C\C2CC2)CN(CC(=O)NCC#N)CCO1 1107838867 GSRBTWNVMFUJEA-AWFCHZOYSA-N 320.393 -0.201 30 20 DBED C=CCN1CCO[C@@](C)(CNC(=O)CCS(=O)(=O)NC)C1 1107941461 GIBLIFVOJZUYLS-ZDUSSCGKSA-N 319.427 -0.681 30 20 DBED COc1c[nH]c(C(=O)NC[C@]2(C)CN(CC#N)CCO2)cc1=O 1108073833 UVBCGOJCGRGTNO-OAHLLOKOSA-N 320.349 -0.272 30 20 DBED C[C@@H](CNc1nccnc1C#N)NC(=O)c1cnn(C)c1N 1108316207 GWKCYDFLJXDHEL-QMMMGPOBSA-N 300.326 -0.106 30 20 DBED C[C@]1(CNC(=O)[C@H]2CCCCN2C(N)=O)CN(CC#N)CCO1 1108334163 DRZGVTPZWNCQOY-DOMZBBRYSA-N 323.397 -0.350 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)CO[C@@H]3CCOC3)CC2=O)C1 1108545458 WGJPZLNERLYKBR-TZMCWYRMSA-N 323.393 -0.621 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)[C@@H]1CCS(=O)(=O)C1 1108603983 ALODGLYCSNBCFY-VHSXEESVSA-N 323.378 -0.879 30 20 DBED CN(CCCNc1ccc(C#N)nn1)C(=O)[C@H]1C[C@H]1C(N)=O 1109624542 QPAZHJGTODVWIN-MNOVXSKESA-N 302.338 -0.270 30 20 DBED CCO[C@H](C)C(=O)NC[C@]1(O)CCN(c2cncc(C#N)n2)C1 1111029971 VJIDNQMCJTYQBN-IAQYHMDHSA-N 319.365 -0.169 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@]1(O)CCN(c2cc(F)ncn2)C1 1111098990 YIHLKEJPBBWZLT-IAQYHMDHSA-N 322.340 -0.289 30 20 DBED CS(=O)(=O)CC(=O)NCC1(Nc2ccc(C#N)nn2)CCC1 1111759501 UTBQTITZFXLOSA-UHFFFAOYSA-N 323.378 -0.156 30 20 DBED N#Cc1cncc(NC2(CNC(=O)[C@H]3CNC(=O)N3)CCC2)n1 1111890748 NHNBYMLNWVCNFG-SNVBAGLBSA-N 315.337 -0.520 30 20 DBED C#CCN[C@@H]1CN(C(=O)CCNC(N)=O)C[C@H]1C(F)(F)F 1112203773 KFQBCAWKIHXYJL-RKDXNWHRSA-N 306.288 -0.343 30 20 DBED Cc1ncncc1C(=O)N1CCN(CC(=O)NCC#N)CC1 1112637829 VVBMDZSAGWWKHF-UHFFFAOYSA-N 302.338 -0.817 30 20 DBED CNC(=O)CC(=O)N1CCC[C@@H]1CN(C)c1ccnc(C#N)n1 1112790229 CSRJZVPTVWDOIO-LLVKDONJSA-N 316.365 -0.088 30 20 DBED N#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)C3CCOCC3)[C@H]2C1 1113768968 CWQPQUBQBHLGIP-IMRBUKKESA-N 306.366 -0.901 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CCN(C)C1=O)N(C)c1ccc(C#N)nn1 1113827372 ZHSQLASTYPMXTO-JQWIXIFHSA-N 316.365 -0.233 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)c3cnns3)[C@H]2C1 1113945056 ONFXQFLQQQSXTO-UXCLJVHYSA-N 319.390 -0.664 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)C[C@@H]3COC(=O)C3)[C@@H]2C1 1114139567 QEJRISZKZDAPEV-QJPTWQEYSA-N 321.377 -0.712 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)CN3CCOCC3)[C@H]2C1 1114151452 IYPJOIFZCXREII-FOLVSLTJSA-N 307.394 -0.985 30 20 DBED C#CCCCC(=O)NC1[C@@H]2CN(CC(=O)NC(=O)NC)C[C@@H]12 1114199483 VNOIVRRHELOUKD-GHMZBOCLSA-N 306.366 -0.708 30 20 DBED C=C(C)CN1C[C@H]2C(NC(=O)CCn3ncn(C)c3=O)[C@@H]2C1 1114615897 FTDUCMKVRBQNNG-VXGBXAGGSA-N 305.382 -0.406 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)[C@H](OC)C3CCC3)[C@@H]2C1 1114639042 PLKZHZFQKYPRBH-XJKCOSOUSA-N 319.405 -0.403 30 20 DBED Cc1nc(O)nc(O)c1CCC(=O)NC1[C@H]2CN(CC#N)C[C@H]12 1114648167 RIZZUSXJOAPBLJ-QWRGUYRKSA-N 317.349 -0.301 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)Cc3cnoc3)[C@H]2C1 1114727889 ZNUGBUMWXWPVGR-MUYACECFSA-N 318.377 -0.046 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3c[nH]cc3C)[C@H]2C1 1115235760 NDFAWYIFNGPULQ-STQMWFEESA-N 300.362 -0.267 30 20 DBED N#CCN1C[C@H]2C(NC(=O)CCNC(=O)c3cnccn3)[C@@H]2C1 1115261589 UCZGAMLGFNUZFF-GHMZBOCLSA-N 314.349 -0.834 30 20 DBED C[C@H](C#N)C(=O)NCC1(NCC(=O)NC(N)=O)CCCCC1 1115452289 WCAFJHNYWDFYAQ-SNVBAGLBSA-N 309.370 -0.250 30 20 DBED C[C@@H](CN(C)C(=O)Cn1cnnn1)Nc1nccnc1C#N 1115603715 VDLBUXASLTYBDW-VIFPVBQESA-N 301.314 -0.706 30 20 DBED N#CCOc1ccc(NC(=O)C(=O)N2CCNC(=O)C2)cc1 1115872078 QDTPJEUJGCMTLT-UHFFFAOYSA-N 302.290 -0.514 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2cnns2)C1=O 1116908628 RRJJPGMHUROALQ-MRVPVSSYSA-N 309.351 -0.278 30 20 DBED C#CCOCCNC(=O)C(=O)NCCCNc1ccccn1 1117040157 LMTYDIYWOACECU-UHFFFAOYSA-N 304.350 -0.234 30 20 DBED C=CCCN(C)C(=O)C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 1117148253 DHLFARSCUHEUNF-LLVKDONJSA-N 317.411 -0.439 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N(C)C[C@H]2C[C@@H](O)C2)C1=O 1118826461 CAKBSOJAFFYLBU-XQQFMLRXSA-N 323.393 -0.539 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)c2cc[n+]([O-])cc2)cn1 1121010074 KAQYRYVFLWIVKX-CQSZACIVSA-N 313.317 -0.211 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](CO)N=c1ccc2ncc[nH]c-2n1 1121214112 WVQFSFVUBSQFKM-NXEZZACHSA-N 300.322 -0.553 30 20 DBED C=CCN(C)c1nnc(C2CCN(S(N)(=O)=O)CC2)n1C 1121306449 WKNDGMVQDHBJCQ-UHFFFAOYSA-N 314.415 -0.180 30 20 DBED N#Cc1cncc(N[C@H](CO)CNC(=O)c2ccc(C#N)[nH]2)n1 1121317819 SDDYJLPNYDQSOB-NSHDSACASA-N 311.305 -0.249 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@H](CO)Nc1nc(C)cc(C#N)n1 1121405960 ROPCOFZITRFNFI-WFASDCNBSA-N 319.365 -0.127 30 20 DBED Cn1ccc(CC(=O)NC[C@@H](CO)Nc2ncccc2C#N)n1 1121481928 SSFRCDRIFNMEHX-ZDUSSCGKSA-N 314.349 -0.182 30 20 DBED C#CCOCCC(=O)NC[C@@H](CO)Nc1ccc(C#N)cn1 1122029842 XMJKMEHGBJDPCF-ZDUSSCGKSA-N 302.334 -0.118 30 20 DBED C#CCNCC(=O)N(C)CC(=O)N1CCC[C@H](C(=O)OCC)C1 1122044112 OBWYDCHAWKOSSO-ZDUSSCGKSA-N 323.393 -0.531 30 20 DBED Cc1ccn(CC(=O)NC[C@@H](CO)Nc2nccnc2C#N)n1 1122594670 VSIWOTISEMMAOB-NSHDSACASA-N 315.337 -0.558 30 20 DBED CCO[C@@H]1C[C@@H]1C(=O)NCCNCC(=O)N(CC)CCC#N 1124139528 HMQAJUHOLKHBLG-QWHCGFSZSA-N 310.398 -0.121 30 20 DBED C[C@H](NC(N)=O)C(=O)N(C)C[C@@H](O)CNc1ncccc1C#N 1124262230 KYWVKFCEHHBARQ-ONGXEEELSA-N 320.353 -0.759 30 20 DBED C[C@H](C#N)C(=O)NCCNCC(=O)NC(=O)NCc1ccco1 1124902391 JGMMIPWMLBLKHM-SNVBAGLBSA-N 321.337 -0.529 30 20 DBED CN(C[C@@H](O)CN(C)c1ccc(C#N)nc1)C(=O)CC(N)=O 1125023770 HKHIGWVXUAQMIB-LBPRGKRZSA-N 305.338 -0.916 30 20 DBED CC(C)C#CC(=O)NCCN[C@@H]1CCN(c2cnn(C)c2)C1=O 1126822630 FACSQIUVIPMRTR-CQSZACIVSA-N 317.393 -0.109 30 20 DBED C=CCCNCc1cccc(N2CC[C@@H](NC(=O)C(N)=O)C2)n1 1128118603 OKQSUGKCSNIGHM-CYBMUJFWSA-N 317.393 -0.073 30 20 DBED Cc1n[nH]c(C)c1[C@H](C)CC(=O)NCCNCC(=O)NCC#N 1130460720 WUSCHGXHAXLXHM-SNVBAGLBSA-N 320.397 -0.134 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1COCCN1CC 1130614623 BVXNQMDYOPDSGP-OLZOCXBDSA-N 312.414 -0.896 30 20 DBED C#CCOCCC(=O)N1C[C@H](C)O[C@]2(CCN(CC(N)=O)C2)C1 1131662741 XHJHRTXVVKDWML-BBRMVZONSA-N 323.393 -0.797 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)[C@@H]1CCNC1=O 1132375199 HWAPQHVXHRWRSU-GFCCVEGCSA-N 308.382 -0.971 30 20 DBED C#CCN1C[C@@H](NC(=O)CN(C)S(=O)(=O)CC)CC[C@@H]1C 1132392547 MESBYLKTKMDYDA-STQMWFEESA-N 315.439 -0.130 30 20 DBED C[C@@H](C[C@@H](C)NCC(=O)NCC#N)NC(=O)CNC(=O)C1CC1 1133774743 QZIINTRORKMZAX-MNOVXSKESA-N 323.397 -0.975 30 20 DBED C=CCN[C@H](C)C[C@H](C)NC(=O)Cn1ccc(=O)n(C)c1=O 1134539792 FEZQUYUKZVHAOH-NEPJUHHUSA-N 308.382 -0.394 30 20 DBED C=CCNC(=O)NC(=O)CNCCCNC(=O)[C@@H](C)OC 1155236305 OKDFFYWWKSNPOY-SNVBAGLBSA-N 300.359 -0.871 30 20 DBED CC(C)(C)C#CC(=O)NCCCNCC(=O)N1CCOCC1 1157718592 DDECFVGBZBNIDX-UHFFFAOYSA-N 309.410 -0.009 30 20 DBED C#CCNC(=O)CNCCCNC(=O)C(=O)Nc1ccccc1 1161775824 XSYARCSSYOQKEK-UHFFFAOYSA-N 316.361 -0.530 30 20 DBED C=C(Cl)CNCCCNC(=O)c1cnc(O)n(C)c1=O 1163781329 DGUDUPAYJSEZPJ-UHFFFAOYSA-N 300.746 -0.052 30 20 DBED Cc1ncc(C(=O)NCCC2(CNCC(=O)NCC#N)CC2)[nH]1 1163809263 DFCKOEKUNFKBDW-UHFFFAOYSA-N 318.381 -0.152 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCCCN[C@H](C)C(=O)NC(N)=O 1166993003 HKADCFRQWHJFHB-MXWKQRLJSA-N 312.370 -0.743 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@@H](CC(C)C)NC(C)=O 1171656599 NTNLGFJGCLVKTJ-CQSZACIVSA-N 324.425 -0.618 30 20 DBED C#CCCNCCCC[C@H](C)NC(=O)[C@H]1CCS(=O)(=O)N1 1176639206 PNCUEFUTYSNCHU-QWHCGFSZSA-N 315.439 -0.034 30 20 DBED CCCC[C@@H](NC(N)=O)C(=O)NCCCNCC#CCOC 1177340616 IFGVATSPKLAEKH-CYBMUJFWSA-N 312.414 -0.041 30 20 DBED CCN1CCO[C@H](C(=O)N2CC[C@H](NCC#CCOC)[C@@H]2C)C1 1180182692 KRLSWAIPTDRVRE-JYJNAYRXSA-N 323.437 -0.064 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@@H](NCCS(C)(=O)=O)C1 1182504665 HEJVMQADDRFVCI-VXGBXAGGSA-N 302.396 -0.740 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@@H](NCc2nnnn2C(C)C)C1 1182504720 ILJDRUWDAQICTJ-CHWSQXEVSA-N 320.397 -0.017 30 20 DBED C#CCCN[C@@H]1CCN(C(=O)Cn2nc3n(c2=O)CCCC3)C1 1186862172 OUTMULNHKUSDKD-CYBMUJFWSA-N 317.393 -0.405 30 20 DBED CC#CCN[C@@H]1CCN(C(=O)CCNC(=O)[C@@H]2CCCO2)C1 1188421852 KDBXBGBFHYULHB-KGLIPLIRSA-N 307.394 -0.115 30 20 DBED CCO[C@H](CC)C(=O)N1CC[C@H](N(C)CC(=O)NCC#N)C1 1189188084 GCXUPCYJUKJTDQ-QWHCGFSZSA-N 310.398 -0.026 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)c2ccc(C)o2)C1 1190794562 DZPFRKJGZROWEA-YNEHKIRRSA-N 319.361 -0.499 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)CCc2cnn[nH]2)C1 1192406573 KCOUGEGCCLQULY-CYBMUJFWSA-N 320.397 -0.428 30 20 DBED C#CCN1CCC(C(=O)N2CC[C@@H](N(C)CC(=O)NC)C2)CC1 1194246969 UNENZPDGVRFOSL-OAHLLOKOSA-N 320.437 -0.390 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)C2CCN(C)CC2)C1 1195830215 ZPMQJQMDKGYSHO-HUUCEWRRSA-N 311.426 -0.308 30 20 DBED COCC#CCN1CCCN(C(=O)C2CC(=O)NC(=O)C2)CC1 1197435897 PULWFTXDCFWHOD-UHFFFAOYSA-N 321.377 -0.777 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C[C@H](C)C2CC2)C1 1199180738 FSYKLQCJKIXFRO-IACUBPJLSA-N 309.410 -0.114 30 20 DBED C#CCOCCC(=O)N1CCC(N[C@H]2CCC(=O)NC2=O)CC1 1200523249 NQAVSDQTPNTKPR-ZDUSSCGKSA-N 321.377 -0.588 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)[C@H]2CN(C)C[C@H]2C)CC1 1202503431 MWKGLHLQNVEVPB-HIFRSBDPSA-N 320.437 -0.486 30 20 DBED CC#CCNC1CCN(C(=O)CN(C)S(=O)(=O)CC)CC1 1203142963 GONLDUIDEFFFRC-UHFFFAOYSA-N 315.439 -0.128 30 20 DBED C[C@H](NCC1CCN(C(=O)[C@H](C)C#N)CC1)C(=O)NC(N)=O 1204811124 GBCTVTGRXNNCLD-ZJUUUORDSA-N 309.370 -0.442 30 20 DBED COCC#CCN[C@@H]1CCCN(C(=O)[C@H]2COCCN2C)C1 1207829368 OQFJJKZLKVJNOV-HUUCEWRRSA-N 309.410 -0.453 30 20 DBED COCC#CCN[C@@H]1CCCN(C(=O)c2c[nH]c(=O)cn2)C1 1209279316 WHJICGYMPAUPIK-GFCCVEGCSA-N 304.350 -0.386 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)c1cccnn1 1209672339 OJCIGRKLAGHMNZ-ZYHUDNBSSA-N 302.338 -0.834 30 20 DBED C=CCNC(=O)[C@H](C)N[C@H]1CCCN(C(=O)c2nc[nH]n2)C1 1210206426 MFDKNNYVIWOEDQ-QWRGUYRKSA-N 306.370 -0.310 30 20 DBED C[C@]1(C(=O)N2CCC[C@@H](NCC(=O)NCC#N)C2)CCOC1 1210315316 NHEWBPZUAJUXGO-DOMZBBRYSA-N 308.382 -0.367 30 20 DBED CO[C@@H]1CN([C@@H]2CCN(C)C2=O)C[C@H]1NC(=O)C#CC(C)C 1212240714 BGEVKOHOSMIZJO-MGPQQGTHSA-N 307.394 -0.308 30 20 DBED COCC#CCN1C[C@@H](NC(=O)[C@]2(C)CCOC2)[C@H](OC)C1 1213615526 BURGBWIXAJBAKB-IIAWOOMASA-N 310.394 -0.122 30 20 DBED C#CCN1C[C@@H](NC(=O)CNC(=O)c2ccco2)[C@H](OC)C1 1213811093 HEYSMQUZIDDXKK-DGCLKSJQSA-N 305.334 -0.542 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)c2occc2C)C1 1219180628 ICFKXAYTHDQCBK-UPJWGTAASA-N 319.361 -0.499 30 20 DBED CC[C@H](C)CCC(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@@H]1O 1220594276 XBLRDHJDQRADDS-XQQFMLRXSA-N 310.398 -0.386 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)COCCc2ccccc2)C1 1221174098 MIRRHDWFWUHXOE-CABCVRRESA-N 303.362 -0.069 30 20 DBED C[C@@H]1OCC[C@H]1C(=O)NC1CCN(CC(=O)NCC#N)CC1 1229732667 NIFQXOGHNGBZLZ-WCQYABFASA-N 308.382 -0.368 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)NCCNc1ncccc1C#N 1257059389 IHSRLBNFVQPRDO-UHFFFAOYSA-N 323.356 -0.034 30 20 DBED C#CCSCCNC(=O)C(=O)N1C[C@H](CO)OC(C)(C)C1 1261400282 NGZWTUXMFDIRIH-LLVKDONJSA-N 314.407 -0.533 30 20 DBED C=CCn1cc(C(=O)N2C[C@H](CO)C[C@@H](OCCOC)C2)nn1 1261500861 ISMUSJYOIPPMQQ-CHWSQXEVSA-N 324.381 -0.050 30 20 DBED COCCN(C(=O)CSCC#N)[C@H]1CCS(=O)(=O)C1 1318339343 RSPJMWPWULEFTC-JTQLQIEISA-N 306.409 -0.095 30 20 DBED CC(=O)NC[C@H]1CN(C(=O)NC2CCN(CC#N)CC2)CCO1 1318672355 NCPIZCQUPFJOCK-AWEZNQCLSA-N 323.397 -0.479 30 20 DBED C=CCN(C(=O)C(=O)N[C@H]1CCCS(=O)(=O)C1)C1CC1 1322775819 YYNLMXUVKJJUJH-JTQLQIEISA-N 300.380 -0.143 30 20 DBED N#Cc1ncn(CCNC(=O)C(=O)Nc2cccnc2Cl)n1 1329184098 UYCUFCXHZIBABI-UHFFFAOYSA-N 319.712 -0.047 30 20 DBED C=CCNC(=O)Cn1nnnc1N1CCC[C@H](C2OCCO2)C1 1335436266 HFKNQFDZCRXNFV-NSHDSACASA-N 322.369 -0.435 30 20 DBED N#C[C@@H]1CCCN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1 1336516562 FZWXVKSUTIMDBX-JSGCOSHPSA-N 315.377 -0.053 30 20 DBED C=CCn1c(N2CCN3C(=O)NC[C@H]3C2)nnc1C(C)(C)O 1339835898 BZCPOXXHWHHCIE-JTQLQIEISA-N 306.370 -0.095 30 20 DBED C#CCOCCNC(=O)C(=O)Nc1cc([C@H]2CCCO2)nn1C 1344076801 OVGWIZJOAVYBJX-GFCCVEGCSA-N 320.349 -0.024 30 20 DBED C#CCCN(CCOC)C(=O)c1nc(C)n(-c2nc[nH]n2)n1 1347880500 ZHZFFUHYJCBLJO-UHFFFAOYSA-N 303.326 -0.194 30 20 DBED C=CC[C@H](CC)NC(=O)C(=O)N1C[C@@H](O)C[C@@H](C(=O)OC)C1 1349215716 ZMEQGAYYKUWMPY-WOPDTQHZSA-N 312.366 -0.160 30 20 DBED C#CC1CCN(C(=O)C(=O)NCc2cn(CC=C)nn2)CC1 1349259756 PNXZMLCPBANRDR-UHFFFAOYSA-N 301.350 -0.048 30 20 DBED NCC(F)(F)CNC(=O)CCN/C(O)=C1\N=CC=CC1=O 1349487677 RXIFGVJYHKPNJE-ZHACJKMWSA-N 302.281 -0.387 30 20 DBED CCC[C@@](C)(O)CNC(=O)CCn1cc(C#N)c(O)nc1=O 1362339780 ROUBRVHXXPSUKQ-CQSZACIVSA-N 308.338 -0.122 30 20 DBED CCn1cc(C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)nn1 1363503873 LDLONZNJPCJQMG-UHFFFAOYSA-N 316.325 -0.018 30 20 DBED N#C[C@@H]1CN(C(=O)NC[C@H]2CCCS(=O)(=O)C2)CCO1 1365181482 LLIHNHOQGROJMQ-GHMZBOCLSA-N 301.368 -0.255 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)C[C@@H]2CCC(=O)NC2)C1 1385938784 DPJLNMCVGHJJJS-BJDJZHNGSA-N 306.366 -0.174 30 20 DBED Cc1c(C(=O)N[C@@H](C)CNC(=O)c2cc(C#N)c[nH]2)nnn1C 1389322642 SSGAKWTVHPQRHN-QMMMGPOBSA-N 315.337 -0.128 30 20 DBED C[C@@H](C#N)C(=O)NC1CN(C(=O)c2cccc(C(N)=O)c2)C1 1398681937 HGOIYJUJEXRDQV-VIFPVBQESA-N 300.318 -0.114 30 20 DBED CCS(=O)(=O)CC(=O)NC[C@@H]1CCN1C(=O)[C@H](C)C#N 1400413480 FWTWVTALERNJRY-ZJUUUORDSA-N 301.368 -0.702 30 20 DBED CCCN(CCNC(=O)[C@@H](C)C#N)C(=O)CCn1cnnn1 1408885125 IARPIRBKJMAEHB-NSHDSACASA-N 307.358 -0.422 30 20 DBED COC(=O)[C@@H](O)CCNC(=O)CNC(=O)c1ccc(C#N)cc1 1412803312 LPZIPIBIVLDHNW-LBPRGKRZSA-N 319.317 -0.672 30 20 DBED CCN(CCC#N)C(=O)CN1CC[C@@H]1CNC(=O)c1cc[nH]n1 1423063456 SKANWEHKVPSFCC-GFCCVEGCSA-N 318.381 -0.024 30 20 DBED C[C@@H](CNC(=O)Cn1cc(C#N)c(O)nc1=O)Cn1cccn1 1433613248 WCFQIMJJIBYVLO-JTQLQIEISA-N 316.321 -0.530 30 20 DBED Cc1onc(CC(=O)N2CC[C@@H](CS(N)(=O)=O)C2)c1C#N 1434402743 WJXKJFLCXOKQJZ-SECBINFHSA-N 312.351 -0.466 30 20 DBED COCC(=O)NCCC(=O)N1CC[C@@H](NC(=O)[C@H](C)C#N)C1 1447022747 FXKKPADUSLALGU-GHMZBOCLSA-N 310.354 -0.984 30 20 DBED CN(CCNC(=O)C[C@H]1CCC(=O)N1)C(=O)c1cc(C#N)c[nH]1 1449028281 VWNJOOCPPRGROH-LLVKDONJSA-N 317.349 -0.257 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]1CNC(=O)CN1CCCNC1=O 1453186156 BVBSVHNNKGAXEI-QWRGUYRKSA-N 307.354 -0.722 30 20 DBED N#Cc1cn(CCC(=O)N2CCn3nccc3C2)c(=O)nc1O 1453764589 PLNSTNQZRCVERW-UHFFFAOYSA-N 314.305 -0.550 30 20 DBED Cc1occc(=O)c1OCC(=O)N1CC(NC(=O)[C@H](C)C#N)C1 1498383436 CDQZVTZHXDXYTI-SECBINFHSA-N 319.317 -0.186 30 20 DBED C[C@@H](C#N)C(=O)NCC1CN(C(=O)COCc2nncn2C)C1 1498678546 ROSXPGFZDUBWDE-JTQLQIEISA-N 320.353 -0.934 30 20 DBED CN(CCNC(=O)[C@H]1C[C@H]1C(N)=O)C(=O)c1c[nH]c(C#N)c1 1528666239 LLOHYCYBQJQWJR-MNOVXSKESA-N 303.322 -0.804 30 20 DBED COCC(=O)NCCC(=O)NC[C@@H]1CCCN1C(=O)[C@H](C)C#N 1529312682 ROUXOWKXSWKECG-NEPJUHHUSA-N 324.381 -0.594 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CCN(C(=O)CCOCc2cnn[nH]2)C1 1575175544 BEGFXTYJKYEWMD-QWRGUYRKSA-N 320.353 -0.412 30 20 DBED C[C@@H]1[C@H](Nc2cnc(-c3nn[nH]n3)c(C#N)n2)CCS1(=O)=O 1580390025 OMTXDGZMFHLDIV-RNFRBKRXSA-N 320.338 -0.484 30 20 DBED C#CCN(CC(=O)O)C(=O)N[C@@H](CC)CNS(C)(=O)=O 1588409564 GRKDRXDYZFMXKO-VIFPVBQESA-N 305.356 -0.956 30 20 DBED C[C@H](C(=O)[C@@H](C#N)C(=O)NC1CC1)n1cnc(-c2nn[nH]n2)n1 1588935982 CAVQMNVUXBGXHB-HTRCEHHLSA-N 315.297 -0.993 30 20 DBED COC(=O)[C@H]1CN(S(=O)(=O)CCCCC#N)C[C@@H]1C(=O)O 1598825457 KPMDARLFZXWWOC-UWVGGRQHSA-N 318.351 -0.184 30 20 DBED C=CCn1cc(C(=O)N2CCO[C@@](COC)(C(=O)O)C2)nn1 1602730900 ISKNXBTYKZIOOI-ZDUSSCGKSA-N 310.310 -0.594 30 20 DBED C=C(CCC(=O)O)C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 1602781873 FDOMDXLICSVKFG-JTQLQIEISA-N 304.368 -0.052 30 20 DBED N#Cc1ncc(NCCCn2cccnc2=O)nc1-c1nn[nH]n1 1606398249 SRGNMKWVKDQMMD-UHFFFAOYSA-N 324.308 -0.413 30 20 DBED N#Cc1ccc(N2C[C@H](C(=O)N[C@@H](CO)C(=O)O)CC2=O)cc1 1610629367 ZNUWYFUDQBJSTI-PWSUYJOCSA-N 317.301 -0.527 30 20 DBED Cc1cc(NC(=O)c2cnn(C[C@@H](O)CO)c2)n(CCC#N)n1 1649893517 QNAMVFAKPBLWDZ-GFCCVEGCSA-N 318.337 -0.093 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@@H](NC(=O)[C@@H]2CCC[C@H]2OC)C1 1752737260 KUWXONPLWIKBOC-XJFOESAGSA-N 307.394 -0.212 30 20 DBED C#CCCCC(=O)NC[C@@H]1CCCN(CC(=O)NC(N)=O)C1 1752781052 KJYNWTBPPXNWHZ-LBPRGKRZSA-N 308.382 -0.187 30 20 DBED CC[C@@H](CNC(=O)CN1CCCCC1=O)NCC(=O)NCC#N 1753476348 AEHIPRGUMJJKKK-LBPRGKRZSA-N 323.397 -0.877 30 20 DBED N#CCNC(=O)CNC[C@@H](NC(=O)c1ccncc1)C1CC1 1754433085 YSYUIVWDHFDJNV-CYBMUJFWSA-N 301.350 -0.181 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@H]1CNC(=O)c1cnn(C)c1 1754471776 DHOCCUWFXGRFIF-YPMHNXCESA-N 303.366 -0.638 30 20 DBED CCN1CCCC[C@@H]1C(=O)NC[C@H]1CCN1CC(=O)NCC#N 1754504052 CHHIJVFFMCLFNU-ZIAGYGMSSA-N 321.425 -0.309 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@](C)(NC(=O)CCN(C)C)C1 1754677816 AJZFAQPQSCDMGH-CJNGLKHVSA-N 308.426 -0.343 30 20 DBED C#CCOCCC(=O)NC[C@@]1(O)CCN(Cc2nc(C)no2)C1 1754750929 BHAXOWCMKMKNFW-HNNXBMFYSA-N 322.365 -0.529 30 20 DBED C=CCCN1CCOC[C@@H]1CNC(=O)C[C@@H]1CC(=O)NC1=O 1754973676 DCJHPNBAJPECGG-NEPJUHHUSA-N 309.366 -0.568 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)[C@H](C)CS(C)(=O)=O)CCO1 1755016685 DQWOBQMMBZIMSD-CHWSQXEVSA-N 316.423 -0.493 30 20 DBED C#CCNC(=O)CN1CCC[C@@H](NC(=O)CCOCC#C)CC1 1755023217 DDWAGOJDDGMTLO-OAHLLOKOSA-N 319.405 -0.254 30 20 DBED CC(C)[C@@H](C)C(=O)NC1(CO)CCN(CC(=O)NCC#N)CC1 1755181213 NRESCEJBRPSYTQ-CYBMUJFWSA-N 324.425 -0.139 30 20 DBED C=C(C)CNCC1CC(NC(=O)Cn2ccc(=O)n(C)c2=O)C1 1755212335 NYSOMNCRHPVUDC-UHFFFAOYSA-N 320.393 -0.393 30 20 DBED O=C(C#CC1CC1)N1CC[C@@]2(CN(CCOCCO)CCO2)C1 1755400400 GANUDQRCKYHXOR-QGZVFWFLSA-N 322.405 -0.288 30 20 DBED CN(CC#N)CCOCCNC(=O)c1cccn2nnnc12 1755540451 IHMNZKAMHJHABD-UHFFFAOYSA-N 303.326 -0.674 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H](CO)CNC(=O)c1cc(C)ncn1 1755626058 YGVYEZDNPHDFCB-VXGBXAGGSA-N 321.381 -0.844 30 20 DBED COCC#CCNC[C@H](O)CN(C)C(=O)c1ncccc1O 1755777618 LBCUZZQYOTUTNN-LBPRGKRZSA-N 307.350 -0.541 30 20 DBED C#CCCCC(=O)N1C[C@H]2C(CNC(=O)[C@@H]3CCC(=O)N3)[C@@H]2C1 1756214400 BYQZISOHSORFIH-IHRRRGAJSA-N 317.389 -0.111 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H]1C[C@H](NC(=O)[C@H]2COCCO2)C1 1756245042 ZBQJLQWPRPYSNP-XDQVBPFNSA-N 324.377 -0.549 30 20 DBED C[C@@H](C(=O)NC[C@@H](CO)NC(=O)C#CC(C)(C)C)n1cncn1 1756514176 TUJMEPQRVXXWRM-RYUDHWBXSA-N 321.381 -0.518 30 20 DBED CC(C)C#CC(=O)N[C@@H](CO)CNC(=O)CC1CCN(C)CC1 1756521404 PTKLBOYTUAMMDF-OAHLLOKOSA-N 323.437 -0.029 30 20 DBED C=CCOCC(=O)NCC1=CCN(C(=O)[C@H]2COC(=O)N2)CC1 1756762286 YJTMGCBQBNEKSW-GFCCVEGCSA-N 323.349 -0.428 30 20 DBED C=CCCCC(=O)N1C[C@H](O)[C@H](NC(=O)[C@H](C)n2cncn2)C1 1757166995 ODCWHSXMYSRIEH-XQQFMLRXSA-N 321.381 -0.117 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@]2(C)CCNC2=O)C1 1757332824 UYOAIPHQYPUFDA-OZWUEAAUSA-N 306.366 -0.317 30 20 DBED C[C@@H](S)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN)C2 1782181343 GFAXOANNZMSGIL-JTNHKYCSSA-N 315.439 -0.223 30 20 DBED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)CCc3ncc[nH]3)C2)C1 1784271893 RKYCGEZPODXENK-MRXNPFEDSA-N 316.361 -0.195 30 20 DBED C[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC#N)[C@H]2C1 1786706449 XYFVJNJNOKGOEO-CYDGBPFRSA-N 309.366 -0.349 30 20 DBED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)[C@@H](C)O)C2 1841055459 GSWANMJQCTWGMH-FOQNGQEVSA-N 321.377 -0.571 30 20 DBED O=C(C#CC1CC1)N1CC2(CCCN2C(=O)COCCO)C1 1845210893 HNIIFEAADPLBMG-UHFFFAOYSA-N 306.362 -0.388 30 20 DBED N#Cc1ccc(OCC(=O)N2CCCN(CC(N)=O)CC2)cc1 47342751 LJKMQQZKVGJNEG-UHFFFAOYSA-N 316.361 -0.043 30 20 DBED CC(C)(CNC(=O)CN1CCOC[C@H]1C#N)N1CCOCC1 89129912 XGCNBOSDCUPTBP-CYBMUJFWSA-N 310.398 -0.562 30 20 DBED Cc1nc(C#N)c(N2CCN(C(=O)CN3CC[C@@H](O)C3)CC2)o1 114485525 CKMITPVOMNOCJJ-GFCCVEGCSA-N 319.365 -0.430 30 20 DBED N#C[C@@H]1COCCN1C(=O)Cn1c(=O)[nH]c2ccccc2c1=O 173122328 ZBRAQDKZCMGHLN-SNVBAGLBSA-N 314.301 -0.559 30 20 DBED C=CCNC(=O)CNS(=O)(=O)c1cc(Cl)cnc1N 180256322 GVTKEBRJZWQYFZ-UHFFFAOYSA-N 304.759 -0.102 30 20 DBED C#C[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1c(C)nn(C)c1C 186004011 WEMYQPKJIZBQSP-WPRPVWTQSA-N 312.395 -0.158 30 20 DBED C#C[C@@H](C)NC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 186074535 LZYKLLYRRPVSGV-GFCCVEGCSA-N 306.366 -0.516 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1CCN(CCOC)C(=O)C1 271097292 MWVPOUHTGHJGID-NSHDSACASA-N 312.370 -0.823 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@](C)(O)CC2)C1=O 279818019 AHXWLBKTQBUNIM-HNNXBMFYSA-N 323.349 -0.273 30 20 DBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)CN1CCN(CC)C(=O)C1=O 281335186 JNDFXGOEDFHJQA-JSGCOSHPSA-N 323.393 -0.226 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)NCCCN1C(=O)CCC1=O 282799068 YEHBNWQOGHLFBI-JTQLQIEISA-N 316.383 -0.549 30 20 DBED CC(=O)c1ccc(C#N)cc1N1CCN2C(=O)C(=O)NC[C@H]2C1 302068501 XDEVDCXFWWGBNG-LBPRGKRZSA-N 312.329 -0.092 30 20 DBED O/C(=N/CCn1cncn1)N1CCC(Nc2cccnn2)CC1 329566757 KXYKPDBFWVKSJZ-UHFFFAOYSA-N 316.369 0.559 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1CCC(C)(O)CC1 330369535 BYSKMWTWAQUJHC-UHFFFAOYSA-N 305.400 -0.060 30 20 DBED COC(=O)c1cc(NC(=O)C(=O)N2CCO[C@H](C#N)C2)cn1C 330656235 QIFVMIJLHFUJHP-SNVBAGLBSA-N 320.305 -0.499 30 20 DBED C/N=C(/O)NCC(=O)N1CC[C@H](C(=O)OC)C[C@H]1C(=O)OC 330748080 ABPJEBDXCGLMSG-IUCAKERBSA-N 315.326 -0.927 30 20 DBED CCS(=O)(=O)NCCNS(=O)(=O)c1ccc(C#N)nc1 337912045 KAYRJQLMTKSXEY-UHFFFAOYSA-N 318.380 -0.829 30 20 DBED C=CC[C@@H](CO)CNC(=O)NC1CCN(CC(=O)NC)CC1 341857904 FDOHMNLCDDNVLZ-GFCCVEGCSA-N 312.414 -0.319 30 20 DBED CN(C)CCN1C[C@@H](C(=O)N2CCSC[C@H]2C#N)CC1=O 342206232 ADJJXGSDCBITJS-NWDGAFQWSA-N 310.423 -0.136 30 20 DBED N#CCNC(=O)CNC(=O)CCNC(=O)c1ccc(F)cc1 344143494 AUYBQQFSLXUSGX-UHFFFAOYSA-N 306.297 -0.298 30 20 DBED C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCN(C(=O)CO)CC1 344772653 IPVRJEXCZRQJTN-GFCCVEGCSA-N 317.345 -0.011 30 20 DBED CC[C@H]1CN(S(=O)(=O)N(C)CCC#N)C[C@H](C)S1(=O)=O 344921197 TZGPIZVYKKSNMU-QWRGUYRKSA-N 323.440 -0.026 30 20 DBED C[C@@H](C#N)C(=O)N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 347100302 GAASPZGFUDPAFX-STQMWFEESA-N 308.382 -0.462 30 20 DBED CCN(C[C@H](C)C#N)C(=O)CN1CCC(O)(C(=O)OC)CC1 378369633 YTHGKEOWWNHNCZ-GFCCVEGCSA-N 311.382 -0.006 30 20 DBED C[C@](O)(CNS(=O)(=O)CCCCC#N)CN1CCOCC1 443256882 YXBLFFBHIBPFIO-ZDUSSCGKSA-N 319.427 -0.317 30 20 DBED C#CCNC(=O)CN1CCN([C@H](C)C(=O)N[C@@H](C)CC)CC1 491128132 ZDDQPMVCSJTTAZ-UONOGXRCSA-N 308.426 -0.343 30 20 DBED C#C[C@H](CC)NC(=O)NCCC(=O)N1CCN(C(C)=O)CC1 491747089 CEKURWYUKCOJNJ-CYBMUJFWSA-N 308.382 -0.222 30 20 DBED C#CCNC(=O)CN1CCN([C@@H](C)c2nc(C)cc(O)n2)CC1 491755029 XMUJZNDKZXULIS-ZDUSSCGKSA-N 317.393 -0.081 30 20 DBED C#C[C@@H](CCC)NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 491766383 GPSFRXMJKNCDNU-JTQLQIEISA-N 317.349 -0.648 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N1CCN(C(=O)N(C)C)CC1 558680744 MGEYHNNJVITVAJ-NSHDSACASA-N 317.415 -0.236 30 20 DBED Cc1nc(N2CC[C@](O)(CC#N)C2)sc1S(N)(=O)=O 591975327 SQQGOLPFRQUUSP-SNVBAGLBSA-N 302.381 -0.046 30 20 DBED CC(C)(CNC(=O)CN1CC[C@@](O)(CC#N)C1)N1CCOCC1 592147412 LMVBNALIHKAHJE-INIZCTEOSA-N 324.425 -0.436 30 20 DBED COCCN(C[C@H](O)C(F)(F)F)C(=O)Cn1cnc(C#N)n1 594381903 QBIGODSZPMMYOV-QMMMGPOBSA-N 321.259 -0.452 30 20 DBED CCN(CCC#N)S(=O)(=O)NCc1nc(C(N)=O)co1 594802806 CTZHDNGMYRMXCK-UHFFFAOYSA-N 301.328 -0.657 30 20 DBED CN(C[C@H](O)C1CC1)C(=O)C(=O)N1CCN(CCC#N)CC1 601472568 WXFDCFVKBUGYNK-ZDUSSCGKSA-N 308.382 -0.726 30 20 DBED CN1CCN(C(=O)CCNC(=O)N2CC[C@](F)(C#N)C2)CC1 615575035 PLONWPRRJSOFCK-AWEZNQCLSA-N 311.361 -0.202 30 20 DBED O=C1c2ccccc2C(=O)N1CC#CCN(CCO)CCO 625135297 KHJVVLSUJGKVJS-UHFFFAOYSA-N 302.330 -0.427 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)CCN1CCCC1=O 727914331 SRTBEVNEHIILBF-SNVBAGLBSA-N 311.338 -0.058 30 20 DBED N#CCNC(=O)COC(=O)CN1C(=O)NC2(CCCC2)C1=O 731238569 BVRYYIFFHYCUCW-UHFFFAOYSA-N 308.294 -0.966 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H](CC)C(=O)N1CCOCC1 752509520 LERUFJJHFVASOO-KBPBESRZSA-N 307.394 -0.162 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2cccc(O)c2O)CC1 790644978 ZHAIXWOLEWXNFH-UHFFFAOYSA-N 317.345 -0.395 30 20 DBED N#Cc1ncn(CCNS(=O)(=O)c2cccc3nonc23)n1 796142690 MYHFDZJKVYCDPH-UHFFFAOYSA-N 319.306 -0.336 30 20 DBED C=CCN1CC[C@@H](OC(=O)Cn2cnc3c(N)ncnc32)C1=O 798631449 PUGXSFMWCNOREN-SECBINFHSA-N 316.321 -0.261 30 20 DBED C=C[C@H](O)C(=O)OCC(=O)NCCCN1CCCCCC1=O 814549514 LDIOUGCDERSYNU-LBPRGKRZSA-N 312.366 -0.015 30 20 DBED C#C[C@H](NC(=O)C(=O)N1C[C@H](C)C[C@@H](C(=O)O)C1)[C@@H]1CCCO1 817890916 BNZMLBVVMVWBQI-NDBYEHHHSA-N 322.361 -0.147 30 20 DBED N#CCC[C@H](C#N)CNCCS(=O)(=O)N1CCOCC1 818988360 IWYMTXLPDOOCAL-GFCCVEGCSA-N 300.384 -0.318 30 20 DBED C=CC[C@H](CO)CNC(=O)C(=O)Nc1cc(C(=O)O)n(C)c1 833369659 CLUWUSDGELUPBO-VIFPVBQESA-N 309.322 -0.037 30 20 DBED CNC(=O)COc1cccc(CC(=O)N[C@@H]2CNC[C@@H]2C#N)c1 834480481 QOCJMLIRPUFGJK-GXTWGEPZSA-N 316.361 -0.418 30 20 DBED CN(C)S(=O)(=O)N(C)CC(=O)Nc1cc(C#N)ccc1O 845886641 FSDWXCQNWQUYBO-UHFFFAOYSA-N 312.351 -0.059 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N1CCN(CCC#N)CC1 868490529 AKKGYSGCDWBUTC-UHFFFAOYSA-N 314.411 -0.172 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)C2(CN(C)C)CC2)CC1 874383331 STBPMJJFGCIOMT-UHFFFAOYSA-N 320.437 -0.388 30 20 DBED C#CC1(O)CN(C(=O)NC[C@@H](C)CN2CCN(CC)CC2)C1 893237975 KEIYSHWEYOAINM-CQSZACIVSA-N 308.426 -0.351 30 20 DBED Cn1c(S)nnc1[C@H]1CCCN(C(=O)NCC#CCO)C1 923764107 HLAMISAJGPKSFE-JTQLQIEISA-N 309.395 -0.012 30 20 DBED CN(C(=O)[C@@H]1CCNC(=O)C1)[C@@H]1CCN(C(=O)C#CC2CC2)C1 937347016 FKQYUQKVHVWXDK-ZIAGYGMSSA-N 317.389 -0.015 30 20 DBED CC(=O)N1CC(C(=O)N(C)[C@@H]2CCN(C(=O)C#CC3CC3)C2)C1 937347112 HDSOGTBHUSKBGS-OAHLLOKOSA-N 317.389 -0.063 30 20 DBED O=C(N[C@H]1CCN(C(=O)C#CC2CC2)C1)c1ccn2nnnc2c1 938404985 PVCZUAAQNWXXGH-ZDUSSCGKSA-N 324.344 -0.132 30 20 DBED C[C@H](C#N)C(=O)N1CCCN(C(=O)C[C@H]2CCNC2=O)CC1 941287139 ASDPAADTLKDISN-VXGBXAGGSA-N 306.366 -0.267 30 20 DBED CCn1cc(CC(=O)N[C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)nn1 942090005 DKUPBEYULXUCHL-WDEREUQCSA-N 304.354 -0.283 30 20 DBED C[C@H](C#N)C(=O)N1CCCC[C@@H](NC(=O)Cn2nccn2)C1 943273604 PPDXKNFYVNCCLO-VXGBXAGGSA-N 304.354 -0.065 30 20 DBED C=CCCn1cc(C(=O)NC2CCN(C(=O)C(N)=O)CC2)nn1 948080411 NUNWNAHJZUTLPU-UHFFFAOYSA-N 320.353 -0.940 30 20 DBED CC#CCN1CCC[C@@H](N(C)C(=O)CN2CCNC(=O)C2)CC1 948673997 NGSHZYJPOTXDHY-OAHLLOKOSA-N 320.437 -0.246 30 20 DBED C#CCN1CCC[C@@H](N(C)C(=O)C2CC(=O)NC(=O)C2)CC1 948851994 GWQAYWTVDGIXON-CYBMUJFWSA-N 305.378 -0.015 30 20 DBED C=CCN1CC[C@@H](N2CCN(C(=O)c3cnn[nH]3)CC2)C1=O 949055772 OACUYRDTNOHAIT-GFCCVEGCSA-N 304.354 -0.651 30 20 DBED COc1cncc(C(=O)NC[C@H]2CCN2C(=O)[C@H](C)C#N)n1 949942426 QIEIBIDABWCZRK-NXEZZACHSA-N 303.322 -0.024 30 20 DBED CC#CCN1C[C@H](CNC(=O)c2ccc3nn[nH]c3n2)[C@@H](O)C1 958121456 GYGRSCVLBOYYQT-GWCFXTLKSA-N 314.349 -0.601 30 20 DBED Cn1ncc(C2CC2)c1C(=O)NC[C@@H]1CN(CC#N)C[C@@H]1O 958122124 QETAYTLAASKZEH-YPMHNXCESA-N 303.366 -0.156 30 20 DBED C=CCN1C[C@@H](O)[C@H](CNC(=O)c2ccnn2CCOC)C1 958171976 OFHZUQXWHVHVIY-TZMCWYRMSA-N 308.382 -0.262 30 20 DBED N#CCN1C[C@H](CNC(=O)c2nccn3ccnc23)[C@@H](O)C1 958419189 YZHRUZNBZFMOSR-QWRGUYRKSA-N 300.322 -0.725 30 20 DBED C#CCCN1C[C@H](O)[C@H](CNC(=O)c2cc(C(N)=O)cs2)C1 958727480 GBJNICDIHIUDFR-NEPJUHHUSA-N 321.402 -0.107 30 20 DBED C#CCN1C[C@@H]2C(NC(=O)c3ccc(=O)n(CCOC)c3)[C@H]2C1 960768233 PMNAQEVLWMHZEO-KBPBESRZSA-N 315.373 -0.212 30 20 DBED CC#CCN1C[C@H]2[C@H](NC(=O)c3cc(=O)n4[nH]cnc4n3)[C@H]2C1 962291550 YNNGLNNSTWYXAU-IWIIMEHWSA-N 312.333 -0.899 30 20 DBED Cc1n[nH]cc1C(=O)NC[C@H]1COCCN1C(=O)[C@@H](C)C#N 964291395 IZXNQPKJUDIWGA-ONGXEEELSA-N 305.338 -0.165 30 20 DBED C#CCCN1CC[C@@H](C)[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 966166005 IMOXGEUWNUVHGZ-NEPJUHHUSA-N 318.381 -0.773 30 20 DBED C[C@@H](NC(=O)c1c[nH]c(C#N)c1)C1CN(Cc2nnnn2C)C1 969526127 JUIXGTIQJQCIAI-SECBINFHSA-N 314.353 -0.340 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@H](NC(=O)Cc2nc[nH]n2)C1 970787803 YMNSGNLPVJTYDK-ZJUUUORDSA-N 307.354 -0.753 30 20 DBED CCn1cc(C(=O)N[C@H]2[C@@H]3CN(C(=O)[C@H](C)C#N)C[C@@H]32)nn1 977099157 XGZSAMORQYCCNR-SVDPJWKOSA-N 302.338 -0.356 30 20 DBED CN1CC[C@@H](C(=O)N(C)C[C@H]2CCN2C(=O)C#CC2CC2)C1=O 978217425 WPCKGGGKCLVTMB-ZIAGYGMSSA-N 317.389 -0.063 30 20 DBED C#CCN1C[C@@H]2C(CNC(=O)[C@H]3CCc4nnnn4CC3)[C@H]2C1 978740012 LCTUSBLWIXGQOL-IACUBPJLSA-N 314.393 -0.447 30 20 DBED Cn1cnn(CC(=O)N[C@@H]2CC[C@H]3CN(CC#N)C[C@H]3C2)c1=O 980080165 AZOPKIBJRBPODX-YNEHKIRRSA-N 318.381 -0.678 30 20 DBED C#CCCN1CCCN(C(=O)CN2C(=O)CN(C)C2=O)CC1 989627833 KEHAZKCEAXFCIQ-UHFFFAOYSA-N 306.366 -0.562 30 20 DBED CN1C[C@@H](C(=O)N2CC(NC(=O)c3ccc(C#N)[nH]3)C2)CC1=O 990898205 BFIQJCXTBGIBEV-VIFPVBQESA-N 315.333 -0.695 30 20 DBED CC(=O)N1CC[C@](C)(C(=O)NC2CN(C(=O)C#CC3CC3)C2)C1 999702956 OLRVHRPCLODOBH-KRWDZBQOSA-N 317.389 -0.015 30 20 DBED N#CCN1CCC(NC(=O)[C@H]2CCc3nnc(O)n3C2)CC1 1003186797 VOBBEYBYXSWROT-JTQLQIEISA-N 304.354 -0.350 30 20 DBED C[C@@H](C#N)C(=O)N1CC(CNC(=O)c2cn(C)c(=O)cn2)C1 1003589605 JRYAOUPZZUUTRU-VIFPVBQESA-N 303.322 -0.872 30 20 DBED C[C@@H](C#N)C(=O)N1CC(CNC(=O)c2cc(C(N)=O)co2)C1 1004386053 JMTATVAYKZHSIX-QMMMGPOBSA-N 304.306 -0.274 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CC[C@H]1CN2C(=O)c1ncn(C)n1 1007299317 HFIPVWGEJKAQNV-OUAUKWLOSA-N 302.338 -0.210 30 20 DBED CN1CC[C@H](N2CC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)C1=O 1010696089 GJGZIMQIOWVVJS-YPMHNXCESA-N 301.350 -0.079 30 20 DBED N#Cc1ccc(C(=O)N2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)[nH]1 1011020093 RGKSXSQEVJNXNZ-MNOVXSKESA-N 315.333 -0.708 30 20 DBED C=CCn1cc(C(=O)N[C@H]2C[C@@H](C)N(C(=O)CC(N)=O)C2)nn1 1012411604 HTWOBSQQHUIVIK-ZJUUUORDSA-N 320.353 -0.941 30 20 DBED N#CCN1CCC2(CC1)C[C@H]2NC(=O)C[C@@H]1NC(=O)NC1=O 1016664939 SGZGZARCWVFBKD-VHSXEESVSA-N 305.338 -0.921 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@H](N[C@@H]3CCCNC3=O)C2)[nH]1 1018730719 GMXWYNVZDZUICU-NWDGAFQWSA-N 301.350 -0.031 30 20 DBED CC#CCN1CCC[C@H](CNC(=O)c2cn(CC(N)=O)nn2)C1 1023763368 LBMMTCIRUHKMCF-GFCCVEGCSA-N 318.381 -0.772 30 20 DBED Cc1nccc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2O)n1 1023826279 DCNZUTMLOMLEGW-GGZOMVNGSA-N 303.322 -0.754 30 20 DBED C#CCN[C@@H]1CC[C@H]2CN(C(=O)c3cn(C)c(=O)nc3O)C[C@@H]21 1026419972 ZVXKZLYCOKTSCF-GMXVVIOVSA-N 316.361 -0.441 30 20 DBED CC1(C)CC(=O)N(CC(=O)N2C[C@@H]3CC[C@H](C2)N3CC#N)C1=O 1029309330 LYDIEHWVQVHNAG-TXEJJXNPSA-N 318.377 -0.030 30 20 DBED C#CCCN1CC[C@H](N(CC)C(=O)[C@@H]2CCS(=O)(=O)N2)C1 1034043399 DWZRNRXHQHUTSD-STQMWFEESA-N 313.423 -0.376 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCCCN(CC(=O)NC)C1 1034247880 VQDDNJGAVMZGSK-CABCVRRESA-N 320.437 -0.199 30 20 DBED C=CCN1CCO[C@H](CNC(=O)[C@H]2CCc3nnc(O)n3C2)C1 1035425244 UMEGWUHZYPWXFZ-NWDGAFQWSA-N 321.381 -0.451 30 20 DBED Cc1nnc(O)c(C(=O)NC[C@@H]2CN(CC#N)CCO2)c1C 1035464986 BVYIHEPHTMWXRT-LLVKDONJSA-N 305.338 -0.247 30 20 DBED C=CCN1CCO[C@H](CNC(=O)C2CCN(C(N)=O)CC2)C1 1035601826 CWATXIMDYITHMA-CYBMUJFWSA-N 310.398 -0.220 30 20 DBED N#CCN1CC[C@@H]2CN(C(=O)CN3CCCNC3=O)CC[C@H]21 1036758795 AFBCTRIOMRMMOJ-CHWSQXEVSA-N 305.382 -0.152 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@]1(O)CCN(C(=O)COCC)C1 1039575724 FCBOOINNWPXTPG-CABCVRRESA-N 314.382 -0.570 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(O)(CNC(=O)c2cc[nH]n2)C1 1041601977 NHSDPZNEPAXFSV-CYBMUJFWSA-N 308.338 -0.960 30 20 DBED CC(=O)N1CCO[C@@H](C(=O)N2CC[C@@]3(CCN(CC#N)C3)C2)C1 1041812502 ZQVWKDKIAHNSSS-GDBMZVCRSA-N 320.393 -0.318 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)C(F)=C(C)C)C1 1042518210 AACPFXYXBZBBGD-UHFFFAOYSA-N 312.341 -0.021 30 20 DBED Cc1ccnc(C(=O)N2CC(O)(CNC(=O)C#CC3CC3)C2)n1 1042957931 BIJPWPJWOJBZFB-UHFFFAOYSA-N 314.345 -0.498 30 20 DBED Cc1noc(C)c1CC(=O)NCC1(O)CN(C(=O)[C@H](C)C#N)C1 1043005607 WXZWSSUUGRMFOB-SECBINFHSA-N 320.349 -0.317 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)CCCF)C1 1043039889 KMUBQMFNPUOFNE-UHFFFAOYSA-N 300.330 -0.535 30 20 DBED C#CCC1(C(=O)NCC2(O)CN(C(=O)[C@H](C)OC)C2)CCC1 1043347817 KRWBIPBTYLGCLK-LBPRGKRZSA-N 308.378 -0.096 30 20 DBED C[C@@H]1CN(C(=O)[C@H]2CCNC2=O)C[C@H]1Nc1cnc(C#N)cn1 1043431505 IITAKMSIEWGSPK-ADEWGFFLSA-N 314.349 -0.257 30 20 DBED C=CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)CCN(C)C)C1 1043574074 CPZAYCYZNIBMIB-GFCCVEGCSA-N 313.398 -0.781 30 20 DBED C=CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)c2ccnnc2)C1 1043575901 LIPMUGURFHTXBP-LLVKDONJSA-N 320.349 -0.629 30 20 DBED C=C[C@@H](C)[C@H](C)C(=O)NCC1(O)CN(C(=O)c2ncn(C)n2)C1 1044980532 OADGLMYCTFOJOH-MNOVXSKESA-N 321.381 -0.424 30 20 DBED C#CCCN1CC[C@H](N2CCN(C(=O)[C@H]3COCCO3)CC2)C1 1046009514 UUAJCRILQIMWFX-JKSUJKDBSA-N 321.421 -0.356 30 20 DBED C#CCN1CC[C@H](N2CCN(C(=O)[C@@H]3CN(C)CCO3)CC2)C1 1046014534 ZBXJRMZDRFRYTL-HOTGVXAUSA-N 320.437 -0.831 30 20 DBED CC#CCN1CC[C@@](C)(NC(=O)[C@H]2CN(C(C)=O)CCO2)C1 1046814549 KDMSMDFYFORYPK-GDBMZVCRSA-N 307.394 -0.162 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[C@H]2C(N)=O)C1 1047531851 PZBFNGAAOUJXPS-RCWTZXSCSA-N 301.774 -0.636 30 20 DBED CN(C)c1ccc(C(=O)N(C)[C@H]2CN(CC#N)C[C@@H]2O)nn1 1047598871 AGIWTLLEMVDQLZ-RYUDHWBXSA-N 304.354 -0.817 30 20 DBED COCC(=O)N(C)[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1O 1048023106 YMUULNLXJMRIOC-RYUDHWBXSA-N 306.322 -0.824 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)[C@@H]1CCc2cnn(C)c2C1 1051085970 ILBFQDGJPJUZTC-HIFRSBDPSA-N 316.405 -0.025 30 20 DBED CNC(=O)CC(=O)NC[C@H]1CN(C(=O)C#CC(C)C)C[C@H]1C 1052530767 UNPFTFRKIUTLCR-OLZOCXBDSA-N 307.394 -0.007 30 20 DBED C#CCN1CCC[C@H](NC(=O)CN2CC(=O)N(C)C2=O)CC1 1052864086 ZPURYMWBCSPSIY-LBPRGKRZSA-N 306.366 -0.516 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC2(CN(CCn3cncn3)C2)C1 1053191328 OPBKXYCJMKIUOX-LBPRGKRZSA-N 304.354 -0.649 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)[C@H]1OCCO[C@H]1C)CCO2 1053294553 SXEHVWCNYCCNHJ-KBPBESRZSA-N 308.378 -0.273 30 20 DBED C#CCN1CC2(C1)CN(C(=O)C[C@@H]1CCCC(=O)N1)CCO2 1053334284 USJKXVJTIHPOML-ZDUSSCGKSA-N 305.378 -0.408 30 20 DBED C=CCCN1CC2(C1)CN(C(=O)Cn1c(O)nnc1O)CCO2 1053519326 WBQJQLUIRIVEBC-UHFFFAOYSA-N 323.353 -0.821 30 20 DBED C#CCN1CC2(CC[C@H](CNC(=O)[C@H]3CN(C)CCO3)O2)C1 1053586935 ZRMPZWFLLXWMCP-ZIAGYGMSSA-N 307.394 -0.700 30 20 DBED C=CCN[C@@H]1CN(C(=O)CCc2nnc(O)nc2O)C[C@@H]1C 1054847170 CXHAGJZWLSWRFC-GXSJLCMTSA-N 307.354 -0.162 30 20 DBED CC(=O)NCC(=O)N[C@@]1(CO)CCCN(C(=O)C#CC(C)C)C1 1055718667 NYBJAQVYXZAILP-INIZCTEOSA-N 323.393 -0.748 30 20 DBED C=CCOCC(=O)N[C@@]1(CO)CCCN(C(=O)[C@H](C)OC)C1 1055832182 VKXMRKXMXZHZBA-WFASDCNBSA-N 314.382 -0.306 30 20 DBED N#Cc1ccc(N2C[C@H]3C(NC(=O)c4cncnc4O)[C@@H]3C2)nn1 1056329784 CBFUJSNPKACIJA-GHMZBOCLSA-N 323.316 -0.292 30 20 DBED C#CCO[C@H](C)C(=O)NCCN(CCO)C(=O)[C@@H](CC)OC 1057156603 GCYKFIUCPUQBAB-CHWSQXEVSA-N 314.382 -0.613 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)C1CN(C(C)=O)C1 1057439772 ZXKJHIDDLGLIAN-UHFFFAOYSA-N 323.393 -0.795 30 20 DBED C=C[C@](C)(O)CC(=O)N(CCO)CCNC(=O)[C@@H](C)OCC 1057449482 DAGJOTMJKSODRQ-DOMZBBRYSA-N 316.398 -0.324 30 20 DBED O=C(CCc1ccon1)NCCN(CCO)C(=O)C#CC1CC1 1057537945 QKQXIVLBUUSNTG-UHFFFAOYSA-N 319.361 -0.042 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)[C@H]1CC(=O)N(C)C1 1057850625 ZPQADIHUNVSLQU-LBPRGKRZSA-N 311.382 -0.632 30 20 DBED C=CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)c1c[nH]nc1C 1057923310 QVUYTSGJQRCRNF-LBPRGKRZSA-N 324.381 -0.140 30 20 DBED N#Cc1ccc(N2CCC[C@@H](NC(=O)[C@H]3COC(=O)N3)C2)nn1 1058152372 RFCHHEQMYBKCOB-GHMZBOCLSA-N 316.321 -0.458 30 20 DBED N#Cc1nccnc1N1CC[C@H](NC(=O)C[C@H]2CCNC2=O)C1 1058465235 NMPIRAWHDWZTHL-MNOVXSKESA-N 314.349 -0.431 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)[C@H]1CCO[C@H]1C 1058553058 UMWJYDAXLVSPID-STQMWFEESA-N 314.382 -0.449 30 20 DBED C=CCCCC(=O)N(CCO)CCNC(=O)[C@@H](COC)OC 1058623439 SCICDKUUNJMZFB-CYBMUJFWSA-N 316.398 -0.059 30 20 DBED O=C(C#CC1CC1)NCCN(CCO)C(=O)c1n[nH]cc1F 1058751371 FDFYKWRKWLUDCJ-UHFFFAOYSA-N 308.313 -0.487 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1CCN(C(=O)CCn2cnnn2)C1 1058947658 NIFAEGYTRDBRSG-LBPRGKRZSA-N 312.337 -0.535 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CC[C@H](NC(=O)[C@@H]2CNC(=O)N2)CC1 1060800995 LXRBPVZCPUGHKV-KKOKHZNYSA-N 321.381 -0.381 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@H]1COCCN1C(=O)c1nc[nH]n1 1061542373 JLDZWJVWDDQQPS-IINYFYTJSA-N 323.353 -0.911 30 20 DBED N#Cc1nccc(N2C[C@@H]3C[C@H]2CN3C(=O)Cc2nc[nH]n2)n1 1062528375 VYTUNYFKZKBOPU-UWVGGRQHSA-N 310.321 -0.501 30 20 DBED Cn1nnc(C(=O)NCC2(NC(=O)C#CC3CC3)CCC2)n1 1064047349 PAPOOGVXVBUYQU-UHFFFAOYSA-N 302.338 -0.608 30 20 DBED C=C(C)CCC(=O)N1CCO[C@H](CNC(=O)Cn2cncn2)C1 1065223756 GEUURGGFPUCZSL-CYBMUJFWSA-N 321.381 -0.022 30 20 DBED C=CCCCC(=O)N1CCO[C@@H](CNC(=O)[C@H]2CCNC2=O)C1 1065545174 JBWWHQSZMWCBOU-STQMWFEESA-N 323.393 -0.178 30 20 DBED Cc1nc(CC(=O)NC[C@@H]2CN(C(=O)[C@H](C)C#N)CCO2)n[nH]1 1065556853 KHLTYCSICUIAQC-MWLCHTKSSA-N 320.353 -0.841 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)[C@H](COC)OC)CCO1 1065591530 RZYBBOJCABLOHZ-STQMWFEESA-N 314.382 -0.042 30 20 DBED C[C@H](N=c1cc[nH]c(C#N)n1)[C@@H]1CCN(C(=O)c2cnn[nH]2)C1 1065784646 BYDLUHFLYHNSNE-VHSXEESVSA-N 312.337 -0.149 30 20 DBED N#Cc1cncc(NCC2CC(NC(=O)Cn3cncn3)C2)n1 1067848759 UGDRRLVPQWKOBJ-UHFFFAOYSA-N 312.337 -0.053 30 20 DBED C[C@@H]1C[C@@H](N=c2cc[nH]c(C#N)n2)CN1C(=O)Cc1nc[nH]n1 1069143901 PJOSJJABWPRAIY-NXEZZACHSA-N 312.337 -0.468 30 20 DBED N#CCN1CCn2ncc(CNC(=O)[C@@H]3CCCNC3=O)c2C1 1069863963 RYCQXFSRGBSJII-GFCCVEGCSA-N 316.365 -0.635 30 20 DBED C#CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2cnccn2)C1 1069892195 MRTXQVASJUSYID-KGLIPLIRSA-N 311.349 -0.253 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)Cn2cncn2)CCOCC1 1070232652 OCDPCQJJHUKJEF-NSHDSACASA-N 320.353 -0.781 30 20 DBED C=CCOCC(=O)N[C@@H]1CCCN(C(=O)c2ncn(C)n2)C1 1070688973 GKFGAWSKDRNITB-LLVKDONJSA-N 307.354 -0.262 30 20 DBED CC(C)C#CC(=O)N1CCC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1 1070704298 MVVNLDJXUYZZDA-NEPJUHHUSA-N 306.366 -0.566 30 20 DBED C=CCN1C[C@H]2C[C@@H]3CN(C(=O)Cn4nccn4)C[C@@]3(C1)O2 1070806145 DOPVWSIXWNNQQW-UMVBOHGHSA-N 303.366 -0.234 30 20 DBED N#CCN1C[C@H]2C[C@@H]3CN(C(=O)Cn4ccnc4)C[C@@]3(C1)O2 1070897910 XGZBYEQTDSNAHN-UMVBOHGHSA-N 301.350 -0.292 30 20 DBED C[C@H]1CN(C(=O)c2cnc(O)n2C)C[C@]2(CCN(CC#N)C2)O1 1071198792 DXOBAHNKMALZGR-XHDPSFHLSA-N 319.365 -0.045 30 20 DBED C=CCN1CCN([C@@H]2CCCN(C(=O)c3nc[nH]n3)C2)C(=O)C1 1071275568 KLVIVRQYPYCJBC-GFCCVEGCSA-N 318.381 -0.261 30 20 DBED C#CCOCCC(=O)N[C@H]1CN(C(=O)CN(C)C(C)=O)C[C@@H]1C 1071662724 XLHUCCJQIHNFGP-JSGCOSHPSA-N 323.393 -0.532 30 20 DBED C=CCOCC(=O)N1C[C@H](C)[C@@H](NC(=O)CN(C)C(C)=O)C1 1071809463 VDWCGXTZRYMEQL-AAEUAGOBSA-N 311.382 -0.370 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)c2cc(=O)n(C)o2)C[C@H]1C 1071979575 WYSSUIJLSQGDIM-GHMZBOCLSA-N 323.349 -0.242 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)c2cc3n(n2)CCO3)C1 1073636749 GIEPGLWGPXGXAY-GFCCVEGCSA-N 304.350 -0.271 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)CCN3CCOCC3)C[C@@H]21 1074359307 DBQCXHPWEUXKEO-JKSUJKDBSA-N 321.421 -0.356 30 20 DBED COCC(=O)N1CCC(O)(CNC(=O)c2c[nH]c(C#N)c2)CC1 1074416125 DVCCRLXLOBNFLB-UHFFFAOYSA-N 320.349 -0.384 30 20 DBED C[C@@H]1C[C@@H](NC(=O)C#CC2CC2)CCN1C(=O)c1nnn(C)n1 1074984127 NWPVHKSYIKJZSH-PWSUYJOCSA-N 316.365 -0.267 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@]2(C)CCCS2(=O)=O)C1 1077824009 HOOWCSRUUZWNGT-BZPMIXESSA-N 314.407 -0.862 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3c[nH]nc3C2)C1 1078207779 BAEGTJXPAHRWHP-KCPJHIHWSA-N 302.378 -0.301 30 20 DBED Cn1cnn(CC(=O)N[C@@H]2C[C@H](NCC#N)C23CCC3)c1=O 1078662671 BLZSCDPSUXIOED-WDEREUQCSA-N 304.354 -0.878 30 20 DBED C#CCCCCC(=O)N1C[C@H](O)[C@H](CNC(=O)CNC(C)=O)C1 1081204090 DVNDYABFAVVYQV-KGLIPLIRSA-N 323.393 -0.748 30 20 DBED C=CCN1CC[C@@H](N2C[C@@H](NC(=O)C3CC3)[C@H](OC)C2)C1=O 1081257820 TXKKRCIYZXNGBC-MGPQQGTHSA-N 307.394 -0.001 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2cnccn2)C[C@@H]1O 1081343887 JDXVFAFZZXESAJ-YPMHNXCESA-N 320.349 -0.772 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H]1CN(C(=O)C=C(C)C)C[C@H]1O 1081417009 NBGIMRNMTNVNKM-QWHCGFSZSA-N 321.377 -0.972 30 20 DBED COc1cccnc1CC(=O)N[C@@H]1CN(CC#N)C[C@H]1OC 1082067558 RBAUSVBVKFHFPF-TZMCWYRMSA-N 304.350 -0.028 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)C[C@@H]2CCC(=O)NC2)C1 1083519975 QPTUHJPEZWNYNW-TUAOUCFPSA-N 315.801 -0.184 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](NC(=O)c2cccnc2C(N)=O)C1 1084082000 XAOHTRVKCDCCLP-OLZOCXBDSA-N 318.377 -0.078 30 20 DBED C#CCN1C[C@H]2CC[C@H]1[C@@H]1CN(C(=O)C3CS(=O)(=O)C3)C[C@@H]21 1087358906 NVMSEGRGGZDPBJ-BEAPCOKYSA-N 322.430 -0.167 30 20 DBED CCN(c1cncc(C#N)n1)[C@H](C)CNC(=O)Cn1cncn1 1089647687 JMLRHGLCBAAEHT-LLVKDONJSA-N 314.353 -0.029 30 20 DBED N#CCN1C[C@@H](NC(=O)c2nc[nH]n2)CC2(CCOCC2)C1 1089961143 CSGUTTJAFMSJJP-NSHDSACASA-N 304.354 -0.071 30 20 DBED N#Cc1nccc(N2C[C@@H](O)[C@H](NC(=O)CC(F)(F)F)C2)n1 1090377917 PAPJJULQDCUUON-HTQZYQBOSA-N 315.255 -0.034 30 20 DBED N#Cc1ccc(N[C@H]2C[C@@H](CNC(=O)Cn3cncn3)C2)nn1 1091345204 VYQLJLKAKJTHOP-KLPPZKSPSA-N 312.337 -0.053 30 20 DBED N#Cc1nccnc1N1CC[C@H](NC(=O)C#CC2CC2)[C@H](O)C1 1092150146 BOYCDWUMNCBUHZ-GXTWGEPZSA-N 311.345 -0.183 30 20 DBED CCC(=O)N[C@H](C)C(=O)N1CCN(c2cncc(C#N)n2)CC1 1093200550 PZDARZAMNFNHAP-LLVKDONJSA-N 316.365 -0.088 30 20 DBED CNC(=O)CC(=O)NC1[C@@H]2CN(c3nccnc3C#N)C[C@@H]12 1093242378 UHXVVQDLVRLKRQ-RKDXNWHRSA-N 300.322 -0.965 30 20 DBED Cc1cc(=NCCNC(=O)CN2CCCC2=O)c(C#N)c[nH]1 1093473778 ZMYQUGZVOCDJLZ-UHFFFAOYSA-N 301.350 -0.166 30 20 DBED CCc1nc(C#N)cc(NCCNC(=O)c2cnnn2C)n1 1093576561 JLZZTDIJJXOPIA-UHFFFAOYSA-N 300.326 -0.119 30 20 DBED CN1CC[C@H](CC(=O)NCCN=c2cc[nH]cc2C#N)C1=O 1093961258 WDLPAGXGJSAVQA-LLVKDONJSA-N 301.350 -0.228 30 20 DBED Cc1cc(C#N)nc(NCCNC(=O)[C@H]2CN(C)C[C@@H](C)O2)n1 1094226354 QMMULPWHCMIMPY-DGCLKSJQSA-N 318.381 -0.096 30 20 DBED C#CCCN1CC(N2C[C@@H](NC(=O)c3cn[nH]c3)CC2=O)C1 1094706849 GJOHIRFLOLNGMP-LBPRGKRZSA-N 301.350 -0.552 30 20 DBED Cn1c(C(=O)NCCCN=c2cc[nH]c(C#N)n2)cnc1O 1094707325 SSRPKSSTKHTQHS-UHFFFAOYSA-N 301.310 -0.559 30 20 DBED N#CCN1CC(N2C[C@H](NC(=O)c3ccc(C#N)[nH]3)CC2=O)C1 1094727898 QZIRGQABZIYTTE-LLVKDONJSA-N 312.333 -0.575 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)[C@]3(C)CCCOC3)CC2=O)C1 1094803834 PLPWGVRIDGKSAX-CXAGYDPISA-N 319.405 -0.162 30 20 DBED COC(=O)NCC(=O)NC[C@H](N=c1cc[nH]c(C#N)n1)C1CC1 1096582511 FEIOQZNLCWMPTO-JTQLQIEISA-N 318.337 -0.567 30 20 DBED N#Cc1cnc(N[C@@H](CNC(=O)Cn2ncnn2)C2CC2)cn1 1096730715 GINYLSIZTHGCFI-NSHDSACASA-N 313.325 -0.658 30 20 DBED N#CCSCC(=O)N[C@H]1C[C@@H](Nc2ccc3nnnn3n2)C1 1097151769 JEVVVIQPOCDWCE-DTORHVGOSA-N 318.366 -0.165 30 20 DBED N#Cc1ccc(N[C@H]2C[C@@H](NC(=O)CNC(=O)C3CC3)C2)nn1 1097155124 BDTJCDLOCPMPGB-TXEJJXNPSA-N 314.349 -0.066 30 20 DBED C[C@H](CC(N)=O)C(=O)N[C@H]1C[C@@H](N=c2cc[nH]c(C#N)n2)C1 1097239854 DQOFNDCPVZMTOG-BBBLOLIVSA-N 302.338 -0.659 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)Nc1cnc(C#N)cn1 1098213255 DYWLJVYFROJNTL-WPRPVWTQSA-N 303.326 -0.712 30 20 DBED C[C@@H](CNC(=O)CN1CCCNC1=O)Nc1ccc(C#N)nn1 1098420236 JTVSOQWADRFCIG-JTQLQIEISA-N 317.353 -0.320 30 20 DBED C=C(C)CN(CCO)C1CCN(C(=O)[C@H]2CNC(=O)N2)CC1 1098463923 WZDVKJIUQUCUNL-CYBMUJFWSA-N 310.398 -0.471 30 20 DBED CC(=O)NCC(=O)N1CC[C@H](CNc2ccc(C#N)nn2)C1 1098496684 TVBFPONWTPJBKI-LLVKDONJSA-N 302.338 -0.255 30 20 DBED C#CCCCC(=O)N[C@H]1CCN(CCn2cncn2)C[C@H]1O 1099803930 FSGFJDXCZPYIQY-UONOGXRCSA-N 305.382 -0.367 30 20 DBED C#CCOCCC(=O)N[C@H]1CCN(Cc2ccn(C)n2)C[C@H]1O 1099832091 APMHKIAUHVFSON-LSDHHAIUSA-N 320.393 -0.489 30 20 DBED C=CCCCC(=O)N[C@H]1CCN(CCS(C)(=O)=O)C[C@@H]1O 1099975684 GBCPVJGHWQLAKF-STQMWFEESA-N 318.439 -0.061 30 20 DBED CC#CCN1CC[C@@H](NC(=O)COC2CCN(C)CC2)[C@H](O)C1 1100050061 BLHDFVNABZSLRQ-HZPDHXFCSA-N 323.437 -0.328 30 20 DBED CCN1CCO[C@H](C(=O)NCCN(C)c2cncc(C#N)n2)C1 1100135208 KTHHSEAROMAZFM-ZDUSSCGKSA-N 318.381 -0.379 30 20 DBED CCN(CCNC(=O)[C@@H]1CCC(=O)N1)c1cnc(C#N)cn1 1100573433 YSOMUDHOPZCFGU-NSHDSACASA-N 302.338 -0.431 30 20 DBED C=C(C)CN(CC)C(=O)[C@H](C)NC1CC(CNC(=O)C(N)=O)C1 1100628476 KVRPXGMKZLXYEG-HIFPTAJRSA-N 324.425 -0.231 30 20 DBED CCN(CCNC(=O)[C@H]1CCCC(=O)N1)c1cncc(C#N)n1 1100641993 FVKCRIUFARHMIQ-GFCCVEGCSA-N 316.365 -0.041 30 20 DBED CCN(CCNC(=O)[C@@]1(C)CCNC1=O)c1cncc(C#N)n1 1100716483 ZIJKQQKUGHOCHG-HNNXBMFYSA-N 316.365 -0.183 30 20 DBED CNC(=O)NCCC(=O)NC[C@@H]1CN(CC#CCOC)C[C@H]1C 1101939277 KXJUWDNALJXCNT-ZIAGYGMSSA-N 324.425 -0.361 30 20 DBED Cc1cc(N2CC[C@H](N(C)C(=O)CNC(N)=O)C2)c(C#N)cn1 1102668345 JFPBQNCLAPZMHP-LBPRGKRZSA-N 316.365 -0.033 30 20 DBED CC(=O)NCC(=O)N[C@H]1CCCCN(c2nccnc2C#N)C1 1102838802 XHNPLZHITILKMT-LBPRGKRZSA-N 316.365 -0.041 30 20 DBED C#CCO[C@H](C)C(=O)NCC[C@@H]1CN(CC(=O)NC)C[C@H]1C 1102974311 WPJUVLNYMJOPMW-MGPQQGTHSA-N 309.410 -0.155 30 20 DBED CC[C@H](CNC(=O)[C@H](C)NC(N)=O)Nc1cncc(C#N)n1 1103046349 RLRUUAVIKKJEMD-DTWKUNHWSA-N 305.342 -0.288 30 20 DBED CC[C@@H](CNC(=O)CCn1cnnn1)Nc1cncc(C#N)n1 1103173997 XILAWPDXSBFVOH-JTQLQIEISA-N 315.341 -0.268 30 20 DBED CC[C@H](CNC(=O)CCc1cnn[nH]1)N=c1cc[nH]c(C#N)n1 1103316200 XUIMHQKWBALYRF-SNVBAGLBSA-N 314.353 -0.172 30 20 DBED CNC(=O)NC(=O)CNCC[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1C 1104004995 QEJIZKVBXXYZPT-IJLUTSLNSA-N 323.397 -0.324 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)[C@@H]1CCNC(=O)C1 1104506137 LBUVMQKVVCZTEB-GHMZBOCLSA-N 316.365 -0.445 30 20 DBED C#CCCNCC[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@H]1C 1104802085 AHHLBAORTQEVOU-CHWSQXEVSA-N 320.393 -0.364 30 20 DBED C=CC(C)(C)C(=O)N1CC(n2cc(CNCC(=O)NC)nn2)C1 1105297445 NNEQBLBYAPHGFT-UHFFFAOYSA-N 320.397 -0.291 30 20 DBED C#CCNC(=O)CC(=O)N(C)CCN(C)c1ncccc1C#N 1105369324 XQMIKIOOYSODCX-UHFFFAOYSA-N 313.361 -0.013 30 20 DBED C=CCO[C@@H](C)C(=O)NC[C@@H](O)CNc1nc[nH]c2ncnc1-2 1105892338 VQSMNHNAXUJYBQ-UWVGGRQHSA-N 320.353 -0.215 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)[C@H]2CCCOC2)C[C@H]1C 1105923466 AAMOESFFFNGBMW-QLFBSQMISA-N 321.421 -0.154 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)c2cn(C)cn2)C[C@H]1C 1106008499 SALUWEPCDFBGHN-CHWSQXEVSA-N 317.393 -0.533 30 20 DBED C#Cc1cncc(C(=O)NC[C@H](O)CNc2cnc(C#N)cn2)c1 1106099335 BFIHBVGGOIGILI-CQSZACIVSA-N 322.328 -0.073 30 20 DBED C#CCOCCC(=O)N1C[C@@H](C)[C@H](CNCC(=O)NC2CC2)C1 1106114608 FJJIEFRYKXPZBL-ZIAGYGMSSA-N 321.421 -0.011 30 20 DBED CNC(=O)C1(C(=O)N[C@@H](C)CCN=c2cc[nH]c(C#N)n2)CC1 1106384307 CICWXBFWGULVJE-JTQLQIEISA-N 316.365 -0.397 30 20 DBED C#CCNC[C@@H]1CN(C(=O)[C@@H](CCC)S(N)(=O)=O)C[C@H]1C 1106477185 HTHRGFIHCHAIPF-JHJVBQTASA-N 315.439 -0.239 30 20 DBED C=CCOCC(=O)N(CC)CCNc1ccc2nnnn2n1 1106716854 ADANDXJNQBCSFE-UHFFFAOYSA-N 305.342 -0.018 30 20 DBED C[C@]1(CNC(=O)CC2CC2)CN(CC(=O)NCC#N)CCO1 1107682595 WVJHKZDLLOJSQL-HNNXBMFYSA-N 308.382 -0.367 30 20 DBED C[C@H](CNc1cncc(C#N)n1)NC(=O)[C@@H]1CCCNC1=O 1107990213 PIMMIIWPQODGTM-MWLCHTKSSA-N 302.338 -0.209 30 20 DBED Cn1ccnc1COCC(=O)NC[C@]1(C)CN(CC#N)CCO1 1108015493 XBHMCTFXDKBJHI-OAHLLOKOSA-N 321.381 -0.333 30 20 DBED COCC#CCN1CCO[C@@](C)(CNC(=O)[C@@H]2CCN(C)C2)C1 1108395413 RTSZPPJGBAFWBG-WBVHZDCISA-N 323.437 -0.205 30 20 DBED C[C@@H](CNc1ccc(C#N)nn1)NC(=O)[C@H]1CCCC(=O)N1 1108571080 UAKZGOFVLODVBW-GXSJLCMTSA-N 302.338 -0.066 30 20 DBED CC(=O)N(C)CC(=O)N[C@@H](C)CN(C)c1ccnc(C#N)n1 1108827339 LVQCGFSKFWJQJK-JTQLQIEISA-N 304.354 -0.233 30 20 DBED C=CCOCCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CS(C)(=O)=O 1109013511 PKYLWSWKHKBGFX-AGIUHOORSA-N 316.423 -0.045 30 20 DBED N#Cc1c[nH]ccc1=NC1(CNC(=O)[C@H]2CCCNC2=O)CC1 1110257228 GYOYWMMZLRZEQQ-LBPRGKRZSA-N 313.361 -0.038 30 20 DBED C[C@H]1C[C@@H](N=c2cc[nH]c(C#N)n2)CCN1C(=O)CNC(N)=O 1110508163 WSVKRGREGMSSCA-UWVGGRQHSA-N 317.353 -0.770 30 20 DBED C#CCOCCC(=O)NC[C@]1(O)CCN(c2nccnc2F)C1 1111099058 ZTLQTHLJHYIJDT-OAHLLOKOSA-N 322.340 -0.287 30 20 DBED CC(=O)NCC(=O)N1C[C@@H]2CN(c3ccc(C#N)cn3)C[C@@H]2C1 1111286318 FVOKEDSMPVSTIB-OKILXGFUSA-N 313.361 -0.016 30 20 DBED CCC(=O)NCC(=O)N(CCO)CCNc1nccnc1C#N 1111429706 XHTRBXSEEGRMHP-UHFFFAOYSA-N 320.353 -0.893 30 20 DBED COC(=O)NCC(=O)N1C[C@H](C)OC2(CCN(CC#N)CC2)C1 1111537171 QVQMCHYXSIJZDN-LBPRGKRZSA-N 324.381 -0.052 30 20 DBED C#CCNC(=O)CC(=O)N1CCN(C[C@H]2C[C@]23CCOC3)CC1 1112777535 BIQGHSIDBBJNPU-PBHICJAKSA-N 319.405 -0.303 30 20 DBED CC(=O)NCC(=O)N1CCC[C@H]1CN(C)c1nccnc1C#N 1112778909 YDMOAGHWTYAGPF-LBPRGKRZSA-N 316.365 -0.088 30 20 DBED CN(C[C@@H]1CCCN1C(=O)CNC(N)=O)c1ccnc(C#N)n1 1112779679 GQSVFJFBGOLBAK-JTQLQIEISA-N 317.353 -0.556 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)[C@H](C)N=c1cc[nH]cc1C#N 1112979277 UXGZXYADWFPKOR-RYUDHWBXSA-N 313.361 -0.180 30 20 DBED CCc1nc(C#N)cc(N(C)[C@H](C)CNC(=O)CNC(N)=O)n1 1113509601 ZPSDVRUBVMTOCM-SECBINFHSA-N 319.369 -0.480 30 20 DBED CC(=O)N1CC(C(=O)NC[C@@H](C)N(C)c2ccc(C#N)nn2)C1 1113579277 JSASWGAHGXSKDS-SNVBAGLBSA-N 316.365 -0.233 30 20 DBED C[C@@H](CC(N)=O)C(=O)NC[C@H](C)N(C)c1ccnc(C#N)n1 1113799466 GPDBPJZPQMQWNS-UWVGGRQHSA-N 304.354 -0.199 30 20 DBED N#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)CCOCC3CC3)[C@H]2C1 1114275851 OBBOCKBYILRTGY-VIKVFOODSA-N 320.393 -0.511 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)c3c[nH]nc3C)[C@H]2C1 1114652692 RSLSPIMZELFREJ-DRZSPHRISA-N 315.377 -0.484 30 20 DBED CC(=O)NCC(=O)N1C[C@H](CN=c2cc[nH]c(C#N)n2)C[C@H]1C 1114659214 FKHGHHZAFABDIW-PWSUYJOCSA-N 316.365 -0.445 30 20 DBED C[C@@H]1CCO[C@@H]1C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1114856138 HGLVURGCKLQQAB-FQEAEBOJSA-N 306.366 -0.902 30 20 DBED COCC#CCN1C[C@@H]2C(NC(=O)c3c[nH]c(C(N)=O)c3)[C@H]2C1 1115243084 IMQNOKJLRYRKOK-RYUDHWBXSA-N 316.361 -0.577 30 20 DBED C=CCCOCC(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC=C)C[C@@H]21 1115324193 MJTABWVIGYUTAB-VIKVFOODSA-N 307.394 -0.072 30 20 DBED C=CCN1C[C@H]2C(NC(=O)CCNC(=O)[C@@H]3CCCO3)[C@@H]2C1 1115349967 KXOKDZRWDOVUFL-UPJWGTAASA-N 307.394 -0.096 30 20 DBED N#CCCn1ccc(NC(=O)C(=O)NCC(F)(F)CO)n1 1116614487 IHDSBTOJIZYONF-UHFFFAOYSA-N 301.253 -0.521 30 20 DBED C#CCN(C(=O)C(=O)NCC(C)(C)NS(C)(=O)=O)C(C)C 1119690648 APTHWOWQSKLLNR-UHFFFAOYSA-N 317.411 -0.699 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CC2(CC(NC(=O)COC)C2)C1 1120488978 HKWBGSQBQWUCBK-MPXNVAGNSA-N 307.394 -0.212 30 20 DBED Cc1nn(C)cc1C(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1 1121213103 MFSVMBLJAASIOP-SNVBAGLBSA-N 315.337 -0.985 30 20 DBED CC(C)COCCC(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1 1121223101 SUYDOKRXSQMXHO-GFCCVEGCSA-N 321.381 -0.278 30 20 DBED CC[C@@H](C(=O)NC[C@H](CO)Nc1cnc(C#N)cn1)N(C)C 1121812102 KBKYYXBXOOQHLD-NEPJUHHUSA-N 306.370 -0.423 30 20 DBED CN(C)CCCC(=O)NC[C@@H](CO)Nc1nccnc1C#N 1122416938 QINNHCJDWDVPEZ-NSHDSACASA-N 306.370 -0.421 30 20 DBED CN(C[C@@H](O)CNc1ccc(C#N)nn1)C(=O)c1cnsn1 1124091060 OLZGZTKWUGIYOI-VIFPVBQESA-N 319.350 -0.255 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]cc1C#N)C(=O)c1cnn(C)n1 1124415094 QYUTZOUCYIYIKF-NSHDSACASA-N 315.337 -0.951 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C[C@H](O)CN=c1cc[nH]c(C#N)n1 1124520292 RHPRUHWOFWKMJL-VXGBXAGGSA-N 317.349 -0.960 30 20 DBED CC(C)(C)C#CC(=O)NCCNCC(=O)NC[C@H]1CCOC1 1126915400 AUNILKGXRJWIGY-CYBMUJFWSA-N 309.410 -0.106 30 20 DBED CO[C@H](C)CCC(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1 1128903303 MQZMRZQYJWIKPT-UPJWGTAASA-N 306.370 -0.042 30 20 DBED C[C@H](O)CN1C[C@H](n2ccnn2)[C@H](NC(=O)C#CC2CC2)C1 1128985975 ZXAJHAOZJLJSJT-YUTCNCBUSA-N 303.366 -0.586 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1c(C)ccc2n[nH]cc12 1130601514 DZXKLMBVRDRVHL-UHFFFAOYSA-N 313.361 -0.060 30 20 DBED C[C@H]1CC[C@@H](NC(=O)Cc2cc[nH]n2)CN1CC(=O)NCC#N 1131931756 XMFYEQFMPWBCPW-WCQYABFASA-N 318.381 -0.439 30 20 DBED C#CCNC[C@H]1CN(C(=O)C2CC(=O)NC(=O)C2)CC[C@@H]1C 1133165195 CRHACRALRROXKR-AAEUAGOBSA-N 305.378 -0.253 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)C[C@H](C)NCC(=O)NC1CC1 1134130295 FWJDAACOXAKUMW-NWDGAFQWSA-N 322.409 -0.723 30 20 DBED CC(C)[C@@H]1C[C@H](C(=O)NCCNCC(=O)NCC#N)CCO1 1146768571 DNMDEDBHVXSAMV-OLZOCXBDSA-N 310.398 -0.217 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@@H](C)Oc1ccccn1 1148122887 YUSKAIFZKSNXKU-QWHCGFSZSA-N 318.377 -0.307 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)C[C@@](C)(O)C=C 1153018391 BBTWPAHCQGBGIG-CJNGLKHVSA-N 309.410 -0.111 30 20 DBED CC(=O)NCCOCCNCCCNC(=O)c1cc(C#N)c[nH]1 1156282137 NLLGATSNSSFUOO-UHFFFAOYSA-N 321.381 -0.251 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)CCNC(=O)NC 1157508539 PDZGEWGGXGHIPP-NSHDSACASA-N 313.402 -0.908 30 20 DBED C=CCN1CC[C@@H](NCCCC[C@@H](C)NC(=O)C(N)=O)C1=O 1175024056 XAYHMUOZCBONJY-VXGBXAGGSA-N 310.398 -0.477 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@@H](C(C)C)N1CCCC1 1176997600 SXLPBHMOJSIJRB-MRXNPFEDSA-N 322.453 -0.048 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)CCOCCOC)C[C@@H]21 1177161755 GQFHCZAGBHCNKR-GJZGRUSLSA-N 310.394 -0.026 30 20 DBED COCC#CCNCCCNC(=O)c1c(OC)ncnc1OC 1177450987 CVRSHUUPJXOQHH-UHFFFAOYSA-N 322.365 -0.147 30 20 DBED C#CCNC(=O)CNCCCCCCNC(=O)Cn1ccnc1 1180470100 IPWPRHZPXDHNSJ-UHFFFAOYSA-N 319.409 -0.101 30 20 DBED CCO[C@H](C(=O)N1CC[C@@H](NCC(=O)NCC#N)C1)C(C)C 1182467196 XCWVPOFRSPZPMD-OCCSQVGLSA-N 310.398 -0.122 30 20 DBED C=CCC[C@@H](C)N[C@@H]1CCN(C(=O)CNS(=O)(=O)NC)C1 1184619077 MTZHIXFVMQTZTC-VXGBXAGGSA-N 318.443 -0.415 30 20 DBED O=C1NC[C@H](C(=O)N2CC[C@@H](NCC#Cc3ccccc3)C2)N1 1185257230 OVGREERSQSVXBD-HUUCEWRRSA-N 312.373 -0.090 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)CCCN(C)C)C1 1185264803 GZELGWNLAAMXEH-ZIAGYGMSSA-N 308.426 -0.343 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(CC(=O)N[C@@H](C)CC)C[C@H]1O 1192503617 GUSJIKBAQPKMRD-BFHYXJOUSA-N 309.410 -0.134 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@H]1CCN(C(=O)c2ccncn2)C1 1192948229 QPSASVTURRQYRN-STQMWFEESA-N 315.377 -0.239 30 20 DBED C=CCNC(=O)[C@@H](C)N(C)[C@H]1CCN(C(=O)c2cnon2)C1 1192989727 YFIRZJOQSSVGEL-MNOVXSKESA-N 307.354 -0.093 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)CCCCC(N)=O)C1 1193339752 PQKSFGWUQFJEBG-CYBMUJFWSA-N 324.425 -0.133 30 20 DBED CN(CC(=O)NCC#N)[C@@H]1CCN(C(=O)C23CCN(CC2)C3)C1 1193468918 KHOLWSCWUCFSIC-CYBMUJFWSA-N 319.409 -0.745 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCCN(C(=O)CC(=O)NC)CC1 1195620294 LQRDBUBBHSPLMZ-GFCCVEGCSA-N 310.398 -0.653 30 20 DBED C=CCC1(C(=O)N[C@@H]2CN(CC(=O)N(C)C)C[C@H]2O)CCC1 1195896888 FBFNPIHRLQFDAH-CHWSQXEVSA-N 309.410 -0.018 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)C(=O)Nc2cc(C)on2)C1 1198646234 YOGDSAVUZRABPP-GHMZBOCLSA-N 306.322 -0.894 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)CCn2cncn2)CC1 1199346300 PZTDZZVKTBCGHU-UHFFFAOYSA-N 320.397 -0.449 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC(NCc2nncn2C)CC1 1200495905 YJADIOIVBAHSLU-GFCCVEGCSA-N 305.382 -0.066 30 20 DBED COCC#CCNC1CCN(C(=O)C2CC(=O)NC(=O)C2)CC1 1202926121 PGNSNMSQMHOGOW-UHFFFAOYSA-N 321.377 -0.730 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)CC(=O)NC)[C@H](C)C1 1206900799 SMZYIHCGKRVUBP-IJLUTSLNSA-N 310.398 -0.750 30 20 DBED N#CCSCC(=O)N1CCC[C@H](NCCOCCO)C1 1207409025 BUOMNBKUNUDZBO-LBPRGKRZSA-N 301.412 -0.167 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@@H](NCc2ncnn2C)C1 1207870006 OHEUBMOUNUSNOZ-GFCCVEGCSA-N 318.381 -0.965 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)c2nccc(C)n2)C1 1207928282 NTUTUIPYWXQCGZ-ZDUSSCGKSA-N 315.377 -0.271 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCC[C@H](NCCOCCO)C1 1207951650 WCCUGTZTLBDOKJ-ZFWWWQNUSA-N 300.399 -0.097 30 20 DBED C#CCCN[C@H]1CCCN(C(=O)[C@@H](C)NS(=O)(=O)CC)C1 1208108897 DEXMNGUQPWMTEG-OLZOCXBDSA-N 315.439 -0.082 30 20 DBED COCC#CCN[C@@H]1CCCN(C(=O)CCn2cnnn2)C1 1210282488 HCDQWCCCGBEWED-CYBMUJFWSA-N 306.370 -0.706 30 20 DBED CC[C@H](C(=O)N[C@@H]1CN(CC#N)C[C@H]1OC)N1CCCC1=O 1213882329 RTYCRWOXIHMFKZ-JHJVBQTASA-N 308.382 -0.274 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(Cc2nccc(C)n2)C[C@@H]1O 1219361754 CUSHMPNVKAUMSA-OLZOCXBDSA-N 306.366 -0.351 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)C2(C3CC3)CC2)C1 1219851580 WCOWKPRIQRINFO-YUTCNCBUSA-N 319.405 -0.524 30 20 DBED C=CCC1(C(=O)N[C@@H]2CN(CCOCCO)C[C@@H]2O)CCC1 1220293884 XYFYERAWBKLCDG-KGLIPLIRSA-N 312.410 -0.097 30 20 DBED CC(C)C[C@H](C)C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@@H]1O 1220626454 JRIWWRXXBLXSGK-XQQFMLRXSA-N 310.398 -0.530 30 20 DBED C#CCOCCC(=O)NCC1CCN(CC(=O)NC(N)=O)CC1 1223156073 IVXOPSWGTIUACS-UHFFFAOYSA-N 324.381 -0.951 30 20 DBED CN1CC[C@@H](CC(=O)NC2CCN(CC(=O)NCC#N)CC2)C1 1230035820 XGVYABBOGIUPEK-ZDUSSCGKSA-N 321.425 -0.451 30 20 DBED CC(C)(F)C(=O)NCC[C@H]1CN(CC#N)CCS1(=O)=O 1230406468 NMXBJIMQRXGECF-JTQLQIEISA-N 305.375 -0.137 30 20 DBED C#CCNC(=O)CN(C)CCCNC(=O)Cn1cc(C)cn1 1234623366 WKZXSZTUBKGDKP-UHFFFAOYSA-N 305.382 -0.621 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCC[C@@H](C(=O)NC2CC2)C1 1260310073 SQQVEJWMQZPXCL-GFCCVEGCSA-N 321.377 -0.730 30 20 DBED C#CCCCC(=O)N[C@]1(CO)CCCN(C[C@H](O)COC)C1 1271958782 OJMOUOVJUFQRIT-GOEBONIOSA-N 312.410 -0.260 30 20 DBED C[C@]1(CO)CCCN(C(=O)C(=O)Nc2cnn(CC#N)c2)C1 1319433252 HYHIROYHRUKZAI-AWEZNQCLSA-N 305.338 -0.034 30 20 DBED N#CC1(NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)CCSCC1 1320198614 XHCNUAZMUTVJLX-UHFFFAOYSA-N 318.362 -0.023 30 20 DBED C[C@@H](C#N)CN(C)C(=O)C(=O)Nc1ccn(CC(=O)N(C)C)n1 1320574918 XDNTURFCKUTSSP-JTQLQIEISA-N 320.353 -0.472 30 20 DBED C=CCNC(=O)[C@H](C)[S@](=O)C[C@H](NC(C)=O)C(=O)OC 1321861375 QQCMTAZERSHOLP-JNMGVNSFSA-N 304.368 -0.897 30 20 DBED CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2CCO[C@H](C#N)C2)C1 1325153953 RTLAESRCSGBDPC-QWHCGFSZSA-N 308.382 -0.322 30 20 DBED CCN1CCCN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)CC1 1328424305 ACWMCZVNWVSUJE-OAHLLOKOSA-N 308.382 -0.582 30 20 DBED COc1cc(F)cc(NC(=O)C(=O)NCC(=O)NCC#N)c1 1329190133 HFISMUKHYSIDPW-UHFFFAOYSA-N 308.269 -0.471 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)C(=O)NCc2cccc(O)c2)C1 1332193163 GCKSACACXOJGPQ-OAHLLOKOSA-N 303.318 -0.115 30 20 DBED C#CCN1CCN(C(=O)c2ccnc3c(C(=O)O)cnn23)CC1 1332202551 KMLLAXFEUFUDOI-UHFFFAOYSA-N 313.317 -0.182 30 20 DBED C[C@H](NC(=O)C(=O)N1CCC[C@@H](C#N)C1)[C@@H](C)N1CCOCC1 1332670710 YGFWAQMVIVJUGN-MJBXVCDLSA-N 322.409 -0.026 30 20 DBED COCCCN(CC(=O)NCC#N)[C@H]1CCS(=O)(=O)C1 1335030627 HCAJOMNIRBGPID-NSHDSACASA-N 303.384 -0.848 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N(CC)CCC(=O)NC 1336132115 MXGSEMWLUYSXRI-GFCCVEGCSA-N 311.382 -0.484 30 20 DBED O=C(NCC#Cc1ccccc1)C(=O)N1CCOC[C@H]1CCO 1340460786 QESJMMSNZFOHIK-OAHLLOKOSA-N 316.357 -0.236 30 20 DBED N#C[C@@]1(NC(=O)c2ccnc3c(C(N)=O)cnn23)CCSC1 1341476754 ZGRRSQWZVSDGSE-ZDUSSCGKSA-N 316.346 -0.043 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCCc2nccn2C)C1=O 1347514809 QTOOOJQKDRZTBS-UHFFFAOYSA-N 319.321 -0.944 30 20 DBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC(=O)N(C)C1 1347551280 KAODHGHKBLVILO-LOWVWBTDSA-N 309.366 -0.569 30 20 DBED C[C@@]1(NC(=O)CCn2cc(C#N)c(O)nc2=O)CCOC1=O 1362518877 PBQFVMRSECGSEJ-CYBMUJFWSA-N 306.278 -0.968 30 20 DBED N#Cc1cn(CC(=O)N2CCOc3ccncc32)c(=O)nc1O 1362633620 LFVJVYZRVSWSRO-UHFFFAOYSA-N 313.273 -0.359 30 20 DBED C[C@H](CO)C1CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)CC1 1363872611 KTPALXJJSGAHDD-SNVBAGLBSA-N 320.349 -0.312 30 20 DBED N#CC1(CNC(=O)NCc2nnc3c(=O)[nH]ccn23)CCC1 1364675919 PNSVOPMKWDZEPV-UHFFFAOYSA-N 301.310 -0.089 30 20 DBED CC(C)n1cnc(C(=O)NC[C@H](O)CNC(=O)[C@H](C)C#N)c1 1376658811 TUEYFADFKBMHBP-GHMZBOCLSA-N 307.354 -0.169 30 20 DBED COC(=O)NCC(=O)N(C)[C@H](CNC(=O)[C@@H](C)C#N)C1CC1 1383600752 RWCRQQBCRRQHKG-GXSJLCMTSA-N 310.354 -0.145 30 20 DBED CCCS(=O)(=O)CC(=O)N[C@@H](C)CNC(=O)[C@H](C)C#N 1386458138 RGNYGXBLUUFMEI-ZJUUUORDSA-N 303.384 -0.408 30 20 DBED C[C@H](C#N)C(=O)NCCN(C)C(=O)[C@@H]1CCCc2nn[nH]c21 1387082006 ONLFTGLPYREXFK-NXEZZACHSA-N 304.354 -0.041 30 20 DBED C[C@@H](C#N)C(=O)NCC1CN(C(=O)[C@H]2CCCC(=O)N2C)C1 1387926555 TYQWDAKDKJWORW-CMPLNLGQSA-N 306.366 -0.268 30 20 DBED C[C@H](C#N)C(=O)NC1CN(C(=O)[C@H]2CCCS(=O)(=O)C2)C1 1389402356 LBDMVZXVJYLLSW-ZJUUUORDSA-N 313.379 -0.702 30 20 DBED CC[C@@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)CN(C)C(C)=O 1398947124 BCVKXZCAYJVQFG-LBPRGKRZSA-N 319.365 -0.011 30 20 DBED COCCN(CCNC(=O)[C@@H](C)C#N)C(=O)Cn1ccc(C)n1 1405762004 OWFJBOGTRDAUAR-LBPRGKRZSA-N 321.381 -0.058 30 20 DBED C[C@H](C#N)C(=O)N(CCNC(=O)CCn1cncn1)C1CC1 1415839438 XLQLUUCFPYJEQU-LLVKDONJSA-N 304.354 -0.065 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1n[nH]c2c1CCCC2 1416777425 GOPRCMRRHODTII-UWVGGRQHSA-N 319.365 -0.345 30 20 DBED C[C@H](CNC(=O)CCc1nc[nH]n1)NC(=O)c1ccc(C#N)[nH]1 1428568149 RBZHHWLPSWLHGF-SECBINFHSA-N 315.337 -0.128 30 20 DBED CC(=O)N(C)CC(=O)NC[C@H](C)N(C)C(=O)c1c[nH]c(C#N)c1 1449828618 UNROXYLRVUNLKF-JTQLQIEISA-N 319.365 -0.059 30 20 DBED CC(C)S(=O)(=O)CC(=O)NC[C@@H](C)CNC(=O)[C@@H](C)C#N 1451579460 BWUIQWMUQQHBBU-MNOVXSKESA-N 317.411 -0.162 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)c2ccc(O)nn2)C1 1454070497 UTCLDGDBBKGDJM-LKFCYVNXSA-N 319.321 -0.965 30 20 DBED CCOc1ccc(C(=O)NC[C@H](O)CNC(=O)[C@@H](C)C#N)cn1 1457995503 GLVOKSDOTNISCP-CMPLNLGQSA-N 320.349 -0.153 30 20 DBED COC(=O)c1ncccc1S(=O)(=O)N1CCO[C@H](C#N)C1 1474932555 JKMSTHIZSMFOIH-SECBINFHSA-N 311.319 -0.219 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)CCN2CCCC2=O)C1 1494052193 CYOQVPCPJXXEFC-IJLUTSLNSA-N 306.366 -0.078 30 20 DBED CCC[C@@H](NC(=O)Cn1cc(C#N)c(O)nc1=O)c1cnn[nH]1 1576360410 VJRGTXIUBTVVIN-SECBINFHSA-N 317.309 -0.404 30 20 DBED C=C(C)C[C@@H](NS(=O)(=O)N1CCO[C@@H](C#N)C1)C(=O)O 1588555756 RJBRJCKGNILRDE-VHSXEESVSA-N 303.340 -0.535 30 20 DBED C=C(C)Cn1nnnc1N1CCN([C@@]2(C(=O)O)CCOC2)CC1 1588599249 KODDBIVQKPCDEM-AWEZNQCLSA-N 322.369 -0.385 30 20 DBED CN(C)CC#CCNC(=O)CNc1ccc(-c2nn[nH]n2)cc1 1591012587 XHPLNHYOXRHLFH-UHFFFAOYSA-N 313.365 -0.040 30 20 DBED O=C(C#CC1CC1)N[C@H]1C[C@@H](N=c2cc[nH]c(-c3nn[nH]n3)n2)C1 1592767605 FPGXTHCYRVMAFT-PHIMTYICSA-N 324.348 -0.449 30 20 DBED CN1CCN(C(=O)Cc2ccc(C#N)nc2)C[C@H](C(=O)O)C1 1598607983 WWRNUVIPYQAYGE-GFCCVEGCSA-N 302.334 -0.029 30 20 DBED Cn1cnn(CC(=O)OCc2cccc(C(=O)O)c2C#N)c1=O 1600995351 JZNBJGWMJSHETN-UHFFFAOYSA-N 316.273 -0.105 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3C[C@@H]3C(=O)O)C2)[nH]1 1601093656 WTMOFXUGQILSJX-VLEAKVRGSA-N 316.317 -0.016 30 20 DBED C[C@@H](C(=O)N1CC(n2cc(C(=O)O)nn2)C1)n1cnc(C#N)n1 1603141200 XXMJJCCIPAOSJH-ZETCQYMHSA-N 316.281 -0.916 30 20 DBED N#CCC(=O)N1CCN(C(=O)[C@H]2CO[C@@H](CCC(=O)O)C2)CC1 1605582206 VZDZPAOXQLDJMG-NEPJUHHUSA-N 323.349 -0.159 30 20 DBED N#CCN(CC(=O)O)C(=O)c1cc(S(N)(=O)=O)ccc1F 1608184130 QWFMPOLJFQPAPH-UHFFFAOYSA-N 315.282 -0.477 30 20 DBED N#CCNC(=O)CNC[C@H]1CCCN1C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 1699759004 OXTJFDBLSXKVOX-SYQHCUMBSA-N 320.393 -0.226 30 20 DBED CNC(=O)NCC(=O)N[C@H]1CC12CCN(CC#CCOC)CC2 1752424918 ABBZVKTZIINOFN-ZDUSSCGKSA-N 322.409 -0.464 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)N[C@H]1C[C@H](NCCCO)C1 1752687343 NBXZWGZATIZDOJ-HAQNSBGRSA-N 312.414 -0.131 30 20 DBED C#CCN1CCN(CCN(C)C(=O)c2n[nH]c(C)c2O)CC1 1753342143 MPVMEDWINUPQTI-UHFFFAOYSA-N 305.382 -0.253 30 20 DBED C[C@@H](C(=O)N(C)[C@H]1CCN(CC(=O)NCC#N)C1)n1cccn1 1753429391 GNZDVZZXQLDVNH-STQMWFEESA-N 318.381 -0.383 30 20 DBED C[C@@H](CNCC(=O)NCC#N)N(C)C(=O)c1csc(O)n1 1753709096 RSXBYOFYPWYJJT-QMMMGPOBSA-N 311.367 -0.461 30 20 DBED C=CCCn1cc(C(=O)N[C@H](C)CCN[C@H]2CCNC2=O)nn1 1754017205 RMVXVMKKDFNCQX-NEPJUHHUSA-N 320.397 -0.159 30 20 DBED C=C(Cl)CNCCN(CC)C(=O)Cn1cnc(C(N)=O)n1 1754046168 RHVFOOHHPXMGMG-UHFFFAOYSA-N 314.777 -0.432 30 20 DBED C#CCNC(=O)CNC[C@@H](NC(=O)C12CCN(CC1)C2)C1CC1 1754457802 RMSQSBHRXSEGQX-CQSZACIVSA-N 318.421 -0.684 30 20 DBED C#CCNC(=O)CNC1(CNC(=O)C[C@H]2CCN(C)C2)CC1 1754531841 QKMMKHUCLRHZKL-CYBMUJFWSA-N 306.410 -0.684 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C1CN([C@@H]2CCN(CC)C2=O)C1 1754575703 YTWDOAOVUGXOCU-TZMCWYRMSA-N 307.394 -0.212 30 20 DBED CNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)C#CC2CC2)[C@H](C)C1 1754591934 AZLVKBBUPQZZQN-DGCLKSJQSA-N 320.393 -0.176 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC[C@H]1CNCCN1CCNC1=O 1754609773 OKIOJSCWPPNLNE-KBPBESRZSA-N 322.409 -0.370 30 20 DBED C=CCn1cc(C(=O)N[C@]2(CO)CCCN(CC#N)C2)nn1 1754858753 HYKGBLDGARHLTR-CQSZACIVSA-N 304.354 -0.456 30 20 DBED C#CCNC(=O)CN[C@@H](C)CN(C)C(=O)c1c(C)nn(C)c1C 1755599046 QJFLORWECCGSPE-NSHDSACASA-N 319.409 -0.164 30 20 DBED C#CCNC(=O)CN[C@H](CO)CNC(=O)c1ccccc1Cl 1755644914 HGZPLOPFPFVXQS-NSHDSACASA-N 323.780 -0.230 30 20 DBED C#CCN1CCC[C@H](NC(=O)CN(C)S(=O)(=O)CC)[C@@H]1C 1755722988 UIJKBLCHAFOQOS-STQMWFEESA-N 315.439 -0.130 30 20 DBED C=CCNC(=O)[C@@H](C)NC[C@H](O)CN(C)C(=O)c1cnccn1 1755771227 IKQRDBHAEFYULN-NEPJUHHUSA-N 321.381 -0.810 30 20 DBED CN(C[C@H](O)CNCC#N)C(=O)C[C@H]1NC(=O)c2ccccc21 1755792129 QVAPCZTVJDDAHS-BXUZGUMPSA-N 316.361 -0.206 30 20 DBED C=CCCN1CC=C(CNC(=O)Cn2ncn(C)c2=O)CC1 1755889531 LJTIFWRAJFYVKO-UHFFFAOYSA-N 305.382 -0.094 30 20 DBED C=C[C@@](C)(O)CC(=O)N(C)[C@@H](C)CNC(=O)CCn1ccnn1 1756020294 JCRMEKDGBYIWBL-SWLSCSKDSA-N 323.397 -0.042 30 20 DBED C=C[C@@](C)(O)CC(=O)N(C)[C@@H](CNC(=O)CC(N)=O)C1CC1 1756408675 DVSUFFAPTGNHOG-XHDPSFHLSA-N 311.382 -0.458 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H](CO)CNC(=O)c1ncoc1C 1756508684 ZWEOAFAWUYPOFO-GHMZBOCLSA-N 311.338 -0.219 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H](O)CN(C)C(=O)c1[nH]ccc1C 1756660887 OFGUIFBRHBWBDU-STQMWFEESA-N 321.377 -0.089 30 20 DBED C=CCOCC(=O)N1CC[C@H](NC(=O)c2cnccn2)[C@@H](O)C1 1757560754 ZEWKVFQFZJHVOV-AAEUAGOBSA-N 320.349 -0.629 30 20 DBED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ncon1)CCO2 1785423924 IUOFKHBGAQNWIQ-HNNXBMFYSA-N 318.333 -0.074 30 20 DBED C#CCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1C[C@H](O)CN1)C2 1804185420 MEZWRCVAVDXAIX-AICCOOGYSA-N 319.405 -0.239 30 20 DBED CC(C)(NCCC#N)C(=O)N1CCCC12CN(C(=O)CN)C2 1842919778 YBVBELHWUMWFIK-UHFFFAOYSA-N 307.398 -0.570 30 20 DBED C[C@@H](S)C(=O)N1CCCC12CN(C(=O)c1cnnn1C)C2 1846367007 SYOKGWYSDIIZPH-SECBINFHSA-N 309.395 -0.050 30 20 DBED CNC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cc2)CCO1 272732067 FGPPWUUUACIVMJ-LBPRGKRZSA-N 309.347 -0.306 30 20 DBED Cc1ccnc(N2CCN(C(=O)Cn3cnnn3)CC2)c1C#N 273383239 TXOPCPABDXCFSL-UHFFFAOYSA-N 312.337 -0.403 30 20 DBED CCOc1ccc(C#N)cc1NC(=O)C(=O)N(CCO)CCO 275336754 WXRSTBUHLVHROK-UHFFFAOYSA-N 321.333 -0.291 30 20 DBED N#Cc1ccc(CS(=O)(=O)NC[C@@H]2CC(C(N)=O)=NO2)cc1 289251237 UKCOSSJJDTZRAI-NSHDSACASA-N 322.346 -0.392 30 20 DBED C=CCCOCCNC(=O)C(=O)N(CCO)C1CCOCC1 289393607 MDZNHUZOEDCRTP-UHFFFAOYSA-N 314.382 -0.305 30 20 DBED CN(C)c1cc(C#N)cc(C(=O)NCCNS(C)(=O)=O)c1 292481578 DGXWYGVEIPONFG-UHFFFAOYSA-N 310.379 -0.097 30 20 DBED O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1C/C(O)=N/CCn1ncnn1 328754518 OETNXLOYVOEHOV-GAIPPQHRSA-N 316.321 -0.563 30 20 DBED CC1(C)CN(/C(O)=N/C[C@H]2COCCO2)CCS1(=O)=O 329796807 HCGXQVZKZMMKHZ-JTQLQIEISA-N 306.384 -0.175 30 20 DBED C[C@H](CS(C)(=O)=O)N(C)/C(O)=N/C[C@@H]1CN(C)CCO1 330720386 BNSAXPVJIHCDGS-GHMZBOCLSA-N 307.416 -0.404 30 20 DBED CCN1CCN(S(=O)(=O)N(CC)C[C@@H](C)C#N)CC1=O 336947489 PGAYJCAWSZKDRH-NSHDSACASA-N 302.400 -0.123 30 20 DBED C=CCNC(=O)CN1CCN(CCN2CCOC[C@H]2C)CC1 337143527 YOFUUMVVFQDTLZ-OAHLLOKOSA-N 310.442 -0.373 30 20 DBED N#CCNC(=O)CNC(=O)NCCNC(=O)CC1CCCC1 344635084 UXJNURGJJSOWSN-UHFFFAOYSA-N 309.370 -0.378 30 20 DBED C=CCOC[C@H](NC(=O)[C@@H]1CC[C@@H](C(=O)OC)O1)C(=O)OC 356338887 JUDDWYXLZDZKPE-DCAQKATOSA-N 315.322 -0.433 30 20 DBED C=CCN(CCOC)C(=O)C(=O)Nc1ccn(CCOC)n1 362022040 FAYZMNDILMJOAC-UHFFFAOYSA-N 310.354 0.129 30 20 DBED CCNC(=O)N1CCN(S(=O)(=O)N(C)[C@H](C)CC#N)CC1 407978269 YFEQPZOQGHZKKO-LLVKDONJSA-N 317.415 -0.188 30 20 DBED CCOC(=O)CN1CCCN(S(=O)(=O)[C@H](C)C#N)CC1 416390069 MEPOGXYBEKEFGY-LLVKDONJSA-N 303.384 -0.201 30 20 DBED CN(C)CCCN(CCCN(C)C)C(=O)Cn1cnc(C#N)n1 426736999 ZYRXBKHDGGJAKQ-UHFFFAOYSA-N 321.429 -0.118 30 20 DBED N#Cc1cc(S(=O)(=O)N2C[C@H](O)[C@H](O)C2)ccc1Cl 434757841 QSRZGDDMQWKJTM-PHIMTYICSA-N 302.739 -0.062 30 20 DBED C#CCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 490802418 AUARZXZCYWKHNZ-SECBINFHSA-N 309.347 -0.798 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)Nc2ccccn2)CC1 491070396 BJIWOFXWIXHIOB-UHFFFAOYSA-N 301.350 -0.020 30 20 DBED CN(C)C[C@](C)(C#N)NC(=O)Cn1nc2ccccn2c1=O 515575791 JCKRRGFKKDKVIV-AWEZNQCLSA-N 302.338 -0.544 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1CCC[C@]1(C)CO 548838723 QFCJGPIAFFIYHJ-GFCCVEGCSA-N 305.400 -0.060 30 20 DBED CN(C)c1cc(C#N)cc(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)c1 566456455 MMFDMYOABGZKFA-CHWSQXEVSA-N 323.374 -0.488 30 20 DBED C[C@H]1CO[C@@H](CO)CN1C(=O)C(=O)Nc1cccc(C#N)n1 567834845 JUMUJJNSYYGHJK-GXSJLCMTSA-N 304.306 -0.500 30 20 DBED N#Cc1ccc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1 594874751 SSELBOCRKFXCAH-WCQYABFASA-N 320.374 -0.509 30 20 DBED CN(C)S(=O)(=O)NCC(=O)N[C@@H](C#N)C1CCCCC1 597343034 UMVMKNWAXHQTGP-NSHDSACASA-N 302.400 -0.029 30 20 DBED N#CCCN1CCN(C(=O)N[C@H]2CCCS(=O)(=O)C2)CC1 602282074 HFWKIONXVUCGLL-LBPRGKRZSA-N 314.411 -0.196 30 20 DBED CC(C)[C@H](C#N)N1CCN(C(=O)Cn2ccc(O)nc2=O)CC1 604561319 SSTAVNVPPAUONT-LBPRGKRZSA-N 319.365 -0.359 30 20 DBED CC#CC[C@H](CO)NC(=O)c1cc(S(N)(=O)=O)cnc1C 655159642 BDMXIRGRYFGEEL-SNVBAGLBSA-N 311.363 -0.458 30 20 DBED C#CCSCCNS(=O)(=O)c1ccc(-c2nn[nH]n2)nc1 735387672 DZLGAERCAFNXMK-UHFFFAOYSA-N 324.391 -0.094 30 20 DBED NC1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 746272868 BEPIISGAVZYHTK-UHFFFAOYSA-N 322.390 -0.325 30 20 DBED Cn1cc(C[C@@H]2CC(=O)N(CN3CCO[C@H](C#N)C3)C2=O)cn1 746377665 NHGZXQSXMFCTMZ-CHWSQXEVSA-N 317.349 -0.480 30 20 DBED C#CCC[C@@H](O)CNC(=O)NCC(C)(C)NS(C)(=O)=O 798408706 ASMFHCLMCQWMLV-SNVBAGLBSA-N 305.400 -0.612 30 20 DBED CNC(=O)[C@@H](O)CNS(=O)(=O)c1cc(C#N)ccc1Cl 809835340 CBMJFBFJEKLAGS-VIFPVBQESA-N 317.754 -0.403 30 20 DBED N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@@H](CO)C2CC2)c1 810936871 DNNHNIFKIPRUHF-ZDUSSCGKSA-N 323.374 -0.276 30 20 DBED O=c1c(C=NNCCO)c(N2CCOCC2)nc2ccccn12 814941900 YMLLENTWWOYOKZ-UHFFFAOYSA-N 317.349 -0.553 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1OC 855476480 PESFCLHUPAXVCG-GRYCIOLGSA-N 300.380 -0.988 30 20 DBED C#CCNC(=O)COC(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1 859899458 WTOKSTZDNUWXOZ-SNVBAGLBSA-N 304.306 -0.934 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)Cc2ncc(CC)[nH]2)CC1 874343277 XPWYHEIKLFIZLO-UHFFFAOYSA-N 317.393 -0.592 30 20 DBED C#CCNC(=O)CN1CCCN(c2cc(C#N)nc(C)n2)CC1 881981771 LWMXHCMERQMPGC-UHFFFAOYSA-N 312.377 -0.082 30 20 DBED C[C@@H](NS(=O)(=O)c1cccnc1C#N)[C@H]1CN(C)CCN1C 919987939 ABGGMHKSQKTNLE-DGCLKSJQSA-N 323.422 -0.134 30 20 DBED Cn1c(C=NNc2ncccn2)nc2c1c(O)nc(=O)n2C 920375998 SXXIGJFSQBVXEA-UHFFFAOYSA-N 300.282 -0.391 30 20 DBED COCCNC(=O)[C@@H](C#N)C(=O)COc1ccc(C(N)=O)cc1 920790297 VFPKNLYVPCHGGD-LBPRGKRZSA-N 319.317 -0.364 30 20 DBED C#Cc1ccc(C(=O)N(C)[C@@H]2CCN(C(=O)C(N)=O)C2)nc1 939369023 GGKCJADSBBTEIB-LLVKDONJSA-N 300.318 -0.779 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CCCCN(C(=O)CC(N)=O)C2)[nH]1 943193948 HCSSROXQDOMQEL-LLVKDONJSA-N 317.349 -0.127 30 20 DBED C=CCN1CCC2(CC1)CN(C(=O)CS(C)(=O)=O)CCO2 949038691 ZPACVAUQRAHUCK-UHFFFAOYSA-N 316.423 -0.090 30 20 DBED N#Cc1ccc(C(=O)NC[C@H]2CCN2C(=O)[C@@H]2COCCO2)[nH]1 949444529 MWEXCMKGCRPUML-YPMHNXCESA-N 318.333 -0.368 30 20 DBED C=C(Br)CN1CCN(C(=O)c2nnn(C)n2)CC1 949722170 ZTPMFPFPOHFOCE-UHFFFAOYSA-N 315.175 -0.124 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2CCN2C(=O)[C@H]2CCCO2)nn1 950047557 KHNRBTOGOIFGJT-WCQYABFASA-N 319.365 -0.026 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@H]3CCN(C(=O)C(N)=O)[C@H]3C2)[nH]1 953308727 DCEAQLCMLHLUDI-CABZTGNLSA-N 315.333 -0.565 30 20 DBED C=CCCN1CC(N(CC)C(=O)c2cn(CC(N)=O)nn2)C1 957424490 XFMAJIZMECKGSG-UHFFFAOYSA-N 306.370 -0.514 30 20 DBED N#CCN1C[C@H](O)[C@H](CNC(=O)c2cccc3nc(O)[nH]c23)C1 958146217 ZZPDVXZWJWTFNR-SKDRFNHKSA-N 315.333 -0.185 30 20 DBED N#CCN1C[C@@H](O)[C@H](CNC(=O)c2ccc(C(N)=O)s2)C1 958476534 LSTXANFZZZXBAJ-RKDXNWHRSA-N 308.363 -0.607 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2COCCN2C(=O)C(N)=O)cc1 964289366 LUDAABRZGMEKTF-CYBMUJFWSA-N 315.329 -0.890 30 20 DBED C[C@H](C#N)C(=O)N1CC2(C[C@H](NC(=O)CN3CCCC3)CO2)C1 965703258 VIFSIROPJQIRDB-OLZOCXBDSA-N 320.393 -0.272 30 20 DBED C#CCCN1CC[C@H](C)[C@H](NC(=O)CN2CCN(C)C(=O)C2)C1 967036216 VTOOOHRZNBGKPC-LSDHHAIUSA-N 320.437 -0.390 30 20 DBED C=C(Cl)CN1CC([C@@H](C)NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 970502767 ICRFBGFESAVFRR-SCZZXKLOSA-N 314.773 -0.227 30 20 DBED CN(CCN1C(=O)CNC1=O)[C@@H]1CCN(C(=O)C#CC2CC2)C1 971510276 CFUQCTSPVLHOAP-CYBMUJFWSA-N 318.377 -0.516 30 20 DBED CC#CCN1C[C@H]2CC[C@H]1CN2C(=O)[C@@H]1CC(=O)NC(=O)N1 971869048 HTOFPPOALAZFJX-TUAOUCFPSA-N 304.350 -0.717 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)[C@@H]3CCCCC(=O)N3)[C@H]2C1 977163350 JJBBFNBFDANVOZ-BYNIDDHOSA-N 318.377 -0.222 30 20 DBED CN(C[C@H]1CCN1C(=O)c1cnn[nH]1)C(=O)c1cc(C#N)c[nH]1 977528608 LLTVJTJTENYSFF-SNVBAGLBSA-N 313.321 -0.009 30 20 DBED N#CCN1C[C@H]2[C@H](CNC(=O)C3CCN(C(N)=O)CC3)[C@H]2C1 979050310 TXWUNAGYUQDRRL-XYYAHUGASA-N 305.382 -0.405 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](NC(=O)c2c[nH]c(=O)cn2)[C@H]1C 989543088 AVFFUVIEVAOZFI-BBBLOLIVSA-N 303.322 -0.351 30 20 DBED N#Cc1cc(C(=O)NC2CN(C(=O)C[C@@H]3CCNC3=O)C2)c[nH]1 990935304 MAQBGTWZTXIYAI-VIFPVBQESA-N 315.333 -0.647 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCN(C(=O)CCC)C[C@H]2O)nn1 991483882 FPEASLXOGQOLDE-DGCLKSJQSA-N 321.381 -0.044 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN(C(=O)[C@]2(F)CCOC2)C1 994750814 CYRIPIYMQSOEHH-BBRMVZONSA-N 323.368 -0.460 30 20 DBED C=C(C)CN[C@H]1CN(C(=O)C[C@@H]2NC(=O)NC2=O)CC1(C)C 995912158 VFEONTXDBKISPE-QWRGUYRKSA-N 308.382 -0.013 30 20 DBED CC1(C)CN(C(=O)CC[C@@H]2NC(=O)NC2=O)C[C@@H]1NCC#N 996583174 GKXQFZPAQFWBDN-UWVGGRQHSA-N 307.354 -0.675 30 20 DBED CC(=O)N1CCO[C@@H](C(=O)N[C@@H](C)C2CCN(CC#N)CC2)C1 997849309 PGFBUYLLDJAIBL-SWLSCSKDSA-N 322.409 -0.026 30 20 DBED C=C(C)CNC1CC(N(C)C(=O)[C@@H]2CCS(=O)(=O)N2)C1 999848994 AIQLGKWLVANGIL-MCIGGMRASA-N 301.412 -0.167 30 20 DBED C[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1NC(=O)C(N)=O 1005209403 ZCRYAWLCJOYNDY-KWQFWETISA-N 303.322 -0.662 30 20 DBED N#CCN1CCC[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)C1 1009206110 WECSFJQMMCJZHP-SECBINFHSA-N 301.310 -0.865 30 20 DBED C#Cc1ccccc1CC(=O)N1CCN(C(=O)CC(N)=O)CC1 1010787941 MNBAIJUPHQREDD-UHFFFAOYSA-N 313.357 -0.243 30 20 DBED C[C@H]1[C@H](NC(=O)C(N)=O)CCCN1C(=O)c1c[nH]c(C#N)c1 1015179553 QECCURDZTNTTHO-GZMMTYOYSA-N 303.322 -0.519 30 20 DBED C=C(Br)CN1CC[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1 1015634082 KRQIDOKCZPYBRJ-RKDXNWHRSA-N 317.187 -0.233 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCN(CC(=O)NC3CC3)C2)nn1 1015811648 KKWAEOZWAVCSEJ-LBPRGKRZSA-N 318.381 -0.453 30 20 DBED C=CCN1CC[C@H](N[C@H]2CCN(C(=O)c3cnn[nH]3)C2)C1=O 1019080117 XMBNRTFBBHMGSY-QWRGUYRKSA-N 304.354 -0.604 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCN(C(=O)[C@]3(C)CCC(=O)N3)C2)C1 1019364603 HZBTVFHJZNSIIM-ABAIWWIYSA-N 318.377 -0.124 30 20 DBED Cc1cnccc1C(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1O 1023617107 WFXIXABQCNQVLS-ZWKOPEQDSA-N 302.334 -0.149 30 20 DBED CN1CCC[C@@H](N2CC(NC(=O)c3ccc(C#N)[nH]3)C2)C1=O 1030226382 VUSKQIHCBSQWRS-CYBMUJFWSA-N 301.350 -0.079 30 20 DBED C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1NC(=O)NC1=O 1032451980 ARXGYIISDBARCL-SRVKXCTJSA-N 306.366 -0.164 30 20 DBED C=CCN1CC[C@H]2CN(C(=O)CN3CCNC(=O)C3)CC[C@H]21 1036792189 LKQUOBLZUPBKBX-UONOGXRCSA-N 306.410 -0.473 30 20 DBED Cc1nn(C)c(=O)c(C(=O)N[C@H]2[C@H]3C[C@H]2N(CC#N)C3)c1C 1037525683 PLPBCCSXJWGMBR-LOWVWBTDSA-N 301.350 -0.277 30 20 DBED CC#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CN1CCNC(=O)C1 1039416177 LUXVEQPTVGGHQR-CABCVRRESA-N 318.421 -0.493 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(=O)NCCN(c2ncccn2)CC1 1039664087 WLOZFXWJPCUAHA-LBPRGKRZSA-N 316.365 -0.209 30 20 DBED CCN(C)CCC(=O)N1CC[C@](O)(CNC(=O)C#CC2CC2)C1 1039681255 XGMUBBKNVOMIBN-KRWDZBQOSA-N 321.421 -0.179 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@]1(O)CCN(C(=O)C(C)(C)F)C1 1039721422 LFBXLDGZIWECPG-IAQYHMDHSA-N 314.357 -0.148 30 20 DBED C=C(C)CCC(=O)NC[C@@]1(O)CCN(C(=O)c2cn(C)nn2)C1 1039986770 GTXLVNYEFNGJDS-HNNXBMFYSA-N 321.381 -0.135 30 20 DBED C=C(Cl)C(C)(C)C(=O)N1CC[C@@](O)(CNC(=O)C(N)=O)C1 1040742079 DMUPUDJWERIWNL-CYBMUJFWSA-N 317.773 -0.670 30 20 DBED N#Cc1cncc(N2C[C@@H](O)[C@H](NC(=O)[C@@]3(F)CCOC3)C2)n1 1041304044 GSJQOGPBNVSLJM-JTNHKYCSSA-N 321.312 -0.857 30 20 DBED C=CCCOCC(=O)N1CC(O)(CNC(=O)c2cn[nH]c2)C1 1041662869 DQMWZLOLBKRGNU-UHFFFAOYSA-N 308.338 -0.695 30 20 DBED CO[C@@H]1CN(c2nccnc2C#N)C[C@H]1NC(=O)[C@@H]1CCCO1 1042748820 DLEJUTPNEAVFQW-FRRDWIJNSA-N 317.349 -0.153 30 20 DBED Cc1cc(C(=O)NCC2(O)CN(C(=O)C#CC3CC3)C2)cnn1 1042778647 JBVCPWPSSHVTBV-UHFFFAOYSA-N 314.345 -0.498 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)C[C@](C)(O)C=C)C1 1042811246 HLOLFHGXTZLSAB-OAHLLOKOSA-N 324.377 -0.957 30 20 DBED Cc1cnoc1C(=O)N1CC(O)(CNC(=O)C#CC(C)C)C1 1042938111 PHKNOJWMRHOTCO-UHFFFAOYSA-N 305.334 -0.054 30 20 DBED O=C(C[C@@H]1CCCOC1)NCC1(O)CN(C(=O)C#CC2CC2)C1 1043145096 WGOQWYZVAGVXSW-AWEZNQCLSA-N 320.389 -0.094 30 20 DBED C[C@@H]1CN(C(=O)[C@H]2CCN(C)C2)C[C@H]1N=c1cc[nH]c(C#N)n1 1043204477 CZLCASCQCGFACG-FRRDWIJNSA-N 314.393 -0.019 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)CCN2CCCCC2)C1 1043426874 OHURHKVMJURVPI-CYBMUJFWSA-N 322.409 -0.288 30 20 DBED C[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)C[C@H]1Nc1ccc(C#N)nc1 1043472470 DEQWTDPRWRYPID-JIMOISOXSA-N 314.349 -0.107 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)[C@@H]3CCOC3)C2)nc1 1043867641 QMYUITGYUXTNNF-UPJWGTAASA-N 302.334 -0.345 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)C[C@H]2CCN(C)C2)C1 1044000664 GUXNAJYZPSCULH-VXGBXAGGSA-N 308.382 -0.823 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)C(C)(C)C(N)=O)C1 1044474919 FZYWZMZUFWFXMA-UHFFFAOYSA-N 311.382 -0.600 30 20 DBED N#CCSCC(=O)N1CC(O)(CNC(=O)c2cccnn2)C1 1045229739 XVMHZDNCHWXUDS-UHFFFAOYSA-N 321.362 -0.964 30 20 DBED CC#CCCCC(=O)N1CC(O)(CNC(=O)c2cccnn2)C1 1045237311 ZRBYSCHJWCYGBD-UHFFFAOYSA-N 316.361 -0.027 30 20 DBED CCn1cnc(C(=O)N2CC(O)(CNC(=O)[C@@H](C)C#N)C2)c1 1045545878 CVMGKKADLQYTJA-JTQLQIEISA-N 305.338 -0.634 30 20 DBED C#CCN1CC[C@@H](N2CCN(C(=O)CN3CCCC3=O)CC2)C1 1046002403 VMFCUPIKVKOKFF-OAHLLOKOSA-N 318.421 -0.540 30 20 DBED Cn1oc(C(=O)N2CCN([C@H]3CCN(CC#N)C3)CC2)cc1=O 1046024031 CFORUPMANIHULN-LBPRGKRZSA-N 319.365 -0.666 30 20 DBED C=CCCOCC(=O)N1CC(O)(CNC(=O)Cc2cnc[nH]2)C1 1047188155 KNJSLNVXOFAASK-UHFFFAOYSA-N 322.365 -0.766 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]c(C(N)=O)c2)C1 1047628750 NJAYODWEBLPHRC-STQMWFEESA-N 304.350 -0.746 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)SC)C1 1048335989 IAEMSIQIWAEZFQ-SRVKXCTJSA-N 316.423 -0.029 30 20 DBED Cn1c(O)ncc(C(=O)N2C[C@@H]3CN(CC#N)C[C@@H]3C2)c1=O 1048975278 KGOSLRURCAUGCQ-AOOOYVTPSA-N 303.322 -0.987 30 20 DBED C=C(C)CCN1C[C@H]2CN(C(=O)CN3CCNC(=O)C3)C[C@H]2C1 1048977936 QUUGZAZJCTTZHJ-GASCZTMLSA-N 320.437 -0.225 30 20 DBED C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCS(=O)(=O)N1 1049900396 SXDPEFIFSDECPZ-YNEHKIRRSA-N 311.407 -0.623 30 20 DBED C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC(=O)N2)CCN1c1ccc(C#N)nn1 1050474513 ISHNGHLKMMLZKB-USWWRNFRSA-N 314.349 -0.290 30 20 DBED C=CCN1CCOC[C@H]1CNC(=O)c1ccc2nnnn2c1 1051027189 RLYLWLUEYDKGTO-GFCCVEGCSA-N 302.338 -0.259 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)CNC(N)=O)C[C@@H]1C 1051935736 RRAVGYQAGFXXLA-NWDGAFQWSA-N 308.382 -0.475 30 20 DBED C#CCCN1CCC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)CC1 1052957242 DHCFOFYGTOVDBA-GFCCVEGCSA-N 318.381 -0.629 30 20 DBED CC(C)N1C[C@H](C(=O)N2CCOC3(CN(CC#N)C3)C2)CC1=O 1053276741 SCYAVTWHFOEBNK-CYBMUJFWSA-N 320.393 -0.320 30 20 DBED C#CCN1CC2(C1)CN(C(=O)[C@H]1CCN(C(C)=O)C1)CCO2 1053520694 YBPHYSKVXWDAKQ-AWEZNQCLSA-N 305.378 -0.599 30 20 DBED CN1CCOC[C@H]1C(=O)NC[C@H]1CCC2(CN(CC#N)C2)O1 1053591682 AULFDPPOFQUVPF-OLZOCXBDSA-N 308.382 -0.810 30 20 DBED Cn1cc(C(=O)NC[C@@H]2CCC3(CN(CC#N)C3)O2)n(C)c1=O 1053701577 YHVSGTUZUYRDED-NSHDSACASA-N 319.365 -0.789 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)c3cnc4nccn4c3)CO2)C1 1053871218 ZFSBGFSDZQFEBD-LBPRGKRZSA-N 312.333 -0.174 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)Cn3ccccc3=O)CO2)C1 1054004800 WZPZSZPQEHPHAZ-CQSZACIVSA-N 315.373 -0.169 30 20 DBED C=C(C)CN[C@@H]1CN(C(=O)CCn2ncn(C)c2=O)C[C@H]1C 1054930419 NGPPPHUYGCIPSY-CHWSQXEVSA-N 307.398 -0.016 30 20 DBED Cn1cc(C(=O)N2CCN(c3cncc(C#N)n3)CC2)nc1O 1056004522 SPFSSOIEEWWHET-UHFFFAOYSA-N 313.321 -0.250 30 20 DBED N#Cc1cccnc1N1C[C@H]2[C@H](NC(=O)Cn3cncn3)[C@H]2C1 1056216311 JTQAIEBUJJKKLS-IMRBUKKESA-N 309.333 -0.204 30 20 DBED N#Cc1nccc(N2C[C@H]3[C@H](NC(=O)Cn4nccn4)[C@H]3C2)n1 1056316208 RUYWWXWTBSIICI-MSRIBSCDSA-N 310.321 -0.809 30 20 DBED CNC(=O)NCC(=O)N1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C)C#N 1056540380 JMPVLPGUFKTRTJ-QJPTWQEYSA-N 321.381 -0.333 30 20 DBED CO[C@H](C)C(=O)NCCN(CCO)C(=O)CSCC#N 1057027006 VAVYMOGGYXTXDX-SNVBAGLBSA-N 303.384 -0.785 30 20 DBED CCc1ocnc1C(=O)N(CCO)CCNC(=O)[C@H](C)C#N 1057248733 DHCXDSGENIEZRF-SNVBAGLBSA-N 308.338 -0.053 30 20 DBED Cc1nn(C)cc1C(=O)NCCN(CCO)C(=O)C#CC(C)C 1057516891 BYXCTMLLIWDKSM-UHFFFAOYSA-N 320.393 -0.061 30 20 DBED C=CCC(C)(C)C(=O)N(CCO)CCNC(=O)Cn1cncn1 1057601167 FRNXMVTYVMHFRY-UHFFFAOYSA-N 323.397 -0.183 30 20 DBED C=CCO[C@H](C)C(=O)N(CCO)CCNC(=O)c1cnco1 1057922571 ACBGYMZWQNITLH-LLVKDONJSA-N 311.338 -0.184 30 20 DBED N#Cc1cnc(N2CCC[C@H](NC(=O)[C@@H]3COCCO3)C2)cn1 1058120660 UBSMTKSHFHZTBK-AAEUAGOBSA-N 317.349 -0.151 30 20 DBED N#Cc1cncc(N2CC[C@H](NC(=O)C3CS(=O)(=O)C3)C2)n1 1058456840 YFAYVGKPVYRZKT-JTQLQIEISA-N 321.362 -0.912 30 20 DBED CN1C[C@H](C(=O)N[C@H]2C[C@@H](Nc3ccc(C#N)nn3)C2)NC1=O 1059782012 UYERUEKNZWQZTR-OUAUKWLOSA-N 315.337 -0.569 30 20 DBED C=CCCC(=O)NC[C@@H]1COCCN1C(=O)CCn1ccnn1 1061409145 ZWHBKZIHQZLMNN-CYBMUJFWSA-N 321.381 -0.022 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)c1cnccn1 1061845481 IENJGOYMTTVSNC-QWRGUYRKSA-N 303.322 -0.407 30 20 DBED N#Cc1nccc(N2C[C@@H]3C[C@H]2CN3C(=O)c2ccc(O)nn2)n1 1062431413 CONPHPNNIAYAFF-UWVGGRQHSA-N 323.316 -0.053 30 20 DBED N#Cc1nccnc1N1CC[C@@]2(CCN(C(=O)CC(N)=O)C2)C1 1064608811 BRDQOVUCWGRENU-OAHLLOKOSA-N 314.349 -0.348 30 20 DBED C=CCOCC(=O)N1CCO[C@@H](CNC(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1064972310 UJULUKZQGJXUQL-RMRHIDDWSA-N 324.377 -0.575 30 20 DBED C[C@@]1(NC(=O)[C@H]2CCC(=O)N2)CCN(c2cncc(C#N)n2)C1 1065223312 BANJKNSZZQHOPA-IAQYHMDHSA-N 314.349 -0.288 30 20 DBED Cn1cc(C(=O)N[C@]2(C)CCN(c3nccnc3C#N)C2)nn1 1065246460 CWUHEBGZGQJLAM-CQSZACIVSA-N 312.337 -0.124 30 20 DBED N#Cc1nccnc1N1C[C@@H]2C(CNC(=O)c3nc[nH]n3)[C@H]2C1 1068180731 OUPYSLDYONULAV-NXEZZACHSA-N 310.321 -0.421 30 20 DBED C=CCCC(=O)N1CC2(C[C@H](NC(=O)CNC(=O)CC)CO2)C1 1068766124 GHWQNSFOVNCJPP-LBPRGKRZSA-N 323.393 -0.035 30 20 DBED C#CCCCC(=O)N1CC2(C[C@H](NC(=O)c3cnon3)CO2)C1 1068978692 TYOXWPMQGCMDAQ-NSHDSACASA-N 318.333 -0.027 30 20 DBED N#CCN1CCOC[C@@H]1c1n[nH]c(CNC(=O)c2cnon2)n1 1070591268 AKMRQVUJLZCZIN-SECBINFHSA-N 318.297 -0.985 30 20 DBED C=CCN1C[C@H]2C[C@H]3CN(C(=O)[C@@H]4CCN(C)C4=O)C[C@@]3(C1)O2 1070839008 DQRKOWBORLRNDH-ZOMKSWQUSA-N 319.405 -0.048 30 20 DBED C=C(C)CCC(=O)N[C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1C 1071553616 NARJQHLUXZYMBK-VXGBXAGGSA-N 306.370 -0.008 30 20 DBED C#CCCCC(=O)N[C@H]1CN(C(=O)C2(NC(N)=O)CC2)C[C@@H]1C 1071925265 ITTVYNRUJKKVNX-RYUDHWBXSA-N 320.393 -0.046 30 20 DBED C[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@@H]1NC(=O)C#CC1CC1 1072616397 IYLLTXJDOLTLHZ-MFKMUULPSA-N 314.345 -0.240 30 20 DBED C#Cc1cncc(C(=O)N2C[C@@H](NC(=O)CC(N)=O)[C@H](C)C2)c1 1072706844 RAOHFQZXNYUSOG-ZWNOBZJWSA-N 314.345 -0.485 30 20 DBED C#CCCCC(=O)NC1(C)CCN(C(=O)[C@H]2CNC(=O)N2)CC1 1073225013 UCOAWJRFISQCBQ-GFCCVEGCSA-N 320.393 -0.031 30 20 DBED C#CCOCCC(=O)N1CCN(C2CN(C(=O)CC)C2)CC1 1073572537 FLPVHTDATZXDGE-UHFFFAOYSA-N 307.394 -0.209 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCN(C2CN(C(=O)C3CC3)C2)CC1 1073572625 IGPOPRSZYLIPNJ-ZDUSSCGKSA-N 319.405 -0.210 30 20 DBED COCc1nn(C)cc1C(=O)NC[C@@H]1CN(CC#N)CCCO1 1073667486 HMVFYWFMNHMZDT-GFCCVEGCSA-N 321.381 -0.089 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2CN(CC(N)=O)CCCO2)nc1 1073859995 YWOPJBCFBKRQGK-ZDUSSCGKSA-N 316.361 -0.631 30 20 DBED COc1ccc(C(=O)N2CC[C@@H]3OCCN(CC#N)[C@H]3C2)nn1 1074378671 ZPRDLTZJBDRKDB-STQMWFEESA-N 317.349 -0.076 30 20 DBED C=C[C@H](C)[C@@H](C)C(=O)N1CCC(O)(CNC(=O)C(N)=O)CC1 1074679656 CFYHSVJPOBGDAG-WDEREUQCSA-N 311.382 -0.600 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CCN(C(=O)CCOC)[C@@H](C)C1 1074940564 AJJRDCUMVVRNJM-STQMWFEESA-N 323.393 -0.342 30 20 DBED CC(=O)N1CC(C(=O)NCC[C@H](C)NC(=O)C#CC2CC2)C1 1076284588 FGAMJBAXWMGYSR-NSHDSACASA-N 305.378 -0.111 30 20 DBED C#CCOCCC(=O)NCC[C@H](C)NC(=O)c1ccc(O)nn1 1076503913 CDMLZDTUCACXJP-NSHDSACASA-N 320.349 -0.153 30 20 DBED C=CCCOCC(=O)NCC[C@H](C)NC(=O)[C@H]1CNC(=O)N1 1077064111 ROGXIQQLVSVDNV-WDEREUQCSA-N 312.370 -0.729 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCS(=O)(=O)C2)C1 1077766752 TXTBQXDIHYNRMC-YNEHKIRRSA-N 316.423 -0.451 30 20 DBED C[C@@H](CCNC(=O)[C@@H](C)C#N)NC(=O)CCCS(N)(=O)=O 1078136721 UJPNKKBQRIAMJQ-UWVGGRQHSA-N 318.399 -0.774 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3nnc(C)n3C2)C1 1078220089 ZFCJNWKOLRWVJC-MGPQQGTHSA-N 319.409 -0.114 30 20 DBED C=CCCC(=O)NC1(CO)CCN(C(=O)C2(C(N)=O)CC2)CC1 1080768523 YYFZLBTXLNVOLB-UHFFFAOYSA-N 323.393 -0.312 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC(CN(CC)C(=O)C(N)=O)CC1 1081084631 ABYGRLBHNPIIKX-LBPRGKRZSA-N 323.393 -0.403 30 20 DBED C#CCOCCC(=O)N1C[C@H](CNC(=O)C(F)F)[C@@H](O)C1 1081161272 NSABPZLPWHTNNW-UWVGGRQHSA-N 304.293 -0.773 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)c2cnn(C)c2)C[C@H]1O 1081441237 GCJWMNSENQEYME-TZMCWYRMSA-N 318.377 -0.227 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](O)[C@H](CNC(=O)CCCC(N)=O)C1 1081578204 YAJRWVAITVAMRT-CHWSQXEVSA-N 323.393 -0.763 30 20 DBED C=C(C)CN1C[C@@H](NC(=O)c2cn(CCOC)nn2)[C@H](OC)C1 1081649361 BTCCVCJGLCFFKI-TZMCWYRMSA-N 323.397 -0.070 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CC(=O)N(C)C1 1083098223 KLXMGPDTOMGUFQ-MELADBBJSA-N 305.378 -0.600 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2cc(-n3cccn3)ccn2)C1 1083770692 WEHYUZQBGNCYNF-KGLIPLIRSA-N 312.333 -0.434 30 20 DBED C#CCN[C@@H]1CC[C@H](CNC(=O)c2cn(C)c(=O)n(C)c2=O)C1 1086817841 CYBUMOJSOHTLKK-NWDGAFQWSA-N 318.377 -0.795 30 20 DBED N#CCN1C[C@H](NC(=O)Cn2cncn2)CC2(CCOCC2)C1 1089968784 PONMZUYWARILCC-CYBMUJFWSA-N 318.381 -0.211 30 20 DBED N#CCSCC(=O)N[C@@H]1CN(c2cc(F)ncn2)C[C@H]1O 1090374467 YZUQLRYUJHUUCP-RKDXNWHRSA-N 311.342 -0.462 30 20 DBED Cc1ccn(CC(=O)N[C@H]2CCN(CC#N)C[C@@H]2O)c(=O)c1 1090604114 ANCZPXZCJLQEPM-STQMWFEESA-N 304.350 -0.768 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2ccc(N(C)C)nn2)[C@H](O)C1 1090734267 JXWKIBPNCBTCCH-GXTWGEPZSA-N 317.393 -0.269 30 20 DBED C#CCOc1ncccc1C(=O)N[C@H]1CCN(CC#C)C[C@@H]1O 1090736234 HDCGDFLGWHXSTO-GJZGRUSLSA-N 313.357 -0.108 30 20 DBED CCN(C)CCC(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@@H]1O 1091135715 DXQSTOCKQRXXHD-KGLIPLIRSA-N 317.393 -0.039 30 20 DBED COCCC(=O)N[C@H]1CCN(c2cncc(C#N)n2)C[C@H]1O 1092129414 AANVCEZUUINPEJ-NWDGAFQWSA-N 305.338 -0.559 30 20 DBED CCCOCC(=O)N[C@@H]1CCN(c2cncc(C#N)n2)C[C@H]1O 1092141994 CKHGYTGKOBRPJR-CHWSQXEVSA-N 319.365 -0.169 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(c2nccc(OC)n2)C[C@H]1O 1092153443 IAEPPCPLNMUQQI-VXGBXAGGSA-N 322.365 -0.256 30 20 DBED Cc1cc(NC(=O)C(=O)NCCN=c2cc[nH]c(C#N)n2)no1 1093650238 IVGAYPLDHNSXIT-UHFFFAOYSA-N 315.293 -0.767 30 20 DBED C[C@]1(C(=O)NCCN=c2cc[nH]cc2C#N)CCCS1(=O)=O 1093721179 DMUWZNSUEOLDAR-CQSZACIVSA-N 322.390 -0.129 30 20 DBED C#CCO[C@H](C)C(=O)NCCNc1ncnc2c1ncn2C 1093878019 CXENGGGMKNTIMW-SNVBAGLBSA-N 302.338 -0.070 30 20 DBED CN1CCO[C@H](C(=O)NCCCNc2cnc(C#N)cn2)C1 1094349260 OBWAQMOPKTZRKU-LBPRGKRZSA-N 304.354 -0.403 30 20 DBED CC#CCN1CC(N2C[C@H](NC(=O)[C@@H]3CCCOC3)CC2=O)C1 1094711856 OUUVQGWDAQWQJC-ZIAGYGMSSA-N 319.405 -0.162 30 20 DBED N#CCN1CC(N2C[C@H](NC(=O)c3ccsn3)CC2=O)C1 1094748635 ABASYVHMDROFAC-SECBINFHSA-N 305.363 -0.318 30 20 DBED N#Cc1cccnc1N[C@@H](CNC(=O)Cn1ncnn1)C1CC1 1096730663 FLZBSVLWCKMUNT-LBPRGKRZSA-N 312.337 -0.053 30 20 DBED C#CCOCCC(=O)N1CC[C@H](Nc2ccc3nnnn3n2)C1 1096961434 WWJOZIYULUCVFK-NSHDSACASA-N 315.337 -0.428 30 20 DBED Cc1cc(C#N)nc(N[C@H]2C[C@H](NC(=O)CNC(N)=O)C2)n1 1096984436 XLDOJWYXKBXKDI-KYZUINATSA-N 303.326 -0.616 30 20 DBED C[C@H](CNC(=O)[C@@H]1CCCN1C(N)=O)N=c1cc[nH]c(C#N)n1 1097919485 KSXHKBFPAXICCT-ZJUUUORDSA-N 317.353 -0.770 30 20 DBED CCC(=O)N[C@H](C)C(=O)NC[C@H](C)N=c1cc[nH]c(C#N)n1 1098342902 VIOHUEJNKPLHOV-VHSXEESVSA-N 304.354 -0.399 30 20 DBED C#CCN(CCO)C1CCN(C(=O)[C@H]2OCCO[C@H]2C)CC1 1098396029 LPCDUYLIUVWUFJ-ZFWWWQNUSA-N 310.394 -0.291 30 20 DBED CC#CCN(CCO)C1CCN(C(=O)[C@@]2(C)CCNC2=O)CC1 1098477652 DHMQIEFJPASMKE-KRWDZBQOSA-N 321.421 -0.179 30 20 DBED C=CCNCc1cn([C@@H]2CCN(C(=O)[C@H]3CCC(=O)N3)C2)nn1 1098638618 ZVHCFLIFGCISQB-CHWSQXEVSA-N 318.381 -0.394 30 20 DBED C#CCNCc1cn([C@@H]2CCN(C(=O)Cc3cnc[nH]3)C2)nn1 1098739745 JKXPKTYGTXSKLX-CQSZACIVSA-N 313.365 -0.260 30 20 DBED CN1C[C@@H](C(=O)N2C[C@@H](NCC#N)[C@H](C(F)(F)F)C2)NC1=O 1099288698 UYTBNFUKGZDFMC-HLTSFMKQSA-N 319.287 -0.488 30 20 DBED Cn1ccc(CN2CC[C@@H](NC(=O)CSCC#N)[C@H](O)C2)n1 1099690223 LSCROUUICZQADY-CHWSQXEVSA-N 323.422 -0.272 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(Cc2cc(C)n(C)n2)C[C@@H]1O 1099741178 OZJKAZLRNBFBPY-CABCVRRESA-N 322.409 -0.017 30 20 DBED N#CCNC(=O)CN1CC[C@H](NC(=O)CC2CCC2)[C@H](O)C1 1099755766 RMZLXBZMKVBMIR-QWHCGFSZSA-N 308.382 -0.632 30 20 DBED C=CC(C)(C)C(=O)N[C@H]1CCN(Cc2nnn(C)n2)C[C@H]1O 1099944906 SGAUFCDNRJSWSN-WDEREUQCSA-N 308.386 -0.526 30 20 DBED COCC#CCN1CC[C@H](NC(=O)[C@@H]2[C@H]3COC[C@H]32)[C@H](O)C1 1099949091 LXBYSTXHTLKHKN-XPABHHOTSA-N 308.378 -0.920 30 20 DBED CC#CCCCC(=O)N[C@@H]1CCN(CC(=O)N2CCC2)C[C@@H]1O 1099960151 OVQPWNBTOLRMAD-CABCVRRESA-N 321.421 -0.036 30 20 DBED CN(CCNC(=O)[C@@H]1COCCN1C)c1ccc(C#N)cn1 1100028071 DVGCXEGNBURGDL-ZDUSSCGKSA-N 303.366 -0.164 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CCCS(C)(=O)=O)[C@H](O)C1 1100031384 DRXBVDUMRRWKSA-CHWSQXEVSA-N 316.423 -0.614 30 20 DBED CCN(CCNC(=O)CC(=O)N(C)C)c1cncc(C#N)n1 1100743646 LVUHACLDISKDCG-UHFFFAOYSA-N 304.354 -0.231 30 20 DBED COC(=O)c1nc(=NCCN(C)C(=O)CSCC#N)cc[nH]1 1101514696 MVLSGRRRQAQSMV-UHFFFAOYSA-N 323.378 -0.188 30 20 DBED CN(CCNc1cncc(C#N)n1)C(=O)CCc1cnn(C)n1 1101969710 JBARUJMVAIZBQK-UHFFFAOYSA-N 314.353 -0.020 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1CNC(=O)c1ccnnc1 1102399033 ROLRLYFDQXTZGQ-DGCLKSJQSA-N 316.365 -0.586 30 20 DBED CN(C)C(=O)CC(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1C#N 1102574675 YEHZZGMZQLOSKG-QWRGUYRKSA-N 314.349 -0.384 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CN(C)CCO1)CNc1cncc(C#N)n1 1103889707 FYNQZIXPBOXAMC-YPMHNXCESA-N 318.381 -0.157 30 20 DBED Cc1cc(=NC[C@H](C)N(C)C(=O)CNC(N)=O)c(C#N)c[nH]1 1104451972 CJVLVFAVZAQQFU-JTQLQIEISA-N 304.354 -0.389 30 20 DBED C[C@H](NC(N)=O)C(=O)N(C)[C@H](C)CNc1nccnc1C#N 1104534901 FQYNPGFSJZEAHI-BDAKNGLRSA-N 305.342 -0.336 30 20 DBED CCO[C@@H]1C[C@H]1C(=O)N1CC(n2cc(CNCC#N)nn2)C1 1105172056 YSALDUZASJEIEY-CHWSQXEVSA-N 304.354 -0.300 30 20 DBED Cc1cc(C(=O)NC[C@@H](O)CNc2cnc(C#N)cn2)on1 1105746090 CFKICGPWWMDCBW-JTQLQIEISA-N 302.294 -0.153 30 20 DBED Cn1cc(C(=O)NC[C@H](O)CNc2ncc(C#N)cc2F)nn1 1105816027 PJEPYBDKLPYHCI-SECBINFHSA-N 319.300 -0.576 30 20 DBED Cc1cc(C(=O)N2C[C@@H](C)[C@H](CNCC(=O)NCC#N)C2)n[nH]1 1105876914 VFZDBYACZYJNKG-ZYHUDNBSSA-N 318.381 -0.344 30 20 DBED Cc1coc(C(=O)NC[C@@H](O)CN=c2cc[nH]c(C#N)n2)c1 1106065463 ZAYVJKBYRFNFRP-JTQLQIEISA-N 301.306 -0.126 30 20 DBED C#CCOCCC(=O)N1C[C@@H](C)[C@H](CNCCOCCO)C1 1106115610 ZCRROJINKNTLOE-HUUCEWRRSA-N 312.410 -0.281 30 20 DBED N#Cc1cccnc1NC[C@H](O)CNC(=O)[C@@H]1CCC(=O)NC1 1106170440 SEJFPORJKFGWBU-NEPJUHHUSA-N 317.349 -0.632 30 20 DBED CNC(=O)NCCC(=O)N[C@@H](C)CCNc1cnc(C#N)cn1 1106317337 XTEKYHVFDYBBJN-JTQLQIEISA-N 319.369 -0.026 30 20 DBED CC(=O)N1CC(C(=O)NC/C=C/CNc2cncc(C#N)n2)C1 1107169070 UTCJUFJVXPCNSJ-NSCUHMNNSA-N 314.349 -0.089 30 20 DBED Cc1cc(C#N)nc(NC/C=C\CNC(=O)CCNC(N)=O)n1 1107190300 VXJAPZDLWCNKNT-IHWYPQMZSA-N 317.353 -0.201 30 20 DBED N#CCN1CC(n2cc(CNC(=O)Cn3ccnc3)nn2)C1 1107241696 CRVVECCVYQMSGM-UHFFFAOYSA-N 300.326 -0.829 30 20 DBED C[C@H](CNc1nccnc1C#N)NC(=O)CN1CCOCC1 1107710733 AZOKZENKLFIGSS-LLVKDONJSA-N 304.354 -0.403 30 20 DBED C[C@@]1(CNC(=O)[C@]2(C)CCNC(=O)C2)CN(CC#N)CCO1 1108025327 ZKSCHIMBODBMIZ-HUUCEWRRSA-N 308.382 -0.367 30 20 DBED C#CCCN1CCO[C@@](C)(CNC(=O)[C@H](C)S(C)(=O)=O)C1 1108027131 NKZGGGUZLDLXBR-JSGCOSHPSA-N 316.423 -0.350 30 20 DBED C[C@H](CN=c1cc[nH]cc1C#N)NC(=O)[C@H]1CN(C)C(=O)N1 1108041065 BHFNGYGHITVQEB-BXKDBHETSA-N 302.338 -0.685 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)[C@@H]2CCS(=O)(=O)C2)C1 1108057710 JQSYECOWGMQCHL-TZMCWYRMSA-N 314.407 -0.739 30 20 DBED C[C@@H](CNc1ccc(C#N)nc1)NC(=O)C[C@H]1CC(=O)NC1=O 1108436050 UNJUFIQODVAVQA-UWVGGRQHSA-N 315.333 -0.077 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCN(CC)[C@H]2CS(=O)(=O)C[C@H]21 1108474341 OBTFJRGRUDNAPI-RWMBFGLXSA-N 314.407 -0.646 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)[C@@]1(C)CCC(=O)NC1 1108644311 XYBQFXLNSDBFIK-BONVTDFDSA-N 316.365 -0.397 30 20 DBED N#Cc1nccc(NC2(CNC(=O)CNC(=O)C3CC3)CC2)n1 1110061668 GALDJUOGTSCMEP-UHFFFAOYSA-N 314.349 -0.065 30 20 DBED CC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CNS(=O)(=O)CC 1110620555 HZOZJLKILXJAGU-UPJWGTAASA-N 313.423 -0.330 30 20 DBED C[C@H](NC(N)=O)C(=O)N[C@@]1(C)CCN(c2cnc(C#N)cn2)C1 1110745693 PHGJXROETSRKSA-XPTSAGLGSA-N 317.353 -0.510 30 20 DBED CO[C@H](C)C(=O)N(C)[C@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1111170975 LKOPFQMKSCZQKN-USWWRNFRSA-N 305.338 -0.609 30 20 DBED CN1CC[C@H](C(=O)N(CCO)CCNc2ccc(C#N)nn2)C1 1111475600 XASQWUNTMJGCBQ-LBPRGKRZSA-N 318.381 -0.467 30 20 DBED NC(=O)NCC(=O)N1CCN(CC#Cc2ccccc2)CC1 1112608775 GFOHWVGPBQBDGL-UHFFFAOYSA-N 300.362 -0.149 30 20 DBED CC(=O)NCC(=O)NC1CC(CNc2cnc(C#N)cn2)C1 1112812466 DQISMOYMJBFPLX-UHFFFAOYSA-N 302.338 -0.209 30 20 DBED C#CCO[C@H](C)C(=O)N1CCN(CC(=O)NCC2CC2)CC1 1112844671 AUKWETTWJGAYSL-CYBMUJFWSA-N 307.394 -0.305 30 20 DBED CC(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN(CC(=O)NCC#N)CC1 1112939875 MFIFHYVIAZAMLQ-ZFWWWQNUSA-N 322.409 -0.169 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)c2ccn(CC)n2)CC1 1113403165 WBZQSWMSIGWRSZ-CYBMUJFWSA-N 317.393 -0.201 30 20 DBED C[C@H](CNC(=O)CNC(N)=O)N(C)c1ncc(C#N)cc1F 1113508062 DFLGJEPNJQMNQM-MRVPVSSYSA-N 308.317 -0.298 30 20 DBED Cc1cc(N(C)[C@@H](C)CNC(=O)Cn2ncnn2)c(C#N)cn1 1113723154 JVKPMDVRLHFUAW-NSHDSACASA-N 314.353 -0.111 30 20 DBED C=CCNC(=O)NC(=O)CN1C[C@H]2C(NC(=O)[C@H](C)OC)[C@@H]2C1 1113952593 HANALOIIFJUJQP-HBNTYKKESA-N 324.381 -0.921 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)Cc3cc[nH]n3)[C@H]2C1 1114089028 ZAGSAHSFTKALFA-MUYACECFSA-N 317.393 -0.311 30 20 DBED N#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3cncc(F)c3)[C@H]2C1 1114126133 VIVMHEIWDWCURX-IMRBUKKESA-N 317.324 -0.480 30 20 DBED O=C(C#CC1CC1)NC1[C@@H]2CN(CCNC(=O)C3CC3)C[C@@H]12 1114258921 ZSCURBWKZKOTFQ-ZIAGYGMSSA-N 301.390 -0.028 30 20 DBED CC(C)[C@@H](C(=O)NC1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]12)N(C)C 1114440702 VJBVHVAIOQHSIK-JMSVASOKSA-N 321.425 -0.741 30 20 DBED CCOCC(=O)N1CCO[C@@H]([C@@H](C)N=c2cc[nH]c(C#N)n2)C1 1114628144 JOQZPDPFYYOGAD-VXGBXAGGSA-N 319.365 -0.166 30 20 DBED CC#CCCCC(=O)NC1[C@@H]2CN(Cc3nnnn3C)C[C@@H]12 1114711649 YJPFZUBNEVRJKB-VXGBXAGGSA-N 302.382 -0.050 30 20 DBED COC(=O)NCC(=O)N[C@H]1C[C@H](CN=c2cc[nH]c(C#N)n2)C1 1114735888 MMZGSXTXDXMCPI-MGCOHNPYSA-N 318.337 -0.567 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)c3nc(C)c[nH]3)[C@@H]2C1 1114949611 OQXZIVREXWZMPX-GHMZBOCLSA-N 303.366 -0.320 30 20 DBED CCc1nc(C#N)cc(NCCCOCCNC(=O)C(N)=O)n1 1115447556 QTASFQCGZMQNPJ-UHFFFAOYSA-N 320.353 -0.669 30 20 DBED COC(=O)CN(CC#N)C(=O)c1ccc(S(C)(=O)=O)o1 1116131787 YTSQHBFUTXUHFN-UHFFFAOYSA-N 300.292 -0.178 30 20 DBED C=CCSCCNC(=O)C(=O)NCc1nnnn1C1CC1 1117122773 QQCYBUMMAYXILI-UHFFFAOYSA-N 310.383 -0.340 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCC[C@H](C(=O)NC)C1)[C@@H]1CCCO1 1117581931 OVOMFNWAMGUWGI-AVGNSLFASA-N 321.377 -0.732 30 20 DBED N#CCNC(=O)CNC(=O)NCc1cc2c(nc1O)CCC2 1119136772 OSWBPVHTTSOCEP-UHFFFAOYSA-N 303.322 -0.285 30 20 DBED N#Cc1nc(=N[C@@H](CO)CNC(=O)Cc2ccco2)cc[nH]1 1121888015 NQGQAYYNSHHHKW-SNVBAGLBSA-N 301.306 -0.505 30 20 DBED C[C@@H]1[C@H](Nc2cnc(C#N)cn2)CCN1C(=O)CNC(N)=O 1122932594 UTJNHZKHJCTYCL-PSASIEDQSA-N 303.326 -0.582 30 20 DBED C/C(=C\C(=O)N1CCOC[C@@H]1C#N)C(=O)N1CCOC[C@@H]1C#N 1123521670 PZKSMAYFYPQIFG-NHFJXKHHSA-N 318.333 -0.565 30 20 DBED Cc1cc(C(=O)N(C)C[C@H](O)CN=c2cc[nH]c(C#N)n2)n[nH]1 1124096771 NEUWENMTJHHUAL-SNVBAGLBSA-N 315.337 -0.653 30 20 DBED CC(C)[C@@H](O)C(=O)N(C)C[C@@H](O)CN=c1cc[nH]cc1C#N 1124295783 MCXJMBRXKKLCKR-GXTWGEPZSA-N 306.366 -0.377 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCNC[C@@H](O)COCCOC 1126366131 RGKQRAYXAYNVFS-TZMCWYRMSA-N 304.387 -0.957 30 20 DBED CNC(=O)CC(=O)NCC1=CCN(c2ccnc(C#N)n2)CC1 1127628233 JMFOEEOETDTWHG-UHFFFAOYSA-N 314.349 -0.263 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)CCc1ccnn1C 1128485740 DTOHBXBPOVRMRR-GFCCVEGCSA-N 305.382 -0.804 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)Cn2nc(C)cc2C)C1=O 1131062273 FOLZIIJHSAKPPQ-AWEZNQCLSA-N 319.409 -0.007 30 20 DBED CCCCN1CCOC[C@H]1C(=O)NCCNCC#CCOC 1131822525 QSEPBNBOQLFNLJ-HNNXBMFYSA-N 311.426 -0.157 30 20 DBED Cc1cc(C(=O)N[C@H](C)C[C@H](C)NCC(=O)NCC#N)nn1C 1133831093 RLOXIGQGCUHUSJ-WDEREUQCSA-N 320.397 -0.145 30 20 DBED COCC#CCN[C@@H](C)C[C@H](C)NC(=O)c1cn(C)c(=O)cn1 1135044767 ZUQVYFPITIMGNX-STQMWFEESA-N 320.393 -0.083 30 20 DBED C#CCCN[C@@H](C)C[C@@H](C)NC(=O)CCn1cc[nH]c(=O)c1=O 1135686883 NEADZCKTXISJKK-QWHCGFSZSA-N 320.393 -0.177 30 20 DBED C#CCN1CCC2(C1)CN(C(=O)CN(C)S(=O)(=O)CC)C2 1148537645 OTERHRZQNNMEEL-UHFFFAOYSA-N 313.423 -0.565 30 20 DBED C=CCN1CCCO[C@@H](CNC(=O)C[C@@H]2CC(=O)NC2=O)C1 1150842501 WKKGWRSEERYGBG-NEPJUHHUSA-N 309.366 -0.568 30 20 DBED C#CCN1CCC(CCOC)(NC(=O)Cn2ncnn2)CC1 1151137530 AMMPTNIWNOGMTD-UHFFFAOYSA-N 306.370 -0.706 30 20 DBED C=CCN1CC[C@H](N(CC)[C@H](C)CNC(=O)CC(=O)NC)C1=O 1152926322 QASQKGMGFWWRBN-OLZOCXBDSA-N 324.425 -0.264 30 20 DBED O=C(C#CC1CC1)NCCCNCCCN1C(=O)CNC1=O 1157682776 POCDLCXRGHSPQI-UHFFFAOYSA-N 306.366 -0.562 30 20 DBED CN(CC#N)C[C@H]1CCCCN1C(=O)CN1CCN(C)C(=O)C1 1158154875 AQDLZBAFEGPZFL-CQSZACIVSA-N 321.425 -0.403 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)Cn1cncc1C 1162646566 GSGUXPDCZMWFDH-CYBMUJFWSA-N 307.398 -0.022 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@@H]1CCO[C@H]1C1CC1 1162922129 BBJSEYWUUWECPH-HIFRSBDPSA-N 307.394 -0.353 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)c1coc(C(N)=O)c1 1163224086 RDQGUKPRZOTXQJ-JTQLQIEISA-N 322.365 -0.221 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)C[C@H]1CCC(=O)N1 1168239259 JFCRUXUGBNYSQT-VXGBXAGGSA-N 310.398 -0.558 30 20 DBED CC1(C(=O)N2CC[C@@H]3OCCN(CC(=O)NCC#N)[C@@H]3C2)CC1 1177012520 JTRUDWZJVHKKMJ-OLZOCXBDSA-N 320.393 -0.272 30 20 DBED CNC(=O)C1(C(=O)N2CC[C@H]3OCCN(CC#N)[C@H]3C2)CCC1 1177139669 SWSLMNHDXUPULU-QWHCGFSZSA-N 320.393 -0.272 30 20 DBED C=CCN1CC[C@H](NCCCCCCNC(=O)CC(N)=O)C1=O 1178084720 JNIUSOHURSTBLL-ZDUSSCGKSA-N 324.425 -0.085 30 20 DBED C#CCNCCCCCCNC(=O)CCn1ncn(C)c1=O 1179128860 DYWRYGVLJNVAOR-UHFFFAOYSA-N 307.398 -0.129 30 20 DBED C=CCOCCN[C@H]1CCN(C(=O)[C@@H]2CN(C)C(=O)N2)[C@H]1C 1179300422 NGTXPYYALGCHJH-AVGNSLFASA-N 310.398 -0.208 30 20 DBED C#CCNC[C@]1(C)CN(C(=O)c2nnc(O)nc2O)C[C@H]1C 1182029945 KNZQRBCWQOQTSP-YMTOWFKASA-N 305.338 -0.396 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CCN(C)C(=O)C2)C1 1183683415 IZJLMEHHRAUKLV-QWHCGFSZSA-N 322.409 -0.653 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](C)C2)C1 1186941721 OXSAKVGTAUJTFJ-ZIAGYGMSSA-N 307.394 -0.305 30 20 DBED N#CCNC(=O)CN1C[C@@H]2CCN(C(=O)[C@@]34COC[C@@H]3C4)[C@@H]2C1 1187971818 YOFJTTHMVTWJGF-JFILPPLUSA-N 318.377 -0.805 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)CCc2nc[nH]n2)C1 1189575476 UUDUROQNSYMROB-LBPRGKRZSA-N 320.397 -0.428 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)C(C)(C)C(N)=O)C1 1190765858 PUWXPLFPFYIAOE-LLVKDONJSA-N 310.398 -0.667 30 20 DBED C=CCN1CC[C@@H](N2C[C@@H](O)[C@H](NC(=O)C#CC(C)C)C2)C1=O 1192761965 RXZIASFTFRGNNG-RBSFLKMASA-N 319.405 -0.406 30 20 DBED CN(CC(=O)NCC#N)[C@H]1CCN(C(=O)[C@]2(C)CCOC2)C1 1193056515 JUPFHGXDTDBFTA-SWLSCSKDSA-N 308.382 -0.415 30 20 DBED C=C(Cl)C(C)(C)C(=O)N[C@@H]1CN([C@H]2CCNC2=O)C[C@H]1O 1193313033 XLAMVXILVDZYJC-OUAUKWLOSA-N 315.801 -0.185 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2ccc(O)nc2)C1 1193825312 ORAVHDPQGHZHDM-CYBMUJFWSA-N 316.361 -0.317 30 20 DBED C#CCN(C)[C@H]1CCN(C(=O)CCNC(=O)[C@H]2CCCO2)C1 1194494315 REFCPDPYDAFOKV-UONOGXRCSA-N 307.394 -0.162 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)c2cnccn2)CC1 1194681889 MZQAYUBCGLMNNK-UHFFFAOYSA-N 301.350 -0.626 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)[C@@H](OC)c2cnn(C)c2)C1 1195021082 QUQRAOGLVYVUEH-MCIONIFRSA-N 308.382 -0.155 30 20 DBED Cc1nc(C(=O)N2CCCN(CC(=O)NCC#N)CC2)co1 1195620846 RXDMYEUHVNCBOF-UHFFFAOYSA-N 305.338 -0.229 30 20 DBED CCCCC1(C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@H]2O)CC1 1195888904 ZFSOSDGHAYWTKP-CHWSQXEVSA-N 322.409 -0.242 30 20 DBED C=C[C@@](C)(CC)C(=O)N[C@@H]1CN(CCOCCO)C[C@H]1O 1195923917 PLDBHBVBXDSPGK-NFAWXSAZSA-N 300.399 -0.241 30 20 DBED C=CCNC(=O)[C@H](C)N1CCCN(C(=O)C(C)(C)C(N)=O)CC1 1196215587 OJJPWNLYLGQOAZ-LBPRGKRZSA-N 324.425 -0.277 30 20 DBED N#CCNC(=O)CN1CCCN(C(=O)c2ccsn2)CC1 1196252032 YQJZOUKJJPCLJY-UHFFFAOYSA-N 307.379 -0.069 30 20 DBED C#CCNC[C@@H]1CN(C(=O)C(C)(C)S(C)(=O)=O)CCCO1 1201558435 OVACQDQGOTYXEC-GFCCVEGCSA-N 316.423 -0.350 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)[C@@H]2CCO[C@H]2C=C)CC1 1202559951 VHGHLGAPULEUSW-CABCVRRESA-N 319.405 -0.093 30 20 DBED CC#CCNC1CCN(C(=O)c2cn(C)c(=O)nc2O)CC1 1203683360 LIKMQQYSVNQXDF-UHFFFAOYSA-N 304.350 -0.297 30 20 DBED CC(C)C#CC(=O)N1CCC(CNCC(=O)NC(N)=O)CC1 1205211063 OBIDMKOZDXUPMD-UHFFFAOYSA-N 308.382 -0.331 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)C(C)(C)C(N)=O)C1 1208369067 LNWICACWYUQEJJ-LLVKDONJSA-N 310.398 -0.619 30 20 DBED CO[C@@H]1CN(CCc2cnn(C)c2)C[C@H]1NC(=O)[C@H](C)C#N 1212041165 GWPNSWORBXYLRK-MRVWCRGKSA-N 305.382 -0.062 30 20 DBED C#CCN1C[C@@H](NC(=O)C(C)(C)CS(C)(=O)=O)[C@H](OC)C1 1213959384 HCFHWDYRRWQUCF-VXGBXAGGSA-N 316.423 -0.494 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 1219468970 ALXZPLWFYSQRIJ-KGLIPLIRSA-N 302.334 -0.689 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(CCOCC2CC2)C[C@@H]1O 1219536220 MXBDVTRYOSXFOK-YCPHGPKFSA-N 312.410 -0.099 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CN(CCN2CCCC2=O)C[C@@H]1O 1219594123 BNYZOWZJKKUWLT-KGLIPLIRSA-N 305.378 -0.817 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C[C@@H](C)C2CC2)C1 1221108211 SSGDIVQXNGBXBY-BNOWGMLFSA-N 307.394 -0.667 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CSCC#N 1224910785 UOQXUUSATNGAQJ-VXGBXAGGSA-N 323.422 -0.100 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CCCC[C@H]1NC(=O)CC(N)=O 1225500922 HQTNVXRNTWRHQP-QJPTWQEYSA-N 310.398 -0.431 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCCC[C@H]1NC(=O)c1cnn[nH]1 1227268726 GVWHYCCGPQIDDY-IJLUTSLNSA-N 318.381 -0.427 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)[C@@H]2CO[C@@H](C)C2)CC1 1228066597 XEZRHAHUSKUSRD-STQMWFEESA-N 307.394 -0.259 30 20 DBED N#CCN1CCS(=O)(=O)[C@@H](CCNC(=O)c2cc[nH]n2)C1 1230422086 GAZDVULCDQCGNI-JTQLQIEISA-N 311.367 -0.848 30 20 DBED C[C@@H](C#N)C(=O)N(C)C[C@@H]1CCN1CCN1C(=O)CCC1=O 1231293191 KCGOUULODRTFCJ-RYUDHWBXSA-N 306.366 -0.172 30 20 DBED CN(C[C@H]1CCN1CC(=O)NCC#N)C(=O)C1CCC(O)CC1 1233978293 SSHQXKHLQPEGLS-ROKHWSDSSA-N 322.409 -0.290 30 20 DBED CCOC1CC(C(=O)N(C)C[C@@H]2CCN2CC(=O)NCC#N)C1 1234078547 QQCNVQGHYJFEOI-MOKVOYLWSA-N 322.409 -0.026 30 20 DBED C=CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)[C@@]12COC[C@@H]1C2 1234402214 JIDJOLRWNHVYOO-ZENOOKHLSA-N 307.394 -0.142 30 20 DBED COCCCOCC(=O)NCCN/C(O)=C1/N=CC=CC1=O 1254196941 MVUIMIAAGXYPNX-YPKPFQOOSA-N 311.338 -0.318 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)NCCCCn2ccnc2)CCO1 1257332968 RFLGIWSZNFDJHX-GFCCVEGCSA-N 305.338 -0.470 30 20 DBED C[C@@H]1CCN(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)[C@H]1CO 1320606025 KCZYSFCSLFAUAV-FEXCLKTESA-N 322.365 -0.075 30 20 DBED C#CCSCCNC(=O)C(=O)N[C@H](C)CN1CCOCC1 1321510022 UXQWTSNMOBYILQ-GFCCVEGCSA-N 313.423 -0.694 30 20 DBED CC1CCN(CCNC(=O)C(=O)N2CCO[C@@H](C#N)C2)CC1 1322085931 OSFRCKRWVPISTN-ZDUSSCGKSA-N 308.382 -0.415 30 20 DBED CN(C[C@H]1CCC[C@@H]1O)C(=O)C(=O)Nc1cnn(CC#N)c1 1324410416 QAGKETMXOCCJJE-PWSUYJOCSA-N 305.338 -0.035 30 20 DBED Cc1c([C@@H](C)NC(=O)C(=O)N2CCO[C@@H](C#N)C2)cnn1C 1325662908 MXPGAAPHQVFQEU-KOLCDFICSA-N 305.338 -0.343 30 20 DBED CN(CCN1CCCC1)C(=O)C(=O)N1CC[C@](O)(CC#N)C1 1326249779 QKSHEJRAAWAGOK-OAHLLOKOSA-N 308.382 -0.582 30 20 DBED C=CCOCCNC(=O)C(=O)N[C@@H]1CCN(C(=O)OCC)C1 1327818681 MWUZUHBSOHDLIS-LLVKDONJSA-N 313.354 -0.348 30 20 DBED C[C@H](C#N)CN(C)C(=O)C(=O)N=c1ccnc2n(C)[nH]cc1-2 1329082922 WPVYYKBCLGDPFH-SECBINFHSA-N 300.322 -0.102 30 20 DBED C=C[C@H]1CCCCN1C(=O)C(=O)N1C[C@H]2C(=O)N(C)C(=O)[C@H]2C1 1330479191 UMRFYWMLIVMGMG-SDDRHHMPSA-N 319.361 -0.373 30 20 DBED C=C(C)CN(C)C(=O)C(=O)N1CCCN(S(C)(=O)=O)CC1 1331101004 VWRDUHWEGAEFCA-UHFFFAOYSA-N 317.411 -0.485 30 20 DBED C=CCOCCn1nnnc1N1C[C@H](C)O[C@H](C(=O)OC)C1 1334240071 VENACDTWMGJYFR-QWRGUYRKSA-N 311.342 -0.358 30 20 DBED C=CCn1c(C[C@H](C)O)nnc1N1CCN(CCOC)C(=O)C1 1338821353 GSASWKHDPKEIDV-LBPRGKRZSA-N 323.397 -0.318 30 20 DBED C=CCn1c(CCO)nnc1N1CCN(CCOC)C(=O)C1 1339220084 XJHYPRNQXRJKMJ-UHFFFAOYSA-N 309.370 -0.706 30 20 DBED C[S@](=O)CCN1CCN(CC(=O)NC2(C#N)CCC2)CC1 1342005960 YNSAOROKBLLZEA-NRFANRHFSA-N 312.439 -0.455 30 20 DBED N#CC1(NC(=O)COC(=O)Cn2ccc(O)nc2=O)CCC1 1346190966 RQSMBWGWLQZIAO-UHFFFAOYSA-N 306.278 -0.945 30 20 DBED CC(C)OC(=O)CCNC(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1349168483 AHOITWZPBZMAJR-AWEZNQCLSA-N 311.338 -0.679 30 20 DBED C[C@H](NC(=O)C(=O)N1CCC[C@H](CC#N)C1)[C@@H]1CN(C)CCO1 1350823285 RGYSSEIVESYJOL-MJBXVCDLSA-N 322.409 -0.026 30 20 DBED C=CCn1c([C@H]2CCNC(=O)C2)nnc1N1CCCNC(=O)C1 1351862684 WNRKJEYBLPIHRS-NSHDSACASA-N 318.381 -0.216 30 20 DBED COCCn1nc(C(=O)N2CCSC[C@@H]2C#N)ccc1=O 1362567423 KJRPNHPKZOHZGN-JTQLQIEISA-N 308.363 -0.029 30 20 DBED COC[C@@H]1CCCN1NC(=O)CCn1cc(C#N)c(O)nc1=O 1363489343 QZVBKUMFOZHRMZ-NSHDSACASA-N 321.337 -0.647 30 20 DBED CN1CCN(C(=O)CNC(=O)Nc2ccn(CCC#N)n2)CC1 1365486718 YWPMEBZXAUDEMN-UHFFFAOYSA-N 319.369 -0.308 30 20 DBED C[C@@H](NCC(N)=O)[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCO1 1369148714 NRZONWHRIZFNIS-BXKDBHETSA-N 305.338 -0.809 30 20 DBED CNC(=O)NC(=O)[C@H](C)N1CCC(N(C)C(=O)[C@H](C)C#N)CC1 1369761095 VMMNFVVJSGVSEI-MNOVXSKESA-N 323.397 -0.087 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CCN(C(=O)c2ccc(=O)n(C)c2)C1 1407557795 PZBUMEDWMFCLKM-JQWIXIFHSA-N 302.334 -0.124 30 20 DBED C[C@H](C#N)C(=O)N(C)C[C@@H]1CCN(C(=O)CNC(=O)C2CC2)C1 1408986886 MPWKPUJUURETHG-NEPJUHHUSA-N 320.393 -0.021 30 20 DBED CCO[C@H](CC)C(=O)NC[C@@H](O)CNC(=O)c1cc(C#N)c[nH]1 1410090552 FIXCENIINFHEDF-WCQYABFASA-N 322.365 -0.092 30 20 DBED C[C@H](CN(C)C(=O)c1cc(C#N)c[nH]1)NCc1nnn(C)n1 1410339968 OMWJBPFVBALSOD-SECBINFHSA-N 302.342 -0.340 30 20 DBED COc1cncc(NC(=O)Cn2cc(C#N)c(O)nc2=O)c1 1418882507 DFLGFMYYAOKFEV-UHFFFAOYSA-N 301.262 -0.137 30 20 DBED C[C@@H]1NC(=O)[C@H](C)N(C(=O)NCCn2cnc(C#N)n2)[C@@H]1C 1427473698 YSAZTFUKBZGKHA-AEJSXWLSSA-N 305.342 -0.543 30 20 DBED COCc1nocc1C(=O)N(C)C[C@H](O)CNC(=O)[C@H](C)C#N 1444691721 UIDXLAJACZQWTL-NXEZZACHSA-N 324.337 -0.470 30 20 DBED C[C@H](C#N)C(=O)N[C@H](CNC(=O)CN1CCOCC1)C1CC1 1447144241 RPSNTZJOCMUIGY-DGCLKSJQSA-N 308.382 -0.511 30 20 DBED C[C@@H](CNC(=O)c1cccn2c(O)nnc12)NC(=O)[C@@H](C)C#N 1448085912 SVCIWEXQSAVHNA-IUCAKERBSA-N 316.321 -0.171 30 20 DBED COCCN(CCNC(=O)[C@@H](C)C#N)C(=O)Cn1ccnc1C 1452150858 KFIRSNDOXTXLIL-LBPRGKRZSA-N 321.381 -0.058 30 20 DBED Cn1c(=O)[nH]c(NC[C@@H]2CN3CCC[C@H]3CO2)c(C#N)c1=O 1472677093 GONFWBVIUWVWLS-VHSXEESVSA-N 305.338 -0.780 30 20 DBED C[C@H](C#N)C(=O)N1CCC(O)(CN[C@H](C)c2nncn2C)CC1 1484949392 FPERUFFCBPCNLK-VXGBXAGGSA-N 320.397 -0.021 30 20 DBED C=C(Cl)CNC[C@H](O)CN(C)C(=O)c1ccc2nnnn2c1 1486289099 HXIJWRDEDDXPRS-NSHDSACASA-N 324.772 -0.101 30 20 DBED C[C@H](CN(C)c1cnc(-c2nn[nH]n2)cn1)NC(=O)[C@H](C)C#N 1574810802 YDKKFKGHROBALH-RKDXNWHRSA-N 315.341 -0.243 30 20 DBED C[C@H]1CN(CCO)CCN1c1cnc(C#N)c(-c2nn[nH]n2)n1 1576361043 QHFIBXPHZGIKGZ-VIFPVBQESA-N 315.341 -0.969 30 20 DBED C#CCN1C[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@H](OC)C1 1588353617 YTNWETHESQKCBP-VXGBXAGGSA-N 315.337 -0.743 30 20 DBED C=CCN(CC=C)C(=O)C(=O)N1C[C@@H]2C[C@@H](N)C[C@]2(C(=O)O)C1 1588825267 IXSQQWFGRUFSDK-OZVIIMIRSA-N 321.377 -0.163 30 20 DBED N#Cc1cccc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)O)c1 1594625455 HTHSLLXHURHVIP-NSHDSACASA-N 308.315 -0.118 30 20 DBED N#Cc1ccc(S(=O)(=O)NC2(C(N)=O)CC2)c(C(=O)O)c1 1601112614 FUBXMMIXYRTITL-UHFFFAOYSA-N 309.303 -0.447 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CCN(c2ccnc(C(=O)O)n2)C1 1602726505 QTUGAXCUEXBHQZ-GHMZBOCLSA-N 318.333 -0.092 30 20 DBED COCC#CCOC(=O)C1(C(=O)O)CCS(=O)(=O)CC1 1604505173 PJKHJJMCXMHLRA-UHFFFAOYSA-N 304.320 -0.541 30 20 DBED N#CC1(C(=O)N2CC(n3cc(C(=O)O)nn3)C2)CCOCC1 1610619157 QQBBLJLXOILJEG-UHFFFAOYSA-N 305.294 -0.320 30 20 DBED Cc1onc(CC(=O)N2CCC[C@@H](S(N)(=O)=O)C2)c1C#N 1647132797 MVSHZBXRSUWMRI-SECBINFHSA-N 312.351 -0.323 30 20 DBED C[C@@H](C#N)C(=O)NCCCN1CCN([C@H]2CCNC2=O)CC1 1752341718 NPWLXMWJWPLRQU-STQMWFEESA-N 307.398 -0.842 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NCCN1CCN(CC#N)CC1 1752375321 XTPWZMZMNXEFKB-HNNXBMFYSA-N 321.425 -0.285 30 20 DBED C#CCNC(=O)CN[C@H](C)CNC(=O)c1cnc2cccnn12 1752903888 UDYKHIGPQCOPFI-LLVKDONJSA-N 314.349 -0.813 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)NC[C@@H](C)NC[C@@H](C)O 1752920262 AICMWYLAKXVVDZ-GHMZBOCLSA-N 300.403 -0.275 30 20 DBED C#CCNC(=O)CNC[C@H]1CCC[C@H]1NC(=O)c1ccnn1C 1753880173 NTOCQZDPOJXMDT-CHWSQXEVSA-N 317.393 -0.342 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)/C=C\c1ccc[nH]1 1753909978 NRMFHDZBRVZTGP-SLBFPRPFSA-N 318.377 -0.768 30 20 DBED C[C@H](CNCCN1C(=O)CNC1=O)NC(=O)c1ccc(C#N)[nH]1 1754223568 CGNZYCHHUFGMOZ-SECBINFHSA-N 318.337 -0.854 30 20 DBED CN(C)CCCCC(=O)N[C@H]1[C@H]2C[C@H]1N(CC(=O)NCC#N)C2 1754430198 HFOCLPZYCTUSER-ZENOOKHLSA-N 321.425 -0.453 30 20 DBED C[C@@H](NCC(=O)NCC#N)[C@@H]1CCN(C(=O)CN2CCCC2)C1 1754808285 ZXLISYUZZICPCX-ZIAGYGMSSA-N 321.425 -0.451 30 20 DBED C=C(C)CNC[C@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@H]1C 1754817217 MJIFSFYJYZQLSB-KGLIPLIRSA-N 308.426 -0.322 30 20 DBED CN(C)c1cnc(C(=O)N2CCC[C@](CO)(NCC#N)C2)cn1 1755083557 UCBISGSHYMJBGK-HNNXBMFYSA-N 318.381 -0.377 30 20 DBED C#CCNC(=O)[C@@H](C)NCC1CC(NC(=O)C(C)(C)C(N)=O)C1 1755213170 WBXQGFJPKGKHAG-VOMCLLRMSA-N 322.409 -0.880 30 20 DBED COCC#CCN1CC([C@H](C)NC(=O)CCn2cnnn2)C1 1755389286 SVBHQRVVMVXYHI-LBPRGKRZSA-N 306.370 -0.851 30 20 DBED CN(CCOCCNC(=O)CC#Cc1ccccc1)CC(N)=O 1755546380 WZDBVMGOZDAQHZ-UHFFFAOYSA-N 317.389 -0.022 30 20 DBED C#CCNC(=O)CNC[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCOC1 1755555322 JAJXLGZLSLUYPL-KGLIPLIRSA-N 307.394 -0.401 30 20 DBED C[C@H]1C[C@@H](NCC(=O)NCC#N)CN1C(=O)Cc1cncn1C 1755690208 UEHLDTRELBMRQF-NWDGAFQWSA-N 318.381 -0.819 30 20 DBED CC(C)C#CC(=O)NC[C@H]1[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@H]12 1756197528 KWRCKPTZBVAXIP-ITGHMWBKSA-N 317.389 -0.412 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1[C@@H]2CN(C(=O)CC(=O)NC)C[C@@H]12 1756197774 ABFGHYAATOPKBZ-MKBNYLNASA-N 323.393 -0.730 30 20 DBED C=CCO[C@H](C)C(=O)NC[C@@H](O)CN(C)C(=O)c1cnn(C)c1 1756650524 SSNCBEJOLVCSJE-DGCLKSJQSA-N 324.381 -0.440 30 20 DBED C#CCCCC(=O)N(C)C[C@H](O)CNC(=O)[C@H]1CC(=O)N(C)C1 1756660584 JNOZEHOLNSTJBQ-QWHCGFSZSA-N 323.393 -0.796 30 20 DBED C#CCCCCC(=O)NC[C@@H]1CN(C(=O)C(N)=O)CCCO1 1756842073 NWNWJQJOFHWPHM-GFCCVEGCSA-N 309.366 -0.601 30 20 DBED C#CCCCCCC(=O)N[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1O 1757021904 DLFOPRCNNRKNQK-VXGBXAGGSA-N 319.365 -0.310 30 20 DBED C=CC(C)(C)CC(=O)N[C@@H]1CN(C(=O)c2cnnn2C)C[C@@H]1O 1757177634 MEHHOEURAAHBJW-PWSUYJOCSA-N 321.381 -0.281 30 20 DBED CN1CC(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CC#N)C[C@@H]32)C1 1791793926 AXMJFQRUBFYJLL-UBHSHLNASA-N 320.393 -0.559 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](N)CN 1847812200 KQPNQFRQHMJDNC-CYDGBPFRSA-N 310.398 -0.935 30 20 DBED Cn1cc(C#N)c(=O)n(CC(=O)Nc2cccc(C#N)c2)c1=O 11457156 ZYGJRUTUWQAHFZ-UHFFFAOYSA-N 309.285 -0.071 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O 23422562 AIMVRPWTRLORLM-SDDRHHMPSA-N 320.345 -0.157 30 20 DBED C/N=C(/NCC1(CO)CCOCC1)N1CCO[C@H](COC)C1 261648257 AULOJJZCTJWETE-ZDUSSCGKSA-N 315.414 -0.302 30 20 DBED COC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)C#Cc1ccccc1 275255215 IZKRAYCNMKOPKG-ZDUSSCGKSA-N 321.354 -0.163 30 20 DBED N#Cc1ccc(Cl)c(NC(=O)C(=O)N2C[C@@H](O)[C@H](O)C2)c1 277595264 SVELDEDBPJMIMJ-GHMZBOCLSA-N 309.709 -0.286 30 20 DBED COCC(=O)N1CCN(S(=O)(=O)c2cncc(C#N)c2)CC1 289875541 RCSOJKIPUUMHLE-UHFFFAOYSA-N 324.362 -0.567 30 20 DBED C/N=C(/O)C1CN(C(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccnn2C)C1 329142928 VHXBLOSBGNOIQF-ZWNOBZJWSA-N 319.365 -0.016 30 20 DBED CCNC(=O)CN1CCN(/C(O)=N/Cc2nccn2C)CC1 330562700 IUXOGJORZNOFIN-UHFFFAOYSA-N 308.386 -0.412 30 20 DBED CS(=O)(=O)NC[C@@H]1CCCN(S(=O)(=O)CCCC#N)C1 330697837 LDOHAVCBBXALKL-NSHDSACASA-N 323.440 -0.119 30 20 DBED CNC(=O)[C@@]1(C)CCN(S(=O)(=O)N(C)[C@H](C)CC#N)C1 337810799 LQHIZRUSBPZJCV-PWSUYJOCSA-N 302.400 -0.077 30 20 DBED COC(=O)[C@@H]1COCCN1S(=O)(=O)N(C)[C@@H](C)CC#N 337989056 IGFRNFROKHKCTG-UWVGGRQHSA-N 305.356 -0.661 30 20 DBED CN(CCS(=O)(=O)c1ccc(C#N)cn1)[C@H]1COC[C@H]1O 343935395 IXIWUFYDWORSEP-NWDGAFQWSA-N 311.363 -0.582 30 20 DBED COC(=O)CN(CC#N)C(=O)CN1C(=O)c2ccccc2C1=O 348803004 WBPVVABNMNUKPU-UHFFFAOYSA-N 315.285 -0.192 30 20 DBED CCNC(=O)CN1CCCN(S(=O)(=O)[C@@H](C)C#N)CC1 352415727 ZDEAYRSAWQCRGY-NSHDSACASA-N 302.400 -0.628 30 20 DBED C=C[C@@H](CO)NC(=O)C(=O)Nc1ccc2c(c1F)CCNC2=O 354682494 BLRLWZNBOAIPTF-QMMMGPOBSA-N 321.308 -0.287 30 20 DBED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2C[C@@H](F)C[C@@H]2CO)n1 356087576 KTSGGJOISADTMS-WDEREUQCSA-N 323.328 0.205 30 20 DBED C=CCOC[C@H](NS(=O)(=O)C[C@H]1CCCO1)C(=O)OC 360613427 ONVVRWZDXUGAOB-MNOVXSKESA-N 307.368 -0.171 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCO[C@@H]2C2CC2)C1=O 372374984 IWVIORSIHLEDPO-ZYHUDNBSSA-N 321.333 -0.353 30 20 DBED N#Cc1ncn(CC(=O)NCC(=O)N2CCc3ccccc32)n1 426443804 FRMCFBXRLGNGQZ-UHFFFAOYSA-N 310.317 -0.145 30 20 DBED C#CCNC(=O)CN1CCN(CCC(=O)NCCCC)CC1 491716160 SDYUAGUSIFTGJW-UHFFFAOYSA-N 308.426 -0.340 30 20 DBED C=CCN(CC(=O)O)S(=O)(=O)c1cccc(-n2cnnn2)c1 547903441 ZQJPTHHNWAQXDQ-UHFFFAOYSA-N 323.334 -0.076 30 20 DBED O=C(Cn1cc(C(=O)NCC#CCO)cn1)NC1CCCC1 574292515 PFQXDRREZZLBTO-UHFFFAOYSA-N 304.350 -0.333 30 20 DBED CC(=O)N[C@@H]1CCN(C(=O)C(=O)Nc2cc(C)c(C#N)cn2)C1 594303156 AGSOAJNVGOWMAH-GFCCVEGCSA-N 315.333 -0.063 30 20 DBED C[C@@H]1[C@@H](CO)CCCN1S(=O)(=O)N1CCO[C@@H](C#N)C1 594783545 QSCDKMDXOAIJCK-UTUOFQBUSA-N 303.384 -0.452 30 20 DBED CN(C(=O)N1CCN(CCC#N)CC1)[C@@H]1CCS(=O)(=O)C1 601535875 FVQYKAQYXVCOAB-GFCCVEGCSA-N 314.411 -0.243 30 20 DBED N#CCCN1CCN(CC(=O)NC(=O)NCC(F)(F)F)CC1 611174617 JBNKUJKBWGPZDK-UHFFFAOYSA-N 321.303 -0.094 30 20 DBED C[C@@H](C#N)CNC(=O)N1CCN(S(=O)(=O)N(C)C)CC1 611634078 LRVOYRGHUMGXHR-JTQLQIEISA-N 303.388 -0.720 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H]2[C@@H](C)O)C1=O 618915247 USAJRZVZCIOPGZ-NXEZZACHSA-N 309.322 -0.665 30 20 DBED N#CCNC(=O)COC(=O)CNC(=O)c1cc(F)cc(F)c1 731245556 JLYKISXBIWTTGE-UHFFFAOYSA-N 311.244 -0.122 30 20 DBED C#CCOc1cc(F)ccc1NC(=O)C(=O)NCc1nn[nH]n1 743915478 JOJJGIFJSXMDKW-UHFFFAOYSA-N 318.268 -0.394 30 20 DBED C=CCS(=O)(=O)CCN1C(=O)[C@@H](COCC)N(C)C1=O 762297161 PHFKZYUEOVSZPN-SNVBAGLBSA-N 304.368 -0.114 30 20 DBED C#CCC[C@H](O)CNC(=O)CNS(=O)(=O)c1cccs1 799078400 AIPVPZRLFIHYLU-JTQLQIEISA-N 316.404 -0.083 30 20 DBED CC[S@@](=O)CCNS(=O)(=O)N(CCC#N)CCOC 800050731 DUIIVWQJHKJWGS-GOSISDBHSA-N 311.429 -0.549 30 20 DBED CON=CC(=O)N[C@H](Cc1ccccc1)C(=O)NCCC(N)=O 809727332 WHBODZHZFDLKDH-GFCCVEGCSA-N 320.349 -0.662 30 20 DBED CN(C)S(=O)(=O)CCS(=O)(=O)N(CCC#N)CC1CC1 820790183 AOSHWFLTZIPFEU-UHFFFAOYSA-N 323.440 -0.167 30 20 DBED C=CC[C@H](CO)CNC(=O)CNc1ccc(-c2nn[nH]n2)cn1 823888699 UIZBLCOLJVVFQS-JTQLQIEISA-N 317.353 -0.026 30 20 DBED Cn1c(=O)n(CCC(=O)N[C@@H]2CNC[C@@H]2C#N)c2ccccc21 834516495 IZZMBUNXHBVWJN-NWDGAFQWSA-N 313.361 -0.042 30 20 DBED CCN(C[C@@H](C)C#N)C(=O)COC(=O)C1(n2cnnn2)CC1 849996074 TVYCBINVIWRZNC-JTQLQIEISA-N 306.326 -0.286 30 20 DBED CO[C@](C)(C(=O)O)C(=O)NS(=O)(=O)c1cncc(C#N)c1 863962516 NNGFVMLLOJMLRB-NSHDSACASA-N 313.291 -0.752 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCCCC[C@@H]2CO)C1=O 911959367 SAFKSJJEURADGI-LLVKDONJSA-N 323.349 -0.273 30 20 DBED C[C@H](CO)NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 914537621 XLDSKKJOBSBNDR-SECBINFHSA-N 311.363 -0.388 30 20 DBED C=CCC[C@H]1NC(=O)N(CCOCCS(C)(=O)=O)C1=O 927551753 HZRDCCDDWBVBMI-SNVBAGLBSA-N 304.368 -0.066 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CN1CCCCC1=O 937516828 FIHIZKHKWBDAEG-AVGNSLFASA-N 318.377 -0.030 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C2CN(Cc3ncnn3C)C2)CC1 941349519 YBFLHJYLJXXGTB-LBPRGKRZSA-N 317.397 -0.697 30 20 DBED C[C@H](C#N)C(=O)N1CCCN(C(=O)[C@@H]2CCC(=O)NC2)CC1 941564848 KQAOSPKJHTWPLS-VXGBXAGGSA-N 306.366 -0.267 30 20 DBED C[C@H](C#N)C(=O)N1CCCC[C@H](NC(=O)Cn2nccn2)C1 943273601 PPDXKNFYVNCCLO-NEPJUHHUSA-N 304.354 -0.065 30 20 DBED C=CC(C)(C)C(=O)N1CCO[C@H](CNC(=O)[C@H]2CCNC2=O)C1 944704698 SWCOCMDBDWLLBW-NEPJUHHUSA-N 323.393 -0.322 30 20 DBED N#CCN1C[C@H]2CCN(C(=O)CN3C(=O)CCC3=O)CC[C@H]2C1 946887629 MNKGNRYHBYSBCF-BETUJISGSA-N 318.377 -0.171 30 20 DBED C[C@H](C#N)C(=O)N1CCC(NC(=O)c2nnc(O)nc2O)CC1 948099137 PZEFRULNSDPWHZ-SSDOTTSWSA-N 320.309 -0.837 30 20 DBED C=C(C)CN1CCC2(CC1)CN(C(=O)Cn1cnnn1)CCO2 949021227 KAILIWKMVQAYJT-UHFFFAOYSA-N 320.397 -0.057 30 20 DBED C#CCCN1CCN(C(=O)CCc2nnc(O)nc2O)CC1 949069885 SABQRCBTNQUQFD-UHFFFAOYSA-N 305.338 -0.617 30 20 DBED CN1CCOC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)C#CC1CC1 949482675 YEMYBSRGQXOXKM-KBPBESRZSA-N 305.378 -0.553 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@](C)(NC(=O)c2c[nH]c(C(N)=O)c2)C1 956954690 ZGFCZJVUBFTDFJ-BJOHPYRUSA-N 317.349 -0.006 30 20 DBED CC(C)(C)n1cc(C(=O)NC[C@@H]2CN(CC#N)C[C@@H]2O)nn1 958126063 HCFGGDJRVQKFLW-PWSUYJOCSA-N 306.370 -0.421 30 20 DBED C=CCN1C[C@H](O)[C@H](CNC(=O)c2cnn3ncccc23)C1 958134503 FETYRVAUBTXJDB-RISCZKNCSA-N 301.350 -0.062 30 20 DBED Cc1nc2c(C(=O)NC[C@@H]3CN(CC#N)C[C@H]3O)ccnc2[nH]1 958273183 OUDYEMMCNKUOLF-ZYHUDNBSSA-N 314.349 -0.188 30 20 DBED CCc1cc(C(=O)NC[C@H]2CN(CC#N)C[C@@H]2O)c(C)nn1 958283249 JAXBGUVDVXCRSL-FZMZJTMJSA-N 303.366 -0.107 30 20 DBED C#Cc1cncc(C(=O)NC[C@@H]2CN(CCOC)C[C@H]2O)c1 958389606 ISDDPSAKLNWJFO-HUUCEWRRSA-N 303.362 -0.268 30 20 DBED C=C(C)CCN1C[C@H]2[C@H](NC(=O)C[C@@H]3NC(=O)NC3=O)[C@H]2C1 960353508 WBPAYPJWTWKKIY-SRRSOLGSSA-N 306.366 -0.403 30 20 DBED C=CCCN1C[C@H]2[C@H](NC(=O)[C@H]3CCN(C)S3(=O)=O)[C@H]2C1 962011283 PNWOFRQQEKNEBF-XQHKEYJVSA-N 313.423 -0.357 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H]2CC23CCN(C(=O)C(N)=O)CC3)c1 963491685 XPBSHJMCRZJPLS-NSHDSACASA-N 315.333 -0.517 30 20 DBED C[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)Cn1ncnn1 966407424 HVEZQVJDUYLPTC-CMPLNLGQSA-N 302.338 -0.950 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@@H](NCc3nnn(C)n3)C2)cn1 970519815 OZDYTLDZFXUURO-CYBMUJFWSA-N 311.349 -0.409 30 20 DBED CN1CCO[C@H](C(=O)N2CC[C@]3(CN(CC#N)CCO3)C2)C1 972314337 CNANRKNAGKSTGN-ZFWWWQNUSA-N 308.382 -0.856 30 20 DBED C=C(C)CN1CCO[C@@]2(CCN(C(=O)[C@H]3CN(C)C(=O)N3)C2)C1 972503820 JFFXTDFFWIEPOP-CJNGLKHVSA-N 322.409 -0.111 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)[C@H]3CCC(=O)NC3)[C@H]2C1 976795806 AKPXQBQPDXGSJR-HKLXJQGRSA-N 304.350 -0.755 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](CNC(=O)c2nnc(O)nc2O)C1 983218360 XMVBGFQOVVQGNQ-SFYZADRCSA-N 320.309 -0.979 30 20 DBED Cc1ccc(=O)n(CC(=O)N2CCC(N(C)CC#N)CC2)n1 985763567 FMHKJWPINRPWLC-UHFFFAOYSA-N 303.366 -0.002 30 20 DBED C=C(C)CN[C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)[C@@H]1C 986295343 TWZHXJDKIMQNHN-GHMZBOCLSA-N 306.370 -0.468 30 20 DBED C#CCN1CC[C@@]2(NC(=O)Cn3ccc(O)nc3=O)CCC[C@H]12 991650580 BNTGHJYRXBAZAQ-LRDDRELGSA-N 316.361 -0.305 30 20 DBED C=C1CCC(C(=O)N[C@H]2CCN(C(=O)C(N)=O)C[C@H]2O)CC1 991761259 WRLDFFVIVGVDNO-NWDGAFQWSA-N 309.366 -0.704 30 20 DBED C#CCN1CC[C@@]2(NC(=O)C3CC(=O)NC(=O)C3)CCC[C@@H]12 992319343 APFCTBQKOCEGLM-WBMJQRKESA-N 303.362 -0.214 30 20 DBED CC#CCN1CCC[C@H](NC(=O)CN2C(=O)CNC2=O)[C@@H]1C 994360335 DOHGNIHQEWHROR-RYUDHWBXSA-N 306.366 -0.469 30 20 DBED O=C1CC[C@@H](C(=O)NC2CN(C(=O)C#CC3CC3)C2)CCN1 996531266 AZENUIWINXVMBP-GFCCVEGCSA-N 303.362 -0.357 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(=O)NCCN(C(C)=O)CC1 1001780071 PNWBBGQBNRRHOS-KGLIPLIRSA-N 323.393 -0.226 30 20 DBED C[C@H](C#N)C(=O)N1CC(CNC(=O)c2cc(C(N)=O)ccn2)C1 1003166688 WYBXHWURSUCKEF-SECBINFHSA-N 315.333 -0.472 30 20 DBED O=C1CC[C@@H](C(=O)NCC2CN(C(=O)C#CC3CC3)C2)CCN1 1003349783 PUEDEJBCLMLMHQ-CQSZACIVSA-N 317.389 -0.109 30 20 DBED O=C1NCC[C@@H]1C(=O)NC[C@H]1[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]12 1009328487 CFMFQDHNHDACIN-XDQVBPFNSA-N 315.373 -0.644 30 20 DBED C#CCCN1CCC[C@H](NC(=O)c2cn(C)c(=O)nc2O)C1 1009499082 WZIFANGMSAAZFV-NSHDSACASA-N 304.350 -0.297 30 20 DBED COCC(=O)N1CCO[C@@H]([C@@H](C)NC(=O)c2c[nH]c(C#N)c2)C1 1009606313 GHAITBCOHRXFJT-ZWNOBZJWSA-N 320.349 -0.122 30 20 DBED COc1cc(C(=O)N2CCN(C(=O)[C@@H](C)C#N)CC2)ncn1 1011177104 ASVYNGUZJMHZGT-JTQLQIEISA-N 303.322 -0.071 30 20 DBED C#Cc1ccc(C(=O)NC2[C@@H]3CN(C(=O)c4nc[nH]n4)C[C@@H]23)cn1 1013514028 VLBWVCNVMOXXSF-VXGBXAGGSA-N 322.328 -0.319 30 20 DBED O=C1NC[C@H](C(=O)N[C@@H]2CCN(CC#Cc3ccccc3)C2)N1 1015634597 MVEPCWUYLNKESC-HUUCEWRRSA-N 312.373 -0.090 30 20 DBED C#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnc(O)n(C)c1=O 1017789471 SOPXRRZTFJMLCD-PHIMTYICSA-N 302.334 -0.592 30 20 DBED C[C@@H]1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)CN1C(=O)CC(N)=O 1018088182 MWMIBFJRGTXVSE-KOLCDFICSA-N 317.349 -0.129 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](NCc2nc(O)n[nH]2)C1 1020604556 CZOBPDPIGJUZBT-DBIOUOCHSA-N 307.354 -0.162 30 20 DBED C=CCn1cc(C(=O)N[C@H]2C[C@@H](N[C@H]3CCNC3=O)C2)nn1 1022824461 CIFMJUCJLWISFN-AXFHLTTASA-N 304.354 -0.797 30 20 DBED N#CCN1CCC[C@@H](CNC(=O)[C@H]2CCc3nnnn3CC2)C1 1023605453 ZYUONLQCSCWASV-STQMWFEESA-N 317.397 -0.023 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H](N(C)CC(=O)N2CCOCC2)C1 1027335242 DSNHQJCVFHTLJT-UONOGXRCSA-N 322.409 -0.072 30 20 DBED CS(=O)(=O)CCN1CC[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 1028488960 NWHPFWNJXHRIOF-LLVKDONJSA-N 324.406 -0.017 30 20 DBED CC#CCN1[C@H]2CC[C@H]1CN(C(=O)CN1CC(=O)NC1=O)C2 1029516767 IDWDCXFTXOIXFN-RYUDHWBXSA-N 304.350 -0.763 30 20 DBED C#Cc1cncc(C(=O)N2C[C@@H]3C[C@H]2CN3[C@@H]2CCNC2=O)c1 1032617408 AEDLZERMCCZEBY-SOUVJXGZSA-N 310.357 -0.150 30 20 DBED CC#CCN1CCO[C@H](CNC(=O)c2cc(C(N)=O)co2)C1 1035506892 YXHRXRPHFXIXAW-GFCCVEGCSA-N 305.334 -0.168 30 20 DBED C#CCN1CCO[C@H](CNC(=O)c2cnn(CCOC)c2)C1 1035596303 QKXNIQDUGBGYCD-CQSZACIVSA-N 306.366 -0.407 30 20 DBED C=CCN1CC[C@H]2CN(C(=O)CN3CC(=O)N(C)C3=O)CC[C@H]21 1036868245 JGJROXOZCLYXNV-QWHCGFSZSA-N 320.393 -0.011 30 20 DBED Cc1conc1C(=O)NC[C@]1(O)CCN(C(=O)[C@H](C)C#N)C1 1040905596 ALZZWFWBKXWCOD-YMTOWFKASA-N 306.322 -0.164 30 20 DBED N#Cc1cnccc1N1C[C@@H](O)[C@H](NC(=O)c2ccncn2)C1 1041130489 NWJNZROOHSCBLQ-TZMCWYRMSA-N 310.317 -0.277 30 20 DBED CO[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2c[nH]c(C#N)c2)C1 1042669260 JTIAOZICTMEOPN-VIFPVBQESA-N 306.322 -0.776 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)CCCC(=O)NC)C1 1042802278 HYOXWGPQISXDBR-UHFFFAOYSA-N 323.393 -0.604 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)c2ncccn2)C1 1042937431 GUOVQBSIENNBOL-UHFFFAOYSA-N 302.334 -0.561 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)CO[C@@H]2CCOC2)C1 1043046564 DVAHHBZRMOLIHW-GFCCVEGCSA-N 312.366 -0.552 30 20 DBED C=C(C)C[C@H](C)C(=O)N1CC(O)(CNC(=O)c2cnn[nH]2)C1 1043815702 LGWWQWCHFBTZCO-JTQLQIEISA-N 307.354 -0.290 30 20 DBED C[C@H](C(=O)NCC1(O)CN(C(=O)[C@H](C)C#N)C1)C1CCOCC1 1043828535 BHEIYCJDUZSBNS-NEPJUHHUSA-N 323.393 -0.102 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CN(c3ncc(F)cn3)C[C@@H]2O)[nH]1 1043892113 PQTTUADRQKJYSN-NEPJUHHUSA-N 316.296 -0.205 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCCN2C(C)=O)C1 1044269066 GXHPDQSABNOBLO-ZDUSSCGKSA-N 323.393 -0.347 30 20 DBED CCc1ncncc1C(=O)N1CC(O)(CNC(=O)[C@H](C)C#N)C1 1045554711 HSEAHMFZACJVFQ-SNVBAGLBSA-N 317.349 -0.498 30 20 DBED N#CCN1CC[C@H](N2CCN(C(=O)c3nccnc3N)CC2)C1 1046014474 XQRXRYAMXLTWPH-LBPRGKRZSA-N 315.381 -0.586 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)CN2CCC(C)(C)C2)C1 1046695115 CQUTWTOCQAWDAP-GFCCVEGCSA-N 322.409 -0.433 30 20 DBED CN(C(=O)C#CC1CC1)[C@H]1CN(C(=O)c2cnco2)C[C@@H]1O 1048828107 FKFIEUBCBLYFDM-RYUDHWBXSA-N 303.318 -0.268 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cn2nccn2)C1 1048907404 IXZXTECEJCPZTJ-RYUDHWBXSA-N 307.354 -0.726 30 20 DBED CC(=O)N1CCO[C@H](C(=O)N2CCC[C@H]3CN(CC#N)C[C@H]32)C1 1050192409 JUXODBCCVZXEDS-ZNMIVQPWSA-N 320.393 -0.320 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC2(CCN(CC(N)=O)CC2)C1 1050551276 UWRKADQGOWUSCC-AWEZNQCLSA-N 318.421 -0.506 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1COCCN1Cc1cnon1 1051123826 HGFRMYRJEVVGFX-MCIONIFRSA-N 322.365 -0.022 30 20 DBED C#CCN1CCN([C@H]2CCN(C(=O)CCn3ccnn3)C2)CC1 1052021641 QIKBCEJMTIAIJT-HNNXBMFYSA-N 316.409 -0.480 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1C 1052669254 PGZDTYNOTAMBEZ-NWDGAFQWSA-N 322.369 -0.914 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)Cn2ncnn2)C[C@H]1C 1052670068 XCGUGKKVSUVSIE-NEPJUHHUSA-N 306.370 -0.150 30 20 DBED C#CCN1CC2(CC[C@@H](CNC(=O)[C@H]3OCCO[C@H]3C)O2)C1 1053613622 KMRJBLJZLLGWDH-IHRRRGAJSA-N 308.378 -0.227 30 20 DBED Cc1ccn(CC(=O)N[C@@H]2COC3(C2)CN(CC#N)C3)c(=O)c1 1053945295 RVZLJTCDRUDYRK-ZDUSSCGKSA-N 316.361 -0.360 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)[C@H]3CCCS3(=O)=O)CO2)C1 1054012534 FNNISFBWLLGOTE-GHMZBOCLSA-N 313.379 -0.953 30 20 DBED C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1NCc1nnn(C)n1 1054585810 BVGYJZGNNVRHLS-BXKDBHETSA-N 314.353 -0.340 30 20 DBED N#Cc1ccc(N2CCN(C(=O)CO[C@H]3CCOC3)CC2)nn1 1055910850 KMLUVHOYQDETQK-ZDUSSCGKSA-N 317.349 -0.198 30 20 DBED C=C(C)C[C@@H](C)C(=O)N[C@@]1(CO)CCCN(C(=O)C(N)=O)C1 1056065997 SEZFZOJKWIMXOU-ABAIWWIYSA-N 311.382 -0.456 30 20 DBED Cc1nc(N[C@@H]2CCN(C(=O)[C@H]3CNC(=O)N3)C2)ccc1C#N 1056764466 WZSKQAJWYLTGQU-VXGBXAGGSA-N 314.349 -0.044 30 20 DBED CN(c1ccncc1C#N)[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 1057012542 JRRWXFNJNKDQAZ-NEPJUHHUSA-N 314.349 -0.328 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)[C@@H]1C[C@H]2C=C[C@H]1O2 1057198366 XPOZROULEXFEEF-MGPQQGTHSA-N 324.377 -0.530 30 20 DBED CC[C@@H](OC)C(=O)NCCN(CCO)C(=O)c1ccc(C#N)[nH]1 1057366747 DPLQDUBQTACDFJ-CYBMUJFWSA-N 322.365 -0.138 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)c1ccn(C)n1 1057446446 DDEGCMIFCSUUCH-UHFFFAOYSA-N 306.366 -0.226 30 20 DBED N#Cc1cncc(N2CCC[C@@H](NC(=O)[C@@H]3COCCO3)C2)n1 1058120647 SWKJZJBNIWRJKH-YPMHNXCESA-N 317.349 -0.151 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 1058223289 LKQATTNRHDARAL-XDQVBPFNSA-N 323.393 -0.102 30 20 DBED N#Cc1cncc(N2CCC[C@@H](NC(=O)[C@@H]3CNC(=O)N3)C2)n1 1058231316 DZEWFWUQAHVITB-KOLCDFICSA-N 315.337 -0.885 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H]2CCN(c3nccn4nnnc34)C2)c1 1058323338 VANCIBSUNDITFB-JTQLQIEISA-N 323.320 -0.272 30 20 DBED CN1CC[C@@H](C(=O)N[C@@H]2CCN(c3cncc(C#N)n3)C2)C1=O 1058515214 WVCVSXLQUBRWKQ-PWSUYJOCSA-N 314.349 -0.479 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)c1ccc(C#N)[nH]1 1058652974 JGPDBVDISRAHGO-SNVBAGLBSA-N 303.322 -0.403 30 20 DBED CC[C@H](NC(C)=O)C(=O)N(CCO)CCNC(=O)C#CC1CC1 1058925975 GMNMYBZWGPMNAS-AWEZNQCLSA-N 323.393 -0.748 30 20 DBED CC(=O)N1CC(C(=O)N[C@H]2C[C@@H](Nc3cnc(C#N)cn3)C2)C1 1059615928 ROECSONHQDNEQY-TXEJJXNPSA-N 314.349 -0.114 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H]1CCN(C(=O)Cn2nccn2)C1 1060925749 WMZZKYNYZVCHEW-GFCCVEGCSA-N 311.349 -0.073 30 20 DBED N#Cc1ccc(NC[C@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)C2)nn1 1060972403 JYESOHYIZVZMRD-KOLCDFICSA-N 315.337 -0.710 30 20 DBED O=C(C#CC1CC1)NC[C@H]1COCCN1C(=O)c1cccnn1 1061571804 HPSFIBIUCDIDFW-ZDUSSCGKSA-N 314.345 -0.153 30 20 DBED CNC(=O)C1(C(=O)NC[C@@H]2COCCN2C(=O)[C@H](C)C#N)CC1 1061700521 GFOPCQFFMOHNEE-GHMZBOCLSA-N 322.365 -0.984 30 20 DBED Cc1c[nH]nc1C(=O)N1CCOC[C@H]1CNC(=O)[C@@H](C)C#N 1061848871 WDWKVKRDZTYOOR-GXSJLCMTSA-N 305.338 -0.165 30 20 DBED CN(C(=O)c1nnn(C)n1)[C@H]1CCN(c2ccc(C#N)nn2)C1 1063012396 DYRQEJMDEVKEQS-JTQLQIEISA-N 313.325 -0.777 30 20 DBED COCCOCC(=O)NC[C@@H]1CN(C(=O)[C@H](C)C#N)CCO1 1065556316 GLYYHKMWUJEVAR-VXGBXAGGSA-N 313.354 -0.847 30 20 DBED C[C@H]1CN(C(=O)Cn2cncn2)C[C@H]1Nc1nccnc1C#N 1067098142 CXJRXPAKDBVKFD-CMPLNLGQSA-N 312.337 -0.101 30 20 DBED Cc1cc(=NC2(C)CCN(C(=O)C(N)=O)CC2)c(C#N)c[nH]1 1067291708 MYJPWQYRWDBERO-UHFFFAOYSA-N 301.350 -0.038 30 20 DBED C=C(C)C[C@H](C)C(=O)N[C@H]1COC2(C1)CN(C(=O)CC(N)=O)C2 1068975538 JXNZLUXZTCETDZ-NWDGAFQWSA-N 323.393 -0.050 30 20 DBED C#CCN1CCn2ncc(CNC(=O)[C@@H]3CCC(=O)NC3)c2C1 1069865422 GIKZIRAMYQCBBI-GFCCVEGCSA-N 315.377 -0.526 30 20 DBED N#CCN[C@@H]1CN(C(=O)c2ccc(F)nc2)C[C@@H]1n1ccnn1 1070157038 HIBPCOGESXBHOC-NEPJUHHUSA-N 315.312 -0.009 30 20 DBED C=CCOCC(=O)N1CCC[C@@H](NC(=O)[C@@H](C)CC(N)=O)C1 1070554210 LHTGRXBJPJJLPK-NWDGAFQWSA-N 311.382 -0.192 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)[C@@]45COC[C@@H]4C5)C[C@@]3(C1)O2 1070803649 STCSFJBOHWHQEC-SSOQLKFYSA-N 302.374 -0.042 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)[C@@H]2CC[C@H]2C(N)=O)CC1 1070984111 UKWJMLDMXQWABO-CHWSQXEVSA-N 322.409 -0.666 30 20 DBED C[C@H]1CN(C(=O)C#CC2CC2)C[C@]2(CCN(CC(N)=O)C2)O1 1071166895 PMFCVGRHQZEONX-BLLLJJGKSA-N 305.378 -0.423 30 20 DBED N#CCN1CCN([C@H]2CCCN(C(=O)c3nc[nH]n3)C2)C(=O)C1 1071275823 QEJIMDAPWJTWBS-NSHDSACASA-N 317.353 -0.923 30 20 DBED C=CCOCC(=O)N[C@@H]1CCCN(C(=O)[C@H](COC)OC)C1 1071279789 BJSOEROYTUWWOC-OLZOCXBDSA-N 314.382 -0.042 30 20 DBED C=CCN1C[C@@H](NC(=O)CN2CCN(C)C(=O)C2)CC[C@H]1C 1071621936 DSVANJWAYPQFLP-KGLIPLIRSA-N 308.426 -0.085 30 20 DBED CC(=O)NCC(=O)N[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C 1071918264 MUHNOFRROCOQKN-RNCFNFMXSA-N 317.349 -0.401 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(C(=O)Cc2nc[nH]n2)C[C@@H]1C 1072776367 WXMALHAAEKYKOV-NWDGAFQWSA-N 321.381 -0.097 30 20 DBED C#CCO[C@H](C)C(=O)NC1(C)CCN(C(=O)CC(=O)NC)CC1 1072974271 SNXHJCWMJMCADS-GFCCVEGCSA-N 323.393 -0.342 30 20 DBED C#CCCN1CCCO[C@H](CNC(=O)[C@@H]2CCCN2C(N)=O)C1 1073908803 WTORTNGJFPWJLM-KGLIPLIRSA-N 322.409 -0.240 30 20 DBED C#CCOCCC(=O)N1CC[C@H](NC(=O)c2cnn[nH]2)[C@H](C)C1 1074049496 QCEGCYBAXRJMKQ-NEPJUHHUSA-N 319.365 -0.189 30 20 DBED COc1nn(C)cc1C(=O)N1CC[C@H]2OCCN(CC#N)[C@H]2C1 1074314458 GKCHJRWVUBPNTD-QWHCGFSZSA-N 319.365 -0.132 30 20 DBED C#CCN1CCC(C(=O)N2CCC(O)(CNC(C)=O)CC2)CC1 1074617985 PVEDAVUXXWPFHQ-UHFFFAOYSA-N 321.421 -0.179 30 20 DBED C[C@@H](CCNC(=O)CSCC#N)NC(=O)CCn1ccnn1 1075675950 VBZUVSNGNHMXFO-NSHDSACASA-N 324.410 -0.064 30 20 DBED C[C@@H](CCNC(=O)[C@H]1COC(=O)N1)NC(=O)c1ccc(C#N)[nH]1 1076344555 QLPMRUDQLRDFFE-GZMMTYOYSA-N 319.321 -0.381 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)C(=O)N2CCC(C)CC2)C1 1077788747 MFHKXMXXZJPRRU-ZIAGYGMSSA-N 307.394 -0.571 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CN(CC[C@H](C)F)C[C@H]2O)nn1 1077801174 GCHQXOIYHCUGRG-DMDPSCGWSA-N 311.361 -0.013 30 20 DBED C[C@@H](CCNC(=O)[C@@H](C)C#N)NC(=O)c1cc(C(N)=O)ccn1 1078136127 FKUNZXWLHHUDDY-UWVGGRQHSA-N 317.349 -0.035 30 20 DBED C[C@@H](CCNC(=O)[C@H](C)C#N)NC(=O)CC1CS(=O)(=O)C1 1078139293 MDOPJDNECQTHTJ-ZJUUUORDSA-N 315.395 -0.408 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)Cc2csc3nccn23)C1 1078187006 PIEJELDJXQDDIP-GHMZBOCLSA-N 305.363 -0.377 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2Cc3cccc(F)c3O2)C1 1078206721 DYOCHBPWAGVEJD-UPJWGTAASA-N 305.309 -0.186 30 20 DBED C=CCOCC(=O)N(CC)C1CN(C(=O)C2(C(=O)NC)CC2)C1 1079490447 PIPBWGMVJNMOFB-UHFFFAOYSA-N 323.393 -0.226 30 20 DBED CCN(C(=O)C#CC1CC1)C1CN(C(=O)Cn2nccn2)C1 1079739358 QMAJDWAOTXACHS-UHFFFAOYSA-N 301.350 -0.249 30 20 DBED CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)C[C@@H](C)NC(N)=O)C1 1080414723 RKQXTWPSFKAYEP-VHSXEESVSA-N 309.370 -0.348 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CO)(NC(=O)C2=CCOCC2)CC1 1080826843 YMLNETGZVXNBDR-LBPRGKRZSA-N 321.377 -0.038 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2cccn2C)C1 1081260532 YYIRTGCIQNOYPY-TZMCWYRMSA-N 321.377 -0.223 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)CCc2nc[nH]n2)C[C@H]1O 1081336110 TXITVYIMWPMCNZ-VXGBXAGGSA-N 321.381 -0.361 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)Cc2cnoc2)C[C@@H]1O 1081340643 FZWMCNPYGRKNNY-OLZOCXBDSA-N 323.349 -0.645 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2ccon2)C[C@@H]1O 1081343254 AHSOQMWJUIVOIQ-PWSUYJOCSA-N 309.322 -0.574 30 20 DBED Cc1c[nH]nc1C(=O)N1C[C@H](O)[C@H](CNC(=O)C#CC2CC2)C1 1081471140 JTCPLKAJLCQTBH-OLZOCXBDSA-N 316.361 -0.319 30 20 DBED C=CCCCC(=O)NC[C@H]1CN(C(=O)c2cnn[nH]2)C[C@H]1O 1081703155 MNSRZYPMOUBRDB-CMPLNLGQSA-N 307.354 -0.290 30 20 DBED C=CCN1C[C@@H](NC(=O)c2cc(=O)c(OC)c[nH]2)[C@H](OC)C1 1081946982 CUUSSFGIKKYDFN-BXUZGUMPSA-N 307.350 -0.002 30 20 DBED C#CCNC(=O)CC(=O)N1CCCC[C@H]1CNC(=O)[C@H](C)OC 1082016956 LGQYEMXXTYFBCX-STQMWFEESA-N 323.393 -0.342 30 20 DBED C=C(C)CCN1C[C@@H](NC(=O)[C@H]2CN(C)C(=O)N2)[C@H](OC)C1 1082023908 ZKNBIYVDYVYMEE-JHJVBQTASA-N 310.398 -0.208 30 20 DBED CNC(=O)c1cccc(C(=O)N[C@@H]2CN(CC#N)C[C@H]2OC)c1 1082377238 IXUFQBXLNVBXTR-ZIAGYGMSSA-N 316.361 -0.001 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)CN2CCCCCCC2=O)C1 1083506641 SXPKRSUPYOEQSJ-CABCVRRESA-N 321.421 -0.036 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)Cc2ccc(C(N)=O)nc2)C1 1083569275 KNMVSCUFYMJOOR-KGLIPLIRSA-N 318.377 -0.540 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2Cc3cc(F)ccc3O2)C1 1083826696 GJWLDPKIMLUUKS-IPYPFGDCSA-N 304.321 -0.076 30 20 DBED N#CCN1C[C@H](NC(=O)[C@H]2CNC(=O)N2)CC2(CCOCC2)C1 1089952649 KYSLVZAIKJGUPW-VXGBXAGGSA-N 321.381 -0.821 30 20 DBED C=C(C)CCN1CC[C@@H](NC(=O)C2CC(=O)NC(=O)C2)[C@@H](O)C1 1090641498 QUZDCXBFGZPOQB-OLZOCXBDSA-N 323.393 -0.443 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2noc3c2COCC3)[C@@H](O)C1 1090822091 AJAUJKPYVQBPGH-OLZOCXBDSA-N 319.361 -0.064 30 20 DBED CO[C@H](C)C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1OC 1090865234 SRUYTYNKLMTRSJ-GMTAPVOTSA-N 305.338 -0.297 30 20 DBED N#CCSCC(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@@H]1O 1091075186 WQRWEVWPVIJVGM-MNOVXSKESA-N 318.362 -0.729 30 20 DBED CCN(C)CCC(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@@H]1O 1091137744 UFWMHKKLLGUXQB-HIFRSBDPSA-N 317.393 -0.039 30 20 DBED CC(C)n1cc(C(=O)NCCN=c2cc[nH]c(C#N)n2)nn1 1093811380 KOCZVWOVXBQEBM-UHFFFAOYSA-N 300.326 -0.216 30 20 DBED C#CCCN1CC(n2cc(CNC(=O)c3ncn(C)n3)nn2)C1 1094288172 GTLROOGPDHQZQO-UHFFFAOYSA-N 314.353 -0.783 30 20 DBED N#Cc1cnc(NCCCNC(=O)[C@@H]2CCCNC2=O)cn1 1094628179 KRRDLPIGPTUFRN-LLVKDONJSA-N 302.338 -0.207 30 20 DBED Cc1cncc(C(=O)N[C@H]2CC(=O)N(C3CN(CC#N)C3)C2)c1 1094723094 FDBNNAVFJSTXMH-ZDUSSCGKSA-N 313.361 -0.072 30 20 DBED CNC(=O)NCC(=O)N1CCCN(c2ccc(C#N)nn2)CC1 1095208809 TWQFYSRCGMPIEC-UHFFFAOYSA-N 317.353 -0.684 30 20 DBED CC(=O)N(C)CC(=O)N[C@@H]1CCN(c2cnc(C#N)cn2)C1 1096329598 UAZQSMBLZYBKDH-LLVKDONJSA-N 302.338 -0.479 30 20 DBED C[C@@H](CC(=O)N[C@@H]1CCN(c2nccnc2C#N)C1)NC(N)=O 1096440011 QETFESALNWRZFN-VHSXEESVSA-N 317.353 -0.510 30 20 DBED N#Cc1nccnc1N1CCC2(CC1)C[C@H]2NC(=O)CC(N)=O 1096506993 IACBBVFPODSLSH-LLVKDONJSA-N 314.349 -0.301 30 20 DBED N#Cc1cncc(N[C@H](CNC(=O)C2(C(N)=O)CC2)C2CC2)n1 1096795196 KUYKCKBMKDMSJB-LLVKDONJSA-N 314.349 -0.080 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@H]1C[C@H](Nc2ccc3nnnn3n2)C1 1097013625 GQJQOPJXTHGJBI-GPCCPHFNSA-N 317.353 -0.095 30 20 DBED CC(=O)N(C)CC(=O)N[C@H]1C[C@@H](N=c2cc[nH]cc2C#N)C1 1097151823 MJNACXVJESCLIN-BETUJISGSA-N 301.350 -0.087 30 20 DBED C#CCCN(CCO)C1CCN(C(=O)Cn2nccn2)CC1 1098379242 UJDWXOFUDFVYJW-UHFFFAOYSA-N 305.382 -0.413 30 20 DBED C#CCN(CCO)C1CCN(C(=O)[C@@H](OC)[C@@H]2CCOC2)CC1 1098442738 LOLZSKZCNATUTB-ZBFHGGJFSA-N 324.421 -0.044 30 20 DBED C[C@H](CCNC(=O)[C@@H]1CCNC(=O)C1)N=c1cc[nH]c(C#N)n1 1098958474 JWRGFGDBGLYEIT-GHMZBOCLSA-N 316.365 -0.397 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2cncnc2C)[C@H](O)C1 1099701832 KEDYZTCHIJWKCX-LSDHHAIUSA-N 318.377 -0.400 30 20 DBED CCn1nccc1C(=O)NCC1CC(NCC(=O)NCC#N)C1 1100271023 ZCBCXUPKPTWTLM-UHFFFAOYSA-N 318.381 -0.359 30 20 DBED C#CCNC(=O)[C@H](C)NC1CC(CNC(=O)CCN(C)CC)C1 1100827376 BIHQCHDFLJGTBO-NFOMZHRRSA-N 322.453 -0.050 30 20 DBED CS(=O)(=O)CC(=O)NC[C@H]1CCN(c2ncccc2C#N)C1 1100961295 GXDFZAKVKKSGJE-LLVKDONJSA-N 322.390 -0.060 30 20 DBED CN(CCNc1cnc(C#N)cn1)C(=O)[C@@H]1COCCN1C 1101564104 FHCXPVVFKNEYBF-LBPRGKRZSA-N 304.354 -0.451 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)CNC(=O)OC)c3nccn32)C1 1101609258 XYCDEWTULWJXJQ-NSHDSACASA-N 317.349 -0.556 30 20 DBED CN(CCNc1cncc(C#N)n1)C(=O)C[C@H]1CCNC1=O 1101823110 OHCUOWBMZHHJCF-SNVBAGLBSA-N 302.338 -0.255 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@H]1CN(Cc2nnnn2C)C[C@H]1C 1101916581 GRCQAPGJKXUEMW-LALPHHSUSA-N 322.413 -0.279 30 20 DBED C=CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)c2cnnn2C)C1 1101925899 GOPQBSQCEKEWMI-VXGBXAGGSA-N 320.397 -0.585 30 20 DBED C#CCN1C[C@@H](C)[C@H](CNC(=O)[C@@H](C)NS(=O)(=O)CC)C1 1101987055 WIDWFJSWHUFENM-JHJVBQTASA-N 315.439 -0.369 30 20 DBED CC(C)C(=O)N(C)CC(=O)N(C)CCN=c1cc[nH]c(C#N)n1 1102012159 NPLFYIMDSOUGCP-UHFFFAOYSA-N 318.381 -0.245 30 20 DBED CC[C@@H](CNC(=O)[C@H]1COC(=O)N1)Nc1cncc(C#N)n1 1103053304 RDKJLCKJTOVLSE-WCBMZHEXSA-N 304.310 -0.237 30 20 DBED CC[C@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)N=c1cc[nH]cc1C#N 1103305512 FRVXHZJKSNVQTB-UTUOFQBUSA-N 301.350 -0.197 30 20 DBED C[C@@H](CNC(=O)CCn1cnnn1)CNc1cncc(C#N)n1 1104047555 LEXYQDMPDCQJLN-SNVBAGLBSA-N 315.341 -0.411 30 20 DBED CNC(=O)NCCC(=O)N(C)[C@@H](C)CN=c1cc[nH]c(C#N)n1 1104547361 UGKNTFCXXCJYEV-JTQLQIEISA-N 319.369 -0.652 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)CO[C@H]1CCOC1 1104683028 FHZGAVYLKDJTIH-RYUDHWBXSA-N 319.365 -0.166 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)[C@]1(C)CNC(=O)C1 1104746900 CUMXJEIGJINABM-BONVTDFDSA-N 316.365 -0.445 30 20 DBED COC[C@H](OC)C(=O)N(C)[C@@H](C)CN=c1cc[nH]c(C#N)n1 1104802073 FLZRNSXAHMVCSQ-QWRGUYRKSA-N 307.354 -0.310 30 20 DBED CN(C)CCOCC(=O)N(C)CCN(C)c1nccnc1C#N 1105430262 HJTUQQVXVGFOJK-UHFFFAOYSA-N 320.397 -0.179 30 20 DBED N#Cc1nccnc1NC[C@@H](O)CNC(=O)[C@H]1CCCOC1 1105741410 FWURLJYMCUBJNQ-WDEREUQCSA-N 305.338 -0.336 30 20 DBED Cc1nc(NC[C@H](O)CNC(=O)[C@@H]2COCCO2)ccc1C#N 1105780777 VINZGILZHAUNDU-STQMWFEESA-N 320.349 -0.434 30 20 DBED Cc1cc(NC[C@H](O)CNC(=O)C#CC(C)C)n2ncnc2n1 1105811649 FXEVMQJMLMGUAI-LBPRGKRZSA-N 316.365 -0.019 30 20 DBED CC[C@@H](SC)C(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1 1105822304 NDOWWUXUGFSCRR-VHSXEESVSA-N 309.395 -0.199 30 20 DBED CCc1nc[nH]c1C(=O)NC[C@@H](O)CNc1ccc(C#N)nn1 1105922017 LDMVRFONTBKWJU-JTQLQIEISA-N 315.337 -0.163 30 20 DBED C[C@H](CCNc1cnc(C#N)cn1)NC(=O)[C@H]1COCCN1C 1106277688 JYSATZRTQWAVTB-DGCLKSJQSA-N 318.381 -0.014 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)c1[nH]nnc1C 1106919492 JSXCHFQPHBJYOC-UHFFFAOYSA-N 300.326 -0.229 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)CN2C(=O)CN(C)C2=O)C[C@H]1C 1106960577 UBRYBSNEAFHJQT-CHWSQXEVSA-N 320.393 -0.412 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)Cn2ccnc2)C[C@H]1C 1107077579 LFLZVTGSZDBJKG-ZIAGYGMSSA-N 317.393 -0.683 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)CCCC(N)=O)C[C@H]1C 1107082670 NYJHZGFPJLUKMP-ZIAGYGMSSA-N 309.410 -0.024 30 20 DBED C#CCNC(=O)CN1CCO[C@@](C)(CNC(=O)CCCF)C1 1108124285 HUBWAWJHWRBNAY-HNNXBMFYSA-N 313.373 -0.307 30 20 DBED C=CCN1CCO[C@](C)(CNC(=O)c2cn(C)c(=O)nc2O)C1 1108394802 KATXRLYATAFYBD-OAHLLOKOSA-N 322.365 -0.507 30 20 DBED C[C@@H](CC(=O)N[C@@H](C)CNc1nccnc1C#N)NC(N)=O 1108528799 SBUPTGVWPCBHOL-IUCAKERBSA-N 305.342 -0.288 30 20 DBED COCC1(CC(=O)N[C@H]2CC(=O)N(C3CN(CC#N)C3)C2)CC1 1108544598 GJUJRYUHQUTNHT-LBPRGKRZSA-N 320.393 -0.272 30 20 DBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H]1CCCO1 1110254793 DZRNMBZGWONXHT-NDBYEHHHSA-N 306.366 -0.473 30 20 DBED N#Cc1cnc(NC2(CNC(=O)[C@H]3CCNC3=O)CC2)cn1 1110301410 HWMHFKFJWUMYAI-JTQLQIEISA-N 300.322 -0.455 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@H]1CCOC1 1110465447 DCINDVYILZYBDO-TUVASFSCSA-N 319.405 -0.116 30 20 DBED CN(C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1110976700 STJUQTOAORIWTA-UPJWGTAASA-N 307.398 -0.701 30 20 DBED CN(C)CCC(=O)N(C)[C@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1111197770 QKVFHQZRONFEAW-STQMWFEESA-N 318.381 -0.692 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN(C)C(C)C 1111465297 NXADKSSKONWFHQ-KFWWJZLASA-N 320.437 -0.203 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)[C@H]2C[C@@H]2C(F)F)CC1 1112816308 HXFDLMVCMQSLAB-UWVGGRQHSA-N 300.309 -0.328 30 20 DBED C=CCC[C@H](C)N1CCN(C(=O)CNS(=O)(=O)NC)CC1 1113156567 LWPDCBIGYHFYPI-LBPRGKRZSA-N 318.443 -0.461 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCC(=O)N1)N(C)c1ccnc(C#N)n1 1113543070 NWRHMEVWPVTIKI-VHSXEESVSA-N 302.338 -0.432 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCC(=O)N1C)N(C)c1ccnc(C#N)n1 1113830442 RTXJADXYOSYHHF-WDEREUQCSA-N 316.365 -0.090 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)c3ccnn3CC)[C@@H]2C1 1114174492 UVUJZVZXWSIYKE-VXGBXAGGSA-N 317.393 -0.135 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@H]1[C@@H]2CN(Cc3cn(C)nn3)C[C@@H]21 1114194636 SPIMFVCTPRRROS-MXYBEHONSA-N 305.382 -0.311 30 20 DBED O=C(C#CC1CC1)NC1[C@H]2CN(CCN3CCNC3=O)C[C@H]12 1114256084 TUXUZZHIHHYEDI-STQMWFEESA-N 302.378 -0.529 30 20 DBED C#CCOCCC(=O)NC1[C@H]2CN(Cc3cnnn3CC)C[C@H]12 1114265459 FFVGRAAEDHVNAI-KBPBESRZSA-N 317.393 -0.116 30 20 DBED N#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3ccc(O)nc3)[C@H]2C1 1115192984 XMKBLRVMWOVQCG-QWRGUYRKSA-N 315.333 -0.913 30 20 DBED C=CCO[C@H](C)C(=O)NC1[C@@H]2CN(CC(=O)NC3CC3)C[C@@H]12 1115332635 PNPHCEALNTZSMF-RAIGVLPGSA-N 307.394 -0.098 30 20 DBED C[C@@H](Cn1cccn1)NC(=O)C(=O)Nc1cnn(CC#N)c1 1116336615 UGPMHJCZQAIWFG-JTQLQIEISA-N 301.310 -0.253 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N(C)[C@H](CO)COC(C)C 1117581878 OIBZGJXAIFQCRV-NWDGAFQWSA-N 302.371 -0.452 30 20 DBED Cc1nn(C)c(C)c1NC(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1118139966 DOAVLNKIZFLMQO-AWEZNQCLSA-N 305.338 -0.147 30 20 DBED Cc1cc(C#N)nc(N[C@@H](CO)CNC(=O)Cn2cccn2)n1 1121055423 MOQOHOFYIDODCI-GFCCVEGCSA-N 315.337 -0.558 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)[C@@H]2COCCO2)nc1 1121142214 BFVBTRFMQMXIRR-NEPJUHHUSA-N 306.322 -0.742 30 20 DBED C[C@H](C(=O)NC[C@@H](CO)Nc1ccc(C#N)nc1)n1cncn1 1121346663 RYLGVUYYJXEECA-MFKMUULPSA-N 315.337 -0.305 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)C[C@H]2CCOC2)nn1 1121400133 TYLRYBLYZMQBCW-PWSUYJOCSA-N 305.338 -0.336 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H](CO)CNC(=O)C12CCN(CC1)C2 1121806169 IGTANWUTPPUBPO-CYBMUJFWSA-N 315.377 -0.640 30 20 DBED N#Cc1c[nH]ccc1=N[C@H](CO)CNC(=O)C12CCN(CC1)C2 1121806172 IGTANWUTPPUBPO-ZDUSSCGKSA-N 315.377 -0.640 30 20 DBED C=CCNC1CC2(C1)CC(NC(=O)C[C@H](NC(C)=O)C(N)=O)C2 1121872983 IPAKDKCMNFSWSS-KSISSFPLSA-N 322.409 -0.431 30 20 DBED Cc1cc(=N[C@@H](CO)CNC(=O)c2ccncn2)c(C#N)c[nH]1 1121949434 PFSNGGGPWDXRKI-GFCCVEGCSA-N 312.333 -0.324 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)[C@@]2(F)CCOC2)nc1 1122412190 WOGNUQAAGCVLLT-BXUZGUMPSA-N 308.313 -0.029 30 20 DBED CN1CC[C@@H](C(=O)NC[C@H](CO)Nc2ccc(C#N)nc2)C1=O 1122431157 SVMNORMDWPVFCZ-OLZOCXBDSA-N 317.349 -0.679 30 20 DBED C[C@@H](C#N)C(=O)N(C)C[C@H](O)CN(C)c1ccc(C#N)nn1 1124988333 IWOXMXXQCCWUQQ-CMPLNLGQSA-N 302.338 -0.237 30 20 DBED COC[C@@H](C)C(=O)N(C)C[C@H](O)CN(C)c1cncc(C#N)n1 1124988812 NKLXVVLURLEMKF-DGCLKSJQSA-N 321.381 -0.114 30 20 DBED N#Cc1ccc(C(=O)NCCNCC(=O)NCC(F)(F)F)[nH]1 1125776221 JKXZIEXCEIFDIN-UHFFFAOYSA-N 317.271 -0.116 30 20 DBED CC(=O)N1CCN(C(=O)CNCCNC(=O)C#CC(C)C)CC1 1126823220 SDDKASDZQGMEGS-UHFFFAOYSA-N 322.409 -0.958 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)Cc1n[nH]c(C)n1 1126912297 IITDPXRLNSCADM-UHFFFAOYSA-N 321.385 -0.876 30 20 DBED C#CCN1CCn2ncc(CNC(=O)CCc3nc[nH]n3)c2C1 1128312578 QEUOLWNIHHYNBO-UHFFFAOYSA-N 313.365 -0.301 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)CNC(=O)CCC)C1 1128784768 GRMKNRYPUSEATJ-OLZOCXBDSA-N 320.397 -0.278 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCN[C@@H](C)c1nncn1C 1129771075 QEJNBIPGYMJJFE-STQMWFEESA-N 304.398 -0.321 30 20 DBED C#CCN1C[C@H](NC(=O)COCc2ncnn2C)CC[C@H]1C 1132392892 RWLYMZQKAJFNOU-CHWSQXEVSA-N 305.382 -0.066 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)CN1CCCC1=O 1133636034 BGWPFPJQYRJBMZ-OLZOCXBDSA-N 322.409 -0.769 30 20 DBED N#CCNC(=O)CN1CCC2(C1)CN(C(=O)c1cncnc1)C2 1147374293 LCDGPGGGOCWABH-UHFFFAOYSA-N 314.349 -0.736 30 20 DBED C=CCN1CCCO[C@@H](CNC(=O)CN(C)S(C)(=O)=O)C1 1149804002 HYFKWPOSFZDMLT-LBPRGKRZSA-N 319.427 -0.729 30 20 DBED CC#CCN(CC)[C@H](C)CNC(=O)CCS(=O)(=O)NC 1153312993 OISPDYSAHCOYFG-GFCCVEGCSA-N 303.428 -0.224 30 20 DBED N#CCN1CC=C(CCNC(=O)C2CC(=O)NC(=O)C2)CC1 1161472527 WZGGTAKAXRYNOW-UHFFFAOYSA-N 304.350 -0.299 30 20 DBED C#CCNC(=O)CNCC1(CCNC(=O)[C@@H]2[C@H]3COC[C@H]32)CC1 1166716709 TXKJJZCFZOFHRG-NHAGDIPZSA-N 319.405 -0.496 30 20 DBED Cc1n[nH]c(C)c1[C@H](C)C(=O)NCCCNCC(=O)NCC#N 1168588794 ZHGWUJQCQQONPX-JTQLQIEISA-N 320.397 -0.134 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H]2OCCN(CC#C)[C@H]2C1 1176982699 HLELAZHYNFCCCH-UONOGXRCSA-N 303.362 -0.939 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2coc(OC)n2)[C@H]1C 1179244725 DJMRVDAQLBMAAJ-QWRGUYRKSA-N 320.349 -0.375 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)CCCN(C)C)[C@H]1C 1179435306 PRFIBZCRTZSQJE-KBPBESRZSA-N 308.426 -0.343 30 20 DBED C=CCCO[C@H](C)C(=O)N1CC[C@@H](NCC(=O)NCC#N)C1 1181475801 JGDOSYZJUSYSGD-CHWSQXEVSA-N 308.382 -0.202 30 20 DBED C#CCNC(=O)CNC[C@@H]1CCN(C(=O)CCOC)C[C@H]1C 1183679120 QIXYXLUUKMRELY-KGLIPLIRSA-N 309.410 -0.154 30 20 DBED C#CCNC(=O)CNC[C@@H]1CCN(C(=O)COCC)C[C@@H]1C 1183808263 IEBUFHSHMPTHMX-KBPBESRZSA-N 309.410 -0.154 30 20 DBED COCC(=O)NCCC(=O)N1CC[C@@H](CNCC#N)[C@@H](C)C1 1184525287 VTFZCYCJCBZWMY-STQMWFEESA-N 310.398 -0.263 30 20 DBED CC1(C)CCN(CC(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)C1 1185676446 XRIMCJPHYYPFDV-CYBMUJFWSA-N 321.425 -0.451 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)[C@@H]2CCCCN2C(N)=O)C1 1186975357 MFKFRWQRZPRGGB-KGLIPLIRSA-N 322.409 -0.240 30 20 DBED C=CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3cnnn3C)[C@@H]2C1 1187737195 UXBORVXVVLCJDT-WCQYABFASA-N 318.381 -0.736 30 20 DBED CCCC(=O)NCC(=O)N1CC[C@H](N(C)CC(=O)NCC#N)C1 1189169585 ISSPJGGAUNGJMP-LBPRGKRZSA-N 323.397 -0.925 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CN(Cc2ccc(C#N)s2)C[C@H]1O 1190709436 MKEDUYQKVSOPPN-CHWSQXEVSA-N 322.390 -0.583 30 20 DBED COCC#CCN(C)[C@@H]1CCN(C(=O)[C@H]2CCCNC2=O)C1 1190790272 XXVCDRKQJKPRIP-KGLIPLIRSA-N 307.394 -0.305 30 20 DBED C=C(C)CN(CC)C(=O)[C@@H](C)N(C)[C@H]1CCN(C(=O)C(N)=O)C1 1192094329 RQRILFGEIXSXKY-OLZOCXBDSA-N 324.425 -0.183 30 20 DBED C#CCCCCC(=O)N[C@@H]1CN(CCN2CCCC2=O)C[C@H]1O 1192328753 NBHWULNZYHXKQB-HUUCEWRRSA-N 321.421 -0.036 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)c2[nH]ccc2C)C1 1192572358 ZGTZKNSKUPLXBL-JHJVBQTASA-N 320.393 -0.211 30 20 DBED C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)Cn2ncnn2)C1 1193015786 MXSWJEPIVHXQCM-CHWSQXEVSA-N 308.386 -0.419 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)CCc2nccn2C)C1 1194908791 HVJQLFOSTNDSKY-ZIAGYGMSSA-N 322.409 -0.283 30 20 DBED CC(C)(C)OCC(=O)N1CCCN(CC(=O)NCC#N)CC1 1195562065 BFOKCWQBRYJDEP-UHFFFAOYSA-N 310.398 -0.024 30 20 DBED COCC#CCN1CCCN(C(=O)C2CN(C(C)=O)C2)CC1 1195619935 GWTNUSFSMWNGSN-UHFFFAOYSA-N 307.394 -0.351 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)Cc2cnn(CC)c2)C1 1197680946 DTLPKOSWTFSTPL-HUUCEWRRSA-N 322.409 -0.191 30 20 DBED N#CCNC(=O)CN1CCCN(C(=O)C23CCN(CC2)C3)CC1 1197824806 UPUXBYDQAXIHOO-UHFFFAOYSA-N 319.409 -0.744 30 20 DBED Cc1n[nH]c(C)c1C[C@@H](C)C(=O)N[C@@H]1CN(CC#N)C[C@H]1O 1198809830 LFSKAPVNFCLSBE-OWYVNGRQSA-N 305.382 -0.110 30 20 DBED O=C(C#CC1CC1)N1CCCO[C@H](CNCCn2cncn2)C1 1200452611 KBKPUZYODZMCKT-OAHLLOKOSA-N 317.393 -0.101 30 20 DBED C#CCOCCC(=O)N1CCC(NCc2ncnn2C)CC1 1200513784 KKOIQTKKXYLNPH-UHFFFAOYSA-N 305.382 -0.064 30 20 DBED C#CCNC[C@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)CCCO1 1201041576 DHUYBCFVWNFSQR-YHUYYLMFSA-N 322.405 -0.122 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)[C@@]2(C)CNC(=O)C2)CC1 1201751185 JALZXABCLJTKBL-MRXNPFEDSA-N 322.409 -0.605 30 20 DBED N#CCNC[C@@H]1CN(C(=O)[C@H]2CCc3nn[nH]c3C2)CCCO1 1201849011 RRPNYFJEHFZIQL-NWDGAFQWSA-N 318.381 -0.360 30 20 DBED C=CCCCN1C[C@@H](NC(=O)CNS(=O)(=O)NC)[C@H](C)C1 1208138814 NTHPNTYLJSZOTR-VXGBXAGGSA-N 318.443 -0.557 30 20 DBED C[C@@H]1OCCO[C@@H]1C(=O)N1CCC[C@H](NCC(=O)NCC#N)C1 1208356581 VINXUBACQZPGLV-OBJOEFQTSA-N 324.381 -0.989 30 20 DBED Cc1nc(C)c(C(=O)N2CCC[C@@H](NCC(=O)NCC#N)C2)[nH]1 1209677482 FVCOGKMOVZYDTF-GFCCVEGCSA-N 318.381 -0.139 30 20 DBED CO[C@@H]1CN(CC(=O)N(C)CC2CC2)C[C@H]1NC(=O)[C@H](C)C#N 1212039822 UVALLWJMXQCRHQ-MRVWCRGKSA-N 322.409 -0.170 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)CN(C)CCC)C[C@H]1C 1216502516 FNLLUZXBAAIBQH-ZIAGYGMSSA-N 308.426 -0.486 30 20 DBED CNC(=O)[C@H](C)N1C[C@H]2[C@@H](C1)OCCN2C(=O)C#CC(C)C 1217852242 GZYLMFIQUZFULT-MELADBBJSA-N 307.394 -0.308 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)Cn2nccc2C)C1 1220437130 VPYGOCQSDIAVHK-KGLIPLIRSA-N 306.366 -0.997 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3conc3C)[C@@H]2C1 1221783284 HEYGPWLRMLEEFP-TZMCWYRMSA-N 316.361 -0.121 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)c2cncnc2)CC1 1222907426 NAXBOQJWVQAUPQ-UHFFFAOYSA-N 315.377 -0.332 30 20 DBED COCC#CCN1CCC(CNC(=O)c2nnn(C)n2)CC1 1224095593 XUXYDFJUVRYTIF-UHFFFAOYSA-N 306.370 -0.698 30 20 DBED CN(C[C@H]1CCN1CC(=O)NCC#N)C(=O)C[C@@H]1CCCO1 1230865650 GMRRMSYAQRAKOR-OLZOCXBDSA-N 308.382 -0.272 30 20 DBED C=CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)c1nnn(C)c1C 1231349669 LMZOPASSFQUDNS-GFCCVEGCSA-N 320.397 -0.428 30 20 DBED CN(C[C@H]1CCN1CC(=O)NCC#N)C(=O)Cc1cc[nH]n1 1231379713 ZRMABMQGSXCQDZ-GFCCVEGCSA-N 304.354 -0.875 30 20 DBED C#CCNC(=O)CC(=O)N(C)C[C@H]1CCN1Cc1ncccn1 1233810288 PABYLUBWOSXAKC-CYBMUJFWSA-N 315.377 -0.351 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C[C@H]1CCN1CC(=O)N1CCC1 1234215153 JEJBFEIWPDODAH-UONOGXRCSA-N 307.394 -0.210 30 20 DBED C#CCNC(=O)c1ccc(N2CCC(OCC(N)=O)CC2)nc1 1319202430 JSNAJHCAQORICF-UHFFFAOYSA-N 316.361 -0.085 30 20 DBED C=CCNC(=O)[C@@H](C)[S@@](=O)C[C@H](NC(C)=O)C(=O)OC 1321861373 QQCMTAZERSHOLP-CBUNIWKESA-N 304.368 -0.897 30 20 DBED C=CCN(CCOC)C(=O)C(=O)NC[C@@H]1CC(=O)N(C2CC2)C1 1322927149 PTTGAJVUXDKMJP-LBPRGKRZSA-N 323.393 -0.226 30 20 DBED CCC(=O)c1cccc(NC(=O)C(=O)NCC(=O)NCC#N)c1 1323053469 CXSYJSHEBMPRJP-UHFFFAOYSA-N 316.317 -0.026 30 20 DBED CC[C@@H]1CO[C@H](C)CN1C(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1327020231 CVEYOSISEIEVMY-JMSVASOKSA-N 309.366 -0.111 30 20 DBED C=CCN(C(=O)C(=O)NCC(=O)NOCC)[C@@H](C)COC 1328528539 DVJYMOJCLWHIGF-JTQLQIEISA-N 301.343 -0.780 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)NC[C@@H](C)SC 1329797909 HSVZXAKZHJJPKJ-SECBINFHSA-N 308.425 -0.429 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N1CC(c2nc(C)no2)C1 1330877964 VNSVEFRQCNVUFP-GFCCVEGCSA-N 320.349 -0.152 30 20 DBED C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1332247667 FOSQTUZRLYIFJW-KFNAQCHYSA-N 320.393 -0.538 30 20 DBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H]1CCN(C(C)=O)C1 1334685609 YQLLDSVSTLHDAJ-MJBXVCDLSA-N 323.393 -0.179 30 20 DBED C#CCNC(=O)C1CCN(C(=O)c2cn(C)c(=O)n2C)CC1 1334933586 JHFRXZMUZDRIRE-UHFFFAOYSA-N 304.350 -0.675 30 20 DBED C#CCOCCn1nnnc1N1CCO[C@@H](c2ccnn2C)C1 1336018583 OWNFCPSWOOGZBU-CYBMUJFWSA-N 317.353 -0.366 30 20 DBED C#CCOCCNC(=O)C(=O)NCc1cccc(C(N)=O)c1 1345024204 ZGJNUNKUIVBGPL-UHFFFAOYSA-N 303.318 -0.832 30 20 DBED N#CCC1(O)CN(C(=O)CCc2nc(-c3ncccn3)no2)C1 1362507791 WULYUMLKIGLGQI-UHFFFAOYSA-N 314.305 -0.054 30 20 DBED C[C@H]1C[C@H](NC(=O)Cn2cc(C#N)c(O)nc2=O)c2nccn21 1362825433 DXJLRDKKGDJPQK-WPRPVWTQSA-N 314.305 -0.161 30 20 DBED N#Cc1cn(CCNC(=O)c2cnc(C3CC3)[nH]2)c(=O)nc1O 1363002882 PJZWMPVVUBLIDU-UHFFFAOYSA-N 314.305 -0.149 30 20 DBED CO[C@@H]1COCC[C@@H]1CNS(=O)(=O)N(C)C[C@H](C)C#N 1364876354 XWCYHZRQQSOZEF-IJLUTSLNSA-N 305.400 -0.036 30 20 DBED C=C(Cl)CN1CCN(CCNC(=O)[C@H]2CCC(=O)N2)CC1 1365957209 XJUGIADSYADFIR-GFCCVEGCSA-N 314.817 -0.249 30 20 DBED CO[C@@H](C(=O)NCCN1CCN(C(=O)[C@@H](C)C#N)CC1)C1CC1 1372214813 WLLYREQGBHNRPD-GXTWGEPZSA-N 322.409 -0.169 30 20 DBED CC(=O)N(C)CC(=O)NC[C@@H](C)CNC(=O)c1ccc(C#N)[nH]1 1388399577 PKLNZVJYPCTGSY-SNVBAGLBSA-N 319.365 -0.153 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C(=O)CN1CCCC1=O)C1CC1 1388678715 NOPSLSJEKKQKEF-NSHDSACASA-N 306.366 -0.124 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN([C@@H](C)c2nnnn2C2CC2)C1 1402318975 KNWDZXTWRPLLMN-UWVGGRQHSA-N 319.369 -0.608 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](C)NC(=O)c1ccc2nnc(O)n2c1 1410244397 JATQIBLJUARRPZ-DTWKUNHWSA-N 316.321 -0.171 30 20 DBED CC(C)(C)OC(=O)[C@](C)(O)CNC(=O)Cn1cnc(C#N)n1 1417707756 KEYFZQREZUMOAP-CYBMUJFWSA-N 309.326 -0.641 30 20 DBED N#Cc1cc(CNC(=O)CN2CCCCS2(=O)=O)ccn1 1417753084 AZZJCQBPLPTKDM-UHFFFAOYSA-N 308.363 -0.005 30 20 DBED C[C@H](CNC(=O)[C@H]1CCCC(=O)N1)NC(=O)c1c[nH]c(C#N)c1 1430613658 KAKKKWVMSUCCGO-BXKDBHETSA-N 317.349 -0.210 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)C[C@H]2CCCC(=O)N2)CC1 1432249890 IACBDUDJWXXRHT-WDEREUQCSA-N 306.366 -0.030 30 20 DBED CC(=O)NCC(=O)N(C)C[C@H]1CCN1C(=O)c1cc(C#N)c[nH]1 1445740412 WLQUIQAYCVDAPV-GFCCVEGCSA-N 317.349 -0.305 30 20 DBED C[C@H](CNC(=O)c1cnc2c(c1)nnn2C)NC(=O)[C@H](C)C#N 1448089597 XGXKGVKGSQGEAU-RKDXNWHRSA-N 315.337 -0.243 30 20 DBED CC(=O)N1CC(C(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H](C)C#N)C2)C1 1452978206 LPBUDWJWAASOML-XHVZSJERSA-N 306.366 -0.365 30 20 DBED COC(=O)NCC(=O)NC[C@@H]1CCCN(C(=O)[C@@H](C)C#N)C1 1454430139 FXDRIAOBOMKWLD-QWRGUYRKSA-N 310.354 -0.143 30 20 DBED COCC#CCN[C@H]1CCN(C(=O)c2cnn(C)c2OC)C1 1480623755 PBYDWPOHRFUTDJ-LBPRGKRZSA-N 306.366 -0.117 30 20 DBED COCCN(CCNC(=O)[C@@H](C)C#N)C(=O)[C@@H]1CC(=O)N(C)C1 1511865846 DWSXKNXGUHPLCJ-NWDGAFQWSA-N 324.381 -0.784 30 20 DBED CC#CC[C@@H](CO)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cn1 1573358937 MNTCFLMQTGOXCH-JTQLQIEISA-N 322.350 -0.686 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)O)CC1 1573368239 KLXHUPBIJWIMQF-NEPJUHHUSA-N 309.366 -0.410 30 20 DBED C#CC[C@]1(C(=O)N2CC3(CC(=O)Nc4nccn43)C2)CCCN1 1574504845 OGAGSWICOJOQCP-MRXNPFEDSA-N 313.361 -0.092 30 20 DBED C=CC1(CC(=O)NCCCN2CCCS2(=O)=O)CNC1 1574880516 VUGQNEVRDCAEHZ-UHFFFAOYSA-N 301.412 -0.306 30 20 DBED COC[C@H]1CN(c2cnc(-c3nn[nH]n3)c(C#N)n2)C[C@H](C)O1 1579747112 OLEIMGJWULTFGE-DTWKUNHWSA-N 316.325 -0.232 30 20 DBED C#Cc1cncc(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)O)c1 1588439052 HBZOPGMIRUYFRB-LLVKDONJSA-N 308.315 -0.613 30 20 DBED C=CCNC(=O)CNC(=O)c1ncc(-c2nn[nH]n2)cc1C 1588659038 GZNRPCWMUKRFBA-UHFFFAOYSA-N 301.310 -0.398 30 20 DBED CNC(=O)CNC(=S)NN=Cc1ccccc1-c1nn[nH]n1 1591209147 YAMHBANAKPLDHA-UHFFFAOYSA-N 318.366 -0.589 30 20 DBED CS(=O)(=O)c1ccc(Cn2cnc(C#N)c2-c2nn[nH]n2)o1 1591681221 UOCLVEQBDHDRTJ-UHFFFAOYSA-N 319.306 -0.020 30 20 DBED Cc1oc(-c2nn[nH]n2)cc1C(=O)NCCn1cnc(C#N)n1 1592500857 JMBRISBUENVXNI-UHFFFAOYSA-N 313.281 -0.339 30 20 DBED N#CCNCC1CC(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1592678673 IVMGNITZLZDVBT-UHFFFAOYSA-N 300.326 -0.184 30 20 DBED Cc1onc(CC(=O)NC2(C#N)CCOCC2)c1-c1nn[nH]n1 1606179720 CBEWYNKSBZLGIF-UHFFFAOYSA-N 317.309 -0.105 30 20 DBED C#CCNC(=O)CCNCCNc1ncccc1-c1nn[nH]n1 1609021415 XGVZPXHNXIYNGO-UHFFFAOYSA-N 314.353 -0.597 30 20 DBED C=CCN1CCN(CCNC(=O)[C@@H]2CCCN2C(N)=O)CC1 1752381812 MKCJPZGCSDKDSD-ZDUSSCGKSA-N 309.414 -0.551 30 20 DBED C#CCNC(=O)CNC[C@H]1CCCN(C(=O)c2cnc(C)[nH]2)C1 1752793062 HUHGOXSFKDXQNZ-CYBMUJFWSA-N 317.393 -0.091 30 20 DBED C#CCNC(=O)CNC[C@H]1CCCN(C(=O)[C@H](OC)C2CC2)C1 1752796544 OVQHDFHOKXSVKM-CZUORRHYSA-N 321.421 -0.011 30 20 DBED COCC#CCN(C)CCNC(=O)COCc1nncn1C 1753069130 AWJLNMUUFXBXNQ-UHFFFAOYSA-N 309.370 -0.971 30 20 DBED Cc1ccnc(C(=O)NC[C@H]2CCCN2CC(=O)NCC#N)n1 1753104462 FQTPQSWSMCOVLN-GFCCVEGCSA-N 316.365 -0.381 30 20 DBED C#CCNC(=O)CN(C)C[C@H]1CCN(C(=O)CN2CCCC2)C1 1753358895 BWVCCYVVKHHYDN-OAHLLOKOSA-N 320.437 -0.388 30 20 DBED C#CCN(C)CC1CCN(C(=O)c2nccnc2C(N)=O)CC1 1753367752 XXMFKSOJAVXJPL-UHFFFAOYSA-N 315.377 -0.007 30 20 DBED C#CCNC(=O)CN1CC(NC(=O)COc2ccsc2)C1 1753392558 SVLNZTHBGFTWTJ-UHFFFAOYSA-N 307.375 -0.323 30 20 DBED C#CCNC(=O)CNC/C=C\CNC(=O)c1ncc(F)cc1F 1754139883 TVCWUCMZIUNTPA-ARJAWSKDSA-N 322.315 -0.015 30 20 DBED N#CCNC/C=C\CNC(=O)c1ccc(OCC(N)=O)cc1 1754146815 WQESCLKQHFVTCY-UPHRSURJSA-N 302.334 -0.050 30 20 DBED COc1ccc(C(=O)NC/C=C/CNCC(=O)NCC#N)o1 1754186861 JGWMTMLECTYJGN-NSCUHMNNSA-N 306.322 -0.196 30 20 DBED N#CCNC(=O)CNC[C@H]1CCCC[C@H]1NC(=O)c1ncc[nH]1 1754342286 WEGALHIITUMNQL-VXGBXAGGSA-N 318.381 -0.072 30 20 DBED C=C[C@](C)(O)CC(=O)N(C)C1CN(C[C@H](O)Cn2cccn2)C1 1754574244 MKRJTKUDDFACHR-HOCLYGCPSA-N 322.409 -0.286 30 20 DBED C#CCNC(=O)CN1CC(N(C)C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 1754578555 LGKLVFPKKJYLQY-CHWSQXEVSA-N 315.377 -0.595 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H]1COCCN1Cc1cnn(C)n1 1754967791 PLPJMLJNHJKRBL-OCCSQVGLSA-N 321.381 -0.830 30 20 DBED N#CCNC(=O)CN[C@@]1(CO)CCCN(C(=O)c2ccc[nH]2)C1 1755080291 BVRVVPQAPSKROI-HNNXBMFYSA-N 319.365 -0.789 30 20 DBED C#CCN[C@H](CCN(C)C(=O)[C@H]1CCS(=O)(=O)N1)C(C)C 1755343051 PORUROWQHMNWMX-CHWSQXEVSA-N 315.439 -0.226 30 20 DBED CC#CCN1CC(CCO)(NC(=O)[C@H](C)CS(C)(=O)=O)C1 1755344068 KNOXKGYPHFKUQE-GFCCVEGCSA-N 316.423 -0.757 30 20 DBED C=CCCN1C[C@H]2C(CNC(=O)CN3C(=O)CNC3=O)[C@@H]2C1 1755435351 FECFEKPGIHTKEP-RYUDHWBXSA-N 306.366 -0.592 30 20 DBED CC(C)(C)C(=O)C(=O)NCC1=CCN(CC(=O)NCC#N)CC1 1755883781 AQRGREAUNKZKOP-UHFFFAOYSA-N 320.393 -0.010 30 20 DBED C=CCCCC(=O)N[C@@H](C)CN(C)C(=O)CN1C(=O)CNC1=O 1756497323 CAKZYFKZVAETOK-NSHDSACASA-N 324.381 -0.142 30 20 DBED C[C@H]1C[C@@H](NC(=O)C#CC2CC2)CN1C(=O)c1cn(C)nn1 1756588153 OCPVULCKXSVBIQ-CMPLNLGQSA-N 301.350 -0.052 30 20 DBED CC(C)C#CC(=O)N(C)C[C@@H](O)CNC(=O)C1(CN(C)C)CC1 1756661532 AFEXXAVUPGQOLX-AWEZNQCLSA-N 323.437 -0.077 30 20 DBED CCN(C(=O)COc1cnc(C#N)nc1)[C@@H]1CCS(=O)(=O)C1 1771660738 VDCKNYMSEHDMGG-SNVBAGLBSA-N 324.362 -0.237 30 20 DBED O=C(O)C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(=O)C1CC1 1793024375 FSHPEAOXYRYTRV-ZSBIGDGJSA-N 318.329 -0.308 30 20 DBED C=C1CC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](C)O)C1 1800745042 FKHYLVQYXQZYGT-DEQVHRJGSA-N 308.378 -0.077 30 20 DBED C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(=O)n1O)C2 1801596984 FHWCIRUIMRTCAN-ZSBIGDGJSA-N 315.329 -0.029 30 20 DBED CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)S)C2)C1 1835206665 RJZKIDAFRWJTFB-GWCFXTLKSA-N 302.396 -0.219 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)c1ncon1)C2 1841601618 UVRFJJOCNQWLRA-NSHDSACASA-N 318.333 -0.075 30 20 DBED N#Cc1ccccc1S(=O)(=O)N1CCN(CC(=O)O)CC1 35126672 FQZLDAAAHHRXRW-UHFFFAOYSA-N 309.347 -0.051 30 20 DBED C=CCN(CC=C)C(=O)[C@@H](C)N1CCN(S(N)(=O)=O)CC1 42634643 TYJXVRGYWPJGLC-GFCCVEGCSA-N 316.427 -0.603 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(C)nn2C)C1=O 53848998 HOSNOCUDLAKOKV-UHFFFAOYSA-N 305.294 -0.356 30 20 DBED C=CCN1CCC(NC(=O)NCCNS(=O)(=O)CC)CC1 171713023 WBLYGVYHGFGPOD-UHFFFAOYSA-N 318.443 -0.125 30 20 DBED N#Cc1cccc(OCCN2CCN3C(=O)C(=O)NC[C@@H]3C2)c1 177110449 MWCYFVKZUKTJMC-CYBMUJFWSA-N 314.345 -0.420 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC([C@H](C)N)CC2)C1=O 262542580 HHAJMHILQSIYPX-JTQLQIEISA-N 322.365 -0.451 30 20 DBED CC/N=C(/NC[C@@H]1CN2CCN1CC2)N1CCN(C(C)=O)CC1 262742295 CRSQCNKGGFVBQX-OAHLLOKOSA-N 322.457 -0.884 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(C)CCn2cccn2)C1=O 264689714 XYVGXPPJHPNWIF-UHFFFAOYSA-N 319.321 -0.682 30 20 DBED C=C(Cl)CNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 265531010 NNBCTRGKPYDOAS-UHFFFAOYSA-N 311.729 -0.698 30 20 DBED C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cc2)C[C@@H](C(N)=O)O1 268388763 WTQABKGEJOOKEZ-SKDRFNHKSA-N 309.347 -0.178 30 20 DBED C=CCN/C(N)=N/C[C@@H](O)CS(=O)(=O)c1cccs1 269700249 MCPYSXKAZMFVRU-SECBINFHSA-N 303.409 -0.027 30 20 DBED C=CCSCCNC(=O)C(=O)N[C@@H]1CCN(CCOC)C1 286532586 PZVHZIAQHDWBLV-GFCCVEGCSA-N 315.439 -0.141 30 20 DBED CC#CCN(C)C(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 294498654 JSKHAOLDZAEOLG-CQSZACIVSA-N 307.394 -0.351 30 20 DBED COC[C@@H](C)N/C(N)=N/CCCN1CCC[C@H]1C(=O)N(C)C 303982501 QDVKXHNDQRKTGG-OLZOCXBDSA-N 313.446 -0.132 30 20 DBED C[C@@H]1C[C@H](O)CN1/C(O)=N/C[C@H]1CCCN1S(C)(=O)=O 329924117 UWEPYBQXFVKHEN-MXWKQRLJSA-N 305.400 -0.221 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)NCC1(S(C)(=O)=O)CC1 331739064 DRKBBEAAMHMRJC-SNVBAGLBSA-N 323.440 -0.120 30 20 DBED C=CCN([C@H]1CCS(=O)(=O)C1)[C@H](C)C(=O)NC(=O)NCC 334091865 MFZQIIQZLSYREP-MNOVXSKESA-N 317.411 -0.104 30 20 DBED CC(=O)NC1CN(C(=O)C(=O)Nc2nn(C(C)C)cc2C#N)C1 342683781 BJMNXTLBWSAWKG-UHFFFAOYSA-N 318.337 -0.379 30 20 DBED Cc1ccc(-c2nnn(CC(=O)NCC(=O)NCC#N)n2)cc1 343516983 KCYYLNIZIHVHFC-UHFFFAOYSA-N 313.321 -0.596 30 20 DBED C[C@H](CO[C@@H]1CCOC1)NC(=O)NCCn1cnc(C#N)n1 345428362 GVCDVEQACKAJFX-GHMZBOCLSA-N 308.342 -0.357 30 20 DBED Cc1noc2ncc(S(=O)(=O)NCC(=O)NCC#N)cc12 352509247 FPYPNBLOYUEBGU-UHFFFAOYSA-N 309.307 -0.551 30 20 DBED CNc1ccc(C#N)cc1NC(=O)C[C@@H](NC(C)=O)C(N)=O 355641613 HZEVYLDXSYNBQF-GFCCVEGCSA-N 303.322 -0.081 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccc(F)cn2)C1=O 358456483 FJELSZDXOXFTQB-UHFFFAOYSA-N 320.280 -0.186 30 20 DBED C=CCNC(=O)CNS(=O)(=O)[C@@H]1CCC[C@@H]1C(=O)OC 360135252 ZEQVBLNASLPQCM-VHSXEESVSA-N 304.368 -0.450 30 20 DBED C[C@H](CCC#N)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 411124070 GEQVXPZVFPNULL-CYBMUJFWSA-N 308.382 -0.318 30 20 DBED C=CCCCS(=O)(=O)N1CCS(=O)(=O)[C@@H](C(=O)O)C1 424373086 XKBUEUOOYWRNMR-SECBINFHSA-N 311.381 -0.534 30 20 DBED C=CCCn1cc(C(=O)NCCCNS(C)(=O)=O)nn1 424559841 GWRDJDDUYBYLEV-UHFFFAOYSA-N 301.372 -0.477 30 20 DBED C#CCN1CCN(C(=O)CN2C[C@@H](CO)OC(C)(C)C2)CC1 491268467 ZRWJTUUCPIIHIG-AWEZNQCLSA-N 309.410 -0.765 30 20 DBED C#CCNC(=O)CCN1CCCC[C@@H]1CCNS(C)(=O)=O 491743906 IEJVNICDIBLACZ-CYBMUJFWSA-N 315.439 -0.080 30 20 DBED Cc1nn(C)c(N2CCN(S(=O)(=O)NC3CC3)CC2)c1C#N 530514672 RFCHBZBAQFMKCH-UHFFFAOYSA-N 324.410 -0.281 30 20 DBED C=CCOC[C@H](NS(=O)(=O)c1ccn(C)n1)C(=O)OC 564907935 OWAOMMUGRNFPTA-VIFPVBQESA-N 303.340 -0.557 30 20 DBED Cn1c(N2CC[S@@](=O)C(C)(C)CC2)c(C#N)c(=O)n(C)c1=O 567752648 RUBGOXWZABVCBF-JOCHJYFZSA-N 324.406 -0.307 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)Cc2ccn(C)n2)CC1 584073760 NYRZMCOWUSWJHN-UHFFFAOYSA-N 305.382 -0.591 30 20 DBED Cc1cc(NC(=O)Cn2nc(C)n(C)c2=O)nn1CCC#N 594000121 SQDLLXZWPXRPOK-UHFFFAOYSA-N 303.326 -0.052 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)NCc1nc(C(N)=O)co1 594802947 FLQQJQLRKXQGBY-MRVPVSSYSA-N 315.355 -0.411 30 20 DBED CNS(=O)(=O)N1CCN(C(=O)NCC2(C#N)CCC2)CC1 596632772 NGANDNLYVKHMRG-UHFFFAOYSA-N 315.399 -0.528 30 20 DBED C[C@H](C#N)N(C(=O)CNS(=O)(=O)c1cnn(C)c1)C1CC1 598132810 RQAXSDWIDKAYOK-SECBINFHSA-N 311.367 -0.399 30 20 DBED C=CCOCC(=O)N1CCN(C(=O)COCC=C)[C@@H](C#N)C1 602357366 GQXMFEMISRIAOC-ZDUSSCGKSA-N 307.350 -0.045 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCCC[C@H]2C(C)=O)C1=O 615586937 TVDKIBLTWVPACH-NSHDSACASA-N 321.333 -0.067 30 20 DBED C=CCn1cc(C(=O)N(C)[C@@H]2CCN(S(C)(=O)=O)C2)nn1 648399115 GUEUYGYUQJWKDB-SNVBAGLBSA-N 313.383 -0.430 30 20 DBED CN(CCNS(C)(=O)=O)S(=O)(=O)c1cccc(C#N)c1 690927336 QDDPOWPOGFQUEW-UHFFFAOYSA-N 317.392 -0.272 30 20 DBED C#CCOc1ccc(NC(=O)C(=O)NCC(=O)NCC)cc1 731125338 GIIZLEKAYYLLMD-UHFFFAOYSA-N 303.318 -0.111 30 20 DBED O=C(NCC#CCO)[C@H](O)[C@H](O)c1nc2ccccc2s1 773549569 CZNKIIKTCGJAMF-NEPJUHHUSA-N 306.343 -0.198 30 20 DBED C#CCOCCNC(=O)Cn1c(=O)nc(O)c2ccccc21 784769079 VIADLOWMRQTKEL-UHFFFAOYSA-N 301.302 -0.132 30 20 DBED COC(=O)CC(C)(C)NS(=O)(=O)N1CCO[C@H](C#N)C1 800060882 YQGFARVDJFWSIX-SECBINFHSA-N 305.356 -0.613 30 20 DBED C#CCN(C)C(=O)Nc1cccn(CCS(C)(=O)=O)c1=O 801641457 FQLCXCDOBKQVPX-UHFFFAOYSA-N 311.363 -0.010 30 20 DBED C=CCOC[C@@H]1NC(=O)N(CCS(=O)(=O)NCC)C1=O 804161665 MTYVKYRSSMIDHW-VIFPVBQESA-N 305.356 -0.951 30 20 DBED C#CCNC(=O)Cn1cnc2ccc(S(C)(=O)=O)cc2c1=O 809968124 ODNDFCDJFLYWEY-UHFFFAOYSA-N 319.342 -0.451 30 20 DBED C=CCS(=O)(=O)NC(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O 815997426 LNCURUTUAQXJAN-AOOOYVTPSA-N 312.347 -0.430 30 20 DBED C#C[C@H](NC(=O)C(=O)N1C[C@H](C)C[C@@H](C(=O)O)C1)[C@H]1CCCO1 817890914 BNZMLBVVMVWBQI-FVCCEPFGSA-N 322.361 -0.147 30 20 DBED CN(C)c1nc(Cn2cnc(-c3nn[nH]n3)c2C#N)ns1 825883520 JITUCQNVEXGYFT-UHFFFAOYSA-N 302.327 -0.099 30 20 DBED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)[C@@H]2CC(=O)N2)C1 832164066 XYQCMDGNHNXWET-LPEHRKFASA-N 308.338 -0.250 30 20 DBED C#CCC[C@H](O)CNC(=O)c1sccc1S(N)(=O)=O 847169546 ASTOCXCAXOGXOJ-QMMMGPOBSA-N 302.377 -0.100 30 20 DBED C#CCNC(=O)[C@@H](C)OC(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1 859899382 MHNCVKBWGMDDKR-GHMZBOCLSA-N 318.333 -0.546 30 20 DBED C#C[C@H](NC(=O)NCCCS(=O)(=O)NC)[C@H]1CCCO1 868940798 WFXRNHYZRRDZQP-WDEREUQCSA-N 303.384 -0.594 30 20 DBED C#CCSCC(=O)O[C@H](C)C(=O)N[C@@H]1CCS(=O)(=O)C1 885889495 FEVCNWSQEQFZJA-NXEZZACHSA-N 319.404 -0.412 30 20 DBED CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1cccc(C#CCO)c1 912398125 ZCQYKTKCCOQNSM-KBPBESRZSA-N 323.370 -0.428 30 20 DBED C=CCNC(=O)CS(=O)(=O)CCN1C(=O)NC(C)(C)C1=O 914473026 MGTHIQYEDZKYRW-UHFFFAOYSA-N 317.367 -0.966 30 20 DBED C[C@@H](OC(=O)CN(C)S(C)(=O)=O)C(=O)N(C)CCC#N 914924143 XZPDVLBXBPVKIY-SECBINFHSA-N 305.356 -0.818 30 20 DBED C#CCN1C[C@H]2CCN(C(=O)CN3CCNC(=O)C3)CC[C@H]2C1 946714488 XXFCHMXGDRCNJA-GASCZTMLSA-N 318.421 -0.778 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CN2CCNC(=O)C2)C[C@@H]1C 947621907 XUEHIXPVFLJCSZ-UONOGXRCSA-N 306.410 -0.589 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CNC(=O)[C@H]2CN(C)CCO2)CC1 949391252 UYJIMHZIGHELDW-TZMCWYRMSA-N 322.409 -0.169 30 20 DBED Cn1cc(C(=O)N2CC[C@@H]2CNC(=O)c2c[nH]c(C#N)c2)nn1 949490624 FBTPVZIDZNUELY-LLVKDONJSA-N 313.321 -0.341 30 20 DBED C#CCCN1CC(N(CC)C(=O)[C@@H]2CCN(C)S2(=O)=O)C1 952446677 VFCJOUPTHXFGGH-ZDUSSCGKSA-N 313.423 -0.424 30 20 DBED CN(C(=O)[C@@H]1COCCO1)C1CN(C(=O)c2cc(C#N)c[nH]2)C1 953770165 VNPATZHBLALIRF-ZDUSSCGKSA-N 318.333 -0.415 30 20 DBED C#Cc1ccc(C(=O)N2CCN(Cc3nc(O)n[nH]3)CC2)nc1 957379085 ZNXLNCMRMRRIPP-UHFFFAOYSA-N 312.333 -0.155 30 20 DBED N#CCN1C[C@H](O)[C@H](CNC(=O)c2nnc3ccccc3n2)C1 958264539 XEAUDWQSVKKLGJ-MFKMUULPSA-N 312.333 -0.429 30 20 DBED C=CCN1C[C@H](CNC(=O)c2cnn(CCN(C)C)c2)[C@@H](O)C1 958468464 YFQMYKIMNHOGCB-ZFWWWQNUSA-N 321.425 -0.347 30 20 DBED CC(=O)NCc1ccc(C(=O)NC[C@H]2CN(CC#N)C[C@@H]2O)o1 958485927 SSFKGFWSFAVNNE-AAEUAGOBSA-N 320.349 -0.538 30 20 DBED C#CCCN1C[C@@H](O)[C@H](CNC(=O)c2cnc(OC)nc2)C1 958561760 AZEVVSGHZMLERY-CHWSQXEVSA-N 304.350 -0.469 30 20 DBED CC#CCN1C[C@H]2C(NC(=O)c3coc(S(N)(=O)=O)c3)[C@@H]2C1 960618686 BAFYNKUHERFQFW-GHMZBOCLSA-N 323.374 -0.390 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CN(C(=O)c3ncn(C)n3)C[C@H]2C1 961509606 SLYUQRFISNRGAC-GARJFASQSA-N 302.338 -0.495 30 20 DBED C=CCN1C[C@@H]2C(NC(=O)c3cc(=O)n4[nH]cnc4n3)[C@H]2C1 962277608 ABNZYKLQUCTLOQ-IUCAKERBSA-N 300.322 -0.736 30 20 DBED C=CCCN1C[C@H]2[C@H](NC(=O)c3cc(=O)n4[nH]cnc4n3)[C@H]2C1 962291244 WSCQTBZZMDBYDH-IWIIMEHWSA-N 314.349 -0.346 30 20 DBED C#CCNC1CCC(N(C)C(=O)CN2CC(=O)NC2=O)CC1 964025675 SFGNRUOCGGJZNX-UHFFFAOYSA-N 306.366 -0.469 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)C1=COCCO1 964062264 PZLJZMYCXSZYQP-WDEREUQCSA-N 309.322 -0.622 30 20 DBED Cc1cnc(C(=O)NC[C@H]2COCCN2C(=O)[C@@H](C)C#N)cn1 964085159 WNJFQUOIVWRKPU-JQWIXIFHSA-N 317.349 -0.098 30 20 DBED C=CCCN1CC[C@@H](C)[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 966171058 ZPLVXHWHQJTUPB-VXGBXAGGSA-N 320.397 -0.220 30 20 DBED C[C@@H]1CCN(CC#N)C[C@H]1NC(=O)c1cn(C)c(=O)n(C)c1=O 968374031 KPCOSLCFYWMDJM-ZYHUDNBSSA-N 319.365 -0.952 30 20 DBED C#CCCN1CC[C@@H](C)[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)C1 968628141 SVSUDFOWQAOXMS-OLZOCXBDSA-N 320.393 -0.270 30 20 DBED C#CCN1CC[C@H](C)[C@H](NC(=O)c2nccnc2C(N)=O)C1 968628487 ZEOPOXKSTCVIHB-WDEREUQCSA-N 301.350 -0.351 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2cn(C)nn2)C1 974089044 PNVHIJPWJVKCOZ-XZUYRWCXSA-N 319.365 -0.217 30 20 DBED C#CCCN1C[C@H](NC(=O)CN2CCNC(=O)C2)C(C)(C)C1 974919921 HJMRVKPYBMHFTF-ZDUSSCGKSA-N 306.410 -0.732 30 20 DBED C[C@]1(C(=O)N[C@H]2[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]32)CCNC1=O 977188245 BJPCCNLFGJHUGW-RKCSVJPLSA-N 315.373 -0.501 30 20 DBED O=C1CC[C@H](N2CCCN(C(=O)C#CC3CC3)CC2)C(=O)N1 981126240 RACHBCIRCVDZKD-ZDUSSCGKSA-N 303.362 -0.261 30 20 DBED O=C1NCC[C@@H]1C(=O)NC[C@H]1CCN(C(=O)C#CC2CC2)C1 982740167 UZOGPPGYYABRAK-OLZOCXBDSA-N 303.362 -0.499 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](CNC(=O)c2ccc(C(N)=O)[nH]2)C1 983210854 FXTQNULSSRGOCB-VHSXEESVSA-N 317.349 -0.148 30 20 DBED CC#CCN1CCCN(C(=O)CN2CCC(=O)NC2=O)CC1 989422543 MQBRGLIIJOSMHK-UHFFFAOYSA-N 306.366 -0.514 30 20 DBED C=CCn1cc(C(=O)N2CC(NC(=O)c3cnsn3)C2)nn1 990337468 QPXCXOUQMWUSFX-UHFFFAOYSA-N 319.350 -0.430 30 20 DBED COC(=O)[C@@H]1C[C@H]1C(=O)NC1CN(C(=O)c2ccc(C#N)[nH]2)C1 990469177 NTWHPGHDXVDALT-GHMZBOCLSA-N 316.317 -0.364 30 20 DBED N#Cc1cc(C(=O)NC2CN(C(=O)c3cnns3)C2)c[nH]1 990920886 RMKNOVITEAVLOA-UHFFFAOYSA-N 302.319 -0.008 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCN(C(=O)C3CC3)C[C@H]2O)nn1 991481325 BEOBTHKSWFGROM-WCQYABFASA-N 319.365 -0.434 30 20 DBED C=CCCN1CCC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)[C@@H]1C 994489158 SXIQEPCQPSKGQS-NWDGAFQWSA-N 320.397 -0.078 30 20 DBED C[C@H](C#N)C(=O)N1CC(NC(=O)[C@@H]2CCc3nnn(C)c3C2)C1 998494411 UWMWTMQDAIABFB-NXEZZACHSA-N 316.365 -0.593 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC(CNC(=O)c2cc[nH]n2)C1 1000999188 FXEHDXASNIAKTC-AWEZNQCLSA-N 315.377 -0.305 30 20 DBED C#CCCN1CC=C(CNC(=O)c2cn(C)c(=O)nc2O)CC1 1001443338 KKQLKRCSXDIEPM-UHFFFAOYSA-N 316.361 -0.129 30 20 DBED C=C(Cl)CN1CCC[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 1007522693 NKJWZKBTPJMWFT-UWVGGRQHSA-N 314.773 -0.082 30 20 DBED C=CCn1cc(C(=O)N2CCO[C@@H]([C@@H](C)NC(C)=O)C2)nn1 1009690438 PZPHOOSCHVFZFB-ZWNOBZJWSA-N 307.354 -0.170 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2C[C@H](C)N(C(=O)C(N)=O)C2)cn1 1010279566 GTVIUYYJGFDLOZ-QWRGUYRKSA-N 314.345 -0.485 30 20 DBED C[C@@H]1C[C@@H](NC(=O)c2ncn(C)n2)CN1C(=O)C#CC1CC1 1012583256 XPNJLFCUDYXRFN-ZYHUDNBSSA-N 301.350 -0.052 30 20 DBED CCc1ocnc1C(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1023245571 ASJXIUSGOVSSEM-VXGBXAGGSA-N 317.345 -0.048 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CN(C(=O)C(C)C)C[C@H]2O)nn1 1023769370 OMKVWOLASJZZEG-ZYHUDNBSSA-N 307.354 -0.578 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN([C@@H](C)C(=O)N(C)C)C1 1030464029 FHKGYXWJPRDGPE-JSGCOSHPSA-N 306.410 -0.639 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)Cc3cncn3C)C2)C1=O 1031257248 NDVCLAFCRFCBCT-CQSZACIVSA-N 317.393 -0.450 30 20 DBED C#Cc1cncc(C(=O)NCC2CN([C@@H](C)C(=O)NC)C2)c1 1031963572 PEJHSLAZFDKJHF-NSHDSACASA-N 300.362 -0.141 30 20 DBED N#CCN1CCO[C@H](CNC(=O)c2c[nH]nc2[C@@H]2CCOC2)C1 1035461197 OQAVDYRESFXISQ-VXGBXAGGSA-N 319.365 -0.132 30 20 DBED CC#CCN1CCO[C@@H](CNC(=O)[C@@H]2CCCN2C(C)=O)C1 1035589342 PESKTWWYALQCMD-GJZGRUSLSA-N 307.394 -0.162 30 20 DBED C#CCCN1CCO[C@@H](CNC(=O)c2cn(C)c(=O)n2C)C1 1035617408 WHRMTLWHOYSMPI-LBPRGKRZSA-N 306.366 -0.822 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)Cn3ccc(O)nc3=O)CC[C@H]21 1036763475 BFBKZQCUOTZZJE-CHWSQXEVSA-N 316.361 -0.495 30 20 DBED C#CCCN1CC[C@H]2CN(C(=O)Cn3c(O)nnc3O)CC[C@H]21 1036880132 ZTKIOEKEXDIJAB-NWDGAFQWSA-N 319.365 -0.365 30 20 DBED CC[C@@H]1CN(C(=O)Cn2ccc(O)nc2=O)CC[C@H]1NCC#N 1037877440 QFEGYXTUOMGVRO-VXGBXAGGSA-N 319.365 -0.311 30 20 DBED N#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CN1CC(=O)NC1=O 1039453376 YUIREGAKTJLSIH-MNOVXSKESA-N 305.338 -0.873 30 20 DBED C#CCCN1[C@H]2CCC[C@H]1CN(C(=O)C[C@@H]1NC(=O)NC1=O)C2 1039647158 WCPHWEOAGUPLSN-AVGNSLFASA-N 318.377 -0.327 30 20 DBED CNC(=O)CCCC(=O)N1CC[C@@](O)(CNC(=O)[C@@H](C)C#N)C1 1040760100 FNNHEIOGTIVDIR-XHDPSFHLSA-N 324.381 -0.858 30 20 DBED C#CCN1CCC2(CC1)CCN(C(=O)C1CC(=O)NC(=O)C1)C2 1040883064 URSOEUVRTXJYBN-UHFFFAOYSA-N 317.389 -0.013 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)CC(C)C)C1 1041252550 UFFFYULRDFIXJH-AWEZNQCLSA-N 321.421 -0.180 30 20 DBED COCCCC(=O)N1CC(O)(CNC(=O)c2ccc(C#N)[nH]2)C1 1042609158 RWCGPYFQHXNEJL-UHFFFAOYSA-N 320.349 -0.384 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)CCc2ncc[nH]2)C1 1042936866 SKBKJEUCQVOXOC-UHFFFAOYSA-N 318.377 -0.309 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)CCc2ccon2)C1 1043875841 KNOJISVWYNWRDP-SNVBAGLBSA-N 306.322 -0.544 30 20 DBED C[C@H]1OCC[C@]1(C)C(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1043950309 PPXJNSDWPLGAOU-WBMJQRKESA-N 320.389 -0.096 30 20 DBED N#Cc1cccnc1N1C[C@H](O)[C@H](NC(=O)c2ccncn2)C1 1044116989 AGCGXXBWODWJTN-OLZOCXBDSA-N 310.317 -0.277 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)COc2cccnc2)C1 1045546041 HBUBFHGZGRWNAR-NSHDSACASA-N 318.333 -0.690 30 20 DBED N#CCN1CC[C@H](N2CCN(C(=O)c3ccncn3)CC2)C1 1046071400 JIECCFVWYHXXQJ-ZDUSSCGKSA-N 300.366 -0.168 30 20 DBED C#CCN1C[C@H]2C[C@@H](NC(=O)CN3CCOCC3=O)C[C@H]1C2 1047089228 OSSOHOKLSYUQOK-BFHYXJOUSA-N 305.378 -0.553 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCCS2(=O)=O)C1 1047406558 GSGRRPYYAIDYCJ-AVGNSLFASA-N 314.407 -0.910 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C2CC2)N2CCCC2)C1 1047470447 PAYOAPYREYETSA-HRCADAONSA-N 305.422 -0.003 30 20 DBED C=CC(C)(C)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CC(N)=O)C1 1048604962 JGMOPZUGLJOLKC-QWRGUYRKSA-N 311.382 -0.506 30 20 DBED C#Cc1ccc(C(=O)N2C[C@@H]3CN([C@H](C)C(N)=O)C[C@@H]3C2)nc1 1049177896 UBOMEOCAPRCKFI-BNOWGMLFSA-N 312.373 -0.060 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)Cc2ccon2)C[C@@H]1O 1049388337 JNXCNOKKKDGYDB-USWWRNFRSA-N 306.322 -0.593 30 20 DBED CC(=O)NCC(=O)N[C@H](C)[C@@H]1CCN(C(=O)C#CC2CC2)C1 1050665413 JKVFZMHHZMAEPW-BXUZGUMPSA-N 305.378 -0.111 30 20 DBED C=CCN1CCN([C@@H]2CCN(C(=O)[C@H]3CNC(=O)N3)C2)CC1 1052074179 VZGYWXVXWFXBFC-CHWSQXEVSA-N 307.398 -0.928 30 20 DBED COCc1nocc1C(=O)N[C@H]1COC2(C1)CN(CC#N)C2 1053979898 ZRODLGGPONHANM-SNVBAGLBSA-N 306.322 -0.082 30 20 DBED C#CCOCCC(=O)N1C[C@H]2CN(C(=O)c3cn[nH]c3)C[C@H]2C1 1055193461 PAGPUDVDBDWOQM-OKILXGFUSA-N 316.361 -0.020 30 20 DBED Cn1cc(CC(=O)NC2[C@@H]3CN(c4ccc(C#N)nn4)C[C@@H]23)cn1 1056147202 MDTPMZSHPJIDRN-CHWSQXEVSA-N 323.360 -0.125 30 20 DBED Cc1cc(C#N)nc(N2C[C@@H]3C(NC(=O)c4cnn(C)n4)[C@H]3C2)n1 1056254589 DHUSYBBFUJVOMU-QWRGUYRKSA-N 324.348 -0.350 30 20 DBED Cc1cc(C#N)nc(N[C@@H]2CCN(C(=O)[C@@H]3COC(=O)N3)C2)n1 1056617651 CJTGRARHGBXZGF-KOLCDFICSA-N 316.321 -0.222 30 20 DBED C=C[C@@H](C)[C@H](C)C(=O)NCCN(CCO)C(=O)CNC(C)=O 1056817301 MOYKHMNLFYIWHL-NEPJUHHUSA-N 313.398 -0.482 30 20 DBED C#CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)C1=COCCC1 1057176412 ZIQUOGGSTVLMBQ-ZDUSSCGKSA-N 324.377 -0.344 30 20 DBED C=C[C@@](C)(O)CC(=O)N(CCO)CCNC(=O)[C@H]1CC1(F)F 1057450171 MNTWRCDOWHRWSJ-ZWNOBZJWSA-N 320.336 -0.094 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)Cc1n[nH]c(C)n1 1057540409 SEOSWTUBKCPAFH-UHFFFAOYSA-N 309.370 -0.441 30 20 DBED N#Cc1cnc(N[C@@H]2CCCN(C(=O)Cn3cnnn3)C2)cn1 1057586214 RLBIGQYEEUONKF-SNVBAGLBSA-N 313.325 -0.562 30 20 DBED C#Cc1ccc(C(=O)N(CCO)CCNC(=O)[C@H](C)OC)nc1 1058238907 XAONLYVMXSDHBJ-LBPRGKRZSA-N 319.361 -0.352 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)[C@@]12CCCN(CC1)C2 1058266080 BYNNDYMOTULNSU-CJNGLKHVSA-N 322.409 -0.431 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)C[C@H]1CCC(=O)N1C 1058281347 UEPJKGHFNBBDBM-VXGBXAGGSA-N 324.381 -0.906 30 20 DBED N#Cc1nccnc1N1CC[C@@H](NC(=O)CN2CCCC2=O)C1 1058308425 QCEFBVKMDRUEHA-LLVKDONJSA-N 314.349 -0.334 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CCN(c3nccn4nnnc34)C2)c[nH]1 1058320883 NRJHRJYIRNHIBH-SNVBAGLBSA-N 323.320 -0.272 30 20 DBED N#Cc1cncc(N2CC[C@@H](NC(=O)[C@H]3CCCC(=O)N3)C2)n1 1058473384 WHDNJCYEKRQOKK-ZYHUDNBSSA-N 314.349 -0.288 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)c1ncccc1F 1058655338 WMBCSNYXBRMACS-SNVBAGLBSA-N 308.313 -0.069 30 20 DBED CN1C[C@H](C(=O)N[C@H]2C[C@@H](N=c3cc[nH]cc3C#N)C2)CC1=O 1059862621 UICVOFPACRCLPW-RTXFEEFZSA-N 313.361 -0.087 30 20 DBED C=CCOCC(=O)NC[C@H]1COCCN1C(=O)C[C@H](C)OC 1061422041 ZNXRLIQTCMFXHE-STQMWFEESA-N 314.382 -0.042 30 20 DBED N#Cc1nccnc1N1CCC[C@@H]1CNC(=O)[C@H]1C[C@H]1C(N)=O 1061444619 DTRKOOUCFWBSPI-MXWKQRLJSA-N 314.349 -0.445 30 20 DBED Cc1c(C(=O)N2CCO[C@H](CNC(=O)[C@@H](C)C#N)C2)nnn1C 1065007313 GFJACYZBGZWOCE-GXSJLCMTSA-N 320.353 -0.760 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CN(C(=O)CC2(O)CCC2)CCO1 1065124313 MJNJGPLTEAHVHP-VXGBXAGGSA-N 309.366 -0.205 30 20 DBED C#CCOCCC(=O)N1CCO[C@H](CNC(=O)[C@@H](C)C#N)C1 1065150109 LNVVDBUPFOKPNH-QWHCGFSZSA-N 307.350 -0.470 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)c2cnn(C)n2)CCO1 1065345451 SCLJZDPVZBUQRL-LBPRGKRZSA-N 319.365 -0.568 30 20 DBED C#CCOCCC(=O)N(C)CCCN(C)C(=O)Cn1cncn1 1067427218 GJPIARLITCHQHF-UHFFFAOYSA-N 321.381 -0.375 30 20 DBED CN(C(=O)C(N)=O)[C@H]1CCCN(c2cnc(C#N)cn2)CC1 1067608155 LCVUXXDHAZMOOW-NSHDSACASA-N 302.338 -0.349 30 20 DBED N#Cc1nccnc1N1C[C@@H](O)[C@@H](CNC(=O)c2cn[nH]c2)C1 1067651262 ISRGFBZYOYPJAW-CMPLNLGQSA-N 313.321 -0.702 30 20 DBED C[C@H]1[C@H](N=c2cc[nH]cc2C#N)CCN1C(=O)c1nnn(C)n1 1068928800 ROXMTARWEWDEQC-GXSJLCMTSA-N 312.337 -0.386 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1COC2(C1)CN(C(=O)c1cncnc1)C2 1069003852 QEFGEHLOOWIKOC-PWSUYJOCSA-N 315.333 -0.264 30 20 DBED N#CCN[C@@H]1CN(C(=O)CCc2ccon2)C[C@@H]1n1ccnn1 1070233176 CQYSUIYFEBEFIS-OLZOCXBDSA-N 315.337 -0.236 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCC[C@@H](NC(=O)Cn2cnnn2)C1 1070666493 RHNDUFNCOPRDKK-RISCZKNCSA-N 322.369 -0.893 30 20 DBED N#CCN1C[C@H]2C[C@H]3CN(C(=O)[C@H]4CCC(=O)N4)C[C@@]3(C1)O2 1070776100 DJHCGSCNHXVLFR-FUTJPDQTSA-N 304.350 -0.910 30 20 DBED CC[C@H](C(N)=O)N1CCNC(=O)CCN(C(=O)[C@@H](C)C#N)CC1 1070948526 PYXORUQKZBVUDM-NWDGAFQWSA-N 323.397 -0.940 30 20 DBED C=C(C)[C@@H](CC(=O)N[C@@H]1CCCN(C(=O)C(N)=O)C1)OCC 1071220651 KSGVPXZUKIGREE-VXGBXAGGSA-N 311.382 -0.050 30 20 DBED C[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)CS(C)(=O)=O 1072047903 HEIKYLWSZGGSRE-CMPLNLGQSA-N 312.391 -0.593 30 20 DBED CC1(NC(=O)CNC(N)=O)CCN(C(=O)C#CC2CC2)CC1 1073010517 OPBDRJLUWQIZQX-UHFFFAOYSA-N 306.366 -0.435 30 20 DBED COc1c[nH]c(C(=O)NC[C@@H]2CN(CC#N)CCCO2)cc1=O 1073697890 SHPCXHWJQQLVDN-LLVKDONJSA-N 320.349 -0.272 30 20 DBED CNC(=O)CC(=O)N1CC[C@@H](NC(=O)C#CC2CC2)[C@H](C)C1 1073945910 KVEYDIOOFJLDDM-DGCLKSJQSA-N 305.378 -0.111 30 20 DBED C#CCCCC(=O)N1CC[C@@H](NC(=O)c2nnn(C)n2)[C@H](C)C1 1074110524 RRLZRMLARMHZQG-VXGBXAGGSA-N 318.381 -0.020 30 20 DBED C[C@H](C#N)C(=O)N1CCC(O)(CNC(=O)[C@@H]2CCOC2)CC1 1074704798 IMTUDGRNGKDCEH-VXGBXAGGSA-N 309.366 -0.348 30 20 DBED C=CCCn1cc(C(=O)N2CC[C@H](N[C@@H](C)C(N)=O)[C@@H]2C)nn1 1074955220 ZTLWYBLPCFCNRV-SRVKXCTJSA-N 320.397 -0.079 30 20 DBED C#CCCCC(=O)NCC[C@H](C)NC(=O)CN1CCOCC1=O 1076303650 DBTKAGJVZOEXQB-ZDUSSCGKSA-N 323.393 -0.340 30 20 DBED Cn1cc(CN2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)cn1 1076905810 BDPIFFCUSGTDBM-ZIAGYGMSSA-N 314.349 -0.405 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3nnc(O)n3C2)C1 1077257195 YVVKLCBFWPYBJC-IJLUTSLNSA-N 321.381 -0.717 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)CN2Cc3ccccc3C2=O)C1 1078027654 BJBPRLJYHOPHBG-HUUCEWRRSA-N 315.373 -0.010 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)c2c(OC)ncnc2OC)C1 1078273400 PCOGKEZSGYAPQA-GHMZBOCLSA-N 322.365 -0.155 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)[C@@H]2COCCO2)C1 1079349989 UTBGIMDTDMPXSM-JSGCOSHPSA-N 324.377 -0.501 30 20 DBED C=CCN1C[C@@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)[C@H](C)C1 1081000123 ZDWQNAJHFMOEMM-VXGBXAGGSA-N 320.397 -0.398 30 20 DBED CSCC(=O)NC[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1O 1081237778 TYNWWXYCKKWHLW-ZYHUDNBSSA-N 322.390 -0.202 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2cc(C)on2)C[C@@H]1O 1081345067 YCXLMXAERGSDQD-YPMHNXCESA-N 323.349 -0.265 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@H](CNC(=O)Cc2cc[nH]n2)C1 1081369268 WJZAOKJLLHOTHE-OCCSQVGLSA-N 318.377 -0.309 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)CCN(C)C)C[C@@H]1O 1081439213 NIDCQASMGOYGHX-KGLIPLIRSA-N 309.410 -0.323 30 20 DBED C=CCOCC(=O)N1C[C@H](CNC(=O)c2cc[nH]c2)[C@@H](O)C1 1081539227 KRTUMRIPBFEBIH-STQMWFEESA-N 307.350 -0.234 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@H](CNC(=O)c2n[nH]cc2F)C1 1081744743 RWDWPEVXXHVTNA-PWSUYJOCSA-N 322.340 -0.243 30 20 DBED CCC(=O)N1CC[C@H](C(=O)N2CCO[C@@H]3CN(CC#N)C[C@@H]32)C1 1083242532 MFHHDPRAGVBTKX-MELADBBJSA-N 320.393 -0.320 30 20 DBED COC[C@H](C)n1cc(C(=O)N[C@@H]2CN(CC#N)C[C@@H]2O)c(C)n1 1083460511 LCOMUJRLWGMYIN-GDLCADMTSA-N 321.381 -0.303 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(C/C=C/Cl)C[C@@H]1O 1083537516 ZTNFLQBHQASSJJ-DQFVMQEFSA-N 311.813 -0.002 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)c2ccnc3c2CC(=O)N3)C1 1083604331 RGZATMLBVUBRRW-NEPJUHHUSA-N 302.334 -0.463 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(Cc2cncn2C)C[C@@H]1O 1083789566 JOOSCMQNIWXETJ-KBXIAJHMSA-N 320.393 -0.328 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)C(=O)N2CCC(C)CC2)C1 1083837445 CAACJWRCFODHJF-KGLIPLIRSA-N 307.394 -0.571 30 20 DBED CN1CC[C@@H](C(=O)N2C[C@@H](NCC#N)[C@H](c3cnn(C)c3)C2)C1 1087009467 HQBBUUNQQRSZMG-VHDGCEQUSA-N 316.409 -0.221 30 20 DBED C=CCN1CC[C@H](NC(=O)c2ccn(CCN(C)C)n2)[C@@H](O)C1 1090271465 IODIIQJPHLCALF-ZFWWWQNUSA-N 321.425 -0.204 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2cnc3nccn3c2)[C@@H](O)C1 1090430499 MQHDEHODPCKBPY-KGLIPLIRSA-N 313.361 -0.082 30 20 DBED C=CCCn1cc(C(=O)N[C@@H]2CCN(CCCO)C[C@@H]2O)nn1 1090637631 LJTPERCTDGBOJY-OCCSQVGLSA-N 323.397 -0.598 30 20 DBED Cn1nnc2cccc(C(=O)N[C@H]3CCN(CC#N)C[C@H]3O)c21 1090857761 LSBZYHSBURYLKP-WCQYABFASA-N 314.349 -0.343 30 20 DBED CO[C@H](C)C(=O)N[C@@H]1CN(c2nc(C)cc(C#N)n2)C[C@@H]1O 1091067804 QYBAHPFPRYWXLU-JLLWLGSASA-N 305.338 -0.643 30 20 DBED CCOCC(=O)N[C@@H]1CN(c2nc(C)ccc2C#N)C[C@@H]1O 1091069335 GUHMOTHDLWARRW-OLZOCXBDSA-N 304.350 -0.036 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1091081853 ODYVOVRXPAYOOG-NEPJUHHUSA-N 303.322 -0.783 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1C[C@@H](CNC(=O)CNC(N)=O)C1 1091313452 LINDFPAKLPDKGU-JGZJWPJOSA-N 302.338 -0.650 30 20 DBED COCCC(=O)N[C@H]1CCN(c2ccnc(C#N)n2)C[C@H]1O 1092132885 YWUSEQCLKAJLHC-WDEREUQCSA-N 305.338 -0.559 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(c2nccnc2F)C[C@H]1O 1092153252 FHCLHXUJKKXQDL-GHMZBOCLSA-N 310.329 -0.126 30 20 DBED Cn1cc(C(=O)N[C@@H]2CC3(CN(CC#N)C3)n3ccnc32)nn1 1092368601 NAEXSDMNJUOEMD-SNVBAGLBSA-N 312.337 -0.579 30 20 DBED C=CCN1CC2(C[C@@H](NC(=O)c3nnn(C)n3)c3nccn32)C1 1092387056 SKNYTTGJFQCLJM-SNVBAGLBSA-N 314.353 -0.522 30 20 DBED Cc1nonc1C(=O)N[C@H]1CC2(CN(CC#N)C2)n2ccnc21 1092414596 FYPCFMIJOHEWOH-JTQLQIEISA-N 313.321 -0.016 30 20 DBED N#Cc1nccc(N2CC[C@@]3(CNC(=O)C(N)=O)CCC[C@@H]23)n1 1092713046 SELQZOUNGMLSKR-MEBBXXQBSA-N 314.349 -0.301 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1CNC(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1 1092966213 VLDBSNKXHGSQIV-SYQHCUMBSA-N 322.409 -0.170 30 20 DBED C[C@@]1(C(=O)NCCNc2ccc(C#N)nn2)CCC(=O)NC1 1094059534 KNDXNLHNFHTXHR-CQSZACIVSA-N 302.338 -0.207 30 20 DBED C[C@H](C(=O)NCCNc1ccc(C#N)nn1)[C@@H]1CCC(=O)N1 1094133302 MRWZOYMFEWOPPE-ONGXEEELSA-N 302.338 -0.209 30 20 DBED CC(=O)N1CC(C(=O)NCCCNc2cnc(C#N)cn2)C1 1094410383 WHWDSCSZXXCEFO-UHFFFAOYSA-N 302.338 -0.255 30 20 DBED N#Cc1c[nH]ccc1=NCCCNC(=O)[C@@H]1CCCN1C(N)=O 1094474898 GLNQRFGXXWSZTI-ZDUSSCGKSA-N 316.365 -0.164 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2CC(=O)N(C3CN(CC#N)C3)C2)cn1 1094806601 UYNVUVDULCFFCH-AWEZNQCLSA-N 323.356 -0.399 30 20 DBED CNC(=O)CC(=O)NC1CCN(c2ccc(C#N)nn2)CC1 1095406524 CUXYJHXOKNGQDE-UHFFFAOYSA-N 302.338 -0.431 30 20 DBED N#Cc1nccc(N2CC[C@@H](NC(=O)CCn3cnnn3)C2)n1 1096415412 NPXPYXWNYBICOM-SNVBAGLBSA-N 313.325 -0.880 30 20 DBED N#Cc1ccc(N2CC[C@@H](NC(=O)C(=O)NCC(F)F)C2)nn1 1096445458 BKEFYWLBQJKNPB-SECBINFHSA-N 324.291 -0.576 30 20 DBED C[C@H](NC(=O)CC(N)=O)[C@@H]1CCCN(c2nccnc2C#N)C1 1097516295 BPXKMKANLWQIHD-WDEREUQCSA-N 316.365 -0.055 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CCS(=O)(=O)N1)Nc1ccc(C#N)nc1 1097875356 UOWYJURANXRBIY-CABZTGNLSA-N 323.378 -0.438 30 20 DBED C[C@H](CNC(=O)[C@@H]1CCN(C)C1=O)Nc1ccc(C#N)nn1 1098193219 BOYIMEONXGMGAX-KOLCDFICSA-N 302.338 -0.257 30 20 DBED CC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1CC(=O)N(C)C1=O 1098208779 IAWZOYOJUDEOEW-UPJWGTAASA-N 318.377 -0.375 30 20 DBED C[C@@H](CNC(=O)[C@]1(C)CCNC1=O)Nc1cncc(C#N)n1 1098261881 UTYCQVVVMBZGAL-LKFCYVNXSA-N 302.338 -0.209 30 20 DBED C[C@H](CNC(=O)CN1CCOCC1=O)Nc1ccc(C#N)nc1 1098356229 PCXVMXHCGVRIKE-LLVKDONJSA-N 317.349 -0.271 30 20 DBED N#CCNCc1cn([C@@H]2CCN(C(=O)[C@H]3COCCO3)C2)nn1 1098622528 LDCAZVTUOGDMAP-CHWSQXEVSA-N 320.353 -0.920 30 20 DBED CC(=O)N[C@H](C)C(=O)NCC[C@@H](C)N=c1cc[nH]c(C#N)n1 1098863590 JPBWZROHOXNLFM-NXEZZACHSA-N 304.354 -0.399 30 20 DBED C[C@H](CCNC(=O)[C@H]1C[C@H]1C(N)=O)Nc1ccc(C#N)nn1 1099692104 UKVVUKFOQBQDDV-IEBDPFPHSA-N 302.338 -0.224 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)c2ccn(C)c2)[C@H](O)C1 1099762760 ATEUSOOCSPXULH-UONOGXRCSA-N 320.393 -0.508 30 20 DBED C#CCCN1CC[C@@H](NC(=O)COCc2ccnn2C)[C@@H](O)C1 1099890972 YLBAWMLLPXGIIE-CABCVRRESA-N 320.393 -0.489 30 20 DBED C#CCN1CC[C@@H](NC(=O)C(C)(C)CN2CCOCC2)[C@@H](O)C1 1099892789 PPOKHJZFJYTBDB-CABCVRRESA-N 323.437 -0.471 30 20 DBED Cc1cc(N(C)CCNC(=O)Cn2cnnn2)c(C#N)cn1 1099921699 GNMPSSIIKWGOFV-UHFFFAOYSA-N 300.326 -0.499 30 20 DBED Cc1ccc(C#N)c(N(C)CCNC(=O)[C@H](C)NC(N)=O)n1 1100025900 ZVVJVMQKHSGMEO-JTQLQIEISA-N 304.354 -0.129 30 20 DBED CN(CCNC(=O)C[C@@H]1CCC(=O)NC1)c1ccnc(C#N)n1 1100182795 SODBBKLNEMLRLL-NSHDSACASA-N 316.365 -0.183 30 20 DBED N#CCNC(=O)CNC1CC(CNC(=O)CC2CCOCC2)C1 1100203165 DENBNZUJDOPWPN-UHFFFAOYSA-N 322.409 -0.073 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)c2nccn2CC)C1 1100280278 CEAQDAHTPGFFHG-UHFFFAOYSA-N 317.393 -0.250 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1CC(NCC(=O)NCC#N)C1 1100285453 JHBFZNVYIXKAJK-QOZQQMKHSA-N 308.382 -0.562 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)Cc2ccn(C)n2)C1 1100315919 LSCUNCOXYQLYNT-UHFFFAOYSA-N 317.393 -0.804 30 20 DBED CC[C@@H](CNC(=O)Cn1nccn1)Nc1cnc(C#N)cn1 1103213979 HEIHRSWXACOLRI-JTQLQIEISA-N 300.326 -0.053 30 20 DBED C[C@H](CNC(=O)[C@H]1COCCN1C)CNc1cncc(C#N)n1 1103922345 ACBBZWHPUDWBEZ-WCQYABFASA-N 318.381 -0.157 30 20 DBED C=CCCNCc1cn(C2CN(C(=O)CNC(=O)OC)C2)nn1 1105174321 WBQHSTJJQHEJTR-UHFFFAOYSA-N 322.369 -0.317 30 20 DBED CN(CCN(C)c1cnc(C#N)cn1)C(=O)[C@H]1CCC(=O)NC1 1105600003 XOVKLZZKLODTKE-NSHDSACASA-N 316.365 -0.231 30 20 DBED N#Cc1cccnc1NC[C@@H](O)CNC(=O)CCn1cncn1 1105758518 SPAHJXKMXWQYBD-LBPRGKRZSA-N 315.337 -0.476 30 20 DBED C[C@H](C(=O)NC[C@@H](O)CNc1ncccc1C#N)n1cncn1 1105828263 CEHIUVVHLXFWTF-PWSUYJOCSA-N 315.337 -0.305 30 20 DBED COC[C@@H](OC)C(=O)NC[C@H](O)CNc1ncccc1C#N 1106088176 ZXQYRYZXZRSYCZ-VXGBXAGGSA-N 308.338 -0.496 30 20 DBED C[C@H](CCNc1cncc(C#N)n1)NC(=O)CS(C)(=O)=O 1106239302 PHEVIAXFCQZEPZ-SECBINFHSA-N 311.367 -0.300 30 20 DBED C[C@H](CCNc1cnc(C#N)cn1)NC(=O)[C@@H]1CCC(=O)N1 1106393516 QQWBVBHMSFAZEO-KOLCDFICSA-N 302.338 -0.066 30 20 DBED C=C(C)CN1CC(n2cc(CNC(=O)COCCOC)nn2)C1 1107149292 AJIRFAAESCQSCC-UHFFFAOYSA-N 323.397 -0.010 30 20 DBED C[C@@H](CNc1ccc(C#N)nn1)NC(=O)C1CC(=O)NC(=O)C1 1108441877 VVLIGJSRJIWREG-QMMMGPOBSA-N 316.321 -0.682 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)CCCC(C)=O)CC2=O)C1 1108506839 AXGWUTHREFHXEE-CYBMUJFWSA-N 305.378 -0.220 30 20 DBED N#Cc1cccnc1N1C[C@H]2C[C@H]1[C@H]2NC(=O)CNC(N)=O 1109679797 NJSPCAWZRLNHND-SCVCMEIPSA-N 300.322 -0.685 30 20 DBED N#Cc1cnc(NC[C@H](NC(=O)[C@H]2CCNC2=O)C2CC2)cn1 1109945271 DZUKPJMAJJHNJS-RYUDHWBXSA-N 314.349 -0.209 30 20 DBED N#Cc1cncc(NC2(CNC(=O)C3(C(N)=O)CC3)CC2)n1 1110323612 YNTUGLXXBKLDMV-UHFFFAOYSA-N 300.322 -0.326 30 20 DBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1ccon1 1110331136 JJNMNBTZJRAYSR-JLLWLGSASA-N 303.322 -0.351 30 20 DBED C=CCNC(=O)CN1C[C@@H]2CCC[C@]2(NC(=O)c2cnn[nH]2)C1 1111795897 KINUHEAPPCNBRS-NHYWBVRUSA-N 318.381 -0.309 30 20 DBED C[C@H]1CN(c2cncc(C#N)n2)CC[C@@H]1NC(=O)CNC(N)=O 1112392457 HATGFLKQMHRNDH-ONGXEEELSA-N 317.353 -0.652 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)CCn2cccn2)CC1 1112613023 BZYWLOUZRMCAPQ-AWEZNQCLSA-N 317.393 -0.445 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCN(CCN2C(=O)CNC2=O)CC1 1112814987 ZZDGUQHKLACPON-OAHLLOKOSA-N 324.381 -0.991 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)c2n[nH]cc2C)CC1 1112827855 ABJLRSXBAWFIJO-GFCCVEGCSA-N 303.366 -0.386 30 20 DBED CC1(C)CCN(CC(=O)N2CCN(CC(=O)NCC#N)CC2)C1 1113348192 BPFFTRIVWVEDCT-UHFFFAOYSA-N 321.425 -0.498 30 20 DBED C[C@@H](CNC(=O)CCNC(N)=O)N(C)c1ncccc1C#N 1113609338 IJWMAPIKEGUORD-JTQLQIEISA-N 304.354 -0.047 30 20 DBED C[C@H](CNC(=O)[C@@H]1CCCNC1=O)N(C)c1cncc(C#N)n1 1113744499 OYRGWKSKUUHPMH-ZYHUDNBSSA-N 316.365 -0.185 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)N(C)c1ccc(C#N)nn1 1113802065 GTAYWVZWCSJGHE-ONGXEEELSA-N 317.353 -0.687 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CN(c2ccnc(C#N)n2)CC[C@@H]1C 1114011563 RXUPDXZTRHLUGF-WDEREUQCSA-N 316.365 -0.185 30 20 DBED C=C(C)CN1C[C@@H]2C(NC(=O)CCNS(C)(=O)=O)[C@H]2C1 1114361026 HWZXILVGQOZHRM-QWRGUYRKSA-N 301.412 -0.452 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)[C@H](CC(C)C)OC)[C@@H]2C1 1114803045 FOIOHHMIDHFALP-MCIONIFRSA-N 321.421 -0.157 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)COC[C@H]3CCOC3)[C@H]2C1 1114912979 PTOFSBWVWOFVPI-LJIGWXMPSA-N 322.405 -0.264 30 20 DBED C[C@@H](CCCNc1nccnc1C#N)NC(=O)[C@@H]1CNC(=O)N1 1115062462 TURSLFAQTAIUKE-ONGXEEELSA-N 317.353 -0.274 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)C(=O)N3CC[C@H](C)C3)[C@H]2C1 1115088128 FZXDRCHGAIBUTM-BYNSBNAKSA-N 319.405 -0.449 30 20 DBED N#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3cc(Cl)no3)[C@H]2C1 1115150473 XFDPFGZOIJYYOO-JDICNCQASA-N 323.740 -0.372 30 20 DBED C=C(C)CN1C[C@H]2[C@H](NC(=O)CCCN3C(=O)CNC3=O)[C@H]2C1 1115219241 UJESHOGPKPJKIU-JYAVWHMHSA-N 320.393 -0.059 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)COC[C@@H]3CCCO3)[C@H]2C1 1115354124 IYLIMSSZQSZTMC-LJIGWXMPSA-N 322.405 -0.122 30 20 DBED C[C@@H](CN(C)C(=O)[C@@H]1CN(C)CCO1)N=c1cc[nH]c(C#N)n1 1115664222 LLOJAAYNXOXFJY-RYUDHWBXSA-N 318.381 -0.640 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@@H]1CCSC1 1117297111 FEDRXMRFHJWECR-SECBINFHSA-N 306.409 -0.675 30 20 DBED Cc1ccc(CNC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)nc1 1118231246 INKZSSAPGMUDEL-HNNXBMFYSA-N 302.334 -0.117 30 20 DBED C=CCN(C(=O)C(=O)NCc1cnnn1CC)[C@H](C)COC 1119147358 QYWFCEKROBJWHY-LLVKDONJSA-N 309.370 -0.036 30 20 DBED C[C@H](CNC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1)C(=O)O 1119294032 KRPRCARGBPBGBV-KOLCDFICSA-N 308.338 -0.978 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)NOCC(C)C)CC1 1120039902 NKZIHLUPZTULMY-UHFFFAOYSA-N 318.399 -0.631 30 20 DBED C[C@@H](CN(C)C(=O)C1CS(=O)(=O)C1)Nc1nccnc1C#N 1120124696 VVZYOBOPHYDHMF-VIFPVBQESA-N 323.378 -0.348 30 20 DBED C=C(C)CCC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1120623336 SUEQSRGLZDUMFC-UHFFFAOYSA-N 323.393 -0.128 30 20 DBED Cc1cnn(CC(=O)NC[C@H](CO)Nc2cnc(C#N)cn2)c1 1121156274 ATLSRAZLOQFYGP-GFCCVEGCSA-N 315.337 -0.558 30 20 DBED CCCC(=O)NCC(=O)NC[C@@H](CO)Nc1cnc(C#N)cn1 1121160020 WYDIIPXYAQCTIY-NSHDSACASA-N 320.353 -0.846 30 20 DBED C=CCn1c([C@@H](C)O)nnc1N1C[C@H]2C(=O)N(C)C(=O)[C@H]2C1 1121630099 HUOHKHWZGHNMKS-BBBLOLIVSA-N 305.338 -0.432 30 20 DBED CN(C)C1(C(=O)NC[C@@H](CO)Nc2cnc(C#N)cn2)CCC1 1122190474 QEAYUBGHRBFZEK-LBPRGKRZSA-N 318.381 -0.278 30 20 DBED Cc1cc(C#N)nc(N[C@H](CO)CNC(=O)[C@]2(F)CCOC2)n1 1122410649 IWKZLMWZAOHWNG-FZMZJTMJSA-N 323.328 -0.326 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](CO)Nc1nccc(OC)n1 1122584442 HYTZBFCRGNYAQS-TUAOUCFPSA-N 322.365 -0.035 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)[C@H]1C[C@@H]1OCC 1124141523 VTJJNWWWJLNVJP-QWRGUYRKSA-N 312.370 -0.871 30 20 DBED CO[C@@H](C)C(=O)NCCNCC(=O)NCC#Cc1ccccc1 1124273685 SCJRUVXFRAXGGX-AWEZNQCLSA-N 317.389 -0.105 30 20 DBED CN(C[C@H](O)CN(C)c1nccnc1C#N)C(=O)c1cnon1 1125139131 FHADNYPYMJKSHZ-SECBINFHSA-N 317.309 -0.699 30 20 DBED C=CCOCCCC(=O)NCCNCC(=O)NC(=O)NC 1125247729 GFNQITUKKWNERB-UHFFFAOYSA-N 300.359 -0.869 30 20 DBED CNC(=O)CC(=O)N(C)C1CC(Nc2cncc(C#N)n2)C1 1126896834 UREIVUISYVEERJ-UHFFFAOYSA-N 302.338 -0.114 30 20 DBED CC#CCN[C@@H]1CN(C(=O)CC(C)(C)O)C[C@@H]1n1ccnn1 1129791374 BCDHZEPNTAWCBM-OLZOCXBDSA-N 305.382 -0.196 30 20 DBED CNC(=O)CN[C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](C)C#N)CC1 1131451334 LIIPEQWOERWANE-KYOSRNDESA-N 322.409 -0.122 30 20 DBED C[C@H]1CC[C@@H](NC(=O)CCCn2c(O)nnc2O)CN1CC#N 1132140415 IHGPVSIRMADXDN-WDEREUQCSA-N 322.369 -0.038 30 20 DBED C[C@H]1CC[C@H](NC(=O)CCCN2C(=O)CNC2=O)CN1CC#N 1132478728 NREYBOLYRGXCJI-RYUDHWBXSA-N 321.381 -0.189 30 20 DBED COCC#CCNC[C@H]1CN(C(=O)Cn2cnnn2)CC[C@@H]1C 1132618323 SXSBCYDVHKHUIU-KBPBESRZSA-N 320.397 -0.603 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)[C@@H]1C[C@@H]2C[C@@H]2C1 1132682049 JCOWXWFYIUEDKE-GDNZZTSVSA-N 308.382 -0.250 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@@H](C)OCc1ccncc1 1134025203 QFVQMRKSYFHIHF-CYBMUJFWSA-N 318.377 -0.558 30 20 DBED C=CCNC(=O)CN1CCC2(C1)CN(C(=O)c1ccnn1C)C2 1147117476 UEWXTOQRQAAGOQ-UHFFFAOYSA-N 317.393 -0.130 30 20 DBED COCC#CCN1CCC2(C1)CN(C(=O)[C@H]1CCCNC1=O)C2 1147747800 GRRZFCHBFZSBPJ-AWEZNQCLSA-N 319.405 -0.303 30 20 DBED COCC#CCN1CCCO[C@@H](CNC(=O)c2cnn(C)n2)C1 1150434837 DREHTKWHOATCML-ZDUSSCGKSA-N 321.381 -0.714 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)Cc1cnn(C)c1 1152297634 OWZBQTBPLJGPRJ-CYBMUJFWSA-N 319.409 -0.461 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CCCCN1CC 1152458620 RRZIALYABGTWGT-KGLIPLIRSA-N 308.426 -0.296 30 20 DBED N#Cc1ccc(F)c(CNCCCNC(=O)Cn2ncnn2)c1 1158162837 BRHIRENMEWCVRY-UHFFFAOYSA-N 317.328 -0.020 30 20 DBED C[C@H](C#N)C(=O)NCCC1(CNCCN2C(=O)CNC2=O)CC1 1163831391 VBDMDVGBYGCPCG-LLVKDONJSA-N 321.381 -0.426 30 20 DBED C=CCNC(=O)CNCCCNC(=O)c1c(C)nn(C)c1OC 1167491319 JEZIWRXQEOPIGS-UHFFFAOYSA-N 323.397 -0.251 30 20 DBED CCS(=O)(=O)N(C)CC(=O)NCCC1(CNCC#N)CC1 1167569752 KNRIVFXUOOWVCG-UHFFFAOYSA-N 316.427 -0.332 30 20 DBED C=CCn1cc(C(=O)NCCCNCc2cnn(CC)n2)nn1 1167838722 KYPMDFASIHSOGH-UHFFFAOYSA-N 318.385 -0.015 30 20 DBED C#CCOc1ncccc1C(=O)NCCCN[C@H](C)C(=O)NC 1171548664 BSVMAUIOZXXZCO-GFCCVEGCSA-N 318.377 -0.062 30 20 DBED C#CCOCCC(=O)N1C[C@H]2CC[C@H]1[C@@H](CNCC(N)=O)C2 1177753382 UXUJTWLNSBNCNH-MJBXVCDLSA-N 307.394 -0.272 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)CC(=O)NCC)[C@H]1C 1178519707 GEPIHKKVEDPAQJ-RYUDHWBXSA-N 310.398 -0.606 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCCCCNC(=O)c1cnn[nH]1 1178933072 RECPWVMOEIPVPD-GFCCVEGCSA-N 320.397 -0.178 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](C)[C@](C)(CNC[C@@H](C)O)C1 1181192900 GGQOTTQAGZIJBM-XJKCOSOUSA-N 309.410 -0.419 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2cncc(F)c2)C1 1181944070 HLMASGMLBGBNHA-CYBMUJFWSA-N 304.325 -0.226 30 20 DBED COCCCNC(=O)CN1C[C@@H]2CCN(C(=O)[C@@H](C)C#N)[C@@H]2C1 1187312274 UFCDNLPIZJQETO-MELADBBJSA-N 322.409 -0.169 30 20 DBED CCOCCNC(=O)CN(C)[C@H]1CCN(C(=O)[C@@H](C)C#N)C1 1189391134 VWUNLRTUJFLUBI-STQMWFEESA-N 310.398 -0.169 30 20 DBED CN(CC(=O)NCC#N)[C@@H]1CCN(C(=O)CC[C@H]2CCOC2)C1 1189592692 BABKZUFGBSPDIT-UONOGXRCSA-N 322.409 -0.024 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)c2cnnc(C)c2)C1 1192437660 GUHXWDDIPAACCE-ZIAGYGMSSA-N 306.366 -0.237 30 20 DBED C[C@@H](CC(=O)N[C@@H]1CN(CC#N)C[C@H]1O)N1CCCCC1=O 1192944960 WLOMTQNZKBMUTD-YNEHKIRRSA-N 308.382 -0.538 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@H]1CCN(C(=O)CN(C)C(C)C)C1 1194293681 ILBOKCQLLKIWIT-GJZGRUSLSA-N 322.453 -0.003 30 20 DBED C=CCCCN1C[C@@H](O)[C@H](NC(=O)CCN2C(=O)CCC2=O)C1 1194524024 RQJVCMAZBVQDGC-CHWSQXEVSA-N 323.393 -0.347 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)COCc2nc(CC)no2)C1 1197673987 OHOPYFKYBIXVCW-VXGBXAGGSA-N 322.365 -0.667 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCCOC2)C1 1198705921 AYIDRXYLIGDRKW-RRFJBIMHSA-N 310.394 -0.386 30 20 DBED C=C(Cl)CNC[C@H]1CN(C(=O)CS(C)(=O)=O)CCCO1 1199998815 MWEDMIQNPAUKFL-NSHDSACASA-N 324.830 -0.009 30 20 DBED C#CCCNC[C@H]1CN(C(=O)CCc2nc[nH]n2)CCCO1 1200207385 SSUVYTYFNRSDFE-ZDUSSCGKSA-N 305.382 -0.032 30 20 DBED C#CCNC[C@H]1CN(C(=O)COc2cnn(C)c2)CCCO1 1201251669 CLGXNOXOCCYVFD-ZDUSSCGKSA-N 306.366 -0.361 30 20 DBED C=CCn1cc(C(=O)N2CCCO[C@H](CNCCCO)C2)nn1 1201585020 LWMAFLCTUUVYMW-CYBMUJFWSA-N 323.397 -0.333 30 20 DBED CCC[C@H](C(=O)N1CCC(NCC#N)CC1)S(N)(=O)=O 1201808560 BXQJWUKRARQQSC-LLVKDONJSA-N 302.400 -0.452 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)[C@H]2CN(CC)CCO2)CCCO1 1202109276 OCZGPPLGHCAVOW-HZPDHXFCSA-N 323.437 -0.063 30 20 DBED CC#CCNC1CCN(C(=O)[C@@H]2COCCN2C(C)=O)CC1 1203782523 UKQFYTGBSWGPMC-HNNXBMFYSA-N 307.394 -0.162 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@@H](NCc2n[nH]c(C)n2)C1 1207871808 CCWGFPKJFICSSK-GFCCVEGCSA-N 318.381 -0.667 30 20 DBED C#CCOCCC(=O)N1CCC[C@@H](N[C@H]2CCN(C)C2=O)C1 1208029488 XKPJYXWSVZTVPG-KGLIPLIRSA-N 307.394 -0.162 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)COCC(F)F 1208081734 TVKLKUXWXFFDEG-NXEZZACHSA-N 318.324 -0.656 30 20 DBED CCC(=O)N[C@@H](C)C(=O)N1CCC[C@@H](NCC(=O)NCC#N)C1 1208121966 TXTFJKDPWIUEGM-NWDGAFQWSA-N 323.397 -0.879 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)Cc2cnoc2)[C@H](C)C1 1208396080 NGLFXPOXAIJQHJ-MBNYWOFBSA-N 318.377 -0.209 30 20 DBED COCC#CCN[C@H]1CCCN(C(=O)c2nnc(O)nc2O)C1 1208497516 CEJRQVSCDAUNDL-JTQLQIEISA-N 321.337 -0.873 30 20 DBED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)CC(C)(F)F 1213393166 ZASSQLFFVXPOPU-NXEZZACHSA-N 318.324 -0.513 30 20 DBED C=C(Cl)CN1C[C@@H](NC(=O)CS(=O)(=O)CC)[C@H](OC)C1 1213922298 ZCRFUNVWJNPLMQ-GHMZBOCLSA-N 324.830 -0.011 30 20 DBED N#CCSCC(=O)N[C@@H]1CN(Cc2cccnc2)C[C@@H]1O 1219219966 VRALVBMEYIOAQH-OLZOCXBDSA-N 306.391 0.000 30 20 DBED COc1ncc(CN2C[C@H](O)[C@H](NC(=O)[C@H](C)C#N)C2)c(C)n1 1219379081 NCLVSQWWMIDCEQ-WQAKAFBOSA-N 319.365 -0.385 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(CC(=O)NCC2CC2)C[C@@H]1O 1219581703 SJAZPWRMTHYIPH-KGLIPLIRSA-N 307.394 -0.667 30 20 DBED C=C(C)C[C@H](C)C(=O)N[C@@H]1CN(CC(=O)N2CCC2)C[C@@H]1O 1220190737 WXVMJILEGAOHNG-MJBXVCDLSA-N 309.410 -0.018 30 20 DBED COCCOc1cncc(C(=O)N[C@@H]2CN(CC#N)C[C@@H]2O)c1 1220653195 CEXDFPSLISYKOU-KGLIPLIRSA-N 320.349 -0.595 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)c2c[nH]c(C(N)=O)c2)C1 1220981546 WTJQAWKLAIPBDJ-OLZOCXBDSA-N 322.365 -0.909 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)Cn2cccn2)CC1 1226027931 ADTJARGMYSJFQE-UHFFFAOYSA-N 303.366 -0.787 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)CC2OCCCO2)CC1 1227023869 NJJHJLZVTTYEPN-UHFFFAOYSA-N 323.393 -0.531 30 20 DBED C#CCN[C@@H]1CCCC[C@H]1NC(=O)CCc1nnc(O)nc1O 1227268785 ITRUUASKZZZDDW-GHMZBOCLSA-N 319.365 -0.134 30 20 DBED C=CCNC(=O)[C@@H](C)N(C)CCCNC(=O)CN(C)C(C)=O 1234181517 VSXNJYTXWDZCJW-GFCCVEGCSA-N 312.414 -0.407 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@H]1CN(C)C(=O)C(C)(C)C(N)=O 1235588462 IQUSBIGHYORQJD-RYUDHWBXSA-N 322.409 -0.832 30 20 DBED Cc1nc(Cn2cc(C(=O)N[C@H]3CCCN(O)C3=O)nn2)no1 1261549680 ATPDEZMVNBTGIK-QMMMGPOBSA-N 321.297 -0.872 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC2(CC1)CN(C[C@H](O)COC)C2 1268043869 RQKTWHINXUFBQL-CABCVRRESA-N 324.421 -0.044 30 20 DBED C=CCNC(=O)NC(=O)CN1CC[C@H](NC(=O)[C@@H]2CCOC2)C1 1316970489 DSBAORDQOYYMME-NEPJUHHUSA-N 324.381 -0.775 30 20 DBED COCCO[C@H]1COCC[C@@H]1NC(=O)Cn1cnc(C#N)n1 1320461650 QQDLIYHHPOMERV-QWRGUYRKSA-N 309.326 -0.914 30 20 DBED C#CC1CCN(C(=O)C(=O)NCc2nnnn2C2CC2)CC1 1326138403 IZLHBYCUGWSACW-UHFFFAOYSA-N 302.338 -0.504 30 20 DBED C=CCn1cc(C(=O)NC2CCN(S(C)(=O)=O)CC2)nn1 1326359792 WBFXELXAKANECZ-UHFFFAOYSA-N 313.383 -0.382 30 20 DBED C/N=C(/NCCN1CCOCC1)NCc1nc2ncccn2n1 1326950189 XKJHRZMPJSORMS-UHFFFAOYSA-N 318.385 -0.879 30 20 DBED COCC#CC(=O)N1CCN(c2nccn3cnnc23)[C@H](C)C1 1329199061 HBFIPWCSYAYBAS-GFCCVEGCSA-N 314.349 -0.189 30 20 DBED C=CCOC[C@@H](NC1CCN(S(C)(=O)=O)CC1)C(=O)O 1331934220 LKLCJYASDJXKPZ-LLVKDONJSA-N 306.384 -0.344 30 20 DBED N#CC[C@@H]1CCCN(C(=O)C(=O)N2CCOC[C@H]2CCO)C1 1335185620 CHGLFHVZWCEYTK-QWHCGFSZSA-N 309.366 -0.252 30 20 DBED O=C1C=CC=N/C1=C(\O)NCCN1C(=O)CN(C2CC2)C1=O 1341230434 UJCMRBHMOKWPGM-SEYXRHQNSA-N 304.306 -0.061 30 20 DBED C=CCC1(O)CCN(C(=O)C(=O)N(C)[C@@H]2CCNC2=O)CC1 1345572131 DYRUSGIQSGAFPD-LLVKDONJSA-N 309.366 -0.737 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)N[C@@H]2CCN3CCCC[C@H]23)C1 1349190596 WVQSYMBFTWLAMY-IOASZLSFSA-N 320.393 -0.394 30 20 DBED CN(C[C@@H]1CCCCO1)C(=O)Cn1cc(C#N)c(O)nc1=O 1361673710 KFJXIWUMDSANPP-NSHDSACASA-N 306.322 -0.152 30 20 DBED COC(=O)c1ccc(CNc2[nH]c(=O)n(C)c(=O)c2C#N)o1 1364176701 ZNWXOEOPVWWDFW-UHFFFAOYSA-N 304.262 -0.063 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)[C@@H]2CCCS2(=O)=O)CC1 1379081427 LDDOJUMMMFAQQH-ZJUUUORDSA-N 313.379 -0.512 30 20 DBED CNC(=O)NCC(=O)N(C)[C@@H](C)CNC(=O)c1cc(C#N)c[nH]1 1380678518 INWGSOQXTCYMQO-VIFPVBQESA-N 320.353 -0.608 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@@H](O)CNC(=O)C2CCOCC2)c1 1389037219 KINGWZBECVSNOW-LBPRGKRZSA-N 320.349 -0.480 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CCN(C(=O)c2cccn3nnnc23)C1 1407565613 ZVYWOMSQOGODJX-VHSXEESVSA-N 313.321 -0.385 30 20 DBED CC(=O)N1CC(C(=O)NC[C@H](NC(=O)[C@H](C)C#N)C2CC2)C1 1407600871 BYFORACYWMNEBP-RNCFNFMXSA-N 306.366 -0.365 30 20 DBED CC(C)CS(=O)(=O)CC(=O)NCCN(C)C(=O)[C@H](C)C#N 1408619050 UQXQYMJLFKHBLU-LLVKDONJSA-N 317.411 -0.209 30 20 DBED CC(C)[C@@H](CN(C)C)NC(=O)CCn1cc(C#N)c(O)nc1=O 1412299426 PXQJMCYYRSSPOH-GFCCVEGCSA-N 321.381 -0.087 30 20 DBED Cc1cn(C)nc1C(=O)NCCn1cc(C#N)c(O)nc1=O 1412372692 LDESGTOPOHSEAV-UHFFFAOYSA-N 302.294 -0.708 30 20 DBED CCN(CCNC(=O)[C@H](C)C#N)C(=O)CCn1ncn(C)c1=O 1429679979 GTQQGQCQAJBNAX-LLVKDONJSA-N 322.369 -0.904 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@H](NCC(=O)NC[C@@H]2CCCO2)C1 1436885565 JCMMTQSCNZIVIG-LPWJVIDDSA-N 308.382 -0.322 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H](C)CNC(=O)C(C)(C)S(C)(=O)=O 1442964423 RPBUZMBETROKLY-NXEZZACHSA-N 317.411 -0.068 30 20 DBED CNS(=O)(=O)CCC(=O)NCC[C@@H](C)NC(=O)[C@H](C)C#N 1448518475 JZKZDLGPGVLJID-NXEZZACHSA-N 318.399 -0.904 30 20 DBED C[C@H](C(=O)N(CC(N)=O)C1CCOCC1)n1cnc(C#N)n1 1455256711 GDUGQPDJXPDAPD-SECBINFHSA-N 306.326 -0.796 30 20 DBED CN(CCNC(=O)c1cc(C#N)c[nH]1)Cc1nc(=O)n(C)[nH]1 1492223664 REUQOWNGJXQAGH-UHFFFAOYSA-N 303.326 -0.830 30 20 DBED CC(F)(F)C(=O)NC[C@H](O)CNC(=O)c1cc(C#N)c[nH]1 1533148951 QBCCCXGFBOZEGP-MRVPVSSYSA-N 300.265 -0.252 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](C)CN(C)c1nccnc1-c1nn[nH]n1 1574823113 BGHHNQBMLOFNMU-DTWKUNHWSA-N 315.341 -0.243 30 20 DBED C=CCCC(=O)N(C)C1CN([C@H](C)C(=O)NCc2cnn[nH]2)C1 1575085719 MEEXYHCWARDVHS-LLVKDONJSA-N 320.397 -0.082 30 20 DBED CN(C)C(=O)NCCN(C)c1cnc(-c2nn[nH]n2)c(C#N)n1 1578961101 UHMOXFSNRKYTLU-UHFFFAOYSA-N 316.329 -0.764 30 20 DBED C#CCN(CC(=O)O)C(=O)[C@H](NC(=O)C1CCCC1)[C@H](C)O 1588397594 MZEZDIJRIAZLAN-GXFFZTMASA-N 310.350 -0.411 30 20 DBED C#CCNC(=O)C1CCN(C(=O)NCCOCC(=O)O)CC1 1588431505 ZJIZKEJZMRTCHS-UHFFFAOYSA-N 311.338 -0.741 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)[C@H]1C[C@@H]1C(=O)O 1590926921 LQUJWOZDPXEVAB-RYUDHWBXSA-N 310.350 -0.696 30 20 DBED COC(=O)CNC(=O)[C@@H](C#N)Cc1ccc(-c2nn[nH]n2)cc1 1591267923 NJPPGZNEDDFBMR-LLVKDONJSA-N 314.305 -0.162 30 20 DBED Cc1nc(-c2nn[nH]n2)c(C#N)n1Cc1nnc2c(=O)[nH]ccn12 1592336163 SQJJAFJBZQDBOB-UHFFFAOYSA-N 323.280 -0.977 30 20 DBED N#C[C@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NCc1nc[nH]n1 1592667118 UVIXWPZFECEYQO-NSHDSACASA-N 323.320 -0.017 30 20 DBED N#Cc1cc(CNC(=O)CN2CCC[C@H](C(=O)O)C2=O)ccn1 1601088094 OBNHATVYLMIIKK-LBPRGKRZSA-N 316.317 -0.107 30 20 DBED N#Cc1cccc(NC(=O)C(=O)N2CCC[C@@H](O)[C@H]2C(=O)O)c1 1601122561 QAYFXFGIAAEENP-NEPJUHHUSA-N 317.301 -0.067 30 20 DBED C#CCOCCC(=O)N(CCN1CCN(C)CC1)CC(=O)O 1602728179 MAKNAQQXAMTGET-UHFFFAOYSA-N 311.382 -0.813 30 20 DBED C=CCOC[C@@H](NC(=O)CCCN1C(=O)CNC1=O)C(=O)O 1602910414 YOYXZBIRRABJLW-SECBINFHSA-N 313.310 -0.910 30 20 DBED CC[C@](C)(C#N)C(=O)NC[C@]1(C(=O)O)C[C@@H]1S(C)(=O)=O 1604887202 CMKSWMGXFAWZGS-XXILOJSOSA-N 302.352 -0.070 30 20 DBED COCC[C@](C)(C#N)NC(=O)[C@@H](C)n1cnc(-c2nn[nH]n2)n1 1605075147 WTXYXARQJSBILU-PRHODGIISA-N 319.329 -0.546 30 20 DBED Cn1ncc2c(O)nc(Cn3cnc(-c4nn[nH]n4)c3C#N)nc21 1606276866 AVBPEAXPDOTJAY-UHFFFAOYSA-N 323.280 -0.635 30 20 DBED CCOCCNC(=O)CNC[C@H]1CCCN1C(=O)[C@@H](C)C#N 1671281210 SADHLVOEIHOPNM-QWHCGFSZSA-N 310.398 -0.121 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@H](NCc1nc(O)n[nH]1)C1CC1 1752461224 XVFMEKOMVZSSBU-YGRLFVJLSA-N 309.370 -0.178 30 20 DBED C#CCN[C@H](CNC(=O)CCC(=O)N1CCOCC1)C1CC1 1752493211 AGIMIXCVOCFWFU-CQSZACIVSA-N 307.394 -0.257 30 20 DBED CC(C)[C@@H]1C[C@@H]1C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1752846167 QCBBNURPHROTRS-XOBFJNJYSA-N 304.394 -0.035 30 20 DBED N#CCNCCNC(=O)[C@H]1CCCN(C(=O)[C@H]2CCCO2)C1 1752923689 FYEJSTWEDUXDKH-QWHCGFSZSA-N 308.382 -0.367 30 20 DBED N#CCNCCNC(=O)[C@@H]1CCCN(C(=O)CN2CCCC2)C1 1752927251 RQAAZEZILYEUOF-CQSZACIVSA-N 321.425 -0.450 30 20 DBED C=C(C)CCC(=O)NCCN(CC)CC(=O)N1CCNC(=O)C1 1753083197 ZURBQBMFYQPGHM-UHFFFAOYSA-N 324.425 -0.261 30 20 DBED COC[C@H](C)CC(=O)NC[C@@H]1CCCN1CC(=O)NCC#N 1753115522 XVPKHVUDLLIXMM-OLZOCXBDSA-N 310.398 -0.121 30 20 DBED C#CCCN(CCC)CCNC(=O)CN1C(=O)C(=O)N(C)C1=O 1753148704 OBNDBQKFJZXLBU-UHFFFAOYSA-N 322.365 -0.742 30 20 DBED C=CCN1CCN(CCN(C)C(=O)C[C@@H]2CCNC2=O)CC1 1753341718 CWTADIQNURXOTI-AWEZNQCLSA-N 308.426 -0.225 30 20 DBED CO[C@@H](C(=O)NC[C@@H]1CN(CC#N)CCO1)c1cnn(C)c1 1753651538 OZADTUGWZKMUIA-CHWSQXEVSA-N 307.354 -0.552 30 20 DBED C=CCCCNC[C@@H](O)CNC(=O)c1cn(C)c(=O)nc1O 1753936660 BQHZXCSFNMGGMI-SNVBAGLBSA-N 310.354 -0.868 30 20 DBED C=CCNC(=O)CN(C)C[C@@H](C)NC(=O)CN1CCOCC1 1754305320 QGMQZNBMVZLGDO-CYBMUJFWSA-N 312.414 -0.943 30 20 DBED C=CCNC(=O)CN1C[C@H]2C[C@H]1[C@@H]2NC(=O)CSCC#N 1754421140 ZBEMBDVUUJCEDU-UHIISALHSA-N 308.407 -0.266 30 20 DBED COCC#CCN1CC[C@H]1CNC(=O)c1cc(OC)n(C)n1 1754489388 WTDDSMAGBMHEHZ-LBPRGKRZSA-N 306.366 -0.117 30 20 DBED C=CCNC(=O)CN1CC(N(C)C(=O)c2nccc(C)n2)C1 1754574385 QTOZQFGSYXSONI-UHFFFAOYSA-N 303.366 -0.157 30 20 DBED C=CCNC(=O)CN1CC[C@](O)(CNC(=O)[C@@H]2CCCO2)C1 1754747046 DUOFTNWBYTXQED-WFASDCNBSA-N 311.382 -0.979 30 20 DBED C#Cc1cncc(C(=O)N(CCO)CCNCC#CCOC)c1 1754891805 YMRPNYDBETYSRV-UHFFFAOYSA-N 315.373 -0.263 30 20 DBED COCC#CCN1CCC2(CC1)CN(C(=O)Cc1nc[nH]n1)C2 1754962688 LAMLITPCXAAVTI-UHFFFAOYSA-N 317.393 -0.079 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@@H]1C 1755109563 CALPOENZMZAJBW-WDEREUQCSA-N 310.398 -0.763 30 20 DBED C#CCNC(=O)CN(C)[C@@H](C)CNC(=O)c1cncc(OC)n1 1755318616 BWCMIGJNEOUWNO-NSHDSACASA-N 319.365 -0.715 30 20 DBED C=CCOCC(=O)NC1(CCO)CN(Cc2cc(C)n(C)n2)C1 1755330188 JYKKOHHAKINHEC-UHFFFAOYSA-N 322.409 -0.016 30 20 DBED C[C@H](NC(=O)CSCC#N)C1CN(CC(=O)NC2CC2)C1 1755371506 XUNCDAXPVWBUDQ-JTQLQIEISA-N 310.423 -0.042 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)[C@H](C)NC(=O)CC)C2)C1 1755402505 UWMJEEQJUVLOQI-BBRMVZONSA-N 307.394 -0.162 30 20 DBED C=CCCOCC(=O)NCC1[C@@H]2CN([C@H]3CCNC3=O)C[C@@H]12 1755435201 BXVVWOXBFYKYFD-IHRRRGAJSA-N 307.394 -0.238 30 20 DBED C#CCN[C@@H](C)CN(C)C(=O)C[C@]1(C)CCS(=O)(=O)N1 1755613805 HJMPIRRWFMXBLX-AAEUAGOBSA-N 301.412 -0.472 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C[C@H](O)CNCc1cc(C)n(C)n1 1755779633 NLNHFWNATLTRJR-DZGCQCFKSA-N 322.409 -0.324 30 20 DBED CCn1ncc(C(=O)NCCOCCN(C)C(=O)[C@H](C)C#N)n1 1756373587 HRBYXWGFLSILOJ-LLVKDONJSA-N 322.369 -0.338 30 20 DBED N#Cc1cc(C(=O)N[C@H](CO)CNC(=O)C#CC2CC2)c[nH]1 1756519043 AQEMDNICKCMTNC-ZDUSSCGKSA-N 300.318 -0.493 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(C(=O)c2cc[nH]c2C)C[C@H]1O 1756992449 YXNAOKNFXHJRRD-XJKCOSOUSA-N 321.377 -0.048 30 20 DBED C=CCCC(=O)N[C@@H]1CN(C(=O)Cc2ccnn2C)C[C@@H]1O 1757161347 YXBAZUCUONRUEO-OLZOCXBDSA-N 306.366 -0.383 30 20 DBED NS(=O)(=O)CCNN=Cc1c(C(=O)O)ccc2c1OCO2 1776046860 LDWWDODGVZXGHS-UHFFFAOYSA-N 315.307 -0.675 30 20 DBED C#CCNC(=O)CNS(=O)(=O)c1cc(F)cc(C(=O)O)c1 1776134773 SFRNNAIMTBAJDH-UHFFFAOYSA-N 314.294 -0.448 30 20 DBED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)NC(=O)C=C)C2)C1 1779284548 LLOYMBWGDTXVIA-WBMJQRKESA-N 319.361 -0.860 30 20 DBED C[C@@H](CN)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1CC1)C2 1795508802 YMPYEJZPZGQIHG-ZIEJDFEHSA-N 319.405 -0.416 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cscn1)C2 1800451720 DYGLTWBEEDZCFH-QHBPRCKVSA-N 319.386 -0.092 30 20 DBED C[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc[nH]1)C2 1800983021 ZKQOLXRIVRKKBW-MWGHHZFTSA-N 324.406 -0.069 30 20 DBED CN[C@@H](CC(=O)N1CCCC12CN(C(=O)CC#N)C2)C(=O)O 1842950145 LWHWXEUGHWCSCR-JTQLQIEISA-N 308.338 -0.834 30 20 DBED C#CCN1CCN(C(=O)CNC2(C(N)=O)CCCCC2)CC1 88545496 LRPQIALIEUKVMD-UHFFFAOYSA-N 306.410 -0.458 30 20 DBED C#C[C@H](OC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)C1CC1 152572136 HKJBMKQDOQMZKW-JTQLQIEISA-N 316.317 -0.611 30 20 DBED CN1CC[C@@H](NC(=O)C(=O)Nc2ccc(F)cc2C#N)C1=O 175994700 VMCPDCVDBSEHKQ-LLVKDONJSA-N 304.281 -0.017 30 20 DBED COCCN/C(N)=N/Cc1ccc(N2CCN(C)CC2)nc1 264110363 OQWWYDROAVYVEI-UHFFFAOYSA-N 306.414 -0.116 30 20 DBED C=CCN1CCC(NC(=O)C(=O)N2CCN(CC)C(=O)C2)CC1 286616597 LPXABJUVVYJYJP-UHFFFAOYSA-N 322.409 -0.556 30 20 DBED CS(=O)(=O)C1(C/N=C(/O)N2CC(=O)N(C3CC3)C2)CC1 330030978 SJTFHWASSJYDJS-UHFFFAOYSA-N 301.368 -0.258 30 20 DBED CC(=O)N1CCN(/C(O)=N/CCN2C(=O)CN=C2O)[C@H](C)C1 330090027 PCELGFDVNPXMBR-SECBINFHSA-N 311.342 -0.791 30 20 DBED COc1cc(CNS(=O)(=O)N2CCO[C@H](C#N)C2)ccn1 336909381 HLVMCSKOALJOQS-LLVKDONJSA-N 312.351 -0.351 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)NCC1(O)CCN(C)CC1 337093531 NQVALGSPFLPTQL-LLVKDONJSA-N 304.416 -0.631 30 20 DBED CC(=O)NCC(=O)N1C[C@H](C#N)[C@@]2(C1)C(=O)Nc1ccccc12 338361348 YXQRPDNCDLVCAI-MEDUHNTESA-N 312.329 -0.005 30 20 DBED CN(C)C[C@@H](O)CNC(=O)C(=O)Nc1ccc(F)c(C#N)c1 343169567 NGGVEDLTOKPFKG-NSHDSACASA-N 308.313 -0.325 30 20 DBED C=C[C@@](C)(O)CC(=O)N(CCOC)[C@@H]1CCS(=O)(=O)C1 346351353 GIPHTZIMYITFQW-DGCLKSJQSA-N 305.396 -0.024 30 20 DBED C=CCOC[C@@H](NS(=O)(=O)Cc1ccon1)C(=O)OC 360622325 XCEYGROHNSPVSV-SNVBAGLBSA-N 304.324 -0.162 30 20 DBED COC(=O)[C@@](C)(O)CNC(=O)CNC(=O)c1ccc(C#N)cc1 362422388 KEMRNTXSNBDLNS-HNNXBMFYSA-N 319.317 -0.672 30 20 DBED N#Cc1ccc(OCCNC(=O)C(=O)N[C@H](CN)C2CC2)cc1 419462064 IWCQYSCHZXUEOJ-CQSZACIVSA-N 316.361 -0.093 30 20 DBED C=CCCS(=O)(=O)N1Cc2nnc(O)n2C[C@H]1C(=O)O 424383025 AGRCTEONZMWCQP-ZETCQYMHSA-N 302.312 -0.842 30 20 DBED C=CC[C@H](CC)NC(=O)C(=O)Nc1ccn(CC(=O)N(C)C)n1 440281417 KKZOINQUMKAUNP-NSHDSACASA-N 321.381 0.381 30 20 DBED C[C@@H](O)CN1CCN(C(=O)CNc2ccc(C#N)cn2)CC1 444392578 PJEGTEWZOIXZJC-GFCCVEGCSA-N 303.366 -0.110 30 20 DBED C#CCNC(=O)C1CCN(C(=O)NCC(=O)N2CCCC2)CC1 491698659 ICLNWKKAMFONTJ-UHFFFAOYSA-N 320.393 -0.220 30 20 DBED CCN(C[C@H](C)C#N)C(=O)CN1C(=O)N[C@@]2(CCCNC2)C1=O 563079183 DEVOWTOZPAQHKX-IAQYHMDHSA-N 321.381 -0.331 30 20 DBED N#Cc1ccc(OC[C@@H](O)CNC[C@H](O)Cn2ccnn2)cc1 566231769 UBPBQLRHPJPFQW-KBPBESRZSA-N 317.349 -0.460 30 20 DBED COC(=O)c1cc(S(=O)(=O)N2CCN(CC#N)CC2)on1 599228930 HXRDKFADRLPYDZ-UHFFFAOYSA-N 314.323 -0.709 30 20 DBED CNC(=O)c1ccc(NC(=O)NCC(=O)NCC#N)c(OC)c1 599829409 YWGHIRRXYPGIBD-UHFFFAOYSA-N 319.321 -0.184 30 20 DBED N#Cc1ccccc1OC[C@H](O)CNC[C@@H]1CC[C@H](C(N)=O)O1 600732454 ZULVZWXBUFZVJJ-VNHYZAJKSA-N 319.361 -0.080 30 20 DBED N#CCCN1CCN(C(=O)CCC(=O)N2CCOCC2)CC1 602210542 NOXZKWNVWIGOKK-UHFFFAOYSA-N 308.382 -0.317 30 20 DBED CCS(=O)(=O)NCCCNC(=O)Nc1nn(C)cc1C#N 610528052 JGRDXDRNJGKBDZ-UHFFFAOYSA-N 314.371 -0.257 30 20 DBED C=CCOCCN1C(=O)N[C@@H](CC(=O)N2CCOCC2)C1=O 645028728 XJXTZODTWQVZRS-NSHDSACASA-N 311.338 -0.642 30 20 DBED CS(=O)(=O)CCNc1cccc(S(N)(=O)=O)c1C#N 754975138 BNDGQXHWDASOJY-UHFFFAOYSA-N 303.365 -0.338 30 20 DBED C[C@H]1CC(=NC(=O)CCNS(=O)(=O)c2cccnc2)NO1 765379276 SJCYCWDDOHJMMY-VIFPVBQESA-N 312.351 -0.012 30 20 DBED C#Cc1cccc(NC(=O)CNC(=O)c2nnc(O)nc2O)c1 765472439 QVXHDDGUORLMMA-UHFFFAOYSA-N 313.273 -0.367 30 20 DBED N#C[C@H]1CN(C(=O)c2cc(S(N)(=O)=O)ccc2F)CCO1 798324050 LQFXXTNSEDSGGQ-QMMMGPOBSA-N 313.310 -0.162 30 20 DBED C#CCC[C@@H](O)CNS(=O)(=O)c1cc(C(=O)OC)n(C)c1 798488132 HPFYFIWQBCFJAZ-SNVBAGLBSA-N 314.363 -0.136 30 20 DBED C#CCN1CCN(C(=O)CN2CCC[C@H](CC(=O)O)C2)CC1 817668712 VOAPGGFLIMVLAU-CQSZACIVSA-N 307.394 -0.050 30 20 DBED C=CC[C@@H](CO)CNS(=O)(=O)c1ccc(-c2nn[nH]n2)nc1 823888162 GPIIGJKOQHYNEQ-SECBINFHSA-N 324.366 -0.275 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](OC)C(C)C)CC1 831568706 PMNLHDFRHHZOEZ-GFCCVEGCSA-N 317.411 -0.731 30 20 DBED N#C[C@@H]1CNC[C@H]1NC(=O)CCOc1ccc(C(N)=O)cc1 843459492 FIVFMDGKRYAEFN-DGCLKSJQSA-N 302.334 -0.218 30 20 DBED COC(=O)[C@H]1CC[C@@H](C(=O)OC)N(CC(=O)NCCC#N)C1 859597030 LAOCVCQWNOVSTF-QWRGUYRKSA-N 311.338 -0.557 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCNC[C@@H]1C(C)C)[C@@H]1CCCO1 861753411 YAICSGHXZVOHFB-MJBXVCDLSA-N 307.394 -0.260 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N[C@@H](C)Cn1ccnc1 875090795 QRPRYDOLMCDLRV-QWHCGFSZSA-N 306.366 -0.068 30 20 DBED C#CCN1CCC[C@@H](NS(=O)(=O)N(C)CCC(=O)OC)C1 885512173 SWKUTVVTGXBPMN-GFCCVEGCSA-N 317.411 -0.587 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)CN(C)C(=O)OC 919290302 WEWHTKUSPXAGMA-QMMMGPOBSA-N 301.299 -0.372 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CCN(C(=O)Cn3cncn3)C2)c[nH]1 936147655 XJAIDCWMHBBXKP-LLVKDONJSA-N 313.321 -0.491 30 20 DBED C=CCN[C@@H]1CN(C(=O)CN2C(=O)C(=O)N(C)C2=O)C[C@H]1C 939232331 RLJIHPGZPKHEMY-NXEZZACHSA-N 308.338 -0.971 30 20 DBED C[C@@]1(C(=O)N[C@@H]2CCN(C(=O)C#CC3CC3)C2)CCC(=O)N1 942349911 CPZWUXNROIBONU-WBMJQRKESA-N 303.362 -0.214 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 942422043 MJDMVTVLTZOZLR-GRYCIOLGSA-N 323.393 -0.051 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](NC(=O)c2ccc(=O)n(C)n2)C1 942457379 MDCLKOORMIFWRS-NXEZZACHSA-N 303.322 -0.729 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)C[C@H]1C 948010308 AASZVLLXWZTAPC-CHWSQXEVSA-N 320.393 -0.127 30 20 DBED C[C@@H](C#N)C(=O)N1CC(N(C)C(=O)[C@@H]2CCN(C)C(=O)C2)C1 954716672 LSHFJFDUDYTPGY-WDEREUQCSA-N 306.366 -0.316 30 20 DBED C=C[C@](C)(CC)C(=O)N1CC(N(C)C(=O)[C@H]2CNC(=O)N2)C1 955151098 HITXZUWKMZPCME-IAQYHMDHSA-N 308.382 -0.061 30 20 DBED C=CCN1C[C@@H](O)[C@@H](CNC(=O)c2cc(CN(C)C)on2)C1 958201121 WGNORWVCWZDWKP-SMDDNHRTSA-N 308.382 -0.055 30 20 DBED Cc1nc2ccnn2cc1C(=O)NC[C@H]1CN(CC#N)C[C@H]1O 958557222 YVUJCMFAZDEVPL-WCQYABFASA-N 314.349 -0.416 30 20 DBED C=CCN1C[C@H]2C(NC(=O)[C@@H]3CCc4nnc(O)n4C3)[C@@H]2C1 960654055 KUMLWJIJOFAMPM-GMTAPVOTSA-N 303.366 -0.222 30 20 DBED C#CCCN1C[C@@H]2C(NC(=O)CN3C(=O)NC(C)(C)C3=O)[C@H]2C1 962458611 YPAXEAWYWZIQSO-QWRGUYRKSA-N 318.377 -0.614 30 20 DBED C=CCN1C[C@H]2[C@H](NC(=O)c3cn(CC(=O)N(C)C)nn3)[C@H]2C1 962813273 OOSCMFMLSBFHJM-YABSGUDNSA-N 318.381 -0.788 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(C[C@H](NC(=O)c3cocn3)CO2)C1 965643142 HPSCUHDICPPFDW-UWVGGRQHSA-N 304.306 -0.066 30 20 DBED C#CCN1CC[C@H](C)[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)C1 968544362 MHEDVCVAMSPSQX-CMPLNLGQSA-N 314.349 -0.509 30 20 DBED CN1CC[C@@H](CC(=O)N2CC[C@]3(CN(CC#N)CCO3)C2)C1=O 972423353 CNIQAJBPSUTSEV-BBRMVZONSA-N 320.393 -0.318 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H](CNC(=O)c2nnn(C)n2)C1 975457908 MCGZTZCEDKDZQB-UWVGGRQHSA-N 305.342 -0.662 30 20 DBED C=CCN1C[C@@H]2CC[C@@H](NC(=O)Cn3ncn(C)c3=O)C[C@H]2C1 980087071 QXTGNFNXMWNILR-MELADBBJSA-N 319.409 -0.016 30 20 DBED N#CCN1C[C@H]2C[C@@H](NC(=O)Cn3c(O)nnc3O)CC[C@H]2C1 980233781 UZRGVFDXPVFGQO-AXFHLTTASA-N 320.353 -0.570 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](NC(=O)c2cnn(C)c2N)[C@H]1C 987672534 NOJRPHKJOSJZSH-KKZNHRDASA-N 304.354 -0.119 30 20 DBED O=C(N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1n1ccnn1)C1CC1 990784446 VAZBQZYJAXGTCJ-KGLIPLIRSA-N 313.361 -0.030 30 20 DBED O=C(N[C@H]1CCN(C(=O)C#CC2CC2)C[C@H]1O)c1cnns1 991306371 NLSDVASTYSFJHN-WDEREUQCSA-N 320.374 -0.357 30 20 DBED C[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1CNC(=O)c1cnn(C)n1 994288260 BGTHXDWRYXRIOX-GMTAPVOTSA-N 304.354 -0.201 30 20 DBED C=CCn1cc(C(=O)N2CC[C@]3(CN(C(C)=O)CCO3)C2)nn1 1007647908 AIWSUDDLOOZXDJ-HNNXBMFYSA-N 319.365 -0.073 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCN(Cc2nnnn2C)C1 1008557298 CASCOAPHHOAGQR-UPJWGTAASA-N 320.397 -0.118 30 20 DBED Cn1nnc(C(=O)NCC2[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]23)n1 1009378765 MJWUEGRELUVGOA-RYUDHWBXSA-N 314.349 -0.942 30 20 DBED C[C@@H]1OCCO[C@@H]1C(=O)NC1[C@H]2CN(C(=O)C#CC3CC3)C[C@H]12 1013318348 ZVRPHQSRQFNYHW-SDPXSBNPSA-N 318.373 -0.223 30 20 DBED C#CCCN1CC[C@H](NC(=O)CN2C(=O)CC(C)(C)C2=O)C1 1014436251 PWNFTWSHWYLHLT-LBPRGKRZSA-N 305.378 -0.015 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCN(Cc3cnn(C)n3)C2)nn1 1015811123 ZXFXUEORLQZHHU-LLVKDONJSA-N 316.369 -0.403 30 20 DBED C#CCN1CCC2(CC1)C[C@@H]2NC(=O)Cn1c(O)nnc1O 1016948418 QTIJTHZGVUUUNQ-JTQLQIEISA-N 305.338 -0.707 30 20 DBED C=CCN1CCN(C(=O)[C@@H]2CCCN(C(=O)CC(N)=O)C2)CC1 1018364101 QOVXHEHGJDUVMI-CYBMUJFWSA-N 322.409 -0.569 30 20 DBED Cc1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2O)ncn1 1023422820 NYONBIXUWLVGND-XXILOJSOSA-N 303.322 -0.754 30 20 DBED C#CCOc1ncccc1C(=O)N[C@@H]1CN(C(=O)CC)C[C@H]1O 1024921730 MGUGUDQDZJVNSF-CHWSQXEVSA-N 317.345 -0.195 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnn3cc[nH]c23)C1 1024951654 MFVFMAHOEBZCJL-FBIMIBRVSA-N 316.321 -0.876 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)[C@H]1CN(C)CCO1 1026274294 CXRYPWCHLJLRGP-BPLDGKMQSA-N 319.405 -0.307 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@@H](CNCc3nc(O)n[nH]3)C2)[nH]1 1026788205 DFOMQLZUDDWGKP-VIFPVBQESA-N 315.337 -0.038 30 20 DBED CC#CCN1CCC[C@H]1CNC(=O)[C@@H]1CN(C(C)=O)CCO1 1028295529 PZZUSNWEVLAWDP-GJZGRUSLSA-N 307.394 -0.162 30 20 DBED C#CCN1[C@H]2CC[C@H]1CN(C(=O)Cc1nc3ncccn3n1)C2 1029582052 GUIURIMASCWKEO-STQMWFEESA-N 310.361 -0.025 30 20 DBED C=CCN1CCO[C@H](CNC(=O)c2cn(C)c(=O)nc2O)C1 1035602982 QBSQFQDPMFRHFS-SNVBAGLBSA-N 308.338 -0.898 30 20 DBED COCCn1nc(C(=O)NC[C@H]2CCN2CC#N)ccc1=O 1038476779 HWQYYAJVOQNSJV-LLVKDONJSA-N 305.338 -0.783 30 20 DBED C[C@H]1CCN(C(=O)C(N)=O)C[C@@H]1CNc1cnc(C#N)cn1 1039890317 ZEBWJXALFPCUHR-UWVGGRQHSA-N 302.338 -0.270 30 20 DBED N#Cc1ccc(N[C@@H]2C[C@@H](NC(=O)C(N)=O)C23CCC3)nn1 1041613602 WBPHVDMEZHCEKM-NXEZZACHSA-N 300.322 -0.327 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)c2cc(F)c[nH]2)C1 1042053024 YMCGVHXNHMZOKP-UHFFFAOYSA-N 311.313 -0.341 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)CN(C)CCC)C1 1042799257 KTWKPSXCYKDGMA-UHFFFAOYSA-N 309.410 -0.179 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)c2cnnn2CC)C1 1042802161 DPXVBQZHMDLTPW-UHFFFAOYSA-N 319.365 -0.595 30 20 DBED C=C(C)C[C@H](C)C(=O)N1CC(O)(CNC(=O)Cn2nccn2)C1 1043213551 AKBMKUXRDCQFDS-LBPRGKRZSA-N 321.381 -0.430 30 20 DBED C=C(C)CCC(=O)N1CC(O)(CNC(=O)[C@H]2CC(=O)N(C)C2)C1 1043406844 WRJHJZPIPHVGHO-LBPRGKRZSA-N 323.393 -0.490 30 20 DBED Cc1nccc(N2C[C@H](O)[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)n1 1043906805 FKIBIGSFXVKKQN-OLZOCXBDSA-N 312.333 -0.036 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)C[C@H]2CCC(=O)N2C)C1 1044379854 OPHSMABOOUECCY-GFCCVEGCSA-N 323.393 -0.347 30 20 DBED CC#CCCCC(=O)NCC1(O)CN(C(=O)CCCC(N)=O)C1 1045006525 CUVABKFQSQXXCX-UHFFFAOYSA-N 323.393 -0.475 30 20 DBED C#CCN1CC[C@H](N2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 1046010762 UHMLBPIQEKVMBR-JKSUJKDBSA-N 304.438 -0.068 30 20 DBED C[C@@H](CC(=O)NCC1(O)CN(C(=O)[C@H](C)C#N)C1)n1cccn1 1046609274 OQJMETWHKSJZRD-NEPJUHHUSA-N 319.365 -0.317 30 20 DBED CC(C)(C)C#CC(=O)N1CC(O)(CNC(=O)Cn2cncn2)C1 1046866368 OCYONYDDTOBDFU-UHFFFAOYSA-N 319.365 -0.983 30 20 DBED C#CCN1C[C@H]2C[C@H](NC(=O)c3cc(=O)n(C)cn3)C[C@H]1C2 1047087666 DSPGSNWGOZSXRG-RWMBFGLXSA-N 300.362 -0.004 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCN(C)C2=O)C1 1047494523 PKBKECNGBXGWGR-SRVKXCTJSA-N 315.801 -0.279 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cc2cc[nH]n2)C1 1048604908 GTZXPNPNDXNVTD-KBPBESRZSA-N 318.377 -0.214 30 20 DBED Cc1[nH]nc(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)C#N)C2)c1O 1049388106 GMBAMZVBEICULR-JEZHCXPESA-N 321.337 -0.773 30 20 DBED Cc1ccn(CC(=O)N2C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)C#N)C2)n1 1049402834 YZQQHZKQRPVRDN-DRZSPHRISA-N 319.365 -0.619 30 20 DBED N#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)CN1CCNC(=O)C1 1049640942 YGPJAKGUBTXOGG-CHWSQXEVSA-N 305.382 -0.993 30 20 DBED C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)CN1C(=O)CCC1=O 1049889746 RJPKUTGOYRTYCT-OLZOCXBDSA-N 303.362 -0.166 30 20 DBED CC#CCN1CCC2(CC1)CN(C(=O)[C@H]1CN(C)C(=O)N1)C2 1050618244 UGDJKILNOIFFNO-CYBMUJFWSA-N 304.394 -0.042 30 20 DBED C[C@@H]1[C@@H](NC(=O)Cn2ncnn2)CCN1c1nccnc1C#N 1050639162 DFOQCUYIBXJRLN-ZJUUUORDSA-N 313.325 -0.882 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)[C@H]1CCc2nncn2C1 1051254356 HMXIYCMHRXUAJX-QWHCGFSZSA-N 303.366 -0.709 30 20 DBED C=CC(C)(C)C(=O)N1CCO[C@@H](CNCc2nc(=O)n(C)[nH]2)C1 1051755543 IJUFBTDBSQZMKA-NSHDSACASA-N 323.397 -0.362 30 20 DBED N#Cc1nc(=NC2CC(CNC(=O)[C@H]3CCC(=O)N3)C2)cc[nH]1 1051873995 RZUZUBVDQDYWPL-VQXHTEKXSA-N 314.349 -0.645 30 20 DBED C=CCCOCC(=O)NC[C@@H]1CN(C(=O)CC(N)=O)C[C@@H]1C 1052264222 FHIXTOXBYKXTFP-NWDGAFQWSA-N 311.382 -0.335 30 20 DBED N#CCN1CC2(C1)CN(C(=O)[C@H]1CCc3c[nH]nc3C1)CCO2 1053537851 NPDSFKXEHIHXDW-LBPRGKRZSA-N 315.377 -0.049 30 20 DBED C=CCN1CC2(C[C@H](NC(=O)Cn3nc(C)ccc3=O)CO2)C1 1053987024 DGIOGSIBAMFUJY-ZDUSSCGKSA-N 318.377 -0.303 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)[C@H](C)N3CCCCC3=O)CO2)C1 1054016669 HNXMPWBWKBENBU-UONOGXRCSA-N 319.405 -0.020 30 20 DBED Cc1c(C(=O)N2CCN(c3cnc(C#N)cn3)CC2)nnn1C 1055758972 YKSGEEBAOTVRNJ-UHFFFAOYSA-N 312.337 -0.252 30 20 DBED Cc1cc(C#N)nc(N2CCN(C(=O)Cn3cncn3)CC2)n1 1055809743 PCFWHLIAFHQJLS-UHFFFAOYSA-N 312.337 -0.403 30 20 DBED CCN(C)CCC(=O)N1CCC[C@](CO)(NC(=O)[C@@H](C)C#N)C1 1056096887 LPALTGLGQXPRDZ-BBRMVZONSA-N 324.425 -0.042 30 20 DBED C[C@@H](C#N)C(=O)N[C@@]1(CO)CCCN(C(=O)c2cnn(C)n2)C1 1056097983 YAQIZVRPIKMHEV-HZMBPMFUSA-N 320.353 -0.942 30 20 DBED N#Cc1cnccc1N1C[C@H]2C(NC(=O)[C@@H]3COCCO3)[C@@H]2C1 1056136655 YXGHHICOSSIAFM-BZPMIXESSA-N 314.345 -0.081 30 20 DBED N#Cc1nccc(N2C[C@H]3C(NC(=O)Cc4cncnc4)[C@@H]3C2)n1 1056189888 DZQDGOVHYSTBPR-VXGBXAGGSA-N 321.344 -0.068 30 20 DBED CCn1ncc(C(=O)NC2[C@@H]3CN(c4ccc(C#N)nn4)C[C@@H]23)n1 1056202820 PYXOBWQAYOXENQ-GHMZBOCLSA-N 324.348 -0.176 30 20 DBED C=C[C@@](C)(O)CC(=O)N1C[C@@H]2CCCN(C(=O)C(N)=O)[C@@H]2C1 1056711746 XZCKAHKSFSSYLC-FIXISWKDSA-N 309.366 -0.752 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)CNC(=O)C1CC1 1057169569 AAHAPNJGUQGARU-UHFFFAOYSA-N 311.382 -0.584 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)c1cncn1C 1057198380 XZRUGVYZSZZCIC-UHFFFAOYSA-N 310.354 -0.827 30 20 DBED N#Cc1cc(C(=O)N(CCO)CCNC(=O)c2ccon2)c[nH]1 1057391757 LHBVIQQMELYFJM-UHFFFAOYSA-N 317.305 -0.261 30 20 DBED Cn1cc(C(=O)NC2CCN(c3cncc(C#N)n3)CC2)nn1 1057866032 PETSGQIBORPIDX-UHFFFAOYSA-N 312.337 -0.124 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)c1coc(C(N)=O)c1 1058145068 JLDHHJLKWBGOTF-VIFPVBQESA-N 322.321 -0.911 30 20 DBED C=CCCCC(=O)N(CCO)CCNC(=O)[C@H]1CCNC1=O 1058626609 RCHNWUVVGPGXMV-LBPRGKRZSA-N 311.382 -0.584 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)CN(C)C1CCC1 1061663926 RYKWAUODKWAHPT-OCCSQVGLSA-N 322.409 -0.026 30 20 DBED C=CCCC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H](COC)OC 1061877879 ZCPICHQUMJIKJO-QWHCGFSZSA-N 314.382 -0.042 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NCC1(NC(=O)C(N)=O)CCC1 1063214125 CACYLRBOMAEZOB-MNOVXSKESA-N 309.366 -0.392 30 20 DBED N#Cc1nccnc1N1CCO[C@@H](CNC(=O)[C@@H]2CCCO2)C1 1063605328 HMOSKXPWRUJJSJ-AAEUAGOBSA-N 317.349 -0.151 30 20 DBED N#Cc1cncc(NC[C@H]2CCCC[C@H]2NC(=O)C(N)=O)n1 1064187985 JZTPDMVYWCMLKY-MWLCHTKSSA-N 302.338 -0.080 30 20 DBED N#Cc1cncc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)Cn2nccn2)n1 1064300859 JZKAXFHENVJOIZ-PUYPPJJSSA-N 310.321 -0.667 30 20 DBED C=CCOCC(=O)N1CCO[C@@H](CNC(=O)CC(C)(C)O)C1 1064971187 WPCPSAFLKMKOBX-LBPRGKRZSA-N 314.382 -0.306 30 20 DBED C=CCOCC(=O)N1CCO[C@H](CNC(=O)c2[nH]nnc2C)C1 1064973914 HQDCELHFMNCJNE-LLVKDONJSA-N 323.353 -0.727 30 20 DBED COCCC(=O)NC[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)CCO1 1065063987 QTJFGCJMILEJAM-ZDUSSCGKSA-N 320.349 -0.120 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)CC(=O)N(C)C)CCO1 1065165800 VLLPWFAGTBKDOW-ZDUSSCGKSA-N 323.393 -0.388 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)[C@@H](COC)OC)CCO1 1065591527 RZYBBOJCABLOHZ-CHWSQXEVSA-N 314.382 -0.042 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC[C@H](NC(=O)CNC(C)=O)CC1 1065777380 VZGLLFCISLKXCG-OCCSQVGLSA-N 323.393 -0.342 30 20 DBED N#Cc1ccc(N2C[C@H]3CN(C(=O)Cn4cncn4)C[C@H]3C2)nn1 1066007587 SYJYXFQEIYPEBZ-TXEJJXNPSA-N 324.348 -0.465 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@H]1CN2c1nccn2nnnc12 1068032844 BYXXNIWCADTLEO-AXFHLTTASA-N 312.337 -0.141 30 20 DBED C=CCCC(=O)N1CCOC2(C1)CN(C(=O)CNC(C)=O)C2 1068344463 NZVQJNVYDBDBRC-UHFFFAOYSA-N 309.366 -0.472 30 20 DBED C=CCCC(=O)N1CC2(C1)CN(C(=O)C(C)(C)C(N)=O)CCO2 1068406519 WMLYFGPVRFVRFR-UHFFFAOYSA-N 323.393 -0.096 30 20 DBED N#Cc1cncc(NC[C@H]2C[C@H](NC(=O)[C@@H]3CCC(=O)N3)C2)n1 1068510117 ODGDONXOWABXSE-NHCYSSNCSA-N 314.349 -0.066 30 20 DBED C#CCCCC(=O)N1CC2(CC[C@H](CNC(=O)C(N)=O)O2)C1 1068617203 UDHMWZHSRAGECM-LLVKDONJSA-N 307.350 -0.849 30 20 DBED N#Cc1ccc(N2CC[C@]3(NC(=O)C(N)=O)CCC[C@H]23)nn1 1069282174 ISPVFMPDIODCMT-IINYFYTJSA-N 300.322 -0.549 30 20 DBED C#CCN1CC2(C1)CN(C(=O)COC)C[C@H]2c1n[nH]c(C)n1 1070435588 LFPDYLROWWPPSV-LBPRGKRZSA-N 303.366 -0.379 30 20 DBED CNC(=O)CN1C[C@H]2C[C@H]3CN(C(=O)C#CC4CC4)C[C@@]3(C1)O2 1070798067 HRDVRNHWRLGZFE-JJRVBVJISA-N 317.389 -0.553 30 20 DBED Cn1cncc1C(=O)N1C[C@H]2C[C@@H]3CN(CC#N)C[C@]2(C1)O3 1070821777 IZEUJOAIAXLXEJ-LALPHHSUSA-N 301.350 -0.141 30 20 DBED C=CCCOCC(=O)N1CCC[C@@H](NC(=O)Cn2cnnn2)C1 1070901204 OGYZIPDDMWPKSD-GFCCVEGCSA-N 322.369 -0.627 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)[C@@]2(F)CCOC2)CC1 1070991429 RJIQBVNDOHKJEO-OAHLLOKOSA-N 313.373 -0.049 30 20 DBED C[C@H]1CN(C(=O)c2cnn(C)c2N)C[C@H]1NC(=O)C#CC1CC1 1071948676 KOPGRAFMWUAILQ-GXFFZTMASA-N 315.377 -0.008 30 20 DBED C=CCCC(=O)N[C@H]1CN(C(=O)CCn2cnnn2)C[C@@H]1C 1072599565 KZZQEEOQWGUHCT-RYUDHWBXSA-N 306.370 -0.008 30 20 DBED C#CCCN1CCCO[C@@H](CNC(=O)[C@@H]2CCC(=O)NC2)C1 1073670114 DGQUYABQCBAPSK-KGLIPLIRSA-N 307.394 -0.257 30 20 DBED N#CCN1CCCO[C@@H](CNC(=O)c2ccn3nnnc3c2)C1 1073726099 DHFGKMKNVBCOCR-LBPRGKRZSA-N 315.337 -0.531 30 20 DBED C#CCCN1CCCO[C@H](CNC(=O)[C@@H]2CCN(C)C2=O)C1 1073732561 REBLPWWUXGUPOE-KGLIPLIRSA-N 307.394 -0.305 30 20 DBED CC#CCN1CCCO[C@H](CNC(=O)[C@H]2CCC(=O)N2C)C1 1073741565 VTGSOPLDKSZOJO-ZIAGYGMSSA-N 307.394 -0.162 30 20 DBED N#CCN1CCO[C@H]2CCN(C(=O)c3cc(C(N)=O)c[nH]3)C[C@H]21 1074369307 UGFDTCRBWNGQEW-OLZOCXBDSA-N 317.349 -0.448 30 20 DBED C=CCOCC(=O)NCC1(O)CCN(C(=O)c2cnco2)CC1 1074649931 PPQJGBZISHQECF-UHFFFAOYSA-N 323.349 -0.040 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CCN(C(=O)Cn2cnnn2)[C@@H](C)C1 1074972346 DZKVAIFNVPSKNX-QWHCGFSZSA-N 318.381 -0.172 30 20 DBED C[C@@H](CCNC(=O)C1CCN(C(N)=O)CC1)NC(=O)[C@H](C)C#N 1076457338 ZFFFSJAYWWPGIZ-MNOVXSKESA-N 323.397 -0.052 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)c2cnc3nccnc3c2)C1 1077147529 UFHNTNKWKVZMMY-ZIAGYGMSSA-N 311.345 -0.177 30 20 DBED C=C(C)CN1C[C@@H](NC(=O)Cn2ccc(O)nc2=O)[C@H](C)C1 1080061539 YAZFONVEMWRORR-VXGBXAGGSA-N 306.366 -0.039 30 20 DBED C=CCn1cc(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C(C)C)C2)nn1 1081281754 OIXMVMXBVCSCTP-WCQYABFASA-N 321.381 -0.331 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(C(=O)c2cnco2)C[C@@H]1O 1081473776 KLWRZRBQVSZWJY-RYUDHWBXSA-N 303.318 -0.363 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)c2c(C)c[nH]c2CC(N)=O)C1 1083794747 LDQVBTBOJLYCLU-OLZOCXBDSA-N 318.377 -0.851 30 20 DBED Cn1nnc2cccc(C(=O)N[C@@H]3CN(CC#N)C[C@@H]3O)c21 1084130808 ISBUYJZFLHBNDA-NEPJUHHUSA-N 300.322 -0.733 30 20 DBED C=CCN1CC[C@@H]2CN(C(=O)CN3CCN(C)C(=O)C3)[C@@H]2C1 1084466102 BCQORSIEYDQWNS-ZIAGYGMSSA-N 306.410 -0.521 30 20 DBED C=CCn1cc(C(=O)N2C[C@H]3CCN(C[C@H](C)O)C[C@H]32)nn1 1084708948 CAYBURGQDDJICP-OUCADQQQSA-N 305.382 -0.009 30 20 DBED CC#CCN1CC[C@@H]2CN(C(=O)C[C@H]3CC(=O)NC3=O)[C@@H]2C1 1084874051 DJRFNGFMAGUWED-JHJVBQTASA-N 303.362 -0.405 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@H]2CNC(=O)N2)[C@H](c2ccccc2)C1 1086607180 OQJRREZJNLNIGU-RRFJBIMHSA-N 312.373 -0.115 30 20 DBED C=C(Cl)CN1CC[C@@H](NC(=O)Cn2cnnc2O)[C@@H](O)C1 1090196009 ABMUXNNUCKBDBS-ZJUUUORDSA-N 315.761 -0.712 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2cncc3nc[nH]c23)[C@H](O)C1 1090276907 RAQKEWPQVDWJRN-ZYHUDNBSSA-N 300.322 -0.354 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CN(c2ncnc3c2ncn3C)C[C@H]1O 1090404948 ZCLWBYHOKLEYRT-IVZWLZJFSA-N 315.337 -0.811 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(c2cc(F)ncn2)C[C@H]1O 1090408752 ZUNWBHJXZDXYSU-RULNRJAQSA-N 310.329 -0.392 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)Cn2nc(C)n(C)c2=O)[C@@H](O)C1 1090771080 NYLXYLDUDDHGCU-STQMWFEESA-N 323.397 -0.982 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2cc(N(C)C)ccn2)[C@@H](O)C1 1090840444 ZSAGMQQUKCAVET-HIFRSBDPSA-N 302.378 -0.054 30 20 DBED Cc1ccc(N2C[C@H](O)[C@H](NC(=O)CSCC#N)C2)nn1 1091070468 GGPQIXUNJHYSMT-MNOVXSKESA-N 307.379 -0.293 30 20 DBED CC(C)(O)CC(=O)N[C@@H]1CCN(c2cncc(C#N)n2)C[C@@H]1O 1092146674 UTAOOUQJADZMFU-NEPJUHHUSA-N 319.365 -0.435 30 20 DBED CC(C)(O)CC(=O)N[C@@H]1CCN(c2cncc(C#N)n2)C[C@H]1O 1092146677 UTAOOUQJADZMFU-VXGBXAGGSA-N 319.365 -0.435 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(c2cc(F)ncn2)C[C@@H]1O 1092153610 KFEXCQFEOONVRD-QWRGUYRKSA-N 310.329 -0.126 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H]1CN(c2ncccn2)C[C@H]1C 1092351082 YQJGEAKLWLEDIV-CHWSQXEVSA-N 315.377 -0.195 30 20 DBED C#CCCN1C[C@@H](C)[C@H](CNC(=O)c2nccnc2C(N)=O)C1 1093184769 WPCVUSKDSXDOKF-VXGBXAGGSA-N 315.377 -0.104 30 20 DBED N#Cc1sc(NCCNC(=O)CNC(N)=O)nc1Cl 1093501543 ZQGMLZMWHLTRCS-UHFFFAOYSA-N 302.747 -0.135 30 20 DBED C=CCCN1CC(N2C[C@H](NC(=O)c3cnn(C)n3)CC2=O)C1 1094795510 RCZWHEVDHCWMIR-LLVKDONJSA-N 318.381 -0.594 30 20 DBED C[C@H](NC(N)=O)C(=O)N1CC[C@@H](N(C)c2cnc(C#N)cn2)C1 1095113103 MMIWBUIXZIGFOQ-GXSJLCMTSA-N 317.353 -0.558 30 20 DBED C[C@H](NC(N)=O)C(=O)N1CCCN(c2ccnc(C#N)n2)CC1 1095174144 DWRBNOZRNWEESL-JTQLQIEISA-N 317.353 -0.556 30 20 DBED C[C@H](NC(N)=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)nn2)C1 1096160598 AXKCTGIVHQPMDX-GXSJLCMTSA-N 317.353 -0.510 30 20 DBED N#Cc1nccc(N2CC[C@H](NC(=O)CCn3ccnn3)C2)n1 1096362988 OYZJAVIBIIIEGI-NSHDSACASA-N 312.337 -0.275 30 20 DBED N#Cc1ccc(N[C@H](CNC(=O)Cn2cnnn2)C2CC2)nc1 1096568409 XSGAPFYCBCMWAM-GFCCVEGCSA-N 312.337 -0.053 30 20 DBED C[C@@H](CNC(=O)Cn1cnnc1O)Nc1ccc(C#N)cn1 1097788090 UTKQYPQECGZYQA-VIFPVBQESA-N 301.310 -0.133 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCC(N(CCO)C[C@H](C)O)CC1 1098354336 SOVYWLAZIMYRRB-XJKSGUPXSA-N 314.426 -0.020 30 20 DBED C[C@H](CNC(=O)c1cc2n(n1)CCO2)N=c1cc[nH]c(C#N)n1 1098355288 FBHAUOYNAYJBBV-SECBINFHSA-N 313.321 -0.411 30 20 DBED CCS(=O)(=O)CC(=O)N1CCC(N(CC#N)CCO)CC1 1098570423 BKWGSOWNRJCEFL-UHFFFAOYSA-N 317.411 -0.770 30 20 DBED C=CCNCc1cn([C@@H]2CCN(C(=O)CNC(=O)CC)C2)nn1 1098644486 BEBZQXMQSHTIIG-CYBMUJFWSA-N 320.397 -0.147 30 20 DBED N#CCNCc1cn([C@@H]2CCN(C(=O)c3n[nH]cc3F)C2)nn1 1098722589 OOOCKZMHZGETOU-SNVBAGLBSA-N 318.316 -0.159 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)CC(C)(C)O)[C@H](O)C1 1099810808 TZVRZGMELODDIJ-QWHCGFSZSA-N 300.399 -0.099 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)c2ccns2)[C@H](O)C1 1099852838 FWXRBTCHHWHLKH-GHMZBOCLSA-N 322.390 -0.943 30 20 DBED CC#CCN1CC[C@H](NC(=O)CCc2ccncn2)[C@@H](O)C1 1099855305 GATALMHPPMFZNT-GJZGRUSLSA-N 302.378 -0.016 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C)c1nc(O)c2cnn(C)c2n1 1100004726 CILJFUFEMBWFQN-QMMMGPOBSA-N 303.326 -0.219 30 20 DBED C#CCCN1CC[C@H](NC(=O)CNC(=O)c2ccco2)[C@H](O)C1 1100096697 LVFAJAYIMVXADG-QWHCGFSZSA-N 319.361 -0.416 30 20 DBED C=CCCOCC(=O)N[C@H]1CCN(Cc2cn(C)nn2)C[C@@H]1O 1100139369 POSMZKGOCXDJQZ-KBPBESRZSA-N 323.397 -0.541 30 20 DBED CN(CCNC(=O)[C@@H]1CCNC(=O)CC1)c1cnc(C#N)cn1 1100237305 CLTHDJHGCPRHFV-NSHDSACASA-N 316.365 -0.183 30 20 DBED COC[C@H](OC)C(=O)NC[C@@H]1CCN(c2ccnc(C#N)n2)C1 1101050573 LRIUUXZTISJFEB-RYUDHWBXSA-N 319.365 -0.048 30 20 DBED C[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1CNC(=O)C#CC(C)(C)C 1101954831 FQIBWZPRHIBMFJ-VXGBXAGGSA-N 322.409 -0.085 30 20 DBED C=CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)[C@H](C)CC(N)=O)C1 1102216088 GFTJLJKQAJWAIN-JHJVBQTASA-N 324.425 -0.516 30 20 DBED CC(=O)NCC(=O)NCC[C@H]1CCN(c2cnc(C#N)cn2)C1 1102268899 WLDNHLKRJDJODZ-LBPRGKRZSA-N 316.365 -0.183 30 20 DBED C=CCOCC(=O)NC[C@H](C)CNc1ccc2nnnn2n1 1103899882 DLZPZFYVIYOXKE-SNVBAGLBSA-N 305.342 -0.114 30 20 DBED Cc1nc(C)c(C(=O)NC[C@@H](O)CN=c2cc[nH]c(C#N)n2)o1 1105770201 WMNBPCCEWATLHB-JTQLQIEISA-N 316.321 -0.422 30 20 DBED N#Cc1ccc(C(=O)NC[C@@H](O)CNc2nccnc2C#N)[nH]1 1105788836 OBIZNXBRFBAGFJ-JTQLQIEISA-N 311.305 -0.249 30 20 DBED N#Cc1cccnc1NC[C@H](O)CNC(=O)[C@H]1CCNC(=O)C1 1105789907 ANZCWNITPSMXPO-JQWIXIFHSA-N 317.349 -0.632 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNc1nccnc1C#N 1106285640 VDTUOLUVZZYTLQ-NSHDSACASA-N 314.349 -0.206 30 20 DBED CCNC(=O)CC(=O)N(CC)CCN=c1cc[nH]c(C#N)n1 1106730214 MEZXLQLZEJXMLJ-UHFFFAOYSA-N 304.354 -0.443 30 20 DBED CCS(=O)(=O)N(C)CC(=O)N1C[C@@H](C)[C@H](CNCC#N)C1 1106823288 ZJHGPWZJNPBCGB-VXGBXAGGSA-N 316.427 -0.524 30 20 DBED N#Cc1ccc(NC/C=C\CNC(=O)Cn2cnnc2O)nn1 1107133063 AGLPSPFBRIZRNH-UPHRSURJSA-N 314.309 -0.570 30 20 DBED C[C@H](CC(=O)NC/C=C\CN=c1cc[nH]c(C#N)n1)NC(N)=O 1107351705 YINBDVDKSUHKNN-MXQLGCADSA-N 317.353 -0.699 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)c2cc(OC)n(C)n2)C1 1108063454 RMXBUMMLCSYJPU-OAHLLOKOSA-N 306.366 -0.117 30 20 DBED C=CCn1cc(C(=O)NC[C@@]2(C)CN(C[C@@H](C)O)CCO2)nn1 1108266227 KKWOBTXEQBOXKP-DOMZBBRYSA-N 323.397 -0.334 30 20 DBED C=CCNC(=O)CN1CC(N2C[C@@H](NC(=O)CC)CC2=O)C1 1108494263 IYNJSUIEAAMZKU-NSHDSACASA-N 308.382 -0.900 30 20 DBED C#CCCN1CC(N2C[C@H](NC(=O)CCCN(C)C)CC2=O)C1 1108566153 FJJNGOWPPDKWML-CQSZACIVSA-N 320.437 -0.247 30 20 DBED C#CCN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CS(=O)(=O)N(C)C)C2 1108810141 SAOZMHZMJLNTKH-AVGNSLFASA-N 313.423 -0.520 30 20 DBED C[C@@H](CN(C)c1cnc(C#N)cn1)NC(=O)CCCC(N)=O 1109011622 BCNUHEDAEZCXFO-JTQLQIEISA-N 304.354 -0.055 30 20 DBED C[C@H](CN(C)c1cnc(C#N)cn1)NC(=O)[C@@]1(C)CCNC1=O 1109235435 DHHUYCAOVQZITG-BMIGLBTASA-N 316.365 -0.185 30 20 DBED C#CCO[C@H](C)C(=O)N(C)[C@H]1CN(c2ccnc(C)n2)C[C@@H]1O 1111190561 IELRRZUHLAESKP-XBFCOCLRSA-N 318.377 -0.169 30 20 DBED C#CCCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CS(=O)(=O)N(C)C 1111337119 MUTKJRKIDMACFT-UPJWGTAASA-N 313.423 -0.377 30 20 DBED C[C@@H](C#N)C(=O)N[C@@]1(CO)CCCN(c2ccnc(C#N)n2)C1 1111343144 NLEPTJBSOJXIGY-NHYWBVRUSA-N 314.349 -0.045 30 20 DBED CC(C)(O)CC(=O)N(CCO)CCN=c1cc[nH]c(C#N)n1 1111458934 NWOICIDYBHEFRN-UHFFFAOYSA-N 307.354 -0.836 30 20 DBED COCCC(=O)NC[C@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1112689158 JJXMBHLSSQDYPC-QWRGUYRKSA-N 305.338 -0.702 30 20 DBED C#CCCCC(=O)N1CCN(C[C@@H](O)COCCOC)CC1 1112809458 HGZJKXZXTVCWFU-OAHLLOKOSA-N 312.410 -0.042 30 20 DBED Cc1cc(C(=O)NC2[C@H]3CN(CC(=O)NCC#N)C[C@H]23)no1 1113820562 XZGHAHSZIQBEDH-UWVGGRQHSA-N 303.322 -0.717 30 20 DBED N#CCSCC(=O)NC1[C@@H]2CN(CC(=O)N3CCC3)C[C@@H]12 1113891067 LQIREBNCJUVIPZ-GHMZBOCLSA-N 308.407 -0.478 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)Cc3ccnn3C)[C@@H]2C1 1114186106 FLUWWXPPXDMPGP-CHWSQXEVSA-N 317.393 -0.689 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H]1[C@@H]2CN(Cc3cn(C)nn3)C[C@@H]21 1114270226 BOLBODNLWRLFIU-SCUASFONSA-N 303.366 -0.600 30 20 DBED C[C@H](CCCN=c1cc[nH]c(C#N)n1)NC(=O)[C@@H]1CNC(=O)N1 1115061648 AQZGRCPYQPLEIR-ZJUUUORDSA-N 317.353 -0.852 30 20 DBED C=CCCOCC(=O)NC1[C@@H]2CN(Cc3cn(C)nn3)C[C@@H]12 1115330382 LPFQZGIYVHTIFV-CHWSQXEVSA-N 305.382 -0.046 30 20 DBED C#Cc1cncc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)OC)c1 1120803278 QZXGMWMBWFBUNG-LBPRGKRZSA-N 322.342 -0.525 30 20 DBED N#Cc1cnc(N[C@H](CO)CNC(=O)Cn2cccn2)c(F)c1 1121055442 MQMNLVFMFMTMSO-NSHDSACASA-N 318.312 -0.122 30 20 DBED CCc1nc(C#N)cc(N[C@@H](CO)CNC(=O)[C@@H](C)OC)n1 1121159313 SQVUTBXXMCANPY-MWLCHTKSSA-N 307.354 -0.165 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)[C@@H]2CCNC(=O)C2)cn1 1121310865 LYTXGAFLTZZWIJ-ZWNOBZJWSA-N 317.349 -0.632 30 20 DBED N#Cc1c(F)cccc1N[C@@H](CO)CNC(=O)[C@@H]1COC(=O)N1 1121387107 NCAFGSXBPWJSBL-PELKAZGASA-N 322.296 -0.305 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)c1ccc(C)o1 1123104317 LDWHQDMPFVIPOX-UHFFFAOYSA-N 308.338 -0.081 30 20 DBED CNC(=O)NCC(=O)N1CC[C@H](Nc2nccnc2C#N)[C@H]1C 1123107787 CSHNATBDWKHGJL-ZJUUUORDSA-N 317.353 -0.321 30 20 DBED CN(C[C@H](O)CN(C)c1ccnc(C#N)n1)C(=O)CC(C)(C)O 1125100996 ZNFHXCXXDMTDQQ-LLVKDONJSA-N 321.381 -0.235 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1cncc2nc[nH]c12 1127796713 AIJPHFJERFGRPL-JTQLQIEISA-N 314.349 -0.585 30 20 DBED C=C(Cl)CN1CCn2ncc(CNC(=O)CC(N)=O)c2C1 1128290120 OAXUGSLOPPWDOJ-UHFFFAOYSA-N 311.773 -0.057 30 20 DBED C#CCC1(C(=O)NCCN[C@@H](C)C(=O)NC(=O)NC)CCC1 1129141961 ADIUKTVSVOKNLU-NSHDSACASA-N 308.382 -0.270 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@H](C)OCCOC)C[C@@H]1n1ccnn1 1130026572 UWNLEKZSOSZXHQ-MJBXVCDLSA-N 321.381 -0.696 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)COCc1ncc(C)o1 1131168462 GHFBCOICIPVWID-LBPRGKRZSA-N 324.381 -0.104 30 20 DBED C=CCNC(=O)CN1C[C@H](NC(=O)CC(=O)NC)CC[C@H]1C 1131973160 YRGUSQSLBHWXCI-VXGBXAGGSA-N 310.398 -0.606 30 20 DBED C[C@@H]1CC[C@@H](NC(=O)Cc2cnc[nH]2)CN1CC(=O)NCC#N 1132321951 MLJVAWHOOAEOHZ-VXGBXAGGSA-N 318.381 -0.439 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cncc(OC(C)C)c1 1132352708 WPYYMQDXKKRSJT-UHFFFAOYSA-N 318.377 -0.062 30 20 DBED C[C@H](C[C@@H](C)NC(=O)c1ccncn1)NCC(=O)NCC#N 1135746973 MCQXVXSQGYAQIX-GHMZBOCLSA-N 304.354 -0.397 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)c1cn(CC)nn1 1135806896 LDUPBHVYNONBIE-NWDGAFQWSA-N 320.397 -0.466 30 20 DBED C=CCNC(=O)CNCCNC(=O)C(=O)N1[C@H](C)CCC[C@H]1C 1135911231 ZBTDAQVROWGBRW-CHWSQXEVSA-N 324.425 -0.216 30 20 DBED C=CCNC(=O)[C@H](C)N1CCCO[C@@H](CNC(=O)COC)C1 1148951819 WRUYCYNMULUTDN-STQMWFEESA-N 313.398 -0.469 30 20 DBED N#Cc1ccc(CNCCNC(=O)Cn2c(O)nnc2O)s1 1149140906 JIBVMYMNDFZQJZ-UHFFFAOYSA-N 322.350 -0.472 30 20 DBED Cc1ncc(C(=O)NCCNCC(=O)NCC#N)c(C2CC2)n1 1149539811 ZXEDCAAOUVWLJX-UHFFFAOYSA-N 316.365 -0.378 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)c2ccc(O)nc2)C1=O 1149763793 VYQBTAQUCSFUQY-GFCCVEGCSA-N 304.350 -0.107 30 20 DBED C=CCOCCNCCNC(=O)CCS(=O)(=O)N(C)C 1152083887 BVZLYGOXPNPTRD-UHFFFAOYSA-N 307.416 -0.824 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)c1nonc1C 1153578513 QFLXGRYKTILCCK-UHFFFAOYSA-N 307.354 -0.102 30 20 DBED N#CCNC(=O)CNCCCNC(=O)c1cc2c([nH]1)CCOC2 1159741795 QYCYGIFNSGLXOO-UHFFFAOYSA-N 319.365 -0.563 30 20 DBED C=CCNC(=O)CNCCCNC(=O)c1cnc2n1CCC2 1160185842 BDNPBFQWZFUHHW-UHFFFAOYSA-N 305.382 -0.159 30 20 DBED COCC1(CNC(=O)CCn2cnnn2)CCN(CC#N)CC1 1162557411 CZIFANYTUBTOLU-UHFFFAOYSA-N 321.385 -0.568 30 20 DBED COCC#CCNCC1(CCNC(=O)Cn2ncnn2)CC1 1164556225 UBYPEAJNNIJCBH-UHFFFAOYSA-N 306.370 -0.801 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NCCCNCc1nncn1C 1167685846 YCDZJSXIQNJHCF-ZDUSSCGKSA-N 322.413 -0.118 30 20 DBED CCN(CCC#N)C(=O)CNCCCNC(=O)Cc1ncc[nH]1 1169204484 LPQXVIHZTBWEOH-UHFFFAOYSA-N 320.397 -0.190 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)CC(=O)NCC3CC3)C[C@@H]21 1177124345 JNARQBPQXZFYJK-LSDHHAIUSA-N 319.405 -0.162 30 20 DBED C#CCNC[C@H]1C[C@H]2CC[C@H]1N(C(=O)Cn1ncn(C)c1=O)C2 1177814945 URSSUPIJSGPLHL-MGPQQGTHSA-N 317.393 -0.568 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)Cc3ccon3)[C@@H]2C1 1187408849 VBCRPIZHIZLLOF-GXTWGEPZSA-N 316.361 -0.501 30 20 DBED CC(C)(O)CC(=O)N1CC[C@H]2CN(CC(=O)NCC#N)C[C@H]21 1187729029 JFTSEOTUKNUFKU-NWDGAFQWSA-N 308.382 -0.680 30 20 DBED CC(C)C#CC(=O)N1CC[C@H]2CN(Cc3nc(=O)n(C)[nH]3)C[C@H]21 1187814310 ZZZVBNVPNCGICR-QWHCGFSZSA-N 317.393 -0.200 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)Cn2ccnc2C)C1 1187852032 ZOEMRFRVHYJIAR-TZMCWYRMSA-N 317.393 -0.480 30 20 DBED Cc1cc(C)c(C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@H]2O)o1 1192097194 SLUUMVXYISOHGV-VXGBXAGGSA-N 320.349 -0.689 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)COCc2ccc(OC)nc2)C1 1194117979 BVWFUQHGCCLGEG-ZIAGYGMSSA-N 319.361 -0.599 30 20 DBED C#CCNC[C@H]1CN(C(=O)c2cccn3nnnc23)CCCO1 1200590991 UHIBAVRWIKWAKR-LBPRGKRZSA-N 314.349 -0.422 30 20 DBED N#CCNC[C@H]1CN(C(=O)c2cnc3n2CCOC3)CCCO1 1200727711 BHBRNNZULZCABE-LBPRGKRZSA-N 319.365 -0.242 30 20 DBED C#CCCNC[C@H]1CN(C(=O)[C@H]2COCCN2CC)CCCO1 1200860040 RYROJJPCZAAGFJ-JKSUJKDBSA-N 323.437 -0.063 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)Cc2nnc(C)o2)C1 1207972512 UWIPUBJJTDPDEM-GFCCVEGCSA-N 319.365 -0.749 30 20 DBED COCC1(C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@H]2C)CCC1 1208022340 PSUNAEOZLWIMTH-CHWSQXEVSA-N 322.409 -0.121 30 20 DBED COCC#CCN[C@@H]1CCCN(C(=O)[C@H]2CCC(=O)N2C)C1 1209222775 MGTQQXAIEPCETF-ZIAGYGMSSA-N 307.394 -0.162 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)C[C@@H](C)N1CCCC1=O 1213716850 JBNFGVXTYFPKQU-JHJVBQTASA-N 308.382 -0.274 30 20 DBED C[C@@H]1CN(C(=O)Cc2ccn(C)n2)C[C@H]1NCC(=O)NCC#N 1214587241 CGRHDFLRPPJSCO-DGCLKSJQSA-N 318.381 -0.961 30 20 DBED CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1C[C@@H](NCC#N)[C@H](C)C1 1215446999 SZWSVHHVWAAZOV-DDTOSNHZSA-N 318.381 -0.583 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)C[C@@H]2CCC(=O)N2)C[C@H]1C 1215879105 SSTDPESNOGOJBK-HZSPNIEDSA-N 307.394 -0.259 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)COC(C)C)C1 1219315001 PPHZNXVHEYEIQZ-XQQFMLRXSA-N 313.398 -0.737 30 20 DBED C=CCCC(=O)N[C@@H]1CN(Cc2nnnn2C2CC2)C[C@@H]1O 1219333178 RXBCQYYUWXGIMF-NEPJUHHUSA-N 306.370 -0.365 30 20 DBED CCn1ccnc1C(=O)N[C@@H]1CN(CC#CCOC)C[C@@H]1O 1219530922 JRJQTGYWLRIKIJ-OLZOCXBDSA-N 306.366 -0.672 30 20 DBED CCc1nc[nH]c1C(=O)N[C@@H]1CN(CC#CCOC)C[C@@H]1O 1220875558 PJSGEUBZXUVTGW-OLZOCXBDSA-N 306.366 -0.603 30 20 DBED C#CCOCCC(=O)N1C[C@H]2CCN(Cc3cnn(C)n3)C[C@H]21 1221544863 KQRQVJULELXLBH-UKRRQHHQSA-N 317.393 -0.112 30 20 DBED CC#CCN1CCC(CNC(=O)CN2CCOCC2=O)CC1 1223487713 NVONUZNKYVOYNX-UHFFFAOYSA-N 307.394 -0.303 30 20 DBED C=CCCN1CCC(CNC(=O)CNS(=O)(=O)NC)CC1 1223945243 OFYVHTVGHIHQNN-UHFFFAOYSA-N 318.443 -0.556 30 20 DBED C=CCNC(=O)[C@H](C)N1CCC(NC(=O)[C@@H](C)NC(C)=O)CC1 1225963921 KCZXPHWWFFZXSK-NEPJUHHUSA-N 324.425 -0.218 30 20 DBED C=CCN1CC[C@@H](N2CC[C@H]2CN(C)C(=O)CNC(C)=O)C1=O 1230642827 VZHVNGZBURZGFY-UONOGXRCSA-N 322.409 -0.558 30 20 DBED C=CCC1(O)CCN(C(=O)CN2CCS(=O)(=O)CC2)CC1 1262188842 FTZSJVQOTYMDOH-UHFFFAOYSA-N 316.423 -0.354 30 20 DBED C=CC[C@H]1NC(=O)N(CCS(=O)(=O)N2CCCC2)C1=O 1262384728 NINJDDXISGQYDD-SNVBAGLBSA-N 301.368 -0.092 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)CN2CCCCC2=O)C1 1317058858 KSVFEXCTSIGUQV-ZDUSSCGKSA-N 322.409 -0.508 30 20 DBED COc1cncc(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)n1 1321073368 NIJAKGSUMXRXLP-WYMLVPIESA-N 317.305 -0.259 30 20 DBED C=CCNC(=O)CNC(=O)c1cc(S(N)(=O)=O)oc1C 1321626463 ZFESZGHKSFCEBL-UHFFFAOYSA-N 301.324 -0.733 30 20 DBED C=CCSCCNC(=O)C(=O)N(C)CCNS(C)(=O)=O 1323608858 OUSVKDMCQSDECJ-UHFFFAOYSA-N 323.440 -0.971 30 20 DBED C=CCn1cc(C(=O)N2CC(n3cc([C@@H](C)O)nn3)C2)nn1 1326654529 RIZMLKCWKYGPQY-SECBINFHSA-N 303.326 -0.194 30 20 DBED CC(C)C[C@@H](CCO)CNC(=O)C(=O)N1CCO[C@@H](C#N)C1 1327211645 PYCRJEOCRDZMHM-OLZOCXBDSA-N 311.382 -0.102 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2C[C@H]3C=C[C@H]2C3)c1=O 1331033972 DBZORKLZKDAQAO-STQMWFEESA-N 316.361 -0.239 30 20 DBED C=CCSCCn1nnnc1N1CCN2C(=O)NC(=O)[C@@H]2C1 1333939779 DRJOVTZYBXXEIT-VIFPVBQESA-N 323.382 -0.667 30 20 DBED C=CCn1c(N2CCO[C@H](C#N)C2)nnc1[C@]1(O)CCOC1 1339125406 UZSLQFZJRJLQNB-RISCZKNCSA-N 305.338 -0.199 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N[C@@H](C)c1nncn1C 1342153517 GZASNGRUZRJPFU-VIFPVBQESA-N 301.372 -0.224 30 20 DBED C[C@@H](NC(=O)C(=O)N[C@@H]1CC[C@H](C#N)C1)[C@@H]1CN(C)CCO1 1349029028 AOSLPHDFXUTDDF-XQHKEYJVSA-N 308.382 -0.370 30 20 DBED C[C@H](C(=O)NCCn1cc(C#N)c(O)nc1=O)c1cnccn1 1362690369 SMWDKKPWSLPODG-VIFPVBQESA-N 314.305 -0.470 30 20 DBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H]1C[C@H](O)C1 1362852290 BXLMIQDINMPKNZ-MGCOHNPYSA-N 323.374 -0.388 30 20 DBED N#Cc1cn(CCNC(=O)CCc2ccncc2)c(=O)nc1O 1363285330 FLSQGNMQSBXTPB-UHFFFAOYSA-N 313.317 -0.035 30 20 DBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1C[C@H](CO)C1 1363599269 NVBVEIPNSRIUGK-MGCOHNPYSA-N 323.374 -0.388 30 20 DBED CC(C)OC(=O)C(C)(C)NC(=O)Cn1cc(C#N)c(O)nc1=O 1363670042 RDUMSWNBWGRKFT-UHFFFAOYSA-N 322.321 -0.333 30 20 DBED Cc1nc([C@H]2CCN(c3c(C#N)c(=O)n(C)c(=O)n3C)C2)n[nH]1 1364208096 YVMINJMNQTXAHZ-VIFPVBQESA-N 315.337 -0.624 30 20 DBED N#Cc1cnn2c(O)cc(CN3CCCS(=O)(=O)CC3)nc12 1364346075 ADUGOPMCDIGIJL-UHFFFAOYSA-N 321.362 -0.073 30 20 DBED Cc1cc(C)n(CC(=O)N2CC(NC(=O)[C@H](C)C#N)C2)c(=O)n1 1374751621 SMUXGWPHZNVKGH-SECBINFHSA-N 317.349 -0.653 30 20 DBED C=C(Br)CNC[C@H](C)NC(=O)Cn1ncnn1 1392560087 CZFHXIJYLURALS-QMMMGPOBSA-N 303.164 -0.324 30 20 DBED N#Cc1ccc(C(=O)NC[C@@H](O)CNC(=O)c2cscn2)[nH]1 1399793691 JWVVRBGCVSTLIW-SECBINFHSA-N 319.346 -0.136 30 20 DBED N#Cc1ccc(NCC(=O)NC[C@@]2(O)CCS(=O)(=O)C2)nc1 1412139707 RTSZABZJKCSYEO-ZDUSSCGKSA-N 324.362 -0.969 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](C1CC1)N(C)C(=O)CCn1cnnn1 1424933668 BANHOSIVLWLAFF-PWSUYJOCSA-N 319.369 -0.424 30 20 DBED C[C@@H](C#N)C(=O)N(C)C[C@H]1CCCN1C(=O)Cc1nc[nH]n1 1426318857 PCWNAGIHFWBJHP-WDEREUQCSA-N 304.354 -0.044 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CCCN1C(=O)CCn1ccnn1 1429769428 WCPUTXGVIYZWLB-NWDGAFQWSA-N 304.354 -0.065 30 20 DBED CO[C@H]1CS(=O)(=O)C[C@@H]1NS(=O)(=O)CC(C)(C)C#N 1434581855 ANSYUBSAXSLSRG-IUCAKERBSA-N 310.397 -0.732 30 20 DBED COc1c(C(=O)N2CC(NC(=O)[C@H](C)C#N)C2)c(C)nn1C 1456391692 GFXLKXVXJVBPNB-MRVPVSSYSA-N 305.338 -0.163 30 20 DBED CCN(CCC#N)C(=O)CN[C@H](C)[C@@H]1CN(C(C)=O)CCO1 1485630566 IWSDHRWTSMUOLG-OCCSQVGLSA-N 310.398 -0.026 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CCN(C(=O)c2ccn(C)c(=O)c2)C1 1493362855 QYGDESFUSGBRMO-CMPLNLGQSA-N 302.334 -0.124 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)[C@@H](C)S(C)(=O)=O)C1 1494071993 RRCBKIPSOPNOJO-ZYUZMQFOSA-N 301.368 -0.657 30 20 DBED C#CCNCC(=O)N[C@@H](C)c1cccc(S(=O)(=O)NC)c1 1521313356 QMOQKLGIHTUQBD-NSHDSACASA-N 309.391 -0.005 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@@H](N(C)C(=O)CNC(=O)O)C1 1573311377 NVIHRGYPAGJOOD-GHMZBOCLSA-N 311.338 -0.648 30 20 DBED C#Cc1ccc(C(=O)N2CC(NC(=O)[C@@H]3C[C@@H]3C(=O)O)C2)cn1 1573312174 NRVDBSWPGGDYIH-OLZOCXBDSA-N 313.313 -0.276 30 20 DBED C=CC(C)(C)C(=O)N(CCO)CCNC(=O)[C@@H]1C[C@@H]1C(=O)O 1573345345 QAGOYXNGZJWPRX-MNOVXSKESA-N 312.366 -0.144 30 20 DBED C#CCN(C)c1nnc([C@@H]2COCCN2)n1CC(=O)N(C)CC 1574614484 CQFQNEXLLGUHII-LBPRGKRZSA-N 320.397 -0.513 30 20 DBED CC#CCNCCCNC(=O)[C@@H]1CCCN1Cc1cnn[nH]1 1575123233 PKSMOBDARREDJJ-AWEZNQCLSA-N 304.398 -0.112 30 20 DBED C#C[C@H]1COCCN1S(=O)(=O)c1csnc1C(=O)O 1588384240 ZWFUAKZEWGUEAH-ZETCQYMHSA-N 302.333 -0.136 30 20 DBED C#CC[C@@H](COC)NC(=O)C(=O)Nc1c(C(=O)O)cnn1C 1588395317 SGGNQVOTCOQJNG-QMMMGPOBSA-N 308.294 -0.789 30 20 DBED C#CCn1ccc(CN(CCOC)C(=O)COCC(=O)O)n1 1588433530 SOMQTABPTVPRGT-UHFFFAOYSA-N 309.322 -0.408 30 20 DBED C=C[C@H](C(=O)O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1588663453 NIGAXQJIOSWVLM-VXGBXAGGSA-N 318.395 -0.248 30 20 DBED C=CCOCC(=O)NC[C@H](C)N=c1cc[nH]cc1-c1nn[nH]n1 1588673885 CKSJPGJVSQTAMJ-JTQLQIEISA-N 317.353 -0.197 30 20 DBED C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)N(CC#N)CCC(=O)O 1589356101 FJVJYRJKQPJSKR-QWRGUYRKSA-N 310.354 -0.601 30 20 DBED CCn1ccc(CC(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[nH]2)n1 1590957912 BVERNTAPFFIHQJ-UHFFFAOYSA-N 312.297 -0.141 30 20 DBED CSc1nc(O)c(C(=O)NCC#CCO)cc1-c1nn[nH]n1 1591703248 FKNUXBHJMSYNJU-UHFFFAOYSA-N 320.334 -0.585 30 20 DBED Cc1ncc(S(=O)(=O)N2CCN(CC#N)CC2)cc1C(=O)O 1600746041 XIIYWWUFDMBBHK-UHFFFAOYSA-N 324.362 -0.082 30 20 DBED N#C[C@H]1CC[C@@H](NC(=O)C(=O)N2CCC([C@@H](O)C(=O)O)CC2)C1 1601079029 CTWFKCYSZNKAHX-MVWJERBFSA-N 323.349 -0.521 30 20 DBED N#Cc1cc(CS(=O)(=O)N2CC(O)(C(=O)O)C2)cs1 1601087678 YXDGPMFXIVHHBG-UHFFFAOYSA-N 302.333 -0.419 30 20 DBED CCCc1nc(Cn2c(N)nc(C#N)c2-c2nn[nH]n2)no1 1609218080 GRGTZOJPJASRHV-UHFFFAOYSA-N 300.286 -0.099 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)Cc2cnn(CC)c2)C1 1698548599 URMYDKMMIPYXEO-AWEZNQCLSA-N 319.409 -0.062 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)c2cnc3n2CCC3)C1 1714997900 NQWVQQZXTPCTIN-LBPRGKRZSA-N 317.393 -0.064 30 20 DBED CCN1CCO[C@@H](C(=O)NC[C@@H](NCC#CCOC)C2CC2)C1 1752498866 FTVQTXLLSLAORL-HZPDHXFCSA-N 323.437 -0.159 30 20 DBED Cn1[nH]c(CN2CC[C@H](CNC(=O)C#CC3CC3)C2)nc1=O 1753125732 VKKXDLODHGAWJT-GFCCVEGCSA-N 303.366 -0.540 30 20 DBED Cc1c[nH]nc1C(=O)NCCN(CC(=O)NCC#N)C1CC1 1753152774 HUARMKGHEFWAOC-UHFFFAOYSA-N 304.354 -0.448 30 20 DBED C=CCN1CC[C@@H](N[C@@H](CC)CNC(=O)c2cnon2)C1=O 1753491369 RXWCMZBSGSGTMX-WDEREUQCSA-N 307.354 -0.046 30 20 DBED CC(C)[C@@H](CNC(=O)c1ncccc1O)NCC(=O)NCC#N 1753828113 CQDDTYJRTCRJGZ-LLVKDONJSA-N 319.365 -0.229 30 20 DBED CN(CCN(C)[C@H]1CCC(=O)NC1=O)C(=O)c1cc(C#N)c[nH]1 1753849735 LKTFNZFXMLZIBY-LBPRGKRZSA-N 317.349 -0.305 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCC[C@@H]1CNCc1nnn(C)n1 1753884381 HRUUBKPMKQYJHT-CHWSQXEVSA-N 320.397 -0.376 30 20 DBED C#CCOCCC(=O)NCC1(N[C@@H]2CCCN(C)C2=O)CC1 1754513911 JHEKDNXZJUPWQV-CYBMUJFWSA-N 307.394 -0.115 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)N1CCC[C@H]1CNCCO 1754622580 XQFLHMUSWLHGMB-LBPRGKRZSA-N 312.414 -0.177 30 20 DBED C#CCCN1CC[C@H](N2CCN(C(=O)[C@@H](C)NC(C)=O)CC2)C1 1754661324 BVHQUWDTBPAHMF-ZBFHGGJFSA-N 320.437 -0.247 30 20 DBED C[C@@]1(CNCC(=O)NCC#N)CCN(C(=O)[C@H]2CCCO2)C1 1754686596 GOEYDHKQGCELPT-DOMZBBRYSA-N 308.382 -0.367 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC(O)(CNC(=O)/C=C\C(C)(C)C)C1 1754764492 FBVXCCOOMFZXTB-MEJMFZKBSA-N 321.421 -0.111 30 20 DBED C#CCCN1CCC[C@](CO)(NC(=O)CN2CCOCC2)C1 1754853748 GJXMZQZHNUASHF-INIZCTEOSA-N 309.410 -0.715 30 20 DBED C#CCCN1CCOC[C@@H]1CNC(=O)[C@]1(C)CCNC(=O)C1 1754968278 ACPQCDPFGOUNHW-XJKSGUPXSA-N 307.394 -0.257 30 20 DBED C[C@H]1C[C@@H](NC(=O)c2ncc[nH]2)CCN1CC(=O)NCC#N 1755159831 KBEOZCIGKUGROM-QWRGUYRKSA-N 304.354 -0.368 30 20 DBED CN(CC(=O)NCC#N)C[C@H]1CCCN1C(=O)c1cc[nH]n1 1755188845 DHEURHIXSFIWFD-LLVKDONJSA-N 304.354 -0.414 30 20 DBED C#CCOCCC(=O)N1CCC[C@@H]1CN(C)[C@@H]1CCNC1=O 1755193101 RLZHUEGALJNJPR-ZIAGYGMSSA-N 307.394 -0.162 30 20 DBED CC(C)C#CC(=O)N1CCO[C@@H]([C@H](C)NCc2nnn(C)n2)C1 1755442352 QFQPNNQDQOCVHI-QWHCGFSZSA-N 320.397 -0.425 30 20 DBED CCCN1CCC[C@H]1C(=O)NC[C@@H](CO)NCC#CCOC 1755630628 NQLLYAKFIDYUAK-GJZGRUSLSA-N 311.426 -0.423 30 20 DBED COCC#CCN[C@H](CO)CNC(=O)c1nc(C)c(C)nc1O 1755632892 ZFNGOOVVRUTJQG-LBPRGKRZSA-N 322.365 -0.871 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)Cc2cnc(C)o2)[C@@H]1C 1755653490 GCQKISQIPVWDAF-BXUZGUMPSA-N 318.377 -0.146 30 20 DBED CCCN(C)CC(=O)N1C[C@@H](NCC(=O)NCC#N)C[C@@H]1C 1755688906 LJVDTAPABWTTTH-STQMWFEESA-N 309.414 -0.453 30 20 DBED C#CCCN[C@@H]1C[C@H](C)N(C(=O)CN2CCC(=O)NC2=O)C1 1755691020 RSWAPTSPHAWQJA-NWDGAFQWSA-N 306.366 -0.469 30 20 DBED C#CCOCCC(=O)NC[C@@H](C)N(C)C(=O)C1CN(C(C)=O)C1 1756027554 RZWICCZMEMLKHA-GFCCVEGCSA-N 323.393 -0.532 30 20 DBED C#CCOCCC(=O)NC[C@H]1CN(C(=O)CC(N)=O)CC[C@H]1C 1756806372 YGOCKYBNUSPJDQ-OLZOCXBDSA-N 323.393 -0.498 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)c2ccccn2)C[C@H]1O 1756985997 ZFMYIXIBARLWIX-CHWSQXEVSA-N 305.334 -0.414 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(C(=O)CSC)C[C@H]1O 1756997234 KMEHQMODBXXCGH-GHMZBOCLSA-N 300.380 -0.923 30 20 DBED N#CCSCC(=O)N[C@@H]1CN(C(=O)c2cc[nH]c2)C[C@@H]1O 1757155531 KSJQQUANOAFYOS-MNOVXSKESA-N 308.363 -0.427 30 20 DBED C=CCCOCC(=O)N(C)C[C@@H]1CCN1C(=O)[C@H]1CCC(=O)N1 1757294519 KGIGYJBFQHDIGL-QWHCGFSZSA-N 323.393 -0.083 30 20 DBED C=C(Cl)Cn1nnnc1N1CCC[C@@H](S(=O)(=O)NC)C1 1771993671 DJALECYDADEJCY-SECBINFHSA-N 320.806 -0.056 30 20 DBED O=C(Cn1cncn1)N1CC2(CCCN2C(=O)C#CC2CC2)C1 1841540594 ZDSRZFMCIKMPAQ-UHFFFAOYSA-N 313.361 -0.105 30 20 DBED CCN(CC#N)C(=O)c1cc(C)c2c(=O)n(C)c(=O)n(C)c2n1 78090805 PYWCXYHTAPYBMT-UHFFFAOYSA-N 315.333 -0.074 30 20 DBED COCCCS(=O)(=O)N1CCC(OS(C)(=O)=O)CC1 95882101 ZNJHDEVCYYYDAB-UHFFFAOYSA-N 315.413 -0.207 30 20 DBED N#Cc1cc(F)ccc1S(=O)(=O)N1CCN(CCO)CC1 156212230 CHTFZELSISBCHV-UHFFFAOYSA-N 313.354 -0.004 30 20 DBED N#Cc1ccc(NC(=O)C(=O)N2CCN(CCO)CC2)c(F)c1 186292959 NYACALZCWVOENX-UHFFFAOYSA-N 320.324 -0.228 30 20 DBED C/N=C(/NCCN1CCN(C(C)=O)CC1)N(C)Cc1ccon1 261824536 UVXVDPXDEGXLMC-UHFFFAOYSA-N 322.413 -0.154 30 20 DBED CC[C@H]1CN(/C(=N\C)NCCNS(C)(=O)=O)CCS1 261927663 LDZVMWXMRAUOMO-JTQLQIEISA-N 308.473 -0.062 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CC(C)(C)OC2=O)C1=O 269934770 QDYAEOCOUKDZRT-QMMMGPOBSA-N 323.305 -0.827 30 20 DBED Cc1ccc(C#N)cc1S(=O)(=O)NC[C@H]1CC(C(N)=O)=NO1 275826934 BUGVARYNWBPHJV-SNVBAGLBSA-N 322.346 -0.225 30 20 DBED COc1ccc(C#N)cc1NC(=O)C(=O)N1C[C@@H](O)C[C@H]1CO 275936245 AKIKWUXQVWOAPZ-QWRGUYRKSA-N 319.317 -0.541 30 20 DBED C#CCN(CC#N)C(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 281017702 AGKIDAIJBSXILJ-FPQZTECRSA-N 301.302 -0.866 30 20 DBED Cc1nsc(N2CCN(C(=O)Cn3cnnn3)CC2)c1C#N 288154840 OUGTYUBSZGBTNW-UHFFFAOYSA-N 318.366 -0.342 30 20 DBED N#Cc1cncc(S(=O)(=O)NC[C@@H](CO)[C@@H]2CCOC2)c1 290129124 LNGUVEIDKPNILS-NEPJUHHUSA-N 311.363 -0.123 30 20 DBED CN1CCO[C@H]2CN(C(O)=Nc3ccc(C(N)=O)nc3)C[C@H]21 329132428 PFXJHRNBEPGDCV-NEPJUHHUSA-N 305.338 -0.259 30 20 DBED CC(C)N1CC[C@H](N/C(O)=N/CC2(O)CCN(C)CC2)C1=O 329605748 ZLAUBMXFBAXSIV-LBPRGKRZSA-N 312.414 -0.044 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@@H]1CN(C)CCN1C 330386643 MGXLZYLAGLGKFE-CHWSQXEVSA-N 317.459 -0.452 30 20 DBED CC(C)[C@@](C)(C#N)NC(=O)CN1CC[C@H](S(N)(=O)=O)C1 330471835 OOFBHABHERQBGJ-CMPLNLGQSA-N 302.400 -0.596 30 20 DBED C[C@H]1CS(=O)(=O)CCN1S(=O)(=O)N(C)C[C@@H](C)C#N 337076133 SEYNTZVLKLNJPY-UWVGGRQHSA-N 309.413 -0.558 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)NCc1nc(N(C)C)no1 337797135 FYJJOPHORVXWMQ-QMMMGPOBSA-N 302.360 -0.296 30 20 DBED Cn1nc(C(=O)NCCn2cnc(C#N)n2)c(=O)c2ccccc21 342872084 AGCKZAPFCDECAJ-UHFFFAOYSA-N 323.316 -0.173 30 20 DBED N#CCNC(=O)CNC(=O)CN1C(=O)c2ccccc2C1=O 343523678 UOWHVWWYJPKSPI-UHFFFAOYSA-N 300.274 -0.961 30 20 DBED CN(C)CCOCCNC(=O)CNC(=O)c1ccc(C#N)cc1 345932160 NKZGVGUBCZDCDB-UHFFFAOYSA-N 318.377 -0.018 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCCc2cscn2)C1=O 347499526 OHIBOZZKWRWEAG-UHFFFAOYSA-N 322.346 -0.221 30 20 DBED CNC(=O)NCC(=O)N1CCCN(c2ncccc2C#N)CC1 363150676 UOPRTKKSDLCTQS-UHFFFAOYSA-N 316.365 -0.079 30 20 DBED C=CCCCC(=O)N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 370065219 AWWPEXDIUFPOEX-QWHCGFSZSA-N 316.423 -0.043 30 20 DBED CS(=O)(=O)CC1(CNC(=O)N2CCO[C@@H](C#N)C2)CC1 408342710 YYFXJUQAEZPLHR-JTQLQIEISA-N 301.368 -0.255 30 20 DBED C[C@@H](CN)NC(=O)C(=O)N1CCN(c2ccccc2C#N)CC1 420020137 RSHIWYFDDMSNRP-LBPRGKRZSA-N 315.377 -0.330 30 20 DBED C=CCn1cc(CNC(=O)Cn2cc(C(=O)OC)nn2)nn1 424907437 JGQKSCPEWZHESC-UHFFFAOYSA-N 305.298 -0.841 30 20 DBED CN(C)S(=O)(=O)c1cccc(NC(=O)C(=O)NCCC#N)c1 427853748 PDWUGBUXDADLIO-UHFFFAOYSA-N 324.362 -0.095 30 20 DBED C[C@H](CNC(=O)C(=O)Nc1ccn(CCC#N)n1)N(C)C1CC1 444582578 PFHORCWPJBASFD-LLVKDONJSA-N 318.381 0.334 30 20 DBED C#CCNC(=O)CN1CCN(CCO[C@H]2CCCCO2)CC1 491325340 BSPQAYQFXXDCJA-INIZCTEOSA-N 309.410 -0.103 30 20 DBED CC(C)[C@@](C)(C#N)NC(=O)CN1C(=O)N[C@@]2(CCCNC2)C1=O 564925703 BEULXHRWCXWDJO-HUUCEWRRSA-N 321.381 -0.285 30 20 DBED CC(C)(C#N)CCS(=O)(=O)N(CCO)CCOCCO 577508394 HTQYLTXULRWBKA-UHFFFAOYSA-N 308.400 -0.441 30 20 DBED COC(=O)[C@@H]1C[C@@H](O)CN(S(=O)(=O)CCCCC#N)C1 592120150 YHAROLLDIFYTCA-GHMZBOCLSA-N 304.368 -0.134 30 20 DBED C[C@H](C#N)N(CCn1cnc2c1c(=O)n(C)c(=O)n2C)C1CC1 595712193 HTDKNBNCXQBQMM-SNVBAGLBSA-N 316.365 -0.190 30 20 DBED CCN(C(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)[C@H](C)C#N 598360301 VAWRCHQXSIXBRC-AIPRNEOBSA-N 305.334 -0.091 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N2CCC[C@@H](CCO)C2)CCO1 619710450 QJYBYABPQBANJB-NWDGAFQWSA-N 303.384 -0.450 30 20 DBED C=CCNC(=O)CN1CCN(CC(=O)NCC=C)[C@H](C)[C@@H]1C 662224333 WWIUTSSJASTSCW-OKILXGFUSA-N 308.426 -0.015 30 20 DBED CN(CCC#N)S(=O)(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 726186636 FGFDUIDPXHAZNY-VXGBXAGGSA-N 302.400 -0.471 30 20 DBED N#C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CCO1 737682401 HXYZBXSKEKNYHC-MRVPVSSYSA-N 302.254 -0.101 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCN(CC[S@@](C)=O)CC1 741297819 VOOOVLLCWZYLPR-LHSJRXKWSA-N 311.451 -0.393 30 20 DBED CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)OC(=O)C(C)(CO)CO 754866984 YHSLHSOHVSBHEA-QMTHXVAHSA-N 300.355 -0.037 30 20 DBED COCC(=O)N(C)CC(=O)OCC(=O)N[C@@](C)(C#N)C1CC1 758784429 GLYKARCCZJRKEJ-AWEZNQCLSA-N 311.338 -0.557 30 20 DBED CCOC(=O)[C@@H]1CSCCN1C(=O)Cn1cnc(C#N)n1 769103535 UUZIKJKYZJESAQ-VIFPVBQESA-N 309.351 -0.343 30 20 DBED CSCC[C@@H]1NC(=S)N(CCn2cnc(C#N)n2)C1=O 794682213 UDZJCWDWPGPPSF-QMMMGPOBSA-N 310.408 -0.012 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CC[C@@](C)(C(N)=O)C1)[C@H]1CCCO1 809308669 MWSQXDKVEUEHGJ-FIXISWKDSA-N 307.350 -0.993 30 20 DBED N#CCNC(=O)COC(=O)c1c(F)cc(-c2nn[nH]n2)cc1F 822811308 VLBKUEXKXFRWFP-UHFFFAOYSA-N 322.231 -0.059 30 20 DBED COc1cc(C#N)ccc1C(=O)NN1CCS(=O)(=O)CC1 827150556 NZCKJPKLYGHBLJ-UHFFFAOYSA-N 309.347 -0.058 30 20 DBED C=CCN(CC(=O)O)S(=O)(=O)c1cnn2c1OCCC2 830042954 BUBLYAWNESRZAA-UHFFFAOYSA-N 301.324 -0.073 30 20 DBED C=CCN(C)C(=O)C(=O)N1C[C@H](C(=O)OCC)C2(COC2)C1 839231583 YWSWMSCSSZCNSW-LLVKDONJSA-N 310.350 -0.331 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[C@H]3C[C@@H]3C2)c1=O 853581749 YKCFSPKODMVAGH-QWHCGFSZSA-N 318.377 -0.157 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N1CC(S(C)(=O)=O)C1 853976774 IARITLFADRSUSJ-UHFFFAOYSA-N 310.397 -0.974 30 20 DBED C=C[C@H](C)ONC(=O)N1CCCN(C(=O)CNC(C)=O)CC1 875698829 BCSTWQSLCRTTLX-NSHDSACASA-N 312.370 -0.128 30 20 DBED C#CC1(O)CN(C(=O)c2ccc(F)c(S(=O)(=O)NC)c2)C1 890522676 FFRVYXPWSTVPQP-UHFFFAOYSA-N 312.322 -0.446 30 20 DBED C#CC1(O)CN(C(=O)NCC2CCN(S(C)(=O)=O)CC2)C1 892537924 BAHKMAPUQOBHKG-UHFFFAOYSA-N 315.395 -0.953 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)CNc2ccccn2)CC1 900560372 IZAGJRUCOXPHGV-UHFFFAOYSA-N 315.377 -0.613 30 20 DBED O=C(c1cccc(C#CCO)c1)N1CC(N2CC[C@@H](O)C2)C1 911905365 QCTVEMMRFKMLOD-MRXNPFEDSA-N 300.358 -0.079 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@H]3C=C[C@H]2O3)CC1 929570742 UMNLMFBWTJWKIW-MGPQQGTHSA-N 305.378 -0.224 30 20 DBED CC(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H](C)C#N)C1 938138948 AIEQEPMFOOJNHF-WCFLWFBJSA-N 306.366 -0.126 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](NC(=O)c2cc(C(N)=O)cn2C)C1 938352157 YRSASCDJWZFXRO-KOLCDFICSA-N 317.349 -0.386 30 20 DBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CCCN1C(=O)C(N)=O 944248157 IOMVWAUVITZMDV-AGIUHOORSA-N 323.393 -0.050 30 20 DBED C#CCCN1CC[C@H](NC(=O)Cn2c(O)nnc2O)[C@@H](C)C1 944344555 AYLWSGVPMQGEEH-QWRGUYRKSA-N 307.354 -0.461 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)C[C@@H]1C 947930726 UQGVLRBFHISAPG-QWRGUYRKSA-N 314.349 -0.367 30 20 DBED C=CCN1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)C[C@H]1C 948068998 AFQGBVBNLOGRKZ-MNOVXSKESA-N 306.370 -0.468 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2CCN2C(=O)c2cnn[nH]2)nn1 950057513 WPKWBEYDWAMDOP-SECBINFHSA-N 316.325 -0.773 30 20 DBED C=CCn1cc(C(=O)N2CC[C@@H]2CNC(=O)c2cnn[nH]2)nn1 951001179 SUIILNUSQBQWPH-SECBINFHSA-N 316.325 -0.773 30 20 DBED C=CCn1cc(C(=O)N2CCN(Cc3nncn3C)CC2)nn1 951559704 JTIDQGNMXNNQSS-UHFFFAOYSA-N 316.369 -0.449 30 20 DBED CCN(C(=O)c1cn(CC(=O)N(C)C)nn1)C1CN(CC#N)C1 957426062 XRFDIDQRKKRKLN-UHFFFAOYSA-N 319.369 -0.964 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cncc(COC)c2)C1 958155562 DCNUKTDMGSLXFE-LSDHHAIUSA-N 303.362 -0.116 30 20 DBED O=C(N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O)c1ccnc(O)c1 962211804 HZVVUJNKEVVSMO-OLZOCXBDSA-N 315.329 -0.498 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)c1cnsn1 964115727 YMOXYQWAGJXPEG-DTWKUNHWSA-N 309.351 -0.345 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CN(C(=O)c3cnccn3)CCO2)C1 965285053 JVEIXCUJGQIACP-LLVKDONJSA-N 315.333 -0.310 30 20 DBED Cc1n[nH]cc1C(=O)N[C@H]1COC2(C1)CN(C(=O)[C@@H](C)C#N)C2 965772518 UHZCQDYCNYVXNR-GXSJLCMTSA-N 317.349 -0.023 30 20 DBED CCN(C(=O)c1nc[nH]n1)C1CN(C(=O)c2ccc(C#N)[nH]2)C1 968237045 SFXXTXYRJNVYLT-UHFFFAOYSA-N 313.321 -0.009 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 970702243 NQDAFQYAUQWWJQ-KBXIAJHMSA-N 318.373 -0.321 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](N(C)CCN2C(=O)CNC2=O)C1 971210445 HNGQWIDFHSEODL-WDEREUQCSA-N 307.354 -0.769 30 20 DBED C=CCN1CCO[C@]2(CCN(C(=O)CN3CCOCC3)C2)C1 972343041 MYMVXCGWAQKJEL-MRXNPFEDSA-N 309.410 -0.192 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)CCc3cnn[nH]3)C2)C1 972561265 NECFAGSWPYWQLK-OAHLLOKOSA-N 303.366 -0.326 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H](CNC(=O)c2c[nH]c(=O)cn2)C1 975494451 DCMCNOJLZZEGIB-MNOVXSKESA-N 317.349 -0.102 30 20 DBED C=C(C)CN1C[C@@H]2C(CNC(=O)c3cnc(O)n(C)c3=O)[C@H]2C1 978602266 VVMROFFFPSMJQH-CHWSQXEVSA-N 318.377 -0.030 30 20 DBED COCCn1nc(C(=O)N2CC[C@@H](NCC#N)[C@@H]2C)ccc1=O 986512778 BUMIDQWWUHEYKG-NWDGAFQWSA-N 319.365 -0.394 30 20 DBED N#CCN1CCCN(C(=O)Cn2nc3n(c2=O)CCCC3)CC1 989430683 JBSGDJBBWHDZSD-UHFFFAOYSA-N 318.381 -0.561 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2COCCO2)C1 990286880 MFILRDFDWINFBW-HZSPNIEDSA-N 324.377 -0.290 30 20 DBED CCn1nncc1C(=O)NC1CN(C(=O)c2c[nH]c(C#N)c2)C1 991186372 VPBZZJIOKOCEHH-UHFFFAOYSA-N 313.321 -0.248 30 20 DBED COCCN1C[C@H](C(=O)N2C[C@@H](NCC#N)C(C)(C)C2)CC1=O 995874293 UBKVDMCPIWHAQE-CHWSQXEVSA-N 322.409 -0.169 30 20 DBED N#CCN1CC[C@H](n2cc(CNC(=O)c3cccnn3)nn2)C1 1000031910 CHKPFHVWJSZQQG-LBPRGKRZSA-N 312.337 -0.232 30 20 DBED C[C@H](NC(=O)[C@@H]1CN(C)CCO1)C1CN(C(=O)C#CC2CC2)C1 1005846929 AUWWLYFLILSMDE-WFASDCNBSA-N 319.405 -0.307 30 20 DBED O=C1NCCC[C@H]1C(=O)N1CCN(C(=O)C#CC2CC2)CC1 1011109872 CVMHPURXORXFLC-CYBMUJFWSA-N 303.362 -0.403 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1[C@@H]2CN(C(=O)c3nc[nH]n3)C[C@@H]12 1013817320 XODIFZWVRZJPQV-DBIOUOCHSA-N 317.349 -0.418 30 20 DBED C#Cc1ccccc1CC(=O)N(C)C1CC(NC(=O)C(N)=O)C1 1016819458 FODDOXHIZJXUFC-UHFFFAOYSA-N 313.357 -0.199 30 20 DBED C#CCN[C@H]1CCN(C(=O)Cn2nc3n(c2=O)CCCC3)C1 1019619033 UUPKKNGNWIRTGU-LBPRGKRZSA-N 303.366 -0.795 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccnn2C)C1 1023165224 UGPVPSWFXULQCT-ZYHUDNBSSA-N 306.366 -0.066 30 20 DBED C=C1CC(C)(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCC(=O)N3)C2)C1 1024931196 CCEPOZLIBRCJTO-QJPTWQEYSA-N 321.377 -0.691 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCN1Cc1nnn(C)n1 1028141320 BJXGYSNWDOKGKN-XQQFMLRXSA-N 320.397 -0.118 30 20 DBED CN1C[C@@H](C(=O)NC2CN(Cc3cccc(C#N)c3)C2)NC1=O 1030794832 AXDWDVDEPZHXCK-AWEZNQCLSA-N 313.361 -0.118 30 20 DBED C#CCCN1CCO[C@H](CNC(=O)[C@@H]2CCCN2C(C)=O)C1 1035589913 UWDNLKRRNXGDBT-CABCVRRESA-N 307.394 -0.162 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@](O)(CNC(=O)C#CC2CC2)C1 1039685254 LOOKSUWJAUIDCT-DYVFJYSZSA-N 318.373 -0.482 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)COCC(F)F)C1 1040343182 XGPFQHNQUCTVQK-TVQRCGJNSA-N 319.308 -0.493 30 20 DBED C=C(C)C[C@@H](C)C(=O)NC[C@@]1(O)CCN(C(=O)CC(N)=O)C1 1040626384 REFXRHIBMSVKKH-ABAIWWIYSA-N 311.382 -0.456 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)c2coc(C(N)=O)c2)C1 1041969088 CQPZMBREOXZNMO-UHFFFAOYSA-N 321.333 -0.352 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)c2cnc(C)n2C)C1 1041973065 PYXBUEQLMCNKRO-UHFFFAOYSA-N 306.366 -0.002 30 20 DBED CO[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1NC(=O)c1cnn[nH]1 1043025631 XSGMIWTWWBERNZ-VXGBXAGGSA-N 313.321 -0.295 30 20 DBED CCO[C@@H](C(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1)C1CC1 1043172326 IQTPYVYYUJFPEE-OAHLLOKOSA-N 320.389 -0.096 30 20 DBED C=CCn1cc(C(=O)N(C)C2CN([C@@H]3CCNC3=O)C2)nn1 1044023115 ZNABBTNSVCSSEY-GFCCVEGCSA-N 304.354 -0.891 30 20 DBED C[C@@H]1CO[C@H](C(=O)NCC2(O)CN(C(=O)C#CC3CC3)C2)C1 1044557601 NKHARPWDJVWEEW-AAEUAGOBSA-N 306.362 -0.486 30 20 DBED C=CCN[C@@H]1CCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)[C@H](C)C1 1044762777 IBAZKUGORDSLPM-GHMZBOCLSA-N 322.365 -0.438 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCC(=O)N2)C1 1047419348 IGSMLVLYYYZBNQ-WOPDTQHZSA-N 315.801 -0.089 30 20 DBED Cc1ncc2n1C[C@H](C(=O)N(C)[C@H]1CN(CC#N)C[C@@H]1O)CC2 1047501314 BOXCMXDCNKGUIT-SNPRPXQTSA-N 317.393 -0.219 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3nncn3C2)C1 1047639333 RYQYKEHAPSAELB-AVGNSLFASA-N 305.382 -0.470 30 20 DBED C=C[C@@](C)(O)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[C@H]2C)C1 1049171586 HSTLBKZMQOZGMO-XRMRDTNMSA-N 310.394 0.000 30 20 DBED C=CCC1(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)C(N)=O)C2)CCCC1 1049382778 RKUYYORJQXHQDK-RYUDHWBXSA-N 323.393 -0.362 30 20 DBED C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)C1CC(=O)NC(=O)C1 1049783708 QXBGIFGBCUAIHV-OLZOCXBDSA-N 303.362 -0.262 30 20 DBED N#CCN1CCOC[C@H]1CNC(=O)c1cnn2ccncc12 1050955396 LBPARCOIFZWYJD-LLVKDONJSA-N 300.322 -0.317 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)c1ccc(C(N)=O)nc1 1051268108 FZHIDOPQCAPQEX-GFCCVEGCSA-N 302.334 -0.756 30 20 DBED N#Cc1cncc(N2CC[C@H](NC(=O)c3ccon3)[C@@H](O)C2)n1 1051631839 LYVFTHATTVOCSC-JQWIXIFHSA-N 314.305 -0.294 30 20 DBED C[C@H]1CN(C(=O)Cn2cnnn2)C[C@H]1CNC(=O)C#CC1CC1 1051923176 VSELCPCLTNVHDY-WCQYABFASA-N 316.365 -0.703 30 20 DBED C=CCOCC(=O)N1C[C@H](CNC(=O)C2(C(N)=O)CC2)[C@@H](C)C1 1052220305 IOJMGHARGUYMTF-RYUDHWBXSA-N 323.393 -0.335 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H](C)[C@H](CNC(=O)COCC)C1 1052390759 HRJNSLOXOOSDNT-QWHCGFSZSA-N 323.393 -0.627 30 20 DBED C#CCN1CC2(C1)CN(C(=O)CCN1CCCC1=O)CCO2 1053536677 YOBTZIRFPMFNNE-UHFFFAOYSA-N 305.378 -0.455 30 20 DBED Cn1c(C(=O)NC[C@H]2CCC3(CN(CC#N)C3)O2)cnc1O 1053642625 FWZRVXIGRBBLHL-SNVBAGLBSA-N 305.338 -0.388 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)c3nc(C)c(C)[nH]c3=O)CO2)C1 1053843091 DTHWFKJUWXWDKR-LBPRGKRZSA-N 316.361 -0.407 30 20 DBED C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2COC3(C2)CN(CC#N)C3)C1 1053948008 DNUOOMRWAGXJIY-OLZOCXBDSA-N 320.393 -0.272 30 20 DBED CC(=O)N1CC[C@@H](C(=O)N[C@@H]2COC3(C2)CN(CC#N)C3)C1 1053995176 ULGQXKVOLYENGQ-OLZOCXBDSA-N 306.366 -0.662 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H]2CN(C(=O)[C@H]3C[C@H]3C)C[C@H]2C1 1055138781 NVJCJXMGYGELKF-MQYQWHSLSA-N 317.389 -0.301 30 20 DBED CN(c1cncc(C#N)n1)[C@H]1CCN(C(=O)Cn2cnnn2)C1 1056849558 IVQSIRQGKHIHPN-NSHDSACASA-N 313.325 -0.928 30 20 DBED CN(c1nccnc1C#N)[C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 1057017703 JEHONZVGCRWGFI-ONGXEEELSA-N 315.337 -0.933 30 20 DBED C=CC(C)(C)CC(=O)NCCN(CCO)C(=O)Cn1ncnn1 1057673887 UNDPAXZLSYWWIC-UHFFFAOYSA-N 324.385 -0.788 30 20 DBED N#Cc1ccc(N2CCC(NC(=O)[C@H]3COCCO3)CC2)nn1 1057840889 YNOWNKPHWWJRHK-CYBMUJFWSA-N 317.349 -0.151 30 20 DBED N#Cc1nccnc1N1CCC[C@@H](NC(=O)[C@@H]2CCC(=O)N2)C1 1058180356 ILITVAXACANOGF-MNOVXSKESA-N 314.349 -0.288 30 20 DBED Cc1nocc1C(=O)N(CCO)CCNC(=O)C#CC1CC1 1058649584 OIGCUJLTGRLJIF-UHFFFAOYSA-N 305.334 -0.053 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)c1cccc(O)n1 1058652631 BLAGSRBZRASBRZ-SNVBAGLBSA-N 306.322 -0.502 30 20 DBED CC(C)N1CCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N 1058658948 OVZHPFJXVXMMGK-KBPBESRZSA-N 324.425 -0.044 30 20 DBED CCn1ncc(C(=O)N2CC[C@H](N=c3cc[nH]c(C#N)n3)C2)n1 1058888220 HVBYAYRDEKLYGS-JTQLQIEISA-N 312.337 -0.292 30 20 DBED CC(=O)N(C)CC(=O)NC[C@H]1COCCN1C(=O)C#CC1CC1 1061321263 AKWOTRUMTVFJQI-AWEZNQCLSA-N 321.377 -0.778 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)CNC(=O)C1CC1 1061345525 IJTODCOFDBAEQQ-ZYHUDNBSSA-N 322.365 -0.984 30 20 DBED C=CCOCC(=O)NCC1(NC(=O)[C@H]2CCC(=O)N2C)CCC1 1062704603 QYVPVDXONWUEIU-GFCCVEGCSA-N 323.393 -0.035 30 20 DBED CN(C(=O)[C@H]1CCNC1=O)[C@@H]1CCN(c2ccnc(C#N)n2)C1 1063004242 CGYQMGHSDVMSOF-MNOVXSKESA-N 314.349 -0.479 30 20 DBED C=CCCC(=O)NC1(CNC(=O)[C@@H]2CC(=O)NC(=O)N2)CCC1 1063069777 ZFPUVLFDGDBYFX-JTQLQIEISA-N 322.365 -0.294 30 20 DBED N#Cc1nccc(N2CCO[C@H](CNC(=O)c3cnon3)C2)n1 1063639812 UOLIFBRDJHNYRR-SECBINFHSA-N 315.293 -0.634 30 20 DBED C=C[C@@](C)(O)CC(=O)NC1(CNC(=O)C2(C(N)=O)CC2)CCC1 1064285050 DZOHZLYQNQTWAD-CQSZACIVSA-N 323.393 -0.266 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)[C@@H]2COCCN2C)CCC1 1064302056 CCCBJADBOANMLF-NEPJUHHUSA-N 308.382 -0.368 30 20 DBED Cc1ncc(C(=O)N2CCO[C@@H](CNC(=O)[C@@H](C)C#N)C2)[nH]1 1064978641 WRLYDPCTABLHGE-ONGXEEELSA-N 305.338 -0.165 30 20 DBED Cc1cc(=NC[C@]2(C)CCN(C(=O)C(N)=O)C2)c(C#N)c[nH]1 1065479553 JRYFIMSQOVDFAZ-HNNXBMFYSA-N 301.350 -0.181 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)C2(C(N)=O)CC2)CCO1 1065544280 PNNAVRKKUJFATG-GFCCVEGCSA-N 321.377 -0.745 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@H](CNC(=O)CCn2cncn2)C1 1065557911 WURJBFIMZIVREU-VXGBXAGGSA-N 320.353 -0.829 30 20 DBED C#CCNC(=O)CC(=O)N(C)CCCN(C)C(=O)c1cnco1 1067239780 KRLHHMFNJSSFND-UHFFFAOYSA-N 320.349 -0.265 30 20 DBED N#Cc1cncc(N2C[C@@H](O)[C@H](CNC(=O)c3cocn3)C2)n1 1067657309 ZTMXDDGDHQOCOX-BXKDBHETSA-N 314.305 -0.437 30 20 DBED N#Cc1nccc(N2C[C@@H]3CC[C@@H](NC(=O)C(N)=O)C[C@H]3C2)n1 1068266485 KTAVQSKFJUFUHG-GARJFASQSA-N 314.349 -0.445 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CCC2(CN(C(=O)CCN(C)C)C2)O1 1068623095 QVCZLDRGRLFXJB-STQMWFEESA-N 322.409 -0.026 30 20 DBED C=C[C@](C)(O)CC(=O)NC1(CC)CCN(C(=O)C(N)=O)CC1 1069578504 VIQUWLFVJTWKEL-AWEZNQCLSA-N 311.382 -0.314 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2c[nH]nc2CC)C[C@@H]1n1ccnn1 1070223984 HBZSYPFYYJATJR-KGLIPLIRSA-N 313.365 -0.148 30 20 DBED C=CCN1C[C@H]2C[C@@H]3CN(C(=O)Cn4cnnn4)C[C@@]3(C1)O2 1070757308 OMPNWKFCVZVWHR-YRGRVCCFSA-N 304.354 -0.839 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CCCN(C(=O)C(=O)NCC(F)F)C1 1070947549 AZYPRGMJICVMEE-DTWKUNHWSA-N 316.308 -0.365 30 20 DBED C[C@H]1CN(C(=O)Cn2cnnn2)C[C@H]1NC(=O)C#CC(C)(C)C 1071556776 MFGINVPELUYQPG-NWDGAFQWSA-N 318.381 -0.314 30 20 DBED CNC(=O)CC(=O)N[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C 1071874334 IPOHYHXYCYIWMS-SKDRFNHKSA-N 317.349 -0.401 30 20 DBED C[C@H]1CC[C@@H](NC(=O)c2cn(C)c(=O)nc2O)CN1CC#N 1072070113 NNPRWXUVWGAZAC-VHSXEESVSA-N 305.338 -0.408 30 20 DBED CC#CCN1CCCO[C@H](CNC(=O)C2CS(=O)(=O)C2)C1 1073620965 SPGOWCJSBLASLL-CYBMUJFWSA-N 314.407 -0.739 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(C(=O)c2ncn(C)n2)C[C@@H]1C 1073819796 JPHPVBLAWOMLAA-NWDGAFQWSA-N 321.381 -0.016 30 20 DBED C#CCOCCC(=O)N1CC[C@H](NC(=O)c2nc[nH]n2)[C@H](C)C1 1074107883 XGYANJFDNNAAPA-NEPJUHHUSA-N 319.365 -0.189 30 20 DBED C=CCCN1CCO[C@@H]2CCN(C(=O)CCn3cnnn3)C[C@@H]21 1074368108 ABIUIIUXZBVKAD-UONOGXRCSA-N 320.397 -0.059 30 20 DBED C[C@H](C#N)C(=O)N1CCC(O)(CNC(=O)c2cn(C)cn2)CC1 1074704829 JCDAZUBIDUEDIM-LLVKDONJSA-N 319.365 -0.337 30 20 DBED C#CCO[C@H](C)C(=O)NCC[C@H](C)NC(=O)c1cnnc(O)c1 1076510615 QECBSCAHWNUUQE-WDEREUQCSA-N 320.349 -0.155 30 20 DBED C#CCOCCC(=O)N[C@@H](C)CCNC(=O)[C@@H]1CC(=O)N(C)C1 1076891904 IQZDQYWAUMMULA-QWHCGFSZSA-N 323.393 -0.484 30 20 DBED CC(C)Oc1cnc(C(=O)N[C@@H]2CN(CC#N)C[C@H]2O)cn1 1076994639 NOKAFOXSQHQYDJ-VXGBXAGGSA-N 305.338 -0.438 30 20 DBED C[C@@H](CCNC(=O)[C@H](C)C#N)NC(=O)CCCCNC(N)=O 1078133213 DBNJTMRRJHTVSH-MNOVXSKESA-N 311.386 -0.004 30 20 DBED C#CCNC(=O)CC(=O)N1CC(N(CC)C(=O)C[C@H](C)OC)C1 1079458346 ISZZSIHJLXYXHH-LBPRGKRZSA-N 323.393 -0.390 30 20 DBED C#CCOCCC(=O)N(CC)C1CN(C(=O)CNC(=O)NC)C1 1079775009 QSVPPAXKYABROE-UHFFFAOYSA-N 324.381 -0.985 30 20 DBED C=CCCC(=O)N1CCC(CO)(NC(=O)[C@H]2C[C@H]2C(N)=O)CC1 1081004411 BHYHJIUNKZEFCV-NEPJUHHUSA-N 323.393 -0.456 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2[nH]cnc2C)C[C@@H]1O 1081341277 OQXPSSFUEWXDPW-RYUDHWBXSA-N 322.365 -0.530 30 20 DBED C=CCOCC(=O)N1C[C@H](CNC(=O)C2=CCOCC2)[C@@H](O)C1 1081428669 UBYHANPTXMMDAN-KBPBESRZSA-N 324.377 -0.529 30 20 DBED C=CCN1C[C@@H](NC(=O)[C@@H]2CCCCS2(=O)=O)[C@H](OC)C1 1081792702 AAMKZZUPMPCBQQ-UPJWGTAASA-N 316.423 -0.045 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@H]2CCc3nccn3C2)[C@H](OC)C1 1081867572 ZHLLHNQRTGQPJG-BFHYXJOUSA-N 302.378 -0.106 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1ccnc2ccnn12 1083103226 UBIWNLZUZUSVTJ-UONOGXRCSA-N 311.345 -0.112 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCc3ncncc3C2)C1 1083516896 BXJUTNKXTQWARY-WQVCFCJDSA-N 314.389 -0.234 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)c2ccc3c(n2)OCCO3)C1 1083602990 YWAVZBOGSNKYHU-NEPJUHHUSA-N 305.334 -0.186 30 20 DBED CCc1nc2c(C(=O)N[C@@H]3CN(CC#N)C[C@@H]3O)ccnc2[nH]1 1083663650 GBOMVQNAOUKKKU-MNOVXSKESA-N 314.349 -0.181 30 20 DBED C#CCN1C[C@H]2CC[C@H]1[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@@H]21 1087338330 GXMOSFPEQXWHEH-RQJABVFESA-N 310.419 -0.167 30 20 DBED C[C@@H](C[C@H](C)NC(=O)c1nnn(C)n1)N=c1cc[nH]cc1C#N 1089447062 CWFOTGGOEIQJPM-UWVGGRQHSA-N 314.353 -0.092 30 20 DBED Cc1nc(C)c(CC(=O)N[C@@H]2CCN(CC#N)C[C@@H]2O)c(O)n1 1090804385 IAAOBIOYQYWGPC-OLZOCXBDSA-N 319.365 -0.583 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2cc(N(C)C)ccn2)[C@H](O)C1 1090840445 ZSAGMQQUKCAVET-UKRRQHHQSA-N 302.378 -0.054 30 20 DBED CC(C)OCC(=O)N[C@@H]1CCN(c2ccc(C#N)nn2)C[C@@H]1O 1092143830 UYVAJFIGGFCLDB-OLZOCXBDSA-N 319.365 -0.171 30 20 DBED C#CCN1CC(OC2CCN(C(=O)CCn3ccnn3)CC2)C1 1093529959 OLCGMSPURCWESB-UHFFFAOYSA-N 317.393 -0.007 30 20 DBED C[C@H](CS(C)(=O)=O)C(=O)NCCNc1ccc(C#N)nn1 1093680657 CIRGWBMNLBFVDA-SECBINFHSA-N 311.367 -0.443 30 20 DBED COC(=O)[C@@H]1C[C@H]1C(=O)NCc1cn(C2CN(CC#N)C2)nn1 1094279638 OXYURHDZDVBXTC-VXGBXAGGSA-N 318.337 -0.916 30 20 DBED N#CCN1CC(N2C[C@H](NC(=O)c3cncs3)CC2=O)C1 1094711070 BABSSRDTMUIXPO-SECBINFHSA-N 305.363 -0.318 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)c3cc(C)[nH]n3)CC2=O)C1 1094711468 FYTYJMWMRQYJPM-NSHDSACASA-N 301.350 -0.634 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)c3ccc(F)nc3)CC2=O)C1 1094714687 ZXMFJFARYGDPJS-GFCCVEGCSA-N 316.336 -0.131 30 20 DBED CNC(=O)NCC(=O)N1CC[C@H](N(C)c2cnc(C#N)cn2)C1 1095156585 LRKWZEIBBSVUNV-NSHDSACASA-N 317.353 -0.686 30 20 DBED CC(=O)NCC(=O)N1CCC[C@@H](CN=c2cc[nH]c(C#N)n2)C1 1097353793 ZJRAKFUWWRXIBH-LBPRGKRZSA-N 316.365 -0.443 30 20 DBED C[C@@H](CNC(=O)CCCn1ccnn1)N=c1cc[nH]c(C#N)n1 1098094446 FXESVAWYGWRGLG-NSHDSACASA-N 314.353 -0.241 30 20 DBED C=CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1C(=O)CN(C)C1=O 1098346749 AEBFSFFIPUWTGH-UTUOFQBUSA-N 306.366 -0.212 30 20 DBED C#CCN(CCO)C1CCN(C(=O)[C@]2(COC)CCOC2)CC1 1098442883 ROWYETMAYCBVIJ-KRWDZBQOSA-N 324.421 -0.042 30 20 DBED CN(c1ccc(C#N)nn1)[C@H]1CCCN(C(=O)CNC(N)=O)C1 1098681947 YOBURRQZOWMYIP-NSHDSACASA-N 317.353 -0.556 30 20 DBED C[C@H](CCNC(=O)Cn1nccn1)Nc1cnc(C#N)cn1 1099536806 ODRPAHNFJWJSOI-SNVBAGLBSA-N 300.326 -0.053 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCN(Cc2ccon2)C[C@H]1O 1099832891 OFMRQYIPMRZODK-ZIAGYGMSSA-N 307.350 -0.234 30 20 DBED C#CCN1CC[C@@H](NC(=O)CCCCc2cnn[nH]2)[C@@H](O)C1 1099933493 PGBXTAYHOVVPSQ-KGLIPLIRSA-N 305.382 -0.298 30 20 DBED Cc1cc(C#N)nc(N(C)CCNC(=O)[C@@H]2COCCN2C)n1 1100028548 XSSKIPHNXRSINY-ZDUSSCGKSA-N 318.381 -0.460 30 20 DBED CC(C)CCC(=O)NCC(=O)N[C@H]1CCN(CC#N)C[C@H]1O 1100037170 VIYCZMGKLZBLKC-QWHCGFSZSA-N 310.398 -0.386 30 20 DBED C#CCNC(=O)[C@H](C)NC1CC(CNC(=O)c2cnnn2C)C1 1100290514 BXUUQBQFLPBKQZ-UNXYVOJBSA-N 318.381 -0.949 30 20 DBED C[C@H]1CC(=O)N[C@@H](C(=O)NCCN(C)c2cnc(C#N)cn2)C1 1100363676 RFXILEMMKKNJEX-ZYHUDNBSSA-N 316.365 -0.185 30 20 DBED CCN(CCNC(=O)Cn1ncnn1)c1ccncc1C#N 1100624822 CUTDQBVNZUEHEZ-UHFFFAOYSA-N 300.326 -0.418 30 20 DBED C=CCNC(=O)CNC1CC(CNC(=O)C[C@@H]2CCC(=O)N2)C1 1100753626 JMHJRAQCGWASEI-CPCZMJQVSA-N 322.409 -0.558 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)C(=O)NCC1CC1 1104065959 MHWOLRKEUNLZGZ-JTQLQIEISA-N 316.365 -0.539 30 20 DBED C[C@@H](CNc1ccc(C#N)nn1)N(C)C(=O)[C@@H]1CCC(=O)N1 1104642422 CPGHYTFBZWJHCT-ONGXEEELSA-N 302.338 -0.114 30 20 DBED C[C@H](CNc1nccnc1C#N)N(C)C(=O)[C@@H]1CCNC1=O 1104763490 HPRBMNFBUSZTCP-NXEZZACHSA-N 302.338 -0.257 30 20 DBED CC(C)[C@@H](CNC(=O)CCNC(N)=O)N=c1cc[nH]cc1C#N 1105182746 RJJAISVLEHPUFS-CYBMUJFWSA-N 318.381 -0.014 30 20 DBED Cc1ncc(C(=O)N2CC(n3cc(CNCC#N)nn3)C2)[nH]1 1105189729 KRJAUQOAAHIDBU-UHFFFAOYSA-N 300.326 -0.380 30 20 DBED CC(=O)N[C@H](C)C(=O)N(C)CCN(C)c1ccc(C#N)nn1 1105319409 LMSRVMHXJDMEMQ-SNVBAGLBSA-N 304.354 -0.233 30 20 DBED CCCC(=O)NCC(=O)NC[C@@H](O)CNc1ncccc1C#N 1105728589 YCBOIGWJKXSEJN-GFCCVEGCSA-N 319.365 -0.241 30 20 DBED Cn1ccc(CC(=O)NC[C@@H](O)CNc2ncccc2C#N)n1 1105819416 XYDOCJKFOAUGNZ-CYBMUJFWSA-N 314.349 -0.182 30 20 DBED N#Cc1nc(=NC[C@H](O)CNC(=O)C[C@@H]2CCCOC2)cc[nH]1 1105859165 YWCFRIKMICTPDZ-RYUDHWBXSA-N 319.365 -0.524 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H](O)CNc1cnc(C#N)cn1 1105970587 JZDBKNLEFSYLBR-JQWIXIFHSA-N 303.322 -0.724 30 20 DBED C[C@@H]1CN(C(=O)c2n[nH]cc2F)C[C@H]1CNCC(=O)NCC#N 1106636962 XBIZWRZDIYGZQK-NXEZZACHSA-N 322.344 -0.514 30 20 DBED CCN(CCNc1cncc(C#N)n1)C(=O)[C@@H]1CN(C)C(=O)N1 1106906993 PEODEKXUTGRANW-NSHDSACASA-N 317.353 -0.368 30 20 DBED CC(=O)N(C)CC(=O)NC/C=C\CNc1cncc(C#N)n1 1107038873 HSBMSRFQLPRRRJ-ARJAWSKDSA-N 302.338 -0.089 30 20 DBED C=CCN1CC(n2cc(CNC(=O)CNC(=O)CCC)nn2)C1 1107140504 HQWQJVGNSWFBLJ-UHFFFAOYSA-N 320.397 -0.147 30 20 DBED C#CCO[C@@H](C)C(=O)NC/C=C\CNc1ccc2nnnn2n1 1107346233 NGGXYOPOINYWLQ-WYGGZMRJSA-N 315.337 -0.358 30 20 DBED N#Cc1cnc(NC/C=C\CNC(=O)c2c[nH]c(=O)cn2)cn1 1107490980 ZQSJNQMEQNTXFF-UPHRSURJSA-N 311.305 -0.170 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@]1(C)CN(CC(N)=O)CCO1 1108226490 WUXREXUSWKNMAO-XUJVJEKNSA-N 311.382 -0.730 30 20 DBED C[C@@]1(CNC(=O)[C@H]2CCCCN2C(N)=O)CN(CC#N)CCO1 1108334164 DRZGVTPZWNCQOY-IUODEOHRSA-N 323.397 -0.350 30 20 DBED C[C@@H](CNc1cnc(C#N)cn1)NC(=O)C[C@@H]1CC(=O)NC1=O 1108435684 MYDVCGBESXITML-DTWKUNHWSA-N 316.321 -0.682 30 20 DBED CO[C@H](C(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1)C1CCC1 1108558144 BBTDDJMYVIZGHD-WFASDCNBSA-N 320.393 -0.274 30 20 DBED C[C@H](NC(N)=O)C(=O)N1C[C@@H](C)OC2(CCN(CC#N)CC2)C1 1111541802 CZGCOCCKASVPRL-NEPJUHHUSA-N 323.397 -0.351 30 20 DBED C#CCNC[C@]12CCC[C@H]1CN(C(=O)C[C@@H]1CC(=O)NC1=O)C2 1112594115 LUQODWSGDXBDHC-DCGLDWPTSA-N 317.389 -0.109 30 20 DBED Cc1ncsc1C(=O)N1CCN(CC(=O)NCC#N)CC1 1112634343 IRYJUBUBVGSGOS-UHFFFAOYSA-N 307.379 -0.151 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)c2ncc(F)cc2F)CC1 1113020471 IRCWWDYMPGIFLV-UHFFFAOYSA-N 323.303 -0.243 30 20 DBED C[C@H](CNC(=O)[C@@H]1CN(C)CCO1)N(C)c1ccc(C#N)nn1 1113534260 WWWUTVVSWKRDJC-YPMHNXCESA-N 318.381 -0.380 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCC(=O)NC1)N(C)c1cncc(C#N)n1 1113961691 UHSAMSXBWDTKPA-QWRGUYRKSA-N 316.365 -0.185 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@@H]2CN(CCn3cccn3)C[C@@H]12 1114160006 PDOXHSCGHCZHBE-CHWSQXEVSA-N 315.377 -0.931 30 20 DBED CC(C)(C)OCC(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1114166636 VTWHEZULVJSWEP-YABSGUDNSA-N 308.382 -0.512 30 20 DBED C=CCCN1C[C@H]2[C@H](NC(=O)CCCS(N)(=O)=O)[C@H]2C1 1114755829 QTAOWYHXXSVKQB-PJXYFTJBSA-N 301.412 -0.322 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)C3CC4(CC4)C3)[C@H]2C1 1114819389 OMKCDSDHDCIELB-STQMWFEESA-N 301.390 -0.028 30 20 DBED CC(=O)NCC(=O)N[C@H](C)CCCN=c1cc[nH]c(C#N)n1 1114830377 VQMIDAMERYQYMV-SNVBAGLBSA-N 304.354 -0.397 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)Cc3cnc[nH]3)[C@H]2C1 1114888629 KZNVVEYDIUREBA-PBOSXPJTSA-N 315.377 -0.864 30 20 DBED C#C[C@@H](CC)NC(=O)C(=O)Nc1cnn(CC(=O)N(C)C)c1 1116758558 VLZYXLKMVDNNKF-JTQLQIEISA-N 305.338 -0.562 30 20 DBED C=CCN(C)c1nnnn1[C@@H]1CCCN(S(C)(=O)=O)C1 1120222674 APZXOYUHDZYRQF-SNVBAGLBSA-N 300.388 -0.108 30 20 DBED C[C@H](CN(C)C(=O)[C@H]1C[C@H]1C(N)=O)N=c1cc[nH]c(C#N)n1 1120706243 OTWSQRLOOZXXLT-BBBLOLIVSA-N 302.338 -0.850 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](CO)Nc1cncc(C(=O)N(C)C)n1 1121214381 ZTUUHPIQSFXSEB-UWVGGRQHSA-N 320.353 -0.773 30 20 DBED CCn1nncc1C(=O)NC[C@@H](CO)Nc1ccc(C#N)nc1 1121471343 BWNWPVRCKUUMLQ-LBPRGKRZSA-N 315.337 -0.233 30 20 DBED N#Cc1cncc(N[C@@H](CO)CNC(=O)CCc2ncc[nH]2)n1 1121498271 VGHMBNFTIQEKTB-LLVKDONJSA-N 315.337 -0.407 30 20 DBED N#Cc1c(F)cccc1N[C@H](CO)CNC(=O)[C@H]1CNC(=O)N1 1122435753 BGEBDSPFCSQYPE-QPUJVOFHSA-N 321.312 -0.732 30 20 DBED COCCC(=O)N(C)C[C@H](O)CN(C)c1cncc(C#N)n1 1124903530 TUQQXCVMQZXUCM-GFCCVEGCSA-N 307.354 -0.360 30 20 DBED Cc1cc(N2CC[C@H](NCCNC(=O)[C@@H](C)C#N)C2=O)n(C)n1 1124903955 VBOCJRCNAXDHIV-JQWIXIFHSA-N 318.381 -0.301 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(CC#CC)C[C@@H]1n1ccnn1 1128929112 BWFDWQMFHIRDSS-YCPHGPKFSA-N 317.393 -0.030 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)C12CCCN(CCC1)C2 1130173492 GTVZFLIPVVGPFL-AWEZNQCLSA-N 320.437 -0.294 30 20 DBED C#CCCCC(=O)N1C[C@H](C)O[C@@]2(CCN(CC(N)=O)C2)C1 1131658485 UIKHJXOANKQPHJ-XJKSGUPXSA-N 307.394 -0.033 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@@H](C)NC(=O)C(C)(C)C 1132141263 HKGRSNFUEMTHHZ-LLVKDONJSA-N 312.414 -0.455 30 20 DBED C#CCNC(=O)CN1C[C@H](NC(=O)c2n[nH]cc2F)CC[C@H]1C 1132274322 RUOKFMUMBXKATE-GHMZBOCLSA-N 321.356 -0.119 30 20 DBED C#CCN1C[C@@H](NC(=O)C(C)(C)NS(C)(=O)=O)CC[C@@H]1C 1132340754 YLSSCLQTZFKSGY-RYUDHWBXSA-N 315.439 -0.084 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)c1ncn(C)n1 1134260180 IMJHTFKFKNSOOX-GHMZBOCLSA-N 306.370 -0.949 30 20 DBED N#CCNC(=O)CNCCNC(=O)[C@H]1CCOc2ccccc21 1135393345 GNFLMYYPGMIUTI-ZDUSSCGKSA-N 316.361 -0.102 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)Cc1cncn1C 1147908577 YRLKNUHDTMOLBF-UHFFFAOYSA-N 319.409 -0.131 30 20 DBED COCC#CCN1CCC2(C1)CN(C(=O)[C@H](COC)OC)C2 1148254165 BMQZAYYTZODKHN-AWEZNQCLSA-N 310.394 -0.168 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@H](C)c1cnn(C)c1 1154014166 VGUHRSBSXQMTHX-VXGBXAGGSA-N 307.398 -0.080 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)c1cn(CC)cn1 1171345878 CJWQSNRXIUMOHD-GFCCVEGCSA-N 305.382 -0.250 30 20 DBED C#CCOc1ncccc1C(=O)NCCCN[C@@H]1CCNC1=O 1171548719 CMTIXQLFAFVJEQ-CYBMUJFWSA-N 316.361 -0.308 30 20 DBED CCc1noc(C)c1C(=O)NCCCNCC(=O)NCC#N 1175897796 OXHSLNLHDSPYOT-UHFFFAOYSA-N 307.354 -0.105 30 20 DBED CC#CCN1CCO[C@@H]2CCN(C(=O)CNC(=O)NC)C[C@@H]21 1177026216 WVUOVZRIKZQMLZ-QWHCGFSZSA-N 308.382 -0.760 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)Cc2ccon2)[C@H]1C 1178391077 JANQDANOEWQFGI-AAEUAGOBSA-N 304.350 -0.455 30 20 DBED C#CCOCCC(=O)N1CC[C@H](N[C@H]2CCN(C)C2=O)[C@@H]1C 1178689648 UNKVJQVUDBRHNP-IHRRRGAJSA-N 307.394 -0.164 30 20 DBED C=CCN(CC=C)C(=O)CN[C@@H]1CCN(C(=O)CNC(N)=O)C1 1180912574 CMIXCGBLDLARIO-GFCCVEGCSA-N 323.397 -0.954 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC[C@H](N(C)CCN2CCNC2=O)C1 1189917646 IYIDVMXNLNDDQA-XJKSGUPXSA-N 324.425 -0.129 30 20 DBED C=CCCC(=O)N[C@@H]1CN(CC(=O)NCCOCC)C[C@H]1O 1191622358 JHFZTGMKSKZYFN-CHWSQXEVSA-N 313.398 -0.733 30 20 DBED CC(C)Cn1ncnc1CN1C[C@@H](O)[C@H](NC(=O)[C@H](C)C#N)C1 1191853583 GHGOCDGGOOJHNC-JHJVBQTASA-N 320.397 -0.245 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2cc(C)ncn2)C[C@H]1O 1192892206 VFLMEGIPGNAXBU-NWANDNLSSA-N 318.377 -0.515 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)[C@@H]2CC[C@H]2C(N)=O)CC1 1196771180 TXFLRKAESIJORW-CHWSQXEVSA-N 322.409 -0.666 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)c2cn(C(C)C)nn2)C1 1197295825 DSVQGGPWQWDKAX-TZMCWYRMSA-N 321.381 -0.716 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)CSCC#N)CC1 1199386517 BHKOSRAABLLZQU-UHFFFAOYSA-N 308.407 -0.427 30 20 DBED C#CCCCC(=O)N1CCC(NCc2nc(=O)n(C)[nH]2)CC1 1200317388 TZIRSNWGUNLTJZ-UHFFFAOYSA-N 305.382 -0.008 30 20 DBED C=CCOCCNC[C@@H]1CN(C(=O)CC(=O)NC)CCCO1 1200351635 KXIRULUBAGWCQM-CYBMUJFWSA-N 313.398 -0.468 30 20 DBED CC(C)C#CC(=O)N1CCCO[C@@H](CN[C@@H]2CCNC2=O)C1 1200461056 FFELKHABSIOZLQ-UONOGXRCSA-N 307.394 -0.259 30 20 DBED CC[C@H](C)C(=O)NCC(=O)N1CCCO[C@H](CNCC#N)C1 1202088365 SWCNNZXCIRVQJW-QWHCGFSZSA-N 310.398 -0.121 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)C[C@H](C)OC)CC1 1204734328 OSMBOQRXEGTOGA-ZDUSSCGKSA-N 309.410 -0.011 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC(CNC[C@@H](O)COC)CC1 1205264157 AKPKQRUPYVBFKW-UKRRQHHQSA-N 312.410 -0.140 30 20 DBED C=CCNCC1CCN(C(=O)CCS(=O)(=O)NC)CC1 1205271951 SAXGMDCFOPXRNQ-UHFFFAOYSA-N 303.428 -0.060 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)c2ncoc2C)C1 1207556152 JTXHALLYPYGDBX-LBPRGKRZSA-N 304.350 -0.073 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)c2n[nH]cc2F)[C@H](C)C1 1208520287 CSGQGVYECOGWBQ-JFGNBEQYSA-N 321.356 -0.263 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)c2cn(CC)cn2)C1 1210691359 XNMZTKHEPFSFTI-ZDUSSCGKSA-N 317.393 -0.153 30 20 DBED C=CCN[C@H]1CCCN(C(=O)CNC(=O)Cn2cncn2)C1 1211233843 QAUFNYHDMDGFRD-LBPRGKRZSA-N 306.370 -0.839 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)[C@H]2COCCN2C)C[C@H]1C 1214459128 PUCCLZZPCVQFPS-RBSFLKMASA-N 309.410 -0.597 30 20 DBED CCOc1nc(C(=O)N[C@@H]2CN(CC#CCOC)C[C@@H]2O)co1 1219947383 HFEWWXWCFNOZHI-YPMHNXCESA-N 323.349 -0.502 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)CCc2cn[nH]c2)C1 1220518341 CLHJYISBYDWNFT-KGLIPLIRSA-N 306.366 -0.847 30 20 DBED CCC[C@@H](OC)C(=O)N1C[C@H]2CCN(CC(=O)NCC#N)C[C@H]21 1221733164 HNFLVJHYYDTYRZ-MGPQQGTHSA-N 322.409 -0.026 30 20 DBED N#CCNC(=O)CN1CCC(CNC(=O)[C@@H]2CCOC2)CC1 1222543903 RWJTWFFNQIWYKM-CYBMUJFWSA-N 308.382 -0.509 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)[C@@H]2CCOC2)CC1 1222543916 TXOFJHNVKXHLIO-CQSZACIVSA-N 307.394 -0.400 30 20 DBED C=CCCN1CCC(CNC(=O)Cn2ncn(C)c2=O)CC1 1223686957 LLZDCZZZSCQYFX-UHFFFAOYSA-N 307.398 -0.014 30 20 DBED CN(C[C@H]1CCN1CC(=O)NCC#N)C(=O)CC1CCOCC1 1231322957 WWAFXTAROLFFTR-CQSZACIVSA-N 322.409 -0.024 30 20 DBED C=CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)Cc1cc[nH]n1 1231376344 CFZABEZSEXHCSI-CYBMUJFWSA-N 305.382 -0.213 30 20 DBED Cc1cc(C(=O)N(C)C[C@H]2CCN2CC(=O)NCC#N)ncn1 1233691428 AWOQJYRZFGUMPP-GFCCVEGCSA-N 316.365 -0.429 30 20 DBED C#CCN(C)C(=O)C(=O)Nc1cccn(CC(=O)OCC)c1=O 1256712331 GOPDTNDSXSTQLL-UHFFFAOYSA-N 319.317 -0.559 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC[C@@H](NC(=O)c2nonc2C)C1 1317956404 GCJXDMSYDUUXHY-VXGBXAGGSA-N 319.365 -0.290 30 20 DBED N#CCOc1cccc(CC(=O)NCCN2C(=O)CNC2=O)c1 1319644601 BGYNOWMOLPOBBP-UHFFFAOYSA-N 316.317 -0.201 30 20 DBED CCOC(=O)N1CCN(C(=O)C(=O)N2CCO[C@H](C#N)C2)CC1 1325534578 YDHUSFGFQNEWBX-LLVKDONJSA-N 324.337 -0.962 30 20 DBED CO[C@@H]1CCN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)C[C@H]1C 1326265249 FSVIDILXWYBCJE-LALPHHSUSA-N 309.366 -0.253 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N1CCC[C@H](C(=O)NC2CC2)C1 1329626045 IRZYPHIMULOSDA-RYUDHWBXSA-N 323.393 -0.179 30 20 DBED CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)C(=O)NCCCCC#N)O1 1329790661 DVMMXXNHTVKIFZ-RYUDHWBXSA-N 324.381 -0.452 30 20 DBED COC[C@H](NC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1)C1CC1 1332617995 VGBBHWGVYAVNEW-KGLIPLIRSA-N 320.393 -0.274 30 20 DBED C#CCOCCNC(=O)C(=O)NCc1cc(C2CC2)n(C)n1 1332867466 IZIBZXIEJFZLFL-UHFFFAOYSA-N 304.350 -0.320 30 20 DBED CNC(=O)c1cccc(C(=O)[C@@H](C#N)C(=O)NCCCOC)n1 1341899379 RBHHGTXFGWXEEU-SNVBAGLBSA-N 318.333 -0.084 30 20 DBED C#C[C@H](NCC(=O)N[C@@H]1CCS(=O)(=O)C1)[C@H]1CCCO1 1342949427 LNKUCLSYHWMINH-GRYCIOLGSA-N 300.380 -0.940 30 20 DBED C#CCCCC(=O)N[C@H]1CCN(c2cc(=O)n(C)c(O)n2)C1 1349554898 MKJJHFCCRVEJEV-NSHDSACASA-N 304.350 -0.016 30 20 DBED C=CCN1CC[C@H](N(C)c2nnnn2Cc2ccon2)C1=O 1351056912 CHWAGWBPSFJXDD-NSHDSACASA-N 303.326 -0.068 30 20 DBED CN(C)C[C@H]1CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)C1 1362331321 AAQAQKVIILXELM-SNVBAGLBSA-N 305.338 -0.769 30 20 DBED C[C@@H](CNC(=O)[C@H](C)C#N)NC(=O)c1cccn2c(O)nnc12 1373075492 SKSBYHMKBQRDCP-BDAKNGLRSA-N 316.321 -0.171 30 20 DBED N#Cc1ccccc1CNC[C@H](O)CNC(=O)[C@H]1CCC(=O)N1 1374593616 YQOIBFPEALFOGO-UONOGXRCSA-N 316.361 -0.596 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]1CN(C)C(=O)CS(C)(=O)=O 1384864886 CZDRJZYDTJOXSN-NXEZZACHSA-N 301.368 -0.750 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)[C@@H]2CCN(C)C(=O)C2)CC1 1389966029 XXENMYFUYVEXGS-GHMZBOCLSA-N 306.366 -0.221 30 20 DBED COC[C@H](O)CN1CCN(CCN(C)C(=O)[C@@H](C)C#N)CC1 1391331514 GSLAJSIPTYAXFU-UONOGXRCSA-N 312.414 -0.771 30 20 DBED CC[C@@H](CNC(=O)c1ncn(C)n1)NC(=O)c1c[nH]c(C#N)c1 1398942151 KCOJQTCHYIBRGM-JTQLQIEISA-N 315.337 -0.047 30 20 DBED CCc1cc(C(=O)NCCn2cc(C#N)c(O)nc2=O)no1 1413308295 JYPYMLJBZVRZPJ-UHFFFAOYSA-N 303.278 -0.199 30 20 DBED COC[C@H](OC)C(=O)N1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 1414775855 STGWMWIFVFMMDU-YPMHNXCESA-N 320.349 -0.122 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1cnn(C(F)F)c1 1431570441 MXAXWSSBFPEUDN-VXNVDRBHSA-N 315.280 -0.355 30 20 DBED C=C(Cl)CN1CC[C@@H]1CNC(=O)CN1CCC(=O)NC1=O 1439561829 OFGUBVAENRRYSC-SNVBAGLBSA-N 314.773 -0.129 30 20 DBED Cn1ncc(C(=O)NC[C@H](O)CNCc2cccc(C#N)c2)n1 1497070452 OBUYRLZVMUZWEM-CYBMUJFWSA-N 314.349 -0.433 30 20 DBED C=CCN1CC[C@@H](N2CC[C@H](CNC(=O)CNC(=O)O)C2)C1=O 1573368800 RTVXBPYTGPSZPP-VXGBXAGGSA-N 324.381 -0.521 30 20 DBED C=CC1(CC(=O)NCCN/C(O)=C2\N=CC=CC2=O)CNC1 1574879988 MZNNXEICYRKBCK-BUHFOSPRSA-N 304.350 -0.205 30 20 DBED COCCOCCOCCN(C)C(=O)N[C@H]1CNC[C@@H]1C#N 1579058997 NLKMNLQCPUPENF-STQMWFEESA-N 314.386 -0.581 30 20 DBED N#Cc1ncc(N2CCN3C(=O)OC[C@H]3C2)nc1-c1nn[nH]n1 1581883193 QZTWXZZCVDWFFA-SSDOTTSWSA-N 313.281 -0.831 30 20 DBED C#C[C@H]1CCCCN1C(=O)C(=O)N1CCC([C@@H](O)C(=O)O)CC1 1588382353 NCYBDWCXULPYAV-QWHCGFSZSA-N 322.361 -0.315 30 20 DBED C=C1CN(CCS(=O)(=O)c2ccc(-c3nn[nH]n3)cn2)C1 1588462876 SJZVYAUMAYUBIF-UHFFFAOYSA-N 306.351 -0.093 30 20 DBED C#Cc1ccc(C(=O)NC[C@]2(C(=O)O)C[C@@H]2S(C)(=O)=O)cn1 1588516567 PSFNDQMFRFVSSI-SMDDNHRTSA-N 322.342 -0.319 30 20 DBED C=C(C)C[C@@H](NC(=O)C[C@@]1(C)CCS(=O)(=O)N1)C(=O)O 1588541344 WSRMFGPHERSKMI-BXKDBHETSA-N 304.368 -0.006 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)O 1588548704 XCYAAZOBJCAMJI-NWDGAFQWSA-N 308.338 -0.008 30 20 DBED C=CCOC[C@@H](NC(=O)[C@@H](NS(C)(=O)=O)C(C)C)C(=O)O 1588855885 QRMMSCBHECCPSI-ZJUUUORDSA-N 322.383 -0.668 30 20 DBED N#Cc1ccc2ncc(CN3CCNC(=O)[C@H]3CC(=O)O)n2c1 1601116585 WSHZOBOJSPBMSS-GFCCVEGCSA-N 313.317 -0.019 30 20 DBED O=C(NCCN/C(O)=C1\N=CC=CC1=O)N[C@H]1C[C@H](C(=O)O)C1 1601503202 BWJFJRUPKYYIJN-ZPGVFWSXSA-N 322.321 -0.325 30 20 DBED C#CC(=O)N1CCN(c2snc(C)c2-c2nn[nH]n2)CC1 1602680819 QXMTZEOFQXKMGZ-UHFFFAOYSA-N 303.351 -0.087 30 20 DBED C[C@]1(C#N)CN(S(=O)(=O)c2cc(C(=O)O)no2)CCO1 1604484842 TWOHMZUCIZSWDB-JTQLQIEISA-N 301.280 -0.324 30 20 DBED CN(CCNS(=O)(=O)c1ccc(F)cc1C#N)CC(=O)O 1606133053 MATQUIVCGGPMSU-UHFFFAOYSA-N 315.326 -0.008 30 20 DBED N#Cc1cccc(ONC(=O)Cn2cnc(-c3nn[nH]n3)n2)c1 1606381586 FTZVVLKALIFKFY-UHFFFAOYSA-N 311.265 -0.560 30 20 DBED C=CCOC[C@@H](NC(=O)[C@H]1CCc2nnc(C)n2C1)C(=O)O 1609432319 NTFGXJNGDOSRCV-WDEREUQCSA-N 308.338 -0.079 30 20 DBED C[C@@H](NCCS(=O)(=O)c1ccc(C#N)cn1)c1nnnn1C 1650154323 LKOPDGGTWPEXFT-SECBINFHSA-N 321.366 -0.399 30 20 DBED CCNC(=O)NC(=O)[C@H](C)N[C@H]1CCN(C(=O)C#CC2CC2)C1 1752570847 AFUHGEGHYKAUFN-AAEUAGOBSA-N 320.393 -0.176 30 20 DBED C#CCOCCC(=O)N[C@H]1C[C@H](NCC(=O)N2CCOCC2)C1 1752629151 QQRHZJLBHSBINE-HDJSIYSDSA-N 323.393 -0.878 30 20 DBED C=CCNC[C@@H]1CCCN(C(=O)[C@H](C)NS(C)(=O)=O)C1 1752808362 ZPWAQFXDRGRSBC-RYUDHWBXSA-N 303.428 -0.062 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@H](CNCC(=O)NCCC)C1 1752939537 ULFFBSGEVRQAQU-UONOGXRCSA-N 309.410 -0.011 30 20 DBED C=CCN1CC[C@@H](N(C)CCNC(=O)c2cnns2)C1=O 1753043048 MPYXUDBXTQCQLS-SNVBAGLBSA-N 309.395 -0.013 30 20 DBED C#CCNC(=O)CN(C)CCNC(=O)c1csc2cncn12 1753068052 PFDJXIFIZMPECE-UHFFFAOYSA-N 319.390 -0.193 30 20 DBED CC#CCN1CCN(CCN(C)C(=O)CS(C)(=O)=O)CC1 1753343911 LDWKGBABJNEEQN-UHFFFAOYSA-N 315.439 -0.870 30 20 DBED CN(CC(=O)NCC#N)C[C@@H]1CCN(C(=O)Cn2cccn2)C1 1753357527 YWLPOIKSBZAWLZ-ZDUSSCGKSA-N 318.381 -0.697 30 20 DBED C#CCNC(=O)CN(C)C[C@H]1CCN(C(=O)c2nc(C)c[nH]2)C1 1753359966 MUFHYDNWBWBQDQ-CYBMUJFWSA-N 317.393 -0.139 30 20 DBED N#CCNCC1(NC(=O)[C@@H]2Cc3cncn3C(=O)N2)CCCC1 1753506380 RKPXOIRGMRMFHT-LBPRGKRZSA-N 316.365 -0.092 30 20 DBED CCN(CCNCC#CCOC)C(=O)[C@@H]1CCNC(=O)CC1 1754058855 NZJHXNIJUSPNBT-AWEZNQCLSA-N 309.410 -0.009 30 20 DBED C#CCNCCCN(C)C(=O)c1ccc(=O)n(CCOC)n1 1754383185 HFLQGXUZXKNEPI-UHFFFAOYSA-N 306.366 -0.425 30 20 DBED C=CCCCN1CC[C@@](O)(CNC(=O)c2cn(C)c(=O)n2C)C1 1754762538 SAOOXBFEKAIEFK-MRXNPFEDSA-N 322.409 -0.143 30 20 DBED C=C(Cl)CNCCN(CCO)C(=O)c1ccc(O)nn1 1754877563 XOEAURZGWAQCIB-UHFFFAOYSA-N 300.746 -0.041 30 20 DBED C#CCN(C)CCCN(C)C(=O)[C@@H](C)NS(=O)(=O)CC 1755038393 WTNFEXJQEQYHRS-GFCCVEGCSA-N 303.428 -0.272 30 20 DBED C=CCNC(=O)CN(C)[C@@H](C)CNC(=O)Cc1nnc(C)o1 1755300057 YQFRKDXWIBBRPW-JTQLQIEISA-N 309.370 -0.341 30 20 DBED Cc1ccn(C[C@@H](C)C(=O)NC2(CCO)CN(CC#N)C2)n1 1755333728 OYSBLEQJUJGTEL-GFCCVEGCSA-N 305.382 -0.096 30 20 DBED Cc1cc(C(=O)N2C[C@H]3CC[C@H]2CN3CC(=O)NCC#N)n[nH]1 1755393620 VIOKJSAALPLUQF-NEPJUHHUSA-N 316.365 -0.353 30 20 DBED C=C(Br)CN[C@H](CO)CNC(=O)C(C)(C)C(N)=O 1755632024 OZZMAZKCUGDGAP-QMMMGPOBSA-N 322.203 -0.527 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2cncnc2O)[C@H]1C 1755655736 ASDBLFGLPACZRK-CMPLNLGQSA-N 317.349 -0.876 30 20 DBED C#CCOCCC(=O)N1CC([C@@H](C)NC(=O)[C@H]2COC(=O)N2)C1 1756140158 GTMDMLHDEGUNQX-ZYHUDNBSSA-N 323.349 -0.902 30 20 DBED C=CCOCC(=O)N[C@H]1C[C@@H](C)N(C(=O)c2cnnn2C)C1 1756588854 WRZWGRAMHXHCTB-MNOVXSKESA-N 307.354 -0.263 30 20 DBED C=CCCC(=O)N(C)C[C@@H](O)CNC(=O)[C@@]1(C)CNC(=O)C1 1756654382 ADHFCKZGFBTMJJ-XHDPSFHLSA-N 311.382 -0.586 30 20 DBED C[C@H](C#N)C(=O)NCC1=CCN(C(=O)[C@@H]2CCN(C)C2=O)CC1 1756782772 BPBHKRMVZMHIBJ-DGCLKSJQSA-N 318.377 -0.101 30 20 DBED C#CCCCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1757026556 XFTSYMSOFDHRJZ-OKWIKPQFSA-N 306.362 -0.630 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@H](NC(=O)[C@@]2(C)CCC(=O)NC2)C1 1757202667 BWXGXSNNICLCTP-WQGACYEGSA-N 323.393 -0.443 30 20 DBED C=CCN(CC=C)CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1 52868812 UJFXCLBMYYYJPJ-NSHDSACASA-N 315.395 -0.327 30 20 DBED C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](O)C2)cc1 174582902 YGVWURZXHBPUKZ-GFCCVEGCSA-N 308.359 -0.195 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(Cc2nc(CC)no2)c1=O 252257189 NDTHRVOURNMKNW-UHFFFAOYSA-N 319.321 -0.463 30 20 DBED C#CCSCCNC(=O)CNS(=O)(=O)CCOCC 268263613 TYDBDIWVWPXRGP-UHFFFAOYSA-N 308.425 -0.575 30 20 DBED C=CCn1c(S(=O)(=O)[C@H](C)C(=O)NCC(C)C)n[nH]c1=O 283808411 BGTWFMHUEMBKCE-SECBINFHSA-N 316.383 -0.308 30 20 DBED CN1CN(/C(O)=N/CC2CCN(S(C)(=O)=O)CC2)CC1=O 329744704 QWDPCSOZCXWKFA-UHFFFAOYSA-N 318.399 -0.697 30 20 DBED C[C@@H]1OCC[C@@]12CN(C(=O)Cn1cnc(C#N)n1)C[C@@H](C)O2 329887458 XLIAZEHZRIKLCI-UHIISALHSA-N 305.338 -0.055 30 20 DBED CCN1CN(/C(O)=N/C[C@H]2CCN(S(C)(=O)=O)C2)CC1=O 330164708 UCODIYLZFYZKJD-SNVBAGLBSA-N 318.399 -0.697 30 20 DBED CCOC(=O)CCN(C)S(=O)(=O)N(CCC#N)CCOC 336928203 YSUHGVFLWPHOHB-UHFFFAOYSA-N 321.399 -0.022 30 20 DBED C=CCN1CC[C@H](N(C)CC(=O)N[C@H](C)C(=O)N(C)C)C1=O 337228760 RHAYGFZACFGSHJ-NEPJUHHUSA-N 310.398 -0.702 30 20 DBED C=CCN1CC[C@@H](N(C)CC(=O)N2CCC[C@H](C(N)=O)C2)C1=O 337231099 UBNXBFHWOBYESY-QWHCGFSZSA-N 322.409 -0.571 30 20 DBED C[C@@H]1CCC[C@@]1(O)CNS(=O)(=O)N1CCO[C@H](C#N)C1 339094648 BZGMWEBCHPBYBU-IJLUTSLNSA-N 303.384 -0.404 30 20 DBED N#C[C@H]1CN(S(=O)(=O)N2CCC[C@H](CO)CC2)CCO1 339127188 XPWCZASVDLSUEY-RYUDHWBXSA-N 303.384 -0.450 30 20 DBED COC(=O)[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1)OC 342262314 JLYYBRDFLZTNJK-LLVKDONJSA-N 305.290 -0.199 30 20 DBED CN(CCC#N)S(=O)(=O)N1CC[C@H](NC(=O)NC2CC2)C1 354676912 NXULJBQACAINDE-NSHDSACASA-N 315.399 -0.387 30 20 DBED C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@H](S(N)(=O)=O)C1 357387228 FPBIZFBCCXKJJQ-RYUDHWBXSA-N 301.412 -0.062 30 20 DBED CNC(=O)Cn1cnc(NC(=O)COc2ccccc2C#N)n1 358952047 LRQPYLOSRULRSX-UHFFFAOYSA-N 314.305 -0.087 30 20 DBED COC(=O)[C@H]1CNC(=O)CN1CC(=O)Nc1sccc1C#N 447916290 ORGNMGBGTLVQMR-SECBINFHSA-N 322.346 -0.468 30 20 DBED C=CCOC[C@@H](NS(=O)(=O)c1cnc2n1CCC2)C(=O)O 516058491 CKDUPRFWWWIHGQ-SECBINFHSA-N 315.351 -0.237 30 20 DBED CCN1CCO[C@H](C(=O)Nc2n[nH]c(CCCNC)c2C#N)C1 569275335 KBPJFUJZJNSDDX-ZDUSSCGKSA-N 320.397 0.093 30 20 DBED COCCn1nnc2c1CCN(CC(=O)NC1(C#N)CCC1)C2 569476611 NIDRETYCZGRENK-UHFFFAOYSA-N 318.381 -0.155 30 20 DBED CCCN1C[C@H](CNc2c(C#N)c(=O)n(C)c(=O)n2C)CC1=O 570790927 PILQRSPVUWXOKE-JTQLQIEISA-N 319.365 -0.374 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C)C[C@@H]2CC)C1=O 576255176 KZSKWVOHRFHRNN-NSHDSACASA-N 322.365 -0.484 30 20 DBED C=CCn1cc(CNC(=O)N[C@H]2CCC(=O)N(C)C2=O)nn1 578862030 FULKLWNYDSDXAU-JTQLQIEISA-N 306.326 -0.589 30 20 DBED C[C@@H](COCC1CC1)NS(=O)(=O)N1CCO[C@@H](C#N)C1 593654855 XERMLEUHZCUZCA-JQWIXIFHSA-N 303.384 -0.140 30 20 DBED Cn1nnc2c1CC[C@H](NS(=O)(=O)c1ccc(C#N)nc1)C2 594480142 ZQIRBPIIWNEHSF-VIFPVBQESA-N 318.362 -0.082 30 20 DBED C[C@H](CO)[C@@H]1CCCCN1c1c(C#N)c(=O)n(C)c(=O)n1C 596437253 VFFDWHFOWPYVJT-PWSUYJOCSA-N 306.366 -0.057 30 20 DBED CCOC(=O)[C@H]1CCCN(S(=O)(=O)NCC#CCO)C1 601456670 TUTSQWQOLMITOB-NSHDSACASA-N 304.368 -0.908 30 20 DBED CNC(=O)Cn1[nH]c(=NC(=O)N=c2[nH]n(C)cc2C#N)cc1C 615025400 BWHSCMORQVJXMJ-UHFFFAOYSA-N 316.325 -0.970 30 20 DBED NC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC#CCO 655057954 AEQMMKHQBVQKLQ-AWEZNQCLSA-N 314.345 -0.141 30 20 DBED C#CCNC(=O)[C@@H](C)OC(=O)CNC(=O)c1ccc(C#N)cc1 727007777 HBSZRAFTHSXRRC-LLVKDONJSA-N 313.313 -0.031 30 20 DBED N#CCNC(=O)COC(=O)CN1C(=O)COc2ccccc21 731237321 GCNGPJURSUHHGW-UHFFFAOYSA-N 303.274 -0.405 30 20 DBED N#Cc1c(F)cccc1S(=O)(=O)N1CCO[C@H](C(N)=O)C1 742285814 KKPKRMGJSPJKCU-JTQLQIEISA-N 313.310 -0.428 30 20 DBED N#CCCNC(=O)COC(=O)c1ccc(S(N)(=O)=O)s1 745252160 FKIHMFZUBNEFLB-UHFFFAOYSA-N 317.348 -0.418 30 20 DBED CCOC(=O)C1=C(CN2CCOC[C@H]2C#N)NC(=O)N[C@H]1C 746479228 VSXZOWXCJCUELY-VHSXEESVSA-N 308.338 -0.271 30 20 DBED C#CCOCCNC(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 784367915 CWEJXHOINNNFSE-OAHLLOKOSA-N 324.425 -0.658 30 20 DBED C#CCNC(=O)COC(=O)[C@@](C)(O)Cn1ccc(C)cc1=O 790690121 PRZDVLVDRWPOGH-HNNXBMFYSA-N 306.318 -0.800 30 20 DBED COC(=O)[C@]1(F)CCN(S(=O)(=O)N(C)C[C@H](C)C#N)C1 800071364 NPSDPLZCDIYOKI-KOLCDFICSA-N 307.347 -0.090 30 20 DBED C#CCCCS(=O)(=O)N1CCC(S(=O)(=O)NC)CC1 804993022 JHIIBHLNZNNHJQ-UHFFFAOYSA-N 308.425 -0.257 30 20 DBED C#CCCS(=O)(=O)N1CCN(C(C)(C)C(=O)OC)CC1 808307442 QOBSPROQBBMCPZ-UHFFFAOYSA-N 302.396 -0.091 30 20 DBED CON=Cc1ccc(C(=O)NCC(=O)NCC(=O)OC)cc1 819579069 NQHGECFGDRREKP-UHFFFAOYSA-N 307.306 -0.314 30 20 DBED O=C(N[C@H]1CCCN(O)C1=O)c1cccc(-n2cnnn2)c1 820482939 USYOQMSSJSUBCP-NSHDSACASA-N 302.294 -0.228 30 20 DBED CNS(=O)(=O)[C@H]1CCCN(C(=O)[C@@](C)(C#N)CC(=O)O)C1 820640476 AULBUZHKEHWNAT-JOYOIKCWSA-N 317.367 -0.469 30 20 DBED N#Cc1ncn(CC(=O)N2CCN(Cc3cncs3)CC2)n1 826805663 OMOXWYVHGNKVMD-UHFFFAOYSA-N 317.378 -0.049 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N[C@H]1CCc2c[nH]nc2C1 828239235 NEOHZRYADQKQFO-ZDUSSCGKSA-N 318.377 -0.119 30 20 DBED Cc1cc(C(=O)N[C@H]2CNC[C@@H]2C#N)nc2nc(O)nc(O)c12 844195023 PBJXOLOYDCSOQO-CBAPKCEASA-N 314.305 -0.414 30 20 DBED CNC[C@H](C)NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 852920573 VMWDUDKJHSMGLM-VIFPVBQESA-N 310.379 -0.551 30 20 DBED C#CC[C@@H](CO)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)CC(C)C 854542363 PZBYMSAGTAXPHC-GXTWGEPZSA-N 320.393 -0.017 30 20 DBED C#CC[C@H](CO)NC(=O)c1ccc(F)c(S(N)(=O)=O)c1 854546933 NSZNUAJVVBAZMI-SECBINFHSA-N 300.311 -0.413 30 20 DBED C#CCO[C@H](C)C(=O)N(C)CC(=O)N1CCC(C(=O)O)CC1 909203566 GQXOXAACILCEBC-LLVKDONJSA-N 310.350 -0.194 30 20 DBED CCn1cc(C(=O)N(CCC#N)CCN2CCOCC2)nn1 931268998 ILWUKNNSFZTZNJ-UHFFFAOYSA-N 306.370 -0.014 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@H](NC(=O)[C@H]3COC(=O)N3)C2)c1 937891576 HOAGGNNUCBQJLZ-GXSJLCMTSA-N 317.305 -0.675 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](N(C)C(=O)c2cn(C)c(O)n2)C1 939401425 KDZWIACYYUFZOD-VHSXEESVSA-N 305.338 -0.042 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@@H](C)C#N)C1 941238033 QOQCPFNEDWBNQC-MJBXVCDLSA-N 302.378 -0.039 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2nnc(O)nc2O)[C@@H](C)C1 942285535 DJAYCRGRLUVGTH-UWVGGRQHSA-N 305.338 -0.254 30 20 DBED Cc1nn(CC(=O)N[C@H]2CCN(CC#N)C[C@@H]2C)c(=O)n1C 944491562 LTPVIZSIIIIGOD-JQWIXIFHSA-N 306.370 -0.760 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(CC1)CN(CC(=O)N(C)C)CCO2 949319847 CSBVOBIEGUSPNL-ZDUSSCGKSA-N 322.409 -0.072 30 20 DBED Cn1ncc(C(=O)N[C@H]2CCCN(C(=O)C#CC3CC3)C2)n1 950759366 RJWMTBFKQKYFKL-LBPRGKRZSA-N 301.350 -0.051 30 20 DBED C#Cc1cncc(C(=O)NC[C@@H]2CCN2C(=O)c2cnnn2C)c1 952011780 CMIKSDPVTYUTBC-ZDUSSCGKSA-N 324.344 -0.164 30 20 DBED C=CCn1cc(C(=O)N2CC(N(C)C(=O)[C@@H]3CCOC3)C2)nn1 953857941 ZIJHBVIFAIGGLA-LLVKDONJSA-N 319.365 -0.217 30 20 DBED CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N(C)C1CN(C(=O)C#CC2CC2)C1 955347330 QAEXACIHMJFSMG-KGLIPLIRSA-N 317.389 -0.207 30 20 DBED N#CCN1C[C@@H](O)[C@@H](CNC(=O)c2occ3c2CCOC3)C1 958291817 TUUYTYLTASKETB-GXFFZTMASA-N 305.334 -0.102 30 20 DBED C#CCCN1C[C@@H](O)[C@@H](CNC(=O)c2cnc(OC)nc2)C1 958561762 AZEVVSGHZMLERY-QWHCGFSZSA-N 304.350 -0.469 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cncnc2)C1 958829904 WDCHPXODSJKSHK-USWWRNFRSA-N 303.322 -0.720 30 20 DBED C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1CNC(=O)c1ccc(C#N)[nH]1 959570516 BTQXGTRVVCZKED-RKDXNWHRSA-N 303.322 -0.804 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)CCn3ccnn3)C[C@@H]2C1 961451985 ASVOJCZHBPTXPK-RWMBFGLXSA-N 316.365 -0.255 30 20 DBED C=CCCn1cc(C(=O)NC[C@@H]2COCCN2C(C)=O)nn1 964207752 RBXMJNWCLGBKJH-GFCCVEGCSA-N 307.354 -0.169 30 20 DBED N#CCNC1CC2(C1)CC(NC(=O)C[C@H]1CC(=O)NC1=O)C2 965954475 ATIFHXTUEMBATC-YMPWGHJTSA-N 304.350 -0.420 30 20 DBED C#CCCN1CCO[C@@]2(CCN(C(=O)CN3CCCC3=O)C2)C1 972247156 BBAGITREQPHBRY-KRWDZBQOSA-N 319.405 -0.065 30 20 DBED N#CCN1C[C@H]2C(CNC(=O)[C@@H]3Cc4cncn4C(=O)N3)[C@@H]2C1 978519409 HHTDPVAIWUVEKN-AVGNSLFASA-N 314.349 -0.817 30 20 DBED C#CCN1C[C@H]2[C@H](CNC(=O)c3nc(O)nc(O)c3OC)[C@H]2C1 978940021 JLMYGSZRLWZTJR-OWUUHHOZSA-N 318.333 -0.563 30 20 DBED CN1CC[C@H](C(=O)N2CCCN(CC#N)CC2)S1(=O)=O 982165985 WFMZRMLHWFXSLS-LLVKDONJSA-N 300.384 -0.922 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCC[C@H](N(C)C(=O)C(N)=O)C1 984349679 IRXYODVMTWYVMS-STQMWFEESA-N 320.393 -0.981 30 20 DBED N#Cc1cc(C(=O)N2CC[C@@H]3CN(C(=O)C(N)=O)C[C@@H]3C2)c[nH]1 986585870 WFKIEOLXKFDYLL-KOLCDFICSA-N 315.333 -0.708 30 20 DBED O=C(N[C@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1O)c1cn[nH]c1 991304519 YWBFYGNCSUZABC-STQMWFEESA-N 302.334 -0.485 30 20 DBED C#CCN1CC[C@]2(NC(=O)c3nnc(O)nc3O)CCC[C@H]12 991617025 APQDAJCIFCOCBB-LKFCYVNXSA-N 303.322 -0.357 30 20 DBED CC#CCN1CCC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@@H]1C 993332053 GPHAVXLEIOMEEY-RYUDHWBXSA-N 318.381 -0.631 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)Cc2cnc[nH]2)C1 1000022534 QISRUSGXIYVLLD-OLZOCXBDSA-N 304.350 -0.130 30 20 DBED Cc1nc(O)nc(O)c1CC(=O)NC1CCN(CC#N)CC1 1003837342 XIGFLUOUWVLBTA-UHFFFAOYSA-N 305.338 -0.157 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2C[C@@H](C)N(C(=O)C(N)=O)C2)nc1 1010286155 UYJXNCLHISONMI-ZYHUDNBSSA-N 314.345 -0.485 30 20 DBED C[C@@H]1C[C@@H](NC(=O)CN2CCOCC2)CN1C(=O)C#CC1CC1 1012580703 GNNJJZULIMMVRZ-UKRRQHHQSA-N 319.405 -0.162 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(CC(=O)N(C)C)C1 1014768335 BZVAQFBPAILAHL-KBPBESRZSA-N 306.410 -0.637 30 20 DBED C[C@H]1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)CN1C(=O)CC(N)=O 1018090773 APVHDXJPRUXETN-ONGXEEELSA-N 317.349 -0.129 30 20 DBED CN1CC[C@@H](N[C@H]2C[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)C1=O 1020091357 QJFVTOPCOGEZLM-NQBHXWOUSA-N 301.350 -0.033 30 20 DBED C#Cc1cncc(C(=O)N[C@H]2C[C@@H](NCc3nc(O)n[nH]3)C2)c1 1022685552 SXDIDWQRCJGEHE-TXEJJXNPSA-N 312.333 -0.063 30 20 DBED C=CCN[C@@H]1CC[C@@H]2CN(C(=O)c3cn(CC(N)=O)nn3)C[C@H]21 1026425226 CMLKRXYIZINJNT-IJLUTSLNSA-N 318.381 -0.610 30 20 DBED CN(C(=O)CN1CC(NC(=O)c2c[nH]c(C#N)c2)C1)C1CC1 1030230758 LIKXEOGNXYCGGS-UHFFFAOYSA-N 301.350 -0.079 30 20 DBED C#CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1COCCN1CC(F)F 1032540575 ICMDTWUSRHRNJQ-RWMBFGLXSA-N 313.348 -0.129 30 20 DBED C#CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[C@H](OC)CN1C(C)=O 1032541342 OGMCKCQKZFOREJ-ZQDZILKHSA-N 305.378 -0.460 30 20 DBED C=CCN1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]nc1S(N)(=O)=O 1032618272 PNWVVESARMAREU-IUCAKERBSA-N 311.367 -0.858 30 20 DBED C#CCCN1CCCC[C@@H](NC(=O)CN2CC(=O)NC2=O)C1 1034447006 CKGXONHDUAMYNL-GFCCVEGCSA-N 306.366 -0.468 30 20 DBED C#CCCN1CCCC[C@H](NC(=O)CN2CC(=O)NC2=O)C1 1034447007 CKGXONHDUAMYNL-LBPRGKRZSA-N 306.366 -0.468 30 20 DBED C[C@H]1CN(C(=O)CN2CCCS2(=O)=O)CC[C@@H]1NCC#N 1036051336 CFTSQXCTWINVIG-RYUDHWBXSA-N 314.411 -0.628 30 20 DBED N#CCN1CC[C@H]2CN(C(=O)CCN3C(=O)CCC3=O)CC[C@H]21 1036766309 WWCIJOHDHJMVBO-QWHCGFSZSA-N 318.377 -0.028 30 20 DBED Cn1nnc(CN2CC[C@H]2CNC(=O)c2cc(C#N)c[nH]2)n1 1038150223 DFWVVODFWZJWSV-JTQLQIEISA-N 300.326 -0.586 30 20 DBED C=CCCOCC(=O)N1CC[C@](O)(CNC(=O)c2nc[nH]n2)C1 1040550634 MOTFNBMISMRYIG-AWEZNQCLSA-N 323.353 -0.909 30 20 DBED Cc1ncoc1C(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1O 1040981718 ALDRRVWAMIJFEY-GHMZBOCLSA-N 314.305 -0.376 30 20 DBED CC1(C)C[C@@H]1C(=O)N1CC(O)(CNC(=O)CSCC#N)C1 1041569645 ZKLRCBXEYAOCID-SNVBAGLBSA-N 311.407 -0.021 30 20 DBED N#CCSCC(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@@H]3C[C@@H]3C2)C1 1041571440 ZOLSUTXSVLLQTB-GDNZZTSVSA-N 323.418 -0.021 30 20 DBED C=CCCOCC(=O)N1CC(O)(CNC(=O)C[C@H](C)OC)C1 1041948158 JTECANVPOLBVPZ-LBPRGKRZSA-N 314.382 -0.306 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)Cc2cc(C)[nH]n2)C1 1042480509 BJEJHIFBOWZCSA-UHFFFAOYSA-N 306.366 -0.084 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(O)CN(C(=O)c2ccon2)C1 1042806181 CCLAEPMKWHFPQG-CYBMUJFWSA-N 309.322 -0.695 30 20 DBED C#Cc1cncc(C(=O)N(C)C2CN(CC(=O)N(C)C)C2)c1 1043821240 FCKMNEVPKLGJRJ-UHFFFAOYSA-N 300.362 -0.093 30 20 DBED C[C@@H]1C[C@H](NCC#N)CCN1C(=O)c1cn(C)c(=O)n(C)c1=O 1044765764 XRPZMMVGZCTNIC-GHMZBOCLSA-N 319.365 -0.810 30 20 DBED Cc1nocc1C(=O)NCC1(O)CN(C(=O)C#CC(C)C)C1 1045532285 WQZDYYZTPVKWJJ-UHFFFAOYSA-N 305.334 -0.054 30 20 DBED CC#CCN1[C@H]2CC[C@H]1CN(C(=O)CN1CC(=O)NC1=O)CC2 1045864530 CZEFZKYEWBCZJO-STQMWFEESA-N 318.377 -0.373 30 20 DBED C=C1CC(C)(C(=O)NCC2(O)CN(C(=O)CCN(C)C)C2)C1 1046307788 YFTVLDFPSYKMAU-UHFFFAOYSA-N 309.410 -0.016 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CCC(=O)NC2)C1 1047406290 AHBXXJRZVNAEPD-RDBSUJKOSA-N 307.394 -0.571 30 20 DBED CC(C)C#CC(=O)N(C)[C@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1O 1048811401 WPSDZRUROZLPEO-QWRGUYRKSA-N 305.338 -0.892 30 20 DBED N#Cc1ccc(CN2C[C@H]3CN(C(=O)C(N)=O)C[C@H]3C2)s1 1049021482 WGWHEIRABOJXFQ-AOOOYVTPSA-N 304.375 -0.005 30 20 DBED C=C(C)CN1C[C@H]2CN(C(=O)CN3CC(=O)N(C)C3=O)C[C@H]2C1 1049168637 IVLFVDACJYKCKP-BETUJISGSA-N 320.393 -0.153 30 20 DBED Cc1nnc2n1C[C@H](C(=O)NC[C@H]1COCCN1CC#N)CC2 1051258313 MZLRMTOCVQECAK-OLZOCXBDSA-N 318.381 -0.511 30 20 DBED C#CCCN1CCN([C@@H]2CCN(C(=O)[C@@H]3CCNC3=O)C2)CC1 1052060195 ZNBAXMOAKBIXFS-HUUCEWRRSA-N 318.421 -0.636 30 20 DBED C=CCCC(=O)N1C[C@@H](C)[C@@H](CNC(=O)Cn2ncnn2)C1 1052182665 YGIRJVPWUJSZRX-NEPJUHHUSA-N 306.370 -0.150 30 20 DBED N#CCN1CC2(C1)CN(C(=O)c1cc3n(n1)CCC3)CCO2 1053280191 BYLYWYYKSOMYDJ-UHFFFAOYSA-N 301.350 -0.120 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)[C@H]1CC(=O)N[C@@H](C)C1)CCO2 1053322002 RUQKUKRKZMMAMT-UONOGXRCSA-N 319.405 -0.162 30 20 DBED C=CCN1CC2(C1)CN(C(=O)c1ccc(C(N)=O)[nH]1)CCO2 1053431575 NASFADACNXGCQG-UHFFFAOYSA-N 304.350 -0.174 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)[C@H]3CCNC(=O)CC3)CO2)C1 1053881437 JGMWTNSGJHKYBW-KGLIPLIRSA-N 319.405 -0.115 30 20 DBED C=CCOCC(=O)NCCN1CCC(NC(=O)COC)CC1 1055543926 JVJZIYWPOBVZTK-UHFFFAOYSA-N 313.398 -0.468 30 20 DBED N#Cc1nccnc1N[C@@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 1056618345 WJMHWSVWBRFALD-PSASIEDQSA-N 302.294 -0.531 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)[C@H]1CCCOC1 1057179929 PBYZZAMLRJIBLZ-ZDUSSCGKSA-N 314.382 -0.447 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)Cc1cnc[nH]1 1057197966 JADYQNQOTCBVBF-UHFFFAOYSA-N 310.354 -0.908 30 20 DBED C=C(C)C[C@@H](C)C(=O)NCCN(CCO)C(=O)c1cn(C)nn1 1057495972 YZCYCBLYSAZIJO-GFCCVEGCSA-N 323.397 -0.032 30 20 DBED N#Cc1cnc(N2CCC(NC(=O)[C@@H]3COC(=O)N3)CC2)cn1 1057864749 GYVCBUWSONLKJL-NSHDSACASA-N 316.321 -0.458 30 20 DBED Cc1nnc(CC(=O)N[C@H]2CCN(c3nccnc3C#N)C2)o1 1058347195 NLOFGDDLEBMKGN-JTQLQIEISA-N 313.321 -0.023 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)CCn1cccc1 1058655247 UOYUEWBHSKQMRK-CYBMUJFWSA-N 306.366 -0.025 30 20 DBED Cn1ccc(C(=O)N2CC[C@H](N=c3cc[nH]c(C#N)n3)C2)cc1=O 1059111163 RDQPLPZOISWULX-LBPRGKRZSA-N 324.344 -0.205 30 20 DBED Cn1cnc(C(=O)N[C@H]2C[C@@H](N=c3cc[nH]cc3C#N)C2)cc1=O 1059871073 RWFFULJAYPHAFQ-TXEJJXNPSA-N 324.344 -0.158 30 20 DBED CC#CCCCC(=O)N1CCOC[C@@H]1CNC(=O)CC(N)=O 1061443601 VTNJZCYLCPGRMY-LBPRGKRZSA-N 309.366 -0.601 30 20 DBED C#CCCCC(=O)NC[C@H]1COCCN1C(=O)c1cn(C)nn1 1061540788 RLSIDKKZEQQZFR-LBPRGKRZSA-N 319.365 -0.424 30 20 DBED C[C@@H](Nc1nccnc1C#N)C1CCN(C(=O)C(N)=O)CC1 1061875324 SVYFGCBJBFVLKP-SECBINFHSA-N 302.338 -0.127 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)CCCCC(N)=O 1061902415 NPGCWWDSMYVEQH-NWDGAFQWSA-N 324.381 -0.465 30 20 DBED Cn1cnc(C(=O)N2CCC[C@@H]2CN=c2cc[nH]c(C#N)n2)n1 1063479597 MDQNGHLODGLCTJ-SNVBAGLBSA-N 312.337 -0.385 30 20 DBED N#CCSCC(=O)N1CCO[C@@H](CNC(=O)c2cc[nH]n2)C1 1064881009 MMJTVERVPIYHSV-JTQLQIEISA-N 323.378 -0.376 30 20 DBED COC[C@H](OC)C(=O)NC[C@H]1CN(C(=O)C#CC2CC2)CCO1 1065137199 OCMHBIPWJLFLLY-KBPBESRZSA-N 324.377 -0.595 30 20 DBED C=C(C)CCC(=O)N1CCO[C@H](CNC(=O)CNC(C)=O)C1 1065221754 OBSPXRUKFIKBCO-CYBMUJFWSA-N 311.382 -0.178 30 20 DBED N#Cc1cnc(N2C[C@H](CNC(=O)c3cc[nH]n3)[C@@H](O)C2)cn1 1067651439 LVNJIUWZXPXTQD-CABZTGNLSA-N 313.321 -0.702 30 20 DBED C=CCCC(=O)N1CCOC2(C1)CN(C(=O)C1(C(N)=O)CC1)C2 1068346876 ZYDQMROIQIXCAX-UHFFFAOYSA-N 321.377 -0.342 30 20 DBED C=C(C)CCC(=O)N1CC2(CN(C(=O)CC(=O)NC)CCO2)C1 1068386610 WUUZJDGJXPPLFL-UHFFFAOYSA-N 323.393 -0.081 30 20 DBED C#CCOCCC(=O)N1CC2(C[C@@H](NC(=O)COC)CO2)C1 1068656197 IMSHSFDMWKJVTG-GFCCVEGCSA-N 310.350 -0.841 30 20 DBED N#Cc1ccc(N[C@@H]2CCC[C@H]3CN(C(=O)C(N)=O)C[C@H]32)nn1 1069319526 WFASCHIITZUFTH-MVWJERBFSA-N 314.349 -0.127 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(NC(=O)COC)CCOCC1 1069943020 XWKAXLMZFJDXFP-GFCCVEGCSA-N 312.366 -0.547 30 20 DBED C[C@@H](O)CN[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1n1ccnn1 1070192941 XPHDLDDMPXCFBV-BNOWGMLFSA-N 303.366 -0.586 30 20 DBED C=CCOCC(=O)NCC1(NC(=O)c2nc[nH]n2)CCOCC1 1070194368 SWWSLRSKCGLAHP-UHFFFAOYSA-N 323.353 -0.598 30 20 DBED CC(C)[C@H](C(=O)N1C[C@H](n2ccnn2)[C@H](NCC#N)C1)N(C)C 1070268256 GIWQXSSOVARFFK-HZSPNIEDSA-N 319.413 -0.271 30 20 DBED C#CCN[C@@H]1CN(C(=O)CN2CCCC2)C[C@@H]1n1ccnn1 1070327948 LASWJYKPBAIJDX-KGLIPLIRSA-N 302.382 -0.651 30 20 DBED C#CCN1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CCNC2=O)C1 1070419913 LITSZLIVJRQZSU-YPMHNXCESA-N 315.377 -0.416 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)[C@H]4CC(=O)N(C)C4)C[C@@]3(C1)O2 1070806132 DHNLPZFOZMCHHH-SZOQZIPDSA-N 317.389 -0.600 30 20 DBED C#CCCN1CCNC(=O)CCN(C(=O)c2cnco2)CC1 1070983657 AFCGEOGSUAHIIN-UHFFFAOYSA-N 304.350 -0.038 30 20 DBED C#CCOCCC(=O)N[C@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1C 1072522399 SZCIQRKKYPBUPO-QWRGUYRKSA-N 305.338 -0.579 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(O)(CNC(=O)[C@H]2CCCO2)CC1 1074703749 QMZUNXSDHXELGM-NWDGAFQWSA-N 309.366 -0.205 30 20 DBED CC(C)C#CC(=O)N[C@H]1CCN(C(=O)Cn2cnnn2)[C@@H](C)C1 1074972347 DZKVAIFNVPSKNX-STQMWFEESA-N 318.381 -0.172 30 20 DBED C[C@@H](CCNC(=O)c1cc(C#N)c[nH]1)NC(=O)c1cn(C)nn1 1076071367 PTDFOHVYSGMGOL-VIFPVBQESA-N 315.337 -0.047 30 20 DBED C=CCCC(=O)N[C@@H](C)CCNC(=O)Cn1ncn(C)c1=O 1077209886 BSZHOQZOSVUZQS-NSHDSACASA-N 309.370 -0.441 30 20 DBED Cc1ncc2n1C[C@@H](C(=O)N[C@@H]1CN(CC#N)C[C@H]1O)CC2 1077583911 SVKYGTPQEKDVMD-IACUBPJLSA-N 303.366 -0.561 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(Cc2ccnn2C)C[C@H]1O 1077694024 AWDGBFSFLRZWHY-TUVASFSCSA-N 320.393 -0.328 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)c2nnn(C)c2C(F)(F)F)C1 1077801494 ULBJZPIMMSRXER-HTQZYQBOSA-N 319.287 -0.205 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2ccccc2-n2ccnn2)C1 1078284079 YLZXNRXQFYWVRF-TZMCWYRMSA-N 312.333 -0.434 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(N(CC)C(=O)CN(C)C(C)=O)C1 1079345102 YHFCWFZEVYYZFT-GFCCVEGCSA-N 323.393 -0.438 30 20 DBED CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)C[C@H](C)NC(N)=O)C1 1080414724 RKQXTWPSFKAYEP-ZJUUUORDSA-N 309.370 -0.348 30 20 DBED CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)CN(C)C(=O)COC)C1 1080420282 QTRAIRQIJCMARN-NSHDSACASA-N 324.381 -0.690 30 20 DBED O=C(NC1(CO)CCN(C(=O)C#CC2CC2)CC1)c1cn[nH]c1 1080742295 HDQQDKVEWPTKMR-UHFFFAOYSA-N 316.361 -0.094 30 20 DBED C=CCCOCC(=O)NC1(CO)CCN(C(=O)COC)CC1 1080895651 UREBUDDQDJOTCT-UHFFFAOYSA-N 314.382 -0.305 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)Cc2n[nH]c(C)n2)C[C@@H]1O 1081336465 YOKUMBTVQBEERX-RYUDHWBXSA-N 321.381 -0.443 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2cccnn2)C[C@@H]1O 1081345216 ZXIZGJVDEUEVQV-AAEUAGOBSA-N 320.349 -0.772 30 20 DBED C=CCC1(C(=O)NC[C@H]2CN(C(=O)CC(N)=O)C[C@H]2O)CCC1 1081742280 RRJVYJHVIUFUGO-NWDGAFQWSA-N 323.393 -0.456 30 20 DBED N#Cc1cc(C(=O)N2CCCC[C@H]2CNC(=O)CC(N)=O)c[nH]1 1082014698 MBAKKOMTGYNWAX-LBPRGKRZSA-N 317.349 -0.127 30 20 DBED C=CCCn1cc(C(=O)N[C@@H]2CN(C[C@H](C)O)C[C@H]2OC)nn1 1082219200 ZZWHJSWVMGJNDF-OUCADQQQSA-N 323.397 -0.336 30 20 DBED Cn1nccc1[C@@H]1C[C@H]1C(=O)N1CCO[C@@H]2CN(CC#N)C[C@@H]21 1083150628 HMVQOECUVBQVSO-RJZRQDKASA-N 315.377 -0.041 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCCN(C(C)=O)C2)C1 1083617290 DOXNOAGTXYQTPC-KFWWJZLASA-N 307.394 -0.571 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@H]2COCCN2CC2CCC2)C1 1083670520 DAPIJZKYRPQIEK-OAGGEKHMSA-N 321.421 -0.718 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(C[C@H]3CCOC3)C[C@@H]2O)cn1 1083968833 GUYAGUQQPNMVGD-WQVCFCJDSA-N 315.373 -0.126 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(C[C@@H](C)OC)C[C@@H]2O)nc1 1083968882 JILQCIJNUNHHJW-DFBGVHRSSA-N 303.362 -0.127 30 20 DBED CCCC(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1CN(CC#N)C[C@@H]1O 1084084874 DTEKORDEPRTPSL-MCIONIFRSA-N 322.409 -0.148 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)Cn3ccc(O)nc3=O)[C@@H]2C1 1084494068 QPEBTMUCMKFWFE-VXGBXAGGSA-N 302.334 -0.885 30 20 DBED N#CCN[C@@H]1CCCC[C@H]1NC(=O)CN1CCC(=O)NC1=O 1085385530 DKQMSFFRBVVNJP-GHMZBOCLSA-N 307.354 -0.531 30 20 DBED CCN(c1cnc(C#N)cn1)[C@H](C)CNC(=O)[C@@H]1COC(=O)N1 1089636429 YSADSXFOIXHZIK-KOLCDFICSA-N 318.337 -0.212 30 20 DBED CCN(c1cnc(C#N)cn1)[C@H](C)CNC(=O)CNC(=O)NC 1089769545 ARBDUGKNQGIHHH-SNVBAGLBSA-N 319.369 -0.392 30 20 DBED N#CCN1CC[C@H](NC(=O)c2ccnn2CC(F)F)[C@@H](O)C1 1090266148 RPKNGOLFZSAZRJ-ONGXEEELSA-N 313.308 -0.163 30 20 DBED N#CCN1CC[C@H](NC(=O)c2n[nH]c3c2CCCC3)[C@H](O)C1 1090389435 WNJYGYVHNAMLQK-QWHCGFSZSA-N 303.366 -0.023 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cn(CCC=C)nn2)[C@H](O)C1 1090637839 LUGVEBPTCMMJHD-GXTWGEPZSA-N 303.366 -0.348 30 20 DBED CN(C)c1ccc(C(=O)N[C@@H]2CCN(CC#N)C[C@H]2O)nc1 1090840048 VTOHPUWWQUEOQI-TZMCWYRMSA-N 303.366 -0.164 30 20 DBED CC(=O)N[C@@H](C)C(=O)N1C[C@@H](N=c2cc[nH]c(C#N)n2)[C@H](C)C1 1090953681 HAIALPFGLXZWQR-JFGNBEQYSA-N 316.365 -0.446 30 20 DBED Cc1cc(C#N)nc(N2C[C@H](O)[C@H](NC(=O)[C@@H](C)C#N)C2)n1 1091079453 QGXHUPFRZHIHDB-AXTRIDKLSA-N 300.322 -0.518 30 20 DBED CCOCCC(=O)N[C@@H]1CCN(c2nccnc2C#N)C[C@H]1O 1092154465 WZWUHGLQVLEZBH-DGCLKSJQSA-N 319.365 -0.169 30 20 DBED C=CCN1CC2(C[C@@H](NC(=O)Cn3nccn3)c3nccn32)C1 1092373527 SZIOUZBQSYMCLQ-GFCCVEGCSA-N 313.365 -0.067 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)c3nccn32)C1 1092399446 SPSRJSUUUDMARM-VWYCJHECSA-N 314.349 -0.900 30 20 DBED CCc1nc(C#N)cc(NCCNC(=O)CNC(=O)C2CC2)n1 1093498065 ZLLQREDTPURTEV-UHFFFAOYSA-N 316.365 -0.035 30 20 DBED Cc1ccc(C#N)c(NCCNC(=O)C[C@@H]2CC(=O)NC2=O)n1 1093717432 MYVPWXNPLYURMJ-LLVKDONJSA-N 315.333 -0.157 30 20 DBED C#CCO[C@@H](C)C(=O)NCCNc1cc(C)nc2ncnn12 1093878408 OOVBTBGJGFKIHP-NSHDSACASA-N 302.338 -0.001 30 20 DBED CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NCCNc1ccc(C#N)nn1 1094141436 XAHVZDSUFXECEG-WDEREUQCSA-N 302.338 -0.399 30 20 DBED Cc1cc(C#N)nc(NCCNC(=O)c2cn(C)c(=O)cn2)n1 1094292134 URILPDXPVNEWFW-UHFFFAOYSA-N 313.321 -0.408 30 20 DBED CCNC(=O)CCC(=O)NCCCN=c1cc[nH]c(C#N)n1 1094333142 VMWJICGBULQWHW-UHFFFAOYSA-N 304.354 -0.395 30 20 DBED N#Cc1ccc(NCCCNC(=O)C2CC(=O)NC(=O)C2)nn1 1094495548 LLBUXZRZIUFXMG-UHFFFAOYSA-N 316.321 -0.681 30 20 DBED C#CCN1CCN(C(=O)c2ccncn2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094668376 IJRKJRJALSQKGC-QWHCGFSZSA-N 320.374 -0.967 30 20 DBED C#CCCN1CCN(C(=O)c2cnon2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094671571 KEHAFCKXWZTJFE-NWDGAFQWSA-N 324.362 -0.984 30 20 DBED CN1C[C@@H](C(=O)NCCCNc2ncccc2C#N)NC1=O 1094709707 XDFSEAUUKFXLIL-NSHDSACASA-N 302.338 -0.105 30 20 DBED C#CCCN1CC(N2C[C@H](NC(=O)CN3CCCC3)CC2=O)C1 1094816951 IAYOPPGPVHWJCG-CQSZACIVSA-N 318.421 -0.493 30 20 DBED CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC#N)O1 1096006480 BCJXFEJIVQWJMC-HTOAHKCRSA-N 320.393 -0.133 30 20 DBED CC(=O)N[C@H](C)C(=O)N[C@@H]1CCCN(c2cnc(C#N)cn2)C1 1096134405 IROOJMZZXHRFLB-ZYHUDNBSSA-N 316.365 -0.042 30 20 DBED C[C@H](CC(N)=O)C(=O)N[C@@H]1CCCN(c2cncc(C#N)n2)C1 1096218287 GIIAVEAQSGAKTM-GHMZBOCLSA-N 316.365 -0.055 30 20 DBED COCCOCC(=O)N[C@H]1CCN(c2cnc(C#N)cn2)C1 1096340232 HFVBLMHGRIUFRZ-NSHDSACASA-N 305.338 -0.294 30 20 DBED CNC(=O)C1(C(=O)N[C@H]2CCN(c3ccc(C#N)nn3)C2)CC1 1096396460 YCNNZYJCTHUXDQ-NSHDSACASA-N 314.349 -0.431 30 20 DBED CC(=O)NCC(=O)NC[C@@H](N=c1cc[nH]cc1C#N)C1CC1 1096559245 IIHHNOJKGKBINY-CQSZACIVSA-N 301.350 -0.182 30 20 DBED Cc1cc(C#N)nc(N[C@H](C)CNC(=O)[C@H]2CN(C)CCO2)n1 1097768128 GRYINTMDPHRGSD-DGCLKSJQSA-N 318.381 -0.096 30 20 DBED C#CCCN(CCO)C1CCN(C(=O)[C@H]2CN(C)C(=O)N2)CC1 1098447392 JUUZEFOJCCAPEN-CQSZACIVSA-N 322.409 -0.681 30 20 DBED C#CCCNCc1cn([C@@H]2CCN(C(=O)CNC(C)=O)C2)nn1 1098601857 WCYLGHYOIWCDMN-CQSZACIVSA-N 318.381 -0.700 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)c1nnn(C)n1)C[C@@H](C)O2 1098627468 RZDBDXFBYIFMMZ-GFCCVEGCSA-N 318.381 -0.461 30 20 DBED C[C@H]1CN(C(=O)[C@@H]2CNC(=O)N2)CC2(CCN(CC#N)CC2)O1 1098630460 FSDIRBXYUHWLLT-RYUDHWBXSA-N 321.381 -0.727 30 20 DBED C#CCN[C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1C(F)(F)F 1099256278 JOXXGVYWSSRENE-NXEZZACHSA-N 301.272 -0.110 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)/C=C\C2CC2)[C@H](O)C1 1099767001 TUJSWZCPQRJEPC-MEWZEZIVSA-N 307.394 -0.194 30 20 DBED CC#CCN1CC[C@H](NC(=O)COC2CCOCC2)[C@H](O)C1 1100024728 OSHGCNUFJRSXJN-LSDHHAIUSA-N 310.394 -0.243 30 20 DBED C#CCN1CC[C@H](NC(=O)CCCCN2CCOCC2)[C@@H](O)C1 1100033471 FQUVGKUMRMIMCK-HOTGVXAUSA-N 323.437 -0.327 30 20 DBED COCC#CCNC1CC(CNC(=O)[C@@]2(C)CNC(=O)C2)C1 1100529678 MBKZDTKHRRHYJM-SEEARECTSA-N 307.394 -0.353 30 20 DBED C#CCNC1CC(CNC(=O)Cn2nc3ccccn3c2=O)C1 1100555696 HIILBZVJTYIGEW-UHFFFAOYSA-N 313.361 -0.386 30 20 DBED C[C@H](NC(N)=O)C(=O)NC[C@H]1CCN(c2ccc(C#N)nn2)C1 1100969386 UEIGMWNBSQGXGD-VHSXEESVSA-N 317.353 -0.652 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H]2CN(C[C@H](C)O)C[C@@]2(C)C1 1101207645 LQCCJGXTOKKXJL-ZENOOKHLSA-N 307.394 -0.713 30 20 DBED C#CCOCCC(=O)N1C[C@H]2CN(CC(=O)NC)C[C@@]2(C)C1 1101235130 OFFYAECHDCCLRV-CJNGLKHVSA-N 307.394 -0.447 30 20 DBED CN(CCNc1nccnc1C#N)C(=O)[C@@H]1CCC(=O)NC1 1102027651 RNGCPLKHNFBPJI-SNVBAGLBSA-N 302.338 -0.255 30 20 DBED CC#CCN1C[C@@H](C)[C@H](CNC(=O)CS(=O)(=O)N(C)C)C1 1102537543 WUXZPOKZEOVXRS-CHWSQXEVSA-N 315.439 -0.415 30 20 DBED C[C@H](CC(N)=O)C(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(C#N)cn1 1102569938 JRNTYFAESVTIPY-USWWRNFRSA-N 314.349 -0.351 30 20 DBED CC#CCN[C@@H]1C[C@@]2(C[C@H]1O)CN(C(=O)C(N)=O)[C@H]2C(C)C 1105653417 UPPKIGUAZZWYCF-NFFDBFGFSA-N 307.394 -0.539 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H](O)CNc1nc(C)cc(C#N)n1 1105970790 MYCNRHDAKAFWGE-AAEUAGOBSA-N 317.349 -0.416 30 20 DBED N#Cc1nc(=NC[C@@H](O)CNC(=O)C2CC3(CC3)C2)cc[nH]1 1106100754 WUQDYCDXVJOLQL-LLVKDONJSA-N 301.350 -0.151 30 20 DBED Cc1cc(C#N)nc(NCC[C@@H](C)NC(=O)Cn2ncnn2)n1 1106455054 YVVPXJXDBXKNRG-SECBINFHSA-N 315.341 -0.350 30 20 DBED C#CCNC(=O)CC(=O)NC/C=C/CNc1cnc(F)cn1 1107130383 MIVWVLJBTWQIIX-ONEGZZNKSA-N 305.313 -0.161 30 20 DBED C#CCN1CC(n2cc(CNC(=O)[C@H](C)n3cncn3)nn2)C1 1107159439 PCTSJRXSZJBBRR-NSHDSACASA-N 314.353 -0.763 30 20 DBED CC#CCN1CCO[C@](C)(CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 1108024391 KABQMJFVROOUOE-BFYDXBDKSA-N 323.437 -0.064 30 20 DBED CC(C)(C)C(=O)C(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1 1108525650 OGGZCVYBEZHCDS-SNVBAGLBSA-N 306.366 -0.474 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H]1CC(=O)N(C2CN(CCC)C2)C1 1108546291 TVFCHHMOPCMGRI-OLZOCXBDSA-N 307.394 -0.164 30 20 DBED C[C@@H](CNc1cncc(C#N)n1)NC(=O)[C@H](C)S(C)(=O)=O 1108773660 JDUXTTJLXGKJCR-IUCAKERBSA-N 311.367 -0.302 30 20 DBED CNC(=O)CC(=O)N[C@H](C)CN(C)c1nc(C)cc(C#N)n1 1108950332 VQAYWZLUAGAGFR-SNVBAGLBSA-N 304.354 -0.266 30 20 DBED CC(=O)NCC(=O)N[C@]1(C)CCN(c2nc(C)cc(C#N)n2)C1 1110718726 NPAQCBUBICXQTN-OAHLLOKOSA-N 316.365 -0.122 30 20 DBED C[C@@H](C#N)C(=O)N[C@@]1(CO)CCCN(c2nccnc2C#N)C1 1111343178 OHBHFTUFXZYPOX-NHYWBVRUSA-N 314.349 -0.045 30 20 DBED N#Cc1c[nH]ccc1=NCCN(CCO)C(=O)[C@H]1CCCO1 1111412826 HFMASGHJLAFJBI-CQSZACIVSA-N 304.350 -0.213 30 20 DBED CC(C)[C@@H](O)C(=O)NC[C@@H]1COCCN1c1cncc(C#N)n1 1111682526 AFECNRRIDLIVSE-TZMCWYRMSA-N 319.365 -0.313 30 20 DBED C#CCNC(=O)CC(=O)N[C@]12CCC[C@H]1CN(C[C@@H](C)O)C2 1111712864 HZTMUEVBAOWTCF-WWGRRREGSA-N 307.394 -0.523 30 20 DBED N#Cc1cnc(N2Cc3ccc(CNC(=O)C(N)=O)cc3C2)cn1 1112276207 WANIJTNKDXAOHO-UHFFFAOYSA-N 322.328 -0.030 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(c2nccnc2C#N)C[C@@H]1O 1112720512 LPIWCIBZFLBGPZ-OCCSQVGLSA-N 313.361 -0.079 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)C[C@H]2COC(=O)C2)CC1 1112767161 HIVJELHXHWGCKL-QWHCGFSZSA-N 323.393 -0.226 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CN(C)C[C@@H]2C)CC1 1113345904 JMVIDPOSMGXNRK-KBPBESRZSA-N 306.410 -0.922 30 20 DBED C=CCN1CCN(C(=O)[C@@H](NS(C)(=O)=O)C(C)C)CC1 1113415275 UYUKUBKMAVVGGA-LBPRGKRZSA-N 303.428 -0.110 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)[C@]2(C)CCOC2)CC1 1113457735 AOEQODRCEPFGMG-XJKSGUPXSA-N 307.394 -0.305 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CCCNC1=O)N(C)c1nccnc1C#N 1113744201 LORVTTHINZOIDF-WDEREUQCSA-N 316.365 -0.185 30 20 DBED Cn1nnnc1CN1C[C@@H]2C(NC(=O)CSCC#N)[C@H]2C1 1113891202 NZNXXJMSXCVTRD-IUCAKERBSA-N 307.383 -0.987 30 20 DBED C[C@@H](CNC(=O)CC(=O)N(C)C)N(C)c1ccnc(C#N)n1 1113917529 WLZIQULNLGQAFR-JTQLQIEISA-N 304.354 -0.233 30 20 DBED Cc1cc(C(=O)NC2[C@H]3CN(CC(=O)NCC#N)C[C@H]23)nn1C 1113947541 CEFSIEUMCLCJES-QWRGUYRKSA-N 316.365 -0.972 30 20 DBED C[C@H]1C[C@@H](CNc2cncc(C#N)n2)CN1C(=O)CNC(N)=O 1114662765 BHMNKEPHNREAOZ-UWVGGRQHSA-N 317.353 -0.335 30 20 DBED Cc1nocc1C(=O)NC1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]12 1114761374 KKHQGXTZNGAEGV-NXEZZACHSA-N 303.322 -0.717 30 20 DBED C=CCN1CC[C@H](NC2(CNC(=O)C(N)=O)CCCCC2)C1=O 1115701924 MUGVBYQBQFLGNN-LBPRGKRZSA-N 322.409 -0.333 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)NCCCCS(C)(=O)=O 1118154710 DXCHETRDMRHYGX-SNVBAGLBSA-N 311.429 -0.263 30 20 DBED Cc1ocnc1CNC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1119074265 OTOWZNAUVYNWKT-LBPRGKRZSA-N 317.349 -0.202 30 20 DBED Cn1cc(CC(=O)NC[C@@H](CO)Nc2ccc(C#N)nc2)cn1 1121189825 CQGULJHXJGSTJN-AWEZNQCLSA-N 314.349 -0.182 30 20 DBED N#Cc1cccnc1N[C@H](CO)CNC(=O)[C@@H]1CCNC(=O)C1 1121310700 LDRWKAJQIKBXDC-PWSUYJOCSA-N 317.349 -0.632 30 20 DBED C[C@@H]1C[C@@H](N=c2cc[nH]c(C#N)n2)CN1C(=O)CCCC(N)=O 1123243707 PULBXIMJZJXFBO-GHMZBOCLSA-N 316.365 -0.173 30 20 DBED CCNC(=O)CC(=O)N(C)C[C@H](O)CNc1nccnc1C#N 1124314442 CKOYQXASIGHSJV-SNVBAGLBSA-N 320.353 -0.894 30 20 DBED C=CCOCCCC(=O)NCCNCC(=O)N1CCOCC1 1125248059 NUXQSEDCQCJBHK-UHFFFAOYSA-N 313.398 -0.466 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)[C@@H](C)n1cncn1 1125917668 GBRFKVIARZDWII-CYBMUJFWSA-N 320.397 -0.255 30 20 DBED CC(C)C#CC(=O)NCCNCCCS(=O)(=O)N(C)C 1126823834 ZXSGYRJDZKDMNX-UHFFFAOYSA-N 303.428 -0.367 30 20 DBED C=CCC[C@@H](C)N1C[C@H](n2ccnn2)[C@H](NC(=O)C(N)=O)C1 1129210381 SJJNUUGRJAXITG-UTUOFQBUSA-N 306.370 -0.540 30 20 DBED C#CCCN[C@@H]1CN(C(=O)c2[nH]nnc2C)C[C@@H]1n1ccnn1 1129954676 ZDQHOIHDDJUPOJ-NEPJUHHUSA-N 314.353 -0.617 30 20 DBED N#CCNC(=O)CNCCNC(=O)[C@H]1CC[C@@H]2CCCCN21 1130192661 QMBJMMOHRMXVSP-QWHCGFSZSA-N 307.398 -0.651 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CCc2nccn2C1 1130481240 NRGZCCOCVMPEBM-QWHCGFSZSA-N 319.409 -0.158 30 20 DBED CCOCC(=O)NCc1nc([C@@H]2COCCN2CC#N)n[nH]1 1130828804 OKSHTRZQTAAOOC-JTQLQIEISA-N 308.342 -0.646 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1cc2cnccc2o1 1130860760 PJBILECDFOLWCO-UHFFFAOYSA-N 301.306 -0.213 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1ccc(COC)o1 1131077220 LABRHISNFJGTGZ-LLVKDONJSA-N 307.350 -0.117 30 20 DBED CCC(=O)N1C[C@H](C)O[C@]2(CCN(CC(=O)NCC#N)C2)C1 1131615073 CPSPZQCYBDQVTR-WFASDCNBSA-N 308.382 -0.272 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)c1coc(C(N)=O)c1 1131786387 PSXHEQPZFPJOBA-VIFPVBQESA-N 308.338 -0.611 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)COCC=C)CC[C@@H]1C 1131945933 DFKOGIGHMHRGEY-KBPBESRZSA-N 307.394 -0.093 30 20 DBED C[C@@H]1CC[C@@H](NC(=O)c2cncnc2)CN1CC(=O)NCC#N 1131973110 YFLBMYQXDZARPD-DGCLKSJQSA-N 316.365 -0.301 30 20 DBED C[C@H]1CC[C@H](NC(=O)CN(C)S(C)(=O)=O)CN1CC#N 1132076910 DLGKUOMZTPRFNY-QWRGUYRKSA-N 302.400 -0.630 30 20 DBED C[C@@H]1CC[C@H](NC(=O)CCn2ncn(C)c2=O)CN1CC#N 1132198787 BLZDPTAAPKIOQL-NEPJUHHUSA-N 306.370 -0.535 30 20 DBED C[C@@H]1CCN(C(=O)C(F)F)C[C@H]1CNCC(=O)NCC#N 1132573059 WQRCSUPUHVSOIB-NXEZZACHSA-N 302.325 -0.035 30 20 DBED C=C1CCC(C(=O)NCCNCC(=O)N2CCNC(=O)C2)CC1 1133362523 JKBXWGAQBWWHCW-UHFFFAOYSA-N 322.409 -0.603 30 20 DBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCNCc1nnn(C)n1 1135058691 YUTZAXSFAPLBQD-AAEUAGOBSA-N 308.386 -0.213 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)c1n[nH]cc1F)NCC(=O)NCC#N 1135408186 UBOMPZIIQGCCTF-DTWKUNHWSA-N 310.333 -0.325 30 20 DBED C[C@@H](C[C@H](C)NC(=O)c1n[nH]cc1F)NCC(=O)NCC#N 1135408187 UBOMPZIIQGCCTF-IUCAKERBSA-N 310.333 -0.325 30 20 DBED CCS(=O)(=O)N(C)CC(=O)N[C@@H](C)C[C@@H](C)NCC#N 1135820435 AWFYPGRXYKPSJB-MNOVXSKESA-N 304.416 -0.336 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC2(CCN(Cc3nnn(C)n3)C2)C1 1147530341 JSUQINHMHZRKEG-LBPRGKRZSA-N 318.381 -0.717 30 20 DBED COCC#CCN1CCCO[C@H](CNC(=O)Cc2ncc[nH]2)C1 1150507610 ICXSBELHGXORFF-CQSZACIVSA-N 320.393 -0.191 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@H](C)n1nc(C)cc1C 1153301726 RDCJBYFHDRWMDI-ZDUSSCGKSA-N 305.382 -0.484 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H](C)N(CC)CCN1CCNC1=O 1153306245 GFFHXCZJXDRTOF-KGLIPLIRSA-N 324.425 -0.124 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)c1cc(C)n(C)n1 1155235855 GRTMXETWNUGSHX-GFCCVEGCSA-N 305.382 -0.424 30 20 DBED C#CCNC(=O)CC(=O)NCCCNCc1nnc(C(C)C)o1 1156853063 WVEALSNBZZLVAS-UHFFFAOYSA-N 321.381 -0.072 30 20 DBED CCOC1CC(CC(=O)NCCCNCC(=O)NCC#N)C1 1164472744 ZVUBGTWPXBMVLN-UHFFFAOYSA-N 310.398 -0.073 30 20 DBED C[C@@H](CC(=O)NCCCNCC(=O)NCC#N)N1CCCC1=O 1171012127 VSVSGIPTAXXLSB-LBPRGKRZSA-N 323.397 -0.877 30 20 DBED CC#CCNCCCNC(=O)CNS(=O)(=O)CCCC 1174722528 PVLOLPXSQVCACG-UHFFFAOYSA-N 303.428 -0.175 30 20 DBED COCC#CCNCCCNC(=O)c1cccc(C(N)=O)n1 1177165555 XCZHVXCWCHKTBT-UHFFFAOYSA-N 304.350 -0.460 30 20 DBED C=CCO[C@@H](C)C(=O)NCCCNC[C@H](O)Cn1cccn1 1177277369 QWYVLNLGBPMSJJ-KBPBESRZSA-N 310.398 -0.069 30 20 DBED COCC#CCN[C@H]1CCN(C(=O)CN2CCOCC2)[C@H]1C 1178485240 CVCCZIBSIRUWMG-GJZGRUSLSA-N 309.410 -0.453 30 20 DBED CC(C)CNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)[C@H](C)C#N)C1 1181662496 NAHIGDYBRFWOLX-VXGBXAGGSA-N 323.397 -0.182 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2nnn(C)c2C)C1 1181812045 NDSFEOYZVDNEDB-CMPLNLGQSA-N 318.381 -0.934 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)C[C@H]2CCCC(=O)N2)C1 1184100718 QXGHLBKYMBQLDC-CHWSQXEVSA-N 322.409 -0.462 30 20 DBED NC(=O)CNC[C@H]1CN(C(=O)C#CC2CC2)CC12CCOCC2 1186367578 AEMAXSUIVVNARL-AWEZNQCLSA-N 319.405 -0.270 30 20 DBED N#CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3ncc[nH]3)[C@@H]2C1 1187780596 YOGIGHWRFJNLOT-WDEREUQCSA-N 302.338 -0.804 30 20 DBED C=CCO[C@H](C)C(=O)N1CC[C@H]2CN(Cc3nnn(C)n3)C[C@H]21 1190439964 DXPVXKZKQNNLNM-FRRDWIJNSA-N 320.397 -0.166 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(Cc2cnn(CC)n2)C[C@H]1O 1192530389 NOODGFKFGRVUDE-UMVBOHGHSA-N 323.397 -0.714 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCCN(C(=O)c2cnnn2C)CC1 1195692346 YTPIUDXTKPCZGN-GFCCVEGCSA-N 318.381 -0.899 30 20 DBED C=CCCO[C@@H](C)C(=O)N1CCCO[C@H](CNCC(N)=O)C1 1200047568 DMZYZMPMFMLSLT-QWHCGFSZSA-N 313.398 -0.340 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)C#CC(C)C)CCCO1 1200461218 GAZRNRSGGNWELH-OAHLLOKOSA-N 319.405 -0.398 30 20 DBED CC#CCNC1CCN(C(=O)[C@H](C)NS(C)(=O)=O)CC1 1202666795 BOUYPCSNNQTKLO-NSHDSACASA-N 301.412 -0.472 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)c2cn(CC)nn2)CC1 1203115756 VYIFRYPYSIXSPA-UHFFFAOYSA-N 320.397 -0.206 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2ccncc2)[C@H](C)C1 1205737173 PTXYPCBNXPFLHL-TZMCWYRMSA-N 300.362 -0.119 30 20 DBED N#CCNC(=O)CNCC1CCN(C(=O)[C@@H]2[C@H]3COC[C@H]32)CC1 1205955418 RPTJSGAKPGUHIK-NHAGDIPZSA-N 320.393 -0.653 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(CC[C@@H]2CCOC2)C[C@H]1C 1206887544 PQCFTFOJMRFQBV-RBSFLKMASA-N 321.421 -0.011 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)c2cnnc(O)c2)[C@H](C)C1 1207652655 FPTMNCQCYRZEEW-ZYHUDNBSSA-N 319.365 -0.466 30 20 DBED COCC#CCN[C@@H]1CCCN(C(=O)C(=O)NCC(F)F)C1 1208477305 DVVGYZUGJNAYDG-LLVKDONJSA-N 317.336 -0.402 30 20 DBED C#CCCN[C@@H]1CCCN(C(=O)[C@H](CCC(N)=O)NC(C)=O)C1 1210154434 MFLWMPLQZPILFV-KGLIPLIRSA-N 322.409 -0.640 30 20 DBED N#CCNC(=O)CN[C@H]1CCCN(C(=O)c2ccncn2)C1 1210197964 FXDJHBVIDPYZHV-NSHDSACASA-N 302.338 -0.689 30 20 DBED CO[C@@H]1CN(CC(=O)NCC(C)C)C[C@H]1NC(=O)[C@@H](C)C#N 1212045452 NYEAOQJDYCDXSH-YNEHKIRRSA-N 310.398 -0.266 30 20 DBED CC#CCN1C[C@@H](NC(=O)[C@H](C)CS(C)(=O)=O)[C@H](OC)C1 1213934064 JWPGKTFUVKQRJZ-JHJVBQTASA-N 316.423 -0.494 30 20 DBED C=CCCN[C@@H]1CN(C(=O)CNC(=O)CNC(C)=O)C[C@H]1C 1214990210 FPRAEKMOAXVWCL-DGCLKSJQSA-N 310.398 -0.749 30 20 DBED C=CCOCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1C[C@H]1C(N)=O 1218639919 YOWSTBBBEGSPCJ-ZOBORPQBSA-N 323.393 -0.778 30 20 DBED C=CCCC(=O)N[C@@H]1CN(C[C@H]2CCS(=O)(=O)C2)C[C@@H]1O 1219344204 FBNNDXAUEIBASF-UPJWGTAASA-N 316.423 -0.451 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)/C=C\C2CC2)C1 1219420270 OCBYAJGHPBBPOG-XVPFFRRHSA-N 305.378 -0.748 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C[C@H](C)SC)C1 1219484366 PTHJYJUTQVLPDQ-TUAOUCFPSA-N 315.439 -0.409 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)CCc2cnccn2)C1 1220692081 JWHDVSQDBBZPFR-CABCVRRESA-N 318.377 -0.780 30 20 DBED C=CCOCC(=O)N1C[C@H]2CCN(Cc3nnnn3C)C[C@H]21 1221443104 KYHGVHDNAFVRFR-VXGBXAGGSA-N 306.370 -0.555 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@H]2CCN(CC(=O)NC3CC3)C[C@H]21 1221540807 BIZUJGRPBVVELD-UMVBOHGHSA-N 319.405 -0.164 30 20 DBED COCC#CCN1CCC(CNC(=O)[C@H]2CCNC2=O)CC1 1224024468 LZSHDKBLIOVDFU-AWEZNQCLSA-N 307.394 -0.400 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1COC(=O)N1 1225975851 DMZRHQKIAOESQR-UTUOFQBUSA-N 324.381 -0.586 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC(NC(=O)c2csnn2)CC1 1228492272 AUIZKTKIJPSIDG-JTQLQIEISA-N 321.406 -0.130 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCN(C)C1 1230138828 RPTCIIVPWIZYSF-RBSFLKMASA-N 320.437 -0.296 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC(NC(=O)Cn2ccnc2)CC1 1230438514 UDQUJQFMMKBDKW-CYBMUJFWSA-N 317.393 -0.398 30 20 DBED C#CCN1CCS(=O)(=O)[C@H](CCNC(=O)C#CC(C)C)C1 1230459107 BJOQSOLNTPAEMP-CQSZACIVSA-N 310.419 -0.116 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)Cn1cccn1 1230769893 HNWZXWOTVYKVEH-CYBMUJFWSA-N 303.366 -0.835 30 20 DBED CCCNC(=O)NC(=O)CN1CC[C@@H]1CN(C)C(=O)[C@H](C)C#N 1231246222 DXSQUYMTVAQCNP-VXGBXAGGSA-N 323.397 -0.085 30 20 DBED Cc1cncc(CC(=O)N[C@H]2CCN(CC(=O)NCC#N)C2)c1 1316979554 DBAPFAXKCZCYKC-AWEZNQCLSA-N 315.377 -0.237 30 20 DBED COC[C@H](C#N)OC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 1320925183 RGRNSHVORJVIQD-JGEDTMQMSA-N 308.290 -0.769 30 20 DBED CC[C@H](C)N1CCN(C(=O)C(=O)N2CCO[C@@H](C#N)C2)CC1 1324889454 GTVBKCWXYHSRTJ-STQMWFEESA-N 308.382 -0.320 30 20 DBED CC(C)C(=O)N[C@@H](CO)C(=O)NCC1CCN(CC#N)CC1 1326067186 WXUUCTSSCLYRNF-ZDUSSCGKSA-N 310.398 -0.529 30 20 DBED CCN(C(=O)C(=O)Nc1cccc(C#N)n1)[C@@H]1CCNC1=O 1326077632 NTVXTGKOTIAZNB-SNVBAGLBSA-N 301.306 -0.371 30 20 DBED CO[C@]1(C)CCCN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)C1 1326228215 VMEQVFNSVZPGMJ-CABCVRRESA-N 309.366 -0.109 30 20 DBED C#CC[C@H](CO)NC(=O)[C@@H](C)S(=O)(=O)C1CCOCC1 1326345234 YMTSDOIQUMBHLD-GHMZBOCLSA-N 303.380 -0.531 30 20 DBED Cc1nn(C)c(C)c1C(=O)C(=O)NCCn1cnc(C#N)n1 1326435954 XHIPIZPRDRCJEO-UHFFFAOYSA-N 301.310 -0.501 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)NCc1cnn(CCOC)c1 1327227388 NNGHJVSYQAWYPG-GFCCVEGCSA-N 310.354 -0.537 30 20 DBED COC(=O)NC1CN(C(=O)C(=O)NCC#Cc2ccccc2)C1 1327378029 FEIHRJBCZPGYJG-UHFFFAOYSA-N 315.329 -0.279 30 20 DBED N#CCCCCNC(=O)C(=O)N1CC[C@H](N2CCOC2=O)C1 1328903248 OVAUWJHHKJTRLG-NSHDSACASA-N 308.338 -0.150 30 20 DBED COCCOCCCNC(=O)C(=O)N1CC[C@](O)(CC#N)C1 1329315748 SMSMDLJDPBAGRH-CQSZACIVSA-N 313.354 -0.967 30 20 DBED N#CCCC[C@@H](N)C(=O)N1CCC[C@@H](C(=O)N2CCNCC2)C1 1329465602 PVPSPAAUCOKSTR-ZIAGYGMSSA-N 321.425 -0.322 30 20 DBED COCC#CC(=O)NCC1(N2CCOCC2)CCN(C)CC1 1330861916 IYUABRAQLQPWQS-UHFFFAOYSA-N 309.410 -0.451 30 20 DBED CC(C)NCCCNC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1331306130 JOGOMMCFYAOPOR-CQSZACIVSA-N 321.425 -0.311 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](CO)C2)CCN1C1CC1 1332007638 WZTFSLJWNHXUQM-WCQYABFASA-N 306.366 -0.974 30 20 DBED N#C[C@]1(F)CCN(C(=O)C(=O)N2CC[C@@H]3COC(=O)N[C@H]3C2)C1 1332371460 DDKDVNUAMJIQMO-ISTVAULSSA-N 324.312 -0.593 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N[C@H](COC)C(C)C)nn1 1345697986 FEHGRPDGHWXIOC-GFCCVEGCSA-N 309.370 -0.133 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)C(=O)N[C@H]2CCN(C3CC3)C2)C1 1345857299 YNZCMQZRTGOCKR-XHDPSFHLSA-N 306.366 -0.784 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCCC[C@@H]1C1OCCO1 1346544200 SIYBFNCLLGPUBU-GFCCVEGCSA-N 310.350 -0.494 30 20 DBED Cc1n[nH]c(C)c1CC(=O)NCCn1cc(C#N)c(O)nc1=O 1363481662 IRSUSXNQCHQUOV-UHFFFAOYSA-N 316.321 -0.481 30 20 DBED CCC[C@H](C(=O)N1CCN(CCC#N)CC1)S(N)(=O)=O 1364497056 NHYIQRZEQCSAMQ-LLVKDONJSA-N 302.400 -0.499 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCN(C)C(=O)c1ccc2nnnn2c1 1376339536 XMAYSSYXBYIZFL-JTQLQIEISA-N 315.337 -0.186 30 20 DBED N#Cc1ccc(C(=O)NC[C@H](O)CNC(=O)c2ccc[nH]2)[nH]1 1376502885 WQNHDDORIMXVAH-SNVBAGLBSA-N 301.306 -0.265 30 20 DBED CCN(C(=O)CNC(=O)OC)[C@H]1CCN(C(=O)[C@@H](C)C#N)C1 1390095635 ORXOELFCSRYDQJ-QWRGUYRKSA-N 310.354 -0.049 30 20 DBED Cn1nnc(CNC2(CNC(=O)c3cc(C#N)c[nH]3)CCC2)n1 1393549851 YVPDMKLMDLQORA-UHFFFAOYSA-N 314.353 -0.148 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CN(C)C(=O)c1ccc(F)cn1 1405587932 PBNWSASBNGPSAC-MWLCHTKSSA-N 308.313 -0.071 30 20 DBED CCn1cc(C(=O)NCCN(C)C(=O)c2ccc(C#N)[nH]2)nn1 1408674941 OHARKFNNLQTFTK-UHFFFAOYSA-N 315.337 0.000 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNCC(=O)NCCC(C)(C)C 1422263427 IFINZQUTWNLHNI-RYUDHWBXSA-N 312.414 -0.235 30 20 DBED C=C(Cl)CN(C)C[C@@H](C)NC(=O)CNC(=O)CNC(C)=O 1422855067 JRORZKMYHXWQGQ-SNVBAGLBSA-N 318.805 -0.572 30 20 DBED Cc1nn(C)cc1CC(=O)NC[C@H](O)CNC(=O)[C@@H](C)C#N 1433305822 OVZJEAHNNRVENW-CABZTGNLSA-N 307.354 -0.976 30 20 DBED C=C(Cl)CN1CCO[C@H](CNC(=O)CCn2cnnn2)C1 1444473678 SKOATTIIMZABIX-LLVKDONJSA-N 314.777 -0.367 30 20 DBED COc1ccnc(C(=O)N(C)C[C@@H](O)CNC(=O)[C@H](C)C#N)c1 1444708347 SZDXZZNGALYLCC-MNOVXSKESA-N 320.349 -0.201 30 20 DBED CCCc1cc(C(=O)NCCn2cc(C#N)c(O)nc2=O)n[nH]1 1453823276 BLRCPGHRASXXPJ-UHFFFAOYSA-N 316.321 -0.074 30 20 DBED CNC(=O)NCCC(=O)N(C)CCNC(=O)c1cc(C#N)c[nH]1 1455194263 UXHWRUDQHHMMOI-UHFFFAOYSA-N 320.353 -0.606 30 20 DBED C[C@@H]1[C@H](NC(=O)N2CC[C@@](O)(CC#N)C2)CCS1(=O)=O 1479096209 RDRAFJQHJTZXKC-FOGDFJRCSA-N 301.368 -0.378 30 20 DBED C=CCN1CC[C@@H](NC(=O)CN(C)S(=O)(=O)N(C)C)C1 1479953169 DMFSHJUSYBPEDJ-LLVKDONJSA-N 304.416 -0.899 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2ccnn2CC)C1 1490818245 AZABSPSYNRQMIY-LBPRGKRZSA-N 303.366 -0.544 30 20 DBED N#CCCn1ncc(C(=O)O)c1NC(=O)C[C@@H]1CCNC1=O 1574241262 KHJXEFRADHILDE-QMMMGPOBSA-N 305.294 -0.040 30 20 DBED C#CCCCC(=O)NC[C@@H](C)N(C)CC(=O)NCc1cnn[nH]1 1574867945 ZUATZGCMWAYHMB-GFCCVEGCSA-N 320.397 -0.339 30 20 DBED N#CCNC(=O)CN[C@H]1C[C@H](NC(=O)CCCc2cnn[nH]2)C1 1577709943 JANDKVUEJTYVIO-HAQNSBGRSA-N 319.369 -0.996 30 20 DBED COCCN(C)CCNc1cnc(C#N)c(-c2nn[nH]n2)n1 1579791509 UIMZVSWCJZMQMU-UHFFFAOYSA-N 303.330 -0.482 30 20 DBED C#CCN(CC(=O)O)C(=O)NCc1ccc(-n2cncn2)nc1 1588409332 WKKHPUCVGUONPO-UHFFFAOYSA-N 314.305 -0.108 30 20 DBED C[C@@](C#N)(NC(=O)CN1CCN(C(=O)C(=O)O)CC1)C1CC1 1588542706 CDRWOJFTVOTDCF-AWEZNQCLSA-N 308.338 -0.976 30 20 DBED C=C(C)COCCn1nnnc1N1CC[C@](OC)(C(=O)O)C1 1588573695 SRXFAGCSPLLGFB-CYBMUJFWSA-N 311.342 -0.054 30 20 DBED C[C@H](C(=O)O)N(C1CC1)S(=O)(=O)N1CCO[C@H](C#N)C1 1588592625 CYQUUEUMAQPIBO-PSASIEDQSA-N 303.340 -0.607 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N1C[C@@H](C)O[C@@H](C(=O)O)C1 1588692695 HXGMUZULOGEVIO-KXUCPTDWSA-N 300.311 -0.996 30 20 DBED N#Cc1ccc(NCC(=O)N[C@@H](Cn2cncn2)C(=O)O)cc1 1601108110 BPQJTEANMVXWGD-LBPRGKRZSA-N 314.305 -0.169 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@@H](C(=O)O)C(C)C)CC1 1602701924 CWBBUILYCOAYQC-ZDUSSCGKSA-N 309.366 -0.763 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H](C)CCNC(=O)c1nnn(C)c1C 1674176916 BSSFZFQWOSWUOV-QWRGUYRKSA-N 320.397 -0.641 30 20 DBED COCC#CCN[C@H](CNC(=O)[C@H]1CCNC(=O)C1)C1CC1 1752454624 NYRMXPYIYMJPMB-UONOGXRCSA-N 307.394 -0.353 30 20 DBED COCCN1C[C@@H](C(=O)N2CC[C@H](CNCC#N)C2)CC1=O 1752938318 PESXSTWCCJCKTD-OLZOCXBDSA-N 308.382 -0.557 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H](CNC(=O)c1cnon1)C(C)C 1753844331 ZSDGNNZZTHQXPG-QWRGUYRKSA-N 307.354 -0.449 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CNC(=O)[C@H]1CCN(C)[C@@H](C)C1 1754491050 BCWGLVCSQYSYDH-SOUVJXGZSA-N 320.437 -0.343 30 20 DBED CC#CCN1CC[C@](C)(NC(=O)CCc2nnc(O)nc2O)C1 1754674783 CJTVREUMOJXVSU-HNNXBMFYSA-N 319.365 -0.181 30 20 DBED C=CCNC(=O)[C@H](C)N1CC(CCO)(NC(=O)c2ccc[nH]2)C1 1755329972 LXZAVXCLHPBEMV-LBPRGKRZSA-N 320.393 -0.128 30 20 DBED C=C(C)CCN1C[C@H]2C(CNC(=O)C[C@@H]3NC(=O)NC3=O)[C@@H]2C1 1755425422 OFRJOGOYPRDTLP-AVGNSLFASA-N 320.393 -0.155 30 20 DBED C[C@@H](CN(C)C(=O)C1(n2cnnn2)CCOCC1)NCC#N 1755608916 LLUDSFNAQYWCPN-NSHDSACASA-N 307.358 -0.861 30 20 DBED CC#CCNC[C@H](O)CN(C)C(=O)c1nc2ncc(C)cn2n1 1755782150 QAMQKMXKCCKVMJ-LBPRGKRZSA-N 316.365 -0.521 30 20 DBED C=C[C@@](C)(O)CC(=O)N(C)C[C@H](C)NC(=O)Cc1n[nH]c(C)n1 1756447499 BGUKLMGCAJMOKW-ZUZCIYMTSA-N 323.397 -0.054 30 20 DBED C=CCCC(=O)NC[C@@H](CO)NC(=O)c1ccc(=O)n(C)c1 1756518579 JRXXLONIYWOGFO-LBPRGKRZSA-N 307.350 -0.442 30 20 DBED C=C1CC(C)(C(=O)N[C@H](CO)CNC(=O)Cn2ccnc2)C1 1756529769 HHXZJNPMMXZLCU-LBPRGKRZSA-N 306.366 -0.167 30 20 DBED C[C@@H]1C[C@@H](NC(=O)C2(NC(N)=O)CC2)CN1C(=O)C#CC1CC1 1756588152 OBGDMFBRLBIZLF-ZYHUDNBSSA-N 318.377 -0.294 30 20 DBED C[C@H](C(=O)N(C)C[C@@H](O)CNC(=O)C#CC1CC1)n1cccn1 1756654523 WYSGMEWXPNJJDG-OCCSQVGLSA-N 318.377 -0.207 30 20 DBED C#CCCCCC(=O)N1C[C@H](O)[C@H](NC(=O)CC(=O)NCC)C1 1757167128 IATMXGXDEZARJV-OLZOCXBDSA-N 323.393 -0.606 30 20 DBED C=CCC(F)(F)C(=O)N1CC2(CCCN2C(=O)[C@@H](N)CN)C1 1843350775 YHBAPGAQFDAFKU-JTQLQIEISA-N 316.352 -0.313 30 20 DBED CC(=O)NCCNC(=O)N1CCN(c2ccc(C#N)cn2)CC1 52498793 OSHHJKYDFNZIQJ-UHFFFAOYSA-N 316.365 -0.079 30 20 DBED C=CCN(CC=C)CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1 52868809 UJFXCLBMYYYJPJ-LLVKDONJSA-N 315.395 -0.327 30 20 DBED C=CCNC(=O)CN1C(=O)N[C@](CC)(c2cnn(C)c2)C1=O 130160401 RNWULRKFQIMUJD-CQSZACIVSA-N 305.338 -0.121 30 20 DBED C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N(C)C[C@@H](C)C#N 143235597 OCPLJGKRTNGYCD-IUCAKERBSA-N 307.354 -0.671 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC(C(=O)NCCN(C)C)CC1 195519250 LYGWSJNZANQVLB-ZDUSSCGKSA-N 308.426 -0.486 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC(CC)(CC)C(N)=O)C1=O 264161434 ILQNOBCZBYFTKS-UHFFFAOYSA-N 324.337 -0.877 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H](O)[C@@H](C)CC)C1=O 268655490 XBUZZVRPNDVVER-VHSXEESVSA-N 311.338 -0.514 30 20 DBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCC(N)=O 268820430 GYHNFCMSIOCKDC-VIFPVBQESA-N 324.362 -0.783 30 20 DBED C=CCS(=O)(=O)CCNC(=O)NCC(=O)NCC1CC1 272786819 AMWCEZZBPOFZSV-UHFFFAOYSA-N 303.384 -0.587 30 20 DBED C=C(C)CNC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 275057746 VIFYGSLHRMMXPZ-UHFFFAOYSA-N 305.338 -0.484 30 20 DBED C=CCNC(=O)CNS(=O)(=O)c1cnc(NC(C)=O)s1 287887945 RFSHGHVMGMIYSR-UHFFFAOYSA-N 318.380 -0.318 30 20 DBED C=CCNC(=O)CNC(=O)N1C[C@H](C)S(=O)(=O)[C@@H](C)C1 292412067 NLXTUNMBCRSSBG-UWVGGRQHSA-N 303.384 -0.494 30 20 DBED COCCN1CN(/C(O)=N/C[C@@H]2CC[C@@H](C(=N)O)O2)CC1=O 328741324 NLTXXGWOFJKRLU-UWVGGRQHSA-N 314.342 -0.269 30 20 DBED C[C@@H]1CN(C2CC2)C[C@@H]1N/C(O)=N/CC(=O)N1CCOCC1 329240195 QUUNZSZEADBREF-YPMHNXCESA-N 310.398 -0.169 30 20 DBED Cc1cnn(C[C@H]2CN(/C(O)=N/Cc3nnn(C)n3)CCO2)c1 330225389 OCRFNOKYJIYTSB-LLVKDONJSA-N 320.357 -0.470 30 20 DBED C[C@@H]1CN(C(=O)Cn2cnc(C#N)n2)C[C@]2(CCCOC2)O1 333260825 MAXFBFOQQZTQAF-RISCZKNCSA-N 305.338 -0.054 30 20 DBED CC(C)[C@@H](O)C1(CNS(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 336883868 HJBXQWAPSUQMMI-NWDGAFQWSA-N 317.411 -0.158 30 20 DBED CC(C)N1C[C@H](NS(=O)(=O)N(C)C[C@@H](C)C#N)CC1=O 337039691 AANXWYBPQWCFNH-WDEREUQCSA-N 302.400 -0.078 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1CC(O)(CC#N)C1 337181437 MOJIXQUONYFIGQ-UHFFFAOYSA-N 302.356 -0.946 30 20 DBED C=CCOC[C@H]1NC(=O)N(c2ccn(CC(=O)N(C)C)n2)C1=O 348752922 XDKXHLABTMVLGY-SNVBAGLBSA-N 321.337 -0.401 30 20 DBED CCCNC(=O)CN(C)C(=O)Cn1c(N)nc(C#N)c1C#N 355856780 CVYJHCZQBBWNKX-UHFFFAOYSA-N 303.326 -0.807 30 20 DBED N#CCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC(N)=O 357367161 DBYFLIAMNVBBJY-LBPRGKRZSA-N 302.334 -0.381 30 20 DBED CC(C)OCCS(=O)(=O)NCC(=O)NCC(C)(C)C#N 359644902 FUYWUCFEVPPDIM-UHFFFAOYSA-N 305.400 -0.003 30 20 DBED C=CCNC(=O)NC(=O)CN1CCN(C)C[C@H](C(=O)OC)C1 411912829 VUFLFCFJJVPVOG-NSHDSACASA-N 312.370 -0.965 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)OC 416093849 MRHSPIBURKOXEM-WOPDTQHZSA-N 310.350 -0.142 30 20 DBED N#CCC1(CNC(=O)N2CCS(=O)(=O)[C@@H](C(=O)O)C2)CC1 424447362 HWADZBACHRTCBY-SECBINFHSA-N 315.351 -0.427 30 20 DBED CCS(=O)(=O)N1CC(CNS(=O)(=O)CCCC#N)C1 438900481 FUOOMYOFFZNKEN-UHFFFAOYSA-N 309.413 -0.509 30 20 DBED CN(C(=O)C(=O)Nc1ccc(C#N)cc1F)[C@H]1CCNC1=O 442269887 ZCUNUZTZYUWTND-NSHDSACASA-N 304.281 -0.017 30 20 DBED C#CCN(C)CCCNC(=O)NCCCNS(=O)(=O)CC 491429295 TYKWNVSLLQPBKI-UHFFFAOYSA-N 318.443 -0.430 30 20 DBED C#C[C@@H](C)N(C)C(=O)CCc1nc2c(O)nc(=O)n(C)c2[nH]1 491699723 CMUAAAHRTVZAPT-MRVPVSSYSA-N 303.322 -0.225 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CCC(=O)C2)CC1 491766307 GUGSNYRSJXEQIH-CYBMUJFWSA-N 305.378 -0.361 30 20 DBED COCCOc1ncccc1CNC(=O)Cn1cnc(C#N)n1 495061496 CSLIELBNJUQJSH-UHFFFAOYSA-N 316.321 -0.114 30 20 DBED NC(=O)c1ccc(SCC(=O)NCC#CCO)c([N+](=O)[O-])c1 559251051 UNWPHNQQFXCSIK-UHFFFAOYSA-N 323.330 -0.102 30 20 DBED CNS(=O)(=O)NC1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 577759364 CQLXOLLCYVOPGI-UHFFFAOYSA-N 311.367 -0.455 30 20 DBED C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H]1CS(=O)(=O)CCO1 578351935 MULBXRHNJKHWMI-TUAOUCFPSA-N 318.395 -0.310 30 20 DBED CN1CCN(C(=O)C(=O)N(C)Cc2ccc(C#N)cc2)CC1=O 590977142 WDGLLRKFGINLOM-UHFFFAOYSA-N 314.345 -0.183 30 20 DBED COC(=O)[C@H]1C[C@@H](O)CN(C(=O)Nc2ccn(CCC#N)n2)C1 592229950 SPOVJAAOPMIXRU-WDEREUQCSA-N 321.337 0.184 30 20 DBED N#CCN1CCC(CNC(=O)C2=NN3CCCN=C3N2)CC1 597293821 OSNYUBFXYDXXMB-UHFFFAOYSA-N 303.370 -0.683 30 20 DBED CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1cc(O)cc(C#N)c1 598032310 ZTKNGRIODMTQEO-RYUDHWBXSA-N 310.331 -0.194 30 20 DBED COC(=O)c1cc(C(=O)N2CCN(CCC#N)CC2)n(C)n1 602203845 YXQRUWRIFXIBHC-UHFFFAOYSA-N 305.338 -0.122 30 20 DBED CO[C@H](CNC(=O)C(=O)N1CCN(CCC#N)CC1)C(C)C 602257873 DMBUDIQQYSHDMN-CYBMUJFWSA-N 310.398 -0.169 30 20 DBED N#Cc1ccc(S(=O)(=O)N2CC3(C2)CS(=O)(=O)C3)cc1 603367456 CYYZXGKMIARGGL-UHFFFAOYSA-N 312.372 -0.023 30 20 DBED CCC[C@H](C#N)NC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C 608815710 DQJOOWIGJVEXTP-SECBINFHSA-N 317.349 -0.002 30 20 DBED C=C[C@](C)(O)C(=O)N1CCN(Cc2nc(COC)no2)CC1 613773935 JQKYSIMGRDRJLW-AWEZNQCLSA-N 310.354 -0.203 30 20 DBED Cn1c(=O)c2nc(CN3CC[C@](F)(C#N)C3)[nH]c2n(C)c1=O 615644901 HMJUWMLVBZDSEQ-ZDUSSCGKSA-N 306.301 -0.602 30 20 DBED C=CCn1cc(CNC(=O)C(=O)NC[C@H](C(=O)O)C(C)C)nn1 655997238 CZJFEQAGJSEWBX-NSHDSACASA-N 323.353 -0.447 30 20 DBED C#CCCCS(=O)(=O)N1CCCC[C@H]1CS(N)(=O)=O 710862857 UCOUZUGMKZFBIT-NSHDSACASA-N 308.425 -0.127 30 20 DBED C#CCN1CCN(C(=O)c2cc(S(=O)(=O)N(C)C)c[nH]2)CC1 733161220 MVLCKUWPYYZKCB-UHFFFAOYSA-N 324.406 -0.344 30 20 DBED C#CCOCCNC(=O)N1CCN(S(=O)(=O)CC)CC1 753379669 SQIFWHQJATXZSV-UHFFFAOYSA-N 303.384 -0.687 30 20 DBED C#CCSCCNS(=O)(=O)CCNS(=O)(=O)CC 756179006 OOPMMFICURZPNJ-UHFFFAOYSA-N 314.454 -0.789 30 20 DBED Cc1ncc(CO)c(/C=N\CC2CN(S(C)(=O)=O)C2)c1O 777402771 OGSHUNFXSJYSBX-RZNTYIFUSA-N 313.379 -0.102 30 20 DBED C#CCCN1CCC(NC(=O)[C@@H](NC(=O)C2CC2)[C@@H](C)O)CC1 779522198 YHJAOMXWRNKGGY-DOMZBBRYSA-N 321.421 -0.134 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@H]1CN(CC)CCO1 805475910 FJWZZVLFVSPPMK-WDEREUQCSA-N 313.354 -0.349 30 20 DBED COC(=O)c1cc(C=NN=c2nc3[nH][nH]cc-3c(O)n2)on1 814843043 KEZMNWSDHZLJEC-UHFFFAOYSA-N 303.238 -0.347 30 20 DBED C#Cc1cccc(CNC(=O)C(=O)N2CC(=O)N(C)C[C@@H]2C)c1 817846910 ZGQOSKZTPHLQPG-LBPRGKRZSA-N 313.357 -0.027 30 20 DBED C[C@](C#N)(CC(=O)O)C(=O)N1CCN(CCn2cncn2)CC1 819821155 CVKSZMBKWKJLQM-CQSZACIVSA-N 320.353 -0.573 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N[C@@H](C)Cn1cccn1 826974031 ZMKNJZOIBNQUQV-ZDUSSCGKSA-N 306.366 -0.114 30 20 DBED CC(C)[C@H](C(=O)N[C@@H]1CNC[C@@H]1C#N)N1CCCS1(=O)=O 834500464 TZBZSXYTAKVKPO-QJPTWQEYSA-N 314.411 -0.726 30 20 DBED C=CCn1cc(C(=O)OCCN(C)S(=O)(=O)N(C)C)nn1 842713961 LDGMGXJRLQMHJN-UHFFFAOYSA-N 317.371 -0.641 30 20 DBED C#CCOCCNC(=O)[C@H](CO)NC(=O)c1cccc(F)n1 845942850 YNPVIZDDBIFBDR-NSHDSACASA-N 309.297 -0.923 30 20 DBED C=CCCONC(=O)CCc1nc2c(O)nc(=O)n(C)c2[nH]1 856030804 RPIHPLHDQNRTPN-UHFFFAOYSA-N 307.310 -0.081 30 20 DBED COC(=O)c1cnn(CC(=O)OCC(=O)NC2(C#N)CCC2)c1 859973320 SWABHFKCSWDLLJ-UHFFFAOYSA-N 320.305 -0.225 30 20 DBED CN1CCN(S(=O)(=O)c2cccc(F)c2C#N)[C@@H](CO)C1 867538173 GMFIPTQWZDYEGM-SNVBAGLBSA-N 313.354 -0.006 30 20 DBED C#CCNS(=O)(=O)N1CCN(c2cccc(C#N)n2)CC1 872633820 OHSXXYVSAGEWIS-UHFFFAOYSA-N 305.363 -0.457 30 20 DBED C=CCN1CC[C@@H](OC(=O)CN2CCCCS2(=O)=O)C1=O 884687161 KWPRUOQFKNVRTG-LLVKDONJSA-N 316.379 -0.258 30 20 DBED COC(=O)[C@@H]1CSCCN1S(=O)(=O)N(C)C[C@@H](C)C#N 885826429 ITHRCLYFKCWTLO-UWVGGRQHSA-N 321.424 -0.087 30 20 DBED C#CC1(O)CN(S(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)C1 908229775 ULJCFBWIMSZNEB-UHFFFAOYSA-N 320.370 -0.036 30 20 DBED CN(C)c1ccc(C(N)=NOCc2nc(N)nc(N)n2)cc1 918185206 CRBUQXNRBIWVCS-UHFFFAOYSA-N 302.342 -0.061 30 20 DBED COc1ncc(C(=O)N[C@H]2CCN(C(=O)[C@@H](C)C#N)C2)cn1 938631738 RPLHIVPCNIWVNJ-ONGXEEELSA-N 303.322 -0.024 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C2CN([C@@H](C)C(=O)N(C)C)C2)CC1 941348393 MWGGJQASDZTCMJ-STQMWFEESA-N 321.425 -0.549 30 20 DBED C[C@H](C#N)C(=O)N1CCCN(C(=O)C[C@@H]2CC(=O)NC2=O)CC1 941584059 WEMGVOPHFQZNEK-MNOVXSKESA-N 320.349 -0.740 30 20 DBED C#CCCN1CC[C@@H](NC(=O)Cn2ncn(C)c2=O)[C@@H](C)C1 942199951 IHHSZPARGFKJEX-QWHCGFSZSA-N 305.382 -0.568 30 20 DBED C[C@@H](C#N)C(=O)N1CCCC[C@H](NC(=O)c2nnn(C)n2)C1 943442354 HPXVMFDRTYRKMA-UWVGGRQHSA-N 305.342 -0.519 30 20 DBED CC#CCN1CC[C@H](NC(=O)CN2CCC(=O)NC2=O)[C@H](C)C1 944032405 GWFZNAKZDIIXLO-OLZOCXBDSA-N 320.393 -0.222 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@H](CNC(=O)c2ncccn2)C1 944739339 DEWIKNCGEOZDPN-WDEREUQCSA-N 303.322 -0.407 30 20 DBED C#CCCN1C[C@H](O)[C@H](CNC(=O)c2cnc(N(C)C)cn2)C1 958070198 YBIZAQZXZSNOTH-OCCSQVGLSA-N 317.393 -0.412 30 20 DBED Cn1cc(C(=O)NC[C@H]2CN(CC#N)C[C@@H]2O)c(C2CC2)n1 958100605 CVVUMQWVJQNQNM-AAEUAGOBSA-N 303.366 -0.156 30 20 DBED CC#CCN1C[C@@H](O)[C@H](CNC(=O)c2cnc3n2CCOC3)C1 958153410 UDXIXJHPUPRJKR-TZMCWYRMSA-N 318.377 -0.541 30 20 DBED O=C(N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O)c1cc[n+]([O-])cc1 961355810 IYFZFOXPAIVZLU-KGLIPLIRSA-N 315.329 -0.965 30 20 DBED Cc1nn(C)cc1C(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 961933217 RURRNKDTIIMCFA-KGLIPLIRSA-N 316.361 -0.557 30 20 DBED N#CCN1C[C@H]2[C@H](NC(=O)c3cn(C4CCOCC4)nn3)[C@H]2C1 962233534 UABUHAODIUKPRP-IMRBUKKESA-N 316.365 -0.187 30 20 DBED C=CCN1C[C@H]2C(NC(=O)Cn3nc4n(c3=O)CCCC4)[C@@H]2C1 962240211 MMBHULSARJIFBE-VXGBXAGGSA-N 317.393 -0.387 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2[C@@H]3CN([C@@H]4CCN(C)C4=O)C[C@@H]32)nc1 962343902 QYGCSINUOBUUNP-CLWVCHIJSA-N 324.384 -0.046 30 20 DBED CCn1nccc1C(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1O 962456991 BGCRRUFMJSYMMH-UMNHJUIQSA-N 305.338 -0.636 30 20 DBED C=CCn1cc(C(=O)N(CC)C2CN(C(=O)COC)C2)nn1 967975334 WHMVCXLKVYBFDQ-UHFFFAOYSA-N 307.354 -0.217 30 20 DBED C=CCCN1CC[C@@H](C)[C@H](NC(=O)CN2C(=O)CNC2=O)C1 968628427 YIHFDGBOQBXYDB-VXGBXAGGSA-N 308.382 -0.059 30 20 DBED C#CCN1C[C@H](NC(=O)[C@@H](C)N2C(=O)CCC2=O)C(C)(C)C1 974637635 ZWMNGHYFYBMWPP-NEPJUHHUSA-N 305.378 -0.016 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)Cc3ccn(C)n3)[C@H]2C1 976494622 FATXBSJAFPESNR-WUWHUORYSA-N 301.350 -0.305 30 20 DBED C#CCN1C[C@@H](NC(=O)c2cn(C)c(=O)nc2O)C(C)(C)C1 977592233 UAVRCODQFXTQKQ-LLVKDONJSA-N 304.350 -0.441 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H](N(C)C(=O)Cn2cnnn2)C1 984589406 UGQDFIUQFHGNBZ-GHMZBOCLSA-N 305.342 -0.718 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)Cn3nccn3)C[C@@H]2C1 986166614 VACJHJCIAXASCB-UPJWGTAASA-N 316.365 -0.255 30 20 DBED C[C@H]1[C@H](NCC#N)CCN1C(=O)CCc1nnc(O)nc1O 986461125 JBYMQQOTASTWBC-DTWKUNHWSA-N 306.326 -0.682 30 20 DBED C#CCN[C@H]1C[C@@H](C)N(C(=O)CN2C(=O)CC(C)(C)C2=O)C1 988843749 LBGQAQOOCQZJSC-NEPJUHHUSA-N 305.378 -0.016 30 20 DBED C[C@@H]1C[C@H](NCC#N)CN1C(=O)CN1CCCS1(=O)=O 988929424 SRSWDVAWKHEWJM-MNOVXSKESA-N 300.384 -0.876 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC(NC(=O)C[C@@H]2CCCO2)C1 990316374 ATSWTPGLMNBVMY-GJZGRUSLSA-N 319.405 -0.020 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2CCCN2C)C1 990506577 CSSGAZDSWVREMC-CABCVRRESA-N 318.421 -0.495 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CCN(C(=O)C3CC3)C[C@H]2O)c[nH]1 991401878 RNXCYZNNIAVWLP-CHWSQXEVSA-N 302.334 -0.012 30 20 DBED CC(C)N1C[C@H](C(=O)NC2CN(C(=O)C#CC3CC3)C2)CC1=O 993780178 IPRUAZHNRSINGO-CYBMUJFWSA-N 317.389 -0.016 30 20 DBED C#CCNC1CCN(C(=O)[C@H]2CC(=O)N(CCOC)C2)CC1 996658517 XBMLDGBFYWGMGN-ZDUSSCGKSA-N 307.394 -0.305 30 20 DBED O=C1CC[C@H](N[C@H]2CCCN(C(=O)C#CC3CC3)C2)C(=O)N1 999130581 WPGABSBXOHLVKK-STQMWFEESA-N 303.362 -0.214 30 20 DBED C#Cc1cncc(C(=O)NC2CN(C(=O)[C@@H]3CCNC3=O)C2)c1 999319901 NYSDFRBECIZZGT-CYBMUJFWSA-N 312.329 -0.860 30 20 DBED N#Cc1ccc(C(=O)N2CCN(C(=O)Cn3cncn3)CC2)[nH]1 1011019994 PWPXCKDGCMVPSP-UHFFFAOYSA-N 313.321 -0.538 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2C(NC(=O)c3cc(=O)n(C)cn3)[C@H]2C1 1013314588 GIBHKXDEHYVPOZ-UTLUCORTSA-N 315.333 -0.873 30 20 DBED C=CCN1CC[C@H](NC(=O)Cn2nc3ccccn3c2=O)C1 1015451730 IOSMJDJUNQRYOQ-LBPRGKRZSA-N 301.350 -0.128 30 20 DBED C=CCN1CC[C@@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 1015457421 SNJWWBRDPDOPKK-SNVBAGLBSA-N 302.342 -0.316 30 20 DBED C#CCN1CCC2(CC1)C[C@@H]2NC(=O)CN1CCN(C)C(=O)C1 1016696854 AEDOKESMWQJKNZ-AWEZNQCLSA-N 318.421 -0.636 30 20 DBED C=CCCN1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CC(=O)NC(=O)N1 1018007958 VHJDAGFPFCQHBP-TUAOUCFPSA-N 306.366 -0.164 30 20 DBED C=CCCN1CC[C@@H](CNC(=O)c2cn(C)c(=O)n(C)c2=O)C1 1028840912 OULCTGFOOBYNAP-LBPRGKRZSA-N 320.393 -0.288 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)C34CCN(CC3)C4)C2)C1=O 1031266492 UASUXWLXXPLUIN-AWEZNQCLSA-N 318.421 -0.331 30 20 DBED C=CCOc1cccnc1C(=O)NCC1CN(CC(N)=O)C1 1032115108 RTLSMUVGOQPEFM-UHFFFAOYSA-N 304.350 -0.207 30 20 DBED C#CCN1CC[C@@H](N(C)C(=O)CN2CCCCS2(=O)=O)C1 1033274308 YKUDUPCAZOMNIP-CYBMUJFWSA-N 313.423 -0.422 30 20 DBED C#CCCN1CC[C@H](N(C)C(=O)c2cnc(O)n(C)c2=O)C1 1033324070 NRHHXEKWMYLOMI-NSHDSACASA-N 304.350 -0.345 30 20 DBED CC#CCN1CCCC[C@H](NC(=O)CN2CCN(C)C(=O)C2)C1 1034282755 PFQGNFQTVXFZBP-HNNXBMFYSA-N 320.437 -0.246 30 20 DBED C[C@H](C(N)=O)N1CCO[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 1035325078 AYQZEBCPFNZURB-KOLCDFICSA-N 305.338 -0.809 30 20 DBED C=C(C)CN1CCO[C@@H](CNC(=O)c2cc(=O)n(C)cn2)C1 1035401029 UTUJOONDAMGRCK-LBPRGKRZSA-N 306.366 -0.213 30 20 DBED N#CCN1CCO[C@H](CNC(=O)c2cc3ncccn3n2)C1 1035552122 MIJDVKULTPBQOQ-LLVKDONJSA-N 300.322 -0.317 30 20 DBED CC#CCN1CCO[C@@H](CNC(=O)c2ccc(C(N)=O)nc2)C1 1035620118 DRGRPTKSZQUAGE-ZDUSSCGKSA-N 316.361 -0.366 30 20 DBED N#CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1ccc(-n2cnnn2)cc1 1037705142 RGRLZQUYICHDOA-KWCYVHTRSA-N 309.333 -0.012 30 20 DBED C#CCN[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)C[C@H]1CC 1037985528 LNUZYBSCFGRHLT-NEPJUHHUSA-N 306.366 -0.612 30 20 DBED CO[C@@H](C)CC(=O)N1CC[C@](O)(CNC(=O)C#CC2CC2)C1 1039678428 WBPLNEPFORJNDS-LRDDRELGSA-N 308.378 -0.096 30 20 DBED Cn1c(O)ncc(C(=O)N2C[C@@H]3CCC[C@H](C2)N3CC#N)c1=O 1039811237 PZOWTPLWSYFCBX-PHIMTYICSA-N 317.349 -0.312 30 20 DBED C=CCCC(=O)N1CC[C@@](O)(CNC(=O)[C@H]2CC(=O)N(C)C2)C1 1040089105 CGPBKVYXKOEHEQ-BLLLJJGKSA-N 323.393 -0.490 30 20 DBED Cc1cc(C(=O)N2CC[C@](O)(CNC(=O)[C@@H](C)C#N)C2)nn1C 1040762768 LEADXQSYCQEWAK-BONVTDFDSA-N 319.365 -0.419 30 20 DBED C#Cc1ccccc1CC(=O)N1CC(O)(CNC(=O)COC)C1 1041153872 BAXRLBKWAZXLPW-UHFFFAOYSA-N 316.357 -0.454 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)CC[C@@H]2CCCO2)C1 1041591865 VXIZEAVQVSJYAM-RYUDHWBXSA-N 309.366 -0.205 30 20 DBED CC#CCN1CC[C@]2(CCN(C(=O)C[C@@H]3CC(=O)NC3=O)C2)C1 1041862360 YTQKYVWHEVHYNJ-GUYCJALGSA-N 317.389 -0.013 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)[C@H](C)n2cncn2)C1 1042644917 VGDNQKXLRYGLHF-LBPRGKRZSA-N 319.365 -0.812 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(O)CN(C(=O)c2ccn(C)c2)C1 1042805867 AFFIWLXQCYHJFA-HNNXBMFYSA-N 321.377 -0.345 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)c2n[nH]cc2C)C1 1042950532 CVXIOXUJARSCPT-UHFFFAOYSA-N 320.349 -0.939 30 20 DBED O=C(C#CC1CC1)NCC1(O)CN(C(=O)C2=CCOCC2)C1 1042958264 IBOCVJKQDSWMCV-UHFFFAOYSA-N 304.346 -0.564 30 20 DBED CN1CC[C@@H](C(=O)N2CC(O)(CNC(=O)C#CC(C)(C)C)C2)C1 1042969936 CVQOENYVUPARFN-CYBMUJFWSA-N 321.421 -0.323 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)c2cncs2)C1 1043033288 WPJRRNVNJCGPHW-UHFFFAOYSA-N 323.374 -0.514 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)c2cc(C)no2)C1 1043035882 GAWAHSNHYIDMEI-LLVKDONJSA-N 321.333 -0.676 30 20 DBED C=CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)C(C)(F)F)C1 1043568012 IMYSCFVMTCDBMH-SECBINFHSA-N 306.309 -0.078 30 20 DBED C=CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)[C@H](C)COC)C1 1043570124 FZUCESJJOOCXDU-VXGBXAGGSA-N 314.382 -0.451 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)c2ccn(C)c(=O)c2)C1 1043789246 IZNKCZJNRRNGCJ-UHFFFAOYSA-N 319.361 -0.345 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)[C@]2(C)CCOC2)C1 1045302159 GLKFAWLBQJESFA-SWLSCSKDSA-N 324.377 -0.859 30 20 DBED N#CCN1CC[C@H](N2CCN(C(=O)c3cncnc3O)CC2)C1 1046038777 IRLNAHFDLGCZQD-LBPRGKRZSA-N 316.365 -0.462 30 20 DBED N#CCN1CC[C@H](N2CCN(C(=O)c3ncccn3)CC2)C1 1046072875 PMXGMVBDNNIKDZ-ZDUSSCGKSA-N 300.366 -0.168 30 20 DBED C=C1CC(C)(C(=O)NCC2(O)CN(C(=O)Cc3cc[nH]n3)C2)C1 1046307704 WYVOETIRYWUWTE-UHFFFAOYSA-N 318.377 -0.002 30 20 DBED C=C[C@H](C)[C@@H](C)C(=O)N1CC(O)(CNC(=O)Cc2nc[nH]n2)C1 1046910315 XMCYAVOGOXYLGG-WDEREUQCSA-N 321.381 -0.505 30 20 DBED C=CCCN1C[C@H](O)[C@@H](N(C)C(=O)C2CS(=O)(=O)C2)C1 1047395103 XECXDIFTQHGDFN-RYUDHWBXSA-N 302.396 -0.889 30 20 DBED C=CCN1CC[C@H](N2C[C@H](O)[C@@H](N(C)C(=O)[C@H]3C[C@@H]3C)C2)C1=O 1047491891 UTWDVQFYHCDYAK-YTFOTSKYSA-N 321.421 -0.067 30 20 DBED C=C(C)CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCN(C)C2=O)C1 1047494026 GDUXUSKCXDRJPC-IHRRRGAJSA-N 309.410 -0.066 30 20 DBED C#CCCCCC(=O)N(C)[C@H]1CN(C(=O)CNC(C)=O)C[C@@H]1O 1048705306 WVLOULDPQVXMCR-KBPBESRZSA-N 323.393 -0.654 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2ncn(C)n2)C1 1048785832 RMWQNHUHUIGKQD-RYUDHWBXSA-N 319.365 -0.738 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)c2ccsn2)C[C@@H]1O 1049401261 CNFDVRANHZTYFM-LSJOCFKGSA-N 308.363 -0.054 30 20 DBED C[C@H](NC(=O)C#CC1CC1)[C@@H]1CCN(C(=O)Cn2cnnn2)C1 1049966753 FIRIYICYKRQCOK-WCQYABFASA-N 316.365 -0.560 30 20 DBED C=CCOCC(=O)N1CC[C@H]([C@H](C)NC(=O)c2cnnn2C)C1 1050297646 OFDDCODCUYQTON-RYUDHWBXSA-N 321.381 -0.016 30 20 DBED C#CCN1CC2(C1)CN(C(=O)CCc1ncccn1)CCO2 1053476888 KJKAFUFDGOMSQM-UHFFFAOYSA-N 300.362 -0.044 30 20 DBED C#CCN1CC2(CC[C@H](CNC(=O)[C@H]3CCN(C)C(=O)C3)O2)C1 1053619875 YSAUAQJUYPMVDG-UONOGXRCSA-N 319.405 -0.162 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)c3nccnc3N)CO2)C1 1053761005 RWEIOUXVNOETJU-LLVKDONJSA-N 301.350 -0.345 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)[C@H]3CCn4cncc4C3)CO2)C1 1053851031 IZTGCTNLLVPYNZ-QWHCGFSZSA-N 315.377 -0.071 30 20 DBED C=CCN1CC2(C[C@@H](NC(=O)c3cc(C(N)=O)c[nH]3)CO2)C1 1053968455 PAUXUEWILSVWCU-LLVKDONJSA-N 304.350 -0.127 30 20 DBED C=CCOCC(=O)N(CCNC(=O)C(N)=O)Cc1ccccc1 1055057197 PCHBUUZMGRGHON-UHFFFAOYSA-N 319.361 -0.181 30 20 DBED N#Cc1cncc(N2C[C@H]3[C@H](NC(=O)Cc4cncnc4)[C@H]3C2)n1 1056189685 CAPKLOPSIGKEHQ-VIKVFOODSA-N 321.344 -0.068 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)[C@H](C)NC(C)=O 1056884798 AEOUZHXLISYHHI-LBPRGKRZSA-N 311.382 -0.748 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)COCC1CC1 1057193130 AKIWVUAFYODFIL-UHFFFAOYSA-N 314.382 -0.447 30 20 DBED C=C[C@](C)(O)CC(=O)N(CCO)CCNC(=O)c1ccccn1 1057450274 ONMYARVLHNMOFB-INIZCTEOSA-N 321.377 -0.041 30 20 DBED C[C@@H]1CN(C)C[C@@H]1C(=O)NCCN(CCO)C(=O)C#CC1CC1 1057535579 BXJWZYPYUJCKHR-HIFRSBDPSA-N 321.421 -0.465 30 20 DBED Cc1nn[nH]c1C(=O)N(CCO)CCNC(=O)C#CC(C)C 1058275254 XMUDGJXIXCEEKW-UHFFFAOYSA-N 307.354 -0.677 30 20 DBED CN1CCO[C@H](C(=O)N[C@H]2CCN(c3ncccc3C#N)C2)C1 1058316632 DAWQCWZDIKXZNI-KBPBESRZSA-N 315.377 -0.021 30 20 DBED C=C[C@H](C)[C@@H](C)C(=O)N(CCO)CCNC(=O)c1cnnn1C 1058435400 JTGZBRUOPLJWSC-NWDGAFQWSA-N 323.397 -0.176 30 20 DBED N#Cc1cnc(N2CC[C@@H](NC(=O)[C@H]3CCNC3=O)C2)c(F)c1 1058508241 XVMSUHVISSMUCP-MNOVXSKESA-N 317.324 -0.077 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)[C@]1(C)CCOC1 1058555400 CMTOOVFFMNGDJS-OAHLLOKOSA-N 314.382 -0.447 30 20 DBED Cc1ncc(C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N)c(C)n1 1058654832 JJRQISOICUOPRC-JTQLQIEISA-N 319.365 -0.196 30 20 DBED CCn1cc(CC(=O)NCCN(CCO)C(=O)[C@H](C)C#N)cn1 1058657076 PSXPKQQUAUPJGI-GFCCVEGCSA-N 321.381 -0.458 30 20 DBED Cc1cnn(C)c1C(=O)NCCN(CCO)C(=O)[C@H](C)C#N 1058662911 CGYZXKGPFBKEEU-SNVBAGLBSA-N 307.354 -0.561 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2CC[C@H](CNC(=O)C(N)=O)CC2)[nH]1 1060712098 WRWIKWKOXPWHIF-MGCOHNPYSA-N 317.349 -0.224 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)C(C)(C)C(N)=O 1061659582 ZNHAAAXINLSQLV-NXEZZACHSA-N 310.354 -0.999 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)c1nccnc1N 1061846525 OSEAGCWEXLBKLT-ZJUUUORDSA-N 318.337 -0.824 30 20 DBED CCS(=O)(=O)CC(=O)NCC1(NC(=O)[C@@H](C)C#N)CCC1 1063343815 PSYVPEQCKBPZEX-JTQLQIEISA-N 315.395 -0.264 30 20 DBED C=CCCOCC(=O)NCC1(NC(=O)[C@H]2C[C@H]2C(N)=O)CCC1 1063423641 AVPPQVZMHGGIOD-NEPJUHHUSA-N 323.393 -0.144 30 20 DBED N#Cc1nccc(N2CCO[C@H](CNC(=O)c3ccon3)C2)n1 1063616095 LKYRRILBSXXFEZ-SNVBAGLBSA-N 314.305 -0.029 30 20 DBED C=C[C@](C)(O)CC(=O)NC1(CNC(=O)[C@@H]2CCNC2=O)CCC1 1063908431 XCAJXWPZHQANCL-ABAIWWIYSA-N 323.393 -0.395 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)c2c[nH]c(=O)cn2)CCC1 1064254436 JIGKBTYZUZLTTM-VIFPVBQESA-N 303.322 -0.302 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)CCS(C)(=O)=O)CCC1 1064309753 AVFRVQXFCNWVIW-SNVBAGLBSA-N 315.395 -0.264 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)[C@H]2CCC(=O)NC2)CCC1 1064310679 ONLYLFUJSFGDDF-MNOVXSKESA-N 306.366 -0.173 30 20 DBED C=CCOCC(=O)N1CCO[C@H](CNC(=O)[C@@H]2CCCO2)C1 1064977566 WBSBASSUJRPGCW-OLZOCXBDSA-N 312.366 -0.288 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)Cc2cc[nH]n2)CCO1 1065005166 PCTQIPAUNCUHCR-CYBMUJFWSA-N 322.365 -0.502 30 20 DBED Cc1ccc(C(=O)N2CCO[C@H](CNC(=O)[C@H](C)C#N)C2)nn1 1065138914 ZHJRNJNCZQAPFM-ZYHUDNBSSA-N 317.349 -0.098 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CN(C(=O)c2ncccn2)CCO1 1065511601 GPLNVYRRRJGTJZ-GHMZBOCLSA-N 303.322 -0.407 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC[C@@H](NC(=O)c2cnn[nH]2)CC1 1066301017 NFSRZKYXMAXQRH-VXGBXAGGSA-N 319.365 -0.046 30 20 DBED C[C@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1N=c1cc[nH]cc1C#N 1067049962 VKKLHGNKEKSZOV-GXFFZTMASA-N 322.390 -0.321 30 20 DBED C[C@H]1CN(C(=O)Cn2ncnn2)C[C@H]1Nc1ccc(C#N)cn1 1067148961 KKJWCVMRYXIQIW-CMPLNLGQSA-N 312.337 -0.101 30 20 DBED N#Cc1nccc(N2C[C@@H](O)[C@H](CNC(=O)c3cn[nH]c3)C2)n1 1067652138 VWQKMTLQOFFZMW-GHMZBOCLSA-N 313.321 -0.702 30 20 DBED C[C@H]1C[C@H](CNc2cncc(C#N)n2)CN1C(=O)CC(N)=O 1068302719 JZTUEXOROQTPFK-VHSXEESVSA-N 302.338 -0.127 30 20 DBED C=CCCC(=O)N[C@@H]1COC2(C1)CN(C(=O)C1(C(N)=O)CC1)C2 1068756809 HVNNIZIEGKJQAX-NSHDSACASA-N 321.377 -0.296 30 20 DBED Cc1cc(C#N)nc(N[C@@H]2C[C@@H](C)N(C(=O)CC(N)=O)C2)n1 1069049079 JKYTYOGTXRCHNA-MWLCHTKSSA-N 302.338 -0.067 30 20 DBED CN(C(=O)[C@H]1COC(=O)N1)C1CC(N=c2cc[nH]cc2C#N)C1 1069736082 WDIMOLCXZLWXRI-GCZXYKMCSA-N 315.333 -0.115 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)c2ncn(C)n2)CCOCC1 1070232493 KQLXEIFGMXKFEU-JTQLQIEISA-N 320.353 -0.630 30 20 DBED N#CCN[C@@H]1CN(C(=O)c2ncccc2F)C[C@@H]1n1ccnn1 1070302538 XRXVYXTYHRMOPA-NEPJUHHUSA-N 315.312 -0.009 30 20 DBED N#CCN1CCOC[C@H]1c1n[nH]c(CNC(=O)c2ccc[nH]2)n1 1070580518 SFBTWVPVPMRGOI-NSHDSACASA-N 315.337 -0.040 30 20 DBED N#CCN1C[C@H]2C[C@@H]3CN(C(=O)[C@@H]4COCCO4)C[C@@]3(C1)O2 1070766982 NVAXCYGBIWHJJR-GUIRCDHDSA-N 307.350 -0.773 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)[C@@H]2CN(C)C[C@@H]2C)CC1 1071000369 ZZGFAALDUAHDTO-LSDHHAIUSA-N 320.437 -0.532 30 20 DBED C=CCN1CC[C@@]2(C1)CN(C(=O)Cn1cnnc1O)C[C@H](C)O2 1071149440 MIGDHTDBWVAYDF-SWLSCSKDSA-N 321.381 -0.139 30 20 DBED C=CCOCC(=O)N1C[C@H](C)[C@H](NC(=O)c2nnn(C)c2C)C1 1071807891 BZHOMCOZRSRDCV-CMPLNLGQSA-N 321.381 -0.097 30 20 DBED C#CCN1CC[C@@H](N(Cc2cn(C)c(=O)n(C)c2=O)C(C)=O)C1 1072134694 XTCVECJVEFRNBK-CQSZACIVSA-N 318.377 -0.860 30 20 DBED C[C@H]1CN(C(=O)Cn2cncn2)C[C@H]1NC(=O)C#CC1CC1 1072773143 OWPPBLWJXDYDEV-WCQYABFASA-N 301.350 -0.345 30 20 DBED C=CCOCC(=O)N1CC[C@H](NC(=O)CNC(N)=O)C[C@@H]1C 1074819397 SLYIOTONBQMDCB-QWRGUYRKSA-N 312.370 -0.647 30 20 DBED C[C@H]1[C@@H](NCC#N)CCN1C(=O)c1cn([C@H]2CCOC2)nn1 1075025284 DJAQFKXPMYBBKA-SRVKXCTJSA-N 304.354 -0.044 30 20 DBED C#CCOCCC(=O)N[C@@H](C)CCNC(=O)[C@@H]1CCNC(=O)C1 1076140386 PTQIFNMGWACFOK-QWHCGFSZSA-N 323.393 -0.437 30 20 DBED C#CCO[C@@H](C)C(=O)NCC[C@H](C)NC(=O)CN(C)C(C)=O 1076509407 WSMPTLZDWZJEEL-RYUDHWBXSA-N 311.382 -0.486 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)c1nc(C)c[nH]1 1076707345 XHNWJBNWEWVBOB-JTQLQIEISA-N 319.365 -0.518 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCCS2(=O)=O)C1 1077121377 UUNGQCLULSCYIT-UPJWGTAASA-N 316.423 -0.309 30 20 DBED C=CCCCC(=O)NCC[C@H](C)NC(=O)CS(=O)(=O)NC 1078098237 FPWGNAYNUKKUAS-NSHDSACASA-N 319.427 -0.097 30 20 DBED CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)[C@H](C)NC(=O)COC)C1 1080420582 XFXVXZHVDUPKEL-MNOVXSKESA-N 324.381 -0.644 30 20 DBED C#CCOCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2ccc[nH]2)C1 1081252127 XIFNQEBBZVYKQQ-GXTWGEPZSA-N 319.361 -0.396 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)CCCOC)C[C@@H]1O 1081344907 WKHVGIDKSFQISB-STQMWFEESA-N 314.382 -0.449 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cncnc2)C1 1081424224 BSXQKUNKVKBWIG-KGLIPLIRSA-N 316.361 -0.171 30 20 DBED C#CCCCCCC(=O)NC[C@H]1CN(C(=O)CC(N)=O)C[C@@H]1O 1081645982 UYKBTHDUHCQYEA-STQMWFEESA-N 323.393 -0.619 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cccnn2)C1 1081686899 BPOKBBDNDDMBPJ-GXTWGEPZSA-N 316.361 -0.315 30 20 DBED C=CCOCC(=O)NC[C@@H]1CCCCN1C(=O)Cn1cnnn1 1081870008 HZODCGVTOUGRHS-LBPRGKRZSA-N 322.369 -0.627 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)Cc1cnn(CC)c1 1083243261 SGCBJQXYZMRZEU-LSDHHAIUSA-N 302.378 -0.010 30 20 DBED C#CCN1CC[C@@H](NC(=O)Cn2cccc(C)c2=O)[C@H](O)C1 1090266381 UTBKNNHPEYHBOM-ZIAGYGMSSA-N 303.362 -0.659 30 20 DBED C#CCCN1CC[C@H](NC(=O)Cc2cnn(C)c2C)[C@H](O)C1 1090311943 BELNFVCRAFMOCN-LSDHHAIUSA-N 304.394 -0.154 30 20 DBED C=CCN1CC[C@H](NC(=O)Cn2cc(C3CC3)nn2)[C@@H](O)C1 1090319854 SSPIPBMKUAPYOE-JSGCOSHPSA-N 305.382 -0.107 30 20 DBED C=CCCN1CC[C@H](NC(=O)Cn2nnnc2C(C)C)[C@@H](O)C1 1090635098 ZIVIMTLTQPGACI-STQMWFEESA-N 322.413 -0.076 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)Cn2nc(C)ccc2=O)[C@@H](O)C1 1090747591 KNXXGXZOCYVOBA-KBPBESRZSA-N 320.393 -0.321 30 20 DBED CNC(=O)c1cccc(C(=O)N[C@H]2CCN(CC#N)C[C@@H]2O)c1 1090823985 MWZHGBRMPCBJGW-KBPBESRZSA-N 316.361 -0.265 30 20 DBED C[C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1Nc1ccc(C#N)nn1 1090955191 HIEJQGPVOIOTRY-PSASIEDQSA-N 303.326 -0.725 30 20 DBED CCN(CC)CC(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@@H]1O 1091109454 XFPURIGURBRSOY-HIFRSBDPSA-N 317.393 -0.039 30 20 DBED CC(=O)NCC(=O)NC[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1C 1092316573 KLVSYOIAKIDIHS-ZYHUDNBSSA-N 316.365 -0.327 30 20 DBED Cc1nc(N2CCO[C@@](C)(CNC(=O)C(N)=O)C2)ccc1C#N 1092775358 WEOGITPDFVUUOO-HNNXBMFYSA-N 317.349 -0.542 30 20 DBED C#CCN1C[C@@H](C)[C@H](CNC(=O)c2cc(=O)n3[nH]cnc3n2)C1 1093131626 USECIBQCWCMBJN-GHMZBOCLSA-N 314.349 -0.652 30 20 DBED N#Cc1cnc(NCCNC(=O)C(=O)NCC(F)(F)F)cn1 1093810760 VXROFDXZPZTDAE-UHFFFAOYSA-N 316.243 -0.445 30 20 DBED CCc1nc(C#N)cc(NCCNC(=O)C[C@@H]2CCNC2=O)n1 1093921238 KIMKNCKIBADOID-JTQLQIEISA-N 316.365 -0.035 30 20 DBED Cc1ccc(C#N)c(NCCNC(=O)Cn2ncn(C)c2=O)n1 1093963251 CYQFOUYVNOWXNG-UHFFFAOYSA-N 315.337 -0.615 30 20 DBED CC(=O)N1CC(C(=O)NCCCNc2cncc(C#N)n2)C1 1094410321 SWVSQILKPRFAMQ-UHFFFAOYSA-N 302.338 -0.255 30 20 DBED CCNC(=O)CC(=O)N1CCCN(c2cnc(C#N)cn2)CC1 1095177388 PRLUMGROIGAKSD-UHFFFAOYSA-N 316.365 -0.087 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H](C)Nc1cc(C)nc(OC)n1 1097768628 OTSCNULRFHAEGR-LLVKDONJSA-N 319.365 -0.150 30 20 DBED C[C@@H](CNC(=O)[C@]1(C)CCC(=O)NC1)N=c1cc[nH]c(C#N)n1 1098228654 JGQRODHUBCLHJD-ZUZCIYMTSA-N 316.365 -0.397 30 20 DBED C[C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)Nc1ccc(C#N)nn1 1098264078 DSQAMOMKVAOYOV-INTQDDNPSA-N 318.337 -0.702 30 20 DBED C[C@@H](CCNC(=O)[C@@H]1CC(=O)N(C)C1)N=c1cc[nH]c(C#N)n1 1099748523 YHQDRGIPSGLDRI-WDEREUQCSA-N 316.365 -0.445 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCN(CC=C(C)C)C[C@H]1O 1099788541 GLZPJRNTTICEDG-ZIAGYGMSSA-N 307.394 -0.357 30 20 DBED Cc1cc(C)n(CCC(=O)N[C@@H]2CCN(CC#N)C[C@@H]2O)n1 1099939834 MSMYUZOISNBACA-KGLIPLIRSA-N 305.382 -0.035 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)C2CC3(CC3)C2)[C@H](O)C1 1099998497 IANDIEOTYVRMLA-ZIAGYGMSSA-N 319.405 -0.523 30 20 DBED CN(CCNC(=O)CN1CCOCC1)c1ccc(C#N)nc1 1100065903 XWOBWTAWBYVTDV-UHFFFAOYSA-N 303.366 -0.162 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)c2cscn2)C1 1100174277 LCVKQOBYVDMOBG-UHFFFAOYSA-N 306.391 -0.010 30 20 DBED N#CCNC(=O)CNC1CC(CNC(=O)c2c[nH]c(C#N)c2)C1 1100254915 RPKJMMXUDUCIHE-UHFFFAOYSA-N 314.349 -0.376 30 20 DBED Cc1cc(C#N)nc(N(C)CCNC(=O)[C@H]2CCNC2=O)n1 1100268464 ANVJDYBADOJJCF-NSHDSACASA-N 302.338 -0.655 30 20 DBED COC[C@@H](OC)C(=O)NC[C@H]1CCN(c2nccnc2C#N)C1 1101050592 LVZZWWQUXNQNIB-DGCLKSJQSA-N 319.365 -0.048 30 20 DBED CCN(C(=O)CC(N)=O)[C@@H]1CCN(c2ccnc(C#N)n2)C1 1102783760 GLKVNBAAECBYAM-SNVBAGLBSA-N 302.338 -0.349 30 20 DBED Cc1cc(C#N)nc(NC[C@H](C)CNC(=O)CNC(N)=O)n1 1103869853 KFJSKKWQGSCQQC-MRVPVSSYSA-N 305.342 -0.511 30 20 DBED CC(=O)NC(C)(C)C(=O)NC[C@@H](C)CN=c1cc[nH]c(C#N)n1 1104015957 JSDZPTRZHXVPSA-JTQLQIEISA-N 318.381 -0.151 30 20 DBED C[C@@H]1CN(C(=O)c2ccc(=O)n(C)n2)C[C@H]1CCNCC#N 1104983035 PLGXCRFQROKWOR-VXGBXAGGSA-N 303.366 -0.008 30 20 DBED Cc1[nH]nc(C(=O)N2CC(n3cc(CNCC#N)nn3)C2)c1O 1105211050 FVQQBMRLUVKYAQ-UHFFFAOYSA-N 316.325 -0.675 30 20 DBED Cc1cc(=NC[C@@H](O)CNC(=O)C2=COCCO2)c(C#N)c[nH]1 1105715568 WWOORUIIDGEZPX-GFCCVEGCSA-N 318.333 -0.539 30 20 DBED CCNC(=O)CCC(=O)NC[C@H](O)CNc1ccc(C#N)cn1 1105746062 BHKGMERYIPYXDJ-GFCCVEGCSA-N 319.365 -0.241 30 20 DBED N#Cc1ccc(C(=O)NC[C@H](O)CNc2nccnc2C#N)[nH]1 1105788837 OBIZNXBRFBAGFJ-SNVBAGLBSA-N 311.305 -0.249 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@H](O)CNc1nc(C)cc(C#N)n1 1105805502 BQOLNQXJGRCFTD-DOMZBBRYSA-N 319.365 -0.127 30 20 DBED CN1C[C@H](C(=O)NC[C@@H](O)CNc2ccc(C#N)cn2)CC1=O 1106145200 KEFIMBKSILYXMZ-NEPJUHHUSA-N 317.349 -0.679 30 20 DBED CNC(=O)NCC(=O)NC[C@@H](O)CNc1cccc(F)c1C#N 1106146624 DJOJYWUMUJYSRT-VIFPVBQESA-N 323.328 -0.485 30 20 DBED C#CCCN1CC(n2cc(CNC(=O)CNC(=O)CC)nn2)C1 1107145692 GALSETUQWVRYMD-UHFFFAOYSA-N 318.381 -0.700 30 20 DBED C#CCN1CC(n2cc(CNC(=O)C[C@H]3CCC(=O)N3)nn2)C1 1107219727 VBLKCKFCPQDCRU-LLVKDONJSA-N 316.365 -0.947 30 20 DBED C[C@H](CNc1ncc(C#N)cc1F)NC(=O)Cn1cnnn1 1107635814 QVXYDZGMNWAZAI-MRVPVSSYSA-N 304.289 -0.304 30 20 DBED CC(C)(C(=O)NC[C@@]1(C)CN(CC#N)CCO1)S(C)(=O)=O 1108255812 MMUQBUSFFITKDB-ZDUSSCGKSA-N 317.411 -0.460 30 20 DBED C=CCn1cc(C(=O)NC[C@]2(C)CN(CCO)CCO2)nn1 1108266613 OSRRBFZUBRMMNA-CQSZACIVSA-N 309.370 -0.723 30 20 DBED CC#CCN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN1CCNC(=O)C1)C2 1108738606 BCRAULWJDJFLFB-KKUMJFAQSA-N 318.421 -0.589 30 20 DBED CN(CCCNc1cncc(C#N)n1)C(=O)[C@@H]1CCC(=O)N1 1109486540 DXWVYPJQISESOV-NSHDSACASA-N 302.338 -0.113 30 20 DBED C[C@H](C(=O)NCC1(N=c2cc[nH]cc2C#N)CC1)S(C)(=O)=O 1110390779 CWUCOXLFMLSFQD-SNVBAGLBSA-N 322.390 -0.131 30 20 DBED CCO[C@@H](C)C(=O)N(C)[C@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1111174645 SPNBOMUMQJNAEI-DRZSPHRISA-N 319.365 -0.219 30 20 DBED C[C@@H](N=c1cc[nH]cc1C#N)[C@@H]1CCN(C(=O)CNC(N)=O)C1 1111205395 KUBXHKRXUINHOC-GHMZBOCLSA-N 316.365 -0.308 30 20 DBED CC(=O)N[C@H](C)C(=O)N(CCO)CCNc1nccnc1C#N 1111413927 NXAYWNXHJGOZJY-SNVBAGLBSA-N 320.353 -0.894 30 20 DBED Cn1cnc(C(=O)N(CCO)CCNc2ccc(C#N)cn2)n1 1111460760 LPXUBWRUNROCBJ-UHFFFAOYSA-N 315.337 -0.372 30 20 DBED Cn1ncc(C(=O)N(CCO)CCNc2ccc(C#N)cn2)n1 1111484516 FHWVZRSDXRALGB-UHFFFAOYSA-N 315.337 -0.372 30 20 DBED COC[C@H](C)C(=O)NC[C@@H]1COCCN1c1nccnc1C#N 1111665665 MLFARIWAFZSPRX-NWDGAFQWSA-N 319.365 -0.048 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)c2cnc(C)cn2)CC1 1112600397 WLKJZNNTXBTQTA-ZDUSSCGKSA-N 315.377 -0.319 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCN([C@H]2CCCN(C)C2=O)CC1 1112846759 XJWFSNAGQYOUJS-KBPBESRZSA-N 307.394 -0.210 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)C[C@H]2CCN(C)C2=O)CC1 1112997816 SAMNGJFLMIRXLM-CYBMUJFWSA-N 322.409 -0.699 30 20 DBED C[C@@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)N(C)c1ccnc(C#N)n1 1113882268 SDBYAHGLJYOXEZ-AEJSXWLSSA-N 302.338 -0.589 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3cnc(C)[nH]3)[C@H]2C1 1114037654 GTZIDBZMSAMGJS-YABSGUDNSA-N 303.366 -0.320 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)CNC(=O)CC)[C@H]2C1 1114059963 DJWUIAKQDABPFV-FJJYHAOUSA-N 322.409 -0.750 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@@H]2CN(CC[C@H]3CCCO3)C[C@@H]12 1114159717 KINMHQUYPAMUGN-MGPQQGTHSA-N 319.405 -0.259 30 20 DBED C=C[C@](C)(O)CC(=O)NC1[C@H]2CN(CC(=O)N3CCC3)C[C@H]12 1114193996 KDSHTYWSVSAQIQ-MKBNYLNASA-N 307.394 -0.408 30 20 DBED C=CCCN1C[C@@H]2C(NC(=O)CNS(=O)(=O)CC)[C@H]2C1 1114364481 YUDKNDXGVDIFDS-QWRGUYRKSA-N 301.412 -0.452 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CN(c2cncc(C#N)n2)CC1(C)C 1114419255 ICHZZBVXFNOMHL-GFCCVEGCSA-N 316.365 -0.185 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)[C@H]3CCN(C)C3=O)[C@H]2C1 1114714633 WKKUBNJNWVBANK-MQYQWHSLSA-N 305.378 -0.839 30 20 DBED C[C@@H](CCCNc1cncc(C#N)n1)NC(=O)CNC(N)=O 1114836434 FEJFCFMBKXCKRP-VIFPVBQESA-N 305.342 -0.287 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)[C@@H]3CCO[C@H]3C=C)[C@H]2C1 1114860306 YZDWYIOGDCPSOV-RFGFWPKPSA-N 317.389 -0.627 30 20 DBED C=CCn1cc(C(=O)N[C@H]2[C@@H]3CN(CC#CCOC)C[C@@H]32)nn1 1114941957 HPCDYCLIZDLDAU-NHAGDIPZSA-N 315.377 -0.226 30 20 DBED C=CCn1cc(C(=O)NCC2(NCC(N)=O)CCCCC2)nn1 1115764493 VGQKFIBTVSZOCS-UHFFFAOYSA-N 320.397 -0.028 30 20 DBED C=CCCCCNC(=O)C(=O)NCCCN1C(=O)CNC1=O 1117330668 VKQQFKVMADWAOG-UHFFFAOYSA-N 310.354 -0.483 30 20 DBED C#CCOCCn1nnnc1N1CC[C@@H](COCCOC)C1 1120161582 HSTGNIACSNXGPI-CYBMUJFWSA-N 309.370 -0.188 30 20 DBED CCCC(=O)NCC(=O)NC[C@H](CO)Nc1nccnc1C#N 1121160040 XNKVCGGPZHVMCO-SNVBAGLBSA-N 320.353 -0.846 30 20 DBED Cc1nsc(N[C@H](CO)CNC(=O)Cn2cncn2)c1C#N 1121537126 VYVPMALNBSIIDJ-VIFPVBQESA-N 321.366 -0.496 30 20 DBED COCC[C@H](C)C(=O)NC[C@H](CO)N=c1cc[nH]cc1C#N 1121607484 PBXXTBOSMZVOMB-WCQYABFASA-N 306.366 -0.063 30 20 DBED C=CCO[C@H](C)C(=O)NC[C@H](CO)Nc1ncnc2[nH]cnc12 1121748515 BVULRTAIRSOLQV-NXEZZACHSA-N 320.353 -0.167 30 20 DBED C[C@@H]1[C@H](C(=O)NC[C@@H](CO)Nc2nccnc2C#N)CCN1C 1122752067 FKWAXZKZSVYPHS-GRYCIOLGSA-N 318.381 -0.423 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H]1CC[C@@H](NC(=O)CC(N)=O)C1 1123753019 NBXRONFDKSFNGD-CMPLNLGQSA-N 301.350 -0.053 30 20 DBED C#CCNC(=O)CC(=O)N(C)C[C@H](O)CNc1cc(C)ncn1 1124315174 RMOLVLFVAWLIBQ-GFCCVEGCSA-N 319.365 -0.844 30 20 DBED CN(C[C@H](O)CNc1ccc(C#N)nc1)C(=O)c1cnn(C)n1 1124414569 LMGDVQPTAFQMHC-GFCCVEGCSA-N 315.337 -0.373 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)Cc2cncnc2)C1=O 1126406459 BFOIYRIWAJLFSF-ZDUSSCGKSA-N 303.366 -0.488 30 20 DBED CC(C)C#CC(=O)NCCN[C@@H](C)C(=O)NC(=O)NC(C)C 1126833755 CNNIPMAXBWKXII-LBPRGKRZSA-N 310.398 -0.026 30 20 DBED Cc1nnc(NC(=O)CNCCNC(=O)C#CC2CC2)s1 1126875402 FIFXCSKLLALXJT-UHFFFAOYSA-N 307.379 -0.096 30 20 DBED C#CCOCCC(=O)NCCNCc1nsc(N(C)C)n1 1127027143 JXBHVKUQVVTIDF-UHFFFAOYSA-N 311.411 -0.150 30 20 DBED C=CCOCCNCCNC(=O)Cc1nnn(C(C)(C)C)n1 1128048314 YPOYUMIINRXMTC-UHFFFAOYSA-N 310.402 -0.121 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1cn2c(n1)CCCC2 1128563775 IJCVDEBPAQBXCY-UHFFFAOYSA-N 304.354 -0.821 30 20 DBED CNC(=O)NCC(=O)NCCNCc1ccc(F)c(C#N)c1 1128790574 XRHQBJIEOSAEKW-UHFFFAOYSA-N 307.329 -0.168 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)Cc1ncc(CC)[nH]1 1129831485 WZVHPAARWZRAEC-LLVKDONJSA-N 307.398 -0.089 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)c1[nH]c(C)cc1C 1130313857 SWXKZPACUCIGSW-UHFFFAOYSA-N 321.381 -0.037 30 20 DBED N#CCN1CC[C@@H](c2n[nH]cc2CNC(=O)Cn2nccn2)C1 1130392480 MYZXSGPTNTXVTJ-LLVKDONJSA-N 314.353 -0.370 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2cc[nH]n2)CC[C@@H]1C 1131813970 SLSWQZBNYWUAIT-RYUDHWBXSA-N 303.366 -0.258 30 20 DBED C=C[C@](C)(CCOC)C(=O)NCCNCC(=O)NC(N)=O 1131867669 UDVDNVWKIQBJBZ-CYBMUJFWSA-N 300.359 -0.884 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)c1cn(C)nc1OC 1132278687 ZFPCUMRFGGJHQU-JTQLQIEISA-N 309.370 -0.561 30 20 DBED N#CCNC(=O)CNCCNC(=O)[C@H]1Cc2ccncc2C1 1133877491 ZSYOYHALVPKMNO-LBPRGKRZSA-N 301.350 -0.858 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)c1cnnn1CC 1134321270 GNBZXPOFMWKTIJ-RYUDHWBXSA-N 320.397 -0.466 30 20 DBED COCC#CCN[C@@H](C)C[C@@H](C)NC(=O)Cn1ncn(C)c1=O 1134787694 OCRNYDVHNDZOKN-QWHCGFSZSA-N 323.397 -0.896 30 20 DBED C=CCCn1cc(C(=O)NCCN[C@H](C)C(=O)NCC=C)nn1 1135075700 VJDYXRVPSDXHRR-GFCCVEGCSA-N 320.397 -0.136 30 20 DBED CCc1nc(C)c(C(=O)NCCNCC(=O)NCC#N)s1 1135233666 CIVLPVWXCZBCLS-UHFFFAOYSA-N 309.395 -0.027 30 20 DBED C[C@@H](C[C@H](C)NC(=O)Cc1cnc[nH]1)NCC(=O)NCC#N 1135575642 JINAIUGDPVQIJN-QWRGUYRKSA-N 306.370 -0.535 30 20 DBED C=CCOCC(=O)N1CC2(CCN(CC(=O)N3CCC3)C2)C1 1147260686 DXEGZPRMBZRUAF-UHFFFAOYSA-N 307.394 -0.044 30 20 DBED C#CCO[C@H](C)C(=O)N1CC2(CCN(Cc3ncnn3C)C2)C1 1147530422 MAUUPZXJKPIJGD-CYBMUJFWSA-N 317.393 -0.112 30 20 DBED C#CCCN1CCCO[C@H](CNC(=O)[C@]2(C)CCC(=O)N2)C1 1150276032 HFONSCPTMTVMCC-CJNGLKHVSA-N 307.394 -0.115 30 20 DBED C=CCN1CCCO[C@@H](CNC(=O)Cn2c(O)nnc2O)C1 1150653980 TUQNTKABCLRYBT-JTQLQIEISA-N 311.342 -0.918 30 20 DBED C#CCN1CCC(CCOC)(NC(=O)[C@@H]2COC(=O)N2)CC1 1151100093 LSVPXPHNLDQRMR-LBPRGKRZSA-N 309.366 -0.285 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)NCCCNC(=O)c1cc[nH]n1 1154902637 LNYOSDPSIDIIRA-SNVBAGLBSA-N 322.369 -0.481 30 20 DBED C#CCO[C@H](C)C(=O)NCCCNC[C@H](O)COCCOC 1157874324 NWVSIOMOVXOOFR-KGLIPLIRSA-N 316.398 -0.856 30 20 DBED Cc1cc(=O)c(C(=O)NCCCNCC(=O)NCC#N)cn1C 1160472506 FHSYFZZKZGTYKS-UHFFFAOYSA-N 319.365 -0.957 30 20 DBED C=CCC[C@H](C)NCCCNC(=O)CNC(=O)CNC(C)=O 1161168153 QBEDIVYYGPBYBX-LBPRGKRZSA-N 312.414 -0.311 30 20 DBED COCC1(CNC(=O)c2cnn(C)n2)CCN(CC#N)CC1 1162533761 SKFGILLZJAHWSB-UHFFFAOYSA-N 306.370 -0.203 30 20 DBED C=CCCn1cc(C(=O)NCCCN[C@@H](CC)C(N)=O)nn1 1167999379 VTNPYDBWJFEYNG-NSHDSACASA-N 308.386 -0.172 30 20 DBED N#CCNC(=O)CN1CCO[C@H]2CCN(C(=O)C3CCC3)C[C@@H]21 1176881401 DPVUFQMQGAWBMW-KBPBESRZSA-N 320.393 -0.272 30 20 DBED C=CCNC(=O)CNCCCNC(=O)C(C)(C)NC(=O)NC 1176912205 ZOYGOLSZUDNXGE-UHFFFAOYSA-N 313.402 -0.908 30 20 DBED CNC(=O)CCCC(=O)N1CC[C@H]2OCCN(CC#N)[C@@H]2C1 1176995060 RUHZRZKINGINBZ-CHWSQXEVSA-N 308.382 -0.272 30 20 DBED C#CCCN1CCO[C@@H]2CCN(C(=O)C3(C(=O)NC)CC3)C[C@@H]21 1177112018 DIXXPFDYXKRBPJ-UONOGXRCSA-N 319.405 -0.162 30 20 DBED C[C@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)CCCCC(N)=O 1179876806 XGVYIDCNCJSKFH-RYUDHWBXSA-N 323.397 -0.749 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2ccc(O)nn2)C1 1180788125 OTXCVWKMWMWKCM-GHMZBOCLSA-N 317.349 -0.876 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)CCc2nc[nH]n2)C1 1181916874 JHIFDMGMHPLCFC-NWDGAFQWSA-N 318.381 -0.934 30 20 DBED CCCN1CCC[C@@H]1C(=O)N1CC[C@@H](NCC(=O)NCC#N)C1 1183040616 UVIITGZDLVQYCL-ZIAGYGMSSA-N 321.425 -0.309 30 20 DBED CNC(=O)NCC(=O)N1CC[C@H](CNCC#CCOC)[C@@H](C)C1 1184510557 FGAMAONDWIKHPC-UONOGXRCSA-N 324.425 -0.361 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 1185289758 SVUMFVKAEIFLMH-GHMZBOCLSA-N 308.382 -0.867 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CN(CC)CCO2)C1 1187982133 GCXQXKTXUMWAOQ-ZIAGYGMSSA-N 324.425 -0.800 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)CCn2cncn2)C1 1188895379 GLPIRGLYYKYLAY-ZDUSSCGKSA-N 320.397 -0.497 30 20 DBED C=C(C)CN(CC)C(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H](C)C#N)C1 1191863539 GDAWDSMNCZWVAH-MGPQQGTHSA-N 322.409 -0.268 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)CCc2cn[nH]c2)C1 1192759110 ONMRGLKYTRBLJT-CQSZACIVSA-N 317.393 -0.376 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@H]1CCN(C(=O)Cc2ncc[nH]2)C1 1193066083 GQOAJXRNIXQBNN-OLZOCXBDSA-N 317.393 -0.377 30 20 DBED C=CCC[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1 1196891677 COHMFYVIMNZHET-RAIGVLPGSA-N 323.393 -0.445 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)COC2CCN(C)CC2)C1 1197319693 PFPILJUVQQNYND-HUUCEWRRSA-N 311.426 -0.165 30 20 DBED N#CCNC(=O)CN1CCCN(C(=O)c2nccs2)CC1 1197536688 IQZCBZISNCPCCB-UHFFFAOYSA-N 307.379 -0.069 30 20 DBED N#CCNC(=O)CNC[C@@H]1CN(C(=O)/C=C\C2CC2)CCCO1 1200207356 SLOSCZZEBGRDBO-ZRUQZJFASA-N 320.393 -0.201 30 20 DBED C[C@@H](NC1CCN(C(=O)C#CC2CC2)CC1)C(=O)NC(N)=O 1200461778 JHEAOBAOZIXZGR-SNVBAGLBSA-N 306.366 -0.436 30 20 DBED CC#CCNCC1CCN(C(=O)[C@H](C)NS(C)(=O)=O)CC1 1206410756 NVOLCYINZBRAEF-LBPRGKRZSA-N 315.439 -0.224 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(C[C@H]2CCCOC2)C[C@H]1C 1206887213 BFFGUJDLBRTEQB-RBSFLKMASA-N 321.421 -0.011 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[nH]2)C[C@H]1C 1206914663 MVDRHOQYEIKVQZ-UEKVPHQBSA-N 323.397 -0.628 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(CCS(C)(=O)=O)C[C@H]1C 1206960095 SBFFAGKCBXOSBX-CHWSQXEVSA-N 316.423 -0.493 30 20 DBED Cc1cnc(C(=O)N2CCC[C@@H](NCC(=O)NCC#N)C2)cn1 1207135826 LSCQVJIQBFBDAV-GFCCVEGCSA-N 316.365 -0.381 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)Cc2ncc[nH]2)C1 1210304273 NCULIWBZVVNXOD-LBPRGKRZSA-N 303.366 -0.718 30 20 DBED C#CCCN[C@H]1CCCN(C(=O)[C@H]2COCCN2C(C)=O)C1 1211160793 QWXCWAZFXNCHAQ-LSDHHAIUSA-N 307.394 -0.162 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(CCn2cncn2)C[C@H]1OC 1212194811 XVSKWKTVRYHVAX-UMVBOHGHSA-N 323.397 -0.579 30 20 DBED C=CCC[C@@H](C)N1C[C@@H](NC(=O)c2nnn(C)n2)[C@H](OC)C1 1213275493 GUCFVFCISYSCMF-IJLUTSLNSA-N 308.386 -0.006 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@H](C)NC(=O)C2CCC2)[C@H](OC)C1 1213993223 QGAWFOHPAGSGPX-IACUBPJLSA-N 307.394 -0.260 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2ncccn2)C[C@H]1C 1216019985 GNBOTEHXYWXNQE-JHJVBQTASA-N 315.377 -0.335 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCO[C@@H]2CN(Cc3cnon3)C[C@@H]21 1217876660 QSLJGAKPQWMSHK-FPMFFAJLSA-N 320.349 -0.481 30 20 DBED C=CCCCN1C[C@H](O)[C@H](NC(=O)[C@@H](C)S(C)(=O)=O)C1 1219889435 QZAFVIOYMOTJRF-UTUOFQBUSA-N 304.412 -0.453 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)C(C)(C)NC(=O)NCCC)C1 1221072228 VHAPKUNBZMGEJB-OLZOCXBDSA-N 324.425 -0.341 30 20 DBED N#CCNC(=O)CN1CC[C@@H]2CN(C(=O)Cn3cccn3)[C@@H]2C1 1221268749 ZFSIXDODOXXSDG-CHWSQXEVSA-N 316.365 -0.944 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)CCCN3C(=O)CNC3=O)[C@@H]2C1 1222007034 AMSWSUREGMTCRV-CHWSQXEVSA-N 318.377 -0.516 30 20 DBED C#CCN1CC[C@@H]2CCN(C(=O)CS(=O)(=O)N(C)C)C[C@@H]21 1224037477 UBIADBOCLUZCEG-OLZOCXBDSA-N 313.423 -0.566 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)[C@@H]2C[C@H]2C(=O)OC)CC1 1226471536 PRJSUHDEBXPMMW-CHWSQXEVSA-N 321.377 -0.875 30 20 DBED C#CCO[C@H](C)C(=O)NC1CCN([C@@H](C)c2nnnn2C)CC1 1227342479 OJBXTRZSDISZQS-NWDGAFQWSA-N 320.397 -0.110 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)CN2CCCC2)CC1 1230267418 BUCADJZJQXMYJO-UHFFFAOYSA-N 306.410 -0.588 30 20 DBED CN(C[C@@H]1CCN1CC(=O)NCC#N)C(=O)[C@@H]1CCCOCC1 1233926634 PYRQHLJXSWFKQA-KGLIPLIRSA-N 322.409 -0.024 30 20 DBED C=C[C@](C)(O)CC(=O)N(C)C[C@@H]1CCN1CC(=O)NCC#N 1233977539 NPIKYHJPFNBPNU-WFASDCNBSA-N 308.382 -0.514 30 20 DBED C#CCOCCNC(=O)C(=O)N(C)[C@H](C)C1CCN(C)CC1 1260310431 XXZNRQFXRGWRED-CYBMUJFWSA-N 309.410 -0.059 30 20 DBED CCN(CCO)CCNC(=O)CCN/C(O)=C1/N=CC=CC1=O 1321271574 WBJSTGWBPLRAHD-PFONDFGASA-N 324.381 -0.667 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N[C@H](CO)c1cnn(C)c1 1323682353 VQQABPCMKGENQC-LLVKDONJSA-N 316.383 -0.647 30 20 DBED C=CCN(C(=O)C(=O)N1CCO[C@H](CC(=O)OC)C1)C1CC1 1325107463 FDNGDIXIHQHWOY-GFCCVEGCSA-N 310.350 -0.046 30 20 DBED CN(CCCn1ccnc1)C(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1326227299 MTYDTFBVJBWFGX-HNNXBMFYSA-N 319.365 -0.391 30 20 DBED CC(C)(CO)CCCNC(=O)C(=O)N1CC[C@](O)(CC#N)C1 1326849949 UXZJCPKCAAHHIX-OAHLLOKOSA-N 311.382 -0.222 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CCC[C@H](OC)C2)C1=O 1327165493 SLVAXAREQRRNHQ-STQMWFEESA-N 323.393 -0.131 30 20 DBED C=C(CC)CNC(=O)C(=O)N1CCN(CC(=O)NCC)CC1 1327757459 JOUFHZDXCBDLRJ-UHFFFAOYSA-N 310.398 -0.651 30 20 DBED C#CCn1cc(CNC(=O)CCn2cnc3c(N)ncnc32)cn1 1331171059 ONVQTEXQIFLVRJ-UHFFFAOYSA-N 324.348 -0.055 30 20 DBED Cn1ccnc1[C@@H](O)C1CCN(C(=O)NCC#CCO)CC1 1332816290 RLROOFFLJCBXMO-ZDUSSCGKSA-N 306.366 -0.129 30 20 DBED C#CCCCn1nnnc1N1CCC(NC(=O)COC)CC1 1335815596 YFTPWPZXULHBSU-UHFFFAOYSA-N 306.370 -0.182 30 20 DBED CCOCCN1CCN(c2[nH]c(=O)n(C)c(=O)c2C#N)CC1 1336503531 NSRNGMKEOGXVAZ-UHFFFAOYSA-N 307.354 -0.896 30 20 DBED C#CCOCCn1nnnc1N1CC[C@H](CN2CCCC2=O)C1 1337456298 RNYKQBLNJBWIRS-CYBMUJFWSA-N 318.381 -0.228 30 20 DBED C=C(C)COCCNC(=O)C(=O)N1CC(N2CCCC2=O)C1 1341478571 DNBFMSDAPBCVTK-UHFFFAOYSA-N 309.366 -0.472 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CCN(C(=O)N(C)C)CC1 1349086833 LMDWEYCSQOUQSH-LLVKDONJSA-N 312.370 -0.871 30 20 DBED C[C@H](C(=O)N1CCC[C@@H](CNC(N)=O)C1)n1cnc(C#N)n1 1361649784 GQBDHIYHLOHIEP-ZJUUUORDSA-N 305.342 -0.382 30 20 DBED C[C@H](C(=O)N[C@@H]1CCc2c(nnn2C)C1)n1cnc(C#N)n1 1361883695 IRNYEOJXJOTFJN-RKDXNWHRSA-N 300.326 -0.487 30 20 DBED Cc1nn(CC(=O)N2CCCC[C@H]2C(N)=O)c(=O)c(C#N)c1C 1364592115 KCUCKLDXEFTUPP-LBPRGKRZSA-N 317.349 -0.402 30 20 DBED CN(CCNC(=O)C[C@H]1CCC(=O)N1)c1cncc(C#N)n1 1365772117 XJJSMZRWJARTRH-SNVBAGLBSA-N 302.338 -0.431 30 20 DBED CC(=O)NCC(=O)NC[C@@H](O)CNCc1cccc(C#N)c1 1367570362 WRMYGQQNENBFNU-AWEZNQCLSA-N 304.350 -0.739 30 20 DBED N#Cc1ccc(CNC[C@@H](O)CNC(=O)[C@H]2C[C@H]2C(N)=O)s1 1367617129 MAPZHBQRXFFWGJ-FXAINCCUSA-N 322.390 -0.692 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1cccc2nccn12 1376657455 UKOFKEAIULDJKR-GHMZBOCLSA-N 315.333 -0.299 30 20 DBED CCN(CCNC(=O)c1ccn2nnnc2c1)C(=O)[C@H](C)C#N 1388363371 IQECWEZJKMJZRY-SNVBAGLBSA-N 315.337 -0.138 30 20 DBED CCN1CC[C@@H](NC[C@@H](O)CNC(=O)c2cc(C#N)c[nH]2)C1=O 1401504940 LNXCBCUKQXHUAF-VXGBXAGGSA-N 319.365 -0.813 30 20 DBED C=C(Cl)CNC[C@@H](O)CNC(=O)c1nc2ncccn2n1 1401582617 OCLSPAROGBJYSZ-SECBINFHSA-N 310.745 -0.443 30 20 DBED C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)[C@@H]1CCC(=O)N1C 1431888811 MRVZPGXRMYLDJR-CABZTGNLSA-N 317.349 -0.258 30 20 DBED CC(=O)N1CC(C(=O)N2CC[C@@H](CN(C)C(=O)[C@H](C)C#N)C2)C1 1432058056 FZHPMDDLPFADQQ-YPMHNXCESA-N 320.393 -0.069 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)[C@H](C)CN2CCOCC2)CC1 1432299450 XZAUOGDTTRNURN-CHWSQXEVSA-N 322.409 -0.121 30 20 DBED C[C@@H](C(=O)NC[C@@H]1CC(=O)N(C2CC2)C1)n1cnc(C#N)n1 1433850361 HQNICAIWXJKDHF-UWVGGRQHSA-N 302.338 -0.162 30 20 DBED C=C(Cl)CN1CC(O)(CNC(=O)[C@@H]2CC(=O)N(CC)C2)C1 1446853846 HOBHBTMEMDORPI-LLVKDONJSA-N 315.801 -0.230 30 20 DBED CC(=O)NCC(=O)N1CC[C@@H]1CN(C)C(=O)c1cc(C#N)c[nH]1 1452835197 QWAJRKBXPDHTNX-GFCCVEGCSA-N 317.349 -0.305 30 20 DBED CCN(CCNC(=O)[C@@H]1CCc2nncn2C1)C(=O)[C@H](C)C#N 1455600050 YCEIBCYCIFHAII-VXGBXAGGSA-N 318.381 -0.035 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)c2cccc(C(N)=O)n2)CC1 1506191636 QGSXFQTUBWYESC-VIFPVBQESA-N 315.333 -0.281 30 20 DBED COCCN(CCNC(=O)c1cnsn1)C(=O)[C@H](C)C#N 1511847955 OQBXBYNEBRGUCR-SECBINFHSA-N 311.367 -0.097 30 20 DBED Cc1nnc(N2CCO[C@H](C#N)C2)n1CCCn1ccnn1 1543338822 CRRZLPMMCOFCRY-GFCCVEGCSA-N 302.342 -0.003 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCc1cncc(-c2nn[nH]n2)c1 1573284922 AMIIVAYOKGNQAS-ZDUSSCGKSA-N 311.349 -0.025 30 20 DBED C[C@H](C(=O)Nc1nn(C)cc1C#N)n1cnc(-c2nn[nH]n2)n1 1573755007 MTHRZMWORQVVSH-ZCFIWIBFSA-N 313.285 -0.737 30 20 DBED N#CCC1(O)CN(CC(=O)Nc2nc(CC(=O)O)cs2)C1 1574241788 QAVALBSZUGXOPV-UHFFFAOYSA-N 310.335 -0.331 30 20 DBED CC#CC[C@H](N)C(=O)Nc1cccc(C(=O)NCC(N)=O)c1 1574969543 KLBSSAYBGXPGEP-LBPRGKRZSA-N 302.334 -0.419 30 20 DBED N#C[C@@]12CN(C(=O)[C@H]3CSCN3)C[C@H]1CS(=O)(=O)C2 1580056134 LYVNWXIDTPIHES-NGZCFLSTSA-N 301.393 -0.954 30 20 DBED C#CC[C@@H](CCOC)NC(=O)[C@H]1CCCN(CC(=O)O)C1=O 1588389381 UCSXIOHJARZMOB-NWDGAFQWSA-N 310.350 -0.146 30 20 DBED C#CCN(CC(=O)O)CC(=O)NC[C@H]1COc2ccccc2O1 1588420393 XQUYZQHCAHJUJY-LBPRGKRZSA-N 318.329 -0.038 30 20 DBED C#CCOCCCOC(=O)C1(C(=O)O)CCS(=O)(=O)CC1 1588431035 JMZSRQMHDOPKME-UHFFFAOYSA-N 318.347 -0.151 30 20 DBED C=C[C@H](CO)NS(=O)(=O)c1ccc(-c2nn[nH]n2)s1 1588730795 OIJWQJPQEJOBCT-ZCFIWIBFSA-N 301.353 -0.247 30 20 DBED C=CCN1CC[C@@H](N(C)S(=O)(=O)CC2(C(=O)O)CC2)C1=O 1588839204 PSZQMHHPLMNCSV-SNVBAGLBSA-N 316.379 -0.100 30 20 DBED C=CCn1cc(CNS(=O)(=O)c2n[nH]cc2C(=O)O)nn1 1588909575 YQQDVKFNAYYOHF-UHFFFAOYSA-N 312.311 -0.636 30 20 DBED Cc1nc([C@H]2CCN(c3cnc(C#N)c(-c4nn[nH]n4)n3)C2)n[nH]1 1592357916 IVBUXVQFXBFBRL-QMMMGPOBSA-N 323.324 -0.051 30 20 DBED N#Cc1ccc(CNC(=O)[C@@H]2CCCN(CC(=O)O)C2=O)nc1 1594620562 LTDFYTLLRMBGIM-LBPRGKRZSA-N 316.317 -0.107 30 20 DBED N#Cc1cn(CC(=O)N2CCCC[C@@H]2CC(=O)O)c(=O)nc1O 1594632214 YHBUJXDUSZGVAJ-SNVBAGLBSA-N 320.305 -0.324 30 20 DBED Cc1onc(CC(=O)N2CC(=O)N(C)C[C@@H]2C(=O)O)c1C#N 1600862552 CAVATUFBBRXTMJ-SNVBAGLBSA-N 306.278 -0.849 30 20 DBED Cn1ncc(CNS(=O)(=O)c2ccc(C#N)cc2C(=O)O)n1 1601027588 MZQPBWVCSQDNAJ-UHFFFAOYSA-N 321.318 -0.137 30 20 DBED N#Cc1ncn(CCNS(=O)(=O)c2ccccc2C(=O)O)n1 1601136504 RARMQEDWQIZOES-UHFFFAOYSA-N 321.318 -0.174 30 20 DBED C#CCN(C(=O)[C@@H]1CCCN(CC(=O)O)C1=O)C1CSC1 1602675648 GQWDICOXMXFJHD-LLVKDONJSA-N 310.375 -0.113 30 20 DBED C#CC[C@@H](NS(=O)(=O)C1(C(=O)OCC)CCC1)C(=O)O 1602698889 ZPLNKWYEQJYDBB-SECBINFHSA-N 303.336 -0.132 30 20 DBED C=C(C)COCCNC(=O)C(=O)Nc1cnn(CC(=O)O)c1C 1602762328 HMDINQZTRFXOAJ-UHFFFAOYSA-N 324.337 -0.076 30 20 DBED N#Cc1ccc([C@@H](C(=O)O)N2CCN3C(=O)NC(=O)[C@H]3C2)cc1 1608199920 RREWOGQRGTZRMT-NEPJUHHUSA-N 314.301 -0.080 30 20 DBED CCCS(=O)(=O)CCn1c(N)nc(-c2nn[nH]n2)c1C#N 1609216346 BCQFZCLRRQNDOL-UHFFFAOYSA-N 310.343 -0.658 30 20 DBED N#Cc1cccc([C@H](C(=O)O)N2CCN3C(=O)NC(=O)[C@H]3C2)c1 1610630300 NEKUXTOZBYRBPS-VXGBXAGGSA-N 314.301 -0.080 30 20 DBED C#CCOCCC(=O)N[C@H]1CCN([C@H](C)C(=O)NC(=O)NC)C1 1713950082 YVDBPZMPDYUAJV-NEPJUHHUSA-N 324.381 -0.939 30 20 DBED Cn1cc(CC(=O)NC[C@H](NCC(=O)NCC#N)C2CC2)cn1 1752448909 HPASRTKVWBMLKV-ZDUSSCGKSA-N 318.381 -0.913 30 20 DBED C#CCNC(=O)CN[C@H](CNC(=O)c1cc(C#N)c[nH]1)C1CC1 1752454003 GZEGJRQSSJCPPA-CQSZACIVSA-N 313.361 -0.266 30 20 DBED C=CCNC(=O)NC(=O)CN[C@H]1C[C@H](NC(=O)[C@@H]2CCOC2)C1 1752619360 KXLQLONSHKDPEU-IJLUTSLNSA-N 324.381 -0.729 30 20 DBED C#CCNC(=O)CN[C@H](C)CNC(=O)[C@H]1CCCCN(C)C1=O 1752913207 IOJVCYJCJHVQJL-CHWSQXEVSA-N 322.409 -0.911 30 20 DBED C=CCNC(=O)CN[C@H](C)CCNC(=O)[C@]1(C)CCNC(=O)C1 1753009745 JPQQAWHLSLRMFQ-MLGOLLRUSA-N 324.425 -0.311 30 20 DBED N#CCNC(=O)CN1CCC[C@H]1CNC(=O)C1=COCCC1 1753096953 AWLRVQZDSXVKHK-ZDUSSCGKSA-N 306.366 -0.099 30 20 DBED C=CCNC(=O)CN1CCC[C@H]1CNC(=O)c1cnnn1C 1753104527 GQHQVVJHJLFFOC-NSHDSACASA-N 306.370 -0.689 30 20 DBED C=CCN1CC[C@@H](NCCN(C)C(=O)CCc2nc[nH]n2)C1=O 1753179275 DPDRFGBNHNOOSO-GFCCVEGCSA-N 320.397 -0.428 30 20 DBED C#CCNC(=O)CN1CC(NC(=O)c2ccncc2Cl)C1 1753387232 KZDDQWFZXBFDEZ-UHFFFAOYSA-N 306.753 -0.102 30 20 DBED C=CCNC(=O)CN[C@H](CC)CNC(=O)[C@H]1CCNC(=O)CC1 1753483341 OHOHYQJQCPJZFH-CHWSQXEVSA-N 324.425 -0.311 30 20 DBED COCC#CCNC[C@H](C)NC(=O)COCc1ccnn1C 1754272191 RFYLWYHSLFKTGZ-ZDUSSCGKSA-N 308.382 -0.319 30 20 DBED CC#CCN[C@H]1CCN(C(=O)CN2CCNC(=O)C2)C[C@H]1CC 1754470951 SUZIVOLYPPXVBH-CABCVRRESA-N 320.437 -0.342 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@@H]1CNC(=O)Cc1cc[nH]n1 1754476740 BPDAUKXHUHSLGW-WCQYABFASA-N 303.366 -0.719 30 20 DBED C#CCN(C(=O)c1[nH]c(O)nc1C)C1CCN(CC(N)=O)CC1 1754638542 BWDJGODXPFUCIJ-UHFFFAOYSA-N 319.365 -0.551 30 20 DBED C#CCNC(=O)CNC[C@@]1(C)CCN(C(=O)[C@H](CC)OC)C1 1754689444 LYSMLTUVULJYLV-XJKSGUPXSA-N 309.410 -0.011 30 20 DBED C=CCCNC[C@H]1CN(C(=O)C2CC(=O)NC(=O)C2)CCO1 1755013831 WVNDRAKYUCRZAX-LBPRGKRZSA-N 309.366 -0.568 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@]2(C)CN(C(=O)C(N)=O)C[C@@]2(C)C1 1755460254 DQSPZBLWSUVCEB-KNXALSJPSA-N 322.409 -0.667 30 20 DBED Cc1cc(C(=O)N[C@@H](C)CCCNCC(=O)NCC#N)cnn1 1755495784 NBJJPTGIGKDIMO-NSHDSACASA-N 318.381 -0.087 30 20 DBED CN1CCCC[C@@H](C(=O)NCCOCCCNCC#N)C1=O 1755553723 MRJRBNIJLRUPNN-ZDUSSCGKSA-N 310.398 -0.119 30 20 DBED CC#CCN[C@H](CO)CNC(=O)Cn1nnc2c1CCCC2 1755639240 MFZJQMYORKAKFN-LBPRGKRZSA-N 305.382 -0.753 30 20 DBED C=CCC1(C(=O)NC[C@H](CO)NC[C@@H](C)O)CCOCC1 1755645845 WTRSLBWDJNWBAJ-CHWSQXEVSA-N 300.399 -0.193 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H](C)N(C)C(=O)Cn1cncn1 1756027122 NEHBELVNDAWBDK-NEPJUHHUSA-N 307.354 -0.721 30 20 DBED C#CCO[C@H](C)C(=O)NC1(CCO)CN(C(=O)c2ncc[nH]2)C1 1756083286 RAHWOCQKQFUJKD-LLVKDONJSA-N 320.349 -0.859 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@H](C)CN(C)C(=O)C1(C(N)=O)CC1 1756488926 QNARYVHHDGRHLV-QMTHXVAHSA-N 311.382 -0.458 30 20 DBED CC(C)C#CC(=O)N1C[C@H]2CCN(C(=O)[C@H]3CCNC3=O)C[C@H]21 1757228827 XHQCBDWREPXOSZ-HZSPNIEDSA-N 317.389 -0.159 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@@H](CNC(=O)C(=O)NCC(F)F)C1 1757323798 ZREJSSNWNGEXFT-XHNCKOQMSA-N 316.308 -0.462 30 20 DBED COCCn1cc(S(=O)(=O)N2CCO[C@H](C#N)C2)cn1 1771629653 YAIPWTQRXVWFGV-SNVBAGLBSA-N 300.340 -0.557 30 20 DBED COC(=O)Cn1cc(CCN2CCN(CCC#N)CC2)nn1 1771860333 LJVFZOFXHVVQIB-UHFFFAOYSA-N 306.370 -0.475 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)n1cncn1)CCO2 1783053519 IDPFHFGMLHLAQY-WFASDCNBSA-N 317.349 -0.698 30 20 DBED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)n3cccn3)C2)C1 1784527437 XYIIQTCUMLTVQK-BBRMVZONSA-N 316.361 -0.093 30 20 DBED O=C(C(O)O)N1CC2(CCCN2C(=O)C/N=C/c2ccco2)C1 1844313329 JLEMYHSVIVEXJD-FRKPEAEDSA-N 321.333 -0.787 30 20 DBED C[C@@H](S)C(=O)N1CCCC12CN(C(=O)Cn1ccnn1)C2 1846367856 UVFLTRVXHJQICI-SNVBAGLBSA-N 309.395 -0.200 30 20 DBED CC(C)[C@@](C)(C#N)NC(=O)COC(=O)CN1C(=O)CCC1=O 26139597 SKNRDFWQUKPYPW-CQSZACIVSA-N 309.322 -0.267 30 20 DBED C[C@@H](O)[C@H](NS(=O)(=O)c1ccc(F)c(C#N)c1)C(=O)O 71238271 WTKVXATVBFWKBX-LDWIPMOCSA-N 302.283 -0.190 30 20 DBED CN1CCN(c2ncc(CN3CCO[C@@H](C#N)C3)cn2)CC1 93135754 XEBTUFSAJMJLGW-AWEZNQCLSA-N 302.382 -0.047 30 20 DBED C=CCN(CC=C)C(=O)[C@H](C)N1CCN2C(=O)C(=O)NC[C@H]2C1 248176663 VRIPWEARHRHMCG-STQMWFEESA-N 320.393 -0.782 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H](NC)C2)C1=O 261725853 MBMVNIGWLRDGPH-JTQLQIEISA-N 308.338 -0.826 30 20 DBED N#Cc1cccc(CS(=O)(=O)N2CCO[C@H](C(N)=O)C2)c1 264483896 MHFXIEPCTGANJK-LBPRGKRZSA-N 309.347 -0.426 30 20 DBED C#CCOc1cccc(NC(=O)CNC(=O)CNC(C)=O)c1 264500039 VHQDKSBFTXTPGX-UHFFFAOYSA-N 303.318 -0.111 30 20 DBED COC(=O)[C@H](NC(=O)C#Cc1ccc2c(c1)OCO2)[C@H](C)O 274413910 CJDISCXBJGNCDV-LKFCYVNXSA-N 305.286 -0.195 30 20 DBED C[C@H](N/C(O)=N/C[C@]1(O)CCOC1)[C@H](C)N1CCOCC1 328875141 ZJGQMGWJSHFMRH-SGMGOOAPSA-N 301.387 -0.249 30 20 DBED CC[C@@H](/N=C(/O)N(C)[C@@H]1COC[C@H]1O)C(=O)N1CCOCC1 329308701 ZYUVNXKADIOPGZ-IJLUTSLNSA-N 315.370 -0.771 30 20 DBED C[C@H](C/N=C(/O)N1C[C@@H]2OCCN(C)[C@@H]2C1)N1CCOCC1 329923653 HCCTWEPWPAEHEF-MCIONIFRSA-N 312.414 -0.364 30 20 DBED C/N=C(/O)NCC(=O)N1C[C@H](C(=O)NCCOC)CC[C@H]1C 330502411 WTXNXVCUKGZMOC-GHMZBOCLSA-N 314.386 -0.491 30 20 DBED COC[C@@H]1CN(S(=O)(=O)N2CCO[C@H](C#N)C2)C[C@H](C)O1 337160956 UDCTXCUOEDYJBA-TUAOUCFPSA-N 319.383 -0.809 30 20 DBED C=CC[C@@H](CO)CNC(=O)c1cnc2c(c1)c(O)nc(=O)n2C 342179239 KYUCRHMJNACRGM-SECBINFHSA-N 318.333 -0.052 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)N[C@@H](CO)[C@@H]2CCCO2)cc1 344944450 PDFRPRVRFRCYDP-KBPBESRZSA-N 317.345 -0.056 30 20 DBED C=CCNC(=O)CNC(=O)N(C)[C@H](C)[C@H](C)S(C)(=O)=O 346832048 NPXDIFFITFFFBK-ZJUUUORDSA-N 305.400 -0.248 30 20 DBED CC(C)n1cc(C#N)c(NC(=O)C(=O)NC[C@@H]2CCC[C@H]2O)n1 359221168 IGBGUWZLVPWRSB-CMPLNLGQSA-N 319.365 0.551 30 20 DBED N#Cc1ccc(CNC(=O)CN2CCO[C@@H](C(N)=O)C2)cc1 371474546 DBHPMEJVBSFAFU-CYBMUJFWSA-N 302.334 -0.639 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCSC[C@H]1C(N)=O 407953397 LMXOEAZDSMIHLV-ZJUUUORDSA-N 320.440 -0.385 30 20 DBED CCC[C@H](C#N)NC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 525197609 BNDYVTWRTKELCH-NPNZPCOPSA-N 305.334 -0.043 30 20 DBED C[C@H](NC(=O)Cc1ccc(C#N)nc1)C(=O)N1CCOCC1 528283280 NQNSMMGRMACHMJ-NSHDSACASA-N 302.334 -0.141 30 20 DBED N#C[C@@H]1CN(C(=O)c2ccc(S(N)(=O)=O)cc2F)CCO1 536110492 XVLYFYYRBFSOFU-MRVPVSSYSA-N 313.310 -0.162 30 20 DBED Cc1nn(C)c(C)c1OCC(=O)NCCn1cnc(C#N)n1 574817397 KSIPORCOFPEZIH-UHFFFAOYSA-N 303.326 -0.305 30 20 DBED N#CCc1ccc(OC[C@H](O)CNCC(=O)NCCO)cc1 592432108 OQPDDFMVDZYTNV-CYBMUJFWSA-N 307.350 -0.810 30 20 DBED N#CCN1CCC(NC(=O)c2ccc(-n3cnnn3)cn2)CC1 594281346 FMQCWWBVLHVWHL-UHFFFAOYSA-N 312.337 -0.225 30 20 DBED C=CCCSCCNC(=O)C(=O)N1CCO[C@@H]([C@H](C)N)C1 595284987 YWDXXNOZYCPREE-NWDGAFQWSA-N 315.439 -0.014 30 20 DBED CO[C@@H]1CS(=O)(=O)C[C@@H]1N1CCN([C@H](C#N)C(C)C)CC1 595397924 MSXCHLPXIHUGNT-HZSPNIEDSA-N 315.439 -0.036 30 20 DBED COC(=O)[C@@](C)(CO)NC[C@H](O)COc1ccccc1C#N 599438851 YXYOHGFYFZXQRE-SWLSCSKDSA-N 308.334 -0.188 30 20 DBED CCn1ccc(CNC(=O)C(=O)N2CCN(CCC#N)CC2)n1 602276462 CYTBVKGATNULNP-UHFFFAOYSA-N 318.381 -0.423 30 20 DBED C=C[C@H](CO)NC(=O)[C@@H](C)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 620590548 ODSDFJRNTUOAEZ-ZKSVUJDCSA-N 308.334 -0.800 30 20 DBED C#CCNC(=O)COC(=O)Cc1csc(-c2nc[nH]n2)n1 732343184 OQZJLAGPFHWZOQ-UHFFFAOYSA-N 305.319 -0.237 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[C@@H](OC)C2)c1=O 751940894 OJZNETHSBRKPLM-GFCCVEGCSA-N 322.365 -0.778 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)OC[C@@H]2CCCOC2)C1=O 760769170 IMRFKKMWUUSPKB-SNVBAGLBSA-N 310.306 -0.067 30 20 DBED C#CCC[C@H](O)CNC(=O)[C@H](C(C)C)N1CCCS1(=O)=O 799075404 KGOGXVRAEHUJLE-STQMWFEESA-N 316.423 -0.063 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N(CCS(C)(=O)=O)C1CC1 800924670 AGRRINAJMMFXPL-SNVBAGLBSA-N 323.440 -0.026 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)[C@@H]1COCCN1CC(F)(F)F 801340759 NMNPSCJSROPGSU-UWVGGRQHSA-N 322.283 -0.069 30 20 DBED N#CCNC(=O)COC(=O)[C@H]1COCCN1CC(F)(F)F 801345721 KMBQPTJZPKFIHU-MRVPVSSYSA-N 309.244 -0.568 30 20 DBED CC(C)(C)OC(=O)C1=NO[C@H](C(=O)NCC(=O)NCC#N)C1 804821158 YASUZCKRPUUUFK-VIFPVBQESA-N 310.310 -0.771 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CC[C@](C)(C(=O)O)C1)[C@@H]1CCCO1 817111677 IEIWMTQWECUOLU-PGUXBMHVSA-N 308.334 -0.393 30 20 DBED CC(C)NC(=O)CN1CCN(C(=O)[C@](C)(C#N)CC(=O)O)CC1 820029492 CPVBKNQRKIDBMC-HNNXBMFYSA-N 324.381 -0.340 30 20 DBED C=CCn1cc(CNC(=O)NCCS(=O)(=O)NCC)nn1 823012377 VRKKKTOSSLCSQW-UHFFFAOYSA-N 316.387 -0.797 30 20 DBED Cn1cc(-c2nn[nH]n2)c(=O)n(Cc2ccnc(C#N)c2)c1=O 826356860 IRCMKWDKKZRXSP-UHFFFAOYSA-N 310.277 -0.958 30 20 DBED N#CCN(CC(=O)O)CC(=O)N1CCN(Cc2ccco2)CC1 833065496 AJDPKPPIGDNZCL-UHFFFAOYSA-N 320.349 -0.166 30 20 DBED C=CCN1C(=O)c2ccc(C(=O)NC[C@H](O)C(=O)O)cc2C1=O 833376939 GONBGDJSDNIEEA-NSHDSACASA-N 318.285 -0.356 30 20 DBED C#CC[C@H](CO)NC(=O)[C@H](O)[C@H](O)c1nc2ccccc2[nH]1 854541440 FWMOSDSSBNNKGA-JIMOISOXSA-N 303.318 -0.542 30 20 DBED C[C@H](O)C1(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 856130043 APKZZVZAUVLPOC-VIFPVBQESA-N 323.374 -0.245 30 20 DBED Cn1cc(N2C[C@@H](C(=O)[C@@H](C#N)C(=O)NC3CC3)CC2=O)cn1 860472828 FJQXOAVWCZJGES-JOYOIKCWSA-N 315.333 -0.240 30 20 DBED Cc1cc(C)nc(NN=Cc2c(N)n(C)c(=O)n(C)c2=O)n1 864890587 PCCNPNNQQHZWIA-UHFFFAOYSA-N 303.326 -0.481 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N[C@H]1CCc2n[nH]cc2C1 875082812 HPVCRNDXPTXHRF-OLZOCXBDSA-N 318.377 -0.072 30 20 DBED C#CCNC(=O)CN(CCN1CCOCC1)[C@@H]1CCSC1 878871734 OFLHMHPQXSMWRX-CQSZACIVSA-N 311.451 -0.125 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@]2(C)CCNC(=O)C2)CC1 906528303 XMESYDDAXLPPAX-MRXNPFEDSA-N 322.409 -0.651 30 20 DBED C=CCn1cccc1C(=O)N[C@H]1CCN(C(=O)CC(N)=O)C1 938130518 CRWYFCCWBUYRFE-NSHDSACASA-N 304.350 -0.120 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@H](CNC(=O)c2cnc(O)n2C)C1 944704981 UQRWXOPYBNPNNC-VHSXEESVSA-N 321.337 -0.757 30 20 DBED C#CCCN1CC[C@H](NC(=O)CN2CCN(C)C(=O)C2)C[C@H]1C 947463790 MDQCKMFGLPOUDU-CABCVRRESA-N 320.437 -0.247 30 20 DBED CC#CCN1CC[C@H](NC(=O)CN2C(=O)CNC2=O)C[C@@H]1C 948012938 RRZHTKMIKDDJRW-RYUDHWBXSA-N 306.366 -0.469 30 20 DBED C=CCN1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)C[C@@H]1C 948068999 AFQGBVBNLOGRKZ-QWRGUYRKSA-N 306.370 -0.468 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(NC(=O)[C@@H]2CCN(C)C2=O)CC1 948109355 DNOWSQZNHLEALV-JQWIXIFHSA-N 306.366 -0.268 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)[C@@H]1COCCO1)CCO2 949037912 HCMUMHCWFQUSRD-AWEZNQCLSA-N 308.378 -0.272 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)Cn1cncn1)CCO2 949241678 LKYGDMIHRSVDIW-UHFFFAOYSA-N 303.366 -0.395 30 20 DBED C[C@@H](C#N)C(=O)N1[C@H]2CCC[C@H]1CN(C(=O)Cn1ncnn1)C2 952720381 ZETABEUXAZMOLE-SRVKXCTJSA-N 317.353 -0.575 30 20 DBED CCN1CCOC[C@H]1C(=O)N(C)C1CN(C(=O)C#CC2CC2)C1 954684406 SZEWGTFCHPHKKW-HNNXBMFYSA-N 319.405 -0.210 30 20 DBED N#CCN1C[C@H](O)[C@H](CNC(=O)c2ccnn2CC(F)F)C1 958070121 WLAAIJNBAQUPOR-KOLCDFICSA-N 313.308 -0.306 30 20 DBED CC#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cnn3ncccc23)C1 958138296 FDUVCQZMMSGLMN-SWLSCSKDSA-N 313.361 -0.225 30 20 DBED C=CCN1C[C@H](CNC(=O)c2ccnc3c2CC(=O)N3)[C@@H](O)C1 958214902 OHORWBQBKGGYSE-GWCFXTLKSA-N 316.361 -0.215 30 20 DBED C[C@H](NC(=O)c1cc(C#N)c[nH]1)[C@H]1CCN(C(=O)C(N)=O)C1 959259065 ZGAQLTLXODOEDO-WPRPVWTQSA-N 303.322 -0.662 30 20 DBED CC#CCN1C[C@H]2[C@H](NC(=O)C[C@H]3CCS(=O)(=O)C3)[C@H]2C1 960894787 UTTZDGXKVXWHRO-CXTNEJHOSA-N 310.419 -0.119 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)Cc3cc[nH]n3)C[C@@H]2O)C1 970377845 RRHWGOQWZVBCDA-OLZOCXBDSA-N 318.377 -0.004 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H]2C[C@H](NC(=O)Cn3cncn3)C2)c1 973141652 MMNIIOFZKSOUJY-XYPYZODXSA-N 313.321 -0.445 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c1 973142221 LFEVPFYYRDXYHD-DNRKLUKYSA-N 317.305 -0.071 30 20 DBED N#CCN1C[C@H]2[C@H](CNC(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)[C@H]2C1 978518694 FRRZIPLSVOBINC-GXYBRJDSSA-N 305.378 -0.145 30 20 DBED CN(C[C@H]1CCN(C(=O)CC(N)=O)C1)C(=O)c1cc(C#N)c[nH]1 987844836 BWLGKOVVFXATDW-SNVBAGLBSA-N 317.349 -0.318 30 20 DBED Cc1nc(C(=O)N2C[C@H](NCC#N)C[C@@H]2C)nn1-c1nc[nH]n1 989275428 VEVBPSASARRVSI-WCBMZHEXSA-N 315.341 -0.590 30 20 DBED COC(=O)[C@@H]1C[C@@H]1C(=O)N1CC(NC(=O)c2cc(C#N)c[nH]2)C1 990695531 KTLXXFCKTOYFSV-WDEREUQCSA-N 316.317 -0.364 30 20 DBED CCn1nncc1C(=O)N1CC(NC(=O)c2ccc(C#N)[nH]2)C1 990889178 ZQLKBWKOUAGBLX-UHFFFAOYSA-N 313.321 -0.248 30 20 DBED Cn1ccc(C(=O)N[C@@H]2CCN(C(=O)C#CC3CC3)C[C@H]2O)n1 991498628 DDUOHPVDFBTXRW-TZMCWYRMSA-N 316.361 -0.475 30 20 DBED N#CCN1CC[C@]2(NC(=O)CN3C(=O)CCC3=O)CCC[C@H]12 992464132 KNWWLAHRHSHLRM-XHDPSFHLSA-N 304.350 -0.228 30 20 DBED CC#CCN1CCC[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)[C@H]1C 994370223 ZYSIMBPBSALMGO-CHWSQXEVSA-N 320.393 -0.127 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)cc1 997334184 IHOFZQQLHQULBM-KGLIPLIRSA-N 311.341 -0.270 30 20 DBED C#CCN1CCC(N(C)C(=O)[C@@H]2COCCN2C(C)=O)CC1 1006429835 SMGLGTMTBBDDAR-HNNXBMFYSA-N 307.394 -0.210 30 20 DBED C=C(C)CN1CCC[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 1009567010 WKEGEFPSZGLOAM-NEPJUHHUSA-N 301.412 -0.165 30 20 DBED C#Cc1ccc(C(=O)NC2CC(N(C)C(=O)C(N)=O)C2)nc1 1016948865 DVFAEKOTLVBLOO-UHFFFAOYSA-N 300.318 -0.733 30 20 DBED N#Cc1cc(C(=O)N2CC[C@H](N[C@H]3CCC(=O)NC3=O)C2)c[nH]1 1018739193 YTZHCDODIOVHGR-JQWIXIFHSA-N 315.333 -0.504 30 20 DBED C#Cc1cncc(C(=O)N2C[C@@H]3C[C@H]2CN3Cc2nc(O)n[nH]2)c1 1032617823 UVJNNKMRHSNAIS-STQMWFEESA-N 324.344 -0.015 30 20 DBED N#CCN1CC[C@H]2CN(C(=O)CC3CS(=O)(=O)C3)CC[C@H]21 1036753957 YOWNUCZBQZZLNS-QWHCGFSZSA-N 311.407 -0.133 30 20 DBED C=CCCN1C[C@H]2C[C@H]1[C@H]2NC(=O)CN1C(=O)CN(C)C1=O 1037711990 CWVNXBZZYCWXDA-SUNKGSAMSA-N 306.366 -0.355 30 20 DBED C#CCCCC(=O)NC[C@@]1(O)CCN(C(=O)c2cc[nH]n2)C1 1039573181 GKTKZNGXCVYJLH-HNNXBMFYSA-N 304.350 -0.094 30 20 DBED C#CCOCCC(=O)NC[C@]1(O)CCN(C(=O)[C@@H](C)C#N)C1 1039718668 FXSCPJOGBYFBJY-SWLSCSKDSA-N 307.350 -0.734 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)CCCCN(C)C)C1 1040429695 IVHSUCWAHBYSMV-BBRMVZONSA-N 324.425 -0.042 30 20 DBED C=CCCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)CCOC)C1 1041873204 AZZPLXPWDMAJMW-LBPRGKRZSA-N 314.382 -0.306 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)c2cccc(=O)n2C)C1 1041960548 QUKDRBAUVMSQRG-UHFFFAOYSA-N 319.361 -0.345 30 20 DBED C[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1NC(=O)[C@@H]1CNC(=O)N1 1042461775 ZGTOLYIWCBQGBY-JIMOISOXSA-N 314.349 -0.424 30 20 DBED C#CCNC(=O)CC(=O)N1CC(O)(CNC(=O)C[C@@H](C)CC)C1 1042787251 AWURMGAUVDTTAP-LBPRGKRZSA-N 323.393 -0.748 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)Cc2ccnn2C)C1 1042818208 LSOBCTPARUZKHV-UHFFFAOYSA-N 320.393 -0.136 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)COCC2CC2)C1 1042936781 POQMMJNQGWLKAR-UHFFFAOYSA-N 308.378 -0.238 30 20 DBED Cc1nc(C)c(C(=O)N2CC(O)(CNC(=O)C#CC3CC3)C2)[nH]1 1042963881 XUDLFKCTCGIPHM-UHFFFAOYSA-N 316.361 -0.257 30 20 DBED CC(C)(C)C#CC(=O)NCC1(O)CN(C(=O)Cn2ccnc2)C1 1042970270 ISQRTOYHSOANCF-UHFFFAOYSA-N 318.377 -0.378 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)C#CC(C)C)C1 1043040702 WKWFIXLRLKQTOG-CYBMUJFWSA-N 306.362 -0.626 30 20 DBED CC#CCCCC(=O)N1CC(O)(CNC(=O)[C@@]23COC[C@@H]2C3)C1 1043370497 IWZYMDONIUXPTA-GUYCJALGSA-N 320.389 -0.094 30 20 DBED CCOc1cc(C(=O)N2CC(O)(CNC(=O)[C@@H](C)C#N)C2)[nH]n1 1045554355 DCHFGTMEUHIFQH-VIFPVBQESA-N 321.337 -0.729 30 20 DBED C#CCN1[C@H]2CC[C@H]1CN(C(=O)CC[C@H]1NC(=O)NC1=O)CC2 1045887677 JXWVAVDCFKAXSB-RWMBFGLXSA-N 318.377 -0.327 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)[C@H]2C[C@@]23CCOC3)C1 1046583097 ALDDZZPNYQSMDA-CZUORRHYSA-N 320.389 -0.238 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@]1(C)CCN(Cc2nnnn2C)C1 1046631292 FCOKJGQOCPMEEO-TYNCELHUSA-N 320.397 -0.118 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCn3cncc3C2)C1 1047432939 OZNFFROGDISOAL-KBMXLJTQSA-N 316.405 -0.028 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(C(N)=O)c2)C1 1047433240 FUFVFFNSKAGPRE-GJZGRUSLSA-N 315.373 -0.074 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CN3CC4CC3(CO2)C4)C1 1047463788 SRGHYSXYJBXHJQ-AUUXXJPVSA-N 321.421 -0.461 30 20 DBED C#Cc1ccc(C(=O)N(C)[C@H]2CN([C@@H](C)C(N)=O)C[C@@H]2O)cc1 1047481163 XEVNTAKFWQELGZ-CQDKDKBSSA-N 315.373 -0.341 30 20 DBED C[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1CNCc1nnnn1C 1048253354 PDISUFHVZLPAGY-WCQYABFASA-N 302.382 -0.192 30 20 DBED C=CCCC(=O)N(C)[C@H]1CN(C(=O)c2nonc2C)C[C@@H]1O 1048539894 LQARGLSZNXYYJB-QWRGUYRKSA-N 308.338 -0.012 30 20 DBED C=C[C@](C)(O)CC(=O)N(C)[C@H]1CN(C(=O)c2cnon2)C[C@@H]1O 1048762231 PUFFZPQGTMRVBR-MJVIPROJSA-N 324.337 -0.960 30 20 DBED CC#CCN1C[C@H]2CN(C(=O)CN3CCCNC3=O)C[C@H]2C1 1048917583 LTBXPFCBEUSVRV-OKILXGFUSA-N 304.394 -0.185 30 20 DBED CC#CCN1C[C@H]2CN(C(=O)[C@H]3CCS(=O)(=O)N3)C[C@H]2C1 1049220075 HYNYNVNMCXVDMM-FRRDWIJNSA-N 311.407 -0.908 30 20 DBED CC(=O)N1CCC(C(=O)NC[C@@H]2COCCN2CC#N)CC1 1051238327 KVSTUHNHMAXCAN-CQSZACIVSA-N 308.382 -0.415 30 20 DBED C#CCCN1CCOC[C@@H]1CNC(=O)c1cccnc1C(N)=O 1051253503 RTOAJYCGTWTODE-LBPRGKRZSA-N 316.361 -0.366 30 20 DBED N#CCN1CC2(C1)CN(C(=O)c1ccc3nn[nH]c3n1)CCO2 1053280675 GURSYNBYVUZAKA-UHFFFAOYSA-N 313.321 -0.597 30 20 DBED N#CCN1CC2(C1)CN(C(=O)Cn1cc(C3CC3)nn1)CCO2 1053286865 GNGLWYTVZPIAMV-UHFFFAOYSA-N 316.365 -0.408 30 20 DBED C=CCCOCC(=O)NC[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(N)=O 1053839958 AZXWSAJEFRMQSH-CLLJXQQHSA-N 323.393 -0.050 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)[C@H]3CCNC(=O)CC3)CO2)C1 1053881439 JGMWTNSGJHKYBW-ZIAGYGMSSA-N 319.405 -0.115 30 20 DBED N#Cc1cncc(N2CCN(C(=O)CCn3cncn3)CC2)n1 1055729423 BQJAGQZYEWFBDR-UHFFFAOYSA-N 312.337 -0.321 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@](CO)(NC(=O)c2ncn(C)n2)C1 1055922160 FYAZRORGQFETOO-IINYFYTJSA-N 320.353 -0.942 30 20 DBED C[C@@H](C(=O)N1CCN(c2cnc(C#N)cn2)CC1)S(C)(=O)=O 1056072084 OJAMNASNDUHFKT-JTQLQIEISA-N 323.378 -0.570 30 20 DBED Cn1cnc(C(=O)NC2[C@H]3CN(c4ccnc(C#N)n4)C[C@H]23)n1 1056200793 GZRYDNGOZLRKNS-IUCAKERBSA-N 310.321 -0.659 30 20 DBED C=CCCOCC(=O)N1CCC[C@H]2[C@@H]1CCN2C(=O)C(N)=O 1056453513 WHHOTZSSNWVDSY-RYUDHWBXSA-N 309.366 -0.344 30 20 DBED C=CCC(C)(C)C(=O)NCCN(CCO)C(=O)CNC(N)=O 1056919313 OWJCPHUELWCGAJ-UHFFFAOYSA-N 314.386 -0.806 30 20 DBED CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)CSCC#N 1057058732 YDSWBQQYGMQMJT-NSHDSACASA-N 317.411 -0.395 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)[C@@H]1CCOC1 1057145624 FUXAHOOTZUDJHC-GFCCVEGCSA-N 300.355 -0.837 30 20 DBED N#Cc1ccc(N2CCCN(C(=O)Cn3ncnn3)CC2)nn1 1057182499 LUBLKQBGYJGKAZ-UHFFFAOYSA-N 313.325 -0.926 30 20 DBED C=C[C@](C)(O)CC(=O)NCCN(CCO)C(=O)c1ccn(C)c1 1057342591 IJADGROPHLYFAD-INIZCTEOSA-N 323.393 -0.097 30 20 DBED C=CCO[C@H](C)C(=O)N(CCO)CCNC(=O)c1ccon1 1057921731 OIHXRAPKUWAJJA-LLVKDONJSA-N 311.338 -0.184 30 20 DBED C=CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)c1cnccn1 1057922085 WQNGPIKGXBNKIN-LBPRGKRZSA-N 322.365 -0.382 30 20 DBED CN1CCO[C@@H](C(=O)N[C@H]2CCN(c3nccnc3C#N)C2)C1 1058317472 XFYIAKGOEFGHJS-WCQYABFASA-N 316.365 -0.626 30 20 DBED N#Cc1ccc(N2CC[C@H](NC(=O)[C@@H]3CCC(=O)NC3)C2)nn1 1058594097 IGFBGFPBYJYVTC-PWSUYJOCSA-N 314.349 -0.431 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)[C@@H](C)c1ccnn1C 1058660942 LMTXLYHMYXAWCH-RYUDHWBXSA-N 321.381 -0.380 30 20 DBED Cn1nncc1C(=O)N1CC[C@@H](CN=c2cc[nH]c(C#N)n2)C1 1060865344 PPAAFCNADUDWLB-JTQLQIEISA-N 312.337 -0.527 30 20 DBED N#CCSCC(=O)NC[C@@H]1COCCN1C(=O)c1cn[nH]c1 1061317882 LUOZYYISYSLVSG-LLVKDONJSA-N 323.378 -0.376 30 20 DBED C=CCCC(=O)NC[C@H]1COCCN1C(=O)c1c[nH]c(=O)cn1 1061412781 SKKIHSPMBHFHKJ-NSHDSACASA-N 320.349 -0.307 30 20 DBED Cn1cc(C(=O)N2C[C@@H]3C[C@H]2CN3c2nccnc2C#N)nn1 1062485791 ANPWQHXPLAKWQO-UWVGGRQHSA-N 310.321 -0.420 30 20 DBED O=C(C#CC1CC1)NCC1(NC(=O)[C@H]2CNC(=O)N2)CCC1 1062978941 FEKPNBGTKHSHFI-LLVKDONJSA-N 304.350 -0.764 30 20 DBED CCS(=O)(=O)CC(=O)NCC1(NC(=O)[C@H](C)C#N)CCC1 1063343816 PSYVPEQCKBPZEX-SNVBAGLBSA-N 315.395 -0.264 30 20 DBED CC(=O)NCC(=O)N1CCO[C@H](CNC(=O)C#CC(C)(C)C)C1 1064775354 MYWAWQWYOJSVAP-CYBMUJFWSA-N 323.393 -0.484 30 20 DBED N#Cc1cncc(NC[C@@H]2CCCN2C(=O)[C@H]2C[C@H]2C(N)=O)n1 1065012109 DYJMFFANVXYSNZ-TUAOUCFPSA-N 314.349 -0.127 30 20 DBED CCNC(=O)CC(=O)N1CCO[C@@H](CNC(=O)C#CC(C)C)C1 1065067139 KCFDUZYXHLQSPJ-ZDUSSCGKSA-N 323.393 -0.484 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCO[C@H](CNC(=O)c2ccon2)C1 1065151666 BDXGCQZPJALZFC-NWDGAFQWSA-N 321.333 -0.330 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CN(C(=O)c2cnnc(O)c2)CCO1 1065265040 DVPMAPYBRPZQQO-GXSJLCMTSA-N 319.321 -0.701 30 20 DBED CN(C(=O)[C@@H]1CCCO1)[C@H]1CN(c2nccnc2C#N)C[C@@H]1O 1065566528 PMPQOYHHOPUBLA-AVGNSLFASA-N 317.349 -0.465 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CCCN(C(=O)Cn2cnnc2O)CC1 1066474954 LROUCGFRAKWVMC-WDEREUQCSA-N 320.353 -0.359 30 20 DBED N#Cc1ccc(N2CCOC[C@H]2CNC(=O)c2cnn[nH]2)nc1 1066530619 KTXFGTLDUBCCRA-LLVKDONJSA-N 313.321 -0.293 30 20 DBED N#Cc1nccc(N2C[C@H]3CC[C@H]2CN3C(=O)Cc2nc[nH]n2)n1 1068050492 FAKCIKILQYWBDJ-WDEREUQCSA-N 324.348 -0.111 30 20 DBED C[C@H]1C[C@H](N=c2cc[nH]c(C#N)n2)CN1C(=O)c1ncn(C)n1 1069086831 MEPZYXWQUYQPQX-UWVGGRQHSA-N 312.337 -0.386 30 20 DBED CC#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H]2CCN(C)C2)C1 1070097167 FOWGOIDYIXPKPE-ZNMIVQPWSA-N 316.409 -0.405 30 20 DBED C#CCN[C@@H]1CN(C(=O)Cc2ccn(C)n2)C[C@@H]1n1ccnn1 1070193541 CUNRJKAGEOGNDG-KGLIPLIRSA-N 313.365 -0.771 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CCCO2)C1 1070393238 WGQOMJMQAGZBSI-OLZOCXBDSA-N 321.377 -0.588 30 20 DBED Cn1cnc([C@@H]2CN(C(=O)c3cncnc3)C[C@H]2NCC#N)c1 1070486458 PGRSUZZETRNYAK-GXTWGEPZSA-N 311.349 -0.069 30 20 DBED C#CCN[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1c1cncn1C 1070684454 HSZPWDICIMLHDS-VXGBXAGGSA-N 315.377 -0.797 30 20 DBED CN1CCO[C@H](C(=O)N2C[C@@H]3C[C@@H]4CN(CC#N)C[C@]3(C2)O4)C1 1070780465 VMUWXGZYHPZDSL-KNCOVGOOSA-N 320.393 -0.858 30 20 DBED C[C@@H]1CN(C(=O)Cn2nccn2)C[C@@]2(CCN(CC#N)C2)O1 1071173553 KAMXEMKWUPKTST-OCCSQVGLSA-N 304.354 -0.507 30 20 DBED C#CCN1CCN([C@H]2CCCN(C(=O)c3ncc[nH]3)C2)C(=O)C1 1071262714 QXBWURXMQVSYRN-ZDUSSCGKSA-N 315.377 -0.208 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(C(=O)CC(=O)NC)C[C@H]1C 1071976250 YRSWBKPHRBMTRM-VXGBXAGGSA-N 309.366 -0.875 30 20 DBED C=CCCOCC(=O)N1C[C@H](C)[C@H](NC(=O)Cn2ncnn2)C1 1072335333 CNLDMXYYSAAUHB-NWDGAFQWSA-N 322.369 -0.771 30 20 DBED C#CCN1CCC2(C1)CN(C(=O)CN1CCC(=O)NC1=O)C2 1073108886 NASPGBDHLDNMRB-UHFFFAOYSA-N 304.350 -0.904 30 20 DBED C[C@H](C#N)C(=O)NC1(C)CCN(C(=O)CCn2cnnn2)CC1 1073214514 KNTOCMNFXWOEFM-LLVKDONJSA-N 319.369 -0.280 30 20 DBED CCn1nnc(C)c1C(=O)NC[C@H]1CN(CC#N)CCCO1 1073631278 PHUKJLVRASFBKA-LBPRGKRZSA-N 306.370 -0.049 30 20 DBED C#CCCN1CCCO[C@@H](CNC(=O)c2cc(=O)n(C)cn2)C1 1073642382 LTNOFXFYRZYQGF-ZDUSSCGKSA-N 318.377 -0.376 30 20 DBED C[C@@H]1CN(C(=O)c2nnn(C)n2)CC[C@@H]1NC(=O)C#CC1CC1 1073955495 WRGWFEZZUONQEA-PWSUYJOCSA-N 316.365 -0.410 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(O)(CNC(=O)[C@H](C)CC(N)=O)CC1 1074706962 SDSBBJHCZOHTPC-MNOVXSKESA-N 324.381 -0.873 30 20 DBED C=CCOCC(=O)N[C@@H](C)CCNC(=O)c1nccnc1N 1075973462 QGYZAMDVNGZJMR-JTQLQIEISA-N 307.354 -0.114 30 20 DBED C#CCCN1C[C@@H]2CCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)[C@@H]2C1 1076299158 OVWBVBGPIMODHP-SDDRHHMPSA-N 304.350 -0.860 30 20 DBED C[C@@H](CCNC(=O)c1cc(=O)n(C)cn1)NC(=O)C#CC1CC1 1077129281 BYAAISFDQUDCLV-NSHDSACASA-N 316.361 -0.182 30 20 DBED C[C@@H](CCNC(=O)[C@@H](C)C#N)NC(=O)c1cccn2nnnc12 1078135987 AWWLBFQJMOAWGH-UWVGGRQHSA-N 315.337 -0.091 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCCN2C(=O)CCC)C1 1078219714 KMXOBJCTBQOVKB-QLFBSQMISA-N 321.421 -0.038 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H](C)CCNC(=O)CCc1cnn[nH]1 1078527882 FUPLUMBDJZIPLJ-RYUDHWBXSA-N 321.381 -0.213 30 20 DBED N#CCN[C@H]1C[C@@H](NC(=O)CN2C(=O)CCC2=O)C12CCC2 1078804383 UYEBEUSOCKKMJA-WDEREUQCSA-N 304.350 -0.324 30 20 DBED C#CCN[C@H]1C[C@H]2CC[C@H]1N(C(=O)CN1CC(=O)NC1=O)C2 1079064579 QMFAMOVHHGVZHC-GRYCIOLGSA-N 304.350 -0.860 30 20 DBED C#CCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)Cc2nc[nH]n2)C1 1079776347 FXNKIIYGAALGCB-NSHDSACASA-N 319.365 -0.555 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=COCCO2)C1 1081218829 ZAJIAGHHVRAGMQ-NWDGAFQWSA-N 310.350 -0.224 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C#CC2CC2)C1 1081470718 DYKXUPVWLULGRW-LSDHHAIUSA-N 302.374 -0.005 30 20 DBED C#CCOCCC(=O)N1C[C@H](O)[C@H](CNC(=O)CCCF)C1 1081662799 FIYVZQWJJQHGHN-OLZOCXBDSA-N 314.357 -0.289 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2c[nH]c(=O)cn2)C1 1081698693 VFCPWPKWQOEXEA-CMPLNLGQSA-N 320.349 -0.715 30 20 DBED CC#CCN1C[C@@H](NC(=O)c2ccn(CCOC)n2)[C@H](OC)C1 1081929354 KWIRDNMLOGJMOC-HUUCEWRRSA-N 320.393 -0.018 30 20 DBED C#CCCN1C[C@@H](NC(=O)C(=O)N2CC[C@H](C)C2)[C@H](OC)C1 1082313875 WCMRFADJRFZDDR-BFHYXJOUSA-N 307.394 -0.307 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2cc3c(cn2)OCCO3)C1 1083532843 KWIWPHHEIBDWFU-NEPJUHHUSA-N 303.318 -0.739 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)CCn3cnccc3=O)[C@@H]2C1 1084743963 NUJDJZNJWJNFKC-ZIAGYGMSSA-N 300.362 -0.201 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)C3CCN(C(N)=O)CC3)[C@@H]2C1 1084821228 MVKPLPQBDWKIRX-ZIAGYGMSSA-N 304.394 -0.057 30 20 DBED CC#CCN1CC[C@@H]2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@@H]21 1085031130 JCZMAUCCEHATRA-CBBWQLFWSA-N 319.405 -0.035 30 20 DBED CC#CCN1CC[C@@H]1CN(C)C(=O)[C@H]1CN(C(C)=O)CCO1 1085952424 BOHSOBKMHDQQNA-HUUCEWRRSA-N 307.394 -0.210 30 20 DBED C=CCN1CC[C@@H](NC(=O)c2nnn(C(C)(C)C)n2)[C@H](O)C1 1090278439 DPLXLJOIEFISDJ-GHMZBOCLSA-N 308.386 -0.221 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2cnn3c2OCCC3)[C@@H](O)C1 1090398117 VRAYKRUQNSNHNY-KBPBESRZSA-N 318.377 -0.146 30 20 DBED Cc1cc(C#N)nc(N2C[C@@H](O)[C@H](NC(=O)[C@@H](C)C#N)C2)n1 1090404582 QGXHUPFRZHIHDB-XXILOJSOSA-N 300.322 -0.518 30 20 DBED NC(=O)C(=O)N[C@@H]1CCN(CC#Cc2ccc(F)cc2)C[C@H]1O 1090531054 IBCAAGOZZGHGBE-ZIAGYGMSSA-N 319.336 -0.786 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2ccnc(N(C)C)c2)[C@H](O)C1 1090617324 UEOUNRYYWBOJFW-ZIAGYGMSSA-N 302.378 -0.054 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1091153301 ZVVZFVSQIFXVRC-RTXFEEFZSA-N 315.333 -0.948 30 20 DBED N#Cc1nccc(N2CC[C@@H](NC(=O)C#CC3CC3)[C@@H](O)C2)n1 1092152084 QEEMXUAQCZEIDT-OLZOCXBDSA-N 311.345 -0.183 30 20 DBED C=CCOCC(=O)NC1[C@H]2CN(c3ccc4nnnn4n3)C[C@H]12 1093220579 CNRYEQJIDDSLKP-UWVGGRQHSA-N 315.337 -0.727 30 20 DBED N#Cc1cncc(NCCNC(=O)c2ccn3nnnc3c2)n1 1094032954 ZFLGWJYPGQROBU-UHFFFAOYSA-N 309.293 -0.372 30 20 DBED N#Cc1ccc(NCCNC(=O)[C@H]2CCCCC(=O)N2)nn1 1094113634 YJRVYYINZFFNFW-LLVKDONJSA-N 302.338 -0.065 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)C34CCN(CC3)C4)CC2=O)C1 1094805926 CRQLTOIPWCNDRD-ZDUSSCGKSA-N 316.405 -0.883 30 20 DBED C[C@H](NC(N)=O)C(=O)N1CCC(Nc2nccnc2C#N)CC1 1095225595 ZZVMGBKDFJVOMZ-VIFPVBQESA-N 317.353 -0.192 30 20 DBED CCN(CCCNC(=O)[C@H]1COC(=O)N1)c1nccnc1C#N 1095871058 VURHJHWIDZOHSY-LLVKDONJSA-N 318.337 -0.211 30 20 DBED C[C@H](NC(N)=O)C(=O)N[C@@H]1CCN(c2ccc(C#N)nn2)C1 1096355703 MLVBMWJTNAMJOI-WCBMZHEXSA-N 303.326 -0.900 30 20 DBED CC[C@H](NC(C)=O)C(=O)N[C@@H]1CCN(c2cncc(C#N)n2)C1 1096485646 LFWAIJLWAIBIDY-YPMHNXCESA-N 316.365 -0.042 30 20 DBED N#Cc1c[nH]ccc1=N[C@H](CNC(=O)[C@H]1CCC(=O)N1)C1CC1 1096599516 ZLIMKWUDFGAEJD-ZIAGYGMSSA-N 313.361 -0.040 30 20 DBED C[C@H](CC(=O)N1CC[C@H](Nc2ccc(C#N)nn2)C1)NC(N)=O 1096961231 RZXOABXNXHBFLU-KOLCDFICSA-N 317.353 -0.192 30 20 DBED N#CCN(CCO)C1CCN(C(=O)CN2CCCCC2=O)CC1 1098418978 UCSZZMFULROUMZ-UHFFFAOYSA-N 322.409 -0.192 30 20 DBED C=CCN(CCO)C1CCN(C(=O)C2(C(=O)NC)CC2)CC1 1098500171 PYCUNZFVUPQMBM-UHFFFAOYSA-N 309.410 -0.016 30 20 DBED CC(=O)NCC(=O)N1CCC[C@@H](N(C)c2ccc(C#N)nn2)C1 1098668378 YCWXIDPESIXVSK-CYBMUJFWSA-N 316.365 -0.088 30 20 DBED C#CCNCc1cn([C@H]2CCN(C(=O)CCCC(N)=O)C2)nn1 1098789941 KZLXFGUJEHMKKW-ZDUSSCGKSA-N 318.381 -0.570 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2cncnc2C)[C@@H](O)C1 1099701830 KEDYZTCHIJWKCX-GJZGRUSLSA-N 318.377 -0.400 30 20 DBED CC#CCN1CC[C@H](NC(=O)CN(C)C(=O)C2CC2)[C@H](O)C1 1099864932 VUZLLVDJYKJNQO-UONOGXRCSA-N 307.394 -0.571 30 20 DBED C#CCN1CC[C@@H](NC(=O)CCc2c(C)ncnc2O)[C@@H](O)C1 1099904222 RWYNLOLMWAHNLD-KGLIPLIRSA-N 318.377 -0.392 30 20 DBED CCC1(C(=O)N[C@@H]2CCN(CC(=O)NCC#N)C[C@H]2O)CCC1 1099963976 DOJTZLWTZMPKMX-CHWSQXEVSA-N 322.409 -0.242 30 20 DBED COc1nn(C)cc1C(=O)NCCN(C)c1cnc(C#N)cn1 1100278705 KLVKRBBHUDNPLJ-UHFFFAOYSA-N 315.337 -0.043 30 20 DBED CN(CCNC(=O)c1cccc(=O)n1C)c1cnc(C#N)cn1 1100318785 FJUGDHNOAFANRF-UHFFFAOYSA-N 312.333 -0.087 30 20 DBED CCC(=O)N[C@@H](C)C(=O)NCCN(C)c1ccnc(C#N)n1 1100377252 SAECSNZRAYRQKR-JTQLQIEISA-N 304.354 -0.185 30 20 DBED CCN1C[C@@H](C(=O)NCCN(C)c2ccc(C#N)nn2)CC1=O 1100383729 LQWKDZDIXLCUEU-NSHDSACASA-N 316.365 -0.231 30 20 DBED CN1CC[C@H](C(=O)NCCN(C)c2cnc(C#N)cn2)CC1=O 1100398593 OHKKTJDXLATDDB-NSHDSACASA-N 316.365 -0.231 30 20 DBED CCN(CCNC(=O)[C@H]1COC(=O)N1)c1ccc(C#N)nn1 1100511461 ZUASBKWBLKLPCF-SNVBAGLBSA-N 304.310 -0.601 30 20 DBED CCN(CCNC(=O)C[C@H](C)NC(N)=O)c1cncc(C#N)n1 1100621462 CESPPOVFHQWZJT-JTQLQIEISA-N 319.369 -0.262 30 20 DBED CNC(=O)NCC(=O)NC[C@@H]1CCCN1c1nccnc1C#N 1100915076 JXMWCVDXJYHVQP-JTQLQIEISA-N 317.353 -0.638 30 20 DBED N#CCNC(=O)CNC1CC(CNC(=O)Cc2ccc[nH]2)C1 1101009555 VNCUQQIFAWCPQN-UHFFFAOYSA-N 303.366 -0.319 30 20 DBED CCOCCC(=O)N1C[C@H]2CN(CC(=O)NCC#N)C[C@@]2(C)C1 1101168623 NHWWYPQPADTMOF-CJNGLKHVSA-N 322.409 -0.167 30 20 DBED CC(=O)N(C)CC(=O)NCCN(c1ccc(C#N)nn1)C1CC1 1101299505 DCRICHOUKRVNDS-UHFFFAOYSA-N 316.365 -0.088 30 20 DBED CCC(=O)NCC(=O)NCCN(c1cncc(C#N)n1)C1CC1 1101305203 HRQYIPJKQBQNAT-UHFFFAOYSA-N 316.365 -0.041 30 20 DBED C=C(C)CN1C[C@@H]2CN(C(=O)CS(=O)(=O)NC)C[C@]2(C)C1 1101465625 QVYAOXDGFZVARO-OCCSQVGLSA-N 315.439 -0.108 30 20 DBED COCCOCC(=O)N[C@@H]1CC2(CN(CC#N)C2)n2ccnc21 1101620636 PDYHFXBZFRURLX-GFCCVEGCSA-N 319.365 -0.358 30 20 DBED COC[C@H](OC)C(=O)N[C@H]1CC2(CN(CC#N)C2)n2ccnc21 1101641759 ZGQWQIWAFFBYIU-RYUDHWBXSA-N 319.365 -0.360 30 20 DBED C#CCN1C[C@@H](C)[C@H](CNC(=O)Cn2nc(C)ccc2=O)C1 1102523867 OYUYOSWADOONBI-TZMCWYRMSA-N 302.378 -0.131 30 20 DBED N#Cc1cncc(N2CCC[C@@H](CCNC(=O)CC(N)=O)C2)n1 1102905894 OKQFMSYBMPEDKW-NSHDSACASA-N 316.365 -0.054 30 20 DBED CC[C@H](CNC(=O)[C@H]1CCC(=O)N1)Nc1nccnc1C#N 1102991891 DEJYKWOUDRODAO-NXEZZACHSA-N 302.338 -0.066 30 20 DBED CC[C@H](CNC(=O)[C@H]1CCNC1=O)N=c1cc[nH]c(C#N)n1 1103259641 PGPVUHLAWWVYDH-ZJUUUORDSA-N 302.338 -0.787 30 20 DBED C#CCN1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 1103431845 ZVWUNHZKLCSXNQ-YIYPIFLZSA-N 307.394 -0.273 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H](C)CNc1nccc(OC)n1 1103956333 OPBXFHYRVHTKIT-NSHDSACASA-N 319.365 -0.211 30 20 DBED C[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1CCNCC(=O)NC(N)=O 1104004835 MPNVZRUDIZICLY-GMTAPVOTSA-N 309.370 -0.585 30 20 DBED C[C@H](CNC(=O)[C@@H]1CNC(=O)N1)CNc1ccc(C#N)nc1 1104184103 VNIFAYODGLVFHU-CABZTGNLSA-N 302.338 -0.201 30 20 DBED C[C@@H](CNC(=O)[C@H]1CNC(=O)N1)CNc1ncccc1C#N 1104184371 XNJWCAKWXASPRI-MWLCHTKSSA-N 302.338 -0.201 30 20 DBED C[C@H](CNc1cnc(C#N)cn1)N(C)C(=O)[C@@H]1CCNC1=O 1104763123 BCWQLWUJDMLDJI-MWLCHTKSSA-N 302.338 -0.257 30 20 DBED C=CCNCc1cn(C2CN(C(=O)c3ncn(C)n3)C2)nn1 1105227284 DQYJEUBGPHBBFK-UHFFFAOYSA-N 302.342 -0.621 30 20 DBED CC(C)[C@@H](CNC(=O)c1cnn[nH]1)N=c1cc[nH]c(C#N)n1 1105304690 CAPGEIXLIMMGOB-SECBINFHSA-N 300.326 -0.245 30 20 DBED COCC[C@@H](C)C(=O)N1CC(n2cc(CNCC#N)nn2)C1 1105375703 LMMRUXOGYTXTHG-LLVKDONJSA-N 306.370 -0.053 30 20 DBED CN(CCN(C)c1ccnc(C#N)n1)C(=O)CCn1cnnn1 1105446666 YNBYUNAIHFFMEP-UHFFFAOYSA-N 315.341 -0.680 30 20 DBED CCN(CC)CC(=O)NC[C@@H](O)CNc1cnc(C#N)cn1 1105869457 SSCLHBXNFKEBFH-LBPRGKRZSA-N 306.370 -0.421 30 20 DBED CN1CC[C@@H](CC(=O)NC[C@H](O)CNc2nccnc2C#N)C1 1105914331 UIOQFLSUASQCRA-RYUDHWBXSA-N 318.381 -0.421 30 20 DBED Cc1nc(C)c(C(=O)NC[C@H](O)CNc2cnc(C#N)cn2)[nH]1 1106110335 NQWDLGFYHQGBSE-LLVKDONJSA-N 315.337 -0.109 30 20 DBED C[C@H](CCNc1cnc(C#N)cn1)NC(=O)C1CS(=O)(=O)C1 1106458447 DKRLLYGVELIWEB-SECBINFHSA-N 323.378 -0.300 30 20 DBED C=CCOCCNC[C@@H]1CN(C(=O)CCNC(N)=O)C[C@H]1C 1106966253 JQHRJHCICHEALX-CHWSQXEVSA-N 312.414 -0.069 30 20 DBED CNC(=O)NCC(=O)NC/C=C/CNc1ccc(C#N)cn1 1107571217 ALHGYSQNRGQBEP-NSCUHMNNSA-N 302.338 -0.033 30 20 DBED Cc1nc(NC[C@@H](C)NC(=O)Cn2cnnn2)ccc1C#N 1107635477 JPAYDHQDFRGMSA-SECBINFHSA-N 300.326 -0.135 30 20 DBED CC(=O)N1CC(C(=O)N[C@H](C)CN(C)c2ccc(C#N)nn2)C1 1108917579 IKPNWXNBTYWQME-SNVBAGLBSA-N 316.365 -0.233 30 20 DBED CNC(=O)C1(C(=O)N[C@@H](C)CN(C)c2nccnc2C#N)CC1 1109018669 QSXPGOPBRPEMOK-JTQLQIEISA-N 316.365 -0.185 30 20 DBED N#Cc1nccc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)CCn2ccnn2)n1 1109697486 JPENLEQZRQMYSU-ZETOZRRWSA-N 324.348 -0.277 30 20 DBED COC[C@H](O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CSCC#N 1110300498 AWNWSMJHIXBDHD-LPWJVIDDSA-N 313.423 -0.028 30 20 DBED CC[C@@H](OC)C(=O)NC[C@@]1(O)CCN(c2cnc(C#N)cn2)C1 1111044534 ZTRUXXLACWHNTC-DOMZBBRYSA-N 319.365 -0.169 30 20 DBED CO[C@@H](C)CC(=O)NC[C@]1(O)CCN(c2cnc(C#N)cn2)C1 1111045466 LLXPPMIERVDVFF-XHDPSFHLSA-N 319.365 -0.169 30 20 DBED N#Cc1c[nH]ccc1=NCCN(CCO)C(=O)c1cnns1 1111425634 QXMFZFTYYURYLE-UHFFFAOYSA-N 318.362 -0.227 30 20 DBED N#CCNC[C@]12CCC[C@H]1CN(C(=O)CN1C(=O)CNC1=O)C2 1112574836 CRPWCBWUOOIYCL-NHYWBVRUSA-N 319.365 -0.720 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)c2cnn(C)c2C)CC1 1112612006 QUAKJWQESJQYOI-ZDUSSCGKSA-N 317.393 -0.376 30 20 DBED Cc1ccnc(N2C[C@H](CNC(=O)CSCC#N)[C@@H](O)C2)n1 1112725886 QKVIAHBEZARPOB-RYUDHWBXSA-N 321.406 -0.045 30 20 DBED Cc1ccncc1CC(=O)N1CCN(CC(=O)NCC#N)CC1 1112977064 KYYJGETYIXJYGX-UHFFFAOYSA-N 315.377 -0.284 30 20 DBED C[C@@H](NC(=O)Cn1cnnc1O)[C@@H](C)Nc1cnc(C#N)cn1 1112978011 JCKUGSKRARXGFO-RKDXNWHRSA-N 316.325 -0.349 30 20 DBED C[C@@H](N=c1cc[nH]c(C#N)n1)[C@@H](C)NC(=O)c1cn(C)nn1 1113002266 UJRQEDPRSGHXCG-RKDXNWHRSA-N 300.326 -0.482 30 20 DBED C[C@H](N=c1cc[nH]c(C#N)n1)[C@@H](C)NC(=O)c1cnnn1C 1113023286 FYYAOELYKIFLMN-DTWKUNHWSA-N 300.326 -0.482 30 20 DBED C=CCCCN1C[C@@H]2C(NC(=O)CNC(=O)CNC(C)=O)[C@H]2C1 1114481154 WGJYYCNLEGXTSA-STQMWFEESA-N 322.409 -0.749 30 20 DBED CC(=O)NCC(=O)NCC1[C@@H]2CN(c3ncccc3C#N)C[C@@H]12 1114504059 ZUBLYOXGCNPUQN-KBPBESRZSA-N 313.361 -0.112 30 20 DBED C=CCCS(=O)(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 1116289174 RMAUTKDGVMDSBY-JTQLQIEISA-N 324.424 -0.825 30 20 DBED Cn1cc(CC(=O)NC[C@@H](CO)Nc2ccc(C#N)cn2)cn1 1121190828 MTBQJABBGUIZMM-ZDUSSCGKSA-N 314.349 -0.182 30 20 DBED Cc1nc(CC(=O)NC[C@@H](CO)Nc2ccc(C#N)nc2)n[nH]1 1121446513 MHYSHCHTHJCYGU-LBPRGKRZSA-N 315.337 -0.489 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)[C@@H]2CCC(=O)N2)nc1 1121818884 ONMFZGKZVULCDU-MNOVXSKESA-N 303.322 -0.879 30 20 DBED CC(C)[C@H](C(=O)NC[C@@H](CO)N=c1cc[nH]cc1C#N)N(C)C 1121841161 YJLLCSIFWWBREN-DZGCQCFKSA-N 319.409 -0.150 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H](CO)CNC(=O)c1n[nH]cc1F 1122493604 FXTUCPJLQLVVCH-SECBINFHSA-N 304.285 -0.560 30 20 DBED C[C@@H]1OCCO[C@@H]1C(=O)NC[C@H](CO)Nc1ncccc1C#N 1122776645 YXIOJDAYJNTCRG-UHTWSYAYSA-N 320.349 -0.354 30 20 DBED CC(=O)NCC(=O)N(C)C[C@@H](O)CNc1nc(C)ccc1C#N 1124087164 ZUNHZAXUHHAFOT-ZDUSSCGKSA-N 319.365 -0.371 30 20 DBED CN(C[C@H](O)CNc1ccc(C#N)nc1)C(=O)C(C)(C)C(N)=O 1124553841 BTMFBNQTKUPSRQ-GFCCVEGCSA-N 319.365 -0.304 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)[C@H]2CCNC(=O)C2)C1=O 1125631111 SPFVDYSXBVPWGI-NWDGAFQWSA-N 308.382 -0.995 30 20 DBED CC(=O)NCC(=O)N[C@H](CN=c1cc[nH]c(C#N)n1)C(C)(C)C 1125746181 ZUBQLONUVSZTJE-LLVKDONJSA-N 318.381 -0.151 30 20 DBED C#CCNC(=O)CC(=O)NCCN[C@H](C)c1nc(COC)no1 1125981874 MRRCDQLVAJWDPD-SNVBAGLBSA-N 323.353 -0.878 30 20 DBED COCCC(=O)NCCN(CCOC)c1cnc(C#N)cn1 1126159308 YYBXEHVOVAZERD-UHFFFAOYSA-N 307.354 -0.046 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)Cc2ccn(C)n2)C1=O 1126971428 BYIAZEDBYHGTDY-CYBMUJFWSA-N 305.382 -0.545 30 20 DBED C=CCCC(=O)N[C@@H]1CN([C@H](C)C(=O)NC)C[C@@H]1n1ccnn1 1128820560 AZVBHTMQIMDSQH-UPJWGTAASA-N 320.397 -0.280 30 20 DBED CC(C)C#CC(=O)N1C[C@H](n2ccnn2)[C@H](N[C@@H](C)C(N)=O)C1 1129822242 LYUOXZRBNVBIJN-XQQFMLRXSA-N 318.381 -0.847 30 20 DBED C#CCCN[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1c1cncn1C 1130946238 NAUKQEKEGORHCO-VXGBXAGGSA-N 303.366 -0.797 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)c1ccc(C(N)=O)o1 1131107171 KIZMTFDZNSXOSM-VIFPVBQESA-N 308.338 -0.611 30 20 DBED COCC#CCN1C[C@@H](NC(=O)CS(C)(=O)=O)CC[C@@H]1C 1131870236 GDIDJAFAURGDPT-STQMWFEESA-N 316.423 -0.350 30 20 DBED C=CCN1C[C@H](NC(=O)CNC(=O)CNC(C)=O)CC[C@@H]1C 1132139819 BXLHTIDRRQXKHP-WCQYABFASA-N 310.398 -0.606 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)CN2CCNC(=O)C2)CC[C@H]1C 1133032346 YRUQGYLDNVKMIV-HUUCEWRRSA-N 320.437 -0.484 30 20 DBED NC(=O)[C@@H]1CC[C@H](C(=O)NCCNCC#Cc2ccccc2)O1 1133774152 RMUWRNZMNGDWFG-LSDHHAIUSA-N 315.373 -0.223 30 20 DBED Cc1[nH]nc(C(=O)N[C@@H](C)C[C@H](C)NCC(=O)NCC#N)c1O 1134094540 FYSLLQLMTVVOPA-IUCAKERBSA-N 322.369 -0.450 30 20 DBED COCC#CCN[C@H](C)C[C@@H](C)NC(=O)c1cc(=O)n(C)cn1 1134667101 XYSZTPXOFWNONR-CHWSQXEVSA-N 320.393 -0.083 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC2(CN(C(=O)COCC)C2)C1 1146940367 OIVNNMUTDGAIGK-ZDUSSCGKSA-N 307.394 -0.305 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)C[C@@H](C)OC)C2 1147175778 WIMCMKAJFAOSAG-CYBMUJFWSA-N 307.394 -0.305 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)c1ccc(N(C)C)nn1 1148142042 CMYOFZWODWBWFO-NSHDSACASA-N 320.397 -0.447 30 20 DBED C#Cc1ccc(C(=O)NCCNC[C@@H](O)COCCOC)cn1 1148382751 DKXNIPXFPISDCV-OAHLLOKOSA-N 321.377 -0.594 30 20 DBED C=CCN1CCCO[C@@H](CNC(=O)COCc2nncn2C)C1 1150542037 WJOYDLCZSAQOQU-ZDUSSCGKSA-N 323.397 -0.275 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)CN1CCOCC1 1156777496 RMTOZBWDRAKHRR-ZDUSSCGKSA-N 312.414 -0.895 30 20 DBED N#CCNC(=O)CNCCCNC(=O)[C@H]1CCCc2nccn21 1159924538 LFSTTYSZIKMLGG-GFCCVEGCSA-N 318.381 -0.504 30 20 DBED CCc1cccc(C(=O)NCCCNCC(=O)NCC#N)n1 1160041437 DXSPKXJUTRZKFO-UHFFFAOYSA-N 303.366 -0.007 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCCNCCN1CCCC1=O 1160209160 AYWMKFKMJQFUGQ-HNNXBMFYSA-N 320.437 -0.198 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)COc1cnn(C)c1 1164687262 SQMLRPUUSMXBBR-GFCCVEGCSA-N 323.397 -0.415 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1cncnc1CC 1176233778 TUDYVFBVKKXUOB-UHFFFAOYSA-N 303.366 -0.502 30 20 DBED CC(C)(C)C(=O)N1CC[C@@H]2OCCN(CC(=O)NCC#N)[C@H]2C1 1177133254 ZFWFGDXDQXYJET-STQMWFEESA-N 322.409 -0.026 30 20 DBED N#CCNC[C@@H]1C[C@H]2CC[C@H]1N(C(=O)Cn1cnnc1O)C2 1177706405 XTVUIIZDBJROPN-GRYCIOLGSA-N 304.354 -0.276 30 20 DBED CC#CCN[C@H]1CCN(C(=O)CS(=O)(=O)N(C)C)[C@H]1C 1180037265 JYCFSMDCRALVOO-RYUDHWBXSA-N 301.412 -0.520 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)COc2cc(C)on2)C1 1183414808 SJESBNVVOIACMW-GFCCVEGCSA-N 320.349 -0.698 30 20 DBED CCCNC(=O)CCC(=O)N1CC[C@@H](NCC(=O)NCC#N)C1 1187194222 UMTALWNLXLULEJ-GFCCVEGCSA-N 323.397 -0.877 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@@H]1CCN(C(=O)Cn2cccn2)C1 1188864091 XZQCBMFYOPOIAQ-ZIAGYGMSSA-N 317.393 -0.446 30 20 DBED C=CCNC(=O)[C@H](C)N(C)[C@@H]1CCN(C(=O)CN(C)C(C)=O)C1 1188973797 JDAWSLMHBGGVEE-GXTWGEPZSA-N 324.425 -0.312 30 20 DBED C=CCCN(C)[C@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 1190247557 QNXIGMMPFKOPDH-NSHDSACASA-N 306.370 -0.514 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)CCOCC)C1 1191734454 ROXZOKPDVSSPMI-JHJVBQTASA-N 313.398 -0.735 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)C#CC(C)(C)C)C1 1192814214 YLGTZBVFMFBNDK-BFHYXJOUSA-N 321.421 -0.112 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)NC(=O)COC)C1 1193166899 OAJLAVPURCDZQD-JHJVBQTASA-N 313.398 -0.735 30 20 DBED C#CCCCCCC(=O)N[C@@H]1CN(C[C@@H](O)COC)C[C@H]1O 1195302063 YKLDBIYQNOVJIJ-RBSFLKMASA-N 312.410 -0.261 30 20 DBED C=CCNC(=O)[C@H](C)N1CCCN(C(=O)[C@H]2COC(=O)N2)CC1 1195717399 OLMJRTHSOBDLJM-NWDGAFQWSA-N 324.381 -0.680 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)CCCS(C)(=O)=O)C1 1196844360 CTUDQFOKSMEBDW-GHMZBOCLSA-N 324.830 -0.275 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(NCCNS(C)(=O)=O)CC1 1199815889 FSZONXTUJYIMJM-JTQLQIEISA-N 302.400 -0.724 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)c2cn(C)nc2C)CC1 1199834011 QEXKUWOLWHXIFF-UHFFFAOYSA-N 317.393 -0.328 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)c2cn(C)cn2)CC1 1200056644 CNALRLDJFMRYGA-UHFFFAOYSA-N 303.366 -0.636 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)CN2CCOCC2)CCCO1 1200290979 KRQFDEMLENBHOA-OAHLLOKOSA-N 309.410 -0.451 30 20 DBED C=C(C)CNC[C@@H]1CN(C(=O)Cn2cnnc2O)CCCO1 1200300150 OZUVIEYGXMQOLL-GFCCVEGCSA-N 309.370 -0.233 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCCO[C@H](CNCC#CCOC)C1 1200479256 PCWMTGBIJBBLNG-JKSUJKDBSA-N 322.405 -0.118 30 20 DBED CN(CC(=O)N1CCCO[C@@H](CNCC#N)C1)C(=O)C1CC1 1200642514 ZWQLTTUVGGNWFE-ZDUSSCGKSA-N 308.382 -0.415 30 20 DBED N#CCNC[C@H]1CN(C(=O)C[C@@H]2CCCC(=O)N2)CCCO1 1200931191 RENZOTCMAUJUJF-STQMWFEESA-N 308.382 -0.224 30 20 DBED C#CCNC[C@@H]1CN(C(=O)CS(=O)(=O)CCC)CCCO1 1202088490 UZHAXCWVRHHSCB-CYBMUJFWSA-N 316.423 -0.349 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)CCN(C)C)C1 1209444116 DFKDJZVQASBSIW-ZIAGYGMSSA-N 308.426 -0.343 30 20 DBED Cc1conc1C(=O)N1CCC[C@@H](NCC(=O)NCC#N)C1 1210492742 BZNNCXHVAZSTTD-LLVKDONJSA-N 305.338 -0.183 30 20 DBED CC(C)N(C)CC(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1211374600 KAIDDZFRSHSWAR-CHWSQXEVSA-N 309.414 -0.597 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)C=C(C)C)[C@H](OC)C1 1211795197 CKFMVIBQWGGYPW-MGPQQGTHSA-N 307.394 -0.094 30 20 DBED CO[C@@H]1CN(Cc2cncn2C)C[C@H]1NC(=O)CSCC#N 1211888680 JGYGYWDBZVSJIN-CHWSQXEVSA-N 323.422 -0.008 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)c2ncccn2)[C@H](OC)C1 1213602280 DEXNLYKYCWTMCU-VXGBXAGGSA-N 319.365 -0.792 30 20 DBED CCn1cnc(C(=O)N[C@@H]2CN(CC#CCOC)C[C@H]2OC)c1 1213728888 YBRCXZZLLOGMKV-UKRRQHHQSA-N 320.393 -0.018 30 20 DBED CC(=O)NCCOCCN[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C 1214580200 VWNKBUGPYYCPBQ-CZUORRHYSA-N 321.421 -0.011 30 20 DBED CC(C)NC(=O)CN1C[C@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 1219418415 ZVLGKXLJKYFHMS-OLZOCXBDSA-N 319.365 -0.814 30 20 DBED C=CCC[C@@H](C)N1C[C@H](O)[C@H](NC(=O)CN2CCCNC2=O)C1 1219939821 OWAQREJZWFURFN-MCIONIFRSA-N 324.425 -0.082 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)CCCN2C(=O)CNC2=O)C1 1220944289 GCKJRUIPUAIKIH-NEPJUHHUSA-N 324.381 -0.944 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC(NC(=O)c2[nH]nnc2C)CC1 1228560074 LNQBOPUFCLJIQQ-NSHDSACASA-N 318.381 -0.555 30 20 DBED C#CCNC(=O)CC(=O)N(C)C[C@@H]1CCN1CCOCC=C 1233808451 ANSVKHSPIKIKCW-AWEZNQCLSA-N 307.394 -0.139 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)CCCNC(=O)c1cnsn1 1234473460 JWPWNNXSQHXESG-SNVBAGLBSA-N 309.395 -0.272 30 20 DBED COc1ccc(OC)c(NC(=O)C(=O)NCC(=O)NCC#N)c1 1258172978 MLHHCVITGPYMRM-UHFFFAOYSA-N 320.305 -0.602 30 20 DBED CCOCCN(C)C(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1261849708 NFPCFPLETBMUHK-ZDUSSCGKSA-N 308.382 -0.320 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2C)C1 1282061004 VEBLFZXJCYVZLE-FVCCEPFGSA-N 305.378 -0.207 30 20 DBED N#CCCCOC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 1317812670 AGYONGBXNHUUBV-GHMZBOCLSA-N 314.363 -0.131 30 20 DBED C=CC[C@@H](NS(=O)(=O)N(C)CCC(=O)OC)C(=O)OCC 1320266093 RJYXTDHTWJBYHX-SNVBAGLBSA-N 322.383 -0.177 30 20 DBED C=C[C@@H]1CCCCN1C(=O)C(=O)NC[C@H]1CC[C@H](C(N)=O)O1 1324292033 BTJYJNHKECMPTA-IJLUTSLNSA-N 309.366 -0.297 30 20 DBED C=CC[C@@H](NC(=O)CN1C(=O)C(=O)N(C)C1=O)C(=O)OCC 1325352968 WUIMDEVZIYIWPQ-MRVPVSSYSA-N 311.294 -0.969 30 20 DBED C=CCCn1cc(C(=O)N2CCO[C@H](c3nn[nH]n3)C2)nn1 1325844627 ZJDNYWYBLBAYEX-JTQLQIEISA-N 304.314 -0.419 30 20 DBED COCCn1cc(NC(=O)C(=O)N2CC[C@](O)(CC#N)C2)cn1 1326048533 IRGJHXBOCWPMMB-CQSZACIVSA-N 321.337 -0.655 30 20 DBED CC(C)[C@@H]1CN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)CCO1 1329451816 DAUBCSKEDLEJKB-SWLSCSKDSA-N 309.366 -0.253 30 20 DBED COCCN1CCN(C(=O)C(=O)N2CCC[C@H](CC#N)C2)CC1 1329616328 WPQCXKSNJWTBLU-CQSZACIVSA-N 322.409 -0.071 30 20 DBED CC#CCN(C)C(=O)C(=O)N1CCC(N2CCN(C)CC2)CC1 1329925652 IJAXSBCIZFJULC-UHFFFAOYSA-N 320.437 -0.294 30 20 DBED C#CCN1CCC(C(=O)N[C@H](CO)Cc2cnn(C)c2)CC1 1332164593 CLPIUIOZOOILHO-HNNXBMFYSA-N 304.394 -0.215 30 20 DBED CNC(=O)[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H](C#N)C2)C1 1334963254 PZBCSCPQVSSVGZ-VXGBXAGGSA-N 306.366 -0.267 30 20 DBED C=CCn1cc(Cn2nnnc2N2CC[C@](O)(CC)C2)nn1 1337678346 CRXUGJONNOUFAG-CYBMUJFWSA-N 304.358 -0.150 30 20 DBED C=CCn1c(-c2nc[nH]n2)nnc1N1CCN2CCOC[C@@H]2C1 1339606724 LXEGLQKZXIBTHB-NSHDSACASA-N 316.369 -0.230 30 20 DBED Cc1nn(C)c(N2CCOCC2)c1C=NN1CC(=O)N(C)C1=O 1341539120 VSIRJLBZFVBEHJ-UHFFFAOYSA-N 320.353 -0.207 30 20 DBED C=CCS(=O)(=O)CCN1C(=O)N[C@H](CCC(=O)OC)C1=O 1343709377 AURVEZMHVQOUJC-SECBINFHSA-N 318.351 -0.539 30 20 DBED C=CCN1CC(=O)N(c2ccn(CCN3CCNC3=O)n2)C1=O 1353975451 VNEUEEALMWAEOA-UHFFFAOYSA-N 318.337 -0.137 30 20 DBED C=CCn1c(C2=NNC(=O)C2)nnc1N(CCOC)CCOC 1356038373 OBEDQLRFLUNKKV-UHFFFAOYSA-N 322.369 -0.213 30 20 DBED CCN(C(=O)Cn1cc(C#N)c(O)nc1=O)C1CCN(C)CC1 1362612883 SDOZIFGEMNXVSG-UHFFFAOYSA-N 319.365 -0.237 30 20 DBED CCC[C@H](C(=O)NCC1(C#N)CCOCC1)S(N)(=O)=O 1363698348 RZHQQKHTXHLGJQ-SNVBAGLBSA-N 303.384 -0.120 30 20 DBED N#Cc1cccc(CNC(=O)CN2CC[C@H](O)[C@@H](CO)C2)c1 1363816806 PWAYRYGVTKULFP-CABCVRRESA-N 303.362 -0.150 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NCC(=O)NC[C@H]2CCCO2)CC1 1367988459 DHBSJKYXIHGWJY-NWDGAFQWSA-N 308.382 -0.320 30 20 DBED C[C@@H](C#N)C(=O)NCC1CN(C(=O)[C@H]2CCCc3nn[nH]c32)C1 1387925579 QNBKBYKZCHXPRL-ONGXEEELSA-N 316.365 -0.041 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]1CNC(=O)CN(C)C(=O)C1CC1 1389660811 GRVQHBJJIWHDAY-CMPLNLGQSA-N 306.366 -0.268 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(Cc2noc(C3CC3)n2)C1 1393300797 GGXVOSKRMIWFPY-VIFPVBQESA-N 305.338 -0.230 30 20 DBED CNC(=O)NCC(=O)NCCN(C)C(=O)c1ccc(C#N)[nH]1 1408593153 YTEPQKCINKHUKO-UHFFFAOYSA-N 306.326 -0.996 30 20 DBED Cc1cc(C(=O)NC[C@]2(O)CCN(C(=O)[C@H](C)C#N)C2)ncn1 1411167927 IORDWMZWXYLXSC-MEBBXXQBSA-N 317.349 -0.362 30 20 DBED N#Cc1ccc(NCC(=O)N2CCO[C@@H](c3nn[nH]n3)C2)nc1 1412526537 LPCBCQDSGXZSEI-SNVBAGLBSA-N 314.309 -0.522 30 20 DBED N#Cc1ncn(CCNC(=O)NC[C@@H]2CCCN2CCCO)n1 1413817858 MWFALGVNVBNKBS-LBPRGKRZSA-N 321.385 -0.704 30 20 DBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nn1cnnc1 1417693397 LZHXXBPLJYGUKQ-SECBINFHSA-N 320.334 -0.413 30 20 DBED N#Cc1cn(CC(=O)N2CC[C@H]([C@H]3CCOC3)C2)c(=O)nc1O 1433833770 UCGBFWYGJHEPIT-QWRGUYRKSA-N 318.333 -0.294 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CNC(=O)CCn2cnnn2)CC1 1453834459 HBHWMTQLNYBTHE-NSHDSACASA-N 319.369 -0.422 30 20 DBED C[C@H](C#N)C(=O)NCCN(C(=O)[C@@H]1CCNC(=O)C1)C1CC1 1455936630 XAGCSHYIAXSDFP-GHMZBOCLSA-N 306.366 -0.221 30 20 DBED Cc1cc(=O)oc(C)c1C(=O)NC[C@@H](O)CNC(=O)[C@H](C)C#N 1458016781 DJQIKQCVJQJINC-KOLCDFICSA-N 321.333 -0.377 30 20 DBED C[C@H](C(=O)NC[C@@H]1CCCN(C(N)=O)C1)n1cnc(C#N)n1 1468660157 NZLHVUBGRLVEHX-ZJUUUORDSA-N 305.342 -0.382 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2ccoc2CC(N)=O)C1 1567895107 HWVDBRGBCIMTTJ-GFCCVEGCSA-N 319.361 -0.239 30 20 DBED C=C(C)C(C)(C)C(=O)N1CC(O)(CNC(=O)CNC(=O)O)C1 1573321742 RCCHRYKQMDJVMF-UHFFFAOYSA-N 313.354 -0.454 30 20 DBED CC#CC[C@H](N)C(=O)N[C@@H](C(=O)OCC)[C@H](O)c1cccnc1 1574962130 FZQMDHUKEAXAMU-BFHYXJOUSA-N 319.361 -0.096 30 20 DBED C[C@@]1(CNC(=O)C#CC2CC2)CN(CCc2cnn[nH]2)CCO1 1575972422 DCQRRXGSNTZXFW-MRXNPFEDSA-N 317.393 -0.032 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N1CCC[C@H]1CC(=O)O 1588390488 WCRHSDFSXVNHBK-RYUDHWBXSA-N 310.350 -0.003 30 20 DBED N#Cc1ncc(N2[C@H]3CC[C@H]2CC(=O)NC3)nc1-c1nn[nH]n1 1592708427 QRNBJCUTUANVLN-YUMQZZPRSA-N 311.309 -0.614 30 20 DBED Cc1ncc(S(=O)(=O)Nc2ncn(CC(=O)O)n2)cc1C#N 1594468595 MQFNWNXYZKJXPX-UHFFFAOYSA-N 322.306 -0.261 30 20 DBED O=C(CCN/C(O)=C1/N=CC=CC1=O)N[C@]1(C(=O)O)CCOC1 1594688599 SLQOZNAWDYOULB-XMXAVACDSA-N 323.305 -0.737 30 20 DBED O=C(NCCN/C(O)=C1\N=CC=CC1=O)NC[C@H](F)C(=O)O 1601503156 AKWOMYUCBPUECX-YLZOWGOUSA-N 314.273 -0.765 30 20 DBED C=CCOC[C@@H](NC(=O)[C@]1(C)CCCS1(=O)=O)C(=O)O 1602910423 YQRZGXJRCVDYCC-SKDRFNHKSA-N 305.352 -0.274 30 20 DBED COC(=O)[C@H]1CC[C@@H](C(=O)O)CN1S(=O)(=O)CCCC#N 1606387357 JDMMETYDXSADND-NXEZZACHSA-N 318.351 -0.042 30 20 DBED CC#CCN1CCN(CCNC(=O)[C@@H]2CCNC(=O)CC2)CC1 1752371553 XOCPRDLLOSYRHI-HNNXBMFYSA-N 320.437 -0.340 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@H](NC(=O)c2cc(OC)ncn2)C1 1752628399 DKYAQFBYRLYMST-XYPYZODXSA-N 317.349 -0.915 30 20 DBED COc1cc(C)cnc1C(=O)NC[C@H](C)NCC(=O)NCC#N 1752879343 WPQWDMBGKBDZFF-NSHDSACASA-N 319.365 -0.254 30 20 DBED C#CCO[C@H](C)C(=O)NC1CN([C@H]2CCN(CC=C)C2=O)C1 1753377766 LAUYJIASHIUEBG-OCCSQVGLSA-N 305.378 -0.388 30 20 DBED C=C[C@@H](CC)CC(=O)NC1CN(CC(=O)N2CCNC(=O)C2)C1 1753385637 ZYFAWGLUNBSQTK-LBPRGKRZSA-N 322.409 -0.653 30 20 DBED N#CCNC(=O)CN1CC(CNC(=O)[C@H]2C[C@H]3C=C[C@H]2O3)C1 1753405304 JDEMABFDZMVCTL-FRRDWIJNSA-N 304.350 -0.982 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H](CC)CNC(=O)C1=CCOCC1 1753474033 XGIIAJDQNKYUCQ-OCCSQVGLSA-N 307.394 -0.045 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@@H](C)N(C)C(=O)c1ncn(C)n1 1753689152 IAMTXVHNXJXLJR-MNOVXSKESA-N 306.370 -0.997 30 20 DBED C=CCNC(=O)CNC[C@H](C)N(C)C(=O)c1cnnc(O)c1 1753696772 FFFULMSHJGSGDO-JTQLQIEISA-N 307.354 -0.466 30 20 DBED C#CCNCC[C@@H]1CCCCN1C(=O)CN1CCC(=O)NC1=O 1753784985 DOVQGKDHNWQCTH-ZDUSSCGKSA-N 320.393 -0.078 30 20 DBED C#CCNC(=O)[C@H](C)N(C)CCN(C)C(=O)c1cnnn1CC 1753852572 SIWHVEQBXWXYHS-LBPRGKRZSA-N 320.397 -0.560 30 20 DBED C#CCNC[C@H](O)CNC(=O)c1cc([C@H]2CCCN2C)[nH]n1 1753920004 MHVGIKQZHFVZEZ-SMDDNHRTSA-N 305.382 -0.510 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCC1(NC[C@H](C)O)CCOCC1 1754737435 MKZOHRGSLCOBSX-GJZGRUSLSA-N 323.437 -0.280 30 20 DBED C#CCN1CC[C@](O)(CNC(=O)c2ccc3c(c2)nnn3C)C1 1754753025 WANSQYZKYBYKNK-INIZCTEOSA-N 313.361 -0.232 30 20 DBED Cn1ccnc1CN1CCOC[C@@H]1CNC(=O)CSCC#N 1754963354 FOEVUQWIZQMEOQ-LBPRGKRZSA-N 323.422 -0.006 30 20 DBED C#CCN1CC[C@@H](NC(=O)C[C@H](NC(C)=O)C(N)=O)C(C)(C)C1 1755142519 RQCHBYZKNHGGRI-QWHCGFSZSA-N 322.409 -0.784 30 20 DBED C#CCNC(=O)CN(C)[C@H](C)CNC(=O)c1ccc(OC)nn1 1755322887 CXRRTAMDEPDCPR-LLVKDONJSA-N 319.365 -0.715 30 20 DBED C#Cc1cncc(C(=O)NC2(CCO)CN(CCOC)C2)c1 1755336449 UHMGISXJALOOIW-UHFFFAOYSA-N 303.362 -0.124 30 20 DBED C=CCNC[C@H]1CC[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 1755742684 SYMFJJJTWJCJGL-NWDGAFQWSA-N 320.393 -0.242 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)[C@H](C)CNC(=O)Cc1cnc[nH]1 1756074176 WMPNLUVAOCQEAU-NEPJUHHUSA-N 306.366 -0.046 30 20 DBED C#CCCCC(=O)N[C@@H](CO)CNC(=O)c1cncnc1C 1756506694 VVRNMGBFDHWXDY-GFCCVEGCSA-N 304.350 -0.205 30 20 DBED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](C)O 1847261403 DGVOGMWKEHKUDB-PWDGOWMUSA-N 321.377 -0.573 30 20 DBED O=C(C#CC1CC1)N1CC[C@H]2[C@@H]1CCN2C(=O)COCCO 1847747850 OFVDJNFGSHPCDU-KBPBESRZSA-N 306.362 -0.390 30 20 DBED C#CCNC(=O)CN1CCCN(c2cc(Cl)nc(N)n2)CC1 74259624 GQCUJLOMEOZQJP-UHFFFAOYSA-N 322.800 -0.026 30 20 DBED CC(C)N(CCCNC(=O)CN(C)CC#N)S(C)(=O)=O 170777700 FBZVDAZOXCPBGE-UHFFFAOYSA-N 304.416 -0.382 30 20 DBED N#C[C@@H]1COCCN1C(=O)CCn1nc2ccccn2c1=O 173125239 PJXHYQXQPOAOJO-LLVKDONJSA-N 301.306 -0.363 30 20 DBED CC(C)[C@H](C#N)N1CCN(C(=O)CSc2nnnn2C)CC1 179936137 BYSZRLQEKMILBD-NSHDSACASA-N 323.426 -0.005 30 20 DBED C#CCOc1cccc(NC(=O)C(=O)N[C@@H](CO)COC)c1 280311942 BOEWUFLUAGEQNJ-LBPRGKRZSA-N 306.318 -0.239 30 20 DBED C#C[C@@H](NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)C(C)C 282287394 XBXPATXSDOAXAN-SNVBAGLBSA-N 317.349 -0.792 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCCn2cccc2)C1=O 288020056 QAGGLWILHNJUMG-ZDUSSCGKSA-N 318.377 -0.150 30 20 DBED N#CC1(NC(=O)CN2CCC(O)(C(N)=O)CC2)CCCCC1 320172258 XOHFGTWSXVDHTF-UHFFFAOYSA-N 308.382 -0.359 30 20 DBED C[C@@H]1OCC[C@]12CN(C(=O)Cn1cnc(C#N)n1)C[C@@H](C)O2 329887457 XLIAZEHZRIKLCI-SUNKGSAMSA-N 305.338 -0.055 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N[C@@H]1CC(=O)N(C2CC2)C1 331777357 ORDZWYFQMRHZFQ-VHSXEESVSA-N 300.384 -0.182 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CC(NC(=O)COC)C1 332077494 XSBHLYYQCAAQGG-JTQLQIEISA-N 318.399 -0.840 30 20 DBED CCN(CCC#N)S(=O)(=O)N[C@]1(CC(=O)OC)CCOC1 336933516 DFIOAGPCDMACLE-LBPRGKRZSA-N 319.383 -0.221 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)NC[C@@H]1CC[C@H](C(N)=O)O1 337764431 LTWIEXSDPYDOGW-KXUCPTDWSA-N 304.372 -0.912 30 20 DBED CNC(=O)N[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)nc2)C1 341967706 QAWXQHIXCPDHNC-SNVBAGLBSA-N 309.351 -0.355 30 20 DBED CCOc1ccccc1C(=O)NCC(=O)NCC(=O)NCC#N 343508860 RGMAOJQVTPQMPW-UHFFFAOYSA-N 318.333 -0.429 30 20 DBED C[C@H]1CN(S(=O)(=O)N(C)[C@H](C)CC#N)C[C@@H](C)S1(=O)=O 352592763 IPNCJRAPIFAQAF-MXWKQRLJSA-N 323.440 -0.027 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@@H](CN)CCCC)C1=O 420115819 FRCCTPPIEYVWFQ-CHWSQXEVSA-N 324.425 -0.135 30 20 DBED Cc1cccc(NC(=O)C(=O)NCC(=O)NCCO)c1C#N 439262054 XKDOQNWVBWFVMA-UHFFFAOYSA-N 304.306 -0.970 30 20 DBED N#Cc1cccc(NC(=O)C(=O)N2CC[C@@H](S(N)(=O)=O)C2)c1 440269730 UWZIOMJGZPIPJV-LLVKDONJSA-N 322.346 -0.614 30 20 DBED Cc1nc(C#N)c(C#N)n1CC(=O)NCC(=O)NC(C)(C)C 442900991 ITSXRQJEHQZLGW-UHFFFAOYSA-N 302.338 -0.034 30 20 DBED COc1cc(C#N)ccc1NC(=O)C(=O)N1CCNC(=O)[C@H]1C 527125566 XNCXSIRPFVXFLJ-SECBINFHSA-N 316.317 -0.148 30 20 DBED COC(=O)[C@H]1C[C@@H](O)CN(CC(=O)N(CCC#N)CCC#N)C1 592198189 HKAJNAMAWAPQJE-QWHCGFSZSA-N 322.365 -0.502 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)NCC[C@@]1(O)CCCOC1 593661687 URMSABZQPHCFDC-NEPJUHHUSA-N 305.400 -0.014 30 20 DBED N#Cc1ccc(N2C(=O)C[C@@H](N3C[C@H](O)[C@H](O)C3)C2=O)cc1 593919984 CSVKESGJMBIDHE-UPJWGTAASA-N 301.302 -0.772 30 20 DBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H](C#N)CO 597741387 NYDFOBUYAKOSJB-KOLCDFICSA-N 322.346 -0.774 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(OC)n[nH]2)C1=O 628625630 HWFOQBZJZGUOKA-UHFFFAOYSA-N 307.266 -0.666 30 20 DBED C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1OC 661276945 CUQAWYNSPABRPL-WYUUTHIRSA-N 318.395 -0.169 30 20 DBED C#Cc1ccc(C(=O)N2CCN(C(=O)CN(C)C)CC2)cn1 728861987 UQBZTSOQQGNJCG-UHFFFAOYSA-N 300.362 -0.091 30 20 DBED C[C@H](C(=O)N(C)CC(=O)N(CC#N)CC(=O)O)n1cccn1 736204074 XNWQNUDUHROJCD-SNVBAGLBSA-N 307.310 -0.661 30 20 DBED C#CCOCCC(=O)O[C@@H](C)C(=O)N1CCC[C@@H](C(N)=O)C1 756310559 XILKVZKMHSUNQB-NWDGAFQWSA-N 310.350 -0.318 30 20 DBED C#C[C@H](NC(=O)C(=O)Nc1cncnc1OC)[C@@H]1CCCO1 773784695 CKYMXXMHHADOFG-ONGXEEELSA-N 304.306 -0.279 30 20 DBED N#Cc1c(N2CCN(CCO)CC2)cccc1S(N)(=O)=O 784548586 VTHRHQSJXDLAEP-UHFFFAOYSA-N 310.379 -0.680 30 20 DBED CCOC(=O)CON=C(C(=O)N[C@H](CC)CO)c1cc[nH]n1 789955595 XEDNYCUVVGBHOV-SECBINFHSA-N 312.326 -0.419 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C[C@@H]2SC(=N)NC2=O)C1=O 799026885 PURPDGWLGXCFNR-IUCAKERBSA-N 310.379 -0.212 30 20 DBED N#CC1CCN(C(=O)[C@@H]2CCCN(S(N)(=O)=O)C2)CC1 824719030 AZQYBWXFMURLQU-LLVKDONJSA-N 300.384 -0.336 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N[C@H]1CCC[C@@H]1C(=O)NC 829183365 XLRPDDYPWZDQCN-STQMWFEESA-N 323.393 -0.484 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](C)C(C)C)CC1 831560489 AJKBZNJYTAJIKY-GFCCVEGCSA-N 301.412 -0.110 30 20 DBED C#C[C@@H](NC(=O)c1cc(S(N)(=O)=O)ccc1O)[C@H]1CCCO1 832412512 QPNYHESWRPUAMB-DGCLKSJQSA-N 324.358 -0.050 30 20 DBED CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1CNC[C@H]1C#N 834480975 YOWNKIQHHLDHPZ-OPRDCNLKSA-N 302.400 -0.822 30 20 DBED C#CCCN1CCN(C(=O)CCN2C(=O)CCNC2=S)CC1 847416924 TUCDWHLYPBMUJZ-UHFFFAOYSA-N 322.434 -0.349 30 20 DBED Cn1cc(/C=C2\S/C(=N/C3CC3)NC2=O)c(=O)n(C)c1=O 849252700 ZCXSSIPHLMTPRG-UITAMQMPSA-N 306.347 -0.194 30 20 DBED C#CC1(O)CN(C(=O)N[C@@H]2CCc3nc(COC)nn3C2)C1 893628448 XJELWHRXACLNDT-SNVBAGLBSA-N 305.338 -0.871 30 20 DBED CN(C(=O)[C@@]1(C)CNC(=O)C1)[C@H]1CCN(C(=O)C#CC2CC2)C1 937349732 KMOGHRFLNAWATG-SUMWQHHRSA-N 317.389 -0.015 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC(=O)N1 937491897 AEKGHWHTUPUDHU-FIQHERPVSA-N 304.350 -0.374 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)[C@@H]2CCCN2C(N)=O)C1 938197822 KGAKTZYTBZINLO-DCAQKATOSA-N 307.354 -0.594 30 20 DBED C[C@@H](C#N)C(=O)N1CCCC[C@@H](NC(=O)Cn2cncn2)C1 943551520 UXOLMSMMZWDZLF-NWDGAFQWSA-N 304.354 -0.065 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCN(C(=O)Cn3cncn3)CC2)C1 945062722 CGROCUIFEIQLQV-GFCCVEGCSA-N 316.365 -0.111 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(NC(=O)c2c[nH]c(=O)cn2)CC1 948096203 HJAFXHCUMGTSGS-VIFPVBQESA-N 303.322 -0.350 30 20 DBED C=CCCN1CCN(C(=O)CCc2nnc(O)nc2O)CC1 949069986 WZEZXOJAMOHYMF-UHFFFAOYSA-N 307.354 -0.064 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2CCN2C(=O)CC(N)=O)cn1 951376959 MLPIZQDJCDFOFJ-LBPRGKRZSA-N 300.318 -0.731 30 20 DBED C=CCn1cc(C(=O)N[C@]2(C)CCN(C(=O)COC)C2)nn1 956930786 XDHLJUCMPQAGHX-CQSZACIVSA-N 307.354 -0.169 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2cc(C3CC3)n(C)n2)C1 958121869 MZNMDFGPMKSISD-DOMZBBRYSA-N 302.378 -0.047 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2ncn(C(C)(C)C)n2)C1 958400422 UQURWBWSRQBRSO-NEPJUHHUSA-N 305.382 -0.311 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2ccnc(N(C)C)c2)C1 958453055 KCSKEFPTVLLGGG-ZIAGYGMSSA-N 302.378 -0.197 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1[C@@H]2CN(CC(=O)NC3CC3)C[C@@H]21 961815937 PASPWRRGORKOCL-NJURLYQPSA-N 319.405 -0.098 30 20 DBED Cc1ccn(C)c1C(=O)N[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1O 962488283 RFNUFGLDVPVVOK-UTUOFQBUSA-N 304.350 -0.205 30 20 DBED C[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)c1cc(=O)n(C)o1 966395615 DXGWNQUGXJPTSA-CMPLNLGQSA-N 317.345 -0.032 30 20 DBED O=C(C#CC1CC1)N1CC[C@@H](NCCN2C(=O)CNC2=O)C1 968613891 MRULEWMULGMNLC-GFCCVEGCSA-N 304.350 -0.858 30 20 DBED C=C(C)CN[C@@H]1CCN(C(=O)c2c[nH]nc2S(N)(=O)=O)C1 969893856 LTSMCZVTMQOUBC-SECBINFHSA-N 313.383 -0.563 30 20 DBED N#CCN1CCO[C@]2(CCN(C(=O)[C@H]3CCNC(=O)C3)C2)C1 972337783 AJFASKFRQKHPHY-SWLSCSKDSA-N 306.366 -0.661 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)c3cn(C)c(O)n3)[C@@H]2C1 975030664 VELCMNGJVDEZPL-CKYFFXLPSA-N 317.349 -0.042 30 20 DBED C#CCCN1C[C@@H]2C(CNC(=O)[C@H]3CN(C(C)=O)CCO3)[C@H]2C1 979013978 LGXGMKPRHRZVGG-BZUAXINKSA-N 319.405 -0.449 30 20 DBED CC(=O)N1CC(C(=O)NC[C@@H]2CCN(C(=O)C#CC3CC3)C2)C1 982742449 OOEABMNYHPWKEC-AWEZNQCLSA-N 317.389 -0.157 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](CNC(=O)C2CC(=O)NC(=O)C2)C1 983216797 QUXKKTVUGMTKEJ-NXEZZACHSA-N 320.349 -0.836 30 20 DBED CC#CCN1CC[C@]2(NC(=O)C[C@@H]3NC(=O)NC3=O)CCC[C@H]12 991098785 CYDKLUKZYVHSCL-MQIPJXDCSA-N 318.377 -0.279 30 20 DBED Cn1cnc(C(=O)N[C@H]2CCN(C(=O)C#CC3CC3)C[C@@H]2O)c1 991390510 RPFROSQCUVUSNR-JSGCOSHPSA-N 316.361 -0.475 30 20 DBED O=C(N[C@@H]1CCN(C(=O)C#CC2CC2)C[C@H]1O)c1ncccn1 991718183 OHAZIODICDLGEF-CHWSQXEVSA-N 314.345 -0.418 30 20 DBED C#CCN1CC[C@@]2(NC(=O)Cn3nc(C)n(C)c3=O)CCC[C@@H]12 992452856 FVHDXOVXYDRRJX-CJNGLKHVSA-N 317.393 -0.363 30 20 DBED C#CCCN1CCC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@H]1C 993367061 PSGOSONJXHMNNH-NEPJUHHUSA-N 318.381 -0.631 30 20 DBED C=C[C@](C)(CC)C(=O)N1CC(NC(=O)[C@H]2CN(C)C(=O)N2)C1 997448151 NQPWSYOKLLOGRP-IAQYHMDHSA-N 308.382 -0.061 30 20 DBED C[C@H](NC(=O)[C@H]1CCNC1=O)C1CN(C(=O)C#CC2CC2)C1 1006561994 HPLZURCSOWJCLW-GWCFXTLKSA-N 303.362 -0.501 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2C(CNC(=O)c3cc(=O)n(C)o3)[C@@H]2C1 1009004085 RHPDZYZYUSPJMX-MIMYLULJSA-N 318.333 -0.428 30 20 DBED C=CCn1cc(C(=O)NCC2[C@H]3CN(C(=O)COC)C[C@H]23)nn1 1009067576 VRKMUXYYKMSHKU-VXGBXAGGSA-N 319.365 -0.455 30 20 DBED CN1CC[C@H](N2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)C1=O 1010461158 CJKBAXRKILWRFW-AAEUAGOBSA-N 301.350 -0.079 30 20 DBED C[C@@H](c1nnnn1C)N1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 1010692650 WKYNHIBXJZWHBD-GXSJLCMTSA-N 314.353 -0.025 30 20 DBED C=CCN1CC[C@@H](N2CC[C@@H](NC(=O)Cc3nc[nH]n3)C2)C1=O 1015967627 KPVOOBZDMMGEHW-VXGBXAGGSA-N 318.381 -0.675 30 20 DBED CC#CCN1CCC2(CC1)C[C@@H]2NC(=O)Cn1ncn(C)c1=O 1016701584 YXPITMRBEFBJOZ-ZDUSSCGKSA-N 317.393 -0.424 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CCN(C(=O)CS(C)(=O)=O)[C@@H]2C1 1021186060 OWANWLLWYXPQGO-OUAUKWLOSA-N 313.379 -0.750 30 20 DBED C=CCN1CC[C@H](N[C@H]2C[C@@H](NC(=O)c3cnnn3C)C2)C1=O 1022033617 ZGHSDENOYRGZBT-TUAOUCFPSA-N 318.381 -0.548 30 20 DBED C=CCn1cc(C(=O)N[C@H]2C[C@@H](N[C@H]3CCCNC3=O)C2)nn1 1022825166 USWPMUASSVPPFA-TUAOUCFPSA-N 318.381 -0.407 30 20 DBED N#CCN[C@H]1C[C@@H](NC(=O)c2cn(C[C@@H]3CCOC3)nn2)C1 1022904151 FGMKBSZJMOQCPS-SDDRHHMPSA-N 304.354 -0.311 30 20 DBED Cc1nccc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2O)n1 1023826280 DCNZUTMLOMLEGW-XXILOJSOSA-N 303.322 -0.754 30 20 DBED C=CCn1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)C(C)(C)C)C2)nn1 1025579699 CNBFJZHCXYQEAW-ZYHUDNBSSA-N 321.381 -0.188 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(O)nc2)C1 1025643987 GJTWDHDWDZCMDB-JMJZKYOTSA-N 304.306 -0.752 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H]2CCCN2[C@@H]2CCNC2=O)c1 1027811815 AGOQVECELUQMCX-DGCLKSJQSA-N 301.350 -0.031 30 20 DBED C=C(Br)CN1CC(CNC(=O)[C@H]2CNC(=O)N2)C1 1031945336 UTSIQEGIGHZAMI-SECBINFHSA-N 317.187 -0.376 30 20 DBED CC#CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[C@H](OC)CN1C(C)=O 1032541081 BVGXZDYJDGFCST-YHUYYLMFSA-N 319.405 -0.069 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)[C@@H]2CCCS(=O)(=O)C2)C1 1035530975 PEXDSFFCOVPFQE-OLZOCXBDSA-N 314.407 -0.739 30 20 DBED CC(C)[C@@H](O)C(=O)N1CC[C@@](O)(CNC(=O)C#CC2CC2)C1 1039681007 RQYKQVSFLHVAQB-GDBMZVCRSA-N 308.378 -0.504 30 20 DBED COC1CC(C(=O)N2CC[C@](O)(CNC(=O)C#CC3CC3)C2)C1 1039684858 FEDHVSSCODTRHW-KVULBXGLSA-N 320.389 -0.096 30 20 DBED C=CCCC(=O)N1CC[C@@](O)(CNC(=O)[C@H]2CCN(C)C2)C1 1039757448 RQXGFGCRKHVMQQ-XJKSGUPXSA-N 309.410 -0.016 30 20 DBED Cc1ncc(CC(=O)N2CC[C@@](O)(CNC(=O)[C@H](C)C#N)C2)o1 1040760031 LMZWHDVKSDXYBW-MEBBXXQBSA-N 320.349 -0.235 30 20 DBED Cc1ncc(C(=O)N2CC[C@@](O)(CNC(=O)[C@@H](C)C#N)C2)n1C 1040768662 DPUCFRSFXXFQHL-ZUZCIYMTSA-N 319.365 -0.419 30 20 DBED Cc1ccc(C#N)c(N2C[C@@H](O)[C@H](NC(=O)c3cn[nH]c3)C2)n1 1040924256 PVKRYHSLBIIJGA-CHWSQXEVSA-N 312.333 -0.036 30 20 DBED Cc1c[nH]nc1C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1O 1041004071 DXWSKNRSCCVQIM-NXEZZACHSA-N 313.321 -0.641 30 20 DBED C=CCCOCC(=O)N1CC(O)(CNC(=O)CCOC)C1 1041074140 QONNCMBKLJCEHW-UHFFFAOYSA-N 300.355 -0.695 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)c2ccccn2)C1 1041174064 BCGCYDMWDWTBPV-GFCCVEGCSA-N 317.345 -0.577 30 20 DBED N#CCN1CC[C@@]2(CCN(C(=O)CN3CCCNC3=O)C2)C1 1041440025 JKEUJBKWAOPEPT-OAHLLOKOSA-N 305.382 -0.150 30 20 DBED CC[C@@H](OC)C(=O)N1CC(O)(CNC(=O)c2ccc(C#N)[nH]2)C1 1042608488 DQUAPKYWDPINGI-GFCCVEGCSA-N 320.349 -0.386 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(O)CN(C(=O)c2cccnn2)C1 1042806444 HCXBFJIPCLKGRF-AWEZNQCLSA-N 320.349 -0.893 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(O)CN(C(=O)[C@@H]2CCOC2)C1 1042807839 ZOLHAWPZYYRLIC-RISCZKNCSA-N 312.366 -0.961 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)Cc2ccnn2C)C1 1042814932 RRQWBGKFLRRLKI-UHFFFAOYSA-N 318.377 -0.544 30 20 DBED CCO[C@@H](C(=O)NCC1(O)CN(C(=O)[C@H](C)C#N)C1)C(C)C 1043034752 SMMOEJRMZBDNPI-VXGBXAGGSA-N 311.382 -0.103 30 20 DBED C=CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)Cc2ncc[nH]2)C1 1043571436 OYUWSWLQYHSJJM-NSHDSACASA-N 322.365 -0.767 30 20 DBED C#CCC1(C(=O)N2CC(O)(CNC(=O)c3cnn[nH]3)C2)CCC1 1043813126 OKCHBPOILOKWNY-UHFFFAOYSA-N 317.349 -0.699 30 20 DBED N#Cc1cncc(N2C[C@H](O)[C@H](NC(=O)c3cncnc3)C2)n1 1043917812 IDRUQMZEATWGNJ-NEPJUHHUSA-N 311.305 -0.882 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)[C@@H]2CC(=O)N(C)C2)C1 1044479344 XBNZFQBNFYTQOY-LLVKDONJSA-N 323.393 -0.634 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)C2CC(F)(F)C2)C1 1045540563 IQZHRXXXTCODTG-QMMMGPOBSA-N 301.293 -0.119 30 20 DBED N#Cc1ccc(C(=O)N2CCN([C@@H]3CCN(CCO)C3)CC2)[nH]1 1046022091 OHEXTVCKKCEGBM-CQSZACIVSA-N 317.393 -0.289 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)CN2CCC[C@@H]2C)C1 1046665146 NDXVLCZOYYXZHG-AWEZNQCLSA-N 321.421 -0.180 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2cnn(C)c2)C1 1047537582 RSXQXJUYAQJICI-XGUBFFRZSA-N 302.378 -0.340 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(CCOC)c2)C1 1047615900 ZFUDTBYZMOKKFR-GJZGRUSLSA-N 320.393 -0.330 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cc(N(C)C)ccn2)C1 1047645658 DICFAUJSYBTPSK-GJZGRUSLSA-N 302.378 -0.102 30 20 DBED CC(C)C#CC(=O)N(C)[C@H]1CN(C(=O)CC2(O)CCC2)C[C@@H]1O 1048811245 RKLKZCZWIRXOMM-KBPBESRZSA-N 322.405 -0.019 30 20 DBED C#CCN1C[C@H]2CN(C(=O)[C@]34C[C@H]5C[C@H](C(=O)N3)[C@H]4C5)C[C@H]2C1 1048905123 WGCPUVXJHFUOSR-QKWHFPKLSA-N 313.401 -0.076 30 20 DBED C#Cc1cncc(C(=O)N2CC[C@@H]([C@@H](C)NC(=O)C(N)=O)C2)c1 1051551126 RXGMGFDYBDBQTM-ZYHUDNBSSA-N 314.345 -0.485 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H]1CN(C(=O)COCC)C[C@H]1C 1051885295 GFFDLFHVKRVTCO-CHWSQXEVSA-N 323.393 -0.627 30 20 DBED C#CCCN1CCN([C@H]2CCN(C(=O)c3cnn(C)n3)C2)CC1 1052098205 FLTAPJFOOSWIKX-AWEZNQCLSA-N 316.409 -0.330 30 20 DBED C#CCOCCC(=O)N1C[C@@H](C)[C@@H](CNC(=O)CC(=O)NC)C1 1052599868 QELUBXJMJILPOH-OLZOCXBDSA-N 323.393 -0.627 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)[C@@H]3CC(=O)N(CC)C3)CO2)C1 1053821085 UUSNZIIRAAYCIU-KGLIPLIRSA-N 319.405 -0.162 30 20 DBED C[C@@H](C#N)C(=O)NCCN1CCC(NC(=O)c2cnn[nH]2)CC1 1055631869 LZUCNNMRTSAXOB-JTQLQIEISA-N 319.369 -0.725 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCC[C@](CO)(NC(C)=O)C1 1055679373 XHNRTVKBHZZKOF-HOCLYGCPSA-N 307.394 -0.426 30 20 DBED C=CCOCC(=O)N1CCC[C@](CO)(NC(=O)c2cn[nH]c2)C1 1055795912 DWQNAJNCDAAPSK-HNNXBMFYSA-N 322.365 -0.304 30 20 DBED N#Cc1cnc(N[C@@H]2CCN(C(=O)CN3CCOCC3)C2)cn1 1056608067 WKDNRIJSNJGMPA-GFCCVEGCSA-N 316.365 -0.307 30 20 DBED CN(c1cncc(C#N)n1)[C@H]1CCN(C(=O)Cn2ncnn2)C1 1056969762 PTLNDICKWAUOCN-NSHDSACASA-N 313.325 -0.928 30 20 DBED C=C[C@](C)(O)CC(=O)NCCN(CCO)C(=O)c1cn[nH]c1 1057074072 QLDUCLQVRVHMCG-AWEZNQCLSA-N 310.354 -0.713 30 20 DBED N#Cc1ccc(N2CCCN(C(=O)[C@H]3COC(=O)N3)CC2)nn1 1057132735 ZSIXYKGXRCJNQL-LLVKDONJSA-N 316.321 -0.505 30 20 DBED O=C(C#CC1CC1)NCCN(CCO)C(=O)c1cccc(O)n1 1057278750 NIFRETWLVANHGM-UHFFFAOYSA-N 317.345 -0.249 30 20 DBED Cc1ncn(C)c1C(=O)NCCN(CCO)C(=O)C#CC(C)C 1057524462 GVVCVLKUGQGIQF-UHFFFAOYSA-N 320.393 -0.061 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)c1ccn(C)n1 1057637253 JDPSKBSOXFKDAR-UHFFFAOYSA-N 306.366 -0.370 30 20 DBED C=C[C@H](CC)CC(=O)N(CCO)CCNC(=O)c1nc[nH]n1 1058468997 WPOBVYPFQJOZNX-LLVKDONJSA-N 309.370 -0.042 30 20 DBED C[C@@]1(C(=O)N[C@H]2CCN(c3ccnc(C#N)n3)C2)CCC(=O)N1 1058536264 GKQLRMQGEIRVTI-BONVTDFDSA-N 314.349 -0.288 30 20 DBED N#Cc1cnc(N[C@H]2C[C@H](NC(=O)[C@H]3CNC(=O)N3)C2)cn1 1059391879 LNENKXJDVMLHHD-NQMVMOMDSA-N 301.310 -0.911 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@@H](CCNC(=O)C(N)=O)C2)cn1 1060026773 NJGAUZFDZRZCEU-LLVKDONJSA-N 314.345 -0.483 30 20 DBED O=C(Cn1nccn1)NC[C@@H]1COCCN1C(=O)C#CC1CC1 1061616782 RWSOHXLKWURFOQ-CYBMUJFWSA-N 317.349 -0.965 30 20 DBED C=CCCO[C@H](C)C(=O)N1CCCC[C@@H]1CNC(=O)C(N)=O 1062051786 RLLDVTSUYMPHMG-VXGBXAGGSA-N 311.382 -0.050 30 20 DBED C#CCNC(=O)CC(=O)NC1(CNC(=O)CCOCC)CCC1 1062694933 FJZBERIAVKIEJB-UHFFFAOYSA-N 323.393 -0.292 30 20 DBED N#Cc1ccc(N2CCO[C@H](CNC(=O)c3cnon3)C2)cn1 1063639060 LDZZNXRVHYUYTK-GFCCVEGCSA-N 314.305 -0.029 30 20 DBED N#Cc1nc(=NCC[C@@H]2CCCCN2C(=O)C(N)=O)cc[nH]1 1063844727 BTDKDUSYTMWYAY-JTQLQIEISA-N 302.338 -0.561 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H]1CN(C(=O)CC2CC2)CCO1 1064740660 DNURQZKMGPDQSG-ZDUSSCGKSA-N 321.377 -0.730 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCO[C@H](CNC(=O)COCC=C)C1 1065152329 JTBMAMCQZHXCRP-UONOGXRCSA-N 324.377 -0.429 30 20 DBED Cc1cc(C#N)nc(N2C[C@H](CNC(=O)C3CC3)[C@@H](O)C2)n1 1067642908 MVXVGCJNSHTVHO-AAEUAGOBSA-N 301.350 -0.020 30 20 DBED C[C@@H]1[C@@H](N=c2cc[nH]cc2C#N)CCN1C(=O)CS(C)(=O)=O 1068774035 IRCOGKGVICFMET-PWSUYJOCSA-N 322.390 -0.179 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1COC2(C1)CN(C(=O)c1cnsn1)C2 1069002901 IRDCQQZVDMICSQ-BDAKNGLRSA-N 321.362 -0.203 30 20 DBED C[C@H]1C[C@@H](N=c2cc[nH]cc2C#N)CN1C(=O)Cn1ncnn1 1069153143 UXWXFLDMHSQMBS-CMPLNLGQSA-N 312.337 -0.537 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H]2CCC(=O)NC2)C1 1069964504 PJDGGNIQIHFUBT-UPJWGTAASA-N 318.381 -0.668 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@@H]2CCN(C)[C@@H]2C)C[C@@H]1n1ccnn1 1070197044 QEOUQVITWGOEJT-TUVASFSCSA-N 316.409 -0.407 30 20 DBED C#CCN[C@@H]1CN(C(=O)Cc2ncc[nH]2)C[C@H]1c1cncn1C 1070705071 AOICAXSRIAKOLA-CHWSQXEVSA-N 312.377 -0.097 30 20 DBED C=CCN1C[C@H]2C[C@@H]3CN(C(=O)c4cnnn4C)C[C@@]3(C1)O2 1070794866 DQWPKMMJJJJDHZ-LALPHHSUSA-N 303.366 -0.084 30 20 DBED N#CCN1C[C@H]2C[C@H]3CN(C(=O)Cc4nc[nH]n4)C[C@@]3(C1)O2 1070879247 OLYUPGNKEJZSMZ-MISXGVKJSA-N 302.338 -0.828 30 20 DBED N#CCN1CCNC(=O)CCN(C(=O)C[C@@H]2COC(=O)C2)CC1 1070956476 PDSXKMYTNGENIJ-LBPRGKRZSA-N 322.365 -0.886 30 20 DBED CC(=O)N1CC(C(=O)N2C[C@@H](C)O[C@@]3(CCN(CC#N)C3)C2)C1 1071160011 VQOAIABTESOMQA-MLGOLLRUSA-N 320.393 -0.320 30 20 DBED C=C(C)CN1CCN([C@@H]2CCCN(C(=O)C(N)=O)C2)C(=O)C1 1071270957 QWMHLOSHQFZSKC-GFCCVEGCSA-N 308.382 -0.817 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)c2cc(C(N)=O)cn2C)C1 1073681585 RTGCPNVOOVKXOB-CYBMUJFWSA-N 318.377 -0.422 30 20 DBED CC#CCN1CCCO[C@@H](CNC(=O)c2cn(C)c(=O)n2C)C1 1073904463 FSSAYDNAKMLUGA-ZDUSSCGKSA-N 320.393 -0.432 30 20 DBED CC(C)[C@@H](O)C(=O)NCC1(O)CCN(C(=O)C#CC2CC2)CC1 1074581341 ULUSXFILUUBQRA-OAHLLOKOSA-N 322.405 -0.114 30 20 DBED C#CCO[C@H](C)C(=O)NCC[C@H](C)NC(=O)CNC(=O)OC 1076510701 SBBQDKWPVINVAD-WDEREUQCSA-N 313.354 -0.608 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)c2cnn(CCOC)c2C)C1 1076987363 NPBYGYGJKIMOBT-HUUCEWRRSA-N 320.393 -0.364 30 20 DBED C=CCCOCC(=O)NCC[C@H](C)NC(=O)c1nnn(C)n1 1077065258 VKLIDWMHQBUOMR-JTQLQIEISA-N 310.358 -0.573 30 20 DBED C#CCNC(=O)CC(=O)N1CC(N(CC)C(=O)c2ccc[nH]2)C1 1079295868 GGMHJPARSWCOST-UHFFFAOYSA-N 316.361 -0.173 30 20 DBED CCN(C(=O)C#CC1CC1)C1CN(C(=O)[C@@]2(C)CNC(=O)C2)C1 1079741313 BQPAZKADDMYMEN-QGZVFWFLSA-N 317.389 -0.015 30 20 DBED CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)C2(NC(N)=O)CC2)C1 1080411934 XQHOJHCIQCRWLR-VIFPVBQESA-N 307.354 -0.594 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CO)(NC(=O)Cc2ncc[nH]2)CC1 1080967669 FJLITRJQOFXVBQ-NSHDSACASA-N 319.365 -0.418 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)c2cncn2C)C[C@@H]1O 1081444992 PNVKQGNFMGDWSI-JSGCOSHPSA-N 318.377 -0.227 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(C(=O)c2cnon2)C[C@@H]1O 1081470957 HTSALXXIQGYXQF-PWSUYJOCSA-N 304.306 -0.968 30 20 DBED CCOCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)C#CC2CC2)C1 1081471534 OZVSKJRFESKTED-ZIAGYGMSSA-N 308.378 -0.238 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@@H]1CCn2cncc2C1 1081867329 OFGKDJINFFTTCZ-MRVWCRGKSA-N 303.366 -0.216 30 20 DBED C#CCCN1C[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)C2)[C@H](OC)C1 1081914547 UGCACIJQGGUBFZ-JHJVBQTASA-N 314.407 -0.740 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CCCCN1C(=O)Cn1nccn1 1082098596 LUSHZYFIMVZHOR-NEPJUHHUSA-N 304.354 -0.065 30 20 DBED C#CCN1C[C@@H](NC(=O)Cc2nc3ncccn3n2)[C@H](OC)C1 1082367490 IHIOGUYTOXKKNR-VXGBXAGGSA-N 314.349 -0.885 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2c(C)nc3ccnn3c2C)C1 1083586165 GMIAWRCORWDEKE-OLZOCXBDSA-N 313.361 -0.246 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCN(CCCF)C[C@H]2O)nn1 1090635985 AUCHTBXBVKMJEA-WCQYABFASA-N 311.361 -0.011 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2cn(CC=C)nn2)[C@H](O)C1 1090639129 VYGJRLTVAHAITB-TZMCWYRMSA-N 303.366 -0.348 30 20 DBED C#CCN1CCC(C(=O)N[C@H]2CCN(CC#N)C[C@@H]2O)CC1 1090831278 SKYKPQLJFCFSBX-GJZGRUSLSA-N 304.394 -0.593 30 20 DBED COCC(=O)N[C@@H]1CN(c2nc(C#N)c(Cl)s2)C[C@@H]1O 1091062347 LUGUNRQMRXTWJQ-SFYZADRCSA-N 316.770 -0.020 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@@H]1O 1091152853 KBHJIQTWXVZDEF-DFBGVHRSSA-N 314.345 -0.343 30 20 DBED CC(=O)NCC(=O)NC[C@H]1C[C@@H](Nc2cncc(C#N)n2)C1 1091305086 MWRFATSCVZEPTR-PHIMTYICSA-N 302.338 -0.209 30 20 DBED CSCC(=O)N[C@H]1CCN(c2cncc(C#N)n2)C[C@@H]1O 1092147850 JRPQDZSDTKWJKP-QWRGUYRKSA-N 307.379 -0.233 30 20 DBED CC(=O)N(C)CC(=O)N1CCN(c2nccnc2C#N)CC1 1093145809 QNBMFTUAGIRSHY-UHFFFAOYSA-N 302.338 -0.525 30 20 DBED Cc1nc(N2C[C@H]3[C@H](NC(=O)CNC(N)=O)[C@H]3C2)ccc1C#N 1093211944 WOCAUTOUYKOHMM-YABSGUDNSA-N 314.349 -0.519 30 20 DBED N#CCNC1CCC2(CC1)CN(C(=O)[C@H]1C[C@H]1C(N)=O)CCO2 1093406824 JKSNHWPUJQQKKT-WULFKBJJSA-N 320.393 -0.239 30 20 DBED C#CCNC(=O)CC(=O)NCCNc1ncnc2scnc12 1093558359 PUYWFTBEKAJYIT-UHFFFAOYSA-N 318.362 -0.246 30 20 DBED N#Cc1nccnc1NCCNC(=O)[C@@H]1CCCS(=O)(=O)C1 1093866790 LKAHHXIALORMIH-SNVBAGLBSA-N 323.378 -0.299 30 20 DBED Cn1cc(OCC(=O)NCCN=c2cc[nH]cc2C#N)cn1 1094069628 YZRJACBCJIAIBB-UHFFFAOYSA-N 300.322 -0.284 30 20 DBED C[C@]1(C(=O)NCCNc2nccnc2C#N)CCNC(=O)C1 1094233486 KZTSRRRTOSNJKG-AWEZNQCLSA-N 302.338 -0.207 30 20 DBED COc1cc(C(=O)NCCCN=c2cc[nH]c(C#N)n2)ncn1 1094599311 GQOWRKZHUCMQPS-UHFFFAOYSA-N 313.321 -0.199 30 20 DBED Cc1cc(C(=O)N[C@H]2CC(=O)N(C3CN(CC#N)C3)C2)ccn1 1094799826 RGZIYRSLUDSKLW-ZDUSSCGKSA-N 313.361 -0.072 30 20 DBED CN(C)CCOCC(=O)N1CC[C@@H](N=c2cc[nH]c(C#N)n2)C1 1095048479 BUWOQAICUUQUCY-GFCCVEGCSA-N 318.381 -0.639 30 20 DBED CN(C)C(=O)CC(=O)N1CC[C@@H](N=c2cc[nH]cc2C#N)C1 1095083894 MIKKSOCXZONEKF-GFCCVEGCSA-N 301.350 -0.134 30 20 DBED CN(CCCNC(=O)[C@@H]1CCNC(=O)C1)c1nccnc1C#N 1095516495 WYUAGRUOBVHQFB-LLVKDONJSA-N 316.365 -0.183 30 20 DBED N#Cc1cnc(N2CC[C@@H](NC(=O)CCn3cnnn3)C2)cn1 1096414892 GMSIOIQIVZPGGP-SNVBAGLBSA-N 313.325 -0.880 30 20 DBED CCCC(=O)NCC(=O)N1CC[C@H](N=c2cc[nH]c(C#N)n2)C1 1096920163 OAXFANSKRKMTIU-NSHDSACASA-N 316.365 -0.301 30 20 DBED C#CCCN(CCO)C1CCN(C(=O)C(=O)NCC2CC2)CC1 1098514271 NCDAJCKHVIFRFH-UHFFFAOYSA-N 321.421 -0.179 30 20 DBED C=CCNCc1cn([C@@H]2CCN(C(=O)CCNC(N)=O)C2)nn1 1098778751 APEDPXWUKPISTH-GFCCVEGCSA-N 321.385 -0.615 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)c2cccnc2)[C@@H](O)C1 1099636085 KFELWYSNSMFMKF-KBPBESRZSA-N 318.377 -0.451 30 20 DBED C#CCC1(C(=O)N[C@H]2CCN(CCO)C[C@@H]2O)CCOCC1 1099874668 OSIKXHOWNNXMBB-KBPBESRZSA-N 310.394 -0.650 30 20 DBED C#CCNC(=O)CC(=O)NCCN(C)c1cc(COC)ncn1 1100037873 XKLPXNIXTVPUSV-UHFFFAOYSA-N 319.365 -0.685 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CC(CNC(=O)Cc2cc[nH]n2)C1 1100214593 WXLMUUPDBBLZIV-LKSINWNRSA-N 317.393 -0.426 30 20 DBED C=CCNC(=O)CNC1CC(CNC(=O)c2cnnn2CC)C1 1100301271 BHPFGKAFCDIUHN-UHFFFAOYSA-N 320.397 -0.302 30 20 DBED COCC(=O)NCCC(=O)NCCN(C)c1ccncc1C#N 1100375641 CYEOLQFBUHKLQF-UHFFFAOYSA-N 319.365 -0.342 30 20 DBED CN(CCNC(=O)c1cn(C)c(=O)cn1)c1cnc(C#N)cn1 1100418128 ZEKDRRPXOWJGOP-UHFFFAOYSA-N 313.321 -0.692 30 20 DBED N#Cc1ccc(N2CC[C@H](CNC(=O)Cn3ncnn3)C2)nc1 1101017273 ASEDFFMCYJKQEC-GFCCVEGCSA-N 312.337 -0.418 30 20 DBED CCCN(CCNC(=O)CC(=O)NC)c1cnc(C#N)cn1 1101126892 REUJHLXYMYBVRI-UHFFFAOYSA-N 304.354 -0.183 30 20 DBED C[C@@H](C#N)C(=O)NCC[C@@H]1CN(Cc2nnnn2C)C[C@H]1C 1102784204 OMBUNFRIZSORKL-QJPTWQEYSA-N 305.386 -0.056 30 20 DBED C[C@@H](CN=c1cc[nH]cc1C#N)CNC(=O)[C@H]1COCCO1 1103880267 WXZXOAUTKRJRQB-SMDDNHRTSA-N 304.350 -0.045 30 20 DBED C[C@H](CNc1nccnc1C#N)N(C)C(=O)Cn1cnnn1 1104447807 ODLAIZKIOGUKFK-SECBINFHSA-N 301.314 -0.706 30 20 DBED C#CCNCC[C@@H]1CN(C(=O)CN2CCC(=O)NC2=O)C[C@H]1C 1104878922 VVXPMVCQRDJLBD-CHWSQXEVSA-N 320.393 -0.364 30 20 DBED C#CCCNCC[C@@H]1CN(C(=O)CS(=O)(=O)NC)C[C@H]1C 1105025375 SJBXKGXPUZNZPD-CHWSQXEVSA-N 315.439 -0.367 30 20 DBED C#CCNCc1cn(C2CN(C(=O)[C@]3(F)CCOC3)C2)nn1 1105312235 GTWJDNMOSABIJS-AWEZNQCLSA-N 307.329 -0.487 30 20 DBED C#CCCN[C@@H]1C[C@@]2(C[C@H]1O)CN(C(=O)C(N)=O)[C@H]2C(C)C 1105651921 JZTIUXLVPYAZJP-NFFDBFGFSA-N 307.394 -0.539 30 20 DBED N#Cc1cnc(NC[C@H](O)CNC(=O)C[C@@H]2CCCO2)cn1 1105717881 DBSBLUIDMBGRTG-RYUDHWBXSA-N 305.338 -0.194 30 20 DBED N#Cc1nc(=NC[C@H](O)CNC(=O)C2=COCCC2)cc[nH]1 1105742069 NUVQNRUVLDTYHF-NSHDSACASA-N 303.322 -0.647 30 20 DBED Cn1ccc(CC(=O)NC[C@H](O)CNc2cnc(C#N)cn2)n1 1105817878 BDXVNCCKKJDSKB-GFCCVEGCSA-N 315.337 -0.787 30 20 DBED CN1CC[C@@H](C(=O)NC[C@@H](O)CNc2ccc(C#N)cn2)C1 1105853025 FJUTXNXHRDSCCN-OLZOCXBDSA-N 303.366 -0.206 30 20 DBED CN1CCC(C(=O)NC[C@H](O)CNc2cnc(C#N)cn2)CC1 1105883502 VRTOLCNNRLPHMB-CYBMUJFWSA-N 318.381 -0.421 30 20 DBED N#Cc1nccnc1NC/C=C/CNC(=O)CCNC(N)=O 1107189679 OHCPSGZFMAGCOE-OWOJBTEDSA-N 303.326 -0.509 30 20 DBED CN1C[C@H](C(=O)NC/C=C\CN=c2cc[nH]c(C#N)n2)CC1=O 1107568638 LMTQTWJDRZLOIM-OTDNITJGSA-N 314.349 -0.667 30 20 DBED C[C@H](CNc1ccc(C#N)nn1)NC(=O)CN1CCCC1=O 1107636449 QRPXKUPEVZOGTP-SNVBAGLBSA-N 302.338 -0.113 30 20 DBED Cn1cc(CN2CCO[C@@](C)(CNC(=O)C#CC3CC3)C2)nn1 1107933069 XVGAWCUUARHSHB-INIZCTEOSA-N 317.393 -0.064 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CNc1nccnc1C#N 1108321380 QTBZMNGPRSQNKV-JTQLQIEISA-N 300.322 -0.596 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)[C@H]2CCc3nn[nH]c3C2)C1 1108340743 IXQGPSQQMWAZEN-LRDDRELGSA-N 317.393 -0.250 30 20 DBED C=CCO[C@H](C)C(=O)NC[C@@]1(C)CN(CC(=O)NC)CCO1 1108432188 DOQMBFBQHGQFLE-DOMZBBRYSA-N 313.398 -0.469 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H]2C[C@@H](NCCCO)C[C@H]1C2 1108665462 YMUXMEAZDMNMRE-BFHYXJOUSA-N 307.394 -0.523 30 20 DBED C=CCN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CNS(=O)(=O)NC)C2 1108734359 RJIQOPUMEMIYHP-SRVKXCTJSA-N 316.427 -0.805 30 20 DBED C[C@H](CN(C)c1ccc(C#N)nn1)NC(=O)c1cn(C)nn1 1108925229 OQUFXTQXQQPXCB-SECBINFHSA-N 300.326 -0.269 30 20 DBED C=CCNC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CC(N)=O 1109111592 HGNWWHSELIWKQG-WYUUTHIRSA-N 308.382 -0.726 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cc(=O)n(C)o1 1109195611 BZZMHQKTLQLAEF-AGIUHOORSA-N 319.361 -0.037 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H](OC)C1CC1 1109226444 RSDZSJQHYNOSQO-ORIJERBGSA-N 319.405 -0.118 30 20 DBED C=CCNC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1nc[nH]n1 1109861470 NKOPPOCEFHAHNO-USZNOCQGSA-N 318.381 -0.170 30 20 DBED COC[C@@H](OC)C(=O)N[C@H](CN=c1cc[nH]c(C#N)n1)C1CC1 1109974175 GMJSGCIDHUWYME-VXGBXAGGSA-N 319.365 -0.262 30 20 DBED C#CCN(C(=O)C(N)=O)C1CCN(c2ccnc(C#N)n2)CC1 1110628933 VQZWFZNLAGZESY-UHFFFAOYSA-N 312.333 -0.736 30 20 DBED COCC#CCN1C[C@@H]2CCC[C@]2(NC(=O)Cc2nc[nH]n2)C1 1111929176 YGLJLFJINKSQQH-BBRMVZONSA-N 317.393 -0.032 30 20 DBED C#CCO[C@H](C)C(=O)N1CCN(C[C@@H](O)Cn2cccn2)CC1 1112841776 MFPPBKYSXIOQAZ-HUUCEWRRSA-N 320.393 -0.574 30 20 DBED C#CCOCCC(=O)N1CCN(CC(=O)N(C)C2CC2)CC1 1112843354 QQOVHTFVVOHQLE-UHFFFAOYSA-N 307.394 -0.209 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)CCOCC2CC2)CC1 1112847155 SSRRXEMNASSXBN-UHFFFAOYSA-N 308.382 -0.413 30 20 DBED COC[C@@H](C)[C@H](C)C(=O)N1CCN(CC(=O)NCC#N)CC1 1112944422 DDMWAJUVOCUSJM-OLZOCXBDSA-N 310.398 -0.311 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)[C@@H]2CCC(=O)NC2)CC1 1113057087 BSSXFHGFVSNIBL-QWHCGFSZSA-N 322.409 -0.653 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)c2c(C)n[nH]c2C)CC1 1113435725 YIWJJHGGYLEYAO-CYBMUJFWSA-N 317.393 -0.078 30 20 DBED COCCC(C)(C)C(=O)N1CCN(CC(=O)NCC#N)CC1 1113481933 MNVXCOMMMJSCDI-UHFFFAOYSA-N 310.398 -0.167 30 20 DBED C[C@H](CNC(=O)c1nccnc1N)N(C)c1ccc(C#N)nn1 1113525682 CCQXADAVJYADPY-SECBINFHSA-N 312.337 -0.025 30 20 DBED C[C@@H](CNC(=O)[C@H]1COCCN1C)N(C)c1ccnc(C#N)n1 1113561012 QOSIQFHLLPVVGO-NWDGAFQWSA-N 318.381 -0.380 30 20 DBED Cc1ncc(C(=O)N[C@H]2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]32)s1 1113983406 KIYBYBNMIFTCFD-IWIIMEHWSA-N 319.390 -0.249 30 20 DBED C[C@H](C#N)C(=O)NC1[C@@H]2CN(CC(=O)Nc3nncs3)C[C@@H]12 1114066441 CJEIHALSLHZRLI-IWSPIJDZSA-N 320.378 -0.317 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@@H]2CN(Cc3ccon3)C[C@@H]12 1114157394 DTABDXNRQUTOJY-VXGBXAGGSA-N 302.334 -0.640 30 20 DBED C#CCN1C[C@@H]2C(NC(=O)CCCn3c(O)nnc3O)[C@H]2C1 1114496945 WHKATDCKAPEPFB-UWVGGRQHSA-N 305.338 -0.851 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@@H](CCC)OCC)[C@H]2C1 1114719342 FJSUIUZJNSIBNY-CTASWTNQSA-N 321.421 -0.013 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@@H]3CCO[C@H]3C=C)[C@H]2C1 1114855961 FXOUDWBRHTTZAJ-NJURLYQPSA-N 319.405 -0.074 30 20 DBED C=CCCOCC(=O)NC1[C@@H]2CN(CC(=O)N3CCC3)C[C@@H]12 1115323971 IXPDQUJFQSKXNV-CHWSQXEVSA-N 307.394 -0.142 30 20 DBED Cc1nn(C)c(-n2cccn2)c1C(=O)NCC(=O)NCC#N 1117320909 PWLRANBXFWEJKI-UHFFFAOYSA-N 301.310 -0.716 30 20 DBED C#CCSCCNC(=O)C(=O)N1CC[C@@](C)(C(=O)OC)C1 1117461500 HDBPWBGCCDQZEE-CQSZACIVSA-N 312.391 -0.119 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)C(=O)NC2CCN(C3CC3)CC2)C1 1118208089 ZMSYCUCRABUQPZ-MRXNPFEDSA-N 320.393 -0.394 30 20 DBED C=CC[C@H](CC)NC(=O)C(=O)NCCCN(C)S(C)(=O)=O 1118619824 MRLADCCGURXVNB-NSHDSACASA-N 319.427 -0.145 30 20 DBED C[C@@H](CN(C)C(=O)c1cnc(O)n1C)N=c1cc[nH]c(C#N)n1 1120410169 ZJNKEPFRCQTDND-VIFPVBQESA-N 315.337 -0.218 30 20 DBED N#Cc1cccnc1N[C@@H](CO)CNC(=O)CN1CCCC1=O 1121025178 PQTVBZPPORGNLX-GFCCVEGCSA-N 317.349 -0.535 30 20 DBED N#Cc1nccnc1N[C@@H](CO)CNC(=O)C[C@H]1CCCO1 1121100187 PWOZWYHWKXOHMW-GHMZBOCLSA-N 305.338 -0.194 30 20 DBED Cc1cc(C#N)nc(N[C@@H](CO)CNC(=O)Cc2ccon2)n1 1121257580 LEXUBGYTWOPKMS-GFCCVEGCSA-N 316.321 -0.224 30 20 DBED N#Cc1nc(=N[C@H](CO)CNC(=O)c2ccc(F)cn2)cc[nH]1 1121332106 MHVLGNJUEPACJA-JTQLQIEISA-N 316.296 -0.493 30 20 DBED C=CCn1c(N2CCN(C)C(=O)C2)nnc1[C@@]1(C)CNC(=O)C1 1121497211 OTGZEPRBAAAFPX-OAHLLOKOSA-N 318.381 -0.480 30 20 DBED COCC#CCNC1CC2(C1)CC(NC(=O)[C@H]1CNC(=O)N1)C2 1121654151 SNSGIUBXDFBTDV-HTVNSPLZSA-N 320.393 -0.665 30 20 DBED Cc1nc(N[C@@H](CO)CNC(=O)c2nc[nH]n2)ccc1C#N 1121893322 MUVBFNKVHSLONB-SNVBAGLBSA-N 301.310 -0.417 30 20 DBED C[C@]1(C(=O)NC[C@H](CO)Nc2nccnc2C#N)CCOC1 1121914993 VWRHALVZIXTCKW-YGRLFVJLSA-N 305.338 -0.336 30 20 DBED N#Cc1nc(=N[C@@H](CO)CNC(=O)CC2=CCOCC2)cc[nH]1 1122480630 QWMBFMJGQALOMP-GFCCVEGCSA-N 317.349 -0.604 30 20 DBED CO[C@H](CC(C)C)C(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1 1122487707 MLZNMQDFHYDQBD-NWDGAFQWSA-N 321.381 -0.280 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)[C@H]1CCCN1C 1124838814 ZZNZHYVVYOJYQF-CYBMUJFWSA-N 309.414 -0.451 30 20 DBED CC(C)N(CCN(C)c1cncc(C#N)n1)C(=O)CC(N)=O 1125450493 UHMDDYQUKIAEGV-UHFFFAOYSA-N 304.354 -0.103 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)c2cc(C)ncn2)C1=O 1125797471 BKPZLBHSLJILTE-LBPRGKRZSA-N 303.366 -0.109 30 20 DBED COCC(=O)N[C@@H](C)C(=O)NCCNCc1cccc(C#N)c1 1127966857 GNALUOABASUBNS-LBPRGKRZSA-N 318.377 -0.085 30 20 DBED C#CCNC[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CCOC)n1 1130175797 YHSFTWLEFACPSC-RYUDHWBXSA-N 321.381 -0.447 30 20 DBED C=CCOCCNCCNC(=O)Cc1ccc(C(N)=O)nc1 1130253138 IKKNCTDTRTZQBI-UHFFFAOYSA-N 306.366 -0.369 30 20 DBED CC(=O)N[C@H](C)C(=O)NCc1c[nH]nc1[C@H]1CCN(CC#N)C1 1130342134 AZSIQFPBISWXEI-PWSUYJOCSA-N 318.381 -0.137 30 20 DBED C=CCN1CCOC[C@@H]1c1n[nH]c(CNC(=O)[C@H](O)C(C)C)n1 1130842146 FTLFFOIWAVWFGW-DGCLKSJQSA-N 323.397 -0.003 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)[C@H]2CCNC(=O)CC2)C1=O 1131844470 IPJNNHUGXGWPDP-OLZOCXBDSA-N 322.409 -0.605 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CCN(C)[C@@H](C)C1 1132893406 PHKBQZYNDUWEEJ-MJBXVCDLSA-N 308.426 -0.440 30 20 DBED C[C@H]1CCN(C(=O)CN2C(=O)CCC2=O)C[C@H]1CNCC#N 1133301009 CJHKEHUYHXFBMN-NWDGAFQWSA-N 306.366 -0.267 30 20 DBED C[C@@H](C[C@H](C)NC(=O)CCc1nc[nH]n1)NCC(=O)NCC#N 1134040959 ALDNHGXNPJXQHK-QWRGUYRKSA-N 321.385 -0.750 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)CCc1ncc[nH]1 1134228952 RJWDDUOVRUCETB-CHWSQXEVSA-N 319.409 -0.035 30 20 DBED Cc1ccc(C(=O)N[C@@H](C)C[C@H](C)NCC(=O)NCC#N)nn1 1134332875 IQWREBAKDVTSIR-RYUDHWBXSA-N 318.381 -0.089 30 20 DBED C=CCCN[C@@H](C)C[C@@H](C)NC(=O)Cn1ccc(=O)n(C)c1=O 1134541471 RCSZTYBXAZCOGU-QWHCGFSZSA-N 322.409 -0.004 30 20 DBED C=CCOCCN1CCC2(C1)CN(C(=O)[C@H]1CNC(=O)N1)C2 1148167204 BUNPTNZLJYCFMI-GFCCVEGCSA-N 308.382 -0.595 30 20 DBED CCCNC(=O)CN1CCCO[C@H](CNC(=O)[C@H](C)C#N)C1 1149405391 CBAYDFFLIRNKCX-CHWSQXEVSA-N 310.398 -0.121 30 20 DBED C#CCCN1CCCO[C@H](CNC(=O)[C@H](C)S(C)(=O)=O)C1 1149904709 VPBHKMQEKFEBNR-QWHCGFSZSA-N 316.423 -0.350 30 20 DBED C=CCOCCNCCNC(=O)Cc1nc2ncccn2n1 1151056349 LLCAOKRYZMMISM-UHFFFAOYSA-N 304.354 -0.425 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cnc(OC)c(Cl)c1 1152072786 IZLMFGVJOHVFIH-UHFFFAOYSA-N 324.768 -0.188 30 20 DBED C#CCN1CCC(C(=O)NCCNCC(=O)N2CCC2)CC1 1152330208 IUQLKDLTUDOKFQ-UHFFFAOYSA-N 306.410 -0.730 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)c1cnc(C)[nH]1 1152392732 SJPCGVNHSPHRLN-SNVBAGLBSA-N 306.370 -0.202 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)[C@@H]1CCC(=O)N1C 1154682415 KTWRAWPKXQCGQB-OLZOCXBDSA-N 322.409 -0.817 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)[C@]1(C)CCNC1=O 1155211686 XOYXZNXXSFVFHR-MLGOLLRUSA-N 322.409 -0.911 30 20 DBED CNC(=O)NC(=O)[C@H](C)NCCCNC(=O)c1ccc(C#N)[nH]1 1156698152 TVELAFMTMPILOL-VIFPVBQESA-N 320.353 -0.560 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1162843367 OXGQLPMSBFNNHT-JEWKUQAESA-N 319.405 -0.356 30 20 DBED C=C(Cl)CNCCCNC(=O)c1c[nH]nc1S(N)(=O)=O 1166342383 SEUVOYHEWYMXDW-UHFFFAOYSA-N 321.790 -0.481 30 20 DBED C=CCCn1cc(C(=O)NCCCNCc2nnn(C)n2)nn1 1167990818 CRQVIIKXYJUCCV-UHFFFAOYSA-N 319.373 -0.713 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)c2ncccn2)[C@H]1C 1179752757 ZQUIMJZWYGNLRF-RYUDHWBXSA-N 303.366 -0.029 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2cc(CC)[nH]n2)C1 1181076768 VFNQHHLTBOBMIR-DGCLKSJQSA-N 317.393 -0.086 30 20 DBED CCn1nccc1C(=O)N1CC[C@@H](NCC(=O)NCC#N)C1 1182164407 WEZQHNMYPZEMDG-LLVKDONJSA-N 304.354 -0.653 30 20 DBED C#CCNC[C@H]1CCN(C(=O)c2cnc(O)n(C)c2=O)C[C@H]1C 1184921992 AFIKHFWDTSEYJO-VXGBXAGGSA-N 318.377 -0.193 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@@H](NC[C@H](O)COC)C2)nc1 1187208136 MGGSFRDGPVPMPX-KGLIPLIRSA-N 303.362 -0.126 30 20 DBED CN(CC(=O)NCC#N)[C@H]1CCN(C(=O)C(=O)C(C)(C)C)C1 1189417959 GZXIMILTGCAZJI-NSHDSACASA-N 308.382 -0.226 30 20 DBED COc1nc(C(=O)N2CC[C@@H](N(C)CC(=O)NCC#N)C2)co1 1191560894 JNARJGOIVXPZSO-SNVBAGLBSA-N 321.337 -0.531 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@@]2(CC(C)C)CCNC2=O)C1 1193911696 NDKYHLCZUKKDBI-CKEIUWERSA-N 321.421 -0.277 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 1194631724 KKLDYMCYUQUQSZ-AAVRWANBSA-N 321.421 -0.421 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)c2cncnc2)C1 1195581065 MRKANMOFWSMXKD-NWANDNLSSA-N 320.393 -0.056 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)C2CC3(CC3)C2)C1 1196083414 QKJINLDEYHMQNH-IACUBPJLSA-N 319.405 -0.524 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)CCNC(=O)C2CCC2)C1 1196868273 UEWVSIMXANPLHM-ZIAGYGMSSA-N 307.394 -0.523 30 20 DBED N#CCNC(=O)CN1CCCN(C(=O)C[C@@H]2CCCOC2)CC1 1198121794 OYJYKDJCAVUFJP-AWEZNQCLSA-N 322.409 -0.023 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)Cc2cnn(C)c2)CC1 1199682061 ROFIBWLELCQXKW-UHFFFAOYSA-N 319.409 -0.155 30 20 DBED CC#CCNC1CCN(C(=O)[C@H](C)NS(=O)(=O)CC)CC1 1200686098 LLLHWLACDNTNTD-LBPRGKRZSA-N 315.439 -0.082 30 20 DBED N#CCNC1CCN(C(=O)CCCCCS(N)(=O)=O)CC1 1204182841 CQNKTNKIUPWRIR-UHFFFAOYSA-N 316.427 -0.061 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2cncnc2)[C@H](C)C1 1206892776 HHNFUOULVHLJFU-DGCLKSJQSA-N 301.350 -0.724 30 20 DBED C=CCNC(=O)NC(=O)CN[C@@H]1CCCN(C(=O)C(F)F)C1 1206984604 VGMFPDFFCWMWGT-SECBINFHSA-N 318.324 -0.156 30 20 DBED CCS(=O)(=O)NCCN[C@H]1CCCN(C(=O)[C@@H](C)C#N)C1 1207693296 OLRIOBCPDFMOLC-RYUDHWBXSA-N 316.427 -0.334 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)c2n[nH]c(C)c2O)C1 1207806363 CKHNCMCLBIXIGU-LLVKDONJSA-N 319.365 -0.633 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)[C@]2(C)CNC(=O)C2)[C@H](C)C1 1208054372 AKMGDNDCJTXTLZ-HSMVNMDESA-N 322.409 -0.749 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)c2c(C)ncn2C)C1 1208373713 NEJRCQWFWQUXBH-ZDUSSCGKSA-N 317.393 -0.328 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](NCC(=O)NC(N)=O)C1 1209707257 DCROBLANKAGBKW-UTUOFQBUSA-N 324.381 -0.647 30 20 DBED C#CCN1C[C@@H](NC(=O)C(C)(C)NC(=O)NCCC)[C@H](OC)C1 1213919872 FGDGUUYRXQBKRZ-CHWSQXEVSA-N 324.425 -0.077 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@H]1C 1214902686 ZCODELSYYPQQCQ-GRYCIOLGSA-N 324.425 -0.375 30 20 DBED C=C(C)CN[C@@H]1CN(C(=O)[C@H](CCC(N)=O)NC(C)=O)C[C@H]1C 1215944654 LVLKYVZIGDYYMA-KWCYVHTRSA-N 324.425 -0.231 30 20 DBED CC(C)N(C)C(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)C#CC2CC2)C1 1219594114 AVULLWDEBHITFW-CFVMTHIKSA-N 321.421 -0.184 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2c[nH]nc2CC)C1 1219928086 PINBTXRQYPULQA-OLZOCXBDSA-N 321.381 -0.951 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)[C@H](C)CCOC)[C@@H]2C1 1222032949 BVRBUJIAMZBFKA-RBSFLKMASA-N 321.421 -0.059 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cncnc1 1225811183 XKHZEVABCZCUOB-CHWSQXEVSA-N 316.365 -0.253 30 20 DBED COCC#CCN1CCC(NC(=O)[C@]2(C)CCC(=O)N2)CC1 1229058692 TZZJQDFZEIEIEM-INIZCTEOSA-N 307.394 -0.115 30 20 DBED C#CCN1CCS(=O)(=O)[C@H](CCNC(=O)c2cncn2C)C1 1230473698 JNHQMSUUHMODHW-GFCCVEGCSA-N 324.406 -0.728 30 20 DBED C=CCNC(=O)CN1CC[C@H]1CN(C)C(=O)COCCOC 1231304444 TZTWGRIQWOSDKT-ZDUSSCGKSA-N 313.398 -0.516 30 20 DBED C=CCNC(=O)CN1CC[C@H]1CN(C)C(=O)c1nnn(C)c1C 1231349671 LMZOPASSFQUDNS-LBPRGKRZSA-N 320.397 -0.428 30 20 DBED C#CCN1CCC(C(=O)OCc2nc(CC(=O)NC)no2)CC1 1255118434 RBUHOYWMDVJPKX-UHFFFAOYSA-N 320.349 -0.254 30 20 DBED C#CCSCCNC(=O)C(=O)N1CC[C@H](C2OCCO2)C1 1262261496 OSFKYCPFOZPQKY-NSHDSACASA-N 312.391 -0.310 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@H](NC(=O)C2(COC)CC2)C1 1269042501 YLJYFFOKVANZLO-OLZOCXBDSA-N 307.394 -0.259 30 20 DBED N#CCn1cc(NC(=O)C(=O)N2CCC[C@H](CCO)C2)cn1 1319440059 WRQMMKVPPDJSKK-LLVKDONJSA-N 305.338 -0.034 30 20 DBED C#CCOCCNC(=O)C(=O)NCCc1cccc(C(N)=O)c1 1322965409 NGEIZRVPULLANC-UHFFFAOYSA-N 317.345 -0.790 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@@H](C)c1ccc[nH]1 1323535463 WXVIWZDRZJDUIX-JTQLQIEISA-N 313.379 -0.091 30 20 DBED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc2nc(C)nn2c1 1325893632 ZMDXVYXPMDTXJZ-UHFFFAOYSA-N 316.321 -0.605 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)NCc1nc(C(N)=O)cs1 1327354860 IMKAAABIYNFBGR-UHFFFAOYSA-N 318.358 -0.657 30 20 DBED C[C@H]1COC(C)(C)CN1C(=O)C(=O)N1CC[C@](O)(CC#N)C1 1329454800 OUHCJWDZFFCTTA-XHDPSFHLSA-N 309.366 -0.111 30 20 DBED C[C@H](C#N)CN(C)C(=O)C(=O)N1C[C@@](C)(CO)[C@@](C)(CO)C1 1331649326 QZKNZMRVULWJQQ-DFBGVHRSSA-N 311.382 -0.556 30 20 DBED C=CCN1CC[C@@H](N(C)Cc2nnc3c(=O)[nH]ccn23)C1=O 1333429234 PQXLWTVJLCTNAM-SNVBAGLBSA-N 302.338 -0.364 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N(CC)CCC(=O)NC 1356342760 DEYTZPRAOGNPEI-UHFFFAOYSA-N 311.382 -0.531 30 20 DBED N#Cc1cn(CCC(=O)NC[C@H](O)C(F)(F)F)c(=O)nc1O 1362835919 OHJOYHMUDOKULR-ZETCQYMHSA-N 320.227 -0.750 30 20 DBED N#Cc1cn(CCNC(=O)CCc2ncc[nH]2)c(=O)nc1O 1364107717 LOALKJVDIWVVLH-UHFFFAOYSA-N 302.294 -0.707 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CNC(=O)Cn2cnnn2)CC1 1372166335 ULEFGAPHNCLMTR-JTQLQIEISA-N 305.342 -0.812 30 20 DBED C=C(Cl)CN[C@H]1C[C@H](NC(=O)CNS(=O)(=O)CC)C1 1376372750 WSKBHIAVSQZVPT-MGCOHNPYSA-N 309.819 -0.085 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)CCn2cccn2)C1 1380117214 KVAGIDLTDICXAY-WFASDCNBSA-N 319.365 -0.488 30 20 DBED C[C@H](CNC(=O)c1cnc(O)n1C)NC(=O)c1cc(C#N)c[nH]1 1386428936 PTZXDWKLAVNGHL-MRVPVSSYSA-N 316.321 -0.126 30 20 DBED CC(=O)N[C@H](C)C(=O)N[C@H]1C[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 1407794017 ICLGDCLDPCUONI-GGZOMVNGSA-N 317.349 -0.212 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)Cn2ncnn2)CCCC1 1416325581 PBWVMAMVRGPCME-JTQLQIEISA-N 305.342 -0.622 30 20 DBED CCN(CCNC(=O)Cn1ncnn1)C(=O)c1ccc(C#N)[nH]1 1449390455 ZIRSBPUSRRRCQU-UHFFFAOYSA-N 316.325 -0.849 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](C)CCNC(=O)CNC(=O)N1CCCC1 1455029978 IPIKYKOHZAHCFI-NWDGAFQWSA-N 323.397 -0.038 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CCN(C(=O)c2cc3n(n2)CCO3)C1 1491842956 NJQIHAGVMZWSGK-VHSXEESVSA-N 303.322 -0.234 30 20 DBED CN1CCC[C@@H]1C(=O)N1[C@H]2CC[C@H]1CN(CC(=O)NCC#N)C2 1566754375 GVIUZZAWVHSVPP-MELADBBJSA-N 319.409 -0.604 30 20 DBED C=CCCCC(=O)N1CC[C@@](O)(CNC(=O)CNC(=O)O)C1 1573356631 FJRRCGRVJDLZAH-CQSZACIVSA-N 313.354 -0.310 30 20 DBED C=CCCOCC(=O)N[C@H]1CCN(C(=O)CNC(=O)O)[C@@H]1C 1573360853 ZGXPHRBELMOFNR-MNOVXSKESA-N 313.354 -0.048 30 20 DBED COCC#CCN1CCN(C(=O)CCOCc2cnn[nH]2)CC1 1576954733 ZKTJQDZFHWBYMR-UHFFFAOYSA-N 321.381 -0.495 30 20 DBED C=CCNC[C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCO1 1588664422 ZCBQUKSPPNTFHP-SNVBAGLBSA-N 317.353 -0.189 30 20 DBED C[C@@H](C(=O)NCC(=O)O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 1589396795 MJPRBZUUTMPBGA-JQWIXIFHSA-N 318.333 -0.004 30 20 DBED CN1C[C@H](C(=O)O)N(C(=O)c2ccc(C#N)c(Cl)n2)CC1=O 1598562528 KVTSFDANVNMTRY-SECBINFHSA-N 322.708 -0.026 30 20 DBED Cn1c(C=O)ccc1C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[nH]1 1606215767 BFRNLTPKILEXTH-UHFFFAOYSA-N 311.265 -0.135 30 20 DBED CC(C)(C#N)CCN1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 1645658719 BSZSXHYVEXAKMJ-QWHCGFSZSA-N 315.439 -0.298 30 20 DBED N#Cc1cncn(CC(=O)N2CCN(C(=O)C3CC3)CC2)c1=O 1645788054 REYPQBYUBKWNJR-UHFFFAOYSA-N 315.333 -0.804 30 20 DBED CS(=O)(=O)C1(CNC(=O)Cn2cnc(C#N)n2)CCCC1 1647190021 QTEHIBWMVOQHFH-UHFFFAOYSA-N 311.367 -0.377 30 20 DBED C#CCN1CCC2(CC1)C[C@H]2NC(=O)CN(C)C(=O)COC 1752425886 GPTRQQAYTKSTKY-CYBMUJFWSA-N 307.394 -0.305 30 20 DBED N#CCNC(=O)CN1CCC[C@@H](CNC(=O)Cc2ncc[nH]2)C1 1752788276 GFCYYPSDJIIZSP-LBPRGKRZSA-N 318.381 -0.580 30 20 DBED C=CCOCC(=O)N1CCC[C@@H](CNCC(=O)NCC#N)C1 1752794289 IJKRDKHUSYUNCQ-ZDUSSCGKSA-N 308.382 -0.343 30 20 DBED N#CCNCCNC(=O)[C@H]1CCCN(C(=O)c2cc[nH]n2)C1 1752923272 APTZXYOXRBEKPU-NSHDSACASA-N 304.354 -0.509 30 20 DBED C#CCN(CC)CCNC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 1753088057 BCQDBPWONCVIES-CVEARBPZSA-N 323.437 -0.063 30 20 DBED COCC#CCN1CCC[C@@H]1CNC(=O)c1ccc(=O)n(C)n1 1753114133 CJTMXKPSSHDTGT-CYBMUJFWSA-N 318.377 -0.376 30 20 DBED COCC#CCN(CCNC(=O)[C@@H]1CCN(C)C1=O)C1CC1 1753159909 OYCQZEJJLJAELH-AWEZNQCLSA-N 307.394 -0.305 30 20 DBED C#CCN(C)C[C@H]1CCN(C(=O)CCc2nnc(O)nc2O)C1 1753350549 LRDQZZZKLQFUHR-LLVKDONJSA-N 319.365 -0.371 30 20 DBED COCC#CCN1CCO[C@H](CNC(=O)c2c(C)ncn2C)C1 1753656089 MXOYEXNEXCGZIV-CQSZACIVSA-N 320.393 -0.191 30 20 DBED C#Cc1cncc(C(=O)N[C@@H](C)CNCc2nc(O)n[nH]2)c1 1754282989 VGAHNWWYLIHYOZ-VIFPVBQESA-N 300.322 -0.205 30 20 DBED COCC#CCNC[C@H](NC(=O)CO[C@@H]1CCOC1)C1CC1 1754442132 TVXALXFKUNTVST-CABCVRRESA-N 310.394 -0.074 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CNC(=O)CCn1ccnc1 1754498880 DHSCQALXNKPHOE-ZDUSSCGKSA-N 303.366 -0.787 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)Cn2cccn2)[C@@H](C)C1 1754590258 LVTSRJLJVVHTGO-UONOGXRCSA-N 317.393 -0.398 30 20 DBED COCC#CCN1CCOC[C@H]1CNC(=O)c1cncnc1O 1754969445 ZAWRQKNUFIDTAV-GFCCVEGCSA-N 320.349 -0.737 30 20 DBED C#CCNC(=O)[C@@H](C)NCC1CC(NC(=O)c2cnnn2C)C1 1755209434 HRFIJDDYYOHXLJ-VOMCLLRMSA-N 318.381 -0.949 30 20 DBED C[C@H](NCC(=O)NCC#N)[C@@H](C)NC(=O)c1ncccc1O 1755234998 WZWUEHRHZGYZCJ-VHSXEESVSA-N 305.338 -0.477 30 20 DBED C=CCCN1CC(CCO)(NC(=O)c2cccc(C(N)=O)n2)C1 1755343115 FHJCKYZHUABYRW-UHFFFAOYSA-N 318.377 -0.077 30 20 DBED C[C@H](NC(=O)CSCC#N)C1CN([C@H]2CCN(C)C2=O)C1 1755371519 YESDVYNPMUFFGZ-JQWIXIFHSA-N 310.423 -0.090 30 20 DBED C=CCCOCC(=O)NCC1[C@@H]2CN(CC(=O)N(C)C)C[C@@H]12 1755436318 RJAWCVGVIQMROT-KBPBESRZSA-N 309.410 -0.039 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)CCn2ccnn2)[C@H]1C 1755650282 JQZJHCMOTCAUFX-QWHCGFSZSA-N 320.397 -0.451 30 20 DBED C#CCCCC(=O)NCC1CC(NC(=O)Cn2cnnn2)C1 1755929962 YMGCIVHSJIFBEH-UHFFFAOYSA-N 304.354 -0.512 30 20 DBED C#CCN1CCC(C(=O)N2CC(CCO)(NC(=O)CC)C2)CC1 1756073330 KUXINTIGRBJZIZ-UHFFFAOYSA-N 321.421 -0.179 30 20 DBED C=CCCOCC(=O)N1CC[C@H](CNC(=O)C(N)=O)[C@@H](C)C1 1756943766 AUTIWKMFTADVEC-NWDGAFQWSA-N 311.382 -0.335 30 20 DBED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)CC(N)=O)[C@H]2C1 1784602321 FJFBYBXSROFIFL-VOAKCMCISA-N 321.377 -0.889 30 20 DBED N#CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)n[nH]1 1795690379 MMRKGMARKLNPKW-YFKFIEJBSA-N 319.321 -0.768 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCCN(C)C1 1799119688 AXYNXZPHDABGJT-HGTKMLMNSA-N 319.405 -0.449 30 20 DBED N#CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCCO1 1800727138 ALTAMJJVJXNUDK-OPDFLTKYSA-N 307.350 -0.331 30 20 DBED N#Cc1ccccc1S(=O)(=O)N1CCN(CC(N)=O)CC1 16635256 RMFZMYBSNBRHTK-UHFFFAOYSA-N 308.363 -0.650 30 20 DBED CCCn1c(N)c(C(=O)CN(C)C[C@@H](C)C#N)c(=O)[nH]c1=O 143231430 MRQJRAJJGUMDMA-VIFPVBQESA-N 307.354 -0.197 30 20 DBED Cc1cc(S(=O)(=O)N[C@H](CC(N)=O)C(=O)O)ccc1C#N 235782819 ZLBMFVUSMSXFNP-SNVBAGLBSA-N 311.319 -0.526 30 20 DBED CN(C)C(=O)CC/N=C(\N)N1CCN(c2ncccn2)CC1 264082461 HZQKDRKSXYUYLR-UHFFFAOYSA-N 305.386 -0.608 30 20 DBED COc1ncc(NC(=O)N2CCO[C@H](C#N)C2)cc1C(N)=O 268527472 HOYTWWCBNVIIDB-SECBINFHSA-N 305.294 -0.055 30 20 DBED C=CCN(CC=C)C(=O)CN1CCC2(CC1)NC(=O)NC2=O 270506512 IWRGGQJTFMFBGH-UHFFFAOYSA-N 306.366 -0.139 30 20 DBED C#CCOc1ccccc1NC(=O)C(=O)NC[C@H](O)COC 274714580 BIDAZLCZVNVOMM-NSHDSACASA-N 306.318 -0.239 30 20 DBED COc1ccc(C#N)cc1NC(=O)C(=O)N(C)C[C@H](O)CO 275933389 WFAYZLFCFJXNGT-JTQLQIEISA-N 307.306 -0.683 30 20 DBED CC(C)n1cc(S(=O)(=O)NCCn2cnc(C#N)n2)cn1 285575093 KNUFJOPDFFQEKN-UHFFFAOYSA-N 309.355 -0.094 30 20 DBED C#CCNC(=O)CCN1CCCC[C@@H]1C(=O)N1CCOCC1 293052688 KQRWLOWBVANKJP-CQSZACIVSA-N 307.394 -0.161 30 20 DBED COC(=O)[C@@H](CNC(=O)CNC(=O)c1ccc(C#N)cc1)OC 293924735 HDRVDGWJFDADQQ-GFCCVEGCSA-N 319.317 -0.408 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)NCCNc1cnccn1 336918110 ODUYFEVDJCTLMJ-LLVKDONJSA-N 312.399 0.204 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)NCC(=O)NCC1CC1 336932665 CSMDVABJQGRXQE-SNVBAGLBSA-N 302.400 -0.171 30 20 DBED N#Cc1ncn(CCNC(=O)c2cc(F)cc3nn[nH]c23)n1 342891178 YUXHOTLOKIGFAR-UHFFFAOYSA-N 300.257 -0.010 30 20 DBED COC(=O)C[C@@H]1COCCN1S(=O)(=O)N(C)CCC#N 344954174 JNRLFBNWMIOBLZ-SNVBAGLBSA-N 305.356 -0.659 30 20 DBED N#Cc1ccc(CSCC(=O)N(CC(N)=O)CC(N)=O)cc1 347701075 NWOBCLJFHUPZMU-UHFFFAOYSA-N 320.374 -0.409 30 20 DBED C=CCOCC(=O)N1CCN(C(=O)CN2CCOCC2)CC1 354289163 HPTWLVXGDUQCCK-UHFFFAOYSA-N 311.382 -0.808 30 20 DBED N#CCNC(=O)CNC(=O)N1CC(=O)N(Cc2ccccc2)C1 358296207 PSSTZHWFCWVUJC-UHFFFAOYSA-N 315.333 -0.362 30 20 DBED C=C[C@H](CO)NC(=O)NCC1CCN(S(C)(=O)=O)CC1 358576929 CEQZBWXHOAWEAW-LLVKDONJSA-N 305.400 -0.496 30 20 DBED CN(CC(=O)N1CCOCC1)[C@@H](C(N)=O)c1ccc(C#N)cc1 360293766 ULUKASHMYMWHNR-OAHLLOKOSA-N 316.361 -0.125 30 20 DBED Cn1cnn(CC(=O)Nc2ccccc2-n2cnc(C#N)n2)c1=O 368694524 ZUZGBTBBHODPLS-UHFFFAOYSA-N 324.304 -0.327 30 20 DBED C=CCNC(=O)CNC(=O)N[C@H]1CCN(c2cnn(C)c2)C1 373174696 ABCKUPUEJKYCNL-NSHDSACASA-N 306.370 -0.400 30 20 DBED C=C(C)CS(=O)(=O)N1CCC(NS(=O)(=O)NC)CC1 408385310 JWSVQTNTFIOXHA-UHFFFAOYSA-N 311.429 -0.590 30 20 DBED Cn1c(=O)n(C)c2cc(NC(=O)Cn3cnc(C#N)n3)ccc21 426399716 CGGIEGHJLXSYML-UHFFFAOYSA-N 311.305 -0.021 30 20 DBED C[C@@H]1CN(S(=O)(=O)c2cccnc2C#N)C[C@H](C(N)=O)O1 428375538 QOIINAKVLPCVAJ-PSASIEDQSA-N 310.335 -0.783 30 20 DBED C#CCN(C(=O)CNS(=O)(=O)CCOC(C)C)C1CC1 491554812 MHJSFMUAHHCMFM-UHFFFAOYSA-N 302.396 -0.045 30 20 DBED N#Cc1cc(N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc(N)c1[N+](=O)[O-] 517962643 YONABOFUWSIRNA-ZYHUDNBSSA-N 316.321 -0.203 30 20 DBED C[C@@]1(CO)CN(S(=O)(=O)CC2(C#N)CC2)C[C@]1(C)CO 528541948 MECLLWIHLUSQFI-TXEJJXNPSA-N 302.396 -0.067 30 20 DBED COCCOC1CN(C(=O)C(=O)Nc2cccc(C#N)n2)C1 567835418 OCTIDDOLEZUPDS-UHFFFAOYSA-N 304.306 -0.234 30 20 DBED CN1CCC[C@H](NCCS(=O)(=O)c2ccc(C#N)cn2)C1=O 579463161 GGBJOSGPZNSNHN-LBPRGKRZSA-N 322.390 -0.063 30 20 DBED N#CC[C@]1(O)CCN(C(=O)CNC(=O)c2ccc(O)cc2)C1 592949155 GZMRSZNIRREUFQ-HNNXBMFYSA-N 303.318 -0.001 30 20 DBED C=CCCn1cc(CN2CCNC(=O)[C@@H]2CC(=O)OC)nn1 593937020 MPSOASAXRIDQOE-LBPRGKRZSA-N 307.354 -0.282 30 20 DBED CC(C)(CC#N)CNC(=O)[C@H]1CCCN(S(N)(=O)=O)C1 597761267 AUSKSQZOOIRNBW-JTQLQIEISA-N 302.400 -0.042 30 20 DBED COC(=O)C[C@@H](O)CNC(=O)C(=O)Nc1ccc(C#N)c(F)c1 600060542 RNNWNYPRSLTCBV-SNVBAGLBSA-N 323.280 -0.324 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)C[C@H]2CCN(C)C2)CC1 635158296 XQYTWSVLVCQTEW-CQSZACIVSA-N 308.426 -0.225 30 20 DBED CS(=O)(=O)Nc1ccsc1C(=O)OCC(=O)NCC#N 731244029 FWZALBULTBRKLY-UHFFFAOYSA-N 317.348 -0.084 30 20 DBED C#CCN1CCC(C(=O)OCC(=O)NC(=O)NCC=C)CC1 735940893 UQLYPJATXVQJFZ-UHFFFAOYSA-N 307.350 -0.113 30 20 DBED C[C@@H](CC(N)=O)NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 743524619 YMXRAYSCCNTHDG-QMMMGPOBSA-N 324.362 -0.895 30 20 DBED CN1CC[C@@](O)(CNC(=O)NCCNc2ncccc2C#N)C1 763017703 OSDWEBATAOZNAX-OAHLLOKOSA-N 318.381 -0.269 30 20 DBED C#CCn1cc(CNC(=O)Cn2nc3ccccn3c2=O)cn1 788224632 HQVOLKGWGQBCPN-UHFFFAOYSA-N 310.317 -0.358 30 20 DBED N#CCn1cc(NC(=O)C(=O)N2CC(=O)N(CC3CC3)C2)cn1 789809425 HKZBFKKIJVPZOP-UHFFFAOYSA-N 316.321 -0.617 30 20 DBED C#CCNC(=O)COC(=O)c1nnn(Cc2cc(C)no2)c1C 796530176 DHNNERHRUBKHQC-UHFFFAOYSA-N 317.305 -0.163 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)[C@@H](OC)c1cnn(C)c1 798774464 PHJXZECUIAOGHI-NSHDSACASA-N 310.310 -0.337 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(C)C2CCC(N)CC2)C1=O 818530075 QJNGBINRRBTTCM-UHFFFAOYSA-N 322.365 -0.309 30 20 DBED COC(=O)c1cc(S(=O)(=O)N(CC#N)CC(=O)O)c[nH]1 831337780 KQDUWGYNPNXBPA-UHFFFAOYSA-N 301.280 -0.600 30 20 DBED COC(=O)CS(=O)(=O)NC(=O)COc1ccc(C#N)cc1 838804990 XVFKNFOBBPSFQR-UHFFFAOYSA-N 312.303 -0.444 30 20 DBED C=C[C@H](C)ONC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 845633923 PSZXJVVAABIQPD-LBPRGKRZSA-N 324.381 -0.031 30 20 DBED COCCN(C)C[C@H](O)CN1CCC(C#N)(C(=O)OC)CC1 846959708 RRDJXCGNIJNJAO-ZDUSSCGKSA-N 313.398 -0.296 30 20 DBED COCCNC(=O)[C@@H](C#N)C(=O)Cn1c(C)c(C)sc1=O 920107920 JZXZVPIYAHBQQV-JTQLQIEISA-N 311.363 -0.002 30 20 DBED C#CCN1CCC[C@@H](NC(=O)CCSc2nnnn2C)C1 923583464 CEMTVGGUACEBNM-LLVKDONJSA-N 308.411 -0.094 30 20 DBED C#CCOc1ccc(C(=O)N2CC[C@@H](NC(=O)C(N)=O)C2)cc1 942308893 ANAORQYUKVUOBK-GFCCVEGCSA-N 315.329 -0.485 30 20 DBED C#CCCN1CC[C@H](NC(=O)CN2CCNC(=O)C2)[C@H](C)C1 942560133 LIPSCNQLUGEGSW-KGLIPLIRSA-N 306.410 -0.732 30 20 DBED C=CC(C)(C)C(=O)N1CCO[C@H](CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 944781672 OCQXFVYHWQIKGD-UTUOFQBUSA-N 323.393 -0.336 30 20 DBED C[C@H](C#N)C(=O)N1CCC(NC(=O)C[C@H]2CCC(=O)N2)CC1 948099175 QSXFXSPBNDYNLQ-ZYHUDNBSSA-N 306.366 -0.078 30 20 DBED Cn1c(C(=O)N2CCOC3(CCN(CC#N)CC3)C2)cnc1O 949156430 LBKDQNUABIGYDO-UHFFFAOYSA-N 319.365 -0.044 30 20 DBED C=C(Br)CN1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 949953551 NUHUVJMRRVDYOH-VIFPVBQESA-N 317.187 -0.279 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2CCN2C(=O)c2cn[nH]c2)nn1 950053703 ZNTRSBAQVMJJHC-LLVKDONJSA-N 315.337 -0.168 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]1CNC(=O)c1ccoc1CC(N)=O 951844992 BBERKIOFFDLYCG-UWVGGRQHSA-N 318.333 -0.202 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H](NC(=O)c2cn(C)c(=O)cn2)C1 951868850 XHMLCISQHGWXRZ-QWRGUYRKSA-N 317.349 -0.339 30 20 DBED CC#CCN1C[C@H](O)[C@H](CNC(=O)c2c(C)nn(C)c2OC)C1 958447866 KBGJIKLSPNFMHS-OLZOCXBDSA-N 320.393 -0.217 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2cnc3n[nH]c(C)c3c2)C1 958672230 KDLMUNCMRQQBQP-TZMCWYRMSA-N 313.361 -0.078 30 20 DBED C#CCN1C[C@H]2C(NC(=O)c3ccccc3OCC(N)=O)[C@@H]2C1 960928180 HAKNWCKMFFIFGB-CHWSQXEVSA-N 313.357 -0.156 30 20 DBED C#Cc1ccc(C(=O)N2C[C@H]3CN(C(=O)C(N)=O)C[C@H]3C2)cn1 962015894 XONWUAOMOVAHHN-TXEJJXNPSA-N 312.329 -0.921 30 20 DBED N#CCN1CCC[C@H]1[C@@H]1CCCN(C(=O)Cn2ncnn2)C1 963300368 BPTUKOVBGIVMOG-OLZOCXBDSA-N 303.370 -0.100 30 20 DBED C#Cc1ccc(C(=O)N2CCC[C@@H](NC(=O)C(N)=O)CC2)cn1 965142657 OIBUXDUXEDSUJA-CYBMUJFWSA-N 314.345 -0.341 30 20 DBED C#Cc1cncc(C(=O)N2C[C@@H](C)[C@@H](NC(=O)C(N)=O)C2)c1 966817015 JZWJINDNYYQKRV-SKDRFNHKSA-N 300.318 -0.875 30 20 DBED C#CCN1CC[C@@H](C)[C@@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)C1 968614809 NTOFPWXZOJWCIK-NEPJUHHUSA-N 320.393 -0.223 30 20 DBED COc1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)ccn1 968679705 OHCJZJZNWQTRGU-WCQGTBRESA-N 318.333 -0.449 30 20 DBED C=CCN1C[C@H]2CC[C@H]1CN2C(=O)[C@H]1CCN(C)S1(=O)=O 971911595 HOGBHTUAMPKKIB-YNEHKIRRSA-N 313.423 -0.119 30 20 DBED Cc1[nH]nc(C(=O)N2CC[C@@]3(CN(CC#N)CCO3)C2)c1O 972347790 ZVBVSNPLJMYAOQ-CQSZACIVSA-N 305.338 -0.136 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)CCN3CCOCC3)C2)C1 972598628 HFOQXFXPBQNIJN-QGZVFWFLSA-N 321.421 -0.355 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)C[C@H]3CCC(=O)N3C)[C@H]2C1 976938299 IEOWPORKTUPNCU-CYRTVHNOSA-N 318.377 -0.270 30 20 DBED C=CCN1C[C@@H]2CC[C@H](NC(=O)CN3CC(=O)NC3=O)C[C@H]2C1 980192350 GOVPYHWOCBFSBD-AVGNSLFASA-N 320.393 -0.059 30 20 DBED Cc1nnc(CC(=O)NC2CN(C(=O)c3ccc(C#N)[nH]3)C2)o1 991164801 AKAFBYQICJRYBP-UHFFFAOYSA-N 314.305 -0.239 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)C3CC3)C[C@@H]2O)[nH]1 991403186 PHEDENIMZDZEAO-AAEUAGOBSA-N 302.334 -0.012 30 20 DBED COCCn1cc(C(=O)NC2CN(C(=O)[C@@H](C)C#N)C2)c(C)n1 991504866 BMIGIWJYIMJBHJ-JTQLQIEISA-N 319.365 -0.062 30 20 DBED O=C1CC[C@@H](N[C@@H]2CCCN(C(=O)C#CC3CC3)C2)C(=O)N1 999130565 WPGABSBXOHLVKK-CHWSQXEVSA-N 303.362 -0.214 30 20 DBED N#CCN1CC[C@@H](n2cc(CNC(=O)c3cccnn3)nn2)C1 1000031906 CHKPFHVWJSZQQG-GFCCVEGCSA-N 312.337 -0.232 30 20 DBED C#CCN1CCC(NC(=O)c2cc(=O)n3[nH]cnc3n2)CC1 1003963260 ZAWGEFJCEPRHQX-UHFFFAOYSA-N 300.322 -0.755 30 20 DBED C=C1CC(C)(C(=O)N2CC([C@H](C)NC(=O)[C@@H]3CNC(=O)N3)C2)C1 1006744665 GIDKRZDKSLZKGN-JQWIXIFHSA-N 320.393 -0.013 30 20 DBED C=C(C)CCN1CCC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 1007371243 GDCCQQIOJCMCRC-LBPRGKRZSA-N 320.397 -0.076 30 20 DBED O=C1CC[C@H](C(=O)NCC2[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]23)N1 1008895190 ZHRQIOZXOJGFBG-MELADBBJSA-N 315.373 -0.501 30 20 DBED N#Cc1cc(C(=O)N2CCN(C(=O)[C@@H]3COC(=O)N3)CC2)c[nH]1 1011025860 HKJFXMLVCSQTJY-NSHDSACASA-N 317.305 -0.721 30 20 DBED C[C@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(CCN1CCNC1=O)C2 1017422975 PDUGOQYBLRNKPB-AGIUHOORSA-N 305.382 -0.154 30 20 DBED CC#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1ncn(C)c1=O 1017687911 VUBCDQRGVVUUGZ-BETUJISGSA-N 303.366 -0.720 30 20 DBED C=CCn1cc(C(=O)N[C@H]2C[C@H](N[C@H]3CCN(C)C3=O)C2)nn1 1020700488 QVALKNDPXFEUTO-SRVKXCTJSA-N 318.381 -0.455 30 20 DBED N#CCN[C@H]1C[C@@H](NC(=O)Cn2nc3ccccn3c2=O)C1 1022518440 NMNKGCJSQXDALZ-PHIMTYICSA-N 300.322 -0.744 30 20 DBED CC(C)(O)CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 1023466067 PFVBUQJVRBCZFP-VXGBXAGGSA-N 320.349 -0.651 30 20 DBED N#CCN1CCC[C@H](CNC(=O)[C@H]2CCc3nnnn3CC2)C1 1023605451 ZYUONLQCSCWASV-OLZOCXBDSA-N 317.397 -0.023 30 20 DBED N#CCN1[C@H]2CC[C@H]1CN(C(=O)c1ccc(-n3cnnn3)cn1)C2 1029407195 CRSOVFZDCPMRRJ-STQMWFEESA-N 324.348 -0.130 30 20 DBED CNC(=O)[C@@H](C)N1CCO[C@@H](CNC(=O)c2c[nH]c(C#N)c2)C1 1035338651 PSWDMORGAHGMIP-MFKMUULPSA-N 319.365 -0.549 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H]1CN(CCOC)CCO1 1035401304 YSEDMQPDZXHITK-GJZGRUSLSA-N 309.410 -0.453 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CN(CC(=O)NC)CCO1 1035511636 XFUMRFDPWJMVDX-XQQFMLRXSA-N 311.382 -0.860 30 20 DBED Cn1cc(C(=O)N2CC[C@@H]3[C@@H](CCN3CC#N)C2)c(O)nc1=O 1036893247 OCKXQOFFUGYLJY-CMPLNLGQSA-N 317.349 -0.454 30 20 DBED C[C@@H](c1nnnn1C)N1CC[C@H]1CNC(=O)c1c[nH]c(C#N)c1 1038175282 NRZOVSTWOLHYKD-CABZTGNLSA-N 314.353 -0.025 30 20 DBED N#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC(=O)NC(=O)N1 1039444494 GZNWKIWKCMKHPF-VWYCJHECSA-N 305.338 -0.827 30 20 DBED Cc1c[nH]nc1C(=O)NC[C@]1(O)CCN(C(=O)[C@H](C)C#N)C1 1039668958 DOJYPDGBJCLAJH-YMTOWFKASA-N 305.338 -0.429 30 20 DBED CC(C)C#CC(=O)N1CC[C@@](O)(CNC(=O)[C@H]2CCN(C)C2)C1 1039760957 WVKOSQDXHQKOEU-WMLDXEAASA-N 321.421 -0.323 30 20 DBED N#CCN1CCC[C@]2(CCN(C(=O)CN3C(=O)CCC3=O)C2)C1 1040523622 ZKUQTUMDJOOITK-INIZCTEOSA-N 318.377 -0.027 30 20 DBED Cc1cc(C(=O)N2CC[C@](O)(CNC(=O)[C@@H](C)C#N)C2)on1 1040762342 HICOPUQYULIJFM-XPTSAGLGSA-N 306.322 -0.164 30 20 DBED Cc1ncoc1C(=O)N1CC[C@](O)(CNC(=O)[C@H](C)C#N)C1 1040763171 NWOVLNJEILYZNV-OTYXRUKQSA-N 306.322 -0.164 30 20 DBED C[C@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)c2cccc(O)n2)C1 1040763222 NYEMXNXXXIUFTD-MEBBXXQBSA-N 318.333 -0.360 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)CCCCC(N)=O)C1 1040913522 CRPSRCATPXVZGI-ABAIWWIYSA-N 324.381 -0.729 30 20 DBED C#CCCN1CC[C@]2(CCN(C(=O)[C@H]3CN(C)C(=O)N3)C2)C1 1041544421 NPQLMWNYOMIKBO-CJNGLKHVSA-N 304.394 -0.042 30 20 DBED Cn1nc(C(=O)N2CC[C@@H]3CCN(CC#N)[C@H]3C2)ccc1=O 1042344000 QLQNZDQPTJVVCX-AAEUAGOBSA-N 301.350 -0.160 30 20 DBED Cc1cc(CC(=O)NCC2(O)CN(C(=O)C#CC3CC3)C2)n[nH]1 1042482211 XAUXOFDNZWXFKJ-UHFFFAOYSA-N 316.361 -0.636 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)[C@@H](C)n2cncn2)C1 1042644915 VGDNQKXLRYGLHF-GFCCVEGCSA-N 319.365 -0.812 30 20 DBED C[C@@H]1CCN(CC(=O)N2CC(O)(CNC(=O)C#CC3CC3)C2)C1 1042963711 SROACKSHLIPVQB-CYBMUJFWSA-N 319.405 -0.569 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)[C@H]2CN3CCC2CC3)C1 1043179863 HCILXFOCTDAQGF-AWEZNQCLSA-N 321.421 -0.016 30 20 DBED C=CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)[C@@H](C)OCC)C1 1043571196 MLRCDPLVEXKEPM-NWDGAFQWSA-N 314.382 -0.308 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)CC[C@H]2CCCN2C)C1 1043659166 GXDGXAXFXUAXPA-QWHCGFSZSA-N 322.409 -0.290 30 20 DBED C=C(C)C[C@H](C)C(=O)N1CC(O)(CNC(=O)C2(C(N)=O)CC2)C1 1045493632 IPYIWXQSIKRJII-NSHDSACASA-N 323.393 -0.456 30 20 DBED Cc1ncc(CC(=O)N2CC(O)(CNC(=O)[C@@H](C)C#N)C2)o1 1045553039 ZLDIFPCZDLDEGA-VIFPVBQESA-N 306.322 -0.625 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)[C@H](C)Cc2cnc[nH]2)C1 1045554802 JWQQXSQRKFJJBI-GHMZBOCLSA-N 319.365 -0.563 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)CN2CC[C@@H](C)C2)C1 1046677693 XXEHWXBJUPQUKT-CQSZACIVSA-N 321.421 -0.323 30 20 DBED N#CCN1C[C@H]2C[C@@H](NC(=O)CN3CCOCC3=O)C[C@H]1C2 1047090281 ZIDAGDGEKZPFDV-YNEHKIRRSA-N 306.366 -0.662 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccn(C)c(=O)c2)C1 1047432355 MAXLHBOEAWSTLV-KBPBESRZSA-N 303.362 -0.474 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2c(C)nn3cccnc23)C1 1047631990 UDCMRZZJSRNSTO-STQMWFEESA-N 313.361 -0.212 30 20 DBED C=CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CN(CC)CCO2)C1 1047633913 RKKRELMZMKWECU-KKUMJFAQSA-N 311.426 -0.213 30 20 DBED CCCN(C)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)C#N)C1 1049394170 IDATXUSJDHMEBP-AGIUHOORSA-N 310.398 -0.482 30 20 DBED C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCS(=O)(=O)N1 1049901204 XPFHJSUTXIRJQT-FRRDWIJNSA-N 313.423 -0.071 30 20 DBED C#CCCCC(=O)N1CC[C@@H]([C@@H](C)NC(=O)CNC(N)=O)C1 1050579743 DPFBDQBAFLJZHK-VXGBXAGGSA-N 308.382 -0.189 30 20 DBED COc1c(C(=O)NC[C@H]2COCCN2CC#N)c(C)nn1C 1051145163 HELQAHOWXMJYMT-NSHDSACASA-N 307.354 -0.309 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)[C@@H]1CCc2nncn2C1 1051254352 HMXIYCMHRXUAJX-CHWSQXEVSA-N 303.366 -0.709 30 20 DBED C=CCN1CCN([C@@H]2CCN(C(=O)[C@@H]3CCNC(=O)C3)C2)CC1 1052011400 SEPPJQMGECNKKJ-HUUCEWRRSA-N 320.437 -0.083 30 20 DBED Cc1nc(CN2CC3(C2)CN(C(=O)[C@H](C)C#N)CCO3)n[nH]1 1053191912 VMRXJMRMHXTCEF-SNVBAGLBSA-N 304.354 -0.314 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)C[C@@H]1CCCC(=O)N1)CCO2 1053333951 LNSSDUFNSZMKNU-AWEZNQCLSA-N 319.405 -0.018 30 20 DBED C#CCN1CC2(CC[C@H](CNC(=O)c3c[nH]c(C(N)=O)c3)O2)C1 1053698735 UASDQPPWANQEBX-GFCCVEGCSA-N 316.361 -0.290 30 20 DBED C=C(Br)CN1CC2(C[C@@H](NC(=O)C(N)=O)CO2)C1 1053911862 OLALELYLFKSBEV-MRVPVSSYSA-N 318.171 -0.660 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)[C@]3(C)CCNC3=O)CO2)C1 1053925192 GXCWQVIVEZQYPF-IUODEOHRSA-N 305.378 -0.505 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)C(=O)N3CC[C@H](C)C3)CO2)C1 1053979848 CAOMRPYAGCDMQK-UONOGXRCSA-N 319.405 -0.162 30 20 DBED C=C(C)CN[C@H]1CN(C(=O)CN2CCN(C)C(=O)C2)C[C@H]1C 1054814836 AGWSKEILMGVADG-KGLIPLIRSA-N 308.426 -0.227 30 20 DBED CN1CCO[C@@H](C(=O)N2CCN(c3ccc(C#N)nn3)CC2)C1 1055750619 ASVYDWJMATYCOQ-CYBMUJFWSA-N 316.365 -0.673 30 20 DBED C[C@H](C(=O)N[C@H]1[C@@H]2CN(c3ccc(C#N)nn3)C[C@@H]21)n1cncn1 1056167633 CWNIPUBQPDTPRP-WUWHUORYSA-N 324.348 -0.248 30 20 DBED Cn1cc(C(=O)N[C@H]2[C@@H]3CN(c4cnc(C#N)cn4)C[C@@H]32)nn1 1056198070 JESQFDMZTBEORL-IWIIMEHWSA-N 310.321 -0.659 30 20 DBED N#Cc1cnc(N2C[C@@H]3C(NC(=O)C(N)=O)[C@H]3C2)c(Cl)c1 1056382541 ORSPHLKUHMRZTA-YUMQZZPRSA-N 305.725 -0.357 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)C[C@](C)(O)C1CC1 1057375918 ASMLBIXEQORRCL-ABAIWWIYSA-N 311.382 -0.366 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)c1cc(=O)n(C)o1 1057517319 PWVSDDJXMKMQRZ-UHFFFAOYSA-N 323.349 -0.812 30 20 DBED O=C(NCCN(CCO)C(=O)C#CC1CC1)c1cnccn1 1057531053 CYDGMEBEUNXEGM-UHFFFAOYSA-N 302.334 -0.559 30 20 DBED O=C(C#CC1CC1)NCCN(CCO)C(=O)[C@H]1CCCC(=O)N1 1057893429 ZVRKHDFCKZLMHR-CYBMUJFWSA-N 321.377 -0.994 30 20 DBED N#Cc1nccc(N2CC[C@H](NC(=O)c3cncnc3O)C2)n1 1058476402 ROWXYSZGVLPPRQ-VIFPVBQESA-N 311.305 -0.147 30 20 DBED C=CCO[C@@H](C)C(=O)NCC[C@@H]1CCN(C(=O)CC(N)=O)C1 1059383237 QBEJXSOTMYHICX-NWDGAFQWSA-N 311.382 -0.192 30 20 DBED C=CCOCC(=O)NCC[C@@H]1CCN(C(=O)c2cnn[nH]2)C1 1059901491 JHMIOHMTNVRIFB-LLVKDONJSA-N 307.354 -0.024 30 20 DBED C=CCCC(=O)N1CCOC[C@@H]1CNC(=O)[C@H](C)NC(C)=O 1061241088 OLRCXBWBRMDYHM-AAEUAGOBSA-N 311.382 -0.179 30 20 DBED C=CCCOCC(=O)N1CCOC[C@H]1CNC(=O)c1cn[nH]c1 1061346872 TXYQFQMTCQTADF-CYBMUJFWSA-N 322.365 -0.040 30 20 DBED C=CCOCC(=O)NC[C@H]1COCCN1C(=O)c1cn[nH]c1 1061421821 VLHZNQGJBSXHDM-LBPRGKRZSA-N 308.338 -0.431 30 20 DBED C#CCNC(=O)CC(=O)N1CCOC[C@@H]1CNC(=O)/C(C)=C/C 1061481343 GJFNYGAGNAPOBC-YFTXEMMHSA-N 321.377 -0.564 30 20 DBED C=CCCC(=O)N1CCOC[C@H]1CNC(=O)[C@@H]1CCC(=O)NC1 1061695220 YOEMIIYDOZNJDB-CHWSQXEVSA-N 323.393 -0.178 30 20 DBED N#Cc1nccc(N2C[C@@H]3C[C@H]2CN3C(=O)Cn2nccn2)n1 1062534472 GLUDUBSJSXOHOC-QWRGUYRKSA-N 310.321 -0.571 30 20 DBED C=CCOCC(=O)NC1(CNC(=O)[C@@H]2CCNC2=O)CCC1 1063907026 JGTCYNILFLKXAX-LLVKDONJSA-N 309.366 -0.520 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCO[C@H](CNC(=O)COC)C1 1065097073 OELISBSEXMPIBL-RISCZKNCSA-N 300.355 -0.697 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)[C@@H]2CN(C)C(=O)N2)CCO1 1065420948 PJJAELHEYLCBCC-RYUDHWBXSA-N 324.381 -0.680 30 20 DBED C=CC(C)(C)C(=O)NC[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)CCO1 1065541872 ZKGOKRCAVJEHNF-GHMZBOCLSA-N 324.381 -0.776 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CCCN(C(=O)c2nc[nH]n2)CC1 1066173935 XZNFGDPJHNEOLL-NWDGAFQWSA-N 319.365 -0.046 30 20 DBED N#Cc1nccnc1N1C[C@@H]2CCCN(C(=O)C(N)=O)[C@@H]2C1 1066245844 YAIHDLANOGLEAH-GXSJLCMTSA-N 300.322 -0.739 30 20 DBED N#Cc1nccnc1NC[C@H]1CC[C@H](NC(=O)C(N)=O)CC1 1066443404 HFNKDBGCKJHQFJ-MGCOHNPYSA-N 302.338 -0.080 30 20 DBED C=CCOCC(=O)N1CCC[C@@H](NC(=O)C2(C(N)=O)CC2)CC1 1066461356 YNNNUONLQRFRQZ-GFCCVEGCSA-N 323.393 -0.048 30 20 DBED N#Cc1nccc(N2C[C@@H](O)[C@@H](CNC(=O)c3ccccn3)C2)n1 1067643447 WNRSGAYVNOFITO-WCQYABFASA-N 324.344 -0.030 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1COC2(C1)CN(C(=O)C1CC1)C2 1068868907 UOFWWXSJSGIJJI-AAEUAGOBSA-N 306.362 -0.079 30 20 DBED C#CCOCCC(=O)NC1(CC)CCN(C(=O)C(N)=O)CC1 1069574974 CIBZJGWYMTZNMO-UHFFFAOYSA-N 309.366 -0.601 30 20 DBED Cn1cnc(C(=O)NCc2cnn3c2CN(CC#N)CC3)n1 1069859709 JUUTZXYKIMOPSG-UHFFFAOYSA-N 300.326 -0.719 30 20 DBED CC(C)(C)C#CC(=O)NC1(CNC(=O)C(N)=O)CCOCC1 1070113290 PVQYYFAGMKDXBZ-UHFFFAOYSA-N 309.366 -0.697 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)C2(C(N)=O)CC2)CCOCC1 1070232636 NOIHXSRTPANSKU-SNVBAGLBSA-N 322.365 -0.807 30 20 DBED C[C@@H](CC(N)=O)C(=O)NCC1(NC(=O)[C@H](C)C#N)CCOCC1 1070234304 SAJXJNZSZKEXMV-WDEREUQCSA-N 324.381 -0.561 30 20 DBED CN1CCC(C(=O)N2CCC(=O)NCCN(CC#N)CC2)CC1 1070994948 KFJKXJAHKISLCN-UHFFFAOYSA-N 321.425 -0.498 30 20 DBED C#CCOCCC(=O)N[C@H]1CN(C(=O)CNC(C)=O)C[C@@H]1C 1071509307 BJHXECWGBGHKIP-AAEUAGOBSA-N 309.366 -0.875 30 20 DBED C[C@H]1CN(C(=O)CSCC#N)C[C@H]1NC(=O)Cn1nccn1 1071661222 HJPIJEIGAVCXFL-WDEREUQCSA-N 322.394 -0.502 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H](C)[C@H](NC(=O)CCCOC)C1 1071932921 OTWLPBUEHKDNCR-QWHCGFSZSA-N 323.393 -0.484 30 20 DBED C#CCOCCC(=O)N1C[C@H](C)[C@@H](NC(=O)CC(=O)NC)C1 1072097721 QCNTXVFPUOAWPK-RYUDHWBXSA-N 309.366 -0.875 30 20 DBED C=C1CC(C)(C(=O)N2C[C@@H](C)[C@@H](NC(=O)CNC(N)=O)C2)C1 1072698407 LWNYVPQKGMWQIW-MNOVXSKESA-N 308.382 -0.026 30 20 DBED C[C@H](C#N)C(=O)NC1(C)CCN(C(=O)C2(NC(N)=O)CC2)CC1 1072959522 YMMRAPAMQPHPBT-SNVBAGLBSA-N 321.381 -0.156 30 20 DBED CC(C)(C)n1nnc(C(=O)NC[C@@H]2CN(CC#N)CCCO2)n1 1073611438 WWGOSLLJSUIRJT-LLVKDONJSA-N 321.385 -0.228 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)[C@@H]2CCCC(=O)N2C)C1 1073873834 LRYGUHSNOSMHMH-KBPBESRZSA-N 307.394 -0.162 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CCN(C(=O)CCN(C)C)CC1 1074713404 UCJCILQINKSLEN-LBPRGKRZSA-N 310.398 -0.433 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](NC(=O)CC(=O)NC)C[C@H]1C 1074952304 BHFQUQGQZIDCHP-CHWSQXEVSA-N 323.393 -0.342 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]2CN(Cc3nc(=O)n(C)[nH]3)C[C@H]21 1075621175 QQFUDMKRWCUCHH-OUAUKWLOSA-N 304.354 -0.699 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)[C@@H]1CC1(F)F 1076219237 ZHVLHYIXIKLBKG-UWVGGRQHSA-N 315.320 -0.208 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2c[nH]nc2-c2ccccn2)C1 1077110213 HQKBVBLZVVZXHK-CHWSQXEVSA-N 312.333 -0.230 30 20 DBED C[C@@H](CCNC(=O)[C@@H]1CN(C)C(=O)N1)NC(=O)C#CC1CC1 1077734659 DVZDMJSOUNWZCC-JQWIXIFHSA-N 306.366 -0.566 30 20 DBED C[C@@H](C#N)C(=O)N1CCCO[C@@H](CNCc2nncn2C)C1 1078359715 CHNGGYHKZIHORZ-RYUDHWBXSA-N 306.370 -0.318 30 20 DBED C=CCOCC(=O)N1CC(N(CC)C(=O)C[C@H]2CCC(=O)N2)C1 1080078858 FHRKQURTIRNWMC-GFCCVEGCSA-N 323.393 -0.083 30 20 DBED N#CCN[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)C[C@H]1c1ccccc1 1081170913 VCLSFUGODFEIPT-BFHYXJOUSA-N 313.361 -0.224 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)c2cc(=O)n(C)o2)C[C@@H]1O 1081336529 ZRJSODWBXMEEBR-QWRGUYRKSA-N 323.349 -0.506 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](CNC(=O)Cn2cncn2)[C@@H](O)C1 1081787247 CTDHIZHWRLBDKZ-RYUDHWBXSA-N 321.381 -0.574 30 20 DBED C#CCN1C[C@@H](NC(=O)c2cnc(OCC)cn2)[C@H](OC)C1 1082398673 MUKCEUVWSJSYHQ-CHWSQXEVSA-N 304.350 -0.063 30 20 DBED C=CCN[C@@H]1CN(C(=O)C2CC3(C2)NC(=O)NC3=O)C[C@H]1C 1082800919 GDRPEJRMXNRQOM-GPZIFOQPSA-N 306.366 -0.403 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CCc2nc[nH]c2C1 1083243294 UUZIMJFIMJUWHT-BYCMXARLSA-N 315.377 -0.050 30 20 DBED CC(C)(C)n1cccc(C(=O)N[C@@H]2CN(CC#N)C[C@@H]2O)c1=O 1083844216 VDXNFZUIXSDXGO-OLZOCXBDSA-N 318.377 -0.098 30 20 DBED C=CCN1CC[C@@H]2CN(C(=O)c3cn(C)c(=O)nc3O)[C@@H]2C1 1084828616 QAJDVGDIUQTKGX-ZYHUDNBSSA-N 304.350 -0.182 30 20 DBED Cn1cnc(C(=O)N2C[C@@H](NCC#N)[C@H](c3cnn(C)c3)C2)c1 1086975656 YXCAWTUQGMTCOV-QWHCGFSZSA-N 313.365 -0.125 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2cncn2C)C[C@H]1c1cnn(C)c1 1086986426 OOLZWYZMICPCQG-UONOGXRCSA-N 312.377 -0.015 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)CC2CS(=O)(=O)C2)[C@H](O)C1 1090372046 PFIHVGCZOZTVIW-QWHCGFSZSA-N 316.423 -0.451 30 20 DBED CCCCOCC(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1O 1090388458 XYADDQJZRWVKAJ-VXGBXAGGSA-N 319.365 -0.169 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@H]1O 1090490089 KVPDCBGYBKUWTO-NJZAAPMLSA-N 314.345 -0.343 30 20 DBED C#CCNC1CC(CNC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 1091026530 PDNYXLNXFYMORZ-CPCZMJQVSA-N 315.377 -0.120 30 20 DBED C[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1CCNC(=O)CC(N)=O 1092492415 UVMWPVJCUUUALE-GHMZBOCLSA-N 316.365 -0.198 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)c3ncn(C)n3)CC2=O)C1 1094735326 KTJPRGGWUABVKL-SNVBAGLBSA-N 304.354 -0.984 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](N(C)c2cc(C)ncn2)C1 1095111709 ZKWQHLGPOGSJMZ-CYBMUJFWSA-N 315.377 -0.038 30 20 DBED C[C@H](NC(N)=O)C(=O)N1CCC(Nc2cncc(C#N)n2)CC1 1095225178 DCWIJELJKTWBQB-VIFPVBQESA-N 317.353 -0.192 30 20 DBED CC(=O)NCC(=O)N(C)C1CCN(c2ccc(C#N)nn2)CC1 1096094481 ZQEJKQJOOKIUDS-UHFFFAOYSA-N 316.365 -0.088 30 20 DBED CNC(=O)NCC(=O)N[C@H]1CCCN(c2ccnc(C#N)n2)C1 1096239448 HPFHTGQJBDRYQY-JTQLQIEISA-N 317.353 -0.638 30 20 DBED CCC(=O)NCC(=O)N[C@@H]1CCN(c2ccc(C#N)nn2)C1 1096331432 OIPXOEALXSDDTK-LLVKDONJSA-N 302.338 -0.431 30 20 DBED COCCOCCC(=O)N1CC[C@H](N=c2cc[nH]c(C#N)n2)C1 1096945572 AZCBAQQQMLXMDQ-LBPRGKRZSA-N 319.365 -0.164 30 20 DBED COC(=O)NCC(=O)N[C@H]1C[C@H](Nc2cnc(C#N)cn2)C1 1096990482 YHZCDTMYITVXJB-KYZUINATSA-N 304.310 -0.237 30 20 DBED C#CCCN(CCO)C1CCN(C(=O)[C@H]2CCNC2=O)CC1 1098448596 IIDOIGKRONNRBJ-AWEZNQCLSA-N 307.394 -0.569 30 20 DBED N#Cc1nccnc1N[C@H]1CCC[C@H](NC(=O)CNC(N)=O)C1 1098589864 OUCBOQJBYFEWTJ-UWVGGRQHSA-N 317.353 -0.144 30 20 DBED CNC(=O)CCCC(=O)NCC[C@H](C)N=c1cc[nH]c(C#N)n1 1098988872 HCCXRZWVWQZFLP-NSHDSACASA-N 318.381 -0.007 30 20 DBED C[C@@H](CCNC(=O)[C@H]1CNC(=O)N1)Nc1nccnc1C#N 1099682610 MDWKXKHBMQMTEK-WCBMZHEXSA-N 303.326 -0.664 30 20 DBED CCNC(=O)CN1CC[C@@H](NC(=O)C#CC(C)(C)C)[C@@H](O)C1 1099829397 FAVVXUREKWWVEH-OLZOCXBDSA-N 309.410 -0.277 30 20 DBED CC(C)(C)C#CC(=O)N[C@H]1CCN(CCOCCO)C[C@@H]1O 1099829816 IWJREVKSRKGQRP-KBPBESRZSA-N 312.410 -0.404 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)c2cncn2C)[C@@H](O)C1 1099906036 IBUAVGYSPMZMRU-JSGCOSHPSA-N 308.382 -0.212 30 20 DBED CC#CCN1CC[C@H](NC(=O)CCN2C(=O)CCC2=O)[C@@H](O)C1 1099909754 XILHLVRWTUPCLR-STQMWFEESA-N 321.377 -0.900 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)Cc2cnoc2)[C@H](O)C1 1099962757 TZVHNOXCLGVEGG-ZIAGYGMSSA-N 307.350 -0.582 30 20 DBED Cc1nn(C)cc1CCC(=O)N[C@@H]1CCN(CC#N)C[C@@H]1O 1100024290 HBIKCGAWOXGPIH-KGLIPLIRSA-N 305.382 -0.264 30 20 DBED CC(C)CC(=O)NCCC(=O)N[C@@H]1CCN(CC#N)C[C@H]1O 1100143572 WVZXAEOUOCJNKM-CHWSQXEVSA-N 310.398 -0.386 30 20 DBED Cc1cc(C#N)nc(N(C)CCNC(=O)[C@]2(C)CNC(=O)C2)n1 1100247252 YKPQXBBJKPAOJR-HNNXBMFYSA-N 316.365 -0.265 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)c2nc(C)c[nH]2)C1 1100744278 QDYKWFCYBNLUSM-UHFFFAOYSA-N 303.366 -0.434 30 20 DBED CNC(=O)NCC(=O)NC[C@H]1CCCN1c1cncc(C#N)n1 1100915188 NHWWONVMUSHUJD-LLVKDONJSA-N 317.353 -0.638 30 20 DBED C=C[C@](C)(O)CC(=O)N(C)CCNc1ncnc2c1nnn2C 1101586159 SRAAALXWWWQCFV-AWEZNQCLSA-N 319.369 -0.044 30 20 DBED Cc1nsc(NCCN(C)C(=O)Cn2ncnn2)c1C#N 1101800615 UBUGJSHNFOPHIR-UHFFFAOYSA-N 306.355 -0.120 30 20 DBED CN(C[C@H]1CCN(C(=O)CNC(N)=O)C1)c1ccc(C#N)nn1 1102428174 TYBSWENXTNCMIH-SNVBAGLBSA-N 317.353 -0.699 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1CNC(=O)CCCN1C(=O)CNC1=O 1102561537 FZJONQABHXLEKI-VXGBXAGGSA-N 321.381 -0.474 30 20 DBED CCN(C(=O)CC(=O)NC)[C@H]1CCN(c2ccc(C#N)nn2)C1 1102795244 CGEXRRXHOVCOGZ-LBPRGKRZSA-N 316.365 -0.088 30 20 DBED CC[C@@H](CNC(=O)C1(C(N)=O)CC1)Nc1cnc(C#N)cn1 1103281682 OYKLSPNXRLECPE-VIFPVBQESA-N 302.338 -0.080 30 20 DBED CNS(=O)(=O)CC(=O)NCC[C@@H]1CN(CC#N)C[C@H]1C 1103733972 SQYNXZPVCYKBNS-GHMZBOCLSA-N 302.400 -0.867 30 20 DBED C[C@H](CNC(=O)CCn1cnnn1)CNc1nccnc1C#N 1104047811 UAWSTXKCIHBBCD-SNVBAGLBSA-N 315.341 -0.411 30 20 DBED CC[C@H](NC(C)=O)C(=O)NC[C@H](C)CN=c1cc[nH]c(C#N)n1 1104210662 WBQRJIUGTBPZST-PWSUYJOCSA-N 318.381 -0.151 30 20 DBED C[C@@H](CNc1nccnc1C#N)N(C)C(=O)[C@H]1CCNC1=O 1104763491 HPRBMNFBUSZTCP-UWVGGRQHSA-N 302.338 -0.257 30 20 DBED CC(=O)N[C@H](C)C(=O)NC[C@@H](O)CNc1ccc(C#N)nc1 1105734859 FRMVMOUHYXPOMR-RNCFNFMXSA-N 305.338 -0.633 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)[C@H]2COCCN2C)C[C@H]1C 1106023050 ZBCXWRMDHCUXLY-BZUAXINKSA-N 323.437 -0.349 30 20 DBED N#Cc1nc(=NC[C@H](O)CNC(=O)CCc2cnc[nH]2)cc[nH]1 1106150105 LGFDGUPYDGFYAH-NSHDSACASA-N 315.337 -0.985 30 20 DBED C=CCCNC[C@@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@H]1C 1106151759 YZYYYTOLFODRON-VXGBXAGGSA-N 320.397 -0.363 30 20 DBED CCN(CCNc1nccnc1C#N)C(=O)[C@H]1CN(C)CCO1 1106709940 NYKJRQNFCKXHLM-CYBMUJFWSA-N 318.381 -0.061 30 20 DBED C#CCNC[C@@H]1CN(C(=O)[C@@H](CCC(N)=O)NC(C)=O)C[C@H]1C 1106770136 UMGPWSDWMNASDB-MRVWCRGKSA-N 322.409 -0.926 30 20 DBED C=CCNC(=O)CN1CCO[C@](C)(CNC(=O)c2ccon2)C1 1107773282 LCIAUKPGLFUAFE-OAHLLOKOSA-N 322.365 -0.203 30 20 DBED C=CCCN1CCO[C@@](C)(CNC(=O)C[C@@H]2NC(=O)NC2=O)C1 1108001487 FVEDIZLZHZIHMN-NHYWBVRUSA-N 324.381 -0.632 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)[C@@H]1CCC(=O)NC1 1108204295 YOPPLUAPJVHQPB-NXEZZACHSA-N 302.338 -0.787 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H](C)CN(C)c1ccc2nnnn2n1 1109102061 LFCSBVCOUJETOO-GHMZBOCLSA-N 317.353 -0.502 30 20 DBED C[C@H](CN(C)c1ccnc(C#N)n1)NC(=O)C1(C(N)=O)CC1 1109217490 PSXCXMTVCHRDIZ-SECBINFHSA-N 302.338 -0.445 30 20 DBED N#Cc1nccnc1NC[C@@H](NC(=O)Cn1cncn1)C1CC1 1109848874 VDZZXLOBGWTGPR-GFCCVEGCSA-N 312.337 -0.053 30 20 DBED N#Cc1cncc(NC2(CNC(=O)CN3CCOCC3)CC2)n1 1110096798 GDFWVQKLJQQUSM-UHFFFAOYSA-N 316.365 -0.259 30 20 DBED C[C@H](NC(N)=O)C(=O)NCC1(Nc2cncc(C#N)n2)CC1 1110104578 DQVVKYSQGAUXTM-QMMMGPOBSA-N 303.326 -0.534 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H]1CCNC(=O)C1 1110441369 OKDLPVKQSGGKBK-TUVASFSCSA-N 319.405 -0.116 30 20 DBED C#CCN(C(=O)C(N)=O)C1CCN(c2ccc(C)nn2)CC1 1110628687 MWADKPCRKOQYJK-UHFFFAOYSA-N 301.350 -0.299 30 20 DBED N#Cc1cncc(N2CC[C@](O)(CNC(=O)C#CC3CC3)C2)n1 1111070637 HJDWPIXKEVOLQD-INIZCTEOSA-N 311.345 -0.181 30 20 DBED C[C@H]1CN(C(=O)CNC(N)=O)C[C@@H]1CNc1nccnc1C#N 1111241039 NOCSPWZZLIPKMX-UWVGGRQHSA-N 317.353 -0.477 30 20 DBED N#Cc1ccc(NCCN(CCO)C(=O)[C@H]2CCCO2)nn1 1111413022 QRGDGHXOTIRDCC-GFCCVEGCSA-N 305.338 -0.240 30 20 DBED CN1CC[C@@H](C(=O)N(CCO)CCN=c2cc[nH]cc2C#N)C1 1111475610 XQOBMLDDIQOMON-CYBMUJFWSA-N 317.393 -0.440 30 20 DBED N#Cc1c(F)cccc1N1CCOC[C@H]1CNC(=O)CC(N)=O 1111679163 GDJVJGJXFCFEQE-SNVBAGLBSA-N 320.324 -0.106 30 20 DBED CC#CCN[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)C[C@H]1C(F)(F)F 1112154493 OFGCTQKOTVIPKZ-KXUCPTDWSA-N 318.299 -0.330 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@H]3C=C[C@H]2C3)CC1 1112601236 KEEWLSQEVMZEFZ-MELADBBJSA-N 302.378 -0.017 30 20 DBED CNC(=O)NC(=O)CN1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 1112749830 LWCQWBSWGIVWLO-UHFFFAOYSA-N 318.337 -0.900 30 20 DBED CC(C)[C@H]1OCC[C@@H]1C(=O)N1CCN(CC(=O)NCC#N)CC1 1112939872 MFIFHYVIAZAMLQ-DZGCQCFKSA-N 322.409 -0.169 30 20 DBED C=CCCN1CCN(C(=O)CNC(=O)Cn2cncn2)CC1 1113679243 JOWDPACKJYETBQ-UHFFFAOYSA-N 306.370 -0.885 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3cnc(C)cn3)[C@H]2C1 1113801381 SAIAHWJQYKFNTQ-JYAVWHMHSA-N 315.377 -0.253 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)Cn3cccn3)[C@H]2C1 1113854837 PGUFYWDTNUYXTI-AVGNSLFASA-N 315.377 -0.933 30 20 DBED Cn1ncc(CN2C[C@@H]3C(NC(=O)CSCC#N)[C@H]3C2)n1 1113891514 TVQZNHUMZHPRDA-QWRGUYRKSA-N 306.395 -0.382 30 20 DBED C#CCOCCC(=O)N[C@H]1[C@@H]2CN([C@H]3CCN(C)C3=O)C[C@@H]21 1114269032 VGMKHXJSENKUGB-SFDCQRBFSA-N 305.378 -0.697 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H]1[C@@H]2CN(Cc3ncnn3CC)C[C@@H]21 1114271379 UXBIFNHHQCLHEM-RMRHIDDWSA-N 317.393 -0.117 30 20 DBED C#CCCN1C[C@H]2[C@H](NC(=O)[C@@H](Cn3cccn3)N(C)C)[C@H]2C1 1114405685 YHVNSGWDTJWZAZ-QXSJWSMHSA-N 315.421 -0.117 30 20 DBED C=CCCN1C[C@H]2C(NC(=O)CS(=O)(=O)CCOC)[C@@H]2C1 1114481136 WCBGSUJOTYARGH-VXGBXAGGSA-N 316.423 -0.330 30 20 DBED C[C@H](C#N)C(=O)NCC1[C@H]2CN(c3nccn4nnnc34)C[C@H]12 1114525930 SOPHHJQPPJWAMK-FBIMIBRVSA-N 312.337 -0.523 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)c3c[nH]nc3C)[C@@H]2C1 1114658599 SQUBVSNNIQIHQJ-VXGBXAGGSA-N 303.366 -0.320 30 20 DBED Cc1ncc(C(=O)N[C@H]2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]32)n1C 1114730769 INPATQWDCIRSKI-YABSGUDNSA-N 316.365 -0.972 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)CCCN(C)C)[C@H]2C1 1114750547 JVNULFCSVZQFPM-VIKVFOODSA-N 306.410 -0.876 30 20 DBED CCC(=O)NCC(=O)N[C@@H](C)CCCN=c1cc[nH]c(C#N)n1 1114868584 GDURSHHULHFMON-NSHDSACASA-N 318.381 -0.007 30 20 DBED C#Cc1ccc(C(=O)NC2[C@H]3CN(CC(=O)NCC#N)C[C@H]23)cn1 1115139640 HAOPFPDDZHBJHR-KBPBESRZSA-N 323.356 -0.637 30 20 DBED C[C@@H](C#N)C(=O)NCCOCCCN=c1cc[nH]c(C#N)n1 1115390696 LKPRDKJDEKZAGV-NSHDSACASA-N 302.338 -0.135 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCC1(NCC(N)=O)CCCCC1 1115577856 MAIHHEZMWQNXEV-AWEZNQCLSA-N 320.437 -0.022 30 20 DBED C[C@H](CN(C)C(=O)CCNC(N)=O)Nc1cnc(C#N)cn1 1115727104 CQKZAOUDXUEZDX-SECBINFHSA-N 305.342 -0.335 30 20 DBED COC[C@H](NC(=O)C(=O)N1CC[C@@](F)(C#N)C1)[C@H]1CCCO1 1117598815 JYHQLCWIZJZBFI-MISXGVKJSA-N 313.329 -0.239 30 20 DBED C=CCNC(=O)Cn1nnnc1N1CCN(CC(C)C)C(=O)C1 1120155819 JCSYRMNBJONECG-UHFFFAOYSA-N 321.385 -0.720 30 20 DBED CC(C)CO[C@@H](C)C(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1 1121159301 SOVDGWMACRHGJJ-RYUDHWBXSA-N 321.381 -0.280 30 20 DBED C#CCCCCC(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1 1121352855 GZVBPZLDTBVQTE-LBPRGKRZSA-N 301.350 -0.147 30 20 DBED CN(C[C@H](O)CNc1nccnc1C#N)C(=O)c1cc[nH]n1 1124045184 FMBREMPBYUDPTF-SECBINFHSA-N 301.310 -0.384 30 20 DBED Cc1ncc(C(=O)N(C)C[C@H](O)CN=c2cc[nH]c(C#N)n2)[nH]1 1124206916 GTDJHMKXGOPXRF-SNVBAGLBSA-N 315.337 -0.653 30 20 DBED C=CCCO[C@@H](C)C(=O)NCCN[C@@H](C)C(=O)NC(=O)NC 1124493972 CWFARWREYVXJIT-QWRGUYRKSA-N 314.386 -0.483 30 20 DBED C=CCOCC(=O)NCCNC[C@H](O)CO[C@H](C)COC 1124767916 OJQJDQQWVACRFM-OLZOCXBDSA-N 304.387 -0.693 30 20 DBED CSCC(=O)N(C)C[C@@H](O)CN(C)c1cnc(C#N)cn1 1124925834 PTFJYMYLVMNNTN-NSHDSACASA-N 309.395 -0.033 30 20 DBED CN(C[C@H](O)CN(C)c1ccc(C#N)nn1)C(=O)[C@@H]1CCCO1 1124940479 SICBZTPAUCICFV-OLZOCXBDSA-N 319.365 -0.217 30 20 DBED C=C[C@](C)(O)CC(=O)NCCNCC(=O)Nc1cc(C)nn1C 1126385055 SPOLWAPJMPBPMT-HNNXBMFYSA-N 323.397 -0.300 30 20 DBED C#CCO[C@@H](C)C(=O)NCCNCC(=O)NCC(F)(F)F 1127039164 DZMZJPLWDKJBME-VIFPVBQESA-N 309.288 -0.591 30 20 DBED C#CCN[C@@H]1CN(C(=O)CN(CC)CC)C[C@@H]1n1ccnn1 1130054839 SEAJOJJSSRUYRU-KGLIPLIRSA-N 304.398 -0.405 30 20 DBED COCC#CCNCCNC(=O)COCc1ccnc(O)c1 1130216630 DIRZDVJNOVBXFU-UHFFFAOYSA-N 307.350 -0.341 30 20 DBED COCC#CCNCCNC(=O)[C@@H]1COCCN1CC1CCC1 1131824474 BOOREICIKAFJHZ-INIZCTEOSA-N 323.437 -0.157 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)CCn1cccn1 1133726244 GBKUHJFLKKEHIN-KGLIPLIRSA-N 319.409 -0.105 30 20 DBED C[C@H](C[C@@H](C)NC(=O)COCC1CC1)NCC(=O)NCC#N 1133779099 KOSNKPLBEPMXMH-VXGBXAGGSA-N 310.398 -0.074 30 20 DBED C=CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)c1[nH]nnc1C 1135161278 LNFVXNPRECRAED-VHSXEESVSA-N 308.386 -0.098 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)c2ccc(OC)nn2)C1=O 1146667961 BLRYSHJTQGLRGI-LBPRGKRZSA-N 319.365 -0.409 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CCc2nn[nH]c2C1 1147698167 FZLCGKSNMDATTD-MNOVXSKESA-N 320.397 -0.694 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)COC[C@@H]2CCOC2)C1 1150394978 OATDYULBNHJCES-CABCVRRESA-N 310.394 -0.120 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@@H](C)N1CCCCC1=O 1152162417 WCUPBLMTAUEXKT-GFCCVEGCSA-N 310.398 -0.605 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@H](C)c1cnn(C)c1 1154005740 CEVBDRLBXMJNEG-NEPJUHHUSA-N 305.382 -0.633 30 20 DBED C#CCNC(=O)CN(C)C[C@H]1CCCCN1C(=O)CC(=O)NC 1157864495 DVJYRMJAPQAXRD-CYBMUJFWSA-N 322.409 -0.815 30 20 DBED C#CCN(C)C[C@H]1CCCCN1C(=O)CN1CCN(C)C(=O)C1 1158155298 NPNOGXPYLSBRTO-OAHLLOKOSA-N 320.437 -0.294 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)[C@@H](C)NC(=O)CC)C1=O 1158644883 FBHUVBRRSCZYGC-CHWSQXEVSA-N 324.425 -0.216 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1ccnn1C(F)F 1158880738 PUQFMHXXJQSJOB-UHFFFAOYSA-N 313.308 -0.263 30 20 DBED COCC#CCNCCCNC(=O)c1ccc2nnnn2c1 1162440615 AESLIVHUQIUMNF-UHFFFAOYSA-N 302.338 -0.516 30 20 DBED NC(=O)NC(=O)CNCC1(CCNC(=O)C#CC2CC2)CC1 1164479017 CIVAWZICCPGOPK-UHFFFAOYSA-N 306.366 -0.529 30 20 DBED C#CCNCC1(CCNC(=O)CCc2nnc(O)nc2O)CC1 1165962804 SDTXPMVUHTTXOX-UHFFFAOYSA-N 319.365 -0.275 30 20 DBED C[C@@H]1OCC[C@@H]1C(=O)NCCC1(CNCC(=O)NCC#N)CC1 1167535412 KNWDECLKKPPXKF-STQMWFEESA-N 322.409 -0.073 30 20 DBED N#CCNCC1(CCNC(=O)CC[C@@H]2NC(=O)NC2=O)CC1 1168032786 MYIAGHWIQLNUAU-JTQLQIEISA-N 307.354 -0.626 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)CN(C)C(=O)COC)C[C@@H]21 1177029033 BFHGPOFQSJSNFG-KBPBESRZSA-N 323.393 -0.974 30 20 DBED N#CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 1183402375 GIQRMUIRVNQHEC-IJLUTSLNSA-N 316.365 -0.657 30 20 DBED CC#CCN[C@@H]1CCN(C(=O)c2ccc(=O)n(CCOC)n2)C1 1184076294 YVODNAFAOAJDKJ-CYBMUJFWSA-N 318.377 -0.283 30 20 DBED CC#CCNC[C@H]1CCN(C(=O)CN2CC(=O)NC2=O)C[C@H]1C 1185325365 BDPXEMIJGGUFSC-CHWSQXEVSA-N 320.393 -0.364 30 20 DBED C=CCNC[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C[C@H]1C 1185643698 YXBWDXRSXFGURF-NEPJUHHUSA-N 308.382 -0.202 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)c2ccnc(C)n2)C1 1187887627 IHAJLTHATIIADS-GFCCVEGCSA-N 303.366 -0.109 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@@H]1CCN(C(=O)c2cnccn2)C1 1188675762 NSWDODVCWLQESO-CHWSQXEVSA-N 315.377 -0.239 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 1189688124 VYYCRERIQREEIH-ZDUSSCGKSA-N 313.361 -0.218 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)Cc2cncnc2)C1 1189873864 HANAPPQPHKYMFX-CQSZACIVSA-N 315.377 -0.699 30 20 DBED C#CCN(C)[C@H]1CCN(C(=O)[C@H](Cc2cnc[nH]2)NC(C)=O)C1 1192153513 QEYHYKGFTVGTNM-GJZGRUSLSA-N 317.393 -0.377 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN([C@@H](C)CCC=C)C[C@H]1O 1192395195 ABTXSBUQVKTPLS-BFHYXJOUSA-N 307.394 -0.358 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(CC(=O)N(C)C(C)C)C[C@H]1O 1192504096 VIYKPOXWGJNCAJ-ZIAGYGMSSA-N 309.410 -0.182 30 20 DBED C=CCNC(=O)[C@H](C)N1CCCN(C(=O)c2ncn(C)n2)CC1 1195737029 URJWVODVBXIKPG-LBPRGKRZSA-N 320.397 -0.346 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)N[C@@H]1CN(CC2CC2)C[C@H]1O 1199081776 XVHAUIUGVNQDEK-CHWSQXEVSA-N 324.425 -0.179 30 20 DBED Cc1cc(C(=O)N2CCC(NCC(=O)NCC#N)CC2)on1 1199297585 KIHRKAWGQXYMSW-UHFFFAOYSA-N 305.338 -0.183 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@H](C)NC(=O)C2CCC2)C1 1199497384 BJFSYJMBOKVWFN-IACUBPJLSA-N 307.394 -0.524 30 20 DBED C#CCNC(=O)[C@H](C)NC1CCN(C(=O)Cc2cc[nH]n2)CC1 1199929311 YHPDFQIYMDNPBD-LBPRGKRZSA-N 317.393 -0.329 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 1200095361 KHSCUDRSRKCIJE-UHFFFAOYSA-N 313.361 -0.170 30 20 DBED C#CCNC(=O)CC(=O)N1CCC(NCCOCC=C)CC1 1200170492 ASJIBFWFBBNHHZ-UHFFFAOYSA-N 307.394 -0.091 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)CO[C@@H]2CCOC2)CC1 1200541369 NEFSWIZCPIXHNB-CQSZACIVSA-N 323.393 -0.878 30 20 DBED C=CCNC[C@@H]1CN(C(=O)c2cc(=O)n(C)cn2)CCCO1 1200712899 KUNSKAWQXHOQTQ-GFCCVEGCSA-N 306.366 -0.213 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)Cn2nccn2)CC1 1200782952 GYBDXUVYCGBVNJ-UHFFFAOYSA-N 306.370 -0.839 30 20 DBED C#CCNC[C@@H]1CN(C(=O)[C@@]2(C)CCNC(=O)C2)CCCO1 1200796141 UDEBPYLRKSJYGC-CJNGLKHVSA-N 307.394 -0.257 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)[C@@H]2CCN(C)C2=O)CCCO1 1201204027 GLYQKKIJSPYOLZ-ZIAGYGMSSA-N 307.394 -0.305 30 20 DBED C=CCNC[C@H]1CN(C(=O)CN2CCC(=O)NC2=O)CCCO1 1201793019 ALKVWLPEQLCRTN-LBPRGKRZSA-N 324.381 -0.679 30 20 DBED C#Cc1ccc(C(=O)N2CCCO[C@H](CNCCO)C2)cn1 1201892597 ZHHOTJGPEQRMHH-OAHLLOKOSA-N 303.362 -0.124 30 20 DBED C#CCNC[C@H]1CN(C(=O)CCc2cn(C)nn2)CCCO1 1202235478 KZHGREMZGGWZQA-AWEZNQCLSA-N 305.382 -0.412 30 20 DBED C=CCNC(=O)[C@@H](C)NC1CCN(C(=O)Cn2cncn2)CC1 1203617054 CHTHPERDRFAMMH-GFCCVEGCSA-N 320.397 -0.451 30 20 DBED COC[C@@H](C)C(=O)N1CCC(CNCC(=O)NCC#N)CC1 1204748625 PQBIWJZDHGYCMX-GFCCVEGCSA-N 310.398 -0.263 30 20 DBED COCC#CCN1C[C@@H](NC(=O)[C@@H]2CCC(=O)N(C)C2)[C@H](C)C1 1211370089 XAHIKQGEBXDEEX-RBSFLKMASA-N 321.421 -0.059 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)c2cccnc2)[C@H](OC)C1 1211768790 REWBVPQCQYQSJH-ZIAGYGMSSA-N 318.377 -0.187 30 20 DBED C=CCOCC(=O)N[C@@H]1CN([C@@H](C)C(=O)N(C)C)C[C@H]1OC 1212033594 KEGVIKSJQLMPKL-YNEHKIRRSA-N 313.398 -0.519 30 20 DBED C=C(C)CN1C[C@@H](NC(=O)C(=O)NCC(F)F)[C@H](OC)C1 1212497697 UIPMUBOBONINMN-NXEZZACHSA-N 305.325 -0.241 30 20 DBED C=C(C)CN1C[C@@H](NC(=O)CC[C@@H]2NC(=O)NC2=O)[C@H](OC)C1 1213829342 QUTAYIJPOZCBCR-QJPTWQEYSA-N 324.381 -0.634 30 20 DBED CCCC(=O)NCC(=O)N1C[C@@H](NCC#CCOC)[C@H](C)C1 1214252297 BGCFJEQKTPMKCE-ZIAGYGMSSA-N 309.410 -0.011 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)C2(CCOC)CC2)C[C@H]1C 1214817329 CRPVWPKDIPZYLB-ZIAGYGMSSA-N 321.421 -0.011 30 20 DBED CC(C)C#CC(=O)N1CCO[C@@H]2CN([C@H]3CCCNC3=O)C[C@@H]21 1217852865 VQPBJTMUYLTRIH-SOUVJXGZSA-N 319.405 -0.164 30 20 DBED N#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2ccc(F)cc2)C1 1219098742 QKIKHSCPDIDXKV-OLZOCXBDSA-N 320.324 -0.760 30 20 DBED C#CCCCC(=O)N[C@@H]1CN([C@H](C)C(=O)NCC=C)C[C@@H]1O 1219523621 KKPUBUHZGGPDTD-MCIONIFRSA-N 307.394 -0.358 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)CCn2ccnn2)C1 1219525140 URRAFMQBADSSBU-OLZOCXBDSA-N 309.370 -0.968 30 20 DBED C[C@H](NC(=O)C1CCCC1)C(=O)N[C@@H]1CN(CC#N)C[C@@H]1O 1219683120 RAXIOYGOXONBNE-UHTWSYAYSA-N 308.382 -0.634 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)C2(C)CCCC2)C1 1220094467 UNAVPIUXZQRKMH-MJBXVCDLSA-N 321.421 -0.134 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@H]2CCC2(C)C)C1 1220178615 PWEWHHMRWCADAW-UPJWGTAASA-N 309.410 -0.114 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)c2ccn(CC)n2)C1 1220478868 NTDHNUCDOYVOLD-KGLIPLIRSA-N 308.382 -0.120 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)CNC(=O)CC2CCCC2)C1 1220545569 FUIDXPMQIDKQIT-CABCVRRESA-N 321.421 -0.133 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)COCCN(C)C)C1 1220766624 AWPYDLCCSRSBND-NEPJUHHUSA-N 305.806 -0.522 30 20 DBED CCc1noc(C)c1C(=O)N[C@@H]1CN(CC#CCOC)C[C@@H]1O 1220953302 IMIGUBCHSRSSIS-KGLIPLIRSA-N 321.377 -0.030 30 20 DBED C=CCC[C@H](C)N1C[C@H](O)[C@H](NC(=O)c2cn(C)c(=O)n2C)C1 1221104557 ZIGGAYMCLYKGPS-SCRDCRAPSA-N 322.409 -0.147 30 20 DBED C=CCOCC(=O)N1C[C@H]2CCN(CC(=O)NC(=O)NC)C[C@H]21 1221444493 AESRCOXQKMLIDD-VXGBXAGGSA-N 324.381 -0.823 30 20 DBED C#CCN1CC[C@@H]2CCN(C(=O)CCNS(C)(=O)=O)C[C@@H]21 1222810763 VMTHLYKQOPZUKZ-OLZOCXBDSA-N 313.423 -0.518 30 20 DBED C=CCOCC(=O)N[C@@H]1CCCC[C@H]1NCc1nnn(C)n1 1225361625 KTDWACLMGZUTKC-VXGBXAGGSA-N 308.386 -0.070 30 20 DBED CN(C[C@@H]1CCN1CC(=O)NCC#N)C(=O)C[C@H]1COC(=O)C1 1233609991 CLOIEBOQICDKQG-NEPJUHHUSA-N 322.365 -0.888 30 20 DBED C#CC1CCN(C(=O)C(=O)NCCCN2CCOCC2)CC1 1261461904 BNFHOASDVSSZHJ-UHFFFAOYSA-N 307.394 -0.303 30 20 DBED Cc1ncc(S(N)(=O)=O)cc1C(=O)NC1(C#N)CCOCC1 1261547361 JSBSBBKEMHSFGH-UHFFFAOYSA-N 324.362 -0.160 30 20 DBED CNS(=O)(=O)N1CCC(C(=O)n2ncc(C#N)c2N)CC1 1261860834 IFKCCRVGYHWGDH-UHFFFAOYSA-N 312.355 -0.847 30 20 DBED CN(C[C@H](O)CNC(=O)[C@@H]1CCCCN1C)C(=O)C#CC1CC1 1281253242 PCMKMXQZNYBSFA-CABCVRRESA-N 321.421 -0.180 30 20 DBED N#CCOc1ccc(NC(=O)C(=O)N[C@@H]2CNC(=O)C2)cc1 1320580843 XPOCBOIUAFMAHL-JTQLQIEISA-N 302.290 -0.468 30 20 DBED CC1CCN([C@H](C)CNC(=O)C(=O)N2CCO[C@H](C#N)C2)CC1 1322519396 FDWYFUWDRXFVGG-ZIAGYGMSSA-N 322.409 -0.026 30 20 DBED C=CC[C@H]1NC(=O)N(c2ccn(CCS(C)(=O)=O)n2)C1=O 1322800729 ZQEDOTYBTDUJGY-SECBINFHSA-N 312.351 -0.071 30 20 DBED CN1CCC(CCNC(=O)C(=O)N2CC[C@](O)(CC#N)C2)CC1 1326870454 WWOHEABXGZHGTE-MRXNPFEDSA-N 322.409 -0.288 30 20 DBED C=CCn1cc(CNC(=O)N2CCN3C(=O)NC[C@@H]3C2)nn1 1329198127 FOIVQGHCSJTSRE-LLVKDONJSA-N 305.342 -0.617 30 20 DBED C=CCNC(=O)Cn1nnnc1N1CC[C@H](n2cccn2)C1 1334165600 BUXRPAOZEMKSDK-NSHDSACASA-N 302.342 -0.377 30 20 DBED C[C@H]1CN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C[C@@H](C)N1 1335585238 PRYBDSWOSUPTKM-SCRDCRAPSA-N 319.409 -0.606 30 20 DBED C#CCOCCn1nnnc1N1CC[C@H](N2CCCC2=O)C1 1344584373 RDDOYFAPFOUCQC-LBPRGKRZSA-N 304.354 -0.476 30 20 DBED Cc1cc(NC(=O)C(=O)N[C@H]2CCN(C)C2)n(CCC#N)n1 1348645561 OUTVDPALEASINI-NSHDSACASA-N 304.354 -0.136 30 20 DBED C#CCOCCNC(=O)C(=O)N[C@H]1CCN(CC(F)F)C1 1348711044 DBKRCXVRPPJPIE-JTQLQIEISA-N 303.309 -0.792 30 20 DBED CC#CC[C@H](CO)NC(=O)C(=O)Nc1cnc2c(c1)COCC2 1349155226 FBPSURMFOVLABF-GFCCVEGCSA-N 317.345 -0.017 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)[C@H]2CN3CCN2C[C@H]3C)C1=O 1349797001 BDENHVGTJAHJMS-HZSPNIEDSA-N 306.410 -0.380 30 20 DBED COC(=O)[C@H](C)CN(C)C(=O)CCn1cc(C#N)c(O)nc1=O 1362251732 XKKZYPZXOFDKRW-SECBINFHSA-N 322.321 -0.522 30 20 DBED C[C@H]1CN(Cc2cc(O)n3ncc(C#N)c3n2)CCN1CCO 1363223639 PCZCUGVIAWDNMZ-NSHDSACASA-N 316.365 -0.195 30 20 DBED C[C@H](C(=O)N1CC(CN2CCN(C)CC2)C1)n1cnc(C#N)n1 1363336744 KAAALEDWBYFVSH-GFCCVEGCSA-N 317.397 -0.583 30 20 DBED C[C@@H](CNC(=O)[C@H](C)C#N)NC(=O)c1cnc(N(C)C)cn1 1386458170 RJZWUPRXVCCKNT-ZJUUUORDSA-N 304.354 -0.063 30 20 DBED C[C@H](CNC(=O)c1ccc(C#N)[nH]1)NC(=O)c1cnnn1C 1386718238 AHQXKZLLYLVQON-MRVPVSSYSA-N 301.310 -0.437 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)CC1 1389942369 VAPFLLVSJKFEMJ-ZDEQEGDKSA-N 321.377 -0.037 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CCCN1C(=O)c1cn(C)c(=O)n1C 1399268250 FXKWDAMVMHIEDS-GHMZBOCLSA-N 319.365 -0.396 30 20 DBED COCCN(CCNC(=O)Cn1ccnc1C)C(=O)[C@H](C)C#N 1413500331 SRSGZGAJSZAALC-GFCCVEGCSA-N 321.381 -0.058 30 20 DBED N#Cc1ccc(CNC(=O)Cn2c(=O)[nH]cc(C#N)c2=O)cc1 1413931021 OOIZPRWWEOGKFJ-UHFFFAOYSA-N 309.285 -0.404 30 20 DBED N#Cc1cc(C(=O)N2CC[C@@H](NC(=O)CCCC(N)=O)C2)c[nH]1 1414541110 MZZZZERRRBOCBZ-LLVKDONJSA-N 317.349 -0.127 30 20 DBED COCCC1(C(=O)NCCn2cc(C#N)c(O)nc2=O)CC1 1418537133 WVHHWAAODFPGOY-UHFFFAOYSA-N 306.322 -0.247 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)C[C@@H]2CCN(C)C2=O)CC1 1432292549 FTUAOYHHPFAHMG-QWRGUYRKSA-N 306.366 -0.221 30 20 DBED N#C[C@H]1CC[C@@H](NC(=O)NCC2(O)CCS(=O)(=O)CC2)C1 1434816556 UKVLDKOVELDCDM-WDEREUQCSA-N 315.395 -0.082 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)c2ccc(C(N)=O)o2)C1 1447459641 MNTVTYPXEPKVGD-IWSPIJDZSA-N 304.306 -0.085 30 20 DBED C[C@H](CCNC(=O)c1cnnn1C)NC(=O)c1cc(C#N)c[nH]1 1448503517 MKSHKHDUSFKAMJ-SECBINFHSA-N 315.337 -0.047 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C)C(=O)[C@H]1CCCCS1(=O)=O 1449199830 YUVORAHBXVQUHM-WDEREUQCSA-N 315.395 -0.312 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]1CN(C)C(=O)CCn1ccnn1 1452850616 XMWRRNKUTKDAEF-NEPJUHHUSA-N 304.354 -0.113 30 20 DBED C=C(Cl)CN(C)[C@@H](C)CNC(=O)Cn1cnc(C(N)=O)n1 1485305192 ANCJBEGTVLTRNW-VIFPVBQESA-N 314.777 -0.434 30 20 DBED CCOc1cc(C(=O)N(C)C[C@H](O)CNC(=O)[C@H](C)C#N)[nH]n1 1488374042 YYWNDPJPGDMRQH-NXEZZACHSA-N 323.353 -0.483 30 20 DBED C=CCOCC(=O)N1C[C@H](NC(=O)CNC(=O)O)CC[C@H]1C 1573368927 LMAOZAAZCILHOS-GHMZBOCLSA-N 313.354 -0.048 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 1573585310 NZFHCIHLHWCACF-RKDXNWHRSA-N 313.325 -0.489 30 20 DBED C#CC1(O)CN(S(=O)(=O)c2ccc(CC(=O)O)c(F)c2)C1 1588382314 MKUKSADGILLMBB-UHFFFAOYSA-N 313.306 -0.179 30 20 DBED C#CCCN(CCOC)C(=O)CN1CCC[C@H](C(=O)O)C1=O 1588447773 PUBHJFGWDPQSNW-LBPRGKRZSA-N 310.350 -0.192 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N[C@@]1(CC(=O)O)CCOC1 1589330480 GTHYFWYVYBLCBD-MWLCHTKSSA-N 305.356 -0.454 30 20 DBED N#Cc1c(-c2nn[nH]n2)nc(N)n1Cc1cn2cccnc2n1 1592684212 TTYQFALJLGVYET-UHFFFAOYSA-N 307.281 -0.392 30 20 DBED N#CCN1CCC(NC(=O)[C@H]2CCCN(CC(=O)O)C2=O)CC1 1594609860 MJAFKAPEDYUTNZ-GFCCVEGCSA-N 322.365 -0.586 30 20 DBED N#CC1(C(=O)O)CCN(C(=O)NC[C@@H]2CCCNC2=O)CC1 1601052013 XKEZKDQESZHUSW-JTQLQIEISA-N 308.338 -0.087 30 20 DBED N#CCn1cc(NC(=O)Cn2cccc(C(=O)O)c2=O)cn1 1601079112 NSJSJTDZEALCDE-UHFFFAOYSA-N 301.262 -0.095 30 20 DBED N#Cc1cccc(NC(=O)C(=O)N2CCO[C@H](CC(=O)O)C2)n1 1601123034 YKUMXGZODHVMBB-SNVBAGLBSA-N 318.289 -0.406 30 20 DBED C[C@@H](C(=O)N(C1CC1)[C@H](C)C#N)n1cnc(-c2nn[nH]n2)n1 1602989191 PUSCGWNAQGWIIA-SFYZADRCSA-N 301.314 -0.078 30 20 DBED C[C@H](C#N)C(=O)N(C)C[C@H](O)CN(C)c1ncc(C(=O)O)cn1 1603130529 XYBFXBXBADABKD-KOLCDFICSA-N 321.337 -0.410 30 20 DBED C[C@H](C(=O)N[C@@H](C[C@@H]1CCCO1)C(=O)O)n1cnc(C#N)n1 1603156331 SXJAMZDBGVUXJW-UTLUCORTSA-N 307.310 -0.151 30 20 DBED C=CCN1CC[C@H](N(C)S(=O)(=O)C[C@H](C)C(=O)O)C1=O 1609373814 REZDMEWPVDSEQI-UWVGGRQHSA-N 304.368 -0.244 30 20 DBED COC(=O)c1cccc([C@@H](NCC(=O)NCC#N)C(=O)O)c1 1610217466 HOLIZRJTAHGVOX-GFCCVEGCSA-N 305.290 -0.172 30 20 DBED N#Cc1ccc(S(=O)(=O)CCN2CCN(CCO)CC2)nc1 1647196121 JOQPIHYMJVCROL-UHFFFAOYSA-N 324.406 -0.663 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)c2cc(OC)ncn2)C1 1690092012 QWHHNEMODWUEQJ-NSHDSACASA-N 317.349 -0.961 30 20 DBED C#CCNC(=O)CNC[C@@H]1CCCN(C(=O)[C@H](OC)C2CC2)C1 1752796545 OVQHDFHOKXSVKM-XJKSGUPXSA-N 321.421 -0.011 30 20 DBED C[C@H](CNC(=O)CN1CCCCCC1=O)NCC(=O)NCC#N 1752919360 UDVBPYLXHYJPDJ-GFCCVEGCSA-N 323.397 -0.877 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H](C)CNC(=O)CCn1cc(C)cn1 1752921719 XUDNQVJGKAAFJY-UONOGXRCSA-N 319.409 -0.186 30 20 DBED C#CCNC(=O)CNC[C@@](C)(NC(=O)[C@@H]1[C@H]2COC[C@H]21)C1CC1 1753524120 XHMGVMMEYIGAAJ-RPCCPQHDSA-N 319.405 -0.497 30 20 DBED CC#CCNC[C@@H](O)CNC(=O)c1cnc2n[nH]c(C)c2c1 1753937559 POSPLBXPPZLIRF-GFCCVEGCSA-N 301.350 -0.030 30 20 DBED C#CCNC(=O)CNCCN(CC)C(=O)C(C)(C)c1cnc[nH]1 1754081303 WVWVLCLMWLSROY-UHFFFAOYSA-N 319.409 -0.125 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@H](C)NC(=O)c1ccc(C)nn1 1754267689 UKHUACBRHUVBKP-RYUDHWBXSA-N 303.366 -0.369 30 20 DBED C=C(C)CNC[C@H](NC(=O)[C@@H](C)NS(C)(=O)=O)C1CC1 1754453025 PHGZJYCVNPDADF-PWSUYJOCSA-N 303.428 -0.015 30 20 DBED C#CCN1CCC[C@@](C)(CNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 1754730615 JKTNPDCXFXRDDU-NHYWBVRUSA-N 306.366 -0.564 30 20 DBED C[C@@H]1CN(C(=O)Cn2cccn2)C[C@@H]1CNCC(=O)NCC#N 1754814186 WCTVCGGQPWBASD-OLZOCXBDSA-N 318.381 -0.793 30 20 DBED CC(C)(C)C(=O)NCC(=O)N[C@@]1(CO)CCCN(CC#N)C1 1754860100 BDWVJQRXEOYZBV-HNNXBMFYSA-N 310.398 -0.385 30 20 DBED CC#CCNCC1(NC(=O)c2c[nH]c(=O)cn2)CCOCC1 1755097649 QBVYSPPDQIWYQN-UHFFFAOYSA-N 304.350 -0.338 30 20 DBED CC1(C)CN(CC(=O)NCC#N)CC[C@@H]1NC(=O)[C@H]1CCOC1 1755137418 SCPNASGGKMAFIO-STQMWFEESA-N 322.409 -0.121 30 20 DBED C=CCCCN1CC(N2CCN(C(=O)[C@H]3COC(=O)N3)CC2)C1 1755145100 BQHABGAJYPLVJQ-CQSZACIVSA-N 322.409 -0.111 30 20 DBED CNC(=O)NCCC(=O)N[C@@H]1CCN(CC#CCOC)[C@@H](C)C1 1755159275 FPKQYOKJLLGMOI-UONOGXRCSA-N 324.425 -0.076 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCOC2(CCN(CCO)CC2)C1 1755171148 LLHWTUZZVAJIRL-OAHLLOKOSA-N 312.410 -0.001 30 20 DBED C#CCNC(=O)CN1CC([C@H](C)NC(=O)C[C@H]2CCOC2)C1 1755383449 WORWTXUYVXEMOT-QWHCGFSZSA-N 307.394 -0.401 30 20 DBED CC(C)C#CC(=O)N(C)C[C@@H](O)CN(C)C(=O)Cc1cnc[nH]1 1756686116 PPXJSUNGWYUCIT-CQSZACIVSA-N 320.393 -0.111 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2[nH]ccc2C)C1 1756991585 DSJDKKWOEWMHEA-JHJVBQTASA-N 319.361 -0.337 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)NC[C@]1(C(=O)O)CCOC1 1776398540 MZQKEQMLSBAZFZ-GXSJLCMTSA-N 305.356 -0.454 30 20 DBED C=CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCNC(C)=O 1800541692 TWKTYPDKBRCCAL-YWVIFJGQSA-N 323.393 -0.322 30 20 DBED CCCCS(=O)(=O)NCC(=O)N1CCN(CC#N)CC1 90052516 PJKLWDMTBCQNKZ-UHFFFAOYSA-N 302.400 -0.626 30 20 DBED N#Cc1ccc(Cl)c(S(=O)(=O)N[C@@H](CO)C(=O)O)c1 130613208 HBQWVIAMNFVYDG-QMMMGPOBSA-N 304.711 -0.065 30 20 DBED C/N=C(/NCC(=O)NC)N1CCN([C@H](C)C(F)(F)F)CC1 261767963 GLBQYWPRHSPKKY-SECBINFHSA-N 309.336 -0.124 30 20 DBED N/C(=N/C[C@@H](O)C(F)(F)F)N1CCN(c2ncccn2)CC1 261977045 GNCWWSCIXJQVSF-SECBINFHSA-N 318.303 -0.164 30 20 DBED CN(C)C(=O)C/N=C(/NCC(=O)N(C)C)N1CC[C@@H](C2CC2)C1 262303131 OCLAJLXITOCYBC-CYBMUJFWSA-N 323.441 -0.160 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2C[C@H]2C(=O)OC)CC1 264874801 HFABKYNBQCXXBX-QWHCGFSZSA-N 321.377 -0.921 30 20 DBED COC(=O)C[C@H]1CN(CC(=O)N(CCC#N)CCC#N)CCO1 267859091 YBJBIYIUJMOPGK-ZDUSSCGKSA-N 322.365 -0.094 30 20 DBED COC[C@](C)(C#N)NC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O 269637795 XKSCOYLNWAPQJF-UONOGXRCSA-N 308.338 -0.248 30 20 DBED CCN1CCC[C@@H]1CN/C(N)=N/CCNC(=O)c1ccn[nH]1 272441492 UQQQHWLPZHNNEJ-LLVKDONJSA-N 307.402 -0.472 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)Cc2ccncc2)CC1 272463352 YCJOUJWLGGKJCJ-UHFFFAOYSA-N 314.389 -0.092 30 20 DBED C=CC[C@H](CO)NC(=O)CSCC(=O)N[C@@H](CO)CC=C 273470859 JSLVLWVENRZSSJ-VXGBXAGGSA-N 316.423 -0.174 30 20 DBED C=CC[C@@H](NS(=O)(=O)N(CCOC)CCOC)C(=O)O 274896173 HDCYRLPXPOKLJL-SNVBAGLBSA-N 310.372 -0.555 30 20 DBED CC[C@]1(C)NC(=O)N(NS(=O)(=O)N(C)[C@H](C)CC#N)C1=O 289229113 RLYWHVFRDLOTSP-KCJUWKMLSA-N 317.371 -0.310 30 20 DBED CO/N=C/C(=O)N1CCN(c2ccc(C(=O)OC)nn2)CC1 289664508 DANFVHCITZSOQA-NTEUORMPSA-N 307.310 -0.456 30 20 DBED C[C@@H]1C[C@H](/N=C(/O)N2CC[C@H](S(N)(=O)=O)C2)CN1C1CC1 328822864 PGLHULALGPLDHH-SCVCMEIPSA-N 316.427 -0.112 30 20 DBED CC/N=C(/O)CN1CCCN(C(=O)[C@@H]2COCCN2C)CC1 328961193 QNQPWQWYGMHJPR-ZDUSSCGKSA-N 312.414 -0.172 30 20 DBED C[C@H](C/N=C(/O)N(C)[C@@H]1COC[C@H]1O)CN1CCOCC1 329300621 VRXAGXSXELRKPA-JHJVBQTASA-N 301.387 -0.440 30 20 DBED C[C@H](O)[C@H](/N=C(/O)C1CC1)C(=O)N1CCN2C(=O)CC[C@H]2C1 329370369 IQOSKNYSLOFFJR-GAFUQQFSSA-N 309.366 -0.065 30 20 DBED CN(C)S(=O)(=O)c1cc(/C(O)=N/[C@]2(CO)CCOC2)co1 330822356 DWIPVMRJQKVVTR-LBPRGKRZSA-N 318.351 -0.014 30 20 DBED C=CCN(C(=O)C(=O)NCC1CC1)[C@H]1CCS(=O)(=O)C1 331460597 KMPLWCUOIVDGBZ-NSHDSACASA-N 300.380 -0.286 30 20 DBED C[C@@H]1CCCN(CCNS(=O)(=O)N2CCO[C@H](C#N)C2)C1 336908451 GFXOUOGANRULKJ-CHWSQXEVSA-N 316.427 -0.223 30 20 DBED C=C[C@@H](CO)NC(=O)C(=O)Nc1cn(Cc2ccccc2)nn1 340507182 MXKBTVFSQHMARK-LBPRGKRZSA-N 315.333 -0.072 30 20 DBED C[C@@H](NC(=O)COc1ccccc1)C(=O)NCC(=O)NCC#N 343512229 YFHQMNNPICTNGA-LLVKDONJSA-N 318.333 -0.674 30 20 DBED N#CCNC(=O)CNC(=O)NCCC(=O)N1CCCCCC1 344512985 AHNOUAWRBLICNM-UHFFFAOYSA-N 309.370 -0.282 30 20 DBED N#CCNC(=O)CNC(=O)NCc1cccc(-n2cncn2)c1 345010658 JUPVBXMKOACOFS-UHFFFAOYSA-N 313.321 -0.294 30 20 DBED COC(=O)CN(CC#N)CC(=O)N[C@@H](C)C(=O)N1CCCCC1 348483003 HEYKIGXMZOKWLA-LBPRGKRZSA-N 324.381 -0.498 30 20 DBED COC(=O)c1cc(S(=O)(=O)NCC(=O)NCC#N)oc1C 352539345 XPOXXJNEUHPBDF-UHFFFAOYSA-N 315.307 -0.707 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)CCC(=O)NCCC)CC1 354074282 URTBEGRHRJKGDP-UHFFFAOYSA-N 324.425 -0.261 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCN(C)[C@@H](C)C2)C1=O 357415663 NRVXFLNGUOTEPM-WDEREUQCSA-N 322.365 -0.438 30 20 DBED CNC(=O)[C@H]1CCCN(S(=O)(=O)N(C)C[C@@H](C)C#N)C1 407957685 PBEWFJPTUZFLHY-QWRGUYRKSA-N 302.400 -0.219 30 20 DBED C=CCn1cc(CNC(=O)N2CC[C@H](N3CCNCC3)C2)nn1 566104321 SBBRRLZWGBMXIK-AWEZNQCLSA-N 319.413 -0.347 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCCO[C@H]2C=C)C1=O 574852725 YECZKTFOJMMFQR-MNOVXSKESA-N 321.333 -0.187 30 20 DBED CC(=O)N1CCN(C(=O)CCN=c2cc[nH]c(C#N)n2)CC1 576556568 XSJJFLARSAZTME-UHFFFAOYSA-N 302.338 -0.737 30 20 DBED N#Cc1cccc(NC(=O)C(=O)NCCN2CC[C@H](O)C2)c1 600097532 AAYLLBOFDMFFSS-ZDUSSCGKSA-N 302.334 -0.320 30 20 DBED COC[C@@](C)(C#N)NC(=O)c1cc(S(=O)(=O)N(C)C)c[nH]1 610924883 ZAHPHAGZIVSARZ-GFCCVEGCSA-N 314.367 -0.077 30 20 DBED C=CCN(C(=O)CN(C)S(=O)(=O)N(C)C)[C@H](C)COC 617583573 LHDGXEIHDITLPJ-LLVKDONJSA-N 307.416 -0.226 30 20 DBED CC(=O)NCCc1ccc(S(=O)(=O)NCC#CCO)cc1 632516300 ADZYAJGJYFNQMN-UHFFFAOYSA-N 310.375 -0.361 30 20 DBED N#Cc1ccc(NCCNC(=O)N2CCS(=O)(=O)CC2)nc1 729223234 BWWOWWPNASYIEO-UHFFFAOYSA-N 323.378 -0.195 30 20 DBED C=CCNS(=O)(=O)c1cc(C(=O)NCC(N)=O)ccc1F 731473752 XUBXVYKLROVSOI-UHFFFAOYSA-N 315.326 -0.495 30 20 DBED C#CCOC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 734037728 AWDVPWSRWNCIAH-SNVBAGLBSA-N 322.342 -0.137 30 20 DBED C#CCN1CCC(C(=O)N=c2cc[nH]cc2-c2nn[nH]n2)CC1 735374620 KPXKLDZKBZJPHX-UHFFFAOYSA-N 311.349 -0.033 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)CCCNC(=O)O 736105692 FIEHUHKGLWEHJE-MRVPVSSYSA-N 301.299 -0.022 30 20 DBED Cn1c(N2CCC3(CC2)C[C@H]3C(=O)O)c(C#N)c(=O)n(C)c1=O 739014593 QSAOONWUVLEXEI-JTQLQIEISA-N 318.333 -0.353 30 20 DBED Cn1ncc(C(=O)OCC(=O)N(CCC#N)CCC#N)c1N 749376289 KNKUMASIPKQPCS-UHFFFAOYSA-N 304.310 -0.185 30 20 DBED N#Cc1c(N2CCN3C(=O)NC[C@H]3C2)cccc1S(N)(=O)=O 755000924 CQYGKNPMIUOJNQ-VIFPVBQESA-N 321.362 -0.581 30 20 DBED CC[C@@H](C#N)OC(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1 756301035 LYYWQRVOBLXUHB-BDAKNGLRSA-N 300.340 -0.068 30 20 DBED C#CCNC(=S)NC[C@@H]1CCN(CCN2CCOCC2)C1 758190092 FLKNMZMLEJNMRP-AWEZNQCLSA-N 310.467 -0.262 30 20 DBED C#CCNS(=O)(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1 791483698 PFESXIJQHGFPIM-OAHLLOKOSA-N 323.418 -0.195 30 20 DBED C#C[C@H](NC(=O)C(=O)N(C)CCN1CCCC1)[C@@H]1CCCO1 809313188 ROLWXNSVXNVGDF-KBPBESRZSA-N 307.394 -0.162 30 20 DBED S=C(NCCN1CCOCC1)NN=C1COCCOC1 814717307 UHXZHPTZCIKYIS-UHFFFAOYSA-N 302.400 -0.815 30 20 DBED C#CC[C@@H](CO)NC(=O)c1cc(S(N)(=O)=O)ccc1F 820064629 HWTYOKLVYJVZPW-QMMMGPOBSA-N 300.311 -0.413 30 20 DBED CN(C[C@H]1CCS(=O)(=O)C1)C(=O)[C@](C)(C#N)CC(=O)O 820580270 ZIMCEBRPRQCWAP-SKDRFNHKSA-N 302.352 -0.116 30 20 DBED CCNCCCNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 832378496 SLZHMYLPKLBQSM-UHFFFAOYSA-N 324.406 -0.159 30 20 DBED COC(=O)[C@@H]1[C@H]2CN(C(=O)C(=O)Nc3cccc(C#N)n3)C[C@H]21 832447361 ZMXYWUCUDDDPQE-IAZYJMLFSA-N 314.301 -0.231 30 20 DBED Cc1cccc(=O)n1C[C@](C)(O)C(=O)N[C@@H]1CCCN(O)C1=O 848133589 BULQWRJFKBXEGX-ABAIWWIYSA-N 323.349 -0.596 30 20 DBED C#CCC[C@H](O)CNS(=O)(=O)c1cccnc1C(=O)OC 849392064 ZYKOYRNBWFKYAA-JTQLQIEISA-N 312.347 -0.079 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N1CCn2nc(C)nc2C1 850710258 WPJWVUIPYONDBB-UHFFFAOYSA-N 319.365 -0.573 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)c1sccc1S(N)(=O)=O 857970915 UKGWOXGEHCCNNA-ZETCQYMHSA-N 316.360 -0.310 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)Nc1cc(OC)ncn1 862192229 LILZAIMSWFNSSP-JTQLQIEISA-N 306.322 -0.032 30 20 DBED C#CCN(C)C(=O)C(=O)N1C[C@@H](C(=O)OCC)C2(COC2)C1 873011614 ATDDEKYYMJGFHN-NSHDSACASA-N 308.334 -0.884 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N1CC(=O)N(C)C[C@H]1C 875596393 MASQGPVJGFUPKB-NEPJUHHUSA-N 309.366 -0.780 30 20 DBED COC[C@@H](CS(=O)(=O)N1CCN(C2CC2)[C@H](C#N)C1)OC 881884036 AWKYDJXYOQRKKI-OLZOCXBDSA-N 317.411 -0.350 30 20 DBED CCOC(=O)[C@H]1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)C1 896268320 AUFNVDQIKZLBEB-VIFPVBQESA-N 306.322 -0.655 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)c1ccc(NCC(N)=O)cc1 919469269 LPGYBZATKWBKQD-JTQLQIEISA-N 303.318 -0.122 30 20 DBED CC(C)(C(N)=O)C(=O)N1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 937851488 ZWKCWPUVRUBPJA-JTQLQIEISA-N 317.349 -0.271 30 20 DBED CO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1NC(=O)c1ccc(C)nn1 941744134 MKDUUBAAIIJPAF-ZWKOPEQDSA-N 317.349 -0.100 30 20 DBED Cc1nccc(C(=O)NC[C@@H]2CN(C(=O)[C@@H](C)C#N)CCO2)n1 944603401 ZXEMBXIYHOAQHN-CMPLNLGQSA-N 317.349 -0.098 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCN(C(=O)Cn3nccn3)CC2)C1 944946142 PULNONQHGBNNBK-GFCCVEGCSA-N 316.365 -0.111 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)CC[C@H]1NC(=O)c1nnn(C)n1 945311527 JEPAMJLKNVAZKB-ZYHUDNBSSA-N 316.365 -0.410 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C[C@@H]1C 948069210 DIKZNXVSMYIOKX-NWDGAFQWSA-N 318.381 -0.631 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(CC1)CN([C@H](C)C(N)=O)CCO2 949320759 VAMDXGQRUCUXMY-NWDGAFQWSA-N 308.382 -0.287 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2CCN2C(=O)[C@H](C)C#N)nn1 950053055 OWGDVFLFSAGTQL-GHMZBOCLSA-N 302.338 -0.046 30 20 DBED Cn1cc(C(=O)N[C@@H]2CCCN(C(=O)C#CC3CC3)C2)nn1 950758548 KHTJEEGGYRKBAU-GFCCVEGCSA-N 301.350 -0.051 30 20 DBED C#Cc1cncc(C(=O)N[C@H]2CCCN(C(=O)C(N)=O)C2)c1 951856041 KRQWFQFEVDDCOM-LBPRGKRZSA-N 300.318 -0.731 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N(C)C(=O)c2cn(C)nn2)C1 954210049 GXZYTGKDPWBJMA-YPMHNXCESA-N 319.365 -0.311 30 20 DBED C=CC(C)(C)C(=O)N1CC(N(C)C(=O)[C@H]2CN(C)C(=O)N2)C1 954963527 RBYVDXZXHDAFNV-LLVKDONJSA-N 308.382 -0.109 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2CCCN2C(=O)COC)nn1 955854560 XIQQBYZTLNQFQO-NSHDSACASA-N 307.354 -0.169 30 20 DBED C#Cc1ccc(C(=O)N2CCN(Cc3nnnn3C)CC2)cn1 957378898 NKEVXJDSGRKVAH-UHFFFAOYSA-N 311.349 -0.456 30 20 DBED C=CCN1C[C@@H](O)[C@H](CNC(=O)c2cccc(C(N)=O)c2)C1 958190437 GWGIQVZXKOMQHV-ZIAGYGMSSA-N 303.362 -0.006 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](CNC(=O)c2ccoc2CC(N)=O)C1 958350977 WNOIMMHDWVPLNC-YPMHNXCESA-N 321.377 -0.094 30 20 DBED C#CCN1C[C@H](CNC(=O)c2c3c(nn2C)CCC3)[C@@H](O)C1 958587277 HUDJINAMXLKASV-FZMZJTMJSA-N 302.378 -0.436 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1[C@@H]2CN(CCn3cncn3)C[C@@H]12 961831743 IVOCKCZNOKHLEG-SYQHCUMBSA-N 317.393 -0.084 30 20 DBED CC#CCN1C[C@H]2[C@H](NC(=O)c3ccc(=O)n(CC)n3)[C@H]2C1 962070214 ZZPPEBHWDIKTBP-JYAVWHMHSA-N 300.362 -0.054 30 20 DBED C#CCN1C[C@H]2[C@H](NC(=O)c3ccc4c(c3)C(=O)NC4=O)[C@H]2C1 962340797 IJDZOKLUZQSHHN-WDNDVIMCSA-N 309.325 -0.137 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H](NC(=O)CN2CCOCC2)CC1 964847581 WCGQEXIAUNNYNV-KGLIPLIRSA-N 322.409 -0.024 30 20 DBED C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)c2cn(CC(N)=O)nn2)C1 968680513 AHMMQWCUJBUNBK-VXGBXAGGSA-N 320.397 -0.220 30 20 DBED C[C@@]1(C(=O)N2CC[C@]3(CN(CC#N)CCO3)C2)CNC(=O)C1 972480003 GDNQCIMOIBJEBO-GJZGRUSLSA-N 306.366 -0.661 30 20 DBED CC#CCN1CCO[C@]2(CCN(C(=O)c3c[nH]c(=O)cn3)C2)C1 972524154 PMTHTNMNBLTBGO-MRXNPFEDSA-N 316.361 -0.290 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)c3ccc(C(N)=O)[nH]3)C2)C1 972554354 PINSQFNUSYOMMM-MRXNPFEDSA-N 316.361 -0.336 30 20 DBED CC#CCN1C[C@H](NC(=O)CN2CC(=O)N(C)C2=O)C(C)(C)C1 977468523 MVSBDLCWYCSZMZ-LBPRGKRZSA-N 320.393 -0.270 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](CNC(=O)c2ccc(=O)n(C)n2)C1 983211423 JICCGHAWEXXKIH-WDEREUQCSA-N 317.349 -0.482 30 20 DBED C[C@H]1C[C@H](NCc2nnn(C)n2)CN1C(=O)c1ccc(C#N)[nH]1 988649372 BRDRGZDAPRFNJJ-ONGXEEELSA-N 314.353 -0.197 30 20 DBED C=CCN[C@@H]1C[C@@H](C)N(C(=O)c2cn(CC(=O)N(C)C)nn2)C1 989832655 VIAZFOZGFIBJSD-VXGBXAGGSA-N 320.397 -0.255 30 20 DBED C[C@@H](C(=O)N1CC(NC(=O)c2cc(C#N)c[nH]2)C1)n1cncn1 990697044 YWULPBZJRGDFJO-VIFPVBQESA-N 313.321 -0.320 30 20 DBED C[C@H](C#N)C(=O)N1CC(NC(=O)C2CCN(C(N)=O)CC2)C1 991339473 MXUXWJLOSKWLFH-SECBINFHSA-N 307.354 -0.736 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)COC)C[C@H]2O)nc1 991640361 PZGGHJWFINJPDW-GXTWGEPZSA-N 317.345 -0.599 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN(C(=O)c2cc[nH]n2)C1 994750276 HBHVMKBQULPHBV-ZDUSSCGKSA-N 301.350 -0.552 30 20 DBED COc1nccc(C(=O)NC2CN(C(=O)C#CC3CC3)C2)n1 996909770 YOPSLCLQLVOYPN-UHFFFAOYSA-N 300.318 -0.161 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)C3(C(N)=O)CC3)C2)nc1 997091413 YMSVSQVDTCRNMT-UHFFFAOYSA-N 312.329 -0.731 30 20 DBED C[C@H]1CCN(C(=O)C(N)=O)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 1004666960 BMUPYGXBFUJCMQ-GZMMTYOYSA-N 303.322 -0.662 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@]2(CCN(C(=O)c3nc[nH]n3)C2)C1 1007695313 UYMDKUQGYWTKGD-QMTHXVAHSA-N 318.337 -0.592 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](NC(=O)c2cnn(C)n2)C(C)(C)C1 1008327406 HKKQSBQRPHMIPX-KOLCDFICSA-N 304.354 -0.058 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2C(CNC(=O)c3ccc(O)nn3)[C@@H]2C1 1008760238 OGJMJUVIHTZPIC-MIMYLULJSA-N 315.333 -0.224 30 20 DBED O=C(C#CC1CC1)N1CCN(C(=O)c2ccc(O)nn2)CC1 1010121637 UKPMRRFQCQFODV-UHFFFAOYSA-N 300.318 -0.120 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCN(C(=O)c2cnon2)CC1 1011314276 RMVYAIQRLPKVHO-ZDUSSCGKSA-N 317.349 -0.548 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2n[nH]c(C)n2)C1 1014780090 PCHILTOPINTDSU-KGLIPLIRSA-N 316.409 -0.099 30 20 DBED C#CCN1CCC2(CC1)C[C@@H]2NC(=O)c1nccnc1C(N)=O 1016965308 OYKRTKOHUYCGBR-NSHDSACASA-N 313.361 -0.207 30 20 DBED COc1ccc(CN[C@H]2C[C@@H](NC(=O)C(N)=O)C2)cc1C#N 1022633399 IZFCLLBAYNYNPJ-TXEJJXNPSA-N 302.334 -0.211 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CN(C(=O)c3cocn3)C[C@H]2O)c1 1023327628 PTHOMOHHFIFKID-ZYHUDNBSSA-N 315.289 -0.510 30 20 DBED C#CCNC1CCC(NC(=O)c2cn(C)c(=O)n(C)c2=O)CC1 1026571164 NSSOXLALUJRTPX-UHFFFAOYSA-N 318.377 -0.652 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2CCCN2[C@H]2CCNC2=O)nn1 1028188075 SFCOJGZSVKZTMT-YPMHNXCESA-N 318.381 -0.453 30 20 DBED CC#CCN1CCC[C@H]1CNC(=O)C1CC2(C1)NC(=O)NC2=O 1028196075 BVYWEUJNVDDFNJ-BGMSHATGSA-N 318.377 -0.422 30 20 DBED CC#CCN1CC[C@@H](CNC(=O)[C@H]2CCN(C)S2(=O)=O)C1 1028861737 BHFZSAISLUKFAY-QWHCGFSZSA-N 313.423 -0.518 30 20 DBED Cn1nnc(C(=O)NC2CN(Cc3ccc(C#N)s3)C2)n1 1030803181 BZEJWOKYXTYUGP-UHFFFAOYSA-N 303.351 -0.243 30 20 DBED N#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3Cc2nc(O)n[nH]2)[nH]1 1032362571 HUFSTABWLYIIMQ-UWVGGRQHSA-N 313.321 -0.191 30 20 DBED C#CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1COCCN1CC(F)F 1032540574 ICMDTWUSRHRNJQ-AVGNSLFASA-N 313.348 -0.129 30 20 DBED N#CCN1CCO[C@@H](CNC(=O)c2ccc3nnc(O)n3c2)C1 1035546222 ATINJBRLFHMXFV-NSHDSACASA-N 316.321 -0.611 30 20 DBED C#CCN1CCO[C@H](CNC(=O)[C@@H]2CCCCN(C)C2=O)C1 1035577275 NNTWOURPSXISEY-KGLIPLIRSA-N 307.394 -0.305 30 20 DBED C#CCN1CCC(C(=O)NC[C@H]2CN(C[C@H](C)O)CCO2)CC1 1035612790 BIRJGDVBDXQFIO-HOCLYGCPSA-N 323.437 -0.471 30 20 DBED CN1CC(=O)N(CC(=O)N2CCC3(CC2)CN(CC#N)C3)C1=O 1035847266 JYTWIMINZGGZSI-UHFFFAOYSA-N 319.365 -0.672 30 20 DBED C#CCN[C@@H]1CCN(C(=O)CCN2C(=O)CCC2=O)C[C@H]1C 1036108289 IYJXVBANKKYZOC-CHWSQXEVSA-N 305.378 -0.015 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)CN3C(=O)CN(C)C3=O)CC[C@H]21 1036888775 PBGXSZNABUXTFT-CHWSQXEVSA-N 318.377 -0.564 30 20 DBED CC[C@H]1CN(C(=O)Cn2c(O)nnc2O)CC[C@@H]1NCC#N 1037970448 SVRUVSTYSIGFCS-UWVGGRQHSA-N 308.342 -0.570 30 20 DBED C=CCCC(=O)N1CC[C@](O)(CNC(=O)c2cnnn2C)C1 1039608700 BISTYSNTUPHUTH-AWEZNQCLSA-N 307.354 -0.526 30 20 DBED C=C(C)CCC(=O)NC[C@@]1(O)CCN(C(=O)c2nc[nH]n2)C1 1039987172 OAKGIOZUASAAEM-AWEZNQCLSA-N 307.354 -0.146 30 20 DBED C=CCCOCC(=O)NC[C@]1(O)CCN(C(=O)C(F)F)C1 1040160846 IIXZGAGULODACF-CYBMUJFWSA-N 306.309 -0.076 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)Cc2cc(C)on2)C1 1042162800 XXCRRKAXWKGULL-UHFFFAOYSA-N 323.349 -0.582 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)Cc2cccnc2)C1 1042936344 DQUFRFGBZORROO-UHFFFAOYSA-N 315.373 -0.027 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)c3ncccn3)C2)nc1 1044130233 YOJUKVKUEQHPHJ-NEPJUHHUSA-N 310.317 -0.277 30 20 DBED O=C(NCC1(O)CN(C(=O)C#CC2CC2)C1)c1ccc(O)nc1 1046491911 PHWZEDOQNLNOTI-UHFFFAOYSA-N 315.329 -0.496 30 20 DBED CC#CCN1C[C@H]2C[C@H](NC(=O)Cn3ncn(C)c3=O)C[C@H]1C2 1047096899 HHHCTAJRBUXRKA-MELADBBJSA-N 317.393 -0.426 30 20 DBED CN(C(=O)[C@@H]1CCn2cncc2C1)[C@H]1CN(CC#N)C[C@@H]1O 1047433001 ROMXAXXMTZMZQJ-XBFCOCLRSA-N 303.366 -0.527 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(C(N)=O)c2)C1 1047433195 CPJSNHLNIMMZDM-GJZGRUSLSA-N 315.373 -0.074 30 20 DBED CC(C)N(C)CC(=O)N(C)[C@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1O 1048973166 OJNVKWCDAGTQLG-AGIUHOORSA-N 310.398 -0.484 30 20 DBED C#CCCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2nc[nH]n2)C1 1049196275 HSWURFMNMQYDEG-RYUDHWBXSA-N 319.365 -0.358 30 20 DBED N#CCN1CCOC[C@H]1CNC(=O)c1cnc2[nH]nnc2c1 1050954608 AWOIBKCVAKDGAD-SNVBAGLBSA-N 301.310 -0.693 30 20 DBED C#CCCN1CCOC[C@H]1CNC(=O)c1cccnc1C(N)=O 1051253502 RTOAJYCGTWTODE-GFCCVEGCSA-N 316.361 -0.366 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)c1noc2c1COCC2 1051255880 UMVZMKRUFBXMNM-NSHDSACASA-N 305.334 -0.189 30 20 DBED C[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@@H]1CNC(=O)C#CC1CC1 1053170906 GWYQWNQUAOQSCZ-PWSUYJOCSA-N 316.365 -0.552 30 20 DBED Cc1noc(CN2CC3(C2)CN(C(=O)[C@H](C)C#N)CCO3)n1 1053193284 KQHAXXXKWNIWLV-SNVBAGLBSA-N 305.338 -0.049 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)c3cc4n(n3)CCO4)CO2)C1 1053831072 ULBSYSLAMGCNCM-LLVKDONJSA-N 302.334 -0.518 30 20 DBED CC(=O)N1CCN(c2cncc(C#N)n2)[C@H]2CS(=O)(=O)C[C@H]21 1054767357 IJJNLXGRQUSFOJ-NEPJUHHUSA-N 321.362 -0.818 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@](CO)(NC(=O)c2cnnn2C)C1 1055918924 QSDZQKPQXWCHTL-QMTHXVAHSA-N 320.353 -0.942 30 20 DBED N#Cc1cnc(N2C[C@@H]3C(NC(=O)c4cc[n+]([O-])cc4)[C@H]3C2)cn1 1056100978 WWFUMBXGULYYIA-STQMWFEESA-N 322.328 -0.154 30 20 DBED N#Cc1cccnc1N1C[C@@H]2C(NC(=O)[C@H]3CCC(=O)N3)[C@H]2C1 1056146378 FSRHUTHFUQBCLS-SDDRHHMPSA-N 311.345 -0.217 30 20 DBED Cn1c(C(=O)N2CC[C@@H](N=c3cc[nH]c(C#N)n3)C2)cnc1O 1056744732 FZUOPJJKBCBWBI-SECBINFHSA-N 313.321 -0.464 30 20 DBED C#CCOCCC(=O)NCCN(CCO)C(=O)c1cnccn1 1056835401 ONKFNKLNBYSWJK-UHFFFAOYSA-N 320.349 -0.933 30 20 DBED C#CCOCCC(=O)NCCN(CCO)C(=O)Cc1ccoc1 1057418642 GNTNDLIRKNAXIN-UHFFFAOYSA-N 322.361 -0.201 30 20 DBED C[C@H](C(=O)NCCN(CCO)C(=O)C#CC1CC1)n1cccn1 1057531401 MPADCSCSKIICOJ-CYBMUJFWSA-N 318.377 -0.205 30 20 DBED N#Cc1nc(=N[C@@H]2CCCN(C(=O)[C@H]3COCCO3)C2)cc[nH]1 1057589825 MCDGRVWKHWKGQS-VXGBXAGGSA-N 317.349 -0.412 30 20 DBED C=CCCOCC(=O)N(CCO)CCNC(=O)[C@H](C)OC 1057918920 FGEBLFKBELCXDA-LBPRGKRZSA-N 302.371 -0.449 30 20 DBED N#Cc1cnc(N2CCC(NC(=O)[C@@H]3CCNC3=O)CC2)cn1 1057925183 RVMWVXNDBYMSHM-GFCCVEGCSA-N 314.349 -0.431 30 20 DBED COc1cc(C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N)ncn1 1058657030 OUNXNMHQBOPZQG-JTQLQIEISA-N 321.337 -0.804 30 20 DBED N#Cc1nccnc1N[C@H]1CCN(C(=O)[C@@H]2CCCNC2=O)C1 1058984870 ADPJCHUMTVQIDI-WDEREUQCSA-N 314.349 -0.113 30 20 DBED N#Cc1cnc(N[C@H]2C[C@H](NC(=O)[C@@H]3CNC(=O)N3)C2)c(F)c1 1059392041 QAWYHNQAXRIXKG-QXEWZRGKSA-N 318.312 -0.167 30 20 DBED N#Cc1cncc(N[C@H]2C[C@@H](NC(=O)[C@@H]3CC[C@@H]3C(N)=O)C2)n1 1059784179 HELBCGXGKXKYPP-BSJXLVFVSA-N 314.349 -0.081 30 20 DBED C=CCOCC(=O)NCC[C@@H]1CCN(C(=O)Cn2cncn2)C1 1060424098 FPBBTVZPQAATIF-CYBMUJFWSA-N 321.381 -0.165 30 20 DBED COCCC(=O)N1CCOC[C@H]1CNC(=O)CSCC#N 1061319211 CBLWGNMAUJYWMI-LLVKDONJSA-N 315.395 -0.377 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCOC[C@@H]1CNC(=O)c1cn[nH]c1 1061347150 YFOQUIIHNPGUBC-AAEUAGOBSA-N 322.365 -0.042 30 20 DBED N#Cc1cnc(N2C[C@@H]3C[C@H]2CN3C(=O)Cc2nc[nH]n2)cn1 1062528469 XNZRHQPJOQYNAM-QWRGUYRKSA-N 310.321 -0.501 30 20 DBED C#CCNC(=O)CC(=O)NC1(CNC(=O)[C@@H](CC)OC)CCC1 1062675371 KEHBZTOXMHJBFZ-GFCCVEGCSA-N 323.393 -0.294 30 20 DBED Cc1nc(CC(=O)NCC2(NC(=O)[C@H](C)C#N)CCC2)n[nH]1 1062983110 LCRAXNPTZRXASJ-SECBINFHSA-N 304.354 -0.030 30 20 DBED C=C[C@@](C)(O)CC(=O)NC1(CNC(=O)[C@@H]2CNC(=O)N2)CCC1 1064272536 PEDNIRUSTFXXBG-IINYFYTJSA-N 324.381 -0.850 30 20 DBED N#Cc1cnccc1N1C[C@H](O)[C@H](CNC(=O)c2cc[nH]n2)C1 1067650829 CSQVAHBNLKHUNC-RISCZKNCSA-N 312.333 -0.097 30 20 DBED C#CCN1CCn2ncc(CNC(=O)[C@@H]3C[C@@H]3C(=O)OC)c2C1 1069854469 JXDWFHPNLHDCNX-OLZOCXBDSA-N 316.361 -0.243 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCCN(C(=O)c2ccc[nH]2)C1 1070417543 ITZRAYFUJAHOCP-GFCCVEGCSA-N 316.361 -0.125 30 20 DBED C=CCN[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1c1cncn1C 1070679161 IMGKLRUPFGFTQH-GHMZBOCLSA-N 316.369 -0.673 30 20 DBED C#CCN1CC[C@@]2(C1)CN(C(=O)c1nccnc1N)C[C@@H](C)O2 1071147079 OCWHAUZBVPOAJX-MLGOLLRUSA-N 315.377 -0.003 30 20 DBED CC#CCN1C[C@@H](NC(=O)CN2CCN(C)C(=O)C2)CC[C@@H]1C 1071619736 UAYSRNHAYUUJPX-GJZGRUSLSA-N 320.437 -0.247 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CN(C(=O)COCCC)C[C@H]1C 1071754616 BBXJPKIXWXKYNX-OLZOCXBDSA-N 323.393 -0.484 30 20 DBED N#CCN1CCC2(C1)CN(C(=O)Cc1ccc(C(N)=O)nc1)C2 1072854532 PYYSUKSLMXTNQF-UHFFFAOYSA-N 313.361 -0.219 30 20 DBED Cn1ncc(C(=O)N2CC[C@@H]3OCCN(CC#N)[C@H]3C2)c1N 1074222825 NSLWBHNDGLMBBV-RYUDHWBXSA-N 304.354 -0.559 30 20 DBED CC#CCN1CCO[C@@H]2CCN(C(=O)c3ncn(C)n3)C[C@H]21 1074226571 SJZBICGFWDYSMO-CHWSQXEVSA-N 303.366 -0.246 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CCN(C(=O)Cn2ccnc2)CC1 1074631871 KBDQBVXLJDHYSJ-LBPRGKRZSA-N 319.365 -0.488 30 20 DBED CC[C@@H](C(=O)N1CCC(O)(CNC(=O)[C@@H](C)C#N)CC1)N(C)C 1074647200 OILZPTRFSIYQKV-STQMWFEESA-N 324.425 -0.044 30 20 DBED N#CCN1C[C@@H]2CCN(C(=O)[C@H]3CN4CC5CC4(CO3)C5)[C@@H]2C1 1076070331 DXPSHQJAGVPALY-IIQDSTNVSA-N 316.405 -0.094 30 20 DBED N#CCN[C@@H]1C[C@H](NC(=O)CN2CC(=O)NC2=O)C12CCC2 1078750839 YOEBJSXTRSQRAA-ZJUUUORDSA-N 305.338 -0.921 30 20 DBED Cn1cnn(CC(=O)N2C[C@H]3CC[C@H]2[C@@H](NCC#N)C3)c1=O 1078981020 FLPYFKBKASDZFI-SRVKXCTJSA-N 304.354 -0.926 30 20 DBED C=CCOCC(=O)N1CC(N(CC)C(=O)CN2CCCC2=O)C1 1079289691 KIXLJECYNDUKBM-UHFFFAOYSA-N 323.393 -0.129 30 20 DBED C#CCNC(=O)CC(=O)N(CC)C1CN(C(=O)C[C@H](C)OC)C1 1079644960 ZBFHWRJKFQGTCD-LBPRGKRZSA-N 323.393 -0.390 30 20 DBED C#CCOCCC(=O)N(CC)C1CN(C(=O)c2cn(C)nn2)C1 1079772100 GQBNVVBGHOQREM-UHFFFAOYSA-N 319.365 -0.472 30 20 DBED C=C(C)CN1C[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)[C@H](C)C1 1080771255 BPDYBKPDDQDQRG-VXGBXAGGSA-N 308.382 -0.107 30 20 DBED C=CCCOCC(=O)N1C[C@H](O)[C@H](CNC(=O)COCC)C1 1081223356 MIQMPHJYNMLZCQ-OLZOCXBDSA-N 314.382 -0.449 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)CCOC)C[C@H]1O 1081346615 KKLZAOVGCGWQKI-NWDGAFQWSA-N 300.355 -0.839 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)CC(C)(C)O)C[C@@H]1O 1081347412 VWTIGVFHHUNUFN-RYUDHWBXSA-N 314.382 -0.715 30 20 DBED CCC(=O)NCC(=O)N1C[C@@H](O)[C@H](CNC(=O)C#CC(C)C)C1 1081462843 GGNWZSQGVARQFF-CHWSQXEVSA-N 323.393 -0.893 30 20 DBED C#CCCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CC(=O)N(C)C)C1 1081495774 ASVRKNGEAJWROU-QWHCGFSZSA-N 323.393 -0.796 30 20 DBED COCC1(C(=O)NC[C@H]2CN(C(=O)C#CC3CC3)C[C@H]2O)CC1 1081597965 LTGSEKJRXDTJFN-UONOGXRCSA-N 320.389 -0.238 30 20 DBED C#CCN1C[C@@H](NC(=O)C2CCN(C(C)=O)CC2)[C@H](OC)C1 1082363231 UMAUFPGEQYTAIL-HUUCEWRRSA-N 307.394 -0.307 30 20 DBED C=CCCn1cc(C(=O)N[C@@H]2CN(C[C@H](C)OC)C[C@@H]2O)nn1 1083846681 MHHTWFBVULEHNV-SCRDCRAPSA-N 323.397 -0.336 30 20 DBED C#CCN[C@H]1C[C@@H](CNC(=O)[C@@H]2CC(=O)N(CCOC)C2)C1 1086100525 FLLLAFQXLWOIJJ-MCIONIFRSA-N 307.394 -0.401 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@H]1CC 1087577882 OJBIINQIVXDEIS-NWDGAFQWSA-N 320.397 -0.078 30 20 DBED C#CCN1C[C@H](NC(=O)[C@H]2CCNC2=O)CC2(CCOCC2)C1 1089947279 BDLHCFZKYWSWSG-KGLIPLIRSA-N 319.405 -0.257 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2cnn3ncccc23)[C@H](O)C1 1090332228 UHDCBMFKSNKUBK-UKRRQHHQSA-N 313.361 -0.082 30 20 DBED C#CCN1CC[C@@H](NC(=O)Cc2cnn3c2CCCC3)[C@@H](O)C1 1090335401 AVGOVHVYCPHGAW-ZBFHGGJFSA-N 316.405 -0.054 30 20 DBED N#CCN1CC[C@H](NC(=O)c2ccc3c(n2)OCCO3)[C@@H](O)C1 1090395159 ZVXZDRKRVGHMBI-JQWIXIFHSA-N 318.333 -0.459 30 20 DBED CC(C)(O)CC(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1O 1090413747 XRJJUBRSTBYWDK-GHMZBOCLSA-N 305.338 -0.825 30 20 DBED C=CCN1CC[C@@H](NC(=O)c2ccn3nnnc3c2)[C@@H](O)C1 1090485019 FFYYBTGAJPBNNV-NEPJUHHUSA-N 302.338 -0.525 30 20 DBED CS[C@H](C)C(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1091065684 GRUQAKMRNCXJTO-IEBDPFPHSA-N 307.379 -0.235 30 20 DBED N#CCNC1CC(CNC(=O)[C@H]2CCc3nnc(O)n3C2)C1 1091105792 URABJHZLXJANFL-YVNMAJEFSA-N 304.354 -0.446 30 20 DBED C=CCN1CC2(C[C@H](NC(=O)Cn3cnnn3)c3nccn32)C1 1092347710 DIMZMXNTNZAJOI-NSHDSACASA-N 314.353 -0.672 30 20 DBED COC(=O)NCC(=O)NC1[C@H]2CN(c3ccncc3C#N)C[C@H]12 1093239890 OIBLHACGNFQRTB-QWRGUYRKSA-N 315.333 -0.140 30 20 DBED C#Cc1ccc(C(=O)NCCNc2nccn3nnnc23)cn1 1093765958 DLRZWTLSBUEYHS-UHFFFAOYSA-N 308.305 -0.263 30 20 DBED N#CCN1CC(n2cc(CNC(=O)[C@H]3C[C@@]34CCOC4)nn2)C1 1094334570 VWKNNMPOGVBBRO-UKRRQHHQSA-N 316.365 -0.299 30 20 DBED C#CCN1CCN(C(=O)Cc2ccc[nH]2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094682390 RCUZLEHKLJQUDU-UONOGXRCSA-N 321.402 -0.500 30 20 DBED CC#CCN1CC(N2C[C@@H](NC(=O)c3cnns3)CC2=O)C1 1094711827 OJHBHSJVOLRNJF-JTQLQIEISA-N 319.390 -0.424 30 20 DBED CCS(=O)(=O)CC(=O)N1CC[C@@H](Nc2nccnc2C#N)C1 1095043507 XYQQQEQZUMKVCS-SNVBAGLBSA-N 323.378 -0.204 30 20 DBED C#CCN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1nccnc1C(N)=O)C2 1095051156 VYURQGWZRHUTLR-TUAOUCFPSA-N 313.361 -0.209 30 20 DBED N#Cc1ccc(N[C@H](CNC(=O)Cn2cnnn2)C2CC2)nn1 1096568367 XLRXKKCYIUJPMP-LLVKDONJSA-N 313.325 -0.658 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCCNC1=O)N=c1cc[nH]c(C#N)n1 1098120991 RAJTZWHTCQLOFS-UWVGGRQHSA-N 302.338 -0.787 30 20 DBED Cc1nsc(N[C@@H](C)CNC(=O)[C@@H]2CNC(=O)N2)c1C#N 1098251629 XCRJZEHSYPUIFZ-RCOVLWMOSA-N 308.367 -0.079 30 20 DBED C[C@H](CNC(=O)c1nnc(O)nc1O)Nc1ccc(C#N)cn1 1098435601 PBIFEZWFZZHNRM-SSDOTTSWSA-N 315.293 -0.220 30 20 DBED N#Cc1nc(=NC[C@H]2CCN(C(=O)CCNC(N)=O)C2)cc[nH]1 1098529608 OWWMUSUUQVYQAS-SNVBAGLBSA-N 317.353 -0.911 30 20 DBED C[C@H](CCNC(=O)[C@@H]1CCC(=O)N1)N=c1cc[nH]c(C#N)n1 1099361695 JQNVMJYEYKSFEW-ZJUUUORDSA-N 302.338 -0.645 30 20 DBED N#CCNC(=O)CN1CC[C@H](NC(=O)C2CCCCC2)[C@H](O)C1 1099639185 HVWVODBEODVLGM-UONOGXRCSA-N 322.409 -0.242 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)c2cc[nH]c2)[C@H](O)C1 1099842792 WXSGMRDFBCHWAF-QWHCGFSZSA-N 306.366 -0.518 30 20 DBED Cc1cc(C#N)nc(N(C)CCNC(=O)CCc2cnn[nH]2)n1 1100334846 WRWLRYGUJLKLFG-UHFFFAOYSA-N 314.353 -0.040 30 20 DBED CN(CCNC(=O)[C@H]1CCC(=O)NC1)c1ccnc(C#N)n1 1100404364 XLPDTGZAYTUERC-JTQLQIEISA-N 302.338 -0.573 30 20 DBED N#Cc1ccc(N2CCC[C@@H]2CNC(=O)CNC(N)=O)nn1 1100779124 AKUNVIIDKZEUJO-SNVBAGLBSA-N 303.326 -0.898 30 20 DBED COC[C@@H](C)C(=O)N1C[C@H]2CN(CC(=O)NCC#N)C[C@@]2(C)C1 1101171477 BYAWYHSBNBMKCZ-IOASZLSFSA-N 322.409 -0.311 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)[C@H](C)COC)C1 1101813669 BIKGVTLTZWAENR-MGPQQGTHSA-N 309.410 -0.298 30 20 DBED CCNC(=O)NC(=O)CN1C[C@@H](C)[C@H](CNC(=O)[C@@H](C)C#N)C1 1101823834 NMFIUKBJHOAYMX-QJPTWQEYSA-N 323.397 -0.324 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)[C@]1(C)CCC(=O)N1 1101934156 MIVBONDTYVOIMS-AWEZNQCLSA-N 302.338 -0.691 30 20 DBED CC[C@H](CNC(=O)[C@@H]1COC(=O)N1)Nc1cncc(C#N)n1 1103053303 RDKJLCKJTOVLSE-SCZZXKLOSA-N 304.310 -0.237 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)CNc1cnc(C#N)cn1 1104183014 ABOBHBMMKWXYLN-SCZZXKLOSA-N 303.326 -0.806 30 20 DBED N#Cc1cncc(NC[C@@H](O)CNC(=O)c2cnns2)n1 1105723576 SSUVMRFJMCXTHL-MRVPVSSYSA-N 305.323 -0.597 30 20 DBED Cc1nc(NC[C@H](O)CNC(=O)C#CC2CC2)nc(N(C)C)n1 1105826118 YSAUXCZBVQUELO-GFCCVEGCSA-N 318.381 -0.452 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)c2cnsn2)C[C@H]1C 1105868075 CBFJPEFXJFVAOP-GHMZBOCLSA-N 321.406 -0.415 30 20 DBED COCC1(C(=O)NC[C@H](O)CN=c2cc[nH]c(C#N)n2)CCC1 1106026782 RJZPRXFKVGQBJD-LLVKDONJSA-N 319.365 -0.524 30 20 DBED C[C@H](CCNc1cnc(C#N)cn1)NC(=O)[C@H]1COC(=O)N1 1106314009 ULFGJGDTTDQCJS-PSASIEDQSA-N 304.310 -0.237 30 20 DBED C[C@H](CCNc1cnc(C#N)cn1)NC(=O)[C@@H]1CCNC1=O 1106515255 IMEADNPQDYEPAZ-MWLCHTKSSA-N 302.338 -0.209 30 20 DBED CC(=O)N(C)CC(=O)NC/C=C\CN=c1cc[nH]cc1C#N 1107039013 INCTZNVFMABCKS-ARJAWSKDSA-N 301.350 -0.062 30 20 DBED C=C[C@@](C)(O)CC(=O)NCc1cn(C2CN(CCOC)C2)nn1 1107164136 RNWPWIYXWCRUPF-OAHLLOKOSA-N 323.397 -0.276 30 20 DBED N#Cc1ccc(NC/C=C\CNC(=O)CCNC(N)=O)nn1 1107190275 VDVHBRARVVHCCJ-UPHRSURJSA-N 303.326 -0.509 30 20 DBED N#Cc1nc(=NC/C=C\CNC(=O)c2cncnc2O)cc[nH]1 1107388340 ZSDLDJJHYIJLBC-UPHRSURJSA-N 311.305 -0.336 30 20 DBED N#Cc1cnc(NC/C=C/CNC(=O)C(=O)NCC(F)F)cn1 1107403096 SMHZZLHLWCXOJF-OWOJBTEDSA-N 324.291 -0.186 30 20 DBED C[C@H](CNc1cncc(C#N)n1)NC(=O)[C@@H]1CN(C)CCO1 1107667233 SOSBENLBOCOQHJ-PWSUYJOCSA-N 304.354 -0.405 30 20 DBED CC(=O)N1CC(C(=O)N[C@H](C)CNc2cnc(C#N)cn2)C1 1107695902 TVCSKLBJPOCRJF-SECBINFHSA-N 302.338 -0.257 30 20 DBED C[C@@H](C(=O)N[C@H](C)CNc1cnc(C#N)cn1)N1CCOCC1 1107823557 FESBSLPGFIJXCZ-NEPJUHHUSA-N 318.381 -0.014 30 20 DBED CC#CCN1CCO[C@@](C)(CNC(=O)[C@H](C)S(C)(=O)=O)C1 1108026653 AZGICMWLTUJONM-JSGCOSHPSA-N 316.423 -0.350 30 20 DBED C[C@H](CNc1cncc(C#N)n1)NC(=O)[C@@H]1CCC(=O)N1C 1108047119 SZVDNLBXBGJMBN-KOLCDFICSA-N 302.338 -0.114 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)c2cn(C)ccc2=O)C1 1108064392 HRFCXBLBENCZDF-MRXNPFEDSA-N 303.362 -0.161 30 20 DBED CC(C)CO[C@@H](C)C(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1 1108514954 IQLHFLPQCNINGB-STQMWFEESA-N 322.409 -0.028 30 20 DBED Cc1cc(=NC[C@H](C)NC(=O)c2c[nH]c(=O)cn2)c(C#N)c[nH]1 1108661443 MGWMVVITEQRHFQ-JTQLQIEISA-N 312.333 -0.003 30 20 DBED CNC(=O)NCC(=O)N1CCC[C@H]1CNc1cncc(C#N)n1 1110565008 CVCBEWBZDRZMKI-NSHDSACASA-N 317.353 -0.320 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1nnn(C)n1 1110903259 DFYPAQSGVSWRHN-UTUOFQBUSA-N 304.354 -0.805 30 20 DBED C#CCNC(=O)CC(=O)N(CCO)CCNc1cc(C)ncn1 1111454555 INZVEJIEKBQMIT-UHFFFAOYSA-N 319.365 -0.843 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)c2cn(C)nc2C)CC1 1112713894 KTWKVWXNNMFLCY-CYBMUJFWSA-N 317.393 -0.376 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)C[C@@H]2COC(=O)C2)CC1 1112767162 HIVJELHXHWGCKL-STQMWFEESA-N 323.393 -0.226 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)[C@@H](C)Nc1nccnc1C#N 1112977740 FLUAUEMQGXXQTF-GHMZBOCLSA-N 314.349 -0.207 30 20 DBED Cc1cc(C#N)nc(N[C@H](C)[C@H](C)NC(=O)Cn2ncnn2)n1 1113192872 CJONHSOMEXJPPI-VHSXEESVSA-N 315.341 -0.352 30 20 DBED CNC(=O)NCC(=O)N[C@@H](C)[C@H](C)N=c1cc[nH]cc1C#N 1113349160 CLUZHNYHJRDYKG-UWVGGRQHSA-N 304.354 -0.391 30 20 DBED C=CCOCC(=O)NC[C@@H](C)N(C)c1ccc2nnnn2n1 1113540714 AEXQDVJOFYQFBP-SNVBAGLBSA-N 305.342 -0.337 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)CCCN2CCCC2)CC1 1113674692 GEBNXNGDWZEOBS-UHFFFAOYSA-N 321.425 -0.354 30 20 DBED C[C@@H](CNC(=O)[C@]1(C)CCC(=O)N1)N(C)c1cncc(C#N)n1 1113867079 MASLFZFLUCNNOX-BONVTDFDSA-N 316.365 -0.042 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CN(c2cnc(C#N)cn2)CC[C@@H]1C 1113993942 GTXSHDHETBUYIV-GXFFZTMASA-N 316.365 -0.185 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)C3=CCOCC3)[C@H]2C1 1114165191 DABMSGDKIPTFGV-RZFFKMDDSA-N 317.389 -0.483 30 20 DBED CCn1ccnc1C(=O)NC1[C@H]2CN(CC(=O)NCC#N)C[C@H]12 1114189512 QDTCKQKGUMMQSY-QWRGUYRKSA-N 316.365 -0.797 30 20 DBED C#CCOCCC(=O)N[C@H]1[C@@H]2CN(CC(=O)NCCC)C[C@@H]21 1114265451 DXTFZZAWMQQOHI-VIKVFOODSA-N 307.394 -0.401 30 20 DBED C#CCOCCC(=O)N[C@H]1[C@@H]2CN(CC(=O)NC(C)C)C[C@@H]21 1114265816 JMDIIVWIKMKIMD-VIKVFOODSA-N 307.394 -0.403 30 20 DBED Cc1ncnc(O)c1CCC(=O)NC1[C@H]2CN(CC#N)C[C@H]12 1114516283 UZOJVNIEBMTZSX-RYUDHWBXSA-N 301.350 -0.007 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@@H](OC)C3CCC3)[C@H]2C1 1114639043 PLKZHZFQKYPRBH-XNISGKROSA-N 319.405 -0.403 30 20 DBED CC(C)(C(=O)NC1[C@H]2CN(CC(=O)NCC#N)C[C@H]12)C(F)F 1114816682 GXJFEKVGIKSDNG-IUCAKERBSA-N 314.336 -0.036 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)[C@H]3OCC[C@H]3C)[C@@H]2C1 1114855785 DOCQWXMVJVAXHV-BLTAXRJOSA-N 307.394 -0.240 30 20 DBED COCCC(=O)NCCOCCN(C)c1cncc(C#N)n1 1115162920 BWUROOKFGHOWMF-UHFFFAOYSA-N 307.354 -0.046 30 20 DBED Cc1nc(N(C)CCOCCNC(=O)CC(N)=O)ccc1C#N 1115200213 TXKLQQHZDNBDSA-UHFFFAOYSA-N 319.365 -0.294 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)NCC1=CCCC1 1118712035 XUYTZRBPTLUDJV-UHFFFAOYSA-N 300.380 -0.070 30 20 DBED C=CCNC(=O)Cn1nnnc1N1CC[S@@](=O)C[C@@H](C)C1 1120156121 MSWYTKRKHRGVTL-CHNSCGDPSA-N 312.399 -0.820 30 20 DBED C#CCN1CCC[C@H]1c1nnc(N2CCO[C@H](C(N)=O)C2)n1C 1121313393 WTWJPUPMFKMGQC-RYUDHWBXSA-N 318.381 -0.724 30 20 DBED Cc1[nH]nc(C(=O)NC[C@H](CO)Nc2nccnc2C#N)c1O 1121455265 ORJCJHJMZQBFOR-MRVPVSSYSA-N 317.309 -0.712 30 20 DBED Cn1ccc(C(=O)NC[C@@H](CO)Nc2nccnc2C#N)n1 1121583234 ZIUVDASRGDEFOD-VIFPVBQESA-N 301.310 -0.715 30 20 DBED Cc1conc1C(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1 1121976575 BQPQKYQAOLZNRK-SECBINFHSA-N 302.294 -0.731 30 20 DBED N#Cc1cnc(N[C@@H](CO)CNC(=O)CO[C@@H]2CCOC2)cn1 1122072863 ZDHSSCWVEVXPMZ-VXGBXAGGSA-N 321.337 -0.957 30 20 DBED CN(C[C@H](O)CNc1ccc(C#N)nn1)C(=O)[C@@H]1CCCO1 1124066214 STRAGLTVYUQSAW-NEPJUHHUSA-N 305.338 -0.242 30 20 DBED CN(C[C@H](O)CN(C)c1ccncc1C#N)C(=O)CC(N)=O 1125023851 HQYCZDUQBSEQDV-LLVKDONJSA-N 305.338 -0.916 30 20 DBED C#CCNC(=O)CC(=O)NCCN[C@H](C)C(=O)NC(CC)CC 1125998056 JIBJGDYDHXTXDG-GFCCVEGCSA-N 324.425 -0.475 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCNCC(=O)NC[C@H]1CCOC1 1126377629 CMQBLEMGFRKZOX-IUODEOHRSA-N 313.398 -0.828 30 20 DBED C=CCn1cccc1C(=O)NCCNCCN1C(=O)CNC1=O 1129502950 SWPGMGOQSBJSQZ-UHFFFAOYSA-N 319.365 -0.455 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@H]1CC[C@H]2CCCCN21 1130187506 WTNUAYVTHBTBMR-ZIAGYGMSSA-N 306.410 -0.542 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@@H]1Cc2ccccc2O1 1131019231 VUFNRAMXMIWJII-AWEZNQCLSA-N 303.362 -0.002 30 20 DBED C#CCN1CC[C@]2(C1)CN(C(=O)C1(C(=O)NC)CC1)C[C@@H](C)O2 1131687522 BLZPQPCCWZZRAL-CJNGLKHVSA-N 319.405 -0.162 30 20 DBED C=CCNC(=O)CNCCNC(=O)CCc1cn(C)nc1C 1134717887 RJBDIIXAKLLVAX-UHFFFAOYSA-N 307.398 -0.331 30 20 DBED C=CCn1cc(C(=O)NCCNCc2nnc(CC)o2)nn1 1134969548 JFDNSCWOWHAPAA-UHFFFAOYSA-N 305.342 -0.071 30 20 DBED C=CCN(CC=C)C(=O)CN[C@H](C)C[C@H](C)NC(=O)C(N)=O 1135353166 CTRUTTYOWHZEDP-NEPJUHHUSA-N 310.398 -0.455 30 20 DBED COCC#CCN1CCC2(C1)CN(C(=O)COCCOC)C2 1147261069 OWLCLRVSZJCUPG-UHFFFAOYSA-N 310.394 -0.167 30 20 DBED COCCC1(NC(=O)[C@@H]2COCCO2)CCN(CC#N)CC1 1150964801 HXYZUTBNOKSVSQ-ZDUSSCGKSA-N 311.382 -0.087 30 20 DBED COCCC1(NC(=O)[C@H](C)NC(N)=O)CCN(CC#N)CC1 1151090674 AWEIWBDDMXNEJQ-NSHDSACASA-N 311.386 -0.446 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)c1ncccc1O 1152975189 NRTGXWCARMBVPS-GFCCVEGCSA-N 318.377 -0.023 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)CCC(=O)NCC 1155684010 HYDSWCYMIRIRED-GFCCVEGCSA-N 312.414 -0.311 30 20 DBED COCC1(CNC(=O)Cn2cnnn2)CCN(CC#N)CC1 1162091760 TVNWKXZGJHDCRA-UHFFFAOYSA-N 307.358 -0.959 30 20 DBED C=CCNC(=O)CNCCCNC(=O)c1cc(=O)c(OC)co1 1162570944 MGMYSRJIJURFLO-UHFFFAOYSA-N 323.349 -0.340 30 20 DBED C#CCCCC(=O)NCCC1(CNCC(=O)NC(N)=O)CC1 1164297741 LVEDYWUJHDLFHK-UHFFFAOYSA-N 308.382 -0.139 30 20 DBED Cc1cc(O)ncc1C(=O)NCCCNCC(=O)NCC#N 1166387073 CYYMEKMKEOBARB-UHFFFAOYSA-N 305.338 -0.555 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)[C@H]1CCC(=O)N(C)C1 1177025136 BVDKUTQBXBBHFL-OLZOCXBDSA-N 324.425 -0.359 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)[C@@H]1CCC(=O)N(C)C1 1177026463 SLRJDCKMWDFHOD-CHWSQXEVSA-N 322.409 -0.911 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)CNC(=O)CC)[C@H]1C 1178383610 CBCMQRFKIOUHBP-AGIUHOORSA-N 324.425 -0.218 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@H](NCC(=O)NCC#N)[C@@H]1C 1178679138 ZRFBDXPWTDQTJZ-AVGNSLFASA-N 306.366 -0.757 30 20 DBED C#CCCNC[C@]1(C)CN(C(=O)c2nnc(O)nc2O)C[C@H]1C 1182038510 QQZKNBBHFIMQRS-MEBBXXQBSA-N 319.365 -0.006 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)Cc2ncc[nH]2)C1 1186585529 ZLNUEGCTYYHPMI-VXGBXAGGSA-N 303.366 -0.719 30 20 DBED C#CCN[C@@H]1CCN(C(=O)CCCCCS(N)(=O)=O)C1 1188537097 SSENQOMAHRIZCX-GFCCVEGCSA-N 301.412 -0.341 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2nnn(C)c2C)C1 1189500025 LRMWEOYCPPHUST-LBPRGKRZSA-N 320.397 -0.428 30 20 DBED Cc1ccccc1C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1O 1190723691 GPUAGWIEYCPMIL-ZIAGYGMSSA-N 316.361 -0.590 30 20 DBED CC#CCN(C)[C@@H]1CCN(C(=O)CN(C)CC(=O)NC(C)C)C1 1191145752 YFBFKIKOFZLFTQ-OAHLLOKOSA-N 322.453 -0.001 30 20 DBED Cc1oncc1CN1C[C@@H](O)[C@H](NC(=O)CSCC#N)C1 1191161433 CADHTKGKIHTBGW-VXGBXAGGSA-N 310.379 -0.099 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)n2cccn2)C1 1191178539 RQCWMQOMSHORRA-MGPQQGTHSA-N 308.382 -0.192 30 20 DBED C=CCNC(=O)[C@@H](C)N(C)[C@H]1CCN(C(=O)c2cnn(C)n2)C1 1192847881 UCPZFPJKNJCMGV-NEPJUHHUSA-N 320.397 -0.348 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC[C@@H](N(C)CC(=O)NC(N)=O)C1 1194397717 YNTIYIPGBVODGI-WDEREUQCSA-N 312.370 -0.695 30 20 DBED C#CCCCCCC(=O)N[C@@H]1CN([C@H]2CCN(C)C2=O)C[C@H]1O 1195307106 OARPZFSAHKTRDG-QLFBSQMISA-N 321.421 -0.038 30 20 DBED CCOCCNC(=O)CN1CCCN(C(=O)[C@@H](C)C#N)CC1 1195315111 YPZJOWGOCONLJW-ZDUSSCGKSA-N 310.398 -0.167 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)CCn2cccc2)C1 1197189090 LEDDQASPDJGIKB-HUUCEWRRSA-N 305.378 -0.311 30 20 DBED O=C(CC#Cc1ccccc1)N[C@@H]1CN(CCCO)C[C@H]1O 1198933954 MNTDNPWFDGWWDP-HZPDHXFCSA-N 302.374 -0.028 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)c2cnnc(C)c2)CC1 1200231475 STGFNECMCUUQKZ-UHFFFAOYSA-N 315.377 -0.271 30 20 DBED C[C@H](NC[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)CCCO1)C(N)=O 1200299326 JWGZUSKJEQSJOK-GXFFZTMASA-N 319.365 -0.419 30 20 DBED C#CCNC[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CC)C2)CCCO1 1200636509 ZPKMHAWYGBQVCH-ZIAGYGMSSA-N 307.394 -0.305 30 20 DBED C#CCNC[C@H]1CN(C(=O)[C@H]2CCCC(=O)N2C)CCCO1 1201965350 KLUHHSGXXIYVHL-UONOGXRCSA-N 307.394 -0.162 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)c2nocc2C)CC1 1203203755 PXUQVPYOCXPSHE-UHFFFAOYSA-N 304.350 -0.073 30 20 DBED N#CCNC(=O)CNCC1CCN(C(=O)Cc2cc[nH]n2)CC1 1204868842 FTWTWUPQGONUGH-UHFFFAOYSA-N 318.381 -0.580 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)[C@@H](C)OCC#C)[C@H](C)C1 1206963705 LXQIRLCMGMGCFF-MGPQQGTHSA-N 305.378 -0.789 30 20 DBED C#CCCN[C@@H]1CCCN(C(=O)CS(=O)(=O)N(C)C)C1 1210899094 HICBZAKWQUVSIL-GFCCVEGCSA-N 301.412 -0.518 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(Cc2nncn2C)C[C@H]1OC 1212177902 AKTLAHWHOBCMEM-LALPHHSUSA-N 323.397 -0.542 30 20 DBED C#CCCCC(=O)N[C@@H]1CN([C@@H]2CCC(=O)NC2=O)C[C@H]1OC 1212187037 IONBHYUAIBGOKX-JHJVBQTASA-N 321.377 -0.590 30 20 DBED C#CCN1C[C@@H](NC(=O)C(C)(C)NC(=O)NCC)[C@H](OC)C1 1213523341 OXPZMKLKSONVRL-VXGBXAGGSA-N 310.398 -0.467 30 20 DBED C#CCN1C[C@@H](NC(=O)C2(NC(C)=O)CCCC2)[C@H](OC)C1 1213562005 YVQGXHBVCTYIAG-ZIAGYGMSSA-N 307.394 -0.116 30 20 DBED CC#CCN1C[C@@H](NC(=O)CCCn2cncn2)[C@H](OC)C1 1213678113 FEMDLFUBXQDIHB-ZIAGYGMSSA-N 305.382 -0.103 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H](C)OCC2CC2)C[C@H]1C 1214272551 LMQIBXQPXPLPJQ-UMVBOHGHSA-N 321.421 -0.013 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H](C)OCCOC 1218723504 QZYIMGTTWUUWSR-QLFBSQMISA-N 310.394 -0.027 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)COC[C@@H]1CCCO1 1219073876 VSVGNOIRXZCDEM-MELADBBJSA-N 309.366 -0.383 30 20 DBED CCC(CC)NC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@H](C)C#N)C1 1219383303 JZUALAFNUIMESE-RTXFEEFZSA-N 310.398 -0.388 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CN(CCOCC)C[C@@H]2O)nn1 1220508126 BTUUPDXCANATGV-YPMHNXCESA-N 309.370 -0.725 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](NC(=O)CS(=O)(=O)CC)C1 1221085883 WQBNHBJVOZRMKZ-NEPJUHHUSA-N 304.412 -0.451 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)CS(=O)(=O)CCCC)C1 1221105572 QEDHEKOSXMMQFU-OLZOCXBDSA-N 318.439 -0.061 30 20 DBED C=CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3cn(C)cn3)[C@@H]2C1 1221478003 OKMWHIGIXBVWQV-TZMCWYRMSA-N 317.393 -0.131 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)COCC=C)CC1 1222619448 RCZDUVSKDSDVPU-UHFFFAOYSA-N 307.394 -0.233 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)CN(C)C(C)=O)CC1 1226152075 BPYITZIDCKWIHZ-UHFFFAOYSA-N 310.398 -0.653 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC(NC(=O)c2cnon2)CC1 1229671032 UYLFUUVYDVBYJB-JTQLQIEISA-N 305.338 -0.598 30 20 DBED CC[C@@H](F)C(=O)NCC[C@@H]1CN(CC#N)CCS1(=O)=O 1230480277 AYERUHQQVXVWBT-GHMZBOCLSA-N 305.375 -0.137 30 20 DBED C=CCn1cc(CNC(=O)N[C@H](CO)c2cnn(C)c2)nn1 1261443053 ISPRLADPGKNKIE-GFCCVEGCSA-N 305.342 -0.270 30 20 DBED Cc1cc(NC(=O)C(=O)NCC(F)(F)CO)n(CCC#N)n1 1320570284 RPKDOSNYMUMTGV-UHFFFAOYSA-N 315.280 -0.213 30 20 DBED CCOC(=O)c1cnn(C)c1NC(=O)C(=O)NC[C@H](C)C#N 1320631136 ZXWBYEXKOFMVLH-MRVPVSSYSA-N 307.310 -0.189 30 20 DBED C=C(C)COCCNC(=O)C(=O)N[C@@H](C)CS(=O)(=O)CC 1322763127 JDUQWYPOUKRYHJ-NSHDSACASA-N 320.411 -0.365 30 20 DBED C#CCCCCNC(=O)C(=O)N(C)[C@@H](C)CS(C)(=O)=O 1322968245 GZZAXQNLVFYVGE-NSHDSACASA-N 302.396 -0.202 30 20 DBED N#Cc1ccc(NC(=O)C(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)cc1 1323859510 XGDLFSFMKHIHAT-NWDGAFQWSA-N 316.317 -0.354 30 20 DBED N#C[C@H]1CC[C@@H](NC(=O)C(=O)N2CCC3(CC2)CNC(=O)O3)C1 1333240115 GTAHPVDXAAFNRG-WDEREUQCSA-N 320.349 -0.104 30 20 DBED C#CCN1CCC[C@@H](NC(=O)N2CCN(C(=O)COC)CC2)C1 1333488296 AINFRQQYURKMBA-CQSZACIVSA-N 322.409 -0.416 30 20 DBED C#CCN1CCC[C@@H](NC(=O)N2CCS(=O)(=O)C[C@H]2C)C1 1333676233 BJWXZJMCDWEVBK-CHWSQXEVSA-N 313.423 -0.088 30 20 DBED C=C[C@](C)(O)C(=O)NCc1cn(C)nc1NC(=O)[C@](C)(O)C=C 1334373621 RDJXEDKKIBFSTB-LSDHHAIUSA-N 322.365 -0.151 30 20 DBED C=CCSCCn1nnnc1N1CCO[C@H](C(=O)OC)C1 1335243211 OUHWEZBQWBFULB-JTQLQIEISA-N 313.383 -0.030 30 20 DBED C#CCNC(=O)C1CCN(c2nnnn2C[C@H](C)OC)CC1 1336036700 PAXLFWDHTWEFIK-NSHDSACASA-N 306.370 -0.326 30 20 DBED N#CCOc1ccc(NC(=O)C(=O)NCCn2ncnn2)cc1 1337198745 QYUMFZVORLEPPX-UHFFFAOYSA-N 315.293 -0.670 30 20 DBED C=CCC1(O)CCN(C(=O)C(=O)N2CC[C@H](CNC)C2)CC1 1337601785 LHFZVTFWEDMLCV-CYBMUJFWSA-N 309.410 -0.016 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CCC(COC)CC2)nn1 1349044628 BYTYWHBGUAAVRV-UHFFFAOYSA-N 321.381 -0.035 30 20 DBED CC[C@@H](C)N(C)CCNC(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1349213719 XSFHBRHLPCUYNR-DOMZBBRYSA-N 310.398 -0.290 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)C(=O)N2CC[C@]3(CCOC3)C2)C1 1349345522 YNEXHACBAYOCAU-LSDHHAIUSA-N 307.350 -0.498 30 20 DBED C=CCCN(C)c1nnnn1[C@@H]1CCN(S(C)(=O)=O)C1 1352538138 OUNSUWLWRSABRB-SNVBAGLBSA-N 300.388 -0.108 30 20 DBED CCN1CCN(CC(=O)[C@@H](C#N)c2nccn2C)C(=O)C1=O 1356579085 WQDLELGRTRELDI-SNVBAGLBSA-N 303.322 -0.713 30 20 DBED C[C@H](C(=O)NCC1(C(N)=O)CCOCC1)n1cnc(C#N)n1 1361792972 QVZQBKPGMGETPI-SECBINFHSA-N 306.326 -0.891 30 20 DBED Cc1c(CC(=O)NCCn2cc(C#N)c(O)nc2=O)cnn1C 1363125665 AFYLJJYSSQOBKA-UHFFFAOYSA-N 316.321 -0.779 30 20 DBED N#Cc1ccncc1C(=O)N1CCS(=O)(=O)[C@H]2COCC[C@@H]21 1363250116 PZMQWMLUVVWIDS-STQMWFEESA-N 321.358 -0.019 30 20 DBED Cc1ccc(CNc2[nH]c(=O)n(C)c(=O)c2C#N)c(=O)n1C 1364180464 PBDDIIUEYZRYLF-UHFFFAOYSA-N 301.306 -0.436 30 20 DBED Cn1cc([C@@H]2CN(C(=O)Cn3cnc(C#N)n3)CCN2)cn1 1364363814 OTPJWQCUTYDBGE-NSHDSACASA-N 300.326 -0.944 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N[C@H](CO)C[C@H]1CCCO1 1364933463 GXVMMBJTZYXAFM-GRYCIOLGSA-N 305.400 -0.015 30 20 DBED CC(=O)NCC(=O)NC[C@H](O)CNCc1cccc(C#N)c1 1367570368 WRMYGQQNENBFNU-CQSZACIVSA-N 304.350 -0.739 30 20 DBED Cc1c(CC(=O)NC[C@@H](O)CNC(=O)[C@@H](C)C#N)cnn1C 1376624352 CXSGRBNLUPAILG-JOYOIKCWSA-N 307.354 -0.976 30 20 DBED C[C@@H](CNC(=O)[C@H](C)C#N)NC(=O)c1ccc(C(N)=O)nc1 1377767488 AVDUODVTMNNGEW-BDAKNGLRSA-N 303.322 -0.425 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)c2ccncc2)C1 1380107212 MUBSELDVFZRMKV-XHDPSFHLSA-N 302.334 -0.066 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(CCNC(=O)[C@@H]2CCCO2)CC1 1385521182 VLGVYNUPDSSDMA-STQMWFEESA-N 308.382 -0.415 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCNC(=O)[C@@H]1CCc2nnc(O)n2C1 1387839773 RKVUCCSIZYMWLV-VHSXEESVSA-N 320.353 -0.720 30 20 DBED COc1coc(CNC[C@@H](O)CNC(=O)[C@H](C)C#N)cc1=O 1406214890 LTOPMRQQCHOXOX-NXEZZACHSA-N 309.322 -0.625 30 20 DBED Cc1nnc2n1C[C@H](C(=O)NCCN(C)C(=O)[C@@H](C)C#N)CC2 1408585443 QMNTVAHOTNQEPR-CMPLNLGQSA-N 318.381 -0.117 30 20 DBED C=C(Cl)CNC[C@@H](O)CNC(=O)CN1CCCCC1=O 1422329998 OYMDRVRTHMIKAK-LLVKDONJSA-N 303.790 -0.182 30 20 DBED C[C@@H](C#N)C(=O)N(CCNC(=O)c1c[nH]c(C(N)=O)c1)C1CC1 1429888227 BHYLEPJEJWQFNS-VIFPVBQESA-N 317.349 -0.006 30 20 DBED C[C@H](NC(=O)CCc1cnn[nH]1)C1CN(C(=O)[C@H](C)C#N)C1 1509513720 KUCKDQLKGSENTQ-ZJUUUORDSA-N 304.354 -0.140 30 20 DBED C=CCOCCN[C@H]1CCN(C(=O)c2cc(=O)n(C)cn2)C1 1566766562 AOSSWUSPNWFWPJ-LBPRGKRZSA-N 306.366 -0.213 30 20 DBED N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)[C@H](N)CO)CC1 1574241403 LRQUROGBRKBTSR-ZIAGYGMSSA-N 306.341 -0.146 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](C)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 1574990985 HBSUOXZYGXJVHG-JGVFFNPUSA-N 316.325 -0.411 30 20 DBED Cc1nc(C#N)c(-c2nn[nH]n2)n1CC(=O)N=S(C)(C)=O 1581411293 UEQKAFFMMLOOFZ-UHFFFAOYSA-N 308.327 -0.503 30 20 DBED N#Cc1nc(NC(=O)c2csc(CO)n2)[nH]c1-c1nn[nH]n1 1581860617 KAIBWZSYBDVFQQ-UHFFFAOYSA-N 317.294 -0.337 30 20 DBED C#CCN(CC(=O)O)c1nnc(CS(C)(=O)=O)n1CC 1588427311 SYBHUNKHWYLJTK-UHFFFAOYSA-N 300.340 -0.633 30 20 DBED C#CCN1CCC[C@H](NC(=O)[C@H]2CCCN(CC(=O)O)C2=O)C1 1588431495 ZIBYUQOGSYWEPS-QWHCGFSZSA-N 321.377 -0.477 30 20 DBED C=CCNC[C@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCO1 1588664419 ZCBQUKSPPNTFHP-JTQLQIEISA-N 317.353 -0.189 30 20 DBED C=CC[C@@H](C(=O)O)N1CCN(C(=O)CN2CCOCC2)CC1 1588730713 VQXKPRPRUHHBCZ-ZDUSSCGKSA-N 311.382 -0.508 30 20 DBED C[C@](O)(CNS(=O)(=O)c1ccc(C#N)cc1F)C(=O)O 1589147292 CBDQZEDITPIZEK-NSHDSACASA-N 302.283 -0.189 30 20 DBED C[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N[C@@H](C#N)CO 1590028663 QVABAFYFRGLMLL-IUCAKERBSA-N 302.294 -0.365 30 20 DBED CCN(C[C@@H](C)C#N)C(=O)CN1CCC[C@H]1C(=O)NCC(=O)O 1596229737 HHJWWNDRAGXMCZ-RYUDHWBXSA-N 324.381 -0.340 30 20 DBED O=C(NCC#C[C@@H]1CCCCO1)NCCn1cc(C(=O)O)nn1 1601446943 DCHUNCJTZQLXKT-NSHDSACASA-N 321.337 -0.152 30 20 DBED N#Cc1cccc(OCC(=O)N2CCC(O)(C(N)=O)CC2)c1 1647295167 ZIKFYTJKUHPRMK-UHFFFAOYSA-N 303.318 -0.224 30 20 DBED C#CCNC(=O)[C@H](C)N1CC(NC(=O)[C@@H]2CCCCN2C)C1 1713827252 SIVKOZBLDXNCAP-JSGCOSHPSA-N 306.410 -0.591 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@@H](NC(=O)C2CCN(C)CC2)C1 1715005106 XOUYAALRLWYPIB-DZGCQCFKSA-N 320.437 -0.343 30 20 DBED C#CCNC(=O)CNC[C@H]1CCCN(C(=O)c2cnco2)C1 1752804760 KEJPJLLETQNIAS-GFCCVEGCSA-N 304.350 -0.134 30 20 DBED CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H](C)NCC(=O)NCC#N 1752902655 GEUJGBCHYCIMRN-ZIAGYGMSSA-N 323.441 -0.017 30 20 DBED C=CCCn1cc(C(=O)NCCN(C)Cc2cnn(C)n2)nn1 1753066236 PUWYSDQRQJOEMR-UHFFFAOYSA-N 318.385 -0.156 30 20 DBED COCC#CCNC[C@H](C)NC(=O)c1nc2nccc(C)n2n1 1754292256 CQPVACJJLNVAGT-NSHDSACASA-N 316.365 -0.210 30 20 DBED C=CCNC[C@@H]1CN(C(=O)c2cnc3c(c2)nnn3C)CCO1 1755004448 BIMGJSKROBVICA-GFCCVEGCSA-N 316.365 -0.020 30 20 DBED C#CCNCC1(O)CCN(C(=O)[C@@H](OC)[C@@H]2CCOC2)CC1 1755151488 HKNBRWROGIFSKF-KGLIPLIRSA-N 310.394 -0.386 30 20 DBED CC#CCN1CC(CCO)(NC(=O)c2ccc(C(N)=O)o2)C1 1755333544 CKKOMTBMEDSEQO-UHFFFAOYSA-N 305.334 -0.432 30 20 DBED Cc1coc(C(=O)NC2(CCO)CN(CC(=O)NCC#N)C2)c1 1755335184 YJISKEJCHLGVKG-UHFFFAOYSA-N 320.349 -0.606 30 20 DBED COCC#CCN(C)CCOCCNC(=O)C1=COCCO1 1755538327 PUARNMYHGYJQTM-UHFFFAOYSA-N 312.366 -0.411 30 20 DBED C=CCNC(=O)[C@@H](C)NC[C@@H](O)CN(C)C(=O)c1nc(C)c[nH]1 1755790931 FKNZFGIZPHJBEW-VXGBXAGGSA-N 323.397 -0.569 30 20 DBED C#CCOCCC(=O)N[C@@H](C)C1CN(C(=O)c2cnnn2C)C1 1756142086 ONXCSOYUVPHHDU-NSHDSACASA-N 319.365 -0.568 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H](CO)CNC(=O)c1ncccc1F 1756544709 CRASBGOTZKDXSE-WDEREUQCSA-N 323.324 -0.534 30 20 DBED C#CC(=O)N1CCO[C@]2(CCN(C(=O)Cc3cc[nH]n3)C2)C1 1782797141 KDQHPFNEWWJLOW-HNNXBMFYSA-N 302.334 -0.585 30 20 DBED C#CCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cnnn1 1796298038 ISXOHKBLVYTAKW-CLLJXQQHSA-N 316.365 -0.275 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C(=O)OC)CC1 1800557925 ZMLMZSLNSAPJAH-PTEHBNRSSA-N 320.345 -0.838 30 20 DBED C=CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)NC=O)C2 1801001875 CUHVZRZMNKQPOB-NRWUCQMLSA-N 309.366 -0.713 30 20 DBED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)c2ccncn2)C1 1843472196 WNGBBZCTEOTQLH-UHFFFAOYSA-N 314.301 -0.618 30 20 DBED Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCO[C@@H](C(N)=O)C1 51892012 GLMUOXMTSJRKRM-GFCCVEGCSA-N 316.317 -0.482 30 20 DBED C[C@@H](CC#N)NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1 64345093 IGHFLEZWVJTYOS-QMMMGPOBSA-N 303.365 -0.086 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(CC(=O)N[C@@H](C)CC)CC1 124286059 PLBOSJROQINSMY-KBPBESRZSA-N 308.426 -0.343 30 20 DBED C[C@@H]1CN(c2nccnc2C#N)CCN1CCC(=O)NC(N)=O 268252759 CHQWLBKIORPGJH-SNVBAGLBSA-N 317.353 -0.556 30 20 DBED C=CCCOCCNC(=O)N1CCN(S(C)(=O)=O)CC1 270156856 AEKNIVPTSNIAQD-UHFFFAOYSA-N 305.400 -0.134 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCC(=O)C(C)(C)C)C1=O 270559139 SBJIWKGJTJWECN-UHFFFAOYSA-N 309.322 -0.305 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@H](C)[C@@H]2CO)C1=O 275942546 CFEBRRDRXXVGKU-ZJUUUORDSA-N 309.322 -0.808 30 20 DBED CCOC(=O)CO/N=C(/C(=O)N1CC(N(C)C)C1)c1cc[nH]n1 278658140 NXCNAQZIXGGZSO-GHRIWEEISA-N 323.353 -0.534 30 20 DBED COCCN(CCC#N)S(=O)(=O)NCc1nccn1C 282203744 FZIFBWCTUHGLCZ-UHFFFAOYSA-N 301.372 -0.383 30 20 DBED COCCCN(C)CCNC(=O)NCCn1cnc(C#N)n1 287352413 HQDUJFCFFUDURY-UHFFFAOYSA-N 309.374 -0.583 30 20 DBED CN(CCOCC1CC1)S(=O)(=O)N1CCO[C@@H](C#N)C1 336900685 QKYVOPLZJKDZNH-LBPRGKRZSA-N 303.384 -0.186 30 20 DBED COCCO[C@@H]1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)C1 337156802 PEKICAPZWDIISL-NEPJUHHUSA-N 319.383 -0.807 30 20 DBED N#Cc1ccc(NC(=O)C(=O)NC[C@]2(O)CCOC2)c(F)c1 339153028 UCHDFPJFYWADHR-CQSZACIVSA-N 307.281 -0.097 30 20 DBED N#Cc1cccc(NC(=O)CN2CC[C@H](S(N)(=O)=O)C2)c1 339839219 AKODRZXXFWUUAI-LBPRGKRZSA-N 308.363 -0.140 30 20 DBED C=CCNS(=O)(=O)c1ccc(C(=O)Nc2nn[nH]n2)cc1 342861676 VBYDNWLETHALRQ-UHFFFAOYSA-N 308.323 -0.084 30 20 DBED CN1C[C@@H](NC(=O)c2ccn(-c3cccc(C#N)c3)n2)C(=O)N1 343674789 NMFLJHHJJHAGSI-CYBMUJFWSA-N 310.317 -0.181 30 20 DBED CC[C@@](C)(NCCS(=O)(=O)c1ccc(C#N)cn1)C(N)=O 343881174 TVWWFKIAXCFZEG-CYBMUJFWSA-N 310.379 -0.029 30 20 DBED N#CCC1(O)CN(C(=O)Cn2nc3n(c2=O)CCCCC3)C1 369797373 UTUHHGBCCHZYIN-UHFFFAOYSA-N 305.338 -0.742 30 20 DBED C[C@H](CNc1c(C#N)c(=O)n(C)c(=O)n1C)c1nncn1C 471811728 SXELDDKNRRNBIT-MRVPVSSYSA-N 303.326 -0.700 30 20 DBED C#CCNC(=O)C1CCN(C[C@H](O)CO[C@@H](C)COC)CC1 491106693 YTVBNJSERLRVBK-ZFWWWQNUSA-N 312.410 -0.140 30 20 DBED C#CCN(C)C(=O)C(=O)N1CCN(C(=O)CN(CC)CC)CC1 491295270 GFLWLDMCYHTWPK-UHFFFAOYSA-N 322.409 -0.909 30 20 DBED C#CCNC(=O)CCN1CCN(C(=O)C(=O)OC(C)(C)C)CC1 491484141 HQKLEIQLTPHTMF-UHFFFAOYSA-N 323.393 -0.388 30 20 DBED Cc1cc(C(=O)NC(C)(C)C#N)nc2c1c(=O)n(C)c(=O)n2C 543757922 RYIRLXUTVPZKAW-UHFFFAOYSA-N 315.333 -0.027 30 20 DBED C=CC[C@H](CC)NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 563454942 QNULBHJFPQLYRZ-SDDRHHMPSA-N 308.382 -0.772 30 20 DBED CCS(=O)(=O)N[C@H](CCSC)C(=O)NCC#CCO 568293389 OAVQILVKZULOOF-SNVBAGLBSA-N 308.425 -0.841 30 20 DBED C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C#N)CO 597750026 SFPHUKOXUOPIRY-WPRPVWTQSA-N 306.278 -0.286 30 20 DBED CN(C[C@@H]1CCC[C@@H]1O)C(=O)C(=O)N1CCN(CCC#N)CC1 601476194 JJPLAWIEECXYJO-KBPBESRZSA-N 322.409 -0.336 30 20 DBED C[C@H]1C[C@@H](CN)CN1C(=O)C(=O)N1CCN(CCC#N)CC1 601580210 CDQCZHBJPAQVNK-STQMWFEESA-N 307.398 -0.760 30 20 DBED CC(C)[C@@H](NS(C)(=O)=O)C(=O)N1CCN(CCC#N)CC1 602204281 JUGZMEJFFKTMBU-GFCCVEGCSA-N 316.427 -0.382 30 20 DBED N#CCCN1CCN(C(=O)C(=O)N[C@@H]2CCCOCC2)CC1 602251973 ONPWWNHNESDJJZ-CYBMUJFWSA-N 308.382 -0.270 30 20 DBED C=C(C)CN(CC)C(=O)C(=O)N[C@H]1CS(=O)(=O)C[C@@H]1OC 612195371 CZOMMJAOLNPKHE-QWRGUYRKSA-N 318.395 -0.661 30 20 DBED C=CCn1cc(C(=O)N2CCC[C@H](NS(C)(=O)=O)C2)nn1 648733502 WTCUPDPIOKKPRT-JTQLQIEISA-N 313.383 -0.382 30 20 DBED C=CC[C@@]1(C(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)CCCN1 662829604 UUMKCOSFVUFWQE-YPMHNXCESA-N 301.412 -0.165 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)C2(N(C)C)CCC2)CC1 763024655 IWDSZDUOSRBMKO-UHFFFAOYSA-N 308.426 -0.083 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@H](C#C)[C@@H]1CCCO1)[C@H]1CCCO1 775429473 YDLQLCJUWZVNOI-LVEBTZEWSA-N 304.346 -0.420 30 20 DBED CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)OC(=O)Cn1ncn(C)c1=O 781265203 AUCMSYRZHMXXDC-QMTHXVAHSA-N 323.353 -0.432 30 20 DBED N#CC1(CNS(=O)(=O)N2CCC3(CC2)OCCO3)CC1 797464085 VCZCWBYUWVJBTB-UHFFFAOYSA-N 301.368 -0.037 30 20 DBED C#CCC[C@H](O)CNC(=O)[C@](C)(O)Cn1c(C)cccc1=O 799069982 HAGHVGXTNJFNAT-XJKSGUPXSA-N 306.362 -0.202 30 20 DBED C#CCC[C@H](O)CNC(=O)[C@@H]1CCCN1C(=O)CNC(C)=O 799079042 NIRSVOMLTYABHJ-STQMWFEESA-N 309.366 -0.996 30 20 DBED CC1=C(C(=O)NCC(=O)NCC#N)[C@@H](C)n2ncnc2N1C 804820875 QEUOZCMVZVPQKH-SECBINFHSA-N 303.326 -0.681 30 20 DBED CCOC(=O)C(=O)N1CCN(C(=O)c2cccc(C#N)n2)CC1 810415663 FDEJTJFCJRVNET-UHFFFAOYSA-N 316.317 -0.199 30 20 DBED N#Cc1ccc(CNC(=O)C2=NN(CCO)C(=O)CC2)nc1 813709224 CYGFPSBAEXNIIS-UHFFFAOYSA-N 301.306 -0.460 30 20 DBED NS(=O)(=O)c1ccc(C(=O)N[C@H]2CCCN(O)C2=O)cc1 820476287 KAMGLZAXQBVVJG-JTQLQIEISA-N 313.335 -0.556 30 20 DBED CCn1cc(C#N)c(=O)n(Cc2ccnc(-c3nn[nH]n3)c2)c1=O 825799111 DPGUYNBKGXZDLJ-UHFFFAOYSA-N 324.304 -0.475 30 20 DBED C#CC1CCN(S(=O)(=O)CCCS(=O)(=O)N(C)C)CC1 828110022 NACLBSGHIXAIBN-UHFFFAOYSA-N 322.452 -0.057 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@@H]1CCCC[C@H]1CN)[C@@H]1CCCO1 842164307 USJSWPSGYQISJR-FQUUOJAGSA-N 307.394 -0.083 30 20 DBED C#CCCN(CCOC)CN1C(=O)NC2(CCN(C)CC2)C1=O 853619784 KMRKPZKWWHPNHB-UHFFFAOYSA-N 322.409 -0.068 30 20 DBED C#CCNC(=O)C1CCN(C(=O)N[C@@H](C)C(=O)N(C)OC)CC1 858970206 YTXQEJQDUWFRIS-NSHDSACASA-N 324.381 -0.434 30 20 DBED C=CCNC(=O)COC(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1 859897772 KGUHHVITDTYNBK-SNVBAGLBSA-N 306.322 -0.382 30 20 DBED CNS(=O)(=O)CCCNC(=O)C#Cc1ccc2c(c1)OCO2 863432579 YMYWSTPTXQQOQF-UHFFFAOYSA-N 324.358 -0.178 30 20 DBED C#CC1(O)CN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1 890520949 REHQUQVSQRQJHA-UHFFFAOYSA-N 318.354 -0.320 30 20 DBED C#CCNS(=O)(=O)N1CCN(Cc2ccc(F)nc2)CC1 895920585 HQHDGYZODMIQBA-UHFFFAOYSA-N 312.370 -0.194 30 20 DBED C#CC1(O)CN(S(=O)(=O)[C@@H]2CCCC[C@H]2C(=O)OC)C1 908228607 QBFSAWYMODFZKU-GHMZBOCLSA-N 301.364 -0.272 30 20 DBED C#CCOc1ccc(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)cc1 913368188 ZOGRYYIOUKNKCD-CHWSQXEVSA-N 309.343 -0.414 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CCN1CCOCC1 937522312 XABHTBWZFAKOKY-RDBSUJKOSA-N 320.393 -0.320 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2CC[C@H](NC(=O)C(N)=O)CC2)cn1 943746412 WLZYOJJRJYLZAO-JOCQHMNTSA-N 314.345 -0.295 30 20 DBED NC(=O)C(=O)N1CCC2(CCN(C(=O)C#CC3CC3)C2)CC1 944409297 QDDJKYZSAKNTPK-UHFFFAOYSA-N 303.362 -0.274 30 20 DBED O=C(NC[C@H]1CN(C(=O)C#CC2CC2)CCO1)c1nc[nH]n1 944721580 ZZOJICJXVJZJJX-NSHDSACASA-N 303.322 -0.825 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)[C@H](C)C1 945182870 QOUPKCUPADPOLO-VXGBXAGGSA-N 320.397 -0.220 30 20 DBED C[C@@H]1CN(C(=O)C(N)=O)CC[C@H]1NC(=O)c1ccc(C#N)[nH]1 945484222 MTVRTZCCZDTFQM-PSASIEDQSA-N 303.322 -0.662 30 20 DBED CO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1NC(=O)Cc1nonc1C 946538273 UTRLAHPQYJGKQO-GGZOMVNGSA-N 321.337 -0.578 30 20 DBED CC#CCN1CCN(C(=O)[C@H]2C[C@H](OC)CN2C(C)=O)CC1 949497360 DYQRXAIQZNLRBE-LSDHHAIUSA-N 307.394 -0.210 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@]2(CCN(C(=O)CC(N)=O)C2)C1 952875419 OJLKCAUPOJXMHY-NHYWBVRUSA-N 306.366 -0.137 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@]2(CCN(C(=O)c3nnn(C)n3)C2)C1 953204238 KFFXMBSLWFKHLC-QMTHXVAHSA-N 317.353 -0.566 30 20 DBED CN(C(=O)[C@@H]1COCCO1)C1CN(C(=O)c2c[nH]c(C#N)c2)C1 953769660 NHCJNDZTXMQOHN-ZDUSSCGKSA-N 318.333 -0.415 30 20 DBED C[C@@H](C#N)C(=O)N1CC(N(C)C(=O)c2ccnc3[nH]nnc23)C1 954892080 LAAUGANBPTXCJY-QMMMGPOBSA-N 313.321 -0.205 30 20 DBED C=CCCN1C[C@@H](O)[C@H](CNC(=O)c2ccoc2CC(N)=O)C1 958349178 FWKYLUIUADLIHP-DGCLKSJQSA-N 321.377 -0.094 30 20 DBED CC#CCN1C[C@H](CNC(=O)c2cn(CCC)nn2)[C@@H](O)C1 958552212 RBGGANZEEVMMNI-JSGCOSHPSA-N 305.382 -0.266 30 20 DBED CO[C@H](C)C(=O)N1C[C@H](O)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 962328184 CSDRCTUKUVKCCW-FXAINCCUSA-N 306.322 -0.777 30 20 DBED C#CCN1CC[C@H](C)[C@@H](NC(=O)CN2CCCS2(=O)=O)C1 966525691 NVLMRDXUJKQQME-STQMWFEESA-N 313.423 -0.518 30 20 DBED C[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1O 969547611 ZMQFKVOGWHSPNP-DXLKZPDWSA-N 302.334 -0.156 30 20 DBED C=CCN[C@@H]1CCN(C(=O)c2cn(CC(=O)N(C)C)nn2)C1 970797070 XHTQWIWYRYCVRU-LLVKDONJSA-N 306.370 -0.644 30 20 DBED N#Cc1cc(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3COC(=O)N3)C2)c[nH]1 973190494 FVMIQUSFVJXPNJ-QXEWZRGKSA-N 317.305 -0.628 30 20 DBED N#Cc1cc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3COC(=O)N3)C2)c[nH]1 974049076 FVMIQUSFVJXPNJ-WCABBAIRSA-N 317.305 -0.628 30 20 DBED C#CCCN1C[C@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C(C)(C)C1 977606362 VEIWHZYAEOJITI-RYUDHWBXSA-N 313.423 -0.472 30 20 DBED C=CCn1cc(C(=O)N2CC3(CCCN(CC(N)=O)C3)C2)nn1 982058763 XURZZCCYMQHWPS-UHFFFAOYSA-N 318.381 -0.513 30 20 DBED C#Cc1ccc(C(=O)N2CC(NC(=O)c3cc[n+]([O-])cc3)C2)cn1 990145710 NKYOEKPMZVCGKQ-UHFFFAOYSA-N 322.324 -0.049 30 20 DBED C#CCN[C@@H]1CCC[C@@H]2CN(C(=O)CN3C(=O)CNC3=O)C[C@H]21 992897928 ACGKIPKIVQIZLC-JHJVBQTASA-N 318.377 -0.612 30 20 DBED C=CCN1CC[C@@H](NC2CCN(C(=O)c3nc[nH]n3)CC2)C1=O 997104048 QLOQPLWHUQYXDR-GFCCVEGCSA-N 318.381 -0.214 30 20 DBED C#CCN1CC=C(CNC(=O)[C@@H]2CCc3nnc(O)n3C2)CC1 1000857144 FIJAFHRFCRYQSA-CYBMUJFWSA-N 315.377 -0.072 30 20 DBED Cn1nncc1C(=O)N1CC(CNC(=O)c2cc(C#N)c[nH]2)C1 1001340087 DGFPYMDXSNWKIT-UHFFFAOYSA-N 313.321 -0.483 30 20 DBED CN(C[C@H]1CCCN1C(=O)C(N)=O)C(=O)c1ccc(C#N)[nH]1 1002910000 HQKHRBGPKJAELL-SNVBAGLBSA-N 303.322 -0.565 30 20 DBED CC#CCN1CCC(NC(=O)[C@@H]2CN(C(C)=O)CCO2)CC1 1004076604 WKPCXJHTHLORNS-HNNXBMFYSA-N 307.394 -0.162 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)C1CN(C(=O)C(N)=O)C1 1006164033 DHDKIFZNFPNMMH-DLOVCJGASA-N 309.366 -0.584 30 20 DBED C[C@@H](C#N)C(=O)N1CC([C@@H](C)NC(=O)c2cnc(O)n2C)C1 1006554202 AWGSRYXVWPDRSN-DTWKUNHWSA-N 305.338 -0.138 30 20 DBED C[C@@H](C#N)C(=O)N1CC([C@@H](C)NC(=O)c2ccc(=O)n(C)n2)C1 1006905321 DLTFUWWKFYAUSW-VHSXEESVSA-N 317.349 -0.483 30 20 DBED N#CCN1CCC[C@@H](NC(=O)c2ccc(-n3cnnn3)cn2)C1 1008050789 DHEHEQKPNGYSSP-LLVKDONJSA-N 312.337 -0.225 30 20 DBED C=CCCN1CCC[C@@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)C1 1008729245 VZOCUZQNXVKBJC-LLVKDONJSA-N 322.365 -0.436 30 20 DBED C=CCN1CCC[C@@H](NC(=O)[C@@H]2CCN(C)S2(=O)=O)C1 1008841126 PRTIDQBPKJGRFG-NEPJUHHUSA-N 301.412 -0.213 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2C(NC(=O)Cc3cnn(C)c3)[C@@H]2C1 1012851569 JOESHTBHVXKIIP-YUSALJHKSA-N 301.350 -0.305 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CN2CCCCS2(=O)=O)C1 1015289793 LHLXRGMBCUTPSC-CYBMUJFWSA-N 313.423 -0.374 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)CN2CCS(=O)(=O)CC2)C1 1016240731 UQYCENBPIIWHMD-CYBMUJFWSA-N 315.439 -0.517 30 20 DBED C[C@@H]1CCN(C(=O)C(N)=O)C[C@@H]1CNC(=O)c1c[nH]c(C#N)c1 1018617554 IVONBVHPFRKLHX-KOLCDFICSA-N 317.349 -0.414 30 20 DBED C#CCCN1[C@H]2CC[C@H]1CC(NC(=O)CN1C(=O)CNC1=O)C2 1021454691 SWZMZDDTQCXJLC-STQMWFEESA-N 318.377 -0.327 30 20 DBED O=C(N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O)c1cnccn1 1022950445 ZSSASNVLUVHIEE-CHWSQXEVSA-N 300.318 -0.809 30 20 DBED C=CCN1CC[C@H](N[C@H]2C[C@@H](NC(=O)[C@@H]3CCN(C)C3)C2)C1=O 1023086248 GBVFEGKPUNYNPV-KBXIAJHMSA-N 320.437 -0.038 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 1023327710 RVYAQQQCNMYEHU-XXILOJSOSA-N 301.306 -0.652 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC3(F)F)C[C@H]2O)c[nH]1 1023465929 JXLBUNJMJXCCBN-GMTAPVOTSA-N 324.287 -0.157 30 20 DBED C[C@H](C#N)C(=O)N1CCCC[C@@H]1CNCc1nc(=O)n(C)[nH]1 1024902373 PMFJDWQEMQYELX-GHMZBOCLSA-N 306.370 -0.261 30 20 DBED Cc1cc(O)ncc1C(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1O 1025566032 XDOPEIBLVHCIPD-MVWJERBFSA-N 318.333 -0.443 30 20 DBED CC#CCN1CC[C@H](N(C)C(=O)CN2C(=O)CN(C)C2=O)C1 1033642436 MSLUESHIULHZSR-LBPRGKRZSA-N 306.366 -0.564 30 20 DBED CN(C)C(=O)Cn1cc(C(=O)N(C)[C@H]2CCN(CC#N)C2)nn1 1033690620 ZRANIEJYZZSUAR-NSHDSACASA-N 319.369 -0.964 30 20 DBED CCN(C(=O)c1nc(O)nc(O)c1OC)[C@@H]1CCN(CC#N)C1 1034019731 YFQFQGDCDZXDPZ-SECBINFHSA-N 321.337 -0.044 30 20 DBED C#CCCN1CCO[C@@H](CNC(=O)[C@H]2CCc3nncn3C2)C1 1035610656 ZNQHFDJJLRNHAM-KBPBESRZSA-N 317.393 -0.319 30 20 DBED CC(=O)N1CCO[C@@H](C(=O)N2CCC3(CC2)CN(CC#N)C3)C1 1035844747 MXSCQOGGDCUOJW-CQSZACIVSA-N 320.393 -0.318 30 20 DBED C=C(Cl)CN1CC[C@@H]1CNC(=O)[C@@H]1CCS(=O)(=O)N1 1039022934 GOQYVTWLOKXHKS-ZJUUUORDSA-N 307.803 -0.379 30 20 DBED C#CCCCC(=O)NC[C@@]1(O)CCN(C(=O)Cn2ccnc2)C1 1039580439 URDVAKJHAQQRPH-INIZCTEOSA-N 318.377 -0.234 30 20 DBED C#CCCCC(=O)N1CC[C@](O)(CNC(=O)C(C)(C)C(N)=O)C1 1040121196 YPGLXOUYDBWIKH-INIZCTEOSA-N 323.393 -0.619 30 20 DBED C[C@]1(C(=O)NC[C@]2(O)CCN(C(=O)C#CC3CC3)C2)CCOC1 1040697901 AYLCCJWVAHNZIX-DLBZAZTESA-N 320.389 -0.094 30 20 DBED C=CC(C)(C)CC(=O)NCC1(O)CN(C(=O)Cn2nccn2)C1 1043206994 IOCXORYZBJJXJP-UHFFFAOYSA-N 321.381 -0.430 30 20 DBED C#CCC1(C(=O)NCC2(O)CN(C(=O)[C@@H](C)OC)C2)CCC1 1043347815 KRWBIPBTYLGCLK-GFCCVEGCSA-N 308.378 -0.096 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)C(F)F)C1 1043649063 KURZQTHNHGNFSS-JTQLQIEISA-N 315.320 -0.961 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)[C@@H]2CCC(=O)NC2)C1 1043799275 BNEAJRMJMRGJBA-LLVKDONJSA-N 323.393 -0.586 30 20 DBED C#CCN[C@@H]1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)[C@@H](C)C1 1044761915 CPHCQHKABCGIOC-NWDGAFQWSA-N 318.377 -0.700 30 20 DBED CC#CCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCC(=O)N2)C1 1044994597 WRHXRUBSLODHMC-LBPRGKRZSA-N 321.377 -0.852 30 20 DBED N#CCN1CC[C@H](N2CCN(C(=O)Cc3cncnc3)CC2)C1 1046028138 RFPLXCOEVFFQHG-HNNXBMFYSA-N 314.393 -0.239 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(N(C)C)nn2)C1 1047599534 XZULOEUASYRSTE-KBPBESRZSA-N 317.393 -0.317 30 20 DBED C=CCOCC(=O)N(C)[C@H]1CN(C(=O)Cc2cc[nH]n2)C[C@@H]1O 1048554726 DTLURKBUTBNKJN-STQMWFEESA-N 322.365 -0.815 30 20 DBED C=C1CCC(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)CC(N)=O)C2)CC1 1048605353 RZZBNCMHZKZANZ-STQMWFEESA-N 323.393 -0.362 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCc2cn[nH]c2)C1 1048912705 MRVYQQUHEZFEOC-DRZSPHRISA-N 319.365 -0.468 30 20 DBED C=CCO[C@@H](C)C(=O)N(C)[C@H]1CN(C(=O)CSC)C[C@@H]1O 1049011208 OUZQFVMQBVWWHH-SRVKXCTJSA-N 316.423 -0.029 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)c2cscn2)C[C@@H]1O 1049389494 YFOSRJAMZHSZBU-MIMYLULJSA-N 308.363 -0.054 30 20 DBED C=C(Cl)CN1CCOC[C@H]1CNC(=O)[C@@H]1COCCO1 1050822437 UVFPEBAICKTEDC-NEPJUHHUSA-N 304.774 -0.029 30 20 DBED C=CCOCC(=O)N[C@H](C)[C@@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 1051454724 VUOIBCUMYGBAHW-VXGBXAGGSA-N 323.393 -0.192 30 20 DBED C#CCN1CCN([C@@H]2CCN(C(=O)[C@]3(C)CCNC3=O)C2)CC1 1052082910 YAKZARHVEFXDSY-RHSMWYFYSA-N 318.421 -0.636 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)[C@@H]3COCCN3CC)CO2)C1 1053854063 REDDFUKZVWNFHB-KGLIPLIRSA-N 307.394 -0.700 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)[C@@H]3CCc4nn[nH]c4C3)CO2)C1 1053981359 ISCKHMIQSWSNRY-GHMZBOCLSA-N 316.365 -0.607 30 20 DBED C[C@@H]1CN(C(=O)Cc2ccc(C(N)=O)nc2)C[C@@H]1NCC#N 1054798257 RWEDKCPJXRJWNL-MFKMUULPSA-N 301.350 -0.317 30 20 DBED C[C@@H]1CN(C(=O)c2ccc(S(N)(=O)=O)o2)C[C@@H]1NCC#N 1054853257 FJNNVDDFJVVMGZ-BDAKNGLRSA-N 312.351 -0.499 30 20 DBED C=CCCC(=O)N[C@@]1(CO)CCCN(C(=O)c2cnn(C)n2)C1 1055824185 PWQCMSWSPYVPQE-HNNXBMFYSA-N 321.381 -0.135 30 20 DBED N#Cc1nccc(N2C[C@H]3C(NC(=O)Cc4cc[nH]n4)[C@@H]3C2)n1 1056164453 VOSCNFIOQNDQIA-GHMZBOCLSA-N 309.333 -0.135 30 20 DBED N#Cc1ccc(N[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)C2)nc1 1056764170 KSUNKIYNRUCZSC-MNOVXSKESA-N 300.322 -0.353 30 20 DBED COC(=O)[C@@H]1C[C@H]1C(=O)N(CCO)CCNC(=O)C#CC(C)C 1057177469 FWZIZWYTPJMYJO-CHWSQXEVSA-N 324.377 -0.608 30 20 DBED N#Cc1cc(C(=O)NCCN(CCO)C(=O)c2cocn2)c[nH]1 1057197955 IKFUZPNUIBRNHF-UHFFFAOYSA-N 317.305 -0.261 30 20 DBED C=CCC(C)(C)C(=O)N(CCO)CCNC(=O)CNC(C)=O 1057598912 KNQJGPODWQTYMH-UHFFFAOYSA-N 313.398 -0.338 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)CCc1cnn(C)c1 1057859281 XHSDDAOYWCOYFK-LBPRGKRZSA-N 321.381 -0.551 30 20 DBED N#Cc1ccc(N[C@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)C2)cn1 1059049435 OYBLTLXKWVDHJK-RYUDHWBXSA-N 300.322 -0.353 30 20 DBED C=CCOCC(=O)N1CC[C@@H](CCNC(=O)c2cnn[nH]2)C1 1059340081 JLAVMRAIUOIECQ-LLVKDONJSA-N 307.354 -0.024 30 20 DBED C=CCCC(=O)N1CCOC[C@@H]1CNC(=O)C1(C(=O)NC)CC1 1061700646 ITMLQACROKLNGZ-LBPRGKRZSA-N 323.393 -0.178 30 20 DBED CC(C)C#CC(=O)N1CCOC[C@H]1CNC(=O)Cc1nc[nH]n1 1061919524 ORMOVMRUEBXGMN-GFCCVEGCSA-N 319.365 -0.650 30 20 DBED C#CCNC(=O)CC(=O)NC1(CNC(=O)CCCOC)CCC1 1062623067 YVZJRPHHYHQPGB-UHFFFAOYSA-N 323.393 -0.292 30 20 DBED N#Cc1ccc(N2[C@H]3CCC[C@H]2CN(C(=O)CC(N)=O)C3)nn1 1064513174 OBXGQZUFBOZXEP-RYUDHWBXSA-N 314.349 -0.207 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)COCCC)CCO1 1064942161 XLUOMAVDXHMHSQ-CYBMUJFWSA-N 314.382 -0.041 30 20 DBED Cn1nncc1C(=O)N[C@@]1(C)CCN(c2ccnc(C#N)n2)C1 1065251533 YFFSTKZVOUZKOC-AWEZNQCLSA-N 312.337 -0.124 30 20 DBED C[C@H]1CN(C(=O)CC(N)=O)C[C@H]1CNc1cncc(C#N)n1 1065830039 UXHHFYJLQLJHLB-VHSXEESVSA-N 302.338 -0.270 30 20 DBED N#Cc1cncc(NCC[C@@H]2CCN(C(=O)CC(N)=O)C2)n1 1066289949 KQFBWRDOUGWYOA-SNVBAGLBSA-N 302.338 -0.126 30 20 DBED N#Cc1cnc(N2C[C@H]3CC[C@H]2CN3C(=O)Cc2nc[nH]n2)cn1 1068050680 OAPAPSSIVLBLDW-NWDGAFQWSA-N 324.348 -0.111 30 20 DBED Cn1nncc1C(=O)NC[C@H]1[C@@H]2CN(c3cncc(C#N)n3)C[C@H]12 1068172822 WWMPJJDHXXGSMH-CNDDSTCGSA-N 324.348 -0.411 30 20 DBED C=CCCC(=O)N[C@@H]1COC2(C1)CN(C(=O)CC(=O)N(C)C)C2 1068753011 KTTJFQSMJMBJTK-LBPRGKRZSA-N 323.393 -0.083 30 20 DBED C[C@@H]1[C@@H](Nc2ccc(C#N)nn2)CCN1C(=O)Cn1ncnn1 1068900390 KBPOWQHHUHUGRB-KOLCDFICSA-N 313.325 -0.564 30 20 DBED C[C@@H]1C[C@@H](N=c2cc[nH]cc2C#N)CN1C(=O)Cn1ncnn1 1069153146 UXWXFLDMHSQMBS-ZYHUDNBSSA-N 312.337 -0.537 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2nnn(C)c2C)C1 1069905773 OMUWVOIPSTYBHQ-NEPJUHHUSA-N 316.369 -0.444 30 20 DBED C#CCCN1C[C@H]2C[C@H]3CN(C(=O)c4cnn(C)n4)C[C@@]3(C1)O2 1070867322 IAJHDBNCBKKABR-WOSRLPQWSA-N 315.377 -0.246 30 20 DBED C[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1NC(=O)CC(N)=O 1071926519 ZHKTYOAZZWIVAO-GZMMTYOYSA-N 303.322 -0.662 30 20 DBED C#CCCN1CCO[C@@H]2CCN(C(=O)c3cnn(C)n3)C[C@@H]21 1074361055 VVPDUJYCFUTUPU-UONOGXRCSA-N 303.366 -0.246 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)c2ccc3nnc(O)n3c2)C1 1077829633 LJVLTNBGDWDALJ-VXGBXAGGSA-N 315.333 -0.767 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)c2cccnc2C(N)=O)C1 1078217434 FPTQXBQXIVNNTE-VXGBXAGGSA-N 304.350 -0.469 30 20 DBED C#CCN[C@H]1C[C@H]2CC[C@H]1N(C(=O)CN1C(=O)CCC1=O)C2 1079102080 FEIZOCXGYXCOLV-FRRDWIJNSA-N 303.362 -0.262 30 20 DBED C#CCNC(=O)CC(=O)N(CC)C1CN(C(=O)[C@@H](F)CC)C1 1079645510 GQJVEBFCPIZGGO-LBPRGKRZSA-N 311.357 -0.067 30 20 DBED C=CCOCC(=O)N1CC(N(CC)C(=O)c2cnn(C)c2N)C1 1079653233 YFWIEYPPCLLUTD-UHFFFAOYSA-N 321.381 -0.122 30 20 DBED C=C[C@@](C)(O)CC(=O)N(CC)C1CN(C(=O)[C@@H]2CCC(=O)N2)C1 1079686344 AOVMDCHGSPDKDO-BLLLJJGKSA-N 323.393 -0.349 30 20 DBED C=C[C@@](C)(O)CC(=O)N(CC)C1CN(C(=O)[C@@H]2CCNC2=O)C1 1079690121 PGSMWWUTUJVMQP-MLGOLLRUSA-N 323.393 -0.491 30 20 DBED C#CCCN1C[C@@H](NC(=O)[C@@H]2CCN(C)S2(=O)=O)[C@H](C)C1 1080596966 IDKCGBXWZGYENQ-UPJWGTAASA-N 313.423 -0.520 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)Cn2nccn2)C[C@@H]1O 1081439255 NUTQFHUDAKPUAA-STQMWFEESA-N 319.365 -0.983 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(C(=O)c2cccnn2)C[C@H]1O 1081471447 NPOWYUYRYINJBE-GXTWGEPZSA-N 314.345 -0.561 30 20 DBED C#CCCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)Cn2nccn2)C1 1081516937 KVMYKQHYNHLBQI-QWHCGFSZSA-N 319.365 -0.983 30 20 DBED C=CCCn1cc(C(=O)N2CCO[C@@H]3CN(CCO)C[C@@H]32)nn1 1083219922 VAOZKDQBHHLUON-UONOGXRCSA-N 321.381 -0.628 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CCN(C(C)=O)C1 1083260850 SLCBMARRRACRNI-OWCLPIDISA-N 319.405 -0.210 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CCN(CC(=O)NC)C[C@H]21 1084672829 PJIGUVBOTMVSOV-SYQHCUMBSA-N 307.394 -0.144 30 20 DBED N#CCN1C[C@H]2CC[C@H]1[C@H]1CN(C(=O)Cn3ncnn3)C[C@H]21 1087358939 ONAORGRHUMTFOC-NDBYEHHHSA-N 301.354 -0.635 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)c1cnn[nH]1)N=c1cc[nH]c(C#N)n1 1089509638 VIEHFFFWEKYGAS-DTWKUNHWSA-N 300.326 -0.103 30 20 DBED C[C@H]1[C@@H](N=c2cc[nH]c(C#N)n2)CCN1C(=O)CCNC(N)=O 1090217109 FSQPTZWIXMZFSG-UWVGGRQHSA-N 317.353 -0.770 30 20 DBED CC[C@@H](OC)C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1O 1090373662 KYTVAFIZFOYHCX-GMTAPVOTSA-N 305.338 -0.561 30 20 DBED CO[C@@H](C)CC(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1O 1090394304 APYMUKCNIZRBKS-HBNTYKKESA-N 305.338 -0.561 30 20 DBED C=CCCC(=O)N[C@@H]1CN(c2ncc(C(=O)OC)cn2)C[C@H]1O 1090395215 ZQUBMZZBQMNSBP-VXGBXAGGSA-N 320.349 -0.105 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CN(c2nc(C)cc(C#N)n2)C[C@H]1C 1090689844 VXRZNXFCYCUSIG-BXKDBHETSA-N 316.365 -0.266 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2nn(CC)nc2C)[C@H](O)C1 1090851244 AXOZIONLBSFZLD-CHWSQXEVSA-N 305.382 -0.205 30 20 DBED CS[C@H](C)C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@@H]1O 1091065587 FLOSKQUIHRVCPX-IEBDPFPHSA-N 307.379 -0.235 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CN(c2nc(C)ccc2C#N)C[C@@H]1O 1091096533 RSHUDKPOPKSLBD-NEPJUHHUSA-N 317.349 -0.937 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(c2ncc(F)cn2)C[C@@H]1O 1091150681 VFKIKZNSJXSKHY-NEPJUHHUSA-N 308.313 -0.679 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1091153123 RZBSJMOXCHXNIO-UHTWSYAYSA-N 315.333 -0.948 30 20 DBED CCC(=O)NCC(=O)NC1[C@H]2CN(c3cncc(C#N)n3)C[C@H]12 1093233729 CZQHLNQWOLREIG-QWRGUYRKSA-N 314.349 -0.575 30 20 DBED CCc1nc(C#N)cc(NCCNC(=O)[C@@H]2CCNC(=O)C2)n1 1093546412 GWKQMONMPWEFTH-SNVBAGLBSA-N 316.365 -0.035 30 20 DBED N#Cc1nc(=NCCNC(=O)CCCn2cncn2)cc[nH]1 1093853090 FVRHCEIBMVPMJT-UHFFFAOYSA-N 300.326 -0.630 30 20 DBED N#Cc1cncc(NCCNC(=O)CN2CCCCC2=O)n1 1094258547 QNRIVFMXGOVQBZ-UHFFFAOYSA-N 302.338 -0.111 30 20 DBED CC#CCN1CC(n2cc(CNC(=O)c3ccnnc3)nn2)C1 1094324375 UNGBVBCVWKLWAH-UHFFFAOYSA-N 311.349 -0.122 30 20 DBED CCS(=O)(=O)CC(=O)NCCCNc1ccc(C#N)nn1 1094456164 YQFZXLQKADXOLF-UHFFFAOYSA-N 311.367 -0.299 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)c3cnn(C)c3N)CC2=O)C1 1094727446 MKKSAMJJLXGJJN-SNVBAGLBSA-N 318.381 -0.797 30 20 DBED C#CCCN1CC(N2C[C@H](NC(=O)c3c[nH]nc3C)CC2=O)C1 1094768254 SBHJAOKIHNCMFE-GFCCVEGCSA-N 315.377 -0.244 30 20 DBED N#CCN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1nccnc1C(N)=O)C2 1095051050 SHMAFOLIYSPFEV-DCAQKATOSA-N 314.349 -0.318 30 20 DBED C=CCOCC(=O)N1CCCN(c2ccc3nnnn3n2)CC1 1095168598 XOPFIWLJFQQHBU-UHFFFAOYSA-N 317.353 -0.239 30 20 DBED Cc1cc(C#N)nc(N2CCC(CNC(=O)C(N)=O)CC2)n1 1095377406 YNCYTAFZEQMFEK-UHFFFAOYSA-N 302.338 -0.525 30 20 DBED C#CCCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1nnc(O)nc1O 1095694299 TZMFDASRXOEPSA-UTLUCORTSA-N 303.322 -0.359 30 20 DBED CCC(=O)N[C@H](C)C(=O)N[C@@H]1CCN(c2nccnc2C#N)C1 1096495803 SRHWLUURQJCEDH-GHMZBOCLSA-N 316.365 -0.042 30 20 DBED Cn1nncc1C(=O)NC[C@H](N=c1cc[nH]c(C#N)n1)C1CC1 1096660067 QJVLIVUAYNUXCJ-JTQLQIEISA-N 312.337 -0.481 30 20 DBED C[C@H](CNC(=O)[C@H]1COCCN1C)N=c1cc[nH]c(C#N)n1 1097764260 DJOGLBGVBBNKNF-GHMZBOCLSA-N 304.354 -0.983 30 20 DBED C[C@@H](CC(=O)NC[C@@H](C)N=c1cc[nH]c(C#N)n1)NC(N)=O 1098076887 ZWDRATFOLZTJRH-DTWKUNHWSA-N 305.342 -0.866 30 20 DBED CC#CCN(CCO)C1CCN(C(=O)[C@H]2CCN(C)C2=O)CC1 1098456927 QYCXOQKXHAYKDN-HNNXBMFYSA-N 321.421 -0.227 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)Cn1nccn1)C[C@H](C)O2 1098603586 RHMXXWKCFREVOB-AWEZNQCLSA-N 317.393 -0.007 30 20 DBED Cn1ccc(C(=O)N2CC[C@@H](n3cc(CNCC#N)nn3)C2)n1 1098780465 WIXQVXGUUJNDSM-GFCCVEGCSA-N 314.353 -0.288 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)c2cc(C)on2)[C@H](O)C1 1099651623 WFFIDICIUMFMNG-DGCLKSJQSA-N 322.365 -0.550 30 20 DBED C=C(Cl)CN1CC[C@@H](NC(=O)CNC(=O)CC)[C@H](O)C1 1099738446 NMRJUZFAGPSHFU-GHMZBOCLSA-N 303.790 -0.184 30 20 DBED CNC(=O)NCC(=O)NCC[C@H](C)N=c1cc[nH]cc1C#N 1099748528 YILFNCHUOKQVRN-JTQLQIEISA-N 304.354 -0.389 30 20 DBED CC(C)C#CC(=O)N[C@H]1CCN(CC(=O)N(C)C2CC2)C[C@@H]1O 1099820167 BAUNEJDXDFRZBC-GJZGRUSLSA-N 321.421 -0.182 30 20 DBED C=C(Cl)C(C)(C)C(=O)N[C@H]1CCN(CC(N)=O)C[C@@H]1O 1099850125 MSQWYDFPEPKRPG-UWVGGRQHSA-N 303.790 -0.198 30 20 DBED COC(=O)[C@H]1C[C@@H]1C(=O)NCCN(C)c1cncc(C#N)n1 1099961436 SXOQXPOMOKVPHH-QWRGUYRKSA-N 303.322 -0.290 30 20 DBED CCNC(=O)CCC(=O)NCCN(C)c1nccnc1C#N 1099963274 FOFDTWXVMICOCY-UHFFFAOYSA-N 304.354 -0.183 30 20 DBED Cc1cc(CC(=O)NCC2CC(NCC(=O)NCC#N)C2)n[nH]1 1100237862 DICDHVUUXPOOSG-UHFFFAOYSA-N 318.381 -0.615 30 20 DBED C#CCO[C@H](C)C(=O)NCC1CC(NCc2nc(=O)n(C)[nH]2)C1 1100322058 AUMCYJUCLKMNIZ-VOMCLLRMSA-N 321.381 -0.869 30 20 DBED CCN1C[C@H](C(=O)NCCN(C)c2cncc(C#N)n2)CC1=O 1100384889 MFJHFGLKRGUVSQ-LLVKDONJSA-N 316.365 -0.231 30 20 DBED COCC#CCNC1CC(CNC(=O)[C@H]2CCN(C)C(=O)C2)C1 1100449501 OTWIYSMNULYNBA-SLTAFYQDSA-N 321.421 -0.011 30 20 DBED C[C@@H]1CCO[C@@H]1C(=O)NCC1CC(NCC(=O)NCC#N)C1 1100686304 CHLKVVADGLCYLY-NPZBDFSRSA-N 308.382 -0.464 30 20 DBED C=C(C)CNC1CC(CNC(=O)CN2C(=O)C(=O)N(C)C2=O)C1 1100728138 ROGHASOIVPLUIV-UHFFFAOYSA-N 322.365 -0.533 30 20 DBED Cc1cc(C#N)nc(NCCN(C)C(=O)[C@H]2COCCO2)n1 1101508729 PCNDIBYBQGQNAY-GFCCVEGCSA-N 305.338 -0.058 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)[C@H]2CCCN2C)C1 1101815708 PONUAVGUMLVNHW-RBSFLKMASA-N 320.437 -0.486 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(Cc2nc(O)n[nH]2)C[C@H]1C 1101817187 GFFIKTPZUMWOJF-GHMZBOCLSA-N 309.370 -0.103 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)CN1CCCNC1=O 1102036309 BQKXTFSEDDBZAC-UHFFFAOYSA-N 317.353 -0.944 30 20 DBED COCC#CCN1C[C@@H](C)[C@H](CNC(=O)[C@H]2CCNC2=O)C1 1102223058 PSEQYOOLHWAKGQ-MCIONIFRSA-N 307.394 -0.544 30 20 DBED CCc1nc(C#N)cc(NC[C@H](C)CNC(=O)CC(N)=O)n1 1103881699 PWAISNRJODFQAJ-VIFPVBQESA-N 304.354 -0.050 30 20 DBED C[C@@H](CNC(=O)c1nnn(C)n1)CNc1ccc(C#N)nc1 1104181457 BXZSUWQKEYSERC-SECBINFHSA-N 300.326 -0.045 30 20 DBED CCOCC(=O)NC[C@@H]1CN(c2cnc(C#N)cn2)CCO1 1104280074 APJLMPRQJSNEHU-GFCCVEGCSA-N 305.338 -0.294 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H]1CN(c2cc(F)ncn2)CCO1 1104330352 NJSWYHZCBUVWNY-NEPJUHHUSA-N 322.340 -0.025 30 20 DBED C=CCOCCNCc1cn(C2CN(C(=O)[C@H](C)OC)C2)nn1 1105176455 LRGGYUBMRJFJNW-LBPRGKRZSA-N 323.397 -0.012 30 20 DBED C=CCCNCc1cn(C2CN(C(=O)[C@@H]3COC(=O)N3)C2)nn1 1105225493 VPFIGJTVTHKFHF-LBPRGKRZSA-N 320.353 -0.565 30 20 DBED CNC(=O)CC(=O)N1CCOC2(CCC(NCC#N)CC2)C1 1105467904 MDZWMWLLCBIWDQ-UHFFFAOYSA-N 308.382 -0.224 30 20 DBED N#Cc1cnc(NC[C@@H](O)CNC(=O)CC2OCCCO2)cn1 1105810136 ONXJYMFZJRSSFR-LLVKDONJSA-N 321.337 -0.610 30 20 DBED N#Cc1nccnc1NC[C@H](O)CNC(=O)C[C@@H]1COC(=O)C1 1105819630 HKNCGEPSUIJPQG-VHSXEESVSA-N 319.321 -0.810 30 20 DBED CCOCCOCC(=O)NC[C@H](O)CNc1ccc(C#N)cn1 1105871895 KROOTIAEHTUCID-CYBMUJFWSA-N 322.365 -0.105 30 20 DBED COCCO[C@@H](C)C(=O)NC[C@@H](O)CNc1ncccc1C#N 1105961839 AZKDULLKVADLSU-AAEUAGOBSA-N 322.365 -0.106 30 20 DBED C[C@@H]1OCCO[C@@H]1C(=O)NC[C@H](O)CNc1ncccc1C#N 1106160851 HECCCTANPHKMQV-UHTWSYAYSA-N 320.349 -0.354 30 20 DBED Cc1ccc(C#N)c(NC[C@H](O)CNC(=O)c2cnn[nH]2)n1 1106172340 ZFHQMLJZXASTHD-JTQLQIEISA-N 301.310 -0.417 30 20 DBED C[C@H](CCNc1ccc(C#N)nn1)NC(=O)[C@@H]1COCCN1C 1106278254 SUNPNYHQALSHOU-YPMHNXCESA-N 318.381 -0.014 30 20 DBED C[C@H](CCNc1cnc(C#N)cn1)NC(=O)Cn1cncn1 1106332996 GCTFMFKWXZZXTH-SNVBAGLBSA-N 300.326 -0.053 30 20 DBED CCN(CCNc1nccnc1C#N)C(=O)CCNC(=O)NC 1106749380 XJKVIPLBCUNGHH-UHFFFAOYSA-N 319.369 -0.072 30 20 DBED C#CCNC[C@@H]1CN(C(=O)[C@H](C)CS(C)(=O)=O)C[C@H]1C 1107048185 GGYRHQNERZRSRG-JHJVBQTASA-N 300.424 -0.016 30 20 DBED N#Cc1ccc(NC/C=C/CNC(=O)[C@@H]2CCNC(=O)C2)nn1 1107122038 KOCLOOKLHKHXCB-FMBMQGQPSA-N 314.349 -0.041 30 20 DBED C=C[C@H](C)[C@H](C)C(=O)NCc1cn(C2CN(CC(N)=O)C2)nn1 1107198231 YBQCJEWLIANLNW-QWRGUYRKSA-N 320.397 -0.306 30 20 DBED C=CCCCN1CCO[C@](C)(CNC(=O)[C@@H]2CNC(=O)N2)C1 1108169777 XCGMROBYCZCRSM-SWLSCSKDSA-N 310.398 -0.159 30 20 DBED C=CCCC(=O)N[C@@H]1CC(=O)N(C2CN([C@H](C)C(N)=O)C2)C1 1108517651 LCEAWNNTMFZKOA-GHMZBOCLSA-N 308.382 -0.772 30 20 DBED C[C@@H](CNc1cnc(C#N)cn1)NC(=O)C[C@H]1CCNC1=O 1108573860 LFABDPXLECRCHO-VHSXEESVSA-N 302.338 -0.209 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H](C)CN(C)c1nccn2nnnc12 1108923008 GUFMDZOUWVAUQB-IINYFYTJSA-N 319.369 -0.213 30 20 DBED N#Cc1ccc(NC2(CNC(=O)CN3CCOCC3)CC2)nn1 1110097057 RSAGGBVGABTROA-UHFFFAOYSA-N 316.365 -0.259 30 20 DBED CO[C@@H](C)C(=O)NC[C@@]1(O)CCN(c2nccnc2C#N)C1 1111027026 ZCTULCVCXWUNRH-HZMBPMFUSA-N 305.338 -0.559 30 20 DBED N#Cc1nccnc1N1CC[C@@](O)(CNC(=O)c2cnon2)C1 1111091444 QXTVXYYTRXKVOJ-CYBMUJFWSA-N 315.293 -0.898 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H]2CCC[C@]2(NC(=O)COC)C1 1111559310 XYKHKXWYUHENJY-XEZPLFJOSA-N 307.394 -0.259 30 20 DBED COCC(=O)NC[C@@H]1CN(c2ccc(C#N)c(C)n2)C[C@H]1O 1112691470 FTYYRDRKOOSLGZ-CHWSQXEVSA-N 304.350 -0.179 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)C[C@@H]2CCOC2)CC1 1112737079 RIMCOJQXFHHHEY-KGLIPLIRSA-N 307.394 -0.305 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCNC(=O)CC2)CC1 1113154023 QXEVBALBOPCHNC-ZDUSSCGKSA-N 322.409 -0.651 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)C[C@@H]2CCCOC2)CC1 1113637102 LBJAQXXVYFVBPQ-ZDUSSCGKSA-N 308.382 -0.413 30 20 DBED C[C@H](CNC(=O)c1nnn(C)n1)N(C)c1ccc(C#N)nc1 1113815123 UWFFRBPBTRCRJD-SECBINFHSA-N 300.326 -0.269 30 20 DBED COCCOCCN1C[C@H]2C(NC(=O)CSCC#N)[C@@H]2C1 1113897356 TZNLWULMWSNHBB-VXGBXAGGSA-N 313.423 -0.047 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@@H]3CCCOC3)[C@H]2C1 1114001629 GBJKMTFXOPYULV-CXTNEJHOSA-N 305.378 -0.791 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)CC3(OC)CCC3)[C@H]2C1 1114196797 MYORBHXNBROYFF-STQMWFEESA-N 319.405 -0.259 30 20 DBED C=C(C)CN1C[C@@H]2C(NC(=O)CNS(=O)(=O)N(C)C)[C@H]2C1 1114894388 FBLXPSQGQCMEAG-QWRGUYRKSA-N 316.427 -0.995 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@@H]3C[C@H]3C3CC3)[C@H]2C1 1114952660 ZAQLGTFACNJMKY-OJKRMQCYSA-N 301.390 -0.172 30 20 DBED C=CCOCCN1C[C@H]2[C@H](NC(=O)CCN3CCOCC3)[C@H]2C1 1114980431 RAFNPEBTCYOTHD-QLPKVWCKSA-N 323.437 -0.042 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)c3ccc(C#C)nc3)[C@@H]2C1 1115139782 JOZCJVMCAILMFI-HUUCEWRRSA-N 322.368 -0.528 30 20 DBED CC#CCN1C[C@H]2[C@H](NC(=O)CCS(=O)(=O)N(C)C)[C@H]2C1 1115282127 IZNHZTZOCQYPKU-IMRBUKKESA-N 313.423 -0.662 30 20 DBED Cc1cc(C#N)nc(N[C@@H](C)CN(C)C(=O)[C@H](C)NC(N)=O)n1 1115674489 IMMQKXHUNZSYJX-UWVGGRQHSA-N 319.369 -0.028 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CCC[C@@H](C2OCCO2)C1 1117545025 UIWSPAUIFUXZTI-VXGBXAGGSA-N 312.366 -0.085 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CC[C@H]([C@H](C)N)C2)nn1 1118146971 BDAPMYNGYLJORF-QWRGUYRKSA-N 306.370 -0.724 30 20 DBED C[C@H](CN(C)C(=O)[C@@H]1CCNC1=O)Nc1nccnc1C#N 1120406568 DBQSVXLQQOPABM-NXEZZACHSA-N 302.338 -0.257 30 20 DBED Cc1ccc(C#N)c(N[C@@H](CO)CNC(=O)[C@H]2CCC(=O)N2)n1 1121234708 GMMYAEMRDNREJN-VXGBXAGGSA-N 317.349 -0.571 30 20 DBED Cn1nccc1CC(=O)NC[C@H](CO)Nc1ccc(C#N)nn1 1121412617 QMQFEHGBZJYXST-LLVKDONJSA-N 315.337 -0.787 30 20 DBED C#Cc1ccc(C(=O)NC[C@H](CO)N=c2cc[nH]cc2C#N)nc1 1121846775 BLRJCNVNTOTBLC-CQSZACIVSA-N 321.340 -0.046 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H](CO)Nc1nccnc1C#N 1122034768 DNXGDSJPUKTGCU-QWRGUYRKSA-N 303.322 -0.724 30 20 DBED Cc1cc(=N[C@@H](CO)CNC(=O)c2csnn2)c(C#N)c[nH]1 1122366212 YNPKWHMOPJQGPP-SNVBAGLBSA-N 318.362 -0.262 30 20 DBED C#CCO[C@H](C)C(=O)NCCNC[C@@H]1CCS(=O)(=O)C1 1127045573 DZODTEHYHDOPLU-NEPJUHHUSA-N 302.396 -0.835 30 20 DBED C#CCO[C@H](C)C(=O)NCCNC[C@H](O)COCC(C)C 1127052398 WKKIXOUPMUHLHG-KGLIPLIRSA-N 300.399 -0.236 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)CCc1ccnn1C 1128486308 VXANXHGMWPXWJS-GFCCVEGCSA-N 307.398 -0.251 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)CCN(C)CC)C1 1129369834 IJEIPQACLIFMLK-KGLIPLIRSA-N 304.398 -0.405 30 20 DBED COCC#CCNCCNC(=O)[C@H]1CCCN1c1ncccn1 1129888913 JYYRRTOYQBNGJA-CQSZACIVSA-N 317.393 -0.199 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)[C@H]1C[C@H]2C=C[C@H]1O2 1130470562 VHYZVXDPOGBPCW-GRYCIOLGSA-N 322.365 -0.953 30 20 DBED C#Cc1cccc(NC(=O)CNCCNC(=O)c2cnn[nH]2)c1 1130745789 MTMVMFWAPITGCC-UHFFFAOYSA-N 312.333 -0.256 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](NCCCO)[C@H](c2cncn2C)C1 1130940835 KRQSANQMEPJDBW-JHJVBQTASA-N 305.382 -0.154 30 20 DBED C#CCNC(=O)CN1C[C@H](NC(=O)c2ccnnc2)CC[C@@H]1C 1132322248 QLTNFYVAOLRKGC-GXTWGEPZSA-N 315.377 -0.191 30 20 DBED Cc1nc[nH]c1C(=O)N[C@@H]1CC[C@H](C)N(CC(=O)NCC#N)C1 1132547257 ZCEHYRUJQQVUKD-CMPLNLGQSA-N 318.381 -0.059 30 20 DBED C[C@@H](Oc1cccnc1)C(=O)NCCNCC(=O)NCC#N 1133632582 WERBTKDBXPQVGI-LLVKDONJSA-N 305.338 -0.806 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)c1c[nH]nc1C 1135143114 IOLDKSLMKCHPDT-WDEREUQCSA-N 305.382 -0.046 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)C1CCN(C)CC1)NCC(=O)NCC#N 1135391215 RGWULUQEIPYHBY-QWHCGFSZSA-N 323.441 -0.159 30 20 DBED C[C@H](C[C@@H](C)NC(=O)CNC(=O)C1CCOCC1)NCC#N 1135701517 LPOMXZNPGCWGPD-VXGBXAGGSA-N 310.398 -0.074 30 20 DBED Cc1nonc1CC(=O)N[C@@H](C)C[C@H](C)NCC(=O)NCC#N 1135820367 AADVRIPVTFJWCR-UWVGGRQHSA-N 322.369 -0.567 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)Cn1nc2n(c1=O)CCCC2)NCC#N 1135881997 FXULSLOZTHREII-NWDGAFQWSA-N 320.397 -0.222 30 20 DBED COC(=O)C1(C#N)CCN(C(=O)c2nccnc2C(N)=O)CC1 1147754268 ZIYJFOFQSXBOJU-UHFFFAOYSA-N 317.305 -0.506 30 20 DBED C#Cc1ccc(C(=O)NCCNCC(=O)N2CCOCC2)cn1 1148383225 YZUQNURSOODRIZ-UHFFFAOYSA-N 316.361 -0.759 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CN(CCn2cncn2)CCCO1 1149416594 UOEBJMQMYNCULL-STQMWFEESA-N 306.370 -0.355 30 20 DBED C[C@@H](C(=O)NC[C@H]1CN(CC(=O)NCC#N)CCCO1)C1CC1 1149472615 GLQOMQHVJYBJTH-OCCSQVGLSA-N 322.409 -0.121 30 20 DBED COC(=O)CNC(=O)[C@@H]1CCCN1c1nc(C)cc(C#N)n1 1151907858 LJUGSHGKTPSSKI-NSHDSACASA-N 303.322 -0.085 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1nn(CC)nc1C 1153756747 RGBPEXGCCLTFRK-LLVKDONJSA-N 306.370 -0.936 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)c1cnn(C)c1C 1154652343 ZVDVQCLMBFUSMY-NSHDSACASA-N 305.382 -0.424 30 20 DBED COCC(=O)NCCC(=O)NCCC1=CCN(CC#N)CC1 1160285122 BHJHSEKUGPSSOI-UHFFFAOYSA-N 308.382 -0.199 30 20 DBED N#CCNC(=O)CNCCCNC(=O)c1snnc1C1CC1 1160384093 JPWQSVMWGLTVMB-UHFFFAOYSA-N 322.394 -0.235 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@@H]1CCC[C@H](C(N)=O)C1 1167504799 PKOUGXKYUGCLFM-QWHCGFSZSA-N 324.425 -0.324 30 20 DBED C#CCNC(=O)CNCCCNC(=O)CCc1cncn1C 1175003124 PHXQGYRPEVJJNU-UHFFFAOYSA-N 305.382 -0.802 30 20 DBED C#CCOCCC(=O)N1CC[C@@H]2OCCN(CCOC)[C@H]2C1 1177012843 MZLZLBAFYKUSHT-GJZGRUSLSA-N 310.394 -0.026 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)Cc2ccn(C)n2)C1 1182466015 HOVPTYDREAWDTR-TZMCWYRMSA-N 319.409 -0.156 30 20 DBED C#CCCNC[C@H]1CCN(C(=O)CN2CC(=O)NC2=O)C[C@H]1C 1185328577 XQGZAFGUZSPKDK-CHWSQXEVSA-N 320.393 -0.364 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2cc[n+]([O-])cc2)C1 1188726022 GJFVDGJHUNRKII-AWEZNQCLSA-N 318.377 -0.232 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)c2cccnc2)C1 1190668439 VXHBBFMZCPRZTM-MRVWCRGKSA-N 318.377 -0.453 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)c2cnc(C)cn2)C1 1190750890 ROBCRCVVUYGDIS-ZIAGYGMSSA-N 304.350 -0.790 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)n2cncn2)C1 1192270479 FVEPBLZFMUEABN-JHJVBQTASA-N 309.370 -0.797 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(CC(=O)NCC2CCC2)C[C@H]1O 1192503330 ASWDAMPEQYKRBZ-HUUCEWRRSA-N 321.421 -0.133 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CN(CCOC[C@@H]2CCCO2)C[C@H]1O 1192828167 ZBQLSZXNMLKODW-ARFHVFGLSA-N 322.405 -0.243 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2nonc2C)C1 1194472038 PXRPKAUNYVBGAP-LLVKDONJSA-N 305.338 -0.726 30 20 DBED CCNC(=O)NC(=O)[C@@H](C)N1CCCN(C(=O)[C@@H](C)C#N)CC1 1195322357 YLMWXEYTFQBSHG-NWDGAFQWSA-N 323.397 -0.085 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCCN(CC(=O)N2CCC2)CC1 1195792802 ZXAWFYPRYUUCLK-AWEZNQCLSA-N 307.394 -0.209 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCCN(C(=O)C(C)(C)C(N)=O)CC1 1196215852 WREIBQVSLIIJQN-GFCCVEGCSA-N 322.409 -0.830 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)COC[C@H](C)N2CCCC2)C1 1196252341 ZNAZSBKXUWEHPT-ARFHVFGLSA-N 323.437 -0.328 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)c2cncn2C)CC1 1196423055 DOUPFJGVHRUQQP-UHFFFAOYSA-N 305.382 -0.130 30 20 DBED N#CCNC[C@@H]1CN(C(=O)CCCn2cncn2)CCCO1 1201800140 DPEXEVBNUISTLH-CYBMUJFWSA-N 306.370 -0.211 30 20 DBED C=CCNC(=O)CN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)CNC(C)=O)C2 1203916853 KTEHTWCDOIMCHX-MGPQQGTHSA-N 322.409 -0.606 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)C2CCC(O)CC2)[C@H](C)C1 1206915599 DXVVUIACODCRQB-XSCHDIRWSA-N 321.421 -0.277 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1OC 1213267086 XWFKVKPFWLGKCY-VXGBXAGGSA-N 308.382 -0.346 30 20 DBED C=CCCCN1C[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)[C@H](OC)C1 1213493656 AYDJWZDCBCSFRE-QJPTWQEYSA-N 324.381 -0.634 30 20 DBED CNC(=O)NC(=O)[C@@H](C)N[C@@H]1CN(C(=O)C#CC(C)C)C[C@H]1C 1214578398 NFJRGQMLEDLVLG-JHJVBQTASA-N 322.409 -0.074 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C 1215535979 BJWYBMQGHICSSE-QLFBSQMISA-N 320.437 -0.343 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C[C@@H]2CCCO2)C1 1219237818 LTUVOEISCZBLSG-XQQFMLRXSA-N 311.382 -0.981 30 20 DBED CC(C)NC(=O)CN1C[C@H](O)[C@H](NC(=O)C#CC(C)(C)C)C1 1219596361 QTFRAQXMKLSTLT-OLZOCXBDSA-N 309.410 -0.278 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)Cn2ccc(C)n2)C1 1220373087 ZMKLKXJRLROGEB-KGLIPLIRSA-N 308.382 -0.445 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)c2ccc(O)nc2)C1 1220889702 KXWMQFCYCIMPQE-OLZOCXBDSA-N 305.334 -0.788 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)C[C@H]2CCN(C)C2)CC1 1230034662 LCYTYGAKAOSTFJ-CQSZACIVSA-N 320.437 -0.342 30 20 DBED C#CCNC(=O)CN(C)CCCNC(=O)[C@H](C)OCC1CC1 1235193295 FWDFSPDBZOCPKO-ZDUSSCGKSA-N 309.410 -0.011 30 20 DBED CN1CCN(C)[C@@H](CNC(=O)C(=O)N2CCC[C@@](C)(C#N)C2)C1 1258383942 QEEAENVUXXQTHN-BBRMVZONSA-N 321.425 -0.499 30 20 DBED N#CCNC(=O)CN[C@H]1CCN(C(=O)C2CC(F)(F)C2)C1 1267007831 QHHDMUGWTXWWBV-JTQLQIEISA-N 300.309 -0.138 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC2(CC1)CN(C[C@H](O)COC)C2 1268043871 RQKTWHINXUFBQL-GJZGRUSLSA-N 324.421 -0.044 30 20 DBED N#CCCCCS(=O)(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 1320753353 HYEKGWFJUOXUJN-SECBINFHSA-N 300.340 -0.754 30 20 DBED C=C[C@H](COC)NC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 1321267925 NBABGVOFBITZGA-LLVKDONJSA-N 311.363 -0.199 30 20 DBED N#CCCNC(=O)COC(=O)C[C@@H]1CCCS(=O)(=O)C1 1324278134 GAURMPWEJXYLIP-JTQLQIEISA-N 302.352 -0.226 30 20 DBED CN1CC[C@@H](NC(=O)C(=O)NCc2cccc(C#N)c2)C1=O 1325538858 IYHHGQSAMLWKQK-GFCCVEGCSA-N 300.318 -0.479 30 20 DBED C[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@H](C#N)C1)CN1CCOCC1 1325924299 JJQYKUGUJOOQJY-HZSPNIEDSA-N 322.409 -0.121 30 20 DBED CNC(=O)NC1CCN(C(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)CC1 1325951559 ATNNVFAJAVTMHW-CMPLNLGQSA-N 321.381 -0.285 30 20 DBED CN1C(=O)CC[C@H](NC(=O)C(=O)N2CCC[C@@](C)(C#N)C2)C1=O 1325953240 OBJWZXCGGYDDQE-BONVTDFDSA-N 320.349 -0.598 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)N2CC[C@H]3OCCC[C@H]3C2)C1 1327025866 VYIQHOJJFOLLEI-ZENOOKHLSA-N 321.377 -0.109 30 20 DBED C=CCN(C(=O)C(=O)N1CCn2nc(C)nc2C1)[C@H](C)COC 1327764087 GJRZZHVFFDSTLB-LLVKDONJSA-N 321.381 -0.022 30 20 DBED COCCN(C)CCCNC(=O)C(=O)N1CCC[C@@H](C#N)C1 1332628548 RJYGBDRBABUEDL-ZDUSSCGKSA-N 310.398 -0.167 30 20 DBED C#CC[C@H](CO)NC(=O)c1cc(OC)c(S(N)(=O)=O)s1 1334420896 KXQNMSQKTDNDCG-SSDOTTSWSA-N 318.376 -0.482 30 20 DBED CC#CCN(C)c1nnnn1C[C@H]1CCCN1S(C)(=O)=O 1334760640 VBZZEIMBRPQARL-LLVKDONJSA-N 312.399 -0.443 30 20 DBED C#Cc1ccc(NC(=O)C(=O)N2CCN3C(=O)NC[C@H]3C2)cc1 1337140958 DTVDCVFMYWAAHR-ZDUSSCGKSA-N 312.329 -0.158 30 20 DBED C#CCOCCNC(=O)C(=O)NCc1c(CC)nn(C)c1CC 1342445736 OWRZJZWIYQCCTP-UHFFFAOYSA-N 320.393 -0.073 30 20 DBED N#CCNC(=O)CNS(=O)(=O)c1ccc2c(c1)CCC(=O)N2 1345400862 OOWVAYLRZUGGFS-UHFFFAOYSA-N 322.346 -0.511 30 20 DBED COC(=O)[C@@H]1CN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)C[C@H]1C 1345979270 HWGPJXJTYRTTTC-HFAKWTLXSA-N 323.349 -0.869 30 20 DBED CN(CC(=O)N1CCCC1)C(=O)C(=O)N[C@@H]1CC[C@H](C#N)C1 1347642605 JCWRDHVJMDRPKY-NWDGAFQWSA-N 306.366 -0.124 30 20 DBED C=CCS(=O)(=O)CCN1C(=O)N[C@H]([C@@H]2CCCOC2)C1=O 1350943767 IIUZEOUHDXZWAA-GHMZBOCLSA-N 316.379 -0.066 30 20 DBED C=CCn1c(CCOC)nnc1N1CCN(CCOC)C(=O)C1 1351617323 ZCWYMGBABAAYKI-UHFFFAOYSA-N 323.397 -0.052 30 20 DBED C[C@@H]1C[C@H](CNC(=O)C(=O)N2CCN(CCC#N)CC2)CCO1 1352610700 YJOHLUWORSIVTA-ZIAGYGMSSA-N 322.409 -0.024 30 20 DBED N#Cc1cn(CCC(=O)N2CCC(CO)CC2)c(=O)nc1O 1362265896 JSGBBZQLXJZWCZ-UHFFFAOYSA-N 306.322 -0.558 30 20 DBED CC1(CNC(=O)CCn2cc(C#N)c(O)nc2=O)OCCO1 1362653826 YASYVPHBGZLTFN-UHFFFAOYSA-N 308.294 -0.910 30 20 DBED CCn1[nH]c(C)nc1=NC(=O)CCn1cc(C#N)c(O)nc1=O 1362988366 KGNKBFQOLTYLAE-UHFFFAOYSA-N 317.309 -0.809 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)CCCC(=O)N(C)C)[C@H]2C1 1372719882 FMNMEOBRKNUUEH-FJJYHAOUSA-N 320.393 -0.022 30 20 DBED CC[C@H](CNC(=O)CNS(=O)(=O)CC)NC(=O)[C@@H](C)C#N 1375113302 FKLBJOPZIPPQAZ-VHSXEESVSA-N 318.399 -0.904 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNCc1cc(O)nc(C2CC2)n1 1379189883 OWEBVDKAJUKMIX-BXKDBHETSA-N 319.365 -0.214 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]1CN(C)C(=O)CCS(C)(=O)=O 1384896813 SJLCVNNMGYFIMJ-GHMZBOCLSA-N 315.395 -0.360 30 20 DBED C[C@H](CNC(=O)CN1CCCC1=O)NC(=O)c1c[nH]c(C#N)c1 1386163321 XSXQTLOVUWKMKB-SNVBAGLBSA-N 317.349 -0.257 30 20 DBED Cc1nn(C)c(=O)c(C(=O)NC[C@H](C)NC(=O)[C@@H](C)C#N)c1C 1386417353 VHRVUSOPLILBPO-IUCAKERBSA-N 319.365 -0.209 30 20 DBED C[C@@H](CC(N)=O)C(=O)NC1CN(C(=O)c2ccc(C#N)[nH]2)C1 1389346467 YTSNSNRFYVOMDV-QMMMGPOBSA-N 303.322 -0.662 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)c2cnsn2)C1 1401052603 OATWIUJYQHQAQJ-PELKAZGASA-N 309.351 -0.609 30 20 DBED C[C@@H](NCC1(O)CCN(C(=O)c2cc(C#N)c[nH]2)CC1)C(N)=O 1402804269 DJMVAKHBSWGJRL-SNVBAGLBSA-N 319.365 -0.683 30 20 DBED C[C@H](C#N)C(=O)N[C@H](CNC(=O)CCn1cncn1)C1CC1 1407589015 LDQSWBQABICQCH-ZYHUDNBSSA-N 304.354 -0.161 30 20 DBED CCn1ccc(C(=O)N(C)C[C@H](O)CNC(=O)[C@H](C)C#N)n1 1413261724 SEAMUZPKWHITFA-GHMZBOCLSA-N 307.354 -0.388 30 20 DBED N#C[C@H]1CCCN(C(=O)c2cn(C[C@H]3CNC(=O)O3)nn2)C1 1419382142 XXLGJHYPDVOTEN-NXEZZACHSA-N 304.310 -0.238 30 20 DBED CC1(C)CNC(=O)[C@H]1NCCS(=O)(=O)c1ccc(C#N)cn1 1422190653 NWGBZWFRIMTONU-GFCCVEGCSA-N 322.390 -0.159 30 20 DBED Cc1nn(C)c(C)c1NC(=O)CN1CC(NC(=O)[C@H](C)C#N)C1 1443461003 LTGFHGPDLLVKOR-SECBINFHSA-N 318.381 -0.064 30 20 DBED CCCn1cc(C(=O)NC[C@@H](O)CNC(=O)[C@H](C)C#N)c(C)n1 1452378731 DJPUDVHOYFLKRX-PWSUYJOCSA-N 321.381 -0.032 30 20 DBED CCn1nncc1C(=O)NCCN(C)C(=O)c1c[nH]c(C#N)c1 1455272772 REVTYQGKXASDBL-UHFFFAOYSA-N 315.337 0.000 30 20 DBED CC[C@H](CNC(=O)CNC(=O)N1CCCC1)NC(=O)[C@@H](C)C#N 1456786089 HVIMKZLYZFUJNJ-NWDGAFQWSA-N 323.397 -0.038 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@](C)(NC(=O)CCS(C)(=O)=O)C1 1459408378 QVDOJTVVORVZCP-MFKMUULPSA-N 315.395 -0.312 30 20 DBED COC(=O)CC[C@@H](NS(=O)(=O)CC(C)(C)C#N)C(=O)OC 1463649529 VURVWRNZHODNRN-SECBINFHSA-N 320.367 -0.050 30 20 DBED CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)Cn1cc(C#N)c(O)nc1=O 1465323368 TUTPKTAAHOYYGI-WCQGTBRESA-N 318.333 -0.250 30 20 DBED CC(C)n1cc(CNC(=O)Cn2cc(C#N)c(O)nc2=O)nn1 1468426315 UFMNMXIMVWNUIC-UHFFFAOYSA-N 317.309 -0.691 30 20 DBED C[C@H](C#N)C(=O)NCCN1CCN(Cc2nccn2C)CC1 1490486322 VJZQIVSUXVADAX-CYBMUJFWSA-N 304.398 -0.186 30 20 DBED C#CCCNC[C@H]1CCCN1C(=O)c1cn(C)c(=O)n(C)c1=O 1495581079 DCRICJNNMDNABE-GFCCVEGCSA-N 318.377 -0.699 30 20 DBED C[C@@H](C#N)C(=O)NCC1(C)CCN(C(=O)CCNC(N)=O)CC1 1506675084 KEQNSPLGOJMRQF-NSHDSACASA-N 323.397 -0.051 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 1573583750 OHGIUXKILUBRPN-QMMMGPOBSA-N 316.325 -0.457 30 20 DBED C#CC[C@]1(C(=O)NCc2nnc3c(=O)n(C)ccn23)CCCN1 1574515981 CEGVAQIZGHUXRB-OAHLLOKOSA-N 314.349 -0.810 30 20 DBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CCNC1 1576253729 YQRMIBYOPVCJNQ-JQWIXIFHSA-N 322.390 -0.297 30 20 DBED C=CCOCC(=O)NCC1(N=c2cc[nH]c(C(=O)O)n2)CC1 1588851166 XDQJXCMNEHBCAO-UHFFFAOYSA-N 306.322 -0.140 30 20 DBED CCO[C@@H](CNc1cnc(C#N)c(-c2nn[nH]n2)n1)CN(C)C 1590785525 KNQNLZFBNFFLLR-VIFPVBQESA-N 317.357 -0.093 30 20 DBED CN(CCS(N)(=O)=O)c1c(C#N)cccc1-c1nn[nH]n1 1591117165 JUQWRDJEGHKMCB-UHFFFAOYSA-N 307.339 -0.537 30 20 DBED N#Cc1nc(N)n(C[C@H]2CC3(CC3)C(=O)O2)c1-c1nn[nH]n1 1592706077 NBQIJCJDQFIXOL-ZCFIWIBFSA-N 300.282 -0.387 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CCO[C@@H](CC(=O)O)C1 1596300396 YYGCZMKIOGFPCW-JTQLQIEISA-N 305.356 -0.358 30 20 DBED Cc1cc(C#N)cnc1C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)O 1600076230 PAKTVFYZVAIRQE-SNVBAGLBSA-N 323.330 -0.415 30 20 DBED O=C(O)c1cn([C@H]2CCCN(C(=O)NCC#CCO)C2)nn1 1602492407 BURZOQKMWPUIES-JTQLQIEISA-N 307.310 -0.682 30 20 DBED C[C@@H](CN(C1CC1)S(=O)(=O)N1CCO[C@H](C#N)C1)C(=O)O 1604159068 KKHGMVGIKJULTA-GXSJLCMTSA-N 317.367 -0.359 30 20 DBED N#Cc1cc(CNC(=O)[C@@H]2CCCN(CC(=O)O)C2=O)ccn1 1605591844 CHYRDUDVXSCLTA-LBPRGKRZSA-N 316.317 -0.107 30 20 DBED C=CCNC(=O)CN(C)CCCNC(=O)c1cn(C)c(=O)n1C 1752125319 PEQIPNCLBKENMY-UHFFFAOYSA-N 323.397 -0.922 30 20 DBED C#CCNC(=O)CN(C)CCNC(=O)c1cccc2nc[nH]c12 1753068608 LPIRXVGECDSROZ-UHFFFAOYSA-N 313.361 -0.026 30 20 DBED C#CCNC(=O)[C@H](C)N1CC(CNC(=O)[C@]2(F)CCOC2)C1 1753410188 AXIYZCYBYQCNGC-NHYWBVRUSA-N 311.357 -0.699 30 20 DBED COc1ncc(C(=O)NC[C@@H](C)CNCC(=O)NCC#N)cn1 1753638760 QXAGBLQGWIQHCO-JTQLQIEISA-N 320.353 -0.920 30 20 DBED C#CCNC(=O)CNC[C@H](C)N(C)C(=O)[C@@H]1CCO[C@H]1C=C 1753713950 RFFSYZNLHWOITP-MJBXVCDLSA-N 307.394 -0.237 30 20 DBED CC(=O)NC1(C(=O)N[C@H](C)CNCC(=O)NCC#N)CCCC1 1754244821 DHLUHQXBMXNAMO-LLVKDONJSA-N 323.397 -0.831 30 20 DBED CC#CCNC[C@H](NC(=O)CN(C)S(=O)(=O)CC)C1CC1 1754455970 VPKDFUISASXRKH-ZDUSSCGKSA-N 315.439 -0.224 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CNC(=O)C[C@@](C)(O)C1CC1 1754480430 HBSMOSXOSQLQLF-XJKSGUPXSA-N 307.394 -0.523 30 20 DBED Cc1nn(C)c(C)c1C(=O)NC[C@H]1CCN1CC(=O)NCC#N 1754503285 UIGXYIXRYDUUSC-GFCCVEGCSA-N 318.381 -0.519 30 20 DBED C[C@H]1C[C@H](NCC(=O)NCC#N)CCN1C(=O)c1cn[nH]c1 1754591079 PPAXROYEMYUJPE-CMPLNLGQSA-N 304.354 -0.368 30 20 DBED N#CCNC(=O)CN1CC(O)(CNC(=O)c2cccs2)C1 1754764063 OBHIRVCUECGSOW-UHFFFAOYSA-N 308.363 -0.836 30 20 DBED C=C(C)CNC[C@@H]1CN(C(=O)CN2CCOCC2=O)CCO1 1755003266 JMDMIRLDSKJQPV-CYBMUJFWSA-N 311.382 -0.762 30 20 DBED C#CCNC[C@@H]1CN(C(=O)Cc2nc3ncccn3n2)CCO1 1755016204 XISKCIVUXUDCCC-GFCCVEGCSA-N 314.349 -0.883 30 20 DBED C=CCNC(=O)CN[C@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1C 1755118740 RUXARUKUQVMZLI-PWSUYJOCSA-N 306.370 -0.833 30 20 DBED CN(CCOCCNC(=O)c1ccc(C#N)[nH]1)[C@@H]1CCNC1=O 1755540731 KZTUWVZABWCWDZ-CYBMUJFWSA-N 319.365 -0.547 30 20 DBED C#CCNC(=O)CN[C@H](C)CN(C)C(=O)c1cc(CC)nn1C 1755610075 BBRWXWCPVWMNTL-GFCCVEGCSA-N 319.409 -0.218 30 20 DBED C=C(C)CN[C@@H](CO)CNC(=O)[C@@H]1CCCCS1(=O)=O 1755631163 WQOIKEMOCFOUBQ-NEPJUHHUSA-N 304.412 -0.404 30 20 DBED C#CCCN[C@H](CO)CNC(=O)[C@@H]1CCc2cnc(C)n2C1 1755636102 AKXFBAQTMNSUCU-KGLIPLIRSA-N 304.394 -0.156 30 20 DBED CN(C)C(=O)C1CCC(C(=O)NC[C@@H](CO)NCC#N)CC1 1755643481 MHEABEBSFBGQRE-BPCQOVAHSA-N 310.398 -0.529 30 20 DBED C#CCNC(=O)CN[C@H](CO)CNC(=O)c1ccccc1OC 1755645584 UJVHGDRNEDYEQJ-LBPRGKRZSA-N 319.361 -0.875 30 20 DBED C#CCCN[C@@H]1C[C@@H](C)N(C(=O)CN2CCC(=O)NC2=O)C1 1755691022 RSWAPTSPHAWQJA-VXGBXAGGSA-N 306.366 -0.469 30 20 DBED C[C@@H](NCCOCCN(C)C(=O)c1c[nH]c(C#N)c1)C(N)=O 1755872266 FDHJYMQPKBRUBY-SNVBAGLBSA-N 307.354 -0.562 30 20 DBED C=CCOCC(=O)N1CC([C@@H](C)NC(=O)CCn2cnnn2)C1 1756167996 OWBGFQFXGGVELB-LLVKDONJSA-N 322.369 -0.771 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C[C@H](C)NC(=O)CNC(=O)OC 1756453562 QDNDRAQHUIHKIR-QWRGUYRKSA-N 313.354 -0.656 30 20 DBED N#CCSCC(=O)N[C@@H]1CCN(C(=O)c2cc[nH]c2)C[C@H]1O 1757563112 SSNOIFFMQPPNIV-VXGBXAGGSA-N 322.390 -0.037 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CCCCN1C)CCO2 1783045888 DZQFVASEUXMUFU-PBHICJAKSA-N 319.405 -0.066 30 20 DBED CNC(=O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC#N)C[C@@H]21 1784408227 OTPGZPPGMLJQGH-SRVKXCTJSA-N 322.365 -0.984 30 20 DBED N#CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1CCOC1=O)C2 1795459803 VKZMHVRYQAUIJA-ZSBIGDGJSA-N 320.349 -0.010 30 20 DBED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)O)CCO2 1840029014 QDJCGYQWPLQODD-DOMZBBRYSA-N 312.366 -0.600 30 20 DBED C[C@@H](S)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cnnn1C 1848281740 GTIPEBZCBZWBHA-UTLUCORTSA-N 309.395 -0.051 30 20 DBED N#Cc1cc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)O)ccc1F 71238572 XOGOMSXKMUWTNU-KCJUWKMLSA-N 314.294 -0.094 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)c2ccn(C)c(=O)c2)CC1 74092360 URBFZPRMQCYFJX-UHFFFAOYSA-N 318.377 -0.555 30 20 DBED C=CCNC(=O)NC(=O)CN1CCN(Cc2ccon2)CC1 173934557 CTUWIXXTNVIMCD-UHFFFAOYSA-N 307.354 -0.196 30 20 DBED CCS(=O)(=O)CCNS(=O)(=O)c1ccc(C#N)nc1 219453042 LQGUARYIAMPZKW-UHFFFAOYSA-N 303.365 -0.334 30 20 DBED NC(=O)[C@H]1CN(C(=O)C#Cc2ccc3c(c2)OCO3)CCO1 268679553 ZSFHNDRCRYIANH-CYBMUJFWSA-N 302.286 -0.521 30 20 DBED Cn1c(=O)c2cc(C(=O)N3CC(C)(C#N)C3)cnc2n(C)c1=O 280577390 WQKCPFSNANWKHJ-UHFFFAOYSA-N 313.317 -0.382 30 20 DBED CC1(C#N)CN(C(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)C1 280609474 ZICBFPDPTJXLJT-FPQZTECRSA-N 317.345 -0.089 30 20 DBED CS(=O)(=O)N1CC[C@H](C/N=C(/O)NC[C@@H](O)C2CC2)C1 328669406 FDEZPFWXRPBFJX-MWLCHTKSSA-N 305.400 -0.458 30 20 DBED C[C@H](CN1CCN(C)CC1)/N=C(/O)N(C)[C@@H]1COC[C@H]1O 329431905 KLTMMAQTFFDWJA-JHJVBQTASA-N 300.403 -0.772 30 20 DBED C[C@H]1CN(/C(O)=N/C[C@@H]2COCCO2)C[C@@H](C)S1(=O)=O 329542116 DUIADJBWYASHFV-OUAUKWLOSA-N 306.384 -0.177 30 20 DBED CO[C@H]1CN(/C(O)=N/[C@@H]2CS(=O)(=O)C[C@@H]2C)C[C@H]1OC 329611205 DHJVYUKCHNHEJY-ZRUFSTJUSA-N 306.384 -0.321 30 20 DBED CC(C)N1C[C@H](/N=C(/O)N2CCN3C(O)=NC[C@@H]3C2)CC1=O 329783523 VEMMIPWKJZUWMK-GHMZBOCLSA-N 309.370 -0.177 30 20 DBED Cc1ncc(S(=O)(=O)N2CCN3CCOC[C@H]3C2)cc1C#N 330198982 UVUIWLYQEVGQFO-CYBMUJFWSA-N 322.390 -0.033 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N[C@H]1CC(=O)N(C2CC2)C1 331806463 WPDFIKKYOGZDHQ-UWVGGRQHSA-N 300.384 -0.324 30 20 DBED CC[C@@H]1CN(S(=O)(=O)N(CCC#N)CCOC)C[C@H]1O 336941738 JVQPQCJKTRTZDC-VXGBXAGGSA-N 305.400 -0.204 30 20 DBED N#CCCCNC(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 342673188 ZUTDKVXAFOHTSA-WFFHOREQSA-N 305.334 -0.041 30 20 DBED N#Cc1ccc(S(=O)(=O)NCCN2C(=O)CCCC2=O)o1 344549790 PCGGNMJVEQDCOO-UHFFFAOYSA-N 311.319 -0.031 30 20 DBED C=CCNC(=O)CNS(=O)(=O)c1csnc1C(=O)OC 346566283 OZICJTIJCFCAFI-UHFFFAOYSA-N 319.364 -0.490 30 20 DBED COC(=O)CN(CC#N)C(=O)c1csc(S(N)(=O)=O)c1 348797092 JBRGLABDZUKRFW-UHFFFAOYSA-N 317.348 -0.466 30 20 DBED C=CCNC(=O)Cc1noc(Cn2nc3ccccn3c2=O)n1 350708026 YQTXSQAACOQORW-UHFFFAOYSA-N 314.305 -0.228 30 20 DBED C=CCC[C@@H](O)CN(CC)CC(=O)N[C@H]1CCS(=O)(=O)C1 351642757 GOYHYYOQEDNCSJ-QWHCGFSZSA-N 318.439 -0.061 30 20 DBED C[C@H]1CN(C(=O)CNc2ccc(C#N)cn2)C[C@H](C)S1(=O)=O 427886642 PYIVTZLSSGUZKK-QWRGUYRKSA-N 322.390 0.399 30 20 DBED C=C(C)CN(C)C(=O)C(=O)N1CCN(S(=O)(=O)CC)CC1 459924232 SGRPUHFBMGUNQZ-UHFFFAOYSA-N 317.411 -0.485 30 20 DBED C#C[C@H](CCC)NS(=O)(=O)CCCS(=O)(=O)N(C)C 491621383 GGNBDNMZWXBXGY-LLVKDONJSA-N 310.441 -0.011 30 20 DBED C#CCNC(=O)CN1CCN(CCC(=O)N2CCC[C@@H]2C)CC1 491695513 CEZLPPRSKXHKJW-HNNXBMFYSA-N 320.437 -0.246 30 20 DBED COC[C@H]1CN(C(=O)C(=O)Nc2cccc(C#N)n2)CCO1 516060781 GDNFNCWADGBEFC-LLVKDONJSA-N 304.306 -0.234 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N1CCN(C(=O)N(C)C)CC1 548820103 KRJUCEAAMXDBPF-LLVKDONJSA-N 317.415 -0.378 30 20 DBED C[C@@](C#N)(NC(=O)COC(=O)C1CC(=O)NC(=O)C1)C1CC1 726818164 MPOHPMSFPBEXOX-AWEZNQCLSA-N 307.306 -0.609 30 20 DBED N#CCN(CC(=O)O)C(=O)Cn1c(O)nc2ccccc2c1=O 739078691 KRDNUMDHVOUSBU-UHFFFAOYSA-N 316.273 -0.461 30 20 DBED C#CCNC(=O)CN1C(=O)N[C@](CC)(c2cnn(C)c2)C1=O 755834503 CHAYVFRDFFGDOW-CQSZACIVSA-N 303.322 -0.673 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[C@H](C(=O)N(C)C)O1 775215494 VLZTVJZNPPFZAK-HZSPNIEDSA-N 307.394 -0.164 30 20 DBED CS(=O)(=O)N1CCN(C(=O)NCc2ccc(C#N)cn2)CC1 780643277 QKCSISSHFLAXAI-UHFFFAOYSA-N 323.378 -0.260 30 20 DBED N#CCCNC(=O)CN1CCC[C@@H](N2CCCS2(=O)=O)C1 789370686 PAZQDYVFCVZWDR-GFCCVEGCSA-N 314.411 -0.484 30 20 DBED C[C@H]1CN(C(=O)Cn2cnc(-c3nn[nH]n3)c2C#N)C[C@H](C)O1 824968526 QGBSAXAFRPQZNR-IUCAKERBSA-N 316.325 -0.429 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)c2cccn2C)CC1 831555910 CUPIFNODCGLWLZ-UHFFFAOYSA-N 310.379 -0.750 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CCO[C@@H]2C)CC1 831569016 WAKVGVBJRMCXPN-VXGBXAGGSA-N 315.395 -0.977 30 20 DBED C#C[C@H](NC(=O)N[C@H]1CCN(S(C)(=O)=O)C1)[C@@H]1CCCO1 845125705 ZDHFKZCYTWMWRL-SRVKXCTJSA-N 315.395 -0.500 30 20 DBED C#CCC[C@@H](O)CNC(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 845423548 UPPNRENLFMOCIE-GHMZBOCLSA-N 303.384 -0.906 30 20 DBED C#CCOCCC(=O)N1CCC(NS(=O)(=O)NC)CC1 846057041 TZPWDVGPQPIPNO-UHFFFAOYSA-N 303.384 -0.929 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N1C[C@H](C)C[C@@H](CO)C1 850712732 QEOLMOOBEZPCFZ-ZIAGYGMSSA-N 310.394 -0.038 30 20 DBED C#CCOCCOC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 853913283 KGPJBEHUHIGEBG-CQSZACIVSA-N 324.377 -0.640 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2cn(C3CC3)nn2)CC1 859180357 VIXRHZBXIKHMEH-UHFFFAOYSA-N 316.365 -0.880 30 20 DBED C#CCCS(=O)(=O)NC(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1 860722546 YYIDWEHPLIVGHF-SNVBAGLBSA-N 324.362 -0.758 30 20 DBED C#CCN1CCC[C@H](NC(=O)NC[C@H]2CCS(=O)(=O)C2)C1 884048403 JWLYFKJAFBLZAQ-OLZOCXBDSA-N 313.423 -0.182 30 20 DBED C#CCN1CCC[C@@H](NS(=O)(=O)CCCC(=O)OC)C1 885511213 CTNGBPYBYOLCFW-GFCCVEGCSA-N 302.396 -0.043 30 20 DBED C#CC[C@H](CO)NC(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 914378542 DGCIJYLVTYWFEF-WDEREUQCSA-N 303.384 -0.906 30 20 DBED CCN(CCC#N)C(=O)COC(=O)CN(C)S(C)(=O)=O 919082902 FYVLYDQHVROJKC-UHFFFAOYSA-N 305.356 -0.817 30 20 DBED CS(=O)(=O)N1CC[C@H](NC(=O)N2CCC[C@H](C#N)C2)C1 923071679 ZKXGLUCBCIGWSK-MNOVXSKESA-N 300.384 -0.035 30 20 DBED CN(C(=O)[C@H]1CCNC1=O)[C@@H]1CCN(C(=O)C#CC2CC2)C1 937350288 SETVLIBHMNNXHU-OLZOCXBDSA-N 303.362 -0.405 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@H](NC(=O)[C@H]3COCCO3)C2)c1 937699052 LTWDVBIKKXLXAC-WCQYABFASA-N 318.333 -0.368 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2cc[nH]n2)C1 937701853 UJFUDGOBQDGPEK-JSGCOSHPSA-N 315.377 -0.162 30 20 DBED Cc1nc(C(=O)N[C@H]2CCN(C(=O)[C@@H](C)C#N)C2)c(=O)[nH]c1C 938158042 PTSIGCGHLPVGTH-KWQFWETISA-N 317.349 -0.123 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](NC(=O)c2c[nH]c(C(N)=O)c2)C1 940555200 OYIHTSBJVNLZDJ-PSASIEDQSA-N 303.322 -0.396 30 20 DBED C=CC(C)(C)C(=O)N1CCO[C@@H](CNC(=O)c2ncn(C)n2)C1 944582629 NUARVKDULLJAFG-NSHDSACASA-N 321.381 -0.016 30 20 DBED C[C@H](NC(=O)c1ccc(C#N)[nH]1)[C@H]1CCCN(C(=O)C(N)=O)C1 945667889 KCJNZVHYVNKQJQ-UWVGGRQHSA-N 317.349 -0.271 30 20 DBED CN1CCO[C@@H](C(=O)NC2CCN(C(=O)C#CC3CC3)CC2)C1 946690948 WXXHSRBSHPMSLG-OAHLLOKOSA-N 319.405 -0.162 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2[C@H]3C[C@H]2N(C(=O)c2cnn[nH]2)C3)nc1 947669341 NCCBSVCOVPACLS-GDLCADMTSA-N 322.328 -0.176 30 20 DBED C#CCN1CC(N(CC)C(=O)[C@@H]2CCc3nnc(O)n3C2)C1 950654201 MRVDDWXNTAPOBY-LLVKDONJSA-N 303.366 -0.288 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]1CNC(=O)c1ccnc2[nH]nnc12 951326317 LUHSPUCKRUXAKF-DTWKUNHWSA-N 313.321 -0.157 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]1CNC(=O)c1cc(C(N)=O)co1 952132696 UQKAQIRQLPOMBE-PSASIEDQSA-N 304.306 -0.131 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(N(C)C(=O)[C@H]2COC(=O)N2)CC1 953906269 XNSXIDWNTJCWDH-GXSJLCMTSA-N 308.338 -0.296 30 20 DBED CN(C(=O)c1cn(C)nn1)C1CN(C(=O)c2c[nH]c(C#N)c2)C1 954211726 WOCOWZLGCYURQA-UHFFFAOYSA-N 313.321 -0.389 30 20 DBED O=C1N[C@@H](C(=O)NC[C@@H]2CCCN2C(=O)C#CC2CC2)CO1 956004110 BDRDGCNLXCDEPV-NWDGAFQWSA-N 305.334 -0.385 30 20 DBED CC1(NC(=O)c2cc(C#N)c[nH]2)CCN(C(=O)C(N)=O)CC1 956328635 FSVJNDZHZWVHNY-UHFFFAOYSA-N 303.322 -0.517 30 20 DBED CN1CCO[C@@H](C(=O)N[C@]2(C)CCN(C(=O)C#CC3CC3)C2)C1 956793155 YCHJMCJHQOBRPK-RHSMWYFYSA-N 319.405 -0.162 30 20 DBED C#Cc1cncc(C(=O)N[C@@]2(C)CCN(C(=O)CC(N)=O)C2)c1 957534910 BMXBBTOJQFWSOR-INIZCTEOSA-N 314.345 -0.341 30 20 DBED C#CCN1CCC(C(=O)N2CCN([C@H](CC)C(N)=O)CC2)CC1 957776605 NCZQLMXCIQTAPL-OAHLLOKOSA-N 320.437 -0.260 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2cccc(C(=O)NC)c2)C1 958694187 JEEMHWWVRICAHE-CABCVRRESA-N 315.373 -0.298 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)C3(CF)CC3)C[C@@H]2O)[nH]1 962347437 SIQLLMNKZSLMJB-NEPJUHHUSA-N 320.324 -0.062 30 20 DBED C#Cc1ccc(C(=O)N2CCC[C@@H](NC(=O)C(N)=O)CC2)nc1 965144744 XYWHOMKNMHSUKE-GFCCVEGCSA-N 314.345 -0.341 30 20 DBED C#CCNC1CC2(C1)CC(NC(=O)[C@@H]1COCCN1C(C)=O)C2 965925342 LCWQFIJMQLUOHP-LETWWHAPSA-N 319.405 -0.116 30 20 DBED N#Cc1c[nH]c(C(=O)N2[C@H]3CC[C@H]2CN(C(=O)C(N)=O)C3)c1 968772615 QBFDJONZYJIMMH-UWVGGRQHSA-N 301.306 -0.813 30 20 DBED O=C1NC[C@H](C(=O)N2[C@H]3CC[C@H]2CN(C(=O)C#CC2CC2)C3)N1 969775609 JWCCBMKFUYMCIJ-RWMBFGLXSA-N 316.361 -0.717 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CC[C@H]1CN2CCN1CCNC1=O 971191754 ALNHUPKVONSTSI-UPJWGTAASA-N 305.382 -0.154 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CC[C@H]1CN2CCN1C(=O)CCC1=O 971194934 LKWSYRJFSICRMF-UPJWGTAASA-N 318.377 -0.030 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)[C@@H](C)S(C)(=O)=O)C2)C1 972435039 LIJKTRRAAVUZPI-TZMCWYRMSA-N 314.407 -0.644 30 20 DBED C#Cc1cncc(C(=O)N2CC[C@]3(CN(CCO)CCO3)C2)c1 972546344 NUOGRRMUIPCKTC-KRWDZBQOSA-N 315.373 -0.028 30 20 DBED CC#CCN1C[C@@H](NC(=O)CN2CCC(=O)NC2=O)C(C)(C)C1 977489105 TVVAXVGTYBTBDB-GFCCVEGCSA-N 320.393 -0.222 30 20 DBED CC#CCN1C[C@H](NC(=O)c2cn(CC(N)=O)nn2)C(C)(C)C1 977622685 RKZNNAUNBUXPTQ-LBPRGKRZSA-N 318.381 -0.773 30 20 DBED N#Cc1ccc(C(=O)NC[C@H]2[C@@H]3CN([C@H]4CCNC4=O)C[C@H]23)[nH]1 978022749 QEXOUMRRTVKTDG-FMSGJZPZSA-N 313.361 -0.318 30 20 DBED C#CCN[C@@H]1CCN(C(=O)c2nc(O)nc(O)c2OC)[C@H]1C 987347795 BHVWCQAZYHWCKT-DTWKUNHWSA-N 306.322 -0.278 30 20 DBED C=CCN[C@@H]1CCN(C(=O)CN2CCS(=O)(=O)CC2)[C@H]1C 987513968 JXRJHOLAQZECET-QWHCGFSZSA-N 315.439 -0.518 30 20 DBED C=CCCN1CCCN(C(=O)c2cn(CC(N)=O)nn2)CC1 989739297 QMRJDVCQMANVQJ-UHFFFAOYSA-N 306.370 -0.513 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NC1CN(C(=O)c2ncn(C)n2)C1 992061830 KFXDSSUXWGJGOX-NEPJUHHUSA-N 319.365 -0.263 30 20 DBED CC#CCN1CCC[C@@H](NC(=O)c2nnc(O)nc2O)[C@H]1C 993547040 KZRCTTHLCAGCQZ-NXEZZACHSA-N 305.338 -0.111 30 20 DBED C=C[C@@](C)(CC)C(=O)N1CC(NC(=O)C[C@H]2CC(=O)NC2=O)C1 995307675 ZGSUTYPHFDMSGP-QFYYESIMSA-N 321.377 -0.032 30 20 DBED C#Cc1ccc(C(=O)N2C[C@H](NC(=O)C(N)=O)C(C)(C)C2)nc1 1008521690 MVVQCOFSQNUEOG-LBPRGKRZSA-N 314.345 -0.485 30 20 DBED CCn1nncc1C(=O)NC1[C@H]2CN(C(=O)C#CC3CC3)C[C@H]12 1013048379 DEJBUDMOZPQRKR-RYUDHWBXSA-N 313.361 -0.102 30 20 DBED C#CCCN1CCC2(CC1)C[C@@H]2NC(=O)CN1CCNC(=O)C1 1016760621 ACZYXEZDPTVJBP-AWEZNQCLSA-N 318.421 -0.588 30 20 DBED C#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CC(=O)N(C)C1=O 1018171092 ZQRSKHALDOEBFM-TXEJJXNPSA-N 304.350 -0.811 30 20 DBED C#CCN1CC[C@@H](N(C)C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1 1033423080 UVWCNESKLIURGS-HZSPNIEDSA-N 307.394 -0.212 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)[C@@H]2CCc3nncn3C2)C1 1035608612 HPEMTLSTTOBGEL-OLZOCXBDSA-N 303.366 -0.709 30 20 DBED C#CCN1CCO[C@H](CNC(=O)[C@H]2CCc3c[nH]nc3C2)C1 1035611078 QQKFEUDSNBPQNU-GXTWGEPZSA-N 302.378 -0.035 30 20 DBED C#CCN[C@H]1CCN(C(=O)Cn2nc(C)n(C)c2=O)C[C@H]1C 1036277847 YEPCDEQNPWJJOO-YPMHNXCESA-N 305.382 -0.650 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@@H]2CCN2[C@H]2CCCNC2=O)c1 1038139865 LVOFOAMJZRERKK-AAEUAGOBSA-N 301.350 -0.031 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2CCN2Cc2nnnn2C)cn1 1038942036 QANZWUXINFNTKJ-ZDUSSCGKSA-N 311.349 -0.409 30 20 DBED C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1COCCN1C(C)=O 1039471526 BREDBDSPAQGTCI-OWCLPIDISA-N 319.405 -0.068 30 20 DBED C#CCCCC(=O)NC[C@]1(O)CCN(C(=O)c2ccncn2)C1 1039573514 HVUZPFJDXLCLIO-MRXNPFEDSA-N 316.361 -0.027 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@]1(O)CCN(C(=O)c2cc[nH]n2)C1 1039575808 GILUXCXADLGMLX-CABCVRRESA-N 322.365 -0.570 30 20 DBED O=C(C#CC1CC1)NC[C@@]1(O)CCN(C(=O)c2cnns2)C1 1039677396 HNHPCIFFHOWGBX-AWEZNQCLSA-N 320.374 -0.355 30 20 DBED CCn1cnc(C(=O)NC[C@@]2(O)CCN(C(=O)[C@@H](C)C#N)C2)c1 1040357561 QIBFFOPIFWSAPG-NHYWBVRUSA-N 319.365 -0.244 30 20 DBED C=CC(C)(C)C(=O)NC[C@@]1(O)CCN(C(=O)c2cnn[nH]2)C1 1040490797 MHQXIHYMGLDMFS-AWEZNQCLSA-N 307.354 -0.290 30 20 DBED Cc1cc(C(=O)N[C@@H]2CN(c3nccnc3C#N)C[C@H]2O)on1 1040930394 CUGIPEVPRMCGIB-GHMZBOCLSA-N 314.305 -0.376 30 20 DBED N#CCN1CC[C@]2(CCN(C(=O)C[C@H]3CC(=O)NC3=O)C2)C1 1041861818 UNLSWUCGUBUSRF-ABAIWWIYSA-N 304.350 -0.513 30 20 DBED Cc1nc(C(=O)NCC2(O)CN(C(=O)CSCC#N)C2)co1 1042744746 WLCXAPCUPJHOJF-UHFFFAOYSA-N 324.362 -0.457 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)C2(N(C)C)CCC2)C1 1042801397 LNBUIWLBBZRDJX-UHFFFAOYSA-N 321.421 -0.036 30 20 DBED C=CCCCC(=O)NCC1(O)CN(C(=O)[C@@H](C)NC(C)=O)C1 1045451107 KOCYNJOFWRKLMZ-LLVKDONJSA-N 311.382 -0.443 30 20 DBED C=CCCCC(=O)N1CC(O)(CNC(=O)Cc2nonc2C)C1 1045640780 CBKZNSRKBJKKMZ-UHFFFAOYSA-N 322.365 -0.034 30 20 DBED C#CCN1CCC2(CC1)CO[C@H](CNC(=O)[C@H]1COC(=O)N1)C2 1045669853 JMXMPGIBZNQGCQ-QWHCGFSZSA-N 321.377 -0.285 30 20 DBED C=C(C)CCN1CC[C@@](C)(NC(=O)c2cn(CC(N)=O)nn2)C1 1046853790 FKAGJCBXVABJLS-OAHLLOKOSA-N 320.397 -0.076 30 20 DBED N#CCSCC(=O)N1C[C@H]2C[C@@H](NC(=O)CC(N)=O)C[C@H]1C2 1047417372 UIMOHSXIYJFRMV-HBNTYKKESA-N 324.406 -0.386 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cc[nH]n2)C1 1048327712 RRCCJDDJQMJDKR-STQMWFEESA-N 304.350 -0.143 30 20 DBED C=CCCC(=O)N(C)[C@H]1CN(C(=O)CN2CCCC2=O)C[C@@H]1O 1048506689 VBPSVTJPJRUIAQ-STQMWFEESA-N 323.393 -0.395 30 20 DBED C=CCOCC(=O)N(C)[C@H]1CN(C(=O)[C@H](CC)OC)C[C@@H]1O 1048554782 HKITVWSCRLQOLO-AVGNSLFASA-N 314.382 -0.356 30 20 DBED C#CCCCC(=O)N[C@@H](C)[C@H]1CCN(C(=O)Cn2cnnn2)C1 1049969351 RIUQCDYJUQXIML-STQMWFEESA-N 318.381 -0.170 30 20 DBED C#CCCN1CCOC[C@@H]1CNC(=O)c1cn(CCOC)nn1 1050910642 KDFRMVPKEFNHAN-ZDUSSCGKSA-N 321.381 -0.622 30 20 DBED CC(=O)Nc1ccc(C(=O)NC[C@@H]2COCCN2CC#N)nc1 1050947116 PEHUTKAPQDNCOI-CYBMUJFWSA-N 317.349 -0.006 30 20 DBED N#Cc1ccc(CNC[C@@H]2CN(C(=O)C(N)=O)CCO2)c(F)c1 1051794289 JNHRPUIFNWVLAJ-GFCCVEGCSA-N 320.324 -0.500 30 20 DBED CC#CCN1CCN([C@H]2CCN(C(=O)C(C)(C)C(N)=O)C2)CC1 1052042085 XRGQDFAABYSLCJ-AWEZNQCLSA-N 320.437 -0.260 30 20 DBED C=C(C)CN1CC2(C[C@H](NC(=O)[C@@H]3CN(C)CCO3)CO2)C1 1053765993 CAVNXYKIMPFJFP-KBPBESRZSA-N 309.410 -0.147 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)[C@@H]3CCN(C)C(=O)C3)CO2)C1 1053849797 VBWQHWOLTGDTGH-OLZOCXBDSA-N 305.378 -0.553 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)[C@H]3CCNC(=O)CC3)CO2)C1 1053881671 MYJVXBNWPFMMFS-ZIAGYGMSSA-N 319.405 -0.115 30 20 DBED C[C@@H](C#N)C(=O)NC1CCN(CCNC(=O)[C@@H]2CCOC2)CC1 1055540255 XGTGBMOZKZXVJS-QWHCGFSZSA-N 322.409 -0.121 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@](CO)(NC(=O)C2=CCOCC2)C1 1055898012 GGPMYSOCSWILIG-BLLLJJGKSA-N 321.377 -0.038 30 20 DBED C[C@@]1(C(=O)N2CC[C@@H](Nc3cnc(C#N)cn3)C2)CNC(=O)C1 1056738575 JGEOKLMZQLCOOU-BMIGLBTASA-N 314.349 -0.113 30 20 DBED CN(c1ccc(C#N)nn1)[C@H]1CCN(C(=O)c2cn(C)nn2)C1 1056916868 ITVMJTSCCYKZKM-NSHDSACASA-N 312.337 -0.172 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)Cc1cccnc1 1057350395 BNGJGEYYRNDAAB-LBPRGKRZSA-N 304.350 -0.279 30 20 DBED N#Cc1cccnc1N1CC[C@@H](NC(=O)[C@H]2COC(=O)N2)C1 1058350059 CLKOEHFWMOCQOE-GHMZBOCLSA-N 301.306 -0.243 30 20 DBED C=C[C@@H](C)[C@@H](C)C(=O)N(CCO)CCNC(=O)c1cnnn1C 1058435402 JTGZBRUOPLJWSC-VXGBXAGGSA-N 323.397 -0.176 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)CCN1CCCCC1 1058661484 XOQCJGNSGNSZAF-AWEZNQCLSA-N 324.425 -0.041 30 20 DBED N#Cc1cncc(N[C@H]2CCN(C(=O)Cn3cnnc3O)C2)n1 1058854472 DJUVLRHZYYOFRT-VIFPVBQESA-N 314.309 -0.642 30 20 DBED N#Cc1cnc(N[C@H]2C[C@H](NC(=O)Cn3cnnn3)C2)c(F)c1 1059150780 XEBHVXJQJRYAIS-MGCOHNPYSA-N 316.300 -0.162 30 20 DBED CN1CCO[C@H](C(=O)N[C@H]2C[C@H](N=c3cc[nH]cc3C#N)C2)C1 1059170884 WPIKHERIBFAFAF-YDHLFZDLSA-N 315.377 -0.235 30 20 DBED NC(=O)[C@@H]1C[C@@H]1C(=O)NCC[C@@H]1CCN(C(=O)C#CC2CC2)C1 1059624505 QSTWCXUJCQVBBY-MCIONIFRSA-N 317.389 -0.124 30 20 DBED NC(=O)[C@@H]1C[C@@H]1C(=O)NCC[C@H]1CCN(C(=O)C#CC2CC2)C1 1059624506 QSTWCXUJCQVBBY-MJBXVCDLSA-N 317.389 -0.124 30 20 DBED CNC(=O)NCC(=O)N1CCC2(CC1)CN(C(=O)[C@@H](C)C#N)C2 1061113726 YRTAXJZJAYMQSG-NSHDSACASA-N 321.381 -0.474 30 20 DBED C#CCOCCC(=O)N1CCOC[C@@H]1CNC(=O)c1cc[nH]n1 1061332001 QMAHAQHPNIYBEI-LBPRGKRZSA-N 320.349 -0.593 30 20 DBED C=CCCC(=O)NC[C@@H]1COCCN1C(=O)CN(C)C(C)=O 1061395666 ABRBFCDVTOSVHL-CYBMUJFWSA-N 311.382 -0.226 30 20 DBED C=CCCCC(=O)NC[C@@H]1COCCN1C(=O)CC(=O)NC 1061830084 DHVOZICFONBZBX-GFCCVEGCSA-N 311.382 -0.178 30 20 DBED O=C(C#CC1CC1)NC1(CNC(=O)[C@@H]2CCC(=O)N2)CCC1 1063837224 MEMWAMNIIGHILK-LBPRGKRZSA-N 303.362 -0.167 30 20 DBED CCc1nc(C#N)cc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)C(N)=O)n1 1064336795 MRZLEJUMPSIFDC-FDOIEUKUSA-N 300.322 -0.911 30 20 DBED COCC(=O)N1CCO[C@H](CNC(=O)CSCC#N)C1 1064753237 JLHMFEFYNWRNKC-SNVBAGLBSA-N 301.368 -0.767 30 20 DBED Cc1cc(C#N)nc(N[C@@H](C)[C@H]2CCN(C(=O)C(N)=O)C2)n1 1065766109 DONJSMQUNXFBGA-UWVGGRQHSA-N 302.338 -0.209 30 20 DBED Cc1cc(C#N)nc(NC[C@@H]2CN(C(=O)CC(N)=O)CCO2)n1 1066607948 ZNBYXLVARSZXJM-LLVKDONJSA-N 318.337 -0.829 30 20 DBED C#CCOCCC(=O)N[C@H]1COC2(C1)CN(C(=O)[C@H](C)OC)C2 1068867794 DDRWQKKPYGTENY-QWHCGFSZSA-N 324.377 -0.453 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2nnn(C)c2C)C[C@@H]1n1ccnn1 1070164941 SYPWHJDQDJBMMN-NEPJUHHUSA-N 314.353 -0.996 30 20 DBED CCn1ncc(C(=O)N2C[C@H](n3ccnn3)[C@H](NCC#N)C2)n1 1070190305 XZQBCXJEUJYLBC-NEPJUHHUSA-N 315.341 -0.932 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)C[C@H]1c1cn(C)cn1 1070556062 JOIFEKZTFLPATJ-SGMGOOAPSA-N 315.377 -0.784 30 20 DBED CC(C)C#CC(=O)N1CCC[C@@H](NC(=O)[C@H]2CCNC2=O)C1 1070701491 PQRXPIGAZJRVGP-OLZOCXBDSA-N 305.378 -0.111 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC[C@@H](NC(=O)CN(C)C(C)=O)C1 1070727399 YKHXXRXTPQJGGZ-GXTWGEPZSA-N 323.393 -0.390 30 20 DBED CC#CCN1C[C@H]2C[C@H]3CN(C(=O)Cn4nccn4)C[C@@]3(C1)O2 1070806999 XONAJVUEAKPZTD-SQWLQELKSA-N 315.377 -0.397 30 20 DBED C[C@H]1CO[C@@H](C(=O)N2CCC(=O)NCCN(CC#N)CC2)C1 1070980910 AOCFYURFYZFCLB-CHWSQXEVSA-N 308.382 -0.415 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCCN(C(=O)[C@@H](C)C#N)C1 1071226455 BFOMXQPIOSHBKP-NWDGAFQWSA-N 304.350 -0.607 30 20 DBED C=CCCC(=O)N[C@@H]1CN(C(=O)Cn2cnnc2O)C[C@@H]1C 1071943986 UTLBUVXMDWEKAT-WDEREUQCSA-N 307.354 -0.087 30 20 DBED C=CCn1cc(C(=O)N2CC3(CCN(C[C@H](C)O)C3)C2)nn1 1073043093 NVRKXIPYHPFKNC-LBPRGKRZSA-N 305.382 -0.007 30 20 DBED C#CCCN1CCCO[C@H](CNC(=O)c2nnn(C)c2C)C1 1073562099 KOHGISHRJJFHNL-CYBMUJFWSA-N 305.382 -0.032 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCN(C(=O)CC(=O)NC)C[C@H]1C 1073959117 CHWSZEKCGXOMLZ-CHWSQXEVSA-N 323.393 -0.484 30 20 DBED COc1cc(C(=O)N2CC[C@@H]3OCCN(CC#N)[C@@H]3C2)nn1C 1074294805 SYPGUTKADACRPF-OLZOCXBDSA-N 319.365 -0.132 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)c3ccc(C(N)=O)[nH]3)C[C@H]21 1074341012 OMQNYFBVAWFGAJ-KGLIPLIRSA-N 316.361 -0.338 30 20 DBED C[C@@H]1C[C@H](NC(=O)CC(N)=O)CCN1C(=O)c1cc(C#N)c[nH]1 1074908194 WIRMUZZGNAYVFA-MWLCHTKSSA-N 317.349 -0.129 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H](C)CCNC(=O)CNC(=O)OC 1075763871 VDCYBWONZHJKLS-QWRGUYRKSA-N 313.354 -0.608 30 20 DBED N#CCN1C[C@@H]2CCN(C(=O)CN3CCCS3(=O)=O)[C@@H]2C1 1075859048 QXKKVCIPAXVXLQ-NWDGAFQWSA-N 312.395 -0.922 30 20 DBED C[C@@H](CCNC(=O)[C@H]1COCCN1C)NC(=O)C#CC1CC1 1076205627 JISZIASPEUGEKW-GXTWGEPZSA-N 307.394 -0.259 30 20 DBED C=CCOCC(=O)N[C@@H](C)CCNC(=O)COCCN(C)C 1077494139 BTSIWCRYKHGPEN-ZDUSSCGKSA-N 315.414 -0.222 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(Cc3ncccn3)C[C@H]2O)cn1 1078032512 RVWCKDRWVVAITE-HUUCEWRRSA-N 323.356 -0.172 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2cc3c(nc2O)CCC3)C1 1078181067 HCBQXLZOHVQPGK-CHWSQXEVSA-N 302.334 -0.426 30 20 DBED Cc1c[nH]c(C(=O)NC2(CO)CCN(C(=O)[C@H](C)C#N)CC2)n1 1080872479 VNGTZFLSLLUZBB-SNVBAGLBSA-N 319.365 -0.039 30 20 DBED C#CCCCCCC(=O)NC1(CO)CCN(C(=O)C(N)=O)CC1 1080934036 YPRILZVLOQOGPY-UHFFFAOYSA-N 323.393 -0.475 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cc(C)on2)C1 1081231641 OKHRYVYMAGBZIW-WCQYABFASA-N 323.349 -0.265 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@@H]1O 1081335273 JKQZYLBSMSJXIN-PWSUYJOCSA-N 320.349 -0.715 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)c2cnnn2C)C[C@@H]1O 1081442418 VBVZFXLZXCOLJG-AAEUAGOBSA-N 319.365 -0.832 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)Cc2cnc[nH]2)C[C@H]1O 1081444882 OHBFTSXIIXXBAD-TZMCWYRMSA-N 318.377 -0.309 30 20 DBED C#CCOCCC(=O)NC[C@H]1CN(C(=O)c2cnco2)C[C@@H]1O 1081488618 KAFOBXQTYDLDKX-RYUDHWBXSA-N 321.333 -0.736 30 20 DBED C=CCC(C)(C)C(=O)NC[C@H]1CN(C(=O)c2cnn[nH]2)C[C@H]1O 1081492561 ZUVLTXYMQMMNFJ-CMPLNLGQSA-N 321.381 -0.044 30 20 DBED O=C(Cn1ccnc1)NC[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 1081580814 STIYPYJXCJAVBO-KGLIPLIRSA-N 316.361 -0.768 30 20 DBED C=CCCCC(=O)NC[C@H]1CN(C(=O)CNC(C)=O)C[C@@H]1O 1081700429 HUOSIRKQGFOQRQ-STQMWFEESA-N 311.382 -0.586 30 20 DBED C=C(C)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)C[C@@H]1NC(=O)NC1=O 1083108858 TXKNXMOLEPQRII-SDDRHHMPSA-N 322.365 -0.928 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CCc1cn(C)nn1 1083293048 KTENJEVPYWKNPU-LSDHHAIUSA-N 317.393 -0.317 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)[C@]2(C)CNC(=O)C2)C1 1083664401 OFFXSQGIUIHLDA-NRUUGDAUSA-N 301.774 -0.574 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CC(=O)N(CCC)C2)C1 1083820864 JLHVXFVYNMTCEC-MCIONIFRSA-N 307.394 -0.571 30 20 DBED C#CCN[C@H]1C[C@@H](CNC(=O)c2cn([C@H]3CCOC3)nn2)C1 1086249666 KUHCGZONFYUSHD-XQQFMLRXSA-N 303.366 -0.029 30 20 DBED Cn1cc([C@@H]2CN(C(=O)[C@@H]3CCC(=O)N3)C[C@H]2NCC#N)cn1 1087006522 HBUZGJUXLXYQCI-RWMBFGLXSA-N 316.365 -0.894 30 20 DBED C=CCN1CC[C@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)[C@H]1CC 1087833611 KJHQIRFVCVIPRS-SDDRHHMPSA-N 301.412 -0.167 30 20 DBED C[C@@H](C[C@@H](C)N=c1cc[nH]c(C#N)n1)NC(=O)Cn1cnnn1 1089215485 QMJNGIZOBDUZTO-ZJUUUORDSA-N 315.341 -0.848 30 20 DBED N#CCN1C[C@@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CCn2cnnn2)C1 1089882222 WETFYHZBIHBAQL-FQUUOJAGSA-N 315.381 -0.244 30 20 DBED C=CCN1CC[C@@H](NC(=O)c2cn(C)nc2COC)[C@@H](O)C1 1090372592 WDFREPNPWFLTAE-OCCSQVGLSA-N 308.382 -0.083 30 20 DBED COC[C@H](C)C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1O 1090386791 AJBCMDZTVXIJAX-MVWJERBFSA-N 305.338 -0.704 30 20 DBED CCC(=O)NCC(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1O 1090389554 MKAWGTGGCPUFEV-CHWSQXEVSA-N 317.349 -0.855 30 20 DBED C=CCCN1CC[C@@H](NC(=O)c2cc(C(N)=O)cn2C)[C@H](O)C1 1090398936 JWFJLIHBAIUNGU-TZMCWYRMSA-N 320.393 -0.135 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2cn(CC=C)nn2)[C@H](O)C1 1090639126 VYGJRLTVAHAITB-GXTWGEPZSA-N 303.366 -0.348 30 20 DBED C=CCCN1CC[C@H](NC(=O)c2cccnc2C(N)=O)[C@H](O)C1 1090824344 MGEKCIAURHPJMK-QWHCGFSZSA-N 318.377 -0.078 30 20 DBED C=CCN1CC2(C[C@@H](NC(=O)[C@H]3COC(=O)N3)c3nccn32)C1 1092366904 XXUMMGAIIPJTST-GHMZBOCLSA-N 317.349 -0.251 30 20 DBED N#Cc1cnc(NCCNC(=O)C2CCN(C(N)=O)CC2)cn1 1093629285 IESHXZDJXPYEOA-UHFFFAOYSA-N 317.353 -0.333 30 20 DBED CO[C@H](C(=O)NCCNc1nccnc1C#N)c1cnn(C)c1 1094011580 LPTYTZPUKJTUBL-LBPRGKRZSA-N 315.337 -0.002 30 20 DBED Cc1nsc(NCCNC(=O)c2nnc(O)nc2O)c1C#N 1094253274 IRCNFIBISWWRST-UHFFFAOYSA-N 321.322 -0.239 30 20 DBED C#Cc1ccc(C(=O)NCc2cn(C3CN(CC#N)C3)nn2)nc1 1094334485 RXFLKNPIWDMAKE-UHFFFAOYSA-N 321.344 -0.035 30 20 DBED C#CCCN1CC(N2C[C@@H](NC(=O)c3cnn(C)c3)CC2=O)C1 1094702915 HJFSVBFUERGDNJ-ZDUSSCGKSA-N 315.377 -0.542 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](Nc2cnc(F)cn2)C1 1095034931 IEEKQSXHYWXCQC-SNVBAGLBSA-N 305.313 -0.232 30 20 DBED CC(=O)N(C)CC(=O)N1CC[C@@H](N(C)c2cncc(C#N)n2)C1 1095109703 YFKVBQFWZRBUCZ-CYBMUJFWSA-N 316.365 -0.136 30 20 DBED CC(=O)N[C@@H](C)C(=O)N[C@H]1CCCN(c2ccnc(C#N)n2)C1 1096134614 LEIFDYUXMHTUMA-JQWIXIFHSA-N 316.365 -0.042 30 20 DBED C#CCCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN1C(=O)CCC1=O 1096509350 HVGWTLQCAMKZLV-AGIUHOORSA-N 303.362 -0.120 30 20 DBED CS(=O)(=O)CC(=O)NC[C@H](N=c1cc[nH]cc1C#N)C1CC1 1096611669 OIJHPZZCDIFBMS-ZDUSSCGKSA-N 322.390 -0.274 30 20 DBED N#Cc1ccc(N[C@@H](CNC(=O)Cn2ncnn2)C2CC2)nc1 1096731174 NRIFNKDROXHQBA-LBPRGKRZSA-N 312.337 -0.053 30 20 DBED CNC(=O)C1(C(=O)N2CC[C@H](N=c3cc[nH]c(C#N)n3)C2)CC1 1096947421 UEPDIKSWIGCQJS-JTQLQIEISA-N 314.349 -0.691 30 20 DBED CNC(=O)C1(C(=O)NC[C@H](C)N=c2cc[nH]c(C#N)n2)CCC1 1097978024 NDOXOOQDJMTMIN-JTQLQIEISA-N 316.365 -0.397 30 20 DBED C[C@@H](CNC(=O)[C@]1(C)CCNC1=O)Nc1ccc(C#N)nn1 1098261917 VHPSMAQUWCTKNH-LKFCYVNXSA-N 302.338 -0.209 30 20 DBED CNC(=O)CC(=O)N1CC[C@H](CNc2ccc(C#N)nn2)C1 1098521454 DMMYONGUGGGXOO-SNVBAGLBSA-N 302.338 -0.255 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@@H](n2cc(CNCC#N)nn2)C1 1098672650 HTNCFGUURJKCIE-TZMCWYRMSA-N 316.365 -0.297 30 20 DBED N#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCS(=O)(=O)C2)C1 1098931046 LUKAUSZQAAJHAL-DYEKYZERSA-N 311.407 -0.085 30 20 DBED COC[C@@H](OC)C(=O)NCC[C@H](C)N=c1cc[nH]c(C#N)n1 1099677173 PVRXWASCFPNFBA-WDEREUQCSA-N 307.354 -0.262 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)CNC(=O)CC)[C@@H](O)C1 1099740717 IPAWJAAUYYSSIV-STQMWFEESA-N 313.398 -0.733 30 20 DBED C=CCCCN1CC[C@H](NC(=O)c2cn(C)c(=O)cn2)[C@H](O)C1 1099924276 RBJANMXSBOQYPN-GXTWGEPZSA-N 320.393 -0.089 30 20 DBED C=CCCCC(=O)N[C@@H]1CCN(CCS(C)(=O)=O)C[C@@H]1O 1099975682 GBCPVJGHWQLAKF-OLZOCXBDSA-N 318.439 -0.061 30 20 DBED CC(C)(C)CC(=O)NCC(=O)N[C@@H]1CCN(CC#N)C[C@H]1O 1100119186 GEEDQGMBQCKMCR-VXGBXAGGSA-N 310.398 -0.386 30 20 DBED CN(CCNC(=O)[C@H]1CCS(=O)(=O)N1)c1ccncc1C#N 1100120568 FOYLMURHFBDMST-LLVKDONJSA-N 323.378 -0.803 30 20 DBED C=CCOCC(=O)NCC1CC(N[C@@H](C)c2nnnn2C)C1 1100186648 FBJVWDQYYYGRAR-UNXYVOJBSA-N 308.386 -0.042 30 20 DBED CN(CCNC(=O)[C@@H]1CCC(=O)N1C)c1cnc(C#N)cn1 1100264548 SBPJNYGUXDOCLW-NSHDSACASA-N 302.338 -0.479 30 20 DBED CCN(CCNC(=O)[C@@H]1CC[C@@H]1C(N)=O)c1cncc(C#N)n1 1100695248 QRPPEKHYCQUWJF-NWDGAFQWSA-N 316.365 -0.198 30 20 DBED CCN(CCNC(=O)C1(C(N)=O)CC1)c1ccnc(C#N)n1 1100698581 DGDHMNHNILXNHK-UHFFFAOYSA-N 302.338 -0.444 30 20 DBED C=CCCOCC(=O)NCC1CC(N[C@H]2CCC(=O)NC2=O)C1 1101055007 CWLHTCSFWSJTIT-BPCQOVAHSA-N 323.393 -0.131 30 20 DBED CNC(=O)NCCC(=O)N(C)CCNc1nc(C)cc(C#N)n1 1101574533 POFQESPZUKNEMZ-UHFFFAOYSA-N 319.369 -0.154 30 20 DBED CC[C@@H](CNC(=O)CNC(=O)NC)Nc1cncc(C#N)n1 1103352548 IZIKHFXUBLOUNX-VIFPVBQESA-N 305.342 -0.416 30 20 DBED CC#CCN1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 1103476906 CJDBPTJKFWOARG-UPJWGTAASA-N 320.393 -0.318 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)CCCC(N)=O 1104599061 SZHMMHMJKOEVDN-SNVBAGLBSA-N 304.354 -0.315 30 20 DBED C[C@@H]1CN(C(=O)C[C@H]2CC(=O)NC2=O)C[C@H]1CCNCC#N 1105120386 DNLOTFQZYVWWSJ-IJLUTSLNSA-N 306.366 -0.363 30 20 DBED C#CCCNCc1cn(C2CN(C(=O)COCC=C)C2)nn1 1105192460 QKWKRFZBWALENJ-UHFFFAOYSA-N 303.366 -0.023 30 20 DBED CC(C)[C@H](CNC(=O)c1nnn(C)n1)N=c1cc[nH]cc1C#N 1105265914 HNAHDKVKCZPMAM-LBPRGKRZSA-N 314.353 -0.235 30 20 DBED N#Cc1nccnc1NC[C@@H]1CCC[C@@H]1NC(=O)CNC(N)=O 1105655612 RAFSXKNOTUGJIA-UWVGGRQHSA-N 317.353 -0.287 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)[C@H]2COCCO2)nc1 1105779527 DFJPYVJZZAGVSP-NWDGAFQWSA-N 306.322 -0.742 30 20 DBED Cn1cnc(C(=O)NC[C@H](O)CNc2cncc(C#N)n2)c1 1105793267 ZJWSDKPTTGQKCM-SNVBAGLBSA-N 301.310 -0.715 30 20 DBED N#Cc1nc(=NC[C@H](O)CNC(=O)c2ccnc(O)c2)cc[nH]1 1105818294 IMCOUZADOPBVLE-JTQLQIEISA-N 314.305 -0.926 30 20 DBED CC[C@H](C(=O)NC[C@@H](O)CNc1cnc(C#N)cn1)N(C)C 1105925869 INBQZEBPYKNKTM-NWDGAFQWSA-N 306.370 -0.423 30 20 DBED CCN(C)C(C)(C)C(=O)NC[C@H](O)CNc1cncc(C#N)n1 1106010957 HZVDPCXGURSQLN-GFCCVEGCSA-N 320.397 -0.032 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](C)[C@H](CNCCOCC)C1 1106034528 GOINZZUMXMRPDW-ZIAGYGMSSA-N 309.410 -0.154 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)C[C@H]1CCC(=O)N1 1106794479 QKKQVVVVFOXBDI-LLVKDONJSA-N 316.365 -0.301 30 20 DBED C[C@@H]1CN(C(=O)CN2C(=O)NC(=O)C2(C)C)C[C@H]1CNCC#N 1106834817 SMYYZKWDCNPDQU-GHMZBOCLSA-N 321.381 -0.476 30 20 DBED CCN(CCNc1ccc(C#N)nn1)C(=O)Cn1ncnn1 1106851729 LFGUWWIAIYHMRQ-UHFFFAOYSA-N 301.314 -0.705 30 20 DBED CC(=O)N1CCOC[C@@H]1C(=O)N1C[C@@H](C)[C@H](CNCC#N)C1 1107002778 PTRKMXRGCCKAED-MRVWCRGKSA-N 308.382 -0.559 30 20 DBED CC(=O)N1CC(C(=O)NC/C=C/CNc2ccc(C#N)nn2)C1 1107168367 GBNUCWJHFOVSTK-NSCUHMNNSA-N 314.349 -0.089 30 20 DBED N#CCN1CC(n2cc(CNC(=O)CCc3cn[nH]c3)nn2)C1 1107218590 GXJJSTOFCUIWIU-UHFFFAOYSA-N 314.353 -0.370 30 20 DBED Cc1cc(C#N)nc(NC/C=C\CNC(=O)Cn2ncnn2)n1 1107355129 SCOXWWASGKNIEE-IHWYPQMZSA-N 313.325 -0.572 30 20 DBED CS(=O)(=O)CCC(=O)NC/C=C\CNc1cnc(C#N)cn1 1107577448 YPOSMCZTUJFVAY-IHWYPQMZSA-N 323.378 -0.133 30 20 DBED C[C@]1(CNC(=O)c2c[nH]c(C#N)c2)CN(CC(N)=O)CCO1 1107883413 SPOXBPKRPABZPE-AWEZNQCLSA-N 305.338 -0.808 30 20 DBED C#CCOCCC(=O)NC[C@]1(C)CN([C@@H]2CCNC2=O)CCO1 1107940841 XWQPOQREPGASSD-CZUORRHYSA-N 323.393 -0.878 30 20 DBED C#CCOCCC(=O)N[C@H](C)CNc1nccn2nnnc12 1107941200 ZQYLVZBSYZJGML-SNVBAGLBSA-N 303.326 -0.524 30 20 DBED CC(C)N1C[C@H](C(=O)NC[C@@]2(C)CN(CC#N)CCO2)CC1=O 1107983279 IITIBJZBWKODPY-CJNGLKHVSA-N 322.409 -0.026 30 20 DBED COC[C@]1(C(=O)NC[C@]2(C)CN(CC#N)CCO2)CCOC1 1108100673 YYAVLDFTEKDKCA-HUUCEWRRSA-N 311.382 -0.230 30 20 DBED CC#CCN1CCO[C@@](C)(CNC(=O)CN2C(=O)CCC2=O)C1 1108386376 DCTJUQGCTNXEGX-INIZCTEOSA-N 321.377 -0.634 30 20 DBED C[C@@H](CNc1cnc(C#N)cn1)NC(=O)C(=O)NCC1CC1 1108487869 BSMCKSPTIZEABU-VIFPVBQESA-N 302.338 -0.209 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)CCOCCOC)CC2=O)C1 1108594274 NZUCKPBCTXQCMN-ZDUSSCGKSA-N 323.393 -0.926 30 20 DBED C#CCCN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1nnc(O)nc1O)C2 1108720280 LOUHYDGAESZRPC-DCAQKATOSA-N 317.349 -0.111 30 20 DBED COCC(=O)NCCC(=O)N[C@@H](C)CNc1cnc(C#N)cn1 1108748412 RCWGDNZRHXPKTN-JTQLQIEISA-N 320.353 -0.582 30 20 DBED COCC#CCN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1cncn1)C2 1108815022 WMIYKEYVZWBHLM-ZNMIVQPWSA-N 317.393 -0.103 30 20 DBED Cc1cc(C#N)nc(N(C)C[C@@H](C)NC(=O)[C@@H]2COC(=O)N2)n1 1108926844 LYWZYVOXVPUDSK-KOLCDFICSA-N 318.337 -0.294 30 20 DBED Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCC#N)on1 1108928522 NTELMUBPMBFDBS-WOPDTQHZSA-N 317.349 -0.042 30 20 DBED C[C@H](CN(C)c1cnc(C#N)cn1)NC(=O)c1ncn(C)n1 1108932874 GXODYTDZGISWRY-SECBINFHSA-N 300.326 -0.269 30 20 DBED C[C@]1(C(=O)NCC2(N=c3cc[nH]cc3C#N)CC2)CNC(=O)C1 1110288013 VSIBRGJVEPFABG-OAHLLOKOSA-N 313.361 -0.038 30 20 DBED CN1C[C@H](C(=O)NCC2(Nc3cncc(C#N)n3)CC2)NC1=O 1110301413 HWNCNNBRTCGQJV-SNVBAGLBSA-N 315.337 -0.567 30 20 DBED C[C@]1(C(=O)NCC2(Nc3nccnc3C#N)CC2)CCNC1=O 1110344514 KSFXHHVOCPETIY-AWEZNQCLSA-N 314.349 -0.065 30 20 DBED C[C@]1(NC(=O)CNC(N)=O)CCN(c2ncccc2C#N)C1 1110709180 UKSZKDRBMGGGKQ-AWEZNQCLSA-N 302.338 -0.293 30 20 DBED CN(C)C(=O)CC(=O)N[C@@]1(C)CCN(c2cncc(C#N)n2)C1 1110818301 YGICEUFXSWKCHB-HNNXBMFYSA-N 316.365 -0.088 30 20 DBED COc1nc(C)cc(N2C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)C#N)C2)n1 1111176700 OXQWDZVRGCFVDD-USWWRNFRSA-N 319.365 -0.039 30 20 DBED Cn1ccc(C(=O)N(CCO)CCN=c2cc[nH]c(C#N)n2)n1 1111476191 BUPOQQAKFZHBPZ-UHFFFAOYSA-N 315.337 -0.950 30 20 DBED CCOCC(=O)NC[C@H]1CN(c2ccncc2C#N)C[C@H]1O 1112692709 QZDKHNIEKNKAMA-GXTWGEPZSA-N 304.350 -0.097 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)[C@@H]2CCCCN2C)CC1 1113018784 AAWAXRIOUSGMFJ-CABCVRRESA-N 320.437 -0.247 30 20 DBED C[C@H](NC(=O)c1nnn(C)n1)[C@H](C)Nc1cncc(C#N)n1 1113259763 WBNHOTYIIGFAKV-YUMQZZPRSA-N 301.314 -0.509 30 20 DBED COCC#CCN1CCN(C(=O)[C@H]2CCCCC(=O)N2)CC1 1113337317 UPLGHWHYNGFDPZ-CQSZACIVSA-N 307.394 -0.161 30 20 DBED C=CCn1cc(C(=O)N2CCN(C[C@H](O)COC)CC2)nn1 1113413066 FIASNXHUNPLCDN-LBPRGKRZSA-N 309.370 -0.771 30 20 DBED CC(=O)N[C@@H](C)C(=O)NC[C@@H](C)N(C)c1cncc(C#N)n1 1113507845 AJIVZOTXMBLJGJ-ZJUUUORDSA-N 304.354 -0.186 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1)N(C)c1cnc(C#N)cn1 1113672758 QTHYASSIWXOKRN-ONGXEEELSA-N 302.338 -0.432 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)c3ccc(C)nc3)[C@@H]2C1 1113860398 MODHVBFUCQDIDF-ZIAGYGMSSA-N 312.373 -0.201 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H]1[C@@H]2CN(Cc3ncnn3CC)C[C@@H]21 1114271377 UXBIFNHHQCLHEM-CXTNEJHOSA-N 317.393 -0.117 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)C3(C(F)F)CC3)[C@H]2C1 1114282601 CBRPFQWKSDWPCX-IAZYJMLFSA-N 311.332 -0.173 30 20 DBED C=C(Cl)CN1C[C@H]2[C@H](NC(=O)[C@H](C)NS(C)(=O)=O)[C@H]2C1 1114888624 KWWYZTQRUSBFRU-UKKRHICBSA-N 321.830 -0.277 30 20 DBED C#CCN1C[C@H]2[C@H](NC(=O)CS(=O)(=O)N(CC)CC)[C@H]2C1 1114904157 PCFRZGYIPJYEBL-IMRBUKKESA-N 313.423 -0.662 30 20 DBED CC(C)[C@@H](CCNC(=O)CNC(N)=O)N=c1cc[nH]cc1C#N 1115277141 LTSPCDCZIOYHKQ-GFCCVEGCSA-N 318.381 -0.014 30 20 DBED C#CCNC(=O)C1CCN(C(=O)[C@@H](C)N2CCN(C)CC2)CC1 1116938572 UHYQUOPELFNLKE-CQSZACIVSA-N 320.437 -0.390 30 20 DBED Cc1noc(C)c1CCNC(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1118153029 PZXJOEFTMKIRBN-HNNXBMFYSA-N 320.349 -0.173 30 20 DBED CC(C)(C)N1CC[C@H](NC(=O)C(=O)N2CC[C@](F)(C#N)C2)C1=O 1118228780 VTHIDIFBCTWGGS-BONVTDFDSA-N 324.356 -0.034 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@H](CO)Nc1cnc(C#N)cn1 1121404223 DTGXZKLMPCVKNF-RISCZKNCSA-N 305.338 -0.436 30 20 DBED CN1CC[C@H](C(=O)NC[C@@H](CO)Nc2ccc(C#N)cn2)C1 1121589000 DSUPRYSLNIJAEW-STQMWFEESA-N 303.366 -0.206 30 20 DBED Cc1cc(C#N)nc(N[C@@H](CO)CNC(=O)Cc2cnoc2)n1 1122392164 XWTNLADJJARCIF-GFCCVEGCSA-N 316.321 -0.224 30 20 DBED CC(=O)NCC(=O)N1CC[C@H](Nc2ccc(C#N)nn2)[C@H]1C 1122904312 RPBRKOZADHOGIJ-SKDRFNHKSA-N 302.338 -0.114 30 20 DBED CC(=O)N[C@@H](C)C(=O)N(C)C[C@H](O)CNc1cnc(C#N)cn1 1124059924 NJNTXYBFOUPFPB-JOYOIKCWSA-N 320.353 -0.896 30 20 DBED C=CCOCC(=O)N(C)C[C@@H](O)CNc1ccc(C#N)nn1 1124196034 FVGWOWZHTLVIJZ-LBPRGKRZSA-N 305.338 -0.218 30 20 DBED CN(C[C@H](O)CNc1ccc(C#N)cn1)C(=O)c1cn(C)nn1 1124295591 GUOCGQXKUUUWAW-LLVKDONJSA-N 315.337 -0.373 30 20 DBED C=CCOCC(=O)NCCNCC(=O)N(C)Cc1cnn(C)c1 1124773831 XVNVMEJOJVWWLW-UHFFFAOYSA-N 323.397 -0.713 30 20 DBED CCOCC(=O)N(C)C[C@H](O)CN(C)c1cnc(C#N)cn1 1124949641 AKCMKUSKUVDYGG-GFCCVEGCSA-N 307.354 -0.360 30 20 DBED CNC(=O)NCC(=O)NCCNCC#Cc1ccc(F)cc1 1128790534 WQNGVAFNLNNPTA-UHFFFAOYSA-N 306.341 -0.188 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CCN(CC(C)C)C1 1129328398 PDIGAKAPTYFOJY-HUUCEWRRSA-N 322.453 -0.192 30 20 DBED C#CCCN[C@@H]1CN(C(=O)c2ccnnc2)C[C@@H]1n1ccnn1 1130017320 BRTXSKGNUIJORY-KGLIPLIRSA-N 311.349 -0.253 30 20 DBED COCc1sccc1C(=O)NCCNCC(=O)NCC#N 1130254884 AYWUBXBMHOFBJB-UHFFFAOYSA-N 310.379 -0.146 30 20 DBED N#CCN1CC[C@H](c2n[nH]cc2CNC(=O)Cn2ncnn2)C1 1130389521 UJYNQLJTUIAPIK-JTQLQIEISA-N 315.341 -0.975 30 20 DBED CC(C)(C)n1cc(C(=O)NCCNCC(=O)NCC#N)cn1 1130697164 JVIIOOZCHGWCCW-UHFFFAOYSA-N 306.370 -0.403 30 20 DBED C[C@@H](C#N)C(=O)NCc1nc([C@@H]2COCCN2CCF)n[nH]1 1130835880 SCQAYEBFOLISJS-UWVGGRQHSA-N 310.333 -0.077 30 20 DBED CO[C@@H]1C[C@@H](Cn2ccc(NC(=O)CC(N)=O)n2)N(CC#N)C1 1130877646 AVCOYFQDKAVTIT-WDEREUQCSA-N 320.353 -0.690 30 20 DBED C#CCNC(=O)CNCCNC(=O)CCCn1nc(C)cc1C 1134534209 ANXFKFFNQBAIJF-UHFFFAOYSA-N 319.409 -0.265 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NCCNCC(=O)N1CCCC1 1134812643 ONNHRAQGKUUGGQ-AWEZNQCLSA-N 324.425 -0.215 30 20 DBED CCC[C@H]1C[C@H](C(=O)NCCNCC(=O)NCC#N)CCO1 1135850538 QDGKGYMFTZDZTM-OLZOCXBDSA-N 310.398 -0.073 30 20 DBED C=CCN1CCCO[C@@H](CNC(=O)CCn2ncn(C)c2=O)C1 1150021178 GIYKGXFMBXFKOT-ZDUSSCGKSA-N 323.397 -0.635 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1ccc2c(c1)OCCO2 1150857781 XVTXSZHGVBDQRH-UHFFFAOYSA-N 317.345 -0.473 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)c1cncc(C(N)=O)c1 1151299874 IBPUFYLTHCAUDE-JTQLQIEISA-N 319.365 -0.809 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)Cc2ccn(C)n2)C1=O 1157802309 YSSDCKGKAPDDJR-CQSZACIVSA-N 319.409 -0.155 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@H]1CCCc2n[nH]cc21 1158087136 VWAAPHTWYMUIPH-LBPRGKRZSA-N 317.393 -0.325 30 20 DBED COCC#CCNCCCNC(=O)CNC(=O)c1ccncc1 1158610851 MXFHNGSPUSYGHC-UHFFFAOYSA-N 318.377 -0.443 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1c(C)nnn1CC 1159768614 ASUBZCCJCUONDV-UHFFFAOYSA-N 306.370 -0.935 30 20 DBED C#CCNC(=O)CNCCCNC(=O)Cc1ccc(F)cn1 1161189534 BJFVEAOAUYPQIU-UHFFFAOYSA-N 306.341 -0.392 30 20 DBED C[C@@H](NS(C)(=O)=O)C(=O)NCCC1=CCN(CC#N)CC1 1161320966 RYTNLDRDVLJHSV-LLVKDONJSA-N 314.411 -0.414 30 20 DBED C=CCNC(=O)CNC[C@@H]1C[C@H]2CC[C@H]1N(C(=O)CC(N)=O)C2 1177666318 WAHVJSLYKPDITO-FRRDWIJNSA-N 322.409 -0.619 30 20 DBED COCC#CCNCCCCCCNC(=O)c1nnn(C)n1 1179297843 CPCYDBYNAAUVGP-UHFFFAOYSA-N 308.386 -0.260 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@@H](NCCN2CCNC2=O)C1 1182505284 VMJOGFHMBVOLOR-CHWSQXEVSA-N 308.382 -0.760 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)Cc2cnccc2C)C1 1183354112 QDAASXYWDVXGRQ-OAHLLOKOSA-N 314.389 -0.128 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@H]1CCN(C(=O)CSCC#N)C1 1188984240 WVXMADAHMCJQHS-STQMWFEESA-N 322.434 -0.086 30 20 DBED COCC#CCN1C[C@@H]2CCN(C(=O)[C@H](COC)OC)[C@@H]2C1 1189092437 BNSHIFWIBAENLH-ZNMIVQPWSA-N 310.394 -0.170 30 20 DBED CN(CC(=O)NCC#N)[C@H]1CCN(C(=O)c2cc(F)c[nH]2)C1 1191400623 VSQXLUSOEUGWHW-NSHDSACASA-N 307.329 -0.060 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)c2ncccc2O)C1 1192420319 PPHQVGBNXZSMGW-DGCLKSJQSA-N 307.350 -0.235 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@H]1CCN(C(=O)CN(C)CCC)C1 1193640869 FZCORHRKVHOUBM-GJZGRUSLSA-N 322.453 -0.001 30 20 DBED CN(CC(=O)NCC#N)[C@H]1CCN(C(=O)Cn2ccnc2)C1 1194449245 RGTXOIARYGXTLN-LBPRGKRZSA-N 304.354 -0.944 30 20 DBED N#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@]23CCCC[C@H]2C3)C1 1196003491 DRWIXSGRLGGYAK-VPWBDBDCSA-N 320.393 -0.632 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)[C@@H]2COCCN2C)CC1 1200117301 DFYPXCUVJAPMDA-AWEZNQCLSA-N 324.425 -0.800 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)[C@@H]2CCNC(=O)C2)CCCO1 1200238490 MVQUBPRXCLXRIU-ZIAGYGMSSA-N 307.394 -0.257 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)[C@@H]2CN(C)C[C@H]2C)CC1 1202503434 MWKGLHLQNVEVPB-UKRRQHHQSA-N 320.437 -0.486 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)Cc2cnn(C)c2)[C@H](C)C1 1206490731 SDPYNUZFDJGVPC-TZMCWYRMSA-N 319.409 -0.299 30 20 DBED N#CCSCC(=O)N1CCC[C@@H](N[C@@H]2CCC(=O)NC2=O)C1 1207410762 WLABCIVQQDQJPO-GHMZBOCLSA-N 324.406 -0.371 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)CNC(=O)C2CC2)C1 1207489006 ITBVCMPPBBHOQH-CYBMUJFWSA-N 322.409 -0.605 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCN(C(=O)c2ccnc(O)c2)C1 1207789167 FCWGFUYIXAOYKE-GFCCVEGCSA-N 317.349 -0.379 30 20 DBED C=CCOCCN[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 1209858370 YTFSCAYAHYRNAE-NEPJUHHUSA-N 324.381 -0.632 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)CCCCN(C)C)[C@H](C)C1 1210426613 JEXFYUNWKQKZQP-HUUCEWRRSA-N 322.453 -0.096 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)c2cccn2C)C1 1219189303 JXLKCALACHGWFF-SCRDCRAPSA-N 320.393 -0.509 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)CC[C@@H]2CCCO2)C1 1219232500 QDZIBXISKUTZEC-ZNMIVQPWSA-N 310.394 -0.243 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)c2[nH]ccc2C)C1 1219544075 ZGTZKNSKUPLXBL-UPJWGTAASA-N 320.393 -0.211 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@H](C)NC(=O)C2CCCC2)C1 1219682765 NQXVPRZRPFXTSV-YUTCNCBUSA-N 307.394 -0.524 30 20 DBED C=CCCCCCN1C[C@H](O)[C@H](NC(=O)c2nnn(C)n2)C1 1220159764 PKQJIFNVMLPLHC-NEPJUHHUSA-N 308.386 -0.269 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)C/C=C(\C)C=C)C1 1220169665 PPWRLQRACWUCTA-SAIHVBEPSA-N 319.405 -0.192 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)C2(NC(C)=O)CCCC2)C1 1220536413 CGRVMWZLVBVXDD-KGLIPLIRSA-N 307.394 -0.380 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)[C@H](C)COC)[C@@H]2C1 1221439548 ATJXWLOZKGOIKS-MGPQQGTHSA-N 307.394 -0.449 30 20 DBED COCC[C@H](C)C(=O)N1C[C@H]2CCN(CC(=O)NCC#N)C[C@H]21 1222033139 JFJAZWIYPGFWST-BFHYXJOUSA-N 322.409 -0.169 30 20 DBED COCC#CCN1CCC(CNC(=O)Cn2ncnn2)CC1 1223238421 BSOFGBUYNCRLKD-UHFFFAOYSA-N 306.370 -0.849 30 20 DBED N#CCN1CCC(CNC(=O)CCCN2C(=O)CNC2=O)CC1 1225372394 NVVWPVKDPUSNPF-UHFFFAOYSA-N 321.381 -0.330 30 20 DBED Cn1ccc(C(=O)NCC2CCN(CC(=O)NCC#N)CC2)n1 1225427492 QHFSMDLEQYENQP-UHFFFAOYSA-N 318.381 -0.498 30 20 DBED CCCC(=O)NCC(=O)NC1CCN(CC(=O)NCC#N)CC1 1226369256 LQCFNXZAWISALB-UHFFFAOYSA-N 323.397 -0.877 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)c2ccnnc2)CC1 1229330230 MTUDTJZNOUEMOF-UHFFFAOYSA-N 303.366 -0.027 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)c1cnccn1 1230636835 BEVYPFAYNYVWCB-GFCCVEGCSA-N 301.350 -0.628 30 20 DBED COCC#CC(=O)N1CCC[C@H](n2cc(C(=O)OC)nn2)C1 1261737743 WFRYWFAPYQNSNC-NSHDSACASA-N 306.322 -0.122 30 20 DBED COC(=O)NC(C)(C)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1318404527 UPYKVCCPHNMKMC-KHPPLWFESA-N 324.337 -0.236 30 20 DBED CC(=O)OC[C@@H](CO)NC(=O)C#Cc1ccc2c(c1)OCO2 1320905037 GDUVQDINNXIOGX-GFCCVEGCSA-N 305.286 -0.193 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)NCCCOCC(F)(F)F)CCO1 1323379520 VZJRDWKWWDQIFV-VIFPVBQESA-N 323.271 -0.177 30 20 DBED CN(C)[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCO[C@@H](C#N)C2)C1 1323532471 FRVRLWPUDONPEL-UPJWGTAASA-N 308.382 -0.274 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)NC[C@@H](C)COC 1325913054 BXZUFDZMTUJSRK-SNVBAGLBSA-N 306.384 -0.898 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N1CC[C@H]2NC(=O)CC[C@@H]2C1 1328192837 GRGIBELTFHROFV-ZIAGYGMSSA-N 315.373 -0.401 30 20 DBED C=CC1CCN(C(=O)C(=O)N2CCN3C(=O)NC[C@@H]3C2)CC1 1328485023 QZLZUJARABCHFO-GFCCVEGCSA-N 306.366 -0.353 30 20 DBED N#Cc1nc(NC(=O)CCN2C(=O)CCNC2=S)[nH]c1C#N 1328572958 RQVNLUCMFDIJKL-UHFFFAOYSA-N 317.334 -0.412 30 20 DBED CCS(=O)(=O)N[C@@H](C)C(=O)NC1(C#N)CCN(C)CC1 1330821149 AJVHEDGXWURLMO-JTQLQIEISA-N 302.400 -0.582 30 20 DBED C#CCN(C)c1nnc(CCN(C)S(N)(=O)=O)n1CC 1342684310 ZCHHCPNEHYRTGC-UHFFFAOYSA-N 300.388 -0.955 30 20 DBED COC(=O)C[C@H]1CCCN1C(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1345974679 YEYJGPNBDHQZQO-ABAIWWIYSA-N 323.349 -0.582 30 20 DBED CC(C)NC(=O)[C@@H](C#N)C(=O)C1CCN(S(C)(=O)=O)CC1 1347063840 OHNRKDQIIQGBIT-NSHDSACASA-N 315.395 -0.109 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N(C)CCCC(=O)NC 1349487784 YTDWVTIETDAVSK-GFCCVEGCSA-N 311.382 -0.484 30 20 DBED N#Cc1cn(CC(=O)N[C@@H]2CCCC23OCCO3)c(=O)nc1O 1362686731 JFBUGIFSRHIFSF-SNVBAGLBSA-N 320.305 -0.768 30 20 DBED CC[C@H](CNC(=O)NCCn1cc(C#N)c(O)nc1=O)OC 1365195814 QGUFSQFKMNBENI-SNVBAGLBSA-N 309.326 -0.455 30 20 DBED C[C@H](CNC(=O)c1ccc(=O)n(C)n1)CNC(=O)[C@H](C)C#N 1375765802 XVHYGBUXGDNLKQ-VHSXEESVSA-N 305.338 -0.578 30 20 DBED CC(C)N(C)C(=O)[C@@H](C)N1CC(O)(CNC(=O)[C@@H](C)C#N)C1 1376142531 MWMRXJMBAIUMKZ-NWDGAFQWSA-N 310.398 -0.436 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)CCCC(N)=O)C2)[nH]1 1385169748 BMBKCIHIILOFKS-LLVKDONJSA-N 317.349 -0.127 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C(=O)[C@H]1CN(C)CCO1)C1CC1 1388677601 BBWZXIBCGYMKAN-WCQYABFASA-N 308.382 -0.416 30 20 DBED CCNC(=O)NC(=O)[C@@H](C)N(C)CCN(C)C(=O)[C@@H](C)C#N 1406082569 XEDKNWCXOULTDM-WDEREUQCSA-N 311.386 -0.230 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](C)CN(C)C(=O)COCc1nncn1C 1427697000 NRDOYCGFUOSJRH-WDEREUQCSA-N 322.369 -0.546 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CN(C)C(=O)[C@H](C)NC(N)=O)CC1 1432125881 WBOZTTIRMBSODB-QWRGUYRKSA-N 323.397 -0.100 30 20 DBED CNC(=O)NCC(=O)NC[C@]1(C)CCCN(C(=O)[C@@H](C)C#N)C1 1434311507 SPPAYLXVCKGMEI-NHYWBVRUSA-N 323.397 -0.180 30 20 DBED C[C@@H](C#N)C(=O)NCCN1CCN(C(=O)[C@@H]2CCCN2C)CC1 1446925128 VCUXMXSMBBEBDQ-KBPBESRZSA-N 321.425 -0.499 30 20 DBED C[C@H](C#N)C(=O)NCCN1CCN(C(=O)c2cn(C)cn2)CC1 1453951643 WGPRXGDNXWRPQX-GFCCVEGCSA-N 318.381 -0.546 30 20 DBED CNC(=O)NCCC(=O)N[C@H](C)CNC(=O)c1cc(C#N)c[nH]1 1458122308 FSPZZICRGUZOKH-SECBINFHSA-N 320.353 -0.560 30 20 DBED C=CCNC(=O)CN1CCC[C@@H](NC(=O)C2(C(=O)NC)CC2)C1 1479911716 ORFCNXBIHHNXFB-GFCCVEGCSA-N 322.409 -0.605 30 20 DBED C[C@@H](C#N)C(=O)NCCN1CCN(C(=O)c2csnn2)CC1 1524094472 KRJZYOJFRPQIBQ-JTQLQIEISA-N 322.394 -0.428 30 20 DBED C[C@H](C#N)C(=O)NC[C@@](C)(NC(=O)Cn1ncnn1)C1CC1 1531724244 CDFCTTLAUFZWIA-NOZJJQNGSA-N 305.342 -0.766 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]2CCC(=O)N2)CC1 1531906728 SUXYPDLOTOOHGY-KKOKHZNYSA-N 306.366 -0.032 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)CN(C)C2CCC2)C1 1566664998 IJFPBAASUIEDPE-CYBMUJFWSA-N 308.426 -0.037 30 20 DBED Cn1cc(C(=O)N2CCNC[C@H]2C#N)c(=O)c2cnn(C)c21 1579958201 BQHGMBJBUQSJQB-SECBINFHSA-N 300.322 -0.790 30 20 DBED N#Cc1nc(NC[C@H](CO)[C@H]2CCOC2)cnc1-c1nn[nH]n1 1581880625 QIGIFTRXJGMOCX-DTWKUNHWSA-N 316.325 -0.415 30 20 DBED C#CC[C@@H](CO)NC(=O)COc1ccc(-c2nn[nH]n2)cc1 1588332355 ZGBLOLLBJRZGIR-NSHDSACASA-N 301.306 -0.254 30 20 DBED C#CCN(CC(=O)O)C(=O)NCCC1(CS(C)(=O)=O)CC1 1588408607 UYVWFPUSTLRZJO-UHFFFAOYSA-N 316.379 -0.069 30 20 DBED C=C(Cl)Cn1nnnc1N1CCO[C@@](COC)(C(=O)O)C1 1588445122 BEBBFQFPXRCYBH-NSHDSACASA-N 317.733 -0.268 30 20 DBED CN1CCC(C#N)(NC(=O)c2cccc(-c3nn[nH]n3)n2)CC1 1591169725 IXGYMIRQNHANLP-UHFFFAOYSA-N 312.337 -0.021 30 20 DBED CS(=O)(=O)NCCNc1c(C#N)cccc1-c1nn[nH]n1 1591679662 TVPOTMFTGLWLNL-UHFFFAOYSA-N 307.339 -0.301 30 20 DBED COC(=O)C1=NO[C@@]2(CCN(C(=O)[C@@](C)(C#N)CC(=O)O)C2)C1 1593815424 FOCKUTRYYGHWJA-KGLIPLIRSA-N 323.305 -0.089 30 20 DBED N#Cc1cccnc1NCCNC(=O)[C@H]1CC(C(=O)O)=NO1 1594631893 PZWQQFHQLRJCGR-SNVBAGLBSA-N 303.278 -0.289 30 20 DBED Cc1cc(C(=O)N2CCNC(=O)[C@H]2CC(=O)O)ncc1C#N 1600084435 JHZSCNBRXDFMLP-LLVKDONJSA-N 302.290 -0.323 30 20 DBED N#CCNC(=O)CNC(=O)N1CC[C@](C(=O)O)(C(F)(F)F)C1 1601074846 SRWJPGXHLKWDNG-JTQLQIEISA-N 322.243 -0.325 30 20 DBED O=C(CCN/C(O)=C1\N=CC=CC1=O)N[C@H]1C[C@@H](C(=O)O)C1 1601280025 UXBJEPVHIUPLDU-OJFKKTISSA-N 307.306 -0.118 30 20 DBED CC(C)(C)n1nnnc1Cn1c(N)nc(-c2nn[nH]n2)c1C#N 1609082907 LFDWCXMJLQPMOF-UHFFFAOYSA-N 314.317 -0.693 30 20 DBED N#CCCNCCS(=O)(=O)c1ccc(-c2nn[nH]n2)cn1 1609495650 ZOOQXDBBZXDPTI-UHFFFAOYSA-N 307.339 -0.461 30 20 DBED N#Cc1nc(N)n(Cc2cccc(C(N)=O)c2)c1-c1nn[nH]n1 1609500974 OOEZLMQSQDZOOW-UHFFFAOYSA-N 309.293 -0.336 30 20 DBED CN(CCC#N)S(=O)(=O)N1CC[C@@H](CS(C)(=O)=O)C1 1649813901 DJTQNWBFCAHWPP-SNVBAGLBSA-N 309.413 -0.557 30 20 DBED COCC#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)C1(C(N)=O)CC1 1752542435 KZJILQAGCLRBGX-BETUJISGSA-N 305.378 -0.423 30 20 DBED C=CCNC[C@H]1CCCN(C(=O)[C@@H](C)NS(C)(=O)=O)C1 1752808363 ZPWAQFXDRGRSBC-VXGBXAGGSA-N 303.428 -0.062 30 20 DBED C#CCCN[C@@H](C)CNC(=O)[C@@H](NS(C)(=O)=O)C(C)C 1752904715 XVWJTNLLAMYREK-RYUDHWBXSA-N 303.428 -0.322 30 20 DBED CC#CCN(C)CCNC(=O)C1(n2cnnn2)CCOCC1 1753065944 IXMOUMKQGNTEHJ-UHFFFAOYSA-N 306.370 -0.750 30 20 DBED C#CCNC(=O)CN1CC[C@H](CNC(=O)CC2(COC)CC2)C1 1753124721 LMCRTLZANXAUHG-CQSZACIVSA-N 321.421 -0.009 30 20 DBED CCS(=O)(=O)CC(=O)N(C)[C@H]1CCN(CC#CCOC)C1 1753450173 NTJANUKDMHZJBJ-ZDUSSCGKSA-N 316.423 -0.396 30 20 DBED C=CCN[C@H]1CC[C@H](NC(=O)CNS(=O)(=O)N(C)C)CC1 1753585018 QWYOEADGPYWBSB-HAQNSBGRSA-N 318.443 -0.415 30 20 DBED COCC#CCNC[C@H](O)CNC(=O)[C@H]1CN2CCC1CC2 1753911022 IUUGPSQSHHIIOD-GJZGRUSLSA-N 309.410 -0.955 30 20 DBED C#CCNC(=O)CNC[C@H](O)CNC(=O)c1ncoc1C(C)C 1753934346 VLQCQIICTKCGEN-NSHDSACASA-N 322.365 -0.772 30 20 DBED CCN1CCCC[C@@H]1C(=O)NC[C@@H]1CCN1CC(=O)NCC#N 1754504051 CHHIJVFFMCLFNU-UONOGXRCSA-N 321.425 -0.309 30 20 DBED COc1cccnc1CC(=O)NC[C@]1(O)CCN(CC#N)C1 1754753890 DXKGAMGNQIIDKX-OAHLLOKOSA-N 304.350 -0.291 30 20 DBED C=CCNC(=O)CN1CC(O)(CNC(=O)c2cc[nH]c2CC)C1 1754767153 HCNFCYVSVGZBGX-UHFFFAOYSA-N 320.393 -0.344 30 20 DBED COCC#CCN[C@@H](C)[C@@H]1CN(C(=O)c2cnon2)CCO1 1755459169 HHJKXHPHTBOFAQ-AAEUAGOBSA-N 308.338 -0.462 30 20 DBED CCn1cc(CN[C@@H](CO)CNC(=O)C#CC(C)(C)C)nn1 1755627617 JGWUZRHJRLRWJN-CYBMUJFWSA-N 307.398 -0.086 30 20 DBED COCC#CCN[C@H](CO)CNC(=O)[C@H]1CCN(C)[C@@H](C)C1 1755637419 ZQLBYTRFGACXHL-KKUMJFAQSA-N 311.426 -0.567 30 20 DBED CCC[C@H](C(=O)N1C[C@H](NCC#N)C(C)(C)C1)S(N)(=O)=O 1755760714 SLHLKJNHODBVLP-MNOVXSKESA-N 316.427 -0.206 30 20 DBED C[C@@H](CC(=O)NCC1=CCN(C(=O)[C@H](C)C#N)CC1)NC(N)=O 1756769638 IRWNEUSXOJFKQM-MNOVXSKESA-N 321.381 -0.132 30 20 DBED C=CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ncn(C)n1)CCO2 1783916389 AIYZLGKIFSPZAV-HNNXBMFYSA-N 319.365 -0.165 30 20 DBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)COC)C2)C1 1839806160 CYJARSSLTRENEK-BBRMVZONSA-N 324.377 -0.642 30 20 DBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccno3)C2)C1 1839807130 UKNFIZRUMFWCOM-OAHLLOKOSA-N 319.317 -0.622 30 20 DBED C=C(C)CNC(=S)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 36846234 YIBWSUXZJPKVFJ-SNVBAGLBSA-N 319.452 -0.280 30 20 DBED N#CCCN(CCN1CCOCC1)CC(=O)NC1CCOCC1 81158394 QAVCYZFADWXRDP-UHFFFAOYSA-N 324.425 -0.171 30 20 DBED C#CC[C@H](NC(=O)[C@@H]1CCCCN1S(C)(=O)=O)C(=O)O 149967626 RFOXYKIZQGDNAV-UWVGGRQHSA-N 302.352 -0.607 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)COCC)c1=O 186237806 XIIWZXHYZVLHBI-UHFFFAOYSA-N 309.322 -0.851 30 20 DBED C#CCOc1cc(F)ccc1NC(=O)C(=O)NCCOCCO 266656489 OBGFNAAGJSTEBG-UHFFFAOYSA-N 324.308 -0.099 30 20 DBED C=C[C@H](CO)NC(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C 290334196 HUBQNBUEUNDQIH-MRVPVSSYSA-N 319.321 -0.699 30 20 DBED C=CCCN(C)C(=O)C(=O)N1CCN(c2cnn(C)c2)C(=O)C1 297613539 CCLHGTNUAAQMEY-UHFFFAOYSA-N 319.365 -0.370 30 20 DBED CC[C@H](C)[C@H](NC(=O)Cn1c(N)nc(C#N)c1C#N)C(=O)OC 298196929 AKUAROQSJUZOHT-UFBFGSQYSA-N 318.337 -0.087 30 20 DBED CCN1CCOC[C@@H]1/C(O)=N/CCN1CCN(C(C)=O)CC1 329073311 OTNWUNGLPHSTNZ-CQSZACIVSA-N 312.414 -0.172 30 20 DBED CN1CCC(O)(CN/C(O)=N/CCN2CCSCC2)CC1 329570455 MHHLRYZABQILET-UHFFFAOYSA-N 316.471 -0.005 30 20 DBED Cc1cc(CN2CCN(/C(O)=N/Cc3nnn(C)n3)CC2)no1 330302460 JLVNTKRRODMFJF-UHFFFAOYSA-N 320.357 -0.262 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N[C@H](C)CCS(C)(=O)=O 332496364 GYNOINBONZHUHL-ZJUUUORDSA-N 311.429 -0.122 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@@H]1CCCC(=O)N1 337165426 YQKLWFOOMGDGSZ-QWRGUYRKSA-N 302.400 -0.029 30 20 DBED N#Cc1ccc(SCC(=O)N(CC(N)=O)CC(N)=O)cc1 354482100 TXTLYLNHKFOBHE-UHFFFAOYSA-N 306.347 -0.550 30 20 DBED C=CCNc1nnc(S(=O)(=O)CC(=O)NC2CC2)s1 358708315 WLZZAEKGYWEGFV-UHFFFAOYSA-N 302.381 0.188 30 20 DBED CN(C)C(=O)COC1CN(S(=O)(=O)CC2(C#N)CC2)C1 361809023 GZRPOKVBDKFPOC-UHFFFAOYSA-N 301.368 -0.591 30 20 DBED C#CCN(CC(=O)O)C(=O)c1c(Br)nnn1C 383895201 MOSFKOZDHIFHSG-UHFFFAOYSA-N 301.100 -0.262 30 20 DBED C=CCCn1cc(C(=O)N2CCN(CC(=O)NCC)CC2)nn1 424576519 ZHCBIYUYTTZNNX-UHFFFAOYSA-N 320.397 -0.252 30 20 DBED C=CCNC(=O)NC(=O)CNC1(CC(=O)OC)CCOCC1 489994696 PMZSVYNBBVENNT-UHFFFAOYSA-N 313.354 -0.300 30 20 DBED C#C[C@H](CC)NC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 491774839 CVTAJFPHPVBARN-SECBINFHSA-N 300.318 -0.226 30 20 DBED N#Cc1ccc(OCC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1 519183677 UMJCSGWXFJPORU-GXTWGEPZSA-N 314.345 -0.293 30 20 DBED CNS(=O)(=O)[C@@H]1CCN([C@@H](C)C(=O)NC2(C#N)CCC2)C1 527048381 WQPFJKJVHGOBQM-WDEREUQCSA-N 314.411 -0.439 30 20 DBED N#C[C@]1(NC(=O)CNC(=O)c2ccc3c(c2)OCO3)CCOC1 547813146 GUFFCCDEJUNPTH-OAHLLOKOSA-N 317.301 -0.056 30 20 DBED C=CC[C@H](CC)NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 563454945 QNULBHJFPQLYRZ-TUAOUCFPSA-N 308.382 -0.772 30 20 DBED CN(C)S(=O)(=O)N1CCCC[C@H]1CN=c1nc[nH]cc1C#N 567747838 ZHICUQQVPFWMPX-LBPRGKRZSA-N 324.410 -0.157 30 20 DBED N#CCC1(O)CN(C(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)C1 569758752 QVHJLJMHYGGKNC-QWRGUYRKSA-N 305.334 -0.351 30 20 DBED CN(C)C[C@](C)(C#N)NC(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O 593153244 GYOAMMDGDBCIMZ-OZVIIMIRSA-N 318.377 -0.102 30 20 DBED N#CCNC(=O)CNC(=O)N(CCN1CCOCC1)CC1CC1 596599233 PTADOJSOFWDLDI-UHFFFAOYSA-N 323.397 -0.620 30 20 DBED N#Cc1sccc1N1CCN(C(=O)[C@H](CO)NC(N)=O)CC1 597936128 LTQNYAGOCMVMNE-VIFPVBQESA-N 323.378 -0.702 30 20 DBED COc1ccc(C#N)cc1NC(=O)C(=O)N(C)CCOCCN 599900145 KTZDEWZJTZHFNN-UHFFFAOYSA-N 320.349 -0.061 30 20 DBED COCC(=O)N[C@H](C(=O)N1CCN(CCC#N)CC1)C(C)C 602208829 UCNFHSLDMPGWGB-AWEZNQCLSA-N 310.398 -0.169 30 20 DBED N#CCc1ccccc1S(=O)(=O)N1CCO[C@H](C(N)=O)C1 619572567 KEDITIKYOFOSKI-NSHDSACASA-N 309.347 -0.373 30 20 DBED C=CC[C@H](CO)CNC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 626361997 YFNHJHXSDFWZDD-RYUDHWBXSA-N 304.412 -0.041 30 20 DBED CC#CC[C@@H](CO)NC(=O)NCCS(=O)(=O)NC(C)C 645226850 PYMCRUBRUHXPTL-NSHDSACASA-N 305.400 -0.612 30 20 DBED Cn1ccc(C(=O)NCC#CCNC(=O)c2ccn(C)n2)n1 681340270 DMANBAGEXXQKGA-UHFFFAOYSA-N 300.322 -0.683 30 20 DBED C#CCCN1CCC(NC(=O)c2cn(C)c(=O)n(C)c2=O)CC1 743493209 JNQJJQSRRKDDGM-UHFFFAOYSA-N 318.377 -0.699 30 20 DBED C[C@@H](O)[C@H](NC(=O)C(C)(C)C)C(=O)OCC(=O)NCCC#N 745703021 NOWMDQSHPQGIBW-KOLCDFICSA-N 313.354 -0.529 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)c1ccc(C(N)=O)cn1 748893125 RCHKQLGRDRROPV-UHFFFAOYSA-N 306.278 -0.651 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)C[C@@H](O)CCC)CC1 750301837 OTGXYBCDCMMHPK-AWEZNQCLSA-N 309.410 -0.179 30 20 DBED C#CCNS(=O)(=O)N1CCN(C[C@@H]2CCCOC2)CC1 761035653 BPGZZNSMJIBVCC-ZDUSSCGKSA-N 301.412 -0.502 30 20 DBED C#C[C@H](NC(=O)NCCN1CCCS1(=O)=O)[C@@H]1CCCO1 773258067 BGYPZRAAZZHGPJ-RYUDHWBXSA-N 315.395 -0.498 30 20 DBED C[C@H](NS(C)(=O)=O)C(=O)OCC(=O)NC1(C#N)CCC1 784247619 VUNMMIUULMBOAF-QMMMGPOBSA-N 303.340 -0.970 30 20 DBED C#CCC[C@@H](O)CNC(=O)NC[C@H](C)CN1CCN(C)CC1 798424175 ATPOORUUWHLNFZ-LSDHHAIUSA-N 310.442 -0.057 30 20 DBED C#CCC[C@H](O)CNC(=O)Cc1ccc(S(N)(=O)=O)s1 799083705 KFBNVQIZWVVBLP-VIFPVBQESA-N 316.404 -0.172 30 20 DBED CON(CC1CCOCC1)S(=O)(=O)N1CCO[C@H](C#N)C1 800981403 PASROZSUKJHIKD-GFCCVEGCSA-N 319.383 -0.254 30 20 DBED C#CCCS(=O)(=O)NCCCN1CCC[C@H](C(N)=O)C1 808288705 WYZDIXWHBBLGSC-LBPRGKRZSA-N 301.412 -0.484 30 20 DBED CN1CC[C@H](C(=O)NS(=O)(=O)c2cncc(C#N)c2)C1=O 813979824 FMTFNGYOPTZUGI-SNVBAGLBSA-N 308.319 -0.764 30 20 DBED O=C(Cc1ccccc1)NCC(=O)N[C@H]1CCCN(O)C1=O 816755197 VAMJWXUKUYNHLN-LBPRGKRZSA-N 305.334 -0.158 30 20 DBED N#CCCS(=O)(=O)NC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 821584329 YUQLMKMVRBIXBX-LLVKDONJSA-N 313.379 -0.005 30 20 DBED C/N=C(/NCCS(=O)(=O)NC[C@@H]1CCCCO1)NC1CC1 849008196 XOZJVZZRWLTPJY-LBPRGKRZSA-N 318.443 -0.198 30 20 DBED C[C@@H](O)C1(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 856130042 APKZZVZAUVLPOC-SECBINFHSA-N 323.374 -0.245 30 20 DBED C#CCNC(=O)CCN1C[C@H](C(=O)OC)CC[C@@H]1C(=O)OC 859600214 CCVJCCPMCQPUDQ-VXGBXAGGSA-N 310.350 -0.448 30 20 DBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@H]1CO 889127557 GQRWLXXWYMJTIG-VIFPVBQESA-N 309.347 -0.682 30 20 DBED C#CCSCC(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)OCC 890277025 GTKHNGZCTDJUDB-NXEZZACHSA-N 300.380 -0.075 30 20 DBED C#CCN1CCN(C(=O)Cn2cc(C)c(C(=O)OC)n2)CC1 902600884 UUXWCZDYUAWYDL-UHFFFAOYSA-N 304.350 -0.244 30 20 DBED CC(C)(C(N)=O)C(=O)N1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 937841084 GRRPLNAUKJRZAF-JTQLQIEISA-N 317.349 -0.271 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2cn[nH]c2)C1 939530732 KRPUIAGVBAXGQX-KGLIPLIRSA-N 315.377 -0.162 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)CN2CCNC(=O)C2)[C@H](C)C1 942560849 XYHWAIASWUMFIE-ZIAGYGMSSA-N 308.426 -0.179 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CN2CCN(C)C(=O)C2)C[C@@H]1C 947463793 MDQCKMFGLPOUDU-LSDHHAIUSA-N 320.437 -0.247 30 20 DBED C[C@H](C#N)C(=O)N1CCC(NC(=O)CN2CCCNC2=O)CC1 948098269 CKHNDRWQINRFQF-LLVKDONJSA-N 321.381 -0.331 30 20 DBED CN1C[C@@H](C(=O)N[C@H]2CCCN(C(=O)C#CC3CC3)C2)NC1=O 950761751 NEIWPLDOZAWOMP-STQMWFEESA-N 318.377 -0.469 30 20 DBED CNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)c3ccc(C#N)[nH]3)[C@@H]2C1 958590046 KCENHHKEGAGWFF-JMJZKYOTSA-N 301.350 -0.319 30 20 DBED CN(C(=O)[C@@]12COC[C@@H]1C2)[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 958865100 LEWNRKMSXCDGKE-WSMBLCCSSA-N 318.373 -0.534 30 20 DBED C=CCCN1C[C@H]2[C@H](NC(=O)CN3CCN(C)C(=O)C3)[C@H]2C1 960627674 CAHNYUMQOYPJCC-VIKVFOODSA-N 306.410 -0.617 30 20 DBED O=C(CN1CCCC1)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 963471761 BWODWPYJZFVEKI-KGLIPLIRSA-N 305.378 -0.817 30 20 DBED CCn1ccc(CC(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)n1 964762330 RWEXMSHWOULHAW-RTXFEEFZSA-N 319.365 -0.707 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](C)[C@@H](NC(=O)Cn2cnnn2)C1 966660590 GAJCOJTYEBIDGF-MNOVXSKESA-N 306.370 -0.152 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)c2n[nH]c3c2CCC3)C1 968690325 JMMLCGJCBOONCI-FXAINCCUSA-N 317.349 -0.640 30 20 DBED C=CCn1cc(C(=O)N[C@H](C)C2CN([C@@H](C)C(=O)NC)C2)nn1 970544564 NYWBVFYKUFFIRW-MNOVXSKESA-N 320.397 -0.351 30 20 DBED C[C@@H]1CCN(CC(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2O)C1 970643587 OJFPDTIYMREEPN-YUELXQCFSA-N 319.405 -0.571 30 20 DBED C=CCCN1CCO[C@@]2(CCN(C(=O)CS(C)(=O)=O)C2)C1 972285575 OOGHTCATNOKFSC-AWEZNQCLSA-N 316.423 -0.090 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@@]2(CN(CC#N)CCO2)C1 972416997 PLPFGEMRLMOMQW-DOTOQJQBSA-N 316.405 -0.089 30 20 DBED COc1cnc(C(=O)N[C@H]2[C@@H]3CN(C(=O)[C@@H](C)C#N)C[C@@H]32)nc1 976896449 USLSJSUTIILHKT-OHBODLIOSA-N 315.333 -0.169 30 20 DBED C#CCN[C@@H]1CCN(C(=O)c2ccc(=O)n(CCOC)n2)[C@@H]1C 986519155 XOOTVGPIEUIRIR-CHWSQXEVSA-N 318.377 -0.285 30 20 DBED O=C(N[C@H]1CCN(C(=O)C#CC2CC2)C[C@H]1O)c1n[nH]cc1F 991759212 SSAHJCBBCPVDQT-NWDGAFQWSA-N 320.324 -0.346 30 20 DBED C=CCN[C@H]1CN(C(=O)CN2CCN(C)C(=O)C2)CC1(C)C 995980057 NZLICONTFRXVFT-ZDUSSCGKSA-N 308.426 -0.227 30 20 DBED N#CCNC1CCN(C(=O)[C@@H]2Cc3cncn3C(=O)N2)CC1 996824866 HIFXEFLEVFOKRF-LBPRGKRZSA-N 302.338 -0.530 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(NC(=O)c2nc[nH]n2)C1 997817837 RUFPXPGIUSSHAW-MNOVXSKESA-N 305.338 -0.274 30 20 DBED N#Cc1ccc(C(=O)N2CC(NC(=O)[C@@]3(F)CCOC3)C2)[nH]1 998133849 FSMKVWVAZPMVBB-CQSZACIVSA-N 306.297 -0.044 30 20 DBED C=CCN[C@@H]1CCCN(C(=O)c2c[nH]nc2S(N)(=O)=O)C1 1000147044 CQVZFYYVDMFSEK-SECBINFHSA-N 313.383 -0.563 30 20 DBED N#Cc1ccc(C(=O)N2CC(CNC(=O)[C@H]3CCC(=O)N3)C2)[nH]1 1001205233 YSOBQYNKGDPAKX-LLVKDONJSA-N 315.333 -0.647 30 20 DBED N#Cc1cc(C(=O)N2CC(CNC(=O)[C@H]3C[C@H]3C(N)=O)C2)c[nH]1 1004463507 VQRYWRNDPAIUCG-NEPJUHHUSA-N 315.333 -0.804 30 20 DBED C[C@H](c1nnnn1C)N1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 1010642677 JIGDCUQROJOZOJ-KOLCDFICSA-N 314.353 -0.025 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@@H]2CC[C@H](NC(=O)C(N)=O)C2)c1 1015556257 XSKQCWDRXBGIDU-SCZZXKLOSA-N 303.322 -0.614 30 20 DBED C#CCN1CCC2(CC1)C[C@@H]2NC(=O)c1ccc(=O)n(C)n1 1016961264 NJBTUCOHWHOXHL-ZDUSSCGKSA-N 300.362 -0.002 30 20 DBED N#Cc1cc(C(=O)N2CC[C@H](N[C@@H]3CCCNC3=O)C2)c[nH]1 1018738014 NBENYFWNTGDWKU-WCQYABFASA-N 301.350 -0.031 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc[nH]n2)C[C@H]1O 1025709641 SRIVAKXVZTYGIY-JHEVNIALSA-N 320.349 -0.698 30 20 DBED C#Cc1ccc(C(=O)N2C[C@@H]3CC[C@@H](NCC(N)=O)[C@H]3C2)cn1 1026402127 HNQDUERWAIXHEW-AEGPPILISA-N 312.373 -0.012 30 20 DBED Cc1nn(CC(=O)N2C[C@@H]3[C@@H](CC[C@H]3NCC#N)C2)c(=O)n1C 1026408317 CWZYEYSKJUSPEE-YNEHKIRRSA-N 318.381 -0.760 30 20 DBED C#CCCN1[C@H]2CC[C@H]1CN(C(=O)CN1CCNC(=O)C1)C2 1029420056 QUPFRUHKGXVXJX-KBPBESRZSA-N 304.394 -0.883 30 20 DBED C#CCCN1[C@H]2CC[C@H]1CN(C(=O)c1cn(CC(N)=O)nn1)C2 1029597475 UEYZGVKHSLJXGU-RYUDHWBXSA-N 316.365 -0.925 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2[C@H](C)C(N)=O 1032453654 IMOOWRADRWDCLE-RFGFWPKPSA-N 304.394 -0.757 30 20 DBED C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)c1cn(C)c(=O)nc1O 1032779466 ATCKMEJPCYWTQQ-QWRGUYRKSA-N 304.350 -0.039 30 20 DBED CC(C)C#CC(=O)NC[C@@]1(O)CCN(C(=O)Cn2cccn2)C1 1039664396 PJAGSTSEMNQHSX-INIZCTEOSA-N 318.377 -0.378 30 20 DBED C[C@H]1CN(C(=O)C(N)=O)CC[C@@H]1CN=c1cc[nH]c(C#N)n1 1040441261 JAMCCPXNEZTPQH-VHSXEESVSA-N 302.338 -0.848 30 20 DBED C=CCOCC(=O)N1CC[C@@](O)(CNC(=O)c2conc2C)C1 1040756451 WAMDAHUVJMJFAK-OAHLLOKOSA-N 323.349 -0.121 30 20 DBED Cc1cnc(C(=O)NCC2(O)CN(C(=O)[C@H](C)C#N)C2)cn1 1041279312 AOCZGLCQNOBXBZ-SECBINFHSA-N 303.322 -0.752 30 20 DBED C=CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)c2cc[nH]n2)C1 1041608214 APQSUTKUDNNJAM-SNVBAGLBSA-N 308.338 -0.696 30 20 DBED CCO[C@H]1C[C@@H]1C(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1041691993 VLFSQTDWDQMITN-STQMWFEESA-N 306.362 -0.486 30 20 DBED CO[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1NC(=O)c1cnon1 1042876683 HYAPSIIBUIJIRQ-NXEZZACHSA-N 315.293 -0.635 30 20 DBED C=C(C)CCC(=O)NCC1(O)CN(C(=O)c2cnnn2C)C1 1043310083 CDZXSLONRIWNPR-UHFFFAOYSA-N 307.354 -0.526 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)Cc3cnoc3)C2)nn1 1044411553 ZFJFMBDTTKMOOC-NEPJUHHUSA-N 314.305 -0.755 30 20 DBED CCOc1cc(C(=O)N2CC(O)(CNC(=O)[C@H](C)C#N)C2)on1 1045560129 SUGLBLDEENJUOR-SECBINFHSA-N 322.321 -0.464 30 20 DBED C#Cc1cncc(C(=O)NCC2(O)CN(C(=O)[C@@H](C)OC)C2)c1 1046332152 LDRROASJNUDJKO-LLVKDONJSA-N 317.345 -0.599 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)CCCCC(N)=O)C1 1046614225 ZNAWZPZYHMEEQI-UHFFFAOYSA-N 323.393 -0.475 30 20 DBED COc1c(O)nc(O)nc1C(=O)N[C@@]1(C)CCN(CC#N)C1 1046772190 RKIXQBMGJDBLFC-ZDUSSCGKSA-N 307.310 -0.386 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccnc3ccnn23)C1 1047407656 NHJCILXXVYHNLJ-KBPBESRZSA-N 313.361 -0.130 30 20 DBED C#CCOCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C(C)(C)F)C1 1048011000 OHTMPMLSPHAVLU-RYUDHWBXSA-N 314.357 -0.196 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)c1ccoc1CC(N)=O 1051083358 FYMDZNZBHXGZBB-LLVKDONJSA-N 305.334 -0.629 30 20 DBED CN(C)Cc1cc(C(=O)N[C@@H]2COC3(C2)CN(CC#N)C3)no1 1053853933 QLWLEAOVWQLQAL-NSHDSACASA-N 319.365 -0.167 30 20 DBED C=C(C)CCC(=O)N[C@@]1(CO)CCCN(C(=O)CC(N)=O)C1 1055973055 RIOYFYQYWBPDPK-HNNXBMFYSA-N 311.382 -0.312 30 20 DBED CN1C(=O)CC[C@H]1C(=O)N1CCN(c2cnc(C#N)cn2)CC1 1055977918 FJHSVMLJDHTUJO-LBPRGKRZSA-N 314.349 -0.382 30 20 DBED Cn1cc(CC(=O)NC2[C@H]3CN(c4ccnc(C#N)n4)C[C@H]23)cn1 1056147967 TYVHRAKAKMMBDS-RYUDHWBXSA-N 323.360 -0.125 30 20 DBED Cc1nc(N[C@@H]2CCN(C(=O)Cn3cnnn3)C2)ccc1C#N 1056579548 HEUOYTOKDAEWPW-GFCCVEGCSA-N 312.337 -0.039 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCN(CCO)C(=O)/C(C)=C\C 1057311146 OIWLLNSCACMUQB-AGKVCYSUSA-N 321.421 -0.013 30 20 DBED C#CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)c1ccn(C)c1 1057344030 KHKMFKXQZMVPQK-ZDUSSCGKSA-N 321.377 -0.386 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)C[C@](C)(O)C1CC1 1057375920 ASMLBIXEQORRCL-NHYWBVRUSA-N 311.382 -0.366 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)Cn1ccnc1C 1057643987 SVCOJLPAYWZUMV-UHFFFAOYSA-N 320.393 -0.068 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)CN(C)C(C)C 1057863227 JYTNJWPPOJMKFU-UHFFFAOYSA-N 311.426 -0.077 30 20 DBED N#Cc1ccc(N2CCC[C@H](NC(=O)Cn3ncnn3)C2)cn1 1058197123 PBMHWDMOQKBCRZ-LBPRGKRZSA-N 312.337 -0.275 30 20 DBED N#Cc1cncc(N[C@H]2CCN(C(=O)C[C@H]3CCNC3=O)C2)n1 1058983222 YDCCENXXZUUSFO-MNOVXSKESA-N 314.349 -0.113 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H]1COCCN1C(=O)c1ccon1 1061584566 JQEMACZNWZERIN-NEPJUHHUSA-N 321.333 -0.330 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)CNC(=O)C1CC1 1061845548 IYZLGUCROQWUAR-JQWIXIFHSA-N 322.365 -0.984 30 20 DBED CCn1ncc(C(=O)N2CCOC[C@@H]2CNC(=O)[C@H](C)C#N)n1 1061847667 MINYQMYZTHDVPP-MNOVXSKESA-N 320.353 -0.585 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)Cc1cncn1C 1061847943 NZJRXPHQCDAYKA-AAEUAGOBSA-N 319.365 -0.534 30 20 DBED C=CCn1cc(C(=O)NC2(CNC(=O)COC)CCC2)nn1 1062398497 YHXQOLJAXXTPDA-UHFFFAOYSA-N 307.354 -0.121 30 20 DBED N#CCSCC(=O)NCC1(NC(=O)c2cnn[nH]2)CCC1 1062579558 QORBYKFHUKHODE-UHFFFAOYSA-N 308.367 -0.170 30 20 DBED N#CCSCC(=O)NC[C@H]1CN(C(=O)c2cc[nH]n2)CCO1 1064887891 QETUIFZYZMFKSC-JTQLQIEISA-N 323.378 -0.376 30 20 DBED C=CCCC(=O)N1CCO[C@H](CNC(=O)[C@H]2CCN(C)C2=O)C1 1064960596 ZPYCTFCGQFMQDU-CHWSQXEVSA-N 323.393 -0.226 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2n[nH]cc2C)CCO1 1065133446 VPZSZWCLRALYIG-LBPRGKRZSA-N 322.365 -0.122 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@H](NC(=O)[C@@H](C)C#N)CC1 1066476118 VQTVKWXTNQOUKI-STQMWFEESA-N 318.377 -0.217 30 20 DBED N#Cc1c[nH]ccc1=NCC1CC(NC(=O)Cn2nccn2)C1 1067868495 JHAHDUCKHSOHCI-UHFFFAOYSA-N 311.349 -0.026 30 20 DBED Cn1ncc(C(=O)NCC2[C@@H]3CN(c4cnc(C#N)cn4)C[C@@H]23)n1 1068178514 ZMCZXRCMDNAEKJ-RYUDHWBXSA-N 324.348 -0.411 30 20 DBED N#CCN1CCn2ncc(CNC(=O)c3nccnc3N)c2C1 1069856254 MUUYZQXJLCHVRK-UHFFFAOYSA-N 312.337 -0.476 30 20 DBED N#CCN1CC[C@@H](c2n[nH]cc2CNC(=O)c2nc[nH]n2)C1 1070429414 FVZHGTCFEQSWQI-SECBINFHSA-N 300.326 -0.229 30 20 DBED C=CCCC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 1070739192 MFFOJXLAPMIQQV-MNOVXSKESA-N 322.365 -0.342 30 20 DBED CC#CCN1C[C@H]2C[C@@H]3CN(C(=O)C(C)(C)C(N)=O)C[C@@]3(C1)O2 1070812882 BFNKPQSEQJEUNK-PBFPGSCMSA-N 319.405 -0.177 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)[C@@H]2C[C@@H]2OCC)CC1 1070940479 IGUKYQKYTZDCIA-KGLIPLIRSA-N 307.394 -0.305 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)[C@H]2C[C@@H](C)CO2)CC1 1070980927 AWYUQSZZCIAQHS-ZIAGYGMSSA-N 307.394 -0.305 30 20 DBED C=CCOCC(=O)N1C[C@H](C)[C@H](NC(=O)COCCOC)C1 1071807985 DFTMUDXGACVULH-QWHCGFSZSA-N 314.382 -0.185 30 20 DBED C#CCCCC(=O)N[C@H]1CN(C(=O)CC(=O)NCC#C)C[C@@H]1C 1071935319 ADVNJUIAPMWZCE-KBPBESRZSA-N 317.389 -0.108 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](NC(=O)CCN(C)C)[C@H](C)C1 1071936707 SFOAJSXOKYGVHE-CHWSQXEVSA-N 322.409 -0.959 30 20 DBED Cn1c(C(=O)N2CC[C@@H]3OCCN(CC#N)[C@@H]3C2)cnc1O 1074311902 DXMKWWNBXVGJAR-NEPJUHHUSA-N 305.338 -0.435 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@H]3OCCN(CCO)[C@@H]3C2)nc1 1074385030 QBXRZQLVNPEULM-HZPDHXFCSA-N 315.373 -0.030 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)c3cnn(C)c3OC)C[C@@H]21 1074392215 GQQDQNJURWIMRI-KBPBESRZSA-N 318.377 -0.023 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CCN(C(=O)c2ccn(C)n2)CC1 1074593157 IVPWDECJCJRDTJ-LLVKDONJSA-N 319.365 -0.337 30 20 DBED C[C@@H](CCNC(=O)c1cn(C)c(=O)nc1O)NC(=O)[C@H](C)C#N 1076579090 IPNOQPIELNVVQN-BDAKNGLRSA-N 321.337 -0.730 30 20 DBED C=CCN1CC[C@H](N2C[C@@H](O)[C@H](NC(=O)C(F)F)C2)C1=O 1076659710 FRDVAWQYPDNQGO-KXUCPTDWSA-N 303.309 -0.800 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H](C)CCNC(=O)c1cnnc(O)c1 1076984230 CMJALGMHJTURPF-WDEREUQCSA-N 320.349 -0.155 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)C1 1077046241 IJRTWEXZNOHMDC-RRFJBIMHSA-N 319.405 -0.571 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN2c2ncccn2)C1 1077164278 KSDWJZNUFPUKFF-HZSPNIEDSA-N 317.393 -0.207 30 20 DBED C=CCCn1cc(C(=O)N[C@@H]2CN(CCOC)C[C@H]2O)nn1 1077812461 GKZHNKOJJKGAJG-DGCLKSJQSA-N 309.370 -0.725 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2COc3ccccc3O2)C1 1078123080 BWINPQIWZSGGDA-LALPHHSUSA-N 302.330 -0.379 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@@H]1CCCN(C(=O)c2nnn(C)n2)CC1 1079058586 GREROGRDRGXCQB-GHMZBOCLSA-N 319.369 -0.177 30 20 DBED C#CCNC(=O)CC(=O)N1CC(N(CC)C(=O)C(C)(F)F)C1 1079204483 VQFBGMVTBQTHNT-UHFFFAOYSA-N 315.320 -0.160 30 20 DBED CC(=O)NCC(=O)N1CCC(CO)(NC(=O)C#CC2CC2)CC1 1080852891 AFRKRKGHROYWQZ-UHFFFAOYSA-N 321.377 -0.994 30 20 DBED Cc1c[nH]c(C(=O)N2CCC(CO)(NC(=O)[C@H](C)C#N)CC2)n1 1080983275 JRFFKDINQLOVPI-SNVBAGLBSA-N 319.365 -0.039 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2ncc[nH]2)C1 1081454853 FQCKGNCZMOSVPE-NWDGAFQWSA-N 304.350 -0.382 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)c2cnns2)C[C@H]1O 1081463770 RUIVGHRZHNBDFA-WDEREUQCSA-N 322.390 -0.253 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@H](CNC(=O)CC(=O)N(C)C)C1 1081496972 QXAZTZIPQJQBSB-NEPJUHHUSA-N 311.382 -0.634 30 20 DBED C=CCC(C)(C)C(=O)N1C[C@H](CNC(=O)c2nc[nH]n2)[C@@H](O)C1 1081652713 FFULWHULOPIBQA-QWRGUYRKSA-N 321.381 -0.044 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@H]2CCc3n[nH]cc3C2)[C@H](OC)C1 1082324391 MIUKZIYSNSDANR-NILFDRSVSA-N 302.378 -0.037 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CC(=O)N(C(C)C)C1 1083096660 QWRMXXHOUHWNOI-SOUVJXGZSA-N 319.405 -0.212 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN(Cc3nncn3C)C[C@@H]2O)C1 1083756561 ZTRABUQFTYMQFV-NEPJUHHUSA-N 305.382 -0.167 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)c2ncn(C(C)(C)C)n2)C1 1083778647 SUZNMDUTPFIZII-NEPJUHHUSA-N 305.382 -0.169 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)c2ccccc2-n2cnnn2)C1 1084047077 ZQDTTXDXGKSLIQ-OCCSQVGLSA-N 314.349 -0.377 30 20 DBED C#CCCN1CC[C@H]1CN(C)C(=O)[C@H]1CCN(C)S1(=O)=O 1085868582 UGSLFTASHMCQPN-QWHCGFSZSA-N 313.423 -0.424 30 20 DBED N#CCN1CC[C@@H]2CN(C(=O)c3nccnc3C(N)=O)C[C@@H]2C1 1088194699 RVZAFVATLOWZQS-MNOVXSKESA-N 314.349 -0.507 30 20 DBED CCN(c1ccc(C#N)nn1)[C@H](C)CNC(=O)CNC(C)=O 1089580302 KTXYYGZVYCWQID-SNVBAGLBSA-N 304.354 -0.185 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2ccnn2CCOC)[C@H](O)C1 1090348843 GIAVUOMGNFMUFB-UKRRQHHQSA-N 320.393 -0.282 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1O 1090408517 TVXOZPOYQXXYQW-LALPHHSUSA-N 317.349 -0.659 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)c2ccc3nnnn3c2)[C@@H](O)C1 1090430091 IVTGRRWCIVMMBH-OLZOCXBDSA-N 316.365 -0.135 30 20 DBED CC1(C)CC[C@@H](CNC(=O)C(N)=O)N(c2nccnc2C#N)C1 1092121672 RBZTWKCWEPMFIN-JTQLQIEISA-N 316.365 -0.055 30 20 DBED Cc1ccc(C#N)c(N2CC[C@H](NC(=O)CC(N)=O)[C@H](O)C2)n1 1092134685 PEZPIBPMTRQBSH-NWDGAFQWSA-N 317.349 -0.807 30 20 DBED C#CCCN1C[C@@H]2CN(C(=O)Cn3c(O)nnc3O)C[C@]2(C)C1 1092234029 YBKZTXKGZFYDJR-ABAIWWIYSA-N 319.365 -0.507 30 20 DBED C#CCN1CC(OC2CCN(C(=O)c3cnn(C)c3N)CC2)C1 1093529936 MYHRBAXZBBIBKE-UHFFFAOYSA-N 317.393 -0.059 30 20 DBED Cc1cc(C#N)nc(NCCNC(=O)C[C@@H]2CCC(=O)N2)n1 1093724850 RGPGDDBCJCRQOC-JTQLQIEISA-N 302.338 -0.147 30 20 DBED N#Cc1cnc(NCCNC(=O)c2cnn3c(=O)cc[nH]c23)cn1 1094160363 LNZZKNNUOSAVKT-UHFFFAOYSA-N 324.304 -0.474 30 20 DBED N#Cc1c[nH]ccc1=NCCCNC(=O)C[C@H]1CCC(=O)N1 1094494305 LEGMUCJERVILIT-GFCCVEGCSA-N 301.350 -0.038 30 20 DBED Cn1cnn(CC(=O)NCCCNc2ncccc2C#N)c1=O 1094651891 KSHSECDDPAHOSA-UHFFFAOYSA-N 315.337 -0.533 30 20 DBED CN(CCCNC(=O)[C@@H]1COCCN1C)c1ccnc(C#N)n1 1095522203 GNEBEUKPZJTVMQ-LBPRGKRZSA-N 318.381 -0.379 30 20 DBED COc1ccnc(N2CCN(CCNC(=O)[C@@H](C)C#N)CC2)n1 1096279007 QKYORADDMXZSJA-LBPRGKRZSA-N 318.381 -0.117 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCN(c2nc(C)ns2)C1 1096359915 JADMNPPJYSRECE-SNVBAGLBSA-N 307.379 -0.319 30 20 DBED CC(=O)N(C)CC(=O)N[C@H]1C[C@H](Nc2nccnc2C#N)C1 1096992921 IROCKZASOZORLI-XYPYZODXSA-N 302.338 -0.114 30 20 DBED CC(=O)NCC(=O)NC[C@H]1CCCCN1c1cncc(C#N)n1 1097385856 QLGYSLWBOXUTIZ-CYBMUJFWSA-N 316.365 -0.041 30 20 DBED Cc1cc(C#N)nc(N[C@H](C)CNC(=O)CS(C)(=O)=O)n1 1097699489 KNSROMBGGIGKKO-SECBINFHSA-N 311.367 -0.382 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@H](C)N=c1cc[nH]c(C(=O)OC)n1 1097793897 HBDMZQBYEGVMBP-BONVTDFDSA-N 322.365 -0.071 30 20 DBED C[C@H](CCNC(=O)CCn1cncn1)N=c1cc[nH]c(C#N)n1 1098842865 FLPBFTHCOYEXJA-LLVKDONJSA-N 314.353 -0.241 30 20 DBED C#CCN1CC(C)(C)CC[C@H]1CNC(=O)CN1CC(=O)NC1=O 1099270208 JDZGDOHTYSZEJQ-LBPRGKRZSA-N 320.393 -0.222 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2ccncc2)[C@@H](O)C1 1099620748 QJDUZUCKBVHKMQ-GJZGRUSLSA-N 303.362 -0.104 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2n[nH]c(C)c2O)[C@H](O)C1 1099771215 DDBDDODOSZHOBN-NWDGAFQWSA-N 322.365 -0.761 30 20 DBED C#CCC1(C(=O)N[C@H]2CCN(CC(=O)NC)C[C@@H]2O)CCC1 1099873879 BMKXVDNMCPQEEW-STQMWFEESA-N 307.394 -0.523 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)[C@@H]2C[C@@H]3C[C@@H]3C2)[C@@H](O)C1 1099952155 PCTCLOJTJNDAOQ-QRTUWBSPSA-N 321.421 -0.114 30 20 DBED CN(CCNC(=O)CN1C(=O)CNC1=O)c1ccc(C#N)nc1 1100095936 PFGJJWYIADJYMG-UHFFFAOYSA-N 316.321 -0.943 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)CS(=O)(=O)CCC)[C@@H](O)C1 1100113835 FTNTYNRYNZAPBB-OLZOCXBDSA-N 318.439 -0.061 30 20 DBED C[C@H](C#N)C(=O)NCC1CC(NCC(=O)NC(=O)NC2CC2)C1 1100191309 GJQMZMRRSNYXNM-GRZMOONWSA-N 321.381 -0.381 30 20 DBED Cc1ccc(C#N)c(NCCN(C)C(=O)[C@H]2CNC(=O)N2)n1 1101921517 UJNIBTFXNWZOSW-LLVKDONJSA-N 302.338 -0.187 30 20 DBED CCCN(C(=O)C(N)=O)[C@H]1CCN(c2nccnc2C#N)C1 1102261932 MILFRMMFZJQXLR-JTQLQIEISA-N 302.338 -0.349 30 20 DBED CC(=O)N[C@H](C)C(=O)N(C)[C@H]1CCN(c2ccnc(C#N)n2)C1 1102668876 WGGYBYXUNXANHB-PWSUYJOCSA-N 316.365 -0.090 30 20 DBED CC(=O)N(C)CC(=O)N(C)[C@@H]1CCN(c2ccc(C#N)nn2)C1 1102671664 RKKWDIRKNVQZBQ-CYBMUJFWSA-N 316.365 -0.136 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(c2cc(F)ncn2)CCO1 1104330724 VSQPRFVUNFUUQE-GFCCVEGCSA-N 322.340 -0.023 30 20 DBED C[C@H](CNc1ccc(C#N)nn1)N(C)C(=O)[C@H]1COCCN1C 1104527071 KYEQQXHPSBLMPZ-DGCLKSJQSA-N 318.381 -0.062 30 20 DBED Cc1nnc(CC(=O)N2CC(n3cc(CNCC#N)nn3)C2)o1 1105227792 ZAMNVUPTASGBMT-UHFFFAOYSA-N 316.325 -0.791 30 20 DBED Cc1ncc(CC(=O)N2CC(n3cc(CNCC#N)nn3)C2)o1 1105256531 HZSWUHWSJHZWFU-UHFFFAOYSA-N 315.337 -0.186 30 20 DBED CN(CCN(C)c1ccnc(C#N)n1)C(=O)c1nccnc1N 1105351242 IGIXITTXTKPNJQ-UHFFFAOYSA-N 312.337 -0.071 30 20 DBED CN(CCN(C)c1ccnc(C#N)n1)C(=O)[C@H]1CCNC1=O 1105534655 BBTUTMHZXWTOSD-JTQLQIEISA-N 302.338 -0.621 30 20 DBED Cc1cc(=NC[C@H](O)CNC(=O)C2=COCCO2)c(C#N)c[nH]1 1105715569 WWOORUIIDGEZPX-LBPRGKRZSA-N 318.333 -0.539 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](O)CNC(=O)c2cnsn2)n1 1105723231 KQGJKDHGGOPORV-VIFPVBQESA-N 319.350 -0.289 30 20 DBED Cc1nnsc1C(=O)NC[C@@H](O)CNc1cncc(C#N)n1 1105744024 IYJYBOYHWLBHIY-VIFPVBQESA-N 319.350 -0.289 30 20 DBED N#Cc1nc(=NC[C@H](O)CNC(=O)[C@@H]2CCCOCC2)cc[nH]1 1105802896 UEMKXUANZKFOJQ-NEPJUHHUSA-N 319.365 -0.524 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@@H](O)CNc2nccnc2C#N)c1 1105807098 AEYPCKGTNBZUPQ-JTQLQIEISA-N 311.305 -0.249 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](O)CNC(=O)c2n[nH]cc2F)n1 1106083609 RPIFSZWZSYMKQX-VIFPVBQESA-N 319.300 -0.278 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@@H](C)[C@H](CNCc2nc(O)n[nH]2)C1 1106116666 KEMXAMGVOGKJPI-IJLUTSLNSA-N 321.381 -0.267 30 20 DBED N#Cc1cncc(NC[C@H](O)CNC(=O)CCc2cnc[nH]2)n1 1106149606 BZOVUKJAXIJJGX-LBPRGKRZSA-N 315.337 -0.407 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)CN1CCCC1=O 1106680115 ZOJZRMCUZAHPEN-UHFFFAOYSA-N 316.365 -0.347 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)CCCC(=O)NC 1106730063 BPCVVKYCPDVEPL-UHFFFAOYSA-N 318.381 -0.053 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)[C@@H]1COCCN1C 1106732028 SAXMXNHPZXYSHT-LBPRGKRZSA-N 318.381 -0.639 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)[C@H]1CCC(=O)N1C 1106917192 NAWKXZAOZRRDKA-LLVKDONJSA-N 316.365 -0.349 30 20 DBED Cc1cc(C#N)nc(NC/C=C/CNC(=O)CS(C)(=O)=O)n1 1107105116 JVVMXWRQRWESPP-ONEGZZNKSA-N 323.378 -0.214 30 20 DBED C=CCOCCN1CC(n2cc(CNC(=O)[C@@H](C)OC)nn2)C1 1107138454 CRKIVXZURRAWIM-GFCCVEGCSA-N 323.397 -0.012 30 20 DBED CC#CCN1CCO[C@@](C)(CNC(=O)[C@H]2COCCN2CC)C1 1108039331 BHAUYGLVCHEJTO-WBVHZDCISA-N 323.437 -0.063 30 20 DBED C#CCCN1CCO[C@](C)(CNC(=O)C2(C(=O)NC)CC2)C1 1108275451 DQYAKXSFNGNZOS-OAHLLOKOSA-N 307.394 -0.257 30 20 DBED C=CCCC(=O)N[C@@H]1CC(=O)N(C2CN([C@@H](C)C(N)=O)C2)C1 1108517654 LCEAWNNTMFZKOA-WDEREUQCSA-N 308.382 -0.772 30 20 DBED CC[C@@H](C)OCC(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1 1108533234 RKMKXBBJBBBYSQ-VXGBXAGGSA-N 308.382 -0.274 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)C[C@@H](C)COC)CC2=O)C1 1108583339 LULBLWIRRAXHRT-OLZOCXBDSA-N 307.394 -0.307 30 20 DBED C[C@@H](CNc1ccc(C#N)cn1)NC(=O)Cn1ncn(C)c1=O 1108596279 KHXINVQEGXGRGN-JTQLQIEISA-N 315.337 -0.535 30 20 DBED Cc1cc(C#N)nc(N(C)C[C@H](C)NC(=O)[C@H]2COC(=O)N2)n1 1108926843 LYWZYVOXVPUDSK-GXSJLCMTSA-N 318.337 -0.294 30 20 DBED C[C@@H](CN(C)c1ccc(C#N)nn1)NC(=O)CCCC(N)=O 1109013611 YEGMWFYOHNQRJE-JTQLQIEISA-N 304.354 -0.055 30 20 DBED C#CCOCCC(=O)N[C@H](C)CN(C)c1nccn2nnnc12 1109102519 UNHAFWMCYMSPGD-LLVKDONJSA-N 317.353 -0.500 30 20 DBED C[C@@H](CN(C)c1ccc(C#N)nn1)NC(=O)C[C@@H]1CCNC1=O 1109114048 GWLSHFRVIVEBTG-QWRGUYRKSA-N 316.365 -0.185 30 20 DBED CN(C)CCC(=O)N[C@H]1[C@H]2C[C@H]1N(c1ccc(C#N)nn1)C2 1109739736 FDULPRLKNLOPDX-NVBFEUDRSA-N 300.366 -0.007 30 20 DBED C[C@]1(CNC(=O)C(N)=O)CCCN(c2ccc(C#N)nn2)C1 1110953595 JJEHZIZNMUKORQ-CQSZACIVSA-N 302.338 -0.444 30 20 DBED CO[C@@H](C)C(=O)N[C@]1(CO)CCCN(c2cnc(C#N)cn2)C1 1111336469 QKWDGFOBLYDBPL-XHDPSFHLSA-N 319.365 -0.169 30 20 DBED CC(C)N(C)CC(=O)N(CCO)CCNc1nccnc1C#N 1111481113 ZHOBNNAQOVDHRB-UHFFFAOYSA-N 320.397 -0.079 30 20 DBED Cc1nonc1C(=O)N(CCO)CCNc1cnc(C#N)cn1 1111486802 HUTSRFXHCIBKJT-UHFFFAOYSA-N 317.309 -0.414 30 20 DBED CC(C)[C@@H](O)C(=O)NC[C@@H]1COCCN1c1cnc(C#N)cn1 1111683126 ISYCIHUUHVYSNZ-TZMCWYRMSA-N 319.365 -0.313 30 20 DBED CC(=O)NCC(=O)N[C@H]1CCN(c2cnc(C#N)cn2)C[C@@H]1C 1112388441 PFHCLOGLTOMOSJ-GWCFXTLKSA-N 316.365 -0.185 30 20 DBED COc1ccnc(N2C[C@@H](O)[C@H](CNC(=O)C#CC3CC3)C2)n1 1112721370 YGSKJAOWKBMGLV-CHWSQXEVSA-N 316.361 -0.188 30 20 DBED CN(C)CCC(=O)NC[C@@H]1CN(c2ccc(C#N)cn2)C[C@@H]1O 1112754522 BXFXUMVKWZHPDM-KGLIPLIRSA-N 317.393 -0.182 30 20 DBED C#CCCCCC(=O)N1CCN([C@H](C)C(=O)NC(N)=O)CC1 1112776010 LCVYTAFTLRSAEA-GFCCVEGCSA-N 308.382 -0.092 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCN([C@H](C)c2nnnn2C)CC1 1112846521 QXMNJRLCQYSTGF-NEPJUHHUSA-N 306.370 -0.546 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)[C@H]2CCC2(F)F)CC1 1113000318 XXMUNKCDXVGJLP-SNVBAGLBSA-N 300.309 -0.184 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)C2(CN(C)C)CC2)CC1 1113271409 PHTBUAXDIXIQPS-AWEZNQCLSA-N 320.437 -0.390 30 20 DBED Cc1cc(=O)c(C(=O)N2CCN(CC(=O)NCC#N)CC2)c[nH]1 1113489556 DFTOCGCRTSPKIZ-UHFFFAOYSA-N 317.349 -0.919 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)CCCCC(N)=O)CC1 1113518819 YURCSHWLNDLDTE-CYBMUJFWSA-N 324.425 -0.133 30 20 DBED C=CCOCCN1C[C@H]2C(NC(=O)[C@H]3COCCN3C)[C@@H]2C1 1114146818 JBAHCPOZIGBGBV-MGPQQGTHSA-N 309.410 -0.434 30 20 DBED O=C(C#CC1CC1)NC1[C@@H]2CN(C[C@@H]3CCS(=O)(=O)C3)C[C@@H]12 1114253939 XAWKNIZOYNPBPM-BFHYXJOUSA-N 322.430 -0.119 30 20 DBED C=C(C)CN1C[C@H]2[C@H](NC(=O)[C@@H](C)NS(C)(=O)=O)[C@H]2C1 1114888344 FKDKXWOTKFRUMU-WYUUTHIRSA-N 301.412 -0.453 30 20 DBED CN(c1ccc(C#N)nn1)C1CCN(C(=O)CNC(N)=O)CC1 1115129361 MJXKHZHKFRYOPC-UHFFFAOYSA-N 317.353 -0.556 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3ccnc(C)n3)[C@H]2C1 1115248357 WHEWMIARUICSQY-RYUDHWBXSA-N 313.361 -0.806 30 20 DBED N#CCNC(=O)COC(=O)c1ccc(S(N)(=O)=O)s1 1116015931 NFFNWWPBTPLEGN-UHFFFAOYSA-N 303.321 -0.808 30 20 DBED C[C@@H](CS(C)(=O)=O)NC(=O)C(=O)N1CCC[C@](C)(C#N)C1 1117378934 GITHCEWQMXGZLU-GXFFZTMASA-N 315.395 -0.312 30 20 DBED CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCO[C@H](C#N)C1 1117616646 ORTUXQYGRFLOCV-OLZOCXBDSA-N 322.409 -0.026 30 20 DBED C[C@@H](NC(=O)C(=O)NCc1nnn(C)n1)c1cccc(C#N)c1 1119500827 VCWIWHDSZFGRJZ-SECBINFHSA-N 313.321 -0.425 30 20 DBED COC(=O)[C@H]1CN(C(=O)C(=O)N2CCC[C@H](C#N)C2)CCO1 1120332586 OWSHQSCNBQOVNH-GHMZBOCLSA-N 309.322 -0.851 30 20 DBED Cc1[nH]nc(C(=O)NC[C@H](CO)Nc2cnc(C#N)cn2)c1C 1121248446 BPMRJYZXOHALNH-LLVKDONJSA-N 315.337 -0.109 30 20 DBED Cc1nccc(C(=O)NC[C@@H](CO)N=c2cc[nH]cc2C#N)n1 1121660118 VOROSZKOIKZJBQ-LBPRGKRZSA-N 312.333 -0.324 30 20 DBED Cn1cncc1C(=O)NC[C@@H](CO)Nc1nccnc1C#N 1122219250 SYGJHBMUXJZBSG-VIFPVBQESA-N 301.310 -0.715 30 20 DBED Cc1cnoc1C(=O)N(C)C[C@H](O)CN=c1cc[nH]c(C#N)n1 1124493438 SAPAJJXFYNEWAL-SNVBAGLBSA-N 316.321 -0.388 30 20 DBED C#CCOCCC(=O)NCCNC[C@@H](O)CO[C@H](C)COC 1127032117 TXCAZYUFQYBOBS-ZIAGYGMSSA-N 316.398 -0.856 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1csc([C@@H](C)OC)n1 1127345162 XRNGKELUJQEUCL-SNVBAGLBSA-N 324.406 -0.081 30 20 DBED C=C(Br)CNCCNC(=O)[C@@H](C)NC(=O)COC 1127966704 FGQGHRNLOMMTCX-SECBINFHSA-N 322.203 -0.248 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1sc2nccn2c1C 1129660902 WYKFCHOAQVJCSH-UHFFFAOYSA-N 319.390 -0.227 30 20 DBED CCCN(C)CCC(=O)N1C[C@H](n2ccnn2)[C@H](NCC#N)C1 1130096540 KKQATZPYVHJEBB-KGLIPLIRSA-N 319.413 -0.125 30 20 DBED C#CCN1CC[C@@]2(C1)CN(C(=O)CCNC(=O)NC)C[C@H](C)O2 1131657295 HXMSRKWGAJEWKU-XJKSGUPXSA-N 322.409 -0.370 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)c2cnc(O)n2C)C1=O 1132367202 RGNZKHFPIANRFM-JTQLQIEISA-N 307.354 -0.768 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)c1c(C)cnn1C 1135219107 QLKZEJJTOLFWBG-OLZOCXBDSA-N 319.409 -0.036 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC2(CCN([C@H]3CCNC3=O)C2)C1 1147529827 BMICVPYPHYAFKW-STQMWFEESA-N 305.378 -0.553 30 20 DBED CCN(CC(=O)NC(N)=O)[C@H](C)CNC(=O)CSCC#N 1151954030 JUKBICSYRFSGEJ-SECBINFHSA-N 315.399 -0.735 30 20 DBED C#CCN1CCC(C(=O)NCCNCc2ccn(C)n2)CC1 1152334580 IYFQTMJTESTIHI-UHFFFAOYSA-N 303.410 -0.029 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)c1ccc(C(N)=O)nc1 1153521023 XGKAQLGOKIVZAI-SNVBAGLBSA-N 319.365 -0.809 30 20 DBED C=CCNC(=O)NC(=O)CNCCCNC(=O)[C@@H](C)OCC 1154939779 OJEGCHAYRDPVAX-LLVKDONJSA-N 314.386 -0.481 30 20 DBED C#CCNC(=O)CC(=O)NCCCN[C@@H](C)C(=O)NCCCC 1156857564 VKNBNIVMNDDEIX-ZDUSSCGKSA-N 324.425 -0.473 30 20 DBED COCC#CCNCCCNC(=O)CCNC(=O)[C@H]1C[C@H]1C 1159240065 FLYAEQWEKCWDAP-KGLIPLIRSA-N 309.410 -0.106 30 20 DBED C#CCN1CC=C(CCNC(=O)[C@@H](C)NC(=O)COC)CC1 1160221217 FBFRXPHTDOYQGG-CYBMUJFWSA-N 307.394 -0.091 30 20 DBED N#CCNC(=O)CNCCCNC(=O)Cc1ccc(F)cn1 1161190045 OLQVWCBVOZJXDM-UHFFFAOYSA-N 307.329 -0.501 30 20 DBED C#CCN1CC=C(CCNC(=O)[C@@H]2CCS(=O)(=O)N2)CC1 1161889491 WSPGUVPTSAGDBT-ZDUSSCGKSA-N 311.407 -0.550 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)c2cnc(O)n2C)C1=O 1163937079 XFJDHPZBUKMJLQ-LLVKDONJSA-N 321.381 -0.378 30 20 DBED C=CCNC(=O)CNCC1(CCNC(=O)CCCC(N)=O)CC1 1168507321 BEYHVICSOMQBSG-UHFFFAOYSA-N 324.425 -0.180 30 20 DBED C[C@H](CCCCNCC(=O)NCC#N)NC(=O)[C@H]1CCNC1=O 1174658399 CZALIRTVEJZJBH-NEPJUHHUSA-N 323.397 -0.973 30 20 DBED C#CCCCCC(=O)N1CC[C@H](NCC(=O)NC(N)=O)[C@@H]1C 1178503921 XEUVAHZAWRJKBA-RYUDHWBXSA-N 308.382 -0.046 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)CNC(=O)CCC)C1 1181396401 VURCXXFZGXPLPF-QWHCGFSZSA-N 324.425 -0.216 30 20 DBED C#CCNC[C@H]1CN(C(=O)CNC(C)=O)CC12CCOCC2 1186237171 RMXASLGTBBVWQX-AWEZNQCLSA-N 307.394 -0.400 30 20 DBED N#CCNC[C@H]1CN(C(=O)Cn2cncn2)CC12CCOCC2 1186552545 GZQJGSONWSCFED-ZDUSSCGKSA-N 318.381 -0.354 30 20 DBED N#CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3cncnc3)[C@@H]2C1 1187646892 WCHQLENPGNZBMQ-WCQYABFASA-N 314.349 -0.737 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H]2CCN(C(=O)c3cnn[nH]3)[C@@H]2C1 1188427920 GGWLRFHTLUCXCZ-NTZNESFSSA-N 316.365 -0.911 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)COc2cc(C)on2)C1 1193925623 LHRJXBHFKWGGAQ-CHWSQXEVSA-N 323.349 -0.827 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2ccn(C)n2)C1 1194011685 WEMJOBDIJWRFJL-GFCCVEGCSA-N 303.366 -0.684 30 20 DBED COCCCNC(=O)CN1CCCN(C(=O)[C@H](C)C#N)CC1 1195314664 RPTUTZYOCCZUBW-CYBMUJFWSA-N 310.398 -0.167 30 20 DBED CC#CCCCC(=O)N[C@@H]1CN(CC(=O)NC2CC2)C[C@H]1O 1195467647 RHFGJOYSFFZEOX-ZIAGYGMSSA-N 307.394 -0.380 30 20 DBED COCC#CCN1CCCN(C(=O)[C@H]2CCNC(=O)C2)CC1 1195472311 BOSIWQURWIFBHZ-AWEZNQCLSA-N 307.394 -0.303 30 20 DBED C#CCNC(=O)CC(=O)N1CCCN(CCC[C@H](C)O)CC1 1195588446 HWQYVWHZDLVKPE-AWEZNQCLSA-N 309.410 -0.179 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)[C@@]2(C)CCNC2=O)CC1 1197141925 PJZIOXRTSCESPE-INIZCTEOSA-N 322.409 -0.651 30 20 DBED CC(C)C[C@@H](C)C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1O 1197244025 JRIWWRXXBLXSGK-JHJVBQTASA-N 310.398 -0.530 30 20 DBED C[C@H](C#N)C(=O)N1CCCO[C@@H](CNCCS(C)(=O)=O)C1 1200116272 VOIKXMLCZGPQMH-NEPJUHHUSA-N 317.411 -0.602 30 20 DBED C=CCNC[C@@H]1CN(C(=O)CCNS(C)(=O)=O)CCCO1 1200648150 GTGGCYRZEBXNMS-GFCCVEGCSA-N 319.427 -0.681 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)C2(COC)CC2)CC1 1201625043 PHZMFBKGBIWUKC-UHFFFAOYSA-N 307.394 -0.257 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)CCCOC)CC1 1204617961 TVQTVGKKTLMZBC-UHFFFAOYSA-N 309.410 -0.009 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC(CNC[C@H](O)COC)CC1 1205264156 AKPKQRUPYVBFKW-HIFRSBDPSA-N 312.410 -0.140 30 20 DBED COCC#CCNCC1CCN(C(=O)[C@@H]2CCC(=O)NC2)CC1 1205594378 QXHDMGRASVOOLM-OAHLLOKOSA-N 321.421 -0.009 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 1206778621 BRSDKGROYJVSFN-ZWNOBZJWSA-N 314.349 -0.424 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN([C@@H](C)C(=O)N(C)C)C[C@H]1C 1206891768 IBSLZAJFTMTZMH-FRRDWIJNSA-N 322.409 -0.961 30 20 DBED C=CCN1C[C@@H](NC(=O)CN(C)S(=O)(=O)N(C)C)[C@H](C)C1 1206970117 CAOXRNGQRPOPIL-VXGBXAGGSA-N 318.443 -0.653 30 20 DBED N#CCN[C@H]1CCCN(C(=O)CNC(=O)c2ccncc2)C1 1208130856 GKVIOHKJDQUHEO-ZDUSSCGKSA-N 301.350 -0.084 30 20 DBED CCn1cc(C(=O)N[C@@H]2CN(CC#CCOC)C[C@H]2OC)cn1 1212038945 BLPHKXVKLSRIMK-HUUCEWRRSA-N 320.393 -0.018 30 20 DBED CO[C@@H]1CN(CCOCCO)C[C@H]1NC(=O)C#CC(C)(C)C 1212249031 UIUQBQDDHBZLPH-ZIAGYGMSSA-N 312.410 -0.140 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)c2ccnnc2)[C@H](OC)C1 1213480812 KGZFFRYSHJZAEX-CHWSQXEVSA-N 319.365 -0.792 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)CCn2cccn2)C[C@H]1C 1214153907 GKVLOHPJZKBTFQ-ZIAGYGMSSA-N 317.393 -0.541 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2ncc[nH]2)C[C@H]1C 1214569192 SPNDMLFHUIOZHO-GRYCIOLGSA-N 303.366 -0.402 30 20 DBED CC#CCN[C@@H]1CN(C(=O)[C@H](C)NS(=O)(=O)CC)C[C@H]1C 1214678583 IBKXHZPLRBHUQD-FRRDWIJNSA-N 315.439 -0.226 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C[C@H]1C 1214950573 SWDGVRICPRTTQG-KLHDSHLOSA-N 323.437 -0.208 30 20 DBED C=C(C)CN[C@@H]1CN(C(=O)C[C@H](NC(C)=O)C(N)=O)C[C@H]1C 1215802337 BOMNZYKPOSZRNV-KGYLQXTDSA-N 310.398 -0.621 30 20 DBED COCC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CCOC1 1217420846 RLKSUIBQLKLACA-SOUVJXGZSA-N 308.378 -0.416 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](NC(=O)CCn2cnccc2=O)C1 1220653131 ASSQKKPJDJXKHC-KGLIPLIRSA-N 320.393 -0.239 30 20 DBED COCC#CCN1CCC(NC(=O)CN2CCCC2=O)CC1 1225980572 SJYSXHLRDKTQEE-UHFFFAOYSA-N 307.394 -0.161 30 20 DBED CNC(=O)NC(=O)CN1CCC(NC(=O)C#CC(C)C)CC1 1227244050 GSOMPUYCBUOYBH-UHFFFAOYSA-N 308.382 -0.318 30 20 DBED C#CCCN1CCS(=O)(=O)[C@H](CCNC(=O)COC)C1 1230396793 TYFVVSGWEUSGAM-GFCCVEGCSA-N 302.396 -0.739 30 20 DBED C=CCN1CC[C@H](N2CC[C@H]2CN(C)C(=O)CNC(C)=O)C1=O 1230642818 VZHVNGZBURZGFY-KBPBESRZSA-N 322.409 -0.558 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)[C@H]1CCCN1C 1231217230 PCZGCOOZHIHFKI-ZIAGYGMSSA-N 306.410 -0.637 30 20 DBED C[C@H](C#N)C(=O)N(C)C[C@H]1CCN1CCN1C(=O)CCC1=O 1231293193 KCGOUULODRTFCJ-VXGBXAGGSA-N 306.366 -0.172 30 20 DBED C=CCOC[C@@H]1NC(=O)N(C[C@H]2CCS(=O)(=O)C2)C1=O 1257783994 AMHBNKRCSSIILI-ZJUUUORDSA-N 302.352 -0.456 30 20 DBED C#CCCCCNC(=O)C(=O)N1CCC[C@@H](S(C)(=O)=O)C1 1259791621 WBRQZPWBDMCAAF-GFCCVEGCSA-N 314.407 -0.058 30 20 DBED COC(=O)C1(C#N)CCN(S(=O)(=O)c2cnn(C)c2)CC1 1259825871 XRQBSCRDLWKEJN-UHFFFAOYSA-N 312.351 -0.112 30 20 DBED C#CC1CCN(C(=O)C(=O)N[C@H](C)CN2CCCC2=O)CC1 1326871178 ZECUYHFSSHFINE-GFCCVEGCSA-N 305.378 -0.015 30 20 DBED C=C[C@@H](O)C(=O)OCC(=O)N1CCC(C(=O)N2CCCC2)CC1 1327789925 YPDOQXALIBIMFO-CYBMUJFWSA-N 324.377 -0.063 30 20 DBED C[C@@H](CNC(=O)C(=O)N1CCC[C@](C)(C#N)C1)S(C)(=O)=O 1329218317 GIHQTQQKRRNGSF-GXFFZTMASA-N 315.395 -0.312 30 20 DBED C#CCNC(=O)C1CCN(C[C@@H](O)C[C@@]2(O)CCOC2)CC1 1333263437 FTTMUDDOPCUHCT-HOCLYGCPSA-N 310.394 -0.650 30 20 DBED C=C(C)COCCNC(=O)C(=O)NCC1([S@](C)=O)CC1 1343450056 CIJXEFNPPJNXDY-FQEVSTJZSA-N 302.396 -0.277 30 20 DBED C=CCOCc1nnc(N2CCCNC(=O)C2)n1CCOC 1345253658 GDVRHWGVRFODRS-UHFFFAOYSA-N 309.370 -0.047 30 20 DBED N#Cc1cn(CC(=O)N[C@H]2CCn3ccnc3C2)c(=O)nc1O 1362516742 HHRJHPGAGHGGTB-JTQLQIEISA-N 314.305 -0.852 30 20 DBED CNC(=O)Cn1cc(NC(=O)N2CC[C@@](O)(CC#N)C2)cn1 1365046701 LQZTUZPCRRSUDQ-ZDUSSCGKSA-N 306.326 -0.489 30 20 DBED CCN(CCNC(=O)[C@@H](C)C#N)C(=O)CN(C)S(C)(=O)=O 1388404833 CERNXEADBQHWPM-JTQLQIEISA-N 318.399 -0.998 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](C)NC(=O)CNC(=O)N1CCCC1 1392327429 YJABWOYURPJZPL-WDEREUQCSA-N 309.370 -0.428 30 20 DBED C=C(Cl)CN(CCNC(=O)[C@H]1COC(=O)N1)CCOC 1411227765 XDZKKUSGQDETEH-SNVBAGLBSA-N 305.762 -0.088 30 20 DBED N#Cc1cn(CC(=O)N2CC[C@H](CCCO)C2)c(=O)nc1O 1417994714 QLSDJROUHXJKFH-JTQLQIEISA-N 306.322 -0.558 30 20 DBED C[C@H]1CN(C(=O)CN2CC(CNC(=O)[C@H](C)C#N)C2)CCO1 1419011922 XQDGAVFNSYNIAX-NEPJUHHUSA-N 308.382 -0.559 30 20 DBED C=C(Cl)CNC[C@H](O)CNC(=O)CS(=O)(=O)C(C)C 1420210384 DOYLUAJVPDZGGP-JTQLQIEISA-N 312.819 -0.371 30 20 DBED C=C(Cl)CN1CC[C@H]1CNC(=O)CN1CCNC(=O)C1 1420844950 FQNDGRFYZMHMHF-NSHDSACASA-N 300.790 -0.639 30 20 DBED C=C(Cl)CN1C[C@@H]2C[C@H]1CN2C(=O)CN(C)S(C)(=O)=O 1421204358 LFYDLUUTGFAOEQ-QWRGUYRKSA-N 321.830 -0.085 30 20 DBED CCN(CCC#N)C(=O)CNCC1(O)CCN(C(C)=O)CC1 1422096082 URRLFJIARBFSIM-UHFFFAOYSA-N 310.398 -0.288 30 20 DBED COC(=O)NCC(=O)NC[C@@H](C)NC(=O)c1ccc(C#N)[nH]1 1447820457 XGZVGLVPLHGWKM-MRVPVSSYSA-N 307.310 -0.523 30 20 DBED N#Cc1cn(CCNC(=O)c2ccc(CO)cc2)c(=O)nc1O 1470361677 SCPVIUQYVPTKTI-UHFFFAOYSA-N 314.301 -0.257 30 20 DBED CN(CCNC(=O)c1cc(C#N)c[nH]1)C[C@H](O)Cn1cccn1 1480852921 OWMDBMFLJANVBJ-ZDUSSCGKSA-N 316.365 -0.194 30 20 DBED CCNC(=O)CN1CC(N2CCN(C(=O)[C@H](C)C#N)CC2)C1 1484941327 CRGSHRSMIKPIIU-GFCCVEGCSA-N 307.398 -0.889 30 20 DBED C[C@H](C#N)C(=O)NCCN(C)C[C@H](O)COC1CCOCC1 1492216518 CUOMPVNYFLEYDU-OLZOCXBDSA-N 313.398 -0.249 30 20 DBED Cc1nn(C)c(C)c1CC(=O)NC[C@H](O)CNC(=O)[C@H](C)C#N 1501585709 TUMQPYYKEUMZHN-SKDRFNHKSA-N 321.381 -0.668 30 20 DBED COCCN(CCNC(=O)c1cncnc1)C(=O)[C@@H](C)C#N 1511845049 BIUFXUNRKSBRTB-NSHDSACASA-N 305.338 -0.159 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)c2cc(COC)on2)C1 1566674759 BMSOIAIRSUWPPA-NSHDSACASA-N 320.349 -0.626 30 20 DBED C=CCOCC(=O)N1CC[C@@H]([C@@H](C)NC(=O)CNC(=O)O)C1 1573369599 WSHQRRCPUICIOL-GHMZBOCLSA-N 313.354 -0.190 30 20 DBED COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)C1CC2(CNC[C@@H]2C#N)C1 1578783007 JHZKHNYUNYBTCH-RFVMBOSQSA-N 321.377 -0.349 30 20 DBED C#CCN1CCC(NC(=O)c2cccn(CC(=O)O)c2=O)CC1 1588431181 UHEDZDAVUBSGKA-UHFFFAOYSA-N 317.345 -0.240 30 20 DBED Cn1cc(C#N)c(=O)n(CCc2ccc(-c3nn[nH]n3)cc2)c1=O 1592563589 WGNSLIFGMCIQBE-UHFFFAOYSA-N 323.316 -0.159 30 20 DBED COc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@](C)(O)C(=O)O 1594074975 HRVHTNOMACUXJV-CQSZACIVSA-N 321.289 -0.543 30 20 DBED COC[C@@H](NC(=O)CCN/C(O)=C1\N=CC=CC1=O)C(=O)O 1599168410 ABQIMGVKGKIUMT-MDBUJETNSA-N 311.294 -0.881 30 20 DBED N#CCC1(CNC(=O)C(=O)N2C[C@H](O)C[C@@H](C(=O)O)C2)CC1 1601062150 NIKRWHINJWCIBI-NXEZZACHSA-N 309.322 -0.910 30 20 DBED C=CCn1cc(C(=O)N2CC(NC(=O)[C@H]3C[C@H]3C(=O)O)C2)nn1 1602937589 AZYLUBRJEYLYRE-VHSXEESVSA-N 319.321 -0.875 30 20 DBED Cc1cc(-c2nn[nH]n2)cnc1C(=O)OCC(=O)NCC#N 1605553558 PPSDOQNQOKLBJA-UHFFFAOYSA-N 301.266 -0.633 30 20 DBED COC[C@]1(C(=O)O)CCCN1c1[nH]c(=O)n(C)c(=O)c1C#N 1606833882 CVVOMMCPSNWGTP-ZDUSSCGKSA-N 308.294 -0.985 30 20 DBED C=CCN1CCN(CN2CC(n3cc(C(=O)O)nn3)C2)C1=O 1609398898 QHIAXFWXKXQINN-UHFFFAOYSA-N 306.326 -0.286 30 20 DBED C=CCNC(=O)CN1CCC[C@H](NC(=O)CN2CCOCC2)C1 1713787479 DVXLZUJYBGWKRU-AWEZNQCLSA-N 324.425 -0.799 30 20 DBED C=CCOCCN1CCN(CCNC(=O)c2ccn(C)n2)CC1 1752375397 NUHMZDSSLKSUDX-UHFFFAOYSA-N 321.425 -0.030 30 20 DBED Cc1n[nH]cc1C(=O)NC[C@H](NCC(=O)NCC#N)C1CC1 1752471498 BNKHZFZRJUBOLM-LBPRGKRZSA-N 304.354 -0.544 30 20 DBED C#CCNC(=O)CN(C)CCNC(=O)Cc1cncc(C)c1 1753058136 KRTGMQWMAOSLOL-UHFFFAOYSA-N 302.378 -0.270 30 20 DBED C=CCN1CC[C@@H](NCCN(C)C(=O)[C@]2(C)CCC(=O)N2)C1=O 1753229875 XQPAXVVRKNCLRO-WBMJQRKESA-N 322.409 -0.510 30 20 DBED CCCN(C(=O)CCNC(=O)COC)[C@H]1CCN(CC#N)C1 1753317681 TYLRHCWRWABWFO-ZDUSSCGKSA-N 310.398 -0.024 30 20 DBED N#CCNC(=O)CN1CC(NC(=O)c2ccnc3ccncc23)C1 1753381926 BBWOHQAPAUXQOJ-UHFFFAOYSA-N 324.344 -0.316 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC(NC(=O)c2cc(CC)nn2C)C1 1753389362 KTHHDRYRRKKRBJ-LLVKDONJSA-N 317.393 -0.466 30 20 DBED N#CCNC(=O)CN1C[C@@H]2C[C@H]1CN2C(=O)CCOCC1CC1 1753420517 ANIYIIJTBKNYET-KBPBESRZSA-N 320.393 -0.272 30 20 DBED C#CCNC(=O)CNC[C@H](C)CNC(=O)[C@H]1CCCCN1CC 1753644821 NQYGRJLZPGMLGB-LSDHHAIUSA-N 322.453 -0.048 30 20 DBED CN(CC#N)CCC1CCN(C(=O)Cn2c(O)nnc2O)CC1 1753823909 RRGKPEPPXVYWNY-UHFFFAOYSA-N 322.369 -0.227 30 20 DBED C#CCNC(=O)CN1CC[C@](C)(NC(=O)Cn2cncc2C)C1 1754676861 UMWMNIHTIOMEFD-INIZCTEOSA-N 317.393 -0.478 30 20 DBED COCC#CCN1CCOC[C@@H]1CNC(=O)C1(CN(C)C)CC1 1754970937 CVXLVCQFZIRYOE-HNNXBMFYSA-N 323.437 -0.205 30 20 DBED CC1(C(=O)N[C@H]2COC3(C2)CN(CC(=O)NCC#N)C3)CCC1 1755063142 KBYHRDMQSURVET-GFCCVEGCSA-N 320.393 -0.224 30 20 DBED CC[C@H](F)C(=O)N[C@@H]1COC2(C1)CN(CC(=O)NCC#N)C2 1755063346 LROKLDZMIMIAGH-QWRGUYRKSA-N 312.345 -0.666 30 20 DBED C=CCN1CC2(C[C@H](NC(=O)CCS(C)(=O)=O)CO2)C1 1755064601 ZOGBMHRULCWBMT-NSHDSACASA-N 302.396 -0.433 30 20 DBED CC#CCN[C@@]1(CO)CCCN(C(=O)CCn2cnnn2)C1 1755091063 TYQITVHXWCLVMX-AWEZNQCLSA-N 306.370 -0.970 30 20 DBED C#CCNC(=O)CNCC(C)(C)CN(C)C(=O)c1ccnnc1 1755285222 GQYCIOALVHXXQM-UHFFFAOYSA-N 317.393 -0.086 30 20 DBED C[C@@H]1[C@H](NCC(=O)NCC#N)CCN1C(=O)c1ccns1 1755654660 PTDJRUGOIQQZLS-NXEZZACHSA-N 307.379 -0.025 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](C)N(C)C(=O)c1cn(C)nn1 1756070672 MLWKYDTVDVROQM-WZRBSPASSA-N 321.381 -0.017 30 20 DBED C=CCOCC(=O)N1C[C@@H]2C(CNC(=O)CCNC(N)=O)[C@H]2C1 1756202231 VYIWGQHTHWCKRT-VXGBXAGGSA-N 324.381 -0.932 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H](CO)CNC(=O)c1ccsn1 1756530160 AMRFEESOIWSYJY-VHSXEESVSA-N 311.363 -0.612 30 20 DBED C=CCCC(=O)N[C@@H]1CN(C(=O)C[C@@H]2CCNC2=O)C[C@H]1O 1756984543 BEIFMUUSAHNZNM-QJPTWQEYSA-N 309.366 -0.833 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@@H](NC(=O)Cn2cccn2)[C@H](C)C1 1757054319 YGWKWPUUZSNGAI-MGPQQGTHSA-N 318.377 -0.116 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@H]2CCN(C(=O)CC(=O)NC)C[C@H]21 1757231551 WGVMBFNUNDAGMH-JHJVBQTASA-N 321.377 -0.780 30 20 DBED CN(C[C@@H]1CCN1C(=O)[C@H]1CC(=O)N(C)C1)C(=O)C#CC1CC1 1757290344 QIIJBOXSAWAOIM-KBPBESRZSA-N 317.389 -0.063 30 20 DBED Cc1c(C(=O)N2CC[C@](O)(CC#N)C2)nnn1-c1cnn(C)c1 1771754634 MYEFRXZBJUEMKP-CQSZACIVSA-N 315.337 -0.200 30 20 DBED NS(=O)(=O)CCNN=Cc1ccc(OCC(=O)O)cc1 1776047148 XKPWFMHNBOSVME-UHFFFAOYSA-N 301.324 -0.638 30 20 DBED CC[C@H](NN=C1CS(=O)(=O)N2C[C@H](OC)C[C@@]12C)C(=O)O 1776067102 PVISEIBEZSBSJL-PTRXPTGYSA-N 319.383 -0.382 30 20 DBED O=C(O)CNN=Cc1ccc(S(=O)(=O)NCC(=O)O)cc1 1776079433 YYPLCTZTEIHBML-UHFFFAOYSA-N 315.307 -0.942 30 20 DBED C#CC(=O)N1CCCC12CN(C(=O)[C@H](C)N1CCN(C)CC1)C2 1845959802 IDVSTKSKZOGTCA-AWEZNQCLSA-N 318.421 -0.541 30 20 DBED CCN(CCC#N)C(=O)CN1CCC[C@@H](NS(C)(=O)=O)C1 52672197 LFMWHLMKEOFQLS-GFCCVEGCSA-N 316.427 -0.238 30 20 DBED CC[C@@H](C)NC(=O)[C@H](C)Nc1c(C#N)c(=O)n(C)c(=O)n1C 68321158 YPGLSHOYNJMBIG-BDAKNGLRSA-N 307.354 -0.329 30 20 DBED COCCN(CCC#N)S(=O)(=O)N(CC(=O)O)C(C)C 263463497 FLEHYENHHUTUFH-UHFFFAOYSA-N 307.372 -0.112 30 20 DBED CC(C)OCCS(=O)(=O)NCC(=O)n1ncc(C#N)c1N 267369173 RLTSVBFVVKAQJY-UHFFFAOYSA-N 315.355 -0.678 30 20 DBED Cc1cc(C#N)ccc1S(=O)(=O)NCCN1CCNC(=O)C1 272698782 RLZJXYLQABSTNQ-UHFFFAOYSA-N 322.390 -0.423 30 20 DBED C[C@@H](C/N=C(/O)N1CCn2ncnc2C1)CN1CCOCC1 329943334 DKMNLDWTUPDFTH-LBPRGKRZSA-N 308.386 -0.024 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N1C[C@H](CO)OC[C@H]1C 336953823 WXKGCPHRPMMRCT-IJLUTSLNSA-N 305.400 -0.206 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[C@H](S(C)(=O)=O)C1 337070915 YPGFZHCPUIHJKF-MNOVXSKESA-N 323.440 -0.168 30 20 DBED CCOC[C@H](O)CNS(=O)(=O)N(CCC#N)CCOC 337093476 NNTNNHMDFWZMBX-LLVKDONJSA-N 309.388 -0.920 30 20 DBED Cn1cnc(CCNC(=O)C(=O)N2CCc3ccc(C#N)cc32)n1 339814291 RYJZAVYDOBKHMB-UHFFFAOYSA-N 324.344 -0.065 30 20 DBED COC(=O)C[C@@H](NS(=O)(=O)CCCCC#N)C(=O)OC 344965649 MWMXVEKXUSTHJC-SECBINFHSA-N 306.340 -0.296 30 20 DBED Cc1cc(NC(=O)N(C)CC(C)(CO)CO)nn1CCC#N 348166727 LQKOOQFZEHTMGR-UHFFFAOYSA-N 309.370 0.560 30 20 DBED CCC[C@H](NC(=O)C(=O)Nc1nn(C(C)C)cc1C#N)C(N)=O 357285607 FWWAMPGEMGMULJ-JTQLQIEISA-N 320.353 0.044 30 20 DBED C=CCOC[C@H](NC(=O)CCN1C(=O)CCC1=O)C(=O)OC 360724490 CCJXPEBGYJWMQZ-JTQLQIEISA-N 312.322 -0.614 30 20 DBED C=CCN(CCOC)C(=O)CN(C)[C@H]1CCS(=O)(=O)C1 362410012 IIEBDSFNAGHFDH-LBPRGKRZSA-N 304.412 -0.234 30 20 DBED C#CCN(C)CCCNS(=O)(=O)c1ccnn1COC 491166600 SPHZJMMKJSEMOU-UHFFFAOYSA-N 300.384 -0.280 30 20 DBED CCN(C[C@H](C)C#N)C(=O)CN1C(=O)NC2(CCNCC2)C1=O 516463316 HUYLRQFKQOHTJR-LLVKDONJSA-N 321.381 -0.331 30 20 DBED N#Cc1ccccc1OC[C@@H](O)CN1CCN(C(=O)CO)CC1 528427152 OCNIQEOFJPWKBD-AWEZNQCLSA-N 319.361 -0.566 30 20 DBED C[C@H](C#N)CNC(=O)[C@H](C)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 579421329 DNROGLCHCZUXQZ-MCNAKINOSA-N 305.334 -0.187 30 20 DBED CN(CCC#N)S(=O)(=O)N1CC[C@H](C(=O)O)[C@@H](C(=O)O)C1 583119050 KMVUUNMCPHTGGE-IUCAKERBSA-N 319.339 -0.816 30 20 DBED COC[C@]1(C(=O)O)CCN(S(=O)(=O)N(C)CCC#N)C1 591744504 DWBULLRRDBNXGN-NSHDSACASA-N 305.356 -0.500 30 20 DBED N#C[C@@]1(NC(=O)Cn2cnc(C(N)=O)n2)CCc2ccccc2C1 593134359 YXMQKLQZEUUSIC-MRXNPFEDSA-N 324.344 -0.056 30 20 DBED N#Cc1ccc(N2CCN(C(=O)C3(n4cnnn4)CC3)CC2)nc1 596886367 GOKZZFRPEWVQHE-UHFFFAOYSA-N 324.348 -0.222 30 20 DBED C#CCCCS(=O)(=O)N1CCC[C@@H](CNS(N)(=O)=O)C1 710862081 HYDONENJZFMFBU-NSHDSACASA-N 323.440 -0.765 30 20 DBED N#Cc1cccc(CS(=O)(=O)NC(=O)[C@@H]2COCCO2)c1 750421067 OWDBTSNLHXGJNU-LBPRGKRZSA-N 310.331 -0.080 30 20 DBED COC[C@H](NS(=O)(=O)c1ccc(C#N)cc1OC)C(N)=O 766518500 DCCHCNSOHJAOGI-VIFPVBQESA-N 313.335 -0.655 30 20 DBED C#CCOCCNC(=O)[C@@H](O)[C@@H](O)c1nc2ccccc2[nH]1 779840942 UBOQKIYAXBPCRW-OLZOCXBDSA-N 303.318 -0.277 30 20 DBED Cn1cnn(CC(=O)O[C@H](C(N)=O)c2ccc(C#N)cc2)c1=O 781263245 JVIGHQVGDMQJBC-LBPRGKRZSA-N 315.289 -0.777 30 20 DBED CC#CCS(=O)(=O)NC(=O)Cn1c(=O)n(C)c2ccccc21 810777230 DDFDRHRGMVWVKO-UHFFFAOYSA-N 321.358 -0.191 30 20 DBED C#CCONC(=O)[C@H](CC)N=c1nn[nH]n1-c1ccccc1 812782513 VZFXMSMQCLWAPY-LBPRGKRZSA-N 300.322 -0.044 30 20 DBED O=C(N[C@@H]1CCCN(O)C1=O)[C@@H]1CCCN1c1ncccn1 848137261 BSAKCBHMPXISBF-MNOVXSKESA-N 305.338 -0.058 30 20 DBED C#CCN1CCN(C(=O)CN2CCC(NC(=O)OC)CC2)CC1 852769221 QNSYIQXBKHEISC-UHFFFAOYSA-N 322.409 -0.416 30 20 DBED CCOC(=O)CON=C(C(=O)NC/C=C\CO)c1cc[nH]n1 855399167 KNDORXJZQJHRLP-JXGXSRTESA-N 310.310 -0.642 30 20 DBED C[C@H]1C(=O)N(N=Cc2ccc(S(N)(=O)=O)o2)C(=O)N1C 857216634 YTSKMCHXEHUQCF-LURJTMIESA-N 300.296 -0.457 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)NCCSC)CC1 892656878 HITCZVOCYYGPQY-UHFFFAOYSA-N 320.440 -0.856 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)c2cccn3nnnc23)C1=O 897651251 WUHFSSZYFVBTTI-LLVKDONJSA-N 300.322 -0.017 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](N(C)C(=O)c2c[nH]c(C(N)=O)c2)C1 939406026 KGFLDDXEQDKHEB-KOLCDFICSA-N 317.349 -0.054 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@@H](NC(=O)C[C@H]2CC(=O)NC2=O)C1 941483428 NNQCZCFZDAMTDT-WDEREUQCSA-N 321.377 -0.032 30 20 DBED C[C@@H]1CN(C(=O)C(N)=O)CC[C@H]1NC(=O)c1cc(C#N)c[nH]1 945485479 STLAUKLJSQIXCZ-PSASIEDQSA-N 303.322 -0.662 30 20 DBED C#Cc1cncc(C(=O)N[C@H]2[C@H]3C[C@H]2N(C(=O)c2nc[nH]n2)C3)c1 948008154 GBKQXNVRAZFTJW-XQQFMLRXSA-N 322.328 -0.176 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@@H]2CNC(=O)c2ncn(C)n2)nc1 949758941 JSJUDTSCKOGVQU-GFCCVEGCSA-N 324.344 -0.164 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]1CNC(=O)c1cncc(C(N)=O)c1 950117215 ZOPWQPKXKIUEGL-BXKDBHETSA-N 315.333 -0.329 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)C(N)=O)C1 950985237 OVBNHKRMOJHQEF-UTUOFQBUSA-N 309.366 -0.440 30 20 DBED C#Cc1cncc(C(=O)N2CC[C@@H]2CNC(=O)c2cnn[nH]2)c1 950998659 STSBHLWODAFLCB-GFCCVEGCSA-N 310.317 -0.175 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H](NC(=O)CN2C(=O)CCC2=O)C1 951872245 IJZLHWAYKGHGIP-MNOVXSKESA-N 320.349 -0.598 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H](NC(=O)c2ccc(=O)n(C)n2)C1 951873058 SJAYZKQEXQSGTQ-QWRGUYRKSA-N 317.349 -0.339 30 20 DBED COCC(=O)N1CCN([C@@H]2CCN(C(=O)C#CC3CC3)C2)CC1 956577913 KRLRJYFETOUUNN-OAHLLOKOSA-N 319.405 -0.209 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2cccc(C(N)=O)c2)C1 958190497 HXDPNDBBETZWSU-ZIAGYGMSSA-N 301.346 -0.559 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2c(OC)ccnc2O)C1 958593766 BMDGVVXXQHJOAT-WDEREUQCSA-N 305.334 -0.549 30 20 DBED N#Cc1ccc(CN2C[C@@H]3C(NC(=O)Cn4ncnn4)[C@H]3C2)cc1 959904693 XCNGKHJITNXQQO-KBPBESRZSA-N 323.360 -0.209 30 20 DBED CS(=O)(=O)c1cc(C(=O)N[C@H]2[C@@H]3CN(CC#N)C[C@@H]32)co1 960002585 NHVLELFVGHJNCL-IAZYJMLFSA-N 309.347 -0.133 30 20 DBED C=CCn1cc(C(=O)N2C[C@H](O)[C@H](NC(=O)C3CC3)C2)nn1 961103455 UJIGGOWISVUWJY-PWSUYJOCSA-N 305.338 -0.824 30 20 DBED Cn1nnc(C(=O)N2CCC[C@@H]([C@H]3CCN(CC#N)C3)C2)n1 961222736 ZGRQIQHGAYPAFO-NEPJUHHUSA-N 303.370 -0.092 30 20 DBED Cn1nncc1C(=O)N1C[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2C1 961484623 MHZYFUITKCCYHZ-BETUJISGSA-N 313.361 -0.241 30 20 DBED C#CCCN1C[C@@H]2C(NC(=O)C3CCS(=O)(=O)CC3)[C@H]2C1 961910048 JRTOHICLZQONMT-STQMWFEESA-N 310.419 -0.119 30 20 DBED C=C(C)CN1C[C@H]2[C@H](NC(=O)[C@@H]3CCN(C)S3(=O)=O)[C@H]2C1 962004900 ACIYRSDYKSYWTD-QNWHQSFQSA-N 313.423 -0.357 30 20 DBED C=C(C)CCN1C[C@H]2[C@H](NC(=O)c3cn(CC(N)=O)nn3)[C@H]2C1 962784828 ZPBJPPOEXYLYDQ-YABSGUDNSA-N 318.381 -0.610 30 20 DBED C=C[C@@](C)(CC)C(=O)N1CC2(CN(C(=O)CC(N)=O)CCO2)C1 965331756 DVTRQDHCIUGXJR-HNNXBMFYSA-N 323.393 -0.096 30 20 DBED C[C@@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)c1cc(=O)n(C)o1)C2 969805932 OQIMHODPQWLTFK-DCAQKATOSA-N 318.333 -0.047 30 20 DBED O=C1N[C@H](C(=O)N2CC[C@@H]3CN(C(=O)C#CC4CC4)[C@@H]3C2)CO1 972083823 KLBVXSLUHGPMOI-FRRDWIJNSA-N 317.345 -0.433 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCNC3=O)C2)C1 972420432 VJSREAKNDUZFTI-CJNGLKHVSA-N 305.378 -0.551 30 20 DBED C=CCCn1cc(C(=O)N2CC[C@@H](N(C)[C@@H](C)C(N)=O)C2)nn1 972516306 LLYONAPBUWGBTF-NWDGAFQWSA-N 320.397 -0.126 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H]2[C@H](NC(=O)[C@@H]3CN(C)C(=O)N3)[C@H]2C1 976947188 URLOFQMTHQOKLK-WHOHXGKFSA-N 320.393 -0.205 30 20 DBED C=C[C@@](C)(CC)C(=O)N1C[C@H]2[C@H](NC(=O)c3nnn(C)n3)[C@H]2C1 976993852 KUKBJNMRLMYYJN-SQYUCLKFSA-N 318.381 -0.001 30 20 DBED C#CCCN1C[C@@H](NC(=O)Cn2c(O)nnc2O)C(C)(C)C1 977510326 CSDTWCOZXQWZJK-SNVBAGLBSA-N 307.354 -0.461 30 20 DBED N#CCN1C[C@H]2C[C@H](NC(=O)CN3CCOCC3=O)CC[C@H]2C1 979796626 NUKBOTYNLGVXAH-BFHYXJOUSA-N 320.393 -0.415 30 20 DBED N#Cc1cc(C(=O)N2C[C@@H]3CC[C@@H](NC(=O)C(N)=O)[C@H]3C2)c[nH]1 979821811 VJSVHTPHVXAZJB-KPXOXKRLSA-N 315.333 -0.662 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H](N(C)C(=O)c2nnn(C)n2)C1 984584298 GVRFABQPIFKDFB-NXEZZACHSA-N 305.342 -0.567 30 20 DBED N#Cc1ccc(C(=O)N2CC(NC(=O)c3cnsn3)C2)[nH]1 990332608 LNPCXSFWAVBOKP-UHFFFAOYSA-N 302.319 -0.008 30 20 DBED Cn1ncc(C(=O)NC2CN(C(=O)c3cc(C#N)c[nH]3)C2)c1N 990955688 OJAPOKSNMCMWGJ-UHFFFAOYSA-N 313.321 -0.544 30 20 DBED C=CCn1cc(C(=O)NC2CN(C(=O)[C@H]3CCCOC3)C2)nn1 991672582 BRJYACQUWWJJOL-NSHDSACASA-N 319.365 -0.169 30 20 DBED C=C1CC(C)(C(=O)NC2CN(C(=O)C3CC(=O)NC(=O)C3)C2)C1 999277488 JEXMJZPGFRKDRJ-UHFFFAOYSA-N 319.361 -0.278 30 20 DBED C[C@@H]1[C@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)CC(N)=O 1011590081 CBPAFRAJKYGLLI-PSASIEDQSA-N 303.322 -0.519 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@]2(NC(=O)C(N)=O)CCC[C@@H]12 1014418222 AFURQSFOVOTYJS-AZKPJATDSA-N 321.377 -0.297 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2cnon2)C1 1014780178 QQUXAOMVKFTMPD-JSGCOSHPSA-N 303.366 -0.142 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2C[C@@H](NCc3nnnn3C)C2)nc1 1022991077 WIUZOCZNLJNOBR-TXEJJXNPSA-N 311.349 -0.363 30 20 DBED O=C(N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O)c1ncccc1O 1023488378 FKMFCVGDRYFWCY-DGCLKSJQSA-N 315.329 -0.498 30 20 DBED C#CCCN1CC[C@@H](CNC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 1028707697 VNHLYMHDCYHLIU-JSGCOSHPSA-N 315.377 -0.173 30 20 DBED N#CCN1[C@H]2CC[C@H]1CN(C(=O)Cn1ccc(O)nc1=O)C2 1029382813 SKMABYUCGRDDBZ-QWRGUYRKSA-N 303.322 -0.852 30 20 DBED C=CCN1[C@H]2CC[C@H]1CN(C(=O)C1CC3(C1)NC(=O)NC3=O)C2 1029512261 RYBFUQGTNSSAHQ-SLMGRZLQSA-N 318.377 -0.164 30 20 DBED C=CCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@@]1(C)CCS(=O)(=O)N1 1032753520 WGKGZQDUTWHNPB-SGMGOOAPSA-N 313.423 -0.071 30 20 DBED CN(C(=O)c1ccc(-n2cnnn2)cn1)[C@H]1CCN(CC#N)C1 1033295825 NNKDMXZBKLPPAF-LBPRGKRZSA-N 312.337 -0.273 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@@H]3[C@H](CCN3CC(N)=O)C2)[nH]1 1036691190 LVLRKHZOMTYAJG-ZWNOBZJWSA-N 301.350 -0.092 30 20 DBED CN1CCN(CC(=O)N2CC[C@@H]3[C@@H](CCN3CC#N)C2)CC1=O 1036753329 OVACVQJFRQVVPJ-UONOGXRCSA-N 319.409 -0.793 30 20 DBED Cn1c(C(=O)N[C@H]2[C@H]3C[C@H]2N(CC#N)C3)c2n(c1=O)CCCC2 1037586578 IARCCJVLQRFBHQ-UHTWSYAYSA-N 315.377 -0.151 30 20 DBED CC[C@@H]1CN(C(=O)C2CC(=O)NC(=O)C2)CC[C@@H]1NCC#N 1037944102 DTLHPMDOAUMRHK-PWSUYJOCSA-N 306.366 -0.221 30 20 DBED CC(=O)N[C@@H](C)C(=O)N1CC[C@](O)(CNC(=O)C#CC(C)C)C1 1039664479 QTODKHZTPPKMOR-LRDDRELGSA-N 323.393 -0.750 30 20 DBED C#CCN1CC[C@@]2(CCN(C(=O)C[C@H]3CC(=O)NC3=O)C2)C1 1041861837 URARBAOCFXXMKP-MLGOLLRUSA-N 303.362 -0.403 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)c2ccncc2F)C1 1042272756 IMJFTEIJQJIILB-UHFFFAOYSA-N 323.324 -0.274 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)COCCOCC)C1 1043436700 LCCTVXLXMVQXCI-UHFFFAOYSA-N 314.382 -0.305 30 20 DBED Cc1nonc1C(=O)NCC1(O)CN(C(=O)C#CC(C)C)C1 1043717167 KUAQJMKNOLURLI-UHFFFAOYSA-N 306.322 -0.659 30 20 DBED C#CCCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCNC2=O)C1 1044444915 WRSYIJHSDBCNSX-GFCCVEGCSA-N 321.377 -0.994 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)CN2CCCC2)C1 1044479031 RBNRIHZNFPEQRU-UHFFFAOYSA-N 309.410 -0.016 30 20 DBED C[C@H]1C[C@@H](NCC#N)CCN1C(=O)Cn1ccc(O)nc1=O 1044667961 QKLBCPBKXFEZKP-QWRGUYRKSA-N 305.338 -0.558 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)C[C@@H](C)n2cccn2)C1 1045553005 ZCZTWDZVWWPJIE-VXGBXAGGSA-N 319.365 -0.317 30 20 DBED CC(C)[C@@H]1CCO[C@@H]1C(=O)N1CC(O)(CNC(=O)[C@@H](C)C#N)C1 1045559596 MRVXEIIKVNSHOW-AVGNSLFASA-N 323.393 -0.103 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)Cc2cn(C)nc2C)C1 1047409693 SLDXPUKHVXRDQQ-GJZGRUSLSA-N 304.394 -0.202 30 20 DBED Cc1ccn(CC(=O)N(C)[C@H]2CN(CC#N)C[C@@H]2O)c(=O)c1 1047550172 RTPYPIPOKNWHDE-STQMWFEESA-N 304.350 -0.816 30 20 DBED C=CCOCC(=O)N(C)[C@H]1CN(C(=O)c2cnco2)C[C@@H]1O 1048558853 ZJMSRMKGMFYRPF-QWRGUYRKSA-N 309.322 -0.479 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)n2cncn2)C1 1048702313 SKABVRVLCJUIKJ-AGIUHOORSA-N 321.381 -0.165 30 20 DBED C#CCN1CCC(C(=O)N2C[C@@H]3CN(CC(N)=O)C[C@@H]3C2)CC1 1049235853 XPUGGLHPVIMKQK-GASCZTMLSA-N 318.421 -0.793 30 20 DBED N#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)CC[C@H]1NC(=O)NC1=O 1049882769 DYOHQQPRMHIJDH-IJLUTSLNSA-N 319.365 -0.437 30 20 DBED C[C@@H]1[C@@H](NC(=O)[C@H]2CCC(=O)N2)CCN1c1cncc(C#N)n1 1050095773 CBQRFTRFYIJQTL-ADEWGFFLSA-N 314.349 -0.290 30 20 DBED CC#CCN1CCOC[C@H]1CNC(=O)c1ccn2nnnc2c1 1051061215 OKFNVMSQRGEUPJ-CYBMUJFWSA-N 314.349 -0.422 30 20 DBED C=CCN1CC[C@@H](N2CCC[C@@H](NC(=O)C(N)=O)CC2)C1=O 1052675116 WRXOVXTWPWXXFP-VXGBXAGGSA-N 308.382 -0.771 30 20 DBED COCc1nocc1C(=O)N1CCOC2(CN(CC#N)C2)C1 1053506241 XFCKOFGEBRNBLG-UHFFFAOYSA-N 306.322 -0.129 30 20 DBED C[C@@H](C(N)=O)N1CC2(C[C@H](NC(=O)c3c[nH]c(C#N)c3)CO2)C1 1053778533 CYCNVTGOSFZNJK-CABZTGNLSA-N 317.349 -0.667 30 20 DBED COCCn1ccc(C(=O)N[C@H]2COC3(C2)CN(CC#N)C3)n1 1053867869 VHZDMXWOIJIEJA-GFCCVEGCSA-N 319.365 -0.374 30 20 DBED COc1cncc(C(=O)N[C@H]2COC3(C2)CN(CC#N)C3)n1 1053946571 YDZLPXFPZXSERG-SNVBAGLBSA-N 303.322 -0.418 30 20 DBED N#CCN1CC[C@]2(CCCN(C(=O)C3CS(=O)(=O)C3)C2)C1 1054138311 NQDNJJLYFPDEAJ-CQSZACIVSA-N 311.407 -0.131 30 20 DBED N#CCN1CC[C@]2(CCCN(C(=O)C[C@H]3CC(=O)NC3=O)C2)C1 1054250705 ZOWQWFKODNKHLL-MLGOLLRUSA-N 318.377 -0.123 30 20 DBED COCCC(=O)N1CCC[C@@](CO)(NC(=O)C#CC2CC2)C1 1055938949 OGTOGUVHRJWMLF-MRXNPFEDSA-N 308.378 -0.094 30 20 DBED N#Cc1ccc(N[C@@H]2CCN(C(=O)[C@H]3CCCNC3=O)C2)nn1 1056721393 MMAYGYYJLGPLPW-NEPJUHHUSA-N 314.349 -0.113 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCN(CCO)C(=O)C=C(C)C 1056882828 WJGFJNPTFKPTEE-HNNXBMFYSA-N 321.421 -0.013 30 20 DBED C[C@@H]1CN(C)C[C@H]1C(=O)NCCN(CCO)C(=O)C#CC1CC1 1057535580 BXJWZYPYUJCKHR-UKRRQHHQSA-N 321.421 -0.465 30 20 DBED CS(=O)(=O)CC(=O)N1CCC[C@H](N=c2cc[nH]cc2C#N)C1 1057577411 NKRBWFGLXZAIEC-LBPRGKRZSA-N 322.390 -0.177 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1C[C@@H](NC(=O)C2CS(=O)(=O)C2)C1 1059726767 RDIRHSSWWIMRTD-TXEJJXNPSA-N 320.374 -0.521 30 20 DBED C#Cc1cncc(C(=O)N2CC[C@H](CCNC(=O)C(N)=O)C2)c1 1060374040 PYYWPDCAKBQLRM-LBPRGKRZSA-N 314.345 -0.483 30 20 DBED CO[C@@H](C)C(=O)N1CCOC[C@H]1CNC(=O)CSCC#N 1061318477 UJKMUBGCGJALLL-WDEREUQCSA-N 315.395 -0.378 30 20 DBED C=CCCC(=O)NC[C@H]1COCCN1C(=O)CC(=O)NCC 1061406483 JTHYJJOWXUYKLS-LBPRGKRZSA-N 311.382 -0.178 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H]1COCCN1C(=O)CCC 1061515984 QVMYZKDZSYMBFQ-LBPRGKRZSA-N 309.366 -0.730 30 20 DBED C=CCOCC(=O)N1CCOC[C@H]1CNC(=O)[C@@H]1[C@H]2COC[C@H]21 1061787450 VUZTXCYEPPUCMN-CXTNEJHOSA-N 324.377 -0.575 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)c1csc(O)n1 1061850447 GOQKVXDLZZLRSF-BDAKNGLRSA-N 324.362 -0.034 30 20 DBED CN(C(=O)[C@@H]1COC(=O)N1)[C@H]1CCN(c2ccnc(C#N)n2)C1 1062928402 IHMLGSXRDOOHMO-UWVGGRQHSA-N 316.321 -0.506 30 20 DBED N#Cc1nccnc1N1C[C@H]2C[C@H]1[C@H]2NC(=O)c1nccnc1N 1064225873 RVGCZTNYFRTEQM-MIMYLULJSA-N 322.332 -0.272 30 20 DBED N#Cc1sc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)C(N)=O)nc1Cl 1064337455 XWHWVBYAYAPHLT-ZDLURKLDSA-N 311.754 -0.153 30 20 DBED CC#CCCCC(=O)NC[C@H]1CN(C(=O)CC(=O)NC)CCO1 1065078133 CVXHZZZBQMSNIQ-ZDUSSCGKSA-N 323.393 -0.340 30 20 DBED C#CCCCC(=O)N(C)CCCN(C)C(=O)Cn1ncnn1 1067286600 AVSCCTBSUXBVRC-UHFFFAOYSA-N 306.370 -0.217 30 20 DBED N#Cc1c[nH]ccc1=NCC1CC(NC(=O)[C@H]2C[C@H]2C(N)=O)C1 1067886546 PRFCYQSYOJUJQK-BVIDSFGJSA-N 313.361 -0.197 30 20 DBED Cn1nncc1C(=O)NCC1[C@@H]2CN(c3cncc(C#N)n3)C[C@@H]12 1068172823 WWMPJJDHXXGSMH-RYUDHWBXSA-N 324.348 -0.411 30 20 DBED Cc1nn[nH]c1C(=O)NC[C@H]1[C@@H]2CN(c3cncc(C#N)n3)C[C@H]12 1068192735 PQEZNULGLQXISS-CNDDSTCGSA-N 324.348 -0.113 30 20 DBED C=CC(C)(C)CC(=O)N1CC2(C[C@@H](NC(=O)C(N)=O)CO2)C1 1068992622 MFKILGMPZMCREO-SNVBAGLBSA-N 309.366 -0.440 30 20 DBED N#Cc1cncc(N2CC[C@@]3(NC(=O)C(N)=O)CCC[C@H]23)n1 1069281753 BJCGPVPPADPAMG-HZMBPMFUSA-N 300.322 -0.549 30 20 DBED CC#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2cn(C)nn2)C1 1069920453 NVMKLPBMTOZVQE-YPMHNXCESA-N 314.353 -0.915 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H]2CCC(=O)N2C)C1 1070007152 WSIDKTWIYBLVJI-UPJWGTAASA-N 318.381 -0.574 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2n[nH]cc2F)C1 1070018263 AZLXPIAPZGYVCB-MNOVXSKESA-N 305.317 -0.018 30 20 DBED Cn1cnc(C(=O)NCc2c[nH]nc2[C@@H]2CCN(CC#N)C2)n1 1070408668 YNMKPUUNKMBCMQ-SNVBAGLBSA-N 314.353 -0.219 30 20 DBED C#CCCN1C[C@H]2C[C@H]3CN(C(=O)Cn4nccn4)C[C@@]3(C1)O2 1070806267 HTZFMCXFSRUNMN-SQWLQELKSA-N 315.377 -0.397 30 20 DBED N#CCN[C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2COCCO2)CC1 1071039723 OFYSZJUHLVZLFW-KFWWJZLASA-N 323.393 -0.089 30 20 DBED N#CCN1CCN([C@@H]2CCCN(C(=O)[C@H]3CCCO3)C2)C(=O)C1 1071253363 KHRDAARLEKNZKY-ZIAGYGMSSA-N 320.393 -0.176 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCCN(C(=O)Cn2cncn2)C1 1071372044 CDLJLQYDDBQPFE-CYBMUJFWSA-N 319.365 -0.575 30 20 DBED C#CCCN1C[C@@H](NC(=O)c2nnc(O)nc2O)CC[C@H]1C 1071647066 DNSPTBKAWOMYOS-ZJUUUORDSA-N 305.338 -0.111 30 20 DBED C=CCOCC(=O)N[C@H]1CN(C(=O)CCNC(N)=O)C[C@H]1C 1072067068 RADODBVVGJMRJJ-MNOVXSKESA-N 312.370 -0.790 30 20 DBED C#Cc1cncc(C(=O)NC[C@H]2CN(CC(N)=O)CCCO2)c1 1073763186 YABBGSGCUQNUOM-AWEZNQCLSA-N 316.361 -0.631 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)[C@@H]2CCCN2C(C)=O)C1 1073863119 GNVILXLOJNZCHM-GJZGRUSLSA-N 307.394 -0.162 30 20 DBED Cn1oc(C(=O)N2CC[C@H]3OCCN(CC#N)[C@@H]3C2)cc1=O 1074226007 JMVKEFKPYUFVQI-GHMZBOCLSA-N 306.322 -0.583 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H](C)CCNC(=O)[C@H]1CCC(=O)N1 1075929996 RLIWMYZUPATARA-SDDRHHMPSA-N 309.366 -0.686 30 20 DBED CC#CCN1C[C@@H]2CCN(C(=O)Cn3ccc(O)nc3=O)[C@@H]2C1 1076001760 DABXHBQXSBBUEG-QWHCGFSZSA-N 316.361 -0.495 30 20 DBED C#CCO[C@H](C)C(=O)NCC[C@H](C)NC(=O)C1(C(=O)NC)CC1 1076507629 OSHUALAFKKWKQT-NWDGAFQWSA-N 323.393 -0.438 30 20 DBED CN1CCC[C@H]1c1cc(C(=O)N[C@@H]2CN(CC#N)C[C@H]2O)n[nH]1 1077034332 SVTXMQIBAUIHMU-HZSPNIEDSA-N 318.381 -0.525 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2COCCN2CCCC)C1 1077444235 QLOSDAMJKTUODS-OWCLPIDISA-N 323.437 -0.328 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3nnnn3CC2)C1 1077705511 TWOHXDOCUDDPAS-YNEHKIRRSA-N 320.397 -0.637 30 20 DBED C=CCCOCC(=O)N[C@@H](C)CCNC(=O)c1nnn(C)n1 1077880528 GJJCNDZRMKZONV-JTQLQIEISA-N 310.358 -0.573 30 20 DBED CCN(C(=O)C1(NC(N)=O)CC1)C1CN(C(=O)C#CC2CC2)C1 1079637825 NHUGLZGFFFWJOW-UHFFFAOYSA-N 318.377 -0.340 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1NC(=O)Cn1nnc(-c2ccco2)n1 1080017572 OJEMEUMPLHILEH-GHMZBOCLSA-N 315.337 -0.107 30 20 DBED C=CCCC(=O)N1C[C@H](CNC(=O)c2ccnn2C)[C@@H](O)C1 1081321151 MCCSTINBJOUZHX-AAEUAGOBSA-N 306.366 -0.065 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(C(=O)c2cc[nH]n2)C[C@H]1O 1081468631 MFIAGIMTPONQTJ-WCQYABFASA-N 302.334 -0.628 30 20 DBED C=CCCOCC(=O)N1C[C@H](CNC(=O)c2cnon2)[C@@H](O)C1 1081684377 FOLDBEPPZKIVFL-JQWIXIFHSA-N 324.337 -0.789 30 20 DBED C=C(C)CN1C[C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)[C@H](OC)C1 1082374681 MGUSNKBYWBRGOF-IJLUTSLNSA-N 317.411 -0.930 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2COCCN2C)C1 1083416810 VAIUOBOTLGSWGR-WOPDTQHZSA-N 303.790 -0.769 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)C[C@H]2CCCS(=O)(=O)C2)C1 1083928447 VDSGXXDCBKDNFM-UPJWGTAASA-N 316.423 -0.451 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)Cc2csc(COC)n2)C1 1083932110 PYGFHMSPHAIEPZ-NEPJUHHUSA-N 309.391 -0.374 30 20 DBED C=CCN1CC[C@H](N[C@H]2C[C@@H](CNC(=O)c3nc[nH]n3)C2)C1=O 1086227928 MXPQDPZLMRWDIZ-TUAOUCFPSA-N 318.381 -0.310 30 20 DBED C#CCN1CCC(C(=O)NC[C@H]2C[C@@H](N[C@@H](C)C(N)=O)C2)CC1 1086278029 DSZYNXJDBWTGFI-KCQAQPDRSA-N 320.437 -0.310 30 20 DBED C[C@H]1CC[C@@H](NC(=O)CC(N)=O)CN1c1ccc(C#N)nn1 1089128032 UVNDWVYEJNWJDK-GXSJLCMTSA-N 302.338 -0.303 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2ccc3nc(O)[nH]c3n2)[C@@H](O)C1 1090524359 ZBDFHRANIQFJDC-SKDRFNHKSA-N 315.333 -0.538 30 20 DBED Cc1c[nH]c(CC(N)=O)c1C(=O)N[C@H]1CCN(CC#N)C[C@H]1O 1090582534 CJMDWWWDHOCWAY-CMPLNLGQSA-N 319.365 -0.961 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2nn(CC)nc2C)[C@@H](O)C1 1090851245 AXOZIONLBSFZLD-OLZOCXBDSA-N 305.382 -0.205 30 20 DBED N#Cc1cccnc1NC1CC(CNC(=O)Cn2ncnn2)C1 1092241564 VMVBJLMVVZCXQU-UHFFFAOYSA-N 312.337 -0.053 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)[C@@H]3[C@H]4COC[C@H]43)c3nccn32)C1 1092387301 VFTDTRWGDQGODW-XQHKEYJVSA-N 313.361 -0.129 30 20 DBED CC#CCN1C[C@@H](C)[C@H](CNC(=O)c2cn(C)c(=O)nc2O)C1 1093190589 DHFXSNQKLOLHBK-VXGBXAGGSA-N 318.377 -0.193 30 20 DBED C#CCO[C@@H](C)C(=O)NCCNc1ncnc2c1ncn2C 1093878018 CXENGGGMKNTIMW-JTQLQIEISA-N 302.338 -0.070 30 20 DBED CCc1nc(C#N)cc(NCCNC(=O)[C@@]2(C)CCNC2=O)n1 1094135209 FVRKGSYHKJYJQG-HNNXBMFYSA-N 316.365 -0.035 30 20 DBED CN1CC[C@@H](C(=O)NCCCNc2nccnc2C#N)C1=O 1094704540 AQPDRYKMLQVZCA-JTQLQIEISA-N 302.338 -0.255 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)[C@H]3CCCNC3=O)CC2=O)C1 1094747408 ROHXBWNBQXVTSA-AAEUAGOBSA-N 320.393 -0.900 30 20 DBED C[C@H](NC(N)=O)C(=O)N[C@@H]1CCN(c2ccc(C#N)cn2)C1 1096356602 WZZJRRWQWQCNOU-GXSJLCMTSA-N 302.338 -0.295 30 20 DBED C[C@H](CNC(=O)[C@H]1CCNC(=O)C1)N=c1cc[nH]cc1C#N 1097774261 PGMZNKCBPRZVGH-MNOVXSKESA-N 301.350 -0.182 30 20 DBED C[C@H](CNC(=O)[C@]1(C)CCNC1=O)Nc1cnc(C#N)cn1 1098261828 SYMJBIDFOFNIDG-YMTOWFKASA-N 302.338 -0.209 30 20 DBED C[C@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)Nc1ncccc1C#N 1098305407 VYYHZXYCMCFHOG-SCZZXKLOSA-N 316.321 -0.532 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCN(Cc2cnsn2)C[C@@H]1O 1099833221 SPSHZBQUSHAUAP-OLZOCXBDSA-N 324.406 -0.371 30 20 DBED C=CCN1CC[C@@H](NC(=O)CCCN2C(=O)CCC2=O)[C@H](O)C1 1099864464 SIEPXFSCLWTBGL-CHWSQXEVSA-N 323.393 -0.347 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2[nH]c(O)nc2C)[C@@H](O)C1 1099885426 MUOAAHQAVTXEMC-NEPJUHHUSA-N 322.365 -0.761 30 20 DBED CN1CC[C@@H](CC(=O)NCCN(C)c2cnc(C#N)cn2)C1=O 1100190826 KTLJMVHAACMYEC-NSHDSACASA-N 316.365 -0.231 30 20 DBED CN(CCNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc(C#N)nn1 1100227125 HEEGMIGHJMLJTO-JTQLQIEISA-N 323.378 -0.665 30 20 DBED CCN(CCNC(=O)Cn1cnnc1O)c1ccc(C#N)nn1 1100497745 BFLHMLVRDAZQRK-UHFFFAOYSA-N 316.325 -0.712 30 20 DBED CCC[C@H](OC)C(=O)NCC1CC(NCC(=O)NCC#N)C1 1100560367 DVKICJPAFRTYJS-BPCQOVAHSA-N 310.398 -0.074 30 20 DBED C[C@@H](CS(C)(=O)=O)C(=O)N1C[C@H]2CN(CC#N)C[C@@]2(C)C1 1101479303 IWBLHBZGGPXNKS-SCRDCRAPSA-N 313.423 -0.029 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1CNC(=O)C(=O)C(C)(C)C 1101824701 AVYRHUQEJONMES-VXGBXAGGSA-N 322.409 -0.075 30 20 DBED CC[C@@H](CNC(=O)[C@H]1CCNC1=O)N=c1cc[nH]cc1C#N 1103260060 YZKVKKNAWQKLTQ-RYUDHWBXSA-N 301.350 -0.182 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1)CNc1nccnc1C#N 1104034898 PPBHWVZYLIDELA-ZJUUUORDSA-N 302.338 -0.209 30 20 DBED C[C@H](CNc1cnc(C#N)cn1)N(C)C(=O)CCNC(N)=O 1104565563 TZFIVDQZOWLOKL-SECBINFHSA-N 305.342 -0.335 30 20 DBED C#CCNCc1cn(C2CN(C(=O)c3cc(C)n(C)n3)C2)nn1 1105176369 JABREBLLLKRZKX-UHFFFAOYSA-N 313.365 -0.260 30 20 DBED C=CCNCc1cn(C2CN(C(=O)C[C@@H]3CCNC3=O)C2)nn1 1105256823 UOTFAQORACKPDI-NSHDSACASA-N 318.381 -0.537 30 20 DBED C#CCNCc1cn(C2CN(C(=O)CN(C)C(C)C)C2)nn1 1105377029 OIRKXCCRYNYWPQ-UHFFFAOYSA-N 304.398 -0.276 30 20 DBED CNC(=O)C1(C(=O)N(C)CCN(C)c2ccc(C#N)nn2)CC1 1105431856 ZTWQMGUCWMVRTI-UHFFFAOYSA-N 316.365 -0.231 30 20 DBED CN(CCN(C)c1nccnc1C#N)C(=O)[C@@H]1CCC(=O)N1 1105440353 RIHNXSURCZHUEI-JTQLQIEISA-N 302.338 -0.479 30 20 DBED CCc1nc(C#N)cc(NC[C@H](O)CNC(=O)[C@@H](C)OC)n1 1105731630 DSYCWCJYFMZZPO-KOLCDFICSA-N 307.354 -0.165 30 20 DBED CCn1nccc1C(=O)NC[C@H](O)CNc1cnc(C#N)cn1 1105800563 TXXLROBZHAQVBD-LLVKDONJSA-N 315.337 -0.233 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@H](O)CNc1nccc(OC)n1 1105805625 FJEABPZLEHROLL-IINYFYTJSA-N 310.354 -0.299 30 20 DBED CO[C@@H](C(=O)NC[C@@H](O)CN=c1cc[nH]cc1C#N)C1CC1 1105834534 ZOLHEYYBFZHJFP-GXTWGEPZSA-N 304.350 -0.311 30 20 DBED CN1CC[C@H](CC(=O)NC[C@@H](O)CNc2nccnc2C#N)C1 1105914332 UIOQFLSUASQCRA-VXGBXAGGSA-N 318.381 -0.421 30 20 DBED CCNC(=O)NC(=O)CNC[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1C 1105946174 MYOIHQFENRQMFU-QJPTWQEYSA-N 323.397 -0.324 30 20 DBED C=CCNC[C@@H]1CN(C(=O)CN2CCC(=O)NC2=O)C[C@H]1C 1106843977 PRNODYXOBIPNPK-VXGBXAGGSA-N 308.382 -0.202 30 20 DBED C=CCC[C@H](C)N1CC(n2cc(CNC(=O)CC(N)=O)nn2)C1 1107153231 YUBGKEXPSOPAFA-NSHDSACASA-N 320.397 -0.019 30 20 DBED COCCO[C@H](C)C(=O)NC/C=C\CN=c1cc[nH]c(C#N)n1 1107338234 RJZYZJOYIPCMQH-VSQXVHSFSA-N 319.365 -0.094 30 20 DBED CN1C[C@@H](C(=O)NC/C=C\CNc2cnc(C#N)cn2)CC1=O 1107569033 VDNRUIFZTKKXCF-QUCGXOGASA-N 314.349 -0.089 30 20 DBED C[C@H](C#N)C(=O)NC[C@]1(C)CN(Cc2nnnn2C)CCO1 1107818903 IDZXRMGKJVGVOR-ZWNOBZJWSA-N 307.358 -0.923 30 20 DBED Cc1cc(C#N)nc(NC[C@H](C)NC(=O)[C@@H]2CN(C)CCO2)n1 1108303423 RHNPASJGUHUUSS-AAEUAGOBSA-N 318.381 -0.096 30 20 DBED CC(C)C[C@@H](C(N)=O)C(=O)NC[C@@]1(C)CN(CC#N)CCO1 1108446137 YJSOQVSFYZOVOF-WFASDCNBSA-N 310.398 -0.135 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)C3(COCC)CC3)CC2=O)C1 1108553145 HGHRDKFZSBMFBE-CYBMUJFWSA-N 319.405 -0.162 30 20 DBED C[C@@H](CNc1cncc(C#N)n1)NC(=O)C(=O)NCC(F)F 1108599697 QQDVBVXLRDLXPX-ZETCQYMHSA-N 312.280 -0.354 30 20 DBED C#CCN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)COCc1ncnn1C)C2 1108789682 ONVMGNVFMMCLHJ-IHRRRGAJSA-N 317.393 -0.066 30 20 DBED COC[C@H](OC)C(=O)N[C@@H](C)CN(C)c1cncc(C#N)n1 1109220256 VQZGINHTBOAAKK-JQWIXIFHSA-N 307.354 -0.049 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H](NC(=O)[C@@H]1COC(=O)N1)C1CC1 1109832384 FRFKPMMLFILLLM-OLZOCXBDSA-N 315.333 -0.210 30 20 DBED CC(=O)NCC(=O)NCC1(N=c2cc(C)[nH]cc2C#N)CC1 1110046711 RKCAHWOOMMGYRZ-UHFFFAOYSA-N 301.350 -0.120 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CS(C)(=O)=O 1110350898 TXRBXSMILUAARJ-UPJWGTAASA-N 314.407 -0.598 30 20 DBED COCC(=O)NC[C@]1(O)CCN(c2nc(C)ccc2C#N)C1 1111033800 YWYCWOPQVYSFBQ-OAHLLOKOSA-N 304.350 -0.035 30 20 DBED C=CCOCC(=O)NC[C@]1(O)CCN(c2cnc(C#N)cn2)C1 1111039552 JWJNYCKMRMPBRX-OAHLLOKOSA-N 317.349 -0.392 30 20 DBED Cc1cc(C(=O)N(CCO)CCN=c2cc[nH]c(C#N)n2)no1 1111412824 HDCBUDBLCAFLLG-UHFFFAOYSA-N 316.321 -0.387 30 20 DBED CN(CCCN(C)c1ccnc(C#N)n1)C(=O)[C@@H]1CNC(=O)N1 1112168400 MNXPOCLEVPQSIT-JTQLQIEISA-N 317.353 -0.686 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)c2nccnc2N)CC1 1112721934 WKFXVHOREHTMNS-NSHDSACASA-N 318.381 -0.493 30 20 DBED COCC#CCN1CCN(C(=O)[C@@H]2CCS(=O)(=O)C2)CC1 1113080817 SNAVZTLFHFGSBB-CYBMUJFWSA-N 314.407 -0.785 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)c2c[nH]nc2C)CC1 1113176800 SBPUYAJYWQPETP-LBPRGKRZSA-N 303.366 -0.386 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)CCc2cnn[nH]2)CC1 1113357882 TVMACXMFVOYGAZ-LBPRGKRZSA-N 318.381 -0.981 30 20 DBED CC(C)C#CC(=O)N[C@H]1[C@@H]2CN(CCNS(C)(=O)=O)C[C@@H]21 1114247522 LVUKATMFQQJSSD-IMRBUKKESA-N 313.423 -0.759 30 20 DBED C=CCCN1C[C@H]2[C@H](NC(=O)CCNS(C)(=O)=O)[C@H]2C1 1114361378 MTGHLCOMEVYGJC-PJXYFTJBSA-N 301.412 -0.452 30 20 DBED N#Cc1nccc(N2C[C@H]3C(CNC(=O)Cc4nc[nH]n4)[C@@H]3C2)n1 1114570899 AGXZTKFDZCWNSB-QWRGUYRKSA-N 324.348 -0.493 30 20 DBED CS(=O)(=O)CC(=O)N[C@H]1C[C@H](CNc2cnc(C#N)cn2)C1 1114740264 IJXKJKDHOZGHIR-MGCOHNPYSA-N 323.378 -0.300 30 20 DBED CO[C@@H](CC(C)C)C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1114803684 MPVWLWLFEWCTDY-SFDCQRBFSA-N 322.409 -0.266 30 20 DBED C#Cc1ccc(C(=O)NC2[C@H]3CN(CCOCCO)C[C@H]23)cn1 1115139930 NMPJKNXWNMZDQP-GJZGRUSLSA-N 315.373 -0.268 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@H]3CCN(C)C3)[C@H]2C1 1115242284 YQBDBFLQHMQEPI-RMRHIDDWSA-N 306.410 -0.713 30 20 DBED CCN1CCN(C[C@@H](C)CNC(=O)C(=O)NCCCC#N)CC1 1117085607 IOLZUZZYQUBWLD-AWEZNQCLSA-N 323.441 -0.204 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)NCc1ncnn1C(C)(C)C 1117580120 BHCOXWFBODSAHU-JTQLQIEISA-N 309.370 -0.034 30 20 DBED C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)[C@H]1CCO 1118472662 SGWSBTJFLFUVLA-DVOMOZLQSA-N 323.393 -0.127 30 20 DBED C[C@H](C#N)CN(C)C(=O)C(=O)c1cc(S(N)(=O)=O)cn1C 1118623560 BADGTKVZQXRASC-MRVPVSSYSA-N 312.351 -0.527 30 20 DBED C[C@H](CN(C)C(=O)[C@@H]1CNC(=O)N1)Nc1ccc(C#N)nc1 1120634459 MHDCOUQRSAFLRH-SKDRFNHKSA-N 302.338 -0.107 30 20 DBED CNC(=O)NCC(=O)N(C)C[C@@H](C)Nc1nc(C)cc(C#N)n1 1120816526 FCHBKAHKKCVBDM-SNVBAGLBSA-N 319.369 -0.156 30 20 DBED Cc1c(C(=O)NC[C@@H](CO)N=c2cc[nH]c(C#N)n2)cnn1C 1121043050 GMGCPFUBLHMLBD-JTQLQIEISA-N 315.337 -0.985 30 20 DBED C=CCOCC(=O)NC[C@@H](CO)Nc1nc(C)cc(C#N)n1 1121325434 ZZNUNXYQEWCWHP-LBPRGKRZSA-N 305.338 -0.252 30 20 DBED N#Cc1cncc(N[C@H](CO)CNC(=O)C[C@H]2CCOC2)n1 1121398217 GIKYPJDXPSZCGZ-PWSUYJOCSA-N 305.338 -0.336 30 20 DBED Cc1[nH]nc(C(=O)NC[C@H](CO)Nc2ccc(C#N)nn2)c1O 1121456013 UJIJKXVHUPRXJC-SECBINFHSA-N 317.309 -0.712 30 20 DBED C#Cc1ccc(C(=O)NC[C@H](CO)Nc2cnc(C#N)cn2)cn1 1121848407 XPGXEMRAVXVGDW-CQSZACIVSA-N 322.328 -0.073 30 20 DBED N#Cc1nccc(N2CC[C@]3(NC(=O)CC(N)=O)CCC[C@H]23)n1 1123394469 PGELAOLZRCDEQA-ZUZCIYMTSA-N 314.349 -0.159 30 20 DBED Cc1cc(C#N)nc(NC[C@H](O)CN(C)C(=O)c2cnon2)n1 1124466072 GSYIUGWCMPPSNQ-JTQLQIEISA-N 317.309 -0.415 30 20 DBED CO[C@@]1(c2nnc(CNCCNC(=O)[C@H](C)C#N)o2)CCOC1 1124895132 DIZGTWMRGNZYKC-YGRLFVJLSA-N 323.353 -0.303 30 20 DBED CN(C[C@@H](O)CN(C)c1ccnc(C#N)n1)C(=O)[C@@H]1CCCO1 1124940604 WODDPCYDUNKMMC-RYUDHWBXSA-N 319.365 -0.217 30 20 DBED C#CCO[C@H](C)C(=O)NCCNCC(=O)N1CCC[C@H](C)C1 1127046001 KDYDIVLUXWGZQQ-UONOGXRCSA-N 309.410 -0.011 30 20 DBED CCOCC(=O)N[C@@H]1CCc2nnc(CNCC#N)n2CC1 1127924644 IJJQOWLEFJJKII-LLVKDONJSA-N 306.370 -0.251 30 20 DBED CNC(=O)NCC(=O)NCCNCc1cc(F)ccc1C#N 1128790702 XZGUWIWXCWPMRZ-UHFFFAOYSA-N 307.329 -0.168 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)COc2cc(C)on2)C1=O 1129915999 WJZVKIWHRAVUGM-LBPRGKRZSA-N 322.365 -0.145 30 20 DBED CC(C)C#CC(=O)NCc1nc([C@@H]2COCCN2CCO)n[nH]1 1130842111 DTOTVCGLZFLEBM-LBPRGKRZSA-N 321.381 -0.554 30 20 DBED C=C[C@@](C)(O)CC(=O)N1C[C@@H]2C[C@@H]3CN(CCO)C[C@]2(C1)O3 1131221113 ZEZSSXWWCVMOMV-SJXGUFTOSA-N 310.394 -0.393 30 20 DBED C#CCN1C[C@H](NC(=O)CCCS(N)(=O)=O)CC[C@H]1C 1132253411 UAPUPUMPPANNQV-VXGBXAGGSA-N 301.412 -0.343 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)C[C@@H](C)NCC(=O)NCCC 1134130126 CNVARLODDJVKDK-CHWSQXEVSA-N 324.425 -0.475 30 20 DBED Cc1c[nH]nc1C(=O)N[C@@H](C)C[C@H](C)NCC(=O)NCC#N 1134307519 MMSDGEDSUMDHMH-QWRGUYRKSA-N 306.370 -0.156 30 20 DBED C#CCN[C@H](C)C[C@H](C)NC(=O)CN(C)S(=O)(=O)N(C)C 1134353521 ZNPLPISPQNYONH-NEPJUHHUSA-N 318.443 -0.769 30 20 DBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCN[C@H]1CCC(=O)NC1=O 1135060897 KPEQAEDLBJPGIV-OBJOEFQTSA-N 323.393 -0.131 30 20 DBED C=CCOCCN1CCC2(C1)CN(C(=O)c1nnn(C)n1)C2 1148060239 ZDDZUGYBGYCDNJ-UHFFFAOYSA-N 306.370 -0.439 30 20 DBED COC[C@@]1(C(=O)NC[C@H]2CN(CC#N)CCCO2)CCOC1 1150036663 QIWWNAOVGVJMJX-ZFWWWQNUSA-N 311.382 -0.230 30 20 DBED C=CCCOCC(=O)NCCNCCCN1C(=O)CNC1=O 1153091662 YJJHKDGWYVQUMD-UHFFFAOYSA-N 312.370 -0.773 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1cccc2nnn(C)c12 1153900886 KZYHTXCGJFPOSP-UHFFFAOYSA-N 316.365 -0.410 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)c1ccnn1CC 1157040692 VESKFBRAJOUOSJ-LBPRGKRZSA-N 305.382 -0.250 30 20 DBED N#CCNC(=O)CNCCCNC(=O)c1cnc2n1CCC2 1160187111 XIEMAOZXSNSKOJ-UHFFFAOYSA-N 304.354 -0.821 30 20 DBED C#CCN1CCC(CNC(=O)CNC(=O)NC)(COC)CC1 1162292303 XUPQQELZIHELNX-UHFFFAOYSA-N 310.398 -0.607 30 20 DBED COC(=O)C1(C#N)CCN(C(=O)CN2CCN(C)CC2)CC1 1178951648 FNHZHFMUAMPAJG-UHFFFAOYSA-N 308.382 -0.461 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)Cc2cccnc2)C1 1182032046 APUDONBRBRWROH-UKRRQHHQSA-N 314.389 -0.048 30 20 DBED CNC(=O)NC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)C#CC(C)C)C1 1182407246 VZGILIVCWDUCNM-VXGBXAGGSA-N 308.382 -0.320 30 20 DBED C=CCn1cc(C(=O)N2CC[C@@H](NCC#CCOC)C2)nn1 1186178017 UROZPEOJRJTLHZ-CYBMUJFWSA-N 303.366 -0.082 30 20 DBED COCC#CCN1C[C@@H]2CCN(C(=O)[C@H]3COC(=O)N3)[C@@H]2C1 1187743032 KFIVUJLBPJNCDV-YNEHKIRRSA-N 307.350 -0.723 30 20 DBED C=C(C)CCN[C@@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 1188124987 HQLHFEBUXCYUAL-LLVKDONJSA-N 306.370 -0.466 30 20 DBED CNC(=O)NC(=O)[C@H](C)N(C)[C@H]1CCN(C(=O)C#CC2CC2)C1 1190076295 OJTLWNQZHNJJDS-AAEUAGOBSA-N 320.393 -0.223 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@@H](N(C)Cc2nnn(C)n2)C1 1190093995 GEKNSJXVBXUXGF-VXGBXAGGSA-N 306.370 -0.719 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 1190643320 ATAMFRKLAYIMFZ-AWEZNQCLSA-N 320.437 -0.247 30 20 DBED Cc1ccc(C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@H]2O)s1 1190676382 NPGMFRZXJPEYJJ-GHMZBOCLSA-N 322.390 -0.529 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)[C@H](CC)NC(C)=O)C1 1192473111 SRXUJOKMFRVGHX-KBPBESRZSA-N 322.409 -0.817 30 20 DBED CCCC[C@@H](C(N)=O)N1C[C@@H](O)[C@H](NC(=O)C#CC(C)C)C1 1192805297 XMTWTZQDSFAWIP-HZSPNIEDSA-N 309.410 -0.149 30 20 DBED CN(CC(=O)NCC#N)[C@@H]1CCN(C(=O)[C@]2(C)CCOC2)C1 1193056513 JUPFHGXDTDBFTA-IUODEOHRSA-N 308.382 -0.415 30 20 DBED C=CCOCC(=O)N1CCCN(CCN2C(=O)CNC2=O)CC1 1195283511 DIPUPDYGPDBJIP-UHFFFAOYSA-N 324.381 -0.725 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)c2c(C)n[nH]c2C)C1 1196969679 MNYXQXAUJPJVIX-CHWSQXEVSA-N 306.366 -0.549 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)c2cnoc2C2CC2)C1 1197411566 BXYWGKWUGREWEL-ZIAGYGMSSA-N 319.361 -0.023 30 20 DBED N#CCNC(=O)CN1CCCN(C(=O)c2cccnn2)CC1 1197528548 ZXEVITSYKLQENG-UHFFFAOYSA-N 302.338 -0.736 30 20 DBED C=CCNC(=O)[C@@H](C)NC1CCN(C(=O)CNC(=O)CC)CC1 1199847996 RTZOUUXBFJLAPZ-GFCCVEGCSA-N 324.425 -0.216 30 20 DBED C#CCNC(=O)[C@H](C)NC1CCN(C(=O)CC(=O)NCC)CC1 1200186556 BOBBKLNYGWDISE-LBPRGKRZSA-N 322.409 -0.769 30 20 DBED C#CCNC(=O)CNC[C@H]1CN(C(=O)[C@@H]2CC2(C)C)CCCO1 1200283650 RLVDFLYHUCJCEM-KBPBESRZSA-N 321.421 -0.011 30 20 DBED C#CCNC[C@@H]1CN(C(=O)c2cc(OC)ncn2)CCCO1 1200519260 FCXLRRDQFSMLSR-GFCCVEGCSA-N 304.350 -0.061 30 20 DBED C#CCCNC[C@H]1CN(C(=O)COCCN(C)C)CCCO1 1201864709 ZUBHCWHFZPUIBL-HNNXBMFYSA-N 311.426 -0.205 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)[C@@H](CC)OC)CC1 1204712121 YIIPHENQSLNLNL-CQSZACIVSA-N 309.410 -0.011 30 20 DBED C=C(C)CNCC1CCN(C(=O)CS(=O)(=O)NC)CC1 1206934610 UXOAUURZUBMQSM-UHFFFAOYSA-N 303.428 -0.060 30 20 DBED N#CCNC(=O)CN[C@H]1CCCN(C(=O)C[C@@H]2CCCO2)C1 1207453249 ZCQZOZWPCSQLMS-STQMWFEESA-N 308.382 -0.224 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)Cc2ccn(C)n2)C1 1208010252 HKLMPYKUMBXWLA-CQSZACIVSA-N 317.393 -0.707 30 20 DBED CO[C@@H]1CN([C@H]2CCNC2=O)C[C@H]1NC(=O)C#CC(C)(C)C 1212253335 CEVKRNUYXKWMBB-FRRDWIJNSA-N 307.394 -0.260 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2cnon2)C[C@H]1OC 1212262129 CNUNWZSFOPQMQW-CHWSQXEVSA-N 308.338 -0.575 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)CCNC(=O)[C@H]1CCCO1 1213985563 BIARKOXCYNHHJS-JHJVBQTASA-N 324.381 -0.989 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)c2cnn(C)c2C)C[C@H]1C 1214142133 NQRVWSCWKRIDAO-BXUZGUMPSA-N 317.393 -0.472 30 20 DBED COc1ccnc(CN2C[C@H](O)[C@H](NC(=O)[C@@H](C)C#N)C2)c1 1219378872 HGTAYUNCHYGHMD-GDLCADMTSA-N 304.350 -0.089 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@H](C)NC(=O)C2CCCC2)C1 1219684379 MZFLRTCKXGFQLE-CFVMTHIKSA-N 321.421 -0.134 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)[C@@]2(COC)CCOC2)C1 1220076318 WHOXGXITOSCRCP-MBNYWOFBSA-N 318.801 -0.047 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)CC2CC(C)(C)C2)C1 1220207768 UADBHAZVJYXRGP-KGLIPLIRSA-N 321.421 -0.277 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)C2(C)CCOCC2)C1 1220550559 YLJCYHUHKZPOEH-KGLIPLIRSA-N 310.394 -0.386 30 20 DBED N#CCN[C@@H]1CCCC[C@H]1NC(=O)CC[C@H]1NC(=O)NC1=O 1230097377 AEUOVISYWVAOQH-GMTAPVOTSA-N 307.354 -0.485 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@H]1CN(C)C(=O)CCOCC#C 1234246064 IGPPYFZFOQFORD-GJZGRUSLSA-N 319.405 -0.303 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N[C@@H]1CCC[C@@H]1C(=O)NC 1261151001 KKHWQTZUHOLERA-QWHCGFSZSA-N 303.362 -0.498 30 20 DBED C#CCNC(=O)CN1CCC[C@@H](NC(=O)c2coc(OC)n2)C1 1265219786 BUPZZDWJZMRPOL-LLVKDONJSA-N 320.349 -0.373 30 20 DBED C[C@@H]1CCCN1CCNC(=O)C(=O)Nc1cnn(CC#N)c1 1319560266 ZQMUYISXVINJSF-LLVKDONJSA-N 304.354 -0.054 30 20 DBED N#CCCNC(=O)C(=O)Nc1ccc(OCCC(N)=O)cc1 1321087151 KBGZQLTXFPHOPV-UHFFFAOYSA-N 304.306 -0.091 30 20 DBED C#CCNC(=O)C1CCN(S(=O)(=O)N(C)CCC#N)CC1 1321446645 RFUDHYFILZDZBF-UHFFFAOYSA-N 312.395 -0.462 30 20 DBED C#C[C@H](NC(=O)C(=O)NCCOC(F)(F)F)[C@@H]1CCCO1 1323495685 OCSSFUKMRFIENS-IUCAKERBSA-N 308.256 -0.064 30 20 DBED C#CCOCCN(C)[C@@H](C)C(=O)N[C@@H]1CCS(=O)(=O)C1 1324516458 OLSNKIDDNUMWSG-NWDGAFQWSA-N 302.396 -0.740 30 20 DBED C=C[C@@H](C)ONC(=O)C(=O)Nc1ccn(CC(=O)N(C)C)n1 1326483702 IXKKOGLRBSNTRO-SECBINFHSA-N 309.326 -0.468 30 20 DBED C[C@@](C#N)(NC(=O)COC(=O)C1(S(C)(=O)=O)CC1)C1CC1 1326893068 ZHIMVXYXACZNPS-LBPRGKRZSA-N 314.363 -0.085 30 20 DBED CS(=O)(=O)CCCNC(=O)C(=O)N1CCC[C@@H](CC#N)C1 1327906023 VCILMRUVEBYDNT-NSHDSACASA-N 315.395 -0.310 30 20 DBED C#CCN(C(=O)C(=O)N1CC[C@H]2NC(=O)CC[C@H]2C1)C(C)C 1335122776 NQNHWWQKMSWDKY-QWHCGFSZSA-N 305.378 -0.016 30 20 DBED C=CCn1cc(Cn2nnnc2N(C)C[C@@H]2COCCO2)nn1 1335938877 IBEVBYDXSQNKDB-GFCCVEGCSA-N 320.357 -0.650 30 20 DBED Cc1cccc(CCNC(=O)C(=O)N2CCO[C@H](C#N)C2)n1 1342017913 CBMWXTBFGVUHPB-CYBMUJFWSA-N 302.334 -0.200 30 20 DBED CC(C)(CNC(=O)C(=O)N1CCO[C@H](C#N)C1)CN1CCCC1 1342713574 MNGGLNOTLILSFH-CYBMUJFWSA-N 322.409 -0.024 30 20 DBED COCCCNC(=O)[C@H](C#N)C(=O)[C@H]1CCc2nnn(C)c2C1 1343386579 KOJUSJMQQWXLAS-WDEREUQCSA-N 319.365 -0.218 30 20 DBED C#CCOCCNC(=O)C(=O)NC[C@@H]1CC2(CCNCC2)CO1 1350021680 XKFFOTXOFSKBPX-ZDUSSCGKSA-N 323.393 -0.973 30 20 DBED C#CCSCCNC(=O)C(=O)NCCO[C@H]1CCOC1 1351311563 HOLBEROFLRGCEX-NSHDSACASA-N 300.380 -0.609 30 20 DBED C=CCNC(=O)Cn1nnnc1N1CC[C@H](N2CCCC2=O)C1 1352313731 BQIDSOXJFRBSDH-NSHDSACASA-N 319.369 -0.824 30 20 DBED N#Cc1ccc(F)c(CNC(=O)Cn2cnc(C(N)=O)n2)c1 1361734400 LQWMJEBIDOFQGQ-UHFFFAOYSA-N 302.269 -0.296 30 20 DBED C[C@H](C#N)C(=O)N(C)CCN1CCN([C@H](C)C(=O)N(C)C)CC1 1366853491 VMOXRLNQQIVQJT-ZIAGYGMSSA-N 323.441 -0.301 30 20 DBED C=C(Cl)CN[C@H](C)CN(C)C(=O)Cn1ncn(C)c1=O 1369267961 XRLJLOIJRFUZSW-SNVBAGLBSA-N 301.778 -0.229 30 20 DBED CN(C[C@@H](O)CNC(=O)c1ccc(C#N)[nH]1)C(=O)c1ccon1 1370965685 OUHSTMQROKXJFI-JTQLQIEISA-N 317.305 -0.263 30 20 DBED CNC(=O)NCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)C#N 1371570602 UNUBEDZIZNPZNA-GMTAPVOTSA-N 309.370 -0.381 30 20 DBED C=C(Cl)CNC[C@@H](O)CN(C)C(=O)c1c[nH]c(=O)cn1 1382419452 PQPOOGVFDDMCJC-SECBINFHSA-N 300.746 -0.455 30 20 DBED C[C@H](CNC(=O)[C@@H]1CC(=O)N(C)C1)NC(=O)c1cc(C#N)c[nH]1 1386308185 NEKCWUFABPGKJF-MWLCHTKSSA-N 317.349 -0.401 30 20 DBED N#Cc1ccc(C(=O)NC[C@H](O)CNC(=O)[C@H]2CCOC2)[nH]1 1389071050 AKMJIKIZRIFXPS-GXSJLCMTSA-N 306.322 -0.870 30 20 DBED COCCN(CCNC(=O)[C@H](C)C#N)C(=O)C[C@@H]1CCC(=O)N1 1405769374 LWKFITFSWHZGIK-NEPJUHHUSA-N 324.381 -0.594 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CN(C)C(=O)Cn2cnnn2)CC1 1409010532 FIAYOIBLCAWUAB-NSHDSACASA-N 319.369 -0.470 30 20 DBED COC(=O)NCC(=O)NC[C@@H](C)CNC(=O)c1c[nH]c(C#N)c1 1409652560 MRWZFWCEOQLZHG-SECBINFHSA-N 321.337 -0.276 30 20 DBED N#Cc1cn(CC(=O)N[C@@H]2CCN3CCC[C@@H]3C2)c(=O)nc1O 1411640865 FEMZDXBSQYRWAC-VXGBXAGGSA-N 317.349 -0.436 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@@H]1CC[C@H](C(N)=O)C1 1413369474 JNDAKUWSGMHMHW-GARJFASQSA-N 302.400 -0.044 30 20 DBED CN(Cc1nnc2n1CCC2)c1[nH]c(=O)n(C)c(=O)c1C#N 1413876869 GXMGSPXCVYHZPM-UHFFFAOYSA-N 301.310 -0.881 30 20 DBED CC(=O)NC1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)CC1 1414210331 RGMURGRUTRCPEK-GFCCVEGCSA-N 316.383 -0.944 30 20 DBED C[C@H](C#N)C(=O)N(C)C[C@H]1CCCN(C(=O)CCNC(N)=O)C1 1414904456 CLLWNFYUUQLABU-VXGBXAGGSA-N 323.397 -0.099 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](NC(=O)Cn1cnnn1)C1CCCC1 1417295414 PDEDQKHFZMPOBM-PWSUYJOCSA-N 319.369 -0.376 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](C1CC1)N(C)C(=O)CS(C)(=O)=O 1424892445 LYJWFVRHDHAAGI-MWLCHTKSSA-N 315.395 -0.456 30 20 DBED Cn1cc(NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c(C(N)=O)n1 1426243453 NBVGNKCHKQYKTF-JTQLQIEISA-N 317.353 -0.277 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)[C@H](C)CN2CCOCC2)C1 1430155027 SCOOTRCIMDMHSR-CRWXNKLISA-N 322.409 -0.122 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)CCCn3cncn3)[C@H]2C1 1430389966 PORVJLFPGIBURR-NMKXLXIOSA-N 316.365 -0.209 30 20 DBED Cc1nc(N2C[C@H](C(N)=O)[C@@H](C(N)=O)C2)c(Cl)cc1C#N 1434449750 ZXKHTMUMZVKGLD-IUCAKERBSA-N 307.741 -0.062 30 20 DBED C[C@H](C#N)C(=O)N1CCN(CCN(C)C(=O)CC(C)(C)O)CC1 1450100572 YJYHIHOIDFVCOB-CYBMUJFWSA-N 324.425 -0.090 30 20 DBED C[C@H](C#N)C(=O)NC1CN(C(=O)[C@@H]2CCCN(C(N)=O)C2)C1 1456388385 CQBLJUSPOSNFHA-NXEZZACHSA-N 307.354 -0.736 30 20 DBED C[C@@H](C#N)C(=O)NC1CN(C(=O)C(C)(C)CN2CCOCC2)C1 1456399856 WPFOIJJTITZJFV-LBPRGKRZSA-N 322.409 -0.169 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N1CC[C@@H](CS(N)(=O)=O)C1 1464699098 LNHFJZSXIOEXCY-NXEZZACHSA-N 324.428 -0.924 30 20 DBED CN(CCc1nccs1)C(=O)Cn1cc(C#N)c(O)nc1=O 1466127045 YOWOGKFSKWPEGK-UHFFFAOYSA-N 319.346 -0.022 30 20 DBED C[C@H](C#N)C(=O)N(CCNC(=O)CN1CCOCC1)C1CC1 1529741893 FHNJUIKEQQDSRN-GFCCVEGCSA-N 308.382 -0.415 30 20 DBED C[C@H](CNC(=O)c1cn(C)c(=O)nc1O)CNC(=O)[C@@H](C)C#N 1532238590 ZWAZXBUVAULSGB-IUCAKERBSA-N 321.337 -0.872 30 20 DBED Cn1c(=O)[nH]c(N2CCC[C@H]([C@@H]3CCNC3)C2)c(C#N)c1=O 1579940147 SCJKUHNJQXWPIM-MNOVXSKESA-N 303.366 -0.229 30 20 DBED N#Cc1ccc(N2CCC(NC(=O)C[C@H](O)CN)CC2)nc1 1580067225 KZXOPLYXXQFPTJ-ZDUSSCGKSA-N 303.366 -0.252 30 20 DBED C#Cc1cncc(C(=O)NCCN=c2cc[nH]c(C(=O)O)n2)c1 1588528878 KRNPGHVUJYWYKQ-UHFFFAOYSA-N 311.301 -0.185 30 20 DBED COC(=O)c1cc(C#N)c(=O)n(CC(=O)C2(C(=O)O)CC2)c1 1598919092 SUYPRBBLXVGYBR-UHFFFAOYSA-N 304.258 -0.060 30 20 DBED Cn1cc(N2C[C@H](C(=O)N(CC#N)CC(=O)O)CCC2=O)cn1 1600962562 YALXRDGZDVCUNR-SNVBAGLBSA-N 319.321 -0.400 30 20 DBED N#CCCN1CCN(C(=O)CN2CCC[C@H](C(=O)O)C2=O)CC1 1601067810 NSJRUTWELUMXGT-LBPRGKRZSA-N 322.365 -0.633 30 20 DBED CC1(C)NC(=O)N(CCCNC(=O)[C@@](C)(C#N)CC(=O)O)C1=O 1602780383 FQHUHVMIMODUQV-CQSZACIVSA-N 324.337 -0.172 30 20 DBED CCCNC(=O)NC(=O)Cn1c(C)nc(C#N)c1-c1nn[nH]n1 1604221209 BOXNRMIONPVLGX-UHFFFAOYSA-N 317.313 -0.521 30 20 DBED COC(=O)[C@H]1CC[C@H](C(=O)O)CN1S(=O)(=O)CCCC#N 1606387360 JDMMETYDXSADND-VHSXEESVSA-N 318.351 -0.042 30 20 DBED CCN(CCNC(=O)c1c[nH]c(C#N)c1)CC(=O)NCC#N 1753080735 GRZMSCNTMKHLJZ-UHFFFAOYSA-N 302.338 -0.422 30 20 DBED Cc1cc(C(=O)N(C)[C@H]2CCN(CC(=O)NCC#N)C2)n[nH]1 1753431373 YVURLIIQCFEDAD-NSHDSACASA-N 304.354 -0.496 30 20 DBED C#CCNC(=O)CNC[C@@](C)(NC(=O)c1cncn1C)C1CC1 1753520651 ZZEIMNZVNRZHGK-MRXNPFEDSA-N 317.393 -0.342 30 20 DBED C=CCN1CCO[C@@H](CNC(=O)CCN2C(=O)CCC2=O)C1 1753654981 HIHXAUAMQMFYNH-LBPRGKRZSA-N 309.366 -0.472 30 20 DBED N#CCNC(=O)CNC[C@@H]1CCC[C@H]1NC(=O)c1cnon1 1753900471 YFDBDFYCEBEEQB-VHSXEESVSA-N 306.326 -0.803 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@H](O)CNC(=O)/C=C\c1ccc[nH]1 1753909977 NRMFHDZBRVZTGP-DIQTYVNISA-N 318.377 -0.768 30 20 DBED C#CCNC(=O)[C@H](C)NCC[C@@H](C)NC(=O)Cc1ccon1 1753951877 LEVDTCZKEDPWAJ-NEPJUHHUSA-N 306.366 -0.161 30 20 DBED CC(=O)NC1(C(=O)N[C@@H](C)CNCC(=O)NCC#N)CCCC1 1754286873 DHLUHQXBMXNAMO-NSHDSACASA-N 323.397 -0.831 30 20 DBED N#CCNC(=O)CN1C[C@H]2C[C@H]1[C@H]2NC(=O)Cc1cscn1 1754429888 ZATZAONCWJUERQ-PUYPPJJSSA-N 319.390 -0.486 30 20 DBED C#CCCN[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C[C@@H]1CC 1754466345 DGYHRDGQNLTJDZ-QWHCGFSZSA-N 320.393 -0.222 30 20 DBED C=CCNC(=O)CN1CC[C@H]1CNC(=O)Cc1ccn(C)n1 1754484280 YNTWRBFERJZESJ-ZDUSSCGKSA-N 305.382 -0.545 30 20 DBED CC#CCN[C@@H](C)[C@H]1CCN(C(=O)c2cn(C)c(=O)nc2O)C1 1754806464 CVOIHKGUYWDVTJ-RYUDHWBXSA-N 318.377 -0.051 30 20 DBED C=CCN1C[C@H]2CN(C(=O)[C@H](C)NS(C)(=O)=O)C[C@H]2C1 1754845467 NUPYYTYVGFUGOC-SDDRHHMPSA-N 301.412 -0.500 30 20 DBED CC#CCNC[C@H]1CN(C(=O)[C@H](NC(N)=O)C(C)(C)C)CCO1 1755014161 DTYIWOCDEMEPTP-STQMWFEESA-N 324.425 -0.090 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)Cn2cncn2)C[C@@H]1C 1755124156 ZXBHNLFZVSHFNX-NWDGAFQWSA-N 306.370 -0.983 30 20 DBED C#CCNC(=O)CNC1(C)CCN(C(=O)CN2CCCC2)CC1 1755134706 MKFJBQFETLWFJQ-UHFFFAOYSA-N 320.437 -0.198 30 20 DBED N#CCNCC1CC(NC(=O)c2ccc(-n3cnnn3)cn2)C1 1755214008 DIIRDWSXMXQSMN-UHFFFAOYSA-N 312.337 -0.321 30 20 DBED COCC#CCN[C@H](C)CN(C)C(=O)[C@@H]1CCS(=O)(=O)C1 1755597229 KVTFONHIALDQIB-CHWSQXEVSA-N 316.423 -0.493 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H](C)CN(C)C(=O)c1cnc(C)n1C 1755601051 JCMLYJDIRLYQAI-RYUDHWBXSA-N 319.409 -0.083 30 20 DBED C#CCN[C@@H](CO)CNC(=O)CCNC(=O)C1CCCCC1 1755642044 OAEKYRPGTKAQDQ-CQSZACIVSA-N 309.410 -0.227 30 20 DBED CC#CCN[C@@H](CO)CNC(=O)[C@@H]1CCc2nnc(C)n2C1 1755646711 BVMPXGHRYXDHRU-CHWSQXEVSA-N 305.382 -0.761 30 20 DBED C#CCOCCC(=O)N[C@H](C)C1CN(C(=O)C(C)(C)C(N)=O)C1 1756141813 KCBKTPGLMTZBNR-LLVKDONJSA-N 323.393 -0.499 30 20 DBED C=C(C)CCC(=O)N[C@H](CO)CNC(=O)[C@H](C)n1cncn1 1756513100 AKLGWBOCHYYLNB-RYUDHWBXSA-N 309.370 -0.211 30 20 DBED C[C@H](C(=O)N[C@@H](CO)CNC(=O)C#CC1CC1)c1ccnn1C 1756519869 PNYSRSPICJQTMR-WCQYABFASA-N 318.377 -0.470 30 20 DBED C=C1CC(C)(C(=O)NC[C@@H](CO)NC(=O)[C@H](COC)OC)C1 1756547564 CGQNKSJSAIPGDP-RYUDHWBXSA-N 314.382 -0.403 30 20 DBED C=CCOCC(=O)N(C)C[C@@H](O)CN(C)C(=O)c1cocn1 1756683631 IUCQVGCTFHGBMK-LLVKDONJSA-N 311.338 -0.232 30 20 DBED C=CC(C)(C)C(=O)N(C)C1CC(NC(=O)Cn2cnnn2)C1 1756744878 CONFSGJBSVSOMS-UHFFFAOYSA-N 306.370 -0.009 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1C[C@@H](CNC(=O)[C@H]2CC23CC3)C1 1757331783 JXKWLIUHFMLHMG-FRRDWIJNSA-N 317.389 -0.063 30 20 DBED NS(=O)(=O)CCNN=Cc1c(F)cc(C(=O)O)cc1F 1776046751 GFHWFEPQWQJRJN-UHFFFAOYSA-N 307.278 -0.125 30 20 DBED C[C@H](CN)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC#N)C2 1795512733 OFRVUSLFYZNBGN-NRWUCQMLSA-N 308.382 -0.525 30 20 DBED NCC(=O)N1CCCC[C@H]1C1CCN(C(=O)C#CC(=O)O)CC1 1826813373 JDJCEMFBKSJEGK-ZDUSSCGKSA-N 321.377 -0.347 30 20 DBED N#CCCC(=O)N1CC2(CCCN2C(=O)[C@H]2CCC(=O)N2)C1 1842796550 GRDZYKPJDCWEGK-LLVKDONJSA-N 304.350 -0.228 30 20 DBED C[C@@H](CC#N)NC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 194646485 QKZBWJNCTIHVAF-QMMMGPOBSA-N 301.306 -0.336 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C(=O)O)C(C)C)C1=O 262929416 XEQFNSBXSPGGIG-SECBINFHSA-N 311.294 -0.811 30 20 DBED C=CCn1c(SCC(=O)N[C@H]2CCSC2=O)n[nH]c1=O 270483406 PXACFLRBRQSVOS-ZETCQYMHSA-N 314.392 -0.002 30 20 DBED C#CCCS(=O)(=O)N[C@@H]1CCN(c2cc(C)nn2C)C1=O 288184840 AYZFLDMUAFHPQM-LLVKDONJSA-N 310.379 -0.223 30 20 DBED C=C[C@H](CO)NC(=O)c1ccnc(C(=O)N[C@H](C=C)CO)c1 290719066 XMLNWBYZBQZNEU-VXGBXAGGSA-N 305.334 -0.365 30 20 DBED CN1CCCN(/C(O)=N/[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 328811022 MRMXAHJMTUHFCT-GFCCVEGCSA-N 318.443 -0.038 30 20 DBED N#Cc1ccc(NCC(=O)N2CCN3CCOC[C@@H]3C2)nc1 329460612 SBFSRUQUSCXXCI-ZDUSSCGKSA-N 301.350 -0.092 30 20 DBED Cc1nc2n(n1)C[C@H](/N=C(/O)N1C[C@@H]3OCCN(C)[C@H]3C1)CC2 329944879 WZTHWDBQICIJBC-AGIUHOORSA-N 320.397 -0.170 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)CN2CCCC2=O)CC1 330536455 SLVLCSMLIMHBHS-UHFFFAOYSA-N 308.382 -0.945 30 20 DBED CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCN(C(=O)[C@H](C)O)CC1 330582739 RDQVVACJVFWXML-WWGRRREGSA-N 324.425 -0.046 30 20 DBED CC/N=C(/O)N1CCN(C(=O)CSc2n[nH]c(O)n2)CC1 331110296 ICBACVBZXHXJLU-UHFFFAOYSA-N 314.371 -0.320 30 20 DBED CCCN1CCC(NS(=O)(=O)N2CCO[C@H](C#N)C2)CC1 336917124 NWGMECSVFRVJIL-CYBMUJFWSA-N 316.427 -0.080 30 20 DBED N#C[C@H]1CN(S(=O)(=O)N[C@@H](CO)c2ccccc2)CCO1 336949052 REZSQGMHBAXLSL-STQMWFEESA-N 311.363 -0.221 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N1C[C@@H](C)O[C@@H](CO)C1 337167984 CSRXXGAXYVUDDC-IJLUTSLNSA-N 305.400 -0.206 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCc2ccncc2)C1=O 339312569 BBJGPSKEFQUVRP-ZDUSSCGKSA-N 316.361 -0.057 30 20 DBED C=CCOCC(=O)N(CC)CC(=O)N[C@H]1CCS(=O)(=O)C1 339905356 JSWFQNNWFNUVKL-NSHDSACASA-N 318.395 -0.659 30 20 DBED COCC1(C#N)CCN(CC(=O)N[C@H](C)C(=O)N(C)C)CC1 342007613 CRKISIDHTNKCRV-GFCCVEGCSA-N 310.398 -0.169 30 20 DBED Cc1cc(O)cc(=O)n1CCC(=O)NCCn1cnc(C#N)n1 343037220 HSEBDCYJTVSGDQ-UHFFFAOYSA-N 316.321 -0.468 30 20 DBED C[C@@H](NC(=O)c1ccc(C#N)[nH]1)C(=O)N1CCS(=O)(=O)CC1 343250110 XKTVFXPKCPIUOA-SECBINFHSA-N 324.362 -0.738 30 20 DBED CC[C@H](C)NC(=O)CN1CCN(S(=O)(=O)[C@@H](C)C#N)CC1 352413658 PZZYQGRAECXBOT-RYUDHWBXSA-N 316.427 -0.239 30 20 DBED Cc1ccoc1C(=O)NCCCNC(=O)NCC(=O)NCC#N 358305668 DKQPICCIWNMPOA-UHFFFAOYSA-N 321.337 -0.353 30 20 DBED C=CCOC[C@H](NS(=O)(=O)C[C@H]1CCOC1)C(=O)OC 360618283 HYICFJXQXOALMQ-QWRGUYRKSA-N 307.368 -0.314 30 20 DBED C=CCOC[C@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)C(=O)OC 360708201 QVMKOWJBLADVIR-VIFPVBQESA-N 312.282 -0.348 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N1CC[C@@H](NC(=O)NC)C1 410910438 NXQJRUYAWGZSGX-LLVKDONJSA-N 312.370 -0.823 30 20 DBED CCCCN(CCO)C(=O)C(=O)Nc1ccn(CCC#N)n1 444499363 QWKNBVYFNBCAMP-UHFFFAOYSA-N 307.354 0.356 30 20 DBED C=CCN(C)C(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 459911889 XDPCEQVKOJELKI-UHFFFAOYSA-N 322.409 -0.603 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)COCC(F)(F)F)CC1 491523108 BOKQTDMNKLCXDS-UHFFFAOYSA-N 321.299 -0.541 30 20 DBED N#Cc1ccncc1N1CCN(C(=O)C2(CO)COC2)CC1 553354668 XESIIENMQVANBW-UHFFFAOYSA-N 302.334 -0.389 30 20 DBED CN(C)CCN(CCN(C)C)C(=O)NCCn1cnc(C#N)n1 588731027 LZWCHBALWCGEKQ-UHFFFAOYSA-N 322.417 -0.715 30 20 DBED COC(=O)[C@@H]1C[C@H](O)CN(CC(=O)N[C@@](C)(C#N)C2CC2)C1 592206668 HFMPGMHPRCMQBA-GMXABZIVSA-N 309.366 -0.349 30 20 DBED Cc1cc2c(NC(=O)[C@@H]3CCS(=O)(=O)N3)n[nH]c2cc1C#N 593850817 VXHMSVAJWCKEBX-JTQLQIEISA-N 319.346 0.373 30 20 DBED CN(CCC#N)S(=O)(=O)N(CCOCCO)C1CCC1 594792511 PYLDMSNPUGOUKZ-UHFFFAOYSA-N 305.400 -0.060 30 20 DBED N#Cc1ccc(CCNC(=O)NCCN2CCNC(=O)C2)cc1 595695167 PKODYCHLELJYSM-UHFFFAOYSA-N 315.377 -0.168 30 20 DBED COc1cc(C#N)ccc1NC(=O)C(=O)N(C)CCOCCN 599900227 NCEMQCSQKJENHR-UHFFFAOYSA-N 320.349 -0.061 30 20 DBED C[C@H](C#N)CNC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 609525803 ZCHPPAMACWMITE-CHWSQXEVSA-N 308.382 -0.557 30 20 DBED CS(=O)(=O)N1CCCN(C(=O)[C@@H](N)CCCC#N)CC1 703165882 ASFQQITUUPDZRK-NSHDSACASA-N 302.400 -0.499 30 20 DBED CN(CCS(N)(=O)=O)S(=O)(=O)c1ccc(C#N)cc1 719714310 OVFBECHIDXDQHK-UHFFFAOYSA-N 303.365 -0.533 30 20 DBED Cn1cc(C(=O)[C@@H](C#N)C(=O)NC2CCCC2)c(=O)n(C)c1=O 735207469 ROFUMPNJYPIHRF-SNVBAGLBSA-N 318.333 -0.535 30 20 DBED C#CCNC(=O)COC(=O)c1cc(C)ccc1S(N)(=O)=O 767709873 UYSLDWANGVIKHH-UHFFFAOYSA-N 310.331 -0.451 30 20 DBED C#Cc1cccc(NC(=O)CNC(=O)Cn2cnc(C#N)n2)c1 769134182 MTXBYRODYSKIEV-UHFFFAOYSA-N 308.301 -0.114 30 20 DBED CC1(C)[C@H](O)C[C@H]1NC(=O)NCCN/C(O)=C1\N=CC=CC1=O 779570003 KOVXLLRRSUMLEM-AYHAQHTHSA-N 322.365 -0.029 30 20 DBED C#C[C@H](NC(=O)C(=O)NC[C@H](C)Cn1cccn1)[C@H]1CCCO1 790213451 NJSXCPJBWKVWIM-MELADBBJSA-N 318.377 -0.068 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)NCCS(=O)(=O)CC1CC1 800083073 PNZGWTBYZIIKLQ-SNVBAGLBSA-N 323.440 -0.263 30 20 DBED C#C[C@@H](NC(=O)C(=O)N(C)CCN(C)C1CC1)[C@@H]1CCCO1 809305310 BDVAYURYHYFEJJ-KGLIPLIRSA-N 307.394 -0.164 30 20 DBED CC(C)C#CC(=O)N(C)CC(=O)N[C@H]1CCS(=O)(=O)C1 821968763 KHCZTUFJCONMFV-NSHDSACASA-N 300.380 -0.593 30 20 DBED C#CCCOC(=O)N(C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 858901438 CNCFBXADQPIGKS-SNVBAGLBSA-N 302.352 -0.619 30 20 DBED Cc1cc(/C=C\C(=O)c2c(O)n(C)c(=O)n(C)c2=O)nn1C 876498135 PMSJCOJLCTXTSO-WAYWQWQTSA-N 304.306 -0.272 30 20 DBED COC[C@H](CS(=O)(=O)N1CCN(C2CC2)[C@H](C#N)C1)OC 881884035 AWKYDJXYOQRKKI-CHWSQXEVSA-N 317.411 -0.350 30 20 DBED C#CC1(O)CN(C(=O)[C@@H](C)NS(=O)(=O)c2cccs2)C1 890520596 KAZBRAQVVWJFCT-SECBINFHSA-N 314.388 -0.379 30 20 DBED CN(C)C(=O)COC1CN(C(=O)c2cccc(C#CCO)c2)C1 900954625 MWALCPFCAWWTSP-UHFFFAOYSA-N 316.357 -0.040 30 20 DBED CCN(C[C@@H](C)C#N)C(=O)COC(=O)CS(=O)(=O)CC 920596485 SVXJCZNNLXRSOF-JTQLQIEISA-N 304.368 -0.028 30 20 DBED O=C(NC[C@H]1CCCN1C(=O)C#CC1CC1)[C@@H]1COCCO1 944007854 QALIYABMBCSRTR-KGLIPLIRSA-N 306.362 -0.078 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@@H]2CCCC[C@@H]2NC(=O)C(N)=O)c1 946428488 RLHUTHSCXWYWGK-QWRGUYRKSA-N 317.349 -0.224 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)[C@H]1CCCC(=O)N1)CCO2 949121209 XDYNSQABXKPGJS-CQSZACIVSA-N 319.405 -0.018 30 20 DBED C[C@@H](C#N)C(=O)N1CC(N(C)C(=O)[C@H]2CCCC(=O)N2C)C1 955009125 YDFWSCJEWKXRBB-CMPLNLGQSA-N 306.366 -0.174 30 20 DBED C[C@H](C#N)C(=O)N1CCC(C)(NC(=O)[C@@H]2COCCN2C)CC1 956343768 YMQKTAXUUMOTSO-OLZOCXBDSA-N 322.409 -0.026 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@](C)(NC(=O)c2cc(=O)n(C)cn2)C1 957156538 ZMTMXQIPKZQYJS-MEBBXXQBSA-N 317.349 -0.339 30 20 DBED CN(C)C(=O)CN1C[C@H]2[C@H](NC(=O)c3cc(C#N)c[nH]3)[C@H]2C1 958500456 QKTXVFMYEJMYNC-YABSGUDNSA-N 301.350 -0.365 30 20 DBED C#CCN1C[C@H](CNC(=O)c2cnc3n[nH]c(C)c3c2)[C@@H](O)C1 958672225 KDLMUNCMRQQBQP-JSGCOSHPSA-N 313.361 -0.078 30 20 DBED Cc1c[nH]c(CC(N)=O)c1C(=O)NC1[C@H]2CN(CC#N)C[C@H]12 961841445 SUPSFFIBRPCBNR-UWVGGRQHSA-N 301.350 -0.466 30 20 DBED C=CCN1C[C@H]2[C@H](NC(=O)Cn3[nH]cc4c(=O)ncnc3-4)[C@H]2C1 962072325 HLSGZIJFURAKJR-PJXYFTJBSA-N 314.349 -0.696 30 20 DBED COc1cc(C(=O)NC[C@@H]2COCCN2C(=O)[C@@H](C)C#N)on1 964161721 CXSPOVMOEFFLKK-VHSXEESVSA-N 322.321 -0.200 30 20 DBED CCN(C(=O)[C@@H]1CN(C)CCO1)C1CN(C(=O)[C@H](C)C#N)C1 967855412 OCBZIMJMURVBBT-YPMHNXCESA-N 308.382 -0.464 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)c3ncn(C)n3)[C@@H]2C1 972029253 MZFGZRBZUWTKKF-GMTAPVOTSA-N 302.338 -0.352 30 20 DBED COc1ncc(C(=O)N2CC[C@@]3(CN(CC#N)CCO3)C2)cn1 972623685 CEEWMOUOJLUIJD-OAHLLOKOSA-N 317.349 -0.074 30 20 DBED C=CCn1cc(C(=O)N[C@H]2C[C@@H](NC(=O)c3ncc[nH]3)C2)nn1 974099282 HBKGATDRVJBPFN-AOOOYVTPSA-N 315.337 -0.122 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)C[C@@H]3CCNC3=O)[C@H]2C1 976644176 UAOFCBLZMNLCGB-HKLXJQGRSA-N 304.350 -0.755 30 20 DBED C=CCn1cc(C(=O)N2CCCN([C@H](C)C(N)=O)CC2)nn1 982113954 SNGFFXCSHWMLKP-LLVKDONJSA-N 306.370 -0.514 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)CC(N)=O)C2)cn1 982564819 SRGSKZDBIVRBHW-LLVKDONJSA-N 314.345 -0.483 30 20 DBED CC#CCN1CCN(C(=O)N2CCN(C(=O)COC)CC2)CC1 985827488 YOQLVOIGFZFNCP-UHFFFAOYSA-N 322.409 -0.462 30 20 DBED N#Cc1ccc(C(=O)NC2CN(C(=O)[C@H]3CCC(=O)NC3)C2)[nH]1 990869182 UMKRMJNFPFXNOV-VIFPVBQESA-N 315.333 -0.647 30 20 DBED C#Cc1ccc(C(=O)N2CC(NC(=O)c3cnn(C)c3N)C2)cn1 990957114 XPQRNAPMFCLCMN-UHFFFAOYSA-N 324.344 -0.367 30 20 DBED N#Cc1ccc(C(=O)N2CC(NC(=O)CC3OCCCO3)C2)[nH]1 991006670 LDANUXJCIOMHLS-UHFFFAOYSA-N 318.333 -0.020 30 20 DBED C=CCn1cc(C(=O)NC2CN(C(=O)[C@@H](CC)N(C)C)C2)nn1 991673921 QNGQBKJRPODRPP-CYBMUJFWSA-N 320.397 -0.255 30 20 DBED C#CCNC1CC(N(C)C(=O)Cn2ncn3nccc3c2=O)C1 999497291 GJAINJRBGFYDBG-UHFFFAOYSA-N 314.349 -0.897 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)C(N)=O)C1 1006182078 WLYODHYTJPHKON-WCQGTBRESA-N 309.366 -0.584 30 20 DBED C#CCN1CCC(C(=O)N(C)C2CCN(CC(N)=O)CC2)CC1 1006445444 GXDBWENELUIONP-UHFFFAOYSA-N 320.437 -0.260 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H]2C(NC(=O)Cn3cnnc3O)[C@H]2C1 1012988090 NOGPZNSMTJIERU-UWVGGRQHSA-N 319.365 -0.231 30 20 DBED C#CCCN1CC[C@H](NC(=O)Cc2ccc(C(N)=O)nc2)C1 1014936483 DYIQDVSXRFQLLI-ZDUSSCGKSA-N 300.362 -0.063 30 20 DBED N#Cc1ccc(C(=O)NC[C@@H]2CC[C@@H](NC(=O)C(N)=O)C2)[nH]1 1015549853 CGJNDXHBWJTXNL-RKDXNWHRSA-N 303.322 -0.614 30 20 DBED C#Cc1cncc(C(=O)N[C@H]2CCN(Cc3nc(O)n[nH]3)C2)c1 1015678436 IAYQCFCOVQSCKO-LBPRGKRZSA-N 312.333 -0.109 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCN(Cc2nnn(C)n2)C1 1015721808 OVCJGMFDQWIMAI-UTUOFQBUSA-N 306.370 -0.508 30 20 DBED C=CCCn1cc(C(=O)N[C@H]2CCN([C@@H](CC)C(N)=O)C2)nn1 1015820464 HKOXQYUTAQWJRF-AAEUAGOBSA-N 320.397 -0.078 30 20 DBED C#CCCN1CCC2(CC1)C[C@H]2NC(=O)Cn1cnnc1O 1016582960 CJGAGCAYWKCTQA-GFCCVEGCSA-N 303.366 -0.022 30 20 DBED C[C@H](C#N)C(=O)N1CC=C(CNC(=O)[C@H]2COCCO2)CC1 1017305420 LHKRFUJMIWFPKF-DGCLKSJQSA-N 307.350 -0.164 30 20 DBED O=C1CC[C@@H](C(=O)N2CCC3(CN(C(=O)C#CC4CC4)C3)C2)N1 1019010248 KGPPPDZFKOVPGJ-ZDUSSCGKSA-N 315.373 -0.261 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(C1)CN(C(=O)[C@@H]1CN(C)C(=O)N1)C2 1019254439 IJJQDQVFHVJJLL-QWRGUYRKSA-N 319.365 -0.769 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H](NCc2nnn(C)n2)C1 1020250825 SUCIRRANXNZXQL-AVGNSLFASA-N 317.397 -0.956 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H]3CN(C(=O)COC)C[C@H]32)nn1 1021688755 WKIIGMGUJIOABV-WCQYABFASA-N 319.365 -0.217 30 20 DBED C=CCN1CC[C@H](N[C@H]2C[C@@H](NC(=O)[C@H]3CCNC3=O)C2)C1=O 1022540960 BASQLRQNFZFZEJ-RNJOBUHISA-N 320.393 -0.854 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ncccc2O)C1 1023488402 GOTTVWIQFKXPSB-FXPVBKGRSA-N 304.306 -0.752 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnnn2CC)C1 1023608389 YTYUDEDJAJMBTG-ZYHUDNBSSA-N 321.381 -0.188 30 20 DBED COc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2O)o1 1025281603 RLYXHACOFDKVMR-IVZWLZJFSA-N 307.306 -0.251 30 20 DBED C#CCN(C)[C@H]1CCCN(C(=O)CN2C(=O)CN(C)C2=O)C1 1027674040 PRGBMOUGXOISQG-LBPRGKRZSA-N 306.366 -0.564 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@@H]2CCN(Cc3nc(O)n[nH]3)C2)c1 1028468632 ZUFPWCZVWAVLGX-VIFPVBQESA-N 315.337 -0.038 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)CN3CCCC3=O)C2)C1=O 1030092081 XBFMZLYWYWBNKO-ZDUSSCGKSA-N 320.393 -0.804 30 20 DBED N#Cc1cc(C(=O)NC2CN(C[C@@H](O)Cn3cccn3)C2)c[nH]1 1030236979 VOCVQIVCHAEGPP-CQSZACIVSA-N 314.349 -0.442 30 20 DBED Cn1cc(C(=O)N[C@@H]2CCCCN(CC#N)C2)c(O)nc1=O 1034523514 GMJASVUMUSZLKK-SNVBAGLBSA-N 305.338 -0.406 30 20 DBED CC#CCN1CCO[C@H](CNC(=O)c2cn(C)c(=O)n2C)C1 1035615945 BWKZWSFKWZQALA-GFCCVEGCSA-N 306.366 -0.822 30 20 DBED Cn1cc(C(=O)N2CCC3(CC2)CN(CC#N)C3)c(O)nc1=O 1035850081 VCUKKVFDLUZDCW-UHFFFAOYSA-N 317.349 -0.453 30 20 DBED N#Cc1ccc(C(=O)NC[C@@H]2CCN2Cc2nc(O)n[nH]2)[nH]1 1038173311 OBYJTEXJOBTFEY-VIFPVBQESA-N 301.310 -0.286 30 20 DBED C=CC(C)(C)C(=O)NC[C@@]1(O)CCN(C(=O)c2cnn(C)n2)C1 1040488166 JXFKYHXKALGVGO-HNNXBMFYSA-N 321.381 -0.280 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)c2ccn(C)n2)C1 1040761129 BRWQWOYVBOTURQ-HZMBPMFUSA-N 305.338 -0.727 30 20 DBED N#Cc1cnc(N2C[C@@H](O)[C@H](NC(=O)Cc3ccc[nH]3)C2)cn1 1041058211 CYYRCBCNVDISNG-CHWSQXEVSA-N 312.333 -0.415 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CC[C@@H]2C(N)=O)C1 1041973043 PDAFPWIZHPJSNJ-WDEREUQCSA-N 309.366 -0.846 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)c2cc(C)on2)C1 1042034670 BCWNEOROYDCHEN-UHFFFAOYSA-N 309.322 -0.511 30 20 DBED O=C(NCC1(O)CN(C(=O)C#CC2CC2)C1)[C@@H]1CCCCO1 1042569031 SOCZVJJRNDWJRF-ZDUSSCGKSA-N 306.362 -0.342 30 20 DBED CO[C@@H]1CN(c2nccnc2C#N)C[C@H]1NC(=O)[C@@H]1CCOC1 1042779700 SIQZKPZWKPNMLS-RAIGVLPGSA-N 317.349 -0.295 30 20 DBED CO[C@@H]1CN(c2nccnc2C#N)C[C@H]1NC(=O)c1cnco1 1042938474 MTLZBRPMQKFCTN-ZYHUDNBSSA-N 314.305 -0.030 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)[C@@H]2CCN(C)C2)C1 1043120978 SWSHWXNTYSTAKW-GFCCVEGCSA-N 309.410 -0.160 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]2C2CC2)C1 1043231666 PKLVQMLBDCRAER-UONOGXRCSA-N 320.389 -0.238 30 20 DBED C=C(C)CCC(=O)NCC1(O)CN(C(=O)[C@H]2CCCNC2=O)C1 1043314820 IUMVAXSNYMNCJD-LBPRGKRZSA-N 323.393 -0.442 30 20 DBED N#Cc1cnc(N2C[C@H](O)[C@H](NC(=O)[C@H]3CCOC3)C2)c(F)c1 1043864930 DODIXRWZIPCUMC-UHTWSYAYSA-N 320.324 -0.205 30 20 DBED CCOc1cc(C(=O)NCC2(O)CN(C(=O)[C@@H](C)C#N)C2)on1 1043918903 UWLGIRFRQIDGEY-VIFPVBQESA-N 322.321 -0.464 30 20 DBED C=C[C@@H](C)[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2cnon2)C1 1044980791 OZQREXOJSRAZKO-NXEZZACHSA-N 308.338 -0.169 30 20 DBED N#CCN1[C@H]2CC[C@H]1CN(C(=O)CN1C(=O)CCC1=O)CC2 1045888495 JLPVMAWPVNETAS-RYUDHWBXSA-N 304.350 -0.276 30 20 DBED C#CCN1CC[C@@H](N2CCN(C(=O)Cn3cccn3)CC2)C1 1046004911 GVERZHFFZRMQGY-OAHLLOKOSA-N 301.394 -0.265 30 20 DBED C#CCN1CC[C@@](C)(NC(=O)[C@@H]2CC(=O)N(CCOC)C2)C1 1046367055 WTRROLCGCCNAPI-CZUORRHYSA-N 307.394 -0.305 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)Cn2cccc(C)c2=O)C1 1047380529 NKFFYMMOAUDSTB-GJZGRUSLSA-N 317.389 -0.316 30 20 DBED C=CCOCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CNC(N)=O)C2 1047399446 PCYYRMBWWAMRMC-TUAOUCFPSA-N 324.381 -0.647 30 20 DBED CN(C(=O)C1CCC(C(N)=O)CC1)[C@H]1CN(CC#N)C[C@@H]1O 1047437631 WKXZSMQSCAVHHA-TYUFSLCMSA-N 308.382 -0.695 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CN(C(C)C)CCO2)C1 1047499395 ITICOKHRJWLUFP-HRCADAONSA-N 323.437 -0.378 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2conc2COC)C1 1047593345 ALZSHQRDBIAUTH-KBPBESRZSA-N 307.350 -0.039 30 20 DBED C=CCOCC(=O)N(C)[C@H]1CN(C(=O)c2[nH]cnc2C)C[C@@H]1O 1048557643 GTOFHVBXPYPPHG-RYUDHWBXSA-N 322.365 -0.436 30 20 DBED C=CCOCC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C[C@@H]1O 1048558667 UVRKZRXUTUFCTG-WHRXGGIHSA-N 324.377 -0.889 30 20 DBED C=C[C@](C)(O)CC(=O)N(C)[C@H]1CN(C(=O)[C@H]2C[C@@H]2C)C[C@@H]1O 1048761894 JQGGKUPUQKIUJN-YTORKDELSA-N 310.394 0.000 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)c2cnn(C)c2)C[C@@H]1O 1049388255 HYWGRGXTBLLJJT-DLOVCJGASA-N 305.338 -0.777 30 20 DBED C=C(C)CN1CCOC[C@H]1CNC(=O)[C@H]1CCS(=O)(=O)C1 1051011457 JXXGNECRXBQCHY-QWHCGFSZSA-N 316.423 -0.186 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)[C@H]1CCc2nc[nH]c2C1 1051200803 WGSUMAWHUMPJOG-STQMWFEESA-N 302.378 -0.035 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)c1ccc(=O)n(CCC)n1 1051238243 ISMRTKWHRKSGSS-ZDUSSCGKSA-N 318.377 -0.283 30 20 DBED N#Cc1nccnc1NC1CC(CNC(=O)[C@@H]2CCC(=O)N2)C1 1051972219 UVIDJSIPOKRWRC-ILDUYXDCSA-N 314.349 -0.066 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)[C@H](C)n1cncn1)CCO2 1053227219 SZNVJBBDGKONQF-ZDUSSCGKSA-N 303.366 -0.224 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)[C@H]3CCNC(=O)CC3)CO2)C1 1053881669 MYJVXBNWPFMMFS-KGLIPLIRSA-N 319.405 -0.115 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)[C@H]3C[C@H]3C(=O)N(C)C)CO2)C1 1053926637 KFPUBQZIDDENQB-MELADBBJSA-N 319.405 -0.307 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)c3cc(C(N)=O)c[nH]3)CO2)C1 1053967399 WESYLHZETHHFMJ-GFCCVEGCSA-N 316.361 -0.290 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)[C@H]3CCCC(=O)N3C)CO2)C1 1053997702 VALOVBJOVOBSKA-ZIAGYGMSSA-N 319.405 -0.020 30 20 DBED C=C(C)CN[C@@H]1CN(C(=O)Cn2ccc(=O)n(C)c2=O)C[C@@H]1C 1054701065 ASAWLBISXNGGBD-QWHCGFSZSA-N 320.393 -0.440 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2ccc(S(N)(=O)=O)o2)C[C@H]1C 1054854500 VCNNAABSVGTAIF-NXEZZACHSA-N 311.363 -0.390 30 20 DBED Cn1cc(C(=O)NC2[C@H]3CN(c4ccnc(C#N)n4)C[C@H]23)cn1 1056136230 VYCNKCLSKVNTQN-QWRGUYRKSA-N 309.333 -0.054 30 20 DBED NC(=O)NCC(=O)N1CCC[C@H]2[C@@H]1CCN2C(=O)C#CC1CC1 1056220706 NAPNOVSHZVVWGO-STQMWFEESA-N 318.377 -0.340 30 20 DBED N#Cc1cnc(N2C[C@H]3C(NC(=O)c4c[nH]c(=O)cn4)[C@@H]3C2)cn1 1056388838 HMNRPCNSWOKPIA-NXEZZACHSA-N 323.316 -0.704 30 20 DBED CSCC(=O)N(CCO)CCNC(=O)c1cc(C#N)c[nH]1 1056899949 QJDFKSBNCYGUFE-UHFFFAOYSA-N 310.379 -0.200 30 20 DBED CN(c1ccc(C#N)nc1)[C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 1057017671 IPGXZPHWEBYQSP-STQMWFEESA-N 314.349 -0.328 30 20 DBED C=C[C@](C)(O)CC(=O)N(CCO)CCNC(=O)c1ncccn1 1057452369 ZCMIUCLACMVDRB-HNNXBMFYSA-N 322.365 -0.646 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)COCC(F)F 1058143749 JHYLDYWWTHOCDL-UHFFFAOYSA-N 320.336 -0.135 30 20 DBED COc1ccc(C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N)o1 1058654816 IXMHRTJWSGWPMP-JTQLQIEISA-N 309.322 -0.001 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@H](C)C#N 1058661397 VGNKTFGEUSIQKR-KGLIPLIRSA-N 320.393 -0.819 30 20 DBED CC(C)(C(N)=O)C(=O)N1CC[C@H](N=c2cc[nH]cc2C#N)C1 1058988805 XKZFOPFARRXQJT-NSHDSACASA-N 301.350 -0.101 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CC[C@H](NC(=O)[C@H]2CNC(=O)N2)CC1 1060800994 LXRBPVZCPUGHKV-FIQHERPVSA-N 321.381 -0.381 30 20 DBED C=CCOCC(=O)N1CCC2(CC1)CN(C(=O)CC(N)=O)C2 1060958670 WTZARGRQVXBUQT-UHFFFAOYSA-N 309.366 -0.485 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1COCCN1C(=O)Cn1cncn1 1061572207 QKXQOXJNJBXSOH-CYBMUJFWSA-N 317.349 -0.965 30 20 DBED C=CCCC(=O)N1CCOC[C@H]1CNC(=O)CC(=O)N(C)C 1061597208 QAZIKALCJSHMQK-GFCCVEGCSA-N 311.382 -0.226 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CCCCN1C(=O)Cn1ncnn1 1062232854 RXCWEYOMYQFHFJ-WDEREUQCSA-N 305.342 -0.670 30 20 DBED N#Cc1cncc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)c2c[nH]c(=O)cn2)n1 1064334400 RTPZYNIXUFMPNY-FDLBOYPASA-N 323.316 -0.561 30 20 DBED C=CCCC(=O)N1CCO[C@@H](CNC(=O)C2CN(C(C)=O)C2)C1 1064955879 MZYZPCVLVRGOIG-AWEZNQCLSA-N 323.393 -0.226 30 20 DBED C=C(C)CCC(=O)N1CCO[C@@H](CNC(=O)[C@H]2CCC(=O)N2)C1 1065220353 NBJDVSGMFDLNTL-QWHCGFSZSA-N 323.393 -0.035 30 20 DBED C[C@]1(NC(=O)[C@@H]2CCC(=O)N2)CCN(c2ccc(C#N)nn2)C1 1065268863 IOYCKHNIKAFDFK-NHYWBVRUSA-N 314.349 -0.288 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(C(=O)Cc2cnoc2)CCO1 1065497568 YOYQYFJPUMWURN-CQSZACIVSA-N 317.345 -0.026 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@H](CNC(=O)Cc2ncc[nH]2)C1 1065557638 SXFUIWKLERRUBO-WDEREUQCSA-N 305.338 -0.545 30 20 DBED C=CCCC(=O)N1CCN([C@H]2CCN(C(=O)CC(N)=O)C2)CC1 1065694742 OQQSUWZHXSWFNH-ZDUSSCGKSA-N 322.409 -0.427 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCCN(C)C(=O)C(=O)NCC1CC1 1068037228 LKWOYSVPICNRCC-NSHDSACASA-N 308.382 -0.021 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1COC2(C1)CN(C(=O)c1cnccn1)C2 1069003157 KLHJKHCABCQXDC-GHMZBOCLSA-N 315.333 -0.264 30 20 DBED Cc1cc(CC(=O)N[C@@H]2CN(CC#N)C[C@@H]2n2ccnn2)n[nH]1 1069908142 IFWBTKVLRBKVSV-OLZOCXBDSA-N 314.353 -0.583 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)C[C@H]2COC(=O)C2)C1 1069910092 FBMRAUOKCFJRRI-UPJWGTAASA-N 319.365 -0.241 30 20 DBED CCn1nccc1C(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1 1069915251 UNDFVRRZQIHDHV-YPMHNXCESA-N 314.353 -0.327 30 20 DBED C=CCOCC(=O)N1CCC[C@@H](NC(=O)[C@H]2CCC(=O)N2C)C1 1070555344 WHYMYESYKVAWAI-CHWSQXEVSA-N 323.393 -0.083 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)c2cnnc(C)c2)CC1 1070958446 ABSCMFRSOJKIST-UHFFFAOYSA-N 315.377 -0.318 30 20 DBED C#CCN1CCN([C@H]2CCCN(C(=O)[C@H]3CCOC3)C2)C(=O)C1 1071255694 UJAWWDJEHANAET-GJZGRUSLSA-N 319.405 -0.209 30 20 DBED C#CCC1(C(=O)N[C@@H]2CN(C(=O)CNC(N)=O)C[C@@H]2C)CCC1 1071570320 OFCQFXNDMVMPPS-NWDGAFQWSA-N 320.393 -0.189 30 20 DBED CC(C)C#CC(=O)N[C@H]1CN(C(=O)Cn2nccn2)C[C@H]1C 1072184422 VZUZKKJLMWSRBY-OLZOCXBDSA-N 303.366 -0.099 30 20 DBED C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1NC(=O)CC#Cc1ccccc1 1072641075 KFHOEXXBIAMTDZ-TZMCWYRMSA-N 313.357 -0.123 30 20 DBED CC#CCN1CCC2(C1)CN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)C2 1072977155 PYZOAJHRRDKZMH-QWHCGFSZSA-N 305.378 -0.423 30 20 DBED C=CCN1CCCO[C@H](CNC(=O)c2nccnc2C(N)=O)C1 1073880532 LTKAJPBEORRCCI-LLVKDONJSA-N 319.365 -0.418 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCN(C(=O)COCC)C[C@@H]1C 1073890422 IMXMCLSUVUDVOC-QWHCGFSZSA-N 323.393 -0.484 30 20 DBED N#CCN1CCO[C@H]2CCN(C(=O)c3cc[n+]([O-])cc3)C[C@H]21 1074158870 VXKVHNKHCQEEGS-KGLIPLIRSA-N 302.334 -0.241 30 20 DBED N#CCN[C@@H]1CCO[C@@H](C2CCN(C(=O)CC(N)=O)CC2)C1 1075388950 VJPHDFZXZUEKQY-CHWSQXEVSA-N 308.382 -0.239 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCn3cncc3C2)C1 1077251564 GOXPJDFPVAIQTN-NWANDNLSSA-N 302.378 -0.370 30 20 DBED C=CCOCC(=O)N[C@@H](C)CCNC(=O)C[C@@H]1CCC(=O)N1 1077334422 HUDYACPSWMVFDJ-RYUDHWBXSA-N 311.382 -0.131 30 20 DBED C[C@@H](CCNC(=O)c1ccc2nnnn2c1)NC(=O)[C@H](C)C#N 1077359628 STEQFJGUAJCPMH-ZJUUUORDSA-N 315.337 -0.091 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)c1ccncn1 1077977074 IUXBAYYFYBASOZ-NSHDSACASA-N 317.349 -0.759 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)c2cccnc2OCC#C)C1 1078027876 MIIWVPRUPSHRJD-HUUCEWRRSA-N 313.357 -0.108 30 20 DBED C=CCO[C@@H](C)C(=O)N(C)[C@@H]1CCCN(C(=O)C(N)=O)CC1 1078990987 OBIXJKICHVNEAJ-NWDGAFQWSA-N 311.382 -0.098 30 20 DBED C#CCOCCC(=O)N(CC)C1CN(C(=O)C2(C(N)=O)CC2)C1 1079773381 INEVBNLGKHGDSO-UHFFFAOYSA-N 321.377 -0.649 30 20 DBED C=CCCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)CC(=O)NC)C1 1081432949 FOAQNSQPDPPXAE-VXGBXAGGSA-N 311.382 -0.586 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)c2ccnn2C)C[C@@H]1O 1081463870 TUIIFXYVOHRBMX-OCCSQVGLSA-N 318.377 -0.371 30 20 DBED CC(C)C#CC(=O)N1C[C@H](CNC(=O)C(C)(C)C(N)=O)[C@@H](O)C1 1081557869 BTJFKRFVPBPBFH-RYUDHWBXSA-N 323.393 -0.907 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CN(Cc3ccon3)C[C@@H]2O)[nH]1 1083413252 GDARPPOSRORMCD-OLZOCXBDSA-N 301.306 -0.151 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)[C@H]2CCCC(=O)N2C)C1 1084009394 MQESBUOLNBKHCC-UTUOFQBUSA-N 315.801 -0.089 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2ccc(=O)n(CCC)n2)C1 1084046881 OICKKPKRIHVSRZ-OLZOCXBDSA-N 304.350 -0.939 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2[nH]nnc2-c2ccccc2)C1 1084097225 JIWYAHLIWBLODP-NEPJUHHUSA-N 312.333 -0.230 30 20 DBED CC#CCN1CC[C@@H]2CN(C(=O)CN3CCNC(=O)C3)C[C@@H]2C1 1088065442 URFIKKRNQSDRKR-CABCVRRESA-N 318.421 -0.778 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cnc3[nH]nnc3c2)[C@H](O)C1 1090325385 BFBORLZRUVVNFS-CMPLNLGQSA-N 300.322 -0.849 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2cc(O)nc(C3CC3)n2)[C@H](O)C1 1090340862 DSLODKFZAGXMIN-ZYHUDNBSSA-N 317.349 -0.252 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2ncc(OC)cn2)[C@H](O)C1 1090419952 LZXZUBYURNYZOM-CHWSQXEVSA-N 304.350 -0.327 30 20 DBED C=CCCN1CC[C@H](NC(=O)Cn2nnnc2C(C)C)[C@H](O)C1 1090635097 ZIVIMTLTQPGACI-QWHCGFSZSA-N 322.413 -0.076 30 20 DBED C=CCN1CC[C@@H](NC(=O)C(C)(C)N2CCOCC2)[C@H](O)C1 1090636784 CLXQNKAORGQCKF-ZIAGYGMSSA-N 311.426 -0.165 30 20 DBED N#CCN1CC[C@H](NC(=O)c2cccc(NC(N)=O)c2)[C@H](O)C1 1090797933 IPSFOIPKPHWXKZ-QWHCGFSZSA-N 317.349 -0.134 30 20 DBED C=CCCN1CC[C@@H](NC(=O)c2cncc(C(N)=O)c2)[C@@H](O)C1 1090820077 MIQQPEZPBWGOMK-KGLIPLIRSA-N 318.377 -0.078 30 20 DBED CC[C@H](OC)C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@@H]1O 1091087828 RVYXHPGIWQXACV-WOPDTQHZSA-N 305.338 -0.561 30 20 DBED N#Cc1ccc(N[C@H]2C[C@H](CNC(=O)CCNC(N)=O)C2)nn1 1091457712 SGQUKYDVRXXGTL-HOMQSWHASA-N 317.353 -0.287 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)c3cn(C)nn3)c3nccn32)C1 1092369392 ZWFWCZMNAMPYRD-LLVKDONJSA-N 311.349 -0.470 30 20 DBED COC[C@@H](OC)C(=O)N[C@H]1[C@@H]2CN(c3ccnc(C#N)n3)C[C@@H]21 1093345561 PQBGXELHLXVRNQ-DEKYYXRVSA-N 317.349 -0.440 30 20 DBED CCN1CCO[C@@H](C(=O)NCCN=c2cc[nH]c(C#N)n2)C1 1093654825 QHOLZGGLPDQHMI-LLVKDONJSA-N 304.354 -0.981 30 20 DBED C#CCN1CC(n2cc(CNC(=O)c3cnn(CC)c3)nn2)C1 1094280926 BJJPVKLPEUAKPL-UHFFFAOYSA-N 313.365 -0.086 30 20 DBED C#CCCN1CC(N2C[C@@H](NC(=O)[C@H]3CCCN3C)CC2=O)C1 1094714639 YXOVHWBUHPJOLT-DZGCQCFKSA-N 318.421 -0.495 30 20 DBED C#CCCN1CC(N2C[C@@H](NC(=O)[C@H]3CCCCO3)CC2=O)C1 1094722985 ZSGPPGFVPHMXKD-DZGCQCFKSA-N 319.405 -0.020 30 20 DBED CC(=O)N[C@@H](C)C(=O)N1CC[C@H](N(C)c2cnc(C#N)cn2)C1 1095089985 IOPFGIXOVQLKGN-GWCFXTLKSA-N 316.365 -0.090 30 20 DBED C[C@H](CC(N)=O)C(=O)NCCCN(C)c1cncc(C#N)n1 1095705028 RSNWRKXULJVHHH-SNVBAGLBSA-N 304.354 -0.198 30 20 DBED CO[C@@H](C)C(=O)NCCN1CCN(c2ccnc(C#N)n2)CC1 1096270591 AYXBZBVCLGOJKN-LBPRGKRZSA-N 318.381 -0.379 30 20 DBED N#Cc1cncc(N[C@H]2CCN(C(=O)CCNC(N)=O)C2)n1 1096938591 ZZBOKRLJVNDGBQ-VIFPVBQESA-N 303.326 -0.581 30 20 DBED CNC(=O)CCCC(=O)NC[C@H](C)N=c1cc[nH]c(C#N)n1 1097787163 CFZOUYRAKDKJPU-JTQLQIEISA-N 304.354 -0.397 30 20 DBED CCS(=O)(=O)CC(=O)NC[C@H](C)Nc1nccnc1C#N 1097900013 GRBYVPWBFPOTCA-VIFPVBQESA-N 311.367 -0.300 30 20 DBED C[C@@H](CNC(=O)[C@@]1(C)CCNC1=O)Nc1nccnc1C#N 1098261086 LVWAVOKTAIPQAP-XPTSAGLGSA-N 302.338 -0.209 30 20 DBED C#CCN(CCO)C1CCN(C(=O)c2cnnc(O)c2)CC1 1098399280 HMLVJFJSBOBASY-UHFFFAOYSA-N 304.350 -0.286 30 20 DBED N#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCS(=O)(=O)C2)C1 1098931047 LUKAUSZQAAJHAL-OBJOEFQTSA-N 311.407 -0.085 30 20 DBED CCn1nccc1C(=O)N[C@H]1CCN(CC#CCOC)C[C@@H]1O 1099787985 ADFIGJMZKCIXRG-ZFWWWQNUSA-N 320.393 -0.282 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CCN(Cc2ncnn2C)C[C@H]1O 1099821158 QKKWWENVSGSLJA-CHWSQXEVSA-N 305.382 -0.474 30 20 DBED N#CCN1CC[C@H](NC(=O)CCCNC(=O)C2CC2)[C@@H](O)C1 1099863015 HDKBXIKIGPNCBC-STQMWFEESA-N 308.382 -0.632 30 20 DBED N#CCNC(=O)CN1CC[C@@H](NC(=O)[C@@H]2C[C@@H]3C[C@@H]3C2)[C@H](O)C1 1099952490 URHHXAACWSPAAT-MBJXGIAVSA-N 320.393 -0.776 30 20 DBED COC(=O)[C@@H]1C[C@@H]1C(=O)NCCN(C)c1cncc(C#N)n1 1099961437 SXOQXPOMOKVPHH-WDEREUQCSA-N 303.322 -0.290 30 20 DBED CCCN(C)CC(=O)N[C@@H]1CCN(CC#CCOC)C[C@@H]1O 1100082900 JUCQZRPERLFINQ-CABCVRRESA-N 311.426 -0.471 30 20 DBED C=CCCCN1CC[C@H](NC(=O)c2ccc(=O)n(C)n2)[C@H](O)C1 1100096583 JQSOUTNYIDTGMR-GXTWGEPZSA-N 320.393 -0.089 30 20 DBED CN(CCNC(=O)c1cn(C)c(=O)n1C)c1ccncc1C#N 1100153334 HHNLZFYDKPYJLJ-UHFFFAOYSA-N 314.349 -0.143 30 20 DBED CN1C[C@H](C(=O)NCCN(C)c2ccc(C#N)cn2)NC1=O 1100255365 LWZUYMVBLXXRQD-LLVKDONJSA-N 302.338 -0.471 30 20 DBED O=C(C#CC1CC1)NCC1CC(NCCN2C(=O)CNC2=O)C1 1100315137 VOVZYNCOCFADQZ-UHFFFAOYSA-N 318.377 -0.564 30 20 DBED CCN1CCO[C@H](C(=O)NCC2CC(NCC#CCOC)C2)C1 1101006726 WNVWTILPPIDGAB-GPANFISMSA-N 323.437 -0.159 30 20 DBED C#CCOCCC(=O)N1C[C@H]2CN([C@H](C)C(=O)NC)C[C@@]2(C)C1 1101236270 PXCNFVXOQKGHLI-CPUCHLNUSA-N 321.421 -0.059 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN([C@@H]2CCCNC2=O)C[C@H]1C 1101962138 WTDQWBYBTWJMFL-RBSFLKMASA-N 321.421 -0.011 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)[C@@H]1COCCO1 1104479248 INYKEKUZWVHQGV-MNOVXSKESA-N 305.338 -0.556 30 20 DBED N#CCNCc1cn(C2CN(C(=O)Cc3cncs3)C2)nn1 1105264770 PHYWUOWXOMGZBV-UHFFFAOYSA-N 317.378 -0.026 30 20 DBED CC#CCNCc1cn(C2CN(C(=O)c3ncccn3)C2)nn1 1105349069 CVQCPIVUNBVJEL-UHFFFAOYSA-N 311.349 -0.122 30 20 DBED CN1C[C@H](C(=O)N(C)CCN(C)c2nccnc2C#N)NC1=O 1105536260 UEGSUPLQLIVULB-LLVKDONJSA-N 317.353 -0.734 30 20 DBED CC#CCN[C@@H]1C[C@@]2(C[C@H]1O)CN(C(=O)CC(N)=O)[C@H]2C(C)C 1105610949 ODKNSDOTCIEOFT-UTJXIGIESA-N 321.421 -0.149 30 20 DBED N#Cc1nccnc1NC[C@@H]1CCC[C@H]1NC(=O)CC(N)=O 1105652260 QNAYZMRBZWHWFH-VHSXEESVSA-N 302.338 -0.080 30 20 DBED Cc1ocnc1C(=O)NC[C@H](O)CNc1cnc(C#N)cn1 1105730309 YDOMZSKFLMYJOF-SNVBAGLBSA-N 302.294 -0.153 30 20 DBED CCn1cc(C(=O)NC[C@@H](O)CNc2ccc(C#N)cn2)nn1 1105954493 XYSSOTYJCNCYQI-NSHDSACASA-N 315.337 -0.233 30 20 DBED Cc1ccc(C#N)c(NC[C@H](O)CNC(=O)[C@H](C)CC(N)=O)n1 1106060217 QBHNWZOIOBEPSO-SKDRFNHKSA-N 319.365 -0.338 30 20 DBED CCc1nc(C#N)cc(NC[C@H](O)CNC(=O)c2cnn[nH]2)n1 1106171901 MGPDYHQXILSXJJ-VIFPVBQESA-N 316.325 -0.768 30 20 DBED COC[C@@H](OC)C(=O)N[C@H](C)CCN=c1cc[nH]c(C#N)n1 1106562918 XCUOGHSEAIKVSK-GHMZBOCLSA-N 307.354 -0.262 30 20 DBED C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CNCC(N)=O)C2)nc1 1106897638 KAYSYUNZLAERSN-DGCLKSJQSA-N 300.362 -0.154 30 20 DBED C=CCCC(=O)NCc1cn(C2CN(CC(=O)NCC)C2)nn1 1107142799 QFBVFJRYBYVKGD-UHFFFAOYSA-N 320.397 -0.147 30 20 DBED CNC(=O)NC(C)(C)C(=O)N[C@H](C)CN=c1cc[nH]c(C#N)n1 1107800428 OAOHECQOFPIJIU-SECBINFHSA-N 319.369 -0.606 30 20 DBED Cc1cc(=NC[C@@H](C)NC(=O)Cn2ncnn2)c(C#N)c[nH]1 1107943356 PDKOTSIBRISISI-SNVBAGLBSA-N 300.326 -0.713 30 20 DBED C=CCN1CCO[C@@](C)(CNC(=O)[C@@H](C)NC(=O)COC)C1 1107965197 SDYRRYMHTWIZAV-DOMZBBRYSA-N 313.398 -0.469 30 20 DBED C[C@H](CN(C)c1ccc(C#N)nn1)NC(=O)c1cc(=O)n(C)o1 1108917684 LJTNQZWVMIJTMK-SECBINFHSA-N 316.321 -0.105 30 20 DBED C[C@@H](CN(C)c1ccc(C#N)nn1)NC(=O)[C@H]1CCCNC1=O 1109128299 NTTCJUVSLAQCFU-JQWIXIFHSA-N 316.365 -0.185 30 20 DBED C#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NC(=O)NC 1109208608 VSSIYZKRJQKRFL-AGIUHOORSA-N 320.393 -0.033 30 20 DBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C[C@H]1CCCO1 1110313170 BTVPHZYLMGVPNV-SYQHCUMBSA-N 320.393 -0.083 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCN1C(=O)CCC1=O 1110785024 ZBMRZZHQWVGZHB-UPJWGTAASA-N 303.362 -0.120 30 20 DBED CNC(=O)NCC(=O)N[C@]1(C)CCN(c2ccc(C#N)cn2)C1 1110822540 NEATZEKVYJFLKK-OAHLLOKOSA-N 316.365 -0.033 30 20 DBED COCCCC(=O)N(C)[C@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1111172132 MDUKVNLVNHGKPG-STQMWFEESA-N 319.365 -0.217 30 20 DBED COCCC(=O)N[C@]1(CO)CCCN(c2ccnc(C#N)n2)C1 1111329619 GRFNYSSJBPQTFR-OAHLLOKOSA-N 319.365 -0.168 30 20 DBED CC(=O)NCC(=O)N1CCO[C@@H](CNc2ccc(C#N)cn2)C1 1111930025 UIVLMNSUNUJBOB-ZDUSSCGKSA-N 317.349 -0.271 30 20 DBED C[C@H]1CN(c2ncccc2C#N)CC[C@H]1NC(=O)CNC(N)=O 1112393306 QUODZLSCAZUDLA-CMPLNLGQSA-N 316.365 -0.047 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CCN(c2nccnc2C#N)[C@@H](C)C1 1112467560 PKTLKCIZCNVAJJ-CMPLNLGQSA-N 316.365 -0.042 30 20 DBED Cc1cc(C#N)nc(N[C@@H](C)[C@H](C)NC(=O)Cn2cnnn2)n1 1112906021 VAIUKHSODZINCQ-UWVGGRQHSA-N 315.341 -0.352 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)CCc2cnc[nH]2)CC1 1112937109 UIEJIUCZVQDODN-UHFFFAOYSA-N 304.354 -0.874 30 20 DBED C[C@@H](CNC(=O)c1cn(C)nn1)N(C)c1cncc(C#N)n1 1113581416 SCSVDVFUTCICBB-VIFPVBQESA-N 300.326 -0.269 30 20 DBED C=CCCC(=O)NC1[C@H]2CN(CC(=O)NC(=O)NC3CC3)C[C@H]12 1114003908 FDHRJMBVMALEAP-RYUDHWBXSA-N 320.393 -0.013 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1[C@@H]2CN(CC(=O)Nc3ccon3)C[C@@H]21 1114070454 ZIOBDFZCGYYONH-QISWUMQESA-N 303.322 -0.181 30 20 DBED C#CCOCCC(=O)N[C@H]1[C@@H]2CN([C@@H](C)C(=O)N(C)C)C[C@@H]21 1114268589 OKMQORWSWUFPRD-RMRHIDDWSA-N 307.394 -0.451 30 20 DBED C=CCC[C@@H](C)N1C[C@H]2[C@H](NC(=O)CN3CC(=O)NC3=O)[C@H]2C1 1114979750 DHRVJGRSCRURCB-FJJYHAOUSA-N 320.393 -0.061 30 20 DBED C#CCN1C[C@@H]2C(NC(=O)CCCCCS(N)(=O)=O)[C@H]2C1 1115368490 RVZFMJGAXWWLHA-RYUDHWBXSA-N 313.423 -0.485 30 20 DBED C=CCNC(=O)CNC1(CNC(=O)CC(N)=O)CCCCC1 1115458487 HUVCIXAENSVAQX-UHFFFAOYSA-N 310.398 -0.427 30 20 DBED C[C@H](C#N)CN(C)C(=O)C(=O)N1CCC2(CCNC2=O)CC1 1119025872 NETCPHJBCURAHP-LLVKDONJSA-N 306.366 -0.267 30 20 DBED COCC(=O)N1CCC[C@H]([C@H]2CCCN2CC(=O)NCC#N)C1 1120279097 DUSZIWNLUMDHFA-UONOGXRCSA-N 322.409 -0.024 30 20 DBED Cc1cc(C#N)nc(N[C@@H](CO)CNC(=O)[C@H]2CCCOC2)n1 1121198939 SWVRZXRLHOILCN-WCQYABFASA-N 319.365 -0.028 30 20 DBED Cc1[nH]nc(C(=O)NC[C@@H](CO)Nc2ccc(C#N)nn2)c1O 1121456014 UJIJKXVHUPRXJC-VIFPVBQESA-N 317.309 -0.712 30 20 DBED Cc1cc(C#N)nc(N[C@H](CO)CNC(=O)CC(C)(C)O)n1 1121504601 HBMCRWPYCZSXSD-NSHDSACASA-N 307.354 -0.293 30 20 DBED COCC[C@@H](C)C(=O)NC[C@@H](CO)Nc1ccc(C#N)nn1 1121607170 NARUMEILUVSGBO-PWSUYJOCSA-N 307.354 -0.090 30 20 DBED Cn1cncc1CC(=O)NC[C@@H](CO)Nc1ncccc1C#N 1121799122 CDTMXBFAPCGDOJ-LBPRGKRZSA-N 314.349 -0.182 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)[C@@H]2CCCNC2=O)cn1 1122147243 KQFGIAOMXZQRME-CHWSQXEVSA-N 317.349 -0.632 30 20 DBED Cc1cc(=N[C@H](CO)CNC(=O)c2[nH]nnc2C)c(C#N)c[nH]1 1122385130 JPHFYLVFBZJBTL-NSHDSACASA-N 315.337 -0.687 30 20 DBED CO[C@@H](C)CC(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1 1122408232 LNLDLAUALMVZFO-VHSXEESVSA-N 302.352 -0.623 30 20 DBED Cc1nn(CC(=O)[C@H](C#N)C(=O)c2nccn2C)c(=O)n1C 1122652745 NEUZOMOPFLTUGR-VIFPVBQESA-N 302.294 -0.785 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)c2c[nH]c(C#N)c2)C1=O 1125988143 MYAHWMUTOHPCRW-ZDUSSCGKSA-N 301.350 -0.007 30 20 DBED C=CCN1C[C@H]2C[C@H]3CN(C(=O)C[C@H](C)NC(N)=O)C[C@@]3(C1)O2 1131230070 DKMSCNZHAYFPJM-BCUIYNNISA-N 322.409 -0.079 30 20 DBED C=CCCN1C[C@H]2C[C@@H]3CN(C(=O)CCNC(N)=O)C[C@@]3(C1)O2 1131289900 SDTQLGCTKBTMFL-XJKCOSOUSA-N 322.409 -0.077 30 20 DBED C#CCNC[C@@H]1CN(C(=O)CCS(=O)(=O)NC)CC[C@@H]1C 1132828658 WNVMMGFNQOITHI-QWHCGFSZSA-N 315.439 -0.367 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1cc(-c2ccco2)[nH]n1 1134220340 OJNOOCMQGLTDNS-UHFFFAOYSA-N 316.321 -0.371 30 20 DBED Cc1oc(C2CC2)nc1C(=O)NCCNCC(=O)NCC#N 1136040143 MGDXWGDQUQBAKF-UHFFFAOYSA-N 305.338 -0.180 30 20 DBED COCC#CCN1CCC2(C1)CN(C(=O)[C@@H](C)NC(C)=O)C2 1146985743 KXGLFDDLBGMMEL-CYBMUJFWSA-N 307.394 -0.305 30 20 DBED C=CCOCC(=O)N1CC2(CCN([C@@H]3CCC(=O)NC3=O)C2)C1 1147260927 KMTLBNPAJSFDQY-GFCCVEGCSA-N 321.377 -0.472 30 20 DBED C=CCN1CCC2(C1)CN(C(=O)CCS(=O)(=O)N(C)C)C2 1148820654 ZNMNYQCGRNLIJV-UHFFFAOYSA-N 315.439 -0.012 30 20 DBED CCN(CC#N)[C@H](C)CNC(=O)Cn1nc2ccccn2c1=O 1154548892 HJBURPGZKMBQQE-GFCCVEGCSA-N 316.365 -0.154 30 20 DBED COCC1(CNC(=O)[C@@H]2CC[C@@H]2C(N)=O)CCN(CC#N)CC1 1162402029 ZPVDZQZYFKKVJM-QWHCGFSZSA-N 322.409 -0.134 30 20 DBED Cc1nnc(O)c(C(=O)NCCCNCC(=O)NCC#N)c1C 1163717588 PKDQQVBCAYYOGW-UHFFFAOYSA-N 320.353 -0.852 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)[C@]2(C)CCC(=O)N2)C1=O 1166097784 LAHIRGAGUDGTSL-LRDDRELGSA-N 322.409 -0.462 30 20 DBED C[C@@H](C[C@@H]1CCCO1)C(=O)NCCCNCC(=O)NCC#N 1177229632 KWKANWCRNALMJJ-STQMWFEESA-N 310.398 -0.073 30 20 DBED N#CCNC[C@H]1C[C@H]2CC[C@H]1N(C(=O)CN1CC(=O)NC1=O)C2 1177913590 CNHCSNOSEDSQHD-IJLUTSLNSA-N 319.365 -0.722 30 20 DBED C#CCOCCC(=O)N1CC[C@H](N[C@@H]2CCCNC2=O)[C@@H]1C 1178682211 YTECLHXIKJZKSH-MELADBBJSA-N 307.394 -0.116 30 20 DBED C=CCCCN[C@H]1CCN(C(=O)CN2CCNC(=O)C2)[C@H]1C 1179295864 UXAANQUAMOOYHT-KBPBESRZSA-N 308.426 -0.037 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2cc(COC)on2)C1 1186145079 HCAKYIFFYHCPII-LLVKDONJSA-N 320.349 -0.626 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)Cc2nc[nH]n2)C1 1186967939 FEQFJJYBFBYAGT-GHMZBOCLSA-N 306.370 -0.772 30 20 DBED N#CCN[C@@H]1CCN(C(=O)CCNC(=O)c2cnccn2)C1 1187954093 QARGPIOCLDZZMT-LLVKDONJSA-N 302.338 -0.689 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2nonc2C)C1 1188405126 FRXPQEBVRARBIQ-WDEREUQCSA-N 307.354 -0.127 30 20 DBED COCC#CCN1C[C@@H]2CCN(C(=O)[C@@H]3CCN(C)C3=O)[C@@H]2C1 1188840123 YXDUPCLDULELQV-RRFJBIMHSA-N 319.405 -0.353 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)Cc2cc(C)[nH]n2)C1 1189611225 KMGWALIIEMRYQN-AWEZNQCLSA-N 317.393 -0.457 30 20 DBED COCC#CCN(C)[C@@H]1CCN(C(=O)C[C@H](C)NC(N)=O)C1 1190156002 PIPHOBAUBOYWSX-QWHCGFSZSA-N 310.398 -0.384 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)[C@H](C)NC(=O)CC)C1 1190307353 IKEKTXNXAMBWBZ-QWHCGFSZSA-N 322.409 -0.817 30 20 DBED C=CCOCCN(C)[C@@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 1190712354 LWRQBGDMPOXBRZ-NEPJUHHUSA-N 324.381 -0.680 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)C(CC)CC)C1 1191203816 OCZLUGICBYRNNI-MRVWCRGKSA-N 309.410 -0.278 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)[C@@H]2CCC(=O)N2C)C1 1191800260 PAGPBUGOQBGROJ-STQMWFEESA-N 322.409 -0.558 30 20 DBED N#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C2[C@@H]3CCCC[C@@H]23)C1 1192028113 FXSVAXMOPBSRHR-FDYHWXHSSA-N 320.393 -0.776 30 20 DBED CC#CCN(C)[C@H]1CCN(C(=O)Cn2nc(C)n(C)c2=O)C1 1193787706 RVYGEURITOMWIY-ZDUSSCGKSA-N 305.382 -0.554 30 20 DBED CC[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CN(CC#CCOC)C[C@H]1O 1193883155 JELORBDMJWXHHK-TUVASFSCSA-N 310.394 -0.387 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)CC(C)(C)COC)C1 1194924791 XJUKYGYVDMYYPI-ZIAGYGMSSA-N 312.410 -0.140 30 20 DBED CO[C@@H](C)CCC(=O)N1CCCN(CC(=O)NCC#N)CC1 1195549404 HONWKSMMABGWBB-ZDUSSCGKSA-N 310.398 -0.024 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)[C@H](C)CS(C)(=O)=O)C1 1199146302 SAZOQTVQPSRXKJ-FBIMIBRVSA-N 324.830 -0.419 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCC(NCC(=O)NC(N)=O)CC1 1200334717 SKLXBHDVGIGZDJ-AWEZNQCLSA-N 312.370 -0.911 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)C[C@H](C)NC(N)=O)CCCO1 1200509173 FKPSJQYNKVMRJP-QWHCGFSZSA-N 310.398 -0.336 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC(N[C@H]2CCN(C)C2=O)CC1 1200542311 YLCRZWMYIXRPCC-OCCSQVGLSA-N 307.394 -0.164 30 20 DBED COCC#CCNC1CCN(C(=O)[C@]2(C)CCC(=O)N2)CC1 1202372369 RKZQPAKHOALXFD-INIZCTEOSA-N 307.394 -0.115 30 20 DBED CC#CCNC1CCN(C(=O)C2CC3(C2)NC(=O)NC3=O)CC1 1202881528 YZDJCYYJQNYNMM-UHFFFAOYSA-N 318.377 -0.422 30 20 DBED C#CCCN[C@@H]1C[C@H](NC(=O)CS(=O)(=O)NC)C12CCC2 1203744480 ZSULRMBVWULQKK-NEPJUHHUSA-N 313.423 -0.424 30 20 DBED C#CCNCC1CCN(C(=O)CN2C(=O)CN(C)C2=O)CC1 1206916331 FZQDMRIBJBWISK-UHFFFAOYSA-N 306.366 -0.658 30 20 DBED CC(C)(C)C(=O)C(=O)N1CCC[C@@H](NCC(=O)NCC#N)C1 1207698148 NPLVDHVDGYYXMZ-LLVKDONJSA-N 308.382 -0.178 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)C(=O)C(C)(C)C)C1 1207698811 YIXCFLCBLVTUGL-GFCCVEGCSA-N 307.394 -0.068 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@H]1CCCN(C(=O)c2cnn[nH]2)C1 1208486729 RNWGNDRQZZIHKD-MNOVXSKESA-N 306.370 -0.310 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)CCc2cnn[nH]2)C1 1209691889 ZMUXVPMMTUKSJH-CYBMUJFWSA-N 320.397 -0.380 30 20 DBED C#CCCN[C@@H]1CCCN(C(=O)COCc2nncn2C)C1 1210416080 BDEXWKMIAQGZDG-CYBMUJFWSA-N 305.382 -0.064 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCCN(C(=O)Cc2nc[nH]n2)C1 1210586003 SQECNMYYIGHQAD-NEPJUHHUSA-N 318.381 -0.934 30 20 DBED C#CCN1C[C@@H](NC(=O)C[C@H](C)N2CCCC2=O)[C@H](OC)C1 1213717022 MCVIVHMKAODBQI-BFHYXJOUSA-N 307.394 -0.164 30 20 DBED C#CCOCCC(=O)N1C[C@@H](NCc2cnn(C)n2)[C@H](C)C1 1214609083 YFGJYXJJBCALCF-TZMCWYRMSA-N 305.382 -0.209 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2cnco2)C[C@H]1C 1215264926 XRSBFDUTQJVFIC-GRYCIOLGSA-N 304.350 -0.137 30 20 DBED COCC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cncnc1 1217673606 CGTAYCKZPMBDBV-LSDHHAIUSA-N 316.361 -0.348 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)C[C@@](C)(O)C2CC2)C1 1219479972 INFHUOOKPJLNMU-IJEWVQPXSA-N 312.410 -0.099 30 20 DBED C#CCC1(C(=O)N[C@@H]2CN([C@H]3CCNC3=O)C[C@@H]2O)CCC1 1219785751 YWTCDMNSQGJZKG-AGIUHOORSA-N 305.378 -0.770 30 20 DBED CCn1ccc(C(=O)N[C@@H]2CN(CC#CCOC)C[C@@H]2O)n1 1220478559 CNHDPKLBFNJUHL-KGLIPLIRSA-N 306.366 -0.672 30 20 DBED COc1ccc(OCC(=O)N[C@@H]2CN(CC#N)C[C@@H]2O)cc1 1220961728 DVWZKZRAXQFRCX-KGLIPLIRSA-N 305.334 -0.241 30 20 DBED C=CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3ccn(C)n3)[C@@H]2C1 1222015218 UKWRKDCJAUMUHC-TZMCWYRMSA-N 317.393 -0.131 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)Cn2cccn2)CC1 1222377642 VKQTUUFQUCEMNG-UHFFFAOYSA-N 317.393 -0.539 30 20 DBED N#CCN1CCC(CNC(=O)Cn2ccc(O)nc2=O)CC1 1223757271 BTPPWWHTZKSEGI-UHFFFAOYSA-N 305.338 -0.699 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)[C@H]2CCCN2C)CC1 1226608887 YOBAUKWJNBBZDQ-CQSZACIVSA-N 308.426 -0.037 30 20 DBED CNC(=O)C1(C(=O)NC2CCN(CC#CCOC)CC2)CC1 1229601962 ZXJKDHPZZYLYHB-UHFFFAOYSA-N 307.394 -0.257 30 20 DBED CN(C[C@H]1CCN1CCOCCO)C(=O)CSCC#N 1230815569 PWNNTEOBBVOJOW-GFCCVEGCSA-N 301.412 -0.215 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@H]1CN(C)C(=O)CN(C)C(C)=O 1230829125 JSDPPCIREOOOGV-OCCSQVGLSA-N 322.409 -0.865 30 20 DBED COC(=O)C1(C#N)CCN(S(=O)(=O)c2cn(C)cn2)CC1 1258998990 LHDJUEVZTWUKBW-UHFFFAOYSA-N 312.351 -0.112 30 20 DBED CC#CCCNC(=O)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1 1261087747 VIKBROMKNVSWCF-LBPRGKRZSA-N 303.366 -0.355 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)Cn2cc(Cl)cn2)C1 1266551921 FEALYTVIEZNZDR-LBPRGKRZSA-N 323.784 -0.524 30 20 DBED C[C@@H](OC(=O)Cn1ccc(O)nc1=O)C(=O)NC1(C#N)CCC1 1320652063 GNYNGVRLPYRBCX-SECBINFHSA-N 320.305 -0.557 30 20 DBED C=CCSCCNC(=O)C(=O)NC[C@H]1CC[C@H](C(N)=O)O1 1321939669 SJTGBNHJTRBYFW-NXEZZACHSA-N 315.395 -0.829 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)NC[C@@H]1CCCCS1(=O)=O 1323819066 DCMFSEVZKFNBGK-MNOVXSKESA-N 318.395 -0.613 30 20 DBED C=C[C@H](COC)NC(=O)N1CCN(CC(=O)NC2CC2)CC1 1325635580 VOBAVQCSIUMHSG-GFCCVEGCSA-N 310.398 -0.207 30 20 DBED C#C[C@@H](NC(=O)C(=O)NCCOCC(F)(F)F)[C@@H]1CCCO1 1327417332 GITZKXYQRKRYBI-ZJUUUORDSA-N 322.283 -0.022 30 20 DBED CCC(=O)N1CC[C@H](NC(=O)C(=O)NCC2(CC#N)CC2)C1 1329382804 PUDFWSJXJBHKEY-NSHDSACASA-N 306.366 -0.076 30 20 DBED C=C(C)COCCNC(=O)C(=O)N1[C@H]2CC[C@H]1CC(=O)NC2 1336151646 VMFRDCVVZSWEDP-RYUDHWBXSA-N 309.366 -0.425 30 20 DBED C#CCNCC(=O)NC[C@@H](O)COc1ccc2c(c1)OCO2 1341386155 DTJCFWPYGFJRFK-LLVKDONJSA-N 306.318 -0.506 30 20 DBED CNS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@@H](N)CCCC#N 1345485475 XODHWOWXLXLGBP-QWRGUYRKSA-N 302.400 -0.452 30 20 DBED C#CCOCCn1nnnc1N1CCC(N(C)C(C)=O)CC1 1352538621 UHRQVMYJVVWKIK-UHFFFAOYSA-N 306.370 -0.230 30 20 DBED C#CCNCC(=O)N1CCN(C(=O)c2ccc(O)nc2)CC1 1353687444 JCNDOWQHAKZRQA-UHFFFAOYSA-N 302.334 -0.706 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)NC[C@H]2CNC(=O)C2)cc1 1363442023 MXBULCCMWSLOHL-LLVKDONJSA-N 300.318 -0.460 30 20 DBED N#CCC1(CS(=O)(=O)N[C@H](CO)CN2CCOCC2)CC1 1364922846 JNGZPBZJTXCBKP-LBPRGKRZSA-N 317.411 -0.707 30 20 DBED CCOC(=O)[C@H]1CCCN(c2[nH]c(=O)n(C)c(=O)c2C#N)C1 1365217631 FTTAIQFACAUGAH-VIFPVBQESA-N 306.322 -0.275 30 20 DBED CC(C)(CC#N)CS(=O)(=O)NCCN1CCNC(=O)C1 1365375859 BIDDKPPRLOCDOM-UHFFFAOYSA-N 302.400 -0.723 30 20 DBED C[C@H]1CC[C@@H](CNC(=O)NCCn2cc(C#N)c(O)nc2=O)O1 1365397000 HINOMVWOTWXNOC-ONGXEEELSA-N 321.337 -0.313 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@](C)(NC(=O)CNC(=O)C2CC2)C1 1379629481 OYMTVNLRMQBFQT-BONVTDFDSA-N 306.366 -0.221 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CCN(C(=O)C2(NC(N)=O)CC2)C1 1387230766 SQAVOVMDBHRHKL-ZJUUUORDSA-N 307.354 -0.688 30 20 DBED C[C@H](CN(C)C(=O)c1cc(C#N)c[nH]1)NC(=O)c1cnn[nH]1 1395553339 KSQCYHZSYSYHQR-MRVPVSSYSA-N 301.310 -0.105 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](C)CCNC(=O)CCCS(C)(=O)=O 1408480206 BJECKWBLZVNVDR-WDEREUQCSA-N 317.411 -0.018 30 20 DBED CCC[C@@H](NC(N)=O)C(=O)N(CC)CCNC(=O)[C@H](C)C#N 1408790344 GPJOKKBPWZDFKV-GHMZBOCLSA-N 311.386 -0.052 30 20 DBED COC(=O)NCC(=O)NCC1(NC(=O)c2ccc(C#N)[nH]2)CC1 1410689379 YSXZUFXVUGPOHA-UHFFFAOYSA-N 319.321 -0.379 30 20 DBED N#Cc1ccc(S(=O)(=O)N2CC[C@H]3OCC(=O)N[C@@H]3C2)o1 1414275626 OUAKMZLOBFCLTQ-NXEZZACHSA-N 311.319 -0.571 30 20 DBED Cn1cc(NC(=O)N2CCN(CCC#N)CC2)c(C(N)=O)n1 1414491218 CZMKYHFVLKWLGT-UHFFFAOYSA-N 305.342 -0.418 30 20 DBED CC(=O)N(C)CC(=O)NC[C@H]1CCN1C(=O)c1ccc(C#N)[nH]1 1416991909 GFIBFGRHKKOMNX-GFCCVEGCSA-N 317.349 -0.305 30 20 DBED C[C@H]1CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)C[C@H]1O 1417699724 MVRLPYJTEOHDRS-GXSJLCMTSA-N 306.322 -0.560 30 20 DBED CC(=O)NCC(=O)NCC1CN(C(=O)c2c[nH]c(C#N)c2)C1 1430315185 KFCIMRPMBJENMU-UHFFFAOYSA-N 303.322 -0.789 30 20 DBED C=C(Cl)CN1CC(O)(CNC(=O)[C@H]2CN(C)CCO2)C1 1440039679 AHJAQYKHRGSEDK-LLVKDONJSA-N 303.790 -0.768 30 20 DBED C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@H](C)NS(C)(=O)=O)C1 1441419095 LJERMUWEDGUCGE-OPRDCNLKSA-N 309.819 -0.087 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)CCn3cncn3)[C@H]2C1 1454468242 HIWZYSOFPKZPFD-DCQANWLSSA-N 302.338 -0.599 30 20 DBED C[C@@H](C#N)C(=O)NC1CN(C(=O)[C@@H]2CCn3cncc3C2)C1 1456401418 YTZTUTRIOSWDFD-WDEREUQCSA-N 301.350 -0.068 30 20 DBED CC(C)(C)OCC(=O)NC[C@@H](O)CNC(=O)c1cc(C#N)c[nH]1 1457968725 TXACKYDUNUBCIN-LLVKDONJSA-N 322.365 -0.092 30 20 DBED Cc1cc(=O)oc(C)c1C(=O)NC[C@H](O)CNC(=O)[C@@H](C)C#N 1458016772 DJQIKQCVJQJINC-GXSJLCMTSA-N 321.333 -0.377 30 20 DBED C[C@H](C#N)C(=O)NC1CN(C(=O)CC[C@]2(C)CCC(=O)N2)C1 1498384215 UAWMMRMIVMBXSA-BMIGLBTASA-N 306.366 -0.078 30 20 DBED CS[C@@H](C)C(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1 1523842759 LMVBIXUGMIJECW-IUCAKERBSA-N 304.393 -0.296 30 20 DBED C[C@@H]1CN2CCN1C[C@@H]2C(=O)NCc1ccc(C(=O)NO)cc1 1528349521 WVMVJMRKADCLSN-BXUZGUMPSA-N 318.377 -0.190 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1ccc(N(C)C)nc1 1533294391 XESVSUMXPYIAOU-PWSUYJOCSA-N 319.365 -0.486 30 20 DBED Cc1nnc(N2CCO[C@@H](C#N)C2)n1CCCS(C)(=O)=O 1543340372 USYGSGLANGYBAA-NSHDSACASA-N 313.383 -0.250 30 20 DBED C=C(Cl)CN1CC2(C1)CN(C(=O)CNC(=O)O)CCO2 1573339325 QIVYQXCQTMXHDE-UHFFFAOYSA-N 303.746 -0.080 30 20 DBED C[C@@H](CNC(=O)[C@@H](C)C#N)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 1573586063 YPPRFNMZWVTWFZ-YUMQZZPRSA-N 316.325 -0.411 30 20 DBED C[C@H](O)C(=O)N1CCN(C(=O)C2CC3(CNC[C@@H]3C#N)C2)CC1 1576267644 YJIFBYJPXCDLDY-AJAZOQAWSA-N 320.393 -0.823 30 20 DBED Cn1cnnc1[C@@H]1CCN(c2cnc(C#N)c(-c3nn[nH]n3)n2)C1 1581818819 LGXRXANOYFECMB-MRVPVSSYSA-N 323.324 -0.349 30 20 DBED C#C[C@H]1CCCN(C(=O)C(=O)NC[C@H]2CCO[C@H]2C(=O)O)C1 1588383051 XHHBACJMODUWEA-QJPTWQEYSA-N 308.334 -0.536 30 20 DBED CO[C@H](Cn1c(N)nc(C#N)c1-c1nn[nH]n1)[C@H]1CCOC1 1591334868 XAOACWITXNAQPS-IONNQARKSA-N 304.314 -0.431 30 20 DBED N#Cc1c(-c2nn[nH]n2)nc(N)n1CC(=O)NCc1ccccc1 1592682370 XWJSWNYBZZSIMB-UHFFFAOYSA-N 323.320 -0.167 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)NC[C@H](CC2CC2)C(=O)O)CCO1 1601063754 YNVIQVHAUNSXEM-WDEREUQCSA-N 317.367 -0.454 30 20 DBED C#CC[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)CC)C1)C(=O)O 1602685539 WXFUSKPZHQGMMV-GHMZBOCLSA-N 316.379 -0.359 30 20 DBED N#CCCNC(=O)C(=O)N1C[C@H](C(=O)O)Oc2ccccc21 1610621699 QZEOYPJNIUKBOF-LLVKDONJSA-N 303.274 -0.105 30 20 DBED N#Cc1ccc(S(=O)(=O)NCc2nc3ncccn3n2)cn1 1662561746 ZJCVZCHZIGLJEL-UHFFFAOYSA-N 315.318 -0.131 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)[C@H](C)Cc2cnc[nH]2)C1 1690106712 KHTZPAWBDISQKW-CHWSQXEVSA-N 317.393 -0.472 30 20 DBED C=CCOCCN[C@H]1CCN(C(=O)CN2CCC(=O)NC2=O)C1 1713933643 PNIPQRKVRUFTTF-LBPRGKRZSA-N 324.381 -0.679 30 20 DBED Cn1cnn(CCC(=O)N2CCC[C@@H](CCNCC#N)C2)c1=O 1753550927 BGHHXXRTGXEDHA-ZDUSSCGKSA-N 320.397 -0.286 30 20 DBED C=CCN1CC[C@@H](NC[C@H](C)NC(=O)c2cnnn2CC)C1=O 1754266155 JMJUNLDVQLPOIM-NWDGAFQWSA-N 320.397 -0.207 30 20 DBED C=CCNC[C@@H]1CCCC[C@H]1NC(=O)CN1CCNC(=O)C1 1754347261 WXLLHGOIRUXZPO-UONOGXRCSA-N 308.426 -0.131 30 20 DBED COCC#CCN1CC[C@H]1CNC(=O)c1cncc(OC)n1 1754495028 CZIWNTHCAHBBBH-LBPRGKRZSA-N 304.350 -0.061 30 20 DBED C#CCNC(=O)CNC[C@]1(C)CCN(C(=O)[C@H](C)NC(C)=O)C1 1754688398 UUAWBPBWKUICSN-LRDDRELGSA-N 322.409 -0.911 30 20 DBED Cn1cc(C(=O)NCC2(NCC#N)CCOCC2)ccc1=O 1754737239 FVKLENJELGHZNN-UHFFFAOYSA-N 304.350 -0.223 30 20 DBED C#CCN[C@@H](C)[C@H]1CCN(C(=O)c2cn(CCOC)nn2)C1 1754789669 BVTFPZINTLXBHJ-STQMWFEESA-N 305.382 -0.002 30 20 DBED CC#CCNC1(CNC(=O)CCCN2C(=O)CNC2=O)CCC1 1754991850 FKDDNKUECMETMS-UHFFFAOYSA-N 320.393 -0.030 30 20 DBED Cc1nnsc1C(=O)N[C@@H](C)[C@H](C)NCC(=O)NCC#N 1755227883 XDKKSDSTCZKURJ-YUMQZZPRSA-N 310.383 -0.417 30 20 DBED CC1(C)CN(CC(=O)NCC#N)C[C@H]1NC(=O)C#CC1CC1 1755405892 AJJXBVCZGPINGI-CYBMUJFWSA-N 302.378 -0.134 30 20 DBED N#CCN[C@@H](CO)CNC(=O)[C@@H]1COc2cc(F)ccc2C1 1755629701 SLOXUYLMUZCTOE-WCQYABFASA-N 307.325 -0.033 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)CN(C)C(=O)Cc1ccon1 1756439986 JYWLMQRXJYOJNH-LLVKDONJSA-N 320.349 -0.680 30 20 DBED C#CCCCCC(=O)N(C)C[C@@H](O)CNC(=O)c1cnn[nH]1 1756659687 RMYUNGDBMVHPAO-NSHDSACASA-N 307.354 -0.453 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@@H]1O 1757171498 UXQCJCHPAKLCJK-KFWWJZLASA-N 321.421 -0.325 30 20 DBED Cn1ncc(C(=O)O)c1/C=C/C(=O)c1cnc(O)n(C)c1=O 1777563963 PPDDEYUGUJTFPL-ONEGZZNKSA-N 304.262 -0.186 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CCCN(C)C1)CCO2 1783053364 ZAQPWBSVEHMQLW-WMLDXEAASA-N 319.405 -0.209 30 20 DBED C=CC[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)C(O)O)CCO2)C1 1783109551 SKAOBWUTKPBUAJ-NHYWBVRUSA-N 312.366 -0.661 30 20 DBED O=C1C[C@@H](C(=O)N2CC3(CCCN3C(=O)C#CC3CC3)C2)CN1 1841542235 XTNLPOGWGIHYFU-CYBMUJFWSA-N 315.373 -0.261 30 20 DBED N#CCCNC(=O)COC(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O 18209156 RCEUTTSRUWZTLZ-PHIMTYICSA-N 319.317 -0.489 30 20 DBED C#CCNC(=O)c1ccc(N2CC[C@H](S(=O)(=O)NC)C2)nc1 128712719 BKGZENNPRMNHCD-LBPRGKRZSA-N 322.390 -0.428 30 20 DBED C#CCN1CCC(C(=O)N(C)C[C@@H](O)CN2CCOCC2)CC1 176557500 FCMKMNJNTLHIRG-MRXNPFEDSA-N 323.437 -0.517 30 20 DBED N#C[C@H]1COCCN1C(=O)CN1C(=O)NC2(CCCC2)C1=O 267249643 YZUPJRDVTLAULZ-JTQLQIEISA-N 306.322 -0.398 30 20 DBED C=CCN(CC=C)C(=O)CN(C)C[C@@H](O)CN1CCOCC1 267625190 RFUBWCAFWONEKZ-OAHLLOKOSA-N 311.426 -0.188 30 20 DBED N#Cc1cccc(S(=O)(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)c1 268316724 DJMPBTMHULARAJ-PWSUYJOCSA-N 309.347 -0.131 30 20 DBED N#Cc1cc(NC(=O)C(=O)N2C[C@H](O)[C@H](O)C2)ccc1Cl 277556769 OULUHIJQPXKVQU-PHIMTYICSA-N 309.709 -0.286 30 20 DBED CCOC(=O)C(C)(C)C(=O)Cn1c(=O)c(C#N)cn(C)c1=O 280859444 ARJKZVGWACZYRL-UHFFFAOYSA-N 307.306 -0.423 30 20 DBED Cn1ncc(CCCNS(=O)(=O)c2cncc(C#N)c2)n1 292852281 QPWOFZJALKDIRN-UHFFFAOYSA-N 306.351 -0.007 30 20 DBED CC#CCN(C)C(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 294498649 JSKHAOLDZAEOLG-AWEZNQCLSA-N 307.394 -0.351 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CCO[C@@H](C)C2)C1=O 297989576 XFXQWGIVYKLDBT-RYUDHWBXSA-N 309.366 -0.521 30 20 DBED CN1CCO[C@@H]2CN(/C(O)=N/[C@@H]3CCCS(=O)(=O)C3)C[C@H]21 329838303 MIVDOIVEDUTLRI-IJLUTSLNSA-N 317.411 -0.508 30 20 DBED CN(C)S(=O)(=O)c1cc(/C(O)=N/C[C@]2(O)CCOC2)co1 330470705 BEHTZMPAERONKJ-GFCCVEGCSA-N 318.351 -0.014 30 20 DBED C[C@H](CN1CCOCC1)/N=C(/O)c1coc(S(N)(=O)=O)c1 330514549 LEOKEANYEYWTSV-SECBINFHSA-N 317.367 -0.048 30 20 DBED CN(CC(=O)N/C(O)=N/[C@@H]1CCS(=O)(=O)C1)CC(F)F 330600097 URCVSKLFSMYENT-SSDOTTSWSA-N 313.326 -0.599 30 20 DBED CCO[C@@H]1C[C@](O)(CNC(=O)Cn2cnc(C#N)n2)C1(C)C 331475107 KRFQBWJYOKZPQL-YGRLFVJLSA-N 307.354 -0.168 30 20 DBED CN([C@@H]1CCCC[C@@H]1O)S(=O)(=O)N1CCO[C@H](C#N)C1 337181868 MTPRLHTUBQSERM-UTUOFQBUSA-N 303.384 -0.309 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N1CC(=O)N(C2CC2)C1 337190048 RLMXSTGKUMAFGZ-SNVBAGLBSA-N 300.384 -0.023 30 20 DBED COC(=O)C[C@@]1(NS(=O)(=O)N(C)[C@H](C)CC#N)CCOC1 337753876 AOBXWNSJVZWQRJ-PWSUYJOCSA-N 319.383 -0.223 30 20 DBED N#Cc1ccsc1NC(=O)C(=O)NCCN1CCNC(=O)C1 340181950 LIDSFVGQDNOONB-UHFFFAOYSA-N 321.362 -0.894 30 20 DBED N#Cc1cc(N2CC[C@H](S(N)(=O)=O)C2)cc(N)c1[N+](=O)[O-] 342134397 QAYSEJQCXZBYKN-VIFPVBQESA-N 311.323 -0.084 30 20 DBED C[C@H]1CO[C@@H](CO)CN1C(=O)CNC(=O)c1ccc(C#N)cc1 344236991 ZOFPZQAVJZGSPA-SMDDNHRTSA-N 317.345 -0.104 30 20 DBED N#Cc1cccc(CNC(=O)CN2[C@H](CO)CC[C@H]2CO)c1 347315808 RRBQFQPERHPZSN-GJZGRUSLSA-N 303.362 -0.008 30 20 DBED Cc1cc(NC(=O)CCS(=O)(=O)N(C)C)nn1CCC#N 348881996 KBNKFOHZTROQJC-UHFFFAOYSA-N 313.383 0.325 30 20 DBED N#Cc1ccc(NC(=O)C(=O)NCCn2ncnn2)cc1F 354326153 VQMWMFXNLHVAAX-UHFFFAOYSA-N 303.257 -0.561 30 20 DBED CN(CCO)C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 355017386 NFUXRWQHQRQUNC-UHFFFAOYSA-N 311.363 -0.057 30 20 DBED N#C[C@@H]1CN(C(=O)CCNS(=O)(=O)c2cccnc2)CCO1 357955731 REHHKPZJAKMLRI-LLVKDONJSA-N 324.362 -0.499 30 20 DBED C=CCN(C)C(=O)C(=O)N[C@@H]1CCOC[C@@H]1OCCOC 360199737 NQBICNLOQGLNIG-NEPJUHHUSA-N 300.355 -0.433 30 20 DBED C=CCNC(=O)NC(=O)CN1CCC[C@H](c2nc(O)n[nH]2)C1 377485410 QBMIWRGCMLFWMC-VIFPVBQESA-N 308.342 -0.299 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCSC[C@@H]1C(N)=O 407953395 LMXOEAZDSMIHLV-VHSXEESVSA-N 320.440 -0.385 30 20 DBED C=CC1CCN(C(=O)C(=O)NCCCN2CCNCC2)CC1 419855351 QKPUBVDDGZSNHW-UHFFFAOYSA-N 308.426 -0.178 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2ccc(C)nn2)CC1 491693268 KKOUIWRBYNGTPK-UHFFFAOYSA-N 301.350 -0.708 30 20 DBED N#Cc1ccc(OCC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1 519183678 UMJCSGWXFJPORU-JSGCOSHPSA-N 314.345 -0.293 30 20 DBED N#Cc1ccc(S(=O)(=O)NCCC(=O)NC(N)=O)c(F)c1 532451369 RZTBTJQPCSWWGJ-UHFFFAOYSA-N 314.298 -0.439 30 20 DBED N#C[C@H]1CN(S(=O)(=O)N[C@@H](CO)CC2CCC2)CCO1 584845361 UJQPTYKMFZDVSH-NEPJUHHUSA-N 303.384 -0.404 30 20 DBED Cc1ccn(C[C@](C)(O)C(=O)Nc2n[nH]c(C)c2C#N)c(=O)c1 588717981 NSDLSVVHOAHYFG-HNNXBMFYSA-N 315.333 0.450 30 20 DBED Cc1nn(CC(=O)NC[C@H]2CCCN(CC#N)C2)c(=O)n1C 594421759 RYGUNYYADCRMPQ-GFCCVEGCSA-N 306.370 -0.758 30 20 DBED Cn1c(=O)c2ccn(CC(=O)N[C@@H](C#N)C3CC3)c2n(C)c1=O 610396984 NHJKIEAHXGKOHZ-NSHDSACASA-N 315.333 -0.543 30 20 DBED C=C[C@H](O)C(=O)N(CCCN(C)C)[C@@H]1CCS(=O)(=O)C1 612055938 FCUBLSNEIJKRAC-NEPJUHHUSA-N 304.412 -0.499 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N1CCC(CO)(OC)CC1 656080938 LOXPPYNVEPMKNU-UHFFFAOYSA-N 314.382 -0.353 30 20 DBED C=C[C@H](CO)N[C@H](C)C(=O)N(CC)[C@H]1CCS(=O)(=O)C1 662168071 XLCNMRWCYHDGIY-UTUOFQBUSA-N 304.412 -0.453 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)COCC)C1=O 777051792 DDWYTVDENKDVHH-UHFFFAOYSA-N 312.278 -0.888 30 20 DBED N#Cc1cccnc1NCCNC(=O)C(=O)N1CC[C@@H](CO)C1 787788384 WWVPOFTVHCMEJW-LLVKDONJSA-N 317.349 -0.678 30 20 DBED Cc1cc(NC(=O)NC[C@@H]2CC(C(N)=O)=NO2)nn1CCC#N 794253817 BOFQTALLNKFXQL-VIFPVBQESA-N 319.325 -0.143 30 20 DBED C[C@H](C#N)OCCOC(=O)CNS(=O)(=O)c1cn(C)cn1 801847568 ZUDPPRRHLVGYGD-SECBINFHSA-N 316.339 -0.830 30 20 DBED C#C[C@H](NC(=O)C(=O)NC[C@@H](C)N(C)C1CC1)[C@@H]1CCCO1 804429163 FUZJRGXXIUWWRA-XBFCOCLRSA-N 307.394 -0.118 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)OC[C@@H]2CCCO2)CC1 804986785 QICKMMRYBKSQFD-ZDUSSCGKSA-N 309.366 -0.331 30 20 DBED C#CC1CCN([C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1 830333586 CPMAZOTYNLUFMW-JTQLQIEISA-N 318.377 -0.417 30 20 DBED N#C[C@H]1CNC[C@@H]1NC(=O)Cn1cnc2sccc2c1=O 843463696 XOTXTQLBVCJCRC-WPRPVWTQSA-N 303.347 -0.314 30 20 DBED CC1=C(C(=O)N2CCN(CC#N)CC2)[C@@H](C)n2nnnc2N1C 847512320 RQDDGHCMPPHTTN-LLVKDONJSA-N 316.369 -0.374 30 20 DBED C/N=C(/NCCN1CCOCC1)NCC1(S(C)(=O)=O)CC1 849024770 WZOHBJRBYNCHRR-UHFFFAOYSA-N 318.443 -0.939 30 20 DBED C=CCCONC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 856031618 XKICGZZITNVGGP-CYBMUJFWSA-N 311.382 -0.209 30 20 DBED CN1C(=O)[C@@H]2CN(S(=O)(=O)CC(C)(C)CC#N)C[C@@H]2C1=O 867765382 OUCQWQVRALLVLX-AOOOYVTPSA-N 313.379 -0.197 30 20 DBED COc1ccnc(C=NN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C=C[C@H]3O2)n1 872427024 ABAXKZYAEJEGDU-GAJNKVMBSA-N 300.274 -0.243 30 20 DBED C[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N1CCN(CCC#N)CC1 890492131 CNYLEELTRRLPMY-NEPJUHHUSA-N 314.411 -0.340 30 20 DBED CN(C(=O)Cn1cnnc1O)[C@@H]1CCN(C(=O)C#CC2CC2)C1 937347716 QUHGFIFWXOQGOX-GFCCVEGCSA-N 317.349 -0.544 30 20 DBED Cn1cc(C(=O)N[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)nn1 940258702 XEYXBCXIRUTDBN-SNVBAGLBSA-N 313.321 -0.341 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)c2cccnn2)C1 944744625 VWSXQPZWDOZOHK-QWRGUYRKSA-N 303.322 -0.407 30 20 DBED CC#CCN1CC[C@H](NC(=O)Cn2ncn(C)c2=O)C[C@H]1C 947463691 LHMXJAZZIAECQF-OLZOCXBDSA-N 305.382 -0.426 30 20 DBED CC[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)CC[C@H]1NC(=O)C(N)=O 948360243 WSOXDUKCGQZZHU-GHMZBOCLSA-N 317.349 -0.271 30 20 DBED C=CCn1cccc1C(=O)NC[C@@H]1CCN1C(=O)CC(N)=O 950588067 VJPWTMJPYVOING-NSHDSACASA-N 304.350 -0.120 30 20 DBED COc1c(C(=O)NC[C@H]2CCN2C(=O)[C@H](C)C#N)cnn1C 951418544 YHIAYHSKEZBNEY-NXEZZACHSA-N 305.338 -0.081 30 20 DBED C=CCN1CC[C@H](N2CCN(C(=O)Cn3ccnc3)CC2)C1=O 957900565 WRALPTVKHMCDDS-AWEZNQCLSA-N 317.393 -0.186 30 20 DBED CC#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cc(C(N)=O)cn2C)C1 958219962 QOCIVKKXOLHBOC-GXTWGEPZSA-N 318.377 -0.830 30 20 DBED C#CCCN1C[C@H](O)[C@H](CNC(=O)c2ccnc(OC)n2)C1 958248916 QIGOFKWYVAQMRW-YPMHNXCESA-N 304.350 -0.469 30 20 DBED C=CCN1C[C@@H](O)[C@@H](CNC(=O)c2ccc(=O)n(CC)n2)C1 958495168 VRILJYHVZWEAHK-WCQYABFASA-N 306.366 -0.528 30 20 DBED C#CCCN1C[C@H](O)[C@H](CNC(=O)c2ccc(N(C)C)nn2)C1 958600212 YFDZYPWZDFKHOK-OCCSQVGLSA-N 317.393 -0.412 30 20 DBED Cc1ncc(C(=O)N(C)[C@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)n1C 958935041 IKHYWHRFQQBPKK-ICCXJUOJSA-N 319.365 -0.468 30 20 DBED Cc1nccn1CC(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1O 963557081 QOOFCPNJLPXYBZ-WCQGTBRESA-N 305.338 -0.961 30 20 DBED Cc1ccnc(C(=O)NC[C@H]2COCCN2C(=O)[C@@H](C)C#N)n1 964166795 KFXOBBFXKQRILZ-JQWIXIFHSA-N 317.349 -0.098 30 20 DBED C#CCNC1CC2(C1)CC(NC(=O)Cn1c(O)nnc1O)C2 965886493 PMDKWEAVABXSNQ-UHFFFAOYSA-N 305.338 -0.661 30 20 DBED C#Cc1ccccc1CC(=O)N[C@H]1CN(C(=O)C(N)=O)C[C@@H]1C 966748387 BXGHRMVFHPTCBU-FZMZJTMJSA-N 313.357 -0.341 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)C23CCCN2CCC3)C1 969022371 GENTUEJJAVUFNC-UPJWGTAASA-N 320.393 -0.538 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)c3cnon3)C2)[nH]1 974046097 WLGHZMALAGBMJI-DTORHVGOSA-N 300.278 -0.040 30 20 DBED N#Cc1cc(C(=O)NC[C@H]2C[C@H](NC(=O)c3cnn[nH]3)C2)c[nH]1 979672160 QMLYRDCNQMOLGB-CZMCAQCFSA-N 313.321 -0.057 30 20 DBED Cn1cnc(C(=O)N2CC3(CCCN(CC#N)C3)C2)cc1=O 981820779 JMDHSIGBDWTTJY-UHFFFAOYSA-N 301.350 -0.158 30 20 DBED C[C@@H]1[C@@H](NCC#N)CCN1C(=O)Cc1ccc(C(N)=O)nc1 986416706 XCGXVYIDUYKHES-PWSUYJOCSA-N 301.350 -0.174 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](CN(C)C(=O)c2nnn(C)n2)C1 988290553 CDXHTJSPHODJJG-UWVGGRQHSA-N 305.342 -0.710 30 20 DBED C#CCN[C@H]1C[C@H](C)N(C(=O)Cc2c(C)nc(O)nc2O)C1 989595305 BBLXOJHTBOAFEX-ONGXEEELSA-N 304.350 -0.049 30 20 DBED O=C(Cn1cccn1)N[C@@H]1CCN(C(=O)C#CC2CC2)C[C@H]1O 991284450 MJQDNMAMIMOKAJ-ZIAGYGMSSA-N 316.361 -0.626 30 20 DBED C=CCn1cc(C(=O)NC2CN(C(=O)c3cocn3)C2)nn1 991673060 IVABGVKPBQLQHM-UHFFFAOYSA-N 302.294 -0.294 30 20 DBED C=CCn1cc(C(=O)NC2CN(C(=O)[C@@H]3C[C@@H](C)CO3)C2)nn1 991673884 QJDSMLNNYDORHQ-MFKMUULPSA-N 319.365 -0.170 30 20 DBED Cc1ccc(=O)n(CC(=O)NC2CN(C(=O)[C@@H](C)C#N)C2)n1 997202768 KEPXLSUXMOTTIE-VIFPVBQESA-N 303.322 -0.962 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1[C@@H]2CN(C(=O)[C@@H](C)OC)C[C@@H]12 1013316169 HPYQLTGRHRHSTE-SYQHCUMBSA-N 319.405 -0.308 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@@H]2CC[C@@H](NC(=O)C(N)=O)C2)c1 1015556256 XSKQCWDRXBGIDU-PSASIEDQSA-N 303.322 -0.614 30 20 DBED C#CCN1CCC2(CC1)C[C@@H]2NC(=O)[C@H]1COCCN1C(C)=O 1016985212 IVNNGBOSZLJCTP-CABCVRRESA-N 319.405 -0.162 30 20 DBED C#CCN[C@H]1C[C@@H](NC(=O)c2ccc(=O)n(CCOC)c2)C1 1022359617 QWRBPXWLKMUTBT-OKILXGFUSA-N 303.362 -0.022 30 20 DBED C=CCCN1CCC[C@@H]1CNC(=O)[C@H]1CCS(=O)(=O)N1 1028324845 DBRXPBVZPCJOTM-VXGBXAGGSA-N 301.412 -0.165 30 20 DBED C#CCCN1CCCC[C@H](NC(=O)c2nnc(O)nc2O)C1 1034290761 IJOYNCZIRRMVSP-JTQLQIEISA-N 305.338 -0.110 30 20 DBED C#CCCN1CC[C@@H]2CN(C(=O)CN3CC(=O)NC3=O)CC[C@@H]21 1036843172 BCNHQHSVCWOFGS-OLZOCXBDSA-N 318.377 -0.516 30 20 DBED CC#CCN1CC[C@H]2CN(C(=O)CN3CC(=O)NC3=O)CC[C@H]21 1036843293 DBABNPZMCPJYBH-QWHCGFSZSA-N 318.377 -0.516 30 20 DBED C#CCCCC(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2CCN(C)C2)C1 1039575857 HFZQYZACBYSMEE-RHSMWYFYSA-N 321.421 -0.179 30 20 DBED C=CCCOCC(=O)NC[C@]1(O)CCN(C(=O)c2cc[nH]n2)C1 1040155793 GBZYBTKDSZNQEI-OAHLLOKOSA-N 322.365 -0.304 30 20 DBED C=CCCC(=O)N1CC[C@](O)(CNC(=O)[C@H](COC)OC)C1 1040843535 QYRAZIYRXMWDSX-WFASDCNBSA-N 314.382 -0.306 30 20 DBED C=C1CCC(C(=O)N2CC(O)(CNC(=O)CNC(C)=O)C2)CC1 1041208871 ILSRDRKKIFWFRI-UHFFFAOYSA-N 323.393 -0.442 30 20 DBED C#CCNC(=O)CC(=O)NCC1(O)CN(C(=O)C2(CC)CC2)C1 1042674463 JUCCXDJVLOBBTE-UHFFFAOYSA-N 321.377 -0.994 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)[C@H]2CC(=O)N(CC)C2)C1 1043404467 HYHCOXMETCEBSE-LBPRGKRZSA-N 323.393 -0.490 30 20 DBED C=CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2ccc[nH]2)C1 1043569528 XSJXFVYSDNNTFR-NSHDSACASA-N 307.350 -0.091 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)c2nccs2)C1 1045244165 XRHHJKOVNVPPSB-UHFFFAOYSA-N 311.363 -0.351 30 20 DBED Cn1nc(C(=O)N2CC[C@H]3CC[C@@H](C2)N3CC#N)ccc1=O 1045886822 HAIADOBJYSEJEI-NEPJUHHUSA-N 301.350 -0.017 30 20 DBED C=C1CC(C)(C(=O)NCC2(O)CN(C(=O)C3=COCCO3)C2)C1 1046301538 IBQTUKMQCCZKHD-UHFFFAOYSA-N 322.361 -0.080 30 20 DBED CN(C(=O)C(N)=O)[C@H]1CN(CC#Cc2ccc(F)cc2)C[C@@H]1O 1047506695 CFQZZHMTTDFGCA-KBPBESRZSA-N 319.336 -0.834 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cocn2)C1 1048543832 ODSIFIZWLDVOCW-RYUDHWBXSA-N 309.322 -0.479 30 20 DBED CC(C)CN1C[C@H](C(=O)NC[C@@H]2COCCN2CC#N)CC1=O 1050943958 AAKMJDGLXXTJDR-ZIAGYGMSSA-N 322.409 -0.169 30 20 DBED Cc1cc(C(=O)NC[C@@H]2COCCN2CC#N)ncc1C(N)=O 1051121936 YHBXBRDUNAQSTC-LLVKDONJSA-N 317.349 -0.557 30 20 DBED C[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1CNC(=O)C(N)=O 1052312738 DUVVTHDCCPDJRC-WCBMZHEXSA-N 303.322 -0.804 30 20 DBED C[C@H](C(N)=O)N1CC2(CN(C(=O)c3c[nH]c(C#N)c3)CCO2)C1 1053227128 OUBDUYGMMSORPU-SNVBAGLBSA-N 317.349 -0.713 30 20 DBED C=C(Cl)CN1CC2(C[C@@H](NC(=O)[C@@H]3CNC(=O)N3)CO2)C1 1053909066 BFTHHFOKUPPKIQ-ZJUUUORDSA-N 314.773 -0.620 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)[C@H]3CCCCN3C(N)=O)CO2)C1 1053980482 OYIFJFSNCFPZJI-VXGBXAGGSA-N 321.381 -0.597 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)c3cccc(C(N)=O)n3)CO2)C1 1054020717 SNTVRCTZQXWSCJ-JTQLQIEISA-N 315.333 -0.723 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@](CO)(NC(=O)c2cncnc2)C1 1055899475 WQKVUWYFQIAXBM-ABAIWWIYSA-N 317.349 -0.280 30 20 DBED CN1C[C@@H](C(=O)N2CCN(c3cnc(C#N)cn3)CC2)CC1=O 1056057231 RVIDWCDHUBKPHZ-NSHDSACASA-N 314.349 -0.525 30 20 DBED CC(=O)NCC(=O)N1CCC[C@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]21 1056585978 CLGDVZOSWJRUJM-WCFLWFBJSA-N 306.366 -0.268 30 20 DBED N#Cc1c[nH]c(C(=O)N(CCO)CCNC(=O)[C@H]2CCCO2)c1 1057291898 UMAXNEMXDQXPEJ-CYBMUJFWSA-N 320.349 -0.384 30 20 DBED C#CCNC(=O)CC(=O)NCCN(CCO)C(=O)/C(C)=C/C 1057302737 RIHOJEYKNWWFPZ-LFYBBSHMSA-N 309.366 -0.971 30 20 DBED C#CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)CC(F)(F)F 1057583731 YLIKQQYCLNXDFC-JTQLQIEISA-N 324.299 -0.086 30 20 DBED N#Cc1cncc(N2CC[C@H](NC(=O)C[C@H]3CCC(=O)N3)C2)n1 1058396165 GKTJNRVLAOVQGD-MNOVXSKESA-N 314.349 -0.288 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)[C@@H]1CCC(=O)N1C 1058418990 XOLYAYLJXHDTTG-LBPRGKRZSA-N 311.382 -0.490 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)[C@@]1(F)CCOC1 1058495479 RKJWUGFCDLWIMF-CQSZACIVSA-N 318.345 -0.745 30 20 DBED C=C[C@](C)(O)CC(=O)NCCN(CCO)C(=O)c1cccnn1 1058529863 YMJTXUHKFHONGT-HNNXBMFYSA-N 322.365 -0.646 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)Cc1cccnc1 1058653416 VDCGGNPDOIZETO-GFCCVEGCSA-N 304.350 -0.279 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)CCOCC1CC1 1058659486 ZYELRTLFGPWUCX-GFCCVEGCSA-N 311.382 -0.100 30 20 DBED CN1CC[C@H](C(=O)N[C@H]2C[C@H](Nc3cnc(C#N)cn3)C2)C1=O 1059377294 UBJWBXLKSLJSBE-CKYFFXLPSA-N 314.349 -0.114 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](CCNC(=O)Cn2cnnc2O)C1 1060288491 AFOAQAXMPVDNDF-QWRGUYRKSA-N 320.353 -0.502 30 20 DBED C=CCOCC(=O)NC[C@@H]1COCCN1C(=O)[C@@H](CC)OC 1061421131 JGCUFGWGVSRPKK-CHWSQXEVSA-N 314.382 -0.042 30 20 DBED C#Cc1ccc(C(=O)N2CCCC[C@@H]2CNC(=O)C(N)=O)cn1 1062289804 IKOAOLPACGHJEO-CYBMUJFWSA-N 314.345 -0.341 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(NC(=O)[C@H]2CCNC2=O)CCC1 1063046217 JSYVAYOIAKDTBC-RYUDHWBXSA-N 321.377 -0.684 30 20 DBED C[C@@H](N=c1cc[nH]cc1C#N)[C@@H]1CCCN(C(=O)C(N)=O)C1 1063903846 CQMBHRJQDVVRRS-GHMZBOCLSA-N 301.350 -0.101 30 20 DBED N#Cc1nccnc1N1CC[C@]2(CCN(C(=O)CC(N)=O)C2)C1 1064608810 BRDQOVUCWGRENU-HNNXBMFYSA-N 314.349 -0.348 30 20 DBED COCC(=O)NC[C@@H]1CN(C(=O)CSCC#N)CCO1 1064881192 PFUYWPYELZEBPY-SNVBAGLBSA-N 301.368 -0.767 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CN(C(=O)CSCC#N)CCO1 1064881729 YHNRNNUMJSJYDT-MNOVXSKESA-N 310.379 -0.254 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CN(C(=O)CSCC#N)CCO1 1064881730 YHNRNNUMJSJYDT-QWRGUYRKSA-N 310.379 -0.254 30 20 DBED C#CCOCCC(=O)NC[C@H]1CN(C(=O)COCC=C)CCO1 1064972417 WWAPYQHKUKVEJT-AWEZNQCLSA-N 324.377 -0.428 30 20 DBED N#Cc1ccc(NC[C@@H]2CCCN2C(=O)[C@H]2CNC(=O)N2)nn1 1064997723 IPAHRUCRNUCHIY-WDEREUQCSA-N 315.337 -0.567 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CN(C(=O)CCc2ncc[nH]2)CCO1 1065101692 VAANFYWWPBMZCF-NEPJUHHUSA-N 319.365 -0.154 30 20 DBED CC(C)C#CC(=O)N1CCO[C@@H](CNC(=O)[C@@H]2CCC(=O)N2)C1 1065128779 JFVZVEBIFXOMRF-STQMWFEESA-N 321.377 -0.732 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CN(C(=O)C2(N(C)C)CCC2)CCO1 1065259697 CXIQLTZFGRBMNB-STQMWFEESA-N 322.409 -0.026 30 20 DBED N#Cc1ccc(N2C[C@H]3CN(C(=O)Cn4cnnn4)C[C@H]3C2)nc1 1065958983 WMBLLVKALISFKB-BETUJISGSA-N 324.348 -0.465 30 20 DBED C#CCCCC(=O)N[C@H]1CCCN(C(=O)CNC(N)=O)CC1 1066096905 HUFKYFDVMXKGAM-LBPRGKRZSA-N 308.382 -0.045 30 20 DBED C#CCN1CCn2ncc(CNC(=O)[C@@H]3CCCNC3=O)c2C1 1069863625 BMDKAFWTHUQTDS-CYBMUJFWSA-N 315.377 -0.526 30 20 DBED Cc1nc[nH]c1C(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1 1070110389 OITFYDCDJUTCPR-MNOVXSKESA-N 300.326 -0.512 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)[C@H]2CCN(C)C2)CCOCC1 1070232420 JHDFPODETHEODU-OLZOCXBDSA-N 322.409 -0.121 30 20 DBED N#Cc1c[nH]c(C(=O)N2C[C@@H]3C[C@@H]4CN(CCO)C[C@]3(C2)O4)c1 1070781298 CYDZBYBVNAJOIK-WOSRLPQWSA-N 316.361 -0.206 30 20 DBED C=CCOCC(=O)N[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(C)C2)C1 1070851131 HAFFMFLWPYAWQR-QWHCGFSZSA-N 323.393 -0.226 30 20 DBED C=CCCOCC(=O)N1CCC[C@@H](NC(=O)[C@H]2CCC(=O)N2)C1 1070901178 NCTHBINWBHTUEU-CHWSQXEVSA-N 323.393 -0.035 30 20 DBED C=CCOCC(=O)N1C[C@@H](C)[C@@H](NC(=O)CNC(=O)NC)C1 1071804492 CHUYHSQDUGPLIQ-MNOVXSKESA-N 312.370 -0.919 30 20 DBED C[C@H]1CC[C@@H](NC(=O)c2nccnc2C(N)=O)CN1CC#N 1072057741 AIEIWHJVEKYROT-VHSXEESVSA-N 302.338 -0.318 30 20 DBED CC1(C)CN(C(=O)C(N)=O)CC[C@@H]1NC(=O)CSCC#N 1073318144 IKJLQULZXLCEAU-VIFPVBQESA-N 312.395 -0.528 30 20 DBED C#CCOCCC(=O)N[C@@H](C)CCNC(=O)Cn1cccn1 1075610291 ARFNTLPPSNIJOU-ZDUSSCGKSA-N 306.366 -0.066 30 20 DBED C=CCOCC(=O)N[C@@H](C)CCNC(=O)[C@@H]1CC(=O)N(C)C1 1076890646 FUWFWVGVWDRLMA-NWDGAFQWSA-N 311.382 -0.322 30 20 DBED C[C@@H](CCNC(=O)[C@@H]1CCNC1=O)NC(=O)c1cc(C#N)c[nH]1 1077733335 IZPWILGMTNNKHB-ONGXEEELSA-N 317.349 -0.353 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CCCN(C(=O)CNC(N)=O)CC1 1079059218 NCMLGBKAYVZDGE-QWRGUYRKSA-N 309.370 -0.346 30 20 DBED CCN(C(=O)CCn1ccnn1)C1CN(C(=O)[C@@H](C)C#N)C1 1079669705 VPJAWRJGNPMDNX-NSHDSACASA-N 304.354 -0.113 30 20 DBED C=CCOCC(=O)N1CCC(CO)(NC(=O)COC)CC1 1080673840 IDGDBCHLZQOZQX-UHFFFAOYSA-N 300.355 -0.695 30 20 DBED N#CCSCC(=O)NC[C@@H]1CN(C(=O)CC2CC2)C[C@@H]1O 1081286803 PPJDPPLUGVWALM-NEPJUHHUSA-N 311.407 -0.021 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)Cn2ccnc2)C[C@H]1O 1081333703 WWCHDWGPGARJOX-QWHCGFSZSA-N 306.366 -0.215 30 20 DBED C#CCCCCC(=O)NC[C@H]1CN(C(=O)CC(=O)NC)C[C@H]1O 1081417765 YEQQSQUJTYARJA-QWHCGFSZSA-N 323.393 -0.748 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1ccc(=O)n(C)c1 1083129745 BQXNVQUHZXWUIZ-UONOGXRCSA-N 301.346 -0.456 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)c2ccc3nnn(C)c3c2)C1 1083999255 IBKZZGFKNMWWRK-HIFRSBDPSA-N 313.361 -0.234 30 20 DBED C=CCN[C@@H]1CN(C(=O)[C@H]2CCNC2=O)C[C@H]1c1cnn(C)c1 1086991278 UEHHCLRGFJWXCW-MELADBBJSA-N 317.393 -0.374 30 20 DBED C#CCN[C@@H]1CCCCCN(C(=O)CN2CCC(=O)NC2=O)C1 1088410245 CJMOFDMZPPHMGE-CYBMUJFWSA-N 320.393 -0.078 30 20 DBED C[C@@H]1[C@@H](NC(=O)C2CC3(C2)NC(=O)NC3=O)CCN1CC#N 1088915196 OAUHFQAAGWNMIE-LISWRGBSSA-N 305.338 -0.923 30 20 DBED CC1(C)C[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)CCN(CC#N)C1 1089506007 JBSAIUUPGAFGED-QWRGUYRKSA-N 321.381 -0.285 30 20 DBED CN(C)C(=O)CN1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H](O)C1 1090194310 HXZRFTUDTIVRMP-STQMWFEESA-N 319.365 -0.860 30 20 DBED C#CCN1CC[C@H](NC(=O)c2ccn(CCOC)n2)[C@@H](O)C1 1090419592 BAKATRHYGGCMLD-JSGCOSHPSA-N 306.366 -0.672 30 20 DBED N#Cc1cc(CN2CC[C@H](NC(=O)C(N)=O)[C@@H](O)C2)ccc1F 1090530886 FZCNAUNCTRWLCK-STQMWFEESA-N 320.324 -0.766 30 20 DBED Cc1nc2ccnn2cc1C(=O)N[C@@H]1CCN(CC#N)C[C@@H]1O 1090690890 VJJLZXYZEBOMQL-OLZOCXBDSA-N 314.349 -0.274 30 20 DBED Cc1[nH]nc2ncc(C(=O)N[C@@H]3CCN(CC#N)C[C@@H]3O)cc12 1090818396 VFFHJLVIGLNVPB-OLZOCXBDSA-N 314.349 -0.045 30 20 DBED Cc1[nH]nc2ncc(C(=O)N[C@H]3CCN(CC#N)C[C@H]3O)cc12 1090818398 VFFHJLVIGLNVPB-QWHCGFSZSA-N 314.349 -0.045 30 20 DBED C#CCO[C@H](C)C(=O)NC1[C@@H]2CN(c3ccc(C#N)nn3)C[C@@H]12 1093309632 AABPQFRKDHUFFW-RAIGVLPGSA-N 311.345 -0.063 30 20 DBED CC#CCN1CC(OC2CCN(C(=O)[C@H]3COC(=O)N3)CC2)C1 1093530823 JKCFGWUROYVXDM-CQSZACIVSA-N 321.377 -0.190 30 20 DBED CN1C(=O)CC[C@H]1CC(=O)NCCNc1nccnc1C#N 1094055337 BLDIJFGJRNWCEV-JTQLQIEISA-N 302.338 -0.113 30 20 DBED C#CCN1CC(n2cc(CNC(=O)[C@H]3CN(C)C[C@H]3C)nn2)C1 1094316559 KTGNJGXBJPDJGD-DOMZBBRYSA-N 316.409 -0.418 30 20 DBED Cn1nc(C(=O)NCCCNc2cncc(C#N)n2)ccc1=O 1094423054 XJGBFHWTVSSWLV-UHFFFAOYSA-N 313.321 -0.326 30 20 DBED CNC(=O)CC(=O)N1CC[C@@H](N(C)c2ccc(C#N)nn2)C1 1095112056 CGBKWFYVYHXSGV-LLVKDONJSA-N 302.338 -0.479 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CCCS1(=O)=O)Nc1cncc(C#N)n1 1097883451 MDTQVLREMROZHN-ONGXEEELSA-N 323.378 -0.158 30 20 DBED Cc1nn(C)cc1CC(=O)NC[C@H](C)N=c1cc[nH]c(C#N)n1 1098352673 RURPYIGSOIHUMY-JTQLQIEISA-N 313.365 -0.029 30 20 DBED C[C@@]1(C(=O)N2CCC(N(CC#N)CCO)CC2)CCNC1=O 1098478070 UIEZHPBCMJXQFT-OAHLLOKOSA-N 308.382 -0.679 30 20 DBED CNC(=O)CNCc1cn([C@H]2CCN(C(=O)[C@H](C)C#N)C2)nn1 1098632959 GYFMUMFJONCOAL-PWSUYJOCSA-N 319.369 -0.953 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)c2cnsn2)[C@@H](O)C1 1099690504 PKUQSHSYFFYOHO-JQWIXIFHSA-N 312.395 -0.094 30 20 DBED CCn1ncc(C(=O)N[C@@H]2CCN(CC#CCOC)C[C@H]2O)n1 1099802039 OHWKHEVMSDIDMP-TZMCWYRMSA-N 321.381 -0.887 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)CN(C)S(C)(=O)=O)[C@@H](O)C1 1099861392 RNJPLPZNPTZWNL-NEPJUHHUSA-N 319.427 -0.995 30 20 DBED CN(CCNC(=O)[C@@H]1CCCCC(=O)N1)c1nccnc1C#N 1100319894 GJURDGJUQTWXKC-NSHDSACASA-N 316.365 -0.041 30 20 DBED C=CCNC1CC(CNC(=O)[C@@H](CCC(N)=O)NC(C)=O)C1 1100762960 AFBGQCGJXXWQPN-WXRRBKDZSA-N 310.398 -0.573 30 20 DBED C[C@H](NC(N)=O)C(=O)NC[C@@H]1CCN(c2ccnc(C#N)n2)C1 1100969020 OJBCATVFMQSSOD-UWVGGRQHSA-N 317.353 -0.652 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)c1c[nH]c(C(N)=O)c1 1101621498 WGUHRKMHWYFQOB-UHFFFAOYSA-N 313.321 -0.619 30 20 DBED CN(CCNc1cncc(C#N)n1)C(=O)[C@H]1CCS(=O)(=O)C1 1101849024 RRBOLOVWHRMXOR-JTQLQIEISA-N 323.378 -0.347 30 20 DBED CC#CCN1C[C@@H](C)[C@H](CNC(=O)CN2CCOCC2=O)C1 1102052964 MANZKJQETNFBOX-ZIAGYGMSSA-N 307.394 -0.447 30 20 DBED CN(C)C(=O)CC(=O)N(C)[C@H]1CCN(c2ccnc(C#N)n2)C1 1102764817 IKBLFQIYDCWGKE-NSHDSACASA-N 316.365 -0.136 30 20 DBED N#Cc1ccc(N2CCC[C@H](CCNC(=O)C(N)=O)C2)nn1 1102942575 ZCMGXQXNLVTJPB-SNVBAGLBSA-N 302.338 -0.444 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)[C@@H]1CCCNC1=O 1104715192 ZTUIAQIKADVYNH-WDEREUQCSA-N 316.365 -0.445 30 20 DBED C=CCNCc1cn(C2CN(C(=O)CN3CCCC3=O)C2)nn1 1105153307 QWJRPUNNCZMFFH-UHFFFAOYSA-N 318.381 -0.441 30 20 DBED COC[C@H](C)CC(=O)N1CC(n2cc(CNCC#N)nn2)C1 1105354628 QUOXOPHACZKULA-LLVKDONJSA-N 306.370 -0.053 30 20 DBED COC[C@@H](OC)C(=O)N(C)CCN(C)c1nccnc1C#N 1105562760 RNEZBXGYDPRWPM-GFCCVEGCSA-N 307.354 -0.096 30 20 DBED CC(=O)NCC(=O)NC[C@H](O)CNc1nc(C)ccc1C#N 1105712134 TZZSFLXJZFMPNO-LBPRGKRZSA-N 305.338 -0.713 30 20 DBED C#Cc1ccc(C(=O)NC[C@H](O)CNc2nccnc2C#N)cn1 1105909115 DPGNHKDPXTXSHK-CYBMUJFWSA-N 322.328 -0.073 30 20 DBED CCn1cnc(C(=O)NC[C@@H](O)CN=c2cc[nH]c(C#N)n2)c1 1105916489 NXJMLCASPKWLJV-JTQLQIEISA-N 315.337 -0.811 30 20 DBED N#Cc1c(F)cccc1NC[C@@H](O)CNC(=O)[C@@H]1CCC(=O)N1 1105921237 BBYLREKVQOBPBW-RNCFNFMXSA-N 320.324 -0.135 30 20 DBED N#Cc1nc(=NC[C@@H](O)CNC(=O)c2ccns2)cc[nH]1 1105988116 AIGZHTAMDFTJEQ-MRVPVSSYSA-N 304.335 -0.571 30 20 DBED COC1CC(C(=O)NC[C@H](O)CN=c2cc[nH]cc2C#N)C1 1105997271 NKRAKNGWNCCWFY-YXMLORGKSA-N 304.350 -0.311 30 20 DBED CO[C@@H](C(=O)NC[C@H](O)CNc1cnc(C#N)cn1)C(C)C 1106092801 NOYUPFVQRMYIHM-DGCLKSJQSA-N 307.354 -0.092 30 20 DBED Cc1nc[nH]c1C(=O)N1C[C@@H](C)[C@H](CNCC(=O)NCC#N)C1 1107095693 WHRHHPZCTODFBZ-ZYHUDNBSSA-N 318.381 -0.344 30 20 DBED CC#CCN1CC(n2cc(CNC(=O)C(C)(C)C(N)=O)nn2)C1 1107180449 SDTZCBAYSLXTAZ-UHFFFAOYSA-N 318.381 -0.714 30 20 DBED Cc1cc(C#N)nc(NC/C=C/CNC(=O)[C@H]2C[C@H]2C(N)=O)n1 1107517395 QPXVFHGQWNSLTR-FQVTYBBZSA-N 314.349 -0.138 30 20 DBED C=CCCC(=O)NC[C@@]1(C)CN([C@H]2CCC(=O)NC2=O)CCO1 1107801965 FSPCDXVHLSJIBF-LRDDRELGSA-N 323.393 -0.035 30 20 DBED Cn1nncc1CN1CCO[C@@](C)(CNC(=O)C#CC2CC2)C1 1107931749 AHIGFYBRKCZXAO-INIZCTEOSA-N 317.393 -0.064 30 20 DBED C[C@@]1(CNC(=O)C#CC2CC2)CN([C@H]2CCCNC2=O)CCO1 1107933073 XVJGCXPAZUSMKU-WMLDXEAASA-N 319.405 -0.115 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)CCc1cnn[nH]1 1108131740 ZGYNTGPXECJXIB-SECBINFHSA-N 300.326 -0.562 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)CCN2CCCC2=O)C1 1108405053 RLHOJDZWTOJKEI-MRXNPFEDSA-N 307.394 -0.161 30 20 DBED Cc1cc(C#N)nc(N(C)C[C@H](C)NC(=O)Cn2cncn2)n1 1108960559 OPGIQFHTQFINMQ-NSHDSACASA-N 314.353 -0.111 30 20 DBED CN(C)C(=O)CC(=O)NCC1(Nc2ccc(C#N)nn2)CC1 1110361977 MONNUZUHGVRYFQ-UHFFFAOYSA-N 302.338 -0.113 30 20 DBED C[C@]1(NC(=O)Cn2cnnn2)CCN(c2ccncc2C#N)C1 1110711220 UUUHXARLMBOMHA-AWEZNQCLSA-N 312.337 -0.275 30 20 DBED N#Cc1ccc(N2CCC(F)(F)[C@@H](CNC(=O)C(N)=O)C2)nn1 1111013293 BCJHLTGMEDGXTR-QMMMGPOBSA-N 324.291 -0.589 30 20 DBED CCOCC(=O)N(C)[C@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1111169918 PGMMZDKUWNVTRM-RYUDHWBXSA-N 305.338 -0.607 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)CC(=O)NC)C[C@@H](C)O2 1111542797 WCHYYOJXRVFTID-CYBMUJFWSA-N 307.394 -0.162 30 20 DBED C=CCOCC(=O)N[C@]12CCC[C@H]1CN(CC(=O)NCC#N)C2 1111658952 WEZDJCOVTWVYCQ-BBRMVZONSA-N 320.393 -0.201 30 20 DBED N#Cc1nccc(NC2(CNC(=O)[C@H]3CCNC3=O)CCC2)n1 1111880912 WEGUPVHOBMGRHK-JTQLQIEISA-N 314.349 -0.065 30 20 DBED COC(=O)NCC(=O)N1C[C@H](C)[C@H](Nc2cnc(C#N)cn2)C1 1112298649 YYEWEFHIDLWEGN-GXSJLCMTSA-N 318.337 -0.037 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)CCC(=O)NCC)CC1 1112698876 JMIVGINZXIZPLC-CYBMUJFWSA-N 324.425 -0.262 30 20 DBED O=C(CN1CCN(C(=O)C#CC2CC2)CC1)NC[C@H]1CCOC1 1112832055 DDHQTWUTQYPQGN-OAHLLOKOSA-N 319.405 -0.303 30 20 DBED COCC#CCN1CCN(C(=O)CC2CS(=O)(=O)C2)CC1 1113044208 MYAIRPACKGXFPC-UHFFFAOYSA-N 314.407 -0.785 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)c2[nH]nnc2C)CC1 1113181834 JFNMEGFQWUINPM-NSHDSACASA-N 306.370 -0.438 30 20 DBED C[C@@H](N=c1cc[nH]c(C#N)n1)[C@@H](C)NC(=O)c1cn(C)c(O)n1 1113311889 QXEVITSWEDXOKT-RKDXNWHRSA-N 315.337 -0.172 30 20 DBED C=CCCCN1CCN(C(=O)CN2CC(=O)N(C)C2=O)CC1 1113533100 SPIHNAAGCCJMLU-UHFFFAOYSA-N 308.382 -0.009 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)[C@H]3CCCCO3)[C@@H]2C1 1114140676 KGRTWRIAJCLWLA-JHJVBQTASA-N 305.378 -0.649 30 20 DBED C#CCOCCC(=O)N[C@H]1[C@@H]2CN([C@H]3CCCNC3=O)C[C@@H]21 1114266802 XBXMOBLQDGJWIU-SFDCQRBFSA-N 305.378 -0.649 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H]1[C@@H]2CN(CC(=O)NC3CC3)C[C@@H]21 1114271273 RVMQXSPMUWNUOI-PBOSXPJTSA-N 305.378 -0.650 30 20 DBED C#CCN1C[C@H]2C(NC(=O)CNC(=O)c3ccoc3C)[C@@H]2C1 1114316809 MGEYEHAQQFTCJC-CHWSQXEVSA-N 301.346 -0.003 30 20 DBED N#Cc1cnc(N2C[C@H]3C(CNC(=O)CC(N)=O)[C@@H]3C2)cn1 1114546584 FXYLWNZJIUFFTI-QWRGUYRKSA-N 300.322 -0.978 30 20 DBED N#Cc1ccc(NC[C@H]2C[C@H](NC(=O)CNC(N)=O)C2)nc1 1114735945 PXJAPJCQTUCJLG-XYPYZODXSA-N 302.338 -0.072 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)C[C@H]3CCC(=O)N3)[C@@H]2C1 1114960019 OQNLBPWDRLZEGJ-JHJVBQTASA-N 305.378 -0.649 30 20 DBED CN(CCOCCNC(=O)CC(N)=O)c1ccc(C#N)cn1 1115200145 PVEPTDCKBLQDRJ-UHFFFAOYSA-N 305.338 -0.602 30 20 DBED C[C@@H](CN(C)C(=O)[C@H]1CN(C)CCO1)Nc1cnc(C#N)cn1 1115664576 UBVWLRDMWKSZAR-WCQYABFASA-N 318.381 -0.062 30 20 DBED C[C@H](CN(C)C(=O)[C@H]1COC(=O)N1)Nc1ccc(C#N)nn1 1115702976 PQFRYUFGFDGHPR-PSASIEDQSA-N 304.310 -0.285 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@H]1CCSC1 1117297112 FEDRXMRFHJWECR-VIFPVBQESA-N 306.409 -0.675 30 20 DBED C[C@@H]1CN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)C[C@@H](C2CC2)O1 1118249688 QHXMQKVAHIIQLJ-FFSVYQOJSA-N 321.377 -0.111 30 20 DBED CCN1C[C@@H](CNC(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)CC1=O 1118360765 CBQJKWLHWXOFRG-QJPTWQEYSA-N 306.366 -0.221 30 20 DBED CC[C@H](CN1CCOCC1)NC(=O)C(=O)N1CCC(C#N)CC1 1119913787 UAHJLRUUOOFGOH-CQSZACIVSA-N 322.409 -0.024 30 20 DBED CC(=O)NCC(=O)N1C[C@H](Nc2ccc(C#N)nn2)C[C@@H]1C 1123121805 PCKZRBLTSWFPON-JOYOIKCWSA-N 302.338 -0.114 30 20 DBED C=C[C@@](C)(O)CC(=O)N(C)C[C@@H](O)CNc1cnc(C#N)cn1 1124267724 XJUNPXCBORFYSO-SWLSCSKDSA-N 319.365 -0.093 30 20 DBED CN(C[C@H](O)CNc1cncc(C#N)n1)C(=O)c1ccncn1 1124466268 LYWPRTZXQCCZFL-LLVKDONJSA-N 313.321 -0.317 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C[C@@H](O)CNc1nccnc1C#N 1124520419 SLVUXHYTELQPDH-NEPJUHHUSA-N 317.349 -0.382 30 20 DBED C=C[C@H](C)[C@@H](C)C(=O)NCCNCc1cc(=O)n(C)c(=O)n1C 1132577669 YPNVSTAIPNKYNF-NWDGAFQWSA-N 322.409 -0.252 30 20 DBED C#CCNC[C@H]1CN(C(=O)CS(=O)(=O)N(C)C)CC[C@@H]1C 1133274063 ARFXEIWVZVLDJS-STQMWFEESA-N 315.439 -0.415 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCNCC(=O)NC(=O)NC 1135147970 WKPBALKXBXOPHH-JQWIXIFHSA-N 312.370 -0.871 30 20 DBED C#CCNC(=O)CNCCNC(=O)Cc1cc(F)ccc1OC 1135600398 UVUITDMJKFSIPN-UHFFFAOYSA-N 321.352 -0.168 30 20 DBED CN1CCC[C@@H]1C(=O)N1CC2(CCN(CC(=O)NCC#N)C2)C1 1147212973 XSJMTVUXZWZFGR-CYBMUJFWSA-N 319.409 -0.745 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)COc1ccsc1 1147940067 PFKXOLQYIVQEPW-NSHDSACASA-N 309.391 -0.029 30 20 DBED CC#CCN1CCC2(C1)CN(C(=O)COCc1ncnn1C)C2 1148519826 MSAXBORQDSPTNM-UHFFFAOYSA-N 317.393 -0.111 30 20 DBED COCC#CCN1CCC2(C1)CN(C(=O)Cc1nc[nH]n1)C2 1148571335 IGQABYYKTXTEPR-UHFFFAOYSA-N 303.366 -0.469 30 20 DBED C=CCNC(=O)CN1CCCO[C@@H](CNC(=O)c2cnco2)C1 1150054195 PLLFIMXVNNYZMR-LBPRGKRZSA-N 322.365 -0.203 30 20 DBED C#CCNC(=O)CC(=O)NCCCN[C@H](C)c1nc(CC)no1 1156857227 JCQIRTUVEOMMBX-LLVKDONJSA-N 321.381 -0.072 30 20 DBED C#CCNC(=O)CNCCCNC(=O)Cc1ccn(CC)n1 1158443036 SOCFJANIKWLKRN-UHFFFAOYSA-N 305.382 -0.709 30 20 DBED C[C@H](C#N)C(=O)NCCC1(CNCc2nc(=O)n(C)[nH]2)CC1 1163854032 IJUUDZXCJAJFOY-SNVBAGLBSA-N 306.370 -0.356 30 20 DBED C#CCNC(=O)CC(=O)NCCC1(CN[C@@H](C)C(=O)NC)CC1 1164182964 RBPPYXIDJZBHIR-LBPRGKRZSA-N 322.409 -0.864 30 20 DBED C=CCNC(=O)CNCC1(CCNC(=O)[C@H]2COC(=O)N2)CC1 1164387883 ZIXSUEIYQGLFNQ-LLVKDONJSA-N 324.381 -0.727 30 20 DBED C=CCNC(=O)CNCCCC[C@@H](C)NC(=O)[C@@H]1CCNC1=O 1174658170 BWFFAYKQUFHYLC-CHWSQXEVSA-N 324.425 -0.311 30 20 DBED C#CCN1CCC(C(=O)NCCCNC[C@H](O)COC)CC1 1176926639 QZVVGGBZWAHJIZ-HNNXBMFYSA-N 311.426 -0.565 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2cnn(CC)c2)[C@H]1C 1178366684 MMKDMNPKJNGKLU-JSGCOSHPSA-N 317.393 -0.155 30 20 DBED CC#CCN[C@H]1CCN(C(=O)CC[C@@H]2NC(=O)NC2=O)[C@H]1C 1180083805 KVLZXEOXDVCYCH-SRVKXCTJSA-N 306.366 -0.423 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](N[C@@H](C)C(=O)NC2CC2)C1 1182523204 XTZXQTRFGOZFGF-GXTWGEPZSA-N 307.394 -0.116 30 20 DBED CC#CCNC[C@]1(C)CN(C(=O)CS(=O)(=O)NC)C[C@H]1C 1183448548 ATIAZALHQBWELT-TZMCWYRMSA-N 315.439 -0.367 30 20 DBED C#CCNC[C@H]1CCN(C(=O)CN2CCN(C)C(=O)C2)C[C@@H]1C 1184693751 UIEUCLTWAOUIJC-LSDHHAIUSA-N 320.437 -0.532 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H](C)c2cncnc2)C1 1185129650 WFIKYWWJDMHHTM-GXTWGEPZSA-N 315.377 -0.480 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)COCc2nncn2C)C1 1186718468 WNZBRBLODSRNMD-CYBMUJFWSA-N 321.381 -0.828 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CCN(C(C)=O)C2)C1 1187491357 OSQMDHDLKHHYDA-ZIAGYGMSSA-N 322.409 -0.653 30 20 DBED C=CCCC(=O)N1CC[C@H](N(C)CC(=O)N2CCNC(=O)C2)C1 1189279331 JHSXTEJFERGFOK-ZDUSSCGKSA-N 322.409 -0.556 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](N(C)CC(=O)N2CCC2)C1 1190121312 OSGMIQSPYUZZCD-CQSZACIVSA-N 307.394 -0.209 30 20 DBED CCN(CCC#N)C(=O)CN1C[C@@H](O)[C@H](NC(=O)C=C(C)C)C1 1190842271 DWTQWYXNSPWKLP-ZIAGYGMSSA-N 322.409 -0.124 30 20 DBED CC#CCN(C)[C@H]1CCN(C(=O)CN2CCN(C)C(=O)C2)C1 1191028480 BDZRBZLZTGXRMM-AWEZNQCLSA-N 306.410 -0.684 30 20 DBED C#CCC1(C(=O)N[C@@H]2CN(Cc3nnn(C)n3)C[C@H]2O)CCC1 1193684792 CHZWLXHOGGBFDN-VXGBXAGGSA-N 318.381 -0.935 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)CCc2nc(C)no2)C1 1195189888 LJNVKNMIGQISEK-CHWSQXEVSA-N 324.381 -0.325 30 20 DBED CCc1cc(C(=O)N2CCC(NCC(=O)NCC#N)CC2)n[nH]1 1199381157 SSTWGJPBHDBVPO-UHFFFAOYSA-N 318.381 -0.194 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)CNC(=O)CC)CC1 1199827550 ZCRGEOFNODFRNX-UHFFFAOYSA-N 310.398 -0.605 30 20 DBED CNC(=O)CNC[C@H]1CN(C(=O)CSCC#N)CCCO1 1199914748 VESKNVIYATUDBO-NSHDSACASA-N 314.411 -0.804 30 20 DBED CC(C)C#CC(=O)N1CCCO[C@@H](CNCC(=O)NCC#N)C1 1200460950 DJOIDWHHKCCDCX-AWEZNQCLSA-N 320.393 -0.507 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCC(CNCc2nnnn2C)CC1 1205119263 QGYKDLFEVWAUDI-HNNXBMFYSA-N 322.413 -0.135 30 20 DBED N#CCNC(=O)CNCC1CCN(C(=O)c2cnon2)CC1 1206649444 ASJWTRMKJBZGKW-UHFFFAOYSA-N 306.326 -0.849 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)CC[C@@H]2CCOC2)[C@H](C)C1 1206865776 FLQPALDVGLOMEQ-RBSFLKMASA-N 321.421 -0.011 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@H](NCc2cnn(C)c2)C1 1207870482 ZOEJTKXOPGUFRN-AWEZNQCLSA-N 317.393 -0.360 30 20 DBED COCC#CCN1C[C@@H](NC(=O)[C@H]2CCC(=O)N2C)[C@H](C)C1 1208396269 QHUKXWOBCOBTLG-MGPQQGTHSA-N 307.394 -0.307 30 20 DBED CC[C@H](C(=O)N1CCC[C@@H](NCC(=O)NCC#N)C1)N(C)C 1208411596 YDEJDTDHIREFRD-CHWSQXEVSA-N 309.414 -0.453 30 20 DBED CC(C)NC(=O)CN(C)CC(=O)N1CCC[C@@H](NCC#N)C1 1208495422 ZKHOKJPNHKUQPD-CYBMUJFWSA-N 309.414 -0.453 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2ccc(C#C)nc2)[C@H](C)C1 1210411637 IRPNWKHVPARTLA-CZUORRHYSA-N 324.384 -0.138 30 20 DBED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)C1[C@@H]2CCC[C@@H]12 1212081552 ORGBDPKAHPJTRN-FDYHWXHSSA-N 320.393 -0.512 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2cnn(C)n2)C[C@H]1OC 1212262104 AZNSYZILZDZOFC-ZIAGYGMSSA-N 321.381 -0.830 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)C(C)(C)C)[C@H](OC)C1 1213759357 HJYGOYWZKOTWEK-YNEHKIRRSA-N 309.410 -0.014 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)CNC(=O)c1ccsc1 1213878201 IUGOBIMPKVPDNY-VXGBXAGGSA-N 322.390 -0.183 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CCN(C(=O)[C@H](C)COC)C[C@@H]21 1222443472 XZVQYRMWMGVLTE-KFWWJZLASA-N 321.421 -0.059 30 20 DBED CNC(=O)CNC(=O)C(=O)Nc1ccccc1O[C@H](C)C#N 1254358374 GJMCMZQJALNWJC-SECBINFHSA-N 304.306 -0.222 30 20 DBED CN(C)C(=O)CCCNC(=O)C(=O)NC1CCN(CC#N)CC1 1257454188 OJTJFONISNWQIA-UHFFFAOYSA-N 323.397 -0.925 30 20 DBED C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CCN1 1262069782 KOIBMWRLNJZDKC-BZPMIXESSA-N 319.409 -0.558 30 20 DBED CCCNC(=O)CNC(=O)NCCN/C(O)=C1\N=CC=CC1=O 1318456009 ZWBBNBRNZBGZML-OUKQBFOZSA-N 323.353 -0.662 30 20 DBED CCN1C(=O)[C@@H]2CN(C(=O)C3(C#N)CCOCC3)CCN2C1=O 1319069395 ZVSOBDZRRJLEAY-NSHDSACASA-N 320.349 -0.198 30 20 DBED COCCO[C@H]1COCC[C@H]1NC(=O)Cn1cnc(C#N)n1 1320461649 QQDLIYHHPOMERV-MNOVXSKESA-N 309.326 -0.914 30 20 DBED C#CCCN1CCN([C@@H](C)C(=O)N2CCC(C(N)=O)CC2)CC1 1320658384 BBKIJFLXPGDGJQ-AWEZNQCLSA-N 320.437 -0.260 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCSC[C@@H]1CCO 1322967708 YHBTZBJMHZDEAR-NSHDSACASA-N 300.380 -0.921 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@@H]1C=CCCC1 1324811053 LLETXINUVMRHTN-LLVKDONJSA-N 300.380 -0.072 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2C[C@@H](O)C[C@@H](C)C2)C1=O 1325591870 NCBQOXLJILNGRO-AGIUHOORSA-N 323.393 -0.539 30 20 DBED C#CCOCCNC(=O)C(=O)N1C[C@@H](N)[C@H](c2ccccc2)C1 1327521853 WTZMYUBWNGUURI-LSDHHAIUSA-N 315.373 -0.294 30 20 DBED C=C[C@H](CO)NC(=O)C(=O)Nc1cc([C@@H]2CCCO2)nn1C 1328318678 YFPCTAYHFPAVIO-KOLCDFICSA-N 308.338 -0.127 30 20 DBED N#CC[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)C1 1329030578 AKLOHIFAQPJUHD-TUAOUCFPSA-N 322.365 -0.712 30 20 DBED CC[C@@H]1CN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)CCO1 1332038055 SBYVSWOVLRQBRK-ZIAGYGMSSA-N 320.393 -0.177 30 20 DBED C=C(C)Cn1c([C@@H]2CCNC(=O)C2)nnc1N1CCNC(=O)C1 1342155776 CBJSKSXAHHRLTA-LLVKDONJSA-N 318.381 -0.216 30 20 DBED C=CCn1c(CCO)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1356153262 XORAZEYURLQOLH-JTQLQIEISA-N 300.384 -0.378 30 20 DBED C[C@H](C(=O)N1CCS(=O)(=O)[C@@H]2CCC[C@H]21)n1cnc(C#N)n1 1363218797 DGABTYCVAGZJMO-GMTAPVOTSA-N 323.378 -0.111 30 20 DBED C=C(Cl)CNC[C@@H](O)CNC(=O)C[C@H]1CCCC(=O)N1 1367608906 WKAATQFJWYHHAX-GHMZBOCLSA-N 303.790 -0.136 30 20 DBED CCn1nncc1C(=O)N(C)CCNC(=O)c1cc(C#N)c[nH]1 1373397772 VPNPPEUZRIJWCS-UHFFFAOYSA-N 315.337 0.000 30 20 DBED C=C(Br)CNC[C@H](O)CNC(=O)c1cnn[nH]1 1374625304 QNWBDEYDNSNTQG-ZETCQYMHSA-N 304.148 -0.606 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)[C@@H]2CCc3nncn3C2)CC1 1389870259 IZWFNAVNQHFLNL-GHMZBOCLSA-N 316.365 -0.235 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)[C@@H]2CCN(C)C(=O)C2)CC1 1389966073 XXENMYFUYVEXGS-WDEREUQCSA-N 306.366 -0.221 30 20 DBED C[C@@H](C#N)C(=O)NCC[C@@H]1CCCCN1C(=O)Cn1ncnn1 1409804253 CNLXQNVKCFZQBT-RYUDHWBXSA-N 319.369 -0.280 30 20 DBED C[C@H](C(=O)Nc1n[nH]cc1C(=O)N(C)C)n1cnc(C#N)n1 1412561923 DNYPCOSYWQQZNP-SSDOTTSWSA-N 302.298 -0.226 30 20 DBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[C@H]1CO 1413663468 HVEZQCXTSJQHES-JQWIXIFHSA-N 323.374 -0.182 30 20 DBED Cc1nn(C)cc1C(=O)NC[C@@]1(O)CCN(C(=O)[C@H](C)C#N)C1 1417435062 RBPAULIKFBFAMJ-BMIGLBTASA-N 319.365 -0.419 30 20 DBED N#Cc1cn(CC(=O)NCCc2nccs2)c(=O)nc1O 1417623680 AKHGNIGVKYMZDD-UHFFFAOYSA-N 305.319 -0.364 30 20 DBED CCn1cc(C(=O)N(C)C[C@H](O)CNC(=O)[C@H](C)C#N)cn1 1425774109 LVXZULUGYHEXOC-ZYHUDNBSSA-N 307.354 -0.388 30 20 DBED CCCc1nc(CN2CC(O)(CNC(=O)[C@H](C)C#N)C2)no1 1446832795 RWFIGMMKZSBNHK-SNVBAGLBSA-N 307.354 -0.155 30 20 DBED Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H]1CN(C)NC1=O 1446835915 MMWMLQXTERKYBV-ZDUSSCGKSA-N 318.381 -0.192 30 20 DBED CN(CCNC(=O)C[C@@H]1CCC(=O)N1)C(=O)c1cc(C#N)c[nH]1 1449028288 VWNJOOCPPRGROH-NSHDSACASA-N 317.349 -0.257 30 20 DBED C[C@H](C#N)C(=O)NCC1CN(C(=O)c2ccc(C(N)=O)[nH]2)C1 1450715347 RXLCQBQJYWUIOA-MRVPVSSYSA-N 303.322 -0.539 30 20 DBED CNS(=O)(=O)CCn1c(C)nnc1N(C)[C@H](C)CC#N 1454920480 NTAVLXBCZGVDCF-SECBINFHSA-N 300.388 -0.126 30 20 DBED C=CC[C@H](C)NC(=O)[C@@H]1[C@H](O)C(=O)N(C)[C@H]1c1cnn(C)c1 1521002487 BJIBYHQJVTVNLJ-BQUFFADESA-N 306.366 -0.009 30 20 DBED N#Cc1cc(C(=O)NC[C@H](O)CNC(=O)[C@@H]2CCOC2)c[nH]1 1533206771 XVYIPRPDXYYDIY-BXKDBHETSA-N 306.322 -0.870 30 20 DBED N#Cc1cn(CC(=O)NCc2cn3ccccc3n2)c(=O)nc1O 1540351940 SCDXZMSNSAZJKH-UHFFFAOYSA-N 324.300 -0.215 30 20 DBED COCC#CCN[C@H](C)[C@@H](C)NC(=O)CCOCc1cnn[nH]1 1576953401 NUGBHWBEIMRECC-CHWSQXEVSA-N 323.397 -0.156 30 20 DBED N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)[C@@H]1[C@H]2CCNC[C@H]21 1580057450 VTZQDLKGBLIKEH-MVWJERBFSA-N 316.365 -0.088 30 20 DBED C#CCN(CC(=O)O)CC(=O)NC[C@@H]1COc2ccccc2O1 1588420392 XQUYZQHCAHJUJY-GFCCVEGCSA-N 318.329 -0.038 30 20 DBED C=C(C)Cn1nnnc1N1CCN([C@]2(C(=O)O)CCOC2)CC1 1588599250 KODDBIVQKPCDEM-CQSZACIVSA-N 322.369 -0.385 30 20 DBED C=CCO[C@@H]1CCN(C(=O)NCCC(=O)NCCC(=O)O)C1 1588850063 VTULMHBKPKPWCJ-LLVKDONJSA-N 313.354 -0.046 30 20 DBED CN1CCC(C#N)(NC(=O)c2ccnc(-c3nn[nH]n3)c2)CC1 1591172436 UQQMFJGFETVYHH-UHFFFAOYSA-N 312.337 -0.021 30 20 DBED C[C@@H](/C=C/C(=O)O)NC(=O)CCn1cc(C#N)c(O)nc1=O 1592194227 UNVPSHOJVXFGJJ-SGJFDWMWSA-N 306.278 -0.644 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CCO[C@H](CC(=O)O)C1 1596300397 YYGCZMKIOGFPCW-SNVBAGLBSA-N 305.356 -0.358 30 20 DBED N#Cc1nc(C(=O)O)ccc1N1CCC(O)(COCCO)CC1 1601133143 KKUPOEYJSFNEFK-UHFFFAOYSA-N 321.333 -0.008 30 20 DBED C#CC[C@H](COC)NC(=O)C(=O)Nc1cncc(C(=O)O)c1 1602674960 HIEZPGCADLTOTP-SNVBAGLBSA-N 305.290 -0.127 30 20 DBED C#CCN(CC(=O)O)c1nnc([C@@]2(C)CNC(=O)C2)n1CC 1602700998 RBWLONMWQMWFKG-CQSZACIVSA-N 305.338 -0.400 30 20 DBED C=CCC1(O)CCN(C(=O)C(=O)NC[C@H]2C[C@H]2C(=O)O)CC1 1602851304 GYJRYFACOLMOPR-GHMZBOCLSA-N 310.350 -0.247 30 20 DBED C=CCN1CC[C@@H](N(C)c2cnc(-c3nn[nH]n3)cn2)C1=O 1602863435 WOHPGOMNNVODSZ-SNVBAGLBSA-N 300.326 -0.120 30 20 DBED COC[C@@](C)(O)c1nnc(N2CCN(CCC#N)CC2)n1C 1650278213 YXCZIPSSQSYSFZ-CQSZACIVSA-N 308.386 -0.295 30 20 DBED C=CCNC(=O)CN[C@H](CNC(=O)[C@H]1CCC(=O)N1)C1CC1 1752451779 SDTAJHXUGLLBTM-VXGBXAGGSA-N 308.382 -0.948 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H](C)NCCNS(C)(=O)=O)cn1 1752913734 LQNBEUFNBAXPOV-LLVKDONJSA-N 324.406 -0.680 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H]1CCCN1Cc1nncn1C 1753102278 GWFHJXKSZLULSO-OLZOCXBDSA-N 305.382 -0.066 30 20 DBED C=CCNC(=O)CN1CCC[C@@H]1CNC(=O)c1cnnn1C 1753104526 GQHQVVJHJLFFOC-LLVKDONJSA-N 306.370 -0.689 30 20 DBED C#CCN[C@H](C)[C@@H]1CCCN(C(=O)CCNC(=O)COC)C1 1753793145 CYRWSRHQLWERFK-ZIAGYGMSSA-N 309.410 -0.011 30 20 DBED Cc1nocc1C(=O)NC[C@H](NCC(=O)NCC#N)C(C)C 1753838678 SZHTYHCVQCMITO-LBPRGKRZSA-N 307.354 -0.033 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)CCN(C)C(=O)CCc1cnc[nH]1 1753854632 QVBRAPXWMGABGA-CYBMUJFWSA-N 319.409 -0.130 30 20 DBED CN(CCN(C)C(=O)[C@H]1CCCCN1C)CC(=O)NCC#N 1753857688 XRGSKURPYCETPM-CYBMUJFWSA-N 309.414 -0.499 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)/C=C/c1ccc[nH]1 1753909980 NRMFHDZBRVZTGP-XFUXEANSSA-N 318.377 -0.768 30 20 DBED C#CCNC(=O)CNCC[C@@H](C)NC(=O)Cn1nc(C)cc1C 1753980703 NXLRVBSZKUJXCP-GFCCVEGCSA-N 319.409 -0.266 30 20 DBED C[C@@H](CNCC(=O)NCC#N)NC(=O)C[C@@H](C)n1ccnc1 1754286065 WMMAXPRSOJERLQ-NWDGAFQWSA-N 306.370 -0.432 30 20 DBED C=CCCNC1(CNC(=O)Cn2ccc(=O)n(C)c2=O)CC1 1754516868 RLBOFZMLXKLIRY-UHFFFAOYSA-N 306.366 -0.639 30 20 DBED CS(=O)(=O)NCCC(=O)N1CC[C@@]2(CCN(CC#N)C2)C1 1754565302 NKOJWKOOPSCWAZ-CYBMUJFWSA-N 314.411 -0.626 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC(N(C)C(=O)c2[nH]c(O)nc2C)C1 1754578728 QWRHZQQCJWLOCA-SNVBAGLBSA-N 319.365 -0.682 30 20 DBED N#CCSCC(=O)NC[C@@]1(O)CCN(Cc2cnon2)C1 1754747510 NRBGDYKKYUFHPT-LBPRGKRZSA-N 311.367 -0.621 30 20 DBED C[C@@]1(CCC(=O)N[C@]2(CO)CCCN(CC#N)C2)CCC(=O)N1 1754863487 WMZKGMJWRJGQHS-JKSUJKDBSA-N 322.409 -0.098 30 20 DBED CCn1nccc1C(=O)NCC1(NCC(=O)NCC#N)CCC1 1754981614 ZDUIBESKTAENBM-UHFFFAOYSA-N 318.381 -0.215 30 20 DBED C=CCNC(=O)CNCC1CC(NC(=O)c2cncnc2O)C1 1755213210 YBYFTLOYNMIDJW-UHFFFAOYSA-N 319.365 -0.418 30 20 DBED C=C[C@H](CC)CC(=O)N[C@H](CO)CNC(=O)c1cn(C)nn1 1756518429 YRISECJBKGPPRH-MNOVXSKESA-N 309.370 -0.376 30 20 DBED CN(CC(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O)C1CCC1 1757008114 UCFKTQWXPWITSO-HUUCEWRRSA-N 319.405 -0.428 30 20 DBED O=C(O)CNS(=O)(=O)c1ccc(C=Nn2ccnn2)cc1 1776061272 NQRQICHQCNHYMR-UHFFFAOYSA-N 309.307 -0.477 30 20 DBED N#CCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCO3)C2)C1 1783480166 BLZFFCFFYMAYEL-WFASDCNBSA-N 307.350 -0.091 30 20 DBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)CCC#N)C2)C1 1839806496 CFXMAVXGTVCSBF-OAHLLOKOSA-N 305.334 -0.620 30 20 DBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)/C(C)=C/OC)C2)C1 1839808290 OZFFAQGUTKBFIN-LRFDDAOPSA-N 322.361 -0.374 30 20 DBED C=CCOCCCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(O)O 1847443609 VEHUTVQEXVTXOC-RYUDHWBXSA-N 312.366 -0.518 30 20 DBED CS(=O)(=O)NCCNC[C@H](O)COc1ccccc1C#N 37891419 BQGZBKYPWLGARG-LBPRGKRZSA-N 313.379 -0.563 30 20 DBED CC(=O)N1CCCN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC1 54369407 PULBQLKYYCPSPJ-UHFFFAOYSA-N 305.338 -0.986 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CC(=O)N(CC)C2)CC1 75893336 RMARJAHOEATCGH-CYBMUJFWSA-N 322.409 -0.699 30 20 DBED C#CC[C@@H](NC(=O)C1CCN(S(=O)(=O)CC)CC1)C(=O)O 149902854 RBILXQVQSQKXBN-LLVKDONJSA-N 316.379 -0.359 30 20 DBED COCCN/C(N)=N/CCNS(=O)(=O)c1ccc(C)cc1 264085620 JNADSZFMCRNUKN-UHFFFAOYSA-N 314.411 -0.176 30 20 DBED C[C@@H]1CN(CC(=O)NCc2ccc(C#N)cc2)C[C@H](C(N)=O)O1 268481569 SHFWUIDDOTZYDJ-BXUZGUMPSA-N 316.361 -0.251 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N[C@H](C)CN1CCCC1=O 272882605 VXALTCCUFXJQJR-LLVKDONJSA-N 317.411 -0.103 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)[C@@H]2CCOC2)c1=O 273849884 HIVLEBIMZFIQJI-LLVKDONJSA-N 321.333 -0.851 30 20 DBED Cc1ccn(C[C@](C)(O)C(=O)N2CCO[C@H](C#N)C2)c(=O)c1 280769049 YXDMZEYYYRLVOI-DOMZBBRYSA-N 305.334 -0.341 30 20 DBED CCN1CCN(C(=O)C(=O)Nc2ccc(C#N)cn2)CC1=O 293641681 ICCRQSLTSIQHCI-UHFFFAOYSA-N 301.306 -0.418 30 20 DBED Cc1ncc(S(=O)(=O)NC[C@H]2CN(C)CCN2C)cc1C#N 320422427 UGTDFDNQVYDZSD-ZDUSSCGKSA-N 323.422 -0.214 30 20 DBED CN(CC(=O)N1CCOCC1)/C(O)=N/[C@H]1CCc2nc[nH]c2C1 329724541 FYQCNVYMPLNBQB-NSHDSACASA-N 321.381 -0.028 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1CCn2ccnc2C1 330383583 JWPPVMHWFVLHBR-UHFFFAOYSA-N 313.383 -0.194 30 20 DBED COC(=O)[C@@H]1CNC(=O)CN1C(=O)c1ccc(C#N)c(C)n1 330992642 SQVRLJQZJZIHMF-NSHDSACASA-N 302.290 -0.625 30 20 DBED CNC(=O)[C@@H]1CCC[C@@H]1NS(=O)(=O)N(C)C[C@H](C)C#N 336902619 XSOODGCKIZLPNY-MXWKQRLJSA-N 302.400 -0.173 30 20 DBED C[C@H](NS(=O)(=O)N(C)C[C@@H](C)C#N)C(=O)N1CCCC1 337247860 PFLLSVHGCSFRMU-QWRGUYRKSA-N 302.400 -0.077 30 20 DBED CCOC(=O)[C@@](C)(O)CNS(=O)(=O)N(C)[C@@H](C)CC#N 337852282 YDPCRQFAUIJZOZ-ONGXEEELSA-N 307.372 -0.631 30 20 DBED CS(=O)(=O)N1CCCN(CC(=O)NC2(C#N)CCC2)CC1 346847230 OKPKNICWWFVIOL-UHFFFAOYSA-N 314.411 -0.484 30 20 DBED CN(CC(=O)NC1(C#N)CCC1)C[C@H](O)CN1CCOCC1 347049796 ITVHHNVFBGNALU-ZDUSSCGKSA-N 310.398 -0.826 30 20 DBED C=C[C@@H](CO)NS(=O)(=O)c1ccc2c(c1)S(=O)(=O)CC2 349803121 RWTBLQRMECLUDQ-JTQLQIEISA-N 317.388 -0.158 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCN[C@H]2CC)CC1 353458943 LAGHVSNVBPOGNV-KBPBESRZSA-N 308.426 -0.179 30 20 DBED N#Cc1ncn(CCNC(=O)Cn2c(=O)cnc3ccccc32)n1 356300230 WBZNCRGKLGXFBG-UHFFFAOYSA-N 323.316 -0.324 30 20 DBED C=C[C@H](CO)NC(=O)N[C@@H]1CCCN(Cc2nccn2C)C1=O 359199507 QGTIJNLSOIVQJW-VXGBXAGGSA-N 321.381 -0.243 30 20 DBED C=CCNC(=O)NC(=O)CN1CCN([C@H]2CCC[C@@H]2O)CC1 369266198 ATDAPGPSSSPUAC-STQMWFEESA-N 310.398 -0.471 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)CCc2ccn(C)n2)CC1 429915079 XPTFUNALAHWAEO-UHFFFAOYSA-N 319.409 -0.201 30 20 DBED N#Cc1ccc(S(=O)(=O)NCCC(=O)NC(N)=O)s1 435437334 KJWIGWBORCHAIG-UHFFFAOYSA-N 302.337 -0.517 30 20 DBED C=CCN(C(=O)C(=O)Nc1ccn(CCN(C)C)n1)C1CC1 442401464 AYPBNKKXIBVRGI-UHFFFAOYSA-N 305.382 0.560 30 20 DBED COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)CNc1ccc(C#N)cn1 444443210 MIWNTUFQGMUVKB-RISCZKNCSA-N 318.333 -0.110 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)CCNS(=O)(=O)CC 447199793 MKCWEGLMOWOEIH-SNVBAGLBSA-N 311.429 -0.263 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N1CC[C@H](CS(C)(=O)=O)C1 490471571 PJIITWIBJZXSFD-MNOVXSKESA-N 323.440 -0.311 30 20 DBED C#CCNC(=O)Cc1cc(F)c(OC)c(S(N)(=O)=O)c1 490544410 PWKJAWOOCQGWAO-UHFFFAOYSA-N 300.311 -0.226 30 20 DBED C#CCNC(=O)C1CCN(CC(=O)NC[C@@H]2CCCO2)CC1 491155570 SRAXHOFBMPKGNI-AWEZNQCLSA-N 307.394 -0.257 30 20 DBED N#CC1(CNC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 555861848 BXRMDIOASUEWBI-CYBMUJFWSA-N 320.393 -0.413 30 20 DBED CC[C@H](O)CNC(=O)CNS(=O)(=O)c1cccc(C#N)c1 556321703 DMQKPJDMSIKHON-NSHDSACASA-N 311.363 -0.276 30 20 DBED Cc1ncc(S(=O)(=O)NC[C@H](O)[C@H]2CCOC2)cc1C#N 574699405 NTONTLVPPBCLBM-GWCFXTLKSA-N 311.363 -0.063 30 20 DBED CN(CCN1CCCC1=O)C(=O)CNc1ccc(C#N)cn1 584670261 FSGQBFKMWHMAJS-UHFFFAOYSA-N 301.350 0.446 30 20 DBED CC#CC[C@H](CO)NS(=O)(=O)c1c[nH]c(C(=O)OC)c1 592111633 JUISDTSOVMWGNT-SECBINFHSA-N 300.336 -0.146 30 20 DBED N#Cc1sccc1N1CCN(C(=O)C(=O)NCCN)CC1 595281310 HPVIYQPEVPQUGX-UHFFFAOYSA-N 307.379 -0.657 30 20 DBED CCOC[C@H](C(=O)OC)N(C)S(=O)(=O)N(C)C[C@@H](C)C#N 619712351 HAOUMIYMTHGLBF-WDEREUQCSA-N 321.399 -0.167 30 20 DBED C=CCOCCn1cc(CNC(=O)CN2CCCNCC2)nn1 641029595 IQMIHCUHSRORNR-UHFFFAOYSA-N 322.413 -0.608 30 20 DBED C=CCn1cc(C(=O)N2CCCN(S(C)(=O)=O)CC2)nn1 648725836 IUWPJMPVRHZYPB-UHFFFAOYSA-N 313.383 -0.428 30 20 DBED N#CCNC(=O)CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O 728148488 JFJMVPDOMFUHQR-OAHLLOKOSA-N 314.301 -0.144 30 20 DBED Cc1oc2ncn(C)c(=O)c2c1C(=O)N(CC#N)CC(=O)O 738974165 ACCOJCCJXCQMKB-UHFFFAOYSA-N 304.262 -0.115 30 20 DBED C#C[C@@H](NC(=O)NCCS(=O)(=O)NC1CC1)[C@@H]1CCCO1 776116934 GXWXOHKLMOWVBJ-NEPJUHHUSA-N 315.395 -0.452 30 20 DBED C#C[C@H](NC(=O)N(C)CC(=O)N1CCOCC1)[C@H]1CCCO1 776226897 HRSMNSWQTRDLEC-QWHCGFSZSA-N 309.366 -0.333 30 20 DBED C=CCNC(=O)COC(=O)[C@@](C)(O)Cn1ccc(C)cc1=O 790687853 VLIGCPYWODHCOZ-HNNXBMFYSA-N 308.334 -0.247 30 20 DBED C#CCC[C@@H](O)CNC(=O)Nc1ccn(CC(=O)N(C)C)n1 799211644 CCKYEWYLQPTYKQ-LLVKDONJSA-N 307.354 -0.133 30 20 DBED C#CCCS(=O)(=O)NC(=O)Cc1ccc(-n2cnnn2)cc1 810783011 AUCAEIMRPZGXIK-UHFFFAOYSA-N 319.346 -0.326 30 20 DBED CN(C[C@@H]1CCS(=O)(=O)C1)C(=O)[C@](C)(C#N)CC(=O)O 820580268 ZIMCEBRPRQCWAP-CABZTGNLSA-N 302.352 -0.116 30 20 DBED C#C[C@H](NC(=O)N1C[C@H](O)C[C@@H](C(=O)OC)C1)[C@@H]1CCCO1 826946428 NRFHJXTZYVPPJC-NDBYEHHHSA-N 310.350 -0.267 30 20 DBED CS(=O)(=O)N1CCCC[C@@H]1C(=O)N[C@H]1CNC[C@@H]1C#N 834495520 WLAJFQMLDNDKFM-GARJFASQSA-N 300.384 -0.972 30 20 DBED CC(C)[C@H](C(=O)N[C@@H]1CNC[C@H]1C#N)N1CCCS1(=O)=O 834500462 TZBZSXYTAKVKPO-IJLUTSLNSA-N 314.411 -0.726 30 20 DBED CNC(=O)CNC(=S)NN=C1CCCc2nc(N)ccc21 834956534 ASOJPJFURADCFI-UHFFFAOYSA-N 306.395 -0.086 30 20 DBED C#C[C@H](NC(=O)C(=O)NC[C@@]1(C)CCCNC1)[C@H]1CCCO1 842161389 BRGWNYWSGCECTK-ZENOOKHLSA-N 307.394 -0.211 30 20 DBED C#CCO[C@H](C)C(=O)N(C)CC(=O)N1CCC[C@@H](C(=O)O)C1 909434446 VJRVAUPWPMNPAU-VXGBXAGGSA-N 310.350 -0.194 30 20 DBED COC(=O)c1c[nH]nc1S(=O)(=O)Nc1n[nH]c(C)c1C#N 912558430 NYSBBIWQUMUSRX-UHFFFAOYSA-N 310.295 -0.100 30 20 DBED C=CCCn1cc(C(=O)N2CC[C@@H](N(C)C(=O)C(N)=O)C2)nn1 938588875 MUAVLFGWWGYRLM-SNVBAGLBSA-N 320.353 -0.988 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)[C@H]2CCCO2)C1 939294042 BTYCFBJRQDCJHV-QLFBSQMISA-N 319.405 -0.020 30 20 DBED C#Cc1cncc(C(=O)N2CC[C@H](N(C)C(=O)C(N)=O)C2)c1 939564964 LFKDBQXLEZKTTB-LBPRGKRZSA-N 300.318 -0.779 30 20 DBED COc1nc(C(=O)NC[C@@H]2CN(C(=O)[C@H](C)C#N)CCO2)co1 944683059 ZBWDYUSPPGVLFT-NXEZZACHSA-N 322.321 -0.200 30 20 DBED C[C@@H]1CCCN(C(=O)C(N)=O)[C@@H]1CNC(=O)c1ccc(C#N)[nH]1 945800871 OHDPLPBAJOQZMX-BXKDBHETSA-N 317.349 -0.271 30 20 DBED CC#CCN1CC[C@H](NC(=O)CN2CC(=O)N(C)C2=O)C[C@H]1C 947926468 YOSWERAVGVBQIJ-OLZOCXBDSA-N 320.393 -0.127 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CNC(=O)c2cnnn2C)CC1 949391288 VXTDLYMXIHKWFT-SNVBAGLBSA-N 304.354 -0.057 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCCN(C(=O)COC)C2)nn1 949721101 NMYCOTXWDGMSIX-LLVKDONJSA-N 307.354 -0.169 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]1CNC(=O)c1cncc(C(N)=O)c1 950117218 ZOPWQPKXKIUEGL-SKDRFNHKSA-N 315.333 -0.329 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]1CNC(=O)c1cc(C(N)=O)ccn1 951034351 XNZJWNAJJNZYTE-ONGXEEELSA-N 315.333 -0.329 30 20 DBED O=C(NC[C@@H]1CCN1C(=O)C#CC1CC1)c1ccc2nnnn2c1 951064239 YPVBUFOHEIVZBN-ZDUSSCGKSA-N 324.344 -0.132 30 20 DBED C[C@H]1C[C@@H](NC(=O)C(N)=O)CCN1C(=O)c1cc(C#N)c[nH]1 955618986 XJXIUUNOSZIEAS-WPRPVWTQSA-N 303.322 -0.519 30 20 DBED C=CCCN1C[C@H](O)[C@H](CNC(=O)c2nc3ncccn3n2)C1 958506975 JBZYMDCQKNJPQG-NEPJUHHUSA-N 316.365 -0.277 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2c(OC)ccnc2O)C1 958593764 BMDGVVXXQHJOAT-MNOVXSKESA-N 305.334 -0.549 30 20 DBED Cn1cc(CN2C[C@@H]3C(NC(=O)c4c[nH]c(C#N)c4)[C@H]3C2)nn1 958618795 WIWHIQZULIKDBG-STQMWFEESA-N 311.349 -0.125 30 20 DBED Cc1cn(C)nc1C(=O)N(C)[C@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1O 958844059 YSRSLOIDMAWXBU-DLOVCJGASA-N 319.365 -0.468 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(O)nc2)C1 958959800 KJDNLQYWTCLHJS-DLOVCJGASA-N 318.333 -0.409 30 20 DBED CC#CCN1C[C@@H]2C(NC(=O)Cn3ccc(O)nc3=O)[C@H]2C1 960849737 CNQNIXMNBLZUTB-QWRGUYRKSA-N 302.334 -0.981 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CN(C(=O)[C@@H]3CN(C)CCO3)C[C@H]2C1 961243438 CEWNHOWPWFIOMP-MQYQWHSLSA-N 320.393 -0.607 30 20 DBED C[C@H](C#N)C(=O)N1CCCC[C@@H]1CNC(=O)c1nnn(C)n1 964576108 OTQXBNVOEMXKOQ-NXEZZACHSA-N 305.342 -0.519 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(C[C@@H](NC(=O)c3cccnn3)CO2)C1 965791466 MRCGAUPGDIJKLH-WDEREUQCSA-N 315.333 -0.264 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](C)[C@@H](NC(=O)Cn2ncnn2)C1 966661287 HHCJKCYMPQDJIH-QWRGUYRKSA-N 306.370 -0.152 30 20 DBED C#CCCN1CC([C@@H](C)NC(=O)[C@@H]2CCN(C)S2(=O)=O)C1 970570640 VTQFYKUZWXOLML-YPMHNXCESA-N 313.423 -0.520 30 20 DBED CC#CCN1CCO[C@]2(CCN(C(=O)CS(C)(=O)=O)C2)C1 972285970 PGCGCNFIQWZCQC-CQSZACIVSA-N 314.407 -0.642 30 20 DBED C=CCN1CCO[C@@]2(CCN(C(=O)CN3CCOCC3)C2)C1 972343040 MYMVXCGWAQKJEL-INIZCTEOSA-N 309.410 -0.192 30 20 DBED C#Cc1cncc(C(=O)N[C@H]2C[C@@H](NC(=O)c3cnnn3C)C2)c1 974080364 CEWYCYBVPASCIF-BETUJISGSA-N 324.344 -0.118 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)C[C@@H]3CCN(C)C3=O)[C@H]2C1 976683598 KSDVSEFKRFUIKF-MOWSAHLDSA-N 318.377 -0.413 30 20 DBED C=CCN1CCCN(C(=O)c2c[nH]nc2S(N)(=O)=O)CC1 981927256 YPDSLEHEIHZBJT-UHFFFAOYSA-N 313.383 -0.609 30 20 DBED CN1CCOC[C@H]1C(=O)NC1CN(C(=O)c2cc(C#N)c[nH]2)C1 990921576 NYDBZRVYMRUIKD-ZDUSSCGKSA-N 317.349 -0.842 30 20 DBED C=CCn1cc(C(=O)N2CCC(N[C@H](C)C(N)=O)CC2)nn1 997072827 BVAMHQUZUFQENP-SNVBAGLBSA-N 306.370 -0.468 30 20 DBED C=C(C)CNC1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)CC1 997322167 BYDMILZYDHCTEK-GFCCVEGCSA-N 301.412 -0.165 30 20 DBED CN(C[C@H]1CCCN1C(=O)C#CC1CC1)C(=O)[C@@H]1CCNC1=O 1002484537 BJGKKPZBTOTKIN-ZIAGYGMSSA-N 317.389 -0.015 30 20 DBED COCCN1C[C@H](C(=O)N(C)C2CCN(CC#N)CC2)CC1=O 1005468956 JSZGPDJWRYDWDM-CYBMUJFWSA-N 322.409 -0.072 30 20 DBED C#Cc1cncc(C(=O)N2CC[C@H](NCc3nnn(C)n3)C2)c1 1019357113 VTRMXBYXJNTNGE-ZDUSSCGKSA-N 311.349 -0.409 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCN(C(=O)[C@H]3CCCNC3=O)C2)C1 1019367197 SBUYGDIHGHBYDJ-RYUDHWBXSA-N 318.377 -0.267 30 20 DBED C=CCN1CC[C@@H](N[C@H]2C[C@H](NC(=O)c3cnon3)C2)C1=O 1020783384 IEMCPIUJHUNSMW-GMTAPVOTSA-N 305.338 -0.293 30 20 DBED C=CCn1cc(C(=O)N[C@H]2C[C@@H](NCc3nnnn3C)C2)nn1 1022825252 XCPSEBRNVYXREA-AOOOYVTPSA-N 317.357 -0.962 30 20 DBED CN(CC#N)[C@H]1CCCN(C(=O)CN2CCCS2(=O)=O)C1 1027434537 SDSGSJQELJVMIW-LBPRGKRZSA-N 314.411 -0.532 30 20 DBED C=CCN(C)[C@@H]1CCCN(C(=O)c2cn(C)c(=O)n(C)c2=O)C1 1027600553 GYWQITIIPWWYSG-GFCCVEGCSA-N 320.393 -0.194 30 20 DBED C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)CN1C(=O)NC(=O)C1(C)C 1032716657 ZHFXNGNGQFTQDM-RYUDHWBXSA-N 318.377 -0.375 30 20 DBED C#CCN1CC[C@H](N(C)C(=O)C2(n3cnnn3)CCOCC2)C1 1033489278 GDWSQMBMAMICEM-ZDUSSCGKSA-N 318.381 -0.655 30 20 DBED C#CCN1CCC2(CCN(C(=O)CN3CC(=O)NC3=O)CC2)C1 1035239581 LMFOVRYYHMGUSO-UHFFFAOYSA-N 318.377 -0.514 30 20 DBED C=C(Cl)CN1CCO[C@H](CNC(=O)[C@H]2COC(=O)N2)C1 1035351971 JJSIZHNYUPQMQY-NXEZZACHSA-N 303.746 -0.336 30 20 DBED CC#CCN1CC2(CCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)CC2)C1 1035808236 SIOSUTAPRTZPBT-LBPRGKRZSA-N 318.377 -0.468 30 20 DBED C#CCN1CC2(CCN(C(=O)[C@@H]3CN(C(C)=O)CCO3)CC2)C1 1035844411 GWCWCRJWMRUGBP-HNNXBMFYSA-N 319.405 -0.209 30 20 DBED C[C@@H]1CN(C(=O)CCN2C(=O)CCC2=O)CC[C@@H]1NCC#N 1036107346 HKQYGYTXQFKTNZ-NEPJUHHUSA-N 306.366 -0.124 30 20 DBED C#CCOCCC(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2CCCO2)C1 1039719253 QPPJRBJEPILSMC-XJKSGUPXSA-N 324.377 -0.715 30 20 DBED C[C@H]1[C@@H](N=c2cc[nH]cc2C#N)CCN1C(=O)[C@@H]1COC(=O)N1 1040114404 YVNKBEAKRORXJI-GAFUQQFSSA-N 315.333 -0.115 30 20 DBED C[C@H]1[C@@H](N=c2cc[nH]c(C#N)n2)CCN1C(=O)c1cnn(C)n1 1040148846 QVSJTLWVGPVIHO-UWVGGRQHSA-N 312.337 -0.386 30 20 DBED C[C@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)CCn2ccnc2)C1 1040766889 TWMORWJHQZRWFY-IUODEOHRSA-N 319.365 -0.488 30 20 DBED CCc1n[nH]cc1C(=O)N1CC[C@@](O)(CNC(=O)[C@H](C)C#N)C1 1040768221 ANMQHAFCOFPZAN-MEBBXXQBSA-N 319.365 -0.175 30 20 DBED C#CCCCCC(=O)NCC1(O)CN(C(=O)c2cncnc2)C1 1042654805 AWJCKUZFVODSDY-UHFFFAOYSA-N 316.361 -0.027 30 20 DBED CC[C@H](C(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1)N(C)C 1042959035 UCJAWTHNHINWHO-CYBMUJFWSA-N 307.394 -0.571 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)C2(CC)CC2)C1 1043035898 GEVYRQBPKNGXSW-UHFFFAOYSA-N 308.378 -0.094 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)C[C@@](C)(O)C=C)C1 1043039552 HRSYZNRAMYRZPL-DOMZBBRYSA-N 324.377 -0.959 30 20 DBED C=C(C)CCC(=O)NCC1(O)CN(C(=O)[C@@H]2CN(C)C(=O)N2)C1 1043314452 FZOLFMVUFXGJLB-NSHDSACASA-N 324.381 -0.944 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)[C@H](C2CC2)N(C)C)C1 1043463048 NCXNGLSNHLQXPO-AWEZNQCLSA-N 309.410 -0.018 30 20 DBED C=CCCn1cc(C(=O)N(C)C2CN([C@H](C)C(N)=O)C2)nn1 1044028700 UMGFGRLWBQSLLR-SNVBAGLBSA-N 306.370 -0.516 30 20 DBED Cc1cc(C(=O)N2CC(O)(CNC(=O)[C@H](C)C#N)C2)nn1C 1045540732 LGDQEJXTIMNOPC-SECBINFHSA-N 305.338 -0.809 30 20 DBED C[C@@H](C(=O)N1CC(O)(CNC(=O)[C@H](C)C#N)C1)n1cccc1 1045540940 NFDAZNJQAWJSQI-NEPJUHHUSA-N 304.350 -0.102 30 20 DBED N#CCN1CC[C@H](N2CCN(C(=O)CCc3nc[nH]n3)CC2)C1 1046016609 DVAIOPXUWRZHDA-ZDUSSCGKSA-N 317.397 -0.521 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccn3nnnc3c2)C1 1047482586 DFUOWIRFZYLUBQ-RYUDHWBXSA-N 302.338 -0.573 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCc3nc[nH]c32)C1 1047525336 RUIJJGVVCXWHOZ-XBFCOCLRSA-N 302.378 -0.034 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)C(=O)N2CC[C@@H](C)C2)C1 1047592784 IEFDGKUKCRHTOB-RDBSUJKOSA-N 307.394 -0.618 30 20 DBED C=CCO[C@@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C(F)F)C1 1047978325 VWQRCUAVOJETLL-GUBZILKMSA-N 306.309 -0.127 30 20 DBED C#CCN1C[C@H]2CN(C(=O)c3c(C)c[nH]c3CC(N)=O)C[C@H]2C1 1049072421 BDVAWSBSPXQPNA-BETUJISGSA-N 314.389 -0.012 30 20 DBED CN(C)Cc1cc(C(=O)NC[C@@H]2COCCN2CC#N)no1 1050995869 ILLXLWJOBSUFPJ-LLVKDONJSA-N 307.354 -0.310 30 20 DBED C=CCCN1CCOC[C@H]1CNC(=O)c1nnc(O)nc1O 1051006101 JUZLBQRWLAAVGG-SECBINFHSA-N 309.326 -0.711 30 20 DBED CC(C)(C)n1nnc(C(=O)N2CCOC3(CN(CC#N)C3)C2)n1 1053263541 ODYWVXBRXJVGTC-UHFFFAOYSA-N 319.369 -0.522 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)C[C@H]1CCN(C)C1=O)CCO2 1053299637 SSRARZBYGYTKKF-CQSZACIVSA-N 319.405 -0.209 30 20 DBED CCN1CCOC[C@H]1C(=O)N1CCOC2(CN(CC#N)C2)C1 1053321478 JESUGVUDIHFKLM-ZDUSSCGKSA-N 308.382 -0.856 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)CCN1CCOCC1)CCO2 1053472069 JSCZPNRFOAOGON-UHFFFAOYSA-N 321.421 -0.355 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)c3ccnc(OC)n3)CO2)C1 1053867732 QUHJLAGZWUYLGX-NSHDSACASA-N 302.334 -0.309 30 20 DBED C#CCCCCC(=O)N[C@@]1(CO)CCCN(C(=O)CC(N)=O)C1 1055894394 BOJPPTRMHHATRD-INIZCTEOSA-N 323.393 -0.475 30 20 DBED Cc1cc(C(=O)N2CCC[C@](CO)(NC(=O)[C@H](C)C#N)C2)n[nH]1 1056095011 ZYTZYJXRWPOUEN-BMIGLBTASA-N 319.365 -0.039 30 20 DBED CN1CC[C@H](C(=O)N2CC[C@@H](N=c3cc[nH]c(C#N)n3)C2)C1=O 1056752586 BGFLOQWHNGLDPA-MNOVXSKESA-N 314.349 -0.739 30 20 DBED CO[C@H](C)CC(=O)N(CCO)CCNC(=O)CSCC#N 1057161171 MHXZQZPYDVGSLT-LLVKDONJSA-N 317.411 -0.395 30 20 DBED Cc1cn(C)nc1C(=O)N(CCO)CCNC(=O)C#CC(C)C 1057545635 IQEHIZRYYBDNTI-UHFFFAOYSA-N 320.393 -0.061 30 20 DBED C#CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)C#CC1CC1 1057583453 PZLZYRCCUZTITQ-ZDUSSCGKSA-N 306.362 -0.625 30 20 DBED C=CCC(C)(C)C(=O)N(CCO)CCNC(=O)Cn1cnnn1 1057598916 KRQUAXYGOFJHOA-UHFFFAOYSA-N 324.385 -0.788 30 20 DBED C=CCCCC(=O)N(CCO)CCNC(=O)C1(C(N)=O)CC1 1058624628 BZALCIPECXSIKA-UHFFFAOYSA-N 311.382 -0.455 30 20 DBED CCn1cc(C(=O)N(CCO)CCNC(=O)C#CC2CC2)nn1 1058666113 CXGMZWWMDWGRNF-UHFFFAOYSA-N 319.365 -0.738 30 20 DBED N#Cc1cncc(N[C@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)C2)n1 1059049404 NMXMWLOTIWKCHA-WPRPVWTQSA-N 301.310 -0.958 30 20 DBED COCCC(=O)NC[C@@H]1COCCN1C(=O)CSCC#N 1061160499 KFWNWZIPAKDEIO-LLVKDONJSA-N 315.395 -0.377 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H]1COCCN1C(=O)c1cnon1 1061587451 NNEQOPZNIGCONN-MNOVXSKESA-N 322.321 -0.935 30 20 DBED C=CC(C)(C)C(=O)NC[C@H]1COCCN1C(=O)Cn1ncnn1 1061752874 MGWRGKNMGLTDCO-NSHDSACASA-N 322.369 -0.771 30 20 DBED Cc1c(C(=O)N2CCOC[C@H]2CNC(=O)[C@H](C)C#N)cnn1C 1061845248 FXVYPWAAXSIOMR-ZYHUDNBSSA-N 319.365 -0.155 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)c1ccnnc1 1061852834 NHVDFQWXAXOFEL-CMPLNLGQSA-N 303.322 -0.407 30 20 DBED CC(C)(O)CC(=O)NC[C@H]1CN(C(=O)C#CC2CC2)CCO1 1065133904 AZFBOUQRLRSMFQ-ZDUSSCGKSA-N 308.378 -0.096 30 20 DBED Cc1nonc1CC(=O)N1CCO[C@H](CNC(=O)[C@@H](C)C#N)C1 1065563380 ADLPTFKMNJIUKT-GXSJLCMTSA-N 321.337 -0.576 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(C(=O)c2n[nH]cc2F)CCO1 1065584611 AUTIMYGRSLOILI-NSHDSACASA-N 320.324 -0.081 30 20 DBED C=C(C)CCC(=O)N1CCN([C@H]2CCN(C(=O)C(N)=O)C2)CC1 1065711742 QDMHYKUVLPTCBH-ZDUSSCGKSA-N 322.409 -0.427 30 20 DBED Cc1cc(C#N)nc(N2C[C@H]3[C@H](CNC(=O)c4nc[nH]n4)[C@H]3C2)n1 1068180661 NPLBYUDUBYMJJR-CNDDSTCGSA-N 324.348 -0.113 30 20 DBED C=CCCC(=O)N1CC2(C[C@@H](NC(=O)CNC(=O)NC)CO2)C1 1068897428 YFJHXKXQGAVAQP-LLVKDONJSA-N 324.381 -0.632 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1COC2(C1)CN(C(=O)CCCC(N)=O)C2 1069007519 GRKZLGDDRGHIFL-MNOVXSKESA-N 322.365 -0.712 30 20 DBED CN1C(=O)CC[C@@H]1C(=O)NCc1cnn2c1CN(CC#N)CC2 1069870864 XXSNXUBVBPVPQV-GFCCVEGCSA-N 316.365 -0.541 30 20 DBED C=C[C@@H](C)[C@@H](C)C(=O)NC1(CNC(=O)C(N)=O)CCOCC1 1070205057 DDSQVECCYCDXSY-GHMZBOCLSA-N 311.382 -0.289 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)CCN(C)C)CCOCC1 1070238934 MHORKIXVORXHSE-LBPRGKRZSA-N 310.398 -0.121 30 20 DBED N#CCN1Cc2cnn(C3CCN(C(=O)CC(N)=O)CC3)c2C1 1070344254 DNWFXTCVFHZYRP-UHFFFAOYSA-N 316.365 -0.239 30 20 DBED C=CCn1cc(C(=O)N2CCC[C@@H](NC(=O)COC)C2)nn1 1070752242 JBUMRNJKFARHGX-LLVKDONJSA-N 307.354 -0.169 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)c4cnn(CC)n4)C[C@@]3(C1)O2 1070794831 CPOXXEHGRMMJHY-XJKCOSOUSA-N 315.377 -0.154 30 20 DBED Cc1cc(C(=O)N2CCC(=O)NCCN(CC#N)CC2)no1 1070937452 QHLFHIJIEIOCEE-UHFFFAOYSA-N 305.338 -0.229 30 20 DBED C[C@@H]1CN(C)C[C@H]1C(=O)N1CCC(=O)NCCN(CC#N)CC1 1071000037 LBAMMHZFMQKOSQ-ZIAGYGMSSA-N 321.425 -0.642 30 20 DBED Cc1cnoc1C(=O)N1CCC(=O)NCCN(CC#N)CC1 1071011882 WSAABMHGEABJJM-UHFFFAOYSA-N 305.338 -0.229 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(C(=O)C(F)F)C[C@@H]1C 1071425080 CTBDJQBLQQSAJT-DTWKUNHWSA-N 301.293 -0.646 30 20 DBED C[C@@H]1CN(C(=O)CSCC#N)C[C@@H]1NC(=O)Cc1nc[nH]n1 1071661926 QGOSRNOGRRKLTF-ZJUUUORDSA-N 322.394 -0.433 30 20 DBED C=CCOCC(=O)N1C[C@H](C)[C@@H](NC(=O)c2cnn(C)n2)C1 1071808680 KHWXRIWZFAZCQO-JQWIXIFHSA-N 307.354 -0.406 30 20 DBED C=CCCC(=O)N[C@H]1CN(C(=O)CS(=O)(=O)NC)C[C@H]1C 1072144910 BNYMYRVZEMTKIG-MNOVXSKESA-N 317.411 -0.535 30 20 DBED N#CCN1CCCO[C@H](CNC(=O)c2ccoc2CC(N)=O)C1 1073743392 VAZYPSHGVUCFKA-LLVKDONJSA-N 320.349 -0.348 30 20 DBED CCn1cc(CC(=O)N2CC[C@H]3OCCN(CC#N)[C@@H]3C2)nn1 1074302021 KGACXUQLOOVWTA-ZIAGYGMSSA-N 318.381 -0.334 30 20 DBED CO[C@@H](C)C(=O)N1CCC(O)(CNC(=O)C#CC2CC2)CC1 1074500555 VAABHZKCNORUDF-LBPRGKRZSA-N 308.378 -0.096 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)Cc1ccon1 1076218716 BSOXEJHEKVABJW-NSHDSACASA-N 320.349 -0.632 30 20 DBED CC#CCN1C[C@@H]2CCN(C(=O)CC[C@H]3NC(=O)NC3=O)[C@@H]2C1 1076548888 MDEBPGHMRPNVNS-YNEHKIRRSA-N 318.377 -0.469 30 20 DBED C[C@@H](CCNC(=O)[C@@H]1CCCNC1=O)NC(=O)C#CC1CC1 1076974112 KREUZNWQPIRRGF-WCQYABFASA-N 305.378 -0.063 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCn3cc(C)nc3C2)C1 1077228884 DLDMCFUDNRCXQI-MGPQQGTHSA-N 302.378 -0.452 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)Cn2ncc3cc(C)cnc32)C1 1077398032 BLZDUCFGSDXBJR-ZIAGYGMSSA-N 313.361 -0.466 30 20 DBED N#CCN[C@H]1C[C@@H](NC(=O)Cn2c(O)nnc2O)C12CCC2 1078793984 DDAMWTSXHJDWCX-DTWKUNHWSA-N 306.326 -0.770 30 20 DBED CCN(C(=O)CC#Cc1ccccc1)C1CN(C(=O)C(N)=O)C1 1079872140 ZHWNFCHUCBFNIA-UHFFFAOYSA-N 313.357 -0.027 30 20 DBED CCN(C(=O)[C@H](C)NC(=O)COC)C1CN(C(=O)[C@H](C)C#N)C1 1079914074 WNRSAHSPVUGCFQ-MNOVXSKESA-N 324.381 -0.644 30 20 DBED C#CCOCCC(=O)N1CC(N(CC)C(=O)CNC(=O)NC)C1 1079920353 VSLNDGNSRYYJNQ-UHFFFAOYSA-N 324.381 -0.985 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC(CO)(NC(=O)C(F)F)CC1 1080658956 OHEOHNAKELRBEW-JTQLQIEISA-N 318.320 -0.241 30 20 DBED C#CCOc1ncccc1C(=O)N[C@@H]1CN(CC(N)=O)C[C@H]1C 1080805088 AAXLEAPVNKUSPH-DGCLKSJQSA-N 316.361 -0.371 30 20 DBED C=CCCC(=O)N1CCC(CO)(NC(=O)c2cn(C)nn2)CC1 1080843039 OIRLTCYDTGFGOG-UHFFFAOYSA-N 321.381 -0.135 30 20 DBED C#CCO[C@@H](C)C(=O)NC1(CO)CCN(C(=O)COC)CC1 1080861266 NAPGNYVSWGDJFT-LBPRGKRZSA-N 312.366 -0.859 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC(CN(CC)C(=O)C(N)=O)CC1 1081084630 ABYGRLBHNPIIKX-GFCCVEGCSA-N 323.393 -0.403 30 20 DBED N#CCSCC(=O)NC[C@@H]1CN(C(=O)CC2CC2)C[C@H]1O 1081286806 PPJDPPLUGVWALM-VXGBXAGGSA-N 311.407 -0.021 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)Cc2cnc[nH]2)C[C@H]1O 1081338880 XVNZLHIDWYRTKH-DGCLKSJQSA-N 306.366 -0.146 30 20 DBED CCOCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 1081373193 DSEIKWPIXTUYLE-WCQYABFASA-N 320.349 -0.528 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H]1CCCCN1C(=O)CNC(N)=O 1081870130 MLHAULHRKFZPRW-RYUDHWBXSA-N 324.381 -0.810 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)Cc1cncnc1 1083064386 HTKFNSUSUSRFPB-LSDHHAIUSA-N 300.362 -0.046 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CCN(C)C1=O 1083167993 ILQFRUXOUQATBB-HZSPNIEDSA-N 305.378 -0.600 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CCCCC(=O)N1 1083190309 HJTZKGLLRUGFDZ-QLFBSQMISA-N 319.405 -0.020 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2cnn(C)c2-n2cccc2)C1 1083686159 DRQLKIFKWYDKBZ-KGLIPLIRSA-N 313.361 -0.381 30 20 DBED CC(=O)NC1CCC(C(=O)N[C@@H]2CN(CC#N)C[C@@H]2O)CC1 1084121421 HQBADONGVVPEPF-PQAZSJQKSA-N 308.382 -0.634 30 20 DBED C#CCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CN(C(C)=O)CCO1 1085952612 HMRYTQGWTDBUQC-HUUCEWRRSA-N 307.394 -0.210 30 20 DBED CC#CCN1C[C@H]2CC[C@H]1[C@@H]1CN(C(=O)Cn3ncnn3)C[C@@H]21 1087359410 VTVRGYQYOFROHI-BARDWOONSA-N 314.393 -0.135 30 20 DBED C=CCn1cc(C(=O)N2C[C@H]3CCN(CCO)C[C@H]3C2)nn1 1088133767 ZQSWLXQOHNIZRR-OLZOCXBDSA-N 305.382 -0.150 30 20 DBED C[C@@H]1[C@@H](NC(=O)CN2CCCCS2(=O)=O)CCN1CC#N 1088750873 NHLHPEAHLJUGJD-NEPJUHHUSA-N 314.411 -0.485 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2cc(OCC)n[nH]2)[C@H](O)C1 1090354820 MAKHAIULPOYOMB-WCQYABFASA-N 306.366 -0.003 30 20 DBED C#CCCN1CC[C@@H](NC(=O)Cc2cc(C)nn2C)[C@H](O)C1 1090427432 KMNJFDWXEAUHGI-HUUCEWRRSA-N 304.394 -0.154 30 20 DBED Cn1nnc2ccc(C(=O)N[C@@H]3CCN(CC#N)C[C@@H]3O)cc21 1090759119 DDVLNUIGRJFMJP-OCCSQVGLSA-N 314.349 -0.343 30 20 DBED C#CCN1CC(n2cc(CNC(=O)c3n[nH]c(C)c3O)nn2)C1 1094284076 VZVHMBBSPUJGLZ-UHFFFAOYSA-N 315.337 -0.565 30 20 DBED Cc1ncoc1C(=O)N1CCN(CC#N)[C@H]2CS(=O)(=O)C[C@H]21 1094619936 OOJQZFIKCGNKHD-WDEREUQCSA-N 324.362 -0.570 30 20 DBED CCNC(=O)CC(=O)N1CC[C@@H](N(C)c2cncc(C#N)n2)C1 1095108993 MGRLZKRAEWBOJU-GFCCVEGCSA-N 316.365 -0.088 30 20 DBED CN(CCCNC(=O)[C@@H]1CCCNC1=O)c1ccnc(C#N)n1 1095665293 HPJFESCQEZOVPL-LLVKDONJSA-N 316.365 -0.183 30 20 DBED CC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 1096005519 CSSXAHOUYMHFML-IKOXMDCHSA-N 305.378 -0.236 30 20 DBED C[C@H](NC(N)=O)C(=O)NC[C@@H](Nc1nccnc1C#N)C1CC1 1096656001 LCJZXTPLATYFFR-GZMMTYOYSA-N 317.353 -0.288 30 20 DBED N#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1CCCS1(=O)=O 1097178106 RTVLJGSVWRQVLB-UTUOFQBUSA-N 312.395 -0.733 30 20 DBED CN(C)CCOCC(=O)N[C@H]1C[C@@H](Nc2cnc(C#N)cn2)C1 1097198445 LUYDCRVPCAXIRH-TXEJJXNPSA-N 318.381 -0.014 30 20 DBED CS(=O)(=O)CCC(=O)N[C@H]1C[C@@H](Nc2cnc(C#N)cn2)C1 1097265134 UJVLXSNYJORZGO-AOOOYVTPSA-N 323.378 -0.158 30 20 DBED C[C@@H](CNC(=O)C[C@@H](C)NC(N)=O)N=c1cc[nH]c(C#N)n1 1098076886 ZWDRATFOLZTJRH-BDAKNGLRSA-N 305.342 -0.866 30 20 DBED C[C@H](CNC(=O)c1ccc2nn[nH]c2n1)N=c1cc[nH]c(C#N)n1 1098341940 IQFZMGVHOXFYJR-MRVPVSSYSA-N 323.320 -0.333 30 20 DBED C[C@@H](CNC(=O)c1nnc(O)nc1O)Nc1ccc(C#N)cn1 1098435602 PBIFEZWFZZHNRM-ZETCQYMHSA-N 315.293 -0.220 30 20 DBED C#CCCN1CCC2(CC1)CN(C(=O)CC(N)=O)C[C@@H](C)O2 1098578506 WITMDCXGUQGZBN-CYBMUJFWSA-N 307.394 -0.033 30 20 DBED CC#CCNCc1cn([C@@H]2CCN(C(=O)CNC(C)=O)C2)nn1 1098600870 HPIFAYITTNIXQE-CQSZACIVSA-N 318.381 -0.700 30 20 DBED O=C(C#CC1CC1)N1CC[C@H](n2cc(CNCCCO)nn2)C1 1098672679 IUKWBHSYJQSPGN-HNNXBMFYSA-N 317.393 -0.063 30 20 DBED CNC(=O)CC(=O)N1CCC[C@@H](N(C)c2cncc(C#N)n2)C1 1098683605 FNYTZYHAELPLIY-GFCCVEGCSA-N 316.365 -0.088 30 20 DBED C=CCCOCC(=O)N1CC[C@H](n2cc(CNCCO)nn2)C1 1098789986 MDKDVIAKKZFEBG-AWEZNQCLSA-N 323.397 -0.274 30 20 DBED C#CCOCCC(=O)N1C[C@H]2CC[C@H]1[C@H]1CN(CC(N)=O)C[C@H]21 1099480225 CEQHOACPGHFDGI-KBXIAJHMSA-N 319.405 -0.320 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(Cc2cnn(CC)n2)C[C@H]1O 1099740297 ASAFHXQOTADGRJ-ZIAGYGMSSA-N 323.397 -0.448 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)C/C=C(/C)C=C)[C@@H](O)C1 1099954780 OXAJHVPQEHGNJZ-AZNSZHPSSA-N 319.405 -0.190 30 20 DBED C#CCN1CC[C@H](NC(=O)CCc2ccc(O)nc2)[C@H](O)C1 1099970542 YVESTTAJKRVHGF-UONOGXRCSA-N 303.362 -0.096 30 20 DBED C#CCN1CC[C@@H](NC(=O)COC2CCN(C)CC2)[C@H](O)C1 1100056062 NTTCYDIYQTVQLQ-HUUCEWRRSA-N 309.410 -0.718 30 20 DBED C#CCN1CC[C@@H](NC(=O)CCCCCNC(C)=O)[C@@H](O)C1 1100101047 GBGJTNVBAUKNOA-CABCVRRESA-N 309.410 -0.133 30 20 DBED CN(CCNC(=O)c1c[nH]c(C(N)=O)c1)c1nccnc1C#N 1100116623 ICUZWDDQMJXSPF-UHFFFAOYSA-N 313.321 -0.359 30 20 DBED Cn1cc(CC(=O)NCC2CC(NCC(=O)NCC#N)C2)cn1 1100175921 VGIFPMUXXHCFOW-UHFFFAOYSA-N 318.381 -0.913 30 20 DBED CN(CCNC(=O)[C@H]1CCCC(=O)N1)c1cncc(C#N)n1 1100190743 GYFFMLGAXNGYOJ-LLVKDONJSA-N 302.338 -0.431 30 20 DBED CCN(CCNC(=O)[C@H](C)NC(C)=O)c1nccnc1C#N 1100434279 DUHXFUYUBZHGIM-JTQLQIEISA-N 304.354 -0.185 30 20 DBED CCN(CCNC(=O)[C@H]1CCC(=O)N1)c1nc(C)cc(C#N)n1 1100467363 UMOWBGLBPWELQA-GFCCVEGCSA-N 316.365 -0.122 30 20 DBED N#CCNC(=O)CNC1CC(CNC(=O)c2csnn2)C1 1100541698 WLMYGIPDNNTGEE-UHFFFAOYSA-N 308.367 -0.724 30 20 DBED N#Cc1ccc(N2CCC[C@H]2CNC(=O)C2(C(N)=O)CC2)nn1 1100902112 DEPWKDPFJIAEHA-NSHDSACASA-N 314.349 -0.301 30 20 DBED CC(=O)NCC(=O)NC[C@@H]1CCN(c2ccnc(C#N)n2)C1 1100925997 KTWPIYBQWJNCIR-NSHDSACASA-N 302.338 -0.573 30 20 DBED CS(=O)(=O)CC(=O)NC[C@@H]1CCN(c2ccnc(C#N)n2)C1 1100961757 OXAYFYBMDSETAM-JTQLQIEISA-N 323.378 -0.665 30 20 DBED C[C@@H](CNC(=O)Cn1cnnn1)CNc1nccnc1C#N 1103851055 BXKCITJNFRIKET-VIFPVBQESA-N 301.314 -0.801 30 20 DBED C[C@H](CNC(=O)Cn1cnnc1O)CNc1cncc(C#N)n1 1103958620 VLGRZHPPZQQONI-VIFPVBQESA-N 316.325 -0.490 30 20 DBED C[C@@H](CNc1cncc(C#N)n1)N(C)C(=O)[C@@H]1CNC(=O)N1 1104784338 DZSHHWWCSBXNET-WPRPVWTQSA-N 303.326 -0.712 30 20 DBED C#CCNCc1cn(C2CN(C(=O)[C@@H](C(C)C)N(C)C)C2)nn1 1105320824 LCHVYQFTYVANMV-OAHLLOKOSA-N 318.425 -0.030 30 20 DBED C#CCNC(=O)CC(=O)N(C)CCN(C)c1cnc(F)cn1 1105368573 PLRICEIBIFRRNX-UHFFFAOYSA-N 307.329 -0.350 30 20 DBED C=C(C)CN1CC(OC2CCN(C(=O)CNC(N)=O)CC2)C1 1105686010 LYZIGITVMUWAPH-UHFFFAOYSA-N 310.398 -0.077 30 20 DBED Cc1cc(C(=O)NC[C@@H](O)CN=c2cc[nH]cc2C#N)nn1C 1105733096 HXPIQTYNDWQINK-LBPRGKRZSA-N 314.349 -0.380 30 20 DBED CNC(=O)CCCC(=O)NC[C@H](O)CNc1ncccc1C#N 1105794518 GVVCYGLIQUVCBR-LBPRGKRZSA-N 319.365 -0.241 30 20 DBED C=CCCOCC(=O)NC[C@H](O)CNc1cncc(C#N)n1 1105892434 XHLQSDKAMWBWTL-GFCCVEGCSA-N 305.338 -0.170 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)c2cncnc2)C[C@H]1C 1106036461 DEXWNFLLSIVISC-TZMCWYRMSA-N 315.377 -0.476 30 20 DBED CCC(=O)N[C@H](C)C(=O)NC[C@H](O)CNc1nccnc1C#N 1106141190 YLLKZMQUIIZGTE-NXEZZACHSA-N 320.353 -0.848 30 20 DBED N#Cc1cccnc1NC[C@H](O)CNC(=O)[C@H]1CCC(=O)NC1 1106170442 SEJFPORJKFGWBU-RYUDHWBXSA-N 317.349 -0.632 30 20 DBED C[C@H](CCNc1ncccc1C#N)NC(=O)[C@@H]1CNC(=O)N1 1106544335 ZKXRTFWWUKIRCT-KOLCDFICSA-N 302.338 -0.059 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)COCCOC 1106707603 MMRGJZNNINMGEI-UHFFFAOYSA-N 307.354 -0.306 30 20 DBED C=CCNC(=O)CN1CC(n2cc(CNC(=O)C3CC3)nn2)C1 1107106548 DMLACJCCPIWCNS-UHFFFAOYSA-N 318.381 -0.537 30 20 DBED C=CCN1CC(n2cc(CNC(=O)COCCOC)nn2)C1 1107149623 LHZVNUFVZZHXGB-UHFFFAOYSA-N 309.370 -0.400 30 20 DBED C[C@H](CNc1cnc(C#N)cn1)NC(=O)CN1C(=O)CCC1=O 1107752809 JAJAYLNOUHIYQL-SECBINFHSA-N 316.321 -0.586 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CC(=O)N(C2CN(CC#C)C2)C1 1108546565 YFYZSKIRQHCDQO-CHWSQXEVSA-N 303.362 -0.941 30 20 DBED C#CCCN1CC(N2C[C@@H](NC(=O)[C@@H](COC)OC)CC2=O)C1 1108569460 JBSIFUZDXSFVSB-GXTWGEPZSA-N 323.393 -0.928 30 20 DBED Cc1nc(CC(=O)N[C@H](C)CN(C)c2ccnc(C#N)n2)n[nH]1 1108954525 AAJAQZVWWSKPCO-SECBINFHSA-N 314.353 -0.042 30 20 DBED C[C@H](CN(C)c1ccc(C#N)nn1)NC(=O)[C@@H]1CCC(=O)N1C 1109179955 XJBQFURZXDDEIM-PWSUYJOCSA-N 316.365 -0.090 30 20 DBED C[C@@]1(C(=O)NCC2(Nc3cncc(C#N)n3)CC2)CNC(=O)C1 1110287547 HLIXUKIKXDINQB-AWEZNQCLSA-N 314.349 -0.065 30 20 DBED COCCC(=O)NC[C@@]1(O)CCN(c2cnc(C#N)cn2)C1 1111016164 ZGPZRVUAISSCLR-AWEZNQCLSA-N 305.338 -0.558 30 20 DBED CC(=O)NCC(=O)N1C[C@@H](C)[C@@H](CNc2cnc(C#N)cn2)C1 1111232255 DMYZHHBWJDEVNX-PWSUYJOCSA-N 316.365 -0.009 30 20 DBED C=CCNC(=O)NC(=O)CN1C[C@@H]2CCC[C@]2(NC(C)=O)C1 1111556485 IUIKLEIEFROIID-WFASDCNBSA-N 308.382 -0.011 30 20 DBED CCn1ccc(CC(=O)N2CCN(CC(=O)NCC#N)CC2)n1 1112865974 JNEJXGLRMLLFON-UHFFFAOYSA-N 318.381 -0.771 30 20 DBED C[C@H](N=c1cc[nH]c(C#N)n1)[C@H](C)NC(=O)c1cn(C)nn1 1113002265 UJRQEDPRSGHXCG-IUCAKERBSA-N 300.326 -0.482 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)[C@@H]2CCC(=O)N2C)CC1 1113207282 LHEJOOZWAPFXBC-OLZOCXBDSA-N 322.409 -0.558 30 20 DBED C=C(C)CCN1CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)CC1 1113405862 GOFKALQKYVURLN-ZDUSSCGKSA-N 310.398 -0.523 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)c2cccnn2)CC1 1113450506 RGMWUEBJPKLERN-GFCCVEGCSA-N 303.366 -0.075 30 20 DBED C[C@@H](CNC(=O)[C@H]1COCCO1)N(C)c1ccnc(C#N)n1 1113501973 REWXKNKYXZDKKZ-WDEREUQCSA-N 305.338 -0.295 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)[C@@H]3CCCOC3)[C@@H]2C1 1114028248 PUXWSGLYNNAUQY-JHJVBQTASA-N 307.394 -0.238 30 20 DBED C#CCCCC(=O)NC1[C@@H]2CN(CCOCCNC(C)=O)C[C@@H]12 1114198299 ADBUOMMPBOFRRC-HUUCEWRRSA-N 321.421 -0.011 30 20 DBED C#CCOCCC(=O)NC1[C@H]2CN(CC(=O)N(CC)CC)C[C@H]12 1114265993 KQFSVYXJGQOWKQ-KBPBESRZSA-N 321.421 -0.059 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)c3cc[nH]c3)[C@@H]2C1 1114311220 JRJLLAUSTRNRKC-CYZMBNFOSA-N 300.362 -0.187 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)c3cc(F)c[nH]3)[C@@H]2C1 1114581252 CBJUNZQQUNYUDH-MVWJERBFSA-N 318.352 -0.048 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@@]3(F)CCOC3)[C@H]2C1 1114730485 BVXDDPKYFKBVEC-REJLFOLJSA-N 311.357 -0.536 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)c3oncc3C)[C@@H]2C1 1115063114 HXIONBQNCOYURZ-GHMZBOCLSA-N 302.334 -0.608 30 20 DBED C=CCCn1cc(C(=O)OCCCNS(C)(=O)=O)nn1 1118094966 JFGQQDZDHQAPSP-UHFFFAOYSA-N 302.356 -0.050 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)N2CC[C@@H](n3cccn3)C2)C1 1118187559 ABQJMLSKXIPGJH-DOMZBBRYSA-N 317.349 -0.466 30 20 DBED CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N2CC[C@](O)(CC#N)C2)C1 1118189357 OOGOJBGODGXCSD-CZUORRHYSA-N 322.409 -0.195 30 20 DBED CCCC(=O)NCC(=O)NC[C@@H](CO)N=c1cc[nH]cc1C#N 1121157813 JEKBSQYLDRHAJS-LBPRGKRZSA-N 319.365 -0.820 30 20 DBED CO[C@H](C)CCC(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1 1121473405 XTTQHFPJURVHSQ-GHMZBOCLSA-N 307.354 -0.526 30 20 DBED CC[C@@H](C(=O)NC[C@H](CO)Nc1nc(C)cc(C#N)n1)N(C)C 1121812869 QTDCHLDHZSZFKU-OLZOCXBDSA-N 320.397 -0.114 30 20 DBED CN1CCCC[C@@H]1C(=O)NC[C@@H](CO)Nc1cncc(C#N)n1 1122860678 JZBVZDGGXZCDKY-QWHCGFSZSA-N 318.381 -0.278 30 20 DBED C#CCN1CCC(OC(=O)c2cn(C)c(=O)n(C)c2=O)CC1 1123348863 JHDUJVKDDGHWER-UHFFFAOYSA-N 305.334 -0.662 30 20 DBED CN(C[C@@H](O)CN(C)c1ccc(C#N)nn1)C(=O)c1ccon1 1124981439 GHRZETWVOFQUBZ-NSHDSACASA-N 316.321 -0.094 30 20 DBED C#CCO[C@H](C)C(=O)NCCN[C@H](C)c1nnnn1C1CC1 1127046609 TUKQNSORHYLGAR-GHMZBOCLSA-N 306.370 -0.187 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)[C@H]2CC(=O)N(CC)C2)C1=O 1128649192 CHWVPCACCPFFRR-QWHCGFSZSA-N 322.409 -0.653 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCNCC(=O)N[C@H](C)C1CC1 1129790901 NEFQNVJGJYABPD-HIFRSBDPSA-N 320.437 -0.296 30 20 DBED C#CCCN[C@@H]1CN(C(=O)Cc2nc[nH]n2)C[C@@H]1n1ccnn1 1130083905 PIOVBAIATZSMQB-NEPJUHHUSA-N 314.353 -0.996 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cc(C(F)F)ncn1 1130232592 WJOGJMFLPXMLTF-UHFFFAOYSA-N 311.292 -0.517 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)CC(=O)N(C)C)C[C@@]3(C1)O2 1131273567 JHADKSCDJUSGKX-WOSRLPQWSA-N 305.378 -0.600 30 20 DBED C[C@@H]1CN(C(=O)CSCC#N)C[C@]2(CCN(CCO)C2)O1 1131638468 MVODWHRCYXVGTH-TZMCWYRMSA-N 313.423 -0.073 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@@H](OCC)[C@H]1CCOC1 1131885157 SSLNVHAWPSOBRG-JSGCOSHPSA-N 313.398 -0.564 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)CCOCC#C)CC[C@H]1C 1132029745 PETYHZODNDSLSI-CABCVRRESA-N 319.405 -0.255 30 20 DBED C[C@H]1CC[C@@H](NC(=O)CCCN(C)C)CN1CC(=O)NCC#N 1132264714 ASTGXRRSIIFDGR-UONOGXRCSA-N 323.441 -0.063 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)c1cn(C)nc1OC 1132278688 ZFPCUMRFGGJHQU-SNVBAGLBSA-N 309.370 -0.561 30 20 DBED C[C@@H]1CC[C@H](NC(=O)CCS(=O)(=O)N(C)C)CN1CC#N 1132505339 RCWLRVSFCAUTHT-NEPJUHHUSA-N 316.427 -0.239 30 20 DBED C[C@H](C[C@@H](C)NC(=O)Cn1cccn1)NCC(=O)NCC#N 1133674636 GRKVCEIVLBKFAM-VXGBXAGGSA-N 306.370 -0.604 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)C[C@H](C)NCC(=O)N1CCC1 1134130261 FJFVKEVXALGWLS-STQMWFEESA-N 322.409 -0.769 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)COc2cccnc2)C1=O 1135344420 RBLAAADTELKRDQ-CQSZACIVSA-N 318.377 -0.047 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)C(=O)N1CCC[C@@H]1CC 1147022843 SSPSBIMMSWWTSU-OLZOCXBDSA-N 322.409 -0.769 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)[C@H]2CCCC(=O)N2C)C1=O 1149463690 GBMXJIMJHIMXKB-QWHCGFSZSA-N 322.409 -0.510 30 20 DBED N#CCNC(=O)CNCCNC(=O)CCOCc1ccccc1 1151435685 IJVOLKRZYMTTCD-UHFFFAOYSA-N 318.377 -0.061 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CC12CCOCC2 1153865576 KBRMJYUZTLCWND-OLZOCXBDSA-N 307.394 -0.353 30 20 DBED C[C@@H](C#N)C(=O)NCCCNCC(=O)NCc1cccnc1 1155828473 OCQDZNGPBJARQM-LBPRGKRZSA-N 303.366 -0.047 30 20 DBED C=C[C@](C)(O)CC(=O)NCCCNCC(=O)N1CCOCC1 1157189015 FIMSMTQNTDZKML-HNNXBMFYSA-N 313.398 -0.732 30 20 DBED C=C(C)CCNCCCNC(=O)CN(C)S(=O)(=O)N(C)C 1157911843 CTGFKMQRUMPRBE-UHFFFAOYSA-N 320.459 -0.213 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1ccnn1C(C)C 1158864109 NVBWNSPOOWQVEV-UHFFFAOYSA-N 305.382 -0.077 30 20 DBED CCCn1nccc1C(=O)NCCCNCC(=O)NCC#N 1158960629 NNRRKEIXHDJVEB-UHFFFAOYSA-N 306.370 -0.358 30 20 DBED N#Cc1ccc(CNCCCNC(=O)[C@@H]2CNC(=O)N2)c(F)c1 1165466283 GYVDVQWJXWRGDL-ZDUSSCGKSA-N 319.340 -0.025 30 20 DBED Cn1cnnc1COCC(=O)NCCC1(CNCC#N)CC1 1167570387 ZIVMVGHIKGKALX-UHFFFAOYSA-N 306.370 -0.269 30 20 DBED N#CCNC(=O)CNCCCNC(=O)CC[C@H]1CCCOC1 1169613088 WQECUKVCJPDSOX-CYBMUJFWSA-N 310.398 -0.071 30 20 DBED CC#CCN1CCO[C@H]2CCN(C(=O)CN(C)C(C)=O)C[C@H]21 1176929625 JPCAIRCLZQIIID-CABCVRRESA-N 307.394 -0.210 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1cc(CC)n(C)n1 1177498237 OEVGFOJNFYUXJL-UHFFFAOYSA-N 305.382 -0.559 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCCCCCNCC(N)=O 1178722802 OQEAKAUSORPRCG-AWEZNQCLSA-N 308.426 -0.165 30 20 DBED N#CCNC(=O)CNCCCCCCNC(=O)[C@@H]1CCNC1=O 1179230374 LLBPEEKOOODQRL-LBPRGKRZSA-N 323.397 -0.972 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](NCC(=O)Nc2cnccn2)C1 1181651694 FHYRGHLHTPTDCA-GHMZBOCLSA-N 302.338 -0.235 30 20 DBED C[C@@H]1CN(C(=O)CN2CCN(C)C(=O)C2)C[C@@]1(C)CNCC#N 1181951716 FXCTYIYBLJDXHN-CZUORRHYSA-N 321.425 -0.642 30 20 DBED C=CCN[C@@H]1CCN(C(=O)CN(C)S(=O)(=O)N(C)C)C1 1182529639 FUMHIABKTPCHSO-LLVKDONJSA-N 304.416 -0.899 30 20 DBED C#CCNC[C@@H]1CCN(C(=O)CCNC(=O)COC)C[C@H]1C 1184524645 SQHRSOZBXYRINW-KGLIPLIRSA-N 309.410 -0.154 30 20 DBED CC#CCNC[C@@H]1CCN(C(=O)CN2CCOCC2=O)C[C@H]1C 1184578710 WHIICVVQTGZPOD-CABCVRRESA-N 321.421 -0.057 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)CCCn2cccn2)C1 1187933560 SFPSEDDPPKELAH-CQSZACIVSA-N 317.393 -0.397 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@@H]1CCN(C(=O)Cc2ccon2)C1 1189489286 IBPXNJBSFBKRDG-GXTWGEPZSA-N 318.377 -0.112 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2ocnc2C)C1 1189537710 MZWRNHGHTKGZGI-LBPRGKRZSA-N 304.350 -0.121 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC[C@@H](N(C)CC(=O)NC(N)=O)C1 1189919258 ZYVFEERQLWGGEG-YGRLFVJLSA-N 312.370 -0.959 30 20 DBED COCC#CCN(C)[C@@H]1CCN(C(=O)CCS(C)(=O)=O)C1 1190981290 LMPYNHPHFUEQMM-CYBMUJFWSA-N 316.423 -0.396 30 20 DBED Cc1cc(CN2C[C@@H](O)[C@H](NC(=O)CSCC#N)C2)no1 1191156159 GIIUFDSHEUWCFP-VXGBXAGGSA-N 310.379 -0.099 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CN(Cc2ccn(C)c(=O)c2)C[C@H]1O 1191853186 CFWDRZFATRMZCQ-CYZMBNFOSA-N 304.350 -0.794 30 20 DBED Cc1ncnc(O)c1CCC(=O)N[C@@H]1CN(CC#N)C[C@H]1O 1194399610 MBLTWBQEYHAUAB-VXGBXAGGSA-N 305.338 -0.892 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2cnn(CCOCC)c2)C1 1197274685 WMPDIYKLHYCHJS-ZIAGYGMSSA-N 306.366 -0.672 30 20 DBED C=CCCC(=O)N1CCCO[C@H](CN[C@H]2CCC(=O)NC2=O)C1 1200083148 AXESKLSTOJRDKE-OLZOCXBDSA-N 323.393 -0.035 30 20 DBED C=CCNC(=O)CNC[C@@H]1CN(C(=O)c2cnco2)CCCO1 1201096652 JFSSECDCDHDGCD-GFCCVEGCSA-N 322.365 -0.203 30 20 DBED C#CCNC(=O)CN[C@@H]1C[C@H](NC(=O)c2cnn[nH]2)C12CCC2 1203116205 YGGGMYAOAFIOOQ-NEPJUHHUSA-N 316.365 -0.815 30 20 DBED C#CCN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)CCNS(C)(=O)=O)C2 1204409702 ZPLWNIOZFXZRHX-JHJVBQTASA-N 313.423 -0.472 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)CN(C)C(C)=O)CC1 1204572534 BXUMPMUQHNHFQU-UHFFFAOYSA-N 322.409 -0.958 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCN(C(=O)c2ccncc2)C1 1207062683 DZRMNSLSYMORSR-CYBMUJFWSA-N 301.350 -0.084 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)c2cnccn2)C1 1207107878 JLVCTCUJERDHLL-GFCCVEGCSA-N 303.366 -0.027 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2oncc2C)[C@H](C)C1 1209977649 NUNWCGJIISHVOO-VXGBXAGGSA-N 304.350 -0.217 30 20 DBED CO[C@@H]1CN(CCN2CCNC2=O)C[C@H]1NC(=O)C#CC(C)C 1212240982 HCXKJLVZJWYXQZ-ZIAGYGMSSA-N 322.409 -0.514 30 20 DBED C#CCCN1C[C@@H](NC(=O)CCCn2ccnn2)[C@H](OC)C1 1212399162 DUJBAXZWHJWZCZ-ZIAGYGMSSA-N 305.382 -0.103 30 20 DBED CC#CCN[C@@H]1CN(C(=O)CN(C)CC(=O)NC(C)C)C[C@H]1C 1215060553 MMUWQCCTDSPDMS-HUUCEWRRSA-N 322.453 -0.097 30 20 DBED C=CCOCC(=O)N1CCO[C@@H]2CN(CC(=O)N3CCC3)C[C@@H]21 1217549913 LUWMZXXSYXBOLS-UONOGXRCSA-N 323.393 -0.667 30 20 DBED C=CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CCNC(=O)NC 1217814831 KQNHEISBSFUITN-QWHCGFSZSA-N 310.398 -0.207 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)COCc2ccnc(O)c2)C1 1219876161 XKGXSQINQMVOQG-OLZOCXBDSA-N 305.334 -0.902 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)[C@@H]3CCCOC3)[C@@H]2C1 1221426974 QEXSWACVPRGYCO-RBSFLKMASA-N 319.405 -0.305 30 20 DBED COC[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCC#N 1225335137 FNLAUFAGTAGCMF-YNEHKIRRSA-N 310.398 -0.074 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC(NC(=O)c2csnn2)CC1 1228492276 AUIZKTKIJPSIDG-SNVBAGLBSA-N 321.406 -0.130 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)c2csc(O)n2)CC1 1228716943 BEVLVIKWIAWKNR-UHFFFAOYSA-N 322.390 -0.208 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1ccncn1 1229215036 UPOSAZUPLPJMLC-VXGBXAGGSA-N 316.365 -0.253 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)Cc2cnc[nH]2)CC1 1229355583 GDQGJPIZPYFIBC-UHFFFAOYSA-N 303.366 -0.718 30 20 DBED CC(C)(C)OC(=O)CCNC(=O)C(=O)N1CCO[C@H](C#N)C1 1259061153 VTKQQQZZQABZPC-SNVBAGLBSA-N 311.338 -0.415 30 20 DBED NC(=O)NCCC(=O)N[C@@H]1CC[C@H](CNC(=O)C#CC2CC2)C1 1290130745 AXNUJAUIXYNRPZ-QWHCGFSZSA-N 320.393 -0.141 30 20 DBED C#CCN(CC1CC1)C(=O)CNS(=O)(=O)c1cnn(C)c1 1319671646 MIGBUVMAQFRARN-UHFFFAOYSA-N 310.379 -0.430 30 20 DBED CC[C@H](C)NC(=O)CCNC(=O)C(=O)N1CC[C@](F)(C#N)C1 1323453418 CRFYYOOIWIIZNK-HZMBPMFUSA-N 312.345 -0.128 30 20 DBED C=C(C)COCCNC(=O)C(=O)NCCNC(=O)c1ccco1 1323567373 IFYVPFIRMUDLKZ-UHFFFAOYSA-N 323.349 -0.166 30 20 DBED C=CCN(CC=C)C(=O)C(=O)N1CCO[C@H](CC(=O)OC)C1 1324772076 JXCQOLAJGCQQOE-GFCCVEGCSA-N 310.350 -0.023 30 20 DBED Cc1cnccc1CNC(=O)C(=O)N1CC[C@](O)(CC#N)C1 1326410386 REOCWDUTUJIWAV-OAHLLOKOSA-N 302.334 -0.117 30 20 DBED O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CC(O)(C2CC2)C1 1326725219 RDXUFAGYGALONF-SEYXRHQNSA-N 320.349 -0.321 30 20 DBED CC#CC[C@@H](CO)NC(=O)C(=O)Nc1cnn(CCN(C)C)c1 1326753481 SXBSNOOKWVYMTO-LBPRGKRZSA-N 321.381 -0.726 30 20 DBED C=CCn1cc(C(=O)N[C@@H](CC(N)=O)C2CCOCC2)nn1 1328537470 KXEGNOWDCUTYOU-NSHDSACASA-N 307.354 -0.136 30 20 DBED CCCN1CC[C@H](NC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)C1 1328583148 IHDWXOHSENNJKZ-WFASDCNBSA-N 308.382 -0.536 30 20 DBED CN1CC[C@]2(CCN(C(=O)C(=O)N3CC[C@](O)(CC#N)C3)C2)C1 1329465988 NLVRJMIETGFYCF-JKSUJKDBSA-N 320.393 -0.582 30 20 DBED O=S1(=O)N/C(=N/CCCn2cc(CO)nn2)c2ccccc21 1330034514 HXRHYPKPRQYTMO-UHFFFAOYSA-N 321.362 -0.101 30 20 DBED C=CCOCCNC(=O)C(=O)N1CC[C@@H]2NC(=O)CC[C@H]2C1 1330776565 ANUQWZYPDURLRC-RYUDHWBXSA-N 309.366 -0.568 30 20 DBED C=CCC1(O)CCN(C(=O)C(=O)NC[C@H]2COCCN2)CC1 1331205775 XKHYGYSFCTWLTI-LBPRGKRZSA-N 311.382 -0.979 30 20 DBED C#CCNC(=O)C1CCN(C(=O)NCc2cnnn2CC)CC1 1331533678 PTPVHJWSWAWHAY-UHFFFAOYSA-N 318.381 -0.031 30 20 DBED CC#CCn1nnnc1N1CCN(c2cnn(C)c2)C(=O)C1 1334918434 AOJZPHBPTYPBFB-UHFFFAOYSA-N 300.326 -0.717 30 20 DBED C=CCn1c(N2CCO[C@H](C#N)C2)nnc1[C@@]1(O)CCOC1 1339125393 UZSLQFZJRJLQNB-BXUZGUMPSA-N 305.338 -0.199 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)NC2CCN(C3CC3)CC2)CCO1 1340309682 WESPWTCOPYUVQP-ZDUSSCGKSA-N 306.366 -0.520 30 20 DBED CC(C)(C)N1C[C@H](NC(=O)C(=O)N2CC[C@](F)(C#N)C2)CC1=O 1343022259 LHEGDXHCWDKAIB-BMIGLBTASA-N 324.356 -0.034 30 20 DBED Cc1ccnn1CC(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1 1343501563 QMEZSEZHYYBSCX-LLVKDONJSA-N 324.362 -0.843 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N1CCC[C@H]1C(=O)NC1CC1 1347038780 KIPSWDKOYHPRTR-JQWIXIFHSA-N 309.366 -0.427 30 20 DBED C=CCOCCNC(=O)C(=O)N1CC[C@H](N2CCOC2=O)C1 1350593977 NOAZFDNPGSRMPZ-NSHDSACASA-N 311.338 -0.642 30 20 DBED CC1CC(C#N)(C(=O)NCCc2nnc3n2CCNC3=O)C1 1363398952 DBQKRKYPGYBLOQ-UHFFFAOYSA-N 302.338 -0.380 30 20 DBED Cc1noc([C@@H]2CCCN2c2[nH]c(=O)n(C)c(=O)c2C#N)n1 1364171311 LCPLLMXSAYOCNL-VIFPVBQESA-N 302.294 -0.022 30 20 DBED COCCN(CCC#N)S(=O)(=O)NCCc1nc[nH]n1 1365721256 XONUBJGRQBGOAN-UHFFFAOYSA-N 302.360 -0.956 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)CCc1nccn1C 1376678324 YVLJVOSDCAVYQI-WDEREUQCSA-N 307.354 -0.894 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@@H](CNC(=O)CN2CCOCC2=O)C1 1384506405 VOSXYEQVRCANAX-SDDRHHMPSA-N 322.365 -0.984 30 20 DBED C[C@H](C#N)C(=O)NC1CN(C(=O)[C@@H]2CCCS(=O)(=O)C2)C1 1389402339 LBDMVZXVJYLLSW-NXEZZACHSA-N 313.379 -0.702 30 20 DBED C[C@@H](CNC(=O)CCCS(C)(=O)=O)NC(=O)[C@@H](C)C#N 1393039457 AVJLHPLEKBPZAQ-UWVGGRQHSA-N 303.384 -0.408 30 20 DBED Cn1cc(S(=O)(=O)N2CCC[C@@](C)(C#N)C2)c(O)nc1=O 1413324830 VIWCJRLLBNFKAS-LBPRGKRZSA-N 312.351 -0.200 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CC[C@H]2OCC(=O)N[C@@H]2C1 1413367002 RVNFQVHAPJTJKO-GHMZBOCLSA-N 316.383 -0.944 30 20 DBED N#CCc1cccc(S(=O)(=O)N2C[C@@H](CO)[C@@H](CO)C2)c1 1413417495 HRYIYJNOTOTLCP-BETUJISGSA-N 310.375 -0.026 30 20 DBED C[C@@]1(CNC(=O)CCn2cc(C#N)c(O)nc2=O)CCCO1 1417667164 PDIGDNBJZIXWHL-AWEZNQCLSA-N 306.322 -0.104 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNCC(=O)NCc1cccs1 1422266990 QLALQOCZCJSFGM-QWRGUYRKSA-N 324.406 -0.409 30 20 DBED C[C@@H](CNC(=O)c1ncn(C)n1)NC(=O)c1cc(C#N)c[nH]1 1431792324 GYBUFGDVKDLEDD-QMMMGPOBSA-N 301.310 -0.437 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CN(C)C(=O)c1ncccc1O 1444639250 GWMZQWVFUSDUFS-UWVGGRQHSA-N 306.322 -0.504 30 20 DBED CC(C)NC(=O)[C@@H](C)NC(=O)CCn1cc(C#N)c(O)nc1=O 1469011202 PTOGLGZUNLHAOC-SECBINFHSA-N 321.337 -0.760 30 20 DBED C[C@H](C#N)C(=O)NCCN(C)C(=O)c1ccc2nnnn2c1 1528596532 KAQMJMUZQYMDGA-SECBINFHSA-N 301.310 -0.528 30 20 DBED C[C@H](C#N)C(=O)NCCN(C(=O)c1ccc(=O)n(C)n1)C1CC1 1529853252 JDDADDIESBDJRR-SNVBAGLBSA-N 317.349 -0.339 30 20 DBED C[C@H](C#N)C(=O)N(C)CCN(C)C(=O)C(C)(C)S(C)(=O)=O 1533042166 VQBPYMNERRZGNI-SNVBAGLBSA-N 317.411 -0.114 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)[C@H]2C[C@@H]2C(=O)O)CC1 1573310814 CWWQASWEIQLSMX-STQMWFEESA-N 321.377 -0.715 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)O)C[C@H]2CO)cc1O 1574245229 IVWKHDWQRUARPL-WDEREUQCSA-N 305.290 -0.036 30 20 DBED C#C[C@@H]1COCCN1S(=O)(=O)N1CCC(C(=O)O)CC1 1588384075 UPZOEYLJAXAYSP-LLVKDONJSA-N 302.352 -0.638 30 20 DBED C#CCCCC(=O)NC[C@@H](O)CN=c1cc[nH]c(C(=O)O)n1 1588435752 YSACGGLHGOFURR-JTQLQIEISA-N 306.322 -0.711 30 20 DBED C=CCn1c([C@H]2CNC(=O)C2)nnc1N1CC[C@@H](C(=O)O)C1 1588471578 BDTOOQFQFANCOJ-NXEZZACHSA-N 305.338 -0.022 30 20 DBED C[C@@H](C#N)C(=O)N(C)C[C@H](O)CN(C)c1ccnc(C(=O)O)n1 1589323689 KHKFZEFBSFGMRD-VHSXEESVSA-N 321.337 -0.410 30 20 DBED Cn1c(C(=O)N2CC[C@@](O)(CC#N)C2)ccc1-c1nn[nH]n1 1592550463 SBRFKPZWCJCPKM-ZDUSSCGKSA-N 301.310 -0.304 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)Cn2cccc(C(=O)O)c2=O)C1 1601062274 GVRVBKOEQJMYKP-CQSZACIVSA-N 305.290 -0.576 30 20 DBED N#Cc1cccc(-n2ccc(C(=O)N[C@H](CO)C(=O)O)n2)c1 1601115729 BNRSJLPNPCZZHX-GFCCVEGCSA-N 300.274 -0.081 30 20 DBED C[C@H](C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[nH]1)c1cnccn1 1603029666 DANYJASRFMEHAG-LURJTMIESA-N 310.281 -0.006 30 20 DBED C[C@H]1CN(C(=O)Cn2cnc(-c3nn[nH]n3)c2C#N)CCO1 1603920587 JRLLVIFGBVHXSO-QMMMGPOBSA-N 302.298 -0.818 30 20 DBED COC(=O)N1CCCN(C(=O)NCCn2cnc(C#N)n2)CC1 1647193563 DWPUFTZHDABLBT-UHFFFAOYSA-N 321.341 -0.367 30 20 DBED N#Cc1ccc(CNC(=O)CN2CCS(=O)(=O)CC2)nc1 1647196333 LXDYBMLPXXQMIR-UHFFFAOYSA-N 308.363 -0.700 30 20 DBED C#CCNC(=O)CN[C@@H]1CCC[C@H](NC(=O)c2cnsn2)C1 1752966604 URBRDMNXYJDQSI-MNOVXSKESA-N 321.406 -0.082 30 20 DBED C#CCNC(=O)CN1CCC[C@H]1CNC(=O)c1cnnc(C)c1 1753106202 WAXQLWHQWVUYIK-AWEZNQCLSA-N 315.377 -0.271 30 20 DBED C=CCN1CCN(CCN(C)C(=O)CN2CCCNC2=O)CC1 1753342035 HXRPSVSPCLFQFT-UHFFFAOYSA-N 323.441 -0.336 30 20 DBED C#CCNC(=O)[C@H](C)N1CC(NC(=O)Cc2cnn(CC)c2)C1 1753390915 BFXLFGSHDKFRME-LBPRGKRZSA-N 317.393 -0.616 30 20 DBED C=CCN1CC[C@@H](N[C@@H](CNC(=O)CNC(C)=O)C(C)C)C1=O 1753822717 OVXPLNIDFNIEGJ-KGLIPLIRSA-N 324.425 -0.360 30 20 DBED N#CCNC(=O)CNC/C=C\CNC(=O)c1csc(O)n1 1754160197 GISXSEYUZVNXPQ-UPHRSURJSA-N 309.351 -0.636 30 20 DBED C#Cc1ccc(C(=O)NC/C=C/CNCc2nnnn2C)nc1 1754196797 JKGHYBRVMOKMKL-SNAWJCMRSA-N 311.349 -0.338 30 20 DBED C=CCNC(=O)[C@H](C)NC[C@@H](C)NC(=O)c1ccn(C)c(=O)c1 1754231325 FUDNJOAVNNNCAL-NEPJUHHUSA-N 320.393 -0.216 30 20 DBED C#CCNC(=O)CNC[C@@H](C)NC(=O)[C@@H]1CCC(=O)N1C(C)C 1754239349 TVHVRLBWDYQIRQ-OLZOCXBDSA-N 322.409 -0.771 30 20 DBED COCC(=O)N1[C@H]2CCC[C@H]1CC(NCC(=O)NCC#N)C2 1754537976 HFKJIDDKXOBWAT-STQMWFEESA-N 308.382 -0.226 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(CCc2cnn(C)c2)C1 1754766902 AWLFHUKCDOAGGM-UHFFFAOYSA-N 320.393 -0.835 30 20 DBED N#CCNC(=O)CN1CC(O)(CNC(=O)[C@@H]2CC[C@H]3C[C@@H]3C2)C1 1754769475 BFDMTEIXECCBNV-YNEHKIRRSA-N 320.393 -0.775 30 20 DBED C=CCNC(=O)CNC1(CNC(=O)[C@@H]2C[C@@H]2C(=O)OC)CCC1 1754978630 MQGJMZCFKOIXQB-NEPJUHHUSA-N 323.393 -0.274 30 20 DBED C#CCOCCC(=O)NCC1(NCc2cnnn2C)CCC1 1754980629 KZFHIPZVCICFPN-UHFFFAOYSA-N 305.382 -0.017 30 20 DBED C#CCNC(=O)CN(C)CCCN(C)C(=O)Cc1cc[nH]n1 1755037687 VMWLVZXQVJQOHQ-UHFFFAOYSA-N 305.382 -0.518 30 20 DBED COCC#CCN1CC2(C1)CN(C(=O)C1(COC)CC1)CCO2 1755050224 HOKLXBADXYZTAD-UHFFFAOYSA-N 322.405 -0.024 30 20 DBED C=CCCC(=O)N1CCC[C@@](CO)(NCc2nc(=O)n(C)[nH]2)C1 1755081190 GWZDQDYCDRTBKU-OAHLLOKOSA-N 323.397 -0.482 30 20 DBED COCC#CCN1CCC(CO)(NC(=O)c2cn(C)cn2)CC1 1755177516 SMUZFZFFXNUJSD-UHFFFAOYSA-N 320.393 -0.373 30 20 DBED C#CCNC(=O)CN(C)[C@H](C)CNC(=O)c1cnc(OC)nc1 1755321867 VRUXGZBUZIWLKR-LLVKDONJSA-N 319.365 -0.715 30 20 DBED CN(C[C@@H](O)CNCC#N)C(=O)[C@H]1CCCN(C(=O)C2CC2)C1 1755781609 XARWVXSEOGQRHJ-KBPBESRZSA-N 322.409 -0.433 30 20 DBED C=CCCN(C)C[C@H](O)CN(C)C(=O)Cn1ccc(O)nc1=O 1755803366 SRTSNTRCLBAUJX-LBPRGKRZSA-N 324.381 -0.724 30 20 DBED C=C(C)CCC(=O)N[C@H](C)[C@@H](C)NC(=O)CN1CC(=O)NC1=O 1755974045 KOYMXBXWMNKJLK-GHMZBOCLSA-N 324.381 -0.096 30 20 DBED CNC(=O)CC(=O)N1C[C@H]2[C@H](CNC(=O)C#CC3CC3)[C@H]2C1 1756197925 NHYDBDCNLBBSEO-XYYAHUGASA-N 303.362 -0.644 30 20 DBED CCn1ncc(C(=O)N(C)CCOCCNC(=O)[C@H](C)C#N)n1 1756382088 YRVDAMFGENVOBR-LLVKDONJSA-N 322.369 -0.338 30 20 DBED C=CCOCC(=O)N[C@H](CO)CNC(=O)c1cnn(C)c1C 1756503931 RZGLMPKOIAUCFC-NSHDSACASA-N 310.354 -0.862 30 20 DBED C=CC(C)(C)CC(=O)N[C@@H](CO)CNC(=O)c1cnn(C)n1 1756537860 YOQNBXWZNPCYPZ-SNVBAGLBSA-N 309.370 -0.376 30 20 DBED CC#CCCCC(=O)NC[C@@H](CO)NC(=O)[C@H]1CCC(=O)N1C 1756543773 SNWNNAWBIOBQLN-QWHCGFSZSA-N 323.393 -0.606 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@@H](NC(=O)Cn2cncn2)[C@H](C)C1 1757106098 AJNRVJKOYIMQKK-FRRDWIJNSA-N 319.365 -0.721 30 20 DBED Cc1[nH]nc(C(=O)N2C[C@H](O)[C@H](NC(=O)C#CC3CC3)C2)c1C 1757171612 YWHFGYNFZUWVSI-OLZOCXBDSA-N 316.361 -0.259 30 20 DBED C=CCN(CC=C)S(=O)(=O)N1CCN(C(=O)C(=O)O)CC1 1776177382 QHMZWOZBYNJRKJ-UHFFFAOYSA-N 317.367 -0.866 30 20 DBED CC1(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C#CC(=O)O)COC1 1801988045 WXDQXRDWPAQCDC-ZSBIGDGJSA-N 320.345 -0.251 30 20 DBED N#CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)C(O)O)CC1 1824025006 WKFQINYKSYAKEC-LBPRGKRZSA-N 309.366 -0.170 30 20 DBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)/C(C)=C/OC)CCO2 1837266125 SVVSCHMGDDBZJY-WQMJKPAKSA-N 322.361 -0.374 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC(NS(=O)(=O)CCC)CC1 42134316 NSDYIIRJTWMIAT-LBPRGKRZSA-N 315.439 -0.082 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)C(=O)N2CCCC2)CC1 51955585 SLQMONAIDPTTCQ-CYBMUJFWSA-N 322.409 -0.556 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)Nc2c(C)n[nH]c2C)C1=O 69535020 FJCJMPLCMRWLPC-UHFFFAOYSA-N 305.294 -0.058 30 20 DBED N#C[C@H]1CN(C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)CCO1 264485701 MOELUHVUMDALNB-NSHDSACASA-N 322.346 -0.765 30 20 DBED CCS(=O)(=O)C[C@@H](C)Nc1c(C#N)c(=O)n(C)c(=O)n1C 264901281 BRKBNHVMGLZDAQ-MRVPVSSYSA-N 314.367 -0.809 30 20 DBED COC(=O)N1CC(NC(=O)CNC(=O)c2ccc(C#N)cc2)C1 269405875 ZYMPUBOJNQCQPL-UHFFFAOYSA-N 316.317 -0.145 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)OCc2ccnn2C)C1=O 269646404 PHHRFLIVQHNNJR-UHFFFAOYSA-N 306.278 -0.560 30 20 DBED C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCCN1CCNC(=O)C1 272766000 QEIWJKLQMKYUFM-GFCCVEGCSA-N 316.361 -0.126 30 20 DBED N#Cc1cccc(CS(=O)(=O)NCC(=O)N2CCNCC2)c1 315094718 MURYHSPKGSLLSW-UHFFFAOYSA-N 322.390 -0.591 30 20 DBED CS(=O)(=O)N1CCN(C/C(O)=N/CC[C@H]2CCOC2)CC1 329763345 UKDCBWWKBDXNPV-LBPRGKRZSA-N 319.427 -0.053 30 20 DBED Cc1nc([C@@H]2CN(/C(O)=N/C[C@H]3CN(C)CCO3)CCO2)n[nH]1 330345686 FMRFSHZNHCSJNN-RYUDHWBXSA-N 324.385 -0.269 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@H]1CN(C)CCN1C 330386644 MGXLZYLAGLGKFE-OLZOCXBDSA-N 317.459 -0.452 30 20 DBED CC/N=C(/O)NC(=O)CN1CCN(Cc2cnn(C)c2)CC1 330649709 JALNKTZVEYACRC-UHFFFAOYSA-N 308.386 -0.412 30 20 DBED CN(CC#N)C(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1 330697072 CXKVSYOQVNZWLO-CYBMUJFWSA-N 308.382 -0.318 30 20 DBED C[C@@H]1CN(C(=O)C(=O)N2CCc3ccc(C#N)cc32)CC(=O)N1 332248015 BFDUDPRFMJAWIL-SNVBAGLBSA-N 312.329 -0.206 30 20 DBED Cn1c(N2CCO[C@H](C3CCC3)C2)c(C#N)c(=O)n(C)c1=O 334121717 LTSJXQOTJIIRGJ-LBPRGKRZSA-N 304.350 -0.039 30 20 DBED CC(C)[C@H](O)C1(CNS(=O)(=O)N2CCO[C@H](C#N)C2)CC1 336883867 HJBXQWAPSUQMMI-NEPJUHHUSA-N 317.411 -0.158 30 20 DBED COCCN(CCC#N)S(=O)(=O)N(C)CCCC(=O)OC 336922276 SUFHXWCKSUQZNN-UHFFFAOYSA-N 321.399 -0.022 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)[C@@H]2CCS(=O)(=O)C2)C1=O 337069376 MAVKOYWEORLKBS-MNOVXSKESA-N 300.380 -0.334 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N1CCC[C@H](OCCO)C1 337082398 ZPEFXRRYZVIWQP-NEPJUHHUSA-N 305.400 -0.204 30 20 DBED C[C@@H](O)C[C@H]1CCCN1C(=O)C(=O)Nc1ccn(CCC#N)n1 337546157 ONRSKGXQKQECNG-VXGBXAGGSA-N 319.365 0.497 30 20 DBED CCOC(=O)CCCS(=O)(=O)N1CCN(CC#N)CC1 341423550 LFBMTKOBVVHFDD-UHFFFAOYSA-N 303.384 -0.199 30 20 DBED N#CCCCNC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 345143594 CZVPHRBLQUYWHD-CYBMUJFWSA-N 308.382 -0.413 30 20 DBED CN(CCC#N)S(=O)(=O)N1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O 345355147 PWBHXMAIGSYUTB-HBNTYKKESA-N 300.384 -0.338 30 20 DBED CCN1C[C@@H](C(=O)N(CCC#N)CCN2CCOCC2)CC1=O 346790118 NQLCQDJYFKOZNZ-AWEZNQCLSA-N 322.409 -0.071 30 20 DBED C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCCC1 349574813 NDZFOGVMJTYCOH-JTQLQIEISA-N 309.413 -0.366 30 20 DBED O=C(NCC#CCO)c1ccc(N2CCCS2(=O)=O)cc1 352186285 KTWPPSQGWZURDQ-UHFFFAOYSA-N 308.359 -0.048 30 20 DBED N#Cc1cccc(F)c1CC(=O)NCCN1CCNC(=O)C1 354658307 KUNIWNMLGGMHDA-UHFFFAOYSA-N 304.325 -0.212 30 20 DBED Cn1cc(C#N)cc1C(=O)NC1CCN(c2nnnn2C)CC1 372693332 KGRGHYKOMMZHHY-UHFFFAOYSA-N 314.353 -0.181 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCN([C@@H]2CCOC2)CC1 374446205 HITIYGPJJJMXLZ-QWHCGFSZSA-N 316.427 -0.271 30 20 DBED C=CCCCCCN(C)C(=O)C(=O)N1C[C@H]2C(=O)NC(=O)[C@H]2C1 410645174 UVHFMYFKRDNGKL-TXEJJXNPSA-N 321.377 -0.078 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)NCC[C@H]2CCCN2)CC1 418582456 VQKBIBCTKUIPTQ-CQSZACIVSA-N 323.441 -0.242 30 20 DBED COC(=O)CN(CC#N)CCC(=O)NC(=O)NCC(F)(F)F 435055573 IKIIEFABPSVIDI-UHFFFAOYSA-N 324.259 -0.237 30 20 DBED COc1ccc(C#N)cc1NC(=O)C(=O)N1C[C@H](O)C[C@@H]1CO 442276737 AKIKWUXQVWOAPZ-GHMZBOCLSA-N 319.317 -0.541 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)CCNS(=O)(=O)CC 447199788 MKCWEGLMOWOEIH-JTQLQIEISA-N 311.429 -0.263 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@@]2(C)CCCCO2)CC1 491662307 GZUUDUFBOVTEGF-MRXNPFEDSA-N 307.394 -0.161 30 20 DBED C[C@H](CNC(=O)OC(C)(C)C)NC(=O)NCC(=O)NCC#N 495640039 QDOVHPZYJVGSPM-SECBINFHSA-N 313.358 -0.161 30 20 DBED C=CCNC(=O)CNC(=O)C1(O)CN(C(=O)OC(C)(C)C)C1 497173601 VTUGPXITEAKBIY-UHFFFAOYSA-N 313.354 -0.613 30 20 DBED C[C@H](CCN)NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 567907939 IXRWBAFNGJDJDZ-SNVBAGLBSA-N 310.379 -0.310 30 20 DBED COc1ncccc1NC(=O)C(=O)N1CC[C@](O)(CC#N)C1 592304377 KOFLOVJPPHICGX-CQSZACIVSA-N 304.306 -0.094 30 20 DBED CN(C)CCN(CC(=O)N(C)C)S(=O)(=O)CCCC#N 594843793 RDAOCKLDPUILDY-UHFFFAOYSA-N 304.416 -0.428 30 20 DBED C[C@@H](C#N)N(CC(=O)NCCCN(C)S(C)(=O)=O)C1CC1 595719918 BGFSLIODHFSXTM-NSHDSACASA-N 316.427 -0.239 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCNC[C@@H]2C(C)C)C1=O 638486089 BUKSRVSVOUXMJX-LLVKDONJSA-N 322.365 -0.580 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 730103836 HHRLPXXMWCQENI-LSDHHAIUSA-N 319.405 -0.066 30 20 DBED CN1CC[C@H](C(=O)OCc2cc(O)n3ncc(C#N)c3n2)C1=O 784787899 NUNOLCIGGJDLRR-JTQLQIEISA-N 315.289 -0.172 30 20 DBED C[C@@H]1CCC(=NNC(=S)NCC(N)=O)[C@H](n2cncn2)C1 794510561 SQFKNNUCJYDHGJ-PSASIEDQSA-N 309.399 -0.055 30 20 DBED C#CCNS(=O)(=O)N1CCN(Cc2cncc(F)c2)CC1 796447186 AMZSZDRCYYTGIF-UHFFFAOYSA-N 312.370 -0.194 30 20 DBED N#CCCNC(=O)COC(=O)[C@H]1COCCN1CC(F)(F)F 801339880 HFLHWTSGUPTDCS-SECBINFHSA-N 323.271 -0.177 30 20 DBED CNS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@](C)(C#N)CC(=O)O 820641296 PHLBBHUWUOMIGC-CABZTGNLSA-N 317.367 -0.469 30 20 DBED COC(=O)C[C@@H](C)C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[nH]1 821657721 USQGMQUVPHSTOJ-RXMQYKEDSA-N 304.270 -0.401 30 20 DBED C=CCNC(=O)CNC(=O)[C@H]1CNC(=O)C[C@H]1C(F)(F)F 821753203 IJJGXRDCPQWMJD-JGVFFNPUSA-N 307.272 -0.281 30 20 DBED N#CCCN(CCN1CCOCC1)C(=O)C[C@H]1CCC(=O)N1 824902028 PJRSTNQWEROMPD-CYBMUJFWSA-N 308.382 -0.270 30 20 DBED C[C@@H](NC(=O)CN(CC#N)CC(=O)O)C(=O)N1CCCCC1 827631094 WCYPXMVQFDELNC-LLVKDONJSA-N 310.354 -0.586 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)/C=C(\C)COC)CC1 831579706 MTWVPCTXPRZSBS-ZRDIBKRKSA-N 315.395 -0.809 30 20 DBED N#C[C@H]1CNC[C@H]1NC(=O)CCNC(=O)Cc1ccccc1 834516984 OLKFZRIYEGFUIR-UONOGXRCSA-N 300.362 -0.037 30 20 DBED CN(C)S(=O)(=O)c1ccc(F)c(C(=O)NCC#CCO)c1 848040912 SIFXQCYYYHDABT-UHFFFAOYSA-N 314.338 -0.199 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C1=C(C)N(C)c2nnnn2C1 863780892 FPFVGCADTXBJNH-NSHDSACASA-N 304.354 -0.059 30 20 DBED C#C[C@H](NC(=O)N(CCO)CCOCCO)[C@@H]1CCCO1 875506910 RCZJFGFCCYWPRO-STQMWFEESA-N 300.355 -0.820 30 20 DBED C[C@H](NC(=O)C(=O)N1CCN(CCC#N)CC1)[C@H]1CCCNC1 884684007 UXZLFSKZUHEWPA-KBPBESRZSA-N 321.425 -0.451 30 20 DBED C#CCN1CCN(C(=O)CN2[C@H](C)C(=O)N[C@H](C)[C@H]2C)CC1 930830045 AKVGUQXBOKVCKL-MGPQQGTHSA-N 306.410 -0.639 30 20 DBED Cc1ccc(C(=O)NC[C@H]2CN(C(=O)[C@@H](C)C#N)CCO2)nn1 944588679 GRGPAGGWNXGXFR-JQWIXIFHSA-N 317.349 -0.098 30 20 DBED O=C1N[C@H](C(=O)NC2CCN(C(=O)C#CC3CC3)CC2)CO1 946690558 QSHXILRSTJOEND-LBPRGKRZSA-N 305.334 -0.385 30 20 DBED C[C@H](C#N)C(=O)N1CCC(NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 948096288 JFNXKJHBVOSTPC-ADEWGFFLSA-N 322.365 -0.714 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@@H]2CNC(=O)c2cnn(C)n2)nc1 951089027 GEBNYABYMNCFIC-GFCCVEGCSA-N 324.344 -0.164 30 20 DBED COc1nccc(C(=O)NC[C@H]2CCN2C(=O)[C@@H](C)C#N)n1 951330972 KKNZIUQIOSKOOP-VHSXEESVSA-N 303.322 -0.024 30 20 DBED C=C(C)CN1C[C@H](CNC(=O)c2cc(=O)c(OC)c[nH]2)[C@@H](O)C1 958261767 AOZVSYJHIIXKTH-FZMZJTMJSA-N 321.377 -0.018 30 20 DBED N#CCN1C[C@H](O)[C@H](CNC(=O)c2cnc(C3CC3)nc2)C1 958462957 JGQOCKHGYOGRBX-OLZOCXBDSA-N 301.350 -0.100 30 20 DBED CSCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C#N)[nH]2)C1 958826424 UXNJOWGPGDLMSD-RYUDHWBXSA-N 322.390 -0.107 30 20 DBED C#CCCN1C[C@@H]2C(NC(=O)CN3CCCS3(=O)=O)[C@H]2C1 960186975 VQKOOTHDEYKEOP-RYUDHWBXSA-N 311.407 -0.908 30 20 DBED N#CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1COC(=O)N1 960263853 BFBIJTOINFPCIE-JHJVBQTASA-N 300.318 -0.010 30 20 DBED O=C(C[C@@H]1CCCOC1)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 963693214 HNLQZAIZFUNJJA-ZNMIVQPWSA-N 320.389 -0.096 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(CC(N)=O)CC[C@H]2C)nc1 968548707 IOWVDFLPOZVGLZ-BXUZGUMPSA-N 300.362 -0.012 30 20 DBED CC#CCN1CCO[C@]2(CCN(C(=O)[C@@]3(C)CCNC3=O)C2)C1 972547452 AZTQNCPYPJYORV-DLBZAZTESA-N 319.405 -0.161 30 20 DBED N#Cc1cc(C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3COC(=O)N3)C2)c[nH]1 973190493 FVMIQUSFVJXPNJ-FXPVBKGRSA-N 317.305 -0.628 30 20 DBED C[C@H]1C[C@H](CNCc2nnnn2C)CN1C(=O)C#CC1CC1 980574119 GTCQSHHLXJXNDU-WCQYABFASA-N 302.382 -0.050 30 20 DBED Cc1nc(C(=O)N2CC[C@@H](NCC#N)[C@H]2C)nn1-c1nc[nH]n1 986635789 QDBJDGBIEWFWOV-PSASIEDQSA-N 315.341 -0.590 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](NC(=O)c2cc(C(N)=O)c[nH]2)[C@H]1C 989514306 HBAZTWLIWQFNPA-KKZNHRDASA-N 317.349 -0.008 30 20 DBED C=C(C)CN1CCCN(C(=O)c2cn(CC(N)=O)nn2)CC1 989739602 WKBVSMHJECLUCZ-UHFFFAOYSA-N 306.370 -0.513 30 20 DBED C#CCN1CCC(C(=O)N2C[C@H](NCC(N)=O)C[C@H]2C)CC1 989828454 DCLHQPLMQLKDSR-TZMCWYRMSA-N 306.410 -0.604 30 20 DBED N#Cc1cc(C(=O)NCC2CN(C(=O)[C@@H]3CCC(=O)N3)C2)c[nH]1 1001509138 NZOPPNSNBFJZGP-LBPRGKRZSA-N 315.333 -0.647 30 20 DBED C=CC(C)(C)C(=O)N1CC([C@@H](C)NC(=O)[C@H]2CNC(=O)N2)C1 1006740821 KVJDJGNDUAAGPG-MWLCHTKSSA-N 308.382 -0.157 30 20 DBED CC(=O)N1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H](C)C#N)CC1 1011287658 ZEVUJUQHEBOHGH-WCQYABFASA-N 306.366 -0.172 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H]2C(NC(=O)[C@@H]3COC(=O)N3)[C@@H]2C1 1013026405 NFVBHSCSWBYUIU-BBBLOLIVSA-N 307.350 -0.120 30 20 DBED O=C(NC1[C@H]2CN(C(=O)C#CC3CC3)C[C@H]12)c1cnnc(O)c1 1013265085 KFWPGKQTUZABDA-RYUDHWBXSA-N 312.329 -0.218 30 20 DBED N#CCN1CC[C@@H](NC(=O)[C@@H]2COCCN2CC(F)F)C1 1015395200 BYCZKEXSUPQNDD-MNOVXSKESA-N 302.325 -0.334 30 20 DBED C=CCN1CC[C@@H](N(C)C[C@H]2CCCN(C(=O)C(N)=O)C2)C1=O 1017199347 HRMIRODUXKMNKV-CHWSQXEVSA-N 322.409 -0.571 30 20 DBED CC(=O)N1CCC[C@@H](N2CCN(C(=O)[C@H](C)C#N)CC2=O)C1 1017853091 XIJXKYBBTVZUAU-DGCLKSJQSA-N 306.366 -0.172 30 20 DBED C#CCCN1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CCC(=O)NC1=O 1018151156 ZHFUDZCOCQHJML-BETUJISGSA-N 318.377 -0.373 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCN(C(=O)CN3CCOCC3)C2)C1 1019362841 GRDJSRMRNLQDLX-CYBMUJFWSA-N 320.393 -0.461 30 20 DBED CO[C@@H](C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 1023327694 RKMZXRXRRKARQO-XXILOJSOSA-N 306.322 -0.777 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC(=O)N2C)C1 1025132437 IBOAGUUWRKXBBZ-GRYCIOLGSA-N 323.393 -0.493 30 20 DBED CCc1nocc1C(=O)N[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1O 1025511076 FSIGKAJSMWHKMP-GGZOMVNGSA-N 306.322 -0.302 30 20 DBED C=CCCn1cc(C(=O)NC[C@H]2CCCN2[C@@H](C)C(N)=O)nn1 1028192330 KNICAQRKDQGZEP-NWDGAFQWSA-N 320.397 -0.078 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)c3ccn(C)n3)C2)C1=O 1031387969 DASUUOFQDSUXNW-CYBMUJFWSA-N 303.366 -0.379 30 20 DBED CC#CCN1CCO[C@H](CNC(=O)c2ccnn2CCOC)C1 1035408696 SWMHRWCIEMWDHI-CQSZACIVSA-N 320.393 -0.017 30 20 DBED N#CCN1CCO[C@@H](CNC(=O)c2cc3n(n2)CCCO3)C1 1035441781 FGUIZNQYENLDLN-NSHDSACASA-N 305.338 -0.380 30 20 DBED C=CCN1CCO[C@@H](CNC(=O)[C@H]2CCCCN2C(N)=O)C1 1035571775 JGVZUPUEDHPKCU-QWHCGFSZSA-N 310.398 -0.077 30 20 DBED COCCn1cc(C(=O)N2CC[C@@H]3[C@H](CCN3CC#N)C2)nn1 1036708894 MDWMTNUKPUEENB-TZMCWYRMSA-N 318.381 -0.016 30 20 DBED N#Cc1ccccc1CN1C[C@H]2C[C@H]1[C@@H]2NC(=O)Cn1cnnn1 1037312885 YCKKYJNLSNHPEC-IJEWVQPXSA-N 323.360 -0.066 30 20 DBED C=CCCN1C[C@H]2C[C@H]1[C@H]2NC(=O)Cn1ccc(O)nc1=O 1037493775 RUHMXYUNQVNUIV-SUNKGSAMSA-N 304.350 -0.286 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2CCN2CCn2cncn2)nn1 1038789032 DQBNRJIKJMXVBQ-GFCCVEGCSA-N 316.369 -0.440 30 20 DBED C#CCN1[C@H]2CCC[C@H]1CN(C(=O)Cn1ccc(O)nc1=O)C2 1039734827 SDUGQSZQOQYRIB-STQMWFEESA-N 316.361 -0.353 30 20 DBED N#Cc1nccc(N2C[C@@H]3CCN(C(=O)Cn4nccn4)[C@@H]3C2)n1 1040730767 LHAFIVJBVRJQHL-NWDGAFQWSA-N 324.348 -0.323 30 20 DBED C[C@@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)COCC2CC2)C1 1040763634 QLEWPYYMQPVRFY-XHDPSFHLSA-N 309.366 -0.348 30 20 DBED Cc1n[nH]cc1C(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1O 1041271185 UXSLSIKXRBQQBU-VXGBXAGGSA-N 313.321 -0.641 30 20 DBED N#Cc1cnc(N2C[C@@H](O)[C@H](NC(=O)[C@]3(F)CCOC3)C2)cn1 1041304741 QEDQMRVBDDTTEI-GYSYKLTISA-N 321.312 -0.857 30 20 DBED C#Cc1ccc(C(=O)N2CC(O)(CNC(=O)[C@@H](C)OC)C2)nc1 1041758103 DYGSZTUULBTXCF-LLVKDONJSA-N 317.345 -0.599 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)CNC(=O)CCC)C1 1041783896 LFZMTGGBRQHUDN-UHFFFAOYSA-N 323.393 -0.604 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)c2n[nH]c(C)c2O)C1 1042573071 VMDMHFGYZOLFKD-UHFFFAOYSA-N 308.338 -0.307 30 20 DBED CC#CCN1CC(N(C)C(=O)CN2C(=O)CC(C)(C)C2=O)C1 1042725711 ACRQZOZQOJHJJR-UHFFFAOYSA-N 305.378 -0.063 30 20 DBED O=C(NCC1(O)CN(C(=O)C#CC2CC2)C1)[C@H]1CCCOCC1 1042822609 KACJBFUXOBASHK-AWEZNQCLSA-N 320.389 -0.094 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)[C@H]2CC[C@@H](C)O2)C1 1042941997 WMZUPLCJJCYHEH-CHWSQXEVSA-N 308.378 -0.097 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)[C@@H]2CCCCN2C)C1 1042943621 UZBISENHOLZOTN-AWEZNQCLSA-N 321.421 -0.180 30 20 DBED COCC[C@@H](C)C(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042963169 JKSBTNZALKVYHS-GFCCVEGCSA-N 308.378 -0.238 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)CCc2cn[nH]c2)C1 1043219087 ZGNOIJKLAPNSEO-JTQLQIEISA-N 305.338 -0.809 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)c2cnn3c2CCC3)C1 1043522442 SNULTJIVACJOET-JTQLQIEISA-N 317.349 -0.708 30 20 DBED C#CCN1C[C@H]2C[C@@H](NC(=O)C3CC(=O)NC(=O)C3)C[C@H]1C2 1047161670 PMIZXDHRYJYEMG-CYZMBNFOSA-N 303.362 -0.359 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3cncn3C2)C1 1047436334 XQLFJIHBLNHCGD-SNPRPXQTSA-N 302.378 -0.418 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)Cc2c(C)nn(C)c2C)C1 1047474691 NAPKLOPORNWBOL-GJZGRUSLSA-N 304.394 -0.284 30 20 DBED C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1c(O)nnc1O 1049868663 VPUJCEBUDOPGMU-WDEREUQCSA-N 305.338 -0.612 30 20 DBED C#CCN1CCN([C@H]2CCN(C(=O)Cn3cccn3)C2)CC1 1051982524 GIYGVXZDMSBELY-HNNXBMFYSA-N 301.394 -0.265 30 20 DBED C#CCN1CCN([C@H]2CCN(C(=O)[C@@H]3CC(=O)N(C)C3)C2)CC1 1052035452 JUFUEUQSUQGSHS-CABCVRRESA-N 318.421 -0.684 30 20 DBED CC#CCN1CCC[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 1052751888 IYHGQYSDNAFEQU-NEPJUHHUSA-N 306.366 -0.422 30 20 DBED C=C(C)CN1CC2(C1)CN(C(=O)CN1CC(=O)NC1=O)CCO2 1053474253 HLOULGKJGCMWMZ-UHFFFAOYSA-N 322.365 -0.973 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)c3nnn(C(C)(C)C)n3)CO2)C1 1053807695 OYOOOPLVXPHMQN-LLVKDONJSA-N 318.381 -0.366 30 20 DBED CN1CC[C@H](C(=O)NC2[C@@H]3CN(c4nccnc4C#N)C[C@@H]23)C1 1056228735 UBYRMNMTZWIOQU-QJPTWQEYSA-N 312.377 -0.149 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)c1c[nH]c(=O)cn1 1057168429 GDHIMUFGDZCSOP-UHFFFAOYSA-N 308.338 -0.713 30 20 DBED CCOCCC(=O)N(CCO)CCNC(=O)c1c[nH]c(C#N)c1 1057183249 QFTNBYZPMRBZQX-UHFFFAOYSA-N 322.365 -0.136 30 20 DBED C#CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)CC(C)(C)O 1057463134 LCUUDECBWXTNLH-LBPRGKRZSA-N 314.382 -0.877 30 20 DBED C#CCO[C@H](C)C(=O)N(CCO)CCNC(=O)[C@@H](F)CC 1057587825 MKAJQQZDLMJMLB-NEPJUHHUSA-N 302.346 -0.290 30 20 DBED Cn1nncc1C(=O)N[C@@H]1CCCN(c2ccc(C#N)nn2)C1 1058152318 QAZSMUAKKRHORQ-LLVKDONJSA-N 312.337 -0.124 30 20 DBED N#Cc1cnc(N2CC[C@@H](NC(=O)[C@@H]3COC(=O)N3)C2)cn1 1058350676 QUAMKABNZAQNML-SCZZXKLOSA-N 302.294 -0.848 30 20 DBED C=C[C@@H](C)[C@@H](C)C(=O)NCCN(CCO)C(=O)c1nc[nH]n1 1058388385 CXECZEKIDQGYCR-GHMZBOCLSA-N 309.370 -0.186 30 20 DBED CCc1c(C(=O)NCCN(CCO)C(=O)[C@H](C)C#N)cnn1C 1058653292 RJKOSMVCNFVZIW-LLVKDONJSA-N 321.381 -0.307 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)[C@@H](C)c1cnn(C)c1 1058657022 ORNLXYDOZUKIMH-RYUDHWBXSA-N 321.381 -0.380 30 20 DBED Cc1cc(C#N)nc(N[C@H]2C[C@H](NC(=O)[C@@H]3CNC(=O)N3)C2)n1 1059391647 GTLHJEYRWUBVSM-QXEWZRGKSA-N 315.337 -0.603 30 20 DBED N#CCSCC(=O)NC[C@@H]1COCCN1C(=O)c1cnn[nH]1 1061323434 PRVWXPAMCJEODV-SECBINFHSA-N 324.366 -0.981 30 20 DBED C=CCCC(=O)N1CCOC[C@H]1CNC(=O)[C@@H]1COCCO1 1061323946 UTMGLMBBKFSVTQ-OLZOCXBDSA-N 312.366 -0.288 30 20 DBED N#Cc1cnc(N2CCC[C@@H]2CNC(=O)[C@H]2CCC(=O)N2)cn1 1061327374 IARLCMYMFLFRGM-VXGBXAGGSA-N 314.349 -0.288 30 20 DBED C#Cc1ccc(C(=O)N2CCOC[C@@H]2CNC(=O)C(N)=O)cc1 1061837619 VTKRHVJVBSQMFK-ZDUSSCGKSA-N 315.329 -0.890 30 20 DBED C=CCOCC(=O)NC1(CNC(=O)Cn2ncnn2)CCC1 1063146216 ABAKUJSLDLXQPU-UHFFFAOYSA-N 308.342 -0.969 30 20 DBED Cn1ncc(C(=O)N[C@H]2[C@H]3C[C@H]2N(c2cncc(C#N)n2)C3)n1 1064274710 CIDUZOMOUIDTKZ-KDDOJWQBSA-N 310.321 -0.516 30 20 DBED Cc1cc(C#N)nc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)c2cnn(C)n2)n1 1064275262 QZIGJCJLXGQECJ-ICCXJUOJSA-N 324.348 -0.208 30 20 DBED CC#CCCCC(=O)NC[C@@H]1CN(C(=O)CC(N)=O)CCO1 1065000718 FJZAOCMWJQAEMI-GFCCVEGCSA-N 309.366 -0.601 30 20 DBED Cc1cc(C(=O)N2CCO[C@@H](CNC(=O)[C@H](C)C#N)C2)cnn1 1065085114 GJERTCSWZUGNHZ-MFKMUULPSA-N 317.349 -0.098 30 20 DBED CC(=O)N[C@H](C)C(=O)NC[C@@H]1CN(C(=O)C#CC(C)C)CCO1 1065125001 SDCLUGXUGRBXAK-TZMCWYRMSA-N 323.393 -0.486 30 20 DBED C=CCC(CC=C)C(=O)N1CCO[C@@H](CNC(=O)C(N)=O)C1 1065190445 SXSDTPNJLAGPIW-LBPRGKRZSA-N 309.366 -0.416 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2ccnnc2)CCO1 1065671353 ZZZPEYDPIFDPCP-ZDUSSCGKSA-N 320.349 -0.364 30 20 DBED C[C@H]1CN(C(=O)c2cnn[nH]2)C[C@H]1CN=c1cc[nH]c(C#N)n1 1065919180 JDNMWUFTVTYXOE-VHSXEESVSA-N 312.337 -0.292 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](CNC(=O)c3ccon3)C2)nn1 1067653679 NFIMSWAUZCWAFR-SKDRFNHKSA-N 314.305 -0.437 30 20 DBED C[C@H](Nc1ccc(C#N)nn1)[C@H]1CN(C(=O)CC(N)=O)CCO1 1068227983 SCLXANWYDXAQAP-GXSJLCMTSA-N 318.337 -0.749 30 20 DBED C#CCOCCC(=O)N[C@@H]1COC2(C1)CN(C(=O)C1CC1)C2 1068868485 OYOPMXVVNZWLPY-ZDUSSCGKSA-N 306.362 -0.078 30 20 DBED C#CCCCCCC(=O)N[C@@H]1COC2(C1)CN(C(=O)C(N)=O)C2 1068949299 APRGZDIGDFWKOU-LBPRGKRZSA-N 321.377 -0.459 30 20 DBED C=CCOCC(=O)NCc1ccc2c(c1)CN(C(=O)C(N)=O)C2 1070302783 CDKDBMZPOJOTQF-UHFFFAOYSA-N 317.345 -0.167 30 20 DBED C[C@H](NC(N)=O)C(=O)N[C@@H]1CCCN(C(=O)C#CC2CC2)C1 1070706705 GAMVFAXWEDSZKH-CMPLNLGQSA-N 306.366 -0.436 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCCN(C(=O)CC(=O)N(C)C)C1 1070752494 TXOGDJIVELTKIZ-CYBMUJFWSA-N 323.393 -0.388 30 20 DBED C[C@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1NC(=O)CNC(N)=O 1072060314 NXUSSKPXIAOMRH-WDEREUQCSA-N 308.382 -0.333 30 20 DBED C=CCCO[C@H](C)C(=O)N[C@@H](C)CCNC(=O)Cn1cnnn1 1075561384 ZXGAUBXHUZPTHO-NWDGAFQWSA-N 324.385 -0.335 30 20 DBED C=C(C)CN1C[C@@H]2CCN(C(=O)CN3CCN(C)C(=O)C3)[C@@H]2C1 1075966077 NUWFSHHSXNJRQY-LSDHHAIUSA-N 320.437 -0.131 30 20 DBED C[C@@H](CCNC(=O)c1cccnc1C(N)=O)NC(=O)[C@@H](C)C#N 1076780344 ALELKCGSZMOWRV-UWVGGRQHSA-N 317.349 -0.035 30 20 DBED Cc1oc2ncnc(O)c2c1C(=O)N[C@@H]1CN(CC#N)C[C@H]1O 1077133744 ZFCHWFCLFQBUJN-RKDXNWHRSA-N 317.305 -0.465 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN2c2ncccn2)C1 1077164583 RLMCMPCTBIRXPV-FRRDWIJNSA-N 316.365 -0.870 30 20 DBED C=CCCC(=O)N[C@@H](C)CCNC(=O)CCn1ncn(C)c1=O 1077465090 HZHFGYMLOLNEGV-LBPRGKRZSA-N 323.397 -0.051 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2cc3c(cn2)OCCC3)C1 1078089745 SIDVMILFNJJAKP-CHWSQXEVSA-N 302.334 -0.295 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@H](C2CC2)N2CCOCC2)C1 1078214209 WWTLVPXATHRIGI-OAGGEKHMSA-N 321.421 -0.718 30 20 DBED CCN(C(=O)CN(C)C(=O)COC)C1CN(C(=O)[C@H](C)C#N)C1 1079916783 XUPIYRSINCONMY-LLVKDONJSA-N 324.381 -0.690 30 20 DBED C#CCCCCC(=O)NC[C@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1O 1081416796 KJPJXFQUOCRCJW-NWDGAFQWSA-N 319.365 -0.453 30 20 DBED Cc1n[nH]cc1C(=O)NC[C@@H]1CN(C(=O)C#CC(C)C)C[C@H]1O 1081636130 ZJXFKCRJUQUMLK-TZMCWYRMSA-N 318.377 -0.073 30 20 DBED CC#CCCCC(=O)NC[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1O 1081672360 XINGQQPHZCPIID-NEPJUHHUSA-N 319.365 -0.453 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCCC[C@H]1CNC(=O)CC(N)=O 1082035286 BJPCYVCJELLQTB-NHYWBVRUSA-N 311.382 -0.314 30 20 DBED C=CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CN1C(=O)CCC1=O 1083269829 YUICYAAPDYYSHK-NWDGAFQWSA-N 307.350 -0.767 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2ccc3c(O)nccc3n2)C1 1083584233 MZOKWRYFYUIKOD-OLZOCXBDSA-N 313.317 -0.366 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2ccnc3[nH]c(CC)nc23)C1 1083663937 XJVPWHRKLNVSSC-NEPJUHHUSA-N 313.361 -0.072 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)[C@H]2CN(C(C)C)CCO2)C1 1083723702 XCRDYWVELBEUPW-QLFBSQMISA-N 311.426 -0.167 30 20 DBED N#Cc1ccc(CN2C[C@H](O)[C@H](NC(=O)c3nc[nH]n3)C2)s1 1083873967 YLNYYONHVSQSTF-MNOVXSKESA-N 318.362 -0.287 30 20 DBED N#Cc1ccc(CN2C[C@H](O)[C@H](NC(=O)c3cnon3)C2)s1 1083878036 ZOWNFHQNGUHKPB-NEPJUHHUSA-N 319.346 -0.022 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)Cc3ccc(C(N)=O)nc3)[C@@H]2C1 1084451992 PFMJTGFFHHLSKK-UKRRQHHQSA-N 312.373 -0.111 30 20 DBED CN(C[C@@H]1CCN1Cc1nnnn1C)C(=O)c1ccc(C#N)[nH]1 1085552927 RYCRZZUDVIHALN-NSHDSACASA-N 314.353 -0.244 30 20 DBED C#CCN1CCC(C(=O)NC[C@H]2C[C@H](N[C@@H](C)C(N)=O)C2)CC1 1086558343 DSZYNXJDBWTGFI-YDHLFZDLSA-N 320.437 -0.310 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)Cn1ncnn1)N=c1cc[nH]cc1C#N 1089401157 SLQDGUPXVUSOPS-WDEREUQCSA-N 314.353 -0.243 30 20 DBED Cc1noc2ncnc(N3C[C@H](O)[C@H](NC(=O)[C@@H](C)C#N)C3)c12 1091082304 CLQZZLQTWYNZIF-SFGNSQDASA-N 316.321 -0.248 30 20 DBED CC(C)[C@@H](O)C(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@@H]1O 1091092104 XZKJLEAWEYZKBN-FRRDWIJNSA-N 304.350 -0.364 30 20 DBED CC(C)(C(N)=O)C(=O)NC[C@H]1C[C@@H](N=c2cc[nH]c(C#N)n2)C1 1091378704 NVJFZRVYSIVKAB-AOOOYVTPSA-N 316.365 -0.412 30 20 DBED C#CCN1C[C@@H]2CN(C(=O)[C@@H]3CCS(=O)(=O)C3)C[C@]2(C)C1 1091831581 RXTSSFPMBFYPQC-NFAWXSAZSA-N 310.419 -0.165 30 20 DBED CNC(=O)NCC(=O)N[C@H]1CCN(c2ccc(C#N)nn2)[C@@H]1C 1092057620 NTSYMJDWRSINKY-KOLCDFICSA-N 317.353 -0.639 30 20 DBED CN(C)CCC(=O)N[C@H]1CCN(c2ccc(C#N)nn2)C[C@@H]1O 1092172273 CWEVJGSNXGVEOV-STQMWFEESA-N 318.381 -0.644 30 20 DBED N#Cc1ccc(NCCNC(=O)[C@H]2CCc3nncn3C2)nn1 1093669234 ZNOJSUJWXVDSIE-JTQLQIEISA-N 312.337 -0.270 30 20 DBED Cc1cc(C#N)nc(NCCNC(=O)CO[C@@H]2CCOC2)n1 1093880930 NRSFWBKWLINADF-GFCCVEGCSA-N 305.338 -0.010 30 20 DBED CC[C@@H](C)C(=O)NCC(=O)NCCCN=c1cc[nH]c(C#N)n1 1094440995 ILVQKDRHVODPRU-LLVKDONJSA-N 318.381 -0.149 30 20 DBED CC(=O)NCC(=O)N[C@H]1CCCN(c2ccc(C#N)nn2)C1 1096133459 XHHVCUZXEQRAOD-LBPRGKRZSA-N 302.338 -0.431 30 20 DBED N#Cc1ccc(N2CC[C@@H](NC(=O)CCn3cnnn3)C2)cn1 1096414970 IFDIFMFAPKFVET-GFCCVEGCSA-N 312.337 -0.275 30 20 DBED N#Cc1cncc(N2CC[C@H](NC(=O)CCc3cnn[nH]3)C2)n1 1096487950 CNIVZLBHWJNSNK-NSHDSACASA-N 312.337 -0.206 30 20 DBED N#Cc1cnc(N[C@@H](CNC(=O)Cn2cncn2)C2CC2)cn1 1096677045 WNGPLEDGWHOQMP-LBPRGKRZSA-N 312.337 -0.053 30 20 DBED Cc1cc(C#N)nc(N[C@@H](C)CNC(=O)CS(C)(=O)=O)n1 1097699493 KNSROMBGGIGKKO-VIFPVBQESA-N 311.367 -0.382 30 20 DBED C=CCNCc1cn([C@H]2CCN(C(=O)CNC(=O)NC)C2)nn1 1098680323 DKWHKQDLZZRNJR-LBPRGKRZSA-N 321.385 -0.744 30 20 DBED CC(C)(C)NC(=O)CN1CC[C@H](NC(=O)C#CC2CC2)[C@H](O)C1 1099812552 FVQQIDLEGFSRRF-UONOGXRCSA-N 321.421 -0.134 30 20 DBED CC#CCN1CC[C@H](NC(=O)CCCNC(=O)C2CC2)[C@@H](O)C1 1099858939 UDPFAYNETBAFMG-GJZGRUSLSA-N 321.421 -0.133 30 20 DBED C=CCNC(=O)CNC1CC(CNC(=O)c2ccnn2C)C1 1100163993 HYZUAWQZAALYPL-UHFFFAOYSA-N 305.382 -0.180 30 20 DBED CN(CCNC(=O)[C@@H]1CCS(=O)(=O)C1)c1cnc(C#N)cn1 1100227354 RBSUELYRHDHYFB-SNVBAGLBSA-N 323.378 -0.665 30 20 DBED C#CCO[C@H](C)C(=O)NCC1CC(NCc2nc(O)n[nH]2)C1 1100322474 JYAZTQCZSKFDTE-KPPDAEKUSA-N 307.354 -0.467 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCC1CC(NCC(=O)NC(N)=O)C1 1100686830 UPYMNDQZJXEQJU-HCWSGVFWSA-N 324.381 -0.743 30 20 DBED CCCN(CCNC(=O)[C@H](C)NC(N)=O)c1cnc(C#N)cn1 1101139746 TZLQTQMGTGMALR-JTQLQIEISA-N 319.369 -0.262 30 20 DBED COCC#CCN1C[C@@H](C)[C@H](CNC(=O)Cn2cnnn2)C1 1101716512 BTJGNNNDCANGGW-CHWSQXEVSA-N 306.370 -0.993 30 20 DBED CC(C)[C@@H](O)C(=O)N1C[C@@H](C)[C@H](CCNCC(=O)NCC#N)C1 1104145796 ISIUJKFWCAPKBG-UMVBOHGHSA-N 324.425 -0.283 30 20 DBED C[C@H](CNc1nccnc1C#N)N(C)C(=O)[C@H]1CN(C)CCO1 1104538616 PGCHWHSDNMBUPV-DGCLKSJQSA-N 318.381 -0.062 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)[C@@H]1CCC(=O)N1 1104642430 CRQNDRZMJFFJFD-ZJUUUORDSA-N 302.338 -0.692 30 20 DBED CC(C)[C@H](CNC(=O)c1nnn(C)n1)N=c1cc[nH]c(C#N)n1 1105265878 GYIMGLRUVNHPSS-VIFPVBQESA-N 315.341 -0.840 30 20 DBED C#CCNCc1cn(C2CN(C(=O)c3cn(C)c(O)n3)C2)nn1 1105317050 GAPXXVWFKSMPMD-UHFFFAOYSA-N 315.337 -0.863 30 20 DBED CN(CCN(C)c1ccc(C#N)nn1)C(=O)[C@@H]1CCNC(=O)C1 1105358674 VKCRHSWOINFSBC-LLVKDONJSA-N 316.365 -0.231 30 20 DBED CNC(=O)NCC(=O)N(C)CCN(C)c1nc(C)cc(C#N)n1 1105592300 CPHHBPSTXFPHBR-UHFFFAOYSA-N 319.369 -0.520 30 20 DBED C#CCCCCC(=O)NC[C@@H](O)CNc1ccc2nnnn2n1 1105830703 KNBPYJQMGXTHPE-NSHDSACASA-N 317.353 -0.398 30 20 DBED CCO[C@H](C(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1)C(C)C 1105970724 MIQNYCWUVYPISQ-RISCZKNCSA-N 321.381 -0.280 30 20 DBED C=CCn1cc(C(=O)NC[C@H](O)CNc2ccc(C)nn2)nn1 1106131449 BMFIHNOPBJKANN-LLVKDONJSA-N 317.353 -0.235 30 20 DBED C[C@@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)[C@H]1C[C@H]1C(N)=O 1106569602 LMYKNUXMWZWWJA-AEJSXWLSSA-N 302.338 -0.802 30 20 DBED C=CCCN1CC(n2cc(CNC(=O)CCNC(N)=O)nn2)C1 1107235026 XNNMZKPPFAPIJL-UHFFFAOYSA-N 321.385 -0.615 30 20 DBED CN1C(=O)CC[C@@H]1C(=O)NC/C=C\CN=c1cc[nH]c(C#N)n1 1107482546 OXSNOGJISBDYSO-OTDNITJGSA-N 314.349 -0.525 30 20 DBED C[C@]1(C(=O)NC/C=C\CNc2ccc(C#N)nn2)CCNC1=O 1107508997 UKWLDUQQHNTDAI-MPNWYJEXSA-N 314.349 -0.041 30 20 DBED CCc1nc(C#N)cc(NC[C@@H](C)NC(=O)Cn2ncnn2)n1 1107942268 CXXWPBWEMGWLSR-SECBINFHSA-N 315.341 -0.486 30 20 DBED C=CCn1cc(C(=O)NC[C@@]2(C)CN(CCCO)CCO2)nn1 1108266559 OBPQPWFZOZWTDD-HNNXBMFYSA-N 323.397 -0.333 30 20 DBED C[C@@H](CNc1cncc(C#N)n1)NC(=O)[C@@H]1CCCS1(=O)=O 1108405782 RMIFKNSGXURZPK-ONGXEEELSA-N 323.378 -0.158 30 20 DBED Cc1cc(C#N)nc(NC[C@H](C)NC(=O)CCn2cnnn2)n1 1108484325 ZVBHKWBMRJFCQX-JTQLQIEISA-N 315.341 -0.350 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)C[C@@](C)(O)C=C)CC2=O)C1 1108538907 QFPWKVCBRNUAQH-WBMJQRKESA-N 307.394 -0.099 30 20 DBED CCC(=O)NCC(=O)N[C@H](C)CN(C)c1nccnc1C#N 1108879970 MDGMHYSHJUPQCP-SNVBAGLBSA-N 304.354 -0.185 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H](C)COC 1109057872 UZMHVUKOEKYFHG-MQYQWHSLSA-N 307.394 -0.260 30 20 DBED C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NC(=O)NC 1109075211 XTKHWEXOFRQTPI-WOPDTQHZSA-N 324.381 -0.634 30 20 DBED N#Cc1ccc(NC[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C2CC2)nn1 1109978407 QYAGZQKORFRJOF-WOPDTQHZSA-N 314.349 -0.224 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN(C)C(C)C 1110159381 NXADKSSKONWFHQ-ILXRZTDVSA-N 320.437 -0.203 30 20 DBED N#Cc1ccc(NC2(CNC(=O)C[C@@H]3CCNC3=O)CC2)nn1 1110250460 KDJFWWAKYLNUGW-JTQLQIEISA-N 314.349 -0.065 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCc1nnc(O)nc1O 1110761348 SKTBUAUXOQNRRY-JLLWLGSASA-N 317.349 -0.430 30 20 DBED CC(C)N(C)CC(=O)N(CCO)CCN=c1cc[nH]cc1C#N 1111481131 ZWSVPVBZTDSTLO-UHFFFAOYSA-N 319.409 -0.052 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)[C@H](C)NC(C)=O)CC1 1112603064 HACPYXGVHHPAIX-NWDGAFQWSA-N 310.398 -0.654 30 20 DBED CNC(=O)CC(=O)NC[C@@H]1CN(c2ncccc2C#N)C[C@@H]1O 1112709607 MADZIANWPGPDKH-NEPJUHHUSA-N 317.349 -0.997 30 20 DBED C#CCOCCC(=O)N1CCN(C[C@@H]2CCc3ncnn32)CC1 1112845067 SFRFHUPZAPPVNW-AWEZNQCLSA-N 317.393 -0.051 30 20 DBED C[C@H](C(=O)N1CCN(CC(=O)NCC#N)CC1)c1ccnn1C 1112862460 LKWYJEGZEVKXNB-LBPRGKRZSA-N 318.381 -0.692 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)CCCn2ccnn2)CC1 1112958970 WIJFHGBDJZEFNX-UHFFFAOYSA-N 320.397 -0.495 30 20 DBED CC(=O)N[C@H](C)C(=O)NC[C@@H](C)N(C)c1cncc(C#N)n1 1113507842 AJIVZOTXMBLJGJ-NXEZZACHSA-N 304.354 -0.186 30 20 DBED C=CCCOCC(=O)N1CCN(Cc2nc(=O)n(C)[nH]2)CC1 1113708096 VRJLKQOOKWZSRH-UHFFFAOYSA-N 309.370 -0.655 30 20 DBED CC(C)NC(=O)NCCN1C[C@H]2[C@H](NC(=O)[C@@H](C)C#N)[C@H]2C1 1114067860 XSLWIZGRTHBOPP-WUHRBBMRSA-N 307.398 -0.100 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1[C@@H]2CN(Cc3nncs3)C[C@@H]21 1114159526 HCADFXLSYYOEGI-MSRIBSCDSA-N 319.390 -0.776 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)CCn3ccnn3)[C@@H]2C1 1114187454 VUFXUSYMFVVOJE-VXGBXAGGSA-N 318.381 -0.983 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)C3(COC)CCC3)[C@H]2C1 1114584462 JLUPEOSIXGGDTP-NHAGDIPZSA-N 319.405 -0.401 30 20 DBED C=CCOCCN1C[C@H]2[C@H](NC(=O)[C@@H]3CN(C)C(=O)N3)[C@H]2C1 1114671803 JZZICAXCIFZFQT-QNWHQSFQSA-N 308.382 -0.741 30 20 DBED C=CCN1C[C@H]2[C@H](NC(=O)CCNC(=O)[C@@H]3CCCO3)[C@H]2C1 1115349966 KXOKDZRWDOVUFL-SFDCQRBFSA-N 307.394 -0.096 30 20 DBED C#CCNC(=O)C1CCN(C(=O)CN2CCCNC2=O)CC1 1116952129 RKMFEONVMAGVHC-UHFFFAOYSA-N 306.366 -0.610 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CC[C@H](CN(C)C)C1)[C@@H]1CCCO1 1116955189 LUFZIUYGIPTNAP-RDBSUJKOSA-N 307.394 -0.307 30 20 DBED COC[C@H]1CCN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1 1119005003 IYWVJGVJEDFQHO-JSGCOSHPSA-N 320.393 -0.320 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@]1(O)CCS(=O)(=O)C1 1119572528 KKKJCQULHWNOTP-GMXVVIOVSA-N 303.380 -0.367 30 20 DBED C#CCNC(=O)C1CCN(C(=O)C(=O)N(C)CCCF)CC1 1120457824 PEMQEHMSSXCNGP-UHFFFAOYSA-N 311.357 -0.208 30 20 DBED C#Cc1ccc(NC(=O)C(=O)N2CCN(CCO)CC2)cc1 1120938715 UGEZYBJFDSVLHJ-UHFFFAOYSA-N 301.346 -0.257 30 20 DBED Cc1nc(N[C@H](CO)CNC(=O)C#CC(C)C)nc(N(C)C)n1 1121528996 SAZOIAOOAJJVTK-LBPRGKRZSA-N 320.397 -0.206 30 20 DBED N#Cc1nc(=N[C@H](CO)CNC(=O)Cc2cncs2)cc[nH]1 1122152684 KBJMHRNGUUXROA-VIFPVBQESA-N 318.362 -0.642 30 20 DBED Cn1cncc1C(=O)NC[C@H](CO)Nc1ncccc1C#N 1122219539 XUOZPYHYDIEFQF-LLVKDONJSA-N 300.322 -0.110 30 20 DBED Cc1cc(C(=O)N(C)C[C@@H](O)CNc2nccnc2C#N)n[nH]1 1124097062 POWWRLUCXHTMQO-JTQLQIEISA-N 315.337 -0.075 30 20 DBED C=CCCC(=O)N(C)C[C@@H](O)CN(C)c1nccn2nnnc12 1124963474 OPICDLHDZXIRAQ-LLVKDONJSA-N 319.369 -0.259 30 20 DBED CC(C)(C)NC(=O)CNC(=O)CNCCNC(=O)C#CC1CC1 1126875106 ADUGUNYTBHRXJS-UHFFFAOYSA-N 322.409 -0.864 30 20 DBED C[C@H](NC(N)=O)C(=O)N(C)C1CC(Nc2cncc(C#N)n2)C1 1126919819 HIBRARLKOYEYNT-SILCLGDVSA-N 317.353 -0.194 30 20 DBED CC(C)[C@@H]1OCCC[C@@H]1C(=O)NCCNCC(=O)NCC#N 1127624582 ULKBVDBVJGRJBP-JSGCOSHPSA-N 310.398 -0.217 30 20 DBED COCCOCC(=O)NCc1cnn2c1CN(CC#N)CC2 1128274136 PITFAGCAVDJFJL-UHFFFAOYSA-N 307.354 -0.499 30 20 DBED C=C(C)CCC(=O)N[C@@H]1CN([C@@H](C)C(N)=O)C[C@@H]1n1ccnn1 1129025917 WDZUKVORZPLSQM-XQQFMLRXSA-N 320.397 -0.150 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)C1(N(C)C)CCC1 1129350654 CYIGYCIKHJWMLJ-UHFFFAOYSA-N 323.441 -0.061 30 20 DBED C=CCCC(=O)N1C[C@H](n2ccnn2)[C@H](NCC(=O)N(C)C)C1 1129666756 HHENOHOJMSRKGY-OLZOCXBDSA-N 320.397 -0.326 30 20 DBED C=CCN1CC[C@H](c2n[nH]cc2CNC(=O)CNC(=O)NC)C1 1130392647 RWCMESGOKUDVIJ-NSHDSACASA-N 320.397 -0.070 30 20 DBED C#CCN1CCOC[C@@H]1c1n[nH]c(CNC(=O)[C@H](O)C(C)C)n1 1130843882 ZZSUMNCDBSIVHU-DGCLKSJQSA-N 321.381 -0.556 30 20 DBED C=C[C@@](C)(O)CC(=O)N1C[C@@H]2C[C@@H]3CN(CCCO)C[C@]2(C1)O3 1131220277 KDUBMKNXSCXXSP-XOSAIJSUSA-N 324.421 -0.002 30 20 DBED CC(=O)N(C)CC(=O)N1CCC([C@@H]2OCC[C@H]2NCC#N)CC1 1131429724 TWBSMUPLVRAHSF-ZBFHGGJFSA-N 322.409 -0.026 30 20 DBED C[C@@H]1CN(C(=O)CSCC#N)C[C@@]2(CCN(CCO)C2)O1 1131638467 MVODWHRCYXVGTH-OCCSQVGLSA-N 313.423 -0.073 30 20 DBED C[C@H]1CCN(C(=O)Cn2c(O)nnc2O)C[C@H]1CNCC#N 1133270509 JNCKKRCKUJXJAC-VHSXEESVSA-N 308.342 -0.713 30 20 DBED C#CCCN[C@H](C)C[C@@H](C)NC(=O)CNS(=O)(=O)CC 1134499468 DBPHNUUDSUDQOU-VXGBXAGGSA-N 303.428 -0.178 30 20 DBED COc1ccc(F)cc1CC(=O)NCCNCC(=O)NCC#N 1135600369 UELHJVOXNYGUGM-UHFFFAOYSA-N 322.340 -0.278 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1cn(CCC)nn1 1135972981 NEXCZWDHDKFTHI-NSHDSACASA-N 306.370 -0.855 30 20 DBED C#CCCN1CCC2(C1)CN(C(=O)CCCS(N)(=O)=O)C2 1148188248 HXDKCGBIJRBWSX-UHFFFAOYSA-N 313.423 -0.387 30 20 DBED C=CCNC(=O)CN(CC)[C@H](C)CNC(=O)[C@H](C)CC(N)=O 1154595689 DZNLGIHOKLLCPB-VXGBXAGGSA-N 312.414 -0.373 30 20 DBED C=C(Br)CNCCCNC(=O)Cn1ncnn1 1158162839 BSWNLJHWTSKMSA-UHFFFAOYSA-N 303.164 -0.322 30 20 DBED COCC1(CNC(=O)C#CC(C)C)CCN(CC(N)=O)CC1 1162259372 OZBZSZCFCABQKC-UHFFFAOYSA-N 309.410 -0.024 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1cc(C)nc(OC)c1 1165214706 UCEDCAATFCJVOC-UHFFFAOYSA-N 318.377 -0.142 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)c1cn(CC)nn1 1169586280 VHLVOYABHNPVAA-LLVKDONJSA-N 308.386 -0.302 30 20 DBED C=CCNCCCC[C@@H](C)NC(=O)CNC(=O)CNC(C)=O 1171563760 ZTXDBUQWQBTCEQ-GFCCVEGCSA-N 312.414 -0.311 30 20 DBED C=CCNCCCC[C@H](C)NC(=O)c1cn(CC(N)=O)nn1 1176754613 WSPQDLMNEMIHLM-NSHDSACASA-N 308.386 -0.172 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)c2nonc2C)C1=O 1177434969 DUKUGJSDTVMIHT-LLVKDONJSA-N 307.354 -0.126 30 20 DBED CC#CCN[C@H]1CCN(C(=O)CCn2ncn(C)c2=O)[C@H]1C 1179213769 HWASXAMFRLYZDE-STQMWFEESA-N 305.382 -0.426 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H]2CN(CC#CCOC)C[C@H]21 1187605310 DAPZYACOUAPWML-LSDHHAIUSA-N 317.389 -0.692 30 20 DBED C#CCOCCC(=O)N1CC[C@H]2CN(CC(=O)NCC)C[C@H]21 1187874343 SLFPVJIFINGOBL-UONOGXRCSA-N 307.394 -0.305 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](N(C)CCN(C)S(C)(=O)=O)C1 1189390622 SCWSKAZSLKBIKA-VXGBXAGGSA-N 316.427 -0.430 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)[C@@H]2CN(C)CCO2)C1 1189515956 DKGDOOZMIKJIDQ-KBPBESRZSA-N 324.425 -0.848 30 20 DBED N#CCSCC(=O)N[C@@H]1CN(C[C@H]2CCCOC2)C[C@H]1O 1191162252 OZAMNRJUJGBNHJ-JHJVBQTASA-N 313.423 -0.169 30 20 DBED CN(CC(=O)NCC#N)[C@H]1CCN(C(=O)C23CCN(CC2)C3)C1 1193468919 KHOLWSCWUCFSIC-ZDUSSCGKSA-N 319.409 -0.745 30 20 DBED C#CCCN(C)[C@@H]1CCN(C(=O)CN2C(=O)CN(C)C2=O)C1 1193897315 MHPRTNDTRAILNT-GFCCVEGCSA-N 306.366 -0.564 30 20 DBED C=C[C@@H](CC)CC(=O)N[C@@H]1CN(Cc2nc(O)n[nH]2)C[C@H]1O 1195567206 LUAMJZSXYBYSFC-HBNTYKKESA-N 309.370 -0.226 30 20 DBED C=C1CCC(C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@H]2O)CC1 1195881856 RGHTVMTVBBCCDE-ZIAGYGMSSA-N 320.393 -0.466 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)CNC(=O)CCC(C)C)C1 1196985745 OERXJNFZAFVDIW-ZIAGYGMSSA-N 309.410 -0.277 30 20 DBED CC[C@@H](C(=O)N1CCCN(CC(=O)NCC#N)CC1)N(C)C 1197172184 IEHSTWADZQNALP-ZDUSSCGKSA-N 309.414 -0.499 30 20 DBED N#CCSCC(=O)N1CCC(NCc2nc(O)n[nH]2)CC1 1199387692 NDRFRLBLIOSXAZ-UHFFFAOYSA-N 310.383 -0.152 30 20 DBED CC1(C(=O)N2CCCO[C@@H](CNCC(=O)NCC#N)C2)CC1 1200561480 DXFANEKXYADRQP-LBPRGKRZSA-N 308.382 -0.367 30 20 DBED N#CCNC[C@@H]1CN(C(=O)C[C@@H]2CCCC(=O)N2)CCCO1 1200931189 RENZOTCMAUJUJF-QWHCGFSZSA-N 308.382 -0.224 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)c2ccncn2)CC1 1203015864 JQYNOUHHFXVEFR-UHFFFAOYSA-N 303.366 -0.027 30 20 DBED Cn1ncnc1COCC(=O)N[C@H]1C[C@@H](NCC#N)C12CCC2 1203557487 NYTJNPUJEKESGV-NEPJUHHUSA-N 318.381 -0.128 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)[C@H]2COCCO2)[C@H](C)C1 1206155521 PCEBEIDRNRWEEU-JHJVBQTASA-N 311.382 -0.860 30 20 DBED C=CCOCCN1C[C@@H](NC(=O)Cn2cnnc2O)[C@H](C)C1 1206884170 ZWHQVSMEILUVGT-VXGBXAGGSA-N 309.370 -0.377 30 20 DBED C#CCNCC1CCN(C(=O)[C@@H]2COCCN2C(C)=O)CC1 1206937511 DZCQXCROXUYKHU-HNNXBMFYSA-N 307.394 -0.305 30 20 DBED N#CCNC(=O)CN[C@H]1CCCN(C(=O)CC2(O)CCC2)C1 1207989444 NSBDOQNMZVRFME-LBPRGKRZSA-N 308.382 -0.488 30 20 DBED COCC#CCN[C@@H]1CCCN(C(=O)C[C@@H](C)NC(N)=O)C1 1208042497 SVPZTKOWHIUBOJ-CHWSQXEVSA-N 310.398 -0.336 30 20 DBED C#CCN[C@@H]1CCCN(C(=O)CN(C)CC(=O)NC(C)C)C1 1208494561 AUACXIWHFDFKLE-CQSZACIVSA-N 308.426 -0.343 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)CC(=O)N(C)C)[C@H](C)C1 1209284090 WPIXHIFRBHSCHL-FRRDWIJNSA-N 322.409 -0.961 30 20 DBED CC[C@@H](NC(C)=O)C(=O)N1CCC[C@H](NCC(=O)NCC#N)C1 1209743336 CBGLUHHOKSRZON-QWHCGFSZSA-N 323.397 -0.879 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)CCCCC(N)=O)C1 1210577046 WLUOFTUSIQKIFG-ZDUSSCGKSA-N 324.425 -0.085 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1OC 1213268155 FOYKKWLZDDBGDJ-NXEZZACHSA-N 312.370 -0.791 30 20 DBED C[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1NCC(=O)NCC#N 1215536043 FLTOWMOZMGNCBT-MGPQQGTHSA-N 321.425 -0.453 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@]2(C)CCOC2)C[C@H]1C 1216064439 ARVWQJMKJWSIKB-IOASZLSFSA-N 307.394 -0.401 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)c2ccc(C#C)nc2)C[C@H]1C 1216448448 RMUKXJHDRDASDW-CZUORRHYSA-N 324.384 -0.138 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CCCCC(N)=O 1218936754 QJKWUBMSWJFBCR-UONOGXRCSA-N 307.394 -0.033 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)[C@H](C)n2cccn2)C1 1219216021 AXCJEGAZGXZVLU-MJBXVCDLSA-N 306.366 -0.745 30 20 DBED C=CCC[C@H](C)N1C[C@H](O)[C@H](NC(=O)C2CN(C(C)=O)C2)C1 1219513238 OBLIPSNHXBJZPA-GLQYFDAESA-N 309.410 -0.019 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2ncc(C)o2)C[C@@H]1O 1219605482 TVVLOJBBPMEOBY-UPJWGTAASA-N 307.350 -0.317 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)[C@@H](C)NC(=O)CC(F)(F)F)C1 1219682151 CQMXHTJLQZJYDO-BBBLOLIVSA-N 323.315 -0.209 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)CNC(=O)CC2CCCC2)C1 1220545551 FDQFDWOTIGCRDS-KGLIPLIRSA-N 307.394 -0.523 30 20 DBED C#CCOCCC(=O)N1C[C@H]2CCN(Cc3ncnn3C)C[C@H]21 1221544993 RBKYLZKHOGFMIC-ZIAGYGMSSA-N 317.393 -0.112 30 20 DBED COCC#CCN1CC[C@@H]2CN(C(=O)C[C@@H]3CCNC3=O)[C@@H]2C1 1221615388 GJHCFVZMZSRSPR-RRFJBIMHSA-N 319.405 -0.305 30 20 DBED C#CCCN1CCC(CNC(=O)Cn2ccc(O)nc2=O)CC1 1223757821 JEMASHPPRYEKRW-UHFFFAOYSA-N 318.377 -0.200 30 20 DBED C=CCOCCN1CCS(=O)(=O)[C@@H](CCNC(C)=O)C1 1230403635 CFXYAFXEPKZLHD-ZDUSSCGKSA-N 304.412 -0.186 30 20 DBED C=C(C)Cn1nnnc1N(CCOC)[C@@H]1CCS(=O)(=O)C1 1262211350 BPSYDCXUELTMMQ-LLVKDONJSA-N 315.399 -0.111 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@H](NC(=O)c2cn(CC)nn2)C1 1318291012 IKEGKMFXZMRHOQ-NEPJUHHUSA-N 318.381 -0.760 30 20 DBED C=CCN(C(=O)[C@@H](C)CS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1318941031 WUBJZNORIRRJHA-WDEREUQCSA-N 323.436 -0.131 30 20 DBED CC(=O)N1CCC(NC(=O)C(=O)N2CC[C@@](F)(C#N)C2)CC1 1321369637 FCVCIUPROYBZDG-CQSZACIVSA-N 310.329 -0.422 30 20 DBED C#C[C@@H](C)N(C)C(=O)C(=O)Nc1cnn(CC(=O)OC)c1C 1321570608 ZFYAXZGTULFNPK-SECBINFHSA-N 306.322 -0.217 30 20 DBED Cn1cc(CCCNC(=O)NCCn2cnc(C#N)n2)cn1 1323827381 LAFDWJTZIGHAQY-UHFFFAOYSA-N 302.342 -0.185 30 20 DBED C=C(C)CN(CC)C(=O)C(=O)NCC(C)(C)NS(C)(=O)=O 1324547570 VSEYZQQCBYCLGK-UHFFFAOYSA-N 319.427 -0.145 30 20 DBED C=C(CC)CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 1327757252 FPEKVKAVPSMQGP-CYBMUJFWSA-N 323.393 -0.081 30 20 DBED C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCO[C@H](C#N)C1 1327822219 NBQPDNCLTGRTNY-HZSPNIEDSA-N 322.409 -0.026 30 20 DBED CN(C)c1cccc(CNC(=O)C(=O)N2CCO[C@H](C#N)C2)n1 1329496461 YPJXSNFHWLBUNU-GFCCVEGCSA-N 317.349 -0.485 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)N2CCN(C3CCCC3)CC2)CCO1 1330947880 JBACXSVHCORDSA-AWEZNQCLSA-N 320.393 -0.176 30 20 DBED C=C[C@](C)(O)C(=O)Nc1nn(C)cc1CNC(=O)[C@](C)(O)C=C 1334373614 RDJXEDKKIBFSTB-CABCVRRESA-N 322.365 -0.151 30 20 DBED C=CCn1c(N(C)CCC(=O)NC)nnc1[C@@](C)(O)COC 1338981107 KXFFDBJKXHWULA-AWEZNQCLSA-N 311.386 -0.110 30 20 DBED CN(C[C@@H](O)C1CC1)C(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1348619515 YDRMJXAUEJDXJP-UONOGXRCSA-N 320.393 -0.586 30 20 DBED C#CCN(C)CCCNC(=O)NC[C@H](C)N1CCN(C)CC1 1351994364 AKLQBZSKMYGVAG-HNNXBMFYSA-N 309.458 -0.123 30 20 DBED CN1CC[C@@H]1CNC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1354907188 WKMXINUGRKNNKE-CHWSQXEVSA-N 305.382 -0.995 30 20 DBED N#CC1CCN(C(=O)c2cn(C[C@@H]3CNC(=O)O3)nn2)CC1 1361988444 LCWFSKDDZGRZFV-JTQLQIEISA-N 304.310 -0.238 30 20 DBED COCc1ccc(C(=O)NCCn2cc(C#N)c(O)nc2=O)o1 1364109945 USDGORGBZSBQDZ-UHFFFAOYSA-N 318.289 -0.010 30 20 DBED N#Cc1ccc([C@@H](C(N)=O)N2CCn3c(CO)nnc3C2)cc1 1365272029 MCYRRAYIWYDYBK-AWEZNQCLSA-N 312.333 -0.316 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N[C@H]1CCc2nnnn2CC1 1365715171 KFSFYUIEJCQNQR-UWVGGRQHSA-N 313.387 -0.696 30 20 DBED C[C@@H](C#N)C(=O)NCCN1CCN(CCNC(=O)C2CC2)CC1 1376081618 PGWIKBWDHKCFFA-ZDUSSCGKSA-N 321.425 -0.594 30 20 DBED COCCn1cc(C(=O)N(C)C[C@H](C)NC(=O)[C@@H](C)C#N)nn1 1381995775 YUJULROVQPXXHJ-QWRGUYRKSA-N 322.369 -0.339 30 20 DBED C[C@H](CCNC(=O)Cn1ccc(O)nc1=O)NC(=O)[C@H](C)C#N 1387519824 YMROMCOQBPPUKI-NXEZZACHSA-N 321.337 -0.880 30 20 DBED CCS(=O)(=O)CC(=O)N1CC[C@@H](N(C)C(=O)[C@H](C)C#N)C1 1396801524 XYPNBCMKEDYEKQ-GHMZBOCLSA-N 315.395 -0.360 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1cnc(C2CC2)o1 1399874794 WPXSOIVHYKPNHH-WCBMZHEXSA-N 306.322 -0.081 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]1CNC(=O)CCn1cnccc1=O 1400486743 QMVANGKWHKVOOG-VXGBXAGGSA-N 317.349 -0.490 30 20 DBED Cc1noc(CNC[C@H](O)CNC(=O)c2cc(C#N)c[nH]2)n1 1406201542 DRCWRSSFQFJIDT-JTQLQIEISA-N 304.310 -0.542 30 20 DBED N#Cc1ccccc1CNC[C@@H](O)CNC(=O)[C@H]1COC(=O)N1 1406216859 MOBILTVBOCHBHB-CHWSQXEVSA-N 318.333 -0.767 30 20 DBED C[C@@H]1CN(C(=O)CN2CCN(C(=O)[C@H](C)C#N)CC2)CCO1 1415821758 ZNWFZRPDKPRTQB-CHWSQXEVSA-N 308.382 -0.462 30 20 DBED COC[C@H](OC)C(=O)NCC1CN(C(=O)c2cc(C#N)c[nH]2)C1 1416127819 FMPLHDQVYJMZAT-ZDUSSCGKSA-N 320.349 -0.264 30 20 DBED Cn1c(NCCc2ccc(O)nc2)c(C#N)c(=O)n(C)c1=O 1421167666 LUKATTDXCVUZRG-UHFFFAOYSA-N 301.306 -0.289 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)c2ccc(C(N)=O)nc2)C1 1428223511 SIHUFJOXEPLAQZ-LSJOCFKGSA-N 315.333 -0.283 30 20 DBED Cn1cnc(CNC(=O)NCCn2cc(C#N)c(O)nc2=O)c1 1428386306 VOZGAJBTSBCFRR-UHFFFAOYSA-N 317.309 -0.947 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]1CN(C)C(=O)C1(NC(N)=O)CC1 1428996829 PQBXTSIQYZITBP-NXEZZACHSA-N 307.354 -0.594 30 20 DBED C[C@H](C#N)C(=O)N(CCNC(=O)CCN1CCOCC1)C1CC1 1429923438 LETVAMPGHXSPRK-CYBMUJFWSA-N 322.409 -0.024 30 20 DBED CC[C@H](CNC(=O)CS(=O)(=O)CC)NC(=O)[C@@H](C)C#N 1432711936 ITWJUTUZXSBFMW-VHSXEESVSA-N 303.384 -0.408 30 20 DBED CC(C)(C)C(=O)CNC(=O)CCn1cc(C#N)c(O)nc1=O 1446189614 YRFRXYFQJAJQEY-UHFFFAOYSA-N 306.322 -0.058 30 20 DBED CCCN1C[C@H](C(=O)N(C)CCNC(=O)[C@H](C)C#N)CC1=O 1449187740 KKKCBMSGJVSOQM-VXGBXAGGSA-N 308.382 -0.021 30 20 DBED Cc1cc(CC(=O)NC[C@]2(O)CCN(C(=O)[C@H](C)C#N)C2)no1 1454090506 YAOMNUJJBCWERD-MEBBXXQBSA-N 320.349 -0.235 30 20 DBED CS[C@H](C)C(=O)NC[C@@H](O)CNC(=O)c1ccc(C#N)[nH]1 1457909135 DUXLWZXLIQKAPE-PSASIEDQSA-N 310.379 -0.155 30 20 DBED CC[C@@H](C)NC(=O)[C@H](C)NC(=O)Cn1cc(C#N)c(O)nc1=O 1464643172 NPXWYNCYXPZWDM-BDAKNGLRSA-N 321.337 -0.760 30 20 DBED C[C@H]1CN(C(=O)Cn2cc(C#N)c(O)nc2=O)C[C@@H](C)[S@]1=O 1466887065 FECXTSACDZDXKP-VDKUODGRSA-N 324.362 -0.812 30 20 DBED CN(CCNC(=O)c1cc(C#N)c[nH]1)C[C@@H](O)Cn1cccn1 1480852920 OWMDBMFLJANVBJ-CYBMUJFWSA-N 316.365 -0.194 30 20 DBED CC(=O)NCC(=O)NC[C@@H]1CCN1C(=O)c1c[nH]c(C#N)c1 1534650307 BLBYTWWKEODEHS-LBPRGKRZSA-N 303.322 -0.647 30 20 DBED N#CCc1ccc(CNC(=O)Cn2cnc(-c3nn[nH]n3)n2)cc1 1570930193 FTHMUIUIYCWALI-UHFFFAOYSA-N 323.320 -0.159 30 20 DBED N#Cc1ccc(N2CCN(C(=O)[C@H]3C[C@H]3C(=O)O)CC2)nn1 1571074309 FXRHCNJNFREHLP-WDEREUQCSA-N 301.306 -0.282 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](C)CNc1cncc(-c2nn[nH]n2)n1 1574835449 HFKWLLSOYQZBPF-BDAKNGLRSA-N 315.341 -0.019 30 20 DBED Cc1c(C#N)c(=O)n(Cc2ccccc2-c2nn[nH]n2)c(=O)n1C 1580526305 QUXHZOIYRGKEAG-UHFFFAOYSA-N 323.316 -0.045 30 20 DBED C#CCN(CC(=O)O)c1nnc([C@@](C)(O)c2ccncc2)n1C 1588426930 HHNYJVVHJCMZNS-HNNXBMFYSA-N 315.333 -0.010 30 20 DBED C#CC[C@@H](NS(=O)(=O)c1cnn(CCOC)c1)C(=O)O 1588428367 LZQFDPOOJOZYKO-SNVBAGLBSA-N 301.324 -0.716 30 20 DBED C=C(C)CNC(=N)NCCCc1[nH]nc(N)c1-c1nn[nH]n1 1588430804 SYPXLHMCKQNUGA-UHFFFAOYSA-N 304.362 -0.205 30 20 DBED C=CCOCCN1CC(NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1588683134 NSQZNQHQUMXPJA-UHFFFAOYSA-N 317.353 -0.189 30 20 DBED C=CCOC[C@@H](NS(=O)(=O)C[C@H](C)C(=O)OC)C(=O)O 1588867269 YRLWOISBQIVNRL-DTWKUNHWSA-N 309.340 -0.629 30 20 DBED COC(=O)CN(CC(=O)O)C[C@@H](O)COc1ccccc1C#N 1598863700 WCUFBJFWCLVEME-GFCCVEGCSA-N 322.317 -0.142 30 20 DBED N#Cc1ccc(N2CCN(C(=O)COCC(=O)O)CC2)cn1 1601104335 FVAHYHDNFUZZOO-UHFFFAOYSA-N 304.306 -0.297 30 20 DBED N#Cc1ccc(S(=O)(=O)N[C@H]2CCCNC2=O)c(C(=O)O)c1 1601113208 MDQLWFWQGPNESC-JTQLQIEISA-N 323.330 -0.187 30 20 DBED C#CCN(CC(=O)O)C(=O)C(=O)Nc1ccc(C#N)c(C)n1 1602678864 IFGXWANFFLOKHI-UHFFFAOYSA-N 300.274 -0.253 30 20 DBED C#CCN(CC(=O)O)c1nnc([C@H]2CCC(=O)N2)n1CCOC 1602701051 UERDARXPNOLKAD-SNVBAGLBSA-N 321.337 -0.600 30 20 DBED N#C[C@]1(C(=O)N[C@@H]2CCCCN(CC(=O)O)C2=O)CCCOC1 1605577111 WXUJOZRWDHLCOR-IAQYHMDHSA-N 323.349 -0.111 30 20 DBED N#Cc1cccc([C@H](C(=O)O)N2C[C@@H](C(N)=O)[C@H](C(N)=O)C2)c1 1608215877 SLLWOEQWKXKVJP-IJLUTSLNSA-N 316.317 -0.797 30 20 DBED C#CCN(C)CCCNC(=O)N1CCN(C)C[C@H](C(=O)O)C1 1609137452 VRRIMSTWFIRVSR-ZDUSSCGKSA-N 310.398 -0.401 30 20 DBED COc1cc(C#N)ccc1OCC(=O)NCc1nc(=O)o[nH]1 1647116993 PKQLXNQYUAZCNL-UHFFFAOYSA-N 304.262 -0.062 30 20 DBED Cn1cnn(CC(=O)[C@@H](C#N)c2nnc3n2CCCCC3)c1=O 1649151508 HWUJFCLXEQHDRE-SNVBAGLBSA-N 315.337 -0.224 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCCN(C)[C@H]1CCN(C)C1=O 1751992174 QMPPTGAKYSPSAB-GJZGRUSLSA-N 320.437 -0.247 30 20 DBED C=CCN1CC[C@@H](N[C@H](C)CNC(=O)Cc2ccn(C)n2)C1=O 1752872133 APZSBQFCJTYCCR-TZMCWYRMSA-N 319.409 -0.156 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H](C)CCNC(=O)c1cc[n+]([O-])cc1 1753002213 ZMGRMVFEUALRQN-CHWSQXEVSA-N 318.377 -0.444 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC[C@H]1CNC(=O)CCN(C)C 1753111386 HSLREBKTQDTIME-KGLIPLIRSA-N 308.426 -0.343 30 20 DBED C#CCCNC/C=C/CNC(=O)C1(n2cnnn2)CCOCC1 1754180719 GNGUEWIZFKXBDQ-SNAWJCMRSA-N 318.381 -0.536 30 20 DBED CC(C)NC(=O)CN(C)CC(=O)N1CC[C@@H](NCC#N)C[C@@H]1C 1754595680 AUGBPLYSQKOARS-UONOGXRCSA-N 323.441 -0.065 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)CCn2cncn2)CCO1 1754996480 YNHLOROMWKBUTL-CQSZACIVSA-N 321.381 -0.865 30 20 DBED C=CCNC(=O)CN(C)C[C@H]1CCCN1C(=O)c1cn(C)nn1 1755192006 XQRRASLSGLGENS-GFCCVEGCSA-N 320.397 -0.346 30 20 DBED CNC(=O)NCC(=O)N1CCC[C@H]([C@@H]2CCN(CC#N)C2)C1 1755205554 UCFOHIOEPIULEN-QWHCGFSZSA-N 307.398 -0.001 30 20 DBED CC#CCN[C@H](C)CN(C)C(=O)CN(C)CC(=O)NC(C)C 1755595146 ZJTMMHQBQQOWOA-CQSZACIVSA-N 310.442 -0.097 30 20 DBED CCN(CCC#N)C(=O)CN[C@H](CO)CNC(=O)C#CC(C)C 1755627757 LKUSETHDKOTLIV-AWEZNQCLSA-N 322.409 -0.525 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H](CO)NCC(=O)NC(C)C)cc1 1755634865 QKEBXHPHBQIQEG-HNNXBMFYSA-N 317.389 -0.127 30 20 DBED C[C@@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)c1cnns1 1755662572 MJAUDNBRLUCIKU-BDAKNGLRSA-N 308.367 -0.630 30 20 DBED Cn1cnc(C(=O)NCC2CC(NC(=O)CSCC#N)C2)n1 1755929815 ZEIPVWPKFCGNLG-UHFFFAOYSA-N 322.394 -0.304 30 20 DBED C#CCCCC(=O)NC[C@H](CO)NC(=O)Cc1n[nH]c(C)n1 1756515718 OKKVONQQCYCTBP-LLVKDONJSA-N 307.354 -0.948 30 20 DBED Cc1c(C(=O)N[C@@H](CO)CNC(=O)C#CC2CC2)ccn1C 1756519323 FNIAMKCMBFFGAD-CYBMUJFWSA-N 303.362 -0.046 30 20 DBED CC#CCCCC(=O)N[C@H](CO)CNC(=O)c1cccnn1 1756546003 VGQGPHXMSDGVTR-LBPRGKRZSA-N 304.350 -0.123 30 20 DBED COc1ccc(C=Nn2cnn(C)c2=O)c(OCC(=O)O)c1 1776112585 BBOQOACUSJXVQC-UHFFFAOYSA-N 306.278 -0.064 30 20 DBED C#CCNC(=O)CNS(=O)(=O)c1cc(C(=O)O)cs1 1776134734 KWRKOMBPQRFQIR-UHFFFAOYSA-N 302.333 -0.526 30 20 DBED C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3cccnn3)C2)C1 1779464298 FWUUEOARBPVUFG-OAHLLOKOSA-N 300.318 -0.447 30 20 DBED C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CCC(=O)NC1 1792664078 XDRYRMQFQMECRP-RVMXOQNASA-N 303.362 -0.216 30 20 DBED C#CCNC(=O)COC(=O)CCNS(=O)(=O)c1ccccc1 7943580 HAQYHORBPGFUKN-UHFFFAOYSA-N 324.358 -0.352 30 20 DBED C[C@@H](C(=O)N(C)CCC#N)N1CCC[C@H](NS(C)(=O)=O)C1 52670520 CLSIYUIHXMEPSE-RYUDHWBXSA-N 316.427 -0.239 30 20 DBED CN/C(=N\CCC1(C)OCCO1)NCCN1CCOCC1 183830946 BPWLOMIBVXKAOA-UHFFFAOYSA-N 300.403 -0.363 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)c2cccn2C)CC1 264913819 NWCDFXFHNACCNX-UHFFFAOYSA-N 302.378 -0.078 30 20 DBED CCn1cc(C#N)c(=O)n(CCCOC(=O)NC(N)=O)c1=O 265018401 QDKKKQFEOXMYJU-UHFFFAOYSA-N 309.282 -0.903 30 20 DBED C#Cc1cccc(NC(=O)CNC(=O)[C@@H]2CC[C@@H](C(N)=O)O2)c1 276386373 FIQOFOTXYBJICO-STQMWFEESA-N 315.329 -0.245 30 20 DBED C=C[C@@H](CO)NC(=O)C(=O)Nc1cccc(OCC(=O)OC)c1 290130865 TWZQAJOEYNHDKU-JTQLQIEISA-N 322.317 -0.160 30 20 DBED C=C[C@@H](CO)NC(=O)c1ccnc(C(=O)N[C@@H](C=C)CO)c1 290719059 XMLNWBYZBQZNEU-RYUDHWBXSA-N 305.334 -0.365 30 20 DBED C=CCNC(=O)CNC(=O)N1C[C@@H](C)S(=O)(=O)[C@H](C)C1 292412058 NLXTUNMBCRSSBG-NXEZZACHSA-N 303.384 -0.494 30 20 DBED C#CCN(C)CCCNC(=O)[C@](C)(O)Cn1c(C)cccc1=O 294087371 XFHVLUFYDZGCEZ-QGZVFWFLSA-N 319.405 -0.021 30 20 DBED C#CCN1CCC(C(=O)N2CCN(CC(=O)NC)CC2)CC1 299172051 YGESNAPPSRSHLB-UHFFFAOYSA-N 306.410 -0.778 30 20 DBED CC(C)N/C(N)=N/CCC(=O)N1CCN(c2ncccn2)CC1 303979256 NAAHVLLGHYNMMQ-UHFFFAOYSA-N 319.413 -0.172 30 20 DBED CCS(=O)(=O)C[C@H](C)N/C(O)=N/C[C@H]1CN(C)CCO1 330762874 PKGVNENMGBGHML-QWRGUYRKSA-N 307.416 -0.356 30 20 DBED CN(CCO)C(O)=Nc1ccc(S(=O)(=O)N(C)C)cn1 331208997 WIAUQKWKGDGMCS-UHFFFAOYSA-N 302.356 -0.199 30 20 DBED C[C@H]1CN(C(=O)Cn2cnc(C#N)n2)C[C@@]2(CCCOC2)O1 333260827 MAXFBFOQQZTQAF-SMDDNHRTSA-N 305.338 -0.054 30 20 DBED CCOC(=O)CN(CCOC)S(=O)(=O)N(CC)CCC#N 336902239 CFUNQYSLOHFSHV-UHFFFAOYSA-N 321.399 -0.022 30 20 DBED CCN(CCC#N)S(=O)(=O)N[C@H](C)CN1CCN(C)CC1 337090810 KGXVQYKTEFKVHZ-CYBMUJFWSA-N 317.459 -0.308 30 20 DBED CC[C@@]1(CO)CCCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)C1 337161939 VDFOTYIOSOFRKY-QWHCGFSZSA-N 317.411 -0.060 30 20 DBED C=C(C)CN(C)C(=O)C(=O)N[C@H]1CCc2nc(COC)nn2C1 346486482 NSXCCGUXQRBFKT-NSHDSACASA-N 321.381 -0.110 30 20 DBED CC(C)[C@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N(C)C 349580234 ZATFSGSDANOYMY-JTQLQIEISA-N 311.429 -0.265 30 20 DBED COC(=O)[C@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)[C@H](C)O 353855019 AGDLHSWNPHVZLF-TVQRCGJNSA-N 319.317 -0.673 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCN(C)[C@H](C)C2)C1=O 357415661 NRVXFLNGUOTEPM-MNOVXSKESA-N 322.365 -0.438 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCN[C@@H](C)C2)CC1 358866871 SAZXHAHOMSZGIV-KBPBESRZSA-N 308.426 -0.179 30 20 DBED C=C[C@@H](CO)NC(=O)N[C@H]1CCCN(S(=O)(=O)C2CC2)C1 359573260 UZGUMPHFISXIDF-QWRGUYRKSA-N 317.411 -0.211 30 20 DBED COC(=O)[C@H]1CN(S(=O)(=O)N(C)C[C@@H](C)C#N)C[C@@H](C)O1 367025758 DTTRILPHVMHKPE-HBNTYKKESA-N 319.383 -0.415 30 20 DBED C=CCNC(=O)NC(=O)CN1CC[C@H](OC)C[C@H]1C(=O)OC 370349455 QORLXGPMRSFIMH-QWRGUYRKSA-N 313.354 -0.349 30 20 DBED Cn1ccc(=O)n(C[C@H](O)COc2ccc(C#N)cc2)c1=O 402409658 PVWMVJSUVJQMOL-LBPRGKRZSA-N 301.302 -0.141 30 20 DBED CCC(=O)N1CC[C@H](NS(=O)(=O)N(C)C[C@@H](C)C#N)C1 407952584 IMRWDMQZRLIHKK-QWRGUYRKSA-N 302.400 -0.077 30 20 DBED COC(=O)c1coc(S(=O)(=O)N2CC(O)(CC#N)C2)c1 440077753 UZZXFCXZLTVTSU-UHFFFAOYSA-N 300.292 -0.285 30 20 DBED COC(=O)Cn1cc(CNC(=O)c2ccc(C#N)c(O)c2)nn1 442667931 BVRSUYNVFWMPBN-UHFFFAOYSA-N 315.289 -0.042 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)CNCC(F)(F)F)CC1 491141739 BQKSYVZVKXZRGD-UHFFFAOYSA-N 320.315 -0.968 30 20 DBED C#CCN1CCN(C(=O)CN2CCOC[C@@H]2CCOC)CC1 491781867 KZMMVPITWKTZSO-HNNXBMFYSA-N 309.410 -0.499 30 20 DBED CS(=O)(=O)N1CC[C@H](NS(=O)(=O)CCCCC#N)C1 514865674 LBLLLSNFMLXDTL-JTQLQIEISA-N 309.413 -0.366 30 20 DBED C=CCC[C@H](CO)NC(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 519653829 OPUWBAQJFNKTNN-GHMZBOCLSA-N 305.400 -0.353 30 20 DBED C[C@H](O)C(=O)N1CCN(Cc2cnc3c(C#N)cnn3c2)CC1 566855984 IFFLVYCUVXJBRN-NSHDSACASA-N 314.349 -0.374 30 20 DBED CC#CC[C@H](CO)NS(=O)(=O)N(CCC#N)CCOC 592111984 KQXUKVTZJKCIDA-GFCCVEGCSA-N 303.384 -0.543 30 20 DBED COCCOCCN1CCN(CC(=O)NC2(C#N)CCC2)CC1 593114834 DTEUDBUVSVNMNI-UHFFFAOYSA-N 324.425 -0.171 30 20 DBED C[C@H](C#N)N(CC(=O)N1CCN(CC(=O)N(C)C)CC1)C1CC1 595714679 YCRRQABZEDBJFV-CYBMUJFWSA-N 321.425 -0.405 30 20 DBED N#CCN1CCN(C(=O)c2sccc2S(N)(=O)=O)CC1 597274547 OYYZAGMNMQGORP-UHFFFAOYSA-N 314.392 -0.323 30 20 DBED C[C@H](C#N)N(C)C(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 602424484 QVSKZSOAZCMAGX-JKKYPKHBSA-N 305.334 -0.091 30 20 DBED Cn1c(=O)c2nc(CN3CC[C@@](F)(C#N)C3)[nH]c2n(C)c1=O 615644896 HMJUWMLVBZDSEQ-CYBMUJFWSA-N 306.301 -0.602 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CCN(CCO)C(C)(C)C1 619713975 STFXPWPBPCNNQF-UHFFFAOYSA-N 318.443 -0.145 30 20 DBED C=CC[C@@H](CO)CNC(=O)Nc1nc(CS(C)(=O)=O)no1 680910718 BWVLWISFHITOJY-MRVPVSSYSA-N 318.355 -0.080 30 20 DBED CN(CCCNC(=O)C1(C#N)CCOCC1)S(C)(=O)=O 692433518 VPFFSXKIWVTTLE-UHFFFAOYSA-N 303.384 -0.296 30 20 DBED CC[C@H](C#N)OC(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1 756301071 LYYWQRVOBLXUHB-RKDXNWHRSA-N 300.340 -0.068 30 20 DBED C#Cc1cccc(NC(=O)C(=O)N2CCN(C(=O)CO)CC2)c1 768110576 BLRZCCSFIPQLHK-UHFFFAOYSA-N 315.329 -0.731 30 20 DBED CNC(=O)c1ccc(C(=O)NS(=O)(=O)CC2(C#N)CC2)cn1 793205638 YQACAMKAZNWNGO-UHFFFAOYSA-N 322.346 -0.195 30 20 DBED C#C[C@@H](NC(=O)NC1CC(NS(C)(=O)=O)C1)[C@H]1CCCO1 801052215 YDMFEILWKXTJSP-KIDURHIOSA-N 315.395 -0.453 30 20 DBED C#CC[C@@H](NC(=O)Cn1nnc2ccccc2c1=O)C(=O)OC 837932570 AVIJDMMUAIIZCG-GFCCVEGCSA-N 314.301 -0.527 30 20 DBED N#C[C@@H]1CN(C(=O)[C@@H]2CCc3nnnn3CC2)CCN1C1CC1 845491088 DFUTWEAQLQSURP-DGCLKSJQSA-N 315.381 -0.176 30 20 DBED O=C(N[C@H]1CCCN(O)C1=O)[C@H]1CCCN1c1ncccn1 848137263 BSAKCBHMPXISBF-WDEREUQCSA-N 305.338 -0.058 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)[C@@H]1CCCN1S(C)(=O)=O 856531743 DPDNFQMBDUERTD-UWVGGRQHSA-N 302.352 -0.909 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@@H](NC=O)C(C)C)CC1 859225602 QHJFDUBFFRTZGE-HNNXBMFYSA-N 322.409 -0.959 30 20 DBED C#CC[C@H](CO)NC(=O)[C@@H]1CC[C@H]1C(=O)N[C@@H](CO)CC#C 868473434 OIRIVNHRNXACMD-AAVRWANBSA-N 306.362 -0.987 30 20 DBED C#C[C@H](NC(=O)N1CC(NS(C)(=O)=O)C1)[C@@H]1CCCO1 875506913 REHNYXCNLYWEPT-QWRGUYRKSA-N 301.368 -0.890 30 20 DBED C#CCNS(=O)(=O)N1CCN(Cc2c(C)cnn2C)CC1 895922186 SEOGBFCRSIXIHK-UHFFFAOYSA-N 311.411 -0.686 30 20 DBED N#Cc1cc(N2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)ccn1 912020855 VRFDAEPLMVLYOD-UONOGXRCSA-N 322.390 -0.767 30 20 DBED CN(C)CC#CCNC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 913516637 YZWNTYAHNFSZOJ-UHFFFAOYSA-N 300.318 -0.489 30 20 DBED C#CC(=O)N1CCN(c2ccc(S(=O)(=O)NC)cc2)CC1 915452497 LNCCJYSHMYHKQO-UHFFFAOYSA-N 307.375 -0.124 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N[C@H]1COCCC1(OC)OC 931666135 DSUFCQBIDGAIKQ-MNOVXSKESA-N 315.370 -0.246 30 20 DBED NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CCN(C(=O)C#CC3CC3)C2)O1 942422345 PDRXOFNZTIINHR-FRRDWIJNSA-N 319.361 -0.850 30 20 DBED C=CCCN1CC[C@@H](NC(=O)CN2CCNC(=O)C2)[C@@H](C)C1 942560356 OMPYHDYWVDLFIA-UONOGXRCSA-N 308.426 -0.179 30 20 DBED CO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1NC(=O)c1cccnn1 946300131 PLMJVQOADJAEPX-MVWJERBFSA-N 303.322 -0.408 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CNC(=O)[C@H]2CN(C)C(=O)N2)CC1 949394448 RTHGMBGEBCZIEB-ZYHUDNBSSA-N 321.381 -0.476 30 20 DBED Cn1cc(C(=O)NC[C@H]2CCN2C(=O)C#CC2CC2)n(C)c1=O 950629419 DXPKRJQFZSTWQF-GFCCVEGCSA-N 316.361 -0.532 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H](NC(=O)CN2C(=O)CCC2=O)C1 951872244 IJZLHWAYKGHGIP-GHMZBOCLSA-N 320.349 -0.598 30 20 DBED C=CCN1CC[C@H](N2CCN(C(=O)Cc3ncc[nH]3)CC2)C1=O 952409623 XZPXPHSZYWWRQR-ZDUSSCGKSA-N 317.393 -0.117 30 20 DBED C[C@H](C#N)C(=O)N1CCC(N(C)C(=O)[C@H]2CCNC2=O)CC1 954132549 UNIXXFUZFXEWTH-PWSUYJOCSA-N 306.366 -0.268 30 20 DBED CCn1cc(CC(=O)N(C)C2CN(C(=O)[C@H](C)C#N)C2)nn1 954996088 UGCSPPUNEPBZMB-SNVBAGLBSA-N 304.354 -0.331 30 20 DBED COCCn1cc(C(=O)N(C)C2CN(C(=O)[C@H](C)C#N)C2)cn1 954999609 DZTKYEVFTSNBOT-LLVKDONJSA-N 319.365 -0.028 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@H]2CCNC2=O)C1 955366918 DZEIHBYNCXEPSI-AGIUHOORSA-N 321.377 -0.617 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H]1CNC(=O)c1nnc(O)nc1O 956187587 CMCKNXADOIKFEJ-SFYZADRCSA-N 320.309 -0.837 30 20 DBED C[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 957779136 WVJRRURWZGNOCP-LDYMZIIASA-N 313.321 -0.105 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2csc(NC(C)=O)n2)C1 958198716 AOEOIGYXZQIXLC-ZYHUDNBSSA-N 322.390 -0.243 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CN(C(=O)C#CC3CC3)CCO2)C1 965379969 SDMUVYDMZVHATL-LBPRGKRZSA-N 301.346 -0.001 30 20 DBED CO[C@@H](C)C(=O)N1CCN(C2CN(C(=O)[C@H](C)C#N)C2)CC1 967194038 LWVYJTFFXBHAIE-NEPJUHHUSA-N 308.382 -0.464 30 20 DBED C=CCN1CC[C@@H](C)[C@@H](NC(=O)Cn2ccc(O)nc2=O)C1 967274048 OQCJTRRWTFSVGN-NEPJUHHUSA-N 306.366 -0.039 30 20 DBED COCCn1cc(C(=O)N2CC3(CCCN(CC#N)C3)C2)nn1 981757943 BRBNWGJMRZQKIP-UHFFFAOYSA-N 318.381 -0.014 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2cnn[nH]2)C1 983317214 OONXZURUBZVQHK-WZRBSPASSA-N 319.365 -0.026 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H](N(C)C(=O)Cn2cnnn2)C1 984589407 UGQDFIUQFHGNBZ-MNOVXSKESA-N 305.342 -0.718 30 20 DBED C[C@H]1[C@H](NCC#N)CCN1C(=O)CN1C(=O)NC(C)(C)C1=O 987459248 KFTDBRRWUQARAU-VHSXEESVSA-N 307.354 -0.581 30 20 DBED N#Cc1c[nH]c(C(=O)NC2CN(C(=O)[C@H]3CC[C@@H]3C(N)=O)C2)c1 990724108 UKNQWEHZVBQRHU-QWRGUYRKSA-N 315.333 -0.662 30 20 DBED CN1CC[C@H](C(=O)N2CC(NC(=O)c3cc(C#N)c[nH]3)C2)C1=O 990724686 YPQUOEBCGYAPMT-NSHDSACASA-N 315.333 -0.695 30 20 DBED C=C1CCC(C(=O)N[C@@H]2CCN(C(=O)C(N)=O)C[C@H]2O)CC1 991761266 WRLDFFVIVGVDNO-VXGBXAGGSA-N 309.366 -0.704 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CN(C(=O)C(C)(C)C(N)=O)C[C@@]2(C)C1 993356669 WONCHXRDMMQKAQ-OHUAYANFSA-N 320.393 -0.036 30 20 DBED CC#CCN1CCC[C@@H](NC(=O)CN2CCOCC2=O)[C@@H]1C 993420916 KRDIRRDDUOTJBO-UONOGXRCSA-N 307.394 -0.162 30 20 DBED C#CCN1CCC[C@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)[C@H]1C 994324346 AASYCWRRNKYICD-NEPJUHHUSA-N 320.393 -0.081 30 20 DBED COCCn1cc(C(=O)N2C[C@@H](NCC#N)C(C)(C)C2)nn1 995783842 KBZTXJUYVLHPHJ-GFCCVEGCSA-N 306.370 -0.112 30 20 DBED C=CCN[C@H]1CN(C(=O)CCn2cc[nH]c(=O)c2=O)CC1(C)C 996420941 YRWARDGGSDGCPV-LBPRGKRZSA-N 320.393 -0.061 30 20 DBED CCn1cc(C(=O)NC2CN(C(=O)c3c[nH]c(C#N)c3)C2)nn1 998783323 FHTAUFUHIBORRK-UHFFFAOYSA-N 313.321 -0.248 30 20 DBED Cc1nn[nH]c1C(=O)N1CC(CNC(=O)c2ccc(C#N)[nH]2)C1 1001464497 XWUDDYIVIQPVBA-UHFFFAOYSA-N 313.321 -0.185 30 20 DBED C[C@H](C#N)C(=O)N1CC(CNC(=O)c2cc3n(n2)CCO3)C1 1002620127 SDKQUYKVYQEBHI-SECBINFHSA-N 303.322 -0.377 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2C(CNC(=O)c3cc[n+]([O-])cc3)[C@@H]2C1 1008750873 DSMWYSINAJZUNT-SWHYSGLUSA-N 314.345 -0.086 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCN(Cc3ncnn3C)C2)nn1 1015812646 ZLXZRYKDBCSWSG-NSHDSACASA-N 316.369 -0.403 30 20 DBED C[C@H](C#N)C(=O)N1CC=C(CNC(=O)[C@H]2CCN(C)C2=O)CC1 1017650046 JXJHRMMVHWCZDX-DGCLKSJQSA-N 318.377 -0.101 30 20 DBED CC#CCN1[C@H]2CC[C@H]1CC(NC(=O)C[C@@H]1NC(=O)NC1=O)C2 1021284470 GMPJCZIRCZPTRR-AVGNSLFASA-N 318.377 -0.281 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C2CC2)C1 1022869503 GFOIKDCYXSHEHB-HZSPNIEDSA-N 305.378 -0.818 30 20 DBED Cc1cnc(C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2O)cn1 1022968014 KIDQYYBRKYTVHB-ZIAGYGMSSA-N 314.345 -0.500 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc3c([nH]2)CCC3)C1 1024687360 RPNBSVYKMFGMEL-OWYVNGRQSA-N 316.361 -0.035 30 20 DBED N#Cc1cc(C(=O)N2CC[C@@H](CNCc3nc(O)n[nH]3)C2)c[nH]1 1026794194 GAVWKIADOKIJJQ-VIFPVBQESA-N 315.337 -0.038 30 20 DBED N#CCOc1ccc(CN2C[C@@H]3C[C@H]2CN3C(=O)C(N)=O)cc1 1032596649 MSRMULMDNFCAPH-STQMWFEESA-N 314.345 -0.141 30 20 DBED N#CCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2c(c1)C(=O)NC2=O 1032739038 VWAQGTPYULTUEW-QWRGUYRKSA-N 310.313 -0.008 30 20 DBED Cn1cnn(CC(=O)N2[C@H]3CC[C@H]2CN(CC#N)CC3)c1=O 1039396128 BBTJCVVHDWPGMZ-RYUDHWBXSA-N 304.354 -0.829 30 20 DBED C[C@@H]1CCN(C(=O)C(N)=O)C[C@H]1CNc1cnc(C#N)cn1 1039890316 ZEBWJXALFPCUHR-NXEZZACHSA-N 302.338 -0.270 30 20 DBED C#CCN1CCC[C@@]2(CCN(C(=O)CN3CCOCC3=O)C2)C1 1040242022 CPUQBUBXSANPHT-QGZVFWFLSA-N 319.405 -0.207 30 20 DBED CC(=O)NC(C)(C)C(=O)NC[C@@]1(O)CCN(C(=O)[C@@H](C)C#N)C1 1040310711 VOUZEDSPZAIMNN-BONVTDFDSA-N 324.381 -0.860 30 20 DBED C=C1CCC(C(=O)NC[C@]2(O)CCN(C(=O)CC(N)=O)C2)CC1 1040807097 NTOUHIKOFXMJML-MRXNPFEDSA-N 323.393 -0.312 30 20 DBED N#Cc1nccc(N2C[C@@H](O)[C@H](NC(=O)c3ncccn3)C2)n1 1041136451 BRNXAGXDOIHUEO-NXEZZACHSA-N 311.305 -0.882 30 20 DBED C=CCOCCCC(=O)N1CC(O)(CNC(=O)COC)C1 1041151711 RARJZIJJZDYUHY-UHFFFAOYSA-N 300.355 -0.695 30 20 DBED C=CCCOCC(=O)N1CC(O)(CNC(=O)c2cc(C)no2)C1 1041438229 LGUQVQSOYUBTML-UHFFFAOYSA-N 323.349 -0.121 30 20 DBED C#CCCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCCN2C)C1 1042659037 XSWZAWRDCQXITK-AWEZNQCLSA-N 321.421 -0.036 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)C[C@H]2COC(=O)C2)C1 1042936926 VDXKOSGTRYZHRV-GFCCVEGCSA-N 322.361 -0.712 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@H]2C[C@@H]2C)C1 1043651853 NAQVZKLLAACWCQ-IHRRRGAJSA-N 319.405 -0.571 30 20 DBED N#Cc1cncc(N2C[C@H](O)[C@H](NC(=O)[C@H]3CCCO3)C2)n1 1043825573 JECYFZLZQSYYLT-GRYCIOLGSA-N 303.322 -0.807 30 20 DBED N#Cc1cnc(N2C[C@H](O)[C@H](NC(=O)[C@H]3CCCO3)C2)c(F)c1 1043825624 JTGMNCVPNQTAOI-FRRDWIJNSA-N 320.324 -0.063 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2cc(C)co2)C1 1045047008 ZMSMXVSBZWPKEX-LBPRGKRZSA-N 320.345 -0.071 30 20 DBED C#CCN1C[C@H]2C[C@H](NC(=O)Cn3nc(C)n(C)c3=O)C[C@H]1C2 1047189863 FTVMCUPATCYRSC-MELADBBJSA-N 317.393 -0.507 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3nn[nH]c3C2)C1 1047597478 QHJPHBOQRRQZCF-SWHYSGLUSA-N 305.382 -0.401 30 20 DBED C#CCN1C[C@@H]2CCCN(C(=O)CCn3ncn(C)c3=O)[C@@H]2C1 1050102164 NJYCDCNFWOANQJ-UONOGXRCSA-N 317.393 -0.472 30 20 DBED C[C@@H](NC(=O)CC(N)=O)[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 1050483230 MNIGRJPPDQKVGW-NXEZZACHSA-N 317.349 -0.271 30 20 DBED N#CCN1CCOC[C@H]1CNC(=O)[C@H]1CCn2ccnc2C1 1050989999 ZUYXNGCMHRTUCP-QWHCGFSZSA-N 303.366 -0.214 30 20 DBED C=CCN1CCOC[C@@H]1CNC(=O)[C@@H]1CCS(=O)(=O)C1 1051009242 DIUOVMHXYGZHTM-NEPJUHHUSA-N 302.396 -0.576 30 20 DBED C=C(C)CN1CCN([C@@H]2CCN(C(=O)Cn3ncnn3)C2)CC1 1052028514 PXVPRALUKHJVKJ-CQSZACIVSA-N 319.413 -0.532 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1CCCN(CC(=O)NC)CC1 1052457742 VGWVLEIKDSWVNU-GJZGRUSLSA-N 320.437 -0.199 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@@H]1C 1053172626 WPUNIWSQNJSXTC-NWDGAFQWSA-N 318.381 -0.162 30 20 DBED N#CCN1CC2(C1)CN(C(=O)[C@@H]1OC[C@@H]3COCC[C@@H]31)CCO2 1053354199 SLENKSZROWGGOV-MELADBBJSA-N 321.377 -0.525 30 20 DBED C#CCN1CC2(CC[C@H](CNC(=O)[C@@H]3CC(=O)N(CC)C3)O2)C1 1053607149 RGCYOULTPYIFEX-ZIAGYGMSSA-N 319.405 -0.162 30 20 DBED C[C@H]1CC(=O)N[C@@H](C(=O)N[C@H]2COC3(C2)CN(CC#N)C3)C1 1053804888 JEQZGFOWIBSVJP-IJLUTSLNSA-N 306.366 -0.616 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)c3cnn4c3OCCC4)CO2)C1 1053858806 RMQCALRGNJTTSJ-NSHDSACASA-N 317.349 -0.238 30 20 DBED N#Cc1nc(=N[C@H]2C[C@H]3C[C@@H](C2)N(C(=O)C(N)=O)C3)cc[nH]1 1054839370 HSDDASALPCRTRG-GUBZILKMSA-N 300.322 -0.953 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@@H]2CN(C(=O)c3cc[nH]n3)C[C@@H]2C1 1055187220 WNGOWUQOLUTPNY-UPJWGTAASA-N 316.361 -0.022 30 20 DBED C=CCO[C@@H](C)C(=O)N1C[C@@H]2CN(C(=O)c3nc[nH]n3)C[C@@H]2C1 1055379516 FXTLKGHEFKCKQV-SDDRHHMPSA-N 319.365 -0.074 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)[C@H]1CCCN1C 1057211902 GHWXQPIRQJJSFT-CQSZACIVSA-N 309.410 -0.179 30 20 DBED C=C[C@@H](CC)CC(=O)NCCN(CCO)C(=O)Cn1nccn1 1057702366 SDMAFNZDGKEXEN-ZDUSSCGKSA-N 323.397 -0.183 30 20 DBED C=C(C)CCC(=O)N(CCO)CCNC(=O)c1c[nH]c(=O)cn1 1057805649 KXXNBXAWZNMJLX-UHFFFAOYSA-N 322.365 -0.323 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCN(CCO)C(=O)c1ncccn1 1058520421 HRLODWRUDSHHEW-OAHLLOKOSA-N 322.365 -0.646 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)[C@@H]1CCO[C@H]1C1CC1 1058655017 NTRJTIQNRUMRKV-BNOWGMLFSA-N 323.393 -0.102 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)CCn1ccnc1 1058660516 BNUZFGZOVAJHIY-GFCCVEGCSA-N 307.354 -0.630 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)COCCCOC 1058829576 XNLFYPXUHSKERW-UHFFFAOYSA-N 316.398 -0.057 30 20 DBED CN1CCOC[C@H]1C(=O)N[C@H]1C[C@H](N=c2cc[nH]c(C#N)n2)C1 1059186659 BWLLRJJGKAUVBP-SRVKXCTJSA-N 316.365 -0.840 30 20 DBED CC(=O)N1CC(C(=O)NCC[C@@H]2CCN(C(=O)[C@H](C)C#N)C2)C1 1060288550 BCYZGEWSNXGGLY-DGCLKSJQSA-N 320.393 -0.021 30 20 DBED N#Cc1cnc(N[C@@H]2CC[C@@H]3CN(C(=O)CC(N)=O)C[C@H]32)cn1 1060524003 SVLNNMFEAIBWLY-YUSALJHKSA-N 314.349 -0.127 30 20 DBED CNC(=O)NCC(=O)N[C@H]1CC[C@H](CNC(=O)[C@H](C)C#N)CC1 1060746110 OZHQMFCEWKMJNG-IJLUTSLNSA-N 323.397 -0.134 30 20 DBED C#CCCCC(=O)NC[C@H]1COCCN1C(=O)[C@H]1C[C@H]1C(N)=O 1061540307 ISRVVGAXQMMVGL-XQQFMLRXSA-N 321.377 -0.745 30 20 DBED C=CCOCC(=O)N1CCOC[C@H]1CNC(=O)c1nonc1C 1061685848 NRSPXSMPQPNMKY-LLVKDONJSA-N 324.337 -0.462 30 20 DBED N#CCSCC(=O)NCC1(NC(=O)[C@H]2C[C@H]2C(N)=O)CCC1 1062581144 AHHOBLINMGQMHB-ZJUUUORDSA-N 324.406 -0.480 30 20 DBED C[C@H]1CN(C(=O)CC(N)=O)CC[C@H]1Nc1nccnc1C#N 1063713868 PZSPSICPTHPWDA-VHSXEESVSA-N 302.338 -0.127 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H]1CCCN1C(=O)Cn1ncnn1 1064956890 RQZZEWWUFRGDIM-LBPRGKRZSA-N 312.337 -0.535 30 20 DBED C#CCNC(=O)CC(=O)N1CCO[C@@H](CNC(=O)/C(C)=C/C)C1 1065065629 SVQADICGSGDLNC-YFTXEMMHSA-N 321.377 -0.564 30 20 DBED C#CCCCC(=O)N1CCO[C@H](CNC(=O)c2cnn[nH]2)C1 1065090318 ISKZVXUVCIZUND-LLVKDONJSA-N 305.338 -0.435 30 20 DBED C=CC(C)(C)C(=O)NC[C@@H]1CN(C(=O)Cn2cncn2)CCO1 1065637729 GTRNYUFMCPHLQR-GFCCVEGCSA-N 321.381 -0.166 30 20 DBED N#Cc1ccc(N2CCOC[C@@H]2CNC(=O)c2cnn[nH]2)nc1 1066530621 KTXFGTLDUBCCRA-NSHDSACASA-N 313.321 -0.293 30 20 DBED C[C@@H]1C[C@H](CN=c2cc[nH]c(C#N)n2)CN1C(=O)c1nc[nH]n1 1068342287 WBKVKNQCBJKUEJ-NXEZZACHSA-N 312.337 -0.149 30 20 DBED C#CCN1CCn2ncc(CNC(=O)[C@@]34COC[C@@H]3C4)c2C1 1069861183 BZAFBAIWFXTHDQ-BBRMVZONSA-N 300.362 -0.015 30 20 DBED C#CCN1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2COC(=O)N2)C1 1070407962 KNUDTMVRRVWLPJ-JQWIXIFHSA-N 317.349 -0.443 30 20 DBED C#CCN1CCOC[C@H]1c1n[nH]c(CNC(=O)[C@H]2CCOC2)n1 1070581594 DZXJCKUVQRJSMU-RYUDHWBXSA-N 319.365 -0.536 30 20 DBED CC#CCN1CCNC(=O)CCN(C(=O)Cn2ccnc2)CC1 1071025803 XOHUUBKNINEGLN-UHFFFAOYSA-N 317.393 -0.443 30 20 DBED CN1C[C@@H](C(=O)NC[C@H]2CN(CC#N)CCCO2)CCC1=O 1073902187 WYXPDDDKUHCVAK-STQMWFEESA-N 308.382 -0.415 30 20 DBED CC#CCN1CCO[C@@H]2CCN(C(=O)CCn3ccnn3)C[C@H]21 1074225093 BITPXXXLMRCHSF-HUUCEWRRSA-N 317.393 -0.007 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(O)(CNC(=O)[C@H]2CCCN2C)CC1 1074705113 NCFIFBMQEQDKEX-QWHCGFSZSA-N 322.409 -0.290 30 20 DBED Cc1n[nH]cc1C(=O)NCC1(O)CCN(C(=O)[C@H](C)C#N)CC1 1074707385 ZDHHVJBONGCIKU-SNVBAGLBSA-N 319.365 -0.039 30 20 DBED CC(C)C#CC(=O)N1CC[C@H](NC(=O)Cn2ncnn2)C[C@H]1C 1075004144 LYLMPCPLBTVYPA-OLZOCXBDSA-N 318.381 -0.172 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)[C@@H](C)OCC 1075714239 DXEARTQYLNXHRY-NWDGAFQWSA-N 311.382 -0.438 30 20 DBED C#CCCN1C[C@@H]2CCN(C(=O)c3nnc(O)nc3O)[C@@H]2C1 1075993017 FBEAOLCPHZGHSB-VHSXEESVSA-N 303.322 -0.548 30 20 DBED C=C(C)CN1C[C@@H]2CCN(C(=O)CN3C(=O)CN(C)C3=O)[C@@H]2C1 1076544666 AEZTUBYIDOQKQD-QWHCGFSZSA-N 320.393 -0.011 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H](C)CCNC(=O)Cn1ncnn1 1076652715 IITLTPMNDDALOW-WDEREUQCSA-N 310.358 -0.725 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCN(C)C2=O)C1 1077192178 SYSVXGUMRXYVSM-MGPQQGTHSA-N 309.410 -0.018 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2sccc2-n2cnnn2)C1 1077292419 CJGOXRYNZRFJAZ-MWLCHTKSSA-N 318.362 -0.868 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC(=O)N2C(C)C)C1 1077563855 VXHYMWASYUATEJ-HZSPNIEDSA-N 307.394 -0.430 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)c2cccnc2C(N)=O)C1 1078213891 HBFNQZHPOFIHFN-VXGBXAGGSA-N 304.350 -0.469 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)c2ccc(C(N)=O)nc2)C1 1078273278 JQSRPEIFLHJPIH-CHWSQXEVSA-N 304.350 -0.469 30 20 DBED CCN(C(=O)CC(=O)NC)C1CN(C(=O)c2cc(C#N)c[nH]2)C1 1079658451 AYWUMYAAYCIDAR-UHFFFAOYSA-N 317.349 -0.305 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)Cn2nccn2)C1 1079849621 ZJKLFJGXXQFAMY-LBPRGKRZSA-N 319.365 -0.624 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)C(C)(C)C(N)=O)C1 1079950579 AOXGCHQMVLMVHC-NSHDSACASA-N 323.393 -0.405 30 20 DBED C=CCOCC(=O)N1CC(N(CC)C(=O)C2(C(N)=O)CC2)C1 1080398357 SQRHLCMSQIHSPX-UHFFFAOYSA-N 309.366 -0.486 30 20 DBED CCNC(=O)CC(=O)NC1(CO)CCN(C(=O)[C@H](C)C#N)CC1 1080824459 NECDDLQDWNLUBV-LLVKDONJSA-N 324.381 -0.858 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cnsn2)C1 1081300961 XYXLXRBBBZMDLA-PWSUYJOCSA-N 322.390 -0.253 30 20 DBED C=CCCCC(=O)N1C[C@H](CNC(=O)CC(=O)NC)[C@@H](O)C1 1081432948 FOAQNSQPDPPXAE-RYUDHWBXSA-N 311.382 -0.586 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)c2ccnn2C)C[C@@H]1O 1081463869 TUIIFXYVOHRBMX-JSGCOSHPSA-N 318.377 -0.371 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1ccnc2c1ncn2C 1082122881 JTYSEZLCGBOWHK-VXGBXAGGSA-N 314.349 -0.079 30 20 DBED O=C1NCCC[C@@H]1N1C[C@H]2[C@@H](C1)OCCN2C(=O)C#CC1CC1 1083076754 ADSTVUGRSIAMAS-SOUVJXGZSA-N 317.389 -0.410 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CC(=O)N(CCC)C1 1083209076 PXULMUSHCFDEKT-QLFBSQMISA-N 319.405 -0.210 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)Cc2c(C)nn(C)c2C)C1 1083681206 QVZYBWNNFMGVEE-CABCVRRESA-N 304.394 -0.236 30 20 DBED CC(C)(C)N1CC[C@@](F)(C(=O)N[C@@H]2CN(CC#N)C[C@@H]2O)C1 1083781792 VYJYODFXXKTSLS-XUJVJEKNSA-N 312.389 -0.116 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](NC(=O)c2nc3ncccn3n2)C1 1083877373 VIOTVDJNQPGEAK-NEPJUHHUSA-N 316.365 -0.135 30 20 DBED C#CCCN1CC[C@@H]2CN(C(=O)c3cc(=O)n(C)cn3)[C@@H]2C1 1084419943 JIWMXIVCJKWFQJ-TZMCWYRMSA-N 300.362 -0.050 30 20 DBED CC#CCN1CC[C@@H]2CN(C(=O)Cn3nc(C)n(C)c3=O)[C@@H]2C1 1084805697 AQNNIFBPXPKFDV-ZIAGYGMSSA-N 317.393 -0.554 30 20 DBED N#CCN[C@@H]1CCCC[C@H]1NC(=O)Cn1ccc(O)nc1=O 1085262430 NPZKXGXFZAZXFI-GHMZBOCLSA-N 305.338 -0.511 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(Cc2nnn(C)n2)[C@@H]1C 1088867973 CTAPCZHIDNNONC-NDBYEHHHSA-N 320.397 -0.120 30 20 DBED C[C@@H]1[C@@H](NC(=O)Cn2nc3n(c2=O)CCCC3)CCN1CC#N 1088963884 AQIDIIIKPWGBFK-NEPJUHHUSA-N 318.381 -0.516 30 20 DBED C[C@@H](C[C@@H](C)Nc1cnc(C#N)cn1)NC(=O)Cn1cnnn1 1089214029 DTVBBGAKJCGDJZ-ZJUUUORDSA-N 315.341 -0.270 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2cnc3[nH]ncc3c2)[C@@H](O)C1 1090356882 ZDNKNQHKQUYXBP-NEPJUHHUSA-N 300.322 -0.354 30 20 DBED C=CCCn1cc(C(=O)N[C@H]2CCN(CCCO)C[C@@H]2O)nn1 1090637630 LJTPERCTDGBOJY-JSGCOSHPSA-N 323.397 -0.598 30 20 DBED N#CCN1CC[C@H](NC(=O)c2ccc3nn[nH]c3c2)[C@H](O)C1 1090793763 HTQVZCMVGXAEBO-WCQYABFASA-N 300.322 -0.354 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)c2ccc(C(N)=O)cn2)[C@H](O)C1 1090845344 YPDMQGYTGQEDTP-TZMCWYRMSA-N 318.377 -0.078 30 20 DBED COC[C@@H](C)C(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1OC 1090868003 HFAYPUODJYPLSQ-RAIGVLPGSA-N 319.365 -0.049 30 20 DBED CO[C@H](C)CC(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1091075184 WPRWEFYJKSTRAZ-JLLWLGSASA-N 305.338 -0.561 30 20 DBED C[C@@]12CN(CC#N)C[C@@H]1CN(C(=O)CCN1C(=O)CCC1=O)C2 1091831720 UJWQHAMOKBSEAM-WBMJQRKESA-N 318.377 -0.171 30 20 DBED Cc1cc(C#N)nc(NCCNC(=O)CN2CCCC2=O)n1 1093472423 AFSJIYFFABTGDQ-UHFFFAOYSA-N 302.338 -0.193 30 20 DBED Cn1nnc(C(=O)N2CCC(OC3CN(CC#N)C3)CC2)n1 1093561145 BOEAQAYYUCECLY-UHFFFAOYSA-N 305.342 -0.961 30 20 DBED C[C@@H](Cc1cnn(C)c1)C(=O)NCCN=c1cc[nH]c(C#N)n1 1093817964 QGZQBNONVVVOLB-NSHDSACASA-N 313.365 -0.089 30 20 DBED N#Cc1nc(=NCCNC(=O)CCOC[C@@H]2CCCO2)cc[nH]1 1094242684 WVKUKZLDSMXLDE-LBPRGKRZSA-N 319.365 -0.116 30 20 DBED N#CCN1CC(n2cc(CNC(=O)[C@H]3CCCCO3)nn2)C1 1094283654 CBNHKMTXLIDZPX-CYBMUJFWSA-N 304.354 -0.156 30 20 DBED C[C@@H](CC(=O)NCCCN=c1cc[nH]cc1C#N)NC(N)=O 1094594043 VUCCIMKTGIVVMM-JTQLQIEISA-N 304.354 -0.260 30 20 DBED N#Cc1ccc(NCCCNC(=O)C[C@H]2CCNC2=O)nn1 1094617848 SAPQNWGPCCNXAG-SNVBAGLBSA-N 302.338 -0.207 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)c3cnccn3)CC2=O)C1 1094698246 YZOWAPVIOUBPMX-LLVKDONJSA-N 301.350 -0.323 30 20 DBED C=CCCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cn1ncn(C)c1=O 1095649157 IPXWOCGHGZJVLQ-AGIUHOORSA-N 305.382 -0.121 30 20 DBED CN(CCCNC(=O)C1(C(N)=O)CC1)c1nccnc1C#N 1095718540 XYTXRDCSBGDKMY-UHFFFAOYSA-N 302.338 -0.444 30 20 DBED CCN(CCCNC(=O)[C@H]1CCNC1=O)c1ccnc(C#N)n1 1095943066 YINMJLYBJNSKSW-LLVKDONJSA-N 316.365 -0.183 30 20 DBED N#Cc1nccnc1N1CCC[C@H](NC(=O)CCNC(N)=O)C1 1096180270 DFXQGABOXLAICR-JTQLQIEISA-N 317.353 -0.508 30 20 DBED CNC(=O)NCCC(=O)N[C@H]1CCN(c2ccc(C#N)nn2)C1 1096369060 QUVDCGAVBRNJQU-NSHDSACASA-N 317.353 -0.638 30 20 DBED CNC(=O)C1(C(=O)N[C@H]2C[C@H](N=c3cc[nH]cc3C#N)C2)CC1 1097044164 JDHHGCCAJIUXHZ-HAQNSBGRSA-N 313.361 -0.040 30 20 DBED N#Cc1nccnc1N1CCCC[C@H]1CNC(=O)CC(N)=O 1097401571 NSPPIJWTYMBBQK-JTQLQIEISA-N 302.338 -0.301 30 20 DBED Cc1[nH]nc(C(=O)NC[C@@H](C)N=c2cc[nH]c(C#N)n2)c1O 1097804419 NUTXVJSFUNRESR-SSDOTTSWSA-N 301.310 -0.262 30 20 DBED C#CCCN(CCO)C1CCN(C(=O)c2cn(C)nn2)CC1 1098358810 ZIACYAQTHQKNSA-UHFFFAOYSA-N 305.382 -0.263 30 20 DBED C[C@H](CNC(=O)[C@@]1(C)CCNC(=O)C1)N=c1cc[nH]c(C#N)n1 1098395306 NBMXUXDUWGELQU-BMIGLBTASA-N 316.365 -0.397 30 20 DBED CC#CCN(CCO)C1CCN(C(=O)C[C@H]2CCC(=O)N2)CC1 1098498670 VXKOVHGSXOUCRL-CQSZACIVSA-N 321.421 -0.036 30 20 DBED CN(CCNC(=O)[C@H]1CCCNC1=O)c1ccc(C#N)nn1 1100185382 XLNDZNWFPOBNAI-NSHDSACASA-N 302.338 -0.573 30 20 DBED C=CCNC(=O)[C@@H](C)NC1CC(CNC(=O)c2cnn[nH]2)C1 1100475187 GQJQVCJDNCTTNR-KPPDAEKUSA-N 306.370 -0.407 30 20 DBED COCCOCC(=O)NC[C@@H]1CCN(c2cncc(C#N)n2)C1 1100950371 SEIAVQMGUMZPBH-LBPRGKRZSA-N 319.365 -0.046 30 20 DBED CN(CCNc1nccnc1C#N)C(=O)[C@@H]1CCCNC1=O 1101815059 NHDGIRANJZQNNC-SNVBAGLBSA-N 302.338 -0.255 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN([C@H](CC)C(N)=O)C[C@H]1C 1101960723 KJVWSPAWNNBNFX-MGPQQGTHSA-N 309.410 -0.026 30 20 DBED CC(=O)NCC(=O)N(C)[C@@H]1CCN(c2ccnc(C#N)n2)C1 1102670232 USIWAYZQAXWOAY-LLVKDONJSA-N 302.338 -0.479 30 20 DBED CCNC(=O)CC(=O)N(C)[C@@H]1CCN(c2ccnc(C#N)n2)C1 1102695438 GLTIMZMSGWRTEQ-LLVKDONJSA-N 316.365 -0.088 30 20 DBED CC[C@H](CNC(=O)CCNC(=O)NC)Nc1nccnc1C#N 1103064350 JHKADEGWXIQXGE-SNVBAGLBSA-N 319.369 -0.026 30 20 DBED C[C@H]1CN(C(=O)CNC(N)=O)CC[C@@H]1Nc1nccnc1C#N 1105029951 LAFWVJKDRSARTF-UWVGGRQHSA-N 317.353 -0.335 30 20 DBED C=CCNC(=O)CNCc1cn(C2CN(C(=O)C(C)C)C2)nn1 1105159199 FWKFKASQGJBTIG-UHFFFAOYSA-N 320.397 -0.291 30 20 DBED C=CCNCc1cn(C2CN(C(=O)Cc3n[nH]c(C)n3)C2)nn1 1105235857 WXJCBDKUMAXWHB-UHFFFAOYSA-N 316.369 -0.394 30 20 DBED CN1CCC[C@H]1C(=O)NC[C@@H](O)CNc1ccc(C#N)cn1 1105755661 LZSPXLFETHNZQU-STQMWFEESA-N 303.366 -0.064 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@H](O)CN=c1cc[nH]cc1C#N 1105805904 LYMBSTLFTOYJBI-DOMZBBRYSA-N 304.350 -0.409 30 20 DBED C[C@@H]1CN(C(=O)C(=O)C(C)(C)C)C[C@H]1CNCC(=O)NCC#N 1105956971 QFSSRUDABPURJY-VXGBXAGGSA-N 322.409 -0.075 30 20 DBED COC[C@@H](OC)C(=O)NC[C@@H](O)CNc1nc(C)ccc1C#N 1106087084 MMOQDGFXERLVEJ-QWHCGFSZSA-N 322.365 -0.188 30 20 DBED C[C@@H](CCNc1cnc(C#N)cn1)NC(=O)[C@@H]1CCC(=O)N1 1106393517 QQWBVBHMSFAZEO-ONGXEEELSA-N 302.338 -0.066 30 20 DBED CCN(CCNc1cnc(C#N)cn1)C(=O)CNC(=O)OC 1106683602 NAQLKMJGOGCWDB-UHFFFAOYSA-N 306.326 -0.035 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)Cc1nc[nH]n1 1106838427 KECCQKRTNDMGPF-UHFFFAOYSA-N 300.326 -0.609 30 20 DBED C[C@@H]1CN(C(=O)[C@H]2CCN(C)C2)C[C@H]1CNCC(=O)NCC#N 1106982293 HVNQEKZMIVSUJQ-HZSPNIEDSA-N 321.425 -0.738 30 20 DBED C[C@H](NC(N)=O)C(=O)NC/C=C/CNc1ccc(C#N)nn1 1107169189 XXPBORKCJMNHSV-HPOULIHZSA-N 303.326 -0.511 30 20 DBED N#Cc1nc(=NC/C=C\CNC(=O)c2c[nH]c(=O)cn2)cc[nH]1 1107490745 RECVJGMECCIHIP-UPHRSURJSA-N 311.305 -0.748 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCO[C@](C)(CNC(=O)C(C)C)C1 1107750608 WAWIXHGACGJQKE-CZUORRHYSA-N 309.410 -0.013 30 20 DBED C=CCN1CCO[C@@](C)(CNC(=O)[C@@H]2CCS(=O)(=O)C2)C1 1108058115 SQLVERLWPKCIEA-OCCSQVGLSA-N 316.423 -0.186 30 20 DBED C=CCCCN1CC(N2C[C@@H](NC(=O)CC(=O)NC)CC2=O)C1 1108535908 BFBHANKWCHHLLU-LBPRGKRZSA-N 322.409 -0.510 30 20 DBED C[C@@H](CN(C)c1ccnc(C#N)n1)NC(=O)Cc1nc[nH]n1 1109081166 NHBZDZVVZILYQM-VIFPVBQESA-N 300.326 -0.350 30 20 DBED C[C@@H](CN(C)c1ccnc(C#N)n1)NC(=O)[C@@H]1CCCNC1=O 1109127893 BQPHDDAQXWAQKL-WDEREUQCSA-N 316.365 -0.185 30 20 DBED CCC(=O)NCC(=O)N[C@H]1[C@H]2C[C@H]1N(c1cncc(C#N)n1)C2 1109702901 SRXQBHYNFZXPPV-ISOBSLSZSA-N 314.349 -0.432 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H](NC(=O)Cn1ncnn1)C1CC1 1109917665 LQFXSBXBNXMVAP-ZDUSSCGKSA-N 312.337 -0.631 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H]1C[C@H]1C(N)=O 1111025124 NNKDUGDAIKDXDP-RGDJUOJXSA-N 305.378 -0.521 30 20 DBED CO[C@H](C)CC(=O)N(C)[C@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1111175897 ZQSPKOGJOBOIAJ-WXHSDQCUSA-N 319.365 -0.219 30 20 DBED Cn1nccc1C(=O)N(CCO)CCNc1cncc(C#N)n1 1111432418 LLXUIZAFRBISEN-UHFFFAOYSA-N 315.337 -0.372 30 20 DBED C=CCOCC(=O)N(CCO)CCNc1nccc(OC)n1 1111445184 PGUUIZWYIBXGPQ-UHFFFAOYSA-N 310.354 -0.079 30 20 DBED CN1CC[C@H](C(=O)N(CCO)CCN=c2cc[nH]cc2C#N)C1 1111475611 XQOBMLDDIQOMON-ZDUSSCGKSA-N 317.393 -0.440 30 20 DBED N#CCNC[C@]12CCC[C@H]1CN(C(=O)Cn1cnnc1O)C2 1112311315 HEGJZZSZPZNUAF-FZMZJTMJSA-N 304.354 -0.274 30 20 DBED CNC(=O)CC(=O)N1CCC[C@@H]1CN(C)c1cncc(C#N)n1 1112790625 LRUWMFHOYAHAPU-GFCCVEGCSA-N 316.365 -0.088 30 20 DBED C[C@H](CNC(=O)C(=O)NCC1CC1)N(C)c1nccnc1C#N 1113692314 OBYDVBBECHBQNC-SNVBAGLBSA-N 316.365 -0.185 30 20 DBED C[C@H](CNC(=O)[C@]1(C)CCNC1=O)N(C)c1ccnc(C#N)n1 1113872230 KYIABGJWXAZABD-MEBBXXQBSA-N 316.365 -0.185 30 20 DBED C[C@@H](CNC(=O)CC(=O)N(C)C)N(C)c1cncc(C#N)n1 1113917045 OKUWBTFPHNIFQQ-JTQLQIEISA-N 304.354 -0.233 30 20 DBED C=CCOCCN1C[C@@H]2C(NC(=O)C3CS(=O)(=O)C3)[C@H]2C1 1114321314 KPSCWXJOHAEKSL-RYUDHWBXSA-N 314.407 -0.720 30 20 DBED CC1(C)CN(c2cnc(C#N)cn2)C[C@@H]1NC(=O)CC(N)=O 1114427930 STMRGXFFTADETR-JTQLQIEISA-N 302.338 -0.445 30 20 DBED CC(F)(F)CC(=O)NC1[C@H]2CN(CC(=O)NCC#N)C[C@H]12 1114782597 DMHNQIISHAFQIJ-IUCAKERBSA-N 300.309 -0.282 30 20 DBED C[C@@H](CCCNc1nccnc1C#N)NC(=O)Cn1cnnn1 1114839364 YRYTWMUKHNPNSH-JTQLQIEISA-N 315.341 -0.268 30 20 DBED Cc1cc(NC(=O)C(=O)N2C[C@@H](C)[C@@H](O)C2)nn1CCC#N 1116473989 URBYJDBZSYZDSU-KOLCDFICSA-N 305.338 -0.117 30 20 DBED N#CCCCS(=O)(=O)NC(=O)CCCN1C(=O)CCC1=O 1116476986 XPJOLACABMWYHT-UHFFFAOYSA-N 315.351 -0.335 30 20 DBED C=CCNC(=O)CNC(=O)NC1CCN(S(C)(=O)=O)CC1 1116483055 QRXIGWSRWQLCPT-UHFFFAOYSA-N 318.399 -0.988 30 20 DBED N#C[C@]1(F)CCN(C(=O)C(=O)NCCCO[C@H]2CCOC2)C1 1117534661 VHUZKLWRPGDSHQ-SMDDNHRTSA-N 313.329 -0.238 30 20 DBED COCC#CC(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 1118612773 PTLUYRZYMUDRIH-UHFFFAOYSA-N 306.322 -0.670 30 20 DBED CNC(=O)NCC(=O)N(C)C[C@@H](C)Nc1ccc(C#N)nn1 1120818600 SFQZMPLZGBQVFL-SECBINFHSA-N 305.342 -0.464 30 20 DBED N#Cc1nc(N[C@H](CO)CNC(=O)CC(N)=O)sc1Cl 1121258436 RIPWKICIOXJNLQ-YFKPBYRVSA-N 317.758 -0.567 30 20 DBED C#C[C@H](C)N(C)c1nnc(CN2CCC(C(N)=O)CC2)n1C 1121267675 FYQAKNSFJONPOA-NSHDSACASA-N 304.398 -0.030 30 20 DBED C#CCNCC(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1 1121876486 PTONFZLSVATHEJ-UHFFFAOYSA-N 323.365 -0.410 30 20 DBED C#CCNC1CC2(C1)CC(NC(=O)CC[C@@H]1NC(=O)NC1=O)C2 1122162893 WSESTKFPNBTUQO-VDOARHDCSA-N 318.377 -0.375 30 20 DBED Cc1cc(C#N)nc(N[C@H](CO)CNC(=O)[C@@H]2[C@H]3COC[C@H]32)n1 1122372510 QGIUBNWMMGIIBM-WUHRBBMRSA-N 317.349 -0.562 30 20 DBED N#Cc1nc(=N[C@@H](CO)CNC(=O)[C@H](F)C(F)(F)F)cc[nH]1 1122761328 QKPZUIKWQYBFOK-MUWHJKNJSA-N 321.234 -0.440 30 20 DBED C#CCNC(=O)CC(=O)NCCNCc1nc(C2CC2)no1 1125977605 BHSIRZONLQGQAP-UHFFFAOYSA-N 305.338 -0.708 30 20 DBED C#CCNC(=O)CC(=O)NCCNCc1oc(CC)nc1C 1125994503 CXBWJUNQFVVOKR-UHFFFAOYSA-N 306.366 -0.109 30 20 DBED CNC(=O)CC(=O)NCCNCc1cc(C#N)ccc1OC 1126161673 RLCQVLIAFOYOKS-UHFFFAOYSA-N 304.350 -0.091 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)Cc1nnc(C)o1 1126672742 WRSMPJFRFWQFHS-UHFFFAOYSA-N 321.381 -0.173 30 20 DBED C#CCNCc1nnc2n1CC[C@@H](NC(=O)[C@@H](C)OC)CC2 1127944403 RWPYYLYDFLQRJM-NEPJUHHUSA-N 305.382 -0.143 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(C)=O)C[C@H]1c1cn(C)cn1 1130485849 OKPLZHJAYXLWHY-GXTWGEPZSA-N 305.382 -0.374 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)[C@H]1CCc2cncn2C1 1130488094 MRINXHHKCYCLQZ-STQMWFEESA-N 319.409 -0.158 30 20 DBED C=CCCOCC(=O)N1C[C@H]2C[C@@H]3CN(CC(N)=O)C[C@]2(C1)O3 1131291962 YHPXGAHYMZSRGD-XJKCOSOUSA-N 323.393 -0.634 30 20 DBED C#CCCNCCNC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 1131613923 RZKLNJNFHMDXBI-CABCVRRESA-N 309.410 -0.405 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1c(C)cc(C)nc1O 1132055845 KKQZEVDIFCWNPM-UHFFFAOYSA-N 304.350 -0.527 30 20 DBED CC#CCN1C[C@H](NC(=O)CS(=O)(=O)N(C)C)CC[C@H]1C 1132454534 YBMONRCRHYNAOP-CHWSQXEVSA-N 315.439 -0.130 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)c1cc(C(N)=O)co1 1133705332 XLFOYUUNKGZZRE-VIFPVBQESA-N 308.338 -0.611 30 20 DBED COCC#CCN[C@@H](C)C[C@@H](C)NC(=O)C1CS(=O)(=O)C1 1134426932 IFVNIBVNLVTRQO-NWDGAFQWSA-N 316.423 -0.446 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)c1cn(CC=C)nn1 1134973619 ZSKXCNMGQKQKIV-LLVKDONJSA-N 306.370 -0.526 30 20 DBED C=CCCN[C@H](C)C[C@H](C)NC(=O)CNS(=O)(=O)NC 1135117994 GENLBHTUPVNSNU-MNOVXSKESA-N 306.432 -0.511 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1cnn(CCOCC)c1 1135906243 XDTOBWDEXGMBAT-UHFFFAOYSA-N 323.397 -0.459 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)c2cn(CC)nn2)C1=O 1135994464 VMCHVQOMPKSGCD-NSHDSACASA-N 306.370 -0.596 30 20 DBED COCC#CCN1CCC2(C1)CN(C(=O)[C@H](C)NC(C)=O)C2 1146985744 KXGLFDDLBGMMEL-ZDUSSCGKSA-N 307.394 -0.305 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1ccnc2nc(C)nn12 1147638612 DXADVITXNDDUHA-UHFFFAOYSA-N 317.353 -0.946 30 20 DBED C=CCNC(=O)CN1CCC2(C1)CN(C(=O)[C@@H]1CCC(=O)N1)C2 1148625839 LXLKBIPVTLHNMN-LBPRGKRZSA-N 320.393 -0.899 30 20 DBED C#CCNC(=O)CNCCNC(=O)Cc1cccc(OC)c1 1149770286 IXHLPKBJWTXIGK-UHFFFAOYSA-N 303.362 -0.307 30 20 DBED C#CCCN1CCCO[C@@H](CNC(=O)CN2C(=O)CCC2=O)C1 1150685593 OUPFJJWQXNORAV-ZDUSSCGKSA-N 321.377 -0.634 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)[C@@H](C)CCOC 1151499205 YSVMTRLSWXCGNT-NSHDSACASA-N 314.386 -0.623 30 20 DBED C#CCNC(=O)CNCCNC(=O)Cc1c[nH]c2ncccc12 1152732498 UZTFLCHDUWCQAA-UHFFFAOYSA-N 313.361 -0.439 30 20 DBED C=C(C)CN(CC)[C@H](C)CNC(=O)CN1C(=O)C(=O)N(C)C1=O 1155607865 YNBBDNYZNRSVLO-LLVKDONJSA-N 324.381 -0.190 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)C[C@@H]1COC(=O)C1 1156587335 YDGRPPOAWRDFMC-RYUDHWBXSA-N 309.366 -0.827 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)CN1CCCC1 1156927687 QXNDVACFOWCHGZ-CYBMUJFWSA-N 309.414 -0.451 30 20 DBED CNS(=O)(=O)CCC(=O)NCCC1=CCN(CC#N)CC1 1160142478 LXMGQOHIOGJPPB-UHFFFAOYSA-N 314.411 -0.412 30 20 DBED CC#CCN1CCC(CNC(=O)c2nnn(C)n2)(COC)CC1 1162420143 ZMIXSFYKIHZEMX-UHFFFAOYSA-N 320.397 -0.308 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)[C@H]1CC[C@@H](C(N)=O)C1 1166796092 CHTPBFCFWRNZOV-XQQFMLRXSA-N 322.409 -0.878 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)c1c[nH]c(C(N)=O)c1 1176186810 VXRLNEJALVUZKR-SNVBAGLBSA-N 321.381 -0.486 30 20 DBED CCN(CCC#N)C(=O)CN[C@H]1CCN(C(=O)CC(N)=O)[C@H]1C 1178395629 JCKWCFVNZFTHBH-RYUDHWBXSA-N 323.397 -0.797 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)CCc2cnn[nH]2)[C@H]1C 1179557639 KXBOLDVDTQVFJU-AAEUAGOBSA-N 318.381 -0.934 30 20 DBED C=CCNC(=O)CNC[C@@H]1CCN(C(=O)CC(N)=O)C[C@H]1C 1184098196 IUYRURJZTSQSLH-NEPJUHHUSA-N 310.398 -0.762 30 20 DBED C[C@@H]1CN(C(=O)c2cn(C)c(=O)cn2)CC[C@@H]1CNCC#N 1184852561 WYBBUWZPMXFZAK-VXGBXAGGSA-N 303.366 -0.008 30 20 DBED C#CCNC[C@H]1CCN(C(=O)CN2CC(=O)NC2=O)C[C@H]1C 1185326182 FGHDYNCSPMUKLG-VXGBXAGGSA-N 306.366 -0.754 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)c2cccc(=O)n2C)C1 1185576976 RPDFKCOKTUZTHE-GFCCVEGCSA-N 318.377 -0.508 30 20 DBED COCCS(=O)(=O)CC(=O)N1CC[C@H]2CN(CC#N)C[C@H]21 1188375768 LXBJZKSCQCWWNP-NWDGAFQWSA-N 315.395 -0.896 30 20 DBED CN(CC(=O)NCC#N)[C@@H]1CCN(C(=O)C[C@@H]2CCCO2)C1 1189066515 GJTXQQLMMYDLGG-OLZOCXBDSA-N 308.382 -0.272 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)[C@H]2CN(C)CCO2)C1 1189515958 DKGDOOZMIKJIDQ-UONOGXRCSA-N 324.425 -0.848 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CN(Cc2noc3c2COCC3)C[C@H]1O 1191873303 TTWMSLOTHXMTJL-ZWKOPEQDSA-N 320.349 -0.432 30 20 DBED C#CCN(C)[C@@H]1CCN(C(=O)CNC(=O)c2ccccn2)C1 1194218401 RBAQPETWCLHBQE-CYBMUJFWSA-N 300.362 -0.023 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)c2ncc(OC)cn2)C1 1194555839 BSMXQZBGCHNKQD-CHWSQXEVSA-N 322.365 -0.537 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)CC2=CCOCC2)C1 1195882005 UCYXPQLLTNNYBM-HUUCEWRRSA-N 308.378 -0.466 30 20 DBED COCCCNC(=O)CNC1CCN(C(=O)[C@H](C)C#N)CC1 1199825943 DJZMPSVXQPBVII-GFCCVEGCSA-N 310.398 -0.121 30 20 DBED C=CCOCC(=O)N1CCCO[C@@H](CNCC(=O)NCC#N)C1 1200109336 RQJWZYUIXWBXIX-ZDUSSCGKSA-N 324.381 -0.964 30 20 DBED C#CCCN[C@H]1C[C@H](NC(=O)Cn2ncn(C)c2=O)C12CCC2 1203095770 UCSXNMBTKLCWQW-STQMWFEESA-N 317.393 -0.378 30 20 DBED C#CCNCC1CCN(C(=O)CNS(=O)(=O)CC)CC1 1205415793 LEXUNQOSVAVFFI-UHFFFAOYSA-N 301.412 -0.613 30 20 DBED CCCC(=O)NCC(=O)N[C@@H]1CN(CC#CCOC)C[C@H]1C 1206372962 XECZNJFBNSASQP-ZIAGYGMSSA-N 309.410 -0.011 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)[C@@H]2CCCN2C)[C@H](C)C1 1206585967 JCZMFPVLIOMEKA-MCIONIFRSA-N 308.426 -0.181 30 20 DBED CCC[C@H](C(=O)N1CCC[C@@H](NCC#N)C1)S(N)(=O)=O 1208756831 ALCZUUCLCGDETR-GHMZBOCLSA-N 302.400 -0.452 30 20 DBED CO[C@@H]1CN(CC(=O)NCC(C)C)C[C@H]1NC(=O)[C@H](C)C#N 1212045451 NYEAOQJDYCDXSH-JHJVBQTASA-N 310.398 -0.266 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)/C=C\C2CC2)[C@H](OC)C1 1212086947 KZFYICSEHRLAQF-YOIVVXPQSA-N 305.378 -0.483 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(Cc2cnnn2C)C[C@H]1OC 1212187174 KZRWBNMIEJMLHZ-ZIAGYGMSSA-N 305.382 -0.066 30 20 DBED C#CCN1C[C@@H](NC(=O)CNC(=O)CC(C)(C)C)[C@H](OC)C1 1213878075 DIHYQVMJGJXHHF-CHWSQXEVSA-N 309.410 -0.013 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)CC[C@H]2CCCO2)C1 1219232499 QDZIBXISKUTZEC-KFWWJZLASA-N 310.394 -0.243 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@H](C)C(C)(C)C)C1 1219881656 HHAXJOVNGVOUBW-XQQFMLRXSA-N 309.410 -0.421 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)C(C)(C)CS(C)(=O)=O)C1 1221137380 HBZYAHWRXBXPDK-MNOVXSKESA-N 304.412 -0.596 30 20 DBED C=CCNC(=O)CN1CC[C@@H]2CN(C(=O)C3=COCCO3)[C@@H]2C1 1221240373 IVGMXJCBIISEGN-CHWSQXEVSA-N 321.377 -0.291 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CCN(C(=O)COCC)C[C@@H]21 1222219458 QMAIJDIVPJDLAN-KGLIPLIRSA-N 307.394 -0.305 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)[C@@H](C)NC(C)=O)CC1 1222299367 XIBODTIOVWWEIS-GFCCVEGCSA-N 322.409 -0.911 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]2CCN(CC(=O)NC(N)=O)[C@H]2C1 1222442424 KCYFNOGDOWZNKI-MXWKQRLJSA-N 307.354 -0.736 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)c1ccn(C)c1 1233601777 XOLAZZHNKBITTG-AWEZNQCLSA-N 302.378 -0.079 30 20 DBED C=CCCN1CC[C@@H]1CN(C)C(=O)Cn1cnc(C(N)=O)n1 1234415381 STTPKJIRMMLCHC-LLVKDONJSA-N 306.370 -0.514 30 20 DBED C#C[C@H](NC(=O)C(=O)NCCCNC(=O)C(C)C)[C@H]1CCCO1 1261154047 CANPPBRHYVMZLV-QWHCGFSZSA-N 323.393 -0.438 30 20 DBED COCCCN(CCOC)C(=O)C(=O)N1CC[C@@](F)(C#N)C1 1261315064 PEOGWZUSXHOXQN-CQSZACIVSA-N 315.345 -0.038 30 20 DBED N#CCCCS(=O)(=O)NC(=O)[C@@H]1CCCN(C(N)=O)C1 1320069918 DBWYDLGVJKRUBF-SECBINFHSA-N 302.356 -0.473 30 20 DBED COC(=O)c1ccccc1NC(=O)C(=O)NCC(=O)NCC#N 1323120643 KBFRGABZFCXYQU-UHFFFAOYSA-N 318.289 -0.832 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@@H]1C[C@H](OCC)[C@@H]1OC)[C@H]1CCCO1 1324239052 PBTPRINTJDDRAN-MQLXINIDSA-N 324.377 -0.408 30 20 DBED CC(C)[C@](C)(NC(=O)CCN/C(O)=C1/N=CC=CC1=O)C(N)=O 1324301390 ZUUKJGIYGSTGOP-LLNWESEBSA-N 322.365 -0.081 30 20 DBED C=C(C)COCCNC(=O)C(=O)N1C[C@@H]2CN(C(C)=O)C[C@@H]2C1 1331777811 NYTGSMLADLATLS-OKILXGFUSA-N 323.393 -0.368 30 20 DBED C[C@H]1c2nncn2CCN1C(=O)C(=O)N1CCC[C@H](C#N)C1 1335015121 HHXHUKXEXZSEBT-WDEREUQCSA-N 302.338 -0.057 30 20 DBED C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCC[C@H](C#N)C1 1335205927 YUJLJUQBPGZWEO-TUAOUCFPSA-N 308.382 -0.022 30 20 DBED C[C@H]1CN(C(=O)C(=O)N2CCC[C@H](C#N)C2)C[C@@H](C)N1CCO 1335685944 GRRNVVDLNIPPSX-HZSPNIEDSA-N 322.409 -0.338 30 20 DBED C#CCNC(=O)C1CCN(c2nnnn2C[C@H]2CCOC2)CC1 1340344095 PATPMOQASKIGCH-GFCCVEGCSA-N 318.381 -0.325 30 20 DBED COCCNC(=O)[C@H](C#N)C(=O)/C=C/c1ccc(C(N)=O)o1 1342630554 FEUVCSDYWDFZCD-XCRNYIDWSA-N 305.290 -0.137 30 20 DBED C=CC[C@@H](NC(=O)[C@H](CO)NC(=O)C(C)C)C(=O)OCC 1343730696 DTXPFRYNSFWOKM-MNOVXSKESA-N 300.355 -0.257 30 20 DBED N#Cc1ccncc1N1CCN(C(=O)C(=O)N2CC(F)C2)CC1 1345017286 GORZTJZPMAHMTD-UHFFFAOYSA-N 317.324 -0.218 30 20 DBED COC(=O)[C@@](C)(CO)NC(=O)CNC(=O)c1ccc(C#N)cc1 1363257123 SFBRKBWPOVXGGJ-OAHLLOKOSA-N 319.317 -0.672 30 20 DBED N#Cc1ncn(CCNC(=O)N2CCC3(CC2)COC(=O)N3)n1 1365587144 UJAZCQLZUBGUBN-UHFFFAOYSA-N 319.325 -0.566 30 20 DBED C[C@H](CNC(=O)[C@H](C)C#N)NC(=O)C1(S(C)(=O)=O)CCC1 1373076623 WIEUYIWWTXAJLM-NXEZZACHSA-N 315.395 -0.266 30 20 DBED C[C@H](C#N)C(=O)NCC1CCN(C(=O)CS(C)(=O)=O)CC1 1385423152 UMPPCSATLCMHTB-SNVBAGLBSA-N 315.395 -0.455 30 20 DBED C[C@@H](CNC(=O)[C@@H]1COCCO1)NC(=O)c1cc(C#N)c[nH]1 1397401474 UPFHLAYOBDQLSP-CABZTGNLSA-N 306.322 -0.464 30 20 DBED C[C@H](C#N)C(=O)N1CCC(O)(CNCc2nc(O)n[nH]2)CC1 1408144206 LWWGMYRXNLVFMK-SECBINFHSA-N 308.342 -0.887 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H](O)CNC(=O)[C@H]2CC23CC3)c1 1410101523 VSPWVXAUIBIQKD-GHMZBOCLSA-N 302.334 -0.107 30 20 DBED C[C@H]1CCC[C@]1(O)CNC(=O)CCn1cc(C#N)c(O)nc1=O 1413019599 TZFJZOXASIZNBA-BONVTDFDSA-N 320.349 -0.122 30 20 DBED CCNC(=O)CN1CCOC2(CCN(C(=O)[C@@H](C)C#N)CC2)C1 1422184174 JCTPQGZWYIIHKH-ZDUSSCGKSA-N 322.409 -0.024 30 20 DBED C[C@@H](C#N)C(=O)N1CC([C@H](C)NC(=O)C2(NC(N)=O)CC2)C1 1443216198 WUIMFKUYFYHSHR-IUCAKERBSA-N 307.354 -0.690 30 20 DBED CC[C@@H]1COCCN1C(=O)CCn1cc(C#N)c(O)nc1=O 1444156103 MPYMCAPJYLCHGP-LLVKDONJSA-N 306.322 -0.152 30 20 DBED N#Cc1cn(CCC(=O)N(CCO)C2CCC2)c(=O)nc1O 1447873479 BGFLOQOIWOQEEK-UHFFFAOYSA-N 306.322 -0.416 30 20 DBED C=C(Cl)CNC[C@H](O)CNC(=O)[C@@H](C)CS(C)(=O)=O 1482798080 FWGFRCMSGVCKEO-WPRPVWTQSA-N 312.819 -0.514 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@@H](C)CNC(=O)c1cn(C)c(=O)nc1O 1486876018 ONESGDSTYNORDR-IUCAKERBSA-N 321.337 -0.778 30 20 DBED CCC(=O)NCC(=O)NCC1(NC(=O)c2c[nH]c(C#N)c2)CC1 1505986931 IXVBUFMZKQHQQR-UHFFFAOYSA-N 317.349 -0.209 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nn[nH]n3)cn2)C1 1573586271 NCWZKELGGZSXDT-XHNCKOQMSA-N 313.325 -0.125 30 20 DBED C=CCN1CC[C@H](N(C)S(=O)(=O)[C@@H]2CCCNC2)C1=O 1574937426 WXFOMITWFQRMLE-NEPJUHHUSA-N 301.412 -0.213 30 20 DBED C#CCN(C(=O)C(=O)N1CCO[C@H](C(=O)O)C1)C1CCCC1 1588394933 AAGHXZSWEODBCX-LBPRGKRZSA-N 308.334 -0.297 30 20 DBED C#CC[C@H](NC(=O)[C@H](CO)NC(=O)c1ccc(F)cc1)C(=O)O 1588407269 FTGQIMHXPOVENG-RYUDHWBXSA-N 322.292 -0.491 30 20 DBED C#CCN1CCN(C(=O)CN[C@@](C)(CC(=O)O)C2CC2)CC1 1588476494 CSYJVBWUXPBFNJ-INIZCTEOSA-N 307.394 -0.003 30 20 DBED C[C@](C#N)(NC(=O)CN1CCC([C@H](O)C(=O)O)CC1)C1CC1 1589323389 CBNOLVKARIKCKA-DZGCQCFKSA-N 309.366 -0.048 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@H](CN=c2cc[nH]c(C(=O)O)n2)C1 1589329830 UBHMXIBOPCMGOP-VHSXEESVSA-N 319.321 -0.604 30 20 DBED N#Cc1nc(NC(=O)c2cnn3cccnc23)[nH]c1-c1nn[nH]n1 1592682381 YAPKNYLOTUJLLE-UHFFFAOYSA-N 321.264 -0.244 30 20 DBED COC(=O)[C@@H]1CN(C(=O)c2ccc(C#N)nc2)C[C@H]1C(=O)O 1598815822 IUCJICCCBLQNGM-GHMZBOCLSA-N 303.274 -0.101 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@H](NCc1nc(O)n[nH]1)C1CC1 1752461221 XVFMEKOMVZSSBU-QMTHXVAHSA-N 309.370 -0.178 30 20 DBED COCC#CCN[C@@H](CNC(=O)[C@H]1CCN(C)C(=O)C1)C1CC1 1752470547 HDDPYSFFMLPXCV-GJZGRUSLSA-N 321.421 -0.011 30 20 DBED COCC#CCNC[C@H]1CCN(C(=O)CCc2cnn[nH]2)C1 1752952489 ZTHJLULZRFXYFE-CYBMUJFWSA-N 305.382 -0.175 30 20 DBED C#CCNC(=O)CN[C@@H]1CCC[C@@H](NC(=O)COCC=C)C1 1752965533 QQCJDAZIHXCXGW-ZIAGYGMSSA-N 307.394 -0.045 30 20 DBED C=CCN1CC[C@@H](N(C)CCNC(=O)c2cnn(CC)n2)C1=O 1753048182 IWYFWNNWWYBHKP-CYBMUJFWSA-N 320.397 -0.254 30 20 DBED C[C@@H](NCC(=O)NCC#N)[C@@H]1CCCN(C(=O)CCN(C)C)C1 1753813137 GDUGLWGVQAGDGX-ZIAGYGMSSA-N 323.441 -0.205 30 20 DBED C#CCNC[C@@H]1[C@H](C)CCCN1C(=O)CS(=O)(=O)N(C)C 1753814346 PRZVMLRRNBFCHR-CHWSQXEVSA-N 315.439 -0.272 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)C1CC(F)(F)C1 1753916581 PSQNKDLDJRXQTL-GXSJLCMTSA-N 317.336 -0.764 30 20 DBED CC#CCN(C)C[C@@H](C)NC(=O)CCS(=O)(=O)N(C)C 1754335550 FFEBQBLEQWEJED-GFCCVEGCSA-N 303.428 -0.272 30 20 DBED C#CCNC(=O)[C@H](C)NC1(CNC(=O)c2cnn(CC)c2)CC1 1754510923 PJYOJWVJHICHEQ-LBPRGKRZSA-N 317.393 -0.107 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@]1(O)CCN(CC#CC)C1 1754753935 KDVKAHIHRGBVNB-RDJZCZTQSA-N 303.406 -0.340 30 20 DBED C#CCCCC(=O)N[C@]1(CO)CCCN([C@H](CC)C(N)=O)C1 1754854118 MVQCBQURBUUJFU-CZUORRHYSA-N 309.410 -0.003 30 20 DBED C[C@@H](NC(=O)c1ccoc1)C(=O)N(CCO)CCNCC#N 1754884454 NQYVVSNCMAWRDJ-LLVKDONJSA-N 308.338 -0.668 30 20 DBED Cn1nnc(CNC2(C)CCN(C(=O)CSCC#N)CC2)n1 1755125969 MRCYCDHBQMBPOE-UHFFFAOYSA-N 323.426 -0.062 30 20 DBED C#CCNC(=O)CNCC(C)(C)CN(C)C(=O)c1cnsn1 1755277811 RQYPNAIWIIOHHE-UHFFFAOYSA-N 323.422 -0.025 30 20 DBED C#CCNC(=O)CN(C)[C@@H](C)CNC(=O)c1cc(OC)ns1 1755299537 CRPMIKCDQACBEU-JTQLQIEISA-N 324.406 -0.049 30 20 DBED COC[C@@H](C)C(=O)N1CCC(N(C)CC(=O)NCC#N)CC1 1755528183 BIINLEGQFBHMID-GFCCVEGCSA-N 310.398 -0.169 30 20 DBED C=CCCC(=O)NC[C@H](CO)NCc1nnn(C(C)(C)C)n1 1755622143 CEMYTSPHIZEQON-LLVKDONJSA-N 310.402 -0.039 30 20 DBED CC#CCN[C@@H]1C[C@H](C)N(C(=O)CN2CCC(=O)NC2=O)C1 1755690064 MHJSCXKXDNRAQM-NWDGAFQWSA-N 306.366 -0.469 30 20 DBED C=C(Cl)CNC[C@H](O)CN(C)C(=O)C1(C(=O)NC)CC1 1755791815 OTUVTCLRQXDMGQ-JTQLQIEISA-N 303.790 -0.326 30 20 DBED C#CCNCCOCCN(C)C(=O)c1cc(=O)c(OC)c[nH]1 1755874588 OPLCWXYEAQPPFA-UHFFFAOYSA-N 307.350 -0.305 30 20 DBED C#CCO[C@@H](C)C(=O)NC1(CCO)CN(C(=O)c2ncc[nH]2)C1 1756083287 RAHWOCQKQFUJKD-NSHDSACASA-N 320.349 -0.859 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](CO)NC(=O)C1=CCOCC1 1756549800 GOTQGAPDKPIQDP-MCIONIFRSA-N 324.377 -0.483 30 20 DBED Cc1n[nH]cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC#N 1795083628 HXKGYKXBWJNQPM-GNXNZQSNSA-N 317.349 -0.165 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnoc1C)C2 1800451101 NMLWXBWFWCMNKI-GNXNZQSNSA-N 303.318 -0.181 30 20 DBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)C3CC3)C2)C1 1839806060 ZUTLORIOWSYJHT-INIZCTEOSA-N 320.345 -0.945 30 20 DBED C=C[C@@H](O)C(C)(C)C(=O)N1CC2(CCCN2C(=O)[C@@H](N)CN)C1 1843349444 FQMPZQSJMJKLGE-NWDGAFQWSA-N 324.425 -0.951 30 20 DBED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)[C@H](C)O)C1 1846168641 XWLBQTMKXHGVRO-FJOGCWAESA-N 321.377 -0.571 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C1CC(O)C1 1847510049 GYSMJDXMLMZGQF-UWMJVVDFSA-N 320.389 -0.003 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N1CCC(N2CCNC2=O)CC1 52217081 OWSSBNXDDIGQIC-LLVKDONJSA-N 323.397 -0.124 30 20 DBED C=CCNC(=O)NC(=O)CN1CC[C@@H](CN2CCOCC2)C1 129509094 JLAIQDITQNDYEM-ZDUSSCGKSA-N 310.398 -0.348 30 20 DBED C#CCNC(=O)COC(=O)CCN1C(=O)[C@H]2CCCC[C@H]2C1=O 135843924 IMUWCHOBDBNFAI-TXEJJXNPSA-N 320.345 -0.156 30 20 DBED C/N=C(/NCc1nnc(C)n1C)N1CCC[C@@H](CC(N)=O)C1 261676008 COSHZGIYFATWCH-NSHDSACASA-N 307.402 -0.214 30 20 DBED CN1C[C@H](NC(=O)C(=O)Nc2ccc(F)cc2C#N)CC1=O 267554508 KOYDGHIVBBWIMA-SNVBAGLBSA-N 304.281 -0.017 30 20 DBED CCN(C)C(=O)CO/N=C(\N)C1=C(N)C2(CCCC2)N(C)C1=O 273580945 ONRXKLRILIYDNZ-UHFFFAOYSA-N 323.397 -0.249 30 20 DBED CN(CCC#N)C(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cnn(C)c1 279484496 IPDJAKDCLGLPNC-QWHCGFSZSA-N 305.338 -0.310 30 20 DBED C[C@H](CN1CCOCC1)NS(=O)(=O)c1cncc(C#N)c1 289360940 AGGAUJXVDNUETN-LLVKDONJSA-N 310.379 -0.048 30 20 DBED CC#CCN(C)CC(=O)c1c(N)n(CC(C)C)c(=O)n(C)c1=O 298347928 MJANMXVGSORIHB-UHFFFAOYSA-N 320.393 -0.077 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCCCCOCC)C1=O 298794281 KZKQXNXOLOENJR-UHFFFAOYSA-N 311.338 -0.104 30 20 DBED C[C@H](CN1CCN(C)CC1)/N=C(/O)N1C[C@H]2COC[C@@H](C1)O2 328730430 HYLXYQJIBFUGIS-MCIONIFRSA-N 312.414 -0.364 30 20 DBED C[C@H](CN1CCOCC1)/N=C(/O)N1CCS(=O)(=O)CC1 328888102 PIHWMJVXXPEXAW-LLVKDONJSA-N 305.400 -0.649 30 20 DBED C[C@@](O)(C/N=C(/O)Nc1cnns1)CN1CCOCC1 330206331 DEJYEOJSCIMSHH-LLVKDONJSA-N 301.372 -0.053 30 20 DBED COC(=O)CN1CCN(S(=O)(=O)N(C)[C@@H](C)CC#N)CC1 330434103 XUQDZUZKRSNBCR-NSHDSACASA-N 318.399 -0.744 30 20 DBED CC/N=C(/O)NC(=O)[C@H](C)N1CCO[C@H](Cn2cncn2)C1 330638242 BNDDKJYWZNPBPN-QWRGUYRKSA-N 310.358 -0.583 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H]1CC(=O)N(C)C1=O 330672980 DTAODXWJTYSIHP-RKDXNWHRSA-N 302.356 -0.940 30 20 DBED CCS(=O)(=O)C[C@H](C)N(C)/C(O)=N/C[C@@H]1CN(C)CCO1 330756490 KOZGIBJIIZIPDH-NWDGAFQWSA-N 321.443 -0.014 30 20 DBED NS(=O)(=O)[C@@H]1CCN(/C(O)=N/CCOCC(F)(F)F)C1 331278285 GVSXFVSDPJQBLU-SSDOTTSWSA-N 319.305 -0.158 30 20 DBED CN(C[C@H]1CCCOC1)S(=O)(=O)N1CCO[C@H](C#N)C1 337096108 QWUYGXQHVZCEHJ-VXGBXAGGSA-N 303.384 -0.186 30 20 DBED COC(=O)CN(CC#N)C(=O)c1cc(S(N)(=O)=O)oc1C 344821125 ATDXBWQPFRVYAL-UHFFFAOYSA-N 315.307 -0.626 30 20 DBED N#Cc1ccc(-n2ccc(NC(=O)CNC(N)=O)n2)c(F)c1 345031898 VUFWDMNBBDJKTA-UHFFFAOYSA-N 302.269 0.490 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCCN2CCCC2)C1=O 354957088 WKSBFIVRWOVYJT-UHFFFAOYSA-N 308.338 -0.825 30 20 DBED CN(CCC#N)S(=O)(=O)N1CCC[C@@H](S(C)(=O)=O)C1 359212456 VHVUQXYAWWHRGC-SNVBAGLBSA-N 309.413 -0.414 30 20 DBED CCCN(CC#N)C(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 377552788 KHQLTOROPIEERF-CQSZACIVSA-N 322.409 -0.071 30 20 DBED C=CCN(CCOC)C(=O)C(=O)NCc1nccc(OC)n1 425902800 WGDHHEKDLFLEKD-UHFFFAOYSA-N 308.338 -0.238 30 20 DBED C#CCNC(=O)CCN1CCC[C@H](n2cc(C(=O)OC)nn2)C1 491164294 ACUZLCQWWIPRRD-LBPRGKRZSA-N 319.365 -0.159 30 20 DBED N#CCN1CCC[C@H](CNC(=O)CCC(=O)N2CCOCC2)C1 531120659 NVYLKHITXWRZIN-CQSZACIVSA-N 322.409 -0.023 30 20 DBED N#Cc1ccc(S(=O)(=O)N[C@H](C(=O)O)[C@@H]2CCOC2)cn1 548199193 KNVWESOVZSDDLP-KCJUWKMLSA-N 311.319 -0.279 30 20 DBED CC(C)(C#N)CCS(=O)(=O)NCCCNS(C)(=O)=O 554896048 SRKNCPAFZSEDSV-UHFFFAOYSA-N 311.429 -0.215 30 20 DBED CN(C)S(=O)(=O)N1CCCC[C@H]1CN=c1cc[nH]c(C#N)n1 569868005 RTFQIGTVMXDCBG-NSHDSACASA-N 324.410 -0.157 30 20 DBED COc1cc(C#N)ccc1S(=O)(=O)N1C[C@@H](O)[C@H](CO)C1 575002457 LHPBUEKVFPLUIQ-WDEREUQCSA-N 312.347 -0.459 30 20 DBED CN(CCO)S(=O)(=O)c1ccc(C(=O)N2CC(C#N)C2)cc1 590491447 ZXWSRFJLERHOGI-UHFFFAOYSA-N 323.374 -0.105 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N1CC(N2CC[C@@H](O)C2)C1 593651289 CMFJJCHFTDHRSC-ZYHUDNBSSA-N 302.400 -0.784 30 20 DBED CN(C[C@@H]1CCOC1)C(=O)C(=O)N1CCN(CCC#N)CC1 601473191 CESYCAIVLCJQRG-ZDUSSCGKSA-N 308.382 -0.461 30 20 DBED C=CCNC(=O)NC(=O)COc1ccc(S(N)(=O)=O)cc1 603599301 UMGLBZVEFLAZMX-UHFFFAOYSA-N 313.335 -0.275 30 20 DBED C=C[C@H](CO)NCC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O 662168053 RABLEHPAPWSNOE-SECBINFHSA-N 303.318 -0.013 30 20 DBED C=CCN(C(=O)[C@@H]1CCN(C)C1=O)[C@@H]1CCS(=O)(=O)C1 681536973 XAOZUUQWBFTQNE-GHMZBOCLSA-N 300.380 -0.334 30 20 DBED COCC(=O)N(C)CC(=O)OCC(=O)N[C@@](C)(C#N)C(C)C 758794687 JNARQIIGTWSSEV-AWEZNQCLSA-N 313.354 -0.311 30 20 DBED COC(=O)C[C@@]1(NC(=O)Cn2cnc(C#N)n2)CCCOC1 771656606 OIXKXLJTAAWTQI-ZDUSSCGKSA-N 307.310 -0.622 30 20 DBED C#C[C@H](NC(=O)c1ccc(=O)n(CCOC)n1)[C@@H]1CCCO1 772886587 GIYHMUCJBWPTQK-AAEUAGOBSA-N 305.334 -0.200 30 20 DBED C#C[C@@H](NC(=O)C(=O)Nc1cc(OC)ncn1)[C@H]1CCCO1 773792029 DTCWTTFFHQUHIB-NXEZZACHSA-N 304.306 -0.279 30 20 DBED Cn1ccnc1NN=Cc1nc2c(c(O)nc(=O)n2C)n1C 790302431 SSEYXRVJHXOARL-UHFFFAOYSA-N 302.298 -0.448 30 20 DBED C=C[C@@H](O)C(=O)O[C@H](C)C(=O)N1CCN(c2ncccn2)CC1 814549969 OLDQYSOEQZEBAN-VXGBXAGGSA-N 320.349 -0.396 30 20 DBED C=CCCC(=O)Cn1c(=O)c(-c2nn[nH]n2)cn(CC)c1=O 823888119 GEAYVHYCJQAEDW-UHFFFAOYSA-N 304.310 -0.255 30 20 DBED C#CC[C@H](NS(=O)(=O)c1ncn(C)c1Cl)C(=O)OC 841539379 BZULRFARITUOOO-ZETCQYMHSA-N 305.743 -0.083 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N[C@@H](C#C)[C@@H]1CCCO1 875322316 BFUYQLMZHOCBOC-RDBSUJKOSA-N 306.362 -0.172 30 20 DBED C#CC[C@@H](CCOC)NC(=O)N1CCO[C@H](CNC(C)=O)C1 875920233 YIRGHOMFRLKESY-UONOGXRCSA-N 311.382 -0.039 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC(C(N)=O)(N2CCCCC2)CC1 880251197 JSHVKPMYGICSCO-CQSZACIVSA-N 320.437 -0.070 30 20 DBED CCOC(=O)C(=O)N1CCN(c2cc(C#N)nc(C)n2)CC1 882027597 XWTUYUKCBWORCL-UHFFFAOYSA-N 303.322 -0.132 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)c3cnn[nH]3)C2)nc1 938374561 GQSWRKKUGIMVJQ-NSHDSACASA-N 310.317 -0.175 30 20 DBED C[C@@H]1CN(C(=O)C2(n3cnnn3)CCOCC2)C[C@H]1NCC#N 939290952 AAOJPFDNTLJPTP-VXGBXAGGSA-N 319.369 -0.861 30 20 DBED CCN1CCO[C@@H](C(=O)N[C@@H]2CCN(C(=O)C#CC3CC3)C2)C1 940794413 TUHNYPDETCQZOC-HUUCEWRRSA-N 319.405 -0.162 30 20 DBED C#Cc1cncc(C(=O)N(CC)[C@H]2CCN(C(=O)C(N)=O)C2)c1 942962734 UEVYMQCVIJMJAP-ZDUSSCGKSA-N 314.345 -0.389 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2CCN2C(=O)[C@H](O)C(C)C)nn1 950053667 YTFWMGHNSZXALN-DGCLKSJQSA-N 321.381 -0.188 30 20 DBED CN1CC[C@@H](C(=O)NC[C@H]2CCN2C(=O)C#CC2CC2)CC1=O 950952305 JCWGFTOIUKSWER-ZIAGYGMSSA-N 317.389 -0.015 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@H]2CNC(=O)c2nc[nH]n2)nc1 951587549 XJZRDYXQFRFXTE-NSHDSACASA-N 310.317 -0.175 30 20 DBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CCCN(C(=O)C(N)=O)C1 951859368 XOZILTOPNNRZIA-AVGNSLFASA-N 323.393 -0.050 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2cn3c(n2)CCCC3)C1 958117793 WGKOVCWNDAICOR-TZMCWYRMSA-N 302.378 -0.125 30 20 DBED Cc1nn(C)c(Cl)c1C(=O)NC[C@H]1CN(CC#N)C[C@@H]1O 958296230 DGLVMIVOHCYCFZ-UWVGGRQHSA-N 311.773 -0.072 30 20 DBED C=CCn1cc(C(=O)N2C[C@H]3[C@@H](C2)OCCN3C(C)=O)nn1 959855065 WROIBNNZUHUFSM-QWHCGFSZSA-N 305.338 -0.464 30 20 DBED O=C(Cn1ncnn1)NC1[C@@H]2CN(CC#Cc3ccccc3)C[C@@H]12 959909759 GAGJUDYZUIXHGG-HUUCEWRRSA-N 322.372 -0.229 30 20 DBED CC#CCN1C[C@@H]2C(NC(=O)CN3CCCS3(=O)=O)[C@H]2C1 960178921 CEJYFBYFLHEKCP-RYUDHWBXSA-N 311.407 -0.908 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)c1cnns1 964104833 DMQAXORNHNGPJQ-IUCAKERBSA-N 309.351 -0.345 30 20 DBED Cc1cnn(C)c1C(=O)NC[C@H]1COCCN1C(=O)[C@@H](C)C#N 964322456 CJMXEWFRDCKQGI-JQWIXIFHSA-N 319.365 -0.155 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CN(C(=O)c3cccnn3)CCO2)C1 965457964 WZDHFHZMUDNJJF-LLVKDONJSA-N 315.333 -0.310 30 20 DBED C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1NC(=O)c1cnn[nH]1 966338664 VLBIHEGDEVSVFX-PELKAZGASA-N 313.321 -0.105 30 20 DBED C=CCN1CC([C@@H](C)NC(=O)c2cn(CC(=O)N(C)C)nn2)C1 970927860 ICHLJWXOGIHZAJ-LLVKDONJSA-N 320.397 -0.398 30 20 DBED CC(=O)N1CCOC[C@@H]1C(=O)N[C@H]1CN(CC#N)CC1(C)C 977612376 HGDUICNDZCBOQO-OLZOCXBDSA-N 308.382 -0.416 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2[C@@H]3CN([C@H](C)C(N)=O)C[C@H]23)nc1 978993544 QLYJPDDVNPBYTD-ZRJCITRHSA-N 312.373 -0.156 30 20 DBED C#CCN[C@@H]1CCC[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)C1 981456071 IARVIROBRYRJAE-VXGBXAGGSA-N 306.366 -0.469 30 20 DBED C#CCN(C)C1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)CC1 985462504 NIAQBNKZIKQCKI-UHFFFAOYSA-N 318.377 -0.897 30 20 DBED CN(C[C@H]1CCN(C(=O)C(N)=O)C1)C(=O)c1c[nH]c(C#N)c1 988278498 DOVZNUIPLSBDRB-SECBINFHSA-N 303.322 -0.708 30 20 DBED C[C@@H]1C[C@H](NCC#N)CN1C(=O)c1cnn2c(=O)cc[nH]c12 989534274 TUCXNIMOAAUPDW-ZJUUUORDSA-N 300.322 -0.261 30 20 DBED CC(C)CN1C[C@H](C(=O)NC2CN(C(=O)[C@@H](C)C#N)C2)CC1=O 993778349 NLHPNNFRZZPKRY-NWDGAFQWSA-N 320.393 -0.022 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)[C@H]3COC(=O)N3)C2)nc1 997088500 RYDSBOMZHJVXSN-GFCCVEGCSA-N 314.301 -0.888 30 20 DBED C#CCN1CCC([C@H](C)NC(=O)[C@@H]2CCS(=O)(=O)N2)CC1 997871700 QIEUEGSANTYNIC-AAEUAGOBSA-N 313.423 -0.472 30 20 DBED C#CCNC1CC(N(C)C(=O)c2cc(=O)n3[nH]cnc3n2)C1 999681304 DCBYBJRHOKOTST-UHFFFAOYSA-N 300.322 -0.757 30 20 DBED C=CCCN1CCC(NC(=O)c2cn(CC(N)=O)nn2)CC1 1004207356 HNZZWIKWBFQHKN-UHFFFAOYSA-N 306.370 -0.466 30 20 DBED N#Cc1ccc(C(=O)N2C[C@@H]3C(NC(=O)Cn4cccn4)[C@H]3C2)[nH]1 1012773376 HRVDUUFBOMSPGM-RYUDHWBXSA-N 324.344 -0.030 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1[C@@H]2CN(C(=O)CC(N)=O)C[C@@H]12 1013814938 PFVRQWFUEBLNDY-DBIOUOCHSA-N 307.350 -0.974 30 20 DBED C#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CCN(C)S1(=O)=O 1018053453 XYDUICQIUJRREF-FRRDWIJNSA-N 311.407 -0.671 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CC[C@H](C)N(C(=O)C(N)=O)C2)nn1 1018159361 FOIYXGMYIRIPIJ-VHSXEESVSA-N 320.353 -0.941 30 20 DBED C=CCN1CC[C@@H](N[C@H]2C[C@H](NC(=O)[C@@H]3COC(=O)N3)C2)C1=O 1020121207 DIZVNSYHWKGHJX-KKOKHZNYSA-N 322.365 -0.882 30 20 DBED NC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H]2CCN(C(=O)C#CC3CC3)[C@@H]2C1 1021591019 MDQXALQIIFFUBI-RFQIPJPRSA-N 315.373 -0.420 30 20 DBED O=C1NC[C@@H](C(=O)N2CC[C@H]3CN(C(=O)C#CC4CC4)C[C@H]32)N1 1022547489 XHWHEMBLBBOCPD-RWMBFGLXSA-N 316.361 -0.860 30 20 DBED C#CCN[C@H]1C[C@@H](NC(=O)c2cn(C[C@@H]3CCOC3)nn2)C1 1022904294 JXGCAIITDUDDRG-RWMBFGLXSA-N 303.366 -0.202 30 20 DBED Cn1nccc1CC(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1023534198 YYPFGWVKAOZTGB-ZIAGYGMSSA-N 316.361 -0.936 30 20 DBED CN(CC#N)[C@H]1CCCN(C(=O)Cn2ccc(O)nc2=O)C1 1027483034 JYPDMPKICNHBEZ-NSHDSACASA-N 305.338 -0.605 30 20 DBED C=CCN1CC[C@@H](N2CC[C@@H](CNC(=O)c3cnn[nH]3)C2)C1=O 1028652890 GRZXWABHNOJYCP-WCQYABFASA-N 318.381 -0.357 30 20 DBED C=CCCn1cc(C(=O)NC[C@H]2CCN(CC(=O)NC)C2)nn1 1028855085 SXXAFULEQFJYBC-GFCCVEGCSA-N 320.397 -0.348 30 20 DBED N#CCN1[C@H]2CC[C@H]1CN(C(=O)[C@@H]1CCc3nnc(O)n3C1)C2 1029363556 AKFKGMLXDSNSRN-WOPDTQHZSA-N 316.365 -0.255 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)c2cc(=O)c(OC)c[nH]2)C1 1035453097 VCXSPYFQGQLJAX-NSHDSACASA-N 305.334 -0.553 30 20 DBED Cn1nccc1[C@@H]1C[C@H]1C(=O)NC[C@H]1CN(CC#N)CCO1 1035461107 UCMXCMDWHCYPAF-YNEHKIRRSA-N 303.366 -0.136 30 20 DBED N#Cc1cc(C(=O)N2CCC3(CC2)CN(CC(N)=O)C3)c[nH]1 1035689655 BDPIVAHODDHBHE-UHFFFAOYSA-N 301.350 -0.090 30 20 DBED C#CCCN1CC2(CCN(C(=O)[C@H]3CN(C)C(=O)N3)CC2)C1 1035768513 KANNKPVQWAELQA-CYBMUJFWSA-N 304.394 -0.042 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2CCN2CC(=O)NC2CC2)nn1 1038789235 FDMUTNMAKXVXIJ-GFCCVEGCSA-N 318.381 -0.453 30 20 DBED C=CC(C)(C)C(=O)NC[C@@]1(O)CCN(C(=O)Cn2nccn2)C1 1040487962 HNJVRXONYBFBFS-HNNXBMFYSA-N 321.381 -0.430 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)[C@@]2(C)CCNC2=O)C1 1042801708 RADQSLAVQODAGP-HNNXBMFYSA-N 321.377 -0.994 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)CC(=O)NCC)C1 1042802482 KCYPFOMUBZEDMC-UHFFFAOYSA-N 309.366 -0.994 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(O)(CNC(=O)[C@H](O)C(C)C)C1 1042877730 SZDUVZCLMRKKCS-OCCSQVGLSA-N 314.382 -0.980 30 20 DBED N#Cc1cnccc1N1C[C@H](O)[C@H](NC(=O)C2=COCCO2)C1 1043837976 WUEVKEZZMVUWSC-YPMHNXCESA-N 316.317 -0.493 30 20 DBED Cn1cncc1C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@@H]1O 1044288781 HHPBIQKALBEXIN-PWSUYJOCSA-N 313.321 -0.939 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)CCc2cncn2C)C1 1045547142 VVEKHOIUQMUUPO-NSHDSACASA-N 319.365 -0.798 30 20 DBED C[C@@H]1CCN(CC(=O)NCC2(O)CN(C(=O)C#CC3CC3)C2)C1 1046676322 FIZJKAYDBIFRDW-CYBMUJFWSA-N 319.405 -0.569 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3nnn(C)c3C2)C1 1047504071 YYYAYYRPBZRXBC-CQDKDKBSSA-N 317.393 -0.943 30 20 DBED Cc1csc(=O)n1CC(=O)N(C)[C@H]1CN(CC#N)C[C@@H]1O 1047624601 VMILYZWLZIAHIW-QWRGUYRKSA-N 310.379 -0.755 30 20 DBED C=C(Cl)CN1CCOC[C@@H]1CNC(=O)[C@@H]1CN(C)CCO1 1050859552 SGFAJXCYOUKLKI-STQMWFEESA-N 317.817 -0.114 30 20 DBED C=C(Cl)CN1CCOC[C@@H]1CNC(=O)[C@H]1COC(=O)N1 1050901656 CKUKUFMQNILFQM-VHSXEESVSA-N 303.746 -0.336 30 20 DBED CC(=O)N[C@@H]1CN(c2nc(C)cc(C#N)n2)C[C@@H]1n1ccnn1 1051396879 ZTJFKBMISCLYNP-OLZOCXBDSA-N 312.337 -0.186 30 20 DBED C=CCOCC(=O)N1C[C@@H](C)[C@H](CNC(=O)Cc2nc[nH]n2)C1 1052220508 KGNBHNCSYPRNJI-VXGBXAGGSA-N 321.381 -0.240 30 20 DBED Cn1cccc(C(=O)NC[C@@H]2CCC3(CN(CC#N)C3)O2)c1=O 1053685857 AKRGRIQOHDJIEQ-LBPRGKRZSA-N 316.361 -0.128 30 20 DBED CCN1CCO[C@H](C(=O)NC[C@@H]2CCC3(CN(CC#N)C3)O2)C1 1053699162 BURBAAJMPRAIAC-KBPBESRZSA-N 322.409 -0.420 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)C3CCN(C(N)=O)CC3)CO2)C1 1054003236 QBYBGOQZSYPVAN-ZDUSSCGKSA-N 320.393 -0.630 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)[C@@H]3CCC(=O)N(C)C3)CO2)C1 1054018223 ZISCBJVHRARBMX-ZIAGYGMSSA-N 319.405 -0.162 30 20 DBED COc1ccc(C#N)cc1CN[C@@H]1CN(C(=O)C(N)=O)C[C@@H]1C 1055020863 UXNWFCSPYOAJLQ-GXFFZTMASA-N 316.361 -0.011 30 20 DBED Cc1cc(N2CCN(C(=O)CS(C)(=O)=O)CC2)c(C#N)cn1 1055734018 JXVKMIZRCAQCOH-UHFFFAOYSA-N 322.390 -0.045 30 20 DBED C[C@@H](C#N)C(=O)N[C@]1(CO)CCCN(C(=O)Cc2ncc[nH]2)C1 1056098042 YPFUESDWUKPRLL-XHDPSFHLSA-N 319.365 -0.418 30 20 DBED N#Cc1nccnc1N1C[C@H]2C(NC(=O)C3=COCCO3)[C@@H]2C1 1056100286 MZJBDLWHLJYGEU-NXEZZACHSA-N 313.317 -0.213 30 20 DBED Cc1cc(C#N)nc(N2C[C@H]3C(NC(=O)c4cnn[nH]4)[C@@H]3C2)n1 1056469925 DCINURMICJBGIQ-NXEZZACHSA-N 310.321 -0.361 30 20 DBED CN1C[C@@H](C(=O)N2CC[C@@H](Nc3cnc(C#N)cn3)C2)CC1=O 1056805285 PASYAGOPPWBCAI-WDEREUQCSA-N 314.349 -0.161 30 20 DBED CN(c1ccc(C#N)nn1)[C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 1057012702 MWMAMQOFFPGUBM-GHMZBOCLSA-N 315.337 -0.933 30 20 DBED N#Cc1ccc(C(=O)NCCN(CCO)C(=O)c2ccon2)[nH]1 1057092504 NVBWCPHLYXDDLB-UHFFFAOYSA-N 317.305 -0.261 30 20 DBED C=CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)COC(C)C 1057137986 ZXWDXSOUXSVOKL-ZDUSSCGKSA-N 316.398 -0.060 30 20 DBED C=CCCOCC(=O)NCCN(CCO)C(=O)c1cnc(C)[nH]1 1057210627 NSPKPFJODYJBSK-UHFFFAOYSA-N 324.381 -0.138 30 20 DBED C=C(C)CCC(=O)NCCN(CCO)C(=O)[C@@H]1COC(=O)N1 1057477923 GGTAYZKGNAWROU-NSHDSACASA-N 313.354 -0.612 30 20 DBED C#CCOCCC(=O)N(CCO)CCNC(=O)c1ocnc1C 1057580270 BDNUGEGSRDSPBA-UHFFFAOYSA-N 323.349 -0.426 30 20 DBED CC(=O)N1CCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N 1058243775 XBQSLXXXMVLPPH-AAEUAGOBSA-N 324.381 -0.906 30 20 DBED N#Cc1nccnc1N[C@H]1CCN(C(=O)[C@H]2COCCO2)C1 1058845922 AEKBALYGQAYIHT-CMPLNLGQSA-N 303.322 -0.224 30 20 DBED Cc1nn[nH]c1C(=O)N1CC[C@@H](CN=c2cc[nH]c(C#N)n2)C1 1060957196 JFZZUADTIVNAND-JTQLQIEISA-N 312.337 -0.229 30 20 DBED O=C(C#CC1CC1)NC[C@H]1COCCN1C(=O)Cn1ccnc1 1061573812 YOUINWSHCDIYTD-AWEZNQCLSA-N 316.361 -0.360 30 20 DBED Cc1nc(CC(=O)N2CCOC[C@@H]2CNC(=O)[C@H](C)C#N)n[nH]1 1061847082 ILRMGYMKJUKYID-KOLCDFICSA-N 320.353 -0.841 30 20 DBED Cn1cc(C(=O)N2C[C@@H]3CC[C@H](C2)N3c2nccnc2C#N)nn1 1061957525 PHNUNZLMHXWOBU-PHIMTYICSA-N 324.348 -0.030 30 20 DBED CNC(=O)NCCC(=O)NC[C@H]1CCCCN1C(=O)[C@H](C)C#N 1062333428 QUPMISLVRRJDBD-VXGBXAGGSA-N 323.397 -0.038 30 20 DBED N#Cc1cccnc1N1C[C@H]2C[C@H]1[C@@H]2NC(=O)Cn1cncn1 1064257481 YVENLYFKOHOMMT-MBNYWOFBSA-N 309.333 -0.062 30 20 DBED N#CCSCC(=O)N1CCO[C@@H](CNC(=O)c2cn[nH]c2)C1 1064881363 SOUCPOTUTULHGY-NSHDSACASA-N 323.378 -0.376 30 20 DBED C=CCCC(=O)N1CCO[C@H](CNC(=O)[C@H]2CCCNC2=O)C1 1064960443 XFAVTNZQJABPFC-OLZOCXBDSA-N 323.393 -0.178 30 20 DBED Cn1cnc(C(=O)N2CCO[C@@H](CNC(=O)C#CC3CC3)C2)c1 1065046137 MIFCZRFJLINKRW-ZDUSSCGKSA-N 316.361 -0.209 30 20 DBED C#CCCCC(=O)N1CCO[C@H](CNC(=O)[C@@H]2CCC(=O)N2)C1 1065095178 FHTGHTWDEJHPDG-OLZOCXBDSA-N 321.377 -0.588 30 20 DBED C=CCO[C@H](C)C(=O)N1CCO[C@H](CNC(=O)CCOC)C1 1065277892 CDRZKUJFKFAZEP-CHWSQXEVSA-N 314.382 -0.042 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)Cn2cncn2)CCO1 1065639354 VZPSAWPLCRUYRC-CYBMUJFWSA-N 319.365 -0.719 30 20 DBED N#Cc1nccc(N2CCOC[C@H]2CNC(=O)[C@H]2CCCO2)n1 1066457949 WOHHYVUUVBZKAI-VXGBXAGGSA-N 317.349 -0.151 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1Cc2ccccc2CN1C(=O)C(N)=O 1069686238 HFFLASPPYYMDMD-GXFFZTMASA-N 314.345 -0.299 30 20 DBED O=C(C#CC1CC1)NC1(CNC(=O)c2cnon2)CCOCC1 1070111906 FENAAKDEOFOIRX-UHFFFAOYSA-N 318.333 -0.122 30 20 DBED C=CCCC(=O)N1C[C@@H](NC(=O)CS(=O)(=O)NC)[C@H](C)C1 1071784535 GAYPOXSWNXFIKD-GHMZBOCLSA-N 317.411 -0.535 30 20 DBED C#CCOCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)Cn2cccn2)C1 1072096952 GLCPGTOZQAYPOJ-KGLIPLIRSA-N 318.377 -0.114 30 20 DBED C=CCCOCC(=O)N1C[C@H](C)[C@@H](NC(=O)Cn2nccn2)C1 1072335716 GGEHDTDJJVHNFD-STQMWFEESA-N 321.381 -0.166 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@@H]1C 1072389973 KEYPDGFSZRYFCA-CMPLNLGQSA-N 307.354 -0.406 30 20 DBED C[C@H](C#N)C(=O)NC1(C)CCN(C(=O)Cn2ncnn2)CC1 1073048333 SLSWPGBAICEBAO-SNVBAGLBSA-N 305.342 -0.670 30 20 DBED C#CCCN1CCCO[C@H](CNC(=O)c2nnc(O)nc2O)C1 1073679648 RAWCXAUSDGITCC-SNVBAGLBSA-N 321.337 -0.873 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(C(=O)c2cnn(C)n2)C[C@H]1C 1073820890 XQTIMOGOAIONAM-VXGBXAGGSA-N 321.381 -0.016 30 20 DBED Cc1c[nH]c(C(=O)NCC2(O)CCN(C(=O)[C@H](C)C#N)CC2)n1 1074706488 LJXVSDGLYSEDQU-SNVBAGLBSA-N 319.365 -0.039 30 20 DBED C#CCO[C@H](C)C(=O)NCC[C@H](C)NC(=O)c1cnc(O)n1C 1076512479 ZIYNGFDGSDJOIN-WDEREUQCSA-N 322.365 -0.211 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)c2ccnc(NC(C)=O)c2)C1 1077868859 CKYMKTSOAVYFES-ZIAGYGMSSA-N 316.361 -0.162 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3nc[nH]c3C2)C1 1077963979 ODMBZLAOBKQVOL-KCPJHIHWSA-N 302.378 -0.301 30 20 DBED C#CCOc1ncccc1C(=O)N[C@@H]1CN(CCF)C[C@H]1O 1078027653 BJBIWPZBZBGOHF-CHWSQXEVSA-N 307.325 -0.162 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)CCOC)C[C@H]1O 1081346617 KKLZAOVGCGWQKI-VXGBXAGGSA-N 300.355 -0.839 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1ccnn1C 1081972794 OEJSMQSLQOAXSA-HKUMRIAESA-N 303.366 -0.137 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CN1CCCNC1=O 1083130482 ROJKTEASYRYZAV-UONOGXRCSA-N 320.393 -0.663 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2cc([C@@H]3CCCN3C)[nH]n2)C1 1083477619 WMWPUXJIMUZBDO-ILXRZTDVSA-N 317.393 -0.416 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2CC(=O)N(CC)C2)C1 1083503224 KNJMHRCTKVMKPY-UTUOFQBUSA-N 315.801 -0.231 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CCN(CCN3CCNC3=O)C[C@H]21 1084236676 NJJSLFUUWBLXLR-JHJVBQTASA-N 305.382 -0.296 30 20 DBED C=CCCn1cc(C(=O)NC[C@H]2C[C@@H](N[C@H](C)C(N)=O)C2)nn1 1086221641 CPOOBYJFJXEAHB-UTUOFQBUSA-N 320.397 -0.174 30 20 DBED Cn1cc([C@@H]2CN(C(=O)c3ccncn3)C[C@H]2NCC#N)cn1 1087002176 LQVFZUNCWNVSQS-GXTWGEPZSA-N 311.349 -0.069 30 20 DBED C#CCN1CC[C@H](NC(=O)[C@H]2COCCN2C(C)=O)[C@H]1CC 1087834733 SJRMQWCTYSOUDZ-RRFJBIMHSA-N 307.394 -0.164 30 20 DBED C=CCCN1CC[C@H](NC(=O)c2cnc(O)n(C)c2=O)[C@@H](O)C1 1090485520 IPDQAUMBCWHXBR-RYUDHWBXSA-N 322.365 -0.773 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1091153302 ZVVZFVSQIFXVRC-UHTWSYAYSA-N 315.333 -0.948 30 20 DBED N#Cc1nc(=NCCNC(=O)C[C@@H]2CCC(=O)NC2)cc[nH]1 1093924906 XDGJCTGUWNDTKR-JTQLQIEISA-N 302.338 -0.785 30 20 DBED N#CCN1CC(n2cc(CNC(=O)c3cnnc(O)c3)nn2)C1 1094298648 VKQOBKKWDAAYNA-UHFFFAOYSA-N 314.309 -0.916 30 20 DBED N#Cc1cccnc1NCCCNC(=O)CN1C(=O)CNC1=O 1094424692 LYFKEJSYHRSRMZ-UHFFFAOYSA-N 316.321 -0.577 30 20 DBED N#Cc1c[nH]ccc1=NCCCNC(=O)[C@H]1CCCC(=O)N1 1094633796 UAYKNEAKRMGAGZ-CYBMUJFWSA-N 301.350 -0.038 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)c3ccnn3C)CC2=O)C1 1094714666 ZLTNBUBOSKQIIY-NSHDSACASA-N 303.366 -0.379 30 20 DBED CC(=O)N[C@H](C)C(=O)N1CC[C@@H](Nc2ccc(C#N)nn2)C1 1095009502 CLDRXNCBRQSKPI-BXKDBHETSA-N 302.338 -0.114 30 20 DBED CCN(CCCNC(=O)[C@H]1COC(=O)N1)c1ccc(C#N)nn1 1095870917 POELIYONFVIMAZ-LLVKDONJSA-N 318.337 -0.211 30 20 DBED CCN(CCCNC(=O)[C@H]1CCNC1=O)c1ccc(C#N)nn1 1095942591 JDTBBUMOHMXCFM-GFCCVEGCSA-N 316.365 -0.183 30 20 DBED CNC(=O)NCCC(=O)NC[C@H](C)N=c1cc[nH]cc1C#N 1097806901 YGBIYTNAKQQURR-JTQLQIEISA-N 304.354 -0.389 30 20 DBED C[C@@H](CNC(=O)C1CC(=O)NC(=O)C1)Nc1ccc(C#N)nn1 1097937585 ZPJZTHAODAYKLN-QMMMGPOBSA-N 316.321 -0.682 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)C1(C(N)=O)CC1)C[C@H](C)O2 1098631461 ZGDQLHHGDLKLFV-ZDUSSCGKSA-N 319.405 -0.033 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2cnc(C)[nH]2)[C@@H](O)C1 1099726837 KCWDRWHTBXLCTL-JSGCOSHPSA-N 306.366 -0.467 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)CC(=O)NCC)[C@@H](O)C1 1099796853 KAMMFJNFAYPEHV-OLZOCXBDSA-N 313.398 -0.733 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)Cc2ccn(C)n2)[C@@H](O)C1 1099816063 QHOWWMBLVDTNGT-GJZGRUSLSA-N 322.409 -0.283 30 20 DBED CN1CCO[C@H](C(=O)NCCN(C)c2ncc(C#N)cc2F)C1 1099996417 GRKLEODCOISTSF-ZDUSSCGKSA-N 321.356 -0.025 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)CCCC(N)=O)[C@H](O)C1 1100142530 DQTXOLZXYCQZNZ-QWHCGFSZSA-N 313.398 -0.604 30 20 DBED CN(CCNC(=O)CNC(=O)C1CCC1)c1cncc(C#N)n1 1100155525 OADICEAOHJHSAF-UHFFFAOYSA-N 316.365 -0.183 30 20 DBED CCN(CCNC(=O)[C@H](C)CC(N)=O)c1cnc(C#N)cn1 1100676954 VCASOEDKVDMMNK-SNVBAGLBSA-N 304.354 -0.198 30 20 DBED CCN(CCNC(=O)CC(=O)N(C)C)c1cnc(C#N)cn1 1100743449 BIROXVGLYMAJGV-UHFFFAOYSA-N 304.354 -0.231 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H]2CN(C(=O)COCC)C[C@]2(C)C1 1101116744 DGQQHJWLWPPDOK-VBQJREDUSA-N 321.421 -0.059 30 20 DBED C[C@@]12CN(CC(=O)NCC#N)C[C@@H]1CN(C(=O)c1cnco1)C2 1101316185 VJXFAYZDDUOGSE-ABAIWWIYSA-N 317.349 -0.292 30 20 DBED CN(CCNc1cnc(C#N)cn1)C(=O)CN1C(=O)CCC1=O 1101609520 HIEQNQFDVBKIOE-UHFFFAOYSA-N 316.321 -0.632 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H]1CC2(CN(CCO)C2)n2ccnc21 1101629566 WATNTSJPAHOBNN-STQMWFEESA-N 318.377 -0.514 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)C[C@H]2CCCO2)C1 1101748254 CXUFYEJZMFUVQP-RBSFLKMASA-N 321.421 -0.011 30 20 DBED CN(CCNc1nccnc1C#N)C(=O)C[C@H]1CCNC1=O 1101823036 LUYPVSLTNNSHGX-SNVBAGLBSA-N 302.338 -0.255 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1CNC(=O)Cc1ccon1 1101845036 DFBRBVBTWSTHPZ-VXGBXAGGSA-N 319.365 -0.459 30 20 DBED Cc1cc(C#N)nc(NCCN(C)C(=O)[C@H]2C[C@H]2C(N)=O)n1 1101973256 UKUARUTURRRBNN-MNOVXSKESA-N 302.338 -0.352 30 20 DBED CC[C@H](CNC(=O)C[C@@H]1CCNC1=O)N=c1cc[nH]c(C#N)n1 1103214450 SEVHUWQVQADDFX-WDEREUQCSA-N 316.365 -0.397 30 20 DBED Cc1cc(C#N)nc(NC[C@H](C)CNC(=O)[C@@H]2CCNC2=O)n1 1104157429 MWBFVKZIPHSLRG-BXKDBHETSA-N 316.365 -0.043 30 20 DBED CC(C)[C@H](CNC(=O)c1cn(C)nn1)N=c1cc[nH]c(C#N)n1 1105169875 ZWPTVMXAAZODAF-JTQLQIEISA-N 314.353 -0.235 30 20 DBED CN(CCN(C)c1cnc(C#N)cn1)C(=O)[C@H]1CCC(=O)N1 1105352172 HZLSICMBARRTHN-LLVKDONJSA-N 302.338 -0.479 30 20 DBED CN(CCN(C)c1cnc(C#N)cn1)C(=O)C(=O)NCC1CC1 1105448463 WMYMBMZELALXNO-UHFFFAOYSA-N 316.365 -0.231 30 20 DBED Cc1ccc(C(=O)NC[C@H](O)CN=c2cc[nH]c(C#N)n2)n1C 1105720135 QHSFYVOXZWGLIO-LLVKDONJSA-N 314.349 -0.380 30 20 DBED N#Cc1nc(=NC[C@@H](O)CNC(=O)c2ccccc2O)cc[nH]1 1105755605 LRKAUBWUXFDTDJ-SNVBAGLBSA-N 313.317 -0.321 30 20 DBED CCn1ccc(C(=O)NC[C@H](O)CNc2cnc(C#N)cn2)n1 1105981933 FWVWZQUFIQJLMV-LLVKDONJSA-N 315.337 -0.233 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)Cc2cnc[nH]2)nc1 1106129082 BISYCMLOVHUUDD-LBPRGKRZSA-N 300.322 -0.192 30 20 DBED N#CCN1CC(n2cc(CNC(=O)CCc3cnc[nH]3)nn2)C1 1107178094 HDXGWDGRGBJPAS-UHFFFAOYSA-N 314.353 -0.370 30 20 DBED CC#CCN1CC(n2cc(CNC(=O)[C@@H](C)CC(N)=O)nn2)C1 1107191360 SATFIGRQIMECEC-NSHDSACASA-N 318.381 -0.714 30 20 DBED CC(C)(C(N)=O)C(=O)NC/C=C/CNc1cnc(C#N)cn1 1107386278 GSYLBRVSFRJFMM-ONEGZZNKSA-N 302.338 -0.056 30 20 DBED N#Cc1c[nH]ccc1=NC/C=C\CNC(=O)[C@H]1CNC(=O)N1 1107489777 IYWJIPHQSCYHQO-UDSFMNFJSA-N 300.322 -0.859 30 20 DBED CNC(=O)NCCC(=O)N[C@H](C)CNc1cnc(C#N)cn1 1107733390 HHPNJLROXGENCG-SECBINFHSA-N 305.342 -0.416 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)c2coc(C(N)=O)c2)C1 1108095653 ASDSNKYPLZBPCD-OAHLLOKOSA-N 305.334 -0.168 30 20 DBED C=C(C)CN1CCO[C@@](C)(CNC(=O)C2CC(=O)NC(=O)C2)C1 1108278348 MHIQXNFGDXJYIW-INIZCTEOSA-N 323.393 -0.178 30 20 DBED C[C@@H](CNc1ccc(C#N)cn1)NC(=O)CN1C(=O)CNC1=O 1108373098 IFWLVCXWALACPD-VIFPVBQESA-N 316.321 -0.578 30 20 DBED CCN1CCO[C@H](C(=O)N[C@@H](C)CNc2cnc(C#N)cn2)C1 1108396565 SCWFBTMZFIFUSR-AAEUAGOBSA-N 318.381 -0.014 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)[C@@H]1CCNC(=O)CC1 1108614781 WOPBMRYXSUZWIT-QWRGUYRKSA-N 316.365 -0.397 30 20 DBED C[C@@H](CNc1cncc(C#N)n1)NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 1108706828 LCACAUZEYMSGCE-INTQDDNPSA-N 318.337 -0.702 30 20 DBED Cc1nsc(N(C)C[C@@H](C)NC(=O)Cn2cnnn2)c1C#N 1108850486 OIWBQPAHJNGOCD-MRVPVSSYSA-N 320.382 -0.049 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H]1COC(=O)N1 1109218628 PELUHOACYWDKLM-VOAKCMCISA-N 307.350 -0.534 30 20 DBED C#CCCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H](C)NC(=O)COC 1109325032 UBQODPYJBGQAGH-MQYQWHSLSA-N 307.394 -0.118 30 20 DBED C=CCOCCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H]1CNC(=O)N1 1109653387 UFPZVTWILXOWEP-XQHKEYJVSA-N 308.382 -0.408 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1[C@H]2C[C@H]1N(c1cc(C)ncn1)C2 1109704579 XAJMBPQYDYFWJX-HWWQOWPSSA-N 313.361 -0.382 30 20 DBED CC(=O)N[C@H](C)C(=O)N[C@H](CN=c1cc[nH]c(C#N)n1)C1CC1 1109750854 OSBDCNHJVIHMKQ-BXKDBHETSA-N 316.365 -0.399 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)[C@H]2CCC(=O)N2)CC1 1112696252 SWYJZLUJCHSJOL-VXGBXAGGSA-N 308.382 -0.900 30 20 DBED C=CCC[C@@H](C)N1CCN(C(=O)Cn2cnc(C(N)=O)n2)CC1 1112865248 YYDGOZHJHVFTOX-GFCCVEGCSA-N 320.397 -0.124 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)Cc2cnc(C)o2)CC1 1112960460 LITUDQWNGPUAQF-GFCCVEGCSA-N 318.377 -0.192 30 20 DBED C[C@@H](CNC(=O)CS(C)(=O)=O)N(C)c1ccnc(C#N)n1 1113520428 BNRAJYSZXDZVBR-VIFPVBQESA-N 311.367 -0.666 30 20 DBED C[C@H](NC(N)=O)C(=O)NC[C@@H](C)N(C)c1cnc(C#N)cn1 1113576318 KSDLLBMZKOZDJS-BDAKNGLRSA-N 305.342 -0.654 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1[C@@H]2CN(Cc3ccn(C)n3)C[C@@H]21 1114158003 OFQQEAJFNJWTSQ-VIKVFOODSA-N 315.377 -0.894 30 20 DBED CNC(=O)NCCC(=O)NC1[C@@H]2CN(CC#CCOC)C[C@@H]12 1114222505 AACDRHWVNYBZHL-VXGBXAGGSA-N 308.382 -0.998 30 20 DBED CC(C)C#CC(=O)N[C@H]1[C@@H]2CN(CC(=O)N3CCOCC3)C[C@@H]21 1114237796 SPGXMRXWBBOXFJ-HALDLXJZSA-N 319.405 -0.449 30 20 DBED CC1(C)CN(c2cnc(C#N)cn2)C[C@H]1NC(=O)CNC(N)=O 1114424435 XLTBMYSMUWBZMA-SNVBAGLBSA-N 317.353 -0.652 30 20 DBED C=CCOCCN1C[C@H]2[C@H](NC(=O)[C@H]3CCC(=O)N3C)[C@H]2C1 1114727379 VIQLSCYUJBDPOF-COMQUAJESA-N 307.394 -0.144 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)c3conc3C)[C@H]2C1 1114765774 LFUYPKCBACABMQ-NMKXLXIOSA-N 316.361 -0.219 30 20 DBED N#Cc1nc(=NC[C@H]2C[C@H](NC(=O)CCCC(N)=O)C2)cc[nH]1 1114775137 BPAMWSRFUCYLKV-XYPYZODXSA-N 316.365 -0.268 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@@H]3CCO[C@H]3C=C)[C@H]2C1 1114860305 YZDWYIOGDCPSOV-NJURLYQPSA-N 317.389 -0.627 30 20 DBED C[C@H](CCCN=c1cc[nH]c(C#N)n1)NC(=O)[C@H]1COCCO1 1114865757 CDTDHPDOTHDKGD-VXGBXAGGSA-N 319.365 -0.118 30 20 DBED C=CCCN1C[C@H]2[C@H](NC(=O)COCc3ncnn3C)[C@H]2C1 1115043434 BGHSWPHDDZEEBV-JYAVWHMHSA-N 305.382 -0.046 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 1117529384 VSXFPFKUURBJEQ-UPJWGTAASA-N 311.382 -0.717 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCc3nc(COC)nn3C2)nn1 1118219656 XFOHGBQKNDWDQG-SNVBAGLBSA-N 317.353 -0.053 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(C)CC2CCNCC2)C1=O 1122471101 NSSGGLADUBNBMQ-UHFFFAOYSA-N 322.365 -0.579 30 20 DBED CN(C[C@H](O)CNc1ccc(C#N)nc1)C(=O)[C@@H]1COCCO1 1124047738 WOTAUTDKIZTLTI-KGLIPLIRSA-N 320.349 -0.400 30 20 DBED CCOCC(=O)N(C)C[C@H](O)CN=c1cc(C)[nH]cc1C#N 1124071872 GPHBVBGPHJAJTB-CYBMUJFWSA-N 306.366 -0.049 30 20 DBED CN(C[C@H](O)CNc1ccc(C#N)nn1)C(=O)c1ncn(C)n1 1124295734 KNPNIZZMGOZUKV-SNVBAGLBSA-N 316.325 -0.978 30 20 DBED CCN(CC)CC(=O)N(C)C[C@H](O)CNc1cnc(C#N)cn1 1124364316 GJQKKTDGDBOALH-CYBMUJFWSA-N 320.397 -0.079 30 20 DBED C=CCOCC(=O)NCCN[C@H](C)C(=O)NCCCOC 1124772620 HCQYCVXTKOWCNW-GFCCVEGCSA-N 301.387 -0.564 30 20 DBED COC[C@@H](C)OC[C@@H](O)CNCCNC(=O)c1cc(C#N)c[nH]1 1125360707 JCGYLFRPHUSOKX-YPMHNXCESA-N 324.381 -0.382 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)Cc1ccc(C)o1 1125858503 AUECFUHCHIOZEZ-UHFFFAOYSA-N 322.365 -0.152 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCNCC(=O)NC[C@H]1CCCO1 1126366450 VQXVUMNSXBLWLX-IUODEOHRSA-N 313.398 -0.686 30 20 DBED N#Cc1ccc(N2CCC(C3(NC(=O)C(N)=O)CC3)CC2)nn1 1127139653 JFUNDYZVYXPVPW-UHFFFAOYSA-N 314.349 -0.301 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@@H]1CCCc2c[nH]nc21 1127339443 ZQJITTRFOLXFMH-GFCCVEGCSA-N 305.382 -0.162 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1ccc2cccnc2n1 1127811092 ZMIVHKLPHAPOMS-UHFFFAOYSA-N 311.345 -0.301 30 20 DBED C=CCOCCNCCNC(=O)[C@@H](C)NS(=O)(=O)CC 1127860491 OKEDGSYRVYMBNS-LLVKDONJSA-N 307.416 -0.777 30 20 DBED C#CCCNCc1nnc2n1CC[C@@H](NC(=O)CC(N)=O)CC2 1127984274 LUSYTJLAYWKLOD-NSHDSACASA-N 318.381 -0.913 30 20 DBED C#CCCN1CCn2ncc(CNC(=O)CCCC(N)=O)c2C1 1128599367 PEVNMGNMZHSPAX-UHFFFAOYSA-N 317.393 -0.006 30 20 DBED CN(C)[C@H](C(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1)C1CC1 1129043178 LBEUSWHUUBQYRA-RDBSUJKOSA-N 317.397 -0.517 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)Cc1cnn(C)c1C 1129066330 XTDDDXDWAOIRGN-NSHDSACASA-N 305.382 -0.885 30 20 DBED CC#CCN[C@@H]1CN(C(=O)c2cnnn2C)C[C@@H]1n1ccnn1 1129795828 QUJFBINAKPDJGX-YPMHNXCESA-N 314.353 -0.915 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1cc2cccn2cn1 1130139423 IHVHNTQTLBAPEC-UHFFFAOYSA-N 301.350 -0.044 30 20 DBED C#CCNC(=O)CN1C[C@H](NC(=O)COCC=C)CC[C@@H]1C 1131945935 DFKOGIGHMHRGEY-UONOGXRCSA-N 307.394 -0.093 30 20 DBED C#CCNC(=O)CN1C[C@H](NC(=O)CC(C)(C)O)CC[C@H]1C 1132009604 NOLCAVGCKZBKPB-CHWSQXEVSA-N 309.410 -0.134 30 20 DBED C=CCNC(=O)CN1C[C@H](NC(=O)Cn2cncn2)CC[C@@H]1C 1132462997 AXHKNRBUUXGART-QWHCGFSZSA-N 320.397 -0.451 30 20 DBED CN(C)Cc1ccoc1C(=O)NCCNCC(=O)NCC#N 1132983715 IZDMAOQAOSHHHW-UHFFFAOYSA-N 307.354 -0.700 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@@H]1CCCc2nn[nH]c21 1133000674 GULPJJRATPYDQH-SNVBAGLBSA-N 306.370 -0.767 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)CC[C@H]1C 1133306791 QHHBSEOCNCVFEV-CHWSQXEVSA-N 320.393 -0.364 30 20 DBED C#Cc1cncc(C(=O)NCCNCCN2C(=O)CCC2=O)c1 1133597378 PRVPMQGMHLGEOZ-UHFFFAOYSA-N 314.345 -0.469 30 20 DBED C[C@@H](C[C@@H](C)NCC(=O)NCC#N)NC(=O)C1=CCOCC1 1134159717 DBDFRPSTBPSWED-NEPJUHHUSA-N 308.382 -0.154 30 20 DBED C=CCC(C)(C)C(=O)NCCNCC(=O)N1CCNC(=O)C1 1134412119 VLBVOCQDBXGZKY-UHFFFAOYSA-N 310.398 -0.747 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)c1[nH]c(O)nc1C 1134681304 VFXVKDDCEQVBSJ-UWVGGRQHSA-N 321.381 -0.340 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1ccc(CN(C)C)cc1 1135337282 YLDDSCBCZSHKJR-UHFFFAOYSA-N 316.405 -0.183 30 20 DBED C=CCNC(=O)CN1CCC2(C1)CN(C(=O)c1nonc1C)C2 1148905861 QTGCMUUGAUJIRA-UHFFFAOYSA-N 319.365 -0.172 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)Cn2nc(C)ccc2=O)C1 1150620939 ZSVOROAZGDZLKV-CQSZACIVSA-N 318.377 -0.608 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@](C)(NC(C)=O)C(C)C 1152899090 NGVSOXNJNWYZSV-MLGOLLRUSA-N 324.425 -0.619 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)Cc1nnc(C)o1 1153133421 KLYSRBKDSZLCSO-LLVKDONJSA-N 321.381 -0.503 30 20 DBED COCCOC[C@H](O)CNCCCNC(=O)c1cc(C#N)c[nH]1 1156282621 ZNCORVDLFJTLOP-CYBMUJFWSA-N 324.381 -0.380 30 20 DBED C#CCNC(=O)CC(=O)NCCCNCc1noc(CCC)n1 1156852447 DYVAWKMQWZLSAE-UHFFFAOYSA-N 321.381 -0.243 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)[C@H]1CCN(C)[C@@H]1CC 1158412085 LUFFGKNOOZMYCH-QLFBSQMISA-N 322.453 -0.050 30 20 DBED COCC1(CNC(=O)[C@H]2CN(C)C(=O)N2)CCN(CC#N)CC1 1162391861 HDFDWBFOORIMDF-GFCCVEGCSA-N 323.397 -0.622 30 20 DBED C=CCOCCNCCCNC(=O)c1cnc(O)n(C)c1=O 1163781457 KGJDVQNBRMSJKU-UHFFFAOYSA-N 310.354 -0.602 30 20 DBED C[C@@H](C#N)C(=O)NCCC1(CNCCNS(C)(=O)=O)CC1 1163842200 VVLPAYJOSLSGNR-NSHDSACASA-N 316.427 -0.429 30 20 DBED C=CCOCCNCC1(CCNC(=O)CNC(=O)NC)CC1 1165349335 ZRSJOYSLXCDFSP-UHFFFAOYSA-N 312.414 -0.006 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)NCCCN[C@@H](CC)C(N)=O 1167677899 LAOQEYUFBUMIAQ-QWHCGFSZSA-N 312.414 -0.183 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2ccc(C)nn2)[C@H]1C 1178653684 YVOAPZJJXUDHGH-STQMWFEESA-N 315.377 -0.273 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)[C@H]2CCCO2)[C@H]1C 1180227012 XXFYHBPNAQFKBP-ZOBORPQBSA-N 307.394 -0.118 30 20 DBED N#CCNC(=O)CN[C@@H]1CCN(C(=O)C[C@@H]2CCCCO2)C1 1181957348 ZCROULCLGOLQPZ-OLZOCXBDSA-N 308.382 -0.224 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)CCc2ccncn2)C1 1182912137 JBQXONZGGMHBAB-CQSZACIVSA-N 315.377 -0.651 30 20 DBED Cc1cncc(CC(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)c1 1184602122 UFWHJDVETZCTAH-CQSZACIVSA-N 315.377 -0.237 30 20 DBED COCC#CCN(C)[C@H]1CCN(C(=O)[C@H]2COCCN2C)C1 1189704722 DQUFEQDZSKYNFI-LSDHHAIUSA-N 309.410 -0.501 30 20 DBED CN(CC(=O)NCC#N)[C@H]1CCN(C(=O)Cc2cncs2)C1 1190799474 BGNCRHGOOVHHPS-NSHDSACASA-N 321.406 -0.142 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(Cc2cnnn2CC)C[C@H]1O 1192529520 DOWJFEDXKPQXAB-UMVBOHGHSA-N 323.397 -0.714 30 20 DBED COCC#CCN(C)[C@@H]1CCN(C(=O)CCc2cn(C)nn2)C1 1194511261 LBYMRTFRTFPAJT-OAHLLOKOSA-N 319.409 -0.070 30 20 DBED CCN(CC)CC(=O)N1CCCN(CC(=O)NCC#N)CC1 1197491200 BIZZWVOSBGMNDT-UHFFFAOYSA-N 309.414 -0.498 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(CCOCC)C[C@H]2O)cn1 1197960496 GBHUZKMZSHXENO-HUUCEWRRSA-N 303.362 -0.126 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCC(NC[C@@H](O)COC)CC1 1200334706 SATSZJQPNMVXKS-UKRRQHHQSA-N 300.399 -0.099 30 20 DBED N#CCNC(=O)CNC1CCN(C(=O)c2cnnc(O)c2)CC1 1201157035 NDRYORJYIGQBDJ-UHFFFAOYSA-N 318.337 -0.984 30 20 DBED C=C(C)CNC[C@H]1CN(C(=O)CS(=O)(=O)NC)CCCO1 1202088502 VFAGLRLWQQTEKF-LBPRGKRZSA-N 319.427 -0.681 30 20 DBED Cc1cc(CC(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@H]2C)no1 1206648336 XBJAWKGSNPBNLX-ZWNOBZJWSA-N 319.365 -0.398 30 20 DBED N#CCSCC(=O)N1CCC[C@@H](NCCOCCO)C1 1207409023 BUOMNBKUNUDZBO-GFCCVEGCSA-N 301.412 -0.167 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@H]1CCCN(C(=O)CC(=O)NCC)C1 1207877508 JPZZJBOUXOAQTJ-OLZOCXBDSA-N 324.425 -0.216 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCCN(C(=O)c2ncccn2)C1 1210263436 CHWVRRYYEMFDOK-OLZOCXBDSA-N 315.377 -0.191 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1CN(Cc2nnnn2C)C[C@H]1OC 1213266781 JGMCLMLSYSXHIT-GHMZBOCLSA-N 308.386 -0.262 30 20 DBED CNC(=O)NC(=O)[C@@H](C)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C 1214587712 NUYWCNONXXYABU-NQBHXWOUSA-N 320.393 -0.320 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CCN(C)C)C[C@H]1C 1215458990 SLFNZMDZUIMJRS-MGPQQGTHSA-N 308.426 -0.488 30 20 DBED C#CCCN[C@@H]1CN(C(=O)CN2C(=O)CN(C)C2=O)C[C@H]1C 1216710842 ZLQKQCDKMFBEPV-VXGBXAGGSA-N 306.366 -0.660 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CN(CC(=O)NCC2CCC2)C[C@@H]1O 1219379072 MVBSSICQGAFKCS-RTXFEEFZSA-N 308.382 -0.776 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)[C@@H](C)OCCOC)C1 1220463119 BBPLVVGQFJMNGF-UTUOFQBUSA-N 306.790 -0.048 30 20 DBED CC#CCN1CC[C@@H]2CN(C(=O)[C@H](C)NC(=O)COC)[C@@H]2C1 1221570075 UDAVHNWITYKIOB-BFHYXJOUSA-N 307.394 -0.307 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)[C@H](C)NC(C)=O)CC1 1222299368 XIBODTIOVWWEIS-LBPRGKRZSA-N 322.409 -0.911 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)[C@@H]2[C@H]3COC[C@H]32)CC1 1224148879 PGGODWJURGVGMH-FOLVSLTJSA-N 319.405 -0.544 30 20 DBED C=CCN1CCS(=O)(=O)[C@@H](CCNC(=O)c2cncnc2)C1 1230449346 AKBODWRAJOYQBD-ZDUSSCGKSA-N 324.406 -0.119 30 20 DBED N#CCOc1cccc(CNC(=O)CN2C(=O)CNC2=O)c1 1251828372 NTFWPQCQZGJPOA-UHFFFAOYSA-N 302.290 -0.243 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 1257597007 YLINGHIOGCTPET-CABCVRRESA-N 317.389 -0.549 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CC[C@H](CN(C)C)C2)nn1 1261448690 BRDHEMJPWCBRMW-GFCCVEGCSA-N 320.397 -0.510 30 20 DBED C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CCN1 1262069783 KOIBMWRLNJZDKC-DYEKYZERSA-N 319.409 -0.558 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)[C@@H]2CCNC(=O)CC2)C1 1267746686 QGJBYPYGKVUKPZ-QWHCGFSZSA-N 322.409 -0.605 30 20 DBED C#CCN1CCC(C(=O)N(C)CCNS(C)(=O)=O)CC1 1318787188 AIEOWYUTMSHKGH-UHFFFAOYSA-N 301.412 -0.661 30 20 DBED N#CCCCCNC(=O)C(=O)NC[C@@H]1CC(=O)N(C2CC2)C1 1323193154 MHERZEOLXVFZOJ-NSHDSACASA-N 306.366 -0.076 30 20 DBED C[C@@H]1C[C@H](CNC(=O)C(=O)N2CC[C@](O)(CC#N)C2)CCO1 1326125102 BZZPIYWDFQOMCC-LALPHHSUSA-N 309.366 -0.205 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CC[C@](F)(CO)C2)nn1 1329223220 RPDZJXMWHLXTPM-CYBMUJFWSA-N 311.317 -0.987 30 20 DBED C=CCOCCn1nnnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1334171937 KKWKUFMXGGEDAB-GFCCVEGCSA-N 321.385 -0.084 30 20 DBED C#CCN(C(=O)C(=O)N1CCO[C@H](CC(=O)OC)C1)C(C)C 1335121337 ARQDPHFUTMCPFJ-GFCCVEGCSA-N 310.350 -0.353 30 20 DBED N#CCCCS(=O)(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)O 1335818687 RYPAJHXSHCTKJT-SECBINFHSA-N 324.380 -0.806 30 20 DBED C=CCn1c([C@H]2CNC(=O)C2)nnc1N1CCNC(=O)[C@H]1CC 1339609651 ONPIZPDZBGKDCJ-GHMZBOCLSA-N 318.381 -0.218 30 20 DBED C=CCn1c(CO)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1342359945 WZWBXBCLEHDAII-GFCCVEGCSA-N 321.381 -0.216 30 20 DBED C#CCN1CCN(c2nnc([C@H]3CC(=O)N(C)C3)n2CC)CC1 1343077741 YAGDIVZBBXVOMQ-ZDUSSCGKSA-N 316.409 -0.001 30 20 DBED C=CCOCCNC(=O)C(=O)N1C[C@@H]2CN(C(C)=O)C[C@@H]2C1 1353745245 WTXQJYMCUQTCPW-BETUJISGSA-N 309.366 -0.758 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N1CC[C@@H](C2OCCO2)C1 1356346799 ROZQVXBPVVQETH-CYBMUJFWSA-N 324.377 -0.294 30 20 DBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nn1ccnn1 1363297891 KBPKHSALKSORLQ-VIFPVBQESA-N 320.334 -0.413 30 20 DBED C[C@H]1CCN(C(=O)NCCn2cnc(C#N)n2)CC[S@]1=O 1365586928 PSVPUMWOTGPJBL-CHNSCGDPSA-N 310.383 -0.298 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNCc1ncnn1C(C)(C)C 1367579958 LMTXCHNDAXMYNF-WDEREUQCSA-N 308.386 -0.241 30 20 DBED N#CCCN1CCN(C(=O)NCc2cc(C(N)=O)no2)CC1 1369008986 NTKRLRSQSMYYGG-UHFFFAOYSA-N 306.326 -0.486 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)CCc1cnccn1 1376679793 WZLQBKFKRFFFKV-PWSUYJOCSA-N 305.338 -0.838 30 20 DBED C[C@@H](CN(C)C(=O)CCCS(N)(=O)=O)NC(=O)[C@@H](C)C#N 1383808310 CWGOKFWZVQKSHG-UWVGGRQHSA-N 318.399 -0.822 30 20 DBED CNC(=O)NCCC(=O)NC[C@@H](NC(=O)[C@@H](C)C#N)C1CC1 1385709787 MDKWPSOWBCJLDF-GXSJLCMTSA-N 309.370 -0.524 30 20 DBED C[C@H](C#N)C(=O)NCCN(C)C(=O)[C@H](NC(N)=O)C(C)(C)C 1408673738 GAVRLRSSHIVWFT-ZJUUUORDSA-N 311.386 -0.196 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1c[nH]c2nccc-2c1 1410129721 NIVDSBKTHBSQIA-JOYOIKCWSA-N 315.333 -0.119 30 20 DBED CN(CC1(N(C)C)CCC1)C(=O)Cn1cc(C#N)c(O)nc1=O 1412041707 AFIVVVLJFYOEAO-UHFFFAOYSA-N 319.365 -0.237 30 20 DBED C[C@H]1CN(C(=O)CN2CC(CNC(=O)[C@@H](C)C#N)C2)CCO1 1419011924 XQDGAVFNSYNIAX-RYUDHWBXSA-N 308.382 -0.559 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1C[C@H]2CCN(C)[C@H]2C1 1424102407 KELMPJUHURTHIX-OLZOCXBDSA-N 316.427 -0.271 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(O)(CNCc2ncnn2C)CC1 1424548505 NCHDTTPUJYVJHC-NSHDSACASA-N 306.370 -0.582 30 20 DBED C[C@H](C#N)C(=O)NC1CN(C(=O)c2ccc(C(N)=O)cc2)C1 1432344973 XWTALTVRILBQNV-SECBINFHSA-N 300.318 -0.114 30 20 DBED CC(C)CNC(=O)NC(=O)CN1CC(CNC(=O)[C@H](C)C#N)C1 1443567824 CPFCIPMRAHFXIR-LLVKDONJSA-N 323.397 -0.324 30 20 DBED Cc1c(C(=O)NC[C@@]2(O)CCN(C(=O)[C@H](C)C#N)C2)cnn1C 1454071478 YJAYHJQQKQIUPO-BMIGLBTASA-N 319.365 -0.419 30 20 DBED CCN(C[C@@H](C)C#N)C(=O)Cn1nnc(CCC(=O)OC)n1 1459169114 ONAOESZCRMORGD-JTQLQIEISA-N 308.342 -0.213 30 20 DBED C=C(Cl)CNC[C@@H](O)CNC(=O)c1ccn2nnnc2c1 1482755015 ANWIIPKHFLLGTB-SNVBAGLBSA-N 310.745 -0.443 30 20 DBED C[C@@H](C#N)C(=O)NC1CN(C(=O)CNC(=O)c2ccccc2)C1 1498383305 AFFYLTJEEVRSGB-NSHDSACASA-N 314.345 -0.097 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(Cc2nc(C3CC3)nn2C)C1 1500806601 VWGAPUFIROOIFS-SNVBAGLBSA-N 318.381 -0.485 30 20 DBED C=C(C)Cn1c([C@@H](O)COC)nnc1N1CCN(C)C(=O)C1 1523759789 GEEMGNAOLQFMCL-NSHDSACASA-N 309.370 -0.188 30 20 DBED CCCN(CCNC(=O)CN1CCOCC1=O)C(=O)[C@@H](C)C#N 1529601268 WSSYMWYMSNENKG-LBPRGKRZSA-N 324.381 -0.640 30 20 DBED C[C@@]1(C(=O)N2CCN(c3ncccc3C#N)CC2)C[C@H](O)CN1 1573597492 RMPIDBVCDHISHK-BBRMVZONSA-N 315.377 -0.285 30 20 DBED CC(C)C#CC(=O)N1CCN(CC(=O)NCc2cnn[nH]2)CC1 1575318759 PYNBTKPLSCKNQI-UHFFFAOYSA-N 318.381 -0.776 30 20 DBED C[C@@H]1CCN(c2cnc(C#N)c(-c3nn[nH]n3)n2)CC[S@@]1=O 1576214296 OSHBNOWRNPCQPJ-PJLCYMMNSA-N 318.366 -0.124 30 20 DBED N#C[C@H]1CN(C(=O)C2=NO[C@]3(CCNC3)C2)CCN1C1CC1 1580041750 GHRVVHJWCMSREO-SWLSCSKDSA-N 303.366 -0.306 30 20 DBED C#CCOCCNS(=O)(=O)c1ccc(-c2nn[nH]n2)cn1 1588363457 HEGPICWIQOIEJZ-UHFFFAOYSA-N 308.323 -0.810 30 20 DBED C#CC[C@H](NS(=O)(=O)c1cccc(-n2cnnn2)c1)C(=O)O 1588428081 ABURYAZKRBOJPQ-NSHDSACASA-N 321.318 -0.583 30 20 DBED C#CCN(C)CCCNC(=O)N1CC[C@@]2(CC(C(=O)O)=NO2)C1 1588461073 FFXYZATYUNIZKC-OAHLLOKOSA-N 322.365 -0.044 30 20 DBED O=C(O)CCCONC(=O)CCN/C(O)=C1\N=CC=CC1=O 1601994721 FRCXLKMVDULSSQ-OUKQBFOZSA-N 311.294 -0.185 30 20 DBED CC#CC[C@@H](CO)NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 1602889910 OUIJYLLVXXTQEL-NSHDSACASA-N 321.362 -0.081 30 20 DBED C[C@@H](C#N)C(=O)NCCCN=c1cc[nH]cc1-c1nn[nH]n1 1602984062 RGHJMULOIIHJTP-VIFPVBQESA-N 300.326 -0.239 30 20 DBED C[C@H](CC(=O)O)C(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1 1604090568 RXDQUNRWSOPFBL-RKDXNWHRSA-N 316.335 -0.937 30 20 DBED CO[C@H]1COCC[C@@H]1CNc1cnc(C#N)c(-c2nn[nH]n2)n1 1605036101 DUZZYQOBVHBKSO-SCZZXKLOSA-N 316.325 -0.008 30 20 DBED N#CCC(=O)N1CCN(Cc2ccncc2-c2nn[nH]n2)CC1 1606345326 HRIVXTBZLJJHQB-UHFFFAOYSA-N 312.337 -0.180 30 20 DBED N#CCSCC(=O)NC1(CNC(=O)[C@@H]2C[C@@H]2C(=O)O)CC1 1608187409 XRJDSPRPOAPWBJ-BDAKNGLRSA-N 311.363 -0.271 30 20 DBED CC#CCNC[C@H]1CCCN1C(=O)CN1CCCS1(=O)=O 1666425385 ZCMLSSJXMGOIMM-CYBMUJFWSA-N 313.423 -0.374 30 20 DBED C=C(C)CNC[C@H]1CCCN1C(=O)CNS(=O)(=O)N(C)C 1666462523 AIWOGDHDFYUENA-GFCCVEGCSA-N 318.443 -0.461 30 20 DBED N#CCNC(=O)CN[C@H]1CCN(C(=O)CC[C@@H]2CCCO2)C1 1690659868 UYQNGPIVYHQEFD-STQMWFEESA-N 308.382 -0.224 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H](CNC(=O)c1cn[nH]c1)C1CC1 1752451982 QSFLGIFULLIPID-GWCFXTLKSA-N 303.366 -0.354 30 20 DBED COCC#CCN[C@@H](CNC(=O)[C@H]1CCNC(=O)C1)C1CC1 1752454622 NYRMXPYIYMJPMB-KBPBESRZSA-N 307.394 -0.353 30 20 DBED C#CCNC(=O)CN[C@H](C)CNC(=O)c1cc2n(n1)CCCC2 1752879003 BEIFURANNOFXLK-GFCCVEGCSA-N 317.393 -0.323 30 20 DBED C=CCN1CC[C@H](NCCN(C)C(=O)[C@@]2(F)CCOC2)C1=O 1753228555 DLYDRBPDMXDHIJ-SWLSCSKDSA-N 313.373 -0.050 30 20 DBED C=CCN(C)C[C@H]1CCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)C1 1753356536 RLXUVZISMLHFTH-LLVKDONJSA-N 322.365 -0.627 30 20 DBED N#CCNC(=O)CN1CC2(CCN(C(=O)C(F)F)CC2)C1 1753671259 TWHVMTPEXCCBMB-UHFFFAOYSA-N 300.309 -0.184 30 20 DBED C#CCNC[C@H](O)CNC(=O)c1cc(Br)n[nH]1 1753911766 ALRGUBJKABJGSN-ZETCQYMHSA-N 301.144 -0.514 30 20 DBED C#CCNC(=O)CN(C)C[C@@H](C)NC(=O)c1snnc1CC 1754316622 XACBKKQJFVOVQD-SNVBAGLBSA-N 323.422 -0.100 30 20 DBED C=CCNC(=O)CN1CC[C@@H]1CNC(=O)CCn1cccn1 1754473209 ICDZIPPMGYGLJQ-CYBMUJFWSA-N 305.382 -0.234 30 20 DBED C#CCN1C[C@H]2C[C@H](NC(=O)CN(C)S(C)(=O)=O)C[C@H]1C2 1754786182 VHJXWYCQYHOZFJ-RWMBFGLXSA-N 313.423 -0.520 30 20 DBED CC[C@@H](F)C(=O)N[C@@]1(CO)CCCN(CC(=O)NCC#N)C1 1754858334 YQQMRXZVSKTXCU-RISCZKNCSA-N 314.361 -0.683 30 20 DBED C#CCNC(=O)CNC1(CNC(=O)Cc2ccc[nH]2)CCC1 1754992735 PCNRKMGICZJPFJ-UHFFFAOYSA-N 302.378 -0.065 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCO[C@H](CNCc2ncnn2C)C1 1754999054 AMDAYCBUOOVLNY-DOMZBBRYSA-N 323.397 -0.541 30 20 DBED C=CCCCC(=O)N1CCOC2(CN(CC(=O)NCC#N)C2)C1 1755050043 BIYWYJLIPVJIBT-UHFFFAOYSA-N 320.393 -0.104 30 20 DBED C#CCNC(=O)CNCC1CC(NC(=O)c2cccnn2)C1 1755219258 KFBOBKDNZMWQTJ-UHFFFAOYSA-N 301.350 -0.676 30 20 DBED C=CCn1cc(C(=O)N[C@@H](C)[C@@H](C)NCC(=O)NC2CC2)nn1 1755255037 CDRJZMTXCIFHNG-MNOVXSKESA-N 320.397 -0.161 30 20 DBED COCC#CCN[C@H](CO)CNC(=O)Cc1ccc(C)nc1 1755647373 YWYUPLVVPAWUQV-HNNXBMFYSA-N 305.378 -0.351 30 20 DBED C#CCNC(=O)CN[C@@H]1C[C@H](C)N(C(=O)c2c[nH]c(C#N)c2)C1 1755674914 NLPNODPINTYMKT-SMDDNHRTSA-N 313.361 -0.172 30 20 DBED C[C@H]1[C@H](NC(=O)Cn2ccnc2)CCCN1CC(=O)NCC#N 1755722730 LBITWDZSKCABET-QWHCGFSZSA-N 318.381 -0.508 30 20 DBED C#CCCN(C)C[C@@H](O)CN(C)C(=O)c1nc2ncccn2n1 1755806253 ATRRRWAHJIKYNU-GFCCVEGCSA-N 316.365 -0.488 30 20 DBED CC(C)(C)C#CC(=O)NC[C@@H](CO)NC(=O)[C@H]1CCCNC1=O 1756519579 LHSFIMAYJQPSOC-RYUDHWBXSA-N 323.393 -0.845 30 20 DBED COc1cccc(C(=O)N[C@H](CO)CNC(=O)C#CC2CC2)n1 1756520322 ZCCCKRMZMIZCFV-LBPRGKRZSA-N 317.345 -0.290 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(C(=O)c2cnnc(O)c2)C[C@@H]1O 1757171636 ZQMSJEFKLCACEZ-NEPJUHHUSA-N 318.333 -0.857 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC[C@@H]1CN(C)C(=O)Cc1nc[nH]n1 1757307021 MFWSRAWKDPCSLB-NWDGAFQWSA-N 321.381 -0.002 30 20 DBED CO[C@H](CS(=O)(=O)N[C@H](CCC#N)C(=O)O)[C@@H]1CCOC1 1777151765 KTHSZAYVCCAQAR-GMTAPVOTSA-N 320.367 -0.286 30 20 DBED C=C[C@H](O)C(C)(C)C(=O)N1CCCC12CN(C(=O)C(O)O)C2 1844234785 QZTJWGNMXDDUTL-JTQLQIEISA-N 312.366 -0.926 30 20 DBED C[C@@H]1CN(c2nccnc2C#N)CCN1Cc1n[nH]c(=O)[nH]1 91591333 QKBHUGZTLADNEZ-SECBINFHSA-N 300.326 -0.530 30 20 DBED N#Cc1cc(F)ccc1NC(=O)C(=O)N1CC[C@H](C(N)=O)C1 175979553 LEMJCNPOEHZFCK-QMMMGPOBSA-N 304.281 -0.030 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN[C@@H](C)[C@H]2C)C1=O 262732244 BTHNHSUVGGAJOA-VHSXEESVSA-N 308.338 -0.828 30 20 DBED C=CCNC(=O)[C@H](C)Nc1ccn(CC(=O)N2CCOCC2)n1 267921965 RFYILOZEKRIEMM-LBPRGKRZSA-N 321.381 -0.156 30 20 DBED C[C@H](O)C(=O)N1CCN(C(=O)COc2ccc(C#N)cc2)CC1 270832162 LORPXYOCZXMIPA-LBPRGKRZSA-N 317.345 -0.011 30 20 DBED COC[C@@H](O)CNc1ccc(C#N)c(NC[C@@H](O)COC)n1 278431604 PQWOEDLNGHRYOC-NWDGAFQWSA-N 310.354 -0.208 30 20 DBED C=C[C@@](C)(CCOC)C(=O)NCCC(=O)NS(C)(=O)=O 282249213 OIFSHXCDCKJIRW-LBPRGKRZSA-N 306.384 -0.203 30 20 DBED CN(CCC(N)=O)c1ccc(C#N)c(N(C)CCC(N)=O)n1 286374380 LRGNEPQTFQVOOF-UHFFFAOYSA-N 304.354 -0.424 30 20 DBED CN1CC[C@@H]2CCN(C(=O)NCCn3cnc(C#N)n3)[C@@H]2C1 287934218 SDXWCZSOKBYHSF-VXGBXAGGSA-N 303.370 -0.115 30 20 DBED C[C@@H](N/C(O)=N/CCN1C(=O)CN=C1O)C1=CCN(C)CC1 329715926 VRYCWQCMPKGJTA-SNVBAGLBSA-N 309.370 -0.103 30 20 DBED CN1CCN(C(=O)CC/N=C(/O)N2CCn3ccnc3C2)CC1 329807207 BHSWFNDXQQGIBR-UHFFFAOYSA-N 320.397 -0.223 30 20 DBED CN1C(=O)CO[C@@H](/C(O)=N/[C@@H]2[C@H]3COC[C@H]32)[C@@H]1c1cnn(C)c1 330101020 HXIZFUVQJQVKRS-QLPDKGEUSA-N 320.349 -0.080 30 20 DBED C/N=C(/O)NCC(=O)N(C)C1CCN(CCn2cccn2)CC1 330542625 SPTZEMBLCRTCTJ-UHFFFAOYSA-N 322.413 -0.061 30 20 DBED C=CCN(CCCN1C(=O)CNC1=O)[C@H]1CCS(=O)(=O)C1 336841222 ZEGGGQATXZGCSY-NSHDSACASA-N 315.395 -0.397 30 20 DBED COCCN(CCC#N)S(=O)(=O)NC[C@H]1CCCC(=O)N1 337147634 GOLNKIZIYWYXEH-LLVKDONJSA-N 318.399 -0.648 30 20 DBED C=CCN1CC[C@H](N(CCOC)[C@@H]2CCS(=O)(=O)C2)C1=O 337191257 TUUQYFPGGAOQPJ-OLZOCXBDSA-N 316.423 -0.091 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C)c2nc(C)no2)C1=O 338116115 SMUMQOKKBTYHNI-SSDOTTSWSA-N 321.293 -0.468 30 20 DBED COCCNC(=O)CNC(=O)C(=O)Nc1ccc(F)c(C#N)c1 343169687 PZCPIWVODCTBAV-UHFFFAOYSA-N 322.296 -0.485 30 20 DBED C[C@H](CN1CCOCC1)NC(=O)CNc1ccc(C#N)cn1 347704658 RRLNQCMJTQINFJ-GFCCVEGCSA-N 303.366 0.202 30 20 DBED CN(C1(C#N)CCC1)S(=O)(=O)CCCCS(N)(=O)=O 349610253 QRVPQMBCNPYXMS-UHFFFAOYSA-N 309.413 -0.237 30 20 DBED CNc1ccc(C#N)cc1NC(=O)CNC(=O)CNC(C)=O 351674577 WJFIEMLOTNAUDX-UHFFFAOYSA-N 303.322 -0.209 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N1C[C@@H](CO)O[C@H](C)C1 410908654 IVWNVZBHXCWSFQ-NEPJUHHUSA-N 300.355 -0.744 30 20 DBED COC[C@@](C)(CC(=O)OC)NS(=O)(=O)N(C)CCC#N 487100945 OVJDYTJKTDMQOF-LLVKDONJSA-N 307.372 -0.366 30 20 DBED C=CCN(CCOC)C(=O)Cc1cc(S(N)(=O)=O)cn1C 487704118 VGCZOXNTFCJLAH-UHFFFAOYSA-N 315.395 -0.124 30 20 DBED C#CCN1CCN(C(=O)CN2CCC(CNC(C)=O)CC2)CC1 490778343 DUSQHWAXISNYDZ-UHFFFAOYSA-N 320.437 -0.388 30 20 DBED N#Cc1cc(F)c(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)c(F)c1 564737120 DUTVNYVGCVQDFB-NXEZZACHSA-N 316.285 -0.276 30 20 DBED Cc1cc(C#N)ccc1S(=O)(=O)NC[C@@H](O)Cn1ccnn1 572736493 XUGQPGDQVKWXPV-GFCCVEGCSA-N 321.362 -0.202 30 20 DBED CON1CCC(N(C)c2c(C#N)c(=O)n(C)c(=O)n2C)CC1 579447670 FZRJHWMIDYYHCS-UHFFFAOYSA-N 307.354 -0.582 30 20 DBED CC(C)(CC#N)CS(=O)(=O)NC[C@@H](O)Cn1ccnn1 584302854 PKRUHIFHFMGFSU-SNVBAGLBSA-N 301.372 -0.502 30 20 DBED CC(C)[C@@H]1CNCCN1C(=O)C(=O)Nc1ccn(CCC#N)n1 599888489 GEQAPJCKFJXEHH-LBPRGKRZSA-N 318.381 0.192 30 20 DBED CN1CCO[C@H](CS(=O)(=O)N2CCSC[C@H]2C#N)C1 601387561 YRBFYNRUXGAGAV-MNOVXSKESA-N 305.425 -0.412 30 20 DBED C[C@@H](C(=O)N(C)CCC#N)N1CCN(Cc2nc[nH]n2)CC1 602868898 YJXIGIISTVKBDV-LBPRGKRZSA-N 305.386 -0.317 30 20 DBED CCOC(=O)[C@@H](CO)NS(=O)(=O)c1cccc(F)c1C#N 758505419 WAAGEIYNCPEDHO-SNVBAGLBSA-N 316.310 -0.100 30 20 DBED C#C[C@H](NC(=O)N1CCN(C(=O)COC)CC1)[C@H]1CCCO1 773553169 BHEXLINDDOQBAA-QWHCGFSZSA-N 309.366 -0.333 30 20 DBED C#CCNC(=O)CN1CCN(c2c(C#N)c(C)nn2C)CC1 788275190 ITHZIGIJBIKXNI-UHFFFAOYSA-N 300.366 -0.528 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@H](C)Cn1ccnc1)[C@H]1CCCO1 789753255 LHJIURPIECCUES-FRRDWIJNSA-N 304.350 -0.315 30 20 DBED C=CCN1CC[C@H](N(C)CN2C(=O)N[C@](C)(COC)C2=O)C1=O 799143135 GEXCHLCOFZZVFO-XHDPSFHLSA-N 324.381 -0.381 30 20 DBED CCCOC(=O)CCNS(=O)(=O)N1CCO[C@H](C#N)C1 800070790 DQFIWOCHNASCGS-SNVBAGLBSA-N 305.356 -0.612 30 20 DBED C#C[C@H](NC(=O)C(=O)N(C)CCc1cnccn1)[C@@H]1CCCO1 809312091 XSKYARVCBDDNMW-KBPBESRZSA-N 316.361 -0.226 30 20 DBED C#CCOCCNC(=O)CNS(=O)(=O)c1c(C)noc1C 811027763 BGEMIGDMZATXNK-UHFFFAOYSA-N 315.351 -0.664 30 20 DBED C#CCN1CCC[C@H]1C(=O)Nc1ncn(CC(=O)OCC)n1 819740388 VAULEHHQJLJVAK-NSHDSACASA-N 305.338 -0.123 30 20 DBED C=CCCC(=O)[C@@H]1CCCN1C(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 820449373 HVJFANQXNLSZMN-ZGKBOVNRSA-N 309.362 -0.075 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](OC)C2CC2)CC1 831574947 SVYMAOPJKIEOHZ-GFCCVEGCSA-N 315.395 -0.977 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NS(=O)(=O)CCCC(=O)OC 835164169 VIHMHNPTQQBDQG-ZJUUUORDSA-N 305.352 -0.023 30 20 DBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1N[C@H]2CC[C@H]1C2 862909296 FFJLJLYDWPKVED-UWVGGRQHSA-N 320.374 -0.007 30 20 DBED C#CCOc1ccccc1NC(=O)C(=O)N[C@@H]1COCC[C@H]1O 874099288 OENGYHINBMBGNP-CHWSQXEVSA-N 318.329 -0.097 30 20 DBED C#CC1(O)CN(C(=O)[C@@H](C)N2C(=O)NC3(CCCC3)C2=O)C1 890521862 WSJYLCSVZKIRAG-SNVBAGLBSA-N 305.334 -0.554 30 20 DBED CCS(=O)(=O)N(C)C1CCN(C(=O)NCC#CCO)CC1 923779373 HOOONAGCYYDDEW-UHFFFAOYSA-N 317.411 -0.562 30 20 DBED C#CC[C@@H]1NC(=O)N(CCCn2nc3n(c2=O)CCCC3)C1=O 927376440 CGCQYRGDEOIKAH-NSHDSACASA-N 317.349 -0.285 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)CC(N)=O)C2)cn1 941879883 UJTCTHSTMDGYCM-GFCCVEGCSA-N 300.318 -0.731 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CN2CCC(=O)NC2=O)[C@H](C)C1 944034007 RWUSGQUYZOIVNQ-CHWSQXEVSA-N 320.393 -0.222 30 20 DBED CN(C(=O)c1cnc(O)n(C)c1=O)[C@H]1CCCN(CC#N)CC1 948673875 KVSGEVRHNJYIOG-NSHDSACASA-N 319.365 -0.064 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCN([C@@H]2CCCNC2=O)CC1 948825819 SPPBOXITRYVWJC-CABCVRRESA-N 318.421 -0.493 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCN([C@H]2CCNC2=O)CC1 948825957 ZYXYJWPYZLJQGV-KBPBESRZSA-N 304.394 -0.883 30 20 DBED CCN(C(=O)c1ccc(C#N)[nH]1)C1CN(Cc2nnn(C)n2)C1 949912869 KUPQSXUODCENCE-UHFFFAOYSA-N 314.353 -0.244 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@@H]2CNC(=O)c2cnon2)[nH]1 951752647 GTJCCDUUPQSJEL-SECBINFHSA-N 300.278 -0.086 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1ncn(C)n1 952172976 KFVVUAYIAPPFTO-TUAOUCFPSA-N 319.365 -0.263 30 20 DBED C[C@@H](C#N)C(=O)N1CC(N(C)C(=O)[C@@H]2CCC(=O)N(C)C2)C1 954503522 AKNHBKWWAJBEAN-WDEREUQCSA-N 306.366 -0.316 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@@H](CNC(=O)c2nnn(C)c2C)C1 957952911 IOFLAIALUZDNPG-WDEREUQCSA-N 313.789 -0.101 30 20 DBED C=C(Cl)CN1C[C@H](CNC(=O)c2cnnc(O)c2)[C@@H](O)C1 958164546 MFBUUCZCFJFEQF-QWRGUYRKSA-N 312.757 -0.043 30 20 DBED C#CCCN1C[C@H](O)[C@H](CNC(=O)c2cc3ncccn3n2)C1 958493054 CSLCHYXSGLLHJI-OCCSQVGLSA-N 313.361 -0.225 30 20 DBED C=CCN1C[C@H](CNC(=O)c2nc3ncccn3n2)[C@@H](O)C1 958507241 NHIOOQMUUKYGKP-QWRGUYRKSA-N 302.338 -0.667 30 20 DBED C#CCN1C[C@H]2C(NC(=O)c3coc(S(N)(=O)=O)c3)[C@@H]2C1 960623357 PDQPLOAPMUQRCJ-NXEZZACHSA-N 309.347 -0.780 30 20 DBED C#CCCN1C[C@H]2[C@H](NC(=O)c3ccoc3CC(N)=O)[C@H]2C1 961597220 GIFKDVJVZWAKGJ-JYAVWHMHSA-N 301.346 -0.009 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CN(C(=O)c3cocn3)CCO2)C1 965326747 JBULLUMYBUNMKT-JTQLQIEISA-N 304.306 -0.112 30 20 DBED CCN(C(=O)C1CS(=O)(=O)C1)C1CN(C(=O)[C@@H](C)C#N)C1 967988990 CJVFZGQYLUEFNX-VIFPVBQESA-N 313.379 -0.750 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CN(CC(N)=O)CC[C@H]2C)nn1 968404439 FBUMOMQEXGLFSB-MNOVXSKESA-N 306.370 -0.610 30 20 DBED C#CCCN1C[C@H]2CC[C@H]1CN2C(=O)Cn1c(O)nnc1O 972057921 HBKGGLWNUPHWEQ-WDEREUQCSA-N 305.338 -0.612 30 20 DBED CC#CCN1C[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C(C)(C)C1 974674127 IOBQLESPRBIFSB-WDEREUQCSA-N 306.366 -0.566 30 20 DBED C=CCCN1C[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C(C)(C)C1 974681232 SQEVKXOEFZPFEY-QWRGUYRKSA-N 308.382 -0.013 30 20 DBED C#CCN1CCCC2(C1)CN(C(=O)[C@H]1CCS(=O)(=O)N1)C2 982153492 ACBZXGWMWHBGNS-GFCCVEGCSA-N 311.407 -0.764 30 20 DBED NC(=O)C(=O)N1C[C@@H]2[C@@H]3CC[C@@H](CN3C(=O)C#CC3CC3)[C@H]2C1 984278720 NYFVRFDRXRUKRK-CRWXNKLISA-N 315.373 -0.420 30 20 DBED C[C@H]1[C@@H](NCC#N)CCN1C(=O)c1coc(S(N)(=O)=O)c1 986435980 DQYYRJPMPAXXNI-WPRPVWTQSA-N 312.351 -0.357 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC(NC(=O)C2CCOCC2)C1 990049622 PZGIOZRNJGEIHV-HNNXBMFYSA-N 319.405 -0.162 30 20 DBED C=CCn1cc(C(=O)N2CC(NC(=O)C3=COCCO3)C2)nn1 990144144 FRFYCZYQYUHTDL-UHFFFAOYSA-N 319.321 -0.707 30 20 DBED CSCC(=O)N1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@H](O)C1 991385075 LRFUGXVINVFIPY-ZYHUDNBSSA-N 322.390 -0.059 30 20 DBED C#CCN[C@@H]1CN(C(=O)Cn2ncnn2)CC[C@H]1C(F)(F)F 998262645 QLXXZFNAEJBYAM-NXEZZACHSA-N 316.287 -0.325 30 20 DBED C=C1CC(C)(C(=O)NC2CN(C(=O)CN3CC(=O)NC3=O)C2)C1 999277231 GGWRBAJJNSEJMX-UHFFFAOYSA-N 320.349 -0.779 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](NCc2nnn(C)n2)C1 1000232140 NJVVNZDKKAXTAK-XQQFMLRXSA-N 320.397 -0.118 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(CNC(=O)[C@@H]2CCNC2=O)C1 1003563192 BXWWDGOPRVHLON-UPJWGTAASA-N 321.377 -0.712 30 20 DBED C#CCN1CCC[C@@H](NC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 1008018187 YSNMPGYFMGWWTA-YPMHNXCESA-N 301.350 -0.421 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C(=O)[C@H](C)CN2CCOCC2)CC1 1011163762 BXRNQUUYARUKMQ-ZIAGYGMSSA-N 322.409 -0.215 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2C[C@H](C)N(C(=O)CC(N)=O)C2)cn1 1012407892 JZEJXVRLSNAUFB-GWCFXTLKSA-N 314.345 -0.343 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C(NC(=O)c3nc[nH]n3)[C@H]2C1 1013585361 HBKLZMDLMMPEEI-RCWTZXSCSA-N 317.349 -0.418 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(Cc2nnn(C)n2)C1 1015721807 OVCJGMFDQWIMAI-TUAOUCFPSA-N 306.370 -0.508 30 20 DBED CC#CCN1CCC2(CC1)C[C@H]2NC(=O)Cn1cnnc1O 1016585568 BUOOFEIIZUGNPO-GFCCVEGCSA-N 303.366 -0.022 30 20 DBED N#CCN1CCC2(CC1)C[C@@H]2NC(=O)CN1CC(=O)NC1=O 1016881757 HVXMKZONEKZDDN-JTQLQIEISA-N 305.338 -0.968 30 20 DBED C[C@@H]1CC[C@H](NC(=O)C(N)=O)CN1C(=O)c1c[nH]c(C#N)c1 1018373059 RSHINGPUVUZTOQ-SCZZXKLOSA-N 303.322 -0.519 30 20 DBED C[C@H](C#N)C(=O)N1CCC2(CN(C(=O)[C@H]3CCC(=O)NC3)C2)C1 1019173869 XIBYYAMAQYVRQD-NEPJUHHUSA-N 318.377 -0.267 30 20 DBED Cn1cnn(CC(=O)N2CCC[C@H]3CN(CC#N)CC[C@H]32)c1=O 1021618308 DJTPMRBUYZXFKG-QWHCGFSZSA-N 318.381 -0.582 30 20 DBED O=C(N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O)c1cscn1 1023189561 KNSIVTZIYDKOTF-ZYHUDNBSSA-N 305.359 -0.142 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)c3ccnnc3C)C2)C1=O 1030615879 ATCKUTBSCGDHTG-CQSZACIVSA-N 315.377 -0.014 30 20 DBED C#CCCN1CC(CNC(=O)[C@H]2CCc3nnc(O)n3C2)C1 1031779207 NCDXKFUOEZKEQY-LBPRGKRZSA-N 303.366 -0.383 30 20 DBED C=CCCN1CC[C@H](N(C)C(=O)CN2CC(=O)N(C)C2=O)C1 1033578556 XRVKCMKIGDDXQR-LBPRGKRZSA-N 308.382 -0.011 30 20 DBED C=CCCn1cc(C(=O)N(CC)[C@@H]2CCN(CC(N)=O)C2)nn1 1033980677 XHQLPUMTWMIXQP-GFCCVEGCSA-N 320.397 -0.124 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H]2CN([C@H]3CCNC3=O)CCO2)c1 1035327041 SABBZMQUCRUGMP-AAEUAGOBSA-N 317.349 -0.795 30 20 DBED N#CCN1CCO[C@@H](CNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1035454981 QUZINZCKAJXVJJ-XDQVBPFNSA-N 309.366 -0.622 30 20 DBED CC#CCN1CCO[C@@H](CNC(=O)c2cccn(C)c2=O)C1 1035585092 DWJVWFWVMZPKQV-ZDUSSCGKSA-N 303.362 -0.161 30 20 DBED C=CCCN1C[C@H]2C[C@H]1[C@H]2NC(=O)Cn1nc(C)n(C)c1=O 1037695713 IQQCXNLSFXCQRC-DYEKYZERSA-N 305.382 -0.345 30 20 DBED N#Cc1ccccc1CN1CC[C@@H]1CNC(=O)[C@@H]1CNC(=O)N1 1038655248 VYNNTXIILSMHAV-KGLIPLIRSA-N 313.361 -0.070 30 20 DBED C#CCOCCC(=O)NC[C@@]1(O)CCN(C(=O)c2ncc[nH]2)C1 1039719562 WWPPZOALNNWJQR-HNNXBMFYSA-N 320.349 -0.857 30 20 DBED Cc1nc(O)[nH]c1C(=O)NC[C@@]1(O)CCN(C(=O)[C@@H](C)C#N)C1 1040131238 YOJVDCVWQZYMDW-RTHLEPHNSA-N 321.337 -0.723 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@](O)(CNC(=O)[C@@H]2CCNC2=O)C1 1040482996 WSHMNDZIPORLAE-BZNIZROVSA-N 323.393 -0.586 30 20 DBED CC#CCN1CC[C@@H]2CCN(C(=O)CN3CCOCC3=O)C[C@@H]21 1042098989 WAYJDEOAHJKYAV-CABCVRRESA-N 319.405 -0.209 30 20 DBED C[C@@H](C(=O)NCC1(O)CN(C(=O)[C@H](C)C#N)C1)n1cccc1 1042585963 XSKPIIFWSFBGQC-NEPJUHHUSA-N 304.350 -0.102 30 20 DBED C=C1CC(C)(C(=O)N2CC(O)(CNC(=O)[C@H]3COC(=O)N3)C2)C1 1042863135 PEGGATONIVHWEZ-SNVBAGLBSA-N 323.349 -0.859 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)[C@H](C)Cc2cnc[nH]2)C1 1043226239 SLGDHPPNCYHNDW-GHMZBOCLSA-N 319.365 -0.563 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@H](C)C#N)C1 1043254592 NIOAKABXLCCLRV-UPJWGTAASA-N 321.377 -0.183 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)C2(C)CCOCC2)C1 1043890155 ANHLUXILRGBVFN-LLVKDONJSA-N 309.366 -0.348 30 20 DBED CC(C)n1cnc(C(=O)NCC2(O)CN(C(=O)[C@@H](C)C#N)C2)c1 1043969911 GXWYYQFESOUAEV-NSHDSACASA-N 319.365 -0.073 30 20 DBED CC#CCN1CC(N(C)C(=O)Cn2ncn3nccc3c2=O)C1 1043998912 XZPMOWGNUIPEPZ-UHFFFAOYSA-N 314.349 -0.943 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)[C@H]2CCCCN2C)C1 1045565452 XPVYKEYYMMRVBN-NWDGAFQWSA-N 308.382 -0.680 30 20 DBED CC(C)(C(N)=O)C(=O)N1CCN([C@@H]2CCN(CC#N)C2)CC1 1046036778 FWIAYTZPJWWNMO-GFCCVEGCSA-N 307.398 -0.760 30 20 DBED C=CCCN1CC[C@](C)(NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 1046667345 UQVVTIFMIHWYGC-INIZCTEOSA-N 320.393 -0.146 30 20 DBED C=CCn1cc(C(=O)N[C@@]2(C)CCN([C@@H]3CCNC3=O)C2)nn1 1046681640 QXGOXIOYKRLTQK-DOMZBBRYSA-N 318.381 -0.453 30 20 DBED C#CCOCCC(=O)N(C)[C@H]1CN(C(=O)C(C)(F)F)C[C@@H]1O 1048844737 RKRKNXZFIBVZIE-QWRGUYRKSA-N 318.320 -0.288 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)[C@@H]1CC(=O)N(C(C)C)C1 1050944939 GXAUWRFKZZAEFB-KGLIPLIRSA-N 307.394 -0.307 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)[C@H]1CCn2cncc2C1 1050980647 YSNOZJCOTPUKPH-DZGCQCFKSA-N 302.378 -0.104 30 20 DBED N#Cc1ccc(N2CC[C@@H](NC(=O)c3nc[nH]n3)[C@@H](O)C2)nc1 1051711298 IDOORFGPZZDGCM-MNOVXSKESA-N 313.321 -0.559 30 20 DBED C=CCN1CCN([C@H]2CCN(C(=O)[C@@]3(C)CCNC3=O)C2)CC1 1052079504 BLBFLZKYWRFRAW-YOEHRIQHSA-N 320.437 -0.083 30 20 DBED C[C@H](C#N)C(=O)N1CCOC2(C1)CN([C@H](C)C(=O)NC1CC1)C2 1053187218 GZUKCBGRHNTMRG-VXGBXAGGSA-N 320.393 -0.274 30 20 DBED O=C(C#CC1CC1)N1CCOC2(CN(Cc3nc(O)n[nH]3)C2)C1 1053250233 LDLDDBAZPBPXEW-UHFFFAOYSA-N 317.349 -0.663 30 20 DBED CNC(=O)CN1CC2(C[C@@H](NC(=O)c3c[nH]c(C#N)c3)CO2)C1 1053780985 YQPXEOZHOSZWBS-GFCCVEGCSA-N 317.349 -0.795 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)c3cc(=O)n(C)o3)CO2)C1 1053786928 QJDCPGNDEYFVTD-NSHDSACASA-N 305.334 -0.425 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)[C@@]3(C)CCNC3=O)CO2)C1 1053926123 WFPDSPVCQJUCFW-DOMZBBRYSA-N 305.378 -0.505 30 20 DBED C[C@@H]1CN(C(=O)c2ccc(S(N)(=O)=O)o2)C[C@H]1NCC#N 1054853260 FJNNVDDFJVVMGZ-RKDXNWHRSA-N 312.351 -0.499 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(c2ncnc3c2nnn3C)CC1 1055742627 WMOWIUBBBVLBJN-VIFPVBQESA-N 300.326 -0.433 30 20 DBED N#Cc1cnccc1N1C[C@H]2[C@H](NC(=O)[C@@H]3COCCO3)[C@H]2C1 1056136656 YXGHHICOSSIAFM-MYZSUADSSA-N 314.345 -0.081 30 20 DBED N#Cc1cnc(N2C[C@@H]3C(NC(=O)Cn4cccn4)[C@H]3C2)cn1 1056140356 DUQRXMYLNLDGFI-RYUDHWBXSA-N 309.333 -0.204 30 20 DBED Cn1ncc(C(=O)NC2[C@H]3CN(c4ccc(C#N)nn4)C[C@H]23)c1N 1056176259 LLQZCALLRUDBPY-QWRGUYRKSA-N 324.348 -0.471 30 20 DBED N#Cc1nccc(N2C[C@H]3[C@H](NC(=O)CN4CCCC4)[C@H]3C2)n1 1056225074 JEHGXOQCFWMTBN-ATCWAGBWSA-N 312.377 -0.005 30 20 DBED CCc1nc(C#N)cc(N2C[C@H]3[C@H](NC(=O)c4cnn[nH]4)[C@H]3C2)n1 1056470234 JKBSSDNZSDXYPY-MSRIBSCDSA-N 324.348 -0.107 30 20 DBED C=CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)[C@H](C)COC 1057192457 UMENLAYIELIZLE-OLZOCXBDSA-N 316.398 -0.203 30 20 DBED C#CCCCCC(=O)N(CCO)CCNC(=O)c1cn(C)nn1 1057388801 ZUULKIVZIRIPQG-UHFFFAOYSA-N 321.381 -0.441 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)c1ncccn1 1057519230 MULHWKUYEBYASM-UHFFFAOYSA-N 304.350 -0.313 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)CCc1cn[nH]c1 1057705188 FFZDJPKLLQAQRB-UHFFFAOYSA-N 324.381 -0.518 30 20 DBED C=C(C)CCC(=O)N(CCO)CCNC(=O)Cn1nccn1 1057805941 WQNKIQHEISMOEE-UHFFFAOYSA-N 309.370 -0.429 30 20 DBED CCCN(C)CCC(=O)NCCN(CCO)C(=O)[C@@H](C)C#N 1058654696 FNCAGPQCGBYDIC-ZDUSSCGKSA-N 312.414 -0.185 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)CCCn1cccn1 1058658586 GOMGQQZIKSXAHL-CYBMUJFWSA-N 321.381 -0.240 30 20 DBED C=CCCO[C@@H](C)C(=O)NC[C@@H]1COCCN1C(=O)COC 1061393617 KMHCQDOJFHXXDZ-QWHCGFSZSA-N 314.382 -0.042 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@H]1COCCN1C(=O)c1ccon1 1061542087 HXFRQUMTUSHOPO-ABAIWWIYSA-N 323.349 -0.041 30 20 DBED Cc1nc[nH]c1CC(=O)NC[C@@H]1COCCN1C(=O)[C@@H](C)C#N 1061744510 GZSAGGAESJSTKR-CMPLNLGQSA-N 319.365 -0.236 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)c1cc(=O)n(C)o1 1061846793 HOKLZCNSEWVUEJ-VHSXEESVSA-N 322.321 -0.905 30 20 DBED N#Cc1cncc(N2[C@H]3CC[C@H]2CN(C(=O)Cn2nccn2)C3)n1 1061995070 NKBRKPOJFNGAGW-STQMWFEESA-N 324.348 -0.180 30 20 DBED C=CCO[C@@H](C)C(=O)NCC1(NC(=O)[C@@H]2CNC(=O)N2)CCC1 1063424157 NCMLMINZZQHMKR-QWRGUYRKSA-N 324.381 -0.586 30 20 DBED N#Cc1cnc(N2CCO[C@@H](CNC(=O)c3cnon3)C2)cn1 1063638654 CFHDLHWSRDVTRE-JTQLQIEISA-N 315.293 -0.634 30 20 DBED N#Cc1nc(=NC[C@@H]2CCC[C@@H]2NC(=O)c2cnn[nH]2)cc[nH]1 1064150582 VTWNDLYWXDCGEO-UWVGGRQHSA-N 312.337 -0.101 30 20 DBED C=CCOCC(=O)N1CCO[C@@H](CNC(=O)Cn2cccn2)C1 1064975935 DRGXGBWCZFAZGX-ZDUSSCGKSA-N 322.365 -0.571 30 20 DBED C=CCOCC(=O)N1CCO[C@H](CNC(=O)CCCOC)C1 1064976293 HXCQOVNHIKLCEB-CYBMUJFWSA-N 314.382 -0.041 30 20 DBED C=CCC(CC=C)C(=O)N1CCO[C@H](CNC(=O)C(N)=O)C1 1065190444 SXSDTPNJLAGPIW-GFCCVEGCSA-N 309.366 -0.416 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CN(C(=O)CCc2cn[nH]c2)CCO1 1065200454 BJZDEWDATFBLAM-AAEUAGOBSA-N 319.365 -0.154 30 20 DBED C[C@H]1CN(C(=O)Cc2nc[nH]n2)C[C@H]1N=c1cc[nH]c(C#N)n1 1067144072 IFZKGRFPIYAWIV-VHSXEESVSA-N 312.337 -0.610 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCCN(C)C(=O)[C@H]1CCCNC1=O 1067641990 VTMBILQMERYRCD-RYUDHWBXSA-N 308.382 -0.021 30 20 DBED C#CCO[C@H](C)C(=O)N1CCOC2(CN(C(=O)COCC)C2)C1 1068395861 DGVSIGMSVSUFNI-CYBMUJFWSA-N 324.377 -0.499 30 20 DBED C=CCCC(=O)N[C@@H]1COC2(C1)CN(C(=O)[C@H]1CNC(=O)N1)C2 1068757211 OUNCRMKEGCIZJB-WDEREUQCSA-N 322.365 -0.880 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1COC2(C1)CN(C(=O)c1csnn1)C2 1069003245 LDLRHLVAGACGGA-RKDXNWHRSA-N 321.362 -0.203 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H]2COCCO2)C1 1069898577 QRXGPFCAXWBUKL-FRRDWIJNSA-N 307.354 -0.779 30 20 DBED N#CCN[C@@H]1CN(C(=O)c2ccsn2)C[C@@H]1n1ccnn1 1070215211 JHKDFBRGVSRYIM-MNOVXSKESA-N 303.351 -0.087 30 20 DBED N#CCN1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CCC(=O)N2)C1 1070401925 XIBQWPHUMJVENG-ZYHUDNBSSA-N 316.365 -0.383 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2cn(C)cn2)C[C@H]1c1cn(C)cn1 1070484050 ODHBTLLRCPADHQ-GXTWGEPZSA-N 312.377 -0.015 30 20 DBED C=CCN[C@@H]1CCO[C@H]1C1CCN(C(=O)Cn2ncnn2)CC1 1071055419 CKYBRZIWGIXLRS-HIFRSBDPSA-N 320.397 -0.155 30 20 DBED C=CCOCC(=O)N1C[C@H](C)[C@H](NC(=O)CCc2nc[nH]n2)C1 1071809764 YLFIURUBBKSHJG-NWDGAFQWSA-N 321.381 -0.097 30 20 DBED C=CCCN1CCCO[C@@H](CNC(=O)[C@H]2CN(C)C(=O)N2)C1 1073726682 PCEGZRQTRAFSNF-QWHCGFSZSA-N 310.398 -0.207 30 20 DBED N#CCN1CCCO[C@@H](CNC(=O)[C@@H]2CCCCN2C(N)=O)C1 1073853776 OFTFYAGPPNMPPN-STQMWFEESA-N 323.397 -0.350 30 20 DBED C=CCOCC(=O)NCC[C@H](C)NC(=O)[C@H]1CCCC(=O)N1 1075920230 VYQREIWQPKDRGL-NWDGAFQWSA-N 311.382 -0.131 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)[C@@H]1CCCO1 1076217764 HJCBVAFYCXAPBM-RYUDHWBXSA-N 309.366 -0.684 30 20 DBED C[C@@H](CCNC(=O)Cn1cnnc1O)NC(=O)C#CC1CC1 1076225817 CLFJAVUOZPARRT-JTQLQIEISA-N 305.338 -0.592 30 20 DBED C=C(C)CCC(=O)NCC[C@H](C)NC(=O)CN1CCNC(=O)C1 1076798606 IYONDSCHBZGKCH-ZDUSSCGKSA-N 324.425 -0.215 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@@]2(C)CCCS2(=O)=O)C1 1077824010 HOOWCSRUUZWNGT-YRGRVCCFSA-N 314.407 -0.862 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)c2cccnc2C(N)=O)C1 1078214242 YARQGWCPRRGLOE-GHMZBOCLSA-N 324.768 -0.292 30 20 DBED C=CCOCCCC(=O)N(CC)C1CN(C(=O)CC(N)=O)C1 1079549817 SASMBHQHLKHMCG-UHFFFAOYSA-N 311.382 -0.096 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)[C@H](C)CC(N)=O)C1 1080217840 NOGGTDPUOXEZDN-NEPJUHHUSA-N 323.393 -0.405 30 20 DBED CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)[C@@H]2CCC(=O)N2C)C1 1080420426 UKRZBRWLMJXANB-PWSUYJOCSA-N 306.366 -0.174 30 20 DBED C[C@@H](C#N)C(=O)NC1(CO)CCN(C(=O)c2ccon2)CC1 1080979932 FEKMTFBWTWNJJZ-JTQLQIEISA-N 306.322 -0.082 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)Cc2ccnn2C)C[C@H]1O 1081336146 UJVNARNIEHNNIK-TZMCWYRMSA-N 320.393 -0.136 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(C(=O)CCC=C)C[C@@H]1O 1081489157 QLUQQIRHJKAAFP-KGLIPLIRSA-N 308.378 -0.072 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cnn[nH]2)C1 1081589788 IPFSFZGWVNWCTB-CMPLNLGQSA-N 305.338 -0.987 30 20 DBED CC#CCCCC(=O)NC[C@H]1CN(C(=O)c2cnon2)C[C@H]1O 1081672426 XZSRWXPKCGEMAR-WCQYABFASA-N 320.349 -0.188 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@H](CNC(=O)Cc2ncc[nH]2)C1 1081693847 XUDYUFYDBFFCBJ-OLZOCXBDSA-N 318.377 -0.453 30 20 DBED C=C1CC(C)(C(=O)NC[C@H]2CN(C(=O)c3nc[nH]n3)C[C@H]2O)C1 1081751910 BHMCGLOAWYJEBU-WDEREUQCSA-N 319.365 -0.290 30 20 DBED C#CCN1C[C@@H](NC(=O)c2ccnc3[nH]nnc23)[C@H](OC)C1 1081928082 HPRYJLLWUWGDPH-GHMZBOCLSA-N 300.322 -0.585 30 20 DBED C=C(Cl)CN[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)N2)C[C@H]1C 1082927321 XQBOUHLPURPSAJ-FBIMIBRVSA-N 321.830 -0.133 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CCCNC1=O 1083111963 GDMDWVORLZKDQX-MELADBBJSA-N 305.378 -0.553 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)CN2Cc3ccccc3C2=O)C1 1083968068 CNHHLYKYSBDONO-KGLIPLIRSA-N 314.345 -0.673 30 20 DBED C#CCCN1CC[C@@H]2CN(C(=O)[C@@H]3CC(=O)NC(=O)N3)[C@@H]2C1 1084689382 DEXMYOXMKBYEDZ-GRYCIOLGSA-N 304.350 -0.860 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2cnc3[nH]nnc3c2)[C@H](O)C1 1090326563 JVHJOXCGPSSZMR-WCQYABFASA-N 314.349 -0.459 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(c2cnc(F)cn2)C[C@H]1O 1090494378 CIKTWUNSIJJLNL-GHMZBOCLSA-N 308.313 -0.679 30 20 DBED C[C@@H]1CN(c2ncc(C#N)cc2F)C[C@H]1NC(=O)CNC(N)=O 1090650297 ZIEFLOPVGTUGNG-LDYMZIIASA-N 320.328 -0.298 30 20 DBED C=CCCN1CC[C@H](NC(=O)CN2C(=O)CCC2=O)[C@H](O)C1 1090793571 FXTKCDMSZWFFPP-NWDGAFQWSA-N 309.366 -0.737 30 20 DBED CSCC(=O)N[C@H]1CCN(c2nccnc2C#N)C[C@H]1O 1092147724 IGQCUEXARDDGOY-GXSJLCMTSA-N 307.379 -0.233 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(c2nccc(OC)n2)C[C@H]1O 1092153441 IAEPPCPLNMUQQI-NWDGAFQWSA-N 322.365 -0.256 30 20 DBED C[C@H](NC(N)=O)C(=O)N[C@H]1[C@@H]2CN(c3ncccc3C#N)C[C@@H]21 1093258127 IHERYSDINQWWAZ-OHBODLIOSA-N 314.349 -0.439 30 20 DBED N#Cc1cnc(N2C[C@@H]3C(NC(=O)CCn4ccnn4)[C@H]3C2)cn1 1093260789 PRNPIQOTMLVEDQ-RYUDHWBXSA-N 324.348 -0.419 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H]1[C@@H]2CN(c3ccc(C#N)nn3)C[C@@H]21 1093309631 AABPQFRKDHUFFW-PBOSXPJTSA-N 311.345 -0.063 30 20 DBED N#Cc1ccc(NCCNC(=O)CNC(N)=O)c([N+](=O)[O-])c1 1093501224 UAOBVYSGPGAGTP-UHFFFAOYSA-N 306.282 -0.337 30 20 DBED Cc1cn2ccnc(C(=O)NCCN=c3cc[nH]c(C#N)n3)c2n1 1093848058 LVDRYHOOVPXFOL-UHFFFAOYSA-N 322.332 -0.037 30 20 DBED Cc1cc(=NCCCNC(=O)[C@H]2CN(C)CCO2)c(C#N)c[nH]1 1094349535 ZUBIIZYIVJJNLE-OAHLLOKOSA-N 317.393 -0.068 30 20 DBED N#Cc1nccnc1NCCCNC(=O)[C@H]1CCNC(=O)C1 1094382042 MVKMFVGERFEPJL-JTQLQIEISA-N 302.338 -0.207 30 20 DBED C#CCN1CCN(C(=O)c2ccco2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094600298 NQKQIEKQXDGERV-NWDGAFQWSA-N 308.359 -0.164 30 20 DBED CN1CC[C@@H](C(=O)NCCCN(C)c2cncc(C#N)n2)C1=O 1095701759 WBFPUAGRKLHZBN-LBPRGKRZSA-N 316.365 -0.231 30 20 DBED COCC(=O)NCCCN1CCN(c2cnc(C#N)cn2)CC1 1096245662 ZTGMHSGIUMYKHS-UHFFFAOYSA-N 318.381 -0.377 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CCN(c2nc(O)c3cnn(C)c3n2)C1 1096338959 OAYNGNCNHXYWIK-RKDXNWHRSA-N 315.337 -0.077 30 20 DBED CNC(=O)NCC(=O)N[C@@H]1CCN(c2ccncc2C#N)C1 1096492804 COVBIKTWKQIPCR-LLVKDONJSA-N 302.338 -0.423 30 20 DBED C[C@H](CNC(=O)[C@@]1(C)CNC(=O)C1)Nc1ccc(C#N)nn1 1098153830 YPZMDPANGYUFAG-YMTOWFKASA-N 302.338 -0.209 30 20 DBED C[C@H](CNC(=O)CN1CCOCC1=O)Nc1ncccc1C#N 1098355698 IZIPYCITLZJBBA-LLVKDONJSA-N 317.349 -0.271 30 20 DBED C=CCN(CCO)C1CCN(C(=O)[C@H](C)S(C)(=O)=O)CC1 1098406894 YNXQRMLGOGEEAO-LBPRGKRZSA-N 318.439 -0.109 30 20 DBED C[C@H](CCNC(=O)C[C@H]1CCC(=O)N1)N=c1cc[nH]c(C#N)n1 1099299129 TXSIFCAZQMIDIJ-GHMZBOCLSA-N 316.365 -0.254 30 20 DBED N#CCNC(=O)CN1CC[C@@H](NC(=O)C2CCCC2)[C@H](O)C1 1099611401 QISJNOHQBMVMKD-CHWSQXEVSA-N 308.382 -0.632 30 20 DBED Cn1ncc(CN2CC[C@H](NC(=O)C#CC(C)(C)C)[C@@H](O)C2)n1 1099829756 IBXFDKRHRDAPHM-KBPBESRZSA-N 319.409 -0.084 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)[C@@H]2[C@H]3COC[C@H]32)[C@H](O)C1 1099949725 UVJGOACEJYFFHC-KHMAMNHCSA-N 310.394 -0.367 30 20 DBED C=CCCCN1CC[C@@H](NC(=O)CS(=O)(=O)NC)[C@H](O)C1 1100117222 FBLXALHPPLQYGC-VXGBXAGGSA-N 319.427 -0.947 30 20 DBED CCN(CCNC(=O)[C@@H]1CCNC1=O)c1ccnc(C#N)n1 1100694549 CZGNFNMZIFTIST-SNVBAGLBSA-N 302.338 -0.573 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)[C@@H]1CC[C@H]1C(N)=O 1101892894 LFKQHHAXOVHYRD-NXEZZACHSA-N 302.338 -0.848 30 20 DBED C#CCN1C[C@@H](C)[C@H](CNC(=O)[C@@H](CCC)S(N)(=O)=O)C1 1102188095 YGQRHAJEFVJHQB-JHJVBQTASA-N 315.439 -0.239 30 20 DBED CC(=O)NCC(=O)NCC[C@H]1CCN(c2ccnc(C#N)n2)C1 1102268677 PCVKRXULWIEXTA-LBPRGKRZSA-N 316.365 -0.183 30 20 DBED CNC(=O)NCCC(=O)NC[C@@H](C)CNc1nccnc1C#N 1103929479 ZKNWJMGVHVGNLJ-SNVBAGLBSA-N 319.369 -0.168 30 20 DBED C[C@@H](CNC(=O)c1nnn(C)n1)CNc1ncccc1C#N 1104181377 ANZSVBYHCHOAOF-SECBINFHSA-N 300.326 -0.045 30 20 DBED C[C@@H](CN=c1cc[nH]cc1C#N)N(C)C(=O)[C@H]1CN(C)C(=O)N1 1104766413 JIQWSBJONROOHJ-GXFFZTMASA-N 316.365 -0.342 30 20 DBED C#CCNC(=O)CC(=O)N(C)CCN(C)c1nccc(OC)n1 1105368189 DZJODBRYOGYNAA-UHFFFAOYSA-N 319.365 -0.481 30 20 DBED C=C[C@](C)(O)CC(=O)N(C)CCN(C)c1ccc2nnnn2n1 1105379939 SAMKTIGRNCYHOH-AWEZNQCLSA-N 319.369 -0.259 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC(n2cc(CNC[C@H](C)O)nn2)C1 1105381152 QAXWEBWTRGOABY-RYUDHWBXSA-N 323.397 -0.277 30 20 DBED Cc1cc(C#N)nc(N(C)CCN(C)C(=O)c2cnn[nH]2)n1 1105602077 GNPYXNMCQSDTMK-UHFFFAOYSA-N 300.326 -0.017 30 20 DBED N#Cc1nccnc1NC[C@H](O)CNC(=O)Cc1cc[nH]n1 1105761315 ATHXILHHZFSGAB-SNVBAGLBSA-N 301.310 -0.797 30 20 DBED CC(C)(C)C(=O)C(=O)NC[C@H](O)CNc1ccc(C#N)nn1 1105765550 BLUOHHVHEIVBSS-SNVBAGLBSA-N 305.338 -0.148 30 20 DBED Cc1nc(NC[C@@H](O)CNC(=O)[C@@H](C)C#N)nc(N(C)C)n1 1105773847 NUMYOUWKQGCRTG-WPRPVWTQSA-N 307.358 -0.705 30 20 DBED Cn1nccc1C(=O)NC[C@H](O)CNc1ccc(C#N)cn1 1105780092 OMXCEODLXLRSMV-LLVKDONJSA-N 300.322 -0.110 30 20 DBED Cc1nc(C(=O)N2C[C@@H](C)[C@H](CNCC(=O)NCC#N)C2)co1 1106047232 FRDMYYDFHOVUIQ-ZYHUDNBSSA-N 319.365 -0.080 30 20 DBED C=CCCn1cc(C(=O)NC[C@H](O)CNc2ncccn2)nn1 1106135327 RPHURQUPUQKRRQ-NSHDSACASA-N 317.353 -0.153 30 20 DBED C[C@@H](CCNc1cnc(C#N)cn1)NC(=O)Cn1cnnc1O 1106287107 DWXBGLRONJTAAO-VIFPVBQESA-N 316.325 -0.348 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)[C@H]2CN(C(C)=O)CCO2)C[C@H]1C 1106938178 OXNLCNZCLUOZHS-FVQBIDKESA-N 321.421 -0.059 30 20 DBED CCC(=O)NCC(=O)NC/C=C\CN=c1cc[nH]c(C#N)n1 1107078310 IEFYHFUMBKDLKN-ARJAWSKDSA-N 302.338 -0.619 30 20 DBED C=C(C)CN1CC(n2cc(CNC(=O)CN(C)C(C)=O)nn2)C1 1107132299 PTWOSPAGHBMORY-UHFFFAOYSA-N 320.397 -0.195 30 20 DBED C#CCN1CC(n2cc(CNC(=O)Cc3nnc(C)o3)nn2)C1 1107166855 DULWKMWBDNDCKZ-UHFFFAOYSA-N 315.337 -0.682 30 20 DBED Cc1cc(C#N)nc(NC/C=C/CNC(=O)[C@H]2CCNC2=O)n1 1107450679 FQAAQWYBDMLGOU-QAVQXKDTSA-N 314.349 -0.123 30 20 DBED C=CCCC(=O)NC[C@@]1(C)CN(Cc2nc(=O)n(C)[nH]2)CCO1 1107802392 QNUKXFRSROCKDJ-HNNXBMFYSA-N 323.397 -0.218 30 20 DBED C[C@@H](C#N)C(=O)NC[C@]1(C)CN(CCS(C)(=O)=O)CCO1 1107820701 BGRKVSMZXMXUAK-WCQYABFASA-N 317.411 -0.602 30 20 DBED C=C(Cl)CN1CCO[C@](C)(CNC(=O)[C@@H]2CNC(=O)N2)C1 1108166862 FYLSVJFVBQVQSY-GXFFZTMASA-N 316.789 -0.373 30 20 DBED C#CCCN1CCO[C@](C)(CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 1108211333 PLIMMBNHRWTBCL-WOSRLPQWSA-N 323.393 -0.750 30 20 DBED C=CCN1CCN(C(=O)CCOCC)[C@@H]2CS(=O)(=O)C[C@@H]21 1108463497 PLOBVODANVAGMO-QWHCGFSZSA-N 316.423 -0.091 30 20 DBED C=CCCN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN1CCNC(=O)C1)C2 1108739270 WRCXAZDDDVNWSG-KKUMJFAQSA-N 320.437 -0.037 30 20 DBED COCC(=O)N(C)CC(=O)N[C@@H](C)CNc1ccc(C#N)nc1 1108745505 HSXKNUQNJIXASU-NSHDSACASA-N 319.365 -0.025 30 20 DBED CNC(=O)C1(C(=O)N[C@H](C)CN(C)c2nccnc2C#N)CC1 1109018670 QSXPGOPBRPEMOK-SNVBAGLBSA-N 316.365 -0.185 30 20 DBED N#Cc1nccnc1NC1(CNC(=O)CCNC(N)=O)CC1 1110142806 BMCAPINCNYNJBQ-UHFFFAOYSA-N 303.326 -0.533 30 20 DBED CC(=O)N[C@@H](C)C(=O)N[C@]1(C)CCN(c2ccnc(C#N)n2)C1 1110717475 XFCFMBYQASLUPO-ZUZCIYMTSA-N 316.365 -0.042 30 20 DBED CCOCC(=O)N[C@]1(CO)CCCN(c2ccc(C#N)nn2)C1 1111326679 RDIUEARULXYBRV-OAHLLOKOSA-N 319.365 -0.168 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H]1COCCN1c1nccnc1F 1111700193 KKXODTCVDJFUPW-RYUDHWBXSA-N 322.340 -0.025 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](CNC(=O)C#CC3CC3)C2)nn1 1112719368 AEUXFMQKSJYCHJ-TZMCWYRMSA-N 311.345 -0.325 30 20 DBED Cc1cc(C(=O)N2CCN(CC(=O)NCC#N)CC2)cnn1 1112791904 FUENIOLNDSFTDJ-UHFFFAOYSA-N 302.338 -0.817 30 20 DBED C[C@H](N=c1cc[nH]c(C#N)n1)[C@@H](C)NC(=O)c1cncnc1O 1113198378 CVOMYHRIGPTELA-DTWKUNHWSA-N 313.321 -0.115 30 20 DBED COc1ncccc1C(=O)N1CCN(CC(=O)NCC#N)CC1 1113293052 LRUYJKSDVCWKAE-UHFFFAOYSA-N 317.349 -0.512 30 20 DBED C[C@@H](CNC(=O)CCn1cncn1)N(C)c1nccnc1C#N 1113492579 CXIIXFNJYZPGML-NSHDSACASA-N 314.353 -0.029 30 20 DBED C[C@@H](CC(=O)NC[C@H](C)N(C)c1nccnc1C#N)NC(N)=O 1113720825 UVHBZIITDPDHIG-UWVGGRQHSA-N 319.369 -0.264 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)CCc2cn(C)nn2)CC1 1113734989 BPSUCPVCQZZWRO-UHFFFAOYSA-N 320.397 -0.806 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)[C@H]3C[C@@H]3C(F)F)[C@H]2C1 1114203256 APGHGWOFKVFBQU-NAKRPEOUSA-N 311.332 -0.317 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)c3cnn(CC)n3)[C@@H]2C1 1114217678 UMZQMAILFWATCO-GHMZBOCLSA-N 318.381 -0.740 30 20 DBED C=C(Cl)CN1C[C@H]2C(NC(=O)CCNC(=O)COC)[C@@H]2C1 1114368402 LGTJEYNGCBDXEQ-GHMZBOCLSA-N 315.801 -0.062 30 20 DBED C=CCOCCN1C[C@H]2[C@H](NC(=O)C(=O)NCC(F)F)[C@H]2C1 1114508036 QOMQJBSUZZYGMJ-IAZYJMLFSA-N 317.336 -0.383 30 20 DBED CC#CCN1C[C@@H]2C(NC(=O)CNC(=O)c3cscn3)[C@H]2C1 1115083678 PJEGXSBYSJLWTJ-QWRGUYRKSA-N 318.402 -0.057 30 20 DBED CCOC(CCNC(=O)C(=O)N1CCO[C@@H](C#N)C1)OCC 1116998320 APOBPUPWAMBJTE-NSHDSACASA-N 313.354 -0.357 30 20 DBED C=CC(C)(C)Cn1nnnc1N1CCN2C(=O)NC(=O)[C@H]2C1 1120247033 NQVDAHWGMMXTEZ-SECBINFHSA-N 305.342 -0.374 30 20 DBED COCC(=O)N1CCC[C@@H]([C@@H]2CCCN2CC(=O)NCC#N)C1 1120279096 DUSZIWNLUMDHFA-KGLIPLIRSA-N 322.409 -0.024 30 20 DBED N#Cc1cccnc1N[C@H](CO)CNC(=O)CN1CCOCC1 1121345504 AUPUYSKMAVOOSJ-ZDUSSCGKSA-N 319.365 -0.826 30 20 DBED COCCOCCC(=O)NC[C@@H](CO)Nc1ccc(C#N)nc1 1121699548 NFRNDAPZMZFONA-AWEZNQCLSA-N 322.365 -0.105 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)Cn2nccn2)cn1 1122098042 JSSUYISRXGHLTJ-LBPRGKRZSA-N 301.310 -0.866 30 20 DBED CNC(=O)NCC(=O)N1C[C@H](Nc2nccnc2C#N)C[C@@H]1C 1123319680 NJMXALYBVYAIKB-VHSXEESVSA-N 317.353 -0.321 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)c1cn[nH]c1 1124084287 IXVUMKWSJWJLKD-VIFPVBQESA-N 308.342 -0.871 30 20 DBED Cc1cc(NC[C@@H](O)CN(C)C(=O)[C@@H](C)C#N)n2ncnc2n1 1124191668 OLIMIZYZRXVYRO-GXSJLCMTSA-N 317.353 -0.176 30 20 DBED CN(C[C@@H](O)CNc1cnc(C#N)cn1)C(=O)Cc1ncc[nH]1 1124482644 GTTYHJYLJVWKSQ-NSHDSACASA-N 315.337 -0.455 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)c1cnn(CC)c1 1125011641 ZPQGHBXOMPUIRZ-UHFFFAOYSA-N 322.369 -0.766 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)c1cncc(C)c1 1125195089 FBGRHGCEQUQGSH-UHFFFAOYSA-N 319.365 -0.279 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)c2ncccc2O)C1=O 1126125250 PHWYKIFPTCBEDC-NSHDSACASA-N 304.350 -0.107 30 20 DBED C#CCOCCC(=O)NCCNCCCS(=O)(=O)N(C)C 1127023755 QQYHSZDUOZSCMQ-UHFFFAOYSA-N 319.427 -0.986 30 20 DBED C#CCOCCC(=O)NCCN[C@@H](C)C(=O)NC(=O)NC1CC1 1127026981 CGCVXDTXAVOORT-NSHDSACASA-N 324.381 -0.891 30 20 DBED N#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)CC[C@@H]2CCOC2)C1 1128892030 YFHBUHFPGFHBLL-MCIONIFRSA-N 318.381 -0.040 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@@H]1CCCc2nccn21 1129416138 DTLGWLZABMTODM-LBPRGKRZSA-N 305.382 -0.232 30 20 DBED C=CCN[C@@H]1CN(C(=O)CC(=O)NCC)C[C@@H]1n1ccnn1 1129773966 FOUZTTRVWFQHQP-NEPJUHHUSA-N 306.370 -0.668 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1nc[nH]c2nccc1-2 1130858042 KLDSMFCJABSPFV-JTQLQIEISA-N 314.349 -0.633 30 20 DBED COCC#CCNCCNC(=O)c1ccccc1OCC(N)=O 1131062232 CSTHYPGGDIXLCF-UHFFFAOYSA-N 319.361 -0.480 30 20 DBED CCNC(=O)CN1C[C@H]2C[C@H]3CN(C(=O)[C@@H](C)C#N)C[C@@]3(C1)O2 1131199951 ABTBELXOQYSQEP-BCUIYNNISA-N 320.393 -0.416 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)[C@@H](C)NC(=O)CC)C[C@@]3(C1)O2 1131229863 BBKPTMQNDMSYME-UMPJEAMMSA-N 319.405 -0.164 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@@H]1CN(C(C)C)CCO1 1132858921 PAHZVWJHVODPRN-ZDUSSCGKSA-N 312.414 -0.896 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)Cc1cnoc1 1135265820 FKZYYAKQALJDLR-VXGBXAGGSA-N 306.366 -0.161 30 20 DBED C#CCN1CCC2(C1)CN(C(=O)CCC(=O)N1CCOCC1)C2 1148713786 HLDARMPSXUMLJI-UHFFFAOYSA-N 319.405 -0.207 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@H](C)Oc1ccccc1 1149779732 YXHTVILPYAYGPH-ZDUSSCGKSA-N 303.362 -0.091 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@H]1CCCn2nccc21 1161255753 BRSAGHUYFQTLQD-ZDUSSCGKSA-N 317.393 -0.394 30 20 DBED C[C@@H](C#N)C(=O)NCCC1(CN[C@@H]2CCC(=O)NC2=O)CC1 1163859575 FVNXOGRZQUEXFQ-WDEREUQCSA-N 306.366 -0.173 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)Cc2cnc[nH]2)C1=O 1167346306 MAOHBRKIPOYIDJ-CYBMUJFWSA-N 305.382 -0.165 30 20 DBED CC(C)n1ccc(C(=O)NCCCNCC(=O)NCC#N)n1 1167494303 BUQFYCHNDUANPC-UHFFFAOYSA-N 306.370 -0.187 30 20 DBED C=CCCn1cc(C(=O)NCCCNCc2nnnn2C)nn1 1167991255 KZUYKDGZVYFLQC-UHFFFAOYSA-N 319.373 -0.713 30 20 DBED COCC#CCNC[C@]1(C)CN(C(=O)CCNC(N)=O)C[C@H]1C 1183349059 VGINZILVNSANMH-CZUORRHYSA-N 324.425 -0.231 30 20 DBED CC#CCCCC(=O)N1CC[C@@H](NCc2nc(=O)n(C)[nH]2)C1 1185019671 LJPGRPVBMDZRQP-GFCCVEGCSA-N 305.382 -0.008 30 20 DBED C=CCOCCN[C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 1185634397 YFXUHPCXQOVJPN-FRRDWIJNSA-N 311.382 -0.588 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2[nH]cnc2CC)C1 1187501252 SHRAWGJEAOISFP-VXGBXAGGSA-N 317.393 -0.086 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)Cc2cccnc2)C1 1189663492 FFWPVJRIJRYBEO-OAHLLOKOSA-N 314.389 -0.094 30 20 DBED CCn1ccc(CN2C[C@@H](O)[C@H](NC(=O)CSCC#N)C2)n1 1191161363 AIWCJULIWWXRJS-CHWSQXEVSA-N 323.422 -0.179 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2ncccn2)C[C@H]1O 1192891302 JZHWYQSFMMHLAV-YNEHKIRRSA-N 304.350 -0.824 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)c2cc(C3CC3)on2)C1 1195068270 PZMKOIOMYCKDBU-ZIAGYGMSSA-N 319.361 -0.023 30 20 DBED C=CCCC1(C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@H]2O)CC1 1195906068 NNDWFCOZRHPBCJ-CHWSQXEVSA-N 320.393 -0.466 30 20 DBED Cc1conc1C(=O)N1CCCN(CC(=O)NCC#N)CC1 1197698953 OZWPQNXUBDYCCM-UHFFFAOYSA-N 305.338 -0.229 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)Cc2cc[nH]n2)CCCO1 1200164970 MIVORZPCYFMSQG-OAHLLOKOSA-N 320.393 -0.191 30 20 DBED C#CCNC[C@H]1CN(C(=O)[C@@H](CCC)NC(N)=O)CCCO1 1201951788 ATZNLPHSIJGOIJ-QWHCGFSZSA-N 310.398 -0.336 30 20 DBED C=CCNC(=O)NC(=O)CN[C@@H]1CCCN(C(=O)COC)C1 1206980999 VGOBTTYLLSFBEX-LLVKDONJSA-N 312.370 -0.775 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)Cc2cc[nH]n2)C1 1207731938 XAIBWITVMPGANC-ZDUSSCGKSA-N 305.382 -0.165 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)c2cn(C)cn2)C1 1207808240 WPBQRAOVTHZLSG-GFCCVEGCSA-N 303.366 -0.636 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCCN(C(=O)c2ncc[nH]2)C1 1207995489 JIQHTDOQRXGWNP-NWDGAFQWSA-N 303.366 -0.258 30 20 DBED COCC#CCN[C@H]1CCCN(C(=O)CN2CCCNC2=O)C1 1208489235 GMAAOIIODHREKZ-AWEZNQCLSA-N 322.409 -0.368 30 20 DBED C=CCNC(=O)[C@H](C)N[C@H]1CCCN(C(=O)Cn2cncn2)C1 1210974698 JKUXZYNGKSGKDY-STQMWFEESA-N 320.397 -0.451 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)Cn2ccnc2)[C@H](C)C1 1211452391 XKKANUKRKIEREC-CHWSQXEVSA-N 303.366 -0.931 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2ncnn2C)C[C@H]1OC 1212262535 RIWSEQFUPYQXPB-CHWSQXEVSA-N 321.381 -0.830 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(CCn2cncn2)C[C@H]1OC 1212264671 NLYSJOPGSBEDJQ-MGPQQGTHSA-N 321.381 -0.868 30 20 DBED C#CCC1(C(=O)N2C[C@@H](NCC(=O)NC(N)=O)[C@H](C)C2)CCC1 1214829702 GEONAFJSJJDWMY-VXGBXAGGSA-N 320.393 -0.189 30 20 DBED C#CCCCCC(=O)N[C@@H]1CN(CC(=O)NC(C)C)C[C@@H]1O 1219481992 GMXLHOCZSLQRIM-KGLIPLIRSA-N 309.410 -0.134 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)c2ccnn2CC)C1 1219511857 XTTMWELHUSKOIT-OCCSQVGLSA-N 308.382 -0.120 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)[C@H](C)CN2CCOCC2)C1 1220985897 JDMSXALPGGUFFC-KFWWJZLASA-N 311.426 -0.308 30 20 DBED CNC(=O)NC(=O)CN1CCC(CNC(=O)C#CC2CC2)CC1 1223129655 FUFFGZHHELPJSL-UHFFFAOYSA-N 320.393 -0.316 30 20 DBED C=CCN1CCC(CNC(=O)CCS(=O)(=O)NC)CC1 1223189121 FIYKRPQZKHPJJE-UHFFFAOYSA-N 303.428 -0.060 30 20 DBED N#CCNC(=O)CN1CCC(CNC(=O)c2csnn2)CC1 1223949452 BXLZXKYRTLIGOE-UHFFFAOYSA-N 322.394 -0.380 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCO1 1224630260 QBVXELJUOUOCIL-MCIONIFRSA-N 307.394 -0.068 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)[C@@H]2C[C@@H]2C(=O)OC)CC1 1226472136 YEAPFWUBOGNRGE-OLZOCXBDSA-N 323.393 -0.322 30 20 DBED C=CCNC(=O)NC(=O)CN1CC[C@H]1CN(C)C(=O)[C@@H](C)C#N 1231249087 YNBVRXJUNMVIBZ-RYUDHWBXSA-N 321.381 -0.309 30 20 DBED C#CCN1CC[C@H]1CN(C)C(=O)CN1C(=O)CC(C)(C)C1=O 1234356309 HAPFIRMWKNAAGO-LBPRGKRZSA-N 305.378 -0.063 30 20 DBED N#CCN1CCC(NC(=O)C(=O)NC[C@@H]2CCSC2)CC1 1258235261 XLAVLEVXZGMJAI-NSHDSACASA-N 310.423 -0.040 30 20 DBED Cn1cc(C(=O)[C@@H](C#N)C(=O)N2CCCC2)c(=O)n(C)c1=O 1263290646 YIDHZDJIADZGEX-SECBINFHSA-N 304.306 -0.971 30 20 DBED CC1=CC(=O)[C@H](C(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)C(=O)O1 1317779396 IHPJJNOHZPTKLY-ITKZLYELSA-N 318.285 -0.688 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CCN(CC(=O)Nc2ccon2)C1 1318331492 QEHOIPRHKCUCEM-VXGBXAGGSA-N 320.349 -0.158 30 20 DBED COC[C@@H](CCO)NC(=O)C(=O)Nc1cc(C)n(CCC#N)n1 1319783581 DUABTOMPODLWQK-LLVKDONJSA-N 323.353 -0.443 30 20 DBED COC[C@@H](C#N)OC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 1320925187 RGRNSHVORJVIQD-WXRNXJFHSA-N 308.290 -0.769 30 20 DBED CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCO[C@@H](C#N)C1 1322759300 YFVDOMSLAOGXIC-OLZOCXBDSA-N 308.382 -0.272 30 20 DBED COCCOC[C@@H]1CCN(C(=O)NCCn2cnc(C#N)n2)C1 1323388565 OBJMNDNLLQWQAD-GFCCVEGCSA-N 322.369 -0.156 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N1CC[C@](C)(C(=O)OC)C1 1325276355 ZQZAJIDOKSYBTD-INIZCTEOSA-N 304.346 -0.117 30 20 DBED C#CCSCCNC(=O)C(=O)N[C@@H]1CCc2c[nH]nc2C1 1326850917 PGGFXBBKUFVWTJ-LLVKDONJSA-N 306.391 -0.134 30 20 DBED C=CCN(C(=O)C(=O)NCCNC(=O)C1CC1)[C@H](C)COC 1327856679 WSMVMCLWAHQUIY-LLVKDONJSA-N 311.382 -0.322 30 20 DBED C=C(C)COCCNC(=O)C(=O)N1CC[C@@H]2NC(=O)CC[C@H]2C1 1329030552 ABSKBDFEVQMINS-STQMWFEESA-N 323.393 -0.178 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCN(C3CCOCC3)C2=O)nn1 1332170863 SDFSOLMIINFXFN-LBPRGKRZSA-N 319.365 -0.026 30 20 DBED C=C(C)CN(C)C(=O)C(=O)Nc1cnn(CC(=O)N(C)C)c1 1334604222 VYZYGRHTYNEKLN-UHFFFAOYSA-N 307.354 -0.056 30 20 DBED C=CCn1c([C@H](O)COC)nnc1N1CCN2C(=O)OC[C@@H]2C1 1356193031 KELSLIVXGSRHLC-WDEREUQCSA-N 323.353 -0.215 30 20 DBED Cn1cnnc1[C@H]1CCCN(C(=O)Cn2cnc(C#N)n2)C1 1362093496 NUCBPNLAZPFHGY-JTQLQIEISA-N 300.326 -0.316 30 20 DBED N#Cc1ccc(NCC(=O)N2CCN(c3nc[nH]n3)CC2)nc1 1363154568 FQTUHJLVDCZPJE-UHFFFAOYSA-N 312.337 -0.168 30 20 DBED CC[C@@H](CC#N)NCC(=O)NC1CCN(S(C)(=O)=O)CC1 1365306135 SFZOUXIWDIARKK-NSHDSACASA-N 316.427 -0.192 30 20 DBED N#Cc1cccc(CN2CC[C@@H]2CNC(=O)Cn2ncnn2)c1 1375312900 XKOBVNYZAVPUSE-CQSZACIVSA-N 311.349 -0.065 30 20 DBED C[C@H](C#N)C(=O)NC[C@]1(C)CCN(C(=O)c2cn(C)nn2)C1 1379855763 XAGUAIHCHQRIHV-YGRLFVJLSA-N 304.354 -0.057 30 20 DBED C[C@@H](C#N)C(=O)NCCN1CCN(C(=O)[C@@H]2CCCO2)CC1 1385534980 DZEBKGNBGXECJC-STQMWFEESA-N 308.382 -0.415 30 20 DBED C[C@H](C#N)C(=O)NC[C@]1(C)CCN(C(=O)c2cnn(C)n2)C1 1394443687 VKTSCABOSMQCPD-YGRLFVJLSA-N 304.354 -0.057 30 20 DBED CCN(CCC#N)C(=O)CN1CC[C@H](NC(=O)CNC(C)=O)C1 1400591601 SKYLQOVFYOEEEA-ZDUSSCGKSA-N 323.397 -0.925 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](NC(=O)C(C)(C)S(C)(=O)=O)C1 1407154353 ZYAGJFXOGGJQAG-NXEZZACHSA-N 315.395 -0.314 30 20 DBED CCN(CCNC(=O)[C@@H]1CCN(C)C(=O)C1)C(=O)[C@H](C)C#N 1408764321 JESITSWWKHCRAF-VXGBXAGGSA-N 308.382 -0.021 30 20 DBED COC(=O)[C@H]1[C@H](O)CCCN1S(=O)(=O)CC(C)(C)C#N 1414248580 QPGHJNDUJNIPPM-NXEZZACHSA-N 304.368 -0.136 30 20 DBED COC[C@H](C)C(=O)NC[C@H](O)CNC(=O)c1ccc(C#N)[nH]1 1431489229 BEBVMVFJMGEYAU-ONGXEEELSA-N 308.338 -0.624 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1cc(C2CC2)on1 1431571923 WWXOSMYPEJJWAZ-WPRPVWTQSA-N 306.322 -0.081 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N1CCC(CO)(CO)CC1 1434613485 LZWCJRZXHURBLT-LLVKDONJSA-N 305.400 -0.468 30 20 DBED C[C@@H](CNC(=O)c1cccn2c(O)nnc12)NC(=O)[C@H](C)C#N 1448085889 SVCIWEXQSAVHNA-BDAKNGLRSA-N 316.321 -0.171 30 20 DBED C[C@@H](COCC1CC1)NC(=O)Cn1cc(C#N)c(O)nc1=O 1469829698 VNMLDNBPLJNBCT-VIFPVBQESA-N 306.322 -0.248 30 20 DBED N#CCC1(CS(=O)(=O)N2CC[C@H](S(N)(=O)=O)C2)CC1 1475105979 QUEIXJNASUZFFR-VIFPVBQESA-N 307.397 -0.627 30 20 DBED COc1nn(C)cc1C(=O)N1CC(CNC(=O)[C@@H](C)C#N)C1 1498677541 KPIXRWNSCVFQHG-VIFPVBQESA-N 305.338 -0.223 30 20 DBED Cc1cnn(CCC(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2O)c1 1512977862 WAOBTSLEQODJNC-YNEHKIRRSA-N 319.365 -0.571 30 20 DBED CCC[C@@H](NC(N)=O)C(=O)N[C@H]1[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]21 1526232851 CGPXHFVOQWOEMT-PREPNJAASA-N 321.381 -0.444 30 20 DBED C[C@@]1(C(=O)O)CN(S(=O)(=O)c2cncc(C#N)c2)CCO1 1573605708 CLUWKTSVVXCLFV-LBPRGKRZSA-N 311.319 -0.183 30 20 DBED COCCN(CC(=O)OC)c1cnc(C#N)c(-c2nn[nH]n2)n1 1579792436 KCAZPYVSFTXVHQ-UHFFFAOYSA-N 318.297 -0.846 30 20 DBED C#CC[C@H](CCOC)NS(=O)(=O)c1cnn(CC(=O)O)c1 1588394253 NJQISCCYFQBUAG-SNVBAGLBSA-N 315.351 -0.326 30 20 DBED C#CC[C@H](NC(=O)[C@H](C)n1cnc2c(N)ncnc21)C(=O)O 1588399669 WYNWLSUAKLIHKR-YUMQZZPRSA-N 302.294 -0.438 30 20 DBED C=CC[C@@H](CO)NC(=O)C(=O)Nc1sccc1-c1nn[nH]n1 1588545981 SXWJMYDISVKGJN-ZETCQYMHSA-N 322.350 -0.080 30 20 DBED N#Cc1cc(F)cc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)O)c1 1601089932 ZHLIJSDYGDNOQE-KOLCDFICSA-N 314.294 -0.094 30 20 DBED C#CCN1CCN(C(=O)CN2C[C@H]3CC[C@H]2[C@@H](C(=O)O)C3)CC1 1602720256 OJDFTNJYIRTEHA-KKUMJFAQSA-N 319.405 -0.051 30 20 DBED N#CC1(C(=O)O)CCN(C(=O)NCc2nnnn2C2CC2)CC1 1608172755 OREHASJGUXSRCB-UHFFFAOYSA-N 319.325 -0.092 30 20 DBED C#C[C@H](C)NC(=O)NCCNc1ncccc1-c1nn[nH]n1 1609018691 DCZPFUDOTNQQSU-VIFPVBQESA-N 300.326 -0.006 30 20 DBED C#CCCCC(=O)N1CC[C@H](NCCN2C(=O)CNC2=O)C1 1731432429 BVTQQXNPGDYLDW-LBPRGKRZSA-N 306.366 -0.468 30 20 DBED COCC#CCN[C@H](C)CNC(=O)Cc1c(C)nc(O)nc1O 1752908138 DWWSHEYKELDQCL-SNVBAGLBSA-N 322.365 -0.517 30 20 DBED N#CCNCCNC(=O)[C@@H]1CCCN(C(=O)CCCC(N)=O)C1 1752927102 LNAJIOWMMDORTL-GFCCVEGCSA-N 323.397 -0.890 30 20 DBED Cc1cc(C(=O)NC[C@@H](C)CNCC(=O)NCC#N)ccn1 1753633159 BDQIXWQAMFNTSW-NSHDSACASA-N 303.366 -0.015 30 20 DBED C=CCOCC(=O)N(C)[C@@H](C)CN[C@@H](C)C(=O)NC(=O)NC 1753681758 CSIVWLATFGPTBY-QWRGUYRKSA-N 314.386 -0.530 30 20 DBED C#CCNC(=O)CN[C@H](CNC(=O)c1ccc(C#N)[nH]1)C(C)C 1753827422 PNQDHUZGHASKJY-CQSZACIVSA-N 315.377 -0.020 30 20 DBED C#CCNC[C@@H]1CCC[C@@H]1NC(=O)CN(C)S(=O)(=O)CC 1753899600 MLXVBDFRIQVCQM-STQMWFEESA-N 315.439 -0.224 30 20 DBED C#CCNC(=O)[C@H](C)NC1(CNC(=O)Cn2cccn2)CC1 1754508077 OKBVJJDPIGTHEB-LBPRGKRZSA-N 303.366 -0.741 30 20 DBED Cc1n[nH]cc1C(=O)N1CCC[C@H]1CNCC(=O)NCC#N 1754614438 YNWBCHHKEOTCAW-NSHDSACASA-N 304.354 -0.448 30 20 DBED C=C(C)CN1CC[C@@H](N2CCN(C(=O)[C@H](C)NC(N)=O)CC2)C1 1754662488 AIZBISLVLGJTDG-UONOGXRCSA-N 323.441 -0.162 30 20 DBED C=CCCNC[C@@]1(C)CCN(C(=O)CS(=O)(=O)NC)C1 1754711979 FOMHDAWCMRKSBN-CYBMUJFWSA-N 303.428 -0.060 30 20 DBED C=CCN1CC[C@H](N2CC(O)(CNC(=O)[C@H](C)C#N)C2)C1=O 1754765019 VBCKWNFYXFTAHR-NEPJUHHUSA-N 306.366 -0.904 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)CCNS(C)(=O)=O)C[C@@H]1C 1754819977 ZSOKREIYMBAAEG-QWHCGFSZSA-N 315.439 -0.367 30 20 DBED CCC(=O)N[C@H](C)C(=O)NC[C@@H]1CCC2(CN(CC#N)C2)O1 1755054299 MBRWAPTXEQCXID-NEPJUHHUSA-N 308.382 -0.226 30 20 DBED C[C@@H](O)CN[C@]1(CO)CCCN(C(=O)CSCC#N)C1 1755080594 IXHJHINMMSWNDW-DGCLKSJQSA-N 301.412 -0.433 30 20 DBED C#CCCN[C@@H]1CN(C(=O)CS(=O)(=O)N(C)C)C[C@@H]1C 1755121689 DJDCCWSPRUFFEC-NWDGAFQWSA-N 301.412 -0.662 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)[C@@H]2[C@H]3COC[C@H]32)C[C@H]1C 1755163171 DPMVQTJAAMGVNX-FAHYXWLWSA-N 319.405 -0.403 30 20 DBED C#CCN(C)C[C@H]1CCCN1C(=O)CN(C)S(=O)(=O)CC 1755200510 HQMGSJTWWAHDRQ-CYBMUJFWSA-N 315.439 -0.176 30 20 DBED C#Cc1cncc(C(=O)N[C@@H](C)[C@H](C)NCc2nnnn2C)c1 1755252994 NRMUYXWWBCQMMR-QWRGUYRKSA-N 313.365 -0.117 30 20 DBED C#CCNC(=O)CN1CC([C@H](C)NC(=O)Cc2ccn(C)n2)C1 1755373948 NPXFLELBSVCNQU-LBPRGKRZSA-N 317.393 -0.852 30 20 DBED C=CCN[C@H](C)[C@@H]1CN(C(=O)CN2CCCNC2=O)CCO1 1755445271 QUALIEOJZGLBHG-OLZOCXBDSA-N 310.398 -0.207 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@H]1C[C@H](NC(=O)c2cnns2)C1 1755466554 VZHUUVNMRRTWDO-GMTAPVOTSA-N 321.406 -0.226 30 20 DBED Cn1nnc(CNCCCOCCNC(=O)C#CC(C)(C)C)n1 1755552989 AQYJTHDGWVZXSK-UHFFFAOYSA-N 322.413 -0.128 30 20 DBED CN(C(=O)[C@@]1(C)CCOC1)[C@H](CNCC(=O)NCC#N)C1CC1 1755569323 UCZAKFHHIKMYRT-CJNGLKHVSA-N 322.409 -0.121 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H](CO)CNC(=O)c1c[nH]c(C#N)c1 1755625332 JCAFCLIWHRUEKP-ZWNOBZJWSA-N 319.365 -0.743 30 20 DBED C#CCCN[C@@H]1CCN(C(=O)CN(C)S(=O)(=O)CC)[C@@H]1C 1755662654 AMFHADUWGQFRCL-CHWSQXEVSA-N 315.439 -0.130 30 20 DBED C#CCNCCOCCN(C)C(=O)c1ccnc2c1CC(=O)N2 1755874310 HMFGATDDUTXRGB-UHFFFAOYSA-N 316.361 -0.112 30 20 DBED C[C@H](NC(=O)C#CC1CC1)C1CN(C(=O)CC(=O)N(C)C)C1 1756150054 PFKZNOJMAPQBIJ-NSHDSACASA-N 305.378 -0.159 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H](CO)CNC(=O)/C=C(\C)C1CC1 1756506184 QBGWBFJYBKZENN-BZDUZIPRSA-N 308.378 -0.026 30 20 DBED C=CCC(C)(C)C(=O)N[C@@H](CO)CNC(=O)C1(C(N)=O)CC1 1756546469 OAVKTQKZCLRTBW-SNVBAGLBSA-N 311.382 -0.553 30 20 DBED C[C@@H]1[C@H](NC(=O)CC(N)=O)CCCN1C(=O)c1cc(C#N)c[nH]1 1756624088 URHFYCQNENDQPJ-MWLCHTKSSA-N 317.349 -0.129 30 20 DBED Cc1cn(C)nc1C(=O)N1C[C@@H](O)[C@H](NC(=O)C#CC2CC2)C1 1756993527 DXCZWORPTYOITE-CHWSQXEVSA-N 316.361 -0.557 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(C(=O)c2cocn2)C[C@@H]1O 1757169268 UBXSKERRKACSHO-PUYPPJJSSA-N 309.322 -0.697 30 20 DBED C=CCCCC(=O)N[C@@H]1CN(C(=O)[C@H]2CCCC(=O)N2)C[C@@H]1O 1757207341 SBDNPXLCUCZSSC-UPJWGTAASA-N 323.393 -0.301 30 20 DBED N#CCCC(=O)N1CCCC12CN(C(=O)[C@H]1CNC(=O)C1)C2 1842814671 YSAWATOIJGECFV-LLVKDONJSA-N 304.350 -0.370 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)[C@@H](C)NC=O)C1 1845176913 XPFYTJZCLBBZRM-OLZOCXBDSA-N 321.377 -0.637 30 20 DBED CC(C)(C#N)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)COCCO 1847346420 LQANSFLRRJLNBW-RYUDHWBXSA-N 309.366 -0.253 30 20 DBED CCCNC(=O)CNC(=O)CNC(=O)c1ccc(C#N)cc1 171107096 DKWOZLOFDAPWCG-UHFFFAOYSA-N 302.334 -0.070 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(C[C@H](O)CSC)c1=O 187816160 DJEUEFLGBUKIHZ-JTQLQIEISA-N 313.379 -0.732 30 20 DBED C#CCN(C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)C1CC1 274023200 IUUSDPLATGASDM-UHFFFAOYSA-N 315.333 -0.942 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](CO)C2CCCC2)C1=O 291177791 HWKIARVVUVWDAK-LLVKDONJSA-N 323.349 -0.370 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1CC[C@@H]([C@H](C)O)C1 330369366 BPYWUZSVDFTBLQ-NWDGAFQWSA-N 305.400 -0.204 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N[C@H](CO)c1cnn(C)c1 330372205 JZIBEZZIMSFLTP-MWLCHTKSSA-N 301.372 -0.621 30 20 DBED CC(C)/N=C(/O)NC(=O)[C@H](C)N1CCO[C@@H](Cn2cncn2)C1 330645496 GDIWXLBVAPMYQY-NWDGAFQWSA-N 324.385 -0.194 30 20 DBED CNC(=O)[C@H]1CCCN(/C(O)=N/CCN2C(=O)CCC2=O)C1 330838688 VMJIYYFCQAIZFS-JTQLQIEISA-N 310.354 -0.493 30 20 DBED CCO[C@H]1C[C@@](CO)(NC(=O)Cn2cnc(C#N)n2)C1(C)C 332035886 PCIULFSKZYFLGB-HZMBPMFUSA-N 307.354 -0.168 30 20 DBED CCN(Cc1cnn(C)c1)S(=O)(=O)N1CCO[C@H](C#N)C1 336916837 NRTKKRDCDMFMSF-GFCCVEGCSA-N 313.383 -0.289 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N1C[C@@H](CO)OC[C@@H]1C 336953826 WXKGCPHRPMMRCT-WOPDTQHZSA-N 305.400 -0.206 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CCN(CC(C)(C)O)CC1 337064445 JJHLYUVJGHTYRZ-UHFFFAOYSA-N 318.443 -0.145 30 20 DBED CC(=O)NCC(=O)NCC(=O)N[C@@H](C#N)c1ccccc1F 342859863 HZLMIHGVPVGAIG-LBPRGKRZSA-N 306.297 -0.241 30 20 DBED C[C@@H](O)CN1CCN(C(=O)Nc2ccn(CCC#N)n2)CC1 345205510 UHUHSKSIABAQMO-GFCCVEGCSA-N 306.370 0.327 30 20 DBED N#Cc1cccc(CN2C(=O)CC[C@@H]2C(=O)NCC(N)=O)c1 355334785 SVIOTGOMVKIKCL-GFCCVEGCSA-N 300.318 -0.349 30 20 DBED COC(=O)[C@@H](O)CNS(=O)(=O)c1ccc(C#N)cc1OC 361971690 DMIJUXQIENGIBH-VIFPVBQESA-N 314.319 -0.621 30 20 DBED N#CCNC(=O)CN1CCC[C@@H](N2CCCS2(=O)=O)C1 408402069 JUIPOYQCRVKGHB-LLVKDONJSA-N 300.384 -0.874 30 20 DBED C=C(C)COCCNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C 419405279 SLBNVBJRQHRLLN-VXGBXAGGSA-N 313.398 -0.076 30 20 DBED C=CCN1CCC(NC(=O)C(=O)N2CCNC(C)(C)C2)CC1 419730711 QAIVUWAATBOLLA-UHFFFAOYSA-N 308.426 -0.037 30 20 DBED CN(CC(=O)NCCCN(C)S(C)(=O)=O)CC(C)(C)C#N 433312202 PTKVRBIJUPBAEA-UHFFFAOYSA-N 318.443 -0.134 30 20 DBED C#CCN1CCC(C(=O)Nc2ncn(CC(=O)N(C)C)n2)CC1 490687997 GNGXDHBZZGYWSD-UHFFFAOYSA-N 318.381 -0.350 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCCN2CC)CC1 491803699 JPEPTQOITYBWPI-HNNXBMFYSA-N 320.437 -0.246 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)CC1 566801061 QALYRMSZFVVDOE-OLZOCXBDSA-N 322.409 -0.843 30 20 DBED CCC(CC)(NC(=O)C1CN(c2ccnc(C#N)n2)C1)C(N)=O 574415348 WKVMPDXYJYTLCF-UHFFFAOYSA-N 316.365 -0.055 30 20 DBED C=CCNC(=O)NC(=O)CN1[C@H]2C[C@H]3[C@H]([C@@H]2O)[C@@H]2C[C@H]3[C@H](O)[C@@H]21 575872139 GSSTZGQRACTLPF-SYMYPATASA-N 321.377 -0.941 30 20 DBED COC1(CNC(=O)C(=O)NC2CCN(CC#N)CC2)CCC1 588124037 SWLRFFZSZVXGQN-UHFFFAOYSA-N 308.382 -0.224 30 20 DBED N#CC1CN(S(=O)(=O)c2cnc3nc(O)nc(O)c3c2)C1 590092555 QHGHODPCDSGZCH-UHFFFAOYSA-N 307.291 -0.420 30 20 DBED N#Cc1ccccc1S(=O)(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 594874761 TWZPLYDIJTWAFU-NEPJUHHUSA-N 320.374 -0.509 30 20 DBED CCN(C1CCN(C)CC1)S(=O)(=O)N1CCO[C@@H](C#N)C1 601428006 JKAVGKREIDSEEI-ZDUSSCGKSA-N 316.427 -0.128 30 20 DBED CC(C)[C@@](C)(C#N)NC(=O)Cn1cc(CN2CCNCC2)nn1 603170857 JKOFWOFSSLWKPH-OAHLLOKOSA-N 319.413 -0.262 30 20 DBED CN1CCN(C(=O)CN(C)CC(=O)N[C@](C)(C#N)C2CC2)CC1 611522607 KXKKCUSPSUBZQO-MRXNPFEDSA-N 321.425 -0.499 30 20 DBED CCOC[C@H](C(=O)OC)N(C)S(=O)(=O)N(C)[C@H](C)CC#N 619750872 LCEHXORJCSMRCK-GHMZBOCLSA-N 321.399 -0.025 30 20 DBED C#CCOCCNC(=O)N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 753378199 LTIIQCVKLXYHKW-NSHDSACASA-N 308.338 -0.686 30 20 DBED N#Cc1ccc(S(=O)(=O)NCC(=O)O[C@@H]2CCOC2=O)cc1 769642248 VDCAMYAVTBXFMS-LLVKDONJSA-N 324.314 -0.305 30 20 DBED C#C[C@H](NC(=O)c1ccc(S(=O)(=O)NC)nc1)[C@H]1CCCO1 775322741 GCTQHWXMCNZMFA-NWDGAFQWSA-N 323.374 -0.100 30 20 DBED COCC[C@H](NC(=O)C#Cc1ccc2c(c1)OCO2)C(N)=O 775977096 PZAAURZTJDTGJT-NSHDSACASA-N 304.302 -0.227 30 20 DBED C#CCOCCNC(=O)c1cc(N2CCNC(=O)C2)ccn1 787264313 KSXDHOHVNFOKLA-UHFFFAOYSA-N 302.334 -0.603 30 20 DBED C[C@@H](Oc1ccc(C=NNC(=S)NCC(N)=O)cc1)C(=O)O 794909531 TTWISBQBGPESHF-MRVPVSSYSA-N 324.362 -0.178 30 20 DBED C[C@](C#N)(NC(=O)COC(=O)CCn1cnccc1=O)C1CC1 796331662 WNJRFKSERBMZAT-OAHLLOKOSA-N 318.333 -0.015 30 20 DBED Cn1cc(S(=O)(=O)NC(=O)c2ccc(C#N)o2)cc1C(N)=O 796697108 NQSXEKBAKKSOHN-UHFFFAOYSA-N 322.302 -0.293 30 20 DBED C#CCC[C@H](O)CNS(=O)(=O)c1ccc(C(=O)OC)nc1 798486792 UVSLRXCWGKAXHZ-JTQLQIEISA-N 312.347 -0.079 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)NCCN1C(=O)CSC1=O 800901135 OKMRVIJGDTYIHW-QMMMGPOBSA-N 320.396 -0.250 30 20 DBED C=CC[C@@H](NC(=O)C(=O)N1CCNC(=O)C1)c1ccncc1 805809900 ZNEWHTXIHSLIHS-GFCCVEGCSA-N 302.334 -0.227 30 20 DBED C#Cc1cncc(C(=O)NCC(=O)N2CCN(CC)CC2)c1 844144999 ZDWKJQZTOAZMPI-UHFFFAOYSA-N 300.362 -0.043 30 20 DBED C#CC[C@H](NC(=O)[C@H](C)n1cnc2c(N)ncnc21)C(=O)OC 854910325 TYNHTGINYRRHBH-IUCAKERBSA-N 316.321 -0.349 30 20 DBED C=C(C)C[C@H](NC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)C(=O)O 864186959 ARJUIQDJFIKCTB-QRGHLMKCSA-N 321.333 -0.367 30 20 DBED C#CC1(O)CN(S(=O)(=O)N2CCC(C(=O)OCC)CC2)C1 908229715 SIKIQIOBFDKWPA-UHFFFAOYSA-N 316.379 -0.814 30 20 DBED CCOC(=O)C1CCN(C(=O)CN(C)C[C@H](O)CC#N)CC1 929476653 NLLIKROEHHOHSM-CYBMUJFWSA-N 311.382 -0.006 30 20 DBED CN(C(=O)c1ncn(C)n1)[C@H]1CCN(C(=O)C#CC2CC2)C1 937347490 NDUMNWKGAJTGRS-LBPRGKRZSA-N 301.350 -0.099 30 20 DBED CN(C(=O)c1c[nH]c(=O)cn1)[C@@H]1CCN(C(=O)C#CC2CC2)C1 937354550 UOZLCJYUTALECH-GFCCVEGCSA-N 314.345 -0.144 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCCCN1C(=O)C(N)=O 937468698 TZMPATJELZKWRX-AVGNSLFASA-N 323.393 -0.050 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC(=O)N1C 937559279 QFVGEOKDECEOQX-FIQHERPVSA-N 304.350 -0.421 30 20 DBED CC#CCN1CC[C@H](NC(=O)Cn2c(O)nnc2O)[C@@H](C)C1 944347008 NWBNUSFKSFXTRR-QWRGUYRKSA-N 307.354 -0.461 30 20 DBED Cc1nc[nH]c1C(=O)NC[C@@H]1CN(C(=O)[C@H](C)C#N)CCO1 944666380 TXDFJMGBMVLURL-MWLCHTKSSA-N 305.338 -0.165 30 20 DBED C#Cc1ccc(C(=O)NC2CCN(C(=O)CC(N)=O)CC2)cn1 945602429 FCGHJHLHWMTUMR-UHFFFAOYSA-N 314.345 -0.341 30 20 DBED CO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1NC(=O)Cc1cnc[nH]1 946979348 WJBMRMHANZBMNT-YUSALJHKSA-N 305.338 -0.546 30 20 DBED C[C@H]1C[C@@H](NC(=O)c2cnc(O)n(C)c2=O)CCN1CC#N 947602676 MZRVSYTZLCYGCR-UWVGGRQHSA-N 305.338 -0.408 30 20 DBED C[C@H]1C[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)CCN1CC#N 947762861 ZSKGVKBVBJVRMC-QWRGUYRKSA-N 319.365 -0.810 30 20 DBED C#CCN1CC[C@H](NC(=O)CN2C(=O)CN(C)C2=O)C[C@@H]1C 948010394 BGNOPUZKKPIUET-RYUDHWBXSA-N 306.366 -0.517 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]1CNC(=O)c1cccc(C(N)=O)n1 950650519 GGBNPWIIPIVAFB-ZJUUUORDSA-N 315.333 -0.329 30 20 DBED C[C@H](C#N)C(=O)N1CC(N(C)C(=O)[C@H]2CCCN(C(N)=O)C2)C1 954755787 UCTDAQLOWBWLQH-MNOVXSKESA-N 321.381 -0.394 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](CNC(=O)c2cccn3nnnc23)C1 958090976 DHFCYYVBFQJDJW-YPMHNXCESA-N 316.365 -0.277 30 20 DBED C=CCN1C[C@@H](O)[C@H](CNC(=O)c2cccn3nnnc23)C1 958092283 PUNVMILHYCWTBW-ZYHUDNBSSA-N 302.338 -0.667 30 20 DBED C=CCn1cccc1C(=O)NC[C@H]1CN(CC(=O)NC)C[C@H]1O 958138959 JUPNRMBJORTSHB-GXTWGEPZSA-N 320.393 -0.557 30 20 DBED N#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cccc(C(N)=O)c2)C1 958190296 DUFVWAQNGDTIGN-QWHCGFSZSA-N 302.334 -0.668 30 20 DBED N#CCN1C[C@@H](O)[C@@H](CNC(=O)c2ccc3oc(O)nc3n2)C1 958582004 WODGAQUUOIATME-WCBMZHEXSA-N 317.305 -0.526 30 20 DBED CC#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cnn3cc[nH]c23)C1 958619354 ROYUBSVOFROMTP-WCQYABFASA-N 301.350 -0.292 30 20 DBED Cc1ncoc1C(=O)N(C)[C@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1O 958789519 QCBGEARKIAKZFA-MIMYLULJSA-N 306.322 -0.214 30 20 DBED C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1CNC(=O)c1cc(C#N)c[nH]1 959576447 NMZRYJALYBNOAX-PSASIEDQSA-N 303.322 -0.804 30 20 DBED C[C@@H](C(=O)N1C[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2C1)n1cncn1 961408155 PQGWKQWLHUCATN-XQHKEYJVSA-N 316.365 -0.084 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2ccc[nH]2)C1 961516295 RQPUECVURSMFGF-ZZVYKPCYSA-N 319.361 -0.093 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)CC2CCOCC2)C1 961975172 UEVQAHLGBZFABP-UHTWSYAYSA-N 309.366 -0.349 30 20 DBED N#Cc1cc(C(=O)N2CC[C@@H](NCC(=O)N3CCC3)C2)c[nH]1 968447765 NYOSPYJQSIYFBL-GFCCVEGCSA-N 301.350 -0.077 30 20 DBED Cc1nn(C)c(C)c1C(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1O 969198455 ICLCBNYVISAKQZ-AXTRIDKLSA-N 319.365 -0.502 30 20 DBED C#Cc1ccccc1CC(=O)N[C@@H]1CN(C(=O)COC)C[C@@H]1O 969414803 NPVHOOBBIHSXCM-CABCVRRESA-N 316.357 -0.455 30 20 DBED CC#CCN1CCO[C@@]2(CCN(C(=O)[C@H]3CN(C)C(=O)N3)C2)C1 972504564 OQYNTLCRABZROK-CJNGLKHVSA-N 320.393 -0.663 30 20 DBED C#CCN1C[C@@H]2C(CNC(=O)[C@@H]3CCCS(=O)(=O)C3)[C@H]2C1 978830493 VCNHTZKBOPNLLX-MRVWCRGKSA-N 310.419 -0.262 30 20 DBED C#CCN1C[C@@H]2C(CNC(=O)[C@@H]3CCCCN3C(N)=O)[C@H]2C1 978954245 WCMQKFPRALSHEX-MCIONIFRSA-N 304.394 -0.153 30 20 DBED C#CCN1CCCN(C(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)CC1 981154810 XOQISUVJBAYWIP-ZDUSSCGKSA-N 315.377 -0.070 30 20 DBED N#CCN1CCCC2(C1)CN(C(=O)[C@H]1CCS(=O)(=O)N1)C2 982154024 ORGNXVPMLYSKAP-LLVKDONJSA-N 312.395 -0.874 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](CNC(=O)C2CS(=O)(=O)C2)C1 983210758 FHRMYOOJBATTHX-NXEZZACHSA-N 313.379 -0.845 30 20 DBED N#Cc1ccc(C(=O)NC2CN(C(=O)[C@@]34COC[C@@H]3C4)C2)[nH]1 990898620 PQYFLFXLWINPCS-VFZGTOFNSA-N 300.318 -0.137 30 20 DBED C=C[C@@](C)(CC)C(=O)N1CC(NC(=O)C2CC(=O)NC(=O)C2)C1 995680698 ZJPRDUFAHMBSJT-INIZCTEOSA-N 321.377 -0.032 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(NC(=O)c2cnn(C)n2)C1 995702690 SGQVAPPNTVHBCB-YPMHNXCESA-N 319.365 -0.263 30 20 DBED C=CCn1cc(C(=O)N2CCC(N[C@H]3CCNC3=O)CC2)nn1 997076552 YFUONGGYTOULSM-LBPRGKRZSA-N 318.381 -0.453 30 20 DBED C#CCN1CC[C@H](n2cc(CNC(=O)c3ccnn3C)nn2)C1 999969319 APWYHHWNERSFAZ-ZDUSSCGKSA-N 313.365 -0.178 30 20 DBED C[C@H](C#N)C(=O)N1CC(NC(=O)[C@H]2CCc3nnnn3CC2)C1 1000325268 CVKYTEMGAADCBE-ZJUUUORDSA-N 317.353 -0.888 30 20 DBED C#CCCN1CCC(N(C)C(=O)CN2CCC(=O)NC2=O)CC1 1006255578 QATPPJBPKWWMDV-UHFFFAOYSA-N 320.393 -0.126 30 20 DBED CC#CCN1CC[C@H](NC(=O)[C@@H]2CC(=O)N(CCOC)C2)C1 1014639216 XCQCRYYPOASBEO-KGLIPLIRSA-N 307.394 -0.305 30 20 DBED C=C(C)C(C)(C)C(=O)N1CC[C@H]2OCCN(C(=O)C(N)=O)[C@H]2C1 1019907694 GWOGVNPGJTYTNJ-NWDGAFQWSA-N 323.393 -0.098 30 20 DBED CC(=O)N1CCOC[C@@H]1C(=O)N1CCC[C@@H](N(C)CC#N)C1 1027688154 DBSZADFNDJRXGX-ZIAGYGMSSA-N 308.382 -0.320 30 20 DBED C#CCN1CCC(C(=O)NC[C@H]2CCCN2[C@H](C)C(N)=O)CC1 1028333871 RWYITXDRFZCWHW-UKRRQHHQSA-N 320.437 -0.214 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)c3cnccn3)C2)C1=O 1030062650 UVFVPJBXBIGQIV-ZDUSSCGKSA-N 301.350 -0.323 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)c3cncnc3O)C2)C1=O 1030498422 WTTXOCTXIRDBBE-GFCCVEGCSA-N 317.349 -0.617 30 20 DBED C=CCN1CC[C@@H](N2CC(CNC(=O)C3=COCCO3)C2)C1=O 1031529181 FENJWIFVAXZQFB-CYBMUJFWSA-N 321.377 -0.291 30 20 DBED C#CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 1032401001 CCBDFBRMCPOREB-AGIUHOORSA-N 313.361 -0.319 30 20 DBED C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3Cc2nc(O)n[nH]2)nc1 1032738354 YAPGFWKKKNQNBN-RYUDHWBXSA-N 324.344 -0.015 30 20 DBED C=CCCN1CCO[C@@H](CNC(=O)c2nccnc2C(N)=O)C1 1035598531 YNWIXGVLCKKLNL-NSHDSACASA-N 319.365 -0.418 30 20 DBED C=CCN[C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C[C@H]1CC 1037894562 ZIKDMNKRGAFLPD-ZIAGYGMSSA-N 308.426 -0.179 30 20 DBED C#CCOCCC(=O)N1CC[C@](O)(CNC(=O)c2cnco2)C1 1040390449 CSCKGEVDEGZOQC-HNNXBMFYSA-N 321.333 -0.592 30 20 DBED Cc1cc(C(=O)N2CC[C@](O)(CNC(=O)[C@H](C)C#N)C2)n[nH]1 1040759598 BNMKXLAYFLMCOS-OTYXRUKQSA-N 305.338 -0.429 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)C2CC2)C1 1041095936 CUMDKGSTYLAESN-ZDUSSCGKSA-N 305.378 -0.817 30 20 DBED C#CCCCCC(=O)N1CC(O)(CNC(=O)c2cnccn2)C1 1041257338 AQKCSUUOFUCIJX-UHFFFAOYSA-N 316.361 -0.027 30 20 DBED C#Cc1ccc(C(=O)N2CC(O)(CNC(=O)[C@@H](C)OC)C2)cn1 1041760015 ZISYRMLBHMGULM-LLVKDONJSA-N 317.345 -0.599 30 20 DBED C[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1NC(=O)c1ncn(C)n1 1041851988 IUGBBEKHCLDNGY-MWLCHTKSSA-N 312.337 -0.269 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)c2ccccn2)C1 1042035287 KWVJCLWLQHEWMN-UHFFFAOYSA-N 305.334 -0.413 30 20 DBED CN(C(=O)c1cc(C#N)c[nH]1)C1CN(CCN2CCNC2=O)C1 1042589660 KKTRUJBHLGXWQX-UHFFFAOYSA-N 316.365 -0.332 30 20 DBED CCOCCCC(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042958116 FGLLNXRXHIBVSN-UHFFFAOYSA-N 308.378 -0.094 30 20 DBED C=CCCOCC(=O)N1CC(O)(CNC(=O)c2nc(C)c[nH]2)C1 1043225710 BZHCJLUPTNEZTF-UHFFFAOYSA-N 322.365 -0.386 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)Cc2cn(C)nc2C)C1 1043535561 DYPZZFVPDDWNKK-UHFFFAOYSA-N 320.393 -0.073 30 20 DBED N#Cc1cccnc1N1C[C@H]2[C@@H](C1)OCCN2C(=O)CC(N)=O 1043685850 XFMFFVURTJRZMW-NWDGAFQWSA-N 315.333 -0.755 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)[C@]3(F)CCOC3)C2)nn1 1044426108 JVPNFXGAOUKHMG-SUNKGSAMSA-N 321.312 -0.857 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)c2ccnn2C)C1 1044484746 QHJYBIMNEBVORH-UHFFFAOYSA-N 306.366 -0.065 30 20 DBED C#CCN[C@@H]1CCN(C(=O)Cn2nc(C)n(C)c2=O)[C@@H](C)C1 1044835967 HZJSGCSPIOWCCB-WCQYABFASA-N 305.382 -0.507 30 20 DBED C=CCCCC(=O)NCC1(O)CN(C(=O)C(=O)NCC2CC2)C1 1045454769 ARGPNTNRJZKRRS-UHFFFAOYSA-N 323.393 -0.442 30 20 DBED C#CCNC(=O)CC(=O)N1CC(O)(CNC(=O)[C@@H](C)C(C)C)C1 1046949651 BJVRKRPNXQSDPB-LBPRGKRZSA-N 323.393 -0.893 30 20 DBED N#Cc1ccc(N[C@H]2C[C@H](CNC(=O)[C@H]3CNC(=O)N3)C2)cn1 1047009092 AZRVWLXPMOAZMO-OASPWFOLSA-N 314.349 -0.059 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)Cn2c(C)csc2=O)C1 1047624203 IHGCGIZZJZJIQB-STQMWFEESA-N 323.418 -0.255 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)n2cncn2)C1 1048702314 SKABVRVLCJUIKJ-AVGNSLFASA-N 321.381 -0.165 30 20 DBED C=CCCCC(=O)N(C)[C@H]1CN(C(=O)CNC(N)=O)C[C@@H]1O 1049349078 JPEXSOMLINWNBP-QWRGUYRKSA-N 312.370 -0.959 30 20 DBED N#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1ccc(O)nc1=O 1049581340 YZGUQEFOYHGDJX-NWDGAFQWSA-N 317.349 -0.462 30 20 DBED C#CCN1C[C@@H]2CCCN(C(=O)[C@H]3CCS(=O)(=O)N3)[C@@H]2C1 1050204586 FPHSULATTCKBDW-YNEHKIRRSA-N 311.407 -0.766 30 20 DBED CC(=O)NCC(=O)N[C@@H](C)[C@H]1CCN(C(=O)C#CC2CC2)C1 1050665414 JKVFZMHHZMAEPW-FZMZJTMJSA-N 305.378 -0.111 30 20 DBED C[C@@H]1[C@@H](NC(=O)[C@@H]2CNC(=O)N2)CCN1c1ccncc1C#N 1050951644 DRVYTYXOVUGNPG-USWWRNFRSA-N 314.349 -0.282 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)[C@H]1CCCS1(=O)=O 1051256620 ZUCNKIQQUNTPOV-NWDGAFQWSA-N 300.380 -0.986 30 20 DBED C#CCN1CCN([C@@H]2CCN(C(=O)c3ccnn3C)C2)CC1 1051996867 WSKCSJHOUARMPD-CQSZACIVSA-N 301.394 -0.115 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)C1CN(C(C)=O)C1)CCO2 1053233799 HMKOWEGVYOCGSG-UHFFFAOYSA-N 305.378 -0.599 30 20 DBED C=CCCN1CC2(C[C@H](NC(=O)C3CC(=O)NC(=O)C3)CO2)C1 1053955326 IFJIJQMKPQBVPQ-LBPRGKRZSA-N 321.377 -0.425 30 20 DBED N#Cc1nccc(N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)Cn2cncn2)n1 1055021724 XBGFSCYASCUKKO-WOPDTQHZSA-N 324.348 -0.134 30 20 DBED N#Cc1cccnc1N1CCN(C(=O)CCn2cnnn2)CC1 1055882629 FWUNUSHKQNZWNZ-UHFFFAOYSA-N 312.337 -0.321 30 20 DBED C=CCOCC(=O)N1CC[C@H]2[C@H]1CCCN2C(=O)CNC(C)=O 1056196167 ZBAZARSMYDFXMX-KGLIPLIRSA-N 323.393 -0.083 30 20 DBED N#Cc1cncc(N[C@@H]2CCN(C(=O)[C@H]3CCCNC3=O)C2)n1 1056721202 CQVABPGKFGLAJL-PWSUYJOCSA-N 314.349 -0.113 30 20 DBED C=C[C@](C)(O)CC(=O)N(CCO)CCNC(=O)C[C@H](C)OC 1057450621 VMURFFAMBAVARQ-WFASDCNBSA-N 316.398 -0.324 30 20 DBED Cc1c[nH]nc1C(=O)NCCN(CCO)C(=O)C#CC(C)C 1057517267 NUOVISJROWOZPI-UHFFFAOYSA-N 306.366 -0.072 30 20 DBED N#Cc1ccc(N[C@H]2CCCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)nn1 1057760508 UNZMYMVSKIRQET-TUAOUCFPSA-N 314.349 -0.127 30 20 DBED C=CCOCC(=O)NC[C@@H]1COCCN1C(=O)COC(C)C 1061421205 KQZOQCJFWKXXNW-CYBMUJFWSA-N 314.382 -0.042 30 20 DBED C=CCOCC(=O)NC[C@H]1COCCN1C(=O)c1ccon1 1061421849 VWPQRLJRXVDWQB-NSHDSACASA-N 309.322 -0.166 30 20 DBED CCNC(=O)CCC(=O)N1CCOC[C@@H]1CNC(=O)[C@H](C)C#N 1061848304 XYUNTRHTWSKZHV-NEPJUHHUSA-N 324.381 -0.594 30 20 DBED C[C@@H](Nc1cncc(C#N)n1)C1CCN(C(=O)C(N)=O)CC1 1061874676 HVRBKPNIEBVIGF-SECBINFHSA-N 302.338 -0.127 30 20 DBED C#CCOCCC(=O)NCC1(NC(=O)c2ncn(C)n2)CCC1 1063038299 ALBDXJNJFZDCIZ-UHFFFAOYSA-N 319.365 -0.376 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(NC(=O)[C@H]2COC(=O)N2)CCC1 1063041674 BIGAGAMWJKFWJA-GHMZBOCLSA-N 323.349 -0.712 30 20 DBED C[C@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1Nc1ncccc1C#N 1067149943 YUXHKOYRXYAFMX-JQWIXIFHSA-N 312.337 -0.101 30 20 DBED N#Cc1nccnc1N1C[C@@H](O)[C@@H](CNC(=O)c2cccnc2)C1 1067642808 LDAHNFQISRUABB-GXTWGEPZSA-N 324.344 -0.030 30 20 DBED N#Cc1nccnc1NCC1CC(NC(=O)[C@H]2CCNC2=O)C1 1067876730 WHZRKJHSVKTTMP-ILDUYXDCSA-N 314.349 -0.209 30 20 DBED N#Cc1ccc(NC[C@H]2C[C@H](NC(=O)[C@H]3CNC(=O)N3)C2)nn1 1068572710 CWSXBURRGAKSCN-FBIMIBRVSA-N 315.337 -0.664 30 20 DBED C=CCCC(=O)N1CC2(C[C@@H](NC(=O)CC(=O)NC)CO2)C1 1068826590 JMARJMAHVYJDRZ-LLVKDONJSA-N 309.366 -0.425 30 20 DBED N#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2cnsn2)C1 1069900104 NWXWEAHWNSECNB-ZJUUUORDSA-N 304.339 -0.692 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCC[C@@H](NC(=O)[C@@H]2CCC(=O)N2)C1 1070672254 CAWLZOLPJMZDKL-WQGACYEGSA-N 323.393 -0.301 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)Cc4n[nH]c(C)n4)C[C@@]3(C1)O2 1070798581 VTCBEGPVBOLVQW-XJKCOSOUSA-N 315.377 -0.409 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)[C@H]4CCCC(=O)N4)C[C@@]3(C1)O2 1070814786 JRJXOGFAGFOAFE-ZOMKSWQUSA-N 317.389 -0.410 30 20 DBED COC[C@@H](C)N1CCNC(=O)CCN(C(=O)[C@H](C)C#N)CC1 1070948149 APXZPVSTVFTBCT-CHWSQXEVSA-N 310.398 -0.169 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)c2cnc(C)n2C)CC1 1070992439 IQIGJDBAVGIYFF-UHFFFAOYSA-N 317.393 -0.374 30 20 DBED COCC(=O)N(C)CC(=O)N[C@@H]1CCCN(C(=O)[C@H](C)C#N)C1 1071229337 NIOXPAMRXKRNPZ-VXGBXAGGSA-N 324.381 -0.642 30 20 DBED C=CCOCC(=O)N[C@H]1CN(C(=O)c2nccnc2N)C[C@H]1C 1071834424 XSEBQHOPWACLLL-MNOVXSKESA-N 319.365 -0.162 30 20 DBED CC#CCN1C[C@H](NC(=O)CN2CC(=O)NC2=O)CC[C@H]1C 1071901798 XGCUKDLCKVXJML-VXGBXAGGSA-N 306.366 -0.469 30 20 DBED CNC(=O)CC(=O)N[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C 1071919038 VYYNQFNFRWBWNQ-SKDRFNHKSA-N 317.349 -0.401 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H](C)[C@@H](NC(=O)C2(C)CC2)C1 1071943677 QCUQLUYRDPSURH-RYUDHWBXSA-N 305.378 -0.111 30 20 DBED C[C@@H](C(N)=O)N1CCC2(CN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1072595301 MMTTWJOLFOXBHB-JTQLQIEISA-N 301.350 -0.092 30 20 DBED C=CCCC(=O)N1CCN(C2CN(C(=O)CNC(C)=O)C2)CC1 1073546423 BCVNYYXIMBIBBW-UHFFFAOYSA-N 322.409 -0.556 30 20 DBED C#CCCN1CCCO[C@@H](CNC(=O)[C@@H]2COCCN2CC)C1 1073665324 WUWNVJSPSFZBAS-HOTGVXAUSA-N 323.437 -0.063 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)c2ccc(C(N)=O)o2)C1 1073687148 KPFRXJTYCGMGDW-NSHDSACASA-N 305.334 -0.168 30 20 DBED C[C@H]1CN(C(=O)C#CC2CC2)CC[C@@H]1NC(=O)CNC(N)=O 1073704588 JXMFCLBPMBALMH-JQWIXIFHSA-N 306.366 -0.579 30 20 DBED CC(C)C#CC(=O)N[C@H]1CCN(C(=O)Cn2ncnn2)C[C@@H]1C 1073941569 SXOYWDGQXTWOPA-STQMWFEESA-N 318.381 -0.314 30 20 DBED Cn1ncc(C(=O)N2CC[C@@H]3OCCN(CC#N)[C@@H]3C2)c1N 1074222823 NSLWBHNDGLMBBV-NEPJUHHUSA-N 304.354 -0.559 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)C1=CCOCC1 1076246400 QYKMHEBGDGMZNC-LBPRGKRZSA-N 321.377 -0.516 30 20 DBED C#CCCCC(=O)NCC[C@H](C)NC(=O)[C@@H]1CN(C)C(=O)N1 1076303748 HZHIYBUNCULDTK-RYUDHWBXSA-N 308.382 -0.176 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H](C)CCNC(=O)Cn1ccnc1 1077185448 BXGFENIORAJNSB-QWHCGFSZSA-N 306.366 -0.068 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC(=O)N(CCC)C2)C1 1077756580 DUBANWMRKLINDM-MGPQQGTHSA-N 307.394 -0.571 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nc[nH]n3)cc2)C1 1077941505 SNBRGOGYOUJRBJ-ZIAGYGMSSA-N 311.345 -0.120 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H](N(C)C(=O)CNC(N)=O)CC1 1078814726 DDYZOQXGAKLVFP-WDEREUQCSA-N 309.370 -0.346 30 20 DBED C#CCNC(=O)CC(=O)N1CC(N(CC)C(=O)[C@H]2C[C@H]2C)C1 1079243462 BRVHUJOMNVNTCE-YPMHNXCESA-N 305.378 -0.159 30 20 DBED C#CCNC(=O)CC(=O)N1CC(N(CC)C(=O)COCC=C)C1 1079490690 ZYJAEYOHLFHFLG-UHFFFAOYSA-N 321.377 -0.612 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)C2=CCOCC2)C[C@@H]1O 1081463324 LLUJZJDXIPGHAE-GJZGRUSLSA-N 320.389 -0.072 30 20 DBED N#CCSCC(=O)N1C[C@H](CNC(=O)c2cnco2)[C@@H](O)C1 1081622721 ASMXSMQAVKLQJY-UWVGGRQHSA-N 324.362 -0.520 30 20 DBED C#CCN1C[C@@H](NC(=O)c2c(O)nnc(C)c2C)[C@H](OC)C1 1082010598 QCFMRQQKWPSVOE-VXGBXAGGSA-N 304.350 -0.139 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CCn1cnccc1=O 1083234922 CJZRKNWTABJGJI-UONOGXRCSA-N 316.361 -0.822 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCn3ccnc3C2)C1 1083583608 LJSRIWDVPOMIKV-MCIONIFRSA-N 302.378 -0.370 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2cnc3[nH]c(O)nc3c2)C1 1083588561 QEZTWOCUWBTKBC-MNOVXSKESA-N 301.306 -0.928 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCC(=O)NC2)C1 1083593277 IXZMCUPLYHTXDX-MXWKQRLJSA-N 301.774 -0.574 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCn3c(cnc3C)C2)C1 1083781244 ZMAZWZMRACXUPL-IMJJTQAJSA-N 316.405 -0.061 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2ccc(-c3nc[nH]n3)cc2)C1 1083915467 SNBRGOGYOUJRBJ-KGLIPLIRSA-N 311.345 -0.120 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2nc(C)c(C)[nH]c2=O)[C@@H](O)C1 1090358114 JJIWJZLCQUWHPY-STQMWFEESA-N 318.377 -0.425 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2ccc(=O)n(CC)n2)[C@@H](O)C1 1090655073 OSFXNHJGGYBXLU-OCCSQVGLSA-N 318.377 -0.549 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2cccc(C(N)=O)n2)[C@H](O)C1 1090838265 CNHUHYJVZBGNRJ-SMDDNHRTSA-N 316.361 -0.631 30 20 DBED COCCCC(=O)N[C@H]1CCN(c2cnc(C#N)cn2)C[C@H]1O 1092136104 DISIVQWNIDZNBH-QWHCGFSZSA-N 319.365 -0.169 30 20 DBED CNC(=O)CC(=O)N[C@H]1CCN(c2ccc(C#N)nc2)C[C@@H]1O 1092147983 LRRPZHMKQPITCI-STQMWFEESA-N 317.349 -0.855 30 20 DBED CN1C(=O)CN(CC(=O)N2C[C@H]3CN(CC#N)C[C@@]3(C)C2)C1=O 1092195198 IHVUZEORJSJJBP-ABAIWWIYSA-N 319.365 -0.816 30 20 DBED CCc1nc(C#N)cc(NCCNC(=O)[C@H]2COC(=O)N2)n1 1093577474 GFDIJNXRCXDDJK-SECBINFHSA-N 304.310 -0.453 30 20 DBED CCCN1C[C@@H](C(=O)NCCN=c2cc[nH]c(C#N)n2)CC1=O 1094168122 UFWWWHJIVOQXMH-NSHDSACASA-N 316.365 -0.443 30 20 DBED N#Cc1nccnc1NCCNC(=O)c1cnc2[nH]nnc2c1 1094211374 BZDADNWZCRMHKU-UHFFFAOYSA-N 309.293 -0.144 30 20 DBED N#Cc1nc(=NCCCNC(=O)[C@H]2CC[C@H]2C(N)=O)cc[nH]1 1094702992 GZDCYBDQXWDHHU-ZJUUUORDSA-N 302.338 -0.800 30 20 DBED CC#CCN1CC(N2C[C@@H](NC(=O)c3cnn(C)c3)CC2=O)C1 1094703489 MELJAJPDSLQNMV-ZDUSSCGKSA-N 315.377 -0.542 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)c3cc(C)n(C)n3)CC2=O)C1 1094713990 NLFFWBTWFFLLGD-LBPRGKRZSA-N 317.393 -0.071 30 20 DBED C[C@H](NC(N)=O)C(=O)N1CC[C@@H](Nc2nccnc2C#N)C1 1095028672 KCAHWKPHBBBJMB-DTWKUNHWSA-N 303.326 -0.582 30 20 DBED N#Cc1ccc(N[C@@H]2CCN(C(=O)C(=O)NCC3CC3)C2)nn1 1095053873 IICACMFHZPSAGL-GFCCVEGCSA-N 314.349 -0.113 30 20 DBED CN(CCCNC(=O)C[C@H]1CCNC1=O)c1ccnc(C#N)n1 1095654927 MWHGLFQUYQTTCU-LLVKDONJSA-N 316.365 -0.183 30 20 DBED Cc1cc(C#N)nc(N(CCCNC(=O)C(N)=O)C2CC2)n1 1096074366 CZCVMEOQYJIKCS-UHFFFAOYSA-N 302.338 -0.383 30 20 DBED CNC(=O)CCCC(=O)N[C@@H]1CCN(c2cncc(C#N)n2)C1 1096363412 WADITCOFUZSLQL-LLVKDONJSA-N 316.365 -0.041 30 20 DBED CS(=O)(=O)CCC(=O)N1CC[C@H](Nc2cncc(C#N)n2)C1 1096983012 SXFQEZABQVTVAK-JTQLQIEISA-N 323.378 -0.204 30 20 DBED CC#CCN(CCO)C1CCN(C(=O)C[C@H]2CCNC2=O)CC1 1098390718 WPDIVFCRPHWHIA-CQSZACIVSA-N 321.421 -0.179 30 20 DBED N#CCN(CCO)C1CCN(C(=O)C[C@H]2CCC(=O)NC2)CC1 1098391681 GQYHNQPHVNMGLY-CYBMUJFWSA-N 322.409 -0.288 30 20 DBED C#CCNCc1cn([C@H]2CCN(C(=O)[C@H]3CCOC3)C2)nn1 1098633967 NTOZIWJAKCJXAL-JSGCOSHPSA-N 303.366 -0.189 30 20 DBED Cn1nncc1CN1CC[C@@H](NC(=O)CSCC#N)[C@H](O)C1 1099690638 RTYJHKKPSRKAJG-VXGBXAGGSA-N 324.410 -0.877 30 20 DBED COCC1(C(=O)N[C@@H]2CCN(CC#N)C[C@@H]2O)CCOCC1 1099865697 BWVZMCGSGKMCFY-OLZOCXBDSA-N 311.382 -0.495 30 20 DBED C=CCCN1CC[C@H](NC(=O)C(C)(C)S(C)(=O)=O)[C@H](O)C1 1100022018 GCMMMYPSGOLOML-NWDGAFQWSA-N 318.439 -0.063 30 20 DBED C#CCN1CC[C@@H](NC(=O)CC(=O)NCC(F)(F)F)[C@H](O)C1 1100055496 DLBNWBYGCHLILK-NXEZZACHSA-N 321.299 -0.760 30 20 DBED C#CCN1CC[C@H](NC(=O)CNC(=O)c2ccccc2)[C@@H](O)C1 1100083441 SIRSCMHWJRNSDZ-GJZGRUSLSA-N 315.373 -0.399 30 20 DBED C#CCN1CC[C@H](NC(=O)CNC(=O)c2ccco2)[C@@H](O)C1 1100097041 QULGRROJTRJLIQ-RYUDHWBXSA-N 305.334 -0.806 30 20 DBED C=C(Cl)CN1CC[C@H](NC(=O)CCCC(N)=O)[C@@H](O)C1 1100143194 PIVZMSFQFZAVCL-QWRGUYRKSA-N 303.790 -0.054 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)C[C@@](C)(O)C=C)C1 1100285718 QZIIONYDSWNLLF-ZUEPYMLJSA-N 307.394 -0.453 30 20 DBED C#CCOCCC(=O)NCC1CC(N[C@@H]2CCN(C)C2=O)C1 1100322692 RBMUULGSWPRCBF-JXQTWKCFSA-N 307.394 -0.259 30 20 DBED CN(C)C(=O)CC(=O)NC[C@@H]1CCCN1c1ccnc(C#N)n1 1100913557 LHKLJTZCCGJHIK-NSHDSACASA-N 316.365 -0.088 30 20 DBED CCC(=O)NCC(=O)NC[C@@H]1CCN(c2cncc(C#N)n2)C1 1100952360 XBYRBHMBZOHLEQ-NSHDSACASA-N 316.365 -0.183 30 20 DBED CN(CCNc1cnc(C#N)cn1)C(=O)CCc1nc[nH]n1 1101553189 HEFUQMZEHHNJCB-UHFFFAOYSA-N 300.326 -0.031 30 20 DBED COc1nn(C)cc1C(=O)N(C)CCN=c1cc[nH]c(C#N)n1 1101890107 IRMNJSDFMFOBQA-UHFFFAOYSA-N 315.337 -0.304 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H]1CN([C@H](CC)C(N)=O)C[C@H]1C 1101900084 HTXDQPVWQXOQQQ-JHJVBQTASA-N 322.409 -0.926 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1CCNC(=O)c1nccnc1C(N)=O 1103706960 VMWWLNHKHNTXSE-GHMZBOCLSA-N 316.365 -0.213 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H](C)CNc1nccn2nnnc12 1104089475 JLYZVVCMMAMYHZ-GHMZBOCLSA-N 317.353 -0.278 30 20 DBED Cc1cc(N2CCO[C@H](CNC(=O)CC(N)=O)C2)c(C#N)cn1 1104305113 HYSJSQAPTWGOES-GFCCVEGCSA-N 317.349 -0.542 30 20 DBED CC(C)[C@H](CNC(=O)Cn1ncnn1)Nc1cncc(C#N)n1 1105235255 XQMGPVHVQOMNPM-NSHDSACASA-N 315.341 -0.412 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)CC2(O)CCC2)nn1 1105810833 ZAKXXLDEGHDVKZ-LLVKDONJSA-N 305.338 -0.458 30 20 DBED Cn1nncc1C(=O)NC[C@@H](O)CNc1ccc(C#N)cn1 1105833756 QKBUZEUPZZXNFE-JTQLQIEISA-N 301.310 -0.715 30 20 DBED N#Cc1cncc(NC[C@@H](O)CNC(=O)Cn2ccnc2)n1 1105881811 AEZKXTISCPRUFO-LLVKDONJSA-N 301.310 -0.866 30 20 DBED Cc1cncn1CC(=O)NC[C@@H](O)CN=c1cc[nH]cc1C#N 1106026695 PEZJTXIBCCRNRK-ZDUSSCGKSA-N 314.349 -0.531 30 20 DBED C[C@@H](CCNc1nccnc1C#N)NC(=O)Cn1cnnn1 1106192791 JLAXANNREUPJQI-VIFPVBQESA-N 301.314 -0.658 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)C[C@@H]2CCNC2=O)C[C@H]1C 1106243221 ZUGUUVPPTFESTI-QLFBSQMISA-N 321.421 -0.154 30 20 DBED CCN(CCN=c1cc[nH]cc1C#N)C(=O)[C@H]1CCNC1=O 1106909325 IBMJSKDGYSJZIS-LBPRGKRZSA-N 301.350 -0.228 30 20 DBED C#CCO[C@@H](C)C(=O)NC/C=C/CNc1nccn2nnnc12 1107347071 YJPVLWCFCZCJMM-ZWNMCFTASA-N 315.337 -0.358 30 20 DBED C[C@H](CNc1cncc(C#N)n1)NC(=O)[C@H]1COCCN1C 1107694513 RQCDRZNRSDJRBR-ZYHUDNBSSA-N 304.354 -0.405 30 20 DBED C=CCNC(=O)CN1CCO[C@@](C)(CNC(=O)[C@@H](C)C#N)C1 1107819428 PBLVYYCZAQSXED-WFASDCNBSA-N 308.382 -0.345 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)CCc2cnn(C)n2)C1 1108220129 MSYPMCAUQGRKSK-HNNXBMFYSA-N 305.382 -0.412 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)CS(=O)(=O)C(C)C)C1 1108404559 DFHBBOVPQIGQTA-CQSZACIVSA-N 316.423 -0.350 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)CNC(=O)[C@@H](C)CC)C1 1108405014 QKUNNEMWZNBFLY-BBRMVZONSA-N 309.410 -0.011 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)C[C@@H]1CCC(=O)N1C 1108634282 MYJQMJNRIYRHGD-QWRGUYRKSA-N 316.365 -0.302 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)c1cn(C)c(O)n1 1108674736 WFLQPHWSFDWXNG-QMMMGPOBSA-N 301.310 -0.560 30 20 DBED C[C@@H](CN=c1cc[nH]cc1C#N)NC(=O)CN1CCCNC1=O 1108788681 KIMURTUTUJUABY-NSHDSACASA-N 316.365 -0.293 30 20 DBED C=CCN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CS(=O)(=O)NC)C2 1108823184 IFFNYQWXABGTSC-SRVKXCTJSA-N 301.412 -0.309 30 20 DBED C[C@@H](CN(C)c1cnc(C#N)cn1)NC(=O)c1cnn(C)c1N 1108933158 KXOFDPRHDBWFLJ-VIFPVBQESA-N 314.353 -0.081 30 20 DBED N#Cc1ccc(NC[C@H](NC(=O)[C@@H]2COC(=O)N2)C2CC2)nn1 1109832497 HOVISQMDFKSRHK-QWRGUYRKSA-N 316.321 -0.237 30 20 DBED COCC(=O)N[C@@]1(CO)CCCN(c2ccnc(C#N)n2)C1 1111335976 DZVBTIABNZUIGH-AWEZNQCLSA-N 305.338 -0.558 30 20 DBED Cn1nncc1C(=O)N(CCO)CCNc1ccc(C#N)nc1 1111459933 LAWMWSNEFUHGJL-UHFFFAOYSA-N 315.337 -0.372 30 20 DBED N#Cc1c[nH]ccc1=NCCN(CCO)C(=O)Cn1ccnc1 1111486948 OAIRXYFLOLOYHW-UHFFFAOYSA-N 314.349 -0.495 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CCCN(c2cnc(C#N)cn2)CC1 1111965190 UDKBOFLCALDLQG-GFCCVEGCSA-N 316.365 -0.041 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1112720333 ILPIUQMETKGLOB-STQMWFEESA-N 313.361 -0.079 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)[C@H]2OCCO[C@H]2C)CC1 1112978649 PPHJZSUHTDIMFI-RDBSUJKOSA-N 323.393 -0.928 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)CN2CC[C@H](C)C2)CC1 1113345647 APVZLZHHGPGCMV-LSDHHAIUSA-N 320.437 -0.390 30 20 DBED CNC(=O)NCCC(=O)NC[C@H](C)N(C)c1cnc(C#N)cn1 1113597115 MJPGIASPAHQYAW-JTQLQIEISA-N 319.369 -0.392 30 20 DBED CC(=O)NCC(=O)N1C[C@H]2CC[C@H]1CN2c1nccnc1C#N 1114379372 MAOYMFKWNYTELG-NWDGAFQWSA-N 314.349 -0.336 30 20 DBED C#CCCN1C[C@@H]2C(NC(=O)CCCn3c(O)nnc3O)[C@H]2C1 1114494030 RIVHOKWZWHZCPI-QWRGUYRKSA-N 319.365 -0.461 30 20 DBED COCC#CCN1C[C@@H]2C(NC(=O)[C@@H]3CCCN3C(N)=O)[C@H]2C1 1115346173 SLCRSNZATXFUON-AVGNSLFASA-N 320.393 -0.774 30 20 DBED C#CCCNC1(CNC(=O)CN2CCNC(=O)C2)CCCCC1 1115663058 CSLRLLRGYLFYCC-UHFFFAOYSA-N 320.437 -0.150 30 20 DBED N#CCN1CCC(NC(=O)NC[C@@H](CO)[C@H]2CCOC2)CC1 1116898226 IXGCNXNHWMYYQX-STQMWFEESA-N 310.398 -0.081 30 20 DBED COCC[C@@](C)(C#N)NC(=O)CCN1CCCS1(=O)=O 1117521614 NDXDLOGJFNBWHP-LBPRGKRZSA-N 303.384 -0.153 30 20 DBED C[C@H](CN(C)C(=O)[C@@H]1CNC(=O)N1)Nc1nccnc1C#N 1120634655 NXBIDTUAXYKZPI-SCZZXKLOSA-N 303.326 -0.712 30 20 DBED C[C@@H](CN(C)C(=O)[C@@]1(C)CCNC1=O)N=c1cc[nH]c(C#N)n1 1120662448 VSBPCFQOINTXOD-BONVTDFDSA-N 316.365 -0.445 30 20 DBED Cc1cnc(C(=O)NC[C@@H](CO)N=c2cc[nH]cc2C#N)cn1 1121150542 NBSUTIZISMNSMG-LBPRGKRZSA-N 312.333 -0.324 30 20 DBED Cc1cc(C#N)nc(N[C@@H](CO)CNC(=O)c2cnon2)n1 1121881595 IXKNEDVLKGPAAT-SECBINFHSA-N 303.282 -0.758 30 20 DBED C[C@@H](CC(=O)NC[C@@H](CO)Nc1ncccc1C#N)NC(N)=O 1122071575 RBBDUENEVPXEFD-ONGXEEELSA-N 320.353 -0.711 30 20 DBED Cc1cc(=N[C@@H](CO)CNC(=O)[C@@H](C)CC(N)=O)c(C#N)c[nH]1 1122357693 WQWCPPGVLXAGKO-JOYOIKCWSA-N 319.365 -0.916 30 20 DBED Cc1cc(=N[C@@H](CO)CNC(=O)Cc2cnc[nH]2)c(C#N)c[nH]1 1122623129 RXGKRFNYUHSCQR-CYBMUJFWSA-N 314.349 -0.462 30 20 DBED CN(C[C@H](O)CNc1ccc(C#N)nn1)C(=O)c1nc[nH]n1 1124460551 OLVHGTBRRQBWGY-SECBINFHSA-N 302.298 -0.989 30 20 DBED CN(C[C@@H](O)CN(C)c1cnc(C#N)cn1)C(=O)c1ccon1 1124982133 OEFIIRMXVAOIFM-NSHDSACASA-N 316.321 -0.094 30 20 DBED C=CCOCC(=O)N1C[C@H](n2ccnn2)[C@H](NC[C@H](C)O)C1 1129681329 OWWQPWCBMADKBH-XQQFMLRXSA-N 309.370 -0.797 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)c1cncnc1O 1130076932 IVLHJZGAQADEAC-UHFFFAOYSA-N 320.353 -0.736 30 20 DBED C#CCN1C[C@@H](NC(=O)CCNS(C)(=O)=O)CC[C@@H]1C 1132076768 DCFUEWSUDFTNSW-RYUDHWBXSA-N 301.412 -0.472 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1c(O)nnc(C)c1C 1132189814 ZZOIGNSYVPDFEW-UHFFFAOYSA-N 307.354 -0.579 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)Cn2cnnn2)CC[C@H]1C 1132618326 SXSBCYDVHKHUIU-ZIAGYGMSSA-N 320.397 -0.603 30 20 DBED C#CCNC[C@@H]1CN(C(=O)CNS(=O)(=O)CC)CC[C@H]1C 1132864904 FEYFDFFRGMECFZ-CHWSQXEVSA-N 315.439 -0.367 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)CN2CCNC(=O)C2)CC[C@@H]1C 1133032355 YVNWXWZWBYHRIA-LSDHHAIUSA-N 320.437 -0.484 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)c1c(C)ncn1C 1134652073 FGEMAWYMRDCULH-VXGBXAGGSA-N 319.409 -0.036 30 20 DBED C=CCn1cc(C(=O)NCCNCC(=O)N[C@H](C)CC)nn1 1134969488 HNTUHVWPXJXITG-LLVKDONJSA-N 308.386 -0.302 30 20 DBED COCC#CCN[C@H](C)C[C@H](C)NC(=O)c1cn(C)c(=O)cn1 1135044765 ZUQVYFPITIMGNX-OLZOCXBDSA-N 320.393 -0.083 30 20 DBED Cc1nccc(C(=O)N[C@H](C)C[C@@H](C)NCC(=O)NCC#N)n1 1146383329 HZCPKLJKQKHYLW-GHMZBOCLSA-N 318.381 -0.089 30 20 DBED CC#CCN1CCCO[C@H](CNC(=O)CCc2nc[nH]n2)C1 1149504092 FNGWYWAIECZLLV-CYBMUJFWSA-N 305.382 -0.032 30 20 DBED CC#CCN1CCCO[C@H](CNC(=O)C[C@@H](C)NC(N)=O)C1 1149722023 VKPWYAILAKULOZ-CHWSQXEVSA-N 310.398 -0.336 30 20 DBED C#CCN1CCC(CCOC)(NC(=O)c2nnn(C)n2)CC1 1151241673 CTNNZQOROJNITR-UHFFFAOYSA-N 306.370 -0.556 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)CCc2cnn(C)c2)C1=O 1152208833 UCHFDKRAYJRZIG-AWEZNQCLSA-N 319.409 -0.155 30 20 DBED C#CCNC(=O)CC(=O)NCCCNCc1nc(C2CC2)n[nH]1 1156847735 GJOMVYCOTIXZKG-UHFFFAOYSA-N 318.381 -0.583 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)Cc1cncnc1 1157225768 AGYJCTKKLVNFDI-GFCCVEGCSA-N 303.366 -0.747 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)CN(C)C(=O)C1CC1 1159218751 XMYYJZZOGDFUBL-GFCCVEGCSA-N 322.409 -0.911 30 20 DBED Cn1nc(C(=O)NCCCNCC(=O)NCC#N)cc1C1CC1 1159413629 DLZQPCCVDYHTMG-UHFFFAOYSA-N 318.381 -0.353 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)c1snnc1CC 1162011986 AWEXYYYLLVUNGY-JTQLQIEISA-N 323.422 -0.052 30 20 DBED Cn1c(O)ncc(C(=O)NCCC2(CNCC#N)CC2)c1=O 1166524952 BBMWDMXSUKSDBT-UHFFFAOYSA-N 305.338 -0.501 30 20 DBED COCC#CCNCCCC[C@H](C)NC(=O)[C@@H]1CNC(=O)N1 1174972907 XQXLCHMNMKAQAC-STQMWFEESA-N 310.398 -0.418 30 20 DBED N#CCN1CCO[C@@H]2CCN(C(=O)CCCn3cncn3)C[C@@H]21 1177126422 ZFRGBSRUQKBFDK-UONOGXRCSA-N 318.381 -0.116 30 20 DBED COCC#CCN[C@H]1CCN(C(=O)CCc2cnn[nH]2)[C@H]1C 1179557089 DJHYENRMKXLEJJ-JSGCOSHPSA-N 305.382 -0.034 30 20 DBED C#CCNC[C@@H]1CCN(C(=O)CCNC(=O)COC)C[C@@H]1C 1184524644 SQHRSOZBXYRINW-KBPBESRZSA-N 309.410 -0.154 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC[C@@H](NCC(=O)NC)C1 1186095931 FCPUMATZTQERMM-CHWSQXEVSA-N 310.398 -0.606 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2ccc(C#C)nc2)C1 1187207756 FXNOEHVXULINOQ-OAHLLOKOSA-N 310.357 -0.384 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)[C@@H]2CCCNC2=O)C1 1190788777 MBFHCOJCWVDWQF-CHWSQXEVSA-N 322.409 -0.653 30 20 DBED C#CCCCC(=O)N[C@@H]1CN([C@@H](C)c2nnnn2C)C[C@H]1O 1192503992 SOMDTAQXUSELJZ-QJPTWQEYSA-N 306.370 -0.764 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(Cc2ncc(C)cn2)C[C@H]1O 1192529161 BPMIDPWAAAQMDU-IOASZLSFSA-N 320.393 -0.227 30 20 DBED CC(C)CC1(C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@H]2O)CC1 1193647419 YGKPIUFMDPUFME-CHWSQXEVSA-N 322.409 -0.386 30 20 DBED C=CCOCCN(C)[C@H]1CCN(C(=O)C[C@H]2CC(=O)NC2=O)C1 1194543705 GVBWHCXNKIJWSH-OLZOCXBDSA-N 323.393 -0.226 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCCN(C(=O)[C@@H](C)CC(N)=O)CC1 1196771124 SJBCBAZHZRSEHV-QWHCGFSZSA-N 324.425 -0.277 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)COCc2nncn2C)C1 1197359697 VXBUWKOGLSDHCC-CHWSQXEVSA-N 323.397 -0.541 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(CCc2ccnn2C)C[C@H]1O 1199292060 APJLVQYFXUJXLZ-HUUCEWRRSA-N 322.409 -0.283 30 20 DBED COC(=O)[C@@H]1C[C@H]1C(=O)N1CCC(NCC(=O)NCC#N)CC1 1199667287 IETLRFZLVTYBPP-VXGBXAGGSA-N 322.365 -0.984 30 20 DBED C[C@H](C#N)C(=O)N1CCC(NCCNS(C)(=O)=O)CC1 1199815890 FSZONXTUJYIMJM-SNVBAGLBSA-N 302.400 -0.724 30 20 DBED C=C(C)CCNC[C@H]1CN(C(=O)[C@@H]2CNC(=O)N2)CCCO1 1201269564 RLZHTUFGGBFBFR-STQMWFEESA-N 310.398 -0.159 30 20 DBED Cn1ncc(CCC(=O)N2CCCO[C@H](CNCC#N)C2)n1 1201422204 ZIRWCRXRFDUPNL-CYBMUJFWSA-N 306.370 -0.522 30 20 DBED Cn1cc(C(=O)N2CCC(CNCC(=O)NCC#N)CC2)cn1 1204410669 JOZPEIYGPSZACS-UHFFFAOYSA-N 318.381 -0.498 30 20 DBED COC[C@H](O)CN1C[C@@H](NC(=O)CSCC#N)[C@H](C)C1 1206089935 HSEDIQDJDVUNHR-IJLUTSLNSA-N 301.412 -0.313 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)C[C@](C)(O)C2CC2)[C@H](C)C1 1206883701 MHQLXWAWTLBACQ-MRRJBJDNSA-N 321.421 -0.277 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)CC(C)(C)O)[C@H](C)C1 1206920139 BSLUEFCDXOZWCY-FRRDWIJNSA-N 309.410 -0.278 30 20 DBED COCC#CCN[C@H]1CCCN(C(=O)[C@H]2CN(C)C(=O)N2)C1 1208962587 OIRBLLMSEOUCNJ-QWHCGFSZSA-N 308.382 -0.760 30 20 DBED C#CCN1C[C@@H](NC(=O)CCNC(=O)[C@@H]2CCCO2)[C@H](C)C1 1211465710 LUVHGZLYFCFZNP-MCIONIFRSA-N 307.394 -0.259 30 20 DBED C=CCCC(=O)N1C[C@@H](NCC(=O)N2CCNC(=O)C2)[C@H](C)C1 1214303814 ASVIKINXCABYOK-CHWSQXEVSA-N 322.409 -0.653 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1C 1215907476 AEGPORXLGVGRPV-NTZNESFSSA-N 318.381 -0.997 30 20 DBED C[C@@H]1CN(C(=O)c2ccncn2)C[C@H]1NCC(=O)NCC#N 1216005981 SVKSHJOEQJGJMM-ZYHUDNBSSA-N 302.338 -0.834 30 20 DBED CC/C(C)=C/C(=O)N1CCO[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1217805652 AVBWTFWBUBZKRR-AMNUONFKSA-N 320.393 -0.106 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CNC(=O)C(C)(C)C 1219030357 SEZWOGZXCSKVRS-QWHCGFSZSA-N 307.394 -0.307 30 20 DBED COc1nscc1CN1C[C@H](O)[C@H](NC(=O)[C@H](C)C#N)C1 1219381674 ZKUWFVRSGLDTHE-IEBDPFPHSA-N 310.379 -0.027 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)c2cnc(OC)nc2)C1 1220673209 QTCMCEAPTVFMCL-OLZOCXBDSA-N 322.365 -0.537 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3cc(C)on3)[C@@H]2C1 1221243835 SIJAGHDYOJGNCD-TZMCWYRMSA-N 316.361 -0.121 30 20 DBED C#CCN1CCC(CNC(=O)CNS(=O)(=O)CC)CC1 1223373644 AOFOBCITZYPMRZ-UHFFFAOYSA-N 301.412 -0.613 30 20 DBED COCCS(=O)(=O)CC(=O)NCC1CCN(CC#N)CC1 1223628371 QXQBXAPEKPRHMA-UHFFFAOYSA-N 317.411 -0.601 30 20 DBED C#CCN1CCC(C(=O)N(CC(N)=O)C2CCOCC2)CC1 1262192888 UIMXSRVRBVQNQZ-UHFFFAOYSA-N 307.394 -0.176 30 20 DBED C=CCNC(=O)c1ccc(N(C)CCNS(C)(=O)=O)nc1 1318565975 FREZUGRRVNDFEY-UHFFFAOYSA-N 312.395 -0.017 30 20 DBED Cc1nn(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c(=O)c(C#N)c1C 1319152561 MNSPXVJLSHDXEP-LLVKDONJSA-N 318.293 -0.102 30 20 DBED N#CCn1cc(NC(=O)C(=O)N2CCC[C@@H](CCO)C2)cn1 1319440060 WRQMMKVPPDJSKK-NSHDSACASA-N 305.338 -0.034 30 20 DBED C[C@@](C#N)(NC(=O)CN1C(=O)NC2(CCOCC2)C1=O)C1CC1 1321487741 JGLOEJXOZCHRLQ-AWEZNQCLSA-N 320.349 -0.104 30 20 DBED C#CCOCCNC(=O)C(=O)NC[C@@]1(N(C)C)CCSC1 1325593629 CVJABPKTPOWPFA-AWEZNQCLSA-N 313.423 -0.694 30 20 DBED CCOC(=O)Cn1cnc(NC(=O)C(=O)N(C)[C@H](C)CC#N)n1 1325947262 DALJVIBUBKWYRS-SECBINFHSA-N 322.325 -0.460 30 20 DBED COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)C1 1326168492 LPFDLTRPRROLRJ-IRCOFANPSA-N 323.349 -0.823 30 20 DBED Cc1cc(NC(=O)C(=O)NCCCOCCO)ncc1C#N 1326781931 PPOHMPHAKXZIMW-UHFFFAOYSA-N 306.322 -0.285 30 20 DBED COCC1(O)CCN(C(=O)C(=O)Nc2cccc(C#N)n2)CC1 1328224845 VIOFFGALFYHCLH-UHFFFAOYSA-N 318.333 -0.108 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N1C[C@@H](C)O[C@@H](COC)C1 1328441420 XSDYOHBAWVBINB-ZIAGYGMSSA-N 306.362 -0.266 30 20 DBED N#CCCN1CCN(C(=O)C(=O)N2CCC[C@@H]2CCO)CC1 1329493678 HVSCJHDOSLBPQY-CYBMUJFWSA-N 308.382 -0.582 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N[C@H](C)c1nnnn1C1CC1 1329816480 NVIYDNPJCOPURC-SNVBAGLBSA-N 322.369 -0.154 30 20 DBED N#Cc1ccc(CNC(=O)C(=O)NC[C@H]2COCCN2)cc1 1331581454 CEXBVKJLOZZNHE-ZDUSSCGKSA-N 302.334 -0.721 30 20 DBED O=C(NCCN/C(O)=C1\N=CC=CC1=O)NCCN1CCC1 1335448637 JGMULYIPBYBXFW-OUKQBFOZSA-N 307.354 -0.482 30 20 DBED C=CCn1c(-c2cnn[nH]2)nnc1N1CCN(C(C)=O)CC1 1339640252 VXVFFOKTXQIFAV-UHFFFAOYSA-N 302.342 -0.082 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)NCc2cccc3c2OCO3)CCO1 1340830156 DNHFXAUUBOUGCZ-NSHDSACASA-N 317.301 -0.218 30 20 DBED C#CCCCCC(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 1341693212 VNHRXCKVZXZSLF-LBPRGKRZSA-N 314.407 -0.010 30 20 DBED CNC(=O)C[C@H](C)NC(=O)C(=O)Nc1cc(C)c(C#N)cn1 1346456959 DKVOTVCJXIRXQF-VIFPVBQESA-N 303.322 -0.159 30 20 DBED C=C[C@H]1CCCCN1C(=O)C(=O)NCCCS(=O)(=O)NC 1349507453 CUDYPHIXRMZGKY-NSHDSACASA-N 317.411 -0.391 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)NCC2SCCS2)CCO1 1350206227 YWCVWBUHBBAIHJ-MRVPVSSYSA-N 301.393 -0.340 30 20 DBED C#Cc1ccc(C(=O)NCCc2nnc3n2CCNC3=O)cc1 1350453021 VYWKMHGPCZUHDT-UHFFFAOYSA-N 309.329 -0.025 30 20 DBED N#Cc1cn(CC(=O)NCc2nccn2C(F)F)c(=O)nc1O 1361921553 GCCKLTWAUZNHOG-UHFFFAOYSA-N 324.247 -0.271 30 20 DBED N#Cc1ccc(S(=O)(=O)CCN2C[C@@H](O)[C@H](CO)C2)nc1 1364417204 MMVWGQQYTGJQFT-NWDGAFQWSA-N 311.363 -0.988 30 20 DBED CSCC[C@H](NC(N)=O)C(=O)N1CCN(CCC#N)CC1 1364497656 UJWWNIUTSVBTJZ-NSHDSACASA-N 313.427 -0.166 30 20 DBED Cn1cc(C#N)c(NC(=O)N2CC[C@H]3OCC(=O)N[C@@H]3C2)n1 1365041619 XSBOPBLWEJFRSF-NXEZZACHSA-N 304.310 -0.587 30 20 DBED CC(=O)NC1CCN(C(=O)NCCn2cnc(C#N)n2)CC1 1369785166 PBAALLFBYUCEGL-UHFFFAOYSA-N 305.342 -0.540 30 20 DBED CN1CCO[C@@H](C(=O)N(C)CCNC(=O)c2cc(C#N)c[nH]2)C1 1386839391 NDMPBJDAWPVRHQ-CYBMUJFWSA-N 319.365 -0.595 30 20 DBED C[C@H](CNC(=O)CN1CCOCC1)NC(=O)c1c[nH]c(C#N)c1 1399941446 UQHNTJYGQSVNNU-LLVKDONJSA-N 319.365 -0.547 30 20 DBED CC[C@@H](CNC(=O)c1cn(C)c(=O)nc1O)NC(=O)[C@@H](C)C#N 1409312418 REBOOCCLNPEMGB-IUCAKERBSA-N 321.337 -0.730 30 20 DBED N#Cc1cccc(CC(=O)N2CCN(CC(N)=O)C(=O)C2)c1 1412216335 SOIZQTYCDSBMTP-UHFFFAOYSA-N 300.318 -0.743 30 20 DBED COC[C@@H](C)C(=O)NCCN1CCN(C(=O)[C@@H](C)C#N)CC1 1414744257 ABNVLWXAUIICSJ-QWHCGFSZSA-N 310.398 -0.311 30 20 DBED COc1c[nH]c(C(=O)N[C@@H](C)CNC(=O)[C@H](C)C#N)cc1=O 1415256649 JRLPIPNBFIRELC-BDAKNGLRSA-N 306.322 -0.222 30 20 DBED CCc1nc(C#N)cc(N(C)CCNC(=O)c2cnn(C)n2)n1 1418029045 SFUDYSRRPDSYAG-UHFFFAOYSA-N 314.353 -0.095 30 20 DBED CCN(CCNC(=O)[C@H](C)C#N)C(=O)c1ccc(=O)n(C)n1 1431689936 ZXWHIOBXSQYAKK-SNVBAGLBSA-N 305.338 -0.482 30 20 DBED C=C(Cl)CN1CC(CNC(=O)CS(=O)(=O)CCOC)C1 1438137262 SADFPXQGPDDULX-UHFFFAOYSA-N 324.830 -0.152 30 20 DBED CCn1cc(C(=O)N(C)C[C@H](O)CNC(=O)[C@H](C)C#N)nn1 1444735983 JGPCHFYGQSKCLS-NXEZZACHSA-N 308.342 -0.993 30 20 DBED C[C@H]1OCC[C@@]1(C)NC(=O)CCn1cc(C#N)c(O)nc1=O 1447594843 RMBJGWGAQXBQIC-YMTOWFKASA-N 306.322 -0.106 30 20 DBED CCCS(=O)(=O)CC(=O)NC[C@@H](C)CNC(=O)[C@H](C)C#N 1451595053 YTFARVWALLVRJG-GHMZBOCLSA-N 317.411 -0.161 30 20 DBED N#Cc1cn(CCNC(=O)[C@@H]2C[C@@]23CCOC3)c(=O)nc1O 1453844986 RUQHSXPFOURONL-IINYFYTJSA-N 304.306 -0.637 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)c2cc3n(n2)CCO3)CC1 1506191235 KLSPOBLHMVMCJS-VIFPVBQESA-N 303.322 -0.186 30 20 DBED CO[C@@H](C(=O)N(C)CCNC(=O)[C@@H](C)C#N)c1cnn(C)c1 1528596966 PJZVBBZCCKCWLQ-CMPLNLGQSA-N 307.354 -0.158 30 20 DBED CC(C)N1CC[C@@H](Nc2cnc(-c3nn[nH]n3)c(C#N)n2)C1=O 1574283318 GFLZLFGCNQMTEC-MRVPVSSYSA-N 313.325 -0.050 30 20 DBED CC#CC[C@@H](N)C(=O)Nc1ccccc1C(=O)NCCC(N)=O 1574969773 MGYSGLNFRFPZHJ-GFCCVEGCSA-N 316.361 -0.029 30 20 DBED COC(=O)[C@@H]1CC[C@H](S(=O)(=O)N[C@@H]2CNC[C@@H]2C#N)C1 1578832339 KBXCXRUSZCMIEM-VPOLOUISSA-N 301.368 -0.641 30 20 DBED COC(=O)[C@H]1CCN(c2cnc(-c3nn[nH]n3)c(C#N)n2)[C@H]1C 1579442154 BHGIWRAJKRSJSP-YUMQZZPRSA-N 314.309 -0.084 30 20 DBED Cc1ccc(Cn2c(=O)c(-c3nn[nH]n3)cn(C)c2=O)cc1C#N 1581202088 IHBZUHZHJQLMJQ-UHFFFAOYSA-N 323.316 -0.045 30 20 DBED Cn1nncc1C1(O)CN(c2c(C#N)cccc2-c2nn[nH]n2)C1 1581849774 BXTOCBWGMMTWNH-UHFFFAOYSA-N 323.320 -0.425 30 20 DBED N#Cc1ncn(CCNC(=O)Cc2ccc(-c3nn[nH]n3)nc2)n1 1581885971 SRHLEUFQJZXEAJ-UHFFFAOYSA-N 324.308 -0.916 30 20 DBED C#CC(=O)N[C@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)C1=O 1588324782 IUWOQDKABBLZGE-LBPRGKRZSA-N 310.317 -0.283 30 20 DBED C#CC[C@@H](NC(=O)CCN/C(O)=C1/N=CC=CC1=O)C(=O)O 1588405546 RHGSFNJIGVOKBO-MMZVIXLHSA-N 305.290 -0.504 30 20 DBED C#CCn1cc(CNC(=O)Cn2cccc(C(=O)O)c2=O)cn1 1588509397 BWOZNNVYVKRLKS-UHFFFAOYSA-N 314.301 -0.307 30 20 DBED N#C[C@H](NC(=O)C1(C(=O)O)CCS(=O)(=O)CC1)C1CC1 1594602302 VRICFHXGNYRVLE-VIFPVBQESA-N 300.336 -0.316 30 20 DBED N#CC1(C[C@H](O)CN2CCS(=O)(=O)C[C@@H]2C(=O)O)CCC1 1594603883 KBIOINSAYKTMNP-WDEREUQCSA-N 316.379 -0.385 30 20 DBED COC(=O)[C@@H]1CN([C@H](C)C(=O)NC2(C#N)CCC2)C[C@@H]1C(=O)O 1598816453 CDDJYBFNUYKRJN-OUAUKWLOSA-N 323.349 -0.257 30 20 DBED Cc1c(C#N)c(=O)n(CC(=O)NCCC(=O)O)c(=O)n1C1CC1 1599974159 NIYJVTZUIAMGAK-UHFFFAOYSA-N 320.305 -0.884 30 20 DBED N#CC1(CS(=O)(=O)N2C[C@H](O)C[C@@H](C(=O)O)C2)CCC1 1601057627 DOFAGIJMJDNCII-NXEZZACHSA-N 302.352 -0.223 30 20 DBED N#CCN1CCC(NC(=O)C(=O)N2CCC[C@H]2CC(=O)O)CC1 1601073465 WTKWSPDABDYMQT-LBPRGKRZSA-N 322.365 -0.444 30 20 DBED C#CCN1CCC[C@H](NS(=O)(=O)N2CCC[C@H]2C(=O)O)C1 1602702829 SFIIFDACEUDRBG-RYUDHWBXSA-N 315.395 -0.533 30 20 DBED N#Cc1cn(C2CN(c3ccc(C(=O)O)nn3)C2)c(=O)nc1O 1608223198 QOBDIPRMJJOJDY-UHFFFAOYSA-N 314.261 -0.630 30 20 DBED COCCn1c(CC(C)(C)O)nnc1N1CCO[C@H](C#N)C1 1646800845 RSHBDRKJRIOQHK-LLVKDONJSA-N 309.370 -0.033 30 20 DBED Cc1onc(CC(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)c1C#N 1647252053 DNLUSWRSRZCFRY-SECBINFHSA-N 312.351 -0.453 30 20 DBED CC(=O)N1CCN(C(=O)[C@@H](C)N2CC[C@](O)(CC#N)C2)CC1 1649847445 UCNWNWDCTYSFIA-IUODEOHRSA-N 308.382 -0.584 30 20 DBED C=CCN1CC[C@H](N[C@H](C)CCNC(=O)c2ncn(C)n2)C1=O 1753004754 MSJFEVWMZCZPJS-NEPJUHHUSA-N 320.397 -0.300 30 20 DBED C=CCn1cc(C(=O)NCC[C@@H](C)N[C@@H]2CCCNC2=O)nn1 1753015638 RKQOECBLHXSONU-VXGBXAGGSA-N 320.397 -0.159 30 20 DBED CN(CCNCC(=O)NCC#N)C(=O)c1n[nH]c2c1CCCC2 1753207951 FZRCIVKHZYPMIM-UHFFFAOYSA-N 318.381 -0.410 30 20 DBED C=CCN1CC[C@H](NCCN(C)C(=O)Cc2cncn2C)C1=O 1753252208 OUKCPPXBIULPFA-AWEZNQCLSA-N 319.409 -0.203 30 20 DBED N#CCNC(=O)CN1[C@H]2CC[C@H]1CN(C(=O)C1=COCCC1)C2 1753303813 JXOWZCKQSZMKRG-KBPBESRZSA-N 318.377 -0.004 30 20 DBED C#CCCNC[C@@H](O)CNC(=O)Cc1cnn2c1CCCC2 1753913778 KYJKUKQQHJZHAQ-CQSZACIVSA-N 304.394 -0.148 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)C[C@@H](C)NC(=O)c1nccnc1N 1754303787 BMBQHBYHCQPKAX-GHMZBOCLSA-N 318.381 -0.753 30 20 DBED CC(=O)N[C@@H](CC(=O)NCC1(C)CCN(CC#N)CC1)C(N)=O 1754720253 LCSQMPSEXFLDPN-LBPRGKRZSA-N 323.397 -0.892 30 20 DBED CC[C@H](C)NC(=O)CN1CC(O)(CNC(=O)C#CC2CC2)C1 1754768063 YZCQJSHTJHODBV-LBPRGKRZSA-N 307.394 -0.523 30 20 DBED Cc1ncncc1C(=O)N1C[C@H](C)[C@@H](NCC(=O)NCC#N)C1 1755102843 CDDWOBJSBPMHRV-GWCFXTLKSA-N 316.365 -0.525 30 20 DBED C#CCNC(=O)CN[C@H]1CN(C(=O)c2cnnc(C)c2)C[C@H]1C 1755107506 PFCSFBCWYZHKEB-RISCZKNCSA-N 315.377 -0.415 30 20 DBED C#CCNC(=O)CN1CC([C@@H](C)NC(=O)c2csc(O)n2)C1 1755383339 HWYZGABLTYFJNR-SECBINFHSA-N 322.390 -0.352 30 20 DBED C#CCN[C@@H](CO)CNC(=O)c1cn(C)nc1-c1ccco1 1755628089 OPKUFUVBIIMYML-LLVKDONJSA-N 302.334 -0.006 30 20 DBED CC(C)C#CC(=O)N(C)CCOCCNCC(=O)N1CCC1 1755873087 KQJZQDUBODGLAS-UHFFFAOYSA-N 309.410 -0.057 30 20 DBED C#CCNC(=O)CC(=O)NCCCOC1CCN(C(C)=O)CC1 1756098233 PSIJDYWDPCLFOJ-UHFFFAOYSA-N 323.393 -0.340 30 20 DBED C=CCOCC(=O)NC[C@H]1[C@@H]2CN(C(=O)[C@H]3CCC(=O)N3)C[C@H]12 1756194717 JWKRCEPWSKJTGV-FVCCEPFGSA-N 321.377 -0.712 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@H]1[C@@H]2CN(C(=O)CC(=O)NC)C[C@H]12 1756197775 ABFGHYAATOPKBZ-OVZMXSCWSA-N 323.393 -0.730 30 20 DBED C#CCOCCC(=O)N1C[C@H]2C(CNC(=O)c3nc[nH]n3)[C@@H]2C1 1756206643 NJAUUTHGJGKFRL-RYUDHWBXSA-N 317.349 -0.721 30 20 DBED C[C@H](CN(C)C(=O)c1cc(C#N)c[nH]1)NC(=O)C(C)(C)C(N)=O 1756440758 FVVRTTCDCXPDKP-SECBINFHSA-N 319.365 -0.025 30 20 DBED C#CCOCCC(=O)N(C)C[C@@H](C)NC(=O)Cc1nonc1C 1756452594 AESZBMRRVCJLBT-LLVKDONJSA-N 322.365 -0.076 30 20 DBED C[C@H]1C[C@@H](NC(=O)CNC(N)=O)CN1C(=O)C#CC(C)(C)C 1756589396 DOVUXOHCKCGRRY-WDEREUQCSA-N 308.382 -0.190 30 20 DBED C=CCO[C@@H](C)C(=O)NC[C@@H](O)CN(C)C(=O)c1ccncn1 1756676523 IYMBJXFWCCIIGR-NWDGAFQWSA-N 322.365 -0.383 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C[C@H]1O 1756993876 SLUAARKTJMAQOR-RYPNDVFKSA-N 320.389 -0.099 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H](C)NC(C)=O)C1 1757309250 IIWTYSOFJYKJPT-WVWOOGAGSA-N 323.393 -0.440 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#C)C[C@@H]21 1784483387 VKAQQDGGOXJVBH-AJNGGQMLSA-N 318.373 -0.362 30 20 DBED CC(=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)C#N 1792630059 LCKQAKDEIZDABP-ZSBIGDGJSA-N 307.350 -0.285 30 20 DBED N#CCCC(=O)N1CC2(CCCN2C(=O)Cn2ccnn2)C1 1843101528 LNBSIQQLSDXFJT-UHFFFAOYSA-N 302.338 -0.215 30 20 DBED C[C@H](S)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CNC(=O)O1 1847852266 XEEHGUMKOFBHFX-XKNYDFJKSA-N 313.379 -0.385 30 20 DBED N#CCOC(=O)[C@H](CCC(N)=O)N1C(=O)c2ccccc2C1=O 1569471 KQTBUOPGMKXBRG-NSHDSACASA-N 315.285 -0.017 30 20 DBED C#CCNC(=O)COC(=O)Cn1cnc2c(C)cccc2c1=O 18401970 IIVGRDICSGZXDJ-UHFFFAOYSA-N 313.313 -0.002 30 20 DBED C[C@@H](OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(N)=O 22613071 DDOXFMHEYLXUQN-MRVPVSSYSA-N 311.319 -0.746 30 20 DBED C#CCN1CCC(C(=O)NCCC(=O)N2CCOCC2)CC1 57154219 YNXVOHUDJIRPOO-UHFFFAOYSA-N 307.394 -0.303 30 20 DBED C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N(C)[C@H](C)CC#N 87298522 YWRAZNYQYVAQKR-NXEZZACHSA-N 313.383 -0.153 30 20 DBED COCCN(CC(=O)OC)S(=O)(=O)c1ccc(C#N)nc1 264994505 XQETVUUKYJCCPC-UHFFFAOYSA-N 313.335 -0.237 30 20 DBED COC(=O)c1coc(S(=O)(=O)N2CCO[C@@H](C#N)C2)c1 270001671 JLHPEMGLBWDPMK-VIFPVBQESA-N 300.292 -0.021 30 20 DBED C=CCS(=O)(=O)CCNC(=O)[C@@H]1CC(=O)N(CCOC)C1 272898711 UUSHKSJKTSBCFB-LLVKDONJSA-N 318.395 -0.802 30 20 DBED C=CCNC(=O)CNC(=O)[C@@](C)(O)Cn1c(C)cccc1=O 280257455 JJEYIIWQADVRAL-HNNXBMFYSA-N 307.350 -0.674 30 20 DBED C[C@H]1OCC[C@]12CN(c1c(C#N)c(=O)n(C)c(=O)n1C)CCO2 280395624 HYVXQXFJJNXBLK-BMIGLBTASA-N 320.349 -0.660 30 20 DBED C#CCN(C)CCCNC(=O)c1coc(S(=O)(=O)NC)c1 293989941 NVQYCLKIPWVYPI-UHFFFAOYSA-N 313.379 -0.127 30 20 DBED CN1C[C@H](/N=C(/O)N2CCOC[C@H]2c2ncnn2C)CC1=O 328902114 ZZLXNRSVUDWPNW-ZJUUUORDSA-N 308.342 -0.667 30 20 DBED C[C@H](CN1CCN(C)CC1)N/C(O)=N/CC(=O)N1CCCC1 329190053 RTFLZKGUYLVLEL-CYBMUJFWSA-N 311.430 -0.252 30 20 DBED CC/N=C(/O)CN1CCCN(C(=O)Cn2cnnc2O)CC1 329596735 PFQAIIIRVOZVHH-UHFFFAOYSA-N 310.358 -0.506 30 20 DBED CN(C)C(=O)[C@H]1CC[C@@H](C(O)=Nc2cn(C)c(=O)n(C)c2=O)O1 329624730 GHHYNRRLJFTSMF-VHSXEESVSA-N 324.337 -0.692 30 20 DBED C[C@@H]1C[C@@H](O)CN1/C(O)=N/C[C@H]1CCCN1S(C)(=O)=O 329924116 UWEPYBQXFVKHEN-GMTAPVOTSA-N 305.400 -0.221 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N[C@H](C)CN1CCN(C)CC1 330409218 JYEQRRFZBSKSQT-OLZOCXBDSA-N 317.459 -0.309 30 20 DBED CN1CCO[C@@H]2CN(C(=O)C(=O)Nc3ccc(C#N)cn3)C[C@@H]21 332264426 FCLXUUYECBOEGO-NWDGAFQWSA-N 315.333 -0.567 30 20 DBED C[C@H](O)[C@H]1CCCCN1S(=O)(=O)N1CCO[C@H](C#N)C1 336929552 ANGZAHIXCMHJTN-QJPTWQEYSA-N 303.384 -0.309 30 20 DBED C[C@H](CNC(=O)NCCn1cnc(C#N)n1)Cn1cccn1 344314777 HNCAUFCGPMEDPC-LLVKDONJSA-N 302.342 -0.018 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@@H](CO)[C@@H](C)C2)C1=O 360817755 DRAHHEZUXFQFTE-UWVGGRQHSA-N 309.322 -0.950 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC[C@H](n2cc(C(=O)OC)nn2)C1 371996794 BEKXKBNIYZTGLS-NEPJUHHUSA-N 319.365 -0.161 30 20 DBED COCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H](C)CN 420020666 GDQBTINEGDLAOA-LBPRGKRZSA-N 318.377 -0.003 30 20 DBED C#CCN1CCN(C(=O)CN[C@H]2CCOC[C@@H]2OCC)CC1 491045148 JNKOXKKSYZJZTD-GJZGRUSLSA-N 309.410 -0.453 30 20 DBED C#CCN(CC#N)CCC(=O)N1CCN(c2ncccn2)CC1 491255014 UYNCGLUFIMLIBH-UHFFFAOYSA-N 312.377 -0.026 30 20 DBED CCS(=O)(=O)N1CC(CNC[C@@H](O)CN(C)CCC#N)C1 578741960 PYFGXQVKUMRLNH-CYBMUJFWSA-N 318.443 -0.936 30 20 DBED C[C@H]1OCCN(C(=O)C(=O)NC2CCN(CC#N)CC2)[C@@H]1C 588126028 XWIUQBAYDGRKJO-VXGBXAGGSA-N 308.382 -0.274 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)C(C)(C)NC(C)=O)CC1 588632029 DFISETYMDNCIEV-UHFFFAOYSA-N 310.398 -0.653 30 20 DBED CCN(C[C@H](C)C#N)C(=O)CN1C[C@@H](O)C[C@H](C(=O)OC)C1 592194975 GLFHMZNENAGZTP-AGIUHOORSA-N 311.382 -0.150 30 20 DBED C=CCOC[C@H](NS(=O)(=O)N1CCCOCC1)C(=O)OC 593590716 HWZCELYBUYYMIU-NSHDSACASA-N 322.383 -0.713 30 20 DBED C[C@H]1C[C@H](NC(=O)C(=O)N2CCN(CCC#N)CC2)CCO1 602253797 XEMUZSDBAPAAEK-QWHCGFSZSA-N 308.382 -0.272 30 20 DBED CC#CC[C@H](CO)NC(=O)c1sccc1S(N)(=O)=O 616505230 JRELAYUPBQNLCV-MRVPVSSYSA-N 302.377 -0.100 30 20 DBED C=CCn1cc(C(=O)N(CCN(C)C)CC(=O)N(C)C)nn1 618299835 BVHISZSTRPSXCZ-UHFFFAOYSA-N 308.386 -0.444 30 20 DBED CCOC(=O)C1=C(C(C)=O)[C@@H](c2cn(C)nn2)NC(=S)N1 741650977 NUKZWIGBTYZHOF-SECBINFHSA-N 309.351 -0.260 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)c2coc(C)n2)CC1 776648676 WEKQQNFZEVXYOU-UHFFFAOYSA-N 304.350 -0.120 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](OCCN2CCOCC2)C1 778333522 CCVOEOWVMQWJSV-OAHLLOKOSA-N 310.394 -0.024 30 20 DBED C#CCOCCNC(=O)C(=O)Nc1cnn(CC(F)F)c1 785163810 GXYJCTJIEJPUKZ-UHFFFAOYSA-N 300.265 -0.147 30 20 DBED N#C[C@H]1CN(C(=O)CCn2cnccc2=O)CCN1C1CC1 794325426 CGKKJWVHGQOUJT-ZDUSSCGKSA-N 301.350 -0.168 30 20 DBED C#CCOCCNC(=O)NCC(=O)NCCN1CCCCCC1 814320242 KGUOFNMVITZBDW-UHFFFAOYSA-N 324.425 -0.072 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCc2c(nnn2CCOC)C1 817831868 GSHFHONEMCHYLC-HNNXBMFYSA-N 317.393 -0.093 30 20 DBED N#Cc1cc(-c2nn[nH]n2)c(N)nc1SCc1nn[nH]n1 822818811 GFOIXJFMKBXQFL-UHFFFAOYSA-N 301.299 -0.479 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@@](C)(O)CCC)CC1 831565130 NAWSQRLTBWCDFZ-ZDUSSCGKSA-N 317.411 -0.851 30 20 DBED N#Cc1ccc([C@@H](O)CNC[C@@H](O)CN2CCOCC2)cc1 843060945 SUTLGOTUWWTYIO-CVEARBPZSA-N 305.378 -0.126 30 20 DBED C=CCn1cc(C(=O)N2CCCC[C@@H]2CS(N)(=O)=O)nn1 843830642 KDHKMAJHEHEJQN-SNVBAGLBSA-N 313.383 -0.253 30 20 DBED CC1=C(C(=O)N2CCO[C@@H](C#N)C2)[C@H](C)n2nnnc2N1C 847452521 UAUFARHEINYNJP-UWVGGRQHSA-N 303.326 -0.291 30 20 DBED C#CCSCCNC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1OC 852137811 XKLZUPJXXIVXCX-ZJUUUORDSA-N 306.409 -0.536 30 20 DBED C#CCN(CC(=O)N1C[C@@H](O)[C@@H](CO)C1)C(=O)OC(C)(C)C 854910073 NYNZILUUZCESOO-VXGBXAGGSA-N 312.366 -0.332 30 20 DBED C#CC[C@@H](NC(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1)C(=O)OC 861950196 BUNTXEGKGVOZEA-ZYHUDNBSSA-N 318.333 -0.546 30 20 DBED N#Cc1ccc(CS(=O)(=O)CC(=O)NN2CCOC2=O)cc1 862699624 UHMWCHFIJGNQCE-UHFFFAOYSA-N 323.330 -0.044 30 20 DBED C#C[C@@H](NC(=O)N(CCO)CCOCCO)[C@@H]1CCCO1 875506908 RCZJFGFCCYWPRO-OLZOCXBDSA-N 300.355 -0.820 30 20 DBED C#CCNC(=O)[C@H](C)N1CCc2c(cccc2S(N)(=O)=O)C1 879677624 PYONKALBXKLVBF-NSHDSACASA-N 321.402 -0.170 30 20 DBED N#Cc1ccc(NCCNS(=O)(=O)N2CCOCC2)nc1 917879812 JWLSGXYOIRUSIC-UHFFFAOYSA-N 311.367 -0.468 30 20 DBED C#Cc1cncc(C(=O)N2CC[C@@H](NC(=O)c3cn(C)nn3)C2)c1 940271599 MFGVPNPRHSFPOY-CYBMUJFWSA-N 324.344 -0.164 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C2CN(Cc3cnnn3C)C2)CC1 941349551 YLIAMZWTJGEDOI-GFCCVEGCSA-N 317.397 -0.697 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](NC(=O)c2cccc(=O)n2C)C1 942372546 JXUOMTQPBUEEPM-WDEREUQCSA-N 302.334 -0.124 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCN(C(=O)[C@H]3CNC(=O)N3)CC2)C1 945025799 RYGNPGOBCYURSR-GHMZBOCLSA-N 319.365 -0.722 30 20 DBED C#CCN1CCC(C(=O)N[C@H]2CCN(CC(N)=O)C[C@H]2C)CC1 945180806 LVIKPGAQNPMAJP-HIFRSBDPSA-N 320.437 -0.357 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(CC1)CN([C@H]1CCNC1=O)CCO2 949320547 PIMIVGPVOZVGFW-STQMWFEESA-N 320.393 -0.272 30 20 DBED Cc1c(C(=O)N2CCC3(CC2)CN(CC#N)CCO3)nnn1C 949329458 XOVBYKMYEMZGRW-UHFFFAOYSA-N 318.381 -0.046 30 20 DBED CCN1CCO[C@H](C(=O)NC[C@@H]2CCN2C(=O)C#CC2CC2)C1 950271406 LZJMCSJTBVTIHO-GJZGRUSLSA-N 319.405 -0.162 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]1CNC(=O)c1nnn(C(C)(C)C)n1 950358385 FHAXVEQRJLKOSJ-UWVGGRQHSA-N 319.369 -0.082 30 20 DBED CC#CCN1CC(N(CC)C(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 950962090 XCBYETORBGWGKP-AWEZNQCLSA-N 315.377 -0.079 30 20 DBED CN(C(=O)[C@H]1CCNC1=O)C1CN(C(=O)c2ccc(C#N)[nH]2)C1 954960694 HKSDZOIKZQQKNN-NSHDSACASA-N 315.333 -0.695 30 20 DBED C#CCCN1C[C@H](O)[C@H](CNC(=O)c2cc(CN(C)C)on2)C1 958200053 OGXDQHMCVGTSBH-DOMZBBRYSA-N 320.393 -0.218 30 20 DBED CC#CCN1C[C@H](CNC(=O)c2ccn(CCOC)n2)[C@@H](O)C1 958248056 DQIXLIGDKIPMRA-ZFWWWQNUSA-N 320.393 -0.425 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2ccnc3nc(C)nn23)C1 958587096 GARWUSFLTQJFEP-DGCLKSJQSA-N 314.349 -0.912 30 20 DBED C=C(C)CCN1C[C@H](CNC(=O)c2ccc(=O)n(C)n2)[C@@H](O)C1 958650524 XGPUNIODIOJRRT-JSGCOSHPSA-N 320.393 -0.231 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2noc3c2COCC3)C1 958725005 UYFPCIVLCAUXKO-PWSUYJOCSA-N 305.334 -0.597 30 20 DBED COc1cc(C(=O)N(C)[C@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)on1 958829363 WAAWRDLEZBVFIG-UTLUCORTSA-N 322.321 -0.513 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)Cc1cnoc1 960796483 IXCSEGIYAIADPW-WCFLWFBJSA-N 318.333 -0.185 30 20 DBED Cc1c(C(=O)N2C[C@@H]3CN(C(=O)[C@@H](C)C#N)C[C@@H]3C2)nnn1C 961247214 NUHBDKYSYSICSV-ZMLRMANQSA-N 316.365 -0.186 30 20 DBED C=C(C)CN1C[C@H]2[C@H](NC(=O)c3cc(=O)n4[nH]cnc4n3)[C@H]2C1 962289727 RYSLXCZOUBGEEL-IWIIMEHWSA-N 314.349 -0.346 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)CN1CCOCC1 966402521 SVACNPNGEHWRIL-UKRRQHHQSA-N 319.405 -0.305 30 20 DBED C#Cc1ccc(C(=O)N(CC)C2CN(C(=O)CC(N)=O)C2)nc1 968188981 ZJDWRWKRCQZKQD-UHFFFAOYSA-N 314.345 -0.389 30 20 DBED Cc1nn(CC(=O)N[C@@H]2CN(CC#N)CC[C@@H]2C)c(=O)n1C 968597233 USBOYQCUKNBAQX-CMPLNLGQSA-N 306.370 -0.760 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCCCCN1CC(N)=O 968896344 NPIPWPZGTOQXKA-CABCVRRESA-N 320.437 -0.070 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)c2csc(O)n2)C1 969836235 CRKVKWUSGUPKIE-BHNWBGBOSA-N 310.335 -0.690 30 20 DBED N#CCN1CCO[C@@]2(CCN(C(=O)Cc3cncnc3)C2)C1 972363445 ZVJHZGSKYYUWDA-HNNXBMFYSA-N 301.350 -0.154 30 20 DBED C#CCCN1C[C@H](NC(=O)c2cnc(O)n(C)c2=O)C(C)(C)C1 974922018 MJWXXRZHPGEMJB-LBPRGKRZSA-N 318.377 -0.051 30 20 DBED C#CCCN1C[C@H]2[C@H](CNC(=O)c3nnc(O)nc3O)[C@H]2C1 978417797 VMWLFMSZTARHNQ-OWUUHHOZSA-N 303.322 -0.786 30 20 DBED C#CCN1C[C@H]2C(CNC(=O)c3cccc(C(=O)NC)n3)[C@@H]2C1 979008513 QSBPJVVOZLURFA-STQMWFEESA-N 312.373 -0.018 30 20 DBED C[C@H]1C[C@H](NCC#N)CN1C(=O)CCn1cc[nH]c(=O)c1=O 989561512 FFIQFKKFUXMKIQ-QWRGUYRKSA-N 305.338 -0.971 30 20 DBED C[C@@H]1[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)CCN1C(=O)C#CC1CC1 990017225 PFWZQFXMUAWVQI-XEZLXBQYSA-N 303.362 -0.373 30 20 DBED C=C(C)C(C)(C)C(=O)N1CC(NC(=O)CN2CCOCC2=O)C1 994212656 BOKPBFPICBPHGF-UHFFFAOYSA-N 323.393 -0.226 30 20 DBED C[C@@H](NC(=O)[C@@H]1CC(=O)N(C)C1)C1CN(C(=O)C#CC2CC2)C1 1006236395 YYBOMAVVPMWJDQ-DGCLKSJQSA-N 317.389 -0.159 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@H]1CN2C(=O)c1c[nH]c(=O)cn1 1007489026 IJTCFNQWPTZLDX-GARJFASQSA-N 315.333 -0.255 30 20 DBED CC#CCN1CCC[C@H](NC(=O)CN2C(=O)CN(C)C2=O)C1 1009448788 NEKWGSPIAZXUOZ-LBPRGKRZSA-N 306.366 -0.516 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCCN(C(=O)[C@@H]3CCNC3=O)C2)C1 1010837412 QMQJXPVUSGJXNU-VXGBXAGGSA-N 318.377 -0.267 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C(=O)c2ccc(C(N)=O)o2)CC1 1011744644 DSTIJWPZEOYHKW-VIFPVBQESA-N 304.306 -0.177 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2C[C@@H](C)N(C(=O)COC)C2)nn1 1012181227 USQCPLCEWPZWQM-GHMZBOCLSA-N 307.354 -0.170 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2C(NC(=O)c3cccc(=O)n3C)[C@H]2C1 1013758081 NSDHOQHGDBQQKT-VWYCJHECSA-N 314.345 -0.268 30 20 DBED C#CCN1CC[C@@H](NC(=O)[C@@H]2COCCN2CC(F)F)C1 1015397555 KMRQKAFKNWAOIQ-NEPJUHHUSA-N 301.337 -0.224 30 20 DBED C=CCCn1cc(C(=O)N[C@H]2CCN(CC(=O)NC)C2)nn1 1015817482 HDUWFTHSLZOEAP-NSHDSACASA-N 306.370 -0.596 30 20 DBED C=CCN1CCC2(CC1)C[C@@H]2NC(=O)Cn1ncn(C)c1=O 1016701370 WLNRESCMNFCLSU-LBPRGKRZSA-N 305.382 -0.262 30 20 DBED C[C@H]1CN(C(=O)C#CC2CC2)C[C@@]2(CCN(C(=O)C(N)=O)C2)O1 1017833612 YIWCWIKYLIWKCU-ZBEGNZNMSA-N 319.361 -0.897 30 20 DBED C[C@H]1CC[C@H](NC(=O)C(N)=O)CN1C(=O)c1cc(C#N)c[nH]1 1018373025 RJEKCFPGYXSRLW-WPRPVWTQSA-N 303.322 -0.519 30 20 DBED C=CCn1cc(C(=O)N[C@H]2C[C@H](NCc3ncnn3C)C2)nn1 1020700283 LUJPMWSVFINXDU-XYPYZODXSA-N 316.369 -0.357 30 20 DBED O=C(C#CC1CC1)N1C[C@@H]2CCN(C(=O)Cn3nccn3)[C@@H]2C1 1021767373 XWWVAXLRNKIQGN-UONOGXRCSA-N 313.361 -0.249 30 20 DBED N#Cc1c[nH]c(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cc[nH]n3)C2)c1 1023094541 OWHYKYYOSNHDCS-VXGBXAGGSA-N 314.305 -0.775 30 20 DBED O=C(N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O)c1ccc(O)nc1 1025644292 UXDSYCUFAVZUIF-CHWSQXEVSA-N 315.329 -0.498 30 20 DBED C#CCCN1CC[C@H](CNC(=O)c2cn(CCOC)nn2)C1 1028531282 FFZXQKJFSIVSNE-CYBMUJFWSA-N 305.382 -0.001 30 20 DBED N#CCN1CC[C@@H](CNC(=O)[C@@H]2CCc3nnnn3CC2)C1 1028816330 CCNSTOGSJQRADA-NWDGAFQWSA-N 303.370 -0.413 30 20 DBED C=CCCN1CCCC[C@H](NC(=O)c2cn(CC(N)=O)nn2)C1 1034544359 QNKGPYGWYQFAMD-LBPRGKRZSA-N 320.397 -0.076 30 20 DBED CC#CCN1CCO[C@@H](CNC(=O)[C@@H]2CCS(=O)(=O)C2)C1 1035437764 IEVCUTPWRGBQMS-OLZOCXBDSA-N 314.407 -0.739 30 20 DBED C#CCCN1CCO[C@@H](CNC(=O)[C@H]2CCCCC(=O)N2)C1 1035509761 DNTDKDYTQPGDLX-UONOGXRCSA-N 307.394 -0.115 30 20 DBED C=CCN1CCO[C@@H](CNC(=O)[C@@H]2CCN(C)S2(=O)=O)C1 1035545472 SKWLMESJOFJYTR-RYUDHWBXSA-N 317.411 -0.977 30 20 DBED CC#CCN1CC[C@@H]2CN(C(=O)C3CS(=O)(=O)C3)CC[C@@H]21 1036724113 ACKAAAPAPNPYQG-OCCSQVGLSA-N 310.419 -0.023 30 20 DBED N#Cc1cc(C(=O)NC[C@@H]2CCN2[C@@H]2CCC(=O)NC2=O)c[nH]1 1038175936 WONPRBWRISOXLL-NWDGAFQWSA-N 315.333 -0.504 30 20 DBED C#CCN1CC[C@H]1CNC(=O)[C@@H]1COCCN1CC(F)F 1038552071 GNCZMPQEICNXHN-RYUDHWBXSA-N 301.337 -0.224 30 20 DBED CC(C)C#CC(=O)NC[C@@]1(O)CCN(C(=O)CSCC#N)C1 1039663760 JCAWCSQCLJXGEU-HNNXBMFYSA-N 323.418 -0.018 30 20 DBED COC[C@H](C)C(=O)N1CC[C@](O)(CNC(=O)C#CC2CC2)C1 1039678496 XSKUNAPRNTWVRJ-LRDDRELGSA-N 308.378 -0.238 30 20 DBED Cc1ncn(C)c1C(=O)NC[C@]1(O)CCN(C(=O)[C@H](C)C#N)C1 1040123338 IZRUUJZMMGWBSL-MEBBXXQBSA-N 319.365 -0.419 30 20 DBED Cc1nnsc1C(=O)N1CC[C@](O)(CNC(=O)[C@H](C)C#N)C1 1040763606 QJUZJXGPQQBJFM-OQPBUACISA-N 323.378 -0.301 30 20 DBED C[C@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)c2ccccn2)C1 1040764798 ZFHNFDZTXKKFEE-IAQYHMDHSA-N 302.334 -0.066 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)Cc3cc[nH]n3)C2)cn1 1040970887 SPDNFRYRZKEIQM-ZIAGYGMSSA-N 312.333 -0.415 30 20 DBED C=CCn1cc(C(=O)N2CC(O)(CNC(=O)CC3CC3)C2)nn1 1041131293 NQHKWPISRWGZMH-UHFFFAOYSA-N 319.365 -0.433 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)c3ncccn3)C2)nc1 1041137234 YOJUKVKUEQHPHJ-VXGBXAGGSA-N 310.317 -0.277 30 20 DBED C#CCCN1CC[C@]2(CCN(C(=O)C3CC(=O)NC(=O)C3)C2)C1 1041742141 YSWKDTZALCLSJS-KRWDZBQOSA-N 317.389 -0.013 30 20 DBED N#CCN1CC[C@]2(CCN(C(=O)CC[C@@H]3NC(=O)NC3=O)C2)C1 1041821396 FTDYUDKAEVFDEQ-NHYWBVRUSA-N 319.365 -0.577 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)C2=CCCC2)C1 1042531776 OGFMSNGPTCKYLZ-LBPRGKRZSA-N 306.362 -0.176 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)c2n[nH]cc2C)C1 1042948683 FIDLEGNSOSTLBI-UHFFFAOYSA-N 304.350 -0.175 30 20 DBED C[C@@H]1CN(C(=O)[C@H]2COC(=O)N2)C[C@H]1N=c1cc[nH]cc1C#N 1043154698 GRMFIZAQDOCCOV-OASPWFOLSA-N 315.333 -0.258 30 20 DBED C=CCCOCC(=O)NCC1(O)CN(C(=O)[C@H]2CCCO2)C1 1043565361 MGXJXVOAJQIUPC-GFCCVEGCSA-N 312.366 -0.552 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)c3cnccn3)C2)cn1 1043834866 LVLYMWSODCRTRW-KGLIPLIRSA-N 310.317 -0.277 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)COCCN(C)C)C1 1044000017 BCNJCPNVNMUESU-UHFFFAOYSA-N 313.398 -0.780 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)C[C@@H](C)n2cccn2)C1 1045553003 ZCZTWDZVWWPJIE-NWDGAFQWSA-N 319.365 -0.317 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)c2cc3n(n2)CCC3)C1 1045560528 YEZQZBAZFCRTLI-SNVBAGLBSA-N 317.349 -0.708 30 20 DBED C=CCN1CC[C@@H](N2CCN(C(=O)Cn3cnnn3)CC2)C1 1046000914 BUJRWNBWSHCFET-CYBMUJFWSA-N 305.386 -0.922 30 20 DBED C#CCN1CC[C@H](N2CCN(C(=O)[C@@]3(F)CCOC3)CC2)C1 1046055911 KFGRKGDBYKRYDL-GOEBONIOSA-N 309.385 -0.033 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@@H](N(C)C(=O)c2cn(C)c(O)n2)C1 1047515733 NYBPCLXAZTXQIN-QWRGUYRKSA-N 314.773 -0.005 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC(=O)N(CCC)C2)C1 1047548109 QQHTXICRVRTQQN-IHRRRGAJSA-N 309.410 -0.066 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3nncn3c2)C1 1047564167 LOAWUIJIWUEMGA-KBPBESRZSA-N 313.361 -0.130 30 20 DBED C=C(C)CN1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(C(N)=O)n2)C1 1047643589 PBUIDUKGNDJTGC-KBPBESRZSA-N 318.377 -0.126 30 20 DBED C#CCCCC(=O)N(C)[C@H]1CN(C(=O)c2cnn(C)c2)C[C@@H]1O 1048750305 PIGYYELQOLRALH-KBPBESRZSA-N 318.377 -0.133 30 20 DBED C=C[C@](C)(O)CC(=O)N(C)[C@H]1CN(C(=O)c2cc[nH]c2)C[C@@H]1O 1048761772 HSNMTKFLEXSYAR-XEZPLFJOSA-N 321.377 -0.015 30 20 DBED CC(C)C#CC(=O)N(C)[C@H]1CN(C(=O)c2cncn2C)C[C@@H]1O 1048814062 TUYMWYCYKYMGIL-KBPBESRZSA-N 318.377 -0.277 30 20 DBED COCC1(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)C#N)C2)CC1 1049401085 BBZSUAFJVZQRQL-SRVKXCTJSA-N 309.366 -0.397 30 20 DBED Cc1c[nH]c(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)C#N)C2)n1 1049401514 HDMDMWARZRJZAO-MIMYLULJSA-N 305.338 -0.479 30 20 DBED C=CCOCC(=O)N[C@@H](C)[C@H]1CCN(C(=O)CNC(C)=O)C1 1049828556 MIXCQWSNPUHQME-AAEUAGOBSA-N 311.382 -0.322 30 20 DBED C#CCCCC(=O)N1CC[C@@H]([C@H](C)NC(=O)Cn2ncnn2)C1 1050587375 JWFWJQHWUUXNAO-QWHCGFSZSA-N 318.381 -0.170 30 20 DBED CC#CCN1CCOC[C@H]1CNC(=O)[C@@H]1CC(=O)N(CC)C1 1050945563 RDQDWIQNICKYNC-ZIAGYGMSSA-N 307.394 -0.305 30 20 DBED CN1C(=O)CC[C@@H]1C(=O)N1CC[C@H](N2CCN(CC#N)CC2)C1 1052068250 CTDDNWVKDCHSSA-UONOGXRCSA-N 319.409 -0.651 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)Cc1ccnn1C)CCO2 1053236494 FXHCCKPGWVJHDX-UHFFFAOYSA-N 302.378 -0.101 30 20 DBED C=CCOCCCC(=O)NC[C@H]1CN(C(=O)C(N)=O)C[C@@H]1C 1053315727 BOJKSXOFIRFCSE-RYUDHWBXSA-N 311.382 -0.335 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)[C@@H]3CCC(=O)NC3)CO2)C1 1053856055 ZZMUEYXQXXMQEF-CHWSQXEVSA-N 305.378 -0.505 30 20 DBED C[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1NCCN1C(=O)CNC1=O 1054647446 BXBZJVBPVZVXIU-WCQYABFASA-N 318.377 -0.612 30 20 DBED N#Cc1cnc(N2C[C@H]3[C@H](NC(=O)[C@H]4CCNC4=O)[C@H]3C2)cn1 1056355499 LCLPMOQSEPCMFK-MEWQQHAOSA-N 312.333 -0.965 30 20 DBED N#Cc1nc(=N[C@@H]2CCN(C(=O)[C@@H]3CCNC(=O)C3)C2)cc[nH]1 1056599828 PZYAEKLMLYHKJB-GHMZBOCLSA-N 314.349 -0.691 30 20 DBED N#Cc1nc(=N[C@@H]2CCN(C(=O)c3n[nH]cc3F)C2)cc[nH]1 1056767127 YIQPOCRAOFADQA-MRVPVSSYSA-N 301.285 -0.041 30 20 DBED C=CCCOCC(=O)NCCN(CCO)C(=O)CCOCC 1057185738 XCRZBIWMYCONGA-UHFFFAOYSA-N 316.398 -0.057 30 20 DBED N#Cc1ccc(N2CCC(NC(=O)[C@H]3CCNC3=O)CC2)nn1 1057924812 FYSGYXLWHWLWBR-LBPRGKRZSA-N 314.349 -0.431 30 20 DBED N#Cc1nccc(N2CC[C@@H](NC(=O)C[C@@H]3COC(=O)C3)C2)n1 1058326288 RIAWOAKYEOVTQN-WDEREUQCSA-N 315.333 -0.004 30 20 DBED C=C(C)CCC(=O)NCCN(CCO)C(=O)c1nnn(C)n1 1058421749 FPNOVXZEPBGSIM-UHFFFAOYSA-N 310.358 -0.883 30 20 DBED N#Cc1nccnc1N[C@H]1CCN(C(=O)[C@@H]2COCCO2)C1 1058845923 AEKBALYGQAYIHT-JQWIXIFHSA-N 303.322 -0.224 30 20 DBED N#Cc1nc(=N[C@H]2C[C@H](NC(=O)[C@@H]3CC[C@H]3C(N)=O)C2)cc[nH]1 1059368148 GUJRXGHKZWIYMX-GWOFURMSSA-N 314.349 -0.659 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)Cc1cc[nH]n1 1061458912 TXAVPVYXWJIXSC-JQWIXIFHSA-N 305.338 -0.545 30 20 DBED CC(C)C#CC(=O)N1CCCC[C@@H]1CNC(=O)Cn1cnnn1 1062195992 XKHRVPIIRRWLSY-CYBMUJFWSA-N 318.381 -0.170 30 20 DBED N#Cc1cncc(N2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2COCCO2)n1 1062449151 GEATZQZXTIEPHQ-RWMBFGLXSA-N 315.333 -0.447 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H]1CCCN1C(=O)[C@H]1C[C@H]1C(N)=O 1063559627 ZMORNHVNGQAHEZ-UPJWGTAASA-N 313.361 -0.101 30 20 DBED C=CCCOCC(=O)NC1(CNC(=O)[C@@H]2CNC(=O)N2)CCC1 1064271649 ZNIOLLZKIXAUHY-NSHDSACASA-N 324.381 -0.584 30 20 DBED C=CCO[C@@H](C)C(=O)NC[C@H]1CN(C(=O)COC)CCO1 1064756341 IUOOPYSXCPZAEO-RYUDHWBXSA-N 300.355 -0.433 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CN(C(=O)CNC(=O)C2CC2)CCO1 1064903393 CKJUMTAHZIFICE-PWSUYJOCSA-N 322.365 -0.984 30 20 DBED C=CCOCC(=O)N1CCO[C@H](CNC(=O)c2cc[nH]n2)C1 1064976706 OKJCZTLFPYDIEV-LLVKDONJSA-N 308.338 -0.431 30 20 DBED N#Cc1cncc(NC[C@@H]2CCCN2C(=O)[C@@H]2CNC(=O)N2)n1 1064998493 XYZGVRNQPIIUHQ-QWRGUYRKSA-N 315.337 -0.567 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@H](CNC(=O)CN(C)C2CCC2)C1 1065559366 CBLGILWKOJDHOM-GXTWGEPZSA-N 322.409 -0.026 30 20 DBED N#Cc1ccc(N2CCOC[C@H]2CNC(=O)c2nc[nH]n2)cn1 1066494192 DQFTVKAPEBEKJE-GFCCVEGCSA-N 313.321 -0.293 30 20 DBED C=C[C@@H](CC)CC(=O)N1CC2(CC[C@H](CNC(=O)C(N)=O)O2)C1 1068617609 CLSTXSKINWPLBM-NWDGAFQWSA-N 323.393 -0.050 30 20 DBED C[C@H]1[C@H](Nc2nccnc2C#N)CCN1C(=O)Cn1cnnn1 1068776334 FITDNNAAIDBAGL-VHSXEESVSA-N 313.325 -0.564 30 20 DBED Cc1cc(=N[C@@H]2C[C@@H](C)N(C(=O)CC(N)=O)C2)c(C#N)c[nH]1 1069049835 NPSJEVWXJLQYMD-ZYHUDNBSSA-N 301.350 -0.040 30 20 DBED N#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)C[C@@H]2CCOC2)C1 1069904892 URHGUNKUYFTCBQ-XQQFMLRXSA-N 304.354 -0.430 30 20 DBED C#CCN[C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@@H]1n1ccnn1 1070275373 IXUVUUPKUMYBMY-KFWWJZLASA-N 316.409 -0.405 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)[C@@H]2[C@H]3COC[C@H]32)CC1 1070986897 IRVPSRLJQBVFQK-NHAGDIPZSA-N 305.378 -0.838 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)[C@@H]2CN(C)C[C@H]2C)CC1 1071000368 ZZGFAALDUAHDTO-HUUCEWRRSA-N 320.437 -0.532 30 20 DBED C[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1NC(=O)CNC(N)=O 1071918161 KXQNDUIRDGDMQX-KWQFWETISA-N 318.337 -0.869 30 20 DBED C#CCOCCC(=O)N1C[C@@H](NC(=O)c2nonc2C)[C@H](C)C1 1072094010 NTNUUVMHKOKQEI-ZYHUDNBSSA-N 320.349 -0.005 30 20 DBED C#CCO[C@@H](C)C(=O)NCC[C@H](C)NC(=O)C(C)(C)C(N)=O 1076510236 HGNLKOVLMFXCAQ-QWRGUYRKSA-N 311.382 -0.453 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)c2c[nH]nc2[C@H]2CCOC2)C1 1077457428 OAHVFWNGMJRNKH-IACUBPJLSA-N 318.377 -0.288 30 20 DBED CC(C)(C)N1CC[C@@](F)(C(=O)N[C@@H]2CN(CC#N)C[C@H]2O)C1 1077680767 VYJYODFXXKTSLS-JMSVASOKSA-N 312.389 -0.116 30 20 DBED C=CCOCCCC(=O)N[C@@H](C)CCNC(=O)c1nnn(C)n1 1077877469 OVLQXLYUPHLREO-NSHDSACASA-N 324.385 -0.183 30 20 DBED C[C@@H]1CCc2[nH]nc(C(=O)N[C@@H]3CN(CC#N)C[C@H]3O)c2C1 1077920767 YWWIHDGRSRGXDW-OASPWFOLSA-N 303.366 -0.167 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)C1 1078161047 BJJPWSDVSAKVBS-MRVWCRGKSA-N 320.393 -0.538 30 20 DBED C#CCNC(=O)CC(=O)N1CC(N(CC)C(=O)C(C)(C)F)C1 1079196885 KKBUIKHENHCMTI-UHFFFAOYSA-N 311.357 -0.067 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cc[nH]c2)C1 1081539225 KRTUMRIPBFEBIH-OLZOCXBDSA-N 307.350 -0.234 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H]1CCCCN1C(=O)c1cnn[nH]1 1082160588 NNHDMYQFMYHDMV-NEPJUHHUSA-N 319.365 -0.046 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2cn(C[C@@H]3CCOC3)nn2)C[C@H]1C 1082829577 BCKJUMSKOOFSCU-HZSPNIEDSA-N 317.393 -0.002 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)Cc1nnc(C)o1 1083071910 IBUOJSJAIWIHPC-QWHCGFSZSA-N 304.350 -0.145 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)C[C@H]1CCC(=O)NC1 1083103775 GJYCUPHFBFJDNI-HZSPNIEDSA-N 305.378 -0.553 30 20 DBED COc1coc(C(=O)N2CCO[C@@H]3CN(CC#N)C[C@@H]32)cc1=O 1083143608 RBIXTQDUKVPYBS-GXFFZTMASA-N 319.317 -0.303 30 20 DBED C[C@H](C(=O)N(C)C)N1C[C@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 1083390119 CSRKEDOVDKPNHV-WQAKAFBOSA-N 319.365 -0.862 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)[C@H]2COCCN2CC)C1 1083589442 HWETYCKPNVMSOL-UPJWGTAASA-N 317.817 -0.379 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)c2ccoc2CC(N)=O)C1 1083731688 KNGRZQGLNLDOQM-NEPJUHHUSA-N 307.350 -0.342 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2ccc(N3CCCC3)nc2)C1 1083865177 UIPKUSJCHXEVGK-KGLIPLIRSA-N 315.377 -0.020 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)C[C@@H]2CCCCC(=O)N2)C1 1083996211 NPQNUQNNFKYOEQ-MJBXVCDLSA-N 307.394 -0.380 30 20 DBED C#CCN1CCC(C(=O)N[C@@H]2CN(CC#CC)C[C@@H]2O)CC1 1084087946 JMIFEXQGQHCVPV-CVEARBPZSA-N 303.406 -0.484 30 20 DBED CC#CCN1C[C@H]2CC[C@H]1[C@@H]1CN(C(=O)Cn3cnnn3)C[C@H]21 1087335821 QNBDXFLNEBTIOW-TUVASFSCSA-N 314.393 -0.135 30 20 DBED CC#CCN1CC[C@H](NC(=O)Cn2ncn(C)c2=O)[C@H]1CC 1087632209 QXKMRSNCUJXWER-QWHCGFSZSA-N 305.382 -0.426 30 20 DBED N#CCN1CC[C@H](NC(=O)c2cc3c([nH]2)CCOC3)[C@H](O)C1 1090316132 MOPINBITJJCCHK-GXTWGEPZSA-N 304.350 -0.224 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2cc3c([nH]2)CCOC3)[C@H](O)C1 1090317206 XMFQBMGLQXKDSS-UKRRQHHQSA-N 303.362 -0.114 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2cc(CN(C)C)on2)[C@H](O)C1 1090382391 QZDCAUXZEJKXON-DZGCQCFKSA-N 320.393 -0.076 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2cnn3cccnc23)[C@H](O)C1 1090478864 IGJWIUHCUWCYHY-VXGBXAGGSA-N 300.322 -0.582 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2c(C)ncnc2O)[C@H](O)C1 1090516497 XYAFBNLVTOTXKL-VXGBXAGGSA-N 304.350 -0.321 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2cnn3c2CCCC3)[C@H](O)C1 1090699399 CCXBYFZOYYVMCY-TZMCWYRMSA-N 303.366 -0.092 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(c2cnc(F)cn2)C[C@H]1C 1090702903 VNYQZDGYDMURMT-GHMZBOCLSA-N 319.340 -0.304 30 20 DBED C#CCOc1ncccc1C(=O)N[C@@H]1CCN(CC#N)C[C@H]1O 1090735969 GCUPCTJZEZOVKZ-ZIAGYGMSSA-N 314.345 -0.218 30 20 DBED C[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1NC(=O)CC(=O)N(C)C 1090833498 UDVZYFYVMCBODE-ZYHUDNBSSA-N 316.365 -0.233 30 20 DBED COCc1nc(C(=O)N[C@@H]2CCN(CC#N)C[C@H]2O)cs1 1090844435 QAHCQOLNHHMNHW-MWLCHTKSSA-N 310.379 -0.022 30 20 DBED CCO[C@@H](CC)C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1091078285 JXZVIHUHLJDBLK-AGIUHOORSA-N 319.365 -0.171 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1091153122 RZBSJMOXCHXNIO-RTXFEEFZSA-N 315.333 -0.948 30 20 DBED N#Cc1cncc(N[C@H]2C[C@@H](CNC(=O)Cn3cncn3)C2)n1 1091345145 TXKHWNYAFQOGBU-PHIMTYICSA-N 312.337 -0.053 30 20 DBED COCCN1C[C@H](C(=O)NC[C@@H]2CN(CC#N)C[C@H]2C)CC1=O 1092654589 ZETQMTLEIUKOMT-MGPQQGTHSA-N 322.409 -0.311 30 20 DBED COC(=O)NCC(=O)N[C@H]1[C@@H]2CN(c3ccc(C#N)nn3)C[C@@H]21 1093239912 OTRWOGGJNUAWRQ-IWIIMEHWSA-N 316.321 -0.745 30 20 DBED C#CCCCC(=O)N[C@H]1[C@@H]2CN(c3nccn4nnnc34)C[C@@H]21 1093255782 DDWVSBMTWGAMAK-PJXYFTJBSA-N 311.349 -0.126 30 20 DBED C=CCN1CC(OC2CCN(C(=O)[C@@H]3CNC(=O)N3)CC2)C1 1093566157 NVBLLOQGWRKICJ-ZDUSSCGKSA-N 308.382 -0.454 30 20 DBED COC(=O)c1nc(=NCCNC(=O)c2ccc(C#N)[nH]2)cc[nH]1 1093588208 UEOKGCALMBZQJR-UHFFFAOYSA-N 314.305 -0.273 30 20 DBED Cc1cc(=NCCCNC(=O)C2CS(=O)(=O)C2)c(C#N)c[nH]1 1094611659 AUIFWJTXARAKHW-UHFFFAOYSA-N 322.390 -0.354 30 20 DBED Cc1cc(C#N)nc(N(C)CCCNC(=O)Cn2cncn2)n1 1095555764 CYJCKJGQELQJMP-UHFFFAOYSA-N 314.353 -0.109 30 20 DBED CNC(=O)NCC(=O)N[C@@H]1CCCN(c2ncccc2C#N)C1 1096240051 RSTOCERJERELMB-GFCCVEGCSA-N 316.365 -0.033 30 20 DBED Cc1cc(C#N)nc(N[C@@H](C)CNC(=O)Cn2cnnn2)n1 1097696094 JVBZANLQEQJVHD-VIFPVBQESA-N 301.314 -0.740 30 20 DBED C[C@H](NC(N)=O)C(=O)N1CC[C@@H](CNc2cncc(C#N)n2)C1 1098521499 FMRUFVQZXPUFPD-UWVGGRQHSA-N 317.353 -0.335 30 20 DBED COCC(=O)NC[C@@H]1CCC(C)(C)CN1CC(=O)NCC#N 1098834046 YYFNSXNSQDXCSA-LBPRGKRZSA-N 310.398 -0.121 30 20 DBED COCC#CCN1C[C@@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CC(N)=O)C1 1099431644 RCFWXNAYRAIBSU-XQLPTFJDSA-N 319.405 -0.320 30 20 DBED N#CCNC(=O)CN1CC[C@@H](NC(=O)c2cccs2)[C@H](O)C1 1099630957 SMYCTZDPMKJTMJ-GHMZBOCLSA-N 322.390 -0.447 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)C2=CCCC2)[C@@H](O)C1 1099766034 FSNSJKQWXDJJFX-KBPBESRZSA-N 305.378 -0.603 30 20 DBED CC(C)C#CC(=O)N[C@H]1CCN(CCNC(=O)C2CC2)C[C@@H]1O 1099821399 UMLLJTHIKIILJS-GJZGRUSLSA-N 321.421 -0.277 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)C(C)(C)CC=C)[C@H](O)C1 1100021066 XCYUGYMPYYAVJH-ZIAGYGMSSA-N 321.421 -0.111 30 20 DBED C#CCCN1CC[C@H](NC(=O)CCc2ncccn2)[C@H](O)C1 1100044080 QYQKBSPNWPVHED-UONOGXRCSA-N 302.378 -0.016 30 20 DBED CC#CCN1CC[C@H](NC(=O)C2(C(=O)NC)CCC2)[C@@H](O)C1 1100085836 RJRGWMBJQZBKJH-STQMWFEESA-N 307.394 -0.523 30 20 DBED C=CCCN1CC[C@@H](NC(=O)C(C)(C)NC(=O)NC)[C@H](O)C1 1100126813 NIVPLTUMIYTBQR-VXGBXAGGSA-N 312.414 -0.179 30 20 DBED C#CCNC1CC(CNC(=O)[C@H](Cn2cccn2)N(C)C)C1 1100401772 KAMRQWOWJCVAPM-NRXISQOPSA-N 303.410 -0.069 30 20 DBED CCn1cc(CC(=O)NCCN(C)c2ccnc(C#N)n2)nn1 1100422202 MBWBYPOGSRXNAA-UHFFFAOYSA-N 314.353 -0.245 30 20 DBED CCN(CCNC(=O)CC(=O)N(C)C)c1ccnc(C#N)n1 1100743807 UHKVWNOUVZZVGO-UHFFFAOYSA-N 304.354 -0.231 30 20 DBED CC(=O)NCC(=O)N[C@H]1CC2(CN(CC#N)C2)n2ccnc21 1101604099 NGQMZNWYFXIOKS-NSHDSACASA-N 302.338 -0.885 30 20 DBED CN(CCNc1cncc(C#N)n1)C(=O)CCn1cnnn1 1101739965 JRBHSBCLUKQLRR-UHFFFAOYSA-N 301.314 -0.705 30 20 DBED COCC#CCN1C[C@@H](C)[C@H](CNC(=O)[C@H]2CCC(=O)N2C)C1 1102265511 WZMQSQDFORSYLD-RBSFLKMASA-N 321.421 -0.059 30 20 DBED C[C@H](CNC(=O)c1cn(C)nn1)CNc1ccc(C#N)nn1 1103927788 SLMCFVCTDBTYEW-VIFPVBQESA-N 300.326 -0.045 30 20 DBED N#Cc1ccc(N2CCO[C@@H](CNC(=O)CC(N)=O)C2)cn1 1104305740 WHTIYFFKUCQAPI-LBPRGKRZSA-N 303.322 -0.850 30 20 DBED CC(C)C[C@H](CNc1ccc(C#N)nn1)NC(=O)CNC(N)=O 1104906512 LYQAQRFSLJOSJA-LLVKDONJSA-N 319.369 -0.041 30 20 DBED CN(CCN(C)c1ccnc(C#N)n1)C(=O)CN1CCOCC1 1105372040 QHQPUJTVGHYLBN-UHFFFAOYSA-N 318.381 -0.425 30 20 DBED CN(CCN(C)c1nccnc1C#N)C(=O)CCCC(N)=O 1105419086 FUBYKAYIHVUGAJ-UHFFFAOYSA-N 304.354 -0.102 30 20 DBED CN(CCN(C)c1ccc(C#N)nn1)C(=O)C(=O)NCC1CC1 1105447560 FNFRGQQGYRTLMN-UHFFFAOYSA-N 316.365 -0.231 30 20 DBED C[C@](O)(CC(=O)NC[C@@H](O)CNc1nccnc1C#N)C1CC1 1105826786 KIXQKQYIKRWWOT-ABAIWWIYSA-N 319.365 -0.212 30 20 DBED C[C@H](C(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1)C(F)(F)F 1106048086 ZMIQFIVVVDSWPJ-SFYZADRCSA-N 317.271 -0.142 30 20 DBED N#Cc1c(F)cccc1NC[C@H](O)CNC(=O)[C@H]1CNC(=O)N1 1106088291 CQXBPLAGAGEFSU-QPUJVOFHSA-N 321.312 -0.732 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@@H](C)[C@H](CNCC(=O)NCC#N)C1 1106112027 VSWBLGKWJNNULX-MGPQQGTHSA-N 320.393 -0.651 30 20 DBED CC[C@@H](NC(C)=O)C(=O)NC[C@@H](O)CNc1ccc(C#N)nc1 1106123054 IZSLGSRRVDESBG-UONOGXRCSA-N 319.365 -0.243 30 20 DBED C[C@@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)[C@H]1CCNC(=O)C1 1106252538 IZNGPSPCCAAJIT-QWRGUYRKSA-N 316.365 -0.397 30 20 DBED C[C@H](CCNc1cnc(C#N)cn1)NC(=O)CN1CCOCC1 1106279332 GDZKDWXXOBZHOH-GFCCVEGCSA-N 318.381 -0.013 30 20 DBED Cc1nc(CN2CCO[C@](C)(CNC(=O)[C@H](C)C#N)C2)n[nH]1 1107821929 XYAPFKKRTUSQEV-QMTHXVAHSA-N 306.370 -0.020 30 20 DBED C[C@H](CN=c1cc[nH]cc1C#N)NC(=O)C[C@H]1CCNC1=O 1107979057 YHSQAQVPNFPRFH-GHMZBOCLSA-N 301.350 -0.182 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)[C@@]2(COC)CCOC2)C1 1108099390 KVVDKAFFXJMFKF-HZPDHXFCSA-N 310.394 -0.120 30 20 DBED C[C@@H](CNc1cncc(C#N)n1)NC(=O)CCn1ccnn1 1108330074 FBCXGZIFKMKBFJ-JTQLQIEISA-N 300.326 -0.053 30 20 DBED Cc1nc(CC(=O)N[C@@H](C)CN=c2cc[nH]c(C#N)n2)n[nH]1 1108357324 GRRJWRGDRNLGEP-QMMMGPOBSA-N 300.326 -0.644 30 20 DBED C=CCN1CCN(C(=O)COC(C)C)[C@@H]2CS(=O)(=O)C[C@@H]21 1108460791 MMJLNNZAPLJBFQ-QWHCGFSZSA-N 316.423 -0.093 30 20 DBED CC(C)[C@H](C(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1)N(C)C 1108569667 NCZQCXVSHBLSFS-IUODEOHRSA-N 321.425 -0.503 30 20 DBED N#CCNC(=O)CN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(F)F)C2 1108595769 XZHNWBZIMIFAJX-GUBZILKMSA-N 300.309 -0.140 30 20 DBED C[C@H](CN(C)c1ccnc(C#N)n1)NC(=O)[C@@H]1CN(C)CCO1 1108905358 JEMFUQJXYQWIIB-NEPJUHHUSA-N 318.381 -0.380 30 20 DBED Cc1nc(CC(=O)N[C@@H](C)CN(C)c2nccnc2C#N)n[nH]1 1108954879 FLIMIBCRSXKENH-VIFPVBQESA-N 314.353 -0.042 30 20 DBED C[C@@H](CN(C)c1nccnc1C#N)NC(=O)[C@@]1(C)CCNC1=O 1109240940 WYOYPFMEKZRFJW-BONVTDFDSA-N 316.365 -0.185 30 20 DBED C#CCOCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2[C@H]1CCN(C)C1=O 1109270538 KXCQKSYXZLGSGJ-QPSCCSFWSA-N 319.405 -0.022 30 20 DBED C#CCOCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2[C@H](C)C(=O)NC 1109270690 RGVIHSNRFLIHET-MQYQWHSLSA-N 307.394 -0.118 30 20 DBED O=C(C#CC1CC1)N[C@@H]1[C@H]2C[C@H]1N(c1ccc3nnnn3n1)C2 1109701568 XNHOVQWVKNDKKR-FIXISWKDSA-N 309.333 -0.374 30 20 DBED N#Cc1nc(=NC[C@H](NC(=O)[C@@H]2CCNC2=O)C2CC2)cc[nH]1 1109946606 WTIFIWZBYDCGLA-MNOVXSKESA-N 314.349 -0.787 30 20 DBED COCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1110403758 YWEPLWUMDSYVNS-UPJWGTAASA-N 324.381 -0.989 30 20 DBED N#Cc1ccc(NCCN(CCO)C(=O)[C@@H]2COCCO2)cn1 1111425630 QUOCASKMEQEEPI-AWEZNQCLSA-N 320.349 -0.399 30 20 DBED COC[C@@H](C)C(=O)N(CCO)CCNc1cncc(C#N)n1 1111437886 AAZZGXJROLFABZ-LLVKDONJSA-N 307.354 -0.136 30 20 DBED N#Cc1c[nH]ccc1=NCCN(CCO)C(=O)[C@@]12COC[C@@H]1C2 1111577789 WNAUXDICBDVTNR-BBRMVZONSA-N 316.361 -0.356 30 20 DBED C[C@H](NC(N)=O)C(=O)NCC1(N=c2cc[nH]cc2C#N)CCC1 1111786206 DSCYGTUULAMCSH-JTQLQIEISA-N 316.365 -0.117 30 20 DBED CN(CCCN(C)c1cncc(C#N)n1)C(=O)Cn1cnnn1 1112040481 MAMDPMOIQNRULK-UHFFFAOYSA-N 315.341 -0.680 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)c2cnsn2)CC1 1112645021 GNPYBJFVEKKXTG-JTQLQIEISA-N 307.379 -0.566 30 20 DBED C#CCNC(=O)CC(=O)N1CCN(Cc2nonc2C)CC1 1112774495 ZSAFMNIZKPXXMI-UHFFFAOYSA-N 305.338 -0.838 30 20 DBED CC(C)(C)C#CC(=O)N1CCN(CCNS(C)(=O)=O)CC1 1112837255 ZPAOFFRLQDHEFW-UHFFFAOYSA-N 315.439 -0.271 30 20 DBED CCc1nc(C#N)cc(N[C@H](C)[C@@H](C)NC(=O)CNC(N)=O)n1 1112894949 NNHDASBVHIVXPP-RKDXNWHRSA-N 319.369 -0.116 30 20 DBED C[C@@H](CNC(=O)CNC(=O)C1CC1)N(C)c1cnc(C#N)cn1 1113504899 IRFOQYDRZYPRDA-JTQLQIEISA-N 316.365 -0.185 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)c3cnccn3)[C@@H]2C1 1113790489 IVRBSQDCNZIICF-QJPTWQEYSA-N 315.377 -0.173 30 20 DBED C[C@H](CC(N)=O)C(=O)NC[C@@H](C)N(C)c1ccc(C#N)nn1 1113799345 CPVJOHPIOYOGOC-NXEZZACHSA-N 304.354 -0.199 30 20 DBED C=CCCC(=O)NC1[C@@H]2CN([C@H](C)C(=O)NC(=O)NC)C[C@@H]12 1114026282 ZLANKXJNMJQELA-GMTAPVOTSA-N 308.382 -0.157 30 20 DBED C=CCOCCN1C[C@H]2C(NC(=O)[C@@H]3CCNC(=O)C3)[C@@H]2C1 1114137253 UPPIJDQSBRAEON-JHJVBQTASA-N 307.394 -0.238 30 20 DBED C#CCOCCC(=O)NC1[C@@H]2CN([C@H](C)C(=O)N(C)C)C[C@@H]12 1114268588 OKMQORWSWUFPRD-JHJVBQTASA-N 307.394 -0.451 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)Cc3cnn(C)c3C)[C@@H]2C1 1114384212 GRJZWXQVGFYBQM-HUUCEWRRSA-N 316.405 -0.033 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)c3c[nH]nc3C)[C@H]2C1 1114652693 RSLSPIMZELFREJ-SCUASFONSA-N 315.377 -0.484 30 20 DBED N#Cc1ccc(NC[C@H]2C[C@H](NC(=O)C3(C(N)=O)CC3)C2)nn1 1114811861 SUPMBMSPIWAXNU-HOMQSWHASA-N 314.349 -0.080 30 20 DBED C=CCCN1C[C@H]2C(NC(=O)[C@@H](C)NS(C)(=O)=O)[C@@H]2C1 1114888657 LLOLZMPHRLIKGD-GMTAPVOTSA-N 301.412 -0.453 30 20 DBED C=CCCOCC(=O)NC1[C@H]2CN(Cc3nc(=O)n(C)[nH]3)C[C@H]12 1115324115 LEAZYXXRUCJTJD-QWRGUYRKSA-N 321.381 -0.753 30 20 DBED CN(C)CCOCCNC(=O)C(=O)N1CCC[C@@](C)(C#N)C1 1117471601 KHCIPRKZJPCFGL-HNNXBMFYSA-N 310.398 -0.167 30 20 DBED C#CC1CCN(C(=O)C(=O)N(C)CCN2CCOCC2)CC1 1118248216 XGWMZQNNVHWGCW-UHFFFAOYSA-N 307.394 -0.351 30 20 DBED N#Cc1ncn(CCNC(=O)C(=O)Nc2ccc3nccn3c2)n1 1118442949 IXMHWVZGPNMZEN-UHFFFAOYSA-N 324.304 -0.448 30 20 DBED CCc1nc(C#N)cc(N[C@@H](CO)CNC(=O)[C@@H]2CCCO2)n1 1121183012 HSBHVULEROXXPW-NEPJUHHUSA-N 319.365 -0.021 30 20 DBED CO[C@@H](C)CC(=O)NC[C@@H](CO)N=c1cc(C)[nH]cc1C#N 1121192852 ZXPLEYYNGYFSEX-AAEUAGOBSA-N 306.366 -0.002 30 20 DBED CCOCCOCC(=O)NC[C@H](CO)Nc1ncccc1C#N 1121677164 NJCXLYCSAWSCNV-CYBMUJFWSA-N 322.365 -0.105 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)Cc2ncc[nH]2)nn1 1121976660 DPQMVMFISASKJY-SNVBAGLBSA-N 301.310 -0.797 30 20 DBED C#CCNCC(=O)N(C)CC(=O)N1CCC[C@@H](C(=O)OCC)C1 1122044110 OBWYDCHAWKOSSO-CYBMUJFWSA-N 323.393 -0.531 30 20 DBED Cc1ncc(CC(=O)NC[C@@H](CO)Nc2ccc(C#N)nn2)o1 1122190011 LYKRXDWWLZPIGG-NSHDSACASA-N 316.321 -0.224 30 20 DBED Cc1nnccc1C(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1 1122850402 LMNJVJKYOIVYMM-JTQLQIEISA-N 313.321 -0.929 30 20 DBED C#CCC[C@@H](O)CNC(=O)NCCN1CCC2(C1)OCCO2 1123707174 DFUNYCWMCYYABQ-CYBMUJFWSA-N 311.382 -0.491 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)[C@H]1CCCN1C 1124208200 VZHDPMSQNLXCQI-NWDGAFQWSA-N 318.381 -0.904 30 20 DBED CN(C[C@H](O)CNc1cnc(C#N)cn1)C(=O)c1cnon1 1124465866 AHCDTNGAMBSOIK-SECBINFHSA-N 303.282 -0.724 30 20 DBED COCC(=O)N[C@@H](C)C(=O)NCCNCc1ccc(C#N)s1 1127967213 JYPSKEONFFRYDK-JTQLQIEISA-N 324.406 -0.023 30 20 DBED N#CCN1CCn2ncc(CNC(=O)CCn3cncn3)c2C1 1128206765 CUUGLZDKMKVLHP-UHFFFAOYSA-N 314.353 -0.480 30 20 DBED C=C(C)CN(CC)C(=O)CNCCNC(=O)[C@H]1CCC(=O)NC1 1130702762 VCXOHWUWVUDMRY-ZDUSSCGKSA-N 324.425 -0.357 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)C(C)(C)NC(C)=O)CC1 1131387899 AKSOEOFYEBNUTJ-UHFFFAOYSA-N 322.409 -0.815 30 20 DBED C#CCNC(=O)CN1CC[C@]2(C1)CN(C(=O)COC)C[C@H](C)O2 1131614843 BPOWNNVMVFWIBW-BBRMVZONSA-N 323.393 -0.926 30 20 DBED C=CCNC[C@@H]1CN(C(=O)Cn2c(O)nnc2O)CC[C@@H]1C 1133269656 ASOWKAGMYHROIN-WDEREUQCSA-N 309.370 -0.051 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)CSCC#N 1133736215 LWUZZENUXLTISJ-RYUDHWBXSA-N 310.423 -0.135 30 20 DBED C[C@@H](C[C@H](C)NC(=O)CCn1ccnn1)NCC(=O)NCC#N 1134193836 PMXUZNLRSSNJGR-RYUDHWBXSA-N 321.385 -0.819 30 20 DBED CC#CCN[C@H](C)C[C@@H](C)NC(=O)Cn1cnc(C(N)=O)n1 1134398854 IEYNTTSWCOZZHX-GHMZBOCLSA-N 306.370 -0.727 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)c1c[nH]nc1C 1135143112 IOLDKSLMKCHPDT-MNOVXSKESA-N 305.382 -0.046 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC2(CN(C(=O)CCOC)C2)C1 1146894265 PNMLOUJINRZDPP-CYBMUJFWSA-N 307.394 -0.305 30 20 DBED CCN(CCC#N)C(=O)CN1CCCO[C@@H](CNC(C)=O)C1 1148962604 UTVJQHBQUMTVJV-AWEZNQCLSA-N 310.398 -0.024 30 20 DBED CN(C)C(=O)C1(C(=O)NC[C@H]2CN(CC#N)CCCO2)CC1 1150562011 LELNBSGLEWFXBY-LBPRGKRZSA-N 308.382 -0.415 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)C[C@](C)(O)C=C 1153018392 BBTWPAHCQGBGIG-CZUORRHYSA-N 309.410 -0.111 30 20 DBED C=CCO[C@@H](C)C(=O)NCCNCC(=O)N1CCO[C@@H](C)C1 1153148711 JVXGITFFYGAMTD-STQMWFEESA-N 313.398 -0.469 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)c1cc[n+]([O-])cc1 1154386566 PJSIWYQFCVSVRQ-LBPRGKRZSA-N 306.366 -0.280 30 20 DBED COCCCNC(=O)CNCCCNC(=O)c1c[nH]c(C#N)c1 1156841245 DFLKKZTYJLPVLN-UHFFFAOYSA-N 321.381 -0.251 30 20 DBED C[C@]1(C(=O)NCCCNCC(=O)NCC#N)C[C@H]2CC[C@H]1O2 1158122755 WDBCYLCPWHJNGR-JMSVASOKSA-N 308.382 -0.320 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)c1cncnc1O 1160651286 XJDKJJSDAVPYJQ-SNVBAGLBSA-N 307.354 -0.418 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)CCc1nccn1C 1163051036 QCZHXGLTNRMHRS-CYBMUJFWSA-N 319.409 -0.414 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)c1c(C)nn(C)c1C 1163575881 ZDWJOVGJJPIIBC-LBPRGKRZSA-N 319.409 -0.116 30 20 DBED C=CCNC(=O)NC(=O)CNCCCNC(=O)[C@@H]1CC12CC2 1167303136 HNGYPCGUAAHPCM-NSHDSACASA-N 308.382 -0.106 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)NCCCNCc1nnn(C)n1 1167685836 XYQAJBYVLZVRMA-GFCCVEGCSA-N 323.401 -0.723 30 20 DBED C=CCn1cc(C(=O)NCCCN[C@@H]2CCN(CC)C2=O)nn1 1167839063 SJYUSOKDCFJBPE-GFCCVEGCSA-N 320.397 -0.206 30 20 DBED C=CCNC(=O)CNCCCC[C@@H](C)NC(=O)CNC(C)=O 1168873448 JDMOGVKEQXACEX-GFCCVEGCSA-N 312.414 -0.311 30 20 DBED C#Cc1ccc(C(=O)NCCCN[C@@H](C)C(=O)NC(N)=O)nc1 1171589690 JGPRTMZUODOGDQ-JTQLQIEISA-N 317.349 -0.644 30 20 DBED Cc1cnn(CCC(=O)NCCCNCC(=O)NCC#N)c1 1176934123 OLKHDIJBGUIJIX-UHFFFAOYSA-N 306.370 -0.683 30 20 DBED C/C=C(/C)C(=O)N1CC[C@@H]2OCCN(CC(=O)NCC#N)[C@@H]2C1 1176969520 MQTBYQIHKTWUJS-FIUZYOSWSA-N 320.393 -0.106 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H](NCC(=O)N(C)C)[C@@H]2C)nn1 1179674182 MQTNUBMPEYWVPM-RYUDHWBXSA-N 320.397 -0.255 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 1182120831 IKOLSNUAFXHRBA-GFCCVEGCSA-N 301.350 -0.007 30 20 DBED COc1ncccc1C(=O)N1CC[C@@H](NCC(=O)NCC#N)C1 1185369941 XGCSIOYUBBNPRD-LLVKDONJSA-N 317.349 -0.466 30 20 DBED C=CCCN[C@@H]1CCN(C(=O)c2c[nH]nc2S(N)(=O)=O)C1 1185576657 NWXZFRTYAVPNRZ-SECBINFHSA-N 313.383 -0.563 30 20 DBED C=CCCNCc1cn([C@H]2CCCN(C(=O)C(N)=O)C2)nn1 1185999443 IHCLRIGRYQROFS-LBPRGKRZSA-N 306.370 -0.407 30 20 DBED C#CCNC[C@H]1CN(C(=O)Cn2ncnn2)CC12CCOCC2 1186373456 KLSYXOCWMAGDLX-ZDUSSCGKSA-N 318.381 -0.849 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)c2cn(CCC)nn2)C1 1186638270 YWZBMUBXDYJYIP-GFCCVEGCSA-N 320.397 -0.206 30 20 DBED Cc1ncc(C(=O)N2CC[C@H](N(C)CC(=O)NCC#N)C2)[nH]1 1189354544 PVWBRENIMPBCBA-NSHDSACASA-N 304.354 -0.496 30 20 DBED COCC#CCN(C)[C@H]1CCN(C(=O)[C@@H]2CC(=O)N(C)C2)C1 1190453839 NISURTSMFKNVFV-KGLIPLIRSA-N 307.394 -0.353 30 20 DBED CN(CC#N)[C@@H]1CCN(C(=O)CCCN2C(=O)CCC2=O)C1 1190492533 QUOZSJWZQCYKFX-GFCCVEGCSA-N 306.366 -0.028 30 20 DBED N#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2ccccc2)C1 1190676138 JTAVRKKXGGFUIP-CHWSQXEVSA-N 302.334 -0.899 30 20 DBED C[C@@H](C(=O)NC(N)=O)N1CCCN(C(=O)C#CC2CC2)CC1 1195754236 JXCADXJLAYEUJM-NSHDSACASA-N 306.366 -0.483 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)CC(=O)NCC(F)(F)F)C1 1197327067 NXJBTDYRBAAKII-NXEZZACHSA-N 323.315 -0.208 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)CNC(=O)CC2CCCCC2)C1 1199499027 VETSKQJLGJYHTN-ZIAGYGMSSA-N 322.409 -0.242 30 20 DBED C#CCOCCC(=O)N1CCCO[C@H](CNCC#CCOC)C1 1200501704 RLAJOGLCOHCARN-MRXNPFEDSA-N 322.405 -0.117 30 20 DBED C=CCNC[C@@H]1CN(C(=O)CN2CCCNC2=O)CCCO1 1200879723 BZIJBEJKYRYVGF-CYBMUJFWSA-N 310.398 -0.205 30 20 DBED C=CCNC(=O)[C@@H](C)NC1CCN(C(=O)CC(=O)N(C)C)CC1 1202827141 RZOJQRUANBUPLV-GFCCVEGCSA-N 324.425 -0.264 30 20 DBED C#CCNC(=O)[C@H](C)NCC1CCN(C(=O)CNC(C)=O)CC1 1204326658 ZZSUVDKJSGOWOB-LBPRGKRZSA-N 322.409 -0.911 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)CNC(=O)CC)[C@H](C)C1 1206641741 ZZSHFMVBVYHTDF-FRRDWIJNSA-N 322.409 -0.913 30 20 DBED Cc1nn(CC(=O)N2CCC(CNCC#N)CC2)c(=O)n1C 1206905610 FFYCIOGEORUDKX-UHFFFAOYSA-N 306.370 -0.758 30 20 DBED CC#CCN[C@@H]1CN(C(=O)CCn2cc[nH]c(=O)c2=O)C[C@H]1C 1215944327 HCKBWMCRUQUZCY-CHWSQXEVSA-N 318.377 -0.614 30 20 DBED C#CCO[C@H](C)C(=O)NC1CCN(Cc2nc(O)n[nH]2)CC1 1227342328 MPHJPLHXLWYRTF-SNVBAGLBSA-N 307.354 -0.371 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)C(C)(C)C(N)=O)CC1 1227876732 JWKPVCAPKRUASU-UHFFFAOYSA-N 310.398 -0.619 30 20 DBED C=CCOCC(=O)NCC[C@H]1CN(CCF)CCS1(=O)=O 1230435488 FRBMLYSCSJVYFX-LBPRGKRZSA-N 322.402 -0.236 30 20 DBED C=CCNC(=O)NC(=O)CN1CC[C@H]1CN(C)C(=O)[C@H](C)C#N 1231249085 YNBVRXJUNMVIBZ-NEPJUHHUSA-N 321.381 -0.309 30 20 DBED COCC#CCN1CC[C@H]1CN(C)C(=O)C[C@H]1CCNC1=O 1235280788 KTIFQHNMMZLOEW-KGLIPLIRSA-N 307.394 -0.305 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)C23CCN(CC2)C3)C1 1265454104 FBHIKCLHWOBCNM-KGLIPLIRSA-N 318.421 -0.589 30 20 DBED N#CCNC(=O)CN1CCC[C@@H](NC(=O)Cc2cccnc2)C1 1267611930 PAAQAVRXMOEXGN-CQSZACIVSA-N 315.377 -0.156 30 20 DBED COCC(=O)NCCC(=O)OCC(=O)N[C@@](C)(C#N)C(C)C 1317848385 JCALXOVOAYSJSA-AWEZNQCLSA-N 313.354 -0.263 30 20 DBED COCCS(=O)(=O)CC(=O)N[C@@H]1CCCN(CC#N)C1 1317935315 BGOIMFBHCPXACJ-LLVKDONJSA-N 303.384 -0.848 30 20 DBED C[C@H](COCC(F)(F)F)NC(=O)C(=O)N1CCO[C@@H](C#N)C1 1322548481 XOIUANNJKZZTJO-BDAKNGLRSA-N 323.271 -0.179 30 20 DBED C#CCSCCNC(=O)C(=O)NCCOC[C@@H]1CCOC1 1322550926 KQSAUMBAFLENQR-GFCCVEGCSA-N 314.407 -0.362 30 20 DBED C#CCSCCNC(=O)C(=O)NCCC(=O)NC(C)(C)C 1322740008 IRZZEHHXKUTBKK-UHFFFAOYSA-N 313.423 -0.110 30 20 DBED CS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NCCCCC#N)C1 1323193137 LRKNWWATQIJHRH-JTQLQIEISA-N 301.368 -0.558 30 20 DBED C#CCOCCNC(=O)C(=O)N(C)CCC(=O)OC(C)(C)C 1323261944 YLUYTGXQQJWVAV-UHFFFAOYSA-N 312.366 -0.057 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NC[C@H](COC)OC 1324425868 XJYYARXWOHGCMO-UPJWGTAASA-N 314.382 -0.139 30 20 DBED CCOC(=O)c1nn(C)cc1C=Nn1c(S)nncc1=O 1324653938 BSWZLZKQOXPFGX-UHFFFAOYSA-N 308.323 -0.281 30 20 DBED N#C[C@@]1(F)CCN(C(=O)C(=O)N2CCCC3(C2)OCCO3)C1 1324942527 SNDYRYIXFMOVQX-ZDUSSCGKSA-N 311.313 -0.184 30 20 DBED C#C[C@H](NC(=O)C(=O)Nc1cccn(C)c1=O)[C@H]1CCCO1 1325764120 YMDDMQGQEOCGPY-CMPLNLGQSA-N 303.318 -0.379 30 20 DBED CO[C@@H]1CCN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)C[C@@H]1C 1326265252 FSVIDILXWYBCJE-YWPYICTPSA-N 309.366 -0.253 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N(C)C[C@H](O)C2CC2)nn1 1326718704 PNBBMULCNPZTAT-LBPRGKRZSA-N 307.354 -0.690 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2cncnc2)C1=O 1327030056 QMKAEKXPFANEIE-NSHDSACASA-N 303.322 -0.340 30 20 DBED C#C[C@H](NC(=O)C(=O)N1C[C@H](OC)[C@H](OC)C1)[C@H]1CCCO1 1327259709 UWWBROIJMDMOSU-QNWHQSFQSA-N 310.350 -0.844 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)NCc1cccc(C(N)=O)c1 1327522381 SWMLWPSTKINATH-GFCCVEGCSA-N 305.334 -0.281 30 20 DBED CO[C@@H]1COC[C@H]1NC(=O)C(=O)Nc1cc(C)n(CCC#N)n1 1329302211 OECDDJHMPHLBSR-GHMZBOCLSA-N 321.337 -0.426 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)NCC1([S@@](C)=O)CCC1 1329913452 CRVVLUJEPHPRFI-WVDJIFEKSA-N 302.396 -0.279 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N[C@H](C)c1ncnn1C 1332750428 ZVGTYYGBJGFDDX-MNOVXSKESA-N 307.354 -0.463 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N[C@H]1CCCN(C)C1=O 1332869075 XOERIVOEYSKYAF-NEPJUHHUSA-N 309.366 -0.732 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CCC[C@@H](C#N)C2)C1=O 1335543951 MYRJPMDQKPYXTN-STQMWFEESA-N 318.377 -0.006 30 20 DBED C=CCn1c([C@H](O)C2CC2)nnc1N1CCO[C@@H](C(=O)NC)C1 1339451042 VTDIMBZNDBCCAP-VXGBXAGGSA-N 321.381 -0.141 30 20 DBED C#C[C@H](C)N(C)c1nnc(C2=NO[C@H](CO)C2)n1CCOC 1341236105 INRJIUBKOJWGPE-QWRGUYRKSA-N 307.354 -0.132 30 20 DBED CC#CCCNC(=O)C(=O)NC[C@@H](C)CN1CCN(C)CC1 1345206713 ZKXUGHJEJMRKFL-CQSZACIVSA-N 308.426 -0.484 30 20 DBED C#CC1CCN(C(=O)C(=O)N2CC[C@@](CO)(COC)C2)CC1 1345979883 LPWVQYNNUMDYPO-MRXNPFEDSA-N 308.378 -0.284 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N[C@@H]1CC[C@H](C(=O)OC)C1 1354868895 MMNWCKYRBBMIME-QWHCGFSZSA-N 324.377 -0.057 30 20 DBED N#Cc1cn(CCC(=O)NC[C@@H]2CC[C@@H](O)C2)c(=O)nc1O 1362500354 YLXNPTANAMEKDP-MWLCHTKSSA-N 306.322 -0.512 30 20 DBED N#Cc1ccc(CNC(=O)CN2CC[C@@H](O)[C@H](CO)C2)cc1 1364730994 QYRPVBDRSQRZKO-LSDHHAIUSA-N 303.362 -0.150 30 20 DBED N#Cc1cn(CCNC(=O)OC[C@@H]2CCCO2)c(=O)nc1O 1364914190 ZGSCPMJOPDIIGB-JTQLQIEISA-N 308.294 -0.274 30 20 DBED CCOC(=O)[C@@H]1CCN(C(=O)NCCn2cnc(C#N)n2)C1 1365156392 SEHNTLXINWRVMF-SNVBAGLBSA-N 306.326 -0.256 30 20 DBED N#CC[C@]1(O)CCN(C(=O)NCc2nnc3n2CCOC3)C1 1365585394 FRLSFBYSPGHBGP-ZDUSSCGKSA-N 306.326 -0.632 30 20 DBED COC(=O)c1cn(CCNS(=O)(=O)CC(C)(C)C#N)nn1 1365705945 MVTJNNYVKUKZPV-UHFFFAOYSA-N 315.355 -0.466 30 20 DBED C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)Cn2ncn(C)c2=O)C1 1368499858 UXWVKKDYVAHUQO-PHIMTYICSA-N 313.789 -0.181 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1C[C@@H](NC(=O)CNC(=O)C2CC2)C1 1371704053 IMWSLFFDIYXHTB-FOGDFJRCSA-N 306.366 -0.317 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)COCc2nncn2C)CC1 1393815050 FJWMOIGJOOWHTO-SNVBAGLBSA-N 320.353 -0.744 30 20 DBED C[C@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)C[C@@H]1CCC(=O)N1 1397405366 KITJEWGJUSMSNV-KOLCDFICSA-N 317.349 -0.210 30 20 DBED COc1cc(OC)nc(C(=O)N[C@H](C)CNC(=O)[C@H](C)C#N)n1 1408303078 CHYBSNPSWIDRBB-RKDXNWHRSA-N 321.337 -0.112 30 20 DBED Cn1c(=O)[nH]c(NC[C@@H]2COC3(CCOCC3)O2)c(C#N)c1=O 1413884491 DUTNEDQHGDBGMJ-SECBINFHSA-N 322.321 -0.721 30 20 DBED C[C@@H](C#N)C(=O)NC1CN(C(=O)c2cnn3c(=O)cc[nH]c23)C1 1416048353 WYYYPAAHRCFZCV-QMMMGPOBSA-N 314.305 -0.877 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNCc2nc(=O)n(C)[nH]2)CCCC1 1419290043 PTRQXHMGMJWICO-JTQLQIEISA-N 306.370 -0.213 30 20 DBED COC(=O)c1cc(C#N)c(=O)n(CC(=O)Nc2cnccn2)c1 1421354392 ZZCBDQRFRLHVQK-UHFFFAOYSA-N 313.273 -0.065 30 20 DBED CCn1nc(C)c(C(=O)N(C)C[C@H](O)CNC(=O)[C@@H](C)C#N)n1 1425833068 QGOKADGRLQIXPO-GXSJLCMTSA-N 322.369 -0.685 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H](C)CNC(=O)CCCS(C)(=O)=O 1426713939 IBWXQKKGKVBAAA-GHMZBOCLSA-N 317.411 -0.066 30 20 DBED C[C@@]1(CNC(=O)NCCn2cc(C#N)c(O)nc2=O)CCCO1 1427093224 CYOKSUFHMAKZJG-AWEZNQCLSA-N 321.337 -0.311 30 20 DBED CCN(CC)C(=O)CNC[C@H](O)CNC(=O)c1cc(C#N)c[nH]1 1438983033 PQORGWNNBGKOGH-LBPRGKRZSA-N 321.381 -0.565 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1cccc2[nH]ncc12 1452404238 PIUDMBYUWSEGME-NXEZZACHSA-N 315.333 -0.071 30 20 DBED C[C@@H](CNC(=O)C[C@@H]1CCC(=O)N1)NC(=O)c1cc(C#N)c[nH]1 1452764892 NMTQORFFCWNVIE-ONGXEEELSA-N 317.349 -0.210 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCNC(=O)[C@H]1CCCCN1C(N)=O 1455481486 JEAOUBRDKFIAIZ-WDEREUQCSA-N 309.370 -0.346 30 20 DBED Cc1n[nH]c(C)c1CCC(=O)NC[C@H](O)CNC(=O)[C@@H](C)C#N 1457987526 RVPVAPOCKBLNMU-CABZTGNLSA-N 321.381 -0.288 30 20 DBED C=C(Cl)CNC[C@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 1491839497 WYCGTEYESDJNON-ZJUUUORDSA-N 314.773 -0.225 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CCN(C(=O)c2ccn(C)c(=O)c2)C1 1493362865 QYGDESFUSGBRMO-ZYHUDNBSSA-N 302.334 -0.124 30 20 DBED CC(=O)NCC(=O)N(C)C[C@H](C)NC(=O)c1cc(C#N)c[nH]1 1510433970 HHLIZFUXLOTLDY-VIFPVBQESA-N 305.338 -0.401 30 20 DBED C[C@H](C#N)C(=O)N[C@@H](CNC(=O)c1ccc(O)nn1)C1CC1 1524320006 FRKXYKPQBUNUMO-KCJUWKMLSA-N 303.322 -0.034 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)[C@@H](NC(N)=O)C(C)(C)C)CC1 1535632365 GYWAARUGJUTVNS-NXEZZACHSA-N 323.397 -0.006 30 20 DBED C[C@H](CN1CCOCC1)Cn1c(N)nc(C#N)c1-c1nn[nH]n1 1574832030 PCLHFNHPJHNZPZ-SECBINFHSA-N 317.357 -0.515 30 20 DBED N#CC1(CNS(=O)(=O)CCCc2cnn[nH]2)CCOCC1 1577706596 MFLGNYKHVRODCX-UHFFFAOYSA-N 313.383 -0.023 30 20 DBED N#Cc1ccc(N2CCC(NC(=O)C[C@@H](O)CN)CC2)nc1 1580067224 KZXOPLYXXQFPTJ-CYBMUJFWSA-N 303.366 -0.252 30 20 DBED N#Cc1nc(NC(=O)C2=C[S@](=O)CCC2)[nH]c1-c1nn[nH]n1 1581860036 HUHMYXDHJOHHHL-JOCHJYFZSA-N 318.322 -0.174 30 20 DBED C=C(CCC(=O)O)C(=O)N1CCO[C@H](CS(C)(=O)=O)C1 1588618846 BTVCPLZRVUVMQL-JTQLQIEISA-N 305.352 -0.321 30 20 DBED Cc1n[nH]c(C)c1NC(=O)Cn1cnc(-c2nn[nH]n2)c1C#N 1592325484 NYTVNJPDNOBDTH-UHFFFAOYSA-N 312.297 -0.086 30 20 DBED CN1CCN(S(=O)(=O)CC(C)(C)C#N)C[C@@H](C(=O)O)C1 1598621892 VPISHMZLNVLIEC-JTQLQIEISA-N 303.384 -0.186 30 20 DBED N#Cc1cn(CCC(=O)N[C@@H]2CC=C(C(=O)O)C2)c(=O)nc1O 1608223379 UNETYQNDPBDVRZ-SNVBAGLBSA-N 318.289 -0.500 30 20 DBED N#Cc1ncccc1S(=O)(=O)N1CCCN(C(N)=O)CC1 1645719506 KTDWZLYPPKVRDD-UHFFFAOYSA-N 309.351 -0.272 30 20 DBED N#C[C@H]1CNC[C@@H]1NC(=O)c1csc(S(N)(=O)=O)c1 1647244937 WYDOBOXCXZWKLA-YUMQZZPRSA-N 300.365 -0.763 30 20 DBED N#C[C@@H]1COCCN1C(=O)c1cccc(CS(N)(=O)=O)c1 1649714821 TVDZLADQHHVOGX-GFCCVEGCSA-N 309.347 -0.160 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)Cc2ccc[nH]2)C1 1714334887 FHUCVEJVNXCTIO-JSGCOSHPSA-N 302.378 -0.114 30 20 DBED C=CCN1CC[C@@H](N[C@@H](C)CCNC(=O)c2cnn[nH]2)C1=O 1733905858 FJUNXRZMWQIIKU-WDEREUQCSA-N 306.370 -0.310 30 20 DBED C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H](NCC(=O)NCC#N)C2)CCO1 1752672173 AUHRVULBQSPXLW-CYDGBPFRSA-N 308.382 -0.322 30 20 DBED C#CCCN[C@H](C)CNC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 1752888962 JFFPFDLIDHZSAC-OAGGEKHMSA-N 323.437 -0.016 30 20 DBED CN(CCNCC(=O)NCC#N)C(=O)[C@]1(C)C[C@H]2CC[C@H]1O2 1753190052 XJOGIDVLMMPQJV-LALPHHSUSA-N 308.382 -0.368 30 20 DBED CN1CC[C@@H](CC(=O)NCC2CN(CC(=O)NCC#N)C2)C1 1753413854 RJGKQXLVIWLPCA-LBPRGKRZSA-N 307.398 -0.984 30 20 DBED CCc1nc[nH]c1C(=O)N[C@H](C)CCNCC(=O)NCC#N 1754017994 MKZJESQADJYERP-SNVBAGLBSA-N 306.370 -0.290 30 20 DBED C#CCNC(=O)CNC/C=C/CNC(=O)c1ncc(F)cc1F 1754139884 TVCWUCMZIUNTPA-ONEGZZNKSA-N 322.315 -0.015 30 20 DBED C=CCNC(=O)CNC[C@H](C)NC(=O)CN1CCCCC1=O 1754273983 NTGHQSQWOJWXER-LBPRGKRZSA-N 310.398 -0.605 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CCN1CCN(C)S(C)(=O)=O 1754484362 ZTRJCPNEMIDAIM-ZDUSSCGKSA-N 315.439 -0.272 30 20 DBED CC#CCN[C@@H]1CCN(C(=O)Cn2ccc(O)nc2=O)[C@@H](C)C1 1754598735 WHDXDMGVFIFXDZ-QWHCGFSZSA-N 318.377 -0.059 30 20 DBED CC#CCN1CC[C@](O)(CNC(=O)c2cc(OCC)n[nH]2)C1 1754754065 LKCKQTIMVZXYFA-HNNXBMFYSA-N 306.366 -0.002 30 20 DBED CC#CCN1CC[C@](O)(CNC(=O)[C@H](C)CS(C)(=O)=O)C1 1754762857 ZIKAHRWMQMCUNQ-OCCSQVGLSA-N 316.423 -0.757 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC(O)(CNC(=O)c2cscn2)C1 1754764544 HBRLGGSXYJPOFM-SNVBAGLBSA-N 322.390 -0.943 30 20 DBED C=CCNC(=O)[C@H](C)NCCN(CCO)C(=O)C#CC(C)C 1754882292 YQQHKQPAQJXOHQ-AWEZNQCLSA-N 309.410 -0.253 30 20 DBED O=C(C#CC1CC1)NCC1(NCC(=O)N2CCOCC2)CCC1 1754979820 DTFRBBNMMUKHGI-UHFFFAOYSA-N 319.405 -0.113 30 20 DBED C#CCN[C@]1(CO)CCCN(C(=O)c2cnn3c2OCCC3)C1 1755085804 MIJIJCCCXIXNAO-MRXNPFEDSA-N 318.377 -0.145 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)c2cccnn2)C[C@@H]1C 1755118301 PFEBPWVDSAMWLY-WCQYABFASA-N 303.366 -0.171 30 20 DBED CC#CCNCC1(O)CCN(C(=O)C(=O)NCC2CC2)CC1 1755154631 DICLUONDHQMFEK-UHFFFAOYSA-N 307.394 -0.521 30 20 DBED C#CCCNCC1(O)CCN(C(=O)c2cn(C)c(=O)n2C)CC1 1755155501 BZVCKBXVGPOYCB-UHFFFAOYSA-N 320.393 -0.696 30 20 DBED C[C@@H]1C[C@H](NC(=O)c2cccnn2)CCN1CC(=O)NCC#N 1755168015 WAVFANAMWQZARJ-VXGBXAGGSA-N 316.365 -0.301 30 20 DBED C=C(C)CN[C@@H](C)[C@H](C)NC(=O)CCn1cc[nH]c(=O)c1=O 1755260198 NCTYNJUFIOHJDW-RYUDHWBXSA-N 308.382 -0.014 30 20 DBED C=CCn1cc(C(=O)N(C)C[C@@H](C)NCC(=O)NCC)nn1 1755609093 PDPRIYGCRLAPLA-LLVKDONJSA-N 308.386 -0.350 30 20 DBED C#CCNC(=O)CN[C@@H](C)CN(C)C(=O)[C@]1(C)CCCOC1 1755610714 IWHCMDYKAOBHEG-XJKSGUPXSA-N 309.410 -0.011 30 20 DBED C#CCCN[C@@H]1C[C@H](C)N(C(=O)COCc2nncn2C)C1 1755690045 MCYWHLCNZJABQY-QWHCGFSZSA-N 305.382 -0.066 30 20 DBED C=CCNC(=O)[C@H](C)NC[C@@H](O)CN(C)C(=O)c1ncc[nH]1 1755777434 JWDGYCDREZMTEE-WDEREUQCSA-N 309.370 -0.877 30 20 DBED C#CCCNC[C@H](O)CN(C)C(=O)[C@H](C)CN1CCOCC1 1755796845 UGGHYIJTRXXYCC-CABCVRRESA-N 311.426 -0.613 30 20 DBED C#CCN(C)C[C@@H](O)CN(C)C(=O)[C@@H](C)CS(C)(=O)=O 1755807464 HKUWLRPVOCCPOK-NWDGAFQWSA-N 304.412 -0.949 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@H](C)N(C)C(=O)Cc1n[nH]c(C)n1 1756021868 YRUYVHUERVDITP-MEBBXXQBSA-N 323.397 -0.054 30 20 DBED C=CCCC(=O)N[C@H](C)C1CN(C(=O)C2CC(=O)NC(=O)C2)C1 1756130337 OBADXQHQXGNEQU-SNVBAGLBSA-N 321.377 -0.032 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC([C@H](C)NC(=O)Cn2cncn2)C1 1756161972 ZEWGZSRKQRJCNY-NHYWBVRUSA-N 321.381 -0.432 30 20 DBED C#CCCCC(=O)N[C@@H](CO)CNC(=O)Cc1cc(C)on1 1756509720 VULUPWHZSGXZFP-CYBMUJFWSA-N 307.350 -0.078 30 20 DBED C=CCOCC(=O)N[C@H](CO)CNC(=O)c1cnnc(C)c1 1756515115 FWIWEEXVWMIXHE-LBPRGKRZSA-N 308.338 -0.805 30 20 DBED CC(=O)NC(C)(C)C(=O)NC[C@H](O)CN(C)C(=O)C#CC1CC1 1756663246 SUZOYOPAFWWAGB-ZDUSSCGKSA-N 323.393 -0.750 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@H](NC(=O)c2cnnn2C)[C@H]1C 1757508580 CGMQIWRCUZDUEG-WOPDTQHZSA-N 319.365 -0.427 30 20 DBED COC(=O)CCN(CC(=O)O)S(=O)(=O)c1ccoc1C#N 1777105295 PLLBGDFONWFAMD-UHFFFAOYSA-N 316.291 -0.210 30 20 DBED C=CCC(F)(F)C(=O)N1CC[C@@]2(CN(C(=O)CN)CCO2)C1 1783194542 ACGCECSDLROOLI-CYBMUJFWSA-N 317.336 -0.014 30 20 DBED C#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)=O)C[C@@H]21 1792171871 RVHYXZXRHWSKPT-IHRRRGAJSA-N 306.362 -0.032 30 20 DBED C#CCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1C[C@H](O)CN1 1799923716 GRNVBHROROWFLD-AICCOOGYSA-N 319.405 -0.239 30 20 DBED CCC(=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)S)C2 1800478974 LIYAEOWRKAGCIY-GUDRVLHUSA-N 314.407 -0.127 30 20 DBED O=C1C[C@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C#CC2CC2)CN1 1847746490 CMLMKTNBZDUZIX-IHRRRGAJSA-N 315.373 -0.262 30 20 DBED C#CCNC(=O)COC(=O)c1cccc(S(=O)(=O)N(C)C)c1 7895377 YKZZGVCEQDCHRM-UHFFFAOYSA-N 324.358 -0.157 30 20 DBED CC(C)[C@](C)(C#N)NC(=O)CN1CCN(CC(=O)N(C)C)CC1 32543058 NDXCGRCTRCOWBZ-INIZCTEOSA-N 323.441 -0.253 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(CCCC(=O)OC)c1=O 117108924 LKJJNXIETBXAQN-UHFFFAOYSA-N 309.322 -0.503 30 20 DBED N#Cc1cccc(CS(=O)(=O)NC[C@H]2CN3CCN2CC3)c1 179058919 WQIJLKGGDWOUKW-HNNXBMFYSA-N 320.418 -0.023 30 20 DBED C=CCNC(=O)CNC(=O)NC[C@@H](C(C)C)N1CCOCC1 180304015 KFVRZINJCAGMTI-ZDUSSCGKSA-N 312.414 -0.055 30 20 DBED Cn1c(N[C@@H]2CCCC[C@@H]2C(N)=O)c(C#N)c(=O)n(C)c1=O 268468530 MCKGJBBCWSLLEQ-WCBMZHEXSA-N 305.338 -0.588 30 20 DBED COC(=O)C[C@H]1C(=O)NCCN1C[C@@H](O)c1ccc(C#N)cc1 268653401 GTYFFAXZGZZDJS-UONOGXRCSA-N 317.345 -0.045 30 20 DBED CCOC(=O)[C@H](C)[C@H](C)Nc1c(C#N)c(=O)n(C)c(=O)n1C 274655439 HYGJKJFEKTZFCV-BDAKNGLRSA-N 308.338 -0.045 30 20 DBED N#Cc1cc(NC(=O)C(=O)N(CCO)CCCO)ccc1F 275911360 LINAIDTYEIUTQI-UHFFFAOYSA-N 309.297 -0.161 30 20 DBED COc1nccc(N=C(O)N2CC[C@@]3(C2)N=C(O)N(C)C3=O)n1 328736808 JXUOAFPDWRUUBV-ZDUSSCGKSA-N 320.309 -0.139 30 20 DBED CN1CC[C@H](N(C)/C(O)=N/[C@@H]2CCCS(=O)(=O)C2)C1=O 329388039 RENWMBQTLIIWIW-ZJUUUORDSA-N 303.384 -0.360 30 20 DBED CN(C[C@H](O)CN1CCOCC1)C(O)=Nc1cnns1 330271952 WVELOVWWMYNGSU-VIFPVBQESA-N 301.372 -0.292 30 20 DBED CCS(=O)(=O)N(C)CCC/N=C(/O)N[C@H]1CCCNC1=O 330435587 MGZXJNBLPDCOIR-JTQLQIEISA-N 320.415 -0.560 30 20 DBED CC(C)N(C)C(=O)[C@@H]1CSCN1C(=O)Cn1cnc(C#N)n1 331152575 OHFCFXABHLMSDT-JTQLQIEISA-N 322.394 -0.082 30 20 DBED COCCN(CCC#N)S(=O)(=O)NC[C@H]1CC[C@H](O)C1 337130267 BVYPLXDWUICNTC-RYUDHWBXSA-N 305.400 -0.156 30 20 DBED CCC[C@]1(CO)CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)C1 341960759 RRQWDKOXUBQCOH-STQMWFEESA-N 317.411 -0.060 30 20 DBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CCNC(N)=O 342364587 USQVQHSMRSQGME-JTQLQIEISA-N 317.353 -0.556 30 20 DBED N#CCCCCNC(=O)C(=O)N1CCN(C[C@@H]2CCOC2)CC1 343165329 YVGQVRODTNQKSJ-AWEZNQCLSA-N 322.409 -0.023 30 20 DBED C[C@H](CC#N)N(C)C(=O)CN1CCN(S(C)(=O)=O)CC1 346681028 OBKCEMJQBOGMGU-LLVKDONJSA-N 302.400 -0.676 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H](COC)C2)C1=O 353944944 YCZANQGAJLMASK-LLVKDONJSA-N 323.349 -0.152 30 20 DBED C[C@@H](CCO)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N 359391792 QKXYHLHWRXXBAR-VIFPVBQESA-N 307.354 0.335 30 20 DBED N#Cc1ccc(OCCNC(=O)C(=O)N[C@@H](CN)C2CC2)cc1 419462063 IWCQYSCHZXUEOJ-AWEZNQCLSA-N 316.361 -0.093 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@H](C)[C@@H](CN)C2)C1=O 424012561 JTCDWYOZPVLPIG-MNOVXSKESA-N 322.365 -0.594 30 20 DBED COC(=O)[C@H](NS(=O)(=O)c1cnc(C)c(C#N)c1)[C@H](C)O 489652976 KAQUIFHYKYXXTQ-GZMMTYOYSA-N 313.335 -0.538 30 20 DBED C#CCN1CCN(C(=O)Cn2cc(C(=O)OC)ccc2=O)CC1 490778432 FTRZHUFCZJJHNN-UHFFFAOYSA-N 317.345 -0.588 30 20 DBED N#CCNC(=O)CNC(=O)CCNC(=O)OCC(F)(F)F 496975229 QJYXGGQFMZNYPR-UHFFFAOYSA-N 310.232 -0.579 30 20 DBED C=CCNC(=O)CS(=O)(=O)c1nnc(-c2ccccn2)n1C 507439019 BTWLCSXXCJWSHU-UHFFFAOYSA-N 321.362 -0.047 30 20 DBED Cn1c(=O)c2ccn(CC(=O)NC3(C#N)CC3)c2n(C)c1=O 525288541 WOTRQCOYKLFXFS-UHFFFAOYSA-N 301.306 -0.789 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N1C[C@@](C)(CO)[C@@](C)(CO)C1 528542614 SSWVYRSSGKIXHK-UPJWGTAASA-N 319.427 -0.365 30 20 DBED COC(=O)CCN(C[C@H]1CCCO1)C(=O)Cn1cnc(C#N)n1 532029220 AHONGDQDMBGDCR-LLVKDONJSA-N 321.337 -0.280 30 20 DBED N#CCC(=O)N1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]32)CC1 566440997 YJJBLRKKRMXTSY-OUCADQQQSA-N 307.350 -0.378 30 20 DBED CC(C)NS(=O)(=O)CCNC(=O)N1CC[C@](O)(CC#N)C1 591936043 OKAHIJIQVKCZIY-GFCCVEGCSA-N 318.399 -0.626 30 20 DBED N#Cc1ccc(CCNC(=O)NCC(=O)N2CCNCC2)cc1 595268188 RZKGIDKTXKFAOZ-UHFFFAOYSA-N 315.377 -0.168 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@@H](O)CC(=O)OC 599463014 UQTCJIFCSHOZAU-UWVGGRQHSA-N 307.372 -0.774 30 20 DBED COCCN(C)CCN1C[C@@H](Nc2ccc(C#N)nn2)CC1=O 601177875 BWCFWUSFZPJNPW-ZDUSSCGKSA-N 318.381 -0.061 30 20 DBED C[C@@H](C#N)CNC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 609525806 ZCHPPAMACWMITE-STQMWFEESA-N 308.382 -0.557 30 20 DBED C=CCC[C@@H](CO)NC(=O)[C@H]1CCCN(S(N)(=O)=O)C1 616101958 ULHKSAHJPWVXLO-QWRGUYRKSA-N 305.400 -0.655 30 20 DBED C=C(C)CN1CCC(NC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)CC1 668370290 SPAZTWDOJOVDRA-RBSFLKMASA-N 310.394 -0.444 30 20 DBED COc1nc(N(C)C)sc1C=NNC(=S)NCC(N)=O 731930191 QXZWYFPJFKXLNT-UHFFFAOYSA-N 316.412 -0.499 30 20 DBED C#CCSCCNC(=O)NCC(C)(C)NS(C)(=O)=O 740053166 WXCBOIFUEZBLQC-UHFFFAOYSA-N 307.441 -0.020 30 20 DBED CC#CCCOC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 760290302 XWSHBBDEQYHLPZ-VXGBXAGGSA-N 313.375 -0.021 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)COCc1ccnn1C 792499204 USMYNILDKFUUJY-SNVBAGLBSA-N 324.337 -0.120 30 20 DBED C#CCC[C@@H](O)CNC(=O)c1coc(S(=O)(=O)NC)c1 799078632 DHLFOILQFATYJV-SNVBAGLBSA-N 300.336 -0.308 30 20 DBED C=CCN1CCC(NC(=O)C(=O)N2CC(=O)N(C)C[C@H]2C)CC1 804890113 MDHMCNUVHIXOCX-GFCCVEGCSA-N 322.409 -0.558 30 20 DBED CCCc1nnc(S)n1N=Cc1cn(C)c(=O)n(C)c1=O 808007398 BUEOFXUFZTYIBD-UHFFFAOYSA-N 308.367 -0.201 30 20 DBED C#CCCS(=O)(=O)NCCNS(=O)(=O)c1ccccc1 808279900 AEMOCTLLQISSOH-UHFFFAOYSA-N 316.404 -0.092 30 20 DBED CS(=O)(=O)N(CC(=O)NCC(=O)O)c1ccc(C#N)cc1 820891027 USRABADNYOTNDZ-UHFFFAOYSA-N 311.319 -0.475 30 20 DBED N#CCN(CC(=O)O)C[C@H](O)CN1C(=O)c2ccccc2C1=O 833067822 YQDWUDAWRAFODR-JTQLQIEISA-N 317.301 -0.446 30 20 DBED Cc1nc2cc(O)nn2c(C)c1CC(=O)N[C@H]1CNC[C@@H]1C#N 834483984 BZPNJRZWIHTMFV-JQWIXIFHSA-N 314.349 -0.178 30 20 DBED N#C[C@@]1(F)CCN(C(=O)C(F)(F)C(=O)N2CCOCC2)C1 836206468 GGGKETNXWSVBNY-NSHDSACASA-N 305.256 -0.055 30 20 DBED C#CCCN1CCN(C(=O)[C@H]2CCc3nnnn3CC2)CC1 845364283 ZAKVGGJQDATIKJ-ZDUSSCGKSA-N 302.382 -0.207 30 20 DBED C=C[C@H](C)ONC(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1 846547564 PAXKWNYFPGYRCA-DTWKUNHWSA-N 302.356 -0.291 30 20 DBED C#CCNS(=O)(=O)N1CCN(Cc2conc2CC)CC1 851873693 JOJUIIWREMDQKD-UHFFFAOYSA-N 312.395 -0.178 30 20 DBED C#CCN(CC(=O)NCc1nnnn1C)C(=O)OC(C)(C)C 857185416 VAMWLHUKICQLND-UHFFFAOYSA-N 308.342 -0.303 30 20 DBED CN(C)CC#CCNC(=O)Cc1ccc(S(N)(=O)=O)s1 913516900 LAERUELGKXVOOC-UHFFFAOYSA-N 315.420 -0.381 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2OCCO[C@H]2C)CC1 932038877 NVMJRKPQMMYZRU-ZFWWWQNUSA-N 323.393 -0.926 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](NC(=O)c2coc(C(N)=O)c2)C1 941635203 MDOJVCGGXBIWCK-PSASIEDQSA-N 304.306 -0.131 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)CC(N)=O)C2)nc1 941875038 QXQCGBIFAKJODL-LLVKDONJSA-N 300.318 -0.731 30 20 DBED C[C@H](C#N)C(=O)N1CCCN(C(=O)[C@]2(C)CCC(=O)N2)CC1 942152614 CADUOTCJSKFLRF-ABAIWWIYSA-N 306.366 -0.124 30 20 DBED CC#CCN1CC[C@H](NC(=O)Cn2nc(C)n(C)c2=O)[C@@H](C)C1 944533317 PIJADUMYQPDEDJ-JSGCOSHPSA-N 319.409 -0.260 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2[C@H]3C[C@H]2N(C(=O)c2nnn(C)n2)C3)C1 948000200 LXQBCKRDWWMHQT-HBNTYKKESA-N 316.365 -0.105 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2CCN2C(=O)[C@H](C)C#N)nn1 950053056 OWGDVFLFSAGTQL-MNOVXSKESA-N 302.338 -0.046 30 20 DBED CC#CCN1CC(N(CC)C(=O)[C@H]2CCN(C)S2(=O)=O)C1 952446640 SVSUCMINHFBFNL-CYBMUJFWSA-N 313.423 -0.424 30 20 DBED C=CCN1C[C@H](CNC(=O)c2cnc3[nH]c(O)nc3c2)[C@@H](O)C1 958195610 HVGJLBZSKINULA-JQWIXIFHSA-N 317.349 -0.128 30 20 DBED CCc1cc(C(=O)NC[C@@H]2CN(CC#N)C[C@@H]2O)cc(O)n1 958267371 MXCMLNDCSHMQAW-YPMHNXCESA-N 304.350 -0.104 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2ccc3nc(O)[nH]c3n2)C1 958345717 QWJFQTUHVSVGAZ-BXKDBHETSA-N 315.333 -0.681 30 20 DBED C#CCN1C[C@H](CNC(=O)c2nnn(C(C)C)c2C)[C@@H](O)C1 958548370 PIRLTGOMDRYIGM-STQMWFEESA-N 305.382 -0.177 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cccnn2)C1 958939150 RXVNBWFNQDCYEO-USWWRNFRSA-N 303.322 -0.720 30 20 DBED Cc1nonc1C(=O)N1CCO[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]21 960577967 KZBHUYOSZUUOGW-DVVUODLYSA-N 319.321 -0.411 30 20 DBED C=CCN1C[C@H]2[C@H](NC(=O)[C@H]3CCc4nnc(O)n4C3)[C@H]2C1 960654060 KUMLWJIJOFAMPM-MEWQQHAOSA-N 303.366 -0.222 30 20 DBED C=C(Cl)CN1C[C@@H]2C(NC(=O)c3nnc(O)nc3O)[C@H]2C1 960838265 ODSQAUYFWNHLCB-BQBZGAKWSA-N 311.729 -0.305 30 20 DBED C#Cc1ccc(C(=O)NC2[C@@H]3CN(CC(=O)N(C)C)C[C@@H]23)cn1 962324911 GRHSXISYSZCLLQ-ZIAGYGMSSA-N 312.373 -0.189 30 20 DBED Cc1nc[nH]c1C(=O)N1CCOC2(C1)CN(C(=O)[C@H](C)C#N)C2 965417916 FCWQKNZTEQIBOR-SNVBAGLBSA-N 317.349 -0.069 30 20 DBED C[C@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)C[C@H]1CCNC1=O)C2 969812237 WFAMYMNFQRTUHS-NDBYEHHHSA-N 318.377 -0.126 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@]2(CN(CCn3cncn3)CCO2)C1 972298192 RBNMBUMAHFMRRT-ZFWWWQNUSA-N 318.381 -0.259 30 20 DBED C[C@H](C(=O)N1CC[C@]2(CN(CC#N)CCO2)C1)S(C)(=O)=O 972435528 ODRRCAIYPSDDOM-YPMHNXCESA-N 315.395 -0.754 30 20 DBED Cn1cc(C(=O)N2CC[C@]3(CN(CC#N)CCO3)C2)ncc1=O 972471896 PWYGTTXBTACNBN-HNNXBMFYSA-N 317.349 -0.779 30 20 DBED C=CCN1CCO[C@@]2(CCN(C(=O)[C@@H]3CN(C)C(=O)N3)C2)C1 972506030 XNEFQEPKZHMSLD-WFASDCNBSA-N 308.382 -0.501 30 20 DBED N#Cc1cc(C(=O)N[C@H]2C[C@H](NC(=O)c3cnon3)C2)c[nH]1 973188751 FYURHJXLTYEIDU-KYZUINATSA-N 300.278 -0.040 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)[C@@H]3CN(C)CCO3)[C@H]2C1 976311183 NFIVUPONNIASPL-BNDIWNMDSA-N 306.366 -0.950 30 20 DBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)C(N)=O 977771933 DMAFGSUADKXVEV-AVGNSLFASA-N 323.393 -0.098 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)CC(N)=O 978419415 BOOMNAMDYGWQMP-TUAOUCFPSA-N 309.366 -0.488 30 20 DBED C#Cc1ccc(C(=O)N2CCC[C@@H](N(C)C(=O)C(N)=O)C2)nc1 984448244 YBSWGTYKYBXJTP-GFCCVEGCSA-N 314.345 -0.389 30 20 DBED N#Cc1cc(C(=O)NC2CN(C(=O)CCc3cnn[nH]3)C2)c[nH]1 990934735 GJOFSLNKVJWCRN-UHFFFAOYSA-N 313.321 -0.422 30 20 DBED CC(=O)N1CCC[C@H](C(=O)NC2CN(C(=O)C#CC3CC3)C2)C1 995425134 JOFPKXMKYHQHOV-AWEZNQCLSA-N 317.389 -0.015 30 20 DBED C#Cc1cncc(C(=O)NC[C@@H]2C[C@H](C)N(C(=O)C(N)=O)C2)c1 1010294895 KIUKPZQQJDIBBJ-JQWIXIFHSA-N 314.345 -0.485 30 20 DBED C[C@@H](C#N)C(=O)N1CCCC2(CN(C(=O)Cn3cnnn3)C2)C1 1010531108 SNRLCBZUJYEIMP-NSHDSACASA-N 317.353 -0.716 30 20 DBED CC(C)(C(N)=O)C(=O)N1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 1011028459 ZDGJLCCISMLYRR-UHFFFAOYSA-N 317.349 -0.318 30 20 DBED N#CCN[C@H]1C[C@H](NC(=O)c2cnc3c(c2)NC(=O)CO3)C1 1020356371 KBHFRZUTMVGVQU-MGCOHNPYSA-N 301.306 -0.214 30 20 DBED C[C@H]1[C@@H](NC(=O)Cn2cnnc2O)CCN1C(=O)[C@H](C)C#N 1020535666 OCDCNJIVUMMSQM-UTLUCORTSA-N 306.326 -0.751 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCOC3)C[C@H]2O)[nH]1 1023429369 QVHNATSIVQIWDJ-OASPWFOLSA-N 318.333 -0.776 30 20 DBED C#CCN[C@@H]1CC[C@H]2CN(C(=O)c3cnc(O)n(C)c3=O)C[C@@H]21 1026326929 UTGHEKGEYMDFGW-WCFLWFBJSA-N 316.361 -0.441 30 20 DBED C#CCN1CC[C@H](CNC(=O)[C@H]2CCc3nnc(O)n3C2)C1 1028640044 IGDIUAOVLWAVQW-NEPJUHHUSA-N 303.366 -0.383 30 20 DBED C#CCCN1[C@H]2CC[C@H]1CN(C(=O)CC[C@H]1NC(=O)NC1=O)C2 1029576924 XFXULEHBCIOHEB-RWMBFGLXSA-N 318.377 -0.327 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)c3nn(C)cc3C)C2)C1=O 1030296413 XTKMKHMTEONRSW-CYBMUJFWSA-N 317.393 -0.071 30 20 DBED CC#CCN1CC[C@H](N(CC)C(=O)[C@H]2CCS(=O)(=O)N2)C1 1034042633 AGPFFWRUBLKAJY-QWHCGFSZSA-N 313.423 -0.376 30 20 DBED CC1(C)C(=O)NC(=O)N1CC(=O)N[C@H]1CCCCN(CC#N)C1 1034471364 HUSMBGNMBILOSA-NSHDSACASA-N 321.381 -0.189 30 20 DBED N#CCN1CC[C@@H]2CN(C(=O)Cn3c(O)nnc3O)CC[C@H]21 1036879791 UREJCXFMYSCUKE-NXEZZACHSA-N 306.326 -0.864 30 20 DBED C#CCCCC(=O)NC[C@]1(O)CCN(C(=O)c2nonc2C)C1 1039579247 DYQKVVFMJYVVJR-OAHLLOKOSA-N 320.349 -0.125 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)CCn2ccnc2)C1 1040397367 STJCAYAMWJWLJW-WFASDCNBSA-N 319.365 -0.488 30 20 DBED C=C(C)C[C@H](C)C(=O)NC[C@@]1(O)CCN(C(=O)CC(N)=O)C1 1040626390 REFXRHIBMSVKKH-NHYWBVRUSA-N 311.382 -0.456 30 20 DBED C#CCOCCC(=O)N1CC[C@@](O)(CNC(=O)[C@@H](C)C#N)C1 1040759233 GGHBFPUARCLMPN-SWLSCSKDSA-N 307.350 -0.734 30 20 DBED COCC(C)(C)C(=O)N1CC[C@@](O)(CNC(=O)[C@H](C)C#N)C1 1040765072 FMEROJCDKCWFDD-IAQYHMDHSA-N 311.382 -0.102 30 20 DBED Cc1cncn1CC(=O)N1CC[C@@](O)(CNC(=O)[C@H](C)C#N)C1 1040766356 OMDHPPMJRIZPBJ-IAQYHMDHSA-N 319.365 -0.569 30 20 DBED C[C@H](C(=O)N1CC[C@]2(CCN(CC#N)C2)C1)N1C(=O)CCC1=O 1041338762 KUIUBCPPHWTGCN-WBMJQRKESA-N 318.377 -0.028 30 20 DBED COCCCC(=O)NCC1(O)CN(C(=O)CSCC#N)C1 1041666846 AZXCUHIVFLDDLD-UHFFFAOYSA-N 315.395 -0.641 30 20 DBED Cc1ncncc1C(=O)NCC1(O)CN(C(=O)[C@@H](C)C#N)C1 1041679672 ZITZAIAMSFWCCC-VIFPVBQESA-N 303.322 -0.752 30 20 DBED CN1C(=O)CN(CC(=O)N2CC[C@]3(CCN(CC#N)C3)C2)C1=O 1041786880 WPJMXXZULQFFSA-HNNXBMFYSA-N 319.365 -0.672 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(O)(CNC(=O)[C@@H]2CCOC2)C1 1041879140 XWMPRONDTQSVFQ-BXUZGUMPSA-N 312.366 -0.961 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)c2nocc2C)C1 1042047722 XPYAFTUWANVRBL-UHFFFAOYSA-N 309.322 -0.511 30 20 DBED N#CCN1CC[C@@H]2CCN(C(=O)CN3C(=O)CCC3=O)C[C@@H]21 1042346003 OOCCCYCKANPVGJ-NEPJUHHUSA-N 304.350 -0.418 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)CO[C@@H](C)CC)C1 1042612272 GLSIBCGDWRSXDZ-LBPRGKRZSA-N 314.382 -0.306 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(O)CN(C(=O)/C=C\C2CC2)C1 1042807503 VAYVWJHQQYZFSS-IDTUSYRASA-N 308.378 -0.031 30 20 DBED O=C(C#CC1CC1)NCC1(O)CN(C(=O)[C@H]2C[C@H]3C=C[C@H]2O3)C1 1042963823 WNNOTOKLOXKSFS-HZSPNIEDSA-N 316.357 -0.567 30 20 DBED C=CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)Cc2ncc[nH]2)C1 1043571434 OYUWSWLQYHSJJM-LLVKDONJSA-N 322.365 -0.767 30 20 DBED N#Cc1nccnc1N1C[C@H](O)[C@H](NC(=O)c2ccncc2)C1 1043823551 MVGNXXDAUHGHRV-OLZOCXBDSA-N 310.317 -0.277 30 20 DBED C#CCCN1CC(N(C)C(=O)CN2C(=O)NC(C)(C)C2=O)C1 1044262460 QCUMZELVOFNSSX-UHFFFAOYSA-N 306.366 -0.517 30 20 DBED C=C(C)C(C)(C)C(=O)NCC1(O)CN(C(=O)c2cnn(C)n2)C1 1044405243 VCVZGUZZDJTGBQ-UHFFFAOYSA-N 321.381 -0.280 30 20 DBED C=C[C@@H](C)[C@@H](C)C(=O)NCC1(O)CN(C(=O)Cn2nccn2)C1 1044979576 GUPBQHAKYUFBCA-VXGBXAGGSA-N 321.381 -0.574 30 20 DBED C=CCCCC(=O)NCC1(O)CN(C(=O)[C@@]2(C)CCNC2=O)C1 1045459220 ZBTOTKLMAXTFPR-HNNXBMFYSA-N 323.393 -0.442 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)c2ccccc2O)C1 1045541557 XHWFERSTRIALLZ-SNVBAGLBSA-N 303.318 -0.145 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)CCCn2cccn2)C1 1045555317 PTPCGXLTRLFOHN-LBPRGKRZSA-N 319.365 -0.488 30 20 DBED C#CCN1[C@H]2CC[C@H]1CN(C(=O)Cn1nc(C)n(C)c1=O)CC2 1045884512 FJXPGLIODUPYOW-KBPBESRZSA-N 317.393 -0.411 30 20 DBED CC(=O)N1CC(C(=O)N2CCN([C@H]3CCN(CC#N)C3)CC2)C1 1046024116 FSZZRTKKJJPSKJ-HNNXBMFYSA-N 319.409 -0.793 30 20 DBED Cn1cncc1CC(=O)N1CCN([C@H]2CCN(CC#N)C2)CC1 1046076705 PAMNHXUNYLOEOK-AWEZNQCLSA-N 316.409 -0.295 30 20 DBED COCCN1C[C@H](C(=O)N[C@@]2(C)CCN(CC#N)C2)CC1=O 1046365322 MSYUBFKLIHPBMJ-DOMZBBRYSA-N 308.382 -0.415 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@]23CCOC3)C1 1046583846 IMNOYLHSFNIUKD-BBRMVZONSA-N 320.389 -0.094 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)[C@H]2CN(C)C[C@@H]2C)C1 1046684990 OEMDPJLQJCNCEA-KBPBESRZSA-N 321.421 -0.323 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCNC(=O)C2)C1 1047345493 PKIGKKUQBFPSQY-SRVKXCTJSA-N 315.801 -0.231 30 20 DBED C=CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCN(C(N)=O)C2)C1 1047449636 IWOYCVCDXSEBAR-IHRRRGAJSA-N 324.425 -0.143 30 20 DBED CN(C)c1ccnc(C(=O)N(C)[C@H]2CN(CC#N)C[C@@H]2O)c1 1047646066 VMVKTTAEXONMFC-KBPBESRZSA-N 303.366 -0.212 30 20 DBED CN(C(=O)c1cc[nH]n1)[C@H]1CN(C(=O)CSCC#N)C[C@@H]1O 1048327658 PRROTFMSYCLZLA-QWRGUYRKSA-N 323.378 -0.690 30 20 DBED C=C[C@](C)(O)CC(=O)N(C)[C@H]1CN(C(=O)c2cc[nH]n2)C[C@@H]1O 1048757733 MFNGQAWBHDHRNT-HUBLWGQQSA-N 322.365 -0.620 30 20 DBED C#CCOCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H](F)CC)C1 1049204709 YSIZCYVKPMCKAW-AGIUHOORSA-N 314.357 -0.196 30 20 DBED CC(=O)N1CCO[C@H](C(=O)N2CCC[C@@H]3[C@H]2CCN3CC#N)C1 1049871213 PTYFGDIQDBNXOL-KFWWJZLASA-N 320.393 -0.177 30 20 DBED N#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H]1CC(=O)NC1=O 1049933336 KNCJUOPNFYULOG-IJLUTSLNSA-N 304.350 -0.372 30 20 DBED CC#CCN1C[C@@H]2CCCN(C(=O)CN3C(=O)CNC3=O)[C@@H]2C1 1050198647 UNVDXBNEFSKEDS-QWHCGFSZSA-N 318.377 -0.516 30 20 DBED COCCn1ncc(C(=O)NC[C@@H]2COCCN2CC#N)c1C 1050916203 AFSOOYYLLZFVSG-CYBMUJFWSA-N 321.381 -0.208 30 20 DBED C#CCCN1CCOC[C@H]1CNC(=O)c1ccc(=O)n(CC)n1 1051172069 DQKRWXXNZDXWCD-CYBMUJFWSA-N 318.377 -0.283 30 20 DBED C=CCOCCCC(=O)N[C@H](C)[C@@H]1CCN(C(=O)C(N)=O)C1 1051468852 ISXXVTUFVLKIAE-VXGBXAGGSA-N 311.382 -0.192 30 20 DBED C=CCN1CCN([C@H]2CCN(C(=O)[C@H]3CCC(=O)N3)C2)CC1 1051998307 RMINXNAGMPYKSO-UONOGXRCSA-N 306.410 -0.331 30 20 DBED COC(=O)NCC(=O)N1C[C@H](C)[C@H](CNC(=O)C#CC2CC2)C1 1052110387 RUFNWBAZSDJDPO-WCQYABFASA-N 321.377 -0.034 30 20 DBED C=CCCn1cc(C(=O)N[C@@H]2CCCN(CC(N)=O)CC2)nn1 1052778135 HPAJQXKLHXXETE-GFCCVEGCSA-N 320.397 -0.076 30 20 DBED O=C(C#CC1CC1)N1CCOC2(CN(CC(=O)N3CCC3)C2)C1 1053249816 DAUARXJMNZHSRC-UHFFFAOYSA-N 317.389 -0.455 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)C(=O)N1CC[C@H](C)C1)CCO2 1053503888 DRZAZYPVIYUWCZ-AWEZNQCLSA-N 319.405 -0.209 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)c3cnc4n3CCC4)CO2)C1 1053833142 UMASXBBFFDDFBC-NSHDSACASA-N 301.350 -0.074 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)CN3C(=O)CCC3=O)CO2)C1 1054004597 RGTNSCSSCLJMGF-LBPRGKRZSA-N 319.361 -0.882 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)c3noc4c3COCC4)CO2)C1 1054013978 FLLVZRSVWMIGJN-SNVBAGLBSA-N 318.333 -0.156 30 20 DBED C#CCOCCC(=O)N1CCC[C@](CO)(NC(=O)COC)C1 1055705048 FMIBNBOCXCGIID-HNNXBMFYSA-N 312.366 -0.858 30 20 DBED CN1CC[C@@H](C(=O)N2CCN(c3ccc(C#N)nn3)CC2)C1 1055818786 YAYOZUAZYFTCMQ-GFCCVEGCSA-N 300.366 -0.051 30 20 DBED N#Cc1nccc(N2C[C@H]3C(NC(=O)Cc4nc[nH]n4)[C@@H]3C2)n1 1056298015 SAXXPGNWBMKVEB-RKDXNWHRSA-N 310.321 -0.740 30 20 DBED N#Cc1cncc(N2C[C@H]3C(NC(=O)[C@H]4C[C@H]4C(N)=O)[C@@H]3C2)n1 1056406152 BFPYULHBAQFUBA-LMLFDSFASA-N 312.333 -0.980 30 20 DBED N#Cc1cnc(N[C@@H]2CCN(C(=O)[C@@H]3CCNC(=O)C3)C2)cn1 1056599985 XKDVFXVLGVIWAE-GHMZBOCLSA-N 314.349 -0.113 30 20 DBED C=CCCO[C@@H](C)C(=O)N1CCC[C@H]2CN(C(=O)C(N)=O)C[C@H]21 1056621163 PCKFCBRALANZHU-RWMBFGLXSA-N 323.393 -0.098 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)c1cccnc1 1056807011 LYEMPCYAGOZYDZ-UHFFFAOYSA-N 307.350 -0.165 30 20 DBED N#Cc1nccnc1N[C@@H]1CCN(C(=O)[C@H]2CCC(=O)NC2)C1 1056817768 GTRPMTFJRBUFNS-WDEREUQCSA-N 314.349 -0.113 30 20 DBED N#Cc1cncc(N[C@@H]2CCN(C(=O)[C@H]3CCC(=O)NC3)C2)n1 1056817852 JZFPWDDUUUPNTO-WDEREUQCSA-N 314.349 -0.113 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)c1cncnc1C 1057082546 WJQDHVFGZIEPLU-UHFFFAOYSA-N 322.365 -0.462 30 20 DBED Cc1cc(=NCC2CCN(C(=O)C(N)=O)CC2)c(C#N)c[nH]1 1057533960 HJGHQLHMAPAJOU-UHFFFAOYSA-N 301.350 -0.181 30 20 DBED CCC(=O)N[C@@H](C)C(=O)NCCN(CCO)C(=O)C#CC1CC1 1057537410 CNTYXEXRWIXMOT-LBPRGKRZSA-N 323.393 -0.748 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)c1cn(C)ccc1=O 1058211016 KQTZXNXTBUKOMD-LLVKDONJSA-N 320.349 -0.904 30 20 DBED N#Cc1ccc(N2CC[C@H](NC(=O)Cn3cnnc3O)C2)nc1 1058321217 USNLFUZYAJHUBY-NSHDSACASA-N 313.321 -0.355 30 20 DBED C=CCOCC(=O)N1CC[C@H](CCNC(=O)c2nc[nH]n2)C1 1059337498 JLVNUXVKRIVUCP-NSHDSACASA-N 307.354 -0.024 30 20 DBED C=CCOCC(=O)N1CC[C@H](CCNC(=O)[C@@H]2CCC(=O)N2)C1 1059338164 ZAWQJVFWWAUOCJ-STQMWFEESA-N 323.393 -0.178 30 20 DBED N#Cc1cncc(N[C@H]2C[C@@H](NC(=O)CN3CCOCC3)C2)n1 1059600784 PSCQYSSCTIPTNI-TXEJJXNPSA-N 316.365 -0.260 30 20 DBED CC(C)C#CC(=O)N1CC[C@@H](CCNC(=O)CNC(N)=O)C1 1059609366 VTEHMFUDPQAAOV-GFCCVEGCSA-N 308.382 -0.331 30 20 DBED COC[C@@H](OC)C(=O)N1CCOC[C@@H]1CNC(=O)C#CC1CC1 1061572279 RWQNRXQWKKASBG-UONOGXRCSA-N 324.377 -0.595 30 20 DBED CCCN(C)CC(=O)NC[C@@H]1COCCN1C(=O)[C@H](C)C#N 1061740756 FWWMZFRDDKCTMA-CHWSQXEVSA-N 310.398 -0.169 30 20 DBED C#CCCCCCC(=O)N1CCOC[C@H]1CNC(=O)C(N)=O 1061838131 ZEULXOBFBMVCHI-GFCCVEGCSA-N 309.366 -0.601 30 20 DBED N#Cc1ccc(N2[C@H]3CC[C@H]2CN(C(=O)Cn2cnnn2)C3)cn1 1061908973 BSANNAAVOQZMPM-KBPBESRZSA-N 324.348 -0.180 30 20 DBED N#Cc1ccc(N2C[C@@H]3C[C@H]2CN3C(=O)CCc2nc[nH]n2)nn1 1062471857 KDTQVYODZFYZIS-RYUDHWBXSA-N 324.348 -0.111 30 20 DBED C#CCO[C@@H](C)C(=O)NC1(CNC(=O)[C@H](C)NC(N)=O)CCC1 1062847752 JHWUYAHONDEJCC-QWRGUYRKSA-N 324.381 -0.763 30 20 DBED CN(C(=O)[C@@H]1CNC(=O)N1)[C@@H]1CCN(c2cncc(C#N)n2)C1 1063025183 RTIGKQKJMHBYOA-MNOVXSKESA-N 315.337 -0.933 30 20 DBED C[C@@H]1C[C@@H](N=c2cc[nH]c(C#N)n2)CCN1C(=O)c1nc[nH]n1 1064793937 ZIKQLPSLXBFHBI-ZJUUUORDSA-N 312.337 -0.007 30 20 DBED C=CCOCC(=O)N1CCO[C@H](CNC(=O)[C@H](O)C(C)C)C1 1064969446 DDMCJUKWFZWMNN-TZMCWYRMSA-N 314.382 -0.451 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H]1CN(C(=O)c2ncc[nH]2)CCO1 1065124620 OZYOZRJUZJWGEY-VXGBXAGGSA-N 320.349 -0.595 30 20 DBED C=CCO[C@H](C)C(=O)NC[C@@H]1CN(C(=O)c2cnn[nH]2)CCO1 1065328738 XTXPSMDEIOYVRH-GHMZBOCLSA-N 323.353 -0.647 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)Cc2nc[nH]n2)CCO1 1065641333 ALJYLUUBDLOCMH-LLVKDONJSA-N 307.354 -0.343 30 20 DBED C[C@H](Nc1cncc(C#N)n1)[C@@H]1CCN(C(=O)CC(N)=O)C1 1065685185 VOZRJGNMOBFHNK-VHSXEESVSA-N 302.338 -0.127 30 20 DBED C#CCCCC(=O)N1CCC[C@@H](NC(=O)Cn2ncnn2)CC1 1066202774 SFSIWKRKCAEQIR-CYBMUJFWSA-N 318.381 -0.026 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC[C@H](NC(=O)c2nc[nH]n2)CC1 1066389479 FGLFHJNLEHNOLB-RYUDHWBXSA-N 319.365 -0.046 30 20 DBED N#Cc1cnc(N2C[C@@H](O)[C@@H](CNC(=O)c3cn[nH]c3)C2)cn1 1067652074 UZSXARRVGCUBJM-CMPLNLGQSA-N 313.321 -0.702 30 20 DBED N#Cc1cnc(N[C@@H]2CCC[C@@H]3CN(C(=O)C(N)=O)C[C@H]32)cn1 1069318511 HEWMIKKWTDLHJW-YUSALJHKSA-N 314.349 -0.127 30 20 DBED C#CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2ccnn2C)C1 1069902419 WLKNYFJIQOZGKT-OCCSQVGLSA-N 313.365 -0.310 30 20 DBED N#CCN1C[C@H]2C[C@H]3CN(C(=O)C[C@H]4CCC(=O)N4)C[C@@]3(C1)O2 1070867177 HFGYGYSXLVCMRI-VPWBDBDCSA-N 318.377 -0.520 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)[C@H]2CCC(=O)N2C)CC1 1070991503 VTGUXEJJMHYIIM-CYBMUJFWSA-N 322.409 -0.556 30 20 DBED C[C@H]1CN(C(=O)c2cnn(C)c2N)C[C@@]2(CCN(CC#N)C2)O1 1071158735 ALQQOQFTCPEHDL-NHYWBVRUSA-N 318.381 -0.169 30 20 DBED C#CCN1CC[C@]2(C1)CN(C(=O)Cc1n[nH]c(C)n1)C[C@H](C)O2 1071166868 PBLIITXXYXDXDP-LRDDRELGSA-N 317.393 -0.019 30 20 DBED COC(=O)NCC(=O)N[C@H]1CN(C(=O)C#CC(C)C)C[C@H]1C 1072036683 ZBDNPMHVCKTWIP-NEPJUHHUSA-N 309.366 -0.035 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@H]1CCN(C(=O)C(N)=O)CC1(C)C 1073419099 NEAOSAXTNUIQFW-QWRGUYRKSA-N 311.382 -0.194 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)COCC=C 1076218979 OARXXTIYRUNKFH-LBPRGKRZSA-N 309.366 -0.661 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2ccn(CC(F)(F)F)n2)C1 1077186441 YQFMQKDFECNJCV-NXEZZACHSA-N 317.271 -0.256 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H](C)CCNC(=O)C1(C(=O)NC)CC1 1077340242 VRBSMPHTEACWBJ-RYUDHWBXSA-N 323.393 -0.438 30 20 DBED Cn1nnc(CNC[C@@H]2CN(C(=O)C#CC3CC3)CCCO2)n1 1078397654 BUEXUUYDODMZOS-CYBMUJFWSA-N 318.381 -0.669 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H](C)CCNC(=O)Cc1nc[nH]n1 1078598195 YPOBKMCGERNHOY-WDEREUQCSA-N 309.370 -0.051 30 20 DBED CCN(C(=O)c1ccc(C#N)[nH]1)C1CN(C(=O)CC(=O)NC)C1 1079616124 BWRXJJXEWFCXDE-UHFFFAOYSA-N 317.349 -0.305 30 20 DBED C#CCNC(=O)CC(=O)N(CC)C1CN(C(=O)C(F)F)C1 1079644835 UNIJOCXIPSLYQT-UHFFFAOYSA-N 301.293 -0.550 30 20 DBED CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)[C@H]2CCNC(=O)C2)C1 1080411483 NEPLKCICRINHTI-MNOVXSKESA-N 306.366 -0.268 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)c2cnsn2)C[C@H]1O 1081462794 FNBMIPDEFXOJDL-ZYHUDNBSSA-N 322.390 -0.253 30 20 DBED C=C1CCC(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C(N)=O)C2)CC1 1081719468 RSGMLGVTJXTADG-NWDGAFQWSA-N 309.366 -0.846 30 20 DBED C=C(C)CN1C[C@@H](NC(=O)c2cnc(O)n(C)c2=O)[C@H](OC)C1 1082015523 YQXMLSAESGBLDN-VXGBXAGGSA-N 322.365 -0.509 30 20 DBED C[C@H](C(N)=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cc(C#N)c[nH]1 1083039523 ICASRQNHIAEVGT-JIMOISOXSA-N 317.349 -0.715 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)[C@H]2CNC(=O)c3ccccc32)C1 1083527103 ASFAAOFCHTWAEF-ZNMIVQPWSA-N 315.373 -0.139 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)c2ccc(C(N)=O)s2)C1 1083859000 AODVDHUTWDFAEX-ZJUUUORDSA-N 307.375 -0.355 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)Cc2cn3cccc(C)c3n2)C1 1083862700 RPBIXPOHBAJKAA-CABCVRRESA-N 312.373 -0.020 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)c2cc(N(C)C)ccn2)C1 1084111602 MNAUHANIUUEUNX-CABCVRRESA-N 302.378 -0.054 30 20 DBED C#CCN1CC[C@H](NC(=O)CN2C(=O)CC(C)(C)C2=O)[C@H]1C 1088568117 SNDRFFABXFTRKP-NEPJUHHUSA-N 305.378 -0.016 30 20 DBED CCc1cc(CC(=O)N[C@@H]2CCN(CC#N)C[C@@H]2O)n(C)n1 1090445949 ONEYRBCCIMUNAX-KGLIPLIRSA-N 305.382 -0.400 30 20 DBED C=CCN1CC[C@H](NC(=O)Cn2c(C)cc(C)nc2=O)[C@H](O)C1 1090674095 ORWXLVTYNQSGOV-UONOGXRCSA-N 320.393 -0.402 30 20 DBED COC(=O)c1nccc(N2C[C@H](O)[C@H](NC(=O)[C@@H](C)C#N)C2)n1 1091079282 NKZQBIAYMYQWTC-AEJSXWLSSA-N 319.321 -0.911 30 20 DBED COC(=O)NCC(=O)NC[C@H]1C[C@@H](N=c2cc[nH]c(C#N)n2)C1 1091314869 RPCHJPOLUXNLCD-AOOOYVTPSA-N 318.337 -0.567 30 20 DBED CC(=O)N(C)CC(=O)NC1[C@@H]2CN(c3ccncc3C#N)C[C@@H]12 1093218252 SCIFHEPLFPAEKR-CHWSQXEVSA-N 313.361 -0.018 30 20 DBED CC(=O)N(C)CC(=O)NC1[C@H]2CN(c3ccc(C#N)cn3)C[C@H]12 1093218883 WZKQMXAGTMLSAP-STQMWFEESA-N 313.361 -0.018 30 20 DBED O=C(C#CC1CC1)NC1[C@H]2CN(c3nccn4nnnc34)C[C@H]12 1093263740 PXBAEJGUESOAJV-QWRGUYRKSA-N 309.333 -0.517 30 20 DBED N#Cc1sc(NCCNC(=O)Cn2cnnn2)nc1Cl 1093505699 VLCXGIYNAJJYCJ-UHFFFAOYSA-N 312.746 -0.117 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](C)[C@H](CNCc2nc(=O)n(C)[nH]2)C1 1093679759 ZSKPZLIXGGAVPD-HBNTYKKESA-N 306.370 -0.548 30 20 DBED C#CCOCCC(=O)NCCCNc1ncnc2c1nnn2C 1094593587 DNQIFBQFNYDDQN-UHFFFAOYSA-N 317.353 -0.284 30 20 DBED C#CCCN1CC(N2C[C@@H](NC(=O)c3cnc(C)[nH]3)CC2=O)C1 1094714832 CHCKIEBPLGMZKW-LBPRGKRZSA-N 315.377 -0.244 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)CC3OCCCO3)CC2=O)C1 1094726036 DEJOZSSCGYWJHH-LBPRGKRZSA-N 323.393 -0.273 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](Nc2ccc(C)nn2)C1 1095035395 YOLGLXFMRDAPSD-GFCCVEGCSA-N 301.350 -0.063 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H]1CCN(C(=O)C(=O)NCC(F)F)C1 1095070165 GFIVJLNTHBTIKS-SNVBAGLBSA-N 323.303 -0.231 30 20 DBED CC(=O)NCC(=O)NC1CCN(c2ccnc(C#N)n2)CC1 1095387879 VBHLNKBULZLHIU-UHFFFAOYSA-N 302.338 -0.431 30 20 DBED CN(CCCNC(=O)c1c[nH]c(=O)cn1)c1cncc(C#N)n1 1095715092 FZWGKMLPBHUWRB-UHFFFAOYSA-N 313.321 -0.312 30 20 DBED N#Cc1nccc(N(CCCNC(=O)CC(N)=O)C2CC2)n1 1096017874 LNCLQAIVMIZSHY-UHFFFAOYSA-N 302.338 -0.301 30 20 DBED N#CCSCC(=O)N1CC[C@H](Nc2ccc3nnnn3n2)C1 1096917735 AEKJDALSYZWPRF-VIFPVBQESA-N 318.366 -0.211 30 20 DBED CCc1nc(C#N)cc(N2CCC[C@@H](CNC(=O)C(N)=O)C2)n1 1097340676 VBNIXRGVZMDHKJ-JTQLQIEISA-N 316.365 -0.271 30 20 DBED C[C@H](CNC(=O)[C@@H]1CCNC(=O)C1)Nc1cnc(C#N)cn1 1097774410 QGQQLWMSDIYCIR-NXEZZACHSA-N 302.338 -0.209 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@H](C)Nc1ccc2nnnn2n1 1097794845 TYNPPUDAWHXRDZ-RNCFNFMXSA-N 305.342 -0.237 30 20 DBED C#CCN(CCO)C1CCN(C(=O)[C@H]2COCCN2CC)CC1 1098414818 HAIIMPITNFHUCW-MRXNPFEDSA-N 323.437 -0.374 30 20 DBED C[C@@H](CCNC(=O)Cn1cnnn1)Nc1ccc(C#N)nn1 1098817120 GIIXZQBONNHBID-VIFPVBQESA-N 301.314 -0.658 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2ccccn2)[C@H](O)C1 1099617982 MVFBDMUBXGMPHV-UKRRQHHQSA-N 303.362 -0.104 30 20 DBED CC(C)(C)C#CC(=O)N[C@@H]1CCN(CC(=O)N2CCC2)C[C@@H]1O 1099826889 RQNYLFVIBNJCML-KGLIPLIRSA-N 321.421 -0.180 30 20 DBED Cn1ncc(CN2CC[C@@H](NC(=O)C#CC(C)(C)C)[C@@H](O)C2)n1 1099829757 IBXFDKRHRDAPHM-KGLIPLIRSA-N 319.409 -0.084 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)CCC(=C)C)[C@@H](O)C1 1099855221 DXKKXBKZRPGLDX-KGLIPLIRSA-N 307.394 -0.357 30 20 DBED C=CCCN1CC[C@H](NC(=O)CCNC(=O)COC)[C@H](O)C1 1099863926 ORRZFFUQOWYXJY-QWHCGFSZSA-N 313.398 -0.733 30 20 DBED C#CCN1CC[C@H](NC(=O)CCCCc2cnn[nH]2)[C@H](O)C1 1099933494 PGBXTAYHOVVPSQ-UONOGXRCSA-N 305.382 -0.298 30 20 DBED N#CCNC(=O)CN1CC[C@@H](NC(=O)[C@@H]2C[C@@H]3C[C@@H]3C2)[C@@H](O)C1 1099952489 URHHXAACWSPAAT-HTOAHKCRSA-N 320.393 -0.776 30 20 DBED Cc1coc(C(=O)N[C@H]2CCN(CC(=O)NCC#N)C[C@@H]2O)c1 1099966813 CSSDWXKEPHHPEA-RYUDHWBXSA-N 320.349 -0.607 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)C2(CF)CC2)[C@@H](O)C1 1100007384 YKTBASAMBIYYMY-RYUDHWBXSA-N 313.373 -0.410 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)Cc2cnc[nH]2)[C@@H](O)C1 1100018007 OCUWPIGSBKDLLS-KGLIPLIRSA-N 306.366 -0.847 30 20 DBED N#CCN1CC[C@@H](NC(=O)CC(=O)NCC(F)(F)F)[C@@H](O)C1 1100056544 WGHIMYFUJRSKGQ-BDAKNGLRSA-N 322.287 -0.870 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)C2(C(=O)N(C)C)CC2)[C@H](O)C1 1100072034 OCFYNTLIMMVBDH-QWHCGFSZSA-N 309.410 -0.018 30 20 DBED CC(C)NC(=O)CCCC(=O)N[C@H]1CCN(CC#N)C[C@@H]1O 1100079231 WHTZMKVZPFWBRY-STQMWFEESA-N 310.398 -0.244 30 20 DBED CN(C)[C@H](Cn1cccn1)C(=O)NCC1CC(NCC#N)C1 1100401715 IPEIUODDCRQHMI-JXQTWKCFSA-N 304.398 -0.179 30 20 DBED C=CCNC(=O)CNC1CC(CNC(=O)C2(C(N)=O)CC2)C1 1100629815 MQABFFFIXLZQGA-UHFFFAOYSA-N 308.382 -0.962 30 20 DBED N#CCNC1CC(CNC(=O)CNC(=O)C2CCOCC2)C1 1100766155 SVDAAMBYPNGPDR-UHFFFAOYSA-N 308.382 -0.463 30 20 DBED C=CCNC1CC(CNC(=O)CN(C)S(=O)(=O)CC)C1 1100812376 JJTBVAQKBYINEN-UHFFFAOYSA-N 303.428 -0.062 30 20 DBED Cn1cc(C(=O)NCCN(c2cnc(C#N)cn2)C2CC2)nn1 1101338493 SETAJVXHSDYBNJ-UHFFFAOYSA-N 312.337 -0.124 30 20 DBED C=C[C@@](C)(O)CC(=O)N(C)CCN=c1cc[nH]c(C(=O)OC)n1 1101586385 YCDSDVDPZAPXHQ-OAHLLOKOSA-N 322.365 -0.118 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)C2=CCOCC2)C1 1101903544 IWZLJCIZIMVUAM-UKRRQHHQSA-N 319.405 -0.233 30 20 DBED C=CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)[C@@H]2COC(=O)N2)C1 1101927502 IAALDQUDVJQNFC-UTUOFQBUSA-N 324.381 -0.919 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)[C@@H]1CCC(=O)NC1 1102027251 BAYNETSYYRJQAY-SNVBAGLBSA-N 302.338 -0.833 30 20 DBED N#Cc1nccc(N2CC[C@H](CCNC(=O)CNC(N)=O)C2)n1 1102283305 RNCIJYBNYWPYAN-JTQLQIEISA-N 317.353 -0.651 30 20 DBED CC[C@@H](CNC(=O)c1ccc(O)nn1)N=c1cc[nH]c(C#N)n1 1102978141 RFLVJYDSTNPHOF-VIFPVBQESA-N 313.321 -0.114 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CCNC1=O)CNc1ccc(C#N)nn1 1104157291 JEZFVRPGUNDEKY-MWLCHTKSSA-N 302.338 -0.351 30 20 DBED COc1ccnc(N2CCO[C@@H](CNC(=O)[C@@H](C)C#N)C2)n1 1104302173 QRTGOKDJGZKVAB-QWRGUYRKSA-N 305.338 -0.034 30 20 DBED C=CCNCc1cn(C2CN(C(=O)c3cc(=O)n(C)o3)C2)nn1 1105221747 SOUXYVSPGHZVNH-UHFFFAOYSA-N 318.337 -0.458 30 20 DBED C=CCNCc1cn(C2CN(C(=O)C3(C(=O)NC)CC3)C2)nn1 1105343912 BYRFTURKRBBPLF-UHFFFAOYSA-N 318.381 -0.537 30 20 DBED N#Cc1nc(=NC[C@H](O)CNC(=O)c2cc(Cl)c[nH]2)cc[nH]1 1105719407 KAWDHGBOSNOTBG-VIFPVBQESA-N 320.740 -0.046 30 20 DBED CCn1cc(C(=O)NC[C@@H](O)CNc2ccc(C#N)nn2)cn1 1105765834 HKLBBGLRUKPERH-LBPRGKRZSA-N 315.337 -0.233 30 20 DBED Cc1ccc(C#N)c(NC[C@H](O)CNC(=O)[C@@H]2COCCO2)n1 1105779535 DHHXUTFTQSAEOD-STQMWFEESA-N 320.349 -0.434 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@H](O)CN=c1cc[nH]cc1C#N 1105805907 LYMBSTLFTOYJBI-WFASDCNBSA-N 304.350 -0.409 30 20 DBED CN(C)CCCCC(=O)NC[C@@H](O)CN=c1cc[nH]cc1C#N 1105908243 LAKKHRMVGILQCM-AWEZNQCLSA-N 319.409 -0.004 30 20 DBED C[C@@H]1CN(C(=O)[C@H]2CCOC2)C[C@H]1CNCC(=O)NCC#N 1105910745 XGMUHUDETHQATQ-FRRDWIJNSA-N 308.382 -0.653 30 20 DBED C[C@@H]1CN(C(=O)[C@H]2CCN(C)S2(=O)=O)C[C@H]1CNCC#N 1106751308 DMYDOQSPEMPPCM-IJLUTSLNSA-N 314.411 -0.772 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)Cc2ccc[nH]2)C[C@H]1C 1107008941 DBWBKQSKXILVKR-ZIAGYGMSSA-N 316.405 -0.009 30 20 DBED C=CCN1CC(n2cc(CNC(=O)C[C@@H]3CCC(=O)N3)nn2)C1 1107218607 HFJSVOWRNZURFC-NSHDSACASA-N 318.381 -0.394 30 20 DBED CN1C[C@@H](C(=O)NC/C=C/CNc2ccc(C#N)nn2)CC1=O 1107568330 FRDIYTFAAYRNRA-VUDBWIFFSA-N 314.349 -0.089 30 20 DBED C[C@H](CNc1ccc(C#N)nn1)NC(=O)CCn1cncn1 1107647936 BBZPXUAOPVHLDR-SNVBAGLBSA-N 300.326 -0.053 30 20 DBED CC(=O)CCCC(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1 1108507888 SZRBHAKSLOPFOB-GFCCVEGCSA-N 306.366 -0.329 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)CCOC(C)C)CC2=O)C1 1108510701 CHGLLAOFOWFKJM-ZDUSSCGKSA-N 307.394 -0.164 30 20 DBED CN(C)CCCCC(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1 1108586814 FDVMVYHVYLJCLV-CYBMUJFWSA-N 321.425 -0.357 30 20 DBED C#CCNC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCOC 1108853210 LZXKIGXRQYJEOP-CRWXNKLISA-N 307.394 -0.118 30 20 DBED C[C@H](CC(=O)N[C@H](C)CN(C)c1cncc(C#N)n1)NC(N)=O 1109097422 MVCUAPGWHADZPD-NXEZZACHSA-N 319.369 -0.264 30 20 DBED C[C@H](CN(C)c1ccc(C#N)nn1)NC(=O)C1CS(=O)(=O)C1 1109117428 YTVJJWRYIAAKHH-SECBINFHSA-N 323.378 -0.666 30 20 DBED C#CCNC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cnn[nH]1 1109482219 SQEDJXISRFGJJX-DCQANWLSSA-N 316.365 -0.722 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H]1CN(C)C(=O)N1 1109596018 CGRZDSVMVSEFKV-RQJABVFESA-N 320.393 -0.619 30 20 DBED N#Cc1cncc(NC2(CNC(=O)CCNC(N)=O)CC2)n1 1110142768 AIQHXHQAXKSHHI-UHFFFAOYSA-N 303.326 -0.533 30 20 DBED C[C@@]1(NC(=O)Cn2cnnn2)CCN(c2ccc(C#N)nn2)C1 1110711000 QPVKRGPAPQSJDX-CYBMUJFWSA-N 313.325 -0.880 30 20 DBED C[C@@H](CC(N)=O)C(=O)N(CCO)CCNc1cncc(C#N)n1 1111535376 PZCJOXWNPBAJBC-JTQLQIEISA-N 320.353 -0.907 30 20 DBED COCCC(=O)NC[C@H]1COCCN1c1cncc(C#N)n1 1111651298 QENABFCCPSGRBX-LBPRGKRZSA-N 305.338 -0.294 30 20 DBED C[C@H](CNC(=O)[C@@]1(C)CNC(=O)C1)N(C)c1ccnc(C#N)n1 1113783492 HVMUSLOOZQPFPS-MEBBXXQBSA-N 316.365 -0.185 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)COC(C)C)[C@H]2C1 1113992770 NJAMOKOMVCLECT-CXTNEJHOSA-N 307.394 -0.404 30 20 DBED C=CCOCCN1C[C@H]2[C@H](NC(=O)Cn3cnnc3O)[C@H]2C1 1114155026 FHVFNKATDCBVCB-PJXYFTJBSA-N 307.354 -0.767 30 20 DBED CC[C@@H]1CCO[C@@H]1C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1114426938 WLCKSAXFZGQOPS-MUGBGTHKSA-N 320.393 -0.512 30 20 DBED C#CCCN1CCC(NC(=O)Cn2cc([C@@H](C)O)nn2)CC1 1116286505 UTEXKYARTIRHAH-GFCCVEGCSA-N 305.382 -0.065 30 20 DBED COCC#CC(=O)NCc1ccc(C(=O)NCC(N)=O)cc1 1118554881 PPGOQIQHLHKYQM-UHFFFAOYSA-N 303.318 -0.832 30 20 DBED C=CCS(=O)(=O)CCn1nnnc1N(C)C[C@H]1CCOC1 1119563341 DEFQCQSFDXSFGP-LLVKDONJSA-N 315.399 -0.253 30 20 DBED C#CCN(C(=O)C(=O)N1CC[C@H](NC(=O)NC2CC2)C1)C(C)C 1120498189 QDKUHEGNEZAPFP-ZDUSSCGKSA-N 320.393 -0.081 30 20 DBED Cn1cc(CC(=O)NC[C@H](CO)N=c2cc[nH]cc2C#N)cn1 1121190083 IXFHELQCJLLKQC-CYBMUJFWSA-N 314.349 -0.760 30 20 DBED CCn1ccnc1C(=O)NC[C@@H](CO)Nc1cnc(C#N)cn1 1121413088 ZNLPDKDTBOGYDS-NSHDSACASA-N 315.337 -0.233 30 20 DBED COCC[C@@H](C)C(=O)NC[C@H](CO)Nc1cnc(C#N)cn1 1121610406 ZVDBTYQUKBMJKO-ZYHUDNBSSA-N 307.354 -0.090 30 20 DBED CO[C@H](C(=O)NC[C@@H](CO)Nc1cnc(C#N)cn1)C(C)C 1122445361 QAPYOWWGYMHIFP-AAEUAGOBSA-N 307.354 -0.092 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)C2(C(N)=O)CC2)cn1 1122451031 DPQAJEZJFUIEFD-LLVKDONJSA-N 303.322 -0.892 30 20 DBED CN(C[C@H](O)CNc1cnc(C#N)cn1)C(=O)c1cnccn1 1124045376 GPEOVGMOFXMDBO-LLVKDONJSA-N 313.321 -0.317 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C[C@H](O)CN(C)c1cc(F)ncn1 1125161610 LVXDOZQVYMDABV-VXGBXAGGSA-N 324.356 -0.091 30 20 DBED CO[C@@H](C)CCC(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1 1128903305 MQZMRZQYJWIKPT-XQQFMLRXSA-N 306.370 -0.042 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)c1cnc2[nH]ncc2c1 1130099146 WZLRGYXGCHCOPO-JTQLQIEISA-N 316.365 -0.032 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@@H]1CCCN1CC(C)C 1130710815 FXKCJYOMIBFIEZ-AWEZNQCLSA-N 308.426 -0.438 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)CCc1nccn1C 1131655783 BQFQSOOQWQBCPN-LBPRGKRZSA-N 305.382 -0.804 30 20 DBED C[C@H]1CC[C@@H](NC(=O)c2cnsn2)CN1CC(=O)NCC#N 1131849383 RXQWKCPNTYSHCW-VHSXEESVSA-N 322.394 -0.239 30 20 DBED CN1C[C@@H](C(=O)NCCNCc2cccc(C#N)c2)NC1=O 1132382212 DYCDSXRQTGSTOD-ZDUSSCGKSA-N 301.350 -0.212 30 20 DBED N#CCNC(=O)CNCCNC(=O)Cc1c(F)cccc1F 1133054349 JUCZGWMRTSDHBQ-UHFFFAOYSA-N 310.304 -0.147 30 20 DBED COc1ccc(CNCCNC(=O)[C@H]2CNC(=O)N2)cc1C#N 1133129012 SYRPITKRPWPXKD-GFCCVEGCSA-N 317.349 -0.546 30 20 DBED Cc1cc(C(=O)N[C@@H](C)C[C@H](C)NCC(=O)NCC#N)ncn1 1134095731 XWGKUEIJQYONJN-JQWIXIFHSA-N 318.381 -0.089 30 20 DBED C=CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)C1CN(C(C)=O)C1 1134240619 TWICVRYAEBWWMN-VXGBXAGGSA-N 324.425 -0.360 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CC(=O)N(CCC)C1 1134503586 PXTRMYMAZCRHLM-CHWSQXEVSA-N 322.409 -0.911 30 20 DBED Cc1ccn(CC(=O)N[C@@H](C)C[C@H](C)NCC(=O)NCC#N)n1 1135507063 RNPQOFFLOLHKLA-STQMWFEESA-N 320.397 -0.296 30 20 DBED C[C@@H](C[C@H](C)NC(=O)Cn1ncn2nccc2c1=O)NCC#N 1135614159 NMMMUABNAJUSCP-QWRGUYRKSA-N 317.353 -0.713 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC2(CN(C(=O)COCC=C)C2)C1 1147256220 OUOJZXDZEMWEIT-AWEZNQCLSA-N 319.405 -0.139 30 20 DBED C=CCNC(=O)CNCCNC(=O)C[C@@H](C)N1CCCC1=O 1147607921 YDTAGGKYWKGZJZ-GFCCVEGCSA-N 310.398 -0.605 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC2(CCN(CC(N)=O)C2)C1 1148390990 NCNJPPJKTOGDIH-CYBMUJFWSA-N 322.409 -0.523 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)NCCCNC(=O)[C@@H](C)OC 1155260276 QIOAQZVCLNPDTA-GHMZBOCLSA-N 314.386 -0.483 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)Cc2cnn(C)c2)C1=O 1155565038 XMJCGTHYFSJREA-AWEZNQCLSA-N 319.409 -0.155 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)C1(N(C)C)CCC1 1159861848 SFNGLKBRQXHDGK-CYBMUJFWSA-N 308.426 -0.296 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCCNCC(=O)N(C)CC 1160197740 DUINIMUYRPTUGK-AWEZNQCLSA-N 308.426 -0.342 30 20 DBED COCC(=O)N[C@@H](C)C(=O)NCCC1=CCN(CC#N)CC1 1160221443 GDBXCOUKRYXNJZ-LBPRGKRZSA-N 308.382 -0.201 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)[C@@H]2CCC(=O)N2C)C1=O 1164157773 AWPGSOJULGKMJK-STQMWFEESA-N 322.409 -0.510 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)CN1CCC(C)CC1 1169134387 KMHCSVIHPUBRAS-HNNXBMFYSA-N 322.453 -0.048 30 20 DBED C=CCNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)C(C)(F)F)C1 1180635062 VDJGWGXONCWBPX-SECBINFHSA-N 318.324 -0.156 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2cnn(CC)n2)C1 1182329899 VYLAIXIFXNFVSX-NWDGAFQWSA-N 320.397 -0.207 30 20 DBED N#CCNC(=O)CN[C@@H]1CCN(C(=O)CCc2cnc[nH]2)C1 1183115316 GUEJYMZBVPRLDW-GFCCVEGCSA-N 304.354 -0.827 30 20 DBED C#CCNC(=O)CNC[C@H]1CN(C(=O)CC)CC12CCOCC2 1186203242 INZARCOQDQLDFW-AWEZNQCLSA-N 321.421 -0.009 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](NCC(=O)NC(N)=O)C1 1186243475 HUNZHUNPJUFSAF-MDZLAQPJSA-N 324.381 -0.647 30 20 DBED C#CCOCCC(=O)N1CC[C@H]2CN(CCn3cncn3)C[C@H]21 1187873675 CCNVHYNTXDNFLZ-LSDHHAIUSA-N 317.393 -0.149 30 20 DBED C=CCN(CC=C)C(=O)CN1C[C@@H]2CCN(C(=O)C(N)=O)[C@@H]2C1 1188991669 JTGMWUJBGNVPEG-QWHCGFSZSA-N 320.393 -0.795 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC[C@@H](N(C)CC(=O)NC(N)=O)C1 1189919257 ZYVFEERQLWGGEG-QMTHXVAHSA-N 312.370 -0.959 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@H]1CCN(C(=O)c2ccncn2)C1 1192948227 QPSASVTURRQYRN-OLZOCXBDSA-N 315.377 -0.239 30 20 DBED CCn1nncc1C(=O)N1CCCN(CC(=O)NCC#N)CC1 1195717650 REZVSCGDTLDBNG-UHFFFAOYSA-N 319.369 -0.914 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)c2[nH]c(O)nc2C)CC1 1196223320 PTYKRKYUVWNGBB-UHFFFAOYSA-N 321.381 -0.126 30 20 DBED CO[C@@H]1CCC[C@H]1C(=O)N1CCCN(CC(=O)NCC#N)CC1 1196339990 CXPFXNIOKYSJDD-ZIAGYGMSSA-N 322.409 -0.024 30 20 DBED CC(C)NC(=O)CN(C)CC(=O)N1CCCN(CC#N)CC1 1196424214 VTLDFFYBDNUERO-UHFFFAOYSA-N 309.414 -0.499 30 20 DBED C=CCCN1CCCN(C(=O)CNS(=O)(=O)N(C)C)CC1 1197291357 AWVHTUSFLRQZOM-UHFFFAOYSA-N 318.443 -0.507 30 20 DBED C=CCCn1cc(C(=O)N2CCCO[C@H](CNCCO)C2)nn1 1201613103 YAJBQZUILWJKKU-CYBMUJFWSA-N 323.397 -0.333 30 20 DBED CC#CCN[C@H]1C[C@H]2CC[C@H]1N(C(=O)CN1CC(=O)NC1=O)C2 1204798896 MLHGAAJWXAUBRL-FRRDWIJNSA-N 318.377 -0.469 30 20 DBED C#CCN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)COCc1nncn1C)C2 1204844342 CIPGQTLAODWQTO-MGPQQGTHSA-N 317.393 -0.066 30 20 DBED COCC#CCN1C[C@@H](NC(=O)CO[C@@H]2CCOC2)[C@H](C)C1 1206969226 OLEHHZQDADKAJI-RBSFLKMASA-N 310.394 -0.122 30 20 DBED COCC#CCN1C[C@@H](NC(=O)C[C@@H]2CCC(=O)NC2)[C@H](C)C1 1207516016 KNRDCQVDJKMIMU-QLFBSQMISA-N 321.421 -0.011 30 20 DBED N#CCNC(=O)CN[C@H]1CCCN(C(=O)c2cscn2)C1 1207661120 VPQSWECIVFWGDF-JTQLQIEISA-N 307.379 -0.023 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)c2cn(C)nn2)C1 1207974984 MATXPKFMYHWZSE-LLVKDONJSA-N 306.370 -0.689 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)c2c(C)ncn2C)C1 1208373712 NEJRCQWFWQUXBH-CYBMUJFWSA-N 317.393 -0.328 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)CCn1ccccc1=O 1212368502 PZXWFFYZVOKCCZ-CHWSQXEVSA-N 304.350 -0.423 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)COCc1ncc(C)o1 1213149190 DDPPHNXVQCZYNQ-VXGBXAGGSA-N 308.338 -0.161 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](NCCCN2C(=O)CNC2=O)[C@H](C)C1 1214338246 MPYSVVRSVAHPIN-IJLUTSLNSA-N 321.381 -0.476 30 20 DBED C[C@@H]1CN(C(=O)c2ncccc2O)C[C@H]1NCC(=O)NCC#N 1214493324 HGFGUSATTDICJR-GHMZBOCLSA-N 317.349 -0.523 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)c2ncccc2O)C[C@H]1C 1214493391 JOEXCCVKSUPUDK-VXGBXAGGSA-N 316.361 -0.413 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)CC2(C)CCCC2)C1 1219567898 JLSWNXMSQLBKAI-KGLIPLIRSA-N 321.421 -0.133 30 20 DBED C[C@H](c1nncn1C)N1C[C@H](O)[C@H](NC(=O)C#CC2CC2)C1 1219591727 RTUSEOCMILRIJO-RTXFEEFZSA-N 303.366 -0.549 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)C#CC2CC2)C1 1219596451 VXWMJNIAZDCCMI-BNOWGMLFSA-N 305.378 -0.748 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)C2(S(C)(=O)=O)CCC2)C1 1220655015 VHSFXXMXWRRNQQ-NEPJUHHUSA-N 316.423 -0.309 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)CCN2CCCC2=O)C1 1220994560 WVEMPBHDPYGSFC-NEPJUHHUSA-N 315.801 -0.087 30 20 DBED CCO[C@H](C)C(=O)N1CC[C@H]2CCN(CC(=O)NCC#N)[C@H]2C1 1222310984 UKPYATANYZESJA-MCIONIFRSA-N 322.409 -0.026 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)c2ncc[nH]2)CC1 1223073814 GVSSCQFHAPSNFG-UHFFFAOYSA-N 303.366 -0.399 30 20 DBED CNC(=O)NCC(=O)NCC1CCN(CC#CCOC)CC1 1223391240 LXQLQUHAPZUKOJ-UHFFFAOYSA-N 310.398 -0.607 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@H]1CN(C)C(=O)CNC(=O)CC 1231271145 GTKLSKXSIZTPPZ-STQMWFEESA-N 322.409 -0.817 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)c1n[nH]c(C)c1O 1233633924 FUTUHPPVBVWRBY-LLVKDONJSA-N 319.365 -0.681 30 20 DBED COCC#CCN1CC[C@H]1CN(C)C(=O)[C@@H]1CCCNC1=O 1235601196 JIKYAHVJAUXAHY-UONOGXRCSA-N 307.394 -0.305 30 20 DBED CNC(=O)C1CN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)C1 1255008314 QHTXITRXCFKQHF-OWBHPGMISA-N 306.322 -0.893 30 20 DBED C#CCSCCNC(=O)C(=O)N[C@H](COC)[C@H]1CCCO1 1261092850 QXBWVXZSASWNFZ-VXGBXAGGSA-N 314.407 -0.221 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N(C)C[C@@H]2CCCOC2)nn1 1261449246 VQIQBVHMFJYDLM-LBPRGKRZSA-N 321.381 -0.035 30 20 DBED N#C[C@@]1(F)CCN(C(=O)C(=O)N2CCC3(CCNC3=O)CC2)C1 1261898389 BRJGISKUGKWTPP-HNNXBMFYSA-N 322.340 -0.421 30 20 DBED C=C(Cl)CNC(=O)C(=O)Nc1ccn(CC(=O)N(C)C)n1 1319042719 LQLVTNQCAKROEV-UHFFFAOYSA-N 313.745 -0.222 30 20 DBED C=CCNC(=O)CNC(=O)C(=O)Nc1cc(C)c(=O)n(C)c1 1320254301 HUYGJARYRMZOSL-UHFFFAOYSA-N 306.322 -0.949 30 20 DBED CCCNC(=O)COC(=O)CCN/C(O)=C1/N=CC=CC1=O 1322045580 QOABQDBHOJEZFV-YPKPFQOOSA-N 309.322 -0.028 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)NC[C@@]1(C)CCCO1 1323373754 NYHQKQDFSWJGJF-CYBMUJFWSA-N 318.395 -0.611 30 20 DBED CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)C(=O)NCCCC#N)C1 1323384583 ZQRLQFANWUMKGR-WDEREUQCSA-N 315.395 -0.122 30 20 DBED C#CC1CCN(C(=O)C(=O)N2CCC3(CC2)COC(=O)N3)CC1 1326531157 FLNVKSVMHZDMLP-UHFFFAOYSA-N 319.361 -0.041 30 20 DBED C=CCn1cc(CNC(=O)C(=O)NC[C@H]2CCCCN2)nn1 1327962346 USMHHHKQQXMQFG-LLVKDONJSA-N 306.370 -0.661 30 20 DBED C=CCn1cc(CNC(=O)NC[C@H]2CN(C)CCN2C)nn1 1329176063 BUOGQJQFTXHHHE-ZDUSSCGKSA-N 307.402 -0.491 30 20 DBED C#C[C@@H](NC(=O)C(=O)N[C@H]1C[C@H](C(=O)OC)C1)[C@H]1CCCO1 1330755282 LEGBABMPTFDGEZ-DDHJBXDOSA-N 308.334 -0.649 30 20 DBED C#CCCCCNC(=O)C(=O)Nc1ncn(CC(=O)OCC)n1 1332027620 OSYWFSQAQKDJCU-UHFFFAOYSA-N 321.337 -0.301 30 20 DBED COCC#CC(=O)Nc1ccc2c(=O)n(C)c(=O)n(C)c2c1 1333660009 JRIODKAITCKCLT-UHFFFAOYSA-N 301.302 -0.175 30 20 DBED C#CCN(C(=O)C(=O)NC1CCN(CC(=O)NC)CC1)C(C)C 1335509815 ZXIGUKHWDCSGNT-UHFFFAOYSA-N 322.409 -0.817 30 20 DBED C=CCn1c([C@H]2CC(=O)N(C)C2)nnc1N(C)CCNC(C)=O 1338785075 APAAXDJXFFZXET-LBPRGKRZSA-N 320.397 -0.018 30 20 DBED CN(CCNS(C)(=O)=O)C(=O)CNc1ccc(C#N)cn1 1362133912 QTGVDVJONSFTJF-UHFFFAOYSA-N 311.367 -0.627 30 20 DBED C[C@H](Cc1ccccn1)NC(=O)Cn1cc(C#N)c(O)nc1=O 1363464244 TZJGSUFKRQYWKJ-SNVBAGLBSA-N 313.317 -0.037 30 20 DBED C[C@@]1(CO)C[C@H](O)CN1C(=O)CNC(=O)c1ccc(C#N)cc1 1364088033 DWQJCYTYLOEHBO-BBRMVZONSA-N 317.345 -0.368 30 20 DBED Cc1cc(CC(=O)NCCn2cc(C#N)c(O)nc2=O)on1 1364108436 PGANAPWZHNIFCO-UHFFFAOYSA-N 303.278 -0.524 30 20 DBED N#Cc1cccc(NC(=O)N2CCN(S(N)(=O)=O)CC2)n1 1365067187 YNQMHQMOZCRSSX-UHFFFAOYSA-N 310.339 -0.694 30 20 DBED CNC(=O)NCC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)[C@@H](C)C#N 1406673678 NWRBKQSTDPZVDU-WOPDTQHZSA-N 323.397 -0.182 30 20 DBED Cc1c[nH]c(CC(N)=O)c1C(=O)NCCN(C)C(=O)[C@@H](C)C#N 1408701551 ZJSJNSPLLVDDFG-VIFPVBQESA-N 319.365 -0.301 30 20 DBED C[C@@H](O)[C@H]1CCCCN1C(=O)CCn1cc(C#N)c(O)nc1=O 1412739071 NQGLLLCNPYQTQG-ZYHUDNBSSA-N 320.349 -0.027 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](C)CNC(=O)c1cc(=O)n(C)cn1 1416469393 CLQLPQPSSLADKD-ZJUUUORDSA-N 305.338 -0.578 30 20 DBED CCN1C[C@@H](C)N(C(=O)Cn2cc(C#N)c(O)nc2=O)C[C@H]1C 1417698796 YSNUAWSBNVQPRQ-GHMZBOCLSA-N 319.365 -0.238 30 20 DBED CO[C@]1(C)CCCN(C(=O)Cn2cc(C#N)c(O)nc2=O)C1 1417768324 LQQOKVZNVIHACJ-CQSZACIVSA-N 306.322 -0.152 30 20 DBED C[C@@H](C#N)C(=O)NCC1CN(CC(=O)NC(=O)NC(C)(C)C)C1 1421134515 YCQULTLXDSHATJ-JTQLQIEISA-N 323.397 -0.182 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CCC(=O)N2C)C1 1426881984 UGVCTHSCNHHKDC-WYUUTHIRSA-N 306.366 -0.222 30 20 DBED C[C@H](C#N)C(=O)N(C)CCNC(=O)c1cnc2c(c1)nnn2C 1431375751 WASPZJXDLXZUPI-SECBINFHSA-N 315.337 -0.289 30 20 DBED Cc1noc(CN2CCN(CCNC(=O)[C@H](C)C#N)CC2)n1 1436697337 AUKHLHOXCSMENP-LLVKDONJSA-N 306.370 -0.229 30 20 DBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)Nn1ccnn1 1449959647 NPWZJOJYCFVIMG-UHFFFAOYSA-N 306.307 -0.913 30 20 DBED COCCn1cc(C(=O)N2CC(NC(=O)[C@@H](C)C#N)C2)cn1 1456390406 FMIXZKIEXVEYAN-JTQLQIEISA-N 305.338 -0.370 30 20 DBED CCc1nc(C)c(C(=O)NC[C@H](O)CNC(=O)[C@@H](C)C#N)o1 1458031239 ARCCIIBOBKMDGH-WCBMZHEXSA-N 308.338 -0.088 30 20 DBED C[C@H](C#N)C(=O)N(C)CCNC(=O)c1ccc(C(N)=O)nc1 1496217637 XCEDPQXEYZECNH-SECBINFHSA-N 303.322 -0.472 30 20 DBED CNC(=O)NCCC(=O)N(C)C1CC(NC(=O)[C@@H](C)C#N)C1 1511938008 KTIIKJOPGFPGRJ-WHXUTIOJSA-N 309.370 -0.429 30 20 DBED COCCNC(=O)[C@H](C#N)C(=O)Cc1nc(C2CC2)nn1C 1515174333 VZEJFVNYHMHMDY-SNVBAGLBSA-N 305.338 -0.294 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1CCC[C@H]2CNC[C@H]21 1579026954 XXEQUULGBZMQOZ-QWHCGFSZSA-N 316.427 -0.223 30 20 DBED C#CCN(CC(=O)O)C(=O)N[C@H]1CCOC[C@H]1OCCOC 1588409940 MNRHDWXBBUDUMQ-NWDGAFQWSA-N 314.338 -0.464 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N(C)CCC(=O)O)C1=O 1588464384 OCKYUVQWCCJQTO-JTQLQIEISA-N 311.338 -0.835 30 20 DBED C[C@@H](C(=O)N(C)c1ccc(-c2nn[nH]n2)nc1)n1cnc(C#N)n1 1588942484 AHDVINWTRRDTFD-QMMMGPOBSA-N 324.308 -0.051 30 20 DBED O=C(CCN/C(O)=C1\N=CC=CC1=O)N[C@H]1CCO[C@H]1C(=O)O 1601279750 QUKFPVKRUNUXOM-HDHNUFPESA-N 323.305 -0.739 30 20 DBED N#CCSCC(=O)NCC1(NC(=O)[C@H]2C[C@H]2C(=O)O)CC1 1608186714 FHGRJWNEHDEIOM-DTWKUNHWSA-N 311.363 -0.271 30 20 DBED C[C@@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)NCC#CCO 1609133891 QYDMUFIXHKRHCM-SNVBAGLBSA-N 301.306 -0.254 30 20 DBED N#CC1(CS(=O)(=O)N2CCC([C@@H](O)C(=O)O)CC2)CC1 1610618923 BSXQPRHGWRJJEI-SNVBAGLBSA-N 302.352 -0.223 30 20 DBED N#Cc1cncn(CC(=O)NC2CCC3(CC2)OCCO3)c1=O 1649809996 KPGWPZWPGXOOKQ-UHFFFAOYSA-N 318.333 -0.083 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1CCN(CC(=O)NC)C1 1665576255 VXNOHXISGUOFKY-OLZOCXBDSA-N 310.398 -0.606 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)C2(CCOC)CC2)C1 1692401804 DSDZHQNAKLABNC-ZDUSSCGKSA-N 307.394 -0.257 30 20 DBED C=CCNC(=O)[C@H](C)N1CC[C@H](NC(=O)c2cn(C)c(O)n2)C1 1713829578 GLDZFUBKJJERKC-QWRGUYRKSA-N 321.381 -0.380 30 20 DBED CC#CCNC[C@H]1CCCN1C(=O)CNS(=O)(=O)CC 1723905631 HXVXMPLWQFAISE-GFCCVEGCSA-N 301.412 -0.470 30 20 DBED C#CCNC(=O)CN(CCNC(=O)C[C@H]1CCCO1)C1CC1 1753151402 YHXPJPPGBGZVIX-CQSZACIVSA-N 307.394 -0.115 30 20 DBED CN(CCNCC(=O)NCC#N)C(=O)c1cncnc1C1CC1 1753256587 NLXOMVIOHKNPTD-UHFFFAOYSA-N 316.365 -0.345 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C[C@H]1CN2C(=O)c1nc(C)c[nH]1 1753425560 QODNNUNSZPZMNS-RYUDHWBXSA-N 303.366 -0.081 30 20 DBED C#CCNC(=O)CNC[C@@](C)(NC(=O)[C@H](C)NC(C)=O)C1CC1 1753512820 DBSHYRRYTUPIRF-MEDUHNTESA-N 322.409 -0.865 30 20 DBED C=C(C)CNC[C@H](O)CNC(=O)c1cnc2c(c1)NC(=O)CO2 1753918826 PZFBJNPRRCHHJB-NSHDSACASA-N 320.349 -0.331 30 20 DBED CCCc1nc(C(=O)NC[C@@H](O)CNCC#CCOC)co1 1753933370 JXNJDEKNVWKLID-LBPRGKRZSA-N 309.366 -0.043 30 20 DBED C#CCNC(=O)[C@H](C)NCCCN(C)C(=O)c1ccc(C)nn1 1754370973 SUDQTUDAWVECES-ZDUSSCGKSA-N 317.393 -0.025 30 20 DBED N#CCN1CC[C@H]1CNC(=O)CN1CCCCS1(=O)=O 1754488618 HGIATNFIFPJOLQ-NSHDSACASA-N 300.384 -0.874 30 20 DBED C#CCNC[C@@H](NC(=O)CCNS(C)(=O)=O)C1CCCC1 1754651573 WPQRJCIAVCKUMD-CYBMUJFWSA-N 315.439 -0.177 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC(O)(CNC(=O)C2=CCCC2)C1 1754766322 MVKLZMIIKXGMNB-GFCCVEGCSA-N 305.378 -0.603 30 20 DBED CC#CCN[C@@H](C)[C@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 1754799117 AHKDZUQQGQLIOU-STQMWFEESA-N 305.382 -0.568 30 20 DBED C#CCNC(=O)CN[C@@H](C)[C@@H]1CN(C(=O)c2ccoc2)CCO1 1755438521 JTMZHRPETHIALI-JSGCOSHPSA-N 319.361 -0.152 30 20 DBED COCC#CCN[C@@H]1C[C@H](C)N(C(=O)c2c[nH]c(C(N)=O)c2)C1 1755694873 WRZCTZZQODGXJD-WCQYABFASA-N 318.377 -0.044 30 20 DBED C=CCOCCN1CC[C@@]2(NC(=O)Cn3ncnn3)CCC[C@@H]12 1755703308 WTKRCWVAJHTBRT-HIFRSBDPSA-N 320.397 -0.011 30 20 DBED C#CCNC(=O)CN[C@H]1CN(C(=O)C[C@@H]2CCOC2)CC1(C)C 1755752443 CAEODFRWCXDRKX-KBPBESRZSA-N 321.421 -0.011 30 20 DBED CN(CC#N)C[C@@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1cnn(C)c1 1755805564 OZTLLGXQPVBEHA-HZSPNIEDSA-N 305.382 -0.202 30 20 DBED C=CCN(C)C[C@@H](O)CN(C)C(=O)[C@H]1CCc2nnn(C)c2C1 1755805579 XVGUYTOQGIRNEY-QWHCGFSZSA-N 321.425 -0.143 30 20 DBED C#CCO[C@H](C)C(=O)N(C)[C@H](C)CNC(=O)CN(C)C(C)=O 1756006299 PQVOKPUXNJXCKH-VXGBXAGGSA-N 311.382 -0.534 30 20 DBED C#CCCCC(=O)N1CCO[C@@H]([C@H](C)NC(=O)c2cnn[nH]2)C1 1756216977 MKAKSRDPWRFSSF-WCQYABFASA-N 319.365 -0.046 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(C(=O)CN2CCCC2=O)[C@H]1C 1756554237 RVAOSLKEINPXLY-QWHCGFSZSA-N 323.393 -0.083 30 20 DBED C=CCOCC(=O)N(C)C1CC(NC(=O)CC(=O)N(C)C)C1 1756737194 WYILHFIEMXFRAA-UHFFFAOYSA-N 311.382 -0.227 30 20 DBED N#CCSCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccco2)C1 1756975900 XKDBMFWEMDAPSP-NXEZZACHSA-N 309.347 -0.162 30 20 DBED C#CC(=O)N1CCC2(CCCN(C(=O)CC(=O)NC)C2)CC1 1805924435 VYZBRXYYEOMVPI-UHFFFAOYSA-N 305.378 -0.013 30 20 DBED C#CC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](N)CN)CC1 1827588126 WETMQHZVBXMDCQ-UONOGXRCSA-N 306.410 -0.475 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)CC2(O)CCCC2)CC1 77987062 HPFKFRUFJOHEKL-UHFFFAOYSA-N 321.421 -0.035 30 20 DBED CN1CC[C@@H](NC(=O)C(=O)Nc2ccc(F)c(C#N)c2)C1=O 172657655 ZDWQQMAMUMDTGX-LLVKDONJSA-N 304.281 -0.017 30 20 DBED N#CCCN(CCC#N)C(=O)CN1CCN2C(=O)NC[C@H]2C1 175941929 VZDJDOICPSALDT-LBPRGKRZSA-N 304.354 -0.648 30 20 DBED N#Cc1cc(F)c(S(=O)(=O)N(CCO)CC(=O)O)c(F)c1 275241111 GSBBIMDAASYSNL-UHFFFAOYSA-N 320.273 -0.096 30 20 DBED C=C[C@H](CO)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 290657140 RKTNMJJYCXBLRG-ZYHUDNBSSA-N 323.374 -0.112 30 20 DBED C[C@@H]1CN(C2CC2)C[C@H]1N/C(O)=N/CC(=O)N1CCOCC1 329240193 QUUNZSZEADBREF-DGCLKSJQSA-N 310.398 -0.169 30 20 DBED Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N[C@H](C)C#N 330910579 VMTGPBIJJUZLRW-VXNVDRBHSA-N 313.383 -0.268 30 20 DBED Cn1c(N2CCC[C@]3(CCNC3)C2)c(C#N)c(=O)n(C)c1=O 333128549 AOHRCLLISOKTHD-OAHLLOKOSA-N 303.366 -0.464 30 20 DBED CC[C@H](C)[C@@](C)(O)CNS(=O)(=O)N1CCO[C@@H](C#N)C1 337089181 IGBDNUQBIDTILG-SRVKXCTJSA-N 305.400 -0.158 30 20 DBED C[C@@H](CC#N)NC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 338082169 ROXAUNURLJCAQB-QWHCGFSZSA-N 308.382 -0.415 30 20 DBED CN(C)c1cc(C#N)cc(C(=O)N2CCN(C(=O)CO)CC2)c1 344048873 KZEZXKOSZQPKSE-UHFFFAOYSA-N 316.361 -0.099 30 20 DBED CCO[C@H]1COCC[C@@H]1Nc1c(C#N)c(=O)n(C)c(=O)n1C 353274573 HXFCQTFMWGEQNB-QWRGUYRKSA-N 308.338 -0.438 30 20 DBED C[C@H](CC(N)=O)NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 354723999 SHOFQIWRDFGSLU-SECBINFHSA-N 324.362 -0.783 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CCC[C@@H](C(=O)O)C2)nn1 424488872 NMDFTKDCLRPFGK-SNVBAGLBSA-N 321.337 -0.597 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H]1CCC(=O)N(C)C1=O 425225943 PXSCLIPPVWSTEK-ZJUUUORDSA-N 316.383 -0.550 30 20 DBED CN(C[C@H](O)CN1CCOCC1)S(=O)(=O)CCCC#N 443353797 HGKKFYGJNLRMET-LBPRGKRZSA-N 305.400 -0.755 30 20 DBED C#CCN1CCN(C(=O)CN(CCCOC)CCOC)CC1 491288744 UOSGKGXJFDCFHQ-UHFFFAOYSA-N 311.426 -0.251 30 20 DBED C#CCNC(=O)CCNCC1CCN(S(=O)(=O)CC)CC1 491746069 ZMMFLODGQDFBAT-UHFFFAOYSA-N 315.439 -0.223 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(CC[C@H]2CCNC2=O)c1=O 514677649 JXPMEARLRKGRHV-LLVKDONJSA-N 320.349 -0.930 30 20 DBED C=CCCS(=O)(=O)N[C@H](CN1CCOCC1)C(=O)OC 516906015 NUVAHMLMEHSHGA-LLVKDONJSA-N 306.384 -0.644 30 20 DBED CC(=O)N1CCN(CCNS(=O)(=O)CC2(C#N)CC2)CC1 543834355 VPCLWTUGWFQVOH-UHFFFAOYSA-N 314.411 -0.626 30 20 DBED CCc1cc(CNS(=O)(=O)N2CCO[C@@H](C#N)C2)on1 548832472 ABQFSLIBWALBFZ-NSHDSACASA-N 300.340 -0.204 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCc2cc[nH]n2)C1=O 550184092 XCEMTPXIDUBUMX-LLVKDONJSA-N 305.338 -0.729 30 20 DBED C[C@@H]1C[C@@H](CO)CN(S(=O)(=O)N2CCO[C@H](C#N)C2)C1 570060490 KSIGRNHRPYNLIY-IJLUTSLNSA-N 303.384 -0.594 30 20 DBED Cc1c([C@@H]2[C@H](C(=O)NCC#CCO)CC(=O)N2C)cnn1C 580328458 VBWDVRFVDSYFAQ-RISCZKNCSA-N 304.350 -0.640 30 20 DBED COCCCS(=O)(=O)NCCN1CC[C@@](O)(CC#N)C1 592150966 LBVCTGQOTPWHRA-LBPRGKRZSA-N 305.400 -0.707 30 20 DBED N#CC[C@]1(O)CCN(C(=O)CSc2nnnn2C2CC2)C1 592840167 SDLIOJWFDYKUNF-LBPRGKRZSA-N 308.367 -0.023 30 20 DBED CN(C)CCCN(C)CCNS(=O)(=O)N(C)CCC#N 594820811 HQGBPBDJRJYYGH-UHFFFAOYSA-N 305.448 -0.450 30 20 DBED CCCN1CC[C@H](NC(=O)C(=O)Nc2ccn(CCC#N)n2)C1 595194200 KJYRWZWZRLEJOD-LBPRGKRZSA-N 318.381 0.336 30 20 DBED C[C@H]1CC[C@H](C(=O)O)CN1c1c(C#N)c(=O)n(C)c(=O)n1C 595973205 HHRCNAVONQYVTE-IUCAKERBSA-N 306.322 -0.355 30 20 DBED CN(CCn1cccn1)C(=O)C(=O)N1CCN(CCC#N)CC1 601457173 LQGLRCWGRNCPDG-UHFFFAOYSA-N 318.381 -0.601 30 20 DBED CCN1C(=O)[C@H]2CN(C(=O)c3cc(C#N)c[nH]3)CCN2C1=O 610626791 OZAGZDZKIPRYKC-LLVKDONJSA-N 301.306 -0.005 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCc2cccnc2C)C1=O 628899298 TUDLBBRTKCQVQE-UHFFFAOYSA-N 316.317 -0.017 30 20 DBED C=CCN1C(=O)C(=O)N(CCc2nnn(C(C)(C)C)n2)C1=O 657226758 UHPRGPBPOAGUQY-UHFFFAOYSA-N 306.326 -0.053 30 20 DBED C#CCN(CC(=O)O)C(=O)NCC(C)(C)CS(C)(=O)=O 723848100 IKFLRGSTCCKOBF-UHFFFAOYSA-N 304.368 -0.213 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)N2CCCNC(=O)C2)cc1 726984182 JOWYMLYNCWSVGH-UHFFFAOYSA-N 300.318 -0.363 30 20 DBED Cn1cc(C=NNC(=S)NCC(N)=O)c(-c2ccncc2)n1 731929349 DSNIPLHRRYIVOT-UHFFFAOYSA-N 317.378 -0.235 30 20 DBED CC(=O)N(C)CC(=O)OCc1cc(O)n2ncc(C#N)c2n1 782710276 AMPLBUIUCPVVPR-UHFFFAOYSA-N 303.278 -0.172 30 20 DBED C#CCN1CCN(C(=O)[C@@](C)(O)Cn2c(C)cccc2=O)CC1 792173865 YPKFRISWFRUXEW-KRWDZBQOSA-N 317.389 -0.315 30 20 DBED C#CCC[C@@H](O)CNC(=O)CN(C)c1ncnc2[nH]cnc12 799080797 NJIOPAVQCSTYFN-SNVBAGLBSA-N 302.338 -0.320 30 20 DBED C#CCC[C@@H](O)CNC(=O)c1cc(S(N)(=O)=O)ccc1F 803354733 CHQRJUBPZYQLFG-SECBINFHSA-N 314.338 -0.023 30 20 DBED CON=CC(=O)NCc1ccc([C@@]2(C)NC(=O)NC2=O)cc1 809647135 KGSYSAXQZWYHLG-CQSZACIVSA-N 304.306 -0.010 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)c1c[nH]c(C(=O)OC)c1 814530181 JDEJXVMNXHMVKR-UHFFFAOYSA-N 309.278 -0.030 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)c2nn(CC)nc2C)CC1 814836808 VCKSGVMTKFNODJ-UHFFFAOYSA-N 320.397 -0.334 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)NCCCc1cnn(C)n1 815053190 DQZFZYLXYQKGST-JTQLQIEISA-N 300.388 -0.326 30 20 DBED C=CCNC(=O)[C@@H](C)OC(=O)[C@H]1CCCN(S(N)(=O)=O)C1 815264635 WHRWNFDTDOCFRW-ZJUUUORDSA-N 319.383 -0.864 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCN(c2n[nH]c(C)n2)CC1 820365106 YMHDVJPRMOKXOG-ZDUSSCGKSA-N 302.382 -0.141 30 20 DBED CN(C)C(=O)CCN1CCN(C(=O)[C@@](C)(C#N)CC(=O)O)CC1 820530475 NKAJPGILIAIVGG-OAHLLOKOSA-N 324.381 -0.387 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2C[C@H]2OCC)CC1 831556482 OVBQKDXQILACRA-VXGBXAGGSA-N 315.395 -0.977 30 20 DBED C#C[C@H](NC(=O)N[C@H](CC)CNS(C)(=O)=O)[C@H]1CCCO1 838559239 LSAAPXZUCJMUQD-GRYCIOLGSA-N 317.411 -0.206 30 20 DBED CON=CC(=O)NC[C@H](C)N(CC(F)F)C(=O)C=NOC 847924158 LNADWJJQBVGPRR-QMMMGPOBSA-N 308.285 -0.151 30 20 DBED C#CC[C@H](CO)NC(=O)c1cnn(CC(OCC)OCC)c1N 854541867 LJXBYYNYVLXAAN-LLVKDONJSA-N 324.381 -0.022 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)NCC=C(C)C)CC1 894394661 PQLUMKVBSVRJIT-UHFFFAOYSA-N 314.411 -0.253 30 20 DBED C[C@@H](NS(=O)(=O)c1ccc(C#N)nc1)[C@@H]1CN(C)CCN1C 920010646 QHZQZWOZDAYUTI-RISCZKNCSA-N 323.422 -0.134 30 20 DBED CCN1CCC[C@H](NS(=O)(=O)N(C)C[C@@H](C)C#N)C1=O 921490319 FJVDZDANMRWVLL-QWRGUYRKSA-N 302.400 -0.077 30 20 DBED O=C(NCC#CCO)NC[C@@H](O)COc1ccc(F)c(F)c1 923779290 GFMWGEYQKAOLGO-SNVBAGLBSA-N 314.288 -0.001 30 20 DBED CN(C(=O)[C@@H]1CCNC1=O)[C@@H]1CCN(C(=O)C#CC2CC2)C1 937350287 SETVLIBHMNNXHU-CHWSQXEVSA-N 303.362 -0.405 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)C3(C(N)=O)CC3)C2)[nH]1 937843052 RDGPBJZRLNABIP-JTQLQIEISA-N 315.333 -0.517 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@H](NC(=O)[C@@H]3CCNC3=O)C2)c1 938406889 MYLPVPVOIKDVIQ-WDEREUQCSA-N 315.333 -0.647 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@@H](N(C)C(=O)C(N)=O)C2)nc1 938967020 NUKQJCBHBAUQNE-LLVKDONJSA-N 300.318 -0.779 30 20 DBED Cc1cnn(C)c1C(=O)NC[C@@H]1CN(C(=O)[C@H](C)C#N)CCO1 944727197 YGYPPFANKANABD-ZYHUDNBSSA-N 319.365 -0.155 30 20 DBED C=CCCN1CC[C@@H](NC(=O)CN2C(=O)CNC2=O)[C@@H](C)C1 944790955 SMKTUOBHZQXBHV-NWDGAFQWSA-N 308.382 -0.059 30 20 DBED C[C@@H]1CN(C(=O)CC(N)=O)CC[C@@H]1NC(=O)c1cc(C#N)c[nH]1 945223610 DZIBOBZIBHCAFJ-KOLCDFICSA-N 317.349 -0.271 30 20 DBED CCN1CCO[C@H](C(=O)NC2CCN(C(=O)[C@H](C)C#N)CC2)C1 948102562 OTTMWIHCPITRSW-OCCSQVGLSA-N 322.409 -0.026 30 20 DBED C=CCN1CCC2(CC1)CN(C(=O)Cn1ncnn1)CCO2 949091988 LMHNKXBRRAYGJM-UHFFFAOYSA-N 306.370 -0.448 30 20 DBED C=CCN1CCC2(CC1)CN(C(=O)[C@H]1CNC(=O)N1)CCO2 949174211 LAKSUQWOBLZJEV-GFCCVEGCSA-N 308.382 -0.453 30 20 DBED C#CCCN1CCOC2(CCN(C(=O)[C@H]3COC(=O)N3)CC2)C1 949348827 MGEXZALAKAAOAB-CYBMUJFWSA-N 321.377 -0.189 30 20 DBED CC#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cn3cccnc3n2)C1 958214638 KIUWOIDRQGKHHR-GXTWGEPZSA-N 313.361 -0.225 30 20 DBED CC#CCN1C[C@@H](O)[C@H](CNC(=O)c2c(C)nn(C)c2F)C1 958631813 XKWOEBDWOXPHBW-VXGBXAGGSA-N 308.357 -0.087 30 20 DBED Cc1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)c(C)nn1 964022521 QPQABUACTPLVIV-CKLFPEKLSA-N 317.349 -0.445 30 20 DBED C=C(C)C(C)(C)C(=O)N1CC2(CN(C(=O)C(N)=O)CCO2)C1 965465032 ORRBAAOKJDTZRD-UHFFFAOYSA-N 309.366 -0.486 30 20 DBED Cc1cc(C(=O)N2CC3(C2)CN(C(=O)[C@@H](C)C#N)CCO3)n[nH]1 965475961 ZOYMBYKUVHQACP-JTQLQIEISA-N 317.349 -0.069 30 20 DBED C=CCN[C@@H]1CCN(C(=O)C2(n3cnnn3)CCOCC2)C1 970231252 LYYYYJLGRYWJKR-GFCCVEGCSA-N 306.370 -0.445 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2nnn(C)n2)C1 974370681 QNBRGASQRALTHU-YTWAJWBKSA-N 320.353 -0.822 30 20 DBED C=C(C)C(C)(C)C(=O)N1C[C@H]2[C@H](NC(=O)[C@@H]3CNC(=O)N3)[C@H]2C1 977085287 RQXJAGWODTXQLD-WHOHXGKFSA-N 320.393 -0.157 30 20 DBED N#CCN1C[C@@H]2C(CNC(=O)c3ccc4nnc(O)n4c3)[C@H]2C1 978854076 JSHOFFJVEKQRQE-VXGBXAGGSA-N 312.333 -0.134 30 20 DBED CN(C)[C@@H](Cn1cccn1)C(=O)N1CCCN(CC#N)CC1 981326505 DZTCPXDQGFLLHE-AWEZNQCLSA-N 304.398 -0.129 30 20 DBED C#CCCN1CCCN(C(=O)CCn2cc[nH]c(=O)c2=O)CC1 982227034 FYRMFKJJFGBLJU-UHFFFAOYSA-N 318.377 -0.516 30 20 DBED C=C(C)CN[C@H]1CCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)[C@@H]1C 987103401 HIWWFQYIDLABIT-MNOVXSKESA-N 322.365 -0.438 30 20 DBED CN(C[C@H]1CCN(C(=O)C#CC2CC2)C1)C(=O)[C@@H]1CCNC1=O 987990152 FROWSDBCVZFCNK-ZIAGYGMSSA-N 317.389 -0.157 30 20 DBED C=CCN1CC[C@]2(NC(=O)CN3CC(=O)NC3=O)CCC[C@@H]12 992332279 OVVPNDBPKYDFCM-IAQYHMDHSA-N 306.366 -0.163 30 20 DBED C=CCN1CC[C@@]2(NC(=O)Cn3c(O)nnc3O)CCC[C@H]12 992445510 KNRASRCWAYQYDU-HZMBPMFUSA-N 307.354 -0.012 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CN(C(=O)c3nc[nH]n3)C[C@@]2(C)C1 993350930 VNFPNUWEFAZPTN-ISTVAULSSA-N 302.338 -0.115 30 20 DBED C[C@H](C#N)C(=O)N1CC(NC(=O)c2nnn(C(C)(C)C)n2)C1 993580732 NZDZSFJWWOHNHP-MRVPVSSYSA-N 305.342 -0.472 30 20 DBED C#CCN[C@H]1CN(C(=O)Cn2nc(C)n(C)c2=O)CC1(C)C 996576092 TURKDZCTVSFITR-LBPRGKRZSA-N 305.382 -0.650 30 20 DBED CN(C(=O)Cc1ccc(C(N)=O)nc1)C1CC(NCC#N)C1 998986358 HTRWRIYQQDHTEU-UHFFFAOYSA-N 301.350 -0.174 30 20 DBED C#CCN[C@H]1CCCN(C(=O)Cc2ccc(C(N)=O)nc2)C1 999492151 DUPVSHMYHIITJP-ZDUSSCGKSA-N 300.362 -0.063 30 20 DBED C=CCN1CC[C@@H](n2cc(CNC(=O)c3cn(C)nn3)nn2)C1 999985896 QQODDZQGFKCCCH-GFCCVEGCSA-N 316.369 -0.231 30 20 DBED C#CCN1CC=C(CNC(=O)[C@@H]2COCCN2C(C)=O)CC1 1001462285 OCDZNLKJYLWYON-HNNXBMFYSA-N 305.378 -0.385 30 20 DBED C[C@@H]1CCN(C(=O)CC(N)=O)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 1004675173 VWAMLSMQUIWKDS-BXKDBHETSA-N 317.349 -0.271 30 20 DBED C=CCn1cccc1C(=O)N[C@H]1CCN(C(=O)C(N)=O)[C@H]1C 1012020678 DWSQHJGAIDMLIG-QWRGUYRKSA-N 304.350 -0.121 30 20 DBED C#Cc1ccc(C(=O)N2CCC[C@@H](NC(=O)C(N)=O)[C@H]2C)nc1 1015184604 OSAKDTOLXACUKL-ZYHUDNBSSA-N 314.345 -0.343 30 20 DBED C=CCN1CC[C@@H](N[C@H]2C[C@H](NC(=O)Cc3ncc[nH]3)C2)C1=O 1020818869 HGZSDICUFPKZOP-JHJVBQTASA-N 317.393 -0.024 30 20 DBED C#CCNC1CCC(NC(=O)CN2CCN(C)C(=O)C2)CC1 1026517338 BJGRSNKEHHIYQK-UHFFFAOYSA-N 306.410 -0.589 30 20 DBED C#CCN1CCC[C@@H]1CNC(=O)c1nc(C)n(-c2nc[nH]n2)n1 1028060897 KZLHIZNPMOVBIC-LLVKDONJSA-N 314.353 -0.479 30 20 DBED C#CCCN1[C@H]2CC[C@H]1CN(C(=O)CN1CCOCC1=O)C2 1029339692 DHRCHIWZEVDYMM-KBPBESRZSA-N 305.378 -0.456 30 20 DBED CC#CCN1[C@H]2CC[C@H]1CN(C(=O)[C@@H]1CN(C(C)=O)CCO1)C2 1029569843 HMMRPWYADPPRLZ-JYJNAYRXSA-N 319.405 -0.068 30 20 DBED Cn1nnc(C(=O)NC2CN(Cc3ccc(F)c(C#N)c3)C2)n1 1030804571 YUXPRILAEZIZPY-UHFFFAOYSA-N 315.312 -0.165 30 20 DBED C#CCCN1CC(CNC(=O)[C@@H]2CCc3nnc(O)n3C2)C1 1031779206 NCDXKFUOEZKEQY-GFCCVEGCSA-N 303.366 -0.383 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2[C@@H](C)C(N)=O 1032453655 IMOOWRADRWDCLE-XUXIUFHCSA-N 304.394 -0.757 30 20 DBED C=C(C)CN1CC[C@H](N(C)C(=O)c2cn(CC(N)=O)nn2)C1 1033685538 MHDBMASEXAELBK-NSHDSACASA-N 306.370 -0.514 30 20 DBED C#CCCN1CCO[C@@H](CNC(=O)c2cn(C)c(=O)cn2)C1 1035451246 YZTFPSMFSMHWOH-LBPRGKRZSA-N 304.350 -0.766 30 20 DBED C#CCN1CC[C@H]2CN(C(=O)c3nnc(O)nc3O)CC[C@@H]21 1036761992 CBDGNLWYXBXFDF-UWVGGRQHSA-N 303.322 -0.548 30 20 DBED C=CCN1CC[C@H](N2CC[C@H]2CNC(=O)c2cnn[nH]2)C1=O 1038446673 CCKTWFGPBHBPAG-JQWIXIFHSA-N 304.354 -0.604 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@]1(O)CCN(C(=O)COC)C1 1039575677 DEKOGXLFGCYLSF-KGLIPLIRSA-N 300.355 -0.961 30 20 DBED CC(C)C#CC(=O)NC[C@@]1(O)CCN(C(=O)C(C)(C)C(N)=O)C1 1039668487 XELKHVGYCNNPIE-INIZCTEOSA-N 323.393 -0.763 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@]1(O)CCN(C(=O)CCCF)C1 1039724780 BECDKWRWEOLBPJ-IUODEOHRSA-N 314.357 -0.146 30 20 DBED C[C@H]1[C@@H](N=c2cc[nH]c(C#N)n2)CCN1C(=O)c1cnnn1C 1040113163 MNEDXMXYNZAUPY-UWVGGRQHSA-N 312.337 -0.386 30 20 DBED N#Cc1cccnc1N1C[C@@H](O)[C@H](NC(=O)c2cnccn2)C1 1040917316 DKLVJIYARPLSFA-CHWSQXEVSA-N 310.317 -0.277 30 20 DBED N#Cc1nccnc1N1C[C@@H](O)[C@H](NC(=O)c2n[nH]cc2F)C1 1041327785 PVLAXHJLKWNFPU-NXEZZACHSA-N 317.284 -0.810 30 20 DBED N#Cc1cnc(NC[C@@H]2CN(C(=O)C(N)=O)CCCO2)c(F)c1 1041523050 AMEZJDGJMGHETK-SNVBAGLBSA-N 321.312 -0.393 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)[C@H](C)OCC)C1 1041626112 ACTCXTMVTSXRSP-NSHDSACASA-N 300.355 -0.697 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)C[C@@H]2CCC(=O)N2C)C1 1041972990 NBVZTNARHJGCOG-LBPRGKRZSA-N 323.393 -0.347 30 20 DBED CCCC(=O)NCC(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042958901 OTMJDJLRKVGCEY-UHFFFAOYSA-N 321.377 -0.994 30 20 DBED N#Cc1nccc(N2C[C@H](O)[C@H](NC(=O)[C@H]3CCCO3)C2)n1 1043844522 FWLFJDRJFYVUCJ-OUAUKWLOSA-N 303.322 -0.807 30 20 DBED CC#CCN1CC(N(C)C(=O)[C@@H]2CCc3nnnn3CC2)C1 1043935346 DBVVXQIWKWZOPO-GFCCVEGCSA-N 302.382 -0.209 30 20 DBED C=CCCOCC(=O)N1CC(O)(CNC(=O)c2cnco2)C1 1044131580 QQHNGELJIAWMAO-UHFFFAOYSA-N 309.322 -0.430 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)Cc2nc[nH]n2)C1 1044470146 LMOLZTSOQNCTPZ-UHFFFAOYSA-N 307.354 -0.751 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)[C@H]2CC23CCOCC3)C1 1045565314 VGTIAZZZLSXPKT-NWDGAFQWSA-N 321.377 -0.348 30 20 DBED N#CCN1CC[C@@H](N2CCN(C(=O)CCn3ccnn3)CC2)C1 1046025116 UMCXVMMXDAOQLU-CQSZACIVSA-N 317.397 -0.590 30 20 DBED C#CCN1CC[C@@H](N2CCN(C(=O)[C@@H]3CCC(=O)NC3)CC2)C1 1046042862 OHCPYDIGYFTSNG-HUUCEWRRSA-N 318.421 -0.636 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3nccn3C2)C1 1047432214 DYJFDJUEVYOCPF-RDBSUJKOSA-N 302.378 -0.418 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2cccc3ncnn23)C1 1047445604 GELYIHJJNSCKCS-KBPBESRZSA-N 313.361 -0.130 30 20 DBED CN(C(=O)c1nccn2ccnc12)[C@H]1CN(CC#N)C[C@@H]1O 1047534255 SRDHSDZDIYSTDX-QWRGUYRKSA-N 300.322 -0.630 30 20 DBED CC(C)C#CC(=O)N(C)[C@H]1CN(C(=O)c2ncccn2)C[C@@H]1O 1048811280 STDLIKMGPJOIAC-STQMWFEESA-N 316.361 -0.220 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)c2cccnc2)C[C@@H]1O 1049388469 KXPYMDGESPSVCW-WXHSDQCUSA-N 302.334 -0.115 30 20 DBED CC(=O)NC(C)(C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)C#N)C1 1049394152 ICINXSBRJUULAH-DLOVCJGASA-N 324.381 -0.909 30 20 DBED Cc1nc[nH]c1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)C#N)C1 1049407306 CTLSLFHHBDPZJR-LSJOCFKGSA-N 305.338 -0.479 30 20 DBED C=CCN1CCOC[C@@H]1CNC(=O)c1nc2ncccn2n1 1051174494 JBMFSSJSKNIAPM-NSHDSACASA-N 302.338 -0.259 30 20 DBED N#Cc1cncc(N2CC[C@@H](NC(=O)c3cnco3)[C@@H](O)C2)n1 1051754241 MIMHMSKEKCUKKO-MNOVXSKESA-N 314.305 -0.294 30 20 DBED C=CCN1CCN([C@@H]2CCN(C(=O)c3cnnn3C)C2)CC1 1052023815 XXPBOHNTJDWWQD-CYBMUJFWSA-N 304.398 -0.167 30 20 DBED COCCN1C[C@@H](C(=O)N[C@H]2CCCN(CC#N)CC2)CC1=O 1052429855 OFKUNLXAJAFVPF-KBPBESRZSA-N 322.409 -0.024 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)[C@H]1CN(C)CCO1)CCO2 1053202063 DSSDISXGEAQYPR-CQSZACIVSA-N 307.394 -0.747 30 20 DBED CC(C)N1CCO[C@@H](C(=O)N2CCOC3(CN(CC#N)C3)C2)C1 1053393858 PJAZQLDBSSMEEC-CQSZACIVSA-N 322.409 -0.468 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCOC2(C1)CN([C@@H](C)C(N)=O)C2 1053437155 MMAZXUFZSVOWHB-XQQFMLRXSA-N 323.393 -0.636 30 20 DBED C=CCCN1CC2(C1)CN(C(=O)c1cn(C)c(=O)n1C)CCO2 1053545142 NDZUMFMFBPPONB-UHFFFAOYSA-N 320.393 -0.173 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)[C@H](C)n3cncn3)CO2)C1 1053782028 BIIUAGQJIMKHAF-QWHCGFSZSA-N 303.366 -0.178 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)c3cnn4ccncc34)CO2)C1 1053830826 MYBRRBHOWMPURZ-GFCCVEGCSA-N 311.345 -0.064 30 20 DBED C=CCOCC(=O)N1C[C@H]2CN(C(=O)C3=COCCO3)C[C@H]2C1 1055140671 REVGNQPTLSSAMI-BETUJISGSA-N 322.361 -0.006 30 20 DBED CCn1cc(C(=O)N[C@H]2[C@@H]3CN(c4nccnc4C#N)C[C@@H]32)nn1 1056284118 SLJWFLDCMVOELW-IWIIMEHWSA-N 324.348 -0.176 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCC[C@H]2CN(C(=O)CC(N)=O)C[C@H]21 1056651485 DVZDPPGZKAHJBF-OZVIIMIRSA-N 323.393 -0.362 30 20 DBED Cc1cnc(C(=O)N(CCO)CCNC(=O)[C@H](C)C#N)cn1 1056847401 XFWYTHROGVQUCA-SNVBAGLBSA-N 305.338 -0.505 30 20 DBED CCn1ncc(C(=O)N(CCO)CCNC(=O)C#CC(C)C)n1 1057501111 GHCZSBUEQNDAHS-UHFFFAOYSA-N 321.381 -0.492 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)c1cnn(C)n1 1057516855 BKRBCBDPLBQGKX-UHFFFAOYSA-N 307.354 -0.975 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)[C@@H]1CCCNC1=O 1057524556 HZGHLZOBPQSNBP-CYBMUJFWSA-N 323.393 -0.891 30 20 DBED Cc1nc(CC(=O)NCCN(CCO)C(=O)C#CC2CC2)n[nH]1 1057531542 STWLKBXXWARYIZ-UHFFFAOYSA-N 319.365 -0.994 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)CCc1ccncn1 1058656698 IWOLNILTKCONLM-GFCCVEGCSA-N 319.365 -0.494 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1C[C@H](NC(=O)[C@H]2CC[C@H]2C(N)=O)C1 1059368056 CKQWGSPEGKYVEL-LPWJVIDDSA-N 313.361 -0.054 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@@H](CCNC(=O)CC(N)=O)C1 1059645763 ICCJSDRXGMSRPU-VXGBXAGGSA-N 309.366 -0.745 30 20 DBED N#Cc1cncc(N[C@H]2C[C@@H](NC(=O)[C@H]3CCCNC3=O)C2)n1 1059740124 FIHODVRKKJTZBE-UMNHJUIQSA-N 314.349 -0.066 30 20 DBED N#Cc1nccnc1N[C@@H]1CC[C@@H]2CN(C(=O)C(N)=O)C[C@H]21 1060554606 ZGTCVSRDMAJUOR-OPRDCNLKSA-N 300.322 -0.518 30 20 DBED N#Cc1nc(=NC[C@H]2CCN(C(=O)[C@@H]3CCNC3=O)C2)cc[nH]1 1060952479 DCZGQKOLWPHHRK-GHMZBOCLSA-N 314.349 -0.833 30 20 DBED C=C1CCC(C(=O)N2CCOC[C@@H]2CNC(=O)CC(N)=O)CC1 1061453346 SXBUXICLQWCQHF-ZDUSSCGKSA-N 323.393 -0.048 30 20 DBED N#CCSCC(=O)N1CCOC[C@@H]1CNC(=O)c1cnn[nH]1 1061696358 UHQCKCYRBVEGLJ-VIFPVBQESA-N 324.366 -0.981 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)C1=COCCO1 1061845096 CLDBXGDZCLLVRI-MNOVXSKESA-N 309.322 -0.622 30 20 DBED C[C@H](C#N)C(=O)N1CCCC[C@@H]1CNC(=O)CS(C)(=O)=O 1062333856 FNPQYWJXSQPNJZ-GHMZBOCLSA-N 315.395 -0.312 30 20 DBED Cn1cnc(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(C#N)nn2)n1 1062485973 JCOBDXMXLVVRJG-QWRGUYRKSA-N 310.321 -0.420 30 20 DBED O=C(C#CC1CC1)NCC1(NC(=O)Cn2ncnn2)CCC1 1062977413 NGPJBQWXHRVNOI-UHFFFAOYSA-N 302.338 -0.758 30 20 DBED C#CCOCCC(=O)NCC1(NC(=O)[C@H]2CCNC2=O)CCC1 1063042073 MDMYEQDWFKVFSS-LBPRGKRZSA-N 321.377 -0.683 30 20 DBED N#Cc1cccnc1N1C[C@H]2C[C@H]1[C@@H]2NC(=O)Cn1nccn1 1064301065 MXKHCTKKZNMWBA-MBNYWOFBSA-N 309.333 -0.062 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@H]1CN(C(=O)c2cocn2)CCO1 1064971938 LVYUNXSTXVOZLE-XHDPSFHLSA-N 323.349 -0.041 30 20 DBED C[C@]1(NC(=O)[C@H]2CNC(=O)N2)CCN(c2ncccc2C#N)C1 1065326863 SHTSVSBVXRHIEF-ABAIWWIYSA-N 314.349 -0.280 30 20 DBED C=CCCCC(=O)N1CCO[C@@H](CNC(=O)CNC(N)=O)C1 1065544489 UELGDOKWOQMSRE-NSHDSACASA-N 312.370 -0.645 30 20 DBED CN(C(=O)[C@H]1CCOC1)[C@H]1CN(c2ccncc2C#N)C[C@@H]1O 1065572981 CFRBUYFDSAQTDK-CQDKDKBSSA-N 316.361 -0.002 30 20 DBED CC1(C)CN(c2nccnc2C#N)CC[C@H]1NC(=O)C(N)=O 1067336397 KUHKADPGPFCUOZ-SNVBAGLBSA-N 302.338 -0.445 30 20 DBED N#Cc1nccnc1N1C[C@H](CNC(=O)c2cnco2)[C@@H](O)C1 1067686162 AESVUZNKIFJRAI-ONGXEEELSA-N 314.305 -0.437 30 20 DBED C=CCCC(=O)N1CCOC2(C1)CN(C(=O)[C@H]1CCNC1=O)C2 1068344879 SQLZPQBLSGZNJZ-LBPRGKRZSA-N 321.377 -0.472 30 20 DBED C#CCOCCC(=O)N1CCOC2(C1)CN(C(=O)C1CC1)C2 1068397264 DBGICVMNZAYHTM-UHFFFAOYSA-N 306.362 -0.124 30 20 DBED C=CCCC(=O)N1CC2(C1)CN(C(=O)c1cnn[nH]1)CCO2 1068411420 ODDGEEFPMWLFFX-UHFFFAOYSA-N 305.338 -0.176 30 20 DBED N#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2ccnc(O)c2)C1 1069908255 OKMVKJPWGHXNCN-NEPJUHHUSA-N 313.321 -0.442 30 20 DBED C=C(C)CN1CC2(C1)CN(C(=O)C(N)=O)C[C@H]2c1n[nH]c(C)n1 1070448892 FRMLRKMXSOVURA-NSHDSACASA-N 318.381 -0.598 30 20 DBED C=CCOCC(=O)N1CCC[C@@H](NC(=O)[C@@H]2COCCO2)C1 1070553141 BPOXEBGWLVFHFK-OLZOCXBDSA-N 312.366 -0.288 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)c2cc(C#N)c[nH]2)CC1 1070951422 MVKZGCFXAQTNDZ-UHFFFAOYSA-N 313.361 -0.216 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(C(=O)Cn2cnnc2O)C[C@@H]1C 1071943437 OPWOXZXEQSZKGJ-NWDGAFQWSA-N 319.365 -0.250 30 20 DBED CNC(=O)NCC(=O)N[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1C 1072046814 YFNJZYCPTOUSPG-PWSUYJOCSA-N 306.366 -0.708 30 20 DBED C[C@@H]1CN(C(=O)Cc2nc[nH]n2)C[C@H]1NC(=O)CSCC#N 1072777950 KIUUOMCSTRTJOB-NXEZZACHSA-N 322.394 -0.433 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(N2CCN(C(=O)CC)CC2)C1 1073518224 KLENCONUPUZXGR-CYBMUJFWSA-N 307.394 -0.210 30 20 DBED C#CCCN1CCCO[C@H](CNC(=O)[C@H]2CCN(C)C2=O)C1 1073732563 REBLPWWUXGUPOE-ZIAGYGMSSA-N 307.394 -0.305 30 20 DBED C=CCOCC(=O)N1CC[C@@H](NC(=O)CC(=O)NC)[C@@H](C)C1 1073902801 HGOIBMTXDADASV-NWDGAFQWSA-N 311.382 -0.322 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)Cc3cnn(C)c3)C[C@H]21 1074195079 OTLSUBJNTQCTSG-CABCVRRESA-N 302.378 -0.103 30 20 DBED C#CCCN1CCO[C@H]2CCN(C(=O)c3ncn(C)n3)C[C@H]21 1074224956 AWPCGFGODYMLAV-OLZOCXBDSA-N 303.366 -0.246 30 20 DBED C[C@H](C#N)C(=O)N1CCC(O)(CNC(=O)Cc2ncc[nH]2)CC1 1074705058 LRJMZZHIPQVKES-LLVKDONJSA-N 319.365 -0.418 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H](C)CCNC(=O)COCCOC 1075957096 OWWAVMYQXAQTOD-QWHCGFSZSA-N 314.382 -0.301 30 20 DBED C[C@@H](CCNC(=O)c1c[nH]c(C#N)c1)NC(=O)Cn1cnnn1 1076215605 NKORZPUBVXPKQA-VIFPVBQESA-N 316.325 -0.802 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)[C@@H]1CCN(C)C1 1076220317 YRWPODMNBUDZLY-QWHCGFSZSA-N 322.409 -0.911 30 20 DBED C[C@@H](CCNC(=O)CC(=O)N(C)C)NC(=O)CSCC#N 1076568308 COSNAKFVKLRQRO-JTQLQIEISA-N 314.411 -0.268 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2cn(-c3cccnc3)nn2)C1 1077102915 ZGOODMYKOBWKAX-TZMCWYRMSA-N 312.333 -0.930 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2CN(Cc3ncccn3)C[C@H]2O)c1 1077648040 ZLLBKRVISYPCJA-HUUCEWRRSA-N 323.356 -0.172 30 20 DBED C[C@@H](CCNC(=O)[C@@H](C)C#N)NC(=O)c1nc2ncccn2n1 1078132118 KFBJHKYHLJMKOJ-UWVGGRQHSA-N 315.337 -0.091 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)CNC(=O)OC)C[C@@H]1O 1081332782 KQRGRQJQUMGUKH-MNOVXSKESA-N 313.354 -0.756 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)CNC(=O)OC)C[C@H]1O 1081332784 KQRGRQJQUMGUKH-WDEREUQCSA-N 313.354 -0.756 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)Cc2ccon2)C[C@@H]1O 1081441763 MJAAEWXLQUOXPW-JSGCOSHPSA-N 319.361 -0.044 30 20 DBED CC[C@H](C(N)=O)N1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@H](OC)C1 1081507391 SORBAZBYWVHFNT-JHJVBQTASA-N 319.365 -0.421 30 20 DBED C=C(Cl)CN1C[C@@H](NC(=O)[C@H]2COCCN2C)[C@H](OC)C1 1081560660 ISJZZGDYAHIPOM-JHJVBQTASA-N 317.817 -0.115 30 20 DBED C#CCCN1C[C@@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)[C@H](OC)C1 1081973766 SGEPSUQRDYYXLT-AALSBFMBSA-N 322.405 -0.123 30 20 DBED CCn1ncc(CN2C[C@H]3[C@@H](C2)OCCN3C(=O)[C@@H](C)C#N)n1 1083026020 LDVYZOCNHMIACL-FPMFFAJLSA-N 318.381 -0.131 30 20 DBED C=C(C)CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1COC(=O)N1 1083067227 KDUORTLAZZOKQF-FRRDWIJNSA-N 309.366 -0.027 30 20 DBED Cn1ncc(CN2C[C@H]3[C@@H](C2)OCCN3C(=O)C#CC2CC2)n1 1083076830 GJEKTROUNKITKS-LSDHHAIUSA-N 315.377 -0.360 30 20 DBED C=C(C)CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CCn1cnnn1 1083232929 ZNGSBNXINCXGAC-UONOGXRCSA-N 320.397 -0.059 30 20 DBED N#CCN[C@H]1C[C@H](CNC(=O)[C@@H]2COCCN2CC(F)F)C1 1086438768 CYJUSOQCZUVYHX-SRVKXCTJSA-N 316.352 -0.040 30 20 DBED CCN(c1nccnc1C#N)[C@H](C)CNC(=O)CC(=O)NC 1089639736 KFBIUGGERLWHQS-SNVBAGLBSA-N 304.354 -0.185 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2cn3c(n2)COCC3)[C@@H](O)C1 1090360026 IOFLNBLHUPUURA-YPMHNXCESA-N 304.350 -0.789 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2cn3c(n2)COCC3)[C@H](O)C1 1090361067 OIHPUJZWYJYEFF-GXTWGEPZSA-N 318.377 -0.398 30 20 DBED N#CCN1CC[C@H](NC(=O)c2nc[nH]c3nccc2-3)[C@H](O)C1 1090398173 VXEYZRHVNZPLGN-WDEREUQCSA-N 300.322 -0.402 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)c2cn(C)c(=O)cn2)[C@H](O)C1 1090442210 QUVFLTJLZHDWJY-WCQYABFASA-N 306.366 -0.479 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2cc(C(N)=O)ccn2)[C@@H](O)C1 1090858147 NSEKKMFNKXLMQB-OCCSQVGLSA-N 316.361 -0.631 30 20 DBED CO[C@@H](C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O)C1CC1 1091099679 SESAKJHFWYNMKY-MBNYWOFBSA-N 317.349 -0.561 30 20 DBED N#Cc1nc(=N[C@@H]2CCCC[C@H]2NC(=O)CC(N)=O)cc[nH]1 1091240935 MAVLZVGYBDIBRL-NXEZZACHSA-N 302.338 -0.515 30 20 DBED C#CCOCCC(=O)N1CCN(c2ccc3nnnn3n2)CC1 1093178104 RGOJGSKQHDHYJC-UHFFFAOYSA-N 315.337 -0.792 30 20 DBED CNC(=O)CC(=O)NC1[C@@H]2CN(c3ccc(C#N)c(C)n3)C[C@@H]12 1093241218 BCJUVHSIQWJUPQ-VXGBXAGGSA-N 313.361 -0.051 30 20 DBED Cn1ccc(C(=O)NCc2cn(C3CN(CC#N)C3)nn2)n1 1094338907 RMUHDZPQLXVKHD-UHFFFAOYSA-N 300.326 -0.678 30 20 DBED CCN1CCO[C@H](C(=O)NCCCNc2cncc(C#N)n2)C1 1094446862 NLTYTJVKUUYJJR-ZDUSSCGKSA-N 318.381 -0.013 30 20 DBED N#Cc1nc(=NCCCNC(=O)c2ccc3nn[nH]c3n2)cc[nH]1 1094850919 IQYBIOPOIANREF-UHFFFAOYSA-N 323.320 -0.332 30 20 DBED C[C@H](CNC(=O)[C@]1(C)CCNC1=O)N=c1cc[nH]cc1C#N 1098261498 QRGCAGCNHFVHES-MEBBXXQBSA-N 301.350 -0.182 30 20 DBED C[C@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)Nc1ccc(C#N)nc1 1098305172 RWMMCHNHAPOGSV-KCJUWKMLSA-N 316.321 -0.532 30 20 DBED CC(C)(O)CC(=O)N1CC[C@@H](n2cc(CNCC#N)nn2)C1 1098663358 DAFRXKWDKPXOCG-GFCCVEGCSA-N 306.370 -0.174 30 20 DBED Cn1cnc(C(=O)N2C[C@@H](NCC#N)[C@H](C(F)(F)F)C2)n1 1099247863 MPNLEGILKSSANF-HTQZYQBOSA-N 302.260 -0.069 30 20 DBED C[C@H](CCNC(=O)[C@H]1CN(C)C(=O)N1)Nc1cncc(C#N)n1 1099616275 GMEOKTCDAFABHC-MWLCHTKSSA-N 317.353 -0.321 30 20 DBED C=CCCCN1CC[C@H](NC(=O)CS(C)(=O)=O)[C@H](O)C1 1099719316 ZXMHMSZHDQZLLJ-NWDGAFQWSA-N 304.412 -0.451 30 20 DBED NC(=O)CC(=O)N[C@H]1CCN(CC#Cc2ccccc2)C[C@@H]1O 1099757803 JZMVLVXSJWHPND-GJZGRUSLSA-N 315.373 -0.535 30 20 DBED C=CCCCN1CC[C@@H](NC(=O)C2CN(C(C)=O)C2)[C@@H](O)C1 1099794572 OSFGDZNNPCTNDG-CABCVRRESA-N 309.410 -0.018 30 20 DBED COCC1(C(=O)N[C@H]2CCN(CC#N)C[C@H]2O)CCOCC1 1099865699 BWVZMCGSGKMCFY-QWHCGFSZSA-N 311.382 -0.495 30 20 DBED COCC#CCN1CC[C@H](NC(=O)Cc2cnoc2)[C@@H](O)C1 1099962754 TZVHNOXCLGVEGG-KBPBESRZSA-N 307.350 -0.582 30 20 DBED C#CCNC(=O)CC(=O)NCC1CC(NCc2nncs2)C1 1100262974 PPRCQVHLGVCJAT-UHFFFAOYSA-N 321.406 -0.338 30 20 DBED CCN(CCNC(=O)c1nccnc1N)c1nccnc1C#N 1100477759 HDDYKWCNUIQCJH-UHFFFAOYSA-N 312.337 -0.023 30 20 DBED CCN(CCNC(=O)[C@]1(C)CCNC1=O)c1ccnc(C#N)n1 1100716148 PYYDGUMSZVTYJS-OAHLLOKOSA-N 316.365 -0.183 30 20 DBED C=CCNC1CC(CNC(=O)CCCN2C(=O)CNC2=O)C1 1100964337 XOUYGVLREDNWAT-UHFFFAOYSA-N 308.382 -0.011 30 20 DBED CC#CCN1CC[C@@H](Oc2ccnc(CNC(=O)C(N)=O)c2)C1 1101096162 ZPGDOXPWSDJWEK-CQSZACIVSA-N 316.361 -0.341 30 20 DBED C=CCCN1CC2(C[C@H](NC(=O)CNC(N)=O)c3nccn32)C1 1101607168 IGONICNHJFHJDJ-NSHDSACASA-N 318.381 -0.301 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)[C@@H](CC)N(C)C)C1 1102088108 MQPNNYSYVYNTMX-RBSFLKMASA-N 322.453 -0.240 30 20 DBED CCCN(C(=O)C(N)=O)[C@H]1CCN(c2ccc(C#N)nn2)C1 1102261845 JVHJOLZQEQTRHJ-NSHDSACASA-N 302.338 -0.349 30 20 DBED CC[C@@H](CNC(=O)[C@@H]1CCC(=O)N1)Nc1cncc(C#N)n1 1103143731 HXRNOJXSKUSWFP-ONGXEEELSA-N 302.338 -0.066 30 20 DBED CC[C@@H](CNC(=O)[C@@H]1CCNC1=O)Nc1cnc(C#N)cn1 1103259732 RRCBDZVZUSVCSP-GXSJLCMTSA-N 302.338 -0.209 30 20 DBED C[C@@H]1CN(C(=O)C[C@@H]2CC(=O)NC2=O)C[C@H]1CCNCC#N 1105120387 DNLOTFQZYVWWSJ-UTUOFQBUSA-N 306.366 -0.363 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)c2cc[n+]([O-])cc2)nn1 1105714598 CXKNTAOTBJFQJM-LBPRGKRZSA-N 314.305 -0.816 30 20 DBED CCNC(=O)CCC(=O)NC[C@@H](O)CNc1ccc(C#N)nn1 1105747046 UIVNFVCPTCUSDE-NSHDSACASA-N 320.353 -0.846 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNc1cncc(C(=O)N(C)C)n1 1105773991 OOIRBTDGRPVHDS-VHSXEESVSA-N 320.353 -0.773 30 20 DBED C=CCO[C@H](C)C(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1 1105891574 GRTVQHALLMXCSS-GHMZBOCLSA-N 305.338 -0.750 30 20 DBED N#Cc1cnc(NC[C@H](O)CNC(=O)CCCCC(N)=O)cn1 1105957287 BRJRPGWTZMZWPB-NSHDSACASA-N 320.353 -0.717 30 20 DBED CN1CCCC[C@H]1C(=O)NC[C@H](O)CNc1cncc(C#N)n1 1106060122 OBNJBOZOWAMMOF-OLZOCXBDSA-N 318.381 -0.278 30 20 DBED C[C@H](NC(N)=O)C(=O)N[C@H](C)CCNc1nccnc1C#N 1106298590 WLTGIHXDFVLWQA-BDAKNGLRSA-N 305.342 -0.288 30 20 DBED CNC(=O)C1(C(=O)N[C@H](C)CCN=c2cc[nH]c(C#N)n2)CC1 1106384308 CICWXBFWGULVJE-SNVBAGLBSA-N 316.365 -0.397 30 20 DBED C=CCOCCNC[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)C[C@H]1C 1106604638 UEZXUGOAHAECPK-JHJVBQTASA-N 310.398 -0.446 30 20 DBED CCN(CCNc1ncccc1C#N)C(=O)Cn1ncnn1 1106851569 IQECPGRPROUJGY-UHFFFAOYSA-N 300.326 -0.100 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)CCCC(N)=O)C[C@H]1C 1107081615 YHLUKFXCRRGRSG-CHWSQXEVSA-N 322.409 -0.925 30 20 DBED N#Cc1cnc(NC/C=C/CNC(=O)[C@H]2CCCNC2=O)cn1 1107389560 NAFBGOQTYOWHDN-YYRQZUAOSA-N 314.349 -0.041 30 20 DBED COCC#CCN1CCO[C@@](C)(CNC(=O)[C@@H]2CCC(=O)N2)C1 1108351680 NJOKZIIAFNBBLL-BBRMVZONSA-N 323.393 -0.878 30 20 DBED C[C@@H](CN=c1cc[nH]cc1C#N)NC(=O)c1ccc(=O)n(C)n1 1108377624 BTZNXCNATHJRGO-JTQLQIEISA-N 312.333 -0.301 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)[C@H](CCC)OC)CC2=O)C1 1108560920 PWMAOUXYCWZSOS-JSGCOSHPSA-N 307.394 -0.164 30 20 DBED CC#CCN1CC(N2C[C@@H](NC(=O)[C@@H](COC)OC)CC2=O)C1 1108569583 KWJSNIAQMDIQJP-GXTWGEPZSA-N 323.393 -0.928 30 20 DBED CC(=O)NCC(=O)N[C@@]1(C)CCN(c2ccc(C#N)nn2)C1 1110718673 MMQRFASVFSDFPJ-AWEZNQCLSA-N 302.338 -0.431 30 20 DBED COC[C@H](C)C(=O)N1CCO[C@H](CN=c2cc[nH]c(C#N)n2)C1 1111946940 OTADGNKYWSVUPJ-NWDGAFQWSA-N 319.365 -0.308 30 20 DBED COC(=O)NCC(=O)N(C)CCCN(C)c1ccnc(C#N)n1 1112034987 ILLPKHORDXSTQK-UHFFFAOYSA-N 320.353 -0.011 30 20 DBED C#CCNC[C@]12CCC[C@H]1CN(C(=O)[C@@H](C)NC(=O)COC)C2 1112367124 YZYKYXIPLURPJP-KEYYUXOJSA-N 321.421 -0.011 30 20 DBED C[C@H](N=c1cc[nH]c(C#N)n1)[C@H](C)NC(=O)c1cn(C)c(O)n1 1113311888 QXEVITSWEDXOKT-IUCAKERBSA-N 315.337 -0.172 30 20 DBED C[C@H](CNC(=O)[C@@H]1COC(=O)N1)N(C)c1cnc(C#N)cn1 1113591009 NSVMTYSILQPZGT-SCZZXKLOSA-N 304.310 -0.602 30 20 DBED Cc1cc(C#N)nc(N(C)[C@@H](C)CNC(=O)CCNC(N)=O)n1 1113609642 PYUZNJLMBJCUBZ-JTQLQIEISA-N 319.369 -0.344 30 20 DBED C=CCOCCN1CCN(C(=O)[C@@H]2CCCS2(=O)=O)CC1 1113656357 FCMDTDJOEYUUSP-ZDUSSCGKSA-N 316.423 -0.090 30 20 DBED COCC#CCN1C[C@@H]2C(NC(=O)c3cn(C)c(O)n3)[C@H]2C1 1114772877 VALOAKVMXJRQOE-QWRGUYRKSA-N 304.350 -0.565 30 20 DBED C=CCCCN1C[C@H]2[C@H](NC(=O)[C@@H](C)NS(C)(=O)=O)[C@H]2C1 1114888818 OLQPZSPORISUMD-NDBYEHHHSA-N 315.439 -0.063 30 20 DBED C#CCCCNC(=O)C(=O)N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1117383121 XYOJBNQOFKSZHS-LLVKDONJSA-N 320.349 -0.989 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N1CCC[C@H](n2ccnn2)C1 1118099682 NPOCDTBKOFOYFY-AWEZNQCLSA-N 313.361 -0.073 30 20 DBED CC(=O)CCCC(=O)NC[C@H](CO)Nc1cnc(C#N)cn1 1121049442 DJCHJYDJZTXTLJ-GFCCVEGCSA-N 305.338 -0.003 30 20 DBED N#Cc1cnc(N[C@H](CO)CNC(=O)CCn2cccn2)cn1 1121072912 FLTHVMIHTOQBNF-LBPRGKRZSA-N 315.337 -0.476 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)c2ccc(O)nn2)cn1 1121176978 CAMFPCXEAZUXEW-LLVKDONJSA-N 314.305 -0.348 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](CO)Nc1ncnc2c1ncn2C 1121211919 ASZJZXCDFJINKS-DTWKUNHWSA-N 303.326 -0.588 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@H](CO)N=c1cc[nH]cc1C#N 1121405117 KWUFFTAGSNWYOM-IUODEOHRSA-N 304.350 -0.409 30 20 DBED Cc1noc(C(=O)NC[C@H](CO)N=c2cc[nH]c(C#N)n2)c1C 1122171024 ZIEVTKRYRHWDBB-SNVBAGLBSA-N 316.321 -0.422 30 20 DBED CC(=O)N[C@@H](C)C(=O)N(C)C[C@H](O)CNc1ccc(C#N)nn1 1124059466 HVVFTNSMDCEKPB-JOYOIKCWSA-N 320.353 -0.896 30 20 DBED Cc1cc(C(=O)N(C)C[C@@H](O)CNc2cncc(C#N)n2)n[nH]1 1124097227 QIEHGYOGVZSZEL-NSHDSACASA-N 315.337 -0.075 30 20 DBED CO[C@H](C)C(=O)N(C)C[C@H](O)CNc1nc(C)cc(C#N)n1 1124124031 LIXOOHKCLAPGGU-ZYHUDNBSSA-N 307.354 -0.077 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)[C@H]1CCCCO1 1124310249 PTBQLGYEAAHCHC-NWDGAFQWSA-N 319.365 -0.430 30 20 DBED COC[C@H](OC)C(=O)N(C)C[C@H](O)CNc1nccnc1C#N 1124722068 UAXOFIKZGOEBCU-PWSUYJOCSA-N 323.353 -0.759 30 20 DBED N#Cc1ccc(C(=O)NCCNCC(=O)Nc2cnccn2)[nH]1 1125776809 YOUOEIZETSKBLM-UHFFFAOYSA-N 313.321 -0.366 30 20 DBED C#CCNC(=O)CC(=O)NCCN[C@H](C)c1nc(C2CC2)no1 1126002928 PQCFKNLHVGJLSE-SNVBAGLBSA-N 319.365 -0.147 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)Cc2cnn(C)c2C)C1=O 1129053256 RDQXNHQVNAPNBJ-CQSZACIVSA-N 319.409 -0.236 30 20 DBED COCCOCCC(=O)N1C[C@H](n2ccnn2)[C@H](NCC#N)C1 1130148698 YVRQVMRXQOHLCW-OLZOCXBDSA-N 322.369 -0.804 30 20 DBED COC[C@@H](OC)C(=O)N1C[C@@H](NCC#N)[C@H](c2cn(C)cn2)C1 1130670444 YTUDZQZGSNWNGK-IACUBPJLSA-N 321.381 -0.511 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1c[nH]nc1CCC 1130721569 CJBNRNUFOVDWHK-NSHDSACASA-N 305.382 -0.181 30 20 DBED C=CCO[C@H](C)C(=O)N1C[C@H]2C[C@@H]3CN(CCO)C[C@]2(C1)O3 1131297493 DUFFJEBMGLLHKF-IXYNUQLISA-N 310.394 -0.129 30 20 DBED C[C@H]1CC[C@H](NC(=O)c2cnn[nH]2)CN1CC(=O)NCC#N 1132146068 XADOMFWHTQPTBY-UWVGGRQHSA-N 305.342 -0.973 30 20 DBED N#CCOc1ccc(CNCCNC(=O)[C@H]2CCNC2=O)cc1 1132355981 NFQYIGALIZVAKV-AWEZNQCLSA-N 316.361 -0.069 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@H]1CCCc2nn(C)cc21 1132926937 TWEQQKHINGDNQC-LBPRGKRZSA-N 317.393 -0.705 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)C[C@H](C)NCc1cnon1 1134131116 QSAPCVWYXQFNOU-QWRGUYRKSA-N 307.354 -0.418 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)CCn1cnccc1=O 1136019887 VACNQVGHBWYOFU-GFCCVEGCSA-N 321.381 -0.970 30 20 DBED CC#CCN[C@@H](C)C[C@H](C)NC(=O)CN1C(=O)CN(C)C1=O 1136131398 YNBOHZKTSSMONU-RYUDHWBXSA-N 308.382 -0.223 30 20 DBED N#CCNC(=O)CN1CCC2(C1)CN(C(=O)[C@@H]1CC1(F)F)C2 1147474733 CAWUXMWUPFFZHQ-JTQLQIEISA-N 312.320 -0.184 30 20 DBED C=C(C)CCN1CCCO[C@H](CNC(=O)Cn2ncnn2)C1 1149740405 XRBXIMRPAPXGMI-CYBMUJFWSA-N 308.386 -0.154 30 20 DBED C#CCN1CCC(CCOC)(NC(=O)[C@H]2CN(C)C(=O)N2)CC1 1151248707 SQMSGYATHAKGIF-CYBMUJFWSA-N 322.409 -0.370 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)[C@H](CC(C)C)C(N)=O)C1=O 1153795580 SXJKKFJBWRUKKC-CHWSQXEVSA-N 324.425 -0.373 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)Cc2n[nH]c(C)n2)C1=O 1157745196 GTMUUDFLCKOAHJ-GFCCVEGCSA-N 320.397 -0.462 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@@H]1CCCc2n[nH]cc21 1158087135 VWAAPHTWYMUIPH-GFCCVEGCSA-N 317.393 -0.325 30 20 DBED C=CCN1CC=C(CCNC(=O)C[C@@H]2NC(=O)NC2=O)CC1 1160385898 AZXCSTODOQQIHJ-LBPRGKRZSA-N 306.366 -0.091 30 20 DBED C=CCNC(=O)CNCCCNC(=O)c1cnn(CCF)c1 1161589585 QRKQGLJTOFHHMM-UHFFFAOYSA-N 311.361 -0.136 30 20 DBED C#CCN1CCC(CNC(=O)[C@H]2CCC(=O)NC2)(COC)CC1 1162343312 JPBJCBQAVWGRIJ-AWEZNQCLSA-N 321.421 -0.009 30 20 DBED COCC1(CNC(=O)CCNC(N)=O)CCN(CC#N)CC1 1162599463 SQTXYGLVPRBWKC-UHFFFAOYSA-N 311.386 -0.587 30 20 DBED C#CCNCC1(CCNC(=O)Cn2ccc(=O)n(C)c2=O)CC1 1165333017 KQWSCGNDSLCCTC-UHFFFAOYSA-N 318.377 -0.944 30 20 DBED C=CCCn1cc(C(=O)NCCCN[C@H](C)C(=O)NC)nn1 1167990835 DLMQOGXWWDVYSV-LLVKDONJSA-N 308.386 -0.302 30 20 DBED C=C(Cl)CNCCCNC(=O)[C@@H]1CCN(C)S1(=O)=O 1168086487 UITIBGCMCNUJFJ-JTQLQIEISA-N 309.819 -0.131 30 20 DBED C#CCNC(=O)CN1CCO[C@@H]2CCN(C(=O)CCC)C[C@H]21 1176882181 MHYPIGPSVCELDC-ZIAGYGMSSA-N 307.394 -0.162 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)[C@@H](OC)C2CC2)[C@H]1C 1178592031 VGFSDQCBPNIOAI-WHOFXGATSA-N 307.394 -0.260 30 20 DBED C#CCCN[C@H]1CCN(C(=O)c2cnc(O)n(C)c2=O)[C@H]1C 1179295539 OYJZYNAOPUDNFR-JQWIXIFHSA-N 304.350 -0.298 30 20 DBED C#CCNC[C@]1(C)CN(C(=O)C[C@@H]2CC(=O)NC2=O)C[C@H]1C 1183680544 ZGRCZIAQDXSLOP-BFQNTYOBSA-N 305.378 -0.253 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)CCc2cn[nH]c2)C1 1186213445 IGZAWYQYVASXFQ-GXTWGEPZSA-N 317.393 -0.329 30 20 DBED N#CCNC(=O)CN1C[C@@H]2CCN(C(=O)[C@H]3CCCCO3)[C@@H]2C1 1187531516 USIYIVFUIGDKKM-BFHYXJOUSA-N 320.393 -0.272 30 20 DBED Cc1conc1CN1C[C@@H](O)[C@H](NC(=O)CSCC#N)C1 1191149569 YLEPCJBXPSIQNI-VXGBXAGGSA-N 310.379 -0.099 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)c2ncoc2C)C1 1191448285 DDEUQZSDWQXBOZ-YUSALJHKSA-N 322.365 -0.551 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)[C@H](OC)C(C)C)C1 1192160826 FKQLYMWPTUAUGM-DZGCQCFKSA-N 309.410 -0.061 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)c2cc(C)nnc2C)C1 1193304172 PSKUMWONTOBVEL-HUUCEWRRSA-N 318.377 -0.482 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)C[C@@H]2CCN(C)C2)C1 1193461592 HCZWLZMVOXPJNK-GJZGRUSLSA-N 320.437 -0.390 30 20 DBED C#CCC1(C(=O)N[C@@H]2CN(CCCO)C[C@H]2O)CCOCC1 1193728243 PBJJAHDWIIPFRR-ZIAGYGMSSA-N 310.394 -0.650 30 20 DBED CN(CC(=O)NCC#N)[C@@H]1CCN(C(=O)CN2CCCC2)C1 1194028430 ZQYMHQIBISTLND-CYBMUJFWSA-N 307.398 -0.745 30 20 DBED CN(C)[C@H](C(=O)N1CCCN(CC(=O)NCC#N)CC1)C1CC1 1196162948 DHMGGQLCQNWYJP-HNNXBMFYSA-N 321.425 -0.499 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2nccn2C)C[C@H]1O 1199311714 BOVSMRIGTDWLHX-YNEHKIRRSA-N 308.382 -0.328 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)c2ccoc2)CCCO1 1199846591 LMRCVXWOFJDLIE-CQSZACIVSA-N 319.361 -0.150 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)[C@H]2CCNC(=O)C2)CCCO1 1200239166 PZGWWWMUXLADBH-UONOGXRCSA-N 307.394 -0.257 30 20 DBED C#CCNC[C@@H]1CN(C(=O)c2ccn(CCOC)n2)CCCO1 1200937709 MZPJQWBPIOBXOO-CQSZACIVSA-N 320.393 -0.017 30 20 DBED CC[C@H](F)C(=O)N1CCCO[C@@H](CNCC(=O)NCC#N)C1 1201146667 HZFFUHSXVJQWKS-RYUDHWBXSA-N 314.361 -0.419 30 20 DBED N#CCNC[C@@H]1CN(C(=O)[C@H]2CCCCN2C(N)=O)CCCO1 1201823120 GKTYWHVLZKOXOR-CHWSQXEVSA-N 323.397 -0.350 30 20 DBED C=CCOCC(=O)N[C@@H]1CN([C@H]2CCC(=O)NC2=O)C[C@H]1C 1206614600 WWTCFDFSNWNEFT-UTUOFQBUSA-N 309.366 -0.569 30 20 DBED C=CCOCC(=O)N1CCC[C@@H](NCCN2CCNC2=O)C1 1207679860 GBCTWYZLCIALBC-CYBMUJFWSA-N 310.398 -0.205 30 20 DBED CC#CCN[C@@H]1CCCN(C(=O)CCNS(C)(=O)=O)C1 1208270474 AIQIQWZSHPHQOZ-GFCCVEGCSA-N 301.412 -0.470 30 20 DBED N#CCNC(=O)CN[C@H]1CCCN(C(=O)c2cncnc2O)C1 1208393121 JSQXGTPDNAFBHR-JTQLQIEISA-N 318.337 -0.984 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)c2cccnn2)[C@H](C)C1 1209680227 LNXJTHFTLSLVAD-YRGRVCCFSA-N 315.377 -0.335 30 20 DBED C#CCN[C@H]1CCCN(C(=O)C(C)(C)NS(C)(=O)=O)C1 1210018129 IQPNTTKVGUQHKS-NSHDSACASA-N 301.412 -0.472 30 20 DBED COCC#CCN[C@H]1CCCN(C(=O)CCn2cnnn2)C1 1210282489 HCDQWCCCGBEWED-ZDUSSCGKSA-N 306.370 -0.706 30 20 DBED COCC#CCN1C[C@@H](NC(=O)c2snnc2C)[C@H](OC)C1 1211831209 RKNZOEUWXJCMAD-VXGBXAGGSA-N 324.406 -0.075 30 20 DBED CC(C)CCC(=O)N1CCO[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1217265064 KDORUHJOAMWRKL-UONOGXRCSA-N 322.409 -0.026 30 20 DBED C=CCCO[C@@H](C)C(=O)N[C@@H]1CN(CC#CCOC)C[C@@H]1O 1219324412 PJVHNFCDNWZXGH-ZNMIVQPWSA-N 310.394 -0.221 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)c2ocnc2C)C1 1219418073 NSDUWVNEYZIBKX-TUAOUCFPSA-N 322.365 -0.551 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1CN([C@@H]2CCC(=O)NC2=O)C[C@@H]1O 1220141303 OPMRXQUDWAZXBI-MXWKQRLJSA-N 309.366 -0.835 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)Cc2c(C)n[nH]c2C)C1 1220951637 KGHCDDNKEFFKOP-CABCVRRESA-N 320.393 -0.620 30 20 DBED C[C@H](C#N)C(=O)NC1CCN(C[C@H](O)Cn2cccn2)CC1 1226647627 CIPRENSDKKNMDY-OCCSQVGLSA-N 305.382 -0.016 30 20 DBED COCC#CCN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCNC1=O 1227939945 DJTAZLIZXZSRIK-BFHYXJOUSA-N 307.394 -0.211 30 20 DBED C=CCOCCN1CCC(NC(=O)C[C@H]2CC(=O)NC2=O)CC1 1230475712 QCMVLPFKOSKFMH-LBPRGKRZSA-N 323.393 -0.178 30 20 DBED Cc1cnc(C(=O)N(C)C[C@@H]2CCN2CC(=O)NCC#N)cn1 1230646018 FQPXDHYDWZYINW-LBPRGKRZSA-N 316.365 -0.429 30 20 DBED COCC#CCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCCNC1=O 1235601195 JIKYAHVJAUXAHY-KGLIPLIRSA-N 307.394 -0.305 30 20 DBED CN(C)[C@@H](CNC(=O)C(=O)Nc1cnn(CC#N)c1)C1CC1 1253368752 KBVPEVVXFUOCNA-LBPRGKRZSA-N 304.354 -0.198 30 20 DBED C=CCOCCNC(=O)C(=O)N1CCC[C@@H]1c1nncn1C 1261670520 PBLROGKKSSGCIS-LLVKDONJSA-N 307.354 -0.203 30 20 DBED C=CCNC(=O)CNC(=O)C(=O)Nc1ccn(CC(F)F)n1 1319863330 MISKSKDVQXPNGS-UHFFFAOYSA-N 315.280 -0.495 30 20 DBED C=CCSCCNC(=O)C(=O)N1CCO[C@H](C(=O)OC)C1 1322107613 REYYSQASIIHWQC-JTQLQIEISA-N 316.379 -0.578 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@@H]1CC(=O)N(C(C)C)C1)[C@@H]1CCCO1 1323783542 ZUZHQNTZKVYNBT-AGIUHOORSA-N 321.377 -0.591 30 20 DBED C#C[C@H](CC)NC(=O)C(=O)Nc1ccn(CC(=O)N(C)C)n1 1324551900 MHAUHNWZJLLICU-SNVBAGLBSA-N 305.338 -0.562 30 20 DBED C#C[C@@H](NC(=O)C(=O)N[C@H]1C[C@@H](C(=O)OC)C1)[C@@H]1CCCO1 1325716684 LEGBABMPTFDGEZ-KXNHARMFSA-N 308.334 -0.649 30 20 DBED C[C@H](O)[C@H]1CCCN1C(=O)C(=O)NC1CCN(CC#N)CC1 1330447096 GXDSLTLZEDSUMT-WCQYABFASA-N 308.382 -0.538 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CCC[C@H]([C@H](C)O)C2)nn1 1332058431 RDESDZRMIHWJKK-RYUDHWBXSA-N 321.381 -0.300 30 20 DBED C=CCOCCNC(=O)C(=O)N1CCN(c2cnn(C)c2)CC1 1333164829 FGIRWLCMVKNALY-UHFFFAOYSA-N 321.381 -0.613 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)NCc2cccc3c2OCO3)CCO1 1340830155 DNHFXAUUBOUGCZ-LLVKDONJSA-N 317.301 -0.218 30 20 DBED C[C@H](C[S@@](C)=O)NC(=O)CCn1cc(C#N)c(O)nc1=O 1362649048 KMHHGYLVEBBYEV-IJSAXESFSA-N 312.351 -0.906 30 20 DBED CN(C)C(=O)N[C@@H]1CCCN(c2[nH]c(=O)n(C)c(=O)c2C#N)C1 1363151122 BGHKWTFQLFNUAD-SECBINFHSA-N 320.353 -0.815 30 20 DBED Cn1cc(C#N)c(NC(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)n1 1365159341 DMCLBNRCTXUNHS-SECBINFHSA-N 312.355 -0.553 30 20 DBED C[C@@H](CNC(=O)CCc1nc[nH]n1)NC(=O)c1ccc(C#N)[nH]1 1389333079 RBZHHWLPSWLHGF-VIFPVBQESA-N 315.337 -0.128 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(C)(CNC(=O)CCNC(N)=O)CC1 1394487201 UKSGKJOUWROGSA-NSHDSACASA-N 323.397 -0.051 30 20 DBED CCOCC(=O)N(CCO)C1CCN(C(=O)[C@@H](C)C#N)CC1 1396629735 VZWQPJWFRHRRIQ-LBPRGKRZSA-N 311.382 -0.006 30 20 DBED C[C@H](C#N)C(=O)N1CCN(CCNC(=O)c2ccn(C)n2)CC1 1396886583 KSLMUUWWZHYQIS-GFCCVEGCSA-N 318.381 -0.546 30 20 DBED CN(CCNC(=O)c1cc(C#N)c[nH]1)C(=O)CCCC(N)=O 1408545060 QBPYJVPZEDEROJ-UHFFFAOYSA-N 305.338 -0.270 30 20 DBED C[C@H](C#N)C(=O)NC[C@](C)(NC(=O)Cn1cncn1)C1CC1 1416371296 YCYVUDRSXRWSHK-YGRLFVJLSA-N 304.354 -0.161 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](C)NC(=O)C1CCS(=O)(=O)CC1 1416864765 DTEADXDMTVSFFS-VHSXEESVSA-N 315.395 -0.408 30 20 DBED C[C@H](CNC(=O)c1cc(C#N)c[nH]1)NC[C@H](O)Cn1cccn1 1419708037 BIPHWMPEKJHHFY-YPMHNXCESA-N 316.365 -0.148 30 20 DBED CCN(CCNC(=O)[C@H](C)C#N)CC(=O)N1CCO[C@H](C)C1 1420369776 NUJJTYSBJVFIKD-CHWSQXEVSA-N 310.398 -0.169 30 20 DBED C[C@H](C#N)C(=O)NCC1CCN(C(=O)c2cnnn2C)CC1 1427595410 RMZZKHJABKDFED-SNVBAGLBSA-N 304.354 -0.057 30 20 DBED COCCN(CCNC(=O)[C@H]1CCC(=O)NC1)C(=O)[C@@H](C)C#N 1428411396 MZQAZTTWNMEPPZ-RYUDHWBXSA-N 324.381 -0.737 30 20 DBED C[C@@H](C#N)C(=O)N1CC(CNC(=O)C[C@H]2CCC(=O)NC2)C1 1432431171 VLGSNOGIAFMZEZ-WDEREUQCSA-N 306.366 -0.363 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)c2ccccn2)C1 1432781111 SNIRUWNGQGWOEJ-IAQYHMDHSA-N 302.334 -0.066 30 20 DBED COC(=O)C[C@@H](O)CNS(=O)(=O)c1ccccc1CC#N 1434585526 CWJHLIVOBNFIGZ-LLVKDONJSA-N 312.347 -0.045 30 20 DBED CN1CCC[C@H](NC[C@H](O)CNC(=O)c2cc(C#N)c[nH]2)C1=O 1482718932 RMTUXRHJLJFKKI-RYUDHWBXSA-N 319.365 -0.813 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCN[C@@H]1CCN(c2cnn(C)c2)C1=O 1493500920 QQCKVHWPBGETPP-WCQYABFASA-N 318.381 -0.267 30 20 DBED CN(CCNC(=O)c1ccc(O)nn1)C(=O)c1c[nH]c(C#N)c1 1495835905 SRZYGGDLOFXPPD-UHFFFAOYSA-N 314.305 -0.116 30 20 DBED C[C@H](C#N)C(=O)N(C)C[C@H]1CCN(C(=O)Cn2cncn2)C1 1497939815 XICBYBKLXQUSMC-VXGBXAGGSA-N 304.354 -0.255 30 20 DBED C#CCNC(=O)CN(C)C[C@H]1CCCN1C(=O)[C@@H](CC)N(C)C 1505456382 TVJAGLPOAJDPCZ-HUUCEWRRSA-N 322.453 -0.001 30 20 DBED C#CCN(C)c1nnc(C2=NO[C@H](CO)C2)n1C[C@H]1CCOC1 1519601024 YXIXJUPYCWHWGY-NEPJUHHUSA-N 319.365 -0.131 30 20 DBED COC(=O)[C@H]1CN(C(=O)c2cnccc2C#N)C[C@H]1C(=O)O 1571080697 ZYTXWUIQUGCLIS-MNOVXSKESA-N 303.274 -0.101 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1CNS(=O)(=O)C[C@H]1CNCCO1 1574832122 YCPZYOUQXNBZMG-UPJWGTAASA-N 304.412 -0.125 30 20 DBED CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1CC1(N)COC1 1578145154 ZYFWMBOJGANMTK-NSHDSACASA-N 322.369 -0.729 30 20 DBED C#CC1(O)CN(C(=O)N[C@H]2CCCn3nc(C(=O)O)cc32)C1 1588379321 DFIZSMIYUYHFGC-VIFPVBQESA-N 304.306 -0.194 30 20 DBED C#CC[C@@H](CCOC)NC(=O)CN1CCC[C@@H](C(=O)O)C1=O 1588393095 BGBRBUWZOAFSCD-NWDGAFQWSA-N 310.350 -0.146 30 20 DBED O=C(NCC#CCO)NCc1ccc(-c2nn[nH]n2)c(F)c1 1593005358 UKSVVRGCUPWMJH-UHFFFAOYSA-N 304.285 -0.199 30 20 DBED N#CCN1CCC(NC(=O)C(=O)NCCCCC(=O)O)CC1 1594609693 HQGLBNBUSWIOOK-UHFFFAOYSA-N 310.354 -0.538 30 20 DBED COC(=O)C1(C#N)CCN(S(=O)(=O)C[C@@H](C)C(=O)O)CC1 1598716089 FOVVMRSHKQRXDR-SECBINFHSA-N 318.351 -0.184 30 20 DBED N#C[C@@]12CN(c3cnc(C(=O)O)cn3)C[C@H]1CS(=O)(=O)C2 1601079574 NGHPLILLXNZPCY-UFBFGSQYSA-N 308.319 -0.451 30 20 DBED C#CCN1CC(n2cc(CNC(=O)[C@@H]3C[C@@H]3C(=O)O)nn2)C1 1602720667 BIIGNNFRSYHHER-NEPJUHHUSA-N 303.322 -0.895 30 20 DBED C=C(CCC(=O)O)C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)OC 1602778148 LBPSCNLLFUIBSR-SECBINFHSA-N 319.335 -0.794 30 20 DBED N#Cc1cn(CC(=O)NC[C@H](CC2CC2)C(=O)O)c(=O)nc1O 1608223012 NCYLVLGGAGUMLH-VIFPVBQESA-N 320.305 -0.562 30 20 DBED COC(=O)C1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)CC1 1649696305 CTXNMINTHSJMDB-LLVKDONJSA-N 317.367 -0.659 30 20 DBED Cc1nonc1C(=O)NC[C@H]1CCCCN1CC(=O)NCC#N 1752826044 JWXQAVRSKFTOOV-LLVKDONJSA-N 320.353 -0.398 30 20 DBED C[C@@H](CNC(=O)C#CC1CC1)NCC(=O)Nc1cnccn1 1752870058 PYWTZTLWPSURIX-NSHDSACASA-N 301.350 -0.077 30 20 DBED C#CCNC[C@@H](C)N(C)C(=O)c1nc(C)n(-c2nc[nH]n2)n1 1753707837 SPPVECRDEAPIGY-SECBINFHSA-N 302.342 -0.623 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H](CNC(=O)c1[nH]nnc1C)C(C)C 1753834001 ICRYSOGJJKQXKU-NWDGAFQWSA-N 320.397 -0.405 30 20 DBED CC#CCNC[C@@H]1CCC[C@H]1NC(=O)c1cn(C)c(=O)nc1O 1753900627 AANGNRAXPKVABG-WCQYABFASA-N 318.377 -0.003 30 20 DBED C[C@@H](CCNCCCN1C(=O)CNC1=O)NC(=O)[C@@H](C)C#N 1753953499 OFTXWTLCLIHFTN-QWRGUYRKSA-N 309.370 -0.428 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)C[C@H](C)NC(=O)c1nc(C)c[nH]1 1754336183 HGAASGCMBCXJDY-NWDGAFQWSA-N 305.382 -0.094 30 20 DBED CC(C)(C(=O)NC[C@@H]1CCN1CC(=O)NCC#N)N1CCCC1 1754489746 DHPXALRDMBXNOK-ZDUSSCGKSA-N 321.425 -0.309 30 20 DBED C=CCN1CC[C@@H](N2CC[C@H]2CNC(=O)CCNC(N)=O)C1=O 1754503064 STLGFXBKBMJSTJ-NWDGAFQWSA-N 323.397 -0.978 30 20 DBED COCC#CCN[C@@H](C)[C@H]1CCN(C(=O)C(=O)NCC2CC2)C1 1754802801 GZUUUHOHIVCQRM-ZFWWWQNUSA-N 321.421 -0.011 30 20 DBED C#CCN1CCC[C@](CO)(NC(=O)[C@H](C)CN2CCOCC2)C1 1754860321 DHNREIKRMCLQJW-WBVHZDCISA-N 323.437 -0.469 30 20 DBED N#CCNC(=O)CN1CCOC[C@@H]1CNC(=O)[C@@H]1CC1(F)F 1754966392 UUSCLAHSNDLWTI-UWVGGRQHSA-N 316.308 -0.902 30 20 DBED COCC#CCN1CCC[C@H](NC(=O)c2nnn(C)n2)CC1 1755028710 PIVOZBQBGFTUFT-LBPRGKRZSA-N 306.370 -0.556 30 20 DBED C=C(C)CCN1CC(CCO)(NC(=O)[C@H]2CN(C)CCO2)C1 1755331395 DFYGEIQCYVSTJQ-CQSZACIVSA-N 311.426 -0.164 30 20 DBED CN(CC#N)CCOCCNC(=O)[C@@H](NC(N)=O)C(C)(C)C 1755545572 YXTGCEKUKPVMKT-LLVKDONJSA-N 313.402 -0.342 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2cncn2C)[C@@H]1C 1755655882 DHBVQLDFKQDOCM-VXGBXAGGSA-N 303.366 -0.638 30 20 DBED COc1cccn2ncc(C(=O)N(C)C[C@H](O)CNCC#N)c12 1755790678 CYYCCXVJIHSNSM-LLVKDONJSA-N 317.349 -0.111 30 20 DBED C=CCNC(=O)CNC1CC(N(C)C(=O)[C@@H](C)CC(N)=O)C1 1755859576 YMEZZTXGVYWICC-UNXYVOJBSA-N 310.398 -0.621 30 20 DBED C=CC[C@@H](C(=O)NC[C@@H](CO)NC(=O)C(N)=O)c1ccccc1 1756526687 WOKIBQJTJKBNIA-QWHCGFSZSA-N 319.361 -0.575 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H](CO)NC(=O)/C(C)=C/C 1756529698 GIRIZDLQGWXGTF-KYYFYTAESA-N 307.394 -0.357 30 20 DBED CC#CCCCC(=O)N[C@@H]1CN(C(=O)CC(=O)N(C)C)C[C@@H]1O 1757201264 BHMWIXDFACIXFK-OLZOCXBDSA-N 323.393 -0.654 30 20 DBED C#CCCCC(=O)NCc1cc(O)nc(CNC(=O)COC)n1 1757421733 NUZXNRXAKULLIV-UHFFFAOYSA-N 320.349 -0.136 30 20 DBED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)CN 1795518873 RZPNJICXRVMSAI-XPCVCDNBSA-N 307.394 -0.416 30 20 DBED N#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCOC1 1801510824 UYPBWUZEPBDPSS-GUIRCDHDSA-N 321.377 -0.084 30 20 DBED C[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CCC1 1801984998 VESVJQLWGUFCDI-FVCCEPFGSA-N 321.377 -0.349 30 20 DBED C#CCCCC(=O)N1CCCC12CN(C(=O)[C@@H]1C[C@H](O)CN1)C2 1846374091 UIPAQWBNOLTINO-KBPBESRZSA-N 319.405 -0.284 30 20 DBED C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCN(CC(N)=O)CC1 54481832 RPCBTYHJDZXGLU-GFCCVEGCSA-N 316.361 -0.045 30 20 DBED C=CCNC(=O)CN(CCCOC)[C@H]1CCS(=O)(=O)C1 71119231 SLNNTTPTYKYBOQ-LBPRGKRZSA-N 304.412 -0.186 30 20 DBED C#CCN(CC#C)C(=O)[C@@H]1CC[C@H](C(=O)N(CC#C)CC#C)O1 190012306 DITLQIAHEAQPOY-IYBDPMFKSA-N 310.353 -0.276 30 20 DBED Cc1cc(S(=O)(=O)N[C@H]2CC(=O)N(C)C2=O)ccc1C#N 234327606 OFPYAVJQUIGGIJ-NSHDSACASA-N 307.331 -0.098 30 20 DBED C/N=C(/NCCN1CCCS1(=O)=O)N(C)C[C@H]1CCOC1 261671648 PGUIQWPSIGOHGN-GFCCVEGCSA-N 318.443 -0.434 30 20 DBED C#CCOc1ccccc1NC(=O)C(=O)N1CC(C(=O)NC)C1 274816231 PNVGISHBTRWFMT-UHFFFAOYSA-N 315.329 -0.159 30 20 DBED CCOC(=O)CO/N=C(/C(=O)Nc1nncn1C)c1cc[nH]n1 278861921 XEQHSHQPOPWROI-VCHYOVAHSA-N 321.297 -0.539 30 20 DBED C#CCN(C)S(=O)(=O)c1ccc(S(=O)(=O)NC)cc1 281475563 MTLDLLWHSLPCMZ-UHFFFAOYSA-N 302.377 -0.152 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(C)(C)NS(C)(=O)=O)C1=O 281716016 NDABGGOTQKXEON-SNVBAGLBSA-N 317.411 -0.441 30 20 DBED C#CCNC(=O)[C@H](C)Nc1cccc(C(=O)N(C)CC(N)=O)c1 284072714 KDSXHCAYJGRMBL-NSHDSACASA-N 316.361 -0.206 30 20 DBED COC(=O)[C@@H](CC(C)C)NC(=O)Cn1cncc(C#N)c1=O 289311745 FAXODUPPVIZHDN-LLVKDONJSA-N 306.322 -0.181 30 20 DBED COC[C@H](C)/N=C(/O)NC(=O)CN1CC[S@](=O)CC1(C)C 330569964 MHYBMTBJNLSEGP-CWKPULSASA-N 319.427 -0.106 30 20 DBED CCCC/N=C(/O)NC(=O)CN1CCN2C(=O)NC(=O)[C@@H]2C1 330696782 DVRGQXPKTDAPHV-VIFPVBQESA-N 311.342 -0.947 30 20 DBED CC(=O)NC[C@H]1CN(CC(=O)N/C(O)=N/C(C)(C)C)CCO1 330817423 LWEZOCJGKSIKJB-NSHDSACASA-N 314.386 -0.348 30 20 DBED CC[C@H]1CN(C(=O)Cn2cnc(C#N)n2)C[C@@H]1N1CCOCC1 332199980 RKMMQNXEUYDULM-STQMWFEESA-N 318.381 -0.281 30 20 DBED C=CCCOCCNC(=O)C(=O)N1C[C@H](C)O[C@@H](CO)C1 342006523 PTSZSCRGTICXES-NWDGAFQWSA-N 300.355 -0.697 30 20 DBED CN(CC(=O)N1CCSC[C@H]1C#N)[C@H]1CCS(=O)(=O)C1 342407391 KARIBQUJKSFSFT-WDEREUQCSA-N 317.436 -0.427 30 20 DBED C[C@@H](C#N)NC(=O)CCC(=O)Nc1ccc2nc(O)[nH]c2n1 345220618 PTXGXMBMIVJVMC-ZETCQYMHSA-N 302.294 0.410 30 20 DBED N#CC1(CN2C(=O)C(=O)N(CCCN3CCOCC3)C2=O)CC1 349141097 CMPASAPRKGJOPL-UHFFFAOYSA-N 320.349 -0.197 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C)CN(CC)CC)C1=O 353961014 RTRUQOYGCWSVGS-LLVKDONJSA-N 324.381 -0.190 30 20 DBED Cc1n[nH]c(NC(=O)c2cc(S(N)(=O)=O)cn2C)c1C#N 357239707 HNRFEJJBKGUPAQ-UHFFFAOYSA-N 308.323 -0.172 30 20 DBED CN1CC[C@@](O)(CNC(=O)C(=O)Nc2ccc(C#N)cc2)C1 358095488 PKHHQFXEHNKZJI-OAHLLOKOSA-N 302.334 -0.320 30 20 DBED Cc1ccccc1C[C@@H](CO)NC(=O)NCC(=O)NCC#N 358311042 KCCQNKONSGIECM-ZDUSSCGKSA-N 304.350 -0.163 30 20 DBED C=CC[C@H](CO)CNC(=O)C(=O)Nc1cc(C)c(=O)n(C)c1 359501190 JAEZZWSBSAKNAQ-NSHDSACASA-N 307.350 -0.067 30 20 DBED C=CCOC[C@@H](NC(=O)c1ccc2nnc(O)n2c1)C(=O)OC 360721343 KOUBVIAFUITJLH-SNVBAGLBSA-N 320.305 -0.091 30 20 DBED CN1CCNC[C@@H]1CNS(=O)(=O)c1ccc(C#N)c(F)c1 420459716 RFXGBSCKOVSSAR-LLVKDONJSA-N 312.370 -0.121 30 20 DBED C#CCN(C)S(=O)(=O)CCCS(=O)(=O)N(C)[C@@H](C)C#N 491680100 HVIJQRMCMDYSSC-NSHDSACASA-N 321.424 -0.555 30 20 DBED C#CCNC(=O)C1CCN([C@H](C)C(=O)NC(=O)NCC)CC1 491731106 AKVFMTGWXYHZNF-LLVKDONJSA-N 308.382 -0.318 30 20 DBED C#CCN(C(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1)C1CC1 491815961 QZOCHKQLCYEVIE-SNVBAGLBSA-N 310.379 -0.289 30 20 DBED CC[C@@H]1CN(C)CCN1C(=O)C(=O)Nc1ccn(CCC#N)n1 556684669 IPPDXXIFZRCIHZ-GFCCVEGCSA-N 318.381 0.288 30 20 DBED COC(=O)C[C@@H](NS(=O)(=O)c1ccsc1C#N)C(=O)O 593271783 FDSJBIUYWMILGU-ZCFIWIBFSA-N 318.332 -0.086 30 20 DBED C=CCCSCCNC(=O)C(=O)N1CCO[C@@H](C(=O)O)C1 595276039 KEQLDXAUHYWFFZ-SNVBAGLBSA-N 316.379 -0.276 30 20 DBED COC(=O)[C@@](C)(CO)NC[C@@H](O)COc1ccc(C#N)cc1 595529501 JJBJZGFMYYRAMP-IUODEOHRSA-N 308.334 -0.188 30 20 DBED CCN(CCn1cnc2c1c(=O)n(C)c(=O)n2C)[C@@H](C)C#N 595817366 LAHAWZXGFQXZNG-JTQLQIEISA-N 304.354 -0.332 30 20 DBED N#Cc1cnnc(NCCN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 596163270 ILHIOGMYTXLTMT-CDGCEXEKSA-N 309.329 0.567 30 20 DBED C=CCCSCCNC(=O)C(=O)NC[C@@H](C)S(C)(=O)=O 597282755 RIPQRJGMNQHLDH-SNVBAGLBSA-N 322.452 -0.039 30 20 DBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H]1CCNC1 599940318 LDAMYZRGZVRVJV-VXGBXAGGSA-N 315.381 -0.070 30 20 DBED CO[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(CCC#N)CC2)C1(C)C 602267914 YVERSXXIBADMGQ-QWHCGFSZSA-N 322.409 -0.026 30 20 DBED CN(C)C[C@@](C)(C#N)NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 602335922 VOWMKXIOAAXUIH-WCQYABFASA-N 316.427 -0.382 30 20 DBED Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCC#N 604544865 AVLLMUQIGBQYHZ-UHFFFAOYSA-N 312.351 -0.701 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H](CO)CC2CC2)C1=O 619045809 HCBSSNNHYKAZPS-NSHDSACASA-N 323.349 -0.512 30 20 DBED CC#CC[C@@H](CO)NC(=O)[C@@H]1CCCN1C(=O)CNC(C)=O 649188990 WMVMPEGECLIYCS-STQMWFEESA-N 309.366 -0.996 30 20 DBED C#CCCCS(=O)(=O)N1CCC[C@H](CNS(C)(=O)=O)C1 710070140 OFSYMMONAITJAL-GFCCVEGCSA-N 322.452 -0.009 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(CN(C)[C@@H](C)CC#N)c1=O 728902198 KTXKRNCIKJSDNT-LBPRGKRZSA-N 319.365 -0.265 30 20 DBED CN(C)C(=O)COc1ccccc1C(=O)OCC(=O)NCC#N 731238880 BYUKWWGDDYNPNA-UHFFFAOYSA-N 319.317 -0.050 30 20 DBED N#Cc1ccc([C@H](OC(=O)C2=NNC(=O)CC2)C(N)=O)cc1 734563429 WDCHOPRIZGGHPS-LBPRGKRZSA-N 300.274 -0.106 30 20 DBED C#C[C@H](NS(=O)(=O)c1cnn(CCOC)c1)[C@H]1CCCO1 773057164 PDEAFTVUFPSTIA-QWHCGFSZSA-N 313.379 -0.011 30 20 DBED C=CCS(=O)(=O)CCNC(=O)NCC(=O)NCC(F)F 796573627 NSHNBYCXUSDTEF-UHFFFAOYSA-N 313.326 -0.732 30 20 DBED C#CCCCS(=O)(=O)NCCN1CCN(C(C)=O)CC1 798225736 IYDYBRPHXMSRMQ-UHFFFAOYSA-N 301.412 -0.517 30 20 DBED C#CCC[C@@H](O)CNS(=O)(=O)c1ccc(-n2cnnn2)cc1 798488614 UWFONQIDOJHWTM-GFCCVEGCSA-N 321.362 -0.285 30 20 DBED CC(C)C1(O)CN(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1 806782196 VSJKBWFBHSMGMJ-OUKQBFOZSA-N 322.365 -0.075 30 20 DBED Cn1[nH]cc2c(=NC(=O)C(=O)N3CC[C@@](F)(C#N)C3)ccnc1-2 807030752 PBYCNCKNRJFXQJ-CQSZACIVSA-N 316.296 -0.256 30 20 DBED C#C[C@@H](NC(=O)C(=O)N1CCc2c[nH]nc2C1)[C@H]1CCCO1 809305862 KRSVMMOHHWQHDI-DGCLKSJQSA-N 302.334 -0.409 30 20 DBED COCCN(CCC#N)S(=O)(=O)NCC1OCCCO1 820711585 FSFUHUPHOWNRKQ-UHFFFAOYSA-N 307.372 -0.554 30 20 DBED N#C[C@@H]1CNC[C@@H]1NC(=O)CCN1C(=O)NC2(CCCC2)C1=O 834511800 OFBWWSOIZPIVOZ-MNOVXSKESA-N 319.365 -0.531 30 20 DBED C#CCOCCNC(=O)N1CCCC[C@H]1CNC(=O)CCN 841874253 DLRJNBAMCJZFTC-ZDUSSCGKSA-N 310.398 -0.335 30 20 DBED C#C[C@H](NC(=O)Cn1nc2n(c1=O)CCCC2)[C@H]1CCCO1 844485967 SCCOLZONSPAQPR-NWDGAFQWSA-N 304.350 -0.322 30 20 DBED C#CCN1CCN(C(=O)CCCCCS(N)(=O)=O)CC1 845500070 HNCZMXSQLLYSNW-UHFFFAOYSA-N 301.412 -0.387 30 20 DBED C=C[C@@H](C)ONC(=O)CCc1nc2c(O)nc(=O)n(C)c2[nH]1 846551073 QRYJYZAFWQHZQY-SSDOTTSWSA-N 307.310 -0.083 30 20 DBED CS(=O)(=O)N1CCCC[C@@H]1C(=O)N[C@H]1CCCN(O)C1=O 848137204 APONWUSHNLHKAM-VHSXEESVSA-N 319.383 -0.703 30 20 DBED C#CC1(O)CN(C(=O)NCC2(CS(C)(=O)=O)CCC2)C1 895388033 JDAUOGAPIZXHKA-UHFFFAOYSA-N 300.380 -0.409 30 20 DBED C#CC1(O)CN(S(=O)(=O)c2ccc(C(=O)OC)cc2F)C1 908228866 TTYYOJLLUCMQJP-UHFFFAOYSA-N 313.306 -0.019 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)Cn3cncn3)C2)cn1 942462156 KNOPSNIEHNEEIT-CQSZACIVSA-N 324.344 -0.315 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H]1CNC(=O)c1cc(=O)n(C)cn1 944253118 LPDODCRUUVIRRQ-GHMZBOCLSA-N 317.349 -0.339 30 20 DBED Cc1nn(CC(=O)N[C@@H]2CCN(CC#N)C[C@H]2C)c(=O)n1C 944491564 LTPVIZSIIIIGOD-ZYHUDNBSSA-N 306.370 -0.760 30 20 DBED N#Cc1ccc(C(=O)NC[C@@H]2CCCC[C@@H]2NC(=O)C(N)=O)[nH]1 946427797 IXZGYNNVPNEPNP-ONGXEEELSA-N 317.349 -0.224 30 20 DBED Cn1cc(C(=O)N2CC[C@@H]2CNC(=O)c2ccc(C#N)[nH]2)nn1 949452985 VMJXWBJOIUGJOD-SNVBAGLBSA-N 313.321 -0.341 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N(C)C(=O)c2ncn(C)n2)C1 954212366 GLVHYBLPKUBZDI-NEPJUHHUSA-N 319.365 -0.311 30 20 DBED CC(=O)N1CCO[C@H](C(=O)N(C)C2CN(C(=O)[C@H](C)C#N)C2)C1 955010235 VANWCHNEIADNMX-MFKMUULPSA-N 322.365 -0.937 30 20 DBED C#CCCN1C[C@H](CNC(=O)c2ccc3nn[nH]c3n2)[C@@H](O)C1 958120654 BCXXWEPBUWISNH-GWCFXTLKSA-N 314.349 -0.601 30 20 DBED C=C(C)CCN1C[C@H]2C(NC(=O)c3cn(CC(N)=O)nn3)[C@@H]2C1 962784825 ZPBJPPOEXYLYDQ-GHMZBOCLSA-N 318.381 -0.610 30 20 DBED Cc1ncc(C(=O)NC[C@H]2COCCN2C(=O)[C@@H](C)C#N)n1C 964307238 BTKOAQPJVIXWJO-JQWIXIFHSA-N 319.365 -0.155 30 20 DBED C[C@@H](NC(=O)c1cc(C#N)c[nH]1)C1CN(Cc2nc(O)n[nH]2)C1 969463552 PNENYSDSJZNVKP-MRVPVSSYSA-N 315.337 -0.040 30 20 DBED C#CCN1CCC(C(=O)N[C@H](C)C2CN([C@H](C)C(N)=O)C2)CC1 970921031 OMQVAMNSDUUOKG-CHWSQXEVSA-N 320.437 -0.358 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)[C@@H]3CCNC(=O)C3)C2)C1 972338605 IDVVNPQNNHYIJM-CZUORRHYSA-N 305.378 -0.551 30 20 DBED C[C@@H]1OCCO[C@@H]1C(=O)N1CC[C@]2(CN(CC#N)CCO2)C1 972417513 YYQVYBWXUGHEDW-YDHLFZDLSA-N 309.366 -0.383 30 20 DBED CC#CCN1C[C@H](NC(=O)C2CC(=O)NC(=O)C2)C(C)(C)C1 977325386 GUMYTLBDIDUWHK-LBPRGKRZSA-N 305.378 -0.111 30 20 DBED CC(C)N1CCO[C@H](C(=O)NCC2[C@@H]3CN(CC#N)C[C@@H]23)C1 978642274 ULIBYVSZDYNBPS-KKUMJFAQSA-N 306.410 -0.087 30 20 DBED C#CCCN1C[C@H]2C[C@H](NC(=O)Cn3cnnn3)CC[C@H]2C1 979521487 SLTMJEAFSYHROJ-BFHYXJOUSA-N 302.382 -0.087 30 20 DBED N#CCN[C@@H]1CCC[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)C1 981457480 PDZKUKTXNHASNE-NXEZZACHSA-N 315.337 -0.428 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@@H](NC(=O)c2cn(C)nn2)[C@@H](O)C1 991446926 SKDWKOAODGHFAZ-PWSUYJOCSA-N 321.381 -0.281 30 20 DBED C=CCN1CC[C@@H](NC2CC(N(C)C(=O)c3nc[nH]n3)C2)C1=O 999573163 KATVBQMTFSDQJY-HTAVTVPLSA-N 318.381 -0.216 30 20 DBED N#CCN1CC[C@H](n2cc(CNC(=O)[C@H]3CCCO3)nn2)C1 999964168 XOGAMWKBMWWMQT-QWHCGFSZSA-N 304.354 -0.156 30 20 DBED C#CCN1CC[C@H](n2cc(CNC(=O)c3cn(C)nn3)nn2)C1 999985947 RHYJLIBKFVYDCH-LBPRGKRZSA-N 314.353 -0.783 30 20 DBED C[C@H]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)CN1C(=O)CC(N)=O 1012409134 UVSRADUPLOOPBT-WCBMZHEXSA-N 303.322 -0.519 30 20 DBED N#Cc1c[nH]c(C(=O)N2C[C@H]3C(NC(=O)c4cnn[nH]4)[C@@H]3C2)c1 1013388155 YHMVVMFERPFXJQ-RKDXNWHRSA-N 311.305 -0.495 30 20 DBED C=CCN1CC[C@H](NC(=O)CN2CCS(=O)(=O)CC2)C1 1016243469 NKMCZSYQOUBVHP-LBPRGKRZSA-N 301.412 -0.907 30 20 DBED C#CCCN1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CN(C)C1=O 1018245584 IQTVBJHUPHFQTE-BETUJISGSA-N 318.377 -0.421 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCN(C(=O)c3cc(=O)n(C)o3)C2)C1 1019362939 ITWTWRISKQLJEU-JTQLQIEISA-N 318.333 -0.188 30 20 DBED C=CCN[C@@H]1CC[C@H]2CN(C(=O)CN3C(=O)CNC3=O)C[C@H]21 1026415948 OHLMEQXRQJXQCT-QJPTWQEYSA-N 306.366 -0.449 30 20 DBED C=C(Cl)CN1CC(CNC(=O)c2nccnc2C(N)=O)C1 1032174228 POASCTIJARMEME-UHFFFAOYSA-N 309.757 -0.010 30 20 DBED CC(=O)NCc1ccc(C(=O)NC[C@@H]2CN(CC#N)CCO2)o1 1035551654 ZDCIPHSANLVVIF-CYBMUJFWSA-N 320.349 -0.130 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)c2ccc(C(=O)NC)nc2)C1 1035584713 ZGZHJSABHFGKRV-ZDUSSCGKSA-N 316.361 -0.495 30 20 DBED C#CCN1CC2(CCN(C(=O)C[C@@H]3CC(=O)NC3=O)CC2)C1 1035862128 FPYNIERSNFJFCS-LBPRGKRZSA-N 303.362 -0.403 30 20 DBED C#CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1ccn(CCN(C)C)n1 1037406992 DHSWZMQQFHWNIC-VHDGCEQUSA-N 301.394 -0.120 30 20 DBED O=C(C#CC1CC1)NC[C@]1(O)CCN(C(=O)COCC2CC2)C1 1039678232 STXYHVHCHIHKNL-QGZVFWFLSA-N 320.389 -0.094 30 20 DBED Cc1cc(C#N)nc(N2C[C@H](NC(=O)C(N)=O)CC[C@@H]2C)n1 1039801894 PHCKHUQFPXKSDB-VHSXEESVSA-N 302.338 -0.385 30 20 DBED C#CCN1[C@H]2CCC[C@H]1CN(C(=O)C[C@H]1CC(=O)NC1=O)C2 1040025845 UPEXLVYBLSKLAG-AGIUHOORSA-N 303.362 -0.262 30 20 DBED C#CCN1CCC[C@]2(CCN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)C1 1040244755 MSMRPPGHNQFXID-LRDDRELGSA-N 318.377 -0.468 30 20 DBED CCc1nc[nH]c1C(=O)NC[C@]1(O)CCN(C(=O)[C@H](C)C#N)C1 1040536558 NHDOQJGGAUPZHO-MEBBXXQBSA-N 319.365 -0.175 30 20 DBED Cc1c[nH]nc1C(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@H]1O 1041004956 VVJRACFNQVFOPK-DGCLKSJQSA-N 312.333 -0.036 30 20 DBED Cc1nc(N2C[C@@H](O)[C@H](NC(=O)c3cnon3)C2)ccc1C#N 1041133386 FQQCXZUAMHFNJI-VXGBXAGGSA-N 314.305 -0.376 30 20 DBED CC(C)CO[C@@H](C)C(=O)NCC1(O)CN(C(=O)[C@@H](C)C#N)C1 1041780496 LANRMNWDPWVYIX-RYUDHWBXSA-N 311.382 -0.103 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)[C@@H](C)NC(=O)CC)C1 1041970160 WOBQOHZVEFMVRN-LLVKDONJSA-N 311.382 -0.443 30 20 DBED C=CCN1CC[C@@H](N2CC(N(C)C(=O)[C@@H]3COC(=O)N3)C2)C1=O 1042675848 AOMHPCQZMAYTND-NWDGAFQWSA-N 322.365 -0.976 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)c2n[nH]c(C)c2O)C1 1042802259 HSZVONHTNDGDGZ-UHFFFAOYSA-N 320.349 -0.470 30 20 DBED CO[C@@H]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042963115 HFHDDKZOALCGSN-ZIAGYGMSSA-N 320.389 -0.096 30 20 DBED N#Cc1nccnc1N1C[C@H](O)[C@H](NC(=O)[C@@H]2CCOC2)C1 1043864931 DPPPSNVUIRLBPV-JLLWLGSASA-N 303.322 -0.950 30 20 DBED CN1CCC[C@H]1C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@@H]1O 1043876602 XITLTCVBXXUWBO-AGIUHOORSA-N 316.365 -0.892 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)Cn2cncc2C)C1 1043911823 IMGRWVCMDPLJRM-UHFFFAOYSA-N 322.365 -0.916 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)c2ccc(C(N)=O)o2)C1 1044158757 LRXKCLMXWGHMMK-UHFFFAOYSA-N 321.333 -0.352 30 20 DBED C#CCN1CCC(C(=O)N(C)C2CN([C@H]3CCNC3=O)C2)CC1 1044336062 WCXCVDAACJKKRH-HNNXBMFYSA-N 318.421 -0.637 30 20 DBED C[C@@H]1OCC[C@H]1C(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1045294040 VDYKTMSYIZCIHM-WCQYABFASA-N 306.362 -0.486 30 20 DBED C=CCCCC(=O)NCC1(O)CN(C(=O)[C@@]2(C)CNC(=O)C2)C1 1045462239 BYQDEIZRERQDLO-OAHLLOKOSA-N 323.393 -0.442 30 20 DBED CCc1ocnc1C(=O)N1CC(O)(CNC(=O)[C@H](C)C#N)C1 1045541364 UZDKHAAPMKGXKL-SECBINFHSA-N 306.322 -0.300 30 20 DBED CCn1nncc1C(=O)N1CCN([C@H]2CCN(CC#N)C2)CC1 1046029615 XDWZONBRODBNCY-ZDUSSCGKSA-N 317.397 -0.346 30 20 DBED C#CCCN1CC[C@H](N2CCN(C(=O)[C@H]3CCNC3=O)CC2)C1 1046049280 MOZIOVOPZQHFCP-GJZGRUSLSA-N 318.421 -0.636 30 20 DBED Cn1nnc(C(=O)NC[C@H]2C[C@@H](Nc3ccc(C#N)nn3)C2)n1 1046534618 OPOIPICODVXTFJ-WAAGHKOSSA-N 313.325 -0.508 30 20 DBED Cn1nnc(C(=O)NC[C@H]2C[C@H](Nc3ccc(C#N)nn3)C2)n1 1046991905 OPOIPICODVXTFJ-CZMCAQCFSA-N 313.325 -0.508 30 20 DBED CN(C(=O)c1ccc2nnc(O)n2c1)[C@H]1CN(CC#N)C[C@@H]1O 1047564342 PWEVNDVTRFRKHC-QWRGUYRKSA-N 316.321 -0.924 30 20 DBED C#CCCCC(=O)N(C)[C@H]1CN(C(=O)CC(=O)NCC)C[C@@H]1O 1048749811 AKXMDDCWUCPUGV-STQMWFEESA-N 323.393 -0.654 30 20 DBED CN(C(=O)C#CC1CC1)[C@H]1CN(C(=O)c2cnns2)C[C@@H]1O 1048821509 PSEAHZDJAUUXBE-QWRGUYRKSA-N 320.374 -0.405 30 20 DBED Cc1nnccc1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)C#N)C1 1049395509 VMJJIKWMPWUAJQ-ICCXJUOJSA-N 317.349 -0.412 30 20 DBED C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CN(C(C)=O)CCO1 1049872368 VGIUFSIUJZQCCR-ARFHVFGLSA-N 319.405 -0.068 30 20 DBED C#CCCN1CCOC[C@H]1CNC(=O)c1cn(C)c(=O)n1C 1051263507 ZZHUHXCNDCTXGF-GFCCVEGCSA-N 306.366 -0.822 30 20 DBED C#CCN1CCN([C@H]2CCN(C(=O)c3cnnc(O)c3)C2)CC1 1052041519 JWDTWSZHJGQFMS-AWEZNQCLSA-N 315.377 -0.353 30 20 DBED C=CCN1CCN([C@@H]2CCN(C(=O)C3(C(N)=O)CC3)C2)CC1 1052073668 LJQKVHRLPHMXCD-CYBMUJFWSA-N 306.410 -0.344 30 20 DBED C=C(C)CCN1CC2(C1)CN(C(=O)[C@H]1COC(=O)N1)CCO2 1053241011 CXCLRAVFBDSXKV-GFCCVEGCSA-N 309.366 -0.026 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)c3cnc(C)nc3OC)CO2)C1 1053823123 DXAZSMINZDIQRY-LBPRGKRZSA-N 316.361 0.000 30 20 DBED CC1CCN(C(=O)C(=O)N[C@@H]2COC3(C2)CN(CC#N)C3)CC1 1053947370 ARLCKALRMOAFJI-ZDUSSCGKSA-N 320.393 -0.272 30 20 DBED C=CCCC(=O)N1C[C@H]2CN(C(=O)CS(C)(=O)=O)C[C@H]2C1 1055208638 VFSIMUJJMQJZFL-TXEJJXNPSA-N 314.407 -0.086 30 20 DBED CC(C)C#CC(=O)N1C[C@H]2CN(C(=O)[C@H]3COC(=O)N3)C[C@H]2C1 1055316567 IBVHKSBYRRYLLI-FRRDWIJNSA-N 319.361 -0.329 30 20 DBED COC(=O)[C@@H]1C[C@H]1C(=O)N1CCN(c2ccnc(C#N)n2)CC1 1055734598 DCOLFOXDPDJWIG-GHMZBOCLSA-N 315.333 -0.194 30 20 DBED Cc1c(C(=O)N2CCN(c3ccnc(C#N)n3)CC2)nnn1C 1055758852 UDFURGMRURPZPH-UHFFFAOYSA-N 312.337 -0.252 30 20 DBED N#Cc1nccnc1N1CCN(C(=O)CCn2ccnn2)CC1 1055783251 OAXAKTQSWCDKGR-UHFFFAOYSA-N 312.337 -0.321 30 20 DBED N#Cc1nccnc1N[C@@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 1056618346 WJMHWSVWBRFALD-SCZZXKLOSA-N 302.294 -0.531 30 20 DBED C#CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)c1cc[nH]c1C 1057302535 LRHXBTVSHSFAFS-ZDUSSCGKSA-N 321.377 -0.088 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)Cc1ccnn1C 1057454406 NZRVDPVSCRWJHQ-UHFFFAOYSA-N 320.393 -0.297 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)c1nccc(C)n1 1057464063 CYZFEZIXPFWZCX-UHFFFAOYSA-N 322.365 -0.462 30 20 DBED Cn1cc(C(=O)N[C@@H]2CCCN(c3nccnc3C#N)C2)nn1 1058155385 GNVAYLDEBZYEBV-SNVBAGLBSA-N 312.337 -0.124 30 20 DBED C=CC(C)(C)C(=O)N(CCO)CCNC(=O)C(C)(C)C(N)=O 1058304192 XHOWOZHOTFJGGN-UHFFFAOYSA-N 313.398 -0.353 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)c1cn(C)ccc1=O 1058655167 SFQCDQQRQPAKRJ-LLVKDONJSA-N 320.349 -0.904 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)c1ccc(O)nc1 1058656676 IMBBLPRJRIBZNE-JTQLQIEISA-N 306.322 -0.502 30 20 DBED C=CCOCC(=O)N1CC[C@@H](CCNC(=O)Cn2ncnn2)C1 1059337257 DLKNAFVZRNVOFM-GFCCVEGCSA-N 322.369 -0.770 30 20 DBED N#Cc1c[nH]c(C(=O)NCC[C@@H]2CCN(C(=O)CC(N)=O)C2)c1 1059379778 YRCMPZFHCGNRSV-SNVBAGLBSA-N 317.349 -0.270 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCOC[C@@H]1CNC(=O)CCOC 1061160749 OYFRPKPBIXPECM-SWLSCSKDSA-N 314.382 -0.306 30 20 DBED C=CCOCC(=O)N1CCOC[C@@H]1CNC(=O)COCCC 1061392740 XFVRPRDUBLZULF-ZDUSSCGKSA-N 314.382 -0.041 30 20 DBED CCC(=O)NCC(=O)NC[C@@H]1COCCN1C(=O)[C@H](C)C#N 1061430111 XYRFUWBYCZCSAK-GHMZBOCLSA-N 310.354 -0.984 30 20 DBED N#Cc1ccc(N2CC[C@@H](CNC(=O)[C@H]3CNC(=O)N3)C2)nc1 1061718199 SHSMSVDQGVMPAJ-NWDGAFQWSA-N 314.349 -0.423 30 20 DBED C=CC(C)(C)C(=O)NC[C@@H]1COCCN1C(=O)Cn1nccn1 1061752609 IILFGALFAIOMCD-GFCCVEGCSA-N 321.381 -0.166 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)C1(CN(C)C)CC1 1061846806 HRGVZXOOPWNWOK-STQMWFEESA-N 322.409 -0.169 30 20 DBED N#Cc1cncc(N2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CCNC2=O)n1 1062555559 IYJHCYIVKSGGAZ-SDDRHHMPSA-N 312.333 -0.726 30 20 DBED C#CCNC(=O)CC(=O)NC1(CNC(=O)C#CC(C)C)CCC1 1062956541 LRNLHUSVGBMTMY-UHFFFAOYSA-N 317.389 -0.060 30 20 DBED CN(C(=O)[C@@H]1CNC(=O)N1)[C@@H]1CCN(c2ccc(C#N)nn2)C1 1063024971 MJSLAVOSBRQTOW-MNOVXSKESA-N 315.337 -0.933 30 20 DBED C=CCCC(=O)N1CCO[C@@H](CNC(=O)[C@]2(C)CCNC2=O)C1 1064957497 LBOGOSIXASTKEB-BLLLJJGKSA-N 323.393 -0.178 30 20 DBED Cn1nncc1C(=O)N1C[C@@H]2CN(c3ccc(C#N)nn3)C[C@@H]2C1 1065997925 RBOKBJFTQJJLGY-PHIMTYICSA-N 324.348 -0.315 30 20 DBED N#Cc1nc(=NC[C@H]2CN(C(=O)[C@H]3CCOC3)CCO2)cc[nH]1 1066598677 MPSJGYMBMCGCMI-RYUDHWBXSA-N 317.349 -0.554 30 20 DBED C[C@H](C#N)C(=O)N1CCOC2(C1)CN(C(=O)[C@H](C)CC(N)=O)C2 1068450816 YXLVKQPPDQZZTB-GHMZBOCLSA-N 322.365 -0.903 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC2(C1)CN(C(=O)[C@H](C)C#N)CCO2 1068451092 GPCYUSMOPOPOGR-DOMZBBRYSA-N 321.377 -0.087 30 20 DBED C=CCCO[C@H](C)C(=O)N1CCC[C@@H](NC(=O)CC(N)=O)C1 1070518787 JGTXNTMYUMGOFA-VXGBXAGGSA-N 311.382 -0.050 30 20 DBED COCCN1CCN([C@H]2CCCN(C(=O)[C@@H](C)C#N)C2)C(=O)C1 1071258279 CPYMXCPEYZYHSG-KBPBESRZSA-N 322.409 -0.072 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)CN2CCCCCCC2=O)C1 1077093358 KFUOKNZANGGOGV-HUUCEWRRSA-N 321.421 -0.036 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H](C)CCNC(=O)CCCC(N)=O 1077180114 JYKHRPCLAYAIMI-NWDGAFQWSA-N 311.382 -0.309 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN([C@@H](C)C(=O)NC)C[C@H]2O)cc1 1077493950 RXHIHICSMYDTKD-NILFDRSVSA-N 315.373 -0.423 30 20 DBED C=CCOCC(=O)N(CC)C1CN(C(=O)[C@H]2CCC(=O)NC2)C1 1079482474 XBIVSLPGBRGFQX-LBPRGKRZSA-N 323.393 -0.226 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2nc(C)c[nH]2)C[C@@H]1O 1081346272 GGRRSBOPOCOTSV-RYUDHWBXSA-N 322.365 -0.530 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@H](CNC(=O)Cn2ccnc2)C1 1081577173 JZTOXYQSQWHHMM-OLZOCXBDSA-N 306.366 -0.215 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)c2cnc3[nH]c(O)nc3c2)C1 1083587255 LXAVEEJHMVZBOS-NEPJUHHUSA-N 315.333 -0.538 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)c2cnc3sccn3c2=O)C1 1083618322 ZROFEXKGZXXUOG-MNOVXSKESA-N 320.374 -0.283 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2c[nH]nc2-c2cccnc2)C1 1083865691 RZRCRTLZEQOUOU-KGLIPLIRSA-N 311.345 -0.120 30 20 DBED CC(=O)NCC(=O)N1CC[C@H](Nc2nccnc2C#N)[C@@H]1C 1090195323 RXENPRAETPDQCW-ONGXEEELSA-N 302.338 -0.114 30 20 DBED CC(C)OCC(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1O 1090379653 PHAGLHRLOUHNCT-VXGBXAGGSA-N 305.338 -0.561 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2cnc(OC)nc2)[C@H](O)C1 1090699236 VOUHZYILXMCDHB-QWHCGFSZSA-N 304.350 -0.327 30 20 DBED C#CCN1CC[C@H](NC(=O)C2CCN(C(C)=O)CC2)[C@H](O)C1 1090797445 ZGRMKAMUHKPOLK-LSDHHAIUSA-N 307.394 -0.571 30 20 DBED C[C@H](NC(N)=O)C(=O)N[C@H]1CCN(c2cncc(C#N)n2)[C@@H]1C 1091963228 PPHAASIPDQIWKG-NGZCFLSTSA-N 317.353 -0.512 30 20 DBED CC[C@H](NC(C)=O)C(=O)N1CCN(c2cncc(C#N)n2)CC1 1093196703 BQRBQXUKASATKR-ZDUSSCGKSA-N 316.365 -0.088 30 20 DBED N#Cc1cnc(N2C[C@H]3[C@H](NC(=O)CCn4cncn4)[C@H]3C2)cn1 1093212588 JFULZKJOQVWHMK-JYAVWHMHSA-N 324.348 -0.419 30 20 DBED Cc1nsc(NCCNC(=O)CN2CCOCC2=O)c1C#N 1094210154 GGLNCTSKVCOBCX-UHFFFAOYSA-N 323.378 -0.290 30 20 DBED N#Cc1cccnc1NCCCNC(=O)CN1CC(=O)NC1=O 1094539284 OZEWAYGGXVQKRN-UHFFFAOYSA-N 316.321 -0.577 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)[C@@H](C)n3cccn3)CC2=O)C1 1094706011 UDJXKZNNGYLNNW-OLZOCXBDSA-N 315.377 -0.521 30 20 DBED CCc1n[nH]cc1C(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1 1094753300 HHXPZOQJKKPXOG-SNVBAGLBSA-N 316.365 -0.489 30 20 DBED CCc1nocc1C(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1 1094786689 YFGWVDGWMMXLKJ-JTQLQIEISA-N 317.349 -0.225 30 20 DBED N#Cc1nccc(N2CCC(NC(=O)CNC(N)=O)CC2)n1 1095388740 QJADNVOSOWXGOH-UHFFFAOYSA-N 303.326 -0.898 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CN(C)CCO1)Nc1nccnc1C#N 1097768161 HHKDWEATXVPWAE-JQWIXIFHSA-N 304.354 -0.405 30 20 DBED C[C@H](CNC(=O)[C@@H]1CCCNC1=O)N=c1cc[nH]cc1C#N 1098120979 QUFXKIDNXBGXOC-ZYHUDNBSSA-N 301.350 -0.182 30 20 DBED CC#CCN(CCO)C1CCN(C(=O)Cn2cncn2)CC1 1098556166 JWCBWHCDNGUTBE-UHFFFAOYSA-N 305.382 -0.413 30 20 DBED C#CCNCc1cn([C@H]2CCN(C(=O)CN(C)C(C)=O)C2)nn1 1098618618 GLEGLLQCMKNTMV-AWEZNQCLSA-N 318.381 -0.747 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)CC(C)(C)C)[C@H](O)C1 1099671101 BZUIWACMWLJMRX-CHWSQXEVSA-N 309.410 -0.277 30 20 DBED C=CCOCCCC(=O)N[C@@H]1CCN(CC(=O)NC)C[C@@H]1O 1099763796 KRNLCJNGGWIAGH-OLZOCXBDSA-N 313.398 -0.733 30 20 DBED CCn1ncc(C(=O)N[C@H]2CCN(CC#CCOC)C[C@@H]2O)n1 1099802037 OHWKHEVMSDIDMP-JSGCOSHPSA-N 321.381 -0.887 30 20 DBED CC(=O)N1CCC[C@@H]1C(=O)NCCN(C)c1nccnc1C#N 1100155280 DQPSJTHTIBURML-CYBMUJFWSA-N 316.365 -0.088 30 20 DBED CCc1nc(C#N)cc(N(C)CCNC(=O)[C@H]2C[C@H]2C(N)=O)n1 1100328150 QFJMJJHGTXYNLN-MNOVXSKESA-N 316.365 -0.416 30 20 DBED CN(CCNC(=O)[C@]1(C)CCNC(=O)C1)c1ccc(C#N)nn1 1100398471 IYWCHVPFZPRIDV-OAHLLOKOSA-N 316.365 -0.183 30 20 DBED CCN(CCNC(=O)[C@H](C)NC(N)=O)c1ccnc(C#N)n1 1100500980 NAZVDYOKPGEMAM-VIFPVBQESA-N 305.342 -0.652 30 20 DBED CCN(CCNC(=O)[C@H]1C[C@H]1C(N)=O)c1ccnc(C#N)n1 1100719613 HIVIIDCOVSAYQW-ZJUUUORDSA-N 302.338 -0.588 30 20 DBED C[C@@H](CNC(=O)CS(C)(=O)=O)CNc1cncc(C#N)n1 1103868545 NDZXQHSUYLDIEQ-SECBINFHSA-N 311.367 -0.443 30 20 DBED C[C@@H](CN=c1cc[nH]cc1C#N)CNC(=O)c1c[nH]c(=O)cn1 1104167410 VJAVBLRZBXPWAI-JTQLQIEISA-N 312.333 -0.064 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)C1(C(N)=O)CC1 1104191805 KVIVWTKNNFBZLJ-VIFPVBQESA-N 302.338 -0.800 30 20 DBED C[C@@H](CNc1nccnc1C#N)N(C)C(=O)[C@@H]1CN(C)CCO1 1104538614 PGCHWHSDNMBUPV-AAEUAGOBSA-N 318.381 -0.062 30 20 DBED CNC(=O)NCC(=O)NC[C@H](N=c1cc[nH]cc1C#N)C(C)C 1105298654 ODCQIZLLFWETOE-ZDUSSCGKSA-N 318.381 -0.143 30 20 DBED C#CCNCc1cn(C2CN(C(=O)C3CCN(C)CC3)C2)nn1 1105318743 NEZBEMHNXKYKAI-UHFFFAOYSA-N 316.409 -0.274 30 20 DBED COC[C@@H](C)CC(=O)N1CC(n2cc(CNCC#N)nn2)C1 1105354629 QUOXOPHACZKULA-NSHDSACASA-N 306.370 -0.053 30 20 DBED CN(CCN(C)c1ccc(C#N)nn1)C(=O)[C@H]1CCCNC1=O 1105486007 JTCDREMQTMCQMP-LBPRGKRZSA-N 316.365 -0.231 30 20 DBED Cc1cnn(CC(=O)NC[C@H](O)CN=c2cc[nH]cc2C#N)c1 1105733815 YUIOBPUFTKSWSL-CYBMUJFWSA-N 314.349 -0.531 30 20 DBED N#Cc1cnc(NC[C@H](O)CNC(=O)CCn2ccnc2)cn1 1106039584 RPCQXEJXQCYKNT-LBPRGKRZSA-N 315.337 -0.476 30 20 DBED C#CCN1CC(n2cc(CNC(=O)[C@H](C)OCC=C)nn2)C1 1107241517 XMOARQLMGHICHS-LBPRGKRZSA-N 303.366 -0.025 30 20 DBED CN1C[C@@H](C(=O)NC/C=C/CNc2nccnc2C#N)NC1=O 1107452157 UKJQZBAECNCSLQ-VUDBWIFFSA-N 315.337 -0.544 30 20 DBED N#Cc1cnc(NC/C=C/CNC(=O)[C@H]2CCNC2=O)cn1 1107452757 ULJHWCHKOVDGPS-FMBMQGQPSA-N 300.322 -0.431 30 20 DBED CN(C)C(=O)CC(=O)NC/C=C/CN=c1cc[nH]cc1C#N 1107538247 SATKKYDJGBSOLJ-ONEGZZNKSA-N 301.350 -0.062 30 20 DBED C[C@H](CNc1ccc(C#N)nc1)NC(=O)[C@@H]1CN(C)C(=O)N1 1108041632 ZBSNMYBJIZHZCT-SKDRFNHKSA-N 302.338 -0.107 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)c2ncc(OC)cn2)C1 1108063543 SRGXPHOPIBYGQD-OAHLLOKOSA-N 304.350 -0.061 30 20 DBED C[C@H](CNc1cnc(C#N)cn1)NC(=O)[C@]1(C)CCC(=O)N1 1108091464 JBUSFQPDYZOVQZ-OTYXRUKQSA-N 302.338 -0.066 30 20 DBED C#CCCN1CCO[C@@](C)(CNC(=O)c2cnc(O)n2C)C1 1108118879 DPTPOXRZNRKSOA-HNNXBMFYSA-N 306.366 -0.030 30 20 DBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H](C)NC(C)=O 1108887882 WEKUPCIDLOGHCT-ZZVYKPCYSA-N 322.409 -0.465 30 20 DBED CN1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1109068164 QAUNAEPKRDECOY-ZOBORPQBSA-N 319.409 -0.558 30 20 DBED C[C@@H](CN(C)c1ccnc(C#N)n1)NC(=O)C[C@@H](C)NC(N)=O 1109098164 YRVWAXXXNDENJT-ZJUUUORDSA-N 319.369 -0.264 30 20 DBED C[C@H](CN(C)c1cncc(C#N)n1)NC(=O)[C@@H]1CCCNC1=O 1109127925 CMXPWVDFFBVEMF-ZYHUDNBSSA-N 316.365 -0.185 30 20 DBED C[C@H](CN(C)c1cncc(C#N)n1)NC(=O)c1c[nH]c(=O)cn1 1109231525 QQGGSCLCZJSVNF-SECBINFHSA-N 313.321 -0.314 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1[C@H]2C[C@H]1N(c1cncc(C#N)n1)C2 1109704404 SNWNPJMKDAJNSS-KANYHAFZSA-N 324.344 -0.819 30 20 DBED N#Cc1cncc(NC[C@H](NC(=O)C2(C(N)=O)CC2)C2CC2)n1 1109963618 KUWSZMAJQSNFNC-NSHDSACASA-N 314.349 -0.080 30 20 DBED C[C@@H](CC(N)=O)C(=O)N[C@]1(C)CCN(c2ccnc(C#N)n2)C1 1110802698 SZJQCQMIHRFBKQ-ZUZCIYMTSA-N 316.365 -0.055 30 20 DBED CCO[C@H](C)C(=O)N(C)[C@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1111174646 SPNBOMUMQJNAEI-WXHSDQCUSA-N 319.365 -0.219 30 20 DBED C#CCO[C@H](C)C(=O)N(CCO)CCNc1cnc(C#N)cn1 1111510988 SBQOSKSZTUCKOU-GFCCVEGCSA-N 317.349 -0.381 30 20 DBED CN(C)C(=O)CC(=O)N(CCO)CCNc1ccc(C#N)nn1 1111572916 KWAIVYDFMKTHAN-UHFFFAOYSA-N 320.353 -0.941 30 20 DBED N#Cc1ccc(N2CCC[C@@H](NC(=O)CC(N)=O)CC2)nn1 1111977987 QBJZMCSVZDYOQK-SNVBAGLBSA-N 302.338 -0.301 30 20 DBED C[C@H](Nc1ccc(C#N)nn1)[C@@H](C)NC(=O)CS(C)(=O)=O 1112925410 FMCOIWGHZGWRQP-DTWKUNHWSA-N 311.367 -0.302 30 20 DBED CC(=O)N(C)CC(=O)N[C@H](C)[C@@H](C)N=c1cc[nH]c(C#N)n1 1112962533 IMMPPYBOFRJFEL-NXEZZACHSA-N 304.354 -0.446 30 20 DBED C[C@H](Nc1nccnc1C#N)[C@@H](C)NC(=O)CCNC(N)=O 1113038988 OCLXLTAHZAFEHI-BDAKNGLRSA-N 305.342 -0.288 30 20 DBED C[C@@H](CNC(=O)CN1CCOCC1)N(C)c1nccnc1C#N 1113558166 FELRNNPQRPTPRK-LBPRGKRZSA-N 318.381 -0.379 30 20 DBED C[C@@H](CNC(=O)C(=O)NCC1CC1)N(C)c1cncc(C#N)n1 1113691851 IFMXHEUCTXIVRZ-JTQLQIEISA-N 316.365 -0.185 30 20 DBED N#Cc1cccc(CN2C[C@H]3[C@H](NC(=O)CNC(N)=O)[C@H]3C2)c1 1113849105 HOMBASMRYSGSDU-NHAGDIPZSA-N 313.361 -0.227 30 20 DBED Cc1cc(C#N)nc(N(C)[C@@H](C)CNC(=O)[C@@H]2CNC(=O)N2)n1 1113868648 AGMDLKAZHLWHIO-ONGXEEELSA-N 317.353 -0.721 30 20 DBED C[C@H](CNC(=O)[C@H]1CC(=O)N(C)C1)N(C)c1ccnc(C#N)n1 1113943994 SGWMLIFMDJDVHU-MNOVXSKESA-N 316.365 -0.233 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3coc(C)c3)[C@H]2C1 1114174338 RIFBPLNMUXYLMS-NHAGDIPZSA-N 301.346 -0.003 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)CN(C)CCC)[C@H]2C1 1115161906 PBDUFIBMHJOFOU-NYTXWWLZSA-N 320.437 -0.488 30 20 DBED CN(CCOCCO)C(=O)C(=O)Nc1ccc(OCC#N)cc1 1116921384 GMESGJOZAAITCB-UHFFFAOYSA-N 321.333 -0.005 30 20 DBED N#Cc1cc(C(=O)NC[C@@H](CO)N=c2cc[nH]cc2C#N)c[nH]1 1121354061 ZPNGUZASRNDBOS-ZDUSSCGKSA-N 310.317 -0.222 30 20 DBED Cc1cc(C(=O)NC[C@@H](CO)Nc2cnc(C#N)cn2)cnn1 1121359828 NSKAFHUAVDYWPL-LBPRGKRZSA-N 313.321 -0.351 30 20 DBED N#Cc1cnc(N[C@H](CO)CNC(=O)[C@@H]2COC(=O)N2)c(F)c1 1121386013 JZUGGKCRPLKTMS-WPRPVWTQSA-N 323.284 -0.910 30 20 DBED Cc1cn(C)nc1C(=O)NC[C@H](CO)Nc1ccc(C#N)nn1 1121447543 ZCQURBYTMKBCME-LLVKDONJSA-N 315.337 -0.407 30 20 DBED CNC(=O)CCCC(=O)NC[C@@H](CO)Nc1cnc(C#N)cn1 1121464890 NWUDQSWZDJPBPR-NSHDSACASA-N 320.353 -0.846 30 20 DBED CO[C@H](C(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1)C1CC1 1121504847 IREPYUKTLLRPAP-GWCFXTLKSA-N 305.338 -0.916 30 20 DBED N#Cc1c(F)cccc1N[C@@H](CO)CNC(=O)[C@@H]1CCNC1=O 1122353573 BUSSXVPAABILFZ-NXEZZACHSA-N 320.324 -0.278 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](O)CN(C)C(=O)[C@H]2CCOC2)n1 1124141126 QGHDGLIMMWUONE-WCQYABFASA-N 319.365 -0.076 30 20 DBED Cc1[nH]ccc1C(=O)N(C)C[C@@H](O)CN=c1cc[nH]c(C#N)n1 1124214328 VYSDPGQZLFISTE-NSHDSACASA-N 314.349 -0.048 30 20 DBED N#Cc1ccc(CNCCNC(=O)Cn2cnnc2O)cc1F 1126022184 ZQSUIVBQAWBARW-UHFFFAOYSA-N 318.312 -0.100 30 20 DBED COCCN(CCNC(=O)c1cnn[nH]1)c1cnc(C#N)cn1 1126561720 MPDLBWOYTSKBDO-UHFFFAOYSA-N 316.325 -0.651 30 20 DBED CC(C)C#CC(=O)NCCN[C@@H](C)C(=O)NC(=O)NC1CC1 1126833918 HLTYSPMHOKQEMS-NSHDSACASA-N 308.382 -0.272 30 20 DBED C=CCO[C@H](C)C(=O)NCc1cnn2c1CN(CC(N)=O)CC2 1128602390 GWZITNCYNFZSRF-LLVKDONJSA-N 321.381 -0.609 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)c2c(C)nnn2CC)C1=O 1129275546 TXPAZACOFVEBCN-LBPRGKRZSA-N 320.397 -0.287 30 20 DBED C#CCCN[C@@H]1CN(C(=O)[C@@]23COC[C@@H]2C3)C[C@@H]1n1ccnn1 1129864149 QTKKLKAAYFSMRY-FQLMCAECSA-N 315.377 -0.321 30 20 DBED CC(=O)NC1(C(=O)NCCNCC(=O)NCC#N)CCCCC1 1130379365 YRWLPDOEHWDWEF-UHFFFAOYSA-N 323.397 -0.829 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)c1nc[nH]c2nccc1-2 1130858458 WZDMNPVLBVGPNK-SNVBAGLBSA-N 316.365 -0.080 30 20 DBED C#CCNC(=O)CN1C[C@H](NC(=O)c2cn(C)nn2)CC[C@H]1C 1131998704 HYDCLKNQDOIIFL-VXGBXAGGSA-N 318.381 -0.853 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)c1cnn2cccnc12 1132215600 BBEQMTWFXFUGIA-NSHDSACASA-N 316.365 -0.261 30 20 DBED C=C(C)C[C@H](C)C(=O)NCCNCC(=O)N1CCNC(=O)C1 1132653791 SGDHEJUWFVNVSL-LBPRGKRZSA-N 310.398 -0.747 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)c1conc1CC 1133489759 XDGKXDBOWYRKGB-UHFFFAOYSA-N 323.353 -0.432 30 20 DBED CC#CCN[C@H](C)C[C@H](C)NC(=O)CCn1cc[nH]c(=O)c1=O 1135686226 FCDLJWDIOLYTOU-OLZOCXBDSA-N 320.393 -0.177 30 20 DBED N#CCNC(=O)CN1CCCO[C@H](CNC(=O)c2cocn2)C1 1149384752 WUWRKLLYAQAJBM-LLVKDONJSA-N 321.337 -0.865 30 20 DBED C#CCN1CCC(CCOC)(NC(=O)CNC(=O)NC)CC1 1151155692 LWGBSVJJPVGPBZ-UHFFFAOYSA-N 310.398 -0.464 30 20 DBED C=CCN(CC)[C@H](C)CNC(=O)CCn1cc[nH]c(=O)c1=O 1155851267 SMIDJTLSTSJLGP-GFCCVEGCSA-N 308.382 -0.061 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)Cc2cc[nH]n2)C1=O 1156062887 RVYHOJPLVZPJPX-ZDUSSCGKSA-N 305.382 -0.165 30 20 DBED COCC#CCNCCCNC(=O)[C@H](C)CN1CCOCC1 1176152806 LEOVGOGMUIRQTR-OAHLLOKOSA-N 311.426 -0.300 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)NCCCNCCCO 1176966814 MFBRBPJGYKARCL-UHFFFAOYSA-N 300.403 -0.272 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)CNC(=O)OC)[C@H]1C 1178215891 FLJNENMKTGBTHB-SRVKXCTJSA-N 324.381 -0.941 30 20 DBED CCN(CCC#N)C(=O)CN[C@@H]1CCN(C(=O)[C@@H](C)OC)C1 1181310392 VVJHEKWFSBBJLF-CHWSQXEVSA-N 310.398 -0.026 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2nccc(C)n2)C1 1182241261 XZFSPPXRWCHSKM-CHWSQXEVSA-N 315.377 -0.273 30 20 DBED Cc1cc(C(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)c(C)nn1 1182893100 FHTAWIKWGATZFV-GFCCVEGCSA-N 316.365 -0.463 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)NC2)C1 1183869146 SQHUGTARXMMPQX-VXGBXAGGSA-N 308.382 -0.995 30 20 DBED CC#CCNC[C@@H]1CCN(C(=O)CS(=O)(=O)NC)C[C@H]1C 1185718367 IYPQCCNSFPEZFA-OLZOCXBDSA-N 315.439 -0.367 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)Cn2ccccc2=O)C1 1187719987 CZINUCYRBHXFMK-CYBMUJFWSA-N 318.377 -0.659 30 20 DBED C=CCO[C@H](C)C(=O)N1CC[C@@H](NCC(=O)NC(=O)NC)C1 1188310046 MLDXTSMZRPRHRD-GHMZBOCLSA-N 312.370 -0.776 30 20 DBED C=CCOCCN[C@@H]1CCN(C(=O)C[C@@H]2CC(=O)NC2=O)C1 1188495064 GGZWUPIKBPTGNN-NWDGAFQWSA-N 309.366 -0.568 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2n[nH]cc2C)C1 1190016615 ZJDWIEZBAUEEJF-GFCCVEGCSA-N 303.366 -0.386 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)/C=C/C(C)(C)C)C1 1191825096 YGIYNHLTFTTWQM-RBTFIAGQSA-N 321.421 -0.112 30 20 DBED CCn1nc(C)c(CN2C[C@@H](O)[C@H](NC(=O)[C@@H](C)C#N)C2)n1 1191872279 HWMJSCVODFDGEX-ZWKOPEQDSA-N 306.370 -0.573 30 20 DBED CC#CCN(C)[C@H]1CCN(C(=O)CCCS(N)(=O)=O)C1 1192094265 QJMYNJSDIHWDMC-LBPRGKRZSA-N 301.412 -0.389 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1195761121 JRHQABKRHZFARX-VXGBXAGGSA-N 310.354 -0.512 30 20 DBED C[C@@H](C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1O)C(C)(F)F 1196260560 RYSHSYRGIDPSOM-IVZWLZJFSA-N 318.324 -0.921 30 20 DBED COc1ccccc1OCC(=O)N[C@@H]1CN(CC#N)C[C@H]1O 1198599725 MIPPYQUUSLAAED-VXGBXAGGSA-N 305.334 -0.241 30 20 DBED C=CCOCC(=O)N1CCC(NCCNS(C)(=O)=O)CC1 1199796096 AQNOAJMXTQBGAD-UHFFFAOYSA-N 319.427 -0.681 30 20 DBED C=CCOCC(=O)N1CCCO[C@@H](CNC[C@@H](O)COC)C1 1200109432 SSWYEBNTSNBCSE-KGLIPLIRSA-N 316.398 -0.597 30 20 DBED C#CCNC(=O)CC(=O)N1CCCO[C@H](CNCC#CC)C1 1200329176 HAJXQYXHVMEQOH-CQSZACIVSA-N 305.378 -0.644 30 20 DBED COCC#CCNCC1CCN(C(=O)CNC(=O)C2CC2)CC1 1204624171 BIUZONCIRYJOIF-UHFFFAOYSA-N 321.421 -0.009 30 20 DBED COCC#CCNCC1CCN(C(=O)[C@@]2(C)CNC(=O)C2)CC1 1205744579 XQMVQTCLPMJTIG-QGZVFWFLSA-N 321.421 -0.009 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)c1cn(C)cn1 1206869673 RAZUCRSAXJRTMG-GHMZBOCLSA-N 304.354 -0.890 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)c2cnsn2)C1 1207498851 ONBNOJCYWSXNSD-JTQLQIEISA-N 307.379 -0.518 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)c2cncn2C)[C@H](C)C1 1207874672 UUYJQFAAWAHBEF-FRRDWIJNSA-N 317.393 -0.392 30 20 DBED N#CCNC(=O)CN[C@H]1CCCN(C(=O)c2ccnnc2)C1 1209797439 QPLOEUYQOKXBGP-LBPRGKRZSA-N 302.338 -0.689 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)Cc2nonc2C)C1 1210411147 DVFJSHZPEYZTCK-GFCCVEGCSA-N 319.365 -0.749 30 20 DBED CO[C@@H]1CN(CC(=O)N(C)C)C[C@H]1NC(=O)C#CC(C)(C)C 1212253225 AIXUZYMUVJKOAQ-CHWSQXEVSA-N 309.410 -0.061 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1CN(Cc2nnn(C)n2)C[C@H]1OC 1213268943 ZPDKZDIDOJFKLP-GHMZBOCLSA-N 308.386 -0.262 30 20 DBED COC[C@@H](O)CN[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C 1214450253 RNMNPLSPZPEZQZ-SCDSUCTJSA-N 306.366 -0.056 30 20 DBED CO[C@H](C)CCC(=O)N1C[C@@H](NCC(=O)NCC#N)[C@H](C)C1 1214478045 OGJJSFQBMAVLMX-JHJVBQTASA-N 310.398 -0.122 30 20 DBED C#CCCN[C@@H]1CN(C(=O)[C@@H](CCC)S(N)(=O)=O)C[C@H]1C 1215228326 JXPPXDNKQRSKIV-JHJVBQTASA-N 315.439 -0.097 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)c2csc(O)n2)C[C@H]1C 1215358027 QKVAMWQKHVMPHX-NXEZZACHSA-N 322.390 -0.352 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)C[C@@H](C)NC(N)=O 1217894916 KQKOFSNSMKTLDP-FRRDWIJNSA-N 308.382 -0.632 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2nccs2)C1 1220594318 YMTNGHYWSZMNRS-ZJUUUORDSA-N 310.379 -0.780 30 20 DBED C=CCC1(C(=O)N[C@@H]2CN(CCCO)C[C@@H]2O)CCOCC1 1220868085 RDNPEQMPLDEEHO-KGLIPLIRSA-N 312.410 -0.097 30 20 DBED CCCOCC(=O)NCC1CCN(CC(=O)NCC#N)CC1 1222565425 YLZCHUZYDNNTPR-UHFFFAOYSA-N 310.398 -0.119 30 20 DBED C#CCN1CCC(CNC(=O)[C@@H](C)NS(=O)(=O)CC)CC1 1223274862 ZEGXUEXRWUYOMG-GFCCVEGCSA-N 315.439 -0.224 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)CNC(=O)C2CC2)CC1 1226252566 MSESECJYKUGYJL-UHFFFAOYSA-N 322.409 -0.605 30 20 DBED Cn1ccc(CC(=O)NC2CCN(CC(=O)NCC#N)CC2)n1 1227257854 GITPPFGILULWBH-UHFFFAOYSA-N 318.381 -0.817 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@H]1CN(C)C(=O)c1ncc[nH]1 1234119946 SETPANHIOHLFRJ-RYUDHWBXSA-N 303.366 -0.306 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C[C@H]1CCN1CC(=O)NCC=C 1234214954 GHNFQCWSLDTTET-UONOGXRCSA-N 307.394 -0.140 30 20 DBED CN(C)CCn1ccc(NC(=O)C(=O)NCC2(C#N)CC2)n1 1256429102 WKSHNGYNAXAJJG-UHFFFAOYSA-N 304.354 -0.197 30 20 DBED C#CCCCNC(=O)C(=O)N[C@H]1CCc2nc(COC)nn2C1 1261155517 LDFQCIXZUYVBGY-NSHDSACASA-N 319.365 -0.615 30 20 DBED CCN1CCC(NC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)CC1 1261462571 VPGGIJBIJMLYKW-HNNXBMFYSA-N 308.382 -0.536 30 20 DBED C=CCN(C)c1nnnn1CCCN(C)S(=O)(=O)CC 1262169211 ZDRHTXIQYBABJX-UHFFFAOYSA-N 302.404 -0.033 30 20 DBED C=CCCOCCNC(=O)C(=O)NCc1nnc2n1CCC2 1321632011 IPAAOHZXXCHIKY-UHFFFAOYSA-N 307.354 -0.451 30 20 DBED CO[C@@H]1[C@H](C)[C@@H](NC(=O)C(=O)N2CCO[C@@H](C#N)C2)C1(C)C 1323764060 QGMQAAQLJRBJIB-WRWGMCAJSA-N 309.366 -0.087 30 20 DBED C#CC[C@@H](CO)NC(=O)CCc1nc(-c2ncccn2)no1 1326396971 KZKLAPBSVWXWOI-JTQLQIEISA-N 301.306 -0.040 30 20 DBED C#C[C@H](NC(=O)C(=O)Nc1ccc(=O)n(CC(N)=O)c1)C(C)C 1326469958 AEZMSYYYNUESQR-NSHDSACASA-N 318.333 -0.954 30 20 DBED C=CCn1cc(C(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)nn1 1327120955 KABWXDLDPSQVKP-GFCCVEGCSA-N 316.369 -0.008 30 20 DBED N#C[C@@]1(F)CCN(C(=O)C(=O)NCc2nnc3n2CCC3)C1 1327372021 HGLKBGSBNIHWAY-ZDUSSCGKSA-N 306.301 -0.695 30 20 DBED C=C(C)CN(C)C(=O)C(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 1328458579 ZFLJRYLACCNEOZ-NSHDSACASA-N 317.411 -0.581 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCN(C[C@@H]2CCCO2)CC1 1329098078 CEGJNJKIVQJFPR-AWEZNQCLSA-N 323.393 -0.924 30 20 DBED C=CCN(c1nnnn1CCOC)[C@H]1CCS(=O)(=O)C1 1332488040 RANDEYCCOBVPBY-JTQLQIEISA-N 301.372 -0.501 30 20 DBED CC(C)OC[C@@H](CO)N(C)C(=O)C(=O)N1CCC[C@H](C#N)C1 1335561688 RFPWEZSOVYENTH-CHWSQXEVSA-N 311.382 -0.007 30 20 DBED C=CCS(=O)(=O)CCn1nnnc1N1CCOC[C@@H](C)C1 1335896412 QRUBZKDXLDVDPZ-NSHDSACASA-N 315.399 -0.253 30 20 DBED C=C(C)COCCn1nnnc1N1CC[C@H](S(C)(=O)=O)C1 1337280881 RWXQMUHBLUOILV-NSHDSACASA-N 315.399 -0.111 30 20 DBED C=CCn1c(N2CCNC(=O)[C@@H]2CC)nnc1[C@]1(O)CCOC1 1342442811 LLSWRTMMEQDLCP-NHYWBVRUSA-N 321.381 -0.213 30 20 DBED Cc1nc(CNC(=O)C(=O)N2CC[C@](O)(CC#N)C2)cs1 1345825458 HSTMWWWEHWXLIJ-CYBMUJFWSA-N 308.363 -0.055 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N1CCC(S(C)(=O)=O)CC1 1347040039 UGMMXUCZNPZSQP-JTQLQIEISA-N 318.395 -0.661 30 20 DBED CS(=O)(=O)c1ccc2ncn(CC(=O)NCC#N)c(=O)c2c1 1347320954 XMIOXDASYJYWGD-UHFFFAOYSA-N 320.330 -0.560 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)NCc1nc(C(N)=O)cs1 1347586109 JSYWENBISKEZDW-SSDOTTSWSA-N 312.351 -0.825 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)C(=O)Nc2cccc(C(N)=O)c2)C1 1349156880 ZTLJMRKABXLFFV-OAHLLOKOSA-N 316.317 -0.399 30 20 DBED COCCN(CCC#N)C(=O)Cn1cc(C#N)c(O)nc1=O 1362218324 CRCQNEPRDZZNJL-UHFFFAOYSA-N 305.294 -0.791 30 20 DBED CC(C)(CC#N)CS(=O)(=O)N1CC[C@@H](S(N)(=O)=O)C1 1364828942 PLUGRQPRLPNRLP-SECBINFHSA-N 309.413 -0.381 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CCN(C)CC(=O)NC(N)=O)CC1 1374400972 LTWBFYHGXRWQJJ-LLVKDONJSA-N 323.397 -0.099 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(CCN(C)C(=O)c2cn[nH]c2)CC1 1374485075 OXSSWTVUEBCUQF-LBPRGKRZSA-N 318.381 -0.214 30 20 DBED Cc1nn(C)c(=O)c(C(=O)N[C@H](C)CNC(=O)[C@@H](C)C#N)c1C 1377210284 GKKAFWPSIMDNCQ-DTWKUNHWSA-N 319.365 -0.209 30 20 DBED CC(=O)N[C@@H](C)C(=O)NCCN(C)C(=O)c1ccc(C#N)[nH]1 1387614488 OTMOHCUBZQIBLD-VIFPVBQESA-N 305.338 -0.401 30 20 DBED N#Cc1cn(CCC(=O)N2CC(OC(F)F)C2)c(=O)nc1O 1412087315 RZWUENUJEHXPQG-UHFFFAOYSA-N 314.248 -0.339 30 20 DBED C[C@H]1OCC[C@@]12CN(c1[nH]c(=O)n(C)c(=O)c1C#N)CCO2 1413892748 KRMAGAAPFVNSGH-YMTOWFKASA-N 306.322 -0.671 30 20 DBED COC(=O)c1cncc(Cn2c(=O)c(C#N)c(C)n(C)c2=O)c1 1413916097 CYMATZDVWDWWNW-UHFFFAOYSA-N 314.301 -0.043 30 20 DBED Cc1nn(C)cc1C(=O)NCCn1cc(C#N)c(O)nc1=O 1418528745 GKJXTXBJKHCNII-UHFFFAOYSA-N 302.294 -0.708 30 20 DBED N#Cc1nc(=NCc2ccc(C(=O)NCC(N)=O)cc2)cc[nH]1 1421044692 GLFILHYBIRMQQM-UHFFFAOYSA-N 310.317 -0.403 30 20 DBED CCOCC1(C(=O)N(C)C[C@@H](O)CNC(=O)[C@@H](C)C#N)CC1 1428227284 REQHXNRKXAQHIR-RYUDHWBXSA-N 311.382 -0.102 30 20 DBED CNC(=O)NCCC(=O)NC[C@H](NC(=O)[C@@H](C)C#N)C(C)C 1433093526 OOVXZMXLIOAVEW-QWRGUYRKSA-N 311.386 -0.278 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1cnn2c1OCCC2 1433316117 CQBUTTRNTUTPFR-NXEZZACHSA-N 321.337 -0.968 30 20 DBED C[C@H]1[C@H](CO)CCN1C(=O)CCn1cc(C#N)c(O)nc1=O 1433946793 GBPODHKIERYRSG-UWVGGRQHSA-N 306.322 -0.560 30 20 DBED C=C(Cl)CN[C@H](C)[C@H]1CN(C(=O)CS(C)(=O)=O)CCO1 1448470022 RMFYRGPDDGOWMP-GHMZBOCLSA-N 324.830 -0.011 30 20 DBED CCC1(C(=O)NC[C@@H](O)CNC(=O)[C@@H](C)C#N)CCOCC1 1452393729 WJPHCVXGEHEVOA-RYUDHWBXSA-N 311.382 -0.054 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)CCCN1CCCC1 1452398068 SSKIICQMYFQEKP-QWHCGFSZSA-N 310.398 -0.385 30 20 DBED CNC(=O)NCC(=O)NC[C@@H](C)NC(=O)c1c[nH]c(C#N)c1 1452501469 PVRWNBDIANTQPN-MRVPVSSYSA-N 306.326 -0.950 30 20 DBED C[C@H](C#N)C(=O)NC1CN([C@H]2CCN(c3cnn(C)c3)C2=O)C1 1481549649 FPYGTTBKUCTOBZ-MFKMUULPSA-N 316.365 -0.515 30 20 DBED C=C(Cl)CN[C@@H](C)[C@@H]1CN(C(=O)Cn2cnnn2)CCO1 1485631242 RDHRDSJDFVXFEW-QWRGUYRKSA-N 314.777 -0.369 30 20 DBED C[C@@H](C#N)C(=O)NC[C@](C)(NC(=O)Cc1nc[nH]n1)C1CC1 1531791327 NNRHJOCGHAIMBP-XPTSAGLGSA-N 304.354 -0.092 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1cnn2cc[nH]c12 1533309572 UCBZUIYPYNTALC-BDAKNGLRSA-N 304.310 -0.971 30 20 DBED CC#CC[C@H](CO)NC(=O)c1nc(O)c(-c2nn[nH]n2)cc1C 1588738817 SGIGBMPTUDBUQC-SECBINFHSA-N 316.321 -0.220 30 20 DBED CC(C)[C@H](NC=O)C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[nH]1 1589765707 MLHJCVJQSPYNHB-ZETCQYMHSA-N 303.286 -0.829 30 20 DBED COc1nn(C)cc1CNc1cnc(C#N)c(-c2nn[nH]n2)n1 1591669958 DQWZRGXOCKXZJN-UHFFFAOYSA-N 312.297 -0.117 30 20 DBED N#Cc1ccc(NCCNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)nn1 1592697215 QZLXNKMNGIYQDC-UHFFFAOYSA-N 324.308 -0.302 30 20 DBED O=C(O)CCN1CCC[C@H](n2ccc(C=NO)nc2=O)C1=O 1602012619 KSEABIKAKUHBEQ-JTQLQIEISA-N 308.294 -0.310 30 20 DBED C#CCNC(=O)CN1CCN(c2cnc(C(=O)O)cn2)CC1 1602725553 YAKLCURRTVLXND-UHFFFAOYSA-N 303.322 -0.954 30 20 DBED C=C(C)C(C)(C)C(=O)N1CC(O)(CNC(=O)[C@H]2C[C@H]2C(=O)O)C1 1602744863 PFUMHCLGGXGYAA-WDEREUQCSA-N 324.377 -0.001 30 20 DBED C[C@@H](CNc1cncc(-c2nn[nH]n2)n1)NC(=O)[C@H](C)C#N 1602983220 GNYMVTVIIXHBDS-SFYZADRCSA-N 301.314 -0.267 30 20 DBED C[C@]1(C#N)CN(C(=O)[C@H]2CCCN(CC(=O)O)C2=O)CCO1 1603290822 WSPXYVNOUNSCAE-HZMBPMFUSA-N 309.322 -0.549 30 20 DBED CC1(C)NC(=O)N(CC(=O)N2CCC(C#N)(C(=O)O)CC2)C1=O 1604554594 MDSDTEDOCQFEHI-UHFFFAOYSA-N 322.321 -0.466 30 20 DBED C[C@@H]1CN(C(=O)C(=O)N2CCO[C@](C)(C#N)C2)C[C@H]1C(=O)O 1607428991 VWHVJTKWOMANQS-GPCCPHFNSA-N 309.322 -0.693 30 20 DBED Cn1c(=O)[nH]c(N(CCC(=O)O)C[C@H]2CCCO2)c(C#N)c1=O 1608076123 QQBQLUPBXZWGEL-SECBINFHSA-N 322.321 -0.595 30 20 DBED CCS(=O)(=O)N1CCC(C(=O)N2CCOC[C@@H]2C#N)CC1 1645576224 MQUOXHZECADYKO-LBPRGKRZSA-N 315.395 -0.201 30 20 DBED C#CCNC(=O)CNC[C@@H]1CCCCN1C(=O)[C@H]1CCCO1 1661900337 KEKUCNILKFWPAT-UONOGXRCSA-N 307.394 -0.115 30 20 DBED COCC#CCN1CCN(CCNC(=O)Cc2cc[nH]n2)CC1 1752362185 DMENKEJSSUMGEM-UHFFFAOYSA-N 319.409 -0.664 30 20 DBED Cc1conc1C(=O)NC[C@H](NCC(=O)NCC#N)C1CC1 1752490806 LRHMFKXZWIIAOW-NSHDSACASA-N 305.338 -0.279 30 20 DBED C=CCNC(=O)CN[C@H]1C[C@H](NC(=O)c2cc(C(N)=O)c[nH]2)C1 1752674049 TVLVLFPCDHHOLE-XYPYZODXSA-N 319.365 -0.734 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@H]1C[C@@H](NC(=O)[C@H]2CCNC(=O)C2)C1 1752747872 FASZNOJCDNRLSB-XQHKEYJVSA-N 322.409 -0.560 30 20 DBED COCC(=O)NC[C@@H](C)NCC(=O)NCC#Cc1ccccc1 1752856157 NXVWBNJVXMPXHP-CQSZACIVSA-N 317.389 -0.105 30 20 DBED Cc1c(CC(=O)NC[C@H](C)NCC(=O)NCC#N)cnn1C 1752880530 UXNMOKWPDIPKAZ-JTQLQIEISA-N 306.370 -0.995 30 20 DBED C#CCNC(=O)CN[C@H]1CCC[C@H](NC(=O)COCC=C)C1 1752965529 QQCJDAZIHXCXGW-KBPBESRZSA-N 307.394 -0.045 30 20 DBED C=CCNC(=O)[C@H](C)N(C)CCNC(=O)c1cnn(C)c1OC 1753072239 OPCGWSNUXQGPJU-NSHDSACASA-N 323.397 -0.219 30 20 DBED C=CCNC(=O)[C@H](C)N1CC(CNC(=O)c2cnccn2)C1 1753396020 BNLAHRNCHSTVLR-NSHDSACASA-N 303.366 -0.171 30 20 DBED C#CCCN1CC(CNC(=O)CNC(=O)c2ccncc2)C1 1753403517 YJBXTJDPFIXVBB-UHFFFAOYSA-N 300.362 -0.117 30 20 DBED C#CCNC(=O)CNC[C@](C)(NC(=O)[C@@H]1CCCO1)C1CC1 1753513688 UHPCLZZWFSQGSC-BBRMVZONSA-N 307.394 -0.211 30 20 DBED C=CCn1cc(C(=O)NCCC2CCN(CC(N)=O)CC2)nn1 1753598916 XABLCKBEVLYEMU-UHFFFAOYSA-N 320.397 -0.219 30 20 DBED C=CCn1cc(C(=O)N[C@H](C)CN(C)CC(=O)N(C)CC)nn1 1754326713 PQODCBHOSLXJMA-GFCCVEGCSA-N 322.413 -0.008 30 20 DBED C[C@H](NCC(=O)NCC#N)[C@H]1CCN(C(=O)Cc2cnc[nH]2)C1 1754799420 MQRAKWQFMGEAPM-RYUDHWBXSA-N 318.381 -0.581 30 20 DBED C[C@H]1CN(C(=O)CSCC#N)C[C@@H]1CNCc1nnnn1C 1754814181 VZZWXXFKYLJHRA-QWRGUYRKSA-N 323.426 -0.349 30 20 DBED C=C1CC(C)(C(=O)NC[C@H]2COCCN2Cc2nnnn2C)C1 1754972233 XKVWYYYLSXLEJF-LBPRGKRZSA-N 320.397 -0.117 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@H]1CN(C(=O)CCCF)CCO1 1755010293 BOPURPBJZXLGGH-OLZOCXBDSA-N 313.373 -0.309 30 20 DBED C=CCNC(=O)NC(=O)CN1CC2(C1)CN(C(=O)CC)CCO2 1755047028 KZUFOSKOLQERDK-UHFFFAOYSA-N 324.381 -0.679 30 20 DBED CC#CCN1CC2(CC[C@H](CNC(=O)[C@H](C)NC(C)=O)O2)C1 1755052639 FTZCIHXENYOMTM-GXTWGEPZSA-N 307.394 -0.116 30 20 DBED C#Cc1cncc(C(=O)NC[C@@H](CO)NCc2nncn2C)c1 1755638602 YMFFSTIMFNWELH-ZDUSSCGKSA-N 314.349 -0.928 30 20 DBED C=CCNC(=O)NC(=O)CN[C@H]1C[C@@H](C)N(C(=O)COC)C1 1755668586 DRMBIKMHMFUDSN-MNOVXSKESA-N 312.370 -0.776 30 20 DBED C=CCOCCNC[C@H]1CC[C@H](NC(=O)c2nnn(C)n2)C1 1755744417 VVVQMIKSPZXQIV-RYUDHWBXSA-N 308.386 -0.099 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)[C@@H](C)CNC(=O)CN(C)C(C)=O 1756006298 PQVOKPUXNJXCKH-RYUDHWBXSA-N 311.382 -0.534 30 20 DBED CN(C[C@@H](O)CNC(=O)CSCC#N)C(=O)c1cc[nH]n1 1756654798 YVPZHWFSVCQKGX-VIFPVBQESA-N 311.367 -0.784 30 20 DBED C=CCOCC(=O)N(C)C1CC(NC(=O)C2(C(=O)NC)CC2)C1 1756737250 ZMKLDZXXADHZOI-UHFFFAOYSA-N 323.393 -0.179 30 20 DBED C=CCCC(=O)N[C@@H]1CN(C(=O)Cn2cc(C)cn2)C[C@@H]1O 1757161176 RYTBRQCHXWLPOK-OLZOCXBDSA-N 306.366 -0.154 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H]1CN(C)C(=O)c1cocn1 1757279071 SZOCUVMRTXNWKO-NSHDSACASA-N 318.333 -0.513 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)Cc1ccn(C)n1)CCO2 1783049776 RGXWFFHVLAINKL-INIZCTEOSA-N 316.361 -0.574 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1nccnc1C)CCO2 1783055068 SRYUYWNDYGVCJE-MRXNPFEDSA-N 314.345 -0.138 30 20 DBED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN 1795524752 AXDRLUFBGUZDPF-FMSGJZPZSA-N 311.382 -0.874 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)[C@@H](C)CC)C2 1800450360 BLVUOKXHIKBKKJ-QIRZIZBZSA-N 308.378 -0.384 30 20 DBED CC(=O)NCC(=O)N1CC2(CCCN2C(=O)C(C)(C)C#N)C1 1841138967 KKYFJGHBMWNKIP-UHFFFAOYSA-N 306.366 -0.124 30 20 DBED C[C@H](S)C(=O)N1CC2(CCCN2C(=O)[C@H](C)n2cnnn2)C1 1846648478 DVZQWHZZENXPGA-UWVGGRQHSA-N 324.410 -0.244 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)N2CCS(=O)CC2)cc1 66637211 XCMCZTPLIQXVBK-UHFFFAOYSA-N 305.359 -0.121 30 20 DBED C#CCNC(=O)COC(=O)[C@H](C)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 136790790 PTQOEUVXAYDNMX-SRVKXCTJSA-N 320.345 -0.157 30 20 DBED CC(C)[C@H](C#N)N1CCN(C(=O)CN2C[C@H](O)C[C@@H]2CO)CC1 185190111 SIUZCACCXNBFQB-KFWWJZLASA-N 324.425 -0.894 30 20 DBED C=C(Br)COC(=O)Cn1ccc(=O)n(C)c1=O 194037430 QZTAUBPDGXEULJ-UHFFFAOYSA-N 303.112 -0.001 30 20 DBED N#C[C@@H]1CN(C[C@H](O)CN2C(=O)c3ccccc3C2=O)CCO1 264402059 PFMHUXHNSZJJIY-NWDGAFQWSA-N 315.329 -0.132 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)c2cnn(CC)c2)CC1 265147013 XNFSJIAZOKZMHD-UHFFFAOYSA-N 317.393 -0.200 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N[C@H]1CC(=O)N(C(C)C)C1 272956138 KUTBBIQAPLBAKN-NSHDSACASA-N 317.411 -0.104 30 20 DBED C=CCCOCCNC(=O)C(=O)N1CCOC[C@H]1C[C@@H](C)O 283762342 RSCDPFGGTVZYHT-CHWSQXEVSA-N 314.382 -0.306 30 20 DBED CCN1CCC[C@@H]1CN/C(N)=N/CCn1cc(C(=O)OC)nn1 284040606 ORZDFCFUFSHXBK-LLVKDONJSA-N 323.401 -0.547 30 20 DBED C[C@@H](O)[C@H](NS(=O)(=O)c1ccc(C#N)c(F)c1)C(=O)O 291930918 WMAWNYNVFZBFBM-LDWIPMOCSA-N 302.283 -0.190 30 20 DBED CCC/N=C(/O)NC(=O)CN1CCC[C@H](S(C)(=O)=O)C1 330916452 ZZDFCOIKUZQADR-JTQLQIEISA-N 305.400 -0.064 30 20 DBED CNS(=O)(=O)CC/N=C(/O)N[C@H](C)c1cn(C)nc1C 331259257 HUBRWIFEIDPTMN-MRVPVSSYSA-N 303.388 -0.158 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCO[C@@H](C(=O)NC)C1 336937294 GTMSLROUYFURQB-WDEREUQCSA-N 318.399 -0.840 30 20 DBED CN1C(=O)C(=O)N(CC(=O)NCCc2cccc(C#N)c2)C1=O 341942631 BXRMAWXAOSIABM-UHFFFAOYSA-N 314.301 -0.362 30 20 DBED C[C@H]1C(=O)N(C)CCN1CC#CCN1CCN(C)C(=O)[C@@H]1C 342136210 UHLCVVSFXPOLPI-KBPBESRZSA-N 306.410 -0.685 30 20 DBED C=CCOc1cccnc1C(=O)N1CCN(C(=O)CO)CC1 342449905 UYOFDWSIQZPBTK-UHFFFAOYSA-N 305.334 -0.077 30 20 DBED CCOC1CN(C(=O)C(=O)Nc2nn(C(C)C)cc2C#N)C1 344253880 YLMKVFWLDNIWMM-UHFFFAOYSA-N 305.338 0.521 30 20 DBED C=CCN1CC[C@@H](N(C)S(=O)(=O)C[C@@H](C)C(=O)OC)C1=O 350223979 NBYBGXGHNQYNHH-GHMZBOCLSA-N 318.395 -0.156 30 20 DBED CC#CCCNS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 354076670 UTGHAUNCZMDLKF-UHFFFAOYSA-N 307.331 -0.092 30 20 DBED COC(=O)C[C@@H](NC(=O)Cc1noc(C)c1C#N)C(=O)OC 354347974 IXOLNSDBSNWUOH-SNVBAGLBSA-N 309.278 -0.382 30 20 DBED C=CC[C@H](CO)CNC(=O)C(=O)Nc1cncnc1N(C)C 355328701 XGPJGHSPCMQGKK-JTQLQIEISA-N 307.354 -0.218 30 20 DBED C=CCNc1nnc(S(=O)(=O)Cc2cnnn2C)s1 357116882 BXVIJDZWDMPIIU-UHFFFAOYSA-N 300.369 0.238 30 20 DBED CN(CCC#N)S(=O)(=O)N1CC[C@@H](N2CCCC2=O)C1 360132122 ODQOHIIPZPHJDA-LLVKDONJSA-N 300.384 -0.227 30 20 DBED C=C[C@H](C)NC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 362610681 LGLALALLMPAEIV-ZETCQYMHSA-N 300.340 -0.917 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CO[C@H](C)C2)CC1 490713786 MFOWRSDUTLIVHL-KGLIPLIRSA-N 307.394 -0.305 30 20 DBED C#CCN(CC#N)S(=O)(=O)c1cccc(-n2cnnn2)c1 490866584 RASYVRRFPXINAO-UHFFFAOYSA-N 302.319 -0.190 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@@H](C)[C@@H](C)COC)CC1 491784468 QSQZFSYAOLZHBH-KBPBESRZSA-N 309.410 -0.201 30 20 DBED Cc1nn(C)c(N2CCN(Cc3nc(=O)n(C)[nH]3)CC2)c1C#N 530465845 UMUCLFHIMNGDDZ-UHFFFAOYSA-N 316.369 -0.656 30 20 DBED COC[C@@](C)(O)CNC(=O)CNC(=O)c1ccc(C#N)cc1 531119353 FDTDYXHTTZRQCJ-HNNXBMFYSA-N 305.334 -0.198 30 20 DBED N#Cc1cc(F)ccc1S(=O)(=O)N[C@@H](CC(=O)O)C(=O)O 548532390 UFMQBBLHTZDYLC-QMMMGPOBSA-N 316.266 -0.096 30 20 DBED N#Cc1cncnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 567894432 XMGFTBKHGFKRLT-UHFFFAOYSA-N 300.322 -0.725 30 20 DBED Cn1c(=O)c2ccn(CC(=O)N3CC(C)(C#N)C3)c2n(C)c1=O 577336094 MGTXCUOSTMSHIA-UHFFFAOYSA-N 315.333 -0.589 30 20 DBED COC(=O)C[C@H](O)CNC(=O)C(=O)Nc1cccc(CC#N)c1 600060989 UWFYBFVIYHIALI-LBPRGKRZSA-N 319.317 -0.269 30 20 DBED N#CCCN1CCN(C(=O)C(=O)N2CC[C@@H](CCCO)C2)CC1 601497014 MHGJPDXYAFMVAJ-CQSZACIVSA-N 322.409 -0.335 30 20 DBED COCCN(CCC#N)C(=O)c1ccc(S(N)(=O)=O)nc1 611208562 CXOJYJSPFIJVGY-UHFFFAOYSA-N 312.351 -0.269 30 20 DBED C=C[C@@H](O)C(=O)NCCNS(=O)(=O)c1ccc(F)cc1F 614451420 UIBKPAZKUBZUNC-SNVBAGLBSA-N 320.317 -0.094 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CS(=O)(=O)C[C@H]2OC)nn1 617868758 KQANAMTXGWOPCD-VHSXEESVSA-N 300.340 -0.994 30 20 DBED C=CCCOCC(=O)N1CCN(CCS(N)(=O)=O)CC1 673942136 OIRZQDCIWDVKAO-UHFFFAOYSA-N 305.400 -0.988 30 20 DBED C=CC[C@@H](NS(=O)(=O)c1ccc(-n2cnnn2)cc1)C(=O)O 681558068 KXQMXGKPHQELCW-LLVKDONJSA-N 323.334 -0.030 30 20 DBED N#CCNC(=O)COC(=O)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O 731240186 FMEOSBADUPZVRE-RQJHMYQMSA-N 307.228 -0.374 30 20 DBED N#C[C@H]1COCCN1C(=O)c1ccc(F)c(S(N)(=O)=O)c1 756954881 ZRBRUFHCGIEQBT-VIFPVBQESA-N 313.310 -0.162 30 20 DBED C#CCNS(=O)(=O)N1CCN(Cc2nccs2)CC1 761032843 OJASFGIRQYQOPC-UHFFFAOYSA-N 300.409 -0.272 30 20 DBED C=CCN1CC(=O)N(CCNS(=O)(=O)c2cccnc2)C1=O 762220182 GTPISFVXCDLRIA-UHFFFAOYSA-N 324.362 -0.190 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)C(C)(C)N1CCOCC1 805557669 SLBIWZMNYOQZRZ-UHFFFAOYSA-N 313.354 -0.348 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@@H](C)c1cnn(C)c1)[C@H]1CCCO1 805731601 GKMGVSCGIURXTM-WCFLWFBJSA-N 304.350 -0.106 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)OC 813712158 UXCYSMLADRGVNJ-URLYPYJESA-N 316.379 -0.352 30 20 DBED CN(C)C(=O)N1CCC(C(=O)N[C@H]2CCCN(O)C2=O)CC1 816758976 BNGFIRGPYHDTAL-NSHDSACASA-N 312.370 -0.124 30 20 DBED C#Cc1ccc(C(=O)NCCCn2c(=O)ccn(C)c2=O)nc1 819944277 YKIJBBIINKTOTM-UHFFFAOYSA-N 312.329 -0.257 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)C2=CCCCO2)CC1 831565131 NDDSBLDMUFGNPM-UHFFFAOYSA-N 313.379 -0.708 30 20 DBED C#CC[C@H](CO)NCCS(=O)(=O)CC(=O)OC(C)(C)C 843079405 ZVLWJJWCUNRUMZ-LLVKDONJSA-N 305.396 -0.283 30 20 DBED CCN(C[C@@H](C)C#N)C(=O)COC(=O)[C@@H]1CCS(=O)(=O)N1 845370562 SSKCAZHEVNSCCE-UWVGGRQHSA-N 317.367 -0.771 30 20 DBED CS(=O)(=O)N1CCC[C@H](C(=O)NS(=O)(=O)CCC#N)C1 860752925 PUZWDDNSSSISQY-VIFPVBQESA-N 323.396 -0.982 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CCCN(CCN2CCOCC2)C1 882635683 JHOPJMAUCALGMG-JKSUJKDBSA-N 323.437 -0.063 30 20 DBED C#CC1(O)CN(C(=O)c2ccc(CN3C(=O)CNC3=O)cc2)C1 890519386 LNZZIBDINUSDJP-UHFFFAOYSA-N 313.313 -0.442 30 20 DBED C#CCNC(=O)Cn1cc(C(=O)OCC)c(=O)n2nccc12 902556009 PRTAHUDKJKJSLI-UHFFFAOYSA-N 302.290 -0.578 30 20 DBED N#CCCN1CCN(C(=O)C(=O)NC[C@H]2CCCCCN2)CC1 911558373 WWXDJODFQYISAX-CQSZACIVSA-N 321.425 -0.307 30 20 DBED C#CCN1CCC[C@@H](NC(=O)CS(=O)(=O)NC(C)(C)C)C1 923584912 YKWOTJSVVIFTJN-GFCCVEGCSA-N 315.439 -0.082 30 20 DBED O=C(N[C@@H]1CCN(C(=O)C#CC2CC2)C1)c1nnc(O)nc1O 941789166 RTEQIEJDSGCJLF-SECBINFHSA-N 317.305 -0.973 30 20 DBED CN1C[C@H](C(=O)NC[C@H]2CCCN2C(=O)C#CC2CC2)NC1=O 944009927 RPPJGQJMKFYTIZ-CHWSQXEVSA-N 318.377 -0.469 30 20 DBED C#Cc1cncc(C(=O)N2C[C@H]3C[C@H]2[C@@H]3NC(=O)c2cnn[nH]2)c1 947494088 YKYDARBVXNGMPC-KWCYVHTRSA-N 322.328 -0.176 30 20 DBED C#Cc1ccc(C(=O)N2C[C@H]3C[C@H]2[C@@H]3NC(=O)c2nc[nH]n2)nc1 947756011 OTOKYIJNKHRNSF-KGYLQXTDSA-N 322.328 -0.176 30 20 DBED N#CCN1CCOC2(CCN(C(=O)[C@@H]3COC(=O)N3)CC2)C1 949355373 NQFNFGFVBAWMKH-NSHDSACASA-N 308.338 -0.688 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@](C)(NC(=O)c2nnc(O)nc2O)C1 957235986 QEFQQNAUHQNYMB-CPFSXVBKSA-N 320.309 -0.837 30 20 DBED CC#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cc(=O)c(OC)co2)C1 958262072 GLYCPVJOFKRZEV-WCQYABFASA-N 320.345 -0.306 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2c(O)nnc(C)c2C)C1 958313911 XFNKTIRSAFAFTG-NWDGAFQWSA-N 304.350 -0.545 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@H](NC(=O)c2cn(C)cn2)C1 962275057 AFGDEMNKHMKULF-PWSUYJOCSA-N 306.366 -0.066 30 20 DBED CC[C@H](F)C(=O)N1C[C@H](O)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 962392658 WDMONLONKQMGMT-TUAOUCFPSA-N 308.313 -0.064 30 20 DBED C[C@H](C#N)C(=O)N1CCOC2(CN(C(=O)[C@@H]3CCCN3C)C2)C1 965475930 YWTGPNOXMFMOAH-OLZOCXBDSA-N 320.393 -0.320 30 20 DBED C[C@@H]1CCN(CC#N)C[C@H]1NC(=O)CN1CCC(=O)NC1=O 968514771 XUYJGBMSISEVLN-GHMZBOCLSA-N 307.354 -0.722 30 20 DBED C=CCN1CCO[C@]2(CCN(C(=O)[C@H]3CN(C)C(=O)N3)C2)C1 972506023 XNEFQEPKZHMSLD-IUODEOHRSA-N 308.382 -0.501 30 20 DBED C#CCCN1CCO[C@]2(CCN(C(=O)C[C@H]3CCC(=O)N3)C2)C1 972594052 PQZORNIAYXRHBL-RHSMWYFYSA-N 319.405 -0.018 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)c3cnn(C)c3OC)C2)C1 972654540 RHRHTSXTJRGNBV-MRXNPFEDSA-N 318.377 -0.021 30 20 DBED N#Cc1cc(C(=O)NC[C@@H]2CCN(C(=O)CC(N)=O)C2)c[nH]1 982559076 IUUWTALOHNNONQ-VIFPVBQESA-N 303.322 -0.660 30 20 DBED O=C1NC[C@@H](C(=O)NC[C@@H]2CCN(C(=O)C#CC3CC3)C2)N1 982746866 XFJBASKHLJELPC-RYUDHWBXSA-N 304.350 -0.954 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)C(N)=O 984029935 IQFJIYWYUCZACK-XQHKEYJVSA-N 323.393 -0.194 30 20 DBED C#Cc1cncc(C(=O)N(C)[C@@H]2CCCN(C(=O)C(N)=O)C2)c1 984579976 WPKBKYWRTRRFJO-CYBMUJFWSA-N 314.345 -0.389 30 20 DBED CN(CC#N)C1CCN(C(=O)c2nccnc2C(N)=O)CC1 985783502 CBHNPRFBKZZSEH-UHFFFAOYSA-N 302.338 -0.365 30 20 DBED C=CCN[C@@H]1C[C@@H](C)N(C(=O)Cn2ncn3nccc3c2=O)C1 989511944 VOBDNBAJWMAZKY-VXGBXAGGSA-N 316.365 -0.344 30 20 DBED C=CCN[C@H]1C[C@H](C)N(C(=O)c2cn(C)c(=O)n(C)c2=O)C1 989511999 WJMJCTLUGOCHCM-QWRGUYRKSA-N 306.366 -0.537 30 20 DBED Cn1cc(CC(=O)NC2CN(C(=O)c3c[nH]c(C#N)c3)C2)cn1 990435095 CEJACOGJGYBCRE-UHFFFAOYSA-N 312.333 -0.197 30 20 DBED COC(=O)[C@@H]1C[C@H]1C(=O)N1CC(NC(=O)c2cc(C#N)c[nH]2)C1 990695524 KTLXXFCKTOYFSV-GHMZBOCLSA-N 316.317 -0.364 30 20 DBED C#CCN[C@@H]1CCC[C@H]2CN(C(=O)CN3CCOCC3=O)C[C@H]21 992718146 XQEUYJVTXHBDFC-RRFJBIMHSA-N 319.405 -0.305 30 20 DBED C#CCN1CCC[C@@H](NC(=O)c2cnc(O)n(C)c2=O)[C@@H]1C 993686695 XJGODYOVSXWTOD-CMPLNLGQSA-N 304.350 -0.298 30 20 DBED C[C@@H](C(=O)NC1CN(C(=O)C#CC2CC2)C1)N1C(=O)CCC1=O 993800148 RYIKMMWFSWHPLU-JTQLQIEISA-N 317.345 -0.736 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H](CC)N(C)C)C1 994750013 FVPFEUNHGQYZCW-GJZGRUSLSA-N 320.437 -0.249 30 20 DBED Cc1nc(O)nc(O)c1CC(=O)NC1CN(C(=O)[C@@H](C)C#N)C1 998334676 UMYHBVRRNNQPFE-ZETCQYMHSA-N 319.321 -0.775 30 20 DBED O=C1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C#CC2CC2)N1 998947488 ACZVPQAYPMYSNU-RFGFWPKPSA-N 315.373 -0.074 30 20 DBED C=C(C)CN[C@@H]1CCCN(C(=O)Cn2ccc(=O)n(C)c2=O)C1 999308080 PDTPPTZPLLRPNV-CYBMUJFWSA-N 320.393 -0.296 30 20 DBED N#CCN1CCC(C2(NC(=O)c3nnc(O)nc3O)CC2)CC1 1000203686 TWQJWIYWVACWMP-UHFFFAOYSA-N 318.337 -0.219 30 20 DBED O=C(Cn1cncn1)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C#CC1CC1 1000619868 ZUSOQVDEYPUENT-RDBSUJKOSA-N 313.361 -0.060 30 20 DBED N#Cc1c[nH]c(C(=O)NC2CCN([C@H]3CCNC3=O)CC2)c1 1002551036 JZLSFGBMSWVFMW-ZDUSSCGKSA-N 301.350 -0.031 30 20 DBED COCCn1nc(C(=O)NC2CCN(CC#N)CC2)ccc1=O 1003269634 BDKGOYIJNJZXIX-UHFFFAOYSA-N 319.365 -0.393 30 20 DBED Cc1ccc(=O)n(CC(=O)N(C)C2CCN(CC#N)CC2)n1 1006322783 KNQIAWWTURTCHM-UHFFFAOYSA-N 303.366 -0.002 30 20 DBED C=C(C)CN1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@@H]1NC(=O)NC1=O 1017626059 CJHIFBKEPHKWFY-TUAOUCFPSA-N 306.366 -0.164 30 20 DBED C=C(Cl)CN[C@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 1018983688 GCVFGQDHDZMCJZ-IUCAKERBSA-N 300.746 -0.473 30 20 DBED C=CCN1CC[C@@H](N[C@H]2CCN(C(=O)Cc3ncc[nH]3)C2)C1=O 1019566170 VMDHVWQQBGIGFD-QWHCGFSZSA-N 317.393 -0.070 30 20 DBED N#Cc1ccccc1CN[C@H]1C[C@H](NC(=O)Cn2cnnn2)C1 1019975399 AOLYFTKUWXKHKD-HDJSIYSDSA-N 311.349 -0.018 30 20 DBED C#CCOc1ncccc1C(=O)NC1CN([C@@H](C)C(N)=O)C1 1031276216 QLPRBZOQMKPSHH-JTQLQIEISA-N 302.334 -0.619 30 20 DBED N#Cc1c[nH]c(C(=O)NCC2CN(Cc3nc(O)n[nH]3)C2)c1 1031603073 GEWWGZGAILLPGE-UHFFFAOYSA-N 301.310 -0.428 30 20 DBED CN(C(=O)Cn1nnc(-c2ccco2)n1)[C@H]1CCN(CC#N)C1 1033218891 VIAYHNLPMGDHMQ-NSHDSACASA-N 315.337 -0.011 30 20 DBED C#CCN1CC[C@@H](N(C)C(=O)C2CC3(C2)NC(=O)NC3=O)C1 1033500554 BYSZMGQTEOGZRA-LOIXOFCESA-N 304.350 -0.860 30 20 DBED CC#CCN1CCCC[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)C1 1034486469 KQSGZJWARAYYBY-CYBMUJFWSA-N 320.393 -0.126 30 20 DBED N#CCN1CCO[C@@H](CNC(=O)c2cccn3nnnc23)C1 1035387055 JUMUVMGBERPOSB-JTQLQIEISA-N 301.310 -0.922 30 20 DBED C=CCCN1CCO[C@@H](CNC(=O)c2cn(C)c(=O)n2C)C1 1035616004 CZYFCVXURDCFEH-LBPRGKRZSA-N 308.382 -0.270 30 20 DBED Cn1[nH]c(CN2CC[C@@H]2CNC(=O)c2cc(C#N)c[nH]2)nc1=O 1038152692 MTJRGSOYCLXLMO-SNVBAGLBSA-N 315.337 -0.688 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2CCN2CC(=O)N(C)C)nc1 1038929932 FVOWQMCZPDEONP-CYBMUJFWSA-N 300.362 -0.045 30 20 DBED C[C@H]1[C@@H](N=c2cc[nH]c(C#N)n2)CCN1C(=O)[C@H]1CCC(=O)N1 1040072900 XBVYIEHKOSBWPL-GARJFASQSA-N 314.349 -0.550 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@@](O)(CNC(=O)c2cnon2)C1 1040668322 JTOIFMSTQHQONT-CQSZACIVSA-N 308.338 -0.025 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)c2nccs2)C1 1040682742 SVLMIESVVHZXIZ-RNCFNFMXSA-N 308.363 -0.004 30 20 DBED C[C@@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)Cc2cncnc2)C1 1040762778 LLXZIBOEOWHFMI-XHDPSFHLSA-N 317.349 -0.742 30 20 DBED C[C@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)CCc2ncc[nH]2)C1 1040763768 RHQXZSVLTVRAKT-IAQYHMDHSA-N 319.365 -0.418 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(O)(CNC(=O)c2cncnc2)C1 1042710329 SSBPFDVYKOEHDA-CQSZACIVSA-N 320.349 -0.893 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)[C@@H]2CCCN2C)C1 1042936128 ANNNQCIWJGRMNV-ZDUSSCGKSA-N 307.394 -0.571 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 1042941709 QWCMBLGJJRJSDL-MCIONIFRSA-N 320.389 -0.097 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCCOC2)C1 1043032832 JKKMHPYNJZXLRK-CYBMUJFWSA-N 324.377 -0.858 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)C2(COC)CC2)C1 1043036573 OWGRRJGTFGLJRS-UHFFFAOYSA-N 324.377 -0.858 30 20 DBED C[C@@H]1CN(C(=O)[C@@H]2CCNC2=O)C[C@H]1Nc1cnc(C#N)cn1 1043431508 IITAKMSIEWGSPK-YUSALJHKSA-N 314.349 -0.257 30 20 DBED C=CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)COC(C)C)C1 1043571643 RCTCYTDFTWPXSN-GFCCVEGCSA-N 314.382 -0.308 30 20 DBED C=CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2conc2C)C1 1043576202 OVWJBMSIAPCIRB-NSHDSACASA-N 323.349 -0.123 30 20 DBED CO[C@@H](C(=O)NCC1(O)CN(C(=O)[C@@H](C)C#N)C1)C1CCC1 1044089392 QWIYHBIBUVVXFA-CMPLNLGQSA-N 309.366 -0.349 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)CNC(=O)CC)C1 1044483837 BGGBDDNGXCKLNS-UHFFFAOYSA-N 311.382 -0.586 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)[C@H]2CCN(C(C)=O)C2)C1 1044687621 GQRUFJNGQXJRCE-ZDUSSCGKSA-N 323.393 -0.490 30 20 DBED C=C[C@@H](C)[C@H](C)C(=O)NCC1(O)CN(C(=O)CNC(C)=O)C1 1044976350 UMVJIINVXJTGBE-MNOVXSKESA-N 311.382 -0.730 30 20 DBED C=C[C@@H](C)[C@@H](C)C(=O)NCC1(O)CN(C(=O)C2(C(N)=O)CC2)C1 1044980606 ONNUEXGGADAMCD-GHMZBOCLSA-N 323.393 -0.600 30 20 DBED Cc1ncn(C)c1C(=O)N1CC(O)(CNC(=O)[C@H](C)C#N)C1 1045552164 QFSHCKGUVZLNOK-SECBINFHSA-N 305.338 -0.809 30 20 DBED C=CCn1cc(C(=O)N[C@]2(C)CCN([C@H](C)C(=O)NC)C2)nn1 1046681338 NNNMZNUHYBIIEL-IAQYHMDHSA-N 320.397 -0.207 30 20 DBED CN1CCOC[C@@H]1C(=O)NC[C@@H]1CN(CC#N)CCC1(F)F 1046931000 OFLXSIIBFSFGMA-VXGBXAGGSA-N 316.352 -0.086 30 20 DBED O=C(NCC1(O)CN(C(=O)C#CC2CC2)C1)[C@@H]1C[C@H]2CC[C@@H]1O2 1047040993 PNSSXGAABVPRBM-MCIONIFRSA-N 318.373 -0.343 30 20 DBED CN(C(=O)c1nnn(C(C)(C)C)n1)[C@H]1CN(CC#N)C[C@@H]1O 1047388589 BSAHFEMHUKZDCI-UWVGGRQHSA-N 307.358 -0.931 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)C(=O)N2CCC[C@H](C)C2)C1 1047554883 OKFBJPANTINOBU-IHRRRGAJSA-N 307.394 -0.618 30 20 DBED C=CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CNC(N)=O)C1 1048201416 JSWCFXQAEKXNKX-QWRGUYRKSA-N 312.370 -0.959 30 20 DBED CC#CCN1C[C@H]2CN(C(=O)Cn3nc(C)n(C)c3=O)C[C@H]2C1 1049197193 GBSXGTYMMKALPR-OKILXGFUSA-N 317.393 -0.696 30 20 DBED N#CCN1CCOC[C@H]1CNC(=O)[C@@H]1CCCCN1C(N)=O 1051201779 UTKAUICOPGKXMR-NEPJUHHUSA-N 309.370 -0.740 30 20 DBED Cc1nc(O)[nH]c1C(=O)N1CC[C@@H](N2CCN(CC#N)CC2)C1 1052041657 OLHIEZAHEWHXQR-GFCCVEGCSA-N 318.381 -0.221 30 20 DBED CNC(=O)CC(=O)N1C[C@H](CNC(=O)C#CC(C)C)[C@@H](C)C1 1052434102 CIIPRPQQDLBUDX-STQMWFEESA-N 307.394 -0.007 30 20 DBED C[C@H](C#N)C(=O)N1CCOC2(CN(Cc3ncnn3C)C2)C1 1053190900 HSSGBQQFKYTXRM-LLVKDONJSA-N 304.354 -0.612 30 20 DBED C#CCN1CC2(C1)CN(C(=O)[C@@H]1CCNC(=O)CC1)CCO2 1053358248 KNAFEOSMYWDDAJ-ZDUSSCGKSA-N 305.378 -0.551 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCOC2(CN(C[C@H](C)O)C2)C1 1053437381 SWNCLQALQJQIDP-MJBXVCDLSA-N 310.394 -0.129 30 20 DBED Cn1cc(C(=O)NC[C@@H]2CCC3(CN(CC#N)C3)O2)ccc1=O 1053622096 NMRIBWYHXLQBHL-ZDUSSCGKSA-N 316.361 -0.128 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)Cc3cc(C)nn3C)CO2)C1 1053869244 HTFKRUZRNNRTDF-ZDUSSCGKSA-N 302.378 -0.136 30 20 DBED CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)c1c[nH]c(C#N)c1 1057058118 MDFVJJIRCDICHY-NSHDSACASA-N 322.365 -0.138 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)c1cnn(CC)c1 1057193293 DEKYQRZBSPPPDF-UHFFFAOYSA-N 324.381 -0.344 30 20 DBED Cc1cc(C(=O)N(CCO)CCNC(=O)C#CC(C)C)ncn1 1057360726 MALNDPCAQPHVAC-UHFFFAOYSA-N 318.377 -0.005 30 20 DBED C=CCO[C@H](C)C(=O)N(CCO)CCNC(=O)C[C@H](C)OC 1057921405 GWGGQVXQBITOLW-QWHCGFSZSA-N 316.398 -0.060 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)COCC(F)F 1058143730 IMZNBBDFQDCOHK-SECBINFHSA-N 307.297 -0.635 30 20 DBED Cc1n[nH]cc1C(=O)N(CCO)CCNC(=O)C#CC1CC1 1058268085 YJAAGRNTAUMRSC-UHFFFAOYSA-N 304.350 -0.318 30 20 DBED N#Cc1nccc(N2CC[C@@H](NC(=O)c3ccc(O)nn3)C2)n1 1058288927 QHKGFRMEYDAXKH-SECBINFHSA-N 311.305 -0.147 30 20 DBED C=C[C@@H](C)[C@@H](C)C(=O)N(CCO)CCNC(=O)c1ncn(C)n1 1058435283 HPLVZOOAOBGIHP-VXGBXAGGSA-N 323.397 -0.176 30 20 DBED CC#CCCCC(=O)NCCN(CCO)C(=O)c1cnon1 1058513979 XTMSICUGYZBLMF-UHFFFAOYSA-N 308.338 -0.186 30 20 DBED Cn1oc(C(=O)N[C@H]2C[C@H](N=c3cc[nH]c(C#N)n3)C2)cc1=O 1059192351 CVICUVRYDCNHNR-KYZUINATSA-N 314.305 -0.565 30 20 DBED N#Cc1cnc(N[C@H]2C[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)cn1 1059413651 RHIVEQYSUXBOCR-OYBPUVFXSA-N 300.322 -0.471 30 20 DBED C=CCOCC(=O)N1CCOC[C@H]1CNC(=O)[C@H]1CCOC1 1061387060 XXNRZSQVNQBDPU-QWHCGFSZSA-N 312.366 -0.431 30 20 DBED C=CCOCC(=O)NC[C@@H]1COCCN1C(=O)Cc1cnoc1 1061419022 FSOFGVHWRJGRNP-CYBMUJFWSA-N 323.349 -0.237 30 20 DBED C=CCO[C@@H](C)C(=O)NC[C@H]1COCCN1C(=O)COC 1061667506 HIERZZPMRWIKEV-RYUDHWBXSA-N 300.355 -0.433 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)Cc1cnc[nH]1 1061928879 GWSNEZZVQCPAJZ-JQWIXIFHSA-N 305.338 -0.545 30 20 DBED Cn1ncc(C(=O)N2C[C@@H]3CC[C@H](C2)N3c2ccc(C#N)nn2)n1 1061973082 OGFREOMGRKMZIT-TXEJJXNPSA-N 324.348 -0.030 30 20 DBED C[C@H](NC(N)=O)C(=O)N1CCCC[C@@H]1CNC(=O)[C@H](C)C#N 1062158777 SKBLHGIHUHDKCW-OUAUKWLOSA-N 309.370 -0.300 30 20 DBED N#Cc1nccnc1N1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC(=O)N1 1062514454 VFRHWASZLNPDIM-DCAQKATOSA-N 312.333 -0.584 30 20 DBED C=C(C)CCC(=O)N1CCO[C@@H](CNC(=O)C2(C(N)=O)CC2)C1 1065224503 QFHLEINUGQFMCJ-LBPRGKRZSA-N 323.393 -0.048 30 20 DBED C=CCCOCC(=O)N1CCO[C@@H](CNC(=O)[C@H](C)OC)C1 1065280921 TVHNBJAXEBEJIN-STQMWFEESA-N 314.382 -0.042 30 20 DBED C[C@]1(NC(=O)[C@H]2CNC(=O)N2)CCN(c2ccc(C#N)nc2)C1 1065326859 SHCPKQXUFBEVHA-DOMZBBRYSA-N 314.349 -0.280 30 20 DBED CC(C)C#CC(=O)N1CCC[C@H](NC(=O)c2nnn(C)n2)CC1 1066409475 QSEOBERKJYQEAX-LBPRGKRZSA-N 318.381 -0.020 30 20 DBED N#Cc1nccnc1NC[C@H]1CN(C(=O)c2nc[nH]n2)CCO1 1066638335 QXUUSZFOLXHMDY-VIFPVBQESA-N 314.309 -0.581 30 20 DBED C#CCO[C@H](C)C(=O)N(C)CCCN(C)C(=O)c1cnnn1C 1067310637 OPXKJZXKRZGWTD-GFCCVEGCSA-N 321.381 -0.226 30 20 DBED Cc1nn[nH]c1C(=O)NCC1[C@@H]2CN(c3cncc(C#N)n3)C[C@@H]12 1068192736 PQEZNULGLQXISS-RYUDHWBXSA-N 324.348 -0.113 30 20 DBED C=CCCC(=O)N1CC2(C[C@H](NC(=O)Cn3nccn3)CO2)C1 1068879871 KYHXHKZEOAMWJJ-LBPRGKRZSA-N 319.365 -0.270 30 20 DBED C[C@H]1[C@H](N=c2cc[nH]c(C#N)n2)CCN1C(=O)c1nnn(C)n1 1068929222 ZIJFDVOGRYGJCW-DTWKUNHWSA-N 313.325 -0.991 30 20 DBED N#CCN1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2COC(=O)N2)C1 1070407346 CWKIFWPBGQRMOA-MWLCHTKSSA-N 318.337 -0.553 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@@]23COC[C@@H]2C3)C[C@H]1c1cncn1C 1070649965 AITXFYRISVDCLV-CFAJVAMVSA-N 314.389 -0.026 30 20 DBED C[C@@H](C(=O)N1CCC(=O)NCCN(CC#N)CC1)n1cccn1 1070943277 IOQMYECJODVLAZ-ZDUSSCGKSA-N 318.381 -0.382 30 20 DBED N#Cc1c[nH]c(C(=O)N2CCC(=O)NCCN(CCO)CC2)c1 1070951580 RNTPFYGGSYHWMQ-UHFFFAOYSA-N 319.365 -0.857 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)c2cc(=O)n(C)o2)CC1 1070957520 ITSNFGBGGNHWOA-UHFFFAOYSA-N 322.365 -0.572 30 20 DBED CC#CCN1CC[C@]2(C1)CN(C(=O)C1(C(N)=O)CC1)C[C@@H](C)O2 1071205893 AHFTUTXMDHRFHZ-CJNGLKHVSA-N 319.405 -0.033 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC[C@H](NC(=O)C(N)=O)C(C)(C)C1 1073479238 JNUVPXFBHCHNJO-QWRGUYRKSA-N 311.382 -0.194 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)c2cccc(=O)n2C)C1 1073760162 SQPKKBXHYMXXAC-CYBMUJFWSA-N 303.362 -0.161 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)c1cc[nH]n1 1075701304 ZCVBHLOLDCKOSQ-JTQLQIEISA-N 305.338 -0.826 30 20 DBED C#CCCN1C[C@@H]2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)[C@@H]2C1 1075896122 JJRYPJZDYUKIJH-SDDRHHMPSA-N 304.350 -0.860 30 20 DBED C[C@@H](CCNC(=O)C#CC1CC1)NC(=O)C1CC(=O)NC(=O)C1 1076423564 OJXDCKVZROZPHV-JTQLQIEISA-N 319.361 -0.536 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)c2cnn3cc(C)cnc23)C1 1077763481 ZYIYBNPMRWQWSO-ZIAGYGMSSA-N 313.361 -0.164 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H](C)CCNC(=O)CCn1cnnn1 1078023469 ZIBUCZHSGHKJFF-FZMZJTMJSA-N 324.385 -0.599 30 20 DBED C[C@@H](CCNC(=O)[C@@H](C)C#N)NC(=O)C(C)(C)S(C)(=O)=O 1078138064 QCBLDVFINJWNJO-UWVGGRQHSA-N 317.411 -0.020 30 20 DBED Cc1nn(CC(=O)N[C@@H]2CN(CC#N)C[C@H]2O)c(C)c1Cl 1078190097 LXODJILFQQCSPB-GHMZBOCLSA-N 311.773 -0.162 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@@H]1CCCN(C(=O)CNC(N)=O)CC1 1079059216 NCMLGBKAYVZDGE-GHMZBOCLSA-N 309.370 -0.346 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(N(CC)C(=O)C2(C(N)=O)CC2)C1 1080397186 YDQZQWXMUOWAJI-OAHLLOKOSA-N 323.393 -0.362 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2cccnn2)C[C@H]1O 1081345218 ZXIZGJVDEUEVQV-WCQYABFASA-N 320.349 -0.772 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2cncnc2)C[C@H]1O 1081345792 AFPYTGWCQCYLTO-QWHCGFSZSA-N 320.349 -0.772 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)Cc2cnc[nH]2)C[C@@H]1O 1081347673 YVQYKJQBZUPPKJ-YPMHNXCESA-N 322.365 -0.910 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)c2cnn[nH]2)C[C@H]1O 1081439171 MPZFIMGWRTYHAK-ZYHUDNBSSA-N 305.338 -0.843 30 20 DBED C=CCCOCC(=O)N1C[C@H](CNC(=O)c2cnco2)[C@@H](O)C1 1081623418 KZCCOOISDRBWQZ-RYUDHWBXSA-N 323.349 -0.184 30 20 DBED C=C(C)CN1C[C@@H](NC(=O)CN2CCCNC2=O)[C@H](OC)C1 1081891984 FFLXQFGHFYBSJV-CHWSQXEVSA-N 310.398 -0.207 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2CN(C[C@H](C)O)C[C@H]2OC)c1 1082117163 PUTFGAOPIDQXJM-NILFDRSVSA-N 303.362 -0.127 30 20 DBED C=CCN1C[C@@H](NC(=O)[C@H]2CCCS2(=O)=O)[C@H](OC)C1 1082377459 QLVVINPIVWNRKX-IJLUTSLNSA-N 302.396 -0.435 30 20 DBED C=CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CN(C)CCO1 1083035309 LVHHJJZGIUXVKP-RRFJBIMHSA-N 309.410 -0.195 30 20 DBED C=CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CCCN(C(N)=O)C1 1083136315 QJIMKGBMVWKSAP-MELADBBJSA-N 322.409 -0.125 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CC[C@@H](C(N)=O)C1 1083193693 DRWQJVXPTLPHAU-ZOBORPQBSA-N 305.378 -0.567 30 20 DBED C=CCN1CC[C@H](N2C[C@H](O)[C@H](NC(=O)c3cocn3)C2)C1=O 1083370023 ZNXXQJKMLJPFFJ-WXHSDQCUSA-N 320.349 -0.764 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)c2ccnc3c2CC(=O)N3)C1 1083604415 WLWNJABHRVPESX-OLZOCXBDSA-N 316.361 -0.073 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)c2nc3nccc(C)n3n2)C1 1084022713 ULUKWHGEAQRAEO-NEPJUHHUSA-N 314.349 -0.769 30 20 DBED N#CCN1CC[C@@H]2CN(C(=O)[C@@H]3CCc4nnc(O)n4C3)[C@@H]2C1 1084464162 XJZHDMIZOFWCCX-IJLUTSLNSA-N 316.365 -0.398 30 20 DBED C#CCN1C[C@H](NC(=O)Cn2cnnn2)CC2(CCOCC2)C1 1089924978 WCYZICVQNFMOAA-CYBMUJFWSA-N 318.381 -0.706 30 20 DBED CC(C)(C)n1nnc(C(=O)N[C@@H]2CCN(CC#N)C[C@H]2O)n1 1090278967 INJVYAVXMAQFIP-NXEZZACHSA-N 307.358 -0.883 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2cnn(CC3CC3)c2)[C@@H](O)C1 1090708596 VRYWDLBEUDZQGC-KGLIPLIRSA-N 303.366 -0.018 30 20 DBED C=CCCN1CC[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)[C@H](O)C1 1090771423 SAMSNCALLMDIDX-CHWSQXEVSA-N 323.397 -0.982 30 20 DBED CC#CCN1CC[C@@H](NC(=O)Cn2ccccc2=O)[C@H](O)C1 1090799105 SHMRDTUARZOKDZ-ZIAGYGMSSA-N 303.362 -0.577 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1OC 1090869097 LDQKXROBXJNNDJ-CHWSQXEVSA-N 317.349 -0.129 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(c2cc(COC)ncn2)C[C@@H]1O 1091081987 VHMLAZJXULEACY-OLZOCXBDSA-N 322.365 -0.509 30 20 DBED COCC(=O)N[C@@H]1CCN(c2nc(C)ccc2C#N)C[C@@H]1O 1092127441 YQVJQDRJWBAENM-OLZOCXBDSA-N 304.350 -0.036 30 20 DBED Cc1nsc(N2CC[C@H](NC(=O)CC(N)=O)[C@H](O)C2)c1C#N 1092134182 KSXJBIYWUAURRN-VHSXEESVSA-N 323.378 -0.746 30 20 DBED COC(=O)NCC(=O)N[C@H]1[C@@H]2CN(c3ccnc(C#N)n3)C[C@@H]21 1093239256 JILYTUUXUSSGFA-WOFXILAISA-N 316.321 -0.745 30 20 DBED COCCOCC(=O)N[C@H]1[C@@H]2CN(c3nccnc3C#N)C[C@@H]21 1093254897 UMDZGJIJXLPAAQ-YABSGUDNSA-N 317.349 -0.438 30 20 DBED C[C@H](CC(N)=O)C(=O)N[C@H]1[C@@H]2CN(c3ccc(C#N)nn3)C[C@@H]21 1093329964 ANBTXHPWZOMKIG-GJTWSCIVSA-N 314.349 -0.589 30 20 DBED CCc1nc(C#N)cc(NCCNC(=O)C2(C(=O)NC)CC2)n1 1093729320 MZWBEFJPOGQGOO-UHFFFAOYSA-N 316.365 -0.035 30 20 DBED CNC(=O)C1(C(=O)NCCN=c2cc[nH]c(C#N)n2)CCC1 1093769529 LENUDTVODYHZJQ-UHFFFAOYSA-N 302.338 -0.785 30 20 DBED N#Cc1nccnc1NCCNC(=O)C[C@@H]1CCS(=O)(=O)C1 1093991967 PGHCFEXFMFRLEF-JTQLQIEISA-N 323.378 -0.299 30 20 DBED N#Cc1c[nH]ccc1=NCCNC(=O)c1cnn2c(=O)cc[nH]c12 1094160175 AOFOWVWHWYVUBH-UHFFFAOYSA-N 323.316 -0.447 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)Cc3ccn(C)n3)CC2=O)C1 1094737627 WRRWUQNGSKGXHN-ZDUSSCGKSA-N 317.393 -0.450 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)c3c[nH]nc3CC)CC2=O)C1 1094753470 LNWXRNOQHJPPOA-NSHDSACASA-N 315.377 -0.380 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)[C@@H]3CCO[C@H]3CC)CC2=O)C1 1094761959 VFHXVSJREFEEPG-CFVMTHIKSA-N 319.405 -0.164 30 20 DBED N#Cc1cncc(N[C@@H]2CCN(C(=O)CCNC(N)=O)C2)n1 1095035429 ZZBOKRLJVNDGBQ-SECBINFHSA-N 303.326 -0.581 30 20 DBED CC(=O)N[C@H](C)C(=O)N1CC[C@H](N(C)c2cnc(C#N)cn2)C1 1095089987 IOPFGIXOVQLKGN-MFKMUULPSA-N 316.365 -0.090 30 20 DBED CN(C)C(=O)CC(=O)N1CC[C@@H](N(C)c2ccc(C#N)nn2)C1 1095155241 AESDBNVNVLLFQP-GFCCVEGCSA-N 316.365 -0.136 30 20 DBED CN(CCCNC(=O)CCn1cnnn1)c1cncc(C#N)n1 1095619200 NWKASYVWSKQZCJ-UHFFFAOYSA-N 315.341 -0.632 30 20 DBED CN1C[C@H](C(=O)NCCCN(C)c2ccncc2C#N)NC1=O 1095696678 JYLMMZREZJVXJM-GFCCVEGCSA-N 316.365 -0.081 30 20 DBED N#Cc1nccnc1N1CCC[C@H](NC(=O)CNC(N)=O)C1 1096136470 JCJUIRFZKXTRJB-VIFPVBQESA-N 303.326 -0.898 30 20 DBED C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC(N)=O)CC1 1096607416 BCZKQQQMIBQAOR-ILXRZTDVSA-N 318.421 -0.462 30 20 DBED N#Cc1nccnc1N[C@@H](CNC(=O)[C@@H]1COC(=O)N1)C1CC1 1096660704 YNQCEGOQWUOILM-QWRGUYRKSA-N 316.321 -0.237 30 20 DBED C=C(C)CCN(CCO)C1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 1098463194 FAJXXJYTOBYZQP-AWEZNQCLSA-N 324.425 -0.081 30 20 DBED COCC#CCN1C[C@H]2[C@H]3CC[C@@H]([C@H]2C1)N(C(=O)C(N)=O)C3 1099521423 RBTAWCRGXIGREF-XUXIUFHCSA-N 305.378 -0.710 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)COCC2CC2)[C@H](O)C1 1099701747 IXDBBHTYWYYJAT-HUUCEWRRSA-N 310.394 -0.386 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(Cc2cn(C)nn2)C[C@@H]1O 1099737635 BFZZMLMTBKJJOX-OLZOCXBDSA-N 309.370 -0.931 30 20 DBED CN(CCNC(=O)C[C@H]1COC(=O)C1)c1cnc(C#N)cn1 1100012505 XPFMUZFVEOBPDO-SNVBAGLBSA-N 303.322 -0.146 30 20 DBED N#CCN1CC[C@@H](NC(=O)CNC(=O)CC2CCCC2)[C@@H](O)C1 1100032245 REEILDQDXFWYOM-KGLIPLIRSA-N 322.409 -0.242 30 20 DBED CC1(CCC(=O)N[C@@H]2CCN(CC(=O)NCC#N)C[C@@H]2O)CC1 1100060834 YUNVPNSYBMFLJB-OLZOCXBDSA-N 322.409 -0.242 30 20 DBED C#CCN1CC[C@H](NC(=O)CNC(=O)c2ccco2)[C@H](O)C1 1100097040 QULGRROJTRJLIQ-NWDGAFQWSA-N 305.334 -0.806 30 20 DBED C=CCCOCC(=O)N[C@H]1CCN(CCn2cncn2)C[C@H]1O 1100138872 LYCKCRDUIZBFSE-UONOGXRCSA-N 323.397 -0.578 30 20 DBED CN(CCNC(=O)C[C@@H]1NC(=O)NC1=O)c1ccc(C#N)nc1 1100388526 OVRKUBTUSIIWJD-NSHDSACASA-N 316.321 -0.896 30 20 DBED COC[C@H](C)CC(=O)NCC1CC(NCC(=O)NCC#N)C1 1100809100 VTMBYHOYUQCSOF-PNESKVBLSA-N 310.398 -0.217 30 20 DBED N#Cc1nccc(N2CCC[C@@H]2CNC(=O)CCNC(N)=O)n1 1100833247 LVHJXBCWOBAQGG-SNVBAGLBSA-N 317.353 -0.508 30 20 DBED C[C@H](CC(N)=O)C(=O)NC[C@H]1CCN(c2cncc(C#N)n2)C1 1101035346 CZZGKTGUERCFIN-GHMZBOCLSA-N 316.365 -0.198 30 20 DBED CN(CCNc1ncccc1C#N)C(=O)[C@@H]1CCS(=O)(=O)N1 1101626357 DZARWBPDZXZHSX-NSHDSACASA-N 323.378 -0.485 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)[C@@H]1CCCC(=O)N1C 1101720672 KFJXLOYMUUIKJQ-NSHDSACASA-N 316.365 -0.349 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)c2cnc(C)[nH]2)C1 1101812697 HMIUKVMEWRPVMG-DGCLKSJQSA-N 317.393 -0.235 30 20 DBED C=CCNCC[C@@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@H]1C 1104213787 QLIXECNUZHSPMB-VXGBXAGGSA-N 320.397 -0.363 30 20 DBED C[C@H](CNc1nccnc1C#N)N(C)C(=O)CCn1cnnn1 1104647637 KRAIWKWXUQYTJO-SNVBAGLBSA-N 315.341 -0.316 30 20 DBED C[C@H](NC(N)=O)C(=O)N(C)CCN(C)c1ncccc1C#N 1105379641 DHQMSIWVEGUGAA-JTQLQIEISA-N 304.354 -0.095 30 20 DBED C[C@H](CC(N)=O)C(=O)NC[C@@H](O)CNc1ccc(C#N)nc1 1106059952 MDKBHSCOKAXKBD-SKDRFNHKSA-N 305.338 -0.646 30 20 DBED N#Cc1cncc(NC[C@@H](O)CNC(=O)[C@@H]2[C@H]3COC[C@H]32)n1 1106063017 QJXWTXWFTYNKKO-DCQANWLSSA-N 303.322 -0.870 30 20 DBED N#Cc1cnc(NC[C@@H](O)CNC(=O)CC2=CCOCC2)cn1 1106079020 UAGQDKQWXAHRGE-CYBMUJFWSA-N 317.349 -0.026 30 20 DBED C[C@@H]1CN(C(=O)CNC(=O)N2CCCC2)C[C@H]1CNCC#N 1106116422 CSYUZFNDZPLVGB-CHWSQXEVSA-N 307.398 -0.001 30 20 DBED C[C@H](CN=c1cc[nH]cc1C#N)NC(=O)COCCN(C)C 1107848367 FPWNLQYPEBLODF-GFCCVEGCSA-N 305.382 -0.130 30 20 DBED C[C@H](CNc1ccc(C#N)nn1)NC(=O)C1CS(=O)(=O)C1 1107951769 IKJVNMFPNKLFBF-MRVPVSSYSA-N 309.351 -0.691 30 20 DBED C[C@H]1CC(=O)N[C@@H](C(=O)N[C@H](C)CN=c2cc[nH]c(C#N)n2)C1 1108155378 MZPYGQQRRIAMDY-GMTAPVOTSA-N 316.365 -0.399 30 20 DBED C[C@@H](CNc1nccnc1C#N)NC(=O)Cn1cnnc1O 1108315826 PVXXSJUPGXJVFW-QMMMGPOBSA-N 302.298 -0.738 30 20 DBED CC#CCN1CC(N2C[C@@H](NC(=O)[C@@H](C)OCC)CC2=O)C1 1108513134 BCOSVLQHHVDAHQ-OLZOCXBDSA-N 307.394 -0.164 30 20 DBED C[C@@H](OCC1CC1)C(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1 1108521786 JMDARSDCJIUPCN-YPMHNXCESA-N 320.393 -0.274 30 20 DBED CC#CCN1CC(N2C[C@H](NC(=O)[C@@H](COC)OC)CC2=O)C1 1108569586 KWJSNIAQMDIQJP-TZMCWYRMSA-N 323.393 -0.928 30 20 DBED C[C@H](CN(C)c1nccnc1C#N)NC(=O)[C@H]1COC(=O)N1 1108926685 IOMDDSBWWFPJJE-PSASIEDQSA-N 304.310 -0.602 30 20 DBED COC[C@H](OC)C(=O)N[C@H](C)CN(C)c1ccnc(C#N)n1 1109219189 GDHJMETYWCWRQU-MNOVXSKESA-N 307.354 -0.049 30 20 DBED CO[C@H](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1110376109 GXMGVLNPUDZWGW-LPWJVIDDSA-N 308.382 -0.227 30 20 DBED Cc1ccc(C#N)c(N2C[C@H](O)[C@@H](N(C)C(=O)CC(N)=O)C2)n1 1111176459 JQJUQIGXAAIMPD-RYUDHWBXSA-N 317.349 -0.855 30 20 DBED COC[C@@H](C)C(=O)NC[C@H]1COCCN1c1cnc(C#N)cn1 1111665653 MHTVQSBKHCGDOI-YPMHNXCESA-N 319.365 -0.048 30 20 DBED CNC(=O)CC(=O)NCC1(Nc2cncc(C#N)n2)CCC1 1111786416 QCQCMIAAGXEZKZ-UHFFFAOYSA-N 302.338 -0.065 30 20 DBED C[C@@H]1CN(c2cnc(C#N)cn2)CC[C@H]1NC(=O)CNC(N)=O 1112392428 GTWWEZAIKRMZFS-MWLCHTKSSA-N 317.353 -0.652 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)c2nocc2C)CC1 1113497510 ZXCXSIXJBIPLCF-LBPRGKRZSA-N 304.350 -0.121 30 20 DBED C[C@@H](CNC(=O)c1nnn(C)n1)N(C)c1ncc(C#N)cc1F 1113814516 FQQWTVLTVGEZJL-QMMMGPOBSA-N 318.316 -0.129 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1[C@@H]2CN(Cc3cnoc3C)C[C@@H]21 1114160313 VXMBILFBMPKQQO-VIKVFOODSA-N 316.361 -0.331 30 20 DBED CCO[C@H](C(=O)NC1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]12)C1CC1 1114291523 ZTJLSPURLGHVGG-JMSVASOKSA-N 320.393 -0.512 30 20 DBED Cc1ncn(C)c1C(=O)NC1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]12 1114431989 WSEPFPLYRJXCFI-GHMZBOCLSA-N 316.365 -0.972 30 20 DBED C[C@H](CCCN=c1cc[nH]cc1C#N)NC(=O)Cn1cnnn1 1114838817 IWGUHRXASNHXIL-LLVKDONJSA-N 314.353 -0.241 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@@H](C)CCOC)[C@H]2C1 1115263012 HAPSQBDTDYNMRR-RMRHIDDWSA-N 307.394 -0.545 30 20 DBED COC[C@H](C)C(=O)NCCOCCCN=c1cc[nH]c(C#N)n1 1115393705 MWBFQXXVSOIGTN-LBPRGKRZSA-N 321.381 -0.013 30 20 DBED CCCNC(=O)CCC(=O)NCCN/C(O)=C1\N=CC=CC1=O 1116037884 YPXPPGIRUAEYHR-CCEZHUSRSA-N 322.365 -0.065 30 20 DBED CCOCC(=O)NC1CC2(CC(NCC(=O)NCC#N)C2)C1 1120563500 NHHOAKYSLZFTDI-UHFFFAOYSA-N 308.382 -0.320 30 20 DBED C[C@@H](CN(C)C(=O)[C@H]1CNC(=O)N1)Nc1cnc(C#N)cn1 1120634720 PAJJWPOMSDPLOZ-WCBMZHEXSA-N 303.326 -0.712 30 20 DBED COCCCC(=O)NC[C@H](CO)N=c1cc(C)[nH]cc1C#N 1121085722 ACTVOIRWPYXKKF-CYBMUJFWSA-N 306.366 -0.001 30 20 DBED C[C@H](C(=O)NC[C@H](CO)Nc1ccc(C#N)nc1)n1cncn1 1121346664 RYLGVUYYJXEECA-ZWNOBZJWSA-N 315.337 -0.305 30 20 DBED CCOC1CC(C(=O)NC[C@H](CO)N=c2cc[nH]c(C#N)n2)C1 1121397868 DMDGOYIJHQMCAJ-MOENNCHZSA-N 319.365 -0.526 30 20 DBED N#Cc1cccnc1N[C@H](CO)CNC(=O)Cn1ccnc1 1121718043 LPCWOLSXBWJSMU-LBPRGKRZSA-N 300.322 -0.261 30 20 DBED CN1CCCC[C@H]1C(=O)NC[C@@H](CO)Nc1cnc(C#N)cn1 1122342599 PUYXIAYCOWHNAP-STQMWFEESA-N 318.381 -0.278 30 20 DBED N#Cc1cncc(N[C@H](CO)CNC(=O)c2csnn2)n1 1122366367 ZYTOCXHLTYCFAM-QMMMGPOBSA-N 305.323 -0.597 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)c1cnn(C)c1 1124031049 XBSBVSSSGZVBFL-LLVKDONJSA-N 315.337 -0.951 30 20 DBED Cc1c[nH]nc1C(=O)N(C)C[C@H](O)CNc1ccc(C#N)nn1 1124284030 VBCPXQOJEDPDNI-LLVKDONJSA-N 315.337 -0.075 30 20 DBED C#CCCCC(=O)NCCNC[C@H](O)CN1C(=O)CCC1=O 1126344152 OIRBNMFOHYAYIF-LBPRGKRZSA-N 309.366 -0.994 30 20 DBED C=C(C)CN(CC)C(=O)[C@H](C)NCCNC(=O)Cn1nccn1 1128277752 BBFXOFGJSINRNU-ZDUSSCGKSA-N 322.413 -0.203 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)CCn2ccnc2)C1 1129144870 WDHFBIQPKOCYOG-KGLIPLIRSA-N 313.365 -0.460 30 20 DBED C=C[C@](C)(O)CC(=O)N1C[C@H](n2ccnn2)[C@H](NCCF)C1 1129795692 MNWXEMCBUUPOFM-DYEKYZERSA-N 311.361 -0.084 30 20 DBED CC#CCN[C@@H]1CN(C(=O)[C@@]23COC[C@@H]2C3)C[C@@H]1n1ccnn1 1129864408 YSCQBMIESAGWSS-FQLMCAECSA-N 315.377 -0.321 30 20 DBED C[C@@H](CC(N)=O)C(=O)NCc1c[nH]nc1[C@@H]1CCN(CC#N)C1 1130415811 PWYZZRBTHLOCOD-WDEREUQCSA-N 318.381 -0.150 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1cc(CN(C)C)on1 1130647852 AZCUMOJZCSZAMG-LLVKDONJSA-N 321.381 -0.807 30 20 DBED C=C[C@@](C)(O)CC(=O)N1C[C@H]2C[C@@H]3CN(CCCO)C[C@]2(C1)O3 1131220275 KDUBMKNXSCXXSP-MUIFIZLQSA-N 324.421 -0.002 30 20 DBED C#CCCN1CCNC(=O)CCN(C(=O)CC(=O)NCC)CC1 1131357135 ITOYAXNFVHCQFV-UHFFFAOYSA-N 322.409 -0.814 30 20 DBED C#CCN1C[C@@H](NC(=O)CCCN2C(=O)CNC2=O)CC[C@@H]1C 1132477951 GYGAKYOVDUQFDJ-STQMWFEESA-N 320.393 -0.079 30 20 DBED C#CCNC[C@H]1CN(C(=O)CN2CC(=O)NC2=O)CC[C@@H]1C 1133186057 NDBLHGXFPWFGJE-RYUDHWBXSA-N 306.366 -0.754 30 20 DBED C=CCOCC(=O)N[C@@H](C)C[C@H](C)NCCNS(C)(=O)=O 1133913742 WAFAGVJPANYUSG-RYUDHWBXSA-N 321.443 -0.389 30 20 DBED Cc1[nH]nc(C(=O)N[C@H](C)C[C@H](C)NCC(=O)NCC#N)c1O 1134094539 FYSLLQLMTVVOPA-DTWKUNHWSA-N 322.369 -0.450 30 20 DBED C#CCOCCC(=O)N[C@@H](C)C[C@H](C)NCCOCCO 1134353115 VWVPNUYDYQMGKW-KBPBESRZSA-N 300.399 -0.092 30 20 DBED C#CCNC(=O)CNCCNC(=O)CCn1ccnc1C(C)C 1134723748 UJMOKROEDPVMRA-UHFFFAOYSA-N 319.409 -0.148 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H](C)Cc1cnc[nH]1 1135072285 SYBLAFBHYXJSQV-NWDGAFQWSA-N 307.398 -0.015 30 20 DBED N#Cc1ccc(CNCCNC(=O)C2CC(=O)NC(=O)C2)cc1 1135270331 XNGBUZYMFLMLCT-UHFFFAOYSA-N 314.345 -0.183 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1cnccc1N(C)C 1148057834 MSKUTPAFCSASCM-GFCCVEGCSA-N 317.393 -0.395 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@H](CC(C)C)NC(C)=O 1148477986 NLBCJIHBNLPQPX-OCCSQVGLSA-N 324.425 -0.619 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(Cc2nnn(C)n2)CCCO1 1149431945 NTLDPYZPYQNLTJ-GFCCVEGCSA-N 324.385 -0.880 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(Cc2nc(O)n[nH]2)CCCO1 1149674028 RROLVXJVXPDKEL-LBPRGKRZSA-N 321.381 -0.123 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)CS(=O)(=O)CCC 1151394613 HWGPEFAACFTICK-NSHDSACASA-N 319.427 -0.792 30 20 DBED C#CCNC(=O)CC(=O)NCCCNCc1cc(OC)ccn1 1156852714 LOJFJRRWISZEET-UHFFFAOYSA-N 318.377 -0.174 30 20 DBED C#CCO[C@@H](C)C(=O)NCCCNC[C@H](C)CS(C)(=O)=O 1157880583 RUTMUGNLNBFBJL-STQMWFEESA-N 318.439 -0.199 30 20 DBED Cn1[nH]c(CNCC2(CCNC(=O)C#CC3CC3)CC2)nc1=O 1164487564 XGSPUKYMJKIBOD-UHFFFAOYSA-N 317.393 -0.102 30 20 DBED Cc1cc(C2(C(=O)NCCCNCC(=O)NCC#N)CC2)on1 1164532506 VJKHNGXCSGHZOW-UHFFFAOYSA-N 319.365 -0.250 30 20 DBED C[C@H](CC(=O)NCCCNCC(=O)NCC#N)n1ccnc1 1167432554 WLHZJFYEGMPWQB-GFCCVEGCSA-N 306.370 -0.430 30 20 DBED C=CCO[C@@H](C)C(=O)NCCCNC[C@H](O)COCCOC 1177273101 HQPXGPVKJHDWEN-KBPBESRZSA-N 318.414 -0.303 30 20 DBED Cn1c(O)ncc(C(=O)NCCCCCCNCC#N)c1=O 1179208024 GUDCCECLTZICDJ-UHFFFAOYSA-N 307.354 -0.111 30 20 DBED N#CCNC(=O)CNCCCCCCNC(=O)c1cnon1 1179856227 FCPNTZWMJJQSCW-UHFFFAOYSA-N 308.342 -0.411 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](NCc2cscn2)C1 1182145223 KITAMOXUFLACPA-LLVKDONJSA-N 306.391 -0.027 30 20 DBED C#CCNC[C@@H]1CCN(C(=O)CCNS(C)(=O)=O)C[C@H]1C 1184523417 LPQYKCPMEDLLHX-OLZOCXBDSA-N 315.439 -0.367 30 20 DBED C#CCNC[C@H]1CCN(C(=O)CN(C)S(C)(=O)=O)C[C@H]1C 1184523448 LXGMPSXFOXUXDZ-CHWSQXEVSA-N 315.439 -0.415 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)C2(CN(C)C)CC2)C1 1185214158 ORGYCACVIQUXOM-ZIAGYGMSSA-N 320.437 -0.343 30 20 DBED C#CCNC[C@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)CC12CCOCC2 1186494956 ULOYFVLBEWMYHQ-MJBXVCDLSA-N 319.405 -0.414 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H]2CN(C[C@H]3CCOC3)C[C@H]21 1187598723 ZSEUCCJYDOIQNC-QLFBSQMISA-N 319.405 -0.305 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H](C)C2CCOCC2)C1 1188482535 GOAWACHXMSBTAC-DZGCQCFKSA-N 321.421 -0.011 30 20 DBED CN(CC(=O)NCC#N)[C@H]1CCN(C(=O)c2cnccn2)C1 1188685871 TZOIGNGYURQKGR-NSHDSACASA-N 302.338 -0.737 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)[C@@H](C)n2cncn2)C1 1189695521 JUFYJJPOXCUNNC-OLZOCXBDSA-N 318.381 -0.879 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2cccc(C)n2)C1 1191077607 XDPOMBAYSFSJGU-ZIAGYGMSSA-N 318.377 -0.533 30 20 DBED C=C(C)CN(C)[C@H]1CCN(C(=O)CNS(=O)(=O)N(C)C)C1 1192597487 UFVLHJQMNBRLCB-LBPRGKRZSA-N 318.443 -0.509 30 20 DBED C[C@@H](c1nncn1C)N1C[C@@H](O)[C@H](NC(=O)C#CC2CC2)C1 1192822011 RTUSEOCMILRIJO-CYZMBNFOSA-N 303.366 -0.549 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2ncc(C)cn2)C[C@H]1O 1192890679 AWXIFURPHJYSES-MGPQQGTHSA-N 318.377 -0.515 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)CCCNC(=O)C2CC2)C1 1193500204 PTVNNVLCEQFHEH-ZIAGYGMSSA-N 307.394 -0.523 30 20 DBED C=CCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)S(C)(=O)=O)C1 1194168404 QZAFVIOYMOTJRF-IJLUTSLNSA-N 304.412 -0.453 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)c2nnn(C)c2C)CC1 1195393921 GLKQRQVLHULDLX-UHFFFAOYSA-N 318.381 -0.979 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)C2(CC)CC2)C1 1195973202 QFGUHXGTKTYWGO-JHJVBQTASA-N 307.394 -0.524 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(CCc2cnn(C)c2)C[C@H]1O 1199292102 BIIALZZRLITPSH-HUUCEWRRSA-N 322.409 -0.283 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)[C@H]2CC[C@@H]2C(N)=O)CC1 1201960202 VYDWGLACSMZHKH-STQMWFEESA-N 322.409 -0.619 30 20 DBED N#CCNC(=O)CNCC1CCN(C(=O)c2ccon2)CC1 1204646709 CBAMICGVAUXKAX-UHFFFAOYSA-N 305.338 -0.244 30 20 DBED C=CCOCC(=O)N1CCC(CNCc2nnn(C)n2)CC1 1204793665 LLAYKBHLEUSTSN-UHFFFAOYSA-N 308.386 -0.259 30 20 DBED C=CCNCC1CCN(C(=O)CCn2ncn(C)c2=O)CC1 1205749380 YUYFVIYXHDNYIW-UHFFFAOYSA-N 307.398 -0.014 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)c2nnn(C)c2C)[C@H](C)C1 1206713538 XJUFLGAVSFOPOD-ZYHUDNBSSA-N 320.397 -0.524 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@H](C)C1 1206880781 DNMLRTMAKUYGDA-BXUZGUMPSA-N 313.361 -0.314 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCN(C(=O)c2csc(O)n2)C1 1209119519 AFLOASXOBGWALI-SECBINFHSA-N 323.378 -0.317 30 20 DBED C=CCn1cc(C(=O)N2C[C@@H](NCCOCCO)[C@H](C)C2)nn1 1215832577 LCUISEVHRUNUHA-CHWSQXEVSA-N 323.397 -0.477 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)CCSC)C1 1219160746 ARFIVCQCROEOAJ-MNOVXSKESA-N 301.412 -0.797 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(Cc2noc(CC)n2)C[C@@H]1O 1219527661 XQRIMDMUUYJKAV-ZETOZRRWSA-N 324.381 -0.380 30 20 DBED CC(C)n1nnnc1CN1C[C@H](O)[C@H](NC(=O)C#CC2CC2)C1 1219590086 WACUCBQPNXIDBN-OLZOCXBDSA-N 318.381 -0.671 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)CNC(=O)C2CCCC2)C1 1219677273 XIHZQVNJVGVKLV-KGLIPLIRSA-N 307.394 -0.523 30 20 DBED CCC[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@@H]1O 1220307651 WXZMBWGYKNVQPY-LPWJVIDDSA-N 308.382 -0.776 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(CC(=O)NC2CC2)C[C@@H]1O 1221139867 QUPILONPPGHGGO-OLZOCXBDSA-N 311.382 -0.981 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)Cc1cc[nH]n1 1231379421 YGWLEQPYXQCKOD-ZDUSSCGKSA-N 303.366 -0.766 30 20 DBED C=CCNC(=O)CN1CC[C@H]1CN(C)C(=O)[C@@]12COC[C@@H]1C2 1234402212 JIDJOLRWNHVYOO-XEZPLFJOSA-N 307.394 -0.142 30 20 DBED COc1cc(C=NOCC(N)=O)cc(OC)c1OCC(N)=O 1319751901 GQIGPNBZVKSSIB-UHFFFAOYSA-N 311.294 -0.596 30 20 DBED CN(CC(N)=O)C(=O)c1cccc(NCC(=O)NCC#N)c1 1321611777 RBLSPXOUHKHJPU-UHFFFAOYSA-N 303.322 -0.704 30 20 DBED C[C@H](CCN(C)C)NC(=O)C(=O)NC1CCN(CC#N)CC1 1321889674 RHXUUMFLHGXESW-GFCCVEGCSA-N 309.414 -0.453 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)NCCc1cccc(C(N)=O)c1 1323780603 AACKKSVIKIOTTD-ZDUSSCGKSA-N 319.361 -0.239 30 20 DBED COC(=O)C1(CNC(=O)C(=O)Nc2ccn(CCC#N)n2)CC1 1325850562 KPRHZGYZCGVORE-UHFFFAOYSA-N 319.321 -0.195 30 20 DBED COC(=O)CC[C@@]1(C)NC(=O)N(CC(=O)NCCC#N)C1=O 1325867247 UOLGDUMBDJLPSN-CYBMUJFWSA-N 310.310 -0.720 30 20 DBED CN(C)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CC[C@](O)(CC#N)C2)C1 1326128637 QPHAWVNLYPUHGP-WOSRLPQWSA-N 322.409 -0.148 30 20 DBED C=C(C)COCCNC(=O)C(=O)N[C@@H]1CCc2nc(C)nn2C1 1326378307 UCLNOYPZGWNAOV-GFCCVEGCSA-N 321.381 -0.274 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N[C@@H]2CC[C@@H](CN)C2)nn1 1326583811 NDBMAILYRHNUMQ-GHMZBOCLSA-N 306.370 -0.676 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)NCCCCS(C)(=O)=O 1326614863 NVSRAWAMRGZSCP-SNVBAGLBSA-N 311.429 -0.120 30 20 DBED CCOC(=O)Cn1cnc(NC(=O)C(=O)NCC(C)(C)C#N)n1 1326680050 SDMLGXMUAKUVLH-UHFFFAOYSA-N 322.325 -0.554 30 20 DBED C=C(C)COCCNC(=O)C(=O)NCCN1CCOC[C@H]1C 1329685911 LXRFLYHIIHCPNA-CYBMUJFWSA-N 313.398 -0.468 30 20 DBED C#CCOCCNC(=O)C(=O)NC[C@@H]1Cc2ccccc2CN1 1331141770 XJUQRIWFQCORQI-HNNXBMFYSA-N 315.373 -0.417 30 20 DBED CN1C(=O)CC[C@@H](NC(=O)C(=O)Nc2ccc(C#N)cn2)C1=O 1332026625 GZRXFSIQJRJIBP-SECBINFHSA-N 315.289 -0.845 30 20 DBED N#C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](N3CCOC3=O)C2)C1 1335641773 MZBZIDQTQOJPLB-NWDGAFQWSA-N 320.349 -0.198 30 20 DBED C#CCCCn1nnnc1N1CCCN(S(C)(=O)=O)CC1 1335814066 MYOYKEYRSZQEIL-UHFFFAOYSA-N 312.399 -0.442 30 20 DBED C=CCN1CC[C@H](n2cc(CCNS(C)(=O)=O)nn2)C1=O 1336896651 PGMWYUZZEBRDQZ-NSHDSACASA-N 313.383 -0.671 30 20 DBED C=CCn1c(CCO)nnc1N1CCN(C(=O)N(C)C)CC1 1340594244 PBHIEBXQJGSVRB-UHFFFAOYSA-N 308.386 -0.198 30 20 DBED CN1CCC[C@H](CCNC(=O)C(=O)N2CC[C@](O)(CC#N)C2)C1 1345894462 UXAXAGLBZMIFFZ-CZUORRHYSA-N 322.409 -0.288 30 20 DBED C=CCn1cc(CNC(=O)C(=O)NCCCn2cccn2)nn1 1349027687 YHMIRHUYIQPRFE-UHFFFAOYSA-N 317.353 -0.517 30 20 DBED CC#CC[C@H](CO)NC(=O)C1CCN(S(=O)(=O)NC)CC1 1349458171 RIUAGXBAPOPLJX-GFCCVEGCSA-N 317.411 -0.947 30 20 DBED CS(=O)(=O)C1(C(=O)N2CC[C@@](O)(CC#N)C2)CCOCC1 1362596270 RFQWHPYYLHLUSO-LBPRGKRZSA-N 316.379 -0.543 30 20 DBED COC(=O)[C@@H](NC(=O)Cn1cc(C#N)c(O)nc1=O)C(C)(C)C 1363160545 YREQRTDJQTWXOR-SNVBAGLBSA-N 322.321 -0.476 30 20 DBED COCCN(CCC#N)S(=O)(=O)NC[C@H]1CC(C)=NO1 1365404903 XLKFXBNPWWUPCD-LLVKDONJSA-N 304.372 -0.152 30 20 DBED CCn1cc(C(=O)N(C)C[C@H](O)CNC(=O)[C@H](C)C#N)c(C)n1 1371012212 ZPLXJIUXHFMRIL-ZYHUDNBSSA-N 321.381 -0.080 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CCCN(C(=O)[C@@H]2CCC(=O)N2C)C1 1374539124 IAKKHMFENWGCMW-SRVKXCTJSA-N 306.366 -0.126 30 20 DBED CCC(=O)NCC(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 1396744160 JCSRAWYRFYNHQF-LLVKDONJSA-N 317.349 -0.257 30 20 DBED CC(=O)N1CC(C(=O)N2CC[C@H](CN(C)C(=O)[C@H](C)C#N)C2)C1 1432058045 FZHPMDDLPFADQQ-DGCLKSJQSA-N 320.393 -0.069 30 20 DBED CCN1CCC(NC(=O)CCn2cc(C#N)c(O)nc2=O)CC1 1440683178 OSPRPUVHBWFHKC-UHFFFAOYSA-N 319.365 -0.189 30 20 DBED Cc1nn(C)c(N2CCN(C(=O)CCC(N)=O)CC2)c1C#N 1447785327 POSHDOUCCHSKMB-UHFFFAOYSA-N 304.354 -0.486 30 20 DBED C[C@@H](C#N)C(=O)N(C)CC1CCN(C(=O)Cn2cnnn2)CC1 1456120928 QPIRSKMDIFXBGA-NSHDSACASA-N 319.369 -0.470 30 20 DBED COC[C@@H](OC)C(=O)N1CC[C@@H]1CNC(=O)c1cc(C#N)c[nH]1 1458682764 ZJTZQJQHTHFEHZ-DGCLKSJQSA-N 320.349 -0.122 30 20 DBED C=CCN1CC[C@H](N[C@H]2CCN(C(=O)CNC(C)=O)C2)C1=O 1480103928 QTQBCRWQKUWGFS-STQMWFEESA-N 308.382 -0.900 30 20 DBED C[C@H](C#N)C(=O)NCC1(NCCN2CCCS2(=O)=O)CC1 1483723627 SZOJWSQAJJFAGH-LLVKDONJSA-N 314.411 -0.580 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1C[C@@H](NC(=O)CCn2cncn2)C1 1514928139 FAKJEDIAMUMRIZ-SDDRHHMPSA-N 304.354 -0.161 30 20 DBED C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC#CCN(C)C 1520374402 VLYQHVJZSPWISF-NEPJUHHUSA-N 313.398 -0.058 30 20 DBED C#CC[C@H](NS(=O)(=O)c1ccc(-n2cnnn2)cc1)C(=O)O 1573304057 YFYXTICZRWWYMK-NSHDSACASA-N 321.318 -0.583 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCN(C)c1nccnc1-c1nn[nH]n1 1573562288 RZKFKCQAVTYQNY-VIFPVBQESA-N 315.341 -0.289 30 20 DBED C[C@@H](CNC(=O)[C@H](C)C#N)CNc1cncc(-c2nn[nH]n2)n1 1574835456 HFKWLLSOYQZBPF-RKDXNWHRSA-N 315.341 -0.019 30 20 DBED C[C@H](N)C1(C(=O)N2CCN(C(=O)CC#N)CC2)CCOCC1 1576101759 AHXWHMWLCVDTKI-LBPRGKRZSA-N 308.382 -0.285 30 20 DBED C#CC1(O)CN(S(=O)(=O)c2cccc(F)c2-c2nn[nH]n2)C1 1588333024 AZOJPDOFGSKINQ-UHFFFAOYSA-N 323.309 -0.626 30 20 DBED C=C(CCC(=O)O)C(=O)N1CCC(O)(COCCO)CC1 1588613882 GMTZUBDUOPGRGX-UHFFFAOYSA-N 301.339 -0.230 30 20 DBED CC(C)(C)OC(=O)N[C@H](CCC(=O)O)C(=O)NCC#CCO 1590273725 PBWOTRXLVASFHY-SNVBAGLBSA-N 314.338 -0.144 30 20 DBED N#C[C@H]1CN(S(=O)(=O)NC2CCC(C(=O)O)CC2)CCO1 1594606241 SSFFCJCUVAGXOO-ILDUYXDCSA-N 317.367 -0.311 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N1C[C@@H](C)O[C@@H](C(=O)O)C1 1596230982 FKKBXBNTYBRWCB-GMTAPVOTSA-N 319.383 -0.113 30 20 DBED N#CC1(C(=O)O)CCN(C(=O)CCC(=O)N2CCOCC2)CC1 1601048650 IGOMLQRCHDCVMW-UHFFFAOYSA-N 323.349 -0.158 30 20 DBED C#CCOCCNC(=O)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 1602729635 ZHGUZTMHCFNRAE-LBPRGKRZSA-N 301.306 -0.334 30 20 DBED C=CC[C@@H](C(=O)O)N1CCN([C@]2(C(=O)OC)CCOC2)CC1 1602834607 ACKVMBWLDQWYNT-SWLSCSKDSA-N 312.366 -0.035 30 20 DBED C=CC[C@H](C(=O)O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 1602835744 WJNUISCRVNRAGF-VXGBXAGGSA-N 302.396 -0.180 30 20 DBED COC(=O)N(C)CCNc1cnc(C#N)c(-c2nn[nH]n2)n1 1604943762 CIGKPGFWGVFMQZ-UHFFFAOYSA-N 303.286 -0.362 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@@H]1CCC[C@@H]1C(=O)O 1606885026 XREXFAXEQGXTTP-WDEREUQCSA-N 319.383 -0.064 30 20 DBED C[C@@H](Cn1c(N)nc(C#N)c1-c1nn[nH]n1)CS(C)(=O)=O 1609116303 GUWGNFVPAFPOOD-LURJTMIESA-N 310.343 -0.802 30 20 DBED C=C1CCC(C(=O)NC[C@@H](O)CNC[C@@H](O)COC)CC1 1699062545 JOBSKISLKHTWJO-UONOGXRCSA-N 300.399 -0.193 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@@H](NC(=O)c2coc(C)n2)C1 1713969410 XZEXQPYPJFUCIN-CMPLNLGQSA-N 304.350 -0.075 30 20 DBED COCC#CCN1CCN(CCCNC(=O)c2cc[nH]n2)CC1 1752339004 FIVJFNNRPXADJU-UHFFFAOYSA-N 319.409 -0.203 30 20 DBED C=CCNC(=O)NC(=O)CN[C@H](C)CNC(=O)c1ccnnc1 1752903158 FUSFCJUWLDSIEG-SNVBAGLBSA-N 320.353 -0.804 30 20 DBED COCc1cc(C(=O)N(C)CCNCC(=O)NCC#N)no1 1753238469 JHFSAKZSMCGBAW-UHFFFAOYSA-N 309.326 -0.878 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC(NC(=O)c2ccn(C)c2C)C1 1753387148 QPUZTDPSCXFNGM-GFCCVEGCSA-N 302.378 -0.115 30 20 DBED COCC1(C(=O)N(C)[C@@H]2CCN(CC(=O)NCC#N)C2)CCC1 1753439114 DLFIOSKTDHGBAM-CYBMUJFWSA-N 322.409 -0.024 30 20 DBED CC#CCNCC[C@@H]1CCCN(C(=O)Cn2ncn(C)c2=O)C1 1753550524 SKUWRBATXOSZRT-AWEZNQCLSA-N 319.409 -0.177 30 20 DBED CN(C)S(=O)(=O)CC(=O)N1CC[C@H]2[C@@H](CCN2CC#N)C1 1753876320 UABFTIQEKNJUCL-RYUDHWBXSA-N 314.411 -0.676 30 20 DBED CCN(CCNC[C@H](O)CN1CCCC1=O)C(=O)[C@@H](C)C#N 1754038290 FIBFEXZEHMZZSK-STQMWFEESA-N 310.398 -0.433 30 20 DBED C=CCN1CC[C@H](NC[C@@H](C)NC(=O)Cc2nonc2C)C1=O 1754247524 WZQJESSJEFDLCE-PWSUYJOCSA-N 321.381 -0.198 30 20 DBED C=CCN1CC[C@@](O)(CNC(=O)[C@H]2CCCN(C(N)=O)C2)C1 1754752169 CHOYKSVHMVJGON-SWLSCSKDSA-N 310.398 -0.484 30 20 DBED C#CCN1CC[C@](O)(CNC(=O)CCCC(=O)NCCC)C1 1754758418 BGJUAQHNUHEHLB-INIZCTEOSA-N 309.410 -0.131 30 20 DBED C#CCCN1CCOC[C@@H]1CNC(=O)C(=O)NCC(F)F 1754969461 ZIMIWGBYSDCNJP-JTQLQIEISA-N 303.309 -0.792 30 20 DBED C#CCCN1CCOC[C@@H]1CNC(=O)C(=O)Nc1cc(C)on1 1754973570 DSNPOKMFAMZHGR-LBPRGKRZSA-N 320.349 -0.238 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)C1(C(=O)NC)CCC1)CCO2 1755051000 JASMFHXNUQZIEZ-UHFFFAOYSA-N 319.405 -0.161 30 20 DBED C#CCN[C@H]1CN(C(=O)CN(C)S(=O)(=O)CC)C[C@H]1C 1755118972 MDJAMXISZAFKFQ-NEPJUHHUSA-N 301.412 -0.662 30 20 DBED CC#CCN1CC(N2CCN(C(=O)COCCOCC)CC2)C1 1755145996 IEQDQTQWFPSOHJ-UHFFFAOYSA-N 323.437 -0.109 30 20 DBED C=CCNC(=O)CN1CC([C@H](C)NC(=O)C[C@H]2COC(=O)C2)C1 1755372703 GPWHHBOWOQWJGW-NWDGAFQWSA-N 323.393 -0.322 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H](C)C1CN(CC(=O)NCCC)C1 1755376564 FVCCJDYOYOMDNV-QWHCGFSZSA-N 309.410 -0.013 30 20 DBED C#CCN[C@@H]1C[C@H](C)N(C(=O)CCCn2c(O)nnc2O)C1 1755680210 DVHBPCRIAXMNDS-WDEREUQCSA-N 307.354 -0.318 30 20 DBED C#CCOCCC(=O)N[C@H]1CCCN(Cc2nnnn2C)[C@H]1C 1755719422 YVDXUZKELYOWAE-STQMWFEESA-N 320.397 -0.281 30 20 DBED C[C@H](NC(=O)CC(=O)N(C)C)[C@H](C)NC(=O)c1c[nH]c(C#N)c1 1755964606 MCLWSDQDIBXSFC-UWVGGRQHSA-N 319.365 -0.012 30 20 DBED C#CCNC(=O)CC(=O)NCC(C)(C)CN(C)C(=O)C(F)F 1755985182 KNNNDULHNPYOAT-UHFFFAOYSA-N 317.336 -0.008 30 20 DBED C=CCCC(=O)N[C@H](C)CN(C)C(=O)CCn1ncn(C)c1=O 1756476006 YBMIATMEQVBGSX-GFCCVEGCSA-N 323.397 -0.099 30 20 DBED CN(C[C@@H](O)CNC(=O)c1ccccn1)C(=O)CSCC#N 1756653234 AHWZMLYVIWVFJX-NSHDSACASA-N 322.390 -0.113 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)c2cncc(C)c2)C[C@@H]1O 1757162051 QMYXRFNZHBRSMD-KGLIPLIRSA-N 319.361 -0.106 30 20 DBED C=CCC(C)(C)C(=O)N1C[C@H](O)[C@H](NC(=O)Cn2cncn2)C1 1757213131 MAFKEKSMVHUOEH-NEPJUHHUSA-N 321.381 -0.432 30 20 DBED C=CCCOCC(=O)N[C@H]1CCN(C(=O)CNC(N)=O)[C@@H]1C 1757521510 ICPOMHPMIVXPHA-MNOVXSKESA-N 312.370 -0.647 30 20 DBED N#Cc1ncn(CC(=O)N[C@@H](C(N)=O)c2ccc(F)cc2)n1 1771656119 MNGXQQYFTSZNNZ-GFCCVEGCSA-N 302.269 -0.368 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC[C@@](O)(C(=O)O)C1 1776215371 PJDMRXZGYZCXKZ-ONGXEEELSA-N 305.356 -0.766 30 20 DBED C=C(C(=O)N1CC[C@]2(CN(C(=O)CN)CCO2)C1)C(F)(F)F 1783202894 PSVKVKLCEPXKPL-LBPRGKRZSA-N 321.299 -0.107 30 20 DBED CC(C)[C@H](S)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(O)O 1792897497 QSQPEBFRYLFKTH-VLEAKVRGSA-N 316.423 -0.110 30 20 DBED CC(C)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800776126 WOIHAHLSTJQEJJ-DRXBFXEBSA-N 322.361 -0.290 30 20 DBED N#CCC(=O)N1CC2(CCCN2C(=O)CCN2CCOCC2)C1 1842839428 MVRVXNLRJMNBKT-UHFFFAOYSA-N 320.393 -0.174 30 20 DBED C#CC(=O)N1CCCC12CN(C(=O)CN1CCN(C)CC1)C2 1845959247 WBMYAYXFIWXSPC-UHFFFAOYSA-N 304.394 -0.930 30 20 DBED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)Cc1cnc[nH]1)C2 1846195433 PDYZGEXHRVGCCA-UHFFFAOYSA-N 316.317 -0.756 30 20 DBED COC(=O)CN(CC(=O)N[C@](C)(C#N)C(C)C)CC(=O)OC 66236212 XJVFPHLCQOYFIF-CQSZACIVSA-N 313.354 -0.311 30 20 DBED CC(C)[C@H](C#N)N1CCN(C(=O)CNC2(C(N)=O)CC2)CC1 183831192 PBHAXUCWERLETM-LBPRGKRZSA-N 307.398 -0.714 30 20 DBED CN(CCCn1ccnc1)c1c(C#N)c(=O)n(C)c(=O)n1C 268929352 BPDZKZDIQIRSFT-UHFFFAOYSA-N 302.338 -0.321 30 20 DBED C[C@H](O)CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 269484452 RFNVWAADXNZWRO-VHSXEESVSA-N 311.363 -0.278 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H](CC)COC)C1=O 284188816 QWYBHMLMXRPIAT-RYUDHWBXSA-N 311.382 -0.227 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N(C)CC(=O)N1CCOCC1 298166008 MASNOEVDCIVHGQ-LLVKDONJSA-N 312.370 -0.823 30 20 DBED C#CCNS(=O)(=O)c1ccc(C(=O)NCCC(=O)NC)cc1 298921850 DLYWCQXLOFJOJA-UHFFFAOYSA-N 323.374 -0.536 30 20 DBED NC(=O)[C@@H]1CCCN(CCC/N=C(/N)N2CCSCC2)C1 303984875 SOKNNURORNICBH-GFCCVEGCSA-N 313.471 -0.063 30 20 DBED N#C[C@@H]1CC[C@H](N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)C1 328710509 BRVYMFRGAQFYLL-OLZOCXBDSA-N 318.377 -0.028 30 20 DBED CN1CCO[C@@H]2CN(/C(O)=N/CCn3cnc(C#N)n3)C[C@H]21 329219295 AUKVZDCFOYTXJS-GHMZBOCLSA-N 305.342 -0.921 30 20 DBED CC(C)N1C[C@H](/N=C(/O)N[C@@H]2CS(=O)(=O)C[C@@H]2C)CC1=O 329557235 BXVHIHGJZXANNC-HBNTYKKESA-N 317.411 -0.068 30 20 DBED C[C@H](CN1CCCC1=O)/N=C(/O)N1C[C@@H]2OCCN(C)[C@@H]2C1 329957791 QHGVUOLXVAVGLS-UPJWGTAASA-N 310.398 -0.074 30 20 DBED CN(CCC#N)C(=O)CCN1CCC[C@H](S(N)(=O)=O)C1 330820710 HBWPIRBVJNAHJZ-NSHDSACASA-N 302.400 -0.499 30 20 DBED N#Cc1ccc(NC(=O)CN2CCN3C(=O)NC(=O)[C@H]3C2)cc1 332567742 VBVOXLMANUQHBY-GFCCVEGCSA-N 313.317 -0.267 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N1CCS(=O)(=O)C[C@H]1C 337745678 CQMNJVAXMVWVQD-VHSXEESVSA-N 309.413 -0.416 30 20 DBED CN(C)C(=O)[C@H]1CC[C@@H](CNS(=O)(=O)N(C)CCC#N)O1 341227718 KFOYGHKVCALENQ-WDEREUQCSA-N 318.399 -0.698 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)NC[C@H]2CCC[C@H](CO)C2)CCO1 344958032 IIOIHBKUGLJEIH-RWMBFGLXSA-N 317.411 -0.156 30 20 DBED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(C(=O)OC)cc1 347235662 PTQJXVQMEFJSNP-UHFFFAOYSA-N 319.317 -0.170 30 20 DBED N#CCNC(=O)CNC(=O)Nc1cccnc1N1CCOCC1 349129256 VILFQCIIJDVUEY-UHFFFAOYSA-N 318.337 -0.321 30 20 DBED C[C@@H]1CCN(C(=O)C(=O)Nc2ccn(CCC#N)n2)C[C@H]1O 357726150 CBLSBKPVKHMDGS-GHMZBOCLSA-N 305.338 -0.035 30 20 DBED C=C(Br)CNC(=O)CNS(=O)(=O)N(C)C 389691932 HVXQEOYHSFEYBE-UHFFFAOYSA-N 300.178 -0.593 30 20 DBED N#CC1(CS(=O)(=O)N2CCO[C@@H](C(N)=O)C2)CCCCC1 408229209 OBJUKKKPALIMFR-LLVKDONJSA-N 315.395 -0.024 30 20 DBED Cn1c(NC[C@@H]2CCCN2CCCO)c(C#N)c(=O)n(C)c1=O 450592289 HDNWBIRFKSJULF-NSHDSACASA-N 321.381 -0.786 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@H](CC(C)C)C(N)=O)CC1 491380852 BDGLHGKNIGIURW-CYBMUJFWSA-N 322.409 -0.972 30 20 DBED C#CCN1CCN(C(=O)COn2nnc3cccnc32)CC1 491732609 AOYZXVSWUMZSLK-UHFFFAOYSA-N 300.322 -0.968 30 20 DBED COCCN1C[C@@H](C(=O)NC2(C#N)CCN(C)CC2)CC1=O 540104193 UZAGERGRROBZCM-LBPRGKRZSA-N 308.382 -0.415 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N2CC[C@@H](N3CCCC3)C2)CCO1 548832527 STEFIPAGHZTUEB-CHWSQXEVSA-N 314.411 -0.374 30 20 DBED N#CCNC(=O)CNC(=O)NCCN1Cc2ccccc2C1 588116407 YGCGXFALEVRFEX-UHFFFAOYSA-N 301.350 -0.059 30 20 DBED C[C@@H](C(=O)N(C)CC(=O)N1CC[C@](O)(CC#N)C1)n1cccn1 592843805 UQOPAVKNXQGTPK-SWLSCSKDSA-N 319.365 -0.220 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)Nc2cccnc2C(=O)O)CCO1 595237382 CGWIEHVFZHVTNM-MRVPVSSYSA-N 304.262 -0.531 30 20 DBED C[C@@H]1CCN(C(=O)C(=O)N2CCN(CCC#N)CC2)[C@H](CN)C1 601585114 WMXFFHOXZSPZAG-KGLIPLIRSA-N 321.425 -0.370 30 20 DBED C=C[C@@H](O)C(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F 614693541 OYSQQFPDYTUBDL-RQJHMYQMSA-N 304.290 -0.528 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)NCC(=O)N2CCCCC2)CCO1 619707400 NYTCZGKVNKXSGH-LLVKDONJSA-N 316.383 -0.942 30 20 DBED C=C(C)C[C@@H](NC(=O)CCN1CCCS1(=O)=O)C(=O)O 630324391 CUABGBWCWDNLET-SNVBAGLBSA-N 304.368 -0.052 30 20 DBED CC#CC[C@H](CO)NC(=O)C(=O)N=c1ccn([C@@H](C)COC)[nH]1 646951966 VATJTZVGIIMJCF-NWDGAFQWSA-N 322.365 -0.659 30 20 DBED N#CC1(CS(=O)(=O)NC(=O)Cn2ccccc2=O)CCC1 771077701 LFLQPJWVYUFIIP-UHFFFAOYSA-N 309.347 -0.012 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@H]1COCCN1CC 775010760 BYYFBBBMMFHOMX-WDEREUQCSA-N 313.354 -0.349 30 20 DBED C#CCNC(=O)CN1CCN(c2ccc(OCC)nn2)CC1 782315535 WQFKBSIJYSQALU-UHFFFAOYSA-N 303.366 -0.253 30 20 DBED CCN(CCC#N)S(=O)(=O)NCCN1C(=O)CSC1=O 800012681 NKSGOLSRKZVMQG-UHFFFAOYSA-N 320.396 -0.248 30 20 DBED C#C[C@@H](NC(=O)CNS(=O)(=O)c1cccnc1)[C@@H]1CCCO1 811185439 LPAFYLVQJYOLGX-OLZOCXBDSA-N 323.374 -0.343 30 20 DBED C=CCCn1cc(C(=O)N2CC(n3cc(C(=O)O)nn3)C2)nn1 819926665 IFKDJUAGYLNLDU-UHFFFAOYSA-N 317.309 -0.159 30 20 DBED C#CC[C@@H](NS(=O)(=O)c1ccc(N(C)C)nc1)C(=O)OC 841542114 WJGMSFIENILSJN-LLVKDONJSA-N 311.363 -0.009 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CC[C@H](C)[C@H](CN)C1)[C@@H]1CCCO1 842164313 USRGABDZLRWROM-CRWXNKLISA-N 307.394 -0.273 30 20 DBED CC(=O)NCC(C)(C)C(=O)NS(=O)(=O)CC1(C#N)CC1 845510477 FLZQYJGLTZOSPP-UHFFFAOYSA-N 301.368 -0.102 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)C[C@H]2CCN(C)C2)CC1 874382415 CUXGGULHYSMLQZ-OAHLLOKOSA-N 320.437 -0.388 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N(C)Cc1nccn1C 875596881 VCYIAJDMEBHLPC-LBPRGKRZSA-N 306.366 -0.077 30 20 DBED C#CC[C@H](CCOC)NC(=O)N1CCO[C@H](CNC(C)=O)C1 875920234 YIRGHOMFRLKESY-ZIAGYGMSSA-N 311.382 -0.039 30 20 DBED N#CCCN(CCC#N)C(=O)COC(=O)CN1CCCC1=O 925274860 FPKQBMDYFNKOEB-UHFFFAOYSA-N 306.322 -0.192 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](NC(=O)Cn2ccccc2=O)C1 940372475 ASKXZLQWBRILKB-VXGBXAGGSA-N 302.334 -0.275 30 20 DBED C[C@H](C#N)C(=O)N1CCCC[C@@H](NC(=O)Cn2cncn2)C1 943551523 UXOLMSMMZWDZLF-VXGBXAGGSA-N 304.354 -0.065 30 20 DBED Cc1cn(C)nc1C(=O)NC[C@H]1CN(C(=O)[C@H](C)C#N)CCO1 944588940 MBLOPHSOTXPKEM-PWSUYJOCSA-N 319.365 -0.155 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)COC)CCO1 944783329 KIBDAFUDLVGQIP-UPJWGTAASA-N 312.366 -0.433 30 20 DBED C[C@H]1CN(CC#N)CC[C@H]1NC(=O)c1cn(C)c(=O)nc1O 944906353 HQNQPZQUBXUPJG-GXSJLCMTSA-N 305.338 -0.550 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCN(C(=O)[C@@H]3COC(=O)N3)CC2)C1 944923702 VGPHHGPAUVVCKF-MNOVXSKESA-N 320.349 -0.295 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(C)(NC(=O)[C@@H]2CNC(=O)N2)CC1 956473127 NSJOISJXKIJRBL-UWVGGRQHSA-N 307.354 -0.675 30 20 DBED C#CCN1CCC(C(=O)N(CC)C2CN([C@@H](C)C(N)=O)C2)CC1 957421970 AHOKMDSSLYDZGP-ZDUSSCGKSA-N 320.437 -0.262 30 20 DBED C=CCN1C[C@H](O)[C@H](CNC(=O)c2cnc(N(C)C)cn2)C1 958070227 YJDVJHPUGOCMEC-YPMHNXCESA-N 305.382 -0.249 30 20 DBED C=CCN1C[C@H](O)[C@H](CNC(=O)c2ccn(CCN(C)C)n2)C1 958077583 WQNYHJMDIAMTMN-HIFRSBDPSA-N 321.425 -0.347 30 20 DBED C#Cc1cncc(C(=O)NC[C@H]2CN(CCOC)C[C@@H]2O)c1 958389605 ISDDPSAKLNWJFO-GJZGRUSLSA-N 303.362 -0.268 30 20 DBED CC#CCN1C[C@H](O)[C@H](CNC(=O)c2ccc(C(N)=O)s2)C1 958477312 XSMMSYURFJNIGN-MNOVXSKESA-N 321.402 -0.107 30 20 DBED Cn1nnc2ccc(C(=O)NC[C@@H]3CN(CC#N)C[C@@H]3O)cc21 958625318 JDDBSHRFUMXAFL-RISCZKNCSA-N 314.349 -0.486 30 20 DBED CN(C(=O)c1ccn(C)n1)[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 958850565 GYRKPGZEHAEGEB-KBPBESRZSA-N 316.361 -0.523 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)Cc2cccnc2)C1 962301106 MTUYPUKZRYDKIN-UHTWSYAYSA-N 302.334 -0.528 30 20 DBED C=CCCN1C[C@H]2[C@H](NC(=O)[C@@H]3CN(C(C)=O)CCO3)[C@H]2C1 962434082 BKQURBINLGPVFC-LJISPDSOSA-N 307.394 -0.144 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1[C@H]2COC[C@H]21 964317239 MPROOGIOPLYLAB-JZRPKSSGSA-N 307.350 -0.618 30 20 DBED Cc1c[nH]nc1C(=O)N[C@H]1COC2(C1)CN(C(=O)[C@H](C)C#N)C2 965689647 MNIWVFBFTZDTBM-MWLCHTKSSA-N 317.349 -0.023 30 20 DBED C=C(C)CN[C@@H]1CCN(C(=O)CN2CCCS2(=O)=O)C1 968854455 MOOAZVDHRDDNNG-GFCCVEGCSA-N 301.412 -0.212 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CN(C)C(=O)N1 969535693 FDJFHHUIGOSUDX-WYUUTHIRSA-N 319.365 -0.629 30 20 DBED O=C(N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O)c1ccc(O)nc1 970531697 UXDSYCUFAVZUIF-OLZOCXBDSA-N 315.329 -0.498 30 20 DBED C#CCCN1CCO[C@]2(CCN(C(=O)[C@@]3(C)CCNC3=O)C2)C1 972548479 JIZQHUPYQGZEHV-DLBZAZTESA-N 319.405 -0.161 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)c1 973995678 YLWPCMVJUBMCAE-YTWAJWBKSA-N 315.333 -0.615 30 20 DBED C#CCN1C[C@H](NC(=O)CN2CCCS2(=O)=O)C(C)(C)C1 974656756 MXWFTGOWMQZBKC-LBPRGKRZSA-N 313.423 -0.518 30 20 DBED Cc1c(C(=O)N2CC[C@@H]3CN(C(=O)[C@H](C)C#N)[C@@H]3C2)nnn1C 974974032 IUIPYUOHVNGQDP-YUSALJHKSA-N 316.365 -0.044 30 20 DBED CC1(C)CN(CC#N)C[C@H]1NC(=O)[C@@H]1CCc2nnnn2CC1 975066047 TXRMMAIHNFHXFV-VXGBXAGGSA-N 317.397 -0.024 30 20 DBED CN(C[C@H]1CCN1C(=O)C#CC1CC1)C(=O)[C@H]1CCC(=O)NC1 977975624 QPECNRNFKZMRAG-UONOGXRCSA-N 317.389 -0.015 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](CN(C)C(=O)c2cn(C)nn2)C1 988289952 ZHAUHERHFKFFMG-QWRGUYRKSA-N 304.354 -0.105 30 20 DBED CC(=O)NCc1cn(C2CN(C(=O)c3ccc(C#N)[nH]3)C2)nn1 994722383 RBXCBQCCPBPULT-UHFFFAOYSA-N 313.321 -0.189 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)[C@H]3CNC(=O)N3)C2)cc1 997335109 PEGHRWCMQMHWFR-CYBMUJFWSA-N 312.329 -0.710 30 20 DBED N#CCN1CC[C@@H](n2cc(CNC(=O)c3ccon3)nn2)C1 999954026 CUYKLQAYOCAPSS-LLVKDONJSA-N 301.310 -0.034 30 20 DBED C[C@@H](C(=O)NC1CN(C(=O)C#CC2CC2)C1)[C@H]1CCC(=O)N1 1000345515 HEXATGGNSONLQP-ZWNOBZJWSA-N 303.362 -0.359 30 20 DBED O=C(C#CC1CC1)N1CCN(C(=O)CCc2cnn[nH]2)CC1 1011110367 WJUAVJDZFJZPSC-UHFFFAOYSA-N 301.350 -0.179 30 20 DBED C#CCOc1ncccc1C(=O)N[C@@H]1CCN([C@H](C)C(N)=O)C1 1016012523 DMFTUVHVHOZLFJ-VXGBXAGGSA-N 316.361 -0.229 30 20 DBED C#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](C)N1C(=O)CCC1=O 1017600458 KLACDINCRKDJCE-UPJWGTAASA-N 303.362 -0.168 30 20 DBED COc1cc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2O)ccn1 1024533312 OHCJZJZNWQTRGU-YUSALJHKSA-N 318.333 -0.449 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)CN2CCC(C)(C)C2)C1 1025688579 OTBWFHIWFDRFSW-YNEHKIRRSA-N 322.409 -0.434 30 20 DBED CN1C(=O)CN(CC(=O)NC2CCC(NCC#N)CC2)C1=O 1026592121 MWUYMXIRWCXIIN-UHFFFAOYSA-N 307.354 -0.579 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)[C@H]3CCNC(=O)C3)C2)C1=O 1030213970 GUPJWWRUOHJTEX-AAEUAGOBSA-N 320.393 -0.900 30 20 DBED N#CCN1C[C@@H]2C[C@H]1CN2C(=O)CCc1nnc(O)nc1O 1032494404 FIKQOHYAKJMPJR-IUCAKERBSA-N 304.310 -0.976 30 20 DBED NC(=O)C(=O)N1C[C@@H]2C[C@H]1CN2CC#Cc1ccc(F)cc1 1032596403 AAPCOEUPRCPOTR-KBPBESRZSA-N 301.321 -0.052 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)Cc2ccnn2C)C1 1039585275 PRQSNLCVFZKSGE-IAQYHMDHSA-N 319.365 -0.798 30 20 DBED C#CCCCC(=O)N1CC[C@](O)(CNC(=O)[C@H](C)CC(N)=O)C1 1040474643 BBEYYOGBEUMHFF-WBMJQRKESA-N 323.393 -0.619 30 20 DBED C=CC(C)(C)C(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2CCNC2=O)C1 1040490440 ISERRRAWHXBHRY-BZNIZROVSA-N 323.393 -0.586 30 20 DBED N#Cc1cnccc1N1C[C@@H](O)[C@H](NC(=O)[C@@]2(F)CCOC2)C1 1041303707 CYDAXRGCPAICLX-UXIGCNINSA-N 320.324 -0.252 30 20 DBED C#CCCCCC(=O)N1CC(O)(CNC(=O)[C@H]2CCOC2)C1 1041874851 WFXZLVCOHWEMMA-ZDUSSCGKSA-N 308.378 -0.094 30 20 DBED COC(=O)[C@H]1C[C@H]1C(=O)NCC1(O)CN(C(=O)C#CC(C)C)C1 1041983566 CLTKLXZEAUCCMU-NEPJUHHUSA-N 322.361 -0.856 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@H]3CCN(CC(N)=O)[C@H]3C2)[nH]1 1042015163 DBIQTHJOXNQQER-MFKMUULPSA-N 301.350 -0.092 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)CC[C@H](C)OC)C1 1042039585 CUORVGCGOJAIPE-LBPRGKRZSA-N 314.382 -0.306 30 20 DBED C#CCNC(=O)CC(=O)NCC1(O)CN(C(=O)C2CCCC2)C1 1042672708 XENNCMLKFIJCPR-UHFFFAOYSA-N 321.377 -0.994 30 20 DBED C=C[C@H](C)[C@@H](C)C(=O)N1CC(O)(CNC(=O)CC(=O)NC)C1 1042741222 IAJUKJBSFVONTO-WDEREUQCSA-N 311.382 -0.730 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(O)CN(C(=O)Cc2ccon2)C1 1042806891 MGILASVDOWQDPA-CQSZACIVSA-N 323.349 -0.766 30 20 DBED Cc1cc(C#N)nc(N[C@@H]2CN(C(=O)CC(N)=O)C[C@H]2C)n1 1043107807 VWTWRILFERDYHA-LDYMZIIASA-N 302.338 -0.209 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)[C@H](F)C(F)(F)F)C1 1043377841 VOSZTXCUKHGFFI-BQBZGAKWSA-N 311.235 -0.264 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)Cc3cc[nH]n3)C2)cn1 1043894215 SPDNFRYRZKEIQM-KGLIPLIRSA-N 312.333 -0.415 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)c2cc(F)c[nH]2)C1 1043929916 QMTWHDKHJJTWKK-SNVBAGLBSA-N 323.324 -0.505 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)CN3CCCC3)C2)nc1 1043971237 DRFHYPQRQINKJK-KGLIPLIRSA-N 315.377 -0.285 30 20 DBED CC#CCCCC(=O)NCC1(O)CN(C(=O)CCN(C)C)C1 1044993831 CUGUIINKAGLYSD-UHFFFAOYSA-N 309.410 -0.179 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)[C@H]2CCC(=O)N2C)C1 1045117259 ZKCVEOOSKRZCQD-GFCCVEGCSA-N 321.377 -0.900 30 20 DBED C=CCCOCC(=O)N1CC(O)(CNC(=O)c2ccncn2)C1 1045174137 MILORANRURDXMD-UHFFFAOYSA-N 320.349 -0.628 30 20 DBED COCCN1C[C@@H](C(=O)NC2(C)CCN(CC#N)CC2)CC1=O 1045455801 MJJKGFCISVMBHZ-ZDUSSCGKSA-N 322.409 -0.024 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(O)(CNC(=O)[C@@H](C)C#N)C1 1045559386 INTDTBZHTSAHKZ-AVGNSLFASA-N 321.377 -0.183 30 20 DBED CN(C)CCC(=O)NCC1(O)CN(C(=O)C#CC(C)(C)C)C1 1045713413 GCBWIQARHLELHZ-UHFFFAOYSA-N 309.410 -0.323 30 20 DBED C#CCN1CC[C@@H](N2CCN(C(=O)[C@@H]3CC(=O)N(C)C3)CC2)C1 1046033775 KQTNWGMXRPRKGM-HUUCEWRRSA-N 318.421 -0.684 30 20 DBED C#CCN1CC[C@@H](N2CCN(C(=O)C[C@H]3CCC(=O)N3)CC2)C1 1046069099 AWIYFFRJCKJAQI-HUUCEWRRSA-N 318.421 -0.493 30 20 DBED C#CCN1CC[C@H](N2CCN(C(=O)Cc3ncc[nH]3)CC2)C1 1046073431 FMPVCEPPVPNJMW-AWEZNQCLSA-N 301.394 -0.196 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(O)(CNC(=O)c2nocc2C)C1 1046559892 JPBHGGVYNMIRSR-CQSZACIVSA-N 323.349 -0.387 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(CCF)c2)C1 1047436734 FOZJPGKTNWYUME-KBPBESRZSA-N 308.357 -0.007 30 20 DBED C#CCN1CCC(C(=O)N(C)[C@H]2CN(CCOC)C[C@@H]2O)CC1 1047638212 HGPIEOZHCPUEQT-HOTGVXAUSA-N 323.437 -0.519 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C)no2)C1 1048218269 HUJZRGIAPRUIGN-RYUDHWBXSA-N 323.349 -0.171 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCC=C)C1 1048510010 FAEVUPUNYMRWKO-STQMWFEESA-N 321.377 -0.878 30 20 DBED C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1nccnc1C(N)=O 1049885850 PRWCPVGZAJJNMA-NEPJUHHUSA-N 313.361 -0.112 30 20 DBED CC#CCN1CCOC[C@H]1CNC(=O)c1cn(C)c(=O)n1C 1051263460 YOGYSEXOBBWJCZ-GFCCVEGCSA-N 306.366 -0.822 30 20 DBED C#CCN1CCN([C@H]2CCN(C(=O)C[C@@H]3CCNC3=O)C2)CC1 1052036504 NTVUJDTWSJZUNE-GJZGRUSLSA-N 318.421 -0.636 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)[C@@H]1C[C@H]1C(=O)OC)CCO2 1053185659 QKMBFFVBEGQTOF-CHWSQXEVSA-N 306.362 -0.268 30 20 DBED COc1nccc(C(=O)N2CCOC3(CN(CC#N)C3)C2)n1 1053336430 ZYJMCELQLCZDAA-UHFFFAOYSA-N 303.322 -0.464 30 20 DBED C=C(C)CN1CC2(C1)CN(C(=O)[C@H]1CC[C@H]1C(N)=O)CCO2 1053373052 LNNMAIJKBBONLM-OLZOCXBDSA-N 307.394 -0.013 30 20 DBED Cn1oc(C(=O)NC[C@H]2CCC3(CN(CC#N)C3)O2)cc1=O 1053594542 OAPOEVHDZKZUSN-SNVBAGLBSA-N 306.322 -0.535 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)c3cnc4nccn4c3)CO2)C1 1053871217 ZFSBGFSDZQFEBD-GFCCVEGCSA-N 312.333 -0.174 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)[C@@H]3CCC(=O)N3C)CO2)C1 1053897585 STIPWVASLYILIH-OLZOCXBDSA-N 305.378 -0.410 30 20 DBED NC(=O)C(=O)NC[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC1CC1 1054504472 JBVKECINHBCFQJ-CLLJXQQHSA-N 303.362 -0.229 30 20 DBED Cn1cc(C(=O)NC2[C@H]3CN(c4cnc(C#N)cn4)C[C@H]23)cn1 1056134633 JMLDUHVDQGNEBN-RYUDHWBXSA-N 309.333 -0.054 30 20 DBED CN1CC[C@H](C(=O)NC2[C@@H]3CN(c4ccnc(C#N)n4)C[C@@H]23)C1 1056229498 XZBMWCNTXOJIAJ-QJPTWQEYSA-N 312.377 -0.149 30 20 DBED N#Cc1cncc(N[C@@H]2CCN(C(=O)[C@@H]3CCC(=O)N3)C2)n1 1056674344 GXHJTJMAPHHPLW-KOLCDFICSA-N 300.322 -0.360 30 20 DBED N#Cc1cncc(N[C@@H]2CCN(C(=O)CCn3cnnn3)C2)n1 1056686384 GKKVWKFLVJJKDO-SNVBAGLBSA-N 313.325 -0.562 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)COCCOC 1057439602 TVHQHGODPNZTQL-UHFFFAOYSA-N 314.382 -0.610 30 20 DBED O=C(NCCN(CCO)C(=O)C#CC1CC1)c1cnnc(O)c1 1057536178 NDZJJDXSKCMTNY-UHFFFAOYSA-N 318.333 -0.854 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1CCCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 1057760033 FYWWZHJMTQTHQC-XQQFMLRXSA-N 313.361 -0.101 30 20 DBED C=CC(C)(C)C(=O)N(CCO)CCNC(=O)CC(=O)NCC 1058302203 KDQRYFSZBSSZEN-UHFFFAOYSA-N 313.398 -0.338 30 20 DBED CCc1nc[nH]c1C(=O)N(CCO)CCNC(=O)C#CC1CC1 1058362327 UOOJGBLBXSZFSR-UHFFFAOYSA-N 318.377 -0.064 30 20 DBED CN1C[C@@H](C(=O)N[C@H]2CCN(c3ccc(C#N)cn3)C2)NC1=O 1058504224 JVYCNQWSZGUVML-RYUDHWBXSA-N 314.349 -0.328 30 20 DBED Cc1cc(C#N)nc(N2CC[C@H](NC(=O)[C@H]3CCNC3=O)C2)n1 1058507405 FABHRLZCVPARIX-JQWIXIFHSA-N 314.349 -0.512 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)CC1=CCOCC1 1058656553 GBVWJHOOCQQHOB-LBPRGKRZSA-N 309.366 -0.180 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N 1058661396 VGNKTFGEUSIQKR-KBPBESRZSA-N 320.393 -0.819 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H]1CCN(C(=O)[C@H](C)C#N)C1 1060288820 GACPGWQEOPNLNK-OLZOCXBDSA-N 318.377 -0.360 30 20 DBED N#Cc1cnc(NC[C@H]2CCN(C(=O)Cn3ncnn3)C2)cn1 1060928409 WRGJJAVCEAKFLO-SNVBAGLBSA-N 313.325 -0.705 30 20 DBED C=CCCC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1CCNC1=O 1061402923 ZNQGTQCTDQRNPT-NWDGAFQWSA-N 309.366 -0.568 30 20 DBED C[C@H](CC(N)=O)C(=O)N1CCOC[C@@H]1CNC(=O)C#CC1CC1 1061573785 YBVCJJWRWLSKRM-YPMHNXCESA-N 321.377 -0.745 30 20 DBED C=C[C@](C)(O)CC(=O)NC1(CNC(=O)c2cnn[nH]2)CCC1 1063582821 ZVLPMAAPNMJNPX-ZDUSSCGKSA-N 307.354 -0.100 30 20 DBED N#Cc1nccc(N2CCO[C@@H](CNC(=O)c3cnon3)C2)n1 1063639813 UOLIFBRDJHNYRR-VIFPVBQESA-N 315.293 -0.634 30 20 DBED N#Cc1cnc(NC[C@H]2CCCC[C@@H]2NC(=O)C(N)=O)cn1 1064188024 KLXSLBZFVDWPGS-KOLCDFICSA-N 302.338 -0.080 30 20 DBED CC(C)(C)C#CC(=O)NC[C@H]1CN(C(=O)CC(N)=O)CCO1 1064998278 DSBWJKWANDYQIP-NSHDSACASA-N 309.366 -0.745 30 20 DBED C#CCO[C@H](C)C(=O)N1CCO[C@H](CNC(=O)c2ncc[nH]2)C1 1065153782 CFRXZEIHCZEGKA-VXGBXAGGSA-N 320.349 -0.595 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)C(C)(C)C(N)=O)CCO1 1065263138 SGYLKNLACYIGGV-NSHDSACASA-N 311.382 -0.192 30 20 DBED C[C@@]1(NC(=O)[C@@H]2CNC(=O)N2)CCN(c2ccnc(C#N)n2)C1 1065326308 OCXYXTCKQMEVGF-LKFCYVNXSA-N 315.337 -0.885 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)CCO1 1065400328 CGYOJMAQPPCUQU-OLZOCXBDSA-N 321.377 -0.732 30 20 DBED CN(C(=O)c1nc[nH]n1)[C@H]1CN(c2ccc(C#N)cn2)C[C@@H]1O 1065599420 MATVQMHZFGMEIB-QWRGUYRKSA-N 313.321 -0.607 30 20 DBED C=C(C)C(C)(C)C(=O)N1CC2(CC[C@H](CNC(=O)C(N)=O)O2)C1 1068618419 QQLSDMWCUJBAKC-LLVKDONJSA-N 323.393 -0.050 30 20 DBED C[C@@H]1C[C@H](N=c2cc[nH]c(C#N)n2)CN1C(=O)c1ncn(C)n1 1069086834 MEPZYXWQUYQPQX-ZJUUUORDSA-N 312.337 -0.386 30 20 DBED C#CCN1CC[C@@H](c2n[nH]cc2CNC(=O)c2nnn(C)n2)C1 1070419933 LSFCGFNIIXKMCF-SNVBAGLBSA-N 314.353 -0.714 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)c2cc[n+]([O-])cc2)CC1 1070936838 WAWLIVCJFKAZOL-UHFFFAOYSA-N 316.361 -0.783 30 20 DBED N#CCN1CCNC(=O)CCN(C(=O)C[C@@H]2CCCOC2)CC1 1071021846 JCWCXVOSOWBDCY-AWEZNQCLSA-N 322.409 -0.023 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CCCN(C(=O)C2(C(N)=O)CC2)C1 1071217100 DCBHMAAUOPPJRC-NWDGAFQWSA-N 321.377 -0.603 30 20 DBED C#CCN1CC[C@@]2(C1)CN(C(=O)Cc1nc[nH]n1)C[C@@H](C)O2 1071231774 USUYOCRNPVWILZ-IUODEOHRSA-N 303.366 -0.328 30 20 DBED C#CCCCC(=O)N1C[C@H](C)[C@H](NC(=O)C2(NC(N)=O)CC2)C1 1071998112 CSSUVAQKBNBVKB-NWDGAFQWSA-N 320.393 -0.046 30 20 DBED C=CCCN1CCCO[C@@H](CNC(=O)[C@@H]2CN(C)C(=O)N2)C1 1073726683 PCEGZRQTRAFSNF-STQMWFEESA-N 310.398 -0.207 30 20 DBED C=C(Cl)CN1CCCO[C@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 1073752499 YKXXVDHSZMFPQX-MNOVXSKESA-N 316.789 -0.373 30 20 DBED CC(C)C#CC(=O)N[C@H]1CCN(C(=O)CNC(N)=O)C[C@@H]1C 1073932377 FOIKARGNTBQNGT-RYUDHWBXSA-N 308.382 -0.333 30 20 DBED Cn1cc(C(=O)N2CC[C@H]3OCCN(CC#N)[C@H]3C2)ncc1=O 1074302120 LLPNBAFUKBYYFZ-QWHCGFSZSA-N 317.349 -0.781 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CCN(C(=O)c2csnn2)CC1 1074648649 DCBRXFJBUOJTIN-VIFPVBQESA-N 323.378 -0.219 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCN(C(=O)c2nc[nH]n2)[C@H](C)C1 1074990276 DBSHCWMGEXEBAU-VXGBXAGGSA-N 319.365 -0.046 30 20 DBED C[C@H](C(N)=O)N1C[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)[C@@H]2C1 1075658910 ZNCVIUIGUNQCFF-SUZMYJTESA-N 301.350 -0.094 30 20 DBED C=CCOCC(=O)NCC[C@H](C)NC(=O)[C@H]1CN(C)C(=O)N1 1075921097 ILOJKBXIAUIQEF-WDEREUQCSA-N 312.370 -0.776 30 20 DBED CC(C)C#CC(=O)NCC[C@H](C)NC(=O)CN1CCOCC1=O 1076413507 BMMPAJRGVHXDFX-ZDUSSCGKSA-N 323.393 -0.484 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC(=O)NC2)C1 1077280713 IXZMCUPLYHTXDX-HBNTYKKESA-N 301.774 -0.574 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCCS2(=O)=O)C1 1077446289 BLKSKWPUGMHQOV-QJPTWQEYSA-N 302.396 -0.699 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2cc(Cn3cccn3)on2)C1 1077972835 UIZCQLJPLDLBDQ-ZIAGYGMSSA-N 315.333 -0.673 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)Cn2cccn2)C1 1079305881 SBDMAQTWTMDMSU-ZDUSSCGKSA-N 318.377 -0.019 30 20 DBED CCN(C(=O)C#CC1CC1)C1CN(C(=O)C2CS(=O)(=O)C2)C1 1079739246 MRZFEPQUCRORQX-UHFFFAOYSA-N 324.402 -0.496 30 20 DBED C=CCN1CC[C@@H](N2C[C@@H](NC(=O)c3cnon3)[C@H](C)C2)C1=O 1080648437 LOVXVWIDMOONNW-RAIGVLPGSA-N 319.365 -0.093 30 20 DBED CC[C@@H](C(=O)N1CCC(CO)(NC(=O)[C@H](C)C#N)CC1)N(C)C 1080981974 PXESELAYAGJBLM-OLZOCXBDSA-N 324.425 -0.044 30 20 DBED C[C@@H](C#N)C(=O)NC1(CO)CCN(C(=O)Cc2cnoc2)CC1 1080983061 DDCUIYKEIANCLP-NSHDSACASA-N 320.349 -0.154 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)Cc2cnn(C)c2)C[C@@H]1O 1081332067 ANLBHLPMYSOIJU-KBPBESRZSA-N 320.393 -0.136 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)CCSC)C[C@H]1O 1081345071 YDKWLKRHYAAPHW-VXGBXAGGSA-N 316.423 -0.122 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H]1CN(C(=O)CCC=C)C[C@@H]1O 1081420172 UZUHQRIOASCOAH-OLZOCXBDSA-N 321.377 -0.972 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1O 1081441243 GDNUXQDOEWCBCS-DGCLKSJQSA-N 319.365 -0.832 30 20 DBED CCN(C)CCC(=O)N1C[C@@H](O)[C@H](CNC(=O)C#CC2CC2)C1 1081471417 NCGYIFZYKFMNNZ-HUUCEWRRSA-N 321.421 -0.323 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cnn(C)n2)C1 1081600637 IOJJRJXRJYLTLK-WCQYABFASA-N 319.365 -0.976 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCCC[C@H]1CNC(=O)CC(N)=O 1082137524 VOGZOTZYMUHFKM-RYUDHWBXSA-N 311.382 -0.050 30 20 DBED COCCN1C[C@H](C(=O)N2C[C@@H](NCC#N)[C@H](C)C2)CC1=O 1082542021 UQFDLEDIROZYQF-JHJVBQTASA-N 308.382 -0.559 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2COCCN2CC)C1 1083589441 HWETYCKPNVMSOL-AGIUHOORSA-N 317.817 -0.379 30 20 DBED C#CCCN1CC[C@H](OCC2CCN(C(=O)C(N)=O)CC2)C1 1088237143 MAYAKMZXKKXBMG-AWEZNQCLSA-N 307.394 -0.176 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2c(OC)ccnc2OC)[C@H](O)C1 1090424101 WHOFASGMQKIQNC-VXGBXAGGSA-N 319.361 -0.103 30 20 DBED C#CCN1CC[C@@H](NC(=O)Cn2c(C)csc2=O)[C@@H](O)C1 1090797174 VGGMGTXBPSSOAF-NEPJUHHUSA-N 309.391 -0.597 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@H]1OC 1090877879 XLKJKSZWULVQCQ-DGCLKSJQSA-N 317.349 -0.591 30 20 DBED N#Cc1c[nH]ccc1=NC1CC(CNC(=O)Cn2cnnn2)C1 1092185858 CZVOTKBPMRTIIW-UHFFFAOYSA-N 312.337 -0.631 30 20 DBED CNC(=O)NCC(=O)N1CCN(c2nc(C)cc(C#N)n2)CC1 1093202482 XBFPQJJVSMAJJJ-UHFFFAOYSA-N 317.353 -0.766 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1[C@@H]2CN(c3ccnc(C)n3)C[C@@H]21 1093266546 PIJGTWNMSPEJDI-ATCWAGBWSA-N 313.361 -0.525 30 20 DBED CC(C)(C(=O)NCCNc1cnc(C#N)cn1)S(C)(=O)=O 1093863799 ZMIFPTQLLICLFG-UHFFFAOYSA-N 311.367 -0.300 30 20 DBED Cc1cc(C#N)nc(NCCNC(=O)CC2CS(=O)(=O)C2)n1 1093963704 UPLIYCKBITXMRA-UHFFFAOYSA-N 323.378 -0.381 30 20 DBED CO[C@H](C(=O)NCCNc1ccc(C#N)nn1)c1cnn(C)c1 1094012215 ZXWGLWHGYVWFFZ-ZDUSSCGKSA-N 315.337 -0.002 30 20 DBED N#Cc1nc(=NCCNC(=O)c2cnc3[nH]nnc3c2)cc[nH]1 1094211693 KZXJEEXTNYQFBV-UHFFFAOYSA-N 309.293 -0.722 30 20 DBED Cn1oc(C(=O)NCCCNc2nccnc2C#N)cc1=O 1094409963 JVRYXYCUYYEYQK-UHFFFAOYSA-N 302.294 -0.128 30 20 DBED C[C@@]1(C(=O)NCCCNc2nccnc2C#N)CNC(=O)C1 1094670700 LFSQDWVTUXDOAD-AWEZNQCLSA-N 302.338 -0.207 30 20 DBED Cc1cc(C#N)nc(N2CCC[C@@H](NC(=O)CNC(N)=O)C2)n1 1096137373 BJPVSIBQQQQMNX-SNVBAGLBSA-N 317.353 -0.590 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CCCN(c2ccc3nnnn3n2)C1 1096151334 JARGTXHGCVNBFS-VHSXEESVSA-N 300.326 -0.236 30 20 DBED N#Cc1nccnc1N[C@@H](CNC(=O)[C@@H]1CCNC1=O)C1CC1 1096784203 XHYDLPXCBWNLQR-PWSUYJOCSA-N 314.349 -0.209 30 20 DBED C[C@H](CNC(=O)COC[C@@H]1CCCO1)N=c1cc[nH]c(C#N)n1 1097927714 GBPJLUXLLCGPTJ-NEPJUHHUSA-N 319.365 -0.118 30 20 DBED C=CCOCC(=O)N1CC[C@H](n2cc(CNCCOC)nn2)C1 1098636656 CPSQTLLVFYCYAN-AWEZNQCLSA-N 323.397 -0.010 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)Cn2cccn2)[C@H](O)C1 1099663135 JRQJTNSIDGSKCV-ZIAGYGMSSA-N 308.382 -0.363 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)Cc2cccnc2)[C@@H](O)C1 1099774446 AURJDYVNLMEQLP-CVEARBPZSA-N 317.389 -0.175 30 20 DBED CN(C(=O)CN1CC[C@@H](NC(=O)C#CC2CC2)[C@@H](O)C1)C1CC1 1099823664 HGCWMWNWCZBJNR-CABCVRRESA-N 319.405 -0.428 30 20 DBED C#CCOCCC(=O)N[C@H]1CCN(CCn2cccn2)C[C@H]1O 1099829867 JLPAZHDBFBGBAL-LSDHHAIUSA-N 320.393 -0.526 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CCc2ccncn2)[C@H](O)C1 1099856014 QMGLIXBKYMSODJ-HUUCEWRRSA-N 302.378 -0.016 30 20 DBED CN(CCNC(=O)Cn1cncn1)c1ncc(C#N)cc1F 1100104636 POXIAGMAUCDIKK-UHFFFAOYSA-N 303.301 -0.064 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2ccn(C)n2)[C@H](O)C1 1100110019 OEGDOHPZYQSUFV-TZMCWYRMSA-N 306.366 -0.765 30 20 DBED CN1CC[C@@H](CC(=O)NCCN(C)c2ccnc(C#N)n2)C1=O 1100194602 BWCPQLQYQHGIHC-NSHDSACASA-N 316.365 -0.231 30 20 DBED CCN(CCNC(=O)CCn1ccnn1)c1cncc(C#N)n1 1100521430 FPKPRMSIWCLVDT-UHFFFAOYSA-N 314.353 -0.027 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H]1CCN(c2nc(C)ns2)C1 1100974104 OEDOWPDMYJISQA-NSHDSACASA-N 321.406 -0.071 30 20 DBED CCNC(=O)CC(=O)NC[C@H]1CCN(c2nccnc2C#N)C1 1100975753 MYCRGWSRDISYQZ-LLVKDONJSA-N 316.365 -0.183 30 20 DBED COCCC(=O)N1C[C@H]2CN(CC(=O)NCC#N)C[C@@]2(C)C1 1101102736 RXYYYOJAYOVGCR-DOMZBBRYSA-N 308.382 -0.557 30 20 DBED CCCN(CCNC(=O)Cn1ncnn1)c1cnc(C#N)cn1 1101191228 XDCDSZXLQWOHDA-UHFFFAOYSA-N 315.341 -0.632 30 20 DBED CNC(=O)CC(=O)N1CC[C@H](CN(C)c2cncc(C#N)n2)C1 1102438405 PGMXYLYPXWWYRL-LLVKDONJSA-N 316.365 -0.231 30 20 DBED CCNC(=O)CC(=O)N(C)[C@H]1CCN(c2nccnc2C#N)C1 1102695203 BGGWZLMXFMJLMD-NSHDSACASA-N 316.365 -0.088 30 20 DBED CC[C@@H](CNC(=O)CCNC(N)=O)Nc1cncc(C#N)n1 1103092413 VRKOCQWSXIJMSY-VIFPVBQESA-N 305.342 -0.287 30 20 DBED C[C@H](CNC(=O)c1cn(C)nn1)CNc1nccnc1C#N 1103927258 CYIXBBYRVAWODH-VIFPVBQESA-N 300.326 -0.045 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](C)[C@H](CCNCc2nnnn2C)C1 1104004830 MLSYXBWHHNBSHX-QJPTWQEYSA-N 305.386 -0.056 30 20 DBED CCC(=O)N[C@H](C)C(=O)NC[C@@H](C)CN=c1cc[nH]c(C#N)n1 1104247975 QSKQFNHJLZQWNP-WDEREUQCSA-N 318.381 -0.151 30 20 DBED C=CCNC(=O)[C@H](C)NCC[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C 1104616559 BIEUGRSHWPPPBM-GRYCIOLGSA-N 310.398 -0.763 30 20 DBED C=CCNCc1cn(C2CN(C(=O)[C@H]3CC(=O)N(C)C3)C2)nn1 1105256537 IHAFABYWRONYIY-NSHDSACASA-N 318.381 -0.585 30 20 DBED C=CCCNCc1cn(C2CN(C(=O)[C@H]3CCNC3=O)C2)nn1 1105297360 MAUTZPUBOONLDM-ZDUSSCGKSA-N 318.381 -0.537 30 20 DBED CC#CCNCc1cn(C2CN(C(=O)[C@@]3(F)CCOC3)C2)nn1 1105312207 FRFDQVFQNUVOJK-OAHLLOKOSA-N 321.356 -0.097 30 20 DBED CO[C@H](C(=O)N1CC(n2cc(CNCC#N)nn2)C1)C(C)C 1105317285 QKFCFFIWYRLYCB-ZDUSSCGKSA-N 306.370 -0.054 30 20 DBED C#CCNCc1cn(C2CN(C(=O)[C@H]3CN(C)C[C@H]3C)C2)nn1 1105327010 OMOGAPKRABVKDR-DOMZBBRYSA-N 316.409 -0.418 30 20 DBED CN(CCN(C)c1cncc(C#N)n1)C(=O)[C@@H]1COCCO1 1105339218 MHDHLARTAXUJIS-LBPRGKRZSA-N 305.338 -0.342 30 20 DBED Cc1nc(CC(=O)N(C)CCN(C)c2nccnc2C#N)n[nH]1 1105388595 SVNKTUPJOVFDPZ-UHFFFAOYSA-N 314.353 -0.088 30 20 DBED Cc1cc(C(=O)NC[C@@H](O)CNc2ccc(C#N)nn2)n[nH]1 1105725318 JHXCPCZSWZLQBI-JTQLQIEISA-N 301.310 -0.417 30 20 DBED CCCC(=O)NCC(=O)NC[C@@H](O)CN=c1cc[nH]cc1C#N 1105727716 SGPSOVLXEPIFKW-LBPRGKRZSA-N 319.365 -0.820 30 20 DBED Cc1nn(C)cc1C(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1 1105764134 XLJNLHNKESJJQL-JTQLQIEISA-N 315.337 -0.985 30 20 DBED Cc1c[nH]nc1C(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1 1105825901 SZUKRMIVRARQCQ-VIFPVBQESA-N 301.310 -0.996 30 20 DBED CN1CCC(C(=O)NC[C@H](O)CN=c2cc[nH]cc2C#N)CC1 1105881998 BWURBOKAOUAXNV-CQSZACIVSA-N 317.393 -0.394 30 20 DBED C[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1CNCC(=O)N1CCOCC1 1105946036 JMXSCMXIOZOPPA-MGPQQGTHSA-N 322.409 -0.311 30 20 DBED N#Cc1cnc(NC[C@@H](O)CNC(=O)c2cnnc(O)c2)cn1 1105993203 IDJSSUSDQURPFU-SNVBAGLBSA-N 315.293 -0.953 30 20 DBED CCC(=O)N[C@@H](C)C(=O)NC[C@@H](O)CNc1nccnc1C#N 1106141191 YLLKZMQUIIZGTE-UWVGGRQHSA-N 320.353 -0.848 30 20 DBED C=C(C)CCN1CC(n2cc(CNC(=O)CC(=O)NC)nn2)C1 1107164243 XDXIIYYCFBPGMK-UHFFFAOYSA-N 320.397 -0.147 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)c1cccn(C)c1=O 1107856492 UOAAUDRQCYASFZ-SNVBAGLBSA-N 312.333 -0.301 30 20 DBED CC(C)C#CC(=O)NC[C@@]1(C)CN(Cc2nc(O)n[nH]2)CCO1 1107926845 OJPWTPPBMQKNEF-HNNXBMFYSA-N 321.381 -0.123 30 20 DBED Cc1ccn(CC(=O)NC[C@@]2(C)CN(CC#N)CCO2)c(=O)c1 1108250302 QFSSNDNINMUAEU-INIZCTEOSA-N 318.377 -0.113 30 20 DBED C[C@@H](CNc1ccc(C#N)nc1)NC(=O)CN1CC(=O)NC1=O 1108482825 FPUJEUFDAHQIMT-VIFPVBQESA-N 316.321 -0.578 30 20 DBED C[C@@H](CN(C)c1cnc(C#N)cn1)NC(=O)C(C)(C)C(N)=O 1109125274 OSEBMWGCCOLYAH-VIFPVBQESA-N 304.354 -0.199 30 20 DBED CN(CCCNc1nccnc1C#N)C(=O)CS(C)(=O)=O 1109381260 NKVCRNWYJHRCCE-UHFFFAOYSA-N 311.367 -0.347 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H](CCC)S(N)(=O)=O 1109560900 XDXCIWRKEYADCE-VOAKCMCISA-N 313.423 -0.202 30 20 DBED CN(CCCNc1cnc(C#N)cn1)C(=O)C1(C(N)=O)CC1 1109613232 QZOVEZIWLCFDKY-UHFFFAOYSA-N 302.338 -0.126 30 20 DBED CNC(=O)NCC(=O)N(C)CCCNc1nccnc1C#N 1109655843 PONVHCBUHRNZIF-UHFFFAOYSA-N 305.342 -0.462 30 20 DBED CNC(=O)CC(=O)N(C)[C@H]1CN(c2ccncc2C#N)C[C@@H]1O 1111180319 UNVSGAIWQBTVNI-STQMWFEESA-N 317.349 -0.903 30 20 DBED C[C@@H]1CN(C(=O)CNC(N)=O)C[C@@H]1Nc1cnc(C#N)cn1 1112306970 PKCAZKXTULNJLG-SCZZXKLOSA-N 303.326 -0.725 30 20 DBED C#CCOCCC(=O)N1CCN(C[C@H]2CCc3ncnn32)CC1 1112845068 SFRFHUPZAPPVNW-CQSZACIVSA-N 317.393 -0.051 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2c[nH]nc2CCC)CC1 1113057130 FBKLVSSJRJSGGH-UHFFFAOYSA-N 317.393 -0.131 30 20 DBED C[C@H](NC(=O)CCc1cnn[nH]1)[C@@H](C)N=c1cc[nH]c(C#N)n1 1113308564 FNXQWMVMSGROKK-ZJUUUORDSA-N 314.353 -0.174 30 20 DBED COCC#CCN1CCN(C(=O)COC[C@H]2CCOC2)CC1 1113399150 RXEKKLAPDKPQCY-HNNXBMFYSA-N 310.394 -0.167 30 20 DBED COCC#CCN1CCN(C(=O)c2cnc(OC)nc2)CC1 1113489627 HJMAAWUDJDZCGS-UHFFFAOYSA-N 304.350 -0.107 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)CCOCC3CC3)[C@H]2C1 1114275542 HRVMONFSZQKMNP-KBPBESRZSA-N 319.405 -0.401 30 20 DBED C=CCCN1C[C@H]2C(NC(=O)[C@@H](C)NS(=O)(=O)CC)[C@@H]2C1 1114311925 WVWIIOXVTYXTCO-IJLUTSLNSA-N 315.439 -0.063 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)Cc3cnoc3)[C@H]2C1 1114725103 YMDBXFWLKBKREP-JYAVWHMHSA-N 302.334 -0.987 30 20 DBED CNC(=O)NCC(=O)N[C@H]1C[C@H](CN=c2cc[nH]cc2C#N)C1 1114820814 IWYXEWRFLGYWSM-UMSPYCQHSA-N 316.365 -0.389 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)c3ccnc(C)n3)[C@@H]2C1 1115248028 PIOFZTKIOXSGTI-VXGBXAGGSA-N 315.377 -0.253 30 20 DBED CNC(=O)Cn1nc(NC(=O)C(=O)N(C)[C@@H](C)CC#N)cc1C 1116727425 QTDXYQBFYJSDOR-VIFPVBQESA-N 320.353 -0.363 30 20 DBED CN1CCC[C@@H]1C(=O)NC[C@H](CO)Nc1cnc(C#N)cn1 1121242837 ROQFWUDAAIUQFN-VXGBXAGGSA-N 304.354 -0.669 30 20 DBED CCn1ccc(C(=O)NC[C@@H](CO)Nc2cncc(C#N)n2)n1 1122053426 XSWYCHMDPHMFDN-NSHDSACASA-N 315.337 -0.233 30 20 DBED CN(C)CCCC(=O)NC[C@H](CO)Nc1cncc(C#N)n1 1122417343 VRMDICWVQRILRW-GFCCVEGCSA-N 306.370 -0.421 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)c1cnn(C)c1 1123348330 VPVCLMIHTIQNES-UHFFFAOYSA-N 306.370 -0.498 30 20 DBED C=CCO[C@@H](C)C(=O)N(C)C[C@@H](O)CN=c1cc[nH]c(C#N)n1 1124385849 LBAPYVKVGKMQIT-RYUDHWBXSA-N 319.365 -0.408 30 20 DBED CCOCC(=O)NCCN(CCOC)c1ccnc(C#N)n1 1126187147 KOUFCPFRJXYNLR-UHFFFAOYSA-N 307.354 -0.046 30 20 DBED C#CCO[C@H](C)C(=O)NCCNCc1nsc(N(C)C)n1 1127039068 BBRUNUSXPBAJEH-SNVBAGLBSA-N 311.411 -0.152 30 20 DBED CCOCCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H](C)C#N)C1 1128834688 PCCWPYNRNKJLNM-XQQFMLRXSA-N 306.370 -0.184 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)COCCOC)C1 1128834711 QIQAKAVAKXWRGK-OLZOCXBDSA-N 309.370 -0.531 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)[C@@H](C)OC)C[C@@H]1n1ccnn1 1129647095 OZSKNIVMSUOOOU-MCIONIFRSA-N 321.381 -0.696 30 20 DBED COCC[C@@H](C)C(=O)N1C[C@H](n2ccnn2)[C@H](NCC#N)C1 1130129391 FWMKDZHXYJUVSY-UPJWGTAASA-N 306.370 -0.184 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cc(OC)nc(OC)c1 1130841441 VMHMLXVMOWUNRB-UHFFFAOYSA-N 320.349 -0.832 30 20 DBED C=CCCN1C[C@H]2C[C@H]3CN(C(=O)CNC(=O)NC)C[C@@]3(C1)O2 1131237247 FYDAPIRMWAZSHE-WOSRLPQWSA-N 322.409 -0.207 30 20 DBED C=CCN1C[C@H]2C[C@@H]3CN(C(=O)[C@@H](C)CC(N)=O)C[C@@]3(C1)O2 1131252444 RWODPHUQPFNWFZ-VPWBDBDCSA-N 307.394 -0.014 30 20 DBED C=CCCC(=O)N[C@H](C)C[C@@H](C)NCC(=O)N1CCNC(=O)C1 1133888377 IYYITURWOFYNIG-CHWSQXEVSA-N 324.425 -0.216 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCCNC[C@@H](O)COCCOC 1134053531 YDBNUHNCHKPCNK-MCIONIFRSA-N 316.398 -0.693 30 20 DBED C=CCN[C@@H](C)C[C@H](C)NC(=O)Cn1ncn2nccc2c1=O 1135614379 RWUMDOHUASQEML-RYUDHWBXSA-N 318.381 -0.050 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)C[C@H](OC)C(F)(F)F 1146924844 KJYOUYOZMWLUDA-ZJUUUORDSA-N 323.315 -0.203 30 20 DBED CCCCn1ncc(C(=O)NCCNCC(=O)NCC#N)c1C 1147215845 GQHKKBNGGMOMHN-UHFFFAOYSA-N 320.397 -0.049 30 20 DBED CC#CCN1CCCO[C@H](CNC(=O)CCn2cncn2)C1 1149188829 KRXNPZOEWNBYJU-CQSZACIVSA-N 305.382 -0.101 30 20 DBED C=CCCN1CCCO[C@@H](CNC(=O)CN2C(=O)CNC2=O)C1 1150685813 SGVIIDNOXMAFBL-LBPRGKRZSA-N 324.381 -0.679 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)c1cc[n+]([O-])cc1 1154386124 IQKRPAWDWMJKDQ-LBPRGKRZSA-N 304.350 -0.833 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)c1cnc(C)n1C 1154844538 MQWVJNSPPBBVLC-GFCCVEGCSA-N 319.409 -0.082 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@@H]1CC(=O)N(CC)C1 1159270646 ZBHQOCBQAZYERV-GFCCVEGCSA-N 310.398 -0.747 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCCNCC(=O)N1CCC1 1160192061 XFTKAYTZJKHKEO-AWEZNQCLSA-N 306.410 -0.588 30 20 DBED C#CCO[C@@H](C)C(=O)NCCC1(CN[C@@H]2CCNC2=O)CC1 1164505273 WADKYVXIQKLGSS-QWHCGFSZSA-N 307.394 -0.211 30 20 DBED N#CCNC(=O)CNCCCNC(=O)c1ocnc1C(F)F 1166805932 RGKAPGASABFUFN-UHFFFAOYSA-N 315.280 -0.039 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)C2(C(=O)NC)CC2)C1=O 1168269366 MNBOWQSDSRTKOX-LBPRGKRZSA-N 322.409 -0.605 30 20 DBED CCOCCOCC(=O)N1CC[C@@H]2OCCN(CC#N)[C@@H]2C1 1177157527 SJDUETDNPWJDGX-KGLIPLIRSA-N 311.382 -0.135 30 20 DBED CC#CCN[C@H]1CCN(C(=O)[C@@H]2CCN(C)S2(=O)=O)[C@H]1C 1179692489 RFHAAPWZGZBWOY-AVGNSLFASA-N 313.423 -0.377 30 20 DBED C#CCOCCC(=O)N1C[C@@H](C)[C@](C)(CNCC(=O)NC)C1 1181447701 CXMKBJKSUUPSFL-CZUORRHYSA-N 309.410 -0.154 30 20 DBED COCCC(=O)N1CC[C@H](CNCC(=O)NCC#N)[C@H](C)C1 1183678208 LZUIHSJSRSGTMA-CHWSQXEVSA-N 310.398 -0.263 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)C(C)(C)CNC(C)=O)C1 1186268447 AMOBCRDSMAFHKN-CQSZACIVSA-N 309.410 -0.011 30 20 DBED CO[C@H](C)CCC(=O)N1CC[C@H]2CN(CC(=O)NCC#N)C[C@H]21 1187613265 FPXICHHLQUGJRL-HZSPNIEDSA-N 322.409 -0.026 30 20 DBED C=CCOCCN[C@@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 1187887562 FSORGYBHOVQDRE-NEPJUHHUSA-N 317.411 -0.929 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H](C)C2CCOCC2)C1 1188482538 GOAWACHXMSBTAC-UKRRQHHQSA-N 321.421 -0.011 30 20 DBED CN(CC(=O)NCC#N)[C@@H]1CCN(C(=O)c2ncccc2O)C1 1189770406 UAGDCYISOKVQPC-LLVKDONJSA-N 317.349 -0.427 30 20 DBED C=CCN1C[C@@H]2CCN(C(=O)CCS(=O)(=O)N(C)C)[C@@H]2C1 1190311427 CITYATNVTUZOLT-QWHCGFSZSA-N 315.439 -0.013 30 20 DBED COCC(=O)N[C@@H]1CN(Cc2cc(C#N)ccc2OC)C[C@H]1O 1190588247 MGDZLVMCQAJCML-ZIAGYGMSSA-N 319.361 -0.125 30 20 DBED CC#CCN(C)[C@H]1CCN(C(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 1191490929 RAVHLAGTDYGUJM-JSGCOSHPSA-N 315.377 -0.079 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CN(Cc2nnc(C3CC3)n2C)C[C@H]1O 1191853930 HODJXKKUZXTLSH-MVWJERBFSA-N 318.381 -0.487 30 20 DBED CN1CCC(C(=O)N2CC[C@H](N(C)CC(=O)NCC#N)C2)CC1 1192135143 QFFZJVRGHKCWFR-AWEZNQCLSA-N 321.425 -0.499 30 20 DBED CN(CC(=O)NCC#N)[C@H]1CCN(C(=O)Cc2cnc[nH]2)C1 1192551855 UQAVLRIJBUKYKR-LBPRGKRZSA-N 304.354 -0.875 30 20 DBED CCN(CC)C(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)C#CC2CC2)C1 1192861868 HEEOCYQBAJELNG-BPLDGKMQSA-N 321.421 -0.182 30 20 DBED C#CCC1(C(=O)N[C@@H]2CN(Cc3cnnn3C)C[C@H]2O)CCC1 1193685280 JSCZSEILUWRAEO-ZIAGYGMSSA-N 317.393 -0.330 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)CN2CC[C@H](C)C2)C1 1196169086 NURTWGWCNYEZRB-RRFJBIMHSA-N 311.426 -0.308 30 20 DBED C[C@H](CC(C)(C)C)C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1O 1196716528 HNZLQCPFHLYMCN-JHJVBQTASA-N 324.425 -0.140 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)c2oncc2C)C1 1197433077 FDBBHSOFSWTFJU-QJPTWQEYSA-N 322.365 -0.551 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@H](c2cccnc2)N(C)C)C1 1199162864 AOPWGOCPZNLLDD-OAGGEKHMSA-N 316.405 -0.131 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H](NC(C)=O)C(C)(C)C)C1 1199507021 ZYTVBQMPSDMBFJ-MGPQQGTHSA-N 309.410 -0.278 30 20 DBED COCC#CCNC[C@H]1CN(C(=O)Cc2cc[nH]n2)CCCO1 1200164969 MIVORZPCYFMSQG-HNNXBMFYSA-N 320.393 -0.191 30 20 DBED C/C=C(/C)C(=O)N1CCCO[C@H](CNCC(=O)NCC#N)C1 1200216624 XTPZYBBBKXGUEL-RYHWZFLVSA-N 308.382 -0.201 30 20 DBED C#CCNC[C@H]1CN(C(=O)[C@@H]2CCCN2CC#C)CCCO1 1200722475 XWFYIHLXRRQQLA-HOTGVXAUSA-N 303.406 -0.076 30 20 DBED COc1cc(C(=O)N2CCCO[C@@H](CNCC#N)C2)nn1C 1200931606 YDWGWHSGRFQKCA-NSHDSACASA-N 307.354 -0.227 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1C[C@H](NCCOC)C12CCC2 1202785525 QGPNXRGXQDLJIV-STQMWFEESA-N 307.394 -0.211 30 20 DBED C=CCCOCC(=O)N1CCC(NCc2nc(=O)n(C)[nH]2)CC1 1204016755 VYYVWTFGWNVRIO-UHFFFAOYSA-N 323.397 -0.218 30 20 DBED C#CCNC1CCN(C(=O)CCNC(=O)[C@H]2CCCO2)CC1 1204108108 HAHOHNUSBZWDOG-CQSZACIVSA-N 307.394 -0.115 30 20 DBED NC(=O)NC(=O)CNCC1CCN(C(=O)C#CC2CC2)CC1 1205210471 IRQWIJMPEPEASA-UHFFFAOYSA-N 306.366 -0.577 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)[C@@]23COC[C@@H]2C3)CC1 1205339315 DYCTTWYSKSTHRC-YOEHRIQHSA-N 319.405 -0.400 30 20 DBED CNC(=O)NC(=O)[C@@H](C)N1C[C@@H](NC(=O)C#CC2CC2)[C@H](C)C1 1206953054 PKSSJLBMCKPLFD-NQBHXWOUSA-N 320.393 -0.320 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)CCCC(=O)NC)C1 1207877558 LCKIUAXEIKJTQU-ZDUSSCGKSA-N 322.409 -0.767 30 20 DBED CC#CCN[C@@H]1CCCN(C(=O)CCS(=O)(=O)NC)C1 1208038940 SAIDGQAFOGCBBC-GFCCVEGCSA-N 301.412 -0.470 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)Cn2nccc2C)C1 1209865252 FBGUFIXIUJXALN-CQSZACIVSA-N 317.393 -0.478 30 20 DBED COC[C@H](O)CN1C[C@@H](NC(=O)CSCC#N)[C@H](OC)C1 1211886606 QONZNLBSCCFXPP-IJLUTSLNSA-N 317.411 -0.934 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)C)[C@H](OC)C1 1213246057 OBKJXCHAQHZRHE-JHJVBQTASA-N 309.410 -0.014 30 20 DBED C=CCCOCC(=O)N1C[C@@H](NCc2nc(=O)n(C)[nH]2)[C@H](C)C1 1216913669 ZCFJCSAMZNDXDN-VXGBXAGGSA-N 323.397 -0.362 30 20 DBED C=CCCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CS(C)(=O)=O 1217409095 SUHLGTYZXKYJQN-QWHCGFSZSA-N 316.423 -0.091 30 20 DBED Cc1cc(COCC(=O)N2CCO[C@@H]3CN(CC#N)C[C@@H]32)on1 1218161578 GCTSDIZMIXZBSJ-UONOGXRCSA-N 320.349 -0.065 30 20 DBED C#CCCCCC(=O)N[C@@H]1CN(Cc2nnn(C)n2)C[C@@H]1O 1219482365 XWMBTRWAQQEZSP-NEPJUHHUSA-N 306.370 -0.935 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(Cc2cnc(C)nc2)C[C@@H]1O 1219536615 VIUYIBMIGGZGBC-YCPHGPKFSA-N 320.393 -0.227 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(CCn2cccn2)C[C@@H]1O 1219605571 WOWWWHPVSMVFMP-MJBXVCDLSA-N 306.366 -0.917 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)c2cc3n(n2)CCC3)C1 1219758255 LUAXKSHNLBDHTF-CABCVRRESA-N 318.377 -0.746 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)CNC(=O)c2ccsc2)C1 1221005618 QRQYOXQABDOVKK-NEPJUHHUSA-N 307.375 -0.728 30 20 DBED N#CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3ccnnc3)[C@@H]2C1 1221829974 PHZQDEHXAQIGDS-CHWSQXEVSA-N 314.349 -0.737 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)c2ccc(O)nc2)CC1 1230170850 LMGQQTNMQAAJEL-UHFFFAOYSA-N 316.361 -0.269 30 20 DBED Cc1ncoc1C(=O)N(C)C[C@H]1CCN1CC(=O)NCC#N 1231404585 ATCKZVNFYIYJQH-LLVKDONJSA-N 305.338 -0.231 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)Cc1ccn(C)n1 1234223802 CLYIAIJHHPUVKB-CQSZACIVSA-N 317.393 -0.755 30 20 DBED CC#CCN1CC[C@H]1CN(C)C(=O)CCNS(C)(=O)=O 1234924634 RUARVFKYBZUGSA-LBPRGKRZSA-N 301.412 -0.518 30 20 DBED CN(C)C[C@H](O)CNC(=O)C(=O)Nc1ccc(OCC#N)cc1 1317850581 SHUZXUCAZUYWTQ-GFCCVEGCSA-N 320.349 -0.434 30 20 DBED CC(C)(CNC(=O)C(=O)Nc1ccn(CCC#N)n1)OCCO 1323095583 KZNSHPOZZVCJIH-UHFFFAOYSA-N 323.353 -0.361 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)C[C@H]1CCCS(=O)(=O)C1 1324277919 DQJBRZRACZYTAG-WDEREUQCSA-N 301.364 -0.118 30 20 DBED C[C@@H](C#N)CNC(=O)C(=O)Nc1ccc(S(C)(=O)=O)nc1 1324871511 NYUADBDJXHRPGQ-QMMMGPOBSA-N 310.335 -0.301 30 20 DBED C#CCOCCNC(=O)C(=O)NCCOc1ccc(OC)cc1 1325423342 MCBSTLIBNMIOCB-UHFFFAOYSA-N 320.345 -0.044 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CC[C@H](C(=O)OC)[C@@H]1C)[C@@H]1CCCO1 1325474673 LVXLZCBHBYEJPH-CYDGBPFRSA-N 322.361 -0.307 30 20 DBED C[C@](C#N)(NC(=O)COC(=O)C1(S(C)(=O)=O)CC1)C1CC1 1326893067 ZHIMVXYXACZNPS-GFCCVEGCSA-N 314.363 -0.085 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CCC[C@@H]2[C@H](C)O)nn1 1328526171 NYDSKVFMTHDYDN-CMPLNLGQSA-N 307.354 -0.548 30 20 DBED O=C1C=CC=N/C1=C(/O)NCCN1C(=O)NC2(CCC2)C1=O 1340012907 WAYBEFOCPITILO-ZHACJKMWSA-N 304.306 -0.013 30 20 DBED C=CCNC(=O)Cn1nnnc1N1CCO[C@H](COCC)C1 1343875550 SRFQOOZSBNGFAL-NSHDSACASA-N 310.358 -0.783 30 20 DBED CC(C)N1CC[C@@H](NC(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)C1=O 1345700079 QKZUNGCFYNHXKO-QJPTWQEYSA-N 306.366 -0.080 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCN(C(=O)OC)CC1)[C@@H]1CCCO1 1347038717 JERMKGSFVIEWCE-RYUDHWBXSA-N 323.349 -0.806 30 20 DBED COCCN(CCC#N)C(=O)c1ccnc(S(N)(=O)=O)c1 1362023974 BNMVMLBIDKNXPW-UHFFFAOYSA-N 312.351 -0.269 30 20 DBED CCc1cc(CNC(=O)Cn2cc(C#N)c(O)nc2=O)n[nH]1 1362143032 JWOFGYGUGUMKGK-UHFFFAOYSA-N 302.294 -0.578 30 20 DBED Cn1c(=O)[nH]c(NCC2(S(C)(=O)=O)CCC2)c(C#N)c1=O 1363155363 JDCYNVLFCBNQEK-UHFFFAOYSA-N 312.351 -0.676 30 20 DBED Cn1cc(S(=O)(=O)NCC(=O)N2CCC[C@H](C#N)C2)cn1 1364739895 HPXNXEKULLHNSR-SNVBAGLBSA-N 311.367 -0.539 30 20 DBED C=C(Cl)CNC[C@H]1CN(C(=O)CNC(=O)NC)CCO1 1368575898 GVYJHHGVWRGRHZ-JTQLQIEISA-N 304.778 -0.515 30 20 DBED CC[C@@H](OC)C(=O)NCCN1CCN(C(=O)[C@@H](C)C#N)CC1 1372209300 NDJDFEUBFJDGKP-QWHCGFSZSA-N 310.398 -0.169 30 20 DBED C[C@@H](C#N)C(=O)NC1CN(C(=O)[C@@H]2CCc3nnnn3CC2)C1 1374750768 OXYMJBMGNAAJBP-VHSXEESVSA-N 317.353 -0.888 30 20 DBED C[C@@H](C#N)C(=O)NCCN1CCN(Cc2ncccn2)CC1 1376075774 BNBXOJHHPOEFLK-ZDUSSCGKSA-N 302.382 -0.130 30 20 DBED CCN(CCC#N)C(=O)CN(C)CCNC(=O)c1ccncn1 1377236051 LQTWRARULYCGPU-UHFFFAOYSA-N 318.381 -0.100 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](C)CNC(=O)COCc1nncn1C 1389268077 VLFSKLMEWYOIPY-VHSXEESVSA-N 308.342 -0.888 30 20 DBED C[C@H](C#N)C(=O)N1CCC(N(C)C(=O)CS(C)(=O)=O)CC1 1395451436 SNSDWRJNPSOVEY-SNVBAGLBSA-N 315.395 -0.360 30 20 DBED C=C(Cl)CN1CC(CNC(=O)CN2CCC(=O)NC2=O)C1 1400538400 GORQSZQDMWKLKH-UHFFFAOYSA-N 314.773 -0.271 30 20 DBED C=C(Cl)CNC[C@@H](O)CN(C)C(=O)CCN1CCOCC1 1403880886 YRGLLQYUZVUGAW-CYBMUJFWSA-N 319.833 -0.130 30 20 DBED C[C@H](C#N)C(=O)N(C)CCN(C)C(=O)[C@@H](C)S(C)(=O)=O 1410048451 ZJOQGTOATFEFTP-NXEZZACHSA-N 303.384 -0.504 30 20 DBED CCN(C[C@H](C)C#N)C(=O)CN1CCn2c(CO)nnc2C1 1412975385 XLZGAIPXOFPBID-LLVKDONJSA-N 306.370 -0.406 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCC(=O)N1)NC(=O)c1c[nH]c(C#N)c1 1416888658 OPMZASIZKURBSC-GZMMTYOYSA-N 303.322 -0.601 30 20 DBED C=C(Cl)CNC[C@H](O)CNC(=O)c1cc2n(n1)CCO2 1422307428 AEFVNSVDYHAXSP-VIFPVBQESA-N 300.746 -0.292 30 20 DBED COCC(=O)N(C)CC(=O)NC[C@H](NC(=O)[C@H](C)C#N)C1CC1 1427930609 ROPQXWRATFIANR-PWSUYJOCSA-N 324.381 -0.738 30 20 DBED Cc1nccc(C(=O)N(C)C[C@@H](O)CNC(=O)[C@@H](C)C#N)n1 1428202687 KUGUPVUNNNJHEX-ONGXEEELSA-N 305.338 -0.506 30 20 DBED CN(CCc1ccncc1)C(=O)Cn1cc(C#N)c(O)nc1=O 1433666768 OIGFVJKALCWMBH-UHFFFAOYSA-N 313.317 -0.083 30 20 DBED Cc1ccc(C#N)c(N(C)CCNC(=O)Cn2ncnn2)n1 1439245442 KCWOTNPTGIVEID-UHFFFAOYSA-N 300.326 -0.499 30 20 DBED COc1nn(C)cc1C(=O)N(C)C[C@@H](O)CNC(=O)[C@H](C)C#N 1444704337 JHAKCASMUVBOKE-ZJUUUORDSA-N 323.353 -0.863 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)c2cc3n(n2)CCO3)C1 1447445978 MPPVXJLHVFPWBP-GUBZILKMSA-N 303.322 -0.188 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H](C)CNC(=O)c1cn(C)c(=O)n1C 1449979426 MTBWRQQPDRADQY-VHSXEESVSA-N 307.354 -0.540 30 20 DBED N#Cc1cn(CC(=O)NCC[C@H](O)C2CCCC2)c(=O)nc1O 1454982851 ZRMPIMTUQCBGLZ-LBPRGKRZSA-N 320.349 -0.122 30 20 DBED CS(=O)(=O)c1ccc(Cn2c(=O)[nH]cc(C#N)c2=O)cc1 1459136797 JHFYWXYTRBSILD-UHFFFAOYSA-N 305.315 -0.140 30 20 DBED CN1[C@H]2CC[C@H]1CN(C(=O)Cn1cc(C#N)c(O)nc1=O)CC2 1465573320 XVAITMUIEAWDOG-RYUDHWBXSA-N 317.349 -0.484 30 20 DBED CCC[C@@H](C)S(=O)(=O)NCCn1cc(C#N)c(O)nc1=O 1475510393 TWLZBXKMQHUEAW-SECBINFHSA-N 314.367 -0.071 30 20 DBED CNC(=O)NCCC(=O)NC[C@@H](C)NC(=O)c1c[nH]c(C#N)c1 1494702851 KQGYLRKLKKRQTQ-SECBINFHSA-N 320.353 -0.560 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCN(C)C(=O)C(C)(C)S(C)(=O)=O 1533042165 VQBPYMNERRZGNI-JTQLQIEISA-N 317.411 -0.114 30 20 DBED C[C@@H](C(=O)N[C@H](Cc1cnc[nH]1)C(=O)O)n1cnc(C#N)n1 1571079219 AWLQMGVBUXBHEE-IONNQARKSA-N 303.282 -0.754 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)CNC(=O)O)C[C@H]1C 1573368036 GYZYAPPANOXLPY-MNOVXSKESA-N 312.370 -0.617 30 20 DBED N#Cc1ncc(NC[C@H](CO)[C@H]2CCOC2)nc1-c1nn[nH]n1 1581883367 XPDSRDJYXOFDEX-DTWKUNHWSA-N 316.325 -0.415 30 20 DBED C#CCO[C@@H](C)C(=O)O[C@@H]1COC[C@H]1n1cc(C(=O)O)nn1 1588490677 VCRRCPTUNMIWFU-JMJZKYOTSA-N 309.278 -0.502 30 20 DBED C=CCCn1cc(C(=O)N2CC(=O)N(C)C[C@@H]2C(=O)O)nn1 1588817613 PNIXYDAKDZVPKZ-SNVBAGLBSA-N 307.310 -0.778 30 20 DBED C=CCOC[C@@H](NC(=O)[C@H]1CN(C(C)=O)CCO1)C(=O)O 1588855571 LSELTOKAJGDNCF-GHMZBOCLSA-N 300.311 -0.994 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)O)CCO1 1601062697 ISPRVGPNQSCBST-KXUCPTDWSA-N 303.340 -0.702 30 20 DBED N#CCn1cc(NC(=O)C(=O)NC2(CC(=O)O)CCC2)cn1 1601079167 QDTJLKJPEJOZOQ-UHFFFAOYSA-N 305.294 -0.141 30 20 DBED N#Cc1ccc(S(=O)(=O)CCn2nnc(CC(=O)O)n2)cc1 1601111385 ZXLZAUWJUGGGBS-UHFFFAOYSA-N 321.318 -0.354 30 20 DBED C=C(CCC(=O)O)C(=O)N1CCC[C@H](S(=O)(=O)NC)C1 1602776840 ZPLLHCQGIFQQCC-JTQLQIEISA-N 304.368 -0.052 30 20 DBED N#CCNC(=O)CN1CCC[C@H](NC(=O)CCc2cn[nH]c2)C1 1660847286 DXPQFGLGGFOZNV-ZDUSSCGKSA-N 318.381 -0.437 30 20 DBED C=CCOCCN[C@H]1CCN(C(=O)[C@H]2CCCS2(=O)=O)C1 1714334349 JPTAZSXBUCQMHV-QWHCGFSZSA-N 316.423 -0.043 30 20 DBED C[C@H](C#N)C(=O)NCCCN1CCN(Cc2cn(C)nn2)CC1 1752341115 GIORNFFYPZSZTD-CYBMUJFWSA-N 319.413 -0.401 30 20 DBED N#CCN[C@H](CNC(=O)Cn1nc2ccccn2c1=O)C1CC1 1752471506 BXHALUUAMTYFMW-GFCCVEGCSA-N 314.349 -0.496 30 20 DBED CN(CC#N)C[C@@H]1CCCN(C(=O)c2nnc(O)nc2O)C1 1752512150 BJBUNESWVNAKRK-VIFPVBQESA-N 306.326 -0.410 30 20 DBED C=CCNC(=O)CNC[C@H](C)CNC(=O)c1cc(=O)n(C)cn1 1753618571 MSUNKDBCGLSIER-NSHDSACASA-N 321.381 -0.962 30 20 DBED C#CCNC(=O)CNC[C@@H]1[C@H](C)CCCN1C(=O)CCN(C)C 1753809180 KMVDKJDBXJYVHK-HUUCEWRRSA-N 322.453 -0.096 30 20 DBED C=CCNC(=O)[C@H](C)NCC[C@@H](C)NC(=O)c1nnn(C)c1C 1753954254 GEFDWBFXELVTIG-MNOVXSKESA-N 322.413 -0.088 30 20 DBED N#CCNC(=O)CNC[C@@H]1CCCN1C(=O)CCc1ccon1 1754613172 YAXOXEYZODCGRV-ZDUSSCGKSA-N 319.365 -0.172 30 20 DBED C#CCNC(=O)CN1CCC(N(CC#C)C(=O)COCC)CC1 1754633964 FYMBXBDXKBAMCL-UHFFFAOYSA-N 319.405 -0.302 30 20 DBED C#CCNC(=O)[C@H](C)N1CC(O)(CNC(=O)C#CC(C)(C)C)C1 1754767835 UPNBPBAFGSKXDS-ZDUSSCGKSA-N 319.405 -0.663 30 20 DBED C#CCN1CC(O)(CNC(=O)CS(=O)(=O)C2CCCC2)C1 1754769768 LVRFJVSYYRWIHA-UHFFFAOYSA-N 314.407 -0.860 30 20 DBED CCCN(C)CC(=O)N1C[C@@H](C)[C@@H](CNCC(=O)NCC#N)C1 1754825491 LBZMKPOPQQZRKN-KGLIPLIRSA-N 323.441 -0.348 30 20 DBED Cc1occc(=O)c1OCC(=O)N1CCO[C@H](CNCC#N)C1 1755005314 MJEKHDBGIIPWIG-GFCCVEGCSA-N 321.333 -0.332 30 20 DBED CC[C@@H](NC(C)=O)C(=O)NC[C@H]1CCC2(CN(CC#N)C2)O1 1755055861 PVOWLCYIOMHNES-CHWSQXEVSA-N 308.382 -0.226 30 20 DBED N#CCN1CC(CCO)(NC(=O)c2ccc3nonc3c2)C1 1755334835 LYFUSJXBMDOBKS-UHFFFAOYSA-N 301.306 -0.087 30 20 DBED CC#CCN[C@H](CO)CNC(=O)[C@H](OCC)C1CCOCC1 1755634988 KELHYDQWAVOWPI-LSDHHAIUSA-N 312.410 -0.092 30 20 DBED C=CCNC(=O)CNC1CC(N(C)C(=O)[C@@H]2CCC(=O)N2C)C1 1755859997 OJTYYKWUNMPCDO-BPCQOVAHSA-N 322.409 -0.512 30 20 DBED C#CCNC(=O)CC(=O)N(C)[C@H](C)CNC(=O)C[C@H](C)OC 1756009580 RBSNPRNVWAOAFH-NEPJUHHUSA-N 311.382 -0.486 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H](CO)NC(=O)c1ncccc1C 1756521931 ZNCQPAODNAZKSX-QWHCGFSZSA-N 319.361 -0.365 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC(=O)N2C)C1 1757024510 HIURSTXWRQSVKO-GRYCIOLGSA-N 309.366 -0.739 30 20 DBED C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(CO)o3)C2)C1 1779553476 OFKGZWKRRAZUDN-MRXNPFEDSA-N 318.329 -0.151 30 20 DBED C[C@@H](O)C(=O)N1CC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1783510160 HDVNAPNJZINGLY-IAQYHMDHSA-N 309.366 -0.253 30 20 DBED N#CC1(C(=O)N2CC[C@]3(CN(C(=O)CN)CCO3)C2)CCC1 1785365625 JXNYXKTXRVZNSP-HNNXBMFYSA-N 306.366 -0.531 30 20 DBED C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](C)n1cnnn1)C2 1801600263 HLYZLDYOJMJGOB-YFKTTZPYSA-N 302.338 -0.495 30 20 DBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnoc3)C2)C1 1839807851 FSCDJSSZUUGYMK-OAHLLOKOSA-N 319.317 -0.622 30 20 DBED N#CCC(=O)N1CC2(CCCN2C(=O)Cn2ccncc2=O)C1 1845766755 NSQVJLITLVEJNG-UHFFFAOYSA-N 315.333 -0.640 30 20 DBED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)C1CCOCC1)C2 1846195307 ZXBWQSDGYUIYEV-UHFFFAOYSA-N 320.345 -0.296 30 20 DBED COC(=O)Cn1cc(CNC(=O)c2cc(C#N)cn2C)nn1 122084929 LKMLBDBHIGECMX-UHFFFAOYSA-N 302.294 -0.409 30 20 DBED CN(C)C[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(C#N)cc1 132127577 FYDBHYCGQICILR-HNNXBMFYSA-N 304.350 -0.074 30 20 DBED CCNC(=O)C(C)(C)C/N=C(\N)NCCCN1CCOCC1 157410087 GUESZJVNVOFXBN-UHFFFAOYSA-N 313.446 -0.225 30 20 DBED N#C[C@@H]1COCCN1C(=O)CN1CCN(c2ccccn2)CC1 175895520 ROSXIUGUKOOVBR-CQSZACIVSA-N 315.377 -0.045 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](CN)CC(C)C)C1=O 262590372 BAGGEQYSVHMDMB-JTQLQIEISA-N 310.354 -0.547 30 20 DBED N#C[C@@H]1COCCN1C(=O)[C@H](O)[C@H](O)c1nc2ccccc2[nH]1 275750861 UNGPDQGIQSLPDB-JIMOISOXSA-N 316.317 -0.292 30 20 DBED CC(C)N1C(=O)C[C@@H](NS(=O)(=O)N(C)C[C@H](C)C#N)C1=O 281851538 YJVTXKQCTKCGPU-NXEZZACHSA-N 316.383 -0.552 30 20 DBED C=CCN1CC[C@@H](N2CCN(C(=O)C(=O)NC3CC3)CC2)C1=O 282035557 QMPNBFXLCSHDST-CYBMUJFWSA-N 320.393 -0.804 30 20 DBED Cn1ccc(=O)n(CCS(=O)(=O)c2ccc(C#N)cc2)c1=O 316805680 DIZFRMBMEHATSN-UHFFFAOYSA-N 319.342 -0.107 30 20 DBED COC(=O)[C@@H]1C[C@@H](O)CN1CC(=O)N(CCC#N)CCC#N 317426732 ZMDPCBVGMCJJNG-NEPJUHHUSA-N 308.338 -0.749 30 20 DBED Cn1cc(CN2CCN(/C(O)=N/C[C@H]3COCCO3)CC2)cn1 329185297 QCJFDARMPCKJPI-AWEZNQCLSA-N 323.397 -0.133 30 20 DBED C[C@@H]1CN(CC(=O)N/C(O)=N/CC(F)(F)F)C[C@H](CO)O1 330948038 BORFSQMHHUWBFA-HTQZYQBOSA-N 313.276 -0.340 30 20 DBED C=CCN1CC[C@@H](N2CCC[C@H](CS(N)(=O)=O)C2)C1=O 337191697 SQJDSDFGTNFBJX-NWDGAFQWSA-N 301.412 -0.226 30 20 DBED CCn1cc(S(=O)(=O)N2CCO[C@H](C#N)C2)c([N+](=O)[O-])n1 339038782 ARMPFEFFMVEQQF-MRVPVSSYSA-N 315.311 -0.276 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)c2cncnc2C)CC1 341883192 AYYKQKRJNFOXOW-UHFFFAOYSA-N 303.366 -0.155 30 20 DBED COC(=O)CCN1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)C1=O 346815916 CABLIULGZIKWQJ-JTQLQIEISA-N 304.306 -0.220 30 20 DBED CN(C)C(=O)CN1CCC(NS(=O)(=O)CCCC#N)CC1 348107941 JUGIYWFRTFPLFF-UHFFFAOYSA-N 316.427 -0.238 30 20 DBED COC(=O)CN(CC#N)C(=O)CCS(=O)(=O)CC(C)C 348797826 AOPXRGKWTLPWPP-UHFFFAOYSA-N 304.368 -0.028 30 20 DBED N#CCNS(=O)(=O)CCCS(=O)(=O)NC1CCCC1 349575494 OUKISABWRPFEGD-UHFFFAOYSA-N 309.413 -0.319 30 20 DBED CN(CCC#N)S(=O)(=O)N1CCN([C@@H]2CCNC2)CC1 352544811 CZGHTASKMMPIIX-GFCCVEGCSA-N 301.416 -0.944 30 20 DBED C=C[C@@H](CO)NC(=O)C(=O)Nc1cccnc1OCCOC 354654063 OGUFQLRCPVMFOG-JTQLQIEISA-N 309.322 -0.292 30 20 DBED C[C@@H](CNC(=O)C(=O)NCCCCC#N)CN1CCOCC1 357996705 SJODPGZLRDPFIV-ZDUSSCGKSA-N 310.398 -0.119 30 20 DBED COCCN(CC#N)C(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O 457202415 IZKVNJHZDUJCGQ-TXEJJXNPSA-N 305.334 -0.064 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2O[C@H](C)C[C@@H]2C)CC1 491045293 KFRKXNBCQSAHAS-GZBFAFLISA-N 307.394 -0.307 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2ccc(C#N)cn2)CC1 491218978 BFIURFVRGVQFHS-UHFFFAOYSA-N 311.345 -0.540 30 20 DBED C#CCNS(=O)(=O)CCCCS(=O)(=O)Nc1ccon1 491395528 SYMUSUUWLZMZKA-UHFFFAOYSA-N 321.380 -0.251 30 20 DBED CCC[C@@H](C#N)NC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 525197610 BNDYVTWRTKELCH-YQPPGCHHSA-N 305.334 -0.043 30 20 DBED Cc1nn(C)c(N2CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)c1C#N 530522348 CZDWQFJJTLJIRC-LBPRGKRZSA-N 316.365 -0.473 30 20 DBED CNS(=O)(=O)[C@H]1CCN([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 532758118 UHNNQYBPFUNPIQ-QWHCGFSZSA-N 322.390 -0.292 30 20 DBED CC1(C#N)CCN([C@H]2CC(=O)N(CCOCCO)C2=O)CC1 562228927 XJJJNGFAVHJGNZ-LBPRGKRZSA-N 309.366 -0.252 30 20 DBED C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@H]1CS(=O)(=O)CCO1 578351934 MULBXRHNJKHWMI-SRVKXCTJSA-N 318.395 -0.310 30 20 DBED C=CCn1cc(C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)OCC)nn1 592625925 KJCDPYXJARWWKL-NXEZZACHSA-N 323.353 -0.350 30 20 DBED CCC[C@H](C(=O)NCC1CCN(CC#N)CC1)S(N)(=O)=O 597292605 FTBRVBOVXQRQAR-GFCCVEGCSA-N 316.427 -0.205 30 20 DBED C=CCN(C)C(=O)C(=O)N[C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O 685170846 UYKVKVUGOJESTI-ZYHUDNBSSA-N 319.365 -0.326 30 20 DBED N#Cc1cnn2cc(CNCCN3CCCS3(=O)=O)cnc12 729683786 AWAUALMEOMTCKY-UHFFFAOYSA-N 320.378 -0.274 30 20 DBED CN(C)C[C@](C)(O)CNc1cccc(S(N)(=O)=O)c1C#N 755028010 ZZWQLVFWYSZTCN-CYBMUJFWSA-N 312.395 -0.070 30 20 DBED C=C[C@H](C)NC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 757006936 RFMTVPUHUOCZKX-VHSXEESVSA-N 313.379 -0.157 30 20 DBED C=CCS(=O)(=O)NC(=O)CSc1nnnn1C1CC1 772723825 UMAJLTVLDUTDOT-UHFFFAOYSA-N 303.369 -0.268 30 20 DBED C#C[C@H](NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)[C@@H]1CCCO1 775339046 FHXXIQYMJZWENG-RDBSUJKOSA-N 307.394 -0.307 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)OCCCn2ccnc2)C1=O 783355531 NLJOKBFBYKWFOC-UHFFFAOYSA-N 320.305 -0.207 30 20 DBED N#Cc1ccc(C(=O)N2CCO[C@@H](c3nn[nH]n3)C2)cc1O 785411855 ZJHJXYXPWPEUQR-LLVKDONJSA-N 300.278 -0.009 30 20 DBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NOCCO 787294441 OZCDWMFBQCLLJM-VIFPVBQESA-N 313.335 -0.735 30 20 DBED CO[C@H](CNS(=O)(=O)N1CCO[C@@H](C#N)C1)C(F)(F)F 800052672 GFOZGTGUEXKGTR-JGVFFNPUSA-N 317.289 -0.378 30 20 DBED CC#CC[C@@H](CO)NC(=O)C1(O)CN(C(=O)OC(C)(C)C)C1 848239364 ANOZLRQKBWRTEA-NSHDSACASA-N 312.366 -0.141 30 20 DBED C#CCCNS(=O)(=O)CCCS(=O)(=O)Nc1cn[nH]c1 848964530 AUHJWSYGWIJDBH-UHFFFAOYSA-N 320.396 -0.516 30 20 DBED C=CCCSCCNC(=O)C(=O)N(C)CCS(C)(=O)=O 850614193 VTTGKBFLFVLAFK-UHFFFAOYSA-N 322.452 -0.085 30 20 DBED C#CC[C@H](CO)NC(=O)C(=NOCC(=O)OCC)c1cc[nH]n1 854543278 VXTGJUUBIHDLCS-SNVBAGLBSA-N 322.321 -0.806 30 20 DBED CON(C)C(=O)[C@H](C)NC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 858970632 PUMIMWAFPIOYOZ-JQWIXIFHSA-N 309.370 -0.224 30 20 DBED N#C[C@H]1CN(S(=O)(=O)N2C[C@H]3CC[C@H]2[C@@H](O)C3)CCO1 885816331 MOOMFKRMBXBWQE-BJDJZHNGSA-N 301.368 -0.699 30 20 DBED COC[C@H](C)NC(=O)NC(=O)COC(=O)CSCC#N 915388810 YDNYVBQYDAHJLM-QMMMGPOBSA-N 303.340 -0.353 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)CN1CCCCC1=O 915457996 OYYYSHRUTOJKKD-JTQLQIEISA-N 311.338 -0.058 30 20 DBED N#Cc1ccc(NCCNC(=O)CN2CCCS2(=O)=O)nc1 917098799 AHVSRTBXEMFSIK-UHFFFAOYSA-N 323.378 -0.483 30 20 DBED C#CCN1CCC[C@H](NC(=O)[C@H](CCSC)NC(N)=O)C1 923549963 SXZHNIFODVMZRU-RYUDHWBXSA-N 312.439 -0.010 30 20 DBED Cc1nn[nH]c1C(=O)N1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 937838668 FGPLHKVNPNPOIP-JTQLQIEISA-N 313.321 -0.043 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)[C@H]3COCCO3)C2)[nH]1 939505092 VOKOEVILJWSTSV-DGCLKSJQSA-N 318.333 -0.368 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)c3cn(C)nn3)C2)cn1 941879996 YZOHUDKNAARULE-CYBMUJFWSA-N 324.344 -0.164 30 20 DBED C=CCN1CC[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)[C@@H](C)C1 943235395 ZNCRPYOEYQFULB-AAEUAGOBSA-N 320.393 -0.290 30 20 DBED Cc1c(C(=O)NC[C@H]2CN(C(=O)[C@H](C)C#N)CCO2)cnn1C 944483326 VIIRKZRHTRDLQH-PWSUYJOCSA-N 319.365 -0.155 30 20 DBED C[C@H]1CN(C(=O)C#CC2CC2)CC[C@H]1NC(=O)Cn1cnnn1 945311848 KTFCPAPOALVENE-WCQYABFASA-N 316.365 -0.560 30 20 DBED Cc1c(C(=O)N[C@@H]2[C@H]3C[C@H]2N(C(=O)C#CC2CC2)C3)nnn1C 946856784 ZNWOOBFSAHEHJT-YWPYICTPSA-N 313.361 -0.134 30 20 DBED C#Cc1ccccc1CC(=O)N1C[C@H]2C[C@H]1[C@@H]2NC(=O)C(N)=O 947906628 ZCSIYQSGXJTAED-VNHYZAJKSA-N 311.341 -0.589 30 20 DBED Cn1cnc2nc(O)cc(C(=O)N3CCN(CC#N)CC3)c21 948709457 UZLXXSGEEJPPIE-UHFFFAOYSA-N 300.322 -0.045 30 20 DBED C#Cc1cncc(C(=O)NC[C@H]2CCN2C(=O)Cn2cncn2)c1 952014874 WCHYCVAYHYJFCD-CQSZACIVSA-N 324.344 -0.315 30 20 DBED C#Cc1ccc(C(=O)NC2(C)CCN(C(=O)C(N)=O)CC2)cn1 956438920 JEQNFSAMQSMSDV-UHFFFAOYSA-N 314.345 -0.341 30 20 DBED N#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cn3c(n2)CCCC3)C1 958117956 XDEUKYGGVRFJTJ-WCQYABFASA-N 303.366 -0.235 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2occc2CN(C)C)C1 958345590 PFZUQSAAUGKPHU-KGLIPLIRSA-N 305.378 -0.003 30 20 DBED C#CCN1C[C@H](CNC(=O)c2nn(C)c3c2CCCC3)[C@@H](O)C1 958408146 FIZROPZILWZPPO-WFASDCNBSA-N 316.405 -0.045 30 20 DBED C=CCCN1C[C@H](CNC(=O)c2ccc(C(N)=O)[nH]2)[C@@H](O)C1 958408572 KDHYUOCVTNGMNK-GWCFXTLKSA-N 306.366 -0.288 30 20 DBED CC#CCN1C[C@H](CNC(=O)c2cc(COC)on2)[C@@H](O)C1 958458021 GWPATWXWVULJAG-FZMZJTMJSA-N 307.350 -0.133 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2ccc(NC(N)=O)cc2)C1 958646017 ZSPDIXWIPVMZQY-GXTWGEPZSA-N 316.361 -0.167 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CN(C(=O)C3=COCCO3)C[C@H]2C1 959817143 RVNWBYYCKLSQAG-UTUOFQBUSA-N 305.334 -0.049 30 20 DBED C#CCN1C[C@@H]2C(NC(=O)c3ccc(OCC(N)=O)cc3)[C@H]2C1 960917862 AZTJMZPHLSLAMI-KBPBESRZSA-N 313.357 -0.156 30 20 DBED C#CCN1C[C@H]2[C@H](NC(=O)C3(N4CCOCC4)CCC3)[C@H]2C1 962162745 ISFRKAWVNGMLAZ-FICVDOATSA-N 303.406 -0.079 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)c1cc[n+]([O-])cc1 964069320 GVBSROOAAVDUBF-AAEUAGOBSA-N 318.333 -0.563 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CN(C(=O)c3ccon3)CCO2)C1 965313553 NKUWRSBWAQTEKT-JTQLQIEISA-N 304.306 -0.112 30 20 DBED C[C@H](C#N)C(=O)N1CC2(C1)CN(C(=O)C(C)(C)C(N)=O)CCO2 965403891 IXZOFFINUYQXHO-SNVBAGLBSA-N 322.365 -0.903 30 20 DBED CN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CCCN(C(=O)C(N)=O)CC1 967532833 HUJMTJNSQWEVDW-NSHDSACASA-N 317.349 -0.175 30 20 DBED C#CCCN1CC([C@@H](C)NC(=O)c2cc(=O)n3[nH]cnc3n2)C1 970736678 FKDQJFWZGYZCAQ-SNVBAGLBSA-N 314.349 -0.509 30 20 DBED C[C@@H](C(=O)N1CC[C@@]2(CN(CC#N)CCO2)C1)n1cncn1 972349622 ZYZWKRLNKVSRQD-GXTWGEPZSA-N 304.354 -0.334 30 20 DBED Cn1cnn(CC(=O)N2C[C@]3(C)CN(CC#N)C[C@]3(C)C2)c1=O 982320203 BFGVZKBBRKDJQL-GASCZTMLSA-N 318.381 -0.724 30 20 DBED C#CCN1C[C@@]2(C)CN(C(=O)[C@H]3CN(C)C(=O)N3)C[C@@]2(C)C1 982429279 PDUUUGXQYPIBRT-WQVCFCJDSA-N 304.394 -0.186 30 20 DBED CN(C(=O)C(N)=O)[C@@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1 984091171 BHVBDPZKCBSMPC-SNVBAGLBSA-N 303.322 -0.565 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)c3cnnn3C)C[C@@H]2C1 986041684 MXGSFWDRHYSTEP-UTUOFQBUSA-N 316.365 -0.105 30 20 DBED C=CCN[C@@H]1C[C@H](C)N(C(=O)c2cn(C)c(=O)n(C)c2=O)C1 989512000 WJMJCTLUGOCHCM-WDEREUQCSA-N 306.366 -0.537 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)[C@H](C)N2C(=O)CCC2=O)C1 993793376 KUJMTJCMTCXPEE-IUCAKERBSA-N 306.322 -0.989 30 20 DBED C=C(C)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)C(N)=O)CCO2)C1 1007683819 GNAAYBPQNKEUTG-INIZCTEOSA-N 323.393 -0.096 30 20 DBED C[C@H]1[C@@H](NC(=O)c2nnn(C)n2)CCN1C(=O)C#CC1CC1 1011736050 JRPQQHWJLQTDGQ-ONGXEEELSA-N 302.338 -0.657 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2CCCN(C(=O)C(N)=O)[C@@H]2C)cn1 1015108637 QMBUOLBQGZLAES-MFKMUULPSA-N 314.345 -0.343 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2ccccc2OCC(N)=O)C1 1015183029 SJXISLNWNJHVNQ-LLVKDONJSA-N 302.334 -0.122 30 20 DBED C=CCCn1cc(C(=O)N2CC[C@H](N[C@@H](C)C(N)=O)C2)nn1 1019493934 RXJSDEOESIDXPM-QWRGUYRKSA-N 306.370 -0.468 30 20 DBED CS(=O)(=O)CCN1CC[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 1028470927 PFJMRBIICJBPPB-LLVKDONJSA-N 324.406 -0.017 30 20 DBED CC#CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cnn2c(=O)cc[nH]c12 1032670921 STMYWLPYBCIUCY-RYUDHWBXSA-N 311.345 -0.055 30 20 DBED C#CCN1CCCC[C@@H](NC(=O)[C@H]2COCCN2C(C)=O)C1 1034533697 WXYVCIQMPDBEPI-HUUCEWRRSA-N 307.394 -0.162 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)[C@H]2C[C@H](OC)CN2C(C)=O)C1 1035456843 CBWDTKTUSNHUQC-SOUVJXGZSA-N 323.393 -0.928 30 20 DBED CC[C@H]1CN(C(=O)CN2CCOCC2=O)CC[C@@H]1NCC#N 1037858556 ITTCTTSNHVEJPX-STQMWFEESA-N 308.382 -0.415 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)Cc2cncnc2)C1 1039584798 KYXRBAFCDHJVGL-IAQYHMDHSA-N 317.349 -0.742 30 20 DBED C=CCOCC(=O)N1CC[C@@](O)(CNC(=O)[C@H]2CC2(F)F)C1 1039649736 FMJKHAUJIWGHLR-ZWNOBZJWSA-N 318.320 -0.076 30 20 DBED CN1CCC[C@@H]1C(=O)N1CC[C@](O)(CNC(=O)C#CC2CC2)C1 1039677684 KYYTZJKAZPNUHG-PBHICJAKSA-N 319.405 -0.426 30 20 DBED N#Cc1cnccc1N1CCO[C@H]2CCN(C(=O)C(N)=O)C[C@@H]21 1040000568 JZPFTVMDYONBQX-STQMWFEESA-N 315.333 -0.755 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)c2cncnc2O)C1 1040163586 HNXMJPOZXCKAQQ-YMTOWFKASA-N 319.321 -0.965 30 20 DBED Cc1nonc1C(=O)NC[C@@]1(O)CCN(C(=O)[C@H](C)C#N)C1 1040221271 RUUGIKDNIPAYHA-OQPBUACISA-N 307.310 -0.769 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@@](O)(CNC(=O)Cc2nc[nH]n2)C1 1040972017 OHISHKUCBXAMCK-OAHLLOKOSA-N 321.381 -0.361 30 20 DBED N#Cc1cnccc1N1C[C@@H](O)[C@H](NC(=O)c2cccnn2)C1 1041139345 NUHXHBXIPGBYAG-TZMCWYRMSA-N 310.317 -0.277 30 20 DBED CSCCC(=O)N1CC(O)(CNC(=O)CSCC#N)C1 1041567925 AICMPFVHGRFUPT-UHFFFAOYSA-N 317.436 -0.314 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)CCOCCOC)C1 1041973025 ORDNUQWMEBPMTH-UHFFFAOYSA-N 314.382 -0.305 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)c2ccc(C#N)[nH]2)C1 1042039538 BCLLZMHDKOLICH-UHFFFAOYSA-N 318.333 -0.608 30 20 DBED C[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1NC(=O)c1nnn(C)n1 1042422358 BPBXDQYGFRKRND-PSASIEDQSA-N 313.325 -0.874 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1042976433 AFGOABPTASWWFS-GHMZBOCLSA-N 309.322 -0.855 30 20 DBED CC#CCN1CC(N(C)C(=O)[C@@H]2CCc3nnc(O)n3C2)C1 1043127288 DCNVBPJFRLCHOA-LLVKDONJSA-N 303.366 -0.288 30 20 DBED N#Cc1cnc(N2C[C@H](O)[C@H](NC(=O)CN3CCCC3)C2)cn1 1043971992 UIHXMPVFGKSEEO-OLZOCXBDSA-N 316.365 -0.890 30 20 DBED C#CCN1CCC(C(=O)NC2(C)CCN(CC(N)=O)CC2)CC1 1045647078 QKIQZRPTHLNTIV-UHFFFAOYSA-N 320.437 -0.212 30 20 DBED C#CCN1CC[C@H](N2CCN(C(=O)C[C@H]3CCNC3=O)CC2)C1 1046035558 PBKRKKVTOSEYJB-CABCVRRESA-N 318.421 -0.636 30 20 DBED CC#CCN1CC[C@@H](N2CCN(C(=O)c3nc[nH]n3)CC2)C1 1046071666 LLZBKPYDPNFPMG-CYBMUJFWSA-N 302.382 -0.340 30 20 DBED C[C@@]1(NC(=O)C2CC3(C2)CS(=O)(=O)C3)CCN(CC#N)C1 1046419719 ZAEOHBVRAWLJBX-CYBMUJFWSA-N 311.407 -0.085 30 20 DBED C=CCN1CCOC[C@H]1CNC(=O)c1cc(C(N)=O)cn1C 1051003290 MCOXCLLAXVLNIL-GFCCVEGCSA-N 306.366 -0.259 30 20 DBED CC#CCN1CCOC[C@@H]1CNC(=O)c1cc(OC)n(C)n1 1051014380 VYTYOPAZABECPV-LBPRGKRZSA-N 306.366 -0.117 30 20 DBED N#CCN1CCOC[C@H]1CNC(=O)c1cn(CC2CC2)nn1 1051187953 CQKQMBGATFGHLG-GFCCVEGCSA-N 304.354 -0.358 30 20 DBED C[C@@H]1CN(C(=O)CNC(N)=O)C[C@@H]1CNC(=O)C#CC1CC1 1051936740 XWKLNOVIZDQDLD-PWSUYJOCSA-N 306.366 -0.721 30 20 DBED Cn1nnnc1CN1CC2(C1)CN(C(=O)C#CC1CC1)CCO2 1053249963 HBMOSZJVZSYSKX-UHFFFAOYSA-N 316.365 -0.963 30 20 DBED C#CCN1CC2(C1)CN(C(=O)c1coc(COC)n1)CCO2 1053489047 URQVNAAUHQYVPS-UHFFFAOYSA-N 305.334 -0.019 30 20 DBED C#CCOCCC(=O)N1CCC[C@](CO)(NC(=O)C2CC2)C1 1055687602 DNOZWBWCSAJNAC-INIZCTEOSA-N 308.378 -0.094 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC[C@](CO)(NC(=O)COC)C1 1055705759 SEKVUEZEKXBHET-DOMZBBRYSA-N 312.366 -0.859 30 20 DBED C=CCCOCC(=O)NCCN(CCO)C(=O)c1cc[nH]n1 1057047812 MZYBEKDZHKHOGF-UHFFFAOYSA-N 310.354 -0.447 30 20 DBED Cc1cc(C(=O)N(CCO)CCNC(=O)[C@H](C)C#N)ncn1 1057359442 FPQZDGVNTPVMJO-SNVBAGLBSA-N 305.338 -0.505 30 20 DBED N#Cc1nccnc1N[C@H]1CCCN(C(=O)[C@@H]2COC(=O)N2)C1 1057631303 NOZYNLKFNZJSFW-ONGXEEELSA-N 316.321 -0.140 30 20 DBED N#Cc1nccnc1N1CCC(NC(=O)Cn2cnnn2)CC1 1057840726 QBRTWEXSPJUNGA-UHFFFAOYSA-N 313.325 -0.880 30 20 DBED Cc1nonc1C(=O)N(CCO)CCNC(=O)C#CC(C)(C)C 1058003212 BSMYXGONWWUQSR-UHFFFAOYSA-N 322.365 -0.022 30 20 DBED CCc1n[nH]cc1C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N 1058053377 BOAFWDPHGACYJP-JTQLQIEISA-N 307.354 -0.318 30 20 DBED N#Cc1nccnc1N1CCC[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 1058239410 LTYSIIHGXCNFLT-MXWKQRLJSA-N 314.349 -0.445 30 20 DBED N#Cc1cncc(N2CC[C@H](NC(=O)C3=COCCO3)C2)n1 1058276256 BJJZACDXEAHXTQ-JTQLQIEISA-N 301.306 -0.069 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)c1cc(C(N)=O)co1 1058834227 PYRMKEGTIXBWRD-UHFFFAOYSA-N 323.349 -0.105 30 20 DBED N#Cc1nc(=NC[C@H]2CCN(C(=O)c3cc[n+]([O-])cc3)C2)cc[nH]1 1060787019 WXJCFBRYDBLCPY-GFCCVEGCSA-N 324.344 -0.022 30 20 DBED C=CCOCCCC(=O)N1CCC2(CC1)CN(C(=O)C(N)=O)C2 1061111928 PQUZGLIJVULRRM-UHFFFAOYSA-N 323.393 -0.095 30 20 DBED Cc1cc(C#N)nc(N(C)[C@@H]2CCCN(C(=O)C(N)=O)C2)n1 1061258590 GTVZVMBNJCEAJT-LLVKDONJSA-N 302.338 -0.431 30 20 DBED N#CCSCC(=O)NC[C@@H]1COCCN1C(=O)c1ccon1 1061318035 OGYLPOJJCITXNN-SNVBAGLBSA-N 324.362 -0.111 30 20 DBED C=CCCC(=O)N1CCOC[C@H]1CNC(=O)c1c[nH]c(=O)cn1 1061825315 GMHBEUYLXCVPHO-LLVKDONJSA-N 320.349 -0.307 30 20 DBED CN(C(=O)[C@H]1COC(=O)N1)[C@@H]1CCN(c2cnc(C#N)cn2)C1 1062928595 LWCGBSJADXZQOH-GHMZBOCLSA-N 316.321 -0.506 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(NC(=O)c2cnnn2C)CCC1 1063041605 AEYMYAULNBVDJR-NSHDSACASA-N 319.365 -0.378 30 20 DBED N#Cc1ccc(N2CCO[C@H](CNC(=O)[C@H]3CCOC3)C2)nn1 1063619379 SYHMHJUBATUHER-WCQYABFASA-N 317.349 -0.294 30 20 DBED C#CCOCCC(=O)NC[C@H]1CN(C(=O)c2ccon2)CCO1 1064912195 WELPPGMKZZXNKZ-LBPRGKRZSA-N 321.333 -0.328 30 20 DBED CC(=O)NC(C)(C)C(=O)N1CCO[C@@H](CNC(=O)[C@H](C)C#N)C1 1065349293 DRMVCJIVIMJXMS-PWSUYJOCSA-N 324.381 -0.596 30 20 DBED N#Cc1ccc(NCC[C@@H]2CCN(C(=O)CC(N)=O)C2)nn1 1066290237 OYCOZQPGVPFKNI-SNVBAGLBSA-N 302.338 -0.126 30 20 DBED C#CCO[C@H](C)C(=O)N1CCOC2(CN(C(=O)[C@@H](C)C#N)C2)C1 1068395867 DOFOOAZAMFMRPH-QWHCGFSZSA-N 319.361 -0.376 30 20 DBED COC[C@@H](C)C(=O)N1CC2(CN(C(=O)[C@H](C)C#N)CCO2)C1 1068450895 APHWGFTVDQKQQS-VXGBXAGGSA-N 309.366 -0.132 30 20 DBED C=CCOCC(=O)N[C@H]1COC2(C1)CN(C(=O)c1nc[nH]n1)C2 1068763704 AHBXJBLJCZAOGY-SNVBAGLBSA-N 321.337 -0.893 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1COC2(C1)CN(C(=O)c1cnccn1)C2 1069003159 KLHJKHCABCQXDC-QWRGUYRKSA-N 315.333 -0.264 30 20 DBED C#CCCN1CCNC(=O)CCN(C(=O)[C@@]23COC[C@@H]2C3)CC1 1070965642 MDZVVBZAUQQHBE-YOEHRIQHSA-N 319.405 -0.303 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CCC(=O)N2)C1 1071047250 JBBZCIAAJWTZHI-UPJWGTAASA-N 323.393 -0.037 30 20 DBED CC#CCN1C[C@@H](NC(=O)Cn2ccc(O)nc2=O)CC[C@@H]1C 1071657647 AYHCYOXLECIZPS-STQMWFEESA-N 318.377 -0.059 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](NC(=O)Cn2nccn2)[C@H](C)C1 1072049727 VZJRCRWCOWSMIR-CHWSQXEVSA-N 303.366 -0.099 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)[C@H]2CCCCC(=O)N2)C1 1073762566 GOXVCOOSCVJZIE-UONOGXRCSA-N 307.394 -0.115 30 20 DBED C[C@H](C#N)C(=O)N1CCC(O)(CNC(=O)CC2(O)CCC2)CC1 1074705469 SNQHEWNEYAJCLI-GFCCVEGCSA-N 323.393 -0.079 30 20 DBED C=C(C)CN1C[C@@H]2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)[C@@H]2C1 1075896101 IBNIJINZJPWUIF-SDDRHHMPSA-N 306.366 -0.307 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H](C)CCNC(=O)[C@H]1CCC(=O)N1 1075929995 RLIWMYZUPATARA-QJPTWQEYSA-N 309.366 -0.686 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC[C@H](C)NC(=O)c1cn(C)nn1 1076300301 FOTOVBIEHRLXON-IINYFYTJSA-N 309.370 -0.233 30 20 DBED C[C@@H](CCNC(=O)[C@@H]1COC(=O)N1)NC(=O)CSCC#N 1076344307 JCHREEGQKHAVOJ-IUCAKERBSA-N 314.367 -0.637 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H](C)CCNC(=O)CCNC(N)=O 1076452371 OMVIJLPADXVYJO-QWRGUYRKSA-N 314.386 -0.353 30 20 DBED COCCn1cc(C(=O)NCC[C@H](C)NC(=O)[C@H](C)C#N)nn1 1076507481 ISIVLRDCALKXBZ-MNOVXSKESA-N 322.369 -0.291 30 20 DBED C#CCO[C@H](C)C(=O)NCC[C@H](C)NC(=O)[C@]1(C)CCC(=O)N1 1076508626 BLGFGAHTRWUNMT-OZVIIMIRSA-N 323.393 -0.296 30 20 DBED C[C@@H](CCNC(=O)[C@H](C)C#N)NC(=O)c1cc(C(N)=O)c[nH]1 1078136167 GDQJTJDUWNNEBX-BDAKNGLRSA-N 305.338 -0.102 30 20 DBED C#CCN[C@H]1C[C@H]2CC[C@H]1N(C(=O)c1cc(=O)n(C)cn1)C2 1078971474 ZUQOURIRWWKILP-MBNYWOFBSA-N 300.362 -0.004 30 20 DBED CN1CC(=O)N(CC(=O)N2C[C@H]3CC[C@H]2[C@H](NCC#N)C3)C1=O 1079102237 JPSYMMGAASCCEV-TUAOUCFPSA-N 319.365 -0.627 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)[C@H]2COC(=O)N2)C1 1079701746 MMXQOFXPGMDBHZ-CMPLNLGQSA-N 323.349 -0.808 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@@H]2Cc3cncn3C(=O)N2)[C@H](C)C1 1080181720 IHBUKFOMUDGBQC-KGYLQXTDSA-N 301.350 -0.565 30 20 DBED C#CCOCCC(=O)N1CC(N(CC)C(=O)c2nc[nH]n2)C1 1080249620 UBMJMHFWCJKCOB-UHFFFAOYSA-N 305.338 -0.483 30 20 DBED COCC(=O)N1CCC(CO)(NC(=O)CSCC#N)CC1 1080732118 CGDDPAUGSZEFLY-UHFFFAOYSA-N 315.395 -0.641 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CO)(NC(=O)c2cncnc2)CC1 1080825453 PBZDWCGEXJUNKO-LLVKDONJSA-N 317.349 -0.280 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)CNC(=O)C2CC2)C1 1081299771 JKALCTQJYFNGOS-CHWSQXEVSA-N 323.393 -0.586 30 20 DBED Cn1nccc1C(=O)N1C[C@H](O)[C@H](CNC(=O)C#CC2CC2)C1 1081471453 NQSBNNWVOXLEBJ-OCCSQVGLSA-N 316.361 -0.617 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(Cc2cnon2)C[C@@H]1O 1083853373 QVFDRZONQFTIQO-CRWXNKLISA-N 322.365 -0.288 30 20 DBED C=CCCn1cc(C(=O)N(C)C[C@@H]2CCN2CC(N)=O)nn1 1085863895 MFXOXBGQURQLGU-NSHDSACASA-N 306.370 -0.514 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2)C[C@H]1c1cnn(C)c1 1086971693 ZTCQXAALMIJLGV-BFHYXJOUSA-N 315.377 -0.784 30 20 DBED Cn1cnc(C(=O)N2C[C@H]3CCN(CC#N)C[C@H]3C2)cc1=O 1087997990 LMIOTOKJFGWWDI-NEPJUHHUSA-N 301.350 -0.302 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2ccnc3ccnn23)[C@@H](O)C1 1090324044 ULMVHCJQXZSTFV-OCCSQVGLSA-N 313.361 -0.082 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2cn3c(n2)COCC3)[C@@H](O)C1 1090361069 OIHPUJZWYJYEFF-OCCSQVGLSA-N 318.377 -0.398 30 20 DBED CC(=O)N[C@H](C)C(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1O 1090369090 SJETZMSQGYZBCW-OASPWFOLSA-N 317.349 -0.856 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2ccc(C(N)=O)o2)[C@H](O)C1 1090421004 SCAGZHTWNMBLAD-GHMZBOCLSA-N 305.334 -0.433 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2cc3n(n2)CCCO3)[C@@H](O)C1 1090425776 SXKQLSGWXBUGMM-YPMHNXCESA-N 304.350 -0.536 30 20 DBED COC[C@H](C)CC(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1O 1090476036 SMPXGGQJUBTWEN-RAIGVLPGSA-N 319.365 -0.313 30 20 DBED C#CCN1CC[C@H](NC(=O)c2c(C)c(C)nn(C)c2=O)[C@@H](O)C1 1090478640 HJTPAVQJZHMQIT-STQMWFEESA-N 318.377 -0.805 30 20 DBED C=CCN1CC[C@@H](NC(=O)Cn2nnc3c2CCCC3)[C@@H](O)C1 1090574017 QUAUIZUPWCVGIY-HIFRSBDPSA-N 319.409 -0.106 30 20 DBED N#CCN1CC[C@H](NC(=O)c2nccn3ccnc23)[C@H](O)C1 1090582058 UZSKTRCGTFARIT-WDEREUQCSA-N 300.322 -0.582 30 20 DBED Cc1cn2nc(C(=O)NCC3CC(NCC#N)C3)cc2c(=O)[nH]1 1091162454 MMGVCRCITAZBSU-UHFFFAOYSA-N 314.349 -0.047 30 20 DBED C#CCN1CC(OC2CCN(C(=O)[C@@H]3COCCO3)CC2)C1 1093510562 GCLBEVZLAMBWHR-HNNXBMFYSA-N 308.378 -0.273 30 20 DBED N#Cc1nc(=NCCNC(=O)C(=O)Nc2ccccc2)cc[nH]1 1094243239 FHJIASUUBYIVFD-UHFFFAOYSA-N 310.317 -0.063 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC[C@@H](Nc2nccn3nnnc23)C1 1095038220 XRHHNPYDHSKXIF-QMTHXVAHSA-N 317.353 -0.141 30 20 DBED C#CCN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccc(=O)n(C)n1)C2 1095052476 QFCPWSXMWNZYQF-AVGNSLFASA-N 300.362 -0.004 30 20 DBED N#Cc1cnc(NCC2CCN(C(=O)CNC(N)=O)CC2)cn1 1095254300 RNBGCIKPBLNMSR-UHFFFAOYSA-N 317.353 -0.333 30 20 DBED CN1CCO[C@@H](C(=O)NCCCN(C)c2ccc(C#N)nn2)C1 1095521547 JCHWQABGHVJJPP-CYBMUJFWSA-N 318.381 -0.379 30 20 DBED CN(CCCNC(=O)C(C)(C)C(N)=O)c1ccc(C#N)nn1 1095662102 HEXFVAODVXNEAH-UHFFFAOYSA-N 304.354 -0.198 30 20 DBED CN(CCCNC(=O)[C@H]1CC[C@@H]1C(N)=O)c1ccc(C#N)nn1 1095697238 ZYWAYDOQRBROGU-RYUDHWBXSA-N 316.365 -0.198 30 20 DBED CN1CC[C@H](C(=O)NCCCN(C)c2cncc(C#N)n2)C1=O 1095701758 WBFPUAGRKLHZBN-GFCCVEGCSA-N 316.365 -0.231 30 20 DBED CC(=O)N[C@H](C)C(=O)N[C@H]1CCN(c2cnc(C#N)cn2)C1 1096317574 VVWNQNGNLUYHKK-KOLCDFICSA-N 302.338 -0.432 30 20 DBED N#Cc1cnc(N2CC[C@@H](NC(=O)CNC(N)=O)C2)c(Cl)c1 1096322911 RGRGHGYHTNHKGT-SECBINFHSA-N 322.756 -0.030 30 20 DBED CC[C@H](NC(C)=O)C(=O)N[C@H]1C[C@H](N=c2cc[nH]c(C#N)n2)C1 1097106487 SKFPXNNMJMFNPA-SRVKXCTJSA-N 316.365 -0.256 30 20 DBED C#CCN(CCO)C1CCN(C(=O)CS(=O)(=O)CC)CC1 1098571620 SSCAFPPZYONSLL-UHFFFAOYSA-N 316.423 -0.660 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2cn(C)cn2)[C@H](O)C1 1099766366 JXFNGPKXSTUBFG-GXTWGEPZSA-N 306.366 -0.765 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)C2(CF)CC2)[C@H](O)C1 1100007383 YKTBASAMBIYYMY-NWDGAFQWSA-N 313.373 -0.410 30 20 DBED COCC#CCN1CC[C@H](NC(=O)Cn2ccnc2C)[C@H](O)C1 1100110283 SSRDRAZHKADDRQ-LSDHHAIUSA-N 320.393 -0.607 30 20 DBED N#Cc1nccnc1N1CCC[C@@H]1CNC(=O)Cn1ncnn1 1100868343 VJVUWVDGSYPGHJ-SNVBAGLBSA-N 313.325 -0.880 30 20 DBED COC[C@H](C)C(=O)N1C[C@H]2CN(CC(=O)NCC#N)C[C@@]2(C)C1 1101171478 BYAWYHSBNBMKCZ-ZENOOKHLSA-N 322.409 -0.311 30 20 DBED CN(CCN=c1cc[nH]cc1C#N)C(=O)[C@@H]1CC[C@H]1C(N)=O 1101892770 HHUTWLBDUUPRJY-VXGBXAGGSA-N 301.350 -0.243 30 20 DBED COCC(=O)N[C@H](C)C(=O)N(C)CCNc1nccnc1C#N 1102008316 MRWNMRYSINYBEF-SNVBAGLBSA-N 320.353 -0.630 30 20 DBED CC[C@@H](CNC(=O)[C@]1(C)CCC(=O)N1)N=c1cc[nH]c(C#N)n1 1103297760 RXDQTCBYRJRHCK-BONVTDFDSA-N 316.365 -0.254 30 20 DBED CNC(=O)CC(=O)NC[C@@H](C)CN=c1cc(C)[nH]cc1C#N 1103926027 OEBGHAZXIJEMFR-JTQLQIEISA-N 303.366 -0.016 30 20 DBED C[C@H](CN=c1cc[nH]cc1C#N)CNC(=O)[C@H]1CN(C)C(=O)N1 1104177615 ZZOJMNYWRLOMRP-ZWNOBZJWSA-N 316.365 -0.437 30 20 DBED C#CCCNCC[C@@H]1CN(C(=O)C[C@@H]2NC(=O)NC2=O)C[C@H]1C 1104304484 MJJVKSVTSKFLMF-UPJWGTAASA-N 320.393 -0.318 30 20 DBED C=CCCNCc1cn(C2CN(C(=O)C(C)(C)C(N)=O)C2)nn1 1105262354 XKGDVJQTFQCNCN-UHFFFAOYSA-N 320.397 -0.161 30 20 DBED CN(CCN(C)c1cncc(C#N)n1)C(=O)[C@H]1COCCO1 1105339216 MHDHLARTAXUJIS-GFCCVEGCSA-N 305.338 -0.342 30 20 DBED C#CCNCc1cn(C2CN(C(=O)C[C@H]3CCC(=O)N3)C2)nn1 1105342491 HXTPPSNJPNQFDK-LLVKDONJSA-N 316.365 -0.947 30 20 DBED C=CCOCCN1CC(OC2CCN(C(=O)C(N)=O)CC2)C1 1105721211 UUBMKBMIFZSSOL-UHFFFAOYSA-N 311.382 -0.634 30 20 DBED CO[C@@H](C(=O)NC[C@H](O)CNc1nccnc1C#N)C1CC1 1105833558 NSGDEYXUMZVUCE-ZYHUDNBSSA-N 305.338 -0.338 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)c2ccc(O)nc2)nn1 1105847516 CNVYOQWJXALIKC-LLVKDONJSA-N 314.305 -0.348 30 20 DBED CN1CCC(C(=O)NC[C@@H](O)CNc2cnc(C#N)cn2)CC1 1105883503 VRTOLCNNRLPHMB-ZDUSSCGKSA-N 318.381 -0.421 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H](O)CNC(=O)c1csc(O)n1 1106066239 AGLJUHWCMBXTEY-SECBINFHSA-N 319.346 -0.260 30 20 DBED Cc1nc(NC[C@H](O)CNC(=O)[C@H]2C[C@H]2C(N)=O)ccc1C#N 1106119695 QFWLXBHZLBCXIB-TUAOUCFPSA-N 317.349 -0.728 30 20 DBED C[C@H](CCNc1cnc(C#N)cn1)NC(=O)C1(C(N)=O)CC1 1106550599 ZHBLPEIEOOWTPH-SECBINFHSA-N 302.338 -0.080 30 20 DBED CNC(=O)C1(C(=O)N2C[C@@H](C)[C@H](CNCC#CCOC)C2)CC1 1106759853 BOLCRRPELKDVSR-ZIAGYGMSSA-N 321.421 -0.154 30 20 DBED C=C(Cl)CNC[C@@H]1CN(C(=O)CS(=O)(=O)NC)C[C@H]1C 1106994425 LRSDYRPCCLIYII-MWLCHTKSSA-N 323.846 -0.028 30 20 DBED COCC#CCN1CC(n2cc(CNC(=O)C3CC3)nn2)C1 1107106852 JXQXFPRTMPKGRO-UHFFFAOYSA-N 303.366 -0.189 30 20 DBED C=C(Cl)CN1CC(n2cc(CNC(=O)CC(N)=O)nn2)C1 1107150746 XTMBMYXHALTRFZ-UHFFFAOYSA-N 312.761 -0.621 30 20 DBED C#CCN1CC(n2cc(CNC(=O)[C@H](C3CC3)N(C)C)nn2)C1 1107179333 JQIGRYBIXWRVIU-HNNXBMFYSA-N 316.409 -0.276 30 20 DBED C=CCNC(=O)CN1CCO[C@@](C)(CNC(=O)c2cc[nH]n2)C1 1107759280 QONRYAFIMZBBBO-HNNXBMFYSA-N 321.381 -0.467 30 20 DBED CNC(=O)[C@@H](C)N1CCO[C@](C)(CNC(=O)C#CC(C)C)C1 1107926249 DBYVULSVSZYGOA-CZUORRHYSA-N 309.410 -0.013 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)CC[C@H](C)OC)CC2=O)C1 1108537772 VDSWZASAUWRWOI-QWHCGFSZSA-N 307.394 -0.164 30 20 DBED C#CCN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CNS(=O)(=O)CC)C2 1108699785 MCPWLZDYTLLXRK-XQQFMLRXSA-N 313.423 -0.472 30 20 DBED C[C@H](CN(C)c1cncc(C#N)n1)NC(=O)[C@@H]1CCN(C)C1=O 1109182593 BXPKUPYAJOVEEB-PWSUYJOCSA-N 316.365 -0.233 30 20 DBED COC[C@H](OC)C(=O)N[C@@H](C)CN(C)c1ccnc(C#N)n1 1109219190 GDHJMETYWCWRQU-QWRGUYRKSA-N 307.354 -0.049 30 20 DBED Cn1ncnc1COCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC#N 1109915269 SKMPFLHEPGRWCW-WOPDTQHZSA-N 304.354 -0.423 30 20 DBED N#Cc1c[nH]ccc1=NC1(CNC(=O)CCNC(N)=O)CC1 1110143047 ITCZMFQREHUIPL-UHFFFAOYSA-N 302.338 -0.506 30 20 DBED NC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C#CC1CC1 1110539339 OQSPLCIGTMPRCF-UTUOFQBUSA-N 304.350 -0.684 30 20 DBED CC(=O)N(C)CC(=O)N[C@@]1(C)CCN(c2ccc(C#N)nn2)C1 1110723317 YVNRMOKPFMEROH-HNNXBMFYSA-N 316.365 -0.088 30 20 DBED CCNC(=O)CC(=O)N[C@]1(C)CCN(c2ccc(C#N)nn2)C1 1110742854 BFLLYWIKRBXVFN-OAHLLOKOSA-N 316.365 -0.041 30 20 DBED N#Cc1c[nH]ccc1=NCCN(CCO)C(=O)c1n[nH]cc1F 1111555063 MWROPNPYEDCSNH-UHFFFAOYSA-N 318.312 -0.216 30 20 DBED Cc1cnc(C(=O)N2CCN(CC(=O)NCC#N)CC2)cn1 1112599203 CJCUDZZFPRGTST-UHFFFAOYSA-N 302.338 -0.817 30 20 DBED C[C@H](CNC(=O)[C@H]1CCNC1=O)N(C)c1ccnc(C#N)n1 1113802665 RGPUFGQWUQWVKU-ZJUUUORDSA-N 302.338 -0.575 30 20 DBED CN1CC[C@H](N2C[C@H]3[C@H](NC(=O)CSCC#N)[C@H]3C2)C1=O 1113898773 BLGLNIKXSAEJLZ-SRRSOLGSSA-N 308.407 -0.480 30 20 DBED CC(C)[C@H](CCN(C)C(=O)CC(N)=O)N=c1cc[nH]c(C#N)n1 1114080234 IXKLTTQZFSXUFM-NSHDSACASA-N 318.381 -0.069 30 20 DBED C#CCCCCC(=O)N[C@H]1[C@@H]2CN([C@@H](C)C(=O)NC(N)=O)C[C@@H]21 1114163456 ICAZYHADMJBWPS-CIQGVGRVSA-N 320.393 -0.190 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)Cn3cncc3C)[C@H]2C1 1114563593 WXXLFODMOBMJCI-VIKVFOODSA-N 317.393 -0.460 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)CN(CC)CC)[C@H]2C1 1114992403 URXYGZXPDAEHSE-VIKVFOODSA-N 308.426 -0.323 30 20 DBED CN(CCOCCNC(=O)c1nc[nH]n1)c1cnc(C#N)cn1 1115225969 JIKMXFROCWYFFG-UHFFFAOYSA-N 316.325 -0.651 30 20 DBED Cc1cc(=N[C@H](C)CN(C)C(=O)CNC(N)=O)c(C#N)c[nH]1 1115603527 UVSVMBKAQAJMHA-SNVBAGLBSA-N 304.354 -0.389 30 20 DBED C[C@H](CN(C)C(=O)CN1CCOCC1)Nc1cnc(C#N)cn1 1115677629 BFIZAGGSPFUXCE-GFCCVEGCSA-N 318.381 -0.061 30 20 DBED COCCN1CC[C@H](NC(=O)C(=O)Nc2ccc(C#N)cn2)C1 1117748659 HOVSYGKRWJCTJJ-LBPRGKRZSA-N 317.349 -0.271 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CCC[C@](C)(CO)C2)nn1 1118179047 YZSMGFQWVBJDLL-HNNXBMFYSA-N 321.381 -0.299 30 20 DBED C[C@@H]1CN(C(=O)C(=O)N2CCN(CCC#N)CC2)CC[C@H]1O 1118969780 VFVMMYUYIZXAQK-CHWSQXEVSA-N 308.382 -0.726 30 20 DBED C#CCNC1(CNC(=O)CS(=O)(=O)N(C)C)CCCCC1 1120080285 IXUWPHMLFQQZLD-UHFFFAOYSA-N 315.439 -0.080 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](CO)Nc1nc(O)c2cnn(C)c2n1 1121212779 JBKHJBNYRUWNDT-YUMQZZPRSA-N 319.325 -0.882 30 20 DBED Cc1ncc(C(=O)NC[C@H](CO)Nc2cncc(C#N)n2)[nH]1 1121235165 LEWZPPCKBZZYFQ-SNVBAGLBSA-N 301.310 -0.417 30 20 DBED Cn1nccc1CC(=O)NC[C@@H](CO)Nc1cnc(C#N)cn1 1121411635 FXIAGAQNDPTQKT-NSHDSACASA-N 315.337 -0.787 30 20 DBED COCCN1CCN(c2nnc(CCCC#N)n2C)CC1=O 1121494083 BIOOURSARGXYEN-UHFFFAOYSA-N 306.370 -0.044 30 20 DBED Cc1cc(C#N)nc(N[C@H](CO)CNC(=O)[C@H](C)CC(N)=O)n1 1122355559 MGLKVEAGYDZVPP-KCJUWKMLSA-N 320.353 -0.943 30 20 DBED COCCNC(=O)[C@H](C#N)C(=O)c1ccc2nnc(O)n2c1 1122414321 BOAUZAQJTPLNIU-SECBINFHSA-N 303.278 -0.480 30 20 DBED CC1(C)CN(C(=O)CNC(N)=O)C[C@H]1N=c1cc[nH]c(C#N)n1 1123902730 WUTDMDXCJXLTKV-SECBINFHSA-N 317.353 -0.913 30 20 DBED C=CCCC(=O)N(C)C[C@H](O)CN=c1cc[nH]c(C(=O)OC)n1 1124163737 LIWIHIPHIHVSIE-LLVKDONJSA-N 322.365 -0.118 30 20 DBED CC(=O)NCC(=O)N(C)C[C@H](O)CN(C)c1ncccc1C#N 1124940417 RJNSEQJBFHSBFF-ZDUSSCGKSA-N 319.365 -0.655 30 20 DBED C=CCOCC(=O)N(C)C[C@@H](O)CN(C)c1nccnc1C#N 1124988543 KTKZGUZIXPDOSL-GFCCVEGCSA-N 319.365 -0.194 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)c1nccc(C)n1 1126471694 KPUPEZLDPBNQHX-UHFFFAOYSA-N 318.381 -0.133 30 20 DBED C=C[C@@](C)(O)CC(=O)N1C[C@H]2C[C@@H]3CN(CCO)C[C@]2(C1)O3 1131221112 ZEZSSXWWCVMOMV-RRCSTGOVSA-N 310.394 -0.393 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)CCn1nc(C)cc1C 1132073071 BCXNUZDGTMNDFR-CQSZACIVSA-N 319.409 -0.266 30 20 DBED CCCN1CCC[C@@H](C(=O)NCCNCC(=O)NCC#N)C1 1132738031 UFVJPEJLDASWBW-CYBMUJFWSA-N 309.414 -0.546 30 20 DBED CC#CCNC[C@H]1CN(C(=O)CN2CCNC(=O)C2)CC[C@@H]1C 1133032345 YRUQGYLDNVKMIV-GJZGRUSLSA-N 320.437 -0.484 30 20 DBED COCC#CCNCCNC(=O)[C@@H]1CCCN1C(=O)C1CC1 1134894294 RHEALHRGTFXYAH-AWEZNQCLSA-N 307.394 -0.257 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)CN(C)C(C)C 1146591083 FUWNJKVNUSGSAW-KGLIPLIRSA-N 310.442 -0.051 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)c1cn(C)cn1)C2 1147328767 DNGYOWLKEFSGRI-UHFFFAOYSA-N 315.377 -0.683 30 20 DBED C#CCOCCC(=O)N1CC2(CCN(Cc3ncnn3C)C2)C1 1147531183 YSVKMDMKIFFFDZ-UHFFFAOYSA-N 317.393 -0.111 30 20 DBED COCC#CCN1CCCO[C@H](CNC(=O)C2=COCCO2)C1 1149126077 YJAFGUMQGZQWJS-CQSZACIVSA-N 324.377 -0.269 30 20 DBED C=CCN1CCCO[C@@H](CNC(=O)CN2CCOCC2=O)C1 1149854521 LRACKFBAYGUTCF-ZDUSSCGKSA-N 311.382 -0.762 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1ccc2nccnc2c1 1150339979 UDZPLWCUDIONFU-UHFFFAOYSA-N 312.333 -0.411 30 20 DBED C=CCNC(=O)CNCCNC(=O)C1CCN(C(C)=O)CC1 1150526972 VKXZSDYFWRGRMV-UHFFFAOYSA-N 310.398 -0.747 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1ccc(COC)cc1 1150635983 OOZUJVROZWJIKH-UHFFFAOYSA-N 303.362 -0.098 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)c1cnns1 1152114843 UNCXJAXZZPHULZ-SNVBAGLBSA-N 309.395 -0.272 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@H](C(C)C)N1CCCC1 1152474060 ZDWXNXPHUMYQIL-CABCVRRESA-N 322.453 -0.050 30 20 DBED CCN(CC#N)[C@H](C)CNC(=O)[C@@H](C)NS(=O)(=O)CC 1153492341 YGVHKRCZAHESAV-GHMZBOCLSA-N 304.416 -0.336 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)c1ccc(O)nn1 1154395035 YEQTUTVPGGNFRF-SNVBAGLBSA-N 305.338 -0.970 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)[C@@H]2COCCO2)C1=O 1154859277 ZWDOXINHFQPVGP-OLZOCXBDSA-N 311.382 -0.715 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)[C@H]1CCN(C)C(=O)C1 1161155608 HPIBUOZEZHLXLU-OLZOCXBDSA-N 324.425 -0.359 30 20 DBED CO[C@@H](C)CC(=O)NCCC1(CNCC(=O)NCC#N)CC1 1163736175 RAXNQXQYFZMORO-LBPRGKRZSA-N 310.398 -0.073 30 20 DBED C=CCNCC1(CCNC(=O)C[C@H](NC(C)=O)C(N)=O)CC1 1167398935 COOANIMXFCBBQZ-LBPRGKRZSA-N 310.398 -0.571 30 20 DBED C=CCNC(=O)CNCCCNC(=O)C(C)(C)S(C)(=O)=O 1167547375 WTDYRTMDIJVOCR-UHFFFAOYSA-N 319.427 -0.792 30 20 DBED C=CCNC(=O)CNCCCC[C@@H](C)NC(=O)c1nc[nH]n1 1175787311 UGVGKPDPKFEQAE-LLVKDONJSA-N 308.386 -0.015 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)C3(C(=O)N(C)C)CC3)C[C@H]21 1177132849 WMDIITCASUKGIS-KGLIPLIRSA-N 319.405 -0.210 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)c2cn(C)cn2)[C@H]1C 1178472763 DHYPEUDSOQIUEK-RYUDHWBXSA-N 305.382 -0.085 30 20 DBED COCC#CCN[C@H]1CCN(C(=O)[C@H]2CC(=O)N(C)C2)[C@H]1C 1178814334 QYGMQHPOBQQJMM-IHRRRGAJSA-N 307.394 -0.307 30 20 DBED C[C@](O)(CC(=O)N1CC[C@@H](NCC(=O)NCC#N)C1)C1CC1 1182051104 HUGGDUSFOXQXRJ-DOMZBBRYSA-N 308.382 -0.632 30 20 DBED N#CCNC(=O)CN[C@@H]1CCN(C(=O)c2cnc3n2CCC3)C1 1183353972 JQSBWIYBPMWEKO-LLVKDONJSA-N 316.365 -0.727 30 20 DBED C#CCNC[C@@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C[C@H]1C 1185750536 JZGLANHFNOLAOB-NEPJUHHUSA-N 318.381 -0.916 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CCCC(=O)N2C)C1 1187491842 UVUNNMWXHHXOJF-CHWSQXEVSA-N 322.409 -0.510 30 20 DBED C=CCOCCN1C[C@@H]2CCN(C(=O)[C@H]3CCNC3=O)[C@@H]2C1 1188760319 XCIBDNSNUWQEBB-MELADBBJSA-N 307.394 -0.142 30 20 DBED Cc1ncc(C(=O)N2CC[C@@H](N(C)CC(=O)NCC#N)C2)[nH]1 1189354541 PVWBRENIMPBCBA-LLVKDONJSA-N 304.354 -0.496 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2cnc(C)[nH]2)C1 1189371806 SGMPGMBLODOIFL-GFCCVEGCSA-N 303.366 -0.386 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)CN2CCOCC2)C1 1189717708 SSNFYFBPUMDAFO-AWEZNQCLSA-N 324.425 -0.847 30 20 DBED C=CCOCC(=O)N[C@@H]1CN([C@@H](C)c2csnn2)C[C@H]1O 1191777031 CXLJHYRLVSBHSE-HOSYDEDBSA-N 312.395 -0.037 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN([C@@H]2CCCN(C)C2=O)C[C@H]1O 1192761863 PHMIXBGLKNGVBA-MGPQQGTHSA-N 307.394 -0.572 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)CCc2c(C)ncnc2O)C1 1194399546 JBGDULUPLVVZPI-ZIAGYGMSSA-N 318.377 -0.392 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CN(CCOC(C)C)C[C@H]2O)nn1 1196765203 QXBMUPWRPSJCJZ-TZMCWYRMSA-N 323.397 -0.336 30 20 DBED C=CCCCN1C[C@@H](O)[C@H](NC(=O)CCn2cnccc2=O)C1 1197333753 FVDLTWQNKDFTNZ-ZIAGYGMSSA-N 320.393 -0.239 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)CNC(=O)c2ccco2)C1 1198352085 ATIXLACRIBLGNG-VXGBXAGGSA-N 307.350 -0.253 30 20 DBED CSCC(=O)N1CCCO[C@H](CNCC(=O)NCC#N)C1 1199764088 WVSGJPAGUNUMIZ-LLVKDONJSA-N 314.411 -0.804 30 20 DBED C#CCCNC1CCN(C(=O)[C@H](C)NS(=O)(=O)CC)CC1 1200686437 PZVIYDYYTSSHLT-LBPRGKRZSA-N 315.439 -0.082 30 20 DBED Cn1ncnc1COCC(=O)N1CCCO[C@H](CNCC#N)C1 1201759189 SVIMHQNWBBHANH-GFCCVEGCSA-N 322.369 -0.938 30 20 DBED C#CCNC[C@H]1CN(C(=O)[C@H]2CN(CC)CCO2)CCCO1 1202114718 ALMKPVKPUCUGJN-LSDHHAIUSA-N 309.410 -0.453 30 20 DBED CNC(=O)NCC(=O)N[C@H]1C[C@@H](NCC#CCOC)C12CCC2 1203005407 NULBJIKUHQQJTI-OLZOCXBDSA-N 322.409 -0.418 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCN(C(=O)c2ccc(O)nn2)C1 1207193356 WSCVAAXAGDZQSH-SNVBAGLBSA-N 318.337 -0.984 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)c2cccn2C)C1 1207327510 ASDUYTRREUYCOC-CYBMUJFWSA-N 302.378 -0.031 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCN(C(=O)CO[C@H]2CCOC2)C1 1208022072 UGTHTYHDSDVOTM-OLZOCXBDSA-N 324.381 -0.988 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@H](C)CC(N)=O)C1 1208980356 QWXXHMDJGJQAOE-VXGBXAGGSA-N 310.398 -0.619 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)c2ccco2)[C@H](OC)C1 1211766351 YMQWBADRXBETLS-YRGRVCCFSA-N 319.361 -0.154 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@H](C)NC(C)=O)C[C@H]1C 1214094454 IXWYLKAIBBHVRR-NTZNESFSSA-N 310.398 -0.750 30 20 DBED C[C@@H]1CN(C(=O)[C@]2(C)CCCOC2)C[C@H]1NCC(=O)NCC#N 1216090186 BQOSYWOWOBLGFM-XJKCOSOUSA-N 322.409 -0.121 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)CCCCN(C)C)C[C@H]1C 1216463326 DRGIYXPHSYTVEG-HUUCEWRRSA-N 322.453 -0.096 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C2=COCCC2)C1 1219326615 UDNMTIYMRQXPIQ-OLZOCXBDSA-N 309.366 -0.856 30 20 DBED C#CCCCC(=O)N[C@@H]1CN([C@H](C)C(=O)NCC#C)C[C@@H]1O 1219541169 FIQAEEYJULSONQ-MCIONIFRSA-N 305.378 -0.911 30 20 DBED C=C(Cl)C(C)(C)C(=O)N[C@@H]1CN([C@@H]2CCNC2=O)C[C@@H]1O 1219703221 XLAMVXILVDZYJC-MXWKQRLJSA-N 315.801 -0.185 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)COCc2ccncc2)C1 1220615496 FPXBQFLZAIWCAH-CABCVRRESA-N 303.362 -0.217 30 20 DBED COCC#CCN1CC[C@@H]2CN(C(=O)C(=O)NCC3CC3)[C@@H]2C1 1221903489 JYEPFLFWEPDPBL-HUUCEWRRSA-N 319.405 -0.305 30 20 DBED C#CCN1CCC(CNC(=O)CN2CCC(=O)NC2=O)CC1 1225095149 QQHPHUUZUYTJLN-UHFFFAOYSA-N 306.366 -0.610 30 20 DBED CN(CCCNC(=O)CSCC#N)Cc1nc(=O)n(C)[nH]1 1234146678 NMEVRALQSOQEMF-UHFFFAOYSA-N 312.399 -0.697 30 20 DBED C[C@@](C#N)(NC(=O)CN1CCC2(CC1)NC(=O)NC2=O)C1CC1 1253743390 DNEOUMSLGTUUMI-AWEZNQCLSA-N 319.365 -0.531 30 20 DBED CN1CCN(C)[C@@H](CNC(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)C1 1261446530 BUHWJTRXKGAHAH-XQQFMLRXSA-N 307.398 -0.843 30 20 DBED CNC(=O)Cn1nc(NC(=O)C(=O)N(C)C[C@H](C)C#N)cc1C 1320573835 FPPAULYJKDBTDB-SECBINFHSA-N 320.353 -0.506 30 20 DBED C=CCN1CC[C@H](N(C)Cn2ncc3cn(C)nc3c2=O)C1=O 1321170836 RWQKEMYNYLKDPK-LBPRGKRZSA-N 316.365 -0.194 30 20 DBED C=CCSCCNC(=O)C(=O)N[C@@H](C)CS(=O)(=O)CC 1323610437 YYGWVMWVZKRCSV-JTQLQIEISA-N 322.452 -0.039 30 20 DBED C[C@@H](NC(=O)C(=O)N1CCC(C)(C#N)CC1)[C@@H]1CN(C)CCO1 1324279635 FHWXWLBMIOOFKD-OLZOCXBDSA-N 322.409 -0.026 30 20 DBED C=CCn1cc(CNC(=O)C(=O)NCc2cccn2C)nn1 1325925947 QKNACYPDHMCHOC-UHFFFAOYSA-N 302.338 -0.265 30 20 DBED C=C[C@H](CO)NC(=O)C(=O)Nc1cnc2c(c1)c(C)nn2C 1327473882 WFMNSAIPRWJHGT-SECBINFHSA-N 303.322 -0.122 30 20 DBED N#C[C@H]1CC[C@@H](NC(=O)C(=O)N2CCN([C@H]3CCOC3)CC2)C1 1328527696 ZHMCIYUKSHPQEA-MJBXVCDLSA-N 320.393 -0.272 30 20 DBED C#CCCNC(=O)C1(C(=O)NCCC#C)C[C@@H]1S(C)(=O)=O 1329733435 RMHDWQUOQLWIDQ-NSHDSACASA-N 310.375 -0.931 30 20 DBED CCNC(=O)[C@H](C)NC(=O)C(=O)Nc1cc(C)c(C#N)cn1 1329897488 FVPHFXKCUWDDKG-VIFPVBQESA-N 303.322 -0.159 30 20 DBED C=CCOCCNC(=O)C(=O)N1CCO[C@@H](COCC)C1 1331458430 UPQNUQYGRAJELX-GFCCVEGCSA-N 300.355 -0.431 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N(CCO)CC(C)(C)C)nn1 1332058321 PLGLCWHNOHFCFX-UHFFFAOYSA-N 323.397 -0.053 30 20 DBED C[C@H](O)CC(C)(C)CNC(=O)C(=O)N1CC[C@](O)(CC#N)C1 1332243241 IOYNXCWTDJPMFS-XHDPSFHLSA-N 311.382 -0.223 30 20 DBED C#CCOCCNC(=O)C(=O)N[C@@H](c1cnn(C)c1)C(C)C 1333309748 TVEBAIJILUUNBE-CYBMUJFWSA-N 306.366 -0.001 30 20 DBED C=CCn1c([C@@H]2CCCN2C)nnc1N1CCO[C@@H](C(N)=O)C1 1339774347 LGSVJNYNFMORPJ-NWDGAFQWSA-N 320.397 -0.079 30 20 DBED COCCN1CCN(C(=O)C(=O)NCC2(CC#N)CC2)CC1 1343810980 VDYLEXCSDXEPSJ-UHFFFAOYSA-N 308.382 -0.413 30 20 DBED C#CCN1CCC[C@H](NC(=O)C(=O)Nc2nnn(C)c2C)C1 1353465864 URJYVLUWWCZOKN-NSHDSACASA-N 304.354 -0.724 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)[C@H]2CCCS2(=O)=O)CC1 1379081424 LDDOJUMMMFAQQH-VHSXEESVSA-N 313.379 -0.512 30 20 DBED CCc1cnc(O)c(C(=O)NC[C@H](O)CNC(=O)[C@@H](C)C#N)c1 1389131004 UFLWGRCPYPCEFI-GXSJLCMTSA-N 320.349 -0.284 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)CCc2cnn(C)c2)C1 1396379955 WKWOBPMRWITYQU-CYZMBNFOSA-N 319.365 -0.800 30 20 DBED C[C@H](C#N)C(=O)N1CC(CNC(=O)CCCS(C)(=O)=O)C1 1398782555 FXPNQLKWSLMUBD-SNVBAGLBSA-N 315.395 -0.455 30 20 DBED CO[C@@H](C(=O)NCCN(C)C(=O)[C@@H](C)C#N)c1cnn(C)c1 1408636842 QBXBNSVZKVVNPN-CMPLNLGQSA-N 307.354 -0.158 30 20 DBED N#CCCN(CCN1CCOCC1)C(=O)C[C@H]1CCC(=O)NC1 1412469632 DZWNCINWJHNHJX-CQSZACIVSA-N 322.409 -0.023 30 20 DBED CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccnc(C#N)c1 1413882875 KRKIECOFFBKPET-SNVBAGLBSA-N 308.363 -0.307 30 20 DBED COCc1nn(C)cc1C(=O)NC[C@H](C)NC(=O)[C@H](C)C#N 1430621277 MPQCFQDBCAKNSS-ZJUUUORDSA-N 307.354 -0.039 30 20 DBED CCCN(CCNC(=O)[C@@H](C)C#N)C(=O)Cn1ncn(C)c1=O 1431836211 QRVBFNYXXHBLFH-NSHDSACASA-N 322.369 -0.904 30 20 DBED COCCN(CCC#N)c1nnc(C)n1CCS(C)(=O)=O 1434705720 BFXPZKFYCDFHEP-UHFFFAOYSA-N 315.399 -0.002 30 20 DBED COCCN(CCNC(=O)[C@@H](C)C#N)C(=O)c1ccncn1 1444964519 MSBYZFNYKHJLKS-NSHDSACASA-N 305.338 -0.159 30 20 DBED COC(=O)NCC(=O)NC[C@H](C)CNC(=O)c1cc(C#N)c[nH]1 1451506584 KOGCMJHJYFUKEF-VIFPVBQESA-N 321.337 -0.276 30 20 DBED Cc1noc(C)c1CCC(=O)NC[C@H](O)CNC(=O)[C@H](C)C#N 1457976602 AIHLLEAWYLRGJG-SKDRFNHKSA-N 322.365 -0.023 30 20 DBED C=C(Cl)CN1CCOC[C@H]1CNC(=O)[C@H](C)NC(N)=O 1501773381 QRDJSGIUYMNVFI-VHSXEESVSA-N 304.778 -0.387 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@H]2CNC(=O)Cc2nc[nH]n2)c1 1505901653 PRIBAEKQYYTQGX-JTQLQIEISA-N 313.321 -0.422 30 20 DBED CCn1cnnc1Cn1c(C)nnc1N1CCO[C@H](C#N)C1 1515792988 UDSYSMPADPBJGQ-LLVKDONJSA-N 302.342 -0.025 30 20 DBED N#Cc1nc(N)n(C[C@@H]2CCCS(=O)(=O)C2)c1-c1nn[nH]n1 1581878665 WTBMULFPYCUMQZ-ZETCQYMHSA-N 322.354 -0.658 30 20 DBED CC(=O)NCCN([C@@H](C)C(=O)O)S(=O)(=O)CC(C)(C)C#N 1588508726 QADKVVPFHVNFPC-VIFPVBQESA-N 319.383 -0.223 30 20 DBED C=C[C@@H](C(=O)O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1588663444 NIGAXQJIOSWVLM-NEPJUHHUSA-N 318.395 -0.248 30 20 DBED CC#CC[C@H](CO)NC(=O)Cc1ccc(-c2nn[nH]n2)nc1 1588738448 OMHFGZZCKJEYHI-LLVKDONJSA-N 300.322 -0.305 30 20 DBED CCN([C@H](C)C(=O)O)S(=O)(=O)N(CCC#N)CCOC 1589713350 NQLOJAKWRUVGBC-SNVBAGLBSA-N 307.372 -0.112 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NS(=O)(=O)[C@H](C)C(=O)O 1602755415 SRWRPQXOHKXCCP-APPZFPTMSA-N 306.340 -0.624 30 20 DBED C[C@H](NC(=O)N1CCN(CCC#N)CC1)[C@@H]1CN(C)CCN1C 1649314233 XHBKZCOAXPXOMC-GJZGRUSLSA-N 322.457 -0.138 30 20 DBED N#CCC1(O)CN(C(=O)[C@H]2CNC(=O)C[C@@H]2C(F)(F)F)C1 1649949823 LXNRMSFWGXHKFG-YUMQZZPRSA-N 305.256 -0.212 30 20 DBED C[C@@H]1CCN(CC(=O)N2CC[C@@H](CNCC(=O)NCC#N)C2)C1 1752952342 WWMIQNXTUKLNTL-KGLIPLIRSA-N 321.425 -0.594 30 20 DBED C#CCNC(=O)[C@@H](C)NCCN(C)C(=O)c1cnc2n1CCC2 1753199977 WVFCFHONUJVVCC-GFCCVEGCSA-N 317.393 -0.371 30 20 DBED C=CCN(C)C[C@H]1CCN(C(=O)CCS(=O)(=O)NC)C1 1753349561 RMTCXGGZBUDRFD-GFCCVEGCSA-N 303.428 -0.108 30 20 DBED C#CCNC(=O)[C@@H](C)NC/C=C/CNC(=O)c1nnn(C)c1C 1754105676 OHROJZBNPDQXDR-XUIVZRPNSA-N 318.381 -0.863 30 20 DBED COCC#CCNCCCN(C)C(=O)[C@H](C)[C@H]1CCC(=O)N1 1754396502 QIZZHWXXVFWWPR-ZIAGYGMSSA-N 309.410 -0.011 30 20 DBED C=C(C)CCNC[C@H](NC(=O)CN1C(=O)CNC1=O)C1CC1 1754460190 NBAAOAHDWUEKAS-LBPRGKRZSA-N 308.382 -0.011 30 20 DBED C=CCNC(=O)CNC[C@@H]1CCCN1C(=O)[C@H]1CCC(=O)NC1 1754613655 SDUPVJBHPHZDEL-STQMWFEESA-N 322.409 -0.605 30 20 DBED Cn1cnn(CCC(=O)N[C@@H]2C[C@H]3C[C@@H](C2)N(CC#N)C3)c1=O 1754785905 RRABZBWFYWLWNU-XQQFMLRXSA-N 318.381 -0.535 30 20 DBED C=CCNC1CCN(CCNC(=O)[C@@H]2CCN(C)C2=O)CC1 1754850483 JQKIOAKLYDQKBV-AWEZNQCLSA-N 308.426 -0.179 30 20 DBED N#CCNC(=O)CN1CCOC[C@@H]1CNC(=O)C1=CCCC1 1754965130 ISWOSZGBCOHJMS-ZDUSSCGKSA-N 306.366 -0.447 30 20 DBED C#CCNC(=O)CN(C)[C@@H](C)CNC(=O)c1ccc(OC)nn1 1755322888 CXRRTAMDEPDCPR-NSHDSACASA-N 319.365 -0.715 30 20 DBED C=CCNC(=O)CN[C@@H](C)CN(C)C(=O)[C@@]1(C)CCNC(=O)C1 1755592868 MSKPHTPMISQOMM-LRDDRELGSA-N 324.425 -0.359 30 20 DBED CC1(C)CN(C(=O)c2cnns2)C[C@@H]1NCC(=O)NCC#N 1755752731 KHTSHSHBBFWUCL-JTQLQIEISA-N 322.394 -0.382 30 20 DBED C#CCCNC[C@H](O)CN(C)C(=O)c1noc2c1COCC2 1755795666 IGNXYJQKQISCQV-NSHDSACASA-N 307.350 -0.207 30 20 DBED C#CCNCCOCCN(C)C(=O)Cc1nc2ncccn2n1 1755878674 QLFSQOAVGBFAAP-UHFFFAOYSA-N 316.365 -0.635 30 20 DBED C[C@H](C#N)C(=O)NCC1=CCN([C@H](C)C(=O)NC(N)=O)CC1 1755884207 MEQCPYYNVDTIRD-NXEZZACHSA-N 307.354 -0.522 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCNC1=O)N(C)C(=O)c1cc(C#N)c[nH]1 1756054943 YGGBXIHNFFQKNV-ONGXEEELSA-N 317.349 -0.401 30 20 DBED C=CCOCC(=O)N[C@H]1CN(C(=O)c2ncn(C)n2)CC1(C)C 1756174653 KAZMMSPSLAVJHY-NSHDSACASA-N 321.381 -0.016 30 20 DBED C=CCn1cc(C(=O)N[C@@H](CO)CNC(=O)[C@H](C)C2CC2)nn1 1756511371 ZJLHKURQSIRABJ-ZYHUDNBSSA-N 321.381 -0.283 30 20 DBED O=C(C#CC1CC1)NC[C@@H](CO)NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 1756519081 BCLYDRCACSSDCN-YNEHKIRRSA-N 316.361 -0.480 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)c2ccc(OC)o2)C[C@@H]1O 1757162585 SHEOKVYBADGRLP-MNOVXSKESA-N 324.333 -0.208 30 20 DBED N#C[C@@H]1CN(c2nnnn2CCCN2CCOCC2)CCO1 1771936576 BBYXVEYYWDWQOR-GFCCVEGCSA-N 307.358 -0.876 30 20 DBED COC(=O)c1cc(/C=C\C(=O)c2cn(CC(=O)O)nn2)n(C)n1 1777114880 CWWASZJVACNXNU-ARJAWSKDSA-N 319.277 -0.221 30 20 DBED N#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(=O)C1CC1)C2 1795416654 GYFUSZDUWSRQJH-DABQJJPHSA-N 319.361 -0.141 30 20 DBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnco3)C2)C1 1839806309 JRNWZQAITALLNW-OAHLLOKOSA-N 319.317 -0.622 30 20 DBED CN1CCN(CC(=O)N2CCCC23CN(C(=O)CC#N)C3)CC1 1843914245 NJGOSPQHUYLKSH-UHFFFAOYSA-N 319.409 -0.649 30 20 DBED C#CC(=O)N1CCCC12CN(C(=O)CNC(=O)c1ccco1)C2 1845958787 XENGYWNKLLDGIW-UHFFFAOYSA-N 315.329 -0.154 30 20 DBED CN(CC(N)=O)C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 46979049 DPJHBZSOAKQLGV-UHFFFAOYSA-N 324.362 -0.878 30 20 DBED C#CCN1CCN(C(=O)CN2CC[C@H](N3CCCC3)C2)CC1 81670571 OTANYFRSPNFOOU-INIZCTEOSA-N 304.438 -0.066 30 20 DBED COC(=O)[C@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1C#N 157086888 QIPATPWGWMLPIQ-GHMZBOCLSA-N 310.331 -0.145 30 20 DBED CNS(=O)(=O)c1cc(C(=O)n2ncc(C#N)c2N)c(C)o1 176061096 HSLUSSGFNUMUSG-UHFFFAOYSA-N 309.307 -0.165 30 20 DBED CN(CC#N)C(=O)Cn1cc(Br)c(O)nc1=O 263792192 KEPNAOCCBKLFDO-UHFFFAOYSA-N 301.100 -0.307 30 20 DBED N#Cc1cccc(CS(=O)(=O)N2CCO[C@@H](C(N)=O)C2)c1 264483891 MHFXIEPCTGANJK-GFCCVEGCSA-N 309.347 -0.426 30 20 DBED COC(=O)CCN(CC(C)C)c1c(C#N)c(=O)n(C)c(=O)n1C 268439273 GRJCZYDEHOUYDJ-UHFFFAOYSA-N 322.365 -0.019 30 20 DBED C=CCNC(=O)CNC(=O)C(=O)Nc1cc(C)cnc1OC 272018448 MVTRIMNWQLSDQE-UHFFFAOYSA-N 306.322 -0.244 30 20 DBED N#Cc1ncn(CCNC(=O)N2CC(=O)N[C@H]3CCCC[C@H]32)n1 288007060 XXQXQANNWXWRPD-WDEREUQCSA-N 317.353 -0.398 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(C2CC2)C2COC2)C1=O 295784364 QLPJUSULIMPXKS-UHFFFAOYSA-N 307.306 -0.647 30 20 DBED O=C(NCC#CCO)[C@H]1COCC(=O)N1Cc1ccccc1 298983293 PIFXHHUDLMCSAQ-CQSZACIVSA-N 302.330 -0.474 30 20 DBED C/C(O)=N/[C@H]1CCCN(C(=O)CN2CCn3c(O)nnc3C2)C1 330028958 PHUCMFJXZFRYRE-NSHDSACASA-N 322.369 -0.233 30 20 DBED C[C@H](O)C[C@@H]1COCCN1/C(O)=N/[C@@H](C)CS(C)(=O)=O 330976680 HPZQPDNRYPGVTN-GARJFASQSA-N 308.400 -0.195 30 20 DBED C[C@]1(CNS(=O)(=O)N2CCO[C@H](C#N)C2)CCCC[C@H]1O 337070651 OEOOEBUOBAPXMS-JHJVBQTASA-N 317.411 -0.014 30 20 DBED C=CCN1CC[C@@H](N(C)CC(=O)N[C@H](C)C(=O)N(C)C)C1=O 337228763 RHAYGFZACFGSHJ-VXGBXAGGSA-N 310.398 -0.702 30 20 DBED CC#CCN(C)CC(=O)N(CCOC)[C@H]1CCS(=O)(=O)C1 339759078 YYLJTKVEYUHFLQ-ZDUSSCGKSA-N 316.423 -0.396 30 20 DBED Cn1nc(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)cc1C1CC1 354186614 DYEHCZDKCORGME-JTQLQIEISA-N 303.322 -0.013 30 20 DBED CCOC(=O)CN(C)C(=O)CSc1nnc(CC#N)n1C 357076443 VMVQBEOVVJPKBM-UHFFFAOYSA-N 311.367 -0.005 30 20 DBED N#CCNC(=O)CNC(=O)N1CCc2ccccc2[C@H]1CO 358313140 NETFCXPYNGZIKS-CYBMUJFWSA-N 302.334 -0.073 30 20 DBED C[C@H]1CN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)C[C@@H]1O 359427986 NNTTXPXRBKLLSC-ONGXEEELSA-N 319.365 0.287 30 20 DBED C=C[C@H](CO)NC(=O)N[C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C 359464953 FJYJOOIZRDMIEP-JTNHKYCSSA-N 321.381 -0.072 30 20 DBED N#CC1(NC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 365384568 AURPWSNPMHNIAK-GFCCVEGCSA-N 306.366 -0.661 30 20 DBED C[C@@]1(C2CC2)NC(=O)N(CC(=O)N2CC(O)(CC#N)C2)C1=O 369814540 QWDFLGSPRRXTKY-ZDUSSCGKSA-N 306.322 -0.806 30 20 DBED C#CCNC(=O)N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 370140880 DAPGBUMRPALDJY-GFCCVEGCSA-N 317.411 -0.298 30 20 DBED N#Cc1ccc(OCCNC(=O)C(=O)N2CC[C@H](N)C2)cc1 419469891 XEUQITMYMDVNGJ-LBPRGKRZSA-N 302.334 -0.387 30 20 DBED COC[C@H]1CCCCN1S(=O)(=O)N1CCO[C@H](C#N)C1 452089413 DNKWMVHFPYNTII-VXGBXAGGSA-N 303.384 -0.044 30 20 DBED C#CCN(CC#N)S(=O)(=O)c1ccc(-n2cnnn2)cc1 490839664 JELHVJVIJZSRNM-UHFFFAOYSA-N 302.319 -0.190 30 20 DBED C#CCNC(=O)CN1CCN(CC(=O)Nc2nccs2)CC1 491126385 NPMAHPGZZCUROG-UHFFFAOYSA-N 321.406 -0.551 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)C[C@H](C)n2ccnc2)CC1 491726747 AQMPJTVOLGIQQW-AWEZNQCLSA-N 317.393 -0.272 30 20 DBED N[C@H]1C[C@H]2CN(C(=O)NCC#Cc3ccccc3)CCN2C1=O 568294576 WENYNJXEOBIJQY-GJZGRUSLSA-N 312.373 -0.009 30 20 DBED Cc1cc(C#N)c(=O)n(CC(=O)NCC(=O)N2CCCC2)c1 568761354 QCMCTYRQUGMQOX-UHFFFAOYSA-N 302.334 -0.233 30 20 DBED C[C@H]1CN(CCNC(=O)C(=O)Nc2cccc(C#N)n2)CCO1 572999551 GUAPKAXLLPTEGK-NSHDSACASA-N 317.349 -0.271 30 20 DBED COC(=O)Cc1csc(NC(=O)NCC(=O)NCC#N)n1 586787341 NUZOCQVZAAQWFO-UHFFFAOYSA-N 311.323 -0.380 30 20 DBED N#Cc1ccc(S(=O)(=O)N2CC(N3CC[C@@H](O)C3)C2)cc1 593649904 MFGVSIWQMCVXSX-CYBMUJFWSA-N 307.375 -0.002 30 20 DBED CN(C)c1cncc(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)c1 602022363 FHBDSJYDQKIENI-LBPRGKRZSA-N 303.322 -0.163 30 20 DBED N#CCCN1CCN(C(=O)CN2CCCC[C@@H](O)C2=O)CC1 602200325 KOYKUJYFXYQIOF-CYBMUJFWSA-N 308.382 -0.582 30 20 DBED C=CCCn1cc(C(=O)NCCCS(=O)(=O)NC)nn1 629336018 MWRRUUNYXQVPHO-UHFFFAOYSA-N 301.372 -0.477 30 20 DBED CC#CCCNC(=O)N1CCN(S(=O)(=O)N(C)C)CC1 681541121 GTRBBRFNITYLMT-UHFFFAOYSA-N 302.400 -0.467 30 20 DBED C=CCOCC(=O)NS(=O)(=O)c1ccc2c(c1)C(=O)NCC2 735405521 LNWSZNMOHMQODA-UHFFFAOYSA-N 324.358 -0.020 30 20 DBED C=C(Br)CN1C(=O)[C@@H]2CN(C(N)=O)CCN2C1=O 748693154 IIPPQYSJYFRREY-ZETCQYMHSA-N 317.143 -0.078 30 20 DBED CNC(=O)[C@H](O)CNS(=O)(=O)c1ccc(C#N)c(Cl)c1 757729412 TVMBYPPKOOECTJ-SNVBAGLBSA-N 317.754 -0.403 30 20 DBED COC[C@H](C#N)OC(=O)CNS(=O)(=O)c1c(C)noc1C 785052536 QFDIOSSCTZCUGW-VIFPVBQESA-N 317.323 -0.348 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)[C@@H]1COCCN1CC(F)F 786946103 KOOHAJFEQLFBDQ-UWVGGRQHSA-N 304.293 -0.367 30 20 DBED C#C[C@H](NC(=O)NC1CC(NS(C)(=O)=O)C1)[C@H]1CCCO1 801052216 YDMFEILWKXTJSP-MMVSWEMESA-N 315.395 -0.453 30 20 DBED C=CCOC[C@H]1NC(=O)N(CCS(=O)(=O)CC=C)C1=O 804182505 CHZIYMXFLWPDPJ-SNVBAGLBSA-N 302.352 -0.290 30 20 DBED CC(=O)N/C(=C\c1ccccc1)C(=O)NCC(=O)NCC#N 804821650 XJSSDUXIVPXAPJ-LCYFTJDESA-N 300.318 -0.080 30 20 DBED C#CC[C@@H](CO)NC(=O)CN1CCN(c2ccccn2)CC1 820060055 SLTQQLOBIWUPPD-AWEZNQCLSA-N 302.378 -0.296 30 20 DBED CN(C)C(=O)CN1CCN(C(=O)[C@@](C)(C#N)CC(=O)O)CC1 820530358 FCMZKYCKKFXEHE-CQSZACIVSA-N 310.354 -0.777 30 20 DBED C=CCCn1cc(C(=O)NS(=O)(=O)[C@H](C)C(=O)OC)nn1 820600776 IURLNXCDMVXFAT-MRVPVSSYSA-N 316.339 -0.525 30 20 DBED C#C[C@@H](NC(=O)C(F)(F)C(=O)N1CCOCC1)[C@H]1CCCO1 836209299 YAVPJTXLASYZLQ-GHMZBOCLSA-N 316.304 -0.223 30 20 DBED CCON(C)C(=O)CNS(=O)(=O)N(CCC#N)CCOC 846005093 YAVLVUQOEIHGHJ-UHFFFAOYSA-N 322.387 -0.907 30 20 DBED C=C(C)CONC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 846537357 INIGKPGAJAWJQR-GHMZBOCLSA-N 316.379 -0.354 30 20 DBED C#CCN(CC(=O)O)S(=O)(=O)c1cnc2c(c1)c(C)nn2C 849219180 LVJXEIHPASRHLL-UHFFFAOYSA-N 322.346 -0.015 30 20 DBED C#CC[C@H](CCOC)NC(=O)N[C@H]1CS(=O)(=O)C[C@@H]1OC 859018469 VOPHGIKDYNMTNP-WOPDTQHZSA-N 318.395 -0.474 30 20 DBED C#CC1(O)CN(C(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]23)C1 890521533 IXZXXIRJCRKQFA-GMXVVIOVSA-N 323.418 -0.081 30 20 DBED C=CCN1CC[C@@H](N(C)Cc2cn(CC(=O)OC)nn2)C1=O 899187269 BWXVKBRHUBKRNG-GFCCVEGCSA-N 307.354 -0.330 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C2CN([C@H]3CCN(C)C3=O)C2)CC1 941348827 QSAIKALKUGMRGB-OCCSQVGLSA-N 319.409 -0.795 30 20 DBED C[C@H](C#N)C(=O)N1CCC(NC(=O)[C@H]2CCNC(=O)C2)CC1 948096305 JMFVMACZXDPJHY-MNOVXSKESA-N 306.366 -0.221 30 20 DBED C=CCN1CC[C@H](N2CCN(C(=O)Cn3nccn3)CC2)C1=O 948545314 NANIFQWCJDNDAP-ZDUSSCGKSA-N 318.381 -0.791 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]1CNC(=O)c1ccc(=O)n(C)n1 952185751 YQIIUOGCWXSWBI-VHSXEESVSA-N 303.322 -0.729 30 20 DBED C=CCn1cc(C(=O)N(C)C2CN(C(=O)CC(C)(C)O)C2)nn1 954308581 WVFFISTXGNLEPY-UHFFFAOYSA-N 321.381 -0.092 30 20 DBED CC(C)(C)n1cnc(C(=O)NC[C@H]2CN(CC#N)C[C@H]2O)n1 958409971 XSOGEKUVCCNHTC-WDEREUQCSA-N 306.370 -0.421 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cc3c(nc2O)CCC3)C1 958668606 YXEKTEYXLFWLOC-SWLSCSKDSA-N 315.373 -0.068 30 20 DBED C#CCCN1C[C@@H](O)[C@H](CNC(=O)c2cc(C(N)=O)ccn2)C1 958769461 IXYKSVDASNWYOJ-TZMCWYRMSA-N 316.361 -0.774 30 20 DBED N#CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)C1CS(=O)(=O)C1 960270923 JEKKYBVBCBRKFC-ZIAGYGMSSA-N 319.386 -0.074 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)c1ccncn1 964317216 CEUIHKGZWSQSNS-GHMZBOCLSA-N 303.322 -0.407 30 20 DBED C[C@H](C#N)C(=O)N1CCC2(CC1)C[C@@H]2NC(=O)c1nnn(C)n1 964671907 NGUDNHQJNFQIHE-ZJUUUORDSA-N 317.353 -0.519 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(C[C@@H](NC(=O)Cn3cccn3)CO2)C1 965615963 HUSRNXWSHAYCIU-NWDGAFQWSA-N 317.349 -0.471 30 20 DBED C=CCn1cc(C(=O)N[C@H]2COC3(C2)CN(C(=O)CC)C3)nn1 965714470 ZBLMAVRFMUJLSR-LLVKDONJSA-N 319.365 -0.026 30 20 DBED C#CCNC1CC2(C1)CC(NC(=O)c1cn(CC(N)=O)nn1)C2 965933119 OCZSTZAXPBTTHS-UHFFFAOYSA-N 316.365 -0.973 30 20 DBED C[C@@H]1CN(C(=O)CC(N)=O)C[C@@H]1NC(=O)c1c[nH]c(C#N)c1 966252070 UVMNURDQHLAXCM-KCJUWKMLSA-N 303.322 -0.662 30 20 DBED C[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1NC(=O)c1nc[nH]n1 966328975 AFDIUTFADPWNQG-KWQFWETISA-N 313.321 -0.105 30 20 DBED C#CCCN1CC[C@H](C)[C@H](NC(=O)Cn2ncn(C)c2=O)C1 967032596 NGKLAUONKKLRCD-QWHCGFSZSA-N 305.382 -0.568 30 20 DBED C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2nnc(O)nc2O)C1 967258312 PKIPRUDOYZVYRM-ZJUUUORDSA-N 305.338 -0.254 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)C1CN(C(=O)C(N)=O)C1 968009216 JTLHWMFNHQVXDY-NEPJUHHUSA-N 309.366 -0.488 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)CSC)C[C@@H]2O)cn1 969351675 WGAJJOJTXPCXBV-OLZOCXBDSA-N 319.386 -0.273 30 20 DBED CN(CC#N)[C@H]1CCN(C(=O)[C@H]2CCc3nnc(O)n3C2)C1 971816997 CVBJUZZYZSUYPQ-QWRGUYRKSA-N 304.354 -0.398 30 20 DBED N#CCN1CCCC2(C1)CN(C(=O)CN1C(=O)CCC1=O)C2 982144157 ZYSZROKULHVGJS-UHFFFAOYSA-N 304.350 -0.417 30 20 DBED CC(C)(C(N)=O)C(=O)N1CC(NC(=O)c2cc(C#N)c[nH]2)C1 990707594 DHJDKIPUAUQFNL-UHFFFAOYSA-N 303.322 -0.662 30 20 DBED C=CCn1cc(C(=O)NC2CN(C(=O)Cc3ncc[nH]3)C2)nn1 991673184 KBJTWQAYHHRPCN-UHFFFAOYSA-N 315.337 -0.630 30 20 DBED C#CCCN1CCC[C@@H](NC(=O)Cn2ncn(C)c2=O)[C@@H]1C 993515666 SURMZJNIUIZHKF-QWHCGFSZSA-N 305.382 -0.426 30 20 DBED CC#CCN1CCC[C@H](NC(=O)CN2CCNC(=O)C2)[C@@H]1C 993695616 BDOOFKTXCYEYDM-KBPBESRZSA-N 306.410 -0.589 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H](NCCN2C(=O)CNC2=O)C1 998750419 DDUQWMAGVMDBCD-GHMZBOCLSA-N 307.354 -0.722 30 20 DBED C#CCN1CC[C@@H](n2cc(CNC(=O)c3cncnc3)nn2)C1 999987275 XQNOHGIQWHDKIE-CQSZACIVSA-N 311.349 -0.122 30 20 DBED C[C@@H](NC(=O)[C@@H]1CN(C)CCO1)C1CN(C(=O)C#CC2CC2)C1 1005846919 AUWWLYFLILSMDE-DOMZBBRYSA-N 319.405 -0.307 30 20 DBED C[C@@H](NC(=O)c1c[nH]c(C#N)c1)C1CN(C(=O)c2cnn[nH]2)C1 1005941637 BKPSQXFXHQPNPB-MRVPVSSYSA-N 313.321 -0.105 30 20 DBED C=C(Cl)CN1CC[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)C1 1015988216 UWLYEIYCTFMVEU-SNVBAGLBSA-N 314.773 -0.177 30 20 DBED CC(=O)N1CCN([C@H]2CCCN(C(=O)[C@H](C)C#N)C2)C(=O)C1 1017876587 XWQRWPJMDHFJRC-YPMHNXCESA-N 306.366 -0.172 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCN(C(=O)[C@H]3CCC(=O)N3)C2)C1 1019361764 QHHQYBKMQUUQMN-GHMZBOCLSA-N 304.350 -0.514 30 20 DBED C=CCOc1cccnc1C(=O)N1C[C@@H](O)[C@H](NC(C)=O)C1 1022852974 IYQKWUCYBHONHZ-VXGBXAGGSA-N 305.334 -0.032 30 20 DBED C=CCN(C)[C@@H]1CCCN(C(=O)c2cn(CC(N)=O)nn2)C1 1027692898 PHJZDFQXUHXSEG-LLVKDONJSA-N 306.370 -0.514 30 20 DBED C#CCCN1[C@H]2CC[C@H]1CN(C(=O)[C@@H]1CN(C(C)=O)CCO1)C2 1029570450 YLFRKKJKWNBECP-JYJNAYRXSA-N 319.405 -0.068 30 20 DBED C#CCN1CCC(C(=O)N2C[C@@H]3CC[C@H](C2)N3CCO)CC1 1029597173 KWGMVOQYBVGGPV-IYBDPMFKSA-N 305.422 -0.001 30 20 DBED C=C(C)CCN1CC(NC(=O)CN2CCCS2(=O)=O)C1 1030402941 DALULSDUZWZCIH-UHFFFAOYSA-N 301.412 -0.212 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)c3nc(C)c[nH]3)C2)C1=O 1031078703 SPONDJPBPNPMRR-LBPRGKRZSA-N 303.366 -0.081 30 20 DBED C=C(Cl)CN1CC(NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 1031116164 DQGABWTUMKCFOJ-UHFFFAOYSA-N 322.756 -0.376 30 20 DBED C=C(Cl)CN1CC(NC(=O)[C@@H]2COCCN2C(C)=O)C1 1031408380 KDVBAQAGWYGGJV-LBPRGKRZSA-N 301.774 -0.213 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCC1CN(Cc2nc(O)n[nH]2)C1 1031987632 UTRXUPGBDDPHCN-MNOVXSKESA-N 307.354 -0.351 30 20 DBED CC1(C)NC(=O)N(CC(=O)N[C@@H]2CCCCN(CC#N)C2)C1=O 1034513273 YCIOHACBTBXTID-LLVKDONJSA-N 321.381 -0.189 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2CN([C@@H](C)C(N)=O)CCO2)cn1 1035581482 JLWAUBXTOHCVDA-SMDDNHRTSA-N 316.361 -0.633 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2CN(CC(=O)NC)CCO2)cn1 1035585849 LSWRFEBBIGZKQV-CQSZACIVSA-N 316.361 -0.761 30 20 DBED Cn1[nH]c(CN2CC[C@H]2CNC(=O)c2c[nH]c(C#N)c2)nc1=O 1038175580 QEQHXQIINFEOAQ-NSHDSACASA-N 315.337 -0.688 30 20 DBED C#Cc1cncc(C(=O)NC[C@H]2CCN2CCS(C)(=O)=O)c1 1038683641 FHFAOCSDVNSIDF-CQSZACIVSA-N 321.402 -0.088 30 20 DBED CC(=O)N1CCO[C@H](C(=O)N2[C@H]3CC[C@H]2CN(CC#N)CC3)C1 1039464969 HBSXVYCUEKGOBQ-KKUMJFAQSA-N 320.393 -0.177 30 20 DBED C[C@H](C#N)C(=O)N1CCC(=O)NCCN(c2ncccn2)CC1 1039664086 WLOZFXWJPCUAHA-GFCCVEGCSA-N 316.365 -0.209 30 20 DBED C#CCN1CCC(C(=O)NC[C@@]2(O)CCN(C(=O)CC)C2)CC1 1040100924 UQBVVEWUFHENAD-KRWDZBQOSA-N 321.421 -0.179 30 20 DBED C=CC(C)(C)C(=O)NC[C@@]1(O)CCN(C(=O)c2cnon2)C1 1040489029 VNQQZRMYPTYGOC-AWEZNQCLSA-N 308.338 -0.025 30 20 DBED CC(C)C#CC(=O)N1CC[C@](O)(CNC(=O)Cc2nc[nH]n2)C1 1040969129 UHJKBQCFJXSGNY-HNNXBMFYSA-N 319.365 -0.914 30 20 DBED N#Cc1cnc(N2C[C@@H](O)[C@H](NC(=O)c3ccncn3)C2)cn1 1041130699 UCVUGOKGMGKHTM-VXGBXAGGSA-N 311.305 -0.882 30 20 DBED C#CCN1CC[C@]2(CCN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)C1 1041369331 YQOVLARQUXBFJH-NHYWBVRUSA-N 304.350 -0.858 30 20 DBED Cc1cnoc1C(=O)N1CC(O)(CNC(=O)CSCC#N)C1 1041571127 WYFGTOFDIZAFTF-UHFFFAOYSA-N 324.362 -0.457 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)CCn2ccnn2)C1 1042776899 BJWYFUJZQAPSCL-UHFFFAOYSA-N 319.365 -0.839 30 20 DBED C[C@@H]1C[C@H](NCC#N)CCN1C(=O)c1cc(=O)n2[nH]cnc2n1 1044821232 UWEMUKRVCFEYEO-NXEZZACHSA-N 315.337 -0.476 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@H]2C[C@@H]2C)C1 1044901762 KUXXDSUPIZVCMH-IHRRRGAJSA-N 319.405 -0.571 30 20 DBED C=C[C@H](CC)CC(=O)NCC1(O)CN(C(=O)C2(C(N)=O)CC2)C1 1045069393 UKINMZCJPYDZBN-LLVKDONJSA-N 323.393 -0.456 30 20 DBED C=C[C@](C)(CC)C(=O)NCC1(O)CN(C(=O)[C@H]2CCNC2=O)C1 1045782854 LFVBZBDGAOLTBU-XHDPSFHLSA-N 323.393 -0.586 30 20 DBED C#Cc1cncc(C(=O)NCC2(O)CN(C(=O)C(F)F)C2)c1 1046336647 HEJOJRMXCQOJBM-UHFFFAOYSA-N 309.272 -0.369 30 20 DBED C#CCN1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CN(C)C(=O)N2)C1 1046965327 JZTIJONRAMERLH-QWRGUYRKSA-N 314.336 -0.283 30 20 DBED N#CCSCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC(N)=O)C2 1047336127 URPSJLYRRDXGSE-AXFHLTTASA-N 324.406 -0.386 30 20 DBED CC(C)N1CCO[C@@H](C(=O)N(C)[C@H]2CN(CC#N)C[C@@H]2O)C1 1047499790 RMRPHSYNOBHYOB-MELADBBJSA-N 310.398 -0.877 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(C)c2)C1 1048217911 AKPKEMJKLYXRLT-KBPBESRZSA-N 318.377 -0.133 30 20 DBED Cc1conc1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)C#N)C1 1049393575 CJZLMUNVZZMILI-LSJOCFKGSA-N 306.322 -0.214 30 20 DBED Cc1nccc(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)C#N)C2)n1 1049401462 FNEJBJINRJIZAS-XDTLVQLUSA-N 317.349 -0.412 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cn2cncn2)C1 1049594729 PCACFULQNIRBIA-RYUDHWBXSA-N 307.354 -0.726 30 20 DBED C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC(=O)NC(=O)N1 1049756029 SKYQZNRPLIBZTE-QJPTWQEYSA-N 306.366 -0.164 30 20 DBED N#CCN1C[C@@H]2CCCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)[C@@H]2C1 1050138670 PRFPFPJDGJEDCK-QNWHQSFQSA-N 306.366 -0.534 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)C[C@@H]1NC(=O)NC1=O)C2 1050547840 LCDUZBTWOYUZFM-NSHDSACASA-N 304.350 -0.858 30 20 DBED N#CCN1CCOC[C@H]1CNC(=O)c1nccn2ccnc12 1051122007 ZPQWYGOKHBQKPO-LLVKDONJSA-N 300.322 -0.317 30 20 DBED C#CCN1CCN([C@H]2CCN(C(=O)c3nnn(C)c3C)C2)CC1 1052002612 IPABSTSWUYWWAU-AWEZNQCLSA-N 316.409 -0.411 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H](CNC(=O)COCC)[C@@H](C)C1 1052390761 HRJNSLOXOOSDNT-STQMWFEESA-N 323.393 -0.627 30 20 DBED Cc1cc(C#N)nc(N2C[C@@H]3CN(C(=O)C(N)=O)C[C@]3(C)C2)n1 1052545824 BBGXCDDVEXZVKJ-ZUZCIYMTSA-N 314.349 -0.573 30 20 DBED C=CCn1cccc1C(=O)N1CCOC2(CN(CC(N)=O)C2)C1 1053288864 PQPXZYUDMWEFEQ-UHFFFAOYSA-N 318.377 -0.314 30 20 DBED C=CCCN1CC2(C1)CN(C(=O)[C@@H](C)S(C)(=O)=O)CCO2 1053310112 WWBZETYLHLXMST-GFCCVEGCSA-N 316.423 -0.091 30 20 DBED C#CCNC(=O)CC(=O)N[C@@]1(CO)CCCN(C(=O)CCC)C1 1055896631 KUJKPBOLAWNWFD-INIZCTEOSA-N 323.393 -0.604 30 20 DBED N#Cc1cnccc1N1C[C@H]2C(NC(=O)[C@H]3CCNC3=O)[C@@H]2C1 1056354861 AICYXGXZLIOSAT-QJPTWQEYSA-N 311.345 -0.360 30 20 DBED CSCC(=O)NCCN(CCO)C(=O)c1c[nH]c(C#N)c1 1057391610 FUFBSARHPFNBJQ-UHFFFAOYSA-N 310.379 -0.200 30 20 DBED O=C(NCCN(CCO)C(=O)C#CC1CC1)c1n[nH]cc1F 1057535752 VZVXHSMBYRJQCW-UHFFFAOYSA-N 308.313 -0.487 30 20 DBED C=C[C@H](CC)CC(=O)NCCN(CCO)C(=O)Cn1nccn1 1057702365 SDMAFNZDGKEXEN-CYBMUJFWSA-N 323.397 -0.183 30 20 DBED Cc1ncc(CC(=O)N(CCO)CCNC(=O)[C@H](C)C#N)o1 1057872594 HAFIGSVBJKXRHW-SNVBAGLBSA-N 308.338 -0.378 30 20 DBED N#Cc1nccnc1N1CCC[C@@H](NC(=O)Cn2ncnn2)C1 1058197017 MCCARGVFILCVQT-SNVBAGLBSA-N 313.325 -0.880 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)[C@@H]1[C@H]2COC[C@H]21 1058447608 BLZIRXQIGYVXPG-NHAGDIPZSA-N 308.378 -0.381 30 20 DBED Cc1ncnc(O)c1C(=O)N(CCO)CCNC(=O)[C@H](C)C#N 1058478372 BBPCGFLCOIBSJM-SECBINFHSA-N 321.337 -0.799 30 20 DBED N#Cc1nc(=NC[C@@H]2CCCN(C(=O)c3cnn[nH]3)C2)cc[nH]1 1060106127 RSUOFRFFBJNRAJ-JTQLQIEISA-N 312.337 -0.147 30 20 DBED CCC(=O)NCC(=O)NC[C@@H]1COCCN1C(=O)[C@@H](C)C#N 1061430116 XYRFUWBYCZCSAK-WDEREUQCSA-N 310.354 -0.984 30 20 DBED C#CCCCC(=O)NC[C@@H]1COCCN1C(=O)[C@H]1CCNC1=O 1061533921 FZNLTHMPKITSIK-OLZOCXBDSA-N 321.377 -0.730 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)Cc1cnoc1 1061801078 PHENDHNMBDNWTL-JQWIXIFHSA-N 306.322 -0.280 30 20 DBED CCn1cc(C(=O)N2CCOC[C@H]2CNC(=O)[C@H](C)C#N)nn1 1061848339 PUXWQQWGMJBZEF-GHMZBOCLSA-N 320.353 -0.585 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)c1csc(O)n1 1061850449 GOQKVXDLZZLRSF-IUCAKERBSA-N 324.362 -0.034 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H]1CCCCN1C(=O)c1cnn[nH]1 1062271969 NNHDMYQFMYHDMV-VXGBXAGGSA-N 319.365 -0.046 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(NC(=O)c2cnn(C)n2)CCC1 1062870127 UFAQURHWLWQLPM-AWEZNQCLSA-N 321.381 -0.089 30 20 DBED C[C@@H](N=c1cc[nH]c(C#N)n1)[C@@H]1CCCN(C(=O)C(N)=O)C1 1063904415 LAZHFAXSGWKRRS-NXEZZACHSA-N 302.338 -0.706 30 20 DBED Cn1cc(C(=O)N[C@@H]2[C@H]3C[C@H]2N(c2nccnc2C#N)C3)nn1 1064241270 DRDFWZRSAWMMGB-XXILOJSOSA-N 310.321 -0.516 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)[C@H](C)NC(C)=O)CCO1 1064815585 YNSWUDNHXCGFIC-AAEUAGOBSA-N 311.382 -0.179 30 20 DBED COCC(=O)NC[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)CCO1 1065064278 WTMFWUHCDOMYMJ-LBPRGKRZSA-N 306.322 -0.510 30 20 DBED C=CCCOCC(=O)N1CCO[C@@H](CNC(=O)CCOC)C1 1065278571 LGLCNEBSVYJMDJ-ZDUSSCGKSA-N 314.382 -0.041 30 20 DBED C[C@@]1(NC(=O)[C@@H]2CCNC2=O)CCN(c2cncc(C#N)n2)C1 1065312576 SIWBBTPRTNOHOH-IAQYHMDHSA-N 314.349 -0.431 30 20 DBED C[C@@]1(CN=c2cc[nH]c(C#N)n2)CCN(C(=O)c2cnn[nH]2)C1 1065510140 LPXVIGNICZXDPD-AWEZNQCLSA-N 312.337 -0.147 30 20 DBED Cc1nc[nH]c1CC(=O)NC[C@H]1CN(C(=O)[C@H](C)C#N)CCO1 1065556395 HEUGJMXZZYOZMB-PWSUYJOCSA-N 319.365 -0.236 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CN(C(=O)CCCCC(N)=O)CCO1 1065618025 NARIJAOOUFFCIE-RYUDHWBXSA-N 324.381 -0.465 30 20 DBED N#Cc1cncc(N2C[C@H]3CC[C@H]2CN3C(=O)Cn2cncn2)n1 1068043803 IUPCCABEHJUSFO-QWHCGFSZSA-N 324.348 -0.180 30 20 DBED C=CCCCC(=O)N1CC2(CN(C(=O)CC(N)=O)CCO2)C1 1068363286 LFLCXLDTHWIIRE-UHFFFAOYSA-N 309.366 -0.342 30 20 DBED C=CCN[C@@H]1CN(C(=O)[C@]2(C)CCNC2=O)C[C@@H]1n1ccnn1 1070272298 GOJFYJXCDNYIEN-TYNCELHUSA-N 318.381 -0.668 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)c4cn(C)c(O)n4)C[C@@]3(C1)O2 1070850330 LAZAXKJKAYGFGO-HWWQOWPSSA-N 316.361 -0.326 30 20 DBED C=CCCC(=O)N1C[C@H](C)[C@@H](NC(=O)CCn2cnnn2)C1 1071790805 LODTUFCWNSNVMT-RYUDHWBXSA-N 306.370 -0.008 30 20 DBED C=CCOCC(=O)N1C[C@H](C)[C@@H](NC(=O)CNC(=O)C2CC2)C1 1071808191 FPVDICYMDKBCCY-AAEUAGOBSA-N 323.393 -0.322 30 20 DBED C#CCOCCC(=O)N[C@H]1CN(C(=O)c2cnnn2C)C[C@@H]1C 1072003445 QNBBPZDBKOGGQT-RYUDHWBXSA-N 319.365 -0.568 30 20 DBED N#CCN1CCC2(C1)CN(C(=O)C1CC3(C1)NC(=O)NC3=O)C2 1073052428 SCYZQEJTEXFPFG-UHFFFAOYSA-N 317.349 -0.968 30 20 DBED C[C@H](C#N)C(=O)NC1(C)CCN(C(=O)[C@H]2CN(C)C(=O)N2)CC1 1073181759 BWDDCIGLFBNHIP-GHMZBOCLSA-N 321.381 -0.333 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)C2CCN(C(N)=O)CC2)C1 1073885922 BVPWPQPLJANTKH-AWEZNQCLSA-N 322.409 -0.383 30 20 DBED C=CCCC(=O)N1CC[C@@H](NC(=O)Cn2ncnn2)[C@@H](C)C1 1073976783 GOQLJIJNGAEHCP-NWDGAFQWSA-N 306.370 -0.008 30 20 DBED CC#CCN1CCO[C@@H]2CCN(C(=O)CCn3cncn3)C[C@H]21 1074171483 VKWSDTNURDSUNE-HUUCEWRRSA-N 317.393 -0.007 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H](C)CCNC(=O)CS(C)(=O)=O 1075818113 BXSFLUIWVOVEQG-WDEREUQCSA-N 318.395 -0.920 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)COC(C)C 1075834984 YIGNCCGVINXHIA-LBPRGKRZSA-N 311.382 -0.438 30 20 DBED Cn1cc(C(N)=O)cc1C(=O)N1CC[C@H]2CN(CC#N)C[C@H]21 1075993181 ICQBALFVMKTWGL-GXFFZTMASA-N 301.350 -0.206 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)[C@H](C)OCC 1076218037 SYCKFDDCIPOQNK-RYUDHWBXSA-N 311.382 -0.438 30 20 DBED C#CCO[C@@H](C)C(=O)NCC[C@H](C)NC(=O)[C@@H]1CCC(=O)N1 1076509265 SOMHQZZDNYZRRH-SRVKXCTJSA-N 309.366 -0.686 30 20 DBED C[C@@H](CCNC(=O)Cn1ncnn1)NC(=O)c1ccc(C#N)[nH]1 1076649787 ZZNSFYWUBIOLIO-VIFPVBQESA-N 316.325 -0.802 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2c[nH]c3ccncc3c2=O)C1 1077072932 ISRDRDMKMQCNOP-CHWSQXEVSA-N 313.317 -0.778 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN2CC(F)(F)F)C1 1078232260 BVXOHQBXGWZYHX-OUAUKWLOSA-N 320.315 -0.302 30 20 DBED C#CCCCC(=O)N(CC)C1CN(C(=O)CNC(=O)NC)C1 1079681966 KDBODTUWFPGKNZ-UHFFFAOYSA-N 308.382 -0.222 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2cocn2)C[C@H]1O 1081346065 CWBYWCHAGYCCQH-ZYHUDNBSSA-N 309.322 -0.574 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2cc[nH]c2)C[C@@H]1O 1081346883 NRRLIAFGUMQASN-OLZOCXBDSA-N 307.350 -0.234 30 20 DBED C=C(C)CCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2nc[nH]n2)C1 1081654737 ZSAFLXGJZPZXDN-GHMZBOCLSA-N 307.354 -0.290 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2cc([C@H]3CCCN3C)[nH]n2)C1 1083477620 WMWPUXJIMUZBDO-KFWWJZLASA-N 317.393 -0.416 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2ccc3c(c2)NC(=O)CO3)C1 1083540839 BVUWIAYYJUXPRV-NEPJUHHUSA-N 316.317 -0.684 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@H]2CN(C(C)C)CCO2)C1 1083723611 RKLVUBMDXUQSPS-QLFBSQMISA-N 309.410 -0.720 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCC(=O)N(C)C2)C1 1084094200 RGTYIRIQHIGJAK-MJBXVCDLSA-N 309.410 -0.018 30 20 DBED C=CCN1CC[C@H](N2CC[C@@H]3CN(C(=O)COC)[C@@H]3C2)C1=O 1084135865 JJNVPLOPCQVLRU-HZSPNIEDSA-N 307.394 -0.048 30 20 DBED COCCN1C[C@H](C(=O)NC[C@H]2C[C@@H](NCC#N)C2)CC1=O 1086100951 VCRZRZWRCAVOFK-UPJWGTAASA-N 308.382 -0.511 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2C[C@H](N[C@H]3CCNC3=O)C2)nn1 1086499810 YLINCBNDXCKQND-SRVKXCTJSA-N 318.381 -0.549 30 20 DBED N#CCN1CC[C@@H]2CN(C(=O)CCn3cnccc3=O)C[C@@H]2C1 1088153582 BCYBWTNSHFGOON-KGLIPLIRSA-N 315.377 -0.063 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2cnn3c2OCCC3)[C@H](O)C1 1090397886 VAJFNMKOZUKRFA-UONOGXRCSA-N 318.377 -0.146 30 20 DBED C#CCCN1CC[C@@H](NC(=O)Cn2nnnc2C(C)C)[C@@H](O)C1 1090634006 SGKWPQPATQHDHB-OLZOCXBDSA-N 320.397 -0.629 30 20 DBED C=CCN1CC[C@H](NC(=O)c2cnn(CCOC)c2)[C@H](O)C1 1090765148 VIGHLYJORPXBIH-UONOGXRCSA-N 308.382 -0.120 30 20 DBED C=CCCN1CC[C@@H](NC(=O)c2c[nH]c(C(N)=O)c2)[C@@H](O)C1 1090813931 YNLIYDHZMRRLLP-YPMHNXCESA-N 306.366 -0.145 30 20 DBED COC[C@@H](C)C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@@H]1O 1091088514 GWUCBSLKMFYDGF-JLLWLGSASA-N 305.338 -0.704 30 20 DBED N#CCNC1CC(CNC(=O)[C@H]2CN3CC4CC3(CO2)C4)C1 1091151195 PIUHVLSLSBZANA-MHCOZEDOSA-N 304.394 -0.142 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(c2cc(F)ncn2)C[C@H]1O 1092153611 KFEXCQFEOONVRD-WDEREUQCSA-N 310.329 -0.126 30 20 DBED N#Cc1cnc(NC2CC(CNC(=O)CNC(N)=O)C2)cn1 1092188942 BJDNGJUNDSOYNM-UHFFFAOYSA-N 303.326 -0.677 30 20 DBED N#Cc1c(F)cccc1N1C[C@H]2C(NC(=O)CNC(N)=O)[C@@H]2C1 1093210356 MPIUJTZGJOMVPB-NXEZZACHSA-N 317.324 -0.084 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@@H]2CN(c3cccc(F)n3)C[C@@H]12 1093265444 FLEWVKLCOWEIOK-GHMZBOCLSA-N 316.336 -0.089 30 20 DBED CN1CCCC[C@H](C(=O)NCCN=c2cc[nH]c(C#N)n2)C1=O 1093759941 GRPMKMYNCYSPNZ-LLVKDONJSA-N 316.365 -0.443 30 20 DBED C#CCN1CC(n2cc(CNC(=O)c3cnn(C)c3N)nn2)C1 1094286557 GQRVSSOGFJBFPX-UHFFFAOYSA-N 314.353 -0.986 30 20 DBED CC#CCN1CC(n2cc(CNC(=O)c3cn(C)nn3)nn2)C1 1094288637 QBGSEBIYBJCKDC-UHFFFAOYSA-N 314.353 -0.783 30 20 DBED C[C@H]1CO[C@@H](C(=O)NCc2cn(C3CN(CC#N)C3)nn2)C1 1094306934 ZIIXFELMWUXCAZ-ZWNOBZJWSA-N 304.354 -0.300 30 20 DBED N#Cc1cncc(NCCCNC(=O)[C@H]2CCCS2(=O)=O)n1 1094447556 WEBUCWWYDYXFHY-LLVKDONJSA-N 323.378 -0.156 30 20 DBED N#Cc1nccnc1NCCCNC(=O)C(=O)NCC1CC1 1094545422 KARNRTJZAOODPY-UHFFFAOYSA-N 302.338 -0.207 30 20 DBED CC#CCN1CC(N2C[C@H](NC(=O)C[C@@H]3CCOC3)CC2=O)C1 1094717871 PIEQBXYPLXIDBG-UONOGXRCSA-N 319.405 -0.162 30 20 DBED CC#CCN1CC(N2C[C@H](NC(=O)c3n[nH]cc3F)CC2=O)C1 1094784929 JWLWGKNMHHPRDE-SNVBAGLBSA-N 319.340 -0.413 30 20 DBED Cn1cnc(C(=O)NCCCNc2nccnc2C#N)cc1=O 1094865798 WLLDXENPXCNXHT-UHFFFAOYSA-N 313.321 -0.326 30 20 DBED C#CCNC(=O)CC(=O)NCCCN(CC)c1ncccn1 1095859789 QIXGADBLXMHSQZ-UHFFFAOYSA-N 303.366 -0.051 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CCN(c2ncnc3c2nnn3C)C1 1096338028 HZLJEKZTBDLHHK-IUCAKERBSA-N 300.326 -0.387 30 20 DBED C[C@@H](CC(=O)N1CC[C@H](Nc2ccc(C#N)nn2)C1)NC(N)=O 1096961232 RZXOABXNXHBFLU-ONGXEEELSA-N 317.353 -0.192 30 20 DBED COC[C@@H](O)CN(CCO)C1CCN(C(=O)C#CC2CC2)CC1 1098365072 PRXCZHSFQBZGTM-INIZCTEOSA-N 324.421 -0.308 30 20 DBED C#CCCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C[C@@H]1CC(=O)NC1=O 1098523339 WDDFVEHBIOSBQF-LPWJVIDDSA-N 303.362 -0.216 30 20 DBED N#CCSCC(=O)N[C@H]1CCN(Cc2ncccn2)C[C@@H]1O 1099688799 AVAPEOHHQCPKSU-RYUDHWBXSA-N 321.406 -0.215 30 20 DBED C=C(Cl)CN1CC[C@H](NC(=O)CN(C)C(C)=O)[C@@H](O)C1 1099690625 RROWOXJHXRNEIH-RYUDHWBXSA-N 303.790 -0.231 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CCN(Cc2ncccn2)C[C@@H]1O 1099823769 JYBSWBSVODSVCG-KGLIPLIRSA-N 300.362 -0.059 30 20 DBED CC(C)(C)C#CC(=O)N[C@H]1CCN(CCn2cncn2)C[C@H]1O 1099830342 QCCYXJPMQRVFLE-UONOGXRCSA-N 319.409 -0.121 30 20 DBED C#CCN1CC[C@H](NC(=O)CNC(=O)c2ccoc2)[C@H](O)C1 1099847170 IHRCWENVFHYPHK-QWHCGFSZSA-N 305.334 -0.806 30 20 DBED C#CCN1CC[C@@H](NC(=O)CCn2c(C)csc2=O)[C@H](O)C1 1099879300 ILXIBHOQWHIDAE-CHWSQXEVSA-N 323.418 -0.207 30 20 DBED C=CCOCC(=O)NCC1CC(NCCN2C(=O)CNC2=O)C1 1100187801 MYXSZOJCCLDSLH-UHFFFAOYSA-N 324.381 -0.775 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CC(CNC(=O)CCCN(C)C)C1 1100620928 FDPSHIRMFSWGIZ-WLYUNCDWSA-N 322.453 -0.050 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H]2CN(C(=O)CCOC)C[C@]2(C)C1 1101105799 GBNTYEPAKOUDHL-VBQJREDUSA-N 321.421 -0.059 30 20 DBED CCCN(CCNC(=O)[C@@H]1CNC(=O)N1)c1ccc(C#N)nn1 1101235782 HLBOWFGQQPNWJG-NSHDSACASA-N 317.353 -0.638 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)CCc1nc[nH]n1 1101553092 AFWZRXZDFIYCLW-UHFFFAOYSA-N 300.326 -0.609 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1CCNC(=O)CC[C@H]1NC(=O)NC1=O 1103705892 QUZUJBFXJDXCAX-IJLUTSLNSA-N 321.381 -0.428 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)c1nccnc1N 1103875453 YQJGIBHAPSIBKC-VIFPVBQESA-N 312.337 -0.380 30 20 DBED C[C@@H](CNC(=O)[C@H]1COCCO1)CNc1cncc(C#N)n1 1103879269 AJZJFYPKIQJGSQ-ZYHUDNBSSA-N 305.338 -0.072 30 20 DBED C=C(C)CNCc1cn(C2CN(C(=O)c3cnnn3C)C2)nn1 1105224837 FFVXINRUAIECQJ-UHFFFAOYSA-N 316.369 -0.231 30 20 DBED C#CCNCc1cn(C2CN(C(=O)[C@H](CC)NC(C)=O)C2)nn1 1105333183 GSUGAWQHELQZFB-AWEZNQCLSA-N 318.381 -0.701 30 20 DBED COCCCOCC(=O)N1CC(n2cc(CNCC#N)nn2)C1 1105359550 MYGZRGLQWMAPIK-UHFFFAOYSA-N 322.369 -0.672 30 20 DBED C#CCNCc1cn(C2CN(C(=O)CN(C)CCC)C2)nn1 1105366599 ZLUUMRWQKFQNSP-UHFFFAOYSA-N 304.398 -0.274 30 20 DBED CCc1cc(C(=O)NC[C@@H](O)CN=c2cc[nH]c(C#N)n2)n[nH]1 1105778203 OLHOCNKAMVPHCC-JTQLQIEISA-N 315.337 -0.742 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)[C@@H]2CCNC(=O)C2)nc1 1105790645 KUBDDCWGIWVPEI-NEPJUHHUSA-N 317.349 -0.632 30 20 DBED C#CCCCC(=O)NC[C@H](O)CN=c1cc[nH]c(C(=O)OC)n1 1105804455 RPRZMISYNLEBRB-LLVKDONJSA-N 320.349 -0.622 30 20 DBED N#Cc1cccnc1NC[C@H](O)CNC(=O)C[C@@H]1CCC(=O)N1 1105894659 QXVSFQIBARCCOM-NWDGAFQWSA-N 317.349 -0.489 30 20 DBED Cn1ncc(C(=O)NC[C@@H](O)CNc2ccc(C#N)cn2)n1 1105898874 UOQJLJUNIBJZCN-JTQLQIEISA-N 301.310 -0.715 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@@H](O)CNc1ncccn1 1105966958 SFMFRNWFVATHKP-CHWSQXEVSA-N 321.381 -0.164 30 20 DBED C[C@@H]1CC[C@H](C(=O)NC[C@@H](O)CN=c2cc[nH]cc2C#N)O1 1106110488 RZJVAISKUUQWQV-SCDSUCTJSA-N 304.350 -0.168 30 20 DBED C[C@@H]1OCCO[C@@H]1C(=O)NC[C@@H](O)CNc1ncccc1C#N 1106160850 HECCCTANPHKMQV-DRZSPHRISA-N 320.349 -0.354 30 20 DBED C[C@@H]1CN(C(=O)CCCN2C(=O)CNC2=O)C[C@H]1CNCC#N 1106966915 OGRCWHHWOLPQHY-VXGBXAGGSA-N 321.381 -0.474 30 20 DBED C=CCNC(=O)CN1CCO[C@@](C)(CNC(=O)[C@H](C)OC)C1 1107777158 ICGAEZCTWLJTCO-WFASDCNBSA-N 313.398 -0.469 30 20 DBED C[C@]1(CNC(=O)[C@H]2CCCN(C(N)=O)C2)CN(CC#N)CCO1 1108057342 GTGARXIICRIJJY-WFASDCNBSA-N 323.397 -0.492 30 20 DBED COCC(=O)N(C)CC(=O)N[C@H](C)CNc1nccnc1C#N 1108174335 UEPONXJLVCYHOA-SNVBAGLBSA-N 320.353 -0.630 30 20 DBED CC#CCN1CC(N2C[C@@H](NC(=O)COCC3CC3)CC2=O)C1 1108513181 CDDIATDDDXMPTD-AWEZNQCLSA-N 319.405 -0.162 30 20 DBED C=C(C)CN1CC(N2C[C@H](NC(=O)C(C)(C)C(N)=O)CC2=O)C1 1108553689 SYDRTYIPYOIKKD-LLVKDONJSA-N 322.409 -0.525 30 20 DBED N#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCCn1c(O)nnc1O 1110747453 RHMVFDCUGKJSSI-MXWKQRLJSA-N 320.353 -0.285 30 20 DBED CC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCn1ncn(C)c1=O 1110856058 NMGPMJNQSRHFIS-MCIONIFRSA-N 317.393 -0.283 30 20 DBED N#Cc1c[nH]ccc1=NCCN(CCO)C(=O)c1csnn1 1111532904 UHXBRNFSOYCMPH-UHFFFAOYSA-N 318.362 -0.227 30 20 DBED N#Cc1nc(NCCN(CCO)C(=O)C(N)=O)sc1Cl 1111557432 QTITYLXCCCUZFK-UHFFFAOYSA-N 317.758 -0.614 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H]1COCCN1c1cnc(F)cn1 1111699930 FMPVUXMQTNOLFG-NWDGAFQWSA-N 322.340 -0.025 30 20 DBED CCOCC(=O)NC[C@@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1112693047 WIGAGZZYCWYLNT-PWSUYJOCSA-N 305.338 -0.702 30 20 DBED COCC#CCN1CCN(C(=O)c2nnn(C(C)(C)C)n2)CC1 1112868268 KQFQQTRSYXXMFU-UHFFFAOYSA-N 320.397 -0.164 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H](C)N(C)c1cnc(F)cn1 1113566771 ABYQABBCLUXOHZ-JTQLQIEISA-N 307.329 -0.304 30 20 DBED COCC#CCN1CCN(C(=O)[C@@H]2CCN(C(C)=O)C2)CC1 1113588612 SRANROWLCJVXNW-OAHLLOKOSA-N 307.394 -0.351 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H](C)N(C)c1ccc2nnnn2n1 1113724591 DURGJGXLQJUUHU-MNOVXSKESA-N 317.353 -0.502 30 20 DBED C[C@H](CNC(=O)C[C@H]1CCNC1=O)N(C)c1ccnc(C#N)n1 1113755575 GTIFDXYAYBZHKO-GHMZBOCLSA-N 316.365 -0.185 30 20 DBED C[C@H](CNC(=O)[C@]1(C)CNC(=O)C1)N(C)c1cncc(C#N)n1 1113783232 CITZCBOSSVLWKE-BMIGLBTASA-N 316.365 -0.185 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)CCCOCC=C)[C@@H]2C1 1114109614 WYHHIKLPIUGLOY-ZIAGYGMSSA-N 319.405 -0.235 30 20 DBED C[C@](O)(CC(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21)C1CC1 1114149228 RGDZPBRSYOYDAK-OJDYBEQGSA-N 320.393 -0.776 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@H]2CN(CCOCC3CC3)C[C@H]12 1114170791 XKFZCFRHPKEQPV-KBPBESRZSA-N 319.405 -0.401 30 20 DBED C#CCOCCC(=O)NC1[C@H]2CN(Cc3ncnn3C)C[C@H]12 1114266834 XRHHSMUZTCHNNY-RYUDHWBXSA-N 303.366 -0.599 30 20 DBED CN(C)C1(C(=O)N[C@H]2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]32)CCC1 1114401595 UQUWGZVADIYKBJ-IMRBUKKESA-N 319.409 -0.843 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3oncc3C)[C@H]2C1 1115063115 HXIONBQNCOYURZ-PJXYFTJBSA-N 302.334 -0.608 30 20 DBED CC(C)OCCCC(=O)NC1[C@H]2CN(CC(=O)NCC#N)C[C@H]12 1115344480 WXASHERELNXBCO-STQMWFEESA-N 322.409 -0.122 30 20 DBED C[C@H](CN(C)C(=O)[C@@H]1CN(C)CCO1)Nc1ccc(C#N)nn1 1115664109 IKPPGGJBJUCXMH-YPMHNXCESA-N 318.381 -0.062 30 20 DBED C=C[C@@H](COC)NC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 1116617866 YMNQYANNTYHHIB-NSHDSACASA-N 324.381 -0.680 30 20 DBED Cc1noc([C@@H]2CCCN(C(=O)NCC(=O)NCC#N)C2)n1 1117478417 WONOTRORHORGEQ-SNVBAGLBSA-N 306.326 -0.093 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N1CCN(c2cnccn2)CC1 1117581527 MKZGNAJWNPBABH-LBPRGKRZSA-N 319.365 -0.558 30 20 DBED COC[C@H]1CCCCN1C(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1118250960 ZLMGZROWHQPIKA-DOMZBBRYSA-N 309.366 -0.109 30 20 DBED CC(C)(C=NN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C=C[C@H]2O1)S(C)(=O)=O 1119072427 GPSWMZXPKYNLKT-ZYUZMQFOSA-N 312.347 -0.266 30 20 DBED C#CCNC(=O)CNC1CC2(C1)CC(NC(=O)CC(C)(C)O)C2 1121029569 NZJXXXPPIYDIAT-UHFFFAOYSA-N 321.421 -0.086 30 20 DBED CN1CCC[C@@H]1C(=O)NC[C@@H](CO)Nc1ccc(C#N)nn1 1121241290 LWNCHJQQRZESID-NWDGAFQWSA-N 304.354 -0.669 30 20 DBED Cn1ncc(C(=O)NC[C@@H](CO)Nc2ccc(C#N)nc2)n1 1121771713 XCGXTZFTXAGXFD-NSHDSACASA-N 301.310 -0.715 30 20 DBED CN1CC[C@@H](C(=O)N(C)C[C@@H](O)CNc2cncc(C#N)n2)C1 1124353085 TYUDQDQAFSRDGE-YPMHNXCESA-N 318.381 -0.469 30 20 DBED CN(C[C@H](O)CNc1cnc(C#N)cn1)C(=O)Cc1cnoc1 1124689555 UMNOUTZWWVJYIO-GFCCVEGCSA-N 316.321 -0.190 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)[C@@H]1CC12CC2 1124793356 SJBOBMGFYSFOCA-QWRGUYRKSA-N 301.350 -0.199 30 20 DBED C#CCOCCC(=O)N(C)C[C@@H](O)CN(C)c1cc(F)ncn1 1125162551 RMGAKQLQMPSJGC-LBPRGKRZSA-N 324.356 -0.089 30 20 DBED C#CCNC(=O)CC(=O)NCCN[C@@H](C)c1nnc(CC)o1 1125997945 ICPSYMLFVFSROU-JTQLQIEISA-N 307.354 -0.462 30 20 DBED C#CCNC(=O)CC(=O)NCCNCc1cc(CO)ccc1F 1125998718 UFKPJVQTMRZURN-UHFFFAOYSA-N 321.352 -0.337 30 20 DBED C#CCNC(=O)CC(=O)NCCNCc1nc(CC2CC2)no1 1125999131 YJNXSJMNOUEYCW-UHFFFAOYSA-N 319.365 -0.633 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CC(=O)N(CC)C1 1128678552 AODVMDKHXKYRHP-NWDGAFQWSA-N 310.398 -0.749 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCNCc1cc(OC)no1 1129770236 DACULOWNCGWKMO-ZDUSSCGKSA-N 306.366 -0.013 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1cc(C)nnc1CC 1130454278 QMCJXLTYIHQHRC-LBPRGKRZSA-N 317.393 -0.195 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@H](C)CC(N)=O)C[C@H]1c1cn(C)cn1 1130639902 QSZMHTCQYQLOOZ-MBNYWOFBSA-N 317.393 -0.551 30 20 DBED C#CCOCCC(=O)N1CCC(=O)NCCN(CC=C)CC1 1131360431 UQCRYLVGGYHXCL-UHFFFAOYSA-N 307.394 -0.137 30 20 DBED C=CCNC(=O)CN1C[C@H](NC(=O)CN(C)C(C)=O)CC[C@@H]1C 1131829521 HMPSPUAYZUNDEH-GXTWGEPZSA-N 324.425 -0.264 30 20 DBED C#CCNC(=O)CN1C[C@H](NC(=O)Cn2ccnc2)CC[C@@H]1C 1132532303 ASICKMHRJLHKJL-UONOGXRCSA-N 317.393 -0.398 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@H](CC)N(CC)CC 1133690917 WZTDHOUVFACMRR-KBPBESRZSA-N 310.442 -0.050 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)Cc1ccnn1C)NCC(=O)NCC#N 1134223401 FVTHOKGCTYEFGD-NWDGAFQWSA-N 320.397 -0.525 30 20 DBED C=C(C)CN[C@@H](C)C[C@H](C)NC(=O)Cn1ccc(=O)n(C)c1=O 1134540799 LURJXPVNFOBVFU-STQMWFEESA-N 322.409 -0.004 30 20 DBED C#CCN1CCC(C(=O)N[C@H](C)C[C@@H](C)NCC(=O)NC)CC1 1146569643 BORHIYDACDQXFR-ZIAGYGMSSA-N 322.453 -0.050 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CN(Cc2nnnn2C)CCCO1 1149399280 RQQJLXZNINMLAB-GHMZBOCLSA-N 307.358 -0.923 30 20 DBED Cn1cc(CN2CCCO[C@H](CNC(=O)C#CC3CC3)C2)nn1 1149694055 HKUAQQQXZHFZHT-OAHLLOKOSA-N 317.393 -0.064 30 20 DBED CC#CCN1CCCO[C@@H](CNC(=O)C[C@@H]2CCC(=O)N2)C1 1150434666 CWGBUAWGNWXEEQ-KBPBESRZSA-N 307.394 -0.115 30 20 DBED C=CCO[C@H](C)C(=O)NCCNCCCN1C(=O)CNC1=O 1153149026 QMMRRAZBVXGUTL-LLVKDONJSA-N 312.370 -0.775 30 20 DBED CN(CCNCCCNC(=O)CSCC#N)S(C)(=O)=O 1154808904 NICSYBSCHYZCMW-UHFFFAOYSA-N 322.456 -0.770 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCCN[C@@H]1CCCN(C)C1=O 1160198174 VTEONETVWCTWGD-CABCVRRESA-N 320.437 -0.199 30 20 DBED N#CCNC(=O)CNCCCNC(=O)c1ccc2cc[nH]c2n1 1160457648 ZJOKOVAVFDUNFD-UHFFFAOYSA-N 314.349 -0.088 30 20 DBED C=CCNC(=O)CNCCCNC(=O)COCc1ccnn1C 1160746062 YPLDYZHSKCROJA-UHFFFAOYSA-N 323.397 -0.665 30 20 DBED C=C(C)CNCCCNC(=O)Cn1[nH]cc2c(=O)ncnc1-2 1168641330 IQHDJZPOTAFNCL-UHFFFAOYSA-N 304.354 -0.257 30 20 DBED CCN(CCC#N)C(=O)CNCCCNC(=O)c1ccn(C)n1 1176081502 VQUCUTJMUIDHMN-UHFFFAOYSA-N 320.397 -0.108 30 20 DBED CC#CCN[C@H]1CCN(C(=O)[C@@H]2Cc3cncn3C(=O)N2)[C@H]1C 1179213609 FMLQLMIINDKKFE-UBHSHLNASA-N 315.377 -0.032 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H](C)n2cccc2)C1 1182024773 VCSWMPASYKPWGK-ZIAGYGMSSA-N 302.378 -0.011 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)[C@@H](C)S(C)(=O)=O)C1 1183656747 FCLQAUMSEKMCDX-VXGBXAGGSA-N 302.396 -0.740 30 20 DBED C[C@H]1CN(C(=O)CN2CCN(C)C(=O)C2)CC[C@H]1CNCC#N 1184691766 AUHWREOEDJQXOD-KBPBESRZSA-N 321.425 -0.642 30 20 DBED C[C@@H]1CCN(CC(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)C1 1185669198 QOWFZQWOBOVZDL-CHWSQXEVSA-N 307.398 -0.842 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H]2CCN(C(=O)CC(N)=O)[C@@H]2C1 1187397709 MGAWDBWFDDPNKY-SDDRHHMPSA-N 308.382 -0.915 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H](C)c2cnn(C)c2)C1 1188529446 YJSIGTJMRORJCM-TZMCWYRMSA-N 317.393 -0.537 30 20 DBED CN(CC(=O)NCC#N)[C@@H]1CCN(C(=O)Cc2cc[nH]n2)C1 1189498826 CRIMXKJGRVJYGQ-GFCCVEGCSA-N 304.354 -0.875 30 20 DBED COCC#CCN1C[C@@H]2CCN(C(=O)Cn3cncn3)[C@@H]2C1 1190059633 XZVCXUXXEPCESS-UONOGXRCSA-N 303.366 -0.539 30 20 DBED COC1CC(C(=O)N2CC[C@@H](N(C)CC(=O)NCC#N)C2)C1 1190818182 OXKISKMGOCEMNT-OTTFEQOBSA-N 308.382 -0.416 30 20 DBED C#CCCN(C)[C@@H]1CCN(C(=O)CN(C)CC(=O)NC(C)C)C1 1191143805 HPZDWJRQPZHEEV-OAHLLOKOSA-N 322.453 -0.001 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H](C)SC)C1 1191262545 PKMURMZOBDUJFS-HBNTYKKESA-N 301.412 -0.799 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CN(Cc2nc(C3CC3)no2)C[C@H]1O 1191864197 LTIZPBIUPBOMMA-JMJZKYOTSA-N 305.338 -0.232 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)c2ccncc2F)C1 1191952054 MHQWZSYURJQAFT-ZIAGYGMSSA-N 307.325 -0.355 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(Cc2nnnn2C2CC2)C[C@H]1O 1192751771 KNFNMLZSXAOIHK-CHWSQXEVSA-N 318.381 -0.671 30 20 DBED C=C(C)CN(C)[C@@H]1CCN(C(=O)[C@@H](CCC(N)=O)NC(C)=O)C1 1192879063 SVFYGBIDXCSGRF-ZIAGYGMSSA-N 324.425 -0.135 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)[C@H](C)NC(=O)CC)CC1 1195925743 HXJAXEAGDOYLEZ-ZDUSSCGKSA-N 324.425 -0.262 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)C2(C(C)C)CC2)C1 1196076186 YIWUWLPEAHZHOP-MGPQQGTHSA-N 321.421 -0.278 30 20 DBED C#CCN1CCCN(C(=O)[C@H](CCC)S(N)(=O)=O)CC1 1196649004 OLIQKVNIAXZAJE-LBPRGKRZSA-N 301.412 -0.389 30 20 DBED CO[C@@H](C(=O)N1CCCN(CC(=O)NCC#N)CC1)C(C)C 1197028855 KOUGDUWVWCBGJA-CQSZACIVSA-N 310.398 -0.169 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)Cc2cncnc2)[C@H](C)C1 1206909853 AVGKTPPNQICNAM-TZMCWYRMSA-N 315.377 -0.795 30 20 DBED COCC#CCN[C@@H]1CCCN(C(=O)[C@@H]2CCC(=O)NC2)C1 1208475357 TUORPPKMWUYGLE-ZIAGYGMSSA-N 307.394 -0.257 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)[C@H]2OCC[C@H]2C)C1 1209699845 OOSJLHJGOBUFSR-IPYPFGDCSA-N 307.394 -0.259 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)c2ccn(CC)n2)C[C@H]1C 1215778377 IRMCMEJXPPKUGJ-TZMCWYRMSA-N 317.393 -0.298 30 20 DBED Cc1nnc(CN2C[C@H](O)[C@H](NC(=O)CSCC#N)C2)o1 1219219540 AZQFGBPAPBJSPW-ZJUUUORDSA-N 311.367 -0.704 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)CNC(=O)c2ccoc2)C1 1219676806 BNIKTOWCCIQYTH-OLZOCXBDSA-N 307.350 -0.253 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)Cc2cnc(C)o2)C1 1219792458 LTVSVJGTXHFWRM-KGLIPLIRSA-N 307.350 -0.663 30 20 DBED N#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C2(F)CCCC2)C1 1219922773 GBLMEYCPVXYRKA-MNOVXSKESA-N 312.345 -0.930 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)[C@H](C)Cc2cnc[nH]2)C1 1220520412 UFERMSMNBNSLNK-YUELXQCFSA-N 320.393 -0.601 30 20 DBED C#CCOCCC(=O)N1CC[C@H]2CCN(CC(=O)NC)[C@H]2C1 1222670891 HOFCOGDKPHOCJH-KGLIPLIRSA-N 307.394 -0.305 30 20 DBED N#CCN1CC[C@@H]2CCN(C(=O)C(=O)NCC(F)F)C[C@@H]21 1223046256 IDYYUQPSCIYZBB-ZJUUUORDSA-N 300.309 -0.186 30 20 DBED C#CCN1CCC(CNC(=O)CCS(=O)(=O)N(C)C)CC1 1225535024 SPGYIKHLKZACOH-UHFFFAOYSA-N 315.439 -0.271 30 20 DBED C#CCCCC(=O)NC1CCN(CCN2C(=O)CNC2=O)CC1 1227108986 YIDFLUVKTHCWNK-UHFFFAOYSA-N 320.393 -0.078 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC(NC(=O)CCOCC#C)CC1 1227323461 ULEIEDZVJHEKQN-AWEZNQCLSA-N 319.405 -0.255 30 20 DBED CCc1n[nH]cc1C(=O)NC1CCN(CC(=O)NCC#N)CC1 1228124852 ZKUCXYIWTBLWEP-UHFFFAOYSA-N 318.381 -0.194 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 1229280601 JYULCVKRKFVTJQ-KFWWJZLASA-N 319.405 -0.116 30 20 DBED N#CCN1CCS(=O)(=O)[C@@H](CCNC(=O)c2ncccn2)C1 1230512020 GTICIUZUWQCAQP-NSHDSACASA-N 323.378 -0.781 30 20 DBED COCC#CCN1CC[C@@H]1CN(C)C(=O)[C@H]1COCCN1C 1233707215 RWDXLZQPXXLFIU-HUUCEWRRSA-N 309.410 -0.501 30 20 DBED C[C@]1(C#N)CCCN(C(=O)C(=O)N2CCN3CCOC[C@H]3C2)C1 1261328584 KQLJQYFOBBSJRK-CZUORRHYSA-N 320.393 -0.318 30 20 DBED C#CC1CCN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 1261471346 OTRUGZFJVCEVJB-UHFFFAOYSA-N 319.321 -0.221 30 20 DBED C=CCOCCNC(=O)C(=O)N[C@@H]1CCOC[C@H]1OCC 1261669420 KJLIGFWRGWSHSA-VXGBXAGGSA-N 300.355 -0.385 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC[C@@H](O)COC 1267958047 TWLMNCYFRYUEDP-OAGGEKHMSA-N 323.437 -0.328 30 20 DBED CN1CCC2(CC1)NC(=O)N(CN1CCO[C@H](C#N)C1)C2=O 1318566638 BOXHVXYEHDCXBJ-LLVKDONJSA-N 307.354 -0.816 30 20 DBED C=C(C)COCCNC(=O)C(=O)NCCn1cnnc1CC 1323112090 BQDZUYJZBIPLAI-UHFFFAOYSA-N 309.370 -0.334 30 20 DBED N#CCCCNC(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 1323730735 TYCFDSUQMYJXIO-JTQLQIEISA-N 316.383 -0.717 30 20 DBED C[C@@H](Cc1ccncc1)NC(=O)C(=O)N1CCO[C@@H](C#N)C1 1323774795 BAWYMKFTHKZOAL-AAEUAGOBSA-N 302.334 -0.120 30 20 DBED Cc1nnc(O)c(CNC(=O)C(=O)N2CCO[C@@H](C#N)C2)c1C 1324475647 QDBPSDCEKQHAJY-JTQLQIEISA-N 319.321 -0.834 30 20 DBED C=CCN1CC[C@@H](N(C)Cc2nc(CC(=O)NC)no2)C1=O 1325138531 AQZQQRDEFKVVFP-SNVBAGLBSA-N 307.354 -0.423 30 20 DBED C=CCN1CCC(NC(=O)C(=O)N[C@H]2C[C@@H](C(=O)OC)C2)CC1 1325716719 MCNPHKXSMQYSAK-BJHJDKERSA-N 323.393 -0.179 30 20 DBED C=C(CC)CNC(=O)C(=O)NCC(C)(C)NS(C)(=O)=O 1325844176 YBJIFBXGBRZGMK-UHFFFAOYSA-N 305.400 -0.487 30 20 DBED CC#CCCNC(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 1328205972 CGMHSJGLIZHBNL-AWEZNQCLSA-N 307.394 -0.115 30 20 DBED COC(=O)CN(CC#N)C(=O)c1cn(C2CCOCC2)nn1 1330086758 IFUORHSUOVQNBF-UHFFFAOYSA-N 307.310 -0.232 30 20 DBED C=CCN(C(=O)C(=O)N1CCC(C(N)=O)CC1)[C@@H](C)COC 1330462205 FVLIICOYMXDIPA-NSHDSACASA-N 311.382 -0.240 30 20 DBED CN(C[C@H]1C[C@@H](O)C1)C(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1332040505 VDNLLERBSRBGTR-BNOWGMLFSA-N 320.393 -0.586 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N[C@H]1CC(=O)N(C2CC2)C1 1332867237 LSXGHKYVFZWOTD-RYUDHWBXSA-N 321.377 -0.590 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N(CC)[C@H]2CCNC2)nn1 1337486626 XQCZHRAAPMKWKA-LBPRGKRZSA-N 306.370 -0.709 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)N[C@@H]2CCN(C3CC3)C2)C1 1345857292 YNZCMQZRTGOCKR-ABAIWWIYSA-N 306.366 -0.784 30 20 DBED C=CCN(C(=O)c1n[nH]c2c1CNCC2)[C@@H]1CCS(=O)(=O)C1 1346029562 PPIDNNGVCIUUHZ-SNVBAGLBSA-N 324.406 -0.129 30 20 DBED COC(=O)CC(C)(C)NC(=O)CCn1cc(C#N)c(O)nc1=O 1362014625 OAOJCGZMCFRIFQ-UHFFFAOYSA-N 322.321 -0.331 30 20 DBED C[C@@H]1COC[C@@H]1NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1363616821 UMBKYFKXUOSJNB-MFKMUULPSA-N 323.374 -0.012 30 20 DBED N#Cc1ncn(CCNS(=O)(=O)c2cnc3n2CCCC3)n1 1365705333 NVZXVZHFSWVZDN-UHFFFAOYSA-N 321.366 -0.339 30 20 DBED CC(=O)NCC(=O)N1CC[C@H](N(C)C(=O)c2cc(C#N)c[nH]2)C1 1372049975 CSAJIGXNSKASNZ-LBPRGKRZSA-N 317.349 -0.305 30 20 DBED CC[C@@H](C(=O)NC[C@@H](O)CNC(=O)c1cc(C#N)c[nH]1)N(C)C 1376584009 XVRYRUJICGMDLH-AAEUAGOBSA-N 321.381 -0.567 30 20 DBED COc1cc(O)ncc1C(=O)N1CC(NC(=O)[C@H](C)C#N)C1 1389407170 QOUHVMVLZWZLQQ-MRVPVSSYSA-N 304.306 -0.104 30 20 DBED C[C@H](C#N)C(=O)NC1CN(C(=O)c2ccn(CCN(C)C)n2)C1 1398677589 BYLAVTREPGLAKI-LLVKDONJSA-N 318.381 -0.455 30 20 DBED CC1(C)C[C@](C)(NC(=O)Cn2cc(C#N)c(O)nc2=O)C(=O)O1 1413004676 PXVRLHKFPBWAAI-AWEZNQCLSA-N 320.305 -0.579 30 20 DBED C[C@@H](CNC(=O)Cn1ccccc1=O)CNC(=O)[C@H](C)C#N 1416475052 SXGOZMXXBSMESN-NWDGAFQWSA-N 304.350 -0.124 30 20 DBED C[C@@H](CNCC(=O)NC(=O)NC1CC1)CNC(=O)[C@H](C)C#N 1419461587 YOGMZCGTSVBLFJ-VHSXEESVSA-N 309.370 -0.524 30 20 DBED COCCN(CCNC(=O)C1=COCCO1)C(=O)[C@@H](C)C#N 1426055751 PPSPIFSUKHDUGB-NSHDSACASA-N 311.338 -0.375 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1cnn(C(F)F)c1 1431570437 MXAXWSSBFPEUDN-APPZFPTMSA-N 315.280 -0.355 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)c2ccc(=O)n(C)c2)CC1 1433980974 RWCIVSJUELOAIV-JTQLQIEISA-N 302.334 -0.076 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)c2coc(C(N)=O)c2)CC1 1433981991 YZYBVBVFXCDLDI-QMMMGPOBSA-N 304.306 -0.083 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)COc2cccnc2)C1 1445667677 MSLNGKFTQPMNLZ-UHTWSYAYSA-N 318.333 -0.692 30 20 DBED C[C@@H](CN(C)C(=O)c1ncn(C)n1)NC(=O)c1cc(C#N)c[nH]1 1451016818 JCUGJLCSDVUQCD-VIFPVBQESA-N 315.337 -0.095 30 20 DBED C=CCNC(=O)CNC[C@H]1CCCN1C(=O)[C@@]1(F)CCOC1 1483943103 DLHLOGKRIPWNRG-IUODEOHRSA-N 313.373 -0.002 30 20 DBED CC(=O)N(C)CC(=O)N(C)C[C@H](C)NC(=O)c1c[nH]c(C#N)c1 1487713181 AHMSUGODNRPTQO-JTQLQIEISA-N 319.365 -0.059 30 20 DBED C[C@H](C#N)C(=O)NCCN1CCN(C(=O)C2=COCCO2)CC1 1493184378 LNYKLVDJTDEBFF-GFCCVEGCSA-N 322.365 -0.705 30 20 DBED C=C(Cl)CNC[C@H](NC(=O)CS(=O)(=O)NC)C1CC1 1498871733 QSMZMBRNUIYJRW-JTQLQIEISA-N 309.819 -0.228 30 20 DBED N#C[C@H](C(=O)[C@@H]1CCCCO1)C(=O)N1CCS(=O)(=O)CC1 1523861933 KULZAGNRAHCKMJ-MNOVXSKESA-N 314.363 -0.479 30 20 DBED C[C@H](CN(C)C(=O)[C@H](C)C#N)N=c1cc[nH]c(-c2nn[nH]n2)n1 1574693406 HBTXWXGKTCBPPX-RKDXNWHRSA-N 315.341 -0.503 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](CC(=O)O)C2CC2)C1=O 1588832411 MKYAXHQBNHDXTI-VIFPVBQESA-N 323.305 -0.667 30 20 DBED C=CCOC[C@@H](NS(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1O2)C(=O)O 1588867282 YYHVTPLCROHKQG-LNFKQOIKSA-N 305.352 -0.119 30 20 DBED Cn1ncnc1CCCNc1cnc(-c2nn[nH]n2)c(C#N)n1 1592607341 ZAJRVCOFNWJXSW-UHFFFAOYSA-N 311.313 -0.298 30 20 DBED N#Cc1nc(N2CC(=O)N(CC3CC3)C2)cnc1-c1nn[nH]n1 1592704893 SUVARIICXGTJGB-UHFFFAOYSA-N 311.309 -0.456 30 20 DBED CN(CCOCCNC(=O)C#CC1CC1)C(=O)[C@H]1C[C@@H]1C(=O)O 1598498144 ROLHTPSONDVSLM-STQMWFEESA-N 322.361 -0.288 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CC[C@@](COC)(C(=O)O)C1 1603737115 XEGRRJOFOBHQMI-GFCCVEGCSA-N 319.383 -0.110 30 20 DBED CC[C@@](C)(C#N)C(=O)NC[C@]1(C(=O)O)C[C@@H]1S(C)(=O)=O 1604887198 CMKSWMGXFAWZGS-KPXOXKRLSA-N 302.352 -0.070 30 20 DBED N#Cc1c[nH]c(C(=O)N2CCN(C(=O)[C@H]3C[C@H]3C(=O)O)CC2)c1 1608195100 GDQRBYPMFVYPPZ-WDEREUQCSA-N 316.317 -0.109 30 20 DBED N#C[C@]1(F)CCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)nc2)C1 1609494638 IZYSGZUCHIZTSC-LLVKDONJSA-N 323.313 -0.112 30 20 DBED Cn1cc([C@H]2CN(C(=O)CC#N)CCN2C(=O)CC#N)cn1 1649758334 UODKQOVWHXPGSU-GFCCVEGCSA-N 300.322 -0.041 30 20 DBED COCC#CCNC[C@H]1CCCCN1C(=O)Cn1cnnn1 1731544644 OROFIOTUWYSAOA-CYBMUJFWSA-N 306.370 -0.706 30 20 DBED C#CCNC(=O)CN(CC)CCCNC(=O)c1c[nH]nc1C 1752202347 RXUAIJYONFFUTH-UHFFFAOYSA-N 305.382 -0.091 30 20 DBED C#CCCN1C[C@@H]2CC[C@H](C1)N2C(=O)CN(C)S(C)(=O)=O 1752535450 DNVOEJUCMSIFLK-BETUJISGSA-N 313.423 -0.424 30 20 DBED C=CCNC(=O)CN[C@H]1C[C@H](NC(=O)c2cc[n+]([O-])cc2)C1 1752611707 CAUPPZBWBGQQIU-JOCQHMNTSA-N 304.350 -0.527 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1C[C@H](NC(=O)[C@@H]2CCN(C)C2)C1 1752682974 WMWRAKGNZCUUKK-AAVRWANBSA-N 306.410 -0.687 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCCN(C(=O)c2cnon2)C1 1752998888 OPLIXOLIPCJPFM-LLVKDONJSA-N 307.354 -0.092 30 20 DBED C#CCNC(=O)CN1CC[C@@H](CNC(=O)[C@H](CCC)OC)C1 1753131578 YFTRMQXIZMOWBG-KBPBESRZSA-N 309.410 -0.011 30 20 DBED Cc1cc(C(=O)N(C)CCN2CCN(CC#N)CC2)n(C)n1 1753344163 TVFWTAZDBNOIFP-UHFFFAOYSA-N 304.398 -0.058 30 20 DBED C=C[C@](C)(O)CC(=O)NC1CN(CCCS(C)(=O)=O)C1 1753375913 ZOCISMDDGUWCRL-ZDUSSCGKSA-N 304.412 -0.451 30 20 DBED CC[C@@H](CNC(=O)CN1CCC(C)CC1)NCC(=O)NCC#N 1753491346 RIWHZVQQEXVDJH-AWEZNQCLSA-N 323.441 -0.158 30 20 DBED C#CCNC(=O)CNC[C@@H](C)N(C)C(=O)[C@]1(C)CCNC(=O)C1 1753699255 SVCVBAIXLIRQSN-MLGOLLRUSA-N 322.409 -0.911 30 20 DBED C#CCCNC[C@H](C)NC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 1754284178 WSKVVNALUJQSKL-XHSDSOJGSA-N 323.437 -0.016 30 20 DBED CC#CCN1CC[C@](O)(CNC(=O)C(C)(C)S(C)(=O)=O)C1 1754758451 FKORFNDUFHBIFP-AWEZNQCLSA-N 316.423 -0.614 30 20 DBED C=CCOCCN1CC(O)(CNC(=O)c2cnn3c2CCC3)C1 1754768521 PXEWWNUKSSMLPV-UHFFFAOYSA-N 320.393 -0.192 30 20 DBED C=C1CC(C)(C(=O)NCC2(O)CN(Cc3cn(C)nn3)C2)C1 1754774515 QFBPSEUBZSZAFH-UHFFFAOYSA-N 305.382 -0.166 30 20 DBED C#CCN1CC(O)(CNC(=O)c2cccc(-n3cnnn3)c2)C1 1754777358 WPQQPONQMMAEEH-UHFFFAOYSA-N 312.333 -0.928 30 20 DBED CC#CCN1CC(O)(CNC(=O)[C@H](CCCC)NC(N)=O)C1 1754779207 BVWWXOLIBMYTEV-LBPRGKRZSA-N 310.398 -0.600 30 20 DBED N#CCNC(=O)CN1CCOC[C@@H]1CNC(=O)c1ccncc1 1754962995 VVCCFIXTNJCNGC-ZDUSSCGKSA-N 317.349 -0.848 30 20 DBED C=CCN1CCOC[C@H]1CNC(=O)Cn1nnnc1C(C)C 1754973107 WJLIRYVMNICOAK-GFCCVEGCSA-N 308.386 -0.201 30 20 DBED C=CCNC(=O)CN[C@H]1CN(C(=O)c2cn(CC)nn2)C[C@@H]1C 1755117431 FUHXCKLQJHINAV-RYUDHWBXSA-N 320.397 -0.350 30 20 DBED C#CCCN[C@H](C)[C@H](C)NC(=O)c1cn(C)c(=O)n(C)c1=O 1755256949 PXVBMQIAPUXGRE-MNOVXSKESA-N 306.366 -0.796 30 20 DBED C=CCC1(C(=O)NC2(CCO)CN(CCO)C2)CCOCC1 1755338350 RFOJQYKWQPJBCL-UHFFFAOYSA-N 312.410 -0.095 30 20 DBED C=CCC1(C(=O)NC[C@H](CO)NCC(=O)NC)CCOCC1 1755644897 HBABIFJIFBLBMJ-GFCCVEGCSA-N 313.398 -0.828 30 20 DBED CC#CCN[C@@H]1CCN(C(=O)CN2CCN(C)C(=O)C2)[C@@H]1C 1755656471 OJJOLERQIMHEGL-ZIAGYGMSSA-N 306.410 -0.637 30 20 DBED C#CCNC(=O)CNC[C@H]1CC[C@H](NC(=O)CSCC#N)C1 1755730946 PDVVZMVMTZFQJF-STQMWFEESA-N 322.434 -0.133 30 20 DBED C=CCNC(=O)[C@H](C)NC[C@@H](O)CN(C)C(=O)c1nc(C)c[nH]1 1755790927 FKNZFGIZPHJBEW-NWDGAFQWSA-N 323.397 -0.569 30 20 DBED C=CCOCC(=O)NC[C@H](C)N(C)C(=O)[C@H]1COCCO1 1756011635 QWXMLWAREFMRQG-NWDGAFQWSA-N 300.355 -0.433 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)[C@H](C)CNC(=O)c1cn(C)nn1 1756022907 MISSACOOBIWOCX-MNOVXSKESA-N 307.354 -0.570 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H](CO)CNC(=O)/C=C\c1ccc[nH]1 1756516279 YYTPASCDBBZXNP-XBWLEZLWSA-N 319.361 -0.341 30 20 DBED C[C@H]1C[C@H](NC(=O)CNC(N)=O)CN1C(=O)C#CC(C)(C)C 1756589395 DOVUXOHCKCGRRY-QWRGUYRKSA-N 308.382 -0.190 30 20 DBED C#CCCCCC(=O)N[C@@H]1CN(C(=O)CCOCC#C)C[C@H]1O 1756990795 NOBDRQNHUYTAIP-HUUCEWRRSA-N 320.389 -0.092 30 20 DBED C=CCN(CC=C)S(=O)(=O)NC[C@@]1(C(=O)O)CCOC1 1776177330 IOGCTQRNZIIIJZ-LBPRGKRZSA-N 304.368 -0.014 30 20 DBED COCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)S)C2)C1 1783890023 NSTVBDPKPKCCDK-GWCFXTLKSA-N 302.396 -0.219 30 20 DBED C#CC(=O)NC[C@H]1CCN(C(=O)[C@@H](N)CN)[C@@H]1c1cccnc1 1812527928 YELAWDYZWMTAML-VNHYZAJKSA-N 315.377 -0.993 30 20 DBED C[C@H](OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(N)=O 22613073 DDOXFMHEYLXUQN-QMMMGPOBSA-N 311.319 -0.746 30 20 DBED CC(C)N1C(=O)C(=O)N(CC(=O)N(CCC#N)CCC#N)C1=O 49890385 YWFGSIHKBBOLHS-UHFFFAOYSA-N 319.321 -0.158 30 20 DBED N#Cc1cc(C(=O)NCCNS(=O)(=O)c2cccnc2)c[nH]1 181356558 OAWIKGWPBXKDQV-UHFFFAOYSA-N 319.346 -0.010 30 20 DBED C=C(C)C/N=C(\NCC(=O)N(C)C)N[C@H]1CCc2ncnn2C1 262294012 LYCYGFBDOHLWLY-LBPRGKRZSA-N 319.413 -0.208 30 20 DBED C=CCNC(=O)CNC(=O)[C@H]1CC[C@H](C(F)(F)F)NC1=O 271972186 JRDSGVFKNJAFLV-HTQZYQBOSA-N 307.272 -0.138 30 20 DBED C#CCN(C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)C1CC1 274056588 OCMUUABKIFAUEI-UHFFFAOYSA-N 315.333 -0.942 30 20 DBED C#C[C@H](C)NC(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1 274762662 PKKQDPUFUJJRIE-KBPBESRZSA-N 307.394 -0.162 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCC(C)(C)OCC)C1=O 275402336 DZQOQKUMMPZKEN-UHFFFAOYSA-N 311.338 -0.106 30 20 DBED Cn1cc(CN2CCN(C(=O)Cn3cnnn3)CC2)cc1C#N 289722302 HHZFEHIZMAAZLM-UHFFFAOYSA-N 314.353 -0.772 30 20 DBED COC(=O)[C@H](CNC(=O)CNC(=O)c1ccc(C#N)cc1)OC 293924739 HDRVDGWJFDADQQ-LBPRGKRZSA-N 319.317 -0.408 30 20 DBED CCN1CCOC[C@@H]1/C(O)=N/C[C@@](C)(O)CN1CCOCC1 329040371 HZUGYYZAXOZWEK-UKRRQHHQSA-N 315.414 -0.253 30 20 DBED CC(C)N1CC[C@H](/N=C(/O)N2CCS(=O)(=O)CC2)C1=O 329655734 FXHBJGBPSTWYQU-JTQLQIEISA-N 303.384 -0.360 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)NCCN1CCCOCC1 332040943 UGHVRWAABIXZDV-GFCCVEGCSA-N 304.416 -0.223 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N1CC(NC(=O)COC)C1 332077495 XSBHLYYQCAAQGG-SNVBAGLBSA-N 318.399 -0.840 30 20 DBED C=CC[C@@H](CO)CNC(=O)C(=O)Nc1ccn(CC(F)F)n1 341430403 IBPGPUGBRPGVFW-SECBINFHSA-N 316.308 0.388 30 20 DBED CSCC[C@H](NS(=O)(=O)N(C)CCC#N)C(=O)N(C)C 341639605 FTRPTMXXSVMJDV-JTQLQIEISA-N 322.456 -0.124 30 20 DBED Cn1nnnc1SCCC(=O)Nc1nc(C#N)c(C#N)[nH]1 342776408 GYAJBSGIZUAVCA-UHFFFAOYSA-N 303.311 -0.203 30 20 DBED COC(=O)C[C@@H]1COCCN1S(=O)(=O)N(C)C[C@H](C)C#N 344957772 PMNVRQJAHCTWPY-GHMZBOCLSA-N 319.383 -0.413 30 20 DBED Cc1nn(C)c(N2CCN(S(=O)(=O)N(C)C)CC2)c1C#N 349973299 YBUNEYQSANUXJY-UHFFFAOYSA-N 312.399 -0.471 30 20 DBED COCCN(CC(=O)N(C)C)C(=O)Cc1noc(C)c1C#N 354746669 WDFVIUGXXXNDKA-UHFFFAOYSA-N 308.338 -0.040 30 20 DBED N#C[C@@H]1COCCN1C[C@@H](O)CN1C(=O)c2ccccc2C1=O 362485591 OWGSFBYBJNHFEU-VXGBXAGGSA-N 315.329 -0.132 30 20 DBED Cn1c(N[C@H]2CCO[C@@]3(CCOC3)C2)c(C#N)c(=O)n(C)c1=O 378415558 OJSMMUYMIAJQES-BONVTDFDSA-N 320.349 -0.294 30 20 DBED COC(=O)CN(CC#N)C(=O)CNC(=O)c1cccc(O)c1 427474606 UIDFXDOLDQJSFS-UHFFFAOYSA-N 305.290 -0.353 30 20 DBED C#CCN(CC#CC)C(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1 490800443 QYABAMRYYISOOP-GFCCVEGCSA-N 322.390 -0.428 30 20 DBED CN(C)S(=O)(=O)N(C)CC(=O)N(CCC#N)CCC#N 515304805 YUTZBEABCVIMAF-UHFFFAOYSA-N 301.372 -0.619 30 20 DBED CC#CC[C@@H](CO)NS(=O)(=O)N1CCC[C@@H]1C(=O)OCC 592110383 CGXUNSPBMPWLGF-NWDGAFQWSA-N 318.395 -0.377 30 20 DBED COC(=O)[C@@H]1C[C@@H](O)CN(S(=O)(=O)N(C)[C@@H](C)CC#N)C1 592111819 CVOQXOOADKHBMB-HBNTYKKESA-N 319.383 -0.679 30 20 DBED CCS(=O)(=O)N1CCC[C@@H](C(=O)[C@@H](C#N)C(=O)NC)C1 729070039 KGGMOABMUMQWEE-NXEZZACHSA-N 301.368 -0.497 30 20 DBED C=CCN(CCC(=O)N(C)CC(=O)O)[C@H]1CCS(=O)(=O)C1 736108590 ILFLEIWGWRWMHE-NSHDSACASA-N 318.395 -0.405 30 20 DBED N#CCOc1ccccc1C(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 764511674 IZJRIKIYJTWFSU-NSHDSACASA-N 314.301 -0.035 30 20 DBED C#C[C@H](NC(=O)[C@H]1CCCN1S(C)(=O)=O)[C@@H]1CCCO1 775326340 DQRBPGANBPZIEU-TUAOUCFPSA-N 300.380 -0.293 30 20 DBED N#C[C@@H]1CN(C(=O)[C@@H](O)[C@H](O)c2nc3ccccc3[nH]2)CCO1 779767919 JSUUHZXZVSJMEP-ICCXJUOJSA-N 316.317 -0.292 30 20 DBED C#CCNC(=O)CN1CCC[C@@H](CN(C)S(C)(=O)=O)C1 796128000 SVGPKMPIKQMBNP-LBPRGKRZSA-N 301.412 -0.661 30 20 DBED CC#CCS(=O)(=O)NC(=O)Cn1ncc2ccccc2c1=O 810776826 JVWRCPGMBILEKJ-UHFFFAOYSA-N 319.342 -0.134 30 20 DBED C#CCCCS(=O)(=O)Nc1ncn(CC(=O)OCC)n1 818286401 SYOGPVNOJJTTFO-UHFFFAOYSA-N 300.340 -0.004 30 20 DBED O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCO[C@H](C(=O)O)C1 819691548 PCAXYMLFBOMDNH-AGKQBQDBSA-N 323.305 -0.785 30 20 DBED N#CCn1cc(NC(=O)[C@@H]2CCCN(S(N)(=O)=O)C2)cn1 824746403 BGLLQGKFFSUZEM-SECBINFHSA-N 312.355 -0.739 30 20 DBED COC(=O)c1cc(S(=O)(=O)N(CC#N)CC(=O)O)oc1C 831337602 AUXQSSBYSJFBBO-UHFFFAOYSA-N 316.291 -0.027 30 20 DBED C#CCN1CCC(C(=O)N2C[C@@H](C(=O)OC)C[C@@H](O)C2)CC1 844109435 GPVMNTSEUORTJQ-UONOGXRCSA-N 308.378 -0.286 30 20 DBED N#Cc1c(NCCN2CC[C@@H](O)C2)cccc1S(N)(=O)=O 858812260 NFWFEGMJBCFPCS-SNVBAGLBSA-N 310.379 -0.316 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2cn(CC)nc2C)CC1 859179149 KGRAMQRPVUZEFK-UHFFFAOYSA-N 317.393 -0.281 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N(C)Cc1nccn1C 875596880 VCYIAJDMEBHLPC-GFCCVEGCSA-N 306.366 -0.077 30 20 DBED CN1CCN(C(=O)C(=O)Nc2cnn(CC#N)c2)CC1(C)C 891008088 OSVPORNFQAZASB-UHFFFAOYSA-N 304.354 -0.102 30 20 DBED CN1C(=O)C(=O)N(CC(=O)NCCC#C[Si](C)(C)C)C1=O 912332265 LYLLWVVRWZOBHF-UHFFFAOYSA-N 309.398 -0.206 30 20 DBED C#CCN1CCC[C@H](NC(=O)CCS(=O)(=O)N(C)C)C1 923567436 SIGNHQHHBIHACL-LBPRGKRZSA-N 301.412 -0.518 30 20 DBED Cn1cnc(C(=O)N[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)n1 937902682 KMQQWOACVOZLKO-JTQLQIEISA-N 313.321 -0.341 30 20 DBED CCN(C(=O)[C@@H]1COC(=O)N1)[C@@H]1CCN(C(=O)C#CC2CC2)C1 942767921 DZMVLBYBACYTHD-OLZOCXBDSA-N 319.361 -0.042 30 20 DBED CC#CCN1CC[C@H](NC(=O)CN2C(=O)CN(C)C2=O)[C@@H](C)C1 944809640 FMYCOLLAENXHRR-STQMWFEESA-N 320.393 -0.270 30 20 DBED CC#CCN1CC[C@H](NC(=O)Cn2ncn(C)c2=O)C[C@@H]1C 947463693 LHMXJAZZIAECQF-STQMWFEESA-N 305.382 -0.426 30 20 DBED C#CCN1CC[C@H](NC(=O)Cn2ccc(O)nc2=O)C[C@@H]1C 947509281 CLTSZGQJJLZLNR-RYUDHWBXSA-N 304.350 -0.449 30 20 DBED CC(C)(C(N)=O)C(=O)N1CC[C@@H]1CNC(=O)c1cc(C#N)c[nH]1 949293230 OPOFRWKYJOOHHD-SNVBAGLBSA-N 317.349 -0.271 30 20 DBED O=C(NC[C@H]1CCN1C(=O)C#CC1CC1)c1nnc(O)nc1O 951298419 YCBYQMAUDQXOLR-SECBINFHSA-N 317.305 -0.973 30 20 DBED CN1CCO[C@H](C(=O)N(C)C2CN(C(=O)C#CC3CC3)C2)C1 953958304 SLHZJDRCWFWIJF-AWEZNQCLSA-N 305.378 -0.600 30 20 DBED C=CCN1C[C@@H](O)[C@@H](CNC(=O)c2cccn3nnnc23)C1 958092280 PUNVMILHYCWTBW-CMPLNLGQSA-N 302.338 -0.667 30 20 DBED C#CCCN1C[C@H](O)[C@H](CNC(=O)c2cn(CC=C)nn2)C1 958471586 MNBNWJPFQJOCEI-OCCSQVGLSA-N 303.366 -0.490 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CN(C(=O)CC3CC3)C[C@@H]2O)c1 962136998 HIAGYOUMQXLVEW-OLZOCXBDSA-N 302.334 -0.012 30 20 DBED C#CCN1CCC(C(=O)NC2[C@@H]3CN(C[C@H](C)O)C[C@@H]23)CC1 962779007 RHRTVKLDDBMZQX-NWANDNLSSA-N 305.422 -0.241 30 20 DBED C[C@H](C#N)C(=O)N1CC(N2CCN(C(=O)[C@H]3CCOC3)CC2)C1 967193302 AFWFRVDBVCSUKV-OLZOCXBDSA-N 320.393 -0.462 30 20 DBED C=CCCn1cc(C(=O)N[C@@H](C)C2CN(CC(=O)NC)C2)nn1 970553064 QVNDAUGNQQUAMG-NSHDSACASA-N 320.397 -0.350 30 20 DBED CCn1cc(CC(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)cn1 970799708 DGMTYKJFMRYBFI-UHTWSYAYSA-N 319.365 -0.707 30 20 DBED C=CCN1CCO[C@]2(CCN(C(=O)c3cc(=O)n(C)cn3)C2)C1 972416876 LHIARHIILLDNHT-MRXNPFEDSA-N 318.377 -0.117 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)Cn3nccn3)C[C@H]21 974970905 RRENXNXAHMTXGZ-IJLUTSLNSA-N 302.338 -0.503 30 20 DBED O=C(N[C@H]1[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]21)c1cnnc(O)c1 976675463 KFWPGKQTUZABDA-JYAVWHMHSA-N 312.329 -0.218 30 20 DBED CN1CCO[C@H](C(=O)NC2CN(C(=O)c3ccc(C#N)[nH]3)C2)C1 990617916 PCQWNPSYMNSTTM-ZDUSSCGKSA-N 317.349 -0.842 30 20 DBED Cc1csc(=O)n1CC(=O)NC1CN(C(=O)[C@@H](C)C#N)C1 991384175 IFLBVTJKEQIEJF-QMMMGPOBSA-N 308.363 -0.295 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@H](NC(=O)Cn2nccn2)[C@@H](O)C1 991505216 WTZWJPITYVDCBP-RYUDHWBXSA-N 321.381 -0.432 30 20 DBED C#CCCN1CC[C@]2(NC(=O)CN3CC(=O)NC3=O)CCC[C@H]12 992313789 ACVSQFDDKJFESJ-BLLLJJGKSA-N 318.377 -0.325 30 20 DBED Cn1cnn(CC(=O)N2C[C@@H]3[C@@H](CCC[C@H]3NCC#N)C2)c1=O 992743002 QRBXPQNOISYGNC-YNEHKIRRSA-N 318.381 -0.678 30 20 DBED C[C@H](C#N)C(=O)N1CC(NC(=O)Cc2ccccc2C(N)=O)C1 997344731 HOAANZVXNZTSQZ-SNVBAGLBSA-N 314.345 -0.185 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC(NC(=O)Cc2cnoc2)C1 998074493 OJIUVPLLBMDOLC-AWEZNQCLSA-N 316.361 -0.358 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)CCn2ccnn2)C1 1000005788 QTUSMQDBLXUJMH-OLZOCXBDSA-N 319.365 -0.414 30 20 DBED COCC(=O)N1C[C@@H]2C[C@@H]3CN(C(=O)[C@@H](C)C#N)C[C@]2(C1)O3 1001573518 WTVSVWSFMHIKHJ-OHTBPHCPSA-N 307.350 -0.379 30 20 DBED COCC(=O)N1CCO[C@@H]([C@@H](C)NC(=O)c2cc(C#N)c[nH]2)C1 1009614059 VKBSZCMBFRHDJM-ZWNOBZJWSA-N 320.349 -0.122 30 20 DBED CC#CCN1CC[C@@H](NC(=O)C2(n3cnnn3)CCOCC2)C1 1015823689 XBWIHSSBZLSNGK-CYBMUJFWSA-N 318.381 -0.607 30 20 DBED C=CCCN1CC[C@H](NC(=O)[C@H]2CCN(C)S2(=O)=O)C1 1015825543 MAUJQIGJRASABE-NWDGAFQWSA-N 301.412 -0.213 30 20 DBED C#CCCN1CC[C@@H](NC(=O)Cc2c(C)nc(O)nc2O)C1 1015895312 JOONYPMGUFAKMB-LLVKDONJSA-N 304.350 -0.047 30 20 DBED C=CCN1CC[C@H](N2CC[C@@H](NC(=O)Cn3ccnc3)C2)C1=O 1016396921 GNQVRKMXNHCRPQ-KGLIPLIRSA-N 317.393 -0.140 30 20 DBED N#CCN1CC[C@@H]2[C@H](CCCN2C(=O)CN2CCOCC2=O)C1 1021605878 OAUYKRHIWQYPRQ-ZIAGYGMSSA-N 320.393 -0.318 30 20 DBED N#Cc1cc(C(=O)N[C@H]2C[C@@H](NCCN3CCNC3=O)C2)c[nH]1 1021991465 QOQHQBTWWGBJFV-TXEJJXNPSA-N 316.365 -0.238 30 20 DBED Cn1cnc(C(=O)N2C[C@@H]3CC[C@H](NCC#N)[C@H]3C2)cc1=O 1026287253 QMKDKJTUQSFWJR-SRVKXCTJSA-N 301.350 -0.256 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)C[C@H]3CCNC3=O)C2)C1=O 1030434003 OYULWSPUNAPWCG-DGCLKSJQSA-N 320.393 -0.900 30 20 DBED CC#CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cn(C)c(=O)n(C)c1=O 1032661005 MUKNNKGZMNZYMC-RYUDHWBXSA-N 316.361 -0.994 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)[C@@H]2CCCc3nn[nH]c32)C1 1035486435 BFZRBMLMWLUSMW-NWDGAFQWSA-N 303.366 -0.325 30 20 DBED C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCS(=O)(=O)N1 1039472982 PAATWQSUUJXEJG-FRRDWIJNSA-N 313.423 -0.071 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)Cc2ccn(C)n2)C1 1039696673 DRMUKSOKLGYIGR-IAQYHMDHSA-N 319.365 -0.798 30 20 DBED C[C@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)c2ccncc2)C1 1040759676 CHSQFPKWEGNVJT-ABAIWWIYSA-N 302.334 -0.066 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)c2cc(C#N)c[nH]2)C1 1040759989 FGPMCVFEJDZCTO-BONVTDFDSA-N 315.333 -0.261 30 20 DBED C=CCCC(=O)N1CC[C@@](O)(CNC(=O)Cc2cnc[nH]2)C1 1041035170 IBHLVCODXLSALO-OAHLLOKOSA-N 306.366 -0.002 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)Cc3cnoc3)C2)nc1 1041294734 OVPGGDYSPJOSQE-CHWSQXEVSA-N 313.317 -0.150 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(O)(CNC(=O)c2cccn2C)C1 1041500798 LBKQPYGYXQJERP-OAHLLOKOSA-N 321.377 -0.345 30 20 DBED C=C(Cl)CN1CC(N(C)C(=O)c2cnc(O)n(C)c2=O)C1 1043507269 GCKOEYZXTRPTKQ-UHFFFAOYSA-N 312.757 -0.005 30 20 DBED C=CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)c2ccncn2)C1 1043571271 MUXFUHBWZUQINU-LLVKDONJSA-N 320.349 -0.629 30 20 DBED Cc1n[nH]cc1C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1044358483 QGDMRRYCQCNQSE-NEPJUHHUSA-N 313.321 -0.641 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)[C@@]2(C)CCOC2)C1 1045303088 VBCWRNCWYHNNEY-HNNXBMFYSA-N 324.377 -0.858 30 20 DBED C=C1CCC(C(=O)NCC2(O)CN(C(=O)c3cnn[nH]3)C2)CC1 1045773244 ZCXFSILGFXINKU-UHFFFAOYSA-N 319.365 -0.146 30 20 DBED Cn1cncc1CC(=O)N1CCN([C@@H]2CCN(CC#N)C2)CC1 1046076707 PAMNHXUNYLOEOK-CQSZACIVSA-N 316.409 -0.295 30 20 DBED CN(C(=O)CSCC#N)[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 1048301999 MESZBLICCKZZSI-STQMWFEESA-N 321.402 -0.313 30 20 DBED C#CCOCCC(=O)N(C)[C@H]1CN(C(=O)CC2CC2)C[C@@H]1O 1048844751 RUGCSEUTQMTQLS-KBPBESRZSA-N 308.378 -0.144 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)[C@H]1CN(C(=O)c2ncc[nH]2)C[C@@H]1O 1048853123 YOUNENBJMWDIPC-SRVKXCTJSA-N 320.349 -0.908 30 20 DBED C[C@]12CN(C(=O)CC(N)=O)C[C@H]1CN(c1cnc(C#N)cn1)C2 1052268183 HMHWJZZVFSPDDP-BMIGLBTASA-N 314.349 -0.492 30 20 DBED C[C@H]1CN(C(=O)Cn2nccn2)C[C@H]1CNC(=O)C#CC1CC1 1052685086 YELIRANXTRIZKL-GXTWGEPZSA-N 315.377 -0.098 30 20 DBED C#CCN1CC2(CC[C@@H](CNC(=O)[C@H]3CCN(C)C(=O)C3)O2)C1 1053619873 YSAUAQJUYPMVDG-KBPBESRZSA-N 319.405 -0.162 30 20 DBED C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1NCc1nc(O)n[nH]1 1054568993 FPWBXVPBCYJKSS-LDYMZIIASA-N 315.337 -0.040 30 20 DBED N#Cc1nc(=N[C@@H]2CCN(C(=O)CCn3cncn3)C2)cc[nH]1 1056575467 UGOWLOUMDLUDSK-LLVKDONJSA-N 312.337 -0.535 30 20 DBED C=CCOCCCC(=O)N1CCC[C@H]2CN(C(=O)C(N)=O)C[C@H]21 1056639105 YWOKQYXUHXCBPP-QWHCGFSZSA-N 323.393 -0.096 30 20 DBED C#Cc1ccc(C(=O)NCCN(CCO)C(=O)CCOC)cn1 1056732355 NLCFSLJVFUXIGO-UHFFFAOYSA-N 319.361 -0.350 30 20 DBED N#Cc1nccnc1N[C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 1056779405 CTOKPCGKTSQULG-BBBLOLIVSA-N 300.322 -0.518 30 20 DBED CN(c1ccnc(C#N)n1)[C@H]1CCN(C(=O)C(C)(C)C(N)=O)C1 1056977974 SUEJSQISFMGESF-JTQLQIEISA-N 316.365 -0.103 30 20 DBED C=CCCOCC(=O)NCCN(CCO)C(=O)[C@H](CC)OC 1057156696 HXHQCZNBRXRGJX-ZDUSSCGKSA-N 316.398 -0.059 30 20 DBED C#CCNC(=O)CC(=O)N(CCO)CCNC(=O)[C@H]1CC1(C)C 1057391038 ZQPZLHLFEUXIJU-GFCCVEGCSA-N 323.393 -0.891 30 20 DBED C#CCO[C@H](C)C(=O)N(CCO)CCNC(=O)c1ccnnc1 1057584165 GJJNQXNMFMQRNK-GFCCVEGCSA-N 320.349 -0.934 30 20 DBED C[C@@H]1[C@H](C(=O)N(CCO)CCNC(=O)C#CC2CC2)CCN1C 1057739597 HIIJPJRZASBAGG-UKRRQHHQSA-N 321.421 -0.323 30 20 DBED N#Cc1cnc(N2CCC[C@H](NC(=O)[C@H]3COCCO3)C2)cn1 1058120662 UBSMTKSHFHZTBK-WCQYABFASA-N 317.349 -0.151 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)CC[C@@H]1CCCN1C 1058661515 YJYKQMXAFZOXSB-KGLIPLIRSA-N 324.425 -0.042 30 20 DBED C=CCOCC(=O)NC[C@H]1COCCN1C(=O)Cc1cc[nH]n1 1061423717 MPGFEHJCSLRQRS-ZDUSSCGKSA-N 322.365 -0.502 30 20 DBED C#CCCCC(=O)NC[C@H]1COCCN1C(=O)c1cnon1 1061538822 UBRDOZQYTNQQLD-NSHDSACASA-N 306.322 -0.170 30 20 DBED CNC(=O)CC(=O)N1CCOC[C@H]1CNC(=O)C#CC(C)C 1061566803 VMEHCFDLNLRYMO-GFCCVEGCSA-N 309.366 -0.875 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)CCc1ncc[nH]1 1061848403 QOTYSIUGHKYNQV-NEPJUHHUSA-N 319.365 -0.154 30 20 DBED Cn1ncc(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(C#N)nn2)c1N 1062479866 PMESKYFMHXXHGW-QWRGUYRKSA-N 324.348 -0.233 30 20 DBED N#Cc1nccc(N2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2C[C@H]2C(N)=O)n1 1062580319 PUBVGDZLZCQYGL-MMWGEVLESA-N 312.333 -0.741 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CN(C(=O)CCn2ccnn2)CCO1 1065086678 BFQDCHLWRNCSRM-RYUDHWBXSA-N 320.353 -0.829 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)[C@@H]2COC(=O)N2)CCO1 1065108404 RTXXQBNWLBEDQS-NEPJUHHUSA-N 323.349 -0.902 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@H](CNC(=O)CCc2cn[nH]c2)C1 1065557492 ROUGTFGIIUEEAL-DGCLKSJQSA-N 319.365 -0.154 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCCN(C)C(=O)C[C@@H]1CC(=O)NC1=O 1067767176 KDBRILAZHQRSOD-QWRGUYRKSA-N 322.365 -0.494 30 20 DBED C[C@@H]1C[C@@H](CN=c2cc[nH]c(C#N)n2)CN1C(=O)c1cnn[nH]1 1068382593 AVVYUKULFOHPKX-ZJUUUORDSA-N 312.337 -0.149 30 20 DBED C[C@H](C#N)C(=O)N1CCOC2(CN(C(=O)CCCC(N)=O)C2)C1 1068450859 ZSMONJFYPWGLJC-LLVKDONJSA-N 322.365 -0.759 30 20 DBED CC(C)C#CC(=O)N1CC2(C[C@H](NC(=O)c3cnn[nH]3)CO2)C1 1068918897 BAQUTUKAZMVBQW-NSHDSACASA-N 317.349 -0.436 30 20 DBED C=C(C)C[C@H](C)C(=O)N[C@@H]1COC2(C1)CN(C(=O)C(N)=O)C2 1068975925 PDIIQRQKZJVRNC-QWRGUYRKSA-N 309.366 -0.440 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1COC2(C1)CN(C(=O)c1cnco1)C2 1069002892 IPARUMYYLVCFAX-ZJUUUORDSA-N 304.306 -0.066 30 20 DBED C=CCN[C@@H]1CN(C(=O)Cc2n[nH]c(C)n2)C[C@@H]1n1ccnn1 1070192740 MMGBIQMQVZWIMN-NEPJUHHUSA-N 316.369 -0.525 30 20 DBED Cc1nc[nH]c1CC(=O)N1C[C@H](n2ccnn2)[C@H](NCC#N)C1 1070317416 PPOXPQWHCJFEEZ-OLZOCXBDSA-N 314.353 -0.583 30 20 DBED N#CCN1C[C@H]2C[C@H]3CN(C(=O)CCn4cncn4)C[C@@]3(C1)O2 1070761174 MPMBBDOGXOAHTD-GZBFAFLISA-N 316.365 -0.507 30 20 DBED C#CCN1CCN([C@H]2CCCN(C(=O)c3cn[nH]c3)C2)C(=O)C1 1071253524 NKGBWVWEBHHPHF-AWEZNQCLSA-N 315.377 -0.208 30 20 DBED C=CCN1CCN([C@@H]2CCCN(C(=O)c3cnn[nH]3)C2)C(=O)C1 1071268076 WSXQIZKUMCIBAW-GFCCVEGCSA-N 318.381 -0.261 30 20 DBED CC#CCCCC(=O)N[C@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1C 1072535053 RKDRWGVNCDXURA-NEPJUHHUSA-N 318.381 -0.020 30 20 DBED C#CCOCCC(=O)N[C@H]1CN(C(=O)CCN(C)C)C[C@@H]1C 1072680018 QFFZGAVNEWPBLJ-KBPBESRZSA-N 309.410 -0.059 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@H](NC(=O)C(N)=O)C(C)(C)C1 1073478897 BKMMHTHAEMTYMZ-MNOVXSKESA-N 309.366 -0.747 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](NC(=O)COCC)[C@H](C)C1 1073672970 MPYQPDVFHYWKPB-OLZOCXBDSA-N 323.393 -0.484 30 20 DBED N#CCN1CCCO[C@H](CNC(=O)[C@@H]2CCNC(=O)CC2)C1 1073713564 FACIKNNJMUVZGN-QWHCGFSZSA-N 308.382 -0.367 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCN(C(=O)CC(=O)NC)C[C@@H]1C 1073959119 CHWSZEKCGXOMLZ-QWHCGFSZSA-N 323.393 -0.484 30 20 DBED C=CCCC(=O)N1CCC(O)(CNC(=O)Cc2nc[nH]n2)CC1 1074511357 FVIWLABJFPRWQI-UHFFFAOYSA-N 321.381 -0.217 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC(O)(CNC(=O)COC)CC1 1074588447 IYXUUJMFFYWKPD-LBPRGKRZSA-N 312.366 -0.859 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCn3c(cnc3C)C2)C1 1077671057 WKDCWJKGMDPCNR-NWANDNLSSA-N 302.378 -0.452 30 20 DBED CC(C)C#CC(=O)N[C@@H](C)CCNC(=O)Cn1c(O)nnc1O 1077680250 XZZPPYQRTFZCOF-JTQLQIEISA-N 323.353 -0.640 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)c2cccc(C(=O)NC)n2)C1 1078098883 JOULVQVFEXPOAA-ZIAGYGMSSA-N 316.361 -0.761 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2cnn(-c3ccccc3)n2)C1 1078156785 HSCWWYCHQVLYFB-HUUCEWRRSA-N 311.345 -0.325 30 20 DBED C[C@H](C#N)C(=O)N1CCCO[C@@H](CNCc2nnn(C)n2)C1 1078358194 LHYZWKVSDOIXPQ-MNOVXSKESA-N 307.358 -0.923 30 20 DBED C#CCN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)c1nccnc1C(N)=O)C2 1079101973 AHPJYFNVYQZWJN-IJLUTSLNSA-N 313.361 -0.209 30 20 DBED CC#CCN1CCC2(CC1)CN(C(=O)CC(N)=O)[C@@H]1COC[C@@H]12 1079229487 CMAJITSWVGOMRH-UONOGXRCSA-N 319.405 -0.176 30 20 DBED C[C@@H](C#N)C(=O)NC1(CO)CCN(C(=O)c2nc[nH]n2)CC1 1080981807 MHFSCQZQANWQNW-VIFPVBQESA-N 306.326 -0.952 30 20 DBED N#CCSCC(=O)N1C[C@@H](O)[C@H](CNC(=O)C(F)F)C1 1081149800 NDAQFOSIZICNNX-HTQZYQBOSA-N 307.322 -0.556 30 20 DBED C=CCCC(=O)N1C[C@H](CNC(=O)c2cnn(CC)n2)[C@@H](O)C1 1081453684 XEEKVWDBGPYRAK-AAEUAGOBSA-N 321.381 -0.187 30 20 DBED CN(C)CCC(=O)N1C[C@H](O)[C@H](CNC(=O)C#CC(C)(C)C)C1 1081476776 KZILTTPUBBSJIQ-KGLIPLIRSA-N 323.437 -0.077 30 20 DBED C=CCN1C[C@@H](NC(=O)CN2CCCS2(=O)=O)[C@H](OC)C1 1081768088 JJWHSXSYUZIYLW-VXGBXAGGSA-N 317.411 -0.977 30 20 DBED C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C[C@H]1NCC#N 1082739467 WQNRZERTWCYMPN-FVCCEPFGSA-N 308.382 -0.418 30 20 DBED C=CCN1CC[C@@H](N2C[C@H](O)[C@H](NC(=O)c3ccoc3)C2)C1=O 1083339079 TXMMRYSLEPTWGT-MCIONIFRSA-N 319.361 -0.159 30 20 DBED Cn1cc([C@@H]2CN(C(=O)[C@H]3CCC(=O)N3)C[C@H]2NCC#N)cn1 1086971282 HBUZGJUXLXYQCI-YNEHKIRRSA-N 316.365 -0.894 30 20 DBED C=C(C)CCN1CC[C@@H](NC(=O)Cn2cnnc2O)[C@H](O)C1 1090198138 VJBVOJBIIYWODF-VXGBXAGGSA-N 309.370 -0.499 30 20 DBED C=CCCN1CC[C@H](NC(=O)c2cc(=O)n(C)cn2)[C@H](O)C1 1090336248 FRJSBSZBHDYZRZ-WCQYABFASA-N 306.366 -0.479 30 20 DBED CC(=O)N(C)CC(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@H]1O 1090395234 ZUJDJTIWKSRBNN-CHWSQXEVSA-N 317.349 -0.903 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2cc3n(n2)CCCO3)[C@H](O)C1 1090425176 MBIJIMOSNHMMQT-GXTWGEPZSA-N 318.377 -0.146 30 20 DBED COCC(C)(C)C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1O 1090507085 SVUDKONYIMQMPK-VXGBXAGGSA-N 319.365 -0.313 30 20 DBED CCC[C@@H](OC)C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1O 1090511725 VKUPREMNBFHTQY-JHJVBQTASA-N 319.365 -0.171 30 20 DBED N#Cc1ccc(CN2CC[C@H](NC(=O)C(N)=O)[C@H](O)C2)cc1F 1090533227 XRPSUHNGUBZOSC-QWHCGFSZSA-N 320.324 -0.766 30 20 DBED CO[C@@H](C)CCC(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1091096363 NWYKCYQCXLULQD-UHTWSYAYSA-N 319.365 -0.171 30 20 DBED CN1CC[C@H](C(=O)NCCNc2nccnc2C#N)CC1=O 1094239259 MFLNOPFLRDFYST-JTQLQIEISA-N 302.338 -0.255 30 20 DBED Cn1cc(C(=O)NCc2cn(C3CN(CC#N)C3)nn2)cn1 1094272683 CGNVBSXAEVRZCR-UHFFFAOYSA-N 300.326 -0.678 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)[C@@H]3CCCCN3C)CC2=O)C1 1094751769 XERACXBRYTTZPO-HIFRSBDPSA-N 318.421 -0.495 30 20 DBED N#Cc1ccc(NCCCNC(=O)CN2CCCNC2=O)nn1 1094884966 DAYHZVLPGXVSPS-UHFFFAOYSA-N 317.353 -0.318 30 20 DBED C#CCN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1nccnc1C(N)=O)C2 1095051155 VYURQGWZRHUTLR-SRVKXCTJSA-N 313.361 -0.209 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](N(C)c2nccc(C)n2)C1 1095111400 SFXHHNHYQZCYNZ-CYBMUJFWSA-N 315.377 -0.038 30 20 DBED N#Cc1nccnc1N1CC[C@H](NC(=O)CCNC(N)=O)C1 1096377754 HTISNDYGMLKXDZ-VIFPVBQESA-N 303.326 -0.898 30 20 DBED CNC(=O)NCC(=O)N[C@@H]1CCN(c2ccc(C#N)cn2)C1 1096493016 HKANRNYUFKJDSI-LLVKDONJSA-N 302.338 -0.423 30 20 DBED Cn1nnc(C(=O)NC[C@H](N=c2cc[nH]cc2C#N)C2CC2)n1 1096789009 UADJRSXXOKFEDC-LBPRGKRZSA-N 312.337 -0.481 30 20 DBED C[C@@H](CNC(=O)C[C@@H](C)NC(N)=O)Nc1cnc(C#N)cn1 1098076672 WAABCHDQEKQIAU-BDAKNGLRSA-N 305.342 -0.288 30 20 DBED C[C@@H](CC(=O)NC[C@H](C)Nc1nccnc1C#N)NC(N)=O 1098076800 YFHNDHGQCYYKSR-IUCAKERBSA-N 305.342 -0.288 30 20 DBED C[C@H](CNC(=O)CN1CCNC(=O)C1)Nc1ccc(C#N)nc1 1098188293 GVCJTTFKFSGXJH-LLVKDONJSA-N 316.365 -0.698 30 20 DBED Cc1nn(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC#N)c(=O)n1C 1098303189 UBXQFKWOZGGVRH-UTUOFQBUSA-N 304.354 -0.865 30 20 DBED Cn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC#N)c(O)nc1=O 1098386904 NGGJHLXYALCGRA-IEBDPFPHSA-N 303.322 -0.655 30 20 DBED C[C@H]1CN(C(=O)[C@@H]2CCNC2=O)CC2(CCN(CC#N)CC2)O1 1098619850 NRWNQZIJSRLKKU-QWHCGFSZSA-N 320.393 -0.272 30 20 DBED N#CCN1C[C@@H]2CCC[C@]2(NC(=O)CN2C(=O)CCC2=O)C1 1099154362 ZDZLCNDFLOGTQZ-NHYWBVRUSA-N 304.350 -0.370 30 20 DBED C#CCO[C@H](C)C(=O)NCC[C@@H](C)Nc1ccc2nnnn2n1 1099522651 UNFQIBXEXIBCPG-GHMZBOCLSA-N 317.353 -0.136 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)CCc2cnn[nH]2)[C@@H](O)C1 1100011584 RNTBWHSSHJTKEW-KGLIPLIRSA-N 323.397 -0.509 30 20 DBED CN(CCNC(=O)C[C@@H]1COC(=O)C1)c1cncc(C#N)n1 1100012189 ISSVQKYWWCCDTJ-JTQLQIEISA-N 303.322 -0.146 30 20 DBED C=CCNC(=O)CNC1CC(CNC(=O)Cc2cnn(C)c2)C1 1100175898 USANAPNKBPNGOR-UHFFFAOYSA-N 319.409 -0.251 30 20 DBED C#CCCNC1CC(CNC(=O)CN2CCCS2(=O)=O)C1 1100385330 LJQOSHGEBQDRQS-UHFFFAOYSA-N 313.423 -0.470 30 20 DBED CCN(CCNC(=O)[C@]1(C)CNC(=O)C1)c1ccc(C#N)nn1 1100671302 VUZASKLNXAGTFF-HNNXBMFYSA-N 316.365 -0.183 30 20 DBED N#Cc1cnc(N(CCNC(=O)CNC(N)=O)C2CC2)c(F)c1 1101280356 UIEQMXIYOLXRAV-UHFFFAOYSA-N 320.328 -0.154 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(CC(=O)N(C)C)C[C@H]1C 1101960917 QVBXFCANUNMZJF-ZIAGYGMSSA-N 309.410 -0.201 30 20 DBED CCN(C(=O)CNC(N)=O)[C@H]1CCN(c2ccnc(C#N)n2)C1 1102779909 OBLXXCYECXVDEU-JTQLQIEISA-N 317.353 -0.556 30 20 DBED N#Cc1cnc(N[C@H]2CC[C@H](NC(=O)CNC(N)=O)CC2)cn1 1103634714 FRYIORLGYUNDQQ-MGCOHNPYSA-N 317.353 -0.144 30 20 DBED CCC(=O)NCC(=O)NC[C@H](N=c1cc[nH]c(C#N)n1)C(C)C 1105138624 YJUCMDBCWNOWPT-NSHDSACASA-N 318.381 -0.151 30 20 DBED CN(CCN(C)c1cnc(C#N)cn1)C(=O)c1cn(C)nn1 1105383723 BVLKXFXIRGSKFJ-UHFFFAOYSA-N 300.326 -0.315 30 20 DBED N#Cc1cncc(NC[C@@H](O)CNC(=O)[C@H]2CCCOC2)n1 1105742377 QGQQLNMMWHFGFO-CMPLNLGQSA-N 305.338 -0.336 30 20 DBED N#Cc1cnc(NC[C@@H](O)CNC(=O)c2ccc(C#N)[nH]2)cn1 1105788040 DSIKBCQHBJLCQX-LLVKDONJSA-N 311.305 -0.249 30 20 DBED N#Cc1cnc(NC[C@@H](O)CNC(=O)C23CCN(CC2)C3)cn1 1105917817 PMWXQEQRDHLWLY-GFCCVEGCSA-N 316.365 -0.667 30 20 DBED C[C@@]1(C(=O)NC[C@H](O)CNc2cnc(C#N)cn2)CCOC1 1105939387 QDJQDIJHDDOROV-BXUZGUMPSA-N 305.338 -0.336 30 20 DBED CC(=O)NCCOCCNC[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1C 1105946095 LDJANRCNUCDISK-GZBFAFLISA-N 324.425 -0.017 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H](O)CNc1ncccc1C#N 1105970494 IMNWLKRGTHBCFH-AAEUAGOBSA-N 302.334 -0.119 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)C[C@H]2CC(=O)NC2=O)C[C@H]1C 1107102467 RBJVMUMMJGIBND-JHJVBQTASA-N 305.378 -0.253 30 20 DBED N#CCN1CC(n2cc(CNC(=O)COCC3CC3)nn2)C1 1107135041 LOYMBONMHHGOSY-UHFFFAOYSA-N 304.354 -0.299 30 20 DBED N#Cc1ccc(NC/C=C/CNC(=O)CCNC(N)=O)nn1 1107190274 VDVHBRARVVHCCJ-OWOJBTEDSA-N 303.326 -0.509 30 20 DBED C=CCOCC(=O)NC[C@]1(C)CN(C[C@H](O)COC)CCO1 1107812239 ZKQBSETUZALTNT-DZGCQCFKSA-N 316.398 -0.597 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)[C@@H](C)S(C)(=O)=O 1108194755 BZNFZVULUUSOAH-RKDXNWHRSA-N 311.367 -0.880 30 20 DBED CC#CCN1CC(N2C[C@H](NC(=O)CCCOC)CC2=O)C1 1108513207 CWZUBQPWAVEKIT-CYBMUJFWSA-N 307.394 -0.162 30 20 DBED C=C(C)CN1CC(N2C[C@@H](NC(=O)CCCC(N)=O)CC2=O)C1 1108595148 HIPBKSBNNUEQNS-LBPRGKRZSA-N 322.409 -0.381 30 20 DBED C[C@@H](CNc1cncc(C#N)n1)NC(=O)[C@]1(C)CCNC1=O 1108694495 UPZCONFQDFNDPT-LKFCYVNXSA-N 302.338 -0.209 30 20 DBED CNC(=O)C1(C(=O)N[C@H](C)CN(C)c2cncc(C#N)n2)CC1 1109018119 JIENVCVGODAOEU-SNVBAGLBSA-N 316.365 -0.185 30 20 DBED CNC(=O)CC(=O)N[C@@H](CNc1nccnc1C#N)C1CC1 1109841799 JNJZAQRAHGQERM-NSHDSACASA-N 302.338 -0.209 30 20 DBED N#CCSCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2[C@H]1CCNC1=O 1110305477 XJNMZXNIAPBYLY-WYUUTHIRSA-N 308.407 -0.147 30 20 DBED CC[C@H](OC)C(=O)NC[C@@]1(O)CCN(c2ccnc(C#N)n2)C1 1111043316 CLHMBYLTLLLKGC-NHYWBVRUSA-N 319.365 -0.169 30 20 DBED CO[C@H](C)C(=O)NC[C@H]1COCCN1c1cnc(C#N)cn1 1111656734 IQBUVNFZFIPVIB-PWSUYJOCSA-N 305.338 -0.295 30 20 DBED CC(=O)NCC(=O)N1CCO[C@@H](CNc2cnc(C#N)cn2)C1 1111929348 DOLDZARJDURTBO-LBPRGKRZSA-N 318.337 -0.876 30 20 DBED C[C@@H]1CN(c2ccc(C#N)nc2)CC[C@@H]1NC(=O)CNC(N)=O 1112394295 ZEFHSAXZEOSMCA-MFKMUULPSA-N 316.365 -0.047 30 20 DBED CCc1nc(C#N)cc(N2C[C@H](CNC(=O)COC)[C@@H](O)C2)n1 1112693106 XATVONUVFHJXFQ-JQWIXIFHSA-N 319.365 -0.530 30 20 DBED N#Cc1cnc(N2C[C@H](O)[C@H](CNC(=O)C(N)=O)C2)c(Cl)c1 1112751622 RDVWVKDFDPFAEU-SCZZXKLOSA-N 323.740 -0.995 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCN(C[C@H](O)Cn2cccn2)CC1 1112805035 ZXJUDNYBFVYZLW-GOEBONIOSA-N 322.409 -0.285 30 20 DBED C[C@@H](NC(=O)CN1CCOCC1)[C@@H](C)Nc1nccnc1C#N 1112970901 JLFPHZWYVIILMP-VXGBXAGGSA-N 318.381 -0.014 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN([C@@H](C)C(N)=O)CC1 1113410042 KYZSPKXMNCWCKW-WCQYABFASA-N 310.398 -0.525 30 20 DBED C=CCOCCN1CCN(C(=O)c2nccnc2C(N)=O)CC1 1113616035 MPCVZOIDWCTLFQ-UHFFFAOYSA-N 319.365 -0.464 30 20 DBED C[C@@H](CNC(=O)C[C@@H](C)NC(N)=O)N(C)c1ccc(C#N)nn1 1113719388 COYPVQUUSNEPIP-ZJUUUORDSA-N 319.369 -0.264 30 20 DBED C[C@H]1CCN(c2ncccc2C#N)C[C@@H]1NC(=O)CNC(N)=O 1113997560 LDSDOQJSRRAXEM-JQWIXIFHSA-N 316.365 -0.047 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)c3cnn(CC)c3)[C@@H]2C1 1114058316 SNKTVBDCTSRIHD-CHWSQXEVSA-N 315.377 -0.688 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)Cc3cccnc3)[C@H]2C1 1114138469 DWJQQJPPEZMRDH-HALDLXJZSA-N 312.373 -0.580 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)Cn3nccn3)[C@H]2C1 1114336395 OGZUDYDNUHWJOL-CIQGVGRVSA-N 318.381 -0.985 30 20 DBED N#CCNC(=O)CN1C[C@@H]2C(NC(=O)CCc3cn[nH]c3)[C@H]2C1 1114948847 GGDDGLMOPUWYPL-RYUDHWBXSA-N 316.365 -0.972 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)c3cnon3)[C@H]2C1 1114994292 KPBIQWTZIRWPPZ-SVDPJWKOSA-N 305.338 -0.580 30 20 DBED Cc1cc(C(=O)NC2[C@H]3CN(CC(=O)NCC#N)C[C@H]23)ccn1 1114995233 WHLNXANNOHLADG-STQMWFEESA-N 313.361 -0.310 30 20 DBED C=CCOCCN1C[C@H]2[C@H](NC(=O)c3cc(C(N)=O)c[nH]3)[C@H]2C1 1115018772 YKRKUSYEAREAIA-IMRBUKKESA-N 318.377 -0.024 30 20 DBED O=C1CN(CCC/N=C2/NS(=O)(=O)c3ccccc32)CCN1 1116566465 UVBWLCOKFMTMSX-UHFFFAOYSA-N 322.390 -0.453 30 20 DBED O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)N1CC=CCC1 1117318573 WNGRMVYGHLSCSE-OUKQBFOZSA-N 318.333 -0.583 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1C[C@H](C)O[C@]2(CCOC2)C1 1117543499 GUIVOSZRIBJCTD-YWPYICTPSA-N 312.366 -0.290 30 20 DBED C#CCCN(CCOC)c1nnc(C2=NO[C@@H](CO)C2)n1C 1121455736 HIZNTYQOGJXRIJ-LLVKDONJSA-N 307.354 -0.224 30 20 DBED Cc1nonc1C(=O)NC[C@@H](CO)Nc1ccc(C#N)nc1 1121735068 SLWGIUAXEGYMQK-NSHDSACASA-N 302.294 -0.153 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H](CO)Nc1cc(C)nc(OC)n1 1122035204 FZWCGEXHAOBBHG-NEPJUHHUSA-N 322.365 -0.279 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)c1cccnc1 1122655063 VUUPJJOROQGGGN-LLVKDONJSA-N 319.365 -0.199 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H]1CC[C@H](NC(=O)CNC(N)=O)C1 1123719470 PEWQIAWTFSPCER-PWSUYJOCSA-N 316.365 -0.260 30 20 DBED COC[C@H](OC)C(=O)N(C)C[C@H](O)CN=c1cc[nH]cc1C#N 1124720792 DAEIBKGFIVMJHR-OCCSQVGLSA-N 322.365 -0.732 30 20 DBED CO[C@@H](C)C(=O)N(C)C[C@H](O)CN(C)c1cncc(C#N)n1 1124958371 SDJTUHSRQGKVKS-CMPLNLGQSA-N 307.354 -0.361 30 20 DBED CN(CCOCCNc1cncc(C#N)n1)C(=O)c1cnon1 1127351920 RRDACRZUKVEEPF-UHFFFAOYSA-N 317.309 -0.068 30 20 DBED C#CCN[C@@H]1CN(C(=O)CSCC#N)C[C@@H]1n1ccnn1 1129608475 SBPAWGHXYBWPSE-NEPJUHHUSA-N 304.379 -0.490 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1cn(C)c(C)cc1=O 1129982361 HBUKJXMGTDUWPE-UHFFFAOYSA-N 306.366 -0.685 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)c1nc(C)c(C)nc1O 1130126935 NHPBVTFNTIOCQX-LLVKDONJSA-N 321.381 -0.191 30 20 DBED C#CCN1CC[C@@H](c2n[nH]cc2CNC(=O)CNC(=O)OC)C1 1130348678 SOMWWIWZEZPDMW-LLVKDONJSA-N 319.365 -0.196 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1cnc2nccn2c1 1131344956 VAZRHYQQFNVMNL-UHFFFAOYSA-N 302.338 -0.649 30 20 DBED C#CCNC(=O)CNC[C@H]1CN(C(=O)c2cc[nH]n2)CC[C@H]1C 1132655060 HFKCZVAZMUULAA-OLZOCXBDSA-N 317.393 -0.153 30 20 DBED C=C1CC(C)(C(=O)NCCNCC(=O)N[C@@H](C)C(=O)N(C)C)C1 1133571091 GKGFPNOPUGQPKD-LBPRGKRZSA-N 324.425 -0.359 30 20 DBED COCC#CCN[C@@H](C)C[C@@H](C)NC(=O)CN1CCOCC1 1134128061 UUSSXJVDXVJAQY-LSDHHAIUSA-N 311.426 -0.159 30 20 DBED C[C@H](C[C@@H](C)NC(=O)CN(C)S(=O)(=O)N(C)C)NCC#N 1134351310 FSLMAZCHQSEYBL-GHMZBOCLSA-N 319.431 -0.879 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)NCCNCCNC(=O)C1CC1 1134816671 GRXCBIJPGBTOJL-CQSZACIVSA-N 324.425 -0.311 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)Cc1nonc1C 1135823437 AVAQQKCIUVDVAF-QWRGUYRKSA-N 321.381 -0.457 30 20 DBED C=CCOCCN1CCCO[C@@H](CNC(=O)CNC(N)=O)C1 1149136381 GTZUHTWTEWBWHS-LBPRGKRZSA-N 314.386 -0.936 30 20 DBED COC[C@@H](O)CN1CCCO[C@H](CNC(=O)C#CC(C)C)C1 1149681083 GPTLYCDISFISHV-LSDHHAIUSA-N 312.410 -0.140 30 20 DBED C=CCCN1CCCO[C@@H](CNC(=O)C[C@@H]2NC(=O)NC2=O)C1 1149854144 GEGXSIXLXAMLJL-RYUDHWBXSA-N 324.381 -0.632 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)c1cnn(CC)c1 1152540608 PQBAZXCFGBPGMO-GFCCVEGCSA-N 320.397 -0.017 30 20 DBED CCN(CC#N)[C@H](C)CNC(=O)CCC(=O)N1CCOCC1 1156745774 HOMIEBWCEQGZQZ-CYBMUJFWSA-N 310.398 -0.024 30 20 DBED C#CCCN1CCC(CNC(=O)CNC(N)=O)(COC)CC1 1162091153 FQXKWWNUAAYJHY-UHFFFAOYSA-N 310.398 -0.477 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)[C@@H]1CCNC(=O)CC1 1163318373 WGVBSJJJFVZNBZ-STQMWFEESA-N 322.409 -0.864 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCCCN[C@@H](C)C(=O)NC(N)=O 1166993002 HKADCFRQWHJFHB-AXFHLTTASA-N 312.370 -0.743 30 20 DBED C#CCCNCC1(CCNC(=O)c2cn(C)c(=O)nc2O)CC1 1168109620 JRSVCMGFNMDWKY-UHFFFAOYSA-N 318.377 -0.001 30 20 DBED C#CCNCCCC[C@@H](C)NC(=O)CCn1ncn(C)c1=O 1171913415 VZYYQRAHWWGBFN-CYBMUJFWSA-N 307.398 -0.130 30 20 DBED C#CCCNCCCC[C@H](C)NC(=O)CN1CC(=O)NC1=O 1175754384 BKKZQWYXBFACBY-LBPRGKRZSA-N 308.382 -0.174 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2n[nH]cc2F)[C@H]1C 1179487093 YVYHEUIWATVCDW-ONGXEEELSA-N 307.329 -0.509 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)c2ccc3nn[nH]c3n2)C1 1183068523 MTHNWQJSBAKKQZ-LLVKDONJSA-N 314.349 -0.193 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2c[nH]nc2CC)C1 1183877830 XRLLUVPXVKBMPM-LLVKDONJSA-N 303.366 -0.474 30 20 DBED N#CCNC(=O)CN[C@@H]1CCN(C(=O)c2n[nH]c3c2CCC3)C1 1183884534 QXXDVJSVICLJHK-SNVBAGLBSA-N 316.365 -0.658 30 20 DBED N#CCNC(=O)CN[C@@H]1CCN(C(=O)C23CCCN2CCC3)C1 1183939382 CETRDKSJSFFFMO-CYBMUJFWSA-N 319.409 -0.555 30 20 DBED C=CCn1cc(C(=O)N2CC[C@@H](NCCOCCOC)C2)nn1 1186177198 IFMGICYLMQLGKE-CYBMUJFWSA-N 323.397 -0.069 30 20 DBED CNC(=O)CNC[C@@H]1CN(C(=O)[C@@H](C)C#N)CC12CCOCC2 1186309274 FIEIXZHWHAMUJC-QWHCGFSZSA-N 322.409 -0.263 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@H]1CCN(C(=O)Cn2cccn2)C1 1188864089 XZQCBMFYOPOIAQ-KGLIPLIRSA-N 317.393 -0.446 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(Cc2ncnn2CCF)C[C@H]1O 1192751596 CBBQRCKUZCBYBZ-CHWSQXEVSA-N 323.372 -0.432 30 20 DBED CC(C)N1CC[C@H](N2C[C@@H](O)[C@H](NC(=O)C#CC3CC3)C2)C1=O 1192828077 YMDKWOVRIXXBDT-QLFBSQMISA-N 319.405 -0.430 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)Cc2ncc[nH]2)C1 1193047651 ICCLHNLZHKNSPK-GFCCVEGCSA-N 305.382 -0.213 30 20 DBED C#CCCN(C)[C@@H]1CCN(C(=O)c2cn(C)c(=O)nc2O)C1 1193991863 DUCSUPGZQUHEQJ-LLVKDONJSA-N 304.350 -0.345 30 20 DBED CC#CCCCC(=O)N[C@@H]1CN(CC(=O)N(C)CC)C[C@H]1O 1195467672 RUYGREVIVHZXFC-ZIAGYGMSSA-N 309.410 -0.180 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)[C@@H]2CC[C@@H]2C(N)=O)CC1 1196771183 TXFLRKAESIJORW-QWHCGFSZSA-N 322.409 -0.666 30 20 DBED CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCCN(CC#N)CC1 1197006841 DIOCIDPESLMEMG-AWEZNQCLSA-N 318.381 -0.485 30 20 DBED CCNC(=O)NC(=O)[C@@H](C)NC1CCN(C(=O)[C@H](C)C#N)CC1 1199817812 VNGDRYMSRALURU-GHMZBOCLSA-N 323.397 -0.039 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)C#CC2CC2)CCCO1 1200452977 PMTNOFRCVOSFSE-OAHLLOKOSA-N 317.389 -0.644 30 20 DBED C#CCNC[C@@H]1CN(C(=O)c2cnc3[nH]nnc3c2)CCCO1 1200696906 WQWKFSVYOSXFTD-GFCCVEGCSA-N 314.349 -0.193 30 20 DBED CC#CCNC[C@H]1CN(C(=O)[C@@]2(C)CNC(=O)C2)CCCO1 1201052762 WJPBRGDQNYJWLQ-XJKSGUPXSA-N 307.394 -0.257 30 20 DBED COCC#CCNC[C@H]1CN(C(=O)c2nc[nH]n2)CCCO1 1201658460 CJKVFWRQLPVJSZ-LBPRGKRZSA-N 307.354 -0.725 30 20 DBED C=CCNC[C@H]1CN(C(=O)c2cn(C)c(=O)nc2O)CCCO1 1202059503 QHVMWHOOOQCUQW-NSHDSACASA-N 322.365 -0.507 30 20 DBED C#CCN[C@H]1C[C@@H](NC(=O)CCNC(=O)COC)C12CCC2 1202997204 WNWMTDCOVYHACB-QWHCGFSZSA-N 307.394 -0.211 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCC[C@@H](NCCS(C)(=O)=O)C1 1207949660 DQQZLEBDARDPTH-TZMCWYRMSA-N 318.439 -0.061 30 20 DBED Cc1cnn(C)c1C(=O)N1CCC[C@H](NCC(=O)NCC#N)C1 1209051006 GPDJGCBHOPITMQ-LBPRGKRZSA-N 318.381 -0.438 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)c1ccn(C)n1 1211031762 OIZSBPSBUWNXRL-ZYHUDNBSSA-N 304.354 -0.890 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(Cc2nncn2C)C[C@H]1OC 1212029977 OPWNJZLZRLWKFA-VXGBXAGGSA-N 309.370 -0.667 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)[C@H]2CCC2(C)C)[C@H](OC)C1 1213297664 NJSWMEGUYGKUSJ-MGPQQGTHSA-N 321.421 -0.013 30 20 DBED Cc1nccn1CC(=O)N1C[C@@H](NCC(=O)NCC#N)[C@H](C)C1 1216756175 VSNLPWMSZIWZQU-DGCLKSJQSA-N 318.381 -0.732 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)c2ncoc2C)C1 1219286561 DDEUQZSDWQXBOZ-JLLWLGSASA-N 322.365 -0.551 30 20 DBED COCCc1noc(CN2C[C@H](O)[C@H](NC(=O)[C@@H](C)C#N)C2)n1 1219378918 JBCZPGJGAONQKE-AXFHLTTASA-N 323.353 -0.921 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)c2cc(C)sn2)C1 1219516698 BWYPCIKUGMQRDY-OLZOCXBDSA-N 309.391 -0.124 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)Cc2cncnc2)C1 1219523581 JIBOBWWWBOVJIR-KGLIPLIRSA-N 306.366 -0.617 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2c(C)noc2C)C[C@@H]1O 1219603113 SRHDTQOSEVIVIS-YUELXQCFSA-N 321.377 -0.009 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2cnc(C)cn2)C[C@@H]1O 1219605021 GXYZJAXUGIECDM-YUELXQCFSA-N 318.377 -0.515 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)[C@@H](C)NS(=O)(=O)CC)C1 1219672531 XCSLDXSWIMEATN-UTUOFQBUSA-N 319.427 -0.948 30 20 DBED CCO[C@@H]1C[C@@H]1C(=O)NCC1CCN(CC(=O)NCC#N)CC1 1222477320 RQBOXRBKAXVAKW-UONOGXRCSA-N 322.409 -0.121 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCOC1 1225247468 XKVBWYHWDYYGAO-YNEHKIRRSA-N 308.382 -0.320 30 20 DBED N#CCNC(=O)CN1CCC(NC(=O)c2cc(F)c[nH]2)CC1 1228326578 LVHIQXSPGWFCCH-UHFFFAOYSA-N 307.329 -0.012 30 20 DBED N#CCN(CCCNC(=O)CNC(N)=O)Cc1cccnc1 1230662119 AYUUESFWOLAUQE-UHFFFAOYSA-N 304.354 -0.418 30 20 DBED CN(C[C@H]1CCN1CC(=O)NCC#N)C(=O)[C@H]1CCCCO1 1233683145 LWIAKKQZULPTKQ-CHWSQXEVSA-N 308.382 -0.272 30 20 DBED Cc1ccnc(C(=O)N(C)C[C@H]2CCN2CC(=O)NCC#N)n1 1234040177 UFKDLMPLKCECOS-GFCCVEGCSA-N 316.365 -0.429 30 20 DBED C#CCC[C@@H](O)CNC(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 1256503674 DANNAALABHVNFB-NWDGAFQWSA-N 317.411 -0.659 30 20 DBED N#CCN1CCC(NS(=O)(=O)N2CCO[C@H](C#N)C2)CC1 1256594699 NSFHVEJNNJSSRB-GFCCVEGCSA-N 313.383 -0.967 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)C2CCN(C)CC2)C1 1269062037 XRHNMQGNGZSEMF-AWEZNQCLSA-N 308.426 -0.179 30 20 DBED CS(=O)(=O)c1cc(C(=O)NCC(=O)NCC#N)ccc1F 1322595376 QNVWCLCTOCMIEO-UHFFFAOYSA-N 313.310 -0.401 30 20 DBED C=C(C)COCCNC(=O)C(=O)N[C@H](C)CN1CCOCC1 1323128496 FQIYCYITYMZDBJ-CYBMUJFWSA-N 313.398 -0.468 30 20 DBED N#CCC1(CNC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC1 1323751984 NQZLLMWXJGDQQE-CHWSQXEVSA-N 320.393 -0.224 30 20 DBED CO[C@H]1CN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)C[C@H]1OC 1324564777 VAIXDDBGEWMIHQ-GJSMKDQFSA-N 323.349 -0.225 30 20 DBED CN(C)CCOCCNC(=O)C(=O)N1CCC(CC#N)CC1 1325212950 HUNIENDBDAVKFR-UHFFFAOYSA-N 310.398 -0.167 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@H]1CC(=O)N(C2CC2)C1)[C@H]1CCCO1 1325430889 IDDDMGPZIPZDGQ-WCFLWFBJSA-N 319.361 -0.837 30 20 DBED C=C(C)COCCNC(=O)C(=O)N1CCC[C@H](OCCO)C1 1325550663 ODRRWLPVLGXADY-ZDUSSCGKSA-N 314.382 -0.305 30 20 DBED C=CCCn1cc(C(=O)OCc2nc(CC(=O)NC)no2)nn1 1329161996 YKHKFYWESLWWJB-UHFFFAOYSA-N 320.309 -0.117 30 20 DBED C[C@H](C#N)CN(C)C(=O)C(=O)N1CC[C@H]2NC(=O)CC[C@H]2C1 1330475275 TUVWIWHPGVXSBV-GRYCIOLGSA-N 306.366 -0.268 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CCC[C@]2(CC)CO)nn1 1332043661 LZYHSNNIISPLCX-OAHLLOKOSA-N 321.381 -0.156 30 20 DBED C#Cc1cccc(CNC(=O)C(=O)N[C@H]2CCS(=O)(=O)C2)c1 1345249291 KADIMTUPIRDQHN-ZDUSSCGKSA-N 320.370 -0.413 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CC[C@@]3(CCOC3)C2)nn1 1345710989 PDXDRPCONUWKLS-OAHLLOKOSA-N 319.365 -0.281 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(C[C@@H]2CCC(=O)O2)c1=O 1346798420 IMWPYDWPTAKCMJ-JTQLQIEISA-N 307.306 -0.751 30 20 DBED N#CCCC[C@@H](N)C(=O)N1CCC[C@H](N2CCNCC2=O)C1 1349170443 RWGFLOZIHPWQAK-QWHCGFSZSA-N 307.398 -0.570 30 20 DBED COC(=O)CNC(=O)CNC(=O)Nc1cc(C)c(C#N)cn1 1364409224 NDIIMPMTFRKCFI-UHFFFAOYSA-N 305.294 -0.328 30 20 DBED N#Cc1ccc(CN2CC[C@H]2CNC(=O)Cn2cnnn2)s1 1379937709 CFHCBHDLYHKGBI-JTQLQIEISA-N 317.378 -0.003 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CCN(C(=O)CN(C)C(=O)C2CC2)C1 1385609617 DRKAWUJEWCPBFC-ZYHUDNBSSA-N 306.366 -0.268 30 20 DBED C[C@@H](C#N)C(=O)N(CCNC(=O)[C@@H]1CCNC(=O)C1)C1CC1 1387474801 SZSBNCREDFQNES-WDEREUQCSA-N 306.366 -0.221 30 20 DBED Cc1ccn(CC(=O)N2CC(CNC(=O)[C@H](C)C#N)C2)c(=O)c1 1389925283 WLNVLOAUUVELFG-GFCCVEGCSA-N 316.361 -0.109 30 20 DBED CCn1cnc(C(=O)N(C)C[C@H](O)CNC(=O)[C@H](C)C#N)c1 1396036264 RWCZLNVNOTXRJS-GHMZBOCLSA-N 307.354 -0.388 30 20 DBED C[C@H](C#N)C(=O)N(CCO)C1CCN(C(=O)[C@@H]2CCOC2)CC1 1396622657 FFLVYEQREFURJX-CHWSQXEVSA-N 323.393 -0.006 30 20 DBED C=C(Cl)CN1CC[C@H](NC(=O)CNS(=O)(=O)CC)C1 1398290048 MPUXIHHKZGJBGH-JTQLQIEISA-N 309.819 -0.131 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)CN2CCCNC2=O)CC1 1400609591 DEMPUZWDUYLEMI-SNVBAGLBSA-N 307.354 -0.674 30 20 DBED Cn1nnc(CN[C@H](CNC(=O)c2cc(C#N)c[nH]2)C2CC2)n1 1402279462 AUDGKXPURPWDGZ-GFCCVEGCSA-N 314.353 -0.292 30 20 DBED C[C@@H](C#N)C(=O)N(C)C[C@H]1CCN(C(=O)Cn2ncnn2)C1 1408994151 TWLOSKOPPWDRSO-WDEREUQCSA-N 305.342 -0.860 30 20 DBED CS(=O)(=O)NC1CN(C(=O)Nc2cc(CC#N)ccn2)C1 1414483352 OBQVUKRLPHMALF-UHFFFAOYSA-N 309.351 -0.087 30 20 DBED C[C@H]1CN(C(=O)CCn2cc(C#N)c(O)nc2=O)[C@H](C)CN1C 1417684306 ZEZUAWMCVSFUOT-WDEREUQCSA-N 319.365 -0.238 30 20 DBED CCN(CCC#N)C(=O)CN[C@H](C)CNC(=O)[C@H]1CCCN1C 1419715403 UFAHTGIKMPNGPA-ZIAGYGMSSA-N 323.441 -0.063 30 20 DBED COCCN(CCNC(=O)[C@H](C)C#N)C(=O)[C@@H](C)NC(C)=O 1426069986 GDMCTULQPPKRTF-GHMZBOCLSA-N 312.370 -0.738 30 20 DBED N#Cc1cc(C(=O)N2CC(NC(=O)CCc3nc[nH]n3)C2)c[nH]1 1432213087 ZFZVIAYEBGZLCJ-UHFFFAOYSA-N 313.321 -0.422 30 20 DBED CNS(=O)(=O)[C@H]1CCN(C(=O)CNc2ccc(C#N)cn2)C1 1446521346 SQNRBBMJPKERKN-NSHDSACASA-N 323.378 -0.485 30 20 DBED CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1CC(O)(CC#N)C1 1447922365 JQYADUBJHDQRLE-JTQLQIEISA-N 313.354 -0.251 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CN(C)C(=O)c1ccncc1F 1451839447 ZNUDIZIKRWAKJV-VHSXEESVSA-N 308.313 -0.071 30 20 DBED CCS(=O)(=O)C1CCN(C(=O)Cn2cnc(C#N)n2)CC1 1467659347 YCYNRENCVBWAEK-UHFFFAOYSA-N 311.367 -0.425 30 20 DBED C=C(C)Cn1c(-c2nc[nH]n2)nnc1N1CCN(C)C(=O)C1 1515398673 OHNQMZFDXKJMCZ-UHFFFAOYSA-N 302.342 -0.082 30 20 DBED CNC(=O)NCC(=O)N1CCCC[C@H]1CCNC(=O)[C@@H](C)C#N 1532583661 VHARNHAMBCICFP-RYUDHWBXSA-N 323.397 -0.038 30 20 DBED C=C(Cl)CN1CC2(C[C@@H](NC(=O)CNC(=O)O)CO2)C1 1573339840 YLOZNQXIEGKTMZ-SECBINFHSA-N 303.746 -0.034 30 20 DBED COCC#CCN[C@@H](C)[C@@H](C)NC(=O)CCOCc1cnn[nH]1 1576953405 NUGBHWBEIMRECC-QWHCGFSZSA-N 323.397 -0.156 30 20 DBED N#Cc1cc(CNC(=O)[C@@]23CNC[C@@H]2CS(=O)(=O)C3)ccn1 1580061342 KMQIURHPFVEVRS-BXUZGUMPSA-N 320.374 -0.796 30 20 DBED Cc1c(C#N)c(=O)n(Cc2ccc(-c3nn[nH]n3)cc2)c(=O)n1C 1580526391 WJAFUDDQUUHFTM-UHFFFAOYSA-N 323.316 -0.045 30 20 DBED N#Cc1nc(NCCC[C@@H]2C=NNC2=O)cnc1-c1nn[nH]n1 1581880397 IMUZYIYNQUHRQS-SSDOTTSWSA-N 312.297 -0.548 30 20 DBED C#CCN(CC(=O)O)c1nnc(CO)n1C[C@H]1CCCCO1 1588427440 XWRVVABJJZCQKS-LLVKDONJSA-N 308.338 -0.136 30 20 DBED C#CCOCCC(=O)N[C@H]1C[C@H](NC(=O)[C@H]2C[C@H]2C(=O)O)C1 1588489500 BIZRUCANDWZJQR-FIQHERPVSA-N 308.334 -0.490 30 20 DBED COC(=O)[C@@H](F)CNC(=O)N1CCC(C#N)(C(=O)O)CC1 1598894838 TXCUNENCNVUEDG-QMMMGPOBSA-N 301.274 -0.103 30 20 DBED N#Cc1nc(=N[C@H]2C[C@H](CNC(=O)[C@H]3C[C@@H]3C(=O)O)C2)cc[nH]1 1601134044 FNWKPTWQOFIVQJ-NAKRPEOUSA-N 315.333 -0.202 30 20 DBED C#CC[C@H](NS(=O)(=O)Cc1ccc(C(=O)NC)cc1)C(=O)O 1602698552 KTJIQTCBHFGUJY-LBPRGKRZSA-N 324.358 -0.058 30 20 DBED CN1CCN(CCN(CC(=O)O)C(=O)CC2(C#N)CC2)CC1 1606241040 KJOAEQFWOLVNML-UHFFFAOYSA-N 308.382 -0.159 30 20 DBED N#CCC(=O)N1CCN(C(=O)c2cccc(C(=O)O)n2)CC1 1608180299 XGNGAHISXRIITA-UHFFFAOYSA-N 302.290 -0.022 30 20 DBED C=CCSCCNC(=O)C(=O)N1C[C@@H](C(=O)O)C[C@@H](O)C1 1609461606 DXNKGLXYQFVFGG-VHSXEESVSA-N 316.379 -0.684 30 20 DBED CCOC(=O)C1CCN(C(=O)Cn2cncc(C#N)c2=O)CC1 1645787932 LNEXHCZVVAVPKR-UHFFFAOYSA-N 318.333 -0.083 30 20 DBED N#C[C@H]1CNC[C@H]1NC(=O)c1cccc(CS(N)(=O)=O)c1 1649851785 SCTLDVBKSWCUCS-NWDGAFQWSA-N 308.363 -0.684 30 20 DBED C[C@@H](CCNC(=O)CC1CCOCC1)NCC(=O)NCC#N 1713406115 ZKGBOWFBBSNZCM-LBPRGKRZSA-N 310.398 -0.073 30 20 DBED COCC#CCN(C)CCCNC(=O)c1cc(=O)n(C)cn1 1751991943 PQNPDAAGETVCHH-UHFFFAOYSA-N 306.366 -0.518 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@H](NC(=O)[C@H]2CCO[C@H](C)C2)C1 1752672157 ABRITFNRAORSMQ-XJFOESAGSA-N 307.394 -0.212 30 20 DBED C[C@H](C(=O)NCC[C@@H](C)NCC(=O)NCC#N)c1cnn(C)c1 1753018327 IXCCKBLZPNZLBT-NEPJUHHUSA-N 320.397 -0.352 30 20 DBED C#CCO[C@@H](C)C(=O)NCCN(CCC)[C@H]1CCC(=O)NC1=O 1753143327 PACPHLQRFOPGRC-STQMWFEESA-N 323.393 -0.342 30 20 DBED C=CCN1CCN(CCN(C)C(=O)C[C@H](C)NC(N)=O)CC1 1753342179 NWMPOQVIYKKSRS-ZDUSSCGKSA-N 311.430 -0.305 30 20 DBED Cc1cc(C(=O)NC[C@@H](NCC(=O)NCC#N)C(C)C)no1 1753824994 RWXMPGNTYIQJQF-GFCCVEGCSA-N 307.354 -0.033 30 20 DBED CC#CCNC[C@@H](O)CNC(=O)c1cc([C@@H]2CCCN2C)[nH]n1 1753920403 USPGQHGCXOVBCJ-DOMZBBRYSA-N 319.409 -0.120 30 20 DBED COCC#CCNC[C@@H](O)CNC(=O)c1cnn2c1CCCC2 1753934129 SPCFZIABTGZMQO-CYBMUJFWSA-N 320.393 -0.451 30 20 DBED CCN(CCNCC(=O)NCC#N)C(=O)[C@H]1C[C@H]2CC[C@H]1O2 1754037949 QFXGDJBCSUXIFQ-FRRDWIJNSA-N 308.382 -0.368 30 20 DBED C=CCN1CC[C@H](N2CC(N(C)C(=O)CCN(C)C)C2)C1=O 1754580872 PXCGWYRWYGFMNR-AWEZNQCLSA-N 308.426 -0.132 30 20 DBED C=C(C)CNC1(CNC(=O)[C@@H]2CC(=O)NC(=O)N2)CCOCC1 1754740385 YWSMRKLLPSEWSR-NSHDSACASA-N 324.381 -0.584 30 20 DBED C=CCNC(=O)[C@H](C)N1CC(O)(CNC(=O)c2c[nH]nc2C)C1 1754772051 VJSOJFZWSXZBLI-NSHDSACASA-N 321.381 -0.815 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(NCCN2CCNC2=O)CCC1 1754980562 IGSMGFRLILYQFE-ZDUSSCGKSA-N 322.409 -0.322 30 20 DBED C#CCNCC1(NC(=O)[C@@H](OC)c2cnn(C)c2)CCOCC1 1755096604 BNYDLTBPPXARDJ-AWEZNQCLSA-N 320.393 -0.004 30 20 DBED C#CCNC(=O)CN(C)[C@H](C)CNC(=O)c1cncc(OC)n1 1755318615 BWCMIGJNEOUWNO-LLVKDONJSA-N 319.365 -0.715 30 20 DBED N#CCNC(=O)CN1C[C@H]2CC[C@H]1CN2C(=O)[C@H]1CC1(F)F 1755395028 PNGSEBAEPHNITD-HBNTYKKESA-N 312.320 -0.043 30 20 DBED N#CCNC(=O)CN1C[C@H]2[C@H](CNC(=O)[C@@H]3CC34CC4)[C@H]2C1 1755429873 MAKKOCMESQCUKI-RVMXOQNASA-N 302.378 -0.280 30 20 DBED C#CCNC(=O)CNC[C@H]1C[C@H](NC(=O)c2n[nH]c(C)c2O)C1 1755469275 JWFBRWPKWBPLDE-XYPYZODXSA-N 319.365 -0.729 30 20 DBED C[C@H](CN(C)C(=O)CC[C@H]1CCOC1)NCC(=O)NCC#N 1755584350 WQNOXHCNTODQMS-OLZOCXBDSA-N 310.398 -0.121 30 20 DBED CC(C)(C)C#CC(=O)NC[C@H](CO)NCC(=O)Nc1ccon1 1755628165 QANKIUARSNTTKY-LLVKDONJSA-N 322.365 -0.271 30 20 DBED C#CCCNC[C@@H]1CC[C@H](NC(=O)CN2CC(=O)N(C)C2=O)C1 1755746284 GPYKGBYYXIVRCU-OLZOCXBDSA-N 320.393 -0.222 30 20 DBED COCC(=O)NC[C@@H]1CN(C(=O)CSCC#N)CCCO1 1756837533 DIDGNPQADUNYCK-LLVKDONJSA-N 315.395 -0.377 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)[C@@H](C)n2cccc2)C[C@H]1O 1756985893 UWCHCCYZPXMMMD-MGPQQGTHSA-N 321.377 -0.060 30 20 DBED C=CCCC(=O)N[C@@H]1CN(C(=O)CN2CCCCC2=O)C[C@@H]1O 1757161356 ZFHIGERMNUJAGD-OLZOCXBDSA-N 323.393 -0.347 30 20 DBED C=CCOCC(=O)N1CC[C@@H]1CN(C)C(=O)CS(C)(=O)=O 1757279004 SAAUUXCXYGCLEA-LLVKDONJSA-N 318.395 -0.707 30 20 DBED NS(=O)(=O)CCNN=Cc1n[nH]c2cc(C(=O)O)ccc12 1776046763 GVZOFPUXBWXEPO-UHFFFAOYSA-N 311.323 -0.527 30 20 DBED C=CCC(=O)N1CCO[C@]2(CCN(C(=O)C3=NNC(=O)C3)C2)C1 1778943012 SXLDORDDSIVSDS-OAHLLOKOSA-N 320.349 -0.732 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)CCN1CCCC1)CCO2 1783055846 ZFUGMORCVDCEKQ-KRWDZBQOSA-N 319.405 -0.065 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cscn1 1795803495 RIAUMGPYLSUXCJ-QHBPRCKVSA-N 319.386 -0.092 30 20 DBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CC1)C2 1800778931 WMEHGEHMMNRIPK-GNXNZQSNSA-N 306.318 -0.926 30 20 DBED CC(=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)S 1800984165 KNSQSNBIAOILGP-MMWGEVLESA-N 300.380 -0.517 30 20 DBED N#CCCC(=O)N1CCCC12CN(C(=O)Cn1cnnn1)C2 1842812665 DEOMHSKWDMRKGY-UHFFFAOYSA-N 303.326 -0.820 30 20 DBED C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCN(CC(N)=O)CC1 54481830 RPCBTYHJDZXGLU-LBPRGKRZSA-N 316.361 -0.045 30 20 DBED CCNC(=O)CO/N=C(/N)C1=C(N)C2(CCCC2)N(C)C1=O 63456370 MYBROPVOMZOKII-UHFFFAOYSA-N 309.370 -0.591 30 20 DBED N#CCOc1ccc(CC(=O)N2CCN(CC(N)=O)CC2)cc1 171766492 UMQOLACZWHCUPL-UHFFFAOYSA-N 316.361 -0.239 30 20 DBED C#CCNC(=O)CN1CCN(c2cc(C)nc(COC)n2)CC1 266711365 JFYIRJGASMUZJA-UHFFFAOYSA-N 317.393 -0.197 30 20 DBED C=CCS(=O)(=O)CCNC(=O)NCC1(C(=O)OC)CC1 275006892 RREIWOLLSJPFNQ-UHFFFAOYSA-N 304.368 -0.160 30 20 DBED C[C@H]1C(=O)N(C)S(=O)(=O)N1CC(=O)Nc1cccc(C#N)c1 283409628 ANNAWVDUYHHPCJ-VIFPVBQESA-N 322.346 -0.096 30 20 DBED C[C@H](CCO)NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 290606755 VUYIXWNXZHIMJZ-SNVBAGLBSA-N 311.363 -0.276 30 20 DBED CCN1CCC[C@H]1CN/C(N)=N\CC1(C(N)=O)CCOCC1 303902949 YCJHBLZWMMLTBI-LBPRGKRZSA-N 311.430 -0.343 30 20 DBED CN(C[C@@H](O)CN1CCOCC1)/C(O)=N/[C@H]1CCCOC1 329702628 IGUVURHHNSANEU-QWHCGFSZSA-N 301.387 -0.296 30 20 DBED C[C@@H](CNS(=O)(=O)N(C)C[C@@H](C)C#N)N1CCOCC1 330382858 XPTTUZVOKUYGAH-RYUDHWBXSA-N 304.416 -0.367 30 20 DBED CCCNC(=O)CC/N=C(/O)N1CCS(=O)(=O)C[C@H]1C 330839868 ZEKQFIBGYHDSCE-SNVBAGLBSA-N 305.400 -0.064 30 20 DBED N#C[C@H]1CN(S(=O)(=O)N(C[C@H]2CCOC2)C2CC2)CCO1 336901719 CAJBXSYTEHQSOR-YPMHNXCESA-N 315.395 -0.044 30 20 DBED COCCN(CCC#N)S(=O)(=O)N(C)[C@H](C)C(=O)OC 337154049 MMFGZXSKYIZLSL-SNVBAGLBSA-N 307.372 -0.413 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@@H](C)c1ncn(C)n1 337190793 SBEMAUVMWFCCGH-JTQLQIEISA-N 316.387 -0.427 30 20 DBED C=CCN1CC[C@@H](N2CCC[C@@H](CS(N)(=O)=O)C2)C1=O 337191699 SQJDSDFGTNFBJX-VXGBXAGGSA-N 301.412 -0.226 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H]1C(=O)NCC[C@@H]1C 337206934 NLNOYATULAXWHW-VWYCJHECSA-N 302.400 -0.173 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)NC[C@@H](O)COCC1CC1 337970895 JLAUFNXSHKVIDC-CMPLNLGQSA-N 305.400 -0.158 30 20 DBED CC(C)NC(=O)N1CCC[C@@H]1C(=O)NCCn1cnc(C#N)n1 343037693 NGEREANPQQCSLT-LLVKDONJSA-N 319.369 -0.152 30 20 DBED CCN(CCC#N)S(=O)(=O)CCCS(=O)(=O)N(C)C 344515833 AWWIXOMMBVCWCF-UHFFFAOYSA-N 311.429 -0.167 30 20 DBED C=CCOC[C@@H]1NC(=O)N(CCNC(=O)c2cnccn2)C1=O 348381173 HEELJXDACFEUTJ-NSHDSACASA-N 319.321 -0.671 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)NC[C@@H]2CC[C@H](CO)O2)cc1 349487150 LPUBTAHATCNOPO-UONOGXRCSA-N 317.345 -0.056 30 20 DBED COC(=O)c1cc(C(=O)NCCn2cnc(C#N)n2)cn1C 354328232 MINUXXAKVTUAHO-UHFFFAOYSA-N 302.294 -0.295 30 20 DBED CCC[C@H]1C(=O)NCCN1S(=O)(=O)N(C)C[C@@H](C)C#N 407951659 GDSDNYCPRIGOGT-QWRGUYRKSA-N 302.400 -0.077 30 20 DBED CC(C)(C)[C@@H](C#N)NC(=O)CCn1cc(S(N)(=O)=O)cn1 427484987 YIAPXWGFUCRUNY-SNVBAGLBSA-N 313.383 -0.025 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N[C@H]1CCS(=O)(=O)[C@H]1C 431628475 QCBUUUPAEUDCJD-UTLUCORTSA-N 309.413 -0.512 30 20 DBED CCNC(=O)[C@@H](Nc1c(C#N)c(=O)n(C)c(=O)n1C)C(C)C 432145167 PKAWAAOURHEYBP-JTQLQIEISA-N 307.354 -0.472 30 20 DBED C#CCN1CCN(C(=O)CN2C(=O)[C@@H]3CSCN3C2=O)CC1 491710664 RUWKCPCCZQVZIC-NSHDSACASA-N 322.390 -0.899 30 20 DBED CN(C)S(=O)(=O)N(C)CC(=O)Nc1cc(CC#N)ccn1 520238482 LFTDZUUTFLNARA-UHFFFAOYSA-N 311.367 -0.176 30 20 DBED C=CCN(CCOC)C(=O)N[C@H]1CCN(S(C)(=O)=O)C1 564660152 DNTQFZQWHOIJAC-NSHDSACASA-N 305.400 -0.136 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N2CCC(CCO)CC2)CCO1 580584386 FVODBEKWGAZRNC-GFCCVEGCSA-N 303.384 -0.450 30 20 DBED N#CC1(CNC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)CC1 584507928 UPFQEIAGOTZLOQ-LSKIRQOJSA-N 303.318 -0.431 30 20 DBED CS(=O)(=O)N1CCN(C(=O)c2cc(O)cc(C#N)c2)CC1 589158491 FCVMHQILGUSYNG-UHFFFAOYSA-N 309.347 -0.019 30 20 DBED CN(C)c1ccc(NC(=O)C(=O)N2CC[C@](O)(CC#N)C2)cn1 592303981 BKYSPORYQJFZTL-OAHLLOKOSA-N 317.349 -0.037 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@@]1(C(=O)O)CCOC1 593271333 KBPKZXCUQXCBCL-ONGXEEELSA-N 305.356 -0.454 30 20 DBED Cc1cc(NC(=O)C(=O)N2CCC[C@@H]2[C@H](C)O)nn1CCC#N 595179193 SOKVYLDCLGGTMY-NWDGAFQWSA-N 319.365 0.416 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1Cc2cncnc2C1 601427206 XZNKEYMRXJCNQI-UHFFFAOYSA-N 311.367 -0.101 30 20 DBED CN(C)S(=O)(=O)N1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 611029051 FUSAHXFTUZZLKT-UHFFFAOYSA-N 311.367 -0.549 30 20 DBED C=C[C@H](Nc1cnn(CC(=O)N2CCOCC2)c1)C(=O)OC 619703652 QCLNDQKDTBNDCV-LBPRGKRZSA-N 308.338 -0.119 30 20 DBED C=C(C)COCCNC(=O)N[C@H]1CS(=O)(=O)C[C@@H]1OC 660908356 YRJALKHFUVDARD-QWRGUYRKSA-N 306.384 -0.310 30 20 DBED C=CCN(C)C(=O)C(=O)N[C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O 685170845 UYKVKVUGOJESTI-PWSUYJOCSA-N 319.365 -0.326 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)[C@H](CC)N1CCCC1=O 745701130 XSZXVORKWUSWSR-JTQLQIEISA-N 311.338 -0.058 30 20 DBED C#CCOCCC(=O)NCCNS(=O)(=O)Cc1ccon1 755951054 FRNYKEVIQLUDNS-UHFFFAOYSA-N 315.351 -0.750 30 20 DBED C#CCOCCNC(=O)N1C[C@@H](CO)C[C@H](OCCOC)C1 774951354 RONJWAVGXUAVDP-KBPBESRZSA-N 314.382 -0.308 30 20 DBED C#CCOCCNC(=O)C(=O)Nc1cccc(-n2cnnn2)c1 785155983 DFRKZTXTXSNBRI-UHFFFAOYSA-N 314.305 -0.633 30 20 DBED Cn1cnc(C(=O)NS(=O)(=O)c2cccc(F)c2C#N)n1 810701567 ICUJTLKWUHPFFO-UHFFFAOYSA-N 309.282 -0.055 30 20 DBED C=CCCOCC(=O)NS(=O)(=O)N1CCN(C(C)=O)CC1 813945323 GOJDHLXZLFXNHB-UHFFFAOYSA-N 319.383 -0.896 30 20 DBED C=C[C@H](O)C(=O)O[C@H](C(=O)N1CCN(C(C)=O)CC1)C(C)C 814547757 GRVRAATVRDFZKS-STQMWFEESA-N 312.366 -0.208 30 20 DBED C[C@](C#N)(CC(=O)O)C(=O)NCCS(=O)(=O)CC1CC1 819842235 LTPPMPRTRCKATP-GFCCVEGCSA-N 302.352 -0.068 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N1C[C@@H](C(=O)O)[C@@H](C)C1 833377772 BCBZEWHUIGQZKF-VHSXEESVSA-N 304.368 -0.051 30 20 DBED CN(C)S(=O)(=O)c1cc(C(=O)N[C@@H]2CNC[C@@H]2C#N)co1 834479728 HXYNLLCGMWVNKO-VHSXEESVSA-N 312.351 -0.629 30 20 DBED C#CC[C@H](CO)NC[C@@H](O)Cn1c(-c2ccccc2)noc1=O 843077364 NXZOXVWISMCGGW-ZIAGYGMSSA-N 317.345 -0.162 30 20 DBED Cc1cc(C(=O)N[C@H]2CNC[C@H]2C#N)c2c(O)nn(C)c2n1 844194956 OGVCBWPDYWENMF-SCZZXKLOSA-N 300.322 -0.176 30 20 DBED C#CCC[C@@H](O)CNC(=O)c1cc(S(N)(=O)=O)cnc1C 848035493 WCGPGVVZYOQAJU-SNVBAGLBSA-N 311.363 -0.458 30 20 DBED C=C(C)CNC(=N)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 848994338 DMWJEZGNHCCBAA-SNVBAGLBSA-N 302.400 -0.630 30 20 DBED C[C@H]1CN(C(=O)C(=O)Nc2cnn(CC#N)c2)C[C@]1(C)CO 850707111 OUVJZHHHUQBWKM-IINYFYTJSA-N 305.338 -0.178 30 20 DBED C#CCNC(=O)CN(CCN1CCOCC1)[C@H]1CCSC1 878871733 OFLHMHPQXSMWRX-AWEZNQCLSA-N 311.451 -0.125 30 20 DBED CN1C[C@H](N(C)c2c(C#N)c(=O)n(C)c(=O)n2C)CCC1=O 895953568 OTQSZWBRCBSSEG-SECBINFHSA-N 305.338 -0.987 30 20 DBED C#CCN(C(=O)Cn1cc(C#N)c(O)nc1=O)C1CSC1 912361635 KLSVTCULDGLABV-UHFFFAOYSA-N 304.331 -0.602 30 20 DBED N#Cc1cc(C(=O)N[C@H]2CCN(C(=O)[C@H]3COC(=O)N3)C2)c[nH]1 937851550 PYOLOIZKMJXWFT-GXSJLCMTSA-N 317.305 -0.675 30 20 DBED C#Cc1cncc(C(=O)N[C@H]2CCN(C(=O)Cn3cncn3)C2)c1 938705355 JEQYUIQKYUVAOE-AWEZNQCLSA-N 324.344 -0.315 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](NC(=O)c2cc(C(N)=O)ccn2)C1 941489512 KGEYODUZRZRRBS-GXSJLCMTSA-N 315.333 -0.329 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2cnon2)C1 942450640 SCNXASXCMYZVHM-FOGDFJRCSA-N 306.322 -0.009 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CCCCN(C(=O)C(N)=O)C2)nc1 943402677 DKLSMLMGMRWGCI-GFCCVEGCSA-N 314.345 -0.341 30 20 DBED C#CCCN1CC[C@H](NC(=O)CN2CC(=O)N(C)C2=O)[C@@H](C)C1 944135103 IMANMAVRLXHHLZ-STQMWFEESA-N 320.393 -0.270 30 20 DBED O=C(CN1CCOCC1)N[C@H]1[C@H]2C[C@H]1N(C(=O)C#CC1CC1)C2 946955102 GSKOGCKSERSMJZ-VBQJREDUSA-N 317.389 -0.553 30 20 DBED C=CCCN1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C[C@@H]1C 947323829 NEEQJFVKSZQXQK-RYUDHWBXSA-N 320.397 -0.078 30 20 DBED C#Cc1ccc(C(=O)N2CC(N(C)C(=O)c3cnn[nH]3)C2)cn1 954727833 RBANEDRYMFABRD-UHFFFAOYSA-N 310.317 -0.222 30 20 DBED C[C@@H](C#N)C(=O)N1CC(N(C)C(=O)c2cc(C(N)=O)ccn2)C1 954742759 RFDXDPHCTFGUOW-VIFPVBQESA-N 315.333 -0.377 30 20 DBED C#Cc1ccc(C(=O)N(C)C2CN(C(=O)Cn3cncn3)C2)cn1 954911980 DBTGBRLQXMXWJC-UHFFFAOYSA-N 324.344 -0.363 30 20 DBED C=CCN1C[C@H](CNC(=O)c2cccn3nnnc23)[C@@H](O)C1 958092281 PUNVMILHYCWTBW-JQWIXIFHSA-N 302.338 -0.667 30 20 DBED CC#CCN1C[C@H](CNC(=O)c2cc(CN(C)C)on2)[C@@H](O)C1 958200236 OSOSTAADISYAGP-WFASDCNBSA-N 320.393 -0.218 30 20 DBED CN1CC[C@H](N2C[C@H]3[C@H](NC(=O)c4ccc(C#N)[nH]4)[C@H]3C2)C1=O 958589697 FKOWYJZEQMGVFP-UZGDPCLZSA-N 313.361 -0.223 30 20 DBED C#CCCN1C[C@@H]2C(NC(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)[C@H]2C1 961742398 HJQFPVFTKLCGTL-FQUUOJAGSA-N 319.405 -0.308 30 20 DBED N#CCN1C[C@H]2C(NC(=O)c3cc4c(O)ncnc4cn3)[C@@H]2C1 962442799 SGLYNFJFXIKRKJ-NXEZZACHSA-N 310.317 -0.086 30 20 DBED C#CCN1C[C@@H]2C(NC(=O)c3ccc(=O)n(CCC)n3)[C@H]2C1 962527036 NHRGFCNTSICGLG-RYUDHWBXSA-N 300.362 -0.054 30 20 DBED CCCn1nccc1C(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1O 965255273 FBMBOVAQOJGISW-LOWVWBTDSA-N 319.365 -0.246 30 20 DBED C=C(C)CN[C@@H]1CCN(C(=O)C2(n3cnnn3)CCOCC2)C1 970231777 YXFAFQRENZOHOV-CYBMUJFWSA-N 320.397 -0.055 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]2CCN(C(=O)Cn3nccn3)[C@H]2C1 975972786 SUNHYZHKRRPNGS-AVGNSLFASA-N 316.365 -0.113 30 20 DBED CN(C(=O)C(N)=O)[C@@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1 984038593 KJBITMAEMBAUKL-SNVBAGLBSA-N 303.322 -0.565 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)c3cnn[nH]3)C[C@H]2C1 986597799 KRCMEHNFGVYZNU-AXFHLTTASA-N 302.338 -0.115 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC(NC(=O)C[C@@H]3COC(=O)C3)C2)c1 990830727 FZRDZIGYADHOCY-VIFPVBQESA-N 316.317 -0.220 30 20 DBED Cc1nc(CC(=O)N2CC(NC(=O)c3c[nH]c(C#N)c3)C2)n[nH]1 990930437 GKZVPZYRYOQCAO-UHFFFAOYSA-N 313.321 -0.504 30 20 DBED N#Cc1cc(C(=O)N[C@H]2CCN(C(=O)C3CC3)C[C@H]2O)c[nH]1 991401880 RNXCYZNNIAVWLP-QWHCGFSZSA-N 302.334 -0.012 30 20 DBED C=CCn1cc(C(=O)NC2CN(C(=O)c3ccnnc3)C2)nn1 991676047 JUSAUZZHYXYPBU-UHFFFAOYSA-N 313.321 -0.492 30 20 DBED C#CCCN1CCC[C@H](NC(=O)CN2C(=O)CNC2=O)[C@H]1C 994359642 BCBSDHPGUJTVEF-NEPJUHHUSA-N 306.366 -0.469 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](NCCN2C(=O)CNC2=O)C(C)(C)C1 995566949 VHFWDNWFTHRSBZ-GHMZBOCLSA-N 321.381 -0.476 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@H]2CN(C(C)=O)CCO2)CC1(C)C 996574494 NFNGKPYWTFIAQG-ZIAGYGMSSA-N 307.394 -0.307 30 20 DBED C#CCN1CC=C(CNC(=O)[C@H]2CCc3nnc(O)n3C2)CC1 1000857146 FIJAFHRFCRYQSA-ZDUSSCGKSA-N 315.377 -0.072 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CN(C(=O)c2nc[nH]n2)C1 1002194621 FXHWHXDRNZQOPS-RYUDHWBXSA-N 319.365 -0.026 30 20 DBED CC(=O)N1CC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H](C)C#N)C1 1002262943 YVJXZJKTYFWJMT-VKKKGTNTSA-N 318.377 -0.128 30 20 DBED C[C@@H](C#N)C(=O)N1CC(CNC(=O)c2coc(C(N)=O)c2)C1 1003291086 VCTGGTVTTQKMRE-QMMMGPOBSA-N 304.306 -0.274 30 20 DBED C[C@@H](C#N)C(=O)N1CC([C@H](C)NC(=O)c2cnn(C)c2N)C1 1005953938 PZCWRZVSLTVFBJ-IUCAKERBSA-N 304.354 -0.261 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@]2(CCN(C(=O)c3nc[nH]n3)C2)C1 1007695304 UYMDKUQGYWTKGD-HZMBPMFUSA-N 318.337 -0.592 30 20 DBED O=C1CC[C@H](CC(=O)N2CCN(C(=O)C#CC3CC3)CC2)N1 1011108041 IFDNFMDRHHHWRY-CYBMUJFWSA-N 303.362 -0.261 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCN([C@H]3CCN(C)C3=O)C2)nn1 1015810861 STDLLRRWMORKGA-AAEUAGOBSA-N 318.381 -0.501 30 20 DBED C=C(Cl)CN1CC[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)C1 1015989516 RGPAJCLLUFRNCQ-VIFPVBQESA-N 322.756 -0.026 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2C[C@H]3CC[C@H]2N(C(=O)C(N)=O)C3)c1 1026054448 BFKHZNDJOBOUBB-HLUHBDAQSA-N 315.333 -0.519 30 20 DBED C#Cc1ccc(C(=O)NC2CN([C@H](C)c3nnnn3C)C2)cn1 1031278053 AWNYGJSWQMZCLG-SNVBAGLBSA-N 311.349 -0.238 30 20 DBED C=CCCN1CCO[C@H](CNC(=O)c2cn(C)c(=O)cn2)C1 1035449948 MQMMKXGAGUXBSP-GFCCVEGCSA-N 306.366 -0.213 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)[C@@H]2CN(C(C)C)CCO2)C1 1035482840 KBPCXSCODNKPHY-GJZGRUSLSA-N 309.410 -0.454 30 20 DBED C#CCN[C@H]1CCN(C(=O)Cn2nc(C)n(C)c2=O)C[C@@H]1C 1036277841 YEPCDEQNPWJJOO-AAEUAGOBSA-N 305.382 -0.650 30 20 DBED C#CCCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)Cn1nc(C)ccc1=O 1037685094 YBRXWEPUVPLILO-DVOMOZLQSA-N 300.362 -0.236 30 20 DBED C#CCOCCC(=O)NC[C@]1(O)CCN(C(=O)c2cc[nH]c2)C1 1039720555 CCUWPVPVDKCHRD-MRXNPFEDSA-N 319.361 -0.252 30 20 DBED C=CCCC(=O)N1CC[C@](O)(CNC(=O)C[C@@H]2CCNC2=O)C1 1040063421 DDEGLOZRNZOZPG-LRDDRELGSA-N 323.393 -0.442 30 20 DBED COCC(C)(C)C(=O)NC[C@]1(O)CCN(C(=O)[C@H](C)C#N)C1 1040296267 NETWADDBMUEIDI-IAQYHMDHSA-N 311.382 -0.102 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@]2(CCN(Cc3nc(=O)n(C)[nH]3)C2)C1 1041146363 MHYSZAGBIKORGE-IAQYHMDHSA-N 318.381 -0.308 30 20 DBED Cc1cnc(C(=O)NCC2(O)CN(C(=O)[C@@H](C)C#N)C2)cn1 1041279314 AOCZGLCQNOBXBZ-VIFPVBQESA-N 303.322 -0.752 30 20 DBED N#CCSCC(=O)N1CC(O)(CNC(=O)c2ccon2)C1 1041699110 MLOGMINDWLJKBT-UHFFFAOYSA-N 310.335 -0.766 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)c2[nH]c(C)nc2C)C1 1042052208 GLYBKCMMMAKABW-UHFFFAOYSA-N 322.365 -0.468 30 20 DBED C=CCOCCCC(=O)NCC1(O)CN(C(=O)[C@H](C)C#N)C1 1042307590 XDEWWEIIQJRILP-GFCCVEGCSA-N 309.366 -0.182 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)Cc2cccnc2)C1 1042562340 ZZZBJCJZPSLFJM-NSHDSACASA-N 302.334 -0.527 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)[C@H]2C[C@@H]2C(F)F)C1 1042865553 QKTXBHQZTRSXTP-VGMNWLOBSA-N 301.293 -0.263 30 20 DBED CO[C@H]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)C#CC3CC3)C2)C1 1042963338 MCNZNQQXTXVCNR-KGLIPLIRSA-N 320.389 -0.096 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2ccncc2)C1 1043042151 MRQXPEXSUBKQLS-LBPRGKRZSA-N 317.345 -0.577 30 20 DBED CCn1ccc(CC(=O)NCC2(O)CN(C(=O)[C@H](C)C#N)C2)n1 1043279656 UCAFTHFNWBQQKR-LLVKDONJSA-N 319.365 -0.705 30 20 DBED C=C(Cl)CN1CC(N(C)C(=O)CN2CCNC(=O)C2)C1 1043517029 LLBDFPOFAMZIBF-UHFFFAOYSA-N 300.790 -0.687 30 20 DBED C=CCN1CC[C@@H](N2CC(N(C)C(=O)[C@@H]3[C@H]4COC[C@H]43)C2)C1=O 1043581648 IYXMEDMMZLTBLJ-BARDWOONSA-N 319.405 -0.192 30 20 DBED C=C(C)CCC(=O)N1CC(O)(CNC(=O)c2cnn(C)n2)C1 1043887805 XXDASRXFJMRABF-UHFFFAOYSA-N 307.354 -0.526 30 20 DBED N#Cc1cnccc1N1C[C@H](O)[C@H](NC(=O)CN2CCCC2)C1 1043971328 GKRBVCXGTMCYCF-HIFRSBDPSA-N 315.377 -0.285 30 20 DBED C=C(C)CN[C@@H]1CCN(C(=O)CN2CCNC(=O)C2)[C@H](C)C1 1044703490 VEWUCCOMMGCMRL-ZIAGYGMSSA-N 308.426 -0.037 30 20 DBED C[C@H]1C[C@H](NCC#N)CCN1C(=O)CN1CC(=O)N(C)C1=O 1044816022 IPKPNKYSPOWQGA-WDEREUQCSA-N 307.354 -0.627 30 20 DBED C=CCCCC(=O)NCC1(O)CN(C(=O)c2ncn(C)n2)C1 1045451616 YFQRSLLIPIWJJD-UHFFFAOYSA-N 307.354 -0.526 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)[C@H](C2CC2)N(C)C)C1 1045552154 QAGBSCOBMSQVNB-PWSUYJOCSA-N 308.382 -0.824 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)[C@@H](C2CC2)N(C)C)C1 1045552155 QAGBSCOBMSQVNB-ZYHUDNBSSA-N 308.382 -0.824 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)c2ccnnc2)C1 1047130852 ATOPZVAOKSTVQU-UHFFFAOYSA-N 304.350 -0.008 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cn3c(n2)CCC3)C1 1047385091 YGLBJGAJEVKOMA-KBPBESRZSA-N 302.378 -0.030 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@]2(C)CCNC(=O)C2)C1 1047428846 RMTQEJSZVSMMEE-HEHGZKQESA-N 307.394 -0.571 30 20 DBED C=C(C)CN1C[C@H](O)[C@@H](N(C)C(=O)C(=O)N2CC[C@H](C)C2)C1 1047592717 FBGCLQFIOWUIBC-IHRRRGAJSA-N 309.410 -0.066 30 20 DBED C[C@@H](C(=O)N1C[C@@H]2CN(CC#N)C[C@@H]2C1)N1C(=O)CCC1=O 1048848862 WLBYRRCMVGGOID-SDDRHHMPSA-N 304.350 -0.562 30 20 DBED Cn1cnn(CCC(=O)N2CCC[C@@H]3[C@H]2CCN3CC#N)c1=O 1049613025 ORVNLXKNJZGDEN-CHWSQXEVSA-N 318.381 -0.439 30 20 DBED C[C@@H]1[C@@H](NC(=O)[C@H]2CCC(=O)N2)CCN1c1ccnc(C#N)n1 1050096079 KXCXNOGBASNISK-OUAUKWLOSA-N 314.349 -0.290 30 20 DBED C[C@@H]1[C@@H](NC(=O)c2cn(C)nn2)CCN1c1ccc(C#N)nn1 1050240467 PRMNLWVOOMXBJM-KOLCDFICSA-N 312.337 -0.126 30 20 DBED N#Cc1ccc(N2CC[C@@H](NC(=O)c3cocn3)[C@H](O)C2)nn1 1051640122 VZMZGJJKIQFRFR-ZYHUDNBSSA-N 314.305 -0.294 30 20 DBED C#CCN1CC2(C1)CN(C(=O)[C@H](C)[C@@H]1CCC(=O)N1)CCO2 1053442336 JOOVLSQNTUBKJN-OLZOCXBDSA-N 305.378 -0.553 30 20 DBED C=CCN1CC2(C1)CN(C(=O)CN1C(=O)CCC1=O)CCO2 1053527012 GLGRRUQNHIGECJ-UHFFFAOYSA-N 307.350 -0.765 30 20 DBED CCN1C[C@@H](C(=O)N[C@H]2COC3(C2)CN(CC#N)C3)CC1=O 1053821929 BCYZIDDOSVXCPI-NWDGAFQWSA-N 306.366 -0.662 30 20 DBED CNC(=O)CC(=O)N1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C)C#N 1056541072 RRFYIIPMSJUNFQ-QJPTWQEYSA-N 306.366 -0.126 30 20 DBED Cc1nonc1CC(=O)NCCN(CCO)C(=O)C#CC1CC1 1057533898 YXICOGRUVKJGPM-UHFFFAOYSA-N 320.349 -0.729 30 20 DBED C=CCCOCC(=O)N(CCO)CCNC(=O)c1cc[nH]n1 1057919359 XMUUQMHFRSKKDG-UHFFFAOYSA-N 310.354 -0.447 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)[C@@H](C)OCC=C 1057921459 IDVUNGWFPZLUBC-CYBMUJFWSA-N 314.382 -0.283 30 20 DBED CN1CCCC[C@H]1C(=O)N(CCO)CCNC(=O)C#CC1CC1 1058038758 FQOGHSKHWOBQGN-HNNXBMFYSA-N 321.421 -0.179 30 20 DBED N#Cc1cnc(N2CCC[C@H](NC(=O)[C@@H]3COC(=O)N3)C2)cn1 1058151871 FKEFSZCAULLDSN-ONGXEEELSA-N 316.321 -0.458 30 20 DBED CN1CCO[C@H](C(=O)N[C@@H]2CCN(c3ccc(C#N)nc3)C2)C1 1058316637 DDGXTAYXHWYBBS-HIFRSBDPSA-N 315.377 -0.021 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)CCCn1cncn1 1058657265 UWKBRGWKDMUNGY-LBPRGKRZSA-N 322.369 -0.845 30 20 DBED CN1C[C@H](C(=O)N2CC[C@H](N=c3cc[nH]cc3C#N)C2)CC1=O 1059097650 KVALQIAAGXOFFG-YPMHNXCESA-N 313.361 -0.134 30 20 DBED CC(=O)N(C)CC(=O)N1CC[C@H](CCNC(=O)[C@H](C)C#N)C1 1059199335 DIHFAPZTQFLVHO-YPMHNXCESA-N 308.382 -0.021 30 20 DBED N#Cc1cnc(N2CCC[C@@H]2CNC(=O)[C@@H]2CCC(=O)N2)cn1 1061379160 IARLCMYMFLFRGM-NEPJUHHUSA-N 314.349 -0.288 30 20 DBED C=CCO[C@H](C)C(=O)NC[C@@H]1COCCN1C(=O)COC 1061667507 HIERZZPMRWIKEV-VXGBXAGGSA-N 300.355 -0.433 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@@H]1CNC(=O)CC(N)=O 1062354209 WNQAXMWGYOLSBY-UPJWGTAASA-N 323.393 -0.050 30 20 DBED CN(C(=O)Cn1ncnn1)[C@@H]1CCN(c2cncc(C#N)n2)C1 1062979551 CTDFFLVYZVWHGY-LLVKDONJSA-N 313.325 -0.928 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)[C@H]2COCCN2C)CCC1 1064302059 CCCBJADBOANMLF-VXGBXAGGSA-N 308.382 -0.368 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)CCOC)CCO1 1064706562 VXXVLDXGPIPIRC-GFCCVEGCSA-N 300.355 -0.431 30 20 DBED N#Cc1cnc(N2CCOC[C@H]2CNC(=O)c2cnn[nH]2)cn1 1066531628 UJFPDRRZTFYJFD-SNVBAGLBSA-N 314.309 -0.898 30 20 DBED N#Cc1c(F)cccc1NCC1(O)CCN(C(=O)C(N)=O)CC1 1067485091 LLLNWLAMXKZSDL-UHFFFAOYSA-N 320.324 -0.052 30 20 DBED C#CCOCCC(=O)N1CCC[C@]2(CCN(C(=O)C(N)=O)C2)C1 1069750899 MTXKIYDCFQAXSV-INIZCTEOSA-N 321.377 -0.647 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)CC(=O)N(C)C)CCOCC1 1070232343 HVOCLPLNOTUJHT-LLVKDONJSA-N 324.381 -0.594 30 20 DBED C[C@@H]1CCCN1CC(=O)N1C[C@H](n2ccnn2)[C@H](NCC#N)C1 1070274164 VLCJUYFVMAEFRJ-MCIONIFRSA-N 317.397 -0.373 30 20 DBED C#CCOCCC(=O)N1CCC[C@@H](NC(=O)[C@@H](C)CC(N)=O)C1 1070730406 FWMINXIZBJDYKZ-QWHCGFSZSA-N 323.393 -0.355 30 20 DBED N#CCN1C[C@H]2C[C@H]3CN(C(=O)c4n[nH]cc4F)C[C@@]3(C1)O2 1070848647 UIZWEQLAVFXYKD-IMSIIYSGSA-N 305.313 -0.012 30 20 DBED CC#CCN1CC[C@@]2(C1)CN(C(=O)Cn1ncnn1)C[C@H](C)O2 1071168806 HWXZNFNHMYKNDC-DZGCQCFKSA-N 318.381 -0.612 30 20 DBED C=CCOCC(=O)N1C[C@@H](NC(=O)CNC(=O)OC)[C@H](C)C1 1071807895 CAASZQJNUYPWSR-GHMZBOCLSA-N 313.354 -0.492 30 20 DBED COCC(=O)N[C@H](C)C(=O)N[C@@H](C)CCNC(=O)C#CC1CC1 1076432490 SLYHQKXXEFBCDL-NWDGAFQWSA-N 323.393 -0.438 30 20 DBED C#CCO[C@H](C)C(=O)NCC[C@H](C)NC(=O)Cc1nnc(C)o1 1076507497 JATZDQBGNWENBS-WDEREUQCSA-N 322.365 -0.030 30 20 DBED C[C@H]1CCc2nc(C(=O)N[C@@H]3CN(CC#N)C[C@H]3O)cn2C1 1077224769 BLBKIGMHDSSJAT-DMDPSCGWSA-N 303.366 -0.236 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H](C)CCNC(=O)c1cnn(C)n1 1077386261 GFMCRBLYLCXAKX-WDEREUQCSA-N 307.354 -0.522 30 20 DBED CCCCN1CCOC[C@H]1C(=O)N[C@@H]1CN(CC#N)C[C@H]1O 1077444362 VKESRFVNFXCYFL-HZSPNIEDSA-N 310.398 -0.828 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2COCCN2CCCC)C1 1077447859 QAUSHVCKBIHQPU-OWCLPIDISA-N 323.437 -0.328 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2COCCN2C2CCCC2)C1 1077560718 CWWXNRPTJCYBQC-OWCLPIDISA-N 323.437 -0.023 30 20 DBED C[C@@H](CCNC(=O)[C@@H](C)C#N)NC(=O)[C@H](C)N1CCOCC1 1078136488 NLNLSCBMOHRPMJ-AVGNSLFASA-N 310.398 -0.122 30 20 DBED C=CCCC(=O)N1CC(N(CC)C(=O)Cn2c(O)nnc2O)C1 1080201146 RRQZPNPNIPGRSU-UHFFFAOYSA-N 323.353 -0.285 30 20 DBED CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)[C@H]2CCC(=O)NC2)C1 1080421935 VOEMADVPALKCQW-QWRGUYRKSA-N 306.366 -0.268 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)[C@H]2C[C@H]2C(N)=O)C1 1080565733 UNLGYTLPYMGKGX-UHTWSYAYSA-N 323.393 -0.242 30 20 DBED C=CCOCC(=O)N1C[C@H](CNC(=O)C(C)(C)F)[C@@H](O)C1 1081170369 YASTUTBXQMOBTR-QWRGUYRKSA-N 302.346 -0.127 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cncnc2)C1 1081424192 BLBMAXDRFJPNGN-OLZOCXBDSA-N 320.349 -0.772 30 20 DBED Cc1ncc(C(=O)N2C[C@@H](O)[C@H](CNC(=O)C#CC(C)C)C2)[nH]1 1081464113 VSIYLKTZSHWHPQ-TZMCWYRMSA-N 318.377 -0.073 30 20 DBED C=CCCC(=O)N1C[C@H](CNC(=O)c2nonc2C)[C@@H](O)C1 1081579533 BRRUPLAOGZHARD-QWRGUYRKSA-N 308.338 -0.107 30 20 DBED C=CCOCC(=O)N1C[C@H](CNC(=O)[C@@H]2[C@H]3COC[C@H]32)[C@@H](O)C1 1081672065 SXSGUIBKHONBGC-DKBOKBLXSA-N 324.377 -0.983 30 20 DBED Cc1cccn(CC(=O)N2CCO[C@@H]3CN(CC#N)C[C@@H]32)c1=O 1083080719 CFGAFQRHVLCXAA-UONOGXRCSA-N 316.361 -0.408 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cccc(=O)n1C 1083188776 LOUUFCRJGLMYQG-LSDHHAIUSA-N 315.373 -0.066 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2COCCN2C2CCCC2)C1 1083722978 PUDUYSCGUUVCCR-PMPSAXMXSA-N 321.421 -0.576 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2nc3ccccn3c2F)C1 1083917730 FLIBAVOGUCBBRM-MNOVXSKESA-N 302.309 -0.119 30 20 DBED C#CCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCc2nnnn2CC1 1085829446 XSJBORBJZGZODS-CHWSQXEVSA-N 302.382 -0.209 30 20 DBED C=CCN1CC[C@H](N[C@H]2C[C@H](CNC(=O)c3cnn[nH]3)C2)C1=O 1086415314 IYXWJJLKVWIAEE-SRVKXCTJSA-N 318.381 -0.310 30 20 DBED C#CCN1C[C@H]2CC[C@H]1[C@@H]1CN(C(=O)Cn3cnnc3O)C[C@@H]21 1087351203 OHURVPNOFCRJKH-RQJABVFESA-N 315.377 -0.214 30 20 DBED C#CCN1C[C@H]2CC[C@H]1[C@H]1CN(C(=O)Cn3ncnn3)C[C@H]21 1087358239 DBMAKFQKPDZGSW-MQYQWHSLSA-N 300.366 -0.525 30 20 DBED Cc1cc(=O)c(C(=O)N[C@H]2CCN(CC#N)C[C@H]2O)cn1C 1090341023 FVKICFDAPYPANM-GXTWGEPZSA-N 304.350 -0.618 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CCN(CCOC)C[C@H]2O)cn1 1090739963 QGDYSEUFUONSGS-HUUCEWRRSA-N 303.362 -0.126 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CN(c2snc(C)c2C#N)C[C@@H]1O 1091062164 ALJZSACZUCCFHU-MNOVXSKESA-N 323.378 -0.875 30 20 DBED CCO[C@H](C)C(=O)N[C@@H]1CN(c2nc(C)cc(C#N)n2)C[C@@H]1O 1091067125 PJOOMIABUMXALJ-RTXFEEFZSA-N 319.365 -0.253 30 20 DBED CN(C)C(=O)CC(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@@H]1O 1091188294 YDMMZEUGCQWIDS-YPMHNXCESA-N 317.349 -0.903 30 20 DBED N#CCNC1CC(CNC(=O)[C@H]2CCc3nnnn3CC2)C1 1091243307 BMRHJEMSYSYBLP-CXQJBGSLSA-N 303.370 -0.366 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CCN(c2ccc(C#N)cn2)C[C@@H]1O 1092130402 VUHNXYBJWRHWSG-OLZOCXBDSA-N 317.349 -0.855 30 20 DBED CC(=O)N1CCC[C@@H]1C(=O)NCCN=c1cc[nH]c(C#N)n1 1093683616 DIQIWMGHQUKZNP-LLVKDONJSA-N 302.338 -0.691 30 20 DBED CO[C@H]1COCC[C@@H]1CC(=O)NCCN=c1cc[nH]c(C#N)n1 1093934906 IOMTXUVRLALIDK-NEPJUHHUSA-N 319.365 -0.260 30 20 DBED N#CCN1CC(N2C[C@H](NC(=O)[C@@H]3CCCOCC3)CC2=O)C1 1094733845 OJESMMQQOBZSDB-CHWSQXEVSA-N 320.393 -0.272 30 20 DBED C[C@]1(C(=O)NCCCN=c2cc[nH]cc2C#N)CCNC1=O 1094781073 PTMWZFSUGIAJJJ-OAHLLOKOSA-N 301.350 -0.180 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)C[C@H]3CCC(=O)N3)CC2=O)C1 1094795634 UXPAVRXFDXZSTA-NEPJUHHUSA-N 320.393 -0.758 30 20 DBED CNC(=O)NCC(=O)NCCCNc1ncc(C#N)cc1F 1094856972 AFNUHTGDISSMCY-UHFFFAOYSA-N 308.317 -0.060 30 20 DBED COC(=O)NCC(=O)N1CCCN(c2nccnc2C#N)CC1 1095168549 WJLSZYAIJKTNDL-UHFFFAOYSA-N 318.337 -0.257 30 20 DBED CNC(=O)NCC(=O)NC1CCN(c2nccnc2C#N)CC1 1095449762 OCPRNBDOMUWPFY-UHFFFAOYSA-N 317.353 -0.638 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CCN(c2nccn3nnnc23)C1 1096393310 KNNXHJAYWCEFPM-WDEREUQCSA-N 317.353 -0.195 30 20 DBED CNC(=O)C1(C(=O)N[C@H]2CCN(c3cnc(C#N)cn3)C2)CC1 1096396507 YOKPQPMQKLGQSS-JTQLQIEISA-N 314.349 -0.431 30 20 DBED C[C@H](CC(N)=O)C(=O)N[C@@H]1CCN(c2cncc(C#N)n2)C1 1096457425 IYTFHYUJHCSQJO-NXEZZACHSA-N 302.338 -0.445 30 20 DBED CC(C)(C(N)=O)C(=O)N[C@H]1C[C@@H](N=c2cc[nH]c(C#N)n2)C1 1097228118 VLASSVOWLDAUQG-DTORHVGOSA-N 302.338 -0.659 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC(N(CCO)CCOC)CC1 1098368933 MIWVHOZBAWIRRO-CQSZACIVSA-N 312.410 -0.044 30 20 DBED CC#CCN(CCO)C1CCN(C(=O)c2c[nH]c(=O)cn2)CC1 1098462369 QRLCOCWUEAUOPM-UHFFFAOYSA-N 318.377 -0.308 30 20 DBED C#CCN(CCO)C1CCN(C(=O)[C@]2(C)CCNC2=O)CC1 1098477983 QTGJTOGRKQDDAR-MRXNPFEDSA-N 307.394 -0.569 30 20 DBED C[C@H](CCNC(=O)[C@@H]1CNC(=O)N1)N=c1cc[nH]cc1C#N 1099683035 UBRSZTUVPZRNON-SKDRFNHKSA-N 302.338 -0.637 30 20 DBED C[C@H](CCNC(=O)[C@@H]1CNC(=O)N1)Nc1ccc(C#N)nc1 1099683297 ZKNFVTWRNMMYJL-SKDRFNHKSA-N 302.338 -0.059 30 20 DBED N#CCNC(=O)CN1CC[C@H](NC(=O)C2(C3CC3)CC2)[C@H](O)C1 1099885664 QHVQTADQVLMJNW-QWHCGFSZSA-N 320.393 -0.632 30 20 DBED CCC(=O)NCC(=O)NC[C@H]1CCN(c2cncc(C#N)n2)C1 1100952359 XBYRBHMBZOHLEQ-LLVKDONJSA-N 316.365 -0.183 30 20 DBED COC[C@@H](OC)C(=O)NC[C@H]1CCN(c2cnc(C#N)cn2)C1 1101050510 JPYITJYSKJNTAF-DGCLKSJQSA-N 319.365 -0.048 30 20 DBED CN(C)C(=O)CC(=O)NC[C@H]1CCN(c2nccnc2C#N)C1 1101060579 FUFZITLGFIAHMR-LLVKDONJSA-N 316.365 -0.231 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CC2(CN(CC(N)=O)C2)n2ccnc21 1101618627 DRRHLQDKIRXGDX-ZJUUUORDSA-N 302.338 -0.900 30 20 DBED CN(CCNc1cnc(C#N)cn1)C(=O)[C@@H]1CCS(=O)(=O)C1 1101848567 AAILQZXEWULPAD-SNVBAGLBSA-N 323.378 -0.347 30 20 DBED COC(=O)NCC(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(C#N)n1 1102537639 PKAZOIFRSCKBOF-QWRGUYRKSA-N 316.321 -0.506 30 20 DBED C#CCNCC[C@@H]1CN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C[C@H]1C 1104736530 ZEAXKMJQMLVWGH-UTUOFQBUSA-N 306.366 -0.708 30 20 DBED C#CCNCc1cn(C2CN(C(=O)c3nnn(C)c3C)C2)nn1 1105199959 QDQOUELJULPRGQ-UHFFFAOYSA-N 314.353 -0.865 30 20 DBED C#CCNCc1cn(C2CN(C(=O)CN(C)C3CCC3)C2)nn1 1105262078 FGHVXVLKSDNCIW-UHFFFAOYSA-N 316.409 -0.132 30 20 DBED CN(CCN(C)c1cncc(C#N)n1)C(=O)[C@H]1CCCC(=O)N1 1105491120 JHPATYNWZNRLEY-GFCCVEGCSA-N 316.365 -0.088 30 20 DBED N#Cc1nccnc1NC[C@@H](O)CNC(=O)c1cccc(O)n1 1105776858 XECHKWSRTATANG-SECBINFHSA-N 314.305 -0.348 30 20 DBED Cc1nonc1CC(=O)NC[C@@H](O)CNc1ccc(C#N)cn1 1105947854 NDXBFMDMMBLGJP-NSHDSACASA-N 316.321 -0.224 30 20 DBED CN(C)C1(C(=O)NC[C@H](O)CNc2cnc(C#N)cn2)CCC1 1106004210 OQBKCCRQOXPLBG-GFCCVEGCSA-N 318.381 -0.278 30 20 DBED C=CCn1cc(C(=O)NC[C@H](O)CNc2cc(C)ncn2)nn1 1106131779 JZHYWAHCFRGJGX-LLVKDONJSA-N 317.353 -0.235 30 20 DBED C=CCOCC(=O)NCc1cn(C2CN(C[C@@H](C)O)C2)nn1 1107146713 OKYXSCXXSQKZEP-LLVKDONJSA-N 309.370 -0.666 30 20 DBED C#CCN1CC(n2cc(CNC(=O)C3(CN(C)C)CC3)nn2)C1 1107199599 OCTUROZIGPXTBI-UHFFFAOYSA-N 316.409 -0.274 30 20 DBED C[C@]1(CNC(=O)c2ccc[nH]2)CN(CC(=O)NCC#N)CCO1 1107734880 NMMBRGDERKISBW-HNNXBMFYSA-N 319.365 -0.525 30 20 DBED CC[C@@]1(C(=O)NC[C@@]2(C)CN(CC#N)CCO2)CCNC1=O 1108008452 QJXPLVSHGWFWFE-LSDHHAIUSA-N 308.382 -0.367 30 20 DBED C[C@@H](CNc1nccnc1C#N)NC(=O)[C@@H]1CCCS1(=O)=O 1108405696 NZLLZPWFWDSESQ-ONGXEEELSA-N 323.378 -0.158 30 20 DBED C#CCCN1CC(N2C[C@H](NC(=O)CSCC#N)CC2=O)C1 1108511274 ORVRPIUVXLJRLO-GFCCVEGCSA-N 320.418 -0.332 30 20 DBED Cc1cc(C#N)nc(N(C)C[C@H](C)NC(=O)Cn2nccn2)n1 1109103976 PRJUIVINMKXHIU-NSHDSACASA-N 314.353 -0.111 30 20 DBED CN1CCO[C@@H](C(=O)N(C)CCCNc2ccc(C#N)nn2)C1 1109418714 CTWXBGBZWYHNKG-CYBMUJFWSA-N 318.381 -0.061 30 20 DBED N#Cc1nc(=NC[C@H](NC(=O)[C@@H]2[C@H]3COC[C@H]32)C2CC2)cc[nH]1 1109960702 VNPNHAIRFPLELU-OZTPJHRESA-N 313.361 -0.031 30 20 DBED CCS(=O)(=O)CC(=O)NCC1(Nc2cnc(C#N)cn2)CC1 1110157000 APODZBPCDXJJEX-UHFFFAOYSA-N 323.378 -0.156 30 20 DBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@]12COC[C@@H]1C2 1110577716 WUUNUBGJDLXTRW-ZWEPEPIOSA-N 318.377 -0.616 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C[C@H]1CCNC1=O 1110657868 BSCHZTLNVRRXOF-TUVASFSCSA-N 319.405 -0.116 30 20 DBED C[C@@]1(NC(=O)Cn2nccn2)CCN(c2nccnc2C#N)C1 1110790319 XDKAXZQYDZLCJN-CQSZACIVSA-N 312.337 -0.275 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1COCCN1c1cncc(C#N)n1 1111663269 SETSMTDDFFMQPI-JQWIXIFHSA-N 300.322 -0.171 30 20 DBED CC(=O)NCC(=O)N1C[C@H](C)[C@@H](Nc2nccnc2C#N)C1 1112295143 FTTDQFHYAXMHAI-CABZTGNLSA-N 302.338 -0.257 30 20 DBED CC(C)(O)CC(=O)NC[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1O 1112717524 KVKHCIKVTHLULK-ZYHUDNBSSA-N 319.365 -0.577 30 20 DBED C#CCNC(=O)CC(=O)N1CCN(CCc2ccns2)CC1 1112777514 ANSHDJZAFMVVSR-UHFFFAOYSA-N 320.418 -0.031 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)[C@@H]2CCC(=O)N2)CC1 1113560609 SWYJZLUJCHSJOL-NEPJUHHUSA-N 308.382 -0.900 30 20 DBED C[C@@H](CNC(=O)C[C@H]1CCC(=O)N1)N(C)c1ccc(C#N)nn1 1113651731 IAHUDHIIIJJDKT-WDEREUQCSA-N 316.365 -0.042 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)c3ccc(O)nn3)[C@@H]2C1 1113809142 CGBOFOVIRYFDEY-NXEZZACHSA-N 317.349 -0.856 30 20 DBED Cc1cc(C#N)nc(N(C)[C@H](C)CNC(=O)[C@H]2CNC(=O)N2)n1 1113868647 AGMDLKAZHLWHIO-MWLCHTKSSA-N 317.353 -0.721 30 20 DBED C=CCOCC(=O)N[C@H]1[C@@H]2CN(CCN3CCNC3=O)C[C@@H]21 1114047863 OCEFVAWMAFDCLJ-IMRBUKKESA-N 308.382 -0.739 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)c3cc(C)ncn3)[C@@H]2C1 1114143758 TWGRDWHFOBOSFE-VXGBXAGGSA-N 315.377 -0.253 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@H]1[C@@H]2CN(CCS(C)(=O)=O)C[C@@H]21 1114194435 PQFATEHCIPCFRI-UNJBNNCHSA-N 316.423 -0.596 30 20 DBED C#CCCCC(=O)NC1[C@@H]2CN(CC(=O)NC(=O)NCC)C[C@@H]12 1114198964 LRLITJXFBGGKAL-VXGBXAGGSA-N 320.393 -0.318 30 20 DBED C=C(C)CN1C[C@H]2C(NC(=O)CCS(=O)(=O)NC)[C@@H]2C1 1114270488 GECRXONHZGOREV-GHMZBOCLSA-N 301.412 -0.452 30 20 DBED C#CCN1C[C@H]2[C@H](NC(=O)CCCn3c(O)nnc3O)[C@H]2C1 1114496943 WHKATDCKAPEPFB-IAZYJMLFSA-N 305.338 -0.851 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)CN3CCCNC3=O)[C@H]2C1 1114515742 KPWLXVZWODFBRO-NHAGDIPZSA-N 320.393 -0.902 30 20 DBED Cc1c[nH]c(C(=O)N[C@H]2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]32)n1 1114949815 RCLMUOYLMXJEAN-IAZYJMLFSA-N 302.338 -0.982 30 20 DBED CN(C)CCC(=O)NCCOCCN(C)c1ccc(C#N)nn1 1115251359 XMBGMBFHLYGTLO-UHFFFAOYSA-N 320.397 -0.131 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)Cc3ccc[nH]3)[C@@H]2C1 1115268555 YJGHXPNCEKIZRG-IACUBPJLSA-N 314.389 -0.259 30 20 DBED C=CCCOCC(=O)N[C@H]1[C@@H]2CN(CC(=O)NC3CC3)C[C@@H]21 1115324082 KVYRBQYOTBXJLK-VIKVFOODSA-N 307.394 -0.096 30 20 DBED C[C@H](CN(C)C(=O)[C@H]1CCC(=O)N1)Nc1nccnc1C#N 1115656298 FVSKEJPIGLHSST-NXEZZACHSA-N 302.338 -0.114 30 20 DBED C#CCCCNC(=O)C(=O)NCCCCCS(C)(=O)=O 1117382168 KLSKFYKSXSOSSM-UHFFFAOYSA-N 302.396 -0.153 30 20 DBED C#CCSCCNC(=O)C(=O)N[C@H]1CC(=O)N(C2CC2)C1 1117454768 BPOPWLUAOZYZSI-JTQLQIEISA-N 309.391 -0.652 30 20 DBED COCC#CCN1CCC[C@H]1[C@@H]1CCCN(C(=O)C(N)=O)C1 1120423485 VAANPYNFTPUNDF-KGLIPLIRSA-N 307.394 -0.176 30 20 DBED N#CCNC(=O)CNC1CC2(C1)CC(NC(=O)C(F)F)C2 1120482529 PWEFYOIGZURDHQ-UHFFFAOYSA-N 300.309 -0.092 30 20 DBED C=CCOCC(=O)NC1CC2(CC(NCc3nnn(C)n3)C2)C1 1120835035 UGNWNUGNYNQYMN-UHFFFAOYSA-N 320.397 -0.070 30 20 DBED C#Cc1ccc(NC(=O)C(=O)NC[C@@]2(O)CCN(C)C2)cc1 1120943943 ROOXDJVKCIHUJU-INIZCTEOSA-N 301.346 -0.211 30 20 DBED CCO[C@H](C)C(=O)NC[C@@H](CO)N=c1cc(C)[nH]cc1C#N 1121220798 IMAMMFFNXGVQTB-YPMHNXCESA-N 306.366 -0.002 30 20 DBED Cc1nccn1CC(=O)NC[C@H](CO)N=c1cc[nH]cc1C#N 1121599429 RUWWNSWXKIWHLD-CYBMUJFWSA-N 314.349 -0.531 30 20 DBED CN(C)CCCCC(=O)NC[C@@H](CO)Nc1cnc(C#N)cn1 1121848373 WWYIXEAZYRMQGX-ZDUSSCGKSA-N 320.397 -0.031 30 20 DBED COCCNC(=O)[C@@H](C#N)C(=O)[C@H](C)NC(=O)c1ccco1 1122512575 JQESOQPBHQQPMX-UWVGGRQHSA-N 307.306 -0.131 30 20 DBED Cc1cc(=N[C@@H](CO)CNC(=O)[C@H]2OCC[C@H]2C)c(C#N)c[nH]1 1122584124 CVOZLXHBMQCTQD-YVLXSGLVSA-N 318.377 -0.002 30 20 DBED C[C@@H]1CCO[C@@H]1C(=O)NC[C@@H](CO)Nc1cnc(C#N)cn1 1122584210 FWIOZUBBJASHGT-CDMKHQONSA-N 305.338 -0.338 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)c1cnn(C)c1 1123359927 UNQAHXXKPWTTRB-UHFFFAOYSA-N 305.382 -0.060 30 20 DBED CN(C[C@@H](O)CNc1nccnc1C#N)C(=O)c1ccon1 1124090838 OFWZBPOJGJLZJQ-VIFPVBQESA-N 302.294 -0.119 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)[C@@H]1CCOC1 1124141381 TUUCSNAKKHMITI-MNOVXSKESA-N 305.338 -0.962 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)c2cc(C)nn2C)C1=O 1124257270 LPXKRKTYIUTYNI-GFCCVEGCSA-N 305.382 -0.165 30 20 DBED C[C@@H](C#N)C(=O)NCCNCC(=O)NC(=O)NCc1ccco1 1124902387 JGMMIPWMLBLKHM-JTQLQIEISA-N 321.337 -0.529 30 20 DBED C#CCO[C@H](C)C(=O)NCCNCc1nnc(C2CC2)n1C 1127040173 ZZDNSIJWPKGNMT-LLVKDONJSA-N 305.382 -0.063 30 20 DBED CC(C)N1CCC[C@@H]1CC(=O)NCCNCC(=O)NCC#N 1129410944 RVVYLGCDWWLJRL-CYBMUJFWSA-N 309.414 -0.405 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)c1cnc2n1CCC2 1129775274 KZEQNDNOORNGRW-LLVKDONJSA-N 305.382 -0.161 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1ncn2ccc(C)cc12 1130599856 SKBQYVKQACPWQA-UHFFFAOYSA-N 313.361 -0.288 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)COCc1ncc(C)o1 1131168461 GHFBCOICIPVWID-GFCCVEGCSA-N 324.381 -0.104 30 20 DBED C#CCCN1C[C@H]2C[C@H]3CN(C(=O)[C@H](C)NC(C)=O)C[C@@]3(C1)O2 1131177106 DUISVFXYUDCSHO-MKVSYHDVSA-N 319.405 -0.164 30 20 DBED C=CCNC(=O)CN1C[C@H](NC(=O)CC(=O)NCC)CC[C@H]1C 1131979910 DPRCEXOJXRFFTK-CHWSQXEVSA-N 324.425 -0.216 30 20 DBED CCS(=O)(=O)NCC(=O)N[C@H]1CC[C@H](C)N(CC#N)C1 1132087553 PSKMDYARBQXNSV-QWRGUYRKSA-N 302.400 -0.582 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)c1cnns1 1133801643 ARIMINVPADOERH-VHSXEESVSA-N 309.395 -0.226 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)[C@H](CC)N(C)C 1133982681 HQCXMGVLAPALSM-NSHDSACASA-N 313.402 -0.956 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1 1134129395 IZDKYHZRGLTQDT-KWCYVHTRSA-N 317.393 -0.633 30 20 DBED C=CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)CC(=O)NCC 1134142781 GSZKJQUIGBOCLC-VXGBXAGGSA-N 312.414 -0.312 30 20 DBED C[C@@H](C[C@H](C)NC(=O)c1cc(=O)n(C)o1)NCC(=O)NCC#N 1134219567 OUWQVAALSLSQCL-UWVGGRQHSA-N 323.353 -0.895 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)NCCN[C@@H]1CCCNC1=O 1134816732 IAGRAKWATLKZLF-CHWSQXEVSA-N 310.398 -0.558 30 20 DBED COCC#CCN1CCC2(C1)CN(C(=O)[C@@H](C)CC(N)=O)C2 1148031266 BSFLKNGUQRJNLB-ZDUSSCGKSA-N 307.394 -0.318 30 20 DBED COCC#CCN1CCC2(C1)CN(C(=O)C1(C(N)=O)CC1)C2 1148181306 MUEZKXWQMQUZNF-UHFFFAOYSA-N 305.378 -0.564 30 20 DBED C=CCCN1CCCO[C@H](CNC(=O)CS(C)(=O)=O)C1 1149375808 STUMIWZRMSRMAW-GFCCVEGCSA-N 304.412 -0.186 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@H](C)NC(=O)C1CCC1 1153700342 UDKAJKCKSSKVTJ-NEPJUHHUSA-N 322.409 -0.865 30 20 DBED C=CCOCC(=O)NCCCNC[C@H](O)CO[C@@H](C)COC 1155707303 GCPIAZDQMPSYFT-KBPBESRZSA-N 318.414 -0.303 30 20 DBED C[C@H](C#N)C(=O)NCCCN[C@H]1CCN(c2ccn(C)n2)C1=O 1155847559 ABEWDTPOGHXOII-NEPJUHHUSA-N 318.381 -0.219 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)[C@H](C)n1cncn1 1156805379 FTOAFZFWQAUTMT-NEPJUHHUSA-N 306.370 -0.927 30 20 DBED C#CCCN(C)C[C@H]1CCCCN1C(=O)CN1CCNC(=O)C1 1158310642 DKFZVDBCSPWABO-OAHLLOKOSA-N 320.437 -0.246 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@@H]1CCn2ccnc2C1 1161314651 GLCYTTUMUYSQML-CYBMUJFWSA-N 319.409 -0.156 30 20 DBED C#CCNC(=O)[C@@H](C)NCC1(CCNC(=O)CNC(C)=O)CC1 1163190495 FQHWISKVHQBEKD-GFCCVEGCSA-N 322.409 -0.864 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)Cc2cnc[nH]2)C1=O 1167346307 MAOHBRKIPOYIDJ-ZDUSSCGKSA-N 305.382 -0.165 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)c2cccnn2)C1=O 1168989780 WYIARUJRCSZNSG-CYBMUJFWSA-N 303.366 -0.027 30 20 DBED CCN(CC)CC(=O)N1CC[C@H](NCC(=O)NCC#N)[C@@H]1C 1179763354 IWKIUDXOZFIKRH-STQMWFEESA-N 309.414 -0.453 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2cc(C)ncn2)C1 1182042131 IGVCPZIVIYYQRV-QWHCGFSZSA-N 315.377 -0.273 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)Cc2cncnc2)C1 1182204078 LGONMTYSEGVOBA-GXTWGEPZSA-N 317.393 -0.100 30 20 DBED C#CCNC[C@H]1CN(C(=O)Cn2cncn2)CC12CCOCC2 1186553236 OCWZGCHDUZUGAX-AWEZNQCLSA-N 317.393 -0.244 30 20 DBED C=CCNC(=O)[C@@H](C)N(C)[C@H]1CCN(C(=O)CN(C)C(C)=O)C1 1188973813 JDAWSLMHBGGVEE-OCCSQVGLSA-N 324.425 -0.312 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)[C@@]23COC[C@@H]2C3)C1 1190261136 ZKFIDLBNLWUTHC-XEZPLFJOSA-N 305.378 -0.695 30 20 DBED COCC#CCN(C)[C@@H]1CCN(C(=O)CCc2cnn(C)n2)C1 1192378740 XSWNNVPFLKEQCZ-OAHLLOKOSA-N 319.409 -0.070 30 20 DBED C[C@@H]1CCO[C@@H]1C(=O)N1CC[C@H](N(C)CC(=O)NCC#N)C1 1192424796 BFMSNRVAAKJCFE-DYEKYZERSA-N 308.382 -0.416 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)c2ccns2)C1 1193385021 ZJAWFYMBSDARMC-HBNTYKKESA-N 324.406 -0.391 30 20 DBED C=CCCCN1C[C@@H](O)[C@H](NC(=O)CCc2cnn(C)n2)C1 1196215042 RSFNPSFXLUPEBY-ZIAGYGMSSA-N 307.398 -0.125 30 20 DBED C=CCCOCC(=O)N1CCCN(CC(=O)NCC#N)CC1 1198315963 PABNIQQGTKKXSY-UHFFFAOYSA-N 308.382 -0.247 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)CCNC(=O)[C@H]2CCCO2)C1 1199466003 FIYBUMPHMSPPCM-JHJVBQTASA-N 311.382 -0.981 30 20 DBED CC#CCNC[C@H]1CN(C(=O)CN2CCOCC2)CCCO1 1200290982 KZKSOLJSLAXWCW-HNNXBMFYSA-N 309.410 -0.451 30 20 DBED C#CCCNC[C@H]1CN(C(=O)[C@@H]2COCCN2C)CCCO1 1200312035 RFVCEQCQOJGOIU-GJZGRUSLSA-N 309.410 -0.453 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC(NCc2ncnn2C)CC1 1200532446 QXDLSPYXFVUCNI-LBPRGKRZSA-N 305.382 -0.066 30 20 DBED N#CCNC[C@H]1CN(C(=O)[C@H]2CCCN(C(N)=O)C2)CCCO1 1200911668 NYWQQCCKQQBOPP-STQMWFEESA-N 323.397 -0.492 30 20 DBED C#CCNC[C@@H]1CN(C(=O)c2cn(CC=C)nn2)CCCO1 1201584824 HNYUQZBNYXDWJT-CYBMUJFWSA-N 303.366 -0.082 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1C[C@@H](NCCOC)C12CCC2 1202785519 QGPNXRGXQDLJIV-OLZOCXBDSA-N 307.394 -0.211 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2n[nH]c(C)c2O)[C@H](C)C1 1206874451 SPLDGCKMVYLSPF-MWLCHTKSSA-N 319.365 -0.777 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)Cc2cnc(C)o2)[C@H](C)C1 1207531930 WFKIOMZKFKVYNC-BXUZGUMPSA-N 318.377 -0.289 30 20 DBED Cc1cn(C)nc1C(=O)N1CCC[C@@H](NCC(=O)NCC#N)C1 1208008351 HMYNMWPUPQIZRG-GFCCVEGCSA-N 318.381 -0.438 30 20 DBED CCc1ncoc1C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1208544677 QUYKRKDAOKPDGK-ZYHUDNBSSA-N 319.365 -0.073 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1NC(=O)CCNC(=O)c1cnccn1 1211164543 VEXNMHCEGHAXCK-DGCLKSJQSA-N 316.365 -0.443 30 20 DBED CO[C@@H]1CN(CC(=O)Nc2ccon2)C[C@H]1NC(=O)[C@H](C)C#N 1212045551 QWJUKRYGZJJAHP-GMTAPVOTSA-N 321.337 -0.412 30 20 DBED C#CCN1C[C@@H](NC(=O)C(=O)NCC(F)(F)F)[C@H](OC)C1 1213642359 GOCCDXIJMYRYQP-RKDXNWHRSA-N 307.272 -0.887 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2cn(C)nn2)C[C@H]1OC 1213961723 OMHGXSKXHWYELN-MRVWCRGKSA-N 323.397 -0.278 30 20 DBED C=CCC[C@@H](C)N1C[C@H]2[C@@H](C1)OCCN2C(=O)Cn1cnnn1 1217249368 VYSITNABGMHWNO-HZSPNIEDSA-N 320.397 -0.061 30 20 DBED C=CCOCC(=O)N1CCO[C@@H]2CN(CC(=O)NCC)C[C@@H]21 1217532166 FSNQWALPIUJURX-QWHCGFSZSA-N 311.382 -0.763 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C/C=C(\C)C=C)C1 1220168955 BVZRSBLZWIWKGZ-BDPFXEMMSA-N 307.394 -0.028 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C/C=C(/C)C=C)C1 1220172161 LJRYCZQQKWJNDW-QQKWEAIHSA-N 305.378 -0.581 30 20 DBED N#CCNC(=O)CN1CC[C@@H]2CN(C(=O)C#CC3CC3)[C@@H]2C1 1221532182 TUCHWYBLXFHOLF-ZIAGYGMSSA-N 300.362 -0.428 30 20 DBED C=CCN1CCC(CNC(=O)CS(=O)(=O)N(C)C)CC1 1225298759 RJODRPMHVMRZGJ-UHFFFAOYSA-N 303.428 -0.108 30 20 DBED CN(C[C@@H]1CCN1CC(=O)NCC#N)C(=O)Cc1ccon1 1231389008 ULUXULGXVAFRKZ-LBPRGKRZSA-N 305.338 -0.610 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C[C@H]1CCN1CC(=O)NC(=O)NC 1234264417 AOAXEHHVKFAIDU-NWDGAFQWSA-N 324.381 -0.987 30 20 DBED CN(CCCNC(=O)Cc1cnn(C)c1)CC(=O)NCC#N 1235418060 MZUIAGSQYOKSHJ-UHFFFAOYSA-N 306.370 -0.960 30 20 DBED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc([S@](C)=O)cc1 1320230813 QURAQKFYZWDBPT-QFIPXVFZSA-N 323.374 -0.219 30 20 DBED CN1C[C@@H](NC(=O)C(=O)Nc2ccc(OCC#N)cc2)CC1=O 1322339149 NWGWGYOGROSNST-NSHDSACASA-N 316.317 -0.126 30 20 DBED CN(C)[C@@H](CNC(=O)C(=O)N1CCO[C@H](C#N)C1)c1ccco1 1322874262 ZIWUJZOZNXHTKS-NEPJUHHUSA-N 320.349 -0.251 30 20 DBED CCCNC(=O)CCNC(=O)CCN/C(O)=C1/N=CC=CC1=O 1323189664 LUFDHNUYWFDNLW-PFONDFGASA-N 322.365 -0.065 30 20 DBED CN(CCc1ccncc1)C(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1326213482 FKFNOLOSTQHDHK-INIZCTEOSA-N 316.361 -0.040 30 20 DBED C=C(CO)C(=O)N1CCC(C(=O)OCC)(S(C)(=O)=O)CC1 1326454585 KDUBJRCUVNHKBJ-UHFFFAOYSA-N 319.379 -0.496 30 20 DBED COCC#CC(=O)N1CCCN(CC(=O)N2CCCC2)CC1 1327988649 VHODVNPNRUPGAB-UHFFFAOYSA-N 307.394 -0.207 30 20 DBED C=CC[C@@H](NC(=O)CNS(=O)(=O)N(C)C)C(=O)OCC 1328271144 FUHMNHMKXZYTOV-SECBINFHSA-N 307.372 -0.994 30 20 DBED C=C(C)CN(C)C(=O)C(=O)NCC1(CS(C)(=O)=O)CC1 1334618743 HAQCIPUOALHFEI-UHFFFAOYSA-N 302.396 -0.038 30 20 DBED CCN1CCN([C@H](C)CNC[C@H](O)CN(C)CCC#N)CC1 1336732921 IGYMPUPCLUQONQ-CVEARBPZSA-N 311.474 -0.192 30 20 DBED CO[C@@]1(CNC(=O)C(=O)NC2CCN(CC#N)CC2)CCOC1 1341933157 FNEFGNIMGUVBSV-OAHLLOKOSA-N 324.381 -0.988 30 20 DBED CN1CCN(C)[C@H](CNC(=O)C(=O)N2CCC(CC#N)CC2)C1 1342095783 HHOOPOZRZDQOEF-CQSZACIVSA-N 321.425 -0.499 30 20 DBED C=CCNC(=O)[C@H](C#N)C(=O)C1CCC2(CC1)NC(=O)NC2=O 1342567547 VLKXGZIAMSGCEA-KGXJWFGYSA-N 318.333 -0.234 30 20 DBED N#CCC1CCN(C(=O)C(=O)NCc2nnc3n2CCC3)CC1 1344905353 QOSVHEKNRVQZAZ-UHFFFAOYSA-N 316.365 -0.007 30 20 DBED CCN(C(=O)C(=O)N1CCC[C@H](CC#N)C1)[C@H]1CCNC1=O 1346980956 OGUMYZYEZXNWFP-NEPJUHHUSA-N 306.366 -0.124 30 20 DBED C#CCOCCN(C)C(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 1353520345 CZOGXRGZINABCW-HBJVGIJOSA-N 320.345 -0.743 30 20 DBED CC1(C)CC[C@@H](CO)N(C(=O)Cn2cc(C#N)c(O)nc2=O)C1 1362976268 ZGPBJDISBVEMEZ-NSHDSACASA-N 320.349 -0.170 30 20 DBED CCCN(CCNC(=O)Cn1ncn(C)c1=O)C(=O)[C@H](C)C#N 1374142524 XMEXCDVJQZRVOJ-LLVKDONJSA-N 322.369 -0.904 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)[C@@H]2CCS(=O)(=O)C2)CC1 1389901856 OPPMVQKTASPODK-VHSXEESVSA-N 313.379 -0.654 30 20 DBED C=C(Cl)CN1CC[C@@H]1CNC(=O)CCn1ncn(C)c1=O 1392847315 MWOJYPIPOUNYMN-LLVKDONJSA-N 313.789 -0.085 30 20 DBED CC(C)S(=O)(=O)CC(=O)NC[C@@H]1CCN1C(=O)[C@H](C)C#N 1393330170 TVCNTPKZKBZDMW-MNOVXSKESA-N 315.395 -0.314 30 20 DBED C[C@H](C#N)C(=O)N(CCNC(=O)C[C@H]1CCC(=O)N1)C1CC1 1398325084 IZEQOSCFAFDTQJ-GHMZBOCLSA-N 306.366 -0.078 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@@H](C)CNC(=O)c1nc2ncccn2n1 1404475242 ZZGBWVQQWDMQGN-UWVGGRQHSA-N 315.337 -0.139 30 20 DBED CCCN(CC(=O)OC)C(=O)CCn1cc(C#N)c(O)nc1=O 1412839982 FEZLCCRHSNKRLH-UHFFFAOYSA-N 322.321 -0.378 30 20 DBED C[C@H](C(=O)N[C@@H](CO)CN1CCCCC1)n1cnc(C#N)n1 1412933281 SHWGPFMFZDRWDH-VXGBXAGGSA-N 306.370 -0.326 30 20 DBED N#Cc1cn(CCNC(=O)CC[C@H]2CCCO2)c(=O)nc1O 1413311964 RRSXIXHOCRQWEZ-LLVKDONJSA-N 306.322 -0.104 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CC[C@H](NC(=O)CCNC(N)=O)CC1 1416395176 YTEVPQDLAXWVPB-DCAQKATOSA-N 309.370 -0.252 30 20 DBED Cc1ccc(C(=O)N2C[C@@H](C(N)=O)[C@@H](C(N)=O)C2)cc1C#N 1418597361 ZSGIKLMCNGEYGC-TXEJJXNPSA-N 300.318 -0.475 30 20 DBED COc1ncc(NC(=O)CN2CCCS2(=O)=O)cc1C#N 1419381900 NQMVUIPJFIHJQL-UHFFFAOYSA-N 310.335 -0.064 30 20 DBED Cn1ccnc1CNC(=O)NCCn1cc(C#N)c(O)nc1=O 1426860768 PDMUEGJIDGLAKZ-UHFFFAOYSA-N 317.309 -0.947 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)CN(C)CC(C)(C)C 1431566757 GYFYQQMPFZFROR-VXGBXAGGSA-N 312.414 -0.283 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](C)NC(=O)c1cccn2nnnc12 1433428635 OMZNCMTVXVAABD-DTWKUNHWSA-N 301.310 -0.482 30 20 DBED CC[C@H](CNC(=O)Cc1nc[nH]n1)NC(=O)c1c[nH]c(C#N)c1 1451146309 WPXFIQRFDCLKQC-SNVBAGLBSA-N 315.337 -0.128 30 20 DBED N#Cc1cn(CC(=O)N2CCO[C@@H]3CCC[C@@H]32)c(=O)nc1O 1453648298 NTECDHXORFGELZ-WDEREUQCSA-N 304.306 -0.400 30 20 DBED CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)Nc1ccc(C#N)cn1 1467096772 BJTAOMWPTKNVBP-NXEZZACHSA-N 310.335 -0.113 30 20 DBED COCC#CCN[C@@H](C)CCNC(=O)c1ccc(C(N)=O)nc1 1480812530 JQPKOGWVYHBIRT-LBPRGKRZSA-N 318.377 -0.072 30 20 DBED Cn1nccc1[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCN(O)C1=O 1553140439 AMJZVLAZRXSYHN-JFGNBEQYSA-N 308.338 -0.006 30 20 DBED C=CCN1CC[C@H](N[C@@H](C)CCNC(=O)c2ncn(C)n2)C1=O 1570458708 MSJFEVWMZCZPJS-RYUDHWBXSA-N 320.397 -0.300 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@H]2CNC(=O)CNC(=O)O)cn1 1573311819 HMIDBLVFZHYVHY-LBPRGKRZSA-N 316.317 -0.339 30 20 DBED C=CCOCC(=O)NCC1[C@@H]2CN(C(=O)CNC(=O)O)C[C@@H]12 1573368847 KLYFVEXQXJZEGN-QWRGUYRKSA-N 311.338 -0.723 30 20 DBED C#CCCN1CCN(C(=O)c2cn([C@H]3CCCNC3)nn2)CC1 1574583677 LBZMQTJBCMEBGK-AWEZNQCLSA-N 316.409 -0.016 30 20 DBED Cn1nccc1[C@@H]1CN(C(=O)N[C@H]2CNC[C@@H]2C#N)CCO1 1580011734 YPIJVPSSBYBSPT-GVXVVHGQSA-N 304.354 -0.385 30 20 DBED Cn1cnc(/C=C\C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[nH]2)c1 1581807948 CDUGOEBIBJRPSS-IHWYPQMZSA-N 310.281 -0.153 30 20 DBED N#Cc1nc(NC2CCS(=O)(=O)CC2)cnc1-c1nn[nH]n1 1581880496 LYIIBCWLYNPPOF-UHFFFAOYSA-N 320.338 -0.483 30 20 DBED N#Cc1ncn(CC(=O)N2Cc3ccc(-c4nn[nH]n4)cc3C2)n1 1581885546 DPANLFGPJXDXDC-UHFFFAOYSA-N 321.304 -0.128 30 20 DBED CC(=O)N[C@@H]1CCCN(C(=O)CN(CC#N)CCC(=O)O)C1 1589119608 FUKFDWVTDGHUMH-GFCCVEGCSA-N 310.354 -0.586 30 20 DBED O=C(C#CC1CC1)NCCCNc1cnc(-c2nn[nH]n2)cn1 1592768668 OIVUJTHPJFKAMA-UHFFFAOYSA-N 312.337 -0.012 30 20 DBED Cn1ncc2cc(S(=O)(=O)N(CC#N)CC(=O)O)cnc21 1601033001 UPPYPHFKNGRTIV-UHFFFAOYSA-N 309.307 -0.433 30 20 DBED N#CCN(CCC(=O)O)C(=O)c1ccsc1S(N)(=O)=O 1601071755 GMTYCSRXXZUQRC-UHFFFAOYSA-N 317.348 -0.164 30 20 DBED C[C@](C#N)(CC(=O)O)C(=O)NC1CCN([C@@H]2CCOC2=O)CC1 1602780597 JLHLTTAZYLOXSM-IAQYHMDHSA-N 323.349 -0.113 30 20 DBED C[C@@H](C#N)CN(C)C(=O)NCCn1cnc(-c2nn[nH]n2)n1 1602982987 CZPVDZYFYDZKTL-QMMMGPOBSA-N 304.318 -0.741 30 20 DBED C[C@]1(C(=O)O)CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)C1 1603301674 GQSIPFTZCUMNOE-ZDUSSCGKSA-N 306.278 -0.856 30 20 DBED N#C[C@]12CN(c3ccc(C(=O)O)nn3)C[C@H]1CS(=O)(=O)C2 1608192017 SKIZQCSPQLSWDR-QPUJVOFHSA-N 308.319 -0.451 30 20 DBED C=CCNC(=O)CN1CCC[C@H](NC(=O)CNC(=O)CC)C1 1714922742 SYLOGHZVAZOTAN-LBPRGKRZSA-N 310.398 -0.605 30 20 DBED C#CCNC(=O)CN(C)CCCNC(=O)CN1CCC(C)CC1 1752084415 JNKRCINOFCPJOV-UHFFFAOYSA-N 322.453 -0.094 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@H]1C[C@H](NC(=O)c2ccn(C)n2)C1 1752682713 UCLORZSWSVFYIR-IJLUTSLNSA-N 305.382 -0.039 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H](C)NCc1cnnn1C 1752877993 FQGKXHFUIWZXHX-JSGCOSHPSA-N 304.398 -0.493 30 20 DBED CC#CCNC[C@@H]1CCN(C(=O)[C@H](CCC)S(N)(=O)=O)C1 1752946453 WSBVDBCJHAZWHI-STQMWFEESA-N 315.439 -0.095 30 20 DBED CCN(CC#CCOC)CCNC(=O)c1cccn2nnnc12 1753082473 IXPAJLFSIZIWJL-UHFFFAOYSA-N 316.365 -0.174 30 20 DBED C#CCN1CCC[C@@H]1CNC(=O)[C@@H](CCC)S(N)(=O)=O 1753108845 RFDBXSRGWAUVDU-VXGBXAGGSA-N 301.412 -0.343 30 20 DBED COCC#CCN1[C@H]2CC[C@H]1CN(C(=O)C[C@H]1CCC(=O)N1)C2 1753308845 HCPVIDVCUYONMN-ILXRZTDVSA-N 319.405 -0.020 30 20 DBED C=C(C)CNC[C@@H](O)CNC(=O)c1cnc2c(c1)NC(=O)CO2 1753918825 PZFBJNPRRCHHJB-LLVKDONJSA-N 320.349 -0.331 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H](CNCc1nnn(C)n1)C1CC1 1754438812 GQGTXRZPODTKMA-ZYHUDNBSSA-N 306.370 -0.767 30 20 DBED CN(C(=O)[C@@H]1CCCOCC1)C1CN(CC(=O)NCC#N)C1 1754574659 ZXIMUJKVZZZEQV-GFCCVEGCSA-N 308.382 -0.415 30 20 DBED C#CCN(C(=O)c1ncc[nH]1)C1CCN([C@@H]2CCNC2=O)CC1 1754635371 FKWABPWDGSIKAY-CYBMUJFWSA-N 315.377 -0.162 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@@](C)(NC(=O)Cc2cc[nH]n2)C1 1754671616 OMKRCYIVDVCKHD-BLLLJJGKSA-N 317.393 -0.329 30 20 DBED C[C@H]1CCCN(C(=O)C(=O)NC[C@@]2(O)CCN(CC#N)C2)C1 1754758298 CTVZMISRICEZLD-WFASDCNBSA-N 308.382 -0.679 30 20 DBED CC(C)OCC(=O)N1CC[C@@H](CCNCC(=O)NCC#N)C1 1754905610 LFFMMDZVRKBHNX-CYBMUJFWSA-N 310.398 -0.121 30 20 DBED C=CCOCC(=O)NC1(CO)CCN([C@H]2CCNC2=O)CC1 1755179778 QQLHDQCDXSWRCR-LBPRGKRZSA-N 311.382 -0.979 30 20 DBED Cn1nnc(C(=O)NC[C@H](CO)NCC#N)c1C(F)(F)F 1755640722 PJLCEKWTNPRRHT-ZCFIWIBFSA-N 306.248 -0.962 30 20 DBED CC#CCNC[C@H](O)CN(C)C(=O)[C@]1(C)CCN(C(C)=O)C1 1755791450 LBCJBSJMDCUBLA-GOEBONIOSA-N 309.410 -0.323 30 20 DBED CN(C)CCn1ccc(C(=O)N(C)C[C@@H](O)CN(C)CC#N)n1 1755801018 SBZGSTPEVGGDIL-ZDUSSCGKSA-N 322.413 -0.667 30 20 DBED C[C@H](NC(=O)c1ncc[nH]1)C1CCN(CC(=O)NCC#N)CC1 1755846488 BOQUQIVLECICKV-NSHDSACASA-N 318.381 -0.120 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H](C)N(C)C(=O)CC(N)=O)nc1 1756050895 ASRIKBUWUQAJBH-SNVBAGLBSA-N 302.334 -0.485 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H](C)CN(C)C(=O)c1cnn(C)n1 1756471702 BDYMQKNRVAASAP-GHMZBOCLSA-N 307.354 -0.570 30 20 DBED CC#CCCCC(=O)N[C@H](CO)CNC(=O)c1ccnnc1 1756552215 NWVIKMYMSPLIOH-ZDUSSCGKSA-N 304.350 -0.123 30 20 DBED C=CCOCC(=O)N1CCC[C@H](NC(=O)Cn2cnnn2)[C@@H]1C 1756616489 DNDXHHZNPFGTPN-RYUDHWBXSA-N 322.369 -0.629 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](NC(=O)COCC)[C@H]1CC 1757431582 JRHQZYRSUFKOGS-QWHCGFSZSA-N 323.393 -0.342 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cn(C)cn1)CCO2 1783049535 DFFBFVXPZGWJCI-OAHLLOKOSA-N 302.334 -0.503 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)n1cncn1)CCO2 1783053516 IDPFHFGMLHLAQY-DOMZBBRYSA-N 317.349 -0.698 30 20 DBED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN(C)C(C)C)C[C@@H]21 1790794830 SGMFGLMVBBCMPQ-KKUMJFAQSA-N 321.421 -0.061 30 20 DBED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3=COCC3)[C@H]2C1 1791786885 LNCGPGRQJIWUMY-UBHSHLNASA-N 304.346 -0.097 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cnccn1)C2 1800450393 FXCXHPAVWLEBEH-DRXBFXEBSA-N 314.345 -0.758 30 20 DBED O=C(C#CC1CC1)N1CC2(CCCN2C(=O)Cn2ccnn2)C1 1843101077 JZLUXMIGHWDAJF-UHFFFAOYSA-N 313.361 -0.105 30 20 DBED C=CCNC(=O)CNS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 180258225 JQMLITJERBVCNH-UHFFFAOYSA-N 310.335 -0.563 30 20 DBED Cc1cc(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)O)ccc1C#N 235782396 ZLBMFVUSMSXFNP-JTQLQIEISA-N 311.319 -0.526 30 20 DBED C#CCN(CC)C(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 264140301 GEDSHDWDZRPJPR-CQSZACIVSA-N 307.394 -0.351 30 20 DBED C#CCOc1cccc(NC(=O)C(=O)N2CC[C@H](C(N)=O)C2)c1 264776614 SPOREJXPPGFSNQ-NSHDSACASA-N 315.329 -0.029 30 20 DBED N#Cc1ccc(CS(=O)(=O)NCCN2CCNC(=O)C2)cc1 289087749 GNOJCVSWCFCVBH-UHFFFAOYSA-N 322.390 -0.591 30 20 DBED Cn1nncc1/C(O)=N/C[C@@H]1CCC[C@@H]1NS(C)(=O)=O 328636599 CMJBKQYVGWZLSM-IUCAKERBSA-N 301.372 -0.162 30 20 DBED N#Cc1ccc(NCC(=O)N2CCO[C@H](C(=O)C3CC3)C2)nc1 328672931 IOMIDQQSCBBJSC-ZDUSSCGKSA-N 314.345 0.572 30 20 DBED Cn1c(NC[C@H]2CC(=O)N(C3CC3)C2)c(C#N)c(=O)n(C)c1=O 329560591 RGASNWOWJFUHHA-SECBINFHSA-N 317.349 -0.622 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCO[C@H](CN(C)C)C1 330393064 QDKFLIZRUGXYNE-CHWSQXEVSA-N 318.443 -0.025 30 20 DBED CC/N=C(/O)NC(=O)CN1CCN(Cc2nc(C)no2)CC1 330405303 NDRAYLNUIDLUCY-UHFFFAOYSA-N 310.358 -0.454 30 20 DBED COC(=O)[C@H]1CN(C(=O)Nc2ccn(CCC#N)n2)CCO1 331240434 JGMHLUPDVHYYFK-SNVBAGLBSA-N 307.310 0.202 30 20 DBED COC(=O)[C@@H]1CNC(=O)CN1C(=O)CNc1ccc(C#N)cc1 344907189 QBUWPUUWXRWRTC-LBPRGKRZSA-N 316.317 -0.530 30 20 DBED C[C@H](C#N)N(C)S(=O)(=O)c1ccccc1S(N)(=O)=O 349447811 JKOQSMBCYZGMFP-MRVPVSSYSA-N 303.365 -0.133 30 20 DBED COCCn1cc(S(=O)(=O)N2CCOC[C@@H]2C#N)cn1 351698664 CAFMZVAJNDNRQR-JTQLQIEISA-N 300.340 -0.557 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)CCc2ccnn2C)CC1 355232136 ZNSSRVVYJQFNOT-UHFFFAOYSA-N 319.409 -0.201 30 20 DBED CCO[C@H]1C[C@](O)(CNC(=O)NCC(=O)NCC#N)C1(C)C 358312539 MIFPSJPGIIUTLB-HZMBPMFUSA-N 312.370 -0.509 30 20 DBED CN(CCC#N)C(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 363213999 NTQATZQPNIRTNR-QWRGUYRKSA-N 313.379 -0.606 30 20 DBED Cc1cccc(S(=O)(=O)N2CCN(C(=O)CO)CC2)c1C#N 408212396 WJJPACONUWNUSR-UHFFFAOYSA-N 323.374 -0.308 30 20 DBED COc1ccnc(N2CCN(S(=O)(=O)[C@H](C)C#N)CC2)n1 416373046 PZARUFBVIGMCMZ-SNVBAGLBSA-N 311.367 -0.151 30 20 DBED C#CCNC(=O)CCN1CCN(C(=O)CN2CCCC2)CC1 491117948 AUQGLPXFSFKELT-UHFFFAOYSA-N 306.410 -0.634 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)CCn2ccnc2)CC1 491167372 XSYTXZWDEKCWAF-UHFFFAOYSA-N 303.366 -0.833 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)CCc2cnc[nH]2)CC1 491381459 FHZDBIWPWLRLLP-UHFFFAOYSA-N 317.393 -0.374 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C)[C@@H]2CCCOC2)C1=O 543732330 LFVAUZMBJNCDDD-WDEREUQCSA-N 323.349 -0.106 30 20 DBED COc1ccc(CC(=O)NCC(=O)NCC#N)cc1[N+](=O)[O-] 561470012 BDJWCVGOCGWCJY-UHFFFAOYSA-N 306.278 -0.098 30 20 DBED N#Cc1cc(F)ccc1CS(=O)(=O)N(CCO)CC(=O)O 565058310 VDAOAIQCVMQHPX-UHFFFAOYSA-N 316.310 -0.094 30 20 DBED N#Cc1ccc(N2CCN(C(=O)C(=O)NC3CC3)CC2)nc1N 565667745 VWWNJIUWBCJKQP-UHFFFAOYSA-N 314.349 -0.537 30 20 DBED C=CCOC[C@H]1NC(=O)N([C@H]2CCN(S(C)(=O)=O)C2)C1=O 567999535 SPHHXYZWGOKDBM-VHSXEESVSA-N 317.367 -0.857 30 20 DBED O=C(NCC#CCO)c1nc2ncc(Br)cn2n1 579450163 MRFJECWJCZBMCM-UHFFFAOYSA-N 310.111 -0.388 30 20 DBED CC1(C)CN(S(=O)(=O)N2CC[C@@](O)(CC#N)C2)CCO1 592078211 NVKZGBZUXJHLEA-LBPRGKRZSA-N 303.384 -0.308 30 20 DBED N#CCc1ccc(OC[C@@H](O)CN[C@]2(C(N)=O)CCOC2)cc1 594035406 LOGCFHDKRHEDAB-XJKSGUPXSA-N 319.361 -0.274 30 20 DBED CCOC(=O)C[C@@H](O)Cn1cc(C(=O)OC)cc(C#N)c1=O 600515978 KZKDSQOOQXWJQD-LLVKDONJSA-N 308.290 -0.179 30 20 DBED CN1CCN(C(=O)CCNC(=O)Nc2nn(C)cc2C#N)CC1 610562323 ORPFHBBGBAAVOT-UHFFFAOYSA-N 319.369 -0.423 30 20 DBED CC(=O)NCC(=O)NCC(=O)N[C@H]1CCc2cc(C#N)ccc21 618892833 QTDVPRFUXAFJQY-AWEZNQCLSA-N 314.345 -0.086 30 20 DBED C=CCNC(=O)CNC(=O)NC1CCN([C@H]2CCOC2)CC1 660996824 OCZZGSDWNUMMNE-ZDUSSCGKSA-N 310.398 -0.159 30 20 DBED CC#CCCCC(=O)NCCN1CCN(S(C)(=O)=O)CC1 680997188 XXNITZSJVJOTOM-UHFFFAOYSA-N 315.439 -0.127 30 20 DBED C#CCNC(=O)CN1CCN(c2ccc(C(N)=O)cc2)CC1 735494239 AJUBSBNFDQPYDA-UHFFFAOYSA-N 300.362 -0.343 30 20 DBED C#C[C@@H](NCC(=O)NCCCN1CCCC1=O)[C@H]1CCCO1 775793549 MFFGEOVTULOZQB-ZIAGYGMSSA-N 307.394 -0.115 30 20 DBED Cn1c(=O)c2c(ncn2CCC(=O)OC(C)(C)C#N)n(C)c1=O 779229083 XEHCTWWCDQNONU-UHFFFAOYSA-N 319.321 -0.331 30 20 DBED CN1CCC(CNC(=S)NCCn2cnc(C#N)n2)CC1 795139176 QNOOHCHWTQHBHX-UHFFFAOYSA-N 307.427 -0.044 30 20 DBED NS(=O)(=O)c1cc(C(=O)N[C@@H]2CCCN(O)C2=O)cs1 820476103 HQHYJFIZBVOZDL-SSDOTTSWSA-N 319.364 -0.495 30 20 DBED O=C(N[C@@H]1CCCN(O)C1=O)c1ccnc(-n2cncn2)c1 820482903 TZZWIKPRKTYOHG-SNVBAGLBSA-N 302.294 -0.228 30 20 DBED C#C[C@@H](NC(=O)C(=O)N1CC[C@@H](C)C[C@H]1CN)[C@@H]1CCCO1 851686045 YSCLIXDRDOZCSJ-RQJABVFESA-N 307.394 -0.131 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCNC[C@H]1C(C)C)[C@@H]1CCCO1 861753408 YAICSGHXZVOHFB-IHRRRGAJSA-N 307.394 -0.260 30 20 DBED C#CCNS(=O)(=O)N1CCN(c2ncc(C#N)cc2F)CC1 872631695 CFERNLMBGUKDJK-UHFFFAOYSA-N 323.353 -0.318 30 20 DBED C=CCN1CC[C@@H](N(C)CC(=O)N=[S@](C)(=O)N(C)C)C1=O 878549161 BSGPDEAFYGKEAY-FIKIJFGZSA-N 316.427 -0.194 30 20 DBED C#CC1(O)CN(C[C@H](O)COc2ccc(C(=O)OC)cc2)C1 934442902 GAGRYUCTPGGASN-ZDUSSCGKSA-N 305.330 -0.107 30 20 DBED C[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 948037263 SNTYQNWRXCIDPQ-LDYMZIIASA-N 303.322 -0.662 30 20 DBED CCN1CCOC[C@@H]1C(=O)NC1CCN(C(=O)[C@@H](C)C#N)CC1 948102578 PDAOLQJVKORONR-GXTWGEPZSA-N 322.409 -0.026 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CNC(=O)[C@@H]2CN(C)CCO2)CC1 949391250 UYJIMHZIGHELDW-JSGCOSHPSA-N 322.409 -0.169 30 20 DBED C#CCOc1ncccc1C(=O)N1CCN(CC(N)=O)CC1 957375313 MTTRNANQORYBTF-UHFFFAOYSA-N 302.334 -0.663 30 20 DBED C=C(Cl)CN1C[C@H](CNC(=O)C2CN(C(C)=O)C2)[C@@H](O)C1 958014362 FLYQTJYMRNXQND-AAEUAGOBSA-N 315.801 -0.374 30 20 DBED CC#CCN1C[C@H](CNC(=O)c2cn(C)c(C)cc2=O)[C@@H](O)C1 958151618 KLNVMWJEVONQIZ-BBRMVZONSA-N 317.389 -0.260 30 20 DBED N#CCN1C[C@H](CNC(=O)c2cc(O)nc(C3CC3)n2)[C@@H](O)C1 958157626 OHWBBYRTZIHQLB-JQWIXIFHSA-N 317.349 -0.394 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2c3c(nn2C)CCC3)C1 958587278 HUDJINAMXLKASV-RISCZKNCSA-N 302.378 -0.436 30 20 DBED Cc1c(C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2O)cnn1C 961584543 SKDGDVBWADBLPE-KGLIPLIRSA-N 316.361 -0.557 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CN(C(=O)c3cc[nH]n3)C[C@@H]2O)c[nH]1 962388113 OQGARMWDZNLPDM-NEPJUHHUSA-N 314.305 -0.775 30 20 DBED Cc1cc(C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2O)cnn1 962501794 VMEFPDKIDSFVRC-KGLIPLIRSA-N 314.345 -0.500 30 20 DBED Cc1c[nH]nc1C(=O)NC[C@H]1COCCN1C(=O)[C@@H](C)C#N 964198455 YFCJTZYVJZVJMS-ONGXEEELSA-N 305.338 -0.165 30 20 DBED CN(C(=O)[C@@H]1CCS(=O)(=O)N1)C1CCC(NCC#N)CC1 964406778 QIMPAJCHKDSILA-MCIGGMRASA-N 314.411 -0.439 30 20 DBED CCc1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)nn1C 968496337 KFZWHESEILRFKK-BIMULSAOSA-N 319.365 -0.556 30 20 DBED C[C@H](NC(=O)c1ccc(-n2cnnn2)cn1)C1CN(CC#N)C1 970209087 ANJGGWCNPLOVFS-JTQLQIEISA-N 312.337 -0.369 30 20 DBED CN(CC#N)[C@@H]1CCN(C(=O)[C@H]2CCc3nnc(O)n3C2)C1 971816999 CVBJUZZYZSUYPQ-WDEREUQCSA-N 304.354 -0.398 30 20 DBED Cc1nc(O)[nH]c1C(=O)N1CC[C@@]2(CN(CC#N)CCO2)C1 972420340 SNMJVDWSXQFHCF-CQSZACIVSA-N 305.338 -0.136 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)Cn3nccn3)C2)[nH]1 974045213 IXXRJMZKYDSZIX-PHIMTYICSA-N 313.321 -0.445 30 20 DBED C#Cc1cncc(C(=O)N[C@H]2C[C@@H](NC(=O)Cc3nc[nH]n3)C2)c1 974405845 HQAZEOJNAXMYFN-BETUJISGSA-N 324.344 -0.199 30 20 DBED CC1(C)CN(CC#N)C[C@@H]1NC(=O)Cn1ccc(O)nc1=O 974785752 VTGQKHAKPDFHTK-JTQLQIEISA-N 305.338 -0.701 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]2CCN(C(=O)Cn3cncn3)C[C@@H]21 976048609 RPFTVBWKIYGUKL-AGIUHOORSA-N 316.365 -0.113 30 20 DBED C=C1CC(C)(C(=O)N[C@H]2[C@@H]3CN(C(=O)c4nnn(C)n4)C[C@@H]32)C1 977155622 OKDDEJSVFRHQFP-URLYPYJESA-N 316.365 -0.247 30 20 DBED N#CCN1C[C@H]2[C@H](CNC(=O)c3cn([C@@H]4CCOC4)nn3)[C@H]2C1 978976034 XMRCWOPVYKGGQX-LPWJVIDDSA-N 316.365 -0.329 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(N(C)[C@H]2CCC(=O)NC2=O)CC1 985338674 LNMIZSDYZIQZKX-JQWIXIFHSA-N 306.366 -0.126 30 20 DBED C#CCN[C@H]1CCN(C(=O)Cc2ccc(C(N)=O)nc2)[C@H]1C 986416612 VXARGTOLFYAVBP-AAEUAGOBSA-N 300.362 -0.065 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)CC(N)=O)[C@@H]2C)nc1 989158532 CLULROUGSQDGDS-PWSUYJOCSA-N 314.345 -0.343 30 20 DBED CN(C)C(=O)Cn1cc(C(=O)N2CCCN(CC#N)CC2)nn1 989739557 UNZCFNWAYUDNTM-UHFFFAOYSA-N 319.369 -0.962 30 20 DBED C[C@@H]1C[C@H](NCC#N)CN1C(=O)c1cn(CC(=O)N(C)C)nn1 989831989 OFUPKYJLMPCLBI-MNOVXSKESA-N 319.369 -0.918 30 20 DBED C#CCCN1CCC[C@H](NC(=O)CN2CCC(=O)NC2=O)[C@@H]1C 994168634 PUQHQYVGFGAHHA-STQMWFEESA-N 320.393 -0.079 30 20 DBED CCN1CCOC[C@@H]1C(=O)NCC1CN(C(=O)C#CC2CC2)C1 1002972794 QFAJLURWBPDAHM-OAHLLOKOSA-N 319.405 -0.305 30 20 DBED N#Cc1ccc(C(=O)N2CCN(C(=O)[C@H]3CCC(=O)N3)CC2)[nH]1 1010697029 KDKPOSFNSNYHHC-GFCCVEGCSA-N 315.333 -0.551 30 20 DBED C[C@H]1[C@@H](NC(=O)Cn2cncn2)CCN1C(=O)C#CC1CC1 1011742485 OPRSFFKQBYEQJG-AAEUAGOBSA-N 301.350 -0.203 30 20 DBED C=C1CC(C)(C(=O)N2CCN(C(=O)[C@H]3CNC(=O)N3)CC2)C1 1012289927 DLPXLLQGEMYOLC-LLVKDONJSA-N 306.366 -0.305 30 20 DBED Cn1oc(C(=O)NC2[C@H]3CN(C(=O)C#CC4CC4)C[C@H]23)cc1=O 1013015039 YVRPHJUFUQXDPD-QWRGUYRKSA-N 315.329 -0.422 30 20 DBED O=C1CC[C@@H](C(=O)NC2[C@H]3CN(C(=O)C#CC4CC4)C[C@H]23)N1 1013508756 PGMRITBJZQQEBK-SRVKXCTJSA-N 301.346 -0.749 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)C1 1016174572 LZTVWYMWMXHNJE-LLVKDONJSA-N 306.366 -0.469 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CC(NC(=O)C(N)=O)C1 1016569235 WATAQIYJCXKFPB-QQFIATSDSA-N 309.366 -0.442 30 20 DBED C#CCN1CCC2(CC1)C[C@@H]2NC(=O)CN1C(=O)CNC1=O 1016964236 HCFVKZBOJBBLFA-NSHDSACASA-N 304.350 -0.858 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NCc2cnon2)C1 1022220784 PGIOLCMZALDJFG-SCRDCRAPSA-N 303.366 -0.096 30 20 DBED C#CCN1CCC[C@@H]1CNC(=O)c1coc(S(N)(=O)=O)c1 1027977565 VIFDQDNDYFLJPX-LLVKDONJSA-N 311.363 -0.246 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NC1CN([C@@H]2CCN(C)C2=O)C1 1030332920 UAXYFBAJERRQTE-MCIONIFRSA-N 307.394 -0.001 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)c3c(C)ncn3C)C2)C1=O 1030481840 YQNLQGWBIMTFBV-CYBMUJFWSA-N 317.393 -0.071 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)C34CCN(CC3)C4)C2)C1=O 1031266493 UASUXWLXXPLUIN-CQSZACIVSA-N 318.421 -0.331 30 20 DBED C=CCN1CC[C@H](N2CC(CNC(=O)c3cnccn3)C2)C1=O 1031523335 BCUYAHRZZGBJNB-AWEZNQCLSA-N 315.377 -0.075 30 20 DBED C#CCN1CCC(C(=O)NCC2CN(CC(=O)N(C)C)C2)CC1 1032207203 HIGLPGHAWPFKDD-UHFFFAOYSA-N 320.437 -0.532 30 20 DBED N#CCN1CCO[C@@H](CNC(=O)[C@H]2CCc3nn[nH]c3C2)C1 1035574847 UMLZOVNFHSUVFK-QWRGUYRKSA-N 304.354 -0.750 30 20 DBED C=CCCCC(=O)NC[C@@]1(O)CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 1040727065 MBQNXMQXBWDTED-WQGACYEGSA-N 323.393 -0.456 30 20 DBED N#Cc1nccc(N2C[C@@H](O)[C@H](NC(=O)c3cc(F)c[nH]3)C2)n1 1041257888 LRBCLYMWXRCNKC-GHMZBOCLSA-N 316.296 -0.205 30 20 DBED CO[C@H](C)C(=O)NCC1(O)CN(C(=O)c2c[nH]c(C#N)c2)C1 1041757849 AWJUVNQJZCZQON-SECBINFHSA-N 306.322 -0.776 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)C[C@H]2CCOC2)C1 1042258126 BLZDAOPEQDCXHC-QWHCGFSZSA-N 324.377 -0.859 30 20 DBED C#CCCCCC(=O)NCC1(O)CN(C(=O)C2(C(N)=O)CC2)C1 1042664252 RHNJVBPPDOGECK-UHFFFAOYSA-N 321.377 -0.865 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(O)CN(C(=O)c2ccnn2C)C1 1042807068 NSULNSAAHLZZFH-CQSZACIVSA-N 322.365 -0.950 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(O)CN(C(=O)c2c[nH]nc2C)C1 1042814256 IDXCAAYRWYCAQV-CQSZACIVSA-N 322.365 -0.652 30 20 DBED O=C(C#CC1CC1)NCC1(O)CN(C(=O)c2cncc(F)c2)C1 1042957886 AXKSSDQYMYJNTE-UHFFFAOYSA-N 317.320 -0.063 30 20 DBED O=C(C#CC1CC1)NCC1(O)CN(C(=O)Cc2cccnc2)C1 1042959328 WHVWOOCRZVTCGN-UHFFFAOYSA-N 313.357 -0.273 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)c2ccsn2)C1 1043588772 JPUIFVCBMULPBG-UHFFFAOYSA-N 311.363 -0.351 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)Cc2ccc(O)nc2)C1 1043921606 FQODTJOQEWYAPL-SNVBAGLBSA-N 318.333 -0.821 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)Cc3cncnc3)C2)cn1 1043922775 ZWACKZGQTVFNDR-CABCVRRESA-N 324.344 -0.348 30 20 DBED CC(C)(C)C#CC(=O)N1CC(O)(CNC(=O)c2csnn2)C1 1044098693 QZFWPOCUOCDMSH-UHFFFAOYSA-N 322.390 -0.109 30 20 DBED C=CCN[C@@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)[C@H](C)C1 1044872116 NTORZHXDYSFZKS-GHMZBOCLSA-N 306.370 -0.468 30 20 DBED C=C(C)C[C@@H](C)C(=O)NCC1(O)CN(C(=O)Cc2nc[nH]n2)C1 1045059118 MKTRUDYFFMHZCY-LLVKDONJSA-N 321.381 -0.361 30 20 DBED CCc1nocc1C(=O)N1CC(O)(CNC(=O)[C@H](C)C#N)C1 1045551669 KRKJXWKRVDLYOY-SECBINFHSA-N 306.322 -0.300 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CCCC(=O)N2)C1 1047451054 QSQVLTCFPPYQPY-IHRRRGAJSA-N 307.394 -0.428 30 20 DBED C=CCCN1C[C@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@H]2C1 1049054373 OLTUKFAGFRGMON-RFQIPJPRSA-N 307.394 -0.014 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[C@H]2C)C1 1049171235 AVDYJDFUCXUIDD-BJJPWKGXSA-N 308.378 -0.289 30 20 DBED CCOc1cnc(C(=O)NC[C@H]2COCCN2CC#N)cn1 1051272460 DAKVVKCXZJLSAT-NSHDSACASA-N 305.338 -0.171 30 20 DBED N#Cc1cncc(N2CC[C@@H](NC(=O)c3cocn3)[C@@H](O)C2)n1 1051637922 JXEPDFAMMAZHOK-PWSUYJOCSA-N 314.305 -0.294 30 20 DBED C[C@H]1CN(C(=O)CNC(N)=O)C[C@H]1CNC(=O)C#CC1CC1 1051936738 XWKLNOVIZDQDLD-CMPLNLGQSA-N 306.366 -0.721 30 20 DBED C[C@H]1CN(C(=O)CSCC#N)C[C@@H]1CNC(=O)c1cnn[nH]1 1052045321 QLOPBVRRKOZJQK-UWVGGRQHSA-N 322.394 -0.114 30 20 DBED CN1C(=O)CC[C@H]1CC(=O)N1CCOC2(CN(CC#N)C2)C1 1053370147 WGAJJJFBWLYDAR-LBPRGKRZSA-N 306.366 -0.566 30 20 DBED C[C@H]1CC(=O)N[C@@H](C(=O)NC[C@H]2CCC3(CN(CC#N)C3)O2)C1 1053604208 YMSJUIJJBJVLPS-JHJVBQTASA-N 320.393 -0.226 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)c3cccn4nnnc34)CO2)C1 1053814612 RSPWDKOVYBOBIE-NSHDSACASA-N 312.333 -0.669 30 20 DBED N#CCN1CC[C@@]2(CCCN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)C1 1054146966 VNCIIFPBJKNHJR-NHYWBVRUSA-N 319.365 -0.577 30 20 DBED CCn1nncc1C(=O)N1CCN(c2cnc(C#N)cn2)CC1 1055798801 KKBCCMKOIWXVOR-UHFFFAOYSA-N 312.337 -0.078 30 20 DBED CN1C[C@@H](C(=O)N2CCN(c3cncc(C#N)n3)CC2)NC1=O 1055974467 HPOQQHONAYCEJR-NSHDSACASA-N 315.337 -0.980 30 20 DBED Cn1cnc(C(=O)N[C@H]2[C@@H]3CN(c4cnc(C#N)cn4)C[C@@H]32)n1 1056200210 CCWDHKOMCUXTFY-IAZYJMLFSA-N 310.321 -0.659 30 20 DBED C=CCCOCC(=O)NCCN(CCO)C(=O)[C@H](C)OCC 1057060248 HUQAXGXOYLHHSS-ZDUSSCGKSA-N 316.398 -0.059 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)c1cn(CC)cn1 1057193966 VNLVAWLGTPNIJA-UHFFFAOYSA-N 324.381 -0.344 30 20 DBED Cn1nncc1C(=O)N1CCC[C@@H](N=c2cc[nH]c(C#N)n2)C1 1057634993 HCBYIAMPJBMOSZ-SNVBAGLBSA-N 312.337 -0.385 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)C[C@H]1CCN(C)C1 1058157748 HIOZZPMGFWSABZ-CHWSQXEVSA-N 310.398 -0.575 30 20 DBED C=CCCCC(=O)NCCN(CCO)C(=O)[C@@H](C)CC(N)=O 1058291794 JNEVNDSOHIVEKO-LBPRGKRZSA-N 313.398 -0.209 30 20 DBED C=C1CC(C)(C(=O)N(CCO)CCNC(=O)Cc2nc[nH]n2)C1 1058771182 UYPAPHNDEVOFSF-UHFFFAOYSA-N 321.381 -0.359 30 20 DBED C[C@@H](C#N)C(=O)NCC[C@@H]1CCN(C(=O)Cn2cncn2)C1 1060424753 SVAADZVANOCRLY-NWDGAFQWSA-N 304.354 -0.207 30 20 DBED C[C@@H](C#N)C(=O)N(C)Cc1ccccc1CNC(=O)C(N)=O 1060517614 DEJDDEZQBAHERT-JTQLQIEISA-N 302.334 -0.094 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1COCCN1C(=O)c1cn(C)nn1 1061566901 XIUVUPTTWRNBSO-GFCCVEGCSA-N 319.365 -0.568 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CCCCN1C(=O)Cn1nccn1 1062236592 LUSHZYFIMVZHOR-VXGBXAGGSA-N 304.354 -0.065 30 20 DBED Cc1nn[nH]c1C(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(C#N)n1 1062553601 HYNHUIAQXIEOTP-UWVGGRQHSA-N 310.321 -0.122 30 20 DBED C[C@@H](Nc1cncc(C#N)n1)[C@@H]1CCCN(C(=O)C(N)=O)C1 1063904319 JNRRUKGGFYKCNI-NXEZZACHSA-N 302.338 -0.127 30 20 DBED N#Cc1cncc(N2CC[C@@H]3CN(C(=O)CC(N)=O)CC[C@@H]32)n1 1063998353 BCXQESXEXWRXQW-PWSUYJOCSA-N 314.349 -0.349 30 20 DBED N#Cc1cncc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)Cc2nc[nH]n2)n1 1064293976 CZVDJMMFPZDBIZ-IPURGOFSSA-N 310.321 -0.598 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)[C@@H]2COCCN2C)CCC1 1064302058 CCCBJADBOANMLF-RYUDHWBXSA-N 308.382 -0.368 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(C(=O)c2cnsn2)CCO1 1064909590 ONTZVWKXUINHJM-LLVKDONJSA-N 320.374 -0.091 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(C(=O)[C@H](C)OC)CCO1 1064920917 DWXJGOLRIJQXDI-QWHCGFSZSA-N 312.366 -0.595 30 20 DBED C=CCOCC(=O)N1CCO[C@H](CNC(=O)C[C@H](C)OC)C1 1064975712 BNHUSKFIVFUDAW-QWHCGFSZSA-N 314.382 -0.042 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H](CNc2ccc3nnnn3n2)C1 1066603471 ZHCXELHRFAXPRL-UWVGGRQHSA-N 316.325 -0.682 30 20 DBED N#Cc1nc(=NC[C@H]2CN(C(=O)c3cnco3)CCO2)cc[nH]1 1066657595 MJHCIJRKPCRQLI-JTQLQIEISA-N 314.305 -0.289 30 20 DBED C[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@@H]1Nc1cnc(C#N)cn1 1067186907 KDBGQZIQEUINOX-KOLCDFICSA-N 314.349 -0.127 30 20 DBED N#Cc1ccc(N2C[C@H](CNC(=O)c3cncnc3)[C@@H](O)C2)cn1 1067664883 GVSVJZHOIMIUKR-WFASDCNBSA-N 324.344 -0.030 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CC[C@H](CNC(=O)CCN(C)C)O2)C1 1068624708 RCTTWZHFVXGOHG-CHWSQXEVSA-N 322.409 -0.026 30 20 DBED CCC1(NC(=O)Cn2ncnn2)CCN(C(=O)[C@H](C)C#N)CC1 1069580670 HZBRORUJOARIFC-LLVKDONJSA-N 319.369 -0.280 30 20 DBED CN(C(=O)c1nnn(C)n1)C1CC(Nc2cncc(C#N)n2)C1 1069789879 FGNXUSGAIKFDLT-UHFFFAOYSA-N 313.325 -0.413 30 20 DBED C=CCN[C@@H]1CN(C(=O)c2cnnn2CC)C[C@@H]1n1ccnn1 1070191174 WHUACSUFVHBVAV-YPMHNXCESA-N 316.369 -0.269 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@H](O)C(C)C)C[C@H]1c1cn(C)cn1 1070490298 HOWGMBIKILVBOL-NWANDNLSSA-N 304.394 -0.046 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)c2cc(C)on2)CC1 1070937254 NYFKPEKFQMZTIY-UHFFFAOYSA-N 304.350 -0.120 30 20 DBED C#CCCN1CCNC(=O)CCN(C(=O)c2csnn2)CC1 1070984115 ULAZYEMAECCJGQ-UHFFFAOYSA-N 321.406 -0.175 30 20 DBED C=CCOCC(=O)N[C@@H]1CCCN(C(=O)[C@@H](C)CC(N)=O)C1 1071069546 ULEBPUPGBLXLEO-NWDGAFQWSA-N 311.382 -0.192 30 20 DBED Cc1nn[nH]c1C(=O)N[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C 1071657427 DJNJKWCLHHZTGU-PSASIEDQSA-N 322.394 -0.053 30 20 DBED CC(C)C#CC(=O)N[C@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1C 1072165519 OYPKBUWVUOKLPT-RYUDHWBXSA-N 304.354 -0.704 30 20 DBED C#CCCCC(=O)N1CC(N2CCN(C(=O)COC)CC2)C1 1073525078 OBXUQRIWFVKKDE-UHFFFAOYSA-N 307.394 -0.209 30 20 DBED CC#CCN1CCCO[C@@H](CNC(=O)[C@@H]2CN(C)CCO2)C1 1073564294 VSDYDRNASWNLER-GJZGRUSLSA-N 309.410 -0.453 30 20 DBED CCn1nncc1C(=O)N1CC[C@@H]2OCCN(CC#N)[C@@H]2C1 1074237296 XCMMXUJSESAOMC-OLZOCXBDSA-N 304.354 -0.263 30 20 DBED C=CCOCC(=O)N1CC[C@@H](NC(=O)Cn2cncn2)[C@@H](C)C1 1074254705 SXRPLLHZAYKZQU-QWHCGFSZSA-N 321.381 -0.166 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)c3ccc(C(N)=O)[nH]3)C[C@@H]21 1074341013 OMQNYFBVAWFGAJ-UONOGXRCSA-N 316.361 -0.338 30 20 DBED C=CCOCC(=O)N1CC[C@H](NC(=O)Cn2cncn2)C[C@H]1C 1075203445 FPAZEPUDCVAARH-OLZOCXBDSA-N 321.381 -0.024 30 20 DBED C[C@@H](CCNC(=O)CCn1ccnn1)NC(=O)CSCC#N 1076283169 UBUKACXTKZXBKJ-NSHDSACASA-N 324.410 -0.064 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN([C@H](CC)C(N)=O)C[C@H]2O)nc1 1078031391 RAJLVTJPPRVBBU-MGPQQGTHSA-N 316.361 -0.898 30 20 DBED C[C@@H](CCNC(=O)[C@H](C)C#N)NC(=O)c1ccc2nnnn2c1 1078133821 WJLVSDXITDSSDI-ZJUUUORDSA-N 315.337 -0.091 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)Cn2ccc(C(F)(F)F)n2)C1 1078140113 YAXBFVLLNGRUNJ-RKDXNWHRSA-N 317.271 -0.413 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@H](C)N2CCCCC2=O)C1 1078224378 GWUINIIHSXGVCX-BFHYXJOUSA-N 307.394 -0.428 30 20 DBED CC(C)C#CC(=O)N1C[C@H](CNC(=O)CSCC#N)[C@@H](O)C1 1081286406 KSVPAJVQIOIWIW-STQMWFEESA-N 323.418 -0.162 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)Cc2nc[nH]n2)C[C@H]1O 1081335694 NYVSXWIAYWQXJH-WDEREUQCSA-N 307.354 -0.751 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)CCc2nc[nH]n2)C[C@@H]1O 1081336109 TXITVYIMWPMCNZ-RYUDHWBXSA-N 321.381 -0.361 30 20 DBED C=CCC(C)(C)C(=O)NC[C@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1O 1081491864 SDIXHGPVXRAIFE-WDEREUQCSA-N 321.381 -0.044 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CCCC(=O)N1C 1083261775 LRHYTNZUWZNXPD-QLFBSQMISA-N 319.405 -0.068 30 20 DBED C[C@H]1CCc2nc(C(=O)N[C@@H]3CN(CC#N)C[C@@H]3O)cn2C1 1083566793 BLBKIGMHDSSJAT-LOWVWBTDSA-N 303.366 -0.236 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)c2cc(OC)nc(OC)c2)C1 1083605894 VLEKXMNNZXEROF-OLZOCXBDSA-N 319.361 -0.103 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)c2ccc3oc(O)nc3n2)C1 1083950740 ZGYMOFMZPZXAIP-MNOVXSKESA-N 316.317 -0.273 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(C[C@H]3CCOC3)C[C@@H]2O)nc1 1083969427 BFSWXGYUXIMQPT-BMFZPTHFSA-N 315.373 -0.126 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@@H](N[C@@H]2CCNC2=O)C1 1086202019 DALNFWZETNAEAM-ITGHMWBKSA-N 307.394 -0.050 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)[C@H]1CC 1087840997 YKROJDJJBMZNQT-WCQYABFASA-N 318.381 -0.631 30 20 DBED C#CCN1CC[C@@H](NC(=O)Cn2cnc3c2CCCC3)[C@@H](O)C1 1090436126 NPEKOPVAMOOCMB-ZBFHGGJFSA-N 316.405 -0.054 30 20 DBED COc1cc(CC(=O)N[C@H]2CCN(CC#N)C[C@H]2O)ccn1 1090571254 BHBWZXBRFRTQHH-QWHCGFSZSA-N 304.350 -0.292 30 20 DBED C[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1NC(=O)C1(C(N)=O)CC1 1090827852 HGTHYSDXDCKXBS-MWLCHTKSSA-N 314.349 -0.445 30 20 DBED COc1ncnc(OC)c1C(=O)N[C@@H]1CCN(CC#N)C[C@H]1O 1090843076 GAWLHVVJXMMKQB-NXEZZACHSA-N 321.337 -0.818 30 20 DBED C[C@H](NC(N)=O)C(=O)NC[C@H]1C[C@H](Nc2ccc(C#N)nn2)C1 1091454980 ZGFYCYCLEXINEE-QXEWZRGKSA-N 317.353 -0.288 30 20 DBED CCOCC(=O)N[C@H]1CCN(c2cncc(C#N)n2)C[C@H]1O 1092129233 OXHKVHUXYZTLNL-NWDGAFQWSA-N 305.338 -0.559 30 20 DBED CN(C)CCC(=O)N[C@H]1CCN(c2ccc(C#N)nc2)C[C@@H]1O 1092174529 SOCJQMPEWFOCSC-GJZGRUSLSA-N 317.393 -0.039 30 20 DBED N#Cc1nccnc1NC1CC(CNC(=O)CCNC(N)=O)C1 1092218761 MVUFKXWYXNVUFJ-UHFFFAOYSA-N 317.353 -0.287 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCN(c2ccc3nnnn3n2)CC1 1093148505 LLNMNZYEAARYIK-AWEZNQCLSA-N 317.353 -0.505 30 20 DBED C#CCNC(=O)CC(=O)N1CCN(c2ncc(F)cn2)CC1 1093148698 NFTYSJYPZKDICC-UHFFFAOYSA-N 305.313 -0.596 30 20 DBED N#Cc1cccnc1N1C[C@H]2[C@H](NC(=O)CCn3cnnn3)[C@H]2C1 1093294723 YSENQQYYRHXUFF-IMRBUKKESA-N 324.348 -0.419 30 20 DBED CN1CC[C@H](CC(=O)NCCN=c2cc[nH]c(C#N)n2)C1=O 1093961613 ZKVDWXBGDOCVCU-SNVBAGLBSA-N 302.338 -0.833 30 20 DBED CN1CC[C@@H](C(=O)NCCN=c2cc[nH]c(C#N)n2)CC1=O 1094239541 TWAUMYCYRABCHD-SNVBAGLBSA-N 302.338 -0.833 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)c3ccc(C)nn3)CC2=O)C1 1094735368 LSPOLGZSXNNXJH-LBPRGKRZSA-N 315.377 -0.014 30 20 DBED Cc1ncn(C)c1C(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1 1094747390 RAYVPGUCWZTHOZ-LLVKDONJSA-N 316.365 -0.733 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)c3nc(C)oc3C)CC2=O)C1 1094803054 FNIMNSZQXZRAFN-GFCCVEGCSA-N 316.361 -0.060 30 20 DBED C#CCN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1nnc(O)nc1O)C2 1094955630 ZVDQKOWFZRBGBP-GUBZILKMSA-N 303.322 -0.501 30 20 DBED COC(=O)NCC(=O)N[C@H]1CCN(c2nccnc2C#N)C1 1096323876 CDTSLNWTKMGFRK-VIFPVBQESA-N 304.310 -0.601 30 20 DBED CCC(=O)NCC(=O)N[C@H]1CCN(c2ccc(C#N)nn2)C1 1096331434 OIPXOEALXSDDTK-NSHDSACASA-N 302.338 -0.431 30 20 DBED C[C@@H](CC(N)=O)C(=O)N1CC[C@H](Nc2nccnc2C#N)C1 1096973372 MBENEFQLFOLQEZ-UWVGGRQHSA-N 302.338 -0.127 30 20 DBED C[C@H](CNC(=O)CN1CCOCC1=O)N=c1cc[nH]cc1C#N 1098356686 SIRPTYMLHIOVEA-LLVKDONJSA-N 317.349 -0.849 30 20 DBED C=CCCN(CCO)C1CCN(C(=O)[C@H]2CCNC2=O)CC1 1098448812 SODFEWWMNLUBTG-AWEZNQCLSA-N 309.410 -0.016 30 20 DBED C=CCNCc1cn([C@@H]2CCN(C(=O)CN(C)C(C)=O)C2)nn1 1098618429 AXGDIBCQWLOBHY-CQSZACIVSA-N 320.397 -0.195 30 20 DBED N#CCSCC(=O)N1CC[C@@H](n2cc(CNCCO)nn2)C1 1098619066 RXOIATOHBFYWEC-GFCCVEGCSA-N 324.410 -0.610 30 20 DBED C#CCNCc1cn([C@H]2CCN(C(=O)c3cncn3C)C2)nn1 1098688804 YXZMELUIVUBLQZ-ZDUSSCGKSA-N 313.365 -0.178 30 20 DBED C[C@H](CCNC(=O)[C@H]1CN(C)CCO1)Nc1nccnc1C#N 1098998578 NAQBQLXHNSLPHW-DGCLKSJQSA-N 318.381 -0.014 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)C2=COCCO2)[C@H](O)C1 1099643026 ZZNLKVQSCNCIHB-CHWSQXEVSA-N 310.350 -0.924 30 20 DBED Cc1[nH]ccc1C(=O)N[C@@H]1CCN(CC(=O)NCC#N)C[C@H]1O 1099760329 HMRFXYFWGXZAMO-CHWSQXEVSA-N 319.365 -0.872 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)c2cnn(C)c2N)[C@H](O)C1 1099783841 XNULOACPCQSUPL-QWHCGFSZSA-N 323.397 -0.630 30 20 DBED Cn1ncc(CN2CC[C@H](NC(=O)C#CC3CC3)[C@@H](O)C2)n1 1099826660 OJFGOECXSVOPFY-KBPBESRZSA-N 303.366 -0.720 30 20 DBED C=CCCN1CC[C@@H](NC(=O)CCNS(C)(=O)=O)[C@@H](O)C1 1099860488 CQCSAFYECVDQQS-NEPJUHHUSA-N 319.427 -0.947 30 20 DBED Cc1cc(COCC(=O)N[C@H]2CCN(CC#N)C[C@H]2O)on1 1099889726 FLEDRYZWFJZACH-QWHCGFSZSA-N 308.338 -0.425 30 20 DBED CN(CCNC(=O)[C@H]1CCCNC1=O)c1cncc(C#N)n1 1100185349 VVIZLZCPJYVMAP-NSHDSACASA-N 302.338 -0.573 30 20 DBED Cn1nccc1CC(=O)NCC1CC(NCC(=O)NCC#N)C1 1100287164 FKLLPLLXJHKXKG-UHFFFAOYSA-N 318.381 -0.913 30 20 DBED COCC(=O)N[C@@H](C)C(=O)NCCN(C)c1cncc(C#N)n1 1100378373 LZVSTULBBCURQM-JTQLQIEISA-N 320.353 -0.948 30 20 DBED C=CCNC(=O)[C@H](C)NC1CC(CNC(=O)c2[nH]nnc2C)C1 1100557837 LDKGGSLSDNDQFT-UNXYVOJBSA-N 320.397 -0.098 30 20 DBED N#Cc1ccc(N2CC[C@H](CNC(=O)CCNC(N)=O)C2)nn1 1100979831 AZIFBDRAUWDJDJ-SNVBAGLBSA-N 317.353 -0.651 30 20 DBED COC[C@@H](OC)C(=O)NC[C@@H]1CCN(c2ccc(C#N)nn2)C1 1101049779 BFKPBBKVQLXAPQ-WCQYABFASA-N 319.365 -0.048 30 20 DBED CNS(=O)(=O)CC(=O)N(C)CCNc1ccc(C#N)cn1 1101627037 MNLUUXBULNTQBZ-UHFFFAOYSA-N 311.367 -0.627 30 20 DBED CN1C[C@H](C(=O)N(C)CCNc2ncccc2C#N)NC1=O 1101903303 YGWDLBGUPSRKNY-LLVKDONJSA-N 302.338 -0.153 30 20 DBED CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N(C)CCNc1nccnc1C#N 1101972283 UOSYLWFQJGLYCQ-MNOVXSKESA-N 316.365 -0.057 30 20 DBED N#Cc1cnc(N2CC[C@H](CCNC(=O)CNC(N)=O)C2)cn1 1102282621 AZXXGNMMJHCNAY-JTQLQIEISA-N 317.353 -0.651 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1CNC(=O)[C@H]1OCC[C@H]1C 1102384996 MYEXBKZAEUZIRI-BHPKHCPMSA-N 322.409 -0.265 30 20 DBED C#CCNCc1cn(C2CN(C(=O)Cc3nnc(C)o3)C2)nn1 1105227366 HQWLNYZXVORKFH-UHFFFAOYSA-N 315.337 -0.682 30 20 DBED CC(C)C#CC(=O)N1CC(n2cc(CNC[C@@H](C)O)nn2)C1 1105238090 JMRFPEMFXMRPQS-GFCCVEGCSA-N 305.382 -0.209 30 20 DBED Cc1cnn(C)c1C(=O)N1CC(n2cc(CNCC#N)nn2)C1 1105303080 CLUBLFDORITCNF-UHFFFAOYSA-N 314.353 -0.370 30 20 DBED CN(CCN(C)c1nccnc1C#N)C(=O)CCn1cncn1 1105329152 RZUKBZHOTUBOPT-UHFFFAOYSA-N 314.353 -0.075 30 20 DBED N#CCNCc1cn(C2CN(C(=O)[C@H]3C[C@@]34CCOC4)C2)nn1 1105357621 HHAXRQSWXDMYSQ-UKRRQHHQSA-N 316.365 -0.299 30 20 DBED CCCN(C)CC(=O)N1CC(n2cc(CNCC#N)nn2)C1 1105366378 LQZZZPRJFJQZQF-UHFFFAOYSA-N 305.386 -0.384 30 20 DBED C=CCCOCC(=O)N1CC(n2cc(CNCCOC)nn2)C1 1105380872 IUYSKMUWVIARKO-UHFFFAOYSA-N 323.397 -0.010 30 20 DBED CCc1nc(C#N)cc(NC[C@H](O)CNC(=O)[C@@H]2CCOC2)n1 1105738695 YPBXGQTZBLWCAJ-PWSUYJOCSA-N 319.365 -0.164 30 20 DBED Cc1nnsc1C(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1 1105743356 AFKZZZVEHLBPMM-QMMMGPOBSA-N 319.350 -0.867 30 20 DBED N#CCSCC(=O)NC[C@H](O)CN=c1cc[nH]cc1C#N 1105753865 CIWSPZTVOJFRGG-LLVKDONJSA-N 305.363 -0.479 30 20 DBED Cn1nncc1C(=O)NC[C@H](O)CNc1ncc(C#N)cc1F 1105832986 INHCEGFPVLUPCM-SECBINFHSA-N 319.300 -0.576 30 20 DBED CN(C)CCCCC(=O)NC[C@H](O)CNc1nccnc1C#N 1105908410 PDQWYVLRDBUVKI-LBPRGKRZSA-N 320.397 -0.031 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)[C@H]2CCCC(=O)N2)nc1 1105997326 OUMWGLVBYKMOET-NWDGAFQWSA-N 317.349 -0.489 30 20 DBED Cc1cc(=NC[C@@H](O)CNC(=O)c2cnn[nH]2)c(C#N)c[nH]1 1106172197 VPSCKTCBCXCHTH-SNVBAGLBSA-N 301.310 -0.996 30 20 DBED CNC(=O)NCCC(=O)N[C@H](C)CCN=c1cc[nH]c(C#N)n1 1106317234 UWZCYBBPGGUMMX-SNVBAGLBSA-N 319.369 -0.604 30 20 DBED C[C@@H]1CN(C(=O)CCc2nnc(O)nc2O)C[C@H]1CNCC#N 1106366648 UNHMAUBHIWEQRB-NXEZZACHSA-N 320.353 -0.577 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)[C@H]2CCN(C)C2=O)C[C@H]1C 1106554245 FZEMFNDDWJIVTL-KFWWJZLASA-N 321.421 -0.201 30 20 DBED N#Cc1nccnc1NC/C=C\CNC(=O)[C@H]1COC(=O)N1 1107174765 ALHSJLCXFORXGI-JWXWKVPASA-N 302.294 -0.459 30 20 DBED C#CCNC(=O)CN1CCO[C@](C)(CNC(=O)c2cc[nH]c2)C1 1107961325 WCXSODWJUAVTBJ-MRXNPFEDSA-N 318.377 -0.415 30 20 DBED C#CCCN1CCO[C@@](C)(CNC(=O)[C@H]2CCCC(=O)N2)C1 1108012781 DNJXBZKKYBXCHJ-CJNGLKHVSA-N 307.394 -0.115 30 20 DBED C#CCNC(=O)CN1CCO[C@@](C)(CNC(=O)[C@@H]2CC23CC3)C1 1108241386 ZVDWVROUDOUQBO-BBRMVZONSA-N 319.405 -0.257 30 20 DBED C#Cc1ccc(C(=O)NC[C@@]2(C)CN(CC(N)=O)CCO2)nc1 1108351875 QJSHNFIMIAVGRW-INIZCTEOSA-N 316.361 -0.631 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)COC[C@@H]1CCCO1 1108431475 ASJREXCALVPWIX-RYUDHWBXSA-N 319.365 -0.118 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1nnn(C)n1 1110546310 SWQLEOUIDLRGEJ-LOWDOPEQSA-N 318.381 -0.530 30 20 DBED N#Cc1ccc(NCCN(CCO)C(=O)CCNC(N)=O)cn1 1111473385 NQLKUEKGGPNPKA-UHFFFAOYSA-N 320.353 -0.756 30 20 DBED Cc1nonc1C(=O)N(CCO)CCNc1ccc(C#N)nn1 1111486744 DEIMPKQQBARFMF-UHFFFAOYSA-N 317.309 -0.414 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CCN(c2cncc(C#N)n2)C[C@@H]1C 1112400168 JMJMKSLQEYXQDT-CMPLNLGQSA-N 316.365 -0.185 30 20 DBED CS(=O)(=O)CC(=O)NC1CC(CNc2cncc(C#N)n2)C1 1112818999 DVFZRHUOIWSSOA-UHFFFAOYSA-N 323.378 -0.300 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)[C@@]23COC[C@@H]2C3)CC1 1112867235 IIRQJBCRWSXQHV-WWGRRREGSA-N 307.394 -0.142 30 20 DBED CNC(=O)NCC(=O)N[C@H](C)[C@@H](C)N=c1cc(C)[nH]cc1C#N 1113349601 GSWLAXLOMSUFQA-GHMZBOCLSA-N 318.381 -0.082 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CC(=O)N(C)C1)N(C)c1cnc(C#N)cn1 1113944292 ZBCLPTQIQLDHAO-WDEREUQCSA-N 316.365 -0.233 30 20 DBED Cc1ncc(CC(=O)NC2[C@H]3CN(CC(=O)NCC#N)C[C@H]23)o1 1114400764 JVKSTJSLEKMEQW-RYUDHWBXSA-N 317.349 -0.788 30 20 DBED CC[C@@H](C(=O)NC1[C@H]2CN(CC(=O)NCC#N)C[C@H]12)N(C)C 1114846506 LGCIIYBINDMIAD-SRVKXCTJSA-N 307.398 -0.987 30 20 DBED C=CCN(C(=O)[C@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 1115890371 HZDHMUWESCTBJH-WDEREUQCSA-N 321.420 -0.377 30 20 DBED Cc1cc(N2CC[C@@H](NC(=O)[C@@H](N)CCCC#N)C2=O)n(C)n1 1118125536 SQIJFUKZKOWDGB-NWDGAFQWSA-N 318.381 -0.029 30 20 DBED C=CCN(C(=O)c1ccc(C(N)=O)[nH]1)[C@@H]1CCS(=O)(=O)C1 1118798295 BKLVEMTWEGIVFC-SECBINFHSA-N 311.363 -0.071 30 20 DBED C=C(C)Cn1nnnc1N1CCN(c2cnn(C)c2)C(=O)C1 1120006646 QNNUBYLODKTRFW-UHFFFAOYSA-N 302.342 -0.164 30 20 DBED C=CCNC(=O)CNC1CC2(C1)CC(NC(=O)CC(N)=O)C2 1120885688 YYMYNAVHVSNRJP-UHFFFAOYSA-N 308.382 -0.819 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)C[C@H]2CCCO2)nn1 1121099367 GERPMOZTOSTTTH-VXGBXAGGSA-N 305.338 -0.194 30 20 DBED C#CCCN(CCOC)c1nnc(Cn2cnc(C#N)n2)n1C 1121255712 HBPLAMXACUUYQA-UHFFFAOYSA-N 314.353 -0.197 30 20 DBED N#Cc1cncc(N[C@@H](CO)CNC(=O)c2ccc(C#N)[nH]2)n1 1121317818 SDDYJLPNYDQSOB-LLVKDONJSA-N 311.305 -0.249 30 20 DBED CCn1ncc(C(=O)NC[C@H](CO)Nc2ccc(C#N)nc2)n1 1121473335 WYOAGKLRTVHQPO-GFCCVEGCSA-N 315.337 -0.233 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)c2c[nH]c(=O)cn2)nc1 1122514258 IXKIGTAXZDXYFF-SNVBAGLBSA-N 314.305 -0.761 30 20 DBED C[C@@H]1[C@H](Nc2cncc(C#N)n2)CCN1C(=O)CCNC(N)=O 1123013307 UNGOLQIIUHLBSJ-MWLCHTKSSA-N 317.353 -0.192 30 20 DBED C[C@H]1[C@@H](NC(=O)CNC(N)=O)CCCN1c1cnc(C#N)cn1 1123514948 TXTUGJUAEROONL-ONGXEEELSA-N 317.353 -0.510 30 20 DBED CCS(=O)(=O)CCCNCCNC(=O)CSCC#N 1123799152 KCFBENAOEJSZKV-UHFFFAOYSA-N 307.441 -0.226 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)C1CCOCC1 1124060099 RFIBMIUQKNCRBM-LBPRGKRZSA-N 319.365 -0.572 30 20 DBED CN(C[C@@H](O)CN(C)c1cnc(C#N)cn1)C(=O)c1cnco1 1125231778 VLQWRQJZUZBWLZ-NSHDSACASA-N 316.321 -0.094 30 20 DBED N#Cc1c[nH]c(C(=O)NCCNCC(=O)Nc2ccon2)c1 1125369782 ACKLKKOJRSZMDV-UHFFFAOYSA-N 302.294 -0.168 30 20 DBED C#CCO[C@@H](C)C(=O)NCCNC[C@H](O)COCC(C)C 1127052397 WKKIXOUPMUHLHG-KBPBESRZSA-N 300.399 -0.236 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1ncc(OC)cc1F 1128950323 YBTMHSCKEHERIT-UHFFFAOYSA-N 308.313 -0.702 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(CCO)C[C@@H]1n1ccnn1 1129481205 ISQBABMQHDPVCU-UPJWGTAASA-N 309.370 -0.797 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1n[nH]c(CC)c1Cl 1129715080 VRFDUCPSCRBQLF-UHFFFAOYSA-N 311.773 -0.306 30 20 DBED C#CCN1CC[C@H](c2n[nH]cc2CNC(=O)CC(=O)NCC)C1 1130383802 NCSUFNJDNYVCPC-LBPRGKRZSA-N 317.393 -0.025 30 20 DBED C#CCN1CCOC[C@H]1c1n[nH]c(CNC(=O)CCOC)n1 1130826424 ZBSJKEQBNIOUSX-NSHDSACASA-N 307.354 -0.536 30 20 DBED C#CCO[C@H](C)C(=O)NCc1nc([C@@H]2COCCN2CC)n[nH]1 1130846081 RDFWZDPIHNGDQN-NEPJUHHUSA-N 321.381 -0.148 30 20 DBED C#CCNC(=O)CN1C[C@H](NC(=O)c2cnn(C)c2)CC[C@@H]1C 1131772926 VRWCFVDSDSLXIX-GXTWGEPZSA-N 317.393 -0.248 30 20 DBED C[C@H]1CC[C@H](NC(=O)C#CC2CC2)CN1Cc1nc(=O)n(C)[nH]1 1132047467 XSBZJBYMXLBIHR-AAEUAGOBSA-N 317.393 -0.009 30 20 DBED C#CCN1C[C@H](NC(=O)CCS(=O)(=O)N(C)C)CC[C@H]1C 1132503963 FJYFBHZIHOLVHF-CHWSQXEVSA-N 315.439 -0.130 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CCCCC(=O)N1 1133694700 WXSHWXFBFCMXAJ-NEPJUHHUSA-N 310.398 -0.558 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)c1cc(C#N)c[nH]1)NCC(=O)NC(N)=O 1134014216 NZFDARXHOBBHDC-DTWKUNHWSA-N 320.353 -0.432 30 20 DBED C=CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)c1cncnc1O 1134721667 JIZRYUZSLULDBU-QWRGUYRKSA-N 321.381 -0.029 30 20 DBED C=CCn1cc(C(=O)NCCNCc2nnnn2CCC)nn1 1134973117 DVDLRCJPJBFONR-UHFFFAOYSA-N 319.373 -0.620 30 20 DBED C=CCCn1cc(C(=O)NCCNCCOCCOC)nn1 1135075276 DDOKMEFUIHCNNX-UHFFFAOYSA-N 311.386 -0.163 30 20 DBED C=CCCn1cc(C(=O)NCCNCc2cn(CC)nn2)nn1 1135075643 SPNSOXOFWLIUHC-UHFFFAOYSA-N 318.385 -0.015 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)Cc1cncn1C 1135943821 AMSKZGZELPKDCS-STQMWFEESA-N 319.409 -0.415 30 20 DBED C=CCOc1cccnc1C(=O)NCCN[C@H]1CCNC1=O 1147290423 IPZQUTINMDCTKN-NSHDSACASA-N 304.350 -0.146 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)Cc1ncc[nH]1)C2 1148485894 UZDDNZDXHKEZAB-UHFFFAOYSA-N 315.377 -0.764 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)COCc2ncnn2C)C1 1150541823 SSOGFFAJEAPRSI-CYBMUJFWSA-N 321.381 -0.828 30 20 DBED C=CCN1CCCO[C@H](CNC(=O)C[C@@H]2CC(=O)NC2=O)C1 1150842504 WKKGWRSEERYGBG-VXGBXAGGSA-N 309.366 -0.568 30 20 DBED C#CCN1CCC(CCOC)(NC(=O)Cc2nc[nH]n2)CC1 1151399319 ZVSRKDLBGLZLIV-UHFFFAOYSA-N 305.382 -0.032 30 20 DBED C[C@@H](C#N)C(=O)NCCCNCCN1C(=O)NC(C)(C)C1=O 1155860492 MDZYICZXMAYPLQ-JTQLQIEISA-N 309.370 -0.428 30 20 DBED C=CCNC(=O)NC(=O)CNCCCNC(=O)[C@H]1CC1(F)F 1157590047 HRDVYHMFDQFDPI-SECBINFHSA-N 318.324 -0.251 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)C[C@H]1CCC(=O)NC1 1159771177 ZFQRHACCCBKYFA-CHWSQXEVSA-N 324.425 -0.311 30 20 DBED C=CCNC(=O)CNCCCNC(=O)c1ccc2nc[nH]c2n1 1160745748 MUHMABYKJLMOAI-UHFFFAOYSA-N 316.365 -0.030 30 20 DBED C#CCNC(=O)CNCC1(CCNC(=O)c2cc[nH]n2)CC1 1163525331 YLROOTLDCNILHO-UHFFFAOYSA-N 303.366 -0.351 30 20 DBED CC(C)(C(=O)NCCCNCC(=O)NCC#N)c1cnc[nH]1 1171244346 NTZUQWIKMLIKBY-UHFFFAOYSA-N 306.370 -0.577 30 20 DBED N#CCSCC(=O)N1C[C@H]2CC[C@H]1[C@@H](CNCC(N)=O)C2 1177640100 VDEUKDOABFLAEL-TUAOUCFPSA-N 310.423 -0.055 30 20 DBED C#CCNC(=O)CC(=O)NCCCCCCNCC(=O)NC 1178262041 CPUOEXYILPIATO-UHFFFAOYSA-N 310.398 -0.862 30 20 DBED N#CCNCCCCCCNC(=O)CN1CCCS1(=O)=O 1178639124 MSTPSOKZPCKYSA-UHFFFAOYSA-N 316.427 -0.188 30 20 DBED COCCCNC(=O)CN[C@@H]1CCN(C(=O)C#CC(C)C)C1 1182422819 BXTYBXIHWJDGJC-CQSZACIVSA-N 309.410 -0.011 30 20 DBED N#CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3cscn3)[C@@H]2C1 1187247082 WHIMCHOEMNKNOX-CMPLNLGQSA-N 319.390 -0.071 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2ncccc2C)C1 1192109300 BODAPUOYHUJPLK-CHWSQXEVSA-N 318.377 -0.533 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)c2cc(OC)no2)C1 1192321366 XWWFYFYILLUIBN-GHMZBOCLSA-N 309.322 -0.892 30 20 DBED CCCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)C#CC2CC2)C1 1192862126 LSPMFFPKTMCEMZ-MRVWCRGKSA-N 307.394 -0.524 30 20 DBED C#CCC1(C(=O)N[C@@H]2CN([C@H](C)C(=O)N(C)C)C[C@H]2O)CCC1 1193691070 NBOVQVFVQJCFCG-MGPQQGTHSA-N 321.421 -0.182 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@H]1CCN(C(=O)c2nonc2C)C1 1194482899 BYNSQHNLZNGQSA-RYUDHWBXSA-N 319.365 -0.338 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)[C@H](OC)c2cnn(C)c2)C1 1195021083 QUQRAOGLVYVUEH-MGPQQGTHSA-N 308.382 -0.155 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC=CCC2)C1 1195295030 QRCMNEMFAGHZSM-RRFJBIMHSA-N 319.405 -0.357 30 20 DBED C#CCCCCCC(=O)N[C@@H]1CN([C@H]2CCNC2=O)C[C@H]1O 1195339497 YUTJZBHAMQVLDB-HZSPNIEDSA-N 307.394 -0.380 30 20 DBED C=CCCCC(=O)N[C@@H]1CN(CCCS(C)(=O)=O)C[C@H]1O 1195725750 OFUPJRFPOZUGGS-CHWSQXEVSA-N 318.439 -0.061 30 20 DBED C[C@H]1CO[C@H](C(=O)N2CCCN(CC(=O)NCC#N)CC2)C1 1196574426 PFXBOSDMJXCTIJ-OLZOCXBDSA-N 308.382 -0.415 30 20 DBED C[C@H](C(N)=O)N1C[C@@H](O)[C@H](NC(=O)CC#Cc2ccccc2)C1 1198939623 BLQYJINFABFZEQ-BPLDGKMQSA-N 315.373 -0.537 30 20 DBED C=CCOCCNC[C@@H]1CN(C(=O)CNC(N)=O)CCCO1 1199811527 PBLYCABHHXOFLX-GFCCVEGCSA-N 314.386 -0.936 30 20 DBED Cc1ncoc1C(=O)N1CCC(NCC(=O)NCC#N)CC1 1199960423 DKQMXTLQVUHSGC-UHFFFAOYSA-N 305.338 -0.183 30 20 DBED C#CCNC[C@@H]1CN(C(=O)Cn2cccc(C)c2=O)CCCO1 1200501278 PCMPNLVGWZZOSR-OAHLLOKOSA-N 317.389 -0.003 30 20 DBED C#CCNC[C@H]1CN(C(=O)c2ccn3nnnc3c2)CCCO1 1201120359 NTZBUPMIHATPBC-ZDUSSCGKSA-N 314.349 -0.422 30 20 DBED Cc1cncn1CC(=O)N1CCC(NCC(=O)NCC#N)CC1 1201631178 BFIRLDMGDGRAON-UHFFFAOYSA-N 318.381 -0.588 30 20 DBED C=CCn1cc(C(=O)N2CCC(N[C@H](C)C(=O)NC)CC2)nn1 1202826854 MMXANTUAOYGULZ-LLVKDONJSA-N 320.397 -0.207 30 20 DBED CNC(=O)CN[C@H]1C[C@H]2CC[C@H]1N(C(=O)CSCC#N)C2 1204013952 LVAMPZIVEMZBFO-GRYCIOLGSA-N 310.423 -0.042 30 20 DBED C#CCNC(=O)[C@H](C)NCC1CCN(C(=O)[C@@H]2CCOC2)CC1 1204705964 XCYLGZIWCNTDKT-DZGCQCFKSA-N 321.421 -0.011 30 20 DBED C[C@@H]1CN(CCOCCO)C[C@H]1NC(=O)CSCC#N 1206090103 KWGRKKRIWNMXII-VXGBXAGGSA-N 301.412 -0.311 30 20 DBED Cc1nn(C)cc1C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1206687098 QTFJBOZLUSSBLZ-ZWNOBZJWSA-N 318.381 -0.582 30 20 DBED C#CCOCCC(=O)N1CCC[C@H](NCc2cn(C)nn2)C1 1208031882 GJKHRBYOPDHJOJ-ZDUSSCGKSA-N 305.382 -0.064 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)C2(C(N)=O)CC2)C1 1209346169 RPBGACSUIPVPTK-NSHDSACASA-N 308.382 -0.865 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)Cc2ccoc2)[C@H](OC)C1 1212156380 IZBNUUYQVMNZDL-ZIAGYGMSSA-N 319.361 -0.613 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)CNC(=O)c2ccoc2C)C1 1219677001 JJVLIMARFHOKNW-OLZOCXBDSA-N 307.350 -0.335 30 20 DBED C=C(Cl)C(C)(C)C(=O)N[C@@H]1CN(C[C@@H](O)COC)C[C@@H]1O 1219703239 XZSQIUPSHMGJEP-UTUOFQBUSA-N 320.817 -0.066 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)c2csc(C)n2)C1 1220211931 URCPLELSKLMWRY-YPMHNXCESA-N 309.391 -0.124 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)C[C@H]3CCCO3)[C@@H]2C1 1221299257 WLSHAYBEUSQKPU-RBSFLKMASA-N 319.405 -0.162 30 20 DBED C=CCNC(=O)CN1CCC(CNC(=O)[C@H]2CCC(=O)N2)CC1 1222613377 YUNHTBDYWMHWHZ-CYBMUJFWSA-N 322.409 -0.605 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)CCCC(N)=O)CC1 1225664906 DRJZXEDJJSUJAI-UHFFFAOYSA-N 322.409 -0.780 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC(NC(=O)c2cncnc2)CC1 1226985852 LBPOZMXVLCCLMT-LBPRGKRZSA-N 315.377 -0.191 30 20 DBED CCN(CCC#N)C(=O)CN1CC[C@@H]1CN(C)C(=O)CC(N)=O 1231398880 RVFOLFHDKXKPGD-GFCCVEGCSA-N 323.397 -0.843 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)c1nn(C)cc1C 1234143002 XRCBIBVUKRKKJZ-ZDUSSCGKSA-N 317.393 -0.376 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C[C@@H]1CCN1Cc1nc(O)n[nH]1 1234267367 YBCYSPCDTRDNMQ-QWRGUYRKSA-N 307.354 -0.419 30 20 DBED C=CCNC(=O)CN1CC[C@H]1CN(C)C(=O)c1[nH]c(O)nc1C 1235636007 WMOVBNUMLORLNC-NSHDSACASA-N 321.381 -0.128 30 20 DBED CC(C)N1CCCN(C(=O)C(=O)N2CCO[C@H](C#N)C2)CC1 1261317760 JZLRQQYBIZKKKP-CYBMUJFWSA-N 308.382 -0.320 30 20 DBED C#CCSCC(=O)NS(=O)(=O)c1c(C)nn(C)c1OC 1262100465 QTNBBHTZAULMDB-UHFFFAOYSA-N 317.392 -0.092 30 20 DBED C=CCCN(C)C(=O)C(=O)Nc1cnn(CC(=O)N(C)C)c1 1321713680 SPJCXBIAPAHSEV-UHFFFAOYSA-N 307.354 -0.056 30 20 DBED Cn1nc2c(cc1=O)CN(C(=O)C(=O)NCCCCC#N)CC2 1322763581 ANVUAGYCJYRLRN-UHFFFAOYSA-N 317.349 -0.525 30 20 DBED C[C@H](NC(=O)C(=O)N1CCC(CC#N)CC1)[C@H]1CN(C)CCO1 1323568757 NIEQUXGRQJEWMA-GXTWGEPZSA-N 322.409 -0.026 30 20 DBED CC(C)OC(=O)[C@@H](C)CNC(=O)C(=O)N1CCO[C@H](C#N)C1 1325200586 NPYYZSRCOUBDQX-WDEREUQCSA-N 311.338 -0.559 30 20 DBED C#CCCCCNC(=O)C(=O)NCCCN(C)S(C)(=O)=O 1327780138 SDSHKQHAWWJDLU-UHFFFAOYSA-N 317.411 -0.696 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CC[C@H]2C[C@H]2C1 1328475551 JGNYZQPXPVWWBX-QWRGUYRKSA-N 300.380 -0.428 30 20 DBED C[C@@H]1CN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CCO1 1329345273 MQAQUWDEJHVKQE-YPMHNXCESA-N 306.366 -0.568 30 20 DBED C=CCC1(O)CCN(C(=O)C(=O)NC[C@@H]2COCCN2)CC1 1331205774 XKHYGYSFCTWLTI-GFCCVEGCSA-N 311.382 -0.979 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N1CC(OCCOC)C1 1333167849 HIDROFGOYBDFTQ-LBPRGKRZSA-N 312.366 -0.595 30 20 DBED C=CCN(C[C@H](O)C[C@@]1(O)CCOC1)[C@H]1CCS(=O)(=O)C1 1335565835 QECLYSWJLULFOS-MJBXVCDLSA-N 319.423 -0.436 30 20 DBED C=CCn1cc(Cn2nnnc2N2C[C@H](OC)[C@H](OC)C2)nn1 1335939025 JLUXCLPPTSSNBF-TXEJJXNPSA-N 320.357 -0.651 30 20 DBED C#CCOCCNC(=O)C(=O)NCc1ccc(OC)c(C#N)c1 1338166153 LHNRFVFANZFXJE-UHFFFAOYSA-N 315.329 -0.051 30 20 DBED C#CCC[C@H](O)CNC(=O)NCCN/C(O)=C1\N=CC=CC1=O 1339811551 QELRMCCJZCNVSO-JKJHPVACSA-N 320.349 -0.414 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N(C)C[C@@H]1CCN(C(C)=O)C1 1343081461 UKBRLRFMUJVOKE-QWHCGFSZSA-N 311.382 -0.370 30 20 DBED C=C(C)Cn1c(N2CCNC(=O)C2)nnc1[C@]1(O)CCOC1 1345888528 VHKWJIJFYFMVQP-AWEZNQCLSA-N 307.354 -0.602 30 20 DBED CN(CC1CCOCC1)C(=O)C(=O)N1CC[C@](O)(CC#N)C1 1345966712 VKDUFNGDPABSSF-OAHLLOKOSA-N 309.366 -0.252 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCC(C(=O)OCC)CC1 1346541826 AJZHUYSLKRSUPR-UHFFFAOYSA-N 310.350 -0.446 30 20 DBED C#CCOCCNC(=O)C(=O)N[C@H]1CCN(C(C)(C)C)C1=O 1349222258 MPRAPYHRAXUJRE-NSHDSACASA-N 309.366 -0.732 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2cccnc2NC)CC1 1358159065 YGFPFIZVKIGTNE-UHFFFAOYSA-N 315.377 -0.370 30 20 DBED N#Cc1cn(CC(=O)N[C@@H]2CCn3ccnc3C2)c(=O)nc1O 1362516747 HHRJHPGAGHGGTB-SNVBAGLBSA-N 314.305 -0.852 30 20 DBED CC(C)[C@@H]1CN(C(=O)CCn2cc(C#N)c(O)nc2=O)CCN1 1362995546 CBTKJGVBWOYQAV-LBPRGKRZSA-N 319.365 -0.333 30 20 DBED COCCN(CCNC(=O)Cc1ncc[nH]1)C(=O)[C@@H](C)C#N 1383330218 MWTSNEPYRSTTLM-NSHDSACASA-N 307.354 -0.297 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(CCNC(=O)Cc2cc[nH]n2)CC1 1396875117 CDBWXDVMJJJTLO-LBPRGKRZSA-N 318.381 -0.628 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CC[C@H](N[C@H](C)C(=O)NC(N)=O)CC1 1401055656 MDYSCIRLCRSBOB-VLEAKVRGSA-N 309.370 -0.254 30 20 DBED CCN(CCC#N)C(=O)CN1C[C@H]2CN(C(=O)COC)C[C@H]2C1 1402410696 HJSNTLYMPZKVSC-OKILXGFUSA-N 322.409 -0.215 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1cc2cccn2cn1 1416772333 QWMWQCJPDPZFJK-JQWIXIFHSA-N 315.333 -0.299 30 20 DBED C[C@H](C#N)C(=O)N(C)CCN1CCN(CC(=O)N2CCC2)CC1 1420902005 PUHQKTLQUDXSMP-CQSZACIVSA-N 321.425 -0.546 30 20 DBED C[C@H](C#N)C(=O)N(C)CCN(C)[C@H](C)C(=O)NC(=O)NC1CC1 1422153232 SBXDWJSYYAQGCE-GHMZBOCLSA-N 323.397 -0.087 30 20 DBED C=C(Cl)CN[C@@H](C)CN(C)C(=O)Cn1cnc(C(N)=O)n1 1423052530 VLEVVWNMINIBAV-VIFPVBQESA-N 314.777 -0.434 30 20 DBED CC(C)(CC#N)CS(=O)(=O)N1CC[C@@H](CS(N)(=O)=O)C1 1424787714 AWOHWLVYSKRMQM-SNVBAGLBSA-N 323.440 -0.134 30 20 DBED CC[C@@H](CNC(=O)CCn1ncn(C)c1=O)NC(=O)[C@H](C)C#N 1430662670 WMYZJWXQGRMRJK-MNOVXSKESA-N 322.369 -0.857 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)CN(C)C(=O)C2CC2)CC1 1432198153 OSOLKYUYGVGNQC-JTQLQIEISA-N 306.366 -0.221 30 20 DBED C[C@H]1CCN(CCNC(=O)Cn2cc(C#N)c(O)nc2=O)C1 1433738409 PUOYIBYIYWLVDA-JTQLQIEISA-N 305.338 -0.721 30 20 DBED CO[C@H]1CS(=O)(=O)C[C@H]1NS(=O)(=O)CC(C)(C)C#N 1434581853 ANSYUBSAXSLSRG-BDAKNGLRSA-N 310.397 -0.732 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CCCN(C(=O)C2(NC(N)=O)CC2)C1 1450183970 XSHWEGFVHVQRSX-UWVGGRQHSA-N 307.354 -0.546 30 20 DBED CNS(=O)(=O)CCC(=O)N(C)C[C@H](C)NC(=O)[C@H](C)C#N 1451029675 SXMACCCRGIECOC-ZJUUUORDSA-N 318.399 -0.952 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1ncoc1C1CC1 1452405425 HSFBKGJHFHQTCT-SCZZXKLOSA-N 306.322 -0.081 30 20 DBED N#Cc1cn(CCNC(=O)[C@H]2C[C@@]23CCOC3)c(=O)nc1O 1453844995 RUQHSXPFOURONL-QMTHXVAHSA-N 304.306 -0.637 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@]2(CCN(C(=O)CCNC(N)=O)C2)C1 1459149547 GTPQGBFDLCHKER-IAQYHMDHSA-N 321.381 -0.345 30 20 DBED CC[C@H](CO)NCC(=O)N1CCN(c2oc(C)nc2C#N)CC1 1460785999 BFDFWWVZDZEQOQ-GFCCVEGCSA-N 321.381 -0.136 30 20 DBED C#CCNC(=O)C1CCN(C(=O)N[C@H](C)c2nnnn2C)CC1 1521784517 MNMSDXQNSYECRU-SNVBAGLBSA-N 319.369 -0.558 30 20 DBED CON=CC(=O)N[C@H]1CC(=O)N(C2CC2)[C@@H]1c1ccnn1C 1548529994 HDLLMACROZRVBA-HZMBPMFUSA-N 305.338 -0.027 30 20 DBED C=CCN1CC[C@H](NC/C=C\CNC(=O)CNC(=O)O)C1=O 1573368853 SJIJEPAISFUEAL-BYCRGOAPSA-N 310.354 -0.697 30 20 DBED CN(C)C[C@@]1(O)CCN(C(=O)C2CC3(CNC[C@@H]3C#N)C2)C1 1578412840 VMKGBPCXMDACBL-FQSHHYAASA-N 306.410 -0.349 30 20 DBED C#CCN1CCN(C(=O)CN[C@@H](C[C@H]2CCCO2)C(=O)O)CC1 1588477426 QBRYLHSGNZOMJE-KGLIPLIRSA-N 323.393 -0.624 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)c1c[nH]c(-c2nn[nH]n2)c1 1588658218 CFNZJLWGPAATMA-UHFFFAOYSA-N 319.281 -0.637 30 20 DBED C[C@@H](CNC(=O)C#CC1CC1)Nc1ccc(-c2nn[nH]n2)nn1 1589849150 YTYHWKODWJOASH-VIFPVBQESA-N 312.337 -0.013 30 20 DBED N#Cc1nc(N2CC[C@@H](O)C(F)(F)C2)cnc1-c1nn[nH]n1 1592704910 TVVDXWTXSDJNSZ-SSDOTTSWSA-N 308.252 -0.265 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)C(=O)NCC2(C(=O)O)CCC2)C1 1594606020 MSOBPEUTCSMTGB-CQSZACIVSA-N 309.322 -0.765 30 20 DBED N#Cc1cccc([C@H](O)CN2CCS(=O)(=O)C[C@@H]2C(=O)O)c1 1594626410 ZIBRJKNXXCYQGP-CHWSQXEVSA-N 324.358 -0.225 30 20 DBED COCCN(CCNC(=O)[C@@H](C)C#N)c1ncc(C(=O)O)cn1 1599238121 KEPNAFJXUDCBJJ-JTQLQIEISA-N 321.337 -0.097 30 20 DBED N#CC1(CS(=O)(=O)NCCC(=O)NCCC(=O)O)CC1 1601058680 XGHDHNYYTTVWSZ-UHFFFAOYSA-N 303.340 -0.809 30 20 DBED C#Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O)cc1 1602742052 AXBPWGLZJNIIMN-UWVGGRQHSA-N 324.358 -0.076 30 20 DBED C=C(CCC(=O)OC)C(=O)N1CCC[C@@H]1C(=O)NCC(=O)O 1602787624 NQPLJVRIFAKVFX-SNVBAGLBSA-N 312.322 -0.312 30 20 DBED CC[C@]1(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[nH]2)CCNC1=O 1604081818 QCCBRHAGVPVDQG-LBPRGKRZSA-N 315.297 -0.684 30 20 DBED N#Cc1nc(N)n(C[C@@H]2C[C@H]3COC[C@@H]3O2)c1-c1nn[nH]n1 1606390164 ZPJUBTMZNIRPSA-ZKWXMUAHSA-N 302.298 -0.679 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC[C@@H](NC(=O)c2cnn(C)n2)C1 1713087296 UMKKFLYEBGIUTB-GHMZBOCLSA-N 306.370 -0.690 30 20 DBED C=CCOCCN1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CNC(=O)N1 1752543363 XEIKVNYBGKICNT-XQQFMLRXSA-N 308.382 -0.454 30 20 DBED CC#CCN[C@H]1C[C@H](NC(=O)c2ccc(=O)n(CCOC)n2)C1 1752640742 BUWCZICGTFJDPI-JOCQHMNTSA-N 318.377 -0.237 30 20 DBED C#CCOCCC(=O)NC[C@@H](C)NCc1nnc2n1CCOC2 1752872842 LCUOIUGIUIVKBS-GFCCVEGCSA-N 321.381 -0.558 30 20 DBED CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H](N(C)CC(=O)NCC#N)C1 1752986614 BLCVPPFGXHGLAM-WCQYABFASA-N 323.397 -0.926 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@H](CNC(=O)Cc2cnoc2)C1 1753133562 XXPOJIHETVJKHB-CHWSQXEVSA-N 318.377 -0.207 30 20 DBED C#CCNC(=O)CN[C@H](C)C1CCN(C(=O)CCOC)CC1 1753270945 LWYQWTBJONQJQC-CYBMUJFWSA-N 309.410 -0.011 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H](CC)CNC(=O)Cc1cc[nH]n1 1753469407 ZJOJMGGXBZMUGU-NWDGAFQWSA-N 305.382 -0.426 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H](CNC(=O)c1cnon1)C(C)C 1753844329 ZSDGNNZZTHQXPG-GHMZBOCLSA-N 307.354 -0.449 30 20 DBED C#CCCNC[C@@H](O)CNC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F 1753914938 NXVOTXDEFJQVLH-MXWKQRLJSA-N 324.299 -0.577 30 20 DBED C#CCNC(=O)CNC[C@@H](O)CNC(=O)[C@H](C)c1cccs1 1753927254 HFGQDWWKXRMWNT-VXGBXAGGSA-N 323.418 -0.332 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCCN[C@@H](C)C(=O)NC(=O)NC1CC1 1754362803 GLZOPIJBBZNZOW-QWRGUYRKSA-N 323.397 -0.039 30 20 DBED C#Cc1ccc(C(=O)N(C)CCCNCC(=O)NC(N)=O)nc1 1754408247 BWSNJVCYIJTZMV-UHFFFAOYSA-N 317.349 -0.691 30 20 DBED COCC#CCN1CC[C@H]1CNC(=O)[C@H]1CCNC(=O)CC1 1754503558 WOPXBXPFBROARF-KGLIPLIRSA-N 307.394 -0.257 30 20 DBED C#CCNC(=O)CN1CC(N(C)C(=O)Cc2cnn(C)c2C)C1 1754576632 SHWRCMNKIKVZPL-UHFFFAOYSA-N 317.393 -0.837 30 20 DBED C#CCCN1CCC(C)(CNC(=O)Cn2ncn(C)c2=O)CC1 1754718215 UDMLYEKPUROTHS-UHFFFAOYSA-N 319.409 -0.177 30 20 DBED COCc1cncc(C(=O)NC[C@]2(O)CCN(CC#N)C2)c1 1754754056 LIPSVVLZYIUGNA-OAHLLOKOSA-N 304.350 -0.082 30 20 DBED C#CCNCC[C@@H]1CCN(C(=O)CS(=O)(=O)CCOC)C1 1754920516 CXTDUYORSNJEIU-CYBMUJFWSA-N 316.423 -0.491 30 20 DBED C=CCNC(=O)CNC[C@H]1CN(C(=O)Cn2ccnc2)CCO1 1755018585 URZZMJFGULUYFX-ZDUSSCGKSA-N 321.381 -0.998 30 20 DBED Cc1noc(C)c1CC(=O)N[C@H](C)[C@H](C)NCC(=O)NCC#N 1755266161 DQJCLWZKDCBMKG-VHSXEESVSA-N 321.381 -0.043 30 20 DBED C#CCNC(=O)CN1CC(CCO)(NC(=O)c2ccco2)C1 1755329725 JSWPRBQYSRFXKT-UHFFFAOYSA-N 305.334 -0.804 30 20 DBED C#CCNC(=O)CN1CC([C@H](C)NC(=O)C[C@@H]2CCOC2)C1 1755385432 WORWTXUYVXEMOT-STQMWFEESA-N 307.394 -0.401 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@H](CO)NCC(=O)NC(C)(C)C 1755624913 AZNSPWNNOXDERH-NHYWBVRUSA-N 315.414 -0.705 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](CO)NCc1ncccn1 1755639399 PCGKKALDPFHLRX-UPJWGTAASA-N 306.366 -0.366 30 20 DBED C#CCCN(C)C[C@H](O)CN(C)C(=O)c1cnc(N(C)C)cn1 1755799842 BLHNXPBLDFHABI-ZDUSSCGKSA-N 319.409 -0.069 30 20 DBED C[C@@H](C#N)C(=O)NCC1=CCN([C@@H](C)C(=O)NC(N)=O)CC1 1755884208 MEQCPYYNVDTIRD-UWVGGRQHSA-N 307.354 -0.522 30 20 DBED C=CCCC(=O)NC1(CCO)CN(C(=O)c2[nH]nnc2C)C1 1756078324 QFJCZZFNXKABIB-UHFFFAOYSA-N 307.354 -0.227 30 20 DBED C=C[C@@](C)(CC)C(=O)N[C@@H](CO)CNC(=O)c1ccc(O)nn1 1756506584 RIZDTMDUGKWLOQ-BMIGLBTASA-N 322.365 -0.009 30 20 DBED C=CCn1cc(C(=O)N[C@H](CO)CNC(=O)[C@H](C)C2CC2)nn1 1756511370 ZJLHKURQSIRABJ-PWSUYJOCSA-N 321.381 -0.283 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@H](CO)NC(=O)c1cccnc1C 1756515977 SHFYZCOGEBOJCU-WBMJQRKESA-N 321.377 -0.076 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(C(=O)c2cscn2)C[C@H]1O 1756997247 KXTBNDRFQZTQDB-CKYFFXLPSA-N 323.374 -0.517 30 20 DBED NC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@H]1N(C(=O)C#CC1CC1)C2 1757046416 ASVVXOXOTDYPBD-JHJVBQTASA-N 303.362 -0.229 30 20 DBED C=CC(C)(C)CC(=O)N[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@@H]1O 1757177091 AQXFJMPUOXEFAM-MNOVXSKESA-N 321.381 -0.281 30 20 DBED CS(=O)(=O)N1CCC[C@@H]1C(=O)NCC1(C#N)CCOCC1 1772108681 QRBLVBGNDOXYGV-LLVKDONJSA-N 315.395 -0.153 30 20 DBED C=CCn1cc(C(=O)NCCc2cn(CC(=O)O)nn2)cn1 1776189201 IRCAVHVQUPXRPZ-UHFFFAOYSA-N 304.310 -0.282 30 20 DBED COCCN(CC(=O)O)S(=O)(=O)N1CCC(C#N)CC1 1777209587 VXXKOFXMFNWELI-UHFFFAOYSA-N 305.356 -0.500 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CCCN1C)CCO2 1783047204 ZOXHBTKYHKSZJM-BBRMVZONSA-N 305.378 -0.456 30 20 DBED C/C=C(/C)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783566704 ZGKKOSIHLSJEHH-WAVALHSVSA-N 320.345 -0.130 30 20 DBED C#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)O)[C@H]2C1 1791054324 AHWPBXNVMUBDLY-XUXIUFHCSA-N 308.378 -0.240 30 20 DBED N#CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncc[nH]1)C2 1795078057 OHTCDEJIYHVWMA-PEGIJTEDSA-N 303.322 -0.473 30 20 DBED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)C(C)C)CCO2 1830877120 XTVXKFLITNEKBI-GOEBONIOSA-N 324.377 -0.907 30 20 DBED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@@H]1C=CCN1)C2 1841599744 KRQSROUCEFUVQJ-KGLIPLIRSA-N 317.389 -0.244 30 20 DBED CCOC(=O)c1cnn(C)c1NC(=O)CN1CCO[C@@H](C#N)C1 67118241 MHIDBANUIOEVNM-JTQLQIEISA-N 321.337 -0.240 30 20 DBED Cc1nc(C(=O)N2CCN(S(C)(=O)=O)CC2)ccc1C#N 73805587 GRCAXBVZQMGNEY-UHFFFAOYSA-N 308.363 -0.021 30 20 DBED CN(CC(=O)OC(C)(C)C)c1c(C#N)c(=O)n(C)c(=O)n1C 180122782 KUFNUIYOXFNGQV-UHFFFAOYSA-N 308.338 -0.266 30 20 DBED N#C[C@H]1COCCN1C(=O)C1=CC=CN2CCS(=O)(=O)N=C12 266223186 RWNDGBPRDHNLBN-JTQLQIEISA-N 322.346 -0.765 30 20 DBED C#CCSCCNC(=O)C(=O)Nc1ccn(CCOC)n1 267914516 ALKJDKULIBHHEH-UHFFFAOYSA-N 310.379 -0.049 30 20 DBED C=CCNC(=O)CNC(=O)[C@@H]1CCCN(S(=O)(=O)CC)C1 271946388 ALDHIDJEDISWIU-LLVKDONJSA-N 317.411 -0.534 30 20 DBED N#Cc1cccc(NC(=O)C(=O)NCCN2CCNC(=O)C2)c1 272882035 HQICDMPPBDXQSS-UHFFFAOYSA-N 315.333 -0.955 30 20 DBED C[C@@H]1CN(C(=O)C(=O)Nc2sccc2C#N)C[C@H](C(N)=O)O1 294218763 WTTKCRCIWAKUNB-VXNVDRBHSA-N 322.346 -0.341 30 20 DBED O=C1CN(/C(O)=N/C[C@@H]2CCCS2(=O)=O)CCN1C1CC1 328652938 KFVPFCKRAKXPQI-NSHDSACASA-N 315.395 -0.216 30 20 DBED Cn1cc(N2CCN(/C(O)=N/C[C@@H]3COCCO3)CC2)cn1 329966941 VHEYCQLXYGYPMY-CYBMUJFWSA-N 309.370 -0.129 30 20 DBED CCOC(=O)[C@H](C)CNS(=O)(=O)N1CCO[C@H](C#N)C1 336890134 IXNVJSIIOPTDQR-NXEZZACHSA-N 305.356 -0.756 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N1C[C@@H](C)O[C@@H](C(N)=O)C1 336955368 YJPFYAKSPYUTIA-GMTAPVOTSA-N 318.399 -0.713 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1CCO[C@H](C#N)C1 337092269 MDOMVUYPLYXMDG-LLVKDONJSA-N 302.356 -0.682 30 20 DBED N#CCN(C(=O)Cn1cc(S(N)(=O)=O)cn1)C1CCCC1 344835384 UDEGTSCONVZAHL-UHFFFAOYSA-N 311.367 -0.175 30 20 DBED CC(=O)NC[C@H]1CN([C@H](C)C(=O)NC2(C#N)CCC2)CCO1 346244919 MQPSPLXTAFKTEI-YPMHNXCESA-N 308.382 -0.226 30 20 DBED C[C@H](NS(C)(=O)=O)C(=O)NCC(=O)c1ccc(C#N)cc1 356165140 KOJVYIGIXQLZJN-VIFPVBQESA-N 309.347 -0.205 30 20 DBED Cn1nncc1CNC(=O)C(=O)N1CCc2ccc(C#N)cc21 358113544 BLRSPIKPNHPURX-UHFFFAOYSA-N 310.317 -0.108 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@H]3CCN[C@H]3C2)C1=O 372879023 OQRGYSJBJIVUCI-QWRGUYRKSA-N 320.349 -0.826 30 20 DBED C=CCN1CC[C@@H](N2CCC[C@@H](N3CCNCC3=O)C2)C1=O 420304885 JIKRFNQIMIAFQZ-ZIAGYGMSSA-N 306.410 -0.331 30 20 DBED CCN(CCC#N)C(=O)CN(C)[C@H]1CCN(S(C)(=O)=O)C1 428783239 JJNCEHLYQZWMHC-LBPRGKRZSA-N 316.427 -0.286 30 20 DBED COCCCS(=O)(=O)NCC(=O)N(C)C1(C#N)CCC1 433025115 HRFZBMOAMXCCEK-UHFFFAOYSA-N 303.384 -0.153 30 20 DBED CN(Cc1nc2c(=O)n(C)c(=O)n(C)c2[nH]1)CC(C)(C)C#N 433322821 SDBYZDVGGRFTEZ-UHFFFAOYSA-N 304.354 -0.058 30 20 DBED C#CCNC(=O)C1CCN(S(=O)(=O)CCOCC)CC1 491813479 ATVPRGCKMOCQBE-UHFFFAOYSA-N 302.396 -0.186 30 20 DBED N#C[C@H]1CN(S(=O)(=O)N2CCOCC3(CCC3)C2)CCO1 548818574 WTGMVJVXSCJGOE-LBPRGKRZSA-N 315.395 -0.042 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N(CCO)[C@@H](C)CC(=O)O 566312111 LAVQGNYFELAJQG-MNOVXSKESA-N 321.399 -0.130 30 20 DBED CS(=O)(=O)N1CC[C@H](NS(=O)(=O)c2ccc(C#N)o2)C1 572125665 FBFIDVZUDDPTSJ-QMMMGPOBSA-N 319.364 -0.537 30 20 DBED N#Cc1cncc(S(=O)(=O)N[C@@H](C(=O)O)[C@H]2CCOC2)c1 589542952 OZLQBHVYKBEJRJ-GXSJLCMTSA-N 311.319 -0.279 30 20 DBED CCN(CCC#N)S(=O)(=O)N1C[C@H](O)C[C@@H](C(=O)OC)C1 592120603 YYYSULRYKGLFKC-GHMZBOCLSA-N 319.383 -0.677 30 20 DBED CN(C)S(=O)(=O)N(C)CC(=O)N[C@]1(C#N)CCSC1 593444080 LTNXLLGDDJTZRA-JTQLQIEISA-N 306.413 -0.760 30 20 DBED CN(C[C@@H]1CCC[C@H]1O)C(=O)C(=O)N1CCN(CCC#N)CC1 601476196 JJPLAWIEECXYJO-UONOGXRCSA-N 322.409 -0.336 30 20 DBED CNC(=O)NCC(=O)NC1CCN(c2ccc(C#N)cn2)CC1 611181356 PBLIIWLBLBKBLS-UHFFFAOYSA-N 316.365 -0.033 30 20 DBED CC(C)NS(=O)(=O)CCNC(=O)N1CC[C@](F)(C#N)C1 615537268 WZTIPTQIHFLKTD-NSHDSACASA-N 306.363 -0.039 30 20 DBED C=CCN1CCC(NS(=O)(=O)C[C@H]2CNCCO2)CC1 631917055 FBBDCNDIRGEGEG-CYBMUJFWSA-N 303.428 -0.455 30 20 DBED C=CCC1(O)CCN(S(=O)(=O)CCS(C)(=O)=O)CC1 717470666 HSNTWSNQLVZOOD-UHFFFAOYSA-N 311.425 -0.236 30 20 DBED C[C@H]1CN(C(=O)CN(C)CCCc2[nH]nc(N)c2C#N)CCO1 760890092 RQBLGYJNQOLMOB-NSHDSACASA-N 320.397 -0.025 30 20 DBED N#Cc1cccnc1NCCNC(=O)C(=O)NC[C@H]1CCCO1 774461167 RMFGPZXSWJBLLM-GFCCVEGCSA-N 317.349 -0.223 30 20 DBED C#CCCN1CCN(CCNS(=O)(=O)CCCOC)CC1 776594578 NTFMPBUAWRPRAR-UHFFFAOYSA-N 317.455 -0.417 30 20 DBED CC(C)c1nnnn1CC(=O)OCC(=O)NC1(C#N)CCC1 784230143 JYJURCJVAIOFLM-UHFFFAOYSA-N 306.326 -0.098 30 20 DBED CNC(=O)[C@@H](C#N)C(=O)COCCNC(=O)c1ccccc1 784833392 JDCCTBREUMBNTL-LBPRGKRZSA-N 303.318 -0.112 30 20 DBED N#C[C@H]1CN(S(=O)(=O)NC[C@@H](O)c2ccccc2)CCO1 800057138 VJTKAYWZEQIXDI-QWHCGFSZSA-N 311.363 -0.221 30 20 DBED Cn1c(COC(=O)c2cnccc2C#N)cc(=O)n(C)c1=O 805719400 TWAURXCQDABVIO-UHFFFAOYSA-N 300.274 -0.292 30 20 DBED COc1cc(C#N)ccc1OCC(=O)NCCn1cnnn1 807919577 HYUCSTFQHAGYHO-UHFFFAOYSA-N 302.294 -0.251 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCOC[C@@H]1C1CC1)[C@H]1CCCO1 809305505 FAROKMIKICJUEZ-BFHYXJOUSA-N 306.362 -0.079 30 20 DBED C#CCO[C@H](C)C(=O)N1CCCC[C@H]1CNS(C)(=O)=O 822432969 PZQQTXNWFMEKLF-NEPJUHHUSA-N 302.396 -0.045 30 20 DBED C[C@@H](CS(=O)(=O)N1CCN(C2CC2)[C@@H](C#N)C1)C(=O)O 827545708 CSVTYZMZHQNENG-ONGXEEELSA-N 301.368 -0.291 30 20 DBED C#C[C@H](NC(=O)C(=O)N(C)C[C@H]1COCCO1)[C@@H]1CCCO1 829213765 BWAYTIXXNRUAFU-AVGNSLFASA-N 310.350 -0.843 30 20 DBED Cn1cc(C=NNC(=S)Nc2cccnc2)c(=O)n(C)c1=O 839389872 NBJXQYGUHHAUDD-UHFFFAOYSA-N 318.362 -0.201 30 20 DBED C#CC1CCN(C(=O)[C@H]2CCCN2C(=O)CNC(C)=O)CC1 843706539 CDURSHNQIVMAHI-CQSZACIVSA-N 305.378 -0.015 30 20 DBED C#CC[C@H](CO)NC(=O)c1cc(S(=O)(=O)N(C)C)cn1C 854543584 CWEASHDYQCATJY-SNVBAGLBSA-N 313.379 -0.611 30 20 DBED C#CCN1CCC[C@H](NS(=O)(=O)[C@H](C)C(=O)N(C)C)C1 885512197 UAZFKYXKTXEYFK-NEPJUHHUSA-N 301.412 -0.520 30 20 DBED C#Cc1cccc(CNC(=O)C(=O)NCCN2CCNC2=O)c1 898052292 RFCBVAQYAJAPPW-UHFFFAOYSA-N 314.345 -0.575 30 20 DBED C#CCN1CCC[C@@H](NC(=O)[C@@H](NS(C)(=O)=O)C(C)C)C1 923564416 YBBZIKYFLOHYBK-OLZOCXBDSA-N 315.439 -0.226 30 20 DBED CC(C)(CNC(=O)NCC#CCO)[C@@H]1COCC12OCCO2 923767335 GVAKZZUOTZZKHU-LBPRGKRZSA-N 312.366 -0.303 30 20 DBED CN(C(=O)c1cnn[nH]1)[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 937047874 AOUAUWIJJRCUQC-JTQLQIEISA-N 313.321 -0.009 30 20 DBED CN1C[C@@H](C(=O)N(C)[C@H]2CCN(C(=O)C#CC3CC3)C2)CC1=O 937349473 HEKCELMEQQPCCV-KBPBESRZSA-N 317.389 -0.063 30 20 DBED Cn1nncc1C(=O)N1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 940060076 BXVHLUZGOBAPRQ-SNVBAGLBSA-N 313.321 -0.341 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CN2C(=O)CNC2=O)[C@H](C)C1 944790312 PIQYFLKLBGTQEY-VXGBXAGGSA-N 306.366 -0.612 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCN(C(=O)C3(C(N)=O)CC3)CC2)C1 945033415 NURFCIGTYULYGJ-NSHDSACASA-N 318.377 -0.137 30 20 DBED O=C(CN1CCCC1=O)N[C@H]1[C@H]2C[C@H]1N(C(=O)C#CC1CC1)C2 946653187 MXLICQDUBLZDKR-AHIWAGSCSA-N 315.373 -0.262 30 20 DBED Cn1nncc1C(=O)NC[C@H]1CCN1C(=O)c1cc(C#N)c[nH]1 949671580 BZQFJIAGINTFRP-SNVBAGLBSA-N 313.321 -0.341 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]1CNC(=O)c1nccnc1C(N)=O 949880209 IRUYMMGRQRJEDL-RKDXNWHRSA-N 316.321 -0.934 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H](NC(=O)C(N)=O)C1 950971531 GMOSFFLILZHWTQ-WOPDTQHZSA-N 309.366 -0.440 30 20 DBED C=CCCn1cc(C(=O)N2CCN([C@H](C)C(N)=O)CC2)nn1 951607310 NEEXKRDPSTVAFY-LLVKDONJSA-N 306.370 -0.514 30 20 DBED C#CCN1CCC(C(=O)N2CCN([C@@H](CC)C(N)=O)CC2)CC1 957776603 NCZQLMXCIQTAPL-HNNXBMFYSA-N 320.437 -0.260 30 20 DBED C=C(C)CN1C[C@@H](O)[C@@H](CNC(=O)c2coc(C(N)=O)c2)C1 958277096 NDGFQIQOBQNCNU-NWDGAFQWSA-N 307.350 -0.023 30 20 DBED C#CCCN1C[C@H](CNC(=O)c2ccoc2CC(N)=O)[C@@H](O)C1 958348977 CHYKARDYDVZMOE-AAEUAGOBSA-N 319.361 -0.647 30 20 DBED CC#CCN1C[C@@H](O)[C@@H](CNC(=O)c2ccc3nncn3c2)C1 958480449 AXRAGGNSNBDVRC-UONOGXRCSA-N 313.361 -0.225 30 20 DBED C=C(C)CN1C[C@@H](O)[C@@H](CNC(=O)c2ccc(=O)n(CC)n2)C1 958494377 OZMYFWZPQHKBJR-GXTWGEPZSA-N 320.393 -0.138 30 20 DBED CC#CCN1C[C@H]2[C@H](NC(=O)c3nc(O)nc(O)c3OC)[C@H]2C1 962283679 WOVKMMLUPOJUOF-MYJAWHEDSA-N 318.333 -0.420 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)c3cnco3)C[C@@H]2O)[nH]1 962344129 WGWZDYLHGRSEOK-MNOVXSKESA-N 315.289 -0.510 30 20 DBED Cc1ccn(C)c1C(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1O 962488282 RFNUFGLDVPVVOK-TUAOUCFPSA-N 304.350 -0.205 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CCCN(C(=O)[C@@H]3CCC(=O)N3)[C@@H]2C1 963792734 WDVRXWLUURWXGV-ZDEQEGDKSA-N 318.377 -0.126 30 20 DBED COCCn1cc(C(=O)N[C@H]2CN(CC#N)CC[C@@H]2C)nn1 966000873 TXGLSBLFGZXZDK-RYUDHWBXSA-N 306.370 -0.112 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)Cn1cnnc1O 966397709 IGNHLDWWCFAGJA-ZYHUDNBSSA-N 317.349 -0.640 30 20 DBED CCN1C[C@H](C(=O)N2CC[C@]3(CN(CC#N)CCO3)C2)CC1=O 972408457 OTGYXTQYIIPUJG-CJNGLKHVSA-N 320.393 -0.318 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)[C@@]3(C)CCNC3=O)C2)C1 972549653 PNBFTWVGQSNMJS-HOTGVXAUSA-N 305.378 -0.551 30 20 DBED C#CCN1C[C@@H]2C(CNC(=O)[C@@H]3CC(=O)N(CCOC)C3)[C@H]2C1 978246843 NXZBFXFMFZWEMQ-BPLDGKMQSA-N 319.405 -0.592 30 20 DBED N#Cc1ccc(C(=O)NC[C@H]2C[C@@H](NC(=O)c3nc[nH]n3)C2)[nH]1 978745209 YQZNATAXGOZZKK-WAAGHKOSSA-N 313.321 -0.057 30 20 DBED C#CCN1CCC(C(=O)N[C@@H]2CCC[C@@H](NCC(N)=O)C2)CC1 981542640 VJNAZOZIGPYIKW-HUUCEWRRSA-N 320.437 -0.166 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](NC(=O)CN2CCOCC2)[C@H]1C 987632393 UTZWAOYXDZAUHG-UPJWGTAASA-N 308.382 -0.416 30 20 DBED O=C(N[C@H]1CCN(C(=O)C#CC2CC2)C[C@H]1O)c1cccnn1 991700996 AHZYWCDTEWAJDT-GXTWGEPZSA-N 314.345 -0.418 30 20 DBED C=CC(C)(C)C(=O)N1CC(NC(=O)c2cn(C)c(=O)n2C)C1 994286686 VXICXHVIKKGTNA-UHFFFAOYSA-N 306.366 -0.123 30 20 DBED C#Cc1cncc(C(=O)N2CC(NC(=O)c3cnn(C)n3)C2)c1 995711771 ZGNVZQBCGJBIGT-UHFFFAOYSA-N 310.317 -0.554 30 20 DBED C#CCN[C@@H]1CN(C(=O)CN2C(=O)NC(C)(C)C2=O)CC1(C)C 996583567 JJJVJCHTZPFXCF-LLVKDONJSA-N 320.393 -0.223 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)C[C@@H]2CCCCC(=O)N2)C1 997231898 GXNOUCCTDCYPMY-QWRGUYRKSA-N 306.366 -0.078 30 20 DBED Cn1nnc(CN[C@@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)C2)n1 998851804 XGDMMXGTDLDIAG-LLVKDONJSA-N 314.353 -0.196 30 20 DBED C=C(C)CN[C@@H]1CCCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 1000961660 VHDYNVGSQSRKJQ-VXGBXAGGSA-N 301.412 -0.165 30 20 DBED COc1c(O)nc(O)nc1C(=O)NCC1CCN(CC#N)CC1 1002047145 VSFAAPYFKUTXBY-UHFFFAOYSA-N 321.337 -0.138 30 20 DBED Cn1cc(C(=O)NCC2CN(C(=O)C#CC3CC3)C2)n(C)c1=O 1002642169 KQEKVQDDABVBLS-UHFFFAOYSA-N 316.361 -0.675 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(CNC(=O)c2[nH]nnc2C)C1 1003538487 FGXHZMZCCOCLPI-NEPJUHHUSA-N 319.365 -0.108 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)Cn2cncn2)C1 1008398809 CPHYNZWDLMMWNK-HUBLWGQQSA-N 316.365 -0.065 30 20 DBED N#CCN1CCC[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)C1 1009206116 WECSFJQMMCJZHP-VIFPVBQESA-N 301.310 -0.865 30 20 DBED C#Cc1ccc(C(=O)NC2CC(N(C)C(=O)C(N)=O)C2)cn1 1016949249 MBXRSDSHQQSGEB-UHFFFAOYSA-N 300.318 -0.733 30 20 DBED N#Cc1ccc(C(=O)N2C[C@@H]3CCN(C(=O)C(N)=O)[C@@H]3C2)[nH]1 1022548984 VFTSXCQKTNDULB-GZMMTYOYSA-N 301.306 -0.955 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H](NCc2nnnn2C)C1 1022736629 YYUYSMGMONTWAB-KXNHARMFSA-N 306.370 -0.462 30 20 DBED N#Cc1c[nH]c(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC3(F)F)C2)c1 1023613270 WBYYQOHOLSABGH-FBIMIBRVSA-N 324.287 -0.157 30 20 DBED C#CCN[C@@H]1CC[C@@H]2CN(C(=O)c3nccnc3C(N)=O)C[C@H]21 1026415439 HKGTWFYXLBSXFO-IJLUTSLNSA-N 313.361 -0.351 30 20 DBED CC(=O)N1CCO[C@H](C(=O)N2CCC[C@@H](N(C)CC#N)C2)C1 1027666742 JALUBOXZQCWVOA-KGLIPLIRSA-N 308.382 -0.320 30 20 DBED COCCN1C[C@@H](C(=O)NC[C@H]2CCCN2CC#N)CC1=O 1027916346 JSOQILPKOHSTQO-QWHCGFSZSA-N 308.382 -0.415 30 20 DBED C#CCN1[C@H]2CC[C@H]1CN(C(=O)[C@H]1C[C@H](OC)CN1C(C)=O)C2 1029410188 SDSIVCVPMJAUMR-YHUYYLMFSA-N 319.405 -0.069 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCC1CN(Cc2nncn2C)C1 1031740472 CTTZAVOOUQJGIG-AWEZNQCLSA-N 316.409 -0.539 30 20 DBED CC#CCN1CC[C@@H](N(C)C(=O)c2cn(C)c(=O)n(C)c2=O)C1 1033472359 HLBSCWYJSPYQHQ-GFCCVEGCSA-N 318.377 -0.746 30 20 DBED CCN(C(=O)[C@@H]1Cc2cncn2C(=O)N1)[C@@H]1CCN(CC#N)C1 1033904779 CQCBTNLVWSMKJZ-YPMHNXCESA-N 316.365 -0.188 30 20 DBED N#CCN1CCC2(CCN(C(=O)CN3CCNC(=O)C3)CC2)C1 1035214186 ZVGGVQDNWMYTCS-UHFFFAOYSA-N 319.409 -0.744 30 20 DBED COCCn1cc(C(=O)N2CCC3(CC2)CN(CC#N)C3)nn1 1035703604 MOOSBHBOMOJRMB-UHFFFAOYSA-N 318.381 -0.014 30 20 DBED CC[C@H]1CN(C(=O)c2cn(C)c(=O)nc2O)CC[C@@H]1NCC#N 1037974242 NWTSRFMWZVQJKC-JQWIXIFHSA-N 319.365 -0.160 30 20 DBED C#CCCN1CC[C@H]1CNC(=O)C1CC2(C1)NC(=O)NC2=O 1038802127 RPXXBGLOMIUHOK-VTWZXRTESA-N 304.350 -0.812 30 20 DBED CNC(=O)CCCC(=O)N1CC[C@@](O)(CNC(=O)[C@H](C)C#N)C1 1040760097 FNNHEIOGTIVDIR-IAQYHMDHSA-N 324.381 -0.858 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCOC3)C2)cn1 1040939299 PWLODDNWOVACND-LERXQTSPSA-N 302.334 -0.345 30 20 DBED N#Cc1cnc(N2C[C@@H](O)[C@H](NC(=O)C[C@H]3CCOC3)C2)cn1 1040961962 QNRAVYHLVLIIDE-RAIGVLPGSA-N 317.349 -0.559 30 20 DBED C=CCC(CC=C)C(=O)N1CC(O)(CNC(=O)CNC(N)=O)C1 1041384791 ONOMBRMNYCYMDS-UHFFFAOYSA-N 324.381 -0.887 30 20 DBED C=CCCCC(=O)N1CC(O)(CNC(=O)CNC(=O)OC)C1 1041702784 FOIDIFRVYCWXDA-UHFFFAOYSA-N 313.354 -0.612 30 20 DBED C#CCN1CC[C@]2(CCN(C(=O)Cn3c(O)nnc3O)C2)C1 1041804937 DZLCDVKOBMVORN-AWEZNQCLSA-N 305.338 -0.753 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)c2cnnc(C)c2)C1 1042039596 DMFQSJSKANMZIC-UHFFFAOYSA-N 320.349 -0.709 30 20 DBED C#CCN1CC[C@H]2CCN(C(=O)Cn3ccc(O)nc3=O)C[C@H]21 1042143449 UQRPPLOWLGMSLW-QWHCGFSZSA-N 316.361 -0.495 30 20 DBED CN(C(=O)c1cc(C#N)c[nH]1)C1CN(CC(=O)N2CCC2)C1 1042587670 OPIJUKBEWAQCAN-UHFFFAOYSA-N 301.350 -0.125 30 20 DBED CCn1nncc1C(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1042907340 XSCZNJSILFSFGV-UHFFFAOYSA-N 317.349 -0.986 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)[C@H](C)C2CC2)C1 1043033192 SYDKWUOKGGANKZ-GFCCVEGCSA-N 308.378 -0.238 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)CCOCC(F)F)C1 1043174733 KLUPGVNFIIAAKB-VIFPVBQESA-N 319.308 -0.493 30 20 DBED N#Cc1cnc(N2C[C@H](O)[C@H](NC(=O)c3ccncc3)C2)cn1 1043824237 UHGOIUVMNPSKND-OLZOCXBDSA-N 310.317 -0.277 30 20 DBED N#Cc1cnc(N2C[C@H](O)[C@H](NC(=O)C[C@@H]3CCOC3)C2)cn1 1043887204 QNRAVYHLVLIIDE-UHTWSYAYSA-N 317.349 -0.559 30 20 DBED C#CCCCCC(=O)N1CC(O)(CNC(=O)c2cnon2)C1 1045184563 MGJGQZWTVFWIBN-UHFFFAOYSA-N 306.322 -0.434 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)CN2CC[C@H](C)C2)C1 1046677417 UTVYXQSVGINMSQ-AWEZNQCLSA-N 321.421 -0.179 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)[C@H]2CC[C@@H](C)O2)C1 1047015800 WJESMMJXTWIREW-VXGBXAGGSA-N 312.366 -0.554 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3[nH]c(O)nc3c2)C1 1047433809 LHHOJXHMBGNQGA-RYUDHWBXSA-N 317.349 -0.033 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2cc3ncccn3n2)C1 1047573374 IVBWJWYNVGVZMG-KBPBESRZSA-N 313.361 -0.130 30 20 DBED CS(=O)(=O)C1(C(=O)N2C[C@@H]3CN(CC#N)C[C@@H]3C2)CCC1 1049144279 FHQZYLOXFZQSGQ-TXEJJXNPSA-N 311.407 -0.133 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)c1cn(C)c(=O)n1C)CCO2 1053545344 TVFARTANICQNOY-UHFFFAOYSA-N 318.377 -0.726 30 20 DBED C#CCN1CC2(CC[C@H](CNC(=O)[C@@H]3CCC(=O)NC3)O2)C1 1053620265 JBHCDDRUABIQER-CHWSQXEVSA-N 305.378 -0.505 30 20 DBED N#CCN1CC2(CC[C@@H](CNC(=O)[C@@H]3CCC(=O)NC3)O2)C1 1053620478 MYGCWDPGNCLIKP-NEPJUHHUSA-N 306.366 -0.614 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)Cn3c(C)csc3=O)CO2)C1 1054004664 SWUWEUGEDPGCLH-LBPRGKRZSA-N 321.402 -0.189 30 20 DBED C=CCOCC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CCC(=O)N3)C[C@@H]2C1 1055247979 ANJQXYPYPDOMOI-XQQFMLRXSA-N 321.377 -0.616 30 20 DBED N#Cc1cnc(N2CCN(C(=O)C[C@H]3CCC(=O)N3)CC2)cn1 1055849425 WYOCUDVBGMUYJB-LLVKDONJSA-N 314.349 -0.334 30 20 DBED N#Cc1cncc(N2CCN(C(=O)[C@@H]3CC[C@H]3C(N)=O)CC2)n1 1055974021 QXHSLACLJLBDKP-VXGBXAGGSA-N 314.349 -0.492 30 20 DBED C#CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)CSC 1056902705 QTERDFGBTFPNTJ-NSHDSACASA-N 302.396 -0.675 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCN(CCO)C(=O)c1cnn(C)c1 1056935346 CJMXJVHUDJFCDP-OAHLLOKOSA-N 324.381 -0.702 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)Cn1cccn1 1056965053 BFMZAYKZWCNZPZ-UHFFFAOYSA-N 306.366 -0.520 30 20 DBED C=CCCO[C@@H](C)C(=O)N(CCO)CCNC(=O)c1cc[nH]n1 1057144752 XYPXXUABIRIXTA-LBPRGKRZSA-N 324.381 -0.058 30 20 DBED C=CCO[C@H](C)C(=O)NCCN(CCO)C(=O)C[C@H](C)OC 1057163233 MQSGTQZGPXURJO-QWHCGFSZSA-N 316.398 -0.060 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)[C@@]1(F)CCOC1 1057196637 QCKLXZIGLYZDOQ-CQSZACIVSA-N 318.345 -0.745 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCN(CCO)C(=O)c1cnc(C)[nH]1 1057206182 IBGDTKPHOUXBSR-OAHLLOKOSA-N 324.381 -0.404 30 20 DBED N#Cc1nccc(N2CCC(NC(=O)Cc3nc[nH]n3)CC2)n1 1057900813 SJXCXUZJYCXGCU-UHFFFAOYSA-N 312.337 -0.206 30 20 DBED Cc1nonc1CC(=O)N[C@@H]1CCN(c2cnc(C#N)cn2)C1 1058430236 MZMDBTPRKXHOJU-SNVBAGLBSA-N 313.321 -0.023 30 20 DBED Cc1cc(C#N)nc(N2CC[C@@H](NC(=O)[C@@H]3CCNC3=O)C2)n1 1058507407 FABHRLZCVPARIX-ZYHUDNBSSA-N 314.349 -0.512 30 20 DBED COCc1nc(C(=O)NCCN(CCO)C(=O)[C@H](C)C#N)co1 1058656801 KVHXJKGYRVNBPS-SNVBAGLBSA-N 324.337 -0.469 30 20 DBED Cn1cc(C(=O)N[C@H]2C[C@H](N=c3cc[nH]c(C#N)n3)C2)nc1O 1059395791 HCECWPBGNLXQBF-KYZUINATSA-N 313.321 -0.418 30 20 DBED C[C@H](C#N)C(=O)NCC[C@H]1CCN(C(=O)Cc2nc[nH]n2)C1 1060428273 FOJAZIPAQUSYPL-MNOVXSKESA-N 304.354 -0.138 30 20 DBED C=CCC(CC=C)C(=O)N1CCOC[C@@H]1CNC(=O)CC(N)=O 1061453156 ONHAQDJYTAWMJZ-ZDUSSCGKSA-N 323.393 -0.026 30 20 DBED N#Cc1ccc(N2CC[C@@H](CNC(=O)[C@@H]3COCCO3)C2)nn1 1061525103 IOIIBBNSVYTUNU-AAEUAGOBSA-N 317.349 -0.294 30 20 DBED O=C(C#CC1CC1)NC[C@H]1COCCN1C(=O)[C@@]12COC[C@@H]1C2 1061573470 STMPGGDJGMIGKJ-ZQIUZPCESA-N 318.373 -0.220 30 20 DBED C=CCOCC(=O)N1CCOC[C@H]1CNC(=O)c1[nH]cnc1C 1061697115 KIGWDOITYNUWDD-GFCCVEGCSA-N 322.365 -0.122 30 20 DBED C#CCOCCC(=O)NC1(CNC(=O)[C@H]2COCCO2)CCC1 1062594330 XRMHQRPHDHEDSC-CYBMUJFWSA-N 324.377 -0.403 30 20 DBED CN(C(=O)[C@H]1CNC(=O)N1)[C@H]1CCN(c2nccnc2C#N)C1 1063024984 MORNFXYMMAMCKE-GXSJLCMTSA-N 315.337 -0.933 30 20 DBED C[C@H]1CCCN(C(=O)CC(N)=O)[C@H]1CN=c1cc[nH]c(C#N)n1 1063932503 PZLSXOCXAGXLBT-QWRGUYRKSA-N 316.365 -0.315 30 20 DBED N#Cc1cncc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)[C@@H]2[C@H]3COC[C@H]32)n1 1064322778 KXIDTTUDWLMSIV-SOBMSCLTSA-N 311.345 -0.066 30 20 DBED N#Cc1ccc(N2CC[C@H]3CCN(C(=O)CC(N)=O)C[C@@H]32)nn1 1064674575 IAHYEOBWYLXKNE-PWSUYJOCSA-N 314.349 -0.349 30 20 DBED N#Cc1cncc(N2CC[C@H]3CCN(C(=O)CC(N)=O)C[C@@H]32)n1 1064674846 MWUNUFSBASOBMW-PWSUYJOCSA-N 314.349 -0.349 30 20 DBED N#Cc1cnc(N2C[C@H](CNC(=O)c3ccon3)[C@@H](O)C2)cn1 1067654086 SBUHAHUAGUCGDQ-CABZTGNLSA-N 314.305 -0.437 30 20 DBED N#Cc1nccc(N2C[C@@H](O)[C@H](CNC(=O)c3ccon3)C2)n1 1067654119 SSQTVQTWGWDIAG-MWLCHTKSSA-N 314.305 -0.437 30 20 DBED N#Cc1cnc(NCC2CC(NC(=O)[C@@H]3CCC(=O)N3)C2)cn1 1067858520 DTWQKPIYEMKIGE-CBINBANVSA-N 314.349 -0.066 30 20 DBED C=CCOCC(=O)N1CC2(C[C@@H](NC(=O)COCC)CO2)C1 1068674331 LRZCGXZFOSPZMT-GFCCVEGCSA-N 312.366 -0.288 30 20 DBED C=CCCC(=O)N1CC2(C[C@H](NC(=O)CC(=O)N(C)C)CO2)C1 1068874477 QOGBVLMIYBOOHL-LBPRGKRZSA-N 323.393 -0.083 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1COC2(C1)CN(C(=O)c1cn[nH]c1)C2 1069003773 PPKABXUGFVFTAV-MWLCHTKSSA-N 303.322 -0.331 30 20 DBED C#CCN1CCn2ncc(CNC(=O)[C@@H]3CCC(=O)N3)c2C1 1069881603 NMQWNHDZGCAZJZ-LBPRGKRZSA-N 301.350 -0.773 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)Cn2cncn2)C1 1070090139 RIHDTEFVIXBJHQ-NEPJUHHUSA-N 302.342 -0.903 30 20 DBED CO[C@H](C(=O)N1C[C@H](n2ccnn2)[C@H](NCC#N)C1)C1CC1 1070187720 NSVBGPIVHJPYIK-AGIUHOORSA-N 304.354 -0.432 30 20 DBED Cn1cncc1[C@@H]1CN(C(=O)c2cnon2)C[C@H]1NCC#N 1070704946 UCIMGDOPAONTSO-MWLCHTKSSA-N 301.310 -0.476 30 20 DBED Cn1cncc1[C@@H]1CN(C(=O)Cc2nc[nH]n2)C[C@H]1NCC#N 1070709438 HGMFKGAGTFFFNV-GHMZBOCLSA-N 314.353 -0.812 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)[C@H]2CCC(=O)NC2)CC1 1070976925 VQDRLWSFDYQTEP-ZDUSSCGKSA-N 322.409 -0.651 30 20 DBED C=CCCOCC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CCC(=O)N2)C1 1071047299 LFJLUVDTEBILBP-OLZOCXBDSA-N 323.393 -0.035 30 20 DBED C[C@H]1CC[C@@H](NC(=O)c2cnc(O)n(C)c2=O)CN1CC#N 1071734941 DIWJNZPFXBGXIO-VHSXEESVSA-N 305.338 -0.408 30 20 DBED C=CCCC(=O)N1C[C@H](C)[C@@H](NC(=O)CS(=O)(=O)NC)C1 1071784537 GAYPOXSWNXFIKD-QWRGUYRKSA-N 317.411 -0.535 30 20 DBED C=CCOCC(=O)N1C[C@@H](NC(=O)COCCOC)[C@H](C)C1 1071807983 DFTMUDXGACVULH-CHWSQXEVSA-N 314.382 -0.185 30 20 DBED C#CCN1C[C@H](NC(=O)CN2CCC(=O)NC2=O)CC[C@H]1C 1071968201 RVXNMLFQWHZQBJ-VXGBXAGGSA-N 306.366 -0.469 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(C(=O)CCNC(N)=O)C[C@@H]1C 1072066648 ONSOTSCYJPGFAT-NWDGAFQWSA-N 308.382 -0.189 30 20 DBED C[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@@H]1NC(=O)CSCC#N 1072635031 CRTYELAHFRYCMG-ZJUUUORDSA-N 324.406 -0.528 30 20 DBED C[C@H](C#N)C(=O)NC1(C)CCN(C(=O)[C@@H]2CN(C)C(=O)N2)CC1 1073181760 BWDDCIGLFBNHIP-MNOVXSKESA-N 321.381 -0.333 30 20 DBED CNC(=O)NCC(=O)N1CC[C@@H](NC(=O)[C@H](C)C#N)C(C)(C)C1 1073487515 UHMYQXZIXDPVRU-GHMZBOCLSA-N 323.397 -0.182 30 20 DBED C=CCOCC(=O)N1CCN(C2CN(C(=O)COC)C2)CC1 1073553593 CALWITQERMJZPI-UHFFFAOYSA-N 311.382 -0.810 30 20 DBED Cn1cc(C(=O)NC[C@@H]2CN(CC#N)CCCO2)ncc1=O 1073703495 PTMQVLJNPQEICI-LLVKDONJSA-N 305.338 -0.875 30 20 DBED CC#CCN1CCCO[C@H](CNC(=O)[C@H]2CN(C)C(=O)N2)C1 1073726380 KJFDDRJHIIVRNU-CHWSQXEVSA-N 308.382 -0.760 30 20 DBED N#CCN1CCO[C@@H]2CCN(C(=O)c3c[nH]c(C(N)=O)c3)C[C@H]21 1074404961 KLFXOSKNDKBQPF-CHWSQXEVSA-N 317.349 -0.448 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2cc(-c3ccco3)[nH]n2)C1 1077719231 XSQREXBJEAMNRV-VXGBXAGGSA-N 301.306 -0.032 30 20 DBED C#CCN[C@H]1C[C@H]2CC[C@H]1N(C(=O)c1cnc(O)n(C)c1=O)C2 1079012998 RVIXPGJVXUJWOI-KGYLQXTDSA-N 316.361 -0.298 30 20 DBED CCN(C(=O)[C@@H]1CCC(=O)N1)C1CN(C(=O)C#CC(C)C)C1 1080183977 MNJWFFUYBIHWFA-ZDUSSCGKSA-N 305.378 -0.016 30 20 DBED C#CCCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2n[nH]cc2F)C1 1081745280 ZFPQDKVKSKBYLZ-ZYHUDNBSSA-N 322.340 -0.099 30 20 DBED C=CCN1C[C@@H](NC(=O)Cn2c(C)cc(C)nc2=O)[C@H](OC)C1 1082278101 WMFFBGIKXFPAOV-ZIAGYGMSSA-N 320.393 -0.138 30 20 DBED C#CCCN1C[C@@H](NC(=O)c2cnc(OC)nc2)[C@H](OC)C1 1082295161 GRWXRXBMMIPJPZ-CHWSQXEVSA-N 304.350 -0.063 30 20 DBED C=CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1c[nH]c(=O)cn1 1083177760 MDBHIJQUSKCDQV-QWHCGFSZSA-N 304.350 -0.129 30 20 DBED N#CCN[C@H]1C[C@@H](CNC(=O)[C@H]2CCc3nnnn3CC2)C1 1086204063 BMRHJEMSYSYBLP-SDDRHHMPSA-N 303.370 -0.366 30 20 DBED CN1CC[C@@H](C(=O)NC[C@H]2C[C@@H](NCC#N)C2)S1(=O)=O 1086223231 GXBJDLSGYKBUAP-AXFHLTTASA-N 300.384 -0.972 30 20 DBED C#CCCN1CC[C@H](NC(=O)Cn2c(O)nnc2O)[C@H]1CC 1087811159 FAYUAXPWLBPJCR-WDEREUQCSA-N 307.354 -0.318 30 20 DBED C=CCn1cc(C(=O)N2CCCCC[C@@H](NCC(N)=O)C2)nn1 1088395833 RGMZBXLZSLEFSR-GFCCVEGCSA-N 320.397 -0.076 30 20 DBED C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCN1Cc1nnn(C)n1 1088529332 QUEQLNYAAOLISD-KOLCDFICSA-N 314.353 -0.197 30 20 DBED C=C(Cl)CN1CC[C@H](NC(=O)C2CN(C(C)=O)C2)[C@@H](O)C1 1090214088 UMWVFVVWRAMKLS-STQMWFEESA-N 315.801 -0.231 30 20 DBED C#CCCN1CC[C@H](NC(=O)Cc2cn(C)nc2C)[C@H](O)C1 1090332382 XCNVITJEOPVEGV-LSDHHAIUSA-N 304.394 -0.154 30 20 DBED COc1c(C(=O)N[C@H]2CCN(CC#N)C[C@H]2O)c(C)nn1C 1090616896 SGWSLIPDSXBNDI-WDEREUQCSA-N 307.354 -0.574 30 20 DBED C[C@H](CC(N)=O)C(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1C 1090804283 OFHZKLQWGQHVQK-CKYFFXLPSA-N 316.365 -0.199 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@@H]1O 1091081896 QPTZRZBUDVBJMJ-OLZOCXBDSA-N 302.334 -0.178 30 20 DBED CC[C@@H](OC)C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@@H]1O 1091087827 RVYXHPGIWQXACV-GRYCIOLGSA-N 305.338 -0.561 30 20 DBED CC[C@H](C(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O)N(C)C 1091122992 IFERXDGBWQEEEF-UPJWGTAASA-N 318.381 -0.646 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)Cn3cncn3)c3nccn32)C1 1092410928 PKSYLLXLDAPCJJ-NSHDSACASA-N 312.337 -0.730 30 20 DBED N#Cc1cnccc1N1C[C@@H]2C(NC(=O)CCn3cnnn3)[C@H]2C1 1093294688 YBEIHIGTBYPCKB-RYUDHWBXSA-N 324.348 -0.419 30 20 DBED Cc1cc(=NCCNC(=O)[C@@H]2COCCN2C)c(C#N)c[nH]1 1093554610 LISXWEYNIXZMGU-AWEZNQCLSA-N 303.366 -0.458 30 20 DBED Cc1ccc(C#N)c(NCCNC(=O)C2CC(=O)NC(=O)C2)n1 1093741608 JPDOTERHUXKPHW-UHFFFAOYSA-N 315.333 -0.157 30 20 DBED Cc1nc(NCCNC(=O)CN2CC(=O)NC2=O)ccc1C#N 1093787364 ATTLWADLEBVZFA-UHFFFAOYSA-N 316.321 -0.658 30 20 DBED Cc1cc(C#N)nc(NCCNC(=O)C[C@@H]2CCNC2=O)n1 1093921116 JIYXJCVXJUUWGY-JTQLQIEISA-N 302.338 -0.289 30 20 DBED COCC(=O)N[C@H](C)C(=O)NCCNc1nccnc1C#N 1094185097 HLXYLXACQIYALP-SECBINFHSA-N 306.326 -0.973 30 20 DBED N#Cc1nc(=NCCNC(=O)c2cnc3n2CCOC3)cc[nH]1 1094220094 FVNNMADMHHNFJT-UHFFFAOYSA-N 313.321 -0.661 30 20 DBED CCN1CC(N2C[C@H](NC(=O)c3c[nH]c(C#N)c3)CC2=O)C1 1094720950 CATHXFOKKJLKQQ-GFCCVEGCSA-N 301.350 -0.079 30 20 DBED N#CCN1CC(N2C[C@H](NC(=O)CC3OCCCO3)CC2=O)C1 1094726592 UKLXOQSHGVQXIL-LLVKDONJSA-N 322.365 -0.936 30 20 DBED CCn1ccc(C(=O)N[C@H]2CC(=O)N(C3CN(CC#N)C3)C2)n1 1094792289 OPCWISWADVQKOE-NSHDSACASA-N 316.365 -0.559 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)C[C@H]3CCN(C)C3)CC2=O)C1 1094809957 RTSXSBCLHOBKGK-KGLIPLIRSA-N 320.437 -0.085 30 20 DBED CNC(=O)NCC(=O)N1CC[C@@H](N(C)c2cnc(C#N)cn2)C1 1095156584 LRKWZEIBBSVUNV-LLVKDONJSA-N 317.353 -0.686 30 20 DBED CN(CCCNC(=O)[C@@H]1CCNC1=O)c1cnc(C#N)cn1 1095696754 LTMKYWAYQNZADE-NSHDSACASA-N 302.338 -0.573 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CCCN(c2nccnc2C#N)C1 1096161594 SAMCKHSEBIJGON-SNVBAGLBSA-N 302.338 -0.431 30 20 DBED C[C@H](CC(=O)N[C@@H]1CCN(c2cnc(C#N)cn2)C1)NC(N)=O 1096440019 QGTFWDQUUKQQRL-NXEZZACHSA-N 317.353 -0.510 30 20 DBED N#Cc1cnc(N[C@H]2C[C@H](NC(=O)C(=O)NCC3CC3)C2)cn1 1097056213 LAIZUKSHQQTROZ-XYPYZODXSA-N 314.349 -0.066 30 20 DBED C[C@H](CNC(=O)[C@H]1CN(C)CCO1)Nc1cncc(C#N)n1 1097769019 XTQJHTRPENCETD-ZYHUDNBSSA-N 304.354 -0.405 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(Cc2cnnn2CC)C[C@@H]1O 1099740634 HLCRXAHYLIAWIV-KBPBESRZSA-N 323.397 -0.448 30 20 DBED N#CCNC(=O)CN1CC[C@H](NC(=O)[C@@H]2C[C@@H]3C[C@@H]3C2)[C@H](O)C1 1099952491 URHHXAACWSPAAT-MQLXINIDSA-N 320.393 -0.776 30 20 DBED CN(CCNC(=O)[C@@H]1CCNC(=O)C1)c1cncc(C#N)n1 1100006686 IHBMPONBDXKIKI-SNVBAGLBSA-N 302.338 -0.573 30 20 DBED CCn1ccc(C(=O)N[C@@H]2CCN(CC#CCOC)C[C@@H]2O)n1 1100022854 SAFWCGKRKRSCNN-HIFRSBDPSA-N 320.393 -0.282 30 20 DBED CC(=O)N1CC(C(=O)NCCN(C)c2ccnc(C#N)n2)C1 1100077589 OEGBXPOKQRITDW-UHFFFAOYSA-N 302.338 -0.621 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)Cc2[nH]cnc2C)[C@H](O)C1 1100087464 MBKPKTYRSUYCOI-UKRRQHHQSA-N 320.393 -0.538 30 20 DBED COCC#CCNC1CC(CNC(=O)C[C@@H](C)NC(N)=O)C1 1100329481 FLIIPOYQUVOYJC-PNESKVBLSA-N 310.398 -0.433 30 20 DBED C=CCOCC(=O)N[C@@H]1CC2(CN(CCO)C2)n2ccnc21 1101614323 RYQUNQLRPOTDIW-GFCCVEGCSA-N 306.366 -0.350 30 20 DBED CN(CCNc1cncc(C#N)n1)C(=O)[C@@H]1CCCN1C(N)=O 1101674086 VGNHKDWOYYXCTK-NSHDSACASA-N 317.353 -0.238 30 20 DBED CN(C)CCOCC(=O)N(C)CCN=c1cc[nH]c(C#N)n1 1101694437 YSACXLMSUULKRF-UHFFFAOYSA-N 306.370 -0.781 30 20 DBED C[C@@H](CNC(=O)Cn1cnnn1)CNc1ncccc1C#N 1103852414 WVBISYQBMLBKJC-JTQLQIEISA-N 300.326 -0.196 30 20 DBED C[C@@H](CNC(=O)[C@H]1CNC(=O)N1)CNc1ccc(C#N)nn1 1104183289 DLJHEFXBFMYRMP-PSASIEDQSA-N 303.326 -0.806 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)[C@H]2CCNC(=O)C2)cn1 1105791278 SZFVIRIOQKVRQN-GXFFZTMASA-N 317.349 -0.632 30 20 DBED CCOCCOCC(=O)NC[C@@H](O)CNc1ccc(C#N)nc1 1105872655 WHZGEBKEEARYRO-AWEZNQCLSA-N 322.365 -0.105 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)COCC=C)C[C@H]1C 1105941938 RCALHRJPOSSYHL-ZIAGYGMSSA-N 307.394 -0.378 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H](O)CN=c2cc[nH]c(C#N)n2)cc1 1106035988 PZYLOCQWMWWLSY-AWEZNQCLSA-N 321.340 -0.046 30 20 DBED C=CCNC[C@@H]1CN(C(=O)[C@H](CCC(N)=O)NC(C)=O)C[C@H]1C 1106770258 ZJUIWKIOZNAIIK-BNOWGMLFSA-N 324.425 -0.373 30 20 DBED N#Cc1nccnc1NC/C=C/CNC(=O)c1c[nH]c(=O)cn1 1107490425 HFXFLMVSWQYKJJ-OWOJBTEDSA-N 311.305 -0.170 30 20 DBED CC[C@@H](NC(C)=O)C(=O)NC/C=C/CN=c1cc[nH]c(C#N)n1 1107523066 DPWHZUIOADLQCC-ZYOFXKKJSA-N 316.365 -0.231 30 20 DBED C#CCNC(=O)CN1CCO[C@](C)(CNC(=O)C2CC(C)C2)C1 1107859223 RGNCPQHEHJAFNH-MQBCKMQZSA-N 321.421 -0.011 30 20 DBED C[C@@H](CN=c1cc[nH]cc1C#N)NC(=O)C[C@H]1CCC(=O)N1 1108448639 VYXCXRPIPCJDTO-CMPLNLGQSA-N 301.350 -0.040 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCOC)C2 1108598801 NXEWULPLJZSXHC-IHRRRGAJSA-N 307.394 -0.259 30 20 DBED C[C@@H](CN(C)c1nccnc1C#N)NC(=O)[C@H]1CN(C)C(=O)N1 1109194039 MKZBMCNAMQJKHU-GXSJLCMTSA-N 317.353 -0.687 30 20 DBED C[C@@H](CN(C)c1cncc(C#N)n1)NC(=O)[C@]1(C)CCC(=O)N1 1109241994 DDLASUIBTQXHKH-BONVTDFDSA-N 316.365 -0.042 30 20 DBED CN(CCCNc1nccnc1C#N)C(=O)Cn1cnnn1 1109375185 QFBDCRJWVWDJAO-UHFFFAOYSA-N 301.314 -0.705 30 20 DBED N#Cc1c[nH]ccc1=NC1(CNC(=O)[C@@H]2CCC(=O)NC2)CC1 1110402700 ZIVFMICFIHRQDL-LLVKDONJSA-N 313.361 -0.038 30 20 DBED N#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCc1nnc(O)nc1O 1110761446 WPCRXWYHIMJMHR-IEBDPFPHSA-N 318.337 -0.540 30 20 DBED N#Cc1ccc(N2C[C@H]3C[C@@H](NC(=O)CC(N)=O)C[C@H]2C3)nn1 1111153380 JXPPZSXMWVOFAS-MVWJERBFSA-N 314.349 -0.303 30 20 DBED N#Cc1c[nH]ccc1=NC1(CNC(=O)CCNC(N)=O)CCC1 1111808553 YQLJDKWNOXOMFS-UHFFFAOYSA-N 316.365 -0.116 30 20 DBED C[C@@H]1C[C@@H](NC(=O)CNC(N)=O)CCN1c1nccnc1C#N 1112456858 DLNFARXQKUSQSC-ZJUUUORDSA-N 317.353 -0.510 30 20 DBED Cc1cnccc1C(=O)N1CCN(CC(=O)NCC#N)CC1 1112823907 UFCCGSSJUSKMGV-UHFFFAOYSA-N 301.350 -0.212 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCN(CCN2C(=O)CCC2=O)CC1 1112841729 KGPNWYSVUDMQLE-ZDUSSCGKSA-N 321.377 -0.682 30 20 DBED C#CCOCCC(=O)N1CCN(CC(=O)NCC2CC2)CC1 1112842980 HYNZIIRQBOTGQJ-UHFFFAOYSA-N 307.394 -0.303 30 20 DBED C=CCOCCN1CCN(C(=O)COCc2ncnn2C)CC1 1113486192 LEWVZYOALLBBNJ-UHFFFAOYSA-N 323.397 -0.322 30 20 DBED CO[C@H]1CCCC[C@@H]1C(=O)N1CCN(CC(=O)NCC#N)CC1 1113701821 MBQFELYMLSSGGO-KBPBESRZSA-N 322.409 -0.024 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)c3cnsn3)[C@H]2C1 1113925853 STMAEHZZPIKZEY-SVDPJWKOSA-N 321.406 -0.111 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)CNC(=O)CCC)[C@H]2C1 1113969700 ZWOMDJXLTJMEOE-RYUDHWBXSA-N 322.409 -0.749 30 20 DBED CC(=O)NCCOCCN1C[C@H]2[C@H](NC(=O)C#CC3CC3)[C@H]2C1 1114255027 ATYRVCZVHPBTJT-QLPKVWCKSA-N 319.405 -0.401 30 20 DBED C=C(C)CCC(=O)N[C@H]1[C@@H]2CN(CC(=O)NC(=O)NC)C[C@@H]21 1114349330 WVWAPMSXVYSXFB-YABSGUDNSA-N 308.382 -0.155 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)C3(C4CC4)CC3)[C@@H]2C1 1114436652 LKDMCVQZUHNQRI-CHWSQXEVSA-N 301.390 -0.028 30 20 DBED C#CCCN1C[C@H]2[C@H](NC(=O)CCN3C(=O)CCC3=O)[C@H]2C1 1114537929 LLDVOEVBCPAUQR-ATCWAGBWSA-N 303.362 -0.405 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)CCn3ccnc3)[C@@H]2C1 1114645300 XGNOYLWJPPGYSA-CHWSQXEVSA-N 317.393 -0.378 30 20 DBED C=CCCCN1C[C@H]2C(NC(=O)CC[C@H]3NC(=O)NC3=O)[C@@H]2C1 1115217545 XCNVNZLOAICGKP-IJLUTSLNSA-N 320.393 -0.013 30 20 DBED C=CCCN1C[C@H]2C(NC(=O)CNC(=O)Cn3cncn3)[C@@H]2C1 1115287823 FUCBCTYISFSLPK-VXGBXAGGSA-N 318.381 -0.983 30 20 DBED C=CCOCCN1C[C@H]2[C@H](NC(=O)c3cn(C)c(=O)n3C)[C@H]2C1 1115305591 ACMYWIDHANKTFD-IMRBUKKESA-N 320.393 -0.414 30 20 DBED C#CCOCCNC(=O)C(=O)NCC1(C(=O)NCC)CCC1 1117628265 GBMUVUVJACSUOU-UHFFFAOYSA-N 309.366 -0.825 30 20 DBED N#CC1CCN(C(=O)C(=O)N2CC[C@H](N3CCOC3=O)C2)CC1 1118505084 ZLCBCYSUBDHZLN-LBPRGKRZSA-N 320.349 -0.198 30 20 DBED C[C@H](CN(C)C(=O)[C@@H]1CCNC1=O)Nc1ccc(C#N)nn1 1120407814 JTPRPSUTUNKIDT-MWLCHTKSSA-N 302.338 -0.257 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)c2cc[n+]([O-])cc2)cn1 1121010073 KAQYRYVFLWIVKX-AWEZNQCLSA-N 313.317 -0.211 30 20 DBED Cn1cccc1C(=O)NC[C@H](CO)Nc1nccnc1C#N 1121068001 SEHYPDGGLUROEG-SNVBAGLBSA-N 300.322 -0.110 30 20 DBED Cc1nccc(C(=O)NC[C@@H](CO)N=c2cc[nH]c(C#N)n2)n1 1121659448 RDOGXKMNUAUFGU-JTQLQIEISA-N 313.321 -0.929 30 20 DBED CN1CC[C@H](CC(=O)NC[C@@H](CO)Nc2cnc(C#N)cn2)C1 1121807836 YXHXMDNLVIFYQG-YPMHNXCESA-N 318.381 -0.421 30 20 DBED N#Cc1c[nH]ccc1=N[C@H](CO)CNC(=O)c1cncnc1O 1122170661 LPUAPWXRYYFCDQ-JTQLQIEISA-N 314.305 -0.926 30 20 DBED N#Cc1cccnc1N[C@@H](CO)CNC(=O)C[C@H]1CCNC1=O 1122191423 USVBQOBPQQJUQW-ZYHUDNBSSA-N 317.349 -0.632 30 20 DBED COCC1(C(=O)NC[C@@H](CO)N=c2cc[nH]cc2C#N)CC1 1122246618 SFWJQIWKASXGEO-LBPRGKRZSA-N 304.350 -0.309 30 20 DBED CN1CC[C@@H](C(=O)NC[C@H](CO)Nc2ccc(C#N)cn2)C1=O 1122430972 RHLDRELQNVMFJJ-NEPJUHHUSA-N 317.349 -0.679 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C[C@H](O)CNc1ncc(F)cn1 1124520956 YRPPKANMUMXPPT-CMPLNLGQSA-N 310.329 -0.115 30 20 DBED CN(C[C@H](O)CNc1cncc(C#N)n1)C(=O)c1csnn1 1124627097 AEBMBGFZLBEKOY-SECBINFHSA-N 319.350 -0.255 30 20 DBED COCCN(CCNC(=O)CC(N)=O)c1ccc(C#N)cn1 1126255354 UCGIIHUBHNLQOM-UHFFFAOYSA-N 305.338 -0.602 30 20 DBED CNC(=O)CC(=O)NCCN(CCOC)c1ccc(C#N)nc1 1126308475 QXNUOQAZECCGMN-UHFFFAOYSA-N 319.365 -0.342 30 20 DBED CC#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)CCN(C)CC)C1 1129370440 UQKWTFOTYZUBLY-CABCVRRESA-N 318.425 -0.015 30 20 DBED C=C(C)CN[C@@H]1CN(C(=O)CNC(=O)NC)C[C@@H]1n1ccnn1 1129881269 CRUKQTLKPHOSTE-NEPJUHHUSA-N 321.385 -0.875 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@@H]1CCc2nccn2C1 1130478061 RNQKQGGQZGSMRV-GFCCVEGCSA-N 305.382 -0.547 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@@H](C)OCC#C)C[C@H]1c1cn(C)cn1 1130593367 YJLGHOVBLWHBJF-IJEWVQPXSA-N 314.389 -0.024 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)[C@@H](C)OCCOC)C[C@@]3(C1)O2 1131274412 WDBCIMCXPLJROO-JYYAWHABSA-N 322.405 -0.027 30 20 DBED N#Cc1ccc(CNCCNC(=O)[C@H]2CNC(=O)N2)c(F)c1 1133111805 OMFRISZBXHVKCR-GFCCVEGCSA-N 305.313 -0.415 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)C1=COCCO1 1133583037 YSXMFLXNBYSCSP-NWDGAFQWSA-N 309.366 -0.503 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCCNCCNS(=O)(=O)CC 1134054791 SERQVAAIWNEBPY-NEPJUHHUSA-N 319.427 -0.777 30 20 DBED C#CCOc1ccc(C(=O)NCCN[C@@H]2CCNC2=O)cc1 1134950583 PWPCGJHTXKKBAJ-CQSZACIVSA-N 301.346 -0.094 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1coc(CC2CC2)n1 1136036248 NOLQWFYHFMNXDB-UHFFFAOYSA-N 304.350 -0.304 30 20 DBED N#CCNC(=O)CN1CCC2(C1)CN(C(=O)CC1(O)CCC1)C2 1147483706 VNYRJVRWIPCBMT-UHFFFAOYSA-N 320.393 -0.534 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C[C@H](O)COC)CCCO1 1149385061 YIVUACZYZJWOOA-KBPBESRZSA-N 316.398 -0.597 30 20 DBED C#CCNC(=O)CN1CCCO[C@@H](CNC(=O)C#CC2CC2)C1 1149694018 GMKJYLBVCVFOKS-HNNXBMFYSA-N 317.389 -0.644 30 20 DBED C[C@@H](C#N)C(=O)NCCCNCc1nnnn1C1CCOCC1 1155842406 NGHFVJXPFUCVSY-NSHDSACASA-N 321.385 -0.220 30 20 DBED C#CCNC(=O)CC(=O)NCCCN[C@@H](CCCC)C(N)=O 1156852749 NESCYBUCQMOTQX-LBPRGKRZSA-N 310.398 -0.734 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)[C@@H]1CCN(C)C1 1156883723 VRCDPYYEWKKZJV-CHWSQXEVSA-N 309.414 -0.596 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1c(Cl)cnn1C 1158183835 XHKDRGLZPQTDCI-UHFFFAOYSA-N 311.773 -0.468 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@@H]1CC(=O)N[C@@H](CC)C1 1163079658 HCECYDKYJXASGP-STQMWFEESA-N 322.409 -0.864 30 20 DBED C=CCOCC(=O)NCCC1(CNCc2nnn(C)n2)CC1 1163799655 SMOJBCXFGZDJJD-UHFFFAOYSA-N 308.386 -0.211 30 20 DBED COCC#CCNCCCNC(=O)[C@@H]1CCc2nnnn2CC1 1167066380 YZYXCBSUMNMCAR-CYBMUJFWSA-N 320.397 -0.629 30 20 DBED CN1CC[C@@H](C(=O)NCCC2(CNCC#N)CC2)S1(=O)=O 1167431756 POBGPCFBJCMPAK-NSHDSACASA-N 314.411 -0.580 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)c1ccc(C#C)cn1 1171589631 HQLLIJAPUDPRNG-CYBMUJFWSA-N 312.373 -0.090 30 20 DBED CC#CCN[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 1182560439 BRHIIQDUNULGNN-CHWSQXEVSA-N 315.377 -0.024 30 20 DBED N#CCNC(=O)CN[C@@H]1CCN(C(=O)CCn2ccnc2)C1 1184709952 KJNXKSNXDMKQHJ-GFCCVEGCSA-N 304.354 -0.897 30 20 DBED C#CCN[C@@H]1CCN(C(=O)[C@@H](NS(C)(=O)=O)C(C)C)C1 1186193891 MGCMEGSWSJQRAC-NEPJUHHUSA-N 301.412 -0.616 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)[C@@H]2CCCS2(=O)=O)C1 1187976573 WEJKGHDAYJRFNO-OLZOCXBDSA-N 314.407 -0.596 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@H](N(C)CC(=O)NC(=O)NC)C1 1190095950 WSNJBPLSECDWBD-NEPJUHHUSA-N 324.381 -0.987 30 20 DBED C=CCN(C)[C@@H]1CCN(C(=O)CN(C)S(=O)(=O)N(C)C)C1 1190137373 OTZWDKIHQVRBIN-GFCCVEGCSA-N 318.443 -0.557 30 20 DBED CC(C)[C@@H](C(=O)N1CC[C@@H](N(C)CC(=O)NCC#N)C1)N(C)C 1190775994 LNUNLTJXHUJVKV-HIFRSBDPSA-N 323.441 -0.255 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)c2ccon2)C1 1191362137 SKNYXRQLAMGIAR-MVWJERBFSA-N 308.338 -0.860 30 20 DBED COc1cccc(CN2C[C@@H](O)[C@H](NC(=O)[C@@H](C)C#N)C2)n1 1191854608 OVPZFVYPZOKFJB-CYZMBNFOSA-N 304.350 -0.089 30 20 DBED C=CCCN(C)[C@@H]1CCN(C(=O)CN2C(=O)CN(C)C2=O)C1 1193905571 JVLHXTXPLRPJDW-GFCCVEGCSA-N 308.382 -0.011 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H](C)C2CCC2)C1 1194023733 NTPOWVGGTNIUTM-MRVWCRGKSA-N 307.394 -0.667 30 20 DBED C#CCN(C)[C@@H]1CCN(C(=O)CCNC(=O)[C@H]2CCCO2)C1 1194494317 REFCPDPYDAFOKV-ZIAGYGMSSA-N 307.394 -0.162 30 20 DBED CC(C)(C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1O)C1CCC1 1195050587 SKLMEIYHKADRBO-CHWSQXEVSA-N 322.409 -0.386 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)c2cnc(C)n2C)C1 1195602426 RMKVAMGDPXBICM-TZMCWYRMSA-N 308.382 -0.294 30 20 DBED COCC#CCN1CCCN(C(=O)c2cncnc2O)CC1 1196242123 BZHMLKUYXLWOSF-UHFFFAOYSA-N 304.350 -0.020 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)[C@@H](CCC)NC(N)=O)C1 1198142605 JTWRLQPHJROPPD-GMTAPVOTSA-N 318.805 -0.263 30 20 DBED CC(C)(C)c1noc(CCC(=O)N[C@@H]2CN(CC#N)C[C@H]2O)n1 1198638101 JSIBXNCEBJPXJV-GHMZBOCLSA-N 321.381 -0.015 30 20 DBED N#CCNC[C@H]1CN(C(=O)[C@@H]2CCCc3nn[nH]c32)CCCO1 1201262092 SWCHSOVOCNLQFP-NWDGAFQWSA-N 318.381 -0.045 30 20 DBED CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CCCO[C@H](CNCC#N)C1 1201411454 QYJDJLFUGZBCRB-UPJWGTAASA-N 308.382 -0.559 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)Cn2cccn2)C1 1207298290 MNFLYVPVXXRLQH-CYBMUJFWSA-N 303.366 -0.787 30 20 DBED CCn1ccnc1C(=O)N1CCC[C@@H](NCC(=O)NCC#N)C1 1207919500 CAVYMGZWRGFPQT-GFCCVEGCSA-N 318.381 -0.263 30 20 DBED COCC#CCN1C[C@@H](NC(=O)c2cc(C(N)=O)c[nH]2)[C@H](C)C1 1209740632 IHZXIZNRKVBTOY-BXUZGUMPSA-N 318.377 -0.187 30 20 DBED COC[C@@H](C)CC(=O)N1CCC[C@@H](NCC(=O)NCC#N)C1 1210402577 KGGHIFRZQCEBQU-QWHCGFSZSA-N 310.398 -0.121 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)C[C@@H]2CCCOC2)[C@H](C)C1 1211059855 FNRSOSQISWBWQT-QLFBSQMISA-N 321.421 -0.011 30 20 DBED C=CCOCCN1C[C@@H](NC(=O)c2cnn(C)c2N)[C@H](OC)C1 1212146210 LUHDZDNIYVNLAC-CHWSQXEVSA-N 323.397 -0.366 30 20 DBED C=CCOCCN1C[C@@H](NC(=O)CCc2cnn[nH]2)[C@H](OC)C1 1213466489 REMNYQBZFVHIFD-ZIAGYGMSSA-N 323.397 -0.245 30 20 DBED C=CCOCCN[C@@H]1CN(C(=O)CCNC(=O)NC)C[C@H]1C 1214564145 LDIWAIFRICCEEP-CHWSQXEVSA-N 312.414 -0.055 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C[C@H]1C 1215554398 OGHISMIASLATDT-APIJFGDWSA-N 321.421 -0.203 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1ccco1 1217196132 HGVFZESLILHQQP-GXTWGEPZSA-N 317.345 -0.446 30 20 DBED COCC#CCN1CC[C@@H]2CN(C(=O)[C@H]3CC(=O)N(C)C3)[C@@H]2C1 1221587044 XADBKEFQQYPSNS-QLFBSQMISA-N 319.405 -0.353 30 20 DBED C[C@@H](C#N)C(=O)NCC1CCN(CCN2CCNC2=O)CC1 1222657649 BKSPIKCIBYNXMA-LBPRGKRZSA-N 307.398 -0.001 30 20 DBED C#CCCN1CCC(CNC(=O)CN2C(=O)CCC2=O)CC1 1225371832 DGXAMBRWEISYDZ-UHFFFAOYSA-N 305.378 -0.013 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCNC1=O 1227940826 NUDJSAVWGSIYHL-YNEHKIRRSA-N 322.409 -0.558 30 20 DBED N#CCN1CCS(=O)(=O)[C@H](CCNC(=O)c2cccnn2)C1 1230512205 KTCJEKJKDHHHST-LLVKDONJSA-N 323.378 -0.781 30 20 DBED N#Cc1cc(F)ccc1NC(=O)C(=O)NCCOCC(N)=O 1255525672 POTKCEVGDTYYLV-UHFFFAOYSA-N 308.269 -0.746 30 20 DBED C#CCSCCNC(=O)C(=O)N[C@@H](COC)[C@@H]1CCCO1 1261092849 QXBWVXZSASWNFZ-RYUDHWBXSA-N 314.407 -0.221 30 20 DBED COCCCNC(=O)[C@H](C#N)C(=O)c1cccn2c(O)nnc12 1263292776 SBZAKBDCETXHOG-SNVBAGLBSA-N 317.305 -0.090 30 20 DBED CS[C@@H](CO)[C@H](C)NC(=O)C(=O)Nc1cnn(CC#N)c1 1319347189 JGKJDZBKCDYENS-WPRPVWTQSA-N 311.367 -0.426 30 20 DBED COCn1nc(C)c(S(=O)(=O)NCC(=O)NCC#N)c1C 1321845926 ZYMNZYOOSPOSMM-UHFFFAOYSA-N 315.355 -0.978 30 20 DBED COCc1cnc(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)s1 1322979018 NVUMNRZGPQLRNZ-QMMMGPOBSA-N 310.335 -0.021 30 20 DBED CCOC1CCN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)CC1 1326493025 DITWIFDALPTTJA-OAHLLOKOSA-N 309.366 -0.109 30 20 DBED CC(C)N[C@H]1CCCN(C(=O)C(=O)N2CCO[C@@H](C#N)C2)C1 1327133137 DEXKREBWQIJXGU-STQMWFEESA-N 308.382 -0.274 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)NCC(=O)N1CCCCC1 1328825577 XXKIKBBKVCVSTA-UHFFFAOYSA-N 323.393 -0.387 30 20 DBED C=CCn1cc(CNC(=O)C(=O)NCCn2ccnc2C)nn1 1329197383 KNLLNMBHRFRKEH-UHFFFAOYSA-N 317.353 -0.598 30 20 DBED C[C@H](O)CN1CCN(C(=O)C(=O)N2CCC[C@@](C)(C#N)C2)CC1 1331141452 RKLGUURFZFQEAZ-BBRMVZONSA-N 322.409 -0.336 30 20 DBED CCC(=O)N1CC[C@@H](NC(=O)C(=O)N2CCC[C@H](C#N)C2)C1 1333016027 YYZITUJIPQFIAC-VXGBXAGGSA-N 306.366 -0.124 30 20 DBED C=CCS(=O)(=O)CCNC(=O)[C@H]1CN2CCN1C[C@H]2C 1348223248 SAOZONCBUNYNKB-VXGBXAGGSA-N 301.412 -0.908 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)NCc1nnc(C)n1C 1349209711 KFLSRNJCZJROEN-LLVKDONJSA-N 307.354 -0.716 30 20 DBED N#Cc1cn(CC(=O)N2CCC[C@@H](CCO)C2)c(=O)nc1O 1362268379 SAKCWFAEKKLHDZ-JTQLQIEISA-N 306.322 -0.558 30 20 DBED C[C@@H]1CN(C(=O)Cn2cc(C#N)c(O)nc2=O)C[C@@H](C2CC2)O1 1362603027 DEFHNXQSAIIWFM-SKDRFNHKSA-N 318.333 -0.154 30 20 DBED CN(C[C@H]1CCCN1C)C(=O)CCn1cc(C#N)c(O)nc1=O 1362911213 KZAIRGNAGAEIKF-GFCCVEGCSA-N 319.365 -0.237 30 20 DBED C=C(Cl)CN1CCN(CCNC(=O)Cn2cncn2)CC1 1365962431 BNJHRZOTYQLXIZ-UHFFFAOYSA-N 312.805 -0.236 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@@H]1CCN(C(=O)c2nccnc2N)C1 1372082340 WPTAKHXIBNDCDH-VHSXEESVSA-N 302.338 -0.109 30 20 DBED COCCn1cc(C(=O)N(C)C[C@H](C)NC(=O)[C@H](C)C#N)nn1 1381995772 YUJULROVQPXXHJ-MNOVXSKESA-N 322.369 -0.339 30 20 DBED C[C@H](C#N)C(=O)NCCN(C)C(=O)[C@@H]1CCCS(=O)(=O)C1 1387084113 XQIMNTKOQJFQOK-GHMZBOCLSA-N 315.395 -0.455 30 20 DBED C[C@@H](C#N)C(=O)NCCC1CCN(Cc2nc(=O)n(C)[nH]2)CC1 1405565703 OSPFNXLUAKGZKR-NSHDSACASA-N 320.397 -0.014 30 20 DBED CN(CCN(C)C(=O)c1cc(C#N)c[nH]1)Cc1nc(=O)n(C)[nH]1 1406085730 VXJYYVVJOPGNKL-UHFFFAOYSA-N 317.353 -0.488 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNCC(=O)NCc1ccccc1 1420111490 OKCXJHRUYDKDRR-TZMCWYRMSA-N 318.377 -0.471 30 20 DBED CC(C)Cc1noc(CNC[C@H](O)CNC(=O)[C@@H](C)C#N)n1 1422267380 RMVVFJHKZSXQIM-QWRGUYRKSA-N 309.370 -0.006 30 20 DBED COC(=O)C1(C#N)CCN(S(=O)(=O)c2nncn2C)CC1 1424033739 PVZTTXPJLZXLPO-UHFFFAOYSA-N 313.339 -0.717 30 20 DBED C[C@@H](C#N)C(=O)N1CCCO[C@H](CNC(=O)CCCC(N)=O)C1 1426311746 NHCNAQGLZOTNMK-NWDGAFQWSA-N 324.381 -0.465 30 20 DBED CC(=O)N(C)CC(=O)NC[C@@H](C)CNC(=O)c1cc(C#N)c[nH]1 1430968041 PQBHTSYASMSCCK-SNVBAGLBSA-N 319.365 -0.153 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](NC(=O)C1(NC(N)=O)CC1)C(C)(C)C 1452068890 ZMUKWLZCTBLMTM-NXEZZACHSA-N 323.397 -0.006 30 20 DBED CCc1noc(C)c1C(=O)NC[C@H](O)CNC(=O)[C@H](C)C#N 1452351145 LBXORTONFIQPOA-PSASIEDQSA-N 308.338 -0.088 30 20 DBED CCc1c(C(=O)NC[C@H](O)CNC(=O)[C@H](C)C#N)cnn1C 1452394325 NIPRLEANBGKZQY-NXEZZACHSA-N 307.354 -0.651 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)c2ccoc2CC(N)=O)CC1 1453536681 HWESPBIGBBTINN-VIFPVBQESA-N 318.333 -0.154 30 20 DBED Cc1cc(C(=O)NC[C@H](C)NC(=O)[C@@H](C)C#N)ncc1C(N)=O 1454793757 CEIGOCNQIJKGRU-UWVGGRQHSA-N 317.349 -0.117 30 20 DBED C[C@H](C#N)C(=O)N(C)CCNC(=O)[C@@H]1CCCCN1C(N)=O 1455481480 JEAOUBRDKFIAIZ-MNOVXSKESA-N 309.370 -0.346 30 20 DBED CCN(CCC#N)C(=O)CN[C@H](C)CNC(=O)c1[nH]nnc1C 1480514377 GGJSWJXVHJOYHD-SNVBAGLBSA-N 321.385 -0.417 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2cnc(OC)nc2)C1 1480622561 BIGOZBJZCWCURO-LBPRGKRZSA-N 317.349 -0.961 30 20 DBED C=C(Cl)CN1CC[C@](O)(CNC(=O)CCn2cnnn2)C1 1484242964 OELKKGGLVPHOSI-LBPRGKRZSA-N 314.777 -0.631 30 20 DBED CC(=O)CCCC(=O)NC[C@@H](O)CNC(=O)c1c[nH]c(C#N)c1 1533175361 OIEQVXVXGGTYLF-CYBMUJFWSA-N 320.349 -0.147 30 20 DBED N#CCNC(=O)CN[C@H]1CCN(C(=O)c2ccnc(O)c2)C1 1567092969 KZPKQWLNRJPWHT-NSHDSACASA-N 303.322 -0.769 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](Nc2cnc(-c3nn[nH]n3)cn2)C1 1573570046 IWLIVXNIYVQEQQ-BDAKNGLRSA-N 313.325 -0.171 30 20 DBED C=CCn1c([C@@H]2COCCN2)nnc1N1CCC[C@H](C(N)=O)C1 1574955301 XLPOGAMMWKDGJH-RYUDHWBXSA-N 320.397 -0.173 30 20 DBED COCC#CCN[C@H]1CCN(C(=O)CCCc2cnn[nH]2)C1 1576952276 GAFDUAYHMSKBGH-AWEZNQCLSA-N 305.382 -0.032 30 20 DBED N#CCN(Cc1cnn[nH]1)C(=O)C1CC2(C1)CS(=O)(=O)C2 1577706294 BEVPFPABVSTHAF-UHFFFAOYSA-N 309.351 -0.518 30 20 DBED N#Cc1cncc(CNC(=O)[C@H]2CCCN(CCN)C2=O)c1 1580081907 UOAPLTDMSWJYNS-CYBMUJFWSA-N 301.350 -0.233 30 20 DBED C=CCOCCCC(=O)NCCn1cnc(-c2nn[nH]n2)n1 1588681962 JKIOUERKMQJIJN-UHFFFAOYSA-N 306.330 -0.443 30 20 DBED N#CCN1C[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)[C@@H]2C1 1592677237 ABZJIHXBFCGOIH-JOYOIKCWSA-N 312.337 -0.135 30 20 DBED COC(=O)[C@H](C)CS(=O)(=O)N1CCC(C#N)(C(=O)O)CC1 1598688536 QVVMAOKRXFVIGW-SECBINFHSA-N 318.351 -0.184 30 20 DBED Cn1c(O)c(C(=O)/C=C/c2c[nH]c(C(=O)O)c2)c(=O)n(C)c1=O 1600922072 VKRGKTIOZCLCFH-ONEGZZNKSA-N 319.273 -0.288 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)c2coc(OC)n2)C1 1713084784 AINZDTHRLGWJEQ-JTQLQIEISA-N 308.338 -0.211 30 20 DBED C#CCOCCC(=O)N[C@H]1CCN([C@@H](C)C(=O)NC(=O)NC)C1 1713950083 YVDBPZMPDYUAJV-RYUDHWBXSA-N 324.381 -0.939 30 20 DBED C#CCNC(=O)CNC[C@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 1714087467 YYQVTLUIGMUFEW-CABCVRRESA-N 322.453 -0.096 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)[C@@H]2CCCN2C(N)=O)C1 1752414440 OGIGVMQSGQQHLG-OLZOCXBDSA-N 310.398 -0.077 30 20 DBED C[C@H](CNC(=O)c1cnc2n1CCCC2)NCC(=O)NCC#N 1752895858 WTJRLUPBNLITCL-LLVKDONJSA-N 318.381 -0.433 30 20 DBED C=CCNC(=O)CNC[C@H]1CCN(C(=O)c2csnn2)C1 1752946701 ZRCKMORRCNNSDX-SNVBAGLBSA-N 309.395 -0.108 30 20 DBED C#CCNC[C@@H](C)N(C)C(=O)CS(=O)(=O)NC(C)(C)C 1753726820 RRMBTOBBKLUSGY-LLVKDONJSA-N 303.428 -0.226 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)CNC(=O)CC)C[C@@H]1C 1753771392 YUGJUQXNMCRFCS-QWHCGFSZSA-N 324.425 -0.359 30 20 DBED C=CCNC(=O)CNCC[C@@H](C)NC(=O)[C@]1(C)CCC(=O)N1 1753997591 ZFUYTUHKYJKFHJ-ABAIWWIYSA-N 310.398 -0.558 30 20 DBED C#CCNC(=O)CNCCN(CC)C(=O)[C@H](C)n1cncn1 1754048808 LVMCRMUIHVCAPY-LBPRGKRZSA-N 306.370 -0.973 30 20 DBED C#CCO[C@H](C)C(=O)N[C@]1(C)CCN(CCn2cncn2)C1 1754670020 KHRZOEIURHCLEJ-UKRRQHHQSA-N 305.382 -0.103 30 20 DBED C#CCNC(=O)CNC[C@@]1(C)CCN(C(=O)[C@@H](CC)OC)C1 1754689443 LYSMLTUVULJYLV-CZUORRHYSA-N 309.410 -0.011 30 20 DBED C=CCOCCN1C[C@H]2C[C@H](NC(=O)Cn3ncnn3)C[C@H]1C2 1754780701 GIZCSEQLFFXFDE-MELADBBJSA-N 320.397 -0.155 30 20 DBED C#CCOCCC(=O)N1CCO[C@@H](CN[C@@H](CC)C(N)=O)C1 1755002451 RDPRRMVACAQMMK-STQMWFEESA-N 311.382 -0.893 30 20 DBED C#CCNC(=O)[C@H](C)N(C)C[C@H]1CCCN1C(=O)c1cnon1 1755208754 AJWINSVVSROCJW-NWDGAFQWSA-N 319.365 -0.256 30 20 DBED C=C[C@](C)(O)CC(=O)NC1(CCO)CN(Cc2nonc2C)C1 1755331431 KROLPVJYUHLJPL-AWEZNQCLSA-N 324.381 -0.242 30 20 DBED CNC(=O)NCCC(=O)N1CC[C@]2(CN(CC#N)CCO2)C1 1755400402 GCUUSCNMPRHTGB-AWEZNQCLSA-N 309.370 -0.868 30 20 DBED C=CCCC(=O)N1CCO[C@H]([C@H](C)NCc2nnnn2C)C1 1755438184 GZPLSRGVVCNYBV-RYUDHWBXSA-N 308.386 -0.118 30 20 DBED CC#CCN[C@@H](CO)CNC(=O)CN1CCCCCCC1=O 1755630584 MUYRKERILBFBPR-CQSZACIVSA-N 309.410 -0.131 30 20 DBED CNC(=O)NCC(=O)N[C@H](C)CN(C)C(=O)CSCC#N 1756431574 JGLMVUKJJZHQPK-SECBINFHSA-N 315.399 -0.865 30 20 DBED C=C[C@](C)(O)CC(=O)N(C)C[C@@H](C)NC(=O)Cc1n[nH]c(C)n1 1756447496 BGUKLMGCAJMOKW-BMIGLBTASA-N 323.397 -0.054 30 20 DBED CCNC(=O)CCCC(=O)N[C@@H](CO)CNC(=O)C#CC1CC1 1756519701 OBPRRRMNZUATPG-CYBMUJFWSA-N 323.393 -0.701 30 20 DBED C=CCCC(=O)N[C@@H]1C[C@@H](C)N(C(=O)Cn2c(O)nnc2O)C1 1756596757 BALOXXUFDDNPIQ-NXEZZACHSA-N 323.353 -0.239 30 20 DBED COCCN(CCNC(=O)[C@@H]1CCC(=O)N1)C(=O)C#CC(C)C 1756727942 KNGSNUZPCMWDAP-ZDUSSCGKSA-N 323.393 -0.484 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C#CC2CC2)C1 1756995939 RTCZRFIVXJYSTC-TUVASFSCSA-N 318.373 -0.321 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)CNC(C)(C)C)CCO2 1783049852 WXJWSKKZEAWRHX-INIZCTEOSA-N 307.394 -0.162 30 20 DBED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCOCC)CCO2 1840524419 KGRHHVIMUFMZHQ-MRXNPFEDSA-N 324.377 -0.497 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)C2CCS(=O)(=O)CC2)CCO1 113199122 CQOKDJXOOWAWEJ-SECBINFHSA-N 308.381 -0.882 30 20 DBED C[C@@H](NS(=O)(=O)c1ccc(C#N)nc1)[C@H]1CN(C)CCO1 125789290 YQKGXHDQRHIJJL-ZWNOBZJWSA-N 310.379 -0.049 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2OCC[C@H]2C)CC1 133089559 GQRJGICHUMDRAO-HIFRSBDPSA-N 307.394 -0.305 30 20 DBED CCN(CCn1cnc2c1c(=O)n(C)c(=O)n2C)C[C@@H](C)C#N 155267096 LHBHRBKZPSIZJO-NSHDSACASA-N 318.381 -0.085 30 20 DBED C#CCCCOC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 170712431 PBPBITXPCMVJGT-UHFFFAOYSA-N 304.306 -0.610 30 20 DBED COC(=O)[C@@H](O)CNS(=O)(=O)c1cccc(F)c1C#N 226551779 PVHHYDKBWVTAQY-VIFPVBQESA-N 302.283 -0.490 30 20 DBED CC#CCNC(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1 270765278 PRFIIIHQKMVQIW-CQSZACIVSA-N 307.394 -0.161 30 20 DBED C=CCNC(=O)CNC(=O)NC1CCN([C@H]2CCC[C@@H]2O)CC1 271937304 ASAVDICVYURBOS-KBPBESRZSA-N 324.425 -0.034 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2CCCO2)C1=O 283343008 SSHCWALQESMGSU-RYUDHWBXSA-N 309.366 -0.473 30 20 DBED C=CCCOCCNC(=O)C(=O)N(CC)CCS(C)(=O)=O 289395747 MLMFVBNXNRYEKQ-UHFFFAOYSA-N 320.411 -0.412 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@H]3NCC[C@@H]3C2)C1=O 293447022 PFHHYVOWXGJYRX-GHMZBOCLSA-N 320.349 -0.826 30 20 DBED C#CCOc1cccc(NC(=O)C(=O)N[C@@H](C)C(=O)NC)c1 293498243 WGZQJXUUSMQYIS-JTQLQIEISA-N 303.318 -0.112 30 20 DBED C[C@H](CN1CCN(C)CC1)/N=C(/O)N1CC(=O)N(C)[C@H](C)C1 328694142 CTFYPMKHPDUZSU-CHWSQXEVSA-N 311.430 -0.301 30 20 DBED CN1C[C@@H](N/C(O)=N/C[C@H]2CCCN2S(C)(=O)=O)CC1=O 328791225 LXTICDCAWYHANH-VHSXEESVSA-N 318.399 -0.855 30 20 DBED CO[C@@H]1C[C@@H](c2nncn2C)N(/C(O)=N/[C@H]2CC(=O)N(C)C2)C1 329059227 NARUNXXYAFZNTF-AXFHLTTASA-N 322.369 -0.278 30 20 DBED CC(=O)N1CC(/N=C(/O)c2cnc3c(c2)c(O)nc(=O)n3C)C1 329932109 AXOYBLZGINALBA-UHFFFAOYSA-N 317.305 -0.431 30 20 DBED CS(=O)(=O)N1CCC[C@@H](N/C(O)=N/[C@@H]2C=C[C@H](CO)C2)C1 330079876 JAFWLYFEDALYLT-QJPTWQEYSA-N 317.411 -0.149 30 20 DBED COC(=O)[C@@H]1CN(/C(O)=N/C[C@H](C)N2CCOCC2)CCO1 330592030 RKPYTDVGCQUNAR-RYUDHWBXSA-N 315.370 -0.505 30 20 DBED C[C@H](CN1CCOCC1)N(C)S(=O)(=O)N(C)CCC#N 331197152 NWOKTCOZCSJEHA-GFCCVEGCSA-N 304.416 -0.271 30 20 DBED C[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CC(O)(CC#N)C1 331858317 JXEKLLUYVITJGC-NSHDSACASA-N 323.374 -0.160 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N1C[C@@H](O)C[C@@H]1C(=O)OC 337055827 CAGCZLKAQSGYJJ-OUAUKWLOSA-N 319.383 -0.679 30 20 DBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[C@@H](O)C1 339722200 ZZHTUJAHEAIGKG-CMPLNLGQSA-N 323.374 -0.182 30 20 DBED COC(=O)[C@H]1CNC(=O)CN1C(=O)COc1ccc(C#N)cc1 344815454 BGZTZMKQPUJGFG-GFCCVEGCSA-N 317.301 -0.563 30 20 DBED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc2c(c1)ncn2C 347232987 OETKVBBNVDKIEI-UHFFFAOYSA-N 315.333 -0.070 30 20 DBED C=CCN(CCOC)C(=O)C(=O)NCC1([S@@](C)=O)CC1 350835198 VSDVAILADWQEQJ-HXUWFJFHSA-N 302.396 -0.325 30 20 DBED CC[C@H](C)NS(=O)(=O)CCCS(=O)(=O)N(C)CC#N 356877354 PIWIGRRDTTUPBE-JTQLQIEISA-N 311.429 -0.120 30 20 DBED C[C@@H](C#N)CN(C)C(=O)C(=O)N1CCN(CC(C)(C)O)C[C@H]1C 410939062 QOUDRWNDCWQFJX-QWHCGFSZSA-N 324.425 -0.092 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@@H](CC)C(=O)OC)CC1 491155477 ROCHEVCLJIQUIM-GFCCVEGCSA-N 309.366 -0.921 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2cn3c(n2)CCC3)CC1 491767492 HFQWBJUEEAASFE-UHFFFAOYSA-N 315.377 -0.664 30 20 DBED CCN1CCN(C(=O)CNC(=O)c2ccc(C#N)cn2)CC1 557101946 TWDGGZRURXPWJH-UHFFFAOYSA-N 301.350 -0.153 30 20 DBED COC[C@H](C)NC(=O)NC(=O)Cn1cc(C)cc(C#N)c1=O 580325958 FUXIDFHMYYVLPO-JTQLQIEISA-N 306.322 -0.111 30 20 DBED Cn1c(N2[C@H]3CC[C@H]2[C@@H](C(=O)O)C3)c(C#N)c(=O)n(C)c1=O 595975181 MYZZWCUNLFBTGT-NRPADANISA-N 304.306 -0.602 30 20 DBED N#Cc1cnnc(N2CCN(C(=O)C(=O)NC3CC3)CC2)c1 596079921 ABOSHEJXDSDWED-UHFFFAOYSA-N 300.322 -0.725 30 20 DBED COCCN(CCC#N)S(=O)(=O)c1cc(C(N)=O)n(C)c1 609138483 AUAXKZYGIBVKSL-UHFFFAOYSA-N 314.367 -0.325 30 20 DBED COCCCS(=O)(=O)NCC(=O)N[C@@]1(C#N)CCSC1 610912962 SQYNCEONYTZJFP-LLVKDONJSA-N 321.424 -0.542 30 20 DBED COC(=O)[C@@H]1C[C@H](F)CN1c1c(C#N)c(=O)n(C)c(=O)n1C 619503754 ILIMAYBPFDENQJ-CBAPKCEASA-N 310.285 -0.955 30 20 DBED CC#CCNCc1cn(C[C@@H](O)COC[C@H]2CCCO2)nn1 641193681 RSMPDCGQSDEKPV-HUUCEWRRSA-N 308.382 -0.053 30 20 DBED C=CCN1CC[C@@H](N2CCN(S(=O)(=O)N(C)C)CC2)C1=O 685000489 KWFYMSHVVBWJNG-GFCCVEGCSA-N 316.427 -0.803 30 20 DBED C=CCC1(O)CN(C(=O)[C@H]2CCCCN2S(C)(=O)=O)C1 720881813 UUGCVMRQAXMJIQ-LLVKDONJSA-N 302.396 -0.050 30 20 DBED N#CCN(CC(=O)O)C(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O 739077138 IUQUREATPLRQMM-AOOOYVTPSA-N 307.306 -0.402 30 20 DBED C#CCNC(=O)CN1CCN(c2nccn3cnnc23)[C@@H](C)C1 749449530 OICXYTVTMFZPDO-LBPRGKRZSA-N 313.365 -0.616 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2ccc(C)cn2)CC1 753069957 HZDNEMUQGOBRSR-UHFFFAOYSA-N 300.362 -0.103 30 20 DBED C#CCNS(=O)(=O)c1cccc(C(=O)O[C@@H]2CNC(=O)C2)c1 770828905 BPQXYODKEZPMSG-NSHDSACASA-N 322.342 -0.357 30 20 DBED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(N)=O)c1 779171330 RUSGTNCEHXYNQQ-LFIBNONCSA-N 324.362 -0.077 30 20 DBED Cc1nnc(S[C@@H](C)C(=O)NC2(C#N)CCC2)n(N)c1=O 786708423 OLSGDKVRWAABBB-QMMMGPOBSA-N 308.367 -0.296 30 20 DBED N#CCCCCNC(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 804057243 VXIQSNPBQTWSJE-QWHCGFSZSA-N 308.382 -0.224 30 20 DBED C#CCNS(=O)(=O)N1CCN(Cc2cccnc2C)CC1 809968035 KTJYBDOBRCULPU-UHFFFAOYSA-N 308.407 -0.025 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)c2cn(C)c(O)n2)CC1 826550796 WAIUJZCIVIIHMK-UHFFFAOYSA-N 319.365 -0.977 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N1CCO[C@@H](COC)C1 850709667 CNROOTBUMAETRY-CYBMUJFWSA-N 312.366 -0.642 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCn3ccnc32)C1=O 857911326 DJXZMOJRJUZQEO-UHFFFAOYSA-N 303.278 -0.794 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)Nc1ccnc(OC)n1 862192448 FFRYXQLEELIKCT-JTQLQIEISA-N 306.322 -0.032 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N[C@H]1CCn2ccnc2C1 875337556 UQYUFBCACBUUCM-STQMWFEESA-N 318.377 -0.141 30 20 DBED C#CCN1CCC[C@H](NS(=O)(=O)CCCC(=O)OC)C1 885511215 CTNGBPYBYOLCFW-LBPRGKRZSA-N 302.396 -0.043 30 20 DBED C#CC1(O)CN(C(=O)CNS(=O)(=O)c2ccc(C)cc2)C1 890519308 GNMIILLFLUZLHF-UHFFFAOYSA-N 308.359 -0.520 30 20 DBED CN(C)CC#CCNC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C 913519692 KZRGNRZGEAJBPG-LLVKDONJSA-N 303.428 -0.369 30 20 DBED CC(=O)NCC(=O)NCC(=O)OCCOc1ccccc1C#N 918770008 DMGUEYIRCIWNIO-UHFFFAOYSA-N 319.317 -0.267 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CCN(C(=O)C3(C(N)=O)CC3)C2)c[nH]1 940099166 UGAFDRYFFOSFDA-SNVBAGLBSA-N 315.333 -0.517 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@H](CNC(=O)c2ccn(C)n2)C1 944600584 KSBNEBLRUZAHTD-GHMZBOCLSA-N 305.338 -0.463 30 20 DBED C#CCN1CCOC2(CCN(C(=O)[C@H]3COCCO3)CC2)C1 949304764 JNHBDDPWVOVHNA-CQSZACIVSA-N 308.378 -0.272 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]1CNC(=O)c1ccc(C(N)=O)cn1 950811786 YQZPAMXLTCBJOF-MWLCHTKSSA-N 315.333 -0.329 30 20 DBED C=CCN1C[C@H](CNC(=O)c2cccc(C(N)=O)c2)[C@@H](O)C1 958190434 GWGIQVZXKOMQHV-KBPBESRZSA-N 303.362 -0.006 30 20 DBED CC#CCN1C[C@H](O)[C@H](CNC(=O)c2cn(C)ccc2=O)C1 958249117 RWYODMQYFNIOEJ-DOMZBBRYSA-N 303.362 -0.569 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cn2cccn2)C1 958509688 HVHHQUJONRSPJM-SRVKXCTJSA-N 305.338 -0.927 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)Cc2cccnc2)C1 962301104 MTUYPUKZRYDKIN-RTXFEEFZSA-N 302.334 -0.528 30 20 DBED COc1ncnc(OC)c1C(=O)NC1[C@H]2CN(CC#N)C[C@H]12 963072954 VDOVBLDMXWLIQA-IUCAKERBSA-N 303.322 -0.323 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H]2CCCN(C(=O)CC(N)=O)CC2)c1 964816671 WNTAWHKWBHLRNU-NSHDSACASA-N 317.349 -0.127 30 20 DBED Cc1c[nH]c(C(=O)N2CCOC3(C2)CN(C(=O)[C@H](C)C#N)C3)n1 965393188 QCPSLNMOLPCXLT-SNVBAGLBSA-N 317.349 -0.069 30 20 DBED CCN(C(=O)[C@@H]1CCNC(=O)C1)C1CN(C(=O)[C@@H](C)C#N)C1 967871459 RXXMAYNGRNHBNC-WDEREUQCSA-N 306.366 -0.268 30 20 DBED CCN(C(=O)[C@H]1CCC(=O)NC1)C1CN(C(=O)[C@@H](C)C#N)C1 968134466 YXQIWDBGGHUATJ-QWRGUYRKSA-N 306.366 -0.268 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@]2(CN(Cc3cnnn3C)CCO2)C1 972296886 FMAVUTUNDSNRQM-SWLSCSKDSA-N 318.381 -0.222 30 20 DBED C=C(C)CN1CCO[C@]2(CCN(C(=O)Cn3ncnn3)C2)C1 972380063 CNIZRUQHCZXXFH-CQSZACIVSA-N 306.370 -0.448 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)Cc3cncn3C)[C@H]2C1 976860178 CUFXBQTVXHPMCP-WUWHUORYSA-N 301.350 -0.305 30 20 DBED C=C(C)CN[C@@H]1C[C@@H](C)N(C(=O)Cn2cnc(C(N)=O)n2)C1 988850859 APIXBQWCWMWEBH-GHMZBOCLSA-N 306.370 -0.468 30 20 DBED C[C@H]1C[C@@H](NCC#N)CN1C(=O)CCn1cc[nH]c(=O)c1=O 989561513 FFIQFKKFUXMKIQ-WDEREUQCSA-N 305.338 -0.971 30 20 DBED C#Cc1ccc(C(=O)N2CC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)nc1 991298423 NVZZTTGGIBBCPN-DGCLKSJQSA-N 314.301 -0.331 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@@H](NC(=O)c2cnn[nH]2)[C@H](O)C1 991604811 TZOIFLQVQFFLSZ-MWLCHTKSSA-N 307.354 -0.292 30 20 DBED CC1(C)CN(C(=O)[C@@H]2CCc3nnnn3CC2)C[C@H]1NCC#N 996335013 SSSABUAUWAIVIK-VXGBXAGGSA-N 317.397 -0.024 30 20 DBED C=C1CC(C)(C(=O)NC2CN(C(=O)C3CS(=O)(=O)C3)C2)C1 999283684 JBRPTOGOSFMTLV-UHFFFAOYSA-N 312.391 -0.286 30 20 DBED C[C@@H](C#N)C(=O)N1CCNC(=O)CCN(C(=O)C2CC2)CC1 1001709282 WQHIQYHQRNPRCZ-NSHDSACASA-N 306.366 -0.267 30 20 DBED CC#CCN1CCC(NC(=O)[C@@H]2Cc3cncn3C(=O)N2)CC1 1003371898 ZCYJWSVIDGCMQM-AWEZNQCLSA-N 315.377 -0.031 30 20 DBED C#CCCN1CCC[C@H](NC(=O)CN2CCCS2(=O)=O)C1 1007466164 WPNHRGUIYXCEOT-ZDUSSCGKSA-N 313.423 -0.374 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](NC(=O)Cn2cnnn2)C(C)(C)C1 1007848283 DYZGLONSJLFWJT-UWVGGRQHSA-N 305.342 -0.814 30 20 DBED N#CCN1CCC[C@H](NC(=O)Cn2nc3n(c2=O)CCCC3)C1 1009124026 QVADLKCZFITQNP-LBPRGKRZSA-N 318.381 -0.515 30 20 DBED C=CCn1cc(C(=O)NCC2=CCN(C(=O)COC)CC2)nn1 1017461024 HCGJFOSVYZLRFN-UHFFFAOYSA-N 319.365 -0.001 30 20 DBED C=CCN1CC[C@H](N[C@H]2CCN(C(=O)Cn3ccnc3)C2)C1=O 1019867862 NQFGFNRSJYGYEJ-KBPBESRZSA-N 317.393 -0.140 30 20 DBED Cn1ncc(C(=O)N2C[C@@H]3CCN(C(=O)C#CC4CC4)[C@@H]3C2)n1 1021589509 XBVXOROMAOUFBD-GXTWGEPZSA-N 313.361 -0.099 30 20 DBED CC#CCN1C[C@H]2[C@H](NC(=O)[C@H]3CN4CCC[C@H]4CO3)[C@H]2C1 1025798649 CIOJZSUTOUMMRO-AALSBFMBSA-N 303.406 -0.081 30 20 DBED C=CCN[C@@H]1CC[C@@H]2CN(C(=O)Cn3ncn(C)c3=O)C[C@@H]21 1026298662 RZPZQXJCDDRFHQ-FRRDWIJNSA-N 305.382 -0.406 30 20 DBED CN1C(=O)CN(CC(=O)N2C[C@@H]3[C@@H](CC[C@H]3NCC#N)C2)C1=O 1026396569 GEXFKLQFLGPZPS-QJPTWQEYSA-N 319.365 -0.769 30 20 DBED C=CCNC1CCC(NC(=O)CN2CCN(C)C(=O)C2)CC1 1026517468 IVTLGVGXGQZNRI-UHFFFAOYSA-N 308.426 -0.037 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)[C@H]1CCC(=O)NC1 1026620080 KIHJLVCRBUGWNI-KWCYVHTRSA-N 317.389 -0.111 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN(CC(=O)N2CCC2)C1 1030462296 PQMGRAPUZHLDCB-AWEZNQCLSA-N 304.394 -0.883 30 20 DBED C#CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](Cn1cccn1)N(C)C 1032444062 IYMAEIMEHRWWPV-KKUMJFAQSA-N 301.394 -0.268 30 20 DBED CC#CCN1C[C@@H]2C[C@H]1CN2C(=O)c1coc(S(N)(=O)=O)c1 1032483497 RCFRECQVRIKMIF-RYUDHWBXSA-N 323.374 -0.151 30 20 DBED C=CCn1cccc1C(=O)NC[C@H]1CN(CC(=O)NC)CCO1 1035398278 LPELITUVASAMJM-ZDUSSCGKSA-N 320.393 -0.149 30 20 DBED C=C(C)CN1CCO[C@H](CNC(=O)[C@H]2CCCS2(=O)=O)C1 1035611304 RRYGRZUNOVTSLT-CHWSQXEVSA-N 316.423 -0.043 30 20 DBED C#CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)c1ccccc1OCC(N)=O 1037501456 JKGISTHIGREWJR-FFSVYQOJSA-N 313.357 -0.014 30 20 DBED C=CCCN1CC[C@@H]1CNC(=O)[C@H]1CCN(C)S1(=O)=O 1038801676 NNACXFWAAVBOCW-VXGBXAGGSA-N 301.412 -0.213 30 20 DBED C#CCCCC(=O)N1CC[C@](O)(CNC(=O)[C@@H](C)OCC#C)C1 1039722180 SOJIGBVWQQXKMJ-PBHICJAKSA-N 320.389 -0.092 30 20 DBED COCC(=O)N1CC[C@@H]2OCCN(c3nccnc3C#N)[C@H]2C1 1039989246 DZNYDJWUFVYQKX-STQMWFEESA-N 317.349 -0.199 30 20 DBED N#Cc1ccc(N2CCO[C@H]3CCN(C(=O)C(N)=O)C[C@@H]32)cn1 1040001554 SVUHEBYXDZLEKS-STQMWFEESA-N 315.333 -0.755 30 20 DBED C[C@H]1[C@@H](N=c2cc[nH]c(C#N)n2)CCN1C(=O)c1nnn(C)n1 1040219195 ZIJFDVOGRYGJCW-IUCAKERBSA-N 313.325 -0.991 30 20 DBED CCCC(=O)NCC(=O)N1CC[C@](O)(CNC(=O)[C@@H](C)C#N)C1 1040764587 WZVNFEMONDDOIT-NHYWBVRUSA-N 324.381 -0.858 30 20 DBED Cc1cnc(C(=O)N2CC[C@](O)(CNC(=O)[C@H](C)C#N)C2)cn1 1040764847 ZQMSLUSVVNZYBZ-BMIGLBTASA-N 317.349 -0.362 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)CC2=CCOCC2)C1 1040819690 BVVOKSGDVGLHEI-BLLLJJGKSA-N 321.377 -0.038 30 20 DBED N#Cc1c(F)cccc1N1C[C@@H](O)[C@H](NC(=O)c2cnn[nH]2)C1 1041434299 BYQGKXBJCXYAFI-DGCLKSJQSA-N 316.296 -0.205 30 20 DBED Cc1cccc(C(=O)NCC2(O)CN(C(=O)[C@H](C)C#N)C2)n1 1041517892 UFGQERPWHYNGTE-SNVBAGLBSA-N 302.334 -0.147 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)c2cocn2)C1 1042059996 RMMOFYZBJZIZEA-SNVBAGLBSA-N 307.306 -0.984 30 20 DBED CN1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)C#CC(C)(C)C)C1 1042098333 PZLRZGKFCSLZLC-ZDUSSCGKSA-N 321.421 -0.180 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)c2cn(C)nc2C)C1 1042146171 XUVJKOGWWPWNTH-UHFFFAOYSA-N 322.365 -0.766 30 20 DBED C#CCN1CC[C@@H]2CCN(C(=O)CN3CCC(=O)NC3=O)C[C@@H]21 1042304831 SCMXWXUWTWMVRJ-OLZOCXBDSA-N 318.377 -0.516 30 20 DBED CN(C(=O)Cn1cnnn1)C1CN(CC#Cc2ccccc2)C1 1042460025 MFPDESCGNSNXLN-UHFFFAOYSA-N 310.361 -0.133 30 20 DBED C=C[C@@H](CC)CC(=O)N1CC(O)(CNC(=O)c2cn(C)nn2)C1 1042885492 MZXFXRBPDNIJPQ-NSHDSACASA-N 321.381 -0.280 30 20 DBED O=C(C#CC1CC1)NCC1(O)CN(C(=O)[C@]2(F)CCOC2)C1 1042965279 ZQNHIWBFNMNPDW-HNNXBMFYSA-N 310.325 -0.782 30 20 DBED CC(C)(C)C#CC(=O)NCC1(O)CN(C(=O)c2ccnnc2)C1 1042970867 ZTTPUJPNOUPIRS-UHFFFAOYSA-N 316.361 -0.171 30 20 DBED C=CCCOCC(=O)NCC1(O)CN(C(=O)C[C@H](C)OC)C1 1043563526 ARFYSIQKCIPDTI-LBPRGKRZSA-N 314.382 -0.306 30 20 DBED C=CCCN1CC(N(C)C(=O)[C@H]2CCN(C)S2(=O)=O)C1 1044035816 GAMOTCGIYMUZKI-GFCCVEGCSA-N 301.412 -0.261 30 20 DBED C=C(C)C[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2cn(C)nn2)C1 1045055386 RBVZFKXMMRFGLN-LLVKDONJSA-N 321.381 -0.280 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCO[C@@H]2C)C1 1045292670 IOOUVTMUQITBDM-VXGBXAGGSA-N 312.366 -0.697 30 20 DBED C#CCN1CC[C@@H](N2CCN(C(=O)[C@H]3CCC(=O)N3)CC2)C1 1046013516 ZNTJNIRWWFXXKH-ZIAGYGMSSA-N 304.394 -0.883 30 20 DBED C[C@@H]1COCC[C@@H]1C(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1046225174 QXSYRVOAHDWRRK-OCCSQVGLSA-N 320.389 -0.238 30 20 DBED C=C(C)C[C@@H](C)C(=O)N1CC(O)(CNC(=O)Cn2cncn2)C1 1046876257 XYRQSPKOYGQTSK-GFCCVEGCSA-N 321.381 -0.430 30 20 DBED CN(C(=O)Cc1ccccc1C(N)=O)[C@H]1CN(CC#N)C[C@@H]1O 1047481983 KZUFOSVCECOAFG-KBPBESRZSA-N 316.361 -0.645 30 20 DBED CC#CCN1C[C@@H]2CCCN(C(=O)c3nnc(O)nc3O)[C@@H]2C1 1050087786 LKZMHFSSLBNLIS-WDEREUQCSA-N 317.349 -0.158 30 20 DBED Cc1nc2ccnn2cc1C(=O)NC[C@H]1COCCN1CC#N 1051185821 AYWJIRJWMBRIMZ-LBPRGKRZSA-N 314.349 -0.008 30 20 DBED COc1ccc(CNC[C@H]2CN(C(=O)[C@H](C)C#N)CCO2)nn1 1051494302 HFMXYCMYHPUAHW-YPMHNXCESA-N 319.365 -0.038 30 20 DBED C=CC(C)(C)C(=O)N1CCO[C@H](CNCc2nnnn2C)C1 1051755973 MQAWVLLXRAOJQV-LLVKDONJSA-N 308.386 -0.261 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1C 1051923401 XHUYBUCHCRUPAZ-VXGBXAGGSA-N 306.370 -0.150 30 20 DBED C#CCN1CC2(C1)CN(C(=O)C[C@@H]1CCCCC(=O)N1)CCO2 1053517096 ILWGDAILMNGVGR-AWEZNQCLSA-N 319.405 -0.018 30 20 DBED C#CCN1CC2(CC[C@@H](CNC(=O)c3cn(C)c(=O)n3C)O2)C1 1053700965 JCGAJMROZZNFTC-LBPRGKRZSA-N 318.377 -0.680 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)[C@@H]3CN4CCC3CC4)CO2)C1 1053802468 BDPSKXPKQHWYOO-ZIAGYGMSSA-N 304.394 -0.189 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@@H]2CN(C(=O)[C@H](C)OC)C[C@@H]2C1 1055205383 QWGFXGNEWWIARP-RFQIPJPRSA-N 308.378 -0.024 30 20 DBED C[C@@H](C#N)C(=O)NCCN1CCC(NC(=O)c2ncc[nH]2)CC1 1055629844 LXNGAIKZJYKQHK-NSHDSACASA-N 318.381 -0.120 30 20 DBED C[C@H](C(=O)N1CCN(c2nccnc2C#N)CC1)n1cncn1 1055753980 GNVSASRIYDHRFE-LLVKDONJSA-N 312.337 -0.150 30 20 DBED Cc1ccc(C#N)c(N2C[C@@H]3C(NC(=O)c4nnn(C)n4)[C@H]3C2)n1 1056372274 KNYBKQNZBWXVHX-QWRGUYRKSA-N 324.348 -0.350 30 20 DBED C#CCOCCC(=O)N1CCC[C@H]2[C@@H]1CCN2C(=O)CC(N)=O 1056403750 ZYVJTLKJDSEOOY-STQMWFEESA-N 321.377 -0.506 30 20 DBED CNC(=O)CC(=O)N1CCC[C@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]21 1056650363 FECQFPGFOBMEEQ-SDDRHHMPSA-N 306.366 -0.268 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)[C@]1(C)CCC(=O)N1 1057445153 JZPZWGZPEOZIHW-INIZCTEOSA-N 323.393 -0.604 30 20 DBED C#CCO[C@H](C)C(=O)N(CCO)CCNC(=O)c1[nH]ccc1C 1057582944 CVLLPYWJINGDLS-CYBMUJFWSA-N 321.377 -0.088 30 20 DBED C#CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)/C=C/C1CC1 1057583708 XYMVUBUMOACNCJ-YBJDMEARSA-N 308.378 -0.072 30 20 DBED C=CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)COCC 1057921227 CIIXNVVGIUTGHC-LBPRGKRZSA-N 302.371 -0.449 30 20 DBED C=CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)CCOCC 1057921697 NPBOBFQMQSCDFN-ZDUSSCGKSA-N 316.398 -0.059 30 20 DBED O=C(C#CC1CC1)NCCN(CCO)C(=O)C[C@H]1CCC(=O)N1 1058073763 YLSWZESCQTWIFI-CYBMUJFWSA-N 321.377 -0.994 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H]1CCN(C(=O)C2CC2)C1 1058988075 VONAOSMBTHXNND-LBPRGKRZSA-N 305.378 -0.109 30 20 DBED N#Cc1ccc(C(=O)NCC[C@H]2CCN(C(=O)C(N)=O)C2)[nH]1 1060271558 PYEUFLFNOQQWLG-VIFPVBQESA-N 303.322 -0.660 30 20 DBED Cc1cc(C#N)nc(NC[C@H]2CCCCN2C(=O)C(N)=O)n1 1060299475 LVPOVZZICGROBX-LLVKDONJSA-N 302.338 -0.065 30 20 DBED N#Cc1nccnc1N1CCC[C@H]1CNC(=O)[C@H]1COCCO1 1061299907 XGOYRDFAINUEET-WCQYABFASA-N 317.349 -0.151 30 20 DBED N#Cc1cncc(N2CC[C@@H](CNC(=O)[C@@H]3CCC(=O)N3)C2)n1 1061625950 BAWKOCBORNTLPG-JQWIXIFHSA-N 314.349 -0.431 30 20 DBED C#CCNC(=O)CC(=O)NCC1(NC(=O)[C@@H](C)C#N)CCC1 1062829189 CNXJDANMWSEWGV-NSHDSACASA-N 304.350 -0.559 30 20 DBED C[C@H]1CN(C(=O)c2nc[nH]n2)CC[C@@H]1N=c1cc[nH]c(C#N)n1 1063758313 PDPKJUGQCVGPQD-UWVGGRQHSA-N 312.337 -0.149 30 20 DBED N#Cc1ccc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)c2nccnc2N)nn1 1064225973 VANWXUSURVQLAL-UBHAPETDSA-N 322.332 -0.272 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@H]1CN(C(=O)c2cocn2)CCO1 1064971937 LVYUNXSTXVOZLE-NHYWBVRUSA-N 323.349 -0.041 30 20 DBED COCCOCC(=O)N1CCO[C@@H](CNC(=O)[C@H](C)C#N)C1 1064985297 HHSHNAAKDVGTSJ-NEPJUHHUSA-N 313.354 -0.847 30 20 DBED CC(C)(C(N)=O)C(=O)NC[C@@H]1CN(C(=O)C#CC2CC2)CCO1 1065137577 XDKVCBIPTKNOPH-GFCCVEGCSA-N 321.377 -0.745 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)CCNC(N)=O)CCO1 1065142572 QKFAAMUQPJWPAP-LBPRGKRZSA-N 324.381 -0.952 30 20 DBED CN(C(=O)c1cc[nH]n1)[C@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1065568598 GKKJEDDUBOXPAH-RYUDHWBXSA-N 313.321 -0.607 30 20 DBED N#Cc1ccc(N2CCOC[C@H]2CNC(=O)c2cocn2)nn1 1066470165 KVFCLQALVATILI-LLVKDONJSA-N 314.305 -0.029 30 20 DBED C#CCO[C@H](C)C(=O)N(C)CCCN(C)C(=O)CNC(C)=O 1066663629 MPCGKVIVBGKZPQ-GFCCVEGCSA-N 311.382 -0.532 30 20 DBED N#Cc1nccc(N2C[C@@H](O)[C@H](CNC(=O)c3ccncc3)C2)n1 1067643115 QCDYVXFLAQZQOG-CHWSQXEVSA-N 324.344 -0.030 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@@H](CNC(=O)c3cnn[nH]3)C2)cn1 1067697079 AVGANERUXGVKBG-TVQRCGJNSA-N 313.321 -0.702 30 20 DBED C#CCNC(=O)CC(=O)N1CC2(CN(C(=O)CCC)CCO2)C1 1068275516 PTMASVQCQBIFKN-UHFFFAOYSA-N 321.377 -0.634 30 20 DBED C=CCC(CC=C)C(=O)N[C@H]1COC2(C1)CN(C(=O)C(N)=O)C2 1068880153 PXHZYFYLZBUZDY-GFCCVEGCSA-N 321.377 -0.274 30 20 DBED C=CCN[C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@@H]1n1ccnn1 1070158966 ZCKLKLWXGRFQHO-RDBSUJKOSA-N 304.398 -0.100 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@@H]2CCOC2)C[C@H]1c1cn(C)cn1 1070474739 JRRJCQJQBFEMNR-VNHYZAJKSA-N 302.378 -0.026 30 20 DBED C=CCOCC(=O)N1CCC[C@@H](NC(=O)CCn2ccnn2)C1 1070554413 PEUOSBCJUAVHJG-CYBMUJFWSA-N 321.381 -0.022 30 20 DBED Cn1cc(C(=O)N2C[C@@H](NCC#N)[C@H](c3cncn3C)C2)nn1 1070645036 KTZBFESOQNAQOW-GHMZBOCLSA-N 314.353 -0.730 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)Cc4ccnn4C)C[C@@]3(C1)O2 1070792402 VNJSKZMFKGMJHX-FRFSOERESA-N 314.389 -0.103 30 20 DBED CC#CCN1CCNC(=O)CCN(C(=O)[C@@H]2CCCO2)CC1 1070936797 UEMRGYCPCBFTAU-AWEZNQCLSA-N 307.394 -0.161 30 20 DBED C=CCCC(=O)NCC[C@H](C)NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 1075884578 GSAITGWYWCELFO-SDDRHHMPSA-N 311.382 -0.004 30 20 DBED CNC(=O)NCC(=O)NCC[C@H](C)NC(=O)c1cc(C#N)c[nH]1 1076901019 OQBWMFFJINFANE-VIFPVBQESA-N 320.353 -0.560 30 20 DBED C=CCOCC(=O)N[C@@H](C)CCNC(=O)CCc1cn(C)nn1 1077204761 WNTDYLRTYYEATD-LBPRGKRZSA-N 323.397 -0.039 30 20 DBED C=C[C@@](C)(O)CC(=O)N(CC)C1CN(C(=O)Cn2cncn2)C1 1079690235 SIPNMSMLEJXJLT-OAHLLOKOSA-N 321.381 -0.336 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)Cn2ncnn2)C1 1079830835 XGPDUADCKGJGKV-NSHDSACASA-N 322.369 -0.677 30 20 DBED CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)[C@@H]2CCC(=O)N2C)C1 1080420425 UKRZBRWLMJXANB-JQWIXIFHSA-N 306.366 -0.174 30 20 DBED C#CCCCCC(=O)N1CCC(CO)(NC(=O)C(N)=O)CC1 1080977234 BGSXCMJKTLKPLQ-UHFFFAOYSA-N 309.366 -0.865 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2cc[nH]n2)C[C@H]1O 1081343552 DQAHUPVRNRCSTF-CMPLNLGQSA-N 308.338 -0.839 30 20 DBED C#CCCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2ncc[nH]2)C1 1081455089 ILGQPCCYGABLNM-NWDGAFQWSA-N 304.350 -0.238 30 20 DBED Cc1nc(C(=O)N2C[C@H](CNC(=O)C#CC3CC3)[C@@H](O)C2)co1 1081470416 ACQNQKZTRZZBHS-JSGCOSHPSA-N 317.345 -0.054 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(C(=O)c2ncc[nH]2)C[C@H]1O 1081471400 MVAOUFFMLPVXQI-NWDGAFQWSA-N 302.334 -0.628 30 20 DBED C=C(C)C(C)(C)C(=O)NC[C@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1O 1081643377 TYMZXBLIMGEUOD-WDEREUQCSA-N 321.381 -0.044 30 20 DBED C=CC(C)(C)C(=O)NC[C@H]1CN(C(=O)c2cnon2)C[C@@H]1O 1081643689 YCFLSUNPFVBBMB-ONGXEEELSA-N 308.338 -0.169 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@H]2CCc3nncn3C2)[C@H](OC)C1 1082382888 ZCOLSCXJVGTMTE-YNEHKIRRSA-N 303.366 -0.711 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)Cn2nc(C)ccc2=O)C1 1083976749 FZYMMRGSFTWIFR-OLZOCXBDSA-N 306.366 -0.711 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@@H](C)N2CCCCC2=O)C1 1084087676 ZWPNFGFIPTVALQ-MCIONIFRSA-N 307.394 -0.428 30 20 DBED CC#CCN1CC[C@H](NC(=O)Cn2ccc(O)nc2=O)[C@H]1C 1088714332 AUUQJIRUSFGUSB-NEPJUHHUSA-N 304.350 -0.449 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2nccnc2C(N)=O)[C@H]1C 1089027888 PKFHAADFUMYOOX-MNOVXSKESA-N 301.350 -0.209 30 20 DBED C=C(C)CCN1CC[C@H](NC(=O)c2nnc(O)nc2O)[C@@H](O)C1 1090398287 XMUJYHXHBNTOHQ-UWVGGRQHSA-N 323.353 -0.586 30 20 DBED C=CCN1CC[C@H](NC(=O)Cn2nnc3c2CCCC3)[C@H](O)C1 1090574016 QUAUIZUPWCVGIY-DZGCQCFKSA-N 319.409 -0.106 30 20 DBED CCOCCC(=O)N[C@H]1CCN(c2cncc(C#N)n2)C[C@@H]1O 1092154159 RXSQKORWDIDKJV-STQMWFEESA-N 319.365 -0.169 30 20 DBED Cc1ccc(=O)n(CC(=O)N2C[C@H]3CN(CC#N)C[C@@]3(C)C2)n1 1092217496 KKTHDNLLCAGBJL-CJNGLKHVSA-N 315.377 -0.144 30 20 DBED CC#CCN1C[C@@H]2CN(C(=O)CN3C(=O)CCC3=O)C[C@]2(C)C1 1092261992 AZBAFIIJGZRQEF-DYVFJYSZSA-N 317.389 -0.061 30 20 DBED CC(C)[C@@H](O)C(=O)N[C@H]1[C@@H]2CN(c3ccc(C#N)nn3)C[C@@H]21 1093260524 MWXALWOAVJJEFE-UVLXDEKHSA-N 301.350 -0.084 30 20 DBED CC#CCN1CC(OC2CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)C1 1093594154 WORFPOJCLAQDPM-HNNXBMFYSA-N 319.405 -0.020 30 20 DBED CC(=O)N1CCO[C@@H](C(=O)NCCNc2ncccc2C#N)C1 1093798922 GMTGXGZFHPFLJD-CYBMUJFWSA-N 317.349 -0.271 30 20 DBED COc1nn(C)cc1C(=O)NCCNc1ccc(C#N)nn1 1094033558 RKNCWTFTOPADGE-UHFFFAOYSA-N 301.310 -0.068 30 20 DBED Cn1cc(CC(=O)NCCN=c2cc[nH]c(C#N)n2)c(Cl)n1 1094112562 BVBKDVOXUMVYII-UHFFFAOYSA-N 319.756 -0.072 30 20 DBED C[C@@H]1CN(C)C[C@H](C(=O)NCCNc2ccc(C#N)nn2)O1 1094226007 HJZMJORHEYULNX-ZYHUDNBSSA-N 304.354 -0.405 30 20 DBED COC(=O)[C@H]1C[C@H]1C(=O)NCCCN=c1cc[nH]c(C#N)n1 1094327960 DHDOJAKNXKZKRO-ZJUUUORDSA-N 303.322 -0.503 30 20 DBED C#CCN1CCN(C(=O)c2cocn2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094612304 HQYADTLBRHINRA-NWDGAFQWSA-N 309.347 -0.769 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)c3ncccc3O)CC2=O)C1 1094731220 LWLFYJTYJUTDHJ-NSHDSACASA-N 314.345 -0.565 30 20 DBED C[C@H](NC(N)=O)C(=O)N1CC[C@@H](Nc2cnc(C#N)cn2)C1 1095028204 BEHFWSUAUGRHQN-DTWKUNHWSA-N 303.326 -0.582 30 20 DBED N#Cc1cnc(N2CCC(CNC(=O)C(N)=O)CC2)c(F)c1 1095377158 JIYWDKFVLRFSIS-UHFFFAOYSA-N 305.313 -0.090 30 20 DBED CN1C[C@H](C(=O)NCCCN(C)c2ccnc(C#N)n2)CC1=O 1095762111 ZMQILEJXKHGCPM-LLVKDONJSA-N 316.365 -0.231 30 20 DBED N#Cc1ccc(N2CC[C@H](NC(=O)CCn3cncn3)C2)nn1 1096315079 GAHOUBAWZRZJDZ-LBPRGKRZSA-N 312.337 -0.275 30 20 DBED CN1CC(=O)N(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC#N)C1=O 1096503642 LAAPDPBYMOXFGS-VWYCJHECSA-N 305.338 -0.875 30 20 DBED C[C@@H](CNC(=O)[C@@H](C)CS(C)(=O)=O)N=c1cc[nH]cc1C#N 1097895852 FTZIPBRRGAIQDR-QWRGUYRKSA-N 324.406 -0.028 30 20 DBED CC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cn(C)c(=O)nc1O 1098382566 BYTGFDJCIORLEI-RTXFEEFZSA-N 316.361 -0.156 30 20 DBED C#CCN(CCO)C1CCN(C(=O)[C@@]2(C)CCNC(=O)C2)CC1 1098404028 CEDYXVQTXIXQFG-KRWDZBQOSA-N 321.421 -0.179 30 20 DBED C[C@@]1(C(=O)N2CCC(N(CC#N)CCO)CC2)CCNC(=O)C1 1098404906 XCRMHDKXNHUSJD-MRXNPFEDSA-N 322.409 -0.288 30 20 DBED C[C@H](CCNC(=O)CCc1nc[nH]n1)N=c1cc[nH]c(C#N)n1 1099014633 BRVDIBXKPUKLOB-SNVBAGLBSA-N 314.353 -0.172 30 20 DBED Cn1cnn(CC(=O)NC[C@@H]2CCC(C)(C)CN2CC#N)c1=O 1099130621 PYIVUHFDWQZURE-LBPRGKRZSA-N 320.397 -0.288 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)Cc2ccn(C)n2)[C@H](O)C1 1099816065 QHOWWMBLVDTNGT-LSDHHAIUSA-N 322.409 -0.283 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)c2ccns2)[C@@H](O)C1 1099852839 FWXRBTCHHWHLKH-MNOVXSKESA-N 322.390 -0.943 30 20 DBED CC#CCN1CC[C@@H](NC(=O)C(=O)NCC(F)(F)F)[C@H](O)C1 1100053040 IUHRYBNFSHCHIT-NXEZZACHSA-N 321.299 -0.760 30 20 DBED C=CCN1CC[C@H](NC(=O)CS(=O)(=O)C(C)C)[C@H](O)C1 1100114734 SMBNGYAMUBSIBT-NWDGAFQWSA-N 304.412 -0.453 30 20 DBED COCC#CCN1CC[C@H](NC(=O)CN(C)C(C)C)[C@H](O)C1 1100132078 NCDOXLWRZPONCK-LSDHHAIUSA-N 311.426 -0.472 30 20 DBED CCN(CCNC(=O)[C@H]1CCC(=O)NC1)c1cnc(C#N)cn1 1100765516 MRHNGXWEDMVMMS-NSHDSACASA-N 316.365 -0.183 30 20 DBED CC(=O)N(C)CC(=O)NC[C@@H]1CCCN1c1cncc(C#N)n1 1100789288 DQCPKBLTMOVTQS-ZDUSSCGKSA-N 316.365 -0.088 30 20 DBED N#CCNC1CC(CNC(=O)CCNC(=O)[C@H]2CCCO2)C1 1101072350 GVGZWIBBTRZDSP-WXRRBKDZSA-N 308.382 -0.320 30 20 DBED CN(CCN=c1cc[nH]cc1C#N)C(=O)[C@H]1COCCN1C 1101564045 CQQJKPKYHPMCRV-CQSZACIVSA-N 303.366 -0.424 30 20 DBED CN(C(=O)C(C)(C)C(N)=O)[C@H]1CCN(c2cncc(C#N)n2)C1 1102740230 JOKLGPKVZNNCPR-NSHDSACASA-N 316.365 -0.103 30 20 DBED CN(C)C(=O)CC(=O)N(C)[C@@H]1CCN(c2cncc(C#N)n2)C1 1102765166 QTNFVVSMHXMNSQ-GFCCVEGCSA-N 316.365 -0.136 30 20 DBED CC[C@H](CNC(=O)[C@@H]1CN(C)CCO1)Nc1cnc(C#N)cn1 1103031068 QNFYFKZRUKWJAK-YPMHNXCESA-N 318.381 -0.014 30 20 DBED C[C@@H](CNC(=O)Cn1cncn1)CNc1ccc(C#N)nn1 1103968966 DSALYWZODSKAMX-SNVBAGLBSA-N 300.326 -0.196 30 20 DBED C=CCCC(=O)N1CC(n2cc(CN[C@@H](C)C(N)=O)nn2)C1 1105185905 WVIRDTCJYOLDHO-JTQLQIEISA-N 306.370 -0.409 30 20 DBED CN1C[C@@H](C(=O)N(C)CCN(C)c2cnc(C#N)cn2)CC1=O 1105584853 OZWBRFZNXWDHQU-NSHDSACASA-N 316.365 -0.279 30 20 DBED N#Cc1ccc(NC[C@@H]2CCC[C@H]2NC(=O)CNC(N)=O)nn1 1105653970 CTQIGWQFGBDARH-GXSJLCMTSA-N 317.353 -0.287 30 20 DBED COCCc1nsc(NC[C@@H](O)CNC(=O)[C@@H](C)C#N)n1 1105773143 CTMSNCYTJMDBDC-IUCAKERBSA-N 313.383 -0.224 30 20 DBED CN1CC[C@H](CC(=O)NC[C@H](O)CNc2nccnc2C#N)C1 1105914329 UIOQFLSUASQCRA-NEPJUHHUSA-N 318.381 -0.421 30 20 DBED Cc1nonc1CC(=O)NC[C@@H](O)CNc1cnc(C#N)cn1 1105947463 FONJATFGNLQQAK-JTQLQIEISA-N 317.309 -0.829 30 20 DBED Cc1cc(=NC[C@H](O)CNC(=O)[C@@H]2[C@H]3COC[C@H]32)c(C#N)c[nH]1 1106063300 YISNYJQUTMNBJQ-RMRHIDDWSA-N 316.361 -0.535 30 20 DBED N#Cc1cnc(NC[C@H](O)CNC(=O)Cc2cscn2)cn1 1106126658 PBHWHBPPYBHDQT-NSHDSACASA-N 318.362 -0.064 30 20 DBED Cc1cc(C#N)nc(NC[C@H](O)CNC(=O)[C@@]23COC[C@@H]2C3)n1 1106145124 ICWIAUBCANVDCM-NVBFEUDRSA-N 317.349 -0.418 30 20 DBED C[C@H](NC(N)=O)C(=O)N[C@H](C)CCN=c1cc[nH]c(C#N)n1 1106297327 BSPVLDPVBWHPME-BDAKNGLRSA-N 305.342 -0.866 30 20 DBED C[C@@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)C[C@@H](C)NC(N)=O 1106446494 ISMSKPZGJYTZOE-VHSXEESVSA-N 319.369 -0.476 30 20 DBED C#CCNC[C@@H]1CN(C(=O)Cn2nc(C)n(C)c2=O)C[C@H]1C 1106937888 HQGQOUPOBBYMOD-DGCLKSJQSA-N 305.382 -0.792 30 20 DBED Cc1cncn1CC(=O)NCc1cn(C2CN(CC#N)C2)nn1 1107184818 FLVKGLFSKJOJHO-UHFFFAOYSA-N 314.353 -0.520 30 20 DBED COCC#CCN1CCO[C@](C)(CNC(=O)[C@H]2CCC(=O)N2)C1 1107815172 NJOKZIIAFNBBLL-CZUORRHYSA-N 323.393 -0.878 30 20 DBED C=C(C)CN1CCO[C@](C)(CNC(=O)c2nnc(O)nc2O)C1 1108051936 SIYYULDWGMNUIB-CQSZACIVSA-N 323.353 -0.320 30 20 DBED C[C@@H](CNc1ccc(C#N)nn1)NC(=O)CCn1cncn1 1108271739 BBZPXUAOPVHLDR-JTQLQIEISA-N 300.326 -0.053 30 20 DBED CC#CCN1CC(N2C[C@H](NC(=O)C[C@@H](C)OC)CC2=O)C1 1108517627 KSFNCRRPSPCSNI-CHWSQXEVSA-N 307.394 -0.164 30 20 DBED C#CCCN1CC(N2C[C@@H](NC(=O)C[C@@H](C)OC)CC2=O)C1 1108518285 VZVBHFXTACJBQK-OLZOCXBDSA-N 307.394 -0.164 30 20 DBED C#CCCCCCC(=O)N[C@H]1CC(=O)N(C2CN(CCO)C2)C1 1108564109 BQXVXTUSQUTHRU-AWEZNQCLSA-N 321.421 -0.036 30 20 DBED CN1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCC#N)C1 1110101459 PPSQLEZJRSUHRD-MQYQWHSLSA-N 319.409 -0.701 30 20 DBED CCCOCC(=O)NC[C@@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1112709506 KOURHUZLYQFEBB-YPMHNXCESA-N 319.365 -0.312 30 20 DBED C[C@@H](NC(=O)Cn1cnnn1)[C@@H](C)Nc1nccnc1C#N 1112905143 IWKGBFFCZZCYSG-RKDXNWHRSA-N 301.314 -0.660 30 20 DBED C[C@H](NC(=O)Cn1ncnn1)[C@@H](C)N=c1cc[nH]cc1C#N 1113194357 QOCIWVCFJIFYHH-ZJUUUORDSA-N 300.326 -0.633 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)C(C)(C)NC(C)=O)CC1 1113434393 FKFPIYXKPANTDR-GFCCVEGCSA-N 324.425 -0.264 30 20 DBED C[C@@H](CNC(=O)C1CS(=O)(=O)C1)N(C)c1ccncc1C#N 1113734121 XJESSAUXMQIFTR-JTQLQIEISA-N 322.390 -0.061 30 20 DBED C[C@H](CNC(=O)c1c[nH]c(=O)cn1)N(C)c1cnc(C#N)cn1 1113850416 ZUUXPJQYJNXQNP-SECBINFHSA-N 313.321 -0.314 30 20 DBED N#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3ccccc3O)[C@H]2C1 1113883943 ZCAVZJNQOHSUJP-JYAVWHMHSA-N 314.345 -0.308 30 20 DBED C[C@H](OCC1CC1)C(=O)NC1[C@H]2CN(CC(=O)NCC#N)C[C@H]12 1113992534 JAYAEDJBSKHYAN-DRZSPHRISA-N 320.393 -0.512 30 20 DBED N#Cc1ccc(N2C[C@H]3[C@H](CNC(=O)Cn4ncnn4)[C@H]3C2)cn1 1114573788 BZOKSSRJUJHGQZ-ZSOGYDGISA-N 324.348 -0.562 30 20 DBED COCCC(=O)N1CCO[C@@H]([C@H](C)N=c2cc[nH]c(C#N)n2)C1 1114628043 HQZXZPPAWZNLOT-NWDGAFQWSA-N 319.365 -0.166 30 20 DBED C[C@H]1C[C@@H](CNc2cnc(C#N)cn2)CN1C(=O)CNC(N)=O 1114667784 VJVOYLOTZMOYMO-UWVGGRQHSA-N 317.353 -0.335 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)[C@H]3CCCCC(=O)N3)[C@H]2C1 1114819224 LSUXHHZXUQCTNB-CTASWTNQSA-N 319.405 -0.259 30 20 DBED C=CCn1cc(C(=O)NC2[C@H]3CN(CC(=O)NCC)C[C@H]23)nn1 1114941317 AKXQLDIGNDAVBA-QWRGUYRKSA-N 318.381 -0.740 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@H]1[C@@H]2CN(CC(=O)NC(=O)NC)C[C@@H]21 1115333259 VKGKCXGYHGZKMP-MEWQQHAOSA-N 324.381 -0.921 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N1CCC[C@@H](C2OCCO2)C1 1117545019 UIWSPAUIFUXZTI-NEPJUHHUSA-N 312.366 -0.085 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C[C@@H](C)Nc1nccn2nnnc12 1120093940 SSUSXAIHGVRXJM-MNOVXSKESA-N 317.353 -0.184 30 20 DBED N#Cc1nc(=N[C@H](CO)CNC(=O)c2cc(Cl)c[nH]2)cc[nH]1 1121049277 AHEYNQGOKVMCPD-VIFPVBQESA-N 320.740 -0.046 30 20 DBED CC(C)[C@H](C(=O)NC[C@@H](CO)Nc1ccc(C#N)nn1)N(C)C 1121840314 RIPCWVLDSPGGHD-GXTWGEPZSA-N 320.397 -0.177 30 20 DBED Cc1nsc(N[C@@H](CO)CNC(=O)c2cnn[nH]2)c1C#N 1122879629 AVXRYXHPTHQCRS-SSDOTTSWSA-N 307.339 -0.356 30 20 DBED C[C@H]1[C@H](Nc2cncc(C#N)n2)CCN1C(=O)CCNC(N)=O 1123013305 UNGOLQIIUHLBSJ-GXSJLCMTSA-N 317.353 -0.192 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H]1CC[C@H](NC(=O)CC(N)=O)C1 1123753021 NBXRONFDKSFNGD-PWSUYJOCSA-N 301.350 -0.053 30 20 DBED CC(C)[C@@H](O)C(=O)N(C)C[C@H](O)CNc1cncc(C#N)n1 1124295629 HRQZEYLEWHGTMR-DGCLKSJQSA-N 307.354 -0.404 30 20 DBED Cc1c[nH]c(C(=O)N(C)C[C@@H](O)CNc2ccc(C#N)nn2)n1 1124828279 KUHCRAIWWVHEMW-NSHDSACASA-N 315.337 -0.075 30 20 DBED N#Cc1cc(C(=O)NCCNCC(=O)Nc2ccon2)c[nH]1 1125994965 QQRQFDKYLRGYDJ-UHFFFAOYSA-N 302.294 -0.168 30 20 DBED CC(C)C#CC(=O)NCCNCC(=O)N1C[C@@H](C)O[C@H](C)C1 1126822785 KALHUVPCDMGMDO-ZIAGYGMSSA-N 309.410 -0.013 30 20 DBED CC(=O)CCCC(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1 1128688747 YNHUQTJUAPIEPQ-OLZOCXBDSA-N 304.354 -0.098 30 20 DBED C=C[C@@](C)(O)CC(=O)N1C[C@@H](NCCO)[C@H](c2cncn2C)C1 1130982996 LVVUUHPQFFGCDD-XJKCOSOUSA-N 322.409 -0.377 30 20 DBED CC#CCN1C[C@@H](NC(=O)CNS(=O)(=O)NC)CC[C@@H]1C 1132199729 MEMGOIFWGXXFRZ-RYUDHWBXSA-N 316.427 -0.967 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)c2c(C)ncnc2O)C1=O 1132706830 ZGAYPFZIOFBLQI-LLVKDONJSA-N 319.365 -0.403 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)COc1cnn(C)c1 1132964660 ZFZCFQBLSDMBGK-NSHDSACASA-N 309.370 -0.805 30 20 DBED C[C@H](C[C@@H](C)NC(=O)C#CC1CC1)NCCNS(C)(=O)=O 1134321252 GHXFXBZLCHABCS-VXGBXAGGSA-N 315.439 -0.178 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)c1cncc(OC)n1 1134832520 FHIMCWOMZXXPHC-JTQLQIEISA-N 307.354 -0.505 30 20 DBED CC#CCN[C@@H](C)C[C@H](C)NC(=O)CCn1ncn(C)c1=O 1135072010 XLGFHCAWZRNKOM-STQMWFEESA-N 307.398 -0.132 30 20 DBED C[C@@H](C[C@@H](C)NCC(=O)NCC#N)NC(=O)c1ccncn1 1135746974 MCQXVXSQGYAQIX-MNOVXSKESA-N 304.354 -0.397 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)C1(C(=O)N(C)C)CC1 1147314021 LRVKPHGDOREWHB-NSHDSACASA-N 310.398 -0.749 30 20 DBED CN(C)S(=O)(=O)CCC(=O)N1CC2(CCN(CC#N)C2)C1 1148818890 JXQLZQHUAYGCSU-UHFFFAOYSA-N 314.411 -0.674 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)[C@H](OC)c2cnn(C)c2)C1 1150036676 QMHPOLLFYSPOFX-HUUCEWRRSA-N 320.393 -0.052 30 20 DBED N#Cc1ccc(F)cc1CNCCCNC(=O)Cn1cnnn1 1154502318 DSBPQAAQDFSNMV-UHFFFAOYSA-N 317.328 -0.020 30 20 DBED C#CCCN(CC)[C@H](C)CNC(=O)[C@@H](CCC(N)=O)NC(C)=O 1155856452 IOZUWKCIWDRMQJ-TZMCWYRMSA-N 324.425 -0.394 30 20 DBED C#CCCN(CC)[C@H](C)CNC(=O)CN1CCC(=O)NC1=O 1156233954 QPOPVXJZIAZLBN-GFCCVEGCSA-N 308.382 -0.222 30 20 DBED CC#CCN(C)C[C@H]1CCCCN1C(=O)CN1CCNC(=O)C1 1158310897 MEOXHDABXZAHQW-OAHLLOKOSA-N 320.437 -0.246 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@H](OC)c1cnn(C)c1 1163344926 PHNNBBSGEMIELE-CQSZACIVSA-N 323.397 -0.494 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H](C)CCCCNCC(N)=O 1171307406 IOOZPIJYTGOVPO-KGLIPLIRSA-N 308.426 -0.166 30 20 DBED CCOCCOCC(=O)N1CC[C@@H]2OCCN(CC#N)[C@H]2C1 1177157525 SJDUETDNPWJDGX-KBPBESRZSA-N 311.382 -0.135 30 20 DBED C#CCNCCCCCCNC(=O)[C@H](CCC(N)=O)NC(C)=O 1179832315 WFROUPFJGTYLIN-AWEZNQCLSA-N 324.425 -0.344 30 20 DBED COCCOC[C@H](O)CN[C@@H]1CCN(C(=O)C#CC(C)C)C1 1182423217 WLXUIAYJUBJWMA-HUUCEWRRSA-N 312.410 -0.140 30 20 DBED N#CCN1C[C@@H]2CCN(C(=O)CNC(=O)C3CCOCC3)[C@@H]2C1 1189454120 RJFPNFKBFOGVFX-UONOGXRCSA-N 320.393 -0.415 30 20 DBED CN(CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 1189564357 AWZHAMXHTFEUKZ-SNVBAGLBSA-N 318.337 -0.772 30 20 DBED Cc1ncc(CN2C[C@@H](O)[C@H](NC(=O)CSCC#N)C2)cn1 1191162002 NJJKOZXCLDCXTA-CHWSQXEVSA-N 321.406 -0.297 30 20 DBED N#Cc1ccccc1CN1C[C@@H](O)[C@H](NC(=O)CC(N)=O)C1 1191979356 SIBRRJINDCGBAX-CHWSQXEVSA-N 302.334 -0.905 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@@H]1CCN(C(=O)c2ccnnc2)C1 1192523002 NXHJBOWMDAAMJR-GXTWGEPZSA-N 315.377 -0.239 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2ccn(C)c2C)C1 1195963515 GZPFGOABOHWEKU-ZIAGYGMSSA-N 320.393 -0.589 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)C(C)(C)CCOC)C1 1197374469 KRRWFXUIDKXVEO-ZIAGYGMSSA-N 312.410 -0.140 30 20 DBED C[C@@H](O)CNC[C@H]1CN(C(=O)CSCC#N)CCCO1 1199911656 AOFNOLLIBQUPAJ-NEPJUHHUSA-N 301.412 -0.169 30 20 DBED N#CCSCC(=O)N1CCCO[C@H](CNCCCO)C1 1199924369 SIAPJKZVALZVIT-GFCCVEGCSA-N 301.412 -0.167 30 20 DBED CC[C@@H](F)C(=O)N1CCCO[C@H](CNCC(=O)NCC#N)C1 1201146669 HZFFUHSXVJQWKS-VXGBXAGGSA-N 314.361 -0.419 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC(NCC(N)=O)CC1 1202802036 LKXYVCVCRQWXJZ-ZDUSSCGKSA-N 310.398 -0.477 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)c2ccon2)[C@H](C)C1 1206273921 MWZBZVLYVYHWRE-NQBHXWOUSA-N 304.350 -0.137 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCCN(C(=O)c2cccnn2)C1 1210274778 SOEQJIXUPOJHEZ-OLZOCXBDSA-N 315.377 -0.191 30 20 DBED CC#CCN[C@H]1CCCN(C(=O)COCc2ncnn2C)C1 1210412498 NBNQGAPTJBPUFH-ZDUSSCGKSA-N 305.382 -0.064 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1NC(=O)CCS(=O)(=O)N(C)C 1211242297 ZIABGTMOFHMBHA-GHMZBOCLSA-N 302.400 -0.772 30 20 DBED CCN(C(=O)CN1C[C@@H](NC(=O)[C@@H](C)C#N)[C@H](OC)C1)C1CC1 1212045656 TWPBJYRPZXGKEZ-IACUBPJLSA-N 322.409 -0.028 30 20 DBED CO[C@@H]1CN([C@H]2CCCNC2=O)C[C@H]1NC(=O)C#CC1CC1 1212246610 XAISGADZTRHCEU-HZSPNIEDSA-N 305.378 -0.506 30 20 DBED C=CCN1C[C@@H](NC(=O)CCc2nnc(O)nc2O)[C@H](OC)C1 1212507743 RFCKHLGRBFSKSK-GHMZBOCLSA-N 323.353 -0.783 30 20 DBED C=CCCC(=O)N1CCO[C@@H]2CN(CCN3CCNC3=O)C[C@@H]21 1217504292 ZYJMAVAOHYXUJF-UONOGXRCSA-N 322.409 -0.111 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)c2ccc(C)nc2)C1 1219189439 NBCLXLXPTXFEEC-CABCVRRESA-N 303.362 -0.185 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(CC2CC(C)C2)C[C@@H]1O 1219492448 MBEPLWJTWLTAHB-PQAZSJQKSA-N 307.394 -0.667 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)CS(=O)(=O)CCCCC)C1 1220746779 MPADFHZMGLYISA-OLZOCXBDSA-N 316.423 -0.614 30 20 DBED N#CCN1CC[C@@H]2CN(C(=O)CNC(=O)N3CCCC3)[C@@H]2C1 1221540900 FRSRSMXFINNPSK-CHWSQXEVSA-N 305.382 -0.152 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC(CNC(=O)c2cnn[nH]2)CC1 1223719648 HIRFENNHRRTOFN-LLVKDONJSA-N 318.381 -0.616 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)c2cc[n+]([O-])cc2)CC1 1225896864 FEWLKLKGLNKBBI-UHFFFAOYSA-N 316.361 -0.736 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cnnn1C 1225953941 PIDMDVHFXLCOBY-VXGBXAGGSA-N 318.381 -0.805 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)Cc2cc[nH]n2)CC1 1226708798 QWSDYYLECATYQE-UHFFFAOYSA-N 303.366 -0.718 30 20 DBED C#CCO[C@@H](C)C(=O)NC1CCN([C@H](C)C(=O)NC(N)=O)CC1 1227307526 CVRPDQRPHDAUTP-MNOVXSKESA-N 324.381 -0.811 30 20 DBED COCC#CCN1CCC(NC(=O)[C@H]2CCN(C)C2=O)CC1 1228717751 IKSFMRUHHZNSBC-CQSZACIVSA-N 307.394 -0.305 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)Cc2ncc[nH]2)CC1 1229722963 FXZUZNJPMPLKST-UHFFFAOYSA-N 303.366 -0.718 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)CC1(O)CCC1 1234151811 QRLCRJYZSOELKG-CYBMUJFWSA-N 307.394 -0.426 30 20 DBED C=CCNC(=O)CN1CCC[C@@H](NC(=O)c2cnn(C)c2N)C1 1265210058 HKTSXOHPQSJFDP-LLVKDONJSA-N 320.397 -0.501 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)[C@H]2CCNC(=O)CC2)C1 1267746685 QGJBYPYGKVUKPZ-CHWSQXEVSA-N 322.409 -0.605 30 20 DBED NC(=NOCC(=O)N[C@H]1CCS(=O)(=O)C1)c1cccs1 1317703839 TVDIOXJBMHDLMA-QMMMGPOBSA-N 317.392 -0.312 30 20 DBED N#Cc1ccc2c(c1)N(C(=O)C(=O)NCC1(CO)COC1)CC2 1319510384 HRYNAXMXLDVVPU-UHFFFAOYSA-N 315.329 -0.428 30 20 DBED N#CC1(NC(=O)c2ccnc(S(N)(=O)=O)c2)CCOCC1 1320433994 KXVJLFUHXXAJQH-UHFFFAOYSA-N 310.335 -0.468 30 20 DBED CCCNC(=O)CNC(=O)CCN/C(O)=C1\N=CC=CC1=O 1323392191 XUAYHCBPBTUPBE-BUHFOSPRSA-N 308.338 -0.455 30 20 DBED CN1C(=O)NC2(CCN(S(=O)(=O)CCCC#N)CC2)C1=O 1323425618 WRKLTSODTJNDIB-UHFFFAOYSA-N 314.367 -0.364 30 20 DBED C#CCSCCNC(=O)C(=O)N1CC[C@@H](N2CCCC2=O)C1 1323793784 DISZOQUOTSCQRR-GFCCVEGCSA-N 323.418 -0.308 30 20 DBED C#CC1CCN(C(=O)C(=O)N2CCC(OCCO)CC2)CC1 1326547500 OUHIBVSKWBVYLM-UHFFFAOYSA-N 308.378 -0.142 30 20 DBED O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1CC(O)(C2CC2)C1 1326725218 RDXUFAGYGALONF-OUKQBFOZSA-N 320.349 -0.321 30 20 DBED C[C@@H](NC(=O)C(=O)NCc1nnn(C)n1)c1ccc(C#N)cc1 1326738425 PNYONOUJRLDREO-SECBINFHSA-N 313.321 -0.425 30 20 DBED C=CC[C@@H](NC(=O)c1cnn(C[C@@H](O)CO)c1)C(=O)OCC 1328662530 WZYQPDTUEVGDRX-VXGBXAGGSA-N 311.338 -0.526 30 20 DBED Cc1c(C(=O)N[C@@](C)(C#N)CN(C)C)nnn1-c1ccn(C)n1 1329595450 BAKUHZYGLKMUTK-AWEZNQCLSA-N 316.369 -0.117 30 20 DBED CN1C(=O)CC[C@H](NC(=O)C(=O)N2CCC(C#N)CC2)C1=O 1332065352 GOJNATWAYDMHKD-JTQLQIEISA-N 306.322 -0.988 30 20 DBED C[C@]1(O)CCN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1 1351857125 UNQRBYANTCUIPO-WFASDCNBSA-N 306.366 -0.832 30 20 DBED C=CCCN(C)C(=O)C(=O)N1CCC[C@H](NS(C)(=O)=O)C1 1351905138 AKOQXCHAWSJDRN-NSHDSACASA-N 317.411 -0.439 30 20 DBED COC(=O)[C@@H](O)CNS(=O)(=O)c1c(C)cc(F)cc1C#N 1364812244 CNPUKLMTYSOEOB-JTQLQIEISA-N 316.310 -0.182 30 20 DBED CN(CCNC(=O)Cn1ncnn1)Cc1cc(C#N)ccc1F 1366528975 KJFSKMVWCLPGCP-UHFFFAOYSA-N 317.328 -0.068 30 20 DBED C[C@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)CN1CCCC1=O 1372823062 IPEULVQRDPHDKJ-SNVBAGLBSA-N 317.349 -0.257 30 20 DBED CC(=O)NCC(=O)NCC1(O)CN(Cc2ccc(C#N)cc2)C1 1380575090 YFUXIBXBFQQQHJ-UHFFFAOYSA-N 316.361 -0.643 30 20 DBED C[C@H](CNC(=O)[C@H](C)C#N)NC(=O)CS(=O)(=O)C(C)(C)C 1392492543 JQLOASGKUMPCOM-NXEZZACHSA-N 317.411 -0.020 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)C1(c2cccnc2)CC1 1410145217 BKJMRZWDQRLENV-AAEUAGOBSA-N 316.361 -0.134 30 20 DBED CCN(CCC#N)C(=O)CNC[C@H](C)NC(=O)c1cncnc1 1422641409 OGGSVKKOJQESPH-LBPRGKRZSA-N 318.381 -0.053 30 20 DBED COCCN(CCNC(=O)c1nnn(C)c1C)C(=O)[C@H](C)C#N 1426054119 RLSSKSZFDWGVLC-SNVBAGLBSA-N 322.369 -0.512 30 20 DBED Cc1cn2nnc(C(=O)N3CCN(CCC#N)CC3)c2c(O)n1 1434296260 YZSLMOQFXWWJOY-UHFFFAOYSA-N 315.337 -0.190 30 20 DBED CC[C@@H](CNC(=O)c1cc(C#N)c[nH]1)NCc1nnnn1C 1443905617 GWUVVEZXEFCDSL-JTQLQIEISA-N 302.342 -0.292 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CN(C)C(=O)c1cnc2n1CCC2 1444680563 ULNROIWHHASXTG-MNOVXSKESA-N 319.365 -0.462 30 20 DBED C[C@@H](CN(C)Cc1nc(=O)n(C)[nH]1)NC(=O)c1cc(C#N)c[nH]1 1445683845 GIZVVWWGCKBFHQ-VIFPVBQESA-N 317.353 -0.442 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]1CN(C)C(=O)CNC(=O)C1CC1 1514539837 GWAWAFWKHXBMSM-PWSUYJOCSA-N 306.366 -0.268 30 20 DBED C#CCN(C)c1nnc(Cc2nn[nH]n2)n1C[C@H]1CCOC1 1519703145 AEMRUOQNFWCHQF-SNVBAGLBSA-N 302.342 -0.512 30 20 DBED C[C@@H](C#N)C(=O)NCCN1CCN(C(=O)[C@@]2(C)CCOC2)CC1 1524095004 QZCLMXLKPNTIAQ-BBRMVZONSA-N 322.409 -0.167 30 20 DBED CC(=O)N1CCCN(c2cnc(C#N)c(-c3nn[nH]n3)n2)CC1 1573441912 PNWBCUFEHAYVPR-UHFFFAOYSA-N 313.325 -0.413 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1[C@@H]2CN(c3ccc(-c4nn[nH]n4)cn3)C[C@@H]21 1573586925 UNOXVRZXWRSTQX-MVVXRAEJSA-N 324.348 -0.028 30 20 DBED N#Cc1cn(CCC(=O)NC2(C(=O)O)CCCC2)c(=O)nc1O 1574248610 LGNUTMWQCPZYEZ-UHFFFAOYSA-N 320.305 -0.276 30 20 DBED CC(C)(C)C(=O)N1CCO[C@H](C(=O)N2CCNC[C@H]2C#N)C1 1575098539 GGLCCGZWAXVBMV-NEPJUHHUSA-N 308.382 -0.416 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](CNCC(=O)NCc2cnn[nH]2)C1 1575176060 DJQTVOKAWZNBFO-WDEREUQCSA-N 319.369 -0.981 30 20 DBED N#CCCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCN2)cc1 1580051957 ULJGCNXVAQHEPD-GFCCVEGCSA-N 322.390 -0.030 30 20 DBED C#CCNCc1cn(C2CN(C(=O)[C@H]3C[C@@H]3C(=O)O)C2)nn1 1588485556 XCZRHAYXFDRMPY-RYUDHWBXSA-N 303.322 -0.895 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N1C[C@@H](C(=O)O)[C@H](C2CC2)C1 1588693390 XRABYBMHHFSTRW-SDDRHHMPSA-N 310.350 -0.127 30 20 DBED CC(C)(C(=O)O)n1cc(NC(=O)N[C@H]2CNC[C@H]2C#N)cn1 1589666468 UUKIQCMBBSTHEV-SCZZXKLOSA-N 306.326 -0.064 30 20 DBED C[C@H](O)[C@@H]1CN(c2cnc(-c3nn[nH]n3)c(C#N)n2)CCO1 1589996658 SIBSRENHXXSQTN-CBAPKCEASA-N 302.298 -0.886 30 20 DBED N#CCNC(=O)CNS(=O)(=O)c1ccc(/C=C/C(=O)O)cc1 1601074613 IXVFBTFPEVFKOZ-ZZXKWVIFSA-N 323.330 -0.298 30 20 DBED C#CCN(CC(=O)O)C(=O)C(=O)Nc1ccc(OC)nc1C 1602679123 KQVWAGVIXUBSAM-UHFFFAOYSA-N 305.290 -0.116 30 20 DBED C#CCN1C[C@H]2[C@H](CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)[C@H]2C1 1602718645 ZBRXNWMVVUIXNO-CNDDSTCGSA-N 311.349 -0.264 30 20 DBED CC#CC[C@@H](CO)NC(=O)C(=O)Nc1cc(C)[nH]c1C(=O)O 1602944997 BCWMXDWUTTYLKM-VIFPVBQESA-N 307.306 -0.150 30 20 DBED CC1(C)C[C@@]1(C(=O)O)C(=O)NCCn1cc(C#N)c(O)nc1=O 1603321471 SCWGYBOFHPVQFS-AWEZNQCLSA-N 320.305 -0.562 30 20 DBED N#Cc1ncc(N2CC[C@H](Cn3ccnn3)C2)nc1-c1nn[nH]n1 1606397718 XIQHUDIVNFCHPO-VIFPVBQESA-N 323.324 -0.354 30 20 DBED C=CCOC[C@H](NC(=O)c1cnc2c(c1)NC(=O)CO2)C(=O)O 1609442919 KQFZDVHZQQOCTJ-JTQLQIEISA-N 321.289 -0.202 30 20 DBED C#CCNC(=O)CN[C@@H](C)CCNC(=O)Cc1c(C)n[nH]c1C 1731764611 URCWMWDQLCFLSJ-NSHDSACASA-N 319.409 -0.197 30 20 DBED CC#CCN(CC)CCCNC(=O)CN1CCCS1(=O)=O 1752188525 CZZFIPOKRZEBAZ-UHFFFAOYSA-N 315.439 -0.127 30 20 DBED C#CCCN1CCN(CCNC(=O)c2ccc(C(N)=O)[nH]2)CC1 1752372588 HYQVEDHPJJPZNN-UHFFFAOYSA-N 317.393 -0.516 30 20 DBED COCC#CCN(C)[C@H]1CCCN(C(=O)CS(C)(=O)=O)C1 1752988535 MUMJBHYJJNBJAN-ZDUSSCGKSA-N 316.423 -0.396 30 20 DBED C#CCOCCC(=O)NCC[C@@H]1CCN(Cc2nnnn2C)C1 1753327930 LFQMHJNKEVBIRF-CYBMUJFWSA-N 320.397 -0.422 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)CCN(C)C(=O)c1[nH]c(O)nc1C 1753855527 BDYILXIFHHLZAZ-LLVKDONJSA-N 321.381 -0.435 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@H](O)CNCc1cnc(C)nc1 1753910433 WSUIRBJZAJWMCJ-UKRRQHHQSA-N 308.382 -0.321 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H](O)CNCc1cc(C)ncn1 1753911917 XOZOOEOOXDGSCP-GXTWGEPZSA-N 306.366 -0.610 30 20 DBED C=CCCO[C@@H](C)C(=O)N(C)C1CN(Cc2nc(=O)n(C)[nH]2)C1 1754572100 SFYULETYPBQDHL-NSHDSACASA-N 323.397 -0.268 30 20 DBED COC[C@H](C)[C@@H](C)C(=O)N(C)C1CN(CC(=O)NCC#N)C1 1754576702 WAORMPXTFLWORX-NWDGAFQWSA-N 310.398 -0.313 30 20 DBED N#CCN1CC(O)(CNC(=O)[C@@H]2Cc3cc(F)ccc3O2)C1 1754775375 OXKVMRNYOCZZMV-ZDUSSCGKSA-N 305.309 -0.184 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)c2nccn2CC)C[C@@H]1C 1755109514 WJZXLRUKGLCJEK-QWHCGFSZSA-N 317.393 -0.298 30 20 DBED C#CCO[C@H](C)C(=O)NC1CC(CNCC(=O)N(C)CC)C1 1755211527 UAVMCZQQZCGSOA-IYXRBSQSSA-N 309.410 -0.013 30 20 DBED C#CCNC(=O)CN(C)[C@H](C)CNC(=O)c1cnn(C)c1CC 1755306899 UGAWPSINRGFPKX-GFCCVEGCSA-N 319.409 -0.218 30 20 DBED C=CCCN1CC(CCO)(NC(=O)[C@@H]2CCN(C)C(=O)C2)C1 1755332872 PLBHFHBXWNWYMB-CYBMUJFWSA-N 309.410 -0.016 30 20 DBED C=CCN1C[C@@H](NC(=O)CC[C@@H]2NC(=O)NC2=O)C(C)(C)C1 1755416273 QGROZEQLJGSHLA-WDEREUQCSA-N 308.382 -0.013 30 20 DBED Cc1nn(C)cc1C(=O)N[C@@H](C)CCCNCC(=O)NCC#N 1755491594 NKZUHALMXSMDPG-NSHDSACASA-N 320.397 -0.144 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H](C)CN(C)C(=O)c1cnc(C)n1C 1755601050 JCMLYJDIRLYQAI-NWDGAFQWSA-N 319.409 -0.083 30 20 DBED C#CCNC(=O)CN[C@@H](CO)CNC(=O)c1cc(C)n(C)c1C 1755646227 LPAGGKDTPHLEJT-CYBMUJFWSA-N 320.393 -0.928 30 20 DBED CN(C[C@@H](O)CNCC#N)C(=O)CCc1ccc(C(N)=O)cc1 1755783167 MCDBZVIJHVIZFK-AWEZNQCLSA-N 318.377 -0.349 30 20 DBED C#CCN(CCNC(=O)[C@H]1CCS(=O)(=O)C1)CCOC 1755839224 KYEKHKRTYCHWBR-LBPRGKRZSA-N 302.396 -0.881 30 20 DBED C=CCCCC(=O)N[C@H](CO)CNC(=O)[C@H]1CCCNC1=O 1756528015 MKFLFADXAUJPKH-RYUDHWBXSA-N 311.382 -0.538 30 20 DBED CN(C(=O)CCn1cnnn1)C1CC(NC(=O)C#CC2CC2)C1 1756748152 UISXUJNKCIHSBS-UHFFFAOYSA-N 316.365 -0.418 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C[C@@H]1O 1757171875 LSAFCDUATXLKOZ-ZSAUSMIDSA-N 318.373 -0.345 30 20 DBED C=CCOCC(=O)N1CC[C@@H]1CN(C)C(=O)C(=O)NCC1CC1 1757302650 XFGRUNIOHBOUGC-CYBMUJFWSA-N 323.393 -0.226 30 20 DBED CO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC#N 1795420794 HDLVVBJUXVTDJT-FMSGJZPZSA-N 309.366 -0.085 30 20 DBED C=CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NC(C)=O 1800535420 OSOPGPKMOBACRB-DNVSUFBTSA-N 323.393 -0.323 30 20 DBED C#CC(=O)N1CC[C@H](CNC(=O)[C@@H](N)CN)[C@@H]1c1cccnc1 1808270894 OGLRAEIEKXEGPR-IPYPFGDCSA-N 315.377 -0.993 30 20 DBED N#CCC(=O)N1CCC(OC2CCN(C(=O)CN)CC2)CC1 1837634263 HIGDOOPOKNGMPQ-UHFFFAOYSA-N 308.382 -0.143 30 20 DBED C=CCC(=O)N1CCCC12CN(C(=O)[C@@H](COC)NC(C)=O)C2 1846376964 AVOVBBGIAGBRPE-CYBMUJFWSA-N 323.393 -0.083 30 20 DBED CC(C)(C#N)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1C[C@H](O)CN1 1847346766 VCQKTUMCVJOHQJ-CYDGBPFRSA-N 320.393 -0.539 30 20 DBED CCN(C[C@@H](C)C#N)C(=O)CN1CCN(C(=O)[C@@H](C)O)CC1 152919732 LYCZPNVDMIUMMT-QWHCGFSZSA-N 310.398 -0.480 30 20 DBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)Cn1cnnn1 160831514 RAJTXEHCOWVYAG-JTQLQIEISA-N 313.325 -0.928 30 20 DBED CC#CCN1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 172755438 JKYAUYKTQXLEBU-GFCCVEGCSA-N 320.436 -0.856 30 20 DBED N#Cc1cnn(C(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1N 249745253 MCOZPBAOGJEINA-LDDIKCJXSA-N 311.301 -0.216 30 20 DBED CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N1C[C@@H](O)[C@H](O)C1 279395880 KQXLDMOSCNNFPE-GHMZBOCLSA-N 320.349 -0.383 30 20 DBED Cc1oc(C(=O)NCC#CCO)cc1S(=O)(=O)N(C)C 282862421 HOCQCJZWTMVKHY-UHFFFAOYSA-N 300.336 -0.436 30 20 DBED O=C(NCC#CCO)[C@@H]1CCCN1S(=O)(=O)c1ccccc1 283745063 PLYBYWQDOMJNET-AWEZNQCLSA-N 322.386 -0.048 30 20 DBED CCc1nc2n(n1)C[C@@H](/N=C(/O)Cn1ncn(C)c1=O)CC2 329247381 RSZATDJQGACKGQ-VIFPVBQESA-N 305.342 -0.293 30 20 DBED O=C(CC/N=C(/O)N1CCn2ccnc2C1)N1CCOCC1 329819822 GOXISKHOECRKJS-UHFFFAOYSA-N 307.354 -0.138 30 20 DBED COC(=O)C[C@@]1(NS(=O)(=O)N(C)C[C@@H](C)C#N)CCOC1 336934330 DRVBCKDTBNECPF-JQWIXIFHSA-N 319.383 -0.366 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)NC(C)(C)CS(C)(=O)=O 337795470 FHEKYSDVJXTFTH-SECBINFHSA-N 311.429 -0.122 30 20 DBED N#CCCCCS(=O)(=O)NCCN1CCCS1(=O)=O 345121693 URJUMGLDBNCELY-UHFFFAOYSA-N 309.413 -0.365 30 20 DBED C=CCN(C)S(=O)(=O)CCCS(=O)(=O)Nc1cn[nH]c1 349530974 FWVXFZUJKWQARE-UHFFFAOYSA-N 322.412 -0.011 30 20 DBED COC[C@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)C(=O)OC 351840368 FEZLNQCZSIDECM-LBPRGKRZSA-N 319.317 -0.408 30 20 DBED N#Cc1cncc(S(=O)(=O)N2CCSC[C@@H]2C(N)=O)c1 352066768 DBHXWYODYHCAAC-SNVBAGLBSA-N 312.376 -0.455 30 20 DBED CCOC(=O)[C@H](CO)NC(=O)COc1ccc(C#N)cc1OC 355746088 FKQUWYXEBYAVSP-NSHDSACASA-N 322.317 -0.014 30 20 DBED C=C[C@H](CO)NC(=O)CNS(=O)(=O)c1cccc(F)c1 356854304 JURFHOAOCASIIS-SNVBAGLBSA-N 302.327 -0.233 30 20 DBED N#Cc1ccc(NC(=O)CN2CC[C@H](S(N)(=O)=O)C2)cc1 357360341 DFBQANWICJRZCR-LBPRGKRZSA-N 308.363 -0.140 30 20 DBED C[C@@H]1C[C@@H](N2CCOCC2)CN1C(=O)NCC(=O)NCC#N 358284565 YKXXJMCXXPBPBE-VXGBXAGGSA-N 309.370 -0.869 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(C(N)=O)cc2F)CCO1 359247409 FORKZWDTUQJKII-VIFPVBQESA-N 320.280 -0.386 30 20 DBED C=CCOC[C@@H](NC(=O)Cn1c(C)cc(O)cc1=O)C(=O)OC 360723044 RKZNPTJODUSQTG-GFCCVEGCSA-N 324.333 -0.277 30 20 DBED C=C(C)CNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 427055843 AVJALAWJUFRAIW-UHFFFAOYSA-N 317.349 -0.351 30 20 DBED N#CCC1(O)CN(C[C@@H](O)CN2C(=O)c3ccccc3C2=O)C1 429638100 YEOFYKWSHOBJFH-LLVKDONJSA-N 315.329 -0.396 30 20 DBED CNS(=O)(=O)CCNC(=O)Nc1cc(C)n(CCC#N)n1 439675861 SZNUMPRQHIBXHA-UHFFFAOYSA-N 314.371 -0.224 30 20 DBED C#CCN1CCN(C(=O)CN2CCNC(=O)[C@@]2(C)CCC)CC1 490721745 YLGMYTATRKHCPH-QGZVFWFLSA-N 320.437 -0.246 30 20 DBED C#C[C@H](NC(=O)CN1CCN(S(C)(=O)=O)CC1)C(C)C 490986000 PHMXJTNMEWNJDQ-LBPRGKRZSA-N 301.412 -0.662 30 20 DBED C#CCONC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O 497170068 VPANQFKUNHTYTJ-UHFFFAOYSA-N 311.338 -0.253 30 20 DBED C[C@@H]1CN(CCNC(=O)C(=O)Nc2ccc(C#N)cn2)CCO1 550365060 WSVPVAIARGESKK-LLVKDONJSA-N 317.349 -0.271 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCc2cc(C)on2)C1=O 557330996 UFYNKYCCWHQLRE-GFCCVEGCSA-N 320.349 -0.155 30 20 DBED C[C@H](O)C(=O)N1CCN(S(=O)(=O)CCC(C)(C)C#N)CC1 566707153 RIBYUENZOGDKKL-NSHDSACASA-N 317.411 -0.219 30 20 DBED C=CCNc1ncc(C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)s1 566984467 KDIYIBRTCUSUKI-VHSXEESVSA-N 321.406 0.125 30 20 DBED Cc1cc(S(=O)(=O)N[C@@]2(C(N)=O)CCOC2)ccc1C#N 567366535 BJSFNLQELDGWKN-ZDUSSCGKSA-N 309.347 -0.211 30 20 DBED CC[C@]1(O)CCCN(S(=O)(=O)N2CCO[C@H](C#N)C2)C1 601506286 DZLSGRHVUZMJDA-NEPJUHHUSA-N 303.384 -0.308 30 20 DBED C[C@H]1CN(C(=O)C(=O)N2CCN(CCC#N)CC2)CC[C@@H]1N 601585687 XOPLSKABXFJNOX-STQMWFEESA-N 307.398 -0.760 30 20 DBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@@H]1CCCC(=O)N1 611406278 HDDBGVAWYNZTDE-NSHDSACASA-N 304.354 -0.077 30 20 DBED Cc1nc2ncnn2c(C)c1CCC(=O)OCC(=O)NCC#N 731236030 ORLOHTMARHXMSD-UHFFFAOYSA-N 316.321 -0.143 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NOCc2cccnc2)C1=O 747169946 NJHYTIHHIYFSBG-UHFFFAOYSA-N 318.289 -0.394 30 20 DBED N#CC1(CS(=O)(=O)NCCC(=O)NC(N)=O)CCCC1 759062101 ADQJRMURJPPQJQ-UHFFFAOYSA-N 302.356 -0.425 30 20 DBED C=CCS(=O)(=O)CCNC(=O)Cn1cc([N+](=O)[O-])nc1C 783544701 AVQDPVPXSHXPOO-UHFFFAOYSA-N 316.339 -0.183 30 20 DBED C=CCS(=O)(=O)CCNC(=O)[C@H]1CCCCN(C)C1=O 821839519 ZUNLCNRQKNDQOZ-LLVKDONJSA-N 302.396 -0.038 30 20 DBED CC1(C)NC(=O)N(CCn2cnc(C#N)c2-c2nn[nH]n2)C1=O 824812084 IPAJQBDSRLFZKC-UHFFFAOYSA-N 315.297 -0.735 30 20 DBED CC#CC[C@H](CO)NC(=O)[C@@H](O)[C@H](O)c1nc2ccccc2[nH]1 844113750 WUMLIUXSEYEGHA-SWHYSGLUSA-N 317.345 -0.152 30 20 DBED Cn1cc(-c2nn(C)cc2C(=O)N[C@@H]2CCCN(O)C2=O)cn1 848133683 FFICGHGITODALX-LLVKDONJSA-N 318.337 -0.069 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N1CCN2CCOC[C@@H]2C1 875595587 CAZCZQXQAXIWJW-KGLIPLIRSA-N 323.393 -0.926 30 20 DBED C#CC[C@@H](CO)NS(=O)(=O)c1c(C)nn(COC)c1C 882341160 HAUPYCLCCNIVGA-NSHDSACASA-N 301.368 -0.234 30 20 DBED C#CCNS(=O)(=O)N1CCN(C[C@](C)(CC)OC)CC1 895917102 BYBSEVNIEZTYSC-ZDUSSCGKSA-N 303.428 -0.113 30 20 DBED C[C@H]1C(=O)N(NC(=O)c2cccc(C#CCO)c2)C(=O)N1C 912817091 NBWXMVLMXRGWPI-JTQLQIEISA-N 301.302 -0.042 30 20 DBED C#CCN1CCC[C@H](NC(=O)[C@H]2CCc3nnnn3CC2)C1 923553781 BOKCLIPJOURXKR-STQMWFEESA-N 302.382 -0.161 30 20 DBED C#CCN1CCC[C@@H](NC(=O)[C@H]2CC(=O)N(CCOC)C2)C1 923588158 HYZANKSTENWHDX-UONOGXRCSA-N 307.394 -0.305 30 20 DBED C=CCn1cc(C(=O)N(C)[C@@H]2CCN(C(=O)CC(N)=O)C2)nn1 936965367 HEKXTEOQJZCJLD-SNVBAGLBSA-N 320.353 -0.988 30 20 DBED Cc1ccnc(C(=O)NC[C@@H]2CN(C(=O)[C@@H](C)C#N)CCO2)n1 944567576 GZOIMVHQYVVZDZ-CMPLNLGQSA-N 317.349 -0.098 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@@H]2CCN2C(=O)[C@H]2CCNC2=O)c1 949301963 NCSFJYGEQIPYAY-QWRGUYRKSA-N 315.333 -0.647 30 20 DBED CC#CCN1CCN(C(=O)[C@H]2CCc3nnnn3CC2)CC1 950618209 VASAKLRTNZZEFJ-ZDUSSCGKSA-N 302.382 -0.207 30 20 DBED CN1C[C@@H](C(=O)N[C@@H]2CCCN(C(=O)C#CC3CC3)C2)CC1=O 950758086 DQDUWUNIQJPSMA-UONOGXRCSA-N 317.389 -0.015 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1cnn[nH]1 950986728 UXUINVZYZQKCLM-AAEUAGOBSA-N 316.365 -0.767 30 20 DBED C[C@H](C#N)C(=O)N1CC(N(C)C(=O)[C@@H]2CCc3nn[nH]c3C2)C1 954831160 IMQHUMZGQHUXEP-NXEZZACHSA-N 316.365 -0.262 30 20 DBED C=CCCN1C[C@@H](O)[C@H](CNC(=O)c2ccnc3[nH]nnc23)C1 958248084 FHHRLZWDXKVCEW-ZYHUDNBSSA-N 316.365 -0.049 30 20 DBED COc1ccnc(OC)c1C(=O)NC[C@@H]1CN(CC#N)C[C@@H]1O 958249098 RQQYBQSDODDANF-MNOVXSKESA-N 320.349 -0.355 30 20 DBED CNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)c3ccc(C#N)[nH]3)[C@H]2C1 958590047 KCENHHKEGAGWFF-LSJOCFKGSA-N 301.350 -0.319 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(CC1)C[C@H]2NC(=O)Cn1nccn1 963895700 YPUHTDLSRGOLNQ-NWDGAFQWSA-N 316.365 -0.065 30 20 DBED CCn1nncc1C(=O)NC[C@@H]1COCCN1C(=O)[C@@H](C)C#N 964177934 IHGSGACLWZFMEP-WDEREUQCSA-N 320.353 -0.585 30 20 DBED C[C@H](C#N)C(=O)N1CCOC2(C1)CN(C(=O)[C@@H]1CCOC1)C2 965466788 QIHILDIGRSYINW-VXGBXAGGSA-N 307.350 -0.378 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2CN(C(=O)C(N)=O)C[C@H]2C)nc1 966758010 XANZYHCANTUQBO-SKDRFNHKSA-N 300.318 -0.875 30 20 DBED CCn1ncc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)c1C 970045944 WOFOKQRFRVZFNY-BIMULSAOSA-N 319.365 -0.327 30 20 DBED C#CCCN1CC([C@@H](C)NC(=O)[C@@H]2COCCN2C(C)=O)C1 970902258 SKBJLFFKUOKEMH-DOMZBBRYSA-N 307.394 -0.307 30 20 DBED C#CCCN1C[C@H]2CC[C@H]1CN2C(=O)Cn1nc(C)n(C)c1=O 972070630 VWCHMLMHOPFXFL-UONOGXRCSA-N 317.393 -0.411 30 20 DBED C=CCN1C[C@H]2CC[C@H]1CN2C(=O)CC[C@H]1NC(=O)NC1=O 972090892 CMHVCNLZOIRMKT-QJPTWQEYSA-N 306.366 -0.164 30 20 DBED COc1cc(C(=O)N2CC[C@]3(CN(CC#N)CCO3)C2)nn1C 972460220 CKLPIWBNKMYXOP-HNNXBMFYSA-N 319.365 -0.131 30 20 DBED CN(CC#N)[C@H]1CCN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 972569478 VWQOVQADSGRPQK-JTQLQIEISA-N 315.337 -0.873 30 20 DBED C#CCCN1CCO[C@]2(CCN(C(=O)c3cnn(C)n3)C2)C1 972598273 CXSFIYLGBNCRIL-OAHLLOKOSA-N 303.366 -0.245 30 20 DBED C#CCN1C[C@H]2[C@H](CNC(=O)c3ccoc3CC(N)=O)[C@H]2C1 978654183 NIUDEMKEFMSZAJ-XYYAHUGASA-N 301.346 -0.152 30 20 DBED C=CCCn1cc(C(=O)NCC2[C@H]3CN(CCO)C[C@H]23)nn1 978811346 BRIJBJCHIGPGSL-CHWSQXEVSA-N 305.382 -0.246 30 20 DBED O=C(C#CC1CC1)N1CCCN(CCN2CCNC2=O)CC1 981125362 FCRRFIGJYIVMQZ-UHFFFAOYSA-N 304.394 -0.041 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](CNC(=O)C2CC(=O)NC(=O)C2)C1 983216801 QUXKKTVUGMTKEJ-VHSXEESVSA-N 320.349 -0.836 30 20 DBED N#Cc1cc(C(=O)NC2CN(C(=O)[C@H]3CCNC(=O)C3)C2)c[nH]1 990931012 SPDBYHGLEDMXMT-VIFPVBQESA-N 315.333 -0.647 30 20 DBED C#CCN1CC[C@@H](n2cc(CNC(=O)[C@H]3CCOC3)nn2)C1 999964317 YUONQGTZSQEDKN-GXTWGEPZSA-N 303.366 -0.189 30 20 DBED C=CC(C)(C)C(=O)N1CCN(C(=O)Cn2cnnc2O)CC1 1011028682 KZMYKBIIURPIBZ-UHFFFAOYSA-N 307.354 -0.133 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C(=O)c2cc3n(n2)CCO3)CC1 1011282354 JLJHKLFZXVJHHS-SNVBAGLBSA-N 303.322 -0.280 30 20 DBED O=C1NCC[C@@H]1C(=O)N1CCC2(CN(C(=O)C#CC3CC3)C2)C1 1019011230 DJBRIAPCIIUUNB-ZDUSSCGKSA-N 315.373 -0.403 30 20 DBED C#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2c(O)nnc2O)C1 1021722758 QDPWPHAFCZKVQB-NWDGAFQWSA-N 319.365 -0.365 30 20 DBED C#CCN1CCC(C(=O)N[C@H]2C[C@@H](N[C@H](C)C(N)=O)C2)CC1 1023128280 XHPDLYRZRPYSDT-BNOWGMLFSA-N 306.410 -0.558 30 20 DBED C#CCNC1CCC(NC(=O)CN2CCCS2(=O)=O)CC1 1026504010 RMRPZFORJJHYEK-UHFFFAOYSA-N 313.423 -0.328 30 20 DBED C#CCN1CCC(C(=O)NC2CN([C@H]3CCCNC3=O)C2)CC1 1031437051 UEKFUBKKQVIHIB-HNNXBMFYSA-N 318.421 -0.589 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)c2cn(CC(=O)N(C)C)nn2)C1 1033689588 GLLIAWHCGVPNKH-LBPRGKRZSA-N 320.397 -0.301 30 20 DBED C=CCn1cc(C(=O)N2CCC[C@@H]2CN[C@@H]2CCNC2=O)nn1 1035070386 HSLXLLFNWUXQPR-VXGBXAGGSA-N 318.381 -0.453 30 20 DBED C#CCN1CCO[C@H](CNC(=O)[C@H]2CCc3nnc(C)n3C2)C1 1035614195 NKQNRKCNRFEANP-UONOGXRCSA-N 317.393 -0.401 30 20 DBED C=CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)Cn1[nH]cc2c(=O)ncnc1-2 1037626464 HBKRLERXHDBEAI-CDMKHQONSA-N 314.349 -0.554 30 20 DBED C#CCN[C@@H]1CCN(C(=O)Cn2c(O)nnc2O)C[C@@H]1CC 1037970884 VMPDGGDXZVKYQV-WDEREUQCSA-N 307.354 -0.461 30 20 DBED C=CCN1CC[C@H](N2CC[C@H]2CNC(=O)c2[nH]nnc2C)C1=O 1038580824 CARHHMKLPSNGIH-RYUDHWBXSA-N 318.381 -0.296 30 20 DBED C#CCN1[C@H]2CCC[C@H]1CN(C(=O)CCn1ncn(C)c1=O)C2 1039790051 HFKNLJXWSZEKBB-KBPBESRZSA-N 317.393 -0.330 30 20 DBED CCn1nncc1C(=O)N1CC[C@](O)(CNC(=O)[C@@H](C)C#N)C1 1040759647 CGQCUOXSQZAQRR-HZMBPMFUSA-N 320.353 -0.849 30 20 DBED C[C@@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)C(=O)C(C)(C)C)C1 1040763414 OLVQVAHYUQEMMA-ZUZCIYMTSA-N 309.366 -0.159 30 20 DBED C[C@@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)c2cncnc2O)C1 1040767486 YCJRVEDYFMYBRB-LKFCYVNXSA-N 319.321 -0.965 30 20 DBED Cc1c[nH]cc1C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1O 1041051021 MGEREQTYCNAAMK-VXGBXAGGSA-N 312.333 -0.036 30 20 DBED N#Cc1nccc(N2C[C@@H](O)[C@H](NC(=O)CN3CCCC3)C2)n1 1041053294 RLPWFJIVNMWQMW-VXGBXAGGSA-N 316.365 -0.890 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)c2cc(C)on2)C1 1041368270 CRLCQRQINSSOIF-UHFFFAOYSA-N 321.333 -0.674 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)CC[C@H]2CCCO2)C1 1041591863 VXIZEAVQVSJYAM-NWDGAFQWSA-N 309.366 -0.205 30 20 DBED COC[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2cc(C#N)c[nH]2)C1 1042030701 DTMBFJZGQXLRDS-SNVBAGLBSA-N 320.349 -0.528 30 20 DBED C=C(C)CCC(=O)N1CC(O)(CNC(=O)[C@@H](C)n2cncn2)C1 1042649132 ZTGMRRDFWCRKLD-GFCCVEGCSA-N 321.381 -0.115 30 20 DBED C=CCN1CC[C@H](N2CC(N(C)C(=O)[C@@H]3COC(=O)N3)C2)C1=O 1042675849 AOMHPCQZMAYTND-RYUDHWBXSA-N 322.365 -0.976 30 20 DBED CO[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1NC(=O)[C@@H]1CCOC1 1042779604 RUJZNYBFUWEZHI-IJLUTSLNSA-N 317.349 -0.295 30 20 DBED Cc1nccn1CC(=O)NCC1(O)CN(C(=O)C#CC(C)C)C1 1043129591 CAYJANDURJUSKX-UHFFFAOYSA-N 318.377 -0.460 30 20 DBED C=CC(C)(C)CC(=O)NCC1(O)CN(C(=O)c2cn(C)nn2)C1 1043205511 CYYIYLULHCYVQD-UHFFFAOYSA-N 321.381 -0.280 30 20 DBED C=CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)c2nonc2C)C1 1043577308 VRQJSIMEZWYUTF-SNVBAGLBSA-N 324.337 -0.728 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)[C@@H](CC)N(C)C)C1 1043676965 BVESIKMFVDQHCX-GFCCVEGCSA-N 313.398 -0.781 30 20 DBED Cn1cc(C(=O)N[C@@H]2CN(c3ncccc3C#N)C[C@@H]2O)cn1 1043856403 UJTXOMZYODVECT-OLZOCXBDSA-N 312.333 -0.334 30 20 DBED N#Cc1nccnc1N1C[C@H](O)[C@H](NC(=O)[C@H]2C[C@@H]2C(F)F)C1 1043923653 RBYIOCWAGWGSIQ-HLFFCZDVSA-N 323.303 -0.085 30 20 DBED Cc1c[nH]nc1C(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@@H]1O 1043929262 NIRWUIJRRNPYPT-NEPJUHHUSA-N 312.333 -0.036 30 20 DBED CC#CCCCC(=O)NCC1(O)CN(C(=O)CNC(=O)CC)C1 1044994307 OUOUVIJWVLZCSC-UHFFFAOYSA-N 323.393 -0.604 30 20 DBED N#Cc1cncc(N2CC[C@@H]3CCN(C(=O)C(N)=O)C[C@@H]32)n1 1045195198 KWDLCNBMWNQYGD-ONGXEEELSA-N 300.322 -0.739 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)Cc2ncc[nH]2)C1 1045286407 LMZCHBQRLHHETD-UHFFFAOYSA-N 306.366 -0.146 30 20 DBED N#CCN1CC[C@]2(CCCCN(C(=O)[C@@H]3CNC(=O)N3)C2)C1 1045961703 AEGRKRSYXHSVIA-SWLSCSKDSA-N 305.382 -0.104 30 20 DBED C#CCN1CC[C@H](N2CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)C1 1046079664 ZNTJNIRWWFXXKH-KBPBESRZSA-N 304.394 -0.883 30 20 DBED C#Cc1ccc(C(=O)N(C)[C@H]2CN(CC(=O)NC)C[C@@H]2O)cc1 1047480150 IMHWWKZLGOISON-GJZGRUSLSA-N 315.373 -0.469 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccnc(N(C)C)c2)C1 1047552813 XYPWGATUMAFKLO-KBPBESRZSA-N 302.378 -0.102 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCCN2C(N)=O)C1 1047592601 XQQNKVQYRFXNIF-IHRRRGAJSA-N 322.409 -0.554 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cccn3c(O)nnc23)C1 1047597502 RDBUVRLIODVHRN-RYUDHWBXSA-N 317.349 -0.262 30 20 DBED COCCC(=O)N(C)[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1O 1047983392 DLUKYPCSCVPISA-STQMWFEESA-N 320.349 -0.433 30 20 DBED C=CCCN1CCOC[C@H]1CNC(=O)[C@@H]1CCS(=O)(=O)C1 1051012118 TYJSHVZNMQMMLV-CHWSQXEVSA-N 316.423 -0.186 30 20 DBED CCn1nncc1CNC[C@H]1CN(C(=O)[C@@H](C)C#N)CCO1 1051495475 VEBMINJROAZEDX-AAEUAGOBSA-N 306.370 -0.225 30 20 DBED C#CCN1CCN([C@H]2CCN(C(=O)c3n[nH]c(C)c3O)C2)CC1 1052014792 KMLFFTQBDYLFSB-ZDUSSCGKSA-N 317.393 -0.111 30 20 DBED C#CCN1CC2(C1)CN(C(=O)[C@]1(CC)CCNC1=O)CCO2 1053292049 RZBVTMQUQIDQSW-MRXNPFEDSA-N 305.378 -0.551 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)C[C@@H]1CCC(=O)N1)CCO2 1053468890 DIEQOXKUSSAJGY-ZDUSSCGKSA-N 305.378 -0.408 30 20 DBED N#CCN1CC2(C1)CN(C(=O)Cn1ccccc1=O)CCO2 1053529338 VRLXWYJASKLAKN-UHFFFAOYSA-N 302.334 -0.715 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)C[C@@H]3CCC(=O)N3C)CO2)C1 1053887695 ODFBOUDMVYCPFR-KGLIPLIRSA-N 319.405 -0.020 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)c3ccn4nnnc4c3)CO2)C1 1053890935 MQXILDCKQHIEDR-LBPRGKRZSA-N 312.333 -0.669 30 20 DBED C=C(Cl)CN1CC2(C[C@@H](NC(=O)[C@@H]3CCC(=O)N3)CO2)C1 1053986734 SDYGHSPQISUGHN-MNOVXSKESA-N 313.785 -0.023 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)c1n[nH]c(C)c1O 1057354056 LJFCZFGNFOCBOZ-UHFFFAOYSA-N 322.365 -0.222 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)[C@@H]1C[C@H]1C(=O)OC 1057439209 BPAAMVDJWSGJQG-CHWSQXEVSA-N 324.377 -0.464 30 20 DBED CC(C)(C(N)=O)C(=O)N1CCC[C@H](N=c2cc[nH]c(C#N)n2)C1 1057710063 SBZSRFBHCUERJV-JTQLQIEISA-N 316.365 -0.315 30 20 DBED Cc1cc(C#N)nc(N2CC[C@@H](NC(=O)[C@@H]3COCCO3)C2)n1 1058304854 KXKUBPWBCBCRGW-YPMHNXCESA-N 317.349 -0.233 30 20 DBED Cc1nnc(CC(=O)N[C@@H]2CCN(c3ccnc(C#N)n3)C2)o1 1058346914 FZGYZMXAUHEHJM-SNVBAGLBSA-N 313.321 -0.023 30 20 DBED Cc1nc(CC(=O)N[C@@H]2CCN(c3ccc(C#N)nn3)C2)n[nH]1 1058351866 DZUUPIKKOUJSSR-LLVKDONJSA-N 312.337 -0.288 30 20 DBED C[C@]1(C(=O)N[C@@H]2CCN(c3cnc(C#N)cn3)C2)CNC(=O)C1 1058493786 CNPDBVADXBQRHP-MEBBXXQBSA-N 314.349 -0.431 30 20 DBED N#Cc1cnc(N[C@H]2CCN(C(=O)Cn3cnnn3)C2)c(F)c1 1058836912 NARORMNEOOLRGB-JTQLQIEISA-N 316.300 -0.208 30 20 DBED CN1CCO[C@@H](C(=O)N[C@H]2C[C@H](N=c3cc[nH]cc3C#N)C2)C1 1059170883 WPIKHERIBFAFAF-UMVBOHGHSA-N 315.377 -0.235 30 20 DBED C=CCOCC(=O)NCC[C@H]1CCN(C(=O)CC(=O)NC)C1 1059523826 WJYHIZYPGKUTFF-LBPRGKRZSA-N 311.382 -0.320 30 20 DBED C=CCCC(=O)NC[C@@H]1COCCN1C(=O)Cn1cnnc1O 1061407291 OXQVHQJXGBILTC-LLVKDONJSA-N 323.353 -0.707 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)CCc1cn[nH]c1 1061618590 GSPSCDJWPCYQNS-YPMHNXCESA-N 319.365 -0.154 30 20 DBED Cc1cncn1CC(=O)NC[C@@H]1COCCN1C(=O)[C@H](C)C#N 1061711304 HBYVBTPCGBXXCE-DGCLKSJQSA-N 319.365 -0.305 30 20 DBED N#Cc1ccc(N2CC[C@@H](CNC(=O)[C@H]3CNC(=O)N3)C2)cn1 1061717783 JNRYGIBGVOUTDU-GXFFZTMASA-N 314.349 -0.423 30 20 DBED C=CCCCC(=O)N1CCOC[C@H]1CNC(=O)[C@@H]1CCC(=O)N1 1061738474 PTKVMXDRBIMCER-OLZOCXBDSA-N 323.393 -0.035 30 20 DBED C=CCCCC(=O)NC[C@H]1COCCN1C(=O)CNC(C)=O 1061829741 XWZLMRNNUBZEOV-ZDUSSCGKSA-N 311.382 -0.178 30 20 DBED C[C@@H](Nc1ccc(C#N)nn1)C1CCN(C(=O)C(N)=O)CC1 1061874746 JWVWXHKVGILGOI-SECBINFHSA-N 302.338 -0.127 30 20 DBED C=CCOCC(=O)NCC1(NC(=O)Cn2cnnn2)CCC1 1062702663 ZIIZNMAIZUQOOL-UHFFFAOYSA-N 308.342 -0.969 30 20 DBED CN(C(=O)c1cn(C)nn1)[C@@H]1CCN(c2ccnc(C#N)n2)C1 1062925021 OKWYTFMETRPMGJ-SNVBAGLBSA-N 312.337 -0.172 30 20 DBED CN(C(=O)[C@H]1C[C@H]1C(N)=O)[C@H]1CCN(c2nccnc2C#N)C1 1063031685 CTFMAVXPOQDOEC-AXFHLTTASA-N 314.349 -0.493 30 20 DBED N#Cc1ccc(NC[C@H]2CCCN2C(=O)[C@@H]2CCNC2=O)nn1 1063538769 DWLFZJLAVAFCJO-VXGBXAGGSA-N 314.349 -0.113 30 20 DBED CC(C)C#CC(=O)N1CCO[C@H](CNC(=O)C(C)(C)C(N)=O)C1 1065128700 IEKKUMNRXONISU-GFCCVEGCSA-N 323.393 -0.499 30 20 DBED CC(C)C#CC(=O)N1CCO[C@@H](CNC(=O)CC(=O)N(C)C)C1 1065133516 XCOSLPFFGQHDTN-ZDUSSCGKSA-N 323.393 -0.532 30 20 DBED Cn1cc(C(=O)N[C@]2(C)CCN(c3ccnc(C#N)n3)C2)nn1 1065246350 CTEQWPWQLODJGM-CQSZACIVSA-N 312.337 -0.124 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCO[C@H](CNC(=O)c2cn[nH]c2)C1 1065277676 AOSMEBIWTUNNSE-WCQYABFASA-N 322.365 -0.042 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCCN(C)C(=O)[C@H]1COCCN1C 1067233412 LKFZLITZLYSFFL-QWHCGFSZSA-N 310.398 -0.216 30 20 DBED C=C[C@@H](CC)CC(=O)N1CCOC2(C1)CN(C(=O)CC(N)=O)C2 1068438192 OPPAEAGPCMCQAZ-LBPRGKRZSA-N 323.393 -0.096 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2n[nH]cc2F)C1 1070018575 NESINWKMRGARDM-MNOVXSKESA-N 303.301 -0.571 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@@H](NC(=O)C(F)F)C1 1070636268 QFKZQRYHYOQUON-SECBINFHSA-N 301.293 -0.502 30 20 DBED C=C(C)CN1C[C@@H]2OC(=O)N([C@H]3CCN(C(=O)C(N)=O)C3)[C@@H]2C1 1070917810 KXFUGQFWSUTOQT-TUAOUCFPSA-N 322.365 -0.846 30 20 DBED C#CCCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)CS(C)(=O)=O)C1 1072000243 TXTLQDJWJWORFO-NEPJUHHUSA-N 314.407 -0.202 30 20 DBED C=C(C)CN1CCO[C@@H]2CCN(C(=O)CS(C)(=O)=O)C[C@@H]21 1074179223 YGRCNOPMZXMHLP-QWHCGFSZSA-N 316.423 -0.091 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)c3cnn(CC)n3)C[C@H]21 1074236110 MPCYDGKVGOBBDJ-ZIAGYGMSSA-N 303.366 -0.154 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)c3cn(C)nc3OC)C[C@H]21 1074315181 RRQMQTNNVIRCLC-KGLIPLIRSA-N 318.377 -0.023 30 20 DBED Cc1ncc(C(=O)N2CCC(O)(CNC(=O)[C@H](C)C#N)CC2)[nH]1 1074518529 LRQPIIDDLHTPCF-SNVBAGLBSA-N 319.365 -0.039 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCN(C(=O)COC)[C@H](C)C1 1074941441 KORIDLMPBYMOPB-VXGBXAGGSA-N 309.366 -0.732 30 20 DBED C[C@@H](CCNC(=O)[C@@H]1COCCO1)NC(=O)c1c[nH]c(C#N)c1 1075698132 VDQGTVGPLCYUPC-GWCFXTLKSA-N 320.349 -0.074 30 20 DBED C[C@@H](CCNC(=O)c1c[nH]c(C#N)c1)NC(=O)c1cnn[nH]1 1076220176 RPIZLNIKVNTWMZ-QMMMGPOBSA-N 301.310 -0.057 30 20 DBED C#CCO[C@@H](C)C(=O)NCC[C@H](C)NC(=O)Cn1cncn1 1076510481 MVFGZDWZQMRVOU-RYUDHWBXSA-N 307.354 -0.673 30 20 DBED C[C@@H](CCNC(=O)CC(=O)N(C)C)NC(=O)c1ccc(C#N)[nH]1 1076568749 WQLFLOKUWLHULD-JTQLQIEISA-N 319.365 -0.011 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN([C@H](C)C(=O)NC)C[C@H]2O)cc1 1077493949 RXHIHICSMYDTKD-KCPJHIHWSA-N 315.373 -0.423 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)c2c(C)c[nH]c2CC(N)=O)C1 1077707650 UHFNEUQXGOWKPL-VXGBXAGGSA-N 306.366 -0.688 30 20 DBED C[C@@H](CCNC(=O)[C@H](C)C#N)NC(=O)C(=O)NCC(F)(F)F 1078136189 GTSACWZKZKSZPR-SFYZADRCSA-N 322.287 -0.164 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCN2C(=O)C(C)C)C1 1078198193 BNVLVHFETZMGGU-MGPQQGTHSA-N 307.394 -0.572 30 20 DBED O=C(C#CC1CC1)N1CCCO[C@@H](CNCc2nc(O)n[nH]2)C1 1078398830 ULJFWPHJDPSUER-LBPRGKRZSA-N 319.365 -0.369 30 20 DBED C#CCOCCC(=O)N1CC(N(CC)C(=O)[C@H](C)NC(N)=O)C1 1079668271 XVSYASDZDVGDIZ-NSHDSACASA-N 324.381 -0.858 30 20 DBED CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)c2cn(C)c(O)n2)C1 1080414330 JDBOBAALVGDGSH-VIFPVBQESA-N 305.338 -0.042 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CN(CC(=O)N(C)C)C[C@H]2C)nn1 1080577636 IHDNEYXVXOLHTG-VXGBXAGGSA-N 320.397 -0.398 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)CCCF)C[C@H]1O 1081340667 GMSFWUYIJRYKIS-NWDGAFQWSA-N 302.346 -0.126 30 20 DBED C=CCCC(=O)N1C[C@H](CNC(=O)Cc2cc[nH]n2)[C@@H](O)C1 1081369448 XJCZCMMQPYJCAM-AAEUAGOBSA-N 306.366 -0.146 30 20 DBED C=C(C)CCC(=O)N1C[C@H](CNC(=O)c2ncn(C)n2)[C@@H](O)C1 1081452842 LYMBOMZPXRQZSQ-RYUDHWBXSA-N 321.381 -0.280 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(C(=O)c2cocn2)C[C@@H]1O 1081471985 ULKGJKYTBUORNP-YPMHNXCESA-N 303.318 -0.363 30 20 DBED C=CCCC(=O)N1C[C@H](CNC(=O)C(=O)NCC2CC2)[C@@H](O)C1 1081697620 FTEUWALTHGQMGA-STQMWFEESA-N 323.393 -0.586 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)c2cccn3nnnc23)C1 1083491301 XEBFQLDSPVHODR-NEPJUHHUSA-N 302.338 -0.525 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCCCS2(=O)=O)C1 1083522120 UPGZWBBPUKOMRW-FRRDWIJNSA-N 314.407 -0.862 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)[C@H]2Cc3cccc(F)c3O2)C1 1084073009 DYOCHBPWAGVEJD-FRRDWIJNSA-N 305.309 -0.186 30 20 DBED C#CCCN1CC[C@@H]2CN(C(=O)c3cnc(O)n(C)c3=O)[C@@H]2C1 1084569792 ISCJYLCBMVYSTD-DGCLKSJQSA-N 316.361 -0.345 30 20 DBED CC#CCN1CC[C@H](NC(=O)Cc2cn(CC)nn2)[C@@H](O)C1 1090440994 IGAJWXNBIRCIKI-KBPBESRZSA-N 305.382 -0.585 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)c2cnc(O)n(C)c2=O)[C@@H](O)C1 1090487756 ZLDUNWWLCBQMRE-NEPJUHHUSA-N 322.365 -0.773 30 20 DBED N#CCN1CC[C@H](NC(=O)c2ccc3nonc3c2)[C@H](O)C1 1090537700 BQRJPYSLOBQXQE-WCQYABFASA-N 301.306 -0.089 30 20 DBED C[C@@H]1[C@@H](NC(=O)CNC(N)=O)CCN1c1cncc(C#N)n1 1091924839 ORTXVOKNYBANNS-SCZZXKLOSA-N 303.326 -0.900 30 20 DBED C=CCCC(=O)N[C@@H]1CCN(c2ccc3nnnn3n2)C[C@H]1O 1092153067 BWJYXLNXHNIWBU-GHMZBOCLSA-N 317.353 -0.459 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCN(c2nccnc2F)C[C@H]1O 1092163771 GWRVCOGYHFLUAF-VXGBXAGGSA-N 322.340 -0.289 30 20 DBED CN(C)CCC(=O)N[C@@H]1CCN(c2ccc(C#N)nn2)C[C@H]1O 1092172270 CWEVJGSNXGVEOV-CHWSQXEVSA-N 318.381 -0.644 30 20 DBED C=CCN1C[C@@H]2CN(C(=O)[C@H]3CCS(=O)(=O)N3)C[C@]2(C)C1 1092282379 QVVSKESMJZRTBC-BZPMIXESSA-N 313.423 -0.356 30 20 DBED C#CCN1C[C@@H](C)[C@H](CNC(=O)c2cn(C)c(=O)nc2O)C1 1093191910 UKNQEMYIDYWUBJ-GHMZBOCLSA-N 304.350 -0.583 30 20 DBED N#CCNC1CCC2(CC1)CN(C(=O)[C@H]1COC(=O)N1)CCO2 1093396334 IJIWIDUYURYTSW-MQYJIDSJSA-N 322.365 -0.252 30 20 DBED CN1CCOC[C@@H]1C(=O)NCCNc1ncc(C#N)cc1F 1093554995 VRRPVJOQZFUAFM-GFCCVEGCSA-N 307.329 -0.049 30 20 DBED CCN1CCO[C@H](C(=O)NCCN=c2cc[nH]cc2C#N)C1 1093654768 OAXUIJRHEJMZOQ-AWEZNQCLSA-N 303.366 -0.376 30 20 DBED Cc1nn(CC(=O)NCCNc2ccc(C#N)nc2)c(=O)n1C 1093785657 YMBHULBIQPZLOZ-UHFFFAOYSA-N 315.337 -0.615 30 20 DBED CC#CCN1CC(n2cc(CNC(=O)[C@H]3CCCN3C)nn2)C1 1094278477 IZXNMKRUMITMCE-OAHLLOKOSA-N 316.409 -0.132 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)C3CCN(C)CC3)CC2=O)C1 1094777082 NHOMCPSQGYNNLF-AWEZNQCLSA-N 318.421 -0.637 30 20 DBED N#CCN1CC(N2C[C@@H](NC(=O)c3ccnnc3)CC2=O)C1 1094790031 BKDJSOFQLMTKJX-NSHDSACASA-N 300.322 -0.985 30 20 DBED C#CCCN1CC(N2C[C@@H](NC(=O)c3cccnn3)CC2=O)C1 1094803114 GYHPDXIAZBKGDD-LBPRGKRZSA-N 313.361 -0.485 30 20 DBED N#Cc1cccnc1NCCCNC(=O)[C@@H]1CC(=O)NC(=O)N1 1094812976 ZYITZBANBFVXSI-JTQLQIEISA-N 316.321 -0.530 30 20 DBED CN(CCCNC(=O)CS(C)(=O)=O)c1cnc(C#N)cn1 1095504609 DMJFPWOKDHLHFG-UHFFFAOYSA-N 311.367 -0.665 30 20 DBED CC(=O)NCC(=O)N[C@H]1CCCN(c2cnc(C#N)cn2)C1 1096133200 QWUMVOANIFXQNX-NSHDSACASA-N 302.338 -0.431 30 20 DBED C[C@@H](C(=O)N[C@H]1C[C@H](Nc2ccc(C#N)nn2)C1)S(C)(=O)=O 1097113164 JLBHFPZQMLRVAL-LSJOCFKGSA-N 323.378 -0.160 30 20 DBED C=CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H]1CCN(C)S1(=O)=O 1098016855 IJLFETFMILUVOC-FVCCEPFGSA-N 313.423 -0.072 30 20 DBED C#CCOCCC(=O)NC[C@H](C)Nc1ccc2nnnn2n1 1098059427 RGOPQQGKPDNWMD-JTQLQIEISA-N 303.326 -0.524 30 20 DBED CC#CCN(CCO)C1CCN(C(=O)c2cnnn2C)CC1 1098359492 QZSQMPQTDUSTSG-UHFFFAOYSA-N 305.382 -0.263 30 20 DBED COCC#CCN1CC(C)(C)CC[C@H]1CNC(=O)CNC(N)=O 1098893884 CDFQVMHWCFHEHG-ZDUSSCGKSA-N 324.425 -0.089 30 20 DBED C[C@@H](CCNC(=O)[C@H]1CCNC1=O)Nc1ccc(C#N)nn1 1099617139 QUKSPNKUXOGGBT-GXSJLCMTSA-N 302.338 -0.209 30 20 DBED CC(C)(C)CC(=O)N[C@@H]1CCN(CC(=O)NCC#N)C[C@@H]1O 1099681482 QTUJSXSXLWNRQP-NEPJUHHUSA-N 310.398 -0.386 30 20 DBED CC(C)C#CC(=O)N[C@H]1CCN(CCS(C)(=O)=O)C[C@@H]1O 1099820937 NDEKLRPRUWHYME-STQMWFEESA-N 316.423 -0.758 30 20 DBED CC#CCN1CC[C@H](NC(=O)CN(C)C(=O)C2CC2)[C@@H](O)C1 1099864930 VUZLLVDJYKJNQO-KBPBESRZSA-N 307.394 -0.571 30 20 DBED C#CCCN1CC[C@@H](NC(=O)COCc2nccn2C)[C@H](O)C1 1099887697 JBNOPBXNVAURLD-ZIAGYGMSSA-N 320.393 -0.489 30 20 DBED CC#CCN1CC[C@@H](NC(=O)COCc2nccn2C)[C@H](O)C1 1099888329 TTXHREFRCCOXJY-ZIAGYGMSSA-N 320.393 -0.489 30 20 DBED CC#CCN1CC[C@H](NC(=O)CCc2cnn(C)n2)[C@H](O)C1 1100009231 VCEBLBYOAIWEFG-UONOGXRCSA-N 305.382 -0.678 30 20 DBED CC#CCN1CC[C@H](NC(=O)COC2CCN(C)CC2)[C@H](O)C1 1100050062 BLHDFVNABZSLRQ-JKSUJKDBSA-N 323.437 -0.328 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2ccc(O)nc2)[C@H](O)C1 1100094927 UVKHBSUSMIGSCI-UONOGXRCSA-N 319.361 -0.398 30 20 DBED COCC(=O)N(C)CC(=O)NCCN(C)c1ccncc1C#N 1100375098 RNDHWHROTVSZFE-UHFFFAOYSA-N 319.365 -0.390 30 20 DBED CCN(CCNC(=O)[C@H]1CCNC1=O)c1nccnc1C#N 1100694634 GFLDDJLNUSKHQD-JTQLQIEISA-N 302.338 -0.573 30 20 DBED C=CCNC(=O)CNC1CC(CNC(=O)CCCCC(N)=O)C1 1100843014 WWESURRJNOVLDE-UHFFFAOYSA-N 324.425 -0.181 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)CN(C)C(C)=O)c3nccn32)C1 1101610833 XWKDKMUMHZXVKF-CYBMUJFWSA-N 315.377 -0.434 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)[C@H](C)CC(N)=O)c3nccn32)C1 1101635403 IMISLEMFXPLQQO-NEPJUHHUSA-N 315.377 -0.400 30 20 DBED C=CCN1C[C@@H](C)[C@H](CNC(=O)CN2CCC(=O)NC2=O)C1 1102498936 OOLAXOSSJLYTAD-VXGBXAGGSA-N 308.382 -0.202 30 20 DBED CC[C@@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)Nc1cncc(C#N)n1 1103305859 OWAIQKSIUFQHAV-GDPRMGEGSA-N 302.338 -0.224 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)[C@H]1CN(C)CCO1 1103889829 IYCXXOHHXODTJL-NWDGAFQWSA-N 318.381 -0.735 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](C)CNC(=O)[C@@H]2COC(=O)N2)n1 1103945350 PMWATLQUIHWUJP-KWQFWETISA-N 318.337 -0.071 30 20 DBED CNC(=O)NCC(=O)NC[C@@H](C)CNc1nc(C)cc(C#N)n1 1104246652 ZKKMLHZNNFCOJI-SECBINFHSA-N 319.369 -0.250 30 20 DBED C=C(C)CNCc1cn(C2CN(C(=O)C(C)(C)C(N)=O)C2)nn1 1105262072 DVKRMESFAAXLQL-UHFFFAOYSA-N 320.397 -0.161 30 20 DBED C#CCNCc1cn(C2CN(C(=O)c3cncnc3O)C2)nn1 1105266562 YTAKPJTUMDRZLK-UHFFFAOYSA-N 313.321 -0.806 30 20 DBED CN(CCN(C)c1cncc(C#N)n1)C(=O)[C@@H]1COCCN1C 1105373410 VQVAKWMLBQTWSV-ZDUSSCGKSA-N 318.381 -0.427 30 20 DBED C#CCN1CC(OC2CCN(C(=O)CNC(=O)CC)CC2)C1 1105698155 GDACMTHIQAWBKA-UHFFFAOYSA-N 307.394 -0.162 30 20 DBED Cc1c(C(=O)NC[C@H](O)CNc2ccc(C#N)cn2)nnn1C 1105762846 WHYYSKKOGILNBB-LLVKDONJSA-N 315.337 -0.407 30 20 DBED Cc1cc(C(=O)NC[C@H](O)CNc2cncc(C#N)n2)cnn1 1105812738 GGKXVAVLXCJTAM-GFCCVEGCSA-N 313.321 -0.351 30 20 DBED Cc1cc(=NC[C@H](O)CNC(=O)c2[nH]cnc2C)c(C#N)c[nH]1 1105888262 OSWSFGUIEYAXSZ-LBPRGKRZSA-N 314.349 -0.082 30 20 DBED N#Cc1cccnc1NC[C@H](O)CNC(=O)C[C@@H]1CCNC1=O 1106002067 CMQXTIVXXORIMN-CMPLNLGQSA-N 317.349 -0.632 30 20 DBED Cn1cncc1C(=O)NC[C@H](O)CNc1nccnc1C#N 1106011373 OAKNEWVTUHULJI-SECBINFHSA-N 301.310 -0.715 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)[C@H](C)NC(C)=O 1106675207 MRVLXYDMKVMCDJ-JTQLQIEISA-N 304.354 -0.445 30 20 DBED N#Cc1cccnc1NC/C=C/CNC(=O)[C@@H]1CNC(=O)N1 1107489302 BCNZBSBMRGFXGZ-GXFZAYBSSA-N 300.322 -0.281 30 20 DBED CC(=O)N1CC[C@@](C)(C(=O)NC[C@]2(C)CN(CC#N)CCO2)C1 1108329806 VUFDOQZRPKLYSB-HZPDHXFCSA-N 322.409 -0.024 30 20 DBED C#CCCN1CCO[C@@](C)(CNC(=O)CS(=O)(=O)CC)C1 1108419775 QUNIJORPZYIDJP-AWEZNQCLSA-N 316.423 -0.349 30 20 DBED C=CCCOCC(=O)N[C@H]1CC(=O)N(C2CN(CCF)C2)C1 1108594658 WXBDBIWUOPLAHP-LBPRGKRZSA-N 313.373 -0.050 30 20 DBED NC(=O)NC(=O)CN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C#CC1CC1)C2 1108679113 USGMMDYJUQQQJK-AVGNSLFASA-N 318.377 -0.436 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)N1CCC1 1109266275 SCISMWULFCTUTI-XGUBFFRZSA-N 319.405 -0.022 30 20 DBED CCC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC#N)S(N)(=O)=O 1109560803 SGFDLVRNOIJLMU-NOOOWODRSA-N 314.411 -0.311 30 20 DBED CN(C)C(=O)CC(=O)N[C@@]1(C)CCN(c2ccc(C#N)nn2)C1 1110817725 JJLYEBASYMDHAF-HNNXBMFYSA-N 316.365 -0.088 30 20 DBED Cn1cc(C(=O)N(CCO)CCNc2nccnc2C#N)cn1 1111417466 LOEXMKLLLQWTPX-UHFFFAOYSA-N 315.337 -0.372 30 20 DBED Cn1nnc(C(=O)NCC2(Nc3nccnc3C#N)CCC2)n1 1111887472 WJLBXXDLEYMRDC-UHFFFAOYSA-N 313.325 -0.364 30 20 DBED CO[C@@H](C)C(=O)N1C[C@@H]2CCC[C@]2(CNCC(=O)NCC#N)C1 1112274532 KLWLKARFWDAERT-XEZPLFJOSA-N 322.409 -0.121 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(c2cnc(C#N)cn2)C[C@H]1O 1112719393 ANMOQVHUJCLDIU-GXTWGEPZSA-N 313.361 -0.079 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)c2cnnn2C)CC1 1112816708 ZLPQFMXLVOLGIT-NSHDSACASA-N 306.370 -0.736 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)c2oncc2C)CC1 1113490076 XUCOYULIUWWVBY-GFCCVEGCSA-N 304.350 -0.121 30 20 DBED CNC(=O)NCCC(=O)NC[C@@H](C)N(C)c1ccnc(C#N)n1 1113597444 WAVXEBPOTOCHQP-SNVBAGLBSA-N 319.369 -0.392 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)COCC3CC3)[C@@H]2C1 1113926577 CXPFTEJIJCDOSQ-CHWSQXEVSA-N 307.394 -0.238 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3cc(C)[nH]n3)[C@H]2C1 1113948100 MDYMQTROEKDHGI-YABSGUDNSA-N 303.366 -0.320 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)c3cnc(C)s3)[C@@H]2C1 1113983479 OTWFPPSJWWKHGD-GHMZBOCLSA-N 318.402 -0.139 30 20 DBED CSC[C@@H](C)C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1114041221 IFBNWCHPDYYBJG-DCQANWLSSA-N 310.423 -0.328 30 20 DBED Cc1nn(C)cc1C(=O)NC1[C@H]2CN(CC(=O)NCC#N)C[C@H]12 1114053763 FUQNZDJBRVWBBC-RYUDHWBXSA-N 316.365 -0.972 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)C[C@](C)(O)C3CC3)[C@@H]2C1 1114149153 PQQZLTRMTYITIK-XNJGSVPQSA-N 319.405 -0.667 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@@H]2CN(CC[C@H]3CCOC3)C[C@@H]12 1114159538 HGVWADLVXHLCJR-BFHYXJOUSA-N 319.405 -0.401 30 20 DBED C=C(C)CCN1C[C@H]2[C@H](NC(=O)CCn3ncn(C)c3=O)[C@H]2C1 1114619349 UUYRKNWMMARJIF-NHAGDIPZSA-N 319.409 -0.016 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)CN3CCC[C@H]3C)[C@H]2C1 1114832415 QZVDPUFZIABSBA-WVZRYYJFSA-N 320.437 -0.181 30 20 DBED C=CCCN1C[C@H]2C(NC(=O)[C@H](C)NS(C)(=O)=O)[C@@H]2C1 1114888658 LLOLZMPHRLIKGD-HBNTYKKESA-N 301.412 -0.453 30 20 DBED CC(=O)NCC(=O)NCCOCCN(C)c1cncc(C#N)n1 1115160817 IDKTYVJSKFHFFP-UHFFFAOYSA-N 320.353 -0.947 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)CNC(C)(C)C)CC1 1116054294 NGJZQGJNERKEKT-UHFFFAOYSA-N 308.426 -0.342 30 20 DBED C=CCS(=O)(=O)CCNC(=O)c1cc(=O)c(OC)co1 1116904949 JNEYFTGZPWZFFW-UHFFFAOYSA-N 301.320 -0.021 30 20 DBED CN(C)C(=O)CCNC(=O)C(=O)NCc1cccc(C#N)c1 1117051630 YAVFAIMUVQNFKB-UHFFFAOYSA-N 302.334 -0.231 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)NC[C@@H]2CCCCN2C2CC2)CCO1 1117611645 GMKFVYOWDHTISC-KBPBESRZSA-N 320.393 -0.130 30 20 DBED C[C@H]1C(=O)N(C)CCN1C(=O)C(=O)N1CCC[C@H](CC#N)C1 1118508529 FGOVVKNGTCCLIL-NWDGAFQWSA-N 306.366 -0.172 30 20 DBED C[C@H](CS(C)(=O)=O)N(C)C(=O)C(=O)N1CCC[C@H](C#N)C1 1120336948 UQVNFKDKXJDWFN-GHMZBOCLSA-N 315.395 -0.360 30 20 DBED CC(C)[C@@H](O)C(=O)NC1CC2(CC(NCC(=O)NCC#N)C2)C1 1121046379 IOGIWEXQLZBBFO-VTUJEPCUSA-N 322.409 -0.340 30 20 DBED N#Cc1cnc(N[C@@H](CO)CNC(=O)Cn2cccn2)c(F)c1 1121055439 MQMNLVFMFMTMSO-LLVKDONJSA-N 318.312 -0.122 30 20 DBED CCn1cc(C(=O)NC[C@@H](CO)N=c2cc[nH]cc2C#N)cn1 1121228277 FIOBEDCHYSYUGD-ZDUSSCGKSA-N 314.349 -0.206 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@H](CO)Nc1ncnc2[nH]cnc12 1121405112 KQYUAIMATDCZOK-XPTSAGLGSA-N 320.353 -0.431 30 20 DBED Cc1nsc(N[C@H](CO)CNC(=O)c2cnn(C)n2)c1C#N 1121771887 YUBUGOUKLLBBHI-QMMMGPOBSA-N 321.366 -0.346 30 20 DBED COC[C@H](C)CC(=O)NC[C@H](CO)Nc1cnc(C#N)cn1 1121985889 VAPAWKULPVFZDO-ZYHUDNBSSA-N 307.354 -0.090 30 20 DBED N#Cc1c[nH]ccc1=N[C@H](CO)CNC(=O)CO[C@H]1CCOC1 1122068057 AJWJKRQUEIEWEZ-STQMWFEESA-N 320.349 -0.930 30 20 DBED COc1nc(C(=O)NC[C@H](CO)Nc2cncc(C#N)n2)co1 1122286075 IUBDXKWMWUQWBX-SECBINFHSA-N 318.293 -0.452 30 20 DBED C[C@@H]1[C@H](C(=O)NC[C@H](CO)Nc2cnc(C#N)cn2)CCN1C 1122753544 ZHJSATXKMIREFC-RAIGVLPGSA-N 318.381 -0.423 30 20 DBED CNC(=O)NCC(=O)N1C[C@H](N=c2cc[nH]c(C#N)n2)C[C@@H]1C 1123317968 CYMGAEGIRWXVAK-VHSXEESVSA-N 317.353 -0.900 30 20 DBED C=C[C@@](C)(O)CC(=O)N(C)C[C@@H](O)CNc1ccc(C#N)nn1 1124266330 GZQDBBWIDMDVJC-SWLSCSKDSA-N 319.365 -0.093 30 20 DBED C=C[C@](C)(O)CC(=O)N(C)C[C@H](O)CNc1nccnc1C#N 1124267778 YVJAWFDRUFUVMB-ABAIWWIYSA-N 319.365 -0.093 30 20 DBED CN(C[C@@H](O)CNc1cnc(C#N)cn1)C(=O)c1cncnc1 1124328774 BKZXLTSXMZGVPL-LBPRGKRZSA-N 313.321 -0.317 30 20 DBED CCCN(C)CC(=O)N(C)C[C@H](O)CNc1ccc(C#N)nn1 1124441810 LQAQKNJGVDHSKW-CYBMUJFWSA-N 320.397 -0.079 30 20 DBED CN(C)CCC(=O)N(C)C[C@H](O)CNc1nccnc1C#N 1124710000 XBOHQNUWPQQMOY-LLVKDONJSA-N 306.370 -0.469 30 20 DBED CN(C[C@@H](O)CNc1ccc(C#N)cn1)C(=O)[C@H]1C[C@H]1C(N)=O 1124770513 YOCZELSPSFGHTB-TUAOUCFPSA-N 317.349 -0.694 30 20 DBED Cc1c[nH]c(C(=O)N(C)C[C@@H](O)CNc2cncc(C#N)n2)n1 1124828061 HWYHEPWMXBSGMY-NSHDSACASA-N 315.337 -0.075 30 20 DBED CCS(=O)(=O)NCCNCCNC(=O)c1c[nH]c(C#N)c1 1125995002 RKQOUWCHQUFAPA-UHFFFAOYSA-N 313.383 -0.855 30 20 DBED C#CCCCCC(=O)NCc1cnn2c1CN(CC(N)=O)CC2 1128312119 IQDSFZKBVCORRV-UHFFFAOYSA-N 317.393 -0.006 30 20 DBED COCC#CCNCCNC(=O)c1c[nH]c2ccncc2c1=O 1128367835 ULLZLLGMKZRIIY-UHFFFAOYSA-N 314.345 -0.108 30 20 DBED C=CCOCCN1C[C@H](n2ccnn2)[C@H](NC(=O)CCOC)C1 1128627928 RYOOHUHWAWFWRS-KGLIPLIRSA-N 323.397 -0.141 30 20 DBED C=C(C)CN1C[C@H](n2ccnn2)[C@H](NC(=O)CC(=O)NC)C1 1128939355 MSHSOWUCNGXJKG-NEPJUHHUSA-N 306.370 -0.668 30 20 DBED C=C(C)CCN1C[C@H](n2ccnn2)[C@H](NC(=O)CC(=O)NC)C1 1128939658 WRMBVUNEZPJBOM-OLZOCXBDSA-N 320.397 -0.278 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(CC#CC)C[C@@H]1n1ccnn1 1128988983 JNPJRXCBOPKSHT-KFWWJZLASA-N 315.377 -0.319 30 20 DBED C=CCN1CC[C@]2(C1)CN(C(=O)CCNC(N)=O)C[C@@H](C)O2 1131696833 BLPOPRMDPKJYDT-DOMZBBRYSA-N 310.398 -0.077 30 20 DBED Cc1c(C(=O)N[C@@H](C)C[C@H](C)NCC(=O)NCC#N)cnn1C 1133708243 RQNDQEZSNNUNFM-QWRGUYRKSA-N 320.397 -0.145 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)c1cnns1 1133801641 ARIMINVPADOERH-NXEZZACHSA-N 309.395 -0.226 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)Cn1nccc1C 1135572072 QUDBGERDEWLNTH-STQMWFEESA-N 319.409 -0.186 30 20 DBED C=CCCN[C@H](C)C[C@H](C)NC(=O)CN1C(=O)C(=O)N(C)C1=O 1135593639 SLKDZWAZEYIEFD-MNOVXSKESA-N 324.381 -0.144 30 20 DBED C=CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)CCn1cnnn1 1135758998 FOTKHZXDSLXZOU-NEPJUHHUSA-N 323.401 -0.762 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)[C@H](C)OCC#C)C2 1147531035 WMLDEQBSKYAZJC-AWEZNQCLSA-N 317.389 -0.692 30 20 DBED N#CCNC(=O)CN1CCC2(C1)CN(C(=O)[C@@]13COC[C@@H]1C3)C2 1147598440 USZGVOFGSLYQGD-LRDDRELGSA-N 318.377 -0.803 30 20 DBED C=CCNC(=O)CN1CCCO[C@H](CNC(=O)CCOC)C1 1148970058 SZTNSMBBFJZVLR-CYBMUJFWSA-N 313.398 -0.468 30 20 DBED N#Cc1ccccc1CN1CCCO[C@@H](CNC(=O)C(N)=O)C1 1150212616 UASPAVDOVYUWGY-AWEZNQCLSA-N 316.361 -0.249 30 20 DBED C#CCN1CCC(CCOC)(NC(=O)[C@@H]2COCCN2C)CC1 1151075385 WMQIUQVSKLJAGO-HNNXBMFYSA-N 323.437 -0.063 30 20 DBED CNC(=O)NCC(=O)NC1(CCOC)CCN(CC#N)CC1 1151155883 UBNFCSDMYPEAHA-UHFFFAOYSA-N 311.386 -0.574 30 20 DBED C#CCCN(CC)[C@H](C)CNC(=O)CCn1ncn(C)c1=O 1154448679 XWSOMEQGCBXZDE-CYBMUJFWSA-N 307.398 -0.178 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)[C@@H]2CN(C)CCO2)C1=O 1156145994 RSNAXHIRKNRBAD-KBPBESRZSA-N 324.425 -0.800 30 20 DBED C[C@@]1(C(=O)NCCCNCC(=O)NCC#N)C[C@H]2CC[C@H]1O2 1158122756 WDBCYLCPWHJNGR-LALPHHSUSA-N 308.382 -0.320 30 20 DBED C#CCNC(=O)CNCCCNC(=O)C[C@@H]1C[C@H]2CC[C@H]1O2 1159768920 DFQZKEKJBBGZKG-BFHYXJOUSA-N 307.394 -0.211 30 20 DBED N#CCN1CC=C(CCNC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 1161343716 QGYJUPCUZFVSAQ-NSHDSACASA-N 305.338 -0.754 30 20 DBED N#CCNC(=O)CNCCCNC(=O)c1cnn(CCF)c1 1161589739 VOTWCYQCMZDWJS-UHFFFAOYSA-N 310.333 -0.798 30 20 DBED C#CCNC(=O)CNCC1(CCNC(=O)[C@@H]2CCCO2)CC1 1163304746 UAYOTFUQYYYJLB-ZDUSSCGKSA-N 307.394 -0.209 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@H]1CCc2cccnc21 1165237416 KTPPLLIFLDOHMP-AWEZNQCLSA-N 314.389 -0.043 30 20 DBED C#CCNCC1(CCNC(=O)C2CC3(C2)NC(=O)NC3=O)CC1 1167438421 UQPZUXMDBUSIIM-UHFFFAOYSA-N 318.377 -0.516 30 20 DBED C=CCCn1cc(C(=O)NCCCN[C@@H]2CCNC2=O)nn1 1167990788 BXNSXCZSKWHAPI-LLVKDONJSA-N 306.370 -0.548 30 20 DBED COCC#CCN1CCO[C@@H]2CCN(C(=O)c3cc[nH]n3)C[C@@H]21 1176918571 XFJHZOQONWUYBZ-LSDHHAIUSA-N 318.377 -0.025 30 20 DBED C=CCOCC(=O)N1CC[C@@H](NCC(=O)N2CCOCC2)C1 1181644447 OKDPIAMHZCDKLM-CYBMUJFWSA-N 311.382 -0.762 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@@H](NCC#CCOC)C1 1183353945 HZJUSEHURKNKEQ-CVEARBPZSA-N 303.406 -0.076 30 20 DBED N#CCNC(=O)CN[C@@H]1CCN(C(=O)Cc2ccc(F)cn2)C1 1183700374 FYYLNDQSDZEUAL-CYBMUJFWSA-N 319.340 -0.407 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2ncc(OC)cn2)C1 1184116591 BAYIEJRUEJVRJJ-LLVKDONJSA-N 317.349 -0.961 30 20 DBED C#CCCN[C@@H]1CCN(C(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 1184719886 ARUDVFJYUSWNGU-LLVKDONJSA-N 314.353 -0.479 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)COc2cnn(C)c2)C1 1185183719 SWGUWWWZNNDLSK-GFCCVEGCSA-N 321.381 -0.708 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)Cc2cnc[nH]2)C1 1185924428 AROZACQVZNZKEW-NWDGAFQWSA-N 305.382 -0.167 30 20 DBED N#CCNC(=O)CN[C@@H]1CCN(C(=O)c2cc3c([nH]2)CCC3)C1 1187011954 RSBLXBLNVFOSQO-GFCCVEGCSA-N 315.377 -0.053 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)[C@@H](CC)N(C)C)[C@@H]2C1 1188314552 LPMSAIAYBOZZTC-RRFJBIMHSA-N 320.437 -0.391 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)CNC(=O)C2CC2)C1 1189030893 FURXIBXPWMRGLT-CYBMUJFWSA-N 322.409 -0.653 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC[C@@H](N(C)Cc2nnn(C)n2)C1 1189918435 QIMMLJQMGKSUQZ-RISCZKNCSA-N 308.386 -0.430 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)[C@@H](C)CC(N)=O)C1 1191735012 JJMFXQUPUATXKG-NWDGAFQWSA-N 310.398 -0.667 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(Cc2nn(CC)nc2C)C[C@H]1O 1191777262 GTCROWIHXXTNAF-ZIAGYGMSSA-N 323.397 -0.530 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2nccnc2C)C[C@H]1O 1192878556 IBYANDJUGUENTH-HUUCEWRRSA-N 318.377 -0.514 30 20 DBED CN(CC(=O)NCC#N)[C@@H]1CCN(C(=O)Cc2ccco2)C1 1192976873 GUVIHIZKIPMLMS-GFCCVEGCSA-N 304.350 -0.005 30 20 DBED C=C[C@@](C)(CCOC)C(=O)N[C@@H]1CN(CCCO)C[C@H]1O 1195020557 MLXOZRSMPNCZBO-NFAWXSAZSA-N 300.399 -0.241 30 20 DBED N#CCNC(=O)CN1CCCN(C(=O)Cc2ccon2)CC1 1195403450 BBMVJTQWHZENFI-UHFFFAOYSA-N 305.338 -0.609 30 20 DBED CN1CCCC[C@H]1C(=O)N1CCCN(CC(=O)NCC#N)CC1 1196294800 CBVGCLHLVBBOLM-AWEZNQCLSA-N 321.425 -0.355 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)CCc2nc[nH]n2)CCCO1 1200207720 VNWYFUDAMLZOJH-CYBMUJFWSA-N 305.382 -0.032 30 20 DBED C#CCNC[C@@H]1CN(C(=O)[C@H]2CCCCC(=O)N2)CCCO1 1201388820 HFHPZTKBXRFDRX-ZIAGYGMSSA-N 307.394 -0.115 30 20 DBED C#CCNC1CCN(C(=O)CN(C)S(=O)(=O)CC)CC1 1203144257 ZGIAZCIXZHIFDB-UHFFFAOYSA-N 301.412 -0.518 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)C[C@H]2CCOC2)CC1 1204859046 LUZYVKBCJJZFOR-OAHLLOKOSA-N 321.421 -0.009 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)C2=COCCO2)C1 1207141756 BKMJQAZGVFCGGS-LBPRGKRZSA-N 309.366 -0.243 30 20 DBED CCN1CCOC[C@H]1C(=O)N[C@@H]1CN(CC#CCOC)C[C@H]1C 1207784280 HVQFJNIMYVKIFQ-OAGGEKHMSA-N 323.437 -0.207 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)Cc2cnc[nH]2)C1 1209835390 AKTSYJDPCZVWBN-LBPRGKRZSA-N 303.366 -0.718 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)c2cn(CC)nn2)C1 1210368848 JCAYPOVXQZWLKG-GFCCVEGCSA-N 318.381 -0.758 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)[C@H](C)CCOC)[C@H](C)C1 1211145790 QHOYIEFPSJFXRI-MGPQQGTHSA-N 309.410 -0.155 30 20 DBED CNC(=O)NC(=O)[C@H](C)N[C@@H]1CN(C(=O)C#CC(C)C)C[C@H]1C 1214578397 NFJRGQMLEDLVLG-FRRDWIJNSA-N 322.409 -0.074 30 20 DBED CCCCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H](C)C#N 1217533469 WKAMWMHVYYKVOB-HZSPNIEDSA-N 322.409 -0.026 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2cc(C)on2)C[C@@H]1O 1219602967 MSOZHHBICKECGA-YUTCNCBUSA-N 307.350 -0.317 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2csnn2)C[C@@H]1O 1219605648 YOONBUHNMZUEHY-JLLWLGSASA-N 310.379 -0.762 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)COc2c(C)nn(C)c2C)C1 1219643144 HYSOBHJSZPHLGT-OLZOCXBDSA-N 306.366 -0.790 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)COc2cnn(C)c2)C1 1220225287 JMXCTBFKAUHLRD-NEPJUHHUSA-N 314.773 -0.287 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1CN(CCOC)C[C@@H]1O 1220488420 ZEXSMXLLOWULPF-MCIONIFRSA-N 313.398 -0.735 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)CNC(=O)c2cccs2)C1 1220904355 FUIUOAAMWVXDLW-MNOVXSKESA-N 309.391 -0.175 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CN(CC(=O)NC2CC2)C[C@@H]1O 1221143365 BQZMRGNEDGXROH-UHTWSYAYSA-N 311.382 -0.983 30 20 DBED C#CCCN1CC[C@@H]2CN(C(=O)COCc3nncn3C)[C@@H]2C1 1221910493 FIACSOBJFCIGJR-ZIAGYGMSSA-N 317.393 -0.112 30 20 DBED COCC#CCN1CCC(CNC(=O)[C@@H]2CC[C@@H]2C(N)=O)CC1 1224013990 OXYXSIXDYPXTTK-LSDHHAIUSA-N 321.421 -0.024 30 20 DBED Cc1cc(CC(=O)NC2CCN(CC(=O)NCC#N)CC2)no1 1226618002 UUACOPDGWCBGLL-UHFFFAOYSA-N 319.365 -0.254 30 20 DBED C#CCCN1CC[C@@H]1CN(C)C(=O)Cn1ccc(=O)n(C)c1=O 1235007800 RJRCMGXRJTUTAA-CYBMUJFWSA-N 318.377 -0.897 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)c2cccc[n+]2[O-])CC1 1251810531 HTHDDCAHBDHVPF-UHFFFAOYSA-N 316.361 -0.783 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccc(C)n2C)C1=O 1318461464 QKKMSYCWWFYINX-UHFFFAOYSA-N 318.333 -0.073 30 20 DBED C#CCOCCN(C)[C@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 1319772715 CLYQPQNFRZLHCT-CHWSQXEVSA-N 316.423 -0.398 30 20 DBED C#CCOCCNC(=O)C(=O)NC[C@@H]1CCCN(C(C)C)C1 1323698446 CQEZJBGBHSLRRW-AWEZNQCLSA-N 309.410 -0.011 30 20 DBED Cc1nn(C)c2[nH]c(=O)c(CCC(=O)NCC#CCO)c(C)c12 1324555394 SFFQQXLWSFLPKA-UHFFFAOYSA-N 316.361 -0.077 30 20 DBED COCCN1CC[C@H](NC(=O)C(=O)N2CCC(CC#N)CC2)C1 1326491572 KUHNGGFOSDAUAI-AWEZNQCLSA-N 322.409 -0.024 30 20 DBED COCCn1cc(NC(=O)NCC(=O)NCC#N)ccc1=O 1326622799 HCGAJLZQRCMHJJ-UHFFFAOYSA-N 307.310 -0.744 30 20 DBED CCS(=O)(=O)CCNC(=O)NC1CCN(CC#N)CC1 1326932215 UVYJPRQQDYVHDK-UHFFFAOYSA-N 302.400 -0.292 30 20 DBED COC(=O)[C@@H]1CCN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)[C@H]1C 1327039356 MTMCMLALQJXWNF-RWSFTLGLSA-N 323.349 -0.727 30 20 DBED C=CCN(C(=O)C(=O)NCc1cc(C(N)=O)no1)[C@@H](C)COC 1328057904 ZLOMQNDKXZIQNF-VIFPVBQESA-N 324.337 -0.561 30 20 DBED C#CC1CCN(C(=O)C(=O)N2CCN(C(C)=O)C[C@H]2C)CC1 1328425333 IFIVPVCSLKEMCR-GFCCVEGCSA-N 305.378 -0.063 30 20 DBED C#CCCCCNC(=O)C(=O)N[C@H]1CCN(S(C)(=O)=O)C1 1328931399 YPBRBDZTVNMRTL-NSHDSACASA-N 315.395 -0.944 30 20 DBED CC[C@H]1C(=O)N(CC)CCN1C(=O)C(=O)N1CCO[C@H](C#N)C1 1331198089 SYWPJWVXAUUSDZ-NEPJUHHUSA-N 322.365 -0.793 30 20 DBED O=C(NCC#CCO)N1CCC(C(=O)N2CCOCC2)CC1 1332369397 YDAKXUICSYVSCJ-UHFFFAOYSA-N 309.366 -0.738 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N[C@@H]1COCC[C@H]1OC 1334359872 JUWCARJJIVPALA-YNEHKIRRSA-N 312.366 -0.549 30 20 DBED CN1CCC(C#N)(NC(=O)CCn2cc[nH]c(=O)c2=O)CC1 1338975528 FQJUAYMYYWJGHJ-UHFFFAOYSA-N 305.338 -0.969 30 20 DBED C#CCOCCn1nnnc1N1CCC[C@H](OCCOC)C1 1352537987 LQCJEVYMVSKONA-ZDUSSCGKSA-N 309.370 -0.045 30 20 DBED Cc1nc(C)c(C(=O)NCCn2cc(C#N)c(O)nc2=O)[nH]1 1363129660 UXQRSZXRLNWNPM-UHFFFAOYSA-N 302.294 -0.409 30 20 DBED Cc1c(C#N)c(=O)n(CC2CCS(=O)(=O)CC2)c(=O)n1C 1363187825 AIQNDLXPPWCAMX-UHFFFAOYSA-N 311.363 -0.448 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)NC[C@H]1CCS(=O)(=O)C1 1363926843 KRWIPNNUXASJOJ-NXEZZACHSA-N 309.413 -0.653 30 20 DBED Cc1[nH]nc(NC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)c1C#N 1364041966 HFUFLTFZZIENJS-SNVBAGLBSA-N 304.354 -0.062 30 20 DBED C[C@@H](CNC(=O)C(C)(C)S(C)(=O)=O)NC(=O)[C@H](C)C#N 1373127508 SRVJMTJPRCSPCM-BDAKNGLRSA-N 303.384 -0.410 30 20 DBED CN(CCNC(=O)CCc1cnn[nH]1)C(=O)c1cc(C#N)c[nH]1 1373706006 WWHJEPLSGLWEJP-UHFFFAOYSA-N 315.337 -0.175 30 20 DBED CCCN(CCNC(=O)[C@H]1CC(=O)N(C)C1)C(=O)[C@@H](C)C#N 1374136209 OVQVKEZXQRMHIV-RYUDHWBXSA-N 308.382 -0.021 30 20 DBED CCCN(CCNC(=O)C1(NC(N)=O)CC1)C(=O)[C@H](C)C#N 1387423230 HTGAMKPXYOBARF-SNVBAGLBSA-N 309.370 -0.298 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1cnn(CC2CC2)c1 1389131386 VRXRYPFERCBAGC-MFKMUULPSA-N 319.365 -0.340 30 20 DBED C[C@H](CNC(=O)c1ccoc1CC(N)=O)CNC(=O)[C@@H](C)C#N 1391331527 NTMFOQXBEURGFV-UWVGGRQHSA-N 320.349 -0.051 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)CN(C)c1ccccc1 1392124636 CCOHUZKLQMEYJR-GXTWGEPZSA-N 318.377 -0.124 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CCN(C(=O)Cn2ccccc2=O)C1 1397647014 ADEDOUSEEHPEBG-OLZOCXBDSA-N 316.361 -0.027 30 20 DBED COCCN(CCNC(=O)[C@H]1CC(=O)N(C)C1)C(=O)[C@H](C)C#N 1405761814 VFTLCLNWOLKCJE-NEPJUHHUSA-N 324.381 -0.784 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC(NC(=O)CO[C@H]3CCOC3)C2)c1 1409051759 LLWYWHVWLUBOKV-LBPRGKRZSA-N 318.333 -0.368 30 20 DBED CN(CCS(N)(=O)=O)C(=O)NCC1(C#N)CCOCC1 1414736273 RRLHZDGJYNQHLR-UHFFFAOYSA-N 304.372 -0.763 30 20 DBED C[C@H](CNC(=O)[C@H]1CCC(=O)N1C)NC(=O)c1cc(C#N)c[nH]1 1416798948 TUDCDLYAJGZDKA-BXKDBHETSA-N 317.349 -0.258 30 20 DBED C[C@H](C#N)C(=O)NCC1CN(CC(=O)NCc2cccnc2)C1 1419009960 IDOZGJBJYOVPBR-GFCCVEGCSA-N 315.377 -0.095 30 20 DBED C=C(Cl)CN1CC(O)(CNC(=O)CO[C@@H]2CCOC2)C1 1421436232 PXWLRJCOYDSNFN-LLVKDONJSA-N 304.774 -0.293 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H](C)CNC(=O)c1ccc2nnnn2c1 1424202812 CIJHFWJQYCHHJT-NXEZZACHSA-N 315.337 -0.139 30 20 DBED C[C@@H](C#N)C(=O)NCCN1CCN(C(=O)c2cncnc2)CC1 1427702694 LAPVLANYBWMCQP-LBPRGKRZSA-N 316.365 -0.490 30 20 DBED C[C@H](C#N)C(=O)NC[C@@](C)(NC(=O)c1c[nH]c(=O)cn1)C1CC1 1432891947 ZUUTZIFANPCSFK-RFAUZJTJSA-N 317.349 -0.056 30 20 DBED C[C@H](O)C[C@H]1CCCCN1C(=O)Cn1cc(C#N)c(O)nc1=O 1467730068 JGIYQQZDMMOMIS-CMPLNLGQSA-N 320.349 -0.027 30 20 DBED Cn1cc(C(=O)[C@@H](C#N)C(=O)NC2CCCC2)c(O)nc1=O 1524677373 CXGKFPAWCXIJIZ-SECBINFHSA-N 304.306 -0.133 30 20 DBED COCC[C@H](N)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 1573975447 LIAWEKNIVCRURQ-ZDUSSCGKSA-N 320.397 -0.387 30 20 DBED C=CCNS(=O)(=O)c1ccccc1N1CC(O)(C(=O)O)C1 1588849500 VBCDLADLWQRAMZ-UHFFFAOYSA-N 312.347 -0.213 30 20 DBED C=CCn1cc(C(=O)OCCc2cn(CC(=O)O)nn2)nn1 1588909099 JAMAWEHRIRMADU-UHFFFAOYSA-N 306.282 -0.460 30 20 DBED N#Cc1nc(N[C@@H]2CC[C@@H](O)[C@@H](O)C2)cnc1-c1nn[nH]n1 1592708066 RVNBRQIEFPRBAY-VDAHYXPESA-N 302.298 -0.785 30 20 DBED N#Cc1ncn(CC(=O)NCCc2ccc(-c3nn[nH]n3)cc2)n1 1592709423 DJHWWOOYOBNEQK-UHFFFAOYSA-N 323.320 -0.311 30 20 DBED N#CCN(CCC(=O)O)S(=O)(=O)c1ccc(C(N)=O)cc1 1601073433 VBQNCPNIPAGWRF-UHFFFAOYSA-N 311.319 -0.226 30 20 DBED CO[C@@]1(C(=O)O)CCN(S(=O)(=O)c2ccc(C#N)nc2)C1 1606707027 USRMMTPPABVCIU-LBPRGKRZSA-N 311.319 -0.183 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N1CCN(C)C[C@@H](C(=O)O)C1 1609725581 INCXUGAKZPVXLW-WDEREUQCSA-N 318.399 -0.587 30 20 DBED Cc1[nH]c(C(=O)Cn2c(=O)[nH]cc(C#N)c2=O)c(C)c1C(=O)O 1610399326 IFOZHZJVFRPTMH-UHFFFAOYSA-N 316.273 -0.066 30 20 DBED N#Cc1ncn(CC(=O)N2C[C@H]3COCC[C@@]3(C(=O)O)C2)n1 1610635668 DZVQIOFZLUGETF-TVQRCGJNSA-N 305.294 -0.901 30 20 DBED CCn1ncnc1CS(=O)(=O)CCC(=O)N(C)CCC#N 1649775729 BWRBUPYRGXUUBW-UHFFFAOYSA-N 313.383 -0.025 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)CC2OCCCO2)C1 1731371385 NEAPADNHOPDBCT-LBPRGKRZSA-N 311.382 -0.368 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H](C)CNC(=O)Cc1c(C)n[nH]c1C 1752917199 HIQLUBBIZSKHTM-ZWNOBZJWSA-N 319.409 -0.199 30 20 DBED C#CCNC(=O)CN1CC[C@H](CNC(=O)[C@H](OC)C2CCC2)C1 1753130130 AAPCJFYTPGDZTI-CZUORRHYSA-N 321.421 -0.011 30 20 DBED C=CCN(CCC)CCNC(=O)c1cn(C)c(=O)n(C)c1=O 1753148872 QMIJUNCYEYXBHA-UHFFFAOYSA-N 308.382 -0.288 30 20 DBED CN(C)S(=O)(=O)CC(=O)NC1(CNCC#N)CCCC1 1753510625 YCWFCHZYAZIMLL-UHFFFAOYSA-N 302.400 -0.580 30 20 DBED C#CCNC(=O)CNC[C@@H]1CCC[C@H]1NC(=O)c1ccnn1C 1753880175 NTOCQZDPOJXMDT-QWHCGFSZSA-N 317.393 -0.342 30 20 DBED C=C(C)CCN1CC[C@](O)(CNC(=O)CCNC(=O)NC)C1 1754749365 UKWAYSYXQJCCGB-HNNXBMFYSA-N 312.414 -0.175 30 20 DBED Cn1nncc1CN1CC[C@@](O)(CNC(=O)C#CC(C)(C)C)C1 1754751010 CUEKBEUHAFQSCH-MRXNPFEDSA-N 319.409 -0.082 30 20 DBED N#Cc1cc(CN2CC[C@](O)(CNC(=O)C(N)=O)C2)ccc1F 1754757231 GSHORCFSFDFKFN-HNNXBMFYSA-N 320.324 -0.764 30 20 DBED C=CCCCN1CC[C@](O)(CNC(=O)C[C@H]2CC(=O)NC2=O)C1 1754763870 HTQGOQNBXWJSTR-LRDDRELGSA-N 323.393 -0.442 30 20 DBED C=CCNC(=O)CN1CCCC2(C1)CN(C(=O)c1cnon1)C2 1755456686 BHBBVMOSASVYAW-UHFFFAOYSA-N 319.365 -0.090 30 20 DBED C=CCNC(=O)CN[C@@H](C)CN(C)C(=O)c1ccc(C(N)=O)[nH]1 1755604201 RLGIIUROCVVKGI-JTQLQIEISA-N 321.381 -0.534 30 20 DBED C#CCCCC(=O)NC1(CCO)CN(C(=O)[C@@H]2CCC(=O)N2)C1 1756079409 ATNGJQUPZBTOEF-LBPRGKRZSA-N 321.377 -0.852 30 20 DBED C=C(C)CCC(=O)N[C@@H](CO)CNC(=O)C(=O)NCC1CC1 1756544838 GJSXHYKZLPOSAK-GFCCVEGCSA-N 311.382 -0.538 30 20 DBED C[C@@H]1C[C@H](NC(=O)C2(C(N)=O)CC2)CN1C(=O)C#CC1CC1 1756588911 XNYBQCKLSLQCAE-PWSUYJOCSA-N 303.362 -0.229 30 20 DBED C=CCCC(=O)N[C@H]1C[C@H](C)N(C(=O)Cn2c(O)nnc2O)C1 1756596758 BALOXXUFDDNPIQ-UWVGGRQHSA-N 323.353 -0.239 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C[C@@H](O)CNC(=O)Cc1cnoc1 1756663252 NVZAWIYYVGSSMT-YPMHNXCESA-N 323.349 -0.809 30 20 DBED C=CCCC(=O)N[C@@H]1CN(C(=O)Cc2n[nH]c(C)n2)C[C@H]1O 1756984795 HSETUSMKNLWHSL-GHMZBOCLSA-N 307.354 -0.690 30 20 DBED CC#CCCCC(=O)N1C[C@H](O)[C@H](NC(=O)CNC(C)=O)C1 1757150205 DTWWBMATADZWGH-OLZOCXBDSA-N 309.366 -0.996 30 20 DBED C#CCCC(=O)N1CCO[C@]2(CCN(C(=O)COCCO)C2)C1 1781320957 WMQDQSMYECHRFM-INIZCTEOSA-N 324.377 -0.761 30 20 DBED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)C#C)C2)C1 1840169725 QNWKRFRGMVQKHL-KRWDZBQOSA-N 318.373 -0.121 30 20 DBED N#CC1(C(=O)N2CC3(CCCN3C(=O)Cn3ccnn3)C2)CC1 1843101429 ANVFZOICOGLUNL-UHFFFAOYSA-N 314.349 -0.215 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1CCC[C@@]2(CNC(=O)C2)C1 72833706 FDSJVIWMCBLIAT-XHDPSFHLSA-N 308.382 -0.011 30 20 DBED C=CCN(C(=O)CN1CCOCC1)[C@H]1CCS(=O)(=O)C1 136568636 PBVCQNMXLMEYFG-LBPRGKRZSA-N 302.396 -0.480 30 20 DBED CC(C)CN/C(N)=N/CCS(=O)(=O)N1CCSCC1 262524815 KFEYVRGVPAZSPH-UHFFFAOYSA-N 308.473 -0.075 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCO[C@@H](C)[C@H]2C)C1=O 268914304 UHFWFDZLJRWNGV-ZJUUUORDSA-N 309.322 -0.401 30 20 DBED C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCCNS(C)(=O)=O 281588385 VJSPNGDYCCPJQO-WDEREUQCSA-N 305.400 -0.184 30 20 DBED CNC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 285406087 ZULDNTDRRAWBHH-LBPRGKRZSA-N 300.318 -0.084 30 20 DBED C[C@H](CO)NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 298286797 BLJQDHSLGCRHJR-SNVBAGLBSA-N 311.363 -0.011 30 20 DBED CC(C)N1CC[C@H](Nc2c(C#N)c(=O)n(C)c(=O)n2C)C1=O 301252106 CKKKZZOUXPRJSR-JTQLQIEISA-N 305.338 -0.623 30 20 DBED C[C@@H](CN1CCN(C)CC1)/N=C(/O)N1C[C@H]2COC[C@@H](C1)O2 328730432 HYLXYQJIBFUGIS-MELADBBJSA-N 312.414 -0.364 30 20 DBED Cc1cnn(CC/N=C(/O)N2CC[C@]3(C2)N=C(O)N(C)C3=O)c1 329270617 HNWNHHAOCMMMAS-CQSZACIVSA-N 320.353 -0.064 30 20 DBED CN1CC[C@@H](/N=C(/O)CSCC(=O)N2CCOCC2)C1=O 329684728 UINFLAMPLTWHNY-SNVBAGLBSA-N 315.395 -0.234 30 20 DBED CC(=O)N[C@@H]1CCCN(C(=O)CNc2ccc(C#N)cn2)C1 330538861 GMUBAOQBNNLSFD-CYBMUJFWSA-N 301.350 0.492 30 20 DBED CCN(C)C(=O)CN/C(O)=N/CCN1CCN(C)C(C)(C)C1 331290692 KKQXDCHTSFFERP-UHFFFAOYSA-N 313.446 -0.006 30 20 DBED C[C@@H](O)CC(C)(C)CNS(=O)(=O)N1CCO[C@H](C#N)C1 336937952 HENRIDJODCLAFH-GHMZBOCLSA-N 305.400 -0.158 30 20 DBED COc1cc(C#N)ccc1S(=O)(=O)N(CCO)C[C@@H](C)O 349807229 BFZIDAJKFNEDKM-SNVBAGLBSA-N 314.363 -0.069 30 20 DBED CNS(=O)(=O)[C@@H]1CCCN(CCC(=O)N(C)CCC#N)C1 367503917 XKZJEXVWCQFIBY-GFCCVEGCSA-N 316.427 -0.238 30 20 DBED C[C@@H]1CN(C(=O)NCC(=O)NCC#N)C[C@@]2(CCO[C@@H]2C)O1 377047585 HFWOMQBOROZHHK-JTNHKYCSSA-N 310.354 -0.396 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1CC[C@H](CC(N)=O)C1 377364786 YCPLMKGZOMNTOP-LLVKDONJSA-N 318.399 -0.709 30 20 DBED CC(C)C[C@@H](NS(=O)(=O)N1CCO[C@H](C#N)C1)C(=O)O 417467381 WJOYENBLPDFGBG-NXEZZACHSA-N 305.356 -0.456 30 20 DBED C=CCN1CCC(NC(=O)C(=O)N2C[C@@H](C)NC[C@@H]2C)CC1 419702820 CBPFTQDMJTZIHH-OLZOCXBDSA-N 308.426 -0.038 30 20 DBED C=CCn1cc(CNC(=O)CN(C)S(=O)(=O)CC)nn1 424910107 XIXXMQSDFCJYDB-UHFFFAOYSA-N 301.372 -0.638 30 20 DBED CNS(=O)(=O)c1cccc(S(=O)(=O)NCCC#N)c1 487332911 IUIGGKCLYMJGPD-UHFFFAOYSA-N 303.365 -0.213 30 20 DBED C#CCNC(=O)CN1CCN(CC(=O)N2CCC[C@@H](C)C2)CC1 491126868 SYXVITPGPHDFNA-OAHLLOKOSA-N 320.437 -0.388 30 20 DBED Cc1cc(S(=O)(=O)NCC(=O)NCC#N)ccc1C(=O)O 505853691 RKBLIHOIWOBVNU-UHFFFAOYSA-N 311.319 -0.389 30 20 DBED COC(=O)[C@@H](CC(C)C)NC(=O)Cn1cnc(C#N)cc1=O 566214408 IDEZBKIRJXYVOK-LLVKDONJSA-N 306.322 -0.181 30 20 DBED C=CCN1CC[C@H](N2[C@H]3C[C@H]4[C@H]([C@@H]3O)[C@@H]3C[C@H]4[C@H](O)[C@@H]32)C1=O 567994714 SGYAXMBVFGNKLA-UZDUVONBSA-N 304.390 -0.166 30 20 DBED C=CCOC[C@@H](NS(=O)(=O)c1cnn(C)c1C)C(=O)O 572117712 AMRFUQDQUHCFBS-SECBINFHSA-N 303.340 -0.337 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)NC[C@](C)(CO)CC(=O)O 583444023 KPYKEQMFEONCJR-MWLCHTKSSA-N 307.372 -0.472 30 20 DBED C[C@@H]1OCCN(C(=O)C(=O)NC2CCN(CC#N)CC2)[C@@H]1C 588126025 XWIUQBAYDGRKJO-NEPJUHHUSA-N 308.382 -0.274 30 20 DBED C=CCC[C@H](NC(=O)[C@H]1CCS(=O)(=O)N1)C(=O)OCC 593738920 OGJJZBIXUJOYKO-ZJUUUORDSA-N 304.368 -0.308 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC2(CC(=O)O)CCC2)C1=O 653322426 UJDVRYASFUKGOC-UHFFFAOYSA-N 323.305 -0.523 30 20 DBED CNS(=O)(=O)c1ccc(C(=O)OCC(=O)NCC#N)cc1 731236363 ALFDTLGBFNGZQZ-UHFFFAOYSA-N 311.319 -0.609 30 20 DBED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@@H](O)C1 746635455 IQTUHPKFADXABI-SNVBAGLBSA-N 323.374 -0.292 30 20 DBED N#CCc1ccccc1CC(=O)NCCN1CCNC(=O)C1 781211943 YFLGNIZDVBPPIY-UHFFFAOYSA-N 300.362 -0.157 30 20 DBED CN(C[C@H](O)CO)C(=O)C(=O)Nc1cccc(OCC#N)c1 785115875 OGMADNMHNBSMRD-NSHDSACASA-N 307.306 -0.661 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N[C@@H](C)C(=O)N(C)CC 788828771 VLEJRBIXUXMZRO-JTQLQIEISA-N 305.400 -0.247 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCC2(C1)OCCO2)[C@@H]1CCCO1 809309204 LYIBAHQHNKOGJP-RYUDHWBXSA-N 308.334 -0.741 30 20 DBED C#CC[C@H](CO)NC(=O)CCn1nnc2ccccc2c1=O 816673599 CKKJSASSVXGDGB-LLVKDONJSA-N 300.318 -0.318 30 20 DBED C[S@@](=O)CCN1CCN(C(=O)[C@@](C)(C#N)CC(=O)O)CC1 820899664 AITNMYVLSGBFMT-LRTDBIEQSA-N 315.395 -0.486 30 20 DBED C#CC1CCN(S(=O)(=O)CCNS(=O)(=O)CC)CC1 828115420 WAVNTLOFHTXTCZ-UHFFFAOYSA-N 308.425 -0.399 30 20 DBED CN(C)S(=O)(=O)c1cccc(C(=O)N[C@@H]2CNC[C@@H]2C#N)c1 834504642 DKLGCIFSEIITHO-WCQYABFASA-N 322.390 -0.222 30 20 DBED C#CC[C@@H](NS(=O)(=O)c1cnc(Cl)n1C)C(=O)OC 841542018 ZKCLSRHZUCMUMS-SSDOTTSWSA-N 305.743 -0.083 30 20 DBED C#C[C@H](CC)NC(=O)CS(=O)(=O)CC(=O)N[C@@H](C#C)CC 847896521 CGIRZFLTVSMKET-TXEJJXNPSA-N 312.391 -0.543 30 20 DBED C#CCC[C@@H](O)CNC(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1 861519049 DTYGQBDUBAPASC-WCQYABFASA-N 304.350 -0.337 30 20 DBED C#Cc1cncc(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)OC)c1 870356940 YXAXKXHPDHCJMF-UWVGGRQHSA-N 303.318 -0.141 30 20 DBED C#CCN1CCN(C(=O)Cn2cc3c(n2)CC[C@H](O)C3)CC1 883007026 JVDDMUWGYRMSDN-AWEZNQCLSA-N 302.378 -0.490 30 20 DBED C#CC1(O)CN(C(=O)[C@@H]2CS(=O)(=O)C[C@@H]2C(F)(F)F)C1 890527441 SGIREMILPKBSFP-SFYZADRCSA-N 311.281 -0.584 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2cnn[nH]2)C1 936123836 CUTOSKRERYDKHL-FOGDFJRCSA-N 305.338 -0.274 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](N(C)C(=O)c2cn(C)c(=O)n2C)C1 939405784 HAVMDZTVEUCIJW-WDEREUQCSA-N 319.365 -0.444 30 20 DBED Cn1nncc1C(=O)N1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 939930823 YMQGIERNIYDCKZ-SNVBAGLBSA-N 313.321 -0.341 30 20 DBED C[C@@H](C#N)C(=O)N1CCCN(C(=O)[C@@H](C)S(C)(=O)=O)CC1 941553332 TWBTUDGSEDSVJF-WDEREUQCSA-N 315.395 -0.360 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]1CNC(=O)c1cccnc1C(N)=O 950273788 IMSTWVYRBUUBBB-UWVGGRQHSA-N 315.333 -0.329 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2nc(OC)cc(OC)n2)C1 958182502 BMLNDOQZBWHWIB-GHMZBOCLSA-N 320.349 -0.851 30 20 DBED CC#CCN1C[C@H](CNC(=O)c2cn3cccnc3n2)[C@@H](O)C1 958214639 KIUWOIDRQGKHHR-JSGCOSHPSA-N 313.361 -0.225 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2CN(CC3CC3)C[C@H]2O)nn1 958472323 SYHHJWRHFJUNDG-TZMCWYRMSA-N 305.382 -0.103 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cnon1 960827055 RNUYTQMFYSIDKI-DVVUODLYSA-N 305.294 -0.719 30 20 DBED C=CCCN1C[C@H]2[C@H](NC(=O)c3nccnc3C(N)=O)[C@H]2C1 962506711 FFLCMNVLFFDTCK-URLYPYJESA-N 301.350 -0.188 30 20 DBED Cn1ccc(CC(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2O)n1 962904532 KSEPWFSDIQILJE-KGLIPLIRSA-N 316.361 -0.936 30 20 DBED CC#CCN1CC[C@@H](C)[C@H](NC(=O)CN2CCC(=O)NC2=O)C1 968518094 XSGCHJUWZFKJAU-CHWSQXEVSA-N 320.393 -0.222 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CCN(C)C1=O 969662454 XUMFFGVLRSMHCI-RVMXOQNASA-N 318.377 -0.174 30 20 DBED C[C@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)[C@]1(C)CNC(=O)C1)C2 969811407 MBPIKMSMDJDLEM-YRORDHRNSA-N 318.377 -0.126 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)c3nccnc3N)[C@@H]2C1 971587820 BCTCIEATLYYSOY-HBNTYKKESA-N 314.349 -0.109 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H](N(C)[C@@H](C)C(N)=O)C2)nn1 972501666 QCCIHFBJMHBXJJ-QWRGUYRKSA-N 306.370 -0.516 30 20 DBED O=C1NC[C@H](C(=O)NC[C@H]2CCCN(C(=O)C#CC3CC3)C2)N1 975492337 UELREJDXXNEUTB-CHWSQXEVSA-N 318.377 -0.564 30 20 DBED C=C1CC(C)(C(=O)N2C[C@H]3[C@H](NC(=O)Cn4ncnn4)[C@H]3C2)C1 976556125 MOTFDZVPRQVFJN-PJXYFTJBSA-N 316.365 -0.398 30 20 DBED N#CCN1C[C@@H]2C(CNC(=O)c3ccc(-n4cnnn4)cn3)[C@H]2C1 978522827 CWZHREVAUZYKBZ-CHWSQXEVSA-N 324.348 -0.512 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H]2C[C@H](NC(=O)c3nc[nH]n3)C2)c1 979624779 HDBWVNOCPSSCNI-CZMCAQCFSA-N 313.321 -0.057 30 20 DBED C=C(Cl)CN(C)[C@H]1CCN(C(=O)Cn2c(O)nnc2O)C1 980264578 PXMKZJBBRANBNV-VIFPVBQESA-N 315.761 -0.026 30 20 DBED C=CCn1cc(C(=O)N2CCCN([C@H](CC)C(N)=O)CC2)nn1 982118130 WYZCVLXSMQMKAX-CYBMUJFWSA-N 320.397 -0.124 30 20 DBED C=C(Cl)CN[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)[C@H]1C 987481659 KYOANJYNYGQYOV-UWVGGRQHSA-N 314.773 -0.130 30 20 DBED C[C@@H]1[C@@H](NC(=O)[C@@H]2COCCN2C)CCN1C(=O)C#CC1CC1 987641217 YFLFJICAWSELCM-SNPRPXQTSA-N 319.405 -0.164 30 20 DBED C#CCCN1CC[C@@]2(NC(=O)CN3CCNC(=O)C3)CCC[C@H]12 992108725 QKPADARIFORVQK-YOEHRIQHSA-N 318.421 -0.445 30 20 DBED O=C(NC1CN(C(=O)C#CC2CC2)C1)[C@@H]1CCc2nncn2C1 993847029 PZGWIGJUPGZGRL-GFCCVEGCSA-N 313.361 -0.419 30 20 DBED Cn1cnc(C(=O)NC2CN(C(=O)C#CC3CC3)C2)cc1=O 994779897 KPTFZYCPFYHWBX-UHFFFAOYSA-N 300.318 -0.866 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)[C@H]3CCNC3=O)C2)cn1 997103917 MLXVQWNHYILRLQ-ZDUSSCGKSA-N 312.329 -0.860 30 20 DBED C#CCCN1CCC(N(C)C(=O)C[C@@H]2NC(=O)NC2=O)CC1 1005519998 BXPYVIHTTWIPJB-LBPRGKRZSA-N 306.366 -0.469 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@]2(CN(C(=O)c3nc[nH]n3)CCO2)C1 1007710441 HQDFRMJRDJNKQJ-HZMBPMFUSA-N 318.337 -0.592 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C(=O)CC2CS(=O)(=O)C2)CC1 1011347621 YKQCTHPJGGNESG-SNVBAGLBSA-N 313.379 -0.748 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@H](N[C@H]2CCNC2=O)C1 1018986350 ZLDCRLKXXFCUCR-IHRRRGAJSA-N 304.394 -0.837 30 20 DBED C[C@H](C#N)C(=O)N1CCCO[C@H](CNC(=O)c2cn[nH]c2)C1 1019539794 UKGGQLDPDLUYRW-ZYHUDNBSSA-N 305.338 -0.083 30 20 DBED O=C1CC[C@H](C(=O)N2C[C@@H]3CCN(C(=O)C#CC4CC4)[C@@H]3C2)N1 1021587536 CVABOBQULHUBRW-BFHYXJOUSA-N 315.373 -0.262 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnn(CCF)c2)C1 1024462542 OLFUKIOFPDDPMV-YUSALJHKSA-N 323.328 -0.686 30 20 DBED O=C(N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O)c1ncccc1F 1025295165 JBQMQXDQUZMEEF-CHWSQXEVSA-N 317.320 -0.064 30 20 DBED Cn1[nH]c(CNC[C@H]2CCN(C(=O)C#CC3CC3)C2)nc1=O 1026835210 REVWXWPCTJHHIG-GFCCVEGCSA-N 303.366 -0.540 30 20 DBED C=CCN1CCC[C@H]1CNC(=O)[C@H]1CCN(C)S1(=O)=O 1028196187 DNDIGYGUOQICRS-NWDGAFQWSA-N 301.412 -0.213 30 20 DBED C#CCCN1CC(NC(=O)c2ccc(=O)n(CCOC)c2)C1 1030601803 BSPMJSPHEVXMOX-UHFFFAOYSA-N 303.362 -0.068 30 20 DBED C#Cc1ccc(C(=O)NCC2CN([C@H]3CCN(C)C3=O)C2)nc1 1032136662 DSPSZABSAJORGS-HNNXBMFYSA-N 312.373 -0.045 30 20 DBED CN(C)C(=O)CN1CCO[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 1035327894 ZPKQLKIMJKBZHO-GFCCVEGCSA-N 319.365 -0.595 30 20 DBED C=C(C)CN[C@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C[C@H]1C 1036040674 URDYAJGNJZOUIC-NEPJUHHUSA-N 320.397 -0.220 30 20 DBED C[C@@H]1CN(C(=O)CCc2nnc(O)nc2O)CC[C@@H]1NCC#N 1036096268 IGNLOQVJBCBCFJ-ZJUUUORDSA-N 320.353 -0.434 30 20 DBED C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCS(=O)(=O)N1 1039472981 PAATWQSUUJXEJG-AGIUHOORSA-N 313.423 -0.071 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@]1(O)CCN(C(=O)C(C)(C)F)C1 1039721426 LFBXLDGZIWECPG-XHDPSFHLSA-N 314.357 -0.148 30 20 DBED N#CCN1[C@H]2CCC[C@H]1CN(C(=O)CN1CCCNC1=O)C2 1039727367 DNWWZQUSELEDHL-STQMWFEESA-N 305.382 -0.009 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(O)(CNC(=O)C(C)(F)F)C1 1041144768 ZUUDFNRIWXZMME-LLVKDONJSA-N 306.309 -0.342 30 20 DBED N#CCSCC(=O)NCC1(O)CN(C(=O)/C=C\C2CC2)C1 1041569344 ULSKVVGKACHPSK-ARJAWSKDSA-N 309.391 -0.101 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)[C@H](C)n2cccn2)C1 1041612473 MDTPCSYUIPVFGQ-ZDUSSCGKSA-N 318.377 -0.207 30 20 DBED C=CCCCC(=O)N1CC(O)(CNC(=O)c2nnn(C)c2C)C1 1042280892 WHQNJJHLXUWQJA-UHFFFAOYSA-N 321.381 -0.217 30 20 DBED CO[C@@H]1CN(c2nccnc2C#N)C[C@H]1NC(=O)c1ccon1 1042774039 IJTNVVBMADQRSA-VXGBXAGGSA-N 314.305 -0.030 30 20 DBED CCc1nc(C(=O)N2CC(O)(CNC(=O)C#CC3CC3)C2)co1 1042957938 BQEIIRYRUIQMKZ-UHFFFAOYSA-N 317.345 -0.047 30 20 DBED C=C(C)CCC(=O)NCC1(O)CN(C(=O)[C@H](C)NC(N)=O)C1 1043310740 JZJOBPVNISOTRH-JTQLQIEISA-N 312.370 -0.911 30 20 DBED C=CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)c2nonc2C)C1 1043720768 YKDVCNKDXHHFCZ-SNVBAGLBSA-N 324.337 -0.728 30 20 DBED Cc1cc(CCC(=O)N2CC(O)(CNC(=O)[C@H](C)C#N)C2)no1 1045553051 ZWWCALQABHGUMQ-SNVBAGLBSA-N 320.349 -0.235 30 20 DBED N#CCN1CC[C@H](N2CCN(C(=O)CN3CCOCC3)CC2)C1 1046023002 YRQSYBCEPQSQMH-HNNXBMFYSA-N 321.425 -0.939 30 20 DBED C#CCN1CC[C@H](N2CCN(C(=O)c3ncn(C)n3)CC2)C1 1046026212 PXHBJQCHGPIDFB-ZDUSSCGKSA-N 302.382 -0.720 30 20 DBED C=CCN1CC[C@H](N2CCN(C(=O)[C@@]3(C)CCNC3=O)CC2)C1 1046062453 UYJFEARGNGBBJH-YOEHRIQHSA-N 320.437 -0.083 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCN([C@H]2CCN(CCO)C2)CC1 1046065245 IONVFYWFACTOAE-XHSDSOJGSA-N 323.437 -0.212 30 20 DBED C[C@@H](NCc1nc(=O)n(C)[nH]1)[C@H]1CCN(C(=O)C#CC2CC2)C1 1047849128 PPBIDZLVOWOKLH-YPMHNXCESA-N 317.393 -0.152 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CN([C@@H]3CCC(=O)NC3=O)C[C@@H]2C1 1048728051 SLRPRPQFORHKCJ-NNYUYHANSA-N 304.350 -0.659 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)Cn2cccn2)C[C@@H]1O 1049388027 DJQMUFNZIQEQIU-SRVKXCTJSA-N 305.338 -0.927 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H]([C@H](C)NC(=O)C(F)F)C1 1050489255 AIECFQNJJNQJLJ-UWVGGRQHSA-N 315.320 -0.256 30 20 DBED CC#CCN1CCOC[C@@H]1CNC(=O)[C@H]1CN(C(C)=O)CCO1 1051230987 MXJBCTLBEFDYPO-LSDHHAIUSA-N 323.393 -0.926 30 20 DBED C#CCN1CC2(C1)CN(C(=O)[C@@H]1CN3CCC[C@@H]3CO1)CCO2 1053263050 GXNDTWORRLHFSR-CABCVRRESA-N 319.405 -0.604 30 20 DBED C#CCN1CC2(C1)CN(C(=O)c1cccc(=O)n1C)CCO2 1053421359 HOCXPJMCFVYASI-UHFFFAOYSA-N 301.346 -0.455 30 20 DBED C#CCN1CC2(C1)CN(C(=O)COC1CCOCC1)CCO2 1053453517 DOUINPGJMBOJOV-UHFFFAOYSA-N 308.378 -0.272 30 20 DBED C#CCN1CC2(C1)CN(C(=O)c1noc3c1COCC3)CCO2 1053537412 FAZXJZIKQYZANX-UHFFFAOYSA-N 317.345 -0.093 30 20 DBED Cn1cc(C(=O)NC[C@@H]2CCC3(CN(CC#N)C3)O2)nc1O 1053656566 XSEFPCKWBJSCSD-JTQLQIEISA-N 305.338 -0.388 30 20 DBED C#CCN1CC2(CC[C@@H](CNC(=O)c3cccn(C)c3=O)O2)C1 1053686357 OGXMQJJWNIFTPA-ZDUSSCGKSA-N 315.373 -0.018 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)CO2)C1 1053880290 NDZUMCCQNKBTGD-XDQVBPFNSA-N 321.377 -0.479 30 20 DBED C=CCOCC(=O)N1C[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@@H]2C1 1055250364 YVAWIWOYMQKHDC-XQHKEYJVSA-N 321.377 -0.773 30 20 DBED CCOCC(=O)NCCN1CCC(NC(=O)[C@@H](C)C#N)CC1 1055506820 IBSBHQZTWQUAPY-LBPRGKRZSA-N 310.398 -0.121 30 20 DBED Cn1cc(CC(=O)N2CCN(c3cncc(C#N)n3)CC2)cn1 1055741207 DWRFLMMMGKEFAB-UHFFFAOYSA-N 311.349 -0.027 30 20 DBED C#CCNC(=O)CC(=O)N[C@]1(CO)CCCN(C(=O)C2CC2)C1 1055894305 AQDNEMBXKZCZAX-MRXNPFEDSA-N 321.377 -0.994 30 20 DBED N#Cc1ccc(N2C[C@H]3[C@H](NC(=O)[C@H]4COC(=O)N4)[C@H]3C2)nn1 1056196011 XREMAJFVIKXQCS-KLBPJQLPSA-N 314.305 -0.993 30 20 DBED CCn1ncc(C(=O)N[C@H]2[C@@H]3CN(c4ccc(C#N)nn4)C[C@@H]32)n1 1056202828 PYXOBWQAYOXENQ-YABSGUDNSA-N 324.348 -0.176 30 20 DBED CNC(=O)NCC(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C)C#N 1056540378 JMPVLPGUFKTRTJ-GRYCIOLGSA-N 321.381 -0.333 30 20 DBED CN(c1ccnc(C#N)n1)[C@H]1CCN(C(=O)c2ncn(C)n2)C1 1056909730 BDISFVSUVKFNHM-JTQLQIEISA-N 312.337 -0.172 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)C[C@H]1CCCC(=O)N1 1058206581 NQCMDZYYFYOURD-VXGBXAGGSA-N 324.381 -0.858 30 20 DBED CN1CCOC[C@@H]1C(=O)N[C@H]1CCN(c2nccnc2C#N)C1 1058318699 FCMBXHKGFWBRFW-WCQYABFASA-N 316.365 -0.626 30 20 DBED C=CCOCC(=O)N1CC[C@H](CCNC(=O)c2ncn(C)n2)C1 1059335258 QMEGUUFFMSTRQS-LBPRGKRZSA-N 321.381 -0.014 30 20 DBED C[C@H](C#N)C(=O)NCC[C@@H]1CCN(C(=O)Cn2nccn2)C1 1059710843 WTHLSYKFTSJQCB-VXGBXAGGSA-N 304.354 -0.207 30 20 DBED C=CCOCC(=O)N1CCOC[C@H]1CNC(=O)COCC 1061237949 VVPGLUMJNRLNOV-GFCCVEGCSA-N 300.355 -0.431 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@H]1COCCN1C(=O)c1cnon1 1061542604 LLQAAZQFKUYICS-IINYFYTJSA-N 324.337 -0.646 30 20 DBED O=C(C#CC1CC1)NC1(CNC(=O)[C@H]2COCCO2)CCC1 1062590776 HBRZBOZADQIMEL-CYBMUJFWSA-N 306.362 -0.030 30 20 DBED C#CCO[C@H](C)C(=O)NC1(CNC(=O)CNC(=O)CC)CCC1 1062714808 ZYYVDEVJXCWCLK-GFCCVEGCSA-N 323.393 -0.294 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)[C@@H]2CCNC(=O)C2)CCC1 1062794581 JVQVWAKVOUXHMT-WDEREUQCSA-N 306.366 -0.173 30 20 DBED C#CCNC(=O)CC(=O)NCC1(NC(=O)COC(C)C)CCC1 1062829482 OKEZRHROWDMZNF-UHFFFAOYSA-N 323.393 -0.294 30 20 DBED C#CCO[C@@H](C)C(=O)NC1(CNC(=O)c2cnn[nH]2)CCC1 1063585024 FVNPMINFOHEXDM-JTQLQIEISA-N 305.338 -0.388 30 20 DBED N#Cc1nccc(N2CC[C@@H]3CN(C(=O)CC(N)=O)CC[C@H]32)n1 1063999860 QNFNTZWTABYPHB-GHMZBOCLSA-N 314.349 -0.349 30 20 DBED N#CCSCC(=O)N1CCO[C@H](CNC(=O)c2cnco2)C1 1064882672 HFSZPCLMXRGUER-SNVBAGLBSA-N 324.362 -0.111 30 20 DBED CC(=O)N(C)CC(=O)N1CCO[C@H](CNC(=O)C#CC(C)C)C1 1064882826 KLEJTEKNWJKWOO-CQSZACIVSA-N 323.393 -0.532 30 20 DBED CO[C@H](C)C(=O)NC[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCO1 1065020811 KTYCBFUMHCKEAO-PWSUYJOCSA-N 320.349 -0.122 30 20 DBED C=C(C)CCC(=O)NC[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)CCO1 1065540741 VCQSMHUFVIKRCP-VXGBXAGGSA-N 324.381 -0.632 30 20 DBED N#Cc1nc(=NC[C@H]2CN(C(=O)[C@@H]3CCCO3)CCO2)cc[nH]1 1066587252 WFFXZLUYRCKPGH-RYUDHWBXSA-N 317.349 -0.412 30 20 DBED C[C@H]1CN(C(=O)Cn2cnnn2)C[C@H]1Nc1ccc(C#N)nc1 1067042637 UMFIRWFYXRRZDN-GXFFZTMASA-N 312.337 -0.101 30 20 DBED N#Cc1ccc(NCC2(O)CCN(C(=O)CC(N)=O)CC2)cn1 1067471159 VAJOVUTVRAXJHJ-UHFFFAOYSA-N 317.349 -0.406 30 20 DBED CN(C(=O)C(N)=O)C1CCC(N=c2cc[nH]c(C#N)n2)CC1 1067914284 LTHSCQCHACXIEZ-UHFFFAOYSA-N 302.338 -0.563 30 20 DBED C[C@H](N=c1cc[nH]cc1C#N)[C@@H]1CN(C(=O)CC(N)=O)CCO1 1068227995 SJKNFSGIBYSYJV-GWCFXTLKSA-N 317.349 -0.722 30 20 DBED C#CCOCCC(=O)N[C@H]1COC2(C1)CN(C(=O)COC)C2 1068868470 OTNWDRFABJTSSI-GFCCVEGCSA-N 310.350 -0.841 30 20 DBED C#CCOCCC(=O)N1CCC[C@@H](NC(=O)C2(C(N)=O)CC2)C1 1070728241 LQBFWDWGYZOLPU-GFCCVEGCSA-N 321.377 -0.601 30 20 DBED N#CCN1C[C@H]2C[C@H]3CN(C(=O)c4cnns4)C[C@@]3(C1)O2 1070766571 CIUXIIBPWUGCKV-OPQQBVKSSA-N 305.363 -0.023 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H](N2CCN(CC#N)CC2=O)C1 1071258812 RGECMMUOSOOYQK-OLZOCXBDSA-N 303.366 -0.195 30 20 DBED CC#CCN1CCCO[C@H](CNC(=O)c2cnn(C)c2N)C1 1073582014 AFSFNWMUWHJEOF-GFCCVEGCSA-N 305.382 -0.154 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)CCN3CCOCC3)C[C@@H]21 1074359305 DBQCXHPWEUXKEO-HOTGVXAUSA-N 321.421 -0.356 30 20 DBED CC#CCN1CCO[C@@H]2CCN(C(=O)Cn3cncn3)C[C@H]21 1074399944 LVAVVSGTSKKAHA-ZIAGYGMSSA-N 303.366 -0.397 30 20 DBED CC[C@H](C(=O)N1CCC(O)(CNC(=O)[C@@H](C)C#N)CC1)N(C)C 1074630471 OILZPTRFSIYQKV-QWHCGFSZSA-N 324.425 -0.044 30 20 DBED C#CCOCCC(=O)N[C@@H](C)CCNC(=O)CN1CCCC1=O 1075566171 QTYSIQJVGFOWQC-ZDUSSCGKSA-N 323.393 -0.340 30 20 DBED C[C@@H](CCNC(=O)CSCC#N)NC(=O)c1cn(C)nn1 1075675652 ILTPLQANIPONLF-VIFPVBQESA-N 310.383 -0.304 30 20 DBED C=C[C@](C)(O)CC(=O)NCC[C@H](C)NC(=O)C(C)(C)C(N)=O 1076306589 WCDIIEGJUQZXIP-BONVTDFDSA-N 313.398 -0.164 30 20 DBED C#CCOCCC(=O)NCC[C@H](C)NC(=O)[C@@H]1CC(=O)N(C)C1 1076507848 YFRYIUXHQBTCSE-QWHCGFSZSA-N 323.393 -0.484 30 20 DBED C=CCn1cc(C(=O)NCC[C@H](C)NC(=O)CC(=O)NC)nn1 1076575864 LDUSWXWMMYYUKW-JTQLQIEISA-N 322.369 -0.775 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)CCN(C)CC 1078394310 XBPNRQHQQGKRSR-ZDUSSCGKSA-N 324.425 -0.521 30 20 DBED C#CCOCCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2ccoc2)C1 1081250844 HOFGYGUAUMOCCU-KGLIPLIRSA-N 320.345 -0.131 30 20 DBED N#CCSCC(=O)NC[C@H]1CN(C(=O)c2ccc[nH]2)C[C@@H]1O 1081286944 RCIHMWNZUMQLIX-JQWIXIFHSA-N 322.390 -0.179 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)Cc2ccco2)C[C@H]1O 1081345184 ZOHAAEJVFLAQFA-GXTWGEPZSA-N 322.361 -0.040 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cn(C)cn2)C1 1081406972 AYZZZYYQCNCDPI-WCQYABFASA-N 306.366 -0.065 30 20 DBED N#CCSCC(=O)N1C[C@H](CNC(=O)C#CC2CC2)[C@@H](O)C1 1081468724 NIBXJZYCTUUWDG-STQMWFEESA-N 321.402 -0.408 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)CC(=O)N(C)C)C1 1081496975 QXAZTZIPQJQBSB-VXGBXAGGSA-N 311.382 -0.634 30 20 DBED C=C(C)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CC(=O)N(C)C1 1083098009 BMROAHWQJADAQE-MELADBBJSA-N 307.394 -0.048 30 20 DBED CC[C@H]1CCCN1C(=O)C(=O)N1CCO[C@@H]2CN(CC#N)C[C@@H]21 1083243035 JQYVNPFPTWTRFA-MELADBBJSA-N 320.393 -0.177 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1noc2c1COCC2 1083280632 ZCYZVURITJGSLH-WCQYABFASA-N 318.333 -0.204 30 20 DBED CO[C@H]1C[C@H](C(=O)NC[C@H]2C[C@H](NCC#N)C2)N(C(C)=O)C1 1086439442 FQRVZYIVENJHBS-XDQVBPFNSA-N 308.382 -0.370 30 20 DBED CC#CCN1CC[C@@H]2CN(C(=O)Cn3c(O)nnc3O)C[C@@H]2C1 1088183894 CDAJNSKXPWDPPM-NEPJUHHUSA-N 319.365 -0.507 30 20 DBED CC#CCN1CC[C@@H]2CN(C(=O)CN3C(=O)CNC3=O)C[C@@H]2C1 1088194190 QOKCIWDLEHLLAM-OLZOCXBDSA-N 318.377 -0.658 30 20 DBED COCCCC(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1O 1090376043 XEFYXNXVABGMST-VXGBXAGGSA-N 305.338 -0.559 30 20 DBED CC(C)(O)CC(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1O 1090413088 KJDXEPGGSNHSRO-GHMZBOCLSA-N 305.338 -0.825 30 20 DBED CCCN(C)CC(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1O 1090464954 WZHKSPIRIQBZFW-CHWSQXEVSA-N 318.381 -0.644 30 20 DBED CN(C)CCC(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1O 1090525150 LVWXOSFAXOVEES-CHWSQXEVSA-N 303.366 -0.429 30 20 DBED C=CCN1CC[C@H](NC(=O)c2ccc(=O)n(CC)n2)[C@H](O)C1 1090652531 NIBAWOLHBNMNFX-WCQYABFASA-N 306.366 -0.386 30 20 DBED CC(=O)N(C)CC(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1C 1090677791 UQAKNSOXQYMSOG-ZYHUDNBSSA-N 316.365 -0.233 30 20 DBED COC[C@H](OC)C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1C 1090821932 YFDQMOOMEFGKRE-RTXFEEFZSA-N 319.365 -0.049 30 20 DBED CCCCOCC(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1091079088 JGQNRQCTIAGLBI-OLZOCXBDSA-N 319.365 -0.169 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(c2nc(C)ncc2C)C[C@@H]1O 1091149629 BJKILHQYQQUEEE-KGLIPLIRSA-N 318.377 -0.201 30 20 DBED CC(C)OCC(=O)N[C@@H]1CCN(c2nccnc2C#N)C[C@@H]1O 1092144129 WNNMCRQXNAMNMO-YPMHNXCESA-N 319.365 -0.171 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(c2nccnc2C#N)C[C@H]1O 1092153501 IOVQYDXHZHKEPR-DGCLKSJQSA-N 317.349 -0.393 30 20 DBED Cc1cc(=NCCNC(=O)c2c[nH]c(C(N)=O)c2)c(C#N)c[nH]1 1093644244 BBRKHCDTZGFPLM-UHFFFAOYSA-N 312.333 -0.048 30 20 DBED Cn1cc(C(=O)NCCNc2ccc(C#N)nc2)c(O)nc1=O 1093650355 KLFXKTZYHKXOOC-UHFFFAOYSA-N 314.305 -0.406 30 20 DBED C[C@@H](C(=O)NCCNc1cnc(C#N)cn1)N1CCOCC1 1093730327 AYCIZIRORSSORW-NSHDSACASA-N 304.354 -0.403 30 20 DBED CC(=O)NCC(=O)N1CCCN(c2nccnc2C#N)CC1 1095161188 AYBLRJJVVVISGX-UHFFFAOYSA-N 302.338 -0.477 30 20 DBED C[C@H](C(=O)N[C@H]1CCN(c2cnc(C#N)cn2)C1)S(C)(=O)=O 1096502553 QTUCUKNXUHCOKM-ZJUUUORDSA-N 323.378 -0.524 30 20 DBED C#CCCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cn(C)c(=O)nc1O 1096535537 WUAOBXGWRRPUTH-WXHSDQCUSA-N 316.361 -0.156 30 20 DBED N#Cc1cncc(N[C@@H](CNC(=O)[C@H]2CCNC2=O)C2CC2)n1 1096783801 OFWYJXSSQQDOSP-RYUDHWBXSA-N 314.349 -0.209 30 20 DBED COC(=O)c1nc(=N[C@H]2C[C@H](NC(=O)[C@H](C)C#N)C2)cc[nH]1 1097003579 AUWFHKGPMKTSBR-OPRDCNLKSA-N 303.322 -0.096 30 20 DBED N#Cc1ccc(N[C@H]2C[C@H](NC(=O)C(=O)NCC(F)F)C2)nn1 1097078079 IJFZNMRORNAKHT-KYZUINATSA-N 324.291 -0.211 30 20 DBED C[C@H](NC(=O)C(N)=O)[C@@H]1CCCN(c2nccnc2C#N)C1 1097547398 HDVNXAHVQYIPJF-VHSXEESVSA-N 302.338 -0.445 30 20 DBED C[C@H](CNC(=O)CCn1cnnn1)Nc1nccnc1C#N 1098010944 GNLPVSTVBZMDMN-SECBINFHSA-N 301.314 -0.658 30 20 DBED C=CCN1CCC2(CC1)CN(C(=O)Cn1cnnn1)C[C@@H](C)O2 1098562663 OLLHISKWCCTWJP-CYBMUJFWSA-N 320.397 -0.059 30 20 DBED C[C@@H](CCNC(=O)CCn1cnnn1)N=c1cc[nH]cc1C#N 1099417472 RSWAYWKOBNAHSY-NSHDSACASA-N 314.353 -0.241 30 20 DBED C=CCOCCN1C[C@H]2[C@H]3CC[C@@H]([C@H]2C1)N(C(=O)C(N)=O)C3 1099518600 BHWACRGRSCLSSU-XUXIUFHCSA-N 307.394 -0.157 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(Cc2ccn(C)n2)C[C@H]1O 1099741232 PTYFJVCTJPINOA-UONOGXRCSA-N 308.382 -0.326 30 20 DBED CC(C)C#CC(=O)N[C@H]1CCN(CC(=O)NCC2CC2)C[C@H]1O 1099821813 YDUOUIGGCIJAJA-LSDHHAIUSA-N 321.421 -0.277 30 20 DBED CN(CCNC(=O)CCn1cncn1)c1nccnc1C#N 1099934259 IACYXDDFSASWOB-UHFFFAOYSA-N 300.326 -0.418 30 20 DBED CC1(C(=O)N[C@@H]2CCN(CC(=O)NCC#N)C[C@H]2O)CCC1 1099944834 RLIFHCBFAGLCTF-VXGBXAGGSA-N 308.382 -0.632 30 20 DBED C=CCCCC(=O)N[C@H]1CCN(Cc2nc(O)n[nH]2)C[C@@H]1O 1099975643 FRFJFHAZUCRVTQ-QWRGUYRKSA-N 309.370 -0.082 30 20 DBED C#CCCN1CC[C@@H](NC(=O)C(C)(C)CNC(C)=O)[C@@H](O)C1 1100031501 GEKYQHNCWSMEKV-KGLIPLIRSA-N 309.410 -0.277 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)c2ncccc2O)C1 1100266745 SJPBGQGOKPJJOG-UHFFFAOYSA-N 316.361 -0.365 30 20 DBED Cc1cc(C#N)nc(N(C)CCNC(=O)[C@H]2CCC(=O)NC2)n1 1100403915 DKOXCHWFRQIYAH-NSHDSACASA-N 316.365 -0.265 30 20 DBED C#CCCNC1CC(CNC(=O)c2cnc(O)n(C)c2=O)C1 1100557729 FVRBJLVPLARCIK-UHFFFAOYSA-N 304.350 -0.393 30 20 DBED CCCN(CCNC(=O)[C@@H]1COC(=O)N1)c1ccc(C#N)nn1 1101132543 QSTUTSLVEYHBJW-NSHDSACASA-N 318.337 -0.211 30 20 DBED C=CCOCCN1C[C@@H]2CN(C(=O)CNC(=O)NC)C[C@]2(C)C1 1101259600 AZTHMPPTNHEPNU-CJNGLKHVSA-N 324.425 -0.102 30 20 DBED CCCN(C(=O)C(N)=O)[C@@H]1CCN(c2ccnc(C#N)n2)C1 1102261763 HWCSOFWKZZCLES-SNVBAGLBSA-N 302.338 -0.349 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)COCC)C1 1102646970 ONYQATVFKSXTNO-ZIAGYGMSSA-N 309.410 -0.154 30 20 DBED C#CCN1C[C@@H](C)[C@H](CCNC(=O)[C@H](C)NC(=O)COC)C1 1103020514 VBQFFEJACOFMQE-HZSPNIEDSA-N 309.410 -0.155 30 20 DBED CC[C@H](CNC(=O)C1CN(C(C)=O)C1)N=c1cc[nH]c(C#N)n1 1103071212 ZRKJSHVBYGHBPZ-GFCCVEGCSA-N 316.365 -0.445 30 20 DBED CC[C@@H](CNC(=O)C1(C(N)=O)CC1)Nc1cncc(C#N)n1 1103281386 HVIZCDWYTBZJTI-VIFPVBQESA-N 302.338 -0.080 30 20 DBED C[C@@H](CNC(=O)c1cn(C)nn1)CNc1cnc(C#N)cn1 1103927817 UFGUUINKIDDGAT-SECBINFHSA-N 300.326 -0.045 30 20 DBED C=CCOCCNCc1cn(C2CN(C(=O)COC)C2)nn1 1105119870 FKHMBRPLCPCVDS-UHFFFAOYSA-N 309.370 -0.400 30 20 DBED C=CCCNCc1cn(C2CN(C(=O)[C@@H]3CCNC3=O)C2)nn1 1105297358 MAUTZPUBOONLDM-CYBMUJFWSA-N 318.381 -0.537 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)[C@@H]2CCNC(=O)C2)cn1 1105791279 SZFVIRIOQKVRQN-MFKMUULPSA-N 317.349 -0.632 30 20 DBED CNC(=O)CCCC(=O)NC[C@@H](O)CNc1cncc(C#N)n1 1105794178 CBLNPELLBDVTEF-NSHDSACASA-N 320.353 -0.846 30 20 DBED Cc1cc(=NC[C@H](O)CNC(=O)c2ccn(C)n2)c(C#N)c[nH]1 1105856042 MQQTYGRRPKEIQD-LBPRGKRZSA-N 314.349 -0.380 30 20 DBED CC(C)[C@H](C(=O)NC[C@H](O)CNc1cnc(C#N)cn1)N(C)C 1105917997 UDDSKVQTKPCAEL-TZMCWYRMSA-N 320.397 -0.177 30 20 DBED C[C@]1(C(=O)NC[C@@H](O)CNc2ccc(C#N)nn2)CCOC1 1105939540 VGDPHSKWUPAHRZ-FZMZJTMJSA-N 305.338 -0.336 30 20 DBED C[C@H](CC(=O)NC[C@H](O)CNc1ccc(C#N)nc1)NC(N)=O 1105973518 YMTGINUYOUEKDA-BXKDBHETSA-N 320.353 -0.711 30 20 DBED C[C@@H]1CN(C(=O)c2cncnc2)C[C@H]1CNCC(=O)NCC#N 1106036413 BOHRAGUGQMHPEV-DGCLKSJQSA-N 316.365 -0.586 30 20 DBED CC#CCCCC(=O)NC[C@@H](O)CNc1ccc2nnnn2n1 1106062445 IMFLWJWHMTWYIU-NSHDSACASA-N 317.353 -0.398 30 20 DBED N#Cc1cccnc1NC[C@H](O)CNC(=O)Cc1cnc[nH]1 1106129349 HUOKWNNYIGVARV-GFCCVEGCSA-N 300.322 -0.192 30 20 DBED CCC(=O)N[C@@H](C)C(=O)N[C@@H](C)CCN=c1cc[nH]c(C#N)n1 1106618945 HWOSGDLFTFZHCW-QWRGUYRKSA-N 318.381 -0.008 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)[C@H]1COCCO1 1106684898 DMZMLCRPQCJUQR-LLVKDONJSA-N 305.338 -0.554 30 20 DBED N#Cc1nc(=NC/C=C/CNC(=O)c2cncnc2O)cc[nH]1 1107388339 ZSDLDJJHYIJLBC-OWOJBTEDSA-N 311.305 -0.336 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)c2ccoc2CC(N)=O)C1 1108162540 VUSMJQPZDXGBKX-INIZCTEOSA-N 319.361 -0.239 30 20 DBED C=CCCN1CCO[C@](C)(CNC(=O)CN2C(=O)CNC2=O)C1 1108385715 NWRNKSPDJSHGOR-OAHLLOKOSA-N 324.381 -0.679 30 20 DBED COCC(=O)N[C@@H](C)C(=O)N[C@@H](C)CN=c1cc[nH]cc1C#N 1108746735 VIDIRNOEJHRSSC-QWRGUYRKSA-N 319.365 -0.557 30 20 DBED CNC(=O)NCC(=O)N(C)CCCNc1ccc(C#N)nn1 1109655750 LDCAFKQMTKYEET-UHFFFAOYSA-N 305.342 -0.462 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1[C@H]2C[C@H]1N(c1cnc(C#N)cn1)C2 1109704271 PTBVKRWKOJUCMF-IETSOEAISA-N 324.344 -0.819 30 20 DBED N#Cc1nc(=NC[C@H](NC(=O)[C@H]2CCC(=O)N2)C2CC2)cc[nH]1 1109794423 XSUHTKYITDAYCM-MNOVXSKESA-N 314.349 -0.645 30 20 DBED CC[C@H](OC)C(=O)NC[C@@]1(O)CCN(c2ccc(C#N)nn2)C1 1111043271 BIYTYLGVMADIFK-WFASDCNBSA-N 319.365 -0.169 30 20 DBED C=CCOCC(=O)N(C)[C@H]1CN(c2nccc(OC)n2)C[C@@H]1O 1111175734 RKONVCXXWNQLGH-RYUDHWBXSA-N 322.365 -0.304 30 20 DBED COc1ccnc(N2C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)C#N)C2)n1 1111176403 HXDUSEQCYSLOPS-DCAQKATOSA-N 305.338 -0.347 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCC[C@]2(NC(=O)CCOC)C1 1111557436 GKHAFGKEEJGASK-BBRMVZONSA-N 307.394 -0.257 30 20 DBED CC(C)[C@@H](O)C(=O)NC[C@H]1COCCN1c1cncc(C#N)n1 1111682524 AFECNRRIDLIVSE-GXTWGEPZSA-N 319.365 -0.313 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)c2c(F)cncc2F)CC1 1112894665 JFCXKELABHICRP-UHFFFAOYSA-N 323.303 -0.243 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)[C@@H](C)Nc1nccc(OC)n1 1112973078 FHYQEPNTBDOJCY-WDEREUQCSA-N 319.365 -0.070 30 20 DBED Cc1cc(C#N)nc(N(C)[C@@H](C)CNC(=O)[C@H]2CCC(=O)N2)n1 1113542703 GOBSPAUBIJXHPY-CMPLNLGQSA-N 316.365 -0.124 30 20 DBED N#CCNC(=O)CN1C[C@H]2C(NC(=O)CC[C@@H]3CCOC3)[C@@H]2C1 1114134138 JGBHABIQGDWGIO-JHJVBQTASA-N 320.393 -0.511 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1[C@@H]2CN(Cc3cncs3)C[C@@H]21 1114159454 FQCTXPPPZQSZFM-JYAVWHMHSA-N 318.402 -0.171 30 20 DBED C#CCN1C[C@H]2C(NC(=O)CCNC(=O)c3ccncc3)[C@@H]2C1 1114366090 KJUIHEHMXFNMSY-ZIAGYGMSSA-N 312.373 -0.119 30 20 DBED N#Cc1nccc(N2C[C@H]3C(CNC(=O)CC(N)=O)[C@@H]3C2)n1 1114547457 WOHPTDKCRKEFMW-UWVGGRQHSA-N 300.322 -0.978 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)CCc3cnn(C)n3)[C@@H]2C1 1114841498 XJKZDHZUSZZTQE-ZIAGYGMSSA-N 317.393 -0.556 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3nccs3)[C@H]2C1 1115008333 YXQIEUSLBSPBSH-UWVGGRQHSA-N 304.375 -0.448 30 20 DBED COC[C@@H](C)CC(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1115053216 MVGLAJPJIWUHSJ-UUIJZJDISA-N 308.382 -0.655 30 20 DBED C=CCCN1C[C@H]2[C@H](NC(=O)CC[C@@H]3NC(=O)NC3=O)[C@H]2C1 1115216213 FCTDDBOATAHXLG-SRRSOLGSSA-N 306.366 -0.403 30 20 DBED COCC#CCN1C[C@@H]2C(NC(=O)c3cn(C)c(=O)n3C)[C@H]2C1 1115306372 NOLUNCDBIFWZQK-RYUDHWBXSA-N 318.377 -0.966 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 1117529383 VSXFPFKUURBJEQ-JHJVBQTASA-N 311.382 -0.717 30 20 DBED C[C@@H](O)CN(C(=O)C(=O)NC1CCN(CC#N)CC1)C1CC1 1118340042 DOSIFCNECLSWIU-LLVKDONJSA-N 308.382 -0.538 30 20 DBED C[C@@H]1CN(C(=O)NCC#CCO)CC[C@@H]1N1CCN(C)CC1 1119617891 XKRXIYNSWXLLJE-CABCVRRESA-N 308.426 -0.351 30 20 DBED C#CCNC(=O)C1CCN(C(=O)C(=O)N[C@H]2COC[C@H]2C)CC1 1119838968 XZDLXKLURKRROD-YPMHNXCESA-N 321.377 -0.875 30 20 DBED CC(C)CO[C@H](C)C(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1 1121159299 SOVDGWMACRHGJJ-NEPJUHHUSA-N 321.381 -0.280 30 20 DBED C[C@H](C(=O)NC[C@H](CO)Nc1cnc(C#N)cn1)n1cncn1 1121345783 FTJPATRTIFJAEQ-MWLCHTKSSA-N 316.325 -0.910 30 20 DBED N#Cc1nccnc1N[C@@H](CO)CNC(=O)Cn1ccnc1 1121717960 KKWVUSGENXFGSG-SNVBAGLBSA-N 301.310 -0.866 30 20 DBED CC1(C(=O)NC[C@@H](CO)N=c2cc[nH]c(C#N)n2)CCOCC1 1121785463 PGZCDMIFMCZIPL-NSHDSACASA-N 319.365 -0.524 30 20 DBED COCCO[C@@H](C)C(=O)NC[C@@H](CO)Nc1cncc(C#N)n1 1122012135 GUOUXRLDFCZJSD-JQWIXIFHSA-N 323.353 -0.711 30 20 DBED Cn1c(C(=O)NC[C@H](CO)Nc2ccc(C#N)nc2)cnc1O 1122304239 OZMYEODIBDWISD-LLVKDONJSA-N 316.321 -0.405 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)C1=COCCC1 1124162242 BTVYBZKGAUNFCA-GFCCVEGCSA-N 317.349 -0.304 30 20 DBED COCCCC(=O)N(C)C[C@@H](O)CN=c1cc[nH]c(C#N)n1 1124179882 KZCYUCHOAAZIEC-NSHDSACASA-N 307.354 -0.572 30 20 DBED Cc1ncc(C(=O)N(C)C[C@@H](O)CN=c2cc[nH]c(C#N)n2)[nH]1 1124206915 GTDJHMKXGOPXRF-JTQLQIEISA-N 315.337 -0.653 30 20 DBED CO[C@H](C(=O)N(C)C[C@@H](O)CN=c1cc[nH]c(C#N)n1)C1CC1 1124289781 JKYOJTUSBUKVSS-FZMZJTMJSA-N 319.365 -0.574 30 20 DBED Cn1ncc(C2CCC2)c1C(=O)NCCNCC(=O)NCC#N 1127731384 PFEGRKBJDJWVPL-UHFFFAOYSA-N 318.381 -0.353 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)C(=O)Nc1ccccc1 1130791413 RCYLDCQUVQIYQY-LBPRGKRZSA-N 316.361 -0.531 30 20 DBED C#CCNC(=O)CNCCNC(=O)C[C@@H]1CC[C@@H](C2CC2)O1 1131585188 HZKLQPQDKXRFKB-KBPBESRZSA-N 307.394 -0.211 30 20 DBED C=C[C@@H](C)[C@@H](C)C(=O)NCCNCc1cc(=O)n(C)c(=O)n1C 1132577671 YPNVSTAIPNKYNF-VXGBXAGGSA-N 322.409 -0.252 30 20 DBED C=CCCCN[C@H](C)C[C@H](C)NC(=O)CNS(=O)(=O)NC 1135118293 HHGRPHNKCDEMJL-NEPJUHHUSA-N 320.459 -0.121 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)c1cn(C)c(O)n1 1135386304 FDWFJJZWMFDTGO-GHMZBOCLSA-N 321.381 -0.638 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)c1ccnnc1 1135537163 XROYPWZMINCLAS-NWDGAFQWSA-N 303.366 -0.288 30 20 DBED COCC#CCN1CCC2(C1)CN(C(=O)CC(=O)N(C)C)C2 1148402487 UHIPPMPVJOHCKF-UHFFFAOYSA-N 307.394 -0.351 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cccc(N(C)C)c1 1148954646 IQGXWZVJXDKADM-UHFFFAOYSA-N 302.378 -0.179 30 20 DBED N#CCNC(=O)CN1CCCO[C@H](CNC(=O)c2ccc[nH]2)C1 1149144825 VJEBLZHJKUKMEK-GFCCVEGCSA-N 319.365 -0.525 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)CNC(=O)CC 1152444170 QOBJYFQQAYXYBJ-GFCCVEGCSA-N 310.398 -0.911 30 20 DBED COCC1(CNC(=O)c2ncn(C)n2)CCN(CC#N)CC1 1162246825 MAJRQSOUDXKKIY-UHFFFAOYSA-N 306.370 -0.203 30 20 DBED C#CCN1CCC(CNC(=O)[C@@H]2CCNC2=O)(COC)CC1 1162401711 UMMCSLFLXCCTJS-CYBMUJFWSA-N 307.394 -0.400 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)NCCCNC(=O)c1cnco1 1163542410 HPQRBBGIUZPDPE-SNVBAGLBSA-N 323.353 -0.216 30 20 DBED N#CCNC(=O)CNCC1(CCNC(=O)Cc2cnc[nH]2)CC1 1167333271 FVMCYAUPNHRZGT-UHFFFAOYSA-N 318.381 -0.532 30 20 DBED CC#CCNCC1(CCNC(=O)CN2C(=O)CN(C)C2=O)CC1 1168023926 RDGCNQPCQSDUAS-UHFFFAOYSA-N 320.393 -0.220 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)C1(C(=O)NC)CCC1 1171757988 RUQZJQCUGZKXDI-LBPRGKRZSA-N 322.409 -0.864 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H]2OCCN(CC#C)[C@@H]2C1 1176982700 HLELAZHYNFCCCH-ZIAGYGMSSA-N 303.362 -0.939 30 20 DBED C#CCNC[C@H]1CCN(C(=O)CN2CCC(=O)NC2=O)C[C@H]1C 1185446109 KGMJMLCJRMREAS-CHWSQXEVSA-N 320.393 -0.364 30 20 DBED N#CCNC(=O)CN[C@@H]1CCN(C(=O)COC[C@H]2CCCO2)C1 1188438186 JBPHDEKNHHPIKO-CHWSQXEVSA-N 324.381 -0.988 30 20 DBED Cc1cnn(CC(=O)N2CC[C@@H](N(C)CC(=O)NCC#N)C2)c1 1189123991 TWIKLKOPUDQRQT-CYBMUJFWSA-N 318.381 -0.636 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](N(C)C[C@@H]2CCOC2)C1 1189769823 MHQPPNTVIVGAFF-KBPBESRZSA-N 307.394 -0.305 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)Cc2nnc(C)o2)C1 1189963075 JTOWPLIPWGWLPS-LBPRGKRZSA-N 321.381 -0.245 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@@H](N(C)Cc2cnnn2C)C1 1190093928 FCLZYGYJYKAZOF-CHWSQXEVSA-N 305.382 -0.114 30 20 DBED C=C(C)CN(C)[C@H]1CCN(C(=O)CNS(=O)(=O)NC)C1 1191550780 HHICDLLCTAUTKA-NSHDSACASA-N 304.416 -0.851 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2ccoc2CC)C1 1192571659 QSZXNRCAJYDAGW-CHWSQXEVSA-N 319.361 -0.634 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@@H]1CCN(C(=O)CC(=O)N(C)C)C1 1192760213 WNIUXBVCEQQDEY-QWHCGFSZSA-N 322.409 -0.865 30 20 DBED CN(CC#N)[C@H]1CCN(C(=O)CCCCCS(N)(=O)=O)C1 1194630205 YGXBGOOQHUZRKD-LBPRGKRZSA-N 316.427 -0.108 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)CC2(C)CC2)C1 1194860589 SIUPJUJEEPNKRF-JHJVBQTASA-N 307.394 -0.524 30 20 DBED C#CCNC(=O)[C@H](C)N1CCCN(C(=O)c2cnn(C)n2)CC1 1197436103 WOFLYAQQIZBYCO-LBPRGKRZSA-N 318.381 -0.899 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)C(C)(F)F)CCCO1 1199683033 LBVQOQPJCKVXGK-LLVKDONJSA-N 317.336 -0.402 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)Cc2nnc(C)o2)CC1 1200364095 ZBCKAFODYSVPFX-UHFFFAOYSA-N 321.381 -0.197 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCCO[C@@H](CNCC(=O)NC)C1 1200366275 BFNPBBYHTRXTGB-SWLSCSKDSA-N 313.398 -0.733 30 20 DBED CNC(=O)NC(=O)CNC1CCN(C(=O)C#CC2CC2)CC1 1200434195 INABBKQLDJOZJY-UHFFFAOYSA-N 306.366 -0.564 30 20 DBED C#CCNC(=O)[C@H](C)NC1CCN(C(=O)[C@H](C)OCC#C)CC1 1200540726 DPOOAQSVDMNRSV-KBPBESRZSA-N 319.405 -0.257 30 20 DBED C=CCNC[C@@H]1CN(C(=O)[C@@H](C)N2C(=O)CCC2=O)CCCO1 1200635143 RYBBZVHJPWKHKT-CHWSQXEVSA-N 323.393 -0.083 30 20 DBED C#CCNC[C@H]1CN(C(=O)C[C@H]2CCN(C)C2=O)CCCO1 1200777904 MZZGYFKKMMQHTC-KGLIPLIRSA-N 307.394 -0.305 30 20 DBED N#CCNC[C@@H]1CN(C(=O)c2ccc(C(N)=O)o2)CCCO1 1200931508 VTRZSOROMQJELB-SNVBAGLBSA-N 306.322 -0.277 30 20 DBED C#CCNC(=O)CNC[C@H]1CN(C(=O)CCCF)CCCO1 1201177636 MHFWCDDJYCARKB-ZDUSSCGKSA-N 313.373 -0.307 30 20 DBED C=CCNC[C@H]1CN(C(=O)[C@@H](C)NS(C)(=O)=O)CCCO1 1201507440 VUAAOSRUXAVHHV-NEPJUHHUSA-N 319.427 -0.683 30 20 DBED CNC(=O)C1(C(=O)N2CCCO[C@H](CNCC#N)C2)CCC1 1201925003 WLYXRYQSLMWBJZ-GFCCVEGCSA-N 308.382 -0.367 30 20 DBED C#CCNC[C@H]1CN(C(=O)c2ccc(=O)n(C)n2)CCCO1 1201999221 SBDMRAGQOCMIRQ-LBPRGKRZSA-N 304.350 -0.766 30 20 DBED C#CCOCCC(=O)N[C@H]1C[C@@H](NCC(=O)NC)C12CCC2 1202921862 ZDGRDHAJDMTEMC-OLZOCXBDSA-N 307.394 -0.211 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCC(CNCc2nnnn2C)CC1 1205119264 QGYKDLFEVWAUDI-OAHLLOKOSA-N 322.413 -0.135 30 20 DBED C#CCNCC1CCN(C(=O)[C@H](CCC(N)=O)NC(C)=O)CC1 1206608206 NCWUVHLXNLGMCM-AWEZNQCLSA-N 322.409 -0.782 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCCN(C(=O)Cn2cccn2)C1 1207300036 YVKXYGXANYZXSY-KBPBESRZSA-N 317.393 -0.398 30 20 DBED CCc1n[nH]cc1C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1207805690 YIBCCZXOWFQXBO-ZWNOBZJWSA-N 318.381 -0.338 30 20 DBED COCC#CCN1C[C@@H](NC(=O)C(=O)N2CC[C@@H](C)C2)[C@H](C)C1 1210159841 YSYVHVVKMBMQFF-RBSFLKMASA-N 321.421 -0.059 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)C[C@@H]2CCN(C)C2)C1 1210673866 IKUZUVQHIJGDIA-LSDHHAIUSA-N 320.437 -0.342 30 20 DBED C=C(C)CN[C@@H]1CN(C(=O)CNS(=O)(=O)CC)C[C@H]1C 1214759789 FYBCJRDAUONGAD-VXGBXAGGSA-N 303.428 -0.062 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)C=C1CCC1 1217626335 ZEGIVXDDWMXSDG-LSDHHAIUSA-N 317.389 -0.242 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2nncs2)C[C@@H]1O 1219605510 UTJSPPXNAUUCJW-AXFHLTTASA-N 310.379 -0.762 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)CCC(F)F)C1 1220023209 ZQQSXTZDTLSXAD-AXFHLTTASA-N 319.352 -0.116 30 20 DBED CC#CCN1CCC(CNC(=O)CN(C)S(C)(=O)=O)CC1 1223383275 UOWZAXAWTBIDMD-UHFFFAOYSA-N 315.439 -0.271 30 20 DBED C=CCNC(=O)CN1CCC(CNC(=O)c2cnn[nH]2)CC1 1223713341 VMXVXTOMNYDFNW-UHFFFAOYSA-N 306.370 -0.451 30 20 DBED C=CCN1CCC(CNC(=O)CNS(=O)(=O)NC)CC1 1223945426 QTZZYGJBQIZGAV-UHFFFAOYSA-N 304.416 -0.946 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CCCC[C@H]1NC(=O)CNC(C)=O 1224546551 ISHUNLPICYYEIS-IACUBPJLSA-N 324.425 -0.170 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCC#N 1226186996 GGUQRNVSQSEPFK-BFHYXJOUSA-N 320.393 -0.319 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)c2n[nH]c(C)c2O)CC1 1226884406 QOKYKBHXDMSCNW-UHFFFAOYSA-N 319.365 -0.633 30 20 DBED C=CCN1CCS(=O)(=O)[C@H](CCNC(=O)c2ccnnc2)C1 1230502825 PMNMRMZCNKBCLK-CYBMUJFWSA-N 324.406 -0.119 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)CCCC(=O)NC 1233847223 NQKSMNDZYAJMGL-CYBMUJFWSA-N 322.409 -0.815 30 20 DBED N#CCC1(CNC(=O)C(=O)NCCOC[C@H]2CCOC2)CC1 1258211566 OPHRCMOKPWDAFU-LBPRGKRZSA-N 309.366 -0.034 30 20 DBED COC(=O)C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)CCO1 1261449542 FDVRKFXWKHWONT-QJPTWQEYSA-N 323.349 -0.415 30 20 DBED C[C@@](CO)(NC(=O)NCCN/C(O)=C1\N=CC=CC1=O)C1CC1 1319247904 NCXKGZDGXLHDSC-LHNRBYRGSA-N 322.365 -0.027 30 20 DBED C=CCNC(=O)CNC(=O)[C@@H](C)S(=O)(=O)C1CCOCC1 1319869158 CIDDQBBNEKUTLI-SNVBAGLBSA-N 318.395 -0.613 30 20 DBED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1cc(C)nn1CCC#N 1321206612 PXXHZLVQLAWVKU-GFCCVEGCSA-N 317.349 -0.066 30 20 DBED Cn1cc(-c2n[nH]cc2C(=O)NCCn2cnc(C#N)n2)cn1 1323289178 TUEBQBCKVAAGNF-UHFFFAOYSA-N 311.309 -0.297 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)N[C@@H]2CCc3n[nH]cc3C2)CCO1 1325632929 MRTDDUNWDPFSJG-MNOVXSKESA-N 303.322 -0.866 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N[C@H]1CC(=O)N(C(C)C)C1 1326174185 VYRIQIFGLZEKDN-LBPRGKRZSA-N 311.382 -0.227 30 20 DBED CCN(CCS(C)(=O)=O)C(=O)C(=O)N[C@@H]1CC[C@H](C#N)C1 1326718201 GZZURCUEMHJNHY-WDEREUQCSA-N 315.395 -0.312 30 20 DBED C[C@H](CN1CCOCC1)N(C)C(=O)C(=O)N[C@@H]1CC[C@H](C#N)C1 1326719422 VVXLUPWBJBAWMD-HZSPNIEDSA-N 322.409 -0.026 30 20 DBED C[C@H]1N(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)CCOC1(C)C 1327025062 RQHMSNMXQZLALZ-ABAIWWIYSA-N 309.366 -0.111 30 20 DBED C=C[C@H](CO)NC(=O)C(=O)Nc1c(C(=O)OCC)cnn1C 1328316867 NSVOCKUGEGYAMY-MRVPVSSYSA-N 310.310 -0.802 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)NC1CCN(CC#N)CC1 1328354098 YMRYMWIRYSNYEU-UHFFFAOYSA-N 320.393 -0.411 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N[C@H](C)c1nnnn1C1CC1 1329943933 JEJXEBQERQTRHQ-BDAKNGLRSA-N 308.342 -0.498 30 20 DBED C#CCCCn1nnnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1334180323 QIMYUVSWLCMLJF-ZDUSSCGKSA-N 318.381 -0.086 30 20 DBED C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)NCCC#N)cc1 1337312142 GGWYMZMKLFJTSR-SNVBAGLBSA-N 311.363 -0.011 30 20 DBED C=CC[C@@H](NS(=O)(=O)[C@H](C)C(=O)N(C)C)C(=O)OCC 1339289003 UDPPDNRLWPABCZ-NXEZZACHSA-N 306.384 -0.110 30 20 DBED C#CCC[C@H](O)CNC(=O)C(=O)Nc1cnc2c(c1)COCC2 1344553534 TZTVYUYYZXTMBE-ZDUSSCGKSA-N 317.345 -0.017 30 20 DBED CC(C)OC(=O)CCNC(=O)C(=O)N1CC[C@](O)(CC#N)C1 1349168484 AHOITWZPBZMAJR-CQSZACIVSA-N 311.338 -0.679 30 20 DBED C#CCN1CCN(c2nnc([C@@H]3CCNC(=O)C3)n2C)CC1 1350843293 VNMXXPLROGATFH-GFCCVEGCSA-N 302.382 -0.436 30 20 DBED COC(=O)C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C#N)C2)CCO1 1353023702 LUMMMZBIWBPKTJ-NWDGAFQWSA-N 323.349 -0.461 30 20 DBED N#Cc1cn(CC(=O)NC2(C3CC3)CCOCC2)c(=O)nc1O 1362463320 PFVACBNOBWGRJB-UHFFFAOYSA-N 318.333 -0.104 30 20 DBED N#Cc1cccc(CNC(=O)CN2CC[C@@H](O)[C@@H](CO)C2)c1 1363816868 PWAYRYGVTKULFP-HUUCEWRRSA-N 303.362 -0.150 30 20 DBED N#CCCN1CCN(C(=O)N[C@@H]2CCc3nnnn3CC2)CC1 1364671172 DEDAHFSRZAJBBW-GFCCVEGCSA-N 318.385 -0.381 30 20 DBED C[C@H](C#N)C(=O)N(C)C[C@H]1CCN(C(=O)C2(NC(N)=O)CC2)C1 1374472398 JMPIAONYNYNRQM-GHMZBOCLSA-N 321.381 -0.346 30 20 DBED CC(C)CN1C[C@H](C(=O)N2CC(NC(=O)[C@@H](C)C#N)C2)CC1=O 1374751423 RKFWZXKJXLAXFG-NWDGAFQWSA-N 320.393 -0.022 30 20 DBED C[C@H](C#N)C(=O)NC[C@@]1(C)CCN(C(=O)Cn2cnnn2)C1 1379799780 GVHPSSQWUIQYBU-ZWNOBZJWSA-N 305.342 -0.812 30 20 DBED Cc1nc(CCn2c(C)nnc2N2CCO[C@H](C#N)C2)n[nH]1 1381600586 QPRCHPOEEJZZJF-LLVKDONJSA-N 302.342 -0.015 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)CCc2ccncc2)C1 1384022799 SAXLVLPVJUWTNW-MRVWCRGKSA-N 316.361 -0.138 30 20 DBED CCN1CCO[C@H](C(=O)N(CC)CCNC(=O)[C@H](C)C#N)C1 1388408433 RIMCPLJZSBYZPJ-OLZOCXBDSA-N 310.398 -0.169 30 20 DBED CC(=O)N[C@@H](C)C(=O)N1CC2(CCN(C(=O)[C@H](C)C#N)C2)C1 1405975247 KHQVKPLTEIHZBX-MNOVXSKESA-N 306.366 -0.268 30 20 DBED CNC(=O)NCC(=O)NCC[C@@H](C)NC(=O)c1c[nH]c(C#N)c1 1408471607 NEVFORIWUDKDGU-SECBINFHSA-N 320.353 -0.560 30 20 DBED Cc1nn(C)c(N2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)c1C#N 1412033724 KXITXUUDFCBCDD-MNOVXSKESA-N 316.365 -0.630 30 20 DBED CC[C@@H](C)C[C@@H](CO)NC(=O)Cn1cc(C#N)c(O)nc1=O 1412275754 FRTWIDZUUCYDEG-KOLCDFICSA-N 308.338 -0.266 30 20 DBED CCC(=O)NCC(=O)N[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 1414769044 YDNOCKWOJGUHBY-LLVKDONJSA-N 317.349 -0.257 30 20 DBED CNC(=O)NC(=O)CN(C)[C@@H](C)CNC(=O)c1cc(C#N)c[nH]1 1424930392 KTNRXSZRBNPFBN-VIFPVBQESA-N 320.353 -0.608 30 20 DBED CCc1nn(C)cc1C(=O)NC[C@@H](O)CNC(=O)[C@H](C)C#N 1431554082 UJNGYVUBEIXRCM-ZJUUUORDSA-N 307.354 -0.651 30 20 DBED CC[C@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)c1ncn(C)n1 1432639995 NMVVJYCVJWNXBE-SNVBAGLBSA-N 315.337 -0.047 30 20 DBED C[C@@H]1[C@H](CO)CCN1C(=O)CCn1cc(C#N)c(O)nc1=O 1433946795 GBPODHKIERYRSG-ZJUUUORDSA-N 306.322 -0.560 30 20 DBED Cc1nn(C)cc1CCC(=O)NC[C@H](O)CNC(=O)[C@@H](C)C#N 1452411974 QUEURYFEZHRAIQ-GWCFXTLKSA-N 321.381 -0.586 30 20 DBED COC(=O)NCC(=O)N(C)CCN(C)C(=O)c1c[nH]c(C#N)c1 1457737058 VEALDDTULBXCSP-UHFFFAOYSA-N 321.337 -0.227 30 20 DBED C#CCCNC[C@@H]1CCCCN1C(=O)[C@H](C)NS(C)(=O)=O 1480363133 QZSXEWLLYBQVPP-STQMWFEESA-N 315.439 -0.082 30 20 DBED C[C@H](CN1CC(NC(=O)c2cc(C#N)c[nH]2)C1)CS(C)(=O)=O 1481552378 ORFDOJQKXVXROH-SNVBAGLBSA-N 324.406 -0.019 30 20 DBED COCC#CCN[C@H]1CCN(C(=O)Cn2ccc(C)cc2=O)C1 1490843360 XPDKRUOZQHHBSU-HNNXBMFYSA-N 317.389 -0.003 30 20 DBED CCn1nc(C(=O)N(C)CCNC(=O)[C@@H](C)C#N)ccc1=O 1496498623 CIPYPZHNKLMUHR-JTQLQIEISA-N 305.338 -0.389 30 20 DBED N#Cc1ccc(C(=O)NC2(CNC(=O)[C@H]3COCCO3)CC2)[nH]1 1535133006 BJIYFDVICQLLNY-GFCCVEGCSA-N 318.333 -0.320 30 20 DBED N#Cc1ncc(N2CCN3C(=O)OC[C@@H]3C2)nc1-c1nn[nH]n1 1581883194 QZTWXZZCVDWFFA-ZETCQYMHSA-N 313.281 -0.831 30 20 DBED C#C[C@@H](NS(=O)(=O)N1CCC[C@H]1C(=O)O)C1CCOCC1 1588386382 QFJKDSIFUWWEPJ-NEPJUHHUSA-N 316.379 -0.202 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC(N2C[C@H](C(=O)O)CC2=O)CC1 1588430471 MDBQHDSCOYMEPV-NWDGAFQWSA-N 321.377 -0.478 30 20 DBED C=CCCn1cc(C(=O)O[C@H]2CCN(CC(=O)O)C2=O)nn1 1588460684 RXTHANOKLOHOJI-JTQLQIEISA-N 308.294 -0.304 30 20 DBED C=C(C)C[C@H](NC(=O)CN1CCN(CC)C(=O)C1=O)C(=O)O 1588542512 JPBWTEUYKXDSDD-JTQLQIEISA-N 311.338 -0.787 30 20 DBED C=CCCCNC[C@H](O)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 1588601213 ZCDSIYDSTOMSHX-NSHDSACASA-N 319.369 -0.159 30 20 DBED C=CCNC(=O)CN1CCN(c2ncc(C(=O)O)cn2)CC1 1588844775 TWIXMFWIZPWQRN-UHFFFAOYSA-N 305.338 -0.401 30 20 DBED N#Cc1nc(NC(=O)C[C@@H]2CCC(=O)N2)[nH]c1-c1nn[nH]n1 1592682836 FTSYTOIPJKYPBP-YFKPBYRVSA-N 301.270 -0.931 30 20 DBED N#CCCN1CCN(C(=O)NC2CCN(CC(=O)O)CC2)CC1 1594610041 HYGFQKCBWBGHNO-UHFFFAOYSA-N 323.397 -0.224 30 20 DBED N#CC[C@@H]1CCCN(C(=O)C(=O)N2CCO[C@H](CC(=O)O)C2)C1 1601063433 VLYJIJQDSQBVAA-NWDGAFQWSA-N 323.349 -0.159 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3C[C@H]3C(=O)O)C2)[nH]1 1601093659 WTMOFXUGQILSJX-ZRUFSTJUSA-N 316.317 -0.016 30 20 DBED Cc1nc(C)c(C(=O)NCCCN(C)CC(=O)NCC#N)o1 1751957226 GXKFJXJDWKRJCR-UHFFFAOYSA-N 307.354 -0.017 30 20 DBED C[C@@H](N[C@H]1C[C@@H](NC(=O)CSCC#N)C1)c1nnnn1C 1752713104 MTFVAIZAOUFTMV-BBBLOLIVSA-N 309.399 -0.235 30 20 DBED C[C@H](NC(=O)C#CC1CC1)[C@H]1CCCN(CC(=O)NC(N)=O)C1 1752835189 CEEORRYOZCQQMS-AAEUAGOBSA-N 320.393 -0.189 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC(CNC(=O)CC[C@@H]2CCOC2)C1 1753399380 HQAKJZKLRHOTJE-ZIAGYGMSSA-N 321.421 -0.011 30 20 DBED CCN(C(=O)Cc1cnoc1)[C@@H]1CCN(CC(=O)NCC#N)C1 1753459434 NGBQZJZYWUXHNC-CYBMUJFWSA-N 319.365 -0.220 30 20 DBED C#CCNC(=O)CNC1(CNC(=O)[C@H](O)C(C)C)CCCC1 1753663036 ZAGAOPDHVLQKPV-CQSZACIVSA-N 309.410 -0.229 30 20 DBED C#CCNC[C@@H](O)CNC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F 1753913712 BBZQQULACORAQK-BBBLOLIVSA-N 310.272 -0.967 30 20 DBED COCC#CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)CN1CCOCC1 1754424250 SWJYFXYMAWOZBS-YCPHGPKFSA-N 307.394 -0.843 30 20 DBED C#CCNC(=O)[C@@H](C)NCCN(CCO)C(=O)c1cc(C)co1 1754889377 QKUHEZGRRYHGID-CYBMUJFWSA-N 321.377 -0.250 30 20 DBED CN(CC#N)C[C@@H]1CCCN1C(=O)CN1CC(=O)N(C)C1=O 1755201421 RRBONGJTJLDRCN-NSHDSACASA-N 307.354 -0.673 30 20 DBED CCc1noc(COCC(=O)NCC2[C@H]3CN(CC#N)C[C@H]23)n1 1755433303 CMJFCSSVSXQGAZ-VXGBXAGGSA-N 319.365 -0.034 30 20 DBED CC(C)C#CC(=O)NCCOCCN(C)CC(=O)NCC#N 1755545220 RJZMJOVNMKPHIW-UHFFFAOYSA-N 308.382 -0.650 30 20 DBED Cc1nocc1C(=O)N1C[C@@H](NCC(=O)NCC#N)C[C@@H]1C 1755681602 MYJSEDXSIKHIME-ONGXEEELSA-N 305.338 -0.185 30 20 DBED C#CCCN(C)C[C@@H](O)CN(C)C(=O)[C@@]1(C)CCNC(=O)C1 1755802450 VOOIIAKOVWGJLY-CJNGLKHVSA-N 309.410 -0.323 30 20 DBED COCC#CCN(C)C[C@H](O)CN(C)C(=O)CN1CCCC1 1755808272 SRAUGGNXICTYGD-HNNXBMFYSA-N 311.426 -0.517 30 20 DBED C[C@@H](CNC(=O)C#CC1CC1)N(C)C(=O)C[C@@H]1CCNC1=O 1756024768 UOMIXUINXUQTAE-AAEUAGOBSA-N 305.378 -0.111 30 20 DBED C#CCO[C@H](C)C(=O)N(C)[C@@H](C)CNC(=O)Cn1ccnc1 1756041850 KOBSRZFLPRLADP-QWHCGFSZSA-N 306.366 -0.116 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(C)cc2=O)C1 1757030980 MDFIGRSXOCVZRM-TZMCWYRMSA-N 319.361 -0.049 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H]1CN(C)C(=O)COCCC 1757276705 ALKFXAXAYMCDFH-ZDUSSCGKSA-N 323.393 -0.388 30 20 DBED C=CCCC(=O)N1CC[C@@H](NC(=O)c2cnn(C)c2N)[C@@H](O)C1 1757567341 QZGZWILIKMTRHX-NEPJUHHUSA-N 321.381 -0.340 30 20 DBED N#Cc1cncc(S(=O)(=O)NC(=O)[C@H]2CCNC(=O)C2)c1 1771715755 XIYWEWPFITXPIO-VIFPVBQESA-N 308.319 -0.716 30 20 DBED C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3cc[n+]([O-])cc3)C2)C1 1779886748 YMOZJRHBQQFALA-MRXNPFEDSA-N 315.329 -0.603 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccnn1CC)CCO2 1783049533 CWJBYAVBZPJFGM-MRXNPFEDSA-N 316.361 -0.020 30 20 DBED C#CCCC(=O)N1CCO[C@@]2(CCN(C(=O)CNC(C)=O)C2)C1 1783150034 KUTXVSCKATVNMQ-MRXNPFEDSA-N 321.377 -0.634 30 20 DBED C#CC(=O)N[C@H]1CCc2nc(NC(=O)C(=O)N(C)C)sc2C1 1814631205 BWDRUOBBEXDDDG-QMMMGPOBSA-N 320.374 -0.224 30 20 DBED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccco1)CCO2 1833926758 OCBDPJVTAHBACY-MRXNPFEDSA-N 318.329 -0.017 30 20 DBED CC[C@H](C)[C@@H](O)C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846194815 RPHNLIYTTJMTCJ-SMDDNHRTSA-N 322.361 -0.315 30 20 DBED C=CCC(=O)N1CCCC12CN(C(=O)C[C@@H]1NC(=O)NC1=O)C2 1846375959 QTHUNHRRFJVUPF-JTQLQIEISA-N 320.349 -0.636 30 20 DBED CN(CC(=O)N[C@@](C)(C#N)C1CC1)CC(=O)N1CCOCC1 60941681 VCXYKOGSWJZWDU-HNNXBMFYSA-N 308.382 -0.415 30 20 DBED N/C(CN1CCOCC1)=N\OCC(=O)NCc1cccs1 111181841 HSSRHHCJIXGHFU-UHFFFAOYSA-N 312.395 -0.015 30 20 DBED C#CCN1CCN(C(=O)CN(C)C(=O)[C@@H](C)n2cccn2)CC1 128151032 QFSMJYWUDVACGY-CQSZACIVSA-N 317.393 -0.320 30 20 DBED N/C(=N\CCCO[C@H]1CCOC1)NCCCN1CCOCC1 134042498 UCIMGSCQBUVXPN-AWEZNQCLSA-N 314.430 -0.191 30 20 DBED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCN(C)C(=O)C2)CC1 180670471 DFFSITJUUVIBAB-AWEZNQCLSA-N 321.425 -0.547 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H]2CNC)C1=O 262579773 IQFOWFWOJXOCGM-SNVBAGLBSA-N 308.338 -0.826 30 20 DBED N#Cc1ncccc1S(=O)(=O)NC[C@H]1CN2CCN1CC2 277188327 OLELVGFSFRRBMQ-NSHDSACASA-N 307.379 -0.769 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCc2snnc2C)C1=O 292295604 HSWKGQPTGHTQKZ-UHFFFAOYSA-N 323.334 -0.560 30 20 DBED C[C@H]1CN(c2c(C#N)c(=O)n(C)c(=O)n2C)CCN(C2CC2)C1 295019818 URZPFSKPGNCKDI-LLVKDONJSA-N 317.393 -0.124 30 20 DBED C#CCCN1CCN(C(=O)[C@H]2CC(=O)N(CCOC)C2)CC1 299309948 JKVDJPYZHBFSOL-AWEZNQCLSA-N 307.394 -0.351 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCc2nccs2)C1=O 299495729 HBNSWPHVESIRGZ-UHFFFAOYSA-N 308.319 -0.264 30 20 DBED C[C@H](C/N=C(/O)[C@@H]1COCCO1)N(C)C(=O)[C@@H]1COCCO1 329356214 GXUZBLXYPNJRCV-WOPDTQHZSA-N 316.354 -0.379 30 20 DBED C[C@H]1CCN(/C(O)=N/CCN2CCOCC2)CCS1(=O)=O 330241575 JCJYDYCIDHADOD-LBPRGKRZSA-N 319.427 -0.258 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N1CCN(CCCO)CC1 330379752 TXHKTIRRFRVIPE-GFCCVEGCSA-N 304.416 -0.677 30 20 DBED CCS(=O)(=O)C[C@@H](C)N/C(O)=N/CC(=O)N1CCOCC1 330692255 ZRQDKFVSPPOLCO-SNVBAGLBSA-N 321.399 -0.828 30 20 DBED Cn1c(N)c(C(=O)CN[C@@H]2CCC[C@@H]2C#N)c(=O)n(C)c1=O 330804292 BPFSWDNZDJTWEU-RKDXNWHRSA-N 305.338 -0.869 30 20 DBED CC[C@H]1CN(C(=O)Cn2cnc(C#N)n2)CCN1C[C@H](C)O 331183174 ZZFSQZMGGOOOCP-RYUDHWBXSA-N 306.370 -0.547 30 20 DBED N#Cc1ncn(CCNC(=O)N2CCOC[C@H]2[C@H]2CCCO2)n1 332821607 NROCAXADQAZYHB-NWDGAFQWSA-N 320.353 -0.261 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)NCc2cccc(CO)c2)CCO1 337081548 YNQKWHZNISPVGZ-CYBMUJFWSA-N 311.363 -0.262 30 20 DBED C=CCCCNC(=O)C(=O)NCCS(=O)(=O)N(CC)CC 343857624 DHTZFIVNJFRBGF-UHFFFAOYSA-N 319.427 -0.143 30 20 DBED CSCC[C@@](C)(C#N)NC(=O)Cn1ccc(=O)n(C)c1=O 344654767 FXBQRXRRFWJIKC-ZDUSSCGKSA-N 310.379 -0.301 30 20 DBED CCOC(=O)C1(CNC(=O)NCCn2cnc(C#N)n2)CC1 345772492 ACUMSERULDCTMN-UHFFFAOYSA-N 306.326 -0.208 30 20 DBED CN(C)C(=O)NCCN(C)S(=O)(=O)c1cccnc1C#N 352321413 XXKRASUDMNZOTP-UHFFFAOYSA-N 311.367 -0.155 30 20 DBED CNS(=O)(=O)c1ccc(C(=O)Nc2n[nH]c(C)c2C#N)cn1 357155540 GINNOHNHQDBCTF-UHFFFAOYSA-N 320.334 0.145 30 20 DBED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N[C@@H]2CCOC2)n1 359353545 VQZYTDKSDZWMOA-SNVBAGLBSA-N 305.338 0.353 30 20 DBED Cc1cc(NC(=O)C(=O)N[C@H]2C[C@H](O)C2(C)C)nn1CCC#N 426851273 OMAYEUUSTHQJHK-QWRGUYRKSA-N 319.365 0.319 30 20 DBED C#CCNC(=O)CN1CCN(Cc2nc(C3CC3)no2)CC1 491164725 FBEQULDAIIYQJT-UHFFFAOYSA-N 303.366 -0.186 30 20 DBED C=CCOC[C@@H]1NC(=O)N([C@@H]2CCN(S(C)(=O)=O)C2)C1=O 567999536 SPHHXYZWGOKDBM-ZJUUUORDSA-N 317.367 -0.857 30 20 DBED N#Cc1cc(F)ccc1CS(=O)(=O)N1C[C@H](O)[C@@H](CO)C1 573386805 PKMJHUCOPRFYIP-YPMHNXCESA-N 314.338 -0.188 30 20 DBED CC#CC[C@@H](CO)NS(=O)(=O)c1csnc1C(=O)OC 592110196 AKXDTPLZCDSVIX-QMMMGPOBSA-N 318.376 -0.018 30 20 DBED Cc1ccc(NC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)c(O)n1 592299707 PGXBWTWCSBGCTR-AWEZNQCLSA-N 304.306 -0.089 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)NC[C@](C)(CO)CC(=O)O 593270367 JGGRNQOJCDLSPO-GXSJLCMTSA-N 307.372 -0.614 30 20 DBED CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)COc1ccccc1C#N 598024308 AINCJWHFXBXHCZ-AAEUAGOBSA-N 324.358 -0.135 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@@H](CO)CC1CC1 619712588 DPVACASTEMYNPK-GFCCVEGCSA-N 305.400 -0.156 30 20 DBED C#CCN1CCN(S(=O)(=O)[C@H]2CC[C@@H](C(=O)O)C2)CC1 712784116 XSDXFVUZNHBNNP-NEPJUHHUSA-N 300.380 -0.180 30 20 DBED Cc1cc([C@H](C#N)C(=O)c2cn(C)c(=O)n(C)c2=O)nc(C)n1 735208265 LHJSAXDKMRJBCD-JTQLQIEISA-N 313.317 -0.019 30 20 DBED C#CCNC(=O)Cn1cc(-c2nn[nH]n2)c(=O)c2ccccc21 735382349 ZFSMRKWTZHBIFZ-UHFFFAOYSA-N 308.301 -0.069 30 20 DBED C[C@H](Sc1nnnn1C1CC1)C(=O)N(CC#N)CC(=O)O 736714527 HWXPGQFSVXEYGR-ZETCQYMHSA-N 310.339 -0.075 30 20 DBED Cn1c(=O)oc2cc(C=NNC(=S)NCC(N)=O)ccc21 754946359 ZTKSVWKBUZVVIQ-UHFFFAOYSA-N 307.335 -0.585 30 20 DBED C=C(Cl)CNC(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1 755380188 HUQLDZSTJCSWSE-QMMMGPOBSA-N 306.775 -0.044 30 20 DBED C#CCCCC(=O)N(CC)CC(=O)N[C@@H]1CCS(=O)(=O)C1 757838809 WHGJSKQVCWUYHD-GFCCVEGCSA-N 314.407 -0.058 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N1CCOC[C@@H]1C[C@@H](C)O 768429750 TWVGDCODIJUOMA-NEPJUHHUSA-N 320.411 -0.232 30 20 DBED COC(=O)C1(C(=O)NS(=O)(=O)c2cncc(C#N)c2)CC1 813984704 XJUNXYWXXPHDER-UHFFFAOYSA-N 309.303 -0.289 30 20 DBED COCC(=O)NC1CCN(C(=O)[C@](C)(C#N)CC(=O)O)CC1 820702949 KKFBMCUSJYOCPR-AWEZNQCLSA-N 311.338 -0.255 30 20 DBED C/N=C(/NCCN1CCOCC1)NCC[C@@]1(O)CCCOC1 849048181 FTKYQAJVELLZMZ-HNNXBMFYSA-N 314.430 -0.585 30 20 DBED CCOCCn1cc(C(=O)NS(=O)(=O)CCC#N)cn1 857026452 HIKAYCXEUBNAQQ-UHFFFAOYSA-N 300.340 -0.107 30 20 DBED C#CCSCC(=O)NCCNS(=O)(=O)c1cccnc1 889758508 GPNFMRSTZAXSLH-UHFFFAOYSA-N 313.404 -0.158 30 20 DBED C=CCCn1cc(C(=O)N(C)[C@H]2CCN(C(=O)C(N)=O)C2)nn1 939385091 XESOKQDJTVLAFJ-JTQLQIEISA-N 320.353 -0.988 30 20 DBED C=CCn1cc(C(=O)NC2CCN(C(=O)COC)CC2)nn1 943576982 TZHCGKFXNKKRCY-UHFFFAOYSA-N 307.354 -0.169 30 20 DBED C#CCCN1CC[C@H](NC(=O)CN2C(=O)CNC2=O)[C@@H](C)C1 944787928 CPUXADBNHNHGMC-RYUDHWBXSA-N 306.366 -0.612 30 20 DBED CC[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)CC[C@@H]1NC(=O)C(N)=O 948360244 WSOXDUKCGQZZHU-MNOVXSKESA-N 317.349 -0.271 30 20 DBED O=C1CCC[C@H](C(=O)NC[C@H]2CCN2C(=O)C#CC2CC2)N1 950548562 NWKATSLTPMKOFX-CHWSQXEVSA-N 303.362 -0.214 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2CCN2C(=O)c2cnn[nH]2)nc1 951376325 CCOIFOGYFMQXHD-NSHDSACASA-N 310.317 -0.175 30 20 DBED C#CCN1C[C@H](CNC(=O)c2ccc3nnc(O)n3c2)[C@@H](O)C1 958475601 CIKLKQAMPJDRCI-RYUDHWBXSA-N 315.333 -0.909 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H]2CN(C(=O)c3ccncn3)C[C@@H]21 960878684 VOJADNJCAPNWIZ-KGYLQXTDSA-N 315.333 -0.312 30 20 DBED C#CCCN1C[C@H]2[C@H](NC(=O)[C@@H]3CN4CC5CC4(CO3)C5)[C@H]2C1 961283914 QPIRXNQUELIDLS-ZBKZBXIDSA-N 315.417 -0.081 30 20 DBED N#Cc1cc(C(=O)N2C[C@H](O)[C@H](NC(=O)c3ccc[nH]3)C2)c[nH]1 961528942 NFESKNPBPCZDNJ-OLZOCXBDSA-N 313.317 -0.170 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CN(C(=O)[C@H]3CCCNC3=O)C[C@H]2C1 961769553 CMVFVZWEPRIAOJ-RVMXOQNASA-N 318.377 -0.411 30 20 DBED Cc1cc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)ns1 962543751 YTFDVEQTKMVHKY-ONOSFVFSSA-N 308.363 -0.087 30 20 DBED CC#CCN1C[C@H]2[C@H](NC(=O)Cc3nc4ncccn4n3)[C@H]2C1 962558203 VCRUJISEWDBQHL-JYAVWHMHSA-N 310.361 -0.264 30 20 DBED C[C@H](C#N)C(=O)N1CCOC2(CN(C(=O)CC(C)(C)O)C2)C1 965472530 LEXKVUDIFYXGDH-LLVKDONJSA-N 309.366 -0.253 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(C[C@@H](NC(=O)c3cnns3)CO2)C1 965636742 DZGUVDZIXUUZIN-DTWKUNHWSA-N 321.362 -0.203 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)Cc2ccc(O)nc2)C1 968970767 VLUGHYGVFOZAQS-JLLWLGSASA-N 318.333 -0.823 30 20 DBED C=CCN1CC[C@H](N2CC([C@@H](C)NC(=O)c3nc[nH]n3)C2)C1=O 970613573 RFEVAIVRLILKOD-PWSUYJOCSA-N 318.381 -0.358 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)c3ccn(C)c(=O)c3)C2)C1 972436115 AXGUFUPILXNBRQ-KRWDZBQOSA-N 315.373 -0.065 30 20 DBED Cc1nc(CC(=O)N2CC[C@@H]3CN(C(=O)[C@H](C)C#N)[C@@H]3C2)n[nH]1 974976351 VGHAPOOKXBQQIK-YUSALJHKSA-N 316.365 -0.125 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)[C@@H]3CCC(=O)N(C)C3)[C@H]2C1 976663148 RSZDFTKXIUVADC-SVPLCASGSA-N 318.377 -0.413 30 20 DBED C[C@@H]1OCCO[C@@H]1C(=O)N[C@H]1[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]21 976739204 JZTWKCVLQIZICP-XARVFOJUSA-N 307.350 -0.477 30 20 DBED C[C@H](NCc1ccc(C#N)s1)[C@@H]1CN(C(=O)C(N)=O)CCO1 979361682 RCYVFNDIHKEQEQ-CABZTGNLSA-N 322.390 -0.189 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2nc[nH]n2)C1 983113598 HOMUXRZJKSQDRB-TUAOUCFPSA-N 319.365 -0.026 30 20 DBED N#Cc1ccc(C(=O)N2CC(NC(=O)c3nccnc3N)C2)[nH]1 990543479 VZNLHGMUXIFXOY-UHFFFAOYSA-N 311.305 -0.487 30 20 DBED N#Cc1cc(C(=O)N2CC[C@H](NC(=O)C(F)F)[C@@H](O)C2)c[nH]1 991153079 CXCRYTWEVAQNTQ-UWVGGRQHSA-N 312.276 -0.157 30 20 DBED O=C(N[C@H]1CCN(C(=O)C#CC2CC2)C[C@H]1O)c1cnon1 991701075 IXVMOIOUSVBBJE-CMPLNLGQSA-N 304.306 -0.825 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)c3cn(C)nn3)C[C@]2(C)C1 992862265 YBFPNHJLPWGJOI-RWSFTLGLSA-N 316.365 -0.105 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CN(C(=O)c3ncn(C)n3)C[C@@]2(C)C1 993344740 PLXYQCCLFJPNQP-ZIBATOQPSA-N 316.365 -0.105 30 20 DBED C[C@H]1[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)CCCN1CC#N 993411453 ICAIYZLEWKTZTO-NWDGAFQWSA-N 319.365 -0.960 30 20 DBED COCc1nn(C)cc1C(=O)NC1CN(C(=O)[C@@H](C)C#N)C1 994589099 HRFGRTCZGAZSDE-VIFPVBQESA-N 305.338 -0.333 30 20 DBED C#CCN1CCC(N(C)C(=O)CN2CCCS2(=O)=O)CC1 1005472766 CPVVAMJFERCPOE-UHFFFAOYSA-N 313.423 -0.422 30 20 DBED C[C@H](C#N)C(=O)N1CC([C@@H](C)NC(=O)c2cnc(O)n2C)C1 1006554204 AWGSRYXVWPDRSN-RKDXNWHRSA-N 305.338 -0.138 30 20 DBED C=C1CC(C)(C(=O)N2CC[C@@]3(CN(C(=O)C(N)=O)CCO3)C2)C1 1007720934 ZQGMSRMXMPCJGG-MRXNPFEDSA-N 321.377 -0.342 30 20 DBED NC(=O)C(=O)N[C@@H]1CC[C@H]2CN(C(=O)C#CC3CC3)C[C@@H]2C1 1009879063 CTVINZAREUTGFK-RWMBFGLXSA-N 303.362 -0.372 30 20 DBED C#Cc1ccc(C(=O)N2CCN(C(=O)c3ncn(C)n3)CC2)nc1 1011092023 UFNQIQPVKPWSGW-UHFFFAOYSA-N 324.344 -0.210 30 20 DBED COc1cnc(C(=O)N2CCN(C(=O)[C@@H](C)C#N)CC2)nc1 1011749598 TWXNUKBUMJYJGD-JTQLQIEISA-N 303.322 -0.071 30 20 DBED COCCN1C[C@H](C(=O)NC[C@@H]2CCCN2CC#N)CC1=O 1027916345 JSOQILPKOHSTQO-OLZOCXBDSA-N 308.382 -0.415 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCN(CC(=O)N(C)C)C1 1028601222 LLYRVCJQMOGPBU-CABCVRRESA-N 320.437 -0.390 30 20 DBED N#CCN1CC[C@H](CNC(=O)[C@@H]2CCc3nnc(O)n3C2)C1 1028640591 RHXQJHJSOGDCNU-GHMZBOCLSA-N 304.354 -0.492 30 20 DBED C=CCN1CC[C@H](N(C)C[C@@H]2CCN(C(=O)C(N)=O)C2)C1=O 1029823082 PPNFBWWWUPAQNE-RYUDHWBXSA-N 308.382 -0.961 30 20 DBED C#CCN1CC[C@@H](N(C)C(=O)[C@@H]2CCc3nnc(O)n3C2)C1 1033201478 DXMOKVLBTZEGML-VXGBXAGGSA-N 303.366 -0.288 30 20 DBED N#CCN1CCO[C@@H](CNC(=O)c2cnc3[nH]c(O)nc3c2)C1 1035419014 LWPSAFPCKKTOAM-JTQLQIEISA-N 316.321 -0.382 30 20 DBED N#CCN1CCO[C@@H](CNC(=O)c2cccc3ncnn23)C1 1035433938 GKBSUQLFKUXDJQ-NSHDSACASA-N 300.322 -0.317 30 20 DBED C[C@H]1CN(C(=O)CCn2cnccc2=O)CC[C@H]1NCC#N 1036232015 GPLBFTBICGBZCI-QWHCGFSZSA-N 303.366 -0.016 30 20 DBED N#CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1ccc(-n2cncn2)nc1 1037535364 LMQVNADKJOGKTB-MBNYWOFBSA-N 309.333 -0.012 30 20 DBED C#CCCCC(=O)NC[C@@]1(O)CCN(C(=O)[C@@]23COC[C@@H]2C3)C1 1039579276 FMBMZSMSQSHVIH-JQFCIGGWSA-N 320.389 -0.094 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@]1(O)CCN(C(=O)COCC=C)C1 1039721889 PEQGDBYRJNRHKZ-CJNGLKHVSA-N 324.377 -0.693 30 20 DBED C#CCN1[C@H]2CCC[C@H]1CN(C(=O)CC[C@H]1NC(=O)NC1=O)C2 1039995369 KOKWBMHXOXDCKV-RWMBFGLXSA-N 318.377 -0.327 30 20 DBED N#CCN1CCC[C@]2(CCN(C(=O)C[C@@H]3CC(=O)NC3=O)C2)C1 1040557803 ZRZWFKMHWQKYHQ-LRDDRELGSA-N 318.377 -0.123 30 20 DBED C=CCCCC(=O)N1CC[C@](O)(CNC(=O)c2nnn(C)n2)C1 1040596038 YTZHBEUIDAXOBT-AWEZNQCLSA-N 322.369 -0.740 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)c2ccc(O)nc2)C1 1040892094 DOEQVAQKQIZEQZ-ZUZCIYMTSA-N 318.333 -0.360 30 20 DBED COCCC(=O)NCC1(O)CN(C(=O)c2ccc(C#N)[nH]2)C1 1041050422 HYWWADQSTYMFNL-UHFFFAOYSA-N 306.322 -0.774 30 20 DBED Cc1ccc(C#N)c(N2C[C@@H](O)[C@H](NC(=O)c3cnon3)C2)n1 1041135419 VOYAKCVRKMGDMB-VXGBXAGGSA-N 314.305 -0.376 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)c2ccnn2C)C1 1041897635 MUPFLCDQNFZSDB-UHFFFAOYSA-N 304.350 -0.473 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)c2ncoc2CC)C1 1042039676 HGMIVVJTVLJNLL-UHFFFAOYSA-N 323.349 -0.257 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]3CC[C@H]2O3)C1 1042171287 SNLTWBJJHWCYDS-MGPQQGTHSA-N 320.389 -0.097 30 20 DBED C[C@@H]1OCCC[C@H]1C(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1042809230 JCUPPLXUZOUROW-GXTWGEPZSA-N 320.389 -0.096 30 20 DBED C=C(C)CCC(=O)N1CC(O)(CNC(=O)c2ncn(C)n2)C1 1042894928 CKLQBNWCQNDADT-UHFFFAOYSA-N 307.354 -0.526 30 20 DBED N#CCSCC(=O)N1CC(O)(CNC(=O)[C@@H]2CC2(F)F)C1 1042911267 QIXZNVGOQPFPGV-QMMMGPOBSA-N 319.333 -0.412 30 20 DBED C[C@H]1OCC[C@@H]1C(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042960883 PMQDUENCSNFEMN-YPMHNXCESA-N 306.362 -0.486 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2ocnc2C)C1 1043039722 INENBNCUKYBUQP-NSHDSACASA-N 321.333 -0.676 30 20 DBED CN(C(=O)CN1CCCCS1(=O)=O)C1CN(CC#N)C1 1043359431 FKBPMOOWJLJIRO-UHFFFAOYSA-N 300.384 -0.922 30 20 DBED Cn1cc(C(=O)N[C@@H]2CN(c3ccc(C#N)cn3)C[C@@H]2O)nn1 1043929271 NMLQQGKHWPNWBW-PWSUYJOCSA-N 313.321 -0.939 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)C[C@H]2CCN(C)C2)C1 1044011176 LDFPNGIHTMCUGM-CQSZACIVSA-N 321.421 -0.179 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)Cn3ccnc3)C2)cn1 1044024709 ROPVBGDJFJMFDJ-KGLIPLIRSA-N 312.333 -0.484 30 20 DBED C[C@]1(NC(=O)[C@H]2CCc3nnc(O)n3C2)CCN(CC#N)C1 1046430870 GRWVDURXSKXWFQ-HZMBPMFUSA-N 304.354 -0.350 30 20 DBED C#CCN1CC[C@@](C)(NC(=O)[C@@H]2CCc3nnnn3CC2)C1 1046638580 XNDLFIKNCNMUJG-IUODEOHRSA-N 302.382 -0.161 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3nccnc3c2)C1 1047412530 WYKKRCKUKKSRJK-KBPBESRZSA-N 311.345 -0.225 30 20 DBED C=C(C)CCN1C[C@H](O)[C@@H](N(C)C(=O)c2nnc(O)nc2O)C1 1047445241 QGUMOUKEXVXBGO-UWVGGRQHSA-N 323.353 -0.634 30 20 DBED C[C@@H]1CCN(C(=O)C(N)=O)[C@H](CNc2cnc(C#N)cn2)C1 1048317542 UOLFMRXKFCJDGG-KOLCDFICSA-N 302.338 -0.127 30 20 DBED C=CCN1C[C@H]2CN(C(=O)CC[C@@H]3NC(=O)NC3=O)C[C@H]2C1 1049207136 UJSYVCQATVVKFV-TUAOUCFPSA-N 306.366 -0.449 30 20 DBED C#CCCN1C[C@@H]2CCCN(C(=O)[C@@H]3CN(C)C(=O)N3)[C@@H]2C1 1050112606 BZMXPVNIJSNTOI-MELADBBJSA-N 304.394 -0.044 30 20 DBED Cc1ccn(CC(=O)N2CC[C@H](N3CCN(CC#N)CC3)C2)n1 1052086585 VNTFENQBKOUMMC-HNNXBMFYSA-N 316.409 -0.066 30 20 DBED C#CCCN1CCC[C@@H](NC(=O)CN2CCN(C)C(=O)C2)CC1 1052504214 ZMRXPTSWLLTOMH-OAHLLOKOSA-N 320.437 -0.246 30 20 DBED CN1CC[C@H](CC(=O)N2CCOC3(CN(CC#N)C3)C2)C1=O 1053298441 SWGPFEWRLMSDPL-GFCCVEGCSA-N 306.366 -0.708 30 20 DBED C=C(C)CN1CC2(C1)CN(C(=O)CN1C(=O)CCC1=O)CCO2 1053528668 NRRNPNDFGABFBZ-UHFFFAOYSA-N 321.377 -0.375 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2COC3(C2)CN(CC(N)=O)C3)cn1 1053984762 DOHBGQCCGPFQHJ-ZDUSSCGKSA-N 314.345 -0.879 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H](N[C@@H](CC)C(N)=O)C1 1054296179 KINLOUXLNWXSOB-ILXRZTDVSA-N 320.437 -0.072 30 20 DBED N#Cc1cnc(N[C@H]2C[C@H]3C[C@@H](C2)N(C(=O)C(N)=O)C3)cn1 1054839840 SLAGUFFQBWRELO-QXEWZRGKSA-N 300.322 -0.375 30 20 DBED C[C@H](C(=O)N1CCN(c2cncc(C#N)n2)CC1)S(C)(=O)=O 1056072532 ZNTATLACPOARCO-SNVBAGLBSA-N 323.378 -0.570 30 20 DBED Cc1nc[nH]c1C(=O)N1CCC[C@@](CO)(NC(=O)[C@@H](C)C#N)C1 1056095521 CHKPJXCLSRXJPI-ZUZCIYMTSA-N 319.365 -0.039 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)CCOCC 1057193659 NNHAMBXOUOORSG-UHFFFAOYSA-N 302.371 -0.447 30 20 DBED N#Cc1nccc(N2CCC(NC(=O)[C@@H]3COCCO3)CC2)n1 1057840565 INLNLJYEKVBBND-LBPRGKRZSA-N 317.349 -0.151 30 20 DBED C#CCN1CCC(C(=O)N(CCO)CCNC(=O)CC)CC1 1057861230 MXYYOSNRMHOXSL-UHFFFAOYSA-N 309.410 -0.321 30 20 DBED C=CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)c1cnon1 1057921423 HLDTYEISWMVDIG-JTQLQIEISA-N 312.326 -0.789 30 20 DBED Cc1ccn(CC(=O)N(CCO)CCNC(=O)[C@H](C)C#N)n1 1058865250 IIFZWMUZEMYSEN-LLVKDONJSA-N 307.354 -0.712 30 20 DBED N#Cc1ccc(N2CCC[C@@H]2CNC(=O)[C@H]2CCC(=O)N2)nn1 1061327268 GBAFGZRDNBKCAK-VXGBXAGGSA-N 314.349 -0.288 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCOC[C@@H]1CNC(=O)c1ccon1 1061350096 MUBWFOBMYNSDDD-RYUDHWBXSA-N 321.333 -0.330 30 20 DBED N#Cc1ccc(N2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CCNC2=O)nc1 1062556232 WTJYOMKZQUKZRB-RWMBFGLXSA-N 311.345 -0.121 30 20 DBED C[C@@H]1CN(C(=O)CC(N)=O)CC[C@@H]1Nc1cncc(C#N)n1 1063716349 PAQXHLVOFXTKOH-KOLCDFICSA-N 302.338 -0.127 30 20 DBED C=C(C)CCC(=O)N1CCO[C@@H](CNC(=O)Cn2cnnn2)C1 1065220598 QRVXQLCPTVVQIC-LBPRGKRZSA-N 322.369 -0.627 30 20 DBED C[C@@]1(NC(=O)[C@@H]2CCNC2=O)CCN(c2nccnc2C#N)C1 1065312119 FGVPMWCWYYMPEB-MEBBXXQBSA-N 314.349 -0.431 30 20 DBED C=CCCCC(=O)N1CCO[C@H](CNC(=O)[C@@H]2CCNC2=O)C1 1065545171 JBWWHQSZMWCBOU-CHWSQXEVSA-N 323.393 -0.178 30 20 DBED C[C@H]1CN(C(=O)Cn2cccn2)C[C@H]1N=c1cc[nH]c(C#N)n1 1067045879 ZJHNBOFRJBWMNR-NWDGAFQWSA-N 311.349 -0.074 30 20 DBED C#CCCCC(=O)N[C@@H]1COC2(C1)CN(C(=O)CC(N)=O)C2 1068837026 RJWFJEIMPWGGHF-NSHDSACASA-N 307.350 -0.849 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)c2ncc[nH]2)CCOCC1 1070232574 MIIPNAHYZZUOIX-SNVBAGLBSA-N 305.338 -0.035 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCC[C@@H](NC(=O)c2ncn(C)n2)C1 1070667561 JXWALPCIVRWGMB-IAQYHMDHSA-N 321.381 -0.137 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CCCN(C(=O)CCCC(N)=O)C1 1070935818 BHBNUIFDQCFXGE-QWHCGFSZSA-N 323.393 -0.213 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)c2snnc2C)CC1 1070936993 FHXIGFKSAMOVPQ-UHFFFAOYSA-N 321.406 -0.256 30 20 DBED Cc1nnc(CC(=O)N2CCC(=O)NCCN(CC#N)CC2)o1 1070961544 UBYXAIALIBGJLF-UHFFFAOYSA-N 320.353 -0.905 30 20 DBED C#CCCN1CCNC(=O)CCN(C(=O)Cc2cnoc2)CC1 1070991266 KPQQBNUWHWWABX-UHFFFAOYSA-N 318.377 -0.109 30 20 DBED N#CCN[C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2COC(=O)N2)CC1 1071053404 RUMYHTSBGGTOFW-UPJWGTAASA-N 322.365 -0.396 30 20 DBED CC#CCCCC(=O)N1CCC[C@@H](NC(=O)Cn2ncnn2)C1 1071123334 UDBYRUCZDNVSIO-CYBMUJFWSA-N 318.381 -0.026 30 20 DBED C[C@H]1CN(C(=O)CN2CCCC2=O)C[C@]2(CCN(CC#N)C2)O1 1071133858 HUEWHLWUUNCETP-XJKSGUPXSA-N 320.393 -0.176 30 20 DBED C=CCC1(C(=O)N[C@@H]2CCCN(C(=O)C(N)=O)C2)CCOCC1 1071221358 XHDICXVNHFFQLJ-GFCCVEGCSA-N 323.393 -0.048 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CCN(C(=O)CCNC(N)=O)CC1(C)C 1073486501 CSGBVKUOVKWGQP-GHMZBOCLSA-N 323.397 -0.052 30 20 DBED C[C@H]1CN(C(=O)CC(N)=O)CC[C@H]1NC(=O)CSCC#N 1073744758 PZUOQOQDIQMHGI-VHSXEESVSA-N 312.395 -0.528 30 20 DBED CC#CCN1CCO[C@H]2CCN(C(=O)C3CN(C(C)=O)C3)C[C@@H]21 1074226384 OQFHVZKYSSBWAR-HOTGVXAUSA-N 319.405 -0.210 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)c1cnns1 1076217975 QIZKDQKWHVCUTR-VIFPVBQESA-N 323.378 -0.698 30 20 DBED C[C@H]1CCn2cc(C(=O)N[C@@H]3CN(CC#N)C[C@H]3O)nc2C1 1077223522 GXXFVAPGSLISFA-DMDPSCGWSA-N 303.366 -0.236 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCc3nn[nH]c32)C1 1077584846 GYMTVEHAWZWOBL-RAIGVLPGSA-N 303.366 -0.591 30 20 DBED C[C@@H](CCNC(=O)[C@H](C)C#N)NC(=O)CCc1cnn(C)n1 1078138160 SIMWNEYIILYJDU-MNOVXSKESA-N 306.370 -0.082 30 20 DBED C=CCCC(=O)N1C[C@H](CNC(=O)c2ccc(O)nn2)[C@@H](O)C1 1081218525 VDONPYSLVKSQPX-JQWIXIFHSA-N 320.349 -0.303 30 20 DBED CC1(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)CSCC#N)C2)CC1 1081290259 VGIREIBFDSVDDU-WDEREUQCSA-N 311.407 -0.021 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cnnn2CC)C1 1081460078 BWXOPTDUGDVUEO-YPMHNXCESA-N 321.381 -0.187 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(C(=O)Cc2cc[nH]n2)C[C@H]1O 1081472477 YQAJUOBCGLDTBM-GXTWGEPZSA-N 316.361 -0.699 30 20 DBED CC(C)(C)C#CC(=O)N1C[C@H](O)[C@H](CNC(=O)c2nc[nH]n2)C1 1081652948 HWEHVPUVKCBZBR-MNOVXSKESA-N 319.365 -0.597 30 20 DBED C#CCCN1C[C@@H](NC(=O)c2cn(C)ccc2=O)[C@H](OC)C1 1081928571 WLBVNHPWZLAUJC-UKRRQHHQSA-N 303.362 -0.162 30 20 DBED C[C@@H](C(N)=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cc(C#N)c[nH]1 1083039524 ICASRQNHIAEVGT-TVYUQYBPSA-N 317.349 -0.715 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CN1CCOCC1 1083055101 WPBNRXVUKNFZRJ-LSDHHAIUSA-N 307.394 -0.747 30 20 DBED C#Cc1ccc(C(=O)N2CCO[C@@H]3CN(CCO)C[C@@H]32)nc1 1083252323 HSISPSRVRWGELL-LSDHHAIUSA-N 301.346 -0.420 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCc3nncn3CC2)C1 1083652805 HKFGKGVNOUKEFF-MCIONIFRSA-N 317.393 -0.585 30 20 DBED C#Cc1ccccc1CC(=O)N[C@@H]1CN(C[C@@H](C)O)C[C@@H]1O 1083999555 WUORFORRYVHWMK-WQVCFCJDSA-N 302.374 -0.248 30 20 DBED C=CCN[C@@H]1CN(C(=O)[C@@H]2COCCO2)C[C@H]1c1cnn(C)c1 1086968867 QCMWRIMJPAQWGW-ZNMIVQPWSA-N 320.393 -0.095 30 20 DBED C=C(C)CN1CC[C@@H]2CN(C(=O)CN3CC(=O)NC3=O)C[C@@H]2C1 1088142365 HGOSWYPOKYYMTC-OLZOCXBDSA-N 320.393 -0.105 30 20 DBED C#CCN[C@H]1CCCCCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 1088428562 WMGNBBRHWYVQBN-STQMWFEESA-N 313.423 -0.328 30 20 DBED C[C@H]1CC[C@@H](NC(=O)CC(N)=O)CN1c1nccnc1C#N 1089128194 VIVHIWDNDVBTPA-VHSXEESVSA-N 302.338 -0.303 30 20 DBED Cn1ncc(C2CC2)c1C(=O)N[C@@H]1CCN(CC#N)C[C@@H]1O 1090315490 JQPULTLLFITOKO-OLZOCXBDSA-N 303.366 -0.014 30 20 DBED Cn1cnc2cncc(C(=O)N[C@@H]3CCN(CC#N)C[C@@H]3O)c21 1090334180 OVANOUWLXPLDAE-YPMHNXCESA-N 314.349 -0.343 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2cc3ncccn3n2)[C@@H](O)C1 1090660012 NGQROZLIMLHPET-PWSUYJOCSA-N 300.322 -0.582 30 20 DBED C=CCCN1CC[C@H](NC(=O)CN2C(=O)CCC2=O)[C@@H](O)C1 1090793573 FXTKCDMSZWFFPP-RYUDHWBXSA-N 309.366 -0.737 30 20 DBED CC(=O)NCC(=O)N1C[C@@H](Nc2ccc(C#N)nn2)[C@H](C)C1 1090951816 ROGYYQSCKORYGY-BXKDBHETSA-N 302.338 -0.257 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@@H]1O 1091081695 FSIMJLCPZJSGJN-OCCSQVGLSA-N 302.334 -0.178 30 20 DBED Cc1ccc(C#N)c(N(C)CCOCCN(C)C(=O)C(N)=O)n1 1091901288 QBWKQFICCAIEEI-UHFFFAOYSA-N 319.365 -0.342 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CCN(c2ccc(C#N)cn2)C[C@@H]1O 1092149341 XNMQETKJUUNGRZ-NEPJUHHUSA-N 317.349 -0.855 30 20 DBED N#Cc1ccc(N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)CNC(N)=O)nc1 1092800938 WLPIHLAAIBCSKB-WOPDTQHZSA-N 314.349 -0.153 30 20 DBED CN(C)CCOCC(=O)N1CCN(c2cncc(C#N)n2)CC1 1093166420 RPSCJQOVOMYRGB-UHFFFAOYSA-N 318.381 -0.425 30 20 DBED N#Cc1cnccc1N1C[C@H]2C(NC(=O)CNC(N)=O)[C@@H]2C1 1093210920 QKMPEVKAXIJDSF-NXEZZACHSA-N 300.322 -0.828 30 20 DBED CC(=O)NCC(=O)NC1[C@H]2CN(c3cnc(C#N)cn3)C[C@H]12 1093216130 WJKWZVVXSDOHIU-QWRGUYRKSA-N 300.322 -0.965 30 20 DBED Cn1nnc2c(NCCNC(=O)CSCC#N)ncnc21 1093526717 VRIZXGPHIACCAA-UHFFFAOYSA-N 306.355 -0.457 30 20 DBED CNS(=O)(=O)CC(=O)NCCNc1ncc(C#N)cc1F 1093661507 ZLUXQILFILAURB-UHFFFAOYSA-N 315.330 -0.830 30 20 DBED CN(C)Cc1cc(C(=O)NCCN=c2cc[nH]c(C#N)n2)no1 1093968643 GKMTWCFOHSFSLV-UHFFFAOYSA-N 315.337 -0.338 30 20 DBED N#Cc1c[nH]ccc1=NCCNC(=O)c1ccoc1CC(N)=O 1094069481 UFBRLFGJHBVFPE-UHFFFAOYSA-N 313.317 -0.162 30 20 DBED N#CCN1CC(n2cc(CNC(=O)C3=COCCC3)nn2)C1 1094279446 LWPDVZUWVVNJKR-UHFFFAOYSA-N 302.338 -0.031 30 20 DBED N#CCN1CC(N2C[C@@H](NC(=O)C[C@H]3CCOC3)CC2=O)C1 1094716102 VTPXJOYNQRARCI-NEPJUHHUSA-N 306.366 -0.662 30 20 DBED N#CCN1CC(N2C[C@@H](NC(=O)[C@@H]3CCCCO3)CC2=O)C1 1094726913 DMUUDMLNJZGJTD-AAEUAGOBSA-N 306.366 -0.520 30 20 DBED COC(=O)NCC(=O)NC1CCN(c2cncc(C#N)n2)CC1 1095394567 QPEIYXWCYOXSGG-UHFFFAOYSA-N 318.337 -0.211 30 20 DBED CC(=O)NCC(=O)NCCCN(c1cncc(C#N)n1)C1CC1 1096004050 BICCIIIJCCPOTE-UHFFFAOYSA-N 316.365 -0.041 30 20 DBED COCCO[C@@H](C)C(=O)N1CC[C@H](N=c2cc[nH]c(C#N)n2)C1 1096957133 FDKKMCVYFVENIF-RYUDHWBXSA-N 319.365 -0.166 30 20 DBED CN(C)CCOCC(=O)N[C@H]1C[C@@H](Nc2cncc(C#N)n2)C1 1097198362 HZZFKXWYGHUUTR-TXEJJXNPSA-N 318.381 -0.014 30 20 DBED C[C@@H](CNC(=O)[C@@]1(C)CNC(=O)C1)Nc1cnc(C#N)cn1 1098153762 XUEHKQUWAJJFOW-LKFCYVNXSA-N 302.338 -0.209 30 20 DBED C[C@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)Nc1ccc(C#N)cn1 1098305206 SJFXXONGTWQFIT-SCZZXKLOSA-N 316.321 -0.532 30 20 DBED C#CCNCc1cn([C@H]2CCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C2)nn1 1098702903 FCRHAELKMNJPQJ-BYNSBNAKSA-N 315.377 -0.333 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)/C=C(/C)CC)[C@@H](O)C1 1099817660 CWIGWUOLOIPNOV-BHBDMTODSA-N 307.394 -0.357 30 20 DBED C=CCN1CC[C@@H](NC(=O)CS(=O)(=O)C(C)C)[C@@H](O)C1 1100114733 SMBNGYAMUBSIBT-NEPJUHHUSA-N 304.412 -0.453 30 20 DBED N#CCNC(=O)CNC1CC(CNC(=O)[C@@H]2CCCCO2)C1 1100247863 RKSQBGAWCSMMOB-BPCQOVAHSA-N 308.382 -0.320 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1CC(NCc2nnn(C)n2)C1 1100322972 ZRCASUDABIKFOG-UNXYVOJBSA-N 306.370 -0.767 30 20 DBED COCC(=O)NCCC(=O)NCCN(C)c1cnc(C#N)cn1 1100374986 MMVWDVINLOWEPB-UHFFFAOYSA-N 320.353 -0.947 30 20 DBED CCN(CCNC(=O)[C@H]1C[C@H]1C(N)=O)c1ccc(C#N)nn1 1100719829 SOCYEKZDURGJRU-MNOVXSKESA-N 302.338 -0.588 30 20 DBED CC(=O)N[C@@H](C)C(=O)NC[C@H]1CCCN1c1cncc(C#N)n1 1100776818 RSBDZFDTWYLMAB-GXFFZTMASA-N 316.365 -0.042 30 20 DBED N#Cc1cncc(N(CCNC(=O)[C@@H]2CCC(=O)N2)C2CC2)n1 1101368307 MZBTYZVBMSOUKI-LBPRGKRZSA-N 314.349 -0.288 30 20 DBED N#Cc1cncc(N(CCNC(=O)[C@@H]2CNC(=O)N2)C2CC2)n1 1101432701 IMLHRNIUHKXQKY-NSHDSACASA-N 315.337 -0.885 30 20 DBED CN(CCNc1cncc(C#N)n1)C(=O)c1cn(C)c(O)n1 1101940017 ODGJTEFFQFFYDB-UHFFFAOYSA-N 301.310 -0.029 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)CCn1cncn1 1103887397 WRJRTHYCXFAERM-NSHDSACASA-N 314.353 -0.384 30 20 DBED C[C@H](CNC(=O)[C@H]1CCC(=O)N1)CNc1cncc(C#N)n1 1103901488 DJMRNGNSDWZNIA-GXSJLCMTSA-N 302.338 -0.209 30 20 DBED C=C[C@@H](CC)CC(=O)N1CC(n2cc(CNCC(N)=O)nn2)C1 1105310156 QWCXYVSAUIFLQK-NSHDSACASA-N 320.397 -0.161 30 20 DBED C#CCNCc1cn(C2CN(C(=O)[C@H]3CCC(=O)N3C)C2)nn1 1105312621 VCCBKRHLWFGMBM-CYBMUJFWSA-N 316.365 -0.995 30 20 DBED Cc1cnc(C(=O)NC[C@@H](O)CNc2cncc(C#N)n2)cn1 1105709064 IAKVXMKQKMMHKG-NSHDSACASA-N 313.321 -0.351 30 20 DBED CNC(=O)C1(C(=O)NC[C@H](O)CNc2ccc(C#N)cn2)CC1 1105895238 GAAVKLFMSGDWDV-LLVKDONJSA-N 317.349 -0.632 30 20 DBED N#Cc1c(F)cccc1NC[C@H](O)CNC(=O)Cc1nc[nH]n1 1105957855 OMVIWUGLRXCDGP-VIFPVBQESA-N 318.312 -0.053 30 20 DBED N#Cc1cnc(NC[C@H](O)CNC(=O)c2cncnc2O)cn1 1106007909 XCYFEBBKFFJRDZ-VIFPVBQESA-N 315.293 -0.953 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCO[C@](C)(CNC(=O)C(F)F)C1 1107673862 XAWGCNRWELLUJG-QMTHXVAHSA-N 317.336 -0.404 30 20 DBED C[C@]1(CNC(=O)C#CC2CC2)CN([C@@H]2CCNC2=O)CCO1 1107933019 WUIWMIUWRLGCGV-CJNGLKHVSA-N 305.378 -0.505 30 20 DBED C#CCCN1CCO[C@](C)(CNC(=O)CCS(C)(=O)=O)C1 1108026711 BQAMSCANKATZLQ-CQSZACIVSA-N 316.423 -0.349 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](C)NC(=O)[C@@H]2CN(C)C(=O)N2)n1 1108041136 DOKBWNHBWSGMPX-KOLCDFICSA-N 317.353 -0.403 30 20 DBED C#CCNC(=O)CN1CCO[C@](C)(CNC(=O)[C@H]2C[C@@H]2C)C1 1108134567 OTBOAKDNRGWELM-HEHGZKQESA-N 307.394 -0.401 30 20 DBED COC[C@H](C)CC(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1 1108583766 RTXFYEIFVBEFNA-VXGBXAGGSA-N 308.382 -0.416 30 20 DBED N#Cc1cncc(NC[C@@H](NC(=O)Cn2cnnn2)C2CC2)n1 1109775628 OUTXMDVNAZYDOW-LLVKDONJSA-N 313.325 -0.658 30 20 DBED N#Cc1cncc(NC2(CNC(=O)[C@@H]3CCNC(=O)C3)CC2)n1 1110099980 OEVISFPGHUIKBF-SNVBAGLBSA-N 314.349 -0.065 30 20 DBED CO[C@H](C)CC(=O)NC[C@@]1(O)CCN(c2ccc(C#N)nn2)C1 1111045021 ALGTYMBRDVKPDQ-ABAIWWIYSA-N 319.365 -0.169 30 20 DBED C#CCOCCC(=O)NC[C@]1(O)CCN(c2nc(C)ns2)C1 1111098978 XYDHTHLFMZJQLI-CQSZACIVSA-N 324.406 -0.056 30 20 DBED Cn1cncc1C(=O)N(CCO)CCNc1nccnc1C#N 1111525759 OXSXCRSVNQVQQK-UHFFFAOYSA-N 315.337 -0.372 30 20 DBED Cc1cc(N2CCOC[C@@H]2CNC(=O)C(N)=O)c(C#N)cn1 1111715048 BMJUBQXEGGFPRK-NSHDSACASA-N 303.322 -0.932 30 20 DBED CN(CCCN(C)c1cnc(C#N)cn1)C(=O)[C@H]1CNC(=O)N1 1112168536 SVOHWUPEEQEYKV-LLVKDONJSA-N 317.353 -0.686 30 20 DBED N#CCSCC(=O)N1CCN(CCN2CCNC2=O)CC1 1112629840 BXVYTNRRULGPBQ-UHFFFAOYSA-N 311.411 -0.587 30 20 DBED COCCC(=O)NC[C@@H]1CN(c2ncccc2C#N)C[C@H]1O 1112688058 ADGKCCDDOZIYSL-CHWSQXEVSA-N 304.350 -0.097 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCN([C@H]2CCC(=O)NC2=O)CC1 1112813856 CFYZOOYPZVJBLZ-XHDPSFHLSA-N 309.366 -0.737 30 20 DBED C[C@@H](CNC(=O)C(=O)NCC1CC1)N(C)c1cnc(C#N)cn1 1113691787 HGLQXSAWOUOINV-JTQLQIEISA-N 316.365 -0.185 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCC(=O)N1C)N(C)c1cncc(C#N)n1 1113830249 MKLIQXLFNNNUFQ-CMPLNLGQSA-N 316.365 -0.090 30 20 DBED COC[C@@H](OC)C(=O)NC[C@H](C)N(C)c1ccc(C#N)nn1 1113858357 VAJMUEDUJKLSPE-CMPLNLGQSA-N 307.354 -0.049 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)c3cc(CC)[nH]n3)[C@H]2C1 1113896480 CEJFLCUXUMMWQX-RYUDHWBXSA-N 317.393 -0.066 30 20 DBED N#CCNC(=O)CN1C[C@H]2C(NC(=O)C[C@H]3CCOC3)[C@@H]2C1 1114089037 ZDCDDGXAXJTZIY-IJLUTSLNSA-N 306.366 -0.901 30 20 DBED Cc1ccncc1C(=O)NC1[C@H]2CN(CC(=O)NCC#N)C[C@H]12 1114090843 KXBUNUYNXBHQIN-STQMWFEESA-N 313.361 -0.310 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)CC(C)(C)O)[C@H]2C1 1114211982 FBMGWTZFXXRQRD-CIQGVGRVSA-N 307.394 -0.668 30 20 DBED N#CCN1C[C@H]2C(NC(=O)COCc3ccnc(O)c3)[C@@H]2C1 1114465397 GAFZPHSAOKCTDB-VXGBXAGGSA-N 302.334 -0.126 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)[C@@H]3[C@H]4COC[C@H]43)[C@@H]2C1 1114714568 VGICMSJYTDIHMH-GMDXDWKASA-N 317.389 -0.937 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)c3cncc(OC)n3)[C@@H]2C1 1114932099 FWTGEENMOGKMAE-VXGBXAGGSA-N 316.361 -0.205 30 20 DBED C#C[C@H](C)NC(=O)C(=O)Nc1ccc(CNS(C)(=O)=O)cc1 1116729998 SXLDMXMVACHQKI-JTQLQIEISA-N 323.374 -0.188 30 20 DBED C[C@@H](CN(C)C(=O)[C@H]1C[C@H]1C(N)=O)Nc1ccc(C#N)nn1 1120705924 JGTFMBAMZVZYKS-GDPRMGEGSA-N 302.338 -0.272 30 20 DBED Cc1cc(C(=O)NC[C@@H](CO)Nc2cncc(C#N)n2)no1 1121010045 JCSOHGGJOHGHPD-JTQLQIEISA-N 302.294 -0.153 30 20 DBED CC(=O)N[C@H](C)C(=O)NC[C@H](CO)Nc1ncccc1C#N 1121011634 YOEUEJPBUOGIEP-BXKDBHETSA-N 305.338 -0.633 30 20 DBED C#CCN1CCC[C@H]1c1nnc(N2CCO[C@@H](C(N)=O)C2)n1C 1121313391 WTWJPUPMFKMGQC-NWDGAFQWSA-N 318.381 -0.724 30 20 DBED Cc1ccc(C(=O)NC[C@H](CO)Nc2cnc(C#N)cn2)nn1 1121446729 PEIBZXGCIFHPTD-LLVKDONJSA-N 313.321 -0.351 30 20 DBED CN1CCC(C(=O)NC[C@@H](CO)Nc2nccnc2C#N)CC1 1121719018 VXVSWTMQZJTGBI-LBPRGKRZSA-N 318.381 -0.421 30 20 DBED C#Cc1ccc(C(=O)NC[C@H](CO)Nc2nccnc2C#N)nc1 1121847796 ROFPXMHMGRMBAV-GFCCVEGCSA-N 322.328 -0.073 30 20 DBED CN(C)[C@H](C(=O)NC[C@H](CO)Nc1ccc(C#N)nn1)C1CC1 1122152619 IIRFQSWVVSIRPU-OCCSQVGLSA-N 318.381 -0.423 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)C2(C(N)=O)CC2)cn1 1122451032 DPQAJEZJFUIEFD-NSHDSACASA-N 303.322 -0.892 30 20 DBED N#Cc1sc(N[C@H](CO)CNC(=O)C(N)=O)nc1Cl 1122451217 GJFCGPNHYREMRU-BYPYZUCNSA-N 303.731 -0.958 30 20 DBED C=CCN(C)c1nnc(-c2cn(CCO)nn2)n1CCOC 1122455117 QEVVRPRXLPIWFK-UHFFFAOYSA-N 307.358 -0.203 30 20 DBED CS(=O)(=O)CC(=O)NCCNCc1ccc(C#N)c(F)c1 1124363118 YNEYVCXIIARJPN-UHFFFAOYSA-N 313.354 -0.052 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C[C@@H](O)CNc1nccnc1F 1124520389 SDFNSWGYNYPGQV-QWRGUYRKSA-N 310.329 -0.115 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)CCc2nc[nH]n2)C1=O 1125409217 LNOXYDUZAUXPCO-NSHDSACASA-N 306.370 -0.770 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCNCC(=O)N(CC)CCC#N 1126359782 BQWLZHGBBLSRFU-OAHLLOKOSA-N 310.398 -0.219 30 20 DBED C#CCO[C@@H](C)C(=O)NCCNCC(=O)NCc1cccnc1 1127039032 AWJUMJFVTUZCQC-ZDUSSCGKSA-N 318.377 -0.558 30 20 DBED C#CCO[C@H](C)C(=O)NCCNCC(=O)N(C)c1nccs1 1127051569 JFWBRXXPFDWYMX-LLVKDONJSA-N 324.406 -0.150 30 20 DBED COC[C@@H](C)C(=O)N(C)CCOCCN=c1cc[nH]c(C#N)n1 1127217906 QZKKYJWESKVDSM-GFCCVEGCSA-N 321.381 -0.060 30 20 DBED C=CCOCCNCCNC(=O)[C@H](C)NS(=O)(=O)CC 1127860492 OKEDGSYRVYMBNS-NSHDSACASA-N 307.416 -0.777 30 20 DBED C[C@H](NC(=O)C1CCCC1)C(=O)NCCNCC(=O)NCC#N 1127972654 AZRMDTADZLICFC-NSHDSACASA-N 323.397 -0.973 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)C2CC2)C[C@@H]1n1ccnn1 1129511031 GZOFOCFHZILUKA-KGLIPLIRSA-N 303.366 -0.321 30 20 DBED C#CCNC(=O)CNCCNC(=O)Cc1cn2ccccc2n1 1130343335 IHKCYMLHZNVTPC-UHFFFAOYSA-N 313.361 -0.668 30 20 DBED C=CCOCC(=O)N1C[C@@H]2C[C@@H]3CN(CC(=O)NC)C[C@]2(C1)O3 1131214219 QHDIFJGMNMPMFO-WOSRLPQWSA-N 323.393 -0.763 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)CN(C)C(C)C)CC1 1131396856 HYLLLCRWNVQUQP-UHFFFAOYSA-N 308.426 -0.390 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)CCc1nccn1C 1131656425 OLGSLOHMFVMOHL-LBPRGKRZSA-N 307.398 -0.251 30 20 DBED C[C@H]1CC[C@H](NC(=O)c2ccnn2C)CN1CC(=O)NCC#N 1131862196 SEJHMUMESVRLSR-RYUDHWBXSA-N 318.381 -0.357 30 20 DBED C[C@H]1CC[C@@H](NC(=O)CCn2ncn(C)c2=O)CN1CC#N 1132198789 BLZDPTAAPKIOQL-NWDGAFQWSA-N 306.370 -0.535 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1c[nH]nc1[C@@H]1CCCO1 1132775231 SOMGWWHETOOUOU-LBPRGKRZSA-N 319.365 -0.670 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)Cc1ncccc1OC 1132913171 GWJKYXAIPLKXMZ-GFCCVEGCSA-N 318.377 -0.524 30 20 DBED C#CCCN[C@H](C)C[C@@H](C)NC(=O)Cn1ccc(=O)n(C)c1=O 1134541753 WNEXOBWTYSAGIW-CHWSQXEVSA-N 320.393 -0.557 30 20 DBED C=CCCN[C@@H](C)C[C@H](C)NC(=O)CNC(=O)Cn1cncn1 1146563629 XKDUXOBLRUSVEH-STQMWFEESA-N 322.413 -0.157 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)C[C@](C)(O)C=C)C2 1147422767 YUQOCKAAYHMMMA-MRXNPFEDSA-N 319.405 -0.403 30 20 DBED N#CCNC(=O)CN1CCCO[C@H](CNC(=O)[C@@H]2CCCO2)C1 1149089655 CEHLGHXHCQKCDY-OLZOCXBDSA-N 324.381 -0.988 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)C[C@@H]2CCCC(=O)N2)C1 1149960127 NGYFPKLZXKRVTG-UONOGXRCSA-N 307.394 -0.115 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)NCCCNC(=O)[C@H](C)OC 1155260278 QIOAQZVCLNPDTA-QWRGUYRKSA-N 314.386 -0.483 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)[C@@H]1CCNC(=O)C1 1156522852 DZIFAUWHQLMSEZ-VXGBXAGGSA-N 310.398 -0.701 30 20 DBED C=CCNC(=O)NC(=O)CNCCCNC(=O)c1cncnc1 1156981990 WEHJBJBBHPFSFH-UHFFFAOYSA-N 320.353 -0.802 30 20 DBED C#CCNC(=O)CC(=O)NCCC1=CCN(CCOC)CC1 1159891385 MVXMNQKPIGMMRA-UHFFFAOYSA-N 307.394 -0.089 30 20 DBED N#CCNC(=O)CNCC1(CCNC(=O)CSCC#N)CC1 1163482699 MQQWTRSDCQHDAH-UHFFFAOYSA-N 323.422 -0.241 30 20 DBED C=CCNCC1(CCNC(=O)CNS(=O)(=O)N(C)C)CC1 1167351901 RPBLLAASVYWLCF-UHFFFAOYSA-N 318.443 -0.556 30 20 DBED N#CCNC(=O)CNCCCNC(=O)[C@@H]1CCC[C@@H]2CCCN12 1168023040 SUODBFACIOXZBK-KGLIPLIRSA-N 321.425 -0.261 30 20 DBED COCC#CCNCCCNC(=O)Cc1c(C)nc(O)nc1O 1169082109 MIUNZZANOANMSM-UHFFFAOYSA-N 322.365 -0.516 30 20 DBED C#Cc1ccc(C(=O)NCCCNCc2nc(O)n[nH]2)nc1 1171585464 VOLIKSKUQCHVTE-UHFFFAOYSA-N 300.322 -0.204 30 20 DBED C=CCCNCCCC[C@H](C)NC(=O)CNS(=O)(=O)NC 1171924095 LTNGDJOTJALYEM-LBPRGKRZSA-N 320.459 -0.119 30 20 DBED C#CCNC(=O)CN1CCO[C@@H]2CCN(C(=O)C3CCC3)C[C@@H]21 1176875906 KBYRUIFIWLJZIB-LSDHHAIUSA-N 319.405 -0.162 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)Cn2cccn2)[C@H]1C 1178113395 CSZPEKMRHCGISW-IHRRRGAJSA-N 317.393 -0.400 30 20 DBED CN1CCN(CC(=O)NCCCCCCNCC#N)CC1=O 1178886999 BJKHIMBQYPDUJP-UHFFFAOYSA-N 309.414 -0.450 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)c2[nH]nnc2C)[C@H]1C 1179284814 BRXJTNNRQJYZBI-SRVKXCTJSA-N 318.381 -0.556 30 20 DBED C#CCN[C@H]1CCN(C(=O)CCC(=O)N2CCOCC2)[C@H]1C 1180075419 MLNMQGFHZNIUGZ-KBPBESRZSA-N 307.394 -0.162 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)CCCC(N)=O)[C@H]1C 1180295324 KUDLPSGPPYULMG-AVGNSLFASA-N 322.409 -0.641 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)Cc2cncn2C)C1 1187092602 YERWFDJOUPNLOG-QWHCGFSZSA-N 319.409 -0.156 30 20 DBED N#CCNC(=O)CN[C@@H]1CCN(C(=O)C[C@@H]2CCCOC2)C1 1187879621 MNESLMHZGPDESV-QWHCGFSZSA-N 308.382 -0.367 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)CNC(=O)[C@@H](C)CC)C1 1187921472 JHAXMLWRXDWNKW-QWHCGFSZSA-N 324.425 -0.359 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2cnns2)C1 1189059306 NZVBVYKIOABAFG-JTQLQIEISA-N 309.395 -0.013 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@@H]1CCN(C(=O)c2cncn2C)C1 1191177955 NSARETHZKUXORV-QWHCGFSZSA-N 317.393 -0.296 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2nocc2C)C[C@H]1O 1192878808 MGASKRFKZCOVLC-ZIAGYGMSSA-N 307.350 -0.316 30 20 DBED C#CCC1(C(=O)N[C@@H]2CN(CC(=O)NCC=C)C[C@H]2O)CCC1 1193686081 UYVWMCNOHUETKU-ZIAGYGMSSA-N 319.405 -0.357 30 20 DBED C=CCC[C@H](C)N1C[C@@H](O)[C@H](NC(=O)CN2CCCNC2=O)C1 1194391381 OWAQREJZWFURFN-BFHYXJOUSA-N 324.425 -0.082 30 20 DBED CC(C)CC(=O)N1CCCO[C@@H](CNCC(=O)NCC#N)C1 1199724481 GVEPWIDMYJMBLS-ZDUSSCGKSA-N 310.398 -0.121 30 20 DBED C[C@H](C(=O)N1CCC(NCC(=O)NCC#N)CC1)n1cncn1 1200118762 TUMXKJSUMFBPLK-LLVKDONJSA-N 319.369 -0.941 30 20 DBED C#CCNC(=O)CC(=O)N1CCCO[C@@H](CNCCC=C)C1 1200329169 GVDCTRLRELGGKH-AWEZNQCLSA-N 307.394 -0.091 30 20 DBED C=CCCNC[C@H]1CN(C(=O)c2nnc(O)nc2O)CCCO1 1200895333 UTRHDJNNYQZOFU-JTQLQIEISA-N 323.353 -0.320 30 20 DBED C=CCNC[C@@H]1CN(C(=O)[C@H](C)NS(C)(=O)=O)CCCO1 1201507441 VUAAOSRUXAVHHV-NWDGAFQWSA-N 319.427 -0.683 30 20 DBED Cc1ccnn1CC(=O)N1CCC(NCC(=O)NCC#N)CC1 1202699279 JPAFGAWAJZLUNA-UHFFFAOYSA-N 318.381 -0.588 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)CC2(COC)CC2)[C@H](C)C1 1206953982 OGTIMFIZKZNNDU-ZIAGYGMSSA-N 321.421 -0.011 30 20 DBED C=CCCN1C[C@@H](NC(=O)CNC(=O)CNC(C)=O)[C@H](C)C1 1207733854 KLKGOAIHXRGXSH-DGCLKSJQSA-N 310.398 -0.749 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)Cc2ccnn2C)C1 1207913887 GCEMUVZMTOYRBE-ZDUSSCGKSA-N 317.393 -0.707 30 20 DBED N#CCNC(=O)CN[C@H]1CCCN(C(=O)Cc2cnc[nH]2)C1 1209836574 LLMJDTMJEOWESB-NSHDSACASA-N 304.354 -0.827 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)Cc2cncn2C)C1 1210668064 KTYFEBQPDIHKFG-ZDUSSCGKSA-N 317.393 -0.707 30 20 DBED C#CCCN1C[C@@H](NC(=O)C2(C(=O)N(C)C)CC2)[C@H](OC)C1 1213707294 XMYABGSIEGRVCP-CHWSQXEVSA-N 307.394 -0.307 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)CCn2ccnn2)C[C@H]1C 1214512613 ZOBNLUOFKLAIOH-ZIAGYGMSSA-N 305.382 -0.246 30 20 DBED C#CCCN[C@@H]1CN(C(=O)c2nccnc2C(N)=O)C[C@H]1C 1216716615 DLCXCYBODAHHQP-GHMZBOCLSA-N 301.350 -0.351 30 20 DBED C=CCCCC(=O)N1CCO[C@@H]2CN(CC(=O)NC(N)=O)C[C@@H]21 1218565981 DYNIBIJGQDUUHN-NWDGAFQWSA-N 324.381 -0.551 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(CCc2cnn(C)c2)C[C@@H]1O 1219364134 ZBCFCGHGSDFRNX-KGLIPLIRSA-N 308.382 -0.674 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN([C@H](C)c2n[nH]c(C)n2)C[C@@H]1O 1219609169 FLMJRZBGTMDDDX-RTXFEEFZSA-N 321.381 -0.625 30 20 DBED C[C@@H](NC(=O)c1cccs1)C(=O)N[C@@H]1CN(CC#N)C[C@@H]1O 1220102191 NSYLTKHSRJAXOR-MXWKQRLJSA-N 322.390 -0.449 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@H](C)NC(=O)c2ccco2)C1 1221022940 URVUDXWDAQPOEN-XQQFMLRXSA-N 319.361 -0.418 30 20 DBED C=CCCCN1C[C@H](O)[C@H](NC(=O)c2cn(C)c(=O)n2C)C1 1221104049 GUDSAMNAVHHNQV-YPMHNXCESA-N 308.382 -0.535 30 20 DBED N#CCNC(=O)CN1CC[C@@H]2CN(C(=O)C[C@@H]3CCCO3)[C@@H]2C1 1221307249 LJYJWLZYESGBGP-HZSPNIEDSA-N 320.393 -0.272 30 20 DBED C=CCN[C@@H]1CCCC[C@H]1NC(=O)C[C@H](NC(C)=O)C(N)=O 1228967758 FCALPHVVZXMWTE-UPJWGTAASA-N 310.398 -0.431 30 20 DBED CO[C@H](C)CC(=O)NCC[C@H]1CN(CC#N)CCS1(=O)=O 1230437352 ZICHLWGBEVCBBI-NEPJUHHUSA-N 317.411 -0.460 30 20 DBED CN(C[C@H]1CCN1CC(=O)NCC#N)C(=O)CSCC#N 1230815159 LEEMUJPEBXNDTO-LLVKDONJSA-N 309.395 -0.584 30 20 DBED C[C@@H](O)CN(C(=O)C(=O)Nc1cccc(C#N)n1)[C@H](C)CO 1261460784 OTUZEYGKCFDVDQ-NXEZZACHSA-N 306.322 -0.518 30 20 DBED C#CCOc1ccccc1NC(=O)C(=O)NCC1(CO)COC1 1320391174 UNQZFGJHRNTVHX-UHFFFAOYSA-N 318.329 -0.238 30 20 DBED CN(C)C1(CNC(=O)C(=O)Nc2cnn(CC#N)c2)CCC1 1320560046 YECRBQHXBZWDBL-UHFFFAOYSA-N 304.354 -0.054 30 20 DBED CC1CCN(CCCNC(=O)C(=O)N2CCO[C@H](C#N)C2)CC1 1321429483 KQXVCEUZCYCKKR-CQSZACIVSA-N 322.409 -0.024 30 20 DBED C=CCSCCNC(=O)C(=O)N1CC[C@H](S(C)(=O)=O)C1 1322106939 HQWJQKOAPBSZGG-JTQLQIEISA-N 320.436 -0.333 30 20 DBED C#CCC[C@H](O)CNC(=O)[C@@H](C)S(=O)(=O)C1CCOCC1 1325139836 PTNJCBQPJRLBJZ-NEPJUHHUSA-N 317.407 -0.141 30 20 DBED Cc1cc(NC(=O)C(=O)N[C@@H](C)CS(C)(=O)=O)ncc1C#N 1326742971 CIPGORABXMUVRI-VIFPVBQESA-N 324.362 -0.251 30 20 DBED N#CC1CCN(C(=O)C(=O)N2CC[C@@H]3NC(=O)CC[C@@H]3C2)CC1 1329646846 DQHIHAMSQVUXFC-OLZOCXBDSA-N 318.377 -0.124 30 20 DBED C[C@H](O)C[C@H]1COCCN1C(=O)C(=O)N1CCC[C@H](C#N)C1 1334983592 MISXCQJZHWHJLH-XQQFMLRXSA-N 309.366 -0.253 30 20 DBED C=CCS(=O)(=O)CCNC(=O)NCCN1CCC(O)CC1 1335050873 JEUPADLZQXELCK-UHFFFAOYSA-N 319.427 -0.657 30 20 DBED C=CCSCCn1nnnc1N1CCO[C@@H](C(=O)NC)C1 1335652589 LHHRMVYMYUVUTA-SNVBAGLBSA-N 312.399 -0.457 30 20 DBED CC1(C)CCN(CCNC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)C1 1338111134 CYUFOTHXRYUUTM-INIZCTEOSA-N 322.409 -0.288 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CCC[C@@H](Cn2ccnn2)C1 1343070763 SGMUAXQHCRMRRL-CHWSQXEVSA-N 321.381 -0.166 30 20 DBED CC(C)(C)C(=O)NCCNC(=O)C(=O)N1CC[C@](O)(CC#N)C1 1345855397 KOVHQTIYCFRLKX-OAHLLOKOSA-N 324.381 -0.858 30 20 DBED CN(CCCCNC(=O)C(=O)N1CC[C@](O)(CC#N)C1)C1CC1 1349260861 XZTGWMLCBYYASM-MRXNPFEDSA-N 322.409 -0.146 30 20 DBED C#CCSCC(=O)N1CCN(c2cnc(O)nc2N)CC1 1354004564 CGQVDFNSKCNVGO-UHFFFAOYSA-N 307.379 -0.221 30 20 DBED C[C@@H](O)[C@H]1CCCN(C(=O)CCn2cc(C#N)c(O)nc2=O)C1 1362510157 MNBCZNFUZTZOPL-MNOVXSKESA-N 320.349 -0.170 30 20 DBED COCC1(NC(=O)Cn2cc(C#N)c(O)nc2=O)CCOCC1 1362607459 UKGRQFUFZPXUPQ-UHFFFAOYSA-N 322.321 -0.868 30 20 DBED N#Cc1cn(CCNC(=O)[C@@H]2[C@@H]3CCC(=O)[C@H]32)c(=O)nc1O 1363483718 PBVATLSIWULGCD-DVVUODLYSA-N 302.290 -0.838 30 20 DBED N#Cc1ccc(CNC(=O)CN2CCOC[C@@H]2CC(N)=O)cc1 1364436297 AQZMXXBZDVUYCR-AWEZNQCLSA-N 316.361 -0.249 30 20 DBED CNS(=O)(=O)CCC(=O)NC[C@H](C)N(C)C(=O)[C@@H](C)C#N 1369843671 LMDGRQIKTMJBDK-UWVGGRQHSA-N 318.399 -0.952 30 20 DBED C[C@H](C#N)C(=O)NC1CCN(C(=O)C2(NC(N)=O)CC2)CC1 1385429036 BLWOERPXXACPKE-SECBINFHSA-N 307.354 -0.546 30 20 DBED CC(=O)NCC(=O)N1C[C@H]2[C@H](NC(=O)c3cc(C#N)c[nH]3)[C@H]2C1 1386094782 KIDBSPHSEZWEAS-YABSGUDNSA-N 315.333 -0.791 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CCCN1C(=O)CCn1cncn1 1388332743 DHYQVEXVSBKCMD-VXGBXAGGSA-N 304.354 -0.065 30 20 DBED C[C@@H](C#N)C(=O)NC1CN([C@H](C)C(=O)NC(=O)NC2CC2)C1 1400326987 CDPNBWYNZIGBEJ-DTWKUNHWSA-N 307.354 -0.677 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CCN(C(=O)CNC(=O)C2CC2)C1 1407203092 OKTRJNDXSWOZPQ-PWSUYJOCSA-N 306.366 -0.268 30 20 DBED N#Cc1c[nH]c(C(=O)N2CCN(c3cnc(O)nc3N)CC2)c1 1412848446 RYQUGBXKSCWSGS-UHFFFAOYSA-N 313.321 -0.073 30 20 DBED CC[C@]1(CO)CCCN(C(=O)Cn2cc(C#N)c(O)nc2=O)C1 1412852384 YESRNDOPEOGQAY-HNNXBMFYSA-N 320.349 -0.168 30 20 DBED C[C@H](C#N)C(=O)N(C)C[C@@H]1CCCN(C(=O)Cn2cnnn2)C1 1414902393 VXJGEQQGMAJCAD-NEPJUHHUSA-N 319.369 -0.470 30 20 DBED COC[C@H](C)CNC(=O)NCCn1cc(C#N)c(O)nc1=O 1426919777 YXDROKJPHIARBJ-SECBINFHSA-N 309.326 -0.598 30 20 DBED N#Cc1cn(CCC(=O)N2C[C@H]3C[C@@]3(CO)C2)c(=O)nc1O 1433915964 NQFNTMMRKGTXTM-YGRLFVJLSA-N 304.306 -0.949 30 20 DBED CC(=O)N(C)CC(=O)N1CC[C@H]2CN(C(=O)[C@H](C)C#N)C[C@H]21 1445453453 RYWDOPORMKMHKL-KGYLQXTDSA-N 306.366 -0.316 30 20 DBED C[C@H](CNC(=O)c1c[nH]c(C#N)c1)NC(=O)[C@@H]1CCC(=O)N1 1447869795 RKHYXTHDCWNBGB-KCJUWKMLSA-N 303.322 -0.601 30 20 DBED CS(=O)(=O)c1cccc(Cn2c(=O)[nH]cc(C#N)c2=O)c1 1459137971 PJWXGWBOSYJWPJ-UHFFFAOYSA-N 305.315 -0.140 30 20 DBED CCCNC(=O)NC(=O)CN(CC)CCNC(=O)[C@@H](C)C#N 1480967666 KKLLYEURCPHHPV-NSHDSACASA-N 311.386 -0.180 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H](C)CCNC(=O)c1cnc(C)n1C 1503445960 SWNIIDFVAUPAAF-NWDGAFQWSA-N 319.409 -0.036 30 20 DBED C#CCO[C@H](C)C(=O)NC1CCN(C(=O)CNC(=O)O)CC1 1573310697 BIRRPMBVUQZNHS-SNVBAGLBSA-N 311.338 -0.601 30 20 DBED C=CCOCC(=O)NCCN=c1cc(C)[nH]cc1-c1nn[nH]n1 1573343261 LUKQCJTWSSNAEO-UHFFFAOYSA-N 317.353 -0.277 30 20 DBED C=CCN(CC=C)C(=O)CN1CC(NC(=O)[C@H]2C[C@H]2C(=O)O)C1 1573360367 MOTNMCNWVIQLOY-QWHCGFSZSA-N 321.377 -0.292 30 20 DBED Cn1cc(C#N)c(NC(=O)N[C@H]2CN(C(=O)O)C[C@H]2CO)n1 1574211182 CZWIBIJTBRHALU-IUCAKERBSA-N 308.298 -0.616 30 20 DBED C#CC[C@]1(C(=O)Nc2ncn(CC(=O)N(C)C)n2)CCCN1 1574524923 AJYRYOVIUNFTID-CQSZACIVSA-N 304.354 -0.550 30 20 DBED CCOC(=O)CON=C(C(=O)N(C)C[C@@H](C)N)c1cc[nH]n1 1577954078 BHKYTBMPINMUAQ-SECBINFHSA-N 311.342 -0.501 30 20 DBED COC[C@@H]1CNCCN1C(=O)CCN/C(O)=C1\N=CC=CC1=O 1578988812 ITYJBMOQKPDFTK-AKCBPTIMSA-N 322.365 -0.650 30 20 DBED C#CC[C@@H](NC(=O)[C@](C)(O)Cn1ccc(C)cc1=O)C(=O)O 1588399371 UKJHRDKPBRHLQJ-IAQYHMDHSA-N 306.318 -0.500 30 20 DBED C[C@H](CNC(=O)NCCN/C(O)=C1\N=CC=CC1=O)C(=O)O 1589055095 ODBHFROGIHHKLH-IRXCETGXSA-N 310.310 -0.467 30 20 DBED C=C(CO)C(=O)N1CCN(c2cnccc2-c2nn[nH]n2)CC1 1602767425 FYIYMXFEYZPDNE-UHFFFAOYSA-N 315.337 -0.541 30 20 DBED CC(C)(C(=O)O)n1cc(NC(=O)Cn2cnc(C#N)n2)cn1 1602838243 MPRTYQPARQQDQP-UHFFFAOYSA-N 303.282 -0.195 30 20 DBED C#CC[C@H](NC(=O)CCNS(=O)(=O)c1ccccc1)C(=O)O 1609078946 PYELRVQUISAIIV-LBPRGKRZSA-N 324.358 -0.052 30 20 DBED N#Cc1cccc(CC(=O)N2CCS(=O)(=O)C[C@H]2C(=O)O)c1 1611299800 YQFBMWHPMLKKDN-LBPRGKRZSA-N 322.342 -0.189 30 20 DBED COC(=O)[C@@H](Cn1ccnc1)NC(=O)[C@@H](C)n1cnc(C#N)n1 1645779616 IODNJEWIPVGXFQ-NXEZZACHSA-N 317.309 -0.735 30 20 DBED C#CCN(C(=O)[C@@H]1CCOC1)C1CCN(C[C@H](O)COC)CC1 1733366756 NNPQMKWJZCWKIE-ZBFHGGJFSA-N 324.421 -0.044 30 20 DBED CN(C(=O)c1ccnnc1)C1CCN(CC(=O)NCC#N)CC1 1752307981 DDTYNXBITFSNOH-UHFFFAOYSA-N 316.365 -0.347 30 20 DBED COCC1(C(=O)NC[C@@H]2CCCN(CC(=O)NCC#N)C2)CC1 1752782644 PKMSPEYOEKBMLM-ZDUSSCGKSA-N 322.409 -0.119 30 20 DBED C#CCNCCNC(=O)[C@H]1CCCN(C(=O)c2cnon2)C1 1752927219 QERWEBFTKCCMBR-NSHDSACASA-N 305.338 -0.739 30 20 DBED C#CCNC(=O)CNC[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 1752936488 SBLCIWYDZLUKDJ-LBPRGKRZSA-N 313.361 -0.313 30 20 DBED COCC#CCN[C@H](C)CCNC(=O)Cn1ccccc1=O 1753020031 ZNNLHPDDZHKOQX-CQSZACIVSA-N 305.378 -0.018 30 20 DBED C#CCN[C@@H](CNC(=O)CS(=O)(=O)NC)c1ccccc1 1753303237 ULDDJBYMOPXNAH-ZDUSSCGKSA-N 309.391 -0.384 30 20 DBED C#CCNC(=O)CN1CC(CNC(=O)C2CCC(O)CC2)C1 1753400937 NURGQHUAMGSWHV-UHFFFAOYSA-N 307.394 -0.665 30 20 DBED COCC#CCNCC[C@@H](C)NC(=O)CC[C@@H]1NC(=O)NC1=O 1754021229 KYQVLZXCFZDHAM-NEPJUHHUSA-N 324.381 -0.891 30 20 DBED CN(CCCNCC#N)C(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 1754370428 BWKSDTVNTFZPHY-LLVKDONJSA-N 304.354 -0.276 30 20 DBED C=CCNC(=O)CN1CC[C@H]1CNC(=O)[C@H]1CN2CCC1CC2 1754483152 WRRYIVQKWLQLKI-GJZGRUSLSA-N 320.437 -0.179 30 20 DBED C#CCCN1CC(N(C)C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)C1 1754579124 GGJQSVUTFHQRKA-KGLIPLIRSA-N 307.394 -0.035 30 20 DBED C#CCN(C(=O)[C@@H]1CN(C)CCO1)C1CCN(CC#N)CC1 1754636051 GBSSUSRCSIERPK-HNNXBMFYSA-N 304.394 -0.233 30 20 DBED C#CCN(C(=O)[C@H]1CN(C)C(=O)N1)C1CCN(C[C@@H](C)O)CC1 1754639857 YDPWMKCZNFNFAG-TZMCWYRMSA-N 322.409 -0.683 30 20 DBED C=CCN1CC(O)(CNC(=O)[C@@H](NC(=O)COC)C(C)C)C1 1754776450 ZZDYVWADTVMDCC-ZDUSSCGKSA-N 313.398 -0.878 30 20 DBED C#CCNC(=O)CNCC[C@H]1CCN(C(=O)Cc2cnoc2)C1 1754927184 BANLJOUANZPACT-ZDUSSCGKSA-N 318.377 -0.205 30 20 DBED C#CCCN1CCOC[C@H]1CNC(=O)[C@@H](C)CN1CCOCC1 1754975173 UVPBOVMHJBRKGK-JKSUJKDBSA-N 323.437 -0.205 30 20 DBED C=CCOCC(=O)N1CCO[C@H](CN[C@H]2CCN(C)C2=O)C1 1754994742 AFQNHYUGJQFNIY-OLZOCXBDSA-N 311.382 -0.763 30 20 DBED C#CCN(C)CCOCCNC(=O)c1cnn2c1OCCC2 1755542107 XXFINAUAMNUGHH-UHFFFAOYSA-N 306.366 -0.023 30 20 DBED C=CC(C)(C)C(=O)N(C)C[C@@H](O)CN[C@H]1CCC(=O)NC1=O 1755784731 BITNCJKDVCCXII-QWRGUYRKSA-N 311.382 -0.587 30 20 DBED C#CCNC(=O)CN(C)C[C@@H](O)CN(C)C(=O)c1cccn1C 1755798381 SQUSEFAWNOXZIM-CYBMUJFWSA-N 320.393 -0.861 30 20 DBED C#CCN(C)C[C@@H](O)CN(C)C(=O)c1ccnc2[nH]cnc12 1755801957 MMSNSKBTKFULMR-LLVKDONJSA-N 301.350 -0.044 30 20 DBED C#CCNC(=O)CNC1CC(N(C)C(=O)CN2CC[C@H](C)C2)C1 1755862042 UBNZYRCAKUSDAS-NFOMZHRRSA-N 320.437 -0.343 30 20 DBED C#CCOCCC(=O)NC1CC(CNC(=O)[C@@H]2CCC(=O)N2)C1 1755934414 CDMOYWPAVPUWIK-BPCQOVAHSA-N 321.377 -0.684 30 20 DBED C[C@H](NC(=O)CSCC#N)[C@@H](C)NC(=O)CCn1ccnn1 1755964366 FICHXKKYZPFBTE-MNOVXSKESA-N 324.410 -0.066 30 20 DBED C=CCOCC(=O)N1CC([C@H](C)NC(=O)C[C@H]2CCNC2=O)C1 1756144042 AGRYWMWZDUELBP-NWDGAFQWSA-N 323.393 -0.322 30 20 DBED C=CCOCC(=O)NCC1[C@H]2CN(C(=O)CN(C)C(C)=O)C[C@H]12 1756195584 WUTDTGDRESACRL-ZIAGYGMSSA-N 323.393 -0.512 30 20 DBED C=CCOCC(=O)NC[C@H](CO)NC(=O)[C@H](C)C(F)(F)F 1756519723 UEMWMDFTIQCJCL-DTWKUNHWSA-N 312.288 -0.019 30 20 DBED Cc1ncc(CC(=O)N[C@H](CO)CNC(=O)C#CC2CC2)o1 1756519880 PRFQFXRCRJTPQY-LBPRGKRZSA-N 305.334 -0.468 30 20 DBED C#CCN1CCC(C(=O)NC[C@H](CO)NC(=O)[C@H](C)CC)CC1 1756526923 BBSUCUSCQFYLBS-UKRRQHHQSA-N 323.437 -0.029 30 20 DBED O=C(C#CC1CC1)N[C@@H](CO)CNC(=O)[C@@]12CCCN(CC1)C2 1756538623 RCXCRBXVIHZDMO-PBHICJAKSA-N 319.405 -0.521 30 20 DBED C=CCOCC(=O)NC[C@@H](O)CN(C)C(=O)c1cnc(C)n1C 1756677420 UNYZZZJVVLVSRK-GFCCVEGCSA-N 324.381 -0.520 30 20 DBED C=CCOCC(=O)N1C[C@H]2CCN(C(=O)CCNC(N)=O)C[C@H]21 1757221113 RDWWBUOIUASQPD-VXGBXAGGSA-N 324.381 -0.693 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccnn1CC)CCO2 1783049532 CWJBYAVBZPJFGM-INIZCTEOSA-N 316.361 -0.020 30 20 DBED C#CCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)CN)C2 1800992165 QCMXRRUEVYTFEI-HGTKMLMNSA-N 321.421 -0.026 30 20 DBED C#CC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](N)CN)CC1 1827588088 WETMQHZVBXMDCQ-KBPBESRZSA-N 306.410 -0.475 30 20 DBED CN[C@H](CC(=O)N1CCCC12CN(C(=O)CC#N)C2)C(=O)O 1842950146 LWHWXEUGHWCSCR-SNVBAGLBSA-N 308.338 -0.834 30 20 DBED N#CCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CCC(=O)NC1 1847318212 JMHSDNICLFPSMA-WOPDTQHZSA-N 304.350 -0.372 30 20 DBED CN(CCC#N)S(=O)(=O)N1CCC[C@H](NS(C)(=O)=O)C1 41627783 LMWCUMNNNTZLSL-JTQLQIEISA-N 324.428 -0.910 30 20 DBED C=C(C)CN(CC)C(=O)CN1CCNC(=O)[C@@H]1CC(=O)OC 67126850 FPRLIXFVBHQJAV-LBPRGKRZSA-N 311.382 -0.226 30 20 DBED C=C(C)CN(C)CC(=O)c1c(N)n(CCOC)c(=O)[nH]c1=O 181242980 ABGDMMVXTYDAOV-UHFFFAOYSA-N 310.354 -0.544 30 20 DBED CN(C)S(=O)(=O)CCNC(=O)COc1ccc(C#N)cc1 231004644 MUAKIOWYYOPJBZ-UHFFFAOYSA-N 311.363 -0.055 30 20 DBED C#Cc1cccc(NC(=O)CN(C)C(=O)[C@@H](CO)NC(N)=O)c1 270800229 ZLJJLJWEKRKRRI-GFCCVEGCSA-N 318.333 -0.906 30 20 DBED CCCCNC(=O)[C@@H]1CSCN1C(=O)Cn1cnc(C#N)n1 331141341 KLGZGKSIRFOXFG-JTQLQIEISA-N 322.394 -0.032 30 20 DBED CCS(=O)(=O)C[C@@H](C)NS(=O)(=O)N(C)C[C@@H](C)C#N 332501259 IWNAXAHRNJXHDA-VHSXEESVSA-N 311.429 -0.265 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@]2(C)CCO[C@H]2C)C1=O 332897954 POYVXEZSXVIVDB-XPTSAGLGSA-N 309.322 -0.353 30 20 DBED CN(C[C@@H]1CCCC[C@H]1O)S(=O)(=O)N1CCO[C@@H](C#N)C1 336897300 OHXBNILIVDWJBI-RWMBFGLXSA-N 317.411 -0.062 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CCCN([C@H](C)CO)CC1 337172948 GVUPQUZFXKYBEH-CYBMUJFWSA-N 318.443 -0.145 30 20 DBED C[C@H](CN1CCCCC1)NS(=O)(=O)N1CCO[C@H](C#N)C1 337175970 IZIIRUVZSCWRLG-CHWSQXEVSA-N 316.427 -0.080 30 20 DBED CCOCCS(=O)(=O)NCC(=O)N1CCSC[C@H]1C#N 342207351 BRQKRTMDVBRQQH-SNVBAGLBSA-N 321.424 -0.590 30 20 DBED C[C@H]1C[C@@H](C)CN1S(=O)(=O)CCCS(=O)(=O)NCC#N 349480411 XHMGXDRGVONVCT-MNOVXSKESA-N 323.440 -0.120 30 20 DBED CC(C)n1cc(C#N)c(NC(=O)C(=O)N(C)[C@@H]2CCOC2)n1 359235476 AZCWRHGUGCMRRM-LLVKDONJSA-N 305.338 0.521 30 20 DBED COCc1nc(C(=O)NCCCc2[nH]nc(N)c2C#N)no1 359382935 TXYZUOOUPVWETE-UHFFFAOYSA-N 305.298 -0.244 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCOCC23CCC3)C1=O 366663899 RFMIDFOXQJRSQL-UHFFFAOYSA-N 321.333 -0.255 30 20 DBED C=CCNC(=O)NC(=O)CN1CC[C@@H](S(=O)(=O)NCC)C1 378411555 MQBTZHSZRGNSJH-SNVBAGLBSA-N 318.399 -0.988 30 20 DBED N#Cc1c(N2CCS(=O)(=O)[C@@H](C(=O)O)C2)nc2ccccn12 424480032 YCVFRICZIPUKJW-SNVBAGLBSA-N 320.330 -0.106 30 20 DBED C=CCNC(=O)NC(=O)CN1CCCC[C@H]1CS(C)(=O)=O 451656368 HYSYMYNKLLHBTL-NSHDSACASA-N 317.411 -0.103 30 20 DBED C#CCNS(=O)(=O)c1cccc(C(=O)NC2(C(N)=O)CC2)c1 490803079 JNZMNZZFKBJBHS-UHFFFAOYSA-N 321.358 -0.654 30 20 DBED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)C(=O)O)cc1 490831050 QFUIGRQMWYGDSH-VIFPVBQESA-N 310.331 -0.199 30 20 DBED C=CCOC[C@@H](NS(=O)(=O)c1c(C)n[nH]c1C)C(=O)O 583629063 LUEUZWACSXEFMK-SECBINFHSA-N 303.340 -0.039 30 20 DBED CN(C)S(=O)(=O)N1CCN(C(=O)c2cccc(C#N)n2)CC1 589292004 NAACLWCQYMZEPF-UHFFFAOYSA-N 323.378 -0.483 30 20 DBED CC[C@H](C#N)C(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 593443435 ICJYIMCVLNHXAT-UTUOFQBUSA-N 315.395 -0.850 30 20 DBED CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H](C#N)CO 597745560 DLSKOWWQHOPLAP-DTWKUNHWSA-N 310.314 -0.172 30 20 DBED C[C@H](NS(=O)(=O)N(C)[C@H](C)CC#N)[C@H]1CN(C)CCO1 619750898 PPNBQFNEYXKMFJ-GRYCIOLGSA-N 304.416 -0.226 30 20 DBED C#CCCCS(=O)(=O)NCCCN(CC)S(C)(=O)=O 710090997 RGNYMYOKPHOELB-UHFFFAOYSA-N 310.441 -0.009 30 20 DBED N#Cc1ccc(OCCOC(=O)c2cn(CC(N)=O)nn2)cc1 744126561 LXJREQHALIORNM-UHFFFAOYSA-N 315.289 -0.129 30 20 DBED CN(C)C(=O)c1ccc(C=NN=c2nc3[nH][nH]cc-3c(O)n2)[nH]1 752166341 ZJOUSKVHKKGZEX-UHFFFAOYSA-N 314.309 -0.092 30 20 DBED COCCNC(=O)[C@H](C#N)C(=O)CNC(=O)c1ccccc1 768763516 OUVUOPZVNYHXEG-GFCCVEGCSA-N 303.318 -0.112 30 20 DBED COC(=O)Cn1cccc1C=NNc1ccc(C(N)=O)nn1 776187181 BMOGVZVZQBDYDQ-UHFFFAOYSA-N 302.294 -0.004 30 20 DBED C#C[C@H](NC(=O)N1CCO[C@@H](CNC(C)=O)C1)[C@H]1CCCO1 776231068 NOOKICZJPMJXTH-MELADBBJSA-N 309.366 -0.286 30 20 DBED C#CCNS(=O)(=O)N1CCN(Cc2cccnc2OC)CC1 785763042 BUQRLWKSYQJJRV-UHFFFAOYSA-N 324.406 -0.325 30 20 DBED C#Cc1cncc(C(=O)N2CCN(CC(=O)N(C)C)CC2)c1 806313539 UTXNVPYFBNNBIM-UHFFFAOYSA-N 300.362 -0.091 30 20 DBED CNC(=O)[C@H](O)CNS(=O)(=O)CC1(C#N)CCCCC1 809838004 NNVUIKBHQNMIEE-SNVBAGLBSA-N 303.384 -0.513 30 20 DBED CNC(=O)[C@@H](O)CNS(=O)(=O)c1ccc(C#N)cc1F 809838212 SPXLODJGSCJEFM-VIFPVBQESA-N 301.299 -0.917 30 20 DBED CN1CCN(CCC(=O)N2CCNC[C@H]2C#N)C(C)(C)C1=O 826699524 PCCPHEVEEOTFHN-GFCCVEGCSA-N 307.398 -0.747 30 20 DBED CC1=C(C(=O)N2CCO[C@@H](C#N)C2)[C@@H](C)n2nnnc2N1C 847452523 UAUFARHEINYNJP-ZJUUUORDSA-N 303.326 -0.291 30 20 DBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCOCCN1 854692078 IMEMRQJVWPAIFG-UHFFFAOYSA-N 324.362 -0.912 30 20 DBED C[C@H]1CCN(C(=O)C(=O)Nc2cnn(CC#N)c2)C[C@@H]1CO 857002872 LYUSHONJZDUKEB-WDEREUQCSA-N 305.338 -0.178 30 20 DBED C#CCCOC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 858912520 VMHCNNYWJKCNRU-UHFFFAOYSA-N 321.333 -0.561 30 20 DBED C#CC[C@H](CCOC)NC(=O)CN(C)[C@@H]1CCS(=O)(=O)C1 863783593 RVFCSZPZGWAIQH-CHWSQXEVSA-N 316.423 -0.350 30 20 DBED CN(CCC#N)S(=O)(=O)N1CCO[C@H](c2ccnn2C)C1 907486441 QKHCUMLBJVOKGB-LBPRGKRZSA-N 313.383 -0.116 30 20 DBED COC/C=C\C(=O)N1CCN(C(=O)/C=C/COC)C[C@H]1C#N 912536874 UZVSCDXSAMSNLZ-XHDMAJKUSA-N 307.350 -0.045 30 20 DBED CC(=O)NC[C@@H]1CN(S(=O)(=O)CC(C)(C)C#N)CCO1 914126703 HJZCDKHMYYDPPN-LLVKDONJSA-N 303.384 -0.297 30 20 DBED C=CCC1(O)CCN(C(=O)C2=NN(CCO)C(=O)CC2)CC1 924435322 RKRGUNMFUZHAKN-UHFFFAOYSA-N 309.366 -0.113 30 20 DBED O=C1NC[C@@H](C(=O)NC[C@@H]2CCCCN2C(=O)C#CC2CC2)N1 937398923 AIGIKLYNLNTFDB-STQMWFEESA-N 318.377 -0.422 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CCn1cnnn1 937563132 RCXMWVNIHJQKFV-VWYCJHECSA-N 303.326 -0.965 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](NC(=O)c2cncc(C(N)=O)c2)C1 937995751 QUNAEZFSJKAXSS-SKDRFNHKSA-N 315.333 -0.329 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](N(C)C(=O)c2cn(C)c(=O)cn2)C1 939395158 COQGRHSKYGJRMH-QWRGUYRKSA-N 317.349 -0.387 30 20 DBED CO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)[C@@H]1CCC(=O)N1 944099580 IHQGHLWFWSIMOR-YNEHKIRRSA-N 319.361 -0.980 30 20 DBED O=C(NC[C@@H]1CN(C(=O)C#CC2CC2)CCO1)c1cncnc1 944558484 GAWDXDJQEBOSCN-CQSZACIVSA-N 314.345 -0.153 30 20 DBED C[C@H](C#N)C(=O)N1CCC(O)(CN[C@@H]2CCCNC2=O)CC1 946918898 VBQIKKYTOHLVNN-VXGBXAGGSA-N 308.382 -0.632 30 20 DBED N#Cc1ccc(C(=O)NC[C@@H]2CCN2C(=O)[C@@H]2COC(=O)N2)[nH]1 949452084 FVCBJLUVVQIPQY-ONGXEEELSA-N 317.305 -0.675 30 20 DBED N#Cc1cc(C(=O)NC[C@H]2CCN2C(=O)C2(C(N)=O)CC2)c[nH]1 949499179 XRDUYPFQYYEEOR-LLVKDONJSA-N 315.333 -0.517 30 20 DBED N#Cc1cc(C(=O)NC[C@@H]2CN(Cc3cnon3)C[C@H]2O)c[nH]1 957980582 WOHDVVNSQAUBNO-ZWNOBZJWSA-N 316.321 -0.508 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2cn3c(n2)CCCC3)C1 958117792 WGKOVCWNDAICOR-OCCSQVGLSA-N 302.378 -0.125 30 20 DBED N#CCN1C[C@H](O)[C@H](CNC(=O)c2cnc3[nH]ncc3c2)C1 958176116 QFBNIKPSQOQMBK-NEPJUHHUSA-N 300.322 -0.496 30 20 DBED C#CCN1C[C@H]2[C@H](NC(=O)[C@H]3CC(=O)N(c4cn[nH]c4)C3)[C@H]2C1 959871543 KTSIXPOHHUGCRB-MUYACECFSA-N 313.361 -0.558 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H]2CN(C(=O)CC3(O)CCC3)C[C@@H]21 960882598 NKLUBERBJVNVMG-FRRDWIJNSA-N 321.377 -0.111 30 20 DBED C#CCOc1ncccc1C(=O)NC1[C@H]2CN(CC(N)=O)C[C@H]12 962329403 FHFOZVSAOLIVJS-RYUDHWBXSA-N 314.345 -0.761 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@H]1COCCN1C(=O)CC 964233211 UVWYMTXMXJGPLN-KGLIPLIRSA-N 307.394 -0.162 30 20 DBED COc1c(O)nc(O)nc1C(=O)N[C@@H]1CN(CC#N)CC[C@H]1C 968540280 SWMIPNUXRRHXQR-RKDXNWHRSA-N 321.337 -0.140 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1COCCN1C 968868339 YLTLHQIZAVZSPO-IGQOVBAYSA-N 320.393 -0.322 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@@H]2CCN(C)S2(=O)=O)C(C)(C)C1 977315732 KFFGTAHJNAJTMD-NWDGAFQWSA-N 313.423 -0.520 30 20 DBED CC#CCN1CCCN(C(=O)CCn2cc[nH]c(=O)c2=O)CC1 982227102 HTUYJRCZHBRLSI-UHFFFAOYSA-N 318.377 -0.516 30 20 DBED O=C1N[C@@H](C(=O)NC[C@H]2CCN(C(=O)C#CC3CC3)C2)CO1 982741354 HACZILAKNFQGHM-VXGBXAGGSA-N 305.334 -0.527 30 20 DBED C[C@H]1C[C@H](NCC#N)CN1C(=O)Cn1nc2n(c1=O)CCCC2 989650233 MRQCFGVSBJEHGW-RYUDHWBXSA-N 318.381 -0.516 30 20 DBED N#Cc1c[nH]c(C(=O)NC2CN(C(=O)C[C@H]3COC(=O)C3)C2)c1 990696912 XDEPRIYNQOMIAI-SECBINFHSA-N 316.317 -0.220 30 20 DBED CC#CCN1CC[C@]2(NC(=O)Cn3c(O)nnc3O)CCC[C@@H]12 992442301 BQSXXKSHISZXOX-IAQYHMDHSA-N 319.365 -0.174 30 20 DBED N#Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CC(N)=O)c[nH]1 996118985 REDATRNYXHINBP-WOPDTQHZSA-N 315.333 -0.377 30 20 DBED CC1(C)CN(C(=O)CN2CCC(=O)NC2=O)C[C@@H]1NCC#N 996501291 YMTXSYFIPZJJDE-JTQLQIEISA-N 307.354 -0.722 30 20 DBED C=CCNC1CCN(C(=O)c2cn(CC(=O)N(C)C)nn2)CC1 997367037 HUPWHGIVMONOTN-UHFFFAOYSA-N 320.397 -0.254 30 20 DBED C#CCN[C@H]1CCCN(C(=O)[C@@H]2CCc3nnc(O)n3C2)C1 999552034 BULABIHWTPSFPN-NEPJUHHUSA-N 303.366 -0.240 30 20 DBED Cn1c(C(=O)N2CCN(C(=O)C#CC3CC3)CC2)cnc1O 1011108094 ZBYPDHVGHICMMH-UHFFFAOYSA-N 302.334 -0.177 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C(=O)[C@H]2CCC(=O)N(C)C2)CC1 1011256998 MDVPQWXMBSHBAB-NEPJUHHUSA-N 306.366 -0.315 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C(=O)[C@H]2CCCCC(=O)N2)CC1 1012330948 OQZJUVAIYDGABS-VXGBXAGGSA-N 306.366 -0.124 30 20 DBED CN1C[C@H](C(=O)NC2[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]23)CC1=O 1013241379 BSGJOYGBGBXVLM-JHJVBQTASA-N 315.373 -0.549 30 20 DBED C#Cc1ccc(C(=O)N2C[C@H](NC(=O)C(N)=O)C[C@H]2C)cn1 1013466936 CFQQZUZXHMKUQF-BXKDBHETSA-N 300.318 -0.733 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2C(NC(=O)c3ccc(=O)n(C)n3)[C@H]2C1 1013822958 JFWOXPLFFMLFDV-UTLUCORTSA-N 315.333 -0.873 30 20 DBED C#CCN[C@H]1CCN(C(=O)Cn2nnc(-c3ccco3)n2)C1 1019076229 RJHIWVPWGAFRNI-NSHDSACASA-N 300.322 -0.243 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CCN(C(=O)c3nccnc3N)[C@@H]2C1 1021251850 TXHNZDURSRUWGP-GARJFASQSA-N 314.349 -0.109 30 20 DBED N#CCN[C@@H]1CC[C@H]2CN(C(=O)c3nccnc3C(N)=O)C[C@H]21 1026416638 XORBEWGIHULLGY-HBNTYKKESA-N 314.349 -0.461 30 20 DBED C=C(C)CN1CC[C@H](CNC(=O)[C@@H]2CCS(=O)(=O)N2)C1 1028990626 NIJGOZILXRHRIP-NEPJUHHUSA-N 301.412 -0.308 30 20 DBED C=CCCn1cc(C(=O)NC2CN([C@@H](CC)C(N)=O)C2)nn1 1031080177 ZQWQWOBNYWUBIH-LBPRGKRZSA-N 306.370 -0.468 30 20 DBED C#CCCN1CC(CNC(=O)c2ccc(S(N)(=O)=O)o2)C1 1031812984 NKJKVTMUXXBORJ-UHFFFAOYSA-N 311.363 -0.388 30 20 DBED CCN(C(=O)[C@@H]1CCS(=O)(=O)N1)[C@H]1CCN(CC#N)C1 1034044496 LWETYDVXBRYPGO-QWRGUYRKSA-N 300.384 -0.876 30 20 DBED C#CCCN1CCCC[C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C1 1034531193 JGCQFHVVJDSYLX-CHWSQXEVSA-N 313.423 -0.328 30 20 DBED C=CCCN1CCO[C@@H](CNC(=O)[C@@H]2CCCN2C(N)=O)C1 1035621340 ADFFOUHYOYURQF-STQMWFEESA-N 310.398 -0.077 30 20 DBED C#CCCN1CC[C@@H]2CN(C(=O)CN3CCNC(=O)C3)CC[C@H]21 1036792337 NXJIIDTWDXMERT-HUUCEWRRSA-N 318.421 -0.636 30 20 DBED CC#CCN1CC[C@@H]1CNC(=O)c1cn(CC(=O)N(C)C)nn1 1039052226 KLELDDLISNNSJC-GFCCVEGCSA-N 318.381 -0.806 30 20 DBED C#CCCCC(=O)N1CC[C@@](O)(CNC(=O)c2cnnn2C)C1 1039610060 WQVCTSZXBDBXFX-OAHLLOKOSA-N 319.365 -0.688 30 20 DBED C[C@@]1(C(=O)N2CC[C@](O)(CNC(=O)C#CC3CC3)C2)CCOC1 1039681116 ULQVGCQZUKPVSC-SJORKVTESA-N 320.389 -0.094 30 20 DBED O=C(C#CC1CC1)NC[C@]1(O)CCN(C(=O)c2ncc[nH]2)C1 1039681198 VWOJDDRZEQFQRU-OAHLLOKOSA-N 302.334 -0.484 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)CCCN(C)C)C1 1040720865 MMZSJDOFJYIVHD-IUODEOHRSA-N 310.398 -0.433 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)CCSC)C1 1041370836 NMTQEZFEXXOOIV-UHFFFAOYSA-N 302.396 -0.368 30 20 DBED Cc1c[nH]c(C(=O)N2CC(O)(CNC(=O)CSCC#N)C2)n1 1041575531 XJUALWHMNIWUGR-UHFFFAOYSA-N 323.378 -0.722 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)c2nnn(C)c2C)C1 1042277585 SWYKQROLGVYTBV-UHFFFAOYSA-N 307.354 -0.607 30 20 DBED CN(C(=O)c1c[nH]c(C#N)c1)C1CN([C@@H]2CCCNC2=O)C1 1042637237 DHGPYRJFWFIGJU-CYBMUJFWSA-N 301.350 -0.079 30 20 DBED CCn1nccc1C(=O)NCC1(O)CN(C(=O)C#CC(C)C)C1 1042749965 CLFGWZGAANBMOY-UHFFFAOYSA-N 318.377 -0.135 30 20 DBED O=C(C#CC1CC1)NCC1(O)CN(C(=O)Cc2ccco2)C1 1042960400 IZICDYPVIAEJBI-UHFFFAOYSA-N 302.330 -0.075 30 20 DBED C[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1Nc1cnc(C#N)cn1 1043334649 CDXMUTAPEIOHFX-MWLCHTKSSA-N 313.325 -0.706 30 20 DBED COCC(=O)N1CCO[C@@H]2CN(c3cncc(C#N)n3)C[C@@H]21 1043647997 UFRLZMZMTGRTDJ-NWDGAFQWSA-N 303.322 -0.589 30 20 DBED Cc1nc(N2C[C@H](O)[C@H](NC(=O)c3cc[nH]n3)C2)ccc1C#N 1043862511 XXYDDPHBBBSRSX-OLZOCXBDSA-N 312.333 -0.036 30 20 DBED Cc1ncoc1C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@@H]1O 1043905570 RNJVNQKVSIIQOR-MNOVXSKESA-N 314.305 -0.376 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)[C@H]2CC[C@@H]2C(N)=O)C1 1044451866 LOFPJZNUZMGIIN-QWRGUYRKSA-N 323.393 -0.600 30 20 DBED CC(C)CO[C@H](C)C(=O)N1CC(O)(CNC(=O)[C@@H](C)C#N)C1 1045539991 BWXABEOQCKFAMD-NWDGAFQWSA-N 311.382 -0.103 30 20 DBED Cc1nn(C)cc1C(=O)N1CC(O)(CNC(=O)[C@H](C)C#N)C1 1045541354 UQGZQRKRZAKDDC-SECBINFHSA-N 305.338 -0.809 30 20 DBED CCc1nn(C)cc1C(=O)N1CC(O)(CNC(=O)[C@H](C)C#N)C1 1045552004 PJXFKVDBXIOHGX-SNVBAGLBSA-N 319.365 -0.555 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)CCc2cscn2)C1 1045564404 GXBIUKQTEGTRMO-SNVBAGLBSA-N 322.390 -0.075 30 20 DBED Cc1nc(C(=O)N2CC(O)(CNC(=O)[C@@H](C)C#N)C2)cs1 1045564834 NQEABMPFKZNOOK-QMMMGPOBSA-N 308.363 -0.086 30 20 DBED CN(C(=O)c1cnc2nccnc2c1)[C@H]1CN(CC#N)C[C@@H]1O 1047411885 HBTKCRACHFGLAJ-STQMWFEESA-N 312.333 -0.335 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cnns2)C1 1048378456 QSTRUFJRJSCYHF-QWRGUYRKSA-N 322.390 -0.015 30 20 DBED CN(C(=O)C#CC1CC1)[C@H]1CN(C(=O)c2cncn2C)C[C@@H]1O 1048825084 RZXGYTALKZGDDH-KBPBESRZSA-N 316.361 -0.523 30 20 DBED C=CCn1cc(C(=O)N2C[C@@H]3CN([C@@H](C)C(N)=O)C[C@@H]3C2)nn1 1049103117 GBAVWPJWQXGLRU-SDDRHHMPSA-N 318.381 -0.658 30 20 DBED CN(C)C(=O)CN1CCOC[C@H]1CNC(=O)c1cc(C#N)c[nH]1 1050865345 KZVFNEMFPQNQCR-GFCCVEGCSA-N 319.365 -0.595 30 20 DBED CN1CCCC[C@@H](C(=O)NC[C@@H]2COCCN2CC#N)C1=O 1051209756 MQPCKDHSPIVZCQ-OLZOCXBDSA-N 308.382 -0.415 30 20 DBED N#Cc1ccc(C(=O)N2CCO[C@H](CNCc3cnon3)C2)[nH]1 1051554184 APOAUGHREVFJIZ-GFCCVEGCSA-N 316.321 -0.100 30 20 DBED N#Cc1cc(C(=O)N2CCO[C@H](CN[C@@H]3CCNC3=O)C2)c[nH]1 1051561986 DOPXCMTUOQQQMM-CHWSQXEVSA-N 317.349 -0.795 30 20 DBED N#Cc1ccc(N2C[C@H]3[C@H](NC(=O)Cn4cncn4)[C@H]3C2)nc1 1056219267 ZZGPSUCZCMRWHX-JYAVWHMHSA-N 309.333 -0.204 30 20 DBED N#Cc1ccc(N2C[C@H]3[C@H](NC(=O)[C@@H]4CNC(=O)N4)[C@H]3C2)cn1 1056391780 GVSBNAJCKXYXAH-QNWHQSFQSA-N 312.333 -0.815 30 20 DBED CN(c1cnc(C#N)cn1)[C@@H]1CCN(C(=O)Cn2cncn2)C1 1056919688 DYFIEIUAOYLUFI-GFCCVEGCSA-N 312.337 -0.323 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)[C@H](CC)OC 1057154416 YJWYCEXKQMIVGX-LBPRGKRZSA-N 302.371 -0.449 30 20 DBED C=C(C)C[C@@H](C)C(=O)NCCN(CCO)C(=O)c1ncn(C)n1 1057498851 NAVSZEAHWNTLJY-GFCCVEGCSA-N 323.397 -0.032 30 20 DBED N#Cc1nccnc1N[C@@H]1CCCN(C(=O)[C@H]2CNC(=O)N2)C1 1057749523 WMWGBDXAHNATIN-MWLCHTKSSA-N 315.337 -0.567 30 20 DBED CC(C)[C@H](C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N)N(C)C 1058250905 NIVZHYCIDSNNDU-QWHCGFSZSA-N 312.414 -0.331 30 20 DBED N#Cc1cncc(N2CC[C@H](NC(=O)c3nccnc3N)C2)n1 1058316008 RXXGZLLXFKXPBY-VIFPVBQESA-N 310.321 -0.271 30 20 DBED Cc1cc(C#N)nc(N2CC[C@@H](NC(=O)[C@@H]3CNC(=O)N3)C2)n1 1058531574 STYCAXVIPTYJLU-KOLCDFICSA-N 315.337 -0.967 30 20 DBED C=CC(C)(C)C(=O)NCCN(CCO)C(=O)[C@@H](COC)OC 1058758312 LFEGEBIHXUKPFH-GFCCVEGCSA-N 316.398 -0.203 30 20 DBED C[C@H](C(=O)N1CC[C@H](Nc2ccc(C#N)nn2)C1)S(C)(=O)=O 1059109189 FQFCRNVFVQNXKC-KOLCDFICSA-N 323.378 -0.206 30 20 DBED COCCC(=O)NC[C@@H]1COCCN1C(=O)c1ccc(C#N)[nH]1 1061159823 AGQLNQNINSGCOK-GFCCVEGCSA-N 320.349 -0.120 30 20 DBED Cn1nnc(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccncc2C#N)n1 1062560467 BZJUMQKKROPUHN-QWRGUYRKSA-N 310.321 -0.420 30 20 DBED N#Cc1ccc(NCC[C@H]2CCCN(C(=O)C(N)=O)C2)nn1 1063291785 AGHFWRVFPNJNEK-SNVBAGLBSA-N 302.338 -0.126 30 20 DBED N#Cc1cncc(N2CC[C@H]3CN(C(=O)C(N)=O)CC[C@H]32)n1 1064034558 XVUKETPIVRNCHM-GXSJLCMTSA-N 300.322 -0.739 30 20 DBED CC(C)C#CC(=O)N1CCO[C@@H](CNC(=O)[C@H]2CCNC2=O)C1 1065127465 YVNINEJOPUTMEM-STQMWFEESA-N 321.377 -0.875 30 20 DBED Cn1cnc(C(=O)N[C@]2(C)CCN(c3nccnc3C#N)C2)n1 1065249618 XOPKDHLONKWCEE-CQSZACIVSA-N 312.337 -0.124 30 20 DBED C=CCOCC(=O)N(C)CCCN(C)C(=O)[C@H]1CCC(=O)N1 1067001623 KGFSPWUWUOYLTQ-GFCCVEGCSA-N 311.382 -0.226 30 20 DBED C=CC(C)(C)CC(=O)N1CC2(C1)CN(C(=O)C(N)=O)CCO2 1068447703 RZDYWPPAHQTDKQ-UHFFFAOYSA-N 309.366 -0.486 30 20 DBED CCN(C)CCC(=O)N[C@@H]1COC2(C1)CN(C(=O)[C@@H](C)C#N)C2 1069035794 OHIQAGHSWSJWCT-STQMWFEESA-N 322.409 -0.026 30 20 DBED C=CCCC(=O)N1CC2(C[C@H](NC(=O)Cn3cncn3)CO2)C1 1069046328 NLGZAGBGTWRLNI-LBPRGKRZSA-N 319.365 -0.270 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CCCN(C(=O)CNC(C)=O)C1 1070368143 SQKONFCBOFMERY-DGCLKSJQSA-N 311.382 -0.179 30 20 DBED Cn1cnc([C@@H]2CN(C(=O)c3cnccn3)C[C@H]2NCC#N)c1 1070462607 OLZLKUDBIKATQX-SMDDNHRTSA-N 311.349 -0.069 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)CC(N)=O)C1 1070921870 QYMNHPDKJDRERO-OLZOCXBDSA-N 320.393 -0.933 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)[C@@H](C)n2cncn2)CC1 1070957601 MXRQYESMCOWLLA-CYBMUJFWSA-N 318.381 -0.877 30 20 DBED CC(C)C#CC(=O)N[C@H]1CN(C(=O)Cn2cncn2)C[C@@H]1C 1072772936 MIERNMPVGSFBRU-STQMWFEESA-N 303.366 -0.099 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC[C@@H](NC(=O)C(N)=O)C(C)(C)C1 1073479098 GVDRLDDROIXNOA-BMIGLBTASA-N 311.382 -0.458 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)c2nnn(C(C)(C)C)n2)C1 1073610670 AIIYIZCPOVVPDY-GFCCVEGCSA-N 320.397 -0.118 30 20 DBED C=C(C)CCN1CCCO[C@H](CNC(=O)[C@H]2CNC(=O)N2)C1 1073751690 GLJOZIZWWHXLPF-CHWSQXEVSA-N 310.398 -0.159 30 20 DBED C#CCCCC(=O)N1CC[C@H](NC(=O)c2nnn(C)n2)[C@@H](C)C1 1074110523 RRLZRMLARMHZQG-RYUDHWBXSA-N 318.381 -0.020 30 20 DBED C=CCN1CCO[C@H]2CCN(C(=O)C3CN(C(C)=O)C3)C[C@H]21 1074226239 MIWITHAXTVJRAE-CABCVRRESA-N 307.394 -0.048 30 20 DBED C#CCN1CCC(C(=O)NCC[C@H](C)NC(=O)COC)CC1 1076916068 RYKCYLISUOEMQO-ZDUSSCGKSA-N 309.410 -0.011 30 20 DBED C#CCOCCC(=O)N[C@@H](C)CCNC(=O)[C@@]1(C)CNC(=O)C1 1077453505 HXOKFDBGFKYXIU-BLLLJJGKSA-N 323.393 -0.437 30 20 DBED CCCC(=O)N1CCC[C@H]1C(=O)N[C@@H]1CN(CC#N)C[C@H]1O 1078222898 VOYKYEGPXMIMTE-FRRDWIJNSA-N 308.382 -0.538 30 20 DBED C#CCNC(=O)CC(=O)N1CCC2(CC1)CN(C(C)=O)CCO2 1079132816 GOKPSLKUZPMRMD-UHFFFAOYSA-N 321.377 -0.634 30 20 DBED CCN(C(=O)C#CC1CC1)C1CN(C(=O)CCn2cnnn2)C1 1079738307 ULFIQOYSDHGRNN-UHFFFAOYSA-N 316.365 -0.464 30 20 DBED C=CCOCC(=O)N1CC(N(CC)C(=O)c2cnn(C)n2)C1 1080094459 XMKJDHIPGGFNHB-UHFFFAOYSA-N 307.354 -0.309 30 20 DBED CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)c2cn(C)c(=O)cn2)C1 1080413267 UVYSMVHOBOWPEJ-SNVBAGLBSA-N 317.349 -0.387 30 20 DBED C[C@@H](C#N)C(=O)NC1(CO)CCN(C(=O)[C@@]23COC[C@@H]2C3)CC1 1080983901 ZNKFPJBCZHTSLK-MKBNYLNASA-N 321.377 -0.348 30 20 DBED C=CCOCC(=O)N1C[C@H](CNC(=O)CCOC)[C@@H](O)C1 1081147393 OQUWOJDLIUJOFN-RYUDHWBXSA-N 300.355 -0.839 30 20 DBED CCN(C)CCC(=O)N1C[C@H](O)[C@H](CNC(=O)C#CC2CC2)C1 1081471415 NCGYIFZYKFMNNZ-CABCVRRESA-N 321.421 -0.323 30 20 DBED C#CCNC(=O)CC(=O)N1CCCC[C@H]1CNC(=O)COCC 1082015873 OTNNSVDHZXEZFO-ZDUSSCGKSA-N 323.393 -0.340 30 20 DBED C#Cc1cncc(C(=O)N2C[C@@H](N[C@@H](C)C(N)=O)[C@H](C)C2)c1 1082729940 PIWJJJWMVVZSTE-UHIISALHSA-N 300.362 -0.013 30 20 DBED C=CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CN1C(=O)CNC1=O 1083268658 NUNSNSIHXFCAQA-NWDGAFQWSA-N 322.365 -0.974 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCc3nc(C)nn3C2)C1 1083662598 ABEPZYOMTIRWLK-MJBXVCDLSA-N 317.393 -0.666 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)Cc2ncccc2OC)C1 1083728941 WVVRIDOCNSACLC-KGLIPLIRSA-N 303.362 -0.183 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)C2CCN(CC3CC3)CC2)C1 1083937213 RGVDPOVAZRIBMZ-CABCVRRESA-N 306.410 -0.207 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](NC(=O)Cn2ccccc2=O)C1 1084044028 SPGCFPGJBLJWJI-KGLIPLIRSA-N 305.378 -0.024 30 20 DBED C#CCN1CC[C@H]1CN(C)C(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 1085593933 VFYQXYCSDOTVKE-OLZOCXBDSA-N 315.377 -0.072 30 20 DBED CN1CC[C@H](C(=O)NC[C@H]2C[C@H](NCC#N)C2)S1(=O)=O 1086503174 GXBJDLSGYKBUAP-GMTAPVOTSA-N 300.384 -0.972 30 20 DBED C#CCN1CCC[C@H]2[C@H]1C(C)(C)[C@@H]2NC(=O)Cn1ncnn1 1087286743 WKYXYWQNHSQRLA-BNOWGMLFSA-N 302.382 -0.089 30 20 DBED C=C(C)CN1CC[C@@H]2CN(C(=O)Cn3ncn(C)c3=O)C[C@@H]2C1 1088019339 IAFRYJDHBCWJRE-KGLIPLIRSA-N 319.409 -0.062 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)[C@H]1C 1089045814 ITZZXPAXDLFGTH-GRYCIOLGSA-N 301.412 -0.167 30 20 DBED Cn1cnn(CC(=O)N[C@@H]2CCN(CC#N)CC(C)(C)C2)c1=O 1089418888 BOFALJIXLVKQSC-GFCCVEGCSA-N 320.397 -0.288 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2ccnn2CCOC)[C@H](O)C1 1090349406 LWSMUBBMTDRGDR-UKRRQHHQSA-N 320.393 -0.282 30 20 DBED COC[C@H](OC)C(=O)N[C@H]1[C@@H]2CN(c3ccnc(C#N)n3)C[C@@H]21 1093345557 PQBGXELHLXVRNQ-BBGACYKPSA-N 317.349 -0.440 30 20 DBED N#CCN1CC(OC2CCN(C(=O)[C@@H]3COC(=O)N3)CC2)C1 1093532895 MWFQQOIZHZJTET-LBPRGKRZSA-N 308.338 -0.690 30 20 DBED Cn1nc(C(=O)NCCCNc2ccc(C#N)nn2)ccc1=O 1094422583 IOYNDYJMJRNFII-UHFFFAOYSA-N 313.321 -0.326 30 20 DBED Cc1cc(CC(=O)NCCCN=c2cc[nH]c(C#N)n2)n(C)n1 1094665299 DMIOGVGMOQMQPY-UHFFFAOYSA-N 313.365 -0.027 30 20 DBED C=CCN1CCN(C(=O)c2ccncn2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094668035 BPVZDFQXBXKACJ-QWHCGFSZSA-N 322.390 -0.414 30 20 DBED Cc1cc(C#N)nc(NCCCNC(=O)[C@@H]2CCNC2=O)n1 1094706898 KPQMDKANOIXNHL-NSHDSACASA-N 302.338 -0.289 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)c3cc(C)[nH]n3)CC2=O)C1 1094711467 FYTYJMWMRQYJPM-LLVKDONJSA-N 301.350 -0.634 30 20 DBED Cc1nscc1C(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1 1094722747 XAPQRMBZWUHBSS-JTQLQIEISA-N 319.390 -0.010 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)c3nccn3CC)CC2=O)C1 1094732809 CDDOXLOPXKKQBB-LBPRGKRZSA-N 315.377 -0.449 30 20 DBED CC(=O)N1CC(C(=O)NCCCN(C)c2cncc(C#N)n2)C1 1095542308 MMLYCXLMVYIWNC-UHFFFAOYSA-N 316.365 -0.231 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1C[C@H](Nc2nccnc2F)C1 1097023741 YQTVXONLPRSSNM-MGCOHNPYSA-N 305.313 -0.186 30 20 DBED N#Cc1nc(=N[C@H]2C[C@@H](NC(=O)CNC(=O)C3CC3)C2)cc[nH]1 1097155430 MKRZQVWOXJFKCU-PHIMTYICSA-N 314.349 -0.645 30 20 DBED C#CCN(CCO)C1CCN(C(=O)C[C@H]2CCCC(=O)N2)CC1 1098423885 IWUKSXRVWLYOJL-CQSZACIVSA-N 321.421 -0.036 30 20 DBED C=CCNCc1cn([C@@H]2CCN(C(=O)c3cnn(C)n3)C2)nn1 1098746180 RGWFWOWRAIDTNA-GFCCVEGCSA-N 316.369 -0.231 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)CC2CCCC2)[C@@H](O)C1 1099631566 XFCLRJYGOCHEPY-GJZGRUSLSA-N 321.421 -0.133 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)c2ccoc2C)[C@H](O)C1 1099643820 BGWNJARAKZHPDW-UONOGXRCSA-N 319.361 -0.498 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1CCN(CCS(C)(=O)=O)C[C@@H]1O 1099944404 NIJUDLOQORKWBD-NEPJUHHUSA-N 318.439 -0.205 30 20 DBED C#CCCN1CC[C@@H](NC(=O)C(C)(C)S(C)(=O)=O)[C@@H](O)C1 1100021763 CECSUMPFTWHVCQ-NEPJUHHUSA-N 316.423 -0.616 30 20 DBED C=C(Cl)CN1CC[C@H](NC(=O)C2(C(=O)NC)CC2)[C@@H](O)C1 1100033596 IIVPSNGOHOVFRS-QWRGUYRKSA-N 315.801 -0.184 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)N[C@@H]1CCN(CC=C)C[C@@H]1O 1100128673 ALOJHLNLWQSCKX-OLZOCXBDSA-N 324.425 -0.012 30 20 DBED CCC(=O)NCC(=O)NC[C@H]1CCCN1c1cncc(C#N)n1 1100810557 WMKBYJDDCDXWOT-GFCCVEGCSA-N 316.365 -0.041 30 20 DBED CC(=O)N[C@H](C)C(=O)NC[C@@H]1CCN(c2nccnc2C#N)C1 1100921777 MPQGXTXGOPSHPX-PWSUYJOCSA-N 316.365 -0.185 30 20 DBED N#Cc1ccc(N(CCNC(=O)[C@H]2CCC(=O)N2)C2CC2)nn1 1101304153 TUACHICDRFHSQW-GFCCVEGCSA-N 314.349 -0.288 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CC2(CN(CCO)C2)n2ccnc21 1101629565 WATNTSJPAHOBNN-QWHCGFSZSA-N 318.377 -0.514 30 20 DBED C[C@H](CC(=O)N(C)CCNc1cnc(C#N)cn1)NC(N)=O 1101786346 UCKUDXZGNVNIPP-SECBINFHSA-N 305.342 -0.335 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)[C@@H](C1CC1)N(C)C 1101821602 JVPRLHXRNXOLBN-CQSZACIVSA-N 302.382 -0.019 30 20 DBED C[C@@H](CN=c1cc[nH]cc1C#N)N(C)C(=O)[C@H]1COCCN1C 1104527017 KKUPMFQOAAOQTF-SWLSCSKDSA-N 317.393 -0.035 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)c1cnn(C)n1 1104611303 FPFYVGPHNFLATF-VIFPVBQESA-N 300.326 -0.529 30 20 DBED N#Cc1nccnc1NC[C@@H](O)CNC(=O)Cn1cccn1 1105721804 FUVXIDUETKAHDP-JTQLQIEISA-N 301.310 -0.866 30 20 DBED Cc1cnn(CC(=O)NC[C@H](O)CNc2cncc(C#N)n2)c1 1105733831 ZQCKJNBOABHVHQ-GFCCVEGCSA-N 315.337 -0.558 30 20 DBED Cc1cc(=NC[C@@H](O)CNC(=O)[C@H]2CCOC2)c(C#N)c[nH]1 1105737953 MGLZHYJBGBYLFU-WCQYABFASA-N 304.350 -0.391 30 20 DBED C[C@@H](C(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1)n1cccc1 1105788310 IMJVXAAVDHSPBQ-RYUDHWBXSA-N 314.349 -0.278 30 20 DBED CCCOCC(=O)N1C[C@@H](C)[C@H](CNCC(=O)NCC#N)C1 1105907354 IBFAKPIJABDNSM-CHWSQXEVSA-N 310.398 -0.263 30 20 DBED C=CCN1CC(n2cc(CNC(=O)Cn3cncn3)nn2)C1 1107234550 IMEJBWRAGHLVAC-UHFFFAOYSA-N 302.342 -0.771 30 20 DBED C[C@@H](C(=O)NC/C=C/CNc1cnc(C#N)cn1)S(C)(=O)=O 1107576585 OFCGZTJGHIAETA-FSIBCCDJSA-N 323.378 -0.134 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)COCc2ccnn2C)C1 1108018665 MODNYYQTYFYNCO-MRXNPFEDSA-N 320.393 -0.223 30 20 DBED C[C@@H](CNc1nccnc1C#N)NC(=O)[C@H]1CCNC(=O)C1 1108335779 VPBHKWMQKGIBJA-UWVGGRQHSA-N 302.338 -0.209 30 20 DBED C[C@@H](CNc1ccc(C#N)nn1)NC(=O)[C@@H]1CCCN1C(N)=O 1108427705 VKEJXPQCDXANQO-ONGXEEELSA-N 317.353 -0.192 30 20 DBED C#CCOCCC(=O)N1CCN(CC)[C@H]2CS(=O)(=O)C[C@H]21 1108473912 BLZBDIQFYSSAFI-QWHCGFSZSA-N 314.407 -0.644 30 20 DBED CCOCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1109046387 JBYAWKHEIMPVAG-AGIUHOORSA-N 308.382 -0.226 30 20 DBED C[C@@H](CN(C)c1ccncc1C#N)NC(=O)[C@@H]1CN(C)C(=O)N1 1109194786 WFLKMXGLLWDQID-JQWIXIFHSA-N 316.365 -0.082 30 20 DBED N#Cc1nccnc1N1C[C@H]2C[C@H]1[C@@H]2NC(=O)CCc1cnn[nH]1 1109742121 UIWAZZZOBONIIV-LJWDBELGSA-N 324.348 -0.208 30 20 DBED N#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCn1cc[nH]c(=O)c1=O 1109849469 SXJIGGVUEWKBOC-WOPDTQHZSA-N 317.349 -0.828 30 20 DBED CNC(=O)NCCC(=O)NCC1(Nc2cnc(C#N)cn2)CC1 1110129532 NIEAUDDFAQXWRT-UHFFFAOYSA-N 317.353 -0.272 30 20 DBED CNC(=O)C1(C(=O)NCC2(Nc3ccc(C#N)nn3)CC2)CC1 1110175382 AUSUJZZRPMNVQF-UHFFFAOYSA-N 314.349 -0.065 30 20 DBED N#Cc1c[nH]ccc1=NC1(CNC(=O)[C@H]2CC[C@H]2C(N)=O)CC1 1110299622 CICYBKYXNGTSRQ-NEPJUHHUSA-N 313.361 -0.053 30 20 DBED C[C@]1(CN=c2cc[nH]cc2C#N)CCN(C(=O)CNC(N)=O)C1 1110829557 ZHHHBUFTQMCEAN-OAHLLOKOSA-N 316.365 -0.306 30 20 DBED C[C@@H](CC(N)=O)C(=O)N(CCO)CCN=c1cc[nH]cc1C#N 1111535189 NBXNCTQCFKNZRW-NSHDSACASA-N 319.365 -0.881 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1COCCN1c1nccnc1C#N 1111663198 QTQSKSYAUIFVPV-GHMZBOCLSA-N 300.322 -0.171 30 20 DBED Cn1nnc(C(=O)NCC2(Nc3ccc(C#N)nn3)CCC2)n1 1111887093 GBULSGBZQYFBFD-UHFFFAOYSA-N 313.325 -0.364 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCCN(C)c1ccc2nnnn2n1 1112061650 HQQHVGMSQDVLTR-JTQLQIEISA-N 302.342 -0.036 30 20 DBED C#CCNC[C@]12CCC[C@H]1CN(C(=O)CN1C(=O)CCC1=O)C2 1112575536 OQLHOKJOIGRQRI-GUYCJALGSA-N 317.389 -0.013 30 20 DBED N#CCSCC(=O)N1CCN(CCNC(=O)C2CC2)CC1 1112630363 YHHYUQWLNSIADO-UHFFFAOYSA-N 310.423 -0.086 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)c2cnn(CC)c2)CC1 1112723788 CBRUQIPCLMTISY-CYBMUJFWSA-N 317.393 -0.201 30 20 DBED C=C(C)CN1CCN(C(=O)CN(C)S(=O)(=O)N(C)C)CC1 1112848344 MFFSEUXCPXYOFG-UHFFFAOYSA-N 318.443 -0.555 30 20 DBED C[C@H](N=c1cc[nH]cc1C#N)[C@H](C)NC(=O)Cn1cnnn1 1112904989 GRPAGWYYSPILKY-UWVGGRQHSA-N 300.326 -0.633 30 20 DBED COCC#CCN1CCN(C(=O)[C@H]2CC(=O)N[C@@H](C)C2)CC1 1113054034 VJLACHQZCKDTEJ-UONOGXRCSA-N 307.394 -0.305 30 20 DBED C#CCCN1CCN(C(=O)[C@H](Cc2cnc[nH]2)NC(C)=O)CC1 1113295004 BOTYPJRBLALDNI-HNNXBMFYSA-N 317.393 -0.376 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)c2cc3c([nH]2)CCC3)CC1 1113525346 LWSKQYIIKWKIMF-UHFFFAOYSA-N 315.377 -0.099 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)Cc3ccon3)[C@@H]2C1 1114094077 YJTPIOHHOGCIPE-CYZMBNFOSA-N 316.361 -0.599 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3cccc(O)n3)[C@H]2C1 1114101756 VNHILJXCXDDVCI-QWRGUYRKSA-N 314.345 -0.803 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)c3cncnc3)[C@@H]2C1 1114163124 AXJBMPZMEJDPKM-CYZMBNFOSA-N 315.377 -0.173 30 20 DBED CC(=O)NCC(=O)NC[C@H]1[C@@H]2CN(c3ccc(C#N)nc3)C[C@H]12 1114503020 FMDLGKZQEAHOBV-QKDCVEJESA-N 313.361 -0.112 30 20 DBED COCC#CCN1C[C@@H]2C(NC(=O)[C@@H]3CCC(=O)N3C)[C@H]2C1 1114695115 AJXGPAGBTBKDSY-AVGNSLFASA-N 305.378 -0.697 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)c3conc3C)[C@H]2C1 1114765773 LFUYPKCBACABMQ-CIQGVGRVSA-N 316.361 -0.219 30 20 DBED C=CCCCN1C[C@H]2C(NC(=O)C[C@H](NC(C)=O)C(N)=O)[C@@H]2C1 1114933393 VBNVENWGLAVBLM-UPJWGTAASA-N 322.409 -0.621 30 20 DBED CC#CCN1C[C@@H]2C(NC(=O)C(C)(C)NS(C)(=O)=O)[C@H]2C1 1114942400 LJGKHYLAKJVDKG-QWRGUYRKSA-N 313.423 -0.616 30 20 DBED COCCC(C)(C)C(=O)NC1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]12 1115055137 AXITVYUFOBPASD-VXGBXAGGSA-N 322.409 -0.265 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)Cn3ccnc3)[C@@H]2C1 1115341824 LNDCRRBXJYVGKC-VXGBXAGGSA-N 303.366 -0.768 30 20 DBED N#Cc1ccc(S(=O)(=O)CCNCC2(CO)COC2)cc1 1118179268 OXSFFBINVQMTIM-UHFFFAOYSA-N 310.375 -0.070 30 20 DBED C#CCNC1(CNC(=O)Cn2c(O)nnc2O)CCCCC1 1120069249 ZGAWOUOBNQWZIO-UHFFFAOYSA-N 307.354 -0.269 30 20 DBED N#CCNC(=O)CNC1CC2(C1)CC(NC(=O)[C@H]1CCOC1)C2 1120781848 LOPMJSZZXYBMPV-KWDKGFIESA-N 320.393 -0.320 30 20 DBED C#CCOCCC(=O)NC1CC2(C1)CC(N[C@H](C)C(N)=O)C2 1121102303 DOHHXDJOSIWOAR-MPXNVAGNSA-N 307.394 -0.083 30 20 DBED N#Cc1cccnc1N[C@@H](CO)CNC(=O)Cc1cncnc1 1121412865 XAZLXTHCYNSMQJ-CYBMUJFWSA-N 312.333 -0.125 30 20 DBED N#Cc1nccnc1N[C@H](CO)CNC(=O)C1CCC(O)CC1 1121496025 DJNSVNJBZLLSTR-CXQJBGSLSA-N 319.365 -0.212 30 20 DBED CNC(=O)C1(C(=O)NC[C@@H](CO)Nc2ncccc2C#N)CC1 1121757264 QQEDGVDRSVSPHK-NSHDSACASA-N 317.349 -0.632 30 20 DBED C=CCO[C@@H](C)C(=O)NC[C@H](CO)Nc1cncc(C#N)n1 1121757313 RRSXQYOUHSQOIJ-CMPLNLGQSA-N 305.338 -0.172 30 20 DBED C[C@@H](CC(N)=O)C(=O)NC[C@H](CO)Nc1ccc(C#N)cn1 1122353900 DYTOXSJEMVQSCW-GXSJLCMTSA-N 305.338 -0.646 30 20 DBED N#Cc1cnc(N[C@H](CO)CNC(=O)c2csc(O)n2)cn1 1122429085 GJNUMVIBKUKSHL-QMMMGPOBSA-N 320.334 -0.287 30 20 DBED CN1C[C@H](C(=O)NC[C@H](CO)Nc2ccc(C#N)nc2)CC1=O 1122718160 LYSJTKCIOOVWCA-ZWNOBZJWSA-N 317.349 -0.679 30 20 DBED CN(C[C@@H](O)CNc1ncccc1C#N)C(=O)[C@H]1CCC(=O)N1 1124207251 MLBNGODPYUBPOS-NWDGAFQWSA-N 317.349 -0.537 30 20 DBED Cc1nonc1C(=O)N(C)C[C@@H](O)CN=c1cc[nH]c(C#N)n1 1124399591 SWFOSRNXQWJINO-VIFPVBQESA-N 317.309 -0.993 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)c1ncccn1 1124453785 HXFCGQLFMAGQLN-SNVBAGLBSA-N 313.321 -0.895 30 20 DBED Cc1cc(N2CC[C@H](NCCNC(=O)[C@H](C)C#N)C2=O)n(C)n1 1124903956 VBOCJRCNAXDHIV-PWSUYJOCSA-N 318.381 -0.301 30 20 DBED CO[C@H](C)C(=O)N(C)C[C@H](O)CN(C)c1nccnc1C#N 1124956976 GPQQCLJOCJVKRW-GHMZBOCLSA-N 307.354 -0.361 30 20 DBED CCCNC(=O)NC(=O)CNCCNC(=O)c1ccc(C#N)[nH]1 1125776191 ILFSHJDILRCSOS-UHFFFAOYSA-N 320.353 -0.558 30 20 DBED C#CCNC(=O)CC(=O)NCCNCc1cc(OC)ns1 1125978350 ONUIYXHIAKJVEG-UHFFFAOYSA-N 310.379 -0.503 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CCc2nnc(CNCC#N)n2CC1 1127965414 URHHLUIZJAJBQQ-QWRGUYRKSA-N 301.354 -0.128 30 20 DBED CCOc1ccc(C(=O)NCCNCC(=O)NCC#N)cn1 1128744457 TUDJSUIJXDYQIW-UHFFFAOYSA-N 305.338 -0.561 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@]1(CC(C)C)CCNC1=O 1129875620 VKCIDOZJIAXZOI-INIZCTEOSA-N 324.425 -0.453 30 20 DBED C[C@H](NC(N)=O)C(=O)NCc1c[nH]nc1[C@@H]1CCN(CC#N)C1 1130381181 RVKLPKUQMJZERR-VHSXEESVSA-N 319.369 -0.604 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2ccnnc2)CC[C@H]1C 1132322250 QLTNFYVAOLRKGC-OCCSQVGLSA-N 315.377 -0.191 30 20 DBED C#CCNC[C@H]1CN(C(=O)Cn2nc(C)n(C)c2=O)CC[C@@H]1C 1133288232 HUDWBNCIBGTICU-JSGCOSHPSA-N 319.409 -0.402 30 20 DBED CC#CCN[C@H](C)C[C@@H](C)NC(=O)CS(=O)(=O)CCOC 1134765085 VGCMBCXWJZKBQH-CHWSQXEVSA-N 318.439 -0.056 30 20 DBED N#CCNC(=O)CNCCNC(=O)[C@@H]1[C@H]2Cc3ccccc3[C@@H]21 1134896013 KCMSQGPRBLGWGI-CWRNSKLLSA-N 312.373 -0.082 30 20 DBED C#Cc1ccc(C(=O)NCCNCc2nc(=O)n(C)[nH]2)cn1 1148383134 USSCGRWZZDYGGP-UHFFFAOYSA-N 300.322 -0.996 30 20 DBED C#CCN1CCC2(C1)CN(C(=O)[C@@H](NC(=O)COC)C(C)C)C2 1148397341 WQKTWVGZRWWYKJ-HNNXBMFYSA-N 321.421 -0.059 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)[C@H]1CCN(C)C1 1151065849 NRIBDXUZOJPNLZ-AWEZNQCLSA-N 308.426 -0.156 30 20 DBED COCC#CCNCCNC(=O)[C@@H]1CCCN1C(=O)C(C)C 1151457842 VXWUGEDLQOYBQS-AWEZNQCLSA-N 309.410 -0.011 30 20 DBED N#Cc1cccc(CNCCCNC(=O)[C@@H]2CNC(=O)N2)c1 1165467745 PFACPNWWTHOFAP-ZDUSSCGKSA-N 301.350 -0.164 30 20 DBED C#Cc1ccc(C(=O)NCCCNCC(=O)NC(=O)NC)nc1 1171584918 CIRDZMFGVVJRFT-UHFFFAOYSA-N 317.349 -0.772 30 20 DBED C[C@H](CCCCNCC#N)NC(=O)CN1C(=O)C(=O)N(C)C1=O 1175558354 ZZBYXYPQLSSZOL-SNVBAGLBSA-N 323.353 -0.805 30 20 DBED COCC#CCNCCCC[C@H](C)NC(=O)CCn1cnnn1 1175862260 AZBSNXWLSJHHIO-AWEZNQCLSA-N 322.413 -0.022 30 20 DBED C#CCNC(=O)CNCCCNC(=O)CCN1CCCCC1 1176931279 YITSPSSMZNRSFF-UHFFFAOYSA-N 308.426 -0.292 30 20 DBED C#CCCCCC(=O)N1CC[C@@H]2OCCN(CC(N)=O)[C@@H]2C1 1176990086 YXKHMTDYWUAVBH-KGLIPLIRSA-N 307.394 -0.033 30 20 DBED COCC#CCN1CCO[C@H]2CCN(C(=O)c3ncc[nH]3)C[C@H]21 1177000554 QZGAEDODUZKERS-KGLIPLIRSA-N 318.377 -0.025 30 20 DBED C=CCOCCN[C@@H]1CCN(C(=O)[C@H](C)N2C(=O)CCC2=O)C1 1183033107 PPQCPNCEADEHQH-QWHCGFSZSA-N 323.393 -0.083 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 1183229515 LDGUVWCHLSMNLI-CYBMUJFWSA-N 306.410 -0.589 30 20 DBED C=CCOCCN[C@@H]1CCN(C(=O)CN2CCCNC2=O)C1 1183930221 DIHFRRUNIRCMKH-CYBMUJFWSA-N 310.398 -0.205 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)c2ccc(OC)nn2)C1 1186799907 TUGRBXPTRUSREW-GFCCVEGCSA-N 304.350 -0.061 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3ncc[nH]3)[C@@H]2C1 1187780484 XGNFJCSDWFGSHW-NWDGAFQWSA-N 301.350 -0.695 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)CCc2cnc[nH]2)C1 1193619136 GJUOMUUKAVFXTD-ZIAGYGMSSA-N 308.382 -0.294 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)c2cc(F)c[nH]2)C1 1194790538 ZQIMUSRFFASDMS-OASPWFOLSA-N 324.356 -0.381 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)CCCOC2CCOCC2)C1 1197666570 FDGKWIWDGGKIQO-HUUCEWRRSA-N 310.394 -0.243 30 20 DBED C=CCCCN1C[C@@H](O)[C@H](NC(=O)CS(=O)(=O)CCC)C1 1198755205 XVOBUAQFSLTYCL-CHWSQXEVSA-N 318.439 -0.061 30 20 DBED O=C(C#CC1CC1)N1CCCO[C@@H](CNCCOCCO)C1 1200453773 ZVGKYNLFTBSAEY-HNNXBMFYSA-N 310.394 -0.384 30 20 DBED C#CCOCCC(=O)N1CCC(NCc2nncn2C)CC1 1200513068 BICWAJUBTAAOAK-UHFFFAOYSA-N 305.382 -0.064 30 20 DBED COCCS(=O)(=O)CC(=O)N1CCC(NCC#N)CC1 1201293847 TUZBHPVZVOFZHW-UHFFFAOYSA-N 303.384 -0.848 30 20 DBED C#CCNC[C@H]1CN(C(=O)[C@@H]2CN(C(C)=O)CCO2)CCCO1 1201974569 FCRJHOZFONSMKF-GJZGRUSLSA-N 323.393 -0.926 30 20 DBED N#CCNC(=O)CN[C@H]1C[C@@H](NC(=O)c2cnn[nH]2)C12CCC2 1203116407 ZSNRYVAFNHKNME-WDEREUQCSA-N 317.353 -0.925 30 20 DBED C#CCN[C@@H]1C[C@@H](NC(=O)CS(=O)(=O)N(C)C)C12CCC2 1203671608 UFFPKNSRVVPAPJ-VXGBXAGGSA-N 313.423 -0.472 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)C#CC2CC2)[C@H](C)C1 1206952803 FWFSJWQXCCWPGA-VNHYZAJKSA-N 301.390 -0.026 30 20 DBED N#CCNC(=O)CN[C@H]1CCCN(C(=O)c2n[nH]cc2F)C1 1209504531 RWCPFCATCIEYHM-VIFPVBQESA-N 308.317 -0.617 30 20 DBED CCN(CC)S(=O)(=O)CC(=O)N1CCC[C@H](NCC#N)C1 1209906846 CLPCMEPIGVRHKY-LBPRGKRZSA-N 316.427 -0.238 30 20 DBED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)C(C)=C1CCC1 1212231336 VQDVHFHTWFJTAL-ZIAGYGMSSA-N 320.393 -0.058 30 20 DBED C=CCOCC(=O)N1C[C@@H](NCc2nc(=O)n(C)[nH]2)[C@H](C)C1 1214331725 ONTPODOSEVNAEW-GHMZBOCLSA-N 309.370 -0.753 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C 1214407659 WTOGDBAZAQVFMP-BXUZGUMPSA-N 313.361 -0.314 30 20 DBED CC[C@H](OC)C(=O)N1CCO[C@@H]2CN(CC#CCOC)C[C@@H]21 1217435159 MBVPWWDBWFOBDW-SOUVJXGZSA-N 310.394 -0.027 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CN(Cc2nc(C(C)(C)C)n[nH]2)C[C@@H]1O 1219379320 QZQWTZRQFHMHMH-AXFHLTTASA-N 320.397 -0.077 30 20 DBED CC(C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@@H]1O)=C1CCCC1 1219436721 LUEFCOUGIDEFMU-KGLIPLIRSA-N 320.393 -0.322 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(CC2CCCCC2)C[C@@H]1O 1219492497 NXSLVJQVIXACFH-CABCVRRESA-N 321.421 -0.133 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)Cc2n[nH]c(C)n2)C1 1219585947 YRVJKHZGAAQFFO-NEPJUHHUSA-N 309.370 -0.980 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2conc2C)C[C@@H]1O 1219604890 CCNSVDFLAGTSHN-BNOWGMLFSA-N 307.350 -0.317 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@H](C)CN2CCOCC2)C1 1220986192 VTVWWHNRDZFKEG-KFWWJZLASA-N 309.410 -0.861 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)CSCC#N)CC1 1226151971 ADZGPIDVBYBELU-UHFFFAOYSA-N 308.407 -0.427 30 20 DBED COCC(=O)N1CCC([C@H]2CCCN2CC(=O)NCC#N)CC1 1230479696 QRAAJCZMRZDQBP-CQSZACIVSA-N 322.409 -0.024 30 20 DBED C=CC[C@H](CC)NC(=O)C(=O)Nc1ccc(=O)n(CC(N)=O)c1 1261513220 NKDLTRPGCQBRAT-JTQLQIEISA-N 320.349 -0.257 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N[C@H]2C[C@H](C(=O)OC)C2)nn1 1261735180 XWRYPCQKTQOHJV-MGCOHNPYSA-N 321.337 -0.852 30 20 DBED C=CCn1c(C2=NNC(=O)C2)nnc1N(C)C[C@@H]1COCCO1 1262969513 JQVUXJSFQZYYMX-SNVBAGLBSA-N 320.353 -0.460 30 20 DBED CN1C[C@@H](NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1=O 1319336244 RDRSNAAZXSAWNX-LZTQFINJSA-N 321.337 -0.957 30 20 DBED C#CCOCCNC(=O)C(=O)NCc1ccc(O)c(OC)c1 1321500687 UEUPNGOJSFQOLC-UHFFFAOYSA-N 306.318 -0.217 30 20 DBED CN(C[C@H](O)C1CC1)C(=O)C(=O)NC1CCN(CC#N)CC1 1322624252 ZNILLJBYERATHN-ZDUSSCGKSA-N 308.382 -0.680 30 20 DBED C#CCOCCNC(=O)C(=O)N(C)Cc1nnc2ccccn12 1323697978 DXRUNAOOSIXKRZ-UHFFFAOYSA-N 315.333 -0.546 30 20 DBED N#CCNC(=O)CNC(=O)N1CCC(NC(=O)C2CC2)CC1 1323854624 PNTACLBLFFOCOH-UHFFFAOYSA-N 307.354 -0.674 30 20 DBED C=CC1CCN(C(=O)C(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)CC1 1325546961 LQGIESRZHAWZRI-NEPJUHHUSA-N 309.366 -0.440 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N(C)[C@@H]1CCSC1 1325695416 DOCXERRUHGABJT-SNVBAGLBSA-N 320.436 -0.333 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)C(=O)N2CCC3(CCOCC3)C2)C1 1326227504 NUGLKROQIZKUHP-MRXNPFEDSA-N 321.377 -0.107 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)N2C[C@H]3[C@H]4C=C[C@@H](O4)[C@H]3C2)C1 1326269825 XQZFWIAZINDKQR-FSPSUXSGSA-N 317.345 -0.725 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)C(=O)N2CC[C@H](N3CCCC3)C2)C1 1326533947 UHQOYUOROAYBPB-XJKSGUPXSA-N 320.393 -0.440 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N(CCO)CC(F)F)nn1 1326718415 JVIFVRNATZGCMT-UHFFFAOYSA-N 317.296 -0.834 30 20 DBED C[C@@H]1CN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)C[C@]1(C)CO 1327748897 OQBXPQFCJLXXFD-DFBGVHRSSA-N 309.366 -0.660 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)NCCNC(=O)C1CC1 1327856913 ZOKACSGWICYAEH-UHFFFAOYSA-N 309.366 -0.873 30 20 DBED CS(=O)(=O)c1ccc(=O)n(CC(=O)NC2(C#N)CCC2)c1 1328378593 CPNKONGDGZCUDR-UHFFFAOYSA-N 309.347 -0.186 30 20 DBED COCC#CC(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 1330372923 IXTYGMLAGBAVKE-LBPRGKRZSA-N 318.395 -0.759 30 20 DBED C=CCN(C(=O)C(=O)N1CC[C@H](CC(N)=O)C1)[C@H](C)COC 1333466487 DLIBUVOSNVDNRX-VXGBXAGGSA-N 311.382 -0.240 30 20 DBED C=C(C)Cn1c(C(N)=O)nnc1N1C[C@H]2CN(C(C)=O)C[C@H]2C1 1342977329 DPWIHNAKHNSTHH-TXEJJXNPSA-N 318.381 -0.132 30 20 DBED CN1CCC(N(C)C(=O)CCn2cc(C#N)c(O)nc2=O)CC1 1362011495 WXEXHRLTILKBSD-UHFFFAOYSA-N 319.365 -0.237 30 20 DBED COC(=O)[C@@H]1CCCN1C(=O)CCn1cc(C#N)c(O)nc1=O 1362745102 UOGCOWNAGWDIFC-JTQLQIEISA-N 320.305 -0.625 30 20 DBED N#Cc1cn(CC(=O)N2CC[C@H](C3OCCO3)C2)c(=O)nc1O 1362923113 VKTRLSJAZJAZBU-VIFPVBQESA-N 320.305 -0.958 30 20 DBED COc1ccc(NC(=O)CNS(=O)(=O)N(C)C)cc1C#N 1363273329 SLJLWFDMHPYBOQ-UHFFFAOYSA-N 312.351 -0.099 30 20 DBED N#CCC1(CS(=O)(=O)N(CC(N)=O)C2CCOCC2)CC1 1365730957 ZNWPTCVXCOFMMJ-UHFFFAOYSA-N 315.395 -0.024 30 20 DBED CCN(CCC#N)C(=O)CN1CC(NC(=O)c2cnc(C)[nH]2)C1 1377867040 DRNGTTQXOBMDNG-UHFFFAOYSA-N 318.381 -0.106 30 20 DBED CCS(=O)(=O)CC(=O)NC[C@@H](C)N(C)C(=O)[C@@H](C)C#N 1380767389 MEDLEBSLFNMKOJ-VHSXEESVSA-N 303.384 -0.456 30 20 DBED CN(C[C@H](O)CNC(=O)c1c[nH]c(C#N)c1)C(=O)c1cn[nH]c1 1382931420 LXQBJHCABNLVMU-GFCCVEGCSA-N 316.321 -0.528 30 20 DBED COC(=O)NCC(=O)N1C[C@H]2CCN(C(=O)[C@@H](C)C#N)C[C@H]21 1384268533 KFZIJSXPRASAOF-HBNTYKKESA-N 308.338 -0.439 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CC(=O)N(C)C1)NC(=O)c1cc(C#N)c[nH]1 1386308181 NEKCWUFABPGKJF-GXSJLCMTSA-N 317.349 -0.401 30 20 DBED C[C@H](CNC(=O)c1c[nH]c(C#N)c1)CNC(=O)[C@@H]1COCCO1 1388404495 NBIGKJBIGBUYPB-MFKMUULPSA-N 320.349 -0.216 30 20 DBED C=C(Cl)CN1CCN(CCNC(=O)[C@@H]2CCC(=O)N2)CC1 1389431634 XJUGIADSYADFIR-LBPRGKRZSA-N 314.817 -0.249 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@](C)(NC(=O)c1cn(C)nn1)C1CC1 1390830470 LFWRFEIYLXCPFT-LKFCYVNXSA-N 304.354 -0.011 30 20 DBED C[C@H](CN(C)C(=O)Cn1cncn1)NC(=O)c1ccc(C#N)[nH]1 1395682114 XGYKIZZRVOYFEQ-SNVBAGLBSA-N 315.337 -0.245 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C)C(=O)C(C)(C)N1CCOCC1 1408673767 GYDXUWHRRVIIAV-LBPRGKRZSA-N 310.398 -0.169 30 20 DBED Cc1cnc(C(=O)N(C)C[C@H](O)CNC(=O)[C@H](C)C#N)cn1 1413207596 PVQIBLQLHAXCLW-MWLCHTKSSA-N 305.338 -0.506 30 20 DBED C[C@@H](C#N)C(=O)N1CC(CNC(=O)[C@H](NC(N)=O)C(C)(C)C)C1 1416107451 LYSHRKDFGHCJMD-ONGXEEELSA-N 323.397 -0.196 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)CCCn1cccn1 1416766651 REYROXLETKPNEI-NEPJUHHUSA-N 307.354 -0.584 30 20 DBED Cc1nnc(N2CCO[C@H](C#N)C2)n1Cc1nnc2n1CCC2 1417474741 FWYPMEPCXSUFDX-LLVKDONJSA-N 314.353 -0.099 30 20 DBED C=C(Cl)CN1CC[C@@](O)(CNC(=O)CN2CCOCC2)C1 1423762799 WOKDWQWFBZYCRW-CQSZACIVSA-N 317.817 -0.376 30 20 DBED CCN(CCNC(=O)[C@H]1CCC(=O)N1)C(=O)c1cc(C#N)c[nH]1 1429542635 GLBLKINCQYTUOB-LLVKDONJSA-N 317.349 -0.257 30 20 DBED CO[C@H](C)CC(=O)NC[C@@H](O)CNC(=O)c1cc(C#N)c[nH]1 1431488644 FGUJJAXTXFKFDH-MWLCHTKSSA-N 308.338 -0.482 30 20 DBED C[C@@H](CNCc1ccc(C#N)cc1F)NC(=O)Cn1cnnn1 1439189323 SIQNGCACXOSXRA-JTQLQIEISA-N 317.328 -0.022 30 20 DBED N#Cc1ccc(CNC2(CNC(=O)Cn3ncnn3)CC2)cc1 1439603253 FPOPOMPZGVGSJD-UHFFFAOYSA-N 311.349 -0.017 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CN(C)C(=O)c1cnc2n1CCC2 1444680576 ULNROIWHHASXTG-QWRGUYRKSA-N 319.365 -0.462 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CN(C)C(=O)c1c[nH]nc1C1CC1 1444741441 OBHPFLMNEJQZMO-KOLCDFICSA-N 319.365 -0.004 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CN(C)C(=O)c1ccncc1F 1451839435 ZNUDIZIKRWAKJV-NXEZZACHSA-N 308.313 -0.071 30 20 DBED CC(=O)NCC(=O)NC[C@H](NC(=O)c1c[nH]c(C#N)c1)C(C)C 1451887224 UORDSGRMNXJSRM-ZDUSSCGKSA-N 319.365 -0.107 30 20 DBED CCNC(=O)NC(=O)[C@@H](C)N(CC)CCNC(=O)[C@H](C)C#N 1480967188 BPZLKTBYLWAGCQ-GHMZBOCLSA-N 311.386 -0.182 30 20 DBED C=C(Cl)CNC[C@@H](C)CNC(=O)[C@@H]1CCS(=O)(=O)N1 1482170043 HRDWGXBORJSQEC-SCZZXKLOSA-N 309.819 -0.228 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@@H](CNC(=O)[C@H]2CCC(=O)N2C)C1 1514918497 UGVCTHSCNHHKDC-NNYUYHANSA-N 306.366 -0.222 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC[C@H](NC(=O)CNC(=O)O)C1 1573311270 LADVOYWZLFREMG-MNOVXSKESA-N 311.338 -0.601 30 20 DBED C#CCN(CC(=O)O)C(=O)COCCNC(=O)c1ccccc1 1573318021 RRQWOYPKDVRZPE-UHFFFAOYSA-N 318.329 -0.021 30 20 DBED C[C@@H](C#N)C(=O)NCC1(N=c2cc[nH]c(-c3nn[nH]n3)n2)CC1 1573575927 BVIZHPMSBNPNAJ-QMMMGPOBSA-N 313.325 -0.701 30 20 DBED C=CCCC[C@@H](N)C(=O)NCCS(=O)(=O)N1CCOCC1 1574908019 AITSNOITPIPUNA-GFCCVEGCSA-N 319.427 -0.552 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2C[C@@H](N)C2(C)C)C1=O 1574935201 CCYHGULTCVGARA-RKDXNWHRSA-N 308.338 -0.795 30 20 DBED C[C@@]1(C#N)CN(C(=O)C2(S(C)(=O)=O)CCNCC2)CCO1 1576331057 UUXXPRDHUZKJPM-GFCCVEGCSA-N 315.395 -0.706 30 20 DBED C[C@@H]1CS(=O)(=O)CCCN1C(=O)N[C@H]1CNC[C@H]1C#N 1576860404 ITIMEPHHFHVZDS-MXWKQRLJSA-N 300.384 -0.683 30 20 DBED CO[C@@H]1COCC[C@H]1N(C)c1cnc(C#N)c(-c2nn[nH]n2)n1 1579618946 NMOQZTXUDPLDGM-NXEZZACHSA-N 316.325 -0.232 30 20 DBED CS(=O)(=O)C1(CNc2cnc(-c3nn[nH]n3)c(C#N)n2)CC1 1580155562 ZHGDXWAYGWNCHD-UHFFFAOYSA-N 320.338 -0.483 30 20 DBED N#CCCNC(=O)COC(=O)Cc1ccc(-c2nn[nH]n2)cc1 1592677934 JOZQOBOJVIEILU-UHFFFAOYSA-N 314.305 -0.018 30 20 DBED CC1(Cn2cc(C(=O)N(CC#N)CCC(=O)O)nn2)COC1 1594044266 YUHGCYMDTXJUFD-UHFFFAOYSA-N 307.310 -0.245 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CC1OCCO1)C(=O)O 1602755293 NPTIYCLOAZLDCO-QWRGUYRKSA-N 314.338 -0.210 30 20 DBED C=CCOC[C@@H](NC(=O)CC(=O)NCC(F)(F)F)C(=O)O 1602909755 GQVKVYCKCQHCFY-SSDOTTSWSA-N 312.244 -0.173 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]2C(=O)O)C1 1603700174 NRNMTZKDPVLBLN-GHMZBOCLSA-N 308.334 -0.944 30 20 DBED CCOC(=O)CON=C(C(=O)N[C@H](C)C(=O)O)c1cc[nH]n1 1603796489 IGOBDMCXSDFYLF-SSDOTTSWSA-N 312.282 -0.717 30 20 DBED N#C[C@@H]1CSCCN1S(=O)(=O)c1n[nH]cc1C(=O)O 1608179862 QCHUAJGOJAAGNW-ZCFIWIBFSA-N 302.337 -0.262 30 20 DBED N#CCCn1ccc(NS(=O)(=O)c2cnn(CC(=O)O)c2)n1 1610622277 UNYPMSMLSBOJGG-UHFFFAOYSA-N 324.322 -0.121 30 20 DBED N#Cc1cc(CN2CCOCC2)cn(CC(=O)N2CCC2)c1=O 1645810939 GGILABAULAKBKZ-UHFFFAOYSA-N 316.361 -0.216 30 20 DBED CN1CC(=O)N(CC(=O)NC[C@@H]2CCCCN2CC#N)C1=O 1752825278 OUJZDLJJLCWGEN-NSHDSACASA-N 307.354 -0.625 30 20 DBED C#CCN1CCC(C(=O)NCCN(CC)[C@H]2CCNC2=O)CC1 1753095352 VBGJANVWHMYRNH-HNNXBMFYSA-N 320.437 -0.342 30 20 DBED CC(C)Cn1ccc(C(=O)N(C)CCNCC(=O)NCC#N)n1 1753193194 KVKQSXFFRDCWGT-UHFFFAOYSA-N 320.397 -0.160 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@H]1CN(Cc2nncn2C)CCO1 1753650250 PJJAFKFKRVLGMA-DOMZBBRYSA-N 323.397 -0.541 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(NCC(=O)N2CCCC2)CC1 1754514194 ULUBIKZOVGZVET-CYBMUJFWSA-N 307.394 -0.115 30 20 DBED C#CCCN[C@]1(CO)CCCN(C(=O)C[C@H]2CCN(C)C2=O)C1 1755086250 QCDQWOHBPHMQLZ-RHSMWYFYSA-N 321.421 -0.179 30 20 DBED C#CCCN1C[C@H](NC(=O)CCn2ncn(C)c2=O)C(C)(C)C1 1755410539 UNQGTHHHLQDIAX-ZDUSSCGKSA-N 319.409 -0.178 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2cc(C)ncn2)[C@H]1C 1755650646 PDMRPNBBLWRMSG-QWHCGFSZSA-N 315.377 -0.273 30 20 DBED C#CCN(C)C[C@H](O)CN(C)C(=O)[C@@]1(CC(C)C)CCNC1=O 1755802161 QMDYNUVJUYGEPN-WMLDXEAASA-N 323.437 -0.077 30 20 DBED C#CCOCCC(=O)NC1CCC(N(C)C(=O)C(N)=O)CC1 1755983583 DOTMVSZKGRDEJT-UHFFFAOYSA-N 309.366 -0.603 30 20 DBED CC(C)C#CC(=O)N(C)C[C@H](C)NC(=O)CN1CC(=O)NC1=O 1756449995 VAJUWABFGMWNJN-NSHDSACASA-N 322.365 -0.839 30 20 DBED CN(C[C@H](O)CNC(=O)C#CC(C)(C)C)C(=O)C1(C(N)=O)CC1 1756675548 ANLQRWVVQDGTCW-LLVKDONJSA-N 323.393 -0.763 30 20 DBED C=CC(C)(C)C(=O)N(C)C[C@H](O)CN(C)C(=O)c1nnn(C)n1 1756687420 KFNDPQYSXVGFCK-SNVBAGLBSA-N 324.385 -0.686 30 20 DBED C=CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1nc[nH]n1)CCO2 1783912888 DRIWIQDCVHVZIT-AWEZNQCLSA-N 305.338 -0.176 30 20 DBED CC(C)(C)[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC#N 1795077340 DXBLKGJMSICVFV-ZMJPVWNMSA-N 323.393 -0.103 30 20 DBED C=CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]n1)C2 1800998137 ZPXDGLCTBSOTLA-PEGIJTEDSA-N 305.338 -0.416 30 20 DBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ncc[nH]1)CCO2 1833722245 GUSHQMJSIRZZLJ-HNNXBMFYSA-N 318.333 -0.887 30 20 DBED Cn1cnc(C(=O)N2CCCC23CN(C(=O)C2(C#N)CC2)C3)n1 1842353806 PNTWHLVSOXRDNO-UHFFFAOYSA-N 314.349 -0.064 30 20 DBED Cn1c(NCCCNc2ncccn2)c(C#N)c(=O)n(C)c1=O 53574360 HVRBYUGZUQAJAT-UHFFFAOYSA-N 315.337 -0.340 30 20 DBED CNC(=O)CO/N=C(\N)[C@@H]1CN(Cc2ccccc2)CCO1 181838472 OIEMWQUAMMOPIU-ZDUSSCGKSA-N 306.366 -0.078 30 20 DBED C/N=C(/NC[C@H]1CN2CCN1CC2)N1CCC(C(=O)OC)CC1 262741545 CIZPCLONVHDPIZ-AWEZNQCLSA-N 323.441 -0.553 30 20 DBED CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NC(CO)CO 267413837 RRIURAAEMGOPNX-UHFFFAOYSA-N 321.333 -0.247 30 20 DBED Cn1cc(C[C@@H](NS(=O)(=O)CC2(C#N)CC2)C(=O)O)cn1 275210899 HQQTULLVGJLGSF-SNVBAGLBSA-N 312.351 -0.361 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)[C@@H](C)NS(C)(=O)=O)C1=O 281773674 RBANJMAGAXTGIA-ZJUUUORDSA-N 303.384 -0.831 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1C[C@@H](C)O[C@@H](C(=O)OC)C1 282508184 RRUIPYLIHHAMKP-OUAUKWLOSA-N 313.354 -0.351 30 20 DBED COC(=O)C[C@H](NS(=O)(=O)c1ccc(C#N)o1)C(=O)O 287096809 DIBFNKDTDUXSEU-ZETCQYMHSA-N 302.264 -0.554 30 20 DBED N#Cc1cncc(S(=O)(=O)NC[C@H]2CN3CCN2CC3)c1 289567057 VLMHGPVBZQNTTQ-LBPRGKRZSA-N 307.379 -0.769 30 20 DBED C[C@@H](O)CN(C)C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 291069099 REOXOGAGBUWDGG-SNVBAGLBSA-N 311.363 -0.324 30 20 DBED O=S1(=O)CCC[C@@H]1C/N=C(/O)[C@@H]1CN2CCCN1CC2 329030928 PPJAYTZUBBWQJQ-NEPJUHHUSA-N 301.412 -0.090 30 20 DBED CN1CCN(C(=O)CC/N=C(/O)N[C@@H]2CC[S@@](=O)C2)CC1 330001519 YBVHKGBPBXKXQC-WSVYEEACSA-N 316.427 -0.825 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N1CCS(=O)(=O)C[C@@H](C)C1 332061424 YVDGDCAXJQELNB-MNOVXSKESA-N 323.440 -0.311 30 20 DBED CN1[C@H]2CC[C@H]1CN(S(=O)(=O)N1CCO[C@H](C#N)C1)CC2 337086411 FBWVARWVGGGLPX-RWMBFGLXSA-N 314.411 -0.376 30 20 DBED COc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H](O)CN(C)C 352936615 OJGRLXZXCHWPNG-LLVKDONJSA-N 320.349 -0.456 30 20 DBED C=CCNC(=O)NC(=O)CN(C)[C@H](C)[C@@H](C)S(C)(=O)=O 354565515 ZWYXNXMHBOSQHL-NXEZZACHSA-N 305.400 -0.248 30 20 DBED CC(C)OC[C@@H]1CN(C(=O)NCCn2cnc(C#N)n2)CCO1 367867716 TZYXFYRBSGFKHK-LBPRGKRZSA-N 322.369 -0.015 30 20 DBED CC(C)[C@H]1C(=O)NCCN1S(=O)(=O)N(C)C[C@@H](C)C#N 407956420 LUSVFBATDOGNMV-QWRGUYRKSA-N 302.400 -0.221 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N1C[C@@H](CO)OC(C)(C)C1 420742565 HMOCKILQSSNJBH-MNOVXSKESA-N 305.400 -0.206 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CC[C@H](C#N)C2)C1=O 424964398 ARLXSMRVKCGZNZ-VHSXEESVSA-N 304.306 -0.228 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H]1CCC(=O)N(C)C1=O 425225936 PXSCLIPPVWSTEK-NXEZZACHSA-N 316.383 -0.550 30 20 DBED C=C[C@@H]1OCC[C@H]1NC(=O)NCCNS(=O)(=O)NC(C)C 454876649 WKMUWFNICDAMFO-MNOVXSKESA-N 320.415 -0.539 30 20 DBED COC(=O)CN(CC#N)C(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 487047607 RPBZGYNLMQBJNL-VIFPVBQESA-N 305.294 -0.712 30 20 DBED C#CCN1CCN(C(=O)CN(C)[C@@H](C)C(=O)NC(C)(C)C)CC1 491021703 NDDCYWDTKOJKCD-AWEZNQCLSA-N 322.453 -0.001 30 20 DBED C#CCNC(=O)NC[C@H](NS(=O)(=O)N(C)C)C1CCCC1 491702618 RPBRHTQXOCPRHK-LBPRGKRZSA-N 316.427 -0.126 30 20 DBED C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 567917587 WFRMTRBQABBRFR-RVMXOQNASA-N 308.382 -0.469 30 20 DBED CCCCn1nnnc1CN(CC#N)S(=O)(=O)N(C)C 584022211 CKKSKLSGMOIOFQ-UHFFFAOYSA-N 301.376 -0.395 30 20 DBED CN(CCC#N)S(=O)(=O)N1CC(C)(C)OC[C@H]1C(=O)O 590899046 MTAPXPMQJOVBRC-VIFPVBQESA-N 305.356 -0.359 30 20 DBED C[C@H](C(=O)N1CCN(CC#N)CC1)n1cnc2c(N)ncnc21 597274098 NEWBDVMNTWLTHE-SNVBAGLBSA-N 314.353 -0.363 30 20 DBED CCN(CC(C)(C)O)C(=O)C(=O)N1CCN(CCC#N)CC1 601459374 QGVJTMMWWXQUNA-UHFFFAOYSA-N 310.398 -0.336 30 20 DBED C[C@]1(O)CCCN(C(=O)C(=O)N2CCN(CCC#N)CC2)C1 601464465 OKXULHJMEMWJCX-HNNXBMFYSA-N 308.382 -0.582 30 20 DBED CCCCOCCNC(=O)C(=O)N1CCN(CCC#N)CC1 602235158 FQQAMHOIEBYDBP-UHFFFAOYSA-N 310.398 -0.023 30 20 DBED CC(C)N[C@H]1CCCN(c2c(C#N)c(=O)n(C)c(=O)n2C)C1 604539757 GUJKGAIRNQTESV-NSHDSACASA-N 305.382 -0.078 30 20 DBED CS(=O)(=O)N1CCCC[C@H]1C(=O)N1CCO[C@@H](C#N)C1 609269299 RALQXPAJLORUNV-QWRGUYRKSA-N 301.368 -0.449 30 20 DBED C=CCNC(=O)CN1CCC[C@H]1CNC(=O)c1cnn(C)c1 639975898 HMQMEMBBCNPGJR-ZDUSSCGKSA-N 305.382 -0.084 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC[C@@H]2CCCCN2)C1=O 642905603 QBNOMFRQYBLZQZ-QWHCGFSZSA-N 322.409 -0.510 30 20 DBED C=CCn1cc(C(=O)N2CCN(C(=O)CN(C)C)CC2)nn1 648731362 SEROBWQIQKQYHK-UHFFFAOYSA-N 306.370 -0.690 30 20 DBED C=CC[C@H](NS(=O)(=O)c1cccc(-n2cnnn2)c1)C(=O)O 681557480 AZYYLYQIJSRVHE-NSHDSACASA-N 323.334 -0.030 30 20 DBED CS(=O)(=O)N1CCC[C@@H](NC(=O)[C@@H](N)CCCC#N)C1 691561331 QQOAVVVOIYIUHX-MNOVXSKESA-N 302.400 -0.452 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCN(CC(=O)NC(C)C)CC1 730272082 ICTHIECTWWBTGJ-HNNXBMFYSA-N 320.437 -0.247 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccc(C(N)=O)cn1 748894340 STSUFTBGZWIDBL-MRVPVSSYSA-N 320.305 -0.262 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)CCOC)c1=O 761859220 CNNWVPLZUMXRCC-UHFFFAOYSA-N 309.322 -0.851 30 20 DBED C#CCOCCNC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 784606096 GLHDCWDYLNBXSK-AUZPSNTRSA-N 302.330 -0.441 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)NCCNC(=O)c1ccco1 800002221 DOHZNIWLNUBLID-JTQLQIEISA-N 314.367 -0.065 30 20 DBED C[C@@H](OC(=O)c1c[nH]c(C#N)c1)C(=O)NCCN1CCOCC1 805968957 JJAKBEXVUJQMIM-LLVKDONJSA-N 320.349 -0.120 30 20 DBED Cc1nn(C)c(N2CCOCC2)c1C=Nn1c(O)nnc1O 814234377 WZXKHSDFIUBJPN-UHFFFAOYSA-N 307.314 -0.550 30 20 DBED CC(=NNCCCO)c1ccc(S(=O)(=O)CC(N)=O)cc1 814839508 PZBJBCNTXADQGH-UHFFFAOYSA-N 313.379 -0.358 30 20 DBED C[C@H](C(=O)N(C)CC(=O)[C@@H](C#N)C(=O)NC1CC1)n1cccn1 815908769 IOZMRMOIQMKZJW-ZYHUDNBSSA-N 317.349 -0.110 30 20 DBED O=C(O)CNC(=O)CON=CC(=O)Nc1cccc([N+](=O)[O-])c1 821531940 DWMYANMFUWKEOI-UHFFFAOYSA-N 324.249 -0.264 30 20 DBED C#CCCN1CCN(C(=O)[C@H](C)NS(=O)(=O)CC)CC1 825078099 SZPIEYLBWBFFHY-LBPRGKRZSA-N 301.412 -0.518 30 20 DBED C#CCCS(=O)(=O)N1CCN(C(COC)COC)CC1 841554344 MKKOHNQWMZHPQP-UHFFFAOYSA-N 304.412 -0.382 30 20 DBED C#CCC[C@H](O)CNS(=O)(=O)c1ccc2[nH]c(=O)cnc2c1 849390903 CVWJDUBJUARQGQ-JTQLQIEISA-N 321.358 -0.024 30 20 DBED C#CCONC(=O)[C@H]1CC(=O)N(c2cnn(CCOC)c2)C1 855606651 MOMIKONIGGZONS-NSHDSACASA-N 306.322 -0.437 30 20 DBED CC(C)(O)[C@H]1CCCN(S(=O)(=O)N2CCO[C@H](C#N)C2)C1 872539851 WQCPVNOSSHMKCN-NWDGAFQWSA-N 317.411 -0.062 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N(C)Cc1cnccn1 875598818 LMYYNPKVBGVONH-GFCCVEGCSA-N 304.350 -0.020 30 20 DBED C#CCN1CCC[C@H](NC(=O)CN(C)CC(=O)NC(C)C)C1 923584094 RMGYWEUATZWCLX-AWEZNQCLSA-N 308.426 -0.343 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2CCN2C)C1=O 931886255 SVJZCYWBVUVZCU-RYUDHWBXSA-N 308.382 -0.948 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](N(C)C(=O)CN2CCOCC2)C1 939397470 OXOSQWGKLRNUIX-OLZOCXBDSA-N 308.382 -0.462 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2CN(C(=O)CC)CCO2)nn1 944601097 XHUBKHVDFRWROH-NSHDSACASA-N 307.354 -0.169 30 20 DBED C#CCN1CC[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C[C@H]1C 947369231 IOMLSSHKDMTMER-CHWSQXEVSA-N 318.377 -0.851 30 20 DBED C#CCN1C[C@H](CNC(=O)c2cccc(C(N)=O)c2)[C@@H](O)C1 958190494 HXDPNDBBETZWSU-KBPBESRZSA-N 301.346 -0.559 30 20 DBED CN(C)C(=O)CN1C[C@H]2[C@H](NC(=O)c3ccc(C#N)[nH]3)[C@H]2C1 958589688 FILYTBQZBFLCDP-YABSGUDNSA-N 301.350 -0.365 30 20 DBED C=CCN1C[C@H]2C(NC(=O)[C@H]3CCc4nnc(O)n4C3)[C@@H]2C1 960654057 KUMLWJIJOFAMPM-HBNTYKKESA-N 303.366 -0.222 30 20 DBED C#Cc1cncc(C(=O)N2C[C@H]3CN(C(=O)C(N)=O)C[C@H]3C2)c1 962250098 GVQUKWAGOMECCW-BETUJISGSA-N 312.329 -0.921 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CN(C(=O)CC(C)C)C[C@@H]2O)nn1 963303833 YCLBSVLTIQRZGH-YPMHNXCESA-N 321.381 -0.188 30 20 DBED C[C@H](C#N)C(=O)N1CC2(C[C@H](NC(=O)Cc3ccon3)CO2)C1 965668319 ULNSVUPDQRVMJE-PWSUYJOCSA-N 318.333 -0.137 30 20 DBED O=C1N[C@@H](C(=O)N2C[C@@H]3CC[C@H](C2)N3C(=O)C#CC2CC2)CO1 968991225 GXNQQEABUKUIOU-FRRDWIJNSA-N 317.345 -0.290 30 20 DBED C#CCN1CCCCC[C@H]1CNC(=O)[C@@H]1CC(=O)NC(=O)N1 969054586 UTBZCXCXKDPMPC-RYUDHWBXSA-N 306.366 -0.422 30 20 DBED C#CCN1CC([C@@H](C)NC(=O)c2cn([C@H]3CCOC3)nn2)C1 970712604 ZEJYPYPHBDADJI-YPMHNXCESA-N 303.366 -0.077 30 20 DBED O=C1N[C@H](C(=O)N2C[C@H]3CCN(C(=O)C#CC4CC4)C[C@H]32)CO1 971995152 QCVXVMBSBJQCLV-FRRDWIJNSA-N 317.345 -0.433 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@]2(CN(Cc3nnn(C)n3)CCO2)C1 972298106 QHCZCCOAKJKSPI-BXUZGUMPSA-N 319.369 -0.827 30 20 DBED Cn1nnc(C(=O)N[C@H]2C[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)n1 973995057 NRSKZGMODHAYHV-DTORHVGOSA-N 314.309 -0.899 30 20 DBED C#CCN[C@@H]1C[C@H](C)N(C(=O)CN2C(=O)NC(=O)C2(C)C)C1 989647237 UGHWWUBUUSSOFR-WDEREUQCSA-N 306.366 -0.471 30 20 DBED Cc1nn(CC(=O)N[C@@]23CCC[C@H]2N(CC#N)CC3)c(=O)n1C 992446512 COIOEJOWZYEXOR-IUODEOHRSA-N 318.381 -0.473 30 20 DBED C#CCCN1CCC[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)[C@@H]1C 994326836 JLCQJWYYMSPHMU-GXTWGEPZSA-N 319.409 -0.117 30 20 DBED C#CCN1CCC[C@@H](NC(=O)c2nccnc2C(N)=O)[C@@H]1C 994380269 WOSJNYHALWTMIE-WDEREUQCSA-N 301.350 -0.209 30 20 DBED C=CCn1cc(C(=O)N2C[C@@H](N[C@H](C)C(N)=O)C(C)(C)C2)nn1 996388956 LOLPSZOJNYVKIJ-ZYHUDNBSSA-N 320.397 -0.222 30 20 DBED N#CCNC1CCN(C(=O)c2cn([C@@H]3CCOC3)nn2)CC1 997167649 VSCJWZIWIQEBKT-GFCCVEGCSA-N 304.354 -0.043 30 20 DBED CC(=O)N1CC[C@@](C)(C(=O)NC2CN(C(=O)[C@H](C)C#N)C2)C1 999701160 FGCAGBRVELKALK-MEBBXXQBSA-N 306.366 -0.268 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCN(C(=O)CC(N)=O)[C@H]2C)nn1 1011586968 XOWKSEYIAKSOMG-UWVGGRQHSA-N 320.353 -0.941 30 20 DBED C[C@H]1[C@@H](NC(=O)c2nnn(C)n2)CCCN1C(=O)C#CC1CC1 1015124074 CBWUDSNYESYROE-JQWIXIFHSA-N 316.365 -0.267 30 20 DBED CCn1ccc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2O)n1 1023688213 YYZIULFKRTXLAE-YUSALJHKSA-N 305.338 -0.636 30 20 DBED Cc1nnccc1C(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1O 1024863771 GMYPNOJBGUPYIM-XXILOJSOSA-N 303.322 -0.754 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)c3cncnc3O)C2)C1=O 1030498423 WTTXOCTXIRDBBE-LBPRGKRZSA-N 317.349 -0.617 30 20 DBED CC#CCN1CCO[C@@H](CNC(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1 1035374018 WUWSRGGNOTZXPJ-HZSPNIEDSA-N 307.394 -0.259 30 20 DBED C#CCN1CCO[C@H](CNC(=O)c2ccnc3[nH]nnc23)C1 1035440569 PYNDGACXPDFXDD-SNVBAGLBSA-N 300.322 -0.583 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)[C@@H]2C[C@H]2c2cncn2C)C1 1035518195 LFZYOROPHJATSR-BFHYXJOUSA-N 302.378 -0.026 30 20 DBED CNC(=O)c1cccc(C(=O)NC[C@H]2CN(CC#N)CCO2)n1 1035592058 FVWZKCOXTKAWJB-NSHDSACASA-N 317.349 -0.605 30 20 DBED C=CCCN1CC[C@H]2CN(C(=O)CN3CCNC(=O)C3)CC[C@@H]21 1036792304 NJXJGYVUCRKZBU-GJZGRUSLSA-N 320.437 -0.083 30 20 DBED C#CCCN1CC[C@H]2CN(C(=O)CN3CCNC(=O)C3)CC[C@@H]21 1036792336 NXJIIDTWDXMERT-GJZGRUSLSA-N 318.421 -0.636 30 20 DBED C#CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)c1ccc(S(N)(=O)=O)o1 1037488164 FVZZCOIOUOGLRK-PTRXPTGYSA-N 309.347 -0.637 30 20 DBED C#CCCN1C[C@H]2C[C@H]1[C@H]2NC(=O)c1cnc(O)n(C)c1=O 1037542311 MXZLDLKSSGEBRT-USWWRNFRSA-N 302.334 -0.688 30 20 DBED C=CCCN1C[C@H]2C[C@H]1[C@H]2NC(=O)c1nccnc1C(N)=O 1037722796 PTLFLFXGTVNUTP-VWYCJHECSA-N 301.350 -0.046 30 20 DBED Cn1nnc(CN2CC[C@@H]2CNC(=O)c2ccc(C#N)[nH]2)n1 1038168528 LJLSGDKDTYNKMH-SNVBAGLBSA-N 300.326 -0.586 30 20 DBED CC(C)C#CC(=O)N1CC[C@@](O)(CNC(=O)c2ncc[nH]2)C1 1039659790 HXERVNUTDUKPQN-OAHLLOKOSA-N 304.350 -0.238 30 20 DBED CC(C)C#CC(=O)NC[C@@]1(O)CCN(C(=O)c2cn[nH]c2)C1 1039664662 VIGNWPPKLHYGCA-HNNXBMFYSA-N 304.350 -0.238 30 20 DBED O=C(C#CC1CC1)NC[C@@]1(O)CCN(C(=O)[C@@H]2CCCO2)C1 1039677168 DXZWEAZEBWQEPQ-BBRMVZONSA-N 306.362 -0.342 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@]1(O)CCN(C(=O)C#CC(C)C)C1 1039721368 KJSPKLWCPFJZLF-PBHICJAKSA-N 320.389 -0.236 30 20 DBED Cc1nccn1CC(=O)N1CC[C@](O)(CNC(=O)[C@@H](C)C#N)C1 1040765386 IFOBZUXYSMKFOP-NHYWBVRUSA-N 319.365 -0.569 30 20 DBED N#CCN1CCC2(CC1)CCN(C(=O)C1CC(=O)NC(=O)C1)C2 1040882439 DAQWVCYQJCXSGU-UHFFFAOYSA-N 318.377 -0.123 30 20 DBED COC1CC(C(=O)N[C@@H]2CN(c3ccc(C#N)nn3)C[C@H]2O)C1 1041211895 FAAZRRWQDXODJH-VYKQGROPSA-N 317.349 -0.561 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)c2cccn2C)C1 1041500534 GWLSVRUASQJNBO-UHFFFAOYSA-N 303.362 -0.012 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(O)CN(C(=O)CSC)C1 1042810456 XHWFMKGOJQVNIY-GFCCVEGCSA-N 302.396 -0.634 30 20 DBED CC#CCN1CC(N(C)C(=O)[C@H]2CC(=O)N(CCOC)C2)C1 1042834995 JQNTYVHKKGIFAE-ZDUSSCGKSA-N 307.394 -0.353 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)c2cnnc(O)c2)C1 1042941965 VXBVMTSRZFUSQZ-UHFFFAOYSA-N 318.333 -0.855 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)CN(C)C(C)C)C1 1042942740 BTSISFJBAJMPFS-UHFFFAOYSA-N 309.410 -0.325 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)c3ccncn3)C2)cn1 1044117432 HDNFGHHQFNCLHT-KGLIPLIRSA-N 310.317 -0.277 30 20 DBED CCn1cc(C(=O)N2CC(O)(CNC(=O)[C@@H](C)C#N)C2)cn1 1045540221 FEDCWORBROOINW-JTQLQIEISA-N 305.338 -0.634 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)[C@H]2CN3CCC2CC3)C1 1045551549 JMBWLJHWVMVYLV-AAEUAGOBSA-N 320.393 -0.823 30 20 DBED C=C(C)CN1CC[C@@H](N2CCN(C(=O)[C@H]3CNC(=O)N3)CC2)C1 1046059117 ZJBKUCAVMDXTFH-ZIAGYGMSSA-N 321.425 -0.538 30 20 DBED N#Cc1cc(C(=O)N2CC(O)(CNC(=O)C3(CF)CC3)C2)c[nH]1 1046359838 VVUCSAPRDQDPNH-UHFFFAOYSA-N 320.324 -0.061 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(CCN(C)C)c2)C1 1047558804 HRVLLDRXRAXQOQ-GJZGRUSLSA-N 319.409 -0.805 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C(N)=O)c[nH]2)C1 1047576362 HTUKJWVLSOJSJF-STQMWFEESA-N 304.350 -0.746 30 20 DBED CN(C(=O)[C@@H]1CCc2c[nH]nc2C1)[C@H]1CN(CC#N)C[C@@H]1O 1047634974 QZARGLNFBYZUSY-SWHYSGLUSA-N 303.366 -0.458 30 20 DBED CC#CCN1C[C@@H]2CCCN(C(=O)C[C@@H]3NC(=O)NC3=O)[C@@H]2C1 1050066716 JLZICVPSXRELGR-RWMBFGLXSA-N 318.377 -0.469 30 20 DBED C=CCOCC(=O)N[C@H](C)[C@H]1CCN(C(=O)Cn2ncnn2)C1 1050808188 KBVXWMZUYNZREB-NEPJUHHUSA-N 322.369 -0.771 30 20 DBED C=CCCN1CCOC[C@@H]1CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 1051118094 MTMUTYMLIKUADM-RWMBFGLXSA-N 311.382 -0.588 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)[C@@H]1CCc2nnc(C)n2C1 1051256733 AAUYBLLNHJPWNJ-KGLIPLIRSA-N 317.393 -0.401 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)c3cn(C)ccc3=O)CO2)C1 1053867666 PHIFCMWWVOCZIR-ZDUSSCGKSA-N 315.373 -0.018 30 20 DBED COc1c(C(=O)N[C@H]2COC3(C2)CN(CC#N)C3)cnn1C 1053994960 QOLXXPPLNADMLI-SNVBAGLBSA-N 305.338 -0.475 30 20 DBED CCN(CC)CC(=O)N[C@@]1(CO)CCCN(C(=O)[C@@H](C)C#N)C1 1055957083 YGJQAUVPSUHYHK-BBRMVZONSA-N 324.425 -0.042 30 20 DBED N#Cc1cnc(N2CCN(C(=O)[C@H]3CC[C@H]3C(N)=O)CC2)cn1 1055969981 FAIIDNZOSRRONA-NEPJUHHUSA-N 314.349 -0.492 30 20 DBED N#Cc1cnccc1N1C[C@@H]2C(NC(=O)Cn3cncn3)[C@H]2C1 1056215488 FHQHFTUQTBHTGB-RYUDHWBXSA-N 309.333 -0.204 30 20 DBED C=CCCCC(=O)NCCN(CCO)C(=O)[C@@H](C)NC(C)=O 1056887474 OTSQXKUJIMOJBN-GFCCVEGCSA-N 313.398 -0.196 30 20 DBED Cc1ncncc1C(=O)NCCN(CCO)C(=O)C#CC(C)C 1057516944 DNGSNDLBZZPESG-UHFFFAOYSA-N 318.377 -0.005 30 20 DBED CC(C)(C)C#CC(=O)N(CCO)CCNC(=O)Cn1ccnc1 1057540236 MBBSPNLZCFXBSI-UHFFFAOYSA-N 320.393 -0.130 30 20 DBED N#Cc1nccc(N2CCC[C@@H](NC(=O)Cn3cnnn3)C2)n1 1058118775 PGDLSAIRCOIYOR-SNVBAGLBSA-N 313.325 -0.880 30 20 DBED C=C[C@@H](C)[C@H](C)C(=O)N(CCO)CCNC(=O)Cn1cnnn1 1058433111 JMYMQDHWZIVNJZ-NEPJUHHUSA-N 324.385 -0.932 30 20 DBED N#Cc1ccc(N[C@H]2C[C@H](NC(=O)[C@@H]3CCNC3=O)C2)nn1 1059364856 NBNRLHQLPJTEPK-GMTAPVOTSA-N 300.322 -0.457 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@@H](CCNC(=O)CC(N)=O)C1 1059645761 ICCJSDRXGMSRPU-NWDGAFQWSA-N 309.366 -0.745 30 20 DBED Cc1cc(=N[C@@H]2CC[C@H]3CN(C(=O)C(N)=O)C[C@@H]32)c(C#N)c[nH]1 1060553439 PWVPAFVJDJWYOO-WCFLWFBJSA-N 313.361 -0.182 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)Cc1cc[nH]n1 1061458913 TXAVPVYXWJIXSC-PWSUYJOCSA-N 305.338 -0.545 30 20 DBED CC(C)C#CC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1[C@H]2COC[C@H]21 1061568754 QBORPGXLQWERDU-TTZDDIAXSA-N 320.389 -0.118 30 20 DBED O=C(C#CC1CC1)NC[C@H]1COCCN1C(=O)c1cnsn1 1061569220 AIRHVCHNMIBYHC-NSHDSACASA-N 320.374 -0.091 30 20 DBED Cc1ccnn1CC(=O)NC[C@@H]1COCCN1C(=O)[C@@H](C)C#N 1061592061 MMOLZBLHRKFCFV-WCQYABFASA-N 319.365 -0.305 30 20 DBED C=CC(C)(C)C(=O)NC[C@@H]1COCCN1C(=O)Cn1cnnn1 1061751693 AIPJMXYYFUXFLO-LLVKDONJSA-N 322.369 -0.771 30 20 DBED CS(=O)(=O)CC(=O)NC1(CNC(=O)C#CC2CC2)CCC1 1062974002 JIJWLVWJYFKCDB-UHFFFAOYSA-N 312.391 -0.401 30 20 DBED N#Cc1nc(=NC[C@@H]2CCC[C@H]2NC(=O)c2nc[nH]n2)cc[nH]1 1064105611 HQDWOWZSHDJDMN-VHSXEESVSA-N 312.337 -0.101 30 20 DBED C=CCCC(=O)N1CCO[C@@H](CNC(=O)[C@H]2CCC(=O)N2C)C1 1064959079 GNDOVQYTSROPAL-QWHCGFSZSA-N 323.393 -0.083 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)[C@@H]2CCNC(=O)C2)CCO1 1065041297 UXYBKQZVZCCRHC-OLZOCXBDSA-N 323.393 -0.178 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)[C@H](C)CC(N)=O)CCO1 1065422161 XJWJEXODQLHQQL-OLZOCXBDSA-N 323.393 -0.499 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)COCC(F)F)C1 1065559635 GDPXQZCLGWOYAF-UWVGGRQHSA-N 319.308 -0.229 30 20 DBED C=C[C@@](C)(O)CC(=O)N(C)CCCN(C)C(=O)Cn1ncnn1 1067292739 WKRQVRKLIIJESY-CQSZACIVSA-N 324.385 -0.693 30 20 DBED N#Cc1nccc(N2C[C@H]3C(CNC(=O)c4cnon4)[C@@H]3C2)n1 1068180348 HNRXUQPIONYENQ-UWVGGRQHSA-N 311.305 -0.157 30 20 DBED N#Cc1ccc(NC[C@H]2C[C@H](NC(=O)Cn3ncnn3)C2)nn1 1068531255 YPUPHNMNIRVEFI-HOMQSWHASA-N 313.325 -0.658 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2cnnc(O)c2)C1 1069951445 ONUNNWATJAEXPB-NEPJUHHUSA-N 315.337 -0.385 30 20 DBED Cc1n[nH]c(C)c1C(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1 1070055623 HKGYVTBTPNRWMA-NEPJUHHUSA-N 314.353 -0.203 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@H]2CCOC2)C[C@H]1c1cn(C)cn1 1070474738 JRRJCQJQBFEMNR-KCQAQPDRSA-N 302.378 -0.026 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CCCN(C(=O)c2ncn(C)n2)C1 1070688964 FZVTYXKGKXGHOD-IAQYHMDHSA-N 321.381 -0.137 30 20 DBED N#CCN1CCNC(=O)CCN(C(=O)CC2CCOCC2)CC1 1070947235 NEBJAWJBIZVHPA-UHFFFAOYSA-N 322.409 -0.023 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)c2c(C)ncn2C)CC1 1070971749 PMQHRALCLBKMQY-UHFFFAOYSA-N 317.393 -0.374 30 20 DBED C[C@@H]1OCC[C@]1(C)C(=O)N1CCC(=O)NCCN(CC#N)CC1 1070983708 BLBUKLNWXMTIKX-BBRMVZONSA-N 322.409 -0.024 30 20 DBED C#CCN[C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCNC2=O)CC1 1071076828 IZFOETDGZIITAH-ZNMIVQPWSA-N 319.405 -0.259 30 20 DBED C#CCN1CC[C@@]2(C1)CN(C(=O)CN1CCOCC1)C[C@H](C)O2 1071157447 YWPTXXBYGKTWDM-DOTOQJQBSA-N 321.421 -0.356 30 20 DBED CC#CCN1C[C@H](NC(=O)Cn2ccc(O)nc2=O)CC[C@H]1C 1071657641 AYHCYOXLECIZPS-CHWSQXEVSA-N 318.377 -0.059 30 20 DBED CC#CCN1CCO[C@@H]2CCN(C(=O)c3cnnn3C)C[C@@H]21 1074232461 ABCALNDVJZRIOU-UONOGXRCSA-N 303.366 -0.246 30 20 DBED Cc1nc(O)[nH]c1C(=O)N1CC[C@H]2OCCN(CC#N)[C@H]2C1 1074271737 QYKKECVPOMTIRD-WDEREUQCSA-N 305.338 -0.137 30 20 DBED C=CCCC(=O)NCC1(O)CCN(C(=O)[C@H]2CNC(=O)N2)CC1 1074698068 KAGROKOITKLSLW-LLVKDONJSA-N 324.381 -0.896 30 20 DBED COCCn1cc(C(=O)N[C@@H]2CN(CC#N)C[C@H]2O)c(C)n1 1076990879 PJSKQAFGTAMWMU-CHWSQXEVSA-N 307.354 -0.864 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)c2cn(C)nc2OC)C1 1077502817 KZQMPRIVFDIYLE-GHMZBOCLSA-N 314.773 -0.044 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN(CC(F)F)C2)C1 1077583650 GGCWNQYTANQAFU-JHJVBQTASA-N 315.364 -0.242 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@H](C2CC2)N2CCOCC2)C1 1078213889 GZSWIJBSXMEESV-OAGGEKHMSA-N 321.421 -0.718 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)CC(N)=O)[C@@H]1COC[C@@H]12 1079229535 FKVOYWRHKQYCRG-QWHCGFSZSA-N 305.378 -0.566 30 20 DBED C=CCOCC(=O)N1CC(N(CC)C(=O)CN(C)C(C)=O)C1 1079343600 NJMJTFOIOFLEBL-UHFFFAOYSA-N 311.382 -0.273 30 20 DBED CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)Cn2cnnc2O)C1 1080411786 UFCSWILXJUTBET-SECBINFHSA-N 306.326 -0.797 30 20 DBED C=CCCN1C[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)[C@H](C)C1 1080907771 FQYIMVXQVPQFFX-VXGBXAGGSA-N 308.382 -0.107 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CO)(NC(=O)[C@@H]2[C@H]3COC[C@H]32)CC1 1080953397 JJZWMAWOWOTBCX-NDBYEHHHSA-N 321.377 -0.492 30 20 DBED COCCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C#CC2CC2)C1 1081468087 FNDSJMNKEBMEBN-UONOGXRCSA-N 308.378 -0.238 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1COCCN1C 1083056186 DEKSQSNYOHXKST-SOUVJXGZSA-N 307.394 -0.748 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)c2nc3ncc(C)cn3n2)C1 1083554862 ZXPDJRGOEHTIJM-NEPJUHHUSA-N 316.365 -0.216 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)c2cn(C)nc2COC)C1 1083582004 STPRYJWPVKRKJZ-OCCSQVGLSA-N 308.382 -0.083 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCc3cnc(C)n3C2)C1 1083731664 IXQHTUYJBFTCBG-IMJJTQAJSA-N 316.405 -0.061 30 20 DBED C[C@@H](C[C@@H](C)N=c1cc[nH]c(C#N)n1)NC(=O)c1cnn[nH]1 1089509637 VIEHFFFWEKYGAS-BDAKNGLRSA-N 300.326 -0.103 30 20 DBED C#CCN1C[C@@H]2[C@@H]3CC[C@@H](CN3C(=O)Cn3ncnn3)[C@H]2C1 1089814139 DBSQFOPEMQIEPD-CRWXNKLISA-N 300.366 -0.525 30 20 DBED Cn1nnc2c(C(=O)N[C@@H]3CCN(CC#N)C[C@H]3O)ccnc21 1090524332 YTQCBBDUDKNUDT-GHMZBOCLSA-N 315.337 -0.948 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)Cn2nnnc2C(C)C)[C@@H](O)C1 1090632322 FHFUCHCARRWGGW-OLZOCXBDSA-N 322.413 -0.076 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CN(c2nc(C)cc(C#N)n2)C[C@H]1C 1090652170 PCEYKMXBZNPNDJ-NOZJJQNGSA-N 316.365 -0.266 30 20 DBED CN(C)CCC(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@@H]1O 1091178429 ONPYLIMUXLFKOJ-OLZOCXBDSA-N 303.366 -0.429 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)Cc3nc[nH]n3)c3nccn32)C1 1092407896 WRBOIRIIQZOLSY-SNVBAGLBSA-N 312.337 -0.661 30 20 DBED Cc1cc(C#N)nc(N2CCN(C(=O)CCCC(N)=O)CC2)n1 1093161958 IDQHZODISQWLNT-UHFFFAOYSA-N 316.365 -0.039 30 20 DBED CC(=O)N(C)CC(=O)NC1[C@@H]2CN(c3ncccc3C#N)C[C@@H]12 1093218385 UNNQXYMBTOTSSB-CHWSQXEVSA-N 313.361 -0.018 30 20 DBED C#CCNC(=O)CC(=O)NCCNc1nc(C)ccc1[N+](=O)[O-] 1093558384 RELSZHASVXSGSV-UHFFFAOYSA-N 319.321 -0.034 30 20 DBED CC(=O)N1CC[C@@H](C(=O)NCCNc2cnc(C#N)cn2)C1 1093781847 WOLUCNCPSJKFEN-LLVKDONJSA-N 302.338 -0.255 30 20 DBED C[C@@H]1CCN(C(=O)C(=O)NCCNc2cncc(C#N)n2)C1 1093870110 MOVCBRIVGHOSDZ-SNVBAGLBSA-N 302.338 -0.255 30 20 DBED Cc1nnsc1C(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1 1094704441 VHZQGSVIEYJOAU-SECBINFHSA-N 320.378 -0.615 30 20 DBED CN1C[C@H](C(=O)NCCCN(C)c2ncccc2C#N)NC1=O 1095696807 MTUMEOSRUKQRAO-GFCCVEGCSA-N 316.365 -0.081 30 20 DBED CS(=O)(=O)CC(=O)N[C@@H]1CCN(c2cncc(C#N)n2)C1 1096342385 HFDWEAHNYCSHMR-SECBINFHSA-N 309.351 -0.912 30 20 DBED CC(=O)NCC(=O)NC[C@H]1CCCN(c2nccnc2C#N)C1 1097267066 LKKUNWPPRSRTMO-GFCCVEGCSA-N 316.365 -0.183 30 20 DBED N#Cc1nc(=NC2CCC(NC(=O)CNC(N)=O)CC2)cc[nH]1 1097611920 GSXDYYOAPGBVNA-UHFFFAOYSA-N 317.353 -0.722 30 20 DBED CCc1nc(C#N)cc(N[C@H](C)CNC(=O)CNC(C)=O)n1 1097685931 WWPWLOYVBHQPNN-SECBINFHSA-N 304.354 -0.037 30 20 DBED C[C@H](CNC(=O)c1cnn(C)c1N)N=c1cc[nH]c(C#N)n1 1097762875 QSWWLMGVKKJEHL-MRVPVSSYSA-N 300.326 -0.684 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CCCNC1=O)Nc1cnc(C#N)cn1 1098121164 VLIIXQCKESBMRA-GXSJLCMTSA-N 302.338 -0.209 30 20 DBED C=C(C)CN(CCO)C1CCN(C(=O)Cn2ncnn2)CC1 1098367660 KGUXCCYLZWFLRX-UHFFFAOYSA-N 308.386 -0.466 30 20 DBED C#CCN(CCO)C1CCN(C(=O)CNC(=O)C2CCC2)CC1 1098571773 VHYPWHFFRNGNBU-UHFFFAOYSA-N 321.421 -0.179 30 20 DBED CC#CCN1CCC2(CC1)CN(C(=O)CC(N)=O)C[C@H](C)O2 1098577723 HXDDFZFGKFHIFZ-ZDUSSCGKSA-N 307.394 -0.033 30 20 DBED C#CCNCc1cn([C@H]2CCN(C(=O)Cn3cncn3)C2)nn1 1098779910 NFHZUNWRTVJJTO-ZDUSSCGKSA-N 314.353 -0.934 30 20 DBED C[C@@H](CCNC(=O)c1cn(C)nn1)N=c1cc[nH]c(C#N)n1 1099109966 LEMZARSGTPZLQH-VIFPVBQESA-N 300.326 -0.481 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2cc(C)n(C)n2)[C@@H](O)C1 1099704831 RHIACSMQEOAUDS-HIFRSBDPSA-N 320.393 -0.457 30 20 DBED N#Cc1ccc(CN2CC[C@H](NC(=O)CC(N)=O)[C@@H](O)C2)s1 1099758420 SKOIYIDUUQGJHX-RYUDHWBXSA-N 322.390 -0.453 30 20 DBED C=C(Cl)CN1CC[C@@H](NC(=O)CCS(C)(=O)=O)[C@@H](O)C1 1099892082 HIAWUASGJUZRHT-MNOVXSKESA-N 324.830 -0.275 30 20 DBED COC[C@]1(C(=O)NCCN(C)c2ccc(C#N)nn2)CCOC1 1100238738 PVIMBNMOQYCHOG-OAHLLOKOSA-N 319.365 -0.046 30 20 DBED CCN(CCNC(=O)[C@@H]1CN(C)C(=O)N1)c1ccc(C#N)nc1 1100696464 SZEBMIDTEALENA-ZDUSSCGKSA-N 316.365 -0.081 30 20 DBED C=CCOCCN1C[C@@H](C)[C@H](CNC(=O)[C@H](C)NC(N)=O)C1 1101911706 OVWSNQRWYKTNGW-FRRDWIJNSA-N 312.414 -0.070 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](C)[C@H](CCNC(=O)CC(N)=O)C1 1102815126 QTSRYEGIRQQJSO-JHJVBQTASA-N 322.409 -0.926 30 20 DBED Cc1cc(C#N)nc(NC[C@H](C)CNC(=O)CCNC(N)=O)n1 1103967888 RJRYXPRWOHVVOW-SECBINFHSA-N 319.369 -0.121 30 20 DBED C=CCNCc1cn(C2CN(C(=O)C[C@@H]3COC(=O)C3)C2)nn1 1105211103 HLIOXHYBQIPHKO-NSHDSACASA-N 319.365 -0.110 30 20 DBED C[C@@H]1CN(C(=O)Cn2cccn2)C[C@H]1CNCC(=O)NCC#N 1105824465 WCTVCGGQPWBASD-CHWSQXEVSA-N 318.381 -0.793 30 20 DBED CN1CC[C@@H](C(=O)NC[C@@H](O)CNc2ncc(C#N)cc2F)C1 1105853470 OOYKIZILHRGNIW-NEPJUHHUSA-N 321.356 -0.067 30 20 DBED CC(=O)NC(C)(C)C(=O)NC[C@@H](O)CNc1ccc(C#N)nn1 1105899213 ZTZITAPOAZYYHG-NSHDSACASA-N 320.353 -0.848 30 20 DBED N#Cc1cccnc1NC[C@@H](O)CNC(=O)[C@@H]1CCCNC1=O 1105998718 FBWNPJDHAQOUIB-VXGBXAGGSA-N 317.349 -0.632 30 20 DBED CCc1nc(C#N)cc(NC[C@H](O)CNC(=O)CCN(C)C)n1 1106084933 INRJYKVOKRGQAN-LBPRGKRZSA-N 320.397 -0.249 30 20 DBED C[C@@H](C(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1)C(C)(F)F 1106118052 GZSKJBWDFBIHDU-DTWKUNHWSA-N 313.308 -0.050 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)[C@@]23COC[C@@H]2C3)nc1 1106146260 ZPBHEBYJNAGATF-ZOWXZIJZSA-N 302.334 -0.121 30 20 DBED CN(CC(=O)NC[C@H](O)CN=c1cc[nH]cc1C#N)C1CCC1 1106154984 QUVYUNJKWCWSBI-CQSZACIVSA-N 317.393 -0.252 30 20 DBED C[C@@H](CCNc1ccc(C#N)nn1)NC(=O)[C@H]1CN(C)CCO1 1106293825 LDAYLVISMOBWKX-WCQYABFASA-N 318.381 -0.014 30 20 DBED C[C@@H]1CN(C(=O)CCCN(C)C)C[C@H]1CNCC(=O)NCC#N 1106598023 UTTPJXYJKFPWML-ZIAGYGMSSA-N 323.441 -0.348 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)CS(=O)(=O)N(C)C)C[C@H]1C 1106935697 VKNVFCAMTNNGPF-CHWSQXEVSA-N 315.439 -0.415 30 20 DBED N#CCSCC(=O)NC/C=C/CNc1ccc2nnnn2n1 1107049362 OFMGKZZHBLNILF-OWOJBTEDSA-N 318.366 -0.140 30 20 DBED C#CCN1CC(n2cc(CNC(=O)CO[C@@H]3CCOC3)nn2)C1 1107172901 QREXIAXAVODHDV-CQSZACIVSA-N 319.365 -0.810 30 20 DBED C[C@@]1(CNC(=O)CCCn2ccnn2)CN(CC#N)CCO1 1107989123 PAROHKAYENPZNK-CQSZACIVSA-N 306.370 -0.211 30 20 DBED COCC#CCN1CCO[C@](C)(CNC(=O)c2cncn2C)C1 1108053510 RHQKTAJIYROWRW-MRXNPFEDSA-N 320.393 -0.109 30 20 DBED C[C@@]1(CNC(=O)C[C@@H]2CCCC(=O)N2)CN(CC#N)CCO1 1108063618 UKINKCAMBMJFDM-SWLSCSKDSA-N 308.382 -0.224 30 20 DBED C[C@H](CN=c1cc[nH]cc1C#N)NC(=O)[C@@H](C)S(C)(=O)=O 1108195236 SLIZGIKEYVEBKG-NXEZZACHSA-N 310.379 -0.275 30 20 DBED C=CCC[C@@H](C)N1CC(N2C[C@H](NC(=O)C(N)=O)CC2=O)C1 1108567195 YIOZHMNQMVGTFI-GHMZBOCLSA-N 308.382 -0.772 30 20 DBED C[C@H](CN(C)c1nccnc1C#N)NC(=O)C(=O)NCC1CC1 1109060389 COIMGMDCDDNDGB-SNVBAGLBSA-N 316.365 -0.185 30 20 DBED Cc1ccc(C#N)c(N(C)C[C@@H](C)NC(=O)Cn2ncnn2)n1 1109116691 LSPXWLKTRWTVHD-LLVKDONJSA-N 314.353 -0.111 30 20 DBED C#CCNC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCN(C)C 1109672706 QGLKYGPQLIQHCM-XGUBFFRZSA-N 320.437 -0.203 30 20 DBED C[C@@]1(NC(=O)CNC(N)=O)CCN(c2ccc(C#N)nc2)C1 1110708891 OELSJXNKUVWUGW-CQSZACIVSA-N 302.338 -0.293 30 20 DBED COCCC(=O)N(C)[C@H]1CN(c2ncccc2C#N)C[C@@H]1O 1111167796 QAPRSMRIOPSNCL-STQMWFEESA-N 304.350 -0.002 30 20 DBED CO[C@H](C(=O)N(CCO)CCN=c1cc[nH]c(C#N)n1)C(C)C 1111560573 SCEAXSCJOKAXHH-AWEZNQCLSA-N 321.381 -0.326 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(c2cc(C)ncn2)C[C@@H]1O 1112702930 WOSRTXDKVNIEBI-OLZOCXBDSA-N 306.366 -0.099 30 20 DBED C[C@H](NC(=O)c1cnn(C)c1N)[C@@H](C)N=c1cc[nH]c(C#N)n1 1112980979 KSHSMKOXWVEPLW-BDAKNGLRSA-N 314.353 -0.295 30 20 DBED COc1ccnc(C(=O)N2CCN(CC(=O)NCC#N)CC2)c1 1113181662 AAVCVXAPDLOLPV-UHFFFAOYSA-N 317.349 -0.512 30 20 DBED CC#CCN1CCN(C(=O)[C@@H](NS(C)(=O)=O)C(C)C)CC1 1113415241 RQBDQFLNRDLROI-ZDUSSCGKSA-N 315.439 -0.272 30 20 DBED C[C@@H](CNC(=O)CN1CCCC1=O)N(C)c1ccc(C#N)nn1 1113488670 KFNDJAQIKFMIBT-NSHDSACASA-N 316.365 -0.088 30 20 DBED C[C@H](CNC(=O)[C@H]1CCNC(=O)C1)N(C)c1ccnc(C#N)n1 1113575499 WGWCWFQEKKCFED-MNOVXSKESA-N 316.365 -0.185 30 20 DBED CCS(=O)(=O)CC(=O)N1CCN(CC#CCOC)CC1 1113684180 RGZSIADDZPYFTL-UHFFFAOYSA-N 302.396 -0.785 30 20 DBED COCC#CCN1CCN(C(=O)[C@@H]2CCCN2C(N)=O)CC1 1113727141 DXBVSOAXIYDIOE-ZDUSSCGKSA-N 308.382 -0.677 30 20 DBED CCO[C@H](C(=O)NC1[C@H]2CN(CC(=O)NCC#N)C[C@H]12)C(C)C 1114249823 JNVXAPKGTAXROK-HUBLWGQQSA-N 322.409 -0.266 30 20 DBED CC(=O)NCC(=O)N[C@H]1CN(c2ccc(C#N)nn2)CC1(C)C 1114419455 KUIPPFWRHNEADQ-LBPRGKRZSA-N 316.365 -0.185 30 20 DBED CCc1nocc1C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1114787392 SALXYUSEVYALJS-MSRIBSCDSA-N 317.349 -0.463 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)C[C@H]3CCC(=O)N3)[C@H]2C1 1114966127 WZVQKOSNAFHDSB-YMEQNVIZSA-N 320.393 -0.996 30 20 DBED C[C@@H](CN(C)C(=O)[C@H]1OCCO[C@H]1C)N=c1cc[nH]c(C#N)n1 1120864387 KCMMLUPICIXVPD-MJVIPROJSA-N 319.365 -0.167 30 20 DBED N#Cc1cccnc1N[C@@H](CO)CNC(=O)C[C@@H]1COC(=O)C1 1121304489 YKCPSGIENRBBSG-CMPLNLGQSA-N 318.333 -0.205 30 20 DBED CCNC(=O)CC(=O)NC[C@@H](CO)Nc1nc(C)cc(C#N)n1 1121464255 JXYPVNJARLHUET-NSHDSACASA-N 320.353 -0.928 30 20 DBED Cc1nc(O)[nH]c1C(=O)NC[C@H](CO)Nc1ccc(C#N)cn1 1122212737 BYYUACKVGYWQBX-SNVBAGLBSA-N 316.321 -0.107 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)c2cnc(C)cn2)C1=O 1122922149 XIBAFPFFDRLZQQ-GFCCVEGCSA-N 303.366 -0.109 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)c1cnsn1 1124090592 KFWBKCNRMXJOSG-QMMMGPOBSA-N 319.350 -0.833 30 20 DBED Cc1ocnc1C(=O)N(C)C[C@@H](O)CN=c1cc[nH]c(C#N)n1 1124135957 VJHJRZQUPGTFCI-JTQLQIEISA-N 316.321 -0.388 30 20 DBED CN(C[C@@H](O)CN(C)c1cnc(C#N)cn1)C(=O)CC(C)(C)O 1125099631 CMACAKBEUATSOF-LBPRGKRZSA-N 321.381 -0.235 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(CCF)C[C@@H]1n1ccnn1 1128980060 LVSNGSIFWNIVRC-XQQFMLRXSA-N 309.345 -0.373 30 20 DBED C#CCNC(=O)CNCCNC(=O)C[C@@H](C)c1c(C)n[nH]c1C 1130459197 CHRWVWACINWRAB-LLVKDONJSA-N 319.409 -0.025 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1c(NC(C)=O)c[nH]c1C 1130603554 IQASQTQBMVXTRU-UHFFFAOYSA-N 321.381 -0.097 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)C1CCC(C(N)=O)CC1 1130684392 POSYPKVLGIADGY-PNESKVBLSA-N 322.409 -0.878 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1cnn2c1OCCC2 1130837838 IMTJNSCOCUJDQK-LLVKDONJSA-N 319.365 -0.877 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)[C@@H](COC)OC)C[C@@]3(C1)O2 1131264280 MAOBNKUVNFJYKB-IXYNUQLISA-N 308.378 -0.417 30 20 DBED C=CCNC[C@H]1CN(C(=O)Cn2c(O)nnc2O)CC[C@@H]1C 1133269655 ASOWKAGMYHROIN-QWRGUYRKSA-N 309.370 -0.051 30 20 DBED C[C@@H](C[C@H](C)NC(=O)c1nccnc1N)NCC(=O)NCC#N 1133953377 IFAPMUXDTSZGCD-UWVGGRQHSA-N 319.369 -0.815 30 20 DBED C[C@@H](C[C@@H](C)NCC(=O)NCC#N)NC(=O)c1ncccc1O 1134189126 JMYVUZLXAQUCCC-MNOVXSKESA-N 319.365 -0.087 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)CN(C)C1CCC1)NCC(=O)NCC#N 1134607989 OYJUNFAUAVPDMF-QWHCGFSZSA-N 323.441 -0.017 30 20 DBED C=CCCn1cc(C(=O)NCCNCc2nncn2C)nn1 1135071928 MOHBDAQGEUVKPE-UHFFFAOYSA-N 304.358 -0.498 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)c1oncc1C 1146528977 TZKIUUTWZDLPRU-SNVBAGLBSA-N 323.353 -0.297 30 20 DBED C=CCNC(=O)NC(=O)CN1CCC2(C1)CN(C(=O)CC)C2 1146841037 ZNAHQOIBBDSGFI-UHFFFAOYSA-N 308.382 -0.058 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)CCCCC(N)=O)C1=O 1147122992 CHHWYQSBDBGBET-GFCCVEGCSA-N 310.398 -0.475 30 20 DBED C#CCOc1ncccc1C(=O)NCCN[C@@H]1CCN(C)C1=O 1148309916 XPAMCUVCJNXQTA-CYBMUJFWSA-N 316.361 -0.356 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CN(CCN2CCCC2=O)CCCO1 1149415954 PXURGMOOMZTJHG-KBPBESRZSA-N 322.409 -0.024 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(Cc2nnnn2C)CCCO1 1149432386 SKQHWVWATKXRPX-GFCCVEGCSA-N 324.385 -0.880 30 20 DBED C#CCCN1CCCO[C@H](CNC(=O)C[C@H](C)NC(N)=O)C1 1149721740 QLYUESLIKVNPPC-QWHCGFSZSA-N 310.398 -0.336 30 20 DBED CC#CCN1CCCO[C@@H](CNC(=O)[C@]2(C)CCC(=O)N2)C1 1150276971 OLZAXTPUEUFANZ-BBRMVZONSA-N 307.394 -0.115 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)c1cnns1 1152114508 CYUAVOAGUMEXTF-SECBINFHSA-N 310.383 -0.382 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)CCOCCOC)C1=O 1153218745 GQJKRQKLTMOWEB-ZDUSSCGKSA-N 313.398 -0.468 30 20 DBED O=C(C#CC1CC1)NCCCNC[C@@H](O)CN1C(=O)CCC1=O 1157682604 LASHKVZTENJRKL-CYBMUJFWSA-N 321.377 -0.994 30 20 DBED C=CCOCCNCCCNC(=O)CS(=O)(=O)CCOC 1161105393 MSQVBJSXXXOUSK-UHFFFAOYSA-N 322.427 -0.654 30 20 DBED C#CCNCC1(CCNC(=O)CCNS(C)(=O)=O)CC1 1165293552 PUDXZLDOBLSCGM-UHFFFAOYSA-N 301.412 -0.565 30 20 DBED CN(CC(=O)NCCC1(CNCC#N)CC1)S(C)(=O)=O 1165313742 AVQRVOIKSCJHQZ-UHFFFAOYSA-N 302.400 -0.723 30 20 DBED C=CCNC(=O)CNCCCC[C@@H](C)NC(=O)CNC(N)=O 1169062274 KTWPLQRUHCXKDJ-LLVKDONJSA-N 313.402 -0.779 30 20 DBED C=CCNC(=O)CNCCCC[C@@H](C)NC(=O)Cc1nc[nH]n1 1176095507 GBOPSTBOHUJNEI-GFCCVEGCSA-N 322.413 -0.086 30 20 DBED CC#CCNCCCCCCNC(=O)CNC(=O)CNC(C)=O 1178846181 DWLFFEYAFZTTRE-UHFFFAOYSA-N 324.425 -0.472 30 20 DBED C=CCNC(=O)CNC[C@]1(C)CN(C(=O)c2cnn[nH]2)C[C@H]1C 1181976767 SHBSKTVRPUEAAT-IAQYHMDHSA-N 320.397 -0.205 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2cn(C)cn2)C1 1182015372 KXQUJPCJFKBQNH-NWDGAFQWSA-N 305.382 -0.085 30 20 DBED C#CCCNC[C@H]1CCN(C(=O)CN2CCOCC2=O)C[C@@H]1C 1184575444 CXZDCZDFVBESJM-LSDHHAIUSA-N 321.421 -0.057 30 20 DBED Cc1ncc(C(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)n1C 1185167393 RSPKZOJZHFXCIW-LLVKDONJSA-N 304.354 -0.828 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2ccn(CC)n2)C1 1186074571 FVAKUVBUKHEENJ-GFCCVEGCSA-N 303.366 -0.544 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H]2CCN(C(=O)c3cn[nH]c3)[C@@H]2C1 1186958603 LPMCDLDVOIJKIB-MBNYWOFBSA-N 315.377 -0.306 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1 1187220974 RDYAVAYIYABMLA-TUAOUCFPSA-N 308.382 -0.854 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@H]1CCN(C(=O)c2cnccn2)C1 1188675770 NSWDODVCWLQESO-OLZOCXBDSA-N 315.377 -0.239 30 20 DBED CC1CCN(C(=O)CN2C[C@@H](O)[C@H](NC(=O)[C@H](C)C#N)C2)CC1 1191853570 FXQCMCCBDGTJKF-MGPQQGTHSA-N 322.409 -0.434 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 1192387678 XYYJGQHDVQBYGC-KGLIPLIRSA-N 308.426 -0.391 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2cn(CC)nn2)C1 1193108832 BMHMZXNBYOZALD-GFCCVEGCSA-N 318.381 -0.806 30 20 DBED COCC#CCN1CCCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 1197141580 JRVHHTIFUUDVIG-UONOGXRCSA-N 323.393 -0.797 30 20 DBED CCc1onc(C)c1C(=O)N[C@@H]1CN(CC#CCOC)C[C@H]1O 1198520901 RISWYQIYCIMNOP-CHWSQXEVSA-N 321.377 -0.030 30 20 DBED COCC#CCNC[C@H]1CN(C(=O)c2cnnn2C)CCCO1 1200397976 WUWMQZINZJLRFY-ZDUSSCGKSA-N 321.381 -0.714 30 20 DBED N#CCNC[C@@H]1CN(C(=O)[C@@H]2CCc3nn[nH]c3C2)CCCO1 1201849013 RRPNYFJEHFZIQL-VXGBXAGGSA-N 318.381 -0.360 30 20 DBED N#CCNC(=O)CNC1CCN(C(=O)c2nccs2)CC1 1203031762 ADMUGHCGZOCNQB-UHFFFAOYSA-N 307.379 -0.023 30 20 DBED CC#CCN[C@H]1C[C@H]2CC[C@H]1N(C(=O)CS(=O)(=O)NC)C2 1204986837 BXFOJSDAZMPAFM-FRRDWIJNSA-N 313.423 -0.472 30 20 DBED Cc1nnccc1C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1207871384 JFFPXSRPQKGZTO-ZWNOBZJWSA-N 316.365 -0.525 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)C[C@H]2CCC(=O)N2)C1 1210079826 IDPNEWQWIFAUGM-CHWSQXEVSA-N 322.409 -0.462 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1NC(=O)CCNC(=O)[C@H]1CCCO1 1211466111 SDXUKEIPBJPWEP-JHJVBQTASA-N 308.382 -0.368 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)C#CC2CC2)[C@H](OC)C1 1212251250 UFNZIVOSMFXYON-NWANDNLSSA-N 319.405 -0.094 30 20 DBED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)Cc1ccco1 1213600611 WPKYBHLCPUDIJR-CHWSQXEVSA-N 320.349 -0.723 30 20 DBED Cc1csc(=O)n1CCN1C[C@H](O)[C@H](NC(=O)[C@H](C)C#N)C1 1219380931 BXOYTAGVXVFMOO-JLLWLGSASA-N 324.406 -0.461 30 20 DBED CC1(C)C(C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@@H]2O)C1(C)C 1219415797 HKWBAHZVZQRUIC-MNOVXSKESA-N 322.409 -0.530 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)CCc2ccoc2)C1 1219451773 NXMOGABTSZXODC-KGLIPLIRSA-N 321.377 -0.324 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2ccn(CC)n2)C[C@@H]1O 1219605613 XOJHTUZVSSKTLI-YUELXQCFSA-N 320.393 -0.397 30 20 DBED COCC#CCN1CC[C@@H]2CN(C(=O)[C@H]3CCNC(=O)C3)[C@@H]2C1 1221477075 JZRAERQUEDUXNL-RRFJBIMHSA-N 319.405 -0.305 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@H]2CCN(CC(=O)N3CCC3)C[C@H]21 1221539406 YDIWYTRXRKDOHC-RRFJBIMHSA-N 319.405 -0.210 30 20 DBED C=CCN1CC[C@@H]2CN(C(=O)[C@H](CCC(N)=O)NC(C)=O)[C@@H]2C1 1221873099 PKAGKEKUDYDICF-HZSPNIEDSA-N 322.409 -0.525 30 20 DBED N#CCSCC(=O)NCC1CCN([C@H]2CCNC2=O)CC1 1222419878 HNTOAWZSVNQQRV-LBPRGKRZSA-N 310.423 -0.040 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC(CNC(=O)c2cnn[nH]2)CC1 1223719651 HIRFENNHRRTOFN-NSHDSACASA-N 318.381 -0.616 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CCCC[C@H]1NCCN1C(=O)CNC1=O 1225428105 ZNJPQPOODASUAU-IJLUTSLNSA-N 321.381 -0.285 30 20 DBED C#CCNC(=O)CC(=O)NC1CCN(Cc2n[nH]c(C)n2)CC1 1226961741 LJOSTQWTFHWGSC-UHFFFAOYSA-N 318.381 -0.667 30 20 DBED C=CCNC(=O)NC(=O)CN(C)CCCNC(=O)COCC 1231406345 CBNFILCKSZNWJS-UHFFFAOYSA-N 314.386 -0.527 30 20 DBED CN(C[C@@H]1CCN1CC(=O)NCC#N)C(=O)CCOCC1CC1 1234267355 XVVVUCLXZAFHCS-AWEZNQCLSA-N 322.409 -0.024 30 20 DBED C=CCN1CC[C@H]1CN(C)C(=O)CN(C)S(=O)(=O)N(C)C 1234287868 WTTXNPUNBLBZPD-LBPRGKRZSA-N 318.443 -0.557 30 20 DBED C#CCN1CC[C@H]1CN(C)C(=O)[C@@H](C)NS(=O)(=O)CC 1234447881 YJXUTXOCPMQBCF-NEPJUHHUSA-N 301.412 -0.520 30 20 DBED Cc1nc(Cn2cc(C(=O)N[C@@H]3CCCN(O)C3=O)nn2)no1 1261549679 ATPDEZMVNBTGIK-MRVPVSSYSA-N 321.297 -0.872 30 20 DBED C#CCCCn1nnnc1N1CCC[C@H](NS(C)(=O)=O)C1 1262410133 VRTJXERNOBOVLX-NSHDSACASA-N 312.399 -0.396 30 20 DBED O=C(NCCN/C(O)=C1/N=CC=CC1=O)NC[C@H]1CCCO1 1321746350 OVSLPXJGRRMQDH-JBEXSADBSA-N 308.338 -0.009 30 20 DBED CC(=O)N1CCC(CNC(=O)C(=O)N2CC[C@@](F)(C#N)C2)CC1 1323193653 MTHKRHIBTIHVFI-OAHLLOKOSA-N 324.356 -0.175 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N1CCC(O)(C(F)F)CC1 1323821675 FZFHDANGNLVCKB-VIFPVBQESA-N 306.309 -0.078 30 20 DBED Cc1ccc(CCNC(=O)C(=O)N2CC[C@](O)(CC#N)C2)nc1 1326153831 YLVDVMGICRXVNJ-MRXNPFEDSA-N 316.361 -0.074 30 20 DBED COC(=O)[C@@H]1C[C@H](O)CN(C(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)C1 1326168505 LPFDLTRPRROLRJ-QCNOEVLYSA-N 323.349 -0.823 30 20 DBED C#CC1CCN(C(=O)C(=O)N2CCN(CCOC)CC2)CC1 1326248704 LTKXUUBADWUBHJ-UHFFFAOYSA-N 307.394 -0.351 30 20 DBED CC(C)(C)n1nnc(CNC(=O)C(=O)N2CCC(C#N)CC2)n1 1326809090 FZKWKOFABOEKMX-UHFFFAOYSA-N 319.369 -0.194 30 20 DBED N#Cc1cccc(NC(=O)C(=O)NC[C@]2(O)CCSC2)n1 1326822223 YGGHQCSGZDUHKX-CYBMUJFWSA-N 306.347 -0.124 30 20 DBED C=CCOCCNC(=O)C(=O)N1CCC[C@@H](C2OCCO2)C1 1327927458 OCYVLPOFCTWOEL-GFCCVEGCSA-N 312.366 -0.083 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N(C[C@H](C)O)C2CC2)nn1 1329213211 VETMKINDKOBILE-JTQLQIEISA-N 307.354 -0.548 30 20 DBED N#C[C@]1(F)CCN(C(=O)C(=O)N2CC[C@H]3NC(=O)CC[C@@H]3C2)C1 1329703039 IXPFYCVVAHDMSA-UEKVPHQBSA-N 322.340 -0.422 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2C[C@@H](C)OC[C@@H]2C)nn1 1332045480 TXDSYMZYNBTICD-WDEREUQCSA-N 307.354 -0.284 30 20 DBED C=CCC1(O)CCN(c2nnnn2C[C@H]2CNC(=O)C2)CC1 1334426499 VHAJFDVQYTULNV-LLVKDONJSA-N 306.370 -0.283 30 20 DBED CCN1CCO[C@H](C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1 1339747305 PVEACGUVKBVEIY-PRSJPOKTSA-N 322.365 -0.650 30 20 DBED N#C[C@]1(F)CCN(C(=O)C(=O)NCCOC[C@@H]2CCCO2)C1 1345495632 XXHIASLLGDGANG-SMDDNHRTSA-N 313.329 -0.238 30 20 DBED C#CC1CCN(C(=O)C(=O)N2CCN(C[C@H](C)O)CC2)CC1 1345991883 WPCXZTDSABHZKS-ZDUSSCGKSA-N 307.394 -0.617 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCN(c2cc(=O)n(C)c(O)n2)C1 1347465084 DGRPDDXXAABDJB-LLVKDONJSA-N 320.349 -0.779 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)c2cnn(C[C@@H](O)CO)c2)C1=O 1347762988 MVNKRRWEKYJWMR-OLZOCXBDSA-N 322.365 -0.905 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)NCc2nc3c(s2)CCC3)CCO1 1351571361 JUMGSUCUHJHXFX-SECBINFHSA-N 320.374 -0.001 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)CCC(=O)N2CCC(O)CC2)C1 1362935741 NCKVQLWCZQJIQC-OAHLLOKOSA-N 309.366 -0.373 30 20 DBED CCCN1CCCN(c2[nH]c(=O)n(C)c(=O)c2C#N)CC1=O 1364556836 PCSFULQXSKQWCY-UHFFFAOYSA-N 305.338 -0.606 30 20 DBED C[C@H](CC(N)=O)C(=O)NC[C@H](O)CNCc1cccc(C#N)c1 1367609996 WAENQMCSGDQIDW-BXUZGUMPSA-N 318.377 -0.364 30 20 DBED C[C@H](CNC(=O)Cn1cncn1)NC(=O)c1ccc(C#N)[nH]1 1373095318 DWYVLDQJKQYCEB-SECBINFHSA-N 301.310 -0.587 30 20 DBED C[C@H](C#N)C(=O)N(C)CCN(C)C(=O)C[C@@H]1CCC(=O)NC1 1376310490 SSRCBQVTSPGRKC-NEPJUHHUSA-N 308.382 -0.021 30 20 DBED CC(=O)NCC(=O)NCC[C@@H](C)NC(=O)c1cc(C#N)c[nH]1 1387371545 CKOXYBNTJQANGP-SECBINFHSA-N 305.338 -0.353 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)C2=COCCC2)C1 1390424341 WPMOOOBIUGJVHT-IAQYHMDHSA-N 307.350 -0.080 30 20 DBED Cn1cnc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)n1 1412182553 RQVMQCRQPJUZTI-UHFFFAOYSA-N 320.334 -0.396 30 20 DBED C[C@H](C#N)C(=O)NCCN1CCN(C(=O)c2cncn2C)CC1 1414756600 LTLOPVCCSCVGSJ-GFCCVEGCSA-N 318.381 -0.546 30 20 DBED N#Cc1ccc(CN2CC[C@@H]2CNC(=O)Cn2ncnn2)s1 1420841015 ZWWMESDSSOIYOK-SNVBAGLBSA-N 317.378 -0.003 30 20 DBED Cn1c(=O)[nH]c(N[C@@H](C(N)=O)c2ccc(F)cc2)c(C#N)c1=O 1421132344 QNTYPYBQJCFNGO-SNVBAGLBSA-N 317.280 -0.277 30 20 DBED CCn1cc(CC(=O)N(C)C[C@H](O)CNC(=O)[C@@H](C)C#N)cn1 1428271723 LAWSOAZFJISNHJ-WCQYABFASA-N 321.381 -0.459 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C(=O)[C@H]1CCC(=O)NC1)C1CC1 1431917826 UGMBCVLETKABIZ-QWRGUYRKSA-N 306.366 -0.221 30 20 DBED CC(C)[C@H](CO)CNC(=O)CCn1cc(C#N)c(O)nc1=O 1433973276 MRHQOUQXBOGJPL-NSHDSACASA-N 308.338 -0.409 30 20 DBED CC(=O)N(C)CC(=O)N1CC[C@](C)(CNC(=O)[C@@H](C)C#N)C1 1434212552 HEZLTARFHIXSRC-XHDPSFHLSA-N 308.382 -0.021 30 20 DBED N#CCNC(=O)CN1CC[C@@H](NC(=O)CCc2ccncn2)C1 1479954576 PCJAJYBZVHBKGR-CYBMUJFWSA-N 316.365 -0.761 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(CN(C(=O)CNC(=O)C3CC3)C2)C1 1512281186 FXTXHGZXQZJDFN-NSHDSACASA-N 318.377 -0.267 30 20 DBED C=CCn1c([C@@H](C)O)nnc1N1CC[C@@H]2OCC(=O)N[C@H]2C1 1520350076 IOYBSDQSZWULNL-VWYCJHECSA-N 307.354 -0.389 30 20 DBED C[C@H](C#N)CN(C)c1nnc(Cn2cnc([N+](=O)[O-])n2)n1C 1526019606 PDXDDNUFLJQRGS-MRVPVSSYSA-N 305.302 -0.041 30 20 DBED CC[C@H](CNC(=O)c1cnnn1C)NC(=O)c1cc(C#N)c[nH]1 1531172324 VIYMCGHAQVYFPI-SNVBAGLBSA-N 315.337 -0.047 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)[C@H]2CCCN2C(C)C)C1 1566662669 NUVLQOVIABYAKR-LSDHHAIUSA-N 320.437 -0.201 30 20 DBED N#C[C@@H]1COCCN1C(=O)CNc1ccc(-c2nn[nH]n2)cn1 1581856816 FPRFQPUBIPCDMY-SNVBAGLBSA-N 314.309 -0.575 30 20 DBED C=CCCC[C@H](NC(=O)c1cnn(C[C@H](O)CO)c1)C(=O)O 1588798022 RJCKDOUAMYNRAA-RYUDHWBXSA-N 311.338 -0.224 30 20 DBED N#CCN(CC(=O)O)C(=O)COCCNC(=O)c1ccccc1 1601069419 KVOAWXUTGFVPKN-UHFFFAOYSA-N 319.317 -0.130 30 20 DBED N#Cc1ccc2c(c1)N(C(=O)C(=O)NC[C@H](O)CC(=O)O)CC2 1601114467 DLFPARFRKBVUSY-LLVKDONJSA-N 317.301 -0.601 30 20 DBED C#CC[C@@H](NC(=O)CCN1C(=O)NC2(CCCC2)C1=O)C(=O)O 1602687980 ZGKGYRCFKDYSKA-SNVBAGLBSA-N 321.333 -0.166 30 20 DBED C#CCOCCC(=O)N(C)C1CN(C(=O)[C@@H]2C[C@H]2C(=O)O)C1 1602728410 UPBXTRRWRQIHGL-VXGBXAGGSA-N 308.334 -0.584 30 20 DBED C=CCCN1CC[C@H](NC(=O)CCn2cc[nH]c(=O)c2=O)C1 1665494620 KPTNJJXGBLNXSU-LBPRGKRZSA-N 306.366 -0.307 30 20 DBED C=CCN1CCN(CCNC(=O)CCCn2cncn2)CC1 1752375526 PPTGJGQKHPQPEA-UHFFFAOYSA-N 306.414 -0.022 30 20 DBED C#CCCN1CCC[C@@H](CNC(=O)CN2CC(=O)N(C)C2=O)C1 1752788656 OEYWKNSRLMZLIC-ZDUSSCGKSA-N 320.393 -0.268 30 20 DBED N#CCNC(=O)CNC[C@@H]1CCCN(C(=O)[C@@H]2CCCOC2)C1 1752795350 YRUSCFICFVTSKU-UONOGXRCSA-N 322.409 -0.119 30 20 DBED N#CCNC(=O)CN1CC2(CCN(C(=O)c3cocn3)CC2)C1 1753672597 FWWNHYWPXYGZQF-UHFFFAOYSA-N 317.349 -0.148 30 20 DBED N#CCNC(=O)CNC[C@@H]1CCCC[C@@H]1NC(=O)c1ncc[nH]1 1754342285 WEGALHIITUMNQL-RYUDHWBXSA-N 318.381 -0.072 30 20 DBED CCN1CCO[C@H](C(=O)N(C)CCCNCC#CCOC)C1 1754414906 QJBWGHZOUXSYOG-HNNXBMFYSA-N 311.426 -0.205 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@H](NC(=O)c1ncc[nH]1)C1CC1 1754440759 ZVCHSYVDABDOHZ-JQWIXIFHSA-N 303.366 -0.354 30 20 DBED COc1cc(C(=O)NC[C@@H]2CCN2CC(=O)NCC#N)sn1 1754482082 HPOIMDPQPGEXRU-VIFPVBQESA-N 323.378 -0.404 30 20 DBED CC(C)(C(=O)NCC1[C@@H]2CN(CC#N)C[C@@H]12)N1CCOCC1 1755429798 KKSDDWZDYOQKLI-KBPBESRZSA-N 306.410 -0.085 30 20 DBED C#CCCN[C@@H](CO)CNC(=O)CN1CCCCCCC1=O 1755631008 VPDQAYSMPSGEBJ-CQSZACIVSA-N 309.410 -0.131 30 20 DBED COCC#CCN[C@@H](CO)CNC(=O)c1c[nH]nc1C1CC1 1755643253 HQOKFKOLCODUNK-GFCCVEGCSA-N 306.366 -0.383 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2n[nH]c(C)c2O)[C@@H]1C 1755650720 QFXGQYMYBNIZKG-MNOVXSKESA-N 319.365 -0.634 30 20 DBED CC(C)C[C@]1(C(=O)N(C)C[C@@H](O)CNCC#N)CCNC1=O 1755781489 FYKAOUQBKIDNEY-SWLSCSKDSA-N 310.398 -0.529 30 20 DBED C#CCO[C@H](C)C(=O)NC1CC(CNC(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1755934543 HDRSOIOEUZHROS-BZPOBWDRSA-N 320.389 -0.072 30 20 DBED C#CCNC(=O)CC(=O)N1CC([C@H](C)NC(=O)[C@@H]2C[C@H]2C)C1 1756151974 GRTLFMWDCJWNSJ-NTZNESFSSA-N 305.378 -0.255 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@@H](NC(=O)CC(N)=O)C(C)(C)C1 1756178842 OGOOUQMRTMVSPR-GHMZBOCLSA-N 309.366 -0.747 30 20 DBED C#Cc1cncc(C(=O)N[C@H](CO)CNC(=O)[C@H](C)OCC)c1 1756506271 RYVBUIAHWXNDDU-FZMZJTMJSA-N 319.361 -0.305 30 20 DBED C=CCCCC(=O)N(C)C[C@@H](O)CNC(=O)[C@H]1COCCO1 1756675674 BXWKKYHCBWUWNI-QWHCGFSZSA-N 314.382 -0.306 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@@H](CCC#N)C(=O)O 1777210138 WIFPHDYSYLIBCO-JTQLQIEISA-N 318.355 -0.560 30 20 DBED CC(C)[C@@H](O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C#CC(=O)O)C2 1793232531 HLWRKJDTQUUZBT-NWJSVONSSA-N 322.361 -0.271 30 20 DBED C[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CC1 1795413139 QWMJVDXFVDDULO-WISYIIOYSA-N 307.350 -0.739 30 20 DBED N#CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC1(O)CCC1 1801584975 OJALLUNMVLDXNZ-JJLQDPRZSA-N 321.377 -0.205 30 20 DBED C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C[C@](C)(O)CC(=O)O)C2 1801601700 TZHQWMBTSHTGFE-BUWBCJGYSA-N 322.361 -0.126 30 20 DBED NCC(=O)N1CCCC12CN(C(=O)C#CC1(O)CCCCC1)C2 1842877466 VLODFSMWMNFMQX-UHFFFAOYSA-N 319.405 -0.153 30 20 DBED N#CCC(=O)N1CC2(CCCN2C(=O)CSCC(=O)O)C1 1846390173 RSZMHLDJEZYDPV-UHFFFAOYSA-N 311.363 -0.079 30 20 DBED CN1CCN(c2ncccc2C/N=C(/N)N2CCOCC2)CC1 303902560 XXFLSIMINJGINY-UHFFFAOYSA-N 318.425 -0.020 30 20 DBED CN1CCC(O)(CN/C(O)=N/C[C@@H]2CN(C)CCO2)CC1 329569215 LVZFOKJYIRYOKZ-GFCCVEGCSA-N 300.403 -0.723 30 20 DBED O=S(=O)(C1COC1)N1CCN(C/C(O)=N/C2CC2)CC1 329986819 SDIPGRPEZVGDMN-UHFFFAOYSA-N 303.384 -0.549 30 20 DBED Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NCCC#N 331173631 GDDGMZVVUFMLKZ-VIFPVBQESA-N 313.383 -0.266 30 20 DBED C[C@H](C(=O)N(C)CCC#N)N1CCC[C@]2(C1)NC(=O)NC2=O 331684223 RRZXKXJNNSNEOA-QMTHXVAHSA-N 307.354 -0.579 30 20 DBED CCS(=O)(=O)C1CN(S(=O)(=O)N(C)[C@@H](C)CC#N)C1 332070140 UJSBMKYSOGPOEY-VIFPVBQESA-N 309.413 -0.416 30 20 DBED CCN(C)C(=O)CNS(=O)(=O)N(CCC#N)CCOC 336886362 GDAVONYAMKJLAF-UHFFFAOYSA-N 306.388 -0.839 30 20 DBED COCCN(CCC#N)S(=O)(=O)NC[C@H](O)[C@H]1CCOC1 337089752 ITOQWWVLNWJUKW-RYUDHWBXSA-N 321.399 -0.920 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)NCCC(=O)N1CCOCC1 337789337 ALGDDSYDFFIXGM-NSHDSACASA-N 318.399 -0.696 30 20 DBED O=C(NCC#CCO)c1ccc(CN2C(=O)CNC2=O)cc1 339193382 UHQYBXOUYVKWDC-UHFFFAOYSA-N 301.302 -0.536 30 20 DBED COC(=O)[C@H](NS(=O)(=O)Cc1cccc(C#N)c1)[C@@H](C)O 344538292 NCMJIPQNNDUXQF-BXKDBHETSA-N 312.347 -0.100 30 20 DBED N#CC1(NC(=O)CN2CCN(c3nc(N)ns3)CC2)CCC1 347003384 XWRQRJXLJYBDOX-UHFFFAOYSA-N 321.410 -0.195 30 20 DBED N#Cc1ccccc1S(=O)(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 352955465 WCHUBQDOGSXEHU-SNVBAGLBSA-N 320.330 -0.517 30 20 DBED N#Cc1ccc(N2CCN(S(N)(=O)=O)CC2)cc1[N+](=O)[O-] 357310651 ZGGJOHSKJGBCHE-UHFFFAOYSA-N 311.323 -0.208 30 20 DBED C=C[C@H](CO)NC(=O)NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 358910150 YMHFNBNRUBGMBJ-IEECTRCBSA-N 319.361 -0.360 30 20 DBED C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCC(C)(C)C#N 359644930 FYBCRPQXSLDXOV-SECBINFHSA-N 313.383 -0.247 30 20 DBED C=CCOC[C@H](NC(=O)c1ccc(C(=O)NC)nc1)C(=O)OC 360743736 GFYZAXGQJJUALU-LBPRGKRZSA-N 321.333 -0.085 30 20 DBED C=CCNC(=O)NC(=O)CN1CCN(c2cnn(C)c2)C(=O)C1 377990962 LEUOZUOPJKWVLV-UHFFFAOYSA-N 320.353 -0.920 30 20 DBED CC[C@@H](N=c1nn[nH]n1-c1ccccc1)C(=O)NCC#CCO 412322062 AVQHFECKJZHICZ-CYBMUJFWSA-N 314.349 -0.613 30 20 DBED C[C@@H](C#N)S(=O)(=O)N1CCCC[C@H]1C(=O)N1CCOCC1 416392890 VUOXWKAABNVQAC-RYUDHWBXSA-N 315.395 -0.058 30 20 DBED CN[C@H]1CCN(C(=O)C(=O)NCCOc2ccc(C#N)cc2)C1 419467576 STXZXKCJUBORIM-ZDUSSCGKSA-N 316.361 -0.126 30 20 DBED C=CCC[C@@H]1NC(=O)N(CCNS(=O)(=O)NC(C)C)C1=O 419941435 WSXJOJDYWJAOKM-JTQLQIEISA-N 318.399 -0.295 30 20 DBED C=CCn1cc(CNC(=O)c2cn(C[C@@H]3CCCN3)nn2)nn1 424202908 BCYXVSFEEHXCSP-NSHDSACASA-N 316.369 -0.262 30 20 DBED CC(C)(C)OC(=O)CNC(=O)C(=O)Nc1ccn(CCC#N)n1 444588452 ZPEDDTLVCQSGSE-UHFFFAOYSA-N 321.337 0.193 30 20 DBED CCS(=O)(=O)N(C)CC(=O)NC[C@@H]1CCCN(CC#N)C1 489011639 KVALWKRZRJHJIU-LBPRGKRZSA-N 316.427 -0.380 30 20 DBED Cc1nnsc1CNS(=O)(=O)N1CCO[C@H](C#N)C1 490426354 PARJKFSFCDTRDA-MRVPVSSYSA-N 303.369 -0.595 30 20 DBED C#CCNC(=O)CN1CCN(CCN2CCO[C@H](C)C2)CC1 491103066 OCMJEUSLMZHGJG-OAHLLOKOSA-N 308.426 -0.926 30 20 DBED C#CCN1CCN(C(=O)CN[C@H](COC)[C@@H]2CCCO2)CC1 491567397 KVTMFBSZVSJATA-CABCVRRESA-N 309.410 -0.453 30 20 DBED C=CCn1nnnc1SCC(=O)N1CCC[C@@H](C(N)=O)C1 505842088 CKCMFQCRMIROLK-SECBINFHSA-N 310.383 -0.325 30 20 DBED C=CCn1cc(CNC(=O)N[C@@H]2CCc3nnnn3CC2)nn1 566617825 VEXNGRKAAIDQBV-SNVBAGLBSA-N 317.357 -0.345 30 20 DBED Cc1cc(N2CCNC(=O)C2)c(C#N)c(N2CCNC(=O)C2)n1 589102669 DJXXRGQVNCCXBY-UHFFFAOYSA-N 314.349 -0.866 30 20 DBED CC[C@@H](C#N)C(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 593472067 DQGRERPUKLSPMA-STQMWFEESA-N 308.382 -0.415 30 20 DBED CCn1cc(C#N)c(=O)n(Cc2coc(S(N)(=O)=O)c2)c1=O 594884081 YLCRTVFEECDDQI-UHFFFAOYSA-N 324.318 -0.810 30 20 DBED C=CCCSCCNC(=O)NCCNS(=O)(=O)N(C)C 596613667 GSCCKSCVHDVHCV-UHFFFAOYSA-N 324.472 -0.009 30 20 DBED CS(=O)(=O)NC1CN(C(=O)C(=O)Nc2cccc(C#N)c2)C1 600032217 KIXDYIMJJXTPFG-UHFFFAOYSA-N 322.346 -0.743 30 20 DBED C[C@H](C(=O)N(C)CCC#N)n1cc(CN2CCNCC2)nn1 603187417 AFSPVBSCKMDLJY-GFCCVEGCSA-N 305.386 -0.384 30 20 DBED COCCN1C[C@H](C(=O)NC2CCN(CC#N)CC2)CC1=O 609328858 PQBFSPBDGRGNBB-GFCCVEGCSA-N 308.382 -0.415 30 20 DBED C=CCN(C(=O)[C@H]1CCCN(S(N)(=O)=O)C1)[C@H](C)COC 617583993 UTANYHXEACPWGW-NEPJUHHUSA-N 319.427 -0.049 30 20 DBED C=CCn1cc(C(=O)N(C)C[C@H](O)CN2CCOCC2)nn1 648815458 RVHFSOPWSJAMRN-LBPRGKRZSA-N 309.370 -0.771 30 20 DBED COCCCNC(=O)[C@@H](C#N)C(=O)[C@H]1CC(=O)N(C2CC2)C1 729186859 OPRPBRNAXWIQQB-JQWIXIFHSA-N 307.350 -0.141 30 20 DBED C#C[C@@H](NC(=O)NCCS(=O)(=O)NC(C)C)[C@H]1CCCO1 773278219 XYDRRLQQLMTKND-VXGBXAGGSA-N 317.411 -0.206 30 20 DBED COC[C@H](C#N)OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 784957472 LRWPOAKEOBQRRE-NSHDSACASA-N 323.330 -0.082 30 20 DBED C#CCNC(=O)COC(=O)[C@@H]1CCCN1C(=O)C(F)(F)F 786588393 MSPXYAQLOUHJRJ-QMMMGPOBSA-N 306.240 -0.168 30 20 DBED C=CCN1CC[C@H](OC(=O)CN2CCCS2(=O)=O)C1=O 798599135 PBRNLSUIESSSFL-JTQLQIEISA-N 302.352 -0.648 30 20 DBED C[C@H](C(=O)NS(=O)(=O)CC1(C#N)CCC1)n1cnc(C#N)n1 798856512 MVONSBLMYGMAMD-SECBINFHSA-N 322.350 -0.149 30 20 DBED C=C[C@H](O)C(=O)O[C@@H](C(=O)N1CCN(C(C)=O)CC1)C(C)C 814547756 GRVRAATVRDFZKS-QWHCGFSZSA-N 312.366 -0.208 30 20 DBED CC(C)OC[C@H](C(=O)O)N(C)S(=O)(=O)N(C)CCC#N 827021765 JGYCMCOVQMLRRO-SNVBAGLBSA-N 307.372 -0.113 30 20 DBED C#CC[C@@H](CO)NS(=O)(=O)N1CCC(C(=O)OCC)CC1 882342862 IYUCSEOJXLDMTE-LBPRGKRZSA-N 318.395 -0.520 30 20 DBED C#CC1(O)CN(C(=O)CN2CCN(C(=O)OC(C)(C)C)CC2)C1 890525783 JRYFGAOPJOSMOD-UHFFFAOYSA-N 323.393 -0.254 30 20 DBED C=CCNC(=O)COC(=O)c1cc(S(=O)(=O)N(C)C)c[nH]1 915240969 MCXRTEJSOXHUQZ-UHFFFAOYSA-N 315.351 -0.276 30 20 DBED C#CCN1CCC[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)CC)C1 923559094 FBCPTMGELXQCEV-VXGBXAGGSA-N 301.412 -0.472 30 20 DBED Cc1c(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)[C@@H](C)C#N)nnn1C 936712458 ZZFGYEDDHVTNBU-LSJOCFKGSA-N 302.338 -0.292 30 20 DBED COCCn1cc(C(=O)N[C@H]2CCN(C(=O)[C@@H](C)C#N)C2)nn1 937947121 ZSCXYTIFYYOABN-QWRGUYRKSA-N 320.353 -0.585 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)c3cnnn3C)C2)nc1 940226540 CPBREWYNUVIJOP-GFCCVEGCSA-N 324.344 -0.164 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)Cc3nc[nH]n3)C2)nc1 942470861 ISVKJVUCTGPXAM-GFCCVEGCSA-N 324.344 -0.246 30 20 DBED C#CCN1CC[C@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)[C@@H](C)C1 944651080 CVRFYXSVQSPWDT-RYUDHWBXSA-N 320.393 -0.223 30 20 DBED C#CCN1CC[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)C[C@H]1C 948010395 BGNOPUZKKPIUET-VXGBXAGGSA-N 306.366 -0.517 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H](NC(=O)c2nccnc2N)C1 951865486 SGXSPVHWAFEPHZ-VHSXEESVSA-N 302.338 -0.061 30 20 DBED C=C(C)CN1C[C@H](CNC(=O)c2ccc3nn[nH]c3n2)[C@@H](O)C1 958121861 MXGAWKKGXSJOJW-GWCFXTLKSA-N 316.365 -0.049 30 20 DBED CC(C)(C)n1cc(C(=O)NC[C@H]2CN(CC#N)C[C@H]2O)nn1 958126061 HCFGGDJRVQKFLW-CMPLNLGQSA-N 306.370 -0.421 30 20 DBED C=CCCN1C[C@@H](O)[C@@H](CNC(=O)c2cc(=O)n(C)cn2)C1 958150207 ZWKTUNUNPCBOGA-WCQYABFASA-N 306.366 -0.621 30 20 DBED C#CCN1C[C@H](CNC(=O)c2nc(OC)cc(OC)n2)[C@@H](O)C1 958182504 BMLNDOQZBWHWIB-QWRGUYRKSA-N 320.349 -0.851 30 20 DBED N#Cc1ccc(F)cc1CN1C[C@@H]2C(NC(=O)C(N)=O)[C@H]2C1 961635863 HAAFSZSHJGHDOA-RYUDHWBXSA-N 302.309 -0.271 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CC[C@@H](CNC(=O)c3cnon3)O2)C1 965557888 HZYOQGHPDBFUQB-UWVGGRQHSA-N 319.321 -0.281 30 20 DBED C[C@H](C#N)C(=O)N1CC(N2CCN(C(=O)c3cnco3)CC2)C1 967228307 LFDLUKBAZJWBHI-LLVKDONJSA-N 317.349 -0.197 30 20 DBED C[C@H]1CCN(CC#N)C[C@H]1NC(=O)CN1C(=O)NC(C)(C)C1=O 968613726 FMHFZLPRGSETPN-WDEREUQCSA-N 321.381 -0.333 30 20 DBED CN(Cc1nc(=O)n(C)[nH]1)[C@@H]1CCN(C(=O)C#CC2CC2)C1 971512388 CJVXWEVVOLZAIS-GFCCVEGCSA-N 303.366 -0.446 30 20 DBED CC(=O)N1CCOC[C@@H]1C(=O)N1C[C@H]2CC[C@H]1CN2CC#N 972131630 PVGQMCGAWQAZCI-HZSPNIEDSA-N 306.366 -0.568 30 20 DBED CN1C(=O)CC[C@@H]1CC(=O)N1CC[C@]2(CN(CC#N)CCO2)C1 972492858 SQZFHUBMWNZRCV-CJNGLKHVSA-N 320.393 -0.176 30 20 DBED C=CCCN1CCO[C@@]2(CCN(C(=O)[C@@H]3CNC(=O)N3)C2)C1 972526427 JQHHUFIURUQGPK-WFASDCNBSA-N 308.382 -0.453 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CNC(=O)N3)[C@@H]2C1 974944758 ICCQITPHUOWIMH-GRYCIOLGSA-N 320.393 -0.061 30 20 DBED C=CCN1C[C@H]2[C@H](CNC(=O)[C@@H]3CC(=O)N(CCOC)C3)[C@H]2C1 978241412 ILWQNYPNUROALI-TUVASFSCSA-N 321.421 -0.039 30 20 DBED Cn1nnc2c1C[C@H](C(=O)NC[C@H]1[C@@H]3CN(CC#N)C[C@H]13)CC2 978649146 FJQYMIBVMVYNNZ-LPWJVIDDSA-N 314.393 -0.262 30 20 DBED C#CCCN1CCCN(C(=O)[C@@H]2CN(C(C)=O)CCO2)CC1 989585922 CRBLIBBRRWIANM-HNNXBMFYSA-N 307.394 -0.209 30 20 DBED CN1CCC[C@H]1C(=O)NC1CN(C(=O)c2c[nH]c(C#N)c2)C1 990516337 IUEGJJOXDHJLRW-ZDUSSCGKSA-N 301.350 -0.079 30 20 DBED Cc1nc(CC(=O)N2CC(NC(=O)c3ccc(C#N)[nH]3)C2)n[nH]1 990886601 CYZNYIVQWOJEHU-UHFFFAOYSA-N 313.321 -0.504 30 20 DBED Cn1nccc1CC(=O)NC1CN(C(=O)c2ccc(C#N)[nH]2)C1 991059540 AKLAJPKURMBXMO-UHFFFAOYSA-N 312.333 -0.197 30 20 DBED C#CCN1CCC(C(=O)N[C@@H]2CCN(C(C)=O)C[C@@H]2O)CC1 991544317 NEXAURXUIYLYGC-CABCVRRESA-N 307.394 -0.571 30 20 DBED C=CC(C)(C)C(=O)N1CC(NC(=O)C[C@@H]2NC(=O)NC2=O)C1 994744570 LXRQKTDLICCWRW-VIFPVBQESA-N 308.338 -0.876 30 20 DBED C=CCN1CC[C@H](n2cc(CNC(=O)[C@H]3COCCO3)nn2)C1 999957234 UOIFPLJRYYTUBO-UONOGXRCSA-N 321.381 -0.258 30 20 DBED C[C@H](C#N)C(=O)N1CCNC(=O)CCN(C(=O)[C@@H]2C[C@H]2C)CC1 1001764108 QWKWSWIJCDELSZ-JHJVBQTASA-N 320.393 -0.021 30 20 DBED N#CCN1CC[C@H](NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 1014423325 GISUBUZIHBNKHO-MNOVXSKESA-N 302.338 -0.523 30 20 DBED C#CCCN1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CN(C(C)=O)CCO1 1018226556 LLUDKJIWFZLQEE-OWCLPIDISA-N 319.405 -0.068 30 20 DBED C[C@H]1CCN(CC(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2O)C1 1025685576 OJFPDTIYMREEPN-NWANDNLSSA-N 319.405 -0.571 30 20 DBED N#Cc1ccc(C(=O)NC2CN(CCN3CCNC3=O)C2)[nH]1 1030224247 JSJJVAMQBPTRIB-UHFFFAOYSA-N 302.338 -0.674 30 20 DBED N#CCN1CCO[C@H](CNC(=O)c2cccn3c(O)nnc23)C1 1035572008 OMQBEDKPQLCPDH-SNVBAGLBSA-N 316.321 -0.611 30 20 DBED C#CCCN1CC[C@@H]1CNC(=O)c1cn(CC(=O)N(C)C)nn1 1039048817 AVXJCAOITDDSFY-GFCCVEGCSA-N 318.381 -0.806 30 20 DBED C#CCCCC(=O)NC[C@@]1(O)CCN(C(=O)c2ccnn2C)C1 1039572577 ADHQKBDOBTWIKB-INIZCTEOSA-N 318.377 -0.083 30 20 DBED C#CCCCC(=O)NC[C@@]1(O)CCN(C(=O)Cn2cncn2)C1 1039575562 AUUSESVQWRQZTL-HNNXBMFYSA-N 319.365 -0.839 30 20 DBED COCC(=O)N1CC[C@@H]2OCCN(c3ccnc(C#N)n3)[C@H]2C1 1039989561 GLZFXJBWIDENSL-RYUDHWBXSA-N 317.349 -0.199 30 20 DBED C=C(C)CCC(=O)NC[C@@]1(O)CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 1040041244 UQTAFLNDFGCNDU-WQGACYEGSA-N 323.393 -0.456 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)C2CCN(C)CC2)C1 1040211661 JDJHHLMDBVFUGQ-BLLLJJGKSA-N 322.409 -0.433 30 20 DBED Cc1n[nH]cc1C(=O)NC[C@@]1(O)CCN(C(=O)[C@@H](C)C#N)C1 1040464084 NZFZLNYGPAAFNO-XPTSAGLGSA-N 305.338 -0.429 30 20 DBED C[C@@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)Cc2ccon2)C1 1040759775 CXRQCOQJWSMEEW-IINYFYTJSA-N 306.322 -0.544 30 20 DBED CCN(CC)CC(=O)N1CC[C@](O)(CNC(=O)[C@H](C)C#N)C1 1040760051 LWHTWYIDHSZPEF-DOMZBBRYSA-N 310.398 -0.433 30 20 DBED N#Cc1nccnc1N1C[C@@H](O)[C@H](NC(=O)c2ccsn2)C1 1041207100 IILYIPUZSKBYHZ-GHMZBOCLSA-N 316.346 -0.216 30 20 DBED C=CCCCC(=O)N1CC(O)(CNC(=O)[C@H]2COCCO2)C1 1041603562 KTIHIFJAQDJYQE-GFCCVEGCSA-N 312.366 -0.552 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCCOC2)C1 1041989486 MGKYURUQVIZJTP-GFCCVEGCSA-N 312.366 -0.695 30 20 DBED C=CCCO[C@H](C)C(=O)N1CC(O)(CNC(=O)c2ncc[nH]2)C1 1042931699 UPCPTEZYUPBQAU-LLVKDONJSA-N 322.365 -0.306 30 20 DBED COCCC1(C(=O)N2CC(O)(CNC(=O)C#CC3CC3)C2)CC1 1042960968 QSUJVYSGPWBQJV-UHFFFAOYSA-N 320.389 -0.094 30 20 DBED Cc1nc(C(=O)N[C@@H]2CN(c3ccnc(C#N)n3)C[C@@H]2O)co1 1043914817 VEFAXDGAHMAYBO-KOLCDFICSA-N 314.305 -0.376 30 20 DBED C=CCN1CC[C@@H](N2CC(N(C)C(=O)Cn3ccnc3)C2)C1=O 1044365572 UUXKSJZZUUKRHG-CQSZACIVSA-N 317.393 -0.187 30 20 DBED C[C@@H]1OCCO[C@@H]1C(=O)N1CCN([C@H]2CCN(CC#N)C2)CC1 1046037382 YNTZDXDPEPQXCM-KKUMJFAQSA-N 322.409 -0.468 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)[C@@]2(C)CCNC2=O)C1 1046637753 YSYQPOLXKKBJCE-AWEZNQCLSA-N 309.366 -0.832 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 1047034429 FTEGXKHKFWZKKH-KKOKHZNYSA-N 307.350 -0.597 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC(=O)NC2)C1 1047439185 AIPGDLGCSVPICN-WOPDTQHZSA-N 315.801 -0.231 30 20 DBED CN(C(=O)Cn1ncc2cccnc21)[C@H]1CN(CC#N)C[C@@H]1O 1047459871 GXKHSEZBSGZVOQ-STQMWFEESA-N 314.349 -0.542 30 20 DBED C=CCO[C@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)COCC)C1 1048147871 VNDUZSPVWDXTQR-AGIUHOORSA-N 314.382 -0.356 30 20 DBED C=CCO[C@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CSC)C1 1048184291 NPCDEAUBMMDOLS-WOPDTQHZSA-N 316.423 -0.029 30 20 DBED CN(C)CCC(=O)N(C)[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 1049435902 WCWBFJMRSHLWHW-KBPBESRZSA-N 307.394 -0.618 30 20 DBED C[C@@H]1[C@@H](NC(=O)c2cn(C)nn2)CCN1c1cncc(C#N)n1 1050240188 KPFGESSBKWZEBS-KOLCDFICSA-N 312.337 -0.126 30 20 DBED C[C@@H]1[C@@H](NC(=O)[C@@H]2CNC(=O)N2)CCN1c1ccc(C#N)nc1 1050952534 SYLDSSNXWJGOCP-ICCXJUOJSA-N 314.349 -0.282 30 20 DBED N#CCN1CCOC[C@@H]1CNC(=O)[C@@H]1CCc2n[nH]cc2C1 1051205468 YBKIQELCCXSNAF-YPMHNXCESA-N 303.366 -0.145 30 20 DBED C[C@H](C(N)=O)N1CC2(CN(C(=O)c3ccc(C#N)[nH]3)CCO2)C1 1053217607 XMEIZLWCCPKDOH-SNVBAGLBSA-N 317.349 -0.713 30 20 DBED C#CCN1CC2(C1)CN(C(=O)c1cc(COC)on1)CCO2 1053461709 WKCCURKQKAMSCE-UHFFFAOYSA-N 305.334 -0.019 30 20 DBED C#CCN[C@H]1CN(C(=O)Cc2ccc(C(N)=O)nc2)C[C@@H]1C 1054798670 XUNGIIXNDQRAQJ-FZMZJTMJSA-N 300.362 -0.207 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)Cn1cccn1 1056965582 XEQYESBCHYTIPV-UHFFFAOYSA-N 306.366 -0.376 30 20 DBED C=CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)c1ccon1 1057096165 MVYLUQKRGBAAOX-NSHDSACASA-N 311.338 -0.184 30 20 DBED C#CCOCCC(=O)NCCN(CCO)C(=O)c1cocn1 1057201634 JMSGHVXOCORRIT-UHFFFAOYSA-N 309.322 -0.735 30 20 DBED N#Cc1cncc(NC2CCN(C(=O)[C@@H]3COC(=O)N3)CC2)n1 1057320333 BBUKCQLZTQXYRK-NSHDSACASA-N 316.321 -0.140 30 20 DBED CO[C@H](C)C(=O)NCCN(CCO)C(=O)c1c[nH]c(C#N)c1 1057392072 YTABWUZCTRGQPT-SNVBAGLBSA-N 308.338 -0.528 30 20 DBED C=CC(C)(C)C(=O)NCCN(CCO)C(=O)CCn1ccnn1 1057436601 WLLLGRCSHAKGCF-UHFFFAOYSA-N 323.397 -0.183 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)c1[nH]c(O)nc1C 1057887786 MJARDPZZTIBAJJ-UHFFFAOYSA-N 322.365 -0.222 30 20 DBED Cn1c(C(=O)N(CCO)CCNC(=O)C#CC2CC2)cnc1O 1058299210 YDRHHCWKLBJTRR-UHFFFAOYSA-N 320.349 -0.910 30 20 DBED C=C[C@H](C)[C@@H](C)C(=O)NCCN(CCO)C(=O)Cc1nc[nH]n1 1058891455 HVOHCGBSNVVHBS-NWDGAFQWSA-N 323.397 -0.258 30 20 DBED C[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(C#N)n1)n1cncn1 1062477453 MXXMONGXWUAION-WOPDTQHZSA-N 324.348 -0.010 30 20 DBED N#Cc1nc(=NCCC2CCN(C(=O)C(N)=O)CC2)cc[nH]1 1063334842 NXWFAPRQQUMRMT-UHFFFAOYSA-N 302.338 -0.704 30 20 DBED C=CCn1cc(C(=O)N2CCO[C@H](CNC(=O)CC)C2)nn1 1065166033 ZNIXQUZEGSSRQU-LLVKDONJSA-N 307.354 -0.169 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CN(C(=O)c2ncccn2)CCO1 1065511602 GPLNVYRRRJGTJZ-MNOVXSKESA-N 303.322 -0.407 30 20 DBED CCc1nc(C#N)cc(N2C[C@H]3CN(C(=O)C(N)=O)C[C@H]3C2)n1 1066057845 FFLNELKCBSSSHU-AOOOYVTPSA-N 314.349 -0.709 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC2(C[C@@H](NC(=O)COC)CO2)C1 1068656466 PDGRDZLYLXEHLD-NWDGAFQWSA-N 310.350 -0.843 30 20 DBED C=CCOCC(=O)N[C@H]1COC2(C1)CN(C(=O)c1cnon1)C2 1068763888 DYHZLWGTXFGODM-SNVBAGLBSA-N 322.321 -0.628 30 20 DBED CC(=O)NCC(=O)N1CC2(C[C@H](NC(=O)C#CC3CC3)CO2)C1 1068859850 WYCUTQWDDSVQHL-ZDUSSCGKSA-N 319.361 -0.978 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)[C@@H]2[C@H]3COC[C@H]32)CCOCC1 1070233799 FINQZHNNBADLCE-WUHRBBMRSA-N 321.377 -0.180 30 20 DBED Cn1cncc1[C@@H]1CN(C(=O)c2ncccn2)C[C@H]1NCC#N 1070704610 AGKRHCFFGMWBHU-VXGBXAGGSA-N 311.349 -0.069 30 20 DBED C=CCCN1C[C@H]2C[C@H]3CN(C(=O)Cn4ncnn4)C[C@@]3(C1)O2 1070799952 OTNRHVZBEUBDFL-GZBFAFLISA-N 318.381 -0.449 30 20 DBED C#CCN1CC[C@@]2(C1)CN(C(=O)CCn1ccnn1)C[C@@H](C)O2 1071159369 LAHLSUKFYNMRCN-GDBMZVCRSA-N 317.393 -0.007 30 20 DBED C#CCN1C[C@H](NC(=O)c2cnc(O)n(C)c2=O)CC[C@@H]1C 1071734866 BZMPACKCQRBEQZ-WDEREUQCSA-N 304.350 -0.298 30 20 DBED C#CCN1C[C@H](NC(=O)Cn2nc(C)n(C)c2=O)CC[C@@H]1C 1072034309 WBHIUFYIZHCMKZ-WCQYABFASA-N 305.382 -0.507 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CN(C(=O)C2(C)CC2)C[C@@H]1C 1072250427 QTKUKHRIIPRCTH-RYUDHWBXSA-N 305.378 -0.111 30 20 DBED CNC(=O)NCC(=O)N1C[C@H](C)[C@H](NC(=O)C#CC(C)(C)C)C1 1072268662 QPIPYLXLIZRZLE-NWDGAFQWSA-N 322.409 -0.072 30 20 DBED C[C@H](C(N)=O)N1CCC2(CN(C(=O)c3ccc(C#N)[nH]3)C2)C1 1072634653 GACSXDQHQQJPSI-SNVBAGLBSA-N 301.350 -0.092 30 20 DBED C=C(Cl)CN1CCCO[C@H](CNC(=O)[C@H]2CNC(=O)N2)C1 1073752498 YKXXVDHSZMFPQX-GHMZBOCLSA-N 316.789 -0.373 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)c2ccc(C(N)=O)nc2)C1 1073908222 DUVNRFIXOILNHV-CYBMUJFWSA-N 316.361 -0.366 30 20 DBED C=CCN1CCO[C@H]2CCN(C(=O)CN3C(=O)CNC3=O)C[C@@H]21 1074399999 NAHBFRFWSDAFNF-RYUDHWBXSA-N 322.365 -0.974 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CCN(C(=O)c2cc[nH]n2)CC1 1074488745 DFPPXLVGXWZELR-JTQLQIEISA-N 305.338 -0.347 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CCN(C(=O)CN2CCCC2)CC1 1074594355 WIVINLVEXLALCW-ZDUSSCGKSA-N 322.409 -0.288 30 20 DBED C#CCCCCC(=O)NCC[C@H](C)NC(=O)[C@@H]1CNC(=O)N1 1076210264 IMMGLOKOBHPEAT-RYUDHWBXSA-N 308.382 -0.128 30 20 DBED C#CCN1C[C@@H]2CCN(C(=O)CN3CC(=O)N(C)C3=O)[C@@H]2C1 1076456306 KIDWYBKCZLUYLA-NWDGAFQWSA-N 304.350 -0.954 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)n2nnnc2C(C)(C)C)C1 1077110459 SKAZAFJHVXEXJU-IJLUTSLNSA-N 322.413 -0.121 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)CNC(C)=O 1077124047 LHMHTVVXAPHHPQ-JSGCOSHPSA-N 322.409 -0.769 30 20 DBED C#CCCCC(=O)N[C@@H](C)CCNC(=O)CN1CCNC(=O)C1 1077721812 ODRUGCVRXMTDCT-ZDUSSCGKSA-N 322.409 -0.767 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC(=O)N(C)C2)C1 1078234290 RGTYIRIQHIGJAK-MGPQQGTHSA-N 309.410 -0.018 30 20 DBED C=CCCC(=O)N1CC(N(CC)C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 1079788349 AWLOLOPNPRLPHM-NSHDSACASA-N 322.365 -0.390 30 20 DBED N#CCSCC(=O)NC[C@@H]1CN(C(=O)CCCF)C[C@@H]1O 1081289311 KNQQYHUYRWLHHM-MNOVXSKESA-N 317.386 -0.072 30 20 DBED C=CCOCC(=O)N1C[C@H](CNC(=O)COC(C)C)[C@@H](O)C1 1081322699 YAKQQHVNRZBZIT-STQMWFEESA-N 314.382 -0.451 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)c2cccnn2)C[C@@H]1O 1081334767 CICMOUXBYPXEDP-AAEUAGOBSA-N 304.350 -0.008 30 20 DBED C=CCCC1(C(=O)N2C[C@H](CNC(=O)CC(N)=O)[C@@H](O)C2)CC1 1081368874 UFRDSUOXDDTSBC-RYUDHWBXSA-N 323.393 -0.456 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@H](CNC(=O)C2=CCOCC2)C1 1081428657 TYVDEIHVQZGAJJ-CABCVRRESA-N 320.389 -0.072 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)c2cnn[nH]2)C[C@@H]1O 1081439169 MPZFIMGWRTYHAK-JQWIXIFHSA-N 305.338 -0.843 30 20 DBED Cc1ocnc1C(=O)N1C[C@@H](O)[C@@H](CNC(=O)C#CC2CC2)C1 1081471145 JTDXNDLKHBREES-QWHCGFSZSA-N 317.345 -0.054 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(C(=O)C#CC(C)C)C[C@H]1O 1081488410 HYRCPMHPTSOLQB-HUUCEWRRSA-N 320.389 -0.379 30 20 DBED CC#CCN1C[C@@H](NC(=O)C[C@H]2CCCC(=O)N2)[C@H](OC)C1 1081924644 JCLBBYCMIKTGAT-MGPQQGTHSA-N 307.394 -0.116 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1ccn(C)c(=O)c1 1083123769 RTLYCQGBRIZJGP-LSDHHAIUSA-N 315.373 -0.066 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2ccc3nc(O)oc3c2)C1 1084093396 SPMCOJUKABRUSZ-NEPJUHHUSA-N 301.302 -0.059 30 20 DBED CCN(c1cncc(C#N)n1)[C@H](C)CNC(=O)CCNC(N)=O 1089650955 XQAJIIBSIUJHMR-SNVBAGLBSA-N 319.369 -0.262 30 20 DBED CNC(=O)CC(=O)N[C@H](C)CCCCN=c1cc[nH]c(C#N)n1 1090079772 MIMOCMAHWYHKKQ-LLVKDONJSA-N 318.381 -0.007 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2cnn(CCOC)c2)[C@H](O)C1 1090767145 HWHSJBPZPVYDMX-HUUCEWRRSA-N 320.393 -0.282 30 20 DBED CNC(=O)c1cccc(C(=O)N[C@@H]2CCN(CC#N)C[C@H]2O)c1 1090823988 MWZHGBRMPCBJGW-ZIAGYGMSSA-N 316.361 -0.265 30 20 DBED CCCC[C@H](NC(N)=O)C(=O)NCCN=c1cc[nH]c(C#N)n1 1093705147 WRMCXBSAGXSKGY-JTQLQIEISA-N 319.369 -0.475 30 20 DBED CN(CC(=O)NCCNc1nccnc1C#N)C(=O)C1CC1 1094190457 JUUAJKPCVXBLAR-UHFFFAOYSA-N 302.338 -0.255 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)c3[nH]c(O)nc3C)CC2=O)C1 1094746956 FHYVBUNINVUVLJ-SNVBAGLBSA-N 317.349 -0.928 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)Cn3cncc3C)CC2=O)C1 1094760279 RWWDDUGMJMWLDL-ZDUSSCGKSA-N 315.377 -0.774 30 20 DBED CC#CCN1CC(N2C[C@H](NC(=O)Cn3ccnc3)CC2=O)C1 1094823510 WNYMJSGLRDWQJY-CYBMUJFWSA-N 315.377 -0.692 30 20 DBED C[C@H](C(=O)NCCCNc1nccnc1C#N)S(C)(=O)=O 1094876977 HYIBUCABDILWSD-SECBINFHSA-N 311.367 -0.300 30 20 DBED CN(C)CCOCC(=O)N1CC[C@@H](Nc2nccnc2C#N)C1 1095048713 LLISVVXVRCYHNG-GFCCVEGCSA-N 318.381 -0.061 30 20 DBED C[C@@H](CC(=O)N1CC[C@@H](N=c2cc[nH]cc2C#N)C1)NC(N)=O 1095062133 RVQDDLJFCPNZTP-CMPLNLGQSA-N 316.365 -0.165 30 20 DBED CCc1nc(C#N)cc(N(C)CCCNC(=O)CC(N)=O)n1 1095503024 RXWFTZLNAXJZGJ-UHFFFAOYSA-N 304.354 -0.271 30 20 DBED CN(CCCNC(=O)CN1CCOCC1)c1ccnc(C#N)n1 1095525797 IELVIIBANQYXSR-UHFFFAOYSA-N 318.381 -0.377 30 20 DBED N#CCSCC(=O)N[C@H]1CCN(c2nccn3nnnc23)C1 1096329002 LQMFYRBSSFYXJK-VIFPVBQESA-N 318.366 -0.529 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cn1ccc(O)nc1=O 1097459186 PGFSSXRFFKSYGC-UTUOFQBUSA-N 302.334 -0.696 30 20 DBED CNC(=O)NCC(=O)NC[C@@H](C)N=c1cc(C)[nH]cc1C#N 1098338616 GABXXWCWOKTIOO-SNVBAGLBSA-N 304.354 -0.471 30 20 DBED C#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CN(C(C)=O)CCO2)C1 1099143439 XZGJEZUMVYDTBE-ZOBUZTSGSA-N 319.405 -0.162 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(CC(=O)NC(C)C)C[C@@H]1O 1099741243 PYRCVXQVCLMAEL-OLZOCXBDSA-N 313.398 -0.735 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)c2cc[nH]c2C)[C@H](O)C1 1099761012 QBESDZUATUNNAB-ZIAGYGMSSA-N 320.393 -0.210 30 20 DBED C#CCCCCC(=O)N[C@@H]1CCN(CC(=O)NCC)C[C@@H]1O 1099785199 BTPZSMKSDZPNMM-KGLIPLIRSA-N 309.410 -0.133 30 20 DBED CN(CCNC(=O)[C@@H]1CC(=O)NC(=O)N1)c1ccc(C#N)nc1 1100348615 WVZMZXZFCRCJPO-NSHDSACASA-N 316.321 -0.896 30 20 DBED CCN(CCNC(=O)Cn1nccn1)c1nccnc1C#N 1100626286 BGQBQPDCFZIARA-UHFFFAOYSA-N 300.326 -0.418 30 20 DBED CCN(CCNC(=O)[C@H](C)CC(N)=O)c1cncc(C#N)n1 1100694647 GYNJJEAZXCHCMB-SNVBAGLBSA-N 304.354 -0.198 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CCCN1c1ccc2nnnn2n1 1100809763 INEFYTNVJAQFSB-NXEZZACHSA-N 300.326 -0.236 30 20 DBED N#Cc1ccc(N(CCNC(=O)CNC(N)=O)C2CC2)nn1 1101280103 MEANXMMANUNLBJ-UHFFFAOYSA-N 303.326 -0.898 30 20 DBED N#Cc1nc(=N[C@@H](CNC(=O)CC(N)=O)c2ccccc2)cc[nH]1 1102166193 QSTIQOXCXVUIIC-LBPRGKRZSA-N 324.344 -0.085 30 20 DBED COC[C@@H](C)CC(=O)NC[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1102491361 RRUNPFCGPUVCCA-BFHYXJOUSA-N 324.425 -0.017 30 20 DBED CC(=O)N(C)CC(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(C#N)nn1 1102537234 FRTVQXMVODGHDF-STQMWFEESA-N 314.349 -0.384 30 20 DBED CC(=O)N1CCOC[C@@H]1C(=O)NCC[C@@H]1CN(CC#N)C[C@H]1C 1103739226 WVTWXSCIBIZNOX-BPLDGKMQSA-N 322.409 -0.169 30 20 DBED C[C@@H]1CN(C(=O)CCn2ncn(C)c2=O)C[C@H]1CCNCC#N 1104448310 GKKSQGCAGWGZEY-CHWSQXEVSA-N 320.397 -0.430 30 20 DBED COCC#CCNCC[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1C 1104518956 QUYTYTTZSOOHJK-CHWSQXEVSA-N 320.397 -0.452 30 20 DBED C#CCNCc1cn(C2CN(C(=O)[C@@H]3C[C@@H](C)CO3)C2)nn1 1105285994 ZYTJEDJWWVDXEM-RISCZKNCSA-N 303.366 -0.191 30 20 DBED Cc1ccc(C#N)c(N(C)CCN(C)C(=O)CNC(N)=O)n1 1105321831 MYXZGUQUGOIFPU-UHFFFAOYSA-N 304.354 -0.175 30 20 DBED CN(CCN(C)c1ccc(C#N)nn1)C(=O)[C@H]1CCC(=O)N1 1105352692 WDVUHKKUIFSLSK-LLVKDONJSA-N 302.338 -0.479 30 20 DBED C#CCN[C@@H]1C[C@@]2(C[C@H]1O)CN(C(=O)CNC(C)=O)[C@H]2C(C)C 1105588687 ZMMMDWVBHNDVAN-TXCZRRACSA-N 321.421 -0.278 30 20 DBED N#Cc1cncc(NC[C@H](O)CNC(=O)c2cnsn2)n1 1105723366 NMBAMYVFWSNSFR-QMMMGPOBSA-N 305.323 -0.597 30 20 DBED N#Cc1nc(=NC[C@H](O)CNC(=O)CC[C@H]2CCOC2)cc[nH]1 1105786266 IGBCPPDANPMVEZ-RYUDHWBXSA-N 319.365 -0.524 30 20 DBED Cc1[nH]nc(C(=O)NC[C@H](O)CNc2ccc(C#N)cn2)c1O 1105822789 VXDWWKJIFBDAHQ-SNVBAGLBSA-N 316.321 -0.107 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H](O)CN=c2cc[nH]cc2C#N)nc1 1105908085 HGTZOZVUONNDPH-AWEZNQCLSA-N 321.340 -0.046 30 20 DBED C[C@@H](CCNc1cnc(C#N)cn1)NC(=O)Cn1cnnn1 1106192775 JGGYEXJSEYUWOO-VIFPVBQESA-N 301.314 -0.658 30 20 DBED C[C@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)c1cnc(O)n1C 1106519061 HWUGJXVCOLINMB-SECBINFHSA-N 315.337 -0.170 30 20 DBED N#Cc1nc(=NC/C=C\CNC(=O)C(=O)NCC2CC2)cc[nH]1 1107310493 ZHIRSBYSJLYHSQ-UPHRSURJSA-N 314.349 -0.619 30 20 DBED C[C@H](C#N)C(=O)NC[C@]12CCC[C@H]1N(CC(=O)NC(N)=O)CC2 1107336141 ITIZFXSMRNXYDI-UEKVPHQBSA-N 321.381 -0.298 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)[C@H](C)n1cncn1 1108319919 MIUMZNFIISVETN-UWVGGRQHSA-N 300.326 -0.461 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C1CCOCC1 1108848699 OKOVKHGHEFLYKD-ILXRZTDVSA-N 319.405 -0.116 30 20 DBED C[C@H](CN(C)c1ccnc(C#N)n1)NC(=O)[C@@H]1COC(=O)N1 1108926987 OHYWWUAGFCWGKF-BDAKNGLRSA-N 304.310 -0.602 30 20 DBED C[C@@H](CN(C)c1nccnc1C#N)NC(=O)Cn1cnnc1O 1108944337 AOCJSBYUYJBNAF-VIFPVBQESA-N 316.325 -0.714 30 20 DBED N#Cc1ccc(NC[C@H](NC(=O)[C@@H]2CNC(=O)N2)C2CC2)nc1 1109960264 LDLRXGQTFCCYHO-RYUDHWBXSA-N 314.349 -0.059 30 20 DBED COC(=O)NCC(=O)NCC1(Nc2ccc(C#N)nn2)CC1 1110067177 ZFKBXLLTHLTTLF-UHFFFAOYSA-N 304.310 -0.235 30 20 DBED N#Cc1nccnc1N1CC[C@@](O)(CNC(=O)c2cn[nH]c2)C1 1111050073 GALPTINSJBNMNR-CQSZACIVSA-N 313.321 -0.557 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@]1(O)CCN(c2ncccn2)C1 1111063721 CLFLATMARCQVFY-GJZGRUSLSA-N 306.366 -0.139 30 20 DBED C[C@@H](Nc1cnc(C#N)cn1)[C@@H]1CCN(C(=O)CNC(N)=O)C1 1111205927 RJRSUJBVOYUNOM-NXEZZACHSA-N 317.353 -0.335 30 20 DBED CN(C)CCCC(=O)N(CCO)CCN=c1cc[nH]cc1C#N 1111551790 LZIUELAIHVWTPV-UHFFFAOYSA-N 319.409 -0.050 30 20 DBED CNC(=O)CC(=O)N(C)CCCN(C)c1ccc(C#N)nn1 1112070488 ROAIBMOEFPRJLN-UHFFFAOYSA-N 304.354 -0.231 30 20 DBED C=CCOCC(=O)N1C[C@H](C)[C@@H](Nc2nccn3nnnc23)C1 1112310131 GVRJOIYQKSZOME-QWRGUYRKSA-N 317.353 -0.019 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCN(CCN2CCNC2=O)CC1 1112814130 HMKFJXZBTLZRMO-HNNXBMFYSA-N 310.398 -0.517 30 20 DBED COC(=O)NCC(=O)NC1CC(CN=c2cc[nH]c(C#N)n2)C1 1112818017 MMZGSXTXDXMCPI-UHFFFAOYSA-N 318.337 -0.567 30 20 DBED C[C@@H](N=c1cc[nH]c(C#N)n1)[C@@H](C)NC(=O)c1cnnn1C 1113023288 FYYAOELYKIFLMN-RKDXNWHRSA-N 300.326 -0.482 30 20 DBED C[C@H](NC(N)=O)C(=O)NC[C@H](C)N(C)c1ccnc(C#N)n1 1113577878 MRTZMKCUPHGRBL-IUCAKERBSA-N 305.342 -0.654 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3c(C)ccn3C)[C@H]2C1 1114175866 MCFQBKCJSOIWKK-STQMWFEESA-N 314.389 -0.257 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)Cc3nnc(C)o3)[C@@H]2C1 1114217658 UDLLUHOWNPFSHN-VXGBXAGGSA-N 304.350 -0.383 30 20 DBED COCC#CCN1C[C@@H]2C(NC(=O)[C@H]3OCCO[C@H]3C)[C@H]2C1 1114422006 VPWQOWRHDLLLOC-ABHRYQDASA-N 308.378 -0.514 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3c(C)ncn3C)[C@H]2C1 1114432111 ZNCHBILDEIPGEM-IMRBUKKESA-N 317.393 -0.309 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)c3ccsn3)[C@@H]2C1 1114447666 SPCVYPOEJBSFIO-NXEZZACHSA-N 304.375 -0.448 30 20 DBED CN(C)CCC(=O)NCCOCCN(C)c1nccnc1C#N 1115251287 UGLTZVFCLAOFAB-UHFFFAOYSA-N 320.397 -0.131 30 20 DBED C=CCOCCN1C[C@H]2[C@H](NC(=O)CS(=O)(=O)CC)[C@H]2C1 1115300466 RZHWGMURDWUQAQ-IMRBUKKESA-N 316.423 -0.330 30 20 DBED C[C@@H](CN(C)C(=O)[C@H]1COCCN1C)Nc1cncc(C#N)n1 1115682081 GQOITGZRRROUKN-WCQYABFASA-N 318.381 -0.062 30 20 DBED C#CCn1ccc(CN(CC)C(=O)C(=O)N(C)CCCN)n1 1118511215 RNIPXKXUVUCEFM-UHFFFAOYSA-N 305.382 -0.328 30 20 DBED CN(C)C(=O)N1CCN(C(=O)C(=O)N2CCC[C@H](C#N)C2)CC1 1120471720 SUNRYXVNAQNXRI-GFCCVEGCSA-N 321.381 -0.426 30 20 DBED CCNC(=O)CCC(=O)NC[C@H](CO)Nc1ncccc1C#N 1121206042 TZSBKWSLZWLZPI-GFCCVEGCSA-N 319.365 -0.241 30 20 DBED CC#CCNC1CC2(C1)CC(NC(=O)C[C@@H]1NC(=O)NC1=O)C2 1121251231 PSEPGSZHDJZJEO-VDOARHDCSA-N 318.377 -0.375 30 20 DBED CCn1nccc1C(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1 1121376384 GZNOCGBISQVQRF-SNVBAGLBSA-N 315.337 -0.811 30 20 DBED CCC[C@H](OCC)C(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1 1122431222 UNWSHCIIIUIYMD-NEPJUHHUSA-N 321.381 -0.136 30 20 DBED CCc1n[nH]cc1C(=O)NC[C@@H](CO)Nc1ccc(C#N)nn1 1122828648 HWDKQBNRJWWYOE-JTQLQIEISA-N 315.337 -0.163 30 20 DBED CN(C[C@@H](O)CNc1cncc(C#N)n1)C(=O)c1cncnc1 1124329270 ILTHAJFZVDGPSS-LBPRGKRZSA-N 313.321 -0.317 30 20 DBED C#CCNC(=O)CC(=O)NCCNCc1cnc(OC)nc1C 1125977811 GTDHELZSNAAGFU-UHFFFAOYSA-N 319.365 -0.861 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CCCc2n[nH]cc21 1127339301 WBDDXGNXSVIPRV-NEPJUHHUSA-N 317.393 -0.327 30 20 DBED N#CCNCc1nnc2n1CC[C@@H](NC(=O)[C@@H]1CCOC1)CC2 1127958520 FPCGFIKVFOLFLN-NEPJUHHUSA-N 318.381 -0.251 30 20 DBED C=CCOCC(=O)NCc1cnn2c1CN(CC(N)=O)CC2 1128259791 SZYPSLWAJIMOMG-UHFFFAOYSA-N 307.354 -0.997 30 20 DBED C=CCOCCN[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1n1ccnn1 1129677361 FNNWLCSKCJPPKT-MJBXVCDLSA-N 318.381 -0.018 30 20 DBED Cc1cn2c(n1)C[C@H](C(=O)NCCNCC(=O)NCC#N)CC2 1130241148 QPKKFUKSXJBKHW-GFCCVEGCSA-N 318.381 -0.901 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CCN(C)C(=O)C1 1130367679 QOELTDUOMVPWAR-NWDGAFQWSA-N 310.398 -0.749 30 20 DBED C[C@H](C#N)C(=O)NCc1nc([C@H]2COCCN2CCF)n[nH]1 1130835877 SCQAYEBFOLISJS-NXEZZACHSA-N 310.333 -0.077 30 20 DBED CO[C@H]1C[C@@H](Cn2ccc(NC(=O)CC(N)=O)n2)N(CC#N)C1 1130870946 AVCOYFQDKAVTIT-QWRGUYRKSA-N 320.353 -0.690 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CCCN(C(C)=O)C1 1131016507 KCHMBXMQGNYDLX-TZMCWYRMSA-N 322.409 -0.911 30 20 DBED C=CCCN1C[C@H]2C[C@@H]3CN(C(=O)[C@H](C)NC(N)=O)C[C@@]3(C1)O2 1131216852 GDXIGXANWBWUCG-VPWBDBDCSA-N 322.409 -0.079 30 20 DBED N#Cc1cccc(CNCCNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)c1 1133771053 MCCKVIFTFLQEJF-UONOGXRCSA-N 316.361 -0.203 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)c1ccn(CC)n1 1134773580 SMLRDLNDALYIFO-UHFFFAOYSA-N 322.369 -0.766 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)c1ccnnc1 1135537162 XROYPWZMINCLAS-NEPJUHHUSA-N 303.366 -0.288 30 20 DBED C#CCCN[C@@H](C)C[C@H](C)NC(=O)CCn1cc[nH]c(=O)c1=O 1135686884 NEADZCKTXISJKK-STQMWFEESA-N 320.393 -0.177 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1cccc2nsnc12 1146274548 VNQOLIXKZIZSKZ-UHFFFAOYSA-N 318.362 -0.350 30 20 DBED C=CCOCCNCCNC(=O)c1cn([C@@H]2CCOC2)nn1 1147014803 KLAJDQADAPMLPQ-GFCCVEGCSA-N 309.370 -0.239 30 20 DBED N#CCNC(=O)CN1CCC2(C1)CN(C(=O)[C@H]1CCCCO1)C2 1147329244 PQNOXGUPEFLVTE-CYBMUJFWSA-N 320.393 -0.270 30 20 DBED N#CCNC(=O)CN1CCC2(C1)CN(C(=O)c1nccs1)C2 1148476948 BPVGBRAQXIBXFY-UHFFFAOYSA-N 319.390 -0.069 30 20 DBED CC1(C)CO[C@@H](CCC(=O)NCCNCC(=O)NCC#N)C1 1149063464 NDOPXUNPXDQTNI-LBPRGKRZSA-N 310.398 -0.073 30 20 DBED CCCNC(=O)CN1CCCO[C@H](CNC(=O)[C@@H](C)C#N)C1 1149405393 CBAYDFFLIRNKCX-QWHCGFSZSA-N 310.398 -0.121 30 20 DBED CNC(=O)[C@H](C)N1CCCO[C@H](CNC(=O)C#CC2CC2)C1 1149694020 GQTIKEYODUQBMC-GXTWGEPZSA-N 307.394 -0.259 30 20 DBED O=C(C#CC1CC1)NCCCNCCN1CCCS1(=O)=O 1157704953 FCONEMRCGBEZHU-UHFFFAOYSA-N 313.423 -0.469 30 20 DBED C[C@@H](C#N)C(=O)NCCC1=CCN([C@@H](C)C(=O)NC(N)=O)CC1 1159595428 YQVQQZFMPAEXQS-QWRGUYRKSA-N 321.381 -0.132 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@H]1CCCc2nccn21 1159923810 IHHQFPBTQICZAI-CYBMUJFWSA-N 317.393 -0.394 30 20 DBED C=C(Cl)CNCCCNC(=O)CNC(=O)CNC(C)=O 1161168005 MXNHKSTYNYRPSY-UHFFFAOYSA-N 304.778 -0.913 30 20 DBED CC(=O)N1CCO[C@H](C(=O)NCCC2=CCN(CC#N)CC2)C1 1161801236 DRRCVBUWOZVSRH-HNNXBMFYSA-N 320.393 -0.104 30 20 DBED C#CCNC(=O)CNCC1(CCNC(=O)CC(C)(C)O)CC1 1164366759 GKERDRNSTFFACR-UHFFFAOYSA-N 309.410 -0.227 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)NCCCNCCn1cncn1 1167677662 FJOBNUFJMCHUFO-CQSZACIVSA-N 322.413 -0.155 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)NCCCN[C@@H](C)C(=O)NC 1167677998 NVKDGGTWOWSVQW-WCQYABFASA-N 312.414 -0.312 30 20 DBED C=CCO[C@@H](C)C(=O)NCCCNCCNS(C)(=O)=O 1177277645 UTLMWAQJYVRBIW-NSHDSACASA-N 307.416 -0.777 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CCCCN2C)[C@H]1C 1179336868 DPPNENFMQTZNAM-KKUMJFAQSA-N 320.437 -0.201 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)Cc2ncc[nH]2)[C@H]1C 1179783425 OIBLWLQIFJHCMP-AGIUHOORSA-N 317.393 -0.331 30 20 DBED C=CCOCCN[C@@H]1CCN(C(=O)[C@@H](C)NC(=O)COC)C1 1182802672 MFAWWLRMJMFOEJ-CHWSQXEVSA-N 313.398 -0.469 30 20 DBED C[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@@]1(C)CNCC#N 1182917627 UITWHVUIRHQMMO-QMTHXVAHSA-N 307.354 -0.864 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)Cn2nccc2C)C1 1185977080 LGUAEEOYGTUMMA-CYBMUJFWSA-N 303.366 -0.869 30 20 DBED CC#CCN[C@H]1CCCO[C@@H]1C1CCN(C(=O)C(N)=O)CC1 1186137277 UNXOLRBURVTANV-UONOGXRCSA-N 307.394 -0.129 30 20 DBED N#CCNC[C@H]1CN(C(=O)[C@H]2COCCO2)CC12CCOCC2 1186265764 WHIPDEKSVKLHEE-UONOGXRCSA-N 323.393 -0.230 30 20 DBED C#CCNC[C@@H]1CN(C(=O)C2(C(N)=O)CC2)CC12CCOCC2 1186503416 GEUXEVADQYDRJC-CYBMUJFWSA-N 319.405 -0.270 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3[nH]nnc3C)[C@@H]2C1 1188739464 RGCLKFYRDLARGQ-NWDGAFQWSA-N 316.365 -0.991 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 1189389146 HOGXVAHCFDKEPH-ZIAGYGMSSA-N 306.410 -0.637 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2c[nH]nc2C)C1 1191641619 SLWOSBNSMYAQCC-GFCCVEGCSA-N 303.366 -0.386 30 20 DBED CN(CC(=O)NCC#N)[C@@H]1CCN(C(=O)[C@]2(C)CCCOC2)C1 1193065174 AWDQWCNORGUXNH-CZUORRHYSA-N 322.409 -0.024 30 20 DBED C#CCO[C@H](C)C(=O)N1CCCN(CCN2CCNC2=O)CC1 1195805998 IZIWUMGFTLTTBS-CQSZACIVSA-N 322.409 -0.416 30 20 DBED C[C@@H]1COCC[C@@H]1C(=O)N1CCCN(CC(=O)NCC#N)CC1 1197076328 FLXIGKHANHCIIP-KGLIPLIRSA-N 322.409 -0.167 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCCN(C(=O)c2nonc2C)CC1 1198372368 BXJWBMMQFFBIMT-GFCCVEGCSA-N 319.365 -0.336 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)CN2CCOCC2)C1 1198699112 JDMSXALPGGUFFC-RRFJBIMHSA-N 311.426 -0.308 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)CCc2cnn(C)c2)C1 1199017520 INVCZOXYHACJBO-HUUCEWRRSA-N 322.409 -0.283 30 20 DBED C#CCNC(=O)[C@H](C)NC1CCN(C(=O)[C@@H]2CCOC2)CC1 1199620773 AUGIVJFMEFRIKJ-QWHCGFSZSA-N 307.394 -0.259 30 20 DBED Cc1cn(C)nc1C(=O)N1CCC(NCC(=O)NCC#N)CC1 1200471742 IZHBTLWPYMYVMG-UHFFFAOYSA-N 318.381 -0.438 30 20 DBED N#CCNC[C@@H]1CN(C(=O)[C@@H]2CCCN2C(N)=O)CCCO1 1202236482 SNRCYEOTCUOMQO-NEPJUHHUSA-N 309.370 -0.740 30 20 DBED N#CCNC(=O)CNC1CCN(C(=O)[C@H]2C[C@]23CCOC3)CC1 1203229373 ORMOWYAPDXFGOM-CJNGLKHVSA-N 320.393 -0.367 30 20 DBED COCC#CCN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)Cn1cnnn1)C2 1203944148 UFHXETDWJWSWBJ-MGPQQGTHSA-N 318.381 -0.708 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)C(C)(C)NC(C)=O)C1 1210154954 PCHRZNMCTKGECY-CYBMUJFWSA-N 324.425 -0.216 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)c2cncnc2O)C[C@H]1C 1214927817 GDYBBDGRZFKZAQ-DGCLKSJQSA-N 304.350 -0.118 30 20 DBED C=CCCO[C@@H](C)C(=O)N1CCO[C@@H]2CN(CC(N)=O)C[C@@H]21 1217476030 QRYYAQNSUVJWQX-RWMBFGLXSA-N 311.382 -0.636 30 20 DBED CCCn1c(C)nnc1CN1C[C@H](O)[C@H](NC(=O)[C@H](C)C#N)C1 1219378876 HSFBDRUPQURGBM-RTXFEEFZSA-N 320.397 -0.183 30 20 DBED N#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@]23CCCC[C@@H]2C3)C1 1220308485 DRWIXSGRLGGYAK-FOCJUVANSA-N 320.393 -0.632 30 20 DBED C=CCC[C@H](C)N1C[C@H](O)[C@H](NC(=O)CS(=O)(=O)NC)C1 1220990924 HLTALWVHFOTEEG-TUAOUCFPSA-N 319.427 -0.948 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@H](CCCC)NC(N)=O)C1 1221159533 PXZHGHCRLNNCIB-XQQFMLRXSA-N 310.398 -0.602 30 20 DBED COCC#CCN1CC[C@@H]2CCN(C(=O)CNC(=O)OC)C[C@@H]21 1222352610 ZXHBANLQILJPLV-KGLIPLIRSA-N 323.393 -0.085 30 20 DBED COCC#CCN1CCC[C@@H]1C1CCN(C(=O)C(N)=O)CC1 1230592152 SXJABULIZACKBS-CQSZACIVSA-N 307.394 -0.176 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@H]1CN(C)C(=O)CN(C)C(C)=O 1230829124 JSDPPCIREOOOGV-JSGCOSHPSA-N 322.409 -0.865 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@H]1CN(C)C(=O)Cc1cc[nH]n1 1231407958 REOQHUUNIRCMNE-OCCSQVGLSA-N 317.393 -0.377 30 20 DBED CN(C[C@H]1CCN1CC(=O)NCC#N)C(=O)C1(N(C)C)CCC1 1235356687 YARRKCOXPMTYSV-CYBMUJFWSA-N 321.425 -0.357 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CC[C@H](CCCO)C2)nn1 1261448887 JNOCOLMNTIXUGQ-LBPRGKRZSA-N 321.381 -0.299 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCN(CC(=O)NC(C)C)C2)nn1 1318284122 MMOMZWGTFFWTMT-LBPRGKRZSA-N 320.397 -0.207 30 20 DBED CS(=O)(=O)CCNC(=O)C(=O)N1CCC(CC#N)CC1 1321734806 AJBLYDFBQLOXPI-UHFFFAOYSA-N 301.368 -0.701 30 20 DBED C=CC1CCN(C(=O)C(=O)NCCS(=O)(=O)NC)CC1 1322719519 RZFQKBDUNPSREA-UHFFFAOYSA-N 303.384 -0.924 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCC(OCCOC)CC1 1323258949 CZMGVKSJYGOBRT-UHFFFAOYSA-N 312.366 -0.594 30 20 DBED C#CC1CCN(C(=O)C(=O)NC[C@@H]2CN(C)CCN2C)CC1 1326409715 DUCDHLYXPZEGLG-CQSZACIVSA-N 306.410 -0.780 30 20 DBED C#CC1CCN(C(=O)C(=O)N2CCN(C(=O)N(C)C)CC2)CC1 1327022916 SZDGHEHQSZBQLK-UHFFFAOYSA-N 320.393 -0.316 30 20 DBED CNC(=O)[C@H](C)CN(C)C(=O)CCN/C(O)=C1\N=CC=CC1=O 1330777119 LWOZGPMDNOELCG-NIZNLAEJSA-N 322.365 -0.257 30 20 DBED CC[C@@H]1CN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CCO1 1332038053 SBYVSWOVLRQBRK-UONOGXRCSA-N 320.393 -0.177 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)N2CCCOCC2)CCN1C1CC1 1335547423 AUEZVBCKJBIXOP-ZDUSSCGKSA-N 306.366 -0.566 30 20 DBED C=CCN(C(=O)[C@H]1CCNC(=O)C1)[C@@H]1CCS(=O)(=O)C1 1340363528 HPPZZAXGZLDDCB-WDEREUQCSA-N 300.380 -0.286 30 20 DBED CN(C)c1ccc(CNC(=O)C(=O)N2CCO[C@H](C#N)C2)cn1 1340468796 VAIWWZRPADDOTF-GFCCVEGCSA-N 317.349 -0.485 30 20 DBED C=C(C)Cn1c(C[C@@H](C)O)nnc1N1CCO[C@H](C(=O)NC)C1 1342110794 GXXPKBFPDDHEQS-NEPJUHHUSA-N 323.397 -0.271 30 20 DBED C=C(C)Cn1c(CCO)nnc1N(C)CC(=O)N1CCOCC1 1342649016 GKQNZNNFDLMDSP-UHFFFAOYSA-N 323.397 -0.316 30 20 DBED C=CCN(CC=C)C(=O)C(=O)NCCCN1C(=O)CNC1=O 1346183281 JFCQJGKRAWKZPF-UHFFFAOYSA-N 308.338 -0.755 30 20 DBED COCCCN(C(=O)NCC#CCO)[C@@H]1CCS(=O)(=O)C1 1354184170 GXENBINUFMMBIF-GFCCVEGCSA-N 318.395 -0.783 30 20 DBED C=CCn1c(CCO)nnc1N1CCC(NC(=O)COC)CC1 1356152334 BJZAIJMSDWDWLZ-UHFFFAOYSA-N 323.397 -0.270 30 20 DBED CCO[C@@H]1COCC[C@@H]1NC(=O)Cn1cc(C#N)c(O)nc1=O 1362331846 XEXIBWSNSUAUPV-WDEREUQCSA-N 322.321 -0.869 30 20 DBED CCC(CC)[C@H](O)CNC(=O)Cn1cc(C#N)c(O)nc1=O 1362482555 SZPAODSVABGGKY-LLVKDONJSA-N 308.338 -0.266 30 20 DBED CN(C)S(=O)(=O)N[C@@H](CNC(=O)CC#N)C1CCCC1 1362716280 MIBKOVLIMSCRHQ-NSHDSACASA-N 302.400 -0.029 30 20 DBED Cc1cc(NC(=O)N(C)CCS(N)(=O)=O)nn1CCC#N 1365497689 XWSMKEFYDNVNID-UHFFFAOYSA-N 314.371 -0.143 30 20 DBED C[C@H](CNC(=O)CCn1ccnn1)NC(=O)c1ccc(C#N)[nH]1 1376862199 NYFVPNMXRJBSDP-SNVBAGLBSA-N 315.337 -0.197 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@H](NCC(=O)Nc2cnccn2)C1 1389835632 IVBSBBGLQFKPID-GMTAPVOTSA-N 302.338 -0.188 30 20 DBED C[C@@H](CNC(=O)c1ccc(C(N)=O)[nH]1)N(C)C(=O)[C@H](C)C#N 1395174758 GJVHWEFAONMHCB-BDAKNGLRSA-N 305.338 -0.150 30 20 DBED CC(C)[C@@H](NS(C)(=O)=O)C(=O)NCC1(C#N)CCOCC1 1412789923 WVDDBKLHQABEBF-LLVKDONJSA-N 317.411 -0.003 30 20 DBED Cn1nccc1[C@H]1CN(c2[nH]c(=O)n(C)c(=O)c2C#N)CCO1 1412923804 UHWXLDXZNGQLPK-LLVKDONJSA-N 316.321 -0.743 30 20 DBED COCCN(CCNC(=O)C1=COCCO1)C(=O)[C@H](C)C#N 1426055748 PPSPIFSUKHDUGB-LLVKDONJSA-N 311.338 -0.375 30 20 DBED C[C@H](NC(=O)CCn1cncn1)C1CN(C(=O)[C@H](C)C#N)C1 1426994617 CNRSDTFPXTXTSG-MNOVXSKESA-N 304.354 -0.209 30 20 DBED CCN(CCC#N)C(=O)CN[C@@H](C)CNC(=O)[C@@H]1CCC(=O)N1 1437244248 XEAXWFFGGYXIGD-RYUDHWBXSA-N 323.397 -0.879 30 20 DBED CN(C)CCn1cc(C(=O)NCCn2cnc(C#N)n2)cn1 1467839387 VOAQHCZIMDQULI-UHFFFAOYSA-N 302.342 -0.662 30 20 DBED C[C@@H](C#N)C(=O)NCCN1CCN(CCn2cccn2)CC1 1479927947 CNRNGWMPFFZHPM-AWEZNQCLSA-N 304.398 -0.223 30 20 DBED CC#CCN1CCC[C@@H](NC(=O)CNS(=O)(=O)CC)C1 1494271865 KFNFWUUNSJSLRZ-GFCCVEGCSA-N 301.412 -0.470 30 20 DBED CN1CCC[C@@H]1C(=O)N1CCC[C@H]1CNCC(=O)NCC#N 1499882221 IKTBCXMKGVEXER-QWHCGFSZSA-N 307.398 -0.699 30 20 DBED C[C@H](CNC(=O)[C@H](C)C#N)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 1573584579 YPPRFNMZWVTWFZ-HTQZYQBOSA-N 316.325 -0.411 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@H](Nc2cncc(-c3nn[nH]n3)n2)C1 1573585861 IYRNYMZDIOUKDC-CIUDSAMLSA-N 313.325 -0.125 30 20 DBED C#CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCN1Cc1cnn[nH]1 1574985274 ADTBCDPKRIFAJJ-KKUMJFAQSA-N 314.393 -0.313 30 20 DBED C=CCCC(=O)NC[C@@H](C)NC(=O)CC(=O)NCc1cnn[nH]1 1575085100 FLHNBNQQJYWICN-SNVBAGLBSA-N 322.369 -0.602 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N[C@@H]1CC2(CNC2)n2ccnc21 1575912844 RMSZLAYKWOAJFV-WDEREUQCSA-N 324.410 -0.305 30 20 DBED CC[C@H](NC(C)=O)C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[nH]1 1590462948 VLMNYMPHEJJELZ-LURJTMIESA-N 303.286 -0.685 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N1C[C@@H](C(=O)O)C[C@@H](O)C1 1592222116 RHXHBMWAGYGHQO-KXUCPTDWSA-N 305.356 -0.767 30 20 DBED N#Cc1cc(C(=O)NCCn2cnc(-c3nn[nH]n3)n2)ccn1 1592687847 KNPNOGDUVBIVOX-UHFFFAOYSA-N 310.281 -0.845 30 20 DBED C[C@]1(C#N)CCCN(C(=O)C(=O)N2CCO[C@H](CC(=O)O)C2)C1 1593740806 VVLZSBFCKOYCHE-IAQYHMDHSA-N 323.349 -0.159 30 20 DBED N#Cc1ccc(CNC(=O)CN2C[C@H](O)C[C@@H](C(=O)O)C2)cc1 1601100698 UXQYVNXQCBWCST-ZIAGYGMSSA-N 317.345 -0.058 30 20 DBED N#Cc1ccc(O[C@@H]2CCN(CCC(=O)NCC(=O)O)C2)nc1 1601109118 FZODQXMXILJOBK-GFCCVEGCSA-N 318.333 -0.003 30 20 DBED C#CCN(CC(=O)O)C(=O)C(=O)Nc1cccc(C(=O)OC)c1 1602678530 AWYVPHNAKIYRJB-UHFFFAOYSA-N 318.285 -0.042 30 20 DBED C#CCN(CC(=O)O)C(=O)[C@H](O)[C@H](O)c1nc2ccccc2[nH]1 1602679849 XJJRDXGPQCUQIX-QWHCGFSZSA-N 317.301 -0.496 30 20 DBED C=CCN1CC[C@@H](OC(=O)Cn2cccc(C(=O)O)c2=O)C1=O 1602901568 PNNSVSNNZDFOJE-LLVKDONJSA-N 320.301 -0.123 30 20 DBED N#CCN(CC(=O)O)S(=O)(=O)c1[nH]cnc1Br 1608184357 WGFYDWHORYQHJW-UHFFFAOYSA-N 323.128 -0.229 30 20 DBED CNS(=O)(=O)N1CCN(C(=O)c2csc(C#N)c2)CC1 1647254366 WOAZSPQQDJHPOG-UHFFFAOYSA-N 314.392 -0.158 30 20 DBED C#CCNC(=O)CN(C)CCNC(=O)c1ncc(C)cc1OC 1753052318 YJTNVOFUIXZMFT-UHFFFAOYSA-N 318.377 -0.190 30 20 DBED C#CCOCCC(=O)NC[C@H]1CCCN1Cc1ncnn1C 1753102475 KYOYSQNZBBPSEW-CYBMUJFWSA-N 305.382 -0.064 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC[C@@H]1CNC(=O)C(C)(C)C(N)=O 1753105258 ASOXSNBJPKDXHV-NWDGAFQWSA-N 322.409 -0.784 30 20 DBED C#CCNC(=O)[C@H](C)NC/C=C/CNC(=O)c1ccc(O)nc1 1754201624 IBRPWYUEGYQHIW-ITKZLYELSA-N 316.361 -0.199 30 20 DBED C#CCCNCCCN(C)C(=O)Cn1nc2n(c1=O)CCCC2 1754415463 NHCLQAJGJZKJOO-UHFFFAOYSA-N 319.409 -0.158 30 20 DBED N#CCNC(=O)CN1CC[C@@H]1CNC(=O)Cc1cncs1 1754486072 HOACBPWVNXUXSQ-SNVBAGLBSA-N 307.379 -0.484 30 20 DBED C=CC(C)(C)C(=O)NCC1(NCCNS(C)(=O)=O)CC1 1754529187 ZSSGVRNNSWHPSZ-UHFFFAOYSA-N 303.428 -0.014 30 20 DBED CN(C(=O)/C=C/c1ccc[nH]1)C1CN(CC(=O)NCC#N)C1 1754574464 SVMSKXSTTXEKOX-SNAWJCMRSA-N 301.350 -0.190 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)CCOCC#C)[C@@H](C)C1 1754595670 RNRRLGWWYMOKSP-GJZGRUSLSA-N 319.405 -0.255 30 20 DBED C=CCNC1(C)CCN(C(=O)CNS(=O)(=O)NC)CC1 1755131648 IXZQTWJOBFUJDI-UHFFFAOYSA-N 304.416 -0.803 30 20 DBED C=CCNC(=O)CN[C@@H]1C[C@H](C)N(C(=O)c2cn(C)c(O)n2)C1 1755679918 ASVAMYCDWZPXMX-WDEREUQCSA-N 321.381 -0.380 30 20 DBED C=CCCOCC(=O)NC1(CCO)CN(C(=O)c2cocn2)C1 1756084116 MRZKJMLQLIRMTD-UHFFFAOYSA-N 323.349 -0.040 30 20 DBED C=C1CC(C)(C(=O)NC[C@@H](CO)NC(=O)[C@@H](COC)OC)C1 1756547563 CGQNKSJSAIPGDP-NWDGAFQWSA-N 314.382 -0.403 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(CO)o1)CCO2 1783055417 ZDCJWRUIFDEIMM-MRXNPFEDSA-N 318.329 -0.151 30 20 DBED CN[C@H](CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CC#N)C(=O)O 1795460952 CPXRZHKELVBXTJ-WRWGMCAJSA-N 322.365 -0.399 30 20 DBED COC(=O)CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 17213599 WQEPIQRTPPJVKK-UHFFFAOYSA-N 311.319 -0.874 30 20 DBED O=C1CNC(/N=C(\O)CCn2c(=O)[nH]c(=O)c3ccccc32)=N1 50222880 RBJKQGBXLBESHB-UHFFFAOYSA-N 315.289 -0.478 30 20 DBED CCN(C[C@H](C)C#N)C(=O)CN1CCN(S(C)(=O)=O)CC1 52244372 VJQWEMUPMVBQPY-GFCCVEGCSA-N 316.427 -0.428 30 20 DBED C=CCOc1ccc(C(=O)NC(C(N)=O)C(N)=O)cc1OC 55274936 ZGWKJPLFSWEXCQ-UHFFFAOYSA-N 307.306 -0.671 30 20 DBED C=CCN(CC=C)C(=O)CN1CCNC(=O)[C@@H]1CC(=O)OC 66561713 LUHISEYWNUSUBU-LBPRGKRZSA-N 309.366 -0.450 30 20 DBED CCCN(CC(=O)O)S(=O)(=O)N(CCC#N)CCOC 263485623 MMYVHQGNDBLNQE-UHFFFAOYSA-N 307.372 -0.110 30 20 DBED C#CCN1CCC(C(=O)N(CC(=O)OC)CC(=O)OC)CC1 264069616 BJLYMOSGAHRARO-UHFFFAOYSA-N 310.350 -0.494 30 20 DBED COC[C@@H](C)N/C(N)=N/CCc1ccc(S(N)(=O)=O)cc1 264072486 GOQIYJWNSPSOFW-SNVBAGLBSA-N 314.411 -0.184 30 20 DBED N#C[C@H]1COCCN1S(=O)(=O)c1ccc(-n2cnnn2)cc1 266252145 XTIRWVFIPWRMKN-NSHDSACASA-N 320.334 -0.425 30 20 DBED C[C@@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)C1COC1 277085876 QYKYXAZSYXFTGC-SNVBAGLBSA-N 323.378 -0.413 30 20 DBED C#CCCS(=O)(=O)NCc1cccc(S(N)(=O)=O)c1 288964136 WTFXAXIAWJHNHX-UHFFFAOYSA-N 302.377 -0.223 30 20 DBED C=CCS(=O)(=O)CCNC(=O)[C@@H]1CC[C@H](C(=O)OC)O1 290645021 HKEGKYOBGMEOEK-VHSXEESVSA-N 305.352 -0.576 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 294335004 HLVULLMPECGAOL-AWEZNQCLSA-N 323.393 -0.972 30 20 DBED C=CC[C@H](CO)NC(=O)[C@@H]1C(C)[C@H]1C(=O)N[C@@H](CO)CC=C 295054489 BQXURGGDPCSRJE-AAVRWANBSA-N 310.394 -0.025 30 20 DBED C[C@@H](Nc1c(C#N)c(=O)n(C)c(=O)n1C)[C@@H](C)N1CCOCC1 301210220 UNXOSJHAWXVOGN-GHMZBOCLSA-N 321.381 -0.523 30 20 DBED C[C@@H]1C[C@H](N2CCOCC2)CN1/C(O)=N/[C@@H]1CC(=O)N(C)C1 329225223 GARAYWUAVJCEQR-UPJWGTAASA-N 310.398 -0.074 30 20 DBED CO[C@@H]1CN(/C(O)=N/[C@@H]2CS(=O)(=O)C[C@@H]2C)C[C@H]1OC 329611204 DHJVYUKCHNHEJY-LNFKQOIKSA-N 306.384 -0.321 30 20 DBED CN(C[C@H](O)CN1CCOCC1)/C(O)=N/[C@H]1CCCOC1 329702629 IGUVURHHNSANEU-STQMWFEESA-N 301.387 -0.296 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@H]1CCCC[C@@H]1O 330401736 UXQUCPSVWJHESC-RYUDHWBXSA-N 305.400 -0.014 30 20 DBED CNS(=O)(=O)CC/N=C(/O)N[C@H](C)C1=CCN(C)CC1 331258188 FHMYLXJZBFWVLM-SNVBAGLBSA-N 304.416 -0.310 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@](C)(COC)C(=O)OC 336949104 RGUUUFPWSBWQEB-CMPLNLGQSA-N 321.399 -0.120 30 20 DBED C=CCCCCNC(=O)N1CCN(CCS(N)(=O)=O)CC1 336973456 MOPLIKGLDGGPDN-UHFFFAOYSA-N 318.443 -0.042 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@@H](C)C(=O)NCCF 337180151 AHEQNMIITYBZSP-UWVGGRQHSA-N 308.379 -0.223 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCc2ccncc2)C1=O 339312563 BBJGPSKEFQUVRP-CYBMUJFWSA-N 316.361 -0.057 30 20 DBED C=C[C@H](CO)NC(=O)N[C@@H]1CCC[C@H]1CNS(C)(=O)=O 359099444 HBCBVEPWPGOGBB-HBNTYKKESA-N 305.400 -0.450 30 20 DBED C=CCNC(=O)NC(=O)CN1CCC[C@@H](S(=O)(=O)NC)C1 360539095 PVXJHPDUAHODSY-SNVBAGLBSA-N 318.399 -0.988 30 20 DBED C=CCNC(=O)NC(=O)CN1CCC(C)(C)S(=O)(=O)CC1 369322082 PJVBBOVFTPPGJV-UHFFFAOYSA-N 317.411 -0.103 30 20 DBED C#C[C@@H](C)N(C)C(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C 491565946 DDMRMKNNADNVMH-SECBINFHSA-N 302.334 -0.331 30 20 DBED C#C[C@H](NC(=O)C(=O)Nc1c(C(=O)OC)cnn1C)C(C)C 491655436 BWYIGRAVNVGRHM-JTQLQIEISA-N 306.322 -0.081 30 20 DBED C#CCNC(=O)C1CCN(S(=O)(=O)C[C@@H]2CCCO2)CC1 491780762 LAGABUVRYQPFPX-ZDUSSCGKSA-N 314.407 -0.043 30 20 DBED N#C[C@@H]1COCCN1C(=O)Cc1ccc(S(N)(=O)=O)cc1 532301971 HJLMTLSETKJEMC-LLVKDONJSA-N 309.347 -0.373 30 20 DBED C=CCC[C@@H](NC(=O)C1(S(N)(=O)=O)CC1)C(=O)OCC 569011273 YBPMFVKJOLNBHD-SECBINFHSA-N 304.368 -0.178 30 20 DBED CC[C@@H]1C[C@@H](C(=O)N2CCN(C(=O)CC#N)CC2)CC(=O)N1 583152479 VXIQVPAGQAWXGD-VXGBXAGGSA-N 306.366 -0.124 30 20 DBED C[C@@H]1CN(C[C@H](O)CNCCn2cnc(C#N)n2)C[C@@H](C)O1 591766632 QLRKRKGGYYCNQA-JHJVBQTASA-N 308.386 -0.791 30 20 DBED CC(C)(CNC(=O)N1CC[C@@](O)(CC#N)C1)NS(C)(=O)=O 591956645 ZQJJSMJWOTVLDY-LBPRGKRZSA-N 318.399 -0.626 30 20 DBED CC#CC[C@@H](CO)NS(=O)(=O)N1CCC(C(=O)OC)CC1 592113393 RERAFOIYNJSSRC-LBPRGKRZSA-N 318.395 -0.520 30 20 DBED N#CCCN1CCN(C(=O)C(=O)N2CC[C@H]3NCC[C@@H]3C2)CC1 601594941 PLZCFRQLTVDZLV-ZIAGYGMSSA-N 319.409 -0.745 30 20 DBED CCN(CCC#N)C(=O)CN(C)CC(=O)N1CCN(C)CC1 602989222 IAAIORWJLIYXOQ-UHFFFAOYSA-N 309.414 -0.546 30 20 DBED C=CCCNC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 617614229 RXWZRMORXMBOCZ-GHMZBOCLSA-N 300.380 -0.286 30 20 DBED C#CCCN1CCC(NC(=O)CN(C)S(C)(=O)=O)CC1 740739161 XIEKSBVPWXQLBR-UHFFFAOYSA-N 301.412 -0.518 30 20 DBED COC(=O)[C@@H](C)n1cccc1C=NNC(=S)NCC(N)=O 774586610 IEXCGEOEXKTKCF-MRVPVSSYSA-N 311.367 -0.495 30 20 DBED C#CCOCCNC(=O)N1C[C@@H](OCCOC)C[C@@H](CO)C1 774951384 RONJWAVGXUAVDP-KGLIPLIRSA-N 314.382 -0.308 30 20 DBED Cn1nncc1S(=O)(=O)NCCNc1ncccc1C#N 795081033 PXYGAQLDYWDLTR-UHFFFAOYSA-N 307.339 -0.528 30 20 DBED C#CCC[C@H](O)CNC(=O)[C@@H]1CCCN(S(=O)(=O)CC)C1 799080256 WDYKGCLXWRTHPC-OLZOCXBDSA-N 316.423 -0.061 30 20 DBED C#CCCCNC(=O)C(=O)N[C@H]1CCOC[C@H]1OCCOC 806911082 IOHFIUVUJIULPV-QWHCGFSZSA-N 312.366 -0.547 30 20 DBED C#CCCS(=O)(=O)NC(=O)c1c(C)nn(C)c1-n1cccn1 810781706 ARMGVGSKKPOAGQ-UHFFFAOYSA-N 321.362 -0.003 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)c2cncs2)CC1 831556100 HJAPQHABRBXFIZ-UHFFFAOYSA-N 314.392 -0.632 30 20 DBED CC1=C(C(=O)N[C@@H]2CNC[C@@H]2C#N)[C@@H](C)n2ncnc2N1C 843460339 NSMBRYZURMXNIW-OUAUKWLOSA-N 301.354 -0.209 30 20 DBED C=CCn1cc(CNC(=N)NCCCN2CCOCC2)nn1 849044471 QQBXFLFGESYDKL-UHFFFAOYSA-N 307.402 -0.200 30 20 DBED C#CCN1CCC[C@H](NC(=O)NCCS(=O)(=O)NCC)C1 884138645 UQCUOUBESUQJFR-LBPRGKRZSA-N 316.427 -0.678 30 20 DBED N#Cc1ccc(C(=O)N2CCC[C@@H](N3CCNCC3=O)C2)[nH]1 884253064 ZCGIPLNNJLTYHA-GFCCVEGCSA-N 301.350 -0.077 30 20 DBED C=CCC1(O)CCN(C(=O)NCCN2CCNC(=O)C2)CC1 888777458 RITKNHKBHKGYJQ-UHFFFAOYSA-N 310.398 -0.469 30 20 DBED C#CC1(O)CN(C(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)C1 893403093 QIUUGABNDCUPDE-GFCCVEGCSA-N 307.350 -0.844 30 20 DBED C#CCSCC(=O)N(CCN(C)C)[C@@H]1CCS(=O)(=O)C1 900967065 JERFFBXPYQVWNY-GFCCVEGCSA-N 318.464 -0.070 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@@H]1CCN(C)C(=O)C1 912703215 CVTUICHNLNZCLW-NXEZZACHSA-N 311.338 -0.202 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(CN(C)CCCOC)c1=O 921187378 DIROQOWNPNSOFQ-UHFFFAOYSA-N 324.381 -0.531 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](NC(=O)[C@@H]2CNC(=O)N2)[C@H](C)C1 939656907 XYZNSUACXBELQC-OUAUKWLOSA-N 308.382 -0.157 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)Cn3cnnn3)C[C@H]2C)C1 939966285 RYFPRNMJGNUGNH-VXGBXAGGSA-N 318.381 -0.008 30 20 DBED C[C@H](C#N)C(=O)N1CCCN(C(=O)[C@@]2(C)CNC(=O)C2)CC1 941651444 SCLGGKBIUDMGCJ-IAQYHMDHSA-N 306.366 -0.267 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCN(C(=O)[C@@H]3CNC(=O)N3)CC2)C1 945025801 RYGNPGOBCYURSR-QWRGUYRKSA-N 319.365 -0.722 30 20 DBED N#Cc1cc(C(=O)N2CC[C@@H]3[C@@H](CCN3C(=O)C(N)=O)C2)c[nH]1 945929645 YBTPNDKYMXNTBB-JOYOIKCWSA-N 315.333 -0.565 30 20 DBED O=C1N[C@@H](C(=O)NC2CCN(C(=O)C#CC3CC3)CC2)CO1 946690557 QSHXILRSTJOEND-GFCCVEGCSA-N 305.334 -0.385 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2[C@H]3C[C@H]2N(C(=O)CC(N)=O)C3)cc1 947707784 UOZYPKPIMHTHEL-ZENOOKHLSA-N 311.341 -0.128 30 20 DBED N#CCN1CCC2(CC1)CN(C(=O)C[C@@H]1CCC(=O)N1)CCO2 949207316 KRSDBKQQPNELBV-ZDUSSCGKSA-N 320.393 -0.128 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@@H]2CCN2C(=O)[C@H]2COC(=O)N2)c1 949283517 PMIKHSAROHIGKW-GXSJLCMTSA-N 317.305 -0.675 30 20 DBED CN(C(=O)CN1CCCC1=O)C1CN(C(=O)C#CC2CC2)C1 953694427 RMJQZOCEWIHJIC-UHFFFAOYSA-N 303.362 -0.309 30 20 DBED C=CCN1CC[C@H](N2CCN(C(=O)[C@H]3CCN(C)C3)CC2)C1=O 957648938 BBYHAKIGMXIGQT-GJZGRUSLSA-N 320.437 -0.131 30 20 DBED C=CCn1cccc1C(=O)NC[C@@H]1CN(CC(N)=O)C[C@H]1O 958138859 JDKIUUQWTCPDAY-DGCLKSJQSA-N 306.366 -0.818 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cnon2)C1 958933207 FWJRDMPCFJKXFY-QWRGUYRKSA-N 308.338 -0.075 30 20 DBED C#CCCN1C[C@H]2C(NC(=O)[C@H]3CC(=O)N(CCOC)C3)[C@@H]2C1 960169262 VAPLGTFIBVEFNY-BFHYXJOUSA-N 319.405 -0.449 30 20 DBED CC#CCN1C[C@H]2C(NC(=O)[C@H]3CCCCN3C(N)=O)[C@@H]2C1 962271349 MTFPFQJOYHFALN-JHJVBQTASA-N 304.394 -0.011 30 20 DBED C#Cc1cncc(C(=O)NC[C@@H]2COCCN2C(=O)COC)c1 964346327 FKBCLCFYQUCSES-CQSZACIVSA-N 317.345 -0.334 30 20 DBED C[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1NC(=O)CN1CCCC1=O 966402553 SYMNJPFRHNNCQE-JSGCOSHPSA-N 317.389 -0.015 30 20 DBED C=CCN1CC[C@@H](C)[C@@H](NC(=O)CN2CCN(C)C(=O)C2)C1 967031068 KHSDZXRYVRUQET-KGLIPLIRSA-N 308.426 -0.227 30 20 DBED CNC(=O)Cc1noc(CN[C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)n1 967727063 CFITVOASPZDWIA-VHSXEESVSA-N 320.353 -0.792 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@H]1CN(C(=O)CC(N)=O)C2 970046274 ZYEITDZWXOJZIA-RVMXOQNASA-N 321.377 -0.345 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)Cn3cnnc3O)[C@@H]2C1 971876104 HTVKYXCMXRKBCU-HBNTYKKESA-N 318.337 -0.797 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(CCCN(CC(N)=O)C2)C1 982023739 UJZHXAVYIUVLTJ-OLZOCXBDSA-N 307.394 -0.013 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2COCCO2)C1 990298837 MTFKFSXHFGQCEY-AGIUHOORSA-N 310.350 -0.680 30 20 DBED C#Cc1cncc(C(=O)NC2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c1 999304687 RPPSIUIFNWUUHH-CHWSQXEVSA-N 314.301 -0.331 30 20 DBED C#Cc1cncc(C(=O)NC2CN(C(=O)C3(C(N)=O)CC3)C2)c1 999315419 OJDKIEYPFPTGOS-UHFFFAOYSA-N 312.329 -0.731 30 20 DBED N#CCN1CC[C@@H](n2cc(CNC(=O)[C@@]34COC[C@@H]3C4)nn2)C1 999992782 QGEQEBGGWSOCQA-LNSITVRQSA-N 316.365 -0.299 30 20 DBED O=C(NCC1CN(C(=O)C#CC2CC2)C1)[C@H]1CCCS1(=O)=O 1002277962 DCSUFHXSXQTBJQ-CYBMUJFWSA-N 324.402 -0.448 30 20 DBED C=C(C)C(C)(C)C(=O)N1CC(CNC(=O)[C@H]2CNC(=O)N2)C1 1003950381 AOIKLGOJRXHDNR-LLVKDONJSA-N 308.382 -0.155 30 20 DBED Cn1nnc(CN2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)n1 1010643310 LFUSFHCTVJHIHK-JTQLQIEISA-N 300.326 -0.586 30 20 DBED O=C1CC[C@H](C(=O)NC2[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]23)N1 1012864481 PGMRITBJZQQEBK-IJLUTSLNSA-N 301.346 -0.749 30 20 DBED C#Cc1cncc(C(=O)N[C@H]2CCCN(C(=O)C(N)=O)[C@H]2C)c1 1015213245 LVLHXCRLGILSQC-GWCFXTLKSA-N 314.345 -0.343 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)CN2CCCC2)C1 1023798541 SMJJPBQKHVQXDT-CHWSQXEVSA-N 309.410 -0.018 30 20 DBED C#CCOc1ncccc1C(=O)N[C@@H]1CN(C(C)=O)C[C@H]1O 1024921436 FRYMVZASTXJFDD-CHWSQXEVSA-N 303.318 -0.585 30 20 DBED COCCn1nc(C(=O)NC[C@H]2CCCN2CC#N)ccc1=O 1028013239 FXQPPEAGHUXNCX-GFCCVEGCSA-N 319.365 -0.393 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2[C@H]1CCC(=O)NC1=O 1029244444 HEHGWJKMCSACGZ-WYUUTHIRSA-N 304.350 -0.374 30 20 DBED C#CCN1[C@H]2CC[C@H]1CN(C(=O)c1nc(O)nc(O)c1OC)C2 1029552436 TYMAPXHXAGZWOB-UWVGGRQHSA-N 318.333 -0.182 30 20 DBED C#CCN1CCC(C(=O)NC2CN(Cc3nc(O)n[nH]3)C2)CC1 1031437159 WGSWKPPWORXHFS-UHFFFAOYSA-N 318.381 -0.844 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)[C@H]2CCCc3nn[nH]c32)C1 1035486438 BFZRBMLMWLUSMW-RYUDHWBXSA-N 303.366 -0.325 30 20 DBED C=CCN1CC[C@H](N2CC[C@H]2CNC(=O)C2=COCCO2)C1=O 1038032001 KGQBNRLXRIIVHW-STQMWFEESA-N 321.377 -0.148 30 20 DBED C=C(C)CN1CC[C@@H]1CNC(=O)c1c[nH]nc1S(N)(=O)=O 1038683149 VWTQXSSSYUCFAQ-SECBINFHSA-N 313.383 -0.563 30 20 DBED CCN(C)C(C)(C)C(=O)N1CC[C@@](O)(CNC(=O)[C@H](C)C#N)C1 1040765374 HWUGNVIZEAABII-MLGOLLRUSA-N 324.425 -0.044 30 20 DBED C#CCN1CCC2(CC1)CCN(C(=O)CN1CC(=O)NC1=O)C2 1040882408 BRRPCNVLJDVZNB-UHFFFAOYSA-N 318.377 -0.514 30 20 DBED C[C@H]1C[C@H]1C(=O)NCC1(O)CN(C(=O)c2ccc(C#N)[nH]2)C1 1041285934 OUTKROVRMBXQFU-GXSJLCMTSA-N 302.334 -0.155 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)CCCOC)C1 1041674742 KRXLBYFBNSZGAV-LBPRGKRZSA-N 314.382 -0.306 30 20 DBED C#CCN1CC[C@]2(CCN(C(=O)CC[C@@H]3NC(=O)NC3=O)C2)C1 1041824174 UAZWLUVIGUWFQA-LRDDRELGSA-N 318.377 -0.468 30 20 DBED N#Cc1ccc(C(=O)NCC2(O)CN(C(=O)CC3CC3)C2)[nH]1 1042605003 HVVXTUVIDDFJHM-UHFFFAOYSA-N 302.334 -0.010 30 20 DBED N#Cc1cc(C(=O)NCC2(O)CN(C(=O)CCCF)C2)c[nH]1 1042672305 LIEDVJJQGCRNIH-UHFFFAOYSA-N 308.313 -0.061 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)c2c(C)ncn2C)C1 1042801761 SSRSFDUIBUQIFW-UHFFFAOYSA-N 318.377 -0.165 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)[C@H]2C[C@H]3CC[C@H]2O3)C1 1042936831 QWCMBLGJJRJSDL-HZSPNIEDSA-N 320.389 -0.097 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)Cc2cc[nH]n2)C1 1042936915 UTOROGAKXMJMLL-UHFFFAOYSA-N 304.350 -0.699 30 20 DBED C[C@@H]1CO[C@H](C(=O)N2CC(O)(CNC(=O)C#CC3CC3)C2)C1 1042958276 IGQWWYQHLCWCAQ-AAEUAGOBSA-N 306.362 -0.486 30 20 DBED C[C@@](O)(CC(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1)C1CC1 1042959019 SVQJIAAKNKMXOD-MRXNPFEDSA-N 320.389 -0.360 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)C1CN(CC(=O)NC2CC2)C1 1042959984 JCCQXXNBTIVVRW-HNNXBMFYSA-N 318.421 -0.495 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)[C@H]3COCCO3)C2)nc1 1043860970 HPYJWBFIUWLMIZ-FRRDWIJNSA-N 318.333 -0.966 30 20 DBED N#CCN1CC[C@@H](N2CCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)CC2)C1 1046055094 NPDFSIGDNOTUOD-KBXIAJHMSA-N 304.394 -0.379 30 20 DBED C[C@]1(NC(=O)c2cn([C@@H]3CCOC3)nn2)CCN(CC#N)C1 1046756711 BLAXNCTUFQUUBI-RISCZKNCSA-N 304.354 -0.043 30 20 DBED C=CCN1CC[C@@H](N2C[C@H](O)[C@@H](N(C)C(=O)C3CC3)C2)C1=O 1047279612 RJAIRPMSVZWESC-RDBSUJKOSA-N 307.394 -0.313 30 20 DBED C=C[C@](C)(O)CC(=O)N(C)[C@H]1CN(C(=O)c2ccon2)C[C@@H]1O 1048757481 GDFMXYDKVYKMKL-HUBLWGQQSA-N 323.349 -0.355 30 20 DBED CN(C(=O)C#CC1CC1)[C@H]1CN(C(=O)[C@H]2CCCN2C)C[C@@H]1O 1048821271 JBBRGWXULZNFNL-ILXRZTDVSA-N 319.405 -0.476 30 20 DBED C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H]1NC(=O)NC1=O 1049527319 OWMDPDIDGVCORC-QJPTWQEYSA-N 306.366 -0.164 30 20 DBED CC[C@@H](C(=O)N(C)[C@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1O)N(C)C 1049570920 NLQUQXNOMVFFDD-CYDGBPFRSA-N 310.398 -0.484 30 20 DBED C[C@@H]1[C@@H](NC(=O)Cn2nccn2)CCN1c1cncc(C#N)n1 1050667906 OHNHMCQKSCONBL-PWSUYJOCSA-N 312.337 -0.277 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)[C@H]1CCN(C(=O)CC)C1 1051198409 SSCITHIGQJVXCH-KBPBESRZSA-N 307.394 -0.305 30 20 DBED N#Cc1c[nH]c(C(=O)N2CCO[C@@H](CN[C@@H]3CCNC3=O)C2)c1 1051524995 YZTHAPMKSJBMPB-NWDGAFQWSA-N 317.349 -0.795 30 20 DBED C=CCOCC(=O)N1C[C@H](CNC(=O)c2cnn[nH]2)[C@@H](C)C1 1052215689 RHJBSJZEMQGMIS-QWRGUYRKSA-N 307.354 -0.168 30 20 DBED C#CCN1CC2(C1)CN(C(=O)c1cnn3c1CCC3)CCO2 1053281266 WOSAUWLJDHRHDF-UHFFFAOYSA-N 300.362 -0.011 30 20 DBED C[C@H](C(N)=O)N1CC2(C[C@@H](NC(=O)c3c[nH]c(C#N)c3)CO2)C1 1053778532 CYCNVTGOSFZNJK-BXKDBHETSA-N 317.349 -0.667 30 20 DBED N#Cc1cccnc1N1C[C@H]2C(NC(=O)[C@@H]3CCNC3=O)[C@@H]2C1 1056355475 KUWAVWPERGDODN-IJLUTSLNSA-N 311.345 -0.360 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)[C@H](C)n1cccn1 1057049684 ONNVGQDQZPGSKI-ZDUSSCGKSA-N 324.381 -0.416 30 20 DBED C=C[C@](C)(O)CC(=O)NCCN(CCO)C(=O)[C@@H](C)COC 1057188918 FXAQUEUHRJCFES-WFASDCNBSA-N 316.398 -0.467 30 20 DBED C#CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)C1(CF)CC1 1057584533 NEZRZMIBDWZLQK-LBPRGKRZSA-N 314.357 -0.289 30 20 DBED C=CCO[C@H](C)C(=O)N(CCO)CCNC(=O)c1cnccn1 1057922084 WQNGPIKGXBNKIN-GFCCVEGCSA-N 322.365 -0.382 30 20 DBED C[C@@H]1OCC[C@@H]1C(=O)N(CCO)CCNC(=O)C#CC1CC1 1058552646 NZOITJMITREWJX-JSGCOSHPSA-N 308.378 -0.238 30 20 DBED Cc1ccn(CC(=O)N(CCO)CCNC(=O)[C@@H](C)C#N)n1 1058865251 IIFZWMUZEMYSEN-NSHDSACASA-N 307.354 -0.712 30 20 DBED N#Cc1nc(=N[C@H]2C[C@H](NC(=O)[C@@H]3CCCNC3=O)C2)cc[nH]1 1059325349 DZCSBNVJVNFQOP-GMTAPVOTSA-N 314.349 -0.645 30 20 DBED N#Cc1nccnc1N[C@H]1C[C@@H](NC(=O)c2c[nH]c(=O)cn2)C1 1059798900 LIXOWURPXTVIAG-DTORHVGOSA-N 311.305 -0.196 30 20 DBED N#Cc1nccnc1NC[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 1060972710 QQEHELNNHYAYIX-ONGXEEELSA-N 315.337 -0.710 30 20 DBED N#CCSCC(=O)NC[C@H]1COCCN1C(=O)c1cnco1 1061323560 RHIVCQGOQCASAN-JTQLQIEISA-N 324.362 -0.111 30 20 DBED C#CCCCC(=O)NC[C@@H]1COCCN1C(=O)CC(=O)NCC 1061539989 GKAOLMBUHLEYTG-CYBMUJFWSA-N 323.393 -0.340 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H]1CCCCN1C(=O)CNC(N)=O 1061997329 MLHAULHRKFZPRW-NWDGAFQWSA-N 324.381 -0.810 30 20 DBED C=CC(C)(C)C(=O)NC[C@@H]1CN(C(=O)CNC(N)=O)CCO1 1064841264 QVHMACWMWPBKMM-SNVBAGLBSA-N 312.370 -0.790 30 20 DBED C=CCCOCC(=O)NC[C@H]1CN(C(=O)[C@@H](C)OC)CCO1 1064920910 DVUFZRWQZVTDGD-OLZOCXBDSA-N 314.382 -0.042 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)[C@H]2COC(=O)N2)CCO1 1065104127 BTQUDHUSLZKNBC-WDEREUQCSA-N 311.338 -0.595 30 20 DBED CC(C)(C)C#CC(=O)N1CCO[C@@H](CNC(=O)CC(N)=O)C1 1065140020 HMCLTCPXUNOOCP-NSHDSACASA-N 309.366 -0.745 30 20 DBED C[C@@]1(NC(=O)[C@H]2CCNC2=O)CCN(c2ccnc(C#N)n2)C1 1065312606 UAJVBFOBMJSHAC-ZUZCIYMTSA-N 314.349 -0.431 30 20 DBED CC(=O)NCC(=O)NC[C@@H]1CCC2(CN(C(=O)[C@@H](C)C#N)C2)O1 1068497756 RXORSAVKPWLWDK-JQWIXIFHSA-N 322.365 -0.842 30 20 DBED C#CCCCCC(=O)N1CC2(C[C@@H](NC(=O)C(N)=O)CO2)C1 1068994866 RBLQCWDZUJAFDZ-LLVKDONJSA-N 307.350 -0.849 30 20 DBED CCc1nc(C#N)cc(N[C@H]2C[C@H](C)N(C(=O)C(N)=O)C2)n1 1069184353 YLMXMSZFCZVBKA-WPRPVWTQSA-N 302.338 -0.203 30 20 DBED Cc1ocnc1C(=O)N1C[C@H](n2ccnn2)[C@H](NCC#N)C1 1070153131 GOSNGVOKGFBYCB-MNOVXSKESA-N 301.310 -0.247 30 20 DBED C=CCN1CCOC[C@H]1c1n[nH]c(CNC(=O)c2cnn[nH]2)n1 1070586828 SAOJYURZWWESJP-JTQLQIEISA-N 318.341 -0.588 30 20 DBED C#CCN1C[C@@H]2OC(=O)N([C@H]3CCN(C(=O)COC)C3)[C@@H]2C1 1070897176 DBDDODJATVKLMF-XQQFMLRXSA-N 307.350 -0.628 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)[C@H]2C[C@H]3C=C[C@H]2O3)CC1 1070975727 YJTRCANXXSUTHX-QLFBSQMISA-N 317.389 -0.386 30 20 DBED C#CCCN1C[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)CC[C@H]1C 1071517039 DQSNLZJHKHXHMT-NEPJUHHUSA-N 318.381 -0.631 30 20 DBED C#CCCN1C[C@@H](NC(=O)CN2CC(=O)NC2=O)CC[C@@H]1C 1071907657 DOJBJSRCAFRXKT-RYUDHWBXSA-N 306.366 -0.469 30 20 DBED CC(C)C#CC(=O)N1C[C@H](C)[C@@H](NC(=O)CCNC(N)=O)C1 1072049469 UFNKIQNYVKBFMD-RYUDHWBXSA-N 308.382 -0.333 30 20 DBED C[C@@H]1CC[C@H](NC(=O)c2nccnc2C(N)=O)CN1CC#N 1072057742 AIEIWHJVEKYROT-ZJUUUORDSA-N 302.338 -0.318 30 20 DBED C=CCCC(=O)N[C@@H]1CN(C(=O)CN2CCOCC2=O)C[C@@H]1C 1072320923 MLFQEYOFJDYODH-QWHCGFSZSA-N 323.393 -0.226 30 20 DBED CNC(=O)NCC(=O)N[C@@H]1CCN(C(=O)C#CC2CC2)C[C@H]1C 1074011561 UDSKAVKDKUZMJH-DGCLKSJQSA-N 320.393 -0.318 30 20 DBED C#CCCN1CCO[C@H]2CCN(C(=O)CCn3cncn3)C[C@H]21 1074170325 MCWWZNNMIUKRLD-CABCVRRESA-N 317.393 -0.007 30 20 DBED CCN(C(=O)[C@H](C)NC(C)=O)C1CN(C(=O)C#CC2CC2)C1 1079264212 CNUQACIPEZKMQR-NSHDSACASA-N 305.378 -0.016 30 20 DBED CC(F)(F)C(=O)NC[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 1081182777 DJIHPWVXRODKTB-MNOVXSKESA-N 300.305 -0.010 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)c2cnon2)C[C@H]1O 1081462943 HXFDMXKVCYNICY-CMPLNLGQSA-N 306.322 -0.722 30 20 DBED CCCN(C)CC(=O)NC[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1081634778 MHLXTDQOIIJMDN-LSDHHAIUSA-N 321.421 -0.323 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2nc[nH]n2)C1 1081653118 KARIFCQTOBPCNL-WDEREUQCSA-N 305.338 -0.987 30 20 DBED C#CCCN1C[C@@H](NC(=O)c2cn(C)c(=O)n2C)[C@H](OC)C1 1082387247 UTDUOFOWACQEFN-DGCLKSJQSA-N 306.366 -0.824 30 20 DBED N#Cc1ccc(CN2C[C@H]3[C@@H](C2)OCCN3C(=O)C(N)=O)cc1 1083179204 KTOQRRFYVVEBMJ-UONOGXRCSA-N 314.345 -0.545 30 20 DBED C#CCOc1ncccc1C(=O)N[C@@H]1CN(CCOC)C[C@@H]1O 1083967816 ZVASZYKFDWXIRU-KGLIPLIRSA-N 319.361 -0.485 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)c2cnc(OCC)cn2)C1 1084124364 YVSJAKLUNAVAAK-OLZOCXBDSA-N 304.350 -0.327 30 20 DBED CC#CCN1CC[C@@H]2CN(C(=O)[C@@H]3CC(=O)NC(=O)N3)[C@@H]2C1 1084690208 NFMBNVFZMLMTQV-GRYCIOLGSA-N 304.350 -0.860 30 20 DBED C#CCN[C@H]1C[C@@H](CNC(=O)c2ccc(=O)n(CCOC)n2)C1 1086142668 HSZRWDLBLCCHDS-BETUJISGSA-N 318.377 -0.379 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)Cn1ncnn1)Nc1cncc(C#N)n1 1089399483 DBVQGPOHUBPRHT-VHSXEESVSA-N 315.341 -0.270 30 20 DBED COCCn1nccc1C(=O)N[C@@H]1CCN(CC#N)C[C@H]1O 1090350502 WRJPTKWUBGFWEZ-DGCLKSJQSA-N 307.354 -0.782 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2nn(CC)nc2C)[C@H](O)C1 1090851694 HRUNEHVVTODMLO-CHWSQXEVSA-N 305.382 -0.205 30 20 DBED CCOCC(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1OC 1090857791 FZOVOGITABBCHM-GHMZBOCLSA-N 305.338 -0.295 30 20 DBED CCCOCC(=O)N[C@H]1CCN(c2nccnc2C#N)C[C@@H]1O 1092143002 PPDFNRKZWURBDF-AAEUAGOBSA-N 319.365 -0.169 30 20 DBED N#Cc1nccc(N2CCN(C(=O)CCNC(N)=O)CC2)n1 1093155471 BENNPVJRYJHYRD-UHFFFAOYSA-N 303.326 -0.945 30 20 DBED N#Cc1nc(=NCCNC(=O)c2cccc(C(N)=O)n2)cc[nH]1 1093688019 YZTSWXFEWWHTCY-UHFFFAOYSA-N 311.305 -0.894 30 20 DBED C=CCCN1CC(N2C[C@@H](NC(=O)Cn3cccn3)CC2=O)C1 1094705132 IRIOLZFYIUQBNV-ZDUSSCGKSA-N 317.393 -0.140 30 20 DBED C#CCN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1nnc(O)nc1O)C2 1094955626 ZVDQKOWFZRBGBP-AEJSXWLSSA-N 303.322 -0.501 30 20 DBED CCC(=O)N[C@H](C)C(=O)N[C@H]1C[C@H](N=c2cc[nH]c(C#N)n2)C1 1097106926 FYDNJKFERATTMY-GMTAPVOTSA-N 316.365 -0.256 30 20 DBED COc1nccc(C(=O)NC[C@H](C)N=c2cc[nH]c(C#N)n2)n1 1098437545 GFFXRKXRYXLOPH-VIFPVBQESA-N 313.321 -0.201 30 20 DBED CC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cn(CC(N)=O)nn1 1098463903 IBCALZINIUYHAE-WZRBSPASSA-N 316.365 -0.878 30 20 DBED C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)CN1CC(=O)NC1=O 1099270202 JDZGDOHTYSZEJQ-GFCCVEGCSA-N 320.393 -0.222 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(Cc2n[nH]c(C)n2)C[C@H]1O 1099738815 SSQVYQABCVUUIV-NWDGAFQWSA-N 309.370 -0.633 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)C(F)=C(C)C)[C@H](O)C1 1099780699 LNBKTUAOPNRNJE-NWDGAFQWSA-N 311.357 -0.449 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCN(Cc2nnc(C)o2)C[C@@H]1O 1099832433 HIDIKSQAOYXSBL-OLZOCXBDSA-N 322.365 -0.531 30 20 DBED CN1CCO[C@H](C(=O)NCCN(C)c2ccncc2C#N)C1 1099997018 VZCJECXSSNHDRJ-AWEZNQCLSA-N 303.366 -0.164 30 20 DBED CCN(CCNC(=O)[C@H](C)NC(N)=O)c1nccnc1C#N 1100500984 NISNTWNROXTFJF-VIFPVBQESA-N 305.342 -0.652 30 20 DBED C=CCn1cc(C(=O)NCC2CC(NC[C@H](O)COC)C2)nn1 1100739139 JEYKTURPIKWPNC-BPCQOVAHSA-N 323.397 -0.431 30 20 DBED C[C@H](NC(N)=O)C(=O)NC[C@@H]1CCCN1c1ccnc(C#N)n1 1100825603 UAWGNBWNLVYIMD-UWVGGRQHSA-N 317.353 -0.510 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H]1CCCN1c1cnc(F)cn1 1100830295 GXZBAZITDUGFRH-NSHDSACASA-N 319.340 -0.160 30 20 DBED C[C@H](NC(N)=O)C(=O)NC[C@H]1CCN(c2ccncc2C#N)C1 1100969522 XHOMETFOLYQPIP-WDEREUQCSA-N 316.365 -0.047 30 20 DBED CCCN(CCNC(=O)Cn1cnnn1)c1ccncc1C#N 1101083639 NKDLLIXABOCXBA-UHFFFAOYSA-N 314.353 -0.027 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)COC(C)C)C1 1101790258 BUUFAAGFCSLPLQ-ZIAGYGMSSA-N 309.410 -0.155 30 20 DBED CN(CCNc1nccnc1C#N)C(=O)c1ccn2nnnc2c1 1101890137 KKFSRRLXMUKHPU-UHFFFAOYSA-N 323.320 -0.030 30 20 DBED CCC(=O)NCC(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(C#N)n1 1102539165 MFCMYJCBJAYPGP-QWRGUYRKSA-N 314.349 -0.336 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H](C)[C@H](CCNC(=O)CC(N)=O)C1 1102814813 BAARQWUMOIEORG-FRRDWIJNSA-N 324.425 -0.373 30 20 DBED C=CCN1C[C@@H](C)[C@H](CCNC(=O)C[C@@H]2NC(=O)NC2=O)C1 1103098611 AXPKSWQDWKVSSH-UTUOFQBUSA-N 308.382 -0.155 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)[C@H]1CCCNC1=O 1104107325 VSXYVCATJXUYEM-QWRGUYRKSA-N 316.365 -0.539 30 20 DBED COCCC(=O)NC[C@H]1CN(c2nccnc2C#N)CCO1 1104284963 SDIFSZHQOUSPJH-NSHDSACASA-N 305.338 -0.294 30 20 DBED N#Cc1cnc(N2CCO[C@@H](CNC(=O)C(N)=O)C2)c(Cl)c1 1104344829 KIUDHGLZJOEVDO-VIFPVBQESA-N 323.740 -0.587 30 20 DBED COCCO[C@@H](C)C(=O)N1CC(n2cc(CNCC#N)nn2)C1 1105336925 NWTLMDPAQZAFGH-NSHDSACASA-N 322.369 -0.674 30 20 DBED CN(CCN(C)c1ccnc(C#N)n1)C(=O)[C@@H]1CC[C@H]1C(N)=O 1105521113 BNCSVCZNOBFAJI-GHMZBOCLSA-N 316.365 -0.246 30 20 DBED CC(=O)CCCC(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1 1105720576 WUMUFOQCWXDDGK-NSHDSACASA-N 305.338 -0.582 30 20 DBED Cc1c(C(=O)NC[C@@H](O)CNc2ccc(C#N)nn2)cnn1C 1105751946 LQTRCCZWMFSMHR-NSHDSACASA-N 315.337 -0.407 30 20 DBED CCn1cc(C(=O)NC[C@H](O)CNc2cncc(C#N)n2)nn1 1105953590 BYISCXXDWZYQJU-SNVBAGLBSA-N 316.325 -0.838 30 20 DBED N#Cc1cncc(NC[C@H](O)CNC(=O)Cc2cncs2)n1 1105992817 ACTUWQNXPPHSLA-JTQLQIEISA-N 318.362 -0.064 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H](O)CNC(=O)COCC(F)F 1106032366 PIFNRUWUHWMXII-SNVBAGLBSA-N 314.292 -0.454 30 20 DBED N#Cc1nc(=NC[C@H](O)CNC(=O)C2(CF)CCC2)cc[nH]1 1106124029 VVGNEOKMLQIKDS-JTQLQIEISA-N 307.329 -0.201 30 20 DBED C[C@@H]1[C@H](C(=O)NC[C@@H](O)CNc2cncc(C#N)n2)CCN1C 1106152721 GHMAPWMBJAGOPL-KGYLQXTDSA-N 318.381 -0.423 30 20 DBED CCN(CCNc1cnc(C#N)cn1)C(=O)[C@@H]1CCNC1=O 1106909584 MLWGQVHOCQWLMQ-LLVKDONJSA-N 302.338 -0.255 30 20 DBED COCCO[C@@H](C)C(=O)NC/C=C/CN=c1cc[nH]c(C#N)n1 1107338233 RJZYZJOYIPCMQH-PCAWENJQSA-N 319.365 -0.094 30 20 DBED N#Cc1cnc(NC/C=C/CNC(=O)C2(C(N)=O)CC2)cn1 1107480861 WCRZCIYSGKSFLM-OWOJBTEDSA-N 300.322 -0.302 30 20 DBED Cc1cc(=NC[C@@H](C)NC(=O)[C@H]2COCCN2C)c(C#N)c[nH]1 1107694343 OINYYZGTUGQXLF-IUODEOHRSA-N 317.393 -0.069 30 20 DBED CC#CCN1CCO[C@](C)(CNC(=O)Cn2cnnc2O)C1 1107886578 MDMLZVPCWXJOSA-CQSZACIVSA-N 307.354 -0.786 30 20 DBED C[C@H](CNc1ncccc1C#N)NC(=O)[C@@H]1CC(=O)NC(=O)N1 1108151304 OIAMGUFGPWAZTM-SCZZXKLOSA-N 316.321 -0.532 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)c2ccc(C(N)=O)cn2)C1 1108436471 RQRFVNPYGICXCL-MRXNPFEDSA-N 316.361 -0.366 30 20 DBED C#CCCCC(=O)N[C@@H]1CC(=O)N(C2CN([C@@H](C)C(N)=O)C2)C1 1108538554 KHTCKGUTALDHCH-NWDGAFQWSA-N 320.393 -0.935 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)[C@@H](CC)NC(C)=O)CC2=O)C1 1108577758 OVYKFNZDCWBBQN-GXTWGEPZSA-N 322.409 -0.512 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)[C@H](CC)N(C)C)CC2=O)C1 1108578241 ZVGCPVHNQGHGOS-JSGCOSHPSA-N 306.410 -0.639 30 20 DBED C#CCN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(C)C(=O)COC)C2 1108702150 VJYWXNPBXOBHEP-MJBXVCDLSA-N 307.394 -0.307 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN(C)S(=O)(=O)CC 1109913777 VAZDLPUQSMDYHP-AGIUHOORSA-N 313.423 -0.377 30 20 DBED N#Cc1cncc(NC[C@@H](NC(=O)[C@H]2CNC(=O)N2)C2CC2)n1 1109960514 QZPPIJZRXSPNIS-GHMZBOCLSA-N 315.337 -0.664 30 20 DBED C#CCOCCC(=O)NCC1(Nc2nccn3nnnc23)CC1 1110235480 SZZRJWLYIWWURT-UHFFFAOYSA-N 315.337 -0.380 30 20 DBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H](C)NC(N)=O 1110484612 GQDKJYPYCRKRDC-QCNOEVLYSA-N 323.397 -0.933 30 20 DBED COCC(=O)N(C)[C@H]1CN(c2nc(C)cc(C#N)n2)C[C@@H]1O 1111168905 SNEYGWIUUAQEOL-RYUDHWBXSA-N 305.338 -0.689 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN(CC)CC 1111169590 ZVPMWLWBBWJDAY-KFWWJZLASA-N 320.437 -0.201 30 20 DBED N#Cc1cncc(NCCN(CCO)C(=O)Cc2cc[nH]n2)n1 1111444153 OIEMJFWFBQSDGR-UHFFFAOYSA-N 315.337 -0.453 30 20 DBED C[C@H](NC(=O)Cn1nccn1)[C@@H](C)Nc1ccc(C#N)nn1 1113173695 RKGRQIIBRJJQJW-ZJUUUORDSA-N 300.326 -0.055 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)Cn3cccn3)[C@H]2C1 1113857311 KRSSUNQVKOEXNI-JYAVWHMHSA-N 303.366 -0.768 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)c3cnns3)[C@H]2C1 1113945053 ONFXQFLQQQSXTO-GUBZILKMSA-N 319.390 -0.664 30 20 DBED C#CCO[C@H](C)C(=O)NC1[C@@H]2CN(CC(=O)N(C)C3CC3)C[C@@H]12 1114263042 NSPZZWZJTVMRTG-MRVWCRGKSA-N 319.405 -0.308 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CN(c2nccnc2C#N)CC1(C)C 1114443874 KGSAUUHOHHOSFD-LLVKDONJSA-N 316.365 -0.185 30 20 DBED N#Cc1cccnc1NCCCOCCNC(=O)CNC(N)=O 1115387397 KGMGFGBTEKXOCC-UHFFFAOYSA-N 320.353 -0.444 30 20 DBED C[C@@H](CN(C)C(=O)CS(C)(=O)=O)Nc1nccnc1C#N 1115632610 QMGHKIQQYWYEKO-VIFPVBQESA-N 311.367 -0.348 30 20 DBED C[C@H](CN(C)C(=O)Cn1cncn1)N=c1cc[nH]c(C#N)n1 1115728627 GJXUCBSSYPSLFZ-SNVBAGLBSA-N 300.326 -0.679 30 20 DBED C[C@@H](C#N)OCCSCC(=O)N[C@H]1CCS(=O)(=O)C1 1116959976 IYIKBYWKYOUXHF-UWVGGRQHSA-N 306.409 -0.048 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N(CC)[C@@H]1CCS(=O)(=O)C1 1117543656 HHRQEVRQEQHKNL-GHMZBOCLSA-N 318.395 -0.661 30 20 DBED CN1CCN(CC2CN(S(=O)(=O)CCCC#N)C2)CC1 1119608947 IFQIKWGLQDYJPK-UHFFFAOYSA-N 300.428 -0.201 30 20 DBED C[C@@H](CN(C)C(=O)[C@H]1CN(C)C(=O)N1)N=c1cc[nH]c(C#N)n1 1120407460 ITNVQIRWUDXGPK-VHSXEESVSA-N 317.353 -0.947 30 20 DBED Cc1cc(C#N)nc(N[C@@H](CO)CNC(=O)[C@@]2(F)CCOC2)n1 1122410648 IWKZLMWZAOHWNG-BXUZGUMPSA-N 323.328 -0.326 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)c1ccncc1 1122593567 AUTQSKNTGNVCAF-UHFFFAOYSA-N 305.338 -0.587 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)Cc2cnc[nH]2)nn1 1122622907 RMSLEXMSUFGFLC-NSHDSACASA-N 301.310 -0.797 30 20 DBED CCC(=O)N[C@@H](C)C(=O)NC[C@@H](CO)Nc1ccc(C#N)nc1 1122751993 DECUNBXTQDVWAS-GWCFXTLKSA-N 319.365 -0.243 30 20 DBED CNC(=O)CC(=O)N1CC[C@@H](Nc2ccc(C#N)nn2)[C@@H]1C 1122973246 YSHPRANVJFPVEX-GXSJLCMTSA-N 302.338 -0.114 30 20 DBED CNC(=O)NCC(=O)N1CC[C@@H](Nc2cncc(C#N)n2)[C@@H]1C 1123109093 IULXQNLMSHUGQN-GXSJLCMTSA-N 317.353 -0.321 30 20 DBED CC(=O)N(C)CC(=O)N1C[C@@H](N=c2cc[nH]c(C#N)n2)C[C@H]1C 1123156841 LCXFTOLRBDWELY-PWSUYJOCSA-N 316.365 -0.350 30 20 DBED C=CCOCC(=O)NCCNCC(=O)N1C[C@H](C)O[C@@H](C)C1 1124772779 IVXYCDVNSULBDC-STQMWFEESA-N 313.398 -0.469 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)c1n[nH]cc1C 1126851605 CCMOCZLVZPFBEC-UHFFFAOYSA-N 308.342 -0.951 30 20 DBED C=CCNC(=O)CNCCNC(=O)Cc1n[nH]c2c1CCCC2 1127317598 SWFXKFGWQBABDT-UHFFFAOYSA-N 319.409 -0.161 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1ccnn1C(C)C 1128223823 BMFABQQYYCBBNB-GFCCVEGCSA-N 305.382 -0.079 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CCCc2nccn21 1129436406 PIGAUNJGJSDNKG-CHWSQXEVSA-N 317.393 -0.396 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)[C@@H]1CCCCN1C 1130298139 WRQWMGDVBABPFS-AWEZNQCLSA-N 323.441 -0.061 30 20 DBED C[C@@H](CC(N)=O)C(=O)N1C[C@@H](NCC#N)[C@H](c2cncn2C)C1 1131044235 UJFOLQRZSVNFNP-QJPTWQEYSA-N 318.381 -0.661 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)c1cnn(C)c1 1133672068 ULGPZDCZRUYCCY-NEPJUHHUSA-N 305.382 -0.344 30 20 DBED C=CCN[C@@H](C)C[C@H](C)NC(=O)Cn1ccc(=O)n(C)c1=O 1134539794 FEZQUYUKZVHAOH-RYUDHWBXSA-N 308.382 -0.394 30 20 DBED Cc1nc(C(=O)N[C@H](C)C[C@H](C)NCC#N)nn1-c1nc[nH]n1 1135140744 SSSIMBJNKRWWDX-DTWKUNHWSA-N 317.357 -0.296 30 20 DBED C=CCN[C@H](C)C[C@@H](C)NC(=O)CNS(=O)(=O)N(C)C 1135568368 MQJZAFXCJBNRGL-GHMZBOCLSA-N 306.432 -0.559 30 20 DBED C#CCCN[C@H](C)C[C@H](C)NC(=O)CN1CCC(=O)NC1=O 1135893438 LXYCTHYZRCCEBM-NEPJUHHUSA-N 308.382 -0.176 30 20 DBED CCS(=O)(=O)CC(=O)N[C@@H](C)C[C@@H](C)NCC#CCOC 1146590760 AALFWNNDZKOKQV-OLZOCXBDSA-N 318.439 -0.056 30 20 DBED C#CCNC(=O)CC(=O)N1CC2(CCN(C[C@@H]3CCOC3)C2)C1 1147369006 QYVYVXYVDQCTDA-AWEZNQCLSA-N 319.405 -0.303 30 20 DBED C=CCOCCN1CCCO[C@@H](CNC(=O)c2cnn(C)n2)C1 1150434566 CMCNLVDWDGMJGH-ZDUSSCGKSA-N 323.397 -0.162 30 20 DBED Cc1ccc(=O)n(CC(=O)NC[C@H]2CN(CC#N)CCCO2)n1 1150620056 JTOOVDIKYAUOFN-ZDUSSCGKSA-N 319.365 -0.718 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)[C@@H]2CCNC(=O)C2)C1=O 1156516369 DPEFOFNXCFZPST-CHWSQXEVSA-N 322.409 -0.605 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)[C@H]1COCCN1C 1156815786 DXAKPYLNXOQPDN-QWHCGFSZSA-N 312.414 -0.896 30 20 DBED Cc1c(CCC(=O)NCCCNCC(=O)NCC#N)cnn1C 1158983596 MOKWKYDHUYPYJA-UHFFFAOYSA-N 320.397 -0.603 30 20 DBED N#CCNC(=O)CNCCCNC(=O)[C@@H]1CCn2cncc2C1 1161209461 MKDLOVOAYZUDDN-GFCCVEGCSA-N 318.381 -0.819 30 20 DBED C[C@H](CCCCNCC(=O)NCC#N)NC(=O)[C@H]1CCC(=O)N1 1169777324 HZMCMWIMFZXMRT-VXGBXAGGSA-N 323.397 -0.831 30 20 DBED COCC#CCNCCCNC(=O)CS(=O)(=O)C(C)(C)C 1171135498 GHRZJMPVCJXLCF-UHFFFAOYSA-N 318.439 -0.055 30 20 DBED C#CCNC(=O)CNCCCC[C@H](C)NC(=O)CC(=O)N(C)C 1175595975 ARLMJAWIHHKCBL-ZDUSSCGKSA-N 324.425 -0.521 30 20 DBED C#CCNCCCC[C@@H](C)NC(=O)Cn1nc(C)n(C)c1=O 1176392281 KABGBWMIVIRDIG-GFCCVEGCSA-N 307.398 -0.212 30 20 DBED C=CCNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)[C@H](C)OC)C1 1181302425 RHRQOKMRTNMYCK-WDEREUQCSA-N 312.370 -0.776 30 20 DBED C#CCCCCC(=O)N1CC[C@H]2CN(CC(=O)NC(N)=O)C[C@H]21 1187569218 BBMNEBZXAGOANJ-QWHCGFSZSA-N 320.393 -0.092 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)Cc2ccnn2C)C1 1189867488 WYWWDVGKTVGPAG-CQSZACIVSA-N 319.409 -0.203 30 20 DBED N#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C2CCCCCC2)C1 1191645913 RVYOPWKNLRDUJX-ZIAGYGMSSA-N 322.409 -0.242 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(CCn2nc(C)nc2C)C[C@H]1O 1192504168 XDTJXZXYMYEDLN-HUUCEWRRSA-N 319.409 -0.140 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)C2(COC)CCOCC2)C1 1193569325 RPCQRIUIGLXVAS-ZIAGYGMSSA-N 310.394 -0.386 30 20 DBED CC#CCCCC(=O)N[C@@H]1CN(Cc2cnnn2C)C[C@H]1O 1195467970 ZRCQYBUHSWVKAS-ZIAGYGMSSA-N 305.382 -0.330 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)C2(C(=O)N(C)C(C)C)CC2)C1 1197310936 MAPWCQGCYXMKJX-CHWSQXEVSA-N 307.394 -0.572 30 20 DBED C#CCCNC[C@H]1CN(C(=O)c2cn(C)c(=O)cn2)CCCO1 1201010009 MSNHAKUNOAHDAC-ZDUSSCGKSA-N 318.377 -0.376 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)[C@@H]2CO[C@@H](C)C2)CC1 1201336380 MSFMDQKFANEJGT-STQMWFEESA-N 307.394 -0.259 30 20 DBED N#CCNC(=O)CN[C@@H]1C[C@H](NC(=O)c2cocn2)C12CCC2 1202616673 ITBVYHVXNWVEEK-NEPJUHHUSA-N 317.349 -0.055 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)[C@@H]2C[C@H]2OCC)CC1 1204613720 GKNXAXMGCDCHQO-HUUCEWRRSA-N 321.421 -0.011 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)C(=O)C(C)(C)C 1206670223 HLEWNWHDIKJBSF-GHMZBOCLSA-N 308.382 -0.322 30 20 DBED C=CCOCCN[C@@H]1CCCN(C(=O)CS(C)(=O)=O)C1 1207552766 OZAAISJJQAIAMG-GFCCVEGCSA-N 304.412 -0.186 30 20 DBED Cc1ncc(CC(=O)N2CCC[C@@H](NCC(=O)NCC#N)C2)o1 1208328731 HAVRTMBMPWRSRO-GFCCVEGCSA-N 319.365 -0.254 30 20 DBED C=CCCCN1C[C@@H](NC(=O)C[C@H](NC(C)=O)C(N)=O)[C@H](C)C1 1209197569 FCZXYNRLNNGHJS-KWCYVHTRSA-N 324.425 -0.231 30 20 DBED C#CCCN[C@H]1CCCN(C(=O)[C@@H]2CN(C(C)=O)CCO2)C1 1210891987 CSWNIYBNAQZPSE-GJZGRUSLSA-N 307.394 -0.162 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(CCN2CCNC2=O)C[C@H]1OC 1212187056 JECDVNFLFXGQCE-ZIAGYGMSSA-N 322.409 -0.370 30 20 DBED CO[C@@H]1CN([C@@H](C)C(=O)N(C)C)C[C@H]1NC(=O)C#CC1CC1 1212250732 GYMSFRXHQIVIMX-IACUBPJLSA-N 307.394 -0.308 30 20 DBED C#CCN1C[C@@H](NC(=O)CNC(=O)N2CCCC2)[C@H](OC)C1 1212262795 YURLMLVCNWQAGC-CHWSQXEVSA-N 308.382 -0.760 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2cnns2)C[C@H]1OC 1212264517 KQKUOPZYQBEATN-RAIGVLPGSA-N 324.406 -0.108 30 20 DBED C=C(C)CCC(=O)N[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1OC 1212347106 UPBZZLGJQKWMJQ-GHMZBOCLSA-N 312.370 -0.647 30 20 DBED CC#CCN[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CCOC)C2)C[C@H]1C 1214757776 WNXBITYTEVHEIU-RBSFLKMASA-N 321.421 -0.059 30 20 DBED CC[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NCC(=O)NCC#N)[C@H](C)C1 1215191525 CIICPLYODRHNQX-SYQHCUMBSA-N 322.409 -0.122 30 20 DBED Cc1nc(C)n(CCN2C[C@H](O)[C@H](NC(=O)[C@@H](C)C#N)C2)n1 1219379393 SHZLSEZYDOZTNA-BIMULSAOSA-N 306.370 -0.784 30 20 DBED C=C(C)C[C@@H](C)C(=O)N[C@@H]1CN(CC(=O)N2CCC2)C[C@@H]1O 1220190736 WXVMJILEGAOHNG-MCIONIFRSA-N 309.410 -0.018 30 20 DBED CNC(=O)CN1C[C@H](O)[C@H](NC(=O)CC#Cc2ccccc2)C1 1221042185 DGOYAEGHDYTXAJ-CABCVRRESA-N 315.373 -0.665 30 20 DBED COCC(=O)NCCC(=O)N1CC[C@H]2CCN(CC#N)[C@H]2C1 1222798948 AIFNAGWADFHKLN-OLZOCXBDSA-N 308.382 -0.415 30 20 DBED COCC#CCN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CN(C)CCO1 1225524769 KCULCPOQSMFIPG-OAGGEKHMSA-N 323.437 -0.016 30 20 DBED COC[C@@H](O)CN1CCC(NC(=O)CSCC#N)CC1 1226152641 OGMGXDXKEKEIKZ-LBPRGKRZSA-N 301.412 -0.169 30 20 DBED COCC#CCN1CCC(NC(=O)[C@@]2(C)CNC(=O)C2)CC1 1228403547 ZYHDLLUPCPQHAN-MRXNPFEDSA-N 307.394 -0.257 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)Cc2nonc2C)CC1 1229832342 OCFRTOMAHQXSPY-UHFFFAOYSA-N 321.381 -0.197 30 20 DBED C#CCCN1CCC(NC(=O)CCS(=O)(=O)N(C)C)CC1 1230334105 HJAUZTDFNQEPRS-UHFFFAOYSA-N 315.439 -0.128 30 20 DBED CCn1ncc(C(=O)N(C)C[C@@H]2CCN2CC(=O)NCC#N)n1 1234057714 CLUSEQUMOGKWJF-NSHDSACASA-N 319.369 -0.916 30 20 DBED CN1CCN(C)[C@H](CNC(=O)C(=O)N2CCC[C@](C)(C#N)C2)C1 1258383944 QEEAENVUXXQTHN-CZUORRHYSA-N 321.425 -0.499 30 20 DBED CC1=CC(=O)[C@H](C(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)C(=O)O1 1317779404 IHPJJNOHZPTKLY-RXNFCKPNSA-N 318.285 -0.688 30 20 DBED CCOCCS(=O)(=O)NCCN/C(O)=C1\N=CC=CC1=O 1318643992 MHEGEONDWPFREE-VAWYXSNFSA-N 317.367 -0.531 30 20 DBED C[C@](CO)(NC(=O)NCCN/C(O)=C1/N=CC=CC1=O)C1CC1 1319247911 NCXKGZDGXLHDSC-WIDZWVOGSA-N 322.365 -0.027 30 20 DBED COC(=O)c1cnc(C(=O)NC2CCN(CC#N)CC2)cn1 1320244578 GAMGUCHDHJHBOA-UHFFFAOYSA-N 303.322 -0.019 30 20 DBED C#CCNC(=O)C1CCN(C(=O)C(=O)NC[C@@H]2CCCO2)CC1 1321363849 DCQWFZMGXBGBJB-ZDUSSCGKSA-N 321.377 -0.730 30 20 DBED Cn1[nH]cc2c(=NC(=O)C(=O)N3CCO[C@H](C#N)C3)ccnc1-2 1323650173 HKASLPCRQXVEQU-SECBINFHSA-N 314.305 -0.969 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)NCc1nnnn1CC1CC1 1324034133 IVBHUICXBALSGF-SNVBAGLBSA-N 308.342 -0.984 30 20 DBED C=CCCOCCNC(=O)C(=O)N1CC[C@@H](n2cncn2)C1 1325301094 OMSFTHQRFFPCHF-GFCCVEGCSA-N 307.354 -0.240 30 20 DBED C=CCOCCNC(=O)C(=O)N1CCC[C@@H](C(=O)NC2CC2)C1 1327094763 IDEUENXPRQMDRD-GFCCVEGCSA-N 323.393 -0.178 30 20 DBED CC(=O)N1CCc2cc(C(=O)NCC(=O)NCC#N)ccc21 1329331789 RYLNQBDBRNMVGN-UHFFFAOYSA-N 300.318 -0.035 30 20 DBED CN(C)C[C@](C)(O)CNC(=O)C(=O)Nc1cccc(C#N)n1 1332158191 SUONFQPJBYLMSR-CQSZACIVSA-N 305.338 -0.679 30 20 DBED COc1ccncc1NC(=O)C(=O)N1CC[C@](O)(CC#N)C1 1332173915 NKWGTIUYMGVPPO-CQSZACIVSA-N 304.306 -0.094 30 20 DBED C[C@@H]1c2nncn2CCN1C(=O)C(=O)N1CCC[C@H](C#N)C1 1335015117 HHXHUKXEXZSEBT-GHMZBOCLSA-N 302.338 -0.057 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N[C@@H]1CCCN(CC)C1=O 1335101625 VPVXVENOBSKIIU-CYBMUJFWSA-N 323.393 -0.388 30 20 DBED C#CCN1CCC[C@H](NC(=O)C(=O)N=c2cc[nH]c(C)c2)C1 1337443343 VITMDLLYELZYAC-AWEZNQCLSA-N 300.362 -0.036 30 20 DBED C#CCN1CCC(C(=O)N2CCOC[C@@H]2c2nn[nH]n2)CC1 1339697859 CDUBFQYCTAVVMN-GFCCVEGCSA-N 304.354 -0.555 30 20 DBED CCc1cc(CNC(=O)C(=O)NC2CCN(CC#N)CC2)n[nH]1 1341933372 GHKFUEKEKSHZMP-UHFFFAOYSA-N 318.381 -0.308 30 20 DBED N#Cc1ccc2c(c1)N(C(=O)C(=O)N1CC(CC(N)=O)C1)CC2 1344453085 LLMVEKDSGHFNFV-UHFFFAOYSA-N 312.329 -0.219 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2[C@H]3CC[C@H]2COC3)nn1 1345710293 GQLCYSPAUOOFCA-RYUDHWBXSA-N 305.338 -0.530 30 20 DBED CN(CC1CCOCC1)C(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1345966710 VKDUFNGDPABSSF-HNNXBMFYSA-N 309.366 -0.252 30 20 DBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCC(=O)NOCC 1346390316 YAWHFJMFFIHWPJ-JQWIXIFHSA-N 313.354 -0.732 30 20 DBED CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1349215232 RPSXUFUSVFRBBH-BBRMVZONSA-N 322.409 -0.146 30 20 DBED C=CCn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](C(N)=O)C1 1355929695 OEQJQYYRWYTYPU-WDEREUQCSA-N 307.354 -0.342 30 20 DBED N#Cc1cn(CCNC(=O)[C@H]2CC23CCOCC3)c(=O)nc1O 1362690383 SQWWVTSDKPDPHJ-LLVKDONJSA-N 318.333 -0.247 30 20 DBED CC[C@@H]1CN(C(=O)CCn2cc(C#N)c(O)nc2=O)C[C@@H]1O 1362812706 PHKQCZUJRWBOBC-KOLCDFICSA-N 306.322 -0.560 30 20 DBED CCN(CCC#N)C(=O)CN1CC[C@H](NC(=O)c2cnn[nH]2)C1 1367006958 LQPDYSJWLDZNDX-NSHDSACASA-N 319.369 -0.629 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNCC(=O)N(C)Cc1ccco1 1367582398 OUHCPSAZOFXJOU-RYUDHWBXSA-N 322.365 -0.536 30 20 DBED Cc1cc(OCC(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2O)no1 1371462181 UJPSTJLRQYQGLM-FBIMIBRVSA-N 322.321 -0.791 30 20 DBED C[C@@H](C#N)C(=O)NC[C@](C)(NC(=O)c1cnnn1C)C1CC1 1375352957 KUKZOXIOOALBBU-XPTSAGLGSA-N 304.354 -0.011 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)COc1ccccc1F 1376614375 MTJFQTRYPUFQIU-MNOVXSKESA-N 323.324 -0.043 30 20 DBED CC(=O)N[C@@H](C)C(=O)NC1CN(C(=O)c2ccc(C#N)[nH]2)C1 1409026533 WILIPZSDSPFKES-QMMMGPOBSA-N 303.322 -0.648 30 20 DBED CCN(CCNC(=O)[C@H](C)C#N)C(=O)CNC(=O)N1CCCC1 1415722048 VCVXLCSXZPFALF-GFCCVEGCSA-N 323.397 -0.084 30 20 DBED Cc1cnn(CC(=O)NC[C@@]2(O)CCN(C(=O)[C@@H](C)C#N)C2)c1 1434336952 LQLLMOXJUBTNQN-WFASDCNBSA-N 319.365 -0.569 30 20 DBED CN(CCNC(=O)[C@@H]1CCCC(=O)N1C)c1nccnc1C#N 1436006443 WEYRJZDUUYRMCM-LBPRGKRZSA-N 316.365 -0.088 30 20 DBED C[C@H](C#N)C(=O)NC1CN(C(=O)C2CCN(C(N)=O)CC2)C1 1450490088 CDFIGVDEVDPRRS-SECBINFHSA-N 307.354 -0.736 30 20 DBED C[C@@H]1CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)C[C@H]1CO 1453948627 KSESECWNQLZYEH-KOLCDFICSA-N 306.322 -0.703 30 20 DBED CNC(=O)c1ccc(C(=O)N2CC(NC(=O)[C@H](C)C#N)C2)cn1 1456397356 RQJBGRZTKXTSTQ-SECBINFHSA-N 315.333 -0.459 30 20 DBED CC(=O)N[C@@H](C)C(=O)NC[C@@H](C)CNC(=O)c1cc(C#N)c[nH]1 1457257330 MAXZKTXEAVMWNW-ZJUUUORDSA-N 319.365 -0.107 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1 1490949668 OPVSWASXFKTZQE-YDHLFZDLSA-N 308.426 -0.441 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@](C)(NC(=O)CS(C)(=O)=O)C1 1506414053 PGZVSGZUYIURMJ-CABZTGNLSA-N 301.368 -0.702 30 20 DBED C#CCNC(=O)C1CCN(C(=O)N[C@@H](C)c2nnnn2C)CC1 1521784516 MNMSDXQNSYECRU-JTQLQIEISA-N 319.369 -0.558 30 20 DBED CNC[C@H](O)[C@H](C)C(=O)N1CCN(c2ncccc2C#N)CC1 1578641652 VWJCYOVBQBZRTE-JSGCOSHPSA-N 317.393 -0.182 30 20 DBED Cn1nnc2c1CC[C@H](NC(=O)C1CC3(CNC[C@H]3C#N)C1)C2 1580017516 SYJMVXQMBFGHHZ-QNGPIJNLSA-N 314.393 -0.072 30 20 DBED N#Cc1csc(CNC(=O)NCC(=O)N2CCNCC2)n1 1580081309 BIROXDSHHZVRFM-UHFFFAOYSA-N 308.367 -0.754 30 20 DBED C#CC[C@@H](NC(=O)c1ccc(-c2nn[nH]n2)cn1)C(=O)OC 1588333675 BCEIELFECLUBAL-SNVBAGLBSA-N 300.278 -0.444 30 20 DBED C#CC[C@H](NC(=O)c1ccnc(N2CCOCC2)n1)C(=O)O 1588417152 ZCIOLAIJIMBZBG-NSHDSACASA-N 304.306 -0.481 30 20 DBED C=CCOC[C@@H](NC(=O)C[C@H]1C=CS(=O)(=O)C1)C(=O)O 1588854008 NWCDYDTVKHQZDP-NXEZZACHSA-N 303.336 -0.293 30 20 DBED CC1(C(=O)O)CCN(C(=O)C(=O)N2CCO[C@@](C)(C#N)C2)CC1 1589181843 RVJDIWQUDMHVOB-HNNXBMFYSA-N 323.349 -0.159 30 20 DBED C[C@H](C#N)CN(C)C(=O)C(=O)N1CCN(C(C)(C)C(=O)O)CC1 1589329450 NBFWRWUJHPRMEN-LLVKDONJSA-N 324.381 -0.388 30 20 DBED N#C[C@@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CC(CO)C1 1592664890 KEOUINMEUMMMET-CYBMUJFWSA-N 312.333 0.000 30 20 DBED N#Cc1cn(CC(=O)O)c(=O)n(C[C@@H]2CC[C@H](C3CC3)O2)c1=O 1594632838 DSFBVHLGRJTOBN-NWDGAFQWSA-N 319.317 -0.076 30 20 DBED COC(=O)[C@@H](CC(=O)O)NS(=O)(=O)c1cccnc1C#N 1598693238 CZMFZJKLAFEKDO-SSDOTTSWSA-N 313.291 -0.752 30 20 DBED C=CCNC(=O)CNC(=O)c1ccc(-c2nn[nH]n2)c(O)c1 1602862504 FVSLDTIAIMQFJI-UHFFFAOYSA-N 302.294 -0.396 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N1CCC(O)(C(=O)O)CC1 1604061312 RYGRBLBBOSWXNW-SECBINFHSA-N 305.356 -0.623 30 20 DBED CCOC(=O)C[C@@H](O)Cn1c(C)nc(C#N)c1-c1nn[nH]n1 1604371638 GDERETWJFDBAHA-MRVPVSSYSA-N 305.298 -0.443 30 20 DBED N#Cc1cn(CC(=O)O)c(=O)n(CC(=O)c2nccs2)c1=O 1605622975 MEIAHDNPIISLBD-UHFFFAOYSA-N 320.286 -0.694 30 20 DBED N#Cc1ccc(OCC(=O)NCc2nnc3c(=O)[nH]ccn23)cc1 1626142267 FLQPHWZFQSTHCP-UHFFFAOYSA-N 324.300 -0.016 30 20 DBED CCNS(=O)(=O)[C@H]1CCN(C(=O)C2(C#N)CCOCC2)C1 1649739798 XYRKLUMTUZDROO-NSHDSACASA-N 315.395 -0.153 30 20 DBED C#CCCN1CCN(CCN(C)C(=O)[C@H]2CCC(=O)NC2)CC1 1753342770 XEAYTYHTRIZKPX-HNNXBMFYSA-N 320.437 -0.388 30 20 DBED C=C(C)CCN1CC(CNC(=O)CS(=O)(=O)N(C)C)C1 1753414253 FWXUKUCCFRYZTM-UHFFFAOYSA-N 303.428 -0.108 30 20 DBED C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)NS(C)(=O)=O 1753425209 PXMCMDAOMYYJQF-WOPDTQHZSA-N 301.412 -0.215 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@@H]1CCN(CCN2C(=O)CNC2=O)C1 1753432789 VYTCYSOSQQFMQW-WDEREUQCSA-N 307.354 -0.769 30 20 DBED C#CCNC(=O)CNC[C@H](O)CNC(=O)[C@H](C)c1cccs1 1753927251 HFGQDWWKXRMWNT-NEPJUHHUSA-N 323.418 -0.332 30 20 DBED C=C(C)CNC[C@@H]1CCCN1C(=O)CNS(=O)(=O)N(C)C 1754617034 AIWOGDHDFYUENA-LBPRGKRZSA-N 318.443 -0.461 30 20 DBED C=CCOCCCC(=O)NCC1(O)CN([C@@H]2CCNC2=O)C1 1754766531 UMGPVCWJYINFDV-GFCCVEGCSA-N 311.382 -0.979 30 20 DBED C=CCOCCN1CCOC[C@@H]1CNC(=O)Cc1cnc[nH]1 1754972985 UBKFTFCWOSIBAG-AWEZNQCLSA-N 308.382 -0.028 30 20 DBED N#CCNC(=O)CN1CCC[C@H](NC(=O)c2ccncn2)CC1 1755031112 NAVBBDAJKKIQQM-LBPRGKRZSA-N 316.365 -0.299 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H]2[C@H](CNC(=O)c3nc[nH]n3)[C@H]2C1 1755430030 NVBMNSVTEPCXSF-FIQHERPVSA-N 318.381 -0.597 30 20 DBED C=CCCC(=O)NC[C@@H](CO)NC[C@H]1CCS(=O)(=O)C1 1755622193 CTNFVRAZIJZMAW-NEPJUHHUSA-N 304.412 -0.546 30 20 DBED COCC#CCNC[C@H](O)CN(C)C(=O)[C@H](F)C(F)(F)F 1755779646 NQAAGERTXUNYRN-UWVGGRQHSA-N 314.279 -0.055 30 20 DBED C#CCNC(=O)CNC[C@@H](NC(=O)[C@@H]1CCOC1)C(C)(C)C 1755819291 AMIDVHKUVVGMAC-CHWSQXEVSA-N 309.410 -0.107 30 20 DBED C=C1CC(C)(C(=O)N[C@H](CO)CNC(=O)C[C@H]2CCC(=O)N2)C1 1756532324 HPQHTGCFRANXLA-NEPJUHHUSA-N 323.393 -0.395 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H](CO)CNC(=O)c1ccnnc1C 1756534727 CIYHHQPOGYMFAN-NWDGAFQWSA-N 322.365 -0.417 30 20 DBED CC(C)C#CC(=O)N(C)C[C@@H](O)CNC(=O)C1=COCCO1 1756661721 DBXXSPBLYTYMTE-LBPRGKRZSA-N 310.350 -0.531 30 20 DBED C=CCCC(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C[C@@H]1O 1757561436 IFPZCDAUAOYPHV-PWSUYJOCSA-N 320.349 -0.572 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/C(=O)OCC)C2 1800451296 VTNUVPZEAXSOPY-PFMAJKDLSA-N 320.345 -0.672 30 20 DBED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)c2ccccn2)C1 1842387929 PNGFHLLFBSSGPE-UHFFFAOYSA-N 313.313 -0.013 30 20 DBED N#Cc1cccc(CS(=O)(=O)N[C@@H](CC(N)=O)C(=O)O)c1 37420811 WBQXQBNMDXZHEO-JTQLQIEISA-N 311.319 -0.694 30 20 DBED C=CCOc1ccc(C(=O)N(CC(N)=O)CC(N)=O)cc1OC 68340520 BUUKUYXEBURYJC-UHFFFAOYSA-N 321.333 -0.327 30 20 DBED Cc1cc(C(=O)NC[C@@H](C)C#N)nc2c1c(=O)n(C)c(=O)n2C 172351084 HNTGTOXRRFXWBK-QMMMGPOBSA-N 315.333 -0.170 30 20 DBED C[C@@H](C#N)CNS(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1 173975646 DMOGVJBPQOSCSG-ZETCQYMHSA-N 308.319 -0.346 30 20 DBED C=CCNC(=O)CNC(=O)NC[C@H](C(C)C)N1CCOCC1 180303999 KFVRZINJCAGMTI-CYBMUJFWSA-N 312.414 -0.055 30 20 DBED Cc1cc(C#N)ccc1S(=O)(=O)NCCNS(C)(=O)=O 226155378 NZZALIRHKHOYBB-UHFFFAOYSA-N 317.392 -0.306 30 20 DBED N#Cc1ccc(N2CCN(C(=O)CN3CCOCC3)CC2)nc1 247639527 GDHCVRFUDKRUBG-UHFFFAOYSA-N 315.377 -0.066 30 20 DBED C/N=C(/NC[C@H](O)C(F)(F)F)N[C@@H]1CCc2nc(C)nn2C1 262753981 ALQIJLSDGRTNFL-BDAKNGLRSA-N 320.319 -0.010 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCC2(N)CCCCC2)C1=O 269117868 WPXAPVBDNLFOHL-UHFFFAOYSA-N 322.365 -0.259 30 20 DBED C#CCSCCNC(=O)C(=O)Nc1cncnc1N(C)C 273650066 DZFPJHPEGQLQPD-UHFFFAOYSA-N 307.379 -0.036 30 20 DBED N#Cc1ccc2c(c1)N(C(=O)C(=O)N1C[C@@H](O)C[C@H]1CO)CC2 275940147 ASZYPRCIZLABQZ-STQMWFEESA-N 315.329 -0.599 30 20 DBED C=CCCOCCNC(=O)C(=O)N(C)[C@@H]1CCN(CC=C)C1=O 289373469 JWDYUJCGQTYAPU-CYBMUJFWSA-N 323.393 -0.059 30 20 DBED CC[C@H](CO)NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 290322656 IMYKVXHLHLOTAA-LLVKDONJSA-N 311.363 -0.276 30 20 DBED N#C[C@@H]1COCCN1C(=O)CNS(=O)(=O)c1cccnc1 290929035 UZCCLAIZZQYIIB-SNVBAGLBSA-N 310.335 -0.889 30 20 DBED CC(C)[C@@](C)(C#N)NC(=O)CN(C)CC(=O)N1CCOCC1 302585935 AMTDUPWUKWBMGP-OAHLLOKOSA-N 310.398 -0.169 30 20 DBED C[C@H](O)CN1CCN(S(=O)(=O)N(C)[C@H](C)CC#N)CC1 337844335 WNNQMWNWBMZKBZ-NEPJUHHUSA-N 304.416 -0.536 30 20 DBED COC[C@](C)(C#N)NC(=O)CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O 342900180 ZZLFNXKPBVZSOJ-PGUXBMHVSA-N 305.334 -0.018 30 20 DBED C[C@H](Sc1nnnn1C1CC1)C(=O)NCC(=O)NCC#N 343501401 ADMXBYMWXMYGFS-ZETCQYMHSA-N 309.355 -0.755 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)Cc2cnn(C)c2)CC1 344194881 QCLNRCLLUCDMHP-UHFFFAOYSA-N 305.382 -0.591 30 20 DBED N#CCCCCS(=O)(=O)NCCCN1CCC[C@@H]1C(N)=O 345116118 GOKGVHUSIOCBNC-GFCCVEGCSA-N 316.427 -0.061 30 20 DBED C=C[C@@H](CO)NC(=O)C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O 354572076 UZGGYBCEUFMOJS-QMMMGPOBSA-N 317.301 -0.486 30 20 DBED Cn1ncc(C(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)c1C#N 355118420 WKUILRNKNHCXCS-VIFPVBQESA-N 311.367 -0.554 30 20 DBED C[C@@](O)(CNC(=O)c1ccc(C#N)nc1)CN1CCOCC1 359844678 YOYVFLJMNUQIGU-OAHLLOKOSA-N 304.350 -0.234 30 20 DBED C=CCN1CC[C@@H](N2CCC[C@H](n3cnc(C(N)=O)n3)C2)C1=O 375613322 NIOUIPMGIPEYPR-NWDGAFQWSA-N 318.381 -0.199 30 20 DBED CC1(C)CCCN1CCNS(=O)(=O)N1CCO[C@@H](C#N)C1 452095682 ZDSWRLMXZUKEQJ-LBPRGKRZSA-N 316.427 -0.080 30 20 DBED C#CCNC(=O)CCN1CCN(c2nccnc2C#N)C[C@@H]1C 491118343 CRLWVNKGGMINOB-ZDUSSCGKSA-N 312.377 -0.002 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CCOC[C@@H]2C)CC1 491505092 KKHCUGAPUZJKGL-GJZGRUSLSA-N 321.421 -0.057 30 20 DBED C#C[C@@H](C)N(C)C(=O)CCNS(=O)(=O)c1cn(C)c(C)n1 491748758 YNMHVDHPKVDROI-SNVBAGLBSA-N 312.395 -0.123 30 20 DBED Cn1c(NCc2nc(C(C)(C)C)n[nH]2)c(C#N)c(=O)n(C)c1=O 563871615 AECIWWNUZZVKGG-UHFFFAOYSA-N 317.353 -0.017 30 20 DBED Cn1c(N2CCC[C@H](CC(=O)O)C2)c(C#N)c(=O)n(C)c1=O 570065638 JRZWFZFDTXUXOT-SECBINFHSA-N 306.322 -0.353 30 20 DBED CCN[C@H](C)CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 571683383 MVSDKNJDFJVLAN-LLVKDONJSA-N 324.406 -0.049 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H](CC(=O)O)C(=O)O 574329508 IWSFPVYZJJEULK-SFYZADRCSA-N 307.328 -0.770 30 20 DBED COc1c(C#N)ccc(=O)n1CC(=O)NCC(=O)NC(C)(C)C 596281781 BTLDMFDJWPMKDP-UHFFFAOYSA-N 320.349 -0.241 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N(C)[C@]1(CO)CCOC1 601427130 VUNOXFQIXDIITJ-NEPJUHHUSA-N 305.400 -0.204 30 20 DBED CCOC[C@H]1CCN(C(=O)C(=O)N2CCN(CCC#N)CC2)C1 601473461 GQUPFGCQDWNVAL-AWEZNQCLSA-N 322.409 -0.071 30 20 DBED CCOC(CN=c1ccc(C#N)n[nH]1)CN=c1ccc(C#N)n[nH]1 611764855 PAGWRAOTXSSTFT-UHFFFAOYSA-N 324.348 -0.217 30 20 DBED CC(=O)NCCc1ccc(S(=O)(=O)NCC#CCO)s1 632516390 DZNVRHPFJHLWMS-UHFFFAOYSA-N 316.404 -0.299 30 20 DBED CC#CC[C@H](CO)NC(=O)c1cc(S(=O)(=O)N(C)C)c[nH]1 649190126 UEKHSPIOTXOGQP-SNVBAGLBSA-N 313.379 -0.231 30 20 DBED C=CC[C@@H]1CCCN(C(=O)C(=O)N2CCO[C@H](C(=O)NC)C2)C1 658688401 NBQJLTMQVXRFFR-OLZOCXBDSA-N 323.393 -0.226 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCC(NC(=O)COC)CC1 730277925 HGMNWWXBPVVHOV-AWEZNQCLSA-N 307.394 -0.162 30 20 DBED C#CCOc1cccc(NC(=O)C(=O)NC[C@@H](O)CN(C)C)c1 731123064 CIGLMHDOECNUEN-CYBMUJFWSA-N 319.361 -0.324 30 20 DBED C=C(C)CN(CC)C(=O)COC(=O)CN1CCC(=O)NC1=O 733560990 ZAPMSPJWXVQTSQ-UHFFFAOYSA-N 311.338 -0.104 30 20 DBED N#CCN(CC(=O)O)C(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 739076950 FJULBOZUZMUILY-RBJBARPLSA-N 317.301 -0.770 30 20 DBED Cc1[nH]nc(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)c1O 747656062 ADBIPMFMAGBDCZ-FMIVXFBMSA-N 305.294 -0.320 30 20 DBED C#CCNC(=O)CN(c1ccc(C(=O)OC)cc1)S(C)(=O)=O 747834141 GHSFQELGMFUYBV-UHFFFAOYSA-N 324.358 -0.011 30 20 DBED C#CCOCCC(=O)N1CCCC[C@@H]1CNS(C)(=O)=O 755465978 WBXOSSADJHNIOG-GFCCVEGCSA-N 302.396 -0.043 30 20 DBED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)c2n[nH]c(O)n2)C1 758773909 SVRQCCSSMGIHON-YUMQZZPRSA-N 322.325 -0.001 30 20 DBED C#CCNS(=O)(=O)N1CCN(CCCC(=O)OC)CC1 761033723 ZKFGUMOEMWEQTQ-UHFFFAOYSA-N 303.384 -0.975 30 20 DBED C#C[C@H](NC(=O)NCCC(=O)N1CCOCC1)[C@H]1CCCO1 773214619 WMTGCQMAGBRDFZ-QWHCGFSZSA-N 309.366 -0.285 30 20 DBED C#CCOc1ccccc1NC(=O)C(=O)NCCOCCO 773331915 KPMIDJOSLHKJJC-UHFFFAOYSA-N 306.318 -0.238 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NOC2CCN(C)CC2)C1=O 773550137 IXMPBMMGAAWFSP-UHFFFAOYSA-N 324.337 -0.895 30 20 DBED CC(C)(C)OC(=O)CS(=O)(=O)CCN1CCOC[C@H]1C#N 808736429 CPURHQLFJGYANF-LLVKDONJSA-N 318.395 -0.033 30 20 DBED C=C[C@H](O)C(=O)O[C@H](C)C(=O)N1CCN(C(=O)OCC)CC1 814550790 WGZBZVXMIFMIKM-MNOVXSKESA-N 314.338 -0.234 30 20 DBED Cc1c(C(=O)OCC(=O)NCCC#N)nnn1-c1ccn(C)n1 814577827 SYIDBGBCDUCFBC-UHFFFAOYSA-N 317.309 -0.504 30 20 DBED C#CCNC(=O)C1CCN(C(=O)[C@](C)(C#N)CC(=O)O)CC1 819700646 ADXJSQYAGHTFCL-HNNXBMFYSA-N 305.334 -0.021 30 20 DBED Cn1cc(N2CC[C@@H](NC(=O)[C@@](C)(C#N)CC(=O)O)C2=O)cn1 821297642 DTZVYLWNRPZZTB-QMTHXVAHSA-N 319.321 -0.354 30 20 DBED COCCNC(=O)[C@@H](C#N)C(=O)c1cc(-c2nn[nH]n2)cn1C 821691108 JAZYGPQWZNMDEP-VIFPVBQESA-N 317.309 -0.710 30 20 DBED COc1cccc(C(=O)NCC(=O)N[C@H]2CNC[C@@H]2C#N)c1 834500328 SCUCCHFBPRXLTB-AAEUAGOBSA-N 302.334 -0.347 30 20 DBED C#CCSCC(=O)OCc1nc2c(=O)n(C)c(=O)n(C)c2[nH]1 885894469 VHVONVOIYOASKL-UHFFFAOYSA-N 322.346 -0.630 30 20 DBED CCN(C(=O)C(=O)N1CCN(CCC#N)CC1)[C@H]1CCNC1 887070239 JBKACTNLOFNOFI-ZDUSSCGKSA-N 307.398 -0.745 30 20 DBED C#CCN1CCN(C(=O)CN2CC[C@H](C(=O)OCC)C2)CC1 932646410 ZBEAZXAUGRZNPU-AWEZNQCLSA-N 307.394 -0.351 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H](NC(=O)c3cc[nH]n3)C2)nn1 937704309 LCVQVPXLEHXKRC-JTQLQIEISA-N 315.337 -0.168 30 20 DBED C[C@@H]1CN(C(=O)CN2C(=O)NC(C)(C)C2=O)C[C@H]1NCC#N 939672779 UKYSKMIINTVEMH-NXEZZACHSA-N 307.354 -0.723 30 20 DBED C[C@@H](C#N)C(=O)N1CCCN(C(=O)[C@]2(C)CCC(=O)N2)CC1 942152615 CADUOTCJSKFLRF-NHYWBVRUSA-N 306.366 -0.124 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[C@H](NC(=O)C(N)=O)CC1 943711330 OZESPLPOGWMDRP-CYDGBPFRSA-N 323.393 -0.004 30 20 DBED C=CCCN1CCOC2(CCN(C(=O)Cn3cnnn3)CC2)C1 949291570 KNYONWHKCAEHLC-UHFFFAOYSA-N 320.397 -0.057 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CCC[C@H](C1)N2C(=O)[C@H]1C[C@H]1C(N)=O 952785370 IEVXFLKQRCQBOI-LBELIVKGSA-N 318.377 -0.141 30 20 DBED COCC(=O)N1CCN([C@H]2CCN(C(=O)C#CC3CC3)C2)CC1 956577912 KRLRJYFETOUUNN-HNNXBMFYSA-N 319.405 -0.209 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@](C)(NC(=O)c2cn(C)c(=O)cn2)C1 957277671 WZANJOYIVVGGHS-ZUZCIYMTSA-N 317.349 -0.339 30 20 DBED Cn1nc(C2CC2)cc1C(=O)NC[C@H]1CN(CC#N)C[C@@H]1O 958111703 OYUDGIWWIMTHDV-FZMZJTMJSA-N 303.366 -0.156 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H]2CN(C(=O)c3cnnn3C)C[C@@H]21 960884800 UMFLOXOIWKTTMP-ZMLRMANQSA-N 318.337 -0.973 30 20 DBED Cn1nnc(C(=O)NC2[C@@H]3CN(Cc4cccc(C#N)c4)C[C@@H]23)n1 961530086 PMSAAMBIMMNCHH-CHWSQXEVSA-N 323.360 -0.058 30 20 DBED N#Cc1ccc(CN2C[C@H]3C(NC(=O)C(N)=O)[C@@H]3C2)c(F)c1 961643364 WBINIYHFFQEQTG-GHMZBOCLSA-N 302.309 -0.271 30 20 DBED C#CCN1C[C@@H]2C(NC(=O)c3cnn(CCN(C)C)c3)[C@H]2C1 962016790 LHJJUPAOJRBTLG-KBPBESRZSA-N 301.394 -0.262 30 20 DBED N#CCN1CCC[C@@H]1[C@@H]1CCCN(C(=O)Cn2cnnn2)C1 963264607 OUQIASWKPARILN-CHWSQXEVSA-N 303.370 -0.100 30 20 DBED Cc1ccnc(C(=O)NC[C@@H]2COCCN2C(=O)[C@H](C)C#N)n1 964166797 KFXOBBFXKQRILZ-ZYHUDNBSSA-N 317.349 -0.098 30 20 DBED COCC(=O)N1CC2(C1)CN(C(=O)c1ccc(C#N)[nH]1)CCO2 965358010 GTJCVHKMEOKJQY-UHFFFAOYSA-N 318.333 -0.414 30 20 DBED C[C@H](C#N)C(=O)N1CC2(C[C@@H](NC(=O)Cc3ncc[nH]3)CO2)C1 965785480 LVYLDRQPPCYAGZ-GHMZBOCLSA-N 317.349 -0.402 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)Cc3cnn(C)c3)C2)C1 972290949 JXTHDCYJKILQFQ-MRXNPFEDSA-N 302.378 -0.101 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)[C@H](C)n3cncn3)C2)C1 972348791 SIGWTLBUWXUXJX-DZGCQCFKSA-N 303.366 -0.224 30 20 DBED C[C@@H]1[C@H](NCc2nnnn2C)CCN1C(=O)c1ccc(C#N)[nH]1 986189632 XEYDPYGRXCWMRC-MWLCHTKSSA-N 314.353 -0.197 30 20 DBED C=C(Cl)CN[C@H]1CCN(C(=O)CN2CCNC(=O)C2)[C@@H]1C 986669280 ILHGRYOSSQQEJJ-NEPJUHHUSA-N 314.817 -0.250 30 20 DBED N#Cc1cc(C(=O)NC2CN(C(=O)Cc3cncnc3)C2)c[nH]1 990931410 SABIRNIHXZZGTR-UHFFFAOYSA-N 310.317 -0.140 30 20 DBED C=CCN[C@H]1CCCN(C(=O)Cn2ncn3nccc3c2=O)C1 1000370696 SGDQRKWJYFIMBB-LBPRGKRZSA-N 316.365 -0.342 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C(=O)[C@H](C)N2C(=O)CCC2=O)CC1 1011251395 PQSLXDOWTMOBFI-QWRGUYRKSA-N 320.349 -0.646 30 20 DBED C[C@@H]1[C@@H](NC(=O)C(N)=O)CCCN1C(=O)c1c[nH]c(C#N)c1 1015179554 QECCURDZTNTTHO-KCJUWKMLSA-N 303.322 -0.519 30 20 DBED C=CCCn1cc(C(=O)N[C@@H]2CCN(CC(=O)N(C)C)C2)nn1 1015820274 FHMLBWVALSETJJ-GFCCVEGCSA-N 320.397 -0.254 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)C1 1016341931 WCMRWVIFIAJDMY-LBPRGKRZSA-N 318.381 -0.806 30 20 DBED CC#CCN1CCC2(CC1)C[C@@H]2NC(=O)c1nnc(O)nc1O 1016713185 UAVLXJUFBVOOQQ-JTQLQIEISA-N 317.349 -0.110 30 20 DBED C#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)CN2CCOCC2=O)C1 1021605137 KIZJJBZTDNCVNC-LSDHHAIUSA-N 319.405 -0.209 30 20 DBED C=CCn1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)C3(C)CC3)C2)nn1 1024096186 AYHLXMDZSIREHX-ZYHUDNBSSA-N 319.365 -0.434 30 20 DBED C#CCN[C@@H]1CC[C@H]2CN(C(=O)CN3CCC(=O)NC3=O)C[C@@H]21 1026398807 NUJOBWBDHFSNRS-RWMBFGLXSA-N 318.377 -0.612 30 20 DBED C#CCCN1CC[C@H](CNC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 1028707698 VNHLYMHDCYHLIU-OCCSQVGLSA-N 315.377 -0.173 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN(Cc2nncn2C)C1 1030462273 OUCYGEYGSKEYPA-ZDUSSCGKSA-N 302.382 -0.787 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)[C@H]3CCC(=O)NC3)C2)C1=O 1030590152 KOBREAFJRKYZPI-AAEUAGOBSA-N 320.393 -0.900 30 20 DBED C=C(Cl)CN1CCO[C@H](CNC(=O)[C@H]2CCNC2=O)C1 1035472524 DKQXXHBKMVGYPB-MNOVXSKESA-N 301.774 -0.308 30 20 DBED C[C@H]1CN(C(=O)c2cnc(O)n(C)c2=O)CC[C@H]1NCC#N 1036140637 LJSRHHPEVWGPRT-GXSJLCMTSA-N 305.338 -0.550 30 20 DBED C[C@@H]1CC[C@H](C(=O)N[C@@H]2CN(c3ccc(C#N)nn3)C[C@H]2O)O1 1041360282 SQHSAKUECVLHRH-OJAKKHQRSA-N 317.349 -0.419 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CN(C)C[C@H]2C)C1 1041963765 ZDNYAGIRASASAD-CHWSQXEVSA-N 309.410 -0.160 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)[C@@H](C)n2cccc2)C1 1042585965 XSKPIIFWSFBGQC-NWDGAFQWSA-N 304.350 -0.102 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)[C@H]2CN(C)C[C@H]2C)C1 1042941600 PJSSFCVHOPUCLX-KGLIPLIRSA-N 321.421 -0.467 30 20 DBED CO[C@@H]1CC[C@H](C(=O)N2CC(O)(CNC(=O)C#CC3CC3)C2)C1 1042963340 MCNZNQQXTXVCNR-UONOGXRCSA-N 320.389 -0.096 30 20 DBED COCC1(CC(=O)NCC2(O)CN(C(=O)[C@H](C)C#N)C2)CC1 1042987727 KESSVGYRSHFOLC-LLVKDONJSA-N 309.366 -0.348 30 20 DBED C=C(C)CCC(=O)NCC1(O)CN(C(=O)[C@H]2CC[C@@H]2C(N)=O)C1 1043315634 QEXBLYVVNIBUDN-RYUDHWBXSA-N 323.393 -0.456 30 20 DBED N#Cc1cncc(N2C[C@H](O)[C@H](NC(=O)C3CCOCC3)C2)n1 1043828209 XJSLDGNNTSAQLD-OLZOCXBDSA-N 317.349 -0.559 30 20 DBED C=C[C@H](C)[C@H](C)C(=O)NCC1(O)CN(C(=O)Cn2cncn2)C1 1044981537 YPAGRUXHKDZLLQ-RYUDHWBXSA-N 321.381 -0.574 30 20 DBED CN1CCC[C@@H]1C(=O)N1CCN([C@@H]2CCN(CC#N)C2)CC1 1046010983 YBANMQFNKZAVFS-HUUCEWRRSA-N 305.426 -0.177 30 20 DBED Cc1nonc1C(=O)N1CCN([C@@H]2CCN(CC#N)C2)CC1 1046090497 WRDDZHLUWKCEPA-GFCCVEGCSA-N 304.354 -0.266 30 20 DBED C#CCCCCC(=O)N1CC(O)(CNC(=O)Cn2cncn2)C1 1046865628 AEOCTECXCUVFGJ-UHFFFAOYSA-N 319.365 -0.839 30 20 DBED N#CCN1C[C@H]2C[C@H](NC(=O)c3nnc(O)nc3O)C[C@H]1C2 1047104153 NSZALEJLPWFINA-XHNCKOQMSA-N 304.310 -0.611 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2COCCN2C)C1 1047356267 XEUMACFFMGJBMR-AVGNSLFASA-N 317.817 -0.427 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cn(C)nn2)C1 1048781707 HYWQTKQTRDRRSP-STQMWFEESA-N 319.365 -0.882 30 20 DBED Cc1ncc(CC(=O)N2C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)C#N)C2)o1 1049401905 MGBHKIFHCNXDBO-ICCXJUOJSA-N 320.349 -0.285 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H]2CN(Cc3nc(=O)n(C)[nH]3)C[C@H]21 1049999625 LDPVULPYYVBNME-SDDRHHMPSA-N 318.381 -0.309 30 20 DBED N#Cc1cc(C(=O)N2CCC[C@H]3CN(CC(N)=O)C[C@H]32)c[nH]1 1050026140 PXTUATNDQFNICU-GXFFZTMASA-N 301.350 -0.092 30 20 DBED C[C@@H]1[C@@H](NC(=O)[C@@H]2COCCO2)CCN1c1ccnc(C#N)n1 1050064523 COMAXPLSBWBXJC-WOPDTQHZSA-N 317.349 -0.153 30 20 DBED C[C@@H]1[C@@H](NC(=O)Cc2nc[nH]n2)CCN1c1ccnc(C#N)n1 1050597594 OYROUOZNNHUXKK-ZJUUUORDSA-N 312.337 -0.208 30 20 DBED CN(C)c1cnc(C(=O)NC[C@@H]2COCCN2CC#N)cn1 1050916882 GATQEGMBFRCJCV-LLVKDONJSA-N 304.354 -0.503 30 20 DBED N#CCN1CCOC[C@H]1CNC(=O)c1cc2c(cn1)OCCO2 1050957550 NCEHSDVSYTYMJY-LLVKDONJSA-N 318.333 -0.193 30 20 DBED C#CCN1CCN([C@@H]2CCN(C(=O)CN3CCCC3=O)C2)CC1 1051976855 BEJOCKALMCEBKB-OAHLLOKOSA-N 318.421 -0.540 30 20 DBED CC#CCN1CC2(CC[C@H](CNC(=O)[C@H]3COC(=O)N3)O2)C1 1053596446 UXEXWYRXBXEJRT-VXGBXAGGSA-N 307.350 -0.532 30 20 DBED C=C1CC(C)(C(=O)NCCN2CCC(NC(=O)C(N)=O)CC2)C1 1055639604 QOFFUOUBUSKPSK-UHFFFAOYSA-N 322.409 -0.475 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@](CO)(NC(=O)c2ncc[nH]2)C1 1055928483 AIHBRKJFEZZQRE-QMTHXVAHSA-N 305.338 -0.347 30 20 DBED Cn1nccc1C(=O)NC1[C@H]2CN(c3nccnc3C#N)C[C@H]12 1056138105 GUDUPIBXWKETLS-UWVGGRQHSA-N 309.333 -0.054 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCC[C@H]2[C@@H]1CCN2C(=O)CC(N)=O 1056378257 ADJHOGNDCAGRNA-MKBNYLNASA-N 323.393 -0.219 30 20 DBED C=CCCOCC(=O)NCCN(CCO)C(=O)c1cn[nH]c1 1057076439 GMUQCFXTVGYEJD-UHFFFAOYSA-N 310.354 -0.447 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)[C@@H]1CO[C@H](C)C1 1057198088 ODOMRPNEBINPDU-OLZOCXBDSA-N 314.382 -0.449 30 20 DBED N#Cc1c[nH]c(C(=O)N(CCO)CCNC(=O)c2cn[nH]c2)c1 1057291435 DXGGOSKBTWXJGS-UHFFFAOYSA-N 316.321 -0.526 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)c1cn(C)cn1 1057439482 OXISAAHPPZCGPL-UHFFFAOYSA-N 306.366 -0.226 30 20 DBED C=C[C@@](C)(CC)C(=O)NCCN(CCO)C(=O)c1cn(C)nn1 1057494001 JYNTUIBVBLMBKN-HNNXBMFYSA-N 323.397 -0.032 30 20 DBED C[C@@H](C(=O)N[C@H]1CCN(c2cncc(C#N)n2)C1)n1cncn1 1058319247 PYYLIULRZDPXCN-QWRGUYRKSA-N 312.337 -0.104 30 20 DBED Cc1cc(CC(=O)NCCN(CCO)C(=O)[C@H](C)C#N)n[nH]1 1058653338 SPERELALVZVQQN-SNVBAGLBSA-N 307.354 -0.643 30 20 DBED COCCO[C@@H](C)C(=O)NCCN(CCO)C(=O)[C@H](C)C#N 1058656938 NGOYZQIXYBMJHF-NEPJUHHUSA-N 315.370 -0.865 30 20 DBED CC(=O)N1CCC[C@@H]1C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N 1058660505 BJYPREZGSVDWCM-WCQYABFASA-N 324.381 -0.906 30 20 DBED N#Cc1nc(=N[C@H]2C[C@H](NC(=O)[C@@H]3CCNC(=O)C3)C2)cc[nH]1 1059184545 FVKDYBIBTBMRAS-GMTAPVOTSA-N 314.349 -0.645 30 20 DBED C#CCCCC(=O)N1CCOC[C@H]1CNC(=O)Cn1nccn1 1061616480 KUKARCVVWAHTDQ-CYBMUJFWSA-N 319.365 -0.575 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)CNC(=O)C1CC1 1061845547 IYZLGUCROQWUAR-CMPLNLGQSA-N 322.365 -0.984 30 20 DBED Cc1c[nH]c(C(=O)N2CCOC[C@H]2CNC(=O)[C@H](C)C#N)n1 1061852638 KXSYZKBOHBQDEQ-MWLCHTKSSA-N 305.338 -0.165 30 20 DBED N#Cc1cnc(N2C[C@@H]3C[C@H]2CN3C(=O)CCc2nc[nH]n2)cn1 1062472050 YUQNGFKDTLEZLT-RYUDHWBXSA-N 324.348 -0.111 30 20 DBED CN(C(=O)[C@H]1CCC(=O)N1)[C@@H]1CCN(c2ccnc(C#N)n2)C1 1062900085 SIXRJKIQJHRSDY-GHMZBOCLSA-N 314.349 -0.336 30 20 DBED C=C[C@](C)(O)CC(=O)NC1(CNC(=O)c2cnn(C)n2)CCC1 1063638630 GVLXENWUWCRWHB-AWEZNQCLSA-N 321.381 -0.089 30 20 DBED N#Cc1ccc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)C2=COCCO2)nn1 1064212689 UAORYEVGLYIGAS-OLUVUFQESA-N 313.317 -0.070 30 20 DBED C#CCCCC(=O)N1CCO[C@@H](CNC(=O)[C@@H]2CCC(=O)N2)C1 1065095179 FHTGHTWDEJHPDG-STQMWFEESA-N 321.377 -0.588 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CN(C(=O)C(C)(C)C(N)=O)CCO1 1065262572 KYKUURWALRMSNU-ZJUUUORDSA-N 310.354 -0.999 30 20 DBED N#Cc1cnccc1N1C[C@@H](O)[C@H](CNC(=O)c2ccncn2)C1 1067676432 PQAFJQQEIBFEDJ-IUODEOHRSA-N 324.344 -0.030 30 20 DBED N#Cc1ccc(N2C[C@H](CNC(=O)c3ccncn3)[C@@H](O)C2)nc1 1067677106 YSNMNRXSJQHAFJ-JSGCOSHPSA-N 324.344 -0.030 30 20 DBED Cc1cc(C#N)nc(N2CC[C@H](C)[C@@H](NC(=O)C(N)=O)C2)n1 1067988669 FMYCZELMYZCVJH-KWQFWETISA-N 302.338 -0.527 30 20 DBED C#CCC1(C(=O)N2CC3(C[C@@H](NC(=O)C(N)=O)CO3)C2)CCC1 1068992067 FJVFVAFVQREWNR-LLVKDONJSA-N 319.361 -0.849 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1COC2(C1)CN(C(=O)c1cnco1)C2 1069002891 IPARUMYYLVCFAX-VHSXEESVSA-N 304.306 -0.066 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)Cc2cncnc2)C1 1069918583 YKTDYJVZZPLQIF-KGLIPLIRSA-N 313.365 -0.162 30 20 DBED Cn1ccc(CC(=O)N[C@@H]2CN(CC#N)C[C@@H]2n2ccnn2)n1 1069924734 CGIOZJVFLHTCCY-OLZOCXBDSA-N 314.353 -0.881 30 20 DBED CC#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2cnon2)C1 1070058580 KRNWQSZBOTYABK-NEPJUHHUSA-N 301.310 -0.660 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)[C@H]2C[C@H]2C(N)=O)CCOCC1 1070232047 BFFXITOXFZAVAF-AXFHLTTASA-N 322.365 -0.951 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CCCN(C(=O)CCCC(N)=O)C1 1070935817 BHBNUIFDQCFXGE-CHWSQXEVSA-N 323.393 -0.213 30 20 DBED N#CCN1CCNC(=O)CCN(C(=O)CC2(O)CCC2)CC1 1070962129 JKSCNAOBUFFGPK-UHFFFAOYSA-N 308.382 -0.534 30 20 DBED C=CCOCC(=O)N1C[C@@H](NC(=O)Cn2cncn2)[C@H](C)C1 1071812270 ROBMRUQEQMPKQX-VXGBXAGGSA-N 307.354 -0.556 30 20 DBED CC#CCCCC(=O)N1C[C@H](C)[C@H](NC(=O)CNC(N)=O)C1 1072553939 BDCZUFGBCROVHL-NWDGAFQWSA-N 308.382 -0.189 30 20 DBED COc1cc(C(=O)NC[C@H]2CN(CC#N)CCCO2)ncn1 1073605188 DFPRDDSKOMHRQX-NSHDSACASA-N 305.338 -0.171 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(C(=O)CNC(N)=O)C[C@H]1C 1073817125 JZRXPWAMNHQRGB-GHMZBOCLSA-N 312.370 -0.790 30 20 DBED Cn1cc(OCC(=O)N2CC[C@@H]3OCCN(CC#N)[C@@H]3C2)cn1 1074321077 DHSBUZMNRFHQSQ-KGLIPLIRSA-N 319.365 -0.376 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H](C)CCNC(=O)CNC(N)=O 1075548168 QAPUEEHJKGEHAF-UWVGGRQHSA-N 300.359 -0.743 30 20 DBED CNC(=O)CC(=O)N[C@@H](C)CCNC(=O)CSCC#N 1075675824 OMYAJMHSOJWHKS-VIFPVBQESA-N 300.384 -0.610 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CN(CC(=O)NC)C[C@H]21 1076262652 ONEBRBCFQSZWJR-DGAVXFQQSA-N 307.394 -0.144 30 20 DBED C#CCO[C@H](C)C(=O)NCC[C@H](C)NC(=O)Cc1n[nH]c(C)n1 1076507285 AXEHUOXUDKHPEK-WDEREUQCSA-N 321.381 -0.295 30 20 DBED C=CCCCC(=O)N[C@@H](C)CCNC(=O)C[C@@H]1NC(=O)NC1=O 1077122023 XCYDQUIQBVTDKN-QWRGUYRKSA-N 324.381 -0.048 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2cn(C)nc2[C@@H]2CCOC2)C1 1077456918 CYALZUCCPOXZCQ-MRVWCRGKSA-N 318.377 -0.668 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC(=O)N(CCC)C2)C1 1077756787 JLHVXFVYNMTCEC-BFHYXJOUSA-N 307.394 -0.571 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)C(=O)N2CC[C@H](C)C2)C1 1077970626 XKFJMFSZPUSSGG-BFHYXJOUSA-N 309.410 -0.018 30 20 DBED Cc1ccn2ncc(C(=O)N[C@@H]3CN(CC#N)C[C@H]3O)c2n1 1078021570 FNGCGHRDWUBDPP-VXGBXAGGSA-N 300.322 -0.664 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1NC(=O)CN1CCCCS1(=O)=O 1080139673 QMOWUCVCXMJPRB-VXGBXAGGSA-N 314.411 -0.628 30 20 DBED CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)CCc2cn(C)nn2)C1 1080419940 KJHNHSLNZYCSFL-NSHDSACASA-N 318.381 -0.033 30 20 DBED CC#CCN1C[C@@H](NC(=O)[C@H]2COCCN2CC)[C@H](OC)C1 1081873468 VROVMBLYXBWITE-RBSFLKMASA-N 309.410 -0.454 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1nnn(C)c1C 1083033074 CEYMIUWOIQGYRB-QWHCGFSZSA-N 303.366 -0.328 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CCN(C(C)=O)C1 1083260778 PZTKPISLNMDZRJ-HRCADAONSA-N 319.405 -0.210 30 20 DBED C=C(C)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1ccc(=O)n(C)n1 1083267098 IZRPLHCETCQTEB-UONOGXRCSA-N 318.377 -0.118 30 20 DBED CCN1CCO[C@H](C(=O)N2CCO[C@@H]3CN(CC#N)C[C@@H]32)C1 1083280838 JJPCVVOVFHTIMN-MJBXVCDLSA-N 308.382 -0.858 30 20 DBED Cc1nc2ccnn2c(C)c1C(=O)N[C@@H]1CN(CC#N)C[C@@H]1O 1083586514 YMEJNTANYGJXEF-NEPJUHHUSA-N 314.349 -0.355 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)c2c(C)nn3cccnc23)C1 1084068139 NMGDOJBDAXOHAH-OLZOCXBDSA-N 313.361 -0.164 30 20 DBED CC(=O)N1CCO[C@@H](C(=O)N2C[C@H]3CCN(CC#N)C[C@H]32)C1 1084806560 USMGFZXRXAOOLM-MGPQQGTHSA-N 306.366 -0.710 30 20 DBED Cn1cc([C@@H]2CN(C(=O)[C@]3(F)CCOC3)C[C@H]2NCC#N)cn1 1086993904 YXHCTEBXKPXJIL-GUTXKFCHSA-N 321.356 -0.044 30 20 DBED C=CCN1CC[C@H](NC(=O)CN2C(=O)CC(C)(C)C2=O)[C@H](O)C1 1090269935 VBMNLQQQRAUVRJ-NWDGAFQWSA-N 323.393 -0.491 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2cc(OC)ncn2)[C@@H](O)C1 1090274971 XMAQIAPSGSNABX-AAEUAGOBSA-N 304.350 -0.327 30 20 DBED CCCCOCC(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1O 1090388255 WFRXXZKYASEEND-CHWSQXEVSA-N 319.365 -0.169 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(c2ncnc3[nH]cnc23)C[C@H]1O 1090392613 XJASRRAHQPHLTI-NXEZZACHSA-N 318.337 -0.779 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2cccc(NC(N)=O)c2)[C@@H](O)C1 1090797932 IPSFOIPKPHWXKZ-OLZOCXBDSA-N 317.349 -0.134 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)c3nccnc3N)c3nccn32)C1 1092357401 SWFWGSROVMTQDF-NSHDSACASA-N 323.360 -0.226 30 20 DBED Cn1cc(C(=O)N[C@H]2CC3(CN(CC#N)C3)n3ccnc32)nn1 1092368600 NAEXSDMNJUOEMD-JTQLQIEISA-N 312.337 -0.579 30 20 DBED Cc1cc(=NCCNC(=O)[C@@H]2CCC(=O)N2C)c(C#N)c[nH]1 1094043083 WBUCHCPZMKQMSP-ZDUSSCGKSA-N 301.350 -0.168 30 20 DBED CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NCCNc1cncc(C#N)n1 1094142535 LEZIDALJUOMOCU-WDEREUQCSA-N 302.338 -0.399 30 20 DBED CCN1C[C@H](C(=O)NCCNc2ccc(C#N)nn2)CC1=O 1094190543 MLOYFNDKYSFVRK-SNVBAGLBSA-N 302.338 -0.255 30 20 DBED N#Cc1nc(=NCCNC(=O)c2ccnc3[nH]nnc23)cc[nH]1 1094265835 WHCYQYSESPWBKJ-UHFFFAOYSA-N 309.293 -0.722 30 20 DBED C#CCN1CC(n2cc(CNC(=O)c3cnsn3)nn2)C1 1094277399 HDBQSIKJJICKQF-UHFFFAOYSA-N 303.351 -0.451 30 20 DBED Cc1c[nH]nc1C(=O)NCc1cn(C2CN(CC#N)C2)nn1 1094288050 CQTFBMGFMLTISK-UHFFFAOYSA-N 300.326 -0.380 30 20 DBED C=CCN1CCN(C(=O)C#CC2CC2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094632515 LCXYBPUWFPEXSR-UONOGXRCSA-N 308.403 -0.104 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)Cn3cc(C)cn3)CC2=O)C1 1094706633 DWPFGDLGHPMUTP-CYBMUJFWSA-N 315.377 -0.774 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)[C@@H]3CCCCO3)CC2=O)C1 1094727901 RAHWMJRCQFDRCQ-JSGCOSHPSA-N 305.378 -0.410 30 20 DBED N#Cc1nc(=NCCCNC(=O)CN2CCCCC2=O)cc[nH]1 1094881283 CUHNBBPHDSUNJH-UHFFFAOYSA-N 316.365 -0.299 30 20 DBED CCc1nc(C#N)cc(N[C@@H]2CCN(C(=O)CNC(N)=O)C2)n1 1095014919 GNJRRNVNAUXBEJ-SECBINFHSA-N 317.353 -0.408 30 20 DBED CCNC(=O)CCC(=O)N[C@@H]1CCN(c2ccc(C#N)nn2)C1 1096332097 BOYOGQZZRISQTB-GFCCVEGCSA-N 316.365 -0.041 30 20 DBED Cc1cc(=N[C@H](C)CNC(=O)CS(C)(=O)=O)c(C#N)c[nH]1 1097700395 ZEKVXSULQUMYRL-SNVBAGLBSA-N 310.379 -0.355 30 20 DBED C[C@@]1(C(=O)N2CCC(N(CC#N)CCO)CC2)CCC(=O)NC1 1098459053 TXQTUJOOCFGVJK-MRXNPFEDSA-N 322.409 -0.288 30 20 DBED C=CCCC(=O)N[C@@H]1CCN(CCN2C(=O)CNC2=O)C[C@H]1O 1099723404 HFOZFNOSTCMQQS-VXGBXAGGSA-N 324.381 -0.944 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(Cc2cnn(CC)n2)C[C@@H]1O 1099740294 ASAFHXQOTADGRJ-KBPBESRZSA-N 323.397 -0.448 30 20 DBED COCC#CCN1CC[C@H](NC(=O)Cc2ccon2)[C@H](O)C1 1099745160 ZVTSPZAZZCEKAK-UONOGXRCSA-N 307.350 -0.582 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)COc2cnn(C)c2)[C@H](O)C1 1099969882 NUIOBQSBFWVISA-UONOGXRCSA-N 308.382 -0.074 30 20 DBED CN(CCNC(=O)[C@H]1COCCN1C)c1ccc(C#N)nn1 1100028314 OIDWBJSODOAKMU-GFCCVEGCSA-N 304.354 -0.769 30 20 DBED C#CCN1CC[C@@H](NC(=O)COCc2nc(CC)no2)[C@@H](O)C1 1100072540 XDXCKDOUTHRYSE-NEPJUHHUSA-N 322.365 -0.667 30 20 DBED Cc1noc(CCCC(=O)N[C@@H]2CCN(CC#N)C[C@@H]2O)n1 1100113083 ZJVWZGAGGRMZTH-NEPJUHHUSA-N 307.354 -0.224 30 20 DBED N#CCNC(=O)CNC1CC(CNC(=O)[C@@H]2CCCOCC2)C1 1100281416 XLTZMNJZWXDGTR-ROKHWSDSSA-N 322.409 -0.073 30 20 DBED COCC(=O)NCCC(=O)NCCN(C)c1ccc(C#N)cn1 1100376100 RCQGDCVNTKONMR-UHFFFAOYSA-N 319.365 -0.342 30 20 DBED C#CCNC(=O)[C@H](C)NC1CC(CNC(=O)CCN(C)C)C1 1100638491 NMIGPOZDNZCJNG-HSBZDZAISA-N 308.426 -0.440 30 20 DBED COCCCC(=O)N1C[C@H]2CN(CC(=O)NCC#N)C[C@@]2(C)C1 1101145639 WIMKLOXNWFGXBF-CJNGLKHVSA-N 322.409 -0.167 30 20 DBED C#CCCN1C[C@@H]2CN(C(=O)[C@@H](C)NC(=O)COC)C[C@]2(C)C1 1101247770 RWDKRXQDADYERZ-CPUCHLNUSA-N 321.421 -0.059 30 20 DBED COCC#CCN1C[C@@H](C)[C@H](CNC(=O)[C@H]2CN(C)C(=O)N2)C1 1102226097 CNZNMRYOQXVQKS-MGPQQGTHSA-N 322.409 -0.656 30 20 DBED C=C(C)CN1C[C@@H](C)[C@H](CNC(=O)C[C@H](NC(C)=O)C(N)=O)C1 1102437502 HRBRINWFXLHJCZ-BNOWGMLFSA-N 324.425 -0.373 30 20 DBED CNC(=O)NCC(=O)N1C[C@@H]2C[C@H]1CN2c1ncccc1C#N 1102574138 JFWPLPXNWKNDAJ-RYUDHWBXSA-N 314.349 -0.328 30 20 DBED C#CCN1C[C@@H](C)[C@H](CCNC(=O)Cn2ccc(O)nc2=O)C1 1103199577 ZLZIIPSCDMUTAP-CHWSQXEVSA-N 318.377 -0.344 30 20 DBED N#Cc1nc(=NC[C@H]2CCCN2C(=O)CCCC(N)=O)cc[nH]1 1103807778 WISYENSWQBSGCK-LLVKDONJSA-N 316.365 -0.171 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H]1CN(c2cc(F)ncn2)CCO1 1104330354 NJSWYHZCBUVWNY-RYUDHWBXSA-N 322.340 -0.025 30 20 DBED C[C@@H]1C[C@H](C(=O)N2CC(n3cc(CNCC#N)nn3)C2)CO1 1105270583 CPKSRJYLZZKOLM-MNOVXSKESA-N 304.354 -0.300 30 20 DBED CN(CCN(C)c1ccnc(C#N)n1)C(=O)c1cnn(C)n1 1105432375 LQEOTPJTAMPTEI-UHFFFAOYSA-N 300.326 -0.315 30 20 DBED CC[C@@H](OC)C(=O)NC[C@@H](O)CNc1nc(C)cc(C#N)n1 1105779967 MNEWCUIPKXQFDQ-VXGBXAGGSA-N 307.354 -0.029 30 20 DBED Cc1[nH]nc(C(=O)NC[C@H](O)CNc2ccc(C#N)nn2)c1O 1105819896 NJGQUYNCJGGUMG-SECBINFHSA-N 317.309 -0.712 30 20 DBED Cc1nonc1C(=O)NC[C@@H](O)CNc1ncccc1C#N 1105884807 RBPJMQKXWLTMCL-JTQLQIEISA-N 302.294 -0.153 30 20 DBED Cc1nonc1C(=O)NC[C@H](O)CNc1ncccc1C#N 1105884808 RBPJMQKXWLTMCL-SNVBAGLBSA-N 302.294 -0.153 30 20 DBED Cc1noc(C(=O)NC[C@H](O)CN=c2cc[nH]c(C#N)n2)c1C 1106006649 BGJUXVUNIGYGHZ-SNVBAGLBSA-N 316.321 -0.422 30 20 DBED C[C@@H](C#N)C(=O)NC[C@]1(C)CN(CC(=O)N(C)C2CC2)CCO1 1107818527 BJZOVXPABPKGLG-BLLLJJGKSA-N 322.409 -0.026 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)CCc2cnn(C)n2)C1 1108220130 MSYPMCAUQGRKSK-OAHLLOKOSA-N 305.382 -0.412 30 20 DBED C#CCCN1CCO[C@@](C)(CNC(=O)c2cn(C)c(=O)n2C)C1 1108426205 KYHRLYFKFBIMQU-INIZCTEOSA-N 320.393 -0.432 30 20 DBED CC#CCN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN1CCOCC1=O)C2 1108705109 XYDTYQINFRFXPR-KKUMJFAQSA-N 319.405 -0.162 30 20 DBED Cc1nn(C)cc1CC(=O)N[C@@H](C)CN=c1cc[nH]c(C#N)n1 1108767050 ZHQXVMVMFHNFLL-JTQLQIEISA-N 313.365 -0.029 30 20 DBED N#Cc1nc(=NC[C@H](NC(=O)CCCC(N)=O)C2CC2)cc[nH]1 1109866181 TZFRCPNWVDJXOG-NSHDSACASA-N 316.365 -0.268 30 20 DBED Cc1ncoc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1110421306 APQOKPPBROLZHX-UTUOFQBUSA-N 317.349 -0.042 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H]1CCNC(=O)C1 1110441370 OKDLPVKQSGGKBK-YJNKXOJESA-N 319.405 -0.116 30 20 DBED C[C@H]1C[C@H](N=c2cc[nH]c(C#N)n2)CCN1C(=O)CNC(N)=O 1110508164 WSVKRGREGMSSCA-VHSXEESVSA-N 317.353 -0.770 30 20 DBED N#Cc1cccnc1N1C[C@H]2CN(C(=O)CNC(N)=O)C[C@H]2C1 1111286796 WZVLJMPRENRNOU-TXEJJXNPSA-N 314.349 -0.484 30 20 DBED N#Cc1cncc(NCCN(CCO)C(=O)c2ccon2)n1 1111437937 CFPLVZPYGKNNSN-UHFFFAOYSA-N 302.294 -0.117 30 20 DBED N#Cc1cnc(N2CCOC[C@@H]2CNC(=O)C(N)=O)c(Cl)c1 1111716272 XZRDJBXSBPFOJG-VIFPVBQESA-N 323.740 -0.587 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)c2cc(CC)[nH]n2)CC1 1112620572 GOMYTSDKTARWCS-LBPRGKRZSA-N 317.393 -0.132 30 20 DBED C#CCOCCC(=O)NC[C@H]1CN(c2nc(C)ns2)C[C@@H]1O 1112738525 PYDNSALENTXWEH-RYUDHWBXSA-N 324.406 -0.200 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)c2ccnn2CC)CC1 1112787638 ACVVVMOXKHATLB-CYBMUJFWSA-N 317.393 -0.201 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@H](C)OCCC=C)[C@H]2C1 1113999612 QMTRDEHYPNTETG-TTZDDIAXSA-N 319.405 -0.237 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)CO[C@H]3CCOC3)[C@H]2C1 1114273055 GQJISULJOMFWBW-BCUIYNNISA-N 323.393 -0.860 30 20 DBED N#CCNC(=O)CN1C[C@@H]2C(NC(=O)CCc3cnc[nH]3)[C@H]2C1 1114384401 JZPQLUOVCRNEEI-RYUDHWBXSA-N 316.365 -0.972 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)CN3CCCCC3=O)[C@@H]2C1 1114515596 HMXLBPISCBTVJQ-ZIAGYGMSSA-N 319.405 -0.305 30 20 DBED C#CCNC(=O)C1CCN(c2nnnn2[C@@H]2CCOC2)CC1 1120155693 GKTWOKQHHWFCND-GFCCVEGCSA-N 304.354 -0.400 30 20 DBED C[C@@H](CS(C)(=O)=O)N(C)C(=O)C(=O)N1CCC[C@@H](C#N)C1 1120336950 UQVNFKDKXJDWFN-QWRGUYRKSA-N 315.395 -0.360 30 20 DBED C[C@@H](C(=O)NC[C@H](CO)Nc1cnc(C#N)cn1)n1cccn1 1121213164 NHJQPIOQWCZWGF-CMPLNLGQSA-N 315.337 -0.305 30 20 DBED C[C@H](C(=O)NC[C@H](CO)Nc1ccc(C#N)nn1)n1cccn1 1121214283 YCBJOPPBWVNJKX-ZYHUDNBSSA-N 315.337 -0.305 30 20 DBED CC(=O)N1CC(C(=O)NC[C@@H](CO)Nc2ncccc2C#N)C1 1121366711 WYCBEMHYTZLXKV-ZDUSSCGKSA-N 317.349 -0.679 30 20 DBED CN(C)C1(C(=O)NC[C@@H](CO)Nc2nccnc2C#N)CCC1 1122190487 QMMOKOVEQAPOJA-NSHDSACASA-N 318.381 -0.278 30 20 DBED CO[C@H](C(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1)C(C)C 1122445781 SVKGDKBURCIRJG-GWCFXTLKSA-N 307.354 -0.670 30 20 DBED Cc1ccc(C#N)c(N[C@H](CO)CNC(=O)CC(=O)N(C)C)n1 1122637722 VOQOIBQPJMDKPO-LBPRGKRZSA-N 319.365 -0.371 30 20 DBED C=CCCO[C@H](C)C(=O)NCCNCC(=O)NC(=O)NCC 1124488553 QXHNSCFMLDFYRR-LLVKDONJSA-N 314.386 -0.481 30 20 DBED COC[C@@H](C)CC(=O)N(C)C[C@@H](O)CN=c1cc[nH]c(C#N)n1 1124513084 LHKTTXLCWWKUFR-RYUDHWBXSA-N 321.381 -0.326 30 20 DBED C[C@@H](C#N)C(=O)NCCNCc1cn(C[C@@H]2CCOC2)nn1 1124903514 QXZYSGQBTCNFSZ-RYUDHWBXSA-N 306.370 -0.320 30 20 DBED CN(C)CCC(=O)N(C)C[C@@H](O)CN(C)c1cncc(C#N)n1 1125253472 DTONKZWKFMTJAX-ZDUSSCGKSA-N 320.397 -0.445 30 20 DBED C#CCOCCC(=O)NCCNCc1nnn(C(C)(C)C)n1 1127031613 JQICVMVHWJXPOI-UHFFFAOYSA-N 308.386 -0.326 30 20 DBED C=C(C)[C@@H](CC(=O)NCCNCC(=O)NC(=O)NC)OCC 1128528414 MJLBMTVSVJMJSM-LLVKDONJSA-N 314.386 -0.481 30 20 DBED CCN(CC)C[C@@H](F)C(=O)NCCNCC(=O)NCC#N 1128533045 FIOOGZZTULANQR-LLVKDONJSA-N 301.366 -0.988 30 20 DBED CN(C)CCOCC(=O)NCc1cnn2c1CN(CC#N)CC2 1128559708 BTODUGFEDXUCJO-UHFFFAOYSA-N 320.397 -0.583 30 20 DBED C#CCN1CCn2ncc(CNC(=O)CS(=O)(=O)CC)c2C1 1128593145 BCVSFODTWWMRBX-UHFFFAOYSA-N 324.406 -0.617 30 20 DBED C[C@@H](C#N)C(=O)NCc1nc([C@H]2COCCN2CC#N)n[nH]1 1130836228 YXVYGRIHNJVXLH-VHSXEESVSA-N 303.326 -0.523 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)c1ncc(OC)cn1 1131129528 AZXAZDMGEMTWCQ-JTQLQIEISA-N 307.354 -0.505 30 20 DBED C#CCCN1C[C@H]2C[C@@H]3CN(C(=O)CNC(C)=O)C[C@@]3(C1)O2 1131175115 VZFWIHHXYXPXDL-IIAWOOMASA-N 305.378 -0.553 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)C1(COC)CC1 1131311206 QTVAEFPBVQFGHC-UHFFFAOYSA-N 310.398 -0.119 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2cnn(C)c2)CC[C@H]1C 1131772928 VRWCFVDSDSLXIX-OCCSQVGLSA-N 317.393 -0.248 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)c1cc[n+]([O-])cc1 1133637167 UGLMIQFBZALQHB-QWHCGFSZSA-N 318.377 -0.444 30 20 DBED C=CCNC(=O)CNCCNC(=O)Cc1ccnc(OC)c1 1133880160 PDSSMXQCRIDGDH-UHFFFAOYSA-N 306.366 -0.359 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)c1cocn1)C2 1147188343 XMFNMYJCWTYICT-UHFFFAOYSA-N 302.334 -0.428 30 20 DBED N#CCN1CCCO[C@@H](CNC(=O)COC2CCOCC2)C1 1150385580 CSZQMTHCDIUCAJ-AWEZNQCLSA-N 311.382 -0.087 30 20 DBED CC#CCN(CC)[C@H](C)CNC(=O)CC[C@H]1NC(=O)NC1=O 1156797546 JSNVGSGSLKBYKZ-VXGBXAGGSA-N 308.382 -0.176 30 20 DBED C#CCNC(=O)CC(=O)NCCCNCCO[C@H]1CC1(F)F 1156847971 MXAZTIOSCUNHBE-NSHDSACASA-N 317.336 -0.354 30 20 DBED COCC1(CNC(=O)C2CN(C(C)=O)C2)CCN(CC#N)CC1 1162236261 OYIOOHRGQIJDFF-UHFFFAOYSA-N 322.409 -0.167 30 20 DBED CO[C@H]1CCC[C@@H](C(=O)NCCCNCC(=O)NCC#N)C1 1165386259 CAGCKCCSQFEGJW-OLZOCXBDSA-N 310.398 -0.073 30 20 DBED C#CCCNCC1(CCNC(=O)C[C@@H]2NC(=O)NC2=O)CC1 1165560874 JKJJKTQRUBMETI-NSHDSACASA-N 306.366 -0.516 30 20 DBED C=CCCN1CCO[C@@H]2CCN(C(=O)CNC(=O)NC)C[C@@H]21 1177024526 ILOPBULETABVHH-QWHCGFSZSA-N 310.398 -0.207 30 20 DBED Cc1ncc(C(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)s1 1181443879 LPRMWWOVEAMFIV-SNVBAGLBSA-N 307.379 -0.105 30 20 DBED C#CCNC[C@]1(C)CN(C(=O)CS(=O)(=O)N(C)C)C[C@H]1C 1183298771 ZTFBJPZEQMHVSS-TZMCWYRMSA-N 315.439 -0.415 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)CCc2cncnc2)C1 1184248756 WQHXXTRJUZIHCX-CQSZACIVSA-N 317.393 -0.098 30 20 DBED CC(C)(C(N)=O)C(=O)N1C[C@@H](CNCC#N)C2(CCOCC2)C1 1186410148 OMKNGYHLPQIJEU-GFCCVEGCSA-N 322.409 -0.134 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H]2CCN(C(=O)c3cnn[nH]3)[C@@H]2C1 1188427919 GGWLRFHTLUCXCZ-GMXVVIOVSA-N 316.365 -0.911 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](N(C)Cc2nccn2C)C1 1189760565 MUZOJBCWYPSHEK-ZDUSSCGKSA-N 317.393 -0.408 30 20 DBED C#CCC1(C(=O)N2CC[C@@H](N(C)CC(=O)NC(N)=O)C2)CCC1 1190603978 MFLASHOSHULJCG-GFCCVEGCSA-N 320.393 -0.092 30 20 DBED CCn1cc(CN2C[C@@H](O)[C@H](NC(=O)C#CC3CC3)C2)nn1 1192826622 HYBINQSWSNZDIF-ZIAGYGMSSA-N 303.366 -0.627 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)CCc2ccnc(C)n2)C1 1194969234 PUZGBYQMYGPZJU-HUUCEWRRSA-N 302.378 -0.098 30 20 DBED CCC[C@H](CC)C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1O 1197267359 STQJWLAUSXALQX-YNEHKIRRSA-N 310.398 -0.386 30 20 DBED CC#CCN1CCCN(C(=O)[C@H](C)NS(C)(=O)=O)CC1 1197278642 XSWQFYHITOLHOP-LBPRGKRZSA-N 301.412 -0.518 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)C[C@@H](C)N2CCCC2=O)C1 1197769032 IBZZKGDCQNQMHY-MGPQQGTHSA-N 307.394 -0.428 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)CS(=O)(=O)C(C)(C)C)C1 1197799321 KZVWYSDQCVNVSU-VXGBXAGGSA-N 318.439 -0.063 30 20 DBED C#CCNC(=O)[C@H](C)NC1CCN(C(=O)[C@@H]2COCCO2)CC1 1199401073 RCOFYMZDIRDNBK-JSGCOSHPSA-N 323.393 -0.880 30 20 DBED COCC#CCNC1CCN(C(=O)[C@H]2COCCN2C)CC1 1200118872 VXGSKLXUCKSSMM-OAHLLOKOSA-N 309.410 -0.453 30 20 DBED C#CCNC[C@H]1CN(C(=O)C(=O)NCC(F)F)CCCO1 1200874308 ROKLEIRDHSHWKR-JTQLQIEISA-N 303.309 -0.792 30 20 DBED COCC#CCNCC1CCN(C(=O)Cn2cnnc2O)CC1 1205039694 ZIGFHGOYYDLKCS-UHFFFAOYSA-N 321.381 -0.538 30 20 DBED C[C@H]1C[C@H](C(=O)N2CCC(CNCC(=O)NCC#N)CC2)CO1 1205552291 FZJMHEXRECKQOR-JSGCOSHPSA-N 322.409 -0.121 30 20 DBED CC#CCNCC1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 1206267295 HHSYBXOQWWZTPO-UONOGXRCSA-N 307.394 -0.129 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)CO[C@@H]2CCOC2)C1 1208022520 ZYMJXTOQQUCILH-ZIAGYGMSSA-N 323.393 -0.878 30 20 DBED COCC#CCN[C@H]1CCCN(C(=O)C(=O)NCC2CC2)C1 1210387095 DEEVIBCOYZICNH-AWEZNQCLSA-N 307.394 -0.257 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1C[C@@H](NC(C)=O)[C@H](OC)C1 1211741087 HUQDACJXRSSNED-MVWJERBFSA-N 312.370 -0.778 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(Cc2ccnn2C)C[C@H]1OC 1212032260 SAOVMCHNHIWHJR-ZIAGYGMSSA-N 308.382 -0.062 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@@H](NC(C)=O)C(C)(C)C 1213992725 GRDPJWIMEFNQRS-JHJVBQTASA-N 310.398 -0.124 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)c2cnn(CC)n2)C[C@H]1C 1214557559 FULLTRONISFVPY-DGCLKSJQSA-N 320.397 -0.350 30 20 DBED C[C@@H]1CN(C(=O)[C@@H]2CC2(F)F)C[C@H]1NCC(=O)NCC#N 1214566492 LQPVDUMQHXPRPI-KXUCPTDWSA-N 300.309 -0.282 30 20 DBED C[C@@H]1CN(C(=O)c2cc(F)c[nH]2)C[C@H]1NCC(=O)NCC#N 1215170991 GVFKUDKJWZJCIF-BXKDBHETSA-N 307.329 -0.156 30 20 DBED C#CCCCC(=O)N1CCO[C@@H]2CN(CC(=O)N3CCC3)C[C@@H]21 1217752754 LBHNKOUTKCUMEY-LSDHHAIUSA-N 319.405 -0.066 30 20 DBED CC#CCCCC(=O)N1CCO[C@@H]2CN(CC(=O)NC)C[C@@H]21 1218504101 SGPOVZHSLDMHIF-UONOGXRCSA-N 307.394 -0.162 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(Cc2nnnn2CCC)C[C@@H]1O 1219539476 NCONCKALTOFJLI-OLZOCXBDSA-N 320.397 -0.452 30 20 DBED COCC#CCN1CCC(NC(=O)[C@H]2CCC(=O)N2C)CC1 1228820221 VJYLMOQZTQRQDF-CQSZACIVSA-N 307.394 -0.162 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)c1cncnc1C 1230856027 SYWGKQVIWBQSCB-CYBMUJFWSA-N 315.377 -0.319 30 20 DBED C=CCOCC(=O)N(C)C[C@@H]1CCN1[C@@H]1CCC(=O)NC1=O 1231241077 QJLFOBQAQVKWKB-NWDGAFQWSA-N 309.366 -0.473 30 20 DBED CN(C[C@@H]1CCN1CC(=O)NCC#N)C(=O)CC1OCCCO1 1233915404 NTWUSMVNTFDZFR-LBPRGKRZSA-N 324.381 -0.688 30 20 DBED C[C@@](O)(CNC(=O)NCCN/C(O)=C1\N=CC=CC1=O)C1CC1 1251798889 UQLJACFPSPKWOI-RDRICISKSA-N 322.365 -0.027 30 20 DBED C#CCOCCNC(=O)C(=O)N1CC[C@@H]2[C@H](CCCN2C)C1 1260309250 IDNRBOAQNRUHBU-ZIAGYGMSSA-N 307.394 -0.305 30 20 DBED CC(C)(C)OC(=O)N[C@H](CO)C(=O)OCC(=O)NCC#N 1261811556 LJLDDZDXIHYPPJ-MRVPVSSYSA-N 301.299 -0.945 30 20 DBED C=C[C@H](COC)NC(=O)N(C)C[C@@H](O)CN1CCOCC1 1320311870 GBYUGAKONLFXTP-CHWSQXEVSA-N 301.387 -0.478 30 20 DBED C[C@@](O)(CNC(=O)C(=O)Nc1cnn(CC#N)c1)c1ccco1 1322804096 JRHUZIDESNXIBX-CQSZACIVSA-N 317.305 -0.038 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)N2CCOC3(CCCC3)C2)CCO1 1324890856 UKWSTIATKWPEBM-LBPRGKRZSA-N 307.350 -0.091 30 20 DBED C#CCNC(=O)C1CCN(C(=O)Cn2ccccc2=O)CC1 1325278377 KLWNYTBWGSOQQC-UHFFFAOYSA-N 301.346 -0.164 30 20 DBED COC[C@H]1C[C@@H](O)CN1C(=O)C(=O)NCC#Cc1ccccc1 1326947271 DIRNGRQSWYAYLM-HUUCEWRRSA-N 316.357 -0.238 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N1C[C@@H](COC)O[C@H](C)C1 1328441418 XSDYOHBAWVBINB-KGLIPLIRSA-N 306.362 -0.266 30 20 DBED C=CCn1cc(CNC(=O)C(=O)Nc2cc(OC)n[nH]2)nn1 1330066375 HWCGEGOHVMBRPK-UHFFFAOYSA-N 305.298 -0.549 30 20 DBED C=C(C)[C@@H]1OCC[C@H]1Cn1nnnc1N1CCN(C)C(=O)C1 1334255905 QRSVMVUWQHNRBF-AAEUAGOBSA-N 306.370 -0.067 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCOCC[C@H]1C 1335675176 VUCXXSUMCQIIGH-LLVKDONJSA-N 318.395 -0.659 30 20 DBED C=CCn1c([C@H]2CCNC(=O)CC2)nnc1N1CCNC(=O)C1 1339557564 VXVNTYIBXATXFV-LLVKDONJSA-N 318.381 -0.216 30 20 DBED CN1CCCN(CCCNc2[nH]c(=O)n(C)c(=O)c2C#N)CC1 1347956369 IDEYLCJBXBQMQL-UHFFFAOYSA-N 320.397 -0.615 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CN3CCC2CC3)C1=O 1353787447 DMQIEFURFHSIDI-LLVKDONJSA-N 320.349 -0.826 30 20 DBED C[C@H](C#N)C(=O)NCCN1CCN(C(=O)c2cc[nH]n2)CC1 1385571888 OOJDWOOIESQIMI-LLVKDONJSA-N 304.354 -0.557 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CCN(C(=O)c2ccoc2CC(N)=O)C1 1385885765 JGQBJLIADARULG-ZJUUUORDSA-N 318.333 -0.202 30 20 DBED CCCN(CCNC(=O)[C@@H]1CC(=O)NC(=O)N1)C(=O)[C@H](C)C#N 1387421041 LAFUZEWJNRRMIQ-ZJUUUORDSA-N 323.353 -0.901 30 20 DBED CC(C)[C@@H](O)C(=O)NC[C@@H](O)CNC(=O)c1cc(C#N)c[nH]1 1389082357 HWEPGYWELYRCGQ-CMPLNLGQSA-N 308.338 -0.890 30 20 DBED Cc1c(C(=O)N2CC[C@H](N(C)C(=O)[C@@H](C)C#N)C2)nnn1C 1396776100 NCGMVAUGOOQVOI-ONGXEEELSA-N 304.354 -0.044 30 20 DBED C[C@@H](CNC(=O)CN1CCOCC1)NC(=O)c1c[nH]c(C#N)c1 1400165788 UQHNTJYGQSVNNU-NSHDSACASA-N 319.365 -0.547 30 20 DBED C[C@H](C#N)C(=O)N(C)C[C@H]1CCCN1C(=O)Cn1ncnn1 1404053232 OQBHLAIOWBZWDN-GHMZBOCLSA-N 305.342 -0.718 30 20 DBED C[C@@H](C(=O)NC1CN(C(=O)c2cc(C#N)c[nH]2)C1)S(C)(=O)=O 1409074397 LYLBELZLSXKMMA-QMMMGPOBSA-N 324.362 -0.740 30 20 DBED Cn1c(=O)[nH]c(N[C@@H](CO)CN2CCCCC2)c(C#N)c1=O 1412879910 BPLDXFSQDIDOLE-SNVBAGLBSA-N 307.354 -0.796 30 20 DBED CNC(=O)Cc1noc(Cn2nc(C)c(C)c(C#N)c2=O)n1 1412925207 XUVMNSGGROTYSW-UHFFFAOYSA-N 302.294 -0.548 30 20 DBED C[C@@H](C(=O)NC[C@H]1CCCN1CCCO)n1cnc(C#N)n1 1417876713 VZXSBODTGIJDPM-NWDGAFQWSA-N 306.370 -0.326 30 20 DBED N#Cc1ccc(N2CCN(C(=O)[C@@H](CO)NC(N)=O)CC2)cc1 1418669593 ACULZRBOKTYTTO-CYBMUJFWSA-N 317.349 -0.764 30 20 DBED CC(C)(C#N)CS(=O)(=O)N(CC(N)=O)C1CCOCC1 1424567970 RDUYBRGPIZDYFO-UHFFFAOYSA-N 303.384 -0.168 30 20 DBED CNC(=O)NCC(=O)N1CC[C@H](CN(C)C(=O)[C@H](C)C#N)C1 1430075870 GLLBEBLCQFRTIM-GHMZBOCLSA-N 309.370 -0.618 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)c2cccc(=O)n2C)C1 1430178607 JYULEYMDGOWJSR-GMTAPVOTSA-N 302.334 -0.078 30 20 DBED C[C@@H](CN1CCOCC1)C(=O)NC1(CNC(=O)[C@H](C)C#N)CC1 1432299453 XZAUOGDTTRNURN-OLZOCXBDSA-N 322.409 -0.121 30 20 DBED C[C@@H](C#N)C(=O)NCC1CN(C(=O)[C@@H](C)CN2CCOCC2)C1 1432476478 MTSDSZHMGPFRLD-STQMWFEESA-N 322.409 -0.311 30 20 DBED Cc1ccc(CC(=O)NC[C@H](O)CNC(=O)[C@H](C)C#N)cn1 1433294929 ISNAHPOVPCDBEU-MFKMUULPSA-N 304.350 -0.315 30 20 DBED C[C@@H]1COCC[C@H]1CNC(=O)CCn1cc(C#N)c(O)nc1=O 1449077516 QUEIMGVFKUPGKM-MNOVXSKESA-N 320.349 -0.001 30 20 DBED C[C@@H]1C[C@H](C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)CO1 1515131168 OUVRCLWCWBYEDT-OUAUKWLOSA-N 314.363 -0.623 30 20 DBED N#Cc1cnc(N2C[C@H]3[C@H](NC(=O)[C@H]4C[C@H]4C(=O)O)[C@H]3C2)cn1 1571118993 PLTWZTLOLZQOIU-VLLVSFFDSA-N 313.317 -0.380 30 20 DBED C#CCOCCC(=O)N1CC[C@@H]2CN(C(=O)CNC(=O)O)[C@@H]2C1 1573310900 DNCIYTRNQIFOJE-VXGBXAGGSA-N 323.349 -0.647 30 20 DBED C#CC1(O)CCN(C(=O)[C@@H]2CCCN(CC(=O)O)C2=O)CC1 1588386059 NMMPSOCBUIKTSZ-NSHDSACASA-N 308.334 -0.704 30 20 DBED C#C[C@@H](CO)NC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)O)C1 1588388752 ZMSADMKEUPJNHN-GXFFZTMASA-N 301.302 -0.184 30 20 DBED N#Cc1sccc1S(=O)(=O)N[C@@H](CC(=O)O)C(=O)O 1594635420 KWZLFZRJIZYSLG-YFKPBYRVSA-N 304.305 -0.174 30 20 DBED CN(C[C@@H](O)CNc1ncc(C(=O)O)cn1)C(=O)C#CC1CC1 1598435021 CIYQHRCVWLXTRC-LBPRGKRZSA-N 318.333 -0.181 30 20 DBED N#CCCN1CCN(C(=O)COCc2ocnc2C(=O)O)CC1 1601067838 PHAZDEQCJZHVPQ-UHFFFAOYSA-N 322.321 -0.053 30 20 DBED C=C[C@H](O)C(=O)OCC(=O)Nc1ccc(-c2nn[nH]n2)cc1 1602802698 AGSVXAWGJOPENO-JTQLQIEISA-N 303.278 -0.105 30 20 DBED C=CCCC[C@H](NS(=O)(=O)N1CCN(C)CC1)C(=O)O 1602872295 HNDCLQGJVIDPNL-NSHDSACASA-N 305.400 -0.122 30 20 DBED N#CCN1CCC(NC(=O)c2ccnc(-c3nn[nH]n3)c2)CC1 1606349585 DSNFHFRTASVAKJ-UHFFFAOYSA-N 312.337 -0.021 30 20 DBED Cn1c(=O)[nH]c(N[C@H](CC2CCOCC2)C(=O)O)c(C#N)c1=O 1608076057 OKGAMSKZJUBCTP-SNVBAGLBSA-N 322.321 -0.373 30 20 DBED C[C@@H](OC(=O)Cn1cc(C(=O)O)nn1)C(=O)NC1(C#N)CCC1 1609799425 OPFRAZOMAIMUMN-MRVPVSSYSA-N 321.293 -0.530 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)NC[C@H](O)c1cnn(C)c1 1645764571 PUTOHJXSVYGCAQ-KOLCDFICSA-N 301.372 -0.478 30 20 DBED CC(C)C#CC(=O)N1CC[C@H](NC(=O)CCNC(N)=O)[C@H]1C 1736264167 GKMKZVFLYXXDIB-NEPJUHHUSA-N 308.382 -0.190 30 20 DBED COc1nc(C(=O)NCCCN2CCN(CC#N)CC2)co1 1752349468 IQDDZVNOPODXOK-UHFFFAOYSA-N 307.354 -0.056 30 20 DBED CC#CCN1CCN(CCNC(=O)[C@@H]2CN(C)CCO2)CC1 1752362566 GNQPOVGQUYGKMD-HNNXBMFYSA-N 308.426 -0.926 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)[C@H](C)OCC)[C@H]2C1 1752842920 CBHVYLZKZHZGLQ-QSLWVIQJSA-N 307.394 -0.404 30 20 DBED C=CCNC(=O)[C@H](C)NCCN(C)C(=O)[C@]1(C)CCC(=O)N1 1753228900 BCDMNYUWCXNFQG-NHYWBVRUSA-N 310.398 -0.606 30 20 DBED C#CCN(C)CC1CCN(C(=O)CC[C@@H]2NC(=O)NC2=O)CC1 1753367472 LBEIMWVCKJUFBC-ZDUSSCGKSA-N 320.393 -0.222 30 20 DBED COCC#CCN1C[C@@H]2C[C@H]1CN2C(=O)c1n[nH]c(C)c1O 1753419551 NRLNXATVVQZOSC-RYUDHWBXSA-N 304.350 -0.028 30 20 DBED C#CCNC(=O)CNC[C@@H](C)N(C)C(=O)[C@@]1(C)CCNC(=O)C1 1753699256 SVCVBAIXLIRQSN-WBMJQRKESA-N 322.409 -0.911 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@@H](C)NC(=O)Cc1ccn(C)n1 1754225460 XTBKRDOFAJICTQ-NEPJUHHUSA-N 305.382 -0.805 30 20 DBED C=CCNC(=O)NC(=O)CNC[C@H](C)NC(=O)c1cnc(C)[nH]1 1754261240 LTJUWQCQPWJVON-VIFPVBQESA-N 322.369 -0.562 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@H]1CNC(=O)c1ccnn1CC 1754480490 IEPQGHUDIDWZSH-OLZOCXBDSA-N 317.393 -0.155 30 20 DBED C=CCNC(=O)CN1CC[C@@](O)(CNC(=O)[C@H]2CCCO2)C1 1754747044 DUOFTNWBYTXQED-IUODEOHRSA-N 311.382 -0.979 30 20 DBED C=C[C@](C)(CC)C(=O)NC[C@]1(O)CCN(Cc2nnnn2C)C1 1754757347 JACAGJUCOFELGC-HUUCEWRRSA-N 322.413 -0.135 30 20 DBED COCC#CCN1CC2(C1)CN(C(=O)[C@@H]1[C@H]3COC[C@H]31)CCO2 1755050455 PLIXKLMWXWAGLG-FICVDOATSA-N 320.389 -0.558 30 20 DBED C#CCCN(C)C[C@@H]1CCCN1C(=O)CCNS(C)(=O)=O 1755195541 SADHGKBVRCJWMF-ZDUSSCGKSA-N 315.439 -0.128 30 20 DBED C=CCNC(=O)CN1CC([C@H](C)NC(=O)C(=O)NCC2CC2)C1 1755389600 ZSZXUYVQYMXAKR-NSHDSACASA-N 322.409 -0.749 30 20 DBED N#CCSCC(=O)N1C[C@H]2CC[C@H]1CN2[C@@H]1CCNC1=O 1755393230 GYNAFNGLCLQCOS-GRYCIOLGSA-N 308.407 -0.193 30 20 DBED C#CCCN(C)C[C@H](O)CN(C)C(=O)c1cc(OC)ncn1 1755800430 IGIZUHWPTIFBLS-LBPRGKRZSA-N 306.366 -0.127 30 20 DBED CC#CCN(C)C[C@H](O)CN(C)C(=O)[C@@H]1CCS(=O)(=O)C1 1755802574 CVUYITQDNIFURF-OLZOCXBDSA-N 316.423 -0.805 30 20 DBED C=CCC(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)C(N)=O)C2)C1 1756169434 RFJPAFIFLPLRSP-INIZCTEOSA-N 323.393 -0.096 30 20 DBED C#Cc1ccc(C(=O)NC[C@H](CO)NC(=O)CCOCC)cn1 1756538529 PTBVHGWFUSHQHM-CQSZACIVSA-N 319.361 -0.304 30 20 DBED CNC(=O)C1(C(=O)N(C)C[C@@H](O)CNC(=O)C#CC(C)C)CC1 1756668301 GQYGPLVPEVWORW-LBPRGKRZSA-N 323.393 -0.893 30 20 DBED C=CCOCC(=O)N1CC2(CCN(C(=O)[C@H]3COC(=O)N3)C2)C1 1756830271 MKSIYIOMOPTZOR-LLVKDONJSA-N 323.349 -0.642 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(C)nn2C)C1 1756982007 WHPUKRRJVCDXGP-DGCLKSJQSA-N 306.366 -0.004 30 20 DBED C=C(C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2[nH]nnc2C)C1 1757022738 RXXLMEZHSSDEEA-GHMZBOCLSA-N 307.354 -0.229 30 20 DBED N#CCOc1cccc(CNC(=O)[C@@H]2CC(=O)NC(=O)N2)c1 1771790701 LRKSDBMCWHIQIX-NSHDSACASA-N 302.290 -0.197 30 20 DBED N#CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCCOC1)C2 1795086146 SRANPQIISOXRHF-XPCVCDNBSA-N 321.377 -0.084 30 20 DBED C=CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccnn1)C2 1800997923 YYDBRZGYDDAMFQ-JJLQDPRZSA-N 319.365 -0.556 30 20 DBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)OC)C2)C1 1839810930 YHHUJDSNNVNWNH-SWLSCSKDSA-N 310.350 -0.889 30 20 DBED C#CC(=O)N1CCCC12CN(C(=O)CN1CCSCC1)C2 1845957688 CJELCCMAZWNWCO-UHFFFAOYSA-N 307.419 -0.128 30 20 DBED C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)CC(=O)NCC#N 102823014 CGZRSHAUAIKGTA-SNVBAGLBSA-N 310.379 -0.033 30 20 DBED N/C(=N\Cc1ccc(C(=O)N2CCNC(=O)C2)cc1)NC1CC1 161518138 JJRXSPWRSIVACK-UHFFFAOYSA-N 315.377 -0.175 30 20 DBED C#CCN1CCC(C(=O)N(C2CC2)[C@H]2CC(=O)NC2=O)CC1 171035850 NZJKGXGLQRZNMZ-ZDUSSCGKSA-N 303.362 -0.262 30 20 DBED C#CCN1CCN(CN2C[C@](C)(C(=O)OCC)CC2=O)CC1 184862806 WNLHTRKHSCCKJZ-MRXNPFEDSA-N 307.394 -0.004 30 20 DBED C/N=C(/NCc1nncn1C)N1CCN(C[C@H]2CCOC2)CC1 261728678 LIJXUWDZJXZRRG-CYBMUJFWSA-N 321.429 -0.455 30 20 DBED N#Cc1ccnc(N2CCN(C(=O)C[C@H]3COCCN3)CC2)c1 262023990 YXNYVHOVRGDDDS-AWEZNQCLSA-N 315.377 -0.020 30 20 DBED N/C(=N\CC(=O)NCCN1CCCCCC1)N1CCOCC1 262629295 DAKLYDIJMIMCSP-UHFFFAOYSA-N 311.430 -0.375 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCO[C@@H](C)C2)C1=O 271423456 NKXACAHBLSDGEB-UWVGGRQHSA-N 309.322 -0.353 30 20 DBED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc2c(c1)CCO2 272067170 UUHQNGFDCDSFRZ-UHFFFAOYSA-N 303.318 -0.022 30 20 DBED C=CCN1CC[C@@H](N(C)Cc2cc(=O)n(C)c(=O)n2C)C1=O 281363033 NYJPKTIBTXDDCB-GFCCVEGCSA-N 306.366 -0.697 30 20 DBED C=CCCCCCN(C)C(=O)C(=O)N1CCO[C@@H](C(N)=O)C1 298649818 LFNKUTXEVBIALP-GFCCVEGCSA-N 311.382 -0.096 30 20 DBED N#Cc1ccccc1OC[C@@H](O)CNCC(=O)N1CCOCC1 322342967 BQNJYYUEFSIOJD-AWEZNQCLSA-N 319.361 -0.254 30 20 DBED CN(C)CCN1CCC(N/C(O)=N/C[C@@H]2COCCO2)CC1 328884324 YMFJWOQJXCZOHK-CQSZACIVSA-N 314.430 -0.069 30 20 DBED C[C@H](O)CN1CCN(/C(O)=N/[C@@H]2CCc3ncnn3C2)CC1 329245608 AIQZSSBFUNGJLF-NWDGAFQWSA-N 308.386 -0.495 30 20 DBED Cn1c(O)ncc(/C(O)=N/C[C@H]2CCCCS2(=O)=O)c1=O 329493792 CXJFNEXUHIKLAT-MRVPVSSYSA-N 315.351 -0.242 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@]1(O)CCN(C)C1 336929502 AMJVAHPMCOCQNR-VXGBXAGGSA-N 304.416 -0.631 30 20 DBED CN(C1CCC(CO)CC1)S(=O)(=O)N1CCO[C@@H](C#N)C1 336942505 KPIUKUCWHPPYIV-BPCQOVAHSA-N 317.411 -0.062 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@H]1CC[C@H](C(N)=O)O1 336942988 LADAVFNEYASYCV-GMTAPVOTSA-N 318.399 -0.665 30 20 DBED CNC(=O)[C@@H](CCSC)NS(=O)(=O)N(C)[C@H](C)CC#N 341664626 HOVGOXZLNBPDOR-NXEZZACHSA-N 322.456 -0.078 30 20 DBED COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(C#N)o2)CCO1 344404930 FFDYQFCJKZZNKK-VIFPVBQESA-N 300.292 -0.286 30 20 DBED C=CCN1C(=O)C(=O)N(Cc2nc(C(=O)OCC)no2)C1=O 345857913 WPXLLKOBVVEABM-UHFFFAOYSA-N 308.250 -0.277 30 20 DBED CCCN1CCC[C@H]1CNS(=O)(=O)N1CCO[C@@H](C#N)C1 352513068 URMXJCHPHKLJSG-STQMWFEESA-N 316.427 -0.080 30 20 DBED C=C[C@@H](CO)NC(=O)CCc1c(C)nc2nc(N)nn2c1C 356857335 RGSVZNJJZZANBH-JTQLQIEISA-N 304.354 -0.081 30 20 DBED C=CCNc1nnc(S(=O)(=O)CCC(=O)NCC)s1 361847366 CDSNVOUXTLVBMX-UHFFFAOYSA-N 304.397 0.436 30 20 DBED COCCO[C@H]1COCC[C@@H]1NS(=O)(=O)N(C)CCC#N 362619932 CKTGRABZWVIYPN-RYUDHWBXSA-N 321.399 -0.513 30 20 DBED C=CCNC(=O)CNC(=O)N1CCC[C@@H](S(=O)(=O)NC)C1 367766932 GYKNMECKVTZHBR-SNVBAGLBSA-N 318.399 -0.988 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1C(=O)NCC(=O)OC 416093846 MRHSPIBURKOXEM-UTUOFQBUSA-N 310.350 -0.142 30 20 DBED C#CCNC(=O)C1CCN(C(=O)Cn2nnnc2C(C)C)CC1 491808417 VSXWPDCXUWSUSQ-UHFFFAOYSA-N 318.381 -0.216 30 20 DBED COc1cc(C#N)ccc1NC(=O)C(=O)NCCOCCO 545295027 IZZCRHPNUVUTGB-UHFFFAOYSA-N 307.306 -0.370 30 20 DBED C=CCN(CC(=O)O)S(=O)(=O)c1cnn(CC(=O)OC)c1 547902774 JCYGOVPOSXWJJZ-UHFFFAOYSA-N 317.323 -0.683 30 20 DBED N#Cc1ccc(F)c(CS(=O)(=O)N[C@@H]2COC[C@H]2O)c1 565844309 YEORRAAKVXZRCF-VXGBXAGGSA-N 300.311 -0.124 30 20 DBED COC(=O)C(C)(C)CS(=O)(=O)N1CC[C@@](O)(CC#N)C1 592078241 OIBIRLCLIHNCKJ-LBPRGKRZSA-N 304.368 -0.134 30 20 DBED C=CCNC(=O)Cn1cc(CN2CCC[C@H]2C(=O)OC)nn1 600976515 QQZPFQOHHWDMST-LBPRGKRZSA-N 307.354 -0.282 30 20 DBED CN(C(=O)C(=O)N1CCN(CCC#N)CC1)[C@@H]1CCCC[C@H]1O 601511939 NQNXKPSRVVSUCW-ZIAGYGMSSA-N 322.409 -0.194 30 20 DBED CN(CCCN[C@@H](C(N)=O)c1ccc(C#N)cc1)S(C)(=O)=O 609675838 RDIFELNNNMIHSC-CYBMUJFWSA-N 324.406 -0.044 30 20 DBED CCOC(=O)CCCS(=O)(=O)N(CC#N)CC(=O)OC 610151152 CFPZHTQAMRSEOM-UHFFFAOYSA-N 306.340 -0.342 30 20 DBED CNC(=O)[C@@H]1CN(C(=O)Nc2ccn(CCC#N)n2)CCO1 611621117 FMTVIHQFAYAZCB-JTQLQIEISA-N 306.326 -0.225 30 20 DBED C[C@H](C#N)CNC(=O)N1CCN(S(=O)(=O)N(C)C)CC1 611634086 LRVOYRGHUMGXHR-SNVBAGLBSA-N 303.388 -0.720 30 20 DBED C=CCCNC(=O)NCCN1CCN(S(C)(=O)=O)CC1 660553636 RVRVNZGALTXZQZ-UHFFFAOYSA-N 304.416 -0.561 30 20 DBED COCCN(C)S(=O)(=O)NCCNc1ccc(C#N)cn1 732217115 AHRSSVOKNHGBMF-UHFFFAOYSA-N 313.383 -0.222 30 20 DBED N#Cc1ccc(CNC(=O)COC(=O)c2nonc2N)cc1 744866939 QIOJXALEFAUATB-UHFFFAOYSA-N 301.262 -0.003 30 20 DBED COC(=O)c1c(S(=O)(=O)Nc2nn(C)cc2C#N)n[nH]c1C 755977546 BJTBBINEPJNQDN-UHFFFAOYSA-N 324.322 -0.089 30 20 DBED C#Cc1ccc(C(=O)NCCNS(=O)(=O)NC(C)C)nc1 758173373 FYVCAGOAMMABHX-UHFFFAOYSA-N 310.379 -0.375 30 20 DBED C#CCNC(=O)[C@@H](C)OC(=O)c1cn(CC2(C)COC2)nn1 759771709 ZCKKJDDFVRZWDV-SNVBAGLBSA-N 306.322 -0.391 30 20 DBED Cc1cc(O)cc(=O)n1CCC(=O)OCC(=O)NCCC#N 782294002 YJQZXMNVHDKMPJ-UHFFFAOYSA-N 307.306 -0.175 30 20 DBED C=CCS(=O)(=O)CCNC(=O)Cn1ccc([N+](=O)[O-])n1 783539786 SSLFPBZGNXOWJO-UHFFFAOYSA-N 302.312 -0.492 30 20 DBED C=CCN1CC[C@H](OC(=O)CS(=O)(=O)CCOC)C1=O 798596466 INTWOMLOYQVTND-JTQLQIEISA-N 305.352 -0.622 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)NCCOc2cccnc2)CCO1 800053981 OMVFEBHNLKJJJC-GFCCVEGCSA-N 312.351 -0.481 30 20 DBED COC(=O)CNC(=O)CNC(=O)Cc1cccc(OCC#N)c1 807970356 GVBLIOPEZHYDEJ-UHFFFAOYSA-N 319.317 -0.463 30 20 DBED CC(=NNC(=S)NCC(N)=O)c1cc([N+](=O)[O-])ccc1N 814844545 KKPWDVFHYKUDBU-UHFFFAOYSA-N 310.339 -0.150 30 20 DBED C=CCCn1cc(C(=O)NS(=O)(=O)c2ccnn2C)nn1 820633029 UYXNBGMVHFOCMB-UHFFFAOYSA-N 310.339 -0.294 30 20 DBED C=CCN(C(=O)C(=O)N[C@H]1CS(=O)(=O)C[C@H]1OC)C(C)C 829929262 LLULDUBMZHPAPJ-WDEREUQCSA-N 318.395 -0.662 30 20 DBED C#CCN(C(=O)NC1CN(C(=O)O)C1)[C@H]1CCS(=O)(=O)C1 833365701 XSHXMEXNQMRSPA-JTQLQIEISA-N 315.351 -0.820 30 20 DBED C#CC[C@@H](NC(=O)CNC(=O)COc1ccccc1)C(=O)OC 837931556 OGBBGDXBOZMMHW-CYBMUJFWSA-N 318.329 -0.137 30 20 DBED C=CCN1CCN(CN2CCN(S(C)(=O)=O)[C@@H](C)C2)C1=O 840039299 FUCOBHNYMHANLB-LBPRGKRZSA-N 316.427 -0.167 30 20 DBED C#CCO[C@H](C)C(=O)NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 847894250 INNMEQOYPSNAPW-MRVPVSSYSA-N 313.291 -0.167 30 20 DBED C#CC[C@@H](CCOC)NC(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 858585628 LJKHOPIARKMEDT-NWDGAFQWSA-N 317.411 -0.252 30 20 DBED C#CCN(C)CCCNC(=O)C(=O)Nc1cnn(CCF)c1 861871837 BMKZRFOXFZPMLR-UHFFFAOYSA-N 309.345 -0.138 30 20 DBED N#Cc1cc(C(=O)N2CC[C@H](NC(=O)c3cnon3)C2)c[nH]1 938505245 UIPJQHGEJXBBEL-VIFPVBQESA-N 300.278 -0.086 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CNC(=O)[C@H]2COC(=O)N2)CC1 949390460 GDOOBLUUVLYUFP-GXSJLCMTSA-N 308.338 -0.391 30 20 DBED CC#CCN1C[C@@H](O)[C@H](CNC(=O)c2cc(=O)c(OC)co2)C1 958262071 GLYCPVJOFKRZEV-DGCLKSJQSA-N 320.345 -0.306 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](CNC(=O)c2cn(C)c(=O)cn2)C1 958271514 GAHAJVXAMSPVQQ-OCCSQVGLSA-N 320.393 -0.231 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)C2CCN(C(C)=O)CC2)C1 958657347 HEQRQUVWGMAXGO-LSDHHAIUSA-N 307.394 -0.713 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2cc(N(C)C)ccn2)C1 958740599 RNPKXIDRFGRRNJ-DOMZBBRYSA-N 302.378 -0.197 30 20 DBED N#Cc1c[nH]c(C(=O)N2C[C@H](O)[C@H](NC(=O)CC3CC3)C2)c1 961142191 IPDKXUYXFDLGNC-OLZOCXBDSA-N 302.334 -0.012 30 20 DBED CCc1nc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)co1 962387544 GHELJFWMTQKZQE-NGZCFLSTSA-N 306.322 -0.302 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)c1cncnc1O 964242267 SCTZCHFILWTWQL-VHSXEESVSA-N 319.321 -0.701 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)CC(N)=O)CC[C@H]2C1 967328807 JWSKFQGPMDYDJK-UTUOFQBUSA-N 306.366 -0.282 30 20 DBED CC#CCN1CC[C@H](C)[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1 968417557 GDGREYCVBGTDOP-WCQYABFASA-N 305.378 -0.111 30 20 DBED COCc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)o1 968820369 HMQMNFBXIBWXKZ-JLLWLGSASA-N 321.333 -0.113 30 20 DBED N#CCN1CCO[C@]2(CCN(C(=O)C[C@@H]3CCCC(=O)N3)C2)C1 972458804 NRRUMFRAXXPWDL-XJKSGUPXSA-N 320.393 -0.128 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)CCc3cnn[nH]3)C2)C1 972561264 NECFAGSWPYWQLK-HNNXBMFYSA-N 303.366 -0.326 30 20 DBED C#Cc1cncc(C(=O)N[C@H]2C[C@@H](NC(=O)c3cnn(C)n3)C2)c1 974312376 BUTLGALZKQIWTN-BETUJISGSA-N 324.344 -0.118 30 20 DBED N#Cc1cc(C(=O)NC[C@H]2[C@@H]3CN([C@H]4CCNC4=O)C[C@H]23)c[nH]1 978030018 RXLZWZMSQKRKBE-FQUUOJAGSA-N 313.361 -0.318 30 20 DBED C#Cc1ccc(C(=O)N(C)C[C@@H]2CCN2C(=O)C(N)=O)nc1 978103215 DVHCCYHCKZUJMH-NSHDSACASA-N 300.318 -0.779 30 20 DBED CC#CCN1C[C@@]2(C)CN(C(=O)[C@H]3CNC(=O)N3)C[C@@]2(C)C1 982496734 MRNAIJVCAIKGHS-WQVCFCJDSA-N 304.394 -0.139 30 20 DBED Cn1cncc1CC(=O)N1CC(NC(=O)c2cc(C#N)c[nH]2)C1 990700697 ULQFWAMDKQGGJQ-UHFFFAOYSA-N 312.333 -0.197 30 20 DBED C=CCCN1CCC[C@H](NC(=O)CN2CCNC(=O)C2)[C@@H]1C 993706706 XTMOEUFOJWILRC-KBPBESRZSA-N 308.426 -0.037 30 20 DBED C#Cc1ccccc1CC(=O)NC1CN(C(=O)c2cn(C)nn2)C1 997236537 UCWCXTFLWNXSNK-UHFFFAOYSA-N 323.356 -0.020 30 20 DBED C=CCN1CCC([C@H](C)NC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 997778875 FGNAOYWCMQYSPD-JQWIXIFHSA-N 308.382 -0.013 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)[C@H]2CCCc3nn[nH]c32)C1 998566396 BUWJVNRNIGHZQK-WPRPVWTQSA-N 302.338 -0.289 30 20 DBED C[C@H](C#N)C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1c[nH]c(=O)cn1 999803883 RQRPDUKEOBWGOA-SVDPJWKOSA-N 315.333 -0.209 30 20 DBED O=C1CC[C@H](C(=O)NC2[C@H]3CN(C(=O)C#CC4CC4)C[C@H]23)N1 1012864482 PGMRITBJZQQEBK-SDDRHHMPSA-N 301.346 -0.749 30 20 DBED C#CCOc1ccc(C(=O)N[C@@H]2CCN(CC(N)=O)C2)cc1 1015810029 YEVFWCHYBXDDIU-CYBMUJFWSA-N 301.346 -0.012 30 20 DBED C#CCN1CCCC[C@@H]1CNC(=O)C1CC2(C1)NC(=O)NC2=O 1024700776 FZRCVZQGSJSFSU-BWBHSNQOSA-N 318.377 -0.422 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@H]3COCCO3)C[C@H]2O)C1 1025523864 HJQKZSOHCOLNML-JHJVBQTASA-N 324.377 -0.554 30 20 DBED C=C(C)CN[C@@H]1CC[C@@H]2CN(C(=O)Cn3ncn(C)c3=O)C[C@H]21 1026297487 DTLRSKMSPCWDTM-MGPQQGTHSA-N 319.409 -0.016 30 20 DBED C=C(C)CN1CC[C@@H](CNC(=O)[C@H]2CCS(=O)(=O)N2)C1 1028990627 NIJGOZILXRHRIP-NWDGAFQWSA-N 301.412 -0.308 30 20 DBED CC#CCN1C[C@@H]2C[C@H]1CN2C(=O)Cn1nc(C)n(C)c1=O 1032759839 CBPXLSASABEGNC-STQMWFEESA-N 303.366 -0.801 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)c2nc3nccc(C)n3n2)C1 1035598628 WXOTZUZCYQSVCG-LBPRGKRZSA-N 314.349 -0.503 30 20 DBED C=CCN1CC[C@@H]2CN(C(=O)CN3C(=O)CN(C)C3=O)CC[C@H]21 1036888879 QWYNLVYJFBROLA-CHWSQXEVSA-N 320.393 -0.011 30 20 DBED C#CCCCC(=O)N1CC[C@@](O)(CNC(=O)[C@H]2CCNC2=O)C1 1040486740 WFAVIZGOBPMWCI-BLLLJJGKSA-N 321.377 -0.994 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)c2cnns2)C1 1040762261 GYWRJSQZTGEGQP-UFBFGSQYSA-N 309.351 -0.609 30 20 DBED C=CCCOCC(=O)N1CC(O)(CNC(=O)CSC)C1 1041365047 MJOOPKQQXPWWBX-UHFFFAOYSA-N 302.396 -0.368 30 20 DBED C[C@@H]1CN(c2nccnc2C#N)C[C@H]1NC(=O)[C@H]1COC(=O)N1 1041892037 JVSLSOYMSNBNQO-FBIMIBRVSA-N 316.321 -0.602 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)[C@H]2OCC[C@H]2C)C1 1042801541 MMSUGQDEKGGTLE-OCCSQVGLSA-N 308.378 -0.096 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)CCN2CCCCC2)C1 1043426877 OHURHKVMJURVPI-ZDUSSCGKSA-N 322.409 -0.288 30 20 DBED N#CCN1CCC2(CC1)CO[C@H](CNC(=O)[C@H]1CCC(=O)N1)C2 1045665030 VEALDFJDYYRYIZ-QWHCGFSZSA-N 320.393 -0.224 30 20 DBED C#CCN1CCC(F)(F)[C@@H](CNC(=O)[C@H]2COC(=O)N2)C1 1046933512 DWDAHULXRGBHDF-VHSXEESVSA-N 301.293 -0.199 30 20 DBED CN(C(=O)[C@H]1CCc2nncn2CC1)[C@H]1CN(CC#N)C[C@@H]1O 1047462356 AOHVCSQZQNVZHW-AVGNSLFASA-N 318.381 -0.742 30 20 DBED C=CCCC(=O)N(C)[C@H]1CN(C(=O)[C@H]2CCC(=O)N2C)C[C@@H]1O 1048514988 PECGLPSCJCBKOV-AGIUHOORSA-N 323.393 -0.397 30 20 DBED C=CCOCC(=O)N(C)[C@H]1CN(C(=O)[C@@H](C)SC)C[C@@H]1O 1048554659 CHSOAZDVTZGGFC-WOPDTQHZSA-N 316.423 -0.029 30 20 DBED C#CCCN1CCOC[C@H]1CNC(=O)c1cc(OC)n(C)n1 1051013990 MIMUFFFLKVAKDO-GFCCVEGCSA-N 306.366 -0.117 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)CNC(N)=O)C[C@@H]1C 1051928907 QSYXBRPHUNFWNV-WDEREUQCSA-N 312.370 -0.932 30 20 DBED C#CCN1CCN([C@H]2CCN(C(=O)Cc3cnn(C)c3)C2)CC1 1051992873 NDOIWGGPPQWDLM-INIZCTEOSA-N 315.421 -0.186 30 20 DBED CC#CCN1CCC[C@H](NC(=O)CN2CCC(=O)NC2=O)CC1 1052845387 WZWCNGWGPKTUAK-ZDUSSCGKSA-N 320.393 -0.078 30 20 DBED C[C@@H](C(N)=O)N1CC2(C[C@@H](NC(=O)c3cc(C#N)c[nH]3)CO2)C1 1053766745 UVJMIDBSIZBXIJ-GXSJLCMTSA-N 317.349 -0.667 30 20 DBED Cc1csc(=O)n1CC(=O)N[C@@H]1COC2(C1)CN(CC#N)C2 1054004217 JOOMNWMDDCZNEC-NSHDSACASA-N 322.390 -0.299 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)CN3C(=O)CCC3=O)CO2)C1 1054004596 RGTNSCSSCLJMGF-GFCCVEGCSA-N 319.361 -0.882 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)[C@H](C)N3CCOCC3)CO2)C1 1054026291 UYVNCJZIRHTJMJ-KBPBESRZSA-N 307.394 -0.700 30 20 DBED C[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1NCCN1C(=O)CCC1=O 1054628971 ODWJCYZCBLMIGC-GXTWGEPZSA-N 317.389 -0.015 30 20 DBED N#Cc1nccnc1N1CCN(C(=O)[C@@H]2CCCNC2=O)CC1 1055928576 WEZAVSMWFRYQDT-LLVKDONJSA-N 314.349 -0.477 30 20 DBED C[C@H](C#N)C(=O)N[C@]1(CO)CCCN(C(=O)c2cnnn2C)C1 1056094357 SBACXPYMMNFFLF-QMTHXVAHSA-N 320.353 -0.942 30 20 DBED N#Cc1cnccc1N1C[C@H]2C(NC(=O)[C@H]3CCC(=O)N3)[C@@H]2C1 1056147718 QLXIGKQLXHFFGM-IJLUTSLNSA-N 311.345 -0.217 30 20 DBED C=CCO[C@H](C)C(=O)NCCN(CCO)C(=O)c1cnc(C)[nH]1 1057210570 MRFZLCSGRRKWAN-LLVKDONJSA-N 324.381 -0.140 30 20 DBED CCn1ccnc1C(=O)NCCN(CCO)C(=O)C#CC1CC1 1057531569 URXOLQCSYYKCGQ-UHFFFAOYSA-N 318.377 -0.133 30 20 DBED Cc1ncn(C)c1C(=O)NCCN(CCO)C(=O)C#CC1CC1 1057536401 WHNIJBMINDNRCY-UHFFFAOYSA-N 318.377 -0.307 30 20 DBED C=C(C)CCC(=O)N(CCO)CCNC(=O)[C@@H](COC)OC 1057805364 BABJNVJMHBFQBD-CYBMUJFWSA-N 316.398 -0.059 30 20 DBED N#Cc1cnc(N2CCC(NC(=O)[C@H]3CNC(=O)N3)CC2)cn1 1057934081 NEDYJFHLKJTJEX-LLVKDONJSA-N 315.337 -0.885 30 20 DBED C=CC(C)(C)CC(=O)NCCN(CCO)C(=O)c1cnn(C)n1 1058094323 FIFRPJGDVBLQJB-UHFFFAOYSA-N 323.397 -0.032 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)c1cccn(C)c1=O 1058233746 WDLRFEOGWRUUQA-UHFFFAOYSA-N 321.377 -0.098 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)C[C@](C)(O)C1CC1 1058653386 UIEHSWNCWRAJAU-ABAIWWIYSA-N 311.382 -0.366 30 20 DBED C=CCOCC(=O)N1CCOC[C@H]1CNC(=O)c1ccon1 1061349390 CUNSWEVNOQGHHN-LLVKDONJSA-N 309.322 -0.166 30 20 DBED C#CCCCC(=O)NC[C@@H]1COCCN1C(=O)CNC(=O)CC 1061536674 TWAHAMDFQXZRKS-CYBMUJFWSA-N 323.393 -0.340 30 20 DBED CNC(=O)CCCC(=O)N1CCOC[C@@H]1CNC(=O)[C@H](C)C#N 1061848115 OVTNJBUYXJAUTO-NEPJUHHUSA-N 324.381 -0.594 30 20 DBED Cn1nnc2c(N3C[C@@H]4C[C@H]3CN4C(=O)C#CC3CC3)ncnc21 1062487991 FGAKLHUMGZQHJQ-RYUDHWBXSA-N 323.360 -0.039 30 20 DBED CN(C(=O)Cn1cnnn1)[C@H]1CCN(c2ccc(C#N)nc2)C1 1062876203 DZQLFIUFZQKXCF-ZDUSSCGKSA-N 312.337 -0.323 30 20 DBED CN(C(=O)Cn1nccn1)[C@@H]1CCN(c2ccc(C#N)nn2)C1 1062984208 SKJKECFYRBKOFF-GFCCVEGCSA-N 312.337 -0.323 30 20 DBED C=CCCOCC(=O)NCC1(NC(=O)CNC(N)=O)CCC1 1063425574 LMZWMZVCEKAIIE-UHFFFAOYSA-N 312.370 -0.598 30 20 DBED CC(C)C#CC(=O)N1CCO[C@@H](CNC(=O)c2ncn(C)n2)C1 1065129043 NAKGBGRVDCDRJJ-LBPRGKRZSA-N 319.365 -0.568 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)Cn2nccn2)CCO1 1065194686 FYWFWNFQWWNUMS-CYBMUJFWSA-N 319.365 -0.719 30 20 DBED Cc1nonc1C(=O)N1CCO[C@@H](CNC(=O)[C@H](C)C#N)C1 1065309150 KXPPDVHXBQHERO-SCZZXKLOSA-N 307.310 -0.505 30 20 DBED C=C1CCC(C(=O)N2CCO[C@H](CNC(=O)C(N)=O)C2)CC1 1065576327 OWZITYKCHQHAQR-GFCCVEGCSA-N 309.366 -0.438 30 20 DBED N#Cc1ccc(N2C[C@@H]3CCCN(C(=O)CC(N)=O)[C@@H]3C2)nn1 1066227217 XZEHGNBUMHYIHK-CMPLNLGQSA-N 314.349 -0.349 30 20 DBED C[C@@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1Nc1ncccc1C#N 1067149944 YUXHKOYRXYAFMX-PWSUYJOCSA-N 312.337 -0.101 30 20 DBED N#Cc1cnc(NCC2CC(NC(=O)Cn3ncnn3)C2)cn1 1067866545 KYHZXRPCJYTCCP-UHFFFAOYSA-N 313.325 -0.658 30 20 DBED C[C@H]1C[C@@H](Nc2cnc(C#N)cn2)CN1C(=O)c1nnn(C)n1 1069178303 MHTRNJUFJVKSIO-DTWKUNHWSA-N 313.325 -0.413 30 20 DBED N#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@]23COC[C@@H]2C3)C1 1069931408 FREIFAYMMFIJLM-OPDFLTKYSA-N 302.338 -0.820 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)[C@H]2CCN(C)C2)CCOCC1 1070232422 JHDFPODETHEODU-STQMWFEESA-N 322.409 -0.121 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1c1cn(C)cn1 1070535625 BRWXLPPRVBMNPW-OWTLIXCDSA-N 315.377 -0.941 30 20 DBED COCC(=O)N(C)CC(=O)N1CCC[C@@H](NC(=O)[C@H](C)C#N)C1 1070853145 UXDMXESQTLJAJN-VXGBXAGGSA-N 324.381 -0.642 30 20 DBED CC#CCN1C[C@H]2C[C@@H]3CN(C(=O)[C@H]4C[C@H]4C(N)=O)C[C@@]3(C1)O2 1070855081 BNPXFZKGJJEOPA-MNLSVMLLSA-N 317.389 -0.567 30 20 DBED C#CCCN1CCNC(=O)CCN(C(=O)c2cnn(C)n2)CC1 1071008382 WUHAJAQLPXGKFV-UHFFFAOYSA-N 318.381 -0.898 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@@H]1C 1072017796 KWTCKJOSTXKPOT-NWDGAFQWSA-N 321.381 -0.016 30 20 DBED C=C[C@H](C)[C@@H](C)C(=O)N1CC(N2CCN(C(=O)C(N)=O)CC2)C1 1073596485 WQRDWWKILHCEIO-NWDGAFQWSA-N 322.409 -0.715 30 20 DBED N#CCN1CCCO[C@@H](CNC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 1073772754 XIABAXLJBKPNJY-AGIUHOORSA-N 308.382 -0.381 30 20 DBED Cc1nc(O)[nH]c1C(=O)N1CC[C@@H]2OCCN(CC#N)[C@@H]2C1 1074271735 QYKKECVPOMTIRD-MNOVXSKESA-N 305.338 -0.137 30 20 DBED Cn1ccc(C(=O)N2CC[C@@H]3OCCN(CC#N)[C@@H]3C2)cc1=O 1074280094 XWNOMJGDURZMTO-KGLIPLIRSA-N 316.361 -0.176 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)CCc3cnn[nH]3)C[C@H]21 1074340054 FZDGCPZZLZGDKG-ZIAGYGMSSA-N 303.366 -0.328 30 20 DBED CC[C@@H](C(=O)NCC1(O)CCN(C(=O)[C@H](C)C#N)CC1)N(C)C 1074705626 VZOMTEKNNYJNLU-OLZOCXBDSA-N 324.425 -0.044 30 20 DBED C=CCCOCC(=O)N1CC[C@@H](NC(=O)CC(N)=O)C[C@@H]1C 1074905058 PMRBMTGGLWDEKY-NWDGAFQWSA-N 311.382 -0.050 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)[C@]1(C)CCOC1 1076218764 FFQUWNMEIYUPID-BLLLJJGKSA-N 323.393 -0.437 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CN(CCn3cccn3)C[C@H]2O)c[nH]1 1076905985 IROISJFZLHRBCY-ZIAGYGMSSA-N 314.349 -0.442 30 20 DBED C=CC(C)(C)C(=O)N[C@@H](C)CCNC(=O)Cn1ncn(C)c1=O 1077211060 DJOGILJJWUHYRL-NSHDSACASA-N 323.397 -0.195 30 20 DBED C=CCOCC(=O)N1CC(N(CC)C(=O)Cn2cncn2)C1 1080584105 KJHIVANXSIKEPU-UHFFFAOYSA-N 307.354 -0.460 30 20 DBED CC(=O)N(C)CC(=O)NC[C@@H]1CN(C(=O)C#CC(C)C)C[C@H]1O 1081290191 UKFUVWHICROFMX-ZIAGYGMSSA-N 323.393 -0.940 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)Cc2ncc[nH]2)C[C@@H]1O 1081439339 OPBVLHPJDZHVCP-STQMWFEESA-N 318.377 -0.309 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(C(=O)c2cnccn2)C[C@H]1O 1081469492 XMUHLHFRJCAZSA-TZMCWYRMSA-N 314.345 -0.561 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@@H]1CCCc2nn[nH]c21 1082072747 GVMINMMGWBWMQX-YUSALJHKSA-N 304.354 -0.436 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2cn([C@H](C)COC)nc2C)C1 1083460331 BMTAVYCEKNCVTM-DFBGVHRSSA-N 320.393 -0.193 30 20 DBED C#CCN[C@@H]1CCCC[C@H]1NC(=O)CN1CCN(C)C(=O)C1 1085250240 LGSSTDIUJHSWNS-ZIAGYGMSSA-N 306.410 -0.589 30 20 DBED CC#CCN1CC[C@@H]2CN(C(=O)[C@@H]3CN(C)C(=O)N3)C[C@@H]2C1 1088066453 LCQMLRVHQKWVHS-RDBSUJKOSA-N 304.394 -0.186 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CN(c2ncnc3[nH]cnc23)C[C@H]1O 1090404217 KEKPGCYHUBCIQH-IWSPIJDZSA-N 301.310 -0.822 30 20 DBED CC[C@@H](C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1O)N(C)C 1090454578 DXBLEVRYFSTJKB-FRRDWIJNSA-N 318.381 -0.646 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1O 1090490350 QWQASFJFLRNIKN-RAIGVLPGSA-N 315.333 -0.948 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(c2nccc(OC)n2)C[C@@H]1O 1091081870 PGDUCXRIRAAYLQ-MNOVXSKESA-N 308.338 -0.647 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1091118296 HFCFGBCEHRWZRB-RTXFEEFZSA-N 317.349 -0.395 30 20 DBED CCc1nc(C#N)cc(N[C@H]2C[C@@H](CNC(=O)C(N)=O)C2)n1 1091395191 JAXGRJKZRVKRFT-DTORHVGOSA-N 302.338 -0.297 30 20 DBED CC(C)OCC(=O)N[C@H]1CCN(c2ccc(C#N)nn2)C[C@@H]1O 1092143832 UYVAJFIGGFCLDB-STQMWFEESA-N 319.365 -0.171 30 20 DBED N#Cc1nccc(N2C[C@H]3C(NC(=O)CCn4ccnn4)[C@@H]3C2)n1 1093260337 JRWSMMDOWUCOTR-GHMZBOCLSA-N 324.348 -0.419 30 20 DBED N#CCNC1CCC2(CC1)CN(C(=O)[C@@H]1COC(=O)N1)CCO2 1093396333 IJIWIDUYURYTSW-AVERBVTBSA-N 322.365 -0.252 30 20 DBED N#CCNC1CCC2(CC1)CN(C(=O)[C@@H]1CCC(=O)N1)CCO2 1093410581 BRPZCZHPJLZRSE-UYJPIKCFSA-N 320.393 -0.082 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)c3snnc3C)CC2=O)C1 1094702923 HOZWBWXUMFZYKU-SNVBAGLBSA-N 319.390 -0.505 30 20 DBED N#Cc1cnccc1N1CCC(CNC(=O)CNC(N)=O)CC1 1095338574 FKFLLMSNSYKIJK-UHFFFAOYSA-N 316.365 -0.046 30 20 DBED C=CCOCC(=O)N1CC[C@H](Nc2nccn3nnnc23)C1 1096926158 RGIGLGNQRQCHGU-JTQLQIEISA-N 303.326 -0.265 30 20 DBED Cc1cc(=N[C@H](C)CNC(=O)Cn2cnnc2O)c(C#N)c[nH]1 1097788368 XLQQGZJSMHSFPY-SNVBAGLBSA-N 315.337 -0.403 30 20 DBED C[C@@H](CNC(=O)c1cnc2[nH]nnc2c1)N=c1cc[nH]c(C#N)n1 1098356222 OXBZCXDSJNCDDD-QMMMGPOBSA-N 323.320 -0.333 30 20 DBED Cc1cc(=NC[C@H]2CCN(C(=O)CNC(N)=O)C2)c(C#N)c[nH]1 1098500826 LRQYBLBGVXKJBP-LLVKDONJSA-N 316.365 -0.388 30 20 DBED N#CCNCc1cn([C@H]2CCN(C(=O)c3cnn[nH]3)C2)nn1 1098688823 ZQJXWACXTPOROX-JTQLQIEISA-N 301.314 -0.903 30 20 DBED C[C@H](CCNC(=O)[C@@H]1CN(C)CCO1)N=c1cc[nH]c(C#N)n1 1098997959 CTBAUQBERYMJGI-NEPJUHHUSA-N 318.381 -0.593 30 20 DBED C[C@@H](CCNC(=O)CCn1cnnn1)Nc1nccnc1C#N 1099416981 MGXPMOVMSDQVQK-JTQLQIEISA-N 315.341 -0.268 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)Cc2ccoc2)[C@H](O)C1 1099785897 JTODSSQSASCCBG-ZIAGYGMSSA-N 319.361 -0.877 30 20 DBED CN(CCNC(=O)[C@@H]1COCCN1C)c1ncccc1C#N 1100028362 QBRNNNLLDCVKLJ-ZDUSSCGKSA-N 303.366 -0.164 30 20 DBED CN(CCNC(=O)[C@H]1CCS(=O)(=O)N1)c1ncccc1C#N 1100120524 COFTYFAQLHJYGP-LLVKDONJSA-N 323.378 -0.803 30 20 DBED COCC#CCNC1CC(CNC(=O)[C@@H]2CCN(C)C(=O)C2)C1 1100449500 OTWIYSMNULYNBA-SHARSMKWSA-N 321.421 -0.011 30 20 DBED N#Cc1cnc(N2CC[C@@H](CNC(=O)Cc3nc[nH]n3)C2)cn1 1101011252 AQBZLLSQWVXSCI-JTQLQIEISA-N 312.337 -0.348 30 20 DBED CC(C)(C(N)=O)C(=O)NC[C@H]1CCN(c2ccnc(C#N)n2)C1 1101022955 VRAQUOFXOKECBE-SNVBAGLBSA-N 316.365 -0.198 30 20 DBED CNC(=O)NCC(=O)N(C)[C@H]1CCN(c2ccc(C#N)cn2)C1 1102766749 IQQXOFZCEWTYQQ-LBPRGKRZSA-N 316.365 -0.081 30 20 DBED CC[C@@H](CNC(=O)[C@@]1(C)CCNC1=O)N=c1cc[nH]c(C#N)n1 1103322747 FGAHTJXNFGRALO-BONVTDFDSA-N 316.365 -0.397 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)[C@H](C)CNc1ccc2nnnn2n1 1104683975 PTUVNORVHSWKIH-MNOVXSKESA-N 317.353 -0.184 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(n2cc(CNCC#N)nn2)C1 1105240744 ZQRPYWWNMRCQHU-NSHDSACASA-N 302.338 -0.687 30 20 DBED C=CCNCc1cn(C2CN(C(=O)[C@H](C)CC(N)=O)C2)nn1 1105301885 XZXWZOYLUYDDQW-SNVBAGLBSA-N 306.370 -0.552 30 20 DBED CNC(=O)NCCC(=O)N(C)CCN(C)c1ccnc(C#N)n1 1105383581 UTIQILCFBCWSRU-UHFFFAOYSA-N 319.369 -0.438 30 20 DBED CN(C)CCOCC(=O)NC[C@H](O)CNc1ccc(C#N)nc1 1105903769 LPMNTTMIGKLYDK-CQSZACIVSA-N 321.381 -0.580 30 20 DBED N#Cc1nccnc1NC[C@@H](O)CNC(=O)CCCCC(N)=O 1105958110 VYJGTIPPPBZXQV-JTQLQIEISA-N 320.353 -0.717 30 20 DBED C[C@H](C(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1)C(F)(F)F 1106048084 ZMIQFIVVVDSWPJ-HTQZYQBOSA-N 317.271 -0.142 30 20 DBED N#Cc1cnc(NC/C=C\CNC(=O)Cn2ncnn2)c(F)c1 1107355853 ZJIMHVPXVVAMOM-UPHRSURJSA-N 316.300 -0.137 30 20 DBED N#Cc1nc(=NC/C=C\CNC(=O)[C@]2(F)CCOC2)cc[nH]1 1107482717 QSLSEHHTFVHVCV-BOPNBLERSA-N 305.313 -0.017 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)C(C)(C)S(C)(=O)=O)C1 1108255439 CUZJHPVDKGAOAM-AWEZNQCLSA-N 316.423 -0.350 30 20 DBED COCC#CCN1CCO[C@](C)(CNC(=O)[C@@H]2CCC(=O)N2)C1 1108351681 NJOKZIIAFNBBLL-XJKSGUPXSA-N 323.393 -0.878 30 20 DBED CC#CCN1CCO[C@](C)(CNC(=O)[C@@H]2CN(CC)CCO2)C1 1108408275 DPVAZCIONHCZQI-DOTOQJQBSA-N 323.437 -0.063 30 20 DBED C[C@H](CN(C)c1ncc(C#N)cc1F)NC(=O)[C@@H]1CNC(=O)N1 1109210959 MRMZIQYXXNVDLS-KCJUWKMLSA-N 320.328 -0.285 30 20 DBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1ncc[nH]1 1109237065 SELCNLPBNPCKOT-VWYCJHECSA-N 302.338 -0.615 30 20 DBED C[C@H](CC(N)=O)C(=O)N[C@]1(C)CCN(c2ccc(C#N)nn2)C1 1110802601 REZKUKOARJXZJM-MEBBXXQBSA-N 316.365 -0.055 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@]1(O)CCN(c2ccc(C)nn2)C1 1111098029 KQFPYVYVAORXMB-BBRMVZONSA-N 318.377 -0.119 30 20 DBED N#Cc1cncc(NCCN(CCO)C(=O)CN2CCCC2)n1 1111476379 GFORYFRZLBIXAR-UHFFFAOYSA-N 318.381 -0.323 30 20 DBED C[C@H]1CN(c2ccc(C#N)nn2)CC[C@@H]1NC(=O)CC(N)=O 1112394430 AJZSNTWXOQWOBE-ONGXEEELSA-N 302.338 -0.445 30 20 DBED CC(C)OCC(=O)NC[C@H]1CN(c2cncc(C#N)n2)C[C@H]1O 1112709929 QQFIQYBHUNKMMJ-WCQYABFASA-N 319.365 -0.313 30 20 DBED C#CCNC(=O)CC(=O)N1CCN(Cc2cc(C)on2)CC1 1112774067 FMTWLLFUQDQNDD-UHFFFAOYSA-N 304.350 -0.233 30 20 DBED C[C@H](N=c1cc[nH]cc1C#N)[C@@H](C)NC(=O)Cn1cnnn1 1112904990 GRPAGWYYSPILKY-VHSXEESVSA-N 300.326 -0.633 30 20 DBED C[C@@H](CNC(=O)c1cnn(C)n1)N(C)c1cnc(C#N)cn1 1113651803 JVUVDQLGMRJKCN-VIFPVBQESA-N 300.326 -0.269 30 20 DBED C#CCN1CCC(C(=O)N2CCN(CCOCCO)CC2)CC1 1113677659 HAFQJBVQEPBUGK-UHFFFAOYSA-N 323.437 -0.515 30 20 DBED C[C@@H](C[C@@H]1CCCO1)C(=O)N1CCN(CC(=O)NCC#N)CC1 1113703546 BSDMBMMILUJPBD-KBPBESRZSA-N 322.409 -0.024 30 20 DBED CCN(CCC#N)C(=O)CN1C[C@H]2C(NC(=O)CCOC)[C@@H]2C1 1113759306 BREKDLKFEWXIGV-CHWSQXEVSA-N 322.409 -0.169 30 20 DBED C=CCNC(=O)NC(=O)CN1C[C@H]2C(NC(=O)CC3CC3)[C@@H]2C1 1113770120 PHMNFOGXLJONTQ-VXGBXAGGSA-N 320.393 -0.155 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)C3=COCCO3)[C@H]2C1 1113811398 AXXZPXRUJJXLFA-QWRGUYRKSA-N 307.350 -0.777 30 20 DBED CN1CCC[C@H](N2C[C@@H]3C(NC(=O)CSCC#N)[C@H]3C2)C1=O 1113897152 POEAGNDDHBFMON-SRVKXCTJSA-N 322.434 -0.090 30 20 DBED Cc1ncncc1C(=O)NC1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]12 1113941959 DWGOELRBDZBAAB-VXGBXAGGSA-N 314.349 -0.915 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)c3ccnn3C)[C@H]2C1 1113983518 QNVOICKKINPZON-QWRGUYRKSA-N 303.366 -0.618 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)c3c[nH]c(=O)cn3)[C@@H]2C1 1114739833 WIKIQMRFCGPHJL-GHMZBOCLSA-N 302.334 -0.920 30 20 DBED CCn1cnc(C(=O)N[C@H]2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]32)c1 1115128679 QDIROYNOIOJQAL-YABSGUDNSA-N 316.365 -0.797 30 20 DBED C=CCOCCN1C[C@H]2[C@H](NC(=O)[C@H](C)N3CCOCC3)[C@H]2C1 1115357248 YRKMUMLHTBHSBK-CAOSSQGBSA-N 323.437 -0.044 30 20 DBED C=CCS(=O)(=O)CCNC(=O)[C@@H](C)N1CCN(C)CC1 1116548933 ZDXYATHGRJZXAA-GFCCVEGCSA-N 303.428 -0.661 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCO[C@@H](C(F)(F)F)C1 1117396091 MZHBONPFPSMPNC-SECBINFHSA-N 308.256 -0.458 30 20 DBED C#CCSCCNC(=O)C(=O)NCCN1CCSCC1 1117461713 MFXPPXNTAVNYSL-UHFFFAOYSA-N 315.464 -0.366 30 20 DBED C=CCn1cc(CNC(=O)C(=O)NCCCC2(O)CCC2)nn1 1118178045 DIKLABRYYAQTHM-UHFFFAOYSA-N 321.381 -0.108 30 20 DBED C[C@H]1CN(C(=O)C(=O)N2CCN(CCC#N)CC2)CC[C@H]1O 1118969783 VFVMMYUYIZXAQK-QWHCGFSZSA-N 308.382 -0.726 30 20 DBED C#Cc1cncc(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)OC)c1 1120803277 QZXGMWMBWFBUNG-GFCCVEGCSA-N 322.342 -0.525 30 20 DBED CN1CCC[C@@H]1C(=O)NC[C@H](CO)Nc1nccnc1C#N 1121239379 AWLZMTNHMBSQNZ-ZYHUDNBSSA-N 304.354 -0.669 30 20 DBED N#Cc1nc(=N[C@@H](CO)CNC(=O)[C@H]2C[C@@H]2C(F)F)cc[nH]1 1121383496 AMCVGVIMDWXLGP-VGMNWLOBSA-N 311.292 -0.440 30 20 DBED COCC[C@H](C)C(=O)NC[C@@H](CO)N=c1cc[nH]cc1C#N 1121607482 PBXXTBOSMZVOMB-AAEUAGOBSA-N 306.366 -0.063 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)c1cccc(C)n1 1123725734 AGCZDRLBQRZGMJ-UHFFFAOYSA-N 319.365 -0.279 30 20 DBED CO[C@@H](C)C(=O)N(C)C[C@@H](O)CN=c1cc(C)[nH]cc1C#N 1124123906 KYQFYKOPECWXIE-AAEUAGOBSA-N 306.366 -0.050 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](O)CN(C)C(=O)c2cnn[nH]2)n1 1124896495 OQFQCZWZJLQICE-SNVBAGLBSA-N 316.325 -0.680 30 20 DBED C#CCO[C@@H](C)C(=O)NCc1cnn2c1CN(C[C@H](C)O)CC2 1128363477 ZOXNEGUXYHXDQB-STQMWFEESA-N 320.393 -0.266 30 20 DBED C=CCNC(=O)CNCCNC(=O)CCNC(=O)[C@@H]1C[C@@H]1C 1128634608 UCIATHXIXNVMTF-NWDGAFQWSA-N 310.398 -0.843 30 20 DBED C#CCN1CCOC[C@@H]1c1n[nH]c(CNC(=O)[C@H](C)C#N)n1 1130835440 MSGQKMHDHYONJP-GHMZBOCLSA-N 302.338 -0.413 30 20 DBED C=CCN1CCOC[C@@H]1c1n[nH]c(CNC(=O)CCN(C)C)n1 1130856859 OVIMROIRYQFPOI-GFCCVEGCSA-N 322.413 -0.068 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@H]1c2c[nH]nc2CC[C@@H]1C 1131513892 NPXUARKPBKQULN-XHDPSFHLSA-N 317.393 -0.469 30 20 DBED C[C@@H]1CC[C@H](NC(=O)Cn2cccn2)CN1CC(=O)NCC#N 1131787809 MJGBVGKRFGSFBD-OLZOCXBDSA-N 318.381 -0.508 30 20 DBED C[C@H]1CC[C@@H](NC(=O)C2=CCOCC2)CN1CC(=O)NCC#N 1131981430 WHKOLOZXBPIWRC-GXTWGEPZSA-N 320.393 -0.058 30 20 DBED C=CCNC(=O)CNCCNC(=O)Cc1ccccc1C(N)=O 1132236589 VFAUXKIZKKTEGN-UHFFFAOYSA-N 318.377 -0.664 30 20 DBED N#Cc1ccccc1CNCCNC(=O)[C@@H]1CC(=O)NC(=O)N1 1134460773 HVERQIGBCNYZML-LBPRGKRZSA-N 315.333 -0.638 30 20 DBED C=CCOCCNCCNC(=O)[C@@H](NC(=O)COC)C(C)C 1134911319 SNXOIKACSPUBKI-AWEZNQCLSA-N 315.414 -0.318 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1cn(CCC=C)nn1 1135075260 CYUCVFPUWMXBNO-GFCCVEGCSA-N 318.381 -0.689 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)CCNC(=O)C1CCC1 1135201636 JHYWGARMGOFXJT-LBPRGKRZSA-N 324.425 -0.311 30 20 DBED C#CCN[C@@H](C)C[C@@H](C)NC(=O)CN(C)S(=O)(=O)CC 1135821079 KNSHOPZORHTHST-NWDGAFQWSA-N 303.428 -0.226 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@@H](C)Cc1cnn(C)c1 1136012535 PWMXVMPEAYBQKX-STQMWFEESA-N 319.409 -0.558 30 20 DBED C=CCOc1cccnc1C(=O)NCCN[C@@H]1CCNC1=O 1147290422 IPZQUTINMDCTKN-LLVKDONJSA-N 304.350 -0.146 30 20 DBED CC(C)NC(=O)CN1CCCO[C@@H](CNC(=O)[C@H](C)C#N)C1 1149409162 UCGWRVCHALBDBV-OLZOCXBDSA-N 310.398 -0.122 30 20 DBED C=CCOCCN1CCCO[C@H](CNC(=O)c2nc[nH]n2)C1 1150461898 LAHVJYOMVRQYFZ-GFCCVEGCSA-N 309.370 -0.172 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@@H](C(C)C)N1CCCCC1 1152480543 WQJVASWWHOJGQE-MRXNPFEDSA-N 322.453 -0.048 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)[C@@H](C)OCC=C 1153134981 KKFFKONCAXJKST-LLVKDONJSA-N 312.370 -0.705 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)[C@H](COC)OC 1155105628 SPGHFMAXQYKJPU-OLZOCXBDSA-N 313.398 -0.776 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)C[C@@H]2COC(=O)C2)C1=O 1156580163 VQRZOTONGQBHPW-QWHCGFSZSA-N 323.393 -0.178 30 20 DBED COCC1(CNC(=O)c2cnnn2C)CCN(CC#N)CC1 1162246967 QTJDNTBQOHFOFU-UHFFFAOYSA-N 306.370 -0.203 30 20 DBED CC[C@@H]1CCCN1C(=O)C(=O)NCCCNCC(=O)NCC#N 1170477911 WUKPHRZIYKUAJI-GFCCVEGCSA-N 323.397 -0.877 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)Cc1cncn1C 1171244240 KMOZEIRXIQJPBX-LBPRGKRZSA-N 305.382 -0.804 30 20 DBED CO[C@H](C(=O)NCCCNCC(=O)NCC#N)C1CCCC1 1174804335 RRKUGEMPMMGYIH-AWEZNQCLSA-N 310.398 -0.073 30 20 DBED CC(=O)NCC(=O)NCCCCCCNCC(=O)NCC#N 1177780717 RESQRHIGLPGZFD-UHFFFAOYSA-N 311.386 -0.972 30 20 DBED N#CCNC[C@H]1C[C@H]2CC[C@H]1N(C(=O)CN1CCOCC1=O)C2 1177792689 LLOLMZNOWWPSOD-MGPQQGTHSA-N 320.393 -0.415 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)c2cc(=O)n(C)cn2)C1 1183369819 WIGSQPSNVYYNOY-GFCCVEGCSA-N 304.350 -0.766 30 20 DBED C#CCNC[C@H]1CCN(C(=O)CCNS(C)(=O)=O)C[C@@H]1C 1184523418 LPQYKCPMEDLLHX-QWHCGFSZSA-N 315.439 -0.367 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)CCCOC)C1 1191377174 QBOQVJUFALDBLD-JHJVBQTASA-N 313.398 -0.735 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)[C@H]2CCC(=O)N2C)C1 1191931052 PAGPBUGOQBGROJ-QWHCGFSZSA-N 322.409 -0.558 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCCO2)C1 1192230390 NSFGXJBRAWDWIG-UPJWGTAASA-N 311.382 -0.981 30 20 DBED CCc1c(C(=O)N[C@@H]2CN(CC#CCOC)C[C@H]2O)cnn1C 1194384536 CKXVGIQVPHYSGR-UKRRQHHQSA-N 320.393 -0.593 30 20 DBED Cc1cc(C(=O)N2CCCN(CC(=O)NCC#N)CC2)cnn1 1195612717 PNVNKYQVMVNFCE-UHFFFAOYSA-N 316.365 -0.427 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCCN(CCOCCO)CC1 1195681518 FGMUTJRPBOFOTJ-OAHLLOKOSA-N 300.399 -0.143 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)COC[C@H](C)N2CCCC2)C1 1196299213 HOGPETXYZUOGNV-RRFJBIMHSA-N 309.410 -0.718 30 20 DBED C[C@H]1CC[C@H](C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@H]2O)CC1 1197984075 KHZFLLUFMIXVRR-AAVRWANBSA-N 322.409 -0.386 30 20 DBED N#CCNCC1CCN(C(=O)CCc2nnc(O)nc2O)CC1 1205609299 WOXQMJHWUYIQBA-UHFFFAOYSA-N 320.353 -0.433 30 20 DBED C[C@@H](OCC1CC1)C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1206472475 IKUVDMIBLLOTRH-YRGRVCCFSA-N 322.409 -0.122 30 20 DBED C=CCCN1C[C@@H](NC(=O)CCNS(C)(=O)=O)[C@H](C)C1 1207297248 APQGGLFGQRDZRD-VXGBXAGGSA-N 303.428 -0.062 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)c2ncn(C)n2)C1 1207975382 PHAUJZIPYIJQPZ-NSHDSACASA-N 306.370 -0.689 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCCN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1209134942 UJDGIBNBSOGYRD-BTFPBAQTSA-N 319.405 -0.403 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)c2n[nH]cc2F)C1 1209502974 DRNZCZNGWDOSSC-SNVBAGLBSA-N 307.329 -0.508 30 20 DBED C#CCCCCC(=O)N[C@@H]1CN([C@@H]2CCNC2=O)C[C@H]1OC 1212146458 PWNSWIXSQBOHLE-MGPQQGTHSA-N 307.394 -0.116 30 20 DBED COCC#CCN1C[C@@H](NC(=O)CCn2ccnc2)[C@H](OC)C1 1213241772 NQQHBYJPHMDQLY-HUUCEWRRSA-N 320.393 -0.262 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@H]2CCCCO2)C1 1219459015 NSFGXJBRAWDWIG-FRRDWIJNSA-N 311.382 -0.981 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)CCCn2nc(C)nc2C)C1 1220732173 KNPMTVHDCOJXAW-KGLIPLIRSA-N 305.382 -0.530 30 20 DBED CC[C@@H](OC)C(=O)NCC1CCN(CC(=O)NCC#N)CC1 1222573526 GKLFFKWYEQXAMG-CYBMUJFWSA-N 310.398 -0.121 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)Cc1ccon1 1225468433 BGLPSJSRLMJNAO-ZIAGYGMSSA-N 318.377 -0.017 30 20 DBED CS(=O)(=O)NCCC(=O)N[C@@H]1CCCC[C@H]1NCC#N 1226579420 GXNUYEQJMBLEDC-GHMZBOCLSA-N 302.400 -0.534 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCN(CC(F)(F)F)CC1 1260309186 GGBRELCTAPOZLM-UHFFFAOYSA-N 321.299 -0.541 30 20 DBED N#CCNC(=O)CNC(=O)N[C@H]1CCO[C@@]2(CCSC2)C1 1261100125 JHQAORQUGYHULL-GWCFXTLKSA-N 312.395 -0.020 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCO[C@@H](C)[C@H]1C 1261181219 RUJDUABKMTVXLZ-MNOVXSKESA-N 318.395 -0.661 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N1CCN(CC(C)C)C(=O)C1 1261328454 GVAWFRAPIOEWDJ-UHFFFAOYSA-N 317.389 -0.202 30 20 DBED C#CCNC(=O)CN1CCC[C@H](NC(=O)CN(C)CCC)C1 1316954723 OQNWPEPFDWZAQT-AWEZNQCLSA-N 308.426 -0.342 30 20 DBED C[C@@]1(O)CCN(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1 1320687252 PXKZOFSWWCTRCI-GCZGRYASSA-N 308.338 -0.321 30 20 DBED CCC1(O)CCC(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)CC1 1323528284 NRJUUVGVYYBZOI-AVERBVTBSA-N 309.366 -0.063 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)NCCNC(=O)c1ccco1 1323551438 CHOYKFXSTZHHLL-JTQLQIEISA-N 309.322 -0.557 30 20 DBED CCOC(=O)N1CCN(C(=O)C(=O)N2CCO[C@@H](C#N)C2)CC1 1325534824 YDHUSFGFQNEWBX-NSHDSACASA-N 324.337 -0.962 30 20 DBED COCC1(CNC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)CCC1 1326110019 FAWAYJGCHPSNSH-HNNXBMFYSA-N 309.366 -0.204 30 20 DBED N#C[C@H]1CC[C@@H](NC(=O)C(=O)NCCCC(=O)NC2CC2)C1 1328078720 GVROODGAZOAVLF-CMPLNLGQSA-N 306.366 -0.030 30 20 DBED N#CCCN1CCN(C(=O)C(=O)N2CCC[C@@H](CCO)C2)CC1 1330541288 LOGGUBOCEFUBCN-AWEZNQCLSA-N 322.409 -0.335 30 20 DBED N#CC[C@H]1CCCN(C(=O)C(=O)NCCN2CCCC2=O)C1 1330646283 SEHGXLZVOUTCJG-GFCCVEGCSA-N 306.366 -0.123 30 20 DBED C=CCNC(=O)CNC(=O)c1oc(S(N)(=O)=O)cc1C 1330781934 GBZIUZDGEAPENI-UHFFFAOYSA-N 301.324 -0.733 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)NCC2SCCS2)C1 1333454480 CXZQRSUJUYUFBT-LBPRGKRZSA-N 315.420 -0.214 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N=c1ccnc2n(C)[nH]cc1-2 1342426413 KOUJLQRCTHFGCO-UHFFFAOYSA-N 309.329 -0.235 30 20 DBED C=CCS(=O)(=O)CCn1nnnc1N1CCC[C@H](OC)C1 1344096203 USIWSFCMYMYTPK-NSHDSACASA-N 315.399 -0.111 30 20 DBED C#CCOCCN(C)C(=O)CCn1cnc2c(N)ncnc21 1349912767 MGWQIVRABSSWRJ-UHFFFAOYSA-N 302.338 -0.093 30 20 DBED C=CCCOCCn1nnnc1N1CCO[C@H](C(=O)OC)C1 1355637846 KGMNOMKTTOYCMQ-NSHDSACASA-N 311.342 -0.356 30 20 DBED CN1CCC[C@@H](CNC(=O)Cn2cc(C#N)c(O)nc2=O)C1 1362079061 MORUFHZHRULVKX-JTQLQIEISA-N 305.338 -0.721 30 20 DBED CCc1noc(C)c1CNC(=O)Cn1cc(C#N)c(O)nc1=O 1362480916 LNORAAPBULGSAO-UHFFFAOYSA-N 317.305 -0.004 30 20 DBED C[C@H](C(=O)N1CCS(=O)(=O)[C@@H]2CCC[C@@H]21)n1cnc(C#N)n1 1363218827 DGABTYCVAGZJMO-OUAUKWLOSA-N 323.378 -0.111 30 20 DBED C[C@@H](c1nnnn1C)N1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 1364938566 DQEFROGSKUFODZ-JTQLQIEISA-N 314.353 -0.071 30 20 DBED N#CCc1ccccc1S(=O)(=O)N1C[C@@H](CO)[C@@H](CO)C1 1365454992 WKOWDIUZUOEKAJ-BETUJISGSA-N 310.375 -0.026 30 20 DBED COCCN(CCC#N)S(=O)(=O)N(C)CCc1ncon1 1365742621 DEWNZPMMCMMYNU-UHFFFAOYSA-N 317.371 -0.349 30 20 DBED C=C(Cl)CN1CCOC[C@H]1CNC(=O)Cn1cnnn1 1380812772 YSCPNRKTPSCLRI-SNVBAGLBSA-N 300.750 -0.757 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CCNC(=O)Cn2cnnn2)CC1 1399221753 SOTRSHLCJXLOQB-NSHDSACASA-N 319.369 -0.422 30 20 DBED COC(=O)[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)CC1(C#N)CC1 1413401667 FKPFWLWQXYRXED-IUCAKERBSA-N 317.367 -0.724 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@@H]1CCN(C(=O)c2ccc(=O)n(C)n2)C1 1427523391 ZHIGRCQHNGELOI-GHMZBOCLSA-N 317.349 -0.387 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)COCc2ccnn2C)C1 1428235952 RWDRXYYFRJDIFM-IJLUTSLNSA-N 319.365 -0.140 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]1CN(C)C(=O)CN1CCOCC1=O 1429017395 RXWMRVYAGOLDJY-RYUDHWBXSA-N 322.365 -0.936 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)[C@@H](C)CN2CCOCC2)C1 1430155034 SCOOTRCIMDMHSR-XUXIUFHCSA-N 322.409 -0.122 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C(=O)CN1CCOCC1=O)C1CC1 1431911203 AUDKUPGBMZINBX-NSHDSACASA-N 322.365 -0.888 30 20 DBED COCCN(CC(F)F)C(=O)Cn1cc(C#N)c(O)nc1=O 1433643771 JGAGSSLAIIUSND-UHFFFAOYSA-N 316.264 -0.439 30 20 DBED C[C@H](C#N)C(=O)N1CCC(NC(=O)CCN2CCOCC2)CC1 1446770139 MMLINCFECRLODV-CYBMUJFWSA-N 322.409 -0.024 30 20 DBED CC(=O)NCC(=O)NCC1CN(C(=O)c2cc(C#N)c[nH]2)C1 1450541440 AVEFQOZWGNNTEN-UHFFFAOYSA-N 303.322 -0.789 30 20 DBED CNC(=O)CCCN(C)C(=O)CCn1cc(C#N)c(O)nc1=O 1466139937 XUUILNQHCQSRLJ-UHFFFAOYSA-N 321.337 -0.805 30 20 DBED C#CCNC(=O)CN[C@@H](C)CCNC(=O)C1(F)CCOCC1 1492035559 IXKXOQYERFSYPM-LBPRGKRZSA-N 313.373 -0.261 30 20 DBED C=C(Cl)C(C)(C)C(=O)N[C@H](CO)CNC(=O)CNC(=O)O 1573338565 DUPFVYVFTKQNJY-QMMMGPOBSA-N 321.761 -0.374 30 20 DBED C=CCN(CC=C)C(=O)CN1CC(NC(=O)[C@H]2C[C@@H]2C(=O)O)C1 1573360368 MOTNMCNWVIQLOY-STQMWFEESA-N 321.377 -0.292 30 20 DBED N#Cc1ccc([C@H](O)C(=O)N2CCN(C(=O)C(=O)O)CC2)cc1 1574486115 QRJLXYMGEZVOAG-LBPRGKRZSA-N 317.301 -0.653 30 20 DBED C#CCN(C(=O)NC[C@H]1CC(C(N)=O)=NO1)C1CCNCC1 1574590498 ANSCNNSMMRPOJF-LLVKDONJSA-N 307.354 -0.987 30 20 DBED C[C@@]1(NC(=O)C2CC3(CNC[C@@H]3C#N)C2)CCS(=O)(=O)C1 1576535233 PFKKCVCCPFCVSJ-HJGSJEJJSA-N 311.407 -0.181 30 20 DBED C#C[C@H](CO)NS(=O)(=O)c1ccc(F)cc1-c1nn[nH]n1 1588327016 ABJDBZKUGAQXPO-MRVPVSSYSA-N 311.298 -0.722 30 20 DBED C=CCCC[C@H](NC(=O)c1cn(CC(=O)O)nn1)C(=O)OC 1588459000 YUHZDKICQGMOOS-VIFPVBQESA-N 310.310 -0.010 30 20 DBED C=CCN(CC=C)C(=O)C(=O)NC1CCN(CC(=O)O)CC1 1588463495 UEKNTZOLXZHNCX-UHFFFAOYSA-N 309.366 -0.148 30 20 DBED N#C[C@@H]1CN(C(=O)C2(C(=O)O)CCS(=O)(=O)CC2)CCO1 1594605639 HZHRXKGPRIDSNC-SECBINFHSA-N 316.335 -0.983 30 20 DBED C[C@H](NC(=O)[C@H](C)NC(=O)N1CCO[C@](C)(C#N)C1)C(=O)O 1599895956 DXLLEMMJXUZBQY-MWODSPESSA-N 312.326 -0.712 30 20 DBED Cc1c(C#N)c(=O)n(CC2(CC(=O)O)CC2)c(=O)n1CCO 1599974097 KLPJBAIMCANUEE-UHFFFAOYSA-N 307.306 -0.563 30 20 DBED N#Cc1ccc([C@@H](C(=O)O)N2C[C@@H](C(N)=O)[C@@H](C(N)=O)C2)cc1 1601093876 CFKBJRIWSHFWMF-TUAOUCFPSA-N 316.317 -0.797 30 20 DBED C#CC[C@H](COC)NC(=O)Nc1nn(C)cc1-c1nn[nH]n1 1602697452 NFWVWRFXUWDBHZ-MRVPVSSYSA-N 304.314 -0.240 30 20 DBED C#CCN(CC(=O)O)c1nnc(-c2cnn(CC)c2O)n1C 1602699069 GSNCEYYVPBPSJH-UHFFFAOYSA-N 304.310 -0.072 30 20 DBED C#CCCS(=O)(=O)NC(=O)Cc1ccc(-c2nn[nH]n2)nc1 1602714069 INVBXDGCHZQOHZ-UHFFFAOYSA-N 320.334 -0.727 30 20 DBED C=CCOC[C@@H](NC(=O)CCC(=O)N1CCOCC1)C(=O)O 1602910315 UVNZJENORLYKTC-LLVKDONJSA-N 314.338 -0.603 30 20 DBED CCOC(=O)C[C@H](O)Cn1c(C)nc(C#N)c1-c1nn[nH]n1 1604371640 GDERETWJFDBAHA-QMMMGPOBSA-N 305.298 -0.443 30 20 DBED Cc1c(C(=O)NCCC(=O)NCCC(=O)O)cnn1CCC#N 1607508748 XFZDIEFBBVFWNR-UHFFFAOYSA-N 321.337 -0.184 30 20 DBED N#Cc1ccc([C@H](O)C(=O)N2C[C@H](O)C[C@@H](C(=O)O)C2)cc1 1608201703 GMSFDPFSKVVVDY-UPJWGTAASA-N 304.302 -0.114 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)N2CCC[C@H]2CC(=O)O)C1 1610620902 QMNXLFKMKRHJKP-HZMBPMFUSA-N 309.322 -0.671 30 20 DBED N#CCc1cccc(S(=O)(=O)N2CCC(O)(C(N)=O)CC2)c1 1645927713 BSHRGGCSWNWUEU-UHFFFAOYSA-N 323.374 -0.246 30 20 DBED C=CCOCCN[C@H]1CCN(C(=O)[C@@H]2CCCS2(=O)=O)C1 1714334350 JPTAZSXBUCQMHV-STQMWFEESA-N 316.423 -0.043 30 20 DBED C#CCN1CCN(CCNC(=O)c2ccc(=O)n(CC)n2)CC1 1752375034 RMDYCPIUCNQNBS-UHFFFAOYSA-N 317.393 -0.756 30 20 DBED C=CCNC(=O)CN1CC(NC(=O)c2ncccc2OC)C1 1753392236 KRFBNCUMTBYIJQ-UHFFFAOYSA-N 304.350 -0.194 30 20 DBED C#CCNC(=O)CN1CC[C@H](N(C)C(=O)c2cc[n+]([O-])cc2)C1 1753429620 BARXUMGXNGJASD-AWEZNQCLSA-N 316.361 -0.784 30 20 DBED N#CCNC(=O)CNC/C=C/CNC(=O)c1csc(O)n1 1754160196 GISXSEYUZVNXPQ-OWOJBTEDSA-N 309.351 -0.636 30 20 DBED CCOc1cc(C(=O)NCC2(NCC(=O)NCC#N)CC2)[nH]n1 1754517751 BTOFYNQWZKZYQA-UHFFFAOYSA-N 320.353 -0.700 30 20 DBED Cc1cc(CCC(=O)N(C)C2CN(CC(=O)NCC#N)C2)no1 1754581996 PSBHGCNWWIKNML-UHFFFAOYSA-N 319.365 -0.302 30 20 DBED C=CCNC(=O)CN1CC[C@@](O)(CNC(=O)[C@@H]2CCCO2)C1 1754747045 DUOFTNWBYTXQED-SWLSCSKDSA-N 311.382 -0.979 30 20 DBED CC#CCN1CC[C@@](O)(CNC(=O)[C@H]2CC(=O)N(CC)C2)C1 1754754196 LXXDAJVJZAQBSM-XJKSGUPXSA-N 307.394 -0.569 30 20 DBED C=C(C)CNC[C@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@@H]1C 1754817216 MJIFSFYJYZQLSB-KBPBESRZSA-N 308.426 -0.322 30 20 DBED N#CCN1CCC2(CC1)CN(C(=O)C(=O)NCC(F)F)C2 1754961879 JJUWIPVATDMDKZ-UHFFFAOYSA-N 300.309 -0.184 30 20 DBED C=CCNC(=O)[C@H](C)NC[C@H]1CN(C(=O)CCOC)CCO1 1754996925 VARSMQAYHYHTTF-STQMWFEESA-N 313.398 -0.469 30 20 DBED CC(C)C#CC(=O)NC[C@@H](CO)NCCNC(=O)NC(C)C 1755627864 LTRQALFBVSBOQV-ZDUSSCGKSA-N 312.414 -0.580 30 20 DBED C#Cc1cncc(C(=O)NC[C@H](CO)NCc2cnnn2C)c1 1755637595 CMGZOIMZLLGQGG-CYBMUJFWSA-N 314.349 -0.928 30 20 DBED COCC#CCN[C@H](CO)CNC(=O)c1coc(CC2CC2)n1 1755643888 SQSFIVIAWUYPMF-ZDUSSCGKSA-N 321.377 -0.043 30 20 DBED CC#CCN1CCC[C@H](NC(=O)CNC(=O)CNC(C)=O)[C@H]1C 1755715593 AYPHONAVPUVVQC-OCCSQVGLSA-N 322.409 -0.769 30 20 DBED C#CCCCC(=O)N1CC(CCO)(NC(=O)Cc2ncc[nH]2)C1 1756087635 JZSPEEHCZVWSBX-UHFFFAOYSA-N 318.377 -0.165 30 20 DBED C[C@H](NC(=O)C#CC(C)(C)C)[C@@H]1CN(C(=O)CC(N)=O)CCO1 1756219389 XPVCGZHNLWESJR-RYUDHWBXSA-N 323.393 -0.357 30 20 DBED CC(C)C#CC(=O)N1CC2(CCCN(C(=O)CNC(N)=O)C2)C1 1756235865 HIOLNAMWGTXBGD-UHFFFAOYSA-N 320.393 -0.235 30 20 DBED C[C@H](C#N)C(=O)NCCOCCCNC(=O)[C@@H]1CCC(=O)NC1 1756401361 HWUFWLMEWARGLE-VXGBXAGGSA-N 324.381 -0.689 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H](CO)NC(=O)c1ccnn1CC 1756521200 LLSPKUBGKQYSNO-VXGBXAGGSA-N 322.365 -0.852 30 20 DBED C=CCOCC(=O)N[C@@H]1C[C@H](C)N(C(=O)Cc2nc[nH]n2)C1 1756600593 HSZXDKFKEVDTDB-WDEREUQCSA-N 307.354 -0.345 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H](O)CN(C)C(=O)/C(C)=C/CC 1756655119 GUJUOGSOKDNBGB-BWODNOAJSA-N 323.393 -0.582 30 20 DBED CN(C[C@H](O)CN(C)C(=O)CSCC#N)C(=O)C#CC1CC1 1756683975 QATNFHVONQLTOE-ZDUSSCGKSA-N 323.418 -0.066 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(C(=O)c2cc[n+]([O-])cc2)C[C@H]1O 1756994611 RFZQROZGEULMJB-ZIAGYGMSSA-N 317.345 -0.719 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(O)n(C)n1)CCO2 1783048296 XVZQLICOJNTUOV-HNNXBMFYSA-N 318.333 -0.798 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(=O)cco1)CCO2 1783049831 VYVOCPCGQKIFBM-MRXNPFEDSA-N 316.313 -0.284 30 20 DBED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCCO3)C[C@@H]21 1790790598 PBMSCUWIXFOGBS-FQUUOJAGSA-N 306.362 -0.222 30 20 DBED N#CCC(=O)N1CCC2(CCCN(C(=O)CNC(=N)N)C2)CC1 1809691045 OLSMKMCLMPURQW-UHFFFAOYSA-N 320.397 -0.386 30 20 DBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)OC)C2)C1 1839810928 YHHUJDSNNVNWNH-DOMZBBRYSA-N 310.350 -0.889 30 20 DBED CO/C=C(\C)C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1844181369 DZFAOKFKEPHSQQ-DHZHZOJOSA-N 306.318 -0.172 30 20 DBED O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1)[C@H]1CO1 1887573920 ZVTKJOKXJYUSKA-UONOGXRCSA-N 304.346 -0.029 30 20 DBED C#CCN1CCN(C(=O)CN2CCN(C(=O)OCC)CC2)CC1 81643665 KTPBAKDBWAOOIF-UHFFFAOYSA-N 322.409 -0.462 30 20 DBED CN/C(N)=N/Cc1cccc(S(=O)(=O)NCCOC)c1 118161353 TZJIRYOHTXVSPB-UHFFFAOYSA-N 300.384 -0.355 30 20 DBED C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N(C)CC#N 120741731 JHXVWEXKGFNUPJ-NSHDSACASA-N 324.406 -0.163 30 20 DBED C#CCCN1CCN(CC(=O)N(C)CC(=O)NCCC)CC1 127283494 WHNKNRHWVMXKQB-UHFFFAOYSA-N 308.426 -0.388 30 20 DBED C=C(C)CNC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 152998548 PHZCTAZXGWPAFJ-MNOVXSKESA-N 300.380 -0.286 30 20 DBED CCNC(=O)C(C)(C)CNc1c(C#N)c(=O)n(C)c(=O)n1C 161343882 TVQBKJBQDISKRQ-UHFFFAOYSA-N 307.354 -0.470 30 20 DBED C/N=C(/NC[C@@H]1CN2CCN1CC2)N1CCC(C(=O)OC)CC1 262741547 CIZPCLONVHDPIZ-CQSZACIVSA-N 323.441 -0.553 30 20 DBED COCCN/C(N)=N/Cc1ccc(S(N)(=O)=O)cc1C 277944202 JBRGGGISJGOTIA-UHFFFAOYSA-N 300.384 -0.307 30 20 DBED C#C[C@H](C)NC(=O)[C@@](C)(O)CN1C(=O)NC2(CCCC2)C1=O 281690123 VGSIVAUFYDSQKE-HZMBPMFUSA-N 307.350 -0.260 30 20 DBED Cc1nc2n(n1)C[C@H](N/C(O)=N/CC(=O)N1CCOCC1)CC2 329253326 ZBUHAWTYXNJLAG-LLVKDONJSA-N 322.369 -0.736 30 20 DBED CN1CCO[C@H](C/N=C(/O)N[C@@H](CO)C2CCOCC2)C1 329465275 RHUILDWTXWEVFE-OLZOCXBDSA-N 301.387 -0.392 30 20 DBED COCC(=O)N1CCN(/C(O)=N/CCCS(C)(=O)=O)CC1 330618802 YOWNZDSTELWFER-UHFFFAOYSA-N 321.399 -0.874 30 20 DBED C=CCCOCCNC(=O)C(=O)N(C)[C@H](C)CS(C)(=O)=O 342001571 IXONFFWFUZIYFQ-LLVKDONJSA-N 320.411 -0.413 30 20 DBED C=CCOC[C@@H]1NC(=O)N(CCNS(=O)(=O)CC)C1=O 348435555 XAUMSIDZLJSTEC-VIFPVBQESA-N 305.356 -0.951 30 20 DBED CCNC(=O)CC(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 351810473 OQRHAPPYBPPQIW-UHFFFAOYSA-N 318.381 -0.225 30 20 DBED CN(C(=O)C(=O)Nc1ccc(F)c(C#N)c1)[C@H]1COC[C@H]1O 356919786 SAQZTJPRZVLBEI-NWDGAFQWSA-N 307.281 -0.146 30 20 DBED C=CCNc1nnc(S(=O)(=O)[C@@H](C)c2nnnn2C)s1 358745867 YQKOXVSNMPXFDY-LURJTMIESA-N 315.384 0.194 30 20 DBED C=CCOC[C@@H](NC(=O)c1ccc(C(N)=O)cn1)C(=O)OC 360725434 KRWNRZFZVLGSPU-LLVKDONJSA-N 307.306 -0.346 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CCC=CO2)CC1 490925318 VGSOCAQYBDSVHG-AWEZNQCLSA-N 305.378 -0.037 30 20 DBED C#CCNC(=O)CCN[C@@H](CCSC)C(=O)N(C)OC 491504057 GCWLTHFGELTKTL-NSHDSACASA-N 301.412 -0.143 30 20 DBED N#C[C@H]1COCCN1C(=O)Cc1ccc(S(N)(=O)=O)cc1 532301972 HJLMTLSETKJEMC-NSHDSACASA-N 309.347 -0.373 30 20 DBED CC(C)[C@H](C#N)N1CCN(C(=O)CN(C)[C@H]2CCNC2=O)CC1 538131683 CEKCUYSSRXZLQM-KBPBESRZSA-N 321.425 -0.501 30 20 DBED N#Cc1ncn(CCNC(=O)N[C@@H]2CCN(CC3CC3)C2)n1 588142374 JMUXSUXXCSOMNM-GFCCVEGCSA-N 303.370 -0.067 30 20 DBED CC1(C(=O)O)CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)CC1 592455629 YNXBFAFPZHJEFW-SNVBAGLBSA-N 317.367 -0.358 30 20 DBED Cc1cc(NC(=O)NC2CC(CO)(CO)C2)nn1CCC#N 599765817 QIFVZRQETQWSLY-UHFFFAOYSA-N 307.354 0.360 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N[C@H]2CCN(C3CC3)C2)CCO1 619708155 OADVPGJOJBLJNK-CMPLNLGQSA-N 300.384 -0.718 30 20 DBED COCCNC(=O)[C@H](C#N)C(=O)[C@@H]1CC(=O)N(CC(C)C)C1 729070332 UHAYDFVHTYVQOU-VXGBXAGGSA-N 309.366 -0.038 30 20 DBED CC(C)(C)C(=O)Cn1cc(C(=O)OCC(=O)NCC#N)nn1 745516980 FQAFTFLQFLOTQR-UHFFFAOYSA-N 307.310 -0.310 30 20 DBED C=CCS(=O)(=O)CCNC(=O)NCC1(O)CC(OCC)C1 770791220 IBLWZTBIPJDIMM-UHFFFAOYSA-N 320.411 -0.184 30 20 DBED C#CCOCCNC(=O)N1CCN(CCC(=O)OC)C[C@H]1C 784553824 MQZPMKSNOLRZDB-CYBMUJFWSA-N 311.382 -0.085 30 20 DBED COc1ccc(S(=O)(=O)O[C@H]2CNOC2)cc1C(N)=O 809381520 XLVKHWOEBAHEON-ZETCQYMHSA-N 302.308 -0.597 30 20 DBED COCCONC(=O)C(=O)NCc1ccc(OC)c(C#N)c1 809501965 YPQOHCFHFHMSSH-UHFFFAOYSA-N 307.306 -0.123 30 20 DBED CN1C(=O)CN(NS(=O)(=O)c2ccc(C#N)c(F)c2)C1=O 813689610 IFSLYMPKBQFZCK-UHFFFAOYSA-N 312.282 -0.215 30 20 DBED C#CC[C@H](CO)NC(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O 816669538 UNGTYPCRMMZKPJ-XHBSWPGZSA-N 321.377 -0.013 30 20 DBED C#CC[C@H](CO)NC(=O)c1ccc([C@@]2(C)NC(=O)NC2=O)cc1 816674895 NCVPUBKDSFBOMR-MLGOLLRUSA-N 315.329 -0.145 30 20 DBED C#CC[C@H](CO)NC(=O)c1cc(N2CCNC(=O)C2)ccn1 820059785 MRFDYCLVLKCKRI-LLVKDONJSA-N 302.334 -0.868 30 20 DBED C#CCO[C@H](C)C(=O)N1CCN([C@@H](C)C(=O)NC2CC2)CC1 822303695 ZVXMANKFEAQAPS-QWHCGFSZSA-N 307.394 -0.164 30 20 DBED CN1CCN(CCC(=O)N2CCNC[C@@H]2C#N)C(C)(C)C1=O 826699544 PCCPHEVEEOTFHN-LBPRGKRZSA-N 307.398 -0.747 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)c1ccccc1OCC(N)=O 857836024 FRWTWKNEOZPCFA-JTQLQIEISA-N 304.302 -0.155 30 20 DBED C#CCCCNC(=O)N1CCCN(C(=O)CNC(C)=O)CC1 858258236 ZCKZLYUEVIJTNF-UHFFFAOYSA-N 308.382 -0.220 30 20 DBED C#CC[C@@H](CCOC)NC(=O)CN(C)[C@@H]1CCS(=O)(=O)C1 863783595 RVFCSZPZGWAIQH-QWHCGFSZSA-N 316.423 -0.350 30 20 DBED Cc1cnn([C@@H]2CCCNC2)c1C(=O)N[C@@H]1CNC[C@H]1C#N 876801825 JJXDVQGBOHLYEO-JHJVBQTASA-N 302.382 -0.043 30 20 DBED C#CCN1CCC[C@@H](NC(=O)NCCCn2cc(CO)nn2)C1 890365024 NUEUUXQVYAGJGW-CYBMUJFWSA-N 320.397 -0.443 30 20 DBED C#CCN1CCC[C@H](NC(=O)N(C)CCNC(=O)N(C)C)C1 890367021 HOHXKFPDQDAWNH-ZDUSSCGKSA-N 309.414 -0.003 30 20 DBED N#Cc1ccc(NCCNC(=O)CN2CCCNC2=O)nc1 915260234 BNVVTFAPDYEALB-UHFFFAOYSA-N 302.338 -0.103 30 20 DBED C#CCN(C(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1)C(C)C 928627103 KHCZTIQELVZXOO-LLVKDONJSA-N 312.395 -0.043 30 20 DBED C=C(C)CN[C@@H]1CN(C(=O)CN2CC(=O)N(C)C2=O)C[C@H]1C 939525852 WYFJHIPLROFYJA-VXGBXAGGSA-N 308.382 -0.107 30 20 DBED CCN(C(=O)c1c[nH]c(C#N)c1)[C@@H]1CCN(C(=O)C(N)=O)C1 942752279 NPEBEVZRTRTEJS-LLVKDONJSA-N 303.322 -0.565 30 20 DBED Cc1cc(C(=O)NC[C@@H]2CN(C(=O)[C@@H](C)C#N)CCO2)cnn1 944567138 MUQGHDZPACVWSN-GXFFZTMASA-N 317.349 -0.098 30 20 DBED C#CCN1C[C@H]2CCN(C(=O)CN3CCOCC3=O)CC[C@H]2C1 946625986 MEZDOZNPVZLKMW-GASCZTMLSA-N 319.405 -0.351 30 20 DBED C=C1CC(C)(C(=O)N[C@H]2[C@H]3C[C@H]2N(C(=O)Cn2cnnn2)C3)C1 947991421 DFRKMPYGENZVTB-LOWVWBTDSA-N 316.365 -0.255 30 20 DBED C[C@H]1C[C@H](NC(=O)c2cn(C)c(=O)nc2O)CCN1CC#N 948032547 UYFWYTAIJCAZKQ-VHSXEESVSA-N 305.338 -0.408 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(NC(=O)C2CS(=O)(=O)C2)CC1 948096503 LVBOWXIRBASUCK-VIFPVBQESA-N 313.379 -0.702 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCN(Cc2cnon2)CC1 948825357 AIVLMKODIMUGOR-AWEZNQCLSA-N 303.366 -0.189 30 20 DBED N#CCN1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1CNC(=O)N1 948952912 AHUIJPPPFNGTAG-KBPBESRZSA-N 313.361 -0.093 30 20 DBED COc1cnc(C(=O)NC[C@@H]2CCN2C(=O)[C@@H](C)C#N)nc1 951316455 RDIZLOVWUDEOMM-UWVGGRQHSA-N 303.322 -0.024 30 20 DBED C#Cc1cncc(C(=O)NC[C@H]2CCN2C(=O)c2nc[nH]n2)c1 952014897 WTRNUYCVELXTSG-GFCCVEGCSA-N 310.317 -0.175 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(N(C)C(=O)[C@H]2CN(C)C(=O)N2)CC1 954133823 QPIXPUZTYIPWOF-CMPLNLGQSA-N 321.381 -0.381 30 20 DBED C#Cc1ccc(C(=O)N2CCC(N(C)C(=O)C(N)=O)CC2)cn1 954343590 YAXUPCMYIDPINL-UHFFFAOYSA-N 314.345 -0.389 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2nc[nH]n2)C1 954631203 SCIFOFAMNXCADN-LBPRGKRZSA-N 316.365 -0.815 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@](C)(NC(=O)c2c[nH]c(=O)cn2)C1 957446291 DWTJTFSNAOGOQP-YMTOWFKASA-N 303.322 -0.350 30 20 DBED N#Cc1ccc(C(=O)NC[C@H]2CN(Cc3cnon3)C[C@@H]2O)[nH]1 957984937 AVUNZGMZTHKEHU-ZANVPECISA-N 316.321 -0.508 30 20 DBED C#CCN1C[C@H](CNC(=O)c2cn3c(n2)CCCC3)[C@@H](O)C1 958117791 WGKOVCWNDAICOR-JSGCOSHPSA-N 302.378 -0.125 30 20 DBED C#CCCN1C[C@@H](O)[C@@H](CNC(=O)c2cn(C)ccc2=O)C1 958250143 XQGWGVUNJZCOIR-SWLSCSKDSA-N 303.362 -0.569 30 20 DBED C#CCCN1C[C@H](CNC(=O)c2cc(=O)c(OC)co2)[C@@H](O)C1 958262086 GQUOPWTVWVLUPS-AAEUAGOBSA-N 320.345 -0.306 30 20 DBED CS(=O)(=O)CCN1C[C@@H]2C(NC(=O)c3cc(C#N)c[nH]3)[C@H]2C1 958499679 HNYRWFJAQJTBFW-QWRGUYRKSA-N 322.390 -0.409 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2CN(CCOC)C[C@@H]2O)nc1 958592493 QWPZNUGHLKEKCJ-ZFWWWQNUSA-N 303.362 -0.268 30 20 DBED CN(C(=O)CN1CCCC1)[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 958851277 KTHMVAABRNEHCO-GJZGRUSLSA-N 319.405 -0.474 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H]2CN(C(=O)Cc3cc[nH]n3)C[C@@H]21 960879629 CPFVGCKWZMBBFC-KGYLQXTDSA-N 317.349 -0.450 30 20 DBED C#Cc1cncc(C(=O)N[C@H]2[C@@H]3CN(CC(=O)N(C)C)C[C@@H]32)c1 961711807 JPIZSRNHRXSAFK-FOLVSLTJSA-N 312.373 -0.189 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H]2CN(C(=O)c3nnn(C)n3)C[C@H]2C1 962049738 WHMGKTWFSSXFHX-PHIMTYICSA-N 318.381 -0.047 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CN(C(=O)[C@H]3CCN(C)C3=O)C[C@H]2C1 962160510 RLWFAJLBOZDRDH-RVMXOQNASA-N 318.377 -0.459 30 20 DBED Cc1ncn(C)c1C(=O)NC[C@@H]1COCCN1C(=O)[C@H](C)C#N 964231203 CJRCLJUZZOBVIX-ZYHUDNBSSA-N 319.365 -0.155 30 20 DBED N#CCNC1CC2(C1)CC(NC(=O)[C@@H]1CCS(=O)(=O)N1)C2 965926451 ZPZMATRLSVPQPN-FOBZMYGMSA-N 312.395 -0.781 30 20 DBED C=C[C@](C)(CC)C(=O)N1C[C@H](O)[C@H](NC(=O)c2cnn[nH]2)C1 968708712 KVVHDNSTDJQFTE-UHIISALHSA-N 307.354 -0.292 30 20 DBED CCc1c(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)cnn1C 968716890 AYOLTNSFNSIARX-XWIASGKRSA-N 319.365 -0.556 30 20 DBED N#Cc1ccc(CN[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)C2)cc1 969766471 NXLCEIBVKDDNHU-KGLIPLIRSA-N 313.361 -0.070 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)CC(N)=O)[C@@H]2C1 971615435 WTOKQWOCFZJJIN-LPWJVIDDSA-N 321.377 -0.488 30 20 DBED N#Cc1c[nH]c(C(=O)N2C[C@H]3CCN(C(=O)C(N)=O)C[C@H]32)c1 971718893 LGQMKTGKPWMZOW-MWLCHTKSSA-N 301.306 -0.955 30 20 DBED C#CCN(C)[C@@H]1CCN(C(=O)c2ccc(-n3cnnn3)cn2)C1 972006900 VYDZGARVGOQLPF-CYBMUJFWSA-N 311.349 -0.163 30 20 DBED O=C(Cn1cncn1)N1CC[C@@H]2CN(C(=O)C#CC3CC3)[C@@H]2C1 972087884 GPOHNVUYFNJXCJ-ZIAGYGMSSA-N 313.361 -0.249 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)Cc3cncnc3)C2)C1 972362785 UEQQYXLODCHTKC-INIZCTEOSA-N 300.362 -0.044 30 20 DBED Cn1nncc1C(=O)N[C@H]1C[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 973182965 KIOJDPDESQRKOU-MGCOHNPYSA-N 313.321 -0.294 30 20 DBED C#CCN1C[C@H]2[C@H](CNC(=O)c3c(C)c[nH]c3CC(N)=O)[C@H]2C1 978745385 KYTZHXBUPDFGNW-XYYAHUGASA-N 314.389 -0.108 30 20 DBED CN1C[C@@H](C(=O)NC[C@H]2CCN(C(=O)C#CC3CC3)C2)CC1=O 982743143 VUWQZRZKJQALOG-KGLIPLIRSA-N 317.389 -0.157 30 20 DBED C[C@@H]1[C@H](NCc2nc(=O)n(C)[nH]2)CCN1C(=O)C#CC1CC1 986284185 ZZCUWEGOXSKLQM-ZYHUDNBSSA-N 303.366 -0.399 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CCN(C(=O)C3CC3)C[C@@H]2O)c1 991377675 CUFZFDYZMZMIEE-YPMHNXCESA-N 302.334 -0.012 30 20 DBED N#CCN1CC[C@]2(NC(=O)c3nnc(O)nc3O)CCC[C@H]12 991627514 SYTXVWLEHAVFEU-ISVAXAHUSA-N 304.310 -0.467 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@@H](NC(=O)Cn2cncn2)[C@H](O)C1 991803888 MDDPDBDXPPACSX-VXGBXAGGSA-N 321.381 -0.432 30 20 DBED N#CCN1CC[C@]2(NC(=O)C[C@@H]3CC(=O)NC3=O)CCC[C@H]12 992547932 PEPXFHCSZJUOHY-ZIBATOQPSA-N 304.350 -0.324 30 20 DBED N#Cc1cc(C(=O)NCC2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c[nH]1 1001507140 NXHJZDVVBZWHAF-VXGBXAGGSA-N 317.305 -0.260 30 20 DBED C[C@@H](C#N)C(=O)N1CC([C@@H](C)NC(=O)c2cc(=O)n(C)cn2)C1 1006315417 ONBCZADVHGFTIE-VHSXEESVSA-N 317.349 -0.483 30 20 DBED O=C(NCC1[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]12)c1cnon1 1009419798 YTBCYSUFCMNJJC-RYUDHWBXSA-N 300.318 -0.083 30 20 DBED C[C@@H]1C[C@@H](NC(=O)c2c[nH]c(=O)cn2)CN1C(=O)C#CC1CC1 1012590905 MVNHQRBRQBAFEY-ZYHUDNBSSA-N 314.345 -0.098 30 20 DBED C#CCCN1C[C@@H]2CC[C@H](C1)N2C(=O)CC[C@@H]1NC(=O)NC1=O 1018245145 ADLDCWINWKTYFR-XQQFMLRXSA-N 318.377 -0.327 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCN(C(=O)[C@@H]3CCNC3=O)C2)C1 1019365244 WXKDCUBXJQMTGH-WDEREUQCSA-N 304.350 -0.657 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H]2C[C@H](NCCN3CCNC3=O)C2)c1 1020058794 ZCOIHZDTJJLXEY-HAQNSBGRSA-N 316.365 -0.238 30 20 DBED C#CCN[C@H]1C[C@H](NC(=O)c2cn(C[C@H]3CCOC3)nn2)C1 1020841461 JXGCAIITDUDDRG-JHJVBQTASA-N 303.366 -0.202 30 20 DBED C=CCCN1CCC[C@@H](CNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 1023621300 KLVUBOWVQGLOIL-RYUDHWBXSA-N 308.382 -0.011 30 20 DBED O=C(Cc1ccco1)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1025249693 RHUVADQTRLPRJZ-ZIAGYGMSSA-N 302.330 -0.077 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](CNCc2nnc3n2CCOC3)C1 1026732378 IUOPFYTWCIQKFH-NEPJUHHUSA-N 318.381 -0.094 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCN([C@H]2CCN(C)C2=O)C1 1032837157 RTNMJWIBNFUKFA-ILXRZTDVSA-N 318.421 -0.495 30 20 DBED C#CCCN1CCCC[C@@H](NC(=O)Cn2ccc(O)nc2=O)C1 1034294453 XEEFIWZBZDSACI-CYBMUJFWSA-N 318.377 -0.057 30 20 DBED C#CCCN1CCO[C@H](CNC(=O)[C@H]2CCCCN2C(N)=O)C1 1035570833 CYAZUKWSCWXPFW-ZIAGYGMSSA-N 322.409 -0.240 30 20 DBED C#CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)c1ccc(=O)n(CCOC)c1 1037487276 KPNMXEHFFYFHQF-YCPHGPKFSA-N 315.373 -0.070 30 20 DBED C#CCCCC(=O)NC[C@]1(O)CCN(C(=O)Cn2nccn2)C1 1039573106 FRFBVOOLHKYPSY-OAHLLOKOSA-N 319.365 -0.839 30 20 DBED C=CCOCC(=O)N1CC[C@@](O)(CNC(=O)c2cc[nH]c2)C1 1040082543 ROFYKEYCQTWDPE-OAHLLOKOSA-N 307.350 -0.090 30 20 DBED C#CCCCC(=O)N1CC[C@](O)(CNC(=O)c2[nH]nnc2C)C1 1040467148 NIZPDHNHVHKGEY-HNNXBMFYSA-N 319.365 -0.390 30 20 DBED C=C(C)C(C)(C)C(=O)NC[C@]1(O)CCN(C(=O)CC(N)=O)C1 1040473650 UDWZAYVUHNLMFQ-OAHLLOKOSA-N 311.382 -0.456 30 20 DBED C[C@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)c2ccns2)C1 1040758988 CUDRJLICEAWDDA-RNCFNFMXSA-N 308.363 -0.004 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)CC(F)(F)F)C1 1041831454 QHYLUFGMAXRCNY-VIFPVBQESA-N 322.283 -0.333 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(O)(CNC(=O)C[C@H](C)OC)C1 1041938687 WIDDFQFKLIVPAV-FZMZJTMJSA-N 314.382 -0.572 30 20 DBED C#CCCCCC(=O)NCC1(O)CN(C(=O)c2cncn2C)C1 1042664009 LGTDYSWOUFIRLO-UHFFFAOYSA-N 318.377 -0.083 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)c2ccon2)C1 1043036819 ROPMJNUPXKWKRP-SNVBAGLBSA-N 307.306 -0.984 30 20 DBED CC#CCN1CC(N(C)C(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 1043501545 GKNMEDAQIWYZLJ-UHFFFAOYSA-N 314.353 -0.527 30 20 DBED C=CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)[C@H]2CC2(F)F)C1 1043569836 DFAGMULWBLBZMN-VHSXEESVSA-N 318.320 -0.078 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)C2CCC2)C1 1043649625 PYINCDANFWZKKU-AWEZNQCLSA-N 319.405 -0.426 30 20 DBED Cc1ccc(C#N)c(N2C[C@H](O)[C@H](NC(=O)[C@H]3CCOC3)C2)n1 1043868728 YRXMWYKRTLEVCZ-MJBXVCDLSA-N 316.361 -0.036 30 20 DBED Cn1ncc(C(=O)N[C@@H]2CN(c3ncccc3C#N)C[C@@H]2O)n1 1044055086 GYVQWJVZDCOFEW-NEPJUHHUSA-N 313.321 -0.939 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)Cc3cnc[nH]3)C2)nc1 1044604772 OOZXQYOVDVPGOP-OLZOCXBDSA-N 312.333 -0.415 30 20 DBED Cn1nnc(CN2CC[C@@](C)(NC(=O)c3ccc(C#N)[nH]3)C2)n1 1046251780 TZVMBLHYUUODJI-CQSZACIVSA-N 314.353 -0.196 30 20 DBED CC(C)C#CC(=O)N1C[C@H]2C[C@H](NC(=O)CNC(N)=O)C[C@H]1C2 1047304402 YTDPATYGHBODQC-RWMBFGLXSA-N 320.393 -0.190 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CN3CCC2CC3)C1 1047384359 YFXRUHYVNCNCFR-JYJNAYRXSA-N 305.422 -0.145 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)C1 1047401985 JLXZMBYNZCJJHR-IHRRRGAJSA-N 321.421 -0.230 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)[C@@H]1CCn2ccnc2C1 1050989494 QMLPWMMWFCCRSP-ZIAGYGMSSA-N 302.378 -0.104 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)c1c[nH]nc1[C@H]1CCOC1 1051046829 VIRJEGOLCIGEAN-STQMWFEESA-N 318.377 -0.023 30 20 DBED C#CCCN1CCOC[C@@H]1CNC(=O)[C@@H]1CCc2nncn2C1 1051254053 DHMXDGYYADNKKJ-KGLIPLIRSA-N 317.393 -0.319 30 20 DBED C#Cc1ccc(C(=O)N2C[C@H](CNC(=O)C(N)=O)[C@@H](C)C2)nc1 1053089201 HFXKYKWQFCSTEB-JQWIXIFHSA-N 314.345 -0.628 30 20 DBED C=CCN1CC2(CC[C@H](CNC(=O)c3ccc(=O)n(C)n3)O2)C1 1053696421 IIVIHHYSYKTFLN-GFCCVEGCSA-N 318.377 -0.071 30 20 DBED N#CCN1CC[C@@]2(CCCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C2)C1 1054206620 KJPOUKWGSOJACT-NHYWBVRUSA-N 319.365 -0.577 30 20 DBED N#Cc1cnc(NC[C@]23CCC[C@H]2CN(C(=O)C(N)=O)C3)cn1 1055681388 OGNIVOZCLJZCMY-BONVTDFDSA-N 314.349 -0.126 30 20 DBED Cc1cc(C#N)nc(N2CCN(C(=O)c3cn(C)nn3)CC2)n1 1055786295 DFZHHRHHZPMHQQ-UHFFFAOYSA-N 312.337 -0.252 30 20 DBED Cc1c(C(=O)NC2[C@H]3CN(c4ccc(C#N)nn4)C[C@H]23)nnn1C 1056176237 LADOYQPEWOXMFS-QWRGUYRKSA-N 324.348 -0.350 30 20 DBED Cn1cc(C(=O)NC2[C@@H]3CN(c4cnc(C#N)cn4)C[C@@H]23)nn1 1056198071 JESQFDMZTBEORL-NXEZZACHSA-N 310.321 -0.659 30 20 DBED N#Cc1ccc(N2C[C@H]3C(NC(=O)Cn4ncnn4)[C@@H]3C2)cn1 1056310395 SEKKSGUTXBKIMD-VXGBXAGGSA-N 310.321 -0.809 30 20 DBED N#Cc1ccc(N2C[C@@H]3C(NC(=O)c4cnnc(O)c4)[C@H]3C2)nn1 1056333566 MYZAIJYVMQZEKB-QWRGUYRKSA-N 323.316 -0.292 30 20 DBED CN(c1ccc(C#N)nn1)[C@H]1CCN(C(=O)Cn2ncnn2)C1 1056967471 BJQNQVYDQDUZJK-NSHDSACASA-N 313.325 -0.928 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)c1cc(C)ncn1 1057360126 VBJLTLXNFVKNCF-UHFFFAOYSA-N 322.365 -0.462 30 20 DBED C=C(C)C[C@H](C)C(=O)NCCN(CCO)C(=O)c1cnnn1C 1057474641 RPYXMJGISZYWHE-LBPRGKRZSA-N 323.397 -0.032 30 20 DBED C=C[C@](C)(CC)C(=O)NCCN(CCO)C(=O)c1ncn(C)n1 1057497833 DTIFYLSRXWCLSH-OAHLLOKOSA-N 323.397 -0.032 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)c1cnns1 1057516921 COVHTIPMPUJAAD-UHFFFAOYSA-N 310.379 -0.252 30 20 DBED C#CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)[C@H]1CCCO1 1057582987 DNAZPWOPQWPBRK-QWHCGFSZSA-N 312.366 -0.859 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)CCS(C)(=O)=O 1058042553 FQXPITIRFSACMJ-UHFFFAOYSA-N 320.411 -0.676 30 20 DBED C#CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)c1ncccn1 1058522872 ZSGUTKHTDKIDDF-LBPRGKRZSA-N 320.349 -0.934 30 20 DBED C=CCC1(C(=O)NCCN(CCO)C(=O)C(N)=O)CCCC1 1058648230 UDYVWXDYGRGUTQ-UHFFFAOYSA-N 311.382 -0.455 30 20 DBED CN1CC[C@H](C(=O)N2CC[C@H](Nc3cnc(C#N)cn3)C2)C1=O 1059031867 LNVXYDJLAUURNF-JQWIXIFHSA-N 314.349 -0.161 30 20 DBED N#Cc1nccc(N2CCC[C@@H]2CNC(=O)[C@@H]2CCC(=O)N2)n1 1061380543 YDPSCLPLYXSROJ-MNOVXSKESA-N 314.349 -0.288 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1COCCN1C(=O)[C@H]1CCC(=O)N1 1061566197 HUHOHSJDBALUTR-CHWSQXEVSA-N 321.377 -0.732 30 20 DBED O=C(C#CC1CC1)NC[C@H]1COCCN1C(=O)c1cn[nH]c1 1061569316 CLWXOPLFPLALJZ-ZDUSSCGKSA-N 302.334 -0.220 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCOC[C@@H]1CNC(=O)c1cnn[nH]1 1061696695 AUTZXXJBQMHVBW-QWRGUYRKSA-N 323.353 -0.647 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(NC(=O)[C@@H]2CCNC2=O)CCC1 1063046216 JSYVAYOIAKDTBC-NWDGAFQWSA-N 321.377 -0.684 30 20 DBED C=CCOCC(=O)NC1(CNC(=O)c2nnn(C)n2)CCC1 1064047335 OHYWTCCDVCKAOJ-UHFFFAOYSA-N 308.342 -0.819 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)C2(NC(N)=O)CC2)CCC1 1064302674 QYYWAUBRSHXZPT-SECBINFHSA-N 307.354 -0.498 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)[C@@H]2CCN(C)C2=O)CCC1 1064310523 MPJNMIORWZLICO-MNOVXSKESA-N 306.366 -0.221 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(C(=O)Cn2cccn2)CCO1 1064854860 JTIQQIABLZJQIT-CQSZACIVSA-N 316.361 -0.360 30 20 DBED C=CCOCC(=O)N1CCO[C@H](CNC(=O)[C@H](C)OCC)C1 1064976500 KFEAYZFVGMXIRJ-QWHCGFSZSA-N 314.382 -0.042 30 20 DBED CN(C(=O)c1cnco1)[C@H]1CN(c2nccnc2C#N)C[C@@H]1O 1065612848 QJBJZVUPOKCULX-QWRGUYRKSA-N 314.305 -0.342 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CCCN(C(=O)C2(C(N)=O)CC2)CC1 1066477994 FMOKARQYYXWYQF-MNOVXSKESA-N 306.366 -0.091 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)Cn2cccn2)CCOCC1 1070230642 AJKFJKJKMDVKEO-GFCCVEGCSA-N 319.365 -0.176 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)c2ccn(C)n2)CCOCC1 1070232410 JBOFZRYPPLDOGZ-NSHDSACASA-N 319.365 -0.025 30 20 DBED CC(C)[C@@H](O)C(=O)N1C[C@@H](NCC#N)[C@H](c2cn(C)cn2)C1 1070490272 GJRVQTWFTJKZSG-IACUBPJLSA-N 305.382 -0.155 30 20 DBED C#CCC1(C(=O)N2CCC[C@@H](NC(=O)CNC(N)=O)C2)CCC1 1070832985 UDVJRHKPFHZSPS-GFCCVEGCSA-N 320.393 -0.045 30 20 DBED CC(=O)NCC(=O)N1C[C@H](C)[C@@H](NC(=O)CSCC#N)C1 1071496214 QGOALSXKGJHBFN-ONGXEEELSA-N 312.395 -0.658 30 20 DBED C[C@H]1CN(C(=O)CNC(N)=O)C[C@@H]1NC(=O)C#CC(C)(C)C 1071573657 HEWXIYJUUWFDRU-QWRGUYRKSA-N 308.382 -0.333 30 20 DBED C=CCOCC(=O)N[C@H]1CN(C(=O)CCn2ccnn2)C[C@@H]1C 1071977801 FTNWATLZJBZPHQ-STQMWFEESA-N 321.381 -0.166 30 20 DBED C[C@H]1CN(C(=O)C#CC(C)(C)C)C[C@@H]1NC(=O)c1nnn(C)n1 1072064065 SNFILVJFIZVVKS-QWRGUYRKSA-N 318.381 -0.164 30 20 DBED CNC(=O)CN1CCCO[C@@H](CNC(=O)c2ccc(C#N)[nH]2)C1 1073574074 IVSGMORGDSHGFJ-LBPRGKRZSA-N 319.365 -0.547 30 20 DBED C#CCOCCC(=O)N1CC[C@H](NC(=O)c2nc[nH]n2)[C@@H](C)C1 1074107885 XGYANJFDNNAAPA-RYUDHWBXSA-N 319.365 -0.189 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)CN3CCOCC3)C[C@H]21 1074219195 MAAQZDIRUYDBMP-CABCVRRESA-N 307.394 -0.747 30 20 DBED C#CCCCC(=O)N1C[C@H]2CCN(C(=O)C(N)=O)CC[C@H]2C1 1074359652 ARSPBHSBIKJDSC-BETUJISGSA-N 305.378 -0.028 30 20 DBED C=CCOCC(=O)NCC[C@H](C)NC(=O)[C@H]1COCCO1 1075916819 RXNYGNJHVCHANX-NWDGAFQWSA-N 300.355 -0.385 30 20 DBED C=CCOCC(=O)NCC[C@H](C)NC(=O)c1cn(C)c(=O)n1C 1075921274 OUMFQGYUWYJNEL-NSHDSACASA-N 324.381 -0.449 30 20 DBED C[C@@H](CCNC(=O)c1ccc(C#N)[nH]1)NC(=O)[C@H](C)NC(N)=O 1076177401 AEEMYBDGGKVNJT-IUCAKERBSA-N 320.353 -0.432 30 20 DBED C[C@@H](CCNC(=O)CN1C(=O)CCC1=O)NC(=O)[C@@H](C)C#N 1076455010 SIDDIMSONKLDHV-UWVGGRQHSA-N 308.338 -0.694 30 20 DBED C[C@@H](CCNC(=O)CC(=O)N(C)C)NC(=O)c1cc(C#N)c[nH]1 1076568275 BEEKQCRWISWGBZ-JTQLQIEISA-N 319.365 -0.011 30 20 DBED C#CCOCCC(=O)N[C@@H](C)CCNC(=O)c1cnc(O)n1C 1077736490 UNMJXRUGMINJSG-NSHDSACASA-N 322.365 -0.210 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2cccc3nsnc23)C1 1077921682 JBAYUGXUEKOIRI-GHMZBOCLSA-N 303.347 -0.010 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2cc3c(nc2O)CCOC3)C1 1077981495 QBWYGZCGQICPMW-CHWSQXEVSA-N 318.333 -0.842 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)c2cccnc2N(C)C)C1 1078173167 KLHADNGPIBUYMT-ZIAGYGMSSA-N 302.378 -0.054 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(CC)C1CN(C(=O)CNC(N)=O)C1 1080575616 DRKTVGRSGVFMHI-NEPJUHHUSA-N 324.381 -0.695 30 20 DBED C=C[C@H](CC)CC(=O)NC1(CO)CCN(C(=O)C(N)=O)CC1 1080956621 ZASFJULTPLQHQG-LLVKDONJSA-N 311.382 -0.456 30 20 DBED C#CCOCCC(=O)N1C[C@H](CNC(=O)/C=C\C2CC2)[C@@H](O)C1 1081382969 QQWKNSFVKSXWCE-LUNKNMTDSA-N 320.389 -0.072 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2n[nH]c(C)c2O)C1 1081413370 GMIBCOIKBNREID-WDEREUQCSA-N 322.365 -0.061 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)c2nonc2C)C[C@@H]1O 1081445147 RLHNPDNPTJJKTK-NEPJUHHUSA-N 320.349 -0.269 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@H](CNC(=O)Cc2nc[nH]n2)C1 1081791584 UDDCCDMWCGDISR-NEPJUHHUSA-N 319.365 -0.914 30 20 DBED C#CCN1C[C@@H](NC(=O)c2cnn3c2OCCC3)[C@H](OC)C1 1081896999 BMYHXFUYVQYNTR-CHWSQXEVSA-N 304.350 -0.272 30 20 DBED CC#CCN1C[C@@H](NC(=O)c2cc(OC)n(C)n2)[C@H](OC)C1 1081927248 JVSXXNVJIQZION-CHWSQXEVSA-N 306.366 -0.119 30 20 DBED C#CCCN1C[C@@H](NC(=O)[C@H]2CCN(C(C)=O)C2)[C@H](OC)C1 1082347850 WNLZDTDWLWFMNF-RRFJBIMHSA-N 307.394 -0.307 30 20 DBED CCCn1nc(C(=O)N[C@@H]2CN(CC#N)C[C@H]2OC)ccc1=O 1082365717 RHYUAZNBMFKDMT-CHWSQXEVSA-N 319.365 -0.394 30 20 DBED Cn1cncc1[C@@H]1C[C@H]1C(=O)N1CCO[C@@H]2CN(CC#N)C[C@@H]21 1083198178 GYLORNGWCXRGPQ-RJZRQDKASA-N 315.377 -0.041 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2cc(C(F)(F)F)ncn2)C1 1083636672 HRSYCNXIZXQPQN-ZJUUUORDSA-N 314.267 -0.097 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)c2cccc(C(N)=O)n2)C1 1084101637 UZSLDSXAPWVEBH-OLZOCXBDSA-N 304.350 -0.469 30 20 DBED C=CCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCS(=O)(=O)N1 1085976719 DTSXKOCWXJMKSU-VXGBXAGGSA-N 301.412 -0.213 30 20 DBED CNC(=O)NCC(=O)N[C@@H](C)C[C@H](C)N=c1cc[nH]c(C#N)n1 1089499215 LOBYNLWAEQVQHA-UWVGGRQHSA-N 319.369 -0.606 30 20 DBED CC(=O)N(C)CC(=O)N1CC[C@H](N=c2cc[nH]c(C#N)n2)[C@@H]1C 1090196933 UZKYDDJPRPSHAB-JQWIXIFHSA-N 316.365 -0.350 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2cccn3nnnc23)[C@@H](O)C1 1090295170 LWQBPVQVAQESMC-OLZOCXBDSA-N 314.349 -0.687 30 20 DBED CC#CCN1CC[C@H](NC(=O)CN2CCCCC2=O)[C@H](O)C1 1090383767 CKUHDDPVLSXMIP-UONOGXRCSA-N 307.394 -0.426 30 20 DBED CC(=O)NCc1ccc(C(=O)N[C@H]2CCN(CC#N)C[C@@H]2O)o1 1090646772 LPKMGSWQPFPHEJ-STQMWFEESA-N 320.349 -0.396 30 20 DBED C=CCCN1CC[C@H](NC(=O)c2cc(C(N)=O)ccn2)[C@H](O)C1 1090859494 WXNGLJCAOIVJTG-GXTWGEPZSA-N 318.377 -0.078 30 20 DBED CCCCOCC(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1091078177 WFRXXZKYASEEND-OLZOCXBDSA-N 319.365 -0.169 30 20 DBED CN(C)CCC(=O)N[C@H]1CCN(c2ccc(C#N)cn2)C[C@@H]1O 1092175268 ZMHRBPNBQLZXAY-KBPBESRZSA-N 317.393 -0.039 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCN(c2ccc3nnnn3n2)CC1 1093161320 URIOXKGDLMBNKV-NSHDSACASA-N 317.353 -0.241 30 20 DBED N#Cc1cnc(N2CCN(C(=O)C(=O)NCC(F)F)CC2)cn1 1093185221 DYSIEFZUHDDEQZ-UHFFFAOYSA-N 324.291 -0.622 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1[C@@H]2CN(c3cnc(C#N)cn3)C[C@@H]21 1093265262 BQYLGCXRWDFIFS-ATCWAGBWSA-N 324.344 -0.961 30 20 DBED N#Cc1cnc(NCCNC(=O)c2nccnc2C(N)=O)cn1 1093625071 GEHRFUKXWHQORA-UHFFFAOYSA-N 312.293 -0.921 30 20 DBED N#Cc1nccnc1NCCNC(=O)[C@H]1CCS(=O)(=O)C1 1093976722 APZUZKXJWRHLLS-VIFPVBQESA-N 309.351 -0.689 30 20 DBED C#CCN1CC(n2cc(CNC(=O)c3csnn3)nn2)C1 1094308297 NXXUFXJMUKGGRI-UHFFFAOYSA-N 303.351 -0.451 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)CN3CC[C@@H](C)C3)CC2=O)C1 1094787179 NJUSCXNSBXCNGC-ZIAGYGMSSA-N 318.421 -0.637 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)C[C@H]3CCCOC3)CC2=O)C1 1094818196 YRTFDTXTXKNGMN-ZIAGYGMSSA-N 319.405 -0.162 30 20 DBED CN(c1ccncc1C#N)[C@H]1CCN(C(=O)CNC(N)=O)C1 1095091929 WRRPJGMPXSYTDZ-NSHDSACASA-N 302.338 -0.341 30 20 DBED CNC(=O)CC(=O)N1CC[C@@H](N(C)c2nc(C)cc(C#N)n2)C1 1095113885 WHFRGBBXZJDKDI-GFCCVEGCSA-N 316.365 -0.170 30 20 DBED CCC(=O)N[C@@H](C)C(=O)N[C@@H]1CCN(c2ccc(C#N)nn2)C1 1096493870 CTHCGHPBUSTQJQ-CMPLNLGQSA-N 316.365 -0.042 30 20 DBED C[C@@H](C(=O)N[C@H]1CCN(c2cnc(C#N)cn2)C1)S(C)(=O)=O 1096502548 QTUCUKNXUHCOKM-UWVGGRQHSA-N 323.378 -0.524 30 20 DBED CC(=O)N[C@H](C)C(=O)NC[C@@H](N=c1cc[nH]c(C#N)n1)C1CC1 1096569747 QICCPOBRGLNNCP-BXKDBHETSA-N 316.365 -0.399 30 20 DBED C[C@@H](CNC(=O)CCn1cncn1)Nc1cncc(C#N)n1 1097655834 WVZYGTJXENFFKO-JTQLQIEISA-N 300.326 -0.053 30 20 DBED C=CCCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H]1CC(=O)NC(=O)N1 1097944733 KZOVBUHMAFISTJ-WYUUTHIRSA-N 306.366 -0.118 30 20 DBED Cc1cc(=N[C@@H](C)CNC(=O)[C@H]2CNC(=O)N2)c(C#N)c[nH]1 1098251710 YMGAOBSATIVMOC-JOYOIKCWSA-N 302.338 -0.718 30 20 DBED CC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1C(=O)CN(C)C1=O 1098347217 MUZQMYNCGFOSLW-UPJWGTAASA-N 318.377 -0.375 30 20 DBED C#CCN(CCO)C1CCN(C(=O)[C@@H]2CC[C@H]2C(N)=O)CC1 1098447303 GONVMORJTZOAOE-ZIAGYGMSSA-N 307.394 -0.584 30 20 DBED N#CCN(CCO)C1CCN(C(=O)c2ccc(C(N)=O)[nH]2)CC1 1098480062 ODMVKEQWAAOLEA-UHFFFAOYSA-N 319.365 -0.464 30 20 DBED C#CCN(CCO)C1CCN(C(=O)C[C@@H]2CCC(=O)N2)CC1 1098498306 NCNLHODNLNDDCZ-ZDUSSCGKSA-N 307.394 -0.426 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCN(CCC(C)C)C[C@H]1O 1099789254 LYNMWIAWDICCSE-ZIAGYGMSSA-N 309.410 -0.277 30 20 DBED C#CCCCC(=O)N[C@H]1CCN(CCn2cncn2)C[C@@H]1O 1099803928 FSGFJDXCZPYIQY-KBPBESRZSA-N 305.382 -0.367 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)c2n[nH]cc2C)[C@@H](O)C1 1099813830 VISPJENKBOXUIX-NEPJUHHUSA-N 321.381 -0.815 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CN(C)C(=O)C(C)C)[C@@H](O)C1 1099860425 BNAZVVRXEVPWOF-KGLIPLIRSA-N 309.410 -0.325 30 20 DBED C=CCN1CC[C@@H](NC(=O)CCCS(C)(=O)=O)[C@@H](O)C1 1100031516 GPYAHGKTRQKHJU-NEPJUHHUSA-N 304.412 -0.451 30 20 DBED C=C(Cl)CN1CC[C@@H](NC(=O)CCn2cnnn2)[C@@H](O)C1 1100045838 FCWQYVYIIIYNBW-MNOVXSKESA-N 314.777 -0.633 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2cnn(CCCOC)c2)[C@H](O)C1 1100069752 MXQWWSDYFMHCCQ-HUUCEWRRSA-N 320.393 -0.282 30 20 DBED C#CCCN1CC[C@H](NC(=O)C2(C(=O)N(C)C)CC2)[C@H](O)C1 1100072442 VQBIWZKPNJUWGE-QWHCGFSZSA-N 307.394 -0.571 30 20 DBED CC(=O)N1CCC[C@@H]1C(=O)NCCN(C)c1ccc(C#N)nn1 1100155637 UGALVLPJHMHPAA-CYBMUJFWSA-N 316.365 -0.088 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)Cc2cncnc2)C1 1100288585 GPAVCGFWGXCYTE-UHFFFAOYSA-N 315.377 -0.747 30 20 DBED CN(CCNC(=O)CCc1cnn[nH]1)c1cnc(C#N)cn1 1100334803 UUZIGZHWQIAQGM-UHFFFAOYSA-N 300.326 -0.348 30 20 DBED CN1C[C@@H](C(=O)NCCN(C)c2nccnc2C#N)CC1=O 1100384072 XYJBCAGVUHMVAF-JTQLQIEISA-N 302.338 -0.621 30 20 DBED Cn1cncc1C(=O)NCC1CC(NCC(=O)NCC#N)C1 1100481891 UQSTXXCUIASWSO-UHFFFAOYSA-N 304.354 -0.842 30 20 DBED CNC(=O)NCC(=O)NC[C@@H]1CCN(c2ccncc2C#N)C1 1101065671 BENRRRGEYYLTAM-NSHDSACASA-N 316.365 -0.175 30 20 DBED CN(CCN=c1cc[nH]cc1C#N)C(=O)[C@H]1CCNC(=O)C1 1101548506 STRYSJPRYBGOMA-NSHDSACASA-N 301.350 -0.228 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN([C@H]2CCC(=O)NC2=O)C[C@H]1C 1101818571 WATVPFBKKRREFQ-UPJWGTAASA-N 323.393 -0.322 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)c2[nH]cnc2C)C1 1102618662 ADZBRLNZNDCQTD-DGCLKSJQSA-N 317.393 -0.235 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)C1(C(N)=O)CC1 1104191804 KVIVWTKNNFBZLJ-SECBINFHSA-N 302.338 -0.800 30 20 DBED CO[C@H](C)C(=O)NC[C@H]1CN(c2cnc(C#N)cn2)CCO1 1104292990 LFEKALRZGOIWIV-PWSUYJOCSA-N 305.338 -0.295 30 20 DBED CO[C@@H](C)C(=O)NC[C@@H]1CN(c2cncc(C#N)n2)CCO1 1104295338 VARABHQMXVKNRX-CMPLNLGQSA-N 305.338 -0.295 30 20 DBED C[C@@H](CNc1ccc(C#N)nn1)N(C)C(=O)[C@H]1COCCN1C 1104527072 KYEQQXHPSBLMPZ-WCQYABFASA-N 318.381 -0.062 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)[C@@H]1CCNC1=O 1104764104 OMDIYDYNKLTEND-NXEZZACHSA-N 302.338 -0.835 30 20 DBED C#CCNCc1cn(C2CN(C(=O)c3nccnc3N)C2)nn1 1105194634 BQLXNQNVALWPTJ-UHFFFAOYSA-N 312.337 -0.930 30 20 DBED C=CCCNCc1cn(C2CN(C(=O)c3nnn(C)n3)C2)nn1 1105303867 UWKZJWCSOZDAAK-UHFFFAOYSA-N 317.357 -0.836 30 20 DBED CN(CCN(C)c1cncc(C#N)n1)C(=O)c1nccnc1N 1105351436 TZEGMBYBRUUACN-UHFFFAOYSA-N 312.337 -0.071 30 20 DBED CC#CCN[C@@H]1C[C@@]2(C[C@H]1O)CN(C(=O)CC(N)=O)[C@@H]2C(C)C 1105610941 ODKNSDOTCIEOFT-BQGCOEIASA-N 321.421 -0.149 30 20 DBED C[C@@H](CC(=O)N1CCC(OC2CN(CC#N)C2)CC1)NC(N)=O 1105707034 KBLHYIXJOQVXTJ-NSHDSACASA-N 323.397 -0.351 30 20 DBED N#Cc1cnc(NC[C@H](O)CNC(=O)Cn2cccn2)c(F)c1 1105722457 ONHQHOUBRKIGPW-LLVKDONJSA-N 318.312 -0.122 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](O)CNC(=O)[C@@H]2CCCOC2)n1 1105743222 YIXBTKQJBTYDMP-YPMHNXCESA-N 319.365 -0.028 30 20 DBED Cc1ccc(C#N)c(NC[C@@H](O)CNC(=O)Cn2nccn2)n1 1105986192 WESXWOLDWCRLKL-LBPRGKRZSA-N 315.337 -0.558 30 20 DBED C#Cc1cncc(C(=O)NC[C@@H](O)CNc2ccc(C#N)nn2)c1 1106100471 PVMZTJBARSOUBB-AWEZNQCLSA-N 322.328 -0.073 30 20 DBED C[C@@H]1OCCO[C@@H]1C(=O)NC[C@H](O)CNc1cnc(C#N)cn1 1106162103 VOFQSJFUGREHHR-NDMJEZRESA-N 321.337 -0.959 30 20 DBED C[C@H](CCNc1cnc(C#N)cn1)NC(=O)[C@@H]1COC(=O)N1 1106314010 ULFGJGDTTDQCJS-SCZZXKLOSA-N 304.310 -0.237 30 20 DBED C[C@H](C(=O)NC/C=C/CNc1cncc(C#N)n1)S(C)(=O)=O 1107575778 FXFGZLHPZWIREO-HMDXOVGESA-N 323.378 -0.134 30 20 DBED C=CCCN1CCO[C@@](C)(CNC(=O)CN2C(=O)CNC2=O)C1 1108385714 NWRNKSPDJSHGOR-HNNXBMFYSA-N 324.381 -0.679 30 20 DBED C=C(C)CCN1CC(N2C[C@H](NC(=O)CNC(N)=O)CC2=O)C1 1108502360 MFUKPVLXTCWEIO-LLVKDONJSA-N 323.397 -0.978 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)C(=O)NCC3CC3)CC2=O)C1 1108582582 AJLAUVUQPWBVER-GFCCVEGCSA-N 320.393 -0.900 30 20 DBED C=CCNC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CNC(N)=O 1108906404 GPTMSPRNNPIHSR-WYUUTHIRSA-N 323.397 -0.933 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CC(C)(C)O 1109217796 XACKPBQBRQWTBU-AGIUHOORSA-N 307.394 -0.382 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCN1C(=O)CCC1=O 1109499451 ZBMRZZHQWVGZHB-AGIUHOORSA-N 303.362 -0.120 30 20 DBED C[C@@H](CC(N)=O)C(=O)N(C)CCCN=c1cc[nH]c(C#N)n1 1109580379 RPEGYIZBDCEYDH-JTQLQIEISA-N 304.354 -0.458 30 20 DBED N#Cc1cncc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)CCn2ccnn2)n1 1109697166 FVNZNEPBTVHCQA-IFUGULHKSA-N 324.348 -0.277 30 20 DBED N#Cc1ccc(NC2(CNC(=O)[C@@H]3CCNC3=O)CC2)nn1 1110301168 CKRWICURDJBFHH-SNVBAGLBSA-N 300.322 -0.455 30 20 DBED Cc1nc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCC#N)co1 1110478202 UXTGLPSUZNEAPN-WZRBSPASSA-N 317.349 -0.042 30 20 DBED C=C(C)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C[C@H](NC(C)=O)C(N)=O 1111105785 NZPRLLUVQCLHGE-MQYQWHSLSA-N 322.409 -0.336 30 20 DBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CC(=O)N(C)C 1111112158 BDMOIGWDWQKNJT-UPJWGTAASA-N 322.409 -0.512 30 20 DBED CNC(=O)CC(=O)N1C[C@@H](C)[C@@H](CN=c2cc[nH]c(C#N)n2)C1 1111240799 ITBNGLUJSRANSI-MNOVXSKESA-N 316.365 -0.587 30 20 DBED CNC(=O)CC(=O)N1C[C@H](C)[C@H](CNc2nccnc2C#N)C1 1111243061 AKDBBKQFSLKXPP-WDEREUQCSA-N 316.365 -0.009 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)OC)C1 1111627216 JEYALOWPQBTROX-XEZPLFJOSA-N 307.394 -0.259 30 20 DBED CNC(=O)CC(=O)NC[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1O 1112709146 FWKVTEKDBXMDII-ZWNOBZJWSA-N 317.349 -0.997 30 20 DBED Cc1nccc(C(=O)N2CCN(CC(=O)NCC#N)CC2)n1 1113639162 WDSGAOZFJNGTAS-UHFFFAOYSA-N 302.338 -0.817 30 20 DBED CCn1cc(C(=O)N[C@H]2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]32)cn1 1114058176 RVTUXXXJMUOKMC-IMRBUKKESA-N 316.365 -0.797 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)C[C@H]3COC(=O)C3)[C@H]2C1 1114138709 GQIXCKYCNNDEFU-FOCJUVANSA-N 306.362 -0.364 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)CC(C)(C)COC)[C@H]2C1 1114611051 OSJIDMKNFFVGNO-STQMWFEESA-N 321.421 -0.155 30 20 DBED COCCC(C)(C)C(=O)NC1[C@H]2CN(CC(=O)NCC#N)C[C@H]12 1115055136 AXITVYUFOBPASD-RYUDHWBXSA-N 322.409 -0.265 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)C(C)(C)CCOC)[C@H]2C1 1115056337 YZAAPHDDVWXBIT-STQMWFEESA-N 321.421 -0.155 30 20 DBED CNC(=O)CC(=O)NCCOCCN(C)c1nccnc1C#N 1115195784 JAJMQYKSSGVZDG-UHFFFAOYSA-N 320.353 -0.947 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)COCCC=C)[C@H]2C1 1115330216 IUHWHZRIZDMOAC-TTZDDIAXSA-N 319.405 -0.237 30 20 DBED CCS(=O)(=O)c1cccc(CC(=O)NCC(=O)NCC#N)c1 1117509305 NIPIMVBGRKWDFY-UHFFFAOYSA-N 323.374 -0.221 30 20 DBED C=CCn1cc(CNC(=O)NCCCS(C)(=O)=O)nn1 1118164478 RNZZOXAMXCOSLO-UHFFFAOYSA-N 301.372 -0.302 30 20 DBED C=CCCOCCNC(=O)C(=O)N(C)CC(=O)N1CCCC1 1118636277 PCAIHNFOVAMPOO-UHFFFAOYSA-N 311.382 -0.224 30 20 DBED C[C@H](CN(C)C(=O)[C@H]1C[C@H]1C(N)=O)N=c1cc[nH]cc1C#N 1120705295 AOJXNGOZOMUXKN-JLLWLGSASA-N 301.350 -0.245 30 20 DBED N#CCNC(=O)CNC1CC2(C1)CC(NC(=O)c1ccon1)C2 1120707068 IVGLCLJEWJHFHQ-UHFFFAOYSA-N 317.349 -0.055 30 20 DBED C#CCCCC(=O)NC[C@H](CO)N=c1cc[nH]c(C(=O)OC)n1 1121371461 OKVVHODBDBJKAF-LLVKDONJSA-N 320.349 -0.622 30 20 DBED C#CCNC(=O)CNC1CC2(C1)CC(NC(=O)c1nc[nH]n1)C2 1121924396 YMXSUUWAISBDKW-UHFFFAOYSA-N 316.365 -0.815 30 20 DBED N#Cc1cncc(N[C@H](CO)CNC(=O)CO[C@H]2CCOC2)n1 1122070741 NQHBFAOYISRTMV-RYUDHWBXSA-N 321.337 -0.957 30 20 DBED Cc1cncn1CC(=O)NC[C@@H](CO)Nc1ccc(C#N)nn1 1122239359 NRIPUUPUARGERS-LBPRGKRZSA-N 315.337 -0.558 30 20 DBED Cc1nc(N[C@H](CO)CNC(=O)c2[nH]nnc2C)ccc1C#N 1122385438 MBYPSSJPKNMLDX-NSHDSACASA-N 315.337 -0.109 30 20 DBED Cc1ccnn1CC(=O)NC[C@H](CO)Nc1ccc(C#N)nn1 1122686377 CAQAWEBOAGBPQT-GFCCVEGCSA-N 315.337 -0.558 30 20 DBED CC(=O)NCC(=O)N1CC[C@@H](Nc2cncc(C#N)n2)[C@@H]1C 1122903447 MSXXYNDKKMYQOB-JOYOIKCWSA-N 302.338 -0.114 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)[C@@H]1CCCOC1 1124163743 LKJSZLUQMBGHTE-NEPJUHHUSA-N 319.365 -0.572 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C[C@H](O)CNc1cnc(F)cn1 1124519029 GONIMTTYKXAXHY-WDEREUQCSA-N 310.329 -0.115 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)Cc1cnoc1 1124689529 SXFDAOQIRRDCNJ-LLVKDONJSA-N 316.321 -0.768 30 20 DBED C[C@H](C#N)C(=O)N(C)C[C@H](O)CN(C)c1cnc(C#N)cn1 1124987703 CEJRBXPFWVIZJM-ZYHUDNBSSA-N 302.338 -0.237 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C[C@@H](O)CN(C)c1ncc(F)cn1 1125163171 XFKHBBYJOADQEJ-DGCLKSJQSA-N 324.356 -0.091 30 20 DBED CC(C)N(CCN(C)c1cnc(C#N)cn1)C(=O)CC(N)=O 1125450673 XHRDXFSSBFMIJW-UHFFFAOYSA-N 304.354 -0.103 30 20 DBED CCCNC(=O)NC(=O)CNCCNC(=O)C#CC(C)(C)C 1126893870 YBLZFNBMXDBLLJ-UHFFFAOYSA-N 310.398 -0.023 30 20 DBED N#CCSCC(=O)NCc1cnn2c1CN(CC(N)=O)CC2 1128213839 GYTAKPWUERCDRI-UHFFFAOYSA-N 322.394 -0.943 30 20 DBED CC#CCN1CCn2ncc(CNC(=O)Cc3nc[nH]n3)c2C1 1128543379 DCRDLOCEEIALDA-UHFFFAOYSA-N 313.365 -0.301 30 20 DBED C#CCC1(C(=O)NCCNCc2ncnn2C)CCOCC1 1129117197 WGXAXQBBGZPBJB-UHFFFAOYSA-N 305.382 -0.159 30 20 DBED C#CCN1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H](C)NC(C)=O)C1 1130342542 LSQDFBBEDQSDKS-WCQYABFASA-N 317.393 -0.027 30 20 DBED C[C@@H](C[C@H](C)NC(=O)CN1CCCS1(=O)=O)NCC#N 1134552789 GKQKZTPDBKPJIS-QWRGUYRKSA-N 302.400 -0.582 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1ccc(OCC#C)cc1 1134950040 AFRZSGPNFYQIJU-UHFFFAOYSA-N 313.357 -0.233 30 20 DBED C=CCNC(=O)[C@H](C)N1CCC2(CN(C(=O)CC(=O)NC)C2)C1 1147403765 PBJVDOCQVWGZKM-LBPRGKRZSA-N 322.409 -0.653 30 20 DBED COCC#CCN1CCC2(C1)CN(C(=O)[C@@H]1CN(C)C(=O)N1)C2 1148025373 ZZTXASWXDSMPEI-ZDUSSCGKSA-N 320.393 -0.806 30 20 DBED C=CCN1CCCO[C@@H](CNC(=O)C[C@H]2CC(=O)NC2=O)C1 1150842503 WKKGWRSEERYGBG-RYUDHWBXSA-N 309.366 -0.568 30 20 DBED C#CCNC(=O)CNCCNC(=O)COCCc1ccccc1 1153550440 YKLFCOOMVHYNJQ-UHFFFAOYSA-N 317.389 -0.299 30 20 DBED N#CCSCC(=O)NCCCNC[C@H](O)Cn1cccn1 1154819539 KSQMPVZBPPPQNI-LBPRGKRZSA-N 311.411 -0.403 30 20 DBED C#CCNC(=O)CC(=O)NCCCNC[C@@H](O)CC(F)(F)F 1156847814 HZEIHMYPUHZRAI-JTQLQIEISA-N 323.315 -0.465 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)c1cc2n(n1)CCC2 1159446348 JGQRCMMTKAORBA-LBPRGKRZSA-N 317.393 -0.323 30 20 DBED C#CCOCCC(=O)NCCC1(CNC[C@H](O)COC)CC1 1164505296 WXLZIQJUTCHUNG-AWEZNQCLSA-N 312.410 -0.090 30 20 DBED C#CCN1CCC(C(=O)NCCCNCC(=O)N2CCC2)CC1 1176926847 XNGHYONMCAMFGV-UHFFFAOYSA-N 320.437 -0.340 30 20 DBED C#CCNC[C@H]1C[C@H]2CC[C@H]1N(C(=O)CN1CC(=O)NC1=O)C2 1177914697 ZHOYEUPZSYMADU-JHJVBQTASA-N 318.377 -0.612 30 20 DBED C=CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)c2cn(C)nn2)[C@H]1C 1178610838 AHFVFQPUHKKXNC-SRVKXCTJSA-N 320.397 -0.302 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2coc(OC)n2)C1 1184628553 LYPYPADQYRAOBO-SNVBAGLBSA-N 306.322 -0.763 30 20 DBED C=CCNC[C@H]1CN(C(=O)CNC(N)=O)CC12CCOCC2 1186246107 SPIORIMYXXTIRX-LBPRGKRZSA-N 310.398 -0.315 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3cc[nH]n3)[C@@H]2C1 1186931041 SCGCNZRHEQAPOV-WCQYABFASA-N 301.350 -0.695 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@H]1CCN(C(=O)c2ccnn2C)C1 1189232787 QZOPLWYKQPVDSN-STQMWFEESA-N 317.393 -0.296 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)c2cccnc2)C1 1190668438 VXHBBFMZCPRZTM-IACUBPJLSA-N 318.377 -0.453 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(Cc2cccnc2OC)C[C@H]1O 1191807995 ZYAXAUQEYCFPCA-ZIAGYGMSSA-N 321.377 -0.046 30 20 DBED C=CCCN(C)[C@H]1CCN(C(=O)[C@@H](CCC(N)=O)NC(C)=O)C1 1192888793 NLJPKKFTYKZQKK-UONOGXRCSA-N 324.425 -0.135 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)C[C@@H](C)COC)C1 1193154773 CWAFAGYYRMTEJQ-KGLIPLIRSA-N 309.410 -0.059 30 20 DBED C#CCNC(=O)CC(=O)N1CCCN(Cc2n[nH]c(C)n2)CC1 1195588675 QNVFLSTUEPNHGY-UHFFFAOYSA-N 318.381 -0.713 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)[C@H]2CCCN2C)CC1 1199788424 PWFRCJVYTUCJAY-CQSZACIVSA-N 306.410 -0.589 30 20 DBED C#CCNC(=O)CC(=O)N1CCC(NC[C@H]2CCOC2)CC1 1200179429 UXLALLSGPLHECJ-CYBMUJFWSA-N 307.394 -0.257 30 20 DBED N#Cc1cc(C(=O)N2CCCO[C@@H](CNCC(N)=O)C2)c[nH]1 1200298426 GDVBYFJSQJECMG-LBPRGKRZSA-N 305.338 -0.808 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)CC(=O)NCC#C)CCCO1 1200321881 LENYLGQCAVQEGM-CQSZACIVSA-N 305.378 -0.644 30 20 DBED CC#CCNC[C@H]1CN(C(=O)C[C@@H](C)NC(N)=O)CCCO1 1200509171 FKPSJQYNKVMRJP-OLZOCXBDSA-N 310.398 -0.336 30 20 DBED C#CCNC[C@H]1CN(C(=O)CNC(=O)C2CCC2)CCCO1 1202146800 AJVXGIQCRUFGJC-AWEZNQCLSA-N 307.394 -0.257 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)CN(C)CCC)CC1 1206890609 ZUZOPSGYVOZKLM-UHFFFAOYSA-N 322.453 -0.094 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2nc(O)n[nH]2)C[C@H]1C 1206964046 VBRGSHGCVGZXBB-OUAUKWLOSA-N 307.354 -0.515 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)[C@@H](C)NC(=O)CC)[C@H](C)C1 1207078118 IHXBVMWLVBJIIA-JHJVBQTASA-N 322.409 -0.913 30 20 DBED COCC#CCN1C[C@@H](NC(=O)CCS(C)(=O)=O)[C@H](C)C1 1207727741 ICKQMOWPBWMROY-CHWSQXEVSA-N 316.423 -0.493 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@H](NCc2nncs2)C1 1207872433 PLZKTWBRSFILPX-NSHDSACASA-N 321.406 -0.242 30 20 DBED CN(C)CCCC(=O)N1CCC[C@@H](NCC(=O)NCC#N)C1 1209314456 IZWWKCPYTNAIRB-CYBMUJFWSA-N 309.414 -0.451 30 20 DBED CN1CCC(C(=O)N2CCC[C@@H](NCC(=O)NCC#N)C2)CC1 1209408775 XWXLHEBPVFTMHK-CQSZACIVSA-N 321.425 -0.451 30 20 DBED C#CCCN[C@@H]1CCCN(C(=O)CN2CCC(=O)NC2=O)C1 1210522301 JJMBVRFIBVUWNH-GFCCVEGCSA-N 306.366 -0.468 30 20 DBED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)[C@@H]1[C@H]2CCC[C@H]21 1212081553 ORGBDPKAHPJTRN-OKWIKPQFSA-N 320.393 -0.512 30 20 DBED C=CCOCCN1C[C@@H](NC(=O)CCCC(N)=O)[C@H](OC)C1 1213983427 HTEYXNZBLGZOJU-CHWSQXEVSA-N 313.398 -0.340 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C[C@H](C)C(C)C)C1 1219351658 FPLDEGLESFWQMI-MJBXVCDLSA-N 309.410 -0.421 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)c2nn(C)cc2C)C1 1219588272 AJFJBQOBDSLDRV-OLZOCXBDSA-N 306.366 -0.847 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CN(Cc2nc(C3CC3)n[nH]2)C[C@@H]1O 1219591523 IRHHARKSDGOFKZ-OLZOCXBDSA-N 315.377 -0.243 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2nccs2)C[C@@H]1O 1219605303 OIKNALCYQSHSGP-UTUOFQBUSA-N 309.391 -0.157 30 20 DBED CCc1nnsc1C(=O)N[C@@H]1CN(CC#CCOC)C[C@@H]1O 1219960825 BIUGXGAIDZYEBB-NEPJUHHUSA-N 324.406 -0.475 30 20 DBED C=CCCCC(=O)N[C@@H]1CN(CCN2C(=O)CNC2=O)C[C@@H]1O 1220247405 AKIZPTMCHHSLQN-NEPJUHHUSA-N 324.381 -0.944 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C2(C)CCCCC2)C1 1220264264 DNFSOLSLIQYXIV-KGLIPLIRSA-N 321.421 -0.133 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)c2cc(C(C)C)[nH]n2)C1 1220396285 RGXPDCVOSHJEPW-CABCVRRESA-N 320.393 -0.042 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3cc(C)no3)[C@@H]2C1 1221267311 QPTAQPRTJMAGBX-CHWSQXEVSA-N 316.361 -0.121 30 20 DBED COCC#CCN1CC[C@@H]2CN(C(=O)[C@H]3OCCO[C@H]3C)[C@@H]2C1 1221627212 HEVYVKAXUQMKJL-JJXSEGSLSA-N 322.405 -0.027 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)[C@@H]2CCC(=O)N2)CC1 1230083262 CIJAFKDYOXMXSO-LBPRGKRZSA-N 308.382 -0.852 30 20 DBED CS(=O)(=O)CC1(CC(=O)NS(=O)(=O)CCCC#N)CC1 1254184193 KYYJRHJLJNJQKK-UHFFFAOYSA-N 322.408 -0.049 30 20 DBED C#CCOCCNC(=O)C(=O)NCCN1Cc2ccccc2C1 1321839116 OJJNSPDSVNJJLU-UHFFFAOYSA-N 315.373 -0.116 30 20 DBED C#C[C@H](NC(=O)C(=O)NC[C@H]1COC(C)(C)O1)[C@H]1CCCO1 1323553984 BJFAFCHFBXBUID-SDDRHHMPSA-N 310.350 -0.449 30 20 DBED C#CCOCCNC(=O)C(=O)N1CC[C@H](CN(C)CC2CC2)C1 1323699834 YLAFQZSJTFHGGT-OAHLLOKOSA-N 321.421 -0.057 30 20 DBED CCS(=O)(=O)C[C@@H](C)NC(=O)C(=O)Nc1cccc(C#N)n1 1326354114 RMPZKCFYNWPPDL-SECBINFHSA-N 324.362 -0.169 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CC[C@H](COC)C2)nn1 1328108043 VMSICZHDCQREJU-NSHDSACASA-N 307.354 -0.425 30 20 DBED N#Cc1ccc(CNC(=O)C(=O)N2CCC(O)(CO)CC2)cc1 1328252793 MOTVGXUMCAOSIG-UHFFFAOYSA-N 317.345 -0.480 30 20 DBED C#CC1CCN(C(=O)C(=O)N2CC[C@](C)(C(=O)NC)C2)CC1 1328426337 OPJIEZYFWSCVND-INIZCTEOSA-N 305.378 -0.157 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](C)n2cccc2)CC1 1329854157 HJXBNQSBWPPTAQ-CYBMUJFWSA-N 324.406 -0.339 30 20 DBED CON(C)CCNC(=O)C(=O)Nc1cc(C)n(CCC#N)n1 1330319132 OGYKHMOTQPOOKF-UHFFFAOYSA-N 308.342 -0.347 30 20 DBED C[C@H](NC(=O)C(=O)NCCc1ccc(C#N)cc1)C(=O)N(C)C 1330522368 QOCKXZXXZAQBMO-NSHDSACASA-N 316.361 -0.190 30 20 DBED C=C(C)COCCNC(=O)C(=O)N[C@@H]1CCN(C(C)C)C1=O 1342136603 CALUOECBYPORFL-GFCCVEGCSA-N 311.382 -0.179 30 20 DBED C#CCCCCNC(=O)C(=O)NC[C@@H]1COC2(CCOCC2)O1 1346468478 PKDFGSXWVIWTCO-CYBMUJFWSA-N 324.377 -0.056 30 20 DBED CC(=O)NCC(=O)NC[C@@H](NC(=O)c1cc(C#N)c[nH]1)C1CC1 1372348961 TVJUZAFSIZYERS-CYBMUJFWSA-N 317.349 -0.353 30 20 DBED C=C(Cl)CN1CCN(CCNC(=O)CNC(=O)NC)CC1 1376084085 YUFMJPTXQKIPAF-UHFFFAOYSA-N 317.821 -0.598 30 20 DBED CS(=O)(=O)CC(=O)NC[C@H]1CCN1C(=O)c1ccc(C#N)[nH]1 1389627504 MVOVPWSJORMUGF-SNVBAGLBSA-N 324.362 -0.738 30 20 DBED CCN(CCC#N)C(=O)CN1CC(NC(=O)c2cc[nH]n2)C1 1391407240 ZOUDWRCBWKJWJA-UHFFFAOYSA-N 304.354 -0.414 30 20 DBED CC(=O)NCC(=O)N[C@H](C)C1CN(C(=O)c2cc(C#N)c[nH]2)C1 1395258915 CSVPSWJPKIMQGX-SECBINFHSA-N 317.349 -0.401 30 20 DBED CC[C@@H](CNC(=O)c1cnn(C)n1)NC(=O)c1ccc(C#N)[nH]1 1399023908 RZPGLXMTENXFSV-VIFPVBQESA-N 315.337 -0.047 30 20 DBED CCN(CCC#N)C(=O)CN1CC(NC(=O)COC(C)C)C1 1400364010 ZULAAUMIUGWFSD-UHFFFAOYSA-N 310.398 -0.026 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)c2cnc3[nH]nnc3c2)CC1 1400654515 PHBHGHFHRUTDPP-QMMMGPOBSA-N 313.321 -0.109 30 20 DBED COCC(=O)N(C)CC(=O)N1CC[C@H](N(C)C(=O)[C@@H](C)C#N)C1 1407193321 VGUWMEXMRIHVDI-RYUDHWBXSA-N 324.381 -0.690 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]1CNC(=O)CCN1CCOCC1 1410615862 OMQBHZIWJMVICN-QWHCGFSZSA-N 308.382 -0.415 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)c2ccn3nnnc3c2)CC1 1410811019 YJTRVUSSGXNVIR-VIFPVBQESA-N 313.321 -0.337 30 20 DBED N#Cc1ccc(NCC(=O)NC[C@]2(O)CCS(=O)(=O)C2)cc1 1412137141 KYKSWQJHDXDMHA-CQSZACIVSA-N 323.374 -0.364 30 20 DBED C[C@@H]1C[C@@H](C(=O)NCCn2cc(C#N)c(O)nc2=O)CCO1 1412369270 BWYKDKRXFOAIIW-ZJUUUORDSA-N 306.322 -0.248 30 20 DBED C[C@@H](CNC[C@@H](O)Cn1cccn1)NC(=O)c1cc(C#N)c[nH]1 1422631683 CPELHRKXELHBPI-WCQYABFASA-N 316.365 -0.148 30 20 DBED CCn1nc(C)c(C(=O)N(C)C[C@H](O)CNC(=O)[C@H](C)C#N)n1 1425833073 QGOKADGRLQIXPO-MWLCHTKSSA-N 322.369 -0.685 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H](C)CNC(=O)Cn1ccccc1=O 1442733180 GFNIMZYQXVOBKL-VXGBXAGGSA-N 304.350 -0.029 30 20 DBED CCN(CCC#N)C(=O)CN1CC(CNC(=O)[C@H]2CCOC2)C1 1443591210 XWWLYJXCPSQZRG-AWEZNQCLSA-N 322.409 -0.167 30 20 DBED C[C@H](C#N)C(=O)NC[C@](C)(NC(=O)CS(C)(=O)=O)C1CC1 1451266541 TXXRNQNRWQNHKA-RNCFNFMXSA-N 315.395 -0.408 30 20 DBED COCCn1cc(C(=O)N2CC(NC(=O)[C@H](C)C#N)C2)nn1 1456388118 BBPRCMVWNSDLJR-SECBINFHSA-N 306.326 -0.975 30 20 DBED CCN(CCNC(=O)CN1CCC(=O)NC1=O)C(=O)[C@@H](C)C#N 1496988862 CHTMZVRDAPQBGG-JTQLQIEISA-N 323.353 -0.947 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(CCN(CC(=O)NC(N)=O)CC2)C1 1499578620 RKZFJANPQRXVEX-NSHDSACASA-N 321.381 -0.345 30 20 DBED C#CCN(C)c1nnc(CCc2nc(CC(=O)NC)no2)n1C 1515072980 NMFXMLIMXPAJKS-UHFFFAOYSA-N 317.353 -0.659 30 20 DBED C[C@H]1CN2CCN1C[C@@H]2C(=O)NCC1CCN(CC#N)CC1 1527843792 BTXKSRHELXRUSY-DZGCQCFKSA-N 305.426 -0.274 30 20 DBED C=CCN1CC[C@@H](N[C@H](C)CN(C)C(=O)CNC(=O)O)C1=O 1573369318 YCYFHCSHUKKBCZ-GHMZBOCLSA-N 312.370 -0.523 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@]1(CO)CCCN(Cc2cnn[nH]2)C1 1575072434 IDUORFQFZHKVOG-LSDHHAIUSA-N 323.397 -0.425 30 20 DBED COC(=O)[C@@H]1C[C@H](F)CN1c1cnc(-c2nn[nH]n2)c(C#N)n1 1579472111 QVNHGAMBOMVNDN-XPUUQOCRSA-N 318.272 -0.382 30 20 DBED C#CCN(C(=O)C(=O)N[C@H]1C[C@@H](C(=O)O)C1)C1CCN(C)CC1 1588395011 AVLWLVAKNKKTFG-TXEJJXNPSA-N 321.377 -0.478 30 20 DBED C#CCN(CC(=O)O)c1nnnn1[C@@H](C)CN1CCCC1=O 1588426910 GMLDUORBIGPVIU-JTQLQIEISA-N 306.326 -0.619 30 20 DBED C#CCN(C(=O)N[C@H]1C[C@@H](C(=O)O)C1)[C@H]1CCS(=O)(=O)C1 1588460245 VPXJVIAERWAELC-AXFHLTTASA-N 314.363 -0.319 30 20 DBED C#CCNCc1cn(C2CN(C(=O)[C@@H]3C[C@H]3C(=O)O)C2)nn1 1588485557 XCZRHAYXFDRMPY-VXGBXAGGSA-N 303.322 -0.895 30 20 DBED C=CCn1cc(CNC(=O)N2C[C@@H](O)C[C@H](C(=O)O)C2)nn1 1588908959 BTQMCTCFVFEOAB-ONGXEEELSA-N 309.326 -0.559 30 20 DBED COC(=O)C[C@@H](NS(=O)(=O)CC(C)(C)CC#N)C(=O)O 1598840814 OHFAJTHETIHNCK-MRVPVSSYSA-N 306.340 -0.138 30 20 DBED N#CCNC(=O)CNC(=O)C(=O)Nc1cc(C(=O)O)ccc1F 1601074602 IDRFPQHMUTWAFX-UHFFFAOYSA-N 322.252 -0.782 30 20 DBED C=CC[C@H](C(=O)O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 1602834749 CFVAZLQAXYZENI-GFCCVEGCSA-N 309.366 -0.218 30 20 DBED CCN(OC)C(=O)CNC(=O)N1CCC(C#N)(C(=O)O)CC1 1610003617 REJNVQIEMCHTON-UHFFFAOYSA-N 312.326 -0.204 30 20 DBED CC(=O)N[C@@H](CC(=O)N(CCC#N)Cc1ccco1)C(N)=O 1645571980 KWIFXZDCIVXUBI-LBPRGKRZSA-N 306.322 -0.098 30 20 DBED N#Cc1ncn(CCNC(=O)NC[C@@H]2CCCS2(=O)=O)n1 1649832203 KAGFSZMKKCZOJP-VIFPVBQESA-N 312.355 -0.974 30 20 DBED C#CCNC(=O)CN(C)CCCNC(=O)C1CCN(C)CC1 1752056296 PMXODZGRTWOKBR-UHFFFAOYSA-N 308.426 -0.484 30 20 DBED C[C@H](CNC(=O)c1ccc(C#N)[nH]1)NCCNS(C)(=O)=O 1752865127 BBMWIHYHLSDJKK-SECBINFHSA-N 313.383 -0.857 30 20 DBED C#CCCN(C)CCNC(=O)C[C@]1(C)CCS(=O)(=O)N1 1753071732 ARRPAFJPQYINNA-ZDUSSCGKSA-N 301.412 -0.470 30 20 DBED C#CCNC[C@H](O)CNC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F 1753913711 BBZQQULACORAQK-AEJSXWLSSA-N 310.272 -0.967 30 20 DBED C=C(C)CCNC[C@@H](O)CNC(=O)[C@H]1CCc2nnn(C)c2C1 1753925631 NAUSWQUFMUIDLW-QWHCGFSZSA-N 321.425 -0.047 30 20 DBED C=CCCNC[C@@H](O)CNC(=O)C[C@H]1CCCS(=O)(=O)C1 1753934321 VFQFSTLQFSWKLK-CHWSQXEVSA-N 318.439 -0.156 30 20 DBED C=CCN1CC[C@@H](NCC[C@H](C)NC(=O)c2ncn(C)n2)C1=O 1753962636 VFRRWFGYARCXES-NWDGAFQWSA-N 320.397 -0.300 30 20 DBED N#CCNC(=O)CNC/C=C\CNC(=O)c1ccc(C#N)[nH]1 1754111959 CMWUJEWCEBNWEY-UPHRSURJSA-N 300.322 -0.598 30 20 DBED CCCCNC(=O)NC(=O)CNC[C@@H](C)NC(=O)[C@H](C)C#N 1754220933 RMMKNEHWXJHDHB-GHMZBOCLSA-N 311.386 -0.134 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@H](C)NC(=O)c1cccnc1OC 1754281900 XGCFEQXKJGOWTB-NWDGAFQWSA-N 318.377 -0.064 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)CCCN[C@@H](C)c1nnnn1C 1754370480 CYWBRYOFMBPVRN-RYUDHWBXSA-N 308.386 -0.253 30 20 DBED C=CCCN1CC(CCO)(NC(=O)C(C)(C)S(C)(=O)=O)C1 1755336888 LLZMXCZKJXIKET-UHFFFAOYSA-N 318.439 -0.061 30 20 DBED C#CCNC(=O)CNCCC[C@H](C)NC(=O)c1csnn1 1755509733 SJLVUCMRXJHWLH-JTQLQIEISA-N 309.395 -0.224 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)c2nnn(C)c2C)[C@@H]1C 1755650195 HZTHKCICMOWFFT-DGCLKSJQSA-N 305.382 -0.034 30 20 DBED C[C@@H]1[C@H](NCC(=O)NCC#N)CCN1C(=O)CCn1cccn1 1755665982 VXTQCTPTQYYHSK-CHWSQXEVSA-N 318.381 -0.508 30 20 DBED C=CCOCCN[C@@H]1CN(C(=O)CNC(=O)NC)CC1(C)C 1755757457 NKUBBQPNWUBHQB-GFCCVEGCSA-N 312.414 -0.055 30 20 DBED C#CCN(C)C[C@H](O)CN(C)C(=O)c1ccc(C(N)=O)nc1 1755806915 AMAGRWYQTDXUHC-LBPRGKRZSA-N 304.350 -0.822 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H](CO)CNC(=O)c1cnns1 1756506977 YSEUIBDIXOCSJS-DTWKUNHWSA-N 314.367 -0.664 30 20 DBED CN(C[C@@H]1CCCCN1C(=O)c1c[nH]c(C#N)c1)C(=O)C(N)=O 1757547849 XYTUSWOYLDVOIV-LBPRGKRZSA-N 317.349 -0.175 30 20 DBED C=CCCC(=O)N1CC[C@@H](NC(=O)CN2CCCC2=O)[C@H](O)C1 1757558716 FHYNLXJVZGRKPW-CHWSQXEVSA-N 323.393 -0.347 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(O)nn1)CCO2 1783047880 LJPDHAKIZZDMQL-OAHLLOKOSA-N 316.317 -0.741 30 20 DBED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cccn3)[C@H]2C1 1787103921 RXADBNTUKSRMAE-IHRRRGAJSA-N 316.361 -0.504 30 20 DBED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)C#CC1CC1)C2 1846194789 POCGYHCJHIOORZ-UHFFFAOYSA-N 300.314 -0.309 30 20 DBED Cn1c(N[C@H](C(N)=O)c2ccccc2)c(C#N)c(=O)n(C)c1=O 14301564 LYGCEHPIWYTJKB-NSHDSACASA-N 313.317 -0.406 30 20 DBED C=CCN(CC(=O)N1CCO[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 66560630 OYJNLINMBUMFOE-CHWSQXEVSA-N 316.423 -0.091 30 20 DBED CC[C@@](C)(C#N)NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 127578726 LZYFZGRBEGGBFH-AWEZNQCLSA-N 318.337 -0.758 30 20 DBED CN1CCO[C@@H]2CN(S(=O)(=O)c3ccc(C#N)nc3)C[C@@H]21 128753095 KSVHSNASEGTYIV-QWHCGFSZSA-N 308.363 -0.343 30 20 DBED CCN(CCO)CCNC(=O)C(=O)Nc1cccc(C#N)c1 185597204 JBQOUPTXZIIIMM-UHFFFAOYSA-N 304.350 -0.073 30 20 DBED N#Cc1ccc(N2CCN(C(=O)Cn3cn[nH]c3=O)CC2)nc1 188651912 WBJLUQMLQUKAGA-UHFFFAOYSA-N 313.321 -0.813 30 20 DBED C=CCN(C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)C1CC1 271407445 NRDSRTWLSSGXAK-UHFFFAOYSA-N 317.349 -0.389 30 20 DBED N#Cc1ccc(S(=O)(=O)NCC(=O)NCC(F)F)cn1 280961415 KYUDMXDREFTRHV-UHFFFAOYSA-N 304.278 -0.387 30 20 DBED C=CCSCCNC(=O)C(=O)N(CC)CCS(C)(=O)=O 286548001 RHMNGIHTVQEWJT-UHFFFAOYSA-N 322.452 -0.085 30 20 DBED CN(C(=O)C(=O)Nc1ccc(F)cc1C#N)[C@@H]1COC[C@H]1O 289219506 VSTYTHYZYAXSTA-VXGBXAGGSA-N 307.281 -0.146 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H](OC)C2CC2)C1=O 294648526 RKLNOBBCYIFEEQ-JTQLQIEISA-N 309.322 -0.496 30 20 DBED CCn1cc(C#N)c(=O)n(CC(=O)Nc2cc(C)no2)c1=O 298595481 KCZQMNUVHGFYIF-UHFFFAOYSA-N 303.278 -0.163 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H]2CCCCO2)C1=O 299620808 ZUTZHENOCNAPEG-SNVBAGLBSA-N 309.322 -0.352 30 20 DBED COCC/N=C(/O)CN1CCN(C(=O)[C@H]2CCC(O)=N2)CC1 329136910 HGBDBHIJHRWDSU-LLVKDONJSA-N 312.370 -0.148 30 20 DBED CCc1nc2n(n1)C[C@H](/N=C(/O)Cn1ncn(C)c1=O)CC2 329247380 RSZATDJQGACKGQ-SECBINFHSA-N 305.342 -0.293 30 20 DBED C[C@H]1CS(=O)(=O)C[C@H]1N/C(O)=N/C[C@H]1CN(C)CCO1 329680708 WNMUJNIFDVTVQU-GARJFASQSA-N 305.400 -0.746 30 20 DBED O=C(C/N=C(/O)CN1CCn2c(O)nnc2C1)N1CCCC1 329680730 WOMHIGUIGATTOM-UHFFFAOYSA-N 308.342 -0.622 30 20 DBED CC[C@@H](O)CN1CCN(S(=O)(=O)N(C)[C@@H](C)CC#N)CC1 330434661 YCDWZOWAXGKISW-QWHCGFSZSA-N 318.443 -0.146 30 20 DBED C[C@@H](C#N)NC(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1 330622450 NUYSFPVGUSYXIR-QWHCGFSZSA-N 308.382 -0.272 30 20 DBED C[C@@H](CS(C)(=O)=O)/N=C(/O)N(C)CCN1CCOCC1 330750561 AZJLCHDNNAENPB-NSHDSACASA-N 307.416 -0.403 30 20 DBED CN(CC(F)(F)F)C(=O)CN(CC#N)S(=O)(=O)N(C)C 332482506 OQSSGMDRPDZNKF-UHFFFAOYSA-N 316.305 -0.361 30 20 DBED CCOC(=O)[C@@](C)(O)CNS(=O)(=O)N(CC)C[C@H](C)C#N 336950746 TZUASXUMNHDLOK-PWSUYJOCSA-N 321.399 -0.384 30 20 DBED C[C@@H](CNC(=O)NCCn1cnc(C#N)n1)Cn1cccn1 344314784 HNCAUFCGPMEDPC-NSHDSACASA-N 302.342 -0.018 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2C[C@@H]2C(F)F)C1=O 345799929 IZJWDEWTOXYGJA-BQBZGAKWSA-N 301.249 -0.267 30 20 DBED C=CCNC(=O)CNS(=O)(=O)[C@@H]1CCCC[C@@H]1C(=O)OC 356617291 HPNJQDYVPWMMEN-WDEREUQCSA-N 318.395 -0.060 30 20 DBED COCCO[C@@H]1COCC[C@@H]1NS(=O)(=O)N(C)CCC#N 362619931 CKTGRABZWVIYPN-NWDGAFQWSA-N 321.399 -0.513 30 20 DBED C=CCNC(=O)NC(=O)CN1CCOC[C@H]1c1noc(C)n1 369429787 WYJRAYMFECIBMI-JTQLQIEISA-N 309.326 -0.237 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2C[C@@H](C)NC[C@@H]2C)nn1 424547067 OEVCHTQPTIVFFK-MNOVXSKESA-N 306.370 -0.711 30 20 DBED Cc1[nH]c(C#N)cc1C(=O)NCCCn1c(=O)ccn(C)c1=O 425283926 UOBKMGLKMSSECC-UHFFFAOYSA-N 315.333 -0.125 30 20 DBED CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1ccn(CCOC)n1 437398628 UETNEPGJSKIPQU-LLVKDONJSA-N 307.354 0.476 30 20 DBED C#CCN(CC#CC)C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C 490675369 FAUAJIUQTZXTLQ-UHFFFAOYSA-N 324.340 -0.269 30 20 DBED CC[C@](C)(C#N)NC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C 523670870 OHCAMOWYSGWBTL-OAHLLOKOSA-N 317.349 -0.002 30 20 DBED C[C@H](C#N)CNC(=O)NCCS(=O)(=O)N1CCSCC1 541946000 XICYXKBLLZHTRO-SNVBAGLBSA-N 320.440 -0.176 30 20 DBED N#Cc1c[nH]cnc1=NCCCCN1CCN(CCO)CC1 575119541 VAVIFTYNLISDBL-UHFFFAOYSA-N 304.398 -0.428 30 20 DBED C=CCn1cc(CNS(=O)(=O)N(C)CCC(=O)O)nn1 646001474 LRVVMHPGRFXTSO-UHFFFAOYSA-N 303.344 -0.795 30 20 DBED C#C[C@H](NC(=O)[C@H]1CCCN1S(C)(=O)=O)[C@H]1CCCO1 775326337 DQRBPGANBPZIEU-QJPTWQEYSA-N 300.380 -0.293 30 20 DBED C#CCC[C@H](O)CNS(=O)(=O)c1cncc(C(=O)OC)c1 798486637 HUIXXYJAUPIUKN-NSHDSACASA-N 312.347 -0.079 30 20 DBED N#Cc1ncn(CCNC(=O)c2cc3nn[nH]c3cc2F)n1 804620730 UCWFIKNJZZSQBY-UHFFFAOYSA-N 300.257 -0.010 30 20 DBED C=CCOCCOC(=O)CCn1cc(S(N)(=O)=O)cn1 815201116 QXTDHIIEAWGQSG-UHFFFAOYSA-N 303.340 -0.334 30 20 DBED C#C[C@H](NC(=O)C1(S(C)(=O)=O)CCOCC1)[C@H]1CCCO1 816177208 UVLPNGUUYUIKPO-NWDGAFQWSA-N 315.391 -0.123 30 20 DBED C#C[C@H](NC(=O)C(=O)N1C[C@@H](CO)OC(C)(C)C1)[C@H]1CCCO1 817839333 YCZXDJHSVNIQIK-RWMBFGLXSA-N 324.377 -0.718 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC2=NC[C@H](C)S2)C1=O 819766543 PFOOWUXCFHMSMW-ZETCQYMHSA-N 310.335 -0.429 30 20 DBED Cn1cc(-c2nn[nH]n2)c(NC(=O)N2CCO[C@@H](C#N)C2)n1 822608799 HTEQESBDHNGVHO-ZETCQYMHSA-N 303.286 -0.644 30 20 DBED CC1=C(C(=O)N2CC[C@](O)(CC#N)C2)[C@H](C)n2nnnc2N1C 848237656 IUAZTNWKCRLIPO-IINYFYTJSA-N 317.353 -0.165 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1OC 855476483 PESFCLHUPAXVCG-WOPDTQHZSA-N 300.380 -0.988 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCCN1CCC[C@H]1C(N)=O 862647388 JUEOBUARRQRLFG-KBPBESRZSA-N 306.410 -0.460 30 20 DBED CC#CCCNC(=O)N1CC[C@@H](N2C(=O)O[C@H]3CNC[C@H]32)C1 891813881 MQFBHEDEWGOMNM-UPJWGTAASA-N 306.366 -0.024 30 20 DBED C#CCNC(=O)CCN1C(=O)N[C@@H](CC(=O)N2CCCC2)C1=O 899870994 PSZHFDRDNWNBOZ-NSHDSACASA-N 320.349 -0.941 30 20 DBED CN(C(=O)[C@H]1CCCNC1=O)[C@@H]1CCN(C(=O)C#CC2CC2)C1 937351821 GUTMZFOIAIMQOS-KGLIPLIRSA-N 317.389 -0.015 30 20 DBED C#CCCN1CC[C@H](NC(=O)CN2C(=O)CCC2=O)[C@@H](C)C1 944810728 KCWBFAHDZMLDEI-STQMWFEESA-N 305.378 -0.015 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCN([C@@H](C)C(=O)NC)CC1 948825865 VSBVQDYQBNEWNR-KBPBESRZSA-N 306.410 -0.637 30 20 DBED C#CCN1CCOC2(CCN(C(=O)[C@H]3CCNC(=O)C3)CC2)C1 949340282 HTGLSRYUFVTVCI-AWEZNQCLSA-N 319.405 -0.161 30 20 DBED C#CCCN1C[C@H](O)[C@H](CNC(=O)c2cnn3cccnc23)C1 958309299 JPQOJIYWLYHWOH-OCCSQVGLSA-N 313.361 -0.225 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2cnc3c(c2)ncn3C)C1 958316994 QNJPFTPDQGPEKI-OCCSQVGLSA-N 313.361 -0.376 30 20 DBED C=C(Cl)CN1C[C@H](CNC(=O)c2c[nH]c(=O)cn2)[C@@H](O)C1 958350415 PWXANSWOHWYKPE-ONGXEEELSA-N 312.757 -0.455 30 20 DBED C#CCN1C[C@H](CNC(=O)c2cnn(CC3CC3)c2)[C@@H](O)C1 958574317 NQXVXNRJKBBLLI-ZFWWWQNUSA-N 302.378 -0.051 30 20 DBED CC(C)(C)n1nnc(CC(=O)N[C@H]2[C@@H]3CN(CC#N)C[C@@H]32)n1 960071941 HNLQTFZSNUNRFH-IWIIMEHWSA-N 303.370 -0.459 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cocn1 960131454 QIQWJZQYUQFZEV-ZMLRMANQSA-N 304.306 -0.114 30 20 DBED C#CCN1C[C@@H]2C(NC(=O)Cn3nc4ccccn4c3=O)[C@H]2C1 961413072 QKWUOUGVJCUKNL-RYUDHWBXSA-N 311.345 -0.824 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CN(C(=O)Cn3nccn3)C[C@H]2C1 961634837 WSWQGRLDIQFDQM-UTUOFQBUSA-N 302.338 -0.645 30 20 DBED Cc1cc(CC(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)n[nH]1 962206175 VDHKKNXPCZFKNB-AXTRIDKLSA-N 305.338 -0.892 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCCO3)C[C@@H]2O)c[nH]1 962388293 WIQMERMYVMJYCL-AGIUHOORSA-N 318.333 -0.633 30 20 DBED O=C(C#CC1CC1)N1CCOC[C@H]1CNC(=O)[C@@]12COC[C@@H]1C2 964212575 FNSGPSUHAOIPJZ-VBQJREDUSA-N 318.373 -0.220 30 20 DBED O=C(NC[C@H]1COCCN1C(=O)C#CC1CC1)c1ccncn1 964320179 LWVYULTTWVFWAZ-ZDUSSCGKSA-N 314.345 -0.153 30 20 DBED CCN(C(=O)C1CN(C(C)=O)C1)C1CN(C(=O)[C@@H](C)C#N)C1 967907414 GEGGJMHHLNVPDL-JTQLQIEISA-N 306.366 -0.316 30 20 DBED C#CCCN1CC([C@@H](C)NC(=O)[C@H]2CN(C(C)=O)CCO2)C1 970826418 QNZTXQAORMPVIK-IUODEOHRSA-N 307.394 -0.307 30 20 DBED CCn1nncc1C(=O)N1CC[C@]2(CN(CC#N)CCO2)C1 972375266 XAJDODPZCZYOJM-AWEZNQCLSA-N 304.354 -0.262 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)c3nnn(C)n3)[C@@H]2C1 974812037 UPXANGNZLXORJN-OPRDCNLKSA-N 303.326 -0.957 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)c3c[nH]c(=O)cn3)C[C@H]21 974972018 YFLNNFACTPMAJT-CKYFFXLPSA-N 315.333 -0.398 30 20 DBED CN(C[C@@H]1CCN1C(=O)C#CC1CC1)C(=O)[C@@H]1CCNC(=O)C1 977558997 SWMRRIGPXWHMAY-KGLIPLIRSA-N 317.389 -0.015 30 20 DBED C#CCCN1C[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)C(C)(C)C1 977563767 FKJJZHYELIDWJQ-GFCCVEGCSA-N 320.393 -0.270 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]1CN(C)C(=O)c1ccc(C(N)=O)[nH]1 978417340 UNVPPOPFMABUTK-VHSXEESVSA-N 317.349 -0.054 30 20 DBED C=CCCN1C[C@@H]2C(CNC(=O)c3cn(C)c(=O)nc3O)[C@H]2C1 979069122 JFUZINRBXWXHPC-VXGBXAGGSA-N 318.377 -0.030 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CCC[C@@H](NC(=O)C(N)=O)C2)c[nH]1 983566833 BKVKKDQNQCTQGA-NXEZZACHSA-N 303.322 -0.471 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H](N(C)C(=O)c2c[nH]c(=O)cn2)C1 984597962 OGCGSPZLYJLQKV-GHMZBOCLSA-N 317.349 -0.007 30 20 DBED C[C@H]1[C@H](NCC#N)CCN1C(=O)c1cnn2c(=O)cc[nH]c12 987136962 MGFIBOAZZJKRQU-GXSJLCMTSA-N 300.322 -0.261 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](CN(C)C(=O)c2c[nH]c(=O)cn2)C1 988287366 PGTUVMSCCSANOG-GHMZBOCLSA-N 317.349 -0.150 30 20 DBED C=CCN1CC[C@]2(NC(=O)Cn3cnc(C(N)=O)n3)CCC[C@@H]12 990767136 XHNHRIXRYDCWQY-IAQYHMDHSA-N 318.381 -0.324 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(C)=O)C[C@@H]2n2ccnn2)nc1 990914865 QNKUFFNZAFEEAN-CABCVRRESA-N 324.344 -0.144 30 20 DBED O=C(N[C@H]1CCN(C(=O)C#CC2CC2)C[C@H]1O)[C@@H]1[C@H]2COC[C@H]21 991694069 JQWXIKMBCHQYRX-OJKRMQCYSA-N 318.373 -0.630 30 20 DBED C=CCN[C@H]1CN(C(=O)Cn2nc(C)n(C)c2=O)CC1(C)C 996575774 SKXOZFVXUQPRDY-LBPRGKRZSA-N 307.398 -0.097 30 20 DBED NC(=O)[C@@H]1CC[C@H](C(=O)NC2CN(C(=O)C#CC3CC3)C2)C1 999938298 FLDVPQBLNNWALJ-NEPJUHHUSA-N 303.362 -0.372 30 20 DBED C=CCn1cc(C(=O)NCC2CCN([C@H](C)C(N)=O)CC2)nn1 1001918567 KBGBWICHYACYIP-LLVKDONJSA-N 320.397 -0.220 30 20 DBED C=C(C)CCN1CCC(NC(=O)c2cn(CC(N)=O)nn2)CC1 1004207302 DHWZCQWJSKLOSV-UHFFFAOYSA-N 320.397 -0.076 30 20 DBED O=C1NCC[C@@H]1C(=O)N1C[C@H]2CC[C@H]1CN2C(=O)C#CC1CC1 1007312195 GZPXMPRFCLUSGJ-RDBSUJKOSA-N 315.373 -0.262 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NC1[C@@H]2CN(C(=O)CC(N)=O)C[C@@H]12 1013183635 UDMRFUPXSFYFOU-KKOKHZNYSA-N 321.377 -0.584 30 20 DBED C=CCN1CC[C@H](N2CC[C@H](NC(=O)c3cnn[nH]3)C2)C1=O 1015064670 AVFDRUKWQDRWTM-JQWIXIFHSA-N 304.354 -0.604 30 20 DBED N#CCN1CCC2(CC1)C[C@H]2NC(=O)[C@H]1CCS(=O)(=O)N1 1016977953 CXHITDADDVCDGT-GHMZBOCLSA-N 312.395 -0.828 30 20 DBED Cn1ncc(C(=O)N2CC[C@H]3CN(C(=O)C#CC4CC4)C[C@H]32)n1 1022152494 SJCCSGYENFDLCH-GXTWGEPZSA-N 313.361 -0.099 30 20 DBED Cc1ncc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2O)s1 1023172334 RPXTWNSXHYGQMC-FXBDTBDDSA-N 308.363 -0.087 30 20 DBED N#Cc1c[nH]c(C(=O)N2C[C@H]3[C@@H](NCC(N)=O)CC[C@H]3C2)c1 1026230106 WKONJROFCPFYMC-TUAOUCFPSA-N 301.350 -0.188 30 20 DBED Cc1nn(CC(=O)N2C[C@H]3[C@@H](NCC#N)CC[C@H]3C2)c(=O)n1C 1026408316 CWZYEYSKJUSPEE-XQQFMLRXSA-N 318.381 -0.760 30 20 DBED C#CCCN1CC[C@@H](CNC(=O)[C@H]2COCCN2C(C)=O)C1 1028993976 KHZYLLNFGSZDSB-LSDHHAIUSA-N 307.394 -0.305 30 20 DBED CN1CC[C@H](C(=O)N[C@@H]2CCCCN(CC#N)C2)S1(=O)=O 1034441057 AADVXOQYTNOFPH-VXGBXAGGSA-N 314.411 -0.485 30 20 DBED CC#CCN1CCO[C@H](CNC(=O)[C@H]2COCCN2C(C)=O)C1 1035607979 DONBRGXVKTWXLE-HUUCEWRRSA-N 323.393 -0.926 30 20 DBED C#CCCN1CCO[C@H](CNC(=O)c2cn(C)c(=O)n2C)C1 1035617407 WHRMTLWHOYSMPI-GFCCVEGCSA-N 306.366 -0.822 30 20 DBED CC(C)C#CC(=O)NC[C@@]1(O)CCN(C(=O)[C@H]2CCC(=O)N2)C1 1039663776 JFDAHUNFQHMSNI-WBMJQRKESA-N 321.377 -0.996 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)Cc2cncs2)C1 1040127399 IJKKPYIYLRPVDV-YGRLFVJLSA-N 322.390 -0.075 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)CN(C)C2CCC2)C1 1040146575 GWRDDQFUIKIPHO-MLGOLLRUSA-N 322.409 -0.290 30 20 DBED C[C@H]1[C@@H](Nc2cncc(C#N)n2)CCN1C(=O)c1nnn(C)n1 1040222704 XZLDYBFUWGCZGC-WPRPVWTQSA-N 313.325 -0.413 30 20 DBED Cc1n[nH]c(C)c1C(=O)NC[C@@]1(O)CCN(C(=O)[C@H](C)C#N)C1 1040538915 SDZPSLDJXMJATH-PSLIRLAXSA-N 319.365 -0.121 30 20 DBED N#Cc1cnccc1N1C[C@@H]2CCN(C(=O)Cn3ncnn3)[C@@H]2C1 1040723974 VLSXATQLGCREDH-SMDDNHRTSA-N 324.348 -0.323 30 20 DBED Cc1ncc(CC(=O)N2CC[C@@](O)(CNC(=O)[C@@H](C)C#N)C2)o1 1040760032 LMZWHDVKSDXYBW-ZUZCIYMTSA-N 320.349 -0.235 30 20 DBED CSCCC(=O)NCC1(O)CN(C(=O)c2ccc(C#N)[nH]2)C1 1041374166 YUIHBRMZKOVRHM-UHFFFAOYSA-N 322.390 -0.057 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@@H]2OCC)C1 1041686731 OFXPFHJWNTVUQZ-OLZOCXBDSA-N 308.378 -0.096 30 20 DBED C=CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)C[C@H](C)OC)C1 1043570616 JSWNHSPLIYQAEQ-RYUDHWBXSA-N 314.382 -0.308 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)c2cncnc2O)C1 1043582770 HPQSJNDJPCNQNU-UHFFFAOYSA-N 320.349 -0.303 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)[C@H]2CO[C@@H](C)C2)C1 1043624218 KCLVSRHSPPQZDK-QWHCGFSZSA-N 308.378 -0.096 30 20 DBED C=C[C@@H](C)[C@H](C)C(=O)N1CC(O)(CNC(=O)c2cnn(C)n2)C1 1043891244 SALQOWPZXAEAIA-MNOVXSKESA-N 321.381 -0.424 30 20 DBED C=C[C@@](C)(CC)C(=O)N1CC(O)(CNC(=O)c2nnn(C)n2)C1 1044935328 QOWUQDWOIXNWNJ-ZDUSSCGKSA-N 322.369 -0.885 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)c2cnc(C)n2C)C1 1045148750 VYJWCTYBBZRBNU-UHFFFAOYSA-N 318.377 -0.165 30 20 DBED N#CCN1CC[C@H](N2CCN(C(=O)CO[C@@H]3CCOC3)CC2)C1 1046026716 FBAQVHVLIADIRT-LSDHHAIUSA-N 322.409 -0.466 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)Cn2ccc(C)n2)C1 1046767793 JOEJBYBPMWEKNN-UHFFFAOYSA-N 318.377 -0.315 30 20 DBED C[C@@]1(NC(=O)c2cc(=O)n3[nH]cnc3n2)CCN(CC#N)C1 1046768961 JQXCMHOFKGSWPT-CYBMUJFWSA-N 301.310 -0.865 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccnc(OC)n2)C1 1047453430 XVMWBGLRYRMGKH-STQMWFEESA-N 304.350 -0.374 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1O 1049389242 VQVTZONAUSKMNC-ICCXJUOJSA-N 315.333 -0.310 30 20 DBED Cc1c(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)C#N)C2)cnn1C 1049389533 YTMQFDIHPDPIIT-ICCXJUOJSA-N 319.365 -0.468 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)[C@H]1CCc2nccn2C1 1050988164 AZUVVHXAYOCGHP-UONOGXRCSA-N 302.378 -0.104 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)c1ccc(C(N)=O)cn1 1051267863 FPKRFUUTEZMKEG-GFCCVEGCSA-N 302.334 -0.756 30 20 DBED N#Cc1ccc(F)c(CNC[C@H]2CN(C(=O)C(N)=O)CCO2)c1 1051794294 JRBMJJYGTXQPSU-LBPRGKRZSA-N 320.324 -0.500 30 20 DBED C#Cc1ccc(C(=O)N2C[C@@H](C)[C@@H](CNC(=O)C(N)=O)C2)cc1 1053121152 OGKRPKAOHLTOGO-RISCZKNCSA-N 313.357 -0.023 30 20 DBED C#CCN1CC2(C1)CN(C(=O)c1cncc(C(N)=O)c1)CCO2 1053535268 HYAFBDGYLWCDHR-UHFFFAOYSA-N 314.345 -0.660 30 20 DBED CCN1CCOC[C@@H]1C(=O)NC[C@H]1CCC2(CN(CC#N)C2)O1 1053620994 YUCVRQLMTBZQGM-ZIAGYGMSSA-N 322.409 -0.420 30 20 DBED CCN1C[C@H](C(=O)N[C@H]2COC3(C2)CN(CC#N)C3)CC1=O 1053821931 BCYZIDDOSVXCPI-VXGBXAGGSA-N 306.366 -0.662 30 20 DBED C=CCOCC(=O)N[C@@]1(CO)CCCN(C(=O)COC)C1 1055831425 NNERISZODGUVSI-AWEZNQCLSA-N 300.355 -0.695 30 20 DBED C=CCOCC(=O)N1CCC[C@H]2[C@H]1CCN2C(=O)CC(N)=O 1056314352 MQTGPCFFSDGBAS-NWDGAFQWSA-N 309.366 -0.344 30 20 DBED N#Cc1nccnc1N1C[C@H]2[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)[C@H]2C1 1056407077 LBUMKXZPIWDFSL-ULHKAFAUSA-N 312.333 -0.980 30 20 DBED C#CCO[C@H](C)C(=O)NCCN(CCO)C(=O)[C@H]1CCCO1 1056895816 IEHMIUJGHYTVGY-CHWSQXEVSA-N 312.366 -0.859 30 20 DBED C=CC(C)(C)C(=O)NCCN(CCO)C(=O)COCCOC 1057221969 XSTZMUDAAGGKNX-UHFFFAOYSA-N 316.398 -0.201 30 20 DBED C=C[C@@H](C)[C@@H](C)C(=O)NCCN(CCO)C(=O)CC(=O)NC 1057417007 MKQKFXOIIWUTML-VXGBXAGGSA-N 313.398 -0.482 30 20 DBED O=C(Cn1cccn1)NCCN(CCO)C(=O)C#CC1CC1 1057531278 LTVMTBRSCWFPPY-UHFFFAOYSA-N 304.350 -0.766 30 20 DBED Cc1nccc(C(=O)NCCN(CCO)C(=O)C#CC2CC2)n1 1057536304 RSQYBZGGSDTART-UHFFFAOYSA-N 316.361 -0.251 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)[C@@H]1CCC(=O)NC1 1058051877 AILNJXRWQNVMFD-CYBMUJFWSA-N 323.393 -0.891 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)c1cccn(C)c1=O 1058233411 JEGDHWIJFHNMEA-LLVKDONJSA-N 320.349 -0.904 30 20 DBED C[C@H](C(=O)N[C@@H]1CCN(c2cncc(C#N)n2)C1)n1cncn1 1058319245 PYYLIULRZDPXCN-GHMZBOCLSA-N 312.337 -0.104 30 20 DBED N#Cc1cnc(N2CC[C@H](NC(=O)C[C@H]3COC(=O)C3)C2)cn1 1058339570 VTHFXKVMAZZPLA-MNOVXSKESA-N 315.333 -0.004 30 20 DBED Cc1n[nH]c(C)c1CC(=O)NCCN(CCO)C(=O)[C@@H](C)C#N 1058658852 MUAQKOHHEWXVDF-JTQLQIEISA-N 321.381 -0.334 30 20 DBED Cc1n[nH]c(C)c1CC(=O)NCCN(CCO)C(=O)[C@H](C)C#N 1058658853 MUAQKOHHEWXVDF-SNVBAGLBSA-N 321.381 -0.334 30 20 DBED C[C@@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(c1nccn3nnnc13)C2 1058734228 JEGSCZNHEOWECM-DCAQKATOSA-N 312.337 -0.141 30 20 DBED N#Cc1cnc(N[C@H]2CCN(C(=O)[C@H]3CCC(=O)NC3)C2)cn1 1059114407 RVNNSYWMDMPTNM-QWRGUYRKSA-N 314.349 -0.113 30 20 DBED Cc1cc(=N[C@H]2C[C@H](NC(=O)[C@H]3CNC(=O)N3)C2)c(C#N)c[nH]1 1059392191 UMUSYSISALTZTI-NQBHXWOUSA-N 314.349 -0.576 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@H](CCNC(=O)CC(N)=O)C1 1059645760 ICCJSDRXGMSRPU-NEPJUHHUSA-N 309.366 -0.745 30 20 DBED C=CCCC(=O)NCC[C@H]1CCN(C(=O)Cn2ncnn2)C1 1059695782 SPKGGZYUFAQADU-LBPRGKRZSA-N 306.370 -0.006 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC2(CC1)CN(C(=O)CC(N)=O)C2 1060958382 OHTLEJXRGMRRHF-GFCCVEGCSA-N 321.377 -0.649 30 20 DBED CC(C)C#CC(=O)N1CCOC[C@@H]1CNC(=O)Cn1cccn1 1061286165 ROVRASSIPAWUHA-AWEZNQCLSA-N 318.377 -0.114 30 20 DBED Cn1nccc1C(=O)N1CCOC[C@H]1CNC(=O)C#CC1CC1 1061570209 WFDVJJAMXHJFDE-CYBMUJFWSA-N 316.361 -0.209 30 20 DBED COC[C@H](OC)C(=O)NC[C@H]1COCCN1C(=O)C#CC1CC1 1061880073 ATGRTNDUKBNTCR-KBPBESRZSA-N 324.377 -0.595 30 20 DBED C=C(C)CCC(=O)N1CCOC[C@H]1CNC(=O)[C@H]1C[C@H]1C(N)=O 1061906337 UZKTVPRYCIYOBV-UPJWGTAASA-N 323.393 -0.192 30 20 DBED CN(C(=O)[C@@H]1CCC(=O)N1)[C@H]1CCN(c2ccc(C#N)nn2)C1 1062959631 CXJBEUPDVZYUQH-RYUDHWBXSA-N 314.349 -0.336 30 20 DBED Cn1cc(C(=O)NC2(CNC(=O)C#CC3CC3)CCC2)nn1 1062973941 HAIVPJFSIBKHLP-UHFFFAOYSA-N 301.350 -0.003 30 20 DBED CC(=O)N[C@H](C)C(=O)N1CCO[C@H](CNC(=O)C#CC2CC2)C1 1064817923 MHZAHSCATWRSAA-BXUZGUMPSA-N 321.377 -0.732 30 20 DBED CS(=O)(=O)CC(=O)N1CCC[C@H]1CNc1cnc(C#N)cn1 1064870441 AMOHNPXTWOEUQV-NSHDSACASA-N 323.378 -0.204 30 20 DBED C#CCCCC(=O)N1CCO[C@@H](CNC(=O)Cn2cncn2)C1 1065096384 DWYAAXJLSOCAHS-ZDUSSCGKSA-N 319.365 -0.575 30 20 DBED CC(=O)NCC(=O)NC[C@@H]1CN(C(=O)C#CC(C)(C)C)CCO1 1065136669 FWCWHQDPBLMKOJ-CYBMUJFWSA-N 323.393 -0.484 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)[C@H]2CCN(C)C2=O)CCO1 1065479916 CZJUXTOAURXQMH-STQMWFEESA-N 323.393 -0.226 30 20 DBED N#Cc1cncc(NC[C@H]2CN(C(=O)c3cnn[nH]3)CCO2)n1 1066691567 WNNMDJZVBPKHKF-JTQLQIEISA-N 314.309 -0.581 30 20 DBED N#Cc1cncc(NCC2CC(NC(=O)[C@@H]3COC(=O)N3)C2)n1 1067846034 RNXMRNMEWDXKOX-AMUVOQDHSA-N 316.321 -0.237 30 20 DBED C=CCOCC(=O)N1CCOC2(C1)CN(C(=O)c1cnon1)C2 1068356990 NDXSNGOXRSQGJP-UHFFFAOYSA-N 322.321 -0.674 30 20 DBED C=CCOCC(=O)N[C@H]1COC2(C1)CN(C(=O)[C@H](C)OC)C2 1068764304 NUNUEWYOCNVESE-NWDGAFQWSA-N 312.366 -0.290 30 20 DBED Cc1cc(C#N)nc(N[C@@H]2CN(C(=O)C(N)=O)CC2(C)C)n1 1069610272 NFFWWTGUZRVHSU-SNVBAGLBSA-N 302.338 -0.209 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2ocnc2C)C1 1069907838 QNRBIWSRSZBQDX-NEPJUHHUSA-N 300.322 -0.137 30 20 DBED O=C(C#CC1CC1)NCC1(NC(=O)c2nc[nH]n2)CCOCC1 1070194159 JHJIEXGNEQVMQX-UHFFFAOYSA-N 317.349 -0.387 30 20 DBED C=CCCOCC(=O)N[C@@H]1CCCN(C(=O)CNC(N)=O)C1 1070409288 ZZHOEXDWZAXDFU-LLVKDONJSA-N 312.370 -0.645 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CCCN(C(=O)c2cc(C(N)=O)c[nH]2)C1 1071179271 HEPKRJWNTLZVNW-GXSJLCMTSA-N 317.349 -0.006 30 20 DBED C=CCOCC(=O)N[C@H]1CN(C(=O)CC(=O)N(C)C)C[C@H]1C 1072124415 AFNLZIRLOQXVKW-NEPJUHHUSA-N 311.382 -0.370 30 20 DBED C#CCN1CCC2(C1)CN(C(=O)[C@H]1CCc3nnc(O)n3C1)C2 1072868033 XVBYIQZLMANXCE-LBPRGKRZSA-N 315.377 -0.286 30 20 DBED C=CCCN1CCC2(C1)CN(C(=O)Cn1c(O)nnc1O)C2 1073152614 JXYNMRGFNWBLIP-UHFFFAOYSA-N 307.354 -0.200 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(C(=O)CNC(C)=O)C[C@H]1C 1073816530 CPOUMWHHMACYEY-DGCLKSJQSA-N 311.382 -0.322 30 20 DBED CC(=O)NCC(=O)N1CC[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2CC1 1074278630 WCQSBOUFCUKAQC-FPMFFAJLSA-N 320.393 -0.021 30 20 DBED C[C@@H](CCNC(=O)C[C@H]1CC(=O)NC1=O)NC(=O)C#CC1CC1 1077317617 AXOFYBQSTLCLMM-JQWIXIFHSA-N 319.361 -0.536 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CN([C@H](C)COC)C[C@H]2O)nn1 1077801134 DXYZUKFVLVMVCP-NQBHXWOUSA-N 309.370 -0.726 30 20 DBED C#CCOCCC(=O)N[C@@H](C)CCNC(=O)[C@]1(C)CCNC1=O 1078452845 IWYHOUQHDFCJEV-LRDDRELGSA-N 323.393 -0.437 30 20 DBED C=CCCC(=O)N(CC)C1CN(C(=O)CN2C(=O)CNC2=O)C1 1079473984 ICJUBXCKWWTBJU-UHFFFAOYSA-N 322.365 -0.436 30 20 DBED C[C@@H]1CN([C@H]2CCNC2=O)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 1079588249 CSKOFPYMXIWMRD-WQAKAFBOSA-N 301.350 -0.175 30 20 DBED C#CCOCCC(=O)N(CC)C1CN(C(=O)Cn2ccnc2)C1 1079771021 QMKQGLCGUYMWSO-UHFFFAOYSA-N 318.377 -0.018 30 20 DBED C#CCOCCC(=O)N1CC(N(CC)C(=O)CC(=O)N(C)C)C1 1079800149 RACQHDMDTICOEI-UHFFFAOYSA-N 323.393 -0.436 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CO)(NC(=O)c2cnns2)CC1 1080746446 REPMOGLJTKNIHS-VIFPVBQESA-N 323.378 -0.219 30 20 DBED C#CCCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2cnn(C)c2)C1 1081247489 DPPLNPSPMPLDRO-TZMCWYRMSA-N 318.377 -0.227 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cnn(C)c2)C1 1081248265 NNUKZGYOLXYCKE-YPMHNXCESA-N 306.366 -0.065 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)c2ccn(C)n2)C[C@@H]1O 1081338823 WUCLXSVSVYWQHK-AAEUAGOBSA-N 306.366 -0.065 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cnnn2C)C1 1081445110 QZWPFLTUWWJVMF-YPMHNXCESA-N 319.365 -0.832 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](O)[C@H](CNC(=O)C#CC2CC2)C1 1081470717 DYKXUPVWLULGRW-HUUCEWRRSA-N 302.374 -0.005 30 20 DBED CO[C@@H]1CN([C@@H]2CCNC2=O)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 1081501015 ZHKJRQHPMYKCMI-JHJVBQTASA-N 317.349 -0.796 30 20 DBED C=CCC(CC=C)C(=O)NC[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1O 1081512494 ZFGHIJRWWDZYSQ-CHWSQXEVSA-N 323.393 -0.434 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)Cc2cnoc2)C1 1081677146 MIFKMIZBANAXIU-QWHCGFSZSA-N 323.349 -0.645 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cccnn2)C1 1081686843 BDSOBCFZMSYRKV-OCCSQVGLSA-N 316.361 -0.171 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CCCCN1C(=O)CNC(C)=O 1081844064 YIOJMOYOBGMAHK-AWEZNQCLSA-N 323.393 -0.340 30 20 DBED C[C@@H](C#N)C(=O)N1CCCC[C@H]1CNC(=O)CN1CCOCC1 1082267489 QZIDHKLPQCCOBH-KBPBESRZSA-N 322.409 -0.024 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)Cc1nc(C2CC2)nn1C 1082378825 XRWFOFKITMQUAT-VXGBXAGGSA-N 318.381 -0.426 30 20 DBED C=C(C)CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1nnn(C)n1 1083165859 PGVIWVUSUCVNDK-NWDGAFQWSA-N 306.370 -0.299 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)c2cnc3nccnc3c2)C1 1083531532 UFHNTNKWKVZMMY-KGLIPLIRSA-N 311.345 -0.177 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)c2ccnc(-n3cncn3)c2)C1 1084116380 OBYKZQDOZJVAPB-OLZOCXBDSA-N 314.349 -0.377 30 20 DBED N#CCN1CC[C@@H]2CCN(C(=O)[C@@H]3CCCN3C(N)=O)C[C@@H]21 1085106711 LHKXPKAIOZJXBO-AGIUHOORSA-N 305.382 -0.024 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)Cn1ncnn1)Nc1cnc(C#N)cn1 1089399754 HIBRDLSNOOOTAC-VHSXEESVSA-N 315.341 -0.270 30 20 DBED CCN(c1ccc(C#N)cn1)[C@H](C)CNC(=O)Cn1ncnn1 1089698328 GSAGWZSONRFOQG-LLVKDONJSA-N 314.353 -0.029 30 20 DBED CC#CCN1CC[C@@H](NC(=O)Cn2cccc(C)c2=O)[C@@H](O)C1 1090267207 ZWUNOKZHQOKCGE-CABCVRRESA-N 317.389 -0.269 30 20 DBED CCC[C@@H](OC)C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1O 1090511563 RXCSZCHZCXGAGG-IJLUTSLNSA-N 319.365 -0.171 30 20 DBED CN(C)CCC(=O)N[C@H]1CCN(c2cnc(C#N)cn2)C[C@H]1O 1092172796 HXDGGWWHKXGHSN-QWHCGFSZSA-N 318.381 -0.644 30 20 DBED Cc1cc(=NCCNC(=O)CNC(=O)C2CC2)c(C#N)c[nH]1 1093497595 LJHMSRWSYDPIRL-UHFFFAOYSA-N 301.350 -0.262 30 20 DBED CN1CCCC[C@@H]1C(=O)NCc1cn(C2CN(CC#N)C2)nn1 1094300895 VWOASWRZEPPYKT-CQSZACIVSA-N 317.397 -0.241 30 20 DBED C#CCCN1CC(n2cc(CNC(=O)[C@@H]3[C@H]4COC[C@H]43)nn2)C1 1094311390 WSRCMOSWUFEWEU-FICVDOATSA-N 315.377 -0.333 30 20 DBED N#Cc1nc(=NCCCNC(=O)[C@H]2CCCS2(=O)=O)cc[nH]1 1094445639 KSUHFYWUQAVSQK-SNVBAGLBSA-N 323.378 -0.734 30 20 DBED Cc1c(CC(=O)NCCCN=c2cc[nH]c(C#N)n2)cnn1C 1094621850 HYTFHGYRRWMBDL-UHFFFAOYSA-N 313.365 -0.027 30 20 DBED C=C(C)CN1CC(N2C[C@H](NC(=O)Cc3cc[nH]n3)CC2=O)C1 1094717374 IZKTWIMWYREFDR-CYBMUJFWSA-N 317.393 -0.070 30 20 DBED N#Cc1nccnc1N[C@H]1CCCN(C(=O)CNC(N)=O)C1 1095274126 AQSUGAKZDKPMRY-VIFPVBQESA-N 303.326 -0.581 30 20 DBED CCN(CCCNC(=O)[C@H](C)NC(N)=O)c1cnc(C#N)cn1 1095866135 LDHJVPSDUYKZKW-JTQLQIEISA-N 319.369 -0.262 30 20 DBED CCNC(=O)CC(=O)N[C@H]1CCN(c2cnc(C#N)cn2)C1 1096360185 KBNSLVGRPJLOLV-JTQLQIEISA-N 302.338 -0.431 30 20 DBED CCC(=O)N[C@@H](C)C(=O)N[C@H]1CCN(c2ccnc(C#N)n2)C1 1096494181 GDQAKLVFPIKBQR-QWRGUYRKSA-N 316.365 -0.042 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H](CNC(=O)Cn1nccn1)C1CC1 1096736666 RYMLOWGXPUEWDE-AWEZNQCLSA-N 311.349 -0.026 30 20 DBED N#Cc1nccnc1N[C@H](CNC(=O)[C@@H]1CCNC1=O)C1CC1 1096784204 XHYDLPXCBWNLQR-ZYHUDNBSSA-N 314.349 -0.209 30 20 DBED C#CCCN(CCO)C1CCN(C(=O)c2cnnn2C)CC1 1098360110 XDSSPIYQNLHWQV-UHFFFAOYSA-N 305.382 -0.263 30 20 DBED C[C@@H](CNC(=O)[C@H](C)S(C)(=O)=O)Nc1nccnc1C#N 1098392615 HIOZJIJNUHIEAZ-IUCAKERBSA-N 311.367 -0.302 30 20 DBED Cn1ccnc1CN1CC[C@@H](NC(=O)CSCC#N)[C@H](O)C1 1099690530 PUVCGTDYKAECSL-VXGBXAGGSA-N 323.422 -0.272 30 20 DBED CC1(C)CC(C(=O)N[C@H]2CCN(CC(=O)NCC#N)C[C@@H]2O)C1 1099802571 XSYUUKNLYFZADR-STQMWFEESA-N 322.409 -0.386 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)Cc2n[nH]c(C)n2)[C@H](O)C1 1099809174 DANQSKMNLKZNPU-CHWSQXEVSA-N 323.397 -0.590 30 20 DBED Cn1cc(CN2CC[C@H](NC(=O)C#CC3CC3)[C@@H](O)C2)nn1 1099826020 FHFPTITUMMLTSE-KBPBESRZSA-N 303.366 -0.720 30 20 DBED CC(C)(C)C#CC(=O)N[C@@H]1CCN(CC(=O)NCC#N)C[C@@H]1O 1099827645 YFKOQSBAUFMTGT-OLZOCXBDSA-N 320.393 -0.773 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2coc(OC)n2)[C@@H](O)C1 1099930199 BXTSVODQMCGHQT-AAEUAGOBSA-N 323.349 -0.502 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)C2(CC)CC2)[C@H](O)C1 1099990124 YIYULTLXLIKMGL-QWHCGFSZSA-N 307.394 -0.523 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)COCc2nncn2C)[C@@H](O)C1 1100057983 LNFWCBRWWVSAQG-OLZOCXBDSA-N 323.397 -0.541 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)CCCC(N)=O)[C@@H](O)C1 1100142531 DQTXOLZXYCQZNZ-STQMWFEESA-N 313.398 -0.604 30 20 DBED N#CCNC(=O)CNC1CC(CNC(=O)Cc2ccon2)C1 1100205851 UAGYNIDMTIXPJU-UHFFFAOYSA-N 305.338 -0.659 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CN(C(=O)CSC)C[C@]2(C)C1 1101113986 NUGWPCDHKOQDHL-DOMZBBRYSA-N 309.435 -0.121 30 20 DBED COCC#CCN1C[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@]2(C)C1 1101365689 FELDAJGZCMDHNW-WVZRYYJFSA-N 319.405 -0.462 30 20 DBED CN(CCNc1cnc(C#N)cn1)C(=O)c1cnn(C)c1N 1101579095 NKIHOCUNKFCJCZ-UHFFFAOYSA-N 300.326 -0.152 30 20 DBED C=CCCC(=O)N[C@@H]1CC2(CN(CC(N)=O)C2)n2ccnc21 1101616065 XFBRCJNFOMMRRO-LLVKDONJSA-N 303.366 -0.094 30 20 DBED CC[C@H](CNC(=O)[C@H]1COCCO1)N=c1cc[nH]c(C#N)n1 1103010684 MWUCMNAYXNLANU-GHMZBOCLSA-N 305.338 -0.508 30 20 DBED CC[C@H](CNC(=O)CCCC(N)=O)N=c1cc[nH]c(C#N)n1 1103115597 AXWZNCPGNOAKOL-SNVBAGLBSA-N 304.354 -0.268 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H](C)CNc1nccnc1C#N 1103956731 WAVRHONMNSPXEW-LLVKDONJSA-N 314.349 -0.348 30 20 DBED C[C@@H](CNC(=O)Cn1cnnc1O)CNc1cnc(C#N)cn1 1103958739 ZADOGMSJUMZVMC-SECBINFHSA-N 316.325 -0.490 30 20 DBED C[C@H](CN=c1cc[nH]cc1C#N)CNC(=O)C1(C(N)=O)CC1 1104191563 DPNCPKDTAQJGNK-SNVBAGLBSA-N 301.350 -0.195 30 20 DBED C[C@@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)CNc1cnc(C#N)cn1 1104208819 IRCDBIQSLLLFPW-IEBDPFPHSA-N 302.338 -0.366 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CN(c2ccc(C#N)nn2)CCO1 1104302567 YCLMPIGECRSIPB-CMPLNLGQSA-N 300.322 -0.171 30 20 DBED CC(C)[C@@H](O)C(=O)NC[C@H]1CN(c2cnc(C#N)cn2)CCO1 1104305333 MGTLWOBJHBXAHL-GXTWGEPZSA-N 319.365 -0.313 30 20 DBED C[C@@H](CNc1nccnc1C#N)N(C)C(=O)c1nnn(C)n1 1104765051 WGNDQMNGZFORTO-QMMMGPOBSA-N 301.314 -0.556 30 20 DBED C#CCNCC[C@@H]1CN(C(=O)C2CC(=O)NC(=O)C2)C[C@H]1C 1104788738 QTOATSRSZUTEKC-VXGBXAGGSA-N 305.378 -0.253 30 20 DBED CC#CCNCc1cn(C2CN(C(=O)[C@@H]3COCCO3)C2)nn1 1105165598 SCZCKBDKJADRGD-AWEZNQCLSA-N 319.365 -0.810 30 20 DBED C#CCNCc1cn(C2CN(C(=O)COCCOC)C2)nn1 1105197231 LHZTUDKKZAFJKA-UHFFFAOYSA-N 307.354 -0.953 30 20 DBED C[C@H](NC(N)=O)C(=O)N(C)CCN(C)c1cnc(C#N)cn1 1105380024 VSPZPACJJAVVGL-VIFPVBQESA-N 305.342 -0.700 30 20 DBED N#Cc1cnc(NC[C@H](O)CNC(=O)C2=COCCC2)cn1 1105742972 VIPMMQSFKXZDPF-LBPRGKRZSA-N 303.322 -0.068 30 20 DBED COCCc1nsc(NC[C@H](O)CNC(=O)[C@H](C)C#N)n1 1105773144 CTMSNCYTJMDBDC-RKDXNWHRSA-N 313.383 -0.224 30 20 DBED CC[C@@H](C(=O)NC[C@@H](O)CNc1cncc(C#N)n1)N(C)C 1105925906 JCJLXBKPKKITJV-RYUDHWBXSA-N 306.370 -0.423 30 20 DBED C#CCOCCC(=O)NC[C@@H](O)CNc1cnc(C#N)cn1 1105966957 SDJRBDIBWDEXPC-LBPRGKRZSA-N 303.322 -0.723 30 20 DBED C[C@@H](CCN=c1cc[nH]cc1C#N)NC(=O)[C@@H]1CCNC1=O 1106516486 UYWGBANYYFLAOR-CMPLNLGQSA-N 301.350 -0.182 30 20 DBED C[C@H](C#N)C(=O)NC[C@@]1(C)CN(Cc2ncnn2C)CCO1 1107821741 UQZRKSXBLVCRQS-RISCZKNCSA-N 306.370 -0.318 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)[C@H]1CCNC(=O)C1 1108335784 VRSUVCPCJCBAOO-UWVGGRQHSA-N 302.338 -0.787 30 20 DBED C#CCCN1CCO[C@](C)(CNC(=O)COCCN(C)C)C1 1108342923 KRDKQLVWAOZGSY-MRXNPFEDSA-N 311.426 -0.205 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)CCc3ncc[nH]3)CC2=O)C1 1108539071 UYDJTZTXWOEKBE-GFCCVEGCSA-N 317.393 -0.070 30 20 DBED C#CCOCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1109273106 XEBCABVMASDZPT-RDBSUJKOSA-N 318.377 -0.612 30 20 DBED N#Cc1ccc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)CCn2ccnn2)nn1 1109698069 WIGUUAHDHKLDNS-GMXABZIVSA-N 324.348 -0.277 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cnon1 1109864970 DHMSQQKNCKZJLR-SCVCMEIPSA-N 303.322 -0.846 30 20 DBED CNC(=O)NCC(=O)N[C@H](CNc1nccnc1C#N)C1CC1 1110005066 ICKNYEXUSRSLDO-LLVKDONJSA-N 317.353 -0.416 30 20 DBED Cc1cc(=NC2(CNC(=O)CS(C)(=O)=O)CC2)c(C#N)c[nH]1 1110073880 RMMKQAWHINDNGD-UHFFFAOYSA-N 322.390 -0.211 30 20 DBED C[C@@]1(CNC(=O)C(N)=O)CCCN(c2ccc(C#N)nn2)C1 1110953594 JJEHZIZNMUKORQ-AWEZNQCLSA-N 302.338 -0.444 30 20 DBED CNC(=O)CC(=O)N[C@H]1CCN(c2cnc(C#N)cn2)C[C@@H]1C 1112400597 ORDXEELFSNUWST-JQWIXIFHSA-N 316.365 -0.185 30 20 DBED CC(C)OCC(=O)NC[C@H]1CN(c2ccc(C#N)nn2)C[C@H]1O 1112709409 JAKABGBWOPSOFV-WCQYABFASA-N 319.365 -0.313 30 20 DBED CN(C)CCC(=O)NC[C@H]1CN(c2ccncc2C#N)C[C@H]1O 1112756029 SYBLCEPQYNKTCK-DZGCQCFKSA-N 317.393 -0.182 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)Cn2ccc(C)n2)CC1 1113355859 TYTSSHOLXKWOKU-AWEZNQCLSA-N 317.393 -0.526 30 20 DBED CCSCCC(=O)NC1[C@H]2CN(CC(=O)NCC#N)C[C@H]12 1113942325 LZZKJIVDMNOZSX-QWRGUYRKSA-N 310.423 -0.184 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)c3nnn(C)c3C)[C@H]2C1 1114091397 VZKQLTJHLDLNJQ-IMRBUKKESA-N 303.366 -0.567 30 20 DBED C=CCOCCN1C[C@H]2C(NC(=O)[C@H]3CCCC(=O)N3)[C@@H]2C1 1114445720 WAZVWCJLMQFFFQ-JHJVBQTASA-N 307.394 -0.096 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)[C@H](C)S(C)(=O)=O)[C@@H]2C1 1114475557 XDIDDTVNSDOJAQ-QJPTWQEYSA-N 314.407 -0.884 30 20 DBED C=CCOCCN1C[C@H]2[C@H](NC(=O)[C@]3(C)CNC(=O)C3)[C@H]2C1 1114602130 JFJWRJWDTBKTPY-DMEJVMROSA-N 307.394 -0.238 30 20 DBED Cc1nc(C(=O)N[C@H]2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]32)cs1 1114731276 RPVCRIBRKQRIFE-IWIIMEHWSA-N 319.390 -0.249 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)[C@@H]3CCC(=O)N(C)C3)[C@H]2C1 1115300397 RDAMVAQIQQXUSV-NYTXWWLZSA-N 319.405 -0.449 30 20 DBED N#Cc1cnc(N[C@H](CO)CNC(=O)C[C@@H]2COC(=O)C2)cn1 1121304793 ZAMVDMXNTZJGRN-ONGXEEELSA-N 319.321 -0.810 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)CN2CCCC2)nn1 1121581460 PRTVBYKGLYLJBP-GFCCVEGCSA-N 304.354 -0.667 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)[C@@H]2CCC(=O)N2)cn1 1121818166 HHILZMRTRNGGSI-NEPJUHHUSA-N 303.322 -0.879 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)CCn2ccnc2)nn1 1122378812 MUNFQKFTOKGLHP-GFCCVEGCSA-N 315.337 -0.476 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@H](CO)Nc1cc(C)ncn1 1122769388 IWYLZLCLGCKBCO-KBPBESRZSA-N 317.393 -0.228 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)[C@@H](C)OCC 1123974290 KLJSLWZJPNRZQK-GHMZBOCLSA-N 314.386 -0.483 30 20 DBED Cc1nc(C(=O)N(C)C[C@@H](O)CN=c2cc[nH]c(C#N)n2)co1 1124255961 BKUGCTYGCFIGDB-JTQLQIEISA-N 316.321 -0.388 30 20 DBED CN(C)C(=O)CC(=O)N(C)C[C@H](O)CNc1cncc(C#N)n1 1124797672 GWYMIHUZBXBKCG-LLVKDONJSA-N 320.353 -0.942 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@H]1C[C@H]2CCCCN2C1 1127255680 KQTISTTVGNIDRL-UONOGXRCSA-N 308.426 -0.131 30 20 DBED CCOCCC1(C(=O)NCCNCC(=O)NCC#N)CCC1 1127379515 LJPRKTDSERHQHM-UHFFFAOYSA-N 310.398 -0.071 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1 1129060113 KZNFHXXOYIMQIL-ILXRZTDVSA-N 318.425 -0.161 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)[C@]2(C)CCNC(=O)C2)C1=O 1130205105 GSXLIYOQLWKXBL-BLLLJJGKSA-N 322.409 -0.605 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@H]2C[C@@H]3CN(CCO)C[C@]2(C1)O3 1131231215 WQGQKCNUKVLBRD-IXYNUQLISA-N 308.378 -0.681 30 20 DBED C=CCC[C@@H](C)N1CCNC(=O)CCN(C(=O)CC(N)=O)CC1 1131342201 OVZQDIPQAXVMML-CYBMUJFWSA-N 324.425 -0.133 30 20 DBED C#CCOCCC(=O)N[C@@H]1CC[C@@H](C)N(Cc2nnn(C)n2)C1 1132030886 ZTIJSZDGCIMBNZ-CHWSQXEVSA-N 320.397 -0.281 30 20 DBED C=CCNC(=O)CN1C[C@H](NC(=O)CC(=O)N(C)C)CC[C@@H]1C 1132346256 WRELKQNBKJTKPP-QWHCGFSZSA-N 324.425 -0.264 30 20 DBED C[C@H]1CC[C@@H](NC(=O)CCCC(N)=O)CN1CC(=O)NCC#N 1132536541 CDBVKLRWCBZMCA-NWDGAFQWSA-N 323.397 -0.749 30 20 DBED C=CCNC[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)CC[C@@H]1C 1132928657 SYLLGFFUNUEBMZ-QWHCGFSZSA-N 307.398 -0.158 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)CC[C@H]1C 1132931715 CIOUYMIINKGTIA-ZIAGYGMSSA-N 319.409 -0.321 30 20 DBED C=CCCC(=O)N[C@@H](C)C[C@H](C)NCC(=O)N1CCNC(=O)C1 1133888380 IYYITURWOFYNIG-STQMWFEESA-N 324.425 -0.216 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)Cc1cnn(C)c1)NCC(=O)NCC#N 1133897327 SVLOGSADHDKNFL-NWDGAFQWSA-N 320.397 -0.525 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)CC1(O)CCC1)NCC(=O)NCC#N 1134348868 OPYAUEHMTBUTES-NWDGAFQWSA-N 310.398 -0.196 30 20 DBED Cc1ncc(C(=O)N[C@H](C)C[C@H](C)NCC(=O)NCC#N)n1C 1135301853 BACFRGQNTJKQDV-WDEREUQCSA-N 320.397 -0.145 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)CCc1cn[nH]c1 1135652309 YPNDXADCVGAVCF-QWHCGFSZSA-N 319.409 -0.035 30 20 DBED C=CCNC(=O)CNCCNC(=O)C(=O)N1[C@@H](C)CCC[C@H]1C 1135911230 ZBTDAQVROWGBRW-BETUJISGSA-N 324.425 -0.216 30 20 DBED COCC#CCN1CCC2(C1)CN(C(=O)[C@H]1CCN(C)C1=O)C2 1148096192 XMYSCCCUWHKFGO-AWEZNQCLSA-N 319.405 -0.351 30 20 DBED C[C@H]1CN(C(=O)CNCCCNC(=O)C#CC2CC2)CCO1 1157682689 MLSVBIJPYJJNBH-ZDUSSCGKSA-N 307.394 -0.257 30 20 DBED C=C(C)CN(CC)C(=O)CNCCCNC(=O)Cn1nccn1 1158921386 JHGPMOHZXOQMID-UHFFFAOYSA-N 322.413 -0.201 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)[C@@H](C1CC1)N(C)C 1159932981 XGLADDZBNSDWHK-TZMCWYRMSA-N 308.426 -0.440 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)[C@]1(C)CCNC(=O)C1 1160897064 MHZMWIVVKZOIFU-BLLLJJGKSA-N 322.409 -0.864 30 20 DBED CC#CCN1CC=C(CCNC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 1161343385 BDXSDISSKCVXAW-ZDUSSCGKSA-N 318.377 -0.254 30 20 DBED CNC(=O)NCC(=O)NCC1(COC)CCN(CC#N)CC1 1162295740 JCZNJNNTUWDMGT-UHFFFAOYSA-N 311.386 -0.716 30 20 DBED C#CCOCCC(=O)NCCC1(CNCC(=O)NC(N)=O)CC1 1164504977 OLDHSMBXXVVPRI-UHFFFAOYSA-N 324.381 -0.903 30 20 DBED C[C@H](CCCCNCC(=O)NC(N)=O)NC(=O)C#CC1CC1 1170673953 JQEZDKDTPYLGCE-LLVKDONJSA-N 308.382 -0.141 30 20 DBED C#CCNC(=O)CN1CCO[C@@H]2CCN(C(=O)C(F)F)C[C@@H]21 1176870410 GANSTUDKDRVIFO-WDEREUQCSA-N 315.320 -0.697 30 20 DBED CN(C)CCC(=O)NCCCCCCNCC(=O)NCC#N 1179461688 WVAWTOSFGVLPQG-UHFFFAOYSA-N 311.430 -0.156 30 20 DBED N#CCNC(=O)CN[C@@H]1CCN(C(=O)c2ccnc(F)c2)C1 1181413277 YKPGMFXYCGCVQA-LLVKDONJSA-N 305.313 -0.335 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)CNC(=O)CC)C1 1181690890 VOPPTWOEJZNWLM-VXGBXAGGSA-N 310.398 -0.606 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2cnn(CC)n2)C1 1182329908 VYLAIXIFXNFVSX-VXGBXAGGSA-N 320.397 -0.207 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)C[C@@H]2CCC(=O)NC2)C1 1183214711 URYGJORXSKEPGY-UONOGXRCSA-N 307.394 -0.257 30 20 DBED C=CCOCC(=O)N1CC[C@H](CNCc2nnn(C)n2)[C@@H](C)C1 1184087757 FMFHHDODAAEFDN-QWHCGFSZSA-N 322.413 -0.013 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)[C@@H]2CCCCN2C)C1 1184962491 ZLWIHCZRPBXAEV-KFWWJZLASA-N 320.437 -0.201 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](CNCC(N)=O)C2(CCOCC2)C1 1186311462 UCEJFFLZOZPIAK-NWDGAFQWSA-N 308.382 -0.524 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)Cc2cncs2)C1 1190788686 KJGFPXJXFRMCBG-GFCCVEGCSA-N 320.418 -0.032 30 20 DBED Cc1nc([C@H](C)N2C[C@@H](O)[C@H](NC(=O)C#CC3CC3)C2)n[nH]1 1192820878 CXTJXUWIUFWASD-ZWKOPEQDSA-N 303.366 -0.251 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)[C@H]2CCC(=O)N2)CC1 1195245811 PDDFNNMTVJDWDA-GFCCVEGCSA-N 308.382 -0.899 30 20 DBED C[C@@H](C#N)C(=O)N1CCCN(CC(=O)NC[C@@H]2CCOC2)CC1 1195321812 PUGNJQNAYHJSMZ-KBPBESRZSA-N 322.409 -0.167 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)C[C@@H]2COC(=O)C2)CC1 1195480595 KUIDZWJAJBHBKV-ZDUSSCGKSA-N 323.393 -0.224 30 20 DBED COCC#CCN1CCCN(C(=O)c2ccc(C(N)=O)[nH]2)CC1 1197165991 NNZYNNAKBLZVRR-UHFFFAOYSA-N 318.377 -0.089 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)[C@@H]2CCN(C)C2)CC1 1198097816 INUHYZJCXOCOIU-CQSZACIVSA-N 308.426 -0.225 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@H](C)NC(=O)C2CCCCC2)C1 1198991380 ZZSRLWYHSHPUSL-NWANDNLSSA-N 321.421 -0.134 30 20 DBED C=CCOCC(=O)N1CCCO[C@@H](CNCC(=O)NCC)C1 1200109002 MSFNLABUYYGRCW-ZDUSSCGKSA-N 313.398 -0.468 30 20 DBED COCC#CCNC[C@H]1CN(C(=O)Cc2ncc[nH]2)CCCO1 1201727372 WMXIWFATEANLBJ-AWEZNQCLSA-N 320.393 -0.191 30 20 DBED C#CCCNC1CCN(C(=O)CCCS(N)(=O)=O)CC1 1202251652 RPZIJLCWEVRVSY-UHFFFAOYSA-N 301.412 -0.341 30 20 DBED CC#CCN[C@@H]1C[C@H](NC(=O)CN2CCOCC2=O)C12CCC2 1203036004 IWFSXSPVRUUWSQ-KGLIPLIRSA-N 319.405 -0.115 30 20 DBED CC#CCN[C@H]1C[C@@H](NC(=O)Cn2c(O)nnc2O)C12CCC2 1203662283 ZKTRNOUIZSFJJL-WDEREUQCSA-N 319.365 -0.270 30 20 DBED COCCS(=O)(=O)CC(=O)N[C@@H]1CN(CC#N)C[C@H]1C 1207727690 HCPJNHQBEPEKOC-GHMZBOCLSA-N 303.384 -0.992 30 20 DBED C=CCN1CC[C@@H](N[C@@H]2CCCN(C(=O)CC(=O)NC)C2)C1=O 1207902583 PAAKWAFJGVFSJB-CHWSQXEVSA-N 322.409 -0.510 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC[C@@H](NCC(=O)NCC#N)C1 1208018416 OSNIMLDICRIIQO-QWHCGFSZSA-N 306.366 -0.755 30 20 DBED C=CCN[C@@H]1CCCN(C(=O)CN(C)S(=O)(=O)N(C)C)C1 1208037799 AOZCHSQXKDMDSO-GFCCVEGCSA-N 318.443 -0.509 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)Cn2cccn2)[C@H](OC)C1 1211845401 WIADHJCNOJMMQU-CHWSQXEVSA-N 321.381 -0.999 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](NCC(=O)NC(=O)NC2CC2)[C@H](C)C1 1214338678 XGOFNEBTZGDKNR-CKYFFXLPSA-N 321.381 -0.429 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)Cc2cncnc2)C[C@H]1C 1214516730 YQCDWHZNVYDWQB-TZMCWYRMSA-N 315.377 -0.795 30 20 DBED C[C@@H](C(=O)N1CCO[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21)C1CC1 1217601397 SZGIAZUGBMPNRA-KWCYVHTRSA-N 320.393 -0.416 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)COCCC)C1 1219318477 SVOLPVYWZPSUNH-UPJWGTAASA-N 313.398 -0.735 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)Cc2cnn(CC)c2)C1 1220737882 DTLPKOSWTFSTPL-CABCVRRESA-N 322.409 -0.191 30 20 DBED CNC(=O)NC(=O)CN1CC[C@@H]2CN(C(=O)[C@@H](C)C#N)[C@@H]2C1 1221446580 NKWOHSZTNQDRBR-HBNTYKKESA-N 307.354 -0.866 30 20 DBED COCC#CCN1CC[C@@H]2CN(C(=O)c3cnnc(O)c3)[C@@H]2C1 1221632076 HDRMCTCVEURFSE-TZMCWYRMSA-N 316.361 -0.022 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)[C@@H](C)CC(N)=O)CC1 1224043426 VMGRFMFAUCYRFL-LBPRGKRZSA-N 322.409 -0.925 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CNC(=O)CC 1225378161 JWDBTUIMHLMJNN-CHWSQXEVSA-N 324.425 -0.168 30 20 DBED C#CCOCCC(=O)N(C)C[C@H]1CCN1[C@@H](C)C(=O)NC(N)=O 1234246516 PKRPPTDQDGVBBK-NWDGAFQWSA-N 324.381 -0.858 30 20 DBED CC#CC[C@H](CO)NC(=O)NCCN/C(O)=C1/N=CC=CC1=O 1261452740 LADMYWYNJLQSFH-LYZGCBJASA-N 320.349 -0.414 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CC[C@@H](N2CCOC2=O)C1 1261710582 CUBVSMLAQXIASM-GHMZBOCLSA-N 311.338 -0.643 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@H](NCC(=O)N(C)C2CC2)C1 1265429446 YMUXULPMKOWHAS-STQMWFEESA-N 307.394 -0.164 30 20 DBED C=CCN(C(=O)C(=O)N[C@@H]1CCCS(=O)(=O)C1)C1CC1 1322775820 YYNLMXUVKJJUJH-SNVBAGLBSA-N 300.380 -0.143 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N(C)CC(C)(C)OC)nn1 1326718836 SBIUMXPXUWSPLT-UHFFFAOYSA-N 309.370 -0.036 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CC[C@@](O)(CC#N)C1)[C@H]1CCCO1 1332244539 VFLHXASEHKQQSQ-ZOWXZIJZSA-N 305.334 -0.840 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)N2CCc3ncncc3C2)CCO1 1335130052 JELISYKURASVJS-NSHDSACASA-N 301.306 -0.888 30 20 DBED C=CCn1c(C[C@@H](C)O)nnc1N1CCO[C@H](CNC(C)=O)C1 1342132151 SVEWTELHRLOHAW-DGCLKSJQSA-N 323.397 -0.271 30 20 DBED N#C[C@@]1(F)CCN(C(=O)C(=O)NC[C@H]2CC(=O)N(C3CC3)C2)C1 1346251199 GDPSLNUCIXUNQL-BMIGLBTASA-N 322.340 -0.422 30 20 DBED C=CCCOCCNC(=O)C(=O)NC[C@@]1(OC)CCOC1 1346894267 MRBCBDHROWYJHR-AWEZNQCLSA-N 300.355 -0.383 30 20 DBED CCOC(=O)C[C@@H](C)NC(=O)CCn1cc(C#N)c(O)nc1=O 1362655345 SWKMYRCDZDTXAL-SECBINFHSA-N 322.321 -0.331 30 20 DBED N#Cc1cn(CCNC(=O)CC[C@@H]2CCOC2)c(=O)nc1O 1362684891 ARHCZUWNPTWWKB-SNVBAGLBSA-N 306.322 -0.247 30 20 DBED CCc1nn(C)cc1C(=O)NCCn1cc(C#N)c(O)nc1=O 1362691558 YREPYYPFCVIQOU-UHFFFAOYSA-N 316.321 -0.454 30 20 DBED C[C@@H](C(=O)N1CC[C@H]2COC(=O)N[C@@H]2C1)n1cnc(C#N)n1 1363205519 YXEBNKPKKHJTED-LPEHRKFASA-N 304.310 -0.332 30 20 DBED COC(=O)C1(C#N)CCN(CCC(=O)N2CCN(C)CC2)CC1 1363786897 ITNKPSWOMZZQNO-UHFFFAOYSA-N 322.409 -0.071 30 20 DBED CNC(=O)c1nn[nH]c1NC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1365082060 CDTWFMSRPUYPCK-VIFPVBQESA-N 318.341 -0.632 30 20 DBED N#C[C@H]1CN(S(=O)(=O)N[C@H](CO)c2cccnc2)CCO1 1365721247 WZOPATPEYNRWFM-NWDGAFQWSA-N 312.351 -0.826 30 20 DBED N#Cc1ccccc1CNC1(CNC(=O)Cn2cnnn2)CC1 1367975858 DQKCMQZZEPIHGP-UHFFFAOYSA-N 311.349 -0.017 30 20 DBED C=C(Cl)CNC[C@H](O)CNC(=O)c1cnc2[nH]nnc2c1 1374614821 IIHZNDUCQVHHTL-VIFPVBQESA-N 310.745 -0.214 30 20 DBED C=C(Br)CNC[C@H](O)CNC(=O)Cc1ncc[nH]1 1379255733 HYJVIZMNISBYTQ-VIFPVBQESA-N 317.187 -0.073 30 20 DBED C[C@H](C#N)C(=O)NCCN1CCN(C(=O)[C@H]2CCCO2)CC1 1385534977 DZEBKGNBGXECJC-CHWSQXEVSA-N 308.382 -0.415 30 20 DBED Cc1ncnc(O)c1CCC(=O)N1CC(NC(=O)[C@H](C)C#N)C1 1389410820 SABKYUMWKYSHQL-SECBINFHSA-N 317.349 -0.090 30 20 DBED CCCNC(=O)CN(CCO)C1CCN(C(=O)[C@H](C)C#N)CC1 1397282187 JUHABEMNKGKMKE-CYBMUJFWSA-N 324.425 -0.042 30 20 DBED C[C@@H](CNC(=O)c1cnn(C)n1)NC(=O)c1ccc(C#N)[nH]1 1408240009 ZPNQKQQRNYSERO-QMMMGPOBSA-N 301.310 -0.437 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@](C)(NC(=O)CCNC(N)=O)C1CC1 1409501754 AKMJRODNXSNYJH-LKFCYVNXSA-N 309.370 -0.394 30 20 DBED CN(Cc1cnccn1)C(=O)Cn1cc(C#N)c(O)nc1=O 1412578039 OUFDXXFFGYVRKK-UHFFFAOYSA-N 300.278 -0.731 30 20 DBED C[C@H]1[C@H](N(C)C)CCN1C(=O)CCn1cc(C#N)c(O)nc1=O 1417881232 HXSHIBRYZDCJTG-CMPLNLGQSA-N 319.365 -0.238 30 20 DBED CC(=O)NCC(=O)N1CCC[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 1446836815 YVKDYYYQKICUMM-LBPRGKRZSA-N 317.349 -0.257 30 20 DBED CO[C@@H]1C[C@H](NC(=O)Cn2cc(C#N)c(O)nc2=O)C12CCC2 1451110073 UOAHXCMDKLBKOG-WDEREUQCSA-N 318.333 -0.106 30 20 DBED C[C@H](C#N)C(=O)NCC1CN(C(=O)CCN2CCCC2=O)C1 1456584837 LXKRZSCRQNJDEP-LLVKDONJSA-N 306.366 -0.267 30 20 DBED C=C(C)Cn1c(CCOC)nnc1N1CCO[C@H](C(=O)NC)C1 1515999759 XBXVZJMNUKLZLY-LBPRGKRZSA-N 323.397 -0.006 30 20 DBED C#CCOCCC(=O)NCC1[C@H]2CN(C(=O)CNC(=O)O)C[C@H]12 1573310904 DPMJBIGOWUYMFN-VXGBXAGGSA-N 323.349 -0.886 30 20 DBED CC(=O)N1CCN(c2cnc(C#N)c(-c3nn[nH]n3)n2)[C@H](C)C1 1573451671 XUTNQEJFQVJXOK-MRVPVSSYSA-N 313.325 -0.415 30 20 DBED C=CCCN1CC(CCO)(NC(=O)[C@H](C)OCc2cnn[nH]2)C1 1575096969 DFTQSQHOWKWEQA-LBPRGKRZSA-N 323.397 -0.161 30 20 DBED CCOC(=O)CON=C(C(=O)N(C)C[C@H](C)N)c1cc[nH]n1 1577954079 BHKYTBMPINMUAQ-VIFPVBQESA-N 311.342 -0.501 30 20 DBED N#C[C@H]1CNC[C@@H]1NC(=O)Cc1csc(N2CCOCC2)n1 1580043101 HZNRHPSMMSUMDD-JQWIXIFHSA-N 321.406 -0.250 30 20 DBED N#Cc1nc(NC2CCC(C(N)=O)CC2)cnc1-c1nn[nH]n1 1581880757 UTIHXSUCRQJQRH-UHFFFAOYSA-N 313.325 -0.016 30 20 DBED COC[C@@H](C#N)OC(=O)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 1591367826 RYSVHMZBSREFOS-MNOVXSKESA-N 303.278 -0.018 30 20 DBED C[C@@H](CC(=O)O)N1CCN(C(=O)C#CC2CCNCC2)CC1 1592406163 NQTLYCUVFGIFKM-ZDUSSCGKSA-N 307.394 -0.003 30 20 DBED O=C(Nc1ccnc(-c2nn[nH]n2)c1)N[C@@H]1CCCN(O)C1=O 1593256127 NMVZVOGCLIAMRB-MRVPVSSYSA-N 318.297 -0.237 30 20 DBED CC[C@H](C)[C@H](NC(=O)CCn1cc(C#N)c(O)nc1=O)C(=O)O 1593609683 ZBQHDQLODMAUID-KWQFWETISA-N 322.321 -0.174 30 20 DBED N#CCN1CCC(NC(=O)C(=O)N2CCC[C@H](C(=O)O)C2)CC1 1601073121 CNWHGCDIZVPCTI-NSHDSACASA-N 322.365 -0.586 30 20 DBED C#CCN(CC(=O)O)C(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O 1602682913 WMAZRLKYXDCKDE-QWRGUYRKSA-N 306.318 -0.292 30 20 DBED C#CCN(CC1CC1)C(=O)[C@@H](C)n1cnc(-c2nn[nH]n2)n1 1602717777 AOTRKWJSHTULAJ-SECBINFHSA-N 300.326 -0.109 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CN(c2ccnc(C(=O)O)n2)CCO1 1603129173 BELPUKUQVYGLCF-VHSXEESVSA-N 319.321 -0.344 30 20 DBED Cn1c(O)c(C(=O)/C=C/c2cc(C(=O)O)co2)c(=O)n(C)c1=O 1608091613 OUYKFOPHKWVEJZ-ONEGZZNKSA-N 320.257 -0.023 30 20 DBED Cn1c(NCc2nc(C(=O)O)co2)c(C#N)c(=O)n(C)c1=O 1608091614 OWXIUKSMCMPHPQ-UHFFFAOYSA-N 305.250 -0.746 30 20 DBED N#Cc1cn(CC(=O)N[C@@H]2CCC[C@H]2CC(=O)O)c(=O)nc1O 1608223519 XNIYFJPEBOZAGP-WCBMZHEXSA-N 320.305 -0.420 30 20 DBED O=C(O)[C@@H]1C[C@H](O)CN(C(=O)c2cccc(C#CCO)c2)C1 1608602690 VPVFFDMRHOPWCY-KGLIPLIRSA-N 303.314 -0.062 30 20 DBED C#C[C@@H](Nc1c(-c2nn[nH]n2)c(=O)n(C)c(=O)n1C)C(C)C 1609020179 UGYYLNVBJPWZEX-MRVPVSSYSA-N 303.326 -0.666 30 20 DBED N#CCNC(=O)CNC[C@@H]1CCCCN1C(=O)[C@@H]1[C@H]2COC[C@H]21 1731548771 WXTPOGRAQHXAQD-RMRHIDDWSA-N 320.393 -0.511 30 20 DBED COCC#CCN[C@H](CNC(=O)C[C@@H]1CC(=O)NC1=O)C1CC1 1752497870 ONPYHUQEFHAABV-CHWSQXEVSA-N 321.377 -0.827 30 20 DBED CNC(=O)C1(C(=O)N2CCC[C@@H](CNCC#CCOC)C2)CC1 1752810074 ZTSFOWFGJPGAQF-AWEZNQCLSA-N 321.421 -0.009 30 20 DBED C=CCNC(=O)CN(C)CCNC(=O)Cn1nc(C)cc1C 1753054609 RWYNHCOXSUVGOO-UHFFFAOYSA-N 307.398 -0.150 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)CCNC[C@H]1CCNC(=O)CC1 1753189877 YNVVJESMWDJFJE-UONOGXRCSA-N 309.410 -0.011 30 20 DBED C=CCNC(=O)CN1CC[C@@H](N(C)C(=O)c2nccnc2N)C1 1753433212 DNCTWNPKOGMPIF-LLVKDONJSA-N 318.381 -0.493 30 20 DBED N#CCNC(=O)CNC[C@H](O)CNC(=O)C1(C(F)F)CCC1 1753925452 LRANOKRKOVJEGN-VIFPVBQESA-N 318.324 -0.872 30 20 DBED C#CCNC(=O)CNC[C@H](O)CNC(=O)c1nc(C)c(C)s1 1753938514 YMVOPZIKQVSYDI-NSHDSACASA-N 324.406 -0.810 30 20 DBED C#CCNC(=O)CNC[C@@H]1CCCN1C(=O)c1ccc(C)nn1 1754611033 XLNDBENGKFVHAM-ZDUSSCGKSA-N 315.377 -0.271 30 20 DBED COCC#CCN1CC2(C[C@H](NC(=O)c3ccn(C)n3)CO2)C1 1755065343 JITWGJYWKPNBKB-ZDUSSCGKSA-N 318.377 -0.357 30 20 DBED C=CCOCCN[C@@]1(CO)CCCN(C(=O)c2cnn[nH]2)C1 1755085415 FSFXIBIWPXTAJC-AWEZNQCLSA-N 309.370 -0.436 30 20 DBED C[C@H]1CN(C(=O)CCS(=O)(=O)N(C)C)C[C@@H]1NCC#N 1755120866 BENMZTWMMFGZAO-QWRGUYRKSA-N 302.400 -0.772 30 20 DBED C#CCN1CC(CCO)(NC(=O)CC[C@@]2(C)CCC(=O)N2)C1 1755344092 KYCKKNDUVYPJPQ-OAHLLOKOSA-N 307.394 -0.379 30 20 DBED C#CCNCCCOCCNC(=O)[C@@H]1Cc2cncn2C(=O)N1 1755553562 LAFJPPMDCDXKJH-ZDUSSCGKSA-N 319.365 -0.889 30 20 DBED C#CCNC(=O)CN[C@@H](CO)CNC(=O)c1ccccc1OC 1755645583 UJVHGDRNEDYEQJ-GFCCVEGCSA-N 319.361 -0.875 30 20 DBED CN(Cc1ccc(C#N)cc1)C[C@@H](O)CN(C)C(=O)CC(N)=O 1755798856 BWSHJWNEJAFESS-CQSZACIVSA-N 318.377 -0.315 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1CC(NC(=O)c2cnn[nH]2)C1 1755939624 YWMRLLABZGHHEM-WHXUTIOJSA-N 305.338 -0.532 30 20 DBED C[C@H](NC(=O)C#CC(C)(C)C)[C@H]1CN(C(=O)CC(N)=O)CCO1 1756219388 XPVCGZHNLWESJR-NWDGAFQWSA-N 323.393 -0.357 30 20 DBED C#CCOCCC(=O)N[C@@H](C)CN(C)C(=O)Cc1cc[nH]n1 1756440699 DKXZDQVUQCMECC-LBPRGKRZSA-N 306.366 -0.045 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@H](CO)CNC(=O)Cn1cncc1C 1756537794 YBFLQYRTOBTSRS-SWLSCSKDSA-N 324.381 -0.888 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H](O)CN(C)C(=O)c1cnn(C)c1 1756649152 HBLJGCPZGGDKDM-YPMHNXCESA-N 322.365 -0.993 30 20 DBED C=CCCOCC(=O)N1C[C@H](O)[C@H](NC(=O)c2cc[nH]n2)C1 1757157017 PYZMJVSWAYXXPC-NEPJUHHUSA-N 308.338 -0.696 30 20 DBED CNC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(C#N)nc2)CCO1 1771648045 XVPOPODTFUNYRZ-NSHDSACASA-N 310.335 -0.911 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)n1ccnc1)CCO2 1783046410 NTLUXLYHRWCLSQ-CZUORRHYSA-N 316.361 -0.093 30 20 DBED C=CCC(=O)N1CCO[C@@]2(CCN(C(=O)CCC(N)=O)C2)C1 1783160069 YLRKSPBQFMYXBV-OAHLLOKOSA-N 309.366 -0.342 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(O)O 1792897100 CUHCFILFIKKVJX-WISYIIOYSA-N 312.366 -0.474 30 20 DBED C=CCOCCCC(=O)N1CCCC12CN(C(=O)[C@@H](N)CN)C2 1841604966 HTAIQOLQJKIFOV-ZDUSSCGKSA-N 324.425 -0.541 30 20 DBED CCN(CCC#N)C(=O)CN1CCCN(S(C)(=O)=O)CC1 76872953 ZKQCOUCJGNWAFG-UHFFFAOYSA-N 316.427 -0.284 30 20 DBED C#CCN(CC#C)C(=O)[C@@H]1CC[C@@H](C(=O)N(CC#C)CC#C)O1 190012349 DITLQIAHEAQPOY-HOTGVXAUSA-N 310.353 -0.276 30 20 DBED C[C@@H](NC(=O)CN1CCO[C@@H](C#N)C1)C(=O)N1CCCCC1 246932813 AVFVPYIDSQAFGF-OLZOCXBDSA-N 308.382 -0.272 30 20 DBED CC(=O)NCCN([C@@H](C)C(=O)O)S(=O)(=O)CCCC#N 262453788 RIDAOGBAVMWZNT-VIFPVBQESA-N 305.356 -0.469 30 20 DBED CN1CCC[C@@H](CN(C)c2c(C#N)c(=O)n(C)c(=O)n2C)C1 265186405 GDLPNIVJIAUNAI-LLVKDONJSA-N 305.382 -0.266 30 20 DBED C[C@@H]1CCC[C@@](C#N)(NC(=O)CN2C(=O)C(=O)N(C)C2=O)C1 265386837 RQRMDVJLOJQOQL-YMTOWFKASA-N 306.322 -0.004 30 20 DBED Cn1c(NCCCNC(=O)C2CCC2)c(C#N)c(=O)n(C)c1=O 267623083 IIUIPEOBFDZPRC-UHFFFAOYSA-N 319.365 -0.326 30 20 DBED Cn1c(NCCCO[C@H]2CCOC2)c(C#N)c(=O)n(C)c1=O 268206776 HJKPEGXIUJYCBO-JTQLQIEISA-N 308.338 -0.437 30 20 DBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCCO 269098080 NRVLZONBNGHGJN-SNVBAGLBSA-N 311.363 -0.276 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCc2cn(C)nc2C)C1=O 273337464 KEQUHOVTHVQAIC-UHFFFAOYSA-N 319.321 -0.678 30 20 DBED C=CCNC(=O)CNC(=O)N1C[C@H](N2CCOCC2)C[C@@H]1C 287045169 TUBSKGPIJXUJFE-QWHCGFSZSA-N 310.398 -0.207 30 20 DBED C[C@@H](NC(N)=O)C(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 292362343 YBBPMZWTKJZOAZ-MWLCHTKSSA-N 303.322 -0.010 30 20 DBED COC(=O)CCNC(=O)Cn1cc(C(=O)OC)cc(C#N)c1=O 298135091 MHOJKEGBRGUJML-UHFFFAOYSA-N 321.289 -0.814 30 20 DBED CN1CC[C@H](N/C(O)=N/C[C@H]2CCCCS2(=O)=O)C1=O 329626714 GTLJTECNNXBVGA-ZJUUUORDSA-N 303.384 -0.312 30 20 DBED CN(C)C(=O)[C@@H]1CC[C@H](C/N=C(/O)CN2CCOCC2=O)O1 329865033 TWTLCECVRRIPPT-MNOVXSKESA-N 313.354 -0.563 30 20 DBED CCS(=O)(=O)N(C)CCC/N=C(/O)N1CCO[C@H](C#N)C1 330657585 POEMRAUKKJNWOV-LLVKDONJSA-N 318.399 -0.204 30 20 DBED C[C@H](N/C(O)=N/CCNS(=O)(=O)N(C)C)[C@H]1CCCO1 331251414 ZWWJCMAKURMAIL-VHSXEESVSA-N 308.404 -0.547 30 20 DBED C=CCCOCCNC(=O)C(=O)N(C)[C@@H](C)CS(C)(=O)=O 342001572 IXONFFWFUZIYFQ-NSHDSACASA-N 320.411 -0.413 30 20 DBED CC#CCNC(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 342430372 LJYBZAFQXPKCIE-GFCCVEGCSA-N 317.411 -0.203 30 20 DBED C=C(C)COCCNC(=O)N(CCO)CCN1CCOCC1 344016504 LIYONURJGRVENF-UHFFFAOYSA-N 315.414 -0.085 30 20 DBED CC[C@@](C)(C#N)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 349617616 QZSYWFSFRBGHJJ-INIZCTEOSA-N 322.409 -0.071 30 20 DBED C=C(C)COCCNC(=O)Cc1cc(S(N)(=O)=O)cn1C 362913476 NAXWXDQHRQOTKR-UHFFFAOYSA-N 315.395 -0.076 30 20 DBED N#Cc1ccc(S(=O)(=O)NC[C@@H]2CN3CCN2CC3)s1 369176604 CGKCUPIXLPBJFW-SNVBAGLBSA-N 312.420 -0.102 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2CC[C@H](C)O2)C1=O 422474643 HEZNCPCSCORSHG-AVGNSLFASA-N 323.393 -0.085 30 20 DBED Cc1nnc(N2CCS(=O)(=O)[C@H](C(=O)O)C2)c(C#N)c1C 424476363 UJJXHFCWPIWVSM-JTQLQIEISA-N 310.335 -0.347 30 20 DBED COC[C@](C)(C#N)NC(=O)CN(C)C(=O)[C@H](C)n1cccn1 433958629 IBTXWRHASMBVIC-FZMZJTMJSA-N 307.354 -0.053 30 20 DBED CCn1cc(C#N)c(=O)n(Cc2ncnn2CC(F)F)c1=O 447311754 IQHMPFVYXPAZCS-UHFFFAOYSA-N 310.264 -0.194 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)NCc2ncccc2F)CCO1 548757588 XNLJZIBLDPLPQI-SECBINFHSA-N 300.315 -0.221 30 20 DBED CC[C@@](C)(CO)NC(=O)C(=O)Nc1nn(C(C)C)cc1C#N 563499732 FVLFXFCBUUOPBZ-AWEZNQCLSA-N 307.354 0.551 30 20 DBED CN(CCC#N)C[C@@H](O)CN[C@H]1CCCN(S(C)(=O)=O)C1 584405365 BPKJGIVBKAPGSK-STQMWFEESA-N 318.443 -0.794 30 20 DBED Cn1c(N2C[C@@H]3CC[C@@H](O)C[C@H]3C2)c(C#N)c(=O)n(C)c1=O 591829829 JRXNYQMXFKJZNT-GARJFASQSA-N 304.350 -0.447 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H](C(=O)O)[C@@H]1CCOC1 593255187 DGOJCGKNHDNDAL-OPRDCNLKSA-N 305.356 -0.598 30 20 DBED C[C@H]1CN(CCNC(=O)NCCn2cnc(C#N)n2)[C@@H](C)CO1 596598320 LBOGGXDZXWVUNV-RYUDHWBXSA-N 321.385 -0.442 30 20 DBED CNC(=O)[C@H](C#N)C(=O)CNC(=O)c1ccc2c(c1)OCO2 764755571 GVMSXMLNRZUDBW-SECBINFHSA-N 303.274 -0.400 30 20 DBED C#C[C@@H](CC)OC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 768041423 OMGSFLKSAYIWAF-VIFPVBQESA-N 304.306 -0.611 30 20 DBED C#CCCCCC(=O)N(C)CC(=O)N[C@H]1CCS(=O)(=O)C1 773231613 MZJYWMJHRKXINP-LBPRGKRZSA-N 314.407 -0.058 30 20 DBED C=CCOCCOC(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1 797325115 SBZGKZPNRMYVFQ-JTQLQIEISA-N 317.367 -0.167 30 20 DBED C#C[C@H](NC(=O)C(=O)N(C)C[C@@H]1CCC[C@H]1O)[C@H]1CCCO1 809309139 DHMPDINPXPXLBM-IGQOVBAYSA-N 308.378 -0.097 30 20 DBED C=CCS(=O)(=O)NC(=O)c1cn(C2CCOCC2)nn1 810644157 SUDISDRINFXKCD-UHFFFAOYSA-N 300.340 -0.125 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@](C)(O)C2CCC2)CC1 813439519 VSMARYJQJKKUTG-MRXNPFEDSA-N 307.394 -0.569 30 20 DBED C=C[C@H](O)C(=O)OCC(=O)Nc1cccc(S(N)(=O)=O)c1 814549236 ZPYQCCLDAVAWSN-JTQLQIEISA-N 314.319 -0.637 30 20 DBED C[C@H]1CN(C(=O)[C@](C)(C#N)CC(=O)O)CCN1S(C)(=O)=O 820927746 FEEHSSTZFFOGJU-CABZTGNLSA-N 317.367 -0.517 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CCSC2)CC1 831565160 OHLLCJFHQKSNSO-NSHDSACASA-N 317.436 -0.649 30 20 DBED C=CCNC(=O)CNC(=O)C(=O)Nc1cccc(C(=O)O)c1 833377130 NHBPRLCLHLYLIP-UHFFFAOYSA-N 305.290 -0.258 30 20 DBED C#CCO[C@@H](C)C(=O)NS(=O)(=O)c1ccc2nn[nH]c2c1 838913545 VBOJBNCOLCAYLG-QMMMGPOBSA-N 308.319 -0.199 30 20 DBED CNC[C@@H](C)NC(=O)C(=O)NCCNc1ncccc1C#N 851685340 RWGZFHGFPIRRBM-SNVBAGLBSA-N 304.354 -0.795 30 20 DBED Cc1nn(C)cc1/C=C\C(=O)c1c(O)n(C)c(=O)n(C)c1=O 876498263 SXURSPRZDZNKCX-WAYWQWQTSA-N 304.306 -0.272 30 20 DBED C#CCSCC(=O)O[C@@H](C)C(=O)N[C@H]1CCS(=O)(=O)C1 885889496 FEVCNWSQEQFZJA-UWVGGRQHSA-N 319.404 -0.412 30 20 DBED C#CC1(O)CN(C(=O)CCNS(=O)(=O)c2cccs2)C1 890519145 GPOTZFNLFYFCSE-UHFFFAOYSA-N 314.388 -0.377 30 20 DBED COC[C@@H](C)NC(=O)NC(=O)COC(=O)CSCC#N 915388809 YDNYVBQYDAHJLM-MRVPVSSYSA-N 303.340 -0.353 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@@H](C)S(C)(=O)=O 919350347 WPRDBQYOWILSEG-HTQZYQBOSA-N 306.340 -0.637 30 20 DBED C#CC1(O)CN(CC(=O)NC[C@@H]2COc3ccccc3O2)C1 934441997 WBPOMDZWRGQRGH-GFCCVEGCSA-N 302.330 -0.378 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)Cn3ncnn3)C2)cc1 938396127 URBAQNUMUBVTQL-AWEZNQCLSA-N 324.344 -0.315 30 20 DBED C[C@@H](C#N)C(=O)N1CCCN(C(=O)C[C@@H]2CC(=O)NC2=O)CC1 941584060 WEMGVOPHFQZNEK-QWRGUYRKSA-N 320.349 -0.740 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)[C@H]3CCNC3=O)C2)[nH]1 942001170 GYDVJGXJFWAOOP-MNOVXSKESA-N 315.333 -0.647 30 20 DBED CC#CCN1CC[C@H](NC(=O)CN2CC(=O)N(C)C2=O)C[C@@H]1C 947926470 YOSWERAVGVBQIJ-STQMWFEESA-N 320.393 -0.127 30 20 DBED C=CCCN1CCC2(CC1)CN(C(=O)Cn1ncnn1)CCO2 949095829 XQXBVUDEXJIDAG-UHFFFAOYSA-N 320.397 -0.057 30 20 DBED N#CCN1CCOC2(CCN(C(=O)[C@@H]3COCCO3)CC2)C1 949306105 RXUSBEFHHRXAFR-ZDUSSCGKSA-N 309.366 -0.381 30 20 DBED C#CCCN1CCN(C(=O)c2nc(C)n(-c3nc[nH]n3)n2)CC1 949564099 FAOGZQISIOQGHP-UHFFFAOYSA-N 314.353 -0.525 30 20 DBED NC(=O)c1cc(C(=O)NC[C@H]2CCN2C(=O)C#CC2CC2)c[nH]1 950096685 ZGPBWZUVYYGDSY-GFCCVEGCSA-N 314.345 -0.142 30 20 DBED NC(=O)CC(=O)N1[C@H]2CC[C@H]1CN(C(=O)C#CC1CC1)CC2 952513540 YZMNNOOISASTFT-STQMWFEESA-N 303.362 -0.133 30 20 DBED C[C@H](C#N)C(=O)N1[C@H]2CCC[C@H]1CN(C(=O)Cn1cnnn1)C2 952655348 XFHFQNWFLHQUEU-WOPDTQHZSA-N 317.353 -0.575 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(N(C)C(=O)[C@H]2COCCN2C)CC1 953882373 TYFRDXNTWVEHAW-GXTWGEPZSA-N 322.409 -0.074 30 20 DBED CN(C(=O)c1cc2n(n1)CCO2)C1CN(C(=O)C#CC2CC2)C1 954549335 STEVCZNJNJYEID-UHFFFAOYSA-N 314.345 -0.028 30 20 DBED CC#CCN1C[C@H](O)[C@H](CNC(=O)c2ncc(OC)cn2)C1 958244628 VHVGYQBOPQBQLG-YPMHNXCESA-N 304.350 -0.469 30 20 DBED C=C1CCC(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)C(N)=O)C2)CC1 958943055 HQWKCCBIDQVIEB-RYUDHWBXSA-N 309.366 -0.752 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CN(C(=O)C(N)=O)C[C@H]2C1 961661288 SIHIFJHFMAGFRK-XQHKEYJVSA-N 321.377 -0.630 30 20 DBED C=CCCN1C[C@H]2[C@H](NC(=O)c3cn(C)c(=O)n(C)c3=O)[C@H]2C1 961929539 GCARQUDBUFMWFS-PJXYFTJBSA-N 318.377 -0.680 30 20 DBED C#CCCN1C[C@H]2C(NC(=O)CN3C(=O)NC(C)(C)C3=O)[C@@H]2C1 962458609 YPAXEAWYWZIQSO-GHMZBOCLSA-N 318.377 -0.614 30 20 DBED C=C(C)C(C)(C)C(=O)N1C[C@H](O)[C@H](NC(=O)c2cnnn2C)C1 962612098 YEGPIBNPONKOIX-PWSUYJOCSA-N 321.381 -0.281 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CC23CCN(C(=O)C(N)=O)CC3)c1 963491679 XPBSHJMCRZJPLS-LLVKDONJSA-N 315.333 -0.517 30 20 DBED CCN(C(=O)[C@H]1COCCN1CC)C1CN(C(=O)[C@@H](C)C#N)C1 968114091 XWGSAYAEYTVILX-GXTWGEPZSA-N 322.409 -0.074 30 20 DBED C[C@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)Cn1ncnn1)C2 969804808 HCMBYWBOSIJVAS-VWYCJHECSA-N 303.326 -0.965 30 20 DBED C=C(C)CN1C[C@H]2CC[C@H]1CN2C(=O)C[C@@H]1NC(=O)NC1=O 971475255 XGKWQCXCBDJLBR-TUAOUCFPSA-N 306.366 -0.164 30 20 DBED C#CCCN1CCO[C@@]2(CCN(C(=O)CN3CCOCC3)C2)C1 972346520 NISCIHNDBOHDGG-KRWDZBQOSA-N 321.421 -0.355 30 20 DBED C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@@]3(CN(CC#N)CCO3)C2)O1 972430430 FICVGQWYTKJCGF-IIAWOOMASA-N 322.409 -0.468 30 20 DBED C=CCn1cc(C(=O)N2CC[C@@]3(CN(CCO)CCO3)C2)nn1 972586381 XIRHBFIVPPAYTP-OAHLLOKOSA-N 321.381 -0.627 30 20 DBED CN(C[C@H]1CCN1C(=O)c1nc[nH]n1)C(=O)c1cc(C#N)c[nH]1 977521389 RHBGMLWGZMPOAV-SNVBAGLBSA-N 313.321 -0.009 30 20 DBED C#CCN1CCC(C(=O)NCC2[C@@H]3CN(CCO)C[C@@H]23)CC1 979085247 FXKQWKJYNVUMQA-HOTGVXAUSA-N 305.422 -0.382 30 20 DBED C[C@H](NCc1cnnn1C)[C@@H]1CN(C(=O)C#CC2CC2)CCO1 979329377 IHRUMHTXUGYRCF-WFASDCNBSA-N 317.393 -0.066 30 20 DBED CN1CCOC[C@H]1C(=O)NC[C@H]1CCN(C(=O)C#CC2CC2)C1 982742156 LMHQEQZDCCFHSK-CABCVRRESA-N 319.405 -0.305 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](CN(C)C(=O)c2ncn(C)n2)C1 988283752 HMMVJZMLSGBANU-WDEREUQCSA-N 304.354 -0.105 30 20 DBED C[C@@H]1C[C@@H](NCC#N)CN1C(=O)Cn1nc2ccccn2c1=O 989261952 UHGPYRKNAKABLE-VXGBXAGGSA-N 314.349 -0.401 30 20 DBED Cc1c[nH]nc1C(=O)N[C@H]1CCN(C(=O)C#CC2CC2)C[C@H]1O 991469006 ISLHPACJQIZPLL-QWHCGFSZSA-N 316.361 -0.177 30 20 DBED C=CCn1cc(C(=O)NC2CN(C(=O)c3cn(C)cn3)C2)nn1 991674500 ZIPBEAZQWHOTOI-UHFFFAOYSA-N 315.337 -0.548 30 20 DBED C#CCCN1CC[C@]2(NC(=O)CN3CCNC(=O)C3)CCC[C@@H]12 992108718 QKPADARIFORVQK-RHSMWYFYSA-N 318.421 -0.445 30 20 DBED N#CCN1CC[C@]2(NC(=O)c3cn(CC(N)=O)nn3)CCC[C@@H]12 992533968 ZJTYGRDFKAETHP-BXUZGUMPSA-N 317.353 -0.986 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)Cn3nccn3)C[C@]2(C)C1 992966248 JYVBNYLIMDLQOZ-SLEUVZQESA-N 316.365 -0.255 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN(C(=O)c2cocn2)C1 994750171 GSGTVAYJMUKIQC-ZDUSSCGKSA-N 302.334 -0.287 30 20 DBED C[C@@H](NC(=O)[C@H]1CCS(=O)(=O)N1)C1CCN(CC#N)CC1 997435274 NJNZSPRBEFALCY-ZYHUDNBSSA-N 314.411 -0.582 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)c2cn(C)nn2)C1 1000008794 JRUMJCIYHHELQF-PWSUYJOCSA-N 305.338 -0.653 30 20 DBED CC#CCN1CCC(NC(=O)CN2CC(=O)N(C)C2=O)CC1 1003959944 XRJAKWSRZVBBSB-UHFFFAOYSA-N 306.366 -0.516 30 20 DBED CN1CC[C@@H](N2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)C1=O 1010649064 CFMMITXELSDEMY-WCQYABFASA-N 301.350 -0.079 30 20 DBED C[C@@H]1C[C@@H](NC(=O)Cn2cnnn2)CN1C(=O)C#CC1CC1 1012582660 SCZXSVXCSZQZBF-ZYHUDNBSSA-N 302.338 -0.808 30 20 DBED CC#CCN1CCC2(CC1)C[C@@H]2NC(=O)CN1CCNC(=O)C1 1016761256 IMHFSBCIENUUCS-AWEZNQCLSA-N 318.421 -0.588 30 20 DBED N#Cc1cccc(CN[C@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)C2)c1 1019307581 LVUOLQRQJYENQE-KBPBESRZSA-N 313.361 -0.070 30 20 DBED COCC(=O)N1CCCO[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 1019570505 LSNABOREPWRYGE-CYBMUJFWSA-N 320.349 -0.120 30 20 DBED C=C(C)CN[C@H]1C[C@H](NC(=O)C2(n3cnnn3)CCOCC2)C1 1020722420 ZCYWDKMBXRTNLK-JOCQHMNTSA-N 320.397 -0.008 30 20 DBED C=CCN1CC[C@H](N[C@H]2C[C@@H](NC(=O)Cn3nccn3)C2)C1=O 1022141398 SKECEFPVVXSRQD-XQQFMLRXSA-N 318.381 -0.698 30 20 DBED N#Cc1ccc(C(=O)N2C[C@H]3CC[C@H]2[C@@H](NC(=O)C(N)=O)C3)[nH]1 1026002332 RJPCNLXRVALEBI-UWJYBYFXSA-N 315.333 -0.519 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)c3c(C)ncn3C)C2)C1=O 1030481841 YQNLQGWBIMTFBV-ZDUSSCGKSA-N 317.393 -0.071 30 20 DBED C#CCN1CC[C@H](N(C)C(=O)Cn2ncn3nccc3c2=O)C1 1033467067 NWEUNCJNCTUXMC-LBPRGKRZSA-N 314.349 -0.943 30 20 DBED C#CCN1CCO[C@H](CNC(=O)[C@H]2CCc3nnn(C)c3C2)C1 1035492621 ZAYSCEAATNZQQP-QWHCGFSZSA-N 317.393 -0.630 30 20 DBED Cn1cc(C(=O)N2CCC3(CC2)CN(CC#N)C3)ncc1=O 1035754134 ONIGEVSNBDFUGT-UHFFFAOYSA-N 301.350 -0.158 30 20 DBED C#CCN[C@H]1CCN(C(=O)c2cnc(O)n(C)c2=O)C[C@@H]1CC 1037904835 LQRHHMQHAANABL-AAEUAGOBSA-N 318.377 -0.051 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCN1Cc1nncn1C 1038365294 BIYRQLILMIKJFW-KBPBESRZSA-N 316.409 -0.397 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CCC[C@H](C1)N2Cc1nnnn1C 1039531297 LVAMNBBKXVKRLZ-SDDRHHMPSA-N 303.370 -0.065 30 20 DBED Cc1nc[nH]c1C(=O)N1CC[C@](O)(CNC(=O)C#CC2CC2)C1 1039685197 KNZCKWXDWFRUDR-INIZCTEOSA-N 316.361 -0.175 30 20 DBED C=CCCC(=O)N1CC[C@](O)(CNC(=O)c2cnc(O)n2C)C1 1040479702 BUQNBILEROUNQH-HNNXBMFYSA-N 322.365 -0.215 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@@](O)(CNC(=O)CCCF)C1 1040566618 CJLOPHRCFYVNDD-IUODEOHRSA-N 314.357 -0.146 30 20 DBED CCn1ccc(C(=O)N2CC[C@@](O)(CNC(=O)[C@H](C)C#N)C2)n1 1040759014 CZXOFROEOZWUDN-IAQYHMDHSA-N 319.365 -0.244 30 20 DBED C=C1CCC(C(=O)NC[C@@]2(O)CCN(C(=O)C(N)=O)C2)CC1 1040806996 MHVIBBABHPSMRF-HNNXBMFYSA-N 309.366 -0.702 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)c2cc[n+]([O-])cc2)C1 1041330306 VKAVAIZAFYUXJL-UHFFFAOYSA-N 317.345 -0.718 30 20 DBED Cc1noc(C)c1C(=O)NCC1(O)CN(C(=O)[C@@H](C)C#N)C1 1041417659 RQNKALUPQHKGFD-QMMMGPOBSA-N 306.322 -0.246 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)[C@@H](C)OCC2CC2)C1 1041854623 VJUJRBFAHHECHT-WDEREUQCSA-N 309.366 -0.349 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)c2cncnc2O)C1 1041963628 VUGYBCHTJJVPKI-UHFFFAOYSA-N 306.322 -0.549 30 20 DBED C[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1NC(=O)[C@H]1C[C@H]1C(N)=O 1042498876 FZOYULOWHMHHAO-KXGXSXBTSA-N 314.349 -0.589 30 20 DBED C=CCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1045466101 LIZSXTYRRDWMHU-IMRBUKKESA-N 308.378 -0.075 30 20 DBED C#CCN1CC[C@H](N2CCN(C(=O)Cc3nc[nH]n3)CC2)C1 1046076902 IVCWRGBVQHRPQQ-ZDUSSCGKSA-N 302.382 -0.801 30 20 DBED C=C(C)CCC(=O)N1CC(O)(CNC(=O)[C@@H](COC)OC)C1 1046243000 GEYCIROALJDXBB-GFCCVEGCSA-N 314.382 -0.306 30 20 DBED CN(C(=O)c1cccc2ncnn12)[C@H]1CN(CC#N)C[C@@H]1O 1047446026 QKUZFNBQQBGTSS-RYUDHWBXSA-N 300.322 -0.630 30 20 DBED COC[C@@H](OC)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C#CC2CC2)C1 1048824481 BDSUKVAKCLBZRR-MELADBBJSA-N 324.377 -0.909 30 20 DBED CN(C(=O)C#CC(C)(C)C)[C@H]1CN(C(=O)c2cnon2)C[C@@H]1O 1048832938 ZGDFSSSSCJCJSB-RYUDHWBXSA-N 320.349 -0.237 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCN(C)C2)C1 1048873874 NXHWYWJDQKMKGQ-IHRRRGAJSA-N 309.410 -0.066 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(C)n2)C1 1049081718 LRBPDVGQVYTGSU-STQMWFEESA-N 319.365 -0.738 30 20 DBED COc1nc(C)ncc1C(=O)NC[C@H]1COCCN1CC#N 1050947527 YVMHOEICZAYTKO-NSHDSACASA-N 305.338 -0.252 30 20 DBED CC#CCN1CCOC[C@@H]1CNC(=O)c1cc(=O)n(C)cn1 1050966676 VFGXDRLNLMXFQO-LBPRGKRZSA-N 304.350 -0.766 30 20 DBED CC#CCN1CCOC[C@@H]1CNC(=O)c1cc(=O)c(OC)c[nH]1 1051028799 YLKKOPLWAHYHSG-LBPRGKRZSA-N 319.361 -0.163 30 20 DBED Cn1cc(CC(=O)N2CC[C@@H](N3CCN(CC#N)CC3)C2)cn1 1051992646 DXDPKBHASFDNOR-OAHLLOKOSA-N 316.409 -0.295 30 20 DBED C#CCCN1CCC[C@H](NC(=O)c2nnc(O)nc2O)CC1 1052530524 XNBPNAVIKHIDIZ-JTQLQIEISA-N 305.338 -0.110 30 20 DBED CN(C)Cc1cc(C(=O)N2CCOC3(CN(CC#N)C3)C2)no1 1053321684 NRCQQCZMZOHIIL-UHFFFAOYSA-N 319.365 -0.213 30 20 DBED C=C(C)CN1CC2(C[C@H](NC(=O)c3cc(=O)n(C)cn3)CO2)C1 1053836594 NGRWPMWELGNFAW-LBPRGKRZSA-N 318.377 -0.071 30 20 DBED C=C(Cl)CN1CC2(C[C@@H](NC(=O)c3nnn(C)n3)CO2)C1 1053897227 NLEJSBZBDAKTDD-SECBINFHSA-N 312.761 -0.464 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)c3cc(C(N)=O)co3)CO2)C1 1053921533 HQKNRHXQVOQNDA-LBPRGKRZSA-N 317.345 -0.025 30 20 DBED C=CCO[C@@H](C)C(=O)N1C[C@@H]2CN(C(=O)CNC(N)=O)C[C@@H]2C1 1055154993 NGCYSOBRFJFPIM-SDDRHHMPSA-N 324.381 -0.837 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@](CO)(NC(=O)c2cc[nH]n2)C1 1055787357 GYLSDKJBARCLJM-QMTHXVAHSA-N 305.338 -0.347 30 20 DBED N#Cc1nc(=N[C@@H]2CCN(C(=O)CN3CCOCC3)C2)cc[nH]1 1056608014 UCOSDKGAYRFHFN-GFCCVEGCSA-N 316.365 -0.885 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCN(CCO)C(=O)C1CC1 1056760197 MHYYESSCTQAERP-AWEZNQCLSA-N 307.394 -0.569 30 20 DBED N#Cc1cncc(N[C@@H]2CCN(C(=O)c3c[nH]c(=O)cn3)C2)n1 1056762195 ZDEBHVRECKZQCS-SECBINFHSA-N 311.305 -0.242 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCN(CCO)C(=O)c1cn[nH]c1 1057074073 QLDUCLQVRVHMCG-CQSZACIVSA-N 310.354 -0.713 30 20 DBED C#CCOCCC(=O)NCCN(CCO)C(=O)C1CC=CC1 1057256757 SNAMSAWEUSLTLB-UHFFFAOYSA-N 308.378 -0.070 30 20 DBED C=CCC(C)(C)C(=O)NCCN(CCO)C(=O)c1ncn(C)n1 1057498898 OGLJGXBHALTFHC-UHFFFAOYSA-N 323.397 -0.032 30 20 DBED N#Cc1nccnc1N[C@@H]1CCCN(C(=O)[C@@H]2CNC(=O)N2)C1 1057749522 WMWGBDXAHNATIN-KOLCDFICSA-N 315.337 -0.567 30 20 DBED C=CCCOCC(=O)N(CCO)CCNC(=O)c1cncnc1 1057918815 AQVATVJLZSRESU-UHFFFAOYSA-N 322.365 -0.380 30 20 DBED C#CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)c1c[nH]nc1C 1058270400 DDLGPHHUQBQXGW-LBPRGKRZSA-N 322.365 -0.693 30 20 DBED CCn1cc(C(=O)N[C@H]2CCN(c3cnc(C#N)cn3)C2)nn1 1058431653 BFGNEINIUFNPAX-JTQLQIEISA-N 312.337 -0.032 30 20 DBED N#Cc1nccc(N2CC[C@@H](NC(=O)c3cncnc3O)C2)n1 1058476401 ROWXYSZGVLPPRQ-SECBINFHSA-N 311.305 -0.147 30 20 DBED CCCN(C)CCC(=O)NCCN(CCO)C(=O)[C@H](C)C#N 1058654695 FNCAGPQCGBYDIC-CYBMUJFWSA-N 312.414 -0.185 30 20 DBED C=CCO[C@H](C)C(=O)NC[C@H]1COCCN1C(=O)c1cnn[nH]1 1061670408 IZZUDPFUTFWUEE-MNOVXSKESA-N 323.353 -0.647 30 20 DBED CNC(=O)C1(C(=O)NC[C@@H]2COCCN2C(=O)[C@@H](C)C#N)CC1 1061700524 GFOPCQFFMOHNEE-WDEREUQCSA-N 322.365 -0.984 30 20 DBED N#Cc1nccc(N2CCO[C@H](CNC(=O)[C@@H]3CCCO3)C2)n1 1063605148 CFULSHOJGWNPTO-NEPJUHHUSA-N 317.349 -0.151 30 20 DBED C#CCCCC(=O)NC1(CNC(=O)[C@H]2CNC(=O)N2)CCC1 1064272137 HPERYECSMTUCCO-LLVKDONJSA-N 306.366 -0.374 30 20 DBED CC(C)C#CC(=O)NC1(CNC(=O)[C@H]2CNC(=O)N2)CCC1 1064273167 VGXRIZFGWLISPV-LLVKDONJSA-N 306.366 -0.518 30 20 DBED N#Cc1cnc(N2C[C@H]3CN(C(=O)Cn4cncn4)C[C@H]3C2)cn1 1066007652 XBEHRCYJJPFHIN-TXEJJXNPSA-N 324.348 -0.465 30 20 DBED CC(C)C#CC(=O)N1CCC[C@H](NC(=O)[C@H]2CNC(=O)N2)CC1 1066459410 ZZVQMOKGHFFSKS-QWHCGFSZSA-N 320.393 -0.176 30 20 DBED N#Cc1cnc(NC[C@H]2C[C@H](NC(=O)[C@H]3CCC(=O)N3)C2)cn1 1068460532 DTWQKPIYEMKIGE-CKYFFXLPSA-N 314.349 -0.066 30 20 DBED Cc1nc[nH]c1C(=O)N1CC2(C[C@@H](NC(=O)[C@@H](C)C#N)CO2)C1 1069007058 ABMPYXXKOPCSRB-GXSJLCMTSA-N 317.349 -0.023 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)Cn2cncc2C)C1 1069980078 AQGYQFGQNSYNBA-KGLIPLIRSA-N 313.365 -0.542 30 20 DBED C#CCCCC(=O)N[C@@H]1CCCN(C(=O)CS(C)(=O)=O)C1 1070495751 POJORSZTEGBVLN-GFCCVEGCSA-N 314.407 -0.058 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)Cn2nccn2)CC1 1070967936 FARPESHMAPKKAD-UHFFFAOYSA-N 306.370 -0.885 30 20 DBED C=CCOCC(=O)N1C[C@H](C)[C@H](NC(=O)c2ccc(O)nn2)C1 1071809767 YLFRAXPCEQPSMG-CMPLNLGQSA-N 320.349 -0.039 30 20 DBED C#CCOCCC(=O)N1C[C@H](C)[C@H](NC(=O)CC(=O)NCC)C1 1072096753 DHHJYYXTMKNHEE-QWHCGFSZSA-N 323.393 -0.484 30 20 DBED C=CCCC(=O)N[C@H]1CN(C(=O)Cn2c(O)nnc2O)C[C@@H]1C 1072484124 MWNVBJNGDABKNT-UWVGGRQHSA-N 323.353 -0.381 30 20 DBED C=CCOCC(=O)N[C@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@H]1C 1072615897 CEPIOYSKXFRLRW-PWSUYJOCSA-N 320.349 -0.451 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1C 1073909448 HEMHKEGAWQSXCM-WCQYABFASA-N 305.378 -0.111 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@@H]3OCCN(CC(N)=O)[C@H]3C2)[nH]1 1074219042 JNJPPNBBJCOPAH-STQMWFEESA-N 317.349 -0.713 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H]3OCCN(CCO)[C@H]3C2)nn1 1074354633 SZKMGIVIDFWKRM-UONOGXRCSA-N 321.381 -0.628 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H](C)CCNC(=O)CNC(=O)CC 1075945219 GTEABUGXSMIGSE-NWDGAFQWSA-N 311.382 -0.438 30 20 DBED C=CCO[C@H](C)C(=O)NCC[C@H](C)NC(=O)CS(C)(=O)=O 1077066436 PBRSCBIGAXGWLV-WDEREUQCSA-N 320.411 -0.367 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3nnn(C)c3C2)C1 1077576334 KAWHVZYSLLBQCA-NJZAAPMLSA-N 319.409 -0.343 30 20 DBED C=CCOCC(=O)N[C@@H](C)CCNC(=O)c1cn(C)c(=O)cn1 1077766011 NALLZNOJJLBYSR-NSHDSACASA-N 322.365 -0.393 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H](C)CCNC(=O)C1(C(N)=O)CC1 1078112802 JIDRUWWEYFOPCC-QWRGUYRKSA-N 309.366 -0.699 30 20 DBED C#CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1079775059 RMOBFHRSNPITTA-RZFFKMDDSA-N 320.389 -0.024 30 20 DBED CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)[C@H]2CC(=O)N(C)C2)C1 1080420066 MPQQMFNSHSTEBA-MNOVXSKESA-N 306.366 -0.316 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H](O)[C@H](CNC(=O)/C(C)=C\C)C1 1081391187 JGRNTXUBLPYTTG-JUPNIWIKSA-N 321.377 -0.972 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)CCOCC#C)C[C@@H]1O 1081442784 YMXXWBGKGVZVAY-GJZGRUSLSA-N 320.389 -0.235 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@H]1O 1081466276 QWXICNBLSKVVSL-NWDGAFQWSA-N 323.393 -0.907 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1cc(CN(C)C)on1 1081878318 GKPCFGLTXIDSAC-CHWSQXEVSA-N 307.354 -0.311 30 20 DBED C#CCN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1COCCN1C(C)=O 1085427987 HMRJLNGEDKDBGV-KFWWJZLASA-N 307.394 -0.116 30 20 DBED CN(C[C@H]1CCN1Cc1nnnn1C)C(=O)c1c[nH]c(C#N)c1 1085551644 FNKSAGMMAHOUPG-GFCCVEGCSA-N 314.353 -0.244 30 20 DBED C#CCN1CCC[C@@H]2[C@H](NC(=O)Cn3cnnn3)C(C)(C)[C@@H]21 1087271708 WHDMBJKIPNPKRH-KWCYVHTRSA-N 302.382 -0.089 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1O 1090407746 ALYVNKSEMPLBSY-JMSVASOKSA-N 317.349 -0.659 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2ccc3nnnn3c2)[C@H](O)C1 1090430800 QGGNUUSQUSQSAQ-QWHCGFSZSA-N 314.349 -0.687 30 20 DBED C=CCN1CC[C@@H](NC(=O)C(=O)N2CCC(C)CC2)[C@@H](O)C1 1090630013 URMJRHTWAJRYAF-KGLIPLIRSA-N 309.410 -0.018 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2c(OC)ccnc2O)[C@H](O)C1 1090731787 WJCKQBGZHMINBB-GHMZBOCLSA-N 305.334 -0.406 30 20 DBED N#CCSCC(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@@H]1O 1091070535 HUUGGDONDUDJEM-NEPJUHHUSA-N 317.374 -0.124 30 20 DBED N#Cc1cnc(NC2CC(CNC(=O)Cn3cncn3)C2)cn1 1092219658 XRCSTBBMAMUNPN-UHFFFAOYSA-N 312.337 -0.053 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)c3cn(C)nn3)c3nccn32)C1 1092369393 ZWFWCZMNAMPYRD-NSHDSACASA-N 311.349 -0.470 30 20 DBED CN(C)CCC(=O)N[C@H]1[C@@H]2CN(c3cncc(C#N)n3)C[C@@H]21 1093342670 QOQNIEGDLPFNIV-JYAVWHMHSA-N 300.366 -0.149 30 20 DBED N#Cc1nc(=NCCNC(=O)[C@H]2CCc3nc[nH]c3C2)cc[nH]1 1093850371 VHLBRSKNQDELME-JTQLQIEISA-N 311.349 -0.174 30 20 DBED CC(C)C(=O)N(C)CC(=O)NCCNc1nccnc1C#N 1094187878 PPHXSJUDAWQFQX-UHFFFAOYSA-N 304.354 -0.009 30 20 DBED Cn1nnc2c(NCCCNC(=O)CSCC#N)ncnc21 1094311670 LWJQDGPZRQIGAD-UHFFFAOYSA-N 320.382 -0.067 30 20 DBED C=CCN1CC(n2cc(CNC(=O)c3cn(C)c(O)n3)nn2)C1 1094315408 MCLDETFVFXQRAS-UHFFFAOYSA-N 317.353 -0.310 30 20 DBED C#CCCN1CC(N2C[C@H](NC(=O)c3ccon3)CC2=O)C1 1094709050 HSQDBDRJHYQENX-LLVKDONJSA-N 302.334 -0.287 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)c3ncoc3CC)CC2=O)C1 1094715124 HQMPDQOVEWXKTD-NSHDSACASA-N 316.361 -0.115 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)c3c[nH]cc3C)CC2=O)C1 1094815424 SMUMKVLAZLEFPZ-GFCCVEGCSA-N 300.362 -0.029 30 20 DBED N#Cc1cccnc1N1CCC(CNC(=O)CNC(N)=O)CC1 1095338617 HAGJHXQDKQJWME-UHFFFAOYSA-N 316.365 -0.046 30 20 DBED N#Cc1ccc(N[C@H](CNC(=O)[C@@H]2CNC(=O)N2)C2CC2)cn1 1096801167 WMEHSRWZIGZQMQ-OLZOCXBDSA-N 314.349 -0.059 30 20 DBED CNC(=O)C1(C(=O)N2CC[C@H](Nc3cncc(C#N)n3)C2)CC1 1096947411 SZDPMNAZORRMJK-JTQLQIEISA-N 314.349 -0.113 30 20 DBED C#CCN(CCO)C1CCN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1 1098404432 MJEUMNKDHRVRFU-GDBMZVCRSA-N 323.437 -0.376 30 20 DBED C#CCN1C[C@H]2[C@@H]3CC[C@@H](CN3C(=O)CNC(=O)NC)[C@H]2C1 1099490656 VAFXOLWDSJSONS-DGAVXFQQSA-N 304.394 -0.283 30 20 DBED C[C@@H](CCNC(=O)[C@H]1CN(C)C(=O)N1)Nc1cncc(C#N)n1 1099616273 GMEOKTCDAFABHC-GXSJLCMTSA-N 317.353 -0.321 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(Cc2ccnn2C)C[C@@H]1O 1099740767 JFDZAVVZYANWKY-KGLIPLIRSA-N 308.382 -0.326 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)Cc2n[nH]c(C)n2)[C@H](O)C1 1099809176 DANQSKMNLKZNPU-QWHCGFSZSA-N 323.397 -0.590 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CCNC(=O)C2CCC2)[C@@H](O)C1 1100031816 KUIGEFQXKBXYTP-CABCVRRESA-N 321.421 -0.133 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CCNC(=O)C2CCC2)[C@@H](O)C1 1100032108 OZKTXLDRQMMTBF-CABCVRRESA-N 321.421 -0.133 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2cccnn2)[C@H](O)C1 1100041605 LQGVGCZWIUPKHA-GXTWGEPZSA-N 304.350 -0.709 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1CC(NCc2nc(O)n[nH]2)C1 1100285752 SAHATGWWCMBISQ-FDZGAKKTSA-N 309.370 -0.178 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)c2[nH]cnc2C)C1 1101077312 XSYQXRAQKDTZCR-UHFFFAOYSA-N 303.366 -0.434 30 20 DBED CN(CCNc1nccnc1C#N)C(=O)c1cc(=O)n(C)o1 1101562964 IUYWNKDHNSRHGE-UHFFFAOYSA-N 302.294 -0.176 30 20 DBED COCC#CCN1C[C@@H](C)[C@H](CNC(=O)[C@@H]2CCCNC2=O)C1 1102066063 DHSSGEJOWRICNM-RBSFLKMASA-N 321.421 -0.154 30 20 DBED CC(=O)N(C)CC(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(C#N)n1 1102537370 HPIQNSJYJOULAQ-RYUDHWBXSA-N 314.349 -0.384 30 20 DBED C[C@H](NC(N)=O)C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(C#N)cn1 1102547629 IRGWVFRGUUNQKH-DLOVCJGASA-N 314.349 -0.200 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CN(c2ccc3nnnn3n2)CCO1 1104301743 KBNRJNQQQVHMHN-VHSXEESVSA-N 316.325 -1.000 30 20 DBED C=C(C)CNCc1cn(C2CN(C(=O)Cn3nccn3)C2)nn1 1105247192 SRVQPEWZABIKJI-UHFFFAOYSA-N 316.369 -0.381 30 20 DBED C=CCNCc1cn(C2CN(C(=O)[C@@H]3CC[C@H]3C(N)=O)C2)nn1 1105300698 AWFGZTISJGOCTP-CHWSQXEVSA-N 318.381 -0.552 30 20 DBED C[C@@H]1CN(C)C[C@@H]1C(=O)N1CC(n2cc(CNCC#N)nn2)C1 1105326746 DWDDGJSCMZXZRK-RISCZKNCSA-N 317.397 -0.528 30 20 DBED CN(CCN(C)c1cnc(C#N)cn1)C(=O)C[C@@H]1CCC(=O)N1 1105429569 FTEOGTNTOVGQBF-NSHDSACASA-N 316.365 -0.088 30 20 DBED CN(CCN(C)c1cnc(C#N)cn1)C(=O)c1cnn(C)n1 1105432387 LZGWJOIZEPSWQK-UHFFFAOYSA-N 300.326 -0.315 30 20 DBED Cc1c(C(=O)NC[C@H](O)CNc2cncc(C#N)n2)cnn1C 1105749542 AUALOKQRULBWGR-LLVKDONJSA-N 315.337 -0.407 30 20 DBED C[C@H](C(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1)n1cccn1 1105767966 VJCYSDWEXDYFRT-MNOVXSKESA-N 315.337 -0.883 30 20 DBED N#Cc1nccnc1NC[C@@H](O)CNC(=O)C[C@@H]1COC(=O)C1 1105819629 HKNCGEPSUIJPQG-UWVGGRQHSA-N 319.321 -0.810 30 20 DBED CCn1ncc(C(=O)NC[C@H](O)CNc2ccc(C#N)nc2)n1 1105821862 CYMPRMVWBOOKFU-GFCCVEGCSA-N 315.337 -0.233 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)CN2CCOCC2)nc1 1105829134 QAMVQPAXEKMJTD-ZDUSSCGKSA-N 319.365 -0.826 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)c2csnn2)nn1 1106054508 OQIHSGZARCYLSC-MRVPVSSYSA-N 305.323 -0.597 30 20 DBED C[C@@H]1CCO[C@@H]1C(=O)NC[C@@H](O)CN=c1cc[nH]cc1C#N 1106121567 CDMNQQLVLNAYCN-OSMZGAPFSA-N 304.350 -0.311 30 20 DBED COC(=O)c1nc(=NC/C=C\CNC(=O)[C@@H](C)C#N)cc[nH]1 1107080033 GVQXDQODATZJLB-XOULXFPDSA-N 303.322 -0.071 30 20 DBED CCOCCOCC(=O)NCc1cn(C2CN(CC#N)C2)nn1 1107238951 YPARVUXATJXTOR-UHFFFAOYSA-N 322.369 -0.672 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@]1(C)CN(Cc2cnnn2C)CCO1 1107819308 NMSGKJSQHREDJB-FZMZJTMJSA-N 306.370 -0.318 30 20 DBED C[C@H](C#N)C(=O)NC[C@]1(C)CN(Cc2cn(C)nn2)CCO1 1107821443 PASKUJQNBZHKBW-BXUZGUMPSA-N 306.370 -0.318 30 20 DBED C[C@]1(CNC(=O)c2cc(C(N)=O)co2)CN(CC#N)CCO1 1108209176 KALIBPGPVOYYDR-AWEZNQCLSA-N 306.322 -0.277 30 20 DBED CC#CCN1CC(N2C[C@H](NC(=O)CSCC#N)CC2=O)C1 1108511656 WPZUGRYXPFOLNW-GFCCVEGCSA-N 320.418 -0.332 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)[C@H](CC)N(C)C)CC2=O)C1 1108576838 FNRAMINXZHIVCE-JSGCOSHPSA-N 308.426 -0.086 30 20 DBED C=CCCOCC(=O)N[C@@H]1CC(=O)N(C2CN(CCF)C2)C1 1108594657 WXBDBIWUOPLAHP-GFCCVEGCSA-N 313.373 -0.050 30 20 DBED CCC(=O)NCC(=O)N[C@@H](C)CN(C)c1cncc(C#N)n1 1108879736 JFYXDLPKIZVAHF-JTQLQIEISA-N 304.354 -0.185 30 20 DBED C[C@@H](CC(=O)N[C@H](C)CN(C)c1ccnc(C#N)n1)NC(N)=O 1109098163 YRVWAXXXNDENJT-VHSXEESVSA-N 319.369 -0.264 30 20 DBED C[C@H](CN(C)c1ccc(C#N)nn1)NC(=O)[C@@H]1CCC(=O)NC1 1109306031 XVGSRKCFTSMOLT-GHMZBOCLSA-N 316.365 -0.185 30 20 DBED CS(=O)(=O)CC(=O)N[C@@H](CNc1ccc(C#N)nn1)C1CC1 1109768515 JBNIWQWSNODNKR-NSHDSACASA-N 323.378 -0.300 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H](C)COC 1110386687 UZMHVUKOEKYFHG-DGAVXFQQSA-N 307.394 -0.260 30 20 DBED C[C@H](C#N)C(=O)N[C@]12CCC[C@H]1CN(CC(=O)NCC#N)C2 1111660318 DLGXMWCTZITALK-XUJVJEKNSA-N 303.366 -0.243 30 20 DBED CN(CCCN(C)c1ccc(C#N)nc1)C(=O)[C@@H]1CNC(=O)N1 1112168289 GMSLPOIMJCHZFZ-ZDUSSCGKSA-N 316.365 -0.081 30 20 DBED C[C@@H](N=c1cc[nH]c(C#N)n1)[C@@H](C)NC(=O)C1=COCCO1 1112892149 JHHSIJTVLCHMRO-NXEZZACHSA-N 303.322 -0.037 30 20 DBED C[C@@H](NC(=O)Cn1ncnn1)[C@@H](C)Nc1ncccc1C#N 1113194591 SKKWAPUFPJPPMW-NXEZZACHSA-N 300.326 -0.055 30 20 DBED C[C@H](NC(=O)c1nnn(C)n1)[C@@H](C)Nc1ccc(C#N)nn1 1113258142 AJEGUDXAWXLUNA-SFYZADRCSA-N 301.314 -0.509 30 20 DBED CNC(=O)C1(C(=O)NC[C@H](C)N(C)c2cnc(C#N)cn2)CC1 1113660981 YCICARGGZFWECV-JTQLQIEISA-N 316.365 -0.185 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3cnn(C)c3)[C@H]2C1 1113838547 FQBMNDPHBJZUAB-IMRBUKKESA-N 303.366 -0.618 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1[C@@H]2CN(CCN(C)S(C)(=O)=O)C[C@@H]21 1114066530 DLWHODATAPQOKF-NNYUYHANSA-N 314.411 -0.916 30 20 DBED C[C@H](C#N)C(=O)NC1[C@@H]2CN(CCCN3C(=O)CNC3=O)C[C@@H]12 1114067058 MERBSZUVOWKAAB-GMTAPVOTSA-N 319.365 -0.866 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)C[C@H]3CCOC3)[C@H]2C1 1114084641 CNHRWAYZAYMXGB-FOCJUVANSA-N 305.378 -0.791 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)c3[nH]ccc3C)[C@@H]2C1 1114200620 CCBQHNKXWKSORR-VXGBXAGGSA-N 300.362 -0.267 30 20 DBED Cn1[nH]c(CN2C[C@@H]3C(NC(=O)C#CC(C)(C)C)[C@H]3C2)nc1=O 1114259950 CSSMQEKUPJNXSL-QWRGUYRKSA-N 317.393 -0.296 30 20 DBED C#CCCN1C[C@H]2[C@H](NC(=O)[C@H](Cn3cccn3)N(C)C)[C@H]2C1 1114405687 YHVNSGWDTJWZAZ-XUWVNRHRSA-N 315.421 -0.117 30 20 DBED C=CCN1C[C@H]2C(NC(=O)CCCn3c(O)nnc3O)[C@@H]2C1 1114496824 UBDNDFIDMFWCBA-NXEZZACHSA-N 307.354 -0.298 30 20 DBED N#Cc1ccc(N2C[C@H]3[C@H](CNC(=O)Cc4nc[nH]n4)[C@H]3C2)nn1 1114571832 IKRZHTSYCGNZQZ-CNDDSTCGSA-N 324.348 -0.493 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3cnoc3CC)[C@H]2C1 1114899624 VZNWZKIDOQHTRD-RYUDHWBXSA-N 316.361 -0.354 30 20 DBED C[C@H](NC(N)=O)C(=O)N(C)C[C@@H](C)N=c1cc[nH]cc1C#N 1115674232 BOKXTQNJGGIVAJ-ZJUUUORDSA-N 304.354 -0.309 30 20 DBED C[C@H](CN(C)C(=O)[C@@H]1CNC(=O)N1)Nc1cnc(C#N)cn1 1120634719 PAJJWPOMSDPLOZ-SCZZXKLOSA-N 303.326 -0.712 30 20 DBED CCN(CC)CC(=O)NC[C@@H](CO)Nc1nc(C)cc(C#N)n1 1121659417 QFWVYPUQIIBOCB-ZDUSSCGKSA-N 320.397 -0.113 30 20 DBED CC(C)[C@H](C(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1)N(C)C 1121839857 OEPPAULFQHPASB-BXUZGUMPSA-N 320.397 -0.755 30 20 DBED Cc1nsc(N[C@@H](CO)CNC(=O)Cc2nc[nH]n2)c1C#N 1121994878 SLIRWOWQIYEZAR-MRVPVSSYSA-N 321.366 -0.427 30 20 DBED COC[C@@H](OC)C(=O)NC[C@H](CO)N=c1cc(C)[nH]cc1C#N 1122467684 ZQYVYLPGLILFSH-TZMCWYRMSA-N 322.365 -0.766 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)nn1 1122637917 ZAYZNYOPCAILKD-LOWDOPEQSA-N 317.349 -0.195 30 20 DBED CNC(=O)NCC(=O)N1CC[C@H](Nc2ccc(C#N)nn2)[C@H]1C 1123111930 WAMRHCGYBFNZLU-KOLCDFICSA-N 317.353 -0.321 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)Cc1cc[nH]n1 1125164269 GTJPQIXAJAPVKN-SNVBAGLBSA-N 322.369 -0.942 30 20 DBED C#CCOCCC(=O)NCCNCC(=O)NC[C@@H]1CCCO1 1127031539 HFUSCEOIMAUTNI-ZDUSSCGKSA-N 311.382 -0.973 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCNCC(=O)NCC(C)(C)C 1129770130 BRUQFXWOGBXIMG-AWEZNQCLSA-N 322.453 -0.048 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)[C@H]2COCCN2CC)C1=O 1130614995 HHJWBCGOGJVHOD-UONOGXRCSA-N 324.425 -0.800 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2ncn(C)n2)CC[C@H]1C 1132003443 VMGANUYZHISLIE-NEPJUHHUSA-N 318.381 -0.853 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@H]1CCN(C)[C@@H](C)C1 1132893405 PHKBQZYNDUWEEJ-IHRRRGAJSA-N 308.426 -0.440 30 20 DBED CC#CCN[C@H](C)C[C@@H](C)NC(=O)CNC(=O)CNC(C)=O 1134769904 KWKKLTHYTUCNMX-VXGBXAGGSA-N 310.398 -0.865 30 20 DBED C=CCCn1cc(C(=O)NCCNCc2n[nH]c(C)n2)nn1 1135075454 LBZSXIUBOFDQEC-UHFFFAOYSA-N 304.358 -0.200 30 20 DBED CCn1cc(C(=O)N[C@@H](C)C[C@H](C)NCC(=O)NCC#N)nn1 1135806509 FKWFGUSQAFCRJM-QWRGUYRKSA-N 321.385 -0.576 30 20 DBED C=CCOCCN[C@@H](C)C[C@H](C)NC(=O)CS(=O)(=O)NC 1146429885 GNBIVECKOYATIV-RYUDHWBXSA-N 321.443 -0.389 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC2(CCN(Cc3nc(O)n[nH]3)C2)C1 1147446631 WLABBKKATSBMLW-CQSZACIVSA-N 321.381 -0.128 30 20 DBED Cn1nccc1COCC(=O)N1CC2(CCN(CC#N)C2)C1 1147773988 OJFZVAIYSSVFKS-UHFFFAOYSA-N 303.366 -0.005 30 20 DBED Cc1ccc(OCC(=O)NCCNCC(=O)NCC#N)cc1 1150137439 OPZDFLWQPJNJSF-UHFFFAOYSA-N 304.350 -0.281 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)[C@@]1(CC)CCNC1=O 1160280420 JCYVEAWGXLHTQR-BLLLJJGKSA-N 322.409 -0.864 30 20 DBED C#CCNCCCC[C@H](C)NC(=O)CN(C)S(C)(=O)=O 1171084305 HMRPFONMTKHFNU-LBPRGKRZSA-N 303.428 -0.224 30 20 DBED C#CCNCCCC[C@H](C)NC(=O)[C@H]1CCS(=O)(=O)N1 1176638621 FTAYLTNHOFCBRT-NWDGAFQWSA-N 301.412 -0.424 30 20 DBED CC#CCN[C@H]1CCN(C(=O)CS(=O)(=O)CCOC)[C@H]1C 1179010218 VTKJHPVJJBQUEM-STQMWFEESA-N 316.423 -0.350 30 20 DBED C#CCC1(C(=O)N2CC[C@@H](N[C@@H](C)C(N)=O)C2)CCOCC1 1183200897 YLKIKLPLMNUGQN-QWHCGFSZSA-N 307.394 -0.129 30 20 DBED COCC#CCNC[C@H]1CCN(C(=O)CNC(C)=O)C[C@@H]1C 1183762662 JMYPRPMYBCUBRZ-DZGCQCFKSA-N 309.410 -0.154 30 20 DBED Cn1cnc(C(=O)N2C[C@@H](CNCC#N)C3(CCOCC3)C2)n1 1186368875 XHEKSVUKXBSSRL-GFCCVEGCSA-N 318.381 -0.203 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2cc(C)nn2C)C1 1189122984 NDVRFRCYFCMSOQ-CYBMUJFWSA-N 317.393 -0.376 30 20 DBED CC[C@@H]1CCO[C@@H]1C(=O)N1CC[C@@H](N(C)CC(=O)NCC#N)C1 1190765247 IFILMULBPZMAQS-NFAWXSAZSA-N 322.409 -0.026 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)c2[nH]ccc2C)C1 1192572360 ZGTZKNSKUPLXBL-YNEHKIRRSA-N 320.393 -0.211 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)CCc2nccn2C)C1 1194908930 JLUTVHWPKYZZCW-ZIAGYGMSSA-N 320.393 -0.836 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@H](OC)c2cnn(C)c2)C1 1195030502 QJVCHWNGOVKAQR-MGPQQGTHSA-N 306.366 -0.708 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)CCn2ccnc2)C1 1195149621 VLDBMLJRNMVYHE-ZIAGYGMSSA-N 308.382 -0.363 30 20 DBED N#CCNC(=O)CN1CCCN(C(=O)c2cncnc2)CC1 1195556027 QPPSUAGHUQSTSX-UHFFFAOYSA-N 302.338 -0.736 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)CNC(=O)c2ccsc2)C1 1198799448 KYEDJRJYJLVTOZ-CHWSQXEVSA-N 321.402 -0.338 30 20 DBED C#CCNC(=O)CC(=O)N1CCCO[C@@H](CNCCCF)C1 1200322715 RZPHPTCMIWUHKQ-ZDUSSCGKSA-N 313.373 -0.307 30 20 DBED C=CCNC(=O)[C@H](C)NC1CCN(C(=O)[C@H]2COC(=O)N2)CC1 1200348557 AIADIGOFFHIFQG-CMPLNLGQSA-N 324.381 -0.634 30 20 DBED C[C@H](C(=O)N1CCCO[C@H](CNCC#N)C1)N1C(=O)CCC1=O 1200634833 MLHYZQXMCJFPDN-VXGBXAGGSA-N 322.365 -0.745 30 20 DBED C#CCN[C@H]1C[C@H](NC(=O)CCNC(=O)COC)C12CCC2 1202997205 WNWMTDCOVYHACB-STQMWFEESA-N 307.394 -0.211 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)N1CCC(NCCO)CC1 1203919661 VKAOPFZSYLUMOW-UHFFFAOYSA-N 312.414 -0.177 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)c1cscn1 1206518416 XHBUEBOQKXIIHD-NXEZZACHSA-N 307.379 -0.167 30 20 DBED C#CCCNCC1CCN(C(=O)CN2CC(=O)NC2=O)CC1 1206616280 ZFFHPBIWQVYNJB-UHFFFAOYSA-N 306.366 -0.610 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(Cc2n[nH]c(C)n2)C[C@H]1C 1206887600 SDDYNTVTBJLJKW-ZYHUDNBSSA-N 318.381 -0.811 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)c2cncnc2)[C@H](C)C1 1206893010 SUZUUXRXOVJJMD-DGCLKSJQSA-N 303.366 -0.171 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)[C@H](OCC)C2CC2)[C@H](C)C1 1206983650 VOVYYULHUPLKJY-XNRPHZJLSA-N 321.421 -0.013 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)[C@H]2CCN(C)C2)C1 1211064242 LLGZUZNILXVWOD-KBPBESRZSA-N 306.410 -0.732 30 20 DBED C[C@@H]1CN(C(=O)Cc2cnn(C)c2)C[C@H]1NCC(=O)NCC#N 1214302146 TVYLNFWXRDTCAW-DGCLKSJQSA-N 318.381 -0.961 30 20 DBED C#CCCCCC(=O)N[C@@H]1CN([C@H]2CCC(=O)NC2=O)C[C@@H]1O 1219482184 OJRPRZOOUHNAMW-AGIUHOORSA-N 321.377 -0.854 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2ccc(OC)o2)C1 1220596456 WKJBLKBHAFUGIU-MNOVXSKESA-N 323.349 -0.635 30 20 DBED N#CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3cnccn3)[C@@H]2C1 1221234280 NEAVJBZDVVJYCQ-DGCLKSJQSA-N 314.349 -0.737 30 20 DBED N#CCNC(=O)CN1CCC(CNC(=O)COCC2CC2)CC1 1222464374 KEYLVLLBFCWQHK-UHFFFAOYSA-N 322.409 -0.119 30 20 DBED C#CCO[C@H](C)C(=O)NCC1CCN(Cc2nnn(C)n2)CC1 1223174170 AOKCLMDVWUQZFS-GFCCVEGCSA-N 320.397 -0.423 30 20 DBED C#CCO[C@H](C)C(=O)NCC1CCN(CCOCCO)CC1 1223182570 HUTKXSXRXXEESC-CQSZACIVSA-N 312.410 -0.138 30 20 DBED N#CCNC(=O)CN1CCC(CNC(=O)[C@@]23COC[C@@H]2C3)CC1 1223260139 UWEXGRJCTGQBOJ-BBRMVZONSA-N 320.393 -0.509 30 20 DBED CC(C)(NS(C)(=O)=O)C(=O)N[C@@H]1CCCC[C@H]1NCC#N 1228989281 ANPMBVCGGHNOSY-GHMZBOCLSA-N 316.427 -0.145 30 20 DBED C#CCN1CCS(=O)(=O)[C@@H](CCNC(=O)c2ccn(C)c2)C1 1230444331 IKOTYPNVHVVHIP-AWEZNQCLSA-N 323.418 -0.123 30 20 DBED CN(C[C@H]1CCN1CC(=O)NCC#N)C(=O)C[C@H]1COC(=O)C1 1233609994 CLOIEBOQICDKQG-VXGBXAGGSA-N 322.365 -0.888 30 20 DBED C#CC1CCN(C(=O)C(=O)N2CCN([C@@H]3CCOC3)CC2)CC1 1261622782 GNCXHHDDJRFUPS-OAHLLOKOSA-N 319.405 -0.209 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)CN1C(=O)CCC1=O 1317758335 BVKGIPHGYDNPTP-QMMMGPOBSA-N 311.294 -0.921 30 20 DBED C=CCN1CC[C@@H](N(C)CC(=O)N2CCC(C(N)=O)CC2)C1=O 1321171418 XOIZQBFCKNWGRK-CYBMUJFWSA-N 322.409 -0.571 30 20 DBED C#CCOCCNC(=O)C(=O)NCc1c(C)nn(CC)c1C 1323262482 SSZRSZUGCSEVEX-UHFFFAOYSA-N 306.366 -0.098 30 20 DBED COCCN1CC[C@@H](NC(=O)C(=O)N2CCC[C@](C)(C#N)C2)C1 1324420258 PRQMPHWRHMORBH-CZUORRHYSA-N 322.409 -0.024 30 20 DBED C=C(C)COCCNC(=O)C(=O)NCc1nnnn1CC1CC1 1324457101 WCIRYNSKHYBRBZ-UHFFFAOYSA-N 322.369 -0.592 30 20 DBED Cc1cc(NC(=O)C(=O)NC[C@@H]2COCCO2)ncc1C#N 1326779326 CWZGAAWDVNJBKE-LLVKDONJSA-N 304.306 -0.268 30 20 DBED C=CC1CCN(C(=O)C(=O)N2CCN3C(=O)NC[C@H]3C2)CC1 1328485025 QZLZUJARABCHFO-LBPRGKRZSA-N 306.366 -0.353 30 20 DBED Cc1ncccc1CCNC(=O)C(=O)N1CCO[C@H](C#N)C1 1335242497 QKEAIUHCYLSNAM-CYBMUJFWSA-N 302.334 -0.200 30 20 DBED C=CC[C@H](CC)NC(=O)C(=O)NC1CCN(CC(=O)NC)CC1 1345053044 KTRDHDKRWGTFOV-LBPRGKRZSA-N 324.425 -0.216 30 20 DBED C[C@@H](C#N)CN(C)c1nnc(CC[C@]2(C)NC(=O)NC2=O)n1C 1345197694 LOUSJEGUCARRSK-XPTSAGLGSA-N 319.369 -0.058 30 20 DBED C=CCCOCCNC(=O)C(=O)NCc1cc(C(N)=O)no1 1346390199 GXFBBOHSACOQEW-UHFFFAOYSA-N 310.310 -0.901 30 20 DBED N#Cc1cn(CCC(=O)NC[C@@H](O)C2CCC2)c(=O)nc1O 1363053581 CVVMZERBIZYIEC-LLVKDONJSA-N 306.322 -0.512 30 20 DBED CC(C)(C#N)CS(=O)(=O)N1CC[C@H]2OCC(=O)N[C@@H]2C1 1364013200 XZRAPEOPCMPERX-NXEZZACHSA-N 301.368 -0.545 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)NC[C@@H]1CCCN(C(N)=O)C1 1364874271 ZQBREFSTSIAATN-QWRGUYRKSA-N 317.415 -0.297 30 20 DBED Cc1ncc(C(=O)NCCN2CCN(C(=O)[C@@H](C)C#N)CC2)[nH]1 1372205296 CCPNQWTXSZXJSP-NSHDSACASA-N 318.381 -0.248 30 20 DBED C[C@@H](C(=O)N[C@H](C)CNC(=O)c1cc(C#N)c[nH]1)n1cncn1 1372823016 IHWXIKOZGUKQJZ-ZJUUUORDSA-N 315.337 -0.026 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](C1CC1)N(C)C(=O)c1ncn(C)n1 1381719726 DJJZAONQTZPICH-KOLCDFICSA-N 304.354 -0.058 30 20 DBED COCCN(CCNC(=O)[C@H](C)C#N)C(=O)CN(C)C(C)=O 1384408938 IBSRNTMQWAXGBV-LLVKDONJSA-N 312.370 -0.784 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CCN(C(=O)c2coc(C(N)=O)c2)C1 1385187420 YJEHVHCGWNTIJY-PSASIEDQSA-N 304.306 -0.131 30 20 DBED CCc1nnsc1C(=O)NC[C@@H](O)CNC(=O)[C@@H](C)C#N 1392129422 KTLAVLROMVUOOI-YUMQZZPRSA-N 311.367 -0.533 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)[C@@H](C)CS(C)(=O)=O)C1 1397223055 ZCKUPCNFDRFSSU-LMLFDSFASA-N 315.395 -0.410 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](C)CNC(=O)c1cc(C(N)=O)ccn1 1397484550 JXHBQQOESHUXCC-DTWKUNHWSA-N 303.322 -0.425 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1ncn(C(C)(C)C)n1 1399869373 NMJPFCKFIGMRBK-ZJUUUORDSA-N 322.369 -0.600 30 20 DBED N#Cc1ccc(C(=O)N2C[C@H](O)[C@H](NC(=O)CCCF)C2)[nH]1 1406399005 UEHSHFYOZWHYIF-NEPJUHHUSA-N 308.313 -0.062 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@](C)(NC(=O)CCn2cncn2)C1 1410980667 PSMNRNUDUZRLJE-RISCZKNCSA-N 304.354 -0.065 30 20 DBED COCCN(CCNC(=O)[C@H](C)C#N)C(=O)Cn1cccn1 1413518073 WBQBKGGPNXBGDX-GFCCVEGCSA-N 307.354 -0.366 30 20 DBED C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)c1cnn(C)n1 1430483143 RDKCJWBTKYZWMH-QMMMGPOBSA-N 301.310 -0.437 30 20 DBED COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1cc(C#N)ccn1 1433537509 TVOVFDRIZDGYPF-IUCAKERBSA-N 304.306 -0.251 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1C[C@@H](NC(=O)C[C@@H]2CCC(=O)N2)C1 1445958533 OSPXTQRXDVHJMV-FIQHERPVSA-N 306.366 -0.174 30 20 DBED CN(Cc1nnc2c(=O)[nH]ccn12)S(=O)(=O)CC1(C#N)CC1 1475634005 YRPHRSUKPXHRCZ-UHFFFAOYSA-N 322.350 -0.517 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C(=O)CCS(C)(=O)=O)CC1 1491036375 ZGKKMXWGYUGRNC-JTQLQIEISA-N 301.368 -0.748 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)[C@H]2CCNC(=O)CC2)C1 1494718607 QGJBYPYGKVUKPZ-OLZOCXBDSA-N 322.409 -0.605 30 20 DBED N#Cc1nc(NC[C@@H]2CCS(=O)(=O)C2)cnc1-c1nn[nH]n1 1570922476 JXWRNALLVQZSFW-ZETCQYMHSA-N 320.338 -0.625 30 20 DBED C[C@H](C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[nH]1)[C@H]1CCC(=O)N1 1573755493 QNEGPUAYMVOZMN-NTSWFWBYSA-N 315.297 -0.685 30 20 DBED N#C[C@H]1CN(C[C@@H](O)CC2(O)CCC(C(=O)O)CC2)CCO1 1574242872 ZOAFBTIYOGRZJB-FMPXUHTOSA-N 312.366 -0.032 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CCN1C(=O)CCOCc1cnn[nH]1 1575179985 YDYSPZNIKFJONN-JQWIXIFHSA-N 320.353 -0.412 30 20 DBED COC(=O)c1cc(C#N)ccc1S(=O)(=O)N[C@@H]1CCNC1 1578850877 UDVBEGRGENWSSI-SNVBAGLBSA-N 309.347 -0.015 30 20 DBED COC[C@@H]1CN(c2cnc(-c3nn[nH]n3)c(C#N)n2)C[C@@H](C)O1 1579747110 OLEIMGJWULTFGE-BDAKNGLRSA-N 316.325 -0.232 30 20 DBED N#Cc1ncc(N2CCN(CC(F)F)CC2)nc1-c1nn[nH]n1 1581882020 ISOZWVIQELFWHJ-UHFFFAOYSA-N 321.295 -0.085 30 20 DBED C#C[C@H]1COCCN1C(=O)C(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)O)C[C@@H]12 1588384116 VVFUGSBONJEZQE-LBELIVKGSA-N 320.345 -0.538 30 20 DBED C#CCN1CCN(C(=O)COCc2ocnc2C(=O)O)CC1 1588476674 GIEJIJYGFZOEGP-UHFFFAOYSA-N 307.306 -0.333 30 20 DBED C=C[C@@H](COC)NS(=O)(=O)c1cccnc1-c1nn[nH]n1 1588526479 XAIVYEKCSYWARY-QMMMGPOBSA-N 310.339 -0.259 30 20 DBED C=C(C)CCC(=O)NC[C@@H](CO)N=c1cc[nH]c(C(=O)O)n1 1588554552 IZGWRTGSVTXLLL-JTQLQIEISA-N 308.338 -0.158 30 20 DBED CC#CCS(=O)(=O)NC(=O)c1ccc(-c2nn[nH]n2)n1C 1588752839 VYPQRFDXDPFQQU-UHFFFAOYSA-N 308.323 -0.712 30 20 DBED Cc1nn(C)c(N2CCN(C(=O)[C@@H](C)C(=O)O)CC2)c1C#N 1594483488 SEXLMJDLIQJAOJ-SECBINFHSA-N 305.338 -0.031 30 20 DBED C=CCNC(=O)C(=O)Nc1ccc(C(=O)NCC(=O)O)cc1 1602901852 ZHDVKZWMBKYVOA-UHFFFAOYSA-N 305.290 -0.258 30 20 DBED C=CCn1cc(C(=O)N2CC[C@]3(CC(C(=O)O)=NO3)C2)nn1 1602938114 TYNYBIBLYARXLB-ZDUSSCGKSA-N 305.294 -0.090 30 20 DBED Cn1cc(C#N)c(NC(=O)N2CCC([C@@H](O)C(=O)O)CC2)n1 1608093558 MUNFMJWZIKSVON-SNVBAGLBSA-N 307.310 -0.019 30 20 DBED N#CC1(CS(=O)(=O)N2CCC([C@H](O)C(=O)O)CC2)CC1 1610618919 BSXQPRHGWRJJEI-JTQLQIEISA-N 302.352 -0.223 30 20 DBED C=CCNC(=O)CNC[C@H]1CCCCN1C(=O)CNC(=O)CC 1690463944 FWBNEJYMZLVSGX-CYBMUJFWSA-N 324.425 -0.215 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)[C@]2(C)CCC(=O)N2)C1 1713831031 MFWFJLNJMOBLOJ-NHYWBVRUSA-N 308.382 -0.852 30 20 DBED C=CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)Cc2cnn(C)c2)C1 1752555435 OHVAUYTTXQNSOK-JSGCOSHPSA-N 319.409 -0.156 30 20 DBED C=CCNC(=O)CN1CCC[C@H](CNC(=O)CNC(C)=O)C1 1752776764 DGUYKMCCUPTFAB-CYBMUJFWSA-N 310.398 -0.747 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCC[C@@H](C)NCc1cnnn1C 1753008138 OKNLINFRBVLCLG-HIFRSBDPSA-N 318.425 -0.103 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCN(C)[C@H]1CCCNC1=O 1753052171 VLGCYFYMCSVKLQ-KBPBESRZSA-N 306.410 -0.589 30 20 DBED C#CCNC(=O)[C@H](C)N1CC(NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 1753383355 XPNGLCFBZNBFIZ-NZBPQXDJSA-N 319.405 -0.260 30 20 DBED C=C(C)CN(CC)C(=O)CN1CC(NC(=O)[C@H]2CCNC2=O)C1 1753383897 OCLSWWZJUFNEIJ-ZDUSSCGKSA-N 322.409 -0.653 30 20 DBED N#CCNC(=O)CN1CC(NC(=O)c2ccnc(C3CC3)n2)C1 1753389720 OBGMDJLOTAHGNV-UHFFFAOYSA-N 314.349 -0.592 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@](C)(NC(=O)CNC(C)=O)C1CC1 1753512622 YUYPQUDUFCVEPM-BZNIZROVSA-N 322.409 -0.865 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H](C)CNCc1nc(=O)n(C)[nH]1 1753713866 PCIXHANJOUHABA-UTUOFQBUSA-N 323.397 -0.364 30 20 DBED COCC#CCNC[C@H](C)NC(=O)c1cccc(C(N)=O)n1 1754296098 DRWZCLGFECXPSU-NSHDSACASA-N 304.350 -0.462 30 20 DBED CN(CCCNCC(=O)NCC#N)C(=O)c1cncc(F)c1 1754364539 CIWOVYIQZSKHJQ-UHFFFAOYSA-N 307.329 -0.088 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CNC(=O)Cc1cncs1 1754486606 QZKUBKLHTIDXGY-NSHDSACASA-N 306.391 -0.375 30 20 DBED Cc1nnc(COCC(=O)NCC2(O)CN(CC#N)C2)s1 1754770708 WHRWKVSZTMOUIK-UHFFFAOYSA-N 311.367 -0.950 30 20 DBED C[C@H]1CN(C(=O)COCC2CC2)C[C@H]1CNCC(=O)NCC#N 1754813572 RAOPYYPSUQAVKD-GXTWGEPZSA-N 322.409 -0.263 30 20 DBED COCC#CCNC1CCN(CCNC(=O)[C@H]2CCOC2)CC1 1754847500 QXHZLXZYQKNGDD-HNNXBMFYSA-N 323.437 -0.157 30 20 DBED C#CCCNC1(C)CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)CC1 1755134668 KVUPRSADTJUADV-LBPRGKRZSA-N 313.423 -0.328 30 20 DBED N#CCN[C@@H](CO)CNC(=O)c1cc(-c2ccccn2)no1 1755643412 KTYAACUKQQCTDP-SNVBAGLBSA-N 301.306 -0.060 30 20 DBED C=CCNC[C@@H](O)CN(C)C(=O)c1cn(C2CCOCC2)nn1 1755791705 OPVXSJIJGLBQRX-CYBMUJFWSA-N 323.397 -0.162 30 20 DBED CN(C[C@H](O)CNCC#N)C(=O)CS(=O)(=O)C(C)(C)C 1755791886 PWJBURFQLUWFIA-SNVBAGLBSA-N 305.400 -0.868 30 20 DBED CC(C)C#CC(=O)N(C)C[C@@H](O)CN(C)C(=O)c1cn(C)nn1 1756685474 GLLVEXQAAMSCGL-GFCCVEGCSA-N 321.381 -0.634 30 20 DBED C=CCCC(=O)N[C@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C[C@@H]1O 1757561435 IFPZCDAUAOYPHV-JQWIXIFHSA-N 320.349 -0.572 30 20 DBED C=CCOCC(=O)N1CC[C@@H](NC(=O)c2cn[nH]c2)[C@@H](O)C1 1757562033 LONJHJOPOPBMIZ-NEPJUHHUSA-N 308.338 -0.696 30 20 DBED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnco3)C[C@@H]21 1790789555 DRNMBJLCCRCZJQ-SRVKXCTJSA-N 303.318 -0.099 30 20 DBED C=C(C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN)C(F)(F)F 1795529048 MCSLQNUABUDWHS-DOFRTFSJSA-N 321.299 -0.347 30 20 DBED COc1cccc(C(=O)NCC(=O)OCC(=O)NCCC#N)c1 6104610 BGRRYBUWEOCFRA-UHFFFAOYSA-N 319.317 -0.002 30 20 DBED CCn1cc(C#N)c(=O)n(CC(=O)NC(=O)NCC(C)C)c1=O 10852140 MGKWZFVQQBATPU-UHFFFAOYSA-N 321.337 -0.617 30 20 DBED CN(CCN1CCOCC1)S(=O)(=O)c1ccc(C#N)nc1 170734749 VONUEVBFTWHDAW-UHFFFAOYSA-N 310.379 -0.094 30 20 DBED CS(=O)(=O)N[C@@H]1CCCC[C@H]1C/N=C(\N)N1CCOCC1 262686865 YQWYSRQFRTXGON-NWDGAFQWSA-N 318.443 -0.259 30 20 DBED CCc1nc(CCN/C(=N\C)N[C@@H]2CCC(=O)N(C)C2)no1 262772481 IBMOGBKJAQVVMG-SNVBAGLBSA-N 308.386 -0.040 30 20 DBED COc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CC(=O)N(C)C1 267341495 IPWHTGXWWWUSHV-SNVBAGLBSA-N 316.317 -0.148 30 20 DBED N#Cc1ccc2c(c1)N(C(=O)C(=O)NCCOCCO)CC2 270142040 DQYJHRKRSBQCQG-UHFFFAOYSA-N 303.318 -0.428 30 20 DBED C#CCCN1CCN(C(=O)[C@H]2C[C@H](OC)CN2C(C)=O)CC1 277965832 UQBWTGDSGFLEJA-LSDHHAIUSA-N 307.394 -0.210 30 20 DBED C[C@H]1C(=O)NCCN1C(=O)C(=O)NCc1cccc(C#N)c1 284130699 VWACAJDTDPYOKF-JTQLQIEISA-N 300.318 -0.479 30 20 DBED N#Cc1ccc(NC(=O)C(=O)N2CC[C@@H](C(N)=O)C2)cc1F 290138094 BJCWEWLCPCPBHJ-SECBINFHSA-N 304.281 -0.030 30 20 DBED CN(C)c1noc(C/N=C(/O)N2CCN3C(O)=NC[C@@H]3C2)n1 329610181 NQNPWZGHRKFKBS-MRVPVSSYSA-N 309.330 -0.537 30 20 DBED Cn1cc(N2CCN(/C(O)=N/[C@@H]3[C@H]4COC[C@H]43)CC2=O)cn1 330009034 FWRRFDOWKGEOHF-PJXYFTJBSA-N 305.338 -0.373 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N1CC(OCC(=O)N(C)C)C1 332055492 OMXAGRHPXUUJIA-JTQLQIEISA-N 318.399 -0.888 30 20 DBED CNC(=O)C(C)(C)CNS(=O)(=O)N(CCC#N)CCOC 336888217 HOTVXJAQLCXLFW-UHFFFAOYSA-N 320.415 -0.545 30 20 DBED CC1(CNS(=O)(=O)N2CCO[C@@H](C#N)C2)CCOCC1 336932117 CEMBGIZWAJOVNZ-NSHDSACASA-N 303.384 -0.138 30 20 DBED COCCN(CCC#N)S(=O)(=O)N(C)CCn1cccn1 337063346 IQKRBZNPXYGROU-UHFFFAOYSA-N 315.399 -0.078 30 20 DBED COCCOCC(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 350329014 OENDOVNISKGGEM-UHFFFAOYSA-N 321.381 -0.088 30 20 DBED C[C@H]1CN(S(=O)(=O)N(C)C[C@@H](C)C#N)C[C@@H](C)S1(=O)=O 352593783 WATCYDAHAQKJQZ-GARJFASQSA-N 323.440 -0.170 30 20 DBED C=C[C@H](CO)NC(=O)C(=O)Nc1cccnc1OCCOC 354654066 OGUFQLRCPVMFOG-SNVBAGLBSA-N 309.322 -0.292 30 20 DBED COc1cc(C)ccc1NC(=O)C(=O)NCC(=O)NCC#N 357305310 JLQSQNAOWJZEIQ-UHFFFAOYSA-N 304.306 -0.302 30 20 DBED N#CCNC(=O)CNC(=O)C1=NN(c2ccccc2)C(=O)CC1 376206565 ZNULPNJVCLKOGM-UHFFFAOYSA-N 313.317 -0.075 30 20 DBED N#CCNC(=O)CNC(=O)N1CCCN(CC(F)(F)F)CC1 377079987 RDHDGCIHGCSZBT-UHFFFAOYSA-N 321.303 -0.094 30 20 DBED CC(C)[C@@H]1C(=O)NCCN1S(=O)(=O)N(C)C[C@H](C)C#N 407956418 LUSVFBATDOGNMV-GHMZBOCLSA-N 302.400 -0.221 30 20 DBED C#CCN(CC#CC)C(=O)CN1CCN(S(C)(=O)=O)CC1 490802789 FSEXCMTWBZFFAP-UHFFFAOYSA-N 311.407 -0.951 30 20 DBED C#CCN1CCN(C(=O)CN2CCC[C@@H]2C(=O)NC2CC2)CC1 490840213 MSSSXASCRRNYGJ-OAHLLOKOSA-N 318.421 -0.493 30 20 DBED C#CCN(C)CCCNS(=O)(=O)N1CCO[C@H](C#N)C1 491201179 FVZUSMJRUBHZEE-GFCCVEGCSA-N 300.384 -1.000 30 20 DBED CN1CCO[C@@H](C(=O)N(C)CCCc2[nH]nc(N)c2C#N)C1 539355101 GMTPPMOUWSDXMS-GFCCVEGCSA-N 306.370 -0.415 30 20 DBED CC(C)N1C[C@@H](NS(=O)(=O)N2CCO[C@H](C#N)C2)CC1=O 584666815 XRDJOOQEOMTMJK-WDEREUQCSA-N 316.383 -0.946 30 20 DBED N#Cc1ccc(S(=O)(=O)CCN2C[C@@H]3CNC[C@@H]3C2)nc1 588957133 IHNBEFYSPMQRNL-BETUJISGSA-N 306.391 -0.122 30 20 DBED Cn1cc(C#N)c(NC(=O)N2CC[C@H](CS(C)(=O)=O)C2)n1 590121566 NLEHYZJGKLOCED-VIFPVBQESA-N 311.367 0.190 30 20 DBED CN(C)C[C@@](C)(C#N)NC(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O 593153243 GYOAMMDGDBCIMZ-BFQNTYOBSA-N 318.377 -0.102 30 20 DBED CN(CCNC(=O)C(=O)N1CCN(CCC#N)CC1)C1CC1 602238087 FXOUJMHSWWKNFM-UHFFFAOYSA-N 307.398 -0.745 30 20 DBED C[C@@H]1COCCN1CCNC(=O)NC1CCN(CC#N)CC1 609339878 DQARDFJXCGHVBC-CYBMUJFWSA-N 309.414 -0.006 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CCC[C@]12NC(=O)N(C)C2=O 755950480 MEAWJNPHSRVILX-NHYWBVRUSA-N 307.350 -0.137 30 20 DBED C=CCCC(=O)COC(=O)CCn1cc(S(N)(=O)=O)cn1 761392780 MQKPDHMLMLQRST-UHFFFAOYSA-N 315.351 -0.001 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@@H](O)C(C)(C)C)CC1 764996887 NSINBAZTXMHFLV-CQSZACIVSA-N 309.410 -0.323 30 20 DBED C[C@@H]1CCCC1=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 771892800 VCJKRWSFVBLENQ-MRVPVSSYSA-N 314.367 -0.462 30 20 DBED C#C[C@@H](C)NC(=O)NCCNS(=O)(=O)Cc1ccon1 773603483 IYRGWLKXZMYYDZ-SECBINFHSA-N 300.340 -0.585 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)[C@H](C)N1CCSCC1 774984248 VTDQOSQRQGXGOA-JTQLQIEISA-N 315.395 -0.021 30 20 DBED CC1(C)[C@@H](NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)C[C@H]1O 779570005 KOVXLLRRSUMLEM-MRMLYHJQSA-N 322.365 -0.029 30 20 DBED C#CCC[C@@H](O)CNC(=O)[C@@](C)(O)Cn1ccc(C)cc1=O 799074519 KRUROFSYIXANMH-CJNGLKHVSA-N 306.362 -0.202 30 20 DBED CCN(CCC#N)S(=O)(=O)NC[C@@H]1CN2CCC[C@H]2CO1 800034773 YODQTMTWVJDPBG-QWHCGFSZSA-N 316.427 -0.080 30 20 DBED CCN(CCC#N)S(=O)(=O)NC[C@@H](O)c1cnn(C)c1 800061244 AXRJQYDUANEGPH-LLVKDONJSA-N 301.372 -0.477 30 20 DBED CC#CCS(=O)(=O)NC(=O)c1ccccc1OCC(N)=O 810773253 XABLTFIXBOFOTC-UHFFFAOYSA-N 310.331 -0.366 30 20 DBED C#CCNC(=O)CNc1ccc(C(=O)NCCC(N)=O)cc1 814241920 MAUQZWQXKYVAGT-UHFFFAOYSA-N 302.334 -0.547 30 20 DBED N#C[C@@H]1CN(C(=O)Cn2cc(C(=O)O)nn2)CCN1C1CC1 833062288 KTZSMTUFIMADDC-SNVBAGLBSA-N 304.310 -0.825 30 20 DBED C#CC[C@@H](CO)NC[C@@H](O)CN1C(=O)c2ccccc2C1=O 843077036 KQNSEYXNCPOLEO-NWDGAFQWSA-N 302.330 -0.383 30 20 DBED N#Cc1ccc2c(c1)CCN[C@@H]2C(=O)N1CCN(CCO)CC1 876847876 NSLOZSFWWFCTTD-INIZCTEOSA-N 314.389 -0.118 30 20 DBED C#CCN1CCC[C@H](NS(=O)(=O)c2ccnn2COC)C1 885512662 XQZQSIQUZSERRQ-LBPRGKRZSA-N 312.395 -0.137 30 20 DBED CN(CC(=O)[C@H](C#N)C(=O)NC1CCCC1)S(C)(=O)=O 917045196 UGTQUHNLVLIEMG-JTQLQIEISA-N 301.368 -0.355 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N1CCOC[C@@H]1COC 931095225 XMFWYMQMQFOMMB-OLZOCXBDSA-N 312.366 -0.595 30 20 DBED Cn1ncc(C(=O)N2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)n1 937851013 LIGRTRXJPBBAOI-JTQLQIEISA-N 313.321 -0.341 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@@H](NC(=O)Cc3nc[nH]n3)C2)c1 942468438 DQGIQCCJUMQZAX-SNVBAGLBSA-N 313.321 -0.422 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)Cc3nc[nH]n3)C2)[nH]1 942469146 PBMYPVWNIDSGHK-SNVBAGLBSA-N 313.321 -0.422 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)c2ccc(O)nn2)C1 944459591 AWHYVPMRLMROKA-UWVGGRQHSA-N 319.321 -0.701 30 20 DBED C[C@H]1CN(C(=O)C#CC2CC2)CC[C@@H]1NC(=O)Cn1cnnn1 945311846 KTFCPAPOALVENE-AAEUAGOBSA-N 316.365 -0.560 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2[C@H]3C[C@H]2N(C(=O)CC(N)=O)C3)nc1 947672967 CQPIHQUQXNVIEI-NVBFEUDRSA-N 312.329 -0.733 30 20 DBED C=CCN1CC[C@@H](N2CCN(C(=O)[C@@H]3CCNC3=O)CC2)C1=O 949641812 AEXQNTAUQDPTFA-CHWSQXEVSA-N 320.393 -0.946 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(N(C)C(=O)[C@H]2CNC(=O)N2)CC1 954244934 BOWNAIZZLWGFDT-GXSJLCMTSA-N 307.354 -0.723 30 20 DBED C=C(Cl)CN1CCN(C(=O)c2cn(C)c(=O)nc2O)CC1 957639497 KJCWNCVEZHMKCP-UHFFFAOYSA-N 312.757 -0.004 30 20 DBED CC#CCN1C[C@H](CNC(=O)c2ccn(C)c(=O)c2)[C@@H](O)C1 958183138 LNXCPDQHIGLVSF-KBPBESRZSA-N 303.362 -0.569 30 20 DBED C=CCCN1C[C@@H](O)[C@H](CNC(=O)c2cccc(=O)n2C)C1 958394333 CQGJXFFJDZJWAC-TZMCWYRMSA-N 305.378 -0.016 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H]2[C@@H]3CN(CC(=O)N4CCC4)C[C@@H]32)c1 958499198 ARGPSYZZHIOBSQ-JYAVWHMHSA-N 313.361 -0.221 30 20 DBED C#CCCN1C[C@@H](O)[C@H](CNC(=O)c2cccc(C(N)=O)n2)C1 958736243 LHBODILCXHVFJJ-BXUZGUMPSA-N 316.361 -0.774 30 20 DBED Cc1ccnc(C(=O)N(C)[C@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)n1 958835354 LJYZEKVBTVQRGR-USWWRNFRSA-N 317.349 -0.412 30 20 DBED CO[C@@H](C)C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)C#CC1CC1 960360643 HBQVVPNWAHYHOQ-FPMFFAJLSA-N 306.362 -0.127 30 20 DBED CC(F)(F)C(=O)N1C[C@H](O)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 962325520 LBWMDCKVMKATFB-ZJUUUORDSA-N 312.276 -0.157 30 20 DBED Cc1ncc(C(=O)NC[C@@H]2COCCN2C(=O)[C@H](C)C#N)[nH]1 964124081 UWWZSZICCNUMBM-MWLCHTKSSA-N 305.338 -0.165 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CCCN(C(=O)CC(N)=O)CC2)[nH]1 964853370 SPJMRYQXNVHYHB-SNVBAGLBSA-N 317.349 -0.127 30 20 DBED CN1CC(=O)N(CC(=O)NC2CC3(CC(NCC#N)C3)C2)C1=O 965907286 CRZQOPDTCQZNQW-UHFFFAOYSA-N 319.365 -0.579 30 20 DBED C=CCN1CC[C@@H](N[C@@H]2CCN(C(=O)c3cnn[nH]3)C2)C1=O 969180943 XMBNRTFBBHMGSY-GHMZBOCLSA-N 304.354 -0.604 30 20 DBED C=C(C)CN1CC([C@H](C)NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 970890890 GQUAJYIOGCNXQX-JQWIXIFHSA-N 301.412 -0.309 30 20 DBED O=C(C#CC1CC1)N1CC[C@@H]2CN(C(=O)[C@H]3COCCO3)[C@@H]2C1 971397236 DKXFSSVKLIQPMT-RBSFLKMASA-N 318.373 -0.126 30 20 DBED C=CCN1C[C@H]2CC[C@H]1CN2C(=O)CCn1ncn(C)c1=O 971640995 UGKMSJDRELKFIP-QWHCGFSZSA-N 305.382 -0.167 30 20 DBED CN(C[C@@H]1CCN1C(=O)c1nc[nH]n1)C(=O)c1ccc(C#N)[nH]1 977596117 DGAFFQGPOVEIEW-JTQLQIEISA-N 313.321 -0.009 30 20 DBED C#CCN1C[C@H]2[C@H](CNC(=O)C3CC4(C3)CS(=O)(=O)C4)[C@H]2C1 978349060 FCDNLJJFFSJQNQ-ZSOGYDGISA-N 322.430 -0.262 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCCN([C@@H](C)C(N)=O)CC1 981361348 GZXZKOYGQAYLFE-KBPBESRZSA-N 306.410 -0.508 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](CNC(=O)c2nccnc2N)C1 983215636 NGUGSDGTDSAAIB-VHSXEESVSA-N 302.338 -0.203 30 20 DBED C[C@@H]1[C@@H](NCC#N)CCN1C(=O)C1CC2(C1)CS(=O)(=O)C2 986422174 FRDSTGOWOFTHDC-PWSUYJOCSA-N 311.407 -0.086 30 20 DBED C[C@@H]1[C@@H](NC(=O)[C@H]2CCC(=O)N2)CCN1C(=O)C#CC1CC1 987455852 OSUSTCYUUFKGNT-KGYLQXTDSA-N 303.362 -0.216 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](NC(=O)c2nccnc2N)[C@H]1C 987473521 DRGYRJISTPXMNC-BBBLOLIVSA-N 302.338 -0.062 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC(NC(=O)Cc2cc[nH]n2)C1 990605201 RMARYDQAPOXVGQ-AWEZNQCLSA-N 315.377 -0.623 30 20 DBED C#CCN1CCC[C@@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)[C@@H]1C 994178003 YLGGAHMQAILFQL-NWDGAFQWSA-N 320.393 -0.081 30 20 DBED C[C@@H]1CCN(C(=O)C(N)=O)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 1004666963 BMUPYGXBFUJCMQ-LDYMZIIASA-N 303.322 -0.662 30 20 DBED C[C@@H](NC(=O)[C@H]1CN(C)CCO1)C1CN(C(=O)C#CC2CC2)C1 1005846922 AUWWLYFLILSMDE-IUODEOHRSA-N 319.405 -0.307 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)c2nnn(C)n2)C1 1008031441 HJYOXJYGPLVAOH-BHDSKKPTSA-N 317.353 -0.519 30 20 DBED C#CCCN1CCC2(CC1)C[C@@H]2NC(=O)[C@@H]1CC(=O)NC(=O)N1 1016859647 MGSRLMDMJFTUKH-RYUDHWBXSA-N 318.377 -0.422 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn[nH]c2)C1 1023117661 XZAPQBAJDNFWOB-LPWJVIDDSA-N 320.349 -0.698 30 20 DBED C#CCN1CCC[C@@H](CNC(=O)[C@@H]2CCN(C)S2(=O)=O)C1 1023645176 ZLJQSLQGLSIPSH-STQMWFEESA-N 313.423 -0.518 30 20 DBED C=CCN[C@@H]1CC[C@@H]2CN(C(=O)CN3CC(=O)N(C)C3=O)C[C@@H]21 1026397806 QEIFUWGIWSNUAX-FRRDWIJNSA-N 320.393 -0.107 30 20 DBED N#Cc1c[nH]c(C(=O)NC2CN(C[C@H]3CCS(=O)(=O)C3)C2)c1 1030193761 BKUNWZWCGICAAR-SNVBAGLBSA-N 322.390 -0.265 30 20 DBED C#CCCN1CC[C@@H](N(CC)C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 1033951227 CJKSJLJWXCOALY-HZSPNIEDSA-N 307.394 -0.035 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2CN(C[C@H](C)O)CCO2)nc1 1035584618 XGZVWIIAHMMTHM-JSGCOSHPSA-N 303.362 -0.126 30 20 DBED Cc1ccnc2nc(C(=O)NC[C@@H]3CN(CC#N)CCO3)nn12 1035598235 SFJDNWFWWVYVHB-LLVKDONJSA-N 315.337 -0.613 30 20 DBED CS(=O)(=O)CCN1CC[C@H]1CNC(=O)c1ccc(C#N)[nH]1 1038169744 OHACKKJISPEKTQ-NSHDSACASA-N 310.379 -0.265 30 20 DBED N#Cc1ccc(CN2CC[C@@H]2CNC(=O)[C@@H]2CNC(=O)N2)cc1 1038655202 VEJWLOXXGOQQMQ-KGLIPLIRSA-N 313.361 -0.070 30 20 DBED C#CCCCC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2CCCN2C)C1 1039574506 ULNHCWYLPWOUQX-YOEHRIQHSA-N 321.421 -0.036 30 20 DBED C[C@H]1[C@@H](N=c2cc[nH]c(C#N)n2)CCN1C(=O)[C@@H]1COC(=O)N1 1040114374 YNXGIQZBZQIURL-GUBZILKMSA-N 316.321 -0.720 30 20 DBED CCc1nc[nH]c1C(=O)NC[C@]1(O)CCN(C(=O)[C@@H](C)C#N)C1 1040536559 NHDOQJGGAUPZHO-ZUZCIYMTSA-N 319.365 -0.175 30 20 DBED CCN(C)CCC(=O)N1CC[C@](O)(CNC(=O)[C@@H](C)C#N)C1 1040762163 ZRHUEHXLWQBRBL-WFASDCNBSA-N 310.398 -0.433 30 20 DBED C=CCC(C)(C)C(=O)N1CC(O)(CNC(=O)CNC(C)=O)C1 1041212757 MTPQFRBULXSJQX-UHFFFAOYSA-N 311.382 -0.586 30 20 DBED C=CCCOCC(=O)N1CC(O)(CNC(=O)c2ccc[nH]2)C1 1041442986 QUMFTGAPKMTCKX-UHFFFAOYSA-N 307.350 -0.090 30 20 DBED Cc1ccc(C#N)c(NC[C@H]2CN(C(=O)C(N)=O)CCCO2)n1 1041523763 IKGMGEJGEXXMPI-LBPRGKRZSA-N 317.349 -0.224 30 20 DBED C[C@@H](C(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1)n1cccn1 1041611064 AICHGCJEJLANAI-LBPRGKRZSA-N 316.361 -0.453 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)[C@H]2CCCOC2)C1 1042000340 PJTZALVNXTUSBR-ZDUSSCGKSA-N 324.377 -0.858 30 20 DBED N#CCN1CC[C@H]2CCN(C(=O)CN3CCC(=O)NC3=O)C[C@@H]21 1042304611 PVVYCACHSHNDIM-RYUDHWBXSA-N 319.365 -0.625 30 20 DBED C=CCN1CC[C@H]2CCN(C(=O)CN3C(=O)CNC3=O)C[C@@H]21 1042346950 YOSJRNPCFQIFJL-RYUDHWBXSA-N 306.366 -0.353 30 20 DBED Cc1ncoc1C(=O)N1CC(O)(CNC(=O)C#CC(C)C)C1 1042937131 ZEBWNDCAGLZNPD-UHFFFAOYSA-N 305.334 -0.054 30 20 DBED C=CCn1cc(C(=O)NCC2(O)CN(C(=O)C3CC3)C2)nn1 1043106600 UPPRBKVZJXQXFF-UHFFFAOYSA-N 305.338 -0.823 30 20 DBED N#Cc1nccnc1N1C[C@H](O)[C@H](NC(=O)C[C@H]2CCCO2)C1 1043852122 BTCSQFVRBWRXDF-RTXFEEFZSA-N 317.349 -0.417 30 20 DBED C#CCOc1ncccc1C(=O)NCC1(O)CN(C(=O)CC)C1 1044236242 PHOITAXFCYFBKZ-UHFFFAOYSA-N 317.345 -0.193 30 20 DBED CC#CCN1CC[C@](C)(NC(=O)[C@H]2CN(C(C)=O)CCO2)C1 1046814552 KDMSMDFYFORYPK-ZBFHGGJFSA-N 307.394 -0.162 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@]2(C)CCNC(=O)C2)C1 1047428950 RMTQEJSZVSMMEE-XEZPLFJOSA-N 307.394 -0.571 30 20 DBED C=CCCOCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C(F)F)C1 1047977702 MHAJAJGMMGVZDR-UWVGGRQHSA-N 306.309 -0.126 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)N(C)[C@H]1CN(C(C)=O)C[C@@H]1O 1048845063 YTIWTSPNTKNQBK-IHRRRGAJSA-N 311.382 -0.493 30 20 DBED C#CCN1C[C@H]2CN(C(=O)[C@@H](C)N3C(=O)CCC3=O)C[C@H]2C1 1048848352 OLQMHIDOZNPRDS-UPJWGTAASA-N 303.362 -0.453 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 1048853121 YONTUAKFWJJEMD-QEJZJMRPSA-N 318.373 -0.532 30 20 DBED C=CC(C)(C)C(=O)N(C)[C@H]1CN(C(=O)c2[nH]nnc2C)C[C@@H]1O 1049180445 HKHIEZQKJFRWPL-QWRGUYRKSA-N 321.381 -0.031 30 20 DBED C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC(=O)N2)CCN1c1cnc(C#N)cn1 1050474115 DGQAFYDKOJMRGZ-USWWRNFRSA-N 314.349 -0.290 30 20 DBED C[C@H](NC(=O)CCNC(N)=O)[C@@H]1CCN(C(=O)C#CC2CC2)C1 1050674300 YSAZFLBXJCJTNJ-WCQYABFASA-N 320.393 -0.189 30 20 DBED N#Cc1ccc(N(CCO)C2CCN(C(=O)C(N)=O)CC2)cn1 1051506888 YSOFLCLUVGDEDZ-UHFFFAOYSA-N 317.349 -0.772 30 20 DBED N#Cc1c[nH]c(C(=O)N2CCO[C@@H](CN[C@H]3CCNC3=O)C2)c1 1051524996 YZTHAPMKSJBMPB-RYUDHWBXSA-N 317.349 -0.795 30 20 DBED N#CCN1CCN([C@H]2CCN(C(=O)[C@H]3COCCO3)C2)CC1 1051988499 XAIGLKQHHUIWBZ-UONOGXRCSA-N 308.382 -0.856 30 20 DBED CC#CCN1CCN([C@@H]2CCN(C(=O)[C@H]3COC(=O)N3)C2)CC1 1052018264 GGOKNGCMGAHIIY-ZIAGYGMSSA-N 320.393 -0.663 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](C)[C@H](CNC(=O)c2nnn(C)n2)C1 1052530099 PEEANDBYXXOLIJ-VXGBXAGGSA-N 318.381 -0.306 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)c1ccc(O)nn1)CCO2 1053143616 NVTYKBGEFCREBS-UHFFFAOYSA-N 302.334 -0.268 30 20 DBED C#CCN1CC2(C1)CN(C(=O)[C@@]1(CC)CCNC1=O)CCO2 1053292048 RZBVTMQUQIDQSW-INIZCTEOSA-N 305.378 -0.551 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)[C@H]1CC(=O)N[C@H](C)C1)CCO2 1053322003 RUQKUKRKZMMAMT-ZIAGYGMSSA-N 319.405 -0.162 30 20 DBED C=C(C)CN1CC2(C[C@H](NC(=O)C[C@@H]3NC(=O)NC3=O)CO2)C1 1053831718 NJOACQPEBRWIEN-QWRGUYRKSA-N 322.365 -0.880 30 20 DBED C=CCOCC(=O)N1C[C@@H]2CN(C(=O)CNC(=O)NC)C[C@@H]2C1 1055252191 XKYAQZFVEUDOLM-TXEJJXNPSA-N 324.381 -0.965 30 20 DBED C[C@@H](C#N)C(=O)NC1CCN(CCNC(=O)CCN(C)C)CC1 1055633358 LGXHVUTTWJDPQV-ZDUSSCGKSA-N 323.441 -0.205 30 20 DBED C=CCOCC(=O)N1CCC[C@@](CO)(NC(=O)c2ncc[nH]2)C1 1055928532 AZQBQMHXQNKBET-OAHLLOKOSA-N 322.365 -0.304 30 20 DBED N#Cc1nccc(N2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)n1 1056024187 XFMDJBKDPLNAPU-ZJUUUORDSA-N 300.322 -0.882 30 20 DBED Cc1nonc1C(=O)N[C@H]1[C@@H]2CN(c3cncc(C#N)n3)C[C@@H]21 1056240775 ANOFJPZWSSDTSM-IWIIMEHWSA-N 311.305 -0.096 30 20 DBED C=CCCCC(=O)NCCN(CCO)C(=O)[C@@H]1COCCO1 1057043358 AJXIRROQNQOTHN-ZDUSSCGKSA-N 314.382 -0.305 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCCN(CCO)C(=O)c1cc[nH]n1 1057046206 LGCQHMHVDMDXOS-YPMHNXCESA-N 322.365 -0.449 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)Cn1cc(C)cn1 1057116184 UCGSBASNVDHZPN-UHFFFAOYSA-N 324.381 -0.669 30 20 DBED N#Cc1nccc(N2CCCN(C(=O)C3(C(N)=O)CC3)CC2)n1 1057222278 KGBCFCFQRPDWDP-UHFFFAOYSA-N 314.349 -0.348 30 20 DBED Cc1cc(C(=O)N(CCO)CCNC(=O)C#CC(C)C)cnn1 1057433752 VYSVJTJMMXACIX-UHFFFAOYSA-N 318.377 -0.005 30 20 DBED CC(C)(C)C#CC(=O)N(CCO)CCNC(=O)Cn1cccn1 1057539010 KQTLMSBPGBELTO-UHFFFAOYSA-N 320.393 -0.130 30 20 DBED Cc1noc(C)c1CC(=O)NCCN(CCO)C(=O)[C@H](C)C#N 1058659315 XGGQOKWKIDNTLK-SNVBAGLBSA-N 322.365 -0.069 30 20 DBED Cn1cnc(C(=O)N2[C@H]3CC[C@H]2CN(c2cncc(C#N)n2)C3)n1 1058753531 YWAIMBSRQYFMOR-RYUDHWBXSA-N 324.348 -0.030 30 20 DBED CN1C[C@@H](C(=O)N[C@H]2C[C@H](Nc3cncc(C#N)n3)C2)NC1=O 1059366317 JYVRTNZNNKBAHF-QXEWZRGKSA-N 315.337 -0.569 30 20 DBED C#CCCCC(=O)NC[C@H]1COCCN1C(=O)c1nc[nH]n1 1061538158 KZVOSCFFUYXRRS-NSHDSACASA-N 305.338 -0.435 30 20 DBED N#Cc1ccc(N2CC[C@H](CNC(=O)[C@H]3C[C@H]3C(N)=O)C2)nn1 1061732470 PBCAUZHZUFDAQE-JLLWLGSASA-N 314.349 -0.588 30 20 DBED Cc1nnsc1C(=O)N1CCOC[C@H]1CNC(=O)[C@H](C)C#N 1061845475 IEKLOWHENAFJHO-PSASIEDQSA-N 323.378 -0.037 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)c1cnnc(O)c1 1061852481 ITDHOVRLHRVVEU-KOLCDFICSA-N 319.321 -0.701 30 20 DBED C=CCOCC(=O)NCC1(NC(=O)[C@@H]2CCC(=O)N2)CCC1 1062702938 KBQNGYSVOORDLT-NSHDSACASA-N 309.366 -0.377 30 20 DBED C#CCNC(=O)CC(=O)NCC1(NC(=O)[C@@H](C)COC)CCC1 1062829518 PZVPZRGILFRGHW-LBPRGKRZSA-N 323.393 -0.437 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H]1CN(C(=O)C(F)F)CCO1 1064722816 NXVDNLRKGMETCT-VHSXEESVSA-N 304.293 -0.367 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)CNC(=O)NC)CCO1 1065247242 UZWWJELLPMTHSS-NSHDSACASA-N 312.370 -0.775 30 20 DBED N#Cc1ccc(N2C[C@H](CNC(=O)c3cccnn3)[C@@H](O)C2)nc1 1067679128 ZVAFJANEFKAWCM-JSGCOSHPSA-N 324.344 -0.030 30 20 DBED C=CCOCC(=O)N[C@@H]1COC2(C1)CN(C(=O)C(F)F)C2 1068764410 QACIQHMYUWRIND-VIFPVBQESA-N 304.293 -0.060 30 20 DBED CC1(C)CN(C(=O)CC(N)=O)C[C@H]1N=c1cc[nH]c(C#N)n1 1069548497 VMWLFPCADNOJRP-SECBINFHSA-N 302.338 -0.706 30 20 DBED C=C(C)CN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H]2CCNC2=O)C1 1069996068 NZTGFGWICUPDRO-UPJWGTAASA-N 318.381 -0.668 30 20 DBED C[C@@H](CC(N)=O)C(=O)NC1(CNC(=O)[C@H](C)C#N)CCOCC1 1070186480 ZRICMBILBRGNCL-WDEREUQCSA-N 324.381 -0.561 30 20 DBED C=CCOCC(=O)N1CCC[C@@H](NC(=O)[C@H](C)NC(C)=O)C1 1070553206 FHRWNEYIRNMVSN-WCQYABFASA-N 311.382 -0.179 30 20 DBED C#CCCN1CCNC(=O)CCN(C(=O)c2ccnnc2)CC1 1071002845 HFSAHMMKYDBMLP-UHFFFAOYSA-N 315.377 -0.236 30 20 DBED C#CCN1CC[C@@]2(C1)CN(C(=O)c1nnn(C)n1)C[C@@H](C)O2 1071197698 WUHHEOLIPHWFTE-BXUZGUMPSA-N 304.354 -0.851 30 20 DBED C=CCOCC(=O)N1C[C@H](C)[C@@H](NC(=O)C2(NC(N)=O)CC2)C1 1071809309 SKXLIBDFBBNDHB-QWRGUYRKSA-N 324.381 -0.647 30 20 DBED C=CCOCC(=O)N1C[C@@H](NC(=O)CCn2ccnn2)[C@H](C)C1 1071809719 XXNCJUAUAYOKQA-CHWSQXEVSA-N 321.381 -0.166 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CN(C(=O)COCC=C)C[C@@H]1C 1071809866 ZTKLURBJVIOWIE-STQMWFEESA-N 321.377 -0.708 30 20 DBED C#CCCCC(=O)N1C[C@H](C)[C@H](NC(=O)c2nnn(C)n2)C1 1071981362 MZZGIGZFHZPPQY-WDEREUQCSA-N 304.354 -0.410 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1C 1072160704 GRHUDODOGQGHGZ-VXGBXAGGSA-N 322.369 -0.771 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)c3cn(C)c(=O)cn3)C[C@@H]21 1074302358 OXKMSJXLNDFUFS-KBPBESRZSA-N 316.361 -0.671 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)c3ccc(C(N)=O)[nH]3)C[C@@H]21 1074341011 OMQNYFBVAWFGAJ-KBPBESRZSA-N 316.361 -0.338 30 20 DBED C[C@@H](CCNC(=O)c1cc(C#N)c[nH]1)NC(=O)C1(C(N)=O)CC1 1076074344 XIYVZTNTWUENQE-VIFPVBQESA-N 317.349 -0.224 30 20 DBED C[C@@H](CCNC(=O)C#CC1CC1)NC(=O)[C@@H]1CC(=O)N(C)C1 1076432256 IXBIGKHXVUGTHL-WCQYABFASA-N 305.378 -0.111 30 20 DBED C=CCCOCC(=O)NCC[C@H](C)NC(=O)Cn1cnnn1 1077064129 SDAYCOMPIUWSHG-NSHDSACASA-N 310.358 -0.723 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(Cc2nc(C)no2)C[C@H]1O 1077694562 VTEMCULBSDALLH-LPWJVIDDSA-N 322.365 -0.370 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)C2CCS(=O)(=O)CC2)C1 1077771002 UZKPHGYVCZDNJI-VXGBXAGGSA-N 302.396 -0.842 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2n[nH]c3c2C[C@H](C)CC3)C1 1077920279 CEQMOCARFFBQBV-LERXQTSPSA-N 302.378 -0.057 30 20 DBED C=CCOc1cccnc1C(=O)N[C@@H]1CN(C[C@H](C)O)C[C@H]1O 1077977789 PGCICSVNUWRLGE-YNEHKIRRSA-N 321.377 -0.198 30 20 DBED C#CCCCC(=O)N(CC)C1CN(C(=O)CS(C)(=O)=O)C1 1079679531 IVENXADGYZKRGA-UHFFFAOYSA-N 314.407 -0.106 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@H]1O 1081335274 JKQZYLBSMSJXIN-ZYHUDNBSSA-N 320.349 -0.715 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)c2cnn(CC)n2)C[C@H]1O 1081335780 PJBNYCZSADASGE-DGCLKSJQSA-N 321.381 -0.187 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)Cc2n[nH]c(C)n2)C[C@@H]1O 1081336463 YOKUMBTVQBEERX-NEPJUHHUSA-N 321.381 -0.443 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CCOCC2)C1 1081428660 TYVDEIHVQZGAJJ-LSDHHAIUSA-N 320.389 -0.072 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(C(=O)CC2CC2)C[C@@H]1O 1081485041 FBSVMRSQNZJDIA-KGLIPLIRSA-N 308.378 -0.238 30 20 DBED C=CC(C)(C)CC(=O)NC[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1O 1081516923 KTBWMDGXEPDHOD-GHMZBOCLSA-N 311.382 -0.600 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@H](CNC(=O)CCCC(N)=O)C1 1081578205 YAJRWVAITVAMRT-OLZOCXBDSA-N 323.393 -0.763 30 20 DBED C=CCCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2(C(N)=O)CC2)C1 1081717055 SVTZBRCFTMWTIG-NWDGAFQWSA-N 323.393 -0.456 30 20 DBED CC(=O)N1CC[C@H](C(=O)N2CCO[C@@H]3CN(CC#N)C[C@@H]32)C1 1083260862 SZIPDCWHYIHHCX-MELADBBJSA-N 306.366 -0.710 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN([C@@H](C)COC)C[C@@H]2O)cn1 1083968909 KSXOTVQUTLEYQM-GLQYFDAESA-N 303.362 -0.127 30 20 DBED CC[C@@H]1[C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)CCN1CC#N 1087833731 QXGCHEBUPMEPBU-HBNTYKKESA-N 300.384 -0.829 30 20 DBED N#CCN1C[C@@H](NC(=O)c2cnn[nH]2)CC2(CCOCC2)C1 1089946484 KGJQOSXRTVLJFH-NSHDSACASA-N 304.354 -0.071 30 20 DBED CN(C)C(=O)CN1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H](O)C1 1090199304 HFKBXLNHENIDQT-AAEUAGOBSA-N 319.365 -0.860 30 20 DBED C=CCN1CC[C@@H](NC(=O)c2nc(C)c(C)[nH]c2=O)[C@H](O)C1 1090353186 ZBUARZUBPZFGBY-VXGBXAGGSA-N 306.366 -0.262 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@H]1O 1090391222 FSIMJLCPZJSGJN-TZMCWYRMSA-N 302.334 -0.178 30 20 DBED N#CCSCC(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1O 1090395201 ZNSPSMJHUCFCMO-GHMZBOCLSA-N 318.362 -0.729 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2coc(C(N)=O)c2)[C@H](O)C1 1090449607 RGPHENIISVIEPV-VXGBXAGGSA-N 305.334 -0.433 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2nnn(CC)c2CC)[C@@H](O)C1 1090571657 ZIMCOOLDHALXSN-YPMHNXCESA-N 305.382 -0.341 30 20 DBED C=CCN1CC[C@H](NC(=O)C2CCN(C(C)=O)CC2)[C@@H](O)C1 1090793606 GEFLKTHEYBYTCA-GJZGRUSLSA-N 309.410 -0.018 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)c2c[nH]c(C(N)=O)c2)[C@@H](O)C1 1090813332 OYHQWIBCWHDXOJ-AAEUAGOBSA-N 306.366 -0.145 30 20 DBED CO[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1NC(=O)[C@H](C)C#N 1090865291 SKYFMIDBQODSTJ-YUSALJHKSA-N 300.322 -0.172 30 20 DBED COCC1(C(=O)N[C@@H]2CN(c3cnc(C#N)cn3)C[C@@H]2O)CC1 1091162401 UIVOUMDJZKDISZ-NEPJUHHUSA-N 317.349 -0.559 30 20 DBED COCCC(=O)N[C@@H]1CCN(c2ccc(C#N)nn2)C[C@@H]1O 1092132830 XTVXREASSVFSCX-NEPJUHHUSA-N 305.338 -0.559 30 20 DBED C#CCNC1CCC2(CC1)CN(C(=O)[C@H]1CCNC1=O)CCO2 1093403228 KAJXGQLMFKEZKF-UUCFBXCCSA-N 319.405 -0.115 30 20 DBED C#CCNC(=O)CC(=O)NCCCNc1nc(C)cc(OC)n1 1094371765 SNMUIJXTWVMPRU-UHFFFAOYSA-N 319.365 -0.149 30 20 DBED CN1CC[C@@H](C(=O)NCCCNc2ccc(C#N)nn2)C1=O 1094704886 HYUDZOFLTAUKNI-NSHDSACASA-N 302.338 -0.255 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)Cc3nnc(C)o3)CC2=O)C1 1094735994 YXSRLVKAODNBCR-LLVKDONJSA-N 319.365 -0.492 30 20 DBED C#CCCN1CC(N2C[C@H](NC(=O)[C@H]3CCN(C)C3)CC2=O)C1 1094815213 OHYNEUDPMSTUEU-UONOGXRCSA-N 318.421 -0.637 30 20 DBED CN(CCCNC(=O)CCn1cncn1)c1ccnc(C#N)n1 1095479626 SSHNZEHDHDVZAZ-UHFFFAOYSA-N 314.353 -0.027 30 20 DBED CN(CCCNC(=O)c1cc(=O)n(C)o1)c1ccc(C#N)nn1 1095542350 OHASBVHONNUYEK-UHFFFAOYSA-N 316.321 -0.104 30 20 DBED CN(CCCNC(=O)[C@@H]1CNC(=O)N1)c1ncccc1C#N 1095715232 LBGKFKOTEMBKBD-NSHDSACASA-N 302.338 -0.423 30 20 DBED N#Cc1cncc(N2CC[C@@H](NC(=O)CCc3nc[nH]n3)C2)n1 1096367853 UEPZYCDYYXUOPA-SNVBAGLBSA-N 312.337 -0.206 30 20 DBED N#Cc1cncc(N[C@H]2C[C@H](NC(=O)C(=O)NCC(F)F)C2)n1 1097078378 MTADUIOGNVJQJW-ZKCHVHJHSA-N 324.291 -0.211 30 20 DBED C[C@H](CNC(=O)[C@@H]1CN(C)CCO1)Nc1cnc(C#N)cn1 1097767761 BGPHYHKSTIUZDM-PWSUYJOCSA-N 304.354 -0.405 30 20 DBED C[C@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)Nc1cnc(C#N)cn1 1098264686 OMQVDPXEZFOEEK-DVVUODLYSA-N 318.337 -0.702 30 20 DBED C=CCN(CCO)C1CCN(C(=O)C[C@@H]2CC(=O)NC2=O)CC1 1098588545 MLTAPYFVHHYYAM-LBPRGKRZSA-N 323.393 -0.490 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(Cc2ncnn2CC)C[C@H]1O 1099741278 QLJKJMUQUBCSAQ-CHWSQXEVSA-N 323.397 -0.448 30 20 DBED C#CCCCCC(=O)N[C@@H]1CCN(Cc2nnnn2C)C[C@@H]1O 1099785299 DODLTEHKXBCETM-OLZOCXBDSA-N 320.397 -0.545 30 20 DBED Cc1nc(CC(=O)NCCN(C)c2nccnc2C#N)n[nH]1 1100063178 UCQOJFRCRZATFB-UHFFFAOYSA-N 300.326 -0.430 30 20 DBED N#Cc1cncc(N2CCC[C@@H]2CCNC(=O)CNC(N)=O)n1 1103725921 RUXRJUNIEOJPRO-LLVKDONJSA-N 317.353 -0.508 30 20 DBED C[C@@H](CNC(=O)Cn1nccn1)CNc1cnc(C#N)cn1 1104110259 OGZYLWNAYBXHEC-SNVBAGLBSA-N 300.326 -0.196 30 20 DBED C#CCNCC[C@@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@H]1C 1104213604 GZGOSIURAOUSMB-VXGBXAGGSA-N 318.381 -0.916 30 20 DBED C=CCNCC[C@@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@H]1C 1104486686 JMFGXBXSDLUIOC-ZIAGYGMSSA-N 308.426 -0.322 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)CCc1nc[nH]n1 1104515861 NRXRVPHVBNXLET-SNVBAGLBSA-N 314.353 -0.220 30 20 DBED C[C@@H](CNc1cncc(C#N)n1)N(C)C(=O)[C@@H]1CCC(=O)N1 1104642778 NZQQTRYIGPXYHJ-ONGXEEELSA-N 302.338 -0.114 30 20 DBED CCCC(=O)NCC(=O)NC[C@H](O)CNc1ccc(C#N)cn1 1105726341 BARBTAFVVUZYMW-GFCCVEGCSA-N 319.365 -0.241 30 20 DBED Cc1cc(=NC[C@@H](O)CNC(=O)CSCC#N)c(C#N)c[nH]1 1105755630 UUTOTGTXFJHNQW-GFCCVEGCSA-N 319.390 -0.171 30 20 DBED N#Cc1nc(=NC[C@@H](O)CNC(=O)c2ccncc2F)cc[nH]1 1105762379 OSRLMJUTDSIYBM-SECBINFHSA-N 316.296 -0.493 30 20 DBED Cn1ccc(CC(=O)NC[C@@H](O)CNc2cnc(C#N)cn2)n1 1105817879 BDXVNCCKKJDSKB-LBPRGKRZSA-N 315.337 -0.787 30 20 DBED C[C@@H]1CC[C@H](C(=O)NC[C@H](O)CN=c2cc[nH]c(C#N)n2)O1 1106110103 GTBIFMJDRPCJGG-GMTAPVOTSA-N 305.338 -0.773 30 20 DBED C#CCCCC(=O)NC[C@]1(C)CN([C@@H]2CCNC2=O)CCO1 1107901282 MJPBFAOTUZJZDY-CZUORRHYSA-N 307.394 -0.115 30 20 DBED CC#CCN1CCO[C@](C)(CNC(=O)C[C@@H]2CCNC2=O)C1 1107995252 XJOIAGZKSBOMOO-XJKSGUPXSA-N 307.394 -0.257 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)c1cc(=O)n(C)cn1 1108185698 CWQWOHFDGNRMJD-SECBINFHSA-N 313.321 -0.906 30 20 DBED C#CCN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(C)S(C)(=O)=O)C2 1108699565 FYVRWUPJBTYEBY-XQQFMLRXSA-N 313.423 -0.520 30 20 DBED N#Cc1nccc(N2CC[C@](O)(CNC(=O)c3cnon3)C2)n1 1111091697 WJHXUHHNGHUZFI-ZDUSSCGKSA-N 315.293 -0.898 30 20 DBED C=C[C@](C)(O)CC(=O)N(CCO)CCNc1ccc(C#N)nn1 1111467035 SENYYFDPKCXZMU-HNNXBMFYSA-N 319.365 -0.092 30 20 DBED N#Cc1nccc(NC2(CNC(=O)Cn3ncnn3)CCC2)n1 1111851402 XTZVSLMWEATPLN-UHFFFAOYSA-N 313.325 -0.514 30 20 DBED Cc1cc(C#N)nc(N(C)CCCN(C)C(=O)CC(N)=O)n1 1112065225 NLFIHZZHLOVOMI-UHFFFAOYSA-N 304.354 -0.183 30 20 DBED C[C@H](CC(=O)N1C[C@@H](NCC#N)[C@H](C(F)(F)F)C1)NC(N)=O 1112101468 OGOYZWUHDKKDOM-IWSPIJDZSA-N 321.303 -0.064 30 20 DBED C[C@@H]1CN(C(=O)CNC(N)=O)C[C@@H]1N=c1cc[nH]cc1C#N 1112306879 NSFNADUSEUREJP-SKDRFNHKSA-N 302.338 -0.698 30 20 DBED CCOCC(=O)NC1(CO)CCN(c2cnc(C#N)cn2)CC1 1112648566 XJJFUTCFYFGOBD-UHFFFAOYSA-N 319.365 -0.168 30 20 DBED CC(C)OCC(=O)NC[C@@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1112710615 ZGZVJJLILAOLQW-NEPJUHHUSA-N 319.365 -0.313 30 20 DBED N#Cc1cnc(N2C[C@H](CNC(=O)C(N)=O)[C@@H](O)C2)c(Cl)c1 1112751624 RDVWVKDFDPFAEU-WPRPVWTQSA-N 323.740 -0.995 30 20 DBED C#CCNC(=O)CC(=O)N1CCN(C[C@@H]2C[C@]23CCOC3)CC1 1112777538 BIQGHSIDBBJNPU-YOEHRIQHSA-N 319.405 -0.303 30 20 DBED COCCOC[C@@H](O)CN1CCN(C(=O)C#CC(C)C)CC1 1112832971 ARVLDVYXYAHWDJ-HNNXBMFYSA-N 312.410 -0.186 30 20 DBED CCNC(=O)CC(=O)NC[C@H](C)N(C)c1ccc(C#N)nn1 1113567233 MZJLHNXHLIZHMY-JTQLQIEISA-N 304.354 -0.185 30 20 DBED COCc1noc(CN2C[C@H]3[C@H](NC(=O)[C@H](C)C#N)[C@H]3C2)n1 1114064763 VDGAPMNIHOALNA-DNJQJEMRSA-N 305.338 -0.078 30 20 DBED C=CCNC(=O)NC(=O)CN1C[C@H]2[C@H](NC(=O)[C@@H](C)C#N)[C@H]2C1 1114067220 OSKVDCBPNCDZTF-MEWQQHAOSA-N 319.365 -0.796 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@@H]2CN(Cc3ccccn3)C[C@@H]12 1114157648 JFFHKEZRNBUICY-ZIAGYGMSSA-N 312.373 -0.233 30 20 DBED C=C[C@](C)(O)CC(=O)NC1[C@H]2CN(CC(=O)NCC3CC3)C[C@H]12 1114193795 HPZISCXLTSDGFR-DCGLDWPTSA-N 321.421 -0.114 30 20 DBED COC(=O)NCC(=O)N[C@H](C)CCCN=c1cc[nH]c(C#N)n1 1114844951 ZCRXSCLEQSXQHD-SNVBAGLBSA-N 320.353 -0.177 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)Cc3ncc[nH]3)[C@H]2C1 1115016413 WHSHMPGJBXPBQB-HBYGRHMLSA-N 303.366 -0.699 30 20 DBED C#CCCN1C[C@H]2[C@H](NC(=O)CC[C@@H]3NC(=O)NC3=O)[C@H]2C1 1115216801 JOOSKUQIRWGIGI-SRRSOLGSSA-N 304.350 -0.956 30 20 DBED CCn1cccc(CNC(=O)C(=O)N2CCO[C@H](C#N)C2)c1=O 1117667351 SDPGKQOQJMWKLM-GFCCVEGCSA-N 318.333 -0.765 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@H](CO)Nc1nc(C)cc(C#N)n1 1121405957 ROPCOFZITRFNFI-DOMZBBRYSA-N 319.365 -0.127 30 20 DBED CCn1cnc(C(=O)NC[C@@H](CO)Nc2ccc(C#N)nn2)c1 1121853757 GVPFFBGRSCXGGN-NSHDSACASA-N 315.337 -0.233 30 20 DBED CNC(=O)CC(=O)N1CC[C@H](N=c2cc[nH]cc2C#N)[C@H]1C 1122973234 YMMCWTQKEZWHFV-PWSUYJOCSA-N 301.350 -0.087 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)Cc1ccco1 1124466030 FXIOCWKCCIRUGT-LLVKDONJSA-N 315.333 -0.163 30 20 DBED C#CCO[C@H](C)C(=O)NCCNC[C@H](O)COCc1ccco1 1127052066 QQOAHAGKIQFBBQ-KGLIPLIRSA-N 324.377 -0.099 30 20 DBED N#CCN1CCn2ncc(CNC(=O)C(=O)NCC3CC3)c2C1 1128530032 JVMSVZMQLXFWDP-UHFFFAOYSA-N 316.365 -0.635 30 20 DBED N#CCNC(=O)CNCCNC(=O)Cc1cc(C2CC2)no1 1129250585 VJZJYXUABULUNZ-UHFFFAOYSA-N 305.338 -0.560 30 20 DBED C=C(C)C[C@@H](C)C(=O)N1C[C@H](n2ccnn2)[C@H](NCC(N)=O)C1 1129980446 LSWFQVGZAPAFPP-UPJWGTAASA-N 320.397 -0.293 30 20 DBED C#CCOCCC(=O)N[C@H]1CC[C@H](C)N(Cc2nnnn2C)C1 1132042090 PQKGDUMDBXWQCQ-STQMWFEESA-N 320.397 -0.281 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)C[C@@H](C)NCC(=O)NCC=C 1134130406 HHPHBUKURWMBAV-CHWSQXEVSA-N 322.409 -0.699 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)c1c(C)nn(C)c1OC 1134600532 UTXCNJUIODWDHY-LLVKDONJSA-N 323.397 -0.253 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)C2(C(=O)N(C)C)CC2)C1=O 1147307178 HCKBMYBKXXZFSR-LBPRGKRZSA-N 322.409 -0.653 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC2(CCN(CCOCCO)C2)C1 1147530347 KDNKQUAVAUCWJR-AWEZNQCLSA-N 310.394 -0.432 30 20 DBED N#CCNC(=O)CN1CCCO[C@H](CNC(=O)/C=C\C2CC2)C1 1149522007 RUIKWSYWOOBZAH-ZRUQZJFASA-N 320.393 -0.201 30 20 DBED CC(=O)NCCOCCNCCCNC(=O)c1ccc(C#N)[nH]1 1156691215 LLHBMWJDRJQDNV-UHFFFAOYSA-N 321.381 -0.251 30 20 DBED C#CCNC(=O)CC(=O)NCCCN[C@H](C)C(=O)N[C@@H](C)CC 1156857242 JJNFXSUASMZTTF-QWHCGFSZSA-N 324.425 -0.475 30 20 DBED CCN(CC#N)[C@H](C)CNC(=O)CCS(=O)(=O)N(C)C 1157063859 YYZNWRINGXXXMA-LLVKDONJSA-N 304.416 -0.382 30 20 DBED C=C(Cl)CNCCCNC(=O)Cn1ccc(=O)n(C)c1=O 1159327423 JHJXXUWMHIDQMB-UHFFFAOYSA-N 314.773 -0.605 30 20 DBED C#CCOc1ncccc1C(=O)NCCCN[C@@H](C)C(=O)NC 1171548665 BSVMAUIOZXXZCO-LBPRGKRZSA-N 318.377 -0.062 30 20 DBED C=CCNC(=O)CNCCCNC(=O)CCn1cc(C)cn1 1176933406 BKVURWNAMUWXKY-UHFFFAOYSA-N 307.398 -0.020 30 20 DBED COCC#CCN[C@H]1CCN(C(=O)c2cn(C)c(O)n2)[C@H]1C 1179467770 PSDXZQLDHYAFEM-RYUDHWBXSA-N 306.366 -0.032 30 20 DBED C=CCOCCN[C@H]1CCN(C(=O)C[C@@H]2CC(=O)NC2=O)[C@H]1C 1180324937 CSSONEGRQDFCMF-AVGNSLFASA-N 323.393 -0.179 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2cnsn2)C1 1181217313 XNMXKDGSPPQIDG-VHSXEESVSA-N 307.379 -0.520 30 20 DBED C#CCNC[C@]1(C)CN(C(=O)CCNS(C)(=O)=O)C[C@H]1C 1181657686 AHKCSNBUXKAEEX-TZMCWYRMSA-N 315.439 -0.367 30 20 DBED C#CCNC[C@@H]1CCN(C(=O)Cn2c(O)nnc2O)C[C@H]1C 1185572902 KVWFMDYEPUGPNG-MNOVXSKESA-N 307.354 -0.603 30 20 DBED C#CCCN[C@@H]1CCN(C(=O)CCNC(=O)c2cnccn2)C1 1187953276 DKAYRUSRPDWCMI-CYBMUJFWSA-N 315.377 -0.190 30 20 DBED CN(CC(=O)NCC#N)[C@H]1CCN(C(=O)COC(C)(C)C)C1 1189752662 UNDWLYPETMYCKQ-LBPRGKRZSA-N 310.398 -0.026 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2ccc(C)n2C)C1 1191000142 SPJILAKRPNCBFC-TZMCWYRMSA-N 320.393 -0.589 30 20 DBED C=CCOCCN(C)[C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1 1192906258 JSMDRCHWIGXYQD-GFCCVEGCSA-N 324.381 -0.727 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCC(=O)N2)C1 1196846142 WWFWWBNUUQTWSO-JHJVBQTASA-N 311.382 -0.981 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCCN(C(=O)c2ccnnc2)CC1 1197254712 MCOCMPIBKOBTCL-CYBMUJFWSA-N 315.377 -0.238 30 20 DBED C=CCC1(C(=O)N[C@@H]2CN(CC(N)=O)C[C@H]2O)CCOCC1 1198200428 TUEVSBQBZPEPIZ-VXGBXAGGSA-N 311.382 -0.994 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)CCCC(=O)NC)CC1 1200202128 RHNIYVVSAKHLQG-UHFFFAOYSA-N 322.409 -0.767 30 20 DBED C#CCNC[C@H]1CN(C(=O)[C@H](C)CS(C)(=O)=O)CCCO1 1202174149 QTPDMDZFFJDMKW-OLZOCXBDSA-N 316.423 -0.493 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCCN(C(=O)c2cn[nH]c2)C1 1207491199 ZVVGEJZBLMKBJG-YPMHNXCESA-N 303.366 -0.258 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2[nH]c(O)nc2C)[C@H](C)C1 1207652637 DJZONXOIVJERKC-MWLCHTKSSA-N 319.365 -0.777 30 20 DBED CCS(=O)(=O)NCCN[C@H]1CCCN(C(=O)[C@H](C)C#N)C1 1207693293 OLRIOBCPDFMOLC-NEPJUHHUSA-N 316.427 -0.334 30 20 DBED C[C@@H](N[C@@H]1CCCN(C(=O)C#CC2CC2)C1)C(=O)NC(N)=O 1208008782 LAFUFGMNGRTAOF-ZYHUDNBSSA-N 306.366 -0.436 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)c2[nH]nnc2C)C1 1208899670 COUURCNZGZGESA-NSHDSACASA-N 304.354 -0.943 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2cc(C)no2)[C@H](OC)C1 1211841347 YBHAVXRTYFOQPE-DGCLKSJQSA-N 320.349 -0.839 30 20 DBED CCN(CC)C(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H](C)C#N 1217531884 BNIQOQPSXGFGNN-HZSPNIEDSA-N 322.409 -0.074 30 20 DBED C=CCC(C)(C)C(=O)N[C@@H]1CN([C@@H]2CCN(C)C2=O)C[C@@H]1O 1220437137 VZOZGUZEPBFCDJ-UPJWGTAASA-N 309.410 -0.019 30 20 DBED C=CCN1CC[C@@H]2CN(C(=O)CS(=O)(=O)N(C)C)[C@@H]2C1 1221988922 LSTCWKQSAMXFRM-VXGBXAGGSA-N 301.412 -0.404 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)[C@@H]2C[C@H]2OCC)CC1 1222455486 RTGMNUXNHSRKAA-HUUCEWRRSA-N 321.421 -0.011 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC(CNC(=O)[C@@H](C)OC)CC1 1222512266 QPPUNTYHLOZZCW-CHWSQXEVSA-N 309.410 -0.013 30 20 DBED C=CCNC(=O)[C@H](C)N1CCC(NC(=O)Cn2nccn2)CC1 1227554727 LBCWKYRQIJVEHA-LBPRGKRZSA-N 320.397 -0.451 30 20 DBED CN(C)[C@@H](Cn1cccn1)C(=O)NC1CCN(CC#N)CC1 1227798231 UMMJUMOMZQXWND-AWEZNQCLSA-N 304.398 -0.083 30 20 DBED N#CCCN(CCC#N)C(=O)CN1C(=O)N[C@]2(CCOC2)C1=O 1253647364 YMIDWQNWAPLBBD-AWEZNQCLSA-N 319.321 -0.647 30 20 DBED CNC(=O)[C@@H](C#N)C(=O)CSc1nnnn1CC(F)(F)F 1263289340 BMGAUIWYNLFHKI-YFKPBYRVSA-N 322.272 -0.218 30 20 DBED C#CCNC[C@H]1CCCCN1C(=O)CN1C(=O)CN(C)C1=O 1280460081 ZFIQQSCXCZCRCV-GFCCVEGCSA-N 306.366 -0.516 30 20 DBED CN(CCNS(C)(=O)=O)C(=O)C#Cc1ccc2c(c1)OCO2 1319336165 PIWFOSAZWHUNLQ-UHFFFAOYSA-N 324.358 -0.226 30 20 DBED C=CCC[C@H](O)CN1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 1319636058 RJOJETKRZNLHKC-MELADBBJSA-N 318.439 -0.911 30 20 DBED C#CCCCNC(=O)C(=O)N1CCCC[C@@H](S(C)(=O)=O)C1 1322980991 LPWNVSSQYYKXRI-GFCCVEGCSA-N 314.407 -0.058 30 20 DBED CS(=O)(=O)CCCCCNC(=O)C(=O)NCCCC#N 1324062297 NLKFITRDTNHCAL-UHFFFAOYSA-N 303.384 -0.263 30 20 DBED C[C@@H]1CS(=O)(=O)CCN1C(=O)NC1CCN(CC#N)CC1 1324395447 GDRIXWACVRPRPC-LLVKDONJSA-N 314.411 -0.197 30 20 DBED O=C(Cc1ccc(S(=O)(=O)CCO)cc1)NCC#CCO 1327095835 DZMRBPOCRMBHCP-UHFFFAOYSA-N 311.359 -0.893 30 20 DBED CN(C)C(=O)CN1CCC(NC(=O)C#CC2CCNCC2)CC1 1327601900 REMLQMNLSMTRID-UHFFFAOYSA-N 320.437 -0.342 30 20 DBED C=CCn1cc(CNC(=O)C(=O)NCCn2cccc2)nn1 1332045688 QTLMKIVAXGTVSV-UHFFFAOYSA-N 302.338 -0.302 30 20 DBED CC[C@@]1(CO)CCCN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)C1 1332371984 JUUPTJURLWUXKD-CVEARBPZSA-N 323.393 -0.125 30 20 DBED C#CCNS(=O)(=O)N1CCN(Cc2c(C)n[nH]c2C)CC1 1333850535 PLMNVKWYXMPRLY-UHFFFAOYSA-N 311.411 -0.388 30 20 DBED C#CCNCC(=O)N(C)CC(=O)N1CCC(C(=O)OCC)CC1 1343543170 NZBXLBLZALTZEZ-UHFFFAOYSA-N 323.393 -0.531 30 20 DBED CC[C@@](COC)(NC(=O)[C@H](C)n1cnc(C#N)n1)C(=O)OC 1361851672 IPBDRJKGYKSGRA-ZANVPECISA-N 309.326 -0.205 30 20 DBED C[C@@H]1C[C@H](NS(=O)(=O)N2CCO[C@H](C#N)C2)c2nccn21 1364866277 SMTKKGUVDZAUFZ-MXWKQRLJSA-N 311.367 -0.052 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N2CC[C@H](c3nc[nH]n3)C2)CCO1 1365725659 VSBXRGBOZHSTDS-VHSXEESVSA-N 312.355 -0.937 30 20 DBED C[C@H](NC(N)=O)C(=O)NC1CN(Cc2ccc(C#N)cc2)C1 1373422881 JLGDYWKVMSELAV-JTQLQIEISA-N 301.350 -0.085 30 20 DBED C[C@@H](CN(C)C(=O)c1cc(C#N)c[nH]1)NC(=O)[C@@H]1COCCO1 1395556389 XTELUIWROMWACT-GWCFXTLKSA-N 320.349 -0.122 30 20 DBED C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)CNC(=O)[C@H]1CCC(=O)N1 1409669115 MHWBDMNWIHHFNL-MWLCHTKSSA-N 317.349 -0.353 30 20 DBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@@H]1CO 1412700835 DHQGMZGDDIZHHI-CMPLNLGQSA-N 323.374 -0.182 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)CCc2cncn2C)C1 1413980170 UWNIHTGCYYHSFO-RAIGVLPGSA-N 319.365 -0.800 30 20 DBED C[C@@H](CN(C)C(=O)COCc1nncn1C)NC(=O)[C@@H](C)C#N 1427696995 NRDOYCGFUOSJRH-QWRGUYRKSA-N 322.369 -0.546 30 20 DBED N#C[C@H]1CCCN(C(=O)CCn2cc(S(N)(=O)=O)cn2)C1 1434351444 VGYAHGIHAGZYSJ-SNVBAGLBSA-N 311.367 -0.317 30 20 DBED C[C@H](CN(C)Cc1nc(=O)n(C)[nH]1)NC(=O)c1cc(C#N)c[nH]1 1445683810 GIZVVWWGCKBFHQ-SECBINFHSA-N 317.353 -0.442 30 20 DBED C[C@@H](CCS(C)(=O)=O)Nc1[nH]c(=O)n(C)c(=O)c1C#N 1458263925 HKUUYZVGRBIRHV-ZETCQYMHSA-N 300.340 -0.820 30 20 DBED COCC#CCN1CC[C@H](NC(=O)[C@@H]2CCCN(C(N)=O)C2)C1 1479958371 QNSDZVWKEOAVDA-KGLIPLIRSA-N 322.409 -0.383 30 20 DBED CCC(=O)NCC(=O)NCCN(CC)C(=O)c1cc(C#N)c[nH]1 1496688239 SBYBRAYLVWBKAN-UHFFFAOYSA-N 319.365 -0.009 30 20 DBED CC(=O)NCC(=O)N[C@H](C)C1CN(C(=O)c2c[nH]c(C#N)c2)C1 1509377022 SVPGRUMWAGTZMQ-SECBINFHSA-N 317.349 -0.401 30 20 DBED C#CCC1(O)CCN(S(=O)(=O)c2cc(C(=O)O)no2)CC1 1573302470 BUROWHDZOWTXNI-UHFFFAOYSA-N 314.319 -0.088 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)NC[C@@]1(C(=O)O)CCCOC1 1573398870 IWABUXWAIZJZDO-PWSUYJOCSA-N 319.383 -0.206 30 20 DBED COCCN(C)CCNc1cnc(-c2nn[nH]n2)c(C#N)n1 1579790952 KLAQGZBFDBFOII-UHFFFAOYSA-N 303.330 -0.482 30 20 DBED Cn1cnnc1[C@H]1CCN(c2cnc(-c3nn[nH]n3)c(C#N)n2)C1 1581818572 BBIGBJFNVNFLRG-QMMMGPOBSA-N 323.324 -0.349 30 20 DBED CS(C)(=O)=NCCNc1cnc(C#N)c(-c2nn[nH]n2)n1 1591685291 MUYLTBKTNUNECX-UHFFFAOYSA-N 307.343 -0.332 30 20 DBED N#Cc1c(-c2nn[nH]n2)nc(N)n1CC(=O)N1CCCCC1 1592682371 XXHDYNOKNBCXDL-UHFFFAOYSA-N 301.314 -0.470 30 20 DBED COC[C@]1(C(=O)O)CN(C(=O)[C@@]2(C#N)CCCOC2)CCO1 1593974450 MLPJOKYEAWEXAL-KGLIPLIRSA-N 312.322 -0.365 30 20 DBED N#Cc1ccc(CNS(=O)(=O)N2CCC[C@H]2C(=O)O)nc1 1594620895 ULDJTSRHXCSZFY-NSHDSACASA-N 310.335 -0.163 30 20 DBED C#CCN1CCN(C(=O)CN2C[C@@H]3CCC[C@]3(C(=O)O)C2)CC1 1602720036 IVCIHUJUQNYNKC-YOEHRIQHSA-N 319.405 -0.050 30 20 DBED C=CCOC[C@H](NC(=O)CCCN1C(=O)CNC1=O)C(=O)O 1602910418 YOYXZBIRRABJLW-VIFPVBQESA-N 313.310 -0.910 30 20 DBED CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N1CC(O)(C(=O)O)C1 1603364475 AMMSRDLANIOMPJ-CYBMUJFWSA-N 312.322 -0.094 30 20 DBED CN1C[C@H](C(=O)O)N(C(=O)COc2ccc(C#N)cc2)CC1=O 1606200441 TZVHXTPPAWPIGV-GFCCVEGCSA-N 317.301 -0.309 30 20 DBED N#Cc1cc(C(=O)NC2(CNC(=O)[C@H]3C[C@H]3C(=O)O)CC2)c[nH]1 1608193873 MLDXKEOQWCQQFC-WDEREUQCSA-N 316.317 -0.014 30 20 DBED O=C(O)[C@H]1CS(=O)(=O)CCN1C(=O)C#Cc1cccs1 1608647705 RYLNEUAVUIBTTP-SNVBAGLBSA-N 313.356 -0.190 30 20 DBED N#C[C@H]1CN(S(=O)(=O)N2CCC[C@@H]2CC(=O)O)CCO1 1610620262 DCDGUSQIQCASJR-ZJUUUORDSA-N 303.340 -0.605 30 20 DBED CC(=O)N[C@@H](CC(=O)NCc1ccc(OCC#N)cc1)C(N)=O 1645583662 KKZIVKHFFDGWBN-ZDUSSCGKSA-N 318.333 -0.415 30 20 DBED CNC(=O)[C@@H]1CN(S(=O)(=O)c2cncc(C#N)c2)CCO1 1649809460 IGZCLYRQTFOBLU-NSHDSACASA-N 310.335 -0.911 30 20 DBED COCC#CCN[C@@H](CNC(=O)c1nnc(O)nc1O)C1CC1 1752470730 IUVYFELPEBXVFB-JTQLQIEISA-N 321.337 -0.969 30 20 DBED C=CCCN[C@@H](C)CNC(=O)CN1CCS(=O)(=O)CC1 1752917171 GXZJZHKHZFZPME-LBPRGKRZSA-N 303.428 -0.613 30 20 DBED CN(CCNC(=O)[C@@H]1CCC[C@H](N(C)C)C1)CC(=O)NCC#N 1753070578 GESREEPMXMGBGK-KGLIPLIRSA-N 323.441 -0.205 30 20 DBED C=CCNC[C@@H](C)N(C)C(=O)Cn1[nH]cc2c(=O)ncnc1-2 1753719158 YPLGCUJXNBBDEK-SNVBAGLBSA-N 304.354 -0.306 30 20 DBED CC#CCNC[C@@H](CC(C)C)NC(=O)Cn1cnc(C(N)=O)n1 1753735314 TZDAOJLGZYOALG-GFCCVEGCSA-N 320.397 -0.479 30 20 DBED CC(C)C#CC(=O)NC[C@H](O)CNCc1noc2c1COCC2 1753909143 FULRYIUMFGOGBG-GFCCVEGCSA-N 321.377 -0.027 30 20 DBED C#CCN1CCC(C(=O)NC[C@H](O)CN[C@@H](C)COC)CC1 1753946052 CXHJXRPBISPZRD-DZGCQCFKSA-N 311.426 -0.567 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)N[C@H]1[C@H]2C[C@H]1N(CC#N)C2 1754431912 XNXZEQFBQZBGAH-TUAOUCFPSA-N 305.382 -0.037 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CCN1C[C@@H](O)Cn1cccn1 1754483888 QOPSPMGHEOKNBV-LSDHHAIUSA-N 302.378 -0.152 30 20 DBED C#CCN(C(=O)Cc1nonc1C)C1CCN(CCO)CC1 1754642438 XZZRHDAGKWRLSK-UHFFFAOYSA-N 306.366 -0.161 30 20 DBED CC#CCN1CC[C@@](C)(NC(=O)CCc2nnc(O)nc2O)C1 1754674784 CJTVREUMOJXVSU-OAHLLOKOSA-N 319.365 -0.181 30 20 DBED C=C(C)CN1CC(O)(CNC(=O)CS(=O)(=O)CCCC)C1 1754779916 VPKMGFGVIQIDKY-UHFFFAOYSA-N 318.439 -0.060 30 20 DBED C#CCNC(=O)CN[C@H](C)[C@@H]1CCN(C(=O)c2[nH]cnc2C)C1 1754809580 VNWJJRWKNDZDGM-DGCLKSJQSA-N 317.393 -0.092 30 20 DBED C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CCO[C@H](CNCC#N)C1 1755006667 DCEUOLJKRRNQDE-VXGBXAGGSA-N 310.398 -0.122 30 20 DBED COc1cncc(C(=O)N2CCC[C@@](CO)(NCC#N)C2)n1 1755089678 UJDSMSLMBAFQRV-CQSZACIVSA-N 305.338 -0.435 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@H](C)CNC(=O)c1ccnc(C)n1 1755326699 VLMSEYOVKQLURI-NEPJUHHUSA-N 317.393 -0.027 30 20 DBED C#CCN[C@H](C)[C@@H]1CN(C(=O)CCN2CCCC2=O)CCO1 1755448979 ZSBRCJXTNUUUJF-KGLIPLIRSA-N 307.394 -0.162 30 20 DBED C=CCn1cc(C(=O)NC[C@@H](CO)NCc2ncc(C)o2)nn1 1755640204 GWBRPAHYKFHHBB-NSHDSACASA-N 320.353 -0.359 30 20 DBED C#CCNC[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1C(F)(F)F 1755769155 ZPWATTRVKVDKNO-NXEZZACHSA-N 316.287 -0.467 30 20 DBED C#CCNC(=O)CNC[C@H](O)CN(C)C(=O)C1CC(F)(F)C1 1755777142 JTIPQBHFIKLEPU-NSHDSACASA-N 317.336 -0.810 30 20 DBED CN(C[C@@H](O)CNCC#N)C(=O)c1ccc2c(c1)OCC(=O)N2 1755782384 UNCGZHIYWOPZEK-NSHDSACASA-N 318.333 -0.436 30 20 DBED C#CCNC[C@H](O)CN(C)C(=O)c1ccnc(-n2ccnc2)c1 1755796083 LRTJARLAVCDZNU-AWEZNQCLSA-N 313.361 -0.077 30 20 DBED C#CCNC(=O)CC(=O)N1CC([C@H](C)NC(=O)C[C@@H](C)OC)C1 1756130785 VHXPBINAYGGTCO-NEPJUHHUSA-N 323.393 -0.486 30 20 DBED Cn1nncc1C(=O)N[C@H](CO)CNC(=O)C#CC(C)(C)C 1756519246 CXPYMWCZMWEGOA-JTQLQIEISA-N 307.354 -0.929 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H](CO)CNC(=O)c1nocc1C 1756568148 MRVZDMGSOVLCRY-YGRLFVJLSA-N 311.338 -0.483 30 20 DBED CC(C)C#CC(=O)N(C)C1CC(NC(=O)[C@H]2C[C@H]2C(N)=O)C1 1756739996 QVBQJCYAUWTVKQ-TUUUFIMRSA-N 305.378 -0.127 30 20 DBED C=CCCCC(=O)N1C[C@H](O)[C@H](NC(=O)CN2CCCC2=O)C1 1757152803 DZCPXMPQYVZQHE-OLZOCXBDSA-N 323.393 -0.347 30 20 DBED CC(C)C#CC(=O)N[C@H]1C[C@@H](CNC(=O)[C@H]2CCNC2=O)C1 1757325954 ZNIPJRSAEZOLFE-XQQFMLRXSA-N 305.378 -0.207 30 20 DBED CN(C)C(=O)NCCN(C)C(=O)NCCn1cnc(C#N)n1 1771705262 KFYJKGNBVPZBJX-UHFFFAOYSA-N 308.346 -0.938 30 20 DBED N#CCC(=O)N1CCO[C@]2(CCN(C(=O)c3cc(O)no3)C2)C1 1779676657 XGASADOVZCUUFQ-CQSZACIVSA-N 320.305 -0.263 30 20 DBED CNC(=O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC#N 1795416761 NEQMKMZRSOJAMA-QHBPRCKVSA-N 322.365 -0.984 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NC(C)=O)C2 1800450805 NZZUFTQJZCARMV-DABQJJPHSA-N 321.377 -0.876 30 20 DBED C#CCCCC(=O)N1CCOC[C@]2(CN(C(=O)CN)CCO2)C1 1835555226 MHOKIBAHFJNJCC-MRXNPFEDSA-N 323.393 -0.795 30 20 DBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)CC3CC3)C2)C1 1839806889 MRERCPVXIZXRIK-MRXNPFEDSA-N 306.362 -0.124 30 20 DBED CCn1cc(C#N)c(=O)n(CC(=O)N[C@](C)(C#N)C(C)C)c1=O 10851787 QYIKFEXLXONWCY-OAHLLOKOSA-N 317.349 -0.044 30 20 DBED CNC(=O)CN(C)C(=O)C(=O)Nc1cc(C#N)ccc1OC 50175262 OIDCLENIDRCTKG-UHFFFAOYSA-N 304.306 -0.290 30 20 DBED C=CCNC(=O)c1cccc(S(=O)(=O)N(C)CC(N)=O)c1 55240416 XCLOXOHMRCSNBK-UHFFFAOYSA-N 311.363 -0.292 30 20 DBED CCOC(=O)c1cn[nH]c1S(=O)(=O)N1CCO[C@@H](C#N)C1 113199274 SDUZSWXDMLKKQP-QMMMGPOBSA-N 314.323 -0.501 30 20 DBED CCN(CCC#N)C(=O)CN1CCN(S(=O)(=O)CC)CC1 128845897 HFTAQEIDQVOLBW-UHFFFAOYSA-N 316.427 -0.284 30 20 DBED CC#CCN1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 159054934 JBFZBHXFDFKIIK-ZIAGYGMSSA-N 315.439 -0.019 30 20 DBED C#CCN1CCN(C(=O)c2ccc(CS(N)(=O)=O)cc2)CC1 172571768 HINIMURXQCJNDS-UHFFFAOYSA-N 321.402 -0.134 30 20 DBED N#Cc1ccc(OCCN2CCN3C(=O)C(=O)NC[C@H]3C2)cc1 177115550 HPRXRHSGHLOFJO-ZDUSSCGKSA-N 314.345 -0.420 30 20 DBED CS(=O)(=O)NCCCNS(=O)(=O)c1cccc(C#N)c1 220660470 YRWDYGZFIGWZKL-UHFFFAOYSA-N 317.392 -0.224 30 20 DBED CC(C)N1C(=O)C[C@H](NS(=O)(=O)c2ccc(C#N)nc2)C1=O 267633490 OMBKRYGUYHYPRV-NSHDSACASA-N 322.346 -0.233 30 20 DBED C=CCn1c(S[C@@H](C)C(=O)NCC(=O)OC)n[nH]c1=O 268308989 JEHPVBYVMSGPNB-ZETCQYMHSA-N 300.340 -0.473 30 20 DBED C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCN(S(N)(=O)=O)CC1 278642313 LNKDIKQSEUSNJW-GHMZBOCLSA-N 303.384 -0.685 30 20 DBED N#Cc1cncc(S(=O)(=O)NC[C@H](CC(=O)O)C(=O)O)c1 290702083 SIASYGFDOAZHMA-QMMMGPOBSA-N 313.291 -0.593 30 20 DBED C[C@@H]1OCC[C@]12CN(/C(O)=N/CCn1cnc(C#N)n1)CCO2 329362825 IZEFECGXIXUFNC-FZMZJTMJSA-N 320.353 -0.056 30 20 DBED CCN1CCN(C/C(O)=N/[C@@H](C)c2ncnn2C)C(=O)C1=O 330022334 ZJDQLMMUUHUVBQ-VIFPVBQESA-N 308.342 -0.477 30 20 DBED CC/N=C(/O)NC(=O)[C@H](C)N1CCN(CCOC)C(=O)C1 330588074 MNBXXQNSHXNQTH-JTQLQIEISA-N 300.359 -0.784 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N1CCS(=O)(=O)CC[C@H]1C 332059858 YJGMDABRAPMVLO-GHMZBOCLSA-N 323.440 -0.026 30 20 DBED C=CC[C@H](C)NC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 346195800 QYDAVKYSVIVUQM-QMMMGPOBSA-N 314.367 -0.527 30 20 DBED CCS(=O)(=O)NCCNS(=O)(=O)CC1(CC#N)CC1 346447105 APEZXCDRIUQOLG-UHFFFAOYSA-N 309.413 -0.461 30 20 DBED C=CCOCC(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 347018755 YQXQFJHBIPYXMY-GFCCVEGCSA-N 320.411 -0.206 30 20 DBED C[C@H]1CN(S(=O)(=O)c2cccc(C#N)c2)C[C@H](C(N)=O)O1 347838206 UUXPFCRWJFIYBD-JOYOIKCWSA-N 309.347 -0.178 30 20 DBED C=CCOC[C@@H]1NC(=O)N(CC2(S(C)(=O)=O)CC2)C1=O 348743936 QZBMXSIIDNJNDW-VIFPVBQESA-N 302.352 -0.313 30 20 DBED COC[C@](C)(C#N)NC(=O)CSCC(=O)N1CCOCC1 353436806 JJBWNGQFWVOVTC-ZDUSSCGKSA-N 315.395 -0.377 30 20 DBED Cc1nn2c(S[C@H](C)C(=O)N(C)CCC#N)n[nH]c2nc1=O 359317583 JTWQYHFJVPRKLY-MRVPVSSYSA-N 321.366 -0.026 30 20 DBED N#CCCn1ccc(NC(=O)C(=O)NCCN2CC=CCC2)n1 362194580 CAAQUJGEWZVTSG-UHFFFAOYSA-N 316.365 0.113 30 20 DBED N#CCCN=c1nc(N2CCOCC2)[nH]c(=NCCC#N)[nH]1 362682592 DXQUVGATGJRLNR-UHFFFAOYSA-N 302.342 -0.797 30 20 DBED CNS(=O)(=O)[C@H]1CCCN(S(=O)(=O)CCCC#N)C1 365280305 QZGPAGCICGFTEX-JTQLQIEISA-N 309.413 -0.366 30 20 DBED CNS(=O)(=O)CC(=O)N1CCC[C@]2(CCCCO2)[C@@H]1C#N 373377352 NGTCDEBDOTWTEM-WCQYABFASA-N 315.395 -0.011 30 20 DBED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CC[C@H]2O)cc1 491731808 KYNGJQDCHXEXCE-CHWSQXEVSA-N 308.359 -0.149 30 20 DBED Cn1c(N[C@H]2C[C@H]3CCCCN3C2=O)c(C#N)c(=O)n(C)c1=O 519528031 XPYNEAWCKPUYCY-KOLCDFICSA-N 317.349 -0.479 30 20 DBED N#Cc1cccc(S(=O)(=O)NCC(=O)NCCN2CCC2)c1 564692196 ZJNCNXWNYWFBSN-UHFFFAOYSA-N 322.390 -0.342 30 20 DBED COC(=O)[C@H](CC(C)C)NC(=O)CNc1cc(C#N)ncn1 567550645 ZVCKOHSEJJYTDQ-NSHDSACASA-N 305.338 0.464 30 20 DBED CCc1nc(C#N)cc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1 596151575 DHZFIJUEWLSWOB-JTQLQIEISA-N 300.322 -0.942 30 20 DBED CN(C)c1cncc(NC(=O)C(=O)N2CCO[C@H](C#N)C2)c1 602022358 FHBDSJYDQKIENI-GFCCVEGCSA-N 303.322 -0.163 30 20 DBED CN(C)CCN1C[C@@H](C(=O)N2CCN(CCC#N)CC2)CC1=O 602209372 XTLOBIWEASGTHN-AWEZNQCLSA-N 321.425 -0.546 30 20 DBED CC#CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(C(N)=O)cc1F 646951813 OFWIZKXREZRPGO-JTQLQIEISA-N 321.308 -0.246 30 20 DBED C[C@H](NS(C)(=O)=O)C(=O)O[C@@H](C)C(=O)N(C)CCC#N 758489930 VCOITCFKTKDUBH-IUCAKERBSA-N 305.356 -0.772 30 20 DBED CC(C)(C)C(=O)NCC(=O)NS(=O)(=O)CC1(C#N)CC1 793197938 UJWKKRJIPFXDDJ-UHFFFAOYSA-N 301.368 -0.102 30 20 DBED CC#CCS(=O)(=O)NC(=O)Cn1c(C)c(C)sc1=O 810774957 UWKGWLHLFNVMLO-UHFFFAOYSA-N 302.377 -0.004 30 20 DBED C#CC[C@H](CO)NC(=O)CCNS(=O)(=O)c1ccccc1 816669964 IHUCAYKXIHWIHF-GFCCVEGCSA-N 310.375 -0.145 30 20 DBED C=CCS(=O)(=O)CCNC(=O)c1ccc(-c2nn[nH]n2)nc1 823932309 UFJVYGNCEQTMSQ-UHFFFAOYSA-N 322.350 -0.408 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)C[C@@H](C)OC)CC1 831560693 DVARMAUXIJPWAZ-LLVKDONJSA-N 303.384 -0.977 30 20 DBED C[C@@]1(C(=O)O)CCN(C(=O)C(=O)Nc2cnn(CC#N)c2)C1 833552881 BJPHSEBFZCBBIG-CYBMUJFWSA-N 305.294 -0.332 30 20 DBED C#CCCCS(=O)(=O)N1CCN(C)C[C@H](C(=O)OC)C1 841555695 NYSGHTRCFQVEBT-LBPRGKRZSA-N 302.396 -0.234 30 20 DBED N#Cc1ccc([C@H](O)CNC[C@@H](O)CN2CCOCC2)cc1 843060947 SUTLGOTUWWTYIO-HZPDHXFCSA-N 305.378 -0.126 30 20 DBED O=C1COc2ncc(C(=O)N[C@@H]3CCCN(O)C3=O)cc2N1 848134999 HVUMUYDYLHSCQC-MRVPVSSYSA-N 306.278 -0.478 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@H]1CCCS1(=O)=O 848857815 CNKDADPZHZUWCO-DTWKUNHWSA-N 318.351 -0.493 30 20 DBED C#C[C@H](NC(=O)NCCNS(=O)(=O)N(C)C)C(C)(C)C 854108687 GHBHBCFFIBDIGG-JTQLQIEISA-N 304.416 -0.271 30 20 DBED C[C@@H](NC(=O)C(=O)N1CCN(CCC#N)CC1)[C@@H]1CCCNC1 884684010 UXZLFSKZUHEWPA-ZIAGYGMSSA-N 321.425 -0.451 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)NCC(=C)CC)CC1 895255292 RCWDCAXZFWZTFY-UHFFFAOYSA-N 314.411 -0.253 30 20 DBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C1CN(S(C)(=O)=O)C1 907947544 HRMJSBJDBFVFSI-JQWIXIFHSA-N 302.396 -0.025 30 20 DBED CCS(=O)(=O)N1CCC(C(=O)NCC#CCN(C)C)CC1 913515676 IDWNOFROLBERCA-UHFFFAOYSA-N 315.439 -0.271 30 20 DBED C[C@H](NS(=O)(=O)N(C)CCC#N)[C@H]1CN(C)CCN1C 920022444 VPYRCSXJGNUORK-NWDGAFQWSA-N 303.432 -0.699 30 20 DBED CC[C@@H]1C(=O)NCCCN1S(=O)(=O)N(C)C[C@H](C)C#N 922015578 RSSIWENBSRAOSH-GHMZBOCLSA-N 302.400 -0.077 30 20 DBED C#CCN1CCC[C@@H](NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 923571255 AYZQGXUQCGGUTP-QWHCGFSZSA-N 315.377 -0.024 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)c3cnnn3C)C2)nc1 937892623 CPBREWYNUVIJOP-LBPRGKRZSA-N 324.344 -0.164 30 20 DBED CO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1NC(=O)c1cnnc(O)c1 942164654 SCBAQEZQNOVGHJ-JMJZKYOTSA-N 319.321 -0.703 30 20 DBED Cn1ncc(C(=O)N[C@@H]2[C@H]3C[C@H]2N(C(=O)C#CC2CC2)C3)c1N 946969570 VALPAOLUWYUZOL-ZKYQVNSYSA-N 313.361 -0.255 30 20 DBED C#CCN1CC[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C[C@@H]1C 947369234 IOMLSSHKDMTMER-STQMWFEESA-N 318.377 -0.851 30 20 DBED Cn1nncc1C(=O)NC[C@H]1CCN1C(=O)c1ccc(C#N)[nH]1 949673138 RLLXUHFXAPTRFV-SNVBAGLBSA-N 313.321 -0.341 30 20 DBED CN1CCOC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)C#CC2CC2)C1 950759604 UDTPISISONUHPM-CABCVRRESA-N 319.405 -0.162 30 20 DBED CN(C(=O)[C@H]1COC(=O)N1)C1CN(C(=O)c2c[nH]c(C#N)c2)C1 954189140 IHVKXYAUOYWUDU-LLVKDONJSA-N 317.305 -0.722 30 20 DBED C[C@@H](C#N)C(=O)N1CC(N(C)C(=O)[C@H]2CCCS2(=O)=O)C1 954422456 RSCXWJVFVROGIN-GXSJLCMTSA-N 313.379 -0.608 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)C(N)=O)C[C@H]2C)nc1 955757754 CNNAAADYNUBOGO-PWSUYJOCSA-N 314.345 -0.343 30 20 DBED N#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cncc3nc[nH]c23)C1 958081476 ORESNWDVYHGRGI-JOYOIKCWSA-N 300.322 -0.496 30 20 DBED C#CCCN1C[C@@H](O)[C@@H](CNC(=O)c2cn(C)c(C)cc2=O)C1 958152316 ODQBNDXXNFENOX-XJKSGUPXSA-N 317.389 -0.260 30 20 DBED CC#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cnc3cccnn23)C1 958453978 RTSFLQQXSHHYTG-GXTWGEPZSA-N 313.361 -0.225 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C(C)C)C1 958633803 ZHOIWSCLUKSKLV-KKUMJFAQSA-N 321.421 -0.230 30 20 DBED CC#CCN1C[C@H]2C(NC(=O)C[C@H]3CCS(=O)(=O)C3)[C@@H]2C1 960894789 UTTZDGXKVXWHRO-JHJVBQTASA-N 310.419 -0.119 30 20 DBED C#CCN1C[C@H]2C(NC(=O)c3cncc(-n4ccnn4)c3)[C@@H]2C1 961379309 DWVPTHFHCJEZSA-ZIAGYGMSSA-N 308.345 -0.045 30 20 DBED C=CCN1C[C@@H]2C(NC(=O)c3nc(C)n(-c4nc[nH]n4)n3)[C@H]2C1 961415993 ADKSUQLBRHYINK-UWVGGRQHSA-N 314.353 -0.460 30 20 DBED C#CCN1C[C@H]2[C@H](NC(=O)c3c(C)c(C)nn(C)c3=O)[C@H]2C1 961429386 RZKVZEOITNDEDC-IMRBUKKESA-N 300.362 -0.310 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CN(C(=O)[C@@H]3COCCO3)CCO2)C1 965309531 BJJJNVVFVIBWJB-NEPJUHHUSA-N 323.349 -0.999 30 20 DBED C[C@H](C#N)C(=O)N1CCOC2(CN(C(=O)c3cn(C)nn3)C2)C1 965470477 HINVNLZKJXNXSK-SNVBAGLBSA-N 318.337 -0.972 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(C[C@H](NC(=O)c3n[nH]cc3F)CO2)C1 965801254 MRMUFDDGRQWLTN-IUCAKERBSA-N 321.312 -0.192 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CCCC1=O 968457676 QVRIEZPTYKCDBK-RWMBFGLXSA-N 318.377 -0.030 30 20 DBED CC#CCN1CC[C@H](C)[C@H](NC(=O)CN2C(=O)CN(C)C2=O)C1 968628398 XYHXVFCGWPACHV-QWHCGFSZSA-N 320.393 -0.270 30 20 DBED C=CCN(C)[C@@H]1CCN(C(=O)c2c[nH]nc2S(N)(=O)=O)C1 972298272 XLZJFQDAZDABSK-SECBINFHSA-N 313.383 -0.611 30 20 DBED CC#CCN1CCO[C@@]2(CCN(C(=O)Cc3n[nH]c(C)n3)C2)C1 972381349 MICYOAQMVRASDJ-INIZCTEOSA-N 317.393 -0.018 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)[C@@]3(C)CNC(=O)C3)C2)C1 972481057 XKNWBGYHKSRKPA-CVEARBPZSA-N 305.378 -0.551 30 20 DBED COCCN1C[C@@H](C(=O)N[C@@H]2CN(CC#N)CC2(C)C)CC1=O 974642928 MWPFCLAIZSSSSW-QWHCGFSZSA-N 322.409 -0.169 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H](N(C)C(=O)Cn2nccn2)C1 984599433 UMCSXQYJXKCJHY-VXGBXAGGSA-N 304.354 -0.113 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](CN(C)C(=O)c2cnnn2C)C1 988288342 SXJKQJVOFOZPEX-QWRGUYRKSA-N 304.354 -0.105 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)Cc3n[nH]c(C)n3)C2)nc1 997087857 MNMHMZQKCWEQMN-UHFFFAOYSA-N 324.344 -0.327 30 20 DBED C[C@@H](NC(=O)c1cnc(O)n(C)c1=O)C1CCN(CC#N)CC1 997256362 VXIUDQLIYOTXOF-SNVBAGLBSA-N 319.365 -0.160 30 20 DBED Cn1nccc1C(=O)NCc1cn([C@@H]2CCN(CC#N)C2)nn1 999972611 UVGSXGDGZFKEBT-GFCCVEGCSA-N 314.353 -0.288 30 20 DBED CN1CC[C@H](C(=O)NCc2cn([C@@H]3CCN(CC#N)C3)nn2)C1 1000046452 UEVKYBUOOTXEOX-GXTWGEPZSA-N 317.397 -0.384 30 20 DBED C[C@H](NC(=O)[C@@H]1CC(=O)N(C)C1)C1CN(C(=O)C#CC2CC2)C1 1006236396 YYBOMAVVPMWJDQ-WCQYABFASA-N 317.389 -0.159 30 20 DBED O=C1CC[C@@H](C(=O)N2CCN(C(=O)C#CC3CC3)CC2)CCN1 1011111316 JSIQOJOGZYZHJL-CQSZACIVSA-N 317.389 -0.013 30 20 DBED C[C@@H](C#N)C(=O)N1CC=C(CNC(=O)c2cnnn2C)CC1 1017416474 AFCFJHFNKHSDHG-JTQLQIEISA-N 302.338 -0.137 30 20 DBED Cn1cnc(C(=O)N2CCC3(CN(C(=O)C#CC4CC4)C3)C2)n1 1019010388 PQAMTOYSYJANEF-UHFFFAOYSA-N 313.361 -0.097 30 20 DBED C=CC(C)(C)C(=O)N1CCC2(CN(C(=O)Cn3ncnn3)C2)C1 1019049349 GEQWUQAYCICOLD-UHFFFAOYSA-N 318.381 -0.054 30 20 DBED C#CCN1CCCC[C@H]1CNC(=O)[C@@H]1CN(C(C)=O)CCO1 1024785781 PKKIEMDKMHYHPQ-GJZGRUSLSA-N 307.394 -0.162 30 20 DBED CC#CCN1CC[C@H](CNC(=O)[C@@H]2COCCN2C(C)=O)C1 1028994417 SBECNTYDNRMBLN-CABCVRRESA-N 307.394 -0.305 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CN(C)Cc2nc(=O)n(C)[nH]2)CC1 1029946736 VAMUVDSFNKWNAY-NSHDSACASA-N 320.397 -0.062 30 20 DBED C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)Cn1ccc(=O)n(C)c1=O 1032434014 XQILVQAPMMMQKQ-STQMWFEESA-N 318.377 -0.592 30 20 DBED C#CCN1CCCC[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)C1 1034492324 MSTLQQUUOQCUSQ-GFCCVEGCSA-N 306.366 -0.516 30 20 DBED Cn1nnnc1CNC[C@H]1CCCN1C(=O)c1c[nH]c(C#N)c1 1034911899 NAMFTZBGGRXWSF-GFCCVEGCSA-N 314.353 -0.196 30 20 DBED CC#CCN1CCO[C@H](CNC(=O)[C@H]2CCNC(=O)CC2)C1 1035459008 HFQRDTYAUYGIPI-ZIAGYGMSSA-N 307.394 -0.257 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@H]3[C@@H](CCN3CC(N)=O)C2)c1 1036679063 ARWPSIPKAIYXJO-AAEUAGOBSA-N 301.350 -0.092 30 20 DBED C=CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)Cn1nc2n(c1=O)CCCC2 1037662135 AVXWFIIRDOPCJE-TYNCELHUSA-N 317.393 -0.244 30 20 DBED CC#CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)CN1CC(=O)N(C)C1=O 1037675076 NYTZHJKWCBCUBI-UHIISALHSA-N 304.350 -0.907 30 20 DBED C=CCN1CC[C@@H](N2CC[C@@H]2CNC(=O)c2cn(C)nn2)C1=O 1038225263 FJZIHRFUQQFOKQ-DGCLKSJQSA-N 318.381 -0.594 30 20 DBED C=CCN1CC[C@@H](N2CC[C@@H]2CNC(=O)c2cnn[nH]2)C1=O 1038446677 CCKTWFGPBHBPAG-ZYHUDNBSSA-N 304.354 -0.604 30 20 DBED C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1NC(=O)NC1=O 1039387972 SVXCMUJMQPWVRU-WOPDTQHZSA-N 306.366 -0.164 30 20 DBED C=C(C)CCC(=O)NC[C@]1(O)CCN(C(=O)c2cnnn2C)C1 1039986487 CCVLSYZKGBDLDE-OAHLLOKOSA-N 321.381 -0.135 30 20 DBED C#Cc1ccc(C(=O)N2CC(O)(CNC(=O)CCOC)C2)nc1 1041050941 OAVBWPMSTKLQDK-UHFFFAOYSA-N 317.345 -0.598 30 20 DBED C=CCCCC(=O)N1CC(O)(CNC(=O)CN(C)C(C)=O)C1 1041575724 FEZZDZSHZCXQTK-UHFFFAOYSA-N 311.382 -0.490 30 20 DBED N#Cc1c[nH]c(C(=O)NCC2(O)CN(C(=O)[C@H]3CCCO3)C2)c1 1042401131 KJTBQLZRMOSHIM-GFCCVEGCSA-N 318.333 -0.632 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)C[C@@H]2CCC(=O)N2)C1 1042938152 QBKKPTGPVBORMZ-LBPRGKRZSA-N 321.377 -0.996 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)CN2CCC[C@H]2C)C1 1042939860 HOTVXFDMQVKAQP-CQSZACIVSA-N 321.421 -0.180 30 20 DBED O=C(C#CC1CC1)NCC1(O)CN(C(=O)CC2(O)CCC2)C1 1042958226 HITXWUDIVXLSOF-UHFFFAOYSA-N 306.362 -0.606 30 20 DBED C#CCCN1CC(N(C)C(=O)Cn2nc3ccccn3c2=O)C1 1043500702 CRHQWNLTEJNAKE-UHFFFAOYSA-N 313.361 -0.338 30 20 DBED C=CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2cn[nH]c2)C1 1043568559 ANKPNISUXUVMSU-JTQLQIEISA-N 308.338 -0.696 30 20 DBED N#Cc1ccc(N2C[C@H]3[C@@H](C2)OCCN3C(=O)CC(N)=O)cn1 1043685458 QDQFUKUZLSWQPT-QWHCGFSZSA-N 315.333 -0.755 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)c2ccc(F)cn2)C1 1045540191 DVWCCOGMIPNSHT-VIFPVBQESA-N 306.297 -0.317 30 20 DBED COc1cccc(C(=O)N2CC(O)(CNC(=O)[C@H](C)C#N)C2)n1 1045546011 GLHKFESNLNCNEZ-SNVBAGLBSA-N 318.333 -0.447 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)C2(F)CCOCC2)C1 1045565523 ZFGRMLIPMKMQSI-SNVBAGLBSA-N 313.329 -0.646 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)c2ccc(O)nc2)C1 1046488751 VOELLDKGDFBUST-SECBINFHSA-N 304.306 -0.750 30 20 DBED C=C(C)CN1CC[C@@](C)(NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 1046666931 NQOQDIIIXADOOH-MRXNPFEDSA-N 320.393 -0.146 30 20 DBED C#CCCN1C[C@H]2C[C@@H](NC(=O)CN3CC(=O)NC3=O)C[C@H]1C2 1047162415 JZTPMOCWFSWUQX-YNEHKIRRSA-N 318.377 -0.469 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3cncn3C2)C1 1047436333 XQLFJIHBLNHCGD-QEJZJMRPSA-N 302.378 -0.418 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1047468880 ZEYSJQHNGLNSDZ-YYFQZIEXSA-N 308.378 -0.825 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2ccco2)C1 1048049759 FATPHWWHHQGCLB-AGIUHOORSA-N 320.345 -0.038 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)COCC)C1 1048147590 QFYCSXAZKROQOO-AVGNSLFASA-N 312.366 -0.909 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CC(C)(C)O)C1 1048769942 WOWSRKCLFBFXSQ-STQMWFEESA-N 310.394 -0.019 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CC2(O)CCC2)C1 1048816765 IZJYJCXOOCMDNK-SRVKXCTJSA-N 309.366 -0.519 30 20 DBED C=CC(C)(C)C(=O)N(C)[C@H]1CN(C(=O)c2cn(C)nn2)C[C@@H]1O 1049171317 BVSCUWRCUHCZNX-RYUDHWBXSA-N 321.381 -0.329 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)c2cnns2)C[C@@H]1O 1049388480 LFKBONFBGSDULY-CIUDSAMLSA-N 309.351 -0.659 30 20 DBED CC#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC(=O)NC(=O)N1 1049751204 CLPBHIDKJCJWMV-AVGNSLFASA-N 318.377 -0.327 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)c1cc(CN(C)C)on1 1050995520 FRUDLNMYCAJYIW-GFCCVEGCSA-N 306.366 -0.200 30 20 DBED N#CCN1CCOC[C@H]1CNC(=O)[C@H]1CCc2c[nH]nc2C1 1051251979 AAISAIGPJJHRSO-WCQYABFASA-N 303.366 -0.145 30 20 DBED COc1nccc(CNC[C@@H]2CN(C(=O)[C@@H](C)C#N)CCO2)n1 1051496006 ZRALBWTVNGTFOP-WCQYABFASA-N 319.365 -0.038 30 20 DBED C#CCCN1CCN([C@@H]2CCN(C(=O)c3cnn[nH]3)C2)CC1 1052048250 PANCJHJEMYHMDL-CYBMUJFWSA-N 302.382 -0.340 30 20 DBED C#CCN1CCN([C@H]2CCN(C(=O)Cc3ncc[nH]3)C2)CC1 1052101723 SPBVVFWVXFLSQQ-AWEZNQCLSA-N 301.394 -0.196 30 20 DBED CCn1ncc(C(=O)NC[C@H]2CCC3(CN(CC#N)C3)O2)n1 1053595933 GZOYPPRIMWVZKA-LLVKDONJSA-N 304.354 -0.215 30 20 DBED C=CCCN1CC2(C[C@@H](NC(=O)Cn3cnnc3O)CO2)C1 1053782444 PYKGYGPRROJHLA-LLVKDONJSA-N 307.354 -0.481 30 20 DBED CCC(=O)N1CC[C@H](C(=O)N[C@@H]2COC3(C2)CN(CC#N)C3)C1 1053976060 BVCQMOGXJIGPJG-STQMWFEESA-N 320.393 -0.272 30 20 DBED N#Cc1nccnc1N1CCN(C(=O)CCn2cncn2)CC1 1055729412 BFKULSOKRPTBPN-UHFFFAOYSA-N 312.337 -0.321 30 20 DBED C=CCCC(=O)N[C@]1(CO)CCCN(C(=O)[C@H]2CNC(=O)N2)C1 1055824443 UKQABQYZLXUDFO-IAQYHMDHSA-N 324.381 -0.896 30 20 DBED Cc1nonc1CC(=O)N1CCN(c2ccnc(C#N)n2)CC1 1055890777 CTSMTCJWRVDGJF-UHFFFAOYSA-N 313.321 -0.069 30 20 DBED C#CCOCCC(=O)N[C@]1(CO)CCCN(C(=O)C2CC2)C1 1055945500 KMMLMMCDQBTTEV-MRXNPFEDSA-N 308.378 -0.094 30 20 DBED N#Cc1cncc(N2C[C@H]3[C@H](NC(=O)Cc4nc[nH]n4)[C@H]3C2)n1 1056299041 YZJRLJCVCBAXRC-MSRIBSCDSA-N 310.321 -0.740 30 20 DBED N#Cc1ccc(N[C@@H]2CCN(C(=O)[C@H]3CCC(=O)N3)C2)nn1 1056590789 JLUDSQGERHTAFQ-GHMZBOCLSA-N 300.322 -0.360 30 20 DBED N#Cc1nc(=N[C@@H]2CCN(C(=O)c3nccnc3N)C2)cc[nH]1 1056593610 JNWHZMPRPZFJMB-SECBINFHSA-N 310.321 -0.531 30 20 DBED CN(c1ccncc1C#N)[C@H]1CCN(C(=O)c2nnn(C)n2)C1 1057002384 LSWZUEMMKSWCPV-NSHDSACASA-N 312.337 -0.172 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)C[C@H](C)OC 1057161190 MVXOCFQGDFEOMW-LBPRGKRZSA-N 302.371 -0.449 30 20 DBED C=C[C@@](C)(O)CC(=O)N(CCO)CCNC(=O)C(C)(F)F 1057449946 KRDAIZGGJLMXPZ-GFCCVEGCSA-N 308.325 -0.094 30 20 DBED C=CCC(C)(C)C(=O)N(CCO)CCNC(=O)c1nnn(C)n1 1057601609 PNYNDSVCBBJNRK-UHFFFAOYSA-N 324.385 -0.637 30 20 DBED CC(C)(C(N)=O)C(=O)N1CCC[C@@H](N=c2cc[nH]c(C#N)n2)C1 1057710064 SBZSRFBHCUERJV-SNVBAGLBSA-N 316.365 -0.315 30 20 DBED Cn1nncc1C(=O)NC1CCN(c2cnc(C#N)cn2)CC1 1057864753 HBUODWYDBUNGET-UHFFFAOYSA-N 312.337 -0.124 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)[C@H]1CO[C@@H](C)C1 1057948491 HUMBGZBCNSFKGP-QWHCGFSZSA-N 314.382 -0.449 30 20 DBED C#CCOCCC(=O)NCCN(CCO)C(=O)c1[nH]cnc1C 1058064894 QNCXBNZXZVRFSA-UHFFFAOYSA-N 322.365 -0.691 30 20 DBED C#CCOCCC(=O)NCCN(CCO)C(=O)c1cnco1 1058196100 DZJRRJWXASMALQ-UHFFFAOYSA-N 309.322 -0.735 30 20 DBED N#Cc1ccc(N2CC[C@@H](NC(=O)C[C@@H]3CCC(=O)N3)C2)nn1 1058396888 XDIBJCBTFFGNOC-CMPLNLGQSA-N 314.349 -0.288 30 20 DBED COCCCOCC(=O)N(CCO)CCNC(=O)[C@H](C)C#N 1058827952 BEGTVRRZSXABOF-GFCCVEGCSA-N 315.370 -0.864 30 20 DBED N#Cc1nccnc1N[C@H]1CCN(C(=O)C[C@H]2CCNC2=O)C1 1058982809 GXKJQFHOJLMFLS-MNOVXSKESA-N 314.349 -0.113 30 20 DBED N#Cc1cncc(N[C@H]2C[C@H](NC(=O)[C@H]3CCC(=O)N3)C2)n1 1059170905 XTQZHLCPLNVCLB-FXPVBKGRSA-N 300.322 -0.314 30 20 DBED CN1C[C@H](C(=O)N[C@H]2C[C@@H](Nc3cnc(C#N)cn3)C2)NC1=O 1059781657 HFUPFJVVESILHV-WCABBAIRSA-N 315.337 -0.569 30 20 DBED Cn1nnc(C(=O)NC[C@H]2CCN(c3ncccc3C#N)C2)n1 1061706037 NDVDSWVHGASFKI-SNVBAGLBSA-N 312.337 -0.267 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)C1CCOCC1 1061848704 UEWQEJLYHBMAQQ-YPMHNXCESA-N 309.366 -0.084 30 20 DBED N#Cc1nccc(N2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2COC(=O)N2)n1 1062481664 VGYHRTPSJIJHOY-GUBZILKMSA-N 314.305 -0.754 30 20 DBED O=C(C#CC1CC1)NCC1(NC(=O)CN2CCOCC2)CCC1 1062974364 YIWHKGMVTCOFHY-UHFFFAOYSA-N 319.405 -0.113 30 20 DBED CN(C(=O)[C@H]1CNC(=O)N1)[C@H]1CCN(c2cnc(C#N)cn2)C1 1063024422 BXIHSOXKZJRTLV-WDEREUQCSA-N 315.337 -0.933 30 20 DBED N#Cc1nccnc1N1CCO[C@H](CNC(=O)[C@@H]2CCCO2)C1 1063605331 HMOSKXPWRUJJSJ-YPMHNXCESA-N 317.349 -0.151 30 20 DBED C=CCOCC(=O)NC1(CNC(=O)[C@@H]2CC[C@H]2C(N)=O)CCC1 1063901689 NZFRHFQXKCTGSF-VXGBXAGGSA-N 323.393 -0.144 30 20 DBED CCn1ncc(C(=O)N[C@@H]2[C@H]3C[C@H]2N(c2cncc(C#N)n2)C3)n1 1064246476 QCMYRYONQVTSMC-MRCXROJRSA-N 324.348 -0.033 30 20 DBED N#Cc1nccnc1N1C[C@H]2C[C@H]1[C@H]2NC(=O)c1c[nH]c(=O)cn1 1064334348 QGKQGKLMCPHLOF-WLTAIBSBSA-N 323.316 -0.561 30 20 DBED Cc1nonc1C(=O)NC[C@H]1CN(C(=O)C#CC(C)C)CCO1 1065126406 PJIJWPUPRVHJQW-LBPRGKRZSA-N 320.349 -0.005 30 20 DBED Cc1cncn1CC(=O)NC[C@@H]1CN(C(=O)[C@H](C)C#N)CCO1 1065560166 JDBYTYNCUDJCTL-DGCLKSJQSA-N 319.365 -0.305 30 20 DBED C=C[C@@](C)(O)CC(=O)N(C)CCCN(C)C(=O)CNC(N)=O 1066768996 LTEJQFIXVJDLKR-CQSZACIVSA-N 314.386 -0.711 30 20 DBED N#Cc1nccnc1N1C[C@@H](O)[C@H](CNC(=O)c2cc[nH]c2)C1 1067695498 LKIBCDSOUWMJFJ-DGCLKSJQSA-N 312.333 -0.097 30 20 DBED C=CCOCC(=O)N1CCOC2(C1)CN(C(=O)c1cnn[nH]1)C2 1068350924 GXFSGMXZKOQWDF-UHFFFAOYSA-N 321.337 -0.939 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC2(C1)CN(C(=O)[C@@H](C)CC(N)=O)C2 1068450818 YXLVKQPPDQZZTB-QWRGUYRKSA-N 322.365 -0.903 30 20 DBED C=CCCC(=O)N1CC2(C[C@H](NC(=O)[C@H](C)NC(N)=O)CO2)C1 1068826329 GHMUPEGJUAAYTR-QWRGUYRKSA-N 324.381 -0.505 30 20 DBED N#CCN1CCn2ncc(CNC(=O)[C@H]3CC[C@@H]3C(N)=O)c2C1 1069869689 YEULJPSOCSBVBL-RYUDHWBXSA-N 316.365 -0.650 30 20 DBED N#CCN1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CNC(=O)N2)C1 1070423129 QXNZEQBDXVBOIL-KOLCDFICSA-N 317.353 -0.980 30 20 DBED Cn1cnc([C@@H]2CN(C(=O)c3cnns3)C[C@H]2NCC#N)c1 1070472404 GMVMKANZQATUCC-GXSJLCMTSA-N 317.378 -0.007 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)[C@H]4COC(=O)N4)C[C@@]3(C1)O2 1070794128 YWPASSJBXDNPTM-RTWAVKEYSA-N 305.334 -0.970 30 20 DBED C=CCOCC(=O)N[C@H]1CN(C(=O)CNC(=O)NC)C[C@H]1C 1072268534 OSJHGQFTBPZAND-MNOVXSKESA-N 312.370 -0.919 30 20 DBED C=CCOCC(=O)N[C@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@@H]1C 1072301219 ZPGXQUBCBMATCG-QWRGUYRKSA-N 311.382 -0.336 30 20 DBED C#CCN1CCC2(C1)CN(C(=O)c1nc(O)nc(O)c1OC)C2 1073124493 PPHQFSSYPGFLSG-UHFFFAOYSA-N 318.333 -0.323 30 20 DBED C=CCOCC(=O)N1CC(N2CCN(C(=O)[C@H](C)C#N)CC2)C1 1073597104 QIECJNADFJMCDH-CYBMUJFWSA-N 320.393 -0.296 30 20 DBED CN1CC[C@H](C(=O)NC[C@@H]2CN(CC#N)CCCO2)CC1=O 1073665040 SMVCWCKACRYSAG-QWHCGFSZSA-N 308.382 -0.415 30 20 DBED CC(C)C#CC(=O)N[C@H]1CCN(C(=O)c2nnn(C)n2)C[C@@H]1C 1073938576 OKZAHRAXVQZIGW-RYUDHWBXSA-N 318.381 -0.164 30 20 DBED N#CCN1CCO[C@@H]2CCN(C(=O)c3cc4n(n3)CCO4)C[C@@H]21 1074266882 SQURPBNDXHOYHF-QWHCGFSZSA-N 317.349 -0.286 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)Cc3cn(CC)nn3)C[C@@H]21 1074302657 URJFWXRVCILPKV-LSDHHAIUSA-N 317.393 -0.225 30 20 DBED C=C(C)CN1CCO[C@H]2CCN(C(=O)c3nnn(C)n3)C[C@H]21 1074317578 SAKVHBPUBKJZPH-NEPJUHHUSA-N 306.370 -0.299 30 20 DBED COCCn1ncc(C(=O)N[C@@H]2CN(CC#N)C[C@H]2O)c1C 1076992054 BZZXIUHOYPCKFO-CHWSQXEVSA-N 307.354 -0.864 30 20 DBED CCc1nn(C)c(CC)c1CC(=O)N[C@@H]1CN(CC#N)C[C@H]1O 1077148606 WPEWTZXQYQJKMV-UKRRQHHQSA-N 319.409 -0.228 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)Cn2nc(C)c3cccnc32)C1 1077429497 VFBHLQAXZLZNEC-ZIAGYGMSSA-N 313.361 -0.466 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)C2(N3CCOCC3)CCC2)C1 1077912883 QCOGDWCXUPFTCZ-ZIAGYGMSSA-N 309.410 -0.411 30 20 DBED CCN(C(=O)CSCC#N)C1CN(C(=O)c2ncn(C)n2)C1 1079341586 GUTOKOPDZIJCCY-UHFFFAOYSA-N 322.394 -0.255 30 20 DBED C#CCCCC(=O)N1CC(N(CC)C(=O)CS(C)(=O)=O)C1 1079419515 OSHUUPWARQJHOK-UHFFFAOYSA-N 314.407 -0.106 30 20 DBED C#CCOCCC(=O)N(CC)C1CN(C(=O)[C@H]2COC(=O)N2)C1 1079772173 JUZCTYFUYNLLBI-GFCCVEGCSA-N 323.349 -0.806 30 20 DBED C=C(C)CCN1C[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)[C@H](C)C1 1079877301 XFJCRBYWCDTWHK-GRYCIOLGSA-N 308.382 -0.013 30 20 DBED C[C@@H](C#N)C(=O)NC1(CO)CCN(C(=O)c2ncn(C)n2)CC1 1080980427 TXVIVAMUWZKUIY-JTQLQIEISA-N 320.353 -0.942 30 20 DBED CCOCC(=O)NC[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1O 1081220515 IWECTGMYQWGOJV-WCQYABFASA-N 320.349 -0.528 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)Cc2ccco2)C[C@@H]1O 1081345185 ZOHAAEJVFLAQFA-JSGCOSHPSA-N 322.361 -0.040 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1081463854 SQBRHWRKLFDQFQ-HUUCEWRRSA-N 302.374 -0.005 30 20 DBED CC#CCN1C[C@@H](NC(=O)C2CCN(C(N)=O)CC2)[C@H](OC)C1 1082363147 PKJDYNBZIHIWJO-ZIAGYGMSSA-N 322.409 -0.384 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1ccc(C(N)=O)cn1 1083290139 KDTNLECLJHEBLS-QWHCGFSZSA-N 315.333 -0.771 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)c2cnc3c(c2)nnn3C)C1 1083649674 LKFBJPFOEJILCL-OLZOCXBDSA-N 316.365 -0.286 30 20 DBED CN(C)CCCC(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1O 1090522858 SXSMFCZURARTOI-CHWSQXEVSA-N 318.381 -0.644 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2cnc(O)cc2OC)[C@H](O)C1 1090582453 APCRFHJMKCBPAS-VXGBXAGGSA-N 305.334 -0.406 30 20 DBED C[C@@H]1CN(c2ccncc2C#N)C[C@H]1NC(=O)CS(C)(=O)=O 1090662910 OVZVSSOGGOQKKI-ZYHUDNBSSA-N 322.390 -0.061 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2cnn(C)c2OC)[C@@H](O)C1 1090759104 CUDAGPXYNCNRRX-STQMWFEESA-N 306.366 -0.383 30 20 DBED CC(C)(C(N)=O)C(=O)NC1[C@@H]2CN(c3cncc(C#N)n3)C[C@@H]12 1093316670 RCOQGILVOXYQKL-NXEZZACHSA-N 314.349 -0.589 30 20 DBED Cc1cnc2nc(C(=O)NCCN=c3cc[nH]c(C#N)n3)nn2c1 1093942473 ZBYVLBIOXAYBBI-UHFFFAOYSA-N 323.320 -0.642 30 20 DBED CCc1nc(C#N)cc(NCCNC(=O)[C@H]2CN(C)C(=O)N2)n1 1094060702 PAWBZMHJCNDZNI-SNVBAGLBSA-N 317.353 -0.538 30 20 DBED CC(=O)N[C@@H](C)C(=O)N1CCC[C@H](N=c2cc[nH]c(C#N)n2)C1 1095272725 GLDBTRJCQWHPFN-JQWIXIFHSA-N 316.365 -0.302 30 20 DBED CN(CCCNC(=O)C1CS(=O)(=O)C1)c1ncccc1C#N 1095649715 MNFIBZANTWXYSK-UHFFFAOYSA-N 322.390 -0.060 30 20 DBED N#Cc1nccnc1N1CC[C@H](NC(=O)CCn2cncn2)C1 1096315390 MUNHPHYUUJQKHF-NSHDSACASA-N 312.337 -0.275 30 20 DBED C[C@H](CNC(=O)C[C@@H]1CCC(=O)N1)Nc1nccnc1C#N 1097950460 PDGMSEOMCYBAKL-ZJUUUORDSA-N 302.338 -0.066 30 20 DBED C[C@@H](CNC(=O)[C@H]1CN(C)C[C@@H](C)O1)N=c1cc[nH]c(C#N)n1 1098362910 JWJSOJYURSJVNF-QJPTWQEYSA-N 318.381 -0.594 30 20 DBED N#CCN(CCO)C1CCN(C(=O)[C@@H]2CC[C@@H]2C(N)=O)CC1 1098447756 WFWOWTRKOVUNRO-QWHCGFSZSA-N 308.382 -0.693 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2cc(C)on2)[C@@H](O)C1 1099651051 OPRIQIUMJDKSIX-JSGCOSHPSA-N 307.350 -0.202 30 20 DBED Cn1nncc1CN1CC[C@H](NC(=O)C#CC2CC2)[C@H](O)C1 1099827234 UMDSZZMJXOLRDU-UONOGXRCSA-N 303.366 -0.720 30 20 DBED CNC(=O)CCCC(=O)NCCN(C)c1ccnc(C#N)n1 1100029754 CQJJJLKIOSZCHC-UHFFFAOYSA-N 304.354 -0.183 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)c2oncc2C)[C@H](O)C1 1100062114 OBJDMJSUGVVULS-NWDGAFQWSA-N 322.365 -0.550 30 20 DBED CCc1nc(C#N)cc(N(C)CCNC(=O)C(C)(C)C(N)=O)n1 1100186285 JVCCWSQQAWBLDQ-UHFFFAOYSA-N 318.381 -0.025 30 20 DBED CN(CCNC(=O)c1coc(C(N)=O)c1)c1nccnc1C#N 1100244605 WEFQICAFHQUCAH-UHFFFAOYSA-N 314.305 -0.094 30 20 DBED C#CCNC(=O)CC(=O)NCC1CC(NCc2nnc(C)o2)C1 1100261878 VDMNLAUAUBONEY-UHFFFAOYSA-N 319.365 -0.498 30 20 DBED N#CCNC(=O)CNC1CC(CNC(=O)c2csc(O)n2)C1 1100586378 WXYVHLVWDMRQTN-UHFFFAOYSA-N 323.378 -0.414 30 20 DBED CN(CCNc1ccc(C#N)nc1)C(=O)CCn1cnnn1 1101740177 XAWUSZHXZMETLF-UHFFFAOYSA-N 300.326 -0.100 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1CNC(=O)[C@@H]1CCCN1C 1101819446 IIANUYZQAMICMS-MCIONIFRSA-N 321.425 -0.596 30 20 DBED CN(CCNc1ccc(C#N)nn1)C(=O)[C@H]1CCN(C)C1=O 1101907695 MPZRAYVYVXMFRH-NSHDSACASA-N 302.338 -0.303 30 20 DBED CN(CCNc1nccnc1C#N)C(=O)[C@]1(C)CCC(=O)N1 1101933139 XOPIBEVQORTOSR-AWEZNQCLSA-N 302.338 -0.113 30 20 DBED C#CCN1C[C@@H](C)[C@H](CCNC(=O)CCS(=O)(=O)NC)C1 1102977087 LYXRUVDFBQQRBE-CHWSQXEVSA-N 315.439 -0.367 30 20 DBED CC[C@@H](CNC(=O)CN1CCOCC1)Nc1cnc(C#N)cn1 1103035200 YEUURAPSTPNOPH-LBPRGKRZSA-N 318.381 -0.013 30 20 DBED CC[C@H](CNC(=O)CCNC(N)=O)N=c1cc[nH]c(C#N)n1 1103092512 YINOQVGXPCUUNS-SECBINFHSA-N 305.342 -0.865 30 20 DBED CC[C@H](CNC(=O)Cn1nccn1)Nc1ccc(C#N)nn1 1103214410 QWBWYDLYXFZJOI-SNVBAGLBSA-N 300.326 -0.053 30 20 DBED C#CCNC(=O)CNCC[C@@H]1CN(C(=O)[C@H]2CCOC2)C[C@H]1C 1103965316 NMZDXMURWTWUJQ-KFWWJZLASA-N 321.421 -0.154 30 20 DBED CNC(=O)NCC(=O)NC[C@@H](C)CNc1cnc(C#N)cn1 1104246253 NKSZCWLNUGGQKA-VIFPVBQESA-N 305.342 -0.559 30 20 DBED C#CCNCC[C@@H]1CN(C(=O)[C@H](C)NS(C)(=O)=O)C[C@H]1C 1104725437 VTTZCJOHMMIFJM-FRRDWIJNSA-N 315.439 -0.369 30 20 DBED C[C@@H]1CN(C(=O)CNC(N)=O)CC[C@H]1Nc1cnc(C#N)cn1 1105030770 YJMNLBWDFCTAKN-MWLCHTKSSA-N 317.353 -0.335 30 20 DBED Cc1cc(C(=O)N2CC(n3cc(CNCC#N)nn3)C2)nn1C 1105176562 ONGVFJFUEILCGQ-UHFFFAOYSA-N 314.353 -0.370 30 20 DBED C=CCNCc1cn(C2CN(C(=O)Cc3nonc3C)C2)nn1 1105351876 LOUMMRHSZNSZTA-UHFFFAOYSA-N 317.353 -0.129 30 20 DBED N#Cc1nccnc1NC[C@H](O)CNC(=O)c1ccc(O)nn1 1105735395 QGMUHCQIYLOTSN-QMMMGPOBSA-N 315.293 -0.953 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](O)CNC(=O)C[C@H]2CCOC2)n1 1105759416 LUNDKSLVTIVUIZ-YPMHNXCESA-N 319.365 -0.028 30 20 DBED CCOCCOCC(=O)NC[C@@H](O)CN=c1cc[nH]cc1C#N 1105872374 PYASBNWIZLKGDW-ZDUSSCGKSA-N 322.365 -0.683 30 20 DBED CCCN(C)CC(=O)NC[C@H](O)CNc1cnc(C#N)cn1 1105909986 PHCMSHAKSXJRLO-GFCCVEGCSA-N 306.370 -0.421 30 20 DBED CN1CC[C@@H](CC(=O)NC[C@H](O)CN=c2cc[nH]cc2C#N)C1 1105913662 GKPMSDQGNYSGGA-GXTWGEPZSA-N 317.393 -0.394 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)[C@@H]2CCC(=O)N2)cn1 1105921694 HBZUXWQTLYVXNU-NEPJUHHUSA-N 303.322 -0.879 30 20 DBED Cc1nc(C)c(C(=O)NC[C@@H](O)CN=c2cc[nH]cc2C#N)[nH]1 1106109952 BIGYYKMIWWWOJI-LBPRGKRZSA-N 314.349 -0.082 30 20 DBED C#CCOCCC(=O)N1C[C@@H](C)[C@H](CNCC(=O)NCC#N)C1 1106114738 IILVVNNCBQJEJA-ZIAGYGMSSA-N 320.393 -0.650 30 20 DBED C[C@H](CNc1nccnc1C#N)NC(=O)[C@H]1CN(C)C(=O)N1 1108041386 OSKVYPZDUVRTBP-PSASIEDQSA-N 303.326 -0.712 30 20 DBED C[C@@]1(CNC(=O)[C@@H]2CCCc3nn[nH]c32)CN(CC#N)CCO1 1108163604 MTLIPLUJAOWRRM-IAQYHMDHSA-N 318.381 -0.045 30 20 DBED COCC#CCN1CCO[C@](C)(CNC(=O)c2ccnnc2)C1 1108238371 ONSJAMZJEJDSED-MRXNPFEDSA-N 318.377 -0.053 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H](C)CNc1ccc2nnnn2n1 1108337509 CNWGMYFLDSATRH-TVQRCGJNSA-N 305.342 -0.237 30 20 DBED C=CCN1CCN(C(=O)[C@H](C)COC)[C@@H]2CS(=O)(=O)C[C@@H]21 1108465409 POLSYLSMKLRGKG-FRRDWIJNSA-N 316.423 -0.235 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)CN(C)C(C)C)CC2=O)C1 1108591984 KBDSWPCGRUQSDN-CYBMUJFWSA-N 308.426 -0.086 30 20 DBED CNC(=O)CC(=O)N(CCO)CCNc1ccc(C#N)cn1 1111458435 ZJBBTVJTMZHDAP-UHFFFAOYSA-N 305.338 -0.678 30 20 DBED C#CCNC(=O)CC(=O)N1CCN(Cc2ncccn2)CC1 1112774282 POEAWNPMYLTYNU-UHFFFAOYSA-N 301.350 -0.740 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)c2ccc(C)nn2)CC1 1112835961 VSPDLSBLRQRAKI-ZDUSSCGKSA-N 315.377 -0.319 30 20 DBED CC[C@H]1OCCC[C@H]1C(=O)N1CCN(CC(=O)NCC#N)CC1 1112939599 CFGFQEXSZODTSA-ZIAGYGMSSA-N 322.409 -0.024 30 20 DBED C[C@@H](CNC(=O)CN1CCCC1=O)N(C)c1ccnc(C#N)n1 1113489178 RJLANQNYALELAB-NSHDSACASA-N 316.365 -0.088 30 20 DBED COC(=O)NCC(=O)NC[C@@H](C)N(C)c1nc(C)cc(C#N)n1 1113512357 HZPQAMXRNIONBN-SNVBAGLBSA-N 320.353 -0.046 30 20 DBED COCC#CCN1CCN(C(=O)[C@@H]2CCC(=O)N(C)C2)CC1 1113686821 WZEJSEKRZREXGB-CQSZACIVSA-N 307.394 -0.351 30 20 DBED C[C@H](CNC(=O)Cn1nccn1)N(C)c1cncc(C#N)n1 1113738172 NAUTUKNRXUFXAU-SNVBAGLBSA-N 300.326 -0.419 30 20 DBED C[C@H](CNC(=O)c1nnn(C)n1)N(C)c1ccc(C#N)cn1 1113815227 XETFVTILNHAXOA-SECBINFHSA-N 300.326 -0.269 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3ccc(C)nc3)[C@H]2C1 1113860397 MODHVBFUCQDIDF-KBPBESRZSA-N 312.373 -0.201 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)COC(C)(C)C)[C@H]2C1 1114163064 AASMIZWENYCBDF-CXTNEJHOSA-N 321.421 -0.014 30 20 DBED O=C(C#CC1CC1)NC1[C@H]2CN(CCNC(=O)C3CC3)C[C@H]12 1114258920 ZSCURBWKZKOTFQ-KBPBESRZSA-N 301.390 -0.028 30 20 DBED Cc1occc1C(=O)NCC(=O)NC1[C@@H]2CN(CC#N)C[C@@H]12 1114316324 DQNSMJPSFXSZSY-VXGBXAGGSA-N 302.334 -0.112 30 20 DBED C=CCC1(C(=O)N[C@H]2[C@@H]3CN(CC(=O)NC(N)=O)C[C@@H]32)CCC1 1114783517 QNUJJQPBUDIDRJ-PJXYFTJBSA-N 320.393 -0.026 30 20 DBED C#CCN1C[C@@H]2C(NC(=O)CNC(=O)C3CCOCC3)[C@H]2C1 1114988689 JWJKILLMHRNYAR-STQMWFEESA-N 305.378 -0.791 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)c3cccn(C)c3=O)[C@@H]2C1 1115132821 RAFCXWNAURZJMU-ZIAGYGMSSA-N 315.373 -0.305 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)c3cnn4cc[nH]c34)[C@@H]2C1 1115168055 OOXRYWLFJWGDAM-CHWSQXEVSA-N 313.361 -0.028 30 20 DBED C=CCO[C@H](C)C(=O)N[C@H]1[C@@H]2CN(Cc3nc(O)n[nH]3)C[C@@H]21 1115333166 UEZLJUUJFRBPAH-SVDPJWKOSA-N 307.354 -0.352 30 20 DBED CC(C)(C)C(=O)NCCNC(=O)C(=O)N1CCO[C@@H](C#N)C1 1117155468 XSDDVLBCCFLNAK-JTQLQIEISA-N 310.354 -0.984 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)C(=O)NCCOC2CCCC2)C1 1118211772 VMPQSSZGWYFFKZ-OAHLLOKOSA-N 309.366 -0.061 30 20 DBED C=CCN(C(=O)C(=O)N[C@@H](C)CS(C)(=O)=O)[C@@H](C)COC 1118683672 ZLGSRCRMKCOLNL-QWRGUYRKSA-N 320.411 -0.415 30 20 DBED C[C@@H](CN(C)C(=O)[C@]1(C)CCC(=O)N1)N=c1cc[nH]c(C#N)n1 1120586786 MVFTZHBSPHPCHC-BONVTDFDSA-N 316.365 -0.302 30 20 DBED COC(=O)NCC(=O)NC[C@H](CO)Nc1ncccc1C#N 1121112831 GFNIWYPPMKGLHD-SNVBAGLBSA-N 307.310 -0.802 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)Cn2cncn2)nc1 1121535418 CJOLBYVPFSNRKE-NSHDSACASA-N 301.310 -0.866 30 20 DBED CN(C)CCCCC(=O)NC[C@H](CO)Nc1cnc(C#N)cn1 1121848372 WWYIXEAZYRMQGX-CYBMUJFWSA-N 320.397 -0.031 30 20 DBED CN(C[C@@H](O)CNc1nccnc1C#N)C(=O)c1cnccn1 1124045694 IJEQKXTZBQMYJG-JTQLQIEISA-N 313.321 -0.317 30 20 DBED CC(=O)NCC(=O)N(C)C[C@H](O)CNc1ncccc1C#N 1124086064 HKTFIXBLPRJDFQ-GFCCVEGCSA-N 305.338 -0.679 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]cc1C#N)C(=O)CSCC#N 1124111553 JQAUVTZDPOGEMJ-LBPRGKRZSA-N 319.390 -0.137 30 20 DBED CN(C[C@@H](O)CNc1cnc(C#N)cn1)C(=O)Cn1cccn1 1124116278 GARLHGKHJDZBER-LBPRGKRZSA-N 315.337 -0.524 30 20 DBED COCCOCC(=O)N(C)C[C@@H](O)CNc1nccnc1C#N 1124191941 RLXJUHUEUNMARG-NSHDSACASA-N 323.353 -0.758 30 20 DBED CN(C[C@@H](O)CN(C)c1ccc(C#N)nn1)C(=O)c1cnn[nH]1 1125373709 IENBWAWZASLXIT-JTQLQIEISA-N 316.325 -0.964 30 20 DBED COCCN(CCNC(=O)c1cn[nH]c1)c1ccnc(C#N)n1 1126227341 SQULCABFLIFWHQ-UHFFFAOYSA-N 315.337 -0.046 30 20 DBED C#CCO[C@H](C)C(=O)NCCNCC(=O)Nc1c(C)n[nH]c1C 1127051275 FCLVNUBSOHXSQT-GFCCVEGCSA-N 321.381 -0.291 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)c1cn(C)nc1CC 1130016857 LEOXARJFMBSTRK-LLVKDONJSA-N 307.398 -0.007 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)[C@H](C)CC(N)=O)CC1 1131371911 ROXJHGKRRUNRTL-GFCCVEGCSA-N 310.398 -0.666 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2ncccn2)CC[C@H]1C 1132377496 XWHDTGVBPQHANS-OLZOCXBDSA-N 315.377 -0.191 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)C1(C(=O)N(C)C)CC1 1147314020 LRVKPHGDOREWHB-LLVKDONJSA-N 310.398 -0.749 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)Cn1ccnc1)C2 1148906136 ZZZJRXYHSMVKLY-UHFFFAOYSA-N 315.377 -0.833 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)CN(C)c1ccccc1 1153324471 KOYNUKBKUXBLNA-CQSZACIVSA-N 316.405 -0.034 30 20 DBED C=CCNC(=O)CN(CC)[C@H](C)CNC(=O)[C@H]1C[C@H]1C(N)=O 1155269325 ZIXMBLNPMPGTHI-UTUOFQBUSA-N 310.398 -0.763 30 20 DBED C=CCOCC(=O)NCCCNCc1cc(=O)n2nccc2[nH]1 1155707906 VPBYFVDQTJQRCS-UHFFFAOYSA-N 319.365 -0.179 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)c2cncnc2)C1=O 1156952797 FMFCDANVXZNFEA-CYBMUJFWSA-N 303.366 -0.027 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)C1CCC(O)CC1 1157286446 NVFOPKCRFFCKNN-IYXRBSQSSA-N 309.410 -0.229 30 20 DBED C#CCO[C@H](C)C(=O)NCCCNCC(=O)NCCOCC 1157869340 JTZVMCLOGTYEPX-CYBMUJFWSA-N 313.398 -0.727 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)c1cnc(O)n1C 1163940019 VYAVILPWMZKOLI-SNVBAGLBSA-N 309.370 -0.474 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)[C@H]1C[C@H]1C(=O)N(C)C 1166772668 LDZVLBOJRSSSFE-FRRDWIJNSA-N 324.425 -0.503 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)CCc2cnn[nH]2)C1=O 1166952939 CSDYHHCUEUJMFW-CYBMUJFWSA-N 320.397 -0.380 30 20 DBED C=CCNC(=O)NC(=O)CNCCCNC(=O)c1ncccn1 1168950742 WKWJGOHTJFBKMK-UHFFFAOYSA-N 320.353 -0.802 30 20 DBED COCC#CCNCCCCCCNC(=O)Cn1cnnn1 1177877854 QEFHQFGJIQKLED-UHFFFAOYSA-N 308.386 -0.411 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)Cc2cncnc2)[C@H]1C 1178559781 IGOGXPXDOMIVMR-JSGCOSHPSA-N 317.393 -0.100 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](NCc2nc(C)no2)C1 1182134730 UNRUMLNPBGNCNR-LLVKDONJSA-N 305.338 -0.792 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](NCCn2cccn2)C1 1182145602 ROABRHOILKDFFD-CYBMUJFWSA-N 303.366 -0.787 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CCNC(=O)CC2)C1 1184594617 SDMIRJIBZKYWHG-QWHCGFSZSA-N 322.409 -0.605 30 20 DBED C=CCCN[C@@H]1CCN(C(=O)CNS(=O)(=O)N(C)C)C1 1185976537 CBSUJNJQPNHWIT-LLVKDONJSA-N 304.416 -0.851 30 20 DBED CO[C@@H](C)CC(=O)N1CC[C@H]2CN(CC(=O)NCC#N)C[C@H]21 1187261522 CKHPKXUZSZAGMH-RWMBFGLXSA-N 308.382 -0.416 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2cnc(C)cn2)C1 1188708811 IWRTUCAVRZXJJM-ZDUSSCGKSA-N 315.377 -0.319 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C2[C@H]3CCCC[C@H]23)C1 1192029478 PYFOZCZRWPOIJJ-IGQOVBAYSA-N 321.421 -0.114 30 20 DBED COc1ccc(CN2C[C@@H](O)[C@H](NC(=O)C#CC(C)C)C2)nn1 1192752288 WOTITRMPLMIQCM-ZIAGYGMSSA-N 318.377 -0.194 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2cncs2)C[C@H]1O 1192891418 MOXCMPFEGXCJEZ-CHWSQXEVSA-N 309.391 -0.156 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)c2ccc(=O)n(C)c2)C1 1194384555 DDJDFXSMURCOOB-ZIAGYGMSSA-N 321.377 -0.637 30 20 DBED C=C(C)C[C@@H](C)C(=O)N[C@@H]1CN(Cc2nc(O)n[nH]2)C[C@H]1O 1195532268 NRZNIHPEUJXQAI-GMTAPVOTSA-N 309.370 -0.226 30 20 DBED N#CCN1CCCN(C(=O)CNC(=O)c2cscn2)CC1 1197721443 HBNWYFUAEYWNKR-UHFFFAOYSA-N 307.379 -0.069 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)NC(=O)CC(C)(C)C)C1 1197723760 JPAXGYHSXHVJAJ-JHJVBQTASA-N 309.410 -0.278 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@@H]1CN(C(=O)C(F)F)CCCO1 1199634712 VWWDZSXWCQRJLX-GHMZBOCLSA-N 317.336 -0.404 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)[C@@H]2CCOC2)CCCO1 1200019012 CWOSVRAYOKXQGY-HUUCEWRRSA-N 310.394 -0.120 30 20 DBED C=CCOCC(=O)N1CCCO[C@@H](CNC[C@H](O)COC)C1 1200109431 SSWYEBNTSNBCSE-KBPBESRZSA-N 316.398 -0.597 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CCN(C(=O)[C@H](C)OCC#C)CC1 1200540728 DPOOAQSVDMNRSV-KGLIPLIRSA-N 319.405 -0.257 30 20 DBED CC#CCNC[C@H]1CN(C(=O)CN2CCOCC2=O)CCCO1 1200696962 XXXXKIHOKBHFGA-AWEZNQCLSA-N 323.393 -0.924 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)[C@@H](C)S(C)(=O)=O)CCCO1 1200814840 MJKUOUBVZXQIHI-CHWSQXEVSA-N 316.423 -0.350 30 20 DBED C=CCCNC1CCN(C(=O)CNC(=O)CNC(C)=O)CC1 1201293679 NQKIEDOSLHMPPU-UHFFFAOYSA-N 310.398 -0.605 30 20 DBED C#CCNC(=O)[C@@H](C)NCC1CCN(C(=O)CNC(C)=O)CC1 1204326653 ZZSUVDKJSGOWOB-GFCCVEGCSA-N 322.409 -0.911 30 20 DBED C=CCNC(=O)CNCC1CCN(C(=O)c2cnon2)CC1 1206649635 GGXJENRAGWQQDK-UHFFFAOYSA-N 307.354 -0.186 30 20 DBED COCC#CCNCC1CCN(C(=O)[C@@H]2CCC(=O)N2)CC1 1206883250 XAMKZMQVSPDLEJ-AWEZNQCLSA-N 307.394 -0.257 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@@H](NCc2cnnn2C)C1 1207869979 NRQVXEOLBVNVJF-GFCCVEGCSA-N 318.381 -0.965 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@@H](N[C@@H](C)C(=O)N(C)C)C1 1207872787 VJTDWSNXSAMOOK-QWHCGFSZSA-N 322.409 -0.817 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCCN(C(=O)CC(=O)NCC)C1 1207878771 YZFYEROLEPOZKZ-OLZOCXBDSA-N 322.409 -0.769 30 20 DBED C=CCn1cc(C(=O)N2CCC[C@H](N[C@@H](C)C(=O)NC)C2)nn1 1210010018 KYMIUCDVHQJZIP-RYUDHWBXSA-N 320.397 -0.207 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)Cc2nc[nH]n2)[C@H](C)C1 1210172247 HDSBNEGGPZODTB-GRYCIOLGSA-N 320.397 -0.526 30 20 DBED CCN(C)CCC(=O)N1CCC[C@@H](NCC(=O)NCC#N)C1 1210481906 GSSYNVHIRWKFGT-CYBMUJFWSA-N 309.414 -0.451 30 20 DBED CC(C)N(C)CC(=O)N1CCC[C@H](NCC(=O)NCC#N)C1 1211268018 GCDYQPJLMJLUJO-ZDUSSCGKSA-N 309.414 -0.453 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2cncs2)[C@H](OC)C1 1211937581 PFPHOVVWNUYZHP-GHMZBOCLSA-N 322.390 -0.679 30 20 DBED C=C(C)CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CCNC(N)=O 1219024960 NSYLMFJEUHEBIW-QWHCGFSZSA-N 310.398 -0.077 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)c2ccncc2)C1 1219098792 SAIKESSIFJOSGY-BNOWGMLFSA-N 318.377 -0.453 30 20 DBED CCn1c(C)nnc1CN1C[C@H](O)[C@H](NC(=O)[C@H](C)C#N)C1 1219379657 WBMZCMCVXKMOTF-JLLWLGSASA-N 306.370 -0.573 30 20 DBED CC#CCCCC(=O)N[C@@H]1CN(Cc2n[nH]c(C)n2)C[C@@H]1O 1220185775 MTSJLJIWMWQUAV-OLZOCXBDSA-N 305.382 -0.032 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)CN2CC[C@@H](C)C2)C1 1220355379 NURTWGWCNYEZRB-KFWWJZLASA-N 311.426 -0.308 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)C2(S(C)(=O)=O)CCCC2)C1 1220542667 LGNSPBFSKKGNKA-NEPJUHHUSA-N 314.407 -0.862 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)CO[C@@H](C)c2nccn2C)C1 1220866255 KXVLMFGZTCWLCJ-MJBXVCDLSA-N 320.393 -0.318 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@@H]2CN(C(=O)COCC)[C@@H]2C1 1221248807 LZQYHCSXJAFYSK-MGPQQGTHSA-N 307.394 -0.307 30 20 DBED COCC#CCN1CCC(CNC(=O)[C@H]2CC(=O)N(C)C2)CC1 1223362788 PRYRRYJDVQNBLQ-HNNXBMFYSA-N 321.421 -0.057 30 20 DBED CCN(CCC#N)C(=O)CN1CCC(CNC(=O)C(N)=O)CC1 1224294483 QDWSHYDDLQZAGI-UHFFFAOYSA-N 323.397 -0.938 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC(NC(=O)Cc2cnc[nH]2)CC1 1229362556 ACKZUSBSFMTFOM-GFCCVEGCSA-N 317.393 -0.329 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC(NC(=O)c2cccnn2)CC1 1229707846 UYFHSBAGYMGQNR-GFCCVEGCSA-N 315.377 -0.191 30 20 DBED C=CCNC(=O)NC(=O)CN(C)CCCNC(=O)[C@@H](C)OC 1234594344 PRUCEJDMUAAMHC-LLVKDONJSA-N 314.386 -0.529 30 20 DBED C#CCNC(=O)CN1CCN(C[C@@H]2CC3(CC3)C(=O)O2)CC1 1261544554 WDQWZTGCLUGALB-ZDUSSCGKSA-N 305.378 -0.551 30 20 DBED COC(=O)COCCNC(=O)C(=O)Nc1cc(C)c(C#N)cn1 1261827385 XHXXKLQZKLUVIN-UHFFFAOYSA-N 320.305 -0.494 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCC[C@H]2CN(C)CC[C@@H]21 1323261654 MTDNKKVIUSAFOP-KBPBESRZSA-N 307.394 -0.305 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N(C)[C@H](C)CN1CCOCC1 1323824634 XALKNYDQSWTBAX-CHWSQXEVSA-N 313.398 -0.517 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CCSC[C@@H]1CCO 1324234847 KLLDEZFYVYFFNQ-MNOVXSKESA-N 302.396 -0.370 30 20 DBED CN(CC(=O)N1CCOCC1)C(=O)C(=O)NCC1(CC#N)CC1 1324832998 YWZMBIFMIJYALO-UHFFFAOYSA-N 322.365 -0.886 30 20 DBED CC[C@@H](C)N1CCN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)CC1 1327042075 KSWGWALPQZCSFG-CZUORRHYSA-N 322.409 -0.194 30 20 DBED C[C@]1(c2cnccn2)NC(=O)N(CC(=O)NCCC#N)C1=O 1329447804 SZNGAEHWSGJGQR-CYBMUJFWSA-N 302.294 -0.727 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)N2CCC[C@H](CO)C2)CCN1C1CC1 1329768762 WZJDFGLURXXIQO-JSGCOSHPSA-N 320.393 -0.584 30 20 DBED C#C[C@H](NC(=O)C(=O)NC[C@]1(OC)CCOC1)[C@H]1CCCO1 1329834123 LZDMZAQWCRJHDS-YWPYICTPSA-N 310.350 -0.795 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N[C@H](C)c1ncn(C)n1 1330306242 PJPAWFYWMQGGHE-MNOVXSKESA-N 307.354 -0.463 30 20 DBED C#CCOCCNC(=O)C(=O)N1CC[C@@H](C(=O)OC)[C@@H](C)C1 1334095231 GMVQQIBCZFYUHX-NWDGAFQWSA-N 310.350 -0.590 30 20 DBED CN1CCC2(CC1)NC(=O)N(CN1CCOC[C@@H]1C#N)C2=O 1339478925 CDZFAKLZTKVELZ-NSHDSACASA-N 307.354 -0.816 30 20 DBED CN1C(=O)[C@@H]2CN(c3nnc([C@@H]4C[C@H]4C#N)n3C)C[C@@H]2C1=O 1339700947 PKDSKSVSPHQDAQ-QCLAVDOMSA-N 300.322 -0.507 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N(C)CCOCC 1347198876 FKHQUGMMRSDSPA-UHFFFAOYSA-N 306.384 -0.802 30 20 DBED CNC(=O)[C@H]1CN(Cc2cc(O)n3ncc(C#N)c3n2)CCO1 1363225020 KZSVZYQYDTVXKJ-LLVKDONJSA-N 316.321 -0.747 30 20 DBED C=C(Br)CNC(=O)NC[C@H](O)Cn1ccnn1 1364518513 ICAWRHGPSJFHSO-QMMMGPOBSA-N 304.148 -0.153 30 20 DBED CC(C)[C@@H](CNC(=O)CCS(C)(=O)=O)NC(=O)[C@@H](C)C#N 1376027687 YUKGCRASXNNKQP-WDEREUQCSA-N 317.411 -0.162 30 20 DBED C=C(Br)CN1CC[C@@H]1CNC(=O)Cn1cnnn1 1379936809 BLFKPLFMAURYKY-SECBINFHSA-N 315.175 -0.228 30 20 DBED CN(CCNC(=O)[C@@H]1CCCC(=O)N1C)c1ccnc(C#N)n1 1387824436 LXDGLTGYQPLKJD-NSHDSACASA-N 316.365 -0.088 30 20 DBED C[C@H](C#N)C(=O)N1CC(NC(=O)CNC(=O)N2CCCC2)C1 1389202802 LAKABCLZESSCLW-SNVBAGLBSA-N 307.354 -0.722 30 20 DBED CO[C@H](C1CC1)[C@H](C)NC(=O)Cn1cc(C#N)c(O)nc1=O 1412120918 AGLMCEHLBBYODB-UFBFGSQYSA-N 306.322 -0.250 30 20 DBED C[C@@H](CN(C)C(=O)c1ccn2nnnc2c1)NC(=O)[C@@H](C)C#N 1425164424 IZAIGWVIMSBLHO-UWVGGRQHSA-N 315.337 -0.139 30 20 DBED COCCN(Cc1cc(O)n2ncc(C#N)c2n1)[C@H](C)C(N)=O 1434457650 FHCRDPSPUQIQEA-SECBINFHSA-N 318.337 -0.371 30 20 DBED C=C(Cl)CN(C)CCNC(=O)CNS(=O)(=O)N(C)C 1437527397 PSPYHMFUHPZWGC-UHFFFAOYSA-N 312.823 -0.817 30 20 DBED CNC(=O)[C@H](CC(C)C)NC(=O)Cn1cc(C#N)c(O)nc1=O 1447306133 LGTUHWAVPFXAOD-JTQLQIEISA-N 321.337 -0.903 30 20 DBED CCC(=O)NCC(=O)NCCN(C)C(=O)c1c[nH]c(C#N)c1 1448770397 RTNZNXRKANMCTK-UHFFFAOYSA-N 305.338 -0.399 30 20 DBED CC[C@@H](CNC(=O)Cn1ccc(O)nc1=O)NC(=O)[C@@H](C)C#N 1451021640 YDJHCHZOFJNQPT-UWVGGRQHSA-N 321.337 -0.880 30 20 DBED Cc1c(C(=O)NCCn2cc(C#N)c(O)nc2=O)cnn1C 1470361500 RYALLUWHAKGTLE-UHFFFAOYSA-N 302.294 -0.708 30 20 DBED CCN(CCNC(=O)[C@@H](C)C#N)CC(=O)NC(=O)NC1CC1 1492925912 SAEYMANNMSWPPE-JTQLQIEISA-N 309.370 -0.428 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)CNC(=O)N2CCCC2)C1 1494045051 DRRZQTMGFFCZPL-IJLUTSLNSA-N 321.381 -0.285 30 20 DBED N#Cc1ccc(CNC[C@H](O)CNC(=O)c2cnn[nH]2)s1 1497006286 QSEXUHOCNIEHHN-QMMMGPOBSA-N 306.351 -0.382 30 20 DBED CO[C@@H]1CCCCN(CC(=O)N[C@H]2CCCN(O)C2=O)C1=O 1552209889 NZYYOOJROATYJK-WDEREUQCSA-N 313.354 -0.490 30 20 DBED C[C@H](C(=O)NC1(C#N)CCC1)N1C[C@H]2COC[C@@]2(C(=O)O)C1 1573364845 SLGVAEJTVSSBSF-ZETOZRRWSA-N 307.350 -0.030 30 20 DBED CCn1cc(C#N)c(NC(=O)NC[C@H](O)[C@H](C)O)c1C(=O)O 1573844172 AGRYDQRJVUIDID-CBAPKCEASA-N 310.310 -0.059 30 20 DBED CS(=O)(=O)[C@H]1C[C@H](NC(=O)C2CC3(CNC[C@H]3C#N)C2)C1 1579349192 VVBUZAOPVFCSDF-XNDMDBMLSA-N 311.407 -0.182 30 20 DBED C#CC1(O)CN(C(=O)[C@@H](C)Oc2ccc(-c3nn[nH]n3)cc2)C1 1588333395 PEQGZPDSZQDLFH-SNVBAGLBSA-N 313.317 -0.160 30 20 DBED C#CCNCC(=O)N[C@@H]1CCN(c2sccc2C(=O)O)C1=O 1588485537 WAYGELHLMBHAIA-SNVBAGLBSA-N 321.358 -0.109 30 20 DBED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@H](F)C(=O)O 1588534376 GASUMUFVTYEPKV-LPEHRKFASA-N 302.302 -0.377 30 20 DBED C=CCCC[C@@H](NC(=O)c1cnn(C[C@H](O)CO)c1)C(=O)O 1588798021 RJCKDOUAMYNRAA-NWDGAFQWSA-N 311.338 -0.224 30 20 DBED C[C@H](C(=O)Nc1ccc(-c2nn[nH]n2)cn1)n1cnc(C#N)n1 1589015448 KSUAEYMKKZKWPS-SSDOTTSWSA-N 310.281 -0.075 30 20 DBED N#Cc1ncc(N2CCN3CCOC[C@@H]3C2)nc1-c1nn[nH]n1 1592708352 LDXZVHWVRSUIPP-VIFPVBQESA-N 313.325 -0.951 30 20 DBED N#Cc1ncc(N[C@H](CO)C2CCOCC2)nc1-c1nn[nH]n1 1592710614 RBBSOYCKMFLXGH-SNVBAGLBSA-N 316.325 -0.272 30 20 DBED C#CC1(O)CN(S(=O)(=O)c2cc(C(=O)O)c(Cl)o2)C1 1602676527 ACWFMAPYHWGAMO-UHFFFAOYSA-N 305.695 0.000 30 20 DBED C=CCOC[C@@H](NC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1)C(=O)O 1602910013 NDNBVBGIRHUMCQ-MXWKQRLJSA-N 314.338 -0.429 30 20 DBED CN(CC#N)C[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 1752516421 GKJWLLVNBIJBHL-QWRGUYRKSA-N 307.354 -0.722 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@@H](NC(=O)Cc2ccn(CC)n2)C1 1752730643 IDAYPUZBBJDNDK-OKILXGFUSA-N 317.393 -0.568 30 20 DBED CCNC(=O)CC(=O)NC[C@@H]1CCCCN1CC(=O)NCC#N 1752816579 PKFBMFAWNLHNHO-LBPRGKRZSA-N 323.397 -0.877 30 20 DBED C#CCCN[C@@H](C)CNC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 1752888963 JFFPFDLIDHZSAC-XHSDSOJGSA-N 323.437 -0.016 30 20 DBED CN(CCNC(=O)c1ccc2cccnn12)CC(=O)NCC#N 1753066523 NLTAYQOWLBCCPE-UHFFFAOYSA-N 314.349 -0.364 30 20 DBED COCC#CCN1CC[C@@H](CNC(=O)CCn2cnnn2)C1 1753137505 KYHZHURQCSNNGC-ZDUSSCGKSA-N 306.370 -0.849 30 20 DBED C=C[C@](C)(CC)C(=O)N(C)CCNCC(=O)N1CCNC(=O)C1 1753228261 NSRZKCXUUISNJS-MRXNPFEDSA-N 324.425 -0.405 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1[nH]nnc1C 1753422814 MDMRMLDDXAYLPX-WOPDTQHZSA-N 316.365 -0.850 30 20 DBED C#CCNC(=O)CNC[C@H](C)CNC(=O)[C@H]1CCCOCC1 1753610858 LENAEIGTPCDZCF-KBPBESRZSA-N 309.410 -0.106 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2ccnn2C)C[C@H]1C 1753770583 WJYPLWRAQFKQJR-OLZOCXBDSA-N 317.393 -0.390 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)CCN(C)C(=O)c1cnnn1CC 1753852571 SIWHVEQBXWXYHS-GFCCVEGCSA-N 320.397 -0.560 30 20 DBED CC(C)Cn1ncnc1CNC[C@H](O)CNC(=O)C#CC1CC1 1753911079 KFMFZJXIUHLODJ-AWEZNQCLSA-N 319.409 -0.086 30 20 DBED C=CCN1CC[C@@H](NC/C=C\CNC(=O)c2[nH]nnc2C)C1=O 1754165421 AFJKOFXRXKZCMC-QMAVJUDZSA-N 318.381 -0.224 30 20 DBED COc1ccc(C(=O)NC/C=C\CNCC(=O)NCC#N)nn1 1754190688 PJMFHEHQHVUYKS-IHWYPQMZSA-N 318.337 -0.999 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@@H](C)NC(=O)CCc1ccnn1C 1754227708 MNZAREOVGVDWOK-OLZOCXBDSA-N 319.409 -0.415 30 20 DBED C#CCNC(=O)CNC1(CNC(=O)c2cc(OC)n(C)n2)CC1 1754520145 GMBHQDPOMMQPNU-UHFFFAOYSA-N 319.365 -0.970 30 20 DBED C#CCN(C(=O)c1ncc[nH]1)C1CCN([C@H]2CCNC2=O)CC1 1754635372 FKWABPWDGSIKAY-ZDUSSCGKSA-N 315.377 -0.162 30 20 DBED CC(C)(O)CC(=O)N1CC2(CCN(CC(=O)NCC#N)CC2)C1 1754959661 HUTJRNBHTSFOHX-UHFFFAOYSA-N 322.409 -0.288 30 20 DBED C=CCOCCN1CCOC[C@H]1CNC(=O)[C@@H]1COCCO1 1754964046 TXKQSRIDXCXDLT-KGLIPLIRSA-N 314.382 -0.579 30 20 DBED COc1ncnc(OC)c1C(=O)N1CCO[C@@H](CNCC#N)C1 1755018458 XNFZQKNKYABKFQ-JTQLQIEISA-N 321.337 -0.552 30 20 DBED CC#CCN[C@@]1(CO)CCCN(C(=O)C[C@@H](C)NC(N)=O)C1 1755083491 SBHRQHOUFGMYHN-DOMZBBRYSA-N 310.398 -0.600 30 20 DBED C#CCN[C@@]1(CO)CCCN(C(=O)c2ccc(=O)n(C)c2)C1 1755086071 PMNADLXYNDKYFG-INIZCTEOSA-N 303.362 -0.425 30 20 DBED C#CCN[C@@]1(CO)CCCN(C(=O)c2cnn3ccncc23)C1 1755086491 SHLUWCUYMUQOTE-INIZCTEOSA-N 313.361 -0.081 30 20 DBED CNC(=O)CN1CCO[C@]2(CCN(C(=O)C#CC(C)C)C2)C1 1755399985 ASMPXFKWTFOXDB-MRXNPFEDSA-N 307.394 -0.305 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](CNC(=O)C3(COC)CC3)[C@H]2C1 1755426307 PXSVSHQRSMUZSD-ZSOGYDGISA-N 319.405 -0.544 30 20 DBED C#CCCN[C@H]1CCN(C(=O)CCc2nnc(O)nc2O)[C@@H]1C 1755656561 PYSXOAKCLLXKSW-MNOVXSKESA-N 319.365 -0.182 30 20 DBED COCC#CCNC[C@@H](O)CN(C)C(=O)[C@@H](F)C(F)(F)F 1755779645 NQAAGERTXUNYRN-NXEZZACHSA-N 314.279 -0.055 30 20 DBED CNC(=O)NC(=O)[C@H](C)NC1CC(N(C)C(=O)C#CC2CC2)C1 1755857055 YESWFGPKASZGIG-PKSQDBQZSA-N 320.393 -0.177 30 20 DBED C[C@H]1[C@H](NC(=O)CC(N)=O)CCCN1C(=O)c1cc(C#N)c[nH]1 1756624064 URHFYCQNENDQPJ-GXSJLCMTSA-N 317.349 -0.129 30 20 DBED C=CC(C)(C)C(=O)NC[C@H](O)CN(C)C(=O)[C@@H]1CCC(=O)N1 1756672423 WJDBREBPUHKCIC-QWRGUYRKSA-N 311.382 -0.587 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(C(=O)[C@@H](C)n2cccn2)C[C@H]1O 1756993732 MGHPJRLEWYIGSU-MGPQQGTHSA-N 318.377 -0.209 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)CN1CCCC1)CCO2 1783046705 TUFBKTKJEMNOPU-MRXNPFEDSA-N 305.378 -0.455 30 20 DBED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc(O)[nH]3)[C@H]2C1 1788956836 GREKIPSQAAQYPG-NHCYSSNCSA-N 318.333 -0.658 30 20 DBED C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCC(=O)NC1 1792664076 XDRYRMQFQMECRP-FVCCEPFGSA-N 303.362 -0.216 30 20 DBED CC[C@H](C)[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC#N 1795078692 KZVYZHNBWLEREU-ZZVJUGKHSA-N 323.393 -0.103 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCCCO1)C2 1800451974 BCKKJAMPMDUVHZ-QVHKTLOISA-N 306.362 -0.222 30 20 DBED C#CCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cn1cnnn1)C2 1804183520 WHXUSBRPZWGLIK-CLLJXQQHSA-N 316.365 -0.275 30 20 DBED NCC(=O)N1CCC([C@H]2CCCCN2C(=O)C#CC(=O)O)CC1 1831668690 ABQFDGAVBPIPBS-CYBMUJFWSA-N 321.377 -0.347 30 20 DBED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1 1840841272 MLIDLKBFTPOOQB-MRXNPFEDSA-N 319.361 -0.230 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)CNC(C)=O)C2 1841603639 YRCIHOOJVSATFF-LBPRGKRZSA-N 321.377 -0.636 30 20 DBED CNC(=O)[C@H]1CN(CC(=O)NCc2ccc(C#N)cc2)CCO1 272865894 MZLDTSJBOHTBNN-CQSZACIVSA-N 316.361 -0.379 30 20 DBED CNS(=O)(=O)CCNS(=O)(=O)Cc1cccc(C#N)c1 275941789 SQHDZAFEKSABDT-UHFFFAOYSA-N 317.392 -0.473 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 278929548 SRMGQIDJUYMZPM-MRXNPFEDSA-N 323.393 -0.393 30 20 DBED CN1CCN(C)[C@H](CNS(=O)(=O)c2cncc(C#N)c2)C1 289805917 NEROIWCSTPKKIP-GFCCVEGCSA-N 309.395 -0.523 30 20 DBED N#Cc1ccc(S(=O)(=O)N[C@H](CCO)C(=O)O)cc1F 291892470 OZXNNRAVTFNVCJ-SNVBAGLBSA-N 302.283 -0.189 30 20 DBED CS(=O)(=O)N1CCC[C@@H](N/C(O)=N/CCn2cncn2)C1 328772378 RLGYQRJKSYLJHM-SNVBAGLBSA-N 316.387 -0.794 30 20 DBED CN1CCN(C(=O)CC/N=C(/O)N2CC(O)(C3CC3)C2)CC1 329234925 IELOTWJFTOOOQU-UHFFFAOYSA-N 310.398 -0.479 30 20 DBED CC(=O)N1CC(/N=C(/O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)C1 329939728 FVKJNUVHHYPADZ-TXFQPVFDSA-N 317.345 -0.019 30 20 DBED O=C1CN(/C(O)=N/C[C@H]2COCCO2)CN1CC(F)(F)F 330148267 UPVFPKBCSOXVJP-QMMMGPOBSA-N 311.260 -0.020 30 20 DBED CN(CCS(=O)(=O)c1cccc(C#N)c1)Cc1nnnn1C 338940278 LKPOMOYSMDZRSM-UHFFFAOYSA-N 320.378 -0.013 30 20 DBED COC(=O)CCN1CC[C@H](NC(=O)c2cnccc2C#N)C1=O 343662321 LYZNIBZDGVYADB-LBPRGKRZSA-N 316.317 -0.153 30 20 DBED CCOC(=O)c1c[nH]nc1S(=O)(=O)N1CCOC[C@H]1C#N 351697772 PZZYTDVXHBMZDL-MRVPVSSYSA-N 314.323 -0.501 30 20 DBED C[C@@H](CNC(=O)C(=O)N1CCC(C#N)CC1)CN1CCOCC1 357999154 YVMSGQZKYLKPJS-ZDUSSCGKSA-N 322.409 -0.167 30 20 DBED N#Cc1cccc(NCC(=O)NCCN2CCNC(=O)C2)c1 358540265 YMFXREDNQZDDSG-UHFFFAOYSA-N 301.350 -0.482 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](CN)C2CCCC2)C1=O 423960690 NKJMKTWJDLWMKY-LLVKDONJSA-N 322.365 -0.403 30 20 DBED CCC(CC)(CNS(=O)(=O)N1CCO[C@@H](C#N)C1)C(=O)O 424366872 JTWBMYYDVVLTRJ-JTQLQIEISA-N 319.383 -0.064 30 20 DBED C=C[C@@H]1OCC[C@H]1NC(=O)N[C@H](CC)CNS(C)(=O)=O 458956948 NWMGFJHRZSYCSU-MXWKQRLJSA-N 305.400 -0.043 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C)CC[C@H]2C)C1=O 523662571 OWPUULGTWJJIRM-LLVKDONJSA-N 322.365 -0.484 30 20 DBED C[C@]1(O)CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1 582390832 BPRIITGORXXHIO-AWEZNQCLSA-N 323.374 -0.180 30 20 DBED CN1C(=O)N[C@@]2(CCC[C@@H]2CN=c2nc[nH]cc2C#N)C1=O 591918055 IZTFFNAAGJVAJI-QMTHXVAHSA-N 300.322 -0.097 30 20 DBED CC(C)[C@@H](NS(C)(=O)=O)C(=O)N1CC[C@](O)(CC#N)C1 592842709 JZEROCXGGUCQSM-ZYHUDNBSSA-N 303.384 -0.563 30 20 DBED CN(C)S(=O)(=O)N1CCN(C(=O)NCC(C)(C)C#N)CC1 611637669 IOBJEVAYNPNCMJ-UHFFFAOYSA-N 317.415 -0.330 30 20 DBED C=CCN(C(=O)CN(C)S(=O)(=O)N(C)C)[C@@H](C)COC 617583574 LHDGXEIHDITLPJ-NSHDSACASA-N 307.416 -0.226 30 20 DBED CCOC[C@H](C(=O)OC)N(C)S(=O)(=O)N(CC)CCC#N 619712400 PZWFLFKMLKWBLV-LLVKDONJSA-N 321.399 -0.023 30 20 DBED C=CCn1cc(CNC(=O)N[C@H](C)[C@H]2CN(C)CCO2)nn1 644943145 CQCTWXQWADAEQF-DGCLKSJQSA-N 308.386 -0.018 30 20 DBED C=CCN(C(=O)NCCNS(=O)(=O)N(C)C)[C@@H](C)COC 665004644 BYSLYFBWTCYQQQ-NSHDSACASA-N 322.431 -0.385 30 20 DBED CCc1nn(CC(=O)NCCC(=O)O)c(=O)c(C#N)c1CC 737284946 MPBSOGCIPIONQM-UHFFFAOYSA-N 306.322 -0.169 30 20 DBED C#CCNC(=O)CON=C(N)c1ccc(S(C)(=O)=O)cc1 747833945 GJMZHFNMZQLLJW-UHFFFAOYSA-N 309.347 -0.524 30 20 DBED C=C(CN(C)C)C(=O)N(CCOC)[C@H]1CCS(=O)(=O)C1 764499630 OZUIHZOOMOOJRF-LBPRGKRZSA-N 304.412 -0.234 30 20 DBED C[C@H]1CC(=NC(=O)COc2ccc(S(N)(=O)=O)cc2)NO1 765380132 XNVHMNGMDDLWPV-QMMMGPOBSA-N 313.335 -0.049 30 20 DBED CN1CC[C@H](C(=O)NS(=O)(=O)c2ccc(C#N)cc2)C1=O 773937988 KXPDPESWKLFFTL-LLVKDONJSA-N 307.331 -0.159 30 20 DBED C#CCOCCNC(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1 784591754 MXGSCCLGSDZOAY-AWEZNQCLSA-N 314.345 -0.127 30 20 DBED CNS(=O)(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N 795878316 ZRWJDORIBCHJHP-VIFPVBQESA-N 304.372 -0.105 30 20 DBED C#CCCCNC(=O)C(=O)N[C@@H]1CCOC[C@H]1OCCOC 806911078 IOHFIUVUJIULPV-CHWSQXEVSA-N 312.366 -0.547 30 20 DBED CCOC(=O)CON=C(C(=O)N1CC(C#N)C1)c1cc[nH]n1 817554307 NOKAHMLOYLPWLD-UHFFFAOYSA-N 305.294 -0.325 30 20 DBED Cc1cc(NC(=O)C(=O)N2CC[C@H](C(=O)O)C2)n(CCC#N)n1 820986389 PSACEXTZBXGPRW-JTQLQIEISA-N 319.321 -0.023 30 20 DBED N#CCCCS(=O)(=O)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 826381516 OSJGVWHOCQRLKO-UHFFFAOYSA-N 309.311 -0.442 30 20 DBED CON1CCC(=NNC(=S)NCCN2CCOCC2)CC1 834918947 AWJYBGQKVPFRBB-UHFFFAOYSA-N 315.443 -0.204 30 20 DBED C#CCCN1CCC(NC(=O)c2nc(N)nc(N(C)C)n2)CC1 846635881 ZSWKLQZJFJBZHC-UHFFFAOYSA-N 317.397 -0.263 30 20 DBED C#CCCN(CCOC)C(=O)NCCNS(=O)(=O)N(C)C 854106810 NTHXJSDDKQKUAI-UHFFFAOYSA-N 320.415 -0.936 30 20 DBED C#CCSCC(=O)NC1CCN(CCS(C)(=O)=O)CC1 896282444 NPEMGOWSSXENPM-UHFFFAOYSA-N 318.464 -0.022 30 20 DBED C#CCN(Cn1c(=O)n(CC=C)c(=O)n(CC=C)c1=O)C(C)C 905741139 CNWCQXRIUKDPSJ-UHFFFAOYSA-N 318.377 -0.155 30 20 DBED C#CCN1CCC[C@@H](NC(=O)CCn2cc[nH]c(=O)c2=O)C1 923582623 JOAAWVMIJDANCR-GFCCVEGCSA-N 304.350 -0.860 30 20 DBED O=C(NCC#CCO)N[C@@H]1CCCN(CCN2CCOCC2)C1 923759433 AMTYPRPNWCEHGD-OAHLLOKOSA-N 324.425 -0.922 30 20 DBED C=CCCOCCNC(=O)C(=O)N1CCOC[C@H]1COC 930294935 AOVQRGYMNCMRNO-GFCCVEGCSA-N 300.355 -0.431 30 20 DBED C=CCNC(=O)CNC(=O)[C@H]1CSCN1C(=O)OCC 935266603 BFDVVSPWVQHIGS-SECBINFHSA-N 301.368 -0.064 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)Cn3nccn3)C2)[nH]1 940062946 RVQYZAYKJQZSKU-LLVKDONJSA-N 313.321 -0.491 30 20 DBED Cc1nccc(C(=O)NC[C@H]2CN(C(=O)[C@@H](C)C#N)CCO2)n1 944603402 ZXEMBXIYHOAQHN-JQWIXIFHSA-N 317.349 -0.098 30 20 DBED C=CC(C)(C)C(=O)N1CCO[C@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 944749445 XINFYPLRIHLROI-MNOVXSKESA-N 324.381 -0.776 30 20 DBED C[C@@H](NC(=O)c1cc(C#N)c[nH]1)[C@@H]1CCCN(C(=O)C(N)=O)C1 945666931 HKXDFHHUKFBFNE-MWLCHTKSSA-N 317.349 -0.271 30 20 DBED CC#CCN1CCC2(CC1)CN(C(=O)Cn1cncn1)CCO2 949241637 JCGYLJDZEAEXRO-UHFFFAOYSA-N 317.393 -0.005 30 20 DBED CN1C(=O)CC[C@@H]1C(=O)NC[C@@H]1CCN1C(=O)C#CC1CC1 951704089 NRNDMFPHQALTSQ-QWHCGFSZSA-N 303.362 -0.262 30 20 DBED C#CCCN1C[C@H](O)[C@H](CNC(=O)c2ccoc2CC(N)=O)C1 958348980 CHYKARDYDVZMOE-YPMHNXCESA-N 319.361 -0.647 30 20 DBED C=CCN1C[C@@H](O)[C@@H](CNC(=O)c2cnc3cccnn23)C1 958468367 XDSXLYZDXYVPKJ-WCQYABFASA-N 301.350 -0.062 30 20 DBED C=CCCN1C[C@H](O)[C@H](CNC(=O)c2ccc(C(N)=O)nc2)C1 958749271 WDKUVYZYIMWTIO-OCCSQVGLSA-N 318.377 -0.221 30 20 DBED C=CCN1C[C@@H]2C(NC(=O)c3ccc(=O)n(CCOC)n3)[C@H]2C1 960929633 LJBIAADGVTYJNN-RYUDHWBXSA-N 318.377 -0.264 30 20 DBED Cc1ccnn1CC(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 963168560 FBBXUXNYKQCXIG-KGLIPLIRSA-N 316.361 -0.707 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(=O)n(C)o1 968908040 FPFOTJRVZYKCDP-MXWKQRLJSA-N 318.333 -0.047 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@]2(CN(CC(=O)NC3CC3)CCO2)C1 972297321 ICVXRKFWDKFTSG-BLLLJJGKSA-N 320.393 -0.272 30 20 DBED CC#CCN1CCO[C@@]2(CCN(C(=O)[C@@H]3CN(C)CCO3)C2)C1 972317256 SVQCOBXJTWRHSD-RDJZCZTQSA-N 321.421 -0.356 30 20 DBED C[C@H](C(=O)N1CC[C@]2(CN(CC#N)CCO2)C1)n1cncn1 972349627 ZYZWKRLNKVSRQD-OCCSQVGLSA-N 304.354 -0.334 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)c3ccn(C)c(=O)c3)C2)C1 972436118 AXGUFUPILXNBRQ-QGZVFWFLSA-N 315.373 -0.065 30 20 DBED C#CCN1C[C@H]2[C@H](CNC(=O)[C@@H]3CCCCS3(=O)=O)[C@H]2C1 978250291 OMKCRZXMJJVTCE-FQUUOJAGSA-N 310.419 -0.119 30 20 DBED C=CCN1CC[C@H](N2CCCN(C(=O)c3nc[nH]n3)CC2)C1=O 982271373 NSJXAIDOCQTZJC-LBPRGKRZSA-N 318.381 -0.261 30 20 DBED C#Cc1cncc(C(=O)NC[C@@H]2CCN(C(=O)CC(N)=O)C2)c1 982568058 KDDXYLMMKKTSAF-LBPRGKRZSA-N 314.345 -0.483 30 20 DBED C#CCN[C@@H]1CCN(C(=O)c2ccc(S(N)(=O)=O)o2)[C@@H]1C 986482170 MGPTZGXWFFSVEW-NXEZZACHSA-N 311.363 -0.247 30 20 DBED C#CCN1CCC[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)[C@@H]1C 994216486 VPAAXJJZMJVJDH-WDEREUQCSA-N 314.349 -0.367 30 20 DBED C[C@H]1[C@H](NC(=O)c2cn(C)c(=O)nc2O)CCCN1CC#N 994417989 VASLJFVEZCJIEL-GXSJLCMTSA-N 305.338 -0.408 30 20 DBED C#Cc1ccc(C(=O)N2CC(CNC(=O)c3cn(C)nn3)C2)nc1 1001715148 OURNSPBZDWABGM-UHFFFAOYSA-N 324.344 -0.307 30 20 DBED COCc1nn(C)cc1C(=O)NCC1CN(C(=O)[C@@H](C)C#N)C1 1002763887 VPASEXDMMHKJGO-JTQLQIEISA-N 319.365 -0.086 30 20 DBED NC(=O)N1CCC[C@H]1C(=O)NCC1CN(C(=O)C#CC2CC2)C1 1002940962 GMJOCWJUMXHCNI-ZDUSSCGKSA-N 318.377 -0.483 30 20 DBED C[C@@H](C#N)C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cnn(C)n1 1004132168 VPJFSTOBUCZTCK-XNDJQWLSSA-N 302.338 -0.164 30 20 DBED C[C@@H]1CCN(C(=O)CC(N)=O)C[C@@H]1NC(=O)c1cc(C#N)c[nH]1 1004675180 VWAMLSMQUIWKDS-SKDRFNHKSA-N 317.349 -0.271 30 20 DBED C=CCN1CCC(N(C)C(=O)[C@@H]2CCS(=O)(=O)N2)CC1 1006425837 LXRFFKVZUQHJJV-LBPRGKRZSA-N 301.412 -0.213 30 20 DBED C#CCN1CCC[C@H](NC(=O)[C@H]2CCc3nnc(O)n3C2)C1 1007686436 KJVCYXFRTGJDTP-RYUDHWBXSA-N 303.366 -0.240 30 20 DBED C=CCN1CC[C@H](N2CC[C@@H](NC(=O)C3=COCCO3)C2)C1=O 1010019516 HGVIEUBRAWYDGI-OLZOCXBDSA-N 321.377 -0.148 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)C(N)=O)[C@H]2C)nc1 1011938774 UGEZUFFPEJQLFB-MWLCHTKSSA-N 300.318 -0.733 30 20 DBED Cc1ccnn1CC(=O)NC1[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]12 1013103335 ATPUPETXRICVHJ-MVWJERBFSA-N 301.350 -0.076 30 20 DBED CC#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CC(=O)NC1=O 1018069699 SROIGIKJPVUQJY-TXEJJXNPSA-N 304.350 -0.763 30 20 DBED Cn1nnc(CN[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)n1 1018731125 NRAXVHJUFDDCGU-JTQLQIEISA-N 300.326 -0.586 30 20 DBED C=CCN1CC[C@H](N[C@H]2C[C@H](NC(=O)Cn3cccn3)C2)C1=O 1019988912 WHUFVEVVSCEOON-IHRRRGAJSA-N 317.393 -0.093 30 20 DBED C=C(Cl)CN1CC[C@@H](CNC(=O)[C@@H]2CCS(=O)(=O)N2)C1 1028990782 QQWFEINBTQXLLM-QWRGUYRKSA-N 321.830 -0.131 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)Cc3cnn(C)c3)C2)C1=O 1030143386 LVWMLNITHHXLSL-AWEZNQCLSA-N 317.393 -0.450 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)C3CN(C(C)=O)C3)C2)C1=O 1030254959 QKXQDPOYEYFZRO-CQSZACIVSA-N 320.393 -0.948 30 20 DBED CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N(C)[C@H]2CCN(CC#N)C2)O1 1033423486 WIZTVLSEXKDONV-RWMBFGLXSA-N 308.382 -0.322 30 20 DBED CN(C(=O)c1cn(C[C@@H]2CCOC2)nn1)[C@H]1CCN(CC#N)C1 1033537390 CGLPHACPQUFINI-STQMWFEESA-N 318.381 -0.016 30 20 DBED C=CCN1CCO[C@@H](CNC(=O)c2c(C)c[nH]c2CC(N)=O)C1 1035518038 CUDBEABCAMDNPO-LBPRGKRZSA-N 320.393 -0.032 30 20 DBED Cn1nnnc1CN1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1c[nH]c(C#N)c1 1037370308 DMKJEBCSBXSXIP-SUZMYJTESA-N 312.337 -0.587 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2[C@H]3C[C@H]2N(CC(=O)N(C)C)C3)nn1 1037613638 OHUHNNAPSUWZNA-ZKYQVNSYSA-N 318.381 -0.645 30 20 DBED CC(=O)N[C@@H](C)C(=O)N1CC[C@@](O)(CNC(=O)C#CC(C)C)C1 1039664478 QTODKHZTPPKMOR-BLLLJJGKSA-N 323.393 -0.750 30 20 DBED C#CCC1(C(=O)NC[C@@]2(O)CCN(C(=O)COC)C2)CCC1 1040060520 WCHUNMHTXBPRSW-INIZCTEOSA-N 308.378 -0.094 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@]1(O)CCN(C(=O)CCC)C1 1040185992 ZHHVYQRFXJYLLW-YOEHRIQHSA-N 321.421 -0.036 30 20 DBED N#Cc1nccnc1N1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCOC2)C1 1040962358 XTNMEVVIPBENJT-RAIGVLPGSA-N 317.349 -0.559 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)[C@H]2C[C@@H]2OCC)C1 1041685525 IPUAXXOSFIEQRW-RYUDHWBXSA-N 312.366 -0.697 30 20 DBED O=C(C#CC1CC1)NCC1(O)CN(C(=O)C2(F)CCOCC2)C1 1042965244 YFWZKTZIAMWQHD-UHFFFAOYSA-N 324.352 -0.392 30 20 DBED N#Cc1cnc(N2C[C@H](O)[C@H](NC(=O)C[C@H]3CCOC3)C2)cn1 1043887202 QNRAVYHLVLIIDE-RTXFEEFZSA-N 317.349 -0.559 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)[C@H]3CCCCO3)C2)nn1 1043892588 APWCAGKGZJTFGZ-FRRDWIJNSA-N 317.349 -0.417 30 20 DBED Cc1nsc(N2C[C@H](O)[C@H](NC(=O)c3cnon3)C2)c1C#N 1044122651 KACBTOPWGAVGBJ-ZJUUUORDSA-N 320.334 -0.314 30 20 DBED N#Cc1nccnc1N1C[C@H](O)[C@H](NC(=O)[C@]2(F)CCOC2)C1 1044426539 MFOOVKIASZYOQW-SUNKGSAMSA-N 321.312 -0.857 30 20 DBED C=CCCCC(=O)N1CC(O)(CNC(=O)[C@H]2CCN(C)C2=O)C1 1045026915 NYVFCCWAMIJRSQ-GFCCVEGCSA-N 323.393 -0.490 30 20 DBED C=C[C@@H](CC)CC(=O)NCC1(O)CN(C(=O)CNC(C)=O)C1 1045064351 PTRCEGKRDSQOOI-LBPRGKRZSA-N 311.382 -0.586 30 20 DBED CCc1nnsc1C(=O)N1CC(O)(CNC(=O)[C@@H](C)C#N)C1 1045555189 OGOPFOSADSOGRO-QMMMGPOBSA-N 323.378 -0.437 30 20 DBED CCN(C)C(C)(C)C(=O)N(C)[C@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1O 1049018991 CARJQXFUXMDXAH-AVGNSLFASA-N 324.425 -0.094 30 20 DBED C=CCCCC(=O)N(C)[C@H]1CN(C(=O)CNC(C)=O)C[C@@H]1O 1049349526 SUCMDSNCYLDOKZ-STQMWFEESA-N 311.382 -0.491 30 20 DBED C#CCCN1CCC2(CC1)CN(C(=O)[C@@H]1CC(=O)NC(=O)N1)C2 1050682846 OMHOOVYPDQVNAI-LBPRGKRZSA-N 318.377 -0.468 30 20 DBED C[C@@H]1[C@@H](NC(=O)[C@H]2CNC(=O)N2)CCN1c1nccnc1C#N 1050952521 SKNAZNRRGOJPNH-WCABBAIRSA-N 315.337 -0.887 30 20 DBED CCCCN1CCOC[C@H]1C(=O)NC[C@H]1COCCN1CC#N 1051043141 JLLRNLIEDHUPMD-GJZGRUSLSA-N 324.425 -0.172 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)c3cnc4n3CCOC4)CO2)C1 1053835709 PIDXWTWHMLECNS-NSHDSACASA-N 317.349 -0.490 30 20 DBED C=CCN1CC2(C[C@H](NC(=O)c3ccn4nnnc4c3)CO2)C1 1053890885 LMAATNPGCNOGNA-LBPRGKRZSA-N 314.349 -0.117 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2ccc(-n3cnnn3)cn2)C[C@@H]1C 1054931229 ZSHIZTSOTOECIP-SMDDNHRTSA-N 311.349 -0.259 30 20 DBED C=CCCC(=O)N[C@@]1(CO)CCCN(C(=O)[C@@H]2CNC(=O)N2)C1 1055824444 UKQABQYZLXUDFO-NHYWBVRUSA-N 324.381 -0.896 30 20 DBED C=CCCCC(=O)NCCN(CCO)C(=O)CCn1cncn1 1056993640 QHGZESWDGXIBAT-UHFFFAOYSA-N 323.397 -0.038 30 20 DBED CN(c1ccc(C#N)nc1)[C@H]1CCN(C(=O)c2nnn(C)n2)C1 1057002182 JZDJQXNXLLYIBC-LBPRGKRZSA-N 312.337 -0.172 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)C[C@@H]1COC(=O)C1 1057171403 ZMARLHDYRCYOPQ-LBPRGKRZSA-N 312.366 -0.157 30 20 DBED CCn1nccc1C(=O)N(CCO)CCNC(=O)[C@H](C)C#N 1057422174 WXOHMJBCCAPBID-LLVKDONJSA-N 307.354 -0.387 30 20 DBED CC(C)[C@@H](O)C(=O)NCCN(CCO)C(=O)C#CC(C)(C)C 1057539091 NLVDAASNKQVPAQ-CQSZACIVSA-N 312.410 -0.010 30 20 DBED C=CCCOCC(=O)N(CCO)CCNC(=O)Cc1ncc[nH]1 1057920700 ZIBZDEHDVVCCCF-UHFFFAOYSA-N 324.381 -0.518 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)c1cncnc1O 1057925400 AJVJNNAVDDMWHT-UHFFFAOYSA-N 308.338 -0.301 30 20 DBED CC(C)(C)C#CC(=O)NCCN(CCO)C(=O)c1cnn[nH]1 1058057824 GUDFNABXRCDIPT-UHFFFAOYSA-N 307.354 -0.595 30 20 DBED N#Cc1nccnc1N1CC[C@@H](NC(=O)[C@H]2CCCNC2=O)C1 1058467429 LQXYGGIRXOLKQY-MNOVXSKESA-N 314.349 -0.431 30 20 DBED COCC1(C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N)CCC1 1058661189 QRCDACKJAPOXQZ-LBPRGKRZSA-N 311.382 -0.100 30 20 DBED CC(C)C#CC(=O)NCC[C@H]1CCN(C(=O)CNC(N)=O)C1 1059117690 ZFOUGXDLYMXAPZ-LBPRGKRZSA-N 308.382 -0.331 30 20 DBED N#Cc1cnc(N[C@H]2C[C@@H](NC(=O)[C@@H]3CCNC3=O)C2)cn1 1059781493 AITSDYAHMSSBOA-WCABBAIRSA-N 300.322 -0.457 30 20 DBED C=CCCC(=O)NC[C@H]1COCCN1C(=O)Cn1cncn1 1061409773 DVMXIIVKSQQTIV-LBPRGKRZSA-N 307.354 -0.412 30 20 DBED CC(=O)N[C@H](C)C(=O)N1CCOC[C@@H]1CNC(=O)C#CC1CC1 1061570305 YBFHMCDSHKXZAQ-RISCZKNCSA-N 321.377 -0.732 30 20 DBED C=CCCOCC(=O)NC[C@H]1COCCN1C(=O)c1cnn[nH]1 1061669210 ZJUFNTRISJBRDD-NSHDSACASA-N 323.353 -0.645 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)c1cccc(O)n1 1061845219 FKHJXXOXUUSJAE-QWRGUYRKSA-N 318.333 -0.096 30 20 DBED Cc1nc(CC(=O)N2CCOC[C@H]2CNC(=O)[C@H](C)C#N)n[nH]1 1061847083 ILRMGYMKJUKYID-MWLCHTKSSA-N 320.353 -0.841 30 20 DBED C=CCCC(=O)N1CCOC[C@H]1CNC(=O)Cn1cncn1 1061915126 VPHDQQLQLGFYAR-GFCCVEGCSA-N 307.354 -0.412 30 20 DBED N#Cc1nccnc1N1C[C@@H]2C[C@H]1CN2C(=O)Cn1cncn1 1062490523 HHOUBMIZSIHARB-QWRGUYRKSA-N 310.321 -0.571 30 20 DBED N#Cc1ccc(N2CC[C@H]3CN(C(=O)CC(N)=O)CC[C@H]32)nn1 1064000176 RVRRFDXLPQTVSQ-CMPLNLGQSA-N 314.349 -0.349 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(C(=O)[C@@H]2CCOC2)CCO1 1064935663 VVCVSFXRSVGVOA-ZIAGYGMSSA-N 306.362 -0.220 30 20 DBED Cc1cc(C(=O)N2CCO[C@@H](CNC(=O)[C@H](C)C#N)C2)ncn1 1065050778 ILDZDDBVADONCU-PWSUYJOCSA-N 317.349 -0.098 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(C(=O)c2nc[nH]n2)CCO1 1065447563 QKXQTJXCPGESRL-LLVKDONJSA-N 303.322 -0.825 30 20 DBED N#Cc1ccc(NC[C@H]2CN(C(=O)c3nc[nH]n3)CCO2)nn1 1066638180 OGHKKMSDOXSUDY-JTQLQIEISA-N 314.309 -0.581 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](CNC(=O)c3ccc[nH]3)C2)nn1 1067655839 GUEJHUPGEQQSSV-ZWNOBZJWSA-N 312.333 -0.097 30 20 DBED C=C(C)C[C@H](C)C(=O)NC[C@@H]1CCC2(CN(C(=O)C(N)=O)C2)O1 1068609297 VFSMTNSGGNAOLY-RYUDHWBXSA-N 323.393 -0.050 30 20 DBED C=C[C@H](CC)CC(=O)N1CC2(CC[C@H](CNC(=O)C(N)=O)O2)C1 1068617611 CLSTXSKINWPLBM-VXGBXAGGSA-N 323.393 -0.050 30 20 DBED C=CCCC(=O)N[C@@H]1COC2(C1)CN(C(=O)[C@@H]1COC(=O)N1)C2 1068753026 KXXSEIOXLRBHCB-QWRGUYRKSA-N 323.349 -0.453 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2nonc2C)C1 1070108371 ZSEDMLJXJVJHGY-MNOVXSKESA-N 301.310 -0.742 30 20 DBED N#Cc1cc(C(=O)N2CCC(=O)NCCN(CCO)CC2)c[nH]1 1070955679 YEEFZEDHPWOLIC-UHFFFAOYSA-N 319.365 -0.857 30 20 DBED C#CCCN1CCNC(=O)CCN(C(=O)[C@@H]2CCN(C)C2)CC1 1071020404 APVYAMJKQHZIIW-OAHLLOKOSA-N 320.437 -0.388 30 20 DBED N#CCSCC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CCNC2=O)C1 1071068002 QIECBSVIYNTMQH-GHMZBOCLSA-N 324.406 -0.514 30 20 DBED C#CCCN1CCCO[C@@H](CNC(=O)[C@H]2CCC(=O)NC2)C1 1073670113 DGQUYABQCBAPSK-KBPBESRZSA-N 307.394 -0.257 30 20 DBED C=CCN1CCO[C@H]2CCN(C(=O)Cn3cnnc3O)C[C@H]21 1074212519 QOZPSFVHKUVQHK-NEPJUHHUSA-N 307.354 -0.529 30 20 DBED CC#CCN1CCO[C@@H]2CCN(C(=O)Cc3n[nH]c(C)n3)C[C@H]21 1074238026 JEEBUWULVFXZQG-ZIAGYGMSSA-N 317.393 -0.019 30 20 DBED C#CCN[C@H]1CCN(C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)[C@H]1C 1074875304 BDTYSPFLMMNVKB-XDQVBPFNSA-N 307.394 -0.166 30 20 DBED Cn1cc(-c2oncc2C(=O)N[C@@H]2CN(CC#N)C[C@H]2O)cn1 1077440741 TUUKKHDZLFQGGI-VXGBXAGGSA-N 316.321 -0.626 30 20 DBED CCN(C(=O)[C@H]1COC(=O)N1)C1CN(C(=O)C#CC(C)C)C1 1079701225 AEBMZQPPVPAOCU-GFCCVEGCSA-N 307.350 -0.187 30 20 DBED C=CCCn1cc(C(=O)N2CCC(CO)(NC(C)=O)CC2)nn1 1080656733 WAMKVASRWLSZBK-UHFFFAOYSA-N 321.381 -0.043 30 20 DBED CC(C)[C@@H](O)C(=O)NC1(CO)CCN(C(=O)C#CC2CC2)CC1 1080843049 OSZCWDQTAOEMOU-OAHLLOKOSA-N 322.405 -0.114 30 20 DBED C#CCOCCC(=O)N1C[C@H](CNC(=O)C2CC=CC2)[C@@H](O)C1 1081358503 YZZJKEOZTJEDDH-GJZGRUSLSA-N 320.389 -0.072 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(C(=O)c2cnco2)C[C@@H]1O 1081488616 KAFOBXQTYDLDKX-NEPJUHHUSA-N 321.333 -0.736 30 20 DBED COCC1(C(=O)NC[C@H]2CN(C(=O)C#CC3CC3)C[C@@H]2O)CC1 1081597963 LTGSEKJRXDTJFN-KBPBESRZSA-N 320.389 -0.238 30 20 DBED CN(C)CCC(=O)NC[C@H]1CN(C(=O)C#CC(C)(C)C)C[C@@H]1O 1081732112 CTEHPNDSNGOOPC-KBPBESRZSA-N 323.437 -0.077 30 20 DBED C[C@H](NC(N)=O)C(=O)N1CCCC[C@H]1CNC(=O)[C@H](C)C#N 1082028701 SKBLHGIHUHDKCW-VWYCJHECSA-N 309.370 -0.300 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2nnc(O)c3ccccc23)C1 1083982003 VPVAPLZHNRYAES-NEPJUHHUSA-N 313.317 -0.366 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)[C@@H]2C1 1084658197 CKIGCKIAEBPTJW-APIJFGDWSA-N 319.405 -0.212 30 20 DBED C#CCN1CCC(C(=O)NC[C@H]2C[C@@H](NCC(N)=O)C2)CC1 1086278266 OODHTWFBIRFUGT-XBXGTLAGSA-N 306.410 -0.699 30 20 DBED C#CCN1CC[C@H](NC(=O)CN2CCNC(=O)C2)CC(C)(C)C1 1089456364 HSFLLYBCPDWENT-AWEZNQCLSA-N 320.437 -0.342 30 20 DBED C#CCN1C[C@@H]2[C@@H]3CC[C@@H](CN3C(=O)CS(C)(=O)=O)[C@H]2C1 1089782126 VNMJPPNXRGRBII-CRWXNKLISA-N 310.419 -0.167 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2cnc3[nH]cnc3c2)[C@H](O)C1 1090300156 JLPYHXVHKZHHSH-ZYHUDNBSSA-N 300.322 -0.354 30 20 DBED CC(=O)Nc1c[nH]c(C)c1C(=O)N[C@@H]1CCN(CC#N)C[C@@H]1O 1090377671 LPHZNUNPCPPYTM-YPMHNXCESA-N 319.365 -0.030 30 20 DBED CO[C@@H](C)CCC(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1O 1090403419 UNWJXZOYCSZSDK-QJPTWQEYSA-N 319.365 -0.171 30 20 DBED Cc1nnc(O)c(C(=O)N[C@H]2CCN(CC#N)C[C@H]2O)c1C 1090482159 KWABGGZCRBANLA-WDEREUQCSA-N 305.338 -0.512 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cccc(NC(N)=O)c2)[C@@H](O)C1 1090799966 YFUUUEYYMKQRSA-KBPBESRZSA-N 316.361 -0.025 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@@H]1O 1091092852 OKAFYGKSTZMXEN-DVOMOZLQSA-N 316.361 -0.054 30 20 DBED C[C@@H]1[C@@H](NC(=O)CNC(N)=O)CCN1c1ccncc1C#N 1091923075 RQCDLXRENGIFMJ-KOLCDFICSA-N 302.338 -0.295 30 20 DBED C#CCOCCC(=O)N[C@H]1CCN(c2cc(F)ncn2)C[C@H]1O 1092164506 NCTNQXOLJFNCBU-NWDGAFQWSA-N 322.340 -0.289 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1[C@@H]2CN(c3ccc(C#N)nn3)C[C@@H]21 1093265532 HKTCEQDKDMNOOU-ATCWAGBWSA-N 324.344 -0.961 30 20 DBED Cc1nnc2ccc(C(=O)NCCN=c3cc[nH]c(C#N)n3)cn12 1093727680 RMDPGHYLHCHBFV-UHFFFAOYSA-N 322.332 -0.037 30 20 DBED C[C@@H](C(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1)n1cccn1 1094705016 HCBMHGNNRWWPRP-NWDGAFQWSA-N 316.365 -0.631 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)c3cnsn3)CC2=O)C1 1094707736 NVKMWDSXGCPFRW-VIFPVBQESA-N 307.379 -0.261 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1CC(=O)N(C2CN(CC)C2)C1 1094746133 RQVNIWCQKOEESA-ZFWWWQNUSA-N 318.421 -0.495 30 20 DBED CC(=O)N[C@H](C)C(=O)NC1CCN(c2ccc(C#N)nn2)CC1 1095387410 CTNCOSWLGTZXLH-SNVBAGLBSA-N 316.365 -0.042 30 20 DBED CCNC(=O)CC(=O)N[C@@H]1CCN(c2cnc(C#N)cn2)C1 1096360187 KBNSLVGRPJLOLV-SNVBAGLBSA-N 302.338 -0.431 30 20 DBED CNS(=O)(=O)CC(=O)N[C@H]1C[C@@H](Nc2ccc(C#N)cn2)C1 1097186408 BOIPSZGRIBTLOP-PHIMTYICSA-N 323.378 -0.438 30 20 DBED Cc1cc(C#N)nc(N[C@H](C)CNC(=O)CCNC(N)=O)n1 1097855902 XMCNSNVPKVVIBC-SECBINFHSA-N 305.342 -0.368 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCN(CC=C(C)C)C[C@@H]1O 1099788539 GLZPJRNTTICEDG-KGLIPLIRSA-N 307.394 -0.357 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CCN(CCn2cncn2)C[C@H]1O 1099826363 KFPTYIDLZJYVFL-ZIAGYGMSSA-N 303.366 -0.757 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1CCN(CC(=O)N2CCC2)C[C@@H]1O 1099944028 IPTBONQLNYKOMD-OLZOCXBDSA-N 309.410 -0.018 30 20 DBED COCC#CCN1CC[C@H](NC(=O)CCCN(C)C)[C@H](O)C1 1099973332 BEKZGTPMCGEYCH-LSDHHAIUSA-N 311.426 -0.471 30 20 DBED CCN(CCNC(=O)c1nnn(C)n1)c1ncccc1C#N 1100679272 PTVHKVWIHGMLKJ-UHFFFAOYSA-N 300.326 -0.267 30 20 DBED CNC(=O)CC(=O)NC[C@H]1CCCN1c1cnc(C#N)cn1 1100815600 CYJSPLIVNKEWJE-LLVKDONJSA-N 302.338 -0.431 30 20 DBED CN(C)C(=O)CC(=O)N(C)[C@@H]1CCN(c2ccnc(C#N)n2)C1 1102764816 IKBLFQIYDCWGKE-LLVKDONJSA-N 316.365 -0.136 30 20 DBED N#Cc1cncc(N2CCC[C@H](CCNC(=O)CC(N)=O)C2)n1 1102905893 OKQFMSYBMPEDKW-LLVKDONJSA-N 316.365 -0.054 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)c2ncc[nH]2)C1 1102955663 ZQYKBIVXBNDTRD-CHWSQXEVSA-N 317.393 -0.153 30 20 DBED CC[C@H](CNC(=O)Cn1nccn1)N=c1cc[nH]c(C#N)n1 1103214304 NIGLMBPVNTZOID-SNVBAGLBSA-N 300.326 -0.631 30 20 DBED C[C@H](CN=c1cc[nH]cc1C#N)CNC(=O)CCNC(N)=O 1103968117 XSADYTLSOCHWAA-SNVBAGLBSA-N 304.354 -0.402 30 20 DBED C[C@@H](CN=c1cc[nH]cc1C#N)CNC(=O)CCn1cnnn1 1104048005 YXWZFDCADFENQI-NSHDSACASA-N 314.353 -0.384 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)[C@]1(C)CNC(=O)C1 1104139392 FUWLWRVWZHRNJO-BMIGLBTASA-N 316.365 -0.539 30 20 DBED C[C@H](CNC(=O)[C@H]1CC(=O)N(C)C1)CNc1nccnc1C#N 1104254762 NFWXKLIMABGIKL-QWRGUYRKSA-N 316.365 -0.009 30 20 DBED CNC(=O)CCCC(=O)N(C)[C@H](C)CN=c1cc[nH]c(C#N)n1 1104528373 WCQLJNRDROLNKD-LLVKDONJSA-N 318.381 -0.055 30 20 DBED C=CCCNCc1cn(C2CN(C(=O)[C@H](COC)OC)C2)nn1 1105324087 RBVGUZZYEUWPSQ-AWEZNQCLSA-N 323.397 -0.012 30 20 DBED Cc1cc(C(=O)NC[C@@H](O)CNc2ccc(C#N)nn2)nn1C 1105733084 HJQTZQXAZRYIRQ-NSHDSACASA-N 315.337 -0.407 30 20 DBED CC(=O)NC(C)(C)C(=O)NC[C@@H](O)CNc1ncccc1C#N 1105898730 QPCLPKOJKGEWPI-LBPRGKRZSA-N 319.365 -0.243 30 20 DBED Cc1cc(C)c(C(=O)NC[C@H](O)CN=c2cc[nH]c(C#N)n2)[nH]1 1106164968 AACSDOGFVUVEEA-LLVKDONJSA-N 314.349 -0.082 30 20 DBED CC(=O)NC(C)(C)C(=O)N[C@@H](C)CCN=c1cc[nH]c(C#N)n1 1106377371 HICIIHAHQKHDMI-JTQLQIEISA-N 318.381 -0.008 30 20 DBED CCN(CCNc1cnc(C#N)cn1)C(=O)[C@H]1CNC(=O)N1 1106928101 FENZHYDDVUIFQH-SNVBAGLBSA-N 303.326 -0.710 30 20 DBED C=CCNC(=O)CN1CC(n2cc(CNC(=O)CCC)nn2)C1 1107114677 CIDAFAKJHCOPDT-UHFFFAOYSA-N 320.397 -0.147 30 20 DBED CNC(=O)NCC(=O)NC/C=C\CN=c1cc(C)[nH]cc1C#N 1107572292 WWBNBBZBHJPFTI-ARJAWSKDSA-N 316.365 -0.303 30 20 DBED C=CCNC(=O)CN1CCO[C@@](C)(CNC(=O)CCOC)C1 1107666565 AKPMCXPTKHQFJC-HNNXBMFYSA-N 313.398 -0.468 30 20 DBED COCC#CCN1CCO[C@](C)(CNC(=O)c2ncn(C)n2)C1 1107920117 MLYSCMZXVBWVKP-OAHLLOKOSA-N 321.381 -0.714 30 20 DBED C[C@H](CNc1cncc(C#N)n1)NC(=O)CCS(C)(=O)=O 1108198734 YMDVZGAODWSSTQ-SECBINFHSA-N 311.367 -0.300 30 20 DBED CCS(=O)(=O)CC(=O)N[C@@H](C)CNc1nccnc1C#N 1108410379 HBQZSGBVEISDLI-VIFPVBQESA-N 311.367 -0.300 30 20 DBED C[C@@H](CNc1cnc(C#N)cn1)NC(=O)C1CC(=O)NC(=O)C1 1108441463 OSPULJWYGXNNQK-QMMMGPOBSA-N 316.321 -0.682 30 20 DBED C[C@@H](CNc1nccnc1C#N)NC(=O)C[C@@H]1CCC(=O)N1 1108448024 BQWRZRYYXTWQDY-UWVGGRQHSA-N 302.338 -0.066 30 20 DBED C=C(C)CN1CC(N2C[C@H](NC(=O)[C@@H](C)NC(C)=O)CC2=O)C1 1108500791 ZVUQGGMUUDVOLU-DGCLKSJQSA-N 322.409 -0.512 30 20 DBED CC#CCN1CC(N2C[C@H](NC(=O)CN(C)CCC)CC2=O)C1 1108586669 ACKBRPFNAQAVGU-CQSZACIVSA-N 320.437 -0.247 30 20 DBED C[C@H](CN(C)c1nccnc1C#N)NC(=O)[C@H]1CN(C)CCO1 1108906128 XJZTYRVUKZICGE-DGCLKSJQSA-N 318.381 -0.380 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CN(C)c1cnc(F)cn1 1108941202 RIGURZOECZMPQL-JTQLQIEISA-N 307.329 -0.304 30 20 DBED C[C@H](CN(C)c1cncc(C#N)n1)NC(=O)C1(C(N)=O)CC1 1109217899 UHRNSVFBYFEYSF-SECBINFHSA-N 302.338 -0.445 30 20 DBED C#CCOCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2[C@@H](C)C(=O)NC 1109270689 RGVIHSNRFLIHET-CRWXNKLISA-N 307.394 -0.118 30 20 DBED CS(=O)(=O)CC(=O)N[C@H]1[C@H]2C[C@H]1N(c1ccncc1C#N)C2 1109693361 SNAAVECMVNMHJF-BHYNMZESSA-N 320.374 -0.309 30 20 DBED N#Cc1cncc(NC[C@H](NC(=O)CNC(N)=O)C2CC2)n1 1109753743 IJMFMBRBVNDROE-JTQLQIEISA-N 303.326 -0.677 30 20 DBED C[C@H](C#N)C(=O)N[C@@H](CNc1ccc2nnnn2n1)C1CC1 1109795487 FTRLRZGBTBNNCU-SCZZXKLOSA-N 300.326 -0.014 30 20 DBED C[C@@]1(CNc2cncc(C#N)n2)CCN(C(=O)CNC(N)=O)C1 1110829234 UFEJYZJERACELB-AWEZNQCLSA-N 317.353 -0.333 30 20 DBED CCOCC(=O)NC[C@@H]1COCCN1c1cnc(C#N)cn1 1111650963 ILMQQPRDEGUITO-GFCCVEGCSA-N 305.338 -0.294 30 20 DBED COCCC(=O)NC[C@@H]1COCCN1c1cncc(C#N)n1 1111651297 QENABFCCPSGRBX-GFCCVEGCSA-N 305.338 -0.294 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)[C@H](C)NC(=O)CC)CC1 1112880056 LSXUYELWQJGNRW-STQMWFEESA-N 322.409 -0.817 30 20 DBED Cc1cc(N(C)[C@@H](C)CNC(=O)Cn2cnnn2)c(C#N)cn1 1113487331 MHWKILINAMWCMS-NSHDSACASA-N 314.353 -0.111 30 20 DBED CO[C@H](C(=O)N1CCN(CC(=O)NCC#N)CC1)C1CCCC1 1113587881 OVUVIQCPMSISEV-HNNXBMFYSA-N 322.409 -0.024 30 20 DBED COCC#CCN1CCN(C(=O)c2cncc(C(N)=O)c2)CC1 1113637796 ZNFVPJLGWKCTKY-UHFFFAOYSA-N 316.361 -0.412 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)Cn3cncc3C)[C@H]2C1 1114562453 HOLSTMYRUFLEEG-FOLVSLTJSA-N 302.378 -0.112 30 20 DBED N#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)CC3=CCOCC3)[C@H]2C1 1114786029 ZPURBFLJONNAIN-VIKVFOODSA-N 318.377 -0.591 30 20 DBED Cc1cc(=N[C@H](C)CN(C)C(=O)CS(C)(=O)=O)c(C#N)c[nH]1 1115632215 IRBCGVMLDVCFKT-LLVKDONJSA-N 324.406 -0.013 30 20 DBED N#Cc1ccc(NC(=O)C(=O)NCC(=O)N2CCCC2)nc1 1117709097 SXZHUMXFCDQATO-UHFFFAOYSA-N 301.306 -0.370 30 20 DBED CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)CCO1 1118185260 XMTXOOBYTLQSEI-IUODEOHRSA-N 309.366 -0.109 30 20 DBED C#CCNC(=O)C1CCN(C(=O)C(=O)N[C@@H]2CO[C@H](C)C2)CC1 1118232880 VQVQUOJKIIQYMS-YPMHNXCESA-N 321.377 -0.732 30 20 DBED C=CCOCCNC(=O)C(=O)N(CC)[C@H](C)CS(C)(=O)=O 1118444077 ZQIGTFPUTSIXNM-LLVKDONJSA-N 320.411 -0.413 30 20 DBED N#Cc1cccnc1N[C@@H](CO)CNC(=O)c1nccnc1N 1121228735 MGBBOFBIWDJNBE-SNVBAGLBSA-N 313.321 -0.472 30 20 DBED CC(C)(C)C(=O)C(=O)NC[C@H](CO)Nc1cncc(C#N)n1 1121228783 NSHOZMDKTIAYKH-SNVBAGLBSA-N 305.338 -0.148 30 20 DBED COc1nc(C(=O)NC[C@@H](CO)Nc2cncc(C#N)n2)co1 1122286076 IUBDXKWMWUQWBX-VIFPVBQESA-N 318.293 -0.452 30 20 DBED N#Cc1cnc(N[C@@H](CO)CNC(=O)C2(C(N)=O)CC2)c(F)c1 1122450712 AATKRRPXXPQTHX-SECBINFHSA-N 321.312 -0.753 30 20 DBED CNC(=O)NCC(=O)N1C[C@H](N=c2cc[nH]cc2C#N)C[C@@H]1C 1123318553 ICJZQWOVDJZUJR-CMPLNLGQSA-N 316.365 -0.295 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CCCN(c2ccnc(C#N)n2)[C@@H]1C 1123514147 OLLXICGZZXVHJL-ZYHUDNBSSA-N 316.365 -0.042 30 20 DBED C#CCOCCC(=O)N(C)C[C@@H](O)CN=c1cc[nH]cc1C#N 1124519130 IQWVTULTULPSGA-AWEZNQCLSA-N 316.361 -0.354 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)[C@H]1C[C@H]1C(=O)OC 1124662700 NPUSHCYCPKRJGR-NWDGAFQWSA-N 324.381 -0.737 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)[C@H](C)n1cncn1 1125917669 GBRFKVIARZDWII-ZDUSSCGKSA-N 320.397 -0.255 30 20 DBED C=C(C)CN(CC)C(=O)[C@H](C)NCCNC(=O)CC(=O)NC 1126158605 GCLGTSDBXCOEMP-LBPRGKRZSA-N 312.414 -0.359 30 20 DBED O=C1N[C@@H](C(=O)NCCNCC#Cc2ccc(F)cc2)CO1 1126548523 NDRMPMFSUCAHNG-CYBMUJFWSA-N 305.309 -0.009 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1nnn(C(C)(C)C)n1 1127765966 RCJNXMHWRTYXLP-UHFFFAOYSA-N 309.374 -0.950 30 20 DBED C#CCCNCc1ccncc1O[C@H]1CCN(C(=O)C(N)=O)C1 1127892313 IWARPGIXUWXMJU-ZDUSSCGKSA-N 316.361 -0.341 30 20 DBED C#CCCN[C@@H]1CN(C(=O)[C@H](COC)OC)C[C@@H]1n1ccnn1 1130002589 JIENINGVMPXCKQ-RDBSUJKOSA-N 321.381 -0.696 30 20 DBED C#CCN1C[C@@H](OC)C[C@H]1c1n[nH]c(CNC(=O)COC)n1 1130258721 YECWTDRVVZVGAY-QWRGUYRKSA-N 307.354 -0.538 30 20 DBED COCC#CCNCCNC(=O)c1cnc2ccccn2c1=O 1130352114 RXGGPLUCOCMZRI-UHFFFAOYSA-N 314.345 -0.336 30 20 DBED C#CCN[C@@H]1CN(C(=O)CNC(=O)CC)C[C@H]1c1cncn1C 1130944118 WFBCBCOMFAJGOI-CHWSQXEVSA-N 317.393 -0.537 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@@H](OC)c1cnn(C)c1 1131873600 GAGVNNYVMSRBLA-ZDUSSCGKSA-N 309.370 -0.884 30 20 DBED C#CCNC(=O)CN1C[C@H](NC(=O)c2nc[nH]n2)CC[C@H]1C 1132369054 TUCWWHGANKVJFL-GHMZBOCLSA-N 304.354 -0.863 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2cnon2)CC[C@H]1C 1132369527 YLQQKDSHTGHLFA-MNOVXSKESA-N 305.338 -0.598 30 20 DBED C#CCCN1C[C@H](NC(=O)CS(=O)(=O)NC)CC[C@H]1C 1132494345 RKLWKAZWIARRBL-VXGBXAGGSA-N 301.412 -0.472 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)[C@@H](CC)NC(C)=O 1134178801 QYNOSGHJLDDPRA-CQSZACIVSA-N 324.425 -0.193 30 20 DBED C=CCNC(=O)NC(=O)CN1CCC2(C1)CN(C(=O)COC)C2 1146856429 QKCWHXFONIKLPK-UHFFFAOYSA-N 324.381 -0.821 30 20 DBED C#CCCN1CCC2(C1)CN(C(=O)[C@@H](C)NC(=O)COC)C2 1147610490 GPMNWIMULVULDV-CYBMUJFWSA-N 307.394 -0.305 30 20 DBED C#Cc1ccc(C(=O)NCCNCC(=O)NCCCOC)cn1 1148382896 JMGHSLSIOLIMBB-UHFFFAOYSA-N 318.377 -0.465 30 20 DBED C[C@H]1OCC[C@H]1C(=O)N1CC2(CCN(CC(=O)NCC#N)C2)C1 1148488188 OALCRSRMXRVNOK-CHWSQXEVSA-N 320.393 -0.415 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)CN2CCCNC2=O)C1 1149946931 QOTMCABWHQQQQM-ZDUSSCGKSA-N 308.382 -0.758 30 20 DBED COC[C@]1(C(=O)NC[C@@H]2CN(CC#N)CCCO2)CCOC1 1150036661 QIWWNAOVGVJMJX-UKRRQHHQSA-N 311.382 -0.230 30 20 DBED C#CCCN1CCCO[C@H](CNC(=O)CCc2cnn(C)n2)C1 1150323460 AWDRZCSAXYAKOM-OAHLLOKOSA-N 319.409 -0.022 30 20 DBED Cn1cnnc1COCC(=O)NC[C@@H]1CN(CC#N)CCCO1 1150541749 RDOCLLNWYYENCW-GFCCVEGCSA-N 322.369 -0.938 30 20 DBED N#CCNC(=O)CNCCNC(=O)[C@H]1Cc2cccc(F)c2O1 1151663356 GKKASOUHTLOIBV-GFCCVEGCSA-N 320.324 -0.525 30 20 DBED C=CCO[C@@H](C)C(=O)NCCN[C@H](C)C(=O)NC(=O)NC 1153161695 ZXXXISKTZOAEIP-ZJUUUORDSA-N 300.359 -0.873 30 20 DBED C#CCNC(=O)CC(=O)NCCCNCc1ccnc(OC)c1 1156857290 LKTBTJNYYSDADS-UHFFFAOYSA-N 318.377 -0.174 30 20 DBED C#CCCCC(=O)NCCCNCc1nc(CC(=O)NC)no1 1157183045 MRXAXJFITXVRSG-UHFFFAOYSA-N 321.381 -0.243 30 20 DBED N#CCNC(=O)CNCCCNC(=O)c1cnc2[nH]ncc2c1 1160684826 PHQMXGACNBGADO-UHFFFAOYSA-N 315.337 -0.693 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)[C@H](C)S(C)(=O)=O 1161095336 SMBNYBJMMJLHSI-QWRGUYRKSA-N 319.427 -0.794 30 20 DBED COCC1(CNC(=O)[C@@H]2CCNC2=O)CCN(CC#N)CC1 1162400824 IWNUFTFTJBYPPS-GFCCVEGCSA-N 308.382 -0.509 30 20 DBED Cc1ncccc1CC(=O)NCCCNCC(=O)NCC#N 1166585219 COJMQUXLZOCZGR-UHFFFAOYSA-N 303.366 -0.332 30 20 DBED C=CCOCCNCCCNC(=O)[C@@H]1CN(C(C)=O)CCO1 1174987250 ATZREADYORVQNO-AWEZNQCLSA-N 313.398 -0.468 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2cc(CC)[nH]n2)[C@H]1C 1178144197 RIJCPNUSTHWNMX-AAEUAGOBSA-N 317.393 -0.086 30 20 DBED CC#CCNC[C@]1(C)CN(C(=O)CN2CCOCC2=O)C[C@H]1C 1181746904 ZMPSAADBRCFTLX-RHSMWYFYSA-N 321.421 -0.057 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](CNCCCO)[C@@H](C)C1 1184241567 MXKCVMRWRFRTEU-KBPBESRZSA-N 309.410 -0.418 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@H]2CN(Cc3nc(O)n[nH]3)C[C@H]21 1187882229 LHKYGJJESVWCEI-GRYCIOLGSA-N 319.365 -0.419 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2ccnn2C)C1 1189214463 HZQNBWOSJVQDNN-GFCCVEGCSA-N 305.382 -0.131 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)C[C@@H]2CCOC2)C1 1189489328 IXTNPOUPRCZZCN-KBPBESRZSA-N 307.394 -0.305 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(CC(=O)N(C)C(C)C)C[C@H]1O 1192752031 RXUGDFNBWGCLTD-ZIAGYGMSSA-N 309.410 -0.326 30 20 DBED C[C@H](CC(F)F)C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1O 1194788692 JALJAOSLSHANRQ-OPRDCNLKSA-N 318.324 -0.921 30 20 DBED COCC#CCN1CCCN(C(=O)CCn2cncn2)CC1 1194842521 CDXLNXAIJAVKFR-UHFFFAOYSA-N 305.382 -0.148 30 20 DBED CCC[C@H](C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1O)C(C)C 1196519326 LSWNNJYYMDVPJT-BFHYXJOUSA-N 324.425 -0.140 30 20 DBED C=CCCCN1C[C@@H](O)[C@H](NC(=O)C(C)(C)S(C)(=O)=O)C1 1196575719 BLOLSSUNIDOJLA-VXGBXAGGSA-N 318.439 -0.063 30 20 DBED C=CCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCN(C(C)=O)C2)C1 1198200382 QXPPFIHAWFJHDB-RBSFLKMASA-N 309.410 -0.018 30 20 DBED C=CCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCS2(=O)=O)C1 1198849160 ZTMQIUQKCLXECA-UPJWGTAASA-N 316.423 -0.309 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)[C@H]2C[C@H]2C(=O)OC)CC1 1199666795 BPMBUFVSRYAZGR-QWHCGFSZSA-N 321.377 -0.875 30 20 DBED CNC(=O)CNC[C@@H]1CN(C(=O)CSCC#N)CCCO1 1199914746 VESKNVIYATUDBO-LLVKDONJSA-N 314.411 -0.804 30 20 DBED C#CCCNC[C@H]1CN(C(=O)[C@H]2CCN(C)C2=O)CCCO1 1201206236 WPPQBFVWZSWBSC-KBPBESRZSA-N 307.394 -0.305 30 20 DBED C[C@@H]1COCC[C@H]1C(=O)N1CCC(NCC(=O)NCC#N)CC1 1202380121 QBTPMQSQJDWLEP-TZMCWYRMSA-N 322.409 -0.121 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)[C@@H]2CCCOC2)[C@H](C)C1 1206531464 DOGZIGDVXWGEOH-MGPQQGTHSA-N 307.394 -0.401 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(Cc2ccn(C)n2)C[C@H]1OC 1212032267 SIRMTZYAARTJPG-ZIAGYGMSSA-N 308.382 -0.062 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)/C=C/C2CC2)[C@H](OC)C1 1212090431 TWFYELUPHPGWKN-ZXNCYSSHSA-N 319.405 -0.094 30 20 DBED C=C(C)CN1C[C@@H](NC(=O)CCS(C)(=O)=O)[C@H](OC)C1 1212474820 VILIBJVRODEGLV-VXGBXAGGSA-N 304.412 -0.187 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H]2CN(CCNC(=O)C3CC3)C[C@@H]21 1217532488 KREZLYDRNNRLQN-KWCYVHTRSA-N 320.393 -0.416 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H](F)CC 1218430283 QVPRZJUIJPKQRZ-RWMBFGLXSA-N 311.357 -0.605 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)Cc2occc2C)C1 1220315041 QLQNDRDXZXEHKP-OLZOCXBDSA-N 319.361 -0.959 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)Cn3cccn3)[C@@H]2C1 1221268055 LDLOVQPSHZNVGH-ZIAGYGMSSA-N 315.377 -0.835 30 20 DBED C=CCOCCN1CC[C@@H]2CN(C(=O)CNC(=O)NC)[C@@H]2C1 1221598659 RDLMHGGOPCLYDO-CHWSQXEVSA-N 310.398 -0.349 30 20 DBED COCC#CCN[C@H]1CCCN(C(=O)C[C@H]2CC(=O)NC2=O)C1 1222156232 CKMFRVNWLJEIBN-OLZOCXBDSA-N 321.377 -0.730 30 20 DBED C#CCCN1CCC(CNC(=O)[C@H](C)NC(=O)COC)CC1 1223295431 XXLCODVZXYQCHQ-ZDUSSCGKSA-N 309.410 -0.011 30 20 DBED Cn1ncnc1COCC(=O)N1CC[C@H]2CCN(CC#N)[C@H]2C1 1223807802 RGKXUERLJBUXTA-OLZOCXBDSA-N 318.381 -0.222 30 20 DBED Cc1nc(C(=O)NC2CCN(CC(=O)NCC#N)CC2)co1 1227006192 LZVHZUZWROIEEX-UHFFFAOYSA-N 305.338 -0.183 30 20 DBED CN(C[C@@H]1CCN1CC#N)C(=O)[C@@H](Cn1cccn1)N(C)C 1235302643 HWPGRHIDFMAZOL-UONOGXRCSA-N 304.398 -0.130 30 20 DBED C=CC[C@H](NC(=O)CCn1cc[nH]c(=O)c1=O)C(=O)OCC 1320124955 OCAPYROEJWQYTF-JTQLQIEISA-N 309.322 -0.449 30 20 DBED CS(=O)(=O)CC1(CNC(=O)C(=O)NCCCC#N)CC1 1327247547 PSOMSKYZJJANLO-UHFFFAOYSA-N 301.368 -0.653 30 20 DBED COc1cc(CNC(=O)C(=O)N2CCO[C@H](C#N)C2)ccn1 1327410272 TWDIEOLJCNFCAL-LLVKDONJSA-N 304.306 -0.543 30 20 DBED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N[C@H]2CCNC2)n1 1328332673 BVYWXMNVDGUUQD-JTQLQIEISA-N 304.354 -0.074 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)C(=O)N2CC[C@@](O)(C3CC3)C2)C1 1328426397 OYECBIBKOVDUNW-CABCVRRESA-N 307.350 -0.763 30 20 DBED C#CCCCCNC(=O)C(=O)NCc1nnn(C(C)(C)C)n1 1329195566 JFGSAFLTVXKODO-UHFFFAOYSA-N 306.370 -0.036 30 20 DBED COC1(CNC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)CCC1 1330415942 BJFQZFCGWASPQC-CYBMUJFWSA-N 320.393 -0.130 30 20 DBED N#CCCCn1cc(CNC(=O)CN2CCCNCC2)nn1 1330751143 AZBXMOWJKMVKBD-UHFFFAOYSA-N 305.386 -0.507 30 20 DBED CC1(C)CN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)CCCO1 1332376942 NDHDKNYXOWRHHH-OAHLLOKOSA-N 309.366 -0.109 30 20 DBED N#C[C@H]1CCCN(C(=O)C(=O)N2CCN3CCOC[C@H]3C2)C1 1335526818 VWRDMKXNXRZUPR-CHWSQXEVSA-N 306.366 -0.708 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CC=CCC2)CC1 1336048925 HLMBXLWFIOPAKH-ZDUSSCGKSA-N 311.407 -0.046 30 20 DBED C=CCn1c(C[C@H](C)O)nnc1N1CCS(=O)(=O)CC1 1338821879 OBTPSYJJDGBCJP-JTQLQIEISA-N 300.384 -0.378 30 20 DBED C#CCNCC(=O)N[C@@H](C)c1ccc(S(=O)(=O)NC)cc1 1340632717 AJIPWMWLNQKYAU-NSHDSACASA-N 309.391 -0.005 30 20 DBED C=CCSCCNC(=O)C(=O)N[C@H]1CCCS(=O)(=O)C1 1345463623 PKLQQRIGTULJPF-JTQLQIEISA-N 320.436 -0.285 30 20 DBED C#CCN(CC#CC)c1nnc([C@@]2(O)CCOC2)n1CCOC 1345860212 AICPUHHTTRRLNM-MRXNPFEDSA-N 318.377 -0.005 30 20 DBED CC1(CCNC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)OCCO1 1345867443 GBODQPLOMCQSBX-AWEZNQCLSA-N 311.338 -0.867 30 20 DBED CC(C)n1ccc(CNC(=O)C(=O)N2CCO[C@H](C#N)C2)n1 1346292900 YQYXJGXWXHKPSI-GFCCVEGCSA-N 305.338 -0.169 30 20 DBED CN(C)[C@@H]1CCCN(C(=O)Cn2cc(C#N)c(O)nc2=O)CC1 1362584459 XMBFMFXTYHHOKA-GFCCVEGCSA-N 319.365 -0.237 30 20 DBED C[C@H]1[C@@H](CO)CCCN1C(=O)Cn1cc(C#N)c(O)nc1=O 1362728761 LYAZKDHQLCQDML-VHSXEESVSA-N 306.322 -0.560 30 20 DBED Cn1c(=O)[nH]c(N[C@H]2C[C@@H]3CCCCN3C2=O)c(C#N)c1=O 1365227824 QVKNAFAVXGLHBM-WPRPVWTQSA-N 303.322 -0.489 30 20 DBED CC(=O)NCC(=O)N1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)[C@H]1C 1370818315 KLXNLBZENBWSFI-SKDRFNHKSA-N 317.349 -0.258 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@@H]1CCN(C(=O)c2nccnc2N)C1 1372082290 WPTAKHXIBNDCDH-NXEZZACHSA-N 302.338 -0.109 30 20 DBED C=C(Cl)CN1CC(NC(=O)[C@H](C)NS(=O)(=O)CC)C1 1377892794 VBOBCIUDLQPXBU-VIFPVBQESA-N 309.819 -0.133 30 20 DBED C[C@@H](CN(C)C(=O)c1cc(C#N)c[nH]1)NCc1nc(O)n[nH]1 1379090985 IKWONVNPSZEAFR-QMMMGPOBSA-N 303.326 -0.040 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CCNC(=O)Cn2ncnn2)CC1 1399221703 SDIWXZVUKWCWMT-NSHDSACASA-N 319.369 -0.422 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CCN[C@H](C)C(=O)NC(N)=O)CC1 1405504953 LZDWFCDIQMGOTM-GHMZBOCLSA-N 323.397 -0.052 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)Cc1ccc(F)cn1 1410151924 YRZOXMQPSGHNDC-SKDRFNHKSA-N 308.313 -0.484 30 20 DBED CC(=O)N(C)CC(=O)N(C)[C@@H](C)CNC(=O)c1cc(C#N)c[nH]1 1411525225 UBJFCZOGQZXPLX-JTQLQIEISA-N 319.365 -0.059 30 20 DBED C=C(Cl)CNC1(CNC(=O)Cn2ncn(C)c2=O)CCC1 1421752196 IZCJEQHABVFTIU-UHFFFAOYSA-N 313.789 -0.037 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CCS(=O)(=O)C2)C1 1454338316 ZWAJBTUDIPXOKF-LMLFDSFASA-N 313.379 -0.656 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N(CC(N)=O)C1CCOCC1 1475630052 NIQVSYFDNRFRCY-SNVBAGLBSA-N 318.399 -0.711 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@@H](NC(=O)Cc2nonc2C)C1 1479966130 BSBOZYUNVGEGAG-NWDGAFQWSA-N 319.365 -0.751 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H](C)CNC(=O)CN(C)S(C)(=O)=O 1486894282 JZQAEPOXZUNDMO-NXEZZACHSA-N 318.399 -0.999 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1C[C@@H](NC(=O)[C@H]2CN(C)CCO2)C1 1489845962 MNCXDVAMMYLVRX-FVCCEPFGSA-N 308.382 -0.512 30 20 DBED N#Cc1c[nH]c(C(=O)NCC2(NC(=O)[C@@H]3CCC(=O)N3)CC2)c1 1506000567 FIZGSLHJQVDKMV-JTQLQIEISA-N 315.333 -0.456 30 20 DBED C=C(Cl)CN(C)[C@H](C)CNC(=O)C[C@H](NC(C)=O)C(N)=O 1506015352 SYRCUNGLXWIWBP-KOLCDFICSA-N 318.805 -0.445 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)CNC(=O)O)C[C@H]1C 1573368419 DPIJODKELDZSOU-GHMZBOCLSA-N 313.354 -0.333 30 20 DBED C=CCOC[C@H](NC(=O)[C@H](C)[C@@H](C)S(C)(=O)=O)C(=O)O 1573369762 ZOFARIVJWATTJS-BBBLOLIVSA-N 307.368 -0.172 30 20 DBED C=CC[C@H](NC(=O)CCNC(=O)[C@H]1CCCN1)C(=O)OCC 1574889093 KXQYHAPLDIFGRV-NEPJUHHUSA-N 311.382 -0.131 30 20 DBED N#C[C@H]1CNCC12CC(C(=O)NCCC(=O)N1CCOCC1)C2 1580044071 VUCPWBAJTLOMIK-UYJPIKCFSA-N 320.393 -0.509 30 20 DBED C#CCN1CCC[C@H](NC(=O)[C@@H]2CCCN(CC(=O)O)C2=O)C1 1588431496 ZIBYUQOGSYWEPS-STQMWFEESA-N 321.377 -0.477 30 20 DBED C#Cc1ccccc1CC(=O)N1CC(=O)N(C)C[C@H]1C(=O)O 1588524398 IQAUFPYWDYAWEG-ZDUSSCGKSA-N 300.314 -0.036 30 20 DBED C[C@@H](CNC(=O)[C@H](C)C#N)N=c1cc[nH]cc1-c1nn[nH]n1 1589849741 LNLJQQAOUWLHMW-BDAKNGLRSA-N 300.326 -0.240 30 20 DBED N#Cc1nc(NC(=O)c2ccn3nccc3n2)[nH]c1-c1nn[nH]n1 1592682294 VWJVLEBJSTVXLP-UHFFFAOYSA-N 321.264 -0.244 30 20 DBED N#Cc1ncc(NCCN2CC[C@@H](O)C2)nc1-c1nn[nH]n1 1592710180 IXHALCVKAXKCJZ-MRVPVSSYSA-N 301.314 -0.993 30 20 DBED CCO[C@H]1CCN(C(=O)C(=O)N2CCC(C#N)(C(=O)O)CC2)C1 1596981314 RSTRTANAZCFPMG-NSHDSACASA-N 323.349 -0.159 30 20 DBED CN(CCNS(=O)(=O)c1cccc(F)c1C#N)CC(=O)O 1598494193 NMZAYBXCKJFQLO-UHFFFAOYSA-N 315.326 -0.008 30 20 DBED N#CCOc1cccc(CC(=O)OCC(=O)NCC(=O)O)c1 1601075893 RTGCZHADQFLDQC-UHFFFAOYSA-N 306.274 -0.125 30 20 DBED C#CCC(CC#C)C(=O)N(CCN1CCOCC1)CC(=O)O 1602682920 HJJHEOTWJMXNPH-UHFFFAOYSA-N 306.362 -0.105 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)c1ccc(-c2nn[nH]n2)c(C)n1 1602722276 JNXFOSPNFGMMJO-VIFPVBQESA-N 314.305 -0.135 30 20 DBED CS(=O)(=O)N1CCC(NS(=O)(=O)CC2(C#N)CC2)CC1 1647142425 LKPMUOLVWXWPGC-UHFFFAOYSA-N 321.424 -0.366 30 20 DBED C#CCNC(=O)CN[C@@H](C)CCNC(=O)c1cccc(OC)n1 1717342320 HWCCBYLLWZQTQM-LBPRGKRZSA-N 318.377 -0.062 30 20 DBED C=CCNC(=O)CN[C@H](CNC(=O)c1ccncn1)C1CC1 1752489659 GTCHPHJMKGFDIV-CYBMUJFWSA-N 303.366 -0.123 30 20 DBED C=CCNC(=O)CN[C@@H]1CCC[C@H](NC(=O)C2(C(N)=O)CC2)C1 1752976537 OQQSUVRUCTWPCJ-NEPJUHHUSA-N 322.409 -0.429 30 20 DBED C#CCNC(=O)CN[C@H](C)C1CCN(C(=O)c2cn[nH]c2)CC1 1753269013 ALQPVGHEESMYQB-GFCCVEGCSA-N 317.393 -0.011 30 20 DBED C=CCN1CC[C@H](CCNC(=O)C[C@H](NC(C)=O)C(N)=O)C1 1753337243 JSCGJHSPLHBOLR-STQMWFEESA-N 310.398 -0.619 30 20 DBED CCN(CCNCC(=O)NCC#N)C(=O)[C@H]1CCC[C@H]1OC 1754053527 VPCQZLJAGXAPGE-QWHCGFSZSA-N 310.398 -0.121 30 20 DBED C=CCCNC/C=C\CNC(=O)CN1CCS(=O)(=O)CC1 1754205576 IKWWYVPCRJPVGZ-PLNGDYQASA-N 315.439 -0.445 30 20 DBED C=CCNC(=O)CN(C)C[C@@H](C)NC(=O)c1ccc(OC)nn1 1754330534 LWKCPUIJIDPSEJ-LLVKDONJSA-N 321.381 -0.163 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@@](C)(NC(=O)CCN(C)C)C1 1754677817 AJZFAQPQSCDMGH-CZUORRHYSA-N 308.426 -0.343 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@]1(O)CCN(Cc2nccn2C)C1 1754751545 OEQBXHASUYIIOG-CZUORRHYSA-N 320.393 -0.489 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)c2c(C)ncnc2O)CCO1 1755010636 ILLJFNBCTXBWJN-GFCCVEGCSA-N 304.350 -0.055 30 20 DBED C#CCN[C@@H]1CN(C(=O)CN(C)S(=O)(=O)CC)C[C@@H]1C 1755118974 MDJAMXISZAFKFQ-NWDGAFQWSA-N 301.412 -0.662 30 20 DBED C[C@@H]1C[C@H](NC(=O)C#CC2CC2)CCN1Cc1nc(=O)n(C)[nH]1 1755161556 XQPNIYBNWLSXSJ-DGCLKSJQSA-N 317.393 -0.009 30 20 DBED C=CCN[C@@H](C)[C@H]1CN(C(=O)c2cc(=O)n(C)cn2)CCO1 1755442848 XIWOIMSHWJLMCS-WCQYABFASA-N 306.366 -0.215 30 20 DBED C#CCNC[C@H](C1CC1)N(C)C(=O)CCCN1C(=O)CNC1=O 1755572571 XSELWEGDUKKOIA-CYBMUJFWSA-N 320.393 -0.222 30 20 DBED C#CCNC(=O)CN[C@@H](C)CN(C)C(=O)[C@H](C)NC(=O)CC 1755589115 MSQGQMRICAVYHO-RYUDHWBXSA-N 310.398 -0.913 30 20 DBED Cc1nocc1C(=O)N1C[C@@H](NCC(=O)NCC#N)C[C@H]1C 1755681600 MYJSEDXSIKHIME-KOLCDFICSA-N 305.338 -0.185 30 20 DBED CC(=O)N1C[C@H](CNCC(=O)NCC#N)[C@H](C(F)(F)F)C1 1755767301 CWBMHBLMGQJJNG-VHSXEESVSA-N 306.288 -0.127 30 20 DBED C=CCN(C)C[C@H](O)CN(C)C(=O)CCN1C(=O)CCC1=O 1755803144 NUWPHVKWRRSIKX-LBPRGKRZSA-N 311.382 -0.537 30 20 DBED COCCN(CC#N)CCNC(=O)C[C@@H]1CCCS1(=O)=O 1755839145 HNFOJDQMNWBMHX-LBPRGKRZSA-N 317.411 -0.458 30 20 DBED CC#CCCCC(=O)NC[C@H](CO)NC(=O)[C@H]1CCC(=O)N1C 1756543772 SNWNNAWBIOBQLN-CHWSQXEVSA-N 323.393 -0.606 30 20 DBED C=CCCCC(=O)N[C@@H]1CN(C(=O)C[C@@H]2CCNC2=O)C[C@@H]1O 1757207369 UMPVHYLCVAGHOL-XQQFMLRXSA-N 323.393 -0.443 30 20 DBED N#CCSCC(=O)N[C@@H]1CCN(C(=O)c2cn[nH]c2)C[C@H]1O 1757562645 PCHRMAPKFLMJBC-GHMZBOCLSA-N 323.378 -0.642 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC#N)C2 1793342656 YJOROODXPRIGRG-XPCVCDNBSA-N 319.361 -0.472 30 20 DBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C)CC3)C2)C1 1839807312 ZMCIONQIRXZGJZ-INIZCTEOSA-N 306.362 -0.124 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C1CN(C)C1 1847803180 JRLOVZPHJXZHJB-QEJZJMRPSA-N 319.405 -0.212 30 20 DBED C=C(C)COCCNS(=O)(=O)c1cc(C(N)=O)n(C)c1 125750686 PLOFZBFWFHJTIQ-UHFFFAOYSA-N 301.368 -0.005 30 20 DBED COC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1cccnc1C#N 234560440 LHNJTVBZCUEGQW-SCZZXKLOSA-N 311.319 -0.750 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@](C)(CN)C2CC2)C1=O 262603006 AMMMDFVYZMMQCV-CQSZACIVSA-N 308.338 -0.793 30 20 DBED C#CCNC(=O)c1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 264888806 PGGONCQKPQKRRM-UHFFFAOYSA-N 322.390 -0.474 30 20 DBED N/C(=N\C[C@H](O)CS(=O)(=O)c1cccs1)NC1CC1 269717790 SSVPMRSJYWWRTE-VIFPVBQESA-N 303.409 -0.051 30 20 DBED C=CC[C@H](NS(=O)(=O)N(CCOC)CCOC)C(=O)O 274896172 HDCYRLPXPOKLJL-JTQLQIEISA-N 310.372 -0.555 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCc2cc(C)nn2C)C1=O 284084329 MQVBBUJILZBANW-UHFFFAOYSA-N 319.321 -0.678 30 20 DBED C/N=C(/O)CN1CCN(C(=O)CCN2C(=O)CCC2=O)CC1 328871591 YJTZXCOVLYVOQM-UHFFFAOYSA-N 310.354 -0.744 30 20 DBED Cc1cc(NC(=O)CN(C)S(=O)(=O)N(C)CCC#N)no1 330490285 DKWYCQSCKZXQRZ-UHFFFAOYSA-N 315.355 -0.056 30 20 DBED CC(C)(C)NC(=O)CCNS(=O)(=O)N1CCO[C@H](C#N)C1 337092138 MBSRETWWSWTVLW-SNVBAGLBSA-N 318.399 -0.650 30 20 DBED CC(=O)NC[C@H]1CN(S(=O)(=O)N(C)[C@H](C)CC#N)CCO1 337967273 HUAZACOVDMPSBF-PWSUYJOCSA-N 318.399 -0.698 30 20 DBED C=CC[C@@H](CO)CNC(=O)c1cc(S(N)(=O)=O)cn1C 340007258 WZUBSSDNGNLYOB-SECBINFHSA-N 301.368 -0.413 30 20 DBED C[C@@H]([C@@H](C)NC(=O)C(=O)N1CCC(C#N)CC1)N1CCOCC1 343336578 OWVBIMUKUFRRMX-OLZOCXBDSA-N 322.409 -0.026 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N[C@@H](COC)[C@H]1CCCO1 346925336 BAIRXVUMJUQNFG-QWHCGFSZSA-N 314.382 -0.042 30 20 DBED COCCN1CCN(S(=O)(=O)CCCCC#N)CC1=O 350932359 BCQOGMWMLGTJKS-UHFFFAOYSA-N 303.384 -0.199 30 20 DBED N#CCC1(O)CN(C(=O)[C@@H]2CC[C@@H](C(F)(F)F)NC2=O)C1 372710542 DDNBTYHEAWTFOZ-SFYZADRCSA-N 305.256 -0.070 30 20 DBED CN(CCC#N)S(=O)(=O)N1CC[C@H](CN2CCOCC2)C1 408239261 XXJQBHHYCFKAKN-CYBMUJFWSA-N 316.427 -0.269 30 20 DBED CCN(CC)CC(=O)N1CCN(S(=O)(=O)[C@H](C)C#N)CC1 416388760 NLNCFMFDIIWIPM-GFCCVEGCSA-N 316.427 -0.286 30 20 DBED Cc1ncc(S(=O)(=O)NCc2cc(C(N)=O)no2)cc1C#N 489586916 SJOQOGSDNYSEBU-UHFFFAOYSA-N 321.318 -0.173 30 20 DBED CC(C)(C#N)CCS(=O)(=O)NC[C@@H](O)Cn1ccnn1 565237304 YYSPPCGGGJLUOL-SNVBAGLBSA-N 301.372 -0.502 30 20 DBED C=CCCOCCNC(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 567506486 QIKBWBVCRPPJSD-LLVKDONJSA-N 305.400 -0.088 30 20 DBED CCNC(=O)NC(=O)CN1CCN(c2cnccc2C#N)CC1 568828549 FHTBCGXDYSNDDT-UHFFFAOYSA-N 316.365 -0.079 30 20 DBED N#CC1CN(C(=O)c2cc(S(=O)(=O)N3CC(C#N)C3)c[nH]2)C1 590092399 AKQXLGUVRNZTMA-UHFFFAOYSA-N 319.346 -0.246 30 20 DBED COC(=O)[C@@H]1CNCCCN1S(=O)(=O)c1cncc(C#N)c1 592388361 IYEKEGJNXDDZMC-LBPRGKRZSA-N 324.362 -0.521 30 20 DBED COCC[C@@](C)(C#N)NC(=O)Cn1nc2n(c1=O)CCCC2 593159154 LEICKGSDFAUVIZ-AWEZNQCLSA-N 307.354 -0.184 30 20 DBED COC(=O)[C@@H]1CCC[C@@H]1NS(=O)(=O)N1CCO[C@H](C#N)C1 595404327 VNJULDMJOXGBSX-MXWKQRLJSA-N 317.367 -0.613 30 20 DBED Cc1nn(C)c(N2CCN(C(=O)[C@H]3CCNC3=O)CC2)c1C#N 597551590 FLCQRDAQSYGMJE-NSHDSACASA-N 316.365 -0.615 30 20 DBED N#Cc1ccc(NCC(=O)N2CC[C@@H]3NC(=O)CC[C@H]3C2)nc1 598173056 RCDWQRGHNYOSBJ-STQMWFEESA-N 313.361 0.492 30 20 DBED N#CCCN1CCN(C(=O)C(=O)N2CC[C@H]3CCN[C@@H]3C2)CC1 601580739 DGNLWOKARDPHJO-ZIAGYGMSSA-N 319.409 -0.745 30 20 DBED CN(CCCNCc1cnc2c(C#N)cnn2c1)S(C)(=O)=O 603893170 PGSJDZJLKUFZHF-UHFFFAOYSA-N 322.394 -0.028 30 20 DBED CCOCCOC[C@@H](O)CNC(=O)Nc1nn(C)cc1C#N 616791537 IKJWSWXSGDYTPH-NSHDSACASA-N 311.342 -0.173 30 20 DBED C[C@H]1CN(c2nccnc2C#N)CCN1CC(=O)NCCC#N 756911412 RYGYNABQBRJUCS-LBPRGKRZSA-N 313.365 -0.111 30 20 DBED C#CCOCCOC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 762730000 INQLXYNKBMLSET-AUZPSNTRSA-N 303.314 -0.014 30 20 DBED C#C[C@H](NC(=O)c1ccc(=O)n(CCOC)n1)[C@H]1CCCO1 772886590 GIYHMUCJBWPTQK-WCQYABFASA-N 305.334 -0.200 30 20 DBED C#C[C@H](NC(=O)c1ccnc2c(C(N)=O)cnn12)[C@H]1CCCO1 775346492 BYVFSJSOCGXOOR-CMPLNLGQSA-N 313.317 -0.261 30 20 DBED CS(=O)(=O)N1CCN(CC(=O)O[C@@H](C#N)C2CC2)CC1 778658316 LYXYWGNCIZNDDV-NSHDSACASA-N 301.368 -0.591 30 20 DBED COC(CN(CCCO)S(=O)(=O)CC1(C#N)CC1)OC 786122193 PVLCQYJUBKRVSE-UHFFFAOYSA-N 306.384 -0.077 30 20 DBED C#CCC[C@@H](O)CNC(=O)NCCNC(=O)c1cccnc1 798362475 XPRPEXNXRCWVIC-CYBMUJFWSA-N 304.350 -0.115 30 20 DBED CCCCOC(=O)CNS(=O)(=O)N1CCO[C@@H](C#N)C1 800055994 OMIZVOVLIDQURX-JTQLQIEISA-N 305.356 -0.612 30 20 DBED C=CCCn1cc(C(=O)OCC(=O)N[C@H](C)C(=O)N(C)C)nn1 820976931 NOVSDUGQAURGQA-SNVBAGLBSA-N 323.353 -0.396 30 20 DBED CC#CC[C@@H](CO)NC(=O)NC[C@H]1COC2(CCOCC2)O1 826857054 OYICHZDEQRYJQL-STQMWFEESA-N 312.366 -0.018 30 20 DBED COC(=O)[C@@H]1CN(CN2CCN(C3CC3)[C@H](C#N)C2)C(=O)O1 839998577 ZZBDDMWEMAKMQU-NEPJUHHUSA-N 308.338 -0.390 30 20 DBED CCOC(=O)c1cnn(C)c1C(=O)OCC(=O)NCCC#N 845185708 DULOTFVBYJPDLU-UHFFFAOYSA-N 308.294 -0.217 30 20 DBED C#CC[C@H](CO)NC(=O)CNS(=O)(=O)c1cccc(F)c1 854548803 YSRBBDXBEHSVDD-LLVKDONJSA-N 314.338 -0.396 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)NCCN(C)C(=O)OC 875458840 JBSFSLYRNKFUQX-LLVKDONJSA-N 313.354 -0.655 30 20 DBED C=CCn1cc(CNC(=O)N2CC(N3CCCC3=O)C2)nn1 895445092 IAZORKPNHIAWMY-UHFFFAOYSA-N 304.354 -0.020 30 20 DBED C#CCN1CCC[C@@H](NC(=O)[C@H]2CCc3nnnn3CC2)C1 923553779 BOKCLIPJOURXKR-QWHCGFSZSA-N 302.382 -0.161 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(C)c1N 936955947 QSHCDJQCCZZLKT-UTLUCORTSA-N 302.338 -0.413 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)c3cn(C)nn3)C2)nc1 938372816 SQEJIQYFHPXUQX-LBPRGKRZSA-N 324.344 -0.164 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CNC(=O)c2cnnn2C)CC1 949391287 VXTDLYMXIHKWFT-JTQLQIEISA-N 304.354 -0.057 30 20 DBED O=C1CC[C@@H](C(=O)N[C@H]2CCCN(C(=O)C#CC3CC3)C2)N1 950761830 OGDGLSPGZSLPTE-STQMWFEESA-N 303.362 -0.214 30 20 DBED C=CC(C)(C)C(=O)N1CCC[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1 951542614 BHIZVVGZTNFGER-GHMZBOCLSA-N 308.382 -0.013 30 20 DBED C#Cc1ccc(C(=O)N2CC(N(C)C(=O)c3ncn(C)n3)C2)nc1 954206697 NKLPXTBRFTZHEK-UHFFFAOYSA-N 324.344 -0.212 30 20 DBED CN(C(=O)c1cnon1)C1CN(C(=O)c2ccc(C#N)[nH]2)C1 955088744 QQVVOIHQUPEYEQ-UHFFFAOYSA-N 300.278 -0.134 30 20 DBED N#CCN1C[C@H](O)[C@H](CNC(=O)c2cn(C3CCC3)nn2)C1 958073539 LWHODYKCYUWYCO-MFKMUULPSA-N 304.354 -0.451 30 20 DBED Cc1nnsc1C(=O)N(C)[C@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1O 958493795 ZNJBIWSBGVYIGY-HGNGGELXSA-N 323.378 -0.350 30 20 DBED N#CCN1C[C@H](CNC(=O)c2ccc(C(N)=O)cc2)[C@@H](O)C1 958662187 PGWLDGPFZYSFMT-STQMWFEESA-N 302.334 -0.668 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CC2CCOCC2)C1 958764032 DFQNYSMOKCGEGJ-XBFCOCLRSA-N 323.393 -0.007 30 20 DBED C=C(C)CCN1C[C@@H]2C(NC(=O)Cn3cnc(C(N)=O)n3)[C@H]2C1 959965182 ITNKNLGPZVSKCV-QWRGUYRKSA-N 318.381 -0.610 30 20 DBED COCCn1cc(C(=O)NC2[C@H]3CN(CC#N)C[C@H]23)ccc1=O 960769609 SDXVFNZUQAVKLI-STQMWFEESA-N 316.361 -0.322 30 20 DBED CC#CCN1C[C@H]2[C@H](NC(=O)Cn3ccc(O)nc3=O)[C@H]2C1 960849738 CNQNIXMNBLZUTB-YABSGUDNSA-N 302.334 -0.981 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H]2CN(C(=O)c3cc[nH]n3)C[C@@H]21 960879646 DHQUDUUXYYRIOH-ADEWGFFLSA-N 303.322 -0.379 30 20 DBED COc1ccc(CN2C[C@@H]3C(NC(=O)C(N)=O)[C@H]3C2)cc1C#N 961641484 RJYKFCUIWMIDFZ-RYUDHWBXSA-N 314.345 -0.401 30 20 DBED C#Cc1cncc(C(=O)NC2[C@@H]3CN(Cc4nc(O)n[nH]4)C[C@@H]23)c1 961723147 QNRZIESCCMJMFE-VXGBXAGGSA-N 324.344 -0.253 30 20 DBED CCn1cc(C(=O)N2C[C@@H]3CN(C(=O)[C@@H](C)C#N)C[C@@H]3C2)nn1 962256766 GVYJRUWXDNYNGL-SDDRHHMPSA-N 316.365 -0.012 30 20 DBED C=C(Cl)CN1C[C@H]2C(NC(=O)Cn3c(O)nnc3O)[C@@H]2C1 962415764 QXVJEWBBVSZFLM-HTQZYQBOSA-N 313.745 -0.512 30 20 DBED C=CCN1C[C@H]2C(NC(=O)c3cn(CC(=O)N(C)C)nn3)[C@@H]2C1 962813268 OOSCMFMLSBFHJM-GHMZBOCLSA-N 318.381 -0.788 30 20 DBED COc1ncnc(OC)c1C(=O)NC1[C@@H]2CN(CC#N)C[C@@H]12 963072957 VDOVBLDMXWLIQA-RKDXNWHRSA-N 303.322 -0.323 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CN(C(=O)c3ccon3)CCO2)C1 965313555 NKUWRSBWAQTEKT-SNVBAGLBSA-N 304.306 -0.112 30 20 DBED Cc1nn[nH]c1C(=O)N[C@H]1COC2(C1)CN(C(=O)[C@@H](C)C#N)C2 965757759 OVJIUXHJSNAMCL-WCBMZHEXSA-N 318.337 -0.628 30 20 DBED CC#CCN1CC[C@H](C)[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)C1 968538809 LDTNPBPZJIHAMV-STQMWFEESA-N 320.393 -0.270 30 20 DBED Cc1nn(CC(=O)N[C@@H]2CN(CC#N)CC[C@H]2C)c(=O)n1C 968597236 USBOYQCUKNBAQX-ZYHUDNBSSA-N 306.370 -0.760 30 20 DBED C[C@@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)Cn1cncn1)C2 969817084 HWUCYLWCZCRTTH-SRVKXCTJSA-N 302.338 -0.360 30 20 DBED CCn1ncc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)c1C 970045945 WOFOKQRFRVZFNY-WQAKAFBOSA-N 319.365 -0.327 30 20 DBED CCn1cc(C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2O)nn1 970238260 NDFZHEFONNIMNF-YPMHNXCESA-N 317.349 -0.987 30 20 DBED CC(=O)N1CC(C(=O)N2CC[C@@H]3CN(C(=O)[C@H](C)C#N)[C@@H]3C2)C1 974973357 FJXOZTXGFKCMMF-MPKXVKKWSA-N 318.377 -0.316 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)[C@H]3CCN(C)C3=O)[C@H]2C1 977001100 KLTZMPUSUSLJMZ-RNWYCLNJSA-N 304.350 -0.803 30 20 DBED C#CCN1C[C@@H]2C(CNC(=O)c3nc4nccc(C)n4n3)[C@H]2C1 979031998 XRKHGXDVEFDVBQ-CHWSQXEVSA-N 310.361 -0.026 30 20 DBED C#CCCN1C[C@@H]2CC[C@H](NC(=O)Cn3ncnn3)C[C@H]2C1 979705632 AZBJIMSQVOQMGO-IHRRRGAJSA-N 302.382 -0.087 30 20 DBED Cc1nn(CC(=O)N2CC3(CCCN(CC#N)C3)C2)c(=O)n1C 982135291 AJFYWNIZTDOIDU-UHFFFAOYSA-N 318.381 -0.662 30 20 DBED CC(=O)N1CCO[C@@H](C(=O)N[C@H](C)C2CCN(CC#N)CC2)C1 997409289 PGFBUYLLDJAIBL-IUODEOHRSA-N 322.409 -0.026 30 20 DBED N#CCN1CC[C@@H](n2cc(CNC(=O)c3cnns3)nn2)C1 999957590 WCNLGFFWABUCCR-SNVBAGLBSA-N 318.366 -0.170 30 20 DBED C#CCN1CCC(C2(NC(=O)[C@@H]3CC(=O)NC(=O)N3)CC2)CC1 1000280943 RJIWSCIRVQYCHR-LBPRGKRZSA-N 318.377 -0.422 30 20 DBED C=CCN[C@@H]1CCCN(C(=O)c2cn(CC(=O)N(C)C)nn2)C1 1001000722 WFULIFSSYDLHEO-GFCCVEGCSA-N 320.397 -0.254 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(CNC(=O)[C@@H]2COCCO2)C1 1001018421 SFICISMLJZHORQ-RDBSUJKOSA-N 324.377 -0.433 30 20 DBED CC(=O)N1CCC(=O)NCCN(C(=O)c2cc(C#N)c[nH]2)CC1 1001694911 BQNZOXVVNNLYMN-UHFFFAOYSA-N 317.349 -0.303 30 20 DBED C[C@H]1C[C@@H]1C(=O)N1CCNC(=O)CCN(C(=O)[C@H](C)C#N)CC1 1001777426 ONOOZVAXDKLSGK-XQQFMLRXSA-N 320.393 -0.021 30 20 DBED C#CCN1CCC[C@@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 1008123632 PMABFULPLQKRRF-LLVKDONJSA-N 314.353 -0.479 30 20 DBED C#Cc1ccc(C(=O)N2CCN(C(=O)CC(N)=O)CC2)nc1 1010789345 YWUAQIYTTDSHKD-UHFFFAOYSA-N 300.318 -0.777 30 20 DBED CC(=O)N1CCOC[C@H]1C(=O)N1CCN(C(=O)[C@H](C)C#N)CC1 1011213760 PAWHDZRUOUULAV-YPMHNXCESA-N 322.365 -0.936 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCN(Cc3n[nH]c(C)n3)C2)nn1 1015810198 CDCSLLSBWUSFPW-NSHDSACASA-N 316.369 -0.105 30 20 DBED N#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1ccc(C(N)=O)nc1 1017662861 OOYRRPVDJJCLET-BETUJISGSA-N 313.361 -0.078 30 20 DBED CC(=O)N1CCOC[C@H]1C(=O)NC1C[C@@H]2CC[C@H](C1)N2CC#N 1021464834 MVUAFXACDLOINX-DKUMPPAJSA-N 320.393 -0.131 30 20 DBED C#CCN1CCC[C@H](CNC(=O)[C@H]2COCCN2C(C)=O)C1 1023757333 CFGVTHDZBJIJBR-HUUCEWRRSA-N 307.394 -0.305 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2nonc2C)C1 1025429542 VZUIFYDENCCWJU-VXGBXAGGSA-N 322.365 -0.179 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)[C@@H]3CCN(C)[C@@H]3C)C2)C1=O 1030336609 NYZVZOQKNPVFGA-YUELXQCFSA-N 320.437 -0.086 30 20 DBED N#CCN1CCO[C@H](CNC(=O)[C@H]2CCc3nccn3C2)C1 1035421020 SUAHAHBIOYBWBS-QWHCGFSZSA-N 303.366 -0.214 30 20 DBED C=C(C)CCN1CCO[C@@H](CNC(=O)c2nnc(O)nc2O)C1 1035431974 MPPRHALJOOXIPH-JTQLQIEISA-N 323.353 -0.320 30 20 DBED N#CCN1CCO[C@H](CNC(=O)c2nc[nH]c3nccc2-3)C1 1035433021 CPXIDSQCTBSNIS-SNVBAGLBSA-N 300.322 -0.136 30 20 DBED C#CCCN1CCO[C@H](CNC(=O)[C@@H]2CCCCC(=O)N2)C1 1035509760 DNTDKDYTQPGDLX-KGLIPLIRSA-N 307.394 -0.115 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2CCN2CC(=O)N(C)C)nn1 1038791886 SBPDDTPKXVNJMJ-LLVKDONJSA-N 306.370 -0.644 30 20 DBED CC(C)C#CC(=O)NC[C@@]1(O)CCN(C(=O)Cn2cncn2)C1 1039668545 YDHHCQVBLNUOFX-HNNXBMFYSA-N 319.365 -0.983 30 20 DBED Cc1ncn(C)c1C(=O)N1CC[C@@](O)(CNC(=O)[C@@H](C)C#N)C1 1040761807 WBDNTKRJMPAFDO-ZUZCIYMTSA-N 319.365 -0.419 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)c2cnn(C)c2)C1 1041413571 XPSQEZSFAQOISC-UHFFFAOYSA-N 304.350 -0.473 30 20 DBED N#CCN1CC[C@@]2(CCN(C(=O)CC3CS(=O)(=O)C3)C2)C1 1041422490 OGOVDKAWXXHQBI-CQSZACIVSA-N 311.407 -0.131 30 20 DBED CC(=O)N(C)CC(=O)NCC1(O)CN(C(=O)C#CC(C)(C)C)C1 1041575391 UOCOTSHFCCXCFK-UHFFFAOYSA-N 323.393 -0.796 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)/C=C/C2CC2)C1 1043040024 MSPXQVCLHHWHLR-NNNHXZLVSA-N 306.362 -0.320 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)C[C@@H]2CCCOC2)C1 1043144849 TZDSAXUCEFNVFR-NEPJUHHUSA-N 309.366 -0.348 30 20 DBED C=C(C)CCC(=O)NCC1(O)CN(C(=O)C2CN(C(C)=O)C2)C1 1043311669 XNVNJCMIAUQNKK-UHFFFAOYSA-N 323.393 -0.490 30 20 DBED N#Cc1cnc(N2C[C@H](O)[C@H](NC(=O)c3cnns3)C2)cn1 1043862785 HJUWKPXEDUHFEX-BDAKNGLRSA-N 317.334 -0.821 30 20 DBED Cc1cc(N2C[C@H](O)[C@H](NC(=O)c3nc[nH]n3)C2)c(C#N)cn1 1044109747 VPLPSTZVNBLSDD-PWSUYJOCSA-N 313.321 -0.641 30 20 DBED C=C[C@@](C)(CC)C(=O)NCC1(O)CN(C(=O)Cc2nc[nH]n2)C1 1045783511 YGYWHCTUNWDEMV-AWEZNQCLSA-N 321.381 -0.361 30 20 DBED CC#CCN1CC[C@@H](N2CCN(C(=O)C(C)(C)C(N)=O)CC2)C1 1046037569 SQPJXONKXOJRMS-CQSZACIVSA-N 320.437 -0.260 30 20 DBED C=CCCN1CC[C@H](N2CCN(C(=O)c3nnn(C)n3)CC2)C1 1046053427 BCZOXPPQOHFFBI-ZDUSSCGKSA-N 319.413 -0.382 30 20 DBED C#CCCN1CC[C@@H](N2CCN(C(=O)C3(C(N)=O)CC3)CC2)C1 1046058524 NHGVSOKWZPCFHS-CQSZACIVSA-N 318.421 -0.506 30 20 DBED N#CCN1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCNC2=O)C1 1046961720 ACNNAPOQUODOTL-NXEZZACHSA-N 300.309 -0.281 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cn(C)nn2)C1 1048781936 LQRCDFQXPLGIQC-STQMWFEESA-N 319.365 -0.738 30 20 DBED C#CCCN1C[C@H]2CN(C(=O)c3cn(C)c(=O)n3C)C[C@H]2C1 1049242110 KYVDIVOJSCHMKU-BETUJISGSA-N 302.378 -0.249 30 20 DBED C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1cnc(C(N)=O)n1 1049483519 YGOFLZLKENZVIG-VXGBXAGGSA-N 318.381 -0.372 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)[C@@H]1CCn2cncc2C1 1050980648 YSNOZJCOTPUKPH-HIFRSBDPSA-N 302.378 -0.104 30 20 DBED C#CCCN1CCOC[C@H]1CNC(=O)[C@H]1CCN(C)C(=O)C1 1050989868 XRMZQDUYMATBIB-UONOGXRCSA-N 307.394 -0.305 30 20 DBED CC(C)N1CCO[C@@H](C(=O)NC[C@H]2COCCN2CC#N)C1 1051081156 HRFHPWIVLIYHOD-UONOGXRCSA-N 310.398 -0.564 30 20 DBED C=CC(C)(C)C(=O)N1CCO[C@@H](CNCc2nnnn2C)C1 1051755974 MQAWVLLXRAOJQV-NSHDSACASA-N 308.386 -0.261 30 20 DBED N#Cc1nc(=NC2CC(CNC(=O)[C@H]3CCNC3=O)C2)cc[nH]1 1052046778 KEFXTMQSZNYEPV-ILDUYXDCSA-N 314.349 -0.787 30 20 DBED C#CCCN1CC2(CC[C@H](CNC(=O)c3cnn(C)n3)O2)C1 1053679241 YTLDYCHULHLNEQ-GFCCVEGCSA-N 303.366 -0.198 30 20 DBED C=C(C)CN1CC2(C[C@@H](NC(=O)C[C@H]3CC(=O)NC3=O)CO2)C1 1054025640 DKRJTPTUMJZZBQ-NWDGAFQWSA-N 321.377 -0.425 30 20 DBED N#Cc1nc(=N[C@@H]2CCN(C(=O)Cc3cncnc3)C2)cc[nH]1 1056619100 VYSFMCUYMRYONV-GFCCVEGCSA-N 309.333 -0.184 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)CCc1nc[nH]n1 1057516848 BIWCYDVEYBUPAM-UHFFFAOYSA-N 321.381 -0.666 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)c1cnnn1C 1057517229 MDRKSFJSCPLDFB-UHFFFAOYSA-N 307.354 -0.975 30 20 DBED C#CCO[C@H](C)C(=O)N(CCO)CCNC(=O)c1ccccn1 1057583671 WQLLXEWIDYBNDU-CYBMUJFWSA-N 319.361 -0.329 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)CCN1CCCCC1 1057861097 IBWDBMXNGQYIJF-CQSZACIVSA-N 324.425 -0.041 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)CCc1cn(C)nn1 1058010493 QNQUCSITOWOFQX-UHFFFAOYSA-N 323.397 -0.349 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)[C@@H]1CC12CCOCC2 1058067528 NASCNPAEDZSHQF-OLZOCXBDSA-N 323.393 -0.100 30 20 DBED CN1C(=O)CC[C@@H]1C(=O)N[C@@H]1CCN(c2cncc(C#N)n2)C1 1058523695 VMSRLEJVNKDBOJ-ZYHUDNBSSA-N 314.349 -0.336 30 20 DBED N#Cc1cnccc1N1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cnnn1 1058728838 LHLOZKGQUWSDMI-BETUJISGSA-N 324.348 -0.180 30 20 DBED N#Cc1ccc(N[C@H]2C[C@H](NC(=O)[C@@H]3COC(=O)N3)C2)nn1 1059212090 QXSWKLQPMBDHME-GUBZILKMSA-N 302.294 -0.484 30 20 DBED Cn1cc(CC(=O)N[C@H]2C[C@@H](N=c3cc[nH]c(C#N)n3)C2)cn1 1059584620 DHNXLRNEBWZTPY-TXEJJXNPSA-N 311.349 -0.195 30 20 DBED Cc1cc(C#N)nc(N[C@H]2C[C@@H](NC(=O)[C@@H]3CCC(=O)N3)C2)n1 1059684014 VCTNJVLKPAYLEM-UMNHJUIQSA-N 314.349 -0.006 30 20 DBED N#Cc1ccc(N[C@H]2C[C@@H](NC(=O)[C@@H]3CNC(=O)N3)C2)nc1 1059803002 QCQGBEXSFKPQTH-AXFHLTTASA-N 300.322 -0.306 30 20 DBED CC(C)C#CC(=O)N1CCOC[C@@H]1CNC(=O)CC(=O)N(C)C 1061596899 KENGSCNXKSAZOW-ZDUSSCGKSA-N 323.393 -0.532 30 20 DBED CN(C(=O)[C@@H]1COCCO1)[C@@H]1CCN(c2nccnc2C#N)C1 1062887703 YBJRLDSILKTTDU-YPMHNXCESA-N 317.349 -0.199 30 20 DBED C=CCCC(=O)NC1(CNC(=O)Cn2c(O)nnc2O)CCC1 1063866060 ULVRPJNEDVLXAZ-UHFFFAOYSA-N 323.353 -0.189 30 20 DBED CC(C)C#CC(=O)NC1(CNC(=O)[C@@H]2CN(C)C(=O)N2)CCC1 1063916041 WIMZZWIWERTNBN-LBPRGKRZSA-N 320.393 -0.176 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(C(=O)Cn2nccn2)CCO1 1065196166 VSSOBINTYLOWGV-CYBMUJFWSA-N 317.349 -0.965 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CN(C(=O)C2(CN(C)C)CC2)CCO1 1065537367 OFZOKEFPWYRUGZ-CHWSQXEVSA-N 322.409 -0.169 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC2(C[C@H](NC(=O)COCC)CO2)C1 1068676329 UFMTZFSBTFGROD-STQMWFEESA-N 324.377 -0.453 30 20 DBED CCCN(C)CC(=O)N1CC2(C[C@H](NC(=O)[C@@H](C)C#N)CO2)C1 1069002838 HXIXBTCHMNSKFH-STQMWFEESA-N 322.409 -0.026 30 20 DBED CC#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2cc(C)[nH]n2)C1 1069901118 ORRLUHDYSXKDMJ-KGLIPLIRSA-N 313.365 -0.012 30 20 DBED CNC(=O)CC(=O)NC1(CNC(=O)C#CC(C)C)CCOCC1 1070086359 RTXSWMNGTIWZNJ-UHFFFAOYSA-N 323.393 -0.437 30 20 DBED Cn1ccc(C(=O)N[C@@H]2CN(CC#N)C[C@@H]2n2ccnn2)n1 1070097187 GIYLMEYFAAYODY-NEPJUHHUSA-N 300.326 -0.810 30 20 DBED CC#CCN1Cc2cnn(C3CCN(C(=O)C(N)=O)CC3)c2C1 1070348831 IEKAHYHXFGSJPE-UHFFFAOYSA-N 315.377 -0.129 30 20 DBED CC(=O)N(C)CC(=O)N1CCC[C@@H](NC(=O)C#CC2CC2)C1 1070455958 TWOQXSIIFRIXIU-CQSZACIVSA-N 305.378 -0.015 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCC[C@@H](NC(=O)CNC(C)=O)C1 1070666033 CZMCABBVCCNBHB-DOMZBBRYSA-N 311.382 -0.443 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1070963619 ZTEHZIFYDWQWLG-VXGBXAGGSA-N 310.354 -0.512 30 20 DBED C#CCN1C[C@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)CC[C@@H]1C 1071865758 LLUXFZDNGZPMPF-WDEREUQCSA-N 320.349 -0.991 30 20 DBED C#CCN1C[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)CC[C@H]1C 1071987249 BROCOCSSQJHLSC-NEPJUHHUSA-N 306.366 -0.517 30 20 DBED CNC(=O)NCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)C#CC(C)C)C1 1072022408 ZTXPOUNGNJXZEB-OLZOCXBDSA-N 322.409 -0.072 30 20 DBED CNC(=O)CN1CCC2(C1)CN(C(=O)c1c[nH]c(C#N)c1)C2 1072639811 NDLGSONYMPDTTC-UHFFFAOYSA-N 301.350 -0.220 30 20 DBED C=C(C)CN1CCC2(C1)CN(C(=O)CN1CCN(C)C(=O)C1)C2 1072867759 OIYXLSKSMDTHHF-UHFFFAOYSA-N 320.437 -0.129 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCN(C(=O)C(F)F)C[C@@H]1C 1073889994 DGHPIGDWKYMUBQ-VHSXEESVSA-N 315.320 -0.256 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)Cc3ccnn3C)C[C@H]21 1074226505 RCPNGFIDILDDKD-HUUCEWRRSA-N 302.378 -0.103 30 20 DBED C[C@H](C#N)C(=O)N1CCC(O)(CNC(=O)Cc2ccon2)CC1 1074705777 ZBBXMODLEHEWNI-LLVKDONJSA-N 320.349 -0.154 30 20 DBED C[C@@H](CCNC(=O)c1cc(=O)n(C)cn1)NC(=O)[C@@H](C)C#N 1077129294 CMXHMVDEBXXTHK-UWVGGRQHSA-N 305.338 -0.435 30 20 DBED CC(C)CCn1cc(C(=O)N[C@@H]2CN(CC#N)C[C@H]2O)nn1 1077665894 RFWXKLMMCKJFHY-DGCLKSJQSA-N 306.370 -0.377 30 20 DBED CCN(C(=O)C#CC1CC1)C1CN(C(=O)Cn2cncn2)C1 1079740478 NVDCSAJIYGIEJZ-UHFFFAOYSA-N 301.350 -0.249 30 20 DBED C#CCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)C(C)(C)C(N)=O)C1 1079777228 VOQLYMOAMNTKRF-NSHDSACASA-N 323.393 -0.405 30 20 DBED O=C(C#CC1CC1)NC1(CO)CCN(C(=O)c2nc[nH]n2)CC1 1080854022 ASBLKAFKGBWYEA-UHFFFAOYSA-N 317.349 -0.699 30 20 DBED Cc1nonc1C(=O)N1CCC(CO)(NC(=O)[C@H](C)C#N)CC1 1080983875 YXCNCSQYTMFHFB-SECBINFHSA-N 321.337 -0.379 30 20 DBED C#CCOCCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2ccco2)C1 1081192320 SAFIYVKRNRVSBW-OLZOCXBDSA-N 320.345 -0.131 30 20 DBED O=C(Cc1cnoc1)NC[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 1081679797 OXBOIVNSKIUNRF-KGLIPLIRSA-N 317.345 -0.434 30 20 DBED C#Cc1cncc(C(=O)N2CCO[C@@H]3CN(C[C@@H](C)O)C[C@@H]32)c1 1083188291 NXEKHWWBJVSGCS-UHOFOFEASA-N 315.373 -0.031 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CN(Cc3ccon3)C[C@@H]2O)c[nH]1 1083414526 IGZIRISCCQHJID-OLZOCXBDSA-N 301.306 -0.151 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)Cc2c(C)nn(C)c2Cl)C1 1083606195 LQCKWAJGUNKEQD-NEPJUHHUSA-N 310.785 -0.281 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(Cc2nccn2C)C[C@@H]1O 1083789486 DRUBQUXBLMYQAD-MQYQWHSLSA-N 320.393 -0.328 30 20 DBED CS(=O)(=O)CC(=O)N1C[C@@H]2[C@@H]3CC[C@@H](CN3CC#N)[C@H]2C1 1087338450 IWWPKFXFITXXAE-RNJOBUHISA-N 311.407 -0.277 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cnc(O)n(C)c2=O)[C@H]1CC 1087683196 OWIZFPUVYPBHLW-NWDGAFQWSA-N 304.350 -0.298 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2c(C)nn(C)c2OC)[C@H](O)C1 1090615817 KIPBUUPAXXKERC-CHWSQXEVSA-N 320.393 -0.075 30 20 DBED N#CCN1CC[C@H](NC(=O)c2cnn(CC3CC3)c2)[C@@H](O)C1 1090708595 VRYWDLBEUDZQGC-KBPBESRZSA-N 303.366 -0.018 30 20 DBED Cc1nn2cccnc2c1C(=O)N[C@@H]1CCN(CC#N)C[C@H]1O 1090819455 BGEYVSFWZQJVJA-VXGBXAGGSA-N 314.349 -0.274 30 20 DBED Cn1nc(C2CC2)nc1CC(=O)N[C@H]1CCN(CC#N)C[C@H]1O 1090825326 XXUUIMBEDVKJIN-NWDGAFQWSA-N 318.381 -0.690 30 20 DBED CCCN(C)CC(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@@H]1O 1091130319 ZUZSKMNNHQDGBM-HIFRSBDPSA-N 317.393 -0.039 30 20 DBED Cn1nc(C(=O)N2C[C@H]3CN(CC#N)C[C@@]3(C)C2)ccc1=O 1092255759 WYCKBHIJYFAFFW-ABAIWWIYSA-N 301.350 -0.302 30 20 DBED N#Cc1cccnc1N1C[C@@H]2C(NC(=O)CNC(N)=O)[C@H]2C1 1093209365 BPZZIZOZNFAHON-UWVGGRQHSA-N 300.322 -0.828 30 20 DBED N#Cc1cnc(N2C[C@H]3C(NC(=O)CNC(N)=O)[C@@H]3C2)c(F)c1 1093212058 YVZVLEFJLJUCSK-RKDXNWHRSA-N 318.312 -0.689 30 20 DBED Cc1cc(C#N)nc(NCCNC(=O)c2ccc(=O)n(C)n2)n1 1093621271 DJTFBHBENFVACD-UHFFFAOYSA-N 313.321 -0.408 30 20 DBED N#Cc1nccnc1NCCNC(=O)COC[C@@H]1CCOC1 1093867190 RMNOSQWPHPTGLA-LLVKDONJSA-N 305.338 -0.071 30 20 DBED CN(CCCNC(=O)c1nccnc1N)c1ccc(C#N)nn1 1095516056 ISSBZNFLMWKFHA-UHFFFAOYSA-N 312.337 -0.023 30 20 DBED CN(CCCNC(=O)[C@@]1(C)CCNC1=O)c1cncc(C#N)n1 1095736402 UCEHFRITFMPZJG-OAHLLOKOSA-N 316.365 -0.183 30 20 DBED CCN(CCCNC(=O)CNC(N)=O)c1ccc(C#N)nn1 1095833845 CXKDKCODQYHHPM-UHFFFAOYSA-N 305.342 -0.651 30 20 DBED C[C@H](NC(N)=O)C(=O)N[C@@H]1CCN(c2ccncc2C#N)C1 1096355206 FYBVRURDAXUZNB-GXSJLCMTSA-N 302.338 -0.295 30 20 DBED CCc1nc(C#N)cc(N[C@H]2C[C@H](NC(=O)CNC(N)=O)C2)n1 1096983683 FPVPHOHGDZUGSC-KYZUINATSA-N 317.353 -0.362 30 20 DBED C=C(C)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1CC(=O)NC1=O 1098051857 XWDSCVPUOVNEOQ-UTUOFQBUSA-N 306.366 -0.164 30 20 DBED CC#CCN(CCO)C1CCN(C(=O)[C@H]2COC(=O)N2)CC1 1098358628 HANUKNCLNPRHHC-CYBMUJFWSA-N 309.366 -0.597 30 20 DBED COC(=O)NCC(=O)N1CC[C@@H](CNc2cncc(C#N)n2)C1 1098502769 IFQVTXYKDWMVOW-JTQLQIEISA-N 318.337 -0.035 30 20 DBED N#CCNCc1cn([C@@H]2CCN(C(=O)c3cn[nH]c3)C2)nn1 1098622260 DSFJZDKVPXWSTD-GFCCVEGCSA-N 300.326 -0.298 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)c2ocnc2C)[C@H](O)C1 1099755875 SUPQVKQCMWPRFP-VXGBXAGGSA-N 322.365 -0.550 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)c2cn(C)cn2)[C@@H](O)C1 1099769623 VHMYXYBHIIEUAB-JSGCOSHPSA-N 308.382 -0.212 30 20 DBED CN(CCNC(=O)c1cn(C)c(O)n1)c1ccc(C#N)nn1 1100302176 RKRADQNCFRWJJB-UHFFFAOYSA-N 301.310 -0.346 30 20 DBED C=CCNC(=O)CNC1CC(CNC(=O)[C@@H]2CCN(C)C2=O)C1 1100586035 LJLSLPWALUPAGF-BPCQOVAHSA-N 322.409 -0.749 30 20 DBED N#CCNC1CC(CNC(=O)CNC(=O)c2cccnc2)C1 1100695189 LLZNSRQYWYJDGX-UHFFFAOYSA-N 301.350 -0.181 30 20 DBED CCN(CCNC(=O)[C@H]1CC[C@@H]1C(N)=O)c1nccnc1C#N 1100695682 ZIQRCNYTTDSRRK-QWRGUYRKSA-N 316.365 -0.198 30 20 DBED CC(C)N(C)CC(=O)NCC1CC(NCC(=O)NCC#N)C1 1101039469 NFCLHGJLDWNNQH-UHFFFAOYSA-N 309.414 -0.549 30 20 DBED N#Cc1ccc(N(CCNC(=O)Cn2ncnn2)C2CC2)cn1 1101391226 PWAXIPKTGMIOEL-UHFFFAOYSA-N 312.337 -0.275 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)CC(=O)NC)c3nccn32)C1 1101624285 QQYIATDABDEOOH-GFCCVEGCSA-N 315.377 -0.386 30 20 DBED CCS(=O)(=O)CC(=O)N(C)CCNc1cnc(C#N)cn1 1101647020 GOYJICBAJFDEHH-UHFFFAOYSA-N 311.367 -0.347 30 20 DBED Cc1nsc(NCCN(C)C(=O)[C@@H]2CNC(=O)N2)c1C#N 1101921628 ZASHVKAEBPQMNV-VIFPVBQESA-N 308.367 -0.125 30 20 DBED CC(=O)NCC(=O)NCC[C@@H]1CCN(c2nccnc2C#N)C1 1102268792 SRRSNQUBKDFIEA-GFCCVEGCSA-N 316.365 -0.183 30 20 DBED CC(C)C#CC(=O)N1C[C@@H]2C[C@H]1CN2c1ccc2nnnn2n1 1102548773 NKOJHEWIZZRXEC-RYUDHWBXSA-N 311.349 -0.032 30 20 DBED N#Cc1cncc(NC[C@H]2CCCN2C(=O)CCNC(N)=O)n1 1103804390 KLOXGEJVHNVXJA-LLVKDONJSA-N 317.353 -0.190 30 20 DBED C#CCCNCc1cn(C2CN(C(=O)[C@@H](C)OCC#C)C2)nn1 1105240714 YVSAXYFCZNLGEF-CYBMUJFWSA-N 315.377 -0.187 30 20 DBED N#Cc1cnc(NC[C@@H](O)CNC(=O)c2ncccc2O)cn1 1105801666 BOKRDXVXRIOKIP-SNVBAGLBSA-N 314.305 -0.348 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H](O)CNC(=O)C12CCN(CC1)C2 1105918040 VGWGVWLNPJVJOZ-CYBMUJFWSA-N 315.377 -0.640 30 20 DBED CN(CC(=O)NC[C@H](O)CNc1cnc(C#N)cn1)C1CCC1 1106154512 KDYZJFVDWUQKIT-CYBMUJFWSA-N 318.381 -0.278 30 20 DBED N#CCN1CC(n2cc(CNC(=O)Cn3cccn3)nn2)C1 1107125144 MFTRRLHCHMIHFQ-UHFFFAOYSA-N 300.326 -0.829 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)[C@H]2CCS(=O)(=O)C2)C1 1108057707 JQSYECOWGMQCHL-GXTWGEPZSA-N 314.407 -0.739 30 20 DBED CC#CCN1CCO[C@@](C)(CNC(=O)[C@@]2(C)CCNC2=O)C1 1108211905 YPVSBFVXCABDRM-HOTGVXAUSA-N 307.394 -0.257 30 20 DBED C=CCNC(=O)CN1CC(N2C[C@H](NC(=O)CC)CC2=O)C1 1108494262 IYNJSUIEAAMZKU-LLVKDONJSA-N 308.382 -0.900 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC(C)(C)O)C2 1108671844 XLAGGNUNQWWKBW-IHRRRGAJSA-N 321.421 -0.134 30 20 DBED C[C@@H](CN(C)c1ccnc(C#N)n1)NC(=O)Cn1cnnc1O 1108944573 FUGHVMZNHYNAMT-VIFPVBQESA-N 316.325 -0.714 30 20 DBED C[C@@H](CN(C)c1cncc(C#N)n1)NC(=O)Cn1cnnc1O 1108944731 HEVZTVYIWJGFBG-VIFPVBQESA-N 316.325 -0.714 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cnco1 1109575070 KGGWSBFZNXKFGX-WOPDTQHZSA-N 302.334 -0.241 30 20 DBED CC(=O)N[C@H](C)C(=O)N[C@]1(C)CCN(c2cncc(C#N)n2)C1 1110716984 MYLYLGRMPFJKBW-MEBBXXQBSA-N 316.365 -0.042 30 20 DBED C=CCOCC(=O)N(C)[C@H]1CN(c2ccnc(C)n2)C[C@@H]1O 1111175795 UWHYGBCHOLCMBE-STQMWFEESA-N 306.366 -0.004 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1COCCN1c1cnc(C#N)cn1 1111663486 WSJTVNSWETUBIK-CMPLNLGQSA-N 300.322 -0.171 30 20 DBED COCC(=O)N(C)CC(=O)N[C@]12CCC[C@H]1CN(CC#N)C2 1111769871 AMWHYNMQAYSZSK-WFASDCNBSA-N 308.382 -0.415 30 20 DBED C=CCOCCN1CCN(C(=O)CCNS(C)(=O)=O)CC1 1112914837 HCKDUAWWWGGHNK-UHFFFAOYSA-N 319.427 -0.728 30 20 DBED C[C@H](NC(=O)CCn1cnnn1)[C@@H](C)Nc1cnc(C#N)cn1 1113125064 SPECVOPIGKGXGV-ZJUUUORDSA-N 315.341 -0.270 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CN(C)CCO1)N(C)c1nccnc1C#N 1113533617 IRSTWZZDBQYHJI-AAEUAGOBSA-N 318.381 -0.380 30 20 DBED Cc1ncoc1C(=O)NC1[C@H]2CN(CC(=O)NCC#N)C[C@H]12 1114101475 QFUSMSILTVHKRB-UWVGGRQHSA-N 303.322 -0.717 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)CC3(O)CCC3)[C@@H]2C1 1114239600 JDTBEQSOGVARRI-VXGBXAGGSA-N 307.394 -0.360 30 20 DBED C#CCO[C@H](C)C(=O)NC1[C@H]2CN(CCS(C)(=O)=O)C[C@H]12 1114271052 OKIXXXBEWCXRFM-WOPDTQHZSA-N 314.407 -0.884 30 20 DBED Cc1nn(C)c(C)c1OCC(=O)NC1[C@@H]2CN(CC#N)C[C@@H]12 1114291401 XYYQGKMUYRZOQJ-VXGBXAGGSA-N 303.366 -0.014 30 20 DBED CCN1CCOC[C@@H]1C(=O)NC1[C@H]2CN(CC#CCOC)C[C@H]12 1114495849 AHDHRYUCYGOJES-SOUVJXGZSA-N 321.421 -0.597 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)c3[nH]nnc3C)[C@@H]2C1 1114661881 ZPUXZCBAUCWFRA-HBNTYKKESA-N 318.381 -0.536 30 20 DBED N#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)C3(CF)CCC3)[C@H]2C1 1114865047 OJNGWGUDYYBVJF-PJXYFTJBSA-N 308.357 -0.188 30 20 DBED CN(C)CCCCC(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1115145442 HIEVPOQYWPJZOH-VIKVFOODSA-N 321.425 -0.596 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)N[C@H]1[C@@H]2CN(CC#N)C[C@@H]21 1115296029 JZXLZMOBMMNGHA-GDNZZTSVSA-N 305.382 -0.180 30 20 DBED C#C[C@@H](NC(=O)C(=O)Nc1cnn(CC(=O)NC)c1)C(C)C 1116907317 AXUOZHMNFCRFAA-LLVKDONJSA-N 305.338 -0.658 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)c2cccc(O)c2)CC1 1119113317 MIRQWKUORBIMTC-UHFFFAOYSA-N 323.374 -0.382 30 20 DBED CC(=O)N[C@H](C)C(=O)NC[C@H](CO)Nc1nc(C)ccc1C#N 1121010128 LHJFSTUOJHXYLB-ZWNOBZJWSA-N 319.365 -0.325 30 20 DBED N#Cc1cccnc1N[C@@H](CO)CNC(=O)CC1OCCCO1 1121359563 KBEGEPWUASAHEL-GFCCVEGCSA-N 320.349 -0.005 30 20 DBED N#Cc1nc(=N[C@@H](CO)CNC(=O)c2ccsn2)cc[nH]1 1122163564 FAKKJRWUEWGSHT-MRVPVSSYSA-N 304.335 -0.571 30 20 DBED Cc1cnn(C)c1C(=O)NC[C@H](CO)Nc1ccc(C#N)nn1 1122342369 PCDFJHCRIHFCTG-LLVKDONJSA-N 315.337 -0.407 30 20 DBED Cc1ccc(C#N)c(N[C@@H](CO)CNC(=O)[C@H](C)CC(N)=O)n1 1122358072 YJSLYJJJXKMXKN-BXKDBHETSA-N 319.365 -0.338 30 20 DBED Cc1nn[nH]c1C(=O)NC[C@@H](CO)Nc1snc(C)c1C#N 1122384954 HQFPZTPAARGABS-QMMMGPOBSA-N 321.366 -0.047 30 20 DBED C[C@H]1CCCN1CC(=O)NC[C@H](CO)Nc1ccc(C#N)nn1 1122525247 BECKDCGVSBUKRI-WCQYABFASA-N 318.381 -0.278 30 20 DBED C#CCN1CCN(c2nnc(CCO)n2CCCOCC)CC1 1122610597 BCLRXAJSFYLWSM-UHFFFAOYSA-N 321.425 -0.005 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)[C@H]1CCCO1 1123159826 YRYKGRHTYVQTTI-GHMZBOCLSA-N 312.370 -0.729 30 20 DBED Cc1nc(NC[C@@H](O)CN(C)C(=O)[C@@H](C)C#N)nc(N(C)C)n1 1124190224 FEKDJGVGGSLKMM-GXSJLCMTSA-N 321.385 -0.363 30 20 DBED CN(C[C@H](O)CNc1ccc(C#N)cn1)C(=O)c1cnnn1C 1124271596 MPMUPVZNCZNHCW-LLVKDONJSA-N 315.337 -0.373 30 20 DBED CC[C@H](C(=O)N(C)C[C@@H](O)CNc1cncc(C#N)n1)N(C)C 1124453936 INKAWODOADUFBR-QWHCGFSZSA-N 320.397 -0.080 30 20 DBED C#CCOCCC(=O)N(C)C[C@H](O)CN=c1cc[nH]cc1C#N 1124519131 IQWVTULTULPSGA-CQSZACIVSA-N 316.361 -0.354 30 20 DBED C=CCOCC(=O)NCCNCC[C@H]1CCS(=O)(=O)C1 1124765209 OMVNOZWOJQCMRO-LBPRGKRZSA-N 304.412 -0.280 30 20 DBED C#CCCCCC(=O)NCCNC[C@@H](O)CN1C(=O)CCC1=O 1125944486 CTDIQAANDRFVCT-CYBMUJFWSA-N 323.393 -0.604 30 20 DBED COC[C@H](OC)C(=O)NCc1cnn2c1CN(CC#N)CC2 1128476733 ZQZZJHOISUEKLG-ZDUSSCGKSA-N 307.354 -0.500 30 20 DBED C#CCC1(C(=O)NCCNCC(=O)NC2CC2)CCOCC1 1129117050 PUMIGYGSKZKTMX-UHFFFAOYSA-N 307.394 -0.209 30 20 DBED CC#CCN[C@@H]1CN(C(=O)CNC(=O)CC)C[C@@H]1n1ccnn1 1129685948 VNBZZFXEITXBJH-OLZOCXBDSA-N 318.381 -0.831 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)[C@@H]1C[C@H]2C=C[C@H]1O2 1130470057 FUIZILJREMAVMG-MGPQQGTHSA-N 320.393 -0.202 30 20 DBED C#CCNC(=O)CN1C[C@H]2C[C@@H]3CN(C(=O)C4CC4)C[C@@]3(C1)O2 1131168288 YTWHJVCLPBCORJ-CKEIUWERSA-N 317.389 -0.553 30 20 DBED C[C@H]1CC[C@@H](NC(=O)c2ncn(C)n2)CN1CC(=O)NCC#N 1132001583 AZAUZSAJXLADJD-WDEREUQCSA-N 319.369 -0.962 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)c2cn[nH]c2)CC[C@H]1C 1132658751 KJFRAVNVKWCRKK-TZMCWYRMSA-N 317.393 -0.153 30 20 DBED C#CCNC[C@H]1CN(C(=O)CN2CCOCC2=O)CC[C@@H]1C 1132900563 FVSNBDDUJSOIEU-KBPBESRZSA-N 307.394 -0.447 30 20 DBED C=CCNC[C@@H]1CN(C(=O)c2cn(CC(N)=O)nn2)CC[C@H]1C 1133336551 CDXQNKFVMHTKES-VXGBXAGGSA-N 320.397 -0.363 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)c2cc(C(N)=O)co2)C1=O 1133711937 CHDRDRWESIGTNN-NSHDSACASA-N 320.349 -0.515 30 20 DBED C[C@H](C[C@@H](C)NC(=O)c1ccc(C#N)[nH]1)NCC(=O)NC(N)=O 1134157068 URTFQJJGNCSCNV-RKDXNWHRSA-N 320.353 -0.432 30 20 DBED C=C(C)CN[C@H](C)C[C@H](C)NC(=O)CNC(=O)Cn1cncn1 1146560927 FBHJCFVSXFAXOM-OLZOCXBDSA-N 322.413 -0.157 30 20 DBED CC(=O)NCCOCCN1CCC2(C1)CN(C(=O)[C@H](C)C#N)C2 1147225028 GHBUITIHPQEABR-CYBMUJFWSA-N 322.409 -0.167 30 20 DBED C=C(Cl)CNCCNC(=O)c1nc(O)nc(O)c1OC 1147697368 AIHOHTRBGSQHBJ-UHFFFAOYSA-N 302.718 -0.032 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)C1(C(=O)NC)CCC1 1148628679 IKSOFARTUUVTLX-LLVKDONJSA-N 310.398 -0.701 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@@H]1COc2ccccc2O1 1149843903 JCEOWNIYOUNBLA-AWEZNQCLSA-N 319.361 -0.166 30 20 DBED Cc1csc(=O)n1CC(=O)NC[C@@H]1CN(CC#N)CCCO1 1150707159 UKIHGXOJIOCMQE-GFCCVEGCSA-N 324.406 -0.051 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)c1cc(OC)ncn1 1158188531 GRVRXYCZZAPXPV-LLVKDONJSA-N 319.365 -0.667 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)[C@@]2(C)CNC(=O)C2)C1=O 1163080615 KYAKRMOYIYGHGB-BLLLJJGKSA-N 322.409 -0.605 30 20 DBED C=CCn1cc(C(=O)NCCCNCC(=O)NCCC)nn1 1167839422 ZPQVWPQZCQXZDL-UHFFFAOYSA-N 308.386 -0.300 30 20 DBED C#CCNCCCC[C@@H](C)NC(=O)CCNS(C)(=O)=O 1171075975 FKCYPCISQGGCIX-GFCCVEGCSA-N 303.428 -0.177 30 20 DBED C=CCOCCN[C@H]1CCN(C(=O)CS(C)(=O)=O)[C@H]1C 1178234455 PGZGDHWNUHWQNP-RYUDHWBXSA-N 304.412 -0.187 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)CC(=O)NCC)[C@H]1C 1178512221 LAMWJBYKMWOODP-AGIUHOORSA-N 324.425 -0.218 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2cc[n+]([O-])cc2)C1 1180780498 PTIMSDZKMURGFK-TZMCWYRMSA-N 316.361 -0.738 30 20 DBED Cc1noc(CCC(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)n1 1184730791 ITXWBRIAQPPFRZ-LLVKDONJSA-N 320.353 -0.859 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)COCCC=C)C1 1188301483 FINPRSUKGWXABL-ZIAGYGMSSA-N 307.394 -0.093 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)/C=C\C2CC2)C1 1192069963 IXYIFYSLGITKHK-PATPMRNOSA-N 307.394 -0.195 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(Cc2cnc(C)o2)C[C@H]1O 1192531287 ULFCHHXCNVBWCI-UMVBOHGHSA-N 309.366 -0.029 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)NC(=O)c2ccoc2)C1 1193168027 ZFECWZNWFOOVCE-RAIGVLPGSA-N 307.350 -0.255 30 20 DBED COCC#CCN(C)[C@H]1CCN(C(=O)[C@@H]2CCCN2C(N)=O)C1 1194470245 AYDSGIBQWCUFAR-KBPBESRZSA-N 322.409 -0.288 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCCN(C(=O)[C@H]2COC(=O)N2)CC1 1195717402 OLMJRTHSOBDLJM-VXGBXAGGSA-N 324.381 -0.680 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)CN2CC[C@@H](C)C2)C1 1196169085 NURTWGWCNYEZRB-RBSFLKMASA-N 311.426 -0.308 30 20 DBED C#CCCNC[C@H]1CN(C(=O)c2cn(C)c(O)n2)CCCO1 1201318248 MMKYUDOKAFIJPQ-LBPRGKRZSA-N 306.366 -0.030 30 20 DBED CNS(=O)(=O)CC(=O)N[C@H]1C[C@@H](NCC#N)C12CCC2 1203742410 NFBFNICTLWUPTQ-ZJUUUORDSA-N 300.384 -0.924 30 20 DBED C=CCNC1CCN(C(=O)CNC(=O)Cn2cncn2)CC1 1203877455 WAYLYDRFEGXJCC-UHFFFAOYSA-N 306.370 -0.839 30 20 DBED C=CCN1CC[C@@H](N[C@H]2CCCN(C(=O)CNC(C)=O)C2)C1=O 1207116272 JQQFQHHXHUOUNB-UONOGXRCSA-N 322.409 -0.510 30 20 DBED Cc1[nH]nc(C(=O)N2CCC[C@H](NCC(=O)NCC#N)C2)c1C 1207722126 PUSSWHXSOLMISG-LBPRGKRZSA-N 318.381 -0.139 30 20 DBED CCN1CCOC[C@@H]1C(=O)N[C@@H]1CN(CC#CCOC)C[C@H]1C 1207784279 HVQFJNIMYVKIFQ-BZUAXINKSA-N 323.437 -0.207 30 20 DBED Cc1[nH]nc(C(=O)N2CCC[C@@H](NCC(=O)NCC#N)C2)c1O 1207806378 CNWYDHFSJVHXNU-SNVBAGLBSA-N 320.353 -0.742 30 20 DBED C=CCNC(=O)[C@H](C)N[C@H]1CCCN(C(=O)c2[nH]nnc2C)C1 1208908883 BMHDMVFMIZDNEY-RYUDHWBXSA-N 320.397 -0.002 30 20 DBED Cc1nonc1CC(=O)N1CCC[C@H](NCC(=O)NCC#N)C1 1210411038 CNUSTBMIPSAONP-NSHDSACASA-N 320.353 -0.859 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)C(N)=O)C[C@H]1c1ccccc1 1211661464 AFNDAOQQMCHLKE-LSDHHAIUSA-N 315.373 -0.294 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(Cc2cnn(CC)n2)C[C@H]1OC 1212032312 VFHARFLSLSDUND-ZIAGYGMSSA-N 323.397 -0.184 30 20 DBED CCCCNC(=O)CN1C[C@@H](NC(=O)[C@@H](C)C#N)[C@H](OC)C1 1212039744 RFUOAVMNBIDHHK-YNEHKIRRSA-N 310.398 -0.122 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(CCOCCO)C[C@H]1OC 1212194215 PTNNCCRXUUNDOB-UMVBOHGHSA-N 316.398 -0.862 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H](CCCC)NC(N)=O 1219068947 RANWZWLWLKDWOA-HZSPNIEDSA-N 322.409 -0.242 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2nocc2C)C[C@@H]1O 1219605620 XUUBOOOWUJPTME-BNOWGMLFSA-N 307.350 -0.317 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@H](CC)N2CCCC2=O)C1 1221009616 DMPXTGUZVKERBT-RDBSUJKOSA-N 307.394 -0.428 30 20 DBED C=C[C@@](C)(O)CC(=O)N1C[C@H]2CCN(CCOCCO)C[C@H]21 1221518122 UKXKHWHLWWWHBG-IIAWOOMASA-N 312.410 -0.145 30 20 DBED CO[C@@H](C(=O)N1C[C@H]2CCN(CC(=O)NCC#N)C[C@H]21)C(C)C 1221789991 BQOGBOGDUVRVMK-UMVBOHGHSA-N 322.409 -0.170 30 20 DBED N#CCN1CC[C@@H]2CN(C(=O)CNC(=O)C3CCOCC3)[C@@H]2C1 1221877733 GBKJHURVZRABPW-ZIAGYGMSSA-N 320.393 -0.415 30 20 DBED CCC[C@H](C(=O)N[C@@H]1CCCC[C@H]1NCC#N)S(N)(=O)=O 1227727318 DPMRJFLMCCFUSJ-IJLUTSLNSA-N 316.427 -0.016 30 20 DBED C#CCNC(=O)CC(=O)N(C)C[C@@H]1CCN1CCC[C@H](C)O 1233808916 FDLGZCPVQKYRBM-KBPBESRZSA-N 309.410 -0.180 30 20 DBED C=C[C@@](C)(O)CC(=O)N(C)C[C@@H]1CCN1Cc1nnn(C)n1 1233978095 RAIKQUQESZIQCY-SMDDNHRTSA-N 308.386 -0.430 30 20 DBED CN(CCCNC(=O)CCn1cccn1)CC(=O)NCC#N 1234099346 FTBAGLQXMGNONR-UHFFFAOYSA-N 306.370 -0.649 30 20 DBED C#CCNC(=O)[C@H](C)N(C)CCCNC(=O)CN(C)C(C)=O 1234181537 WKUVASFLWOLHBR-LBPRGKRZSA-N 310.398 -0.959 30 20 DBED C[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](C#N)C2)C[C@H](C2CC2)O1 1261323112 WJMUUNOFJNPTBH-RAIGVLPGSA-N 307.350 -0.237 30 20 DBED C#CCNC(=O)C1CCN(C(=O)c2cccn3nnnc23)CC1 1262172426 YKWMAOCALSYRGW-UHFFFAOYSA-N 312.333 -0.274 30 20 DBED C=CCNC(=O)CN1CCC[C@@H](NC(=O)[C@H](C)CC(N)=O)C1 1265219737 BCCKTFGSLUDQOZ-VXGBXAGGSA-N 310.398 -0.619 30 20 DBED C=CCn1cnnc1Sc1c(C#N)c(=O)n(C)c(=O)n1C 1317772426 ORUPXAZNQFVXDN-UHFFFAOYSA-N 304.335 -0.116 30 20 DBED Cc1cc(NC(=O)C(=O)NC[C@@H](O)C2CC2)nn1CCC#N 1319784993 WZWVGEDPDGCADI-LLVKDONJSA-N 305.338 -0.069 30 20 DBED COCCCN(C)CCNC(=O)C(=O)N1CC[C@@](F)(C#N)C1 1323075204 VQQAWRUMTJVNTF-CQSZACIVSA-N 314.361 -0.465 30 20 DBED CN(C)C(=O)CCNC(=O)C(=O)NCC#Cc1ccccc1 1323285425 XDBWDHRIYRQQKI-UHFFFAOYSA-N 301.346 -0.251 30 20 DBED C=CCN(C(=O)CO[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1323525688 JORAJXMSZOKMGS-NWDGAFQWSA-N 303.380 -0.006 30 20 DBED CC#CCCNC(=O)C(=O)NC[C@H]1CC[C@H](C(=O)N(C)C)O1 1324403522 LKAIQUJZNIOHIC-VXGBXAGGSA-N 309.366 -0.732 30 20 DBED C[C@H](CNC(=O)C(=O)N1CC[C@](O)(CC#N)C1)N1CCCCC1 1326079682 SNMSBPUMMQSSQF-CZUORRHYSA-N 322.409 -0.146 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N[C@H]2CC[C@@H](C(=O)O)C2)nn1 1326242904 YFLZDCPFOGGFEU-ZJUUUORDSA-N 321.337 -0.550 30 20 DBED COc1cncc(NC(=O)C(=O)N2CC[C@](O)(CC#N)C2)n1 1326518586 KGEYEDNKKSYIGO-CYBMUJFWSA-N 305.294 -0.699 30 20 DBED C#CCCCCNC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 1326756934 LJWIRQSRUQXEOT-UHFFFAOYSA-N 307.310 -0.173 30 20 DBED N#CCNC(=O)CNC(=O)c1ccc(N2CCNC2=O)cc1 1327013111 HXOWIFRIEFBZIV-UHFFFAOYSA-N 301.306 -0.414 30 20 DBED C#Cc1cncc(C(=O)NN2C(=O)[C@H]3[C@H]4C=C[C@@H](O4)[C@@H]3C2=O)c1 1329881261 JXZWIVUNGOCDNC-NDBYEHHHSA-N 309.281 -0.354 30 20 DBED C=CCCOCCn1nnnc1N(C)CCNC(=O)N(C)C 1334174891 QJZLQWJLJPUWKJ-UHFFFAOYSA-N 311.390 -0.027 30 20 DBED C#CCOCCn1nnnc1N1CCC2(CCNC2=O)CC1 1334468576 GECVSSWLJMJWAD-UHFFFAOYSA-N 304.354 -0.571 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(C)nc(O)n2)C1=O 1337239349 OJZCMQHXUVOMPY-UHFFFAOYSA-N 319.277 -0.594 30 20 DBED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1cc(C)c(=O)n(C)c1 1339865098 MWSVPOJBYLWSHX-GFCCVEGCSA-N 305.334 -0.477 30 20 DBED C[C@H]1CN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)C[C@@H](C)O1 1351768990 QRYBYKMOWJANJY-MBNYWOFBSA-N 320.393 -0.179 30 20 DBED COC(=O)C1(C#N)CCN(C(=O)c2cn(C)c(=O)nc2O)CC1 1361649886 HMMFZIIJIZLQHV-UHFFFAOYSA-N 320.305 -0.595 30 20 DBED N#CC1CCN(C(=O)C2CCN(S(N)(=O)=O)CC2)CC1 1362171982 GUJKPSKTHZTVLH-UHFFFAOYSA-N 300.384 -0.336 30 20 DBED CCN(CCC(=O)NC)C(=O)CCn1cc(C#N)c(O)nc1=O 1363653906 RFIUNWHSYQYHMF-UHFFFAOYSA-N 321.337 -0.805 30 20 DBED C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)NCC1(C#N)CCOCC1 1363698712 VANVOASTJJBTTA-CMPLNLGQSA-N 309.366 -0.301 30 20 DBED N#CCC1(CN2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)CC1 1364375422 KROZJNLHGRWKAW-STQMWFEESA-N 313.423 -0.544 30 20 DBED Cn1cnnc1[C@H]1CCN(c2[nH]c(=O)n(C)c(=O)c2C#N)C1 1364589635 XOGUKKGTWBDBEY-QMMMGPOBSA-N 301.310 -0.932 30 20 DBED CC[C@H](OC)C(=O)NCCN1CCN(C(=O)[C@@H](C)C#N)CC1 1372209302 NDJDFEUBFJDGKP-STQMWFEESA-N 310.398 -0.169 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]1CN(C)C(=O)CCc1nc[nH]n1 1396478225 OKAHXJWLHUGIAY-WDEREUQCSA-N 304.354 -0.044 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)C1CCN(C(=O)[C@H]2CCOC2)CC1 1396622668 FFLVYEQREFURJX-STQMWFEESA-N 323.393 -0.006 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1C[C@@H](NCc2nnc3n2CCOC3)C1 1397575331 SQOVPZKZBGWKBS-SDDRHHMPSA-N 318.381 -0.048 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C(=O)[C@H](C)S(C)(=O)=O)C1CC1 1398362472 CJFKCGWXJPVFLR-UWVGGRQHSA-N 315.395 -0.314 30 20 DBED C=C(Cl)CNC[C@@H]1CCCN1C(=O)CS(=O)(=O)NC 1407105168 CXLQJBXEIZKCHU-JTQLQIEISA-N 309.819 -0.131 30 20 DBED CC(=O)N[C@H](C)C(=O)N[C@H]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 1407795848 NOEURHOOVHEKKS-GGZOMVNGSA-N 317.349 -0.212 30 20 DBED N#Cc1cn(CC(=O)NCCc2cscn2)c(=O)nc1O 1411895942 ACFICYPBLGQEIV-UHFFFAOYSA-N 305.319 -0.364 30 20 DBED CCC(=O)NCC(=O)N1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 1414499175 XCCIDGVNSJABEZ-UHFFFAOYSA-N 317.349 -0.303 30 20 DBED COC[C@H](OC)C(=O)N[C@H](C)CNC(=O)c1cc(C#N)c[nH]1 1415140527 ITVFPYHKUZWWME-SKDRFNHKSA-N 308.338 -0.218 30 20 DBED CCOC[C@H]1CN(C(=O)Cn2cc(C#N)c(O)nc2=O)CCO1 1418887073 SFHTWNYYIRVAPI-LLVKDONJSA-N 322.321 -0.916 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)c2ccc(C(N)=O)nc2)C1 1428223504 SIHUFJOXEPLAQZ-FBIMIBRVSA-N 315.333 -0.283 30 20 DBED CNC(=O)NCCC(=O)NC[C@H](NC(=O)[C@H](C)C#N)C(C)C 1433093521 OOVXZMXLIOAVEW-MNOVXSKESA-N 311.386 -0.278 30 20 DBED CCCn1cc(C(=O)NCCn2cc(C#N)c(O)nc2=O)nn1 1453843581 PKOXBGPLYHPAMB-UHFFFAOYSA-N 317.309 -0.748 30 20 DBED N#CC1(CNC(=O)[C@H]2CCc3nnc(O)n3C2)CCOCC1 1457109990 MBHNFFIWUIVJLK-JTQLQIEISA-N 305.338 -0.017 30 20 DBED C[C@H]1CN(C(=O)CN(C)CCN(C)C(=O)[C@@H](C)C#N)CCO1 1482586708 PQDKCJXLLOCYEP-STQMWFEESA-N 310.398 -0.216 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CCCN1C(=O)CN1CCCC1=O 1499886069 KMFCVQHAPKBIER-NWDGAFQWSA-N 306.366 -0.124 30 20 DBED CCO[C@H](C)C(=O)NC[C@@H](O)CN(C)C(=O)c1cc(C#N)c[nH]1 1511516593 RVQVBMONENBQCD-ZYHUDNBSSA-N 322.365 -0.140 30 20 DBED C[C@H](C#N)C(=O)NC1CCN(C(=O)[C@@H]2CCCN2C(N)=O)CC1 1523227220 QVNZOUMWFVHRGM-PWSUYJOCSA-N 321.381 -0.204 30 20 DBED C=C(CCC(=O)OC)C(=O)N(CCC(=O)OC)CC(=O)O 1573329325 DHJCWMOZVDHHGY-UHFFFAOYSA-N 301.295 -0.028 30 20 DBED C[C@@H](CN(C)c1ccc(-c2nn[nH]n2)nn1)NC(=O)[C@H](C)C#N 1574793094 WLDLAXOQCNAGKL-BDAKNGLRSA-N 315.341 -0.243 30 20 DBED CC#CC[C@@H](N)C(=O)N1CCN(c2nc(C)cc(O)n2)CC1 1574962647 NLITULLLNCGZKP-GFCCVEGCSA-N 303.366 -0.120 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCCCN(CC(=O)O)C2=O)nn1 1588474735 OBYMUNTYEUTVIR-JTQLQIEISA-N 321.337 -0.340 30 20 DBED C=CCOC[C@H](NC(=O)Cn1nc2n(c1=O)CCCC2)C(=O)O 1588856040 AAHBPFDQZKOLAD-JTQLQIEISA-N 324.337 -0.847 30 20 DBED C=CCOCCCNC(=O)C(=O)N1CCO[C@H](CC(=O)O)C1 1588866786 QFPONBXHDFJEJY-LLVKDONJSA-N 314.338 -0.603 30 20 DBED N#C[C@H]1C[C@H]1C(=O)Nc1nc2n(c1-c1nn[nH]n1)CCOC2 1592680962 BSLRCXWOPLOMSQ-RNFRBKRXSA-N 300.282 -0.308 30 20 DBED C#CCN(CC(=O)O)C(=O)C(=O)Nc1ccc(OC)nc1OC 1602678749 DYIZBQVYXXCRCD-UHFFFAOYSA-N 321.289 -0.416 30 20 DBED N#Cc1cccc(S(=O)(=O)NCC(=O)NCCC(=O)O)c1 1605620002 QTHWKOXHZNFCDS-UHFFFAOYSA-N 311.319 -0.573 30 20 DBED Cc1nnc(S[C@H](C)C(=O)N(C)CCC#N)n1CC(N)=O 1649696241 BLXQXQYEDXHNTA-MRVPVSSYSA-N 310.383 -0.076 30 20 DBED C=CCNC(=O)NC(=O)CNC[C@@H]1CCN(C(=O)COC)C1 1752927908 YDINGKDOIFINQN-NSHDSACASA-N 312.370 -0.917 30 20 DBED CC(C)(O)CC(=O)N[C@@H]1CCC[C@@H](NCC(=O)NCC#N)C1 1752966299 ADXOTYJYROFSJH-VXGBXAGGSA-N 310.398 -0.196 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)C[C@@H]1CCN(C(=O)COCC)C1 1753346862 NWCDYIXHAPYBPG-KGLIPLIRSA-N 309.410 -0.059 30 20 DBED C=CCNC[C@@H](O)CNC(=O)[C@H]1CCCN(C(=O)C2CC2)C1 1753918679 ABAIIEWKIUHWBJ-UONOGXRCSA-N 309.410 -0.112 30 20 DBED C#CCNC(=O)[C@H](C)NC/C=C\CNC(=O)c1ccc(O)nc1 1754201626 IBRPWYUEGYQHIW-RXNFCKPNSA-N 316.361 -0.199 30 20 DBED COCC#CCNCCCN(C)C(=O)[C@H](C)[C@@H]1CCC(=O)N1 1754396500 QIZZHWXXVFWWPR-KGLIPLIRSA-N 309.410 -0.011 30 20 DBED C#CCNC(=O)CN1CC[C@@](C)(NC(=O)Cc2cnc[nH]2)C1 1754680658 QXEMNKXFWGHTHH-OAHLLOKOSA-N 303.366 -0.718 30 20 DBED C#CCN1CC[C@@](O)(CNC(=O)[C@@H](NC(C)=O)C2CCCC2)C1 1754753307 YNGKULPBLZWFFV-DOTOQJQBSA-N 321.421 -0.133 30 20 DBED N#CCNC(=O)CN1CCOC[C@H]1CNC(=O)c1ccncc1 1754962994 VVCCFIXTNJCNGC-CYBMUJFWSA-N 317.349 -0.848 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@H](C)CNC(=O)Cc1n[nH]c(C)n1 1755299905 IPRGSMYFWYYFGC-GHMZBOCLSA-N 320.397 -0.770 30 20 DBED C=CCOCC(=O)N1CCO[C@H]([C@@H](C)NCc2cnon2)C1 1755439669 RXILYSVZRMBPRU-YPMHNXCESA-N 310.354 -0.022 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H](C)CN(C)C(=O)c1cnnn1C 1755584802 DQYNOLOFTNZJLU-WDEREUQCSA-N 308.386 -0.444 30 20 DBED COCC#CCN[C@H](CO)CNC(=O)c1cc(C2CC2)no1 1755641268 YKIXRVQDPOQHDY-LBPRGKRZSA-N 307.350 -0.118 30 20 DBED COCC#CCNC1CC(N(C)C(=O)c2cc(=O)n(C)cn2)C1 1755857592 UHOIRFLFABUPFK-UHFFFAOYSA-N 318.377 -0.377 30 20 DBED CNS(=O)(=O)CC(=O)NC1(C2CCN(CC#N)CC2)CC1 1755869616 LRTHOETUPWSOIN-UHFFFAOYSA-N 314.411 -0.580 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(CCO)(NC(=O)[C@H](F)CC)C1 1756087103 VXVCELDYCXEGOU-NWDGAFQWSA-N 314.357 -0.148 30 20 DBED Cn1ncc(C(=O)O)c1C=NNc1nc(O)c2cnn(C)c2n1 1776043966 TXDZOEVUMSGWKS-UHFFFAOYSA-N 316.281 -0.053 30 20 DBED COCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)C#N)C2 1795199751 WFPBWBANMCSYIB-PTEHBNRSSA-N 309.366 -0.228 30 20 DBED C[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)CN)C2 1800983934 AVHTVNOFCVPEGI-NGDQXYMTSA-N 315.439 -0.511 30 20 DBED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1802024682 SIBQZUFMNAYHGW-DRXBFXEBSA-N 318.329 -0.923 30 20 DBED C[C@@H]1CC[C@H](C(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)O1 1843882533 NUSGUMUFQNPDHR-VXGBXAGGSA-N 320.345 -0.155 30 20 DBED CC(C)N1C(=O)C(=O)N(CC(=O)N[C@](C)(C#N)C2CC2)C1=O 5365485 KBGXBZREFYVZDF-CQSZACIVSA-N 306.322 -0.006 30 20 DBED CC[C@@H](CC#N)NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 54178791 WQCKCDXLQNKUKN-QMMMGPOBSA-N 300.340 -0.945 30 20 DBED CN(C)c1nc(N)nc(CO/N=C(/N)Cc2cccnc2)n1 92914474 MJAAOIRGJVQOBM-UHFFFAOYSA-N 302.342 -0.054 30 20 DBED CC/N=C(/NC[C@@]1(O)CCSC1)N1CCN(C(C)=O)CC1 262385710 LEXHGGANEPIMGY-AWEZNQCLSA-N 314.455 -0.016 30 20 DBED Cc1ccc(C#N)cc1S(=O)(=O)NCCN1C(=O)CNC1=O 265134082 NXOLTUKRMJMCBT-UHFFFAOYSA-N 322.346 -0.303 30 20 DBED C[C@@H](CN1CCN(C)CC1)NS(=O)(=O)c1cccnc1C#N 277083713 UWKRUSZGJCUDJA-LBPRGKRZSA-N 323.422 -0.133 30 20 DBED C=CCn1c(S(=O)(=O)[C@H](C)C(=O)NCCCC)n[nH]c1=O 283844326 FQYULXVODMOFMW-SECBINFHSA-N 316.383 -0.164 30 20 DBED C=C[C@@H](CO)NC(=O)N[C@@H]1CCCN(c2nccn(C)c2=O)C1 291599913 QNDWZMYCZKONGW-NWDGAFQWSA-N 321.381 -0.405 30 20 DBED C[C@H](CN1CCOCC1)/N=C(/O)N1CCN2CCOC[C@H]2C1 329863913 ZMMRUESUZZJOKC-ZIAGYGMSSA-N 312.414 -0.363 30 20 DBED O=C1C[C@@H](/N=C(/O)CN2CCCS2(=O)=O)CN1C1CC1 330053148 QAQSVUJSORQMCK-SECBINFHSA-N 301.368 -0.258 30 20 DBED C=CCN1CC[C@@H](N(C)S(=O)(=O)N(C)CCC#N)C1=O 330810891 JZZDBTGHDUPJJB-LLVKDONJSA-N 300.384 -0.205 30 20 DBED C[C@@H](CS(C)(=O)=O)/N=C(/O)N1CCN(CC(C)(C)O)CC1 330984669 PKIWRAUVWZIMQY-NSHDSACASA-N 321.443 -0.278 30 20 DBED CN(C[C@H](O)C(F)(F)F)S(=O)(=O)N1CCO[C@H](C#N)C1 336898072 UOSDEMJFWJXUFH-SFYZADRCSA-N 317.289 -0.689 30 20 DBED COC(=O)C[C@@H]1CCCN1S(=O)(=O)N1CCO[C@H](C#N)C1 336931324 BOUASUKCQPWBIF-WDEREUQCSA-N 317.367 -0.517 30 20 DBED CC(C)[C@@H](NS(=O)(=O)N1CCO[C@H](C#N)C1)C(C)(C)O 337161861 VCULABUOTVUUKD-GHMZBOCLSA-N 305.400 -0.159 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1CC(=O)N(C2CC2)C1 337173620 HHMAEUOOKGOGHR-UHFFFAOYSA-N 316.383 -0.643 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N[C@@H](CO)C1CCOCC1 337781946 UJKXSIAXWKGTES-PWSUYJOCSA-N 305.400 -0.158 30 20 DBED O=C(NCC#CCO)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 347970133 WIOFVUAMKAEHCI-UHFFFAOYSA-N 301.262 -0.099 30 20 DBED CCN(C)S(=O)(=O)CCCS(=O)(=O)N(C)[C@@H](C)C#N 349536945 YQRIZGFAVVJHGH-JTQLQIEISA-N 311.429 -0.168 30 20 DBED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2C[C@H](O)C[C@@H]2C)n1 351049089 AXTDXXUPDJIQKI-GXSJLCMTSA-N 305.338 0.256 30 20 DBED C[C@@H](Nc1c(C#N)c(=O)n(C)c(=O)n1C)c1nnc2n1CCC2 351826200 FKEWAKHSSWRVQC-MRVPVSSYSA-N 315.337 -0.334 30 20 DBED C=C(C)COCCNC(=O)NCCN1CCCS1(=O)=O 354458506 GLRFPLAZHBQNAL-UHFFFAOYSA-N 305.400 -0.086 30 20 DBED N#Cc1ccc(S(=O)(=O)NCC(=O)NCC2(O)CCC2)cc1 354644555 QYTQSPWPGDOZHS-UHFFFAOYSA-N 323.374 -0.132 30 20 DBED C=C[C@H](CO)NC(=O)C(=O)Nc1ccc(OCCOC)nc1 354681815 UMNMNBZLQVZXJZ-SNVBAGLBSA-N 309.322 -0.292 30 20 DBED C=CCOC[C@@H](NC(=O)[C@@H]1CCCCS1(=O)=O)C(=O)OC 360723735 WDFXIGHDWRMPJK-MNOVXSKESA-N 319.379 -0.186 30 20 DBED Cn1c(N2C[C@@H]3[C@H]4CC[C@@H](O4)[C@H]3C2)c(C#N)c(=O)n(C)c1=O 374069762 ZSIGGPYFTZXEQZ-NNYUYHANSA-N 302.334 -0.431 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N1CC[C@@H]2COC(=O)N[C@H]2C1 375962654 QDJLTMYQBZVGJU-MXWKQRLJSA-N 316.383 -0.105 30 20 DBED CC(=O)NC[C@H]1CCCN(c2c(C#N)c(=O)n(C)c(=O)n2C)C1 408110542 RHQJCBFJESSOHA-LLVKDONJSA-N 319.365 -0.692 30 20 DBED C=CCN(C)C(=O)C(=O)N1CCN(S(=O)(=O)CC)CC1 459905328 HFZBMGIIMLTVGG-UHFFFAOYSA-N 303.384 -0.875 30 20 DBED C=CCNC(=O)NC(=O)CN1CC(=O)N(CC(F)(F)F)C1 488172188 AFNMRZAEIJAGHV-UHFFFAOYSA-N 308.260 -0.338 30 20 DBED C#CCNC(=O)CN1CCN(Cc2nc(CCC)no2)CC1 491126745 RSBUVXQAZODOTJ-UHFFFAOYSA-N 305.382 -0.111 30 20 DBED C#CCN1CCC(C(=O)NC[C@H](O)COCCOCC)CC1 491523187 BZAHLRMSVUSZLN-HNNXBMFYSA-N 312.410 -0.138 30 20 DBED CCNC(=O)Cn1cc(CN2CCOCC2)cc(C#N)c1=O 517068952 GPDDSMXSMRFUGZ-UHFFFAOYSA-N 304.350 -0.312 30 20 DBED CC(C)(C)NS(=O)(=O)CCNC(=O)N1CCO[C@@H](C#N)C1 519291765 DPXJFNFVOYPFNX-JTQLQIEISA-N 318.399 -0.362 30 20 DBED CNC(=O)CCNC(=O)C(=O)Nc1ccc(C#N)cc1OC 546709867 VFWQYCGCWVPRKF-UHFFFAOYSA-N 304.306 -0.242 30 20 DBED CN(CCC#N)C[C@H](O)CN[C@H]1CCN(CC(F)(F)F)C1=O 564856143 JDMQRNGUTIWRJD-MNOVXSKESA-N 322.331 -0.054 30 20 DBED C=C[C@@H](C(=O)OC)N1CCN(S(=O)(=O)NC(C)C)CC1 590737847 YHLDGKUQDBECLK-NSHDSACASA-N 305.400 -0.426 30 20 DBED COC(=O)[C@@H]1C[C@H](O)CN(S(=O)(=O)CC2(CC#N)CC2)C1 592120616 ZCAGZOUNIAYDNY-MNOVXSKESA-N 316.379 -0.134 30 20 DBED C=CCOC[C@@H](NC(=O)[C@H]1CCCS1(=O)=O)C(=O)OC 594351216 KNGWIOGITHZXBF-NXEZZACHSA-N 305.352 -0.576 30 20 DBED COc1cc(NC(=O)C(=O)NC2(C(N)=O)CC2)c(F)cc1C#N 599980240 BPIPUWHNNRGSJJ-UHFFFAOYSA-N 320.280 -0.221 30 20 DBED C=CCNC(=O)CNS(=O)(=O)C[C@]1(OC(C)C)CCOC1 659939701 UFVLGQNRQYIGDC-ZDUSSCGKSA-N 320.411 -0.208 30 20 DBED N#CCNC(=O)COC(=O)CNC(=O)c1ccc(F)cc1F 731236713 JMMZMYXPCJMXHC-UHFFFAOYSA-N 311.244 -0.122 30 20 DBED CNC(=O)c1cccc(Cn2c(N)nc(-c3nn[nH]n3)c2C#N)c1 736880894 AMSSRUHEDZNSDA-UHFFFAOYSA-N 323.320 -0.075 30 20 DBED C=CCN(CC(=O)OCC)C(=O)c1cn(CC(=O)N(C)C)nn1 743644280 JBSRLTIXLWKTOH-UHFFFAOYSA-N 323.353 -0.442 30 20 DBED Cn1cc(C[C@H]2CC(=O)N(CN3CCO[C@@H](C#N)C3)C2=O)cn1 746377670 NHGZXQSXMFCTMZ-STQMWFEESA-N 317.349 -0.480 30 20 DBED C#CCNS(=O)(=O)N1CCN([C@H](C)C(=O)OCCC)CC1 761029990 BVOMKUNUWRSYCW-GFCCVEGCSA-N 317.411 -0.587 30 20 DBED C#C[C@H](NC(=O)N1CC[C@@H](S(=O)(=O)NC)C1)[C@@H]1CCCO1 773561777 UHUQXEAHQGQDGE-WOPDTQHZSA-N 315.395 -0.500 30 20 DBED Cc1ncc(CO)c(/C=N/CC2CN(S(C)(=O)=O)C2)c1O 777402735 OGSHUNFXSJYSBX-LHHJGKSTSA-N 313.379 -0.102 30 20 DBED C#CCOCCNC(=O)NC[C@H]1CCC[C@]12NC(=O)N(C)C2=O 784349214 SZTZTMVLLZTWLU-ABAIWWIYSA-N 322.365 -0.344 30 20 DBED CNS(=O)(=O)C1CCN(C(=O)[C@@](C)(C#N)CC(=O)O)CC1 820641173 MNKSZHPUCHTHJZ-GFCCVEGCSA-N 317.367 -0.469 30 20 DBED N#C[C@@H]1CNC[C@@H]1NC(=O)CN1CCN(c2ccccn2)CC1 834499585 JZNLOZLTPBTMTL-KGLIPLIRSA-N 314.393 -0.569 30 20 DBED C#CCOc1cccc(NC(=O)C(=O)N2C[C@@H](O)[C@H](OC)C2)c1 835901855 RXFHENUPNYEYBQ-ZIAGYGMSSA-N 318.329 -0.145 30 20 DBED C=CCn1cc(C(=O)NS(=O)(=O)C[C@@H]2CCCO2)nn1 842755938 XNUSEFOOWYBTEA-VIFPVBQESA-N 300.340 -0.297 30 20 DBED C[C@H](OC(=O)[C@H]1CCCS1(=O)=O)C(=O)N(C)CCC#N 848860374 IJTVBNKFWSGXTM-VHSXEESVSA-N 302.352 -0.133 30 20 DBED Cn1c(N)c(C=NNc2ccc(C(=O)O)cc2)c(=O)n(C)c1=O 864890784 VIZJWROSXVTXAV-UHFFFAOYSA-N 317.305 -0.190 30 20 DBED C#CCNC(=O)COC(=O)[C@@H]1CNC(=O)C[C@@H]1C(F)(F)F 873456420 OCUZBCFIJDOBLA-SFYZADRCSA-N 306.240 -0.406 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)NCC[S@@](=O)CC 875196644 AIIFRSCBNILJIL-GIPWTMENSA-N 302.396 -0.584 30 20 DBED C#CCN1CCC[C@@H](NC(=O)NCCCN2C(=O)CNC2=O)C1 884135666 QJBGJGYCOMZXDN-GFCCVEGCSA-N 321.381 -0.675 30 20 DBED C#CC1(O)CN(C(=O)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)C1 890519596 PSOWZJGRNKLKOK-MEDUHNTESA-N 319.361 -0.306 30 20 DBED COC(=O)CC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 906965536 BVNXGVPBSVZLAF-SNVBAGLBSA-N 303.322 -0.052 30 20 DBED C=CCNC(=O)CN[C@@H](C)C1CCN(S(C)(=O)=O)CC1 925978100 AGAROYSZXINPAB-NSHDSACASA-N 303.428 -0.062 30 20 DBED C#CCNC(=O)CNC1(C(=O)N2CCOCC2)CCCCC1 934062594 SLRZIPDWROPENV-UHFFFAOYSA-N 307.394 -0.113 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](NC(=O)c2cnc3n2CCOC3)C1 938179587 AINBLYNOMPDSCY-MNOVXSKESA-N 317.349 -0.096 30 20 DBED CCN(C(=O)[C@H]1CCNC1=O)[C@@H]1CCN(C(=O)C#CC2CC2)C1 942901212 HTRQMRYDXMBQTQ-KGLIPLIRSA-N 317.389 -0.015 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)[C@H](C)C1 944135121 IQEXESZYUULIRY-MNOVXSKESA-N 314.349 -0.509 30 20 DBED O=C(NC[C@@H]1CN(C(=O)C#CC2CC2)CCO1)c1cccnn1 944741627 HELUWGOQTDYTJK-CYBMUJFWSA-N 314.345 -0.153 30 20 DBED C=CCN1CC[C@@H](N2CCN(C(=O)c3cncn3C)CC2)C1=O 949125106 ZJUADNCDNJYZSH-CYBMUJFWSA-N 317.393 -0.035 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H]2CCN2C(=O)[C@@H]2CCC(=O)N2)c1 949283863 SGTAGZSRHZAKJB-MNOVXSKESA-N 315.333 -0.504 30 20 DBED Cc1cn2nc(C(=O)N3CCN(CC#N)CC3)cc2c(=O)[nH]1 949479760 PTDCOAVPFYQAJH-UHFFFAOYSA-N 300.322 -0.388 30 20 DBED N#CCN1C[C@@H](O)[C@H](CNC(=O)c2ccnn2CC(F)F)C1 958070122 WLAAIJNBAQUPOR-MWLCHTKSSA-N 313.308 -0.306 30 20 DBED N#CCN1C[C@@H](O)[C@H](CNC(=O)c2cncc3nc[nH]c23)C1 958081474 ORESNWDVYHGRGI-BXKDBHETSA-N 300.322 -0.496 30 20 DBED CC#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cc(OCC)n[nH]2)C1 958167382 KYKRJTVJRKVKQV-WCQYABFASA-N 306.366 -0.146 30 20 DBED Cn1nc(C(=O)NC[C@H]2CN(CC#N)C[C@H]2O)cc1C(F)F 958263033 MMDOSKVZKHGKTN-GZMMTYOYSA-N 313.308 -0.096 30 20 DBED C=C1CCC(C(=O)NC[C@H]2CN(CC(=O)NC)C[C@H]2O)CC1 958368897 DSPNOIDYPJYNRF-UONOGXRCSA-N 309.410 -0.112 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](NC(=O)c2c[nH]c(C(N)=O)c2)[C@H](C)C1 958380599 DSZOBRJTWYMBBD-YGOYTEALSA-N 317.349 -0.150 30 20 DBED N#CCN1C[C@@H](O)[C@@H](CNC(=O)c2ccc(NC(N)=O)cc2)C1 958644635 LEUDDLDXDUCZST-WCQYABFASA-N 317.349 -0.277 30 20 DBED COCc1nc(C(=O)NC[C@H]2CN(CC#N)C[C@@H]2O)cs1 958744854 WIMSGYGEGIVWNF-ONGXEEELSA-N 310.379 -0.164 30 20 DBED CN(C(=O)Cc1cc[nH]n1)[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 958775881 CSRKLRQNRHKGOJ-KBPBESRZSA-N 316.361 -0.604 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cncn2C)C1 958884088 OPOLTAIWVCDRII-DLOVCJGASA-N 305.338 -0.777 30 20 DBED O=C(C#CC1CC1)N1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CCOC1 960111330 ODBFOZTVNWXQII-SOUVJXGZSA-N 318.373 -0.126 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H]2CN(C(=O)c3cnsn3)C[C@@H]21 960884282 QOOSUWYMTIFKDS-DVVUODLYSA-N 321.362 -0.250 30 20 DBED CC#CCN1C[C@@H]2C(NC(=O)c3cnc(O)n(C)c3=O)[C@H]2C1 961457177 MFIRHCMXNDRHQO-QWRGUYRKSA-N 302.334 -0.831 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2[C@@H]3CN(Cc4nc(O)n[nH]4)C[C@@H]32)cn1 962324005 BUAHMDAGDGJECH-IMRBUKKESA-N 324.344 -0.253 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@H](NC(=O)c2cnn(C)c2N)C1 962430237 APEVILWGNJBGII-MNOVXSKESA-N 321.381 -0.484 30 20 DBED O=C(NC[C@@H]1COCCN1C(=O)C#CC1CC1)[C@@H]1[C@H]2COC[C@H]21 964320640 VLHITOFXJYVXRG-NYTXWWLZSA-N 318.373 -0.364 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCCN1C(=O)CC(N)=O 964454575 BKQNAJZXQDBVMB-UPJWGTAASA-N 323.393 -0.050 30 20 DBED N#CCNC1CC2(C1)CC(NC(=O)[C@@H]1CC(=O)NC(=O)N1)C2 965297037 UMMHOWICNBPKBB-QXVNIHLASA-N 305.338 -0.875 30 20 DBED CCN(C(=O)[C@H]1CCC(=O)N1C)C1CN(C(=O)[C@H](C)C#N)C1 968260226 MMEAXEHGDPROLN-ZYHUDNBSSA-N 306.366 -0.174 30 20 DBED C#CCN1CC[C@@H](C)[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)C1 968541061 XVZBKVMUUXVQSY-NEPJUHHUSA-N 306.366 -0.660 30 20 DBED O=C(C#CC1CC1)N1CC[C@@H](NCc2nnc3n2CCOC3)C1 968627443 ZZKFQNFZRSXDFS-CYBMUJFWSA-N 315.377 -0.088 30 20 DBED C[C@@H](NC(=O)c1ccc(C#N)[nH]1)C1CN(CCS(C)(=O)=O)C1 969514084 JTSSJEFDTNFWGC-SNVBAGLBSA-N 324.406 -0.019 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@H](NC(=O)[C@H]2CCC(=O)N2C)C1 969922692 IBOAGUUWRKXBBZ-UTUOFQBUSA-N 323.393 -0.493 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cn[nH]c2)C[C@@H]1O 970702712 YVQNGBBFOZWBLP-NDBYEHHHSA-N 320.349 -0.698 30 20 DBED N#CCN1CCO[C@@]2(CCN(C(=O)CN3CCCC3=O)C2)C1 972248000 HPUJDWCRBARQAT-HNNXBMFYSA-N 306.366 -0.564 30 20 DBED CC#CCN1CCO[C@@]2(CCN(C(=O)[C@H]3COCCN3C)C2)C1 972348006 DRHIPHKZXCDCGZ-WBVHZDCISA-N 321.421 -0.356 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3COCCO3)C2)[nH]1 973031756 UGJHCSCQNACEGI-NQBHXWOUSA-N 318.333 -0.321 30 20 DBED O=C1NCC[C@@H]1C(=O)N[C@H]1[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]21 976936435 ASOSAJXXSMBLQH-CIQGVGRVSA-N 301.346 -0.891 30 20 DBED COc1ccc(C(=O)N[C@H]2[C@@H]3CN(C(=O)[C@H](C)C#N)C[C@@H]32)nn1 977180613 SZOIGCMRVCCYFE-DNJQJEMRSA-N 315.333 -0.169 30 20 DBED C#CCCN1C[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)C(C)(C)C1 977538553 JMCLZPGRRRNSEI-CYBMUJFWSA-N 319.409 -0.260 30 20 DBED COc1cc(OC)nc(C(=O)NC[C@H]2[C@@H]3CN(CC#N)C[C@H]23)n1 978368389 NMHLXBHUPZYCEZ-RTCCRHLQSA-N 317.349 -0.075 30 20 DBED CC#CCN1C[C@H]2C(CNC(=O)c3cn(C)c(=O)cn3)[C@@H]2C1 978565548 VZQDXXPCZFTJHX-STQMWFEESA-N 300.362 -0.289 30 20 DBED O=C1NC[C@H](C(=O)NC[C@H]2CCN(C(=O)C#CC3CC3)C2)N1 982746868 XFJBASKHLJELPC-VXGBXAGGSA-N 304.350 -0.954 30 20 DBED C=CCN[C@H]1C[C@H](C)N(C(=O)CCc2nnc(O)nc2O)C1 989089673 XVSRSABGTQBSPS-UWVGGRQHSA-N 307.354 -0.020 30 20 DBED C[C@@H]1C[C@@H](NCC#N)CN1C(=O)CN1C(=O)NC(C)(C)C1=O 989752179 KWAYRDWUCVIUGZ-NXEZZACHSA-N 307.354 -0.581 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H](NC(=O)C(C)C)[C@H](O)C2)nn1 991290779 GGRPAJXAYPNKFM-WCQYABFASA-N 321.381 -0.188 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)Cc2cncnc2)C1 1000010119 WGJAULKUCYKPKP-KGLIPLIRSA-N 316.361 -0.063 30 20 DBED O=C(C#CC1CC1)N1CC2(CCN(C(=O)Cn3ncnn3)C2)C1 1019010061 CJJVNSGWEUJTOA-UHFFFAOYSA-N 314.349 -0.853 30 20 DBED Cc1nonc1C(=O)NC[C@H]1CN(C(=O)[C@H](C)C#N)CCCO1 1019612948 FRIQQBRNJNAWIQ-KOLCDFICSA-N 321.337 -0.115 30 20 DBED N#CCN[C@H]1C[C@H](NC(=O)c2ccccc2OCC(N)=O)C1 1020372952 BRPLXMZQODDJHC-XYPYZODXSA-N 302.334 -0.075 30 20 DBED C#CCN1CC[C@@H]2[C@H](CCCN2C(=O)Cn2cnnc2O)C1 1021567770 YJFSLVUVLKIBFN-CHWSQXEVSA-N 303.366 -0.070 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@@H](N[C@@H]2CCNC2=O)C1 1022220983 VFWLMTOUZKIJJH-RQJABVFESA-N 304.394 -0.791 30 20 DBED C=C(C)CN[C@H]1C[C@@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 1022862052 RNGWVLCLQZJYHM-PHIMTYICSA-N 316.365 -0.116 30 20 DBED C=CCCn1cc(C(=O)NC2CN(Cc3nc(O)n[nH]3)C2)nn1 1031080141 XKLUUQSGZBEYBF-UHFFFAOYSA-N 318.341 -0.708 30 20 DBED CC#CCN1CCO[C@H](CNC(=O)c2nnn(C(C)(C)C)n2)C1 1035381570 GIUMHRAOHCJMSL-GFCCVEGCSA-N 320.397 -0.118 30 20 DBED N#CCN1CCO[C@@H](CNC(=O)[C@@H]2CCCCS2(=O)=O)C1 1035393372 ZKSWWLGUXFCQTI-RYUDHWBXSA-N 315.395 -0.706 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)c2cc(=O)c(OC)co2)C1 1035444007 GPBKMHKPUVLSGQ-NSHDSACASA-N 306.318 -0.288 30 20 DBED C=C(Cl)CN1CCO[C@H](CNC(=O)[C@H]2CNC(=O)N2)C1 1035495228 HEZZQFRLXYRVCQ-NXEZZACHSA-N 302.762 -0.763 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2[C@H]3C[C@H]2N(CC(=O)N2CCC2)C3)[nH]1 1037366580 YUJUHBCLTYGUQZ-PSOPSSQASA-N 313.361 -0.079 30 20 DBED C=CCN1CC[C@@H](N2CC[C@@H]2CNC(=O)c2ncn(C)n2)C1=O 1038221339 ARCSZNUGEOJFTM-VXGBXAGGSA-N 318.381 -0.594 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCN1Cc1nncn1C 1038365301 BIYRQLILMIKJFW-KGLIPLIRSA-N 316.409 -0.397 30 20 DBED O=C1NC[C@@H](C(=O)NC[C@@H]2CCN2CC#Cc2ccccc2)N1 1038654056 GKCJFKIPAAKKPN-GJZGRUSLSA-N 312.373 -0.090 30 20 DBED O=C(C#CC1CC1)NC[C@]1(O)CCN(C(=O)C#CC2CC2)C1 1039680970 RCSSPAWGZWXXDH-QGZVFWFLSA-N 300.358 -0.107 30 20 DBED C=C(C)CCC(=O)N1CC[C@](O)(CNC(=O)[C@H]2CNC(=O)N2)C1 1040723529 JVZTTWPVCIBUBF-ABAIWWIYSA-N 324.381 -0.896 30 20 DBED C[C@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)Cc2ccon2)C1 1040759777 CXRQCOQJWSMEEW-YGRLFVJLSA-N 306.322 -0.544 30 20 DBED Cc1nnsc1C(=O)N1CC[C@@](O)(CNC(=O)[C@@H](C)C#N)C1 1040763604 QJUZJXGPQQBJFM-ISVAXAHUSA-N 323.378 -0.301 30 20 DBED Cc1c(C(=O)NCC2(O)CN(C(=O)C#CC3CC3)C2)cnn1C 1041477957 FFYOMPANKBEBTK-UHFFFAOYSA-N 316.361 -0.555 30 20 DBED Cc1cc(=NC[C@H]2CN(C(=O)C(N)=O)CCCO2)c(C#N)c[nH]1 1041525902 RTPNAEGRMIKNGF-LBPRGKRZSA-N 317.349 -0.802 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)c2c(C)noc2C)C1 1042035981 WAPTUKWYLBNOLN-UHFFFAOYSA-N 323.349 -0.203 30 20 DBED CN1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1042098154 OHBKYOYSHLYFPG-ZDUSSCGKSA-N 305.378 -0.817 30 20 DBED CC(C)(F)C(=O)N1CC(O)(CNC(=O)c2cc(C#N)c[nH]2)C1 1042400599 DUWJTACQRAPYPK-UHFFFAOYSA-N 308.313 -0.062 30 20 DBED CC[C@H](OC)C(=O)N1CC(O)(CNC(=O)c2cc(C#N)c[nH]2)C1 1042402367 YVUQQLIIVMYZPQ-LBPRGKRZSA-N 320.349 -0.386 30 20 DBED Cn1cnc(C(=O)N2CC(O)(CNC(=O)C#CC(C)(C)C)C2)n1 1042965753 IGNUIUVUPUUHBF-UHFFFAOYSA-N 319.365 -0.832 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)C2=CCOCC2)C1 1043040071 NGDVCMSSXWFLQQ-LBPRGKRZSA-N 322.361 -0.939 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)C[C@H]2CCN(C)C2=O)C1 1043517980 RMIPBZITCLEKJC-GFCCVEGCSA-N 323.393 -0.490 30 20 DBED CC(C)[C@@H](F)C(=O)NCC1(O)CN(C(=O)CSCC#N)C1 1044958406 NOZCHOKPTSRGDU-LLVKDONJSA-N 317.386 -0.073 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)[C@H]2CCC(=O)N2C)C1 1045117267 ZUACXWFHUWYNSS-LLVKDONJSA-N 323.393 -0.491 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)[C@@]2(F)CCOC2)C1 1045137187 CHFSATZKGWIBKA-OAHLLOKOSA-N 312.341 -0.536 30 20 DBED C=CCCCC(=O)NCC1(O)CN(C(=O)[C@H](C)NC(N)=O)C1 1045451543 UXRULLDQBAKKJO-JTQLQIEISA-N 312.370 -0.911 30 20 DBED CCCn1nccc1C(=O)N1CC(O)(CNC(=O)[C@H](C)C#N)C1 1045550843 ACMIIHNJWQSEQG-LLVKDONJSA-N 319.365 -0.244 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)C(C)(C)N2CCCC2)C1 1045564162 DBOBOEXJJWGHDL-LBPRGKRZSA-N 322.409 -0.290 30 20 DBED C=CCN1CC[C@@H](N2CCN(C(=O)c3nnn(C)n3)CC2)C1 1046054613 LWIISSMSXBGDJT-GFCCVEGCSA-N 305.386 -0.772 30 20 DBED C=CCC(C)(C)C(=O)N1CC(O)(CNC(=O)Cn2cncn2)C1 1046871701 ZUSKCAFPVYUKLI-UHFFFAOYSA-N 321.381 -0.430 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3nn[nH]c3C2)C1 1047597560 URTYLRWVSLJOKH-SWHYSGLUSA-N 303.366 -0.954 30 20 DBED N#Cc1cncc(NC2CC(CNC(=O)[C@@H]3COC(=O)N3)C2)n1 1051918504 IOOOMYAMDOFXFX-AMUVOQDHSA-N 316.321 -0.237 30 20 DBED C#CCN1CC2(C1)CN(C(=O)CCn1cnccc1=O)CCO2 1053487844 VWXCFEDTTUFZHO-UHFFFAOYSA-N 316.361 -0.820 30 20 DBED C#CCN1CC2(CC[C@@H](CNC(=O)c3ccc(=O)n(C)n3)O2)C1 1053696456 JJDOESQVVKVOHD-LBPRGKRZSA-N 316.361 -0.623 30 20 DBED C=C(C)CN1CC2(C[C@@H](NC(=O)[C@H]3COCCN3C)CO2)C1 1053782117 FSEPRXCFSORBFC-ZIAGYGMSSA-N 309.410 -0.147 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)[C@@H]3CCN(C)C3=O)CO2)C1 1053893098 KBXFQJHXXOLYQA-OLZOCXBDSA-N 305.378 -0.553 30 20 DBED N#Cc1nccc(N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)Cn2nccn2)n1 1055396174 HFCJWFGHHRWLAE-UTUOFQBUSA-N 324.348 -0.134 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@](CO)(NC(=O)c2cnns2)C1 1055799128 XHDRWASSEIKVIK-RNCFNFMXSA-N 323.378 -0.219 30 20 DBED Cn1cc(CC(=O)N[C@H]2[C@@H]3CN(c4ccnc(C#N)n4)C[C@@H]32)cn1 1056147966 TYVHRAKAKMMBDS-ATCWAGBWSA-N 323.360 -0.125 30 20 DBED N#Cc1nccc(N2C[C@@H]3C(NC(=O)CN4CCCC4)[C@H]3C2)n1 1056225075 JEHGXOQCFWMTBN-RYUDHWBXSA-N 312.377 -0.005 30 20 DBED CNC(=O)CC(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)[C@H](C)C#N 1056363145 IHZVGKSYWXFGTH-IJLUTSLNSA-N 306.366 -0.126 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCN(CCO)C(=O)c1cnccn1 1056833791 LEVMGDJHGVOVPE-OAHLLOKOSA-N 322.365 -0.646 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)CN1CCOCC1 1057171371 YPIZDQRBAVWOIO-UHFFFAOYSA-N 313.398 -0.778 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)[C@@H]1CCCN1C 1057209228 LKZKWJCMAZIVHU-ZDUSSCGKSA-N 313.398 -0.780 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)c1cncc(F)c1 1057329697 BRJXHERVDBIRRU-JTQLQIEISA-N 308.313 -0.069 30 20 DBED C#CCOCCC(=O)N(CCO)CCNC(=O)COCC=C 1057581320 PJPLNSCEQLGJHN-UHFFFAOYSA-N 312.366 -0.834 30 20 DBED C#CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)Cc1ccco1 1057584896 RNKLMXFSLFSSLM-ZDUSSCGKSA-N 322.361 -0.203 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)[C@@H](C1CC1)N(C)C 1057876945 VTKFEBLVPZJSJE-WCQYABFASA-N 310.398 -0.577 30 20 DBED C=CCO[C@H](C)C(=O)N(CCO)CCNC(=O)c1c[nH]nc1C 1057923309 QVUYTSGJQRCRNF-GFCCVEGCSA-N 324.381 -0.140 30 20 DBED COc1nccc(C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N)n1 1058212333 KOQPULCYNLPWAI-JTQLQIEISA-N 321.337 -0.804 30 20 DBED N#Cc1cnc(N2CC[C@@H](NC(=O)CN3CCCC3=O)C2)cn1 1058308699 YKUBFPZNCBOAIM-LLVKDONJSA-N 314.349 -0.334 30 20 DBED C[C@]1(C(=O)N[C@@H]2CCN(c3ccc(C#N)nn3)C2)CNC(=O)C1 1058494171 LVLKKZOXWKLDMD-IAQYHMDHSA-N 314.349 -0.431 30 20 DBED N#Cc1cnc(N2CC[C@H](NC(=O)[C@H]3CCC(=O)NC3)C2)cn1 1058594387 PWZGOQCVTKPGQS-QWRGUYRKSA-N 314.349 -0.431 30 20 DBED Cc1nc(CC(=O)N2CC[C@H](N=c3cc[nH]c(C#N)n3)C2)n[nH]1 1058890352 PMNXVINBAKXENO-JTQLQIEISA-N 312.337 -0.548 30 20 DBED C[C@H](C(=O)N(CCO)CCNC(=O)[C@H](C)C#N)c1cnn(C)c1 1058895230 SYWOCIPVNNPMRU-NEPJUHHUSA-N 321.381 -0.380 30 20 DBED N#Cc1nc(=N[C@H]2C[C@H](NC(=O)[C@H]3CCC(=O)N3)C2)cc[nH]1 1059170886 WQAGIPGDQSDBJH-OPRDCNLKSA-N 300.322 -0.892 30 20 DBED O=C(NCC[C@H]1CCN(C(=O)C#CC2CC2)C1)[C@@H]1CCNC1=O 1059622431 IITSJTHCGVHWDF-KBPBESRZSA-N 317.389 -0.109 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](CCNC(=O)CN2CCOCC2)C1 1060288829 GBEFWQGEZNTMMJ-UONOGXRCSA-N 322.409 -0.167 30 20 DBED CCOCC(=O)NC[C@@H]1COCCN1C(=O)CSCC#N 1061235893 JHGYLJHFYWUAGU-LLVKDONJSA-N 315.395 -0.377 30 20 DBED O=C(Cc1ncc[nH]1)NC[C@H]1COCCN1C(=O)C#CC1CC1 1061816942 ACCYFAZTFTZMKG-ZDUSSCGKSA-N 316.361 -0.291 30 20 DBED N#Cc1cccnc1N1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1COC(=O)N1 1062480769 ADDKVKLVLAFARN-SDDRHHMPSA-N 313.317 -0.149 30 20 DBED N#Cc1ccc(N2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CCNC2=O)cn1 1062555282 CLFVDTUXFNVBPN-IHRRRGAJSA-N 311.345 -0.121 30 20 DBED O=C(C#CC1CC1)NCC1(NC(=O)Cc2nc[nH]n2)CCC1 1062980156 PUTSPUZWGDFFPX-UHFFFAOYSA-N 301.350 -0.084 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H]1CCCN1C(=O)Cn1ncnn1 1063519205 RQZZEWWUFRGDIM-GFCCVEGCSA-N 312.337 -0.535 30 20 DBED C#CCCCC(=O)N[C@@H]1CCCN(C(=O)Cn2cnnn2)CC1 1066097424 JNBCRCJQRMOYMR-CYBMUJFWSA-N 318.381 -0.026 30 20 DBED C#CCCCC(=O)N[C@H]1CCCN(C(=O)Cn2cnnn2)CC1 1066097425 JNBCRCJQRMOYMR-ZDUSSCGKSA-N 318.381 -0.026 30 20 DBED N#Cc1nc(=NC[C@H]2CN(C(=O)[C@@H]3CCOC3)CCO2)cc[nH]1 1066598675 MPSJGYMBMCGCMI-NEPJUHHUSA-N 317.349 -0.554 30 20 DBED C[C@H]1CN(C(=O)Cn2nccn2)C[C@@H]1Nc1ccc(C#N)nn1 1067152929 FUSJMYOQASGVCJ-JQWIXIFHSA-N 312.337 -0.101 30 20 DBED CC(=O)NCC(=O)N1CC2(CC[C@@H](CNC(=O)[C@H](C)C#N)O2)C1 1068617672 DTGZDEIOEHAJQB-PWSUYJOCSA-N 322.365 -0.842 30 20 DBED C=CCOCC(=O)N1CC2(C[C@H](NC(=O)CCOC)CO2)C1 1068646765 NGQYCEWZSWUTDX-LBPRGKRZSA-N 312.366 -0.288 30 20 DBED C#CCN1CCn2ncc(CNC(=O)[C@H]3CCCC(=O)N3)c2C1 1069864279 HSBFHXFCTRTQTG-CYBMUJFWSA-N 315.377 -0.383 30 20 DBED C=CCCC(=O)N1CCC[C@@H](NC(=O)c2nnc(O)nc2O)C1 1070525449 LJWKGDYZWABTKR-SECBINFHSA-N 321.337 -0.030 30 20 DBED C#CCN[C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1 1071087239 URQRXRVIOFSRPV-BARDWOONSA-N 319.405 -0.273 30 20 DBED C[C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 1071573698 HNHQPTQLHDOLNE-LDYMZIIASA-N 318.337 -0.869 30 20 DBED C=CCOCC(=O)N1C[C@@H](C)[C@@H](NC(=O)c2cn(C)c(O)n2)C1 1071811993 PCJIUPPOKLIUHS-MNOVXSKESA-N 322.365 -0.095 30 20 DBED C#CCN1C[C@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)CC[C@@H]1C 1072045216 PRACMUFEPFOJNR-NWDGAFQWSA-N 320.393 -0.081 30 20 DBED CNC(=O)NCC(=O)N1C[C@@H](C)[C@@H](NC(=O)C#CC2CC2)C1 1072268303 LSPJRXAGVOEOAA-PWSUYJOCSA-N 306.366 -0.708 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)c3cccc(=O)n3C)C[C@@H]21 1074335750 DILPJPXFYXJETI-GJZGRUSLSA-N 315.373 -0.066 30 20 DBED CC(C)C#CC(=O)N1CC[C@H](NC(=O)Cn2cnnn2)C[C@H]1C 1074808589 RISXJOYACQZJMC-OLZOCXBDSA-N 318.381 -0.172 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H](C)CCNC(=O)Cn1nccn1 1076694484 QHVVWWRGBXPOEH-SMDDNHRTSA-N 309.370 -0.384 30 20 DBED Cc1nc(CN2C[C@@H](O)[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)n[nH]1 1076855580 CSCCRRBGJMJHBM-VXGBXAGGSA-N 315.337 -0.712 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)C1 1077448713 DPYXFDADYRFTEZ-DGCLKSJQSA-N 317.349 -0.708 30 20 DBED C[C@@H](CCNC(=O)[C@H](C)C#N)NC(=O)c1cn(C)c(=O)cn1 1078132501 WITHPDMEZUEJCS-ZJUUUORDSA-N 305.338 -0.435 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3nncn3C2)C1 1078223612 IORRFPWTGJOFPP-BFHYXJOUSA-N 319.409 -0.032 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2ccnn2C)C1 1081321236 MOPMICHACFYFGP-TZMCWYRMSA-N 318.377 -0.371 30 20 DBED C#CCOCCC(=O)NC[C@H]1CN(C(=O)C(F)F)C[C@H]1O 1081489162 QOGYCCYMCUVNLE-VHSXEESVSA-N 304.293 -0.773 30 20 DBED CC#CCCCC(=O)NC[C@H]1CN(C(=O)c2cnn[nH]2)C[C@@H]1O 1081672124 UIIVKXHCVXWRPD-AAEUAGOBSA-N 319.365 -0.453 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)c2c3c(nn2C)CCC3)C1 1083946679 XEMNCFGRJWRYPE-KGLIPLIRSA-N 302.378 -0.293 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)c2ccc(NC(N)=O)cc2)C1 1084027478 JRUTXOWVFDURTB-KGLIPLIRSA-N 316.361 -0.025 30 20 DBED C#CCN1CC[C@H](NC(=O)c2nccnc2C(N)=O)[C@H]1CC 1087822676 DJBBQHCVIVFRSH-WDEREUQCSA-N 301.350 -0.209 30 20 DBED C#CCCN1CC[C@H](NC(=O)Cn2ccc(O)nc2=O)[C@H]1C 1088714686 WEOOZSHLGMIOMY-NEPJUHHUSA-N 304.350 -0.449 30 20 DBED C[C@@H]1[C@@H](NC(=O)c2cn([C@H]3CCOC3)nn2)CCN1CC#N 1088965632 XTYWIRGNBZNRAL-WOPDTQHZSA-N 304.354 -0.044 30 20 DBED CNC(=O)NCC(=O)N1CC[C@H](N=c2cc[nH]cc2C#N)[C@@H]1C 1090246482 ZFOZRJQTVCMQGP-JQWIXIFHSA-N 316.365 -0.295 30 20 DBED C=C(Cl)CN1CC[C@@H](NC(=O)C2CS(=O)(=O)C2)[C@H](O)C1 1090293039 QZYVMKIXXVLNMF-GHMZBOCLSA-N 322.814 -0.665 30 20 DBED C#CCN1CC[C@H](NC(=O)c2ncccc2NC(C)=O)[C@@H](O)C1 1090317249 YQIDRNAMFKOBCW-JSGCOSHPSA-N 316.361 -0.162 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2cnc3n2CCOC3)[C@H](O)C1 1090336433 HGHITXIABLCDBQ-ZYHUDNBSSA-N 305.338 -0.898 30 20 DBED N#CCN1CC[C@H](NC(=O)c2ccc3nc[nH]c3n2)[C@@H](O)C1 1090352708 NRVPYSVJJYDNBK-CABZTGNLSA-N 300.322 -0.354 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2cc(CN(C)C)on2)[C@H](O)C1 1090379214 WCVRNHSDPTZEKW-TZMCWYRMSA-N 306.366 -0.466 30 20 DBED N#CCN1CC[C@H](NC(=O)c2nnc3ccccc3n2)[C@H](O)C1 1090431874 FDGAOJIYCWMYNM-QWHCGFSZSA-N 312.333 -0.287 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2cnc3c(c2)nnn3C)[C@H](O)C1 1090441269 JWLRLLAWMATUOP-DGCLKSJQSA-N 314.349 -0.839 30 20 DBED C[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1NC(=O)CCNC(N)=O 1090711417 QTSIBSWEPAALQS-ZWNOBZJWSA-N 316.365 -0.047 30 20 DBED C#CCN1CCC(C(=O)N[C@H]2CCN(CC#N)C[C@H]2O)CC1 1090831282 SKYKPQLJFCFSBX-LSDHHAIUSA-N 304.394 -0.593 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2cc(C(N)=O)cs2)[C@H](O)C1 1090834776 ZZOZMZGKZKAMOW-GHMZBOCLSA-N 307.375 -0.355 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)COCC3CC3)C2)nn1 1091081199 XRTSYEQKDAVUGG-OLZOCXBDSA-N 317.349 -0.559 30 20 DBED CCC[C@H](OC)C(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1091165923 HYQVZTXRZZIURQ-AGIUHOORSA-N 319.365 -0.171 30 20 DBED CCNC(=O)CC(=O)N[C@H]1[C@@H]2CN(c3cncc(C#N)n3)C[C@@H]21 1093266651 PQIUKIWYGORUHY-HBYGRHMLSA-N 314.349 -0.575 30 20 DBED COC[C@@H](OC)C(=O)N[C@H]1[C@@H]2CN(c3cnc(C#N)cn3)C[C@@H]21 1093344152 CPCNUVPSTDRHES-CZXHOFHRSA-N 317.349 -0.440 30 20 DBED N#Cc1nccnc1NCCNC(=O)c1ccc(C(N)=O)cn1 1093704909 LWVKGEPRHUEJKV-UHFFFAOYSA-N 311.305 -0.316 30 20 DBED CC(C)C(=O)N(C)CC(=O)NCCNc1cnc(C#N)cn1 1094188050 UGQMDKIIKBEKLP-UHFFFAOYSA-N 304.354 -0.009 30 20 DBED C#CCN1CC(n2cc(CNC(=O)[C@H]3C[C@@H]3OCC)nn2)C1 1094276364 NCMOMWXWKNDBDJ-KBPBESRZSA-N 303.366 -0.191 30 20 DBED C#CCN1CCN(C(=O)c2cncnc2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094625835 BDZFEDCFGRTKLN-QWHCGFSZSA-N 320.374 -0.967 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H]2CC(=O)N(C3CN(CCF)C3)C2)c1 1094720691 PCJSUMXFRBKFBJ-NSHDSACASA-N 319.340 -0.129 30 20 DBED Cc1cncc(C(=O)N[C@@H]2CC(=O)N(C3CN(CC#N)C3)C2)c1 1094723093 FDBNNAVFJSTXMH-CYBMUJFWSA-N 313.361 -0.072 30 20 DBED C=CCN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN1CCN(C)C(=O)C1)C2 1094950972 XRWBATSUIFRLQY-ZNMIVQPWSA-N 320.437 -0.085 30 20 DBED C=C(C)CN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN1CCNC(=O)C1)C2 1094977566 FQFQVWUATJULRD-ZNMIVQPWSA-N 320.437 -0.037 30 20 DBED CCNC(=O)CC(=O)N1CC[C@H](N(C)c2cnc(C#N)cn2)C1 1095111652 XRXJZGPGRRQKTA-LBPRGKRZSA-N 316.365 -0.088 30 20 DBED N#Cc1cnc(N[C@@H](CNC(=O)CNC(N)=O)C2CC2)cn1 1096565877 OBODSQLPJGNBEO-JTQLQIEISA-N 303.326 -0.677 30 20 DBED C[C@@H](CNC(=O)CN1CCCC1=O)N=c1cc[nH]cc1C#N 1097695991 HZCBOKKEJLDVDN-NSHDSACASA-N 301.350 -0.086 30 20 DBED N#CCN(CCO)C1CCN(C(=O)c2cc3n(n2)CCO3)CC1 1098394083 UNNYYGMUZOKEGT-UHFFFAOYSA-N 319.365 -0.302 30 20 DBED Cc1cc(C#N)nc(N[C@H](C)CCNC(=O)Cn2cnnn2)n1 1098817867 QQEDCNJKYLIULG-SECBINFHSA-N 315.341 -0.350 30 20 DBED C=C(C)C(C)(C)C(=O)N[C@@H]1CCN(Cc2nnnn2C)C[C@@H]1O 1099947687 ZETMUOJPAVTPPN-NEPJUHHUSA-N 322.413 -0.136 30 20 DBED C=CCNC1CC(CNC(=O)Cn2ccc(=O)n(C)c2=O)C1 1100382103 HLQCRTLOZANLOI-UHFFFAOYSA-N 306.366 -0.783 30 20 DBED CC#CCNC1CC(CNC(=O)[C@@H](CCC)S(N)(=O)=O)C1 1100536411 YQQAEJZCOZIQDO-WXRRBKDZSA-N 315.439 -0.049 30 20 DBED C=CCOCC(=O)NC[C@H]1CCN(c2nccn3nnnc23)C1 1100946235 QCRSLTDHCURZAB-LLVKDONJSA-N 317.353 -0.336 30 20 DBED Cc1cc(=NCCN(C)C(=O)CCNC(N)=O)c(C#N)c[nH]1 1101611033 IGUUSCXCJPDIEF-UHFFFAOYSA-N 304.354 -0.388 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(Cc2nnnn2C)C[C@H]1C 1101961925 NLWZPKZXEZWNCP-CHWSQXEVSA-N 320.397 -0.566 30 20 DBED CC(=O)N(C)CC(=O)N(C)[C@H]1CCN(c2ccnc(C#N)n2)C1 1102671257 IGUFNUAEOHWSJT-LBPRGKRZSA-N 316.365 -0.136 30 20 DBED CCC(=O)N[C@@H](C)C(=O)NC[C@@H](CC)N=c1cc[nH]c(C#N)n1 1103345452 ILXVBSLPFLZDKR-WDEREUQCSA-N 318.381 -0.008 30 20 DBED C[C@@H](CNC(=O)[C@H]1CNC(=O)N1)CNc1cnc(C#N)cn1 1104183013 ABOBHBMMKWXYLN-PSASIEDQSA-N 303.326 -0.806 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@@H]1CN(C(=O)COCC)C[C@H]1C 1105791903 CYIFOARXJGNYDC-HZSPNIEDSA-N 309.410 -0.155 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)CCn2ccnn2)cn1 1105795098 TXGYFNNVSUCQMN-CYBMUJFWSA-N 315.337 -0.476 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)C[C@@H]2COC(=O)C2)nc1 1105819148 BHNKGMLSZIMCIX-NWDGAFQWSA-N 318.333 -0.205 30 20 DBED COCCC(C)(C)C(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1 1105947382 RSMGACXHHFFQJS-NSHDSACASA-N 321.381 -0.278 30 20 DBED CN(C)[C@@H](C(=O)NC[C@@H](O)CN=c1cc[nH]cc1C#N)C1CC1 1105995873 XAGSCTSMECAAAB-DZGCQCFKSA-N 317.393 -0.396 30 20 DBED CO[C@H](C(=O)NC[C@@H](O)CN=c1cc[nH]cc1C#N)C(C)C 1106092831 NZAOEVFREJRDLK-JSGCOSHPSA-N 306.366 -0.065 30 20 DBED C[C@@H](C#N)C(=O)NC[C@]12CCC[C@H]1N(CC(=O)NC(N)=O)CC2 1107336140 ITIZFXSMRNXYDI-FIXISWKDSA-N 321.381 -0.298 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](C)NC(=O)C2CS(=O)(=O)C2)n1 1107951707 DKULTWMRRPSNRR-SECBINFHSA-N 323.378 -0.382 30 20 DBED CCn1cc(CC(=O)NC[C@]2(C)CN(CC#N)CCO2)nn1 1108090997 ZRHWMYFAUSCFJR-CQSZACIVSA-N 306.370 -0.429 30 20 DBED C#CCCN1CC(N2C[C@@H](NC(=O)C[C@](C)(O)C=C)CC2=O)C1 1108539070 UXIBYTLWCYIOSP-SUMWQHHRSA-N 319.405 -0.262 30 20 DBED C[C@H](CN(C)c1ccc(C#N)cn1)NC(=O)Cn1cnnc1O 1108945073 NOGYTYVQUPPDFP-SNVBAGLBSA-N 315.337 -0.109 30 20 DBED C[C@@H](CN(C)c1cnc(C#N)cn1)NC(=O)C1(C(N)=O)CC1 1109217481 PQEFBXLCCRRKPA-VIFPVBQESA-N 302.338 -0.445 30 20 DBED CN(CCCNc1nccnc1C#N)C(=O)CN1CCOCC1 1109409186 PLDWIFGTTZKHBL-UHFFFAOYSA-N 318.381 -0.059 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cnns1 1110324614 CCYOCZANYOQNFO-MXWKQRLJSA-N 319.390 -0.377 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1111177119 YLENDAWFHIRVTE-DLOVCJGASA-N 300.322 -0.484 30 20 DBED N#Cc1ccc(N2CCC[C@@](CO)(NC(=O)CC(N)=O)C2)cn1 1111346768 VDKUMKPTSRTABP-OAHLLOKOSA-N 317.349 -0.724 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNc1nc[nH]c2ncnc1-2 1111435740 BHTNBFIHEWIKRK-VIFPVBQESA-N 303.326 -0.303 30 20 DBED N#Cc1cncc(NCCN(CCO)C(=O)c2cn[nH]c2)n1 1111444071 KAEGTHZGZHPQJY-UHFFFAOYSA-N 301.310 -0.382 30 20 DBED CO[C@@H](C)C(=O)NC1(CO)CCN(c2ccc(C#N)nn2)CC1 1112651685 WKVGIYISIUJRSI-NSHDSACASA-N 319.365 -0.169 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)Cc2cc(C)on2)CC1 1112721754 NVUQYDAMJZBWBF-ZDUSSCGKSA-N 318.377 -0.192 30 20 DBED Cc1ccc(N2C[C@H](CNC(=O)CSCC#N)[C@@H](O)C2)nn1 1112724618 BLKKMUAWUJNJSO-RYUDHWBXSA-N 321.406 -0.045 30 20 DBED C[C@@H](CNC(=O)[C@H]1CN(C)CCO1)N(C)c1ccnc(C#N)n1 1113534352 YDLODOFHLGCTNC-NWDGAFQWSA-N 318.381 -0.380 30 20 DBED C[C@H](NC(N)=O)C(=O)NC[C@@H](C)N(C)c1ccc(C#N)cn1 1113578420 ZPYRWUYKAZWLAE-ZJUUUORDSA-N 304.354 -0.049 30 20 DBED C#CCOCCC(=O)N[C@H]1[C@@H]2CN(Cc3nnc(C)o3)C[C@@H]21 1114265374 CWDXMAWGTICTFY-JYAVWHMHSA-N 304.350 -0.036 30 20 DBED C#CCN1C[C@H]2C(NC(=O)CCCN3C(=O)CCC3=O)[C@@H]2C1 1114371887 MRNIMSZIAATAJO-VXGBXAGGSA-N 303.362 -0.405 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)C[C@@H]3CCNC3=O)[C@@H]2C1 1114397032 GKISUOTVUQCDGY-YNEHKIRRSA-N 305.378 -0.791 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)[C@H]3OCCO[C@H]3C)[C@H]2C1 1114422007 VPWQOWRHDLLLOC-AHDPXTMNSA-N 308.378 -0.514 30 20 DBED C=CCOCCN1C[C@H]2C(NC(=O)[C@@H]3COCCN3CC)[C@@H]2C1 1114496566 OWSJLAUUPGNHCJ-KFWWJZLASA-N 323.437 -0.044 30 20 DBED C=CCCOCC(=O)NC1[C@H]2CN(Cc3cn(C)nn3)C[C@H]12 1115330384 LPFQZGIYVHTIFV-STQMWFEESA-N 305.382 -0.046 30 20 DBED C#CCSCC(=O)NS(=O)(=O)[C@H](C)[C@H](C)C(=O)OC 1119488188 PEDPPKZRAORXMB-DTWKUNHWSA-N 307.393 -0.004 30 20 DBED C#C[C@@H](NC(=O)C(=O)N[C@H]1CC[C@@H](C(=O)OC)C1)[C@H]1CCCO1 1119864471 FKLWACZAUMYYJC-YVECIDJPSA-N 322.361 -0.259 30 20 DBED Cn1cc(C(=O)NC[C@H](CO)Nc2ccc(C#N)cn2)cn1 1121026608 ZFPPUMWIHQFUAR-GFCCVEGCSA-N 300.322 -0.110 30 20 DBED CSC[C@@H](C)C(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1 1121239865 FBLFOMABCBTCHJ-ZJUUUORDSA-N 309.395 -0.342 30 20 DBED C#CCCCC(=O)NC[C@@H](CO)Nc1cc(C)nc(CO)n1 1121371426 NIZYZYFZWUXWRT-LBPRGKRZSA-N 306.366 -0.030 30 20 DBED CCOCCOCC(=O)NC[C@H](CO)Nc1cncc(C#N)n1 1121676330 IPHXPQWGPBOXKR-GFCCVEGCSA-N 323.353 -0.710 30 20 DBED CC[C@@H](C(=O)NC[C@H](CO)Nc1ccc(C#N)nn1)N(C)C 1121812654 NTAKZYUVRLZCHN-NEPJUHHUSA-N 306.370 -0.423 30 20 DBED N#Cc1nc(=N[C@@H](CO)CNC(=O)CCc2cnc[nH]2)cc[nH]1 1122746680 AXOYHLZWJNMITK-LLVKDONJSA-N 315.337 -0.985 30 20 DBED CO[C@@H](C)C(=O)N(C)C[C@H](O)CNc1nc(C)cc(C#N)n1 1124124027 LIXOOHKCLAPGGU-CMPLNLGQSA-N 307.354 -0.077 30 20 DBED CN1CC[C@H](C(=O)N(C)C[C@@H](O)CNc2cncc(C#N)n2)C1 1124353082 TYUDQDQAFSRDGE-AAEUAGOBSA-N 318.381 -0.469 30 20 DBED N#Cc1ccc(C(=O)NCCNCCN2C(=O)CCC2=O)[nH]1 1125818463 IIUUHFGNWBNWIN-UHFFFAOYSA-N 303.322 -0.645 30 20 DBED Cc1cc(NC(=O)CNCCNC(=O)C#CC2CC2)n(C)n1 1126885473 GZIPYBQEWPTARN-UHFFFAOYSA-N 303.366 -0.214 30 20 DBED C=CCNCc1nnc2n1CC[C@H](NC(=O)CC(N)=O)CC2 1127985398 WMFKSQLYKULYMT-SNVBAGLBSA-N 306.370 -0.750 30 20 DBED CNC(=O)[C@@H](C)N1CCn2ncc(CNC(=O)[C@@H](C)C#N)c2C1 1128265196 VTICTRNDBCCTKT-WDEREUQCSA-N 318.381 -0.391 30 20 DBED CC#CCN[C@@H]1CN(C(=O)c2n[nH]cc2C)C[C@@H]1n1ccnn1 1129816487 CCWNGUFEBDAMGI-OLZOCXBDSA-N 313.365 -0.012 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)c1cn2c(n1)COCC2 1130248859 WOHQFFDHLGSEBS-NSHDSACASA-N 321.381 -0.577 30 20 DBED C#CCN1CC[C@H](c2n[nH]cc2CNC(=O)CS(C)(=O)=O)C1 1130355729 QNYSHUXPHWVXCJ-NSHDSACASA-N 324.406 -0.507 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)c1cc(C(N)=O)cn1C 1130893206 FGVKOIUSHDGEJI-SNVBAGLBSA-N 321.381 -0.866 30 20 DBED COCC#CCNCCNC(=O)C[C@@H]1CCCS1(=O)=O 1131874147 PUWFSQMHOFRKHA-LBPRGKRZSA-N 302.396 -0.691 30 20 DBED C#CCNC(=O)CN1C[C@H](NC(=O)c2cnnn2C)CC[C@@H]1C 1132003456 VSBYNONUGHCKNA-NWDGAFQWSA-N 318.381 -0.853 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)CCn2ccnc2)C1=O 1132082562 RIOCIWGIDXUDKD-ZDUSSCGKSA-N 305.382 -0.234 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@@H]1CCC(=O)N1C(C)C 1132795798 YZTYGSHEMCBSER-LBPRGKRZSA-N 310.398 -0.606 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)C[C@H](C)NCC#CCOC 1134130338 GPTSHRAAUDQRNM-KBPBESRZSA-N 307.394 -0.351 30 20 DBED N#CCNC(=O)CNCCNC(=O)[C@H]1CCc2ccccc2O1 1135516328 NULUUWHZJGDRLG-CQSZACIVSA-N 316.361 -0.274 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cc(C(C)C)nn1C 1146391349 DCZBDBQTGMBFJR-UHFFFAOYSA-N 305.382 -0.388 30 20 DBED C#CCCN1CCCO[C@H](CNC(=O)CCn2ccnn2)C1 1149614462 FAQZDHIFXQDZDC-CQSZACIVSA-N 305.382 -0.101 30 20 DBED C=CCO[C@@H](C)C(=O)NCCNCCNS(=O)(=O)CC 1153148442 DRBNVEYXJLWMLF-NSHDSACASA-N 307.416 -0.777 30 20 DBED CCN(CC#N)[C@H](C)CNC(=O)CN1C(=O)NC(=O)C1(C)C 1156183174 SKSDKCAVMBLITO-SNVBAGLBSA-N 309.370 -0.333 30 20 DBED N#CCN1CC=C(CCNC(=O)CCCS(N)(=O)=O)CC1 1161071219 WKVZODZMDQCAJD-UHFFFAOYSA-N 314.411 -0.283 30 20 DBED C=CC(C)(C)C(=O)NCCCNCc1cc(=O)n(C)c(=O)n1C 1163964360 YVJCAEZSYANOSW-UHFFFAOYSA-N 322.409 -0.108 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)[C@H]2CCC(=O)N2C)C1=O 1164480517 AWPGSOJULGKMJK-CHWSQXEVSA-N 322.409 -0.510 30 20 DBED C=CCCCN1CCO[C@H]2CCN(C(=O)Cn3cnnn3)C[C@H]21 1176901123 WCXWKVGNPJFXMH-KGLIPLIRSA-N 320.397 -0.059 30 20 DBED C#CCCCC(=O)N1CC[C@H](NCCN2C(=O)CNC2=O)[C@@H]1C 1178582395 ZIYZURAWTKRDJG-STQMWFEESA-N 320.393 -0.079 30 20 DBED Cn1cncc1C(=O)NCCCCCCNCC(=O)NCC#N 1178956064 VWDYIJGSCQHFQJ-UHFFFAOYSA-N 320.397 -0.060 30 20 DBED C[C@@H]1CN(C(=O)[C@H]2CCOC2)C[C@@]1(C)CNCC(=O)NCC#N 1180859041 ZXBMLZKAIMIJMP-DVOMOZLQSA-N 322.409 -0.263 30 20 DBED C=CCNC[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)C[C@@H]1C 1185643699 YXBWDXRSXFGURF-NWDGAFQWSA-N 308.382 -0.202 30 20 DBED COCCC[C@H](C)C(=O)N1CC[C@@H](NCC(=O)NCC#N)C1 1186887598 ZGJOYDDAJVDUMR-QWHCGFSZSA-N 310.398 -0.121 30 20 DBED CN(C)CCCCC(=O)N1CC[C@@H](NCC(=O)NCC#N)C1 1187239862 FRNIFYNGDCRKRI-CYBMUJFWSA-N 309.414 -0.451 30 20 DBED Cn1cc(CCC(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)cn1 1188079889 LTTXZOWBUHXOJM-CYBMUJFWSA-N 318.381 -0.817 30 20 DBED Cc1cnc(CN2C[C@@H](O)[C@H](NC(=O)CSCC#N)C2)o1 1191161761 KGXDHIAIEIHAED-GHMZBOCLSA-N 310.379 -0.099 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2c(C)ccn2C)C1 1192437958 NEXRRFSOPSNAJE-CHWSQXEVSA-N 320.393 -0.589 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2nccnc2C)C[C@H]1O 1192891815 QIZGKSQQHDFDIN-BPLDGKMQSA-N 318.377 -0.515 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2[nH]cnc2CC)C1 1193776238 FCBLUBLUWLLMHP-LBPRGKRZSA-N 317.393 -0.132 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC[C@@H](N(C)Cc2nnnn2C)C1 1194397302 SKJSPWZLFQKMFT-NWDGAFQWSA-N 308.386 -0.166 30 20 DBED COCCOC[C@@H](O)CN1CCCN(C(=O)[C@H](C)C#N)CC1 1195314818 UJYMKSHJTXLJFF-KGLIPLIRSA-N 313.398 -0.296 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2cc(C)co2)C1 1195460328 QIDXXOMLRFRIIO-VXGBXAGGSA-N 307.350 -0.335 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCCN(C(=O)Cc2nc[nH]n2)CC1 1197767668 GSLBHWAQNDKJKO-GFCCVEGCSA-N 320.397 -0.428 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)CNC(=O)c2cccc(F)c2)C1 1198359403 LDVJSMUSHAOYCA-ZIAGYGMSSA-N 321.352 -0.097 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)Cn2cnnc2O)CCCO1 1200298285 FAEJQKFLJHMFTI-GFCCVEGCSA-N 307.354 -0.786 30 20 DBED COC[C@H](O)CNC[C@@H]1CN(C(=O)C#CC(C)C)CCCO1 1200469059 BBKZALZBKUIFAZ-HUUCEWRRSA-N 312.410 -0.140 30 20 DBED C#CCNC[C@@H]1CN(C(=O)CN2CCCCC2=O)CCCO1 1200874617 UZOHYIAWCVYVAR-CQSZACIVSA-N 307.394 -0.161 30 20 DBED C=C(Cl)CNC1CCN(C(=O)CNS(=O)(=O)NC)CC1 1201839060 IRCNVGLOUCWKAG-UHFFFAOYSA-N 324.834 -0.627 30 20 DBED N#CCNC(=O)CN[C@@H]1C[C@@H](NC(=O)c2cnn[nH]2)C12CCC2 1203116404 ZSNRYVAFNHKNME-GHMZBOCLSA-N 317.353 -0.925 30 20 DBED N#CCNC(=O)CNC1CCN(C(=O)CN2CCCC2)CC1 1203705271 QJFPZZBBCYVSEC-UHFFFAOYSA-N 307.398 -0.697 30 20 DBED N#CCNC(=O)CN[C@H]1C[C@H]2CC[C@H]1N(C(=O)c1cnn[nH]1)C2 1204520544 SBVDPGNPQUPLQB-JFGNBEQYSA-N 317.353 -0.973 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)c1cccn1C 1205984321 WQPNYORLKZLHKT-VXGBXAGGSA-N 303.366 -0.285 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)c2cnns2)[C@H](C)C1 1206268468 SASZPWYPIZJQKZ-OUAUKWLOSA-N 321.406 -0.274 30 20 DBED C=CCN1C[C@@H](NC(=O)CS(=O)(=O)CCOC)[C@H](C)C1 1207728947 YBEKWWMZIHIZEP-VXGBXAGGSA-N 304.412 -0.330 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)c1cc(F)c[nH]1 1208019412 MAFJGNVKMOTNRW-BXKDBHETSA-N 307.329 -0.156 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)Cn2nccn2)C1 1208230497 JPRTVYIVTQSSIO-LBPRGKRZSA-N 306.370 -0.839 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 1208328982 LTEXQANNMKABID-CQSZACIVSA-N 320.437 -0.199 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)C2CC(OC)C2)C1 1208384852 YCFQJTBFDPYGBR-ROKHWSDSSA-N 307.394 -0.259 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)CC(=O)N(C)C)C1 1210010944 ROWBEZMKDNMBON-GFCCVEGCSA-N 310.398 -0.653 30 20 DBED C=C(C)CN[C@@H]1CCCN(C(=O)[C@@H](CCC(N)=O)NC(C)=O)C1 1210154404 KYVITNRSVPUPCB-ZIAGYGMSSA-N 324.425 -0.087 30 20 DBED COCC#CCN1C[C@@H](NC(=O)C[C@@H]2CCN(C)C2)[C@H](OC)C1 1213718839 CGZKWKIDKXPFOI-ARFHVFGLSA-N 323.437 -0.207 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2ccnnc2)C[C@H]1C 1215660713 SEXHBGDYRWGKQV-YRGRVCCFSA-N 315.377 -0.335 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CN(CC(=O)N2CCCCC2)C[C@@H]1O 1219366098 REIOKFQTQRUBEU-XQQFMLRXSA-N 308.382 -0.680 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)CCn2c(C)csc2=O)C1 1219807038 XFUVYYUOIDYCNC-NEPJUHHUSA-N 309.391 -0.597 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)c2ccc(COC)o2)C1 1219971670 KINNQNDSWOHMCO-KGLIPLIRSA-N 322.361 -0.149 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2CCC)C1 1220307350 QSXQJGBQIZUBPV-SYQHCUMBSA-N 309.410 -0.114 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@@H](C)NC(=O)CC(C)(C)C)C1 1220735660 JPAXGYHSXHVJAJ-UPJWGTAASA-N 309.410 -0.278 30 20 DBED C[C@H](C(=O)NC(N)=O)N1CC[C@@H]2CN(C(=O)C#CC3CC3)[C@@H]2C1 1221535035 JQNFILRURUXOND-RAIGVLPGSA-N 318.377 -0.484 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@@H](C)OCC=C)C1 1222067068 BOTKNGZJLSJESR-ZIAGYGMSSA-N 307.394 -0.093 30 20 DBED Cn1nnnc1CN1CCC(CNC(=O)C#CC2CC2)CC1 1223130867 UDNOUCNCSHPJND-UHFFFAOYSA-N 302.382 -0.048 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)c2csnn2)CC1 1223945404 QFXPWVNVMAUXDW-UHFFFAOYSA-N 321.406 -0.271 30 20 DBED C=C[C@@](C)(O)CC(=O)N(C)C[C@H]1CCN1Cc1nc(O)n[nH]1 1233976770 HTLFLUOWSKYPOE-QMTHXVAHSA-N 309.370 -0.130 30 20 DBED C=C[C@](C)(O)CC(=O)N(C)C[C@@H]1CCN1CCS(C)(=O)=O 1233977763 ORAFSOXPQXYLRK-JSGCOSHPSA-N 318.439 -0.109 30 20 DBED C#CCCN1CC[C@@H]1CN(C)C(=O)CN1CCCS1(=O)=O 1235050593 FKZUPAYXDPPQIX-CYBMUJFWSA-N 313.423 -0.422 30 20 DBED C#CCOCCNC(=O)C(=O)Nc1ccnc(C(=O)N(C)C)c1 1254591577 SNNYSWYGQDIEEH-UHFFFAOYSA-N 318.333 -0.512 30 20 DBED C=CC(=O)NCc1ccc(C(=O)NCC(=O)NCC#N)cc1 1261144183 AJWNHTQGDSYKLK-UHFFFAOYSA-N 300.318 -0.142 30 20 DBED COCC#CC(=O)N1CCC[C@H](CNS(=O)(=O)C2CC2)C1 1261742321 QWNBYDLGZUGLKJ-GFCCVEGCSA-N 314.407 -0.043 30 20 DBED Cc1nn(C)c(C)c1C(=O)N1CC[C@H](NCC(=O)NCC#N)C1 1265923705 XEWCOUOWGRIKJV-LBPRGKRZSA-N 318.381 -0.519 30 20 DBED C#C[C@H](C)N(C)C(=O)C(=O)Nc1ccc(=O)n(CCOC)c1 1320857863 ATSWFKNQDCLCCS-NSHDSACASA-N 305.334 -0.087 30 20 DBED CC(=O)NC[C@@H]1CN(C(=O)C(=O)NCCCCC#N)CCO1 1324372990 BVFPFRGBLBPIQS-GFCCVEGCSA-N 310.354 -0.840 30 20 DBED C=CCN1CCC(NC(=O)C(=O)NCCC(=O)N(C)C)CC1 1325677371 KNSPNSNXPVIYOW-UHFFFAOYSA-N 310.398 -0.653 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N[C@H](C)CO[C@@H]1CCOC1 1327108405 RZHGRNZUJVVKMB-IJLUTSLNSA-N 300.355 -0.386 30 20 DBED CCN(CCCO)C(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1329271732 CJZLNDZWKHUQKQ-CYBMUJFWSA-N 308.382 -0.584 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)CCN1C1CC1 1330017076 OAZDYMAAYMXUOZ-DGAVXFQQSA-N 318.377 -0.379 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N[C@@H](C)CS(C)(=O)=O 1330936396 CORAJKPPIYVFEL-NSHDSACASA-N 318.395 -0.966 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N[C@@H]1CCCN(CC)C1=O 1333637263 GREVVHCRWKTSHN-QWHCGFSZSA-N 323.393 -0.342 30 20 DBED C=CCC1(O)CCN(C(=O)C(=O)N2CC(=O)N[C@@H](C)C2)CC1 1338189314 BGXBGSQUDOVQAK-NSHDSACASA-N 309.366 -0.737 30 20 DBED C[C@@]1(CNC(=O)C(=O)NC2CCN(CC#N)CC2)CCOC1 1342075897 KPYCNGNBPICDEW-HNNXBMFYSA-N 308.382 -0.367 30 20 DBED C=CCn1c(-c2ncnn2C)nnc1N(C)CCC(=O)NC 1342441954 BEJOIYGDAZDOHE-UHFFFAOYSA-N 304.358 -0.168 30 20 DBED C=CCCOCCn1nnnc1N(C)CCS(C)(=O)=O 1355638949 QFYRSPLTSMIMEA-UHFFFAOYSA-N 303.388 -0.253 30 20 DBED N#Cc1cn(CCNC(=O)c2cnn(C3CC3)c2)c(=O)nc1O 1362690357 SFBHIHOLEKJUAS-UHFFFAOYSA-N 314.305 -0.218 30 20 DBED N#Cc1cn(CCNC(=O)CCCn2ccnc2)c(=O)nc1O 1363002370 OPCVUSOHMXNPRA-UHFFFAOYSA-N 316.321 -0.386 30 20 DBED C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)N2CC(C#N)C2)cc1 1363114028 XYBQPGKSLHWWEG-SNVBAGLBSA-N 323.374 -0.059 30 20 DBED CC[C@@](C)(CNC(=O)NCCn1cc(C#N)c(O)nc1=O)OC 1364643896 YGJMPGPLBRXYAM-AWEZNQCLSA-N 323.353 -0.065 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](C)CCNC(=O)c1nc2ncccn2n1 1373325845 FUZZTISFHPYXRM-VHSXEESVSA-N 315.337 -0.091 30 20 DBED Cc1ncc(C(=O)N(C)C[C@@H](O)CNC(=O)[C@@H](C)C#N)n1C 1384254239 LMNNNQMUNUOGSV-ONGXEEELSA-N 307.354 -0.563 30 20 DBED COc1c[nH]c(C(=O)NCC2(NC(=O)[C@@H](C)C#N)CC2)cc1=O 1400626398 FVLFXMHEPCIQME-VIFPVBQESA-N 318.333 -0.078 30 20 DBED COc1c[nH]c(C(=O)N[C@H](C)CNC(=O)[C@@H](C)C#N)cc1=O 1415256651 JRLPIPNBFIRELC-DTWKUNHWSA-N 306.322 -0.222 30 20 DBED CC[C@H](C)NC(=O)CNC[C@H](O)CNC(=O)c1cc(C#N)c[nH]1 1422291408 WLZNRBVHWLWIDA-JQWIXIFHSA-N 321.381 -0.519 30 20 DBED CNC(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)[C@@H](C)CC#N)C1 1424661358 DGEBSPCBBBPITI-WDEREUQCSA-N 317.415 -0.141 30 20 DBED C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@H](C)NS(C)(=O)=O)C1 1441419090 LJERMUWEDGUCGE-GUBZILKMSA-N 309.819 -0.087 30 20 DBED CCCN(CCNC(=O)[C@H](C)C#N)C(=O)C1CN(C(C)=O)C1 1449782649 VIJSJUIIFWXLGF-LLVKDONJSA-N 308.382 -0.021 30 20 DBED C[C@H](CCNC(=O)c1cnn(C)n1)NC(=O)c1ccc(C#N)[nH]1 1455067187 OZEJPXDZZRQKLZ-SECBINFHSA-N 315.337 -0.047 30 20 DBED C[C@H](C#N)C(=O)NC1CN([C@H](C)C(=O)NC(=O)NC(C)(C)C)C1 1481551331 WQZXHOGPTPBDJT-NXEZZACHSA-N 323.397 -0.041 30 20 DBED CNC(=O)NCC(=O)N1CCC[C@H]1CN(C)C(=O)[C@H](C)C#N 1486554911 GFGLHCSYKCABLC-MNOVXSKESA-N 309.370 -0.476 30 20 DBED CC(C)S(=O)(=O)CC(=O)NCC[C@@H](C)NC(=O)[C@@H](C)C#N 1495544378 MMRDHMZTFXMLNM-WDEREUQCSA-N 317.411 -0.020 30 20 DBED C[C@H](C#N)C(=O)NCC1CN(C(=O)COCc2nncn2C)C1 1498678551 ROSXPGFZDUBWDE-SNVBAGLBSA-N 320.353 -0.934 30 20 DBED CC(C)C[C@H](CNC(=O)[C@H](C)C#N)NC(=O)Cn1cnnn1 1532424140 NRGWVEZVWQOGMO-GHMZBOCLSA-N 307.358 -0.520 30 20 DBED Cc1nnc(N2CCO[C@@H](C#N)C2)n1CCCn1ccnn1 1543338824 CRRZLPMMCOFCRY-LBPRGKRZSA-N 302.342 -0.003 30 20 DBED N#CC1(CNS(=O)(=O)c2n[nH]cc2C(=O)O)CCOCC1 1574242548 WPURGTMAXABEEK-UHFFFAOYSA-N 314.323 -0.293 30 20 DBED C#CCOCCNC(=O)N1CC[C@H](n2cc(C(=O)O)nn2)C1 1588491746 UOTYHINKAGAUNJ-JTQLQIEISA-N 307.310 -0.418 30 20 DBED C=CCN1C[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@H](OC)C1 1588656874 ARNSAZSMCGQRCV-VXGBXAGGSA-N 317.353 -0.190 30 20 DBED N#C[C@@]12CN(C(=O)c3cc(C(=O)O)n[nH]3)C[C@H]1CS(=O)(=O)C2 1594611044 LZBBVHUUKOPEHC-MADCSZMMSA-N 324.318 -0.882 30 20 DBED N#CCN1CCC(CNC(=O)Cn2cc(C(=O)O)cn2)CC1 1601073506 YUMZGFRZUBSUSE-UHFFFAOYSA-N 305.338 -0.067 30 20 DBED N#Cc1ccc([C@H](C(N)=O)N2C[C@@H](O)C[C@H](C(=O)O)C2)cc1 1601095108 HQEMURAKZMNWSU-RWMBFGLXSA-N 303.318 -0.148 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)O[C@H]1CCN(CC(=O)O)C1=O 1602709984 NHNUYCWFCAWGKE-QWRGUYRKSA-N 312.322 -0.314 30 20 DBED C[C@@](O)(C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[nH]1)C1CCC1 1603691442 UAWHRWIIJOYFNA-LBPRGKRZSA-N 302.298 -0.049 30 20 DBED N#Cc1cncc(NCCN(CCO)C(=O)[C@H]2C[C@@H]2C(=O)O)n1 1608222665 KDVSNUPHWIKUKA-QWRGUYRKSA-N 319.321 -0.698 30 20 DBED C=CCOCCN[C@H]1C[C@@H](NC(=O)CN2CCOCC2=O)C1 1752733484 TWLRRPWHRZVKIW-BETUJISGSA-N 311.382 -0.715 30 20 DBED COCC#CCN[C@H]1C[C@@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1752745726 LRXLHQYXVRDZNQ-ARKGTOAJSA-N 322.405 -0.076 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@H](C)NCC(=O)NC(=O)NCC 1752870755 NBBROMWDCAVHMU-QMTHXVAHSA-N 314.386 -0.747 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC(CNC(=O)[C@@H]2CCC(=O)NC2)C1 1753406319 QKMRBEJHLZRLQN-DGCLKSJQSA-N 322.409 -0.749 30 20 DBED COCC#CCN1CC(CNC(=O)CS(=O)(=O)C(C)C)C1 1753418151 UOXGPAJMRIYMGU-UHFFFAOYSA-N 316.423 -0.493 30 20 DBED C[C@H]1CN(C(=O)CCCS(N)(=O)=O)CC[C@H]1NCC#N 1753763895 XIWIPMIOLRRAGP-WDEREUQCSA-N 302.400 -0.595 30 20 DBED C=C(C)CN(CC)C(=O)CNC[C@H](C)NC(=O)c1cnn(C)n1 1754289306 ZYHIVWSUDRJXGB-LBPRGKRZSA-N 322.413 -0.052 30 20 DBED N#CCNC(=O)CN1C[C@H]2CN(C(=O)[C@@H]3CC3(F)F)C[C@H]2C1 1754843053 XYMWJDDMDBJLTQ-AXFHLTTASA-N 312.320 -0.328 30 20 DBED N#CCNC(=O)CN1CCC[C@H](NC(=O)c2nc[nH]n2)CC1 1755029522 OJUJKKQFLCVOQB-JTQLQIEISA-N 305.342 -0.971 30 20 DBED C#CCCN[C@@]1(CO)CCCN(C(=O)[C@@H]2CCN(C)C2=O)C1 1755087564 FFMDFKKKBYVZNI-CJNGLKHVSA-N 307.394 -0.569 30 20 DBED C#CCCN[C@]1(CO)CCCN(C(=O)[C@@H]2CCN(C)C2=O)C1 1755087565 FFMDFKKKBYVZNI-CZUORRHYSA-N 307.394 -0.569 30 20 DBED C#CCN[C@@H](C)[C@H](C)NC(=O)Cn1ncn2nccc2c1=O 1755256634 NLCLMLGNLABRNK-QWRGUYRKSA-N 302.338 -0.993 30 20 DBED C=CCOCC(=O)NC1(CCO)CN(Cc2ccn(C)n2)C1 1755330398 NYTCJRXZPMELPE-UHFFFAOYSA-N 308.382 -0.324 30 20 DBED COCC#CCN[C@@H](C)[C@@H]1CN(C(=O)C2=COCCO2)CCO1 1755438838 LPTKBYGSQHBJJJ-KBPBESRZSA-N 324.377 -0.270 30 20 DBED C#CCCN(C)C[C@@H](O)CN(C)C(=O)c1c(C)ncnc1O 1755805457 XGPSYXXPENSONL-GFCCVEGCSA-N 306.366 -0.121 30 20 DBED C=CCOCC(=O)N(C)[C@H](C)CNC(=O)C(=O)NCC(F)F 1756042232 BQJABMCDAKTMOE-SECBINFHSA-N 321.324 -0.467 30 20 DBED C[C@@H](NC(=O)C#CC1CC1)C1CN(C(=O)[C@H]2CNC(=O)N2)C1 1756149543 FCAIPIGSKMMQIF-BXKDBHETSA-N 304.350 -0.956 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H]1C[C@H](NC(=O)CCNC(N)=O)C1 1756251330 WRIPVGJHSAKDCO-SRVKXCTJSA-N 324.381 -0.906 30 20 DBED C=CCOCC(=O)N[C@H](C)CN(C)C(=O)C1CS(=O)(=O)C1 1756458247 KWEQIOOHDKFGNS-SNVBAGLBSA-N 318.395 -0.803 30 20 DBED C=C(C)C(C)(C)C(=O)NC[C@@H](O)CN(C)C(=O)c1cnn(C)n1 1756667988 AUMTVXPMGAQIQQ-LLVKDONJSA-N 323.397 -0.034 30 20 DBED CC(C)(C)OCC(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1756990480 BUQOLLNAIOLDLM-CHWSQXEVSA-N 308.378 -0.097 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@H](NC(=O)Cc2[nH]cnc2C)C1 1757197658 GSOOPVRVTYSUPE-KGLIPLIRSA-N 318.377 -0.248 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)Cc1nnc(C)o1)CCO2 1783049513 CBVBADHSILHOJG-OAHLLOKOSA-N 318.333 -0.616 30 20 DBED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3CC(=O)C3)C[C@@H]21 1790794626 XRMIJHPMLHFWBE-BPNCWPANSA-N 304.346 -0.422 30 20 DBED COCCCC(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846194423 DXPRXHSJIUMOHD-UHFFFAOYSA-N 308.334 -0.296 30 20 DBED COC(=O)CCC(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846195089 ALSBEMZGZSYTBU-UHFFFAOYSA-N 322.317 -0.769 30 20 DBED CNCCCC(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846195189 MOYMQAYYPGFZGL-UHFFFAOYSA-N 307.350 -0.723 30 20 DBED C=CCNC(=O)NC(=O)CN1CCN(c2cnccn2)CC1 27630160 YBJKQFKTQLYADY-UHFFFAOYSA-N 304.354 -0.390 30 20 DBED CN(C)C(=O)N1CCN(CC(=O)N(CCC#N)CCC#N)CC1 65588801 QDJHVLVGBAAKST-UHFFFAOYSA-N 320.397 -0.058 30 20 DBED C#CCNCC(=O)NC1CCN(S(=O)(=O)CCC)CC1 92492280 LZLMMYIPZUHVNN-UHFFFAOYSA-N 301.412 -0.470 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(C[C@H](F)C(=O)OC)c1=O 126351273 NWZREJBVNOBWDN-VIFPVBQESA-N 313.285 -0.945 30 20 DBED C#CCCCCC(=O)N[C@H](C)C(=O)N1CCS(=O)(=O)CC1 180026530 XJRASKIMVZWEED-GFCCVEGCSA-N 314.407 -0.058 30 20 DBED CCC(=O)N1CC[C@H](N/C(=N\C)NCCS(C)(=O)=O)C1 261986573 QGWFUQDAKMJLNC-JTQLQIEISA-N 304.416 -0.793 30 20 DBED CCS(=O)(=O)NCCN/C(=N/C)N1CC[C@]2(CCOC2)C1 261991019 RGNJTXQJFBDGQO-ZDUSSCGKSA-N 318.443 -0.387 30 20 DBED C/N=C(/NC[C@@H]1CN2CCN1CC2)N1CC[C@]2(CCOC2)C1 261999737 UBSGBTPUKIIKPS-ZBFHGGJFSA-N 307.442 -0.326 30 20 DBED CCn1cc(C#N)c(=O)n(CC(=O)N[C@H]2CCSC2=O)c1=O 266154461 XZTOQGAHVWCOJE-VIFPVBQESA-N 322.346 -0.950 30 20 DBED Cc1cccc(NC(=O)C(=O)N2CCO[C@@H](C(N)=O)C2)c1C#N 266608535 ZJNBNLBQCGSKDD-GFCCVEGCSA-N 316.317 -0.482 30 20 DBED CCn1nc(C)c(S(=O)(=O)NCCn2cnc(C#N)n2)c1C 285569519 KCWBRWYFXMGICU-UHFFFAOYSA-N 323.382 -0.038 30 20 DBED C#CCNC(=O)CCN(C)c1c(O)nc(=O)n(CCCC)c1N 292720855 FVCVMGCWBBOUBL-UHFFFAOYSA-N 321.381 -0.093 30 20 DBED C#CCNCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 316409849 QQNXYSRWOZRHDB-UHFFFAOYSA-N 321.402 -0.258 30 20 DBED CC(C)N1C(=O)C[C@H](NC(=O)C(O)=Nc2ccnn2C)C1=O 331323420 MGDIHYYFVHOJOP-QMMMGPOBSA-N 307.310 -0.340 30 20 DBED C[C@H](O)[C@@H]1CCCCN1S(=O)(=O)N1CCO[C@@H](C#N)C1 336929557 ANGZAHIXCMHJTN-SRVKXCTJSA-N 303.384 -0.309 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCO[C@@H](C(=O)NC)C1 336937291 GTMSLROUYFURQB-GHMZBOCLSA-N 318.399 -0.840 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N(CC)[C@H]1CCNC1=O 337186460 DEHPEQDZFNTKGR-MNOVXSKESA-N 302.400 -0.077 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)NCc1cc(C(N)=O)no1 337750551 FSLKFQVUAHSOHW-SSDOTTSWSA-N 301.328 -0.658 30 20 DBED CSCC[C@@H](NS(=O)(=O)N(C)CCC#N)C(=O)N(C)C 341639608 FTRPTMXXSVMJDV-SNVBAGLBSA-N 322.456 -0.124 30 20 DBED C=CCCOCCNC(=O)C(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@H]1[C@@H]3O 342012201 BXZQDALRWZIGRO-PDWCTOEPSA-N 308.378 -0.077 30 20 DBED CC(C)[C@@H](NC(=O)NC(C)(C)C)C(=O)NCC(=O)NCC#N 344156734 NGJZBAMLBFKDHL-LLVKDONJSA-N 311.386 -0.135 30 20 DBED N#Cc1ccc(CNC(=O)CN2CCN(C(=O)CO)CC2)cc1 348287630 GWFGGOONQFSOCK-UHFFFAOYSA-N 316.361 -0.689 30 20 DBED CN(CCC#N)S(=O)(=O)N1CCC[C@@H](CS(N)(=O)=O)C1 355429797 ODYLYWSIWMWPRY-SNVBAGLBSA-N 324.428 -0.923 30 20 DBED CCN(C[C@H](C)O)C(=O)C(=O)Nc1nn(C(C)C)cc1C#N 356701269 YWYMMTWRFHUDDK-JTQLQIEISA-N 307.354 0.503 30 20 DBED CNC(=O)CC(=O)N1C[C@H](C#N)[C@@]2(C1)C(=O)Nc1ccccc12 356992646 YTWZVOXACWDMRH-MGPLVRAMSA-N 312.329 -0.005 30 20 DBED N#CCNC(=O)CNC(=O)C(=O)Nc1ccc2c(c1)CCO2 357315473 UMBAAGJAFRYSMD-UHFFFAOYSA-N 302.290 -0.684 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N[C@@H](CN)C2CCCC2)nn1 424548303 PRMZMCRGOBDISS-ZDUSSCGKSA-N 320.397 -0.286 30 20 DBED C=C(C)CCNC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 452726679 VYQOPXCJDBHRRV-UHFFFAOYSA-N 319.365 -0.094 30 20 DBED C=CCNC(=O)NC(=O)CN[C@](CC)(COC)C(=O)OC 459580574 BJASJVLDSICOHA-CYBMUJFWSA-N 301.343 -0.444 30 20 DBED COCCN1CN(C(=O)CNc2ccc(C#N)cn2)CC1=O 558732821 MHFOOMNWWNWDMN-UHFFFAOYSA-N 303.322 -0.360 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)Cc2cc(C)nn2C)CC1 570517991 RDILUISODIECRE-UHFFFAOYSA-N 319.409 -0.283 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(Cc2conc2C)c1=O 573863077 GKCJFBVXIDXBRV-UHFFFAOYSA-N 304.306 -0.112 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@H](CC(=O)OC)C(=O)O 579125729 GQHULHUAWANSBX-DTWKUNHWSA-N 321.355 -0.681 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)N2CCC(CCC(=O)O)CC2)CCO1 595977425 IQDSIGVXMGAHQA-LBPRGKRZSA-N 323.349 -0.159 30 20 DBED N#Cc1ccccc1OC[C@H](O)CNC1(C(N)=O)CCOCC1 599470288 NSPVBJMEYKLXDE-CYBMUJFWSA-N 319.361 -0.078 30 20 DBED Cn1c(NCCCN2CCCCC2=O)c(C#N)c(=O)n(C)c1=O 609287994 NGFZJYIYOHSBPP-UHFFFAOYSA-N 319.365 -0.230 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@H](N(C)C)[C@@H]2C)C1=O 615308346 MGDRMRMWXNADBP-WDEREUQCSA-N 322.365 -0.486 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCC2(N)CCCC2)C1=O 662864800 HPGRJRQKEINKON-UHFFFAOYSA-N 308.338 -0.649 30 20 DBED C#CC[C@H](CO)NS(=O)(=O)c1n[nH]cc1C(=O)OCC 717769679 KICQAEGRFMCSOG-MRVPVSSYSA-N 301.324 -0.751 30 20 DBED C#CCC[C@@H](O)CNS(=O)(=O)c1cc(C(=O)O)n(C)c1 717918507 BYMMPDVDAXZABI-SECBINFHSA-N 300.336 -0.224 30 20 DBED C#CCN1CCN(C(=O)C2CCC3(CC2)NC(=O)NC3=O)CC1 733162179 JASMKVNBUJCWGQ-UHFFFAOYSA-N 318.377 -0.468 30 20 DBED CO[C@H]1CN(C(=O)C(=O)Nc2cnn(CC#N)c2)C[C@H]1OC 754010608 BXMABLKDCAMXDD-PHIMTYICSA-N 307.310 -0.783 30 20 DBED N#Cc1cc(S(N)(=O)=O)ccc1N1CC[C@@H](NC(N)=O)C1 762577858 UKSNGUBQZHJRJL-SECBINFHSA-N 309.351 -0.547 30 20 DBED COC[C@H](C#N)OC(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 786378341 WRFMBRRICSFPLY-MMUTTWDGSA-N 322.317 -0.379 30 20 DBED C=C(CO)C(=O)N1CCN(CC(=O)Nc2cc(C)on2)CC1 791309167 NQHRYPXJHQDJBX-UHFFFAOYSA-N 308.338 -0.386 30 20 DBED COC[C@@H](NC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)C(N)=O 791671425 MNEWMPMRYCWIEP-QWHCGFSZSA-N 300.318 -0.143 30 20 DBED C#CCCS(=O)(=O)N1CCN([C@H](C)CC(=O)OC)CC1 808299425 JJUDPNCYTXEFFW-GFCCVEGCSA-N 302.396 -0.091 30 20 DBED C#CCCCC(=O)OCc1c(N(C)C)n(C)c(=O)n(C)c1=O 814061679 UFOHAZBQHCQVSD-UHFFFAOYSA-N 307.350 -0.003 30 20 DBED Cc1cc(O)cc(=O)n1CCC(=O)N[C@H]1CCCN(O)C1=O 816754055 VUBKWPZFJDUCRE-NSHDSACASA-N 309.322 -0.251 30 20 DBED C[C@@H](CNC(=O)[C@](C)(C#N)CC(=O)O)CN1CCN(C)CC1 820095481 FGPXNCNUXUQPAL-WFASDCNBSA-N 310.398 -0.009 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)NCC1([S@@](C)=O)CC1 829546044 BLLMCTULHUYYDY-OAQYLSRUSA-N 314.407 -0.488 30 20 DBED N#C[C@H]1CNC[C@H]1NC(=O)CCNS(=O)(=O)c1ccccc1 834505747 NNVUSZXLLDVNHL-WCQYABFASA-N 322.390 -0.417 30 20 DBED C#CCO[C@@H](C)C(=O)OCC(=O)N(CC)CC(=O)NC(C)C 837849813 ZBKDZNZWDLOOMD-LBPRGKRZSA-N 312.366 -0.059 30 20 DBED COC(=O)[C@@H]1CN(CN2CCN(C3CC3)[C@@H](C#N)C2)C(=O)O1 839998580 ZZBDDMWEMAKMQU-RYUDHWBXSA-N 308.338 -0.390 30 20 DBED CC(C)(C#N)C[C@H](O)CNCCS(=O)(=O)N1CCOCC1 857234916 NDEUFWOFCHLZSO-LBPRGKRZSA-N 319.427 -0.461 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N1CCN(CC)C(=O)C1 875596628 QMMMCPMFPZFALB-LBPRGKRZSA-N 309.366 -0.778 30 20 DBED C=CCC1(O)CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 885698090 MZBNHWAUSQLNNB-LBPRGKRZSA-N 315.395 -0.141 30 20 DBED C#CC1(O)CN(C(=O)NC2CCN(C3CCN(C)CC3)CC2)C1 892521656 ASOOLHWGSHELFB-UHFFFAOYSA-N 320.437 -0.066 30 20 DBED C#CCCN1CC[C@@H](NC(=O)Cn2ncn(C)c2=O)C[C@@H]1C 947464982 YHSGAMKERMMOAL-QWHCGFSZSA-N 305.382 -0.426 30 20 DBED C#CCN1CC[C@H](NC(=O)CN2CCC(=O)NC2=O)C[C@H]1C 947899486 KJVIWKULNWNESW-NEPJUHHUSA-N 306.366 -0.469 30 20 DBED C[C@@H]1CN(C)C[C@H](C(=O)NC2CCN(C(=O)[C@H](C)C#N)CC2)O1 948110083 RJVLHWWGGBUJNK-YRGRVCCFSA-N 322.409 -0.028 30 20 DBED CC(C)(C(N)=O)C(=O)N1CC[C@@H]1CNC(=O)c1ccc(C#N)[nH]1 949448796 HRZQZDKVTUNTNS-SNVBAGLBSA-N 317.349 -0.271 30 20 DBED CN1C[C@@H](C(=O)NC[C@@H]2CCN2C(=O)C#CC2CC2)NC1=O 951470591 HSHXXMFGCLRMBX-RYUDHWBXSA-N 304.350 -0.860 30 20 DBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C1CN(C(=O)CC(N)=O)C1 954381479 YMZJVCWACJRZNI-WFASDCNBSA-N 323.393 -0.098 30 20 DBED CN(C(=O)[C@@]1(C)CCC(=O)NC1)C1CN(C(=O)C#CC2CC2)C1 955059399 FCGICDCSYRKGTD-KRWDZBQOSA-N 317.389 -0.015 30 20 DBED CCc1nc[nH]c1C(=O)N(C)[C@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1O 958918882 NUNIRTHCIGEEGS-USWWRNFRSA-N 319.365 -0.225 30 20 DBED C#CCCN1C[C@H]2[C@H](NC(=O)[C@H]3CCCN(C(N)=O)C3)[C@H]2C1 960891151 AFLRDWQGVBKTBH-IGQOVBAYSA-N 304.394 -0.153 30 20 DBED C#CCN1C[C@H]2[C@H](NC(=O)c3ccc(OCC(N)=O)cc3)[C@H]2C1 960917861 AZTJMZPHLSLAMI-FOLVSLTJSA-N 313.357 -0.156 30 20 DBED C#CCCN1C[C@H]2C(NC(=O)c3nc(O)nc(O)c3OC)[C@@H]2C1 962281845 REPAJFJXOOERSU-RKDXNWHRSA-N 318.333 -0.420 30 20 DBED O=C(NC[C@@H]1COCCN1C(=O)C#CC1CC1)[C@@H]1CCOC1 964105320 QUBGBHSYYOLBGE-ZIAGYGMSSA-N 306.362 -0.220 30 20 DBED C[C@H](C#N)C(=O)N1CC2(C[C@@H](NC(=O)c3nc[nH]n3)CO2)C1 965769113 FZNOTUXTCFATGH-RKDXNWHRSA-N 304.310 -0.936 30 20 DBED CCN(C(=O)[C@@H]1CCCNC1=O)C1CN(C(=O)[C@H](C)C#N)C1 968063255 YGVXHYKUDHWIPH-ZYHUDNBSSA-N 306.366 -0.268 30 20 DBED C=CCN1CC[C@@H](N[C@@H]2CCN(C(=O)Cc3nc[nH]n3)C2)C1=O 970445817 MXOQHBFJFDHFRT-VXGBXAGGSA-N 318.381 -0.675 30 20 DBED C=CCN1CC[C@@H](N[C@@H]2CCN(C(=O)c3nonc3C)C2)C1=O 970866452 WVTBSXOTFFEUQS-VXGBXAGGSA-N 319.365 -0.031 30 20 DBED CC[C@@H](C(N)=O)N1CCO[C@]2(CCN(C(=O)C#CC3CC3)C2)C1 972381016 KXCYWXLJEUGDCV-WMLDXEAASA-N 319.405 -0.033 30 20 DBED N#Cc1cc(C(=O)N2[C@H]3CC[C@H]2CC(NC(=O)C(N)=O)C3)c[nH]1 973654546 OMCDSTYTHKFLSQ-RYUDHWBXSA-N 315.333 -0.377 30 20 DBED CN(C[C@H]1CCN1C(=O)C#CC1CC1)C(=O)[C@H]1CCC(=O)N1 977465907 KNOKKSDTNSODSE-CHWSQXEVSA-N 303.362 -0.262 30 20 DBED C#CCCN1C[C@@H](NC(=O)CN2C(=O)CCC2=O)C(C)(C)C1 977566005 DSAACBUCXCFPBZ-GFCCVEGCSA-N 305.378 -0.015 30 20 DBED C#CCCN1C[C@@H](NC(=O)c2cn(C)c(=O)nc2O)C(C)(C)C1 977589366 LKTCQSJNCBGRSM-GFCCVEGCSA-N 318.377 -0.051 30 20 DBED C#CCN[C@@H]1CCC[C@H](NC(=O)CN2CCN(C)C(=O)C2)C1 981181958 OMOUUSZJLCXJMX-KGLIPLIRSA-N 306.410 -0.589 30 20 DBED C#CCN[C@@H]1CCC[C@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)C1 981364588 OVLYBZJMMIDAIB-MNOVXSKESA-N 320.349 -0.943 30 20 DBED CN1C(=O)CN(CC(=O)N[C@H]2CCC[C@@H](NCC#N)C2)C1=O 981456712 KWGTZODIYPFKHA-MNOVXSKESA-N 307.354 -0.579 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](CNC(=O)c2cncnc2O)C1 983212915 SSBYCSNKXANCJN-NXEZZACHSA-N 303.322 -0.080 30 20 DBED C[C@H]1[C@@H](NCc2nc(=O)n(C)[nH]2)CCN1C(=O)C#CC1CC1 986284180 ZZCUWEGOXSKLQM-JQWIXIFHSA-N 303.366 -0.399 30 20 DBED C[C@@H]1[C@@H](NCC#N)CCN1C(=O)c1ccc(S(N)(=O)=O)o1 986475931 BYHSKYJWWVNSOT-BDAKNGLRSA-N 312.351 -0.357 30 20 DBED C=CCN[C@H]1C[C@@H](C)N(C(=O)CCc2nnc(O)nc2O)C1 989089676 XVSRSABGTQBSPS-ZJUUUORDSA-N 307.354 -0.020 30 20 DBED Cc1nc(C(=O)N2C[C@@H](NCC#N)C[C@@H]2C)nn1-c1nc[nH]n1 989275431 VEVBPSASARRVSI-WPRPVWTQSA-N 315.341 -0.590 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)Cn3cncn3)C[C@]2(C)C1 993469213 JIIVQTIVGXARAU-TYNCELHUSA-N 316.365 -0.255 30 20 DBED C[C@@H]1[C@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)CCCN1CC#N 994171801 ONSLBJQWCRYGOL-GHMZBOCLSA-N 321.381 -0.191 30 20 DBED C[C@H]1[C@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)CCCN1CC#N 994171806 ONSLBJQWCRYGOL-WDEREUQCSA-N 321.381 -0.191 30 20 DBED CCc1c(C(=O)NC2CN(C(=O)[C@@H](C)C#N)C2)nnn1CC 999782618 FWNWAVYYUPNBPF-VIFPVBQESA-N 304.354 -0.039 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CC(=O)N(C)C2)C1 1000016798 HIKMWNOAZCOXJE-UHTWSYAYSA-N 321.377 -0.617 30 20 DBED C=C(C)CN[C@@H]1CCCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 1000961650 VHDYNVGSQSRKJQ-NEPJUHHUSA-N 301.412 -0.165 30 20 DBED C=CCCn1cc(C(=O)NCC2CN(C(=O)COC)C2)nn1 1002151018 WVYGXKYUQVEHTB-UHFFFAOYSA-N 307.354 -0.311 30 20 DBED CCN1CCO[C@H](C(=O)N2CCN(C(=O)[C@H](C)C#N)CC2)C1 1011217227 NNKWUXJSJMYMRU-OLZOCXBDSA-N 308.382 -0.462 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2nc(O)n[nH]2)C1 1014777527 YBBHLDCBNQNJTH-NEPJUHHUSA-N 318.381 -0.702 30 20 DBED C[C@@H](C#N)C(=O)N1CC=C(CNC(=O)[C@@H]2CNC(=O)N2)CC1 1017688416 KHYXQTXUWNORGJ-ONGXEEELSA-N 305.338 -0.898 30 20 DBED CC#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnc(O)n(C)c1=O 1017789395 OVEGLRAMRFUKGO-TXEJJXNPSA-N 316.361 -0.202 30 20 DBED C=CCN1C[C@@H]2CC[C@H](C1)N2C(=O)CC[C@H]1NC(=O)NC1=O 1018248508 BRNREDPUQFQLLQ-GRYCIOLGSA-N 306.366 -0.164 30 20 DBED N#Cc1c[nH]c(C(=O)N2CCC3(CN(C(=O)CC(N)=O)C3)C2)c1 1018888864 ACDZGHQZTQAPGK-UHFFFAOYSA-N 315.333 -0.564 30 20 DBED C#CCN[C@H]1CCN(C(=O)[C@@H]2COCCN2CC(F)F)C1 1019193153 VJQJOEZVXUGLON-RYUDHWBXSA-N 301.337 -0.224 30 20 DBED C#CCN1CC[C@H]2[C@@H](CCCN2C(=O)CN2C(=O)CNC2=O)C1 1021728671 AWNBICBBFRPPGN-STQMWFEESA-N 318.377 -0.516 30 20 DBED C#CCCN1CCC[C@H](CNC(=O)c2cn(C)c(=O)nc2O)C1 1023742913 RFRWBHPNDMFKRN-GFCCVEGCSA-N 318.377 -0.049 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCC(=O)N3)C[C@H]2O)C1 1025542869 UMXRKQDVGZQSAH-QJPTWQEYSA-N 321.377 -0.691 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)[C@H]1COCCO1 1026163703 KOEMILKLDTWMCD-MRVWCRGKSA-N 306.362 -0.222 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)[C@H]1COCCN1C 1026364470 RKWWSOZMWIRZCT-BPLDGKMQSA-N 319.405 -0.307 30 20 DBED Cn1nnnc1CN1CCC[C@H]1CNC(=O)c1ccc(C#N)[nH]1 1027834310 XFBDIDCBKRZTRW-NSHDSACASA-N 314.353 -0.196 30 20 DBED CS(=O)(=O)CCN1CC[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 1028470928 PFJMRBIICJBPPB-NSHDSACASA-N 324.406 -0.017 30 20 DBED C#CCCN1CC[C@H](CNC(=O)[C@H]2CCN(C)S2(=O)=O)C1 1028862114 LZURAAMNOPIFHN-CHWSQXEVSA-N 313.423 -0.518 30 20 DBED C#CCCN1CCCC[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 1034531194 JGCQFHVVJDSYLX-OLZOCXBDSA-N 313.423 -0.328 30 20 DBED N#Cc1ccc(CN2CC[C@@H]2CNC(=O)[C@H]2CNC(=O)N2)cc1 1038655204 VEJWLOXXGOQQMQ-ZIAGYGMSSA-N 313.361 -0.070 30 20 DBED C#CCCCC(=O)N1CC[C@](O)(CNC(=O)Cn2nccn2)C1 1039824953 FQCRSBIXWYZKFX-HNNXBMFYSA-N 319.365 -0.839 30 20 DBED C=CCO[C@H](C)C(=O)NC[C@@]1(O)CCN(C(=O)COC)C1 1040161165 KJVXTOLBLSWZHG-RISCZKNCSA-N 300.355 -0.697 30 20 DBED C=C(C)CCC(=O)N1CC[C@@](O)(CNC(=O)c2nnn(C)n2)C1 1040593043 DEGYZVJXMXMING-CQSZACIVSA-N 322.369 -0.740 30 20 DBED N#Cc1cnccc1N1C[C@@H](O)[C@H](NC(=O)c2n[nH]cc2F)C1 1041328315 XWBPCMGUDQXSCR-ZYHUDNBSSA-N 316.296 -0.205 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)C#CC(C)(C)C)C1 1042040184 QBHPLTOWZBKOQS-UHFFFAOYSA-N 308.378 -0.072 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)c2conc2C)C1 1043039277 BIYCGBAOLYJBDS-LLVKDONJSA-N 321.333 -0.676 30 20 DBED C=C(C)CCC(=O)NCC1(O)CN(C(=O)CN(C)C(C)=O)C1 1043310451 FASNQWKRCNUKCU-UHFFFAOYSA-N 311.382 -0.490 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)c2c(C)ncnc2O)C1 1045093993 LNDSBDCULSUFMU-UHFFFAOYSA-N 320.349 -0.240 30 20 DBED C=C[C@](C)(CC)C(=O)N1CC(O)(CNC(=O)Cn2cncn2)C1 1046871191 OUDSZJQTGCXTFI-CQSZACIVSA-N 321.381 -0.430 30 20 DBED CN1CCOC[C@H]1C(=O)NC[C@H]1CN(CC#N)CCC1(F)F 1046930999 OFLXSIIBFSFGMA-RYUDHWBXSA-N 316.352 -0.086 30 20 DBED C=CCN1C[C@H]2C[C@H](NC(=O)Cn3c(O)nnc3O)C[C@H]1C2 1047190893 LMHVBFGWMVDNBO-GARJFASQSA-N 307.354 -0.156 30 20 DBED CN(C(=O)c1cncc2nc[nH]c12)[C@H]1CN(CC#N)C[C@@H]1O 1047388725 JTVIIPVRYFIXLL-RYUDHWBXSA-N 300.322 -0.401 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)Cn2nnnc2C(C)C)C1 1047553873 BOUZAVLFORVDNY-RYUDHWBXSA-N 308.386 -0.514 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CN(C[C@@H](O)Cn3cccn3)C[C@@H]2C1 1048725977 YAOKWDCMQVNCIS-APIJFGDWSA-N 317.393 -0.206 30 20 DBED C[C@@H]1[C@@H](NC(=O)c2cnnn2C)CCN1c1ccnc(C#N)n1 1050212261 YOZXDUSHTDOYQJ-ZJUUUORDSA-N 312.337 -0.126 30 20 DBED C#CCCN1CCC2(CC1)CN(C(=O)[C@@H]1CN(C)C(=O)N1)C2 1050616165 NKKRIVHUUPGMNX-ZDUSSCGKSA-N 304.394 -0.042 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)c1ccoc1CC(N)=O 1051083359 FYMDZNZBHXGZBB-NSHDSACASA-N 305.334 -0.629 30 20 DBED Cc1nc(CC(=O)N2CC[C@H](N3CCN(CC#N)CC3)C2)n[nH]1 1052024476 DMLKQRCNNUVGAT-ZDUSSCGKSA-N 317.397 -0.602 30 20 DBED N#CCN1CCN([C@@H]2CCN(C(=O)Cn3nccn3)C2)CC1 1052033353 QEWQJOXOGRBEPM-CYBMUJFWSA-N 303.370 -0.980 30 20 DBED C#CCN1CCC[C@H](NC(=O)[C@H]2CCN(C)S2(=O)=O)CC1 1052785466 HVWBUVKKBKVMJN-QWHCGFSZSA-N 313.423 -0.376 30 20 DBED CC(=O)N1CCO[C@H](C(=O)N[C@H]2CCCN(CC#N)CC2)C1 1052906158 SEBQIPGBPDNVHX-KBPBESRZSA-N 308.382 -0.272 30 20 DBED C#CCCN1CC2(CC[C@@H](CNC(=O)[C@@H]3CN(C)CCO3)O2)C1 1053585909 KQEZYQXDVAJCAW-GJZGRUSLSA-N 321.421 -0.310 30 20 DBED C#CCN1CC2(CC[C@@H](CNC(=O)[C@@H]3CC(=O)N(C)C3)O2)C1 1053606503 LXDFEELLQQYISS-OLZOCXBDSA-N 305.378 -0.553 30 20 DBED N#CCN1CC2(CC[C@@H](CNC(=O)c3cc(C(N)=O)co3)O2)C1 1053662869 YDTMSSNARUYYFD-NSHDSACASA-N 318.333 -0.135 30 20 DBED C=CCOCC(=O)N1C[C@@H]2CN(C(=O)Cn3nccn3)C[C@@H]2C1 1055249828 CIUFCPRBXHYHCE-BETUJISGSA-N 319.365 -0.603 30 20 DBED C#CCCCC(=O)NCCN1CCC(NC(=O)CC(N)=O)CC1 1055565776 CQYLYQLELXCFHT-UHFFFAOYSA-N 322.409 -0.638 30 20 DBED CN1CC[C@@H](C(=O)N2CCN(c3cnc(C#N)cn3)CC2)C1=O 1055973689 ZXSHHKHOLVTQHN-GFCCVEGCSA-N 314.349 -0.525 30 20 DBED Cn1ncc(C(=O)N[C@H]2[C@@H]3CN(c4ccnc(C#N)n4)C[C@@H]32)c1N 1056176176 JWWIJVXFCAYLOH-IWIIMEHWSA-N 324.348 -0.471 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)c1cnnc(O)c1 1057172368 AALBWBHIJWHOIY-UHFFFAOYSA-N 308.338 -0.301 30 20 DBED N#Cc1c[nH]c(C(=O)N(CCO)CCNC(=O)c2cc[nH]n2)c1 1057291845 RMSKUCXIEFHSDL-UHFFFAOYSA-N 316.321 -0.526 30 20 DBED CC(C)[C@@H](C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N)N(C)C 1057882384 NIVZHYCIDSNNDU-STQMWFEESA-N 312.414 -0.331 30 20 DBED N#Cc1cncc(N2CCC[C@@H](NC(=O)Cn3cnnn3)C2)n1 1058118341 DQEQBSYHGJDXGX-SNVBAGLBSA-N 313.325 -0.880 30 20 DBED N#Cc1ccc(N2CCC[C@H](NC(=O)Cn3nccn3)C2)nn1 1058199806 GFULPHFPTGVJSL-LBPRGKRZSA-N 312.337 -0.275 30 20 DBED CC(=O)N1CCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@H](C)C#N 1058654593 BJYPREZGSVDWCM-YPMHNXCESA-N 324.381 -0.906 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)c1ncccc1F 1058655337 WMBCSNYXBRMACS-JTQLQIEISA-N 308.313 -0.069 30 20 DBED N#Cc1ccc(N[C@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)C2)nc1 1059049331 KSUNKIYNRUCZSC-QWRGUYRKSA-N 300.322 -0.353 30 20 DBED CN1CCOC[C@@H]1C(=O)N[C@H]1C[C@H](N=c2cc[nH]cc2C#N)C1 1059187048 SQDYHNOZTCHHAD-UMVBOHGHSA-N 315.377 -0.235 30 20 DBED CC(C)C#CC(=O)N1CCOC[C@H]1CNC(=O)c1cnn(C)n1 1061706439 KBTIMZYGSAMPAW-GFCCVEGCSA-N 319.365 -0.568 30 20 DBED CN(CC1CCN(C(=O)CC(N)=O)CC1)c1cncc(C#N)n1 1062211888 MVGRTPAQCYUTIF-UHFFFAOYSA-N 316.365 -0.102 30 20 DBED C#CCNC(=O)CC(=O)NCC1(NC(=O)[C@H]2C[C@@H]2C)CCC1 1062829302 HQAFUDUDTAPKKN-RYUDHWBXSA-N 305.378 -0.063 30 20 DBED CN(C(=O)Cn1cnnn1)[C@@H]1CCN(c2ccnc(C#N)n2)C1 1062884173 RHZUWVSNPQRJDB-SNVBAGLBSA-N 313.325 -0.928 30 20 DBED CNC(=O)NCC(=O)NCC1(NC(=O)C#CC2CC2)CCC1 1063332474 WFZLCEQYBPUSIX-UHFFFAOYSA-N 306.366 -0.516 30 20 DBED N#Cc1nc(=NC[C@H]2CCC[C@H]2NC(=O)c2nc[nH]n2)cc[nH]1 1064105609 HQDWOWZSHDJDMN-NXEZZACHSA-N 312.337 -0.101 30 20 DBED C=CCOCC(=O)N1CCO[C@H](CNC(=O)c2ncccn2)C1 1064972299 UBOIAMPMLHUMSJ-GFCCVEGCSA-N 320.349 -0.364 30 20 DBED Cn1cnc(C(=O)N[C@@]2(C)CCN(c3nccnc3C#N)C2)n1 1065249617 XOPKDHLONKWCEE-AWEZNQCLSA-N 312.337 -0.124 30 20 DBED N#Cc1ccc(NCC[C@H]2CCN(C(=O)CC(N)=O)C2)nn1 1066290236 OYCOZQPGVPFKNI-JTQLQIEISA-N 302.338 -0.126 30 20 DBED N#CCSCC(=O)N1CCC[C@@H](NC(=O)Cn2cncn2)C1 1070454565 GWPOTZFJVBXFBC-LLVKDONJSA-N 322.394 -0.358 30 20 DBED Cn1cncc1[C@@H]1CN(C(=O)[C@H]2COCCO2)C[C@H]1NCC#N 1070625126 YGZRSPMYJAPLEM-YRGRVCCFSA-N 319.365 -0.757 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CCCN(C(=O)[C@H]2CCCC(=O)N2)C1 1070882682 AGQVLJAHEZCWGP-QJPTWQEYSA-N 306.366 -0.078 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)c2cc[nH]n2)C1 1071932301 HHVQLAXTHFYMPS-PWSUYJOCSA-N 317.349 -0.874 30 20 DBED C=CCC1(C(=O)N2C[C@H](C)[C@@H](NC(=O)C(N)=O)C2)CCOCC1 1072512108 DKRNPQDSUFIMDZ-RYUDHWBXSA-N 323.393 -0.192 30 20 DBED N#CCN1CCC2(C1)CN(C(=O)c1nccnc1C(N)=O)C2 1073414890 MTCOAIYGZILZAD-UHFFFAOYSA-N 300.322 -0.753 30 20 DBED C=CCO[C@H](C)C(=O)N1CC[C@H](NC(=O)C(N)=O)C(C)(C)C1 1073479237 JNUVPXFBHCHNJO-MNOVXSKESA-N 311.382 -0.194 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](NC(=O)C(F)F)[C@@H](C)C1 1073609700 NITMHRIZHFNLRE-UWVGGRQHSA-N 315.320 -0.256 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)c3ccc(=O)n(C)c3)C[C@H]21 1074284727 RICASLXFCCGHDT-HUUCEWRRSA-N 315.373 -0.066 30 20 DBED C[C@H]1C[C@H](NC(=O)CCNC(N)=O)CCN1C(=O)C#CC1CC1 1074985514 AQUUQBGEPVRXQT-WCQYABFASA-N 320.393 -0.046 30 20 DBED C#Cc1ccc(C(=O)N[C@@H](C)CCNC(=O)CNC(C)=O)cn1 1075419585 PAXAVNQRMNQXAY-NSHDSACASA-N 316.361 -0.176 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H](C)CCNC(=O)CN1CCCC1=O 1075566497 ZUCLPXCAFYEWLW-QWHCGFSZSA-N 323.393 -0.342 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)CC(=O)NC 1076255443 GMZKQMZSTFVJMC-TUAOUCFPSA-N 311.382 -0.275 30 20 DBED N#CCN1C[C@@H]2CCN(C(=O)c3cn([C@@H]4CCOC4)nn3)[C@@H]2C1 1076440950 JGQVRZCPWNXMGQ-OUCADQQQSA-N 316.365 -0.091 30 20 DBED C#CCO[C@H](C)C(=O)NCC[C@H](C)NC(=O)c1cn(C)nn1 1076507280 AULSFKQHVFFWHH-WDEREUQCSA-N 307.354 -0.522 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)c2cnc(C)nc2OC)C1 1077101679 URMGKPJGXOWUKM-CHWSQXEVSA-N 304.350 -0.408 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H](C)CCNC(=O)c1cnn(C)n1 1077384228 PZWKRAWUXRWIMR-IINYFYTJSA-N 309.370 -0.233 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2csc(-c3ncc[nH]3)n2)C1 1077413713 HLVMQLJJKAQTMY-MWLCHTKSSA-N 317.374 -0.059 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2COCCN2C2CCCC2)C1 1077561062 UBCZVHBSTMLGHC-QLFBSQMISA-N 322.409 -0.685 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2cc(-n3ccnc3)ccn2)C1 1077940118 FYGVCMZDWQIUDW-ZIAGYGMSSA-N 312.333 -0.434 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CO)(NC(=O)[C@@]23COC[C@@H]2C3)CC1 1080884514 DCHWUEMQRCKTGR-WQGACYEGSA-N 321.377 -0.348 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)Cn2cccn2)C[C@H]1O 1081344066 LRNUCHWWMHOCGT-QWHCGFSZSA-N 322.365 -0.979 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2cccnc2)C[C@@H]1O 1081344189 NCHVXMGRXTZYDC-KGLIPLIRSA-N 319.361 -0.167 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(CC(N)=O)C[C@H]1OC 1082227313 CAQZZSPGWILGGW-SFTQSGBHSA-N 311.382 -0.732 30 20 DBED C[C@@H]1CN(C(=O)[C@@H]2Cc3cncn3C(=O)N2)C[C@H]1NCC#N 1082658228 SKJZKZCGZZVGPC-ADEWGFFLSA-N 302.338 -0.674 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)Cc1nnc(C)o1 1083072170 VERBTASFYNXZRQ-QWHCGFSZSA-N 304.350 -0.145 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2coc(C3CCOCC3)n2)C1 1083927664 VVLAXEAEARZDNY-YPMHNXCESA-N 320.349 -0.133 30 20 DBED CC#CCN1CC[C@H]1CN(C)C(=O)c1cnc(O)n(C)c1=O 1085759691 NMTXNTWWAASUJZ-NSHDSACASA-N 304.350 -0.345 30 20 DBED N#CCN[C@@H]1CCCCCN(C(=O)Cn2ccc(O)nc2=O)C1 1088343629 QZMDWDUACUPXJW-GFCCVEGCSA-N 319.365 -0.167 30 20 DBED Cc1nn(CC(=O)N2CCCCC[C@H](NCC#N)C2)c(=O)n1C 1088419928 CIVRNOMEIJSMTP-ZDUSSCGKSA-N 320.397 -0.225 30 20 DBED COCc1cncc(C(=O)N[C@@H]2CCN(CC#N)C[C@H]2O)c1 1090329762 MIKVYZCAVSLWGW-ZIAGYGMSSA-N 304.350 -0.083 30 20 DBED C#CCN1CC[C@H](NC(=O)Cc2cnccc2OC)[C@@H](O)C1 1090358787 PHTJJJYXPFGFDW-KBPBESRZSA-N 303.362 -0.183 30 20 DBED CC[C@H](C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1O)N(C)C 1090455445 VWNNOVMAOQYFBX-IJLUTSLNSA-N 318.381 -0.646 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@@H]1O 1091153261 YABFMILMLWWMOQ-BNOWGMLFSA-N 314.345 -0.343 30 20 DBED CC(C)OCC(=O)N[C@@H]1CCN(c2ccnc(C#N)n2)C[C@@H]1O 1092141845 ADMIMSXUDRRPPS-NEPJUHHUSA-N 319.365 -0.171 30 20 DBED CC(=O)NCC(=O)NC1[C@@H]2CN(c3ccnc(C#N)n3)C[C@@H]12 1093215318 LKSGKHHJDQJNBI-NXEZZACHSA-N 300.322 -0.965 30 20 DBED Cc1cc(C#N)nc(NCCNC(=O)CNC(=O)C2CC2)n1 1093497341 FFLJEJKPLDRAED-UHFFFAOYSA-N 302.338 -0.289 30 20 DBED C#CCCN1CC(OC2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)C1 1093574853 DRQXSCVAXYEQNO-CABCVRRESA-N 319.405 -0.177 30 20 DBED N#Cc1c[nH]ccc1=NCCNC(=O)c1cccnc1C(N)=O 1093664925 QLONOJOMWODYKD-UHFFFAOYSA-N 310.317 -0.289 30 20 DBED CCN(CCCNC(=O)CNC(N)=O)c1cncc(C#N)n1 1095834205 MTFOVUHRFCGUKK-UHFFFAOYSA-N 305.342 -0.651 30 20 DBED C[C@H](NC(N)=O)C(=O)N[C@H]1CCN(c2cnc(C#N)cn2)C1 1096356455 VLDCJGLYBVPCBG-IUCAKERBSA-N 303.326 -0.900 30 20 DBED N#Cc1nccnc1N[C@H]1C[C@H](NC(=O)C(=O)NCC2CC2)C1 1097056078 CLHUJZOZOYYFAY-XYPYZODXSA-N 314.349 -0.066 30 20 DBED C=C(C)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cn1ncn(C)c1=O 1097379361 VVXNWVNICMIPAU-UPJWGTAASA-N 305.382 -0.121 30 20 DBED N#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H]1CCc2nnnn2CC1 1097887637 APGHVHUBJZGNKV-LPWJVIDDSA-N 315.381 -0.129 30 20 DBED C[C@H](CNC(=O)[C@H]1CCN(C)C1=O)Nc1cncc(C#N)n1 1098193743 JJBABVGSWNNFNF-MWLCHTKSSA-N 302.338 -0.257 30 20 DBED Cn1ccc(C(=O)N2CCC(N(CC#N)CCO)CC2)cc1=O 1098408449 VTMOHELGZHLVDY-UHFFFAOYSA-N 318.377 -0.192 30 20 DBED C#CCN(CCO)C1CCN(C(=O)c2cn(CC=C)nn2)CC1 1098494210 ZRWBTLBPCMSBTQ-UHFFFAOYSA-N 317.393 -0.004 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)CC2CCCC2)[C@@H](O)C1 1099631565 XFCLRJYGOCHEPY-CABCVRRESA-N 321.421 -0.133 30 20 DBED CC(C)(C)C#CC(=O)N[C@@H]1CCN(CC(=O)NCC#N)C[C@H]1O 1099827644 YFKOQSBAUFMTGT-CHWSQXEVSA-N 320.393 -0.773 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)C2(CCC)CC2)[C@H](O)C1 1099992271 WQEZGUMKQBYRJH-ZIAGYGMSSA-N 321.421 -0.133 30 20 DBED CN(CCNC(=O)[C@H]1COCCN1C)c1cncc(C#N)n1 1100027970 ACRVEOSFGTUHHH-GFCCVEGCSA-N 304.354 -0.769 30 20 DBED COCC#CCNC1CC(CNC(=O)C2CS(=O)(=O)C2)C1 1100357060 GSNLQHGIVXZZEQ-UHFFFAOYSA-N 314.407 -0.835 30 20 DBED COCC(=O)NCCC(=O)NCCN(C)c1nccnc1C#N 1100376174 VCOUZUAKNNCTCR-UHFFFAOYSA-N 320.353 -0.947 30 20 DBED C=CCNC1CC(CNC(=O)C(C)(C)NS(C)(=O)=O)C1 1100742274 OFYKWJSLEZUETQ-UHFFFAOYSA-N 303.428 -0.015 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@H]2CN(CC(=O)N(C)C)C[C@@]2(C)C1 1101233585 ODXXKMAXBUXTHH-VBQJREDUSA-N 321.421 -0.107 30 20 DBED CN(CCNc1ccc(C#N)cn1)C(=O)CN1CCNC(=O)C1 1101892647 CBIMQUJFZQEGKK-UHFFFAOYSA-N 316.365 -0.745 30 20 DBED N#Cc1nc(=N[C@H]2CC[C@H](NC(=O)CNC(N)=O)CC2)cc[nH]1 1103634733 GSXDYYOAPGBVNA-MGCOHNPYSA-N 317.353 -0.722 30 20 DBED COC(=O)NCC(=O)NC[C@H](C)CN=c1cc[nH]c(C#N)n1 1103856901 NQUQWAWUTHFELU-SECBINFHSA-N 306.326 -0.710 30 20 DBED C[C@@H](CNC(=O)C1(C(N)=O)CC1)CNc1cncc(C#N)n1 1104192000 PUPBJJHQNIVKSM-SECBINFHSA-N 302.338 -0.222 30 20 DBED C[C@](O)(CC(=O)N1CC(n2cc(CNCC#N)nn2)C1)C1CC1 1105216152 OVMYQOCTXVBTPE-HNNXBMFYSA-N 318.381 -0.174 30 20 DBED CC#CCNCc1cn(C2CN(C(=O)c3nc[nH]n3)C2)nn1 1105345587 IIYGNTAGLIIFMS-UHFFFAOYSA-N 300.326 -0.794 30 20 DBED CCCSCC(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1 1105725735 RYKYHSVHPCSSGA-SNVBAGLBSA-N 309.395 -0.198 30 20 DBED Cc1cc(C(=O)NC[C@@H](O)CN=c2cc[nH]cc2C#N)n(C)n1 1105732956 DDSIHTUYESQAKY-LBPRGKRZSA-N 314.349 -0.380 30 20 DBED Cc1cc(CC(=O)NC[C@H](O)CN=c2cc[nH]cc2C#N)no1 1105765517 AQJYSHZTOHHPHB-CYBMUJFWSA-N 315.333 -0.197 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)c2ccnn2C)C[C@H]1C 1105911069 HJJTVADFRJGSMH-CHWSQXEVSA-N 317.393 -0.533 30 20 DBED Cc1cc(=NC[C@@H](O)CNC(=O)CCCN(C)C)c(C#N)c[nH]1 1106075368 CIQWSLKIZXGSGX-CQSZACIVSA-N 319.409 -0.086 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)c1cc[n+]([O-])cc1 1106672647 BNVCISFBWFSJIQ-UHFFFAOYSA-N 312.333 -0.022 30 20 DBED CCN(CCN=c1cc[nH]cc1C#N)C(=O)CS(C)(=O)=O 1106686454 PBRVGGPUFGTZFW-UHFFFAOYSA-N 310.379 -0.320 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)CC(=O)N(C)C 1106974606 KITGPVFTTNNMPH-UHFFFAOYSA-N 304.354 -0.491 30 20 DBED C=CCN1CC(n2cc(CNC(=O)Cc3cc[nH]n3)nn2)C1 1107150212 DNAWUUKWJSETOF-UHFFFAOYSA-N 301.354 -0.097 30 20 DBED C=C[C@@](C)(CC)C(=O)NCc1cn(C2CN(CC(N)=O)C2)nn1 1107207424 YATLZYXXBCIFFB-HNNXBMFYSA-N 320.397 -0.161 30 20 DBED C[C@@H](CC(=O)NC/C=C\CNc1ccc(C#N)nn1)NC(N)=O 1107350379 FMIRIRVLKKHFCR-ZMWSMAPVSA-N 317.353 -0.121 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@H](C)CNc1ccc2nnnn2n1 1107730859 CNWGMYFLDSATRH-RNCFNFMXSA-N 305.342 -0.237 30 20 DBED C[C@@H](CNc1cnc(C#N)cn1)NC(=O)[C@@H]1CCCN1C(N)=O 1108426840 JKDXLPDDRHGHJR-ONGXEEELSA-N 317.353 -0.192 30 20 DBED C#CCCN1CC(N2C[C@H](NC(=O)COCCC)CC2=O)C1 1108521498 DLDOWJNGGSJHDF-CYBMUJFWSA-N 307.394 -0.162 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)c1ccc(C(N)=O)o1 1108788704 LKEPPKHBNBYKSZ-QMMMGPOBSA-N 314.305 -0.308 30 20 DBED CCNC(=O)CC(=O)N[C@@H](C)CN(C)c1ccnc(C#N)n1 1108945254 OKJMMGYNYXIGRA-JTQLQIEISA-N 304.354 -0.185 30 20 DBED CN(CCCN=c1cc[nH]c(C#N)n1)C(=O)c1cncnc1O 1109546326 PRWCGZOEBUAFSF-UHFFFAOYSA-N 313.321 -0.160 30 20 DBED CS(=O)(=O)CC(=O)N[C@@H]1[C@H]2C[C@H]1N(c1nccnc1C#N)C2 1109693617 YNSDHZRYVNQQFO-MKPLZMMCSA-N 321.362 -0.914 30 20 DBED C[C@@]1(CNC(=O)CC(N)=O)CCCN(c2ccc(C#N)nn2)C1 1110920017 MYDHULKMUXLMQG-HNNXBMFYSA-N 316.365 -0.054 30 20 DBED CO[C@@H](C)C(=O)NC1(CN=c2cc[nH]c(C#N)n2)CCOCC1 1112242770 VQLUPXGEWXYKNF-NSHDSACASA-N 319.365 -0.118 30 20 DBED C=CCNC(=O)NC(=O)CN1CCN(C(=O)C(F)F)CC1 1112594457 YLKBVQQAFZHMDW-UHFFFAOYSA-N 304.297 -0.593 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)CCn2cncn2)CC1 1112615067 BNCPARPGSGXMIM-CYBMUJFWSA-N 320.397 -0.497 30 20 DBED C#CCOCCC(=O)NC[C@H]1CN(c2ncccn2)C[C@@H]1O 1112738915 SVMHUCBYBVDUAS-STQMWFEESA-N 304.350 -0.570 30 20 DBED C[C@H]1OCCC[C@@H]1C(=O)N1CCN(CC(=O)NCC#N)CC1 1112802810 BWXSCNVPJYSSRD-OLZOCXBDSA-N 308.382 -0.415 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CC1 1113120875 TXRIHKBQACFRGA-KCQAQPDRSA-N 320.393 -0.415 30 20 DBED COCC#CCN1CCN(C(=O)CCn2cnccc2=O)CC1 1113474263 FZOJVYNIFOTFIQ-UHFFFAOYSA-N 318.377 -0.573 30 20 DBED C[C@H](CNC(=O)[C@]1(C)CNC(=O)C1)N(C)c1cnc(C#N)cn1 1113783262 DESMMYIQFGPVIJ-BMIGLBTASA-N 316.365 -0.185 30 20 DBED C=CCOCCN1C[C@@H]2C(NC(=O)CN3CCCC3=O)[C@H]2C1 1113834432 VFNDRADXIGXFJE-STQMWFEESA-N 307.394 -0.142 30 20 DBED COC[C@H](OC)C(=O)NC[C@@H](C)N(C)c1ccc(C#N)nn1 1113858359 VAJMUEDUJKLSPE-PWSUYJOCSA-N 307.354 -0.049 30 20 DBED N#CCSCC(=O)N[C@H]1[C@@H]2CN([C@H]3CCC(=O)NC3=O)C[C@@H]21 1113897372 UECARUUYVOUWNA-MPXOCVNLSA-N 322.390 -0.905 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)c3scnc3C)[C@@H]2C1 1113912932 DHUZCDJZGKUJQH-GHMZBOCLSA-N 318.402 -0.139 30 20 DBED C[C@H](CNC(=O)[C@@H]1CC(=O)N(C)C1)N(C)c1nccnc1C#N 1113942955 DOMZCCBTUYWBIM-GHMZBOCLSA-N 316.365 -0.233 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)Cc3cc[nH]n3)[C@H]2C1 1114087981 GIAZAEPAMXYZEI-PBOSXPJTSA-N 315.377 -0.864 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)C3CC(F)(F)C3)[C@@H]2C1 1114113812 GQFZMSNSVDLUFT-GHMZBOCLSA-N 311.332 -0.173 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)C[C@@H]3CCCCO3)[C@@H]2C1 1114117459 PNIVOFYZKNBXMF-BFHYXJOUSA-N 319.405 -0.259 30 20 DBED CNC(=O)NC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)C#CC3CC3)[C@H]2C1 1114257843 GXKKEMNQIOADFR-WUWHUORYSA-N 318.377 -0.710 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H]1[C@@H]2CN(CCN3CCCC3=O)C[C@@H]21 1114262736 ITJSBTFHDWIFAZ-TTZDDIAXSA-N 319.405 -0.307 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CN(c2ncccn2)CC1(C)C 1114446399 NMNUVFZRUGEPHC-LBPRGKRZSA-N 315.377 -0.053 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)COc3cnn(C)c3)[C@@H]2C1 1114741105 IVWBITCUYHZIJB-ZIAGYGMSSA-N 318.377 -0.505 30 20 DBED C[C@@H]1CC[C@H](C(=O)NC2[C@H]3CN(CC(=O)NCC#N)C[C@H]23)O1 1114856388 JOEFMKXZGXRJHE-NOOOWODRSA-N 306.366 -0.760 30 20 DBED C[C@@H](CN(C)C(=O)[C@@H]1CN(C)CCO1)Nc1ccc(C#N)nn1 1115664106 IKPPGGJBJUCXMH-AAEUAGOBSA-N 318.381 -0.062 30 20 DBED C[C@H]1CC(=O)NCCN1C(=O)C(=O)N1CCC[C@@](C)(C#N)C1 1117866911 QNLGNHXIEFCJRP-NHYWBVRUSA-N 306.366 -0.124 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)C(=O)N(C[C@H]2CCOC2)C2CC2)C1 1118182920 BFQYFCKMBXZFCZ-MLGOLLRUSA-N 321.377 -0.109 30 20 DBED C=CC[C@@H](CC)NC(=O)C(=O)NCCCN(C)S(C)(=O)=O 1118619823 MRLADCCGURXVNB-LLVKDONJSA-N 319.427 -0.145 30 20 DBED C#CCN(C(=O)C(=O)c1cc(S(N)(=O)=O)cn1C)C1CC1 1118705621 VAEJACMTCSUCNV-UHFFFAOYSA-N 309.347 -0.521 30 20 DBED N#Cc1nccnc1N[C@H](CO)CNC(=O)c1ncccc1O 1121339941 PIFWAWQVFAYLJO-VIFPVBQESA-N 314.305 -0.348 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@H](CO)N=c1cc(C)[nH]cc1C#N 1121405690 OVHMDKVMFLHNOF-CJNGLKHVSA-N 318.377 -0.100 30 20 DBED CCn1ccnc1C(=O)NC[C@H](CO)Nc1nccnc1C#N 1121412796 VFZKGLYIGLBSEY-SNVBAGLBSA-N 315.337 -0.233 30 20 DBED N#Cc1cncc(N[C@@H](CO)CNC(=O)c2cccc(O)n2)n1 1121424869 GSNUQLDAZFUXRQ-SNVBAGLBSA-N 314.305 -0.348 30 20 DBED N#CCNC(=O)CNC1CC2(C1)CC(NC(=O)c1cnco1)C2 1121487637 BFRDLPMXSTUNEY-UHFFFAOYSA-N 317.349 -0.055 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)Cc2nc[nH]n2)cn1 1121993677 KAYCEFBFOSQCHP-LLVKDONJSA-N 301.310 -0.797 30 20 DBED COC[C@H](OC)C(=O)NC[C@@H](CO)Nc1ccc(C#N)cn1 1122467433 WWZRCWIWHJHDIX-RYUDHWBXSA-N 308.338 -0.496 30 20 DBED C[C@@H]1CCCN1CC(=O)NC[C@@H](CO)N=c1cc[nH]cc1C#N 1122526495 LADDVPJAQSDULR-OCCSQVGLSA-N 317.393 -0.252 30 20 DBED CCCOCC(=O)N(C)C[C@@H](O)CN=c1cc[nH]c(C#N)n1 1124142236 ZBORRCKMFZZJBC-NSHDSACASA-N 307.354 -0.572 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)C[C@H]1CCOC1 1124179394 GMAJKEGKLHGOMS-VXGBXAGGSA-N 319.365 -0.572 30 20 DBED Cc1cc(NC[C@@H](O)CN(C)C(=O)[C@H](C)C#N)nc(CO)n1 1124191034 KFZPZLBVTXSZEQ-MWLCHTKSSA-N 307.354 -0.332 30 20 DBED CN(C[C@H](O)CNc1cnc(C#N)cn1)C(=O)c1ncn(C)n1 1124296116 VRWSYMXPEXTQPP-SNVBAGLBSA-N 316.325 -0.978 30 20 DBED CC[C@@H](C(=O)N(C)C[C@@H](O)CN=c1cc[nH]c(C#N)n1)N(C)C 1124454776 LWFOHEYSIYHNIS-RYUDHWBXSA-N 320.397 -0.658 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C[C@@H](O)CNc1ncc(F)cn1 1124521056 YRPPKANMUMXPPT-PWSUYJOCSA-N 310.329 -0.115 30 20 DBED CN(C[C@@H](O)CNc1ncccc1C#N)C(=O)c1nnn(C)n1 1124649235 NJOQYOBBQRSAMR-JTQLQIEISA-N 316.325 -0.978 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)c1cc(C)ncn1 1125762778 WJPQXQHVUXAHHK-UHFFFAOYSA-N 318.381 -0.133 30 20 DBED CC(=O)NCC(=O)N(C)C1CC(N=c2cc[nH]c(C#N)n2)C1 1126837782 YBZSSMABEVKEPE-UHFFFAOYSA-N 302.338 -0.692 30 20 DBED CCS(=O)(=O)NCC(=O)NCCNCc1cccc(C#N)c1 1128595055 QFEVLHPANGHZAP-UHFFFAOYSA-N 324.406 -0.297 30 20 DBED CC#CCN[C@@H]1CN(C(=O)Cn2ccnc2)C[C@@H]1n1ccnn1 1130151210 JGHAJSCLHWLQBQ-KGLIPLIRSA-N 313.365 -0.460 30 20 DBED N#CCN1CC[C@H](c2n[nH]cc2CNC(=O)Cc2nc[nH]n2)C1 1130438367 KBZQMXMLQSZSIK-JTQLQIEISA-N 314.353 -0.300 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)Cn1nc(C)cc1C 1131064742 UIAUUJGPZQTUEC-ZDUSSCGKSA-N 307.398 -0.104 30 20 DBED C[C@@H](CC(=O)N1C[C@@H]2C[C@@H]3CN(CC#N)C[C@]2(C1)O3)NC(N)=O 1131229917 CFGKARAZILWPPG-UUIJZJDISA-N 321.381 -0.741 30 20 DBED C[C@@H]1CC[C@@H](NC(=O)c2cnns2)CN1CC(=O)NCC#N 1131838632 KLXYKGLDCBJSDY-NXEZZACHSA-N 322.394 -0.239 30 20 DBED C[C@H]1CC[C@@H](NC(=O)c2cnnn2C)CN1CC(=O)NCC#N 1132005768 CAMVRAASXFAYJS-WDEREUQCSA-N 319.369 -0.962 30 20 DBED C#CCNC[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)CC[C@H]1C 1133305838 GMJVREBPYSMFEL-VXGBXAGGSA-N 306.366 -0.754 30 20 DBED CC#CCN[C@H](C)C[C@H](C)NC(=O)CS(=O)(=O)CCOC 1134765086 VGCMBCXWJZKBQH-OLZOCXBDSA-N 318.439 -0.056 30 20 DBED CNC(=O)C1(C(=O)N[C@@H](C)C[C@H](C)NCC(=O)NCC#N)CC1 1135676570 YRGRGOCADZTRDE-QWRGUYRKSA-N 323.397 -0.975 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)CCN(C)CC 1146718904 KRFNDYGCSWAQIY-UHFFFAOYSA-N 313.402 -0.954 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1ccnc(OC(C)C)c1 1147526733 PBZSQDRLBCVQFY-UHFFFAOYSA-N 318.377 -0.062 30 20 DBED CN1CC[C@H](C(=O)N2CC3(CCN(CC(=O)NCC#N)C3)C2)C1 1148748799 YBICUXNKABFKCZ-ZDUSSCGKSA-N 319.409 -0.888 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)c1cc(C)nn1C 1152165420 WBTPLHPQUZHYFF-CYBMUJFWSA-N 319.409 -0.082 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)[C@@H]1CCCN1C 1152386659 NTOOEKOZBNADBE-OLZOCXBDSA-N 309.414 -0.453 30 20 DBED C=CCCOCC(=O)NCCNCCCS(=O)(=O)N(C)C 1153091599 VJTLPVKVKLKTLC-UHFFFAOYSA-N 321.443 -0.434 30 20 DBED C=CCNC(=O)CN(CC)[C@H](C)CNC(=O)[C@H]1CCC(=O)NC1 1154119680 NAZGZYWSIOFEMR-OLZOCXBDSA-N 324.425 -0.359 30 20 DBED C=CCCN(CC)[C@H](C)CNC(=O)CNC(=O)Cn1cncn1 1157081158 FXGKULCPXDUCCW-CYBMUJFWSA-N 322.413 -0.203 30 20 DBED C=CCOCCNCCCNC(=O)[C@@H](C)N1C(=O)CCC1=O 1159303245 VYFPOTFSSOILFV-GFCCVEGCSA-N 311.382 -0.178 30 20 DBED C=CCNC(=O)CN1CC=C(CCNC(=O)CC(N)=O)CC1 1159666944 HTYHMLRLMKBALB-UHFFFAOYSA-N 308.382 -0.698 30 20 DBED C=CCNC(=O)CNCC1(CCNC(=O)c2cnn[nH]2)CC1 1165948533 UWPDDHWJJZDZHX-UHFFFAOYSA-N 306.370 -0.403 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NCCC1(CNCC(N)=O)CC1 1167391379 GFFBAQQAISWPQB-ZDUSSCGKSA-N 324.425 -0.181 30 20 DBED C[C@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)c1cccc(O)n1 1178426651 GPFGBCGZECNCEY-QWRGUYRKSA-N 317.349 -0.380 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)c2cnc3[nH]nnc3c2)C1 1183304362 KFNJGBOFOQYIQG-GFCCVEGCSA-N 314.349 -0.193 30 20 DBED C#CCNC(=O)CNC[C@@H]1CCN(C(=O)COCC)C[C@H]1C 1183808264 IEBUFHSHMPTHMX-KGLIPLIRSA-N 309.410 -0.154 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H](n2cc(CNCCO)nn2)C1 1185898117 AJYRXNNXLBCLEH-DGCLKSJQSA-N 306.370 -0.317 30 20 DBED C=CCNC(=O)[C@H](C)N(C)[C@H]1CCN(C(=O)CC(=O)NCC)C1 1189787672 PPDRTAPRZXQTQO-STQMWFEESA-N 324.425 -0.264 30 20 DBED CC#CCN(C)[C@H]1CCN(C(=O)COCc2ncnn2C)C1 1193182060 XWPDSLMCBOGJHR-ZDUSSCGKSA-N 305.382 -0.112 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)CS(=O)(=O)C2CCCC2)C1 1194191218 IGEKEOFEEPBRHJ-VXGBXAGGSA-N 315.395 -0.971 30 20 DBED C=CCCOCC(=O)N1CC[C@@H](N(C)CC(=O)NC(N)=O)C1 1194381473 IFPFKOSGUGQAOV-LLVKDONJSA-N 312.370 -0.693 30 20 DBED CNC(=O)[C@@H](C)NC[C@@H]1CN(C(=O)C#CC(C)C)CCCO1 1200470166 VIFDLDYIFFXOPO-ZIAGYGMSSA-N 309.410 -0.013 30 20 DBED C[C@@H]1CO[C@H](C(=O)N2CCC(NCC(=O)NCC#N)CC2)C1 1201694969 WGXMIVBDORMWLR-AAEUAGOBSA-N 308.382 -0.368 30 20 DBED N#CCNC[C@H]1CN(C(=O)Cn2ccccc2=O)CCCO1 1202030934 ZFGFCELBVSHEIH-ZDUSSCGKSA-N 304.350 -0.421 30 20 DBED COC[C@H](O)CN[C@@H]1CCCN(C(=O)CSCC#N)C1 1207409422 DZRBAQJDWYEJGF-VXGBXAGGSA-N 301.412 -0.169 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCN(C(=O)C[C@@H]2COC(=O)C2)C1 1207814697 XJQPMDGKMFDQBS-NWDGAFQWSA-N 322.365 -0.840 30 20 DBED COCC#CCN1C[C@@H](NC(=O)CCCCNC(N)=O)[C@H](C)C1 1207893631 SLTFKBGKEQOUFO-ZIAGYGMSSA-N 324.425 -0.089 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)c2cnc(O)n2C)[C@H](C)C1 1208294447 GGQWNLFOVWKNFA-GHMZBOCLSA-N 321.381 -0.522 30 20 DBED COCC#CCN[C@H]1CCCN(C(=O)c2c[nH]c(=O)cn2)C1 1209279317 WHJICGYMPAUPIK-LBPRGKRZSA-N 304.350 -0.386 30 20 DBED CC#CCN[C@H]1CCCN(C(=O)[C@H](C)NS(C)(=O)=O)C1 1209828877 RVNNKVVJSOCILI-RYUDHWBXSA-N 301.412 -0.472 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)CCOC)[C@H](OC)C1 1211745587 FJCKLBKYTYQFKO-YNEHKIRRSA-N 313.398 -0.471 30 20 DBED CO[C@@H]1CN(CCn2nc(C)nc2C)C[C@H]1NC(=O)[C@H](C)C#N 1212041241 JOPDIHQRYUHGDH-LERXQTSPSA-N 320.397 -0.130 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@]2(C)CCOC2)C[C@H]1C 1216064442 ARVWQJMKJWSIKB-XJKCOSOUSA-N 307.394 -0.401 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1C 1216707177 TZDGWMYWBQKFKO-FRRDWIJNSA-N 320.397 -0.595 30 20 DBED C=C(Cl)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H](C)NC(N)=O 1217725808 YEGMPAUNDZJGKT-GARJFASQSA-N 316.789 -0.293 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(Cc2nonc2C)C[C@@H]1O 1219526825 CXQSYLFJVFIAJI-MBNYWOFBSA-N 310.354 -0.634 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)CCCC2CC2)C1 1220187730 IYZMIVALJZCUIV-KGLIPLIRSA-N 307.394 -0.523 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)c2cnc(C)nc2C)C1 1220568309 GLFCYRMKCMSBHZ-CABCVRRESA-N 318.377 -0.482 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@H](C)NC(=O)c2ccccc2)C1 1220912623 OCYLIOPNQSCPCG-CFVMTHIKSA-N 315.373 -0.401 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)[C@@H](C)OCC#C)[C@@H]2C1 1221540790 ARHHPFPHLPMJBS-RBSFLKMASA-N 317.389 -0.693 30 20 DBED COCC#CCN1CCC(CNC(=O)C[C@@H]2CCNC2=O)CC1 1223457917 SPYVMRCMCVLHIJ-HNNXBMFYSA-N 321.421 -0.009 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)[C@@H](C)NC(=O)CC)CC1 1227496812 SZAVSOIGQQTEGK-GFCCVEGCSA-N 324.425 -0.216 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)c2c(C)cnn2C)CC1 1228712369 QFUALILAFUSYCW-UHFFFAOYSA-N 317.393 -0.328 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC(NC(=O)CC(=O)N(C)C)CC1 1229517341 SYHWWFHLGPWUNH-GFCCVEGCSA-N 322.409 -0.817 30 20 DBED C=CCNC(=O)CN1CC[C@H]1CN(C)C(=O)c1cnccn1 1230638537 OWOFYFZWRDILNI-LBPRGKRZSA-N 303.366 -0.075 30 20 DBED C=CCN1CC[C@@H](N2CC[C@H]2CN(C)C(=O)CC(=O)NC)C1=O 1233878982 BTTQRDFOIMIESG-QWHCGFSZSA-N 322.409 -0.558 30 20 DBED C#CCOCCC(=O)N(C)C[C@@H]1CCN1[C@@H]1CCN(C)C1=O 1234246591 QUUFHHQXYHLQEH-UONOGXRCSA-N 307.394 -0.210 30 20 DBED C=CCOCC(=O)NCCCN(C)CC(=O)NC(=O)NCC 1235697702 FAMWMPGXBLJMRH-UHFFFAOYSA-N 314.386 -0.527 30 20 DBED CC(C)[C@@](C)(C#N)NC(=O)Cn1cnc2c(nnn2C)c1=O 1261480344 MWRFYFNDDCXXDS-CYBMUJFWSA-N 303.326 -0.421 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)C(=O)N2CCC[C@@]23CCOC3=O)C1 1261487258 QRQYNCDHWLYOQN-CABCVRRESA-N 321.333 -0.828 30 20 DBED C#CCN(CC#N)C(=O)CCc1nc2c(O)nc(=O)n(C)c2[nH]1 1321331433 DWVDAOWOMQWDBS-UHFFFAOYSA-N 314.305 -0.720 30 20 DBED N#CCNC(=O)CNC(=O)C[C@@H](NC(N)=O)c1ccccc1 1322531927 DEMQSHPFJXKCBP-LLVKDONJSA-N 303.322 -0.458 30 20 DBED C#CCSCCNC(=O)C(=O)NCc1cnn(CCOC)c1 1323113772 LVNXUCWGYSTMIH-UHFFFAOYSA-N 324.406 -0.372 30 20 DBED C#CCOCCNC(=O)C(=O)N[C@@H]1CCc2nc(C)ncc2C1 1323244437 RKOXACWOLSYYRK-CYBMUJFWSA-N 316.361 -0.475 30 20 DBED CN(C)CCNC(=O)C1CCN(CC(=O)NCCC#N)CC1 1323538726 AHBKCKNSIIVAGL-UHFFFAOYSA-N 309.414 -0.594 30 20 DBED CC#CCS(=O)(=O)NC(=O)C[C@@H]1CCCS(=O)(=O)C1 1324266087 MSWWNJGEUQOUTI-JTQLQIEISA-N 307.393 -0.329 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)CCO1 1328386038 VNYMGEBMTPCMFG-UONOGXRCSA-N 320.393 -0.176 30 20 DBED CCCN(CC(N)=O)C(=O)CCN/C(O)=C1/N=CC=CC1=O 1330460056 UCTWUOJWYZOPOZ-YPKPFQOOSA-N 308.338 -0.373 30 20 DBED C[C@@H](C#N)OCCN1C(=O)N[C@H](CC(=O)N2CCOCC2)C1=O 1333673737 ZHIOZEQBUDMDPF-WDEREUQCSA-N 324.337 -0.916 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C)c2ncon2)C1=O 1336744907 KKZXKHCZBAYXKU-SSDOTTSWSA-N 307.266 -0.776 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N[C@@H](C)C(=O)NCCC 1340422989 TWMJRMZSCHOHAC-JTQLQIEISA-N 305.400 -0.199 30 20 DBED C#CCN(C)c1nnc(-c2cn(C)c(=O)n(C)c2=O)n1CC 1342937351 AVNYJJUWSCKMBD-UHFFFAOYSA-N 302.338 -0.568 30 20 DBED C#C[C@@H](CCC)NC(=O)C(=O)Nc1ccn(CC(=O)N(C)C)n1 1343601242 IDFJUNDLDRXPMO-NSHDSACASA-N 319.365 -0.172 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N1CCC[C@@H]1C(=O)NC1CC1 1347038778 KIPSWDKOYHPRTR-CMPLNLGQSA-N 309.366 -0.427 30 20 DBED C#CCOCCn1nnnc1N1CC[C@H](N2CCOC2=O)C1 1355799906 GHFACAFHADFIHZ-NSHDSACASA-N 306.326 -0.646 30 20 DBED N#C[C@H]1CN(C(=O)c2ccsc2S(N)(=O)=O)CCO1 1361913645 FHESVIPUJGMYNN-ZETCQYMHSA-N 301.349 -0.240 30 20 DBED N#Cc1cn(CC(=O)NC[C@H]2CCCC[C@@H]2O)c(=O)nc1O 1362838873 REYNICJHPDFGFX-KOLCDFICSA-N 306.322 -0.512 30 20 DBED C[C@H]1C[C@H](NC(=O)CCn2cc(C#N)c(O)nc2=O)C(=O)O1 1363374533 RCVMBMSKTRNXFF-CBAPKCEASA-N 306.278 -0.969 30 20 DBED Cn1ccnc1CN1CC(O)(CNC(=O)c2cc(C#N)c[nH]2)C1 1368289090 IXZJLYMTONXKSF-UHFFFAOYSA-N 314.349 -0.403 30 20 DBED COCCN(CCNC(=O)[C@H](C)C#N)C(=O)Cc1nonc1C 1371151574 UCXRZQSOEHZTJW-SNVBAGLBSA-N 323.353 -0.329 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1ccc2c(c1)CCO2 1376675909 NEVQDHANFRUGAL-ZWNOBZJWSA-N 317.345 -0.012 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CN(C)C(=O)CCc1cnccn1 1383075972 JCKXEVPIUXMMSI-DGCLKSJQSA-N 319.365 -0.496 30 20 DBED CCN(C(=O)[C@H](C)C#N)[C@H](C)CNC(=O)CN1CCOCC1=O 1384616436 WJKSIMZCPLXVRB-VXGBXAGGSA-N 324.381 -0.642 30 20 DBED CCN1CCO[C@@H](C(=O)N(CCNC(=O)[C@H](C)C#N)C2CC2)C1 1388679527 YJFVPAXODKVKJJ-TZMCWYRMSA-N 322.409 -0.026 30 20 DBED C[C@@H](C#N)C(=O)N(C)C1CCN([C@@H](C)C(=O)NC(N)=O)CC1 1389326947 DEEBJZBXZXGWDL-UWVGGRQHSA-N 309.370 -0.348 30 20 DBED COc1cc(CN2C[C@@H](C(N)=O)[C@H](C(N)=O)C2)ccc1C#N 1414175476 ZKKYKNPIDRWGSZ-VXGBXAGGSA-N 302.334 -0.415 30 20 DBED C[C@@H]1CN(C(=O)CN2CC(CNC(=O)[C@H](C)C#N)C2)CCO1 1419011925 XQDGAVFNSYNIAX-VXGBXAGGSA-N 308.382 -0.559 30 20 DBED COC(=O)NCC(=O)NC[C@@H](O)CNCc1cccc(C#N)c1 1422296405 WFZXGQQXXHKXMI-ZDUSSCGKSA-N 320.349 -0.519 30 20 DBED COC(=O)[C@H]1CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)C1 1442393794 LIMULTVEJUKOBT-VIFPVBQESA-N 320.305 -0.768 30 20 DBED CCCN1C[C@H](C(=O)N(C)CCNC(=O)[C@@H](C)C#N)CC1=O 1449187731 KKKCBMSGJVSOQM-NWDGAFQWSA-N 308.382 -0.021 30 20 DBED C#CCOCCC(=O)N1CC[C@H](N[C@H]2CCC(=O)NC2=O)C1 1491725402 ZGOPIIPVFVWHDL-RYUDHWBXSA-N 307.350 -0.978 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CCCN(C(=O)Cn2cnnn2)C1 1495340456 QSXGHRSXHJGZEM-MNOVXSKESA-N 305.342 -0.718 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)OC 1514799269 GUKBFLICTOBUKN-VWYCJHECSA-N 317.363 -0.624 30 20 DBED CCOc1cnc(C(=O)NC[C@H](O)CNC(=O)[C@@H](C)C#N)cn1 1533291528 RCHNFAUOWLGNBF-VHSXEESVSA-N 321.337 -0.758 30 20 DBED Cn1c(=O)[nH]c(NC[C@@H](C(=O)O)[C@@H]2CCOC2)c(C#N)c1=O 1571097840 FYPPWDWFTVDWHN-VXNVDRBHSA-N 308.294 -0.906 30 20 DBED CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)c1cnccc1C#N)C(=O)O 1571160003 SLRORNDWBGKCCM-GXFFZTMASA-N 323.330 -0.429 30 20 DBED C=CCOC[C@H](NC(=O)[C@@H]1CCc2nnc(O)n2C1)C(=O)O 1573368412 DJKMOPULGKUSNV-BDAKNGLRSA-N 310.310 -0.682 30 20 DBED C[C@@H](CNC(=O)[C@H](C)C#N)N(C)c1cnc(-c2nn[nH]n2)cn1 1573577220 NQXDSUJKLCMHHW-BDAKNGLRSA-N 315.341 -0.243 30 20 DBED Cn1cc(C#N)c(NC(=O)N[C@@H]2CN(C(=O)O)C[C@H]2CO)n1 1574211181 CZWIBIJTBRHALU-DTWKUNHWSA-N 308.298 -0.616 30 20 DBED CN(CCOCCN)C(=O)CCN/C(O)=C1\N=CC=CC1=O 1578474122 PQUJTDUSARTNJD-BUHFOSPRSA-N 310.354 -0.663 30 20 DBED CS(=O)(=O)N1CC[C@@H](CNC(=O)[C@H](N)CCCCC#N)C1 1579342172 IQMOOCRNXDMGES-NWDGAFQWSA-N 316.427 -0.205 30 20 DBED C#CC1(O)CN([C@@H](C(=O)OC)c2ccc(-c3nn[nH]n3)cc2)C1 1588333569 XHQWVPSRXAFXEN-GFCCVEGCSA-N 313.317 -0.239 30 20 DBED C#C[C@H]1COCCN1S(=O)(=O)N1CCC(C(=O)O)CC1 1588384076 UPZOEYLJAXAYSP-NSHDSACASA-N 302.352 -0.638 30 20 DBED N#Cc1cccc(NC(=O)C(=O)N2CCO[C@@H](C(=O)O)C2)n1 1601122845 UPWNMDCZBULLAP-SECBINFHSA-N 304.262 -0.796 30 20 DBED C#CCN(CC(=O)O)C(=O)N[C@H]1CCN(C2CCN(C)CC2)C1 1602683387 CQHXHDWLUZXWPO-ZDUSSCGKSA-N 322.409 -0.116 30 20 DBED C=CCn1cc(C(=O)N2CCO[C@](COC)(C(=O)O)C2)nn1 1602730899 ISKNXBTYKZIOOI-CYBMUJFWSA-N 310.310 -0.594 30 20 DBED CN(C(=O)[C@@H]1C[C@H]1C(=O)O)C1CN(C(=O)c2cc(C#N)c[nH]2)C1 1605956075 FVGYXQFFPZEQCO-GHMZBOCLSA-N 316.317 -0.110 30 20 DBED COC(=O)[C@@H]1CC[C@@H](C(=O)O)N(S(=O)(=O)CCCC#N)C1 1606395353 WWCHWEOAHNFCAO-ZJUUUORDSA-N 318.351 -0.042 30 20 DBED N#Cc1ncc(N[C@H](CO)C[C@@H]2CCCO2)nc1-c1nn[nH]n1 1606398154 OOAARYNFGPZZDQ-IUCAKERBSA-N 316.325 -0.130 30 20 DBED C=CCn1cc(CNS(=O)(=O)CC(C)(C)C(=O)O)nn1 1609485270 KKBPLUKORUBSHS-UHFFFAOYSA-N 302.356 -0.006 30 20 DBED C=CCNC(=O)CNC[C@H]1CCCN1C(=O)C[C@H]1COC(=O)C1 1698728733 TWKZFYNLXQZGDA-CHWSQXEVSA-N 323.393 -0.178 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2cc(OC)no2)C1 1707350978 YDENMSHASKUJHE-SNVBAGLBSA-N 306.322 -0.763 30 20 DBED CCCN(C)CC(=O)N1CCC[C@@H]1CNCC(=O)NCC#N 1716788476 KFPKTORDBUDLMU-CYBMUJFWSA-N 309.414 -0.451 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(C[C@H]2CCS(=O)(=O)C2)C1 1752384033 YHPSMBHOLIAZRY-OLZOCXBDSA-N 316.423 -0.186 30 20 DBED Cn1cc(CC(=O)NC[C@@H](NCC(=O)NCC#N)C2CC2)cn1 1752448897 HPASRTKVWBMLKV-CYBMUJFWSA-N 318.381 -0.913 30 20 DBED C#CCNC(=O)CN[C@@H](C)CNC(=O)Cn1cc(C2CC2)cn1 1752881685 GAZXITQNCZKQBY-LBPRGKRZSA-N 317.393 -0.396 30 20 DBED C[C@@H](C(=O)NC(N)=O)N(CCNC(=O)C#CC1CC1)C1CC1 1753152566 BFXHMQKMHQIRRK-JTQLQIEISA-N 306.366 -0.436 30 20 DBED C#CCNC(=O)[C@H](C)N1CC(CNC(=O)[C@H](OCC)C2CC2)C1 1753403082 MBTBTAVCUUQTCI-SWLSCSKDSA-N 321.421 -0.013 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C[C@H]1CN2C(=O)C1CC(OC)C1 1753422152 LCPCQMDSGMJSAV-QPPOZKHWSA-N 305.378 -0.554 30 20 DBED C=C[C@@](C)(O)CC(=O)N(C)[C@@H]1CCN(Cc2nnn(C)n2)C1 1753435508 SUJXTBNPVDCIBK-BXUZGUMPSA-N 308.386 -0.430 30 20 DBED C=CCNC(=O)CN[C@H]1CC[C@H](NC(=O)c2cn(C)nn2)CC1 1753580769 QMRRZAPTSHQBIZ-HAQNSBGRSA-N 320.397 -0.252 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@@H](C)N(C)C(=O)c1ncn(C)n1 1753689147 IAMTXVHNXJXLJR-GHMZBOCLSA-N 306.370 -0.997 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@@H](C)N(C)C(=O)c1ccc(C)nn1 1753690217 UNROPCOCVUCOGT-OLZOCXBDSA-N 317.393 -0.027 30 20 DBED C#CCNC(=O)CNC[C@@H](CC(C)C)NC(=O)c1cn(C)cn1 1753733576 RSEKLUFGJCHBBO-CYBMUJFWSA-N 319.409 -0.096 30 20 DBED C#CCNC(=O)CNC[C@H](O)CNC(=O)c1cccc(OC)c1 1753935910 YCLZBTSGLHWVMP-ZDUSSCGKSA-N 319.361 -0.875 30 20 DBED C=C(Cl)CN1CC[C@@H]1CNC(=O)CN1C(=O)CN(C)C1=O 1754502532 KPFKUFDIGHKWKW-SNVBAGLBSA-N 314.773 -0.177 30 20 DBED C[C@@H]1C[C@@H](NCC(=O)NCC#N)CCN1C(=O)Cc1ncc[nH]1 1754600853 INMJBPQHQSUHCL-NEPJUHHUSA-N 318.381 -0.439 30 20 DBED C#CCNC(=O)CN1CC[C@](O)(CNC(=O)C[C@@H](C=C)CC)C1 1754753624 AWZWKJYMMGPJKA-YOEHRIQHSA-N 321.421 -0.109 30 20 DBED C=CCN1CCOC[C@@H]1CNC(=O)CC1CS(=O)(=O)C1 1754969168 SDEHWHNUJBLCAC-LBPRGKRZSA-N 302.396 -0.576 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@H](C)CNC(=O)C(C)(C)C(N)=O 1755302438 BMMZSNBCTRHRRN-MNOVXSKESA-N 310.398 -0.928 30 20 DBED C#CCNC[C@@H]1CC2(CCN(C(=O)CCNC(N)=O)CC2)CO1 1755463526 NUIMGSJHSJQLKK-ZDUSSCGKSA-N 322.409 -0.335 30 20 DBED C#CCNC(=O)CN1CCC[C@H](NC(=O)c2cnn(C)c2)[C@@H]1C 1755711372 FVTBHQVWMYJHLK-JSGCOSHPSA-N 317.393 -0.248 30 20 DBED C#CCN(C)C[C@@H](O)CN(C)C(=O)[C@H](C)CS(C)(=O)=O 1755807466 HKUWLRPVOCCPOK-VXGBXAGGSA-N 304.412 -0.949 30 20 DBED CCS(=O)(=O)CC(=O)N(C)[C@@H](C)CNC(=O)C#CC1CC1 1756025229 HOFAGXFFDAHPBW-NSHDSACASA-N 314.407 -0.202 30 20 DBED C#CCCCC(=O)N1C[C@H]2[C@H](CNC(=O)CNC(=O)OC)[C@H]2C1 1756192810 SFLQMAFSJZONIL-XYYAHUGASA-N 321.377 -0.034 30 20 DBED C#CCOCCC(=O)NC[C@@H](CO)NC(=O)c1ccc(C)n1C 1756521080 JNDFPCOJQAGJEO-ZDUSSCGKSA-N 321.377 -0.420 30 20 DBED C=CCOCC(=O)N1C[C@@H](NC(=O)CNC(=O)C2CC2)C[C@@H]1C 1756582461 HZRGGKYNHMBCIH-AAEUAGOBSA-N 323.393 -0.179 30 20 DBED C=CCOCC(=O)N[C@H]1CCCN(C(=O)Cn2ncnn2)[C@H]1C 1756621697 KMBPCPZQTLVANM-RYUDHWBXSA-N 322.369 -0.629 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@H]2CN(C(=O)c3nc[nH]n3)C[C@H]21 1756958049 FWTRSMISJUGMEJ-GRYCIOLGSA-N 317.349 -0.484 30 20 DBED C=CCCC(=O)N[C@@H]1CN(C(=O)c2ccnc(OC)n2)C[C@H]1O 1756985097 QVDFJAARRIIDRY-VXGBXAGGSA-N 320.349 -0.247 30 20 DBED C=CC(C)(C)CC(=O)N[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2)C[C@@H]1O 1757176537 GMRWANZJRGEXCA-UTUOFQBUSA-N 323.393 -0.445 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CCN(C(=O)C(N)=O)CC(C)(C)C1 1757551638 AFMHFTNDGWNERG-NWDGAFQWSA-N 323.393 -0.357 30 20 DBED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COCCOC)[C@H]2C1 1786643110 RARWWGJDLWPYAT-IHRRRGAJSA-N 324.377 -0.738 30 20 DBED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCOC)CCO2 1835236446 NLWFVXWAURUGQD-OAHLLOKOSA-N 310.350 -0.888 30 20 DBED CN1N=C(C(=O)N2CCCC23CN(C(=O)CC#N)C3)CCC1=O 1841864247 WUHSPUYYPBBHDO-UHFFFAOYSA-N 317.349 -0.288 30 20 DBED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)[C@H]2CCCO2)C1 1843107889 BIYIBSNSZJCVQD-LLVKDONJSA-N 306.318 -0.543 30 20 DBED C#CCNC(=O)[C@@H](C)OC(=O)CNC(=O)COc1ccccc1 21570422 KBVMUSBQMIEEBI-GFCCVEGCSA-N 318.329 -0.137 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCCC[C@H]2CO)C1=O 269918928 UCODYXBBJXEPHT-JTQLQIEISA-N 309.322 -0.663 30 20 DBED COCC(=O)NC1CN(S(=O)(=O)c2ccc(C#N)nc2)C1 274974475 WUASKXSSXQNSGZ-UHFFFAOYSA-N 310.335 -0.911 30 20 DBED C[C@@H](CO)N(C)C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 291508984 IEBGTQNRBQVZJQ-JTQLQIEISA-N 311.363 -0.324 30 20 DBED Cn1c(NCCO[C@@H]2CCCCO2)c(C#N)c(=O)n(C)c1=O 292739991 VBWXVBYIRGSFIM-LLVKDONJSA-N 308.338 -0.089 30 20 DBED C=CCN(C(=O)[C@H](C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 330470608 WGFUNIKQJCJERP-QWHCGFSZSA-N 316.423 -0.091 30 20 DBED COC(=O)C1(O)CCN(S(=O)(=O)CC2(C#N)CC2)CC1 332008347 SQJCKJAPHYGGOL-UHFFFAOYSA-N 302.352 -0.380 30 20 DBED CCc1cnc(CNS(=O)(=O)N2CCO[C@@H](C#N)C2)o1 336931895 CBFJLVJXPQCSFJ-JTQLQIEISA-N 300.340 -0.204 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CCN2C(=O)NC[C@H]2C1 336943398 LHMJSPQUMICRJQ-JTQLQIEISA-N 301.372 -0.824 30 20 DBED CO[C@@H]1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)[C@@H](C)C1 337182072 BEPKTYQQFXWZQV-TUAOUCFPSA-N 303.384 -0.045 30 20 DBED C[C@@H]1CS(=O)(=O)C[C@H]1NS(=O)(=O)c1cccnc1C#N 341960324 GZUOWVJOTNOASF-PSASIEDQSA-N 315.376 -0.335 30 20 DBED C=CCOC[C@H]1NC(=O)N(CCNC(=O)c2cccnc2)C1=O 348470441 VPOFISLLCHINHE-GFCCVEGCSA-N 318.333 -0.066 30 20 DBED C=C[C@H](CO)NC(=O)C(=O)Nc1ccc(Cn2cncn2)cc1 354566186 NPULJCSESAIPBK-GFCCVEGCSA-N 315.333 -0.072 30 20 DBED N#CCC1(O)CN(C(=O)[C@H](Cc2ccccc2)NC(N)=O)C1 356559183 WIIOGHIKZJWVAZ-LBPRGKRZSA-N 302.334 -0.247 30 20 DBED CC(C)(C#N)CC(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 375750253 TTXZUYDIHXVYKS-ZDUSSCGKSA-N 322.409 -0.024 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)NC[C@H]1CN(C)CCN1C 407974985 HKEKRAASKKMNCY-RYUDHWBXSA-N 303.432 -0.699 30 20 DBED CCN(CCC#N)S(=O)(=O)N[C@@H]1CCC(=O)N(C)C1=O 425224753 ORJZXYJPBGDISK-SECBINFHSA-N 302.356 -0.796 30 20 DBED C=CCn1cc(CNC(=O)Nc2ccn(CC(=O)OC)n2)nn1 425657541 SWCGMFFCJRGNIB-UHFFFAOYSA-N 319.325 0.155 30 20 DBED C=CCNC(=O)CN1CCN(c2nccn3cnnc23)[C@H](C)C1 441045942 MLXQUHMIOBQOLG-GFCCVEGCSA-N 315.381 -0.063 30 20 DBED C#CCN1CCN(C(=O)CN[C@H]2CCCC[C@H]2C(N)=O)CC1 490715230 VKGTWDOHNDQXAB-KGLIPLIRSA-N 306.410 -0.603 30 20 DBED Cc1ccc(C(=O)O)cc1S(=O)(=O)NCC(=O)NCC#N 505854054 ZHQGBQYAKVYBOB-UHFFFAOYSA-N 311.319 -0.389 30 20 DBED CN(C(=O)C(=O)N1CCC(CCC#N)CC1)[C@H]1CNC[C@@H]1O 580327422 KVBYDKLDAFEUAG-STQMWFEESA-N 308.382 -0.680 30 20 DBED C=CCNC(=O)NC(=O)CN1C[C@@H](CN)C2(CCOCC2)C1 582487574 GCPVDTWVBZPKRK-GFCCVEGCSA-N 310.398 -0.315 30 20 DBED N#CCNS(=O)(=O)CCCS(=O)(=O)N1CC=CCC1 594637922 XCCUPWJDPWRBIN-UHFFFAOYSA-N 307.397 -0.589 30 20 DBED C=CCCSCCNC(=O)C(=O)N1CCO[C@H](C(=O)O)C1 595276038 KEQLDXAUHYWFFZ-JTQLQIEISA-N 316.379 -0.276 30 20 DBED COC(=O)CCN1CC[C@H](N2CCN(CCC#N)CC2)C1=O 595391000 AZSUHKOCWQUQFZ-ZDUSSCGKSA-N 308.382 -0.318 30 20 DBED CCN(C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)[C@H](C)C#N 598346553 LBUFBDAWWGIWPC-SECBINFHSA-N 318.337 -0.806 30 20 DBED COC(=O)C[C@H](O)CNC(=O)Nc1cc(C)n(CCC#N)n1 599764827 JZFCIEPEBPLOIE-JTQLQIEISA-N 309.326 0.151 30 20 DBED N#CCCN1CCN(C(=O)C(=O)N2CC[C@H]3NCC[C@H]3C2)CC1 601594940 PLZCFRQLTVDZLV-UONOGXRCSA-N 319.409 -0.745 30 20 DBED C=C[C@](C)(O)C(=O)NCC(CNC(=O)[C@@](C)(O)C=C)OC 613427292 PBVYISNWVJEGTD-KBPBESRZSA-N 300.355 -0.892 30 20 DBED CCOC[C@H](C(=O)OC)N(C)S(=O)(=O)N(C)[C@@H](C)CC#N 619750875 LCEHXORJCSMRCK-WDEREUQCSA-N 321.399 -0.025 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@@H]3CCC[C@]3(N)C2)C1=O 621698470 YOKYWXRTQFCTMT-BONVTDFDSA-N 320.349 -0.697 30 20 DBED C[C@](O)(C(=O)NCC#CCNC(=O)[C@](C)(O)C1CC1)C1CC1 672236122 QJWAKCDUTLWRSZ-HZPDHXFCSA-N 308.378 -0.456 30 20 DBED N#C[C@@H]1CN(C(=O)CS[C@H]2CCS(=O)(=O)C2)CCO1 701338408 YWHCBLWMDJPSLM-ZJUUUORDSA-N 304.393 -0.342 30 20 DBED C#CCNC(=O)CN1CCN(CCS(=O)(=O)CCC)CC1 728572018 UESZJMQWQCSMNT-UHFFFAOYSA-N 315.439 -0.822 30 20 DBED CCOC(=O)CON=C(C(=O)N1C[C@H](C)[C@H](O)C1)c1cc[nH]n1 772523281 ZMDOXCWLXYFDQP-GXSJLCMTSA-N 324.337 -0.467 30 20 DBED C#C[C@@H](NC(=O)Cn1nc2ccccn2c1=O)[C@@H]1CCCO1 772878842 JSFGCHKPJYPSTE-NEPJUHHUSA-N 300.318 -0.207 30 20 DBED CCOC(=O)[C@H](CO)NC(=O)C#Cc1ccc2c(c1)OCO2 782771521 ZQKZOFQIPNWVPQ-NSHDSACASA-N 305.286 -0.193 30 20 DBED C#C[C@@H](NC(=O)C(=O)NCCCOCCOC)[C@H]1CCCO1 785563922 TZHBYDLPDAMASN-CHWSQXEVSA-N 312.366 -0.547 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(C)(C)N1CCOCC1 801188151 HCDAFJODXWUOQD-UHFFFAOYSA-N 304.412 -0.186 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccoc1CC(N)=O 803941250 MJFDGWMCBUJCAW-MRVPVSSYSA-N 323.305 -0.136 30 20 DBED CN(C)c1c(C=NNc2cnn(C)c2)c(=O)n(C)c(=O)n1C 807985276 MXTSIIFXBYMMDX-UHFFFAOYSA-N 305.342 -0.671 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCO[C@H](COC)C1)[C@H]1CCCO1 809307741 HEPBSTDDTDBVON-RWMBFGLXSA-N 310.350 -0.843 30 20 DBED Cn1cc([C@H](O)CNS(=O)(=O)c2cncc(C#N)c2)cn1 810052430 ZBLUUHDRGQUFMG-GFCCVEGCSA-N 307.335 -0.301 30 20 DBED O=C(CNC(=O)NCc1ccco1)N[C@H]1CCCN(O)C1=O 820476413 LSKYUKYDMOHFJC-JTQLQIEISA-N 310.310 -0.425 30 20 DBED C#CCOCCN[C@@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 823856563 UCACEYTTXMZRBZ-GFCCVEGCSA-N 300.322 -0.368 30 20 DBED Cc1[nH]nc(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[nH]2)c1O 826322105 ZHPRNHCYEXJAGA-UHFFFAOYSA-N 300.242 -0.549 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(NC(=O)[C@H](C)OCC#C)CC1 831237380 SUPKAVCMPZPXDP-STQMWFEESA-N 306.362 -0.172 30 20 DBED C=CCNC(=O)CNC(=O)C(=O)Nc1sccc1C(=O)O 833377113 MSRXLAXWRDAJAC-UHFFFAOYSA-N 311.319 -0.197 30 20 DBED CC#CC[C@H](CO)NC(=O)[C@H](O)[C@H](O)c1nc2ccccc2[nH]1 844113745 WUMLIUXSEYEGHA-DDTOSNHZSA-N 317.345 -0.152 30 20 DBED C=C(C)CONC(=O)CNS(=O)(=O)c1cn(C)c(C)n1 846539670 LGGDKGKGVBQAMW-UHFFFAOYSA-N 302.356 -0.369 30 20 DBED Cn1cc(-c2n[nH]cc2C(=O)N[C@@H]2CCCN(O)C2=O)cn1 848134522 WGQWEPYRTWEDAV-SNVBAGLBSA-N 304.310 -0.080 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CC[C@@H](N2CCOC2=O)C1 849437084 CNCANABRTPXIKJ-LLVKDONJSA-N 316.383 -0.007 30 20 DBED C#CCOCCC(=O)N1C[C@@H](C(=O)OC)CC[C@@H]1C(=O)OC 862823008 CKRSOGBDJITTEX-NWDGAFQWSA-N 311.334 -0.021 30 20 DBED COC(=O)c1c(S(=O)(=O)Nc2c[nH]nc2C#N)n[nH]c1C 912562272 CBGIXSSFEUQBKZ-UHFFFAOYSA-N 310.295 -0.100 30 20 DBED C#CCN1CCC[C@H](NC(=O)[C@@H](C)NS(=O)(=O)CC)C1 923559091 FBCPTMGELXQCEV-NEPJUHHUSA-N 301.412 -0.472 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2CCCN2C(=O)CC(N)=O)nn1 943923309 MBJAHXQVFZUKIF-SNVBAGLBSA-N 320.353 -0.940 30 20 DBED C#CCN1CCC(C(=O)NC[C@H]2CN(C(C)=O)CCO2)CC1 944628841 SNLJNYHCQQIYON-HNNXBMFYSA-N 307.394 -0.305 30 20 DBED O=C(Cn1cnnc1O)NC1CCN(C(=O)C#CC2CC2)CC1 946689925 BDBXVOWOMQKLJF-UHFFFAOYSA-N 317.349 -0.496 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3C[C@H]2N(C(=O)c2nc[nH]n2)C3)c1 946880159 NQNJWDIGTQVRIV-JMJZKYOTSA-N 311.305 -0.353 30 20 DBED C=CCN1CC[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C[C@H]1C 947761822 QUUCCIWCPYSVIS-VXGBXAGGSA-N 320.393 -0.147 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C[C@@H]1C 948071330 XACIHUAUPDEDRN-NWDGAFQWSA-N 320.397 -0.078 30 20 DBED N#CCN1CCC2(CC1)CN(C(=O)c1c[nH]c(=O)cn1)CCO2 949166845 CJILAIXVVCPXGG-UHFFFAOYSA-N 317.349 -0.400 30 20 DBED C[C@@]1(C(=O)N2CCC3(CC2)CN(CC#N)CCO3)CNC(=O)C1 949423821 QCDMOJBCYHVQCZ-HNNXBMFYSA-N 320.393 -0.270 30 20 DBED CN1CCOC[C@@H]1C(=O)NC[C@@H]1CCN1C(=O)C#CC1CC1 949482777 YEMYBSRGQXOXKM-UONOGXRCSA-N 305.378 -0.553 30 20 DBED CN(C(=O)c1cc(C#N)c[nH]1)C1CN(C(=O)[C@H]2CCNC2=O)C1 953994830 WOEVEBPMCMTQFG-NSHDSACASA-N 315.333 -0.695 30 20 DBED C[C@@H](C#N)C(=O)N1CC(N(C)C(=O)[C@H]2CCNC(=O)CC2)C1 954852904 PHYQHPXNTOCBMR-WDEREUQCSA-N 306.366 -0.268 30 20 DBED C#Cc1ccc(C(=O)N(C)C2CN(C(=O)c3cn(C)nn3)C2)cn1 954916067 CGUDYGDKPUCHEO-UHFFFAOYSA-N 324.344 -0.212 30 20 DBED Cn1nnc(C(=O)N[C@]2(C)CCN(C(=O)C#CC3CC3)C2)n1 957324216 YFQNNHDHPRHGLJ-CQSZACIVSA-N 302.338 -0.656 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2ccn(CCN(C)C)n2)C1 958076361 DVJSNQSIWVQUCV-DZGCQCFKSA-N 319.409 -0.900 30 20 DBED C#CCN1C[C@H](CNC(=O)c2ccnc3c2nnn3C)[C@@H](O)C1 958351035 WYVNVGBPUZHNQP-JQWIXIFHSA-N 314.349 -0.981 30 20 DBED Cc1ncn(C)c1C(=O)N(C)[C@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1O 958870582 IKEBOAZPZSMJEI-USWWRNFRSA-N 319.365 -0.468 30 20 DBED Cn1cnc(C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2O)c1 962298083 DJBKFRCHZCMEHA-YPMHNXCESA-N 302.334 -0.865 30 20 DBED CC#CCN1C[C@H]2[C@H](NC(=O)CN3C(=O)NC(C)(C)C3=O)[C@H]2C1 962458062 WEPRULPSXGQDPF-PJXYFTJBSA-N 318.377 -0.614 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H]2[C@H]1CCN2C(=O)Cn1cnnn1 963520957 QCVGJXJUAPWMCE-GRYCIOLGSA-N 317.353 -0.575 30 20 DBED C[C@H](C#N)C(=O)N1CC(N2CCN(C(=O)c3ccon3)CC2)C1 967186379 CLPUMXABTGHSGO-LLVKDONJSA-N 317.349 -0.197 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C2CN(C(=O)c3cn[nH]c3)C2)CC1 967243611 HHDMJEWRQOOYLM-LLVKDONJSA-N 316.365 -0.462 30 20 DBED C=CCN1CC[C@H](N[C@@H]2CCN(C(=O)c3cnon3)C2)C1=O 970305925 IQMCPVCNGLPLBQ-MNOVXSKESA-N 305.338 -0.339 30 20 DBED O=C(Cc1cnc[nH]1)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 970951099 NUHLLANQCGWNNA-OLZOCXBDSA-N 302.334 -0.947 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)[C@@H]3CC(=O)N(CC)C3)C2)C1 972406892 IHDNIHKNNLMUTP-PBHICJAKSA-N 319.405 -0.209 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@]3(CN(CCO)CCO3)C2)nc1 972642516 IXKLDYZMQLEDPT-KRWDZBQOSA-N 315.373 -0.028 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]2CCN(C(=O)Cn3cncn3)C[C@@H]21 976048612 RPFTVBWKIYGUKL-AVGNSLFASA-N 316.365 -0.113 30 20 DBED CC(C)(C)n1nnc(C(=O)NC[C@H]2[C@@H]3CN(CC#N)C[C@H]23)n1 978204609 DBGFWMLTDLVMIG-RTCCRHLQSA-N 303.370 -0.141 30 20 DBED N#CCN1CCCN(C(=O)[C@@H]2CCc3nnnn3CC2)CC1 982002282 BLNQVHOUCRHCGR-GFCCVEGCSA-N 303.370 -0.317 30 20 DBED CC[C@@H]1[C@@H](NC(=O)[C@H]2CNC(=O)N2)CCN1C(=O)C#CC1CC1 985371100 CXYKTHRMJSMMGL-YNEHKIRRSA-N 318.377 -0.423 30 20 DBED C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)CN2CC(=O)NC2=O)C1 989565337 FUDNZIBIUFHADJ-ZJUUUORDSA-N 314.773 -0.130 30 20 DBED N#Cc1ccc(C(=O)N2CC(NC(=O)C3=COCCO3)C2)[nH]1 990125144 LXBSUZJJPALVAG-UHFFFAOYSA-N 302.290 -0.285 30 20 DBED C#Cc1ccc(C(=O)N2C[C@H](n3ccnn3)[C@H](NC(C)=O)C2)cn1 990775435 YSUIDEDRXQXTCY-CABCVRRESA-N 324.344 -0.144 30 20 DBED CN1C[C@H](C(=O)N2CC(NC(=O)c3c[nH]c(C#N)c3)C2)CC1=O 990933325 WICBKDFMFKIBEA-SNVBAGLBSA-N 315.333 -0.695 30 20 DBED C=CC(C)(C)C(=O)N1CC(NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 991558168 QZJQWUBHVKRWBD-VIFPVBQESA-N 308.338 -0.876 30 20 DBED CC(=O)N1CCO[C@H](C(=O)N[C@@]23CCC[C@@H]2N(CC#N)CC3)C1 992463894 HIJDXOLJXGNRMC-OFQRWUPVSA-N 320.393 -0.130 30 20 DBED C[C@@H]1[C@H](NC(=O)CN2CCC(=O)NC2=O)CCCN1CC#N 994170049 UWMZKLHKVWLWGL-GHMZBOCLSA-N 307.354 -0.579 30 20 DBED C#CCNC1CCN(C(=O)C2(n3cnnn3)CCOCC2)CC1 997085043 RJTQYOKFTZZJGV-UHFFFAOYSA-N 318.381 -0.607 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)Cc3cncn3C)C2)nc1 997088212 OFKQUUKXASDQSA-UHFFFAOYSA-N 323.356 -0.020 30 20 DBED N#Cc1cc(C(=O)N2CCC[C@H](N[C@@H]3CCNC3=O)C2)c[nH]1 998967970 DVLDQUVTHRFJEP-WCQYABFASA-N 301.350 -0.031 30 20 DBED CC[C@H]1CCCN1C(=O)C(=O)NC1CN(C(=O)[C@H](C)C#N)C1 999716998 DSROZNJTCZQCRS-PWSUYJOCSA-N 306.366 -0.126 30 20 DBED C#CCN1CC[C@H](n2cc(CNC(=O)c3ncn(C)n3)nn2)C1 999989206 FADWDKUOSZAWCZ-LBPRGKRZSA-N 314.353 -0.783 30 20 DBED N#CCN1CCC(NC(=O)CN2CCCS2(=O)=O)CC1 1002963632 VFKOWLVAAABJIW-UHFFFAOYSA-N 300.384 -0.874 30 20 DBED C#Cc1ccc(C(=O)N2CC(CNC(=O)c3cnon3)C2)cn1 1003808447 PXKFVDOGZYPDOD-UHFFFAOYSA-N 311.301 -0.052 30 20 DBED C#CCCN1CCC(N(C)C(=O)Cn2ccc(O)nc2=O)CC1 1005676163 LRFYKSOYBGSNRP-UHFFFAOYSA-N 318.377 -0.105 30 20 DBED COCC(=O)N1C[C@@H]2C(CNC(=O)c3c[nH]c(C#N)c3)[C@H]2C1 1008984623 ZMHCHPJVEKLHNR-CHWSQXEVSA-N 302.334 -0.033 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C(=O)c2ccc(C(N)=O)[nH]2)CC1 1012332950 OXPLRSZXHICHJX-SECBINFHSA-N 303.322 -0.442 30 20 DBED C=C(Cl)CN1CC[C@@H](NC(=O)CN2CCNC(=O)C2)C1 1015508163 HJRNEPOOPCHCQZ-LLVKDONJSA-N 300.790 -0.639 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CC[C@H](C)N(C(=O)C(N)=O)C2)cn1 1018296597 BWYYGUAPKAGPSC-GXFFZTMASA-N 314.345 -0.343 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H](N[C@@H](CC)C(N)=O)C2)nn1 1019482048 DPXCSJFESTUWMT-QWRGUYRKSA-N 306.370 -0.468 30 20 DBED C=CCCN1CCC[C@@H]1CNC(=O)c1cn(CC(N)=O)nn1 1028334876 JMPWGALDDVYXQK-LLVKDONJSA-N 306.370 -0.466 30 20 DBED C=CCn1cc(C(=O)N2C[C@@H]3C[C@H]2CN3[C@@H]2CCNC2=O)nn1 1032671556 WJZUIQNBAPGBNP-GMXVVIOVSA-N 316.365 -0.749 30 20 DBED C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cn(CC(N)=O)nn1 1032802959 UVQDFNBKUDSSOA-QWRGUYRKSA-N 304.354 -0.762 30 20 DBED C#CCCN1CC2(CCN(C(=O)C[C@H]3CC(=O)NC3=O)CC2)C1 1035862453 LMYCAPOXJLZUIH-CYBMUJFWSA-N 317.389 -0.013 30 20 DBED Cn1c(O)ncc(C(=O)N2CC[C@H]3[C@@H](CCN3CC#N)C2)c1=O 1036791064 RXSRXMJZWAMUBL-JQWIXIFHSA-N 317.349 -0.454 30 20 DBED C=CCCn1cc(C(=O)NC[C@H]2CCN2[C@@H](C)C(N)=O)nn1 1038791369 XUUKCGLSAPDOCA-WDEREUQCSA-N 306.370 -0.468 30 20 DBED N#CCN1CC[C@@H](C2CCN(C(=O)[C@H]3CNC(=O)N3)CC2)C1 1039155867 VWRXRKLJTUSPAF-CHWSQXEVSA-N 305.382 -0.248 30 20 DBED C#CCOCCC(=O)NC[C@]1(O)CCN(C(=O)C#CC(C)C)C1 1039719501 VMAULNMVBVSLNY-QGZVFWFLSA-N 320.389 -0.235 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@]1(O)CCN(C(=O)c2cc[nH]c2)C1 1039725312 GJWDHHHRDRXSES-BLLLJJGKSA-N 319.361 -0.254 30 20 DBED Cc1nonc1C(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1O 1041078970 OAFKPIVXVRNZDN-VXGBXAGGSA-N 314.305 -0.376 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(c3ncccn3)C[C@H]2O)nc1 1041110743 ZEMAKJQWZWIHSI-ZIAGYGMSSA-N 309.329 -0.168 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)[C@@H](C)OCC)C1 1041635384 BVOBYXMSUJAKKT-VXGBXAGGSA-N 312.366 -0.861 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)c2ccc(O)nn2)C1 1041951826 IPKHHOUSKGYCRP-UHFFFAOYSA-N 306.322 -0.549 30 20 DBED COC(=O)[C@H]1C[C@@H]1C(=O)NCC1(O)CN(C(=O)C#CC(C)C)C1 1041983568 CLTKLXZEAUCCMU-RYUDHWBXSA-N 322.361 -0.856 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)[C@@]23COC[C@@H]2C3)C1 1042805449 OQXGQXYOGYRMAU-LRDDRELGSA-N 306.362 -0.484 30 20 DBED Cc1cncn1CC(=O)N1CC(O)(CNC(=O)C#CC(C)C)C1 1042941093 KOHIOBOJWWSVDL-UHFFFAOYSA-N 318.377 -0.460 30 20 DBED Cn1cnc(C(=O)N2CC(O)(CNC(=O)C#CC3CC3)C2)c1 1042958989 RKOGSIYBXNYIIV-UHFFFAOYSA-N 302.334 -0.863 30 20 DBED O=C(C#CC1CC1)NCC1(O)CN(C(=O)[C@@H]2C[C@@]23CCOC3)C1 1042960784 ODDBGMABUUYKKG-XJKSGUPXSA-N 318.373 -0.484 30 20 DBED C=CCN1CC[C@@H](N2CC(N(C)C(=O)c3cnn[nH]3)C2)C1=O 1043205564 RYQZOOUVRCVCIY-GFCCVEGCSA-N 304.354 -0.652 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)CCc2ccn(C)n2)C1 1043318575 PCWPAKJUEHVVQB-NSHDSACASA-N 319.365 -0.798 30 20 DBED C#CCNC(=O)CC(=O)N1CC(O)(CNC(=O)CC2(C)CC2)C1 1043935495 NAIFITRIADGSPP-UHFFFAOYSA-N 321.377 -0.994 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 1045546203 JKTQJPMLTKQFFB-ZDEQEGDKSA-N 321.377 -0.349 30 20 DBED CCCN(C)CCC(=O)N1CC(O)(CNC(=O)[C@H](C)C#N)C1 1045546430 MAFANLGSCIXJKA-GFCCVEGCSA-N 310.398 -0.433 30 20 DBED Cn1nncc1C(=O)NC[C@@H]1CC2(CCN(CC#N)CC2)CO1 1045670117 ODJVUVWUYBQDBA-LBPRGKRZSA-N 318.381 -0.060 30 20 DBED C#CCN1CC[C@@H](N2CCN(C(=O)[C@H]3COCCO3)CC2)C1 1046006267 IICHBSAKMGMVLJ-HUUCEWRRSA-N 307.394 -0.747 30 20 DBED N#CCN1CC[C@H](N2CCN(C(=O)Cn3nccn3)CC2)C1 1046034132 QAYCMHBWLHMKPZ-ZDUSSCGKSA-N 303.370 -0.980 30 20 DBED C#CCCN1CC[C@@H](N2CCN(C(=O)C(C)(C)C(N)=O)CC2)C1 1046037435 PHXVZEQCYXXUAO-CQSZACIVSA-N 320.437 -0.260 30 20 DBED N#CCN1CC[C@H](N2CCN(C(=O)c3c[nH]c(=O)cn3)CC2)C1 1046054020 GSDSACZOTZXSAN-LBPRGKRZSA-N 316.365 -0.874 30 20 DBED C[C@@]1(C(=O)N2CCN([C@H]3CCN(CC#N)C3)CC2)CCNC1=O 1046060990 HASJBPMTHOFMKK-XJKSGUPXSA-N 319.409 -0.745 30 20 DBED C#CCN1CCC(F)(F)[C@H](CNC(=O)[C@@H]2COC(=O)N2)C1 1046933515 DWDAHULXRGBHDF-ZJUUUORDSA-N 301.293 -0.199 30 20 DBED C#CCCN1C[C@H]2C[C@@H](NC(=O)Cn3c(O)nnc3O)C[C@H]1C2 1047189954 GKSXEXUNUMOXEC-QJPTWQEYSA-N 319.365 -0.318 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)c2ccnn2C)C[C@@H]1O 1049389275 WHTVAKQFJWTPIN-DLOVCJGASA-N 305.338 -0.777 30 20 DBED N#CCN1CCOC[C@@H]1CNC(=O)[C@@H]1CCc2nc[nH]c2C1 1051199669 HMGFIXQJDFWAOB-NEPJUHHUSA-N 303.366 -0.145 30 20 DBED CC#CCN1CCOC[C@H]1CNC(=O)c1ccc(C(N)=O)cn1 1051265158 DBWIUKMOTDEVNH-CYBMUJFWSA-N 316.361 -0.366 30 20 DBED N#CCN1CCN([C@@H]2CCN(C(=O)Cc3ncc[nH]3)C2)CC1 1052101795 WFCRAAVYMJJFON-CYBMUJFWSA-N 302.382 -0.306 30 20 DBED CC#CCN1CCC[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)CC1 1052921625 KBMLGHABNTXVMT-CYBMUJFWSA-N 320.393 -0.126 30 20 DBED C=C[C@H](C)[C@H](C)C(=O)NCCN1CCC(NC(=O)C(N)=O)CC1 1055618152 FTDDWXCNCWVQEY-RYUDHWBXSA-N 324.425 -0.373 30 20 DBED Cc1ccc(C#N)c(N2CCN(C(=O)[C@@H]3CNC(=O)N3)CC2)n1 1055998982 RXOAPOLBEGSMAD-LBPRGKRZSA-N 314.349 -0.408 30 20 DBED C=C[C@@H](C)[C@@H](C)C(=O)NCCN(CCO)C(=O)CNC(N)=O 1056919259 MXFZNTRSGGHBDA-GHMZBOCLSA-N 314.386 -0.950 30 20 DBED C#CCO[C@H](C)C(=O)N(CCO)CCNC(=O)[C@H](CC)OC 1057582964 DFYNXNQKSOEWFI-OLZOCXBDSA-N 314.382 -0.613 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)CN1CCCC1 1057641265 YZGWVHAPWDNVNY-UHFFFAOYSA-N 309.410 -0.177 30 20 DBED C=C(C)CCC(=O)N(CCO)CCNC(=O)Cn1cncn1 1057806680 NBCJTKGTMVEDLC-UHFFFAOYSA-N 309.370 -0.429 30 20 DBED C=CC(C)(C)C(=O)N(CCO)CCNC(=O)[C@H](C)CC(N)=O 1058305710 DYMZRXVDZQYZFL-LLVKDONJSA-N 313.398 -0.353 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)C[C@@H](C)n1ccnc1 1058659118 SYEXDDCELIOKFQ-CHWSQXEVSA-N 321.381 -0.069 30 20 DBED C=CCC1(C(=O)N(CCO)CCNC(=O)CC(N)=O)CCC1 1058733705 JOQZJGFHZUZMBD-UHFFFAOYSA-N 311.382 -0.455 30 20 DBED N#Cc1ccc(N[C@@H]2CC[C@@H]3CN(C(=O)C(N)=O)C[C@@H]32)nn1 1060552990 MLTXFZGBESETFK-DVVUODLYSA-N 300.322 -0.518 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 1060992625 ZWHBEWAHQNCTNR-UHTWSYAYSA-N 313.361 -0.243 30 20 DBED C=CCCCC(=O)N1CCOC[C@@H]1CNC(=O)Cn1cnnn1 1061278232 VLJJPABXTXZOBJ-LBPRGKRZSA-N 322.369 -0.627 30 20 DBED O=C(Cc1ccon1)NC[C@H]1COCCN1C(=O)C#CC1CC1 1061452158 UXBOGNWODOUOMY-AWEZNQCLSA-N 317.345 -0.026 30 20 DBED N#Cc1nccnc1N1CC[C@H](CNC(=O)[C@@H]2COCCO2)C1 1061526174 XMUUHPPAVYCIKW-YPMHNXCESA-N 317.349 -0.294 30 20 DBED N#Cc1ccc(N2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CNC(=O)N2)cn1 1062569369 JJBRCEQYYILHCF-AVGNSLFASA-N 312.333 -0.576 30 20 DBED C=CCO[C@@H](C)C(=O)NCC1(NC(=O)CC(=O)NC)CCC1 1063424162 NDOMZHOYRJRCCO-NSHDSACASA-N 311.382 -0.131 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)C[C@@H]2CCC(=O)N2)CCC1 1064306282 GBIWWPXLHGZLSS-MNOVXSKESA-N 306.366 -0.030 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H]1CN(C(=O)/C(C)=C\C)CCO1 1065027378 KUUTUSIJJKBTIZ-XLVZXTRVSA-N 321.377 -0.564 30 20 DBED C[C@H]1CN(C(=O)c2nccnc2N)C[C@H]1N=c1cc[nH]c(C#N)n1 1067057748 NMXBAWPKHDFQBL-VHSXEESVSA-N 324.348 -0.285 30 20 DBED N#Cc1nccnc1N1C[C@@H](O)[C@@H](CNC(=O)c2ccc[nH]2)C1 1067657066 VXPVXTKBGYJLEM-GXFFZTMASA-N 312.333 -0.097 30 20 DBED N#Cc1cnccc1N1C[C@H](O)[C@H](CNC(=O)c2cnn[nH]2)C1 1067698153 SMACGVBFTIPHNV-MFKMUULPSA-N 313.321 -0.702 30 20 DBED C=CCCC(=O)N[C@@H]1COC2(C1)CN(C(=O)CN(C)C(C)=O)C2 1068748927 ZXSBZSCXEGNLKJ-ZDUSSCGKSA-N 323.393 -0.083 30 20 DBED C#CCCCC(=O)N[C@H]1COC2(C1)CN(C(=O)c1cnn[nH]1)C2 1068833436 NTDZLAXBOCTRMS-LLVKDONJSA-N 317.349 -0.292 30 20 DBED C=CCOCC(=O)N1CC2(C[C@H](NC(=O)[C@@H](C)C#N)CO2)C1 1069003550 NJTSZMWREXQZKS-RYUDHWBXSA-N 307.350 -0.165 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC[C@]2(CCCN(C(=O)C(N)=O)C2)C1 1069775963 HFNZSXVUCIMZCF-LRDDRELGSA-N 323.393 -0.096 30 20 DBED C#CCN[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@@H]1n1ccnn1 1070273905 KFICEJPMQUJYSO-ZNMIVQPWSA-N 316.409 -0.263 30 20 DBED C[C@@H]1CN(C(=O)CN2CCCC2=O)C[C@]2(CCN(CC#N)C2)O1 1071133857 HUEWHLWUUNCETP-CZUORRHYSA-N 320.393 -0.176 30 20 DBED C[C@@H]1CN(C(=O)c2cc(=O)n(C)o2)C[C@]2(CCN(CC#N)C2)O1 1071158842 CBAWXVBAASGMCU-IAQYHMDHSA-N 320.349 -0.193 30 20 DBED C=CCOCC(=O)N1C[C@@H](C)[C@@H](NC(=O)c2cc(=O)n(C)o2)C1 1071809796 YUARWZFEBAQUSO-MNOVXSKESA-N 323.349 -0.242 30 20 DBED C=CCN1CCO[C@H]2CCN(C(=O)c3c[nH]c(=O)cn3)C[C@@H]21 1074323233 BJDOCWIJXMQQBZ-STQMWFEESA-N 304.350 -0.129 30 20 DBED CC#CCN1CCO[C@@H]2CCN(C(=O)Cn3cncn3)C[C@@H]21 1074399943 LVAVVSGTSKKAHA-UONOGXRCSA-N 303.366 -0.397 30 20 DBED C#CCCCC(=O)NCC1(O)CCN(C(=O)c2nc[nH]n2)CC1 1074669955 IMVSNUFXGJKZPI-UHFFFAOYSA-N 319.365 -0.309 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(O)(CNC(=O)c2cnco2)CC1 1074706371 KEBSXGBKOXRBOQ-JTQLQIEISA-N 306.322 -0.082 30 20 DBED C[C@@H](CCNC(=O)[C@@H]1COC(=O)N1)NC(=O)c1ccc(C#N)[nH]1 1076344556 QLPMRUDQLRDFFE-KWQFWETISA-N 319.321 -0.381 30 20 DBED C#CCOCCC(=O)NCC[C@H](C)NC(=O)[C@H]1CCCC(=O)N1 1076506371 UFYIHKRYYUOSEX-QWHCGFSZSA-N 323.393 -0.294 30 20 DBED C=CCCOCC(=O)NCC[C@H](C)NC(=O)Cn1cncn1 1077064185 VBSVERYOKHBSKT-LBPRGKRZSA-N 309.370 -0.118 30 20 DBED C=C(Br)CN1C[C@@H](O)[C@H](NC(=O)c2cnn[nH]2)C1 1077287356 VONDSNLBKLUQLM-RKDXNWHRSA-N 316.159 -0.512 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2ccnn2C)C1 1077430504 ODCYFDJFBBYFHY-RGCMKSIDSA-N 302.378 -0.292 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H](C)CCNC(=O)c1nnn(C)n1 1077880424 BBOPCTYXPLHIIA-UWVGGRQHSA-N 310.358 -0.574 30 20 DBED Cc1cn2ccnc(C(=O)N[C@@H]3CN(CC#N)C[C@H]3O)c2n1 1077963737 DNINSDSJABEDNE-GHMZBOCLSA-N 300.322 -0.664 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)[C@@]2(C)CCN(C(C)=O)C2)C1 1077963938 MVYZIIJOSDLHJF-FMKPAKJESA-N 309.410 -0.018 30 20 DBED C=CCN[C@H]1C[C@H](NC(=O)CN2CC(=O)NC2=O)C12CCC2 1078749523 NNROGGHICDLRPN-QWRGUYRKSA-N 306.366 -0.259 30 20 DBED CC#CCN1C[C@@H](NC(=O)CN2CCCS2(=O)=O)[C@H](C)C1 1079809575 WUVQKPIKHADVSF-CHWSQXEVSA-N 313.423 -0.518 30 20 DBED C[C@H](C#N)C(=O)NC1(CO)CCN(C(=O)CC(=O)N(C)C)CC1 1080981804 MFOCIFLACTWXGG-LLVKDONJSA-N 324.381 -0.906 30 20 DBED CCC(=O)NCC(=O)NC[C@@H]1CN(C(=O)C#CC(C)C)C[C@H]1O 1081349901 VTUSYZVAEYNZMM-CHWSQXEVSA-N 323.393 -0.893 30 20 DBED C#CCOCCC(=O)N1C[C@H](CNC(=O)c2cc[nH]c2)[C@@H](O)C1 1081539119 JLPRGNBIYOVRST-KBPBESRZSA-N 319.361 -0.396 30 20 DBED CC1(C(=O)NC[C@H]2CN(C(=O)CSCC#N)C[C@H]2O)CC1 1081539955 UFQKRJQEJWHGIP-WDEREUQCSA-N 311.407 -0.021 30 20 DBED C=C(C)CCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2nnn(C)n2)C1 1081655812 KXXWUCNXJDKXGU-GHMZBOCLSA-N 322.369 -0.885 30 20 DBED Cn1c(O)ncc(C(=O)N2C[C@H]3CCN(CC#N)C[C@H]32)c1=O 1084570098 VAJAXGWCRYCKSB-MWLCHTKSSA-N 303.322 -0.844 30 20 DBED C=CCN1CC[C@@H](NC(=O)c2cnc3n2CCOC3)[C@H](O)C1 1090336037 DKPYVWLMAXQNNX-DGCLKSJQSA-N 306.366 -0.236 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)c2nnc(O)nc2O)[C@H](O)C1 1090397026 QTTRGTRXMBWOOR-RKDXNWHRSA-N 309.326 -0.976 30 20 DBED Cc1nn(C)c(C)c1CC(=O)N[C@@H]1CCN(CC#N)C[C@H]1O 1090464295 RSOCSWBBIYVXIR-ZIAGYGMSSA-N 305.382 -0.346 30 20 DBED C=C1CC(C)(C(=O)N[C@H]2CCN(CC(=O)N(C)C)C[C@@H]2O)C1 1090553623 PDNPSNCKTNYTAX-STQMWFEESA-N 309.410 -0.018 30 20 DBED C=CCN1CC[C@@H](NC(=O)c2cnn3c(=O)cc[nH]c23)[C@H](O)C1 1090630145 LLQLGXIZPKVLQY-VXGBXAGGSA-N 317.349 -0.626 30 20 DBED CNC(=O)NCC(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1C 1090838514 MMXRVDKIIFVFSO-MWLCHTKSSA-N 317.353 -0.782 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)c2ccc(C(N)=O)nc2)[C@H](O)C1 1090851469 DMNLJXYBEJKOPV-GXTWGEPZSA-N 318.377 -0.078 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2CN(CC(N)=O)C[C@H]2C)nc1 1093141228 OAQRUTATNDVLPN-DGCLKSJQSA-N 300.362 -0.154 30 20 DBED Cc1cc(C#N)nc(NCCNC(=O)[C@@]2(C)CNC(=O)C2)n1 1094005577 PQEWFVAOZVZCRF-CQSZACIVSA-N 302.338 -0.289 30 20 DBED N#Cc1cncc(NCCNC(=O)c2cnc3[nH]nnc3c2)n1 1094211650 IWPUTWJXOGNUKM-UHFFFAOYSA-N 309.293 -0.144 30 20 DBED CN(CCCNC(=O)C(=O)NCC1CC1)c1ccc(C#N)nn1 1095617631 MXEJMIMRSFSCRW-UHFFFAOYSA-N 316.365 -0.183 30 20 DBED CN1C[C@@H](C(=O)NCCCN(C)c2nccnc2C#N)CC1=O 1095761969 UZQNNXCIDCVDFG-NSHDSACASA-N 316.365 -0.231 30 20 DBED C[C@H]1CN(C(=O)c2nnn(C)n2)CC2(CCN(CC#N)CC2)O1 1098627433 RKEUPCMQCSFCOB-NSHDSACASA-N 319.369 -0.571 30 20 DBED C[C@@H](CCNC(=O)c1cnnc(O)c1)N=c1cc[nH]c(C#N)n1 1099569340 HPRHLMDAUPQPLB-VIFPVBQESA-N 313.321 -0.114 30 20 DBED CN(C(=O)CN1CC[C@@H](NC(=O)C#CC2CC2)[C@H](O)C1)C1CC1 1099823666 HGCWMWNWCZBJNR-HUUCEWRRSA-N 319.405 -0.428 30 20 DBED C#CCCCC(=O)NCC1CC(N[C@@H](C)C(=O)NC(N)=O)C1 1100285450 JEJWSULVNBEJCJ-UNXYVOJBSA-N 308.382 -0.142 30 20 DBED C#CCO[C@H](C)C(=O)NCC1CC(NCC(=O)NCC=C)C1 1100322686 QZDZEEXQKHWSEB-IYXRBSQSSA-N 307.394 -0.189 30 20 DBED CN(CCNC(=O)c1ccc(=O)n(C)c1)c1nccnc1C#N 1100402036 QRTNWCNXGKZJFI-UHFFFAOYSA-N 312.333 -0.087 30 20 DBED C=CCNC(=O)CNC1CC(CNC(=O)c2cnnc(O)c2)C1 1100425315 BEVFUOJYEGKZJN-UHFFFAOYSA-N 319.365 -0.418 30 20 DBED CNC(=O)NCC(=O)NC[C@H]1CCN(c2ccncc2C#N)C1 1101065670 BENRRRGEYYLTAM-LLVKDONJSA-N 316.365 -0.175 30 20 DBED CCCN(CCNC(=O)[C@@H]1CNC(=O)N1)c1nccnc1C#N 1101235647 BIJCNJJWXKLOOI-NSHDSACASA-N 317.353 -0.638 30 20 DBED CNC(=O)NCC(=O)NCCN(c1cncc(C#N)n1)C1CC1 1101461139 MTUKCLWLAHJROO-UHFFFAOYSA-N 317.353 -0.638 30 20 DBED CC(=O)NCCOCCN1C[C@@H](C)[C@H](CNC(=O)[C@H](C)C#N)C1 1101823409 AEWMMKZANIPWLF-UMVBOHGHSA-N 324.425 -0.017 30 20 DBED CC[C@@H](CNC(=O)[C@H]1CN(C)C(=O)N1)N=c1cc[nH]c(C#N)n1 1103261740 RUYNTMPTDPVYKA-VHSXEESVSA-N 317.353 -0.900 30 20 DBED C#CCN1C[C@@H](C)[C@H](CCNC(=O)Cn2nc(C)n(C)c2=O)C1 1103688119 KUNRJSXNFQVVTQ-TZMCWYRMSA-N 319.409 -0.402 30 20 DBED CC(=O)NCC(=O)NCC[C@H]1CCCN1c1cncc(C#N)n1 1103717333 MMFHOIXIAPUHEF-CYBMUJFWSA-N 316.365 -0.041 30 20 DBED C=CCOCCNCC[C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1C 1103861837 OXTVKAIKHCKAEZ-CHWSQXEVSA-N 312.414 -0.069 30 20 DBED Cc1cc(=NC[C@H](C)CNC(=O)[C@@H]2CNC(=O)N2)c(C#N)c[nH]1 1104183098 BFWFIPVOGGQSOU-ZANVPECISA-N 316.365 -0.471 30 20 DBED COCCC(=O)NC[C@@H]1CN(c2cnc(C#N)cn2)CCO1 1104284800 ODGKNZPQJGVWFJ-GFCCVEGCSA-N 305.338 -0.294 30 20 DBED C[C@@H](CNc1cncc(C#N)n1)N(C)C(=O)[C@@H]1COC(=O)N1 1104544617 HPHXVNBMZYYYKH-WPRPVWTQSA-N 304.310 -0.285 30 20 DBED C#CCNCc1cn(C2CN(C(=O)C3CC(OC)C3)C2)nn1 1105266045 NFVDSJPAKPNQFN-UHFFFAOYSA-N 303.366 -0.191 30 20 DBED CC(=O)N[C@@H](C)C(=O)N(C)CCN(C)c1ccc(C#N)nn1 1105319408 LMSRVMHXJDMEMQ-JTQLQIEISA-N 304.354 -0.233 30 20 DBED CN1C[C@@H](C(=O)N(C)CCN(C)c2nccnc2C#N)CC1=O 1105584890 QBIGANQUBWMXLQ-NSHDSACASA-N 316.365 -0.279 30 20 DBED N#Cc1cncc(NC[C@@H](O)CNC(=O)Cc2cccnc2)n1 1105819580 GJXXEWMTOCZZSH-CYBMUJFWSA-N 312.333 -0.125 30 20 DBED CO[C@@H](C(=O)NC[C@@H](O)CN=c1cc[nH]cc1C#N)C(C)C 1106092830 NZAOEVFREJRDLK-GXTWGEPZSA-N 306.366 -0.065 30 20 DBED CN(C)CC1(C(=O)NC[C@@H](O)CNc2ccc(C#N)nn2)CC1 1106099546 CQXGNLOJOSQJHL-LBPRGKRZSA-N 318.381 -0.421 30 20 DBED CCN(CCN=c1cc[nH]cc1C#N)C(=O)CCn1cnnn1 1106817690 FGFOABFILNWPNU-UHFFFAOYSA-N 314.353 -0.288 30 20 DBED C[C@@H]1CN(C(=O)CN2CCCC2)C[C@H]1CNCC(=O)NCC#N 1106984325 JDXCVNFPGDCWMZ-ZIAGYGMSSA-N 321.425 -0.594 30 20 DBED Cc1cc(=NC[C@@H](C)NC(=O)[C@H]2CN(C)CCO2)c(C#N)c[nH]1 1107666746 GRDPDNGLMRDKKI-IUODEOHRSA-N 317.393 -0.069 30 20 DBED C[C@H](CNc1ccc(C#N)nn1)NC(=O)C[C@H]1CCC(=O)N1 1107839373 YKOAESLZVGLSIB-NXEZZACHSA-N 302.338 -0.066 30 20 DBED C#CCCN1CCO[C@@](C)(CNC(=O)[C@@H](C)S(C)(=O)=O)C1 1108027132 NKZGGGUZLDLXBR-OCCSQVGLSA-N 316.423 -0.350 30 20 DBED C[C@H](CNc1ccc(C#N)nc1)NC(=O)CN1CCNC(=O)C1 1108062229 QVRLGYMKOYIQQJ-LLVKDONJSA-N 316.365 -0.698 30 20 DBED COCC(=O)N[C@H](C)C(=O)N[C@H](C)CNc1cncc(C#N)n1 1108174277 QTWKTMJXQRGINO-NXEZZACHSA-N 320.353 -0.584 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)CNC(=O)C(C)(C)C)C1 1108393357 OIENDGDEQYLSAE-MRXNPFEDSA-N 309.410 -0.011 30 20 DBED C#CCCN1CCO[C@](C)(CNC(=O)[C@H](C)N2CCOCC2)C1 1108446601 DQQARDORAULVQK-DOTOQJQBSA-N 323.437 -0.063 30 20 DBED C[C@H](CN(C)c1ccnc(C#N)n1)NC(=O)CCNC(N)=O 1108961837 OFYBSRVHXWAEMT-SECBINFHSA-N 305.342 -0.652 30 20 DBED C#CCOCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)COC 1109270928 XUBWWWAJFGEIQO-QPSCCSFWSA-N 310.394 -0.245 30 20 DBED C[C@@H](CN(C)c1cnc(C#N)cn1)NC(=O)[C@H]1CCC(=O)NC1 1109304510 CIQMVGICVVDJFB-QWRGUYRKSA-N 316.365 -0.185 30 20 DBED Cn1cncc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1109490082 CZHCPSFWOHVOMN-WOPDTQHZSA-N 316.365 -0.605 30 20 DBED CN(CCCNc1ccc(C#N)nn1)C(=O)C1CS(=O)(=O)C1 1109531764 VLWHUMDIMGCBBS-UHFFFAOYSA-N 323.378 -0.347 30 20 DBED CN(C)C(=O)CC(=O)N[C@H]1[C@H]2C[C@H]1N(c1nccnc1C#N)C2 1109743666 YMCLYSAUHNDPEJ-PXWWUCIGSA-N 314.349 -0.480 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cc1cnc[nH]1 1109762097 ICQIZDAOSBQTCM-RDBSUJKOSA-N 315.377 -0.577 30 20 DBED N#Cc1ccc(NC[C@H](NC(=O)[C@H]2CNC(=O)N2)C2CC2)nc1 1109960263 LDLRXGQTFCCYHO-NWDGAFQWSA-N 314.349 -0.059 30 20 DBED N#Cc1nccc(NC2(CNC(=O)C(=O)NCC(F)F)CC2)n1 1110276190 RFSHFCINHNJDJH-UHFFFAOYSA-N 324.291 -0.210 30 20 DBED CC(=O)NCC(=O)NC[C@@]1(O)CCN(c2ncccc2C#N)C1 1111037387 AKHXSGAUPWEIEG-HNNXBMFYSA-N 317.349 -0.853 30 20 DBED N#Cc1nccnc1N1CC[C@@](O)(CNC(=O)c2ccon2)C1 1111052361 PIIHEYTWRKOTOE-CQSZACIVSA-N 314.305 -0.293 30 20 DBED N#Cc1cccnc1N1CCC[C@](CO)(NC(=O)CC(N)=O)C1 1111346513 MQJCMZSQYSEWJL-HNNXBMFYSA-N 317.349 -0.724 30 20 DBED O=C(C#CC1CC1)N(CCO)CCNc1nc[nH]c2ncnc1-2 1111463644 FJGJBUYDHPLFBV-UHFFFAOYSA-N 314.349 -0.049 30 20 DBED CO[C@@H](C)C(=O)NC1(CO)CCN(c2nccnc2C#N)CC1 1112651163 CYNOUZLNNFUVEW-NSHDSACASA-N 319.365 -0.169 30 20 DBED C=CCCC(=O)N1CCN(CC(=O)N2CCNC(=O)C2)CC1 1112687769 RPQBNJIHOACLKP-UHFFFAOYSA-N 308.382 -0.945 30 20 DBED C[C@H](NC(=O)CN1CCCC1=O)[C@@H](C)N=c1cc[nH]c(C#N)n1 1112905969 UNEPNNQQGUIKNG-MNOVXSKESA-N 316.365 -0.302 30 20 DBED C[C@H](CNC(=O)[C@H]1CCNC(=O)C1)N(C)c1cnc(C#N)cn1 1113575599 ZEJAPYUYTXYYAN-MNOVXSKESA-N 316.365 -0.185 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CC(=O)N(C)C1)N(C)c1ccnc(C#N)n1 1113943996 SGWMLIFMDJDVHU-WDEREUQCSA-N 316.365 -0.233 30 20 DBED COCC#CCN1C[C@@H]2C(NC(=O)CCc3nc[nH]n3)[C@H]2C1 1114120473 RZIFYNZSJHOJIY-RYUDHWBXSA-N 303.366 -0.567 30 20 DBED C#CCC1(C(=O)NC2[C@H]3CN(Cc4nnn(C)n4)C[C@H]23)CCC1 1114397221 JIKYYSBFTLKQRL-RYUDHWBXSA-N 314.393 -0.050 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)c3cn(CC)cn3)[C@@H]2C1 1115128820 SZHCANUYKGLHAA-VXGBXAGGSA-N 317.393 -0.135 30 20 DBED COCC#CCN1C[C@@H]2C(NC(=O)[C@H](C)N3CCOCC3)[C@H]2C1 1115357227 YIIVDMWHSDQGIZ-KKUMJFAQSA-N 321.421 -0.597 30 20 DBED N#CC1(NC(=O)CN2CCN(CC(=O)NC3CC3)CC2)CCC1 1117299013 IUVBLTSWPIVTMP-UHFFFAOYSA-N 319.409 -0.555 30 20 DBED Cc1nc(N[C@H](CO)CNC(=O)Cn2cncn2)ccc1C#N 1121537473 YGBPGAFWCCVAGH-LBPRGKRZSA-N 315.337 -0.558 30 20 DBED CC(C)[C@H](C(=O)NC[C@H](CO)Nc1nccnc1C#N)N(C)C 1121840324 RMYCCRGVSNNHEY-DGCLKSJQSA-N 320.397 -0.177 30 20 DBED N#Cc1c(F)cccc1N[C@@H](CO)CNC(=O)Cn1ncnn1 1122077708 LQZBBSQFLZYNRB-SECBINFHSA-N 319.300 -0.727 30 20 DBED N#Cc1cncc(N[C@@H](CO)CNC(=O)Cc2cnc[nH]2)n1 1122620283 DDQDGPOSMILOGH-LLVKDONJSA-N 301.310 -0.797 30 20 DBED C=CCn1cc(C(=O)NC[C@@H](CO)Nc2nccnc2F)nn1 1122673860 OPPFPYKVOXDSOE-VIFPVBQESA-N 321.316 -0.404 30 20 DBED CC(=O)N(C)CC(=O)N(C)C[C@@H](O)CNc1ncccc1C#N 1124112221 SSFNFCBMNFWBEE-ZDUSSCGKSA-N 319.365 -0.337 30 20 DBED CC[C@H](C(=O)N(C)C[C@@H](O)CNc1nccnc1C#N)N(C)C 1124453366 AGBDEPOSMSOYCP-WCQYABFASA-N 320.397 -0.080 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)C[C@@H]2COC(=O)C2)C1=O 1125687692 HMFYAYVNVQYBAN-RYUDHWBXSA-N 309.366 -0.568 30 20 DBED CCOCC(=O)NCCN(CCOC)c1cncc(C#N)n1 1126187709 VJYIXIBLIAOASX-UHFFFAOYSA-N 307.354 -0.046 30 20 DBED COCCN(CCNC(=O)[C@H]1CCOC1)c1ccnc(C#N)n1 1126247373 RIYJIQUWFVDJSU-LBPRGKRZSA-N 319.365 -0.046 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)c2cnn(CC)n2)C1=O 1126707245 WIHDJMQMTABMFQ-NSHDSACASA-N 306.370 -0.596 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)c2ccc(C)nn2)C1=O 1126932482 ZHFIKJKQZMDFJE-ZDUSSCGKSA-N 303.366 -0.109 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@@H](C)NC(=O)C1CCCC1 1127972788 DNTOYAWKBREZHD-GFCCVEGCSA-N 324.425 -0.311 30 20 DBED CC#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H](CC)N(C)C)C1 1129071477 CRNSLZHRUUHSAR-KFWWJZLASA-N 318.425 -0.017 30 20 DBED C=CCN[C@@H]1CN(C(=O)COCCOCC)C[C@@H]1n1ccnn1 1130139860 KEFJIWKZACBOAM-KGLIPLIRSA-N 323.397 -0.141 30 20 DBED C#CCN1C[C@@H](OC)C[C@H]1c1n[nH]c(CNC(=O)[C@@H](C)C#N)n1 1130258659 WSWWLKWSCSKWRK-SRVKXCTJSA-N 316.365 -0.024 30 20 DBED C=CCOCC(=O)N1C[C@@H](NC[C@@H](C)O)[C@H](c2cn(C)cn2)C1 1130542857 MZLYEWXEUCCJNA-VNHYZAJKSA-N 322.409 -0.113 30 20 DBED C=CCOCCNCCNC(=O)[C@]12C[C@H]3C[C@@H](C(=O)N1)[C@H]2C3 1130584774 MDUCLVRNKFVSFQ-VPWBDBDCSA-N 307.394 -0.191 30 20 DBED C#CCN[C@@H]1CN(C(=O)CCOCC#C)C[C@H]1c1cncn1C 1130988726 LCFBPYRRYLAXHE-HUUCEWRRSA-N 314.389 -0.023 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)c1ccnc(OC)n1 1131193681 YXOZWHAQPWNBFM-SNVBAGLBSA-N 307.354 -0.505 30 20 DBED CC#CCCCC(=O)N1CCC(=O)NCCN(CCO)CC1 1131377305 SMXKGYCICWYLPG-UHFFFAOYSA-N 309.410 -0.177 30 20 DBED COCC[C@@H](C)C(=O)N1CCC(=O)NCCN(CC#N)CC1 1131394929 LPJAERIMXQJNBA-CYBMUJFWSA-N 310.398 -0.167 30 20 DBED CC(C)C(=O)N1C[C@H](C)O[C@@]2(CCN(CC(=O)NCC#N)C2)C1 1131628656 IKVNIHLCICTSNI-XJKSGUPXSA-N 322.409 -0.026 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CCNC(=O)CC1 1131848730 YSQSWXCJUIGCOI-RYUDHWBXSA-N 310.398 -0.701 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)Cn2cncn2)CC[C@H]1C 1132462996 AXHKNRBUUXGART-OLZOCXBDSA-N 320.397 -0.451 30 20 DBED C=CCNC[C@@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)CC[C@H]1C 1132844031 URKDQBSNWNZWFD-VXGBXAGGSA-N 320.397 -0.363 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)Cc1ccon1 1133987007 CBDZEYSYXGNTAA-VXGBXAGGSA-N 306.366 -0.161 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1ccc2nnc(O)n2c1 1135236997 APMBTNDXCVKHDZ-UHFFFAOYSA-N 318.337 -0.944 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CCCCN(C)C1=O 1147639239 OTPXVPJLWVCEJD-OLZOCXBDSA-N 322.409 -0.911 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H](C)OCCOCC 1152201492 DRMAAJXAOOXLFU-CHWSQXEVSA-N 313.398 -0.728 30 20 DBED CCN(CC#CCOC)[C@H](C)CNC(=O)Cn1ncn(C)c1=O 1154102557 ATZWNFPSEAUJJA-CYBMUJFWSA-N 323.397 -0.942 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)CCc1ccnn1C 1159128873 DWKMHZSPBDYGNU-ZDUSSCGKSA-N 319.409 -0.414 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)c2cncn2C)C1=O 1161919550 ZCEVZUJAVGHEEK-GFCCVEGCSA-N 305.382 -0.084 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@H]1CC(=O)N(CCC)C1 1167425172 MPWNXAGKHJUFTG-ZDUSSCGKSA-N 322.409 -0.910 30 20 DBED C=CCNC(=O)CNCCCNC(=O)COc1cccnc1 1168442174 NKTZLKUSRXCODP-UHFFFAOYSA-N 306.366 -0.142 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)[C@H]1CCN(C(C)=O)C1 1174851429 RDHPOTNMNIKWGR-JSGCOSHPSA-N 324.425 -0.359 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)[C@@H]1CCN(C(C)=O)C1 1174851689 YEGGYWNWUZZLMH-TZMCWYRMSA-N 322.409 -0.911 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)Cc2cnc(C)o2)[C@H]1C 1178877697 GCQKISQIPVWDAF-FZMZJTMJSA-N 318.377 -0.146 30 20 DBED N#CCNCCCCCCNC(=O)CC[C@@H]1NC(=O)NC1=O 1180223961 OCGABSLQQMMAJZ-NSHDSACASA-N 309.370 -0.236 30 20 DBED C=CCNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)c2cn[nH]c2)C1 1181160303 KSMZRISMNHYMGR-LLVKDONJSA-N 320.353 -0.774 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)C[C@H]2CCNC2=O)C1 1183222099 HIVQTODYUHHLNZ-VXGBXAGGSA-N 308.382 -0.995 30 20 DBED Cc1ccn(CC(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)n1 1185716540 YCOQUNQFOJVCRH-GFCCVEGCSA-N 304.354 -0.978 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1C[C@@H]2CCN(C(C)=O)[C@@H]2C1 1186620787 NAOWJEHJDHFKHN-WCFLWFBJSA-N 308.382 -0.061 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@H]1O 1190709564 QWFIEZCMSFQGER-HUUCEWRRSA-N 316.361 -0.644 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)c2cc(C)n(C)n2)C1 1191377295 WGYVOAOJFUOVDE-ZIAGYGMSSA-N 308.382 -0.294 30 20 DBED Cc1cscc1C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1O 1192046035 NGLFBCFPZSBPTI-VXGBXAGGSA-N 322.390 -0.529 30 20 DBED C#CCN(C)[C@@H]1CCN(C(=O)CCCN2C(=O)CNC2=O)C1 1193930299 KNYWWFKTSKHBHZ-GFCCVEGCSA-N 306.366 -0.516 30 20 DBED C#CCNC(=O)CC(=O)N1CCCN(Cc2nc(C)no2)CC1 1195536110 ULDPZMUXABXLJB-UHFFFAOYSA-N 319.365 -0.448 30 20 DBED Cn1ccc(CC(=O)N2CCCN(CC(=O)NCC#N)CC2)n1 1195771104 XNTDKVZHSTVZKQ-UHFFFAOYSA-N 318.381 -0.863 30 20 DBED C=CCCCN1C[C@@H](O)[C@H](NC(=O)C2(C(=O)N(C)C)CC2)C1 1197681446 MUVFNYJYTCWLPU-CHWSQXEVSA-N 309.410 -0.018 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)[C@H]2C[C@H]3CC[C@H]2O3)CC1 1199859553 LDDHKYSWIVLSBM-QLFBSQMISA-N 319.405 -0.116 30 20 DBED N#CCNC[C@@H]1CN(C(=O)[C@H]2CCNC(=O)CC2)CCCO1 1201080934 TVDAOQOKKKVPJY-CHWSQXEVSA-N 308.382 -0.367 30 20 DBED CCS(=O)(=O)CC(=O)N1CCCO[C@H](CNCC#N)C1 1202155278 XMBICZPUBJRRRV-LLVKDONJSA-N 303.384 -0.848 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)C=C(C)C)[C@H](OC)C1 1211795196 CKFMVIBQWGGYPW-BFHYXJOUSA-N 307.394 -0.094 30 20 DBED CO[C@@H]1CN(Cc2ncnn2C)C[C@H]1NC(=O)CSCC#N 1211891164 GHSSLTWKYKPYBY-GHMZBOCLSA-N 324.410 -0.613 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(CC(=O)NC2CC2)C[C@H]1OC 1212258542 VMWUBWIGHJWJJD-IACUBPJLSA-N 323.393 -0.881 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)CNC(=O)c1cccnc1 1213474367 CALCMMPTFPBCCT-CHWSQXEVSA-N 317.349 -0.850 30 20 DBED CCn1ccc(CN2C[C@H](O)[C@H](NC(=O)CSCC#N)C2)n1 1219217761 AIWCJULIWWXRJS-OLZOCXBDSA-N 323.422 -0.179 30 20 DBED C=CCCC(=O)N[C@@H]1CN(Cc2nc(N(C)C)no2)C[C@@H]1O 1219332967 NFGPEVPBSOVYBQ-MNOVXSKESA-N 309.370 -0.237 30 20 DBED C#CCCCC(=O)N[C@@H]1CN([C@@H]2CCN(CC=C)C2=O)C[C@@H]1O 1219539426 KMKRTHWFZUEGFQ-KFWWJZLASA-N 319.405 -0.262 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)c2n[nH]cc2C)C1 1219576419 NRWSAGWRNPQMGU-UTUOFQBUSA-N 321.381 -0.816 30 20 DBED CCn1ccc(CC(=O)N[C@@H]2CN(CC#CCOC)C[C@@H]2O)n1 1219660485 AQVUOSYCIZCDGT-CABCVRRESA-N 320.393 -0.743 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)[C@@H]2C[C@@H]3C[C@@H]3C2)C1 1220199541 RJTPNCAWNOSEJW-YRKSKIDTSA-N 321.421 -0.116 30 20 DBED N#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@]23CCCC[C@@H]2C3)C1 1220308486 DRWIXSGRLGGYAK-NFFDBFGFSA-N 320.393 -0.632 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)CCCNC(=O)c2ccco2)C1 1220957908 PSWPHZHZPIVLHZ-NEPJUHHUSA-N 320.349 -0.526 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(Cc2ncnn2C)C[C@@H]1O 1221139667 IRLUVSDAZLLCSI-NEPJUHHUSA-N 309.370 -0.931 30 20 DBED CC#CCN1CC[C@@H]2CN(C(=O)CCCS(N)(=O)=O)[C@@H]2C1 1221778246 BIBVTRQLWWKBAJ-CHWSQXEVSA-N 313.423 -0.389 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)[C@@H](C)CCOC)[C@@H]2C1 1222032950 BVRBUJIAMZBFKA-RRFJBIMHSA-N 321.421 -0.059 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)CCn2ccnc2)CC1 1228534942 PUJQCMUFQQNWHE-UHFFFAOYSA-N 317.393 -0.397 30 20 DBED CC#CCN1CCC(NC(=O)COCc2ncnn2C)CC1 1229832698 QTPPVTAYLUNYMN-UHFFFAOYSA-N 305.382 -0.064 30 20 DBED C#CCCN1CCC(NC(=O)CC[C@H]2NC(=O)NC2=O)CC1 1230226352 JLFRPRRVCQUKEX-GFCCVEGCSA-N 306.366 -0.422 30 20 DBED N#CCN1CCOC[C@H]1CNC(=O)CCCCc1cnn[nH]1 1280412261 JNYZTJLENLWLLZ-CYBMUJFWSA-N 306.370 -0.142 30 20 DBED CNC(=O)CNC(=S)NN=Cc1ccc(C(=O)N(C)C)[nH]1 1319043648 MDGGEPUMKKGOEL-UHFFFAOYSA-N 310.383 -0.740 30 20 DBED C[C@H]1CN(CC(=O)NCCC#N)CC[C@@H]1N1CCN(C)CC1 1319855305 BPRCRJCTVXFGHH-GJZGRUSLSA-N 307.442 -0.026 30 20 DBED CC(=O)N1CCC(NC(=O)C(=O)N2CC[C@](F)(C#N)C2)CC1 1321369636 FCVCIUPROYBZDG-AWEZNQCLSA-N 310.329 -0.422 30 20 DBED C#CCN(C)C(=O)C(=O)Nc1ccccc1OCCC(N)=O 1322755668 GMXFUDAHKWKDDF-UHFFFAOYSA-N 303.318 -0.029 30 20 DBED CNC(=O)CCN(C)C(=O)C(=O)Nc1cc(C)c(C#N)cn1 1326782616 SMILZRJCCGMGMG-UHFFFAOYSA-N 303.322 -0.205 30 20 DBED C#C[C@H](NC(=O)C(=O)NC[C@H](C)CC(=O)OCC)[C@H]1CCCO1 1327383747 SEMZGEGFSNZUHW-FRRDWIJNSA-N 324.377 -0.011 30 20 DBED C#CCN(C)C(=O)C(=O)N1CCC([C@H](O)c2ccnn2C)CC1 1328554900 ICEYRFSCMXSXMS-AWEZNQCLSA-N 318.377 -0.216 30 20 DBED N#CC1(NC(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)CC1 1329698320 NWOGLMOQUKKJGF-LSKIRQOJSA-N 303.318 -0.289 30 20 DBED C=CCN(C(=O)C(=O)NCC[S@@](=O)CC)[C@@H](C)COC 1330446105 APZYBNMIMYOSLA-YBTHPKLGSA-N 304.412 -0.079 30 20 DBED C=CCn1c([C@H]2CC(=O)N(C)C2)nnc1N1CCN(C)C(=O)C1 1338125845 XTWSVLJVFNGJAM-NSHDSACASA-N 318.381 -0.312 30 20 DBED C=CC[C@@H](NS(=O)(=O)[C@@H](C)C(=O)N(C)C)C(=O)OCC 1339289008 UDPPDNRLWPABCZ-VHSXEESVSA-N 306.384 -0.110 30 20 DBED N#Cc1cn(CCNC(=O)OC2CCOCC2)c(=O)nc1O 1364886501 ARLJHCIFLNMXCH-UHFFFAOYSA-N 308.294 -0.274 30 20 DBED C[C@H](C#N)C(=O)N1CCC(O)(CNCc2cn(C)nn2)CC1 1368679288 QSQDIYZYUQZEAO-LLVKDONJSA-N 306.370 -0.582 30 20 DBED CCN1C[C@H](C(=O)N2CC(CNC(=O)[C@@H](C)C#N)C2)CC1=O 1374901206 ZGKAOTJYYCCOHL-CMPLNLGQSA-N 306.366 -0.411 30 20 DBED C[C@@H](C#N)C(=O)NC[C@]1(C)CCN(C(=O)Cn2cnnn2)C1 1379799777 GVHPSSQWUIQYBU-GWCFXTLKSA-N 305.342 -0.812 30 20 DBED C[C@@H](C#N)C(=O)N1CC([C@@H](C)NC(=O)CCN2CCOCC2)C1 1383296641 OBXXHMRRCNRCPL-QWHCGFSZSA-N 322.409 -0.169 30 20 DBED CCn1nncc1C(=O)N(CCNC(=O)[C@H](C)C#N)CCOC 1383332096 SJCWLXKYHRPCSI-LLVKDONJSA-N 322.369 -0.338 30 20 DBED CC(=O)N[C@@H](C)C(=O)N[C@@H](C)CNC(=O)c1cc(C#N)c[nH]1 1386717161 WAFRPYRLIFYJGG-IUCAKERBSA-N 305.338 -0.355 30 20 DBED COc1ccc(C(=O)N2CC(CNC(=O)[C@H](C)C#N)C2)nn1 1387924679 HJZVCYVUYNMEGI-SECBINFHSA-N 303.322 -0.167 30 20 DBED C[C@H](C#N)C(=O)NCC1CN(C(=O)[C@@H]2CCN(C)C(=O)C2)C1 1398817578 XHLVMZKCOGWPOR-ZYHUDNBSSA-N 306.366 -0.411 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1cc(C2CC2)[nH]n1 1399877713 VZVVAFHIKYAMBW-PSASIEDQSA-N 305.338 -0.346 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CNC(=O)CS(C)(=O)=O)CC1 1407367945 SIPCJXWURAIBLY-SNVBAGLBSA-N 315.395 -0.455 30 20 DBED COC(=O)NCC(=O)N[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 1407460707 GYHNSRMTQRIWMW-SNVBAGLBSA-N 319.321 -0.427 30 20 DBED CCC(=O)NCC(=O)NC[C@H]1CCN1C(=O)c1cc(C#N)c[nH]1 1410523553 BGGKDFZVEKBVOE-LLVKDONJSA-N 317.349 -0.257 30 20 DBED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CC[C@H]2CO)cc1 1412709478 RFNVGIPFYDZUFP-NSHDSACASA-N 309.347 -0.570 30 20 DBED CN(C[C@H](O)c1cccnc1)c1c(C#N)c(=O)n(C)c(=O)n1C 1421240385 CFEZEIQCCDZSBT-LBPRGKRZSA-N 315.333 -0.480 30 20 DBED COC(=O)C1(C#N)CCN(C[C@H](O)C[C@]2(O)CCOC2)CC1 1421808348 ICYWDKWMNVFXTG-IUODEOHRSA-N 312.366 -0.332 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNCC(=O)NCc1cccs1 1422266997 QLALQOCZCJSFGM-WDEREUQCSA-N 324.406 -0.409 30 20 DBED C[C@H](CCNC(=O)c1cnnn1C)NC(=O)c1ccc(C#N)[nH]1 1429018578 CVLJKBPGYZPDJF-SECBINFHSA-N 315.337 -0.047 30 20 DBED CC(=O)NCC(=O)NCC1(NC(=O)c2c[nH]c(C#N)c2)CC1 1432125489 HFTZIOQIAABBJA-UHFFFAOYSA-N 303.322 -0.599 30 20 DBED C[C@H](C#N)C(=O)NCC1CCN(C(=O)CN2CCOCC2)CC1 1446802948 YOJOPYPQEDHJFV-CYBMUJFWSA-N 322.409 -0.167 30 20 DBED C[C@H](CNC(=O)c1cnnn1C)NC(=O)c1ccc(C#N)[nH]1 1454605839 FGDAYKMRSNNOEN-MRVPVSSYSA-N 301.310 -0.437 30 20 DBED CN(CCNC(=O)Cc1nc[nH]n1)C(=O)c1cc(C#N)c[nH]1 1455482177 LVJBGZMQCAATHU-UHFFFAOYSA-N 301.310 -0.565 30 20 DBED Cn1c(=O)[nH]c(N2CCC[C@@H]2C(=O)NC2CC2)c(C#N)c1=O 1472657053 XFUKUCXWNHJFFH-SNVBAGLBSA-N 303.322 -0.807 30 20 DBED CN(CCNC(=O)[C@H]1CCCC(=O)N1)C(=O)c1c[nH]c(C#N)c1 1496160552 SSUYUYUOCOCSBR-GFCCVEGCSA-N 317.349 -0.257 30 20 DBED C[C@@H]1CC(=NC(=O)c2nn(C)cc2CN2CC[C@@H](O)C2)NO1 1552720781 HIENOUGKYCKONY-MWLCHTKSSA-N 307.354 -0.161 30 20 DBED C#Cc1cncc(C(=O)N[C@@H](C)[C@H](C)NC(=O)CNC(=O)O)c1 1573313170 DNPUMTGGAINZKS-UWVGGRQHSA-N 318.333 -0.047 30 20 DBED C=C(Br)CNCCN(CCO)C(=O)CNC(=O)O 1573321338 LKJLYFSCZUESEC-UHFFFAOYSA-N 324.175 -0.427 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(c2cncc(-c3nn[nH]n3)n2)CC1 1573571019 WXFGZEQLBRNIDK-VIFPVBQESA-N 313.325 -0.535 30 20 DBED C[C@@]1(C(=O)O)CN(S(=O)(=O)c2ccc(C#N)nc2)CCO1 1573606790 XDTOQCJOZVBCIG-LBPRGKRZSA-N 311.319 -0.183 30 20 DBED Cc1cc(C#N)cnc1C(=O)N[C@@H]1CN(C(=O)O)C[C@@H]1CO 1574128029 RYSHQZCGGHEYIQ-GHMZBOCLSA-N 304.306 -0.038 30 20 DBED C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1CC1CNC1 1574622994 XRDIVGJJNIVBQD-UHFFFAOYSA-N 309.377 -0.029 30 20 DBED C[C@@H](CN1CCOCC1)Nc1cnc(-c2nn[nH]n2)c(C#N)n1 1574831293 KYNVLYDDVPOIGY-VIFPVBQESA-N 315.341 -0.339 30 20 DBED CC(C)CNC(=O)NC(=O)Cn1cnc(-c2nn[nH]n2)c1C#N 1589635028 SBHBZPPSGPVHJM-UHFFFAOYSA-N 317.313 -0.583 30 20 DBED CN1CC[C@H](CC(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[nH]2)C1 1591176307 NNQNLBXTEIZSBS-SSDOTTSWSA-N 301.314 -0.258 30 20 DBED CC[C@]1(C)NC(=O)N(CC(=O)N(CC#N)CCC(=O)O)C1=O 1595371441 DPTQWULBPPHSAB-ZDUSSCGKSA-N 310.310 -0.466 30 20 DBED N#CCNC(=O)CNS(=O)(=O)[C@@H]1CCCC[C@H]1C(=O)O 1601074648 KOISFNGHFZJJTK-RKDXNWHRSA-N 303.340 -0.811 30 20 DBED O=C(O)CN1CC[C@H](OC(=O)c2cccc(C#CCO)c2)C1=O 1606247051 CVNQKFPQMCHTPF-ZDUSSCGKSA-N 317.297 -0.127 30 20 DBED COC(=O)C1CCN(C(=O)CN(CC#N)CCC(=O)O)CC1 1606403161 IYAQWVJVQMJBEC-UHFFFAOYSA-N 311.338 -0.302 30 20 DBED N#Cc1nc(C(=O)O)ccc1N1CC[C@@H](CS(N)(=O)=O)C1 1608223798 JNOUHSUUUCHVGJ-MRVPVSSYSA-N 310.335 -0.234 30 20 DBED COC(=O)[C@@H](CC(=O)O)NS(=O)(=O)c1cccc(C#N)c1 1610152053 WHFTXAZDHSVDBZ-SNVBAGLBSA-N 312.303 -0.147 30 20 DBED COC[C@@H](C)CC(=O)N1CCC[C@@H]1CNCC(=O)NCC#N 1714353643 ZVVHKTVRIMAFLB-QWHCGFSZSA-N 310.398 -0.121 30 20 DBED C=CCNC(=O)CN1CCC[C@@H](CNC(=O)c2[nH]nnc2C)C1 1752785202 RCHVSQBIJZEFBD-LBPRGKRZSA-N 320.397 -0.143 30 20 DBED N#CCNC(=O)CN[C@H]1CCC[C@H](NC(=O)Cn2cccn2)C1 1752966235 UKMLIHMJSUHWRY-STQMWFEESA-N 318.381 -0.460 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC[C@H]1CNC(=O)CNC(=O)OC 1753099309 RMVMGDWVIIUWSP-NEPJUHHUSA-N 324.381 -0.939 30 20 DBED C#CCOCCC(=O)NC[C@H]1CCCN1Cc1cn(C)nn1 1753103172 PZBYLDRYJYZZQD-CQSZACIVSA-N 305.382 -0.064 30 20 DBED C#CCNC(=O)CN1CC[C@@H](CNC(=O)CC[C@@H](C)OC)C1 1753123089 RJMZBKAFWDMVES-KGLIPLIRSA-N 309.410 -0.011 30 20 DBED Cn1cnnc1COCC(=O)NCC1(NCC#N)CCCC1 1753670279 XCDCZVQSEMDYED-UHFFFAOYSA-N 306.370 -0.126 30 20 DBED C=CCNC(=O)[C@H](C)NC[C@H](C)NC(=O)c1c[nH]c(=O)cn1 1754281047 VDGFXMGAGGLKLO-UWVGGRQHSA-N 307.354 -0.832 30 20 DBED COc1cc(C(=O)N[C@H]2[C@H]3C[C@H]2N(CC(=O)NCC#N)C3)on1 1754424168 RNQGNHIATITTSD-RWEMILLDSA-N 319.321 -0.875 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)CCN(C)C)C[C@@H]1CC 1754470682 PCTPVWUNSJHEGI-LSDHHAIUSA-N 322.453 -0.096 30 20 DBED C#CCN(C(=O)c1cnns1)C1CCN([C@@H](C)C(N)=O)CC1 1754632730 ALRHTWIJNNOJMC-JTQLQIEISA-N 321.406 -0.048 30 20 DBED C#CCNC(=O)CN1CCOC[C@H]1CNC(=O)/C=C(\C)CC 1754964697 DSBTWWCXRVKOBH-KADHNRKRSA-N 307.394 -0.091 30 20 DBED COCC#CCNC1(CNC(=O)c2ccc(=O)n(C)n2)CCC1 1754992344 ZMQJPVBWLXBFIF-UHFFFAOYSA-N 318.377 -0.328 30 20 DBED COCC#CCN[C@]1(CO)CCCN(C(=O)Cn2cccn2)C1 1755081024 OKFCLCKOAQXPCW-MRXNPFEDSA-N 320.393 -0.524 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(CNC(=O)c3ccnnc3)[C@H]2C1 1755431749 LZDNGDOMMUYRNN-ZIAGYGMSSA-N 315.377 -0.314 30 20 DBED C#CCNC(=O)CNC[C@H](C1CC1)N(C)C(=O)c1ccncn1 1755568653 CEHMSHIETHAGGW-CQSZACIVSA-N 315.377 -0.334 30 20 DBED C#CCO[C@H](C)C(=O)N(C)[C@@H](C)CNC(=O)CN(C)C(C)=O 1756006297 PQVOKPUXNJXCKH-NWDGAFQWSA-N 311.382 -0.534 30 20 DBED C[C@H](C#N)C(=O)NCCCOCCNC(=O)[C@@H]1CCC(=O)NC1 1756399129 WIJRJXURMNOCIS-VXGBXAGGSA-N 324.381 -0.689 30 20 DBED C[C@@H](CN(C)C(=O)C#CC(C)(C)C)NC(=O)Cn1cnnc1O 1756451453 ZCOUZAXONOEKCS-NSHDSACASA-N 321.381 -0.004 30 20 DBED C#Cc1cncc(C(=O)NC[C@@H](CO)NC(=O)[C@@H]2CCCO2)c1 1756548200 JSECEXJYCOBAGN-KBPBESRZSA-N 317.345 -0.551 30 20 DBED C#CCOCCC(=O)N1C[C@H](O)[C@H](NC(=O)[C@@]2(C)CCOC2)C1 1757203442 DQJFRLPLDIOHBR-WWGRRREGSA-N 324.377 -0.859 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)NC[C@@H]1CC(=O)N(C2CC2)C1 1771690399 VWKLMHFYYRKLGF-MNOVXSKESA-N 314.411 -0.077 30 20 DBED C[C@@H](CN1CCN(C)CC1)NC(=O)NCCn1cnc(C#N)n1 1771699035 CMEQOYVXFJQKKU-LBPRGKRZSA-N 320.401 -0.915 30 20 DBED CN(CC(=O)O)S(=O)(=O)CCOC1(C#N)CCOCC1 1777046842 CNLPDERMSGLECZ-UHFFFAOYSA-N 306.340 -0.578 30 20 DBED C[C@@H](CN)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC#N)C[C@@H]21 1786783639 QZCBFMZRSCDKSD-CYDGBPFRSA-N 308.382 -0.525 30 20 DBED CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)S)C2)C1 1835206667 RJZKIDAFRWJTFB-MFKMUULPSA-N 302.396 -0.219 30 20 DBED C=CCC(=O)N1CC2(CCCN2C(=O)C[C@@H](NC)C(=O)O)C1 1842954812 OOOBNYYUTUQRJU-LLVKDONJSA-N 309.366 -0.171 30 20 DBED CC(=O)N(C)[C@H](C)C(=O)N1CCCC12CN(C(=O)CC#N)C2 1843425107 KCAXOEMOCQUKLB-LLVKDONJSA-N 306.366 -0.030 30 20 DBED C#CCNS(=O)(=O)c1ccc(C(=O)Nc2nc[nH]n2)cc1 26259476 RFOYYOGFAGRYAE-UHFFFAOYSA-N 305.319 -0.032 30 20 DBED N#C[C@H]1COCCN1CC(=O)N1CCN(c2cnccn2)CC1 177120329 OEWXGLKDHXYCEO-ZDUSSCGKSA-N 316.365 -0.650 30 20 DBED CC(C)/N=C(/NCC(=O)N(C)C)N1CCN2C(=O)CC[C@H]2C1 262322912 SKKSLZBYUGTXCZ-LBPRGKRZSA-N 309.414 -0.265 30 20 DBED CN(C)C(=NCCS(=O)(=O)NC[C@H]1CCCCO1)N(C)C 262527038 LOFCRUUQERHBLS-GFCCVEGCSA-N 320.459 -0.046 30 20 DBED C=CCNC(=O)CNC(=O)N(C)[C@H](C)CS(=O)(=O)CC 271981483 JXLJMGUJFNXBEN-SNVBAGLBSA-N 305.400 -0.247 30 20 DBED CS(=O)(=O)N1CCC[C@@H]1C/N=C(/O)NC[C@@H](O)C1CC1 328762112 YNVOVYBBOAYXPI-GHMZBOCLSA-N 305.400 -0.315 30 20 DBED C[C@@H]1C[C@H](N2CCOCC2)CN1C(=O)Cn1cnc(C#N)n1 332209303 UIOAZNDKLXDMEN-NEPJUHHUSA-N 304.354 -0.529 30 20 DBED C=CCN1CC[C@H](N(C)CCC(=O)N(C)CC(=O)OC)C1=O 337225775 OTXYFUPOAWBSIV-LBPRGKRZSA-N 311.382 -0.273 30 20 DBED N#Cc1cccc(S(=O)(=O)N2CC[C@@H](S(N)(=O)=O)C2)c1 340351643 UNNJHKIAQMGGGJ-LLVKDONJSA-N 315.376 -0.390 30 20 DBED CCN(CCC#N)S(=O)(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1C 341959210 QJIWEECCVZGPPR-VHSXEESVSA-N 309.413 -0.511 30 20 DBED C=CCNC(=O)NC(=O)CN(CCC)[C@@H]1CCS(=O)(=O)C1 356054741 ZHPJTEGESQXZLV-LLVKDONJSA-N 317.411 -0.103 30 20 DBED N#C[C@]1(NC(=O)CNS(=O)(=O)c2cccs2)CCOC1 358454912 WYPLRDTWQOUXOS-LLVKDONJSA-N 315.376 -0.175 30 20 DBED CNC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(C#N)c(Cl)c1 358896037 XLBHSWMIHULZSE-SNVBAGLBSA-N 317.754 -0.403 30 20 DBED C=CCCN(C)C(=O)C(=O)N[C@@H]1CCOC[C@@H]1OCCOC 360198842 JKEVPEZOQDFPBE-OLZOCXBDSA-N 314.382 -0.042 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)NC[C@H]1CN2CCC[C@H]2CO1 374547575 CCBPLUPHIYNURN-AGIUHOORSA-N 316.427 -0.082 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1CCO[C@H](CF)C1 416573197 WHPMUNMAGAGVLV-LLVKDONJSA-N 309.363 -0.236 30 20 DBED CN(CC(=O)N[C@@H]1CC[C@H]1O)S(=O)(=O)c1ccc(C#N)cc1 425055496 DCCUMKHVSLGOSB-CHWSQXEVSA-N 323.374 -0.182 30 20 DBED C=C(C)CNC(=O)C(=O)Nc1cnn(CCN2CCOCC2)c1 427043832 JPCRZLFDOPIJLI-UHFFFAOYSA-N 321.381 -0.154 30 20 DBED C#C[C@@H](NC(=O)CNS(=O)(=O)c1cn(C)c(C)n1)C(C)C 490628335 HKINQZONETXLCH-LLVKDONJSA-N 312.395 -0.219 30 20 DBED C[C@@H]1CN(C(=O)NCC(=O)NCC#N)CCN([C@H]2C[C@@H]2C)C1 490969987 IQDDKCMVAVPKTF-AVGNSLFASA-N 307.398 -0.002 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2cn(C(C)C)nn2)CC1 491723627 CDTIHHLTDKHJGX-UHFFFAOYSA-N 318.381 -0.634 30 20 DBED COC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)CC1(CC#N)CC1 565235325 LXUVWSJFHHYDPI-UWVGGRQHSA-N 302.352 -0.382 30 20 DBED C[C@@H](CC(=O)O)N(CCO)S(=O)(=O)N(C)[C@H](C)CC#N 565953503 FEPRZIOSFQQNFN-ZJUUUORDSA-N 307.372 -0.377 30 20 DBED C=C(C)CS(=O)(=O)NC[C@H]1CCC[C@@]12NC(=O)NC2=O 577830120 YUVFYRGCJGWZRD-BXKDBHETSA-N 301.368 -0.140 30 20 DBED CN(Cc1cccc(C#N)c1)C(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 590420154 JNIPGVGOSMWRSB-RBSFLKMASA-N 302.330 -0.071 30 20 DBED N#CC1CN(C(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C1 590488384 QAUYFHXFUJMRAP-UHFFFAOYSA-N 308.319 -0.746 30 20 DBED CNS(=O)(=O)[C@H]1CCCN(S(=O)(=O)N(C)CCC#N)C1 609598304 DAXMIHOHYKBSRH-JTQLQIEISA-N 324.428 -0.910 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2CCCOC2)C1=O 671338282 FMEIJDXCCSGPOI-OLZOCXBDSA-N 323.393 -0.226 30 20 DBED NC(=O)COc1ccc(C=NNc2ccc(C(N)=O)nn2)cc1 756834810 FHTCWSDUKFXFSM-UHFFFAOYSA-N 314.305 -0.114 30 20 DBED C=CCN(CC(=O)OCC)c1c(C#N)c(=O)n(C)c(=O)n1C 759280974 ZAZIQVMEJDJPKG-UHFFFAOYSA-N 306.322 -0.489 30 20 DBED C=CCNC(=O)CNC(=O)C(=O)Nc1cc(CC(C)C)nn1C 777292481 WAQGVWXKGDFDOM-UHFFFAOYSA-N 321.381 -0.025 30 20 DBED CC(=O)N1CCC[C@H](C(=O)NS(=O)(=O)CC2(C#N)CC2)C1 793194945 BDKZERHDABSWNY-NSHDSACASA-N 313.379 -0.005 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](C)OCC)CC1 831555916 DEPZKGKVSREVFF-LLVKDONJSA-N 303.384 -0.977 30 20 DBED COC(=O)[C@H]1CN(C)CCN(S(=O)(=O)CC(C)(C)C#N)C1 916302893 OOZMRTYWRUPYBO-NSHDSACASA-N 317.411 -0.097 30 20 DBED CN(CCC#N)S(=O)(=O)NCCN1CCC2(C1)OCCO2 920103602 WKCNIDGWUNRAHS-UHFFFAOYSA-N 318.399 -0.885 30 20 DBED C=CCCOCC(=O)O[C@@H](C)C(=O)N[C@H]1CCS(=O)(=O)C1 920724521 FERAAHAJAWNLDR-QWRGUYRKSA-N 319.379 -0.186 30 20 DBED N#Cc1cc(C(=O)N2CC[C@H](NC(=O)[C@H]3COCCO3)C2)c[nH]1 937699316 NMMXSNPIGRPXAB-WCQYABFASA-N 318.333 -0.368 30 20 DBED Cc1cn(C)nc1C(=O)NC[C@H]1CN(C(=O)[C@@H](C)C#N)CCO1 944588939 MBLOPHSOTXPKEM-JQWIXIFHSA-N 319.365 -0.155 30 20 DBED Cc1nonc1C(=O)NC[C@H]1CN(C(=O)[C@H](C)C#N)CCO1 944654608 PPCLOPVHVQZJPB-SCZZXKLOSA-N 307.310 -0.505 30 20 DBED C[C@@H](NC(=O)c1c[nH]c(C#N)c1)[C@@H]1CCCN(C(=O)C(N)=O)C1 945671925 WVPAXXWNGQVAQG-NXEZZACHSA-N 317.349 -0.271 30 20 DBED Cn1ncc(C(=O)N2CCOC3(CCN(CC#N)CC3)C2)n1 949209671 OJJSQQWNEGZPCI-UHFFFAOYSA-N 304.354 -0.354 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2CCN2C(=O)Cn2nccn2)nc1 951378734 YCDKJWUEMAFPLE-ZDUSSCGKSA-N 324.344 -0.315 30 20 DBED C[C@@H](C#N)C(=O)N1CC(N(C)C(=O)Cn2ccccc2=O)C1 954254952 YYIIKYBCQYDGIE-NSHDSACASA-N 302.334 -0.323 30 20 DBED CN1CC[C@H](C(=O)N(C)C2CN(C(=O)C#CC3CC3)C2)C1=O 955044443 OHMOVDUVROFPHV-ZDUSSCGKSA-N 303.362 -0.453 30 20 DBED CC#CCN1C[C@H](CNC(=O)c2cc(OC)ncn2)[C@@H](O)C1 958072641 DHUIATDGBBUALI-AAEUAGOBSA-N 304.350 -0.469 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](CNC(=O)C2CS(=O)(=O)C2)C1 958095791 BUFZBILAKFSOMC-KOLCDFICSA-N 322.814 -0.808 30 20 DBED COCCn1ccc(C(=O)NC[C@H]2CN(CC#N)C[C@H]2O)n1 958255028 VCRWLKGCLQYCEK-WCQYABFASA-N 307.354 -0.924 30 20 DBED Cn1nc(C(=O)NC[C@@H]2CN(CC#N)C[C@H]2O)cc1C(F)F 958263036 MMDOSKVZKHGKTN-LDYMZIIASA-N 313.308 -0.096 30 20 DBED CC#CCN1C[C@H](O)[C@H](CNC(=O)c2nc3ncccn3n2)C1 958506396 DMSOOSVZCUJQEM-NEPJUHHUSA-N 314.349 -0.830 30 20 DBED COc1ncnc(OC)c1C(=O)NC[C@H]1CN(CC#N)C[C@H]1O 958758877 PTCRYXSTXXMLMV-VHSXEESVSA-N 321.337 -0.960 30 20 DBED Cn1nnc2cccc(C(=O)NC[C@H]3CN(CC#N)C[C@H]3O)c21 958764079 YTHHXKXTZIYJGA-GXFFZTMASA-N 314.349 -0.486 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)C[C@H]3CCNC3=O)C[C@@H]2C1 961698739 KBYGIBLPTXIESR-LPWJVIDDSA-N 318.377 -0.411 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2COCCN2C(=O)C2CC2)nn1 964197371 WYPKQTCPUIRUNG-LBPRGKRZSA-N 319.365 -0.169 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)c2c(F)cncc2F)C1 965272305 MRHIUKGLRJHAQZ-ONOSFVFSSA-N 324.287 -0.179 30 20 DBED C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1NC(=O)c1cnn[nH]1 966284072 CPIHQPHGULGZOA-PELKAZGASA-N 313.321 -0.105 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnn(C)n1 969386946 RYUVGPPQPIDWMK-MXWKQRLJSA-N 302.338 -0.210 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)c3cn(C)nc3OC)C2)C1 972494513 RMSGYXUXDHOIPU-INIZCTEOSA-N 318.377 -0.021 30 20 DBED C=C(C)CCN1CCO[C@@]2(CCN(C(=O)[C@H]3CNC(=O)N3)C2)C1 972527031 PPPPMAQYFLSYGK-CJNGLKHVSA-N 322.409 -0.063 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)c3cn(C)nn3)C[C@H]21 974976261 UJZKBXOXIVDWCA-CKYFFXLPSA-N 302.338 -0.352 30 20 DBED CN1CC(=O)N(CC(=O)N[C@@H]2CN(CC#N)CC2(C)C)C1=O 977565437 IJLIHYLNBRLNIV-SNVBAGLBSA-N 307.354 -0.769 30 20 DBED Cn1nc(C(=O)N2CC3(CCCN(CC#N)C3)C2)ccc1=O 982141243 VGBUJNYQMPQDBM-UHFFFAOYSA-N 301.350 -0.158 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](CNC(=O)c2c[nH]c(C(N)=O)c2)C1 983219687 CYYCVZLLERFKIJ-ZJUUUORDSA-N 317.349 -0.148 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC(NC(=O)CN3CCOCC3)C2)c1 990902699 HEEXYJBJLFTIJS-UHFFFAOYSA-N 317.349 -0.841 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCN(C(=O)CC)C[C@H]2O)nn1 991488620 KZALBNJUXOOFSJ-CMPLNLGQSA-N 307.354 -0.434 30 20 DBED C#Cc1cncc(C(=O)N2CC(NC(=O)[C@@H]3CCN(C)C3)C2)c1 991732352 UYNXNDKXFTTXAZ-CYBMUJFWSA-N 312.373 -0.045 30 20 DBED N#Cc1cc(C(=O)N2CC(NC(=O)[C@@H]3[C@H]4COC[C@H]43)C2)c[nH]1 997927814 XAAAIEHLGJMUMX-ITGUQSILSA-N 300.318 -0.281 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CCN(C)C2)C1 1000014453 WTUNCFLCERMEJR-YUTCNCBUSA-N 307.394 -0.144 30 20 DBED C[C@H](C#N)C(=O)N1CC(NC(=O)CN2CCCCCC2=O)C1 1000144379 MXMQJZHMXZGTSA-LLVKDONJSA-N 306.366 -0.124 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(CNC(=O)[C@H]2COCCO2)C1 1001018417 SFICISMLJZHORQ-HZSPNIEDSA-N 324.377 -0.433 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCCN(C(=O)[C@H]3CNC(=O)N3)C2)C1 1010829028 CTSCFXKYDWBXJH-GHMZBOCLSA-N 319.365 -0.722 30 20 DBED C#CCN1CCC2(CC1)C[C@H]2NC(=O)C[C@@H]1NC(=O)NC1=O 1016662701 BJMVVDIFYYPPMQ-WDEREUQCSA-N 304.350 -0.812 30 20 DBED Cn1nncc1C(=O)N1CCC2(CN(C(=O)C#CC3CC3)C2)C1 1019010150 GMFYQUREGGYSQU-UHFFFAOYSA-N 313.361 -0.097 30 20 DBED C=C(C)CN1CC[C@H](CNC(=O)[C@H]2CCS(=O)(=O)N2)C1 1028990629 NIJGOZILXRHRIP-VXGBXAGGSA-N 301.412 -0.308 30 20 DBED C=CCn1cc(C(=O)N2C[C@@H]3CC[C@H](C2)N3CC(N)=O)nn1 1029506270 IEHDKSPIVQYNQR-PHIMTYICSA-N 304.354 -0.762 30 20 DBED N#Cc1cc(C(=O)NC2CN(CCN3CCNC3=O)C2)c[nH]1 1030235360 VMYXOXCAPFQLQO-UHFFFAOYSA-N 302.338 -0.674 30 20 DBED CN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CCN(Cc2nnn(C)n2)C1 1033016708 CLVRIVADBPTEFR-LLVKDONJSA-N 314.353 -0.244 30 20 DBED C#CCN1CCO[C@H](CNC(=O)[C@H]2CCc3nncn3CC2)C1 1035445185 ACQLZCJMABRGHA-UONOGXRCSA-N 317.393 -0.319 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)[C@@H]2CN3CC4CC3(CO2)C4)C1 1035445792 GJTKSUUXVRXDDM-GWUWNPHMSA-N 319.405 -0.700 30 20 DBED C#CCCN1CCO[C@@H](CNC(=O)[C@H]2CCN(C(C)=O)C2)C1 1035593185 MQXSEPQWSXWUBZ-GJZGRUSLSA-N 307.394 -0.305 30 20 DBED C=C(C)CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)Cn1c(O)nnc1O 1037698982 JGUUSMZNORMLEW-SCVCMEIPSA-N 307.354 -0.156 30 20 DBED C#CCCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)C1CCN(C(N)=O)CC1 1037716168 VKWYUWCGEBQQNH-HZSPNIEDSA-N 304.394 -0.011 30 20 DBED CC#CCN1CC[C@@H]1CNC(=O)[C@H]1CCc2nnc(O)n2C1 1038422042 MWGUGSRUWVTZES-NWDGAFQWSA-N 303.366 -0.240 30 20 DBED C#CCN1CC[C@@H]1CNC(=O)[C@@H]1COCCN1CC(F)F 1038552066 GNCZMPQEICNXHN-NEPJUHHUSA-N 301.337 -0.224 30 20 DBED C=CCCn1cc(C(=O)NC[C@H]2CCN2[C@H]2CCNC2=O)nn1 1038789604 JQWAXDQJWPMPLK-YPMHNXCESA-N 318.381 -0.453 30 20 DBED C=CCCC(=O)N1CC[C@](O)(CNC(=O)[C@H]2CC(=O)N(C)C2)C1 1040089108 CGPBKVYXKOEHEQ-LRDDRELGSA-N 323.393 -0.490 30 20 DBED COc1nc(C(=O)NC[C@]2(O)CCN(C(=O)[C@@H](C)C#N)C2)co1 1040370246 ATCPICVGVNADCV-LKFCYVNXSA-N 322.321 -0.464 30 20 DBED C#CCN1CCC[C@@]2(CCN(C(=O)Cn3c(O)nnc3O)C2)C1 1040511559 YTZRKLFCKHJNOS-OAHLLOKOSA-N 319.365 -0.363 30 20 DBED Cc1cc(CC(=O)N2CC[C@@](O)(CNC(=O)[C@H](C)C#N)C2)no1 1040763450 OSSMBEOYHWCJQB-MEBBXXQBSA-N 320.349 -0.235 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)N1CC(O)(CNC(=O)C2CC2)C1 1041093205 APBBKPAHWZPIMH-ZDUSSCGKSA-N 323.393 -0.443 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)c3ccncn3)C2)nn1 1041130434 KXVVLXQEXZJZTR-VXGBXAGGSA-N 311.305 -0.882 30 20 DBED N#Cc1cnc(N2C[C@@H](O)[C@H](NC(=O)c3ccsn3)C2)cn1 1041206012 OAAMCDWJSUSKNX-GHMZBOCLSA-N 316.346 -0.216 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)Cn2ccc(C)n2)C1 1041962976 CNBVZZRZZPLFRN-UHFFFAOYSA-N 306.366 -0.153 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)[C@@H](C)n2cncn2)C1 1042643773 CEAOPRWJSHPTCN-LLVKDONJSA-N 307.354 -0.505 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)C2=CCOCC2)C1 1042802336 IIJHAMUXZQHKBG-UHFFFAOYSA-N 306.362 -0.174 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)c2nccc(C)n2)C1 1042803355 XJGZEERRCOOVIU-UHFFFAOYSA-N 316.361 -0.108 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)C2CCN(C)CC2)C1 1042937337 CUMWPYKEWFYGNZ-UHFFFAOYSA-N 321.421 -0.323 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)C2CCN(C)CC2)C1 1043709521 YJITTWYXGPRZDL-NSHDSACASA-N 308.382 -0.823 30 20 DBED Cc1ncc(C(=O)N[C@@H]2CN(c3ncccc3C#N)C[C@@H]2O)[nH]1 1043878620 YAGZFFWBEVXOCP-OLZOCXBDSA-N 312.333 -0.036 30 20 DBED Cc1cc[nH]c1C(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1043923272 JPBFGFLSHDVEDH-NEPJUHHUSA-N 312.333 -0.036 30 20 DBED CCc1cc(C(=O)NCC2(O)CN(C(=O)[C@H](C)C#N)C2)n(C)n1 1045258856 IOCSCBJDBHTAFU-SNVBAGLBSA-N 319.365 -0.555 30 20 DBED O=C(NCC1(O)CN(C(=O)C#CC2CC2)C1)[C@H]1C[C@@]12CCOC2 1046583568 GCJMQPRZUZLKSI-CZUORRHYSA-N 318.373 -0.484 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)[C@H]1CN([C@@H](C)COC)C[C@@H]1O 1047415321 SZSWLACWOKJMSA-VGWMRTNUSA-N 323.437 -0.378 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)CN2CCCCC2=O)C1 1047438752 RXRCFWZMBVDXAU-KBPBESRZSA-N 307.394 -0.474 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c(n2)OCCO3)C1 1047441594 JAEXLYOEJRYDAJ-STQMWFEESA-N 317.345 -0.397 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cnc(O)cc2OC)C1 1047529423 BBZYSHYEWDOIKF-STQMWFEESA-N 319.361 -0.064 30 20 DBED Cc1cc(C(=O)N(C)[C@H]2CN(CC#N)C[C@@H]2O)ncc1C(N)=O 1047535771 JPPSEKGLZONMQO-STQMWFEESA-N 317.349 -0.870 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCN(C)C2)C1 1048873454 GGWUSLGCPQOPEO-ILXRZTDVSA-N 321.421 -0.228 30 20 DBED C#CCN1C[C@H]2CN(C(=O)[C@H]3CCc4nnc(O)n4C3)C[C@H]2C1 1048898429 AVKJLBAQDPQFHN-RWMBFGLXSA-N 315.377 -0.431 30 20 DBED C=C(C)CCN1C[C@H]2CN(C(=O)Cn3ncn(C)c3=O)C[C@H]2C1 1048906888 RKQMLUDCTYXUMC-OKILXGFUSA-N 319.409 -0.062 30 20 DBED C#CCCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cnn[nH]2)C1 1049061976 SAPBWVGMOXBMQP-STQMWFEESA-N 319.365 -0.358 30 20 DBED C#CCCN1C[C@H]2CN(C(=O)[C@@H]3COCCN3C(C)=O)C[C@H]2C1 1049223286 MRUZRPHLAHEJMB-XHSDSOJGSA-N 319.405 -0.353 30 20 DBED N#CCN1C[C@@H]2CCCN(C(=O)CN3C(=O)CCC3=O)[C@@H]2C1 1050198769 ZVYDEGRGGMSJCV-NWDGAFQWSA-N 304.350 -0.418 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCN(Cc3nnnn3C)CC2)C1 1050463059 HVFYLKUHNUENJW-NSHDSACASA-N 303.370 -0.206 30 20 DBED C=CCN1CCC2(CC1)CN(C(=O)CN1C(=O)CNC1=O)C2 1050748298 MZKVEJRDFSUQAG-UHFFFAOYSA-N 306.366 -0.351 30 20 DBED C=CCN1CCOC[C@@H]1CNC(=O)[C@@H]1CCCN(C(N)=O)C1 1051017557 SGMFQRWCJBVUGE-OLZOCXBDSA-N 310.398 -0.220 30 20 DBED N#Cc1c[nH]c(C(=O)N2CCO[C@H](CN[C@H]3CCNC3=O)C2)c1 1051524994 YZTHAPMKSJBMPB-NEPJUHHUSA-N 317.349 -0.795 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)Cn2cnnn2)C[C@H]1C 1051921398 KSUUOYXLNWVNIJ-OLZOCXBDSA-N 318.381 -0.457 30 20 DBED C#CCN1CCC[C@@H](NC(=O)Cn2ccc(O)nc2=O)CC1 1052535734 WNAHSKDJQOOLID-GFCCVEGCSA-N 304.350 -0.447 30 20 DBED CCOc1cnc(C(=O)N2CCOC3(CN(CC#N)C3)C2)cn1 1053551286 SSHSEYWWENKIOL-UHFFFAOYSA-N 317.349 -0.074 30 20 DBED Cc1ncnc(O)c1C(=O)NC[C@@H]1CCC2(CN(CC#N)C2)O1 1053652389 VOWCCRCTVNQMST-NSHDSACASA-N 317.349 -0.023 30 20 DBED C#CCN1CC2(CC[C@H](CNC(=O)[C@H]3CN(CC)CCO3)O2)C1 1053699865 KCCZCQIXTUQLPB-HUUCEWRRSA-N 321.421 -0.310 30 20 DBED CCn1nnc(C)c1C(=O)N[C@@H]1COC2(C1)CN(CC#N)C2 1053827946 LCUIIDVSHVOKCG-NSHDSACASA-N 304.354 -0.297 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)c3cc(=O)n(C)cn3)CO2)C1 1053836879 UAPUGDHMCJTHQP-GFCCVEGCSA-N 316.361 -0.623 30 20 DBED CNC(=O)CC(=O)N1C[C@H]2CN(C(=O)CSCC#N)C[C@H]2C1 1055180844 WEJHRUQGTODAJS-PHIMTYICSA-N 324.406 -0.704 30 20 DBED COC(=O)[C@H]1C[C@H]1C(=O)N1CCN(c2cncc(C#N)n2)CC1 1055734878 FTAKCVBNYQZVBI-NEPJUHHUSA-N 315.333 -0.194 30 20 DBED N#Cc1ccc(N2CCN(C(=O)Cn3cnnc3O)CC2)cn1 1055751104 PGQVPLBTNMZNLW-UHFFFAOYSA-N 313.321 -0.401 30 20 DBED Cn1cnc(C(=O)N[C@H]2[C@@H]3CN(c4ncccc4C#N)C[C@@H]32)n1 1056203265 RLFFUHPIPKLQRO-GDNZZTSVSA-N 309.333 -0.054 30 20 DBED N#Cc1nccc(N2C[C@@H]3C(NC(=O)C45CCN(CC4)C5)[C@H]3C2)n1 1056268838 XSTCMTUHCLJKDU-RYUDHWBXSA-N 324.388 -0.005 30 20 DBED C=CC(C)(C)CC(=O)NCCN(CCO)C(=O)Cn1cnnn1 1056931645 XKSSDBYTWUIKLD-UHFFFAOYSA-N 324.385 -0.788 30 20 DBED CN(c1nccnc1C#N)[C@H]1CCN(C(=O)c2cnn(C)n2)C1 1056939624 ZXPBNBKQNFQULX-JTQLQIEISA-N 312.337 -0.172 30 20 DBED Cc1nn(C)cc1C(=O)N(CCO)CCNC(=O)C#CC(C)C 1057225949 HJSYKIVOMSHZKO-UHFFFAOYSA-N 320.393 -0.061 30 20 DBED C[C@]1(C(=O)NCCN(CCO)C(=O)C#CC2CC2)CCOC1 1057533571 RQWZAQIBJURSPJ-INIZCTEOSA-N 308.378 -0.237 30 20 DBED N#Cc1cncc(N2CCC(NC(=O)[C@@H]3COC(=O)N3)CC2)n1 1057864768 HXGDYAVIZHRNIM-NSHDSACASA-N 316.321 -0.458 30 20 DBED CN1CCOC[C@@H]1C(=O)N[C@@H]1CCN(c2cnc(C#N)cn2)C1 1058318744 FPKLEKVPIDVFRP-DGCLKSJQSA-N 316.365 -0.626 30 20 DBED CN1CCOC[C@@H]1C(=O)N[C@@H]1CCN(c2ccc(C#N)nn2)C1 1058318993 KIODIUGTMXVNOC-CHWSQXEVSA-N 316.365 -0.626 30 20 DBED CCn1cc(C(=O)N[C@H]2CCN(c3ccnc(C#N)n3)C2)nn1 1058432197 NVKBMXCHYVAIOC-JTQLQIEISA-N 312.337 -0.032 30 20 DBED Cc1nsc(N2CC[C@H](NC(=O)Cn3ncnn3)C2)c1C#N 1058452261 OORPSSJIXBCOFW-VIFPVBQESA-N 318.366 -0.295 30 20 DBED CN1C[C@H](C(=O)N[C@H]2CCN(c3cnc(C#N)cn3)C2)CC1=O 1058578337 RMZPFECSVJQTPJ-MNOVXSKESA-N 314.349 -0.479 30 20 DBED C#CCOCCC(=O)NCCN(CCO)C(=O)C1(CF)CC1 1058781112 OWPJMWSIBQBPPX-UHFFFAOYSA-N 314.357 -0.287 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)c1cc(C(N)=O)co1 1058834084 JUOAYJZNAWWEDN-SECBINFHSA-N 322.321 -0.911 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@H]1CCN(C(=O)CC(N)=O)C1 1059380318 BDMIKBSNKXPSAT-XQQFMLRXSA-N 323.393 -0.192 30 20 DBED C#CCCCC(=O)N1CCOC[C@H]1CNC(=O)[C@@H]1COCCO1 1061321289 ASJFCDPDPJGRMG-KGLIPLIRSA-N 324.377 -0.451 30 20 DBED C#CCCCC(=O)N1CCOC[C@@H]1CNC(=O)C(C)(C)C(N)=O 1061657538 AZOXQSVINOMEGN-LBPRGKRZSA-N 323.393 -0.355 30 20 DBED CN(CC1CCN(C(=O)C(N)=O)CC1)c1cnc(C#N)cn1 1062228599 DYTABQBUKDEOOJ-UHFFFAOYSA-N 302.338 -0.492 30 20 DBED N#Cc1cnccc1N1C[C@H]2C[C@H]1[C@H]2NC(=O)Cn1cnnn1 1064217359 ROLLDUDSIDBMPK-LQJRIPTKSA-N 310.321 -0.667 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)CCn2cnnn2)CCC1 1064306704 OBEKDCBCRLKLPS-JTQLQIEISA-N 305.342 -0.622 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H]1CN(C(=O)c2ccon2)CCO1 1064911822 NISUBFFDFBLCBL-NEPJUHHUSA-N 321.333 -0.330 30 20 DBED O=C(C#CC1CC1)N1CCO[C@H](CNC(=O)[C@]2(F)CCOC2)C1 1065136862 IILXDTFIADIVKJ-CJNGLKHVSA-N 324.352 -0.128 30 20 DBED C#CCCCC(=O)N1CC[C@@H](N2CCN(C(=O)C(N)=O)CC2)C1 1065699269 JMUJAEXTHDQBMU-CYBMUJFWSA-N 320.393 -0.980 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CCCN(C(=O)CC(N)=O)CC1 1066267977 QYHDRAMHOYISBX-VXGBXAGGSA-N 311.382 -0.050 30 20 DBED C[C@H]1CN(C(=O)Cc2cc[nH]n2)C[C@@H]1N=c1cc[nH]c(C#N)n1 1067061739 JCHUOFFHGQPAGQ-JQWIXIFHSA-N 311.349 -0.005 30 20 DBED N#Cc1ccc(N2C[C@H]3CC[C@H]2CN3C(=O)Cn2cnnn2)cn1 1068026543 QRUGVBDBUQWQRL-UONOGXRCSA-N 324.348 -0.180 30 20 DBED C[C@H](Nc1ccc(C#N)cn1)[C@H]1CN(C(=O)C(N)=O)CCO1 1068243603 KYDDTDYCNLAPDN-GXSJLCMTSA-N 303.322 -0.534 30 20 DBED N#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)C2(F)CCOCC2)C1 1069944505 TWSLHHMBMKGINW-NEPJUHHUSA-N 322.344 -0.338 30 20 DBED N#CCN1C[C@H]2C[C@H]3CN(C(=O)c4cnsn4)C[C@@]3(C1)O2 1070765585 SQOKPMBJGGHSAT-OPQQBVKSSA-N 305.363 -0.023 30 20 DBED CC#CCN1CC[C@@]2(C1)CN(C(=O)C1(C(N)=O)CC1)C[C@@H](C)O2 1071205894 AHFTUTXMDHRFHZ-CZUORRHYSA-N 319.405 -0.033 30 20 DBED C[C@@H]1CC[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)CN1CC#N 1071860240 HEEYOAJFBLZCJP-MNOVXSKESA-N 319.365 -0.810 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](NC(=O)C#CC(C)C)[C@H](C)C1 1071936586 REFCZROZLQKLMG-ZIAGYGMSSA-N 317.389 -0.252 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(C(=O)CCn2cnnn2)C[C@H]1C 1072600163 QXAUXZRCHRJVBG-CHWSQXEVSA-N 318.381 -0.314 30 20 DBED CC#CCN1CCC2(C1)CN(C(=O)CN1CCC(=O)NC1=O)C2 1073106181 RQUUGKKKSKHYNH-UHFFFAOYSA-N 318.377 -0.514 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(N2CCN(C(=O)C3CC3)CC2)C1 1073522131 RTWGYGWWLVVIEI-ZDUSSCGKSA-N 319.405 -0.210 30 20 DBED C=C(C)CCN1CCO[C@@H]2CCN(C(=O)Cn3ncnn3)C[C@@H]21 1074242533 ZFBFJGFCMUSQGJ-UONOGXRCSA-N 320.397 -0.059 30 20 DBED C#CCCN1CCO[C@@H]2CCN(C(=O)CCn3cnnn3)C[C@H]21 1074368393 FQSKXBSUCCWTJG-ZIAGYGMSSA-N 318.381 -0.612 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CN(C[C@@H]3CCOC3)C[C@H]2O)c[nH]1 1076906386 YDDHFVIDISUEGH-ZLKJLUDKSA-N 304.350 -0.302 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)c2cnc3n2CCOC3)C1 1077170386 BJHJDFGUWNKKPD-DGCLKSJQSA-N 304.350 -0.789 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)c2ccc3nnc(C)n3c2)C1 1077273847 KJSKMGPQOCAICM-CHWSQXEVSA-N 301.350 -0.001 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCS(=O)(=O)C2)C1 1077333326 HJYMAYUASAQOBE-IJLUTSLNSA-N 302.396 -0.842 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H](C)CCNC(=O)c1[nH]nnc1C 1077704831 MMPJEAJYWQKOFS-GXSJLCMTSA-N 307.354 -0.224 30 20 DBED C=C(C)CN1CCC2(CC1)CN(C(=O)C(N)=O)[C@@H]1COC[C@@H]12 1079258098 NESZFDBACDVNDQ-QWHCGFSZSA-N 307.394 -0.013 30 20 DBED C=CCCC(=O)N1CC(N(CC)C(=O)C[C@@H]2NC(=O)NC2=O)C1 1080007876 OWUVFYJGMXVRMM-NSHDSACASA-N 322.365 -0.390 30 20 DBED CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)CCn2cnnn2)C1 1080414728 RLFBVICTFVKIKH-SNVBAGLBSA-N 305.342 -0.718 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(C(=O)Cc2cc[nH]n2)C[C@H]1O 1081472481 YQAJUOBCGLDTBM-TZMCWYRMSA-N 316.361 -0.699 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2csnn2)C1 1081624032 SKJBCYHYUZBZHL-CMPLNLGQSA-N 322.390 -0.253 30 20 DBED C=CCCCC(=O)NC[C@@H]1CN(C(=O)CNC(C)=O)C[C@H]1O 1081700424 HUOSIRKQGFOQRQ-CHWSQXEVSA-N 311.382 -0.586 30 20 DBED C=CCN1C[C@@H](NC(=O)c2ccn3nnnc3c2)[C@H](OC)C1 1082017314 BIGJCTIQKBNZKE-VXGBXAGGSA-N 302.338 -0.261 30 20 DBED Cn1ccc(CCC(=O)N2CCO[C@@H]3CN(CC#N)C[C@@H]32)n1 1083096794 XJGNAVYMUULBGN-UONOGXRCSA-N 303.366 -0.212 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)Cc2n[nH]c3c2CCCC3)C1 1083462900 GDWYNLVVOUZLBW-CABCVRRESA-N 302.378 -0.375 30 20 DBED C=CCCN1CC[C@@H]2CN(C(=O)Cn3cnc(C(N)=O)n3)[C@@H]2C1 1084356458 JTWFIUPLXKRBNQ-VXGBXAGGSA-N 318.381 -0.514 30 20 DBED C=CCN1CC[C@H]1CN(C)C(=O)c1c[nH]nc1S(N)(=O)=O 1085810537 HJRINVNRTMCQKV-VIFPVBQESA-N 313.383 -0.611 30 20 DBED C[C@@H]1CC[C@H](NC(=O)CNC(N)=O)CN1c1cncc(C#N)n1 1089110291 PZELVGNZWJAWNW-ZJUUUORDSA-N 317.353 -0.510 30 20 DBED CCN(c1ccc(C#N)cn1)[C@H](C)CNC(=O)[C@H]1CNC(=O)N1 1089728213 FJEGZDQGGNQVBX-ZYHUDNBSSA-N 316.365 -0.034 30 20 DBED CC#CCN1C[C@H]2[C@H]3CC[C@@H]([C@H]2C1)N(C(=O)Cn1ncnn1)C3 1089816879 QLOPRHSAIDBJRD-AJNGGQMLSA-N 314.393 -0.135 30 20 DBED N#CCN1C[C@@H](NC(=O)[C@H]2CCC(=O)N2)CC2(CCOCC2)C1 1089930782 LVCAPSOTQCUKBN-QWHCGFSZSA-N 320.393 -0.224 30 20 DBED C=CCN1CC[C@@H](NC(=O)c2cccn3nnnc23)[C@@H](O)C1 1090294294 CEKWARJICURWOD-NEPJUHHUSA-N 302.338 -0.525 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2c(C)nnn2CC)[C@@H](O)C1 1090322816 NPCHMFNXGSHYBC-STQMWFEESA-N 305.382 -0.205 30 20 DBED CC[C@@H](OC)C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1O 1090374025 RVYXHPGIWQXACV-IJLUTSLNSA-N 305.338 -0.561 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1O 1090494448 DXZYHTVCIDINJB-HUUCEWRRSA-N 314.345 -0.341 30 20 DBED CC#CCN1CC[C@@H](NC(=O)Cn2nc(C)ccc2=O)[C@@H](O)C1 1090747286 ICKXLUQLFHFEFB-KGLIPLIRSA-N 318.377 -0.874 30 20 DBED C#CCN1CC[C@H](NC(=O)c2c(OC)ncnc2OC)[C@@H](O)C1 1090843514 JODPCWPOINTGHT-QWRGUYRKSA-N 320.349 -0.708 30 20 DBED CO[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1NC(=O)[C@@H](C)C#N 1090864939 NWOIEGYDNUSUOG-MVWJERBFSA-N 300.322 -0.172 30 20 DBED CO[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1NC(=O)[C@H](C)C#N 1090865704 WQJQFFVGYBLODD-YUSALJHKSA-N 300.322 -0.172 30 20 DBED COCC(=O)N[C@H]1CCN(c2ncc(C#N)cc2F)C[C@@H]1O 1092126549 ODXUZBGQIGLORM-RYUDHWBXSA-N 308.313 -0.205 30 20 DBED CN(C)C(=O)CC(=O)NC1[C@H]2CN(c3ccnc(C#N)n3)C[C@H]12 1093354601 AFSULJNNSHFEDP-UWVGGRQHSA-N 314.349 -0.623 30 20 DBED N#Cc1ccc(N2C[C@@H]3C(NC(=O)C4(C(N)=O)CC4)[C@H]3C2)nc1 1093355304 FFFCXPLTNGLIEX-QWRGUYRKSA-N 311.345 -0.230 30 20 DBED CNC(=O)NC(C)(C)C(=O)NCCN=c1cc[nH]cc1C#N 1093672941 DMGMDTQYENHOOA-UHFFFAOYSA-N 304.354 -0.389 30 20 DBED Cc1cc(=NCCNC(=O)[C@H](C)S(C)(=O)=O)c(C#N)c[nH]1 1094238792 HMKOPUMMOOOYFY-JTQLQIEISA-N 310.379 -0.355 30 20 DBED C=CCN1CC(n2cc(CNC(=O)[C@H]3CCN(C)C3=O)nn2)C1 1094311420 ZADPVPCONGNHFM-CYBMUJFWSA-N 318.381 -0.585 30 20 DBED N#CCN1CC(N2C[C@@H](NC(=O)C[C@@H]3CCOC3)CC2=O)C1 1094716104 VTPXJOYNQRARCI-RYUDHWBXSA-N 306.366 -0.662 30 20 DBED C#CCCN1CC(N2C[C@@H](NC(=O)[C@]3(F)CCOC3)CC2=O)C1 1094777845 CVXPJRBXEHBQJZ-LRDDRELGSA-N 323.368 -0.460 30 20 DBED Cc1nc(N(C)[C@@H]2CCN(C(=O)CNC(N)=O)C2)ccc1C#N 1095091154 CVUAAGOEEVGGJX-GFCCVEGCSA-N 316.365 -0.033 30 20 DBED CN(CCCNC(=O)Cc1nc[nH]n1)c1ccc(C#N)nn1 1095637008 RVJIJFUOYKMPEZ-UHFFFAOYSA-N 300.326 -0.348 30 20 DBED CN(CCCNC(=O)[C@]1(C)CCNC1=O)c1ccnc(C#N)n1 1095735871 CJHMYONUKLAPNX-HNNXBMFYSA-N 316.365 -0.183 30 20 DBED Cc1ccc(=O)n(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC#N)n1 1096394596 CJPFPOAXMLYZRQ-AGIUHOORSA-N 301.350 -0.203 30 20 DBED CNC(=O)CC(=O)N[C@H]1C[C@H](Nc2nc(C)cc(C#N)n2)C1 1097009247 HWFTYNHVQCDFII-MGCOHNPYSA-N 302.338 -0.148 30 20 DBED C[C@H](NC(N)=O)C(=O)N[C@H]1C[C@H](Nc2ccc(C#N)nn2)C1 1097014281 PTODFBIWMIHMJY-HGNGGELXSA-N 303.326 -0.536 30 20 DBED C[C@H](NC(=O)CC(N)=O)[C@@H]1CCCN(c2cncc(C#N)n2)C1 1097516747 UYYWSNAPIJPNAV-WDEREUQCSA-N 316.365 -0.055 30 20 DBED C[C@@H](CNC(=O)[C@@H]1COCCN1C)Nc1cncc(C#N)n1 1097765849 ZHHDDSIDYJNFKC-JQWIXIFHSA-N 304.354 -0.405 30 20 DBED C=C(C)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H]1CC(=O)NC(=O)N1 1097942908 MWAPXLWNGRZZOC-WYUUTHIRSA-N 306.366 -0.118 30 20 DBED CC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cn1nc(C)n(C)c1=O 1098308190 DWLHFCBBOONQBK-MCIONIFRSA-N 317.393 -0.365 30 20 DBED C[C@@H](CNC(=O)[C@H]1CN(C)C[C@@H](C)O1)Nc1cnc(C#N)cn1 1098363457 XEZGJAZLLSRMRX-DMDPSCGWSA-N 318.381 -0.016 30 20 DBED COC[C@@H](C)C(=O)N1CC[C@H](n2cc(CNCC#N)nn2)C1 1098645611 RJYHBWGUEUZBTO-YPMHNXCESA-N 306.370 -0.053 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@@H](n2cc(CNCC#N)nn2)C1 1098672647 HTNCFGUURJKCIE-GXTWGEPZSA-N 316.365 -0.297 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2ccnn2C)[C@@H](O)C1 1099711517 ATGKYWSNUVJRBD-OCCSQVGLSA-N 306.366 -0.765 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2n[nH]c(C)c2O)[C@H](O)C1 1099771217 DDBDDODOSZHOBN-VXGBXAGGSA-N 322.365 -0.761 30 20 DBED CN(CCNC(=O)CNC(N)=O)c1snc(Cl)c1C#N 1099910491 FEDHLQWOLXDQKY-UHFFFAOYSA-N 316.774 -0.111 30 20 DBED CN1CCO[C@H](C(=O)NCCN(C)c2ccc(C#N)nc2)C1 1099996654 NZYOKHPFACSRBQ-AWEZNQCLSA-N 303.366 -0.164 30 20 DBED CNC(=O)NC(C)(C)C(=O)NCCN(C)c1cncc(C#N)n1 1100154378 HKZZYZFMAREELM-UHFFFAOYSA-N 319.369 -0.392 30 20 DBED C=CCOCC(=O)NCC1CC(N[C@@H]2CCC(=O)NC2=O)C1 1100186993 UWZWNQZFEYBLFX-HTAVTVPLSA-N 309.366 -0.521 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CN(C(=O)[C@@H]3CCOC3)C[C@]2(C)C1 1101150590 FTWUGKQLMVPEEI-CPUCHLNUSA-N 319.405 -0.447 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)C[C@@H]1COC(=O)C1 1101559451 IUHXBTIGCCSXQX-JTQLQIEISA-N 303.322 -0.406 30 20 DBED COCCS(=O)(=O)CC(=O)NC[C@@H]1CN(CC#N)C[C@H]1C 1102095153 BTWBPRIPBNQOFM-VXGBXAGGSA-N 317.411 -0.745 30 20 DBED C[C@@H](CN=c1cc[nH]cc1C#N)N(C)C(=O)C1(C(N)=O)CC1 1104793199 QHWOLOWNJSTMGY-JTQLQIEISA-N 301.350 -0.101 30 20 DBED C[C@H]1CN(C(=O)CNC(N)=O)CC[C@@H]1Nc1cnc(C#N)cn1 1105030771 YJMNLBWDFCTAKN-ONGXEEELSA-N 317.353 -0.335 30 20 DBED C=CCOCC(=O)N1CC(n2cc(CNC[C@H](C)O)nn2)C1 1105191761 DLZRBRVXPKLTMV-NSHDSACASA-N 309.370 -0.666 30 20 DBED N#Cc1nccnc1NC[C@@H]1CCC[C@H]1NC(=O)CNC(N)=O 1105655614 RAFSXKNOTUGJIA-VHSXEESVSA-N 317.353 -0.287 30 20 DBED CCSCCC(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1 1105723972 XJZKYDXTBKCLPR-SNVBAGLBSA-N 309.395 -0.198 30 20 DBED C=CCNC(=O)[C@@H](C)NC[C@@H]1CN(C(=O)CNC(C)=O)C[C@H]1C 1105768590 RVMNRXCHUQWGEZ-YRGRVCCFSA-N 324.425 -0.503 30 20 DBED CCN(C)CCC(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1 1105944628 VXEBKGJRZWHDTL-LLVKDONJSA-N 306.370 -0.999 30 20 DBED C[C@@H]1CCN(CC(=O)NC[C@@H](O)CNc2ccc(C#N)nn2)C1 1106104053 GVFZZZYBOHASOJ-YPMHNXCESA-N 318.381 -0.421 30 20 DBED CC(=O)N(C)CC(=O)NC/C=C/CNc1nccnc1C#N 1107040249 XQWWTSAWSALXNQ-ONEGZZNKSA-N 302.338 -0.089 30 20 DBED CCN(C)CCC(=O)NCc1cn(C2CN(CC#N)C2)nn1 1107226023 LXTCDYQFZXQFLI-UHFFFAOYSA-N 305.386 -0.384 30 20 DBED C[C@H](C(=O)NC/C=C\CNc1nccnc1C#N)S(C)(=O)=O 1107576379 LUPQDKUHZFJNAN-UMBAGQNISA-N 323.378 -0.134 30 20 DBED CC#CCN1CCO[C@](C)(CNC(=O)CCc2cnn[nH]2)C1 1108225327 UXNSUHMCVZLVRN-OAHLLOKOSA-N 305.382 -0.032 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)c1cc(=O)n(C)o1 1108335422 AEBHRSRDFYHRNF-QMMMGPOBSA-N 302.294 -0.708 30 20 DBED Cc1cc(C#N)nc(NC[C@H](C)NC(=O)[C@@H]2CCC(=O)N2)n1 1108470518 SKHAIZFFUWCXRL-ONGXEEELSA-N 302.338 -0.148 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)CCS(C)(=O)=O 1108773854 SEDZNRVQMGSIQY-VIFPVBQESA-N 311.367 -0.879 30 20 DBED C[C@@H](CN(C)c1cncc(C#N)n1)NC(=O)[C@@H]1CCC(=O)N1 1109027012 CFZGXKFSMHBVRW-ONGXEEELSA-N 302.338 -0.432 30 20 DBED CC(=O)NCC(=O)N1CCC[C@H]1CN=c1cc[nH]c(C#N)n1 1110527568 QNFSFNZJBRECES-NSHDSACASA-N 302.338 -0.691 30 20 DBED CNC(=O)CC(=O)N[C@]1(C)CCN(c2ccc(C#N)nn2)C1 1110746209 ZUIIWPFIHMJHOL-CQSZACIVSA-N 302.338 -0.431 30 20 DBED CCOCC(=O)N[C@]1(CO)CCCN(c2ccnc(C#N)n2)C1 1111326841 SVVZOWTTWUZTQJ-OAHLLOKOSA-N 319.365 -0.168 30 20 DBED Cc1nc(C(=O)N(CCO)CCN=c2cc[nH]c(C#N)n2)co1 1111458257 ORINDWUCJPPQHQ-UHFFFAOYSA-N 316.321 -0.387 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)CCn2cncn2)CC1 1112615068 BNCPARPGSGXMIM-ZDUSSCGKSA-N 320.397 -0.497 30 20 DBED C[C@@H](C#N)C(=O)NC1(CO)CCN(c2ccnc(C#N)n2)CC1 1112657042 MZVQFIMGUIMARJ-NSHDSACASA-N 314.349 -0.045 30 20 DBED CC[C@@H](C)[C@H](OC)C(=O)N1CCN(CC(=O)NCC#N)CC1 1113044129 LNLPKQVWNXWBCK-OCCSQVGLSA-N 310.398 -0.169 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)c2nc(C)c[nH]2)CC1 1113417568 MRVBHHIANNSTHZ-GFCCVEGCSA-N 303.366 -0.386 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCC(=O)N1)N(C)c1cnc(C#N)cn1 1113543231 QTHYASSIWXOKRN-GXSJLCMTSA-N 302.338 -0.432 30 20 DBED C=CCCN1CCN(C(=O)CCS(=O)(=O)N(C)C)CC1 1113674698 GITRYHAKQKYSPG-UHFFFAOYSA-N 303.428 -0.012 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCC(=O)N1C)N(C)c1nccnc1C#N 1113829861 BHTRPCMUCCLOOW-CMPLNLGQSA-N 316.365 -0.090 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)[C@H](C)OCCCC)[C@@H]2C1 1113999663 RHGYTOQVCLLIBZ-BFHYXJOUSA-N 321.421 -0.013 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1[C@@H]2CN(Cc3nnc4n3CCOC4)C[C@@H]21 1114067571 UDVBHVINVUHZKJ-PUHVVEEASA-N 316.365 -0.486 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)c3cncc(C)c3)[C@@H]2C1 1114093497 PYSNITWQALGSLR-ZIAGYGMSSA-N 312.373 -0.201 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)CC[C@H]3CCOC3)[C@H]2C1 1114134702 OPWQRIOEOGJPJX-SZOQZIPDSA-N 319.405 -0.401 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)c3cc(=O)n(C)o3)[C@@H]2C1 1114175447 DPRKXFCWBGXAFK-GHMZBOCLSA-N 305.334 -0.712 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)CCS(C)(=O)=O)[C@@H]2C1 1114478553 XOEMXMQFVZXTIR-VXGBXAGGSA-N 314.407 -0.883 30 20 DBED C[C@H](CCCN=c1cc[nH]c(C#N)n1)NC(=O)c1nnn(C)n1 1115053173 XCYMSYXRSMYYMV-SECBINFHSA-N 315.341 -0.696 30 20 DBED C#CCNC(=O)CC(=O)N(C)C[C@H](C)Nc1nccc(OC)n1 1115683472 BTIGGFAVZUQRPG-NSHDSACASA-N 319.365 -0.117 30 20 DBED CCn1c(S)nnc1CCNC(=O)Cn1cnc(C#N)n1 1116306699 HUQRBHPGJVRINN-UHFFFAOYSA-N 306.355 -0.591 30 20 DBED CC(=O)N1CCN(C(=O)C(=O)NCC2(CC#N)CC2)[C@H](C)C1 1117685707 UGDWPNHCEDJYLG-LLVKDONJSA-N 306.366 -0.124 30 20 DBED C#CCCCn1nnnc1N1CCN(S(=O)(=O)C2CC2)CC1 1120156310 NVQQMGCAGPVADC-UHFFFAOYSA-N 324.410 -0.299 30 20 DBED CN(C)CCCCC(=O)NC[C@H](CO)Nc1cncc(C#N)n1 1121846812 CAVSUDMHGJLGNH-CYBMUJFWSA-N 320.397 -0.031 30 20 DBED COCC(C)(C)CC(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1 1122279899 ISDCCYRCPLKCOR-LLVKDONJSA-N 321.381 -0.278 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@H](CO)Nc1nccnc1F 1122769379 ITMWGORFINOWKX-RYUDHWBXSA-N 321.356 -0.398 30 20 DBED CC(=O)N[C@H](C)C(=O)N(C)C[C@@H](O)CNc1nccnc1C#N 1124059237 DQRCHDAHOZZZPQ-KOLCDFICSA-N 320.353 -0.896 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)c1cc(C)nn1C 1124257847 SYXRUYYPNUJDJM-UHFFFAOYSA-N 320.397 -0.190 30 20 DBED CN(C[C@@H](O)CNc1ccc(C#N)nc1)C(=O)CCNC(N)=O 1124370043 OSUOEHDSGHJXJJ-LBPRGKRZSA-N 320.353 -0.757 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)c1ncoc1C 1124371086 CDOSJRGZXLBXOL-VIFPVBQESA-N 323.353 -0.297 30 20 DBED COCCN(CCNC(=O)[C@H](O)C(C)C)c1cnc(C#N)cn1 1126315472 OADIEQVCMLYRGO-CQSZACIVSA-N 321.381 -0.066 30 20 DBED C#CCO[C@@H](C)C(=O)NCCNCC(=O)N1CCC[C@@H](C)C1 1127046000 KDYDIVLUXWGZQQ-KGLIPLIRSA-N 309.410 -0.011 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)CNC(=O)C1CCCC1 1127956935 QKCFWAULMYCYQQ-GFCCVEGCSA-N 324.425 -0.311 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cccc2c1OCCO2 1128769169 MIHVGBGNLDOCIG-UHFFFAOYSA-N 317.345 -0.473 30 20 DBED C#CCNC(=O)CN1C[C@H](NC(=O)Cc2ncc[nH]2)CC[C@H]1C 1132381398 XUBPINZGROJTJW-CHWSQXEVSA-N 317.393 -0.329 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)c1cocc1C 1132483095 RBMHXXPMEWCDGN-UHFFFAOYSA-N 308.338 -0.081 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@H]1CN(C(C)C)CCO1 1132858920 PAHZVWJHVODPRN-CYBMUJFWSA-N 312.414 -0.896 30 20 DBED C[C@@H]1CCN(C(=O)COCc2nncn2C)C[C@@H]1CNCC#N 1133212280 AWXDRGOZBCLGOF-OLZOCXBDSA-N 320.397 -0.071 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)[C@@H](CC)NC(C)=O)C1=O 1134175547 WEPFCWSDRCLGNH-CHWSQXEVSA-N 310.398 -0.606 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)[C@@H](C)OCCOC 1134673000 HRKHEJFCPGPIHT-NWDGAFQWSA-N 301.387 -0.566 30 20 DBED C=CCn1cc(C(=O)NCCNCc2cc(OC)no2)nn1 1134970000 NNTANESZWCGNPD-UHFFFAOYSA-N 306.326 -0.020 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)c1nccs1 1135659752 KMQOSOGQXBZFAA-UHFFFAOYSA-N 311.367 -0.526 30 20 DBED COCC#CCNCCNC(=O)C1(C(=O)N(C)C(C)C)CC1 1135998767 INWXERVERBRERH-UHFFFAOYSA-N 309.410 -0.011 30 20 DBED N#CCNC(=O)CNCCNC(=O)[C@@H]1Cc2cccnc2C1 1149181081 JITYIRIATSEIRR-GFCCVEGCSA-N 301.350 -0.858 30 20 DBED C=CCNC(=O)CN1CCCO[C@H](CNC(=O)[C@H](C)C#N)C1 1149398834 PECXKLZGQFCEGG-CHWSQXEVSA-N 308.382 -0.345 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)c2nn(CC)nc2C)C1=O 1153757153 UZLSZSGCAGTSEM-GFCCVEGCSA-N 320.397 -0.287 30 20 DBED C#CCNC(=O)CNCCNC(=O)CCc1cncc(F)c1 1153775219 TXIIYCZRFONYLT-UHFFFAOYSA-N 306.341 -0.392 30 20 DBED C#CCNC(=O)CC(=O)NCCCNCc1ccc(CO)cc1 1156848352 ZERSAPNVEJPVBF-UHFFFAOYSA-N 317.389 -0.086 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)C1CN(C(C)=O)C1 1157127417 JDRNFVHOVZLMCO-NSHDSACASA-N 310.398 -0.749 30 20 DBED C=CCNC(=O)CNCCCNC(=O)c1cn(C)nc1COC 1161262703 FHPMVOSFLOUANG-UHFFFAOYSA-N 323.397 -0.422 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)COCCCOC 1170529721 JOBYLYFXVQIUFQ-CYBMUJFWSA-N 313.398 -0.727 30 20 DBED C#CCNC(=O)CNCCCNC(=O)Cc1c(C)n[nH]c1C 1175882278 INMOFOAVJSSAFJ-UHFFFAOYSA-N 305.382 -0.586 30 20 DBED CNC(=O)NCCC(=O)N1CC[C@H]2OCCN(CC#N)[C@@H]2C1 1177001753 WKDJRAGNKVSKIS-VXGBXAGGSA-N 309.370 -0.869 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@H](NCc2cnn(C)n2)[C@@H]1C 1178679146 ZUBJEXSQVIVUMH-SCRDCRAPSA-N 305.382 -0.068 30 20 DBED COCC#CCN[C@H]1CCN(C(=O)[C@H]2CCCNC2=O)[C@H]1C 1178940971 RCKNBBHMTUJLJY-IHRRRGAJSA-N 307.394 -0.259 30 20 DBED CC#CCCCC(=O)N1CC[C@H](NCC(=O)NC(N)=O)[C@@H]1C 1179360453 VXNFCCSUEIQJRR-RYUDHWBXSA-N 308.382 -0.046 30 20 DBED C[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@@]1(C)CNCc1nc(=O)n(C)[nH]1 1180914851 WFWCKOMRXLHHHA-UEKVPHQBSA-N 320.397 -0.158 30 20 DBED C#CCNC[C@H]1CN(C(=O)[C@H](C)NC(N)=O)CC12CCOCC2 1186349642 KIASXESFTVSROB-STQMWFEESA-N 322.409 -0.479 30 20 DBED Cc1cc(=O)c(C(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)c[nH]1 1186761930 GOMYEMZZIJWPIT-LLVKDONJSA-N 317.349 -0.873 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)Cn2cccn2)C1 1188870948 WEQNJFKOXWNRON-CYBMUJFWSA-N 305.382 -0.282 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@@H]1CCN(C(=O)c2cn[nH]c2)C1 1189031964 OUMKDEWACXWQKF-DGCLKSJQSA-N 303.366 -0.306 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)[C@H]3CC[C@@H](C)O3)[C@@H]2C1 1189175278 UBTQTBOXALBJIT-LXTVHRRPSA-N 319.405 -0.164 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@H](N(C)Cc2nc(O)n[nH]2)C1 1190105633 POEJNBMVSIWSME-QWRGUYRKSA-N 307.354 -0.419 30 20 DBED CC[C@@H](C)C(=O)N[C@@H]1CN(CC(=O)N(CC)CCC#N)C[C@H]1O 1191096924 NVXQIXYYPFPXOG-MGPQQGTHSA-N 324.425 -0.044 30 20 DBED Cc1cc(C)n(CCN2C[C@@H](O)[C@H](NC(=O)[C@@H](C)C#N)C2)n1 1191872310 HZTDPDXEPSKWES-ZLKJLUDKSA-N 305.382 -0.179 30 20 DBED C[C@@H](O)CCCN1C[C@@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 1192037876 OCXVVDPUEXZBPY-LERXQTSPSA-N 306.366 -0.178 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2nnc(C)s2)C[C@H]1O 1192891553 NVKWYVPJWJUSED-YUSALJHKSA-N 324.406 -0.454 30 20 DBED C=CCCCN1C[C@@H](O)[C@H](NC(=O)CC2CS(=O)(=O)C2)C1 1194265221 NXCSEZSKRYSFFM-CHWSQXEVSA-N 316.423 -0.451 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)c2conc2C)C1 1195799970 KEILTCNJIBBARH-RAIGVLPGSA-N 322.365 -0.551 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)Cc2cnc[nH]2)C1 1196827121 SKARXGRFNHQVMH-NWANDNLSSA-N 322.409 -0.048 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)c2nccs2)C1 1197124404 MOSQKTCBXJWQJZ-GMTAPVOTSA-N 322.390 -0.944 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)c2cccn(C)c2=O)C1 1197889443 OGLOGPUJXRFWNS-ZIAGYGMSSA-N 321.377 -0.637 30 20 DBED N#CCNC(=O)CN1CCCN(C(=O)c2ccc(O)nc2)CC1 1198015493 IVODMQSXNYWLKZ-UHFFFAOYSA-N 317.349 -0.425 30 20 DBED COCC#CCN1CCCN(C(=O)CCc2cn(C)nn2)CC1 1198394882 OJPSZVSMVFUTGZ-UHFFFAOYSA-N 319.409 -0.068 30 20 DBED C=CCN1CC[C@@H](N[C@H]2CCCN(C(=O)CNC(N)=O)C2)C1=O 1207265890 DVZAJTGTFVNOFX-NWDGAFQWSA-N 323.397 -0.978 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@H](NCc2cnns2)C1 1207873011 ZAGXCDCGBGQLRL-NSHDSACASA-N 321.406 -0.242 30 20 DBED CO[C@@H]1CN(CC(=O)NC(C)(C)C)C[C@H]1NC(=O)[C@H](C)C#N 1212039154 FUJABNBSBZFCPE-IJLUTSLNSA-N 310.398 -0.124 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)CNC(=O)CC(C)(C)C 1213878620 RRTYUHBKPBPJHG-VXGBXAGGSA-N 310.398 -0.122 30 20 DBED CC[C@@H](C)CC(=O)N1CCO[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1217736229 CTWPGZBCAMDIIO-HZSPNIEDSA-N 322.409 -0.026 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)C(=O)NCC(F)F 1218220409 UMCGXUIWIGJTNO-WDEREUQCSA-N 315.320 -0.697 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2ccccc2C)C1 1219113740 GQLLRZVTTUTWAN-CABCVRRESA-N 315.373 -0.481 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(Cc2cnnn2CC)C[C@@H]1O 1219526865 DOWJFEDXKPQXAB-IPYPFGDCSA-N 323.397 -0.714 30 20 DBED C#CCN1CCC(NC(=O)CCCN2C(=O)CNC2=O)CC1 1230226266 DXQZSIYQUPACQZ-UHFFFAOYSA-N 306.366 -0.468 30 20 DBED C=CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)C(C)(C)C(N)=O 1235602012 NGTYKYTUUNWEER-LLVKDONJSA-N 310.398 -0.667 30 20 DBED C[C@]1(C2CC2)NC(=O)N(CC(=O)NC2(C#N)CCOCC2)C1=O 1318519179 SKXZRKPCPDHJOC-CQSZACIVSA-N 320.349 -0.104 30 20 DBED CN1CC[C@H](NC(=O)C(=O)Nc2cccc(OCC#N)c2)C1=O 1321293517 KZMXYTOPPPUZQZ-LBPRGKRZSA-N 316.317 -0.126 30 20 DBED COCCn1cc(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)cn1 1322549358 PCHLVHBDZQJUSR-NSHDSACASA-N 307.310 -0.781 30 20 DBED N#Cc1ncn(CCNC(=O)NCCCC(=O)NC2CC2)n1 1322633222 ROIIDJSEPJUIRR-UHFFFAOYSA-N 305.342 -0.492 30 20 DBED N#CCNC(=O)CNC(=O)C(=O)Nc1ccc(C#N)cc1F 1323359208 CIOPWATWGBAUJU-UHFFFAOYSA-N 303.253 -0.608 30 20 DBED C=C(Br)CNC(=O)C(=O)NC[C@H](COC)OC 1324424638 UZQNDUVPWAUZPK-MRVPVSSYSA-N 309.160 -0.211 30 20 DBED Cc1[nH]c2ccnn2c(=O)c1CC(=O)N[C@](C)(C#N)CN(C)C 1326444933 AMLZGMNTGBJWNB-OAHLLOKOSA-N 316.365 -0.166 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N[C@H](C)CS(=O)(=O)CC 1326650407 GNMOLZHDNNWAEU-ZJUUUORDSA-N 306.384 -0.757 30 20 DBED CC#CC[C@H](CO)NC(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1 1329555459 UIZDLJBYSZBEGJ-ZWNOBZJWSA-N 323.374 -0.393 30 20 DBED C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CO1 1330427141 VSRZEJTUWCXXJR-MDZLAQPJSA-N 306.366 -0.521 30 20 DBED C=CCOCCNC(=O)C(=O)N1CC[C@@H](CN2CCCC2=O)C1 1330494089 LPYHVVPNOBQYHU-ZDUSSCGKSA-N 323.393 -0.224 30 20 DBED C#CC[C@H](CCOC)NC(=O)NCCCN(C)S(C)(=O)=O 1331273112 UXPNBLTXSHNQSY-GFCCVEGCSA-N 319.427 -0.005 30 20 DBED C=CCCN(C)c1nnnn1C[C@H]1CCN(S(C)(=O)=O)C1 1335562179 IZFPBUUVGUNHBO-NSHDSACASA-N 314.415 -0.033 30 20 DBED C#CCSCCn1nnnc1N1[C@H]2CC[C@H]1CC(=O)NC2 1335833238 WYSBZWWRDNDIER-QWRGUYRKSA-N 306.395 -0.103 30 20 DBED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NCCO)n2)cc1 1340348210 QJCZSZNQHOMIFI-UHFFFAOYSA-N 314.305 -0.755 30 20 DBED C=CC[C@H](CC)NC(=O)C(=O)N(C)CC(=O)N1CCOCC1 1342267140 XGMJEDGWYRIOGW-LBPRGKRZSA-N 311.382 -0.226 30 20 DBED C#CCN(CC)c1nnnn1CCOCCS(C)(=O)=O 1343944444 CDGNCNCTHLFMRP-UHFFFAOYSA-N 301.372 -0.806 30 20 DBED C[C@H](C#N)CN(C)c1nnc(CC[C@]2(C)NC(=O)NC2=O)n1C 1345197693 LOUSJEGUCARRSK-OTYXRUKQSA-N 319.369 -0.058 30 20 DBED N#C[C@@]1(F)CCN(C(=O)C(=O)N[C@H]2CCn3ccnc3C2)C1 1347086450 URIMVZWGRFNGDT-HZMBPMFUSA-N 305.313 -0.222 30 20 DBED C=CCOC[C@H](NC(=O)[C@H]1CN2CCN1C[C@@H]2C)C(=O)OC 1347532232 RUFRTSIDRKWLBS-RWMBFGLXSA-N 311.382 -0.765 30 20 DBED N#C[C@H]1CCCN(C(=O)C(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)C1 1354460153 OESOJQACBORVDA-NEPJUHHUSA-N 318.377 -0.124 30 20 DBED CC(=O)NC[C@H]1CCCN(c2[nH]c(=O)n(C)c(=O)c2C#N)C1 1364539384 USHAKDNXYOFZQT-SNVBAGLBSA-N 305.338 -0.702 30 20 DBED CCN(CCNC(=O)[C@@H]1COCCN1CC)C(=O)[C@H](C)C#N 1373864925 IFCCPRKAAPUDIY-OLZOCXBDSA-N 310.398 -0.169 30 20 DBED CC(=O)NCC(=O)N1[C@H]2CC[C@H]1CN(C(=O)[C@H](C)C#N)CC2 1379186729 VJPCTEHMYITRNA-WXHSDQCUSA-N 306.366 -0.126 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H](C)CNC(=O)c1c[nH]c(C(N)=O)c1 1380739018 XSXKABMIJNABCJ-DTWKUNHWSA-N 305.338 -0.150 30 20 DBED COCCn1ccc(C(=O)NC[C@@H](C)NC(=O)[C@H](C)C#N)n1 1397516870 OSOIXBGNHKHFNN-GHMZBOCLSA-N 307.354 -0.076 30 20 DBED C=C(Cl)CN[C@@H](C)CNC(=O)c1cn(C)c(=O)nc1O 1399108628 OUUVAOCFZMXJNI-QMMMGPOBSA-N 300.746 -0.054 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C)C(=O)[C@H](NC(N)=O)C(C)(C)C 1408673736 GAVRLRSSHIVWFT-UWVGGRQHSA-N 311.386 -0.196 30 20 DBED COc1cc(C(=O)NCC2(NC(=O)[C@@H](C)C#N)CC2)nn1C 1410775992 UAAQDGYUZKCOPT-VIFPVBQESA-N 305.338 -0.033 30 20 DBED N#Cc1cn(CC(=O)N2CC[C@@]3(CCOC3)C2)c(=O)nc1O 1412703813 YFSYCGAPJPUFIA-CQSZACIVSA-N 304.306 -0.540 30 20 DBED CS(=O)(=O)c1ccc(C(=O)Cn2cnc(C#N)cc2=O)cn1 1412924259 YWBMOSOCYKFOPK-UHFFFAOYSA-N 318.314 -0.204 30 20 DBED Cc1cc(NC(=O)CN2CC(NC(=O)[C@@H](C)C#N)C2)n(C)n1 1421025576 NLABUYAQQOAUGB-VIFPVBQESA-N 304.354 -0.373 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@](C)(CNC(=O)Cn2ncnn2)C1 1432744588 GRBGPWYQQPPOAO-SMDDNHRTSA-N 319.369 -0.422 30 20 DBED Cc1cc(C#N)cnc1C(=O)N1CCN(CC(N)=O)C(=O)C1 1434071501 KOICNYVFIQBJHF-UHFFFAOYSA-N 301.306 -0.969 30 20 DBED N#C[C@H]1CN(C(=O)Nc2[nH]nnc2C(=O)N2CCCC2)CCO1 1434731618 JGJUWGQOMSZVPE-VIFPVBQESA-N 319.325 -0.203 30 20 DBED CC(=O)N(C)CC(=O)N1CCC(CNC(=O)[C@@H](C)C#N)CC1 1453792474 RYKWCNZAMANGFH-NSHDSACASA-N 308.382 -0.021 30 20 DBED CC(=O)N1CCC(C(=O)N2CC(NC(=O)[C@@H](C)C#N)C2)CC1 1456394158 KKNKQWBBBSDQHJ-JTQLQIEISA-N 306.366 -0.268 30 20 DBED COC(=O)C1(C#N)CCN(c2[nH]c(=O)n(C)c(=O)c2C#N)CC1 1458369767 LFNPDXSYIDMARZ-UHFFFAOYSA-N 317.305 -0.772 30 20 DBED C[C@@H](C#N)C(=O)N1CCCCC[C@@H]1CNC(=O)Cn1cnnn1 1487124321 STXJYMUBVJKNBL-NWDGAFQWSA-N 319.369 -0.280 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](C)CCNC(=O)CCn1ncn(C)c1=O 1495602632 FYGMOBKRRVBFGP-WDEREUQCSA-N 322.369 -0.857 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)CCC1CCOCC1 1533259250 OLPZFFOOJCGQLN-AAEUAGOBSA-N 311.382 -0.054 30 20 DBED C[C@@H](C#N)C(=O)NC1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1573577262 OGUIBCOBMOLNNY-ZETCQYMHSA-N 314.309 -0.705 30 20 DBED C#C[C@H](NC(=O)NCCn1cnc(-c2nn[nH]n2)n1)C(C)C 1588329436 GIQUBMFSWZXXNF-VIFPVBQESA-N 303.330 -0.585 30 20 DBED C#CCN(C)CCOCCNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 1588349767 YSWHMRKMFSDMPE-UHFFFAOYSA-N 317.353 -0.494 30 20 DBED C#C[C@@H]1CCCCN1C(=O)C(=O)N1CCC([C@H](O)C(=O)O)CC1 1588382352 NCYBDWCXULPYAV-OLZOCXBDSA-N 322.361 -0.315 30 20 DBED C#CCN1CCN(C(=O)CN2CCC[C@H](C)[C@H]2C(=O)O)CC1 1588429749 BVGOKXCUKRTWFT-ZFWWWQNUSA-N 307.394 -0.051 30 20 DBED C=CCn1c(C[C@@H](C)O)nnc1N1C[C@@H]2COC[C@]2(C(=O)O)C1 1588472895 SMWTXBIYVOKJKC-UEKVPHQBSA-N 322.365 -0.075 30 20 DBED N#CCNC(=O)CNC1(CNC(=O)[C@H]2C[C@@H]2C(=O)O)CCCC1 1601074663 LGVJCVPAEQCWRI-QWRGUYRKSA-N 322.365 -0.635 30 20 DBED C#C[C@@H]1CCCN(C(=O)C(=O)N2C[C@H](O)C[C@@H](C(=O)O)C2)C1 1602676811 ISZQPQKNCQJONY-IJLUTSLNSA-N 308.334 -0.848 30 20 DBED C[C@@](C#N)(CC(=O)O)C(=O)NCCN1CCC2(C1)OCCO2 1602780575 JCYZZSFTRHKPDU-ZDUSSCGKSA-N 311.338 -0.444 30 20 DBED COc1cc(C(=O)NCC(=O)NCC#N)ccc1-c1nn[nH]n1 1605196103 HPQFZFXSWITRSC-UHFFFAOYSA-N 315.293 -0.755 30 20 DBED C=CCOC[C@@H](NC(=O)c1nc2nccc(C)n2n1)C(=O)O 1609452259 CNBQZHXQCVUYKG-SECBINFHSA-N 305.294 -0.182 30 20 DBED CC(C)(C#N)CCN1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 1645658718 BSZSXHYVEXAKMJ-OLZOCXBDSA-N 315.439 -0.298 30 20 DBED COc1cc(C(=O)N2CCOC[C@H]2C#N)ccc1OCC(N)=O 1649706191 LHELMPLEFFAOEG-LLVKDONJSA-N 319.317 -0.076 30 20 DBED C[C@@H](NCC#N)[C@@H]1CCCCN1C(=O)CN1C(=O)CN(C)C1=O 1752157200 ODUPBLRSCQIRAQ-NEPJUHHUSA-N 321.381 -0.237 30 20 DBED CO[C@H](C(=O)N1CCC[C@@H](N(C)CC(=O)NCC#N)C1)C1CC1 1752990015 NYYLZILNWQVPMG-HIFRSBDPSA-N 322.409 -0.026 30 20 DBED C#CCNC(=O)CN1CC[C@@H](N(C)C(=O)C[C@@H]2CCOC2)C1 1753431802 JOJLGMNISGLDAM-UONOGXRCSA-N 307.394 -0.305 30 20 DBED C#CCN[C@H](C)[C@H]1CCCN(C(=O)CCNC(=O)COC)C1 1753793143 CYRWSRHQLWERFK-KGLIPLIRSA-N 309.410 -0.011 30 20 DBED C=CCNC(=O)CN(C)C[C@H](C)NC(=O)c1ccc(OC)nn1 1754330536 LWKCPUIJIDPSEJ-NSHDSACASA-N 321.381 -0.163 30 20 DBED COCC#CCN1CCC(C)(CNC(=O)c2nnn(C)n2)CC1 1754718795 NITDEHITURKQNT-UHFFFAOYSA-N 320.397 -0.308 30 20 DBED C#CCNC[C@@H]1CN(C(=O)Cc2nnn(C(C)(C)C)n2)CCO1 1754999490 ARHBXIPULKZHAI-GFCCVEGCSA-N 320.397 -0.579 30 20 DBED C#CCNC(=O)CN[C@H]1CN(C(=O)c2nccn2CC)C[C@@H]1C 1755109515 WJZXLRUKGLCJEK-STQMWFEESA-N 317.393 -0.298 30 20 DBED C[C@@H]1C[C@@H](NC(=O)c2ncc[nH]2)CCN1CC(=O)NCC#N 1755159830 KBEOZCIGKUGROM-MNOVXSKESA-N 304.354 -0.368 30 20 DBED C[C@@H](CNC(=O)CC[C@@H]1CCCN1C)N(C)CC(=O)NCC#N 1755304483 ZVYJQRURJWDYEC-KBPBESRZSA-N 323.441 -0.063 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H](CO)CNC(=O)c1cc(C)[nH]n1 1755624201 OBDIUYXIQVBEBO-GHMZBOCLSA-N 309.370 -0.911 30 20 DBED C[C@@H](NC(=O)C#CC1CC1)C1CN(C(=O)CC(=O)N(C)C)C1 1756150053 PFKZNOJMAPQBIJ-LLVKDONJSA-N 305.378 -0.159 30 20 DBED C#CCOCCC(=O)N(C)C[C@H](C)NC(=O)c1cnc(O)n1C 1756453221 KKEYQVMVUNHEQJ-NSHDSACASA-N 322.365 -0.258 30 20 DBED CC(C)C#CC(=O)NC[C@H](CO)NC(=O)c1cnn2c1CCC2 1756517291 GZLNMISEDMDMNE-GFCCVEGCSA-N 318.377 -0.304 30 20 DBED C#CCOCCC(=O)N1CC[C@H](C)[C@H](CNC(=O)C(N)=O)C1 1756808055 RNMZEXMFAJCHKI-NWDGAFQWSA-N 309.366 -0.888 30 20 DBED C=CCOCCCC(=O)N[C@@H]1CN(C(=O)c2ccon2)C[C@H]1O 1756988325 IXCJHRMZIKMMKX-CHWSQXEVSA-N 323.349 -0.041 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(C#N)c[nH]1)CCO2 1783055207 ULAFIGWAJVEBFR-MRXNPFEDSA-N 312.329 -0.037 30 20 DBED CO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CC1)C2 1801038939 CMYANNACGGKQPQ-RVMXOQNASA-N 321.377 -0.085 30 20 DBED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)COCCO)C1 1845210856 DYQGSPVBSVGOHU-CYBMUJFWSA-N 324.377 -0.763 30 20 DBED C#CC(=O)N1CCCC12CN(C(=O)CSCC(=O)OC)C2 1845958026 NIQYHAFZGCXFQM-UHFFFAOYSA-N 310.375 -0.271 30 20 DBED C=CCNC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 24562461 FLWWPCIGVMEMLK-UHFFFAOYSA-N 323.374 -0.277 30 20 DBED CN1CCN(C(=O)CNC(=O)c2ccc(C#N)cc2)CC1=O 156734904 SCPMMAGHVDYHQN-UHFFFAOYSA-N 300.318 -0.411 30 20 DBED C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ncnn2C)cc1 162982076 LVJJXCYWWQZZFG-UHFFFAOYSA-N 319.346 -0.021 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1CCN(CC(C)(C)O)CC1 171149857 MKKUPITWVDJWIR-LBPRGKRZSA-N 312.414 -0.225 30 20 DBED C/N=C(/NCCN1C(=O)CNC1=O)N[C@@H]1CN(C2CC2)C[C@@H]1C 261977903 ODPANZYKOSWMEF-CMPLNLGQSA-N 322.413 -0.814 30 20 DBED N#Cc1cc(F)c(C(=O)NCCN2CCNC(=O)C2)c(F)c1 272966345 YEXLDLOFQKXNAU-UHFFFAOYSA-N 308.288 -0.002 30 20 DBED C=CCN1CC[C@@H](N(C)CCC(=O)N2CCN(C)CC2)C1=O 282572421 VGYCWZVQBQXFNP-CQSZACIVSA-N 308.426 -0.131 30 20 DBED C/N=C(/O)NC1CN(/C(O)=N/C[C@@H]2CCCCS2(=O)=O)C1 328725658 ZFTXLVNQGMCVSP-JTQLQIEISA-N 318.399 -0.315 30 20 DBED CS(=O)(=O)N1CC[C@@H](C/N=C(/O)N2CCC[C@@H]2CO)C1 328751916 RTADRJUGSWWJSC-WDEREUQCSA-N 305.400 -0.361 30 20 DBED COCCN1CCCN(/C(O)=N/C[C@H]2COCCO2)CC1=O 329834076 LMKZIYUXYUZYLA-LBPRGKRZSA-N 315.370 -0.504 30 20 DBED CS(=O)(=O)N1CCC[C@@H](/N=C(/O)CN2CCOCC2=O)C1 329836748 HXVDTKDRRZRGRX-SNVBAGLBSA-N 319.383 -0.774 30 20 DBED C[C@@H](C(O)=Nc1ncccn1)N1CCN2C(=O)C(=O)NC[C@H]2C1 330133961 MFFFZEHLHMHEJG-UWVGGRQHSA-N 318.337 -0.904 30 20 DBED COC(=O)[C@@H]1CN(C(=O)[C@H](C)n2cnc(C#N)n2)C[C@H](C)O1 338198838 VAADVWWHDZOPPA-GUBZILKMSA-N 307.310 -0.500 30 20 DBED CN(C(=O)CNC(=O)c1ccc(C#N)cc1)[C@H]1COC[C@H]1O 342438468 OFLBXHMVGKOGEV-QWHCGFSZSA-N 303.318 -0.494 30 20 DBED N#CCNC(=O)CNC(=O)CNC(=O)c1ccc2c(c1)CCC2 343562186 YFLHWZSSDYVKRI-UHFFFAOYSA-N 314.345 -0.339 30 20 DBED C=CCN(C)C(=O)C(=O)NCCS(=O)(=O)N(CC)CC 344157541 IEDLSADBBFRBRG-UHFFFAOYSA-N 305.400 -0.581 30 20 DBED CCOCCOC[C@@H](O)CNS(=O)(=O)c1ccc(C#N)o1 344764260 VIZFMLYLRKPRSK-JTQLQIEISA-N 318.351 -0.156 30 20 DBED COC(=O)[C@@H]1CC[C@@H](NC(=O)NCCn2cnc(C#N)n2)C1 346328885 TUXMKQNHCSDUNX-NXEZZACHSA-N 306.326 -0.209 30 20 DBED COc1cc(C#N)ccc1OCC(=O)NCCOCC(N)=O 353288178 GPGWVIVVPPZRSV-UHFFFAOYSA-N 307.306 -0.436 30 20 DBED CCOC(=O)[C@](C)(O)CNC(=O)Nc1cc(C)n(CCC#N)n1 360165643 MTLCBYBKHWTKNQ-CQSZACIVSA-N 323.353 0.541 30 20 DBED N#CCCN(CCC#N)C(=O)CN1CCN2C(=O)OC[C@@H]2C1 370569427 ODFOXALHWYBLAT-LBPRGKRZSA-N 305.338 -0.221 30 20 DBED C=CCn1cc(CNS(=O)(=O)N(C)CCC(=O)OC)nn1 425177778 IFULNIBTLTWYOX-UHFFFAOYSA-N 317.371 -0.707 30 20 DBED CCN1CCN(C(=O)CNc2ccc(C#N)cn2)[C@@H](C)C1=O 428737634 YSSGDFDKDBHZDH-NSHDSACASA-N 301.350 0.444 30 20 DBED C#CCN1CCN(C(=O)CN2CC[C@@H](C)C[C@H]2C(N)=O)CC1 491047757 VSPDWTCTRHEHII-KGLIPLIRSA-N 306.410 -0.650 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CC[C@H](CC)O2)CC1 491126273 MNHSAMWZAIDJSV-UONOGXRCSA-N 307.394 -0.162 30 20 DBED C#C[C@@H](C)N(C)C(=O)NCCC(=O)N1CCN(C(C)=O)CC1 491668130 MCJXDVUCSVQRLX-GFCCVEGCSA-N 308.382 -0.270 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N1CC[C@@H]2NC(=O)OC[C@H]2C1 495646364 HOIIYKFVQNMRCM-AXFHLTTASA-N 316.383 -0.247 30 20 DBED C=CCOC[C@@H](NC(=O)C(C)(C)NC(=O)OC)C(=O)OC 496003423 BRCQDXIQBOYVDX-SECBINFHSA-N 302.327 -0.019 30 20 DBED CN1CCN(C(=O)C(=O)Nc2ccn(CCC#N)n2)CC1=O 531499669 VEKRZDVAZQKLJO-UHFFFAOYSA-N 304.310 -0.964 30 20 DBED C=CCN1CC[C@H](N(C)CCN2CCCS2(=O)=O)C1=O 531699667 YBHTUGFMJGQIQM-LBPRGKRZSA-N 301.412 -0.259 30 20 DBED CC[C@@](C)(C#N)NC(=O)CN1CCN(S(C)(=O)=O)CC1 531841916 RXZDLTJHNCYBBM-LBPRGKRZSA-N 302.400 -0.628 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N[C@@H](CO)CC2CCCC2)CCO1 572304850 AIGSRPAUPRHLGM-CHWSQXEVSA-N 317.411 -0.014 30 20 DBED N#Cc1c[nH]c(=O)n(Cc2nnn(CC(F)(F)F)n2)c1=O 583630666 NPQAUNJGIBLGAU-UHFFFAOYSA-N 301.188 -0.995 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)NC[C@@H](CO)CC2CC2)CCO1 594866941 VPYFTFLJJHGPJJ-NWDGAFQWSA-N 303.384 -0.546 30 20 DBED N#Cc1ccc(CCNC(=O)CN2CCS(=O)(=O)CC2)cc1 597893750 ZBFIUNVESQENSD-UHFFFAOYSA-N 321.402 -0.053 30 20 DBED N#CCCN1CCN(C(=O)CCNC(=O)[C@H]2CCCN2)CC1 601850848 HMUZMABBLVIFIE-CYBMUJFWSA-N 307.398 -0.697 30 20 DBED CCCN1CC[C@@H](NC(=O)C(=O)N2CCN(CCC#N)CC2)C1 602291005 GIOOGIODBQUPSC-CQSZACIVSA-N 321.425 -0.355 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCCc2ccoc2)C1=O 618476751 VAKURNQSZRZWDX-UHFFFAOYSA-N 305.290 -0.085 30 20 DBED C[C@H](C#N)N(CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)C1CC1 661557912 CJIKUOMVLSAXQK-MRVPVSSYSA-N 305.338 -0.775 30 20 DBED Cn1c(N)c(C=NNc2nccnc2Cl)c(=O)n(C)c1=O 749813864 FVCMHFUTSIPRSP-UHFFFAOYSA-N 309.717 -0.444 30 20 DBED C[C@@H](NS(C)(=O)=O)C(=O)OCC(=O)N(C)C(C)(C)C#N 758478240 SMLKDYUBEFJCKL-MRVPVSSYSA-N 305.356 -0.772 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@H](C)CN1CCOCC1)[C@H]1CCCO1 787758180 NECXYXXNXJBYIE-HZSPNIEDSA-N 323.393 -0.880 30 20 DBED O=C(CN1C(=O)c2ccccc2C1=O)N[C@@H]1CCCN(O)C1=O 816757389 RGBGEEPVRYTDDT-LLVKDONJSA-N 317.301 -0.221 30 20 DBED N#Cc1ncn(CC(=O)N2CCc3ccc(-c4nn[nH]n4)cc32)n1 826388216 NJJVOBPLMIRKMB-UHFFFAOYSA-N 321.304 -0.081 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)C2(SC)CC2)CC1 831568313 FVLIHPCJBGJKID-UHFFFAOYSA-N 317.436 -0.506 30 20 DBED C#CC[C@H]1NC(=O)N(CCS(=O)(=O)NCC2CCC2)C1=O 842242259 GJASXHBONUANBZ-LLVKDONJSA-N 313.379 -0.350 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)CCn2cccn2)CCN1C1CC1 866776064 CRNFVCJTBRENJK-CYBMUJFWSA-N 309.395 -0.115 30 20 DBED N#CCCN1CCN(C(=O)C(=O)N2CC[C@@]3(CCCN3)C2)CC1 868390974 DOUGBIICFSVSQD-INIZCTEOSA-N 319.409 -0.601 30 20 DBED C=C(C)C[C@H](CO)NS(=O)(=O)N(CCOC)CCOC 882850035 ZQYIVITUXLKSIM-GFCCVEGCSA-N 310.416 -0.257 30 20 DBED C#CC1(O)CN(C(=O)C[C@@H]2NC(=O)c3ccccc3NC2=O)C1 890528021 VAONCKRCFRQPHV-LBPRGKRZSA-N 313.313 -0.666 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)CS(=O)(=O)CC 920596405 SBBJCNSNFWVJDX-MRVPVSSYSA-N 306.340 -0.635 30 20 DBED CN(C(=O)Cn1nccn1)[C@@H]1CCN(C(=O)C#CC2CC2)C1 937351921 CSVCZMCAXFAHGX-CYBMUJFWSA-N 301.350 -0.249 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)[C@H]1CCC(=O)N1)CCO2 949051666 MFIPXWZXSULBSH-CYBMUJFWSA-N 305.378 -0.408 30 20 DBED C#CCCN1CC(N(CC)C(=O)c2cn(C)c(=O)n(C)c2=O)C1 952389625 GFVRSSKXQGQASS-UHFFFAOYSA-N 318.377 -0.746 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(C)(NC(=O)[C@@H]2COC(=O)N2)CC1 956357567 WBVYRCBEGLPVHK-UWVGGRQHSA-N 308.338 -0.248 30 20 DBED C#CCN1C[C@H](CNC(=O)c2nc(C)c(C)nc2O)[C@@H](O)C1 958179500 NVLJUFOCJOSDMJ-RYUDHWBXSA-N 304.350 -0.545 30 20 DBED COc1cc(OC)nc(C(=O)NC[C@H]2CN(CC#N)C[C@@H]2O)n1 958183335 MTLZLJKSRODBDE-UWVGGRQHSA-N 321.337 -0.960 30 20 DBED N#CCN1C[C@@H](O)[C@@H](CNC(=O)c2nnc3ccccc3n2)C1 958264538 XEAUDWQSVKKLGJ-GXFFZTMASA-N 312.333 -0.429 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C(F)F)C1 958377111 ZBYSJJMYZSIKQG-RCWTZXSCSA-N 318.320 -0.127 30 20 DBED Cc1cc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)nn1C 961792023 RSIQAPDJPZLRIT-FXAINCCUSA-N 305.338 -0.810 30 20 DBED Cc1c[nH]c(C(=O)NC[C@H]2COCCN2C(=O)[C@@H](C)C#N)n1 964198608 MPNOHKQVSWYFHY-ONGXEEELSA-N 305.338 -0.165 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCCN1C(=O)C(N)=O 964568451 DFDYXOGSMRRGAU-UTUOFQBUSA-N 309.366 -0.440 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CN(C(=O)c3csnn3)CCO2)C1 965430745 PQDLYTYFIHXFES-SECBINFHSA-N 321.362 -0.249 30 20 DBED C[C@@H](C#N)C(=O)N1CC(N2CCN(C(=O)[C@H]3CCOC3)CC2)C1 967193306 AFWFRVDBVCSUKV-STQMWFEESA-N 320.393 -0.462 30 20 DBED C[C@@H](C#N)C(=O)N1CC(N2CCN(C(=O)CC(C)(C)O)CC2)C1 967217130 PBAFWPWEAZFDMG-LBPRGKRZSA-N 322.409 -0.338 30 20 DBED CC#CCN1CC[C@@H](C)[C@H](NC(=O)c2cnc(O)n(C)c2=O)C1 967702880 WQCYQHASNRBABS-DGCLKSJQSA-N 318.377 -0.051 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@@H](NCCN3CCNC3=O)C2)[nH]1 968442062 NARLDPLWKQGFAL-GFCCVEGCSA-N 316.365 -0.284 30 20 DBED C=CCN1C[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C(C)(C)C1 975108690 CMEHUSSCVQGDRY-GFCCVEGCSA-N 320.393 -0.290 30 20 DBED C[C@H](NCc1nnnn1C)[C@@H]1CN(C(=O)C#CC2CC2)CCO1 979332833 LXISLPVLTZYPTK-AAEUAGOBSA-N 318.381 -0.671 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CC[C@H]3CN(C(=O)C(N)=O)C[C@@H]32)[nH]1 979908137 BDMWOMRUZXPWDB-INTQDDNPSA-N 315.333 -0.662 30 20 DBED C#CCN1CCCC2(C1)CN(C(=O)CCn1ncn(C)c1=O)C2 981914505 NNSYZHSATOEOJT-UHFFFAOYSA-N 317.393 -0.471 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H](N(C)C(=O)C(N)=O)C1 984265962 LXKPXYAAWHIAQB-UPJWGTAASA-N 323.393 -0.098 30 20 DBED C=C(C)CN[C@H]1CCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)[C@H]1C 987103402 HIWWFQYIDLABIT-QWRGUYRKSA-N 322.365 -0.438 30 20 DBED C#CCN[C@@H]1C[C@@H](C)N(C(=O)CN2CCCCS2(=O)=O)C1 989196336 UMGJOGXJTKUNFR-CHWSQXEVSA-N 313.423 -0.376 30 20 DBED O=C(N[C@@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1O)c1cocn1 991325122 BFAVCUGDFMPHBG-YPMHNXCESA-N 303.318 -0.220 30 20 DBED C#CCN1CC[C@]2(NC(=O)c3cn(C)c(=O)nc3O)CCC[C@@H]12 992493689 LHFWBUAWBFGBKZ-MLGOLLRUSA-N 316.361 -0.154 30 20 DBED C=CCCN1CCC[C@H](NC(=O)CN2CCNC(=O)C2)[C@H]1C 993706707 XTMOEUFOJWILRC-KGLIPLIRSA-N 308.426 -0.037 30 20 DBED N#CCN[C@@H]1CCCN(C(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 999790084 JOPVUYYKGYUBTO-PWSUYJOCSA-N 302.338 -0.530 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)Cc2cncn2C)C1 1000009693 SAYDXVZUQKXCGK-KGLIPLIRSA-N 318.377 -0.119 30 20 DBED N#CCN1CC[C@H](n2cc(CNC(=O)c3ccnnc3)nn2)C1 1000025154 OTYGMSGKSKTHMU-ZDUSSCGKSA-N 312.337 -0.232 30 20 DBED C=CCn1cc(C(=O)N2CCC[C@@H](N[C@@H](CC)C(N)=O)C2)nn1 1000412776 STNBJOOZQDREDU-NEPJUHHUSA-N 320.397 -0.078 30 20 DBED C#Cc1ccc(C(=O)NCC2CN(C(=O)Cc3nc[nH]n3)C2)nc1 1003468391 QOTNBWVCGRQLFE-UHFFFAOYSA-N 324.344 -0.388 30 20 DBED C#CCN1CCC(N(C)C(=O)c2cc(=O)n3[nH]cnc3n2)CC1 1006290784 UQXGRQYQOYLEQY-UHFFFAOYSA-N 314.349 -0.413 30 20 DBED N#Cc1ccc(C(=O)N2C[C@@H]3CCC[C@]3(NC(=O)C(N)=O)C2)[nH]1 1008191744 IKKOGSFJRLLDCJ-VFZGTOFNSA-N 315.333 -0.517 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCCN([C@H](C)C(=O)NC)C2)nn1 1008801276 VPNXEGOZAGIPBL-NEPJUHHUSA-N 320.397 -0.207 30 20 DBED O=C(C#CC1CC1)N1CCN(C(=O)CC2CS(=O)(=O)C2)CC1 1011110666 JRZFDJSUZHGHIK-UHFFFAOYSA-N 324.402 -0.495 30 20 DBED C#Cc1ccccc1CC(=O)N[C@@H]1C[C@@H](C)N(C(=O)C(N)=O)C1 1013964879 CGWKRRRSNKGCAS-BXUZGUMPSA-N 313.357 -0.199 30 20 DBED C[C@H](C#N)C(=O)N1CCCO[C@H](CNC(=O)c2cnnn2C)C1 1019577160 OVTXZWLMZKXZEF-GHMZBOCLSA-N 320.353 -0.678 30 20 DBED C#CCN1[C@H]2CC[C@H]1CC(NC(=O)[C@@H]1CCS(=O)(=O)N1)C2 1021463025 OUNDGRJEINPIJW-AVGNSLFASA-N 311.407 -0.577 30 20 DBED C#CCCN1CC(NC(=O)c2cnc3c(c2)NC(=O)CO3)C1 1030615577 NRYSSEQZZCVTEK-UHFFFAOYSA-N 300.318 -0.150 30 20 DBED N#Cc1c[nH]c(C(=O)NCC2CN([C@H]3CCCNC3=O)C2)c1 1031603208 LITJEKDGAFMCPL-ZDUSSCGKSA-N 301.350 -0.173 30 20 DBED N#CCN1CC(CNC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1 1031973046 UFQOCPIUKYPFOT-UONOGXRCSA-N 320.393 -0.272 30 20 DBED C=C(Cl)CN1CCO[C@@H](CNC(=O)C2CS(=O)(=O)C2)C1 1035386823 JGAPNCVHGKSMDX-NSHDSACASA-N 322.814 -0.400 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@]1(O)CCN(C(=O)c2cocn2)C1 1039722691 YCFZCOJLDIGZDA-XHDPSFHLSA-N 321.333 -0.594 30 20 DBED C=C(C)CCC(=O)NC[C@@]1(O)CCN(C(=O)CNC(N)=O)C1 1039951801 DVMSZHOFPLOHSM-AWEZNQCLSA-N 312.370 -0.909 30 20 DBED C=CCO[C@H](C)C(=O)NC[C@@]1(O)CCN(C(=O)c2cnon2)C1 1040161335 MBZKQIKCWGTEIF-YGRLFVJLSA-N 324.337 -0.646 30 20 DBED C#CCCCC(=O)N1CC[C@](O)(CNC(=O)CCN(C)C)C1 1040796419 WMOJKJHCJPFMBO-INIZCTEOSA-N 309.410 -0.179 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3[C@H]4COC[C@H]43)C2)nc1 1041272314 JDJRWZWEXPEWPE-OKWIKPQFSA-N 314.345 -0.489 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)c2cc(C)nn2C)C1 1041747211 VWMKNYNGZUFTED-UHFFFAOYSA-N 318.377 -0.165 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)[C@@H](C)S(C)(=O)=O)C1 1041973057 PSJSRYOEIIPCNH-SNVBAGLBSA-N 318.395 -0.925 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)c2cc(C#N)c[nH]2)C1 1042040867 ZQYHWFACMMCQRA-UHFFFAOYSA-N 318.333 -0.608 30 20 DBED CCCCOCC(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1042200802 DLCYOXQIKJFIJP-UHFFFAOYSA-N 308.378 -0.094 30 20 DBED CO[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1NC(=O)c1cc[nH]n1 1042764440 NZRDPLXLGSSBPJ-VXGBXAGGSA-N 313.321 -0.295 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(O)CN(C(=O)c2ncc[nH]2)C1 1042807635 XMRWZRGVALZPSY-ZDUSSCGKSA-N 308.338 -0.960 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)Cc2cc(C)nn2C)C1 1043861564 LWJNSOGYWIOKJE-UHFFFAOYSA-N 320.393 -0.073 30 20 DBED COCC1(C(=O)NCC2(O)CN(C(=O)C#CC3CC3)C2)CC1 1043864835 BRFITUFMDDFTPE-UHFFFAOYSA-N 306.362 -0.484 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)[C@H](C)c2cncnc2)C1 1045125686 AGSQBDMRLPHEKN-GHMZBOCLSA-N 317.349 -0.571 30 20 DBED C#CCN1CC[C@H](N2CCN(C(=O)Cc3cc[nH]n3)CC2)C1 1046018039 SWNURYDNZRYJBE-HNNXBMFYSA-N 301.394 -0.196 30 20 DBED C=CCN1CC[C@H](N2CC[C@@](C)(NC(=O)c3cnn[nH]3)C2)C1=O 1046441731 MYCFEAZUVDPMNC-SWLSCSKDSA-N 318.381 -0.214 30 20 DBED N#CCN1C[C@H]2CN(C(=O)[C@H]3CCCS(=O)(=O)C3)C[C@H]2C1 1049092392 CJTXFDMIZPHFQP-RWMBFGLXSA-N 311.407 -0.275 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)Cc2ccon2)C[C@@H]1O 1049388332 JNXCNOKKKDGYDB-DLOVCJGASA-N 306.322 -0.593 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C2(CF)CC2)C1 1049507545 AKYITNPYJFHTIQ-RYUDHWBXSA-N 314.357 -0.031 30 20 DBED N#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1nnc(O)nc1O 1049573236 RGTVHACXBBIYKL-DTWKUNHWSA-N 304.310 -0.515 30 20 DBED C#CCCN1CCOC[C@H]1CNC(=O)[C@@H]1CCNC(=O)CC1 1051045973 HGCVNBYMQQFDQI-UONOGXRCSA-N 307.394 -0.257 30 20 DBED N#Cc1ccc(C(=O)N2CCO[C@H](CN[C@H]3CCNC3=O)C2)[nH]1 1051554654 IAMKAYHFALMPIZ-NEPJUHHUSA-N 317.349 -0.795 30 20 DBED C[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1CNC(=O)Cn1cnnn1 1052549722 WPLSKCHYNDUNIP-WCQYABFASA-N 316.365 -0.703 30 20 DBED Cc1ccn(CC(=O)N2CCOC3(CN(CC#N)C3)C2)c(=O)c1 1053452850 IRZOYVRKNZNXOM-UHFFFAOYSA-N 316.361 -0.407 30 20 DBED C#CCN1CC2(C1)CN(C(=O)C(=O)N1CCC[C@@H]1CC)CCO2 1053500361 QFYIUEZHWQCSSC-AWEZNQCLSA-N 319.405 -0.066 30 20 DBED N#CCN1CC2(CC[C@@H](CNC(=O)c3cncnc3O)O2)C1 1053615327 JJCJDDZULXVYFC-JTQLQIEISA-N 303.322 -0.331 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)c3nccnc3N)CO2)C1 1053761293 YAMIZPONZSVROA-NSHDSACASA-N 301.350 -0.345 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)Cc3cn(CC)nn3)CO2)C1 1053878386 GHYXCQMVRXPYNV-CYBMUJFWSA-N 303.366 -0.567 30 20 DBED COCCC(=O)NC1CCN(CCNC(=O)[C@H](C)C#N)CC1 1055629630 FWNABTYNNKURSK-GFCCVEGCSA-N 310.398 -0.121 30 20 DBED CN1CCO[C@@H](C(=O)N2CCN(c3cncc(C#N)n3)CC2)C1 1055751072 NKXJOQCKOKNITK-CYBMUJFWSA-N 316.365 -0.673 30 20 DBED Cc1ncc(C(=O)N[C@]2(CO)CCCN(C(=O)[C@@H](C)C#N)C2)[nH]1 1055835125 HCTOKAQRSWCTKX-ZUZCIYMTSA-N 319.365 -0.039 30 20 DBED Cc1cnn(CC(=O)N(CCO)CCNC(=O)C#CC2CC2)c1 1057116154 SIRZSGXPCXMULB-UHFFFAOYSA-N 318.377 -0.458 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)CO[C@@H]1CCOC1 1057168497 IMIAJRGVCXBMRD-CYBMUJFWSA-N 314.382 -0.305 30 20 DBED COCc1cc(C(=O)N(CCO)CCNC(=O)[C@H](C)C#N)no1 1057623421 PBFJQLKFPJVDJM-SNVBAGLBSA-N 324.337 -0.469 30 20 DBED COc1cccnc1C(=O)NCCN(CCO)C(=O)[C@H](C)C#N 1058655027 OCJLGTICEDHFKI-LLVKDONJSA-N 320.349 -0.199 30 20 DBED C=C1CC(C)(C(=O)N(CCO)CCNC(=O)c2ncn(C)n2)C1 1058769947 NNVGCOWGCOROMH-UHFFFAOYSA-N 321.381 -0.278 30 20 DBED C[C@@]1(C(=O)N2CC[C@H](Nc3ccc(C#N)nn3)C2)CNC(=O)C1 1059007573 DHCHHJQSHNORNZ-NHYWBVRUSA-N 314.349 -0.113 30 20 DBED CN1CCC[C@H]1C(=O)N[C@H]1C[C@H](N=c2cc[nH]c(C#N)n2)C1 1059167286 LMYDXENSJNUJII-SRVKXCTJSA-N 300.366 -0.077 30 20 DBED C[C@@]1(C(=O)N[C@H]2C[C@H](N=c3cc[nH]cc3C#N)C2)CNC(=O)C1 1059355204 IHUXFZUEVQWLNL-MKBNYLNASA-N 313.361 -0.040 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1C[C@H](NC(=O)[C@H]2CCC(=O)NC2)C1 1059457737 PIRIVJNMBLORCX-DRZSPHRISA-N 313.361 -0.040 30 20 DBED CC(C)C#CC(=O)NC[C@H]1COCCN1C(=O)CC(=O)N(C)C 1061568672 NSYLBHOVBUIVQQ-ZDUSSCGKSA-N 323.393 -0.532 30 20 DBED CCNC(=O)CCC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H](C)C#N 1061848312 XYUNTRHTWSKZHV-RYUDHWBXSA-N 324.381 -0.594 30 20 DBED CN(C(=O)Cn1ncnn1)[C@@H]1CCN(c2ccc(C#N)cn2)C1 1062980359 KQKSCRCZIFSABJ-GFCCVEGCSA-N 312.337 -0.323 30 20 DBED C[C@@H]1CN(C(=O)CC(N)=O)CC[C@@H]1Nc1ccc(C#N)nn1 1063714119 TWEKQCNMNUEAGG-KOLCDFICSA-N 302.338 -0.127 30 20 DBED Cc1cc(C(=O)N2CCO[C@H](CNC(=O)[C@@H](C)C#N)C2)n(C)n1 1064918035 VJRIDEBMAOYTNF-CMPLNLGQSA-N 319.365 -0.155 30 20 DBED C#CCNC(=O)CC(=O)N1CCO[C@@H](CNC(=O)CCC=C)C1 1065063301 BBRFGMQGTBRHDL-ZDUSSCGKSA-N 321.377 -0.564 30 20 DBED CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CN(C(=O)C#CC(C)C)CCO1 1065124972 SDCLUGXUGRBXAK-GXTWGEPZSA-N 323.393 -0.486 30 20 DBED N#Cc1ccc(N2[C@H]3CC[C@H]2CN(C(=O)C(N)=O)CC3)nn1 1065163242 PPNOZJAWSADNRR-QWRGUYRKSA-N 300.322 -0.597 30 20 DBED C[C@]1(NC(=O)[C@@H]2CNC(=O)N2)CCN(c2ccnc(C#N)n2)C1 1065326310 OCXYXTCKQMEVGF-XPTSAGLGSA-N 315.337 -0.885 30 20 DBED CCCN(C)CC(=O)NC[C@H]1CN(C(=O)[C@@H](C)C#N)CCO1 1065557458 RDQXOUVQJMTHOT-STQMWFEESA-N 310.398 -0.169 30 20 DBED C[C@H](Nc1cnc(C#N)cn1)[C@H]1CCN(C(=O)CC(N)=O)C1 1065681042 SFIWSYDKVBVAKH-UWVGGRQHSA-N 302.338 -0.127 30 20 DBED C#CCCCC(=O)N1CCC[C@H](NC(=O)Cn2ncnn2)CC1 1066202775 SFSIWKRKCAEQIR-ZDUSSCGKSA-N 318.381 -0.026 30 20 DBED C#CCOCCC(=O)N(C)CCCN(C)C(=O)CNC(C)=O 1066663485 KCHHKFCGOPIFLA-UHFFFAOYSA-N 311.382 -0.531 30 20 DBED Cc1nn[nH]c1C(=O)N1CC2(C[C@H](NC(=O)[C@H](C)C#N)CO2)C1 1069008873 VYPLJNGHLNQQGW-SCZZXKLOSA-N 318.337 -0.628 30 20 DBED N#CCN1CCO[C@@H]2CCN(C(=O)c3ccc(C(N)=O)[nH]3)C[C@@H]21 1074340417 IVRANIXAFMGZDZ-QWHCGFSZSA-N 317.349 -0.448 30 20 DBED COc1cncc(C(=O)N2CC[C@H]3OCCN(CC#N)[C@H]3C2)n1 1074351292 KZQSPVWPPXUBFI-QWHCGFSZSA-N 317.349 -0.076 30 20 DBED C=CCOCC(=O)N1CCC(O)(CNC(=O)c2ncc[nH]2)CC1 1074516143 ZWXPRQMZCGSZAO-UHFFFAOYSA-N 322.365 -0.304 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CCN(C(=O)CNC(N)=O)[C@H](C)C1 1074972543 GUICKYBWXUWSIK-VXGBXAGGSA-N 308.382 -0.190 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)c1c[nH]nc1C 1077691379 GONAXPYNHYKHCO-JTQLQIEISA-N 319.365 -0.518 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)C(=O)N2CCC[C@H](C)C2)C1 1077790099 ZFDOUSNBZAOYSD-BFHYXJOUSA-N 307.394 -0.571 30 20 DBED C[C@@H](CCNC(=O)[C@H](C)C#N)NC(=O)c1nccnc1C(N)=O 1078139231 KIXMSYIYKOITNB-BDAKNGLRSA-N 318.337 -0.640 30 20 DBED C#CCN[C@H]1C[C@H]2CC[C@H]1N(C(=O)Cn1c(O)nnc1O)C2 1079094302 GNKHBCPTFPBUBQ-OUAUKWLOSA-N 305.338 -0.708 30 20 DBED C=CCCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CNC(C)=O)C1 1081204311 HRVAXKSOPHQHCI-QWHCGFSZSA-N 311.382 -0.586 30 20 DBED CNC(=O)[C@H](C)N1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@H](OC)C1 1081540683 MJAOCYMKTHZQLB-ZWKOPEQDSA-N 319.365 -0.550 30 20 DBED C=CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CN(C)CCO1 1083035310 LVHHJJZGIUXVKP-ZNMIVQPWSA-N 309.410 -0.195 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CCn2ccnc2C1 1083125198 IVSCWMFDQWOVHP-HZSPNIEDSA-N 315.377 -0.119 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CCc1nccn1C 1083151479 BATYJPOIAXYVRV-UONOGXRCSA-N 302.378 -0.103 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)[C@@H](C2CC2)N2CCOCC2)C1 1084079899 XWEXQQXGDKSWBX-OWCLPIDISA-N 323.437 -0.165 30 20 DBED C#CCN[C@@H]1CCCC[C@H]1NC(=O)c1cn(CC(N)=O)nn1 1085432100 IFFUAOJCLABART-GHMZBOCLSA-N 304.354 -0.973 30 20 DBED N#CCN1CC[C@H](NC(=O)c2cnn3ccncc23)[C@H](O)C1 1090328093 XYYQHMZQYLXLSZ-WCQYABFASA-N 300.322 -0.582 30 20 DBED CO[C@H](C)C(=O)N[C@@H]1CN(c2ccc(C#N)c(C)n2)C[C@H]1O 1090377824 MZIAFYOEIPLPHB-RAIGVLPGSA-N 304.350 -0.038 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(c2ncc(F)cn2)C[C@H]1O 1090489249 ZBLBOBMDFQABKS-MVWJERBFSA-N 308.313 -0.680 30 20 DBED N#Cc1ccc(F)cc1CN1CC[C@H](NC(=O)C(N)=O)[C@@H](O)C1 1090532075 QQXRXPMPJYZBNT-STQMWFEESA-N 320.324 -0.766 30 20 DBED CC(C)(O)CC(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@@H]1O 1091099981 YYXKJPPDTFPDJG-OLZOCXBDSA-N 304.350 -0.220 30 20 DBED N#Cc1cccnc1N[C@H]1C[C@@H](CNC(=O)Cn2cnnn2)C1 1091311212 YWGSCJHTBZXSTK-KLPPZKSPSA-N 312.337 -0.053 30 20 DBED N#Cc1cnc(N2CC[C@@]3(CNC(=O)C(N)=O)CCC[C@@H]23)cn1 1092712648 BEMFMXDIBAFGFM-IAQYHMDHSA-N 314.349 -0.301 30 20 DBED CCn1nc(C(=O)NCCN=c2cc[nH]c(C#N)n2)ccc1=O 1093792215 KPHDIRFUHJZYMC-UHFFFAOYSA-N 313.321 -0.811 30 20 DBED Cn1cnnc1COCC(=O)NCCN=c1cc[nH]cc1C#N 1093838026 LMKLHQLPNRFLHU-UHFFFAOYSA-N 315.337 -0.751 30 20 DBED C#CCCN1CC(N2C[C@@H](NC(=O)c3ccncn3)CC2=O)C1 1094799623 MTIWCOOKDPBHNP-LBPRGKRZSA-N 313.361 -0.485 30 20 DBED N#Cc1nccnc1N(CCCNC(=O)CC(N)=O)C1CC1 1096018104 XQDIDJBHLXUETB-UHFFFAOYSA-N 302.338 -0.301 30 20 DBED Cn1nnc2c(N3CC[C@@H](NC(=O)C#CC4CC4)C3)ncnc21 1096365046 QTJAPJATBKSSTA-LLVKDONJSA-N 311.349 -0.133 30 20 DBED N#Cc1cncc(N[C@H](CNC(=O)Cn2ncnn2)C2CC2)n1 1096731143 MLGJHKQDOWSCMQ-LLVKDONJSA-N 313.325 -0.658 30 20 DBED C[C@H](CNC(=O)[C@H]1CCNC(=O)C1)Nc1cnc(C#N)cn1 1097774413 QGQQLWMSDIYCIR-ZJUUUORDSA-N 302.338 -0.209 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CCS(=O)(=O)C1)Nc1ccc(C#N)nn1 1098136433 HDIBEYSYJRMHTM-VHSXEESVSA-N 323.378 -0.300 30 20 DBED C=CCN1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2NC(=O)NC2=O)C1 1098881286 KWFHFCQDERWEDB-PGUXBMHVSA-N 306.366 -0.259 30 20 DBED C[C@@H](CCNC(=O)C1(C(N)=O)CC1)Nc1cnc(C#N)cn1 1099658016 BMCSXYLKSNNLAH-VIFPVBQESA-N 302.338 -0.080 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)c2n[nH]cc2C)[C@@H](O)C1 1099813832 VISPJENKBOXUIX-RYUDHWBXSA-N 321.381 -0.815 30 20 DBED CN(CCNC(=O)[C@H]1CNC(=O)N1)c1ncc(C#N)cc1Cl 1100308508 FVCINXQUKIEUJS-SNVBAGLBSA-N 322.756 -0.160 30 20 DBED C#CCNC(=O)CC(=O)NCCN(CC)c1nccc(C)n1 1100492774 QEIVRYYUBSLIDB-UHFFFAOYSA-N 303.366 -0.133 30 20 DBED CCN(CCNC(=O)[C@H]1CCNC(=O)C1)c1ccc(C#N)nn1 1100498783 GYDJNRFQTOBSCC-NSHDSACASA-N 316.365 -0.183 30 20 DBED CCN(CCNC(=O)c1nnn(C)n1)c1ncc(C#N)cc1F 1100679294 QOVLVUXYZQCLNE-UHFFFAOYSA-N 318.316 -0.128 30 20 DBED CCNC(=O)CC(=O)N1C[C@H]2CN(CC#CCOC)C[C@@]2(C)C1 1101206372 CXZOFGILSXSDTO-PBHICJAKSA-N 321.421 -0.057 30 20 DBED CN(CCNc1cnc(C#N)cn1)C(=O)[C@H]1CC[C@@H]1C(N)=O 1101893107 QXAQTCBBENCLIY-QWRGUYRKSA-N 302.338 -0.270 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)[C@]1(C)CCNC(=O)C1 1102034607 MDGBNOFVHRUQDQ-OAHLLOKOSA-N 316.365 -0.443 30 20 DBED C[C@H](NC(N)=O)C(=O)N(C)[C@@H]1CCN(c2cncc(C#N)n2)C1 1102700710 WYOUGFKANZXXMC-GXSJLCMTSA-N 317.353 -0.558 30 20 DBED C[C@H](CN=c1cc[nH]cc1C#N)CNC(=O)Cn1cnnc1O 1103958386 OEGWKHHQYIIWPF-SNVBAGLBSA-N 315.337 -0.463 30 20 DBED C[C@@H](CNc1cnc(C#N)cn1)N(C)C(=O)C1CS(=O)(=O)C1 1104698488 YJHXJWGKIXRKKN-VIFPVBQESA-N 323.378 -0.348 30 20 DBED Cc1cc(=NC[C@@H](C)N(C)C(=O)[C@@H]2CNC(=O)N2)c(C#N)c[nH]1 1104785006 LCBVVBQKTCKDMQ-MFKMUULPSA-N 316.365 -0.376 30 20 DBED C[C@@H]1OCCO[C@@H]1C(=O)N1CC(n2cc(CNCC#N)nn2)C1 1105262279 SJHVDQSGDBFFCS-GWCFXTLKSA-N 320.353 -0.922 30 20 DBED Cc1ccc(C#N)c(N(C)CCN(C)C(=O)[C@@H]2CNC(=O)N2)n1 1105541059 LQKZSPOHNTTYCF-LBPRGKRZSA-N 316.365 -0.162 30 20 DBED C[C@@H](C(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1)n1cccc1 1105788309 IMJVXAAVDHSPBQ-NWDGAFQWSA-N 314.349 -0.278 30 20 DBED Cc1ncoc1C(=O)NC[C@H](O)CNc1ccc(C#N)nn1 1105807173 BLTIQJRNEGINAF-SNVBAGLBSA-N 302.294 -0.153 30 20 DBED N#Cc1cnc(NC[C@H](O)CNC(=O)CCCC(N)=O)c(F)c1 1105882146 CTKPIQAHBIQKOH-SNVBAGLBSA-N 323.328 -0.363 30 20 DBED CN1CCC(C(=O)NC[C@@H](O)CN=c2cc[nH]c(C#N)n2)CC1 1105883706 XQWUAUWZMYIUKE-LBPRGKRZSA-N 318.381 -0.999 30 20 DBED Cc1n[nH]c(C)c1C(=O)NC[C@@H](O)CNc1cncc(C#N)n1 1105934295 HGMLEBVLCSFDHM-NSHDSACASA-N 315.337 -0.109 30 20 DBED C[C@]1(C(=O)NC[C@H](O)CNc2ccc(C#N)cn2)CNC(=O)C1 1106028805 YITKPNAIJPSPEM-IAQYHMDHSA-N 317.349 -0.632 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@@H]1CN(C(=O)CC(C)(C)O)C[C@H]1C 1106070945 LEAIGLIFOITGGY-MGPQQGTHSA-N 323.437 -0.031 30 20 DBED C[C@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)[C@@H]1COCCO1 1106233879 OWBDGPMOQLOSTP-MNOVXSKESA-N 305.338 -0.508 30 20 DBED C[C@@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)c1cnnc(O)c1 1106480447 MITPAPJJVBBTJB-VIFPVBQESA-N 313.321 -0.114 30 20 DBED CCN(CCNc1nccnc1C#N)C(=O)CNC(=O)OC 1106684176 HGFXJSPDEGZAEM-UHFFFAOYSA-N 306.326 -0.035 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C[C@H]1C 1106708167 KKUPJPJTQXRGBU-UTUOFQBUSA-N 306.366 -0.708 30 20 DBED N#Cc1nc(=NC/C=C/CNC(=O)Cc2cncnc2)cc[nH]1 1107171840 IFFHKPNBOMIJBZ-OWOJBTEDSA-N 309.333 -0.113 30 20 DBED C[C@H](CNc1ccc(C#N)nn1)NC(=O)C(=O)NCC1CC1 1107906235 YOIFSNIXEOPNOS-SECBINFHSA-N 302.338 -0.209 30 20 DBED Cn1nnc(CN2CCO[C@](C)(CNC(=O)C#CC3CC3)C2)n1 1107932461 LKVXUSPDTKOHLQ-OAHLLOKOSA-N 318.381 -0.669 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)[C@@H]2CCCN2C(N)=O)C1 1108439559 OGWZIFYKMDONGA-WFASDCNBSA-N 308.382 -0.630 30 20 DBED C[C@H](CN(C)c1ccc(C#N)nc1)NC(=O)c1nnn(C)n1 1109179222 NQQCLZXNHREVET-SECBINFHSA-N 300.326 -0.269 30 20 DBED CC(=O)N(C)CC(=O)N[C@H]1[C@H]2C[C@H]1N(c1nccnc1C#N)C2 1109682536 HOZXWVVSURNXSA-SUHUHFCYSA-N 314.349 -0.480 30 20 DBED CNC(=O)CC(=O)N[C@@]1(C)CCN(c2ccc(C#N)nn2)C1 1110746208 ZUIIWPFIHMJHOL-AWEZNQCLSA-N 302.338 -0.431 30 20 DBED CO[C@@H](C)CC(=O)N(C)[C@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1111175896 ZQSPKOGJOBOIAJ-DRZSPHRISA-N 319.365 -0.219 30 20 DBED CCCN(C)CC(=O)N(CCO)CCN=c1cc[nH]cc1C#N 1111492553 FGDLIAXMTYXGIP-UHFFFAOYSA-N 319.409 -0.050 30 20 DBED COCCCNC(=O)CN1CCN(C(=O)C#CC(C)C)CC1 1112832298 OZHRAXNLEFSWIE-UHFFFAOYSA-N 309.410 -0.057 30 20 DBED Cn1[nH]c(CN2CCN(C(=O)C#CC(C)(C)C)CC2)nc1=O 1112832366 SQUQROKOMJBPFO-UHFFFAOYSA-N 305.382 -0.198 30 20 DBED COCC#CCN1CCN(C(=O)COCc2nncn2C)CC1 1113483162 VSMWGOMZBBNKAB-UHFFFAOYSA-N 321.381 -0.874 30 20 DBED C[C@H](CNC(=O)c1nnn(C)n1)N(C)c1ccnc(C#N)n1 1113814695 JWEORAFDEJIERD-MRVPVSSYSA-N 301.314 -0.874 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3ccnc(F)c3)[C@H]2C1 1113979113 DXYWVJNQLUQDFT-RYUDHWBXSA-N 316.336 -0.370 30 20 DBED COCCc1nc(CN2C[C@H]3[C@H](NC(=O)[C@H](C)C#N)[C@H]3C2)no1 1114066376 BXYQIVQCFMBQKO-PUHVVEEASA-N 319.365 -0.035 30 20 DBED C#CCCN1C[C@H]2C(NC(=O)[C@H](Cn3cccn3)N(C)C)[C@@H]2C1 1114405684 YHVNSGWDTJWZAZ-KFWWJZLASA-N 315.421 -0.117 30 20 DBED CC(=O)NCC(=O)NC[C@H]1[C@@H]2CN(c3nccnc3C#N)C[C@H]12 1114503577 PZTRQLNIMYHTPH-CNDDSTCGSA-N 314.349 -0.717 30 20 DBED N#CCNC(=O)CN1C[C@@H]2C(NC(=O)CCc3ccon3)[C@H]2C1 1114570637 ISZNRCDHSNCGBI-RYUDHWBXSA-N 317.349 -0.707 30 20 DBED N#Cc1cnc(N2C[C@@H]3C(CNC(=O)Cn4nccn4)[C@H]3C2)cn1 1114580814 UMTZKOQQKSQYPL-CHWSQXEVSA-N 324.348 -0.562 30 20 DBED C[C@@H](CN(C)C(=O)CS(C)(=O)=O)N=c1cc[nH]cc1C#N 1115632101 IAYXIWNFPCLOCV-JTQLQIEISA-N 310.379 -0.321 30 20 DBED C=CCOC[C@H](NC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)OC 1116886457 SLUNZGIGEDRCCK-ZJUUUORDSA-N 305.352 -0.719 30 20 DBED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1ccn(CCN(C)C)n1 1116921458 BBELKVIAVSLDJQ-GFCCVEGCSA-N 321.381 -0.726 30 20 DBED CC[C@]1(O)CCN(C(=O)C(=O)NC2CCN(CC#N)CC2)C1 1117281020 ISVVFCOWBDCMBM-HNNXBMFYSA-N 308.382 -0.536 30 20 DBED CC(=O)N[C@H](C)C(=O)NC[C@H](CO)Nc1ccc(C#N)cn1 1121176886 AJKSQMDOQYFRPT-BXKDBHETSA-N 305.338 -0.633 30 20 DBED CC(C)(C)C(=O)C(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1 1121228088 BIAFCMOCIAMDRU-SECBINFHSA-N 305.338 -0.726 30 20 DBED C[C@H](OCC1CC1)C(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1 1121278458 KHABRPSMRUYRNK-JQWIXIFHSA-N 319.365 -0.526 30 20 DBED Cc1ccc(C(=O)NC[C@H](CO)Nc2cncc(C#N)n2)nn1 1121446287 JLIDKVASZNOEGB-LLVKDONJSA-N 313.321 -0.351 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)Cc2ccc[nH]2)nn1 1121621956 CQQBQQZSNQZWCS-LBPRGKRZSA-N 300.322 -0.192 30 20 DBED CC(=O)NC(C)(C)C(=O)NC[C@@H](CO)N=c1cc[nH]cc1C#N 1121777767 MIRUAZXQMLEYQQ-LBPRGKRZSA-N 319.365 -0.821 30 20 DBED N#Cc1cnc(N[C@@H](CO)CNC(=O)[C@@]2(F)CCOC2)cn1 1122411521 QOPSLKGUCQYCPD-ZWNOBZJWSA-N 309.301 -0.634 30 20 DBED N#Cc1cncc(N[C@@H](CO)CNC(=O)CCc2cn[nH]c2)n1 1122704758 QFQQLRKTPUSNPQ-GFCCVEGCSA-N 315.337 -0.407 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)c1cnccn1 1122840834 UFSXWMAUJVOJJB-UHFFFAOYSA-N 303.366 -0.003 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@@H]1CCCc2n[nH]cc21 1127327193 HRZARGRXXZLLNI-LLVKDONJSA-N 303.366 -0.715 30 20 DBED C=CCCO[C@H](C)C(=O)N[C@@H]1CN(CCO)C[C@@H]1n1ccnn1 1128784745 GJAHSOQQIRELPH-MCIONIFRSA-N 323.397 -0.407 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(CCCOC)C[C@@H]1n1ccnn1 1128811812 FCCDTVNJSNWFLY-KGLIPLIRSA-N 323.397 -0.141 30 20 DBED C#CCC1(C(=O)NCCNCc2nncn2C)CCOCC1 1129116956 NYRNCOCZUZGARN-UHFFFAOYSA-N 305.382 -0.159 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)C[C@H](C)n1ccc(C)n1 1132308245 AANXOLDHXZAJES-KBPBESRZSA-N 319.409 -0.014 30 20 DBED C#CCNC[C@@H]1CN(C(=O)CCNS(C)(=O)=O)CC[C@H]1C 1132864900 FEKPFTVSJAVYAY-CHWSQXEVSA-N 315.439 -0.367 30 20 DBED C[C@@H]1CCN(C(=O)c2cnon2)C[C@H]1CNCC(=O)NCC#N 1133181969 LVQMGDFLIOTDHW-GHMZBOCLSA-N 320.353 -0.603 30 20 DBED C#CCOCCC(=O)N[C@H](C)C[C@@H](C)NCCS(C)(=O)=O 1134350983 AGJNGWVEEFOPKZ-CHWSQXEVSA-N 318.439 -0.056 30 20 DBED C#CCOCCC(=O)N[C@H](C)C[C@H](C)NCCN1CCNC1=O 1134351638 IQUMLFKASUBXHS-UONOGXRCSA-N 324.425 -0.076 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)COC1CCOCC1 1134636966 ZORCXNZLZRJMSY-GFCCVEGCSA-N 311.382 -0.974 30 20 DBED C#CCN[C@H](C)C[C@H](C)NC(=O)CCCn1c(O)nnc1O 1134784389 SYVUOIIYKACBDC-MNOVXSKESA-N 309.370 -0.024 30 20 DBED C=CCCn1cc(C(=O)N[C@H](C)C[C@H](C)NCC(N)=O)nn1 1135667485 UBPXWKSFITXONX-WDEREUQCSA-N 308.386 -0.174 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)[C@]2(COC)CCOC2)C1 1150036168 NCJNXCYMEJKPKM-ZBFHGGJFSA-N 310.394 -0.120 30 20 DBED C#CCCN1CCCO[C@H](CNC(=O)COCCN(C)C)C1 1150587432 HODLOHFXLKILOE-OAHLLOKOSA-N 311.426 -0.205 30 20 DBED N#CCN1CCCO[C@@H](CNC(=O)CNC(=O)C2CCC2)C1 1150777030 CGJCKDNIJKNJEK-ZDUSSCGKSA-N 308.382 -0.367 30 20 DBED C#CCN(CC)[C@H](C)CNC(=O)Cn1nc2ccccn2c1=O 1154549687 XIZMYMKPOCZRHS-CYBMUJFWSA-N 315.377 -0.044 30 20 DBED C[C@H](NCCCNC(=O)c1cc(C#N)c[nH]1)c1nnnn1C 1156282370 UIBNVLJLQMPNSI-VIFPVBQESA-N 302.342 -0.119 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)[C@@H]2CCNC(=O)C2)C1=O 1156516370 DPEFOFNXCFZPST-OLZOCXBDSA-N 322.409 -0.605 30 20 DBED C#CCNC(=O)CC(=O)NCCCNCCn1nc(C)cc1C 1156847617 BRXFKUFOAZENAA-UHFFFAOYSA-N 319.409 -0.265 30 20 DBED CC(C)C#CC(=O)NCCCNCC(=O)NC(=O)NC1CC1 1157632223 DJSVRRHYEOVRRJ-UHFFFAOYSA-N 308.382 -0.270 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)[C@H]1CC(=O)N(CC)C1 1159276114 JOQHICKTPFMYST-STQMWFEESA-N 324.425 -0.359 30 20 DBED C#CCNC(=O)CNCCCNC(=O)CN(C)CC(C)(C)C 1166744444 XINUYZBYDDBPBS-UHFFFAOYSA-N 310.442 -0.190 30 20 DBED CN(C)CCCC(=O)NCCC1(CNCC(=O)NCC#N)CC1 1166890728 QQICNSXSDIBPNT-UHFFFAOYSA-N 323.441 -0.156 30 20 DBED C#CCCNCC1(CCNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 1167207026 BAGGNUKJJNCYPI-QWHCGFSZSA-N 307.394 -0.081 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@H]1CCC[C@H](C(N)=O)C1 1167505068 RGQJBXNZYAGWRH-STQMWFEESA-N 322.409 -0.877 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)Cc2ncc[nH]2)C1=O 1169205522 YOSVKNATKGZXFQ-GFCCVEGCSA-N 305.382 -0.165 30 20 DBED C=CCOCCNCCCNC(=O)c1nccnc1C(N)=O 1175642262 NRNYJBQSCJSTLM-UHFFFAOYSA-N 307.354 -0.512 30 20 DBED COCC#CCN1CCO[C@@H]2CCN(C(=O)c3cnn[nH]3)C[C@H]21 1177042682 QYKIHXHLALKOCK-ZIAGYGMSSA-N 319.365 -0.630 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)CN2CCOCC2)[C@H]1C 1178486096 ZGONSMJQJWVXNB-KBPBESRZSA-N 324.425 -0.800 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2cn(C)c(O)n2)[C@H]1C 1179468075 VUBSAGOWJJLEML-QWRGUYRKSA-N 319.365 -0.932 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2c(C)ncn2C)C1 1183450733 XWRIUPLCIBTMPE-CHWSQXEVSA-N 317.393 -0.329 30 20 DBED C=CCNC[C@@H]1CCN(C(=O)CNS(=O)(=O)NC)C[C@H]1C 1184893520 WYRBSSUEBPTXDS-NEPJUHHUSA-N 318.443 -0.700 30 20 DBED C[C@@H]1CN(C(=O)CS(=O)(=O)N(C)C)CC[C@H]1CNCC#N 1185603557 FEQQRBUFMWCQHD-NEPJUHHUSA-N 316.427 -0.524 30 20 DBED CN(CC(=O)NCC#N)[C@H]1CCN(C(=O)c2cn(C)cn2)C1 1189642525 SCJZWUCFYVAZLP-NSHDSACASA-N 304.354 -0.794 30 20 DBED CN(CCNS(C)(=O)=O)[C@@H]1CCN(C(=O)C#CC2CC2)C1 1190036869 PMBDPYZOHGQXRF-CYBMUJFWSA-N 313.423 -0.518 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2cncn2C)C[C@H]1O 1192844121 JAEQFOXHXWEYDQ-MRVWCRGKSA-N 306.366 -0.880 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)[C@H](F)C(F)(F)F)C1 1193130612 NBKJYYRPYPEPIK-BBBLOLIVSA-N 312.263 -0.302 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)Cc2cnn(C)c2C)C1 1193613278 VYUCROZTQOZITJ-HUUCEWRRSA-N 320.393 -0.918 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)CCC(C)(F)F)C1 1194210560 BPRDQJNTRWZRQN-GHMZBOCLSA-N 317.336 -0.668 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCCN(C(=O)[C@H](C)OCC#C)CC1 1195807856 YVGNKSDEDSXYON-CABCVRRESA-N 319.405 -0.303 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)CC(C)(F)F)C1 1196003790 GSSMCYJZOWKJRG-GMTAPVOTSA-N 319.352 -0.116 30 20 DBED C=CCNC(=O)[C@@H](C)NC[C@H]1CN(C(=O)COC)CCCO1 1199601958 XVJHKLYSBBVOHY-OLZOCXBDSA-N 313.398 -0.469 30 20 DBED COCC#CCNCC1CCN(C(=O)[C@@H]2CC(=O)N(C)C2)CC1 1205412880 BPIFXLVLUBLGCX-OAHLLOKOSA-N 321.421 -0.057 30 20 DBED CN(C)CCC(=O)N1CCC(CNCC(=O)NCC#N)CC1 1206145825 GOJVOVMLVXGXDF-UHFFFAOYSA-N 309.414 -0.594 30 20 DBED C#CCNCC1CCN(C(=O)c2cn(C)c(=O)nc2O)CC1 1206925076 HYRQMYLMYXSEFR-UHFFFAOYSA-N 304.350 -0.439 30 20 DBED C#CCOCCC(=O)N1CCC[C@@H](N[C@@H]2CCC(=O)NC2=O)C1 1208032013 ILAIANKJMAJGCC-CHWSQXEVSA-N 321.377 -0.588 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@@]23COC[C@@H]2C3)C1 1208084500 PPDORRZLVBZPBI-ZENOOKHLSA-N 307.394 -0.094 30 20 DBED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)C(C)(F)F 1211761911 RFLDWMLJNOCEOR-RKDXNWHRSA-N 304.297 -0.903 30 20 DBED C=CCOCCN1C[C@@H](NC(=O)[C@@H]2COCCO2)[C@H](OC)C1 1211891783 SQUPMKYXJRVTAG-MCIONIFRSA-N 314.382 -0.580 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)[C@H]2CCOC2)[C@H](OC)C1 1211972407 LNISPSLYFHMEJY-YNEHKIRRSA-N 311.382 -0.860 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2cncn2C)C[C@H]1OC 1212255543 MTRCLVISVIXNTL-BPLDGKMQSA-N 320.393 -0.226 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)c2cncn2C)C[C@H]1C 1215073514 UKQQKNKALDQPSA-VXGBXAGGSA-N 303.366 -0.780 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)CCc2cnn[nH]2)C1 1220392010 VQEZZWZXWAQQJO-OLZOCXBDSA-N 309.370 -0.899 30 20 DBED C[C@H](C(N)=O)N1C[C@H](O)[C@H](NC(=O)CC#Cc2ccccc2)C1 1221046203 BLQYJINFABFZEQ-YUELXQCFSA-N 315.373 -0.537 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(CCc2cnn(C)c2)C[C@@H]1O 1221139515 BIIALZZRLITPSH-CABCVRRESA-N 322.409 -0.283 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@H](C(C)C)N2CCCC2=O)C1 1221164391 GGKNLLYNJOTTHT-YCPHGPKFSA-N 321.421 -0.182 30 20 DBED COC[C@H](C#N)OC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 1320925179 RGRNSHVORJVIQD-AMOVGVPESA-N 308.290 -0.769 30 20 DBED N#CC1(NC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 1321995434 OYOAWAXOSYCHGB-UWVGGRQHSA-N 311.363 -0.806 30 20 DBED C[C@H](NC(=O)NCC(=O)NCC#N)c1nnc2ccccn12 1323372814 CEBUKSJCSLNNLO-VIFPVBQESA-N 301.310 -0.271 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCO[C@@H]([C@H]2CCCO2)C1 1323698370 JOLOVBZKSAZJQZ-CHWSQXEVSA-N 310.350 -0.841 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)N[C@H]2CCCc3c[nH]nc32)CCO1 1324667199 UKTVZAYKIHQZDT-QWRGUYRKSA-N 303.322 -0.346 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N1C[C@H](C)N(CCO)[C@H](C)C1 1325272900 BYXMCUNSDBNBRE-GASCZTMLSA-N 319.405 -0.615 30 20 DBED C#CCSCCNC(=O)N1C[C@H](O)C[C@@H](C(=O)OC)C1 1325974826 DMQFMLVFXHUARM-GHMZBOCLSA-N 300.380 -0.082 30 20 DBED C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](CC#N)C2)C[C@@H](CO)O1 1327394890 ZRPBUXKQMSCDSW-AGIUHOORSA-N 309.366 -0.253 30 20 DBED N#Cc1ccccc1CN1C(=O)N[C@H](CCS(N)(=O)=O)C1=O 1327927179 YLHCCJGGWGIFHY-LLVKDONJSA-N 322.346 -0.343 30 20 DBED Cn1ncc(CCCNC(=O)C(=O)Nc2cccc(C#N)n2)n1 1328225042 WJDOJUYBGKUEGM-UHFFFAOYSA-N 313.321 -0.231 30 20 DBED C=CCCSCCNC(=O)C(=O)N1CC[C@@H](NC(N)=O)C1 1328236544 SXNAZTNAXLJLFQ-SNVBAGLBSA-N 314.411 -0.319 30 20 DBED C[C@@H]1CC[C@@H](CNC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)O1 1331040316 FBIMPWXOCGITAB-XBFCOCLRSA-N 320.393 -0.131 30 20 DBED C=CCn1c(CCc2nn[nH]n2)nnc1N1CCO[C@H](C)C1 1342038614 SKQIQZYILOEBKS-SNVBAGLBSA-N 304.358 -0.013 30 20 DBED N#C[C@H](C(=O)N1CCS(=O)(=O)CC1)C(=O)[C@@]1(F)CCOC1 1343388264 ZQGAWKVVBZPCMA-JOYOIKCWSA-N 318.326 -0.919 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)NCCc1ccco1 1344855031 LNJWIWKTQMBWQD-UHFFFAOYSA-N 314.363 -0.345 30 20 DBED CNC(=O)CCN(C)C(=O)C(=O)NCCc1ccc(C#N)cc1 1346922466 UBROVXJQMVQACY-UHFFFAOYSA-N 316.361 -0.189 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)NCC2CCS(=O)(=O)CC2)C1 1364568087 DTIPNEFBEPJGMU-CYBMUJFWSA-N 315.395 -0.129 30 20 DBED N#CCC1(CS(=O)(=O)NCCC(=O)N2CCOCC2)CC1 1365632586 WPQHGMKHBDQVTN-UHFFFAOYSA-N 315.395 -0.151 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H]1CNC(=O)CCn1ccnn1 1374001556 ILYRPUCPQATOAZ-VXGBXAGGSA-N 304.354 -0.065 30 20 DBED C[C@@H](CNC(=O)CNC(=O)N1CCCC1)N(C)C(=O)[C@H](C)C#N 1380728575 YQWWKSSWEPBDTM-NEPJUHHUSA-N 323.397 -0.085 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CCN(C(=O)c2ccn3nnnc3c2)C1 1385616371 WXGHDRTZOCHAFE-ONGXEEELSA-N 313.321 -0.385 30 20 DBED Cc1nn(C)c(=O)c(C(=O)NC[C@H](C)NC(=O)[C@H](C)C#N)c1C 1386417351 VHRVUSOPLILBPO-BDAKNGLRSA-N 319.365 -0.209 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNCc1cccc(C(N)=O)c1 1392366266 PHLHRLMJGHDBEX-GXFFZTMASA-N 304.350 -0.488 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](NC(=O)CCn1cnnn1)C(C)(C)C 1396152751 SRLJNHSYRHJMSM-GHMZBOCLSA-N 321.385 -0.130 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@H](NCc2nnc3n2CCOC3)C1 1398545458 VZBZDGXMZRAZCP-GMTAPVOTSA-N 304.354 -0.295 30 20 DBED COc1ncccc1C(=O)NC[C@H](O)CNC(=O)[C@@H](C)C#N 1399854767 BCGRKSDIYAQWAK-VHSXEESVSA-N 306.322 -0.543 30 20 DBED C[C@H](C#N)C(=O)N(C)CCN1CCN(Cc2cnn(C)n2)CC1 1400209972 ZXUWVQBJRLEBDL-CYBMUJFWSA-N 319.413 -0.449 30 20 DBED CC(C)Cn1ccc(C(=O)NC[C@H](O)CNC(=O)[C@H](C)C#N)n1 1410133199 OOUCHMVJRRUPOE-VXGBXAGGSA-N 321.381 -0.094 30 20 DBED C[C@H](C#N)C(=O)NC[C@]1(C)CCN(C(=O)c2ncn(C)n2)C1 1411064721 VFCIGTQBKBGELA-YGRLFVJLSA-N 304.354 -0.057 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CCN(C(=O)c2cnn(C)c2N)C1 1415302797 QONMGTKBHZXPNF-VHSXEESVSA-N 304.354 -0.260 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNCC1(CS(C)(=O)=O)CC1 1420118883 YQOPKSVWVJBLSJ-GHMZBOCLSA-N 317.411 -0.962 30 20 DBED Cc1c(C#N)c(=O)n(CC(=O)NC(=O)NC(C)(C)C)c(=O)n1C 1421435153 FBGLPCJCDINCMB-UHFFFAOYSA-N 321.337 -0.649 30 20 DBED C[C@@H](C#N)C(=O)NC[C@](C)(NC(=O)CS(C)(=O)=O)C1CC1 1451266553 TXXRNQNRWQNHKA-ZANVPECISA-N 315.395 -0.408 30 20 DBED CN(Cc1nnc2c(=O)[nH]ccn12)C(=O)c1cnccc1C#N 1455294438 WHHDAUWXQHNICU-UHFFFAOYSA-N 309.289 -0.044 30 20 DBED CCN(CCC#N)C(=O)CNC[C@H](C)NC(=O)c1ccncn1 1483276547 SLDOWMDMXOGKLK-LBPRGKRZSA-N 318.381 -0.053 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@H]1CCCN1C(=O)c1ccnnc1 1499928173 PDIWRLIIBZIHFQ-GXTWGEPZSA-N 315.377 -0.191 30 20 DBED CC(=O)N1CCC[C@@H](C(=O)N2CC(NC(=O)[C@H](C)C#N)C2)C1 1530618521 TXHBYLUSIFNFBD-ZYHUDNBSSA-N 306.366 -0.268 30 20 DBED N#C[C@@H]1COCCN1C[C@H](O)CC1(O)CCC(C(=O)O)CC1 1574242357 UWDCZOLRYSIFJJ-DNCHLWJUSA-N 312.366 -0.032 30 20 DBED C[C@@H](N)C1(C(=O)N2CCN(C(=O)CC#N)CC2)CCOCC1 1576101758 AHXWHMWLCVDTKI-GFCCVEGCSA-N 308.382 -0.285 30 20 DBED C=C(CCC(=O)O)C(=O)N1CCC(NS(N)(=O)=O)CC1 1588614416 UPAVSQSYXFPPNY-UHFFFAOYSA-N 305.356 -0.809 30 20 DBED C=C(CCC(=O)O)C(=O)N[C@H](CC1OCCO1)C(=O)OC 1588622222 RQOHLYFHJFPSHK-SECBINFHSA-N 301.295 -0.172 30 20 DBED CN(CCCc1[nH]nc(N)c1-c1nn[nH]n1)C[C@H](O)CC#N 1591089808 AMLFGQHUTWNSSL-MRVPVSSYSA-N 305.346 -0.689 30 20 DBED C[C@H](O)CN(C(=O)C(=O)N1CCC(C#N)(C(=O)O)CC1)C1CC1 1593446620 KRHYINMGBMWPCN-JTQLQIEISA-N 323.349 -0.425 30 20 DBED C#CCN(CC(=O)O)S(=O)(=O)C[C@@]12CCCN(CC1)C2 1602699456 VHFGYTOGQFCSGD-ZDUSSCGKSA-N 300.380 -0.178 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)O)C2)CCO1 1608180426 ZFMJGLFMRYNQCR-KLBPJQLPSA-N 315.351 -0.702 30 20 DBED CS(=O)(=O)N1CC[C@H](NC(=O)N2CC[C@](O)(CC#N)C2)C1 1645898268 DDKBNJSIACHHRJ-CMPLNLGQSA-N 316.383 -0.920 30 20 DBED N#CCNC(=O)CN[C@@H]1CCC[C@H](NC(=O)c2cc[nH]n2)C1 1752965120 MAZBZAMRPBAUBM-MNOVXSKESA-N 304.354 -0.320 30 20 DBED C=CCCN[C@H](C)CCNC(=O)c1cn(C)c(=O)n(C)c1=O 1753014536 OLYKNTANQHJEOH-LLVKDONJSA-N 308.382 -0.242 30 20 DBED CC(C)N(CCCNC(=O)c1ccnnc1)CC(=O)NCC#N 1753299298 FFLVBFBQQKNFQC-UHFFFAOYSA-N 318.381 -0.053 30 20 DBED C#CCNC(=O)CNC[C@H](C)CNC(=O)c1ccnc(O)c1 1753610219 PBUWRONOEJLEEZ-NSHDSACASA-N 304.350 -0.508 30 20 DBED C#CCNC(=O)CN(C)CCN(C)C(=O)c1coc(OCC)n1 1753856570 MTVCCEOGUUQAIS-UHFFFAOYSA-N 322.365 -0.174 30 20 DBED CCOCCNC(=O)CN(C)C[C@H](C)NC(=O)C#CC1CC1 1754309781 CCDBEDPZQMWDFY-ZDUSSCGKSA-N 309.410 -0.011 30 20 DBED C[C@H](C#N)C(=O)N(C)CCCNCc1nnc2n1CCOC2 1754363264 PACPVTKZKTZHOE-LLVKDONJSA-N 306.370 -0.094 30 20 DBED C#CCNC(=O)CN1CC[C@]2(CCN(C(=O)c3cc[nH]n3)C2)C1 1754562038 ILSLJYDMCZTUQC-INIZCTEOSA-N 315.377 -0.303 30 20 DBED N#CCNC(=O)CN1CC(O)(CNC(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 1754769472 BFDMTEIXECCBNV-JHJVBQTASA-N 320.393 -0.775 30 20 DBED C=CCN(C)[C@@H](C)CNC(=O)c1cn(CC(=O)N(C)C)nn1 1755329088 WBKQXXQTQZAAEN-NSHDSACASA-N 308.386 -0.398 30 20 DBED COCC#CCN1CC(CCO)(NC(=O)c2nccs2)C1 1755337592 LVRAKIVUONISSD-UHFFFAOYSA-N 309.391 -0.041 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(CNC(=O)COC(C)C)[C@H]2C1 1755418827 ZLHJZOORDMNBFA-ZIAGYGMSSA-N 307.394 -0.545 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@H]1[C@@H]2CN(Cc3cnn(C)n3)C[C@H]12 1755420691 NNPPEYABMHYXPC-AYDFFVQHSA-N 319.409 -0.064 30 20 DBED CCNC(=O)CN[C@@H](C)[C@@H]1CN(C(=O)C#CC(C)C)CCO1 1755441746 JUVRGZMDNYJCHD-KBPBESRZSA-N 309.410 -0.013 30 20 DBED C#CCNC[C@H]1C[C@H](NC(=O)CCS(=O)(=O)N(C)C)C1 1755483299 JYMAKNXFRNKMSP-HAQNSBGRSA-N 301.412 -0.615 30 20 DBED C#CCN1CCC(C(=O)N[C@H]2C[C@H](CN[C@@H](C)C(N)=O)C2)CC1 1755483317 KNCSTAQYVWMTGO-YDHLFZDLSA-N 320.437 -0.310 30 20 DBED Cc1c[nH]nc1C(=O)N(C)[C@H](CNCC(=O)NCC#N)C1CC1 1755570901 LJPOWLLULNLBAV-GFCCVEGCSA-N 318.381 -0.202 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCCN(Cc2nnnn2C)[C@H]1C 1755719421 YVDXUZKELYOWAE-QWHCGFSZSA-N 320.397 -0.281 30 20 DBED C=CCNC(=O)CNC[C@H](NC(=O)c1cnn(C)n1)C(C)(C)C 1755835322 UVWMZDBYKBDABK-LBPRGKRZSA-N 322.413 -0.149 30 20 DBED CNC(=O)CC(=O)N[C@H](C)CN(C)C(=O)CSCC#N 1756431850 KRLKVJKSVJJALM-SECBINFHSA-N 300.384 -0.658 30 20 DBED CCn1cc(C(=O)NC[C@@H](O)CN(C)C(=O)C#CC2CC2)nn1 1756663395 VBSGZDLQDIBOJC-GFCCVEGCSA-N 319.365 -0.740 30 20 DBED C=CCC(C)(C)C(=O)N1C[C@H](O)[C@H](NC(=O)c2cn(C)nn2)C1 1757169794 KALGODIKWZQNFJ-PWSUYJOCSA-N 321.381 -0.281 30 20 DBED C[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncc[nH]1)C2 1800982751 RFRWVYJUFIKKHF-CHWFTXMASA-N 324.406 -0.069 30 20 DBED CCC(=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1 1839829329 WNRKETFKXVKKGB-OAHLLOKOSA-N 323.349 -0.664 30 20 DBED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)O)C2)C1 1840175885 KUFZLUCBCVAGNK-DOMZBBRYSA-N 312.366 -0.600 30 20 DBED COC(=O)N1CCC(NS(=O)(=O)N(C)CCC#N)CC1 48978886 MCOJFGGSAZQKNB-UHFFFAOYSA-N 304.372 -0.103 30 20 DBED N#Cc1cccc(S(=O)(=O)N2CCN3C(=O)NC[C@H]3C2)c1 91756234 VEEFQIAWKAFQCZ-NSHDSACASA-N 306.347 -0.044 30 20 DBED CCN(C[C@H](C)C#N)C(=O)CN1CC[C@H](S(=O)(=O)NC)C1 155663909 GVSPGGMDXNDQOF-NEPJUHHUSA-N 316.427 -0.382 30 20 DBED COCCNC(=O)CNS(=O)(=O)Cc1ccc(C#N)cc1 157872460 QWZTUIYWUDUTBU-UHFFFAOYSA-N 311.363 -0.260 30 20 DBED N#Cc1ccc(S(=O)(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)cc1 268329464 IGOHURDAPXJBAV-CMPLNLGQSA-N 309.347 -0.131 30 20 DBED C[C@@H](O)CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 269385796 AIAJCROKPULLJL-NXEZZACHSA-N 311.363 -0.278 30 20 DBED C=C[C@H](CO)NC(=O)c1cc(S(=O)(=O)N(C)C)cn1C 290600436 NBCPVKUKRVQUIU-SECBINFHSA-N 301.368 -0.448 30 20 DBED C[C@H](CO)CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 291375781 VFFDVCBMKCFCAV-JTQLQIEISA-N 311.363 -0.419 30 20 DBED C=C[C@@H](CO)NC(=O)NCc1ccc(S(N)(=O)=O)cc1C 291512011 JTQGMTXJLNERIY-NSHDSACASA-N 313.379 -0.011 30 20 DBED CCN1CCC[C@H]1CN/C(N)=N/CCCNS(=O)(=O)CC 303971849 FETVHNNYRLYBHS-LBPRGKRZSA-N 319.475 -0.296 30 20 DBED CN1CCOC[C@@H]1/C(O)=N/[C@@H]1CCCN(S(C)(=O)=O)C1 328941772 LEIWSIQZHJBEJX-GHMZBOCLSA-N 305.400 -0.303 30 20 DBED O=S1(=O)C[C@H](/N=C(/O)c2cn[nH]c2)[C@@H](N2CCOCC2)C1 329169003 IZDXMVFGHDUUGR-QWRGUYRKSA-N 314.367 -0.788 30 20 DBED Cn1cc2c(n1)CCC[C@@H]2N/C(O)=N/CCS(N)(=O)=O 330393138 KDBKAMHFOVBZIV-VIFPVBQESA-N 301.372 -0.410 30 20 DBED N#C[C@H]1CN(S(=O)(=O)NCC(=O)Nc2ccccc2)CCO1 337085701 ZQQNMHNMFJEBIH-LBPRGKRZSA-N 324.362 -0.316 30 20 DBED CC(=O)NCC(=O)N1C[C@H](C#N)[C@]2(C1)C(=O)Nc1ccccc12 338361351 YXQRPDNCDLVCAI-ZBEGNZNMSA-N 312.329 -0.005 30 20 DBED C[C@@H](C(=O)NC1(C#N)CCC1)N1CCN(S(C)(=O)=O)CC1 345743555 YBFQWBLUUSTGFT-NSHDSACASA-N 314.411 -0.485 30 20 DBED CN(CC(=O)NC1(CO)CC1)S(=O)(=O)c1ccc(C#N)cc1 348016773 YJTUQMOTRSUBBJ-UHFFFAOYSA-N 323.374 -0.180 30 20 DBED CN(CC(=O)NCC#N)C[C@@H]1C[C@H](F)CN1Cc1ccnn1C 348098981 GLRLBNUJTUETEN-JSGCOSHPSA-N 322.388 -0.096 30 20 DBED COC(=O)c1cn(C2CN(C(=O)c3cc(C#N)c[nH]3)C2)nn1 354700244 IWXDOWDFFIFRLQ-UHFFFAOYSA-N 300.278 -0.038 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(C)C2CCNCC2)C1=O 428299789 FRLPEPJGHQBNJJ-UHFFFAOYSA-N 308.338 -0.826 30 20 DBED C#CCN1CCN(C(=O)CN2CC(=O)N[C@@H]3CCCC[C@H]32)CC1 490829639 CZZBHOGECKSKFU-HUUCEWRRSA-N 318.421 -0.493 30 20 DBED C#CCN1CCN(C(=O)CN2CCC[C@H](OCCOC)C2)CC1 490900623 XENVLBSKSTZVQY-INIZCTEOSA-N 323.437 -0.109 30 20 DBED C#CCN1CCN(C(=O)CN2CCOCC(F)(F)C2)CC1 491640279 ZTTFTZAXDLUWSB-UHFFFAOYSA-N 301.337 -0.269 30 20 DBED C[C@H](C#N)CNC(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1 518421262 RISHVLVONSHFGB-KGLIPLIRSA-N 322.409 -0.024 30 20 DBED N#Cc1ccc(S(=O)(=O)N[C@H](C(=O)O)[C@@H]2CCOC2)o1 558473724 MPYSUKQHOJDLPI-XCBNKYQSSA-N 300.292 -0.081 30 20 DBED N#Cc1cncc(N2CCN(S(=O)(=O)c3cc[nH]n3)CC2)n1 563036609 LRWSPFCCXXRIPZ-UHFFFAOYSA-N 319.350 -0.418 30 20 DBED COCCN(CCC#N)S(=O)(=O)N(CCOC)CC(=O)O 579691782 DFUNMEARFPMFBF-UHFFFAOYSA-N 323.371 -0.874 30 20 DBED Cn1c(NCCC(=O)Nc2ncc[nH]2)c(C#N)c(=O)n(C)c1=O 596268991 PLELOOKRGFPJRM-UHFFFAOYSA-N 317.309 -0.881 30 20 DBED C=C[C@@H]1OCC[C@H]1NC(=O)[C@H]1CCCN(S(N)(=O)=O)C1 615847688 HDEJEJDKRGBNCG-AXFHLTTASA-N 303.384 -0.638 30 20 DBED CN1C[C@H](NC(=O)NCCNc2ncccc2C#N)CC1=O 750637016 HKVJMXAYSGDUEH-LLVKDONJSA-N 302.338 -0.105 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@H]1CCc2n[nH]cc2C1)[C@@H]1CCCO1 788484130 IGEFUNXGYBHDCS-OBJOEFQTSA-N 316.361 -0.320 30 20 DBED N#CCc1cccc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)O)c1 794909683 UUKLLTJWPQYVIZ-ZYHUDNBSSA-N 310.331 -0.039 30 20 DBED C=CCOCCOC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 797295790 VESWTQIZQLIUTH-FPQZTECRSA-N 309.318 -0.105 30 20 DBED C=CCN1CC[C@@H](N(C)Cn2nnc3c(cnn3C)c2=O)C1=O 799142478 ULMPJUQMAYNDNE-LLVKDONJSA-N 317.353 -0.799 30 20 DBED C#Cc1cncc(C(=O)NCCS(=O)(=O)N2CCOCC2)c1 806714875 JHQQLFYKNJSXKV-UHFFFAOYSA-N 323.374 -0.545 30 20 DBED C[C@](C#N)(CC(=O)O)C(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 819832360 AYYWHWWIAYDKPE-BXKDBHETSA-N 317.367 -0.611 30 20 DBED CN(C)C(=O)Cn1cnc(NC(=O)[C@@](C)(C#N)CC(=O)O)n1 820530305 AAHHKFGAZVMWEE-GFCCVEGCSA-N 308.298 -0.691 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)C(C)(C)C(F)F)CC1 831574524 IUJOPXBUZHUSEG-UHFFFAOYSA-N 323.365 -0.111 30 20 DBED CN(C)S(=O)(=O)c1ccc(C(=O)N[C@H]2CNC[C@H]2C#N)cn1 834501063 ZEHDXANAVCUKSJ-MNOVXSKESA-N 323.378 -0.827 30 20 DBED CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)N[C@@H]1CNC[C@@H]1C#N 852875751 OZIYYUVPGHKIRS-MVWJERBFSA-N 314.411 -0.679 30 20 DBED C#CCN(CC(=O)N1C[C@H](O)[C@@H](CO)C1)C(=O)OC(C)(C)C 854910070 NYNZILUUZCESOO-NEPJUHHUSA-N 312.366 -0.332 30 20 DBED C#CC1(O)CN(C(=O)[C@H]2CN(C(=O)OC(C)(C)C)CCN2C)C1 890527040 JBDHYHGKZYQPJI-GFCCVEGCSA-N 323.393 -0.256 30 20 DBED N#Cc1cc(C(=O)N[C@H]2CCN(C(=O)[C@@H]3CCNC3=O)C2)c[nH]1 937853539 OWADPOAEUGWWAU-CMPLNLGQSA-N 315.333 -0.647 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@H](NC(=O)c2nnc(O)nc2O)C1 938349362 GVJVDKJTBDPYEM-QMMMGPOBSA-N 321.337 -0.174 30 20 DBED O=C(C#CC1CC1)N1CCCN(C(=O)Cn2cncn2)CC1 941003652 DHVXEQWURQVWFR-UHFFFAOYSA-N 301.350 -0.248 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](NC(=O)c2ccn3nnnc3c2)C1 941986135 HJWMKMKLHRRXGT-GXSJLCMTSA-N 313.321 -0.385 30 20 DBED Nc1nccnc1C(=O)N[C@H]1[C@H]2C[C@H]1N(C(=O)C#CC1CC1)C2 946829632 XIYQJBNTOZHPTE-LOWVWBTDSA-N 311.345 -0.199 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CN2C(=O)CNC2=O)C[C@@H]1C 948013232 UNCOADQJIPIKBZ-NWDGAFQWSA-N 306.366 -0.469 30 20 DBED NC(=O)CN1CCOC2(CCN(C(=O)C#CC3CC3)CC2)C1 949366028 QPODFGLOSUEBJR-UHFFFAOYSA-N 305.378 -0.422 30 20 DBED C[C@@H](C#N)C(=O)N1CC(N(C)C(=O)c2cc(C(N)=O)co2)C1 955321439 SKNUYMNNPBFARL-QMMMGPOBSA-N 304.306 -0.179 30 20 DBED C=CCn1cccc1C(=O)N[C@]1(C)CCN(C(=O)C(N)=O)C1 957133753 WRMATHGCULUJHN-OAHLLOKOSA-N 304.350 -0.120 30 20 DBED C#CCCN1C[C@@H](O)[C@@H](CNC(=O)c2cc(OC)n(C)n2)C1 958244149 OWKMTQLXTRFCLL-WCQYABFASA-N 306.366 -0.526 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](CNC(=O)c2ccc(=O)n(C)n2)C1 958650526 XGPUNIODIOJRRT-TZMCWYRMSA-N 320.393 -0.231 30 20 DBED CC#CCN1C[C@@H](O)[C@@H](CNC(=O)c2nn(CC)nc2C)C1 958744645 RVTYPRJEFOAEFJ-QWHCGFSZSA-N 305.382 -0.348 30 20 DBED COCCN1C[C@@H](C(=O)N[C@H]2[C@@H]3CN(CC#N)C[C@@H]32)CC1=O 960162547 FRCGMYAQPHLPIA-CIQGVGRVSA-N 306.366 -0.949 30 20 DBED C#CCCN1C[C@H]2[C@H](NC(=O)C[C@H]3CCS(=O)(=O)C3)[C@H]2C1 960894782 UTSNHUNUVHGIJG-CXTNEJHOSA-N 310.419 -0.119 30 20 DBED C=CCCN1C[C@@H]2C(NC(=O)c3cn(C)c(=O)n(C)c3=O)[C@H]2C1 961929541 GCARQUDBUFMWFS-QWRGUYRKSA-N 318.377 -0.680 30 20 DBED O=C(N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O)[C@H]1CCCCO1 962308756 CFLRPLHWDBFVDA-HZSPNIEDSA-N 306.362 -0.343 30 20 DBED CN(C(=O)Cn1ccc(O)nc1=O)C1CCC(NCC#N)CC1 963640231 KIXXEKWSMBXKFM-UHFFFAOYSA-N 319.365 -0.168 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CN(C(=O)c3ccnnc3)CCO2)C1 965503952 UESNIDVBDCRASH-LLVKDONJSA-N 315.333 -0.310 30 20 DBED C=CCn1cc(C(=O)N2CC3(C[C@@H](NC(=O)CC)CO3)C2)nn1 965591900 PKUFSLRQTOAPIM-LLVKDONJSA-N 319.365 -0.026 30 20 DBED Cc1ccncc1CC(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1O 968348246 VVMDAYJHSXSVJC-YUTCNCBUSA-N 316.361 -0.220 30 20 DBED C[C@H](NC(=O)c1ccc(S(N)(=O)=O)o1)C1CN(CC#N)C1 970047449 KKOTZHMQEGTKSZ-QMMMGPOBSA-N 312.351 -0.499 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)OC)C[C@@H]2O)c1 970409535 RNSHOYRKIHVJOG-HONMWMINSA-N 317.345 -0.601 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@@]3(CN(CC(N)=O)CCO3)C2)c1 972323736 LJMIPWRPDLHYQZ-OAHLLOKOSA-N 317.349 -0.711 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CCC(=O)N3)C2)c1 973145084 SAIQSZCMVQINTL-DCAQKATOSA-N 315.333 -0.458 30 20 DBED COc1ccc(C(=O)N[C@H]2[C@@H]3CN(C(=O)[C@@H](C)C#N)C[C@@H]32)nn1 977180614 SZOIGCMRVCCYFE-QISWUMQESA-N 315.333 -0.169 30 20 DBED CC#CCN1C[C@@H](NC(=O)Cn2c(O)nnc2O)C(C)(C)C1 977513043 KGYLNYRQBBGGDY-SNVBAGLBSA-N 307.354 -0.461 30 20 DBED C#CCCN1C[C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C(C)(C)C1 977606367 VEIWHZYAEOJITI-VXGBXAGGSA-N 313.423 -0.472 30 20 DBED C=CCN1C[C@H]2[C@H](CNC(=O)[C@@H]3Cc4cncn4C(=O)N3)[C@H]2C1 978520069 HYVISFAPQDUNDU-FQUUOJAGSA-N 315.377 -0.155 30 20 DBED C#CCN1C[C@H]2[C@H](CNC(=O)C3CCS(=O)(=O)CC3)[C@H]2C1 978824114 LASSRXRNPDJWQH-ZSOGYDGISA-N 310.419 -0.262 30 20 DBED N#CCN1C[C@H]2C[C@@H](NC(=O)c3nnc(O)nc3O)CC[C@H]2C1 980146744 URIAQTMHBGAXPH-AEJSXWLSSA-N 318.337 -0.363 30 20 DBED C=CCN[C@H]1CCC[C@@H](NC(=O)CN2CCN(C)C(=O)C2)C1 981182241 PPOFHUCPFKZXRG-UONOGXRCSA-N 308.426 -0.037 30 20 DBED C#CCN[C@H]1CCC[C@H](NC(=O)CN2CC(=O)N(C)C2=O)C1 981456069 IARVIROBRYRJAE-RYUDHWBXSA-N 306.366 -0.469 30 20 DBED C=CCn1cc(C(=O)N2CCCN([C@@H](C)C(=O)NC)CC2)nn1 982117600 CHTADYVTENJWOU-LBPRGKRZSA-N 320.397 -0.254 30 20 DBED N#Cc1ccc(C(=O)NC2CN(C(=O)CCc3cnn[nH]3)C2)[nH]1 990893014 OEAKTLQPLBVSBN-UHFFFAOYSA-N 313.321 -0.422 30 20 DBED CN1CCN(CC(=O)N[C@]23CCC[C@@H]2N(CC#N)CC3)CC1=O 991473376 OFDZSKAQRJLQPB-BBRMVZONSA-N 319.409 -0.603 30 20 DBED C=CCn1cc(C(=O)NC2CN(C(=O)C[C@H]3CCOC3)C2)nn1 991672628 DELYCUYFKDQRTR-LLVKDONJSA-N 319.365 -0.169 30 20 DBED C#CCN1CC[C@@]2(NC(=O)CN3C(=O)CN(C)C3=O)CCC[C@H]12 992472991 JQMMQAFQJLMLKV-LRDDRELGSA-N 318.377 -0.373 30 20 DBED C=CCCn1cc(C(=O)N2C[C@@H](NCC(N)=O)C(C)(C)C2)nn1 996398976 MWXOSEDJFXGDCG-GFCCVEGCSA-N 320.397 -0.220 30 20 DBED N#CCN1CCN(C2CCC(NC(=O)c3nc[nH]n3)CC2)CC1 996789588 QCUIXGQGNISONQ-UHFFFAOYSA-N 317.397 -0.013 30 20 DBED C#CCOc1ncccc1C(=O)N(C)C1CC(NCC(N)=O)C1 999711200 URROLWWKJDDHMR-UHFFFAOYSA-N 316.361 -0.229 30 20 DBED C[C@@H]1CN(C)C[C@H](C(=O)NCC2CN(C(=O)C#CC3CC3)C2)O1 1002884294 NAMCOJSNWTXCJT-IUODEOHRSA-N 319.405 -0.307 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H]1CN(C)C(=O)c1nnn(C)n1 1002930941 LAGGTNHSMQPKRK-NXEZZACHSA-N 305.342 -0.567 30 20 DBED N#Cc1ccc(C(=O)N2CC(CNC(=O)[C@@H]3CCNC3=O)C2)[nH]1 1003553821 PSCLWYNVVVBHCW-LLVKDONJSA-N 315.333 -0.789 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCC1CN(C(=O)c2cnn(C)n2)C1 1004520324 AOOFWKNPZUFWSD-YPMHNXCESA-N 319.365 -0.406 30 20 DBED C=C(C)CCN1CCC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C1 1009635743 LVBOWIZUJRSSSJ-GFCCVEGCSA-N 320.397 -0.076 30 20 DBED Cn1ncc(C(=O)NC2[C@H]3CN(C(=O)C#CC4CC4)C[C@H]23)c1N 1012992396 VFWYVIRIVZYMSM-RYUDHWBXSA-N 313.361 -0.398 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1[C@@H]2CN(C(=O)C(F)F)C[C@@H]12 1013320424 WEGRBALJPDTBJN-MXWKQRLJSA-N 311.332 -0.078 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2C[C@H](C)N(C(=O)C(N)=O)C2)cn1 1013967649 SBDDPXUKCVGKSI-CABZTGNLSA-N 300.318 -0.733 30 20 DBED C[C@H](C#N)C(=O)N1CCC2(CN(C(=O)[C@@H]3COC(=O)N3)C2)C1 1018986470 IANXLKGSMJYMNH-ZJUUUORDSA-N 306.322 -0.685 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2CCCN(CC(=O)NC)C2)nn1 1023637400 KMKMYZLMHDCIFK-GFCCVEGCSA-N 320.397 -0.348 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2ccc(F)cn2)C1 1024332410 HEQADVJYOGFQBR-ZWKOPEQDSA-N 320.324 -0.389 30 20 DBED Cn1cc(C(=O)N2C[C@@H]3CC[C@@H](NCC#N)[C@H]3C2)ncc1=O 1026316730 HXDSQWAVLNIPDW-SDDRHHMPSA-N 301.350 -0.256 30 20 DBED N#Cc1ccc(C(=O)NC2CN(C[C@@H](O)Cn3cccn3)C2)[nH]1 1030227107 RDBCLNFEXBQXFV-CYBMUJFWSA-N 314.349 -0.442 30 20 DBED C=CCn1cccc1C(=O)NC1CN([C@@H]2CCC(=O)NC2=O)C1 1030446320 CRZUKNGWXXOCIG-CYBMUJFWSA-N 316.361 -0.107 30 20 DBED C#CCCN1CC(NC(=O)c2ccc(=O)n(CCOC)n2)C1 1030641911 YFCJSGCAZXTYSR-UHFFFAOYSA-N 304.350 -0.673 30 20 DBED CC#CCN1CC[C@@H](N(CC)C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 1033951953 MWEYTZAYTSGUPQ-HZSPNIEDSA-N 307.394 -0.035 30 20 DBED N#CCN1CCO[C@H](CNC(=O)c2ccnc3[nH]cnc23)C1 1035387996 RXYCRGBXWNSXGE-SNVBAGLBSA-N 300.322 -0.088 30 20 DBED C#CCCN1CCO[C@@H](CNC(=O)[C@H]2CCNC(=O)CC2)C1 1035459179 IRTSNYSZUVIJHX-KGLIPLIRSA-N 307.394 -0.257 30 20 DBED C=CCN1CCO[C@H](CNC(=O)c2ccc(C(N)=O)cn2)C1 1035620142 FKVPSOBGFNLRCY-GFCCVEGCSA-N 304.350 -0.203 30 20 DBED C#CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)C1(n2cnnn2)CCOCC1 1037620803 RYYRQITYVSYLPY-FRRDWIJNSA-N 316.365 -0.999 30 20 DBED C=C(Cl)CN1C[C@H]2C[C@H]1[C@H]2NC(=O)c1cn(CC(N)=O)nn1 1037741648 BRLUUKGWLRDCOB-QRTLGDNMSA-N 324.772 -0.682 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)Cc2cncnc2)C1 1039584799 KYXRBAFCDHJVGL-NHYWBVRUSA-N 317.349 -0.742 30 20 DBED CC(=O)N1CCC(=O)NCCN(c2cnc(C#N)cn2)CC1 1039659382 WXAXNSMDPQEUJY-UHFFFAOYSA-N 302.338 -0.477 30 20 DBED C=C(Cl)C(C)(C)C(=O)NC[C@@]1(O)CCN(C(=O)C(N)=O)C1 1039823456 QIRHTMDPFNLPEW-ZDUSSCGKSA-N 317.773 -0.670 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1040609286 NVLBQRRFCYYVEK-VUABOHJTSA-N 307.350 -0.882 30 20 DBED C=CCOCC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1040610481 UINNQVGPZAAZCI-DMEJVMROSA-N 324.377 -0.839 30 20 DBED C#CCCCC(=O)N1CC[C@](O)(CNC(=O)c2cccnn2)C1 1040683353 XYAQEQIIOCMYEW-INIZCTEOSA-N 316.361 -0.027 30 20 DBED Cn1cccc1C(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1041501776 YWVWCXOZQNETLD-UHFFFAOYSA-N 301.346 -0.258 30 20 DBED N#Cc1cccnc1NC[C@@H]1CN(C(=O)C(N)=O)CCCO1 1041523614 GPKSZTBHNASWFY-LLVKDONJSA-N 303.322 -0.532 30 20 DBED N#Cc1nc(=N[C@@H]2C[C@H]3CC[C@H]2N(C(=O)c2cnn[nH]2)C3)cc[nH]1 1041684289 FVDGXMZBBBFCET-CKYFFXLPSA-N 324.348 -0.007 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)c2ccccc2O)C1 1042035253 JXGFXQSEXBMYNA-UHFFFAOYSA-N 320.345 -0.102 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)[C@H]2CCCOC2)C1 1042039935 MCLAYKXYOHWYJJ-LBPRGKRZSA-N 312.366 -0.695 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)c2ccn(C)c2C)C1 1042052309 IOQLAKJXKOIFLF-UHFFFAOYSA-N 321.377 -0.161 30 20 DBED C#CCNC(=O)CC(=O)NCC1(O)CN(C(=O)CCCCC)C1 1042672557 UFFOXMRFBROUFF-UHFFFAOYSA-N 323.393 -0.604 30 20 DBED C[C@H](C(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1)[C@@H]1CCCO1 1042960104 FBLSTOOHAJLZBK-JSGCOSHPSA-N 320.389 -0.096 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)[C@@H](C)C2CC2)C1 1043033194 SYDKWUOKGGANKZ-LBPRGKRZSA-N 308.378 -0.238 30 20 DBED C=CC(C)(C)CC(=O)NCC1(O)CN(C(=O)c2cnn[nH]2)C1 1043209134 LEMBMYNTOGRFTN-UHFFFAOYSA-N 307.354 -0.290 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H](NCC(N)=O)C[C@@H]2C)nn1 1044778195 YGGNXMXLBSJVLM-QWRGUYRKSA-N 306.370 -0.468 30 20 DBED C[C@H]1C[C@H](NCC#N)CCN1C(=O)c1cn(C)c(=O)nc1O 1044860730 KMMQROXBTOQYGT-VHSXEESVSA-N 305.338 -0.408 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)c2ccncn2)C1 1045164606 DTYBHCGXCGVZET-UHFFFAOYSA-N 302.334 -0.561 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)CCc2ccnn2C)C1 1045551887 NMLYMGHYFBLGGS-LLVKDONJSA-N 319.365 -0.798 30 20 DBED N#CCN1CCC2(CC1)CO[C@H](CNC(=O)[C@H]1COC(=O)N1)C2 1045669981 KLQOWECXOQCCAA-NWDGAFQWSA-N 322.365 -0.394 30 20 DBED N#CCN1[C@H]2CC[C@H]1CN(C(=O)CC[C@H]1NC(=O)NC1=O)CC2 1045888034 TWSBNRYNAONAPU-SDDRHHMPSA-N 319.365 -0.437 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCC1(O)CN(C(=O)c2ccc[nH]2)C1 1046814176 FJMZXVCSPZIFPH-YPMHNXCESA-N 319.361 -0.091 30 20 DBED CN1C[C@@H](C(=O)NC[C@@H]2CN(CC#N)CCC2(F)F)NC1=O 1046966364 QMQSBAFNQVJUHY-ZJUUUORDSA-N 315.324 -0.393 30 20 DBED C=C(C)CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC(=O)N(C)C2)C1 1047401714 FFGCMHULHGVAPF-IHRRRGAJSA-N 309.410 -0.066 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3nccn3C2)C1 1047432213 DYJFDJUEVYOCPF-IHRRRGAJSA-N 302.378 -0.418 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cn(C)nc2COC)C1 1047432781 HSVYQBRZTNCLDH-GJZGRUSLSA-N 320.393 -0.293 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)c2c(OC)ncnc2OC)C1 1047645383 OKRUDXKEGCTQAE-QWRGUYRKSA-N 322.365 -0.203 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CN(C)C(C)=O)C1 1048309786 NNLXJDWLBFSSPL-KBPBESRZSA-N 323.393 -0.702 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2n[nH]cc2C)C1 1048807821 RZVNBAAYBCIECW-RYUDHWBXSA-N 322.365 -0.436 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cn2nccn2)C1 1048906920 AJWOYHYPOMBTQZ-STQMWFEESA-N 319.365 -0.888 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)c2ccns2)C[C@@H]1O 1049402041 NTTPJELXDXHITM-UTLUCORTSA-N 308.363 -0.054 30 20 DBED CC#CCN1C[C@@H]2CCCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)[C@@H]2C1 1050152644 XAULMWHUJYOBTE-RWMBFGLXSA-N 318.377 -0.469 30 20 DBED C#CCN1CCC(C(=O)NC[C@H]2COCCN2CCOC)CC1 1051256528 WZZCHXKRVKUIDI-INIZCTEOSA-N 323.437 -0.205 30 20 DBED C[C@H]1CN(C(=O)CSCC#N)C[C@H]1CNC(=O)CC(N)=O 1052044142 HLMCCQYWPBXLAI-VHSXEESVSA-N 312.395 -0.671 30 20 DBED C#CCCN1CCC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)CC1 1052393107 DYLHTGCJUBYIBX-LBPRGKRZSA-N 318.381 -0.629 30 20 DBED C#CCN1CC2(C1)CN(C(=O)c1ccoc1CC(N)=O)CCO2 1053396725 GSMALQRDRIYEED-UHFFFAOYSA-N 317.345 -0.533 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)CN3CCCCC3=O)CO2)C1 1053857239 ZBLLFMUQJRGUIF-ZDUSSCGKSA-N 305.378 -0.408 30 20 DBED C#CCOCCC(=O)N1C[C@@H]2CN(C(=O)CCN(C)C)C[C@@H]2C1 1055337818 HVGWUMIQPJYBAU-GASCZTMLSA-N 321.421 -0.105 30 20 DBED N#Cc1ccc(N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)Cc2nc[nH]n2)nn1 1055385013 FKKNMEIICRITJR-UTUOFQBUSA-N 324.348 -0.065 30 20 DBED N#Cc1nccc(N2CCN(C(=O)[C@@H]3CCCNC3=O)CC2)n1 1055928460 VJFDEFQZGNGZLG-LLVKDONJSA-N 314.349 -0.477 30 20 DBED N#Cc1cncc(N2CCN(C(=O)c3cnnc(O)c3)CC2)n1 1055932413 QSXIYIZTNCSGGO-UHFFFAOYSA-N 311.305 -0.194 30 20 DBED C[C@H](C#N)C(=O)N[C@@]1(CO)CCCN(C(=O)c2n[nH]cc2F)C1 1056096616 JMMPMIDCNSCZGJ-OTYXRUKQSA-N 323.328 -0.208 30 20 DBED N#Cc1cnccc1N1C[C@@H]2C(NC(=O)Cc3nc[nH]n3)[C@H]2C1 1056295862 BGKIMDJSYVNOMC-QWRGUYRKSA-N 309.333 -0.135 30 20 DBED C=C[C@@](C)(O)CC(=O)N(CCO)CCNC(=O)[C@@H](C)OCC 1057449483 DAGJOTMJKSODRQ-IUODEOHRSA-N 316.398 -0.324 30 20 DBED C=CCC(C)(C)C(=O)NCCN(CCO)C(=O)Cn1nccn1 1057702460 XCGFRPBGAOFFSJ-UHFFFAOYSA-N 323.397 -0.183 30 20 DBED C=CCO[C@H](C)C(=O)N(CCO)CCNC(=O)c1ncc[nH]1 1057921840 QXRQARCHPVYRRI-LLVKDONJSA-N 310.354 -0.449 30 20 DBED CC[C@H](C(=O)N(CCO)CCNC(=O)C#CC1CC1)N(C)C 1057974401 VVJVSWGEORESOG-CQSZACIVSA-N 309.410 -0.323 30 20 DBED CN1CCO[C@H](C(=O)N[C@H]2CCN(c3cnc(C#N)cn3)C2)C1 1058316794 HRJAYSQULOOTRE-AAEUAGOBSA-N 316.365 -0.626 30 20 DBED CN1C[C@@H](C(=O)N[C@H]2CCN(c3ccnc(C#N)n3)C2)NC1=O 1058504219 JUNLCUKYYJENIW-UWVGGRQHSA-N 315.337 -0.933 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)c1ccc(F)nc1 1058652638 BNASPFIOCVEUID-JTQLQIEISA-N 308.313 -0.069 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)C[C@@H]1CCCC(=O)N1 1058652858 GUGDXGYJJOHSHS-NEPJUHHUSA-N 324.381 -0.858 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)Cc1ccnn1C 1058653250 QEJJIHMBMAJYOC-LLVKDONJSA-N 307.354 -0.941 30 20 DBED CN1C[C@@H](C(=O)N2CC[C@H](Nc3ccc(C#N)nn3)C2)NC1=O 1059023124 NNLDQRQISJKCIL-QWRGUYRKSA-N 315.337 -0.615 30 20 DBED CN(c1cncc(C#N)n1)[C@@H]1CCCN(C(=O)CC(N)=O)C1 1061183027 VKTWATZJPSVZQX-LLVKDONJSA-N 302.338 -0.349 30 20 DBED C=CCCC(=O)N1CCOC[C@@H]1CNC(=O)CN1CCCC1=O 1061277211 CSWQDUFXPGYREM-ZDUSSCGKSA-N 323.393 -0.081 30 20 DBED N#Cc1nccc(N2CC[C@@H](CNC(=O)[C@H]3COCCO3)C2)n1 1061526076 VNYGPKLDVNLDFY-NWDGAFQWSA-N 317.349 -0.294 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H]1COCCN1C(=O)C(F)F 1061584929 OYIGVQNRHWESHV-UWVGGRQHSA-N 304.293 -0.367 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)Cn2cnnc2O)CCC1 1062831624 MSVPKDRWFXEQPK-VIFPVBQESA-N 306.326 -0.702 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)CCCC(N)=O)C1 1065562019 VTRUAAMXTLDIAP-MNOVXSKESA-N 310.354 -0.855 30 20 DBED C[C@H]1CN(C(=O)CC(N)=O)C[C@@H]1CNc1cncc(C#N)n1 1065830038 UXHHFYJLQLJHLB-UWVGGRQHSA-N 302.338 -0.270 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCCN(C(=O)[C@H](C)OC)CC1 1066069684 UKRNASIEJHVLEX-QWHCGFSZSA-N 323.393 -0.342 30 20 DBED C=CCCC(=O)N(C)CCCN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 1066987502 VXSIFTKDNNEZIM-NSHDSACASA-N 324.381 -0.142 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1COC2(C1)CN(C(=O)c1cncnc1)C2 1069003850 QEFGEHLOOWIKOC-JQWIXIFHSA-N 315.333 -0.264 30 20 DBED C[C@@H]1C[C@H](Nc2cnc(C#N)cn2)CN1C(=O)Cn1ncnn1 1069151949 JSLZFUYTLUMHEX-ZJUUUORDSA-N 313.325 -0.564 30 20 DBED CC(C)C#CC(=O)N1CC[C@@]2(CCCN(C(=O)C(N)=O)C2)C1 1069775896 FVPWGFGUIXPSPL-INIZCTEOSA-N 305.378 -0.028 30 20 DBED N#CCN[C@@H]1CN(C(=O)Cc2cncs2)C[C@@H]1n1ccnn1 1070214071 DFHFKMCUPZYUDX-NEPJUHHUSA-N 317.378 -0.158 30 20 DBED Cn1cnc([C@@H]2CN(C(=O)[C@]3(F)CCOC3)C[C@H]2NCC#N)c1 1070526117 RDVVKUOXDIKCSN-LNSITVRQSA-N 321.356 -0.044 30 20 DBED C=CCOCC(=O)N1CCC[C@@H](NC(=O)[C@@H]2CCN(C)C2=O)C1 1070554814 ATHIFZVCQAIOLR-OLZOCXBDSA-N 323.393 -0.226 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CCCN(C(=O)C2(NC(N)=O)CC2)C1 1070633171 XSHWEGFVHVQRSX-VHSXEESVSA-N 307.354 -0.546 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)c4n[nH]c(C)c4O)C[C@@]3(C1)O2 1070790164 UMCATFCJGNZEOF-XHBSWPGZSA-N 316.361 -0.028 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)[C@H]2CCCCN2C)CC1 1070973721 TXJBRQXSGWTQFY-OAHLLOKOSA-N 320.437 -0.246 30 20 DBED CC#CCCCC(=O)N[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1C 1072162113 VGNDQLPENLLVFW-CHWSQXEVSA-N 318.381 -0.170 30 20 DBED CNC(=O)NCC(=O)N1C[C@@H](NC(=O)C#CC2CC2)[C@H](C)C1 1072268304 LSPJRXAGVOEOAA-ZYHUDNBSSA-N 306.366 -0.708 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(N2CCN(C(=O)COC)CC2)C1 1073525999 KQGRYMLTMFYLGT-ZDUSSCGKSA-N 323.393 -0.974 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)[C@H]1CCOC1 1076217750 GSCSBJFFAWIDQV-RYUDHWBXSA-N 309.366 -0.827 30 20 DBED C#CCO[C@H](C)C(=O)NCC[C@H](C)NC(=O)Cc1nc[nH]n1 1076509239 SCDQXZOBQXYLOL-WDEREUQCSA-N 307.354 -0.604 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)Cc2ccccc2C(N)=O)C1 1077496157 IZODFEBZBOKJHO-CHWSQXEVSA-N 302.334 -0.987 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2ccc3c(C)nn(C)c3n2)C1 1078233006 CFICFCOYJSFMKU-ZIAGYGMSSA-N 313.361 -0.315 30 20 DBED C[C@@H](CCNC(=O)Cn1cncn1)NC(=O)c1cc(C#N)c[nH]1 1078570621 SYXHTVIWAFKKCN-JTQLQIEISA-N 315.337 -0.197 30 20 DBED CCN(C(=O)[C@@]1(C)CCNC1=O)C1CN(C(=O)[C@H](C)C#N)C1 1080549153 SFYMGTDUZKKSGA-BMIGLBTASA-N 306.366 -0.268 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)COCC)C1 1081221222 QWNOLTIVGWLYSQ-NWDGAFQWSA-N 300.355 -0.839 30 20 DBED CC(C)(F)C(=O)N1C[C@H](O)[C@H](CNC(=O)CSCC#N)C1 1081286790 PDMBJTZPUGKJSN-ZJUUUORDSA-N 317.386 -0.073 30 20 DBED C#CCN1C[C@@H](NC(=O)c2cc(=O)c(OC)co2)[C@H](OC)C1 1081946307 ZGFKMIMXARMPHW-ZWNOBZJWSA-N 306.318 -0.289 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cnn2c1CCC2 1083099313 DAWQEBQNEMGWRP-UONOGXRCSA-N 301.350 -0.122 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)c2ccnn2CCOC)C1 1083554134 OHFLGDUUWHGIJM-OCCSQVGLSA-N 308.382 -0.120 30 20 DBED CC#CCN1CC[C@@H]2CN(C(=O)[C@@H]3CCS(=O)(=O)C3)[C@@H]2C1 1084498247 QEYYTTQAEDOKHS-MGPQQGTHSA-N 310.419 -0.023 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)Cn2nnnc2C(C)C)[C@H](O)C1 1090632321 FHFUCHCARRWGGW-CHWSQXEVSA-N 322.413 -0.076 30 20 DBED C=C(C)CCN1CC[C@@H](NC(=O)CN2C(=O)CNC2=O)[C@@H](O)C1 1090793713 LMQJOKSQUGTMNI-NEPJUHHUSA-N 324.381 -0.944 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(c2ncc(F)cn2)C[C@H]1OC 1090921525 OQKGIHRZLSZUSQ-RAIGVLPGSA-N 322.340 -0.026 30 20 DBED COC[C@H](C)CC(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@@H]1O 1091137330 IGBJDEGCWTZSRA-RTXFEEFZSA-N 319.365 -0.313 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(c2ccc(C#N)nn2)C[C@@H]1O 1092153931 OZUGERKMFJQTBE-STQMWFEESA-N 317.349 -0.393 30 20 DBED C[C@@]12CN(CC#N)C[C@@H]1CN(C(=O)c1nccnc1C(N)=O)C2 1092259820 RJRBLLNGYOKTMF-BMIGLBTASA-N 314.349 -0.507 30 20 DBED N#Cc1nccnc1N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CC(N)=O 1092955432 YDLROUZDVZWIRB-KKZNHRDASA-N 300.322 -0.550 30 20 DBED CC(=O)N(C)CC(=O)NC1[C@H]2CN(c3cncc(C#N)n3)C[C@H]12 1093217291 JFWKJZABWRTZCK-RYUDHWBXSA-N 314.349 -0.623 30 20 DBED C=CCN1CC(OC2CCN(C(=O)CS(C)(=O)=O)CC2)C1 1093513125 GZDYQLCXUIVHEH-UHFFFAOYSA-N 316.423 -0.091 30 20 DBED N#Cc1cccnc1NCCNC(=O)CN1C(=O)CCC1=O 1093624708 YANGEVNXFFSEKK-UHFFFAOYSA-N 301.306 -0.370 30 20 DBED N#Cc1ccc(NCCNC(=O)C[C@H]2CCCS2(=O)=O)nn1 1094012044 XFLBEUNDCJQUEY-LLVKDONJSA-N 323.378 -0.156 30 20 DBED N#Cc1ccc(NCCCNC(=O)CCn2cnnn2)nc1 1094541094 GIZOBOKRKIULFP-UHFFFAOYSA-N 300.326 -0.052 30 20 DBED N#Cc1cncc(NCCCNC(=O)[C@@H]2CC[C@@H]2C(N)=O)n1 1094703038 HZWPQGURLWPYTB-WDEREUQCSA-N 302.338 -0.222 30 20 DBED CNC(=O)CC(=O)N[C@H]1CCN(c2nc(C)cc(C#N)n2)C1 1096353668 VTNUIDZZIUCPBW-JTQLQIEISA-N 302.338 -0.512 30 20 DBED N#Cc1cnc(N[C@H](CNC(=O)Cn2ncnn2)C2CC2)cn1 1096730714 GINYLSIZTHGCFI-LLVKDONJSA-N 313.325 -0.658 30 20 DBED C[C@@H](C(=O)N1CCC(N(CC#N)CCO)CC1)S(C)(=O)=O 1098406195 JNYASSKTHXXUSS-NSHDSACASA-N 317.411 -0.772 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)Cc2cnoc2)[C@H](O)C1 1099962101 JCWXSNNTSUPSIA-ZIAGYGMSSA-N 309.366 -0.029 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CCc2ncccn2)[C@@H](O)C1 1100044079 QYQKBSPNWPVHED-KGLIPLIRSA-N 302.378 -0.016 30 20 DBED CN(CCNC(=O)[C@]1(C)CCNC(=O)C1)c1ccnc(C#N)n1 1100398451 IAYZZYVSJUFBRI-OAHLLOKOSA-N 316.365 -0.183 30 20 DBED COCC#CCNC1CC(CNC(=O)[C@]2(C)CNC(=O)C2)C1 1100529679 MBKZDTKHRRHYJM-ZUEPYMLJSA-N 307.394 -0.353 30 20 DBED CCN(CCNC(=O)[C@@H](C)CC(N)=O)c1nccnc1C#N 1100676514 LHQCJJMOSDVOPD-JTQLQIEISA-N 304.354 -0.198 30 20 DBED COCC#CCN1C[C@@H]2CN(C(=O)[C@@H]3COC(=O)N3)C[C@]2(C)C1 1101220212 WAJBRQYRYXIEHC-WWGRRREGSA-N 321.377 -0.475 30 20 DBED CCCC(=O)NCC(=O)N(C)CCN=c1cc[nH]c(C#N)n1 1101510905 HRDAZJLQMNWWDI-UHFFFAOYSA-N 304.354 -0.443 30 20 DBED C=CCOCC(=O)N[C@H]1CC2(CN(CC(N)=O)C2)n2ccnc21 1101619053 NNIJMHKJCHTNGD-NSHDSACASA-N 319.365 -0.857 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)c1cnc2nccn2c1 1101865018 WTPVPZAHJXSCMJ-UHFFFAOYSA-N 322.332 -0.003 30 20 DBED C[C@@H](CNC(=O)CS(C)(=O)=O)CNc1ccc(C#N)nn1 1103868751 TXSLNCSVCLTTNU-SECBINFHSA-N 311.367 -0.443 30 20 DBED CC(C)[C@H](CNC(=O)[C@H]1COC(=O)N1)N=c1cc[nH]c(C#N)n1 1105166024 JBVJNQPHVLDDIA-VHSXEESVSA-N 318.337 -0.569 30 20 DBED C=CCNCc1cn(C2CN(C(=O)[C@@H](C)NC(=O)CC)C2)nn1 1105247047 LZRRWUZFXDXCLN-LLVKDONJSA-N 320.397 -0.148 30 20 DBED Cc1cc(CC(=O)NC[C@@H](O)CN=c2cc[nH]c(C#N)n2)no1 1105765872 IQFARZNZNYRDOW-NSHDSACASA-N 316.321 -0.802 30 20 DBED C[C@@H](C(=O)NC[C@@H](O)CNc1ncccc1C#N)n1cncn1 1105828262 CEHIUVVHLXFWTF-JQWIXIFHSA-N 315.337 -0.305 30 20 DBED CN1CCOC[C@H]1C(=O)NC[C@@H](O)CNc1ncccc1C#N 1105829438 SDROMQNWUWXIKH-STQMWFEESA-N 319.365 -0.827 30 20 DBED N#Cc1nc(=NC[C@H](O)CNC(=O)[C@H]2C[C@@H]2C(F)F)cc[nH]1 1105836771 APZJNGQPFTZELK-CIUDSAMLSA-N 311.292 -0.440 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H](O)CNc2nccnc2C#N)cn1 1105909117 DPGNHKDPXTXSHK-ZDUSSCGKSA-N 322.328 -0.073 30 20 DBED CCn1cnc(C(=O)NC[C@H](O)CNc2cnc(C#N)cn2)c1 1105916919 WUESTKHVENPHAF-LLVKDONJSA-N 315.337 -0.233 30 20 DBED C[C@@H](CCN=c1cc[nH]cc1C#N)NC(=O)[C@H](C)NC(N)=O 1106297527 HQSZARSDPJIHSW-UWVGGRQHSA-N 304.354 -0.261 30 20 DBED C[C@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)c1cnn(C)n1 1106385411 WAPMKRLFEHMMQB-SECBINFHSA-N 300.326 -0.481 30 20 DBED C[C@@H](CCNc1ncccc1C#N)NC(=O)[C@H]1CNC(=O)N1 1106544334 ZKXRTFWWUKIRCT-GXSJLCMTSA-N 302.338 -0.059 30 20 DBED C[C@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)[C@H]1C[C@H]1C(N)=O 1106569603 LMYKNUXMWZWWJA-BBBLOLIVSA-N 302.338 -0.802 30 20 DBED CCN(CCNc1nccnc1C#N)C(=O)Cn1nccn1 1106859262 RLKNOZQMMYCHAG-UHFFFAOYSA-N 300.326 -0.100 30 20 DBED COCC[C@H](C)C(=O)NCc1cn(C2CN(CC#N)C2)nn1 1107238152 JIOAVBMYPDGDES-NSHDSACASA-N 306.370 -0.053 30 20 DBED C[C@H](CNc1cnc(C#N)cn1)NC(=O)C[C@H]1CC(=O)NC1=O 1107825975 MYDVCGBESXITML-BDAKNGLRSA-N 316.321 -0.682 30 20 DBED CC#CCN1CCO[C@](C)(CNC(=O)c2cnc(O)n2C)C1 1108119101 IENKNFVHMUEDMI-OAHLLOKOSA-N 306.366 -0.030 30 20 DBED C=CC(C)(C)CC(=O)N[C@@H]1CC(=O)N(C2CN(CC(N)=O)C2)C1 1108548446 OGVGCDBETSTNRM-LLVKDONJSA-N 322.409 -0.525 30 20 DBED CC(C)(O)CC(=O)N1C[C@H]2C[C@H](NCC(=O)NCC#N)C[C@H]1C2 1108671180 LKBVMOYYXPJACM-RWMBFGLXSA-N 322.409 -0.244 30 20 DBED Cc1cc(N(C)C[C@@H](C)NC(=O)Cn2cnnn2)c(C#N)cn1 1108851453 YKEFQKAHCFRVKX-LLVKDONJSA-N 314.353 -0.111 30 20 DBED CN(CCCN=c1cc[nH]c(C#N)n1)C(=O)[C@@H]1COCCN1C 1109410077 KDVWCIKBXJZJBI-LBPRGKRZSA-N 318.381 -0.639 30 20 DBED COC[C@@H](C)C(=O)NC[C@@]1(O)CCN(c2ccnc(C#N)n2)C1 1111044394 XFFSVHXLBGTBLF-ABAIWWIYSA-N 319.365 -0.312 30 20 DBED COCC(=O)N[C@@]1(CO)CCCN(c2cnc(C#N)cn2)C1 1111336354 NRAJLJYKWKAGJG-AWEZNQCLSA-N 305.338 -0.558 30 20 DBED N#Cc1ccc(NCCN(CCO)C(=O)[C@H]2COCCO2)cn1 1111425631 QUOCASKMEQEEPI-CQSZACIVSA-N 320.349 -0.399 30 20 DBED N#Cc1cccnc1NCC1(NC(=O)C(N)=O)CCOCC1 1112262687 FZCAKCCJJYOEMK-UHFFFAOYSA-N 303.322 -0.484 30 20 DBED CC(=O)N(C)CC(=O)N1C[C@H](C)[C@@H](N=c2cc[nH]c(C#N)n2)C1 1112307387 XUKNTKSIWWEILU-JQWIXIFHSA-N 316.365 -0.493 30 20 DBED CNC(=O)CC(=O)N1C[C@@H](C)[C@@H](Nc2cnc(C#N)cn2)C1 1112308307 DHOPWPREGRHDIC-KOLCDFICSA-N 302.338 -0.257 30 20 DBED CC(=O)NCC(=O)NC[C@H]1CN(c2ccncc2C#N)C[C@H]1O 1112694723 JSMLLQCNCBYBRX-GXTWGEPZSA-N 317.349 -0.997 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)c2cnn(C)c2N)CC1 1112783796 DAEWKICFLYNQQH-UHFFFAOYSA-N 306.370 -0.938 30 20 DBED CCn1nnc(C)c1C(=O)N1CCN(CC(=O)NCC#N)CC1 1112960465 LKPDFFYCHFLMTP-UHFFFAOYSA-N 319.369 -0.996 30 20 DBED C[C@@H](N=c1cc[nH]c(C#N)n1)[C@@H](C)NC(=O)COCCN(C)C 1113096262 IZPVXVXWTFPULB-VXGBXAGGSA-N 320.397 -0.347 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN([C@H]2CCNC2=O)CC1 1113408909 LEHRGYASAPLBGU-KGLIPLIRSA-N 322.409 -0.510 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)c2cc(Cl)no2)CC1 1113569729 WJEIBWATDLHMBP-UHFFFAOYSA-N 311.729 -0.274 30 20 DBED C#CCO[C@H](C)C(=O)NC1[C@@H]2CN(Cc3cnn(CC)n3)C[C@@H]12 1114270137 ALELSABZNNULFD-MRVWCRGKSA-N 317.393 -0.117 30 20 DBED C#CCCN1C[C@H]2[C@H](NC(=O)[C@@H](C)NS(=O)(=O)CC)[C@H]2C1 1114310824 CHJKEFIYYQAUTF-NDBYEHHHSA-N 313.423 -0.616 30 20 DBED C=CCCC1(C(=O)NC2[C@H]3CN(CC(=O)NC(N)=O)C[C@H]23)CC1 1114794150 CSWHIMJZPUXWLW-QWRGUYRKSA-N 320.393 -0.026 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)C(C)(C)NC(C)=O)[C@H]2C1 1114981960 FIKXSPKOJXTVCT-IMRBUKKESA-N 322.409 -0.750 30 20 DBED N#CC1(NC(=O)Cn2cc(CN3CCOCC3)nn2)CCC1 1119333535 WORDTFNNGQEELZ-UHFFFAOYSA-N 304.354 -0.327 30 20 DBED C=CCNC(=O)CN1CCC[C@@H]1[C@@H]1CCCN(C(=O)C(N)=O)C1 1120423444 UOBCTHWPZYMCBN-CHWSQXEVSA-N 322.409 -0.523 30 20 DBED CC(=O)N[C@H](C)C(=O)NC[C@H](CO)Nc1ccc(C#N)nc1 1121009889 GBZOPEFJKJMFPU-NOZJJQNGSA-N 305.338 -0.633 30 20 DBED N#Cc1c[nH]ccc1=N[C@H](CO)CNC(=O)Cc1cccnc1 1121446497 MCDLPCGOAXZJTN-AWEZNQCLSA-N 311.345 -0.098 30 20 DBED CCn1ncc(C(=O)NC[C@H](CO)Nc2cncc(C#N)n2)n1 1121471743 IQNDZTZARPJQAA-SNVBAGLBSA-N 316.325 -0.838 30 20 DBED N#Cc1cncc(N[C@@H](CO)CNC(=O)CN2CCCC2)n1 1121580067 DOVJJNRYBXTTLU-GFCCVEGCSA-N 304.354 -0.667 30 20 DBED Cc1cc(C#N)nc(N[C@@H](CO)CNC(=O)CN2CCCC2)n1 1121580073 DXNNVZLPKFJKLU-CYBMUJFWSA-N 318.381 -0.359 30 20 DBED CC[C@@H](C(=O)NC[C@H](CO)N=c1cc(C)[nH]cc1C#N)N(C)C 1121812431 NGNAUQZQKKAYAL-HIFRSBDPSA-N 319.409 -0.087 30 20 DBED CCn1cc(C(=O)NC[C@@H](CO)Nc2ncccc2C#N)nn1 1121928062 LKSINENYEHKOTL-NSHDSACASA-N 315.337 -0.233 30 20 DBED C[C@@H](CC(F)F)C(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1 1122267564 VGTJVVMQTCZLRL-DTWKUNHWSA-N 313.308 -0.050 30 20 DBED C=C1CC(C)(C(=O)NC[C@H](CO)Nc2nccn3nnnc23)C1 1122501048 PCZSLDOKVPZFSJ-SNVBAGLBSA-N 317.353 -0.235 30 20 DBED CN(C[C@H](O)CNc1ccc(C#N)nn1)C(=O)c1n[nH]cc1F 1124714807 MGWYLPGORFDBBT-SECBINFHSA-N 319.300 -0.245 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)[C@H](C)n1cncn1 1125926128 YXNVIWPSBPDSAA-LBPRGKRZSA-N 321.385 -0.693 30 20 DBED N#Cc1cc(C(=O)NCCNC[C@H](O)Cn2cccn2)c[nH]1 1125977716 DSSPHYILSAVNDT-ZDUSSCGKSA-N 302.338 -0.537 30 20 DBED CCCCNC(=O)NC(=O)CNCCNC(=O)C#CC(C)C 1126834686 YBCCKVIVVHIBKL-UHFFFAOYSA-N 310.398 -0.023 30 20 DBED C#CCOCCC(=O)NCCN[C@@H](C)C(=O)NC(=O)NCC=C 1127027754 XZNDCHCUBWUVHM-LBPRGKRZSA-N 324.381 -0.868 30 20 DBED C#CCC1(C(=O)NCCNCCN2CCNC2=O)CCOCC1 1129116580 CAOANSAQSXKVHL-UHFFFAOYSA-N 322.409 -0.463 30 20 DBED C=CCN[C@@H]1CN(C(=O)C2(C(=O)NC)CC2)C[C@@H]1n1ccnn1 1130037902 AUFGULIWAZPSHZ-NEPJUHHUSA-N 318.381 -0.668 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@H]1CCCn2nccc21 1130442331 PATNUNZSFRKEFH-STQMWFEESA-N 317.393 -0.396 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1ccc2c(c1)CCOC2 1131203086 BCBVCZXTSDXPSE-UHFFFAOYSA-N 316.361 -0.282 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)[C@H](C)OCCOC)C[C@@]3(C1)O2 1131274414 WDBCIMCXPLJROO-KLZNWCGWSA-N 322.405 -0.027 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)CCCC(=O)NC)CC1 1131357245 NBVPRATYMOWQAA-UHFFFAOYSA-N 322.409 -0.814 30 20 DBED C[C@@H]1Cc2cccc(C(=O)NCCNCC(=O)NCC#N)c2O1 1131469570 TYEWDFZNBXODFY-LLVKDONJSA-N 316.361 -0.031 30 20 DBED C[C@@H]1CC[C@@H](NC(=O)C#CC2CC2)CN1Cc1nc(=O)n(C)[nH]1 1132047469 XSBZJBYMXLBIHR-DGCLKSJQSA-N 317.393 -0.009 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)Cc2nc[nH]n2)CC[C@@H]1C 1132416841 NIIILFHJPCDNST-RYUDHWBXSA-N 320.397 -0.382 30 20 DBED C#CCNC[C@H]1CN(C(=O)CCS(=O)(=O)NC)CC[C@H]1C 1132828657 WNVMMGFNQOITHI-OLZOCXBDSA-N 315.439 -0.367 30 20 DBED C#CCNC[C@@H]1CN(C(=O)CN2CCN(C)C(=O)C2)CC[C@H]1C 1132931508 AQOUUKSVLRMXPQ-HUUCEWRRSA-N 320.437 -0.532 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)CCn1cncn1 1133703636 VMKQOJRFNWQUQC-CHWSQXEVSA-N 320.397 -0.710 30 20 DBED C[C@H](OCc1ccncc1)C(=O)NCCNCC(=O)NCC#N 1134024603 DAYPBGRAZFTTIP-LBPRGKRZSA-N 319.365 -0.668 30 20 DBED C[C@H](C[C@@H](C)NC(=O)c1cc(=O)n(C)o1)NCC(=O)NCC#N 1134219566 OUWQVAALSLSQCL-NXEZZACHSA-N 323.353 -0.895 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)NCCNC[C@H](O)COC 1134816662 GRBDVFWIVORTPD-QWHCGFSZSA-N 301.387 -0.830 30 20 DBED C=CCn1cc(C(=O)NCCN[C@H](CCCC)C(N)=O)nn1 1134973548 WUQYRVLTVDNQIV-LLVKDONJSA-N 308.386 -0.172 30 20 DBED C=C(C)CN(CC)C(=O)[C@H](C)NCCNC(=O)c1cnn(C)n1 1135286909 NUGPRYZRTMMZHY-LBPRGKRZSA-N 322.413 -0.052 30 20 DBED C#CCNC(=O)CNCCNC(=O)CCCC(=O)NCCC 1148243921 XWDQJUONYIAZKA-UHFFFAOYSA-N 310.398 -0.862 30 20 DBED CCN(C)C(=O)CN1CCCO[C@H](CNC(=O)[C@H](C)C#N)C1 1149397780 HCICYHXAPFXXPX-CHWSQXEVSA-N 310.398 -0.169 30 20 DBED CCN(CC#CCOC)[C@H](C)CNC(=O)CS(C)(=O)=O 1152165467 XCEWXYNVZVVOHB-GFCCVEGCSA-N 304.412 -0.493 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)c1n[nH]cc1C 1153226922 MYTMVKYQQDGZHL-GFCCVEGCSA-N 305.382 -0.092 30 20 DBED C#CCNC(=O)CC(=O)NCCCNCc1ncc(C)cn1 1156848052 PFSVOFLKWPORDD-UHFFFAOYSA-N 303.366 -0.480 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)c1ccnc(C)n1 1156956135 UWGYYNQXKDTUEB-GFCCVEGCSA-N 317.393 -0.025 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)c1cn2c(n1)CCC2 1158343899 SWBCFEXHGGOUKD-GFCCVEGCSA-N 317.393 -0.323 30 20 DBED C=CCNC(=O)CNCCCC[C@H](C)NC(=O)[C@@H]1CCNC1=O 1174658173 BWFFAYKQUFHYLC-QWHCGFSZSA-N 324.425 -0.311 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](NCC(=O)NC(=O)NC2CC2)[C@@H]1C 1178366819 PBROGKCZKWGPSL-NHCYSSNCSA-N 321.381 -0.287 30 20 DBED C#CCCN[C@H]1CCN(C(=O)[C@@H]2CN(C(C)=O)CCO2)[C@H]1C 1180037475 PSWFUVMIHXVSEN-QEJZJMRPSA-N 307.394 -0.164 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2cc(CC)[nH]n2)C1 1181076770 VFNQHHLTBOBMIR-WCQYABFASA-N 317.393 -0.086 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](N[C@@H](C)c2nnnn2C)C1 1182514824 UPBDQRDKBRXQIA-NWDGAFQWSA-N 306.370 -0.499 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)CN2CCCNC2=O)C1 1183930532 JNFHKBZIPYFQMQ-CYBMUJFWSA-N 308.382 -0.758 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)[C@]2(C)CCC(=O)NC2)C1 1185077448 CWXZNYARVFJIQR-CZUORRHYSA-N 307.394 -0.257 30 20 DBED C#CCNC[C@H]1CN(C(=O)[C@H](C)NC(C)=O)CC12CCOCC2 1186235889 FKPWKRPVWPRLNV-ZFWWWQNUSA-N 321.421 -0.011 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CCCC(=O)N2C)C1 1187491845 UVUNNMWXHHXOJF-OLZOCXBDSA-N 322.409 -0.510 30 20 DBED N#CCN1C[C@@H]2CCN(C(=O)CCCS(N)(=O)=O)[C@@H]2C1 1189013249 ZDDXGZXFWMXSKC-WDEREUQCSA-N 300.384 -0.889 30 20 DBED CC(C)C#CC(=O)N1CC[C@H](N(C)[C@@H](C)C(=O)NC(N)=O)C1 1190067291 LMARDRDREOVIOT-RYUDHWBXSA-N 308.382 -0.238 30 20 DBED C=CCN1CC[C@@H](N2C[C@@H](O)[C@H](NC(=O)CSC)C2)C1=O 1190905417 VCRNHJLFKZTONU-IJLUTSLNSA-N 313.423 -0.702 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN([C@H]2CCCN(C)C2=O)C[C@H]1O 1192761861 PHMIXBGLKNGVBA-HZSPNIEDSA-N 307.394 -0.572 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)CCC(F)F)C1 1194737782 SGVUNXFNTVWDGS-NXEZZACHSA-N 305.325 -0.505 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1CN(CCN2C(=O)CCC2=O)C[C@H]1O 1195333191 COTITBYJROGYLP-VXGBXAGGSA-N 323.393 -0.491 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)CCN2CCOCC2)C1 1196954171 RDKRZWIFWHGSEE-HUUCEWRRSA-N 311.426 -0.164 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)N2CCCC2=O)C1 1199421752 GGKNLLYNJOTTHT-FMKPAKJESA-N 321.421 -0.182 30 20 DBED CC#CCNC[C@H]1CN(C(=O)[C@@H]2CN(C)CCO2)CCCO1 1200182801 UGLOOYUPJLIHHJ-GJZGRUSLSA-N 309.410 -0.453 30 20 DBED CNC(=O)NCCC(=O)N1CCC(NCC#CCOC)CC1 1200406204 OGXLOCSSJLMNFR-UHFFFAOYSA-N 310.398 -0.464 30 20 DBED N#CCNC[C@H]1CN(C(=O)C[C@H]2CCCC(=O)N2)CCCO1 1200931187 RENZOTCMAUJUJF-OLZOCXBDSA-N 308.382 -0.224 30 20 DBED C[C@]1(C(=O)N2CCCO[C@@H](CNCC#N)C2)CCC(=O)NC1 1201225663 NGWSWFAAXVTCAP-WFASDCNBSA-N 308.382 -0.367 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2cnn(C)n2)C[C@H]1C 1206963326 AGINOVFNGCMRGB-MBNYWOFBSA-N 305.382 -0.210 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC[C@@H](NCc2nc(O)n[nH]2)C1 1208025213 IZTGZXFTTSYLJD-WDEREUQCSA-N 307.354 -0.371 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2CCC(=O)NC2)C1 1208473840 FMIYQPPXWPEIFL-OLZOCXBDSA-N 322.409 -0.605 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)C[C@@H]2CCC(=O)N2)[C@H](C)C1 1209423931 BARLVSPMGJQUHV-FRRDWIJNSA-N 322.409 -0.606 30 20 DBED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)[C@H]1CC12CCC2 1213494120 TYRDJCWKYHPMLP-JHJVBQTASA-N 320.393 -0.368 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](NCC[C@@H]2CCOC2)[C@H](C)C1 1214473227 BCYVTKXBAPMZQT-RBSFLKMASA-N 321.421 -0.011 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1C 1214725341 DUSFFCHQAZOXDN-FRRDWIJNSA-N 320.397 -0.595 30 20 DBED C=CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CS(=O)(=O)CC 1219054116 YCURZGLCZLJKQK-NWDGAFQWSA-N 302.396 -0.481 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)c2cc(C)nn2C)C1 1219269145 AYDJGBUHPNVQGH-OCCSQVGLSA-N 306.366 -0.847 30 20 DBED CCCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)C#CC(C)C)C1 1219588784 KQUNLLSKZVVAHI-MCIONIFRSA-N 309.410 -0.278 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1CN(Cc2nnnn2CCC)C[C@@H]1O 1220148063 VUOMSUIIFPQQJD-NEPJUHHUSA-N 322.413 -0.043 30 20 DBED C=CCCC1(C(=O)N[C@@H]2CN([C@@H]3CCNC3=O)C[C@@H]2O)CC1 1220282985 SACLUQUHIQVPNP-UPJWGTAASA-N 307.394 -0.217 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C2(C)CC(=C)C2)C1 1220322821 HTFDUKLYZZBKPY-OLZOCXBDSA-N 307.394 -0.194 30 20 DBED Cc1cc(C)n(CCCC(=O)N[C@@H]2CN(CC#N)C[C@@H]2O)n1 1220446137 IJAWKRGIYORNLD-KGLIPLIRSA-N 305.382 -0.035 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCC[C@@H](NCC(=O)NCC#N)C1 1222067766 MMFFRYYTWGTATC-QWHCGFSZSA-N 308.382 -0.202 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)[C@@H](C)OCC=C)[C@@H]2C1 1222069234 KIPXVPHNFLHHKI-RBSFLKMASA-N 319.405 -0.140 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cn[nH]c1 1224967231 GGPFFTHQPWBWQO-VXGBXAGGSA-N 304.354 -0.320 30 20 DBED COCC#CCN[C@@H]1CCCC[C@H]1NC(=O)Cn1ncnn1 1226289010 RHDDOJHHEKISMN-CHWSQXEVSA-N 306.370 -0.660 30 20 DBED N#CCNC(=O)CNC(=O)N1CC[C@H](C(F)(F)F)[C@@H](CN)C1 1261817938 HBVODJBFLPSIMF-IUCAKERBSA-N 321.303 -0.205 30 20 DBED C#CCNCC(=O)N1CCN(CC(=O)Nc2cc(C)on2)CC1 1263093817 MQKYLAXZEWSIEX-UHFFFAOYSA-N 319.365 -0.711 30 20 DBED C#CCNC(=O)C1CCN(C(=O)N[C@H](C)C[S@](C)=O)CC1 1321257882 KVXSWUDMWCCALU-FIKIJFGZSA-N 313.423 -0.076 30 20 DBED CCS(=O)(=O)C[C@@H](C)NC(=O)C(=O)N1CC[C@](F)(C#N)C1 1322762390 GHGDCZQMNYFLRN-SKDRFNHKSA-N 319.358 -0.610 30 20 DBED C#CCOCCNC(=O)C(=O)NC[C@H]1COC2(CCCC2)O1 1323579721 RNADGMXSQYPIEO-LBPRGKRZSA-N 310.350 -0.446 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N1CC[C@@H]2NC(=O)CC[C@@H]2C1 1328192834 GRGIBELTFHROFV-KGLIPLIRSA-N 315.373 -0.401 30 20 DBED C=CCOCCNC(=O)C(=O)N1C[C@@H](C)O[C@]2(CCOC2)C1 1330190587 YBMYIXSWSLDGLK-IUODEOHRSA-N 312.366 -0.288 30 20 DBED COCCCNC(=O)[C@H](C)N1CCN(C[C@H](O)CC#N)CC1 1332632291 ASFSRXNSPMUZRG-UONOGXRCSA-N 312.414 -0.580 30 20 DBED Cn1cc(C(=O)NCc2ccc(C(=O)NO)cc2)c(O)nc1=O 1334156850 OMGBDUOOVNPUQX-UHFFFAOYSA-N 318.289 -0.465 30 20 DBED C#CCN(C(=O)C(=O)N1CCC(N2CCNC2=O)CC1)C(C)C 1336579819 ZHXCXWJAZAZRBX-UHFFFAOYSA-N 320.393 -0.127 30 20 DBED C#CCN1CCN(c2nnc([C@@H]3CCNC(=O)CC3)n2C)CC1 1339424178 RWMHZEGFQSRDNJ-ZDUSSCGKSA-N 316.409 -0.046 30 20 DBED Cc1onc(CC(=O)NCCCN2C(=O)CNC2=O)c1C#N 1341963231 QFMLJVAVKYFPJS-UHFFFAOYSA-N 305.294 -0.545 30 20 DBED C#CCOCCN(C)C(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 1348884296 MFUYRGFQSNBJQR-NZBPQXDJSA-N 316.357 -0.098 30 20 DBED N#Cc1ccc(NC(=O)N2CCN(CC(N)=O)C(=O)C2)nc1 1365068072 PSRKPQNRONEFNH-UHFFFAOYSA-N 302.294 -0.885 30 20 DBED CC[C@@H](CNC(=O)NCCn1cc(C#N)c(O)nc1=O)OC 1365195812 QGUFSQFKMNBENI-JTQLQIEISA-N 309.326 -0.455 30 20 DBED CNC(=O)c1ccc(CNc2[nH]c(=O)n(C)c(=O)c2C#N)cc1 1365215414 POAGXLZOVMXCCW-UHFFFAOYSA-N 313.317 -0.083 30 20 DBED C[C@H](C#N)C(=O)N1CCN(CCNC(=O)c2cn[nH]c2)CC1 1372204490 ADKLTZRFUIUFJM-LLVKDONJSA-N 304.354 -0.557 30 20 DBED C[C@H](C#N)C(=O)NCCN1CCN([C@H]2CCCN(C)C2=O)CC1 1389412530 SYBZGQXACFJSLG-KGLIPLIRSA-N 321.425 -0.499 30 20 DBED C[C@@H](CN(C)C(=O)CCCS(C)(=O)=O)NC(=O)[C@@H](C)C#N 1405095833 JFIWYBHSTFAUFB-QWRGUYRKSA-N 317.411 -0.066 30 20 DBED C[C@H](C#N)C(=O)N(C)CCN(C)C(=O)c1cc2n(n1)CCO2 1409993848 HOFQHVBWMVKFQL-SNVBAGLBSA-N 305.338 -0.034 30 20 DBED CNS(=O)(=O)CC(=O)NC[C@H](C)NCc1ccccc1C#N 1419936243 LLKHWWNPGXSSIL-NSHDSACASA-N 324.406 -0.298 30 20 DBED C[C@@H](CN1CC(CNC(=O)[C@@H](C)C#N)C1)CS(C)(=O)=O 1438110743 IYMSKBNZIYRBND-QWRGUYRKSA-N 301.412 -0.125 30 20 DBED C=C(Cl)CNC[C@@H](O)CNC(=O)[C@@H]1CCN(C)C(=O)C1 1445218976 YEEXCZMWRPBGCY-GHMZBOCLSA-N 303.790 -0.326 30 20 DBED CC[C@H](C)OCC(=O)NC[C@H](O)CNC(=O)c1c[nH]c(C#N)c1 1452331624 QDZNLBGHKZJZOW-GWCFXTLKSA-N 322.365 -0.092 30 20 DBED CNC(=O)CCCC(=O)NC1CN(C(=O)c2ccc(C#N)[nH]2)C1 1456246398 JPRWIPMJTDXXAV-UHFFFAOYSA-N 317.349 -0.257 30 20 DBED C[C@H]1c2nncn2CCN1C(=O)Cn1cc(C#N)c(O)nc1=O 1466884527 ZLCBHMQCLUUTRW-QMMMGPOBSA-N 315.293 -0.985 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC[C@H](NCCCS(C)(=O)=O)C1 1480613269 HDIQPTPAXASZHL-JSGCOSHPSA-N 318.439 -0.061 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](C)CN(C)C(=O)c1nc2ncccn2n1 1487877790 UVWCMVLCYSVBCP-VHSXEESVSA-N 315.337 -0.139 30 20 DBED C=C(Cl)CNC[C@@H](O)CNC(=O)C1CCS(=O)(=O)CC1 1497067789 VVTJUCLQPSJMJG-LLVKDONJSA-N 324.830 -0.370 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 1566766766 ODXAPPYTPIOZQY-KBPBESRZSA-N 320.437 -0.201 30 20 DBED C=C(C)CN1CC(O)(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1588430339 OTEOTFLURUEKAV-UHFFFAOYSA-N 317.353 -0.453 30 20 DBED C=C(C)CN(CC)C(=O)CN1CC(NC(=O)[C@@H]2C[C@@H]2C(=O)O)C1 1588562836 IZJLSGMUZMDUNS-OLZOCXBDSA-N 323.393 -0.068 30 20 DBED CC(C)C#CC(=O)NCCNc1cnc(-c2nn[nH]n2)cn1 1603190388 ZACAQCHJRMWNKU-UHFFFAOYSA-N 300.326 -0.156 30 20 DBED N#Cc1c[nH]c(=O)n(Cc2cn3cccc(C(=O)O)c3n2)c1=O 1608195222 IWMAHHOWCFZESW-UHFFFAOYSA-N 311.257 -0.198 30 20 DBED N#Cc1ccc(S(=O)(=O)NCCC(=O)NCCC(=O)O)o1 1608212056 SDFXEARZWFFMEH-UHFFFAOYSA-N 315.307 -0.589 30 20 DBED CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)Cn3cnc(C#N)n3)[C@H]2C1 1647204889 IOXSGPGSGOQGIL-AVGNSLFASA-N 316.365 -0.087 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CC[C@@H](NC(=O)Cn2ncnn2)C1 1739018984 WPVAVERVLVOBQA-QWHCGFSZSA-N 316.365 -0.512 30 20 DBED C#CCNC(=O)CN[C@H](CNC(=O)C(C)(C)NC(C)=O)C1CC1 1752489595 FSQOZLFRLZVNEP-CYBMUJFWSA-N 322.409 -0.865 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)COCC2CC2)C1 1752551431 IFQKCNMCBWAFMF-JSGCOSHPSA-N 307.394 -0.259 30 20 DBED C=CCNC(=O)[C@H](C)N[C@H]1C[C@H](NC(=O)Cc2n[nH]c(C)n2)C1 1752654121 SZXBSODEJPDCJL-DLOVCJGASA-N 320.397 -0.417 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@@H](CNC(=O)CCCOC)C1 1753120958 VFBGSVBTLOZOOO-KBPBESRZSA-N 309.410 -0.011 30 20 DBED C#CCNC(=O)CN1CC[C@H](CNC(=O)Cc2cncs2)C1 1753127860 WYKQCBJMGGIQAA-GFCCVEGCSA-N 320.418 -0.127 30 20 DBED CO[C@@H](C(=O)NC[C@@H]1CCN(CC(=O)NCC#N)C1)C(C)C 1753132706 CGWWMBVWPAFCGH-GXTWGEPZSA-N 310.398 -0.265 30 20 DBED C=CCN(C)C[C@@H]1CCN(C(=O)Cn2ccc(O)nc2=O)C1 1753350804 SFTLHUYRKOFLIV-LBPRGKRZSA-N 306.366 -0.085 30 20 DBED CN(CC(=O)NCC#N)C[C@@H]1CCN(C(=O)C[C@H]2CCCO2)C1 1753356444 MLTYUFJGACXRJE-UONOGXRCSA-N 322.409 -0.024 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@@H](N(C)C(=O)c2ncn(C)n2)C1 1753435345 QOUZLTQXDIHHHZ-VXGBXAGGSA-N 318.381 -0.901 30 20 DBED C=CCCOCC(=O)N(C)[C@H]1CCN([C@H]2CCC(=O)NC2=O)C1 1753449193 DPNFSXCWSYZXOY-STQMWFEESA-N 323.393 -0.083 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@@H](C)NC(=O)c1cn(CC=C)nn1 1754243923 HQGRSUQEAITNFN-VXGBXAGGSA-N 318.381 -0.690 30 20 DBED CC(C)CNC(=O)CN1CC[C@](O)(CNC(=O)C#CC2CC2)C1 1754749467 VYDREHOLUPSFGN-KRWDZBQOSA-N 321.421 -0.275 30 20 DBED C=CCN1CC[C@](O)(CNC(=O)c2cnn(CCOC)c2)C1 1754761461 WTIUFEAXWPTPNX-HNNXBMFYSA-N 308.382 -0.118 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCCN(C(=O)c3cocn3)[C@@H]2C1 1754869956 ANANJELHAPCUGD-GXTWGEPZSA-N 316.361 -0.040 30 20 DBED C=CCNCC[C@@H]1CCN(C(=O)CNS(=O)(=O)NC)C1 1754923440 OYXXRBWCJPEKSB-LLVKDONJSA-N 304.416 -0.946 30 20 DBED Cc1c(C(=O)N2C[C@H](C)[C@@H](NCC(=O)NCC#N)C2)cnn1C 1755103413 MBWOVMHRQQNONQ-GWCFXTLKSA-N 318.381 -0.582 30 20 DBED C#CCCN[C@H]1CN(C(=O)CCCS(N)(=O)=O)C[C@H]1C 1755114158 POZLSVJZMPCEGN-NEPJUHHUSA-N 301.412 -0.485 30 20 DBED O=C(C#CC1CC1)N1CCC(O)(CNCc2cnon2)CC1 1755148877 MTVYYVCWIIJOHF-UHFFFAOYSA-N 304.350 -0.074 30 20 DBED C=CCNC(=O)CN[C@@H](C)[C@H](C)NC(=O)C1(C(=O)NC)CC1 1755255002 BTVXVZAFRSJRSW-QWRGUYRKSA-N 310.398 -0.702 30 20 DBED C#CCNC(=O)CN[C@@H](C)[C@@H](C)NC(=O)c1cnc(C)nc1C 1755260771 UZMAWQARYGDBRN-WDEREUQCSA-N 317.393 -0.061 30 20 DBED C#CCNC(=O)CN[C@H](C)CN(C)C(=O)[C@H]1CCCC(=O)N1C 1755614399 NRCPOXQEVCOYFF-CHWSQXEVSA-N 322.409 -0.817 30 20 DBED C#CCOCCC(=O)N1C[C@@H]2[C@@H](CCC[C@H]2NCC(=O)NC)C1 1755707068 PRQAGOKYNJUHJE-RRFJBIMHSA-N 321.421 -0.011 30 20 DBED COCC#CCN(C)C[C@H](O)CN(C)C(=O)[C@@H](C)n1cccn1 1755798665 YPLYFRVHTOARPZ-CABCVRRESA-N 322.409 -0.155 30 20 DBED C=CCOCC(=O)N1CC(CCO)(NC(=O)c2c[nH]nc2C)C1 1756085837 WXGLUENYGYBIRV-UHFFFAOYSA-N 322.365 -0.386 30 20 DBED C=CCCC(=O)N1CC(CCO)(NC(=O)c2c[nH]c(=O)cn2)C1 1756087824 PQIXFTCFNKRWRZ-UHFFFAOYSA-N 320.349 -0.571 30 20 DBED C#CCNC(=O)CC(=O)NCC1(CCNC(=O)C(F)F)CC1 1756889673 PEWJLFXNKFMKBH-UHFFFAOYSA-N 315.320 -0.206 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@H]1C[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 1757316953 CHLWWNNQLXHZQI-OYFAQSGBSA-N 323.393 -0.554 30 20 DBED Cn1nccc1[C@@H](NS(=O)(=O)c1ccc(C#N)cn1)C(=O)O 1777565138 NQOHZRJTBCFSER-LLVKDONJSA-N 321.318 -0.209 30 20 DBED C#CCNS(=O)(=O)c1cccc(C(=O)O[C@H](C)C(N)=O)c1 16558367 VGICWXCCSNYWGD-SECBINFHSA-N 310.331 -0.371 30 20 DBED CC[C@@H](C#N)OC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 84697550 BEBNDKWWAZRBOB-QMMMGPOBSA-N 305.294 -0.721 30 20 DBED CS(=O)(=O)N[C@@H]1CCC[C@@H]1C/N=C(\N)N1CCOCC1 134115927 RIAQTTXKROTVTO-GHMZBOCLSA-N 304.416 -0.649 30 20 DBED CCn1cc(C#N)c(=O)n(CCCNC(=O)C(F)(F)F)c1=O 151766742 OUQJXQMRGKVHPG-UHFFFAOYSA-N 318.255 -0.030 30 20 DBED N#CCc1ccc(S(=O)(=O)N[C@@H](CC(=O)O)C(=O)O)cc1 166514803 DNPJBQSZRXBYKH-JTQLQIEISA-N 312.303 -0.041 30 20 DBED C#C[C@H](C)NS(=O)(=O)CCCS(=O)(=O)N[C@H](C)C#C 195473787 GTHUYTBLHWCLSR-PHIMTYICSA-N 306.409 -0.741 30 20 DBED CC(C)C(=O)NCC/N=C(\N)N1CCN(c2ncccn2)CC1 264055287 AQNWVPBUDYKQNW-UHFFFAOYSA-N 319.413 -0.315 30 20 DBED N#Cc1cccc(CS(=O)(=O)NCCN2CCNC(=O)C2)c1 272660201 HSVZJYSXXOVDOV-UHFFFAOYSA-N 322.390 -0.591 30 20 DBED C#CCN(C)C(=O)C(=O)N1CCN(c2cc(OC)ccn2)CC1 297729755 OFGBOOTZNDYQHD-UHFFFAOYSA-N 316.361 -0.170 30 20 DBED C#CCCN1CCN(C(=O)[C@@H]2CC(=O)N(CCOC)C2)CC1 299309951 JKVDJPYZHBFSOL-CQSZACIVSA-N 307.394 -0.351 30 20 DBED CCc1nc2n(n1)C[C@H](/N=C(/O)c1cn(C)c(=O)nc1O)CC2 329322386 URSVTEHGJAKWGZ-MRVPVSSYSA-N 318.337 -0.041 30 20 DBED C[C@H](C(=O)N(C)CC(=O)N1CCOC[C@@H]1C#N)n1cccn1 330925044 GKLIMRYVROTMAW-NEPJUHHUSA-N 305.338 -0.347 30 20 DBED CC[C@@H](N/C(O)=N/CC(=O)N(C)CC)C(=O)N1CCOCC1 331043814 GFFKODRSPAOITQ-LLVKDONJSA-N 314.386 -0.394 30 20 DBED N#Cc1ncn(CCNC(=O)c2cnc(O)c([N+](=O)[O-])c2)n1 342882320 LRIIDFHBABMGBG-UHFFFAOYSA-N 303.238 -0.411 30 20 DBED Cc1ccc(C(=O)NCCNC(=O)NCC(=O)NCC#N)cc1 344827803 NQTOJXPNXWWOLM-UHFFFAOYSA-N 317.349 -0.336 30 20 DBED CN(C)CCCN(CCC#N)C(=O)CN1C(=O)CN(C)C1=O 346507910 KHKBQTMJEWMLQA-UHFFFAOYSA-N 309.370 -0.426 30 20 DBED C=CCNC(=O)CNC(=O)NC[C@@H]1CC[C@H](C(=O)N(C)C)O1 346811568 ROJYKPCDLWPTRJ-WDEREUQCSA-N 312.370 -0.776 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CCC[C@@H]([C@@H](C)N)C2)nn1 424537398 CDBLDOJLOQHVBX-VXGBXAGGSA-N 320.397 -0.334 30 20 DBED COCC(C)(C)N1CCN(C(=O)Cn2cnc(C#N)n2)CC1 424989201 HUCZTVGBLBKDEI-UHFFFAOYSA-N 306.370 -0.281 30 20 DBED Cc1c(C#N)cccc1NC(=O)C(=O)NCCCS(N)(=O)=O 431960646 OBRUNKGHADNYJZ-UHFFFAOYSA-N 324.362 -0.400 30 20 DBED C=CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@H](O)CO)cc1 446807023 VMUSWAZUVHEKQB-LBPRGKRZSA-N 321.333 -0.990 30 20 DBED CO[C@@H]1COC[C@@H]1NCC(=O)N1CCN([C@H](C#N)C(C)C)CC1 459833764 VBEDMEJNZXRBEB-RRFJBIMHSA-N 324.425 -0.318 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CCO[C@H](C)C2)CC1 491095463 LAPMEZMJGJPOOR-ZIAGYGMSSA-N 307.394 -0.305 30 20 DBED C#CCNC(=O)C1CCN(CC(=O)N2CCN(C)CC2)CC1 491103521 PJCPBRABRCGBJF-UHFFFAOYSA-N 306.410 -0.778 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCN(C(=O)C2CC2)CC1 548758167 AHZCHFSMCGRJKQ-NSHDSACASA-N 314.411 -0.123 30 20 DBED N#C[C@@H]1CN(C(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)CCO1 559613914 RHYWMUDQSIAVJK-UTUOFQBUSA-N 303.318 -0.311 30 20 DBED N#CCC1(CS(=O)(=O)N2CCN(C(=O)CO)CC2)CC1 565239154 JNFUBVFGLTWFAP-UHFFFAOYSA-N 301.368 -0.853 30 20 DBED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1cncc(OC)n1 571646401 BTPWEJFYISVQSE-ZWNOBZJWSA-N 320.349 0.521 30 20 DBED COC(=O)c1ccc(NC[C@@H](O)Cn2ccnn2)c(C#N)n1 577124100 GRRLPWORGNMCNW-SECBINFHSA-N 302.294 -0.196 30 20 DBED COC(=O)[C@H]1CN(Cc2cnc3c(C#N)cnn3c2)CCO1 583084241 HBAJNWLZZLGACT-GFCCVEGCSA-N 301.306 -0.025 30 20 DBED CCN(CCC#N)C(=O)C(=O)Nc1ccn(C(C)(C)C(=O)O)n1 595237999 MXZMSCWXBOLONZ-UHFFFAOYSA-N 321.337 0.403 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCN(C)C[C@@H]1CO 601469009 ISCGUWLOMGTIOR-VXGBXAGGSA-N 304.416 -0.679 30 20 DBED CS(=O)(=O)NC1CC(NC(=O)N2CCO[C@H](C#N)C2)C1 619825963 MJOITCCUCGROQI-UDNWOFFPSA-N 302.356 -0.999 30 20 DBED C=CC[C@H]1CCCN(C(=O)C(=O)N2CCO[C@@H](C(=O)NC)C2)C1 658688402 NBQJLTMQVXRFFR-QWHCGFSZSA-N 323.393 -0.226 30 20 DBED NC(=O)C[C@@H]1CCN(CC#CCN2CC[C@@H](CC(N)=O)C2)C1 676923109 BQJSQAPYGJQJMK-KBPBESRZSA-N 306.410 -0.616 30 20 DBED N#C[C@H]1CN(C(=O)CS[C@H]2CCS(=O)(=O)C2)CCO1 701338401 YWHCBLWMDJPSLM-UWVGGRQHSA-N 304.393 -0.342 30 20 DBED C=CCS(=O)(=O)NC(=O)CN1C(=O)NC2(CCCC2)C1=O 772709989 KSXSNWKXAVXUSO-UHFFFAOYSA-N 315.351 -0.517 30 20 DBED C=CCS(=O)(=O)NC(=O)c1ccc(=O)n(CCOC)c1 772715463 MYFVNFGACIUHJX-UHFFFAOYSA-N 300.336 -0.260 30 20 DBED C=C(CC)COC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 773519642 MGZDHARBPBGFKY-UHFFFAOYSA-N 315.351 -0.099 30 20 DBED N#CCNC(=O)CNC(=O)NCCNc1ccc(C#N)cn1 804960450 XRYWMUMRGPPWIL-UHFFFAOYSA-N 301.310 -0.696 30 20 DBED CNC(=O)CNC(=S)NN=Cc1cnn(CC(F)F)c1 814222004 UXDNQPZFEXKUGC-UHFFFAOYSA-N 304.326 -0.308 30 20 DBED CC(C)C#CC(=O)N[C@H](C)C(=O)N1CCS(=O)(=O)CC1 825875090 YXZXGHRMGBVLSR-LLVKDONJSA-N 300.380 -0.593 30 20 DBED CNCCCNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 832367747 UEALIFPAWXRIGU-UHFFFAOYSA-N 324.406 -0.159 30 20 DBED CNS(=O)(=O)c1csc(C(=O)N[C@H]2CNC[C@@H]2C#N)c1 834480556 RZFJQAWHNWQQAN-CBAPKCEASA-N 314.392 -0.502 30 20 DBED C=C(CN(C)C)C(=O)NC1CCN([C@@H]2CCN(C)C2=O)CC1 843886502 SYBUGZXNBDWWKA-CQSZACIVSA-N 308.426 -0.085 30 20 DBED NC(=O)COc1cccc(C(=O)N[C@@H]2CCCN(O)C2=O)c1 848138126 MVYIKDFOZAXEIC-LLVKDONJSA-N 307.306 -0.339 30 20 DBED C#CCONC(=O)[C@](C)(O)CN1C(=O)NC2(CCCC2)C1=O 855607229 ZYCNVRHXBASUNQ-CYBMUJFWSA-N 309.322 -0.717 30 20 DBED N#CC1(CS(=O)(=O)NC(=O)[C@H]2CC[C@@H](C(=O)O)O2)CCC1 863958870 MBISERIMRHTNMV-BDAKNGLRSA-N 316.335 -0.242 30 20 DBED C#C[C@@H](NC(=O)N1C[C@H]2C(=O)N(C)C(=O)[C@H]2C1)[C@@H]1CCCO1 868513750 IDGVPIHYTBXOHI-KXNHARMFSA-N 305.334 -0.577 30 20 DBED C=CCn1cc(C(=O)N2CCN(c3n[nH]c(C)n3)CC2)nn1 898184235 IBVCZXSPHFYDDE-UHFFFAOYSA-N 302.342 -0.147 30 20 DBED CC(C)[C@@H](C#N)N1CCN(C(=O)C[C@H]2CC(=O)NC2=O)CC1 931385440 QGEOPYDNGXFFHW-VXGBXAGGSA-N 306.366 -0.268 30 20 DBED C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)C2)C1 938697942 DGGINUDIJCWYDT-QWRGUYRKSA-N 306.366 -0.259 30 20 DBED C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1NC(=O)c1nc[nH]n1 939061658 AFDIUTFADPWNQG-LDYMZIIASA-N 313.321 -0.105 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](N(C)C(=O)c2cn(C)c(O)n2)C1 939401424 KDZWIACYYUFZOD-UWVGGRQHSA-N 305.338 -0.042 30 20 DBED Cn1nncc1C(=O)NC1CCN(C(=O)C#CC2CC2)CC1 946689866 AFTYPXUEOMMODJ-UHFFFAOYSA-N 301.350 -0.051 30 20 DBED C=CCN1CC[C@H](N2CCN(C(=O)[C@H]3CCOC3)CC2)C1=O 948598937 HSPHXZMXJKFEAP-KBPBESRZSA-N 307.394 -0.046 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](CNC(=O)c2nnn(C)c2C)C1 957952908 IOFLAIALUZDNPG-GHMZBOCLSA-N 313.789 -0.101 30 20 DBED Cc1cnc2c(C(=O)NC[C@H]3CN(CC#N)C[C@H]3O)cnn2c1 958445127 VFQUVPPUEZFTTA-WCQYABFASA-N 314.349 -0.416 30 20 DBED N#CCN1C[C@H](CNC(=O)c2ccc(C(N)=O)s2)[C@@H](O)C1 958476533 LSTXANFZZZXBAJ-IUCAKERBSA-N 308.363 -0.607 30 20 DBED C#CCN1C[C@H](CNC(=O)c2ccc(=O)n(CCC)n2)[C@@H](O)C1 958661408 JSMFALWFTDNJPG-JSGCOSHPSA-N 318.377 -0.691 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cc2cnn(C)c2)C1 958725745 NKSFKGFDUBDQPA-WXHSDQCUSA-N 319.365 -0.848 30 20 DBED C#CCCN1C[C@@H](O)[C@@H](CNC(=O)c2ccc(C(N)=O)cn2)C1 958744403 MQIGEGZOYCYNBA-GXTWGEPZSA-N 316.361 -0.774 30 20 DBED C#Cc1cncc(C(=O)N[C@@H](C)[C@H]2CCN(C(=O)C(N)=O)C2)c1 959262705 XKHPWJJLMRYPFT-JQWIXIFHSA-N 314.345 -0.485 30 20 DBED N#Cc1ccccc1CN1C[C@H]2C(NC(=O)Cn3ncnn3)[C@@H]2C1 959888725 AICKQWYIGLWPDV-ZIAGYGMSSA-N 323.360 -0.209 30 20 DBED N#CCN1C[C@H]2C(NC(=O)c3cn(-c4cccnc4)nn3)[C@@H]2C1 960216120 VXHVYBQDNAPOGN-VXGBXAGGSA-N 309.333 -0.154 30 20 DBED Cc1nn[nH]c1C(=O)NC[C@@H]1COCCN1C(=O)[C@H](C)C#N 964284246 BGYDQBFWVYTURU-PSASIEDQSA-N 306.326 -0.770 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CN(C(=O)Cc3cc[nH]n3)CCO2)C1 965342931 IITNXZXUTOGEMU-LLVKDONJSA-N 317.349 -0.448 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC2(CN(C(=O)Cc3ccon3)C2)C1 965471760 KKQLJYBACCQZDP-NSHDSACASA-N 318.333 -0.183 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(C[C@H](NC(=O)c3ncc[nH]3)CO2)C1 965692235 WCJAMKQHVBWLPO-UWVGGRQHSA-N 303.322 -0.331 30 20 DBED C=CCN1CC[C@@H](C)[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C1 966520319 CPHVYTJGRKOZOW-CHWSQXEVSA-N 320.393 -0.440 30 20 DBED C=C1CC(C)(C(=O)N2C[C@H](C)[C@H](NC(=O)Cn3ncnn3)C2)C1 966802099 UUSWCZQVJXUERN-NWDGAFQWSA-N 318.381 -0.008 30 20 DBED C=CCn1cc(C(=O)N2C[C@@H]3CC[C@H](C2)N3C(=O)COC)nn1 968313445 IKEWATJGBHKOQH-TXEJJXNPSA-N 319.365 -0.074 30 20 DBED CO[C@H]1C[C@H](C(=O)N2CC[C@H](N(C)CC#N)C2)N(C(C)=O)C1 972017896 ZTPCDKGERAXHIO-MELADBBJSA-N 308.382 -0.322 30 20 DBED C=CCN1CCO[C@@]2(CCN(C(=O)C3CS(=O)(=O)C3)C2)C1 972398841 YXNLEIWCBFORTN-AWEZNQCLSA-N 314.407 -0.480 30 20 DBED Cn1nnc(C(=O)N[C@H]2C[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)n1 973190464 JQXDLLVAQYUSAT-KYZUINATSA-N 314.309 -0.899 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)Cn3ccccc3=O)[C@H]2C1 976489827 PHWLMYSYTAHUSG-UUIJZJDISA-N 314.345 -0.419 30 20 DBED N#Cc1c[nH]c(C(=O)N2C[C@H]3[C@H](NC(=O)c4nc[nH]n4)[C@H]3C2)c1 976980296 DLYBGFVAWWIOFW-JZYVYDRUSA-N 311.305 -0.495 30 20 DBED Cc1ncnc(O)c1C(=O)N[C@H]1[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]21 977016842 QBVGLPNRQIYTFY-BXSSEVMYSA-N 315.333 -0.163 30 20 DBED N#CCN1C[C@@H]2CC[C@H](NC(=O)CN3C(=O)CNC3=O)C[C@H]2C1 980249171 XDSXPGUXJRHEDK-SRVKXCTJSA-N 319.365 -0.722 30 20 DBED C=C(Cl)CN1CCCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 982043585 TVAVDKQVUSZMMY-JTQLQIEISA-N 314.773 -0.129 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)Cn3cnnn3)C[C@H]2C1 986594436 JVUUVXOIGYWDPZ-TUAOUCFPSA-N 317.353 -0.860 30 20 DBED Cc1nc(C(=O)N2CC[C@H](NCC#N)[C@H]2C)nn1-c1nc[nH]n1 986635790 QDBJDGBIEWFWOV-SCZZXKLOSA-N 315.341 -0.590 30 20 DBED N#Cc1c[nH]c(C(=O)NC2CN(C(=O)[C@@H]3CCCNC3=O)C2)c1 990712679 VJCHFGQGYXUOOF-LLVKDONJSA-N 315.333 -0.647 30 20 DBED Cn1ncc(C(=O)N2CC(NC(=O)c3c[nH]c(C#N)c3)C2)c1N 990931017 SRCAKGSTITVGLV-UHFFFAOYSA-N 313.321 -0.544 30 20 DBED Cc1nn[nH]c1C(=O)N[C@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1O 991654937 WSGBZZFEEAPCJD-RYUDHWBXSA-N 317.349 -0.782 30 20 DBED C=CCn1cc(C(=O)NC2CN(C(=O)[C@@]34COC[C@@H]3C4)C2)nn1 991686264 GZJLHTCURQKADI-BONVTDFDSA-N 317.349 -0.559 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@@H](C)OC)C1 1002829711 NYDYXUZGHCACIT-OCCSQVGLSA-N 307.394 -0.307 30 20 DBED C[C@H](NC(=O)c1ccc(C#N)[nH]1)C1CN(C(=O)CC(N)=O)C1 1005923700 FBNMWFPWRVFHPZ-QMMMGPOBSA-N 303.322 -0.662 30 20 DBED C=CCn1cc(C(=O)N[C@H](C)[C@@H]2CN(C(C)=O)CCO2)nn1 1009593145 POKOIZOQKMAUNO-MFKMUULPSA-N 307.354 -0.170 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C(=O)c2cn(C)c(=O)n2C)CC1 1011286293 MSJSHDNLYCTZFM-SNVBAGLBSA-N 305.338 -0.832 30 20 DBED COCC(=O)N1CCC[C@@H](C(=O)N2CCN(CC#N)CC2)C1 1018357458 DTUQHVSTXOTQFF-CYBMUJFWSA-N 308.382 -0.461 30 20 DBED C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2cnc(O)n(C)c2=O)C1 1025504787 FEBHKNFPYYJNGC-NWDGAFQWSA-N 318.377 -0.051 30 20 DBED C=CCCn1cc(C(=O)NC[C@H]2CCCN2CC(=O)NC)nn1 1028192315 KARVRHOGKCMFGU-GFCCVEGCSA-N 320.397 -0.206 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)Cn3cc(C)cn3)C2)C1=O 1030141915 TTYWJRCHNAASOH-AWEZNQCLSA-N 317.393 -0.221 30 20 DBED N#Cc1cccc(CN2CC(NC(=O)C3CS(=O)(=O)C3)C2)c1 1030368362 KHUUTKNWGNFJDH-UHFFFAOYSA-N 319.386 -0.097 30 20 DBED C=CCN1CC[C@@H](N2CCCC[C@@H](NC(=O)C(N)=O)C2)C1=O 1034373909 ZCJCZWMWXFJGKF-VXGBXAGGSA-N 308.382 -0.771 30 20 DBED C#CCCN1CCO[C@@H](CNC(=O)c2ccn(CCOC)n2)C1 1035442488 MIWCFQXXEBGJQW-AWEZNQCLSA-N 320.393 -0.017 30 20 DBED C#CCN1CCO[C@H](CNC(=O)[C@H]2C[C@H](OC)CN2C(C)=O)C1 1035456841 CBWDTKTUSNHUQC-RRFJBIMHSA-N 323.393 -0.928 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)[C@H]2COCCN2CCCC)C1 1035458291 HMVRUKIFEMGLHY-JKSUJKDBSA-N 323.437 -0.063 30 20 DBED C=CCN1CCO[C@H](CNC(=O)[C@H]2CCCS2(=O)=O)C1 1035612379 YMVUYJYXJYELGP-VXGBXAGGSA-N 302.396 -0.433 30 20 DBED C=C(C)CN1CC[C@@H]2CN(C(=O)CN3CCNC(=O)C3)CC[C@@H]21 1036793103 YRRHAMJLNITKEO-CABCVRRESA-N 320.437 -0.083 30 20 DBED CCCOCC(=O)N1CC[C@](O)(CNC(=O)C#CC2CC2)C1 1039677226 GBKDNUVZHUFALQ-INIZCTEOSA-N 308.378 -0.094 30 20 DBED C#CCOCCC(=O)NC[C@]1(O)CCN(C(=O)C(F)F)C1 1039719478 VFMBVSPCGUFXPI-CYBMUJFWSA-N 304.293 -0.629 30 20 DBED C=CCCC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2CCN(C)C2)C1 1039757446 RQXGFGCRKHVMQQ-CZUORRHYSA-N 309.410 -0.016 30 20 DBED C=CCOCC(=O)N1CC[C@](O)(CNC(=O)c2cnco2)C1 1040388399 PSKLWLLSPQITOR-AWEZNQCLSA-N 309.322 -0.430 30 20 DBED C#CCCCCCC(=O)NC[C@]1(O)CCN(C(=O)CC(N)=O)C1 1040491035 NRUFQCCXWJDUHX-MRXNPFEDSA-N 323.393 -0.475 30 20 DBED CC#CCCCC(=O)NC[C@@]1(O)CCN(C(=O)CNC(C)=O)C1 1040605357 IGUQIPNOPNZZLQ-INIZCTEOSA-N 323.393 -0.604 30 20 DBED C[C@@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)c2cnnc(O)c2)C1 1040759162 FKCRGZVHRBQUNT-LKFCYVNXSA-N 319.321 -0.965 30 20 DBED C=C1CC(C)(C(=O)NC[C@@]2(O)CCN(C(=O)CC(=O)NC)C2)C1 1040851104 USOHZCFVNSVXJU-INIZCTEOSA-N 323.393 -0.442 30 20 DBED N#Cc1nccnc1N1C[C@@H](O)[C@H](NC(=O)c2cncnc2)C1 1040995243 GYWCWMUXEHZBSB-VXGBXAGGSA-N 311.305 -0.882 30 20 DBED N#CCSCC(=O)N1CC(O)(CNC(=O)c2cccnc2)C1 1041193601 AHDAACCSSYCBJA-UHFFFAOYSA-N 320.374 -0.359 30 20 DBED CC#CCN1CC[C@@]2(CCN(C(=O)Cn3cnnc3O)C2)C1 1041229343 WGXDMYIKUYYCRZ-OAHLLOKOSA-N 303.366 -0.069 30 20 DBED C#CCCCCC(=O)NCC1(O)CN(C(=O)c2ccnnc2)C1 1042664090 NJYRWOGAWMQZAO-UHFFFAOYSA-N 316.361 -0.027 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)CC2OCCCO2)C1 1042802243 HLUYYYBPLWVFCD-UHFFFAOYSA-N 324.377 -0.368 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(O)CN(C(=O)[C@H](C)OCC)C1 1042806371 GBCNHLSTCJUKNH-SMDDNHRTSA-N 314.382 -0.572 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]2C2CC2)C1 1043228558 OFJTZSSZGCGMPU-QWHCGFSZSA-N 308.378 -0.075 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(O)(CNC(=O)c2nonc2C)C1 1043717213 LDNBVRKBJNTURF-CYBMUJFWSA-N 324.337 -0.992 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)COc2cccnc2)C1 1043891537 RMGVAANWUFZYCI-NSHDSACASA-N 318.333 -0.690 30 20 DBED COCc1nocc1C(=O)NCC1(O)CN(C(=O)[C@@H](C)C#N)C1 1043908493 FKXWXFKASSPLIL-VIFPVBQESA-N 322.321 -0.716 30 20 DBED C=CCN[C@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)[C@H](C)C1 1044872118 NTORZHXDYSFZKS-MNOVXSKESA-N 306.370 -0.468 30 20 DBED Cc1[nH]nc(C(=O)N2CCN([C@H]3CCN(CC#N)C3)CC2)c1O 1046023220 IIUSSQMYNWHFBJ-LBPRGKRZSA-N 318.381 -0.221 30 20 DBED C#CCN1CC[C@H](N2CCN(C(=O)c3cnn(CC)n3)CC2)C1 1046025550 ICFRBGJSPOQRMZ-AWEZNQCLSA-N 316.409 -0.237 30 20 DBED C=CCCC(=O)N(C)[C@H]1CN(C(=O)CN(C)C(C)=O)C[C@@H]1O 1048505670 CCXANUPWQNNOLV-STQMWFEESA-N 311.382 -0.539 30 20 DBED CC(C)C#CC(=O)N[C@@H](C)[C@@H]1CCN(C(=O)Cn2cnnn2)C1 1049969294 QYAMDCQRLBTZRD-QWHCGFSZSA-N 318.381 -0.314 30 20 DBED N#CCN1CCOC[C@@H]1CNC(=O)c1cncc(C(N)=O)c1 1051250118 JSFJLLWZBYYDLQ-LBPRGKRZSA-N 303.322 -0.865 30 20 DBED N#Cc1nccnc1N1CC[C@@H](NC(=O)c2ccon2)[C@@H](O)C1 1051632393 PYMPBMKHLSPFIT-SKDRFNHKSA-N 314.305 -0.294 30 20 DBED C=CCN1CC2(C1)CN(C(=O)[C@@H]1CN(CC)CCO1)CCO2 1053538183 VCPFOCFTNCPDTL-AWEZNQCLSA-N 309.410 -0.194 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)c3ccc(OC)nn3)CO2)C1 1053974935 WHJHXJVIFZKZDU-NSHDSACASA-N 302.334 -0.309 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)c3cnn(C)c3OC)CO2)C1 1053994982 RAEREXHJODAGPR-NSHDSACASA-N 304.350 -0.365 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@@H]2CN(C(=O)CCN(C)C)C[C@@H]2C1 1055339280 BGDHZXWQIVXSHB-KFWWJZLASA-N 321.421 -0.107 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@](CO)(NC(=O)CCN(C)C)C1 1056103803 SMHCLGBAFUQAOD-WFASDCNBSA-N 310.398 -0.433 30 20 DBED N#CCSCC(=O)N(CCO)CCNC(=O)c1cccnn1 1057030048 INQIDFPRHIZFPV-UHFFFAOYSA-N 323.378 -0.716 30 20 DBED Cn1nncc1C(=O)N[C@H]1CCCN(c2cnc(C#N)cn2)C1 1058152116 KQDLLKCLFGGTPD-JTQLQIEISA-N 312.337 -0.124 30 20 DBED N#Cc1nc(=N[C@H]2CCN(C(=O)CCn3ccnn3)C2)cc[nH]1 1058855547 CBNDAHNVPVRPMN-NSHDSACASA-N 312.337 -0.535 30 20 DBED C[C@@]1(C(=O)N[C@H]2C[C@H](Nc3cncc(C#N)n3)C2)CCNC1=O 1059410206 SXOPRHOKHFLVAZ-IQMDTDKHSA-N 314.349 -0.066 30 20 DBED C#CCO[C@@H](C)C(=O)NCC[C@@H]1CCN(C(=O)c2nc[nH]n2)C1 1060111560 DESLMVQRZONEAR-NWDGAFQWSA-N 319.365 -0.189 30 20 DBED N#Cc1cnc(NC[C@@H]2CCN(C(=O)[C@H]3CCC(=O)N3)C2)cn1 1060827729 XAFQXOZKGPXEFM-CMPLNLGQSA-N 314.349 -0.113 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H]1CCN(C(=O)Cn2nccn2)C1 1060925750 WMZZKYNYZVCHEW-LBPRGKRZSA-N 311.349 -0.073 30 20 DBED CC(C)C#CC(=O)N1CCOC[C@@H]1CNC(=O)C(C)(C)C(N)=O 1061657210 FDIXLEZCIRSIQB-LBPRGKRZSA-N 323.393 -0.499 30 20 DBED CC#CCCCC(=O)NC[C@H]1COCCN1C(=O)CNC(C)=O 1061784414 HHBNMMIZEGGUIN-AWEZNQCLSA-N 323.393 -0.340 30 20 DBED C#CCCCC(=O)NC[C@H]1CCCCN1C(=O)Cn1cnnn1 1061998338 ZYKRUJKDDPPSGR-CYBMUJFWSA-N 318.381 -0.026 30 20 DBED Cc1nc(CC(=O)N2C[C@@H]3C[C@H]2CN3c2nccnc2C#N)n[nH]1 1062488365 ZYAURUZTXYZATI-QWRGUYRKSA-N 324.348 -0.193 30 20 DBED C#CCO[C@H](C)C(=O)NC1(CNC(=O)[C@H]2COCCO2)CCC1 1062594510 ZOULVIVLZKLMTO-CHWSQXEVSA-N 324.377 -0.405 30 20 DBED C#CCOCCC(=O)NC1(CNC(=O)[C@H](C)CC(N)=O)CCC1 1063903181 MQKUNNMRMILINN-GFCCVEGCSA-N 323.393 -0.307 30 20 DBED C=CCCC(=O)N1CCO[C@@H](CNC(=O)c2cnn(C)c2N)C1 1064956510 YXXZHDRIJJTZLE-NSHDSACASA-N 321.381 -0.074 30 20 DBED C=CCOCC(=O)N1CCO[C@H](CNC(=O)[C@@H](C)COC)C1 1064977832 XQTNXECJRQIPKM-QWHCGFSZSA-N 314.382 -0.185 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)[C@H]2CCN(C)C2)CCO1 1065169621 OSPMJVFEDSJZIN-LSDHHAIUSA-N 321.421 -0.059 30 20 DBED C=CCCCC(=O)NC[C@@H]1CN(C(=O)Cn2cncn2)CCO1 1065636644 KEMFKRMUGZLNPC-CYBMUJFWSA-N 321.381 -0.022 30 20 DBED C[C@H](Nc1ccc(C#N)nn1)[C@H]1CCN(C(=O)CC(N)=O)C1 1065683600 CKKYSWMASLUHFW-UWVGGRQHSA-N 302.338 -0.127 30 20 DBED N#Cc1nc(=NCC2CC(NC(=O)Cn3cncn3)C2)cc[nH]1 1067848787 UTQSSOMEFJLESW-UHFFFAOYSA-N 312.337 -0.631 30 20 DBED C[C@@H]1C[C@@H](CN=c2cc[nH]c(C#N)n2)CN1C(=O)c1nc[nH]n1 1068342324 WBKVKNQCBJKUEJ-ZJUUUORDSA-N 312.337 -0.149 30 20 DBED C#CCOCCC(=O)N[C@H]1COC2(C1)CN(C(=O)[C@@H](C)C#N)C2 1068868378 NGFVZRFHVYKZSK-QWHCGFSZSA-N 319.361 -0.328 30 20 DBED C[C@H]1C[C@H](Nc2nccnc2C#N)CN1C(=O)Cn1cnnn1 1069006591 UIDKHGYXTUXHFP-UWVGGRQHSA-N 313.325 -0.564 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)[C@@H]2CCOC2)CCOCC1 1070231092 MQALSZTVZGOBRG-VXGBXAGGSA-N 309.366 -0.036 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CCCN(C(=O)C2CS(=O)(=O)C2)C1 1070783247 GKYTYLFRIYTPMM-MWLCHTKSSA-N 313.379 -0.702 30 20 DBED Cc1nn[nH]c1C(=O)N1C[C@@H](C)O[C@@]2(CCN(CC#N)C2)C1 1071196884 JWSCDPKKZHDJFA-QMTHXVAHSA-N 304.354 -0.058 30 20 DBED C#CCN1CCN([C@H]2CCCN(C(=O)[C@@H]3CCCO3)C2)C(=O)C1 1071254035 UUBPBJAQFUNZCG-GJZGRUSLSA-N 319.405 -0.066 30 20 DBED CCC(=O)N1CC[C@H](C(=O)NC[C@H]2CN(CC#N)CCCO2)C1 1073848552 WJZDTNKPACYDNU-KBPBESRZSA-N 322.409 -0.024 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)c3ccc(O)nn3)C[C@H]21 1074159717 JLEVXQJHHUQYHY-CHWSQXEVSA-N 302.334 -0.269 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CNC(=O)c3ccccc32)C1 1077147502 RZPFBPSZORBCPQ-RBSFLKMASA-N 313.357 -0.692 30 20 DBED C=CCOCC(=O)NC1(CO)CCN(C(=O)c2cnon2)CC1 1080772880 CGOIJOSSAOVMJV-UHFFFAOYSA-N 324.337 -0.645 30 20 DBED N#CCSCC(=O)NC[C@@H]1CN(C(=O)c2cn[nH]c2)C[C@H]1O 1081286887 QNCWFDHDDBNNAN-GHMZBOCLSA-N 323.378 -0.784 30 20 DBED C=CCCC(=O)N1C[C@H](CNC(=O)CCc2nc[nH]n2)[C@@H](O)C1 1081388902 QJUUAOXIYSXPJO-RYUDHWBXSA-N 321.381 -0.361 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1O 1081462804 FQKSQYDXEMXDDM-MNOVXSKESA-N 305.338 -0.987 30 20 DBED C#CCCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CCOCC#C)C1 1081487967 BFOVHIWCYQUGGB-LSDHHAIUSA-N 320.389 -0.235 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)CCc2cnn[nH]2)C1 1081779034 HVAMQDVBZQWCCQ-DGCLKSJQSA-N 321.381 -0.361 30 20 DBED C#CCCCC(=O)N1CCCC[C@H]1CNC(=O)Cn1ncnn1 1082037928 KGTZVSWEUZYRBE-ZDUSSCGKSA-N 318.381 -0.026 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1ccc(C(N)=O)cc1 1082365365 XOGKOJWNWZUIPI-CHWSQXEVSA-N 302.334 -0.262 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](NC(=O)CC2CS(=O)(=O)C2)C1 1083585437 WHNOUHYLKWIGDJ-OLZOCXBDSA-N 316.423 -0.451 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2ccnn2C2CCOCC2)C1 1083848338 XGPGEUZUSRIRLM-HIFRSBDPSA-N 318.377 -0.357 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)Cc2nc3ncccn3n2)C1 1084057012 YSUXNYXNIDXZJI-NEPJUHHUSA-N 316.365 -0.596 30 20 DBED Cc1cc(C)n(CC(=O)N[C@H]2CCN(CC#N)[C@@H]2C)c(=O)n1 1088944508 LJHYKDIUWNQXNE-OLZOCXBDSA-N 303.366 -0.037 30 20 DBED CNC(=O)CC(=O)N[C@@H](C)C[C@@H](C)N=c1cc[nH]c(C#N)n1 1089282685 HCZXGZJYNYLHOY-ZJUUUORDSA-N 304.354 -0.399 30 20 DBED N#CCN1C[C@@H](NC(=O)Cn2ncnn2)CC2(CCOCC2)C1 1089939220 ONEFWZJKYZUPQC-LBPRGKRZSA-N 319.369 -0.816 30 20 DBED C=C(Cl)CN1CC[C@@H](NC(=O)C2CN(C(C)=O)C2)[C@H](O)C1 1090214082 UMWVFVVWRAMKLS-CHWSQXEVSA-N 315.801 -0.231 30 20 DBED N#CCN1CC[C@H](NC(=O)Cn2ccc(C(F)F)n2)[C@H](O)C1 1090314961 GPYNWVWWPINIDE-GXSJLCMTSA-N 313.308 -0.104 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2cnc3nccn3c2)[C@H](O)C1 1090430941 QWZFFQVCYXXFTG-UONOGXRCSA-N 313.361 -0.082 30 20 DBED N#Cc1cnc(N[C@H]2C[C@H](CNC(=O)Cn3cnnn3)C2)cn1 1091425859 DXBPSLOBVCEICH-MGCOHNPYSA-N 313.325 -0.658 30 20 DBED C#CCCN1C[C@@H]2CN(C(=O)C[C@H]3CC(=O)NC3=O)C[C@]2(C)C1 1092330695 MCKWRRDXAAVAMO-XNJGSVPQSA-N 317.389 -0.157 30 20 DBED CCC(=O)NCC(=O)N1CCN(c2ccc(C#N)nn2)CC1 1093149645 FTLVECYBPGXEAZ-UHFFFAOYSA-N 302.338 -0.477 30 20 DBED C#CCN1CC(OC2CCN(C(=O)[C@@H]3CC[C@H]3C(N)=O)CC2)C1 1093557743 IHJGBXASKRNNRB-HUUCEWRRSA-N 319.405 -0.177 30 20 DBED C=C1CC(C)(C(=O)N[C@H]2CC(=O)N(C3CN(CC(N)=O)C3)C2)C1 1094781940 DRNAOUHEASYVGG-NSHDSACASA-N 320.393 -0.771 30 20 DBED N#Cc1nc(=NCCCCCCNC(=O)CC(N)=O)cc[nH]1 1094941347 QMIRBWVGMZWMJX-UHFFFAOYSA-N 304.354 -0.266 30 20 DBED CCC(=O)NCC(=O)N1CC[C@@H](Nc2cncc(C#N)n2)C1 1095026792 LDDIHELPAGBRAJ-SNVBAGLBSA-N 302.338 -0.113 30 20 DBED N#CCN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN1CCC(=O)NC1=O)C2 1095034176 KQLAMZDVSLAJGB-TUAOUCFPSA-N 319.365 -0.579 30 20 DBED C[C@@H](CC(N)=O)C(=O)N1CCC(N=c2cc[nH]c(C#N)n2)CC1 1095243949 HDJUIMNAYUVNQF-JTQLQIEISA-N 316.365 -0.315 30 20 DBED CC(=O)NCC(=O)NCCCN(c1ccc(C#N)nn1)C1CC1 1096004402 WZNNIUFHLISTHB-UHFFFAOYSA-N 316.365 -0.041 30 20 DBED CS(=O)(=O)CC(=O)N[C@@H]1CCCN(c2ccc(C#N)nn2)C1 1096151238 HOVUIBNOGMEUPT-LLVKDONJSA-N 323.378 -0.522 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(c2ncnc3c2nnn3C)C1 1096334405 JLBXOKBIXWDCIG-JTQLQIEISA-N 317.353 -0.344 30 20 DBED C[C@@H](C(=O)N[C@@H]1CCN(c2cnc(C#N)cn2)C1)S(C)(=O)=O 1096502549 QTUCUKNXUHCOKM-VHSXEESVSA-N 323.378 -0.524 30 20 DBED N#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H]1CCc2nnc(O)n2C1 1097368875 ZWMMGTKOGPRBPM-KKOKHZNYSA-N 316.365 -0.209 30 20 DBED C[C@H](CS(C)(=O)=O)C(=O)NC[C@@H](C)N=c1cc[nH]cc1C#N 1097895850 FTZIPBRRGAIQDR-GHMZBOCLSA-N 324.406 -0.028 30 20 DBED C[C@H](CNC(=O)[C@H]1CCCNC1=O)Nc1ccc(C#N)nn1 1098120179 ABVGILBJRJKUJD-KOLCDFICSA-N 302.338 -0.209 30 20 DBED C[C@H](CNC(=O)[C@H]1CCN(C)C1=O)N=c1cc[nH]c(C#N)n1 1098194003 MXZMRSAZADSVIY-NXEZZACHSA-N 302.338 -0.835 30 20 DBED CCn1nncc1C(=O)N1CCC(N(CC#N)CCO)CC1 1098360561 LBRQTRPNWJAHJQ-UHFFFAOYSA-N 306.370 -0.280 30 20 DBED C[C@@H](CCNC(=O)CS(C)(=O)=O)Nc1cnc(C#N)cn1 1098854172 WLOHWVFQWDFQND-VIFPVBQESA-N 311.367 -0.300 30 20 DBED C#CCN1CC[C@@H](NC(=O)CNC(=O)c2ccoc2C)[C@H](O)C1 1099846703 ACEIFQOHYPQRRR-ZIAGYGMSSA-N 319.361 -0.498 30 20 DBED C=CCCCN1CC[C@@H](NC(=O)c2nnc(O)nc2O)[C@H](O)C1 1099904661 ZQCOCSGNRXFCJH-NXEZZACHSA-N 323.353 -0.586 30 20 DBED N#CCN1CC[C@@H](NC(=O)CCc2ccc(O)nc2)[C@@H](O)C1 1099970409 XBTFCYXLXAJWSV-OLZOCXBDSA-N 304.350 -0.205 30 20 DBED C=C[C@](C)(O)CC(=O)NCCN(C)c1ccc2nnnn2n1 1100042541 DEPHVFKLQWSPDK-ZDUSSCGKSA-N 305.342 -0.601 30 20 DBED Cc1nc(O)[nH]c1C(=O)NCCN(C)c1ccnc(C#N)n1 1100189553 OVQNXIMULHTFMI-UHFFFAOYSA-N 301.310 -0.048 30 20 DBED CN1C[C@@H](C(=O)NCCN(C)c2ccc(C#N)cn2)CC1=O 1100384115 ZMDJOXYYHFRQJG-LBPRGKRZSA-N 301.350 -0.016 30 20 DBED CCN(CCNC(=O)C(=O)NCC1CC1)c1cnc(C#N)cn1 1100595632 CEXDLIQPBQVATJ-UHFFFAOYSA-N 316.365 -0.183 30 20 DBED CCN(CCNC(=O)[C@@]1(C)CNC(=O)C1)c1cnc(C#N)cn1 1100671277 VGMKTBSDVBNLKT-OAHLLOKOSA-N 316.365 -0.183 30 20 DBED N#Cc1nccc(N2CCC[C@@H]2CNC(=O)Cn2cnnn2)n1 1100776768 QWNDCHZYZVNCAA-SNVBAGLBSA-N 313.325 -0.880 30 20 DBED N#Cc1cnc(N2CC[C@H](CNC(=O)C3(C(N)=O)CC3)C2)cn1 1101049167 ZRRZAJLKHINJHT-SNVBAGLBSA-N 314.349 -0.444 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CN(CCN2CCNC2=O)C[C@H]1C 1101823449 BLUPNVZTTDQYCV-YNEHKIRRSA-N 307.398 -0.145 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H]1CN(CC(=O)NCC)C[C@H]1C 1101964531 QRFXRPRAPRNQQC-HZSPNIEDSA-N 309.410 -0.155 30 20 DBED C#CCN1C[C@@H](C)[C@H](CNC(=O)CN2CCN(C)C(=O)C2)C1 1102106373 KCSPGYYQSRXSHL-ZIAGYGMSSA-N 306.410 -0.922 30 20 DBED C=CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)CCN(C)C)C1 1102314473 KLEULEHWQPYGCR-ZIAGYGMSSA-N 310.442 -0.076 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](C)[C@H](CNC(=O)c2nc[nH]n2)C1 1102473369 WVQWJRZXMLLIBL-GRYCIOLGSA-N 318.381 -0.760 30 20 DBED CN(C(=O)CNC(N)=O)[C@H]1CCN(c2ccc(C#N)nc2)C1 1102668305 IHZQYJZZJDMRED-LBPRGKRZSA-N 302.338 -0.341 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1)CNc1cncc(C#N)n1 1104034353 DJMRNGNSDWZNIA-KOLCDFICSA-N 302.338 -0.209 30 20 DBED CC(C)[C@@H](CNC(=O)CNC(N)=O)Nc1ccc(C#N)nn1 1105105747 CVINEDOOJSDATI-SNVBAGLBSA-N 305.342 -0.431 30 20 DBED N#Cc1nc(=NC[C@@H](O)CNC(=O)c2cncs2)cc[nH]1 1105732325 NPURRFLUAUPCLF-MRVPVSSYSA-N 304.335 -0.571 30 20 DBED Cc1cc(C(=O)NC[C@@H](O)CN=c2cc[nH]cc2C#N)on1 1105746948 SAPDPDCQEMLNRB-NSHDSACASA-N 301.306 -0.126 30 20 DBED Cc1ncc(C(=O)NC[C@H](O)CNc2ccc(C#N)nn2)[nH]1 1105751197 XBJIFMCWMYRZHR-SNVBAGLBSA-N 301.310 -0.417 30 20 DBED CCNC(=O)CC(=O)NC[C@@H](O)CNc1ncc(C#N)cc1F 1105794937 QBYXFSVKYZTFBC-SNVBAGLBSA-N 323.328 -0.492 30 20 DBED Cc1cc(C#N)nc(NC[C@H](O)CNC(=O)C2=CCOCC2)n1 1105798705 JMKYEJNVQJHGEY-CYBMUJFWSA-N 317.349 -0.108 30 20 DBED N#Cc1cc(C(=O)NC[C@@H](O)CN=c2cc[nH]cc2C#N)c[nH]1 1105830705 KQPPJFMLAQZDFU-ZDUSSCGKSA-N 310.317 -0.222 30 20 DBED C[C@@H]1CCO[C@@H]1C(=O)NC[C@@H](O)CNc1ccc(C#N)nn1 1106122349 ZHVNZSQMNCUKKP-CDMKHQONSA-N 305.338 -0.338 30 20 DBED C[C@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)[C@@H]1CCCNC1=O 1106471154 RXEDRMCDZXRHBO-GHMZBOCLSA-N 316.365 -0.397 30 20 DBED C=CCN1CC(n2cc(CNC(=O)CN(C)C(C)=O)nn2)C1 1107129637 IJLHHMJZMIDWEN-UHFFFAOYSA-N 306.370 -0.585 30 20 DBED C=CCCN1CC(n2cc(CNC(=O)[C@H](C)CC(N)=O)nn2)C1 1107191218 PRSMOWFOZAQXJX-LLVKDONJSA-N 320.397 -0.161 30 20 DBED N#Cc1nc(=NC/C=C\CNC(=O)CO[C@@H]2CCOC2)cc[nH]1 1107357115 FHGLULQNEOEOBM-UDSFMNFJSA-N 317.349 -0.340 30 20 DBED C[C@]1(C(=O)NC/C=C\CNc2cnc(C#N)cn2)CCNC1=O 1107508967 TWTPIPGDTYSNJY-MPNWYJEXSA-N 314.349 -0.041 30 20 DBED C[C@H](CN=c1cc[nH]cc1C#N)NC(=O)[C@@H]1CCC(=O)N1C 1108047208 WUVPTFHPUSBOBL-MFKMUULPSA-N 301.350 -0.087 30 20 DBED C[C@@H](CNc1ccc(C#N)nc1)NC(=O)[C@H]1CCS(=O)(=O)N1 1108391977 VNKZQTVDHQDSHB-JOYOIKCWSA-N 323.378 -0.438 30 20 DBED C=CCN1CCO[C@](C)(CNC(=O)[C@H]2CCS(=O)(=O)N2)C1 1108402414 DCDWZCXXNMHOLT-DGCLKSJQSA-N 317.411 -0.929 30 20 DBED CNC(=O)C1(C(=O)N[C@@H](C)CNc2ccc(C#N)nn2)CC1 1108440491 ZIHBBBHJKAPJRB-VIFPVBQESA-N 302.338 -0.209 30 20 DBED C=CCCCN1CCN(C(=O)COC)[C@@H]2CS(=O)(=O)C[C@@H]21 1108443306 KFUVNMHUTNNYKR-QWHCGFSZSA-N 316.423 -0.091 30 20 DBED C=CCOCCCC(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1 1108531004 WONGMRMCJYGTDY-ZDUSSCGKSA-N 320.393 -0.106 30 20 DBED C[C@@H](CN(C)c1cncc(C#N)n1)NC(=O)[C@@H]1CC(=O)N(C)C1 1109296731 ZIJJNJNCHYFVHS-WDEREUQCSA-N 316.365 -0.233 30 20 DBED N#Cc1cncc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)CCNC(N)=O)n1 1109708660 KSYJKVSWLGGASK-DFAYQTQMSA-N 315.337 -0.900 30 20 DBED N#Cc1c[nH]ccc1=NC1(CNC(=O)C(=O)NCC(F)F)CC1 1110276236 UOLLXONZQIWNJZ-UHFFFAOYSA-N 323.303 -0.183 30 20 DBED COC(=O)NCC(=O)N[C@]1(C)CCN(c2cnc(C#N)cn2)C1 1110711369 XHEJTHRXYMVBQC-CQSZACIVSA-N 318.337 -0.211 30 20 DBED COCCC(=O)N(CCO)CCNc1nc(C)cc(C#N)n1 1111422698 XPYLAJGTSCBOAN-UHFFFAOYSA-N 307.354 -0.074 30 20 DBED CC(=O)NCC(=O)NC[C@H]1COCCN1c1ccc(C#N)cn1 1111649285 IGBYUUPCSXWKIS-ZDUSSCGKSA-N 317.349 -0.589 30 20 DBED C=CCNC(=O)[C@@H](C)NC[C@]12CCC[C@H]1CN(C(=O)C(N)=O)C2 1112521123 OPVFUAVJQAPUCL-WQGACYEGSA-N 322.409 -0.619 30 20 DBED CNC(=O)CC(=O)N1CCC[C@@H]1CN(C)c1cnc(C#N)cn1 1112791107 XSWKLGDYFKOZLY-GFCCVEGCSA-N 316.365 -0.088 30 20 DBED Cc1cc(C#N)nc(N[C@H](C)[C@H](C)NC(=O)Cn2cnnn2)n1 1112906022 VAIUKHSODZINCQ-VHSXEESVSA-N 315.341 -0.352 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)[C@@H]2CCCNC2=O)CC1 1112987296 CDQMREURXOIQHP-QWHCGFSZSA-N 322.409 -0.653 30 20 DBED C[C@H](CNC(=O)Cn1nccn1)N(C)c1ccnc(C#N)n1 1113736764 LEYOMHWZSLDNDC-SNVBAGLBSA-N 300.326 -0.419 30 20 DBED Cc1occc1C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1113830832 CCKSPZGLPBIRDG-IMRBUKKESA-N 302.334 -0.112 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CN(c2ccc(C#N)nn2)CC[C@@H]1C 1114011920 XBDCEGCZOBMUJY-CMPLNLGQSA-N 316.365 -0.185 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)C(=O)C(C)(C)C)[C@H]2C1 1114072412 RPRXAWNWLNGJHK-QWRGUYRKSA-N 305.378 -0.603 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)Cc3ccnn3C)[C@H]2C1 1114186112 FLUWWXPPXDMPGP-VIKVFOODSA-N 317.393 -0.689 30 20 DBED C=C[C@](C)(O)CC(=O)NC1[C@H]2CN(Cc3nnn(C)n3)C[C@H]12 1114194840 WNZGQBDLGCEWGN-BHDSKKPTSA-N 306.370 -0.916 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)C3(C(F)F)CC3)[C@H]2C1 1114282603 CBRPFQWKSDWPCX-UWVGGRQHSA-N 311.332 -0.173 30 20 DBED C=CCOCCN1C[C@H]2[C@H](NC(=O)C[C@H]3CCNC3=O)[C@H]2C1 1114398417 DSVQZMGPZVCMRH-CXTNEJHOSA-N 307.394 -0.238 30 20 DBED CC(=O)NCC(=O)NCC1[C@@H]2CN(c3ccnc(C#N)n3)C[C@@H]12 1114502983 DXNGTLVBSYWRMT-RYUDHWBXSA-N 314.349 -0.717 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)CCn3ccnc3)[C@H]2C1 1114645301 XGNOYLWJPPGYSA-STQMWFEESA-N 317.393 -0.378 30 20 DBED C[C@@H](CCCNc1cnc(C#N)cn1)NC(=O)CNC(N)=O 1114836517 HEBDOMUNXXGNTN-VIFPVBQESA-N 305.342 -0.287 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)c3ccnnc3)[C@@H]2C1 1114883274 VIZSFWPCRUHRPV-CYZMBNFOSA-N 313.361 -0.726 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3ccc(C#C)cn3)[C@H]2C1 1115139689 IGSLCLAJPZCLLY-KBPBESRZSA-N 322.368 -0.528 30 20 DBED CNC(=O)CC(=O)NCCOCCCNc1cncc(C#N)n1 1115409477 DZJZZSNBUNFVND-UHFFFAOYSA-N 320.353 -0.581 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H](C)[C@@H]2CCOC2)C1=O 1117724469 HGHCODKJACBOCH-XQQFMLRXSA-N 323.393 -0.227 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N1CC[C@@H](CN(C)C)C1 1118539677 XFEOIPPKOMEISF-AWEZNQCLSA-N 309.410 -0.105 30 20 DBED Cc1cc(C#N)nc(N[C@@H](C)CN(C)C(=O)Cn2ncnn2)n1 1120128639 PHGRTSKOSTZIEI-JTQLQIEISA-N 315.341 -0.398 30 20 DBED Cc1cc(C#N)nc(N[C@H](C)CN(C)C(=O)Cn2ncnn2)n1 1120128640 PHGRTSKOSTZIEI-SNVBAGLBSA-N 315.341 -0.398 30 20 DBED CC(=O)N[C@@H](C)C(=O)NC[C@@H](CO)Nc1nc(C)ccc1C#N 1121010125 LHJFSTUOJHXYLB-GWCFXTLKSA-N 319.365 -0.325 30 20 DBED N#Cc1nc(=N[C@H](CO)CNC(=O)[C@H]2CCCOC2)cc[nH]1 1121198026 NPTSLBJODPXQOZ-QWRGUYRKSA-N 305.338 -0.914 30 20 DBED Cc1[nH]nc(C(=O)NC[C@@H](CO)Nc2ccc(C#N)nn2)c1C 1121248419 ASUKKOSVXFYHIP-NSHDSACASA-N 315.337 -0.109 30 20 DBED CCc1nc(C#N)cc(N[C@@H](CO)CNC(=O)[C@H](O)C(C)C)n1 1121393457 UXTCYAXEERXHLY-BXUZGUMPSA-N 321.381 -0.183 30 20 DBED N#Cc1cnc(N[C@H](CO)CNC(=O)C23CCN(CC2)C3)cn1 1121807422 UXOQHJSXGHAZBT-LBPRGKRZSA-N 316.365 -0.667 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)Cc2nc[nH]n2)nc1 1121993731 LFLGOMBLXIBPAP-SNVBAGLBSA-N 301.310 -0.797 30 20 DBED CCn1ccc(C(=O)NC[C@H](CO)Nc2cncc(C#N)n2)n1 1122053425 XSWYCHMDPHMFDN-LLVKDONJSA-N 315.337 -0.233 30 20 DBED C=CCCCC(=O)NC[C@H](CO)Nc1nccn2nnnc12 1122509267 ZQLOIPXLKFKZOP-SNVBAGLBSA-N 305.342 -0.235 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)c2c[nH]c(=O)cn2)cn1 1122513772 DVGSATICDTZONX-LLVKDONJSA-N 314.305 -0.761 30 20 DBED C[C@@]1(C(=O)NC[C@H](CO)Nc2ccc(C#N)cn2)CCNC1=O 1122544820 VCIGNRXFCLJRHB-IAQYHMDHSA-N 317.349 -0.632 30 20 DBED C/C(=C/C(=O)N1CCOC[C@@H]1C#N)C(=O)N1CCOC[C@H]1C#N 1123521668 PZKSMAYFYPQIFG-BLJGWETHSA-N 318.333 -0.565 30 20 DBED CN(C[C@H](O)CNc1cncc(C#N)n1)C(=O)[C@@]1(F)CCOC1 1124665103 HNDGLWCFOJUMKM-BXUZGUMPSA-N 323.328 -0.292 30 20 DBED C=CCOCC(=O)NCCNCc1nnnn1C1CCOCC1 1124767566 IPPHHDAZEARMFD-UHFFFAOYSA-N 324.385 -0.567 30 20 DBED CN(C[C@H](O)CN(C)c1ncccc1C#N)C(=O)c1nc[nH]n1 1125139334 IXCIZWFDDVLNFE-LLVKDONJSA-N 315.337 -0.359 30 20 DBED C=CCCCN1C[C@H](n2ccnn2)[C@H](NC(=O)CNC(C)=O)C1 1128646880 JWNPLXMJRNFDSM-KGLIPLIRSA-N 320.397 -0.278 30 20 DBED C#CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)COCCOC)C1 1128834718 QNLWEOJSGXTYQF-KGLIPLIRSA-N 321.381 -0.694 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H](COC)OC)C1 1129239376 SXKSTTPQOLYIML-AGIUHOORSA-N 309.370 -0.533 30 20 DBED CC(=O)N(C)CC(=O)N1C[C@@H](NCC#N)[C@H](c2cn(C)cn2)C1 1130502568 SNHUAEODPPJBKW-GXTWGEPZSA-N 318.381 -0.694 30 20 DBED C#CCN1CCOC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](C)C#N)n1 1130835443 MSGQKMHDHYONJP-WDEREUQCSA-N 302.338 -0.413 30 20 DBED N#Cc1cccc(CNCCNC(=O)c2nnc(O)nc2O)c1 1130862828 HNMZLBMVZDMQLI-UHFFFAOYSA-N 314.305 -0.326 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1nncc2ccccc12 1131176147 PQVQJSFXQPPPKF-UHFFFAOYSA-N 311.345 -0.301 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)CCN(C)CC)CC1 1131390376 GLDDCXCFWQFTAF-UHFFFAOYSA-N 308.426 -0.388 30 20 DBED C#CCNC(=O)CNCCNC(=O)C1(c2cc(C)no2)CC1 1132834309 JRBAVECCORDYGK-UHFFFAOYSA-N 304.350 -0.530 30 20 DBED C=CCNC[C@@H]1CN(C(=O)c2cn(CC(N)=O)nn2)CC[C@@H]1C 1133336549 CDXQNKFVMHTKES-NWDGAFQWSA-N 320.397 -0.363 30 20 DBED C[C@@H](C[C@@H](C)NCC(=O)NCC#N)NC(=O)c1cnsn1 1133779196 LWYQKVMPGILMAH-BDAKNGLRSA-N 310.383 -0.336 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)c1n[nH]c(C)c1O 1134088851 BGIBHFGIJCMHGT-ZJUUUORDSA-N 321.381 -0.340 30 20 DBED C=CCn1cc(C(=O)NCCNCCCO[C@@H]2CCOC2)nn1 1134973572 XVEPCXQAXXXWPW-CYBMUJFWSA-N 323.397 -0.021 30 20 DBED C#CCCN1CCCO[C@H](CNC(=O)C[C@@H]2CCC(=O)N2)C1 1150436754 WRQUMHOPQZCIOB-UONOGXRCSA-N 307.394 -0.115 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@H]1Cc2cccc(F)c2O1 1151673325 MRFWPCUQXYTQFI-CYBMUJFWSA-N 319.336 -0.416 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@H](C)OCCOCC 1152201493 DRMAAJXAOOXLFU-OLZOCXBDSA-N 313.398 -0.728 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)c1cc(C(N)=O)cs1 1152604178 WWOWEYJMWBFSFM-SECBINFHSA-N 324.406 -0.143 30 20 DBED C[C@@H](C#N)C(=O)NCCCNCCN1CCCS1(=O)=O 1155835872 GTVSWNOJIZJHHN-NSHDSACASA-N 302.400 -0.723 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1ncc(OC)cc1F 1159485422 JHTDEJSWKNLFAN-UHFFFAOYSA-N 322.340 -0.312 30 20 DBED C=CCNC(=O)CNCCCNC(=O)C1CCC(C(N)=O)CC1 1161595255 JUSDSOGYOOKXAX-UHFFFAOYSA-N 324.425 -0.324 30 20 DBED C#CCN1CCC(CNC(=O)C2(C(N)=O)CC2)(COC)CC1 1162460017 QQGLZRXKYCFPHI-UHFFFAOYSA-N 307.394 -0.270 30 20 DBED CO[C@@H]1CCC[C@@H](C(=O)NCCCNCC(=O)NCC#N)C1 1165386258 CAGCKCCSQFEGJW-CHWSQXEVSA-N 310.398 -0.073 30 20 DBED C=CCNC(=O)CNCCCNC(=O)c1cn(CCC)nn1 1169552466 RQVGTBIKURUUBN-UHFFFAOYSA-N 308.386 -0.300 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCC[C@@H](C)NC(=O)CC(=O)NC 1170336870 DXXSLKYRNIOGOG-CHWSQXEVSA-N 324.425 -0.475 30 20 DBED C=CCNC[C@@H]1C[C@H]2CC[C@H]1N(C(=O)Cn1ncn(C)c1=O)C2 1177814356 FAFTVXACQSPCCW-HZSPNIEDSA-N 319.409 -0.016 30 20 DBED COC[C@@H](O)CN[C@H]1CCN(C(=O)CSCC#N)[C@H]1C 1178147631 HBBQMDQRHVPTPF-SRVKXCTJSA-N 301.412 -0.171 30 20 DBED CN1CC[C@@H](C(=O)NCCCCCCNCC#N)S1(=O)=O 1179792435 NBASHJJBHKLDPV-LBPRGKRZSA-N 316.427 -0.190 30 20 DBED CN1CC[C@H](C(=O)NCCCCCCNCC(=O)NCC#N)C1 1180259489 IQKGXTNEKJHSSL-AWEZNQCLSA-N 323.441 -0.156 30 20 DBED Cc1ncncc1C(=O)N1CC[C@@H](NCC(=O)NCC#N)C1 1181193858 WBHSMDFSDHWJSE-LLVKDONJSA-N 302.338 -0.771 30 20 DBED CCN(CCC#N)C(=O)CN[C@@H]1CCN(C(=O)[C@H](C)OC)C1 1181310393 VVJHEKWFSBBJLF-QWHCGFSZSA-N 310.398 -0.026 30 20 DBED C[C@@H]1CN(C(=O)CC[C@@H]2NC(=O)NC2=O)C[C@@]1(C)CNCC#N 1183349067 VPAMFFZIGZNDOH-JRPNMDOOSA-N 321.381 -0.428 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)COCc2nccn2C)C1 1183508924 YXSBTDUZROQXSI-CQSZACIVSA-N 320.393 -0.223 30 20 DBED Cc1n[nH]c(C)c1CC(=O)N1CC[C@@H](NCC(=O)NCC#N)C1 1187750750 TVIZLDJCPIYNRW-GFCCVEGCSA-N 318.381 -0.601 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)Cn2cc(C)cn2)C1 1189122740 NBMUDBJJLORTJE-CQSZACIVSA-N 317.393 -0.526 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2nccnc2N)C1 1189438138 NQJZAHMLQUNFAP-NSHDSACASA-N 318.381 -0.493 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2ccsc2C)C1 1192721661 DBKFCFQTTBUNGY-CHWSQXEVSA-N 321.402 -0.419 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2cc(C)ncn2)C[C@H]1O 1192886433 QBCHKSSAERBVFL-HUUCEWRRSA-N 318.377 -0.514 30 20 DBED N#CCNC(=O)CN1CCCN(C(=O)CC2CCOCC2)CC1 1195349422 WKCDZWQOXFWAOM-UHFFFAOYSA-N 322.409 -0.023 30 20 DBED C#CCN1CCCN(C(=O)CNC(=O)c2cccnc2)CC1 1197226938 JEOMBFFFVGUNGV-UHFFFAOYSA-N 300.362 -0.021 30 20 DBED COCC#CCN[C@@H]1C[C@H](NC(=O)Cn2cnnn2)C12CCC2 1202382679 HIOVUVHNICZHDU-OLZOCXBDSA-N 318.381 -0.660 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)[C@]2(C)CCC(=O)N2)CC1 1202414939 LVAAEOREBMMLMI-INIZCTEOSA-N 322.409 -0.462 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)[C@@H]2CO[C@@H](C)C2)CC1 1205552636 JMGDPLBULMQRMK-ZFWWWQNUSA-N 321.421 -0.011 30 20 DBED C=CCN1CC[C@@H](N2C[C@@H](NC(=O)CC(N)=O)[C@H](C)C2)C1=O 1206720277 BPECQZOOWRCVFA-IJLUTSLNSA-N 308.382 -0.915 30 20 DBED N#CCNC(=O)CN[C@H]1CCCN(C(=O)c2ccc(O)nn2)C1 1207193335 WSCVAAXAGDZQSH-JTQLQIEISA-N 318.337 -0.984 30 20 DBED COCC#CCN[C@@H]1CCCN(C(=O)CN2CCCNC2=O)C1 1208489236 GMAAOIIODHREKZ-CQSZACIVSA-N 322.409 -0.368 30 20 DBED COCC#CCN[C@H]1CCCN(C(=O)COCCN(C)C)C1 1210683799 BNEPMIZUQIKAPN-HNNXBMFYSA-N 311.426 -0.205 30 20 DBED COCC#CCN1C[C@@H](NC(=O)[C@@H](C2CC2)N(C)C)[C@H](OC)C1 1212409461 GKOFQQGJKZGYQI-BZUAXINKSA-N 323.437 -0.208 30 20 DBED C=CCCN1C[C@@H](NC(=O)[C@@H](C)S(C)(=O)=O)[C@H](OC)C1 1212474859 WDDQJCDDXPSRMJ-IJLUTSLNSA-N 304.412 -0.189 30 20 DBED CC#CCN1C[C@@H](NC(=O)[C@H](NC(N)=O)C(C)(C)C)[C@H](OC)C1 1213726212 RPBNALTZBSMULE-UPJWGTAASA-N 324.425 -0.092 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2ccnn2C)C[C@H]1C 1214280203 NNVNUIAPRGYZHD-JHJVBQTASA-N 317.393 -0.392 30 20 DBED C=CCOCC(=O)N[C@@H]1CN([C@@H](C)c2cnccn2)C[C@@H]1O 1219364133 ZBAZECWVMDRZNM-YUTCNCBUSA-N 306.366 -0.099 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CN(CC(=O)NC2CCCC2)C[C@@H]1O 1219378761 DUTSFHQMGZBEOV-UHTWSYAYSA-N 308.382 -0.634 30 20 DBED CCc1nnc(CN2C[C@H](O)[C@H](NC(=O)[C@H](C)C#N)C2)n1C 1219379256 PMJAACCSTLEWSA-MXWKQRLJSA-N 306.370 -0.802 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(CCOCC2CC2)C[C@@H]1O 1219607053 BAWBSLCBXJXNQB-YUELXQCFSA-N 310.394 -0.387 30 20 DBED C=CCCCN1C[C@H](O)[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 1220347707 VQJPWLZLTLCDHJ-MROQNXINSA-N 311.382 -0.853 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(N)=O 1226080408 QSQBUASSELDQKS-VXGBXAGGSA-N 308.382 -0.142 30 20 DBED CN(C[C@H]1CCN1CC(=O)NCC#N)C(=O)CC1(O)CCC1 1234139512 HWUMNHAXZKPHDU-GFCCVEGCSA-N 308.382 -0.536 30 20 DBED CN(C[C@H]1CCN1Cc1nc(=O)n(C)[nH]1)C(=O)C#CC1CC1 1234179662 XYKZPSPFCSAQIM-GFCCVEGCSA-N 303.366 -0.446 30 20 DBED CC(C)OCCNC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1261925345 QLLCXZGFEZQYOW-CYBMUJFWSA-N 308.382 -0.274 30 20 DBED COCCCNC(=O)C1CCN(C(=O)NCC#CCO)CC1 1262195597 FZKQYCGQKNHWDD-UHFFFAOYSA-N 311.382 -0.444 30 20 DBED C#C[C@@H](C)N(C)c1nnc(Cc2nn[nH]n2)n1C[C@H]1CCOC1 1263562071 JZGODRURDZGCOY-GHMZBOCLSA-N 316.369 -0.124 30 20 DBED CS(=O)(=O)CCOCCNC(=O)N1CCC(C#N)CC1 1318777888 WWVNINHOKLZAJY-UHFFFAOYSA-N 303.384 -0.007 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N[C@@H](CO)CC(F)F 1320758044 ZJUGZYIZDODBRP-MRVPVSSYSA-N 300.327 -0.098 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)CCO1 1322570378 SPCUPLSPFHGJBS-CHWSQXEVSA-N 306.366 -0.662 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCC[C@](C)(CO)C1)[C@H]1CCCO1 1325476851 WLVDPONNGZWSMQ-ZENOOKHLSA-N 308.378 -0.096 30 20 DBED C[C@H](O)[C@H]1CCCN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)C1 1326215368 LRPQYRFCGJSLBP-SLEUVZQESA-N 309.366 -0.517 30 20 DBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N(C)Cc1cn(C)nn1 1328124622 KKCCBCVWFAYSIM-AAEUAGOBSA-N 321.381 -0.129 30 20 DBED C=C(C)CN(CC)C(=O)C(=O)N1CCN(CCOC)C(=O)C1 1330890686 FFOHWFBBYFVODK-UHFFFAOYSA-N 311.382 -0.272 30 20 DBED CC[C@H]1C(=O)N(CC)CCN1C(=O)C(=O)N1CC[C@](F)(C#N)C1 1331199244 YYLIICGCWULKNF-NHYWBVRUSA-N 324.356 -0.080 30 20 DBED N#CCCN1CCN(C(=O)C(=O)N2C[C@H]3COC[C@H]3C2)CC1 1332295716 XIYFETKEIWNCRN-BETUJISGSA-N 306.366 -0.851 30 20 DBED C#CCCCNC(=O)C(=O)N1CCN(S(=O)(=O)CC)CC1 1333935628 SQROGGMRNYGDBC-UHFFFAOYSA-N 315.395 -0.990 30 20 DBED C#CCN(C(=O)C(=O)N1CCN(C(C)(C)C(N)=O)CC1)C(C)C 1336495626 IZYITQZIDXXWRH-UHFFFAOYSA-N 322.409 -0.735 30 20 DBED CCCC[C@@H](CN)NC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1336962658 ZAIIHUFIAKLBFL-GXTWGEPZSA-N 321.425 -0.181 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(CN(C)CCCF)c1=O 1337236330 MYRLFYHZDKLTLG-UHFFFAOYSA-N 312.345 -0.207 30 20 DBED C=C[C@@](C)(O)Cc1nc(-c2cn(CCO)c(=O)nc2O)no1 1339293858 LRIJLRQZFQAPIM-CYBMUJFWSA-N 308.294 -0.529 30 20 DBED C=CCn1c([C@H]2SCCNC2=O)nnc1N1CCNC(=O)C1 1340233145 CXICCWRFXAHCQD-SNVBAGLBSA-N 322.394 -0.696 30 20 DBED N#Cc1cn(CC(=O)N[C@@H]2[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)c(=O)nc1O 1362193254 QTUCOPHYKAQDBB-KSPCNFCGSA-N 300.318 -0.019 30 20 DBED COC(=O)[C@@H]1CCC[C@@H]1NC(=O)Cn1cc(C#N)c(O)nc1=O 1362699613 ZXYRZKHZIJSLJZ-ZJUUUORDSA-N 320.305 -0.722 30 20 DBED Cc1oncc1CNC(=O)CCn1cc(C#N)c(O)nc1=O 1365003094 GOFVVFSJRQIRQA-UHFFFAOYSA-N 303.278 -0.177 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(O)(CNCC(=O)NCC2CC2)CC1 1393763368 ICAITWTUXHMRGU-LBPRGKRZSA-N 322.409 -0.385 30 20 DBED CC(C)[C@@H](CNC(=O)CCn1cnnn1)NC(=O)[C@H](C)C#N 1399627843 WUEQASYQCPIKNS-GHMZBOCLSA-N 307.358 -0.520 30 20 DBED C[C@H](C#N)C(=O)NCCN(C)[C@@H]1CCN(c2cnn(C)c2)C1=O 1403505689 IGNXDKNGIUOMSB-DGCLKSJQSA-N 318.381 -0.267 30 20 DBED C=C(Cl)CN1CC[C@@H]1CNC(=O)CCCS(N)(=O)=O 1406852127 GORGQTILURSHRK-SNVBAGLBSA-N 309.819 -0.002 30 20 DBED N#CCc1ccccc1CC(=O)N1C[C@H](C(N)=O)[C@@H](C(N)=O)C1 1412399512 LDVFRZZFRQECGE-STQMWFEESA-N 314.345 -0.660 30 20 DBED C[C@H](C#N)C(=O)NC[C@]1(C)CCN(C(=O)c2cnnn2C)C1 1417365276 LWXGESHZPGRDCS-YGRLFVJLSA-N 304.354 -0.057 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNCC(=O)Nc1nccs1 1422265625 NKKDROWNZHXWAL-BDAKNGLRSA-N 311.367 -0.692 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](C1CC1)N(C)C(=O)CS(C)(=O)=O 1424892441 LYJWFVRHDHAAGI-KOLCDFICSA-N 315.395 -0.456 30 20 DBED C[C@@H](C#N)C(=O)N1CC([C@@H](C)NC(=O)CCn2cncn2)C1 1426994621 CNRSDTFPXTXTSG-WDEREUQCSA-N 304.354 -0.209 30 20 DBED N#C[C@H]1CN(C(=O)c2nc3ncc(CCO)cn3n2)CCO1 1433659023 QOFDXXQRCSTPNJ-JTQLQIEISA-N 302.294 -0.976 30 20 DBED C[C@@H](C(=O)NC[C@H]1CC(=O)N(C2CC2)C1)n1cnc(C#N)n1 1433850364 HQNICAIWXJKDHF-VHSXEESVSA-N 302.338 -0.162 30 20 DBED CC[C@@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)[C@H]1COC(=O)N1 1450887415 PFVSRLCTQLQDLF-GXSJLCMTSA-N 319.321 -0.381 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1cnc2cc[nH]c2c1 1452394781 OXCYKFNSUGHVEA-MWLCHTKSSA-N 315.333 -0.071 30 20 DBED C=CCOC[C@H](NC(=O)[C@H](N)Cc1ccccn1)C(=O)OC 1574943261 FPRJMABYCLZUAD-OLZOCXBDSA-N 307.350 -0.188 30 20 DBED N#C[C@@H]1CNC[C@H]1NC(=O)Cc1csc(N2CCOCC2)n1 1580043103 HZNRHPSMMSUMDD-ZYHUDNBSSA-N 321.406 -0.250 30 20 DBED C=CCN1CC[C@H](OC(=O)c2cccn(CC(=O)O)c2=O)C1=O 1588465601 VJUZRLFXWRAKDX-NSHDSACASA-N 320.301 -0.123 30 20 DBED C#CCN1CCC(OC(=O)CN2CCC[C@H](C(=O)O)C2=O)CC1 1588477316 YBZZQMARUMWQKA-ZDUSSCGKSA-N 322.361 -0.050 30 20 DBED CC(C)C#CC(=O)N(C)CCOCCNC(=O)[C@@H]1C[C@H]1C(=O)O 1590926962 NAXJUXCAAKMWPL-CHWSQXEVSA-N 324.377 -0.042 30 20 DBED N#Cc1nc(NC(=O)[C@H]2CCCN2C=O)[nH]c1-c1nn[nH]n1 1592683705 XDRLMOZOFTXOHL-SSDOTTSWSA-N 301.270 -0.979 30 20 DBED N#CCC1(CNC(=O)C(=O)Nc2ccn(CC(=O)O)n2)CC1 1594605450 CFHSSKUDGPSPKP-UHFFFAOYSA-N 305.294 -0.284 30 20 DBED CN(C(=O)[C@H]1C[C@@H]1C(=O)O)C1CN(C(=O)c2cc(C#N)c[nH]2)C1 1605956078 FVGYXQFFPZEQCO-QWRGUYRKSA-N 316.317 -0.110 30 20 DBED CN1C[C@@H](C(=O)O)N(C(=O)Cc2cccc(C#N)c2)CC1=O 1606200664 ZMTBSRIENKBDKX-LBPRGKRZSA-N 301.302 -0.145 30 20 DBED N#CCn1cc(CN2CCOCC2)cc(-c2nn[nH]n2)c1=O 1606354746 SLEJEVHTXISRQV-UHFFFAOYSA-N 301.310 -0.616 30 20 DBED N#C[C@@H]1CN(C(=O)Cc2ccc(S(N)(=O)=O)cc2)CCO1 1645552469 HABAVRLNVVFMRA-LLVKDONJSA-N 309.347 -0.373 30 20 DBED CC#CCN1CCN(CCNC(=O)[C@]2(CC)CCNC2=O)CC1 1752366040 PKKPANMIPIYFQI-QGZVFWFLSA-N 320.437 -0.340 30 20 DBED COCC#CCN[C@H](C)CNC(=O)[C@H](NC(N)=O)C(C)(C)C 1752913374 JNDXUQKQNLUTLR-NEPJUHHUSA-N 312.414 -0.187 30 20 DBED C#CCN1CCC[C@@H]1CNC(=O)[C@H](CCC)S(N)(=O)=O 1753108842 RFDBXSRGWAUVDU-NEPJUHHUSA-N 301.412 -0.343 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CCN(CCn2cncn2)C1 1753123410 CWBPOIHVZBQAJA-AWEZNQCLSA-N 305.382 -0.244 30 20 DBED Cc1cnoc1C(=O)N1C[C@@H]2C[C@H]1CN2CC(=O)NCC#N 1753425778 APCXACHVJGKPSV-QWRGUYRKSA-N 303.322 -0.479 30 20 DBED C#CCNC(=O)CN1CC[C@@H](N(C)C(=O)CCc2cn[nH]c2)C1 1753445765 RLEZWBQBAOCSCB-CQSZACIVSA-N 317.393 -0.376 30 20 DBED COc1nc(C(=O)NC[C@H](C)CNCC(=O)NCC#N)co1 1753626948 JARBXYSEKKTBQI-SECBINFHSA-N 309.326 -0.722 30 20 DBED C#CCNC(=O)CNC[C@@H](C)CNC(=O)c1ccc(C)nc1O 1753633254 CLLSZOUOSDAVNQ-LLVKDONJSA-N 318.377 -0.199 30 20 DBED C=CCOCCN1CCO[C@@H](CNC(=O)c2cnn(C)c2N)C1 1753650481 TWFFHDBSMIOXBS-LBPRGKRZSA-N 323.397 -0.365 30 20 DBED N#CCNC(=O)CNC[C@@H]1CCC[C@@H]1NC(=O)c1cnon1 1753900470 YFDBDFYCEBEEQB-UWVGGRQHSA-N 306.326 -0.803 30 20 DBED C#CCNC(=O)CNC[C@H](C)NC(=O)c1coc(OCC)n1 1754274639 SJEFNRWGOLTNHM-JTQLQIEISA-N 308.338 -0.469 30 20 DBED C#CCNC(=O)CNC[C@H](C)NC(=O)Cn1ccnc1C(C)C 1754285757 KOXBTZUCGVRPRT-ZDUSSCGKSA-N 319.409 -0.150 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)C[C@H](C)NC(=O)c1cnns1 1754301920 XSPUVWJVJOFWQM-VHSXEESVSA-N 309.395 -0.274 30 20 DBED C#CCCN[C@@H](C)[C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 1754790425 FZHKHPZOJMOQJB-NWDGAFQWSA-N 318.381 -0.773 30 20 DBED C=CCCOCC(=O)N1CC[C@@H](N2CCN(CC(N)=O)CC2)C1 1755019677 PGJKKVXWARYIDL-CQSZACIVSA-N 324.425 -0.717 30 20 DBED C#CCNC(=O)[C@@H](C)NCC1CC(NC(=O)c2nc(C)c[nH]2)C1 1755217716 RHDYBLRJCAPUNJ-PNESKVBLSA-N 317.393 -0.046 30 20 DBED C[C@H](NCC(=O)NCC#N)[C@@H](C)NC(=O)c1cc[n+]([O-])cc1 1755225519 CFKBCXFMRTUQEH-WDEREUQCSA-N 305.338 -0.944 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H](C)C1CN(Cc2nc(O)n[nH]2)C1 1755376894 LXNQEUYGXKGXQR-NXEZZACHSA-N 307.354 -0.515 30 20 DBED CN(CC(=O)NCC#N)C1CCN(C(=O)CCCC(N)=O)CC1 1755536668 CIGZIAQAOQTFDC-UHFFFAOYSA-N 323.397 -0.795 30 20 DBED C=C(Cl)CN(C)CCOCCNC(=O)[C@@H]1CCNC1=O 1755542674 UMJDFTBFLINRMT-LLVKDONJSA-N 303.790 -0.060 30 20 DBED C#Cc1cncc(C(=O)NC[C@@H](CO)NCc2cnnn2C)c1 1755637596 CMGZOIMZLLGQGG-ZDUSSCGKSA-N 314.349 -0.928 30 20 DBED C=CCOCC(=O)NC1(CCO)CN(C(=O)c2cc(C)on2)C1 1756077537 CKHNSGKVYNGZAR-UHFFFAOYSA-N 323.349 -0.121 30 20 DBED C=CCOCC(=O)NC[C@H]1[C@@H]2CN(C(=O)C3(C(N)=O)CC3)C[C@H]12 1756194090 ACWOFEOFNGUSQM-CNDDSTCGSA-N 321.377 -0.725 30 20 DBED CNC(=O)NCC(=O)NC[C@H]1[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]12 1756203502 PESOFAVUCQQYRL-XYYAHUGASA-N 318.377 -0.851 30 20 DBED Cc1ccnn1CC(=O)N[C@H](CO)CNC(=O)C#CC(C)C 1756517697 MTVOIFNAOKFTMC-ZDUSSCGKSA-N 306.366 -0.556 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CN(C(=O)c2cncs2)C[C@H]1O 1756993777 NYRZRWQIYDPAEZ-GHMZBOCLSA-N 305.359 -0.142 30 20 DBED C#CCCCCC(=O)N1C[C@H](O)[C@H](NC(=O)[C@H]2CCOC2)C1 1757160512 VUSQTXDAJXCZGU-MJBXVCDLSA-N 308.378 -0.096 30 20 DBED CC(C)(C)C#CC(=O)N[C@@H]1CN(C(=O)[C@H]2COCCO2)C[C@@H]1O 1757171749 FJGWFRAIAIGUCE-FRRDWIJNSA-N 324.377 -0.861 30 20 DBED Cn1cnn(CC(=O)Nc2nc3n(c2C#N)CCS3)c1=O 1771645500 PVSAHDYIROVPLD-UHFFFAOYSA-N 305.323 -0.606 30 20 DBED C#CCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN)[C@H]2C1 1786797654 CPUIYSJAICTUBW-IHRRRGAJSA-N 307.394 -0.272 30 20 DBED C=C1CC(C(=O)N2CCOC[C@]3(CN(C(=O)CN)CCO3)C2)C1 1835541845 NWDBBTKCLCJGTN-INIZCTEOSA-N 323.393 -0.632 30 20 DBED N#CCCC(=O)N1CC2(CCCN2C(=O)[C@@H]2CNC(=O)O2)C1 1841648251 HJDNJUDMMOPNFA-JTQLQIEISA-N 306.322 -0.398 30 20 DBED C=CC(=O)N[C@H](C)C(=O)N1CC2(CCCN2C(=O)CC#N)C1 1842622400 JKUMNKREYNJMCC-LLVKDONJSA-N 304.350 -0.206 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1CCN(c2cnccn2)CC1 27638776 OSNUQQTULINROQ-LBPRGKRZSA-N 318.381 -0.001 30 20 DBED COC(=O)C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)O 70141569 UYZOYPFXWUDIGD-JTQLQIEISA-N 312.303 -0.147 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@H]2CN(CC)CCO2)CC1 72833401 LGCGTKJHKLJUHL-CQSZACIVSA-N 324.425 -0.847 30 20 DBED C#CCN1CCC(C(=O)NCCNS(=O)(=O)CC)CC1 98093335 KZWQQJPVWOIQDW-UHFFFAOYSA-N 301.412 -0.613 30 20 DBED CCS(=O)(=O)N1CC(CNC(=O)c2ccc(C#N)cn2)C1 188183922 QBFUKWFLBWTFAR-UHFFFAOYSA-N 308.363 -0.035 30 20 DBED C#CCCCC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 191878488 JONDOVUVDCTMPL-UHFFFAOYSA-N 307.394 -0.207 30 20 DBED CN(C[C@H](O)CO)C(=O)C(=O)Nc1ccc(C#N)cc1Cl 275874561 KCQTYEFSZAMCSE-VIFPVBQESA-N 311.725 -0.038 30 20 DBED C#Cc1cccc(NC(=O)CNC(=O)[C@H]2CC[C@H](C(N)=O)O2)c1 276386357 FIQOFOTXYBJICO-CHWSQXEVSA-N 315.329 -0.245 30 20 DBED C#CCOc1cccc(NC(=O)C(=O)N2C[C@H](O)[C@@H](O)C2)c1 277619266 WAFGLMUROQYDOM-STQMWFEESA-N 304.302 -0.799 30 20 DBED C#CCN(CC#N)C(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 282041334 QWNACSPOOICUHF-NWDGAFQWSA-N 323.374 -0.993 30 20 DBED Cc1nc(C(=O)NCCOCCS(N)(=O)=O)ccc1C#N 288337500 WBMHNLLRLCYFGK-UHFFFAOYSA-N 312.351 -0.703 30 20 DBED CS(=O)(=O)N1CCCN(S(=O)(=O)CC2(C#N)CC2)CC1 329623701 NVDZMJMYSMXHLW-UHFFFAOYSA-N 321.424 -0.413 30 20 DBED C[C@H](CCO)C/N=C(/O)N[C@H]1CCCN(S(C)(=O)=O)C1 330933090 BPNWCQDZERXBAG-MNOVXSKESA-N 307.416 -0.068 30 20 DBED C[C@H]1CN(C(=O)CNC(=O)c2ccc(C#N)cc2)C[C@H](CO)O1 330969178 MDKQILIGBQSWHY-SMDDNHRTSA-N 317.345 -0.104 30 20 DBED CC/N=C(/O)NC(=O)CN1CCC([C@@H](O)C(=O)OC)CC1 331265460 HNELUSYTBYUDHL-LLVKDONJSA-N 301.343 -0.718 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N(C)CC(C)(CO)CO 336953356 WQRQGVLPEVYXCF-LLVKDONJSA-N 307.416 -0.365 30 20 DBED CNC(=O)Cn1nc(N[C@H](C)C(=O)N(C)CCC#N)cc1C 342435057 IDLWPHXWACDTPQ-LLVKDONJSA-N 306.370 0.110 30 20 DBED CC[C@@H](C)[C@@H](NC(=O)N1CCCC1)C(=O)NCC(=O)NCC#N 343511243 WOIWYMAFUHEPCJ-DGCLKSJQSA-N 323.397 -0.038 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)CCCN2C(=O)CNC2=O)C1=O 343750022 PQEQOZXDWSFOTL-LLVKDONJSA-N 322.365 -0.436 30 20 DBED Cc1ccccc1[C@H](CC(=O)NCC(=O)NCC#N)NC(N)=O 344167004 SOIBQIJJLMZPDR-LBPRGKRZSA-N 317.349 -0.150 30 20 DBED COC(=O)CN1CCN(CC(=O)N[C@](C)(C#N)C2CC2)CC1 349026685 KNSPTWAJPQVFAW-OAHLLOKOSA-N 308.382 -0.415 30 20 DBED C[C@@H]1C[C@@H](C)N(S(=O)(=O)CCCS(=O)(=O)NCC#N)C1 349480410 XHMGXDRGVONVCT-GHMZBOCLSA-N 323.440 -0.120 30 20 DBED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2CO)cc1 355899681 LLDUKOJDLDNICO-LBPRGKRZSA-N 323.374 -0.180 30 20 DBED CN1CCN(C(=O)CCNC(=O)c2cnn(C)c2C#N)CC1 356089244 GCSFPXHPZQSQPE-UHFFFAOYSA-N 304.354 -0.814 30 20 DBED COC(=O)CN(CC#N)CC(=O)N1CCC[C@@H](NC(C)=O)C1 356673037 MEOJYFADZJIFFS-GFCCVEGCSA-N 310.354 -0.888 30 20 DBED C=C[C@@H](CO)NC(=O)N[C@H]1CCCN(c2ccnn2C)C1=O 359144492 OCXFUKSIRPOQOK-QWRGUYRKSA-N 307.354 -0.238 30 20 DBED Cc1c(C#N)cccc1NC(=O)C(=O)N1C[C@@H](O)C[C@H]1CO 372652346 IUIYWQKUPGOXTR-RYUDHWBXSA-N 303.318 -0.241 30 20 DBED C[C@H](O)CN1CCN(S(=O)(=O)N(C)C[C@@H](C)C#N)[C@H](C)C1 407955083 HFCRQIDBKDBWJB-XQQFMLRXSA-N 318.443 -0.290 30 20 DBED CCC[C@@H](O)[C@@H](CO)NC(=O)CNC(=O)c1ccc(C#N)cc1 412542670 WQBNADQQWRNFRH-ZIAGYGMSSA-N 319.361 -0.074 30 20 DBED CN(CCN)C(=O)C(=O)N(C)CCOCc1ccc(C#N)cc1 423704869 FZTZQWPNMGTMMO-UHFFFAOYSA-N 318.377 -0.050 30 20 DBED C=CCCCS(=O)(=O)N1CCS(=O)(=O)[C@H](C(=O)O)C1 424373088 XKBUEUOOYWRNMR-VIFPVBQESA-N 311.381 -0.534 30 20 DBED C=CCCn1cc(C(=O)N2CCN(C(=O)COC)CC2)nn1 424597256 HKVZCTVIXKDLCN-UHFFFAOYSA-N 307.354 -0.215 30 20 DBED CN(CC(N)=O)C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C 434947157 OGHILJKQWNCSCC-UHFFFAOYSA-N 305.338 -0.003 30 20 DBED CC(C)(CC#N)CS(=O)(=O)N1CCN(S(C)(=O)=O)CC1 451000238 FHLPSRHONSRNEG-UHFFFAOYSA-N 323.440 -0.167 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)CN2CCCS2(=O)=O)C1=O 518474219 IOYRUWQYKMMMQN-LLVKDONJSA-N 315.395 -0.733 30 20 DBED C=CCN1CCC(NC(=O)C(=O)NCCN2CCCC2=O)CC1 563350729 QOWJQRJYUGBNTC-UHFFFAOYSA-N 322.409 -0.508 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CS(=O)(=O)CCO1 580184883 ZRPUHRDNYFWNIE-TUAOUCFPSA-N 303.380 -0.103 30 20 DBED CC(C)N1C[C@@H](NS(=O)(=O)N2CCO[C@@H](C#N)C2)CC1=O 584666814 XRDJOOQEOMTMJK-QWRGUYRKSA-N 316.383 -0.946 30 20 DBED COCCNS(=O)(=O)c1c[nH]c(C(=O)N2CC(C#N)C2)c1 590485926 VGLVPPNJSZTCSL-UHFFFAOYSA-N 312.351 -0.465 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCOC[C@@H]1C(=O)O 593269620 LGRDJZSRVRLBTI-VHSXEESVSA-N 305.356 -0.502 30 20 DBED N#C[C@H]1CN(S(=O)(=O)N[C@H]2c3ccccc3C[C@@H]2O)CCO1 594479536 CAUOLGFNCRWSLK-UBHSHLNASA-N 323.374 -0.297 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H]2CCCN(C)C2)C1=O 594703043 KJTLMKSTHINZNS-NSHDSACASA-N 322.365 -0.579 30 20 DBED C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C#N)CO 597750023 SFPHUKOXUOPIRY-SCZZXKLOSA-N 306.278 -0.286 30 20 DBED N#CCCN(CCC#N)C(=O)CN1[C@H]2CC[C@H]1CC(=O)NC2 610506724 QOXXDWHKULMPBV-STQMWFEESA-N 303.366 -0.005 30 20 DBED N#C[C@]1(NC(=O)c2ccc(S(N)(=O)=O)nc2)CCSC1 611200576 WTYNRGMBZOZUBK-LLVKDONJSA-N 312.376 -0.142 30 20 DBED C=CCCOCCNC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1 613017030 KLUGFLMKAQBDCN-LLVKDONJSA-N 305.400 -0.389 30 20 DBED C=CCC[C@@H]1NC(=O)N([C@H]2CS(=O)(=O)C[C@H]2OC)C1=O 656834441 XVYQOAHEDQISPB-LPEHRKFASA-N 302.352 -0.315 30 20 DBED CC(C)[C@H](C#N)N1CCN(C(=O)CN2C[C@H]3C[C@@]3(CO)C2)CC1 782625770 ZRWFQARVQSJGRF-VYDXJSESSA-N 320.437 -0.007 30 20 DBED CCN(CCC#N)S(=O)(=O)N(CC)CCS(C)(=O)=O 800090943 PDLNSUNLYCABDL-UHFFFAOYSA-N 311.429 -0.167 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCC[C@H](CC(N)=O)C1)[C@@H]1CCCO1 809313065 QIOBFUCVVGGPDD-AGIUHOORSA-N 321.377 -0.603 30 20 DBED C#CCCS(=O)(=O)NC(=O)c1ccc(-n2cnnn2)cc1 810782886 VQXWQYOZDDBMHN-UHFFFAOYSA-N 305.319 -0.255 30 20 DBED C=C[C@H](O)C(=O)O[C@@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 814545419 OAVSUTOIEWWXIP-GUBZILKMSA-N 305.352 -0.890 30 20 DBED C[C@](C#N)(CC(=O)O)C(=O)Nc1nc(S(C)(=O)=O)n[nH]1 819865062 GPYYWQNQBXNKQC-SECBINFHSA-N 301.284 -0.849 30 20 DBED C=CCNC(=O)[C@H](C)OC(=O)Cn1nc2n(c1=O)CCCC2 845232766 ROGVWBRNKWJMAJ-JTQLQIEISA-N 308.338 -0.385 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCN(CCOCCOC)CC1 846617391 PHGQTYODYODNQC-INIZCTEOSA-N 323.437 -0.109 30 20 DBED C=C[C@H](CO)NC(=O)N[C@@H](CCSC)C(=O)N(C)OC 852212960 CZEVQINVMWEHKT-ZJUUUORDSA-N 305.400 -0.026 30 20 DBED C#CC[C@H](CO)NC(=O)C(=O)N1CCN(c2ccccc2)CC1 854542440 QYGYKDYTZJDSII-CQSZACIVSA-N 315.373 -0.164 30 20 DBED C#C[C@](C)(CC)NCC(=O)NC1CCN(S(C)(=O)=O)CC1 878660069 CTFHKGLPIJNWOG-CQSZACIVSA-N 315.439 -0.082 30 20 DBED C#CCN1CCC[C@@H](NC(=O)N2CCN3C(=O)NC[C@H]3C2)C1 890368292 GKXIQTVKASTCBB-OLZOCXBDSA-N 305.382 -0.497 30 20 DBED C#CCSCC(=O)N1CCN(C(=O)N2CCN(C)CC2)CC1 896226849 LJDOSPSQPPXPNG-UHFFFAOYSA-N 324.450 -0.136 30 20 DBED C#CC1(O)CN(S(=O)(=O)c2cccc(C(=O)NC3CC3)c2)C1 908228955 JNBBXDRKHGUKLS-UHFFFAOYSA-N 320.370 -0.053 30 20 DBED CCOC(=O)[C@@H]1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)C1 921726008 PTMWKDMTQYUJHD-GHMZBOCLSA-N 317.367 -0.659 30 20 DBED O=C1CC[C@@H](C(=O)N[C@@H]2CCN(C(=O)C#CC3CC3)C2)CN1 941424470 YVDMYUJOWZFLHF-CHWSQXEVSA-N 303.362 -0.357 30 20 DBED C=CCN1CC[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)[C@H](C)C1 942106453 OTGJIZMPAVLHQH-CHWSQXEVSA-N 320.393 -0.440 30 20 DBED C=CCN1CC[C@H](NC(=O)CN2CCN(C)C(=O)C2)[C@H](C)C1 942199746 GVNZTNYTXKGIGO-KGLIPLIRSA-N 308.426 -0.227 30 20 DBED C[C@@H]1CN(CC#N)CC[C@H]1NC(=O)CN1C(=O)NC(=O)C1(C)C 943986530 GAKLWRWTPDKZSK-GHMZBOCLSA-N 321.381 -0.333 30 20 DBED O=C1NC[C@H](C(=O)NCC2CCN(C(=O)C#CC3CC3)CC2)N1 948924384 CPUBHWIVXMNWLC-CYBMUJFWSA-N 318.377 -0.564 30 20 DBED Cn1ncc(C(=O)N2CC[C@H]2CNC(=O)c2cc(C#N)c[nH]2)n1 949283971 VJMHAFMQVKDESI-JTQLQIEISA-N 313.321 -0.341 30 20 DBED C=CCN1CCOC2(CCN(C(=O)Cn3ncnn3)CC2)C1 949365872 KDZALVMYPJSCJQ-UHFFFAOYSA-N 306.370 -0.448 30 20 DBED CN1CC[C@H](C(=O)NC[C@@H]2CCN2C(=O)C#CC2CC2)CC1=O 950952302 JCWGFTOIUKSWER-KBPBESRZSA-N 317.389 -0.015 30 20 DBED Cc1nc(O)c(C(=O)NC[C@@H]2CN(CC#N)C[C@@H]2O)nc1C 958179127 IDPFYOZVXSNIAN-MNOVXSKESA-N 305.338 -0.655 30 20 DBED CCc1cc(C(=O)NC[C@H]2CN(CC#N)C[C@H]2O)cc(O)n1 958267370 MXCMLNDCSHMQAW-WCQYABFASA-N 304.350 -0.104 30 20 DBED C#CCCN1C[C@@H](O)[C@H](CNC(=O)c2conc2COC)C1 958585400 YHNATRQGIGWDCO-BXUZGUMPSA-N 307.350 -0.133 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CN(C(=O)[C@@H]3COCCN3C)C[C@H]2C1 961409491 JHOPQELJWSKPGF-MQYQWHSLSA-N 320.393 -0.607 30 20 DBED Cc1nc(C)c(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)o1 962054528 LTTDRWYVYDQXTM-ONOSFVFSSA-N 306.322 -0.247 30 20 DBED Cc1cc(C)n(CC(=O)N[C@H]2[C@@H]3CN(CC#N)C[C@@H]32)c(=O)n1 962154693 KCXYCUYEGGMVBQ-IMRBUKKESA-N 301.350 -0.570 30 20 DBED C#CCCN1C[C@H]2[C@H](NC(=O)Cn3c(C)cc(C)nc3=O)[C@H]2C1 962161038 WLFSUICLGMCIHS-FOLVSLTJSA-N 314.389 -0.070 30 20 DBED CN(C(=O)c1cn(CC(N)=O)nn1)C1CCC(NCC#N)CC1 964436453 GVVMSDWPJQFPMP-UHFFFAOYSA-N 319.369 -0.740 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)C(N)=O)CC1 965198971 VBWFMOWTELRMKY-UTUOFQBUSA-N 309.366 -0.440 30 20 DBED CC#CCN1CC[C@H](C)[C@H](NC(=O)CN2CCNC(=O)C2)C1 967725397 UBTXFYRSRXTIPB-UONOGXRCSA-N 306.410 -0.732 30 20 DBED Cc1c(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)ccn1C 970364173 LYZSUBRNUKDBKP-WQAKAFBOSA-N 304.350 -0.205 30 20 DBED C=CCN1CC[C@H](N[C@@H]2CCN(C(=O)c3nonc3C)C2)C1=O 970866450 WVTBSXOTFFEUQS-NEPJUHHUSA-N 319.365 -0.031 30 20 DBED Cn1ccc(CC(=O)N2CC[C@@]3(CN(CC#N)CCO3)C2)n1 972381964 OMYVLNZZVLCKJS-OAHLLOKOSA-N 303.366 -0.211 30 20 DBED CN1CC(=O)N(CC(=O)N[C@H]2CN(CC#N)CC2(C)C)C1=O 977565434 IJLIHYLNBRLNIV-JTQLQIEISA-N 307.354 -0.769 30 20 DBED CN(C[C@@H]1CCN1C(=O)c1c[nH]c(C#N)c1)C(=O)c1nc[nH]n1 978195200 OTBLJCRPYMQVST-NSHDSACASA-N 313.321 -0.009 30 20 DBED N#CCN[C@H]1CCC[C@@H](NC(=O)CN2CCC(=O)NC2=O)C1 981441159 OEIBRZBEZRYOPP-WDEREUQCSA-N 307.354 -0.531 30 20 DBED N#CCN1CCCN(C(=O)[C@H]2CCc3nnc(O)n3C2)CC1 981477553 ZHWYDPSUCMXPIN-NSHDSACASA-N 304.354 -0.396 30 20 DBED C[C@@H]1[C@H](NCC#N)CCN1C(=O)c1coc(S(N)(=O)=O)c1 986435976 DQYYRJPMPAXXNI-PSASIEDQSA-N 312.351 -0.357 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)C3(C(N)=O)CC3)C[C@H]2C1 986596134 LEBRFQJAYDMXMX-UTUOFQBUSA-N 318.377 -0.282 30 20 DBED CC#CCN1CC[C@@]2(NC(=O)CN3C(=O)CNC3=O)CCC[C@H]12 992465672 DYOACZGPHDNMIZ-LRDDRELGSA-N 318.377 -0.325 30 20 DBED Cc1nonc1C(=O)NC1CN(C(=O)c2c[nH]c(C#N)c2)C1 994939454 RAVPPEKJAKOLSF-UHFFFAOYSA-N 300.278 -0.168 30 20 DBED C=C[C@](C)(CC)C(=O)N1CC(NC(=O)CN2CC(=O)NC2=O)C1 997769791 MJNVVALTNRDCLZ-OAHLLOKOSA-N 322.365 -0.533 30 20 DBED C#Cc1cncc(C(=O)NC2CN(C(=O)[C@H]3CCC(=O)N3)C2)c1 999304606 OMQSHKJFSRMRIL-CYBMUJFWSA-N 312.329 -0.718 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)c2[nH]nnc2C)C1 1000017611 REZZOEJTHDJMIT-MNOVXSKESA-N 305.338 -0.355 30 20 DBED C[C@H](C#N)C(=O)N1CCC(=O)NCCN(C(=O)[C@@H]2C[C@H]2C)CC1 1001777424 ONOOZVAXDKLSGK-JHJVBQTASA-N 320.393 -0.021 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CN(C(=O)c2cnn[nH]2)C1 1002201509 PIAKDAUMKIDTIC-AAEUAGOBSA-N 319.365 -0.026 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CCCN([C@H]3CCNC3=O)C2)[nH]1 1007143549 NGAPWQNYVZADND-YPMHNXCESA-N 301.350 -0.031 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCC1[C@@H]2CN(C(=O)COC)C[C@@H]12 1009187424 CKJONEYOGGPSHJ-KKUMJFAQSA-N 319.405 -0.449 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CCN(Cc3nc(O)n[nH]3)C2)c[nH]1 1010692022 USEPFIKUDVQHHE-SECBINFHSA-N 301.310 -0.286 30 20 DBED C=C(Cl)CN1CC[C@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 1016283105 GUSRVGZLNWSGQO-UWVGGRQHSA-N 307.803 -0.379 30 20 DBED CC#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)CC[C@@H]1NC(=O)NC1=O 1018246367 MVWUSIRFPSKRPU-XQQFMLRXSA-N 318.377 -0.327 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCN(C(=O)[C@@H]3CN(C)CCO3)C2)C1 1019362029 YNQTXVLCLTUPFI-OLZOCXBDSA-N 320.393 -0.462 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCN(C(=O)[C@@H]3CN(C)C(=O)N3)C2)C1 1019365017 RSPJXZSSEGEDAH-QWRGUYRKSA-N 319.365 -0.769 30 20 DBED C=CCN1CC[C@@H](N[C@H]2C[C@H](NC(=O)[C@@H]3CCC(=O)N3)C2)C1=O 1020950911 KJTUOSZIZGGDOB-ZDEQEGDKSA-N 320.393 -0.711 30 20 DBED CCn1ccnc1C(=O)N[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1O 1023542744 VDHFREPAOLCTIE-GMTAPVOTSA-N 305.338 -0.636 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)[C@H]1CCNC1=O 1026625136 JQRAIJCMVQDIJR-KGYLQXTDSA-N 303.362 -0.501 30 20 DBED CC#CCN1C[C@@H]2C[C@H]1CN2C(=O)c1nc(O)nc(O)c1OC 1032729606 DZVITFZDXUBCDK-UWVGGRQHSA-N 318.333 -0.182 30 20 DBED N#CCN1CCO[C@H](CNC(=O)[C@@H]2CCc3c[nH]nc3C2)C1 1035612409 YVYVGROHUNRTSD-DGCLKSJQSA-N 303.366 -0.145 30 20 DBED C=C(C)CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)Cn1cnc(C(N)=O)n1 1037414982 FYVVKBVKMNVJIH-NTZNESFSSA-N 318.381 -0.468 30 20 DBED C=C(C)CN1C[C@H]2C[C@H]1[C@H]2NC(=O)Cn1ccc(O)nc1=O 1037494538 XNZFMVYVMCFQAW-SUNKGSAMSA-N 304.350 -0.286 30 20 DBED Cc1c[nH]c(CC(N)=O)c1C(=O)N[C@@H]1[C@H]2C[C@H]1N(CC#N)C2 1037592590 USSCCKHJGRSBFK-DRCTWCGVSA-N 301.350 -0.323 30 20 DBED C[C@H](c1nnnn1C)N1CC[C@H]1CNC(=O)c1c[nH]c(C#N)c1 1038175285 NRZOVSTWOLHYKD-SKDRFNHKSA-N 314.353 -0.025 30 20 DBED C#CCN1CC[C@@H]1CNC(=O)c1cn(C[C@H]2CCOC2)nn1 1038869519 QLYJPQMCQUXOCK-CHWSQXEVSA-N 303.366 -0.248 30 20 DBED C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1COCCN1C(C)=O 1039471527 BREDBDSPAQGTCI-PMPSAXMXSA-N 319.405 -0.068 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)CCc2ncc[nH]2)C1 1039590877 NSEOIMTYNGLNFG-XHDPSFHLSA-N 319.365 -0.418 30 20 DBED C#CCOCCC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2CC23CC3)C1 1041024671 UAEAILCPBBZXMT-SUMWQHHRSA-N 320.389 -0.094 30 20 DBED C=CCOc1cccnc1C(=O)N1CC(O)(CNC(C)=O)C1 1041055797 QOAGPBVVMKPNHD-UHFFFAOYSA-N 305.334 -0.031 30 20 DBED C=CCCOCC(=O)N1CC(O)(CNC(=O)c2cc(C)on2)C1 1041371685 ZDQPJDPMWTWBQG-UHFFFAOYSA-N 323.349 -0.121 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)[C@@H](C)SC)C1 1041624457 NXQBEWWTQJUNLC-LLVKDONJSA-N 314.407 -0.533 30 20 DBED N#CCN1CC[C@H]2CCN(C(=O)CN3CCCNC3=O)C[C@H]21 1042136172 RPLBIZZAWNPFMN-QWHCGFSZSA-N 305.382 -0.152 30 20 DBED CC(C)(C)C#CC(=O)NCC1(O)CN(C(=O)Cn2cccn2)C1 1042966419 WHTAURMJSXJABJ-UHFFFAOYSA-N 318.377 -0.378 30 20 DBED Cn1ccc(C(=O)N2CC(O)(CNC(=O)C#CC(C)(C)C)C2)n1 1042970763 WOJQEYZNDCLGDD-UHFFFAOYSA-N 318.377 -0.227 30 20 DBED C=CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)CCOCC)C1 1043571021 LSBXNHVYTQYVGX-GFCCVEGCSA-N 314.382 -0.306 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]3C=C[C@H]2O3)C1 1043619385 JVXSLUBVXTWMLC-MGPQQGTHSA-N 318.373 -0.321 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)C(C)(C)N2CCCC2)C1 1044391236 NWEXTTNTYREMOY-LBPRGKRZSA-N 322.409 -0.290 30 20 DBED O=C1CC[C@H](NC[C@@H]2CCCN2C(=O)C#CC2CC2)C(=O)N1 1045030994 AMPMWPRZPHUJDC-STQMWFEESA-N 303.362 -0.214 30 20 DBED CCc1nnsc1C(=O)N1CC(O)(CNC(=O)[C@H](C)C#N)C1 1045555188 OGOPFOSADSOGRO-MRVPVSSYSA-N 323.378 -0.437 30 20 DBED C=CCn1cc(C(=O)N[C@]2(C)CCN([C@@H](C)C(=O)NC)C2)nn1 1046681340 NNNMZNUHYBIIEL-XHDPSFHLSA-N 320.397 -0.207 30 20 DBED N#CCN1C[C@H]2C[C@@H](NC(=O)CN3CCCNC3=O)C[C@H]1C2 1047102019 JYWZXSMTVDAHOI-YNEHKIRRSA-N 305.382 -0.106 30 20 DBED CCCCN1CCOC[C@H]1C(=O)N(C)[C@H]1CN(CC#N)C[C@@H]1O 1047473757 XIEXJLMUKFQTIK-KKUMJFAQSA-N 324.425 -0.486 30 20 DBED CN1C[C@H](C(=O)NC[C@@H]2C[C@@H]3CC[C@H](C2)N3CC#N)NC1=O 1048552789 YUTKGTQFYBBTKN-YVECIDJPSA-N 305.382 -0.107 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H](COC)OC)C1 1049494872 QNMJQAXYAHQSTH-AVGNSLFASA-N 314.382 -0.356 30 20 DBED Cn1nc(C(=O)N2CCC[C@H]3[C@H]2CCN3CC#N)ccc1=O 1049882108 VCVKMLWZDRSANE-QWHCGFSZSA-N 301.350 -0.017 30 20 DBED CC(C)C#CC(=O)N[C@@H](C)[C@@H]1CCN(C(=O)CNC(N)=O)C1 1049982934 JMNFCOIYDHGSQQ-NWDGAFQWSA-N 308.382 -0.333 30 20 DBED C=C(Cl)CN1CCOC[C@H]1CNC(=O)[C@@H]1CCNC1=O 1051059645 GWMXIHGRQGKLHT-GHMZBOCLSA-N 301.774 -0.308 30 20 DBED C=CCN1CCOC[C@@H]1CNC(=O)c1ccoc1CC(N)=O 1051084418 QZJGTVFOZMYITQ-NSHDSACASA-N 307.350 -0.076 30 20 DBED N#Cc1c(F)cccc1N1CC[C@@H](NC(=O)C(N)=O)[C@H](O)C1 1051765598 BSKLOAMQJWREGE-ZYHUDNBSSA-N 306.297 -0.762 30 20 DBED C=CCN1CC2(C1)CN(C(=O)C1CS(=O)(=O)C1)CCO2 1053271103 VWKPCMIKUOYAPO-UHFFFAOYSA-N 300.380 -0.870 30 20 DBED C#CCN1CC2(C1)CN(C(=O)c1c(C)nnn1CC)CCO2 1053284731 GXGQMDTWXZLAHY-UHFFFAOYSA-N 303.366 -0.234 30 20 DBED C#Cc1cncc(C(=O)N2CCOC3(CN(CC(N)=O)C3)C2)c1 1053422441 IOEKSQSXLVRMLD-UHFFFAOYSA-N 314.345 -0.925 30 20 DBED CN1C(=O)CCC[C@H]1C(=O)NC[C@H]1CCC2(CN(CC#N)C2)O1 1053694744 YOIMGLSISIMDKO-OLZOCXBDSA-N 320.393 -0.130 30 20 DBED CCN1CCO[C@@H](C(=O)NC[C@@H]2CCC3(CN(CC#N)C3)O2)C1 1053699165 BURBAAJMPRAIAC-UONOGXRCSA-N 322.409 -0.420 30 20 DBED Cn1c(C(=O)N[C@@H]2COC3(C2)CN(CC#N)C3)cccc1=O 1053921661 KRXKCZXZHHULIS-NSHDSACASA-N 302.334 -0.518 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@](CO)(NC(=O)C(C)C)C1 1055774119 TXUPZIDBXUHIAP-INIZCTEOSA-N 323.393 -0.748 30 20 DBED Cn1ncc(C(=O)N2CCN(c3ccc(C#N)nn3)CC2)c1N 1055776630 BLFZOHDVKQBKGF-UHFFFAOYSA-N 312.337 -0.374 30 20 DBED C=CCOCC(=O)N[C@]1(CO)CCCN(C(=O)CCOC)C1 1055830933 GUOJRIJJJLQYTC-OAHLLOKOSA-N 314.382 -0.305 30 20 DBED N#Cc1ccc(N2C[C@@H]3C(NC(=O)c4ccc(O)nn4)[C@H]3C2)nn1 1056115230 VEKAIEURTCBBNM-UWVGGRQHSA-N 323.316 -0.292 30 20 DBED N#Cc1cccnc1N1C[C@H]2[C@H](NC(=O)[C@H]3COC(=O)N3)[C@H]2C1 1056193991 JSRWIWHQNWGACT-KXNHARMFSA-N 313.317 -0.388 30 20 DBED N#Cc1cnc(N[C@@H]2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)cn1 1056779445 GAXCGOYKNDHLLS-IEBDPFPHSA-N 300.322 -0.518 30 20 DBED CN(c1ccnc(C#N)n1)[C@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 1056910099 LAHCLFIKATWMJY-UWVGGRQHSA-N 316.321 -0.506 30 20 DBED CN(c1ncccc1C#N)[C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 1057018117 YKIXYBKPGWGIHZ-NWDGAFQWSA-N 314.349 -0.328 30 20 DBED C=CCCO[C@H](C)C(=O)N(CCO)CCNC(=O)c1cc[nH]n1 1057144751 XYPXXUABIRIXTA-GFCCVEGCSA-N 324.381 -0.058 30 20 DBED O=C(CCc1cnn[nH]1)NCCN(CCO)C(=O)C#CC1CC1 1057536439 XYOZMAOMTNMTEW-UHFFFAOYSA-N 319.365 -0.912 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)c1cc2n(n1)CCC2 1057896108 QYOTUSFMMNNZCL-NSHDSACASA-N 319.365 -0.460 30 20 DBED N#Cc1ccc(N2CC[C@@H](NC(=O)[C@@H]3COC(=O)N3)C2)nc1 1058350434 KWPBCDLYUWERRZ-MNOVXSKESA-N 301.306 -0.243 30 20 DBED Cc1nc(CC(=O)N[C@H]2CCN(c3ccnc(C#N)n3)C2)n[nH]1 1058352274 PRNNCMCIFYQVCS-JTQLQIEISA-N 312.337 -0.288 30 20 DBED C=C[C@@H](CC)CC(=O)NCCN(CCO)C(=O)c1nnn(C)n1 1058422136 VDPYGZANRJEJOR-NSHDSACASA-N 324.385 -0.637 30 20 DBED N#Cc1cnc(N[C@H]2C[C@@H](NC(=O)[C@H]3CC[C@H]3C(N)=O)C2)cn1 1059784417 QRARRQHBOMYXPJ-DMWPJOQESA-N 314.349 -0.081 30 20 DBED C=CCCC(=O)NC[C@@H]1COCCN1C(=O)C[C@@H]1CCC(=O)N1 1061407482 QEGDSMIKAZCCHT-QWHCGFSZSA-N 323.393 -0.035 30 20 DBED C=CCCCC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1CCC(=O)N1 1061831835 ZBWSJOBNBFAXCC-STQMWFEESA-N 323.393 -0.035 30 20 DBED CCC(=O)NCC(=O)N1CCOC[C@@H]1CNC(=O)[C@H](C)C#N 1061846192 NRVCBJZWRQLNHF-MNOVXSKESA-N 310.354 -0.984 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)CCc1cn[nH]c1 1061853818 UXBJPECISPJJJA-AAEUAGOBSA-N 319.365 -0.154 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)c2cn(C)c(=O)n2C)CCC1 1064310157 FYKSDFCHYKGJEI-SNVBAGLBSA-N 319.365 -0.348 30 20 DBED N#CCSCC(=O)N1CCO[C@@H](CNC(=O)c2ccon2)C1 1064881631 XKORSTRHGQVLOH-JTQLQIEISA-N 324.362 -0.111 30 20 DBED C=CCCC(=O)N1CCO[C@H](CNC(=O)c2cnn(C)n2)C1 1064956151 RZXFNYJLJWUGBY-LLVKDONJSA-N 307.354 -0.262 30 20 DBED Cc1cnn(C)c1C(=O)N1CCO[C@H](CNC(=O)[C@@H](C)C#N)C1 1065475165 MJWHHLCNBNRYDA-CMPLNLGQSA-N 319.365 -0.155 30 20 DBED N#Cc1ccc(N2CCOC[C@@H]2CNC(=O)c2ccon2)nn1 1066469116 WVOJGKHCEHMHIF-NSHDSACASA-N 314.305 -0.029 30 20 DBED Cc1cc(C#N)nc(N2CC[C@@H](NC(=O)C(N)=O)C(C)(C)C2)n1 1067336156 HAKABYGMUMAKHH-LLVKDONJSA-N 316.365 -0.137 30 20 DBED N#Cc1ccc(N2CCO[C@@]3(CCN(C(=O)C(N)=O)C3)C2)cn1 1068083570 GWIRNLFTKQSOHP-HNNXBMFYSA-N 315.333 -0.754 30 20 DBED CC1(C)CN(c2ncc(C#N)cc2F)C[C@H]1NC(=O)C(N)=O 1068133340 GVHWFWONUDERTP-SNVBAGLBSA-N 305.313 -0.091 30 20 DBED CC#CCN1CCn2ncc(CNC(=O)[C@H]3COCCO3)c2C1 1069854026 QMMXWZXSUXSTCI-OAHLLOKOSA-N 318.377 -0.246 30 20 DBED C#CCN1CCn2ncc(CNC(=O)c3nccnc3N)c2C1 1069856117 HOASYEJWVPXWEJ-UHFFFAOYSA-N 311.349 -0.366 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H]2CCN(C)C2)C1 1070095987 CMQIXVKLDGOVCS-MJBXVCDLSA-N 302.382 -0.796 30 20 DBED CN1CC[C@H](C(=O)N[C@@H]2CN(CC#N)C[C@@H]2n2ccnn2)C1 1070096438 ZZBYNZSTCVPNEG-XQQFMLRXSA-N 303.370 -0.905 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)CC(=O)N(C)C)CCOCC1 1070120949 NULFXMFIHMHBHK-LLVKDONJSA-N 324.381 -0.594 30 20 DBED C#CCN[C@@H]1CN(C(=O)C[C@@H]2COC(=O)C2)C[C@@H]1n1ccnn1 1070176629 KERPKGNKWFHSJG-XQQFMLRXSA-N 317.349 -0.794 30 20 DBED C#CCOCCC(=O)N1CCC[C@@H](NC(=O)C(C)(C)C(N)=O)C1 1070729144 AIQZIXQDNNGWEI-GFCCVEGCSA-N 323.393 -0.355 30 20 DBED COCC(=O)N1CC[C@H](N2C(=O)O[C@H]3CN(CC#N)C[C@H]32)C1 1070897541 NGJLDCPDPWNLPI-TUAOUCFPSA-N 308.338 -0.738 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CCCN(C(=O)c2cc(=O)n(C)cn2)C1 1070923140 PCHFROQNCVODNK-GHMZBOCLSA-N 317.349 -0.339 30 20 DBED C=C(C)CN1CCNC(=O)CCN(C(=O)[C@H]2CCC(=O)N2)CC1 1070948457 MZXNGFBOVJMYGX-CYBMUJFWSA-N 322.409 -0.508 30 20 DBED CC#CCN1CCNC(=O)CCN(C(=O)Cc2cc[nH]n2)CC1 1070950109 LGKNXNNAQJMUTB-UHFFFAOYSA-N 317.393 -0.374 30 20 DBED CCn1ncc(C(=O)N2CCC(=O)NCCN(CC#N)CC2)n1 1070960028 RUTUMMDJFBTXKM-UHFFFAOYSA-N 319.369 -0.914 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)c2csnn2)CC1 1070982748 KVRAHSFDDSZGQS-UHFFFAOYSA-N 309.395 -0.012 30 20 DBED C#CCN[C@@H]1CCO[C@H]1C1CCN(C(=O)C2(C(N)=O)CC2)CC1 1071082828 QZNCZGVVUIPTKY-KGLIPLIRSA-N 319.405 -0.129 30 20 DBED C#CCCN1CC[C@@]2(C1)CN(C(=O)Cn1cnnn1)C[C@@H](C)O2 1071134693 WHDZTBFXABYXBM-UKRRQHHQSA-N 318.381 -0.612 30 20 DBED C=C(C)CN1CC[C@@]2(C1)CN(C(=O)Cn1ncnn1)C[C@@H](C)O2 1071169572 TZWSEMQWZIFBRD-UKRRQHHQSA-N 320.397 -0.059 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H](C)[C@@H](NC(=O)c2ccon2)C1 1071935672 FQQYPAMORWBEAY-JQWIXIFHSA-N 318.333 -0.609 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)CNC(N)=O)C(C)(C)C1 1073306383 JKOUGAQLKMUKCE-UWVGGRQHSA-N 309.370 -0.442 30 20 DBED C=C[C@@H](C)[C@H](C)C(=O)N1CCN(C2CN(C(=O)C(N)=O)C2)CC1 1073591150 VCUULEIRNHPDHD-NEPJUHHUSA-N 322.409 -0.715 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)[C@@H]2CCc3nncn3C2)C1 1073901655 AHUOZRDWJDOZFC-ZIAGYGMSSA-N 317.393 -0.319 30 20 DBED C#CCCCC(=O)NCC[C@H](C)NC(=O)CN1C(=O)CCC1=O 1076296585 KYCLNENQSLSIHW-LBPRGKRZSA-N 321.377 -0.050 30 20 DBED C#CCOCCC(=O)NCC[C@H](C)NC(=O)[C@H]1CCC(=O)NC1 1076507906 ZSPUTXJWUZTIKJ-STQMWFEESA-N 323.393 -0.437 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2COCCN2C)C1 1076907591 VAIUOBOTLGSWGR-GRYCIOLGSA-N 303.790 -0.769 30 20 DBED C=CCO[C@H](C)C(=O)NCC[C@H](C)NC(=O)CCn1cnnn1 1077066768 XGCXCFBZBVSMLE-NWDGAFQWSA-N 324.385 -0.335 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2COCCN2CC2CCC2)C1 1077447565 DAPIJZKYRPQIEK-OWCLPIDISA-N 321.421 -0.718 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)c2cccc(C(=O)NC)c2)C1 1078201808 PJMMRYWDWZJNKO-HUUCEWRRSA-N 315.373 -0.156 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3nnc(C)n3C2)C1 1078219479 BOSCHWFZAWTBSY-MGPQQGTHSA-N 319.409 -0.114 30 20 DBED C[C@@H]1CN(Cc2nnn(C)n2)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 1079594030 VBPXPUSKOHZCEU-BXKDBHETSA-N 314.353 -0.340 30 20 DBED CC(F)(F)C(=O)NC[C@@H]1CN(C(=O)CSCC#N)C[C@H]1O 1081183953 MTBLZCDMNCKEGR-RKDXNWHRSA-N 321.349 -0.166 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(C(=O)c2cnco2)C[C@H]1O 1081473778 KLWRZRBQVSZWJY-VXGBXAGGSA-N 303.318 -0.363 30 20 DBED C=CCCOCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cnco2)C1 1081623416 KZCCOOISDRBWQZ-NEPJUHHUSA-N 323.349 -0.184 30 20 DBED Cn1nc(C(=O)N[C@@H]2CN(CC#N)C[C@@H]2O)c2c1CCCC2 1083795309 SWAGJCZMJNEWFH-YPMHNXCESA-N 303.366 -0.403 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)c2cnccc2N(C)C)C1 1083962121 WMLXTMIFBSVIOU-HIFRSBDPSA-N 302.378 -0.054 30 20 DBED COCCN1C[C@@H](C(=O)N(C)C[C@@H]2CCN2CC#N)CC1=O 1085626090 FYHMOKFWQQTZAO-STQMWFEESA-N 308.382 -0.462 30 20 DBED CN(C[C@@H]1CCN1CC#N)C(=O)[C@H]1CCc2nnn(C)c2C1 1085787460 PKBVLMFXKDRKQW-RYUDHWBXSA-N 302.382 -0.024 30 20 DBED Cn1nnnc1CN1CC[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2C1 1087962080 WVKOPGHRCGJDJA-KGLIPLIRSA-N 314.393 -0.096 30 20 DBED CCN(c1cnc(C#N)cn1)[C@H](C)CNC(=O)c1nnn(C)n1 1089723732 BYEFYSYTSAYQTK-SECBINFHSA-N 315.341 -0.483 30 20 DBED COC[C@H](OC)C(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1C 1090820566 CXDBBWGDFCKYDS-RTXFEEFZSA-N 319.365 -0.049 30 20 DBED C=C(C)CN1C[C@@H]2CN(C(=O)Cn3ncn(C)c3=O)C[C@]2(C)C1 1091802597 DEWDMJCTXJISCH-CJNGLKHVSA-N 319.409 -0.062 30 20 DBED CC#CCN1CC(n2cc(CNC(=O)[C@H]3CCOC3)nn2)C1 1094279242 DODWRXLKQDHBHU-LBPRGKRZSA-N 303.366 -0.189 30 20 DBED N#CCN1CC(n2cc(CNC(=O)C3=CCOCC3)nn2)C1 1094286734 OIRSYGYUNWZUBY-UHFFFAOYSA-N 302.338 -0.379 30 20 DBED N#CCN1CC(n2cc(CNC(=O)c3ccc(O)nc3)nn2)C1 1094337860 WBBQTSGJVWQSHU-UHFFFAOYSA-N 313.321 -0.311 30 20 DBED C[C@H](C#N)C(=O)N1CCN(CCF)[C@H]2CS(=O)(=O)C[C@H]21 1094614599 JRWVSFWZHBOCEA-OUAUKWLOSA-N 303.359 -0.575 30 20 DBED N#CCN1CC(N2C[C@@H](NC(=O)c3cc(Cl)no3)CC2=O)C1 1094806558 SUGLGHRYSMWGCG-QMMMGPOBSA-N 323.740 -0.134 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)c3nonc3C)CC2=O)C1 1094825259 OUYINQZRVPFYJO-SNVBAGLBSA-N 303.322 -0.974 30 20 DBED CN(CCCNC(=O)Cn1cncn1)c1ccc(C#N)nn1 1095555925 OBMIXJSIXKPVEQ-UHFFFAOYSA-N 300.326 -0.418 30 20 DBED CNC(=O)CC(=O)N[C@H]1CCCN(c2ccc(C#N)nn2)C1 1096159955 GKHGKSFDIAVTOE-NSHDSACASA-N 302.338 -0.431 30 20 DBED C[C@H](CNC(=O)[C@@H]1COCCN1C)Nc1ccc(C#N)nn1 1097764133 BBXBWWLOLLSDIM-PWSUYJOCSA-N 304.354 -0.405 30 20 DBED C[C@H](CNC(=O)[C@@H](C)n1cncn1)N=c1cc[nH]c(C#N)n1 1097785810 UFPFXWAVPWKAEI-NXEZZACHSA-N 300.326 -0.461 30 20 DBED C#CCCNCc1cn([C@H]2CCN(C(=O)c3cnn[nH]3)C2)nn1 1098688758 XUGLKVQGJMNFGS-LBPRGKRZSA-N 314.353 -0.404 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)c2ccncc2)[C@@H](O)C1 1099620091 JBLKQJZTHYLSNG-KBPBESRZSA-N 318.377 -0.451 30 20 DBED C/C(=C\C(=O)N[C@@H]1CCN(CC(=O)NCC#N)C[C@H]1O)C1CC1 1099715899 MKHWOVWHFUJJHM-DVFZLIDBSA-N 320.393 -0.466 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)/C=C\C2CC2)[C@@H](O)C1 1099767000 TUJSWZCPQRJEPC-LAWSMPECSA-N 307.394 -0.194 30 20 DBED CC(C)(C)C#CC(=O)N[C@@H]1CCN(CC(=O)NC2CC2)C[C@H]1O 1099830823 YPSYOGPZZJCTFH-ZIAGYGMSSA-N 321.421 -0.134 30 20 DBED CCCC(=O)NCC(=O)NCCN(C)c1ccnc(C#N)n1 1099974568 IDEBGYJSQSTOIG-UHFFFAOYSA-N 304.354 -0.183 30 20 DBED CC1(C(=O)N[C@@H]2CCN(CC(=O)NCC#N)C[C@H]2O)CC=CC1 1099979442 UVMAMSRMLWFZCL-CHWSQXEVSA-N 320.393 -0.466 30 20 DBED CN1C[C@H](C(=O)NCCN(C)c2ccc(C#N)cn2)CC1=O 1100384114 ZMDJOXYYHFRQJG-GFCCVEGCSA-N 301.350 -0.016 30 20 DBED CCN(CCNC(=O)CCNC(N)=O)c1nccnc1C#N 1100529035 GDZKXRPSQLTYDE-UHFFFAOYSA-N 305.342 -0.651 30 20 DBED C=CCNC(=O)CNC1CC(CNC(=O)[C@@H](COC)OC)C1 1100656781 MHYVMYXLCDRYGT-WXRRBKDZSA-N 313.398 -0.566 30 20 DBED C#CCNC1CC(CNC(=O)[C@@H](NS(C)(=O)=O)C(C)C)C1 1100739356 UHMJFVFSYHVZCS-BPCQOVAHSA-N 315.439 -0.322 30 20 DBED Cc1c[nH]c(C(=O)NCC2CC(NCC(=O)NCC#N)C2)n1 1100744069 HSAWKLIPEDRBCZ-UHFFFAOYSA-N 304.354 -0.544 30 20 DBED N#Cc1nccc(N(CCNC(=O)CCNC(N)=O)C2CC2)n1 1101345479 PELOKRCQDWPOKX-UHFFFAOYSA-N 317.353 -0.508 30 20 DBED CNC(=O)NC(C)(C)C(=O)N(C)CCN=c1cc[nH]c(C#N)n1 1101644324 IDSGDLRSJMDLBA-UHFFFAOYSA-N 319.369 -0.652 30 20 DBED CN(CCNc1cnc(C#N)cn1)C(=O)C1CS(=O)(=O)C1 1101794564 NVMKROOBMMZFMD-UHFFFAOYSA-N 309.351 -0.737 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](C)[C@H](CNC(=O)c2ncc[nH]2)C1 1101943082 IBQMWCHOZCQCNK-FRRDWIJNSA-N 317.393 -0.155 30 20 DBED C[C@@H](C(=O)N(C)CCN=c1cc[nH]c(C#N)n1)[C@H]1CCC(=O)N1 1101966064 VQYRORZVALZWOP-GHMZBOCLSA-N 316.365 -0.445 30 20 DBED CC[C@@H](CNC(=O)CNC(=O)NC)N=c1cc(C)[nH]cc1C#N 1103352464 HEGOQBFOQIQSRE-LBPRGKRZSA-N 318.381 -0.081 30 20 DBED C[C@@](CNc1ccc(C#N)nn1)(NC(=O)CC(N)=O)C1CC1 1103506919 KYAQFNTZJZFUOB-AWEZNQCLSA-N 302.338 -0.080 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)C[C@H]1CCNC1=O 1104712300 KZHXJMWNJBOQKP-GHMZBOCLSA-N 316.365 -0.445 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(n2cc(CNC[C@H](C)O)nn2)C1 1105240262 GCMUPDHYIRMGMW-RYUDHWBXSA-N 321.381 -0.830 30 20 DBED CN(CCN(C)c1nccnc1C#N)C(=O)[C@H]1CCCNC1=O 1105486301 VMQPZLCVKJMJGA-NSHDSACASA-N 316.365 -0.231 30 20 DBED N#Cc1ccc(C(=O)NC[C@@H](O)CN=c2cc[nH]cc2C#N)[nH]1 1105789085 QMNSLNVKKFCHKQ-LBPRGKRZSA-N 310.317 -0.222 30 20 DBED COc1cc(C(=O)NC[C@@H](O)CN=c2cc[nH]cc2C#N)on1 1105795102 TYUTUWBGKXYYQM-JTQLQIEISA-N 317.305 -0.425 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@H](O)CN=c1cc[nH]cc1C#N 1105805906 LYMBSTLFTOYJBI-SWLSCSKDSA-N 304.350 -0.409 30 20 DBED N#Cc1cnc(NC[C@H](O)CNC(=O)c2cnon2)c(F)c1 1105928033 IFLDUXCUTBKFFR-QMMMGPOBSA-N 306.257 -0.322 30 20 DBED N#Cc1cncc(NC[C@@H](O)CNC(=O)CC2=CCOCC2)n1 1106078980 SENYVQMPXIEUIX-CYBMUJFWSA-N 317.349 -0.026 30 20 DBED CCN(CCN=c1cc[nH]cc1C#N)C(=O)[C@H]1CCC(=O)N1 1106706107 SXPWYFUIUUXYJE-CYBMUJFWSA-N 301.350 -0.086 30 20 DBED CCc1nc(C#N)cc(NC[C@@H](C)NC(=O)CCNC(N)=O)n1 1107756472 GJYWEJXKUZCWLY-SECBINFHSA-N 319.369 -0.114 30 20 DBED C[C@H](CNc1ccc(C#N)nn1)NC(=O)COCCN(C)C 1107848390 GDFQPFSPSASIBL-LLVKDONJSA-N 306.370 -0.157 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)C(=O)NCC1CC1 1107906129 QYRURGIVCSJDBE-SECBINFHSA-N 302.338 -0.787 30 20 DBED COC[C@@H](O)CN1CCO[C@](C)(CNC(=O)C#CC2CC2)C1 1107932332 KHUHFPXCVDFJSG-GOEBONIOSA-N 310.394 -0.386 30 20 DBED C[C@@H](CNc1ncccc1C#N)NC(=O)CCn1cnnn1 1108484230 VGBPWZPIDXHIJR-JTQLQIEISA-N 300.326 -0.053 30 20 DBED CCN1CCOC[C@@H]1C(=O)N[C@@H](C)CNc1cnc(C#N)cn1 1108596357 NDDANIGWWQSVQG-WCQYABFASA-N 318.381 -0.014 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cc1ccon1 1109099402 PEKXQQPICVONEY-RDBSUJKOSA-N 316.361 -0.312 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC#CCOC 1109171047 BVDKOYDBYLJRPI-ILXRZTDVSA-N 317.389 -0.503 30 20 DBED CN(CCCN=c1cc[nH]c(C#N)n1)C(=O)[C@@H]1[C@H]2COC[C@H]21 1109582533 AKQJZHOPFBKSFY-YABSGUDNSA-N 301.350 -0.077 30 20 DBED C[C@@H](CC(=O)NCC1(Nc2cnc(C#N)cn2)CC1)NC(N)=O 1110237170 CXPSPLDLUUCJIM-VIFPVBQESA-N 317.353 -0.144 30 20 DBED CC(=O)NCC(=O)N1CC[C@](C)(CN=c2cc[nH]c(C#N)n2)C1 1110825770 REIXWHFMFITVSK-OAHLLOKOSA-N 316.365 -0.443 30 20 DBED N#Cc1cnc(N2CC[C@@](O)(CNC(=O)c3cnco3)C2)cn1 1111121641 KYFKSZWWDGGVCB-CQSZACIVSA-N 314.305 -0.293 30 20 DBED N#Cc1ccc(NCCN(CCO)C(=O)CC2(O)CCC2)nn1 1111471914 YRFIZWDISWEUGD-UHFFFAOYSA-N 319.365 -0.114 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1O 1112719396 ANMOQVHUJCLDIU-TZMCWYRMSA-N 313.361 -0.079 30 20 DBED CC(=O)N(C)CC(=O)NC[C@@H](C)N(C)c1cncc(C#N)n1 1113498195 NGWYAWWLYFWZBG-SNVBAGLBSA-N 304.354 -0.233 30 20 DBED CC(=O)N[C@H](C)C(=O)NC[C@H](C)N(C)c1cnc(C#N)cn1 1113508726 MIQCTPLTFCDMMQ-VHSXEESVSA-N 304.354 -0.186 30 20 DBED COCC#CCN1CCN(C(=O)[C@H](NC(C)=O)C(C)C)CC1 1113565161 ZHKPNRJTJDAJII-OAHLLOKOSA-N 309.410 -0.059 30 20 DBED C[C@H](CNC(=O)Cn1cnnc1O)N(C)c1cnc(C#N)cn1 1113568129 AMTWZHFJAJSUBT-SECBINFHSA-N 316.325 -0.714 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)c3cc(C)no3)[C@H]2C1 1113852662 OSQLMWGPOUMOMI-NMKXLXIOSA-N 316.361 -0.219 30 20 DBED Cc1cc(C(=O)NC2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]23)n(C)n1 1113942414 OCTCEXPQALSXQC-GHMZBOCLSA-N 316.365 -0.972 30 20 DBED C[C@H](CNC(=O)[C@@H]1CCC(=O)NC1)N(C)c1nccnc1C#N 1113961287 JOKICPGQFBKNAM-GHMZBOCLSA-N 316.365 -0.185 30 20 DBED CCc1n[nH]cc1C(=O)NC1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]12 1114501545 DOMCQZMXQDMKKX-GHMZBOCLSA-N 316.365 -0.728 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NC1[C@H]2CN(CC(=O)NC)C[C@H]12 1114932309 IBNHLFBZEUUXHR-AVGNSLFASA-N 322.409 -0.750 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)C[C@H](C)COC)[C@H]2C1 1115051976 DGANWWRNIZNCEF-BCUIYNNISA-N 307.394 -0.545 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3cccn3CC)[C@H]2C1 1115243319 MAYUVNKXBCCSIQ-STQMWFEESA-N 314.389 -0.083 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)CN(C)C(C)C)[C@H]2C1 1115300749 YUYYUNGFKZDWRP-TTZDDIAXSA-N 320.437 -0.489 30 20 DBED C=CCO[C@H](C)C(=O)N[C@H]1[C@@H]2CN(CC(=O)NC(=O)NC)C[C@@H]21 1115333257 VKGKCXGYHGZKMP-DCQANWLSSA-N 324.381 -0.921 30 20 DBED CNCCCc1[nH]nc(NC(=O)[C@@H]2CC[C@H]2C(N)=O)c1C#N 1118752660 RXESHFWDKLEKBH-RKDXNWHRSA-N 304.354 -0.117 30 20 DBED CCc1nc(C#N)cc(N[C@@H](CO)CNC(=O)CCOC)n1 1120980173 RUHBHVIROFKSLE-LLVKDONJSA-N 307.354 -0.164 30 20 DBED CC(=O)CCCC(=O)NC[C@H](CO)Nc1ccc(C#N)nn1 1121051328 XBDLJUOGSMLZRB-GFCCVEGCSA-N 305.338 -0.003 30 20 DBED Cc1nnc(CC(=O)NC[C@H](CO)Nc2ccc(C#N)nn2)o1 1121433599 XPHLWLORKZUUDI-SNVBAGLBSA-N 317.309 -0.829 30 20 DBED COCC[C@@H](C)C(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1 1121606455 DQPJRIWYHXZSSO-MNOVXSKESA-N 307.354 -0.668 30 20 DBED CCN(CC)CC(=O)NC[C@@H](CO)Nc1ccc(C#N)nn1 1121658213 GVBQVPVCGXFXLW-LBPRGKRZSA-N 306.370 -0.421 30 20 DBED C#CCOCCC(=O)NC[C@H](CO)Nc1cc(C)nc(OC)n1 1122026576 DJWAGLIDQRDQMT-GFCCVEGCSA-N 322.365 -0.277 30 20 DBED Cc1nc(C)c(C(=O)NC[C@@H](CO)Nc2nccnc2C#N)[nH]1 1122592613 FAZUTPZSPHQKOT-JTQLQIEISA-N 315.337 -0.109 30 20 DBED C[C@@H]1OCCO[C@@H]1C(=O)NC[C@@H](CO)N=c1cc[nH]cc1C#N 1122776621 YIVAWYVOAPRUFI-JKOKRWQUSA-N 320.349 -0.932 30 20 DBED CN(C[C@@H](O)CNc1nccnc1C#N)C(=O)c1cn[nH]c1 1124179889 LCHCMMXOKXQFRC-JTQLQIEISA-N 301.310 -0.384 30 20 DBED COCCOCC(=O)N(C)C[C@H](O)CNc1cncc(C#N)n1 1124190449 HJEGDKFHLZHMQM-GFCCVEGCSA-N 323.353 -0.758 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1ccnn1C1CCCC1 1128464104 BDXZPQLZAODOHF-UHFFFAOYSA-N 318.381 -0.043 30 20 DBED C=CCCC(=O)NCc1nc([C@H]2CCO[C@H]2CNCCO)n[nH]1 1130193013 FFLCEYLMXKQAPR-RYUDHWBXSA-N 323.397 -0.159 30 20 DBED CCC(=O)NCC(=O)N1C[C@@H](NCC#N)[C@H](c2cn(C)cn2)C1 1130531796 GJVLGDKRCGGJEU-WCQYABFASA-N 318.381 -0.646 30 20 DBED C#CCCN1C[C@@H](F)C[C@@H]1c1n[nH]c(CNC(=O)C(N)=O)n1 1131156822 HZINQRKGQADVBZ-DTWKUNHWSA-N 308.317 -0.986 30 20 DBED CC#CCN1CC[C@@]2(C1)CN(C(=O)CNC(=O)NC)C[C@H](C)O2 1131665882 KJHBTKVJRDVARP-XJKSGUPXSA-N 322.409 -0.370 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)C(C)(C)C(N)=O)CC[C@H]1C 1132120415 RHQOGGYQMALOGI-NEPJUHHUSA-N 322.409 -0.784 30 20 DBED C=CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)c1ccc(O)nn1 1133610512 GQNDXCUHNVKIFO-WDEREUQCSA-N 321.381 -0.029 30 20 DBED Cc1n[nH]cc1C(=O)N[C@H](C)C[C@H](C)NCC(=O)NCC#N 1135156256 DYLQGLZWNDQIIT-VHSXEESVSA-N 306.370 -0.156 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)CCn1cccc1 1135737034 YPIUCIRGDGCNDU-UHFFFAOYSA-N 321.381 -0.404 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1nc2nccc(C)n2n1 1149858325 FUKOAXRQEVPGES-UHFFFAOYSA-N 317.353 -0.946 30 20 DBED C#CCN(CC)[C@H](C)CNC(=O)[C@@H]1Cc2cncn2C(=O)N1 1154431814 WVEHBSJWJUMMGD-YPMHNXCESA-N 303.366 -0.175 30 20 DBED C=CCNC(=O)CN(CC)[C@H](C)CNC(=O)C(=O)NCC1CC1 1156051406 JFOFBMMOWISMJZ-GFCCVEGCSA-N 324.425 -0.359 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)NCCCNC(=O)C#CC1CC1 1157710509 CGYQVNIKKLSBNT-LBPRGKRZSA-N 320.393 -0.104 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCCNCC(=O)NCC=C 1160192162 ZIIMENFLYKXZNP-AWEZNQCLSA-N 306.410 -0.518 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1cc(OCC)n[nH]1 1160710236 ARQHHJICTUPGOL-UHFFFAOYSA-N 307.354 -0.733 30 20 DBED CC(C)n1cnc(C(=O)NCCCNCC(=O)NCC#N)c1 1163267586 AAJUGXXHCNVRPI-UHFFFAOYSA-N 306.370 -0.187 30 20 DBED CN1C(=O)CN(CC(=O)NCCC2(CNCC#N)CC2)C1=O 1167720453 WOVKQCOXMDHGDR-UHFFFAOYSA-N 307.354 -0.720 30 20 DBED N#CCNC(=O)CN1CCO[C@@H]2CCN(C(=O)C(F)F)C[C@@H]21 1176869911 CIYCIGUYAWCWCD-VHSXEESVSA-N 316.308 -0.807 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CCCOC2)[C@H]1C 1178302123 GCNUKMHBYVVMJW-IHRRRGAJSA-N 307.394 -0.259 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CCCOC2)[C@H]1C 1178302125 GCNUKMHBYVVMJW-MJBXVCDLSA-N 307.394 -0.259 30 20 DBED N#CCNC(=O)CNCCCCCCNC(=O)C1(C(N)=O)CC1 1179431089 XCEKEGSOLOPVRE-UHFFFAOYSA-N 323.397 -0.842 30 20 DBED C[C@@H](N[C@@H]1CCN(C(=O)CSCC#N)C1)c1nnnn1C 1181106366 BXSDMCHZLLXPLR-NXEZZACHSA-N 309.399 -0.282 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)CCOCC#C)C1 1182522516 LMKWPSBKYFYSHM-UONOGXRCSA-N 305.378 -0.645 30 20 DBED C=CCCN[C@@H]1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)C1 1183040817 XFJHWAMCTCNDDQ-GFCCVEGCSA-N 306.366 -0.686 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2OCCO[C@H]2C)C1 1183361360 RAYWNZXJMGUOJZ-SCRDCRAPSA-N 311.382 -0.717 30 20 DBED Cc1ncccc1C(=O)N1CC[C@@H](NCC(=O)NCC#N)C1 1185238859 VGWDBVAKSSEKDN-GFCCVEGCSA-N 301.350 -0.166 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2conc2C)C1 1185353597 MXZWIJMGYKVWDE-VXGBXAGGSA-N 304.350 -0.075 30 20 DBED CCCn1cc(C(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)cn1 1185976829 GQFOJYMTMZETDI-CYBMUJFWSA-N 318.381 -0.263 30 20 DBED COCC#CCN1C[C@@H]2CCN(C(=O)Cc3n[nH]c(C)n3)[C@@H]2C1 1187827310 DVEGKHNWWJMAMT-UONOGXRCSA-N 317.393 -0.162 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CN(Cc2noc(C3CC3)n2)C[C@H]1O 1191881171 HHSICLPETPRZAO-JMJZKYOTSA-N 305.338 -0.232 30 20 DBED C#CCCCCC(=O)N[C@@H]1CN([C@@H](C)C(=O)N(C)C)C[C@H]1O 1192329423 YVDIPYJJJQMWOW-BFHYXJOUSA-N 309.410 -0.182 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(CC(=O)N[C@@H](C)C(C)C)C[C@H]1O 1192751688 GKETUFMLEFBXOC-RRFJBIMHSA-N 323.437 -0.032 30 20 DBED CN(CC(=O)NCC#N)[C@H]1CCN(C(=O)C2(C)CCOCC2)C1 1192868411 WONUFUJTYGHQHE-ZDUSSCGKSA-N 322.409 -0.024 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2cncc(F)c2)C[C@H]1O 1192886089 LQULXLKSRGJMPJ-HUUCEWRRSA-N 321.352 -0.078 30 20 DBED C=CCNC(=O)[C@H](C)N(C)[C@H]1CCN(C(=O)Cc2nc[nH]n2)C1 1193374552 WGHAGVFNKGGXLG-RYUDHWBXSA-N 320.397 -0.429 30 20 DBED CCc1nc[nH]c1C(=O)N1CC[C@H](N(C)CC(=O)NCC#N)C1 1193777555 NNJYUJUPUVADSE-NSHDSACASA-N 318.381 -0.242 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)CCCC=C)C1 1195724844 DWKPZHUHMJMENN-MGPQQGTHSA-N 307.394 -0.358 30 20 DBED N#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@]23CCCC[C@H]2C3)C1 1196003490 DRWIXSGRLGGYAK-VLXAULBPSA-N 320.393 -0.632 30 20 DBED CCC[C@H](OC)C(=O)N1CCCN(CC(=O)NCC#N)CC1 1196731825 IKSPMCKTMLKCSH-ZDUSSCGKSA-N 310.398 -0.024 30 20 DBED COC[C@@H](O)CNC1CCN(C(=O)CSCC#N)CC1 1199388011 RKBHEFDUAVDCCN-LBPRGKRZSA-N 301.412 -0.169 30 20 DBED C=C(C)CNC[C@H]1CN(C(=O)CN2CC(=O)NC2=O)CCCO1 1201648988 NCEXYHBUHAKCLJ-LBPRGKRZSA-N 324.381 -0.679 30 20 DBED C#CCCNC[C@H]1CN(C(=O)c2cc(C(N)=O)c[nH]2)CCCO1 1201720130 OHYCQXKPBOJSTQ-ZDUSSCGKSA-N 318.377 -0.042 30 20 DBED C#CCNC[C@@H]1CN(C(=O)CCCn2cncn2)CCCO1 1201801595 ZBHRUYFYPZFQIK-CQSZACIVSA-N 305.382 -0.101 30 20 DBED C=CCCNC[C@@H]1CN(C(=O)C[C@H]2CC(=O)NC2=O)CCCO1 1202252496 YYCHJWYZEVBTFL-CHWSQXEVSA-N 323.393 -0.178 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)C2CCOCC2)CC1 1204238829 LDUJSRRFECNFHD-UHFFFAOYSA-N 321.421 -0.009 30 20 DBED CNC(=O)CC(=O)N1C[C@H]2CC[C@H]1[C@H](NCC#CCOC)C2 1204257233 XVJGJDMNHPDBNZ-MJBXVCDLSA-N 307.394 -0.259 30 20 DBED C#CCNC(=O)CC(=O)N1CCC(CNCCOCC)CC1 1205056782 RJJJXDAYECPAMH-UHFFFAOYSA-N 309.410 -0.009 30 20 DBED COc1cc(C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@H]2C)on1 1206886055 QLEHJEUHHDBAEY-NXEZZACHSA-N 321.337 -0.627 30 20 DBED COCC#CCN1C[C@@H](NC(=O)C2CN(C(C)=O)C2)[C@H](C)C1 1206899449 KAQZNZYWTIQHID-IUODEOHRSA-N 307.394 -0.449 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)C[C@](C)(O)C=C)[C@H](C)C1 1206915519 BFASIGDVVOXWCZ-XJKCOSOUSA-N 307.394 -0.501 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)CSCC#N)C1 1207410753 WGCIJCZWHFQOTB-LBPRGKRZSA-N 308.407 -0.427 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)c2cncn2C)[C@H](C)C1 1207874673 UUYJQFAAWAHBEF-JHJVBQTASA-N 317.393 -0.392 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCN(C(=O)c2ccsn2)C1 1208397266 QJRIZRMRDWNDJT-SNVBAGLBSA-N 307.379 -0.023 30 20 DBED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)C1(CF)CC1 1213425941 NIOKSFXWDJLTQR-GHMZBOCLSA-N 312.345 -0.809 30 20 DBED C=CCCCN1C[C@@H](NC(=O)CN2C(=O)CCC2=O)[C@H](OC)C1 1213827319 KQPUBLJXDDBZJP-CHWSQXEVSA-N 323.393 -0.083 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)C2(COC)CC2)C[C@H]1C 1215148214 ASJDNWBARKCEFU-HZSPNIEDSA-N 321.421 -0.013 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CN(CC)CC)C[C@H]1C 1216001987 NEZYXSZBZZZVLV-RBSFLKMASA-N 322.453 -0.097 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(Cc2cnsn2)C[C@@H]1O 1219527274 LBWOQPSRGCRNSW-MDZLAQPJSA-N 312.395 -0.474 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)C#CC2CC2)C1 1219596452 VXWMJNIAZDCCMI-YUTCNCBUSA-N 305.378 -0.748 30 20 DBED C=C(C)C[C@@H](C)C(=O)N[C@@H]1CN(CCOCCO)C[C@@H]1O 1220201625 WHECRAFLUIUBIC-MCIONIFRSA-N 300.399 -0.241 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)CN2CC[C@H](C)C2)C1 1220355380 NURTWGWCNYEZRB-ZNMIVQPWSA-N 311.426 -0.308 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2nccn2C)C[C@@H]1O 1221140762 BOVSMRIGTDWLHX-XQQFMLRXSA-N 308.382 -0.328 30 20 DBED N#CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3nccs3)[C@@H]2C1 1221886936 VKQBWMDWEOCAND-GHMZBOCLSA-N 319.390 -0.071 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)C[C@@](C)(O)C=C)CC1 1223027088 HETPJDZYBFJAMD-KRWDZBQOSA-N 321.421 -0.109 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1CCN([C@@H](C)C(=O)NC)CC1 1223182408 DGRQRADQVBICBI-STQMWFEESA-N 309.410 -0.013 30 20 DBED C[C@H]1C[C@@H](C(=O)NC2CCN(CC(=O)NCC#N)CC2)CO1 1228065568 RFUYLIWXXYOFIB-NWDGAFQWSA-N 308.382 -0.368 30 20 DBED COCC#CCN1CCC(NC(=O)c2cnc(O)n2C)CC1 1228588963 MENZJNQMEDFNGA-UHFFFAOYSA-N 306.366 -0.030 30 20 DBED CCn1nccc1C(=O)N(C)C[C@@H]1CCN1CC(=O)NCC#N 1233855791 BGADLDCHJMYWBH-LBPRGKRZSA-N 318.381 -0.311 30 20 DBED CCS(=O)(=O)N[C@@H](C)C(=O)N(C)C[C@@H]1CCN1CC#N 1234447568 WXBUIESFOQGSQC-QWRGUYRKSA-N 302.400 -0.630 30 20 DBED Cc1noc([C@H](C)N(C)C(=O)C(=O)N2CCO[C@H](C#N)C2)n1 1261557372 CZPINPVZSYWKPT-WCBMZHEXSA-N 307.310 -0.352 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)NCC1(N)CCCC1 1261634123 ZAKOTIVOWUMLSM-UHFFFAOYSA-N 317.411 -0.909 30 20 DBED C=C(C)COCCNC(=O)C(=O)N(C)C[C@@H]1COCCO1 1261712137 LPDDGZMFQIABGP-GFCCVEGCSA-N 300.355 -0.431 30 20 DBED C[C@@H]1CN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)[C@H](C)CO1 1261850122 ZVIVOQNWRANRIM-BZPMIXESSA-N 320.393 -0.179 30 20 DBED CC#CCN1CCC[C@@H](NC(=O)CN(C)S(=O)(=O)CC)C1 1317950570 ZIQIUXWOJUAJAH-CYBMUJFWSA-N 315.439 -0.128 30 20 DBED C=CCn1cnnc1S(=O)(=O)CCCS(=O)(=O)N(C)C 1319042025 RADYCJDNWFBMMN-UHFFFAOYSA-N 322.412 -0.481 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)NCCNc1ncccc1C#N 1321742366 TTZVDRCDSFDMOS-GFCCVEGCSA-N 317.349 -0.201 30 20 DBED C#C[C@H](NC(=O)C(=O)NCc1nnc2n1CCC2)[C@H]1CCCO1 1322971273 PZOZVFGETBHPIH-WDEREUQCSA-N 317.349 -0.863 30 20 DBED CC(=O)c1cccc(NC(=O)C(=O)NCC(=O)NCC#N)c1 1323360650 VXPWZSJPOLIHRY-UHFFFAOYSA-N 302.290 -0.416 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@@H]1CC=CCC1 1323750339 YFJCNPMFPALAEZ-LLVKDONJSA-N 300.380 -0.072 30 20 DBED CNC(=O)[C@H](CC(C)C)NC(=O)C(=O)Nc1cnn(CC#N)c1 1324373059 DBDAXRDEPWGBJB-NSHDSACASA-N 320.353 -0.378 30 20 DBED CN1CCN(C(=O)C(=O)N2CCC[C@@](C)(C#N)C2)[C@H](CN)C1 1325756258 SHHNPXRMFWJOOZ-DOMZBBRYSA-N 307.398 -0.760 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@@H]1CCS[C@@H]1C 1326438455 OICKRTNGAVPWKA-NXEZZACHSA-N 320.436 -0.286 30 20 DBED COCCCN(CCO)C(=O)C(=O)N1CCC[C@H](CC#N)C1 1327714160 JUZSBCZSZXGIIK-CYBMUJFWSA-N 311.382 -0.004 30 20 DBED C=CCOCCNC(=O)C(=O)N1CCC2(CC1)COC(=O)N2 1330145908 OJDNCUGAFAXXPB-UHFFFAOYSA-N 311.338 -0.594 30 20 DBED C#CCNCC(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1 1340874291 YXGDJADQBCXAMO-UHFFFAOYSA-N 300.362 -0.343 30 20 DBED CC[C@H](CN1CCOCC1)Nc1[nH]c(=O)n(C)c(=O)c1C#N 1363747690 DDOOZRRZJOZKCL-SNVBAGLBSA-N 307.354 -0.532 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@@]1(C)CCC(=O)N1 1365711915 JMIHEZNBDCTMEK-CMPLNLGQSA-N 302.400 -0.029 30 20 DBED CN(C[C@H](O)CNC(=O)c1ccc(C#N)[nH]1)C(=O)c1cn[nH]c1 1382933076 UEPYCSANSIVGIZ-LLVKDONJSA-N 316.321 -0.528 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H]1CNC(=O)C1(NC(N)=O)CC1 1387353237 PDODQVZMQGHBBH-ZJUUUORDSA-N 307.354 -0.546 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)CN2CCCNC2=O)CC1 1389952081 DZMNCMIMXXPUOM-JTQLQIEISA-N 307.354 -0.674 30 20 DBED CCCN(C)CCC(=O)N[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1O 1406279665 USGWGPVGASEIGQ-JHJVBQTASA-N 310.398 -0.434 30 20 DBED C[C@@H](CNCc1cc(C#N)ccc1F)NC(=O)Cn1cnnn1 1406452553 WHVKRMRVZPDRHO-JTQLQIEISA-N 317.328 -0.022 30 20 DBED COC(=O)C1(NC(=O)CCn2cc(C#N)c(O)nc2=O)CC1 1417683888 STQSKYKZVAQCSN-UHFFFAOYSA-N 306.278 -0.968 30 20 DBED Cc1nc(CC(=O)N(CCNC(=O)[C@H](C)C#N)C2CC2)n[nH]1 1431907104 AFTVXNBQXWVCMX-SECBINFHSA-N 304.354 -0.078 30 20 DBED N#Cc1ncn(CCNC(=O)C[C@H]2CCCS(=O)(=O)C2)n1 1433473368 RCBFLFCERMUKRY-SNVBAGLBSA-N 311.367 -0.519 30 20 DBED C[S@@](=O)C1(CNC(=O)CCn2cc(C#N)c(O)nc2=O)CC1 1433936218 JSYIJMJKRKEXLP-JOCHJYFZSA-N 324.362 -0.762 30 20 DBED C[C@H](C(=O)N1CCC(c2nn[nH]n2)CC1)n1cnc(C#N)n1 1434298041 CESCCOGPXBGNDH-MRVPVSSYSA-N 301.314 -0.370 30 20 DBED C[C@@H](C#N)C(=O)NCCN1CCN(CC(=O)N(C)C2CC2)CC1 1436697583 DANIILYOXFQRND-ZDUSSCGKSA-N 321.425 -0.499 30 20 DBED C[C@H](O)[C@H]1CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)C1 1446736663 SCSNJNFWOCCNRY-UWVGGRQHSA-N 306.322 -0.560 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CCN(C(=O)CCCn2cncn2)C1 1447378565 DDJCGJMOGQSIHM-NEPJUHHUSA-N 304.354 -0.065 30 20 DBED C[C@H](CCNC(=O)CCn1cnccc1=O)NC(=O)[C@H](C)C#N 1455098075 QTTKKNXIUDMRJI-VXGBXAGGSA-N 319.365 -0.196 30 20 DBED CCC(=O)NCC(=O)NCCN(C)C(=O)c1ccc(C#N)[nH]1 1455181396 NPHHJEIUZVNWNA-UHFFFAOYSA-N 305.338 -0.399 30 20 DBED C[C@H](C#N)C(=O)NC1CN(C(=O)CCn2ccccc2=O)C1 1456397287 RJPUQOMVHBFODX-LLVKDONJSA-N 302.334 -0.275 30 20 DBED N#Cc1cn(CC(=O)N2CCc3ncsc3C2)c(=O)nc1O 1466970442 JOVHXKHHPNZSMS-UHFFFAOYSA-N 317.330 -0.138 30 20 DBED CCOCC(C)(C)CNC(=O)Cn1cc(C#N)c(O)nc1=O 1468606921 BKXJIWUKLBMQGK-UHFFFAOYSA-N 308.338 -0.001 30 20 DBED C=C(Cl)CNCC1(O)CCN(C(=O)[C@H]2CCC(=O)N2)CC1 1484949709 LBEWHSPFJKHYHA-LLVKDONJSA-N 315.801 -0.039 30 20 DBED CC[C@H](CNC(=O)CCNS(C)(=O)=O)NC(=O)[C@H](C)C#N 1531245810 ATHVVAOSWNBXBY-NXEZZACHSA-N 318.399 -0.904 30 20 DBED C[C@@H](CCNC(=O)Cc1cscn1)NCC(=O)NCC#N 1570468582 WIYPWEWGUHBSFX-JTQLQIEISA-N 309.395 -0.190 30 20 DBED CC(C)N1C[C@H](Nc2cnc(-c3nn[nH]n3)c(C#N)n2)CC1=O 1574287126 YZBCLUKEYPWZJX-MRVPVSSYSA-N 313.325 -0.050 30 20 DBED COC(=O)c1cnc(CNC(=O)N[C@H]2CNC[C@H]2C#N)s1 1578882437 IHISIGCLJFSUPM-SFYZADRCSA-N 309.351 -0.160 30 20 DBED N#C[C@H]1CNCCN1S(=O)(=O)c1ccc2c(c1)OCC(=O)N2 1580044931 MJMDXHKHLNJXKM-VIFPVBQESA-N 322.346 -0.496 30 20 DBED C#CC[C@H](NC(=O)[C@@H](C)N1C(=O)NC2(CCCC2)C1=O)C(=O)O 1588399643 WGZGBMBAGMOAFZ-ZJUUUORDSA-N 321.333 -0.168 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)N(CCC(=O)OC)CC(=O)O 1588442993 WUQKKSGEIUAZFH-LLVKDONJSA-N 314.338 -0.066 30 20 DBED C=CCCn1cc(C(=O)NS(=O)(=O)CCC(=O)O)nn1 1588817205 DRUIOQRFUFCNHF-UHFFFAOYSA-N 302.312 -0.612 30 20 DBED CCN(C[C@@H](C)C#N)C(=O)Cn1cnc(-c2nn[nH]n2)cc1=O 1590682096 AXMXFXJWAJGZHB-VIFPVBQESA-N 316.325 -0.568 30 20 DBED Cc1nn(Cc2ncc(-c3nn[nH]n3)cn2)c(=O)c(C#N)c1C 1592438136 SDTIRDFKSZNODA-UHFFFAOYSA-N 309.293 -0.250 30 20 DBED CN(CC(C)(C)CNCC(=O)NCC#N)C(=O)[C@H]1C[C@H]1C(=O)O 1598423555 HTYYQMSTZAXZED-WDEREUQCSA-N 324.381 -0.579 30 20 DBED COC(=O)[C@H](CC(=O)O)NS(=O)(=O)c1ccc(C#N)o1 1598694912 NTYMMHRUCOQTGI-ZETCQYMHSA-N 302.264 -0.554 30 20 DBED N#C[C@@]12CN(c3ncc(C(=O)O)cn3)C[C@H]1CS(=O)(=O)C2 1601079203 HGGZTOXVWXJGGP-CABZTGNLSA-N 308.319 -0.451 30 20 DBED N#Cc1cccc(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)O)n1 1601114573 DVWCPYUVJWIPPU-SNVBAGLBSA-N 309.303 -0.723 30 20 DBED N#Cc1nc(C(=O)O)ccc1N1CCCN(CC(N)=O)CC1 1601133116 JSURWEPHZLOEET-UHFFFAOYSA-N 303.322 -0.351 30 20 DBED N#CC1(C(=O)OCCc2cn(CC(=O)O)nn2)CCOCC1 1608175803 IHBSCXZTWCBWHD-UHFFFAOYSA-N 308.294 -0.231 30 20 DBED N#Cc1ncn(CC(=O)NCc2nc(-c3ccccn3)n[nH]2)n1 1627588262 JYRZNUBFBNTQFE-UHFFFAOYSA-N 309.293 -0.354 30 20 DBED COC[C@@]1(CO)CCN(S(=O)(=O)N(C)C[C@H](C)C#N)C1 1645929040 WIFIZWVQAXNKQY-NEPJUHHUSA-N 305.400 -0.347 30 20 DBED CCn1c([C@@H]2SCCNC2=O)nnc1N1CCO[C@@H](C#N)C1 1647719599 ZEKKTBXJVFURJQ-UWVGGRQHSA-N 322.394 -0.069 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@@H](CNC(=O)CCCOC)C1 1753120959 VFBGSVBTLOZOOO-KGLIPLIRSA-N 309.410 -0.011 30 20 DBED C=CCN(CC=C)C(=O)CN1CC(NC(=O)[C@H]2COC(=O)N2)C1 1753375691 RDVZQVQREIUOBA-GFCCVEGCSA-N 322.365 -0.904 30 20 DBED C[C@@H](CNCC(=O)NCC#N)CNC(=O)c1ccccc1O 1753605345 CATYLQQBTQZGNH-NSHDSACASA-N 304.350 -0.013 30 20 DBED N#CCNC(=O)CNC[C@H](O)CNC(=O)C[C@H]1C=CCCC1 1753914686 LAKJFTGYBQWAHM-STQMWFEESA-N 308.382 -0.561 30 20 DBED C=C(C)CCNC[C@H](O)CNC(=O)c1ccnc2[nH]nnc12 1753919565 YUQFSYGSQUOPCD-JTQLQIEISA-N 304.354 -0.001 30 20 DBED C[C@H](CNCC(=O)NCC#N)NC(=O)C[C@@H](C)c1cnn(C)c1 1754236085 ZTTQHBDDMBJRDF-VXGBXAGGSA-N 320.397 -0.352 30 20 DBED C=CCCn1cc(C(=O)N[C@@H](C)CN[C@@H](C)C(=O)NC)nn1 1754287061 LSUMLJNQBSKMOV-QWRGUYRKSA-N 308.386 -0.303 30 20 DBED C#CCNC(=O)CN1CC(N(C)C(=O)[C@H](C)OCC(C)C)C1 1754571271 SYIPJISXLGUZCM-ZDUSSCGKSA-N 309.410 -0.061 30 20 DBED C#CCNC(=O)[C@H](C)N1CC(N(C)C(=O)CCc2ccon2)C1 1754578041 RPOYFYKXCPFXBY-LBPRGKRZSA-N 318.377 -0.112 30 20 DBED Cc1c(C(=O)NC[C@@]2(O)CCN(CC#N)C2)nnn1C(C)C 1754759063 CNJYBHAVXXNITN-AWEZNQCLSA-N 306.370 -0.142 30 20 DBED C#CCCN1CCC[C@@](CO)(NC(=O)c2cc(C(N)=O)c[nH]2)C1 1754858831 JWIUGFJPXYMKNI-MRXNPFEDSA-N 318.377 -0.306 30 20 DBED C#CCNC(=O)CNCC[C@H]1CCN(C(=O)c2cn(C)cn2)C1 1754909925 DZVQOCSDBXFZHP-ZDUSSCGKSA-N 317.393 -0.389 30 20 DBED C=CCCC(=O)NC[C@@H](CO)NC[C@@H]1CCS(=O)(=O)C1 1755622195 CTNFVRAZIJZMAW-RYUDHWBXSA-N 304.412 -0.546 30 20 DBED C#CCCCC(=O)NC[C@H]1[C@@H]2CN(C(=O)c3nnn(C)n3)C[C@H]12 1756198709 GCFAZPSQVOPLCF-CNDDSTCGSA-N 316.365 -0.552 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1[C@H]2CN(C(=O)CNC(C)=O)C[C@H]12 1756199889 KKQAVJVICPRAFI-IOASZLSFSA-N 323.393 -0.730 30 20 DBED O=C(C#CC1CC1)NCCCOCCNC(=O)[C@@H]1COCCO1 1756393364 CZBCWQGUCSAFIA-AWEZNQCLSA-N 324.377 -0.546 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](CO)CNC(=O)C1=CCOCC1 1756514255 VNDQHTUBNNETAU-MJBXVCDLSA-N 324.377 -0.483 30 20 DBED C=C[C@H](CC)CC(=O)NC[C@@H](CO)NC(=O)c1nnn(C)c1C 1756544402 ZZLHVPGYZMUKRJ-NEPJUHHUSA-N 323.397 -0.067 30 20 DBED C=C[C@@](C)(O)CC(=O)N1C[C@@H](O)[C@H](NC(=O)C2=COCCC2)C1 1756984363 RFQNTLWLJRSTQG-XJKCOSOUSA-N 324.377 -0.304 30 20 DBED C=C(C)C[C@H](C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2nc[nH]n2)C1 1757023623 BUNKLSPSUAPKGI-HBNTYKKESA-N 307.354 -0.292 30 20 DBED O=C(Cn1ncnn1)NC[C@H]1C[C@@H](NC(=O)C#CC2CC2)C1 1757318648 BJMRNESBDJSAIE-TXEJJXNPSA-N 302.338 -0.903 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H]1CCN(C(=O)C(N)=O)CC(C)(C)C1 1757551637 AFMHFTNDGWNERG-NEPJUHHUSA-N 323.393 -0.357 30 20 DBED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3C[C@H]3F)C2)C1 1781089597 LJWQEDCZEKXJGE-RWSFTLGLSA-N 324.308 -0.738 30 20 DBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc[nH]3)C2)C1 1839806427 BDTANFNFEVSCDR-OAHLLOKOSA-N 318.333 -0.887 30 20 DBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCO3)C2)C1 1839810652 KKAJRBBBOVWBPV-BBRMVZONSA-N 322.361 -0.745 30 20 DBED C[C@H](S)C(=O)N1CCCC12CN(C(=O)Cn1cnnn1)C2 1846367562 BGKFLHXBCLVTQU-VIFPVBQESA-N 310.383 -0.805 30 20 DBED CC(C)NC(=O)CN1CCN(CCC(=O)N(C)CCC#N)CC1 92793561 GMZLOWACBBYGNT-UHFFFAOYSA-N 323.441 -0.109 30 20 DBED C/N=C(/NCC(=O)N(C)C)N[C@@H]1CCC[C@H](C(=O)N(C)C)C1 262264025 FLMAKOMWKMIYGY-NWDGAFQWSA-N 311.430 -0.113 30 20 DBED N#Cc1ccc(NC(=O)N2CCN3C(=O)C(=O)NC[C@@H]3C2)cc1 268578870 NOGSSPMBYODFSB-GFCCVEGCSA-N 313.317 -0.267 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@](C)(O)C2)C1=O 271080771 GBNLNHQTCSFQFU-AWEZNQCLSA-N 309.322 -0.663 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(C)(OC)CC2)C1=O 271691156 QIXSPSOZWRCDQI-UHFFFAOYSA-N 323.349 -0.009 30 20 DBED COC(=O)[C@@H](NC(=O)C#Cc1ccc2c(c1)OCO2)[C@H](C)O 274413918 CJDISCXBJGNCDV-XPTSAGLGSA-N 305.286 -0.195 30 20 DBED C#CCNC(=O)c1ccc(N2CCN(C[C@H](C)O)CC2)nc1 275046009 RKYIUQJRCFFVMG-ZDUSSCGKSA-N 302.378 -0.053 30 20 DBED C#CCOc1ccc(F)cc1NC(=O)C(=O)N1C[C@@H](O)[C@H](O)C1 277515006 LEFZRWCHGHFFTL-VXGBXAGGSA-N 322.292 -0.660 30 20 DBED C#CCn1ccc(CN(CC)C(=O)CN(C)C(=O)COC)n1 279192098 UISXEEYOEADEMF-UHFFFAOYSA-N 306.366 -0.030 30 20 DBED C#CCO[C@H](C)C(=O)NCCCn1nc2n(c1=O)CCCC2 294405820 JNZUIYXEYXNVPQ-GFCCVEGCSA-N 306.366 -0.074 30 20 DBED CCn1cc(C#N)c(=O)n(C[C@H]2CCCS(=O)(=O)C2)c1=O 328862813 ZTSJHLGGPGZINR-SNVBAGLBSA-N 311.363 -0.274 30 20 DBED CC/N=C(/O)N1CCN(CC(=O)N[C@@H](C)C(=O)N(C)C)CC1 330707931 VCWMOQDOTIFHBX-NSHDSACASA-N 313.402 -0.869 30 20 DBED C[C@H](N/C(O)=N/CCNS(=O)(=O)N(C)C)[C@@H]1CCCO1 331251412 ZWWJCMAKURMAIL-UWVGGRQHSA-N 308.404 -0.547 30 20 DBED C[C@H](CN1CCCC1=O)NS(=O)(=O)N1CCO[C@H](C#N)C1 336926948 XOXZKIPKGPFBQG-GHMZBOCLSA-N 316.383 -0.944 30 20 DBED CNC(=O)N[C@H]1CCN(S(=O)(=O)N(C)C[C@H](C)C#N)C1 336946073 NZNLDTOAWJCOPV-ZJUUUORDSA-N 303.388 -0.674 30 20 DBED C[C@H](O)C[C@H]1CCCN1S(=O)(=O)N1CCO[C@H](C#N)C1 336955349 YITBMIIFXGKUFF-QJPTWQEYSA-N 303.384 -0.309 30 20 DBED C=CCN1CC[C@H](N2CCC(CS(N)(=O)=O)CC2)C1=O 337194655 WITYQWBJYYKBJZ-LBPRGKRZSA-N 301.412 -0.226 30 20 DBED CN1CCN(CC(=O)NCCc2cccc(C#N)c2)CC1=O 340087439 ZSYJZJDCJQBXLM-UHFFFAOYSA-N 300.362 -0.009 30 20 DBED N#CCN(CC#N)C(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 346774936 IQMVNIJCTMFLIJ-WFFHOREQSA-N 316.317 -0.585 30 20 DBED COC(=O)CN(CC#N)S(=O)(=O)c1ccc(C(=O)OC)o1 351666437 BJMFXGHLBYWEDQ-UHFFFAOYSA-N 316.291 -0.247 30 20 DBED C=CCCn1cc(C(=O)NCCNC(=O)c2cnccn2)nn1 424636793 DPQMBLPCLLSFIN-UHFFFAOYSA-N 315.337 -0.196 30 20 DBED CN(C(=O)C(=O)N1CCc2ccc(C#N)cc21)[C@H]1CCNC1=O 433654480 RMBILFCLWKUCMK-LBPRGKRZSA-N 312.329 -0.206 30 20 DBED CC(C)C[C@H](CO)NC(=O)C(=O)Nc1ccn(CCC#N)n1 444516443 CZYISNAHMNCKNF-LLVKDONJSA-N 307.354 0.258 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N1CC[C@@H]2NC(=O)OC[C@H]2C1 495646366 HOIIYKFVQNMRCM-MXWKQRLJSA-N 316.383 -0.247 30 20 DBED CN(CCNC(=O)NCC(=O)NCC#N)C(=O)OC(C)(C)C 496210835 ARFSVICMJVWMIN-UHFFFAOYSA-N 313.358 -0.208 30 20 DBED CCN(CC#N)C(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C 520113066 SBZCDWCDNUKWBN-UHFFFAOYSA-N 303.322 -0.439 30 20 DBED N#CC1(CNC(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)CC1 562436958 MODSKPAXPUXTHA-AAXDQBDMSA-N 317.345 -0.041 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N[C@H]1CCCN(CCCO)C1 568262771 XJCPPJAPAQPHHF-OLZOCXBDSA-N 318.443 -0.098 30 20 DBED C[C@@H](CO)CNC(=O)CNS(=O)(=O)c1cccc(C#N)c1 589453297 QOMJWZJEZKFWNZ-SNVBAGLBSA-N 311.363 -0.419 30 20 DBED CCS(=O)(=O)NCCNC(=O)Nc1nn(C)cc1C#N 610564399 QGLYGCSCRZFJKJ-UHFFFAOYSA-N 300.344 -0.647 30 20 DBED CN(CCC#N)S(=O)(=O)N1CCN([C@H]2CCC[C@H]2O)CC1 611540602 FKTPWOUFKHMUQU-QWHCGFSZSA-N 316.427 -0.392 30 20 DBED C=C(Br)CNC(=O)Cn1cc(S(N)(=O)=O)cn1 748567809 QLFJPYLGOKCCDZ-UHFFFAOYSA-N 323.172 -0.445 30 20 DBED Cc1nc(S(=O)(=O)NCC(=O)OCC2(C#N)CC2)cn1C 775853913 JLCHJGZZNLBIOA-UHFFFAOYSA-N 312.351 -0.146 30 20 DBED CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)Cn1ncn(C)c1=O 781265201 AUCMSYRZHMXXDC-HZMBPMFUSA-N 323.353 -0.432 30 20 DBED C#CCOCCNC(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O 784419503 JSWWXQPCGWDZBG-GFCCVEGCSA-N 319.365 -0.136 30 20 DBED C#CCOCCNC(=O)N1CCN(CC(=O)N[C@H](C)CC)CC1 784546043 UEDUTIADCDNXBS-CQSZACIVSA-N 324.425 -0.122 30 20 DBED N#Cc1ncn(CCNC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)n1 805075447 XSVGOTRLWSKXNZ-NEPJUHHUSA-N 319.369 -0.688 30 20 DBED N#Cc1cnn(C(=O)CNS(=O)(=O)c2cccnc2)c1N 810204085 YIFHHGZONBRBHR-UHFFFAOYSA-N 306.307 -0.649 30 20 DBED CC(C)CCC=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 814883772 ZYLRIWHJRHYJEV-UHFFFAOYSA-N 316.383 -0.216 30 20 DBED O=C(CN1C(=O)c2ccccc2C1=O)N[C@H]1CCCN(O)C1=O 816757390 RGBGEEPVRYTDDT-NSHDSACASA-N 317.301 -0.221 30 20 DBED Cc1cc(NC(=O)C(=O)N2CC[C@@H](C(=O)O)C2)n(CCC#N)n1 820986394 PSACEXTZBXGPRW-SNVBAGLBSA-N 319.321 -0.023 30 20 DBED C#CCCN1CCC(NC(=O)Cn2cc(C(=O)O)nn2)CC1 825605391 BMSNHRPEWLULNP-UHFFFAOYSA-N 305.338 -0.420 30 20 DBED COC(=O)CNC(=O)CNC(=O)Cc1ccccc1CC#N 848009465 FEBLGWWLGNCADP-UHFFFAOYSA-N 303.318 -0.299 30 20 DBED CN1C(=O)CN(CC(=O)OCCNc2ncccc2C#N)C1=O 860524468 IKGLGOXBTCJJMP-UHFFFAOYSA-N 317.305 -0.198 30 20 DBED N#C[C@H]1CN(S(=O)(=O)CCn2cccn2)CCN1C1CC1 866776068 CRNFVCJTBRENJK-ZDUSSCGKSA-N 309.395 -0.115 30 20 DBED CCO[C@H]1CCN(C(=O)C(=O)N2CCN(CCC#N)CC2)C1 910768023 WJDGQOPNLKRNHD-ZDUSSCGKSA-N 308.382 -0.318 30 20 DBED C#CC1(O)CN(C[C@@H](O)COc2ccc(C(=O)OC)cc2)C1 934442901 GAGRYUCTPGGASN-CYBMUJFWSA-N 305.330 -0.107 30 20 DBED C#CCCN1CC[C@H](NC(=O)CN2CCOCC2=O)C[C@H]1C 947394580 GGLMRLIPZVPAKE-KGLIPLIRSA-N 307.394 -0.162 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@@H]2CNC(=O)[C@H]2CCC(=O)N2)c1 949116709 UEIZBOIIPVATCZ-GHMZBOCLSA-N 315.333 -0.504 30 20 DBED N#Cc1cc(C(=O)N2CC[C@@H]2CNC(=O)[C@H]2CCNC2=O)c[nH]1 951459868 NKPZMBRXXKKWNV-NEPJUHHUSA-N 315.333 -0.647 30 20 DBED C#Cc1ccccc1CC(=O)N1CCC[C@H](NC(=O)C(N)=O)C1 951510537 NUBDSMMQUMHCQA-AWEZNQCLSA-N 313.357 -0.197 30 20 DBED CCN1CCOC[C@@H]1C(=O)N(C)C1CN(C(=O)[C@H](C)C#N)C1 954683637 MJTFRLUEYXNWKU-DGCLKSJQSA-N 308.382 -0.464 30 20 DBED C#CCN1C[C@H](CNC(=O)c2ccn(CCOC)n2)[C@@H](O)C1 958254420 PCFSEKABRJVLQT-JSGCOSHPSA-N 306.366 -0.815 30 20 DBED C=CCN1C[C@@H](O)[C@@H](CNC(=O)c2ccc(C(=O)NC)nc2)C1 958597325 CSGIOMPZWFOAEM-GXTWGEPZSA-N 318.377 -0.350 30 20 DBED CN1CCC[C@H]1C(=O)N(C)[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 958739148 IEGAPOTYXIDVHR-KKUMJFAQSA-N 319.405 -0.476 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)c1cnsn1 964115731 YMOXYQWAGJXPEG-RKDXNWHRSA-N 309.351 -0.345 30 20 DBED C[C@H](C#N)C(=O)N1CCOC2(CN(C(=O)c3cocn3)C2)C1 965474140 QNUXJRKOEHPBHI-SNVBAGLBSA-N 304.306 -0.112 30 20 DBED C#CCN1CCC(C(=O)N[C@H]2CN(C(=O)COC)C[C@H]2C)CC1 966083002 RFXGEFCNWIJRJA-HIFRSBDPSA-N 321.421 -0.059 30 20 DBED CC#CCN1CC[C@H](C)[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)C1 968628399 XYHXVFCGWPACHV-STQMWFEESA-N 320.393 -0.270 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)c2c[nH]nc2C2CC2)C1 970274701 GALBGGSLNUPTSM-FXAINCCUSA-N 317.349 -0.252 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)C(=O)N3CC[C@H](C)C3)C2)C1 972632462 SMUMOZMVZOBDRL-WMLDXEAASA-N 319.405 -0.209 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2[C@@H]3CN(C(=O)CC(N)=O)C[C@@H]32)cc1 976927759 BFQONGNFTBBFTP-VIKVFOODSA-N 311.341 -0.270 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](NC(=O)Cn2cnnc2O)[C@H]1C 987654110 OCDCNJIVUMMSQM-BBBLOLIVSA-N 306.326 -0.751 30 20 DBED N#Cc1c[nH]c(C(=O)NC2CC(CNC(=O)c3nc[nH]n3)C2)c1 992299837 AVNKTTLOCRMLAA-UHFFFAOYSA-N 313.321 -0.057 30 20 DBED C=CCCN1CCC[C@@H](NC(=O)CN2CCNC(=O)C2)[C@@H]1C 993706708 XTMOEUFOJWILRC-UONOGXRCSA-N 308.426 -0.037 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H](NCCN2C(=O)CCC2=O)C1 998744261 ALSBNURXZBQCRX-RYUDHWBXSA-N 306.366 -0.124 30 20 DBED Cn1cnc(C(=O)N2CC(CNC(=O)c3c[nH]c(C#N)c3)C2)n1 1001505406 DSUGMOFQOZKRAW-UHFFFAOYSA-N 313.321 -0.483 30 20 DBED C[C@H](C#N)C(=O)N1CC([C@@H](C)NC(=O)C2CS(=O)(=O)C2)C1 1006144996 PJMBHCIOQPTRAG-RKDXNWHRSA-N 313.379 -0.846 30 20 DBED N#Cc1ccc(CN2CC[C@H](NC(=O)Cn3cnnn3)C2)s1 1010109929 SWALROSUHLVRIW-JTQLQIEISA-N 317.378 -0.003 30 20 DBED N#Cc1ccc(C(=O)N2CCCC3(CN(C(=O)C(N)=O)C3)C2)[nH]1 1010819981 HBMCJCGREGGSGS-UHFFFAOYSA-N 315.333 -0.564 30 20 DBED C=CCn1cc(C(=O)N2C[C@@H](NC(=O)C(N)=O)CC[C@@H]2C)nn1 1018377590 DLMNIFRKUXRRQG-UWVGGRQHSA-N 320.353 -0.941 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H](N[C@@H]3CCCNC3=O)C2)nn1 1019482068 FHWPOMOXPBEIAW-NWDGAFQWSA-N 318.381 -0.453 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CN(C(=O)C3(CF)CC3)C[C@H]2O)c1 1023333859 IWJIUMLLBZXNTJ-VXGBXAGGSA-N 320.324 -0.062 30 20 DBED N#CCN1CCC[C@H](CNC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 1023502524 FBXFDJAKFVNPLE-YPMHNXCESA-N 316.365 -0.283 30 20 DBED CCOc1cc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2O)on1 1024706884 RVKCFUKIDRBJTI-OPRDCNLKSA-N 322.321 -0.466 30 20 DBED C#CCN[C@@H]1CC[C@H]2CN(C(=O)c3cn(C)c(=O)cn3)C[C@H]21 1026318565 YIXUXOVVQIFNCU-YNEHKIRRSA-N 300.362 -0.146 30 20 DBED Cn1nnnc1CN1CC[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 1028489176 VJZFNBIVKWAPDO-SNVBAGLBSA-N 314.353 -0.338 30 20 DBED CC#CCN1CC[C@@H](CNC(=O)c2cn(CCOC)nn2)C1 1028533467 WIBOJGGCGKZHHN-ZDUSSCGKSA-N 305.382 -0.001 30 20 DBED C#CCN1CCC2(CCN(C(=O)CN3CCNC(=O)C3)CC2)C1 1035212995 BNHWPZWFCNPUNY-UHFFFAOYSA-N 318.421 -0.634 30 20 DBED C=CCn1cccc1C(=O)NC[C@H]1CN([C@H](C)C(N)=O)CCO1 1035401930 OPRFRPXZQURTAE-OLZOCXBDSA-N 320.393 -0.022 30 20 DBED C#CCCN1CCO[C@@H](CNC(=O)c2ccnn2CCOC)C1 1035407101 HDDLRDCIOKLCKB-AWEZNQCLSA-N 320.393 -0.017 30 20 DBED C=CCN1CCO[C@H](CNC(=O)[C@@H]2CCCCN2C(N)=O)C1 1035571774 JGVZUPUEDHPKCU-OLZOCXBDSA-N 310.398 -0.077 30 20 DBED C#CCCN1CC2(CCN(C(=O)Cn3c(O)nnc3O)CC2)C1 1035843998 JWUUXINGNQHQGN-UHFFFAOYSA-N 319.365 -0.363 30 20 DBED CC[C@@H]1CN(C(=O)CN2CC(=O)N(C)C2=O)CC[C@H]1NCC#N 1037969297 WLVNNJWBFVQEFH-VXGBXAGGSA-N 321.381 -0.379 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@]1(O)CCN(C(=O)C#CC2CC2)C1 1039579755 KBZFMAGYBAGKKX-IAGOWNOFSA-N 320.389 -0.194 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@]1(O)CCN(C(=O)c2ncc[nH]2)C1 1039580594 WZHPNIAXZKHYEB-GJZGRUSLSA-N 322.365 -0.570 30 20 DBED O=C(NC[C@@]1(O)CCN(C(=O)C#CC2CC2)C1)[C@H]1CCCO1 1040104180 KYPONGTUKVZGHF-CJNGLKHVSA-N 306.362 -0.342 30 20 DBED C[C@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)c2cc[n+]([O-])cc2)C1 1040762360 HNXITCQEGUVSIL-ABAIWWIYSA-N 318.333 -0.827 30 20 DBED Cc1ocnc1C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1O 1040928664 RKBJNNZCFDKLAE-GHMZBOCLSA-N 314.305 -0.376 30 20 DBED C=CCN1CC[C@]2(CCN(C(=O)CN3C(=O)CN(C)C3=O)C2)C1 1041819245 CTDIBRJRSBNRLK-INIZCTEOSA-N 320.393 -0.009 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H]3CCN(CCO)[C@H]3C2)nn1 1042262867 PZVDIPVMNCFRJS-OCCSQVGLSA-N 305.382 -0.007 30 20 DBED C=CCN1CC[C@H]2CCN(C(=O)Cn3c(O)nnc3O)C[C@H]21 1042327395 WTYYSTSMRCHJIH-WDEREUQCSA-N 307.354 -0.202 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)C[C@](C)(O)C2CC2)C1 1042627735 PAVMBUFWZUKYOA-YGRLFVJLSA-N 309.366 -0.613 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)[C@@H](OC)C2CC2)C1 1043032720 GXVZEAXCYGFDJR-AWEZNQCLSA-N 324.377 -0.859 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)Cc2cscn2)C1 1043093118 VDAOAOKDRLZWAY-SECBINFHSA-N 308.363 -0.465 30 20 DBED CC(C)(C)C#CC(=O)N1CC(O)(CNC(=O)C(C)(C)C(N)=O)C1 1043467636 QXOZGUVNXHZJBF-UHFFFAOYSA-N 323.393 -0.763 30 20 DBED C=CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)[C@H](C)OC)C1 1043570214 GRXOMKJCXPMZAX-MNOVXSKESA-N 300.355 -0.698 30 20 DBED COc1cc(C(=O)NCC2(O)CN(C(=O)[C@@H](C)C#N)C2)ccn1 1043799978 DFVIMHKZOQIDND-JTQLQIEISA-N 318.333 -0.447 30 20 DBED Cc1nnccc1C(=O)NCC1(O)CN(C(=O)[C@@H](C)C#N)C1 1044148627 IEHXLCQIIJNFTG-VIFPVBQESA-N 303.322 -0.752 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1045545936 FAJJQCWJSVLFRO-FQIARQCESA-N 319.361 -0.741 30 20 DBED C#CCN1C[C@H]2C[C@H](NC(=O)CN3CC(=O)NC3=O)C[C@H]1C2 1047162645 QJRPEJCJQCKIAJ-SDDRHHMPSA-N 304.350 -0.860 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@@H](N(C)C(=O)Cc2n[nH]c(C)n2)C1 1047374959 VVHGLGORIYUPGW-QWRGUYRKSA-N 313.789 -0.088 30 20 DBED C#CCCCCC(=O)N(C)[C@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1O 1048712061 KMLTUICTZCHOIW-RYUDHWBXSA-N 319.365 -0.358 30 20 DBED C=C[C@](C)(O)CC(=O)N(C)[C@H]1CN(C(=O)C(C)(F)F)C[C@@H]1O 1048740412 BXIRLXQCJHTJDK-KWBADKCTSA-N 320.336 -0.001 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cnco2)C1 1049121325 JOQGTWVXZLPIEZ-SRVKXCTJSA-N 321.333 -0.643 30 20 DBED C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCS(=O)(=O)N1 1049901210 XPFHJSUTXIRJQT-YNEHKIRRSA-N 313.423 -0.071 30 20 DBED C=CCOCC(=O)N1CC[C@@H]([C@H](C)NC(=O)c2cnn[nH]2)C1 1050303014 GGZQWPYJVMEAFN-WDEREUQCSA-N 307.354 -0.026 30 20 DBED C[C@@H](NC(=O)CNC(N)=O)[C@H]1CCN(C(=O)C#CC2CC2)C1 1050666964 UNVKDHRYYARGIL-PWSUYJOCSA-N 306.366 -0.579 30 20 DBED N#CCN1CCOC[C@@H]1CNC(=O)c1c[nH]nc1[C@H]1CCOC1 1051046836 VKEVREMRJWDQDW-RYUDHWBXSA-N 319.365 -0.132 30 20 DBED N#Cc1nccc(N2CC[C@H](NC(=O)c3cnon3)[C@@H](O)C2)n1 1051720300 XXKCXCDERFDQEL-WPRPVWTQSA-N 315.293 -0.899 30 20 DBED C[C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1CNC(=O)C#CC(C)(C)C 1051933589 GLVBPSAKRLUDPI-VXGBXAGGSA-N 322.409 -0.085 30 20 DBED CC#CCN1CC2(CC[C@@H](CNC(=O)[C@@H]3CCNC(=O)C3)O2)C1 1053590649 NAKPTMVMZJXABD-KGLIPLIRSA-N 319.405 -0.115 30 20 DBED C=CCN1CC2(CC[C@@H](CNC(=O)c3ccc(=O)n(C)n3)O2)C1 1053696422 IIVIHHYSYKTFLN-LBPRGKRZSA-N 318.377 -0.071 30 20 DBED C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1NCc1nc(O)n[nH]1 1054568990 FPWBXVPBCYJKSS-KCJUWKMLSA-N 315.337 -0.040 30 20 DBED C=C(C)[C@H](CC(=O)N1C[C@H]2CN(C(=O)C(N)=O)C[C@H]2C1)OCC 1055364527 ZGKCDXLTFGXCGC-XQQFMLRXSA-N 323.393 -0.240 30 20 DBED CO[C@@H](C)C(=O)NCCN1CCC(NC(=O)[C@@H](C)C#N)CC1 1055534247 FCBAAGBDZLXDGH-RYUDHWBXSA-N 310.398 -0.122 30 20 DBED Cc1cc(C(=O)N[C@]2(CO)CCCN(C(=O)[C@@H](C)C#N)C2)n[nH]1 1055803546 CZWLUVQXRWUQQC-ZUZCIYMTSA-N 319.365 -0.039 30 20 DBED N#Cc1ccc(N2CCN(C(=O)c3cncnc3O)CC2)nn1 1055936346 ZGIISHBYFPOQNC-UHFFFAOYSA-N 311.305 -0.194 30 20 DBED Cn1cnc(C(=O)NC2[C@@H]3CN(c4cnc(C#N)cn4)C[C@@H]23)n1 1056200211 CCWDHKOMCUXTFY-NXEZZACHSA-N 310.321 -0.659 30 20 DBED N#Cc1cnc(N2C[C@H]3[C@H](NC(=O)c4cnnc(O)c4)[C@H]3C2)cn1 1056332912 BACDRTFAIFFRJO-YABSGUDNSA-N 323.316 -0.292 30 20 DBED N#Cc1ccc(N[C@@H]2CCN(C(=O)[C@H]3CNC(=O)N3)C2)nn1 1056764429 VKRYPZWWHLMZKJ-NXEZZACHSA-N 301.310 -0.958 30 20 DBED C#CCO[C@H](C)C(=O)NCCN(CCO)C(=O)CSC 1056902704 QTERDFGBTFPNTJ-LLVKDONJSA-N 302.396 -0.675 30 20 DBED N#Cc1cnc(N2CCCN(C(=O)[C@H]3COC(=O)N3)CC2)cn1 1057132397 IHQWRYOUGWWDQL-LLVKDONJSA-N 316.321 -0.505 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)[C@H](C)CC(N)=O 1057444981 BIVQVDNULQDQRQ-GFCCVEGCSA-N 311.382 -0.762 30 20 DBED C#CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)[C@H](CC)OC 1057582966 DFYNXNQKSOEWFI-STQMWFEESA-N 314.382 -0.613 30 20 DBED C=CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)c1cocn1 1057921752 OPHKEPNSPJDBNM-NSHDSACASA-N 311.338 -0.184 30 20 DBED C=CC(C)(C)C(=O)N(CCO)CCNC(=O)COCCOC 1058302448 UAYNAICGWUOQGZ-UHFFFAOYSA-N 316.398 -0.201 30 20 DBED Cn1cc(C(=O)N[C@H]2CCN(c3ccc(C#N)nn3)C2)nc1O 1058533190 WOEOFDCEVTYKIJ-JTQLQIEISA-N 313.321 -0.204 30 20 DBED Cc1nc(CC(=O)N[C@H]2C[C@@H](N=c3cc[nH]c(C#N)n3)C2)n[nH]1 1059632231 YSCNKQAQOHQKDY-AOOOYVTPSA-N 312.337 -0.502 30 20 DBED O=C(C#CC1CC1)NCC[C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 1060259257 WFUIAWFJJDHMIX-STQMWFEESA-N 318.377 -0.564 30 20 DBED N#Cc1ccc(NC[C@H]2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)nn1 1060991735 JZMALRXYEBEGEZ-JLLWLGSASA-N 314.349 -0.270 30 20 DBED N#Cc1ccc(N2CCC[C@@H]2CNC(=O)[C@H]2CCNC2=O)nn1 1061422462 IYOUNIRDNSXCGL-NEPJUHHUSA-N 314.349 -0.431 30 20 DBED N#Cc1cncc(N2CC[C@@H](CNC(=O)[C@@H]3COC(=O)N3)C2)n1 1061593343 WZPLYQALQOXONJ-ONGXEEELSA-N 316.321 -0.601 30 20 DBED CCCC(=O)NCC(=O)N1CCOC[C@H]1CNC(=O)[C@@H](C)C#N 1061846647 PNCPGWFWGLQTHB-NWDGAFQWSA-N 324.381 -0.594 30 20 DBED N#Cc1cnc(N2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2COC(=O)N2)cn1 1062480923 DIGHPTCEGPETRA-DCAQKATOSA-N 314.305 -0.754 30 20 DBED C#CCO[C@H](C)C(=O)NC1(CNC(=O)CCNC(N)=O)CCC1 1063003991 TVPKHUUHTQIMIG-LLVKDONJSA-N 324.381 -0.762 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)CC(=O)NC)CCO1 1065078703 QDROFWCPDKYYQB-LBPRGKRZSA-N 309.366 -0.730 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](CNC(=O)c3cn[nH]c3)C2)cn1 1067652820 YZVMYXBARRMTLO-BXUZGUMPSA-N 312.333 -0.097 30 20 DBED C=CCCC(=O)N[C@H]1COC2(C1)CN(C(=O)CC(=O)N(C)C)C2 1068753010 KTTJFQSMJMBJTK-GFCCVEGCSA-N 323.393 -0.083 30 20 DBED CC(=O)NCC(=O)N1CCC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 1070369157 LEINLMNNIPOAQH-GFCCVEGCSA-N 317.349 -0.257 30 20 DBED C=CCCC(=O)N[C@@H]1CCCN(C(=O)CN2CCNC(=O)C2)C1 1071065921 LAPVOQRVJVFSEA-CYBMUJFWSA-N 322.409 -0.508 30 20 DBED CC(C)C#CC(=O)N1C[C@H](C)[C@@H](NC(=O)Cn2ncnn2)C1 1072049993 XNTYPWJHELWWCK-RYUDHWBXSA-N 304.354 -0.704 30 20 DBED C=CCO[C@@H](C)C(=O)NC1(C)CCN(C(=O)CC(N)=O)CC1 1072917059 FHJBTMOUPQBVQJ-NSHDSACASA-N 311.382 -0.050 30 20 DBED C=CCCO[C@@H](C)C(=O)NC1(C)CCN(C(=O)C(N)=O)CC1 1073227883 CHPSYOSEBDKXLA-NSHDSACASA-N 311.382 -0.050 30 20 DBED C[C@H]1CN(C(=O)c2nnn(C)n2)CC[C@H]1NC(=O)C#CC1CC1 1073955493 WRGWFEZZUONQEA-CMPLNLGQSA-N 316.365 -0.410 30 20 DBED Cc1nnc(CC(=O)N2CC[C@@H]3OCCN(CC#N)[C@H]3C2)o1 1074233841 XLZQVDLQWPFMQS-RYUDHWBXSA-N 305.338 -0.254 30 20 DBED CC(C)C#CC(=O)N[C@@H](C)CCNC(=O)Cn1cnnc1O 1076225864 FFWMAGXNBMKGHC-NSHDSACASA-N 307.354 -0.346 30 20 DBED N#CCN1C[C@@H]2CCN(C(=O)[C@H]3CCCS(=O)(=O)C3)[C@@H]2C1 1076312022 LIMVLVSNJQPSCL-RWMBFGLXSA-N 311.407 -0.133 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@]2(C)CCCS2(=O)=O)C1 1077824315 XHVHANHLJNNYIO-BZPMIXESSA-N 314.407 -0.862 30 20 DBED C#CCNC(=O)CC(=O)NC1(CO)CCN(C(=O)CCC)CC1 1080824243 DKHFEKBFHOOOOC-UHFFFAOYSA-N 323.393 -0.604 30 20 DBED N#CCSCC(=O)NC[C@H]1CN(C(=O)C(F)F)C[C@H]1O 1081286704 OJXSXFFBDWICDT-JGVFFNPUSA-N 307.322 -0.556 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)Cn2cccn2)C[C@H]1O 1081332375 FGCGDHDGZNRUAA-QWHCGFSZSA-N 306.366 -0.215 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2ccnnc2)C[C@@H]1O 1081347065 QGNZTEDSBQRMSZ-STQMWFEESA-N 320.349 -0.772 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)Cc2cc[nH]n2)C[C@@H]1O 1081464076 VIFWIHBHMXDTHE-OCCSQVGLSA-N 318.377 -0.453 30 20 DBED Cn1ccc(C(=O)N2C[C@@H](O)[C@H](CNC(=O)C#CC3CC3)C2)c1 1081472361 XPDAVBCJEXNATG-HUUCEWRRSA-N 315.373 -0.012 30 20 DBED C=CCOCC(=O)NC[C@@H]1CCCCN1C(=O)Cn1cncn1 1082304945 ANLVEESIXDLUOM-ZDUSSCGKSA-N 321.381 -0.022 30 20 DBED C#CCN1CCC(C(=O)N2C[C@@H](N[C@@H](C)C(N)=O)[C@H](C)C2)CC1 1082941145 SHZMDCJWQVLDQA-VNHYZAJKSA-N 320.437 -0.358 30 20 DBED C#Cc1cncc(C(=O)N2CCO[C@@H]3CN(CC(N)=O)C[C@@H]32)c1 1083188450 VYZPIRUOAPTCPH-UONOGXRCSA-N 314.345 -0.927 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCc3cnc(C)n3C2)C1 1083734298 YTEGRMKOIWLSLT-BMFZPTHFSA-N 316.405 -0.061 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CN(C/C=C/Cl)C[C@@H]2O)nn1 1083842878 HTMDMFRGXBBCPO-YGEYTSGZSA-N 311.773 -0.009 30 20 DBED CC#CCN1CC[C@@H]2CN(C(=O)c3cn(C)c(=O)nc3O)[C@@H]2C1 1084828024 JAQWWJWOFRNICJ-DGCLKSJQSA-N 316.361 -0.345 30 20 DBED C#CCN1CC[C@@H]2CCN(C(=O)[C@@H]3COCCN3C(C)=O)C[C@@H]21 1085097405 FZMXUPQKEWMGFS-PMPSAXMXSA-N 319.405 -0.210 30 20 DBED CC#CCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCN(C)S1(=O)=O 1085868481 QPEGTGJOWFGJAF-OLZOCXBDSA-N 313.423 -0.424 30 20 DBED C#CCN1CC[C@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)[C@H]1CC 1087748371 DUZWOVNORNJEED-WDEREUQCSA-N 320.349 -0.991 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CCN(Cc3nnn(C)n3)C[C@H]2C1 1087910883 CHZWKOFXSOPGKB-TUAOUCFPSA-N 303.370 -0.350 30 20 DBED C[C@@H](C[C@H](C)Nc1ccc(C#N)nn1)NC(=O)Cn1ncnn1 1089401780 ZAPIKSOCJUUZBI-UWVGGRQHSA-N 315.341 -0.270 30 20 DBED N#Cc1cnccc1N1CCCO[C@H](CNC(=O)C(N)=O)C1 1089556803 MAXJNISQNZMSPH-LLVKDONJSA-N 303.322 -0.850 30 20 DBED N#CCN1C[C@@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)Cn2cncn2)C1 1089903144 PYGTUYLTXGUNCM-FQUUOJAGSA-N 300.366 -0.030 30 20 DBED CO[C@@H](C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1O)C1CC1 1090413519 SESAKJHFWYNMKY-YRGRVCCFSA-N 317.349 -0.561 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2cncc(C(N)=O)c2)[C@H](O)C1 1090819526 CGWAZGCMHMKCHF-UONOGXRCSA-N 316.361 -0.631 30 20 DBED CNC(=O)NCC(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@H]1C 1090838020 FJWWEMPDKXNPQW-ZYHUDNBSSA-N 316.365 -0.177 30 20 DBED C[C@H](CC(N)=O)C(=O)NCC1CC(N=c2cc[nH]c(C#N)n2)C1 1092250176 MBNIEBBFYRBPOO-KPPDAEKUSA-N 316.365 -0.412 30 20 DBED C=CCCOCC(=O)NCCNc1ncnc2c1nnn2C 1093691673 DEGUFSJWVDUIDW-UHFFFAOYSA-N 305.342 -0.121 30 20 DBED N#Cc1nc(=NCCNC(=O)[C@@H]2CCc3cncn3C2)cc[nH]1 1093957794 LEGZJEAUQPQRFF-LLVKDONJSA-N 311.349 -0.243 30 20 DBED N#CCN1CC[C@@]2(CNC(=O)[C@H]3CC[C@@H](C(N)=O)O3)CCC[C@@H]12 1094512680 STBGJVKDUAFVPQ-VPWBDBDCSA-N 320.393 -0.096 30 20 DBED C=CCN1CCN(C(=O)c2[nH]cnc2C)[C@@H]2CS(=O)(=O)C[C@@H]21 1094686223 MBUPBDBMVAEALN-NWDGAFQWSA-N 324.406 -0.172 30 20 DBED CNC(=O)CC(=O)N1CCC[C@@H](Nc2ccc(C#N)nn2)C1 1095289313 XCACCBBRNCAVHT-LLVKDONJSA-N 302.338 -0.113 30 20 DBED COC(=O)NCC(=O)N[C@H]1CCN(c2cnc(C#N)cn2)C1 1096324032 DXOZTYJJVXEUOV-VIFPVBQESA-N 304.310 -0.601 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cc(=O)n2[nH]cnc2n1 1096338882 PFZQRTVRKXEYNZ-SCVCMEIPSA-N 312.333 -0.614 30 20 DBED N#Cc1nccnc1N[C@H](CNC(=O)[C@@H]1CNC(=O)N1)C1CC1 1096800915 QJOJRUQQJDAVIY-MNOVXSKESA-N 315.337 -0.664 30 20 DBED N#Cc1nccnc1N[C@H]1C[C@@H](NC(=O)C(=O)NCC(F)F)C1 1097228775 ACLQZSMEPKBAGX-OCAPTIKFSA-N 324.291 -0.211 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCCNC1=O)Nc1cncc(C#N)n1 1098121187 VVMCAUSDQOXYER-ONGXEEELSA-N 302.338 -0.209 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCC(=O)NC1)Nc1nccnc1C#N 1098398185 YSAODORZJOIVST-UWVGGRQHSA-N 302.338 -0.209 30 20 DBED C[C@H](CCNC(=O)Cn1cncn1)N=c1cc[nH]c(C#N)n1 1099147262 NLKBZUOOORAUHA-SNVBAGLBSA-N 300.326 -0.631 30 20 DBED COCC#CCN1C[C@H]2[C@@H]3CC[C@@H](CN3C(=O)CC(N)=O)[C@H]2C1 1099431645 RCFWXNAYRAIBSU-YJNKXOJESA-N 319.405 -0.320 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2ccccn2)[C@@H](O)C1 1099617983 MVFBDMUBXGMPHV-ZFWWWQNUSA-N 303.362 -0.104 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)CCC2CCC2)[C@@H](O)C1 1099776472 SNRADBRVPBTICM-CABCVRRESA-N 321.421 -0.133 30 20 DBED N#CCN1CC[C@@H](NC(=O)CNC(=O)C2CCCC2)[C@@H](O)C1 1099847449 MYLMODSJOCMMEW-OLZOCXBDSA-N 308.382 -0.632 30 20 DBED Cc1cc(C)n(CCC(=O)N[C@@H]2CCN(CC#N)C[C@H]2O)n1 1099939836 MSMYUZOISNBACA-ZIAGYGMSSA-N 305.382 -0.035 30 20 DBED C=C(Cl)CN1CC[C@@H](NC(=O)CCCC(N)=O)[C@H](O)C1 1100143192 PIVZMSFQFZAVCL-GHMZBOCLSA-N 303.790 -0.054 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)c2c(C)cnn2C)C1 1100577980 BKEPFMZNWMBTGE-UHFFFAOYSA-N 317.393 -0.424 30 20 DBED N#Cc1nccc(N2CCC[C@@H]2CNC(=O)C2(C(N)=O)CC2)n1 1100902924 XIHTXWJAHAMAHR-SNVBAGLBSA-N 314.349 -0.301 30 20 DBED C=CCN1C[C@@H]2CN(C(=O)CCNS(C)(=O)=O)C[C@]2(C)C1 1101256312 PKUUMJSCHYSCNC-OCCSQVGLSA-N 315.439 -0.108 30 20 DBED CC(=O)N[C@@H](C)C(=O)NCCN(c1nccnc1C#N)C1CC1 1101273945 HSYMSXITKBCRIJ-JTQLQIEISA-N 316.365 -0.042 30 20 DBED CN(C)CCOCC(=O)N(C)CCNc1nccnc1C#N 1101693835 DJGYPHUUWLTNAV-UHFFFAOYSA-N 306.370 -0.203 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)COCC2CC2)C1 1101758276 JMFKGRBFEGLYER-UKRRQHHQSA-N 321.421 -0.154 30 20 DBED CN1C[C@@H](C(=O)N(C)CCNc2nccnc2C#N)NC1=O 1101903148 RRBDVOFTLSOPGK-JTQLQIEISA-N 303.326 -0.758 30 20 DBED CC[C@@H](CNC(=O)Cn1cnnn1)Nc1ccc(C#N)nc1 1102968351 BNZGCBYOPCUTLA-JTQLQIEISA-N 300.326 -0.053 30 20 DBED C[C@H](CNC(=O)c1ncn(C)n1)CNc1nccnc1C#N 1103929419 YETSKCYCWLSWDO-VIFPVBQESA-N 300.326 -0.045 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)Cc1cncn1C 1104022916 NZPQPGJLESSXQN-LLVKDONJSA-N 313.365 -0.089 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)[C@@H]1CCNC1=O 1104764106 OMDIYDYNKLTEND-VHSXEESVSA-N 302.338 -0.835 30 20 DBED C=CCNCc1cn(C2CN(C(=O)[C@@H](COC)OC)C2)nn1 1105323695 GHDPHXDDTWSARF-CYBMUJFWSA-N 309.370 -0.402 30 20 DBED Cc1cc(=NC[C@@H](O)CNC(=O)Cn2cccn2)c(C#N)c[nH]1 1105722124 KADWUWSSDDKQCE-CYBMUJFWSA-N 314.349 -0.531 30 20 DBED N#Cc1nccnc1NC[C@@H](O)CNC(=O)Cc1cncnc1 1105805547 CQNQKOPYRFONSZ-NSHDSACASA-N 313.321 -0.730 30 20 DBED Cc1cc(C#N)nc(NC[C@H](O)CNC(=O)c2nonc2C)n1 1105884228 DAHVSZRVVOXREU-SNVBAGLBSA-N 317.309 -0.449 30 20 DBED CCOCCNC(=O)CNC[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1C 1105946034 JMEYMFGVJYJWJM-MGPQQGTHSA-N 324.425 -0.017 30 20 DBED Cc1conc1C(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1 1105954916 ISDCHMYWFYFSCK-SECBINFHSA-N 302.294 -0.731 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)Cn2nccn2)cn1 1105985573 ORSIAZQFIAKLAV-GFCCVEGCSA-N 301.310 -0.866 30 20 DBED CC[C@@H](NC(C)=O)C(=O)NC[C@@H](O)CNc1ncccc1C#N 1106124120 WYPMRVZHQNJQDG-QWHCGFSZSA-N 319.365 -0.243 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)[C@@H](C)NC(=O)COC)C[C@H]1C 1106167939 SPHBLKJCGQKPOU-MGPQQGTHSA-N 309.410 -0.155 30 20 DBED C=CCNC[C@@H]1CN(C(=O)CN2CCCS2(=O)=O)C[C@H]1C 1106211068 POCWBOIUZQUBAM-CHWSQXEVSA-N 315.439 -0.108 30 20 DBED CO[C@H]1C[C@H](C(=O)N2C[C@@H](C)[C@H](CNCC#N)C2)N(C(C)=O)C1 1106480661 CXCSANYHMZPIFT-REBRKWNGSA-N 322.409 -0.170 30 20 DBED C[C@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)[C@@]1(C)CNC(=O)C1 1106511854 ATWURQUHQDEZIL-MEBBXXQBSA-N 316.365 -0.397 30 20 DBED C=CCn1cc(C(=O)N2C[C@@H](C)[C@H](CN[C@H](C)C(N)=O)C2)nn1 1106743793 UGOOJGTUXAMQLK-IJLUTSLNSA-N 320.397 -0.364 30 20 DBED C#CCN1CC(n2cc(CNC(=O)C[C@H]3CCOC3)nn2)C1 1107150510 PAFSPAXDYRWKBE-GFCCVEGCSA-N 303.366 -0.189 30 20 DBED C=CCNC(=O)CN1CCO[C@](C)(CNC(=O)c2cc[nH]n2)C1 1107759282 QONRYAFIMZBBBO-OAHLLOKOSA-N 321.381 -0.467 30 20 DBED CC#CCN1CCO[C@](C)(CNC(=O)[C@@H]2CC(=O)N(C)C2)C1 1107983324 ISFZPVZTQRAYBK-CZUORRHYSA-N 307.394 -0.305 30 20 DBED CC(=O)N1CCC[C@@H](C(=O)NC[C@@]2(C)CN(CC#N)CCO2)C1 1108060045 URXIUNUSNGWQKZ-ZBFHGGJFSA-N 322.409 -0.024 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)CCn3ccnc3)CC2=O)C1 1108559410 UYLXBEIBONKVJL-CYBMUJFWSA-N 317.393 -0.140 30 20 DBED C=C[C@@H](CC)CC(=O)N[C@@H]1CC(=O)N(C2CN(CC(N)=O)C2)C1 1108566842 OVHGCEOLDQQMOP-NWDGAFQWSA-N 322.409 -0.525 30 20 DBED COCCOCC(=O)N[C@@H](C)CN(C)c1ccnc(C#N)n1 1108882331 ORBYEXRVRVWRQJ-NSHDSACASA-N 307.354 -0.048 30 20 DBED C#CCNC(=O)CC(=O)NCC1(Nc2cc(C)ncn2)CC1 1110105826 PWVSHADDHJEZRE-UHFFFAOYSA-N 301.350 -0.015 30 20 DBED N#Cc1cnc(NCCN(CCO)C(=O)c2cn[nH]c2)cn1 1111444128 NKFUCIITUHGCMV-UHFFFAOYSA-N 301.310 -0.382 30 20 DBED C[C@H]1CN(C(=O)CNC(N)=O)C[C@H]1Nc1ccc(C#N)cn1 1112307482 ZLFZMNIJTRCRNE-GXSJLCMTSA-N 302.338 -0.120 30 20 DBED CCc1nc(C#N)cc(N2C[C@@H](O)[C@@H](CNC(=O)COC)C2)n1 1112693105 XATVONUVFHJXFQ-CMPLNLGQSA-N 319.365 -0.530 30 20 DBED CC(C)(O)CC(=O)NC[C@H]1CN(c2ccc(C#N)nn2)C[C@H]1O 1112717101 DVWBWQFAUFSBOR-CMPLNLGQSA-N 319.365 -0.577 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1112720331 ILPIUQMETKGLOB-OLZOCXBDSA-N 313.361 -0.079 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)c2cc(C3CC3)[nH]n2)CC1 1113371150 MSXVKCYBEWSVGA-UHFFFAOYSA-N 316.365 -0.315 30 20 DBED C#Cc1ccc(C(=O)N2CCN(CCOCCO)CC2)cn1 1113557696 JXAADANYQNGMIY-UHFFFAOYSA-N 303.362 -0.170 30 20 DBED C[C@@H](CNC(=O)[C@@H]1COCCN1C)N(C)c1cncc(C#N)n1 1113561067 RRTIRZUUNIMNNP-AAEUAGOBSA-N 318.381 -0.380 30 20 DBED C[C@H](NC(N)=O)C(=O)NC[C@H](C)N(C)c1cncc(C#N)n1 1113578212 URCRYSFXZRWDJO-IUCAKERBSA-N 305.342 -0.654 30 20 DBED C[C@H]1CC[C@H](C)N1CC(=O)N1CCN(CC(=O)NCC#N)CC1 1113672416 RPFSPWYDVPASKS-KBPBESRZSA-N 321.425 -0.357 30 20 DBED Cc1ncsc1C(=O)NC1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]12 1113912912 CYPNLXJTVPAQJP-NXEZZACHSA-N 319.390 -0.249 30 20 DBED Cc1cc(C(=O)NC2[C@H]3CN(CC(=O)NCC#N)C[C@H]23)n(C)n1 1113942415 OCTCEXPQALSXQC-QWRGUYRKSA-N 316.365 -0.972 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)[C@@H](C)n3cccc3)[C@@H]2C1 1114143405 NZAVTCWKRJVHSI-MGPQQGTHSA-N 314.389 -0.155 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)C[C@@](C)(O)C=C)[C@@H]2C1 1114192096 PWTHSSBBXBKWRN-HSMVNMDESA-N 307.394 -0.338 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)CCc3ncc[nH]3)[C@@H]2C1 1114206650 NWEDMPGGGJVCGH-VXGBXAGGSA-N 315.377 -0.862 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H]1[C@@H]2CN(CCNC(=O)C3CC3)C[C@@H]21 1114273510 NUVGDNKWGQUWLX-SPWCGHHHSA-N 319.405 -0.403 30 20 DBED C=CCCCN1C[C@H]2[C@H](NC(=O)Cn3ncn(C)c3=O)[C@H]2C1 1114494163 UHSWRAIEKWJKDJ-IMRBUKKESA-N 305.382 -0.406 30 20 DBED CC(=O)NCC(=O)NC[C@H]1[C@@H]2CN(c3ncccc3C#N)C[C@H]12 1114504061 ZUBLYOXGCNPUQN-ZSOGYDGISA-N 313.361 -0.112 30 20 DBED CC[C@@H]1OCC[C@H]1C(=O)NC1[C@H]2CN(CC(=O)NCC#N)C[C@H]12 1114597310 NVVBMLZFGLCTGX-VOAKCMCISA-N 320.393 -0.512 30 20 DBED C[C@H](CCCN=c1cc[nH]c(C#N)n1)NC(=O)[C@H]1COC(=O)N1 1114900090 GWWHBEYIUIGLSY-NXEZZACHSA-N 318.337 -0.425 30 20 DBED CN(CCOCCNC(=O)c1cnn[nH]1)c1ccc(C#N)nc1 1115269184 XVXUQYWQTMSWMT-UHFFFAOYSA-N 315.337 -0.046 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)c3nonc3C)[C@@H]2C1 1115346318 UMMHHSOTTVIKID-HBNTYKKESA-N 317.349 -0.824 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)NCCCCS(N)(=O)=O 1117704709 JUPKARNQQVYQMX-SECBINFHSA-N 312.417 -0.877 30 20 DBED C=CCOCCn1nnnc1N1CCS(=O)(=O)C[C@H](C)C1 1120088243 ICOSKLSTSKVHAT-LLVKDONJSA-N 315.399 -0.253 30 20 DBED N#Cc1c(F)cccc1N[C@H](CO)CNC(=O)[C@H]1COC(=O)N1 1121387109 NCAFGSXBPWJSBL-QPUJVOFHSA-N 322.296 -0.305 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)Cc2ncc[nH]2)cn1 1121977885 WJIAAXQHOJADNA-GFCCVEGCSA-N 300.322 -0.192 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)Cc2cscn2)nn1 1122651789 FQUMLVZIJSAGIQ-NSHDSACASA-N 318.362 -0.064 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)c1ccc(O)nn1 1123104261 JCPLAAGZPIKZMV-UHFFFAOYSA-N 319.365 -0.298 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)c1ccoc1 1123509644 XARCAEMKONFXBT-SNVBAGLBSA-N 308.338 -0.001 30 20 DBED CN(C[C@@H](O)CNc1ccc(C#N)nn1)C(=O)c1cnn(C)c1 1124029778 IMAVNNDCDSPYNI-LBPRGKRZSA-N 315.337 -0.373 30 20 DBED C[C@H](CC(N)=O)C(=O)N(C)C[C@H](O)CNc1cnc(C#N)cn1 1124689122 OKOAZGVTPWQDAM-MWLCHTKSSA-N 320.353 -0.909 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)C1(CF)CC1 1124781246 WDAFKLICUXCWOT-SNVBAGLBSA-N 307.329 -0.249 30 20 DBED C[C@H](C#N)C(=O)NCCN[C@@H]1CCCN(c2ccn(C)n2)C1=O 1124902840 NHFAIYHALWXLGY-VXGBXAGGSA-N 318.381 -0.219 30 20 DBED CN(C[C@H](O)CN(C)c1ccnc(C#N)n1)C(=O)[C@H]1CCOC1 1124995545 STAVGLAMGKXEHX-NWDGAFQWSA-N 319.365 -0.360 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)c1n[nH]cc1C 1126869845 TUSYUKGOOZGPFD-SNVBAGLBSA-N 322.369 -0.562 30 20 DBED CC#CCN1CC[C@H](c2n[nH]cc2CNC(=O)CNC(N)=O)C1 1130342429 JCTJYBHCIBLNNE-NSHDSACASA-N 318.381 -0.493 30 20 DBED N#CCNC(=O)CNCCNC(=O)Cc1cn2ccccc2n1 1130344109 XHLXGPRBLJAWAF-UHFFFAOYSA-N 314.349 -0.778 30 20 DBED C=CCN1C[C@H]2C[C@@H]3CN(C(=O)C[C@H](C)NC(N)=O)C[C@@]3(C1)O2 1131230073 DKMSCNZHAYFPJM-VPWBDBDCSA-N 322.409 -0.079 30 20 DBED C=C(C)C(C)(C)C(=O)NCCNCC(=O)N1CCNC(=O)C1 1132302836 XXPTZSFEDGEXOG-UHFFFAOYSA-N 310.398 -0.747 30 20 DBED C=CCNC[C@H]1CN(C(=O)CNS(=O)(=O)NC)CC[C@H]1C 1133010739 AHOJJXLSZSSORY-NEPJUHHUSA-N 318.443 -0.700 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)Cc1cnoc1 1135265818 FKZYYAKQALJDLR-RYUDHWBXSA-N 306.366 -0.161 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)c1nccc(C)n1 1153052100 IHVQVRYMMNJPCC-CYBMUJFWSA-N 317.393 -0.025 30 20 DBED C#CCCN(CC)[C@H](C)CNC(=O)CCS(=O)(=O)NC 1153320889 UNAVYCFJKFBLPK-GFCCVEGCSA-N 303.428 -0.224 30 20 DBED C#CCNC(=O)CC(=O)NCCC1(CNCC#CCOC)CC1 1164182237 DOZPAGHALXBMDU-UHFFFAOYSA-N 319.405 -0.348 30 20 DBED COCC#CCNCC1(CCNC(=O)[C@@H]2COCCN2C)CC1 1164186119 ILIZTTWQKAIKFC-HNNXBMFYSA-N 323.437 -0.157 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCC[C@@H](C)NC(=O)CC(N)=O 1169901224 QHWURCPIJZDVLE-VXGBXAGGSA-N 312.414 -0.183 30 20 DBED C#CCNC(=O)[C@H](C)NCCCC[C@H](C)NC(=O)CC(N)=O 1169901427 SPUHTUJBSGLXJD-RYUDHWBXSA-N 310.398 -0.736 30 20 DBED COCC#CCNCCCNC(=O)CNC(=O)c1cscn1 1170378518 AJPBZZRJJXCROI-UHFFFAOYSA-N 324.406 -0.381 30 20 DBED C#CCN1CCC(C(=O)NCCCN[C@H]2CCCNC2=O)CC1 1176926441 MPQBQYCEVLCMDO-HNNXBMFYSA-N 320.437 -0.294 30 20 DBED N#CCNC(=O)CNCCCNC(=O)[C@H]1CC12CCOCC2 1177581314 IKADPRXTIBFCNP-GFCCVEGCSA-N 308.382 -0.461 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2cnsn2)[C@H]1C 1178201103 ZPNVDDMRZCRBRW-UWVGGRQHSA-N 307.379 -0.520 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](NCc2nccn2C)[C@@H]1C 1178508366 ALPBKLIWAMZSSJ-STQMWFEESA-N 317.393 -0.361 30 20 DBED C#CCCN[C@H]1CCN(C(=O)[C@H](C)NS(C)(=O)=O)[C@H]1C 1179613565 XNZQVRZDQDHCJC-SRVKXCTJSA-N 301.412 -0.474 30 20 DBED C#CCCNCCCCCCNC(=O)CN1C(=O)CNC1=O 1180223759 HZNVZMYAWXTGOQ-UHFFFAOYSA-N 308.382 -0.172 30 20 DBED C#CCNC[C@@H]1CN(C(=O)[C@@H]2COC(=O)N2)CC12CCOCC2 1186368724 UTEWRTPGNWTSOV-OLZOCXBDSA-N 321.377 -0.427 30 20 DBED Cn1nnc(C(=O)N2C[C@@H](CNCC#N)C3(CCOCC3)C2)n1 1186463886 AZOMMADSWQJDCU-LLVKDONJSA-N 319.369 -0.808 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)CNC(=O)c2ccco2)C1 1187595862 SGUQLRDQGOUJDW-CYBMUJFWSA-N 319.361 -0.150 30 20 DBED C=CCOCCN[C@@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 1187887563 FSORGYBHOVQDRE-VXGBXAGGSA-N 317.411 -0.929 30 20 DBED CC(C)C#CC(=O)N1CC[C@@H](N(C)[C@@H]2CCC(=O)NC2=O)C1 1190054843 UGYONGYLQGUFFF-CHWSQXEVSA-N 305.378 -0.016 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)[C@H]2OCC[C@H]2C)C1 1192417170 RZMDTLCMRSSMHY-IPYPFGDCSA-N 307.394 -0.307 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1O 1192429037 CZYSJIXMLYBWOE-HUUCEWRRSA-N 315.373 -0.665 30 20 DBED C#CCNC(=O)[C@H](C)N1CCCN(C(=O)COCC=C)CC1 1195284164 QEAKDFWVKHWOOP-AWEZNQCLSA-N 307.394 -0.139 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCCN(C[C@@H](O)COC)CC1 1195652851 ZKARAEKSPHOJDI-UKRRQHHQSA-N 300.399 -0.145 30 20 DBED C=CCCCN1C[C@@H](O)[C@H](NC(=O)Cn2nc(C)n(C)c2=O)C1 1198268887 MZTSYKYHYJPAPE-CHWSQXEVSA-N 323.397 -0.982 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)Cc2csc(C)n2)C1 1198444954 QBBPZLHKFUTULM-ZIAGYGMSSA-N 323.418 -0.195 30 20 DBED CCCC(=O)NCC(=O)N1CCC(NCC(=O)NCC#N)CC1 1199586450 VYBXZUNGYOZRJB-UHFFFAOYSA-N 323.397 -0.877 30 20 DBED CCNC(=O)CNC[C@@H]1CN(C(=O)C#CC(C)C)CCCO1 1200461232 GGLNFKWSWKQDAD-CQSZACIVSA-N 309.410 -0.011 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC(N[C@H](C)C(=O)NC(N)=O)CC1 1200506868 ILMUYINLTWNDAG-GHMZBOCLSA-N 324.381 -0.811 30 20 DBED COCC#CCNC1CCN(C(=O)[C@H]2CC(=O)N(C)C2)CC1 1200850723 NUCJJERMGNNVDI-ZDUSSCGKSA-N 307.394 -0.305 30 20 DBED C=C(C)CNC[C@@H]1CN(C(=O)c2nnc(O)nc2O)CCCO1 1200894843 QODNVPXMQGKJFY-SNVBAGLBSA-N 323.353 -0.320 30 20 DBED COCC#CCN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)CNC(C)=O)C2 1203915893 AVXJWAHLZOBSII-RBSFLKMASA-N 307.394 -0.259 30 20 DBED CC#CCN[C@H]1C[C@H]2CC[C@H]1N(C(=O)Cn1ncn(C)c1=O)C2 1204494571 NFKNFKDCLJTZJP-HZSPNIEDSA-N 317.393 -0.426 30 20 DBED Cn1cnn(CCC(=O)N2CCC(CNCC#N)CC2)c1=O 1205748870 QRWUQHUMGZKTOW-UHFFFAOYSA-N 306.370 -0.676 30 20 DBED Cc1nnsc1C(=O)N1CCC[C@H](NCC(=O)NCC#N)C1 1207251459 JKZXLFXFJMBEGB-JTQLQIEISA-N 322.394 -0.320 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H](NCCN(C)S(C)(=O)=O)C1 1207689516 ZWEIWZBWVMQZBV-NEPJUHHUSA-N 316.427 -0.382 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCCN(C(=O)CCOCC#C)C1 1208029062 NSIXADBHYBHWBP-GJZGRUSLSA-N 319.405 -0.255 30 20 DBED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)C1[C@H]2CCC[C@H]12 1212081554 ORGBDPKAHPJTRN-WUHRBBMRSA-N 320.393 -0.512 30 20 DBED C[C@@H]1CN(C(=O)c2nccs2)C[C@H]1NCC(=O)NCC#N 1216036239 VNGWVDRYWPIUER-NXEZZACHSA-N 307.379 -0.167 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(Cc2nc(CC)no2)C[C@@H]1O 1219536041 JKUYSERKMXCIPF-JRPNMDOOSA-N 324.381 -0.380 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C#CC(C)(C)C)C1 1219596308 NYEDPTNBEQPDMB-OLZOCXBDSA-N 307.394 -0.501 30 20 DBED C#CCC1(C(=O)N[C@@H]2CN(CCn3cncn3)C[C@@H]2O)CCC1 1219785591 SNADLQDJNNMWFD-KGLIPLIRSA-N 317.393 -0.367 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)CNC(=O)Cc2ccccc2)C1 1220917491 AUCPECPPYIEDEI-KGLIPLIRSA-N 316.361 -0.970 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)[C@H]3CCCOC3)[C@@H]2C1 1221426973 QEXSWACVPRGYCO-QLFBSQMISA-N 319.405 -0.305 30 20 DBED CS(=O)(=O)NCCC(=O)N1CC[C@H]2CCN(CC#N)[C@H]2C1 1222809336 ASNMAGKIGIWHSP-NEPJUHHUSA-N 314.411 -0.628 30 20 DBED COCCCNC(=O)CN1CCC(NC(=O)[C@H](C)C#N)CC1 1226625756 OUCFLSVITSTCHD-GFCCVEGCSA-N 310.398 -0.121 30 20 DBED C[C@@H]1COCC[C@H]1C(=O)NC1CCN(CC(=O)NCC#N)CC1 1229058484 NOCHPFPOAZGBLE-TZMCWYRMSA-N 322.409 -0.121 30 20 DBED C=CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)c1cnn(C)c1 1230740197 RQBCFSJAXBNNAP-CYBMUJFWSA-N 305.382 -0.131 30 20 DBED C=CCNC(=O)NC(=O)CN(C)CCCNC(=O)COC 1230944042 IMTSWOZMPGVQQI-UHFFFAOYSA-N 300.359 -0.917 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)c1ccc(C)nn1 1234139175 FOEKSXVDXBHIAG-CYBMUJFWSA-N 315.377 -0.319 30 20 DBED C=C[C@H](CO)NC(=O)C(=O)Nc1cccc(N2CCNC2=O)c1 1261629346 CAVZSQILEGCKJY-SNVBAGLBSA-N 318.333 -0.182 30 20 DBED C#CCOc1ccc(NC(=O)C(=O)NCC2(CO)COC2)cc1 1319582047 RUOKLNHIHPMUKQ-UHFFFAOYSA-N 318.329 -0.238 30 20 DBED CC(C)CN(C)C(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1322760107 KXPCPHYYIKTJMQ-SEYXRHQNSA-N 322.365 -0.257 30 20 DBED N#CCOc1cccc(CNC(=O)C(=O)N2CCNC(=O)C2)c1 1323494384 JJLQSFVLIXXLFO-UHFFFAOYSA-N 316.317 -0.836 30 20 DBED C=C(C)COCCNC(=O)C(=O)N(CCO)C1CCOCC1 1323604193 TVJWLOQEYBIXQT-UHFFFAOYSA-N 314.382 -0.305 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)NC[C@H](C)CN1CCOCC1 1323782891 WCBZIABONGHCNY-STQMWFEESA-N 313.398 -0.612 30 20 DBED CC[C@@H](C)N1CCN(C(=O)C(=O)N2CCO[C@H](C#N)C2)CC1 1324889442 GTVBKCWXYHSRTJ-CHWSQXEVSA-N 308.382 -0.320 30 20 DBED CS(=O)(=O)N1CCC(CNC(=O)[C@H](N)CCCC#N)CC1 1326536091 FFSFMFWYOIRIMW-GFCCVEGCSA-N 316.427 -0.205 30 20 DBED C=CCOCCNC(=O)C(=O)N1CCCC[C@@H]1CNC(C)=O 1329909154 QOSQXBUKNATMEL-CYBMUJFWSA-N 311.382 -0.178 30 20 DBED C[C@H]1CN(C(=O)C(=O)Nc2cnn(CC#N)c2)CC[C@@H]1C(=O)O 1331481746 WRWXYMDPQBUBBD-ONGXEEELSA-N 319.321 -0.086 30 20 DBED C#CCNC(=O)C1CCN(C(=O)[C@]2(CC)CCNC2=O)CC1 1332006351 INSHYKYNIHLJDM-MRXNPFEDSA-N 305.378 -0.109 30 20 DBED C#CCN1CCC[C@@H](NC(=O)N2CCC(OCC(N)=O)CC2)C1 1333216876 ZVEAAMDZTNYVIC-CYBMUJFWSA-N 322.409 -0.240 30 20 DBED C=CCn1c([C@@H]2CCCN2C)nnc1N1CCO[C@H](C(N)=O)C1 1339774348 LGSVJNYNFMORPJ-RYUDHWBXSA-N 320.397 -0.079 30 20 DBED C=CCn1c(N2CCNC(=O)C2)nnc1C1(O)CCOCC1 1340505570 AWXSQXCXBQTWAQ-UHFFFAOYSA-N 307.354 -0.602 30 20 DBED CO[C@@H]1COC[C@H]1NC(=O)C(=O)Nc1cc(C)nn1CCC#N 1349156089 PLOKELJCGNLPDU-GHMZBOCLSA-N 321.337 -0.426 30 20 DBED CN(CC(=O)N1CCCC1)C(=O)C(=O)Nc1cccc(C#N)n1 1350279179 ADEGHDNFRJQSGK-UHFFFAOYSA-N 315.333 -0.027 30 20 DBED CN1CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)CC1(C)C 1362544467 MQNGONJWKWMQKT-UHFFFAOYSA-N 305.338 -0.627 30 20 DBED CC1(C)CN(C(=O)CCn2cc(C#N)c(O)nc2=O)C[C@@H]1O 1362777863 UBOVSGDDUXHNIO-JTQLQIEISA-N 306.322 -0.560 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)CS[C@@H]2CCS(=O)(=O)C2)C1 1363120652 DFGYNLZKGXYSNR-ZYHUDNBSSA-N 318.420 -0.216 30 20 DBED N#Cc1cn(CCNC(=O)c2ncc(F)cc2F)c(=O)nc1O 1363483597 NFKBRUWUPZAHLE-UHFFFAOYSA-N 321.243 -0.076 30 20 DBED Cn1c(=O)[nH]c(NC[C@@H](O)CN2CCCCC2)c(C#N)c1=O 1364563049 IUZVKSIAIRXBPQ-SNVBAGLBSA-N 307.354 -0.796 30 20 DBED C=C(Br)CNC[C@H](C)CNC(=O)Cn1ncnn1 1367238964 JNHVWIIJNWXVNU-QMMMGPOBSA-N 317.191 -0.076 30 20 DBED C[C@H](C#N)C(=O)NCCN1CCN(Cc2ccnn2C)CC1 1369891074 WDLZWMUUFHUVIT-CYBMUJFWSA-N 304.398 -0.186 30 20 DBED CCc1cc(C(=O)N(C)C[C@@H](O)CNC(=O)[C@@H](C)C#N)n[nH]1 1384190833 YCZINHOAXMHPTM-ONGXEEELSA-N 307.354 -0.319 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(NC(=O)C2(NC(N)=O)CC2)CC1 1385451615 MJBJUFVWHNBQMH-VIFPVBQESA-N 307.354 -0.546 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1C[C@@H](NC(=O)[C@H]2CCC(=O)N2C)C1 1396541001 QTBKPEQLVPFUNY-WISYIIOYSA-N 306.366 -0.222 30 20 DBED C[C@@H](C#N)C(=O)NCCC1CCN(C(=O)[C@H](C)NC(N)=O)CC1 1399212177 ZIFQSAUEKMQISJ-QWRGUYRKSA-N 323.397 -0.052 30 20 DBED C[C@H](C#N)C(=O)N1CCN(CCNC(=O)c2ccnnc2)CC1 1407469361 NNUROOZBGLSQCZ-GFCCVEGCSA-N 316.365 -0.490 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)COCc2nncn2C)CC1 1410820037 PPSSTLFAVYRMAA-SNVBAGLBSA-N 320.353 -0.744 30 20 DBED Cc1nn(C)c(NC(=O)Cn2nc3n(c2=O)CCCC3)c1C#N 1411478434 UOFVOUDTKLWZOE-UHFFFAOYSA-N 315.337 -0.067 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CCN(C(=O)c2ccc(C(N)=O)o2)C1 1414936147 GCPIUPMVMZHCCQ-IUCAKERBSA-N 304.306 -0.131 30 20 DBED C[C@H](C#N)C(=O)NCCN1CCN(Cc2cn(C)nn2)CC1 1419127127 IEZCZWJLAURBAS-GFCCVEGCSA-N 305.386 -0.791 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)Cn1ncnn1 1426720268 PXEYCDQTOHQTFH-GMTAPVOTSA-N 305.342 -0.624 30 20 DBED CCO[C@H](C)C(=O)N1CCN(CCNC(=O)[C@@H](C)C#N)CC1 1427704674 SZKWJWSYUGUGSD-QWHCGFSZSA-N 310.398 -0.169 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CCN(C(=O)CCn2ccnn2)C1 1428870324 ULCTYSAOFZSAKB-RYUDHWBXSA-N 304.354 -0.207 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)Cn2cnnn2)CCCC1 1430765530 CXWJUBYATURWJG-JTQLQIEISA-N 305.342 -0.622 30 20 DBED COC[C@@H](OC)C(=O)NC[C@@H](C)NC(=O)c1cc(C#N)c[nH]1 1433388248 ZWSQPKLNZOPINP-BXKDBHETSA-N 308.338 -0.218 30 20 DBED CC[C@H](C(N)=O)N1CCN(CCN(C)C(=O)[C@@H](C)C#N)CC1 1443288674 KDOGESTUWSJNGF-QWHCGFSZSA-N 309.414 -0.514 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]1CNC(=O)CN1CCCCC1=O 1458753745 NAWBEQPFYZGXAQ-RYUDHWBXSA-N 306.366 -0.124 30 20 DBED C=C(Cl)CN1CCOC[C@H]1CNC(=O)CN1CCOCC1 1484591021 VINZNAVFVOKETO-CYBMUJFWSA-N 317.817 -0.112 30 20 DBED C[C@@H]1C[C@H](C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)CO1 1515131172 OUVRCLWCWBYEDT-VWYCJHECSA-N 314.363 -0.623 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)Cn2nc(C)cc2C)C1 1566669693 RWLJUCFQHRYBPA-CQSZACIVSA-N 319.409 -0.007 30 20 DBED CC(C)C#CC(=O)N[C@H](CO)CNC(=O)CCCc1cnn[nH]1 1575318919 SWIIBLIGKZTKGV-ZDUSSCGKSA-N 321.381 -0.620 30 20 DBED C[C@H]1CCN(c2cnc(C#N)c(-c3nn[nH]n3)n2)CC[S@@]1=O 1576214298 OSHBNOWRNPCQPJ-ZCAPAMDOSA-N 318.366 -0.124 30 20 DBED C#CCC1(NS(=O)(=O)c2cc(C(=O)O)[nH]n2)CCOCC1 1588427576 DFFIOPOJUDTQKB-UHFFFAOYSA-N 313.335 -0.041 30 20 DBED C#CCNC(=O)CN1CCN(CCC2(C(=O)O)CCC2)CC1 1588430423 LTIHHBGETMRDII-UHFFFAOYSA-N 307.394 -0.002 30 20 DBED C=CCOC[C@H](NC(=O)[C@H]1CN(C(C)=O)CCO1)C(=O)O 1588855574 LSELTOKAJGDNCF-WDEREUQCSA-N 300.311 -0.994 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC([C@@H](O)C(=O)O)CC1 1592221716 MNZSOLZITPYSEX-GXSJLCMTSA-N 319.383 -0.377 30 20 DBED COCC#CCN1CC2(C1)CN(C(=O)[C@@H]1C[C@@H]1C(=O)O)CCO2 1599139082 SPZPDYDKIWEBAG-OLZOCXBDSA-N 322.361 -0.730 30 20 DBED Cc1csc(C(=O)O)c1S(=O)(=O)NCC(=O)NCC#N 1600654242 LDBHKYLDWWZDGE-UHFFFAOYSA-N 317.348 -0.327 30 20 DBED C#C[C@H](C)N(C)c1nnc(Cn2cnc(-c3nn[nH]n3)n2)n1C 1602690782 ZYWOSEXLFJLACN-QMMMGPOBSA-N 313.329 -0.907 30 20 DBED C#CC[C@@H](NC(=O)[C@H](C(C)C)N1CCCS1(=O)=O)C(=O)O 1609076543 PRBSVQNJAOXBCR-MNOVXSKESA-N 316.379 -0.361 30 20 DBED Cc1cc(C=NNC(=S)NCC(N)=O)ccc1-c1nn[nH]n1 1609400027 ZQKXSWBTUVDITK-UHFFFAOYSA-N 318.366 -0.542 30 20 DBED CN(CC(=O)NCc1ccco1)C(=O)Cn1cnc(C#N)n1 1647110057 GMTVVARDZHCUOL-UHFFFAOYSA-N 302.294 -0.482 30 20 DBED C=CCNC(=O)CN[C@@H](C)CCNC(=O)c1nccnc1N 1717340013 UUPDOPXAFDKJOV-JTQLQIEISA-N 306.370 -0.541 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)c2nnn(C)c2C)C1 1752556915 UCALIVKFKUJBQJ-PWSUYJOCSA-N 320.397 -0.382 30 20 DBED COc1ccc(CNCCN(C)C(=O)CC(N)=O)cc1C#N 1753177626 CQLYDXNCOPIPMB-UHFFFAOYSA-N 304.350 -0.010 30 20 DBED N#CCNC(=O)CN1CC[C@@H](CCNC(=O)CN2CCCC2)C1 1753339929 VNLZKZSQQRMULI-CQSZACIVSA-N 321.425 -0.450 30 20 DBED C#CCOCCC(=O)N1C[C@@H]2C[C@H]1CN2CC(=O)NCC1CC1 1753420569 CADNWTUHCIFLOB-GJZGRUSLSA-N 319.405 -0.162 30 20 DBED C#CCNC(=O)CN1CC[C@H](N(C)C(=O)CCc2cn[nH]c2)C1 1753445764 RLEZWBQBAOCSCB-AWEZNQCLSA-N 317.393 -0.376 30 20 DBED C#CCOCCC(=O)N1CCC2(CC1)CN(CC(=O)NC)C2 1753673456 JQYQHTURNLTXKP-UHFFFAOYSA-N 307.394 -0.303 30 20 DBED CN(CC#N)CCN(C)C(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 1753859862 BPSAHVPZKXHDBR-CABCVRRESA-N 324.425 -0.220 30 20 DBED C=CCNC(=O)CNC[C@H](C)NC(=O)[C@@H]1CCc2nccn2C1 1754273449 RTIQAOBSFCWBKL-QWHCGFSZSA-N 319.409 -0.158 30 20 DBED C=CCNC(=O)CNC1(CNC(=O)Cn2ccccc2=O)CC1 1754533274 QCIJDBHOPAJZBY-UHFFFAOYSA-N 318.377 -0.611 30 20 DBED C#CCNC(=O)CN1CC[C@](C)(NC(=O)c2[nH]nnc2C)C1 1754677545 JKNMJMLPKLMAJK-AWEZNQCLSA-N 304.354 -0.943 30 20 DBED C=CCOCCN1CC(O)(CNC(=O)c2cn(CC)cn2)C1 1754778367 YCUUTSZJEXGPIY-UHFFFAOYSA-N 308.382 -0.118 30 20 DBED CC#CCN(C)CCCN(C)C(=O)[C@H]1CCS(=O)(=O)N1 1755045460 WEXZBNAXNGMYGN-GFCCVEGCSA-N 301.412 -0.518 30 20 DBED C[C@@H]1CN(C(=O)CS(=O)(=O)NC(C)(C)C)C[C@@H]1NCC#N 1755121865 MNLWZRSFGCIYJF-MNOVXSKESA-N 316.427 -0.336 30 20 DBED C=CCNC(=O)[C@H](C)NCC1CC(NC(=O)C(C)(C)C(N)=O)C1 1755212766 FYIGYTPYUXQWSQ-UNXYVOJBSA-N 324.425 -0.327 30 20 DBED CN(CC(=O)NCC#N)C[C@@H](O)CN(C)C(=O)[C@@]1(C)C=CCC1 1755805174 SYXHDFSDGLGWPS-CJNGLKHVSA-N 322.409 -0.266 30 20 DBED C#CCO[C@H](C)C(=O)NCC1CC(NC(=O)c2cnn[nH]2)C1 1755939623 YWMRLLABZGHHEM-KPPDAEKUSA-N 305.338 -0.532 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)[C@@H](C)CNC(=O)c1cn(C)nn1 1756022908 MISSACOOBIWOCX-QWRGUYRKSA-N 307.354 -0.570 30 20 DBED C=CCOCC(=O)N1CCO[C@H]([C@H](C)NC(=O)COC)C1 1756215733 GQQPZLGCPITOIO-RYUDHWBXSA-N 300.355 -0.433 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CN(C)C(=O)[C@H](O)C(C)C 1756448327 QGNWRSBOQJWGGV-SMDDNHRTSA-N 311.382 -0.894 30 20 DBED N#Cc1cc(C(=O)N[C@@H](CO)CNC(=O)C#CC2CC2)c[nH]1 1756519042 AQEMDNICKCMTNC-CYBMUJFWSA-N 300.318 -0.493 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H](CO)NC(=O)c1ccn(C)c1 1756521874 XZBGFFRIHPXNLY-DGCLKSJQSA-N 307.350 -0.730 30 20 DBED Cn1ncc(C(=O)NC[C@@H](CO)NC(=O)C#CC(C)(C)C)n1 1756534834 APTYXCCHGKCPIY-JTQLQIEISA-N 307.354 -0.929 30 20 DBED C=CCOCCCC(=O)N1C[C@H](NC(=O)CC(N)=O)C[C@@H]1C 1756584470 WSLYUZICOBRXEN-NWDGAFQWSA-N 311.382 -0.050 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C[C@@H](O)CNC(=O)c1ccccn1 1756663412 PDMIRACGDJYOBM-OLZOCXBDSA-N 319.361 -0.331 30 20 DBED COCCN(CCNC(=O)C#CC1CC1)C(=O)C1=COCCO1 1756726371 FHIQNCGFCLJNTR-UHFFFAOYSA-N 322.361 -0.121 30 20 DBED C=C(C)C(C)(C)C(=O)N[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1O 1757021797 FNLUPOZMQRSOLH-VXGBXAGGSA-N 321.381 -0.281 30 20 DBED C#CCCCC(=O)N1C[C@@H](NC(=O)[C@H]2CNC(=O)N2)[C@H](C)C1 1757099085 FIUDRPKHXYOGKO-IJLUTSLNSA-N 306.366 -0.566 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1CN(C(=O)[C@H](C)n2cncn2)C[C@@H]1O 1757199179 ISFBFEMOBYQKFZ-TUAOUCFPSA-N 321.381 -0.261 30 20 DBED C=CCCCC(=O)N[C@@H]1CN(C(=O)Cn2nccn2)C[C@@H]1O 1757205355 UYJVAWKFCXJLMU-NEPJUHHUSA-N 307.354 -0.678 30 20 DBED NC(=O)CNC(=S)NN=Cc1c(F)cc(C(=O)O)cc1F 1776042445 ONJKNFZLJUIFCF-UHFFFAOYSA-N 316.289 -0.054 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)Cc1cnn(C)c1)CCO2 1783054664 ZXFXNZYQDRAXSG-INIZCTEOSA-N 316.361 -0.574 30 20 DBED C#CCCC(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1785425625 TZRVWDAOWRLYPC-MRXNPFEDSA-N 318.329 -0.682 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)=O 1795057344 IQCXFPFEZCCYJZ-FQUUOJAGSA-N 322.361 -0.797 30 20 DBED N#CCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1=NNC(=O)C1)C2 1795856855 REJAYLPPKWHXTD-JGPRNRPPSA-N 317.349 -0.196 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)CC 1847488625 KJTBYIMRIOUWBD-RFGFWPKPSA-N 308.378 -0.003 30 20 DBED CC(C)[C@](C)(C#N)NC(=O)CN1CCN(C(=O)CN(C)C)CC1 51762196 KVZWBXHEHSPEBE-INIZCTEOSA-N 323.441 -0.253 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)NCCNC(=O)C2CC2)cc1 171105719 FKGYMCNJFRKUQV-UHFFFAOYSA-N 314.345 -0.070 30 20 DBED COCCNC(=O)CN1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 177486181 OOJUKSYYFDCQQK-UHFFFAOYSA-N 319.365 -0.593 30 20 DBED C[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc(C#N)nc1 218980391 FQJYLUXTIVPECD-SECBINFHSA-N 315.376 -0.239 30 20 DBED C=CCNC(=O)CN1CCC[C@@H](CNC(=O)[C@@H]2CCCN2)C1 262303877 OWNWLUNZCNINIV-KBPBESRZSA-N 308.426 -0.131 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC([C@@H](C)N)CC2)C1=O 262542581 HHAJMHILQSIYPX-SNVBAGLBSA-N 322.365 -0.451 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCC[C@H]2CN)C1=O 262648308 WEYQNHZOCOXMJL-VHSXEESVSA-N 308.338 -0.793 30 20 DBED C[C@@H]1OCC[C@]1(O)C/N=C(/N)N1CCN(c2ncccn2)CC1 262707773 BWZLISBBLYNBJE-WFASDCNBSA-N 320.397 -0.547 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCCO[C@H](C)C2)C1=O 263867931 ZZSHJXOBCJNKBH-SNVBAGLBSA-N 309.322 -0.399 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)CCO1 265245020 MTOXNGYAPUDLIQ-LLVKDONJSA-N 321.358 -0.114 30 20 DBED Cn1c(N(CCO)Cc2cccnc2)c(C#N)c(=O)n(C)c1=O 266164495 XSQHGMFBYBPQAZ-UHFFFAOYSA-N 315.333 -0.650 30 20 DBED C[C@@]1(C2CC2)NC(=O)N(CC(=O)N2CCOC[C@@H]2C#N)C1=O 266230160 SVZLWMASYZGVHV-HZMBPMFUSA-N 306.322 -0.542 30 20 DBED C#CCSCCNC(=O)CNS(=O)(=O)c1cn(C)cn1 268111813 MDILXWAJAVVSLS-UHFFFAOYSA-N 316.408 -0.819 30 20 DBED C[C@H](O)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)nc2)CC1 270825871 PMWVNZFQOWMJJS-JTQLQIEISA-N 324.362 -0.833 30 20 DBED CN1CC[C@@H]2CCN(c3c(C#N)c(=O)n(C)c(=O)n3C)[C@@H]2C1 272257588 ZOJGWMGWSFZFSH-ZYHUDNBSSA-N 303.366 -0.514 30 20 DBED C=CC[C@@H](CO)NC(=O)CSCC(=O)N[C@H](CO)CC=C 273470854 JSLVLWVENRZSSJ-RYUDHWBXSA-N 316.423 -0.174 30 20 DBED C#CCOc1ccccc1NC(=O)C(=O)N(CCO)CCO 275349410 ZJOHEJMWIXIWHV-UHFFFAOYSA-N 306.318 -0.550 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)[C@H](C)CS(C)(=O)=O)C1=O 280987325 AEFYPSKHCIZGIJ-GHMZBOCLSA-N 302.396 -0.088 30 20 DBED C=CCN(C)C(=O)C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O 286959325 JOVQRRCIZVWJQT-QMMMGPOBSA-N 307.272 -0.090 30 20 DBED CN1CCC(O)(CNS(=O)(=O)c2cncc(C#N)c2)CC1 289474142 NJNHPYROWHSHQS-UHFFFAOYSA-N 310.379 -0.312 30 20 DBED C=C[C@@H](CO)NC(=O)C(=O)Nc1ccc(OCC(=O)OC)cc1 290055540 MTRUZCJODNCZTJ-JTQLQIEISA-N 322.317 -0.160 30 20 DBED C=CCN(C)C(=O)C(=O)NCCCOCCOCCOC 290436980 KMJVQVHQUVSUTC-UHFFFAOYSA-N 302.371 -0.183 30 20 DBED CC#CCN(C)CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 293040629 GZVSRHFPUDZVEJ-UHFFFAOYSA-N 323.418 -0.052 30 20 DBED C[C@@H](O)CNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 298368047 XZDSATDLLCPLKO-SNVBAGLBSA-N 311.363 -0.011 30 20 DBED CC(C)N1C(=O)C[C@H](NS(=O)(=O)N(C)[C@H](C)CC#N)C1=O 330425283 SELOFNHBMCSDDB-ZJUUUORDSA-N 316.383 -0.409 30 20 DBED CNC(=O)CN1CCC(/N=C(/O)N(C)CCn2cccn2)CC1 330698239 LHHKSBLOLQFXPU-UHFFFAOYSA-N 322.413 -0.061 30 20 DBED CCS(=O)(=O)C[C@H](C)N(C)/C(O)=N/C[C@H]1CN(C)CCO1 330756491 KOZGIBJIIZIPDH-RYUDHWBXSA-N 321.443 -0.014 30 20 DBED CC(C)(CC#N)CNC(=O)C(=O)N1CCN2CCOC[C@@H]2C1 332735557 UXPILYCCTAXAKS-LBPRGKRZSA-N 308.382 -0.415 30 20 DBED N#C[C@H]1CN(S(=O)(=O)N(C[C@@H]2CCOC2)C2CC2)CCO1 336901716 CAJBXSYTEHQSOR-AAEUAGOBSA-N 315.395 -0.044 30 20 DBED CC(=O)NC[C@@H]1CN(S(=O)(=O)N(C)C[C@H](C)C#N)CCO1 337082256 ZIGYVOJJZULYRI-ZYHUDNBSSA-N 318.399 -0.840 30 20 DBED C[C@@H](C(=O)NC1(C#N)CCC1)N1CCC[C@@H](S(N)(=O)=O)C1 346565141 MBJQQWIWTJTJQP-WDEREUQCSA-N 314.411 -0.310 30 20 DBED N#C[C@@H](NC(=O)c1cn(CC(N)=O)nn1)c1ccccc1F 349474368 MBNIUAZTYZJUER-SNVBAGLBSA-N 302.269 -0.103 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 353136117 JUYGXOZSNXIEOX-GARJFASQSA-N 315.395 -0.494 30 20 DBED N#Cc1cc([N+](=O)[O-])cnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 354387188 LMTDIHXDCWOQOM-JTQLQIEISA-N 316.277 -0.992 30 20 DBED N#Cc1ccc(NC(=O)C(=O)N2C[C@@H](O)C[C@H]2CO)cc1F 354471550 SOHOIQIMYMVJJO-QWRGUYRKSA-N 307.281 -0.410 30 20 DBED Cc1ccc(NC(=O)C(=O)NCC(=O)NCC#N)cc1[N+](=O)[O-] 357296885 WXXGSGPAICKONR-UHFFFAOYSA-N 319.277 -0.402 30 20 DBED N#CC1(NC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 365384571 AURPWSNPMHNIAK-LBPRGKRZSA-N 306.366 -0.661 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2CC[C@@H](C)O2)C1=O 422474644 HEZNCPCSCORSHG-UPJWGTAASA-N 323.393 -0.085 30 20 DBED C=CCn1cc(CNC(=O)CN(C)CC(=O)NC(C)C)nn1 424924831 MXFGHYPABZOIPD-UHFFFAOYSA-N 308.386 -0.463 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](CC)c2ncc[nH]2)C1=O 442799397 KSIMDIATDHZYIG-SECBINFHSA-N 319.321 -0.046 30 20 DBED COC(=O)[C@@H]1CNC(=O)CN1CC(=O)Nc1ccc(C#N)cc1 447902432 JRMURPALUITVBB-LBPRGKRZSA-N 316.317 -0.530 30 20 DBED COC(=O)[C@H]1CNC(=O)CN1CCOc1ccc(C#N)cc1 447903804 ILWGGCYFTXBOLN-CYBMUJFWSA-N 303.318 -0.090 30 20 DBED CCOC(=O)COCCNS(=O)(=O)N(CC)CCC#N 451777140 COLXKWOWVORBCO-UHFFFAOYSA-N 307.372 -0.364 30 20 DBED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)Nc1cncc(OC)n1 571646399 BTPWEJFYISVQSE-GXFFZTMASA-N 320.349 0.521 30 20 DBED Cc1ccn(C[C@](C)(O)C(=O)N2CC[C@](O)(CC#N)C2)c(=O)c1 592850724 YPCYZTBKKOFIGW-JKSUJKDBSA-N 319.361 -0.215 30 20 DBED C[C@@H]1CN(C(=O)C(=O)N2CCN(CCC#N)CC2)C[C@@H](C)N1 601581554 IDPKGOFGTYWUGF-CHWSQXEVSA-N 307.398 -0.747 30 20 DBED N#CCCN1CCN(C(=O)CCN2CCCS2(=O)=O)CC1 602210699 SDIQONPRWGEXDI-UHFFFAOYSA-N 314.411 -0.530 30 20 DBED N#Cc1ccnc(N2CCN(C(=O)C3(NC(N)=O)CC3)CC2)c1 611240148 ZXKBVUDGISKKNQ-UHFFFAOYSA-N 314.349 -0.197 30 20 DBED C=C[C@@](C)(O)C(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1 614190725 SBIBZJUABZNREE-WCQYABFASA-N 302.396 -0.050 30 20 DBED CC#CC[C@H](CO)NC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 649185505 GAPZXSLNTAOZPV-XMKDAVRRSA-N 320.345 -0.961 30 20 DBED N#CCNC(=O)COC(=O)C[C@@H](NC(N)=O)c1ccccc1 731237771 QATBXVZRVOUCFR-LLVKDONJSA-N 304.306 -0.031 30 20 DBED CC(C)[C@](C)(C#N)NC(=O)COC(=O)[C@@H](C)NS(C)(=O)=O 758477478 PGEOBQMIJLTSMV-SKDRFNHKSA-N 319.383 -0.478 30 20 DBED C#CCN1CCN(S(=O)(=O)N(C)C2CCOCC2)CC1 767308145 HBPSMXSWMCFPMS-UHFFFAOYSA-N 301.412 -0.407 30 20 DBED C#CCC[C@H](O)CNC(=O)NC[C@H]1COC2(CCOCC2)O1 798450000 AIRWMPUFTLPXJM-STQMWFEESA-N 312.366 -0.018 30 20 DBED Cc1ccc([C@@H](O)CNS(=O)(=O)N2CCO[C@@H](C#N)C2)o1 800059552 IOCPTMIBNSKGQG-QWRGUYRKSA-N 315.351 -0.320 30 20 DBED C#C[C@@H](C)NC(=O)CNS(=O)(=O)c1c[nH]c2ncccc12 803122075 WYSRODYSRZEDAE-SECBINFHSA-N 306.347 -0.021 30 20 DBED C=CCn1cc(C(=O)OCCc2cn(CC(=O)OC)nn2)nn1 830126099 YLMUIMBOBPKPGX-UHFFFAOYSA-N 320.309 -0.372 30 20 DBED C[C@H](CCN)NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 834456704 HNNSKUXMNKJSOV-SNVBAGLBSA-N 324.406 -0.031 30 20 DBED N#C[C@H]1CNC[C@@H]1NC(=O)CN1CCN(c2ccccn2)CC1 834499584 JZNLOZLTPBTMTL-KBPBESRZSA-N 314.393 -0.569 30 20 DBED NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCN(O)C2=O)s1 848138635 OYPOPJHIINJYKV-ZCFIWIBFSA-N 319.364 -0.495 30 20 DBED CO[C@@](C)(C(=O)O)C(=O)NS(=O)(=O)c1ccc(C#N)cc1 863952506 ZEGHXTWIMSMNFB-GFCCVEGCSA-N 312.303 -0.147 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)OCCCF)CC1 872515249 JSPJECMUZFCFBH-UHFFFAOYSA-N 307.347 -0.432 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)c2cn(C)nc2OC)CC1 883956161 BMWVYDNYJGSXTB-UHFFFAOYSA-N 321.381 -0.511 30 20 DBED CC#CC[C@@H](CO)NC(=O)NCCS(=O)(=O)N1CCCC1 897944052 GDCGVRDLRSULJQ-LBPRGKRZSA-N 317.411 -0.515 30 20 DBED CC(C)CN(CCC#N)CC(=O)c1c(N)n(C)c(=O)n(C)c1=O 916645077 RNUPGOPURMJXSY-UHFFFAOYSA-N 321.381 -0.279 30 20 DBED CN(C(=O)c1cn(C)nn1)[C@@H]1CCN(C(=O)C#CC2CC2)C1 937347814 UBPJZGZDFOEQRH-GFCCVEGCSA-N 301.350 -0.099 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2CCN(CC(N)=O)C[C@H]2C)nc1 944193566 XOZZRYXYFLHAGF-YPMHNXCESA-N 300.362 -0.012 30 20 DBED CO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1NC(=O)Cc1[nH]cnc1C 944222853 QYFMVCYMZYZYFY-ZWKOPEQDSA-N 319.365 -0.238 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCN(C(=O)[C@H]3CCNC3=O)CC2)C1 944997356 ZGEMVFMQXPSSRE-RYUDHWBXSA-N 318.377 -0.267 30 20 DBED C#CCCN1CCOC2(CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)C1 949512318 XCPLDEJXBKRILL-AWEZNQCLSA-N 319.405 -0.018 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2CCN2C(=O)[C@@H](C)OC)nn1 950052086 BMYXCFIJSRNSDA-MNOVXSKESA-N 307.354 -0.170 30 20 DBED C[C@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)Cn1cnnn1)CC2 952591950 LIGYJCUUOLYCBA-WOPDTQHZSA-N 317.353 -0.575 30 20 DBED NC(=O)CC(=O)N1CC[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21 953343089 UYRSEUQDNBMJPB-STQMWFEESA-N 303.362 -0.275 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)C(N)=O)C[C@@H]2C)cn1 955760276 KXIUQIDOGPKBOX-GXFFZTMASA-N 314.345 -0.343 30 20 DBED Cn1cnc2cncc(C(=O)NC[C@H]3CN(CC#N)C[C@@H]3O)c21 958151061 DQOPLJFVWYDBLF-GWCFXTLKSA-N 314.349 -0.486 30 20 DBED C=C(C)CCN1C[C@H](CNC(=O)c2nnc(O)nc2O)[C@@H](O)C1 958224067 SJJCKYTUONTFOZ-UWVGGRQHSA-N 323.353 -0.729 30 20 DBED C#Cc1ccc(C(=O)N(C)[C@H]2CN(C(=O)C(F)F)C[C@@H]2O)nc1 958905816 PWPOVECADACRBX-RYUDHWBXSA-N 323.299 -0.028 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CN(C(=O)[C@@H](C)n3cncn3)C[C@H]2C1 961408153 PQGWKQWLHUCATN-QNWHQSFQSA-N 316.365 -0.084 30 20 DBED C#CCN1C[C@H]2[C@H](NC(=O)c3cccc(-n4cnnn4)c3)[C@H]2C1 962509492 OOJLEIVBSRAAGG-FICVDOATSA-N 308.345 -0.045 30 20 DBED C#CCNC1CCC(N(C)C(=O)c2cn(CC(N)=O)nn2)CC1 964438569 VETBXTOVHHZNPC-UHFFFAOYSA-N 318.381 -0.631 30 20 DBED C[C@@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)[C@H]1COC(=O)N1)C2 969806059 PSEONFRTIXZSOR-XWLWVQCSSA-N 306.322 -0.544 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)[C@H]3COCCN3CC)C2)C1 972440421 FRTHHNQTHWQZIV-NVXWUHKLSA-N 321.421 -0.356 30 20 DBED C#Cc1ccc(C(=O)NCC2[C@@H]3CN([C@@H](C)C(N)=O)C[C@@H]23)nc1 978993513 QLYJPDDVNPBYTD-BPNCWPANSA-N 312.373 -0.156 30 20 DBED C[C@]1(CC(=O)N2CCCN(CC#N)CC2)CCS(=O)(=O)N1 989557226 DVUUYFCDIKHMEH-CYBMUJFWSA-N 314.411 -0.484 30 20 DBED N#CCN1CC[C@H](n2cc(CNC(=O)c3n[nH]cc3F)nn2)C1 1000012263 DBQRHZZIISUITJ-JTQLQIEISA-N 318.316 -0.159 30 20 DBED C#CCN[C@H]1CCCN(C(=O)C[C@]2(C)CCS(=O)(=O)N2)C1 1000789715 OTGUHLRMFINCDN-JSGCOSHPSA-N 313.423 -0.328 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2C(CNC(=O)c3cc[n+]([O-])cc3)[C@H]2C1 1008750872 DSMWYSINAJZUNT-LERXQTSPSA-N 314.345 -0.086 30 20 DBED C[C@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN([C@@H]1CCC(=O)NC1=O)C2 1017423759 XPYWITLJZKCSQZ-NOOOWODRSA-N 304.350 -0.374 30 20 DBED O=C1CC[C@@H](C(=O)NCC2=CCN(C(=O)C#CC3CC3)CC2)N1 1017609589 SVIYNTSOCBMGAM-AWEZNQCLSA-N 315.373 -0.047 30 20 DBED C#CCN1CCC(C(=O)N2[C@H]3CC[C@H]2CN(CCO)C3)CC1 1018302123 XMSJRADNTVMTBM-HOTGVXAUSA-N 305.422 -0.001 30 20 DBED Cc1cn2nc(C(=O)N[C@H]3C[C@H](NCC#N)C3)cc2c(=O)[nH]1 1020434997 VFOABRQFZVHECL-MGCOHNPYSA-N 300.322 -0.295 30 20 DBED C#CCN[C@@H]1CC[C@H]2CN(C(=O)CN3CCN(C)C(=O)C3)C[C@@H]21 1026298202 MVARUECACIBSKK-SOUVJXGZSA-N 318.421 -0.780 30 20 DBED C=CCN(C)[C@@H]1CCCN(C(=O)Cn2ccc(=O)n(C)c2=O)C1 1027435024 XIPZRNNIWHZIFK-CYBMUJFWSA-N 320.393 -0.344 30 20 DBED C=CCN1CC[C@H](N2CC(CNC(=O)[C@H]3CCOC3)C2)C1=O 1031572315 JIRVKVMTGAVLRU-KBPBESRZSA-N 307.394 -0.142 30 20 DBED N#Cc1cccc(CN2CC(CNC(=O)[C@H]3CNC(=O)N3)C2)c1 1031943635 BCQCQTYXWDVMOO-CQSZACIVSA-N 313.361 -0.212 30 20 DBED C#CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cnc2c(c1)NC(=O)CO2 1032500927 LQMYQYNYFFDTLM-RYUDHWBXSA-N 312.329 -0.056 30 20 DBED C=CCCN1CC[C@H](N(C)C(=O)[C@H]2CCS(=O)(=O)N2)C1 1033676830 ZJOCDNWRSXTZKT-NWDGAFQWSA-N 301.412 -0.213 30 20 DBED CC#CCN1CCCC[C@@H](NC(=O)CN2CCN(C)C(=O)C2)C1 1034282756 PFQGNFQTVXFZBP-OAHLLOKOSA-N 320.437 -0.246 30 20 DBED C=C(C)CN1CCO[C@@H](CNC(=O)c2nccnc2C(N)=O)C1 1035596795 GCYRURFEYCUIPK-NSHDSACASA-N 319.365 -0.418 30 20 DBED C#CCN[C@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C[C@H]1CC 1037982043 IQBMOXYMTYCFQF-NEPJUHHUSA-N 318.381 -0.773 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@](O)(CNC(=O)C2(C)CC2)C1 1040077269 WJVZHEXFTTXMJA-WBMJQRKESA-N 308.378 -0.096 30 20 DBED CC(C)C#CC(=O)N1CC[C@](O)(CNC(=O)Cn2cncn2)C1 1040962208 IVPNCWYNYJFIQM-HNNXBMFYSA-N 319.365 -0.983 30 20 DBED C[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1NC(=O)[C@H]1COC(=O)N1 1041892355 NGSRMTYRJYGCEU-FBIMIBRVSA-N 316.321 -0.602 30 20 DBED C[C@@H]1CN(c2nccnc2C#N)C[C@H]1NC(=O)c1nnn(C)n1 1042422647 INKDGQQMCRSHHN-PSASIEDQSA-N 313.325 -0.874 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)/C=C/c2ccc[nH]2)C1 1042770256 OLUKNARNJQIQQX-SGUJLRQBSA-N 302.334 -0.123 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)/C=C\c2ccc[nH]2)C1 1042770550 QLRUYCUZFSLYEQ-WAYWQWQTSA-N 319.361 -0.080 30 20 DBED CC(C)(C)C#CC(=O)NCC1(O)CN(C(=O)c2cccnn2)C1 1042965673 FNBMJHJREISEHN-UHFFFAOYSA-N 316.361 -0.171 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)/C=C\C2CC2)C1 1043040023 MSPXQVCLHHWHLR-DGMVEKRQSA-N 306.362 -0.320 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)CN(CC)CC)C1 1043158451 YSAWIYJYBFXHRA-UHFFFAOYSA-N 313.398 -0.780 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(O)(CNC(=O)c2nc(C)c[nH]2)C1 1043222413 ONGKGOHCWWFDDA-CQSZACIVSA-N 322.365 -0.652 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)CN(C)C2CCC2)C1 1043530249 HVIYHZKRJSYPJQ-NSHDSACASA-N 308.382 -0.680 30 20 DBED CC#CCN1CC(N(C)C(=O)c2cc(=O)n3[nH]cnc3n2)C1 1044180591 GZGGDPXDQKDWMR-UHFFFAOYSA-N 300.322 -0.803 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)CCc2ncccn2)C1 1045176988 GKYODYBDVMPJRC-LLVKDONJSA-N 317.349 -0.742 30 20 DBED C=CCN1CC[C@@H](N2CCN(C(=O)[C@H]3COCCO3)CC2)C1 1046005975 CPDZEFGFIPAKPP-HUUCEWRRSA-N 309.410 -0.194 30 20 DBED C=CCN1CC[C@@H](N2CCN(C(=O)[C@@H]3CCNC3=O)CC2)C1 1046049641 UAXIAVZSIUUGCF-ZIAGYGMSSA-N 306.410 -0.473 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)Cc2cc(C)nn2C)C1 1047458207 ZKXRHYTWVJZMLY-GJZGRUSLSA-N 304.394 -0.202 30 20 DBED CN(C(=O)c1cnc2c(c1)nnn2C)[C@H]1CN(CC#N)C[C@@H]1O 1047460503 IFGASQUVUILBQO-RYUDHWBXSA-N 315.337 -0.996 30 20 DBED CN(C(=O)[C@H](C1CC1)N1CCOCC1)[C@H]1CN(CC#N)C[C@@H]1O 1047637029 LTIQCQHYTQSYMW-KKUMJFAQSA-N 322.409 -0.876 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C=C(C)C)C1 1048140827 VVJNQVYSEJNKMV-STQMWFEESA-N 321.377 -0.878 30 20 DBED CN(C(=O)c1cocn1)[C@H]1CN(C(=O)CSCC#N)C[C@@H]1O 1048558830 YHJOGVIXMXKYJN-QWRGUYRKSA-N 324.362 -0.425 30 20 DBED N#CCN1C[C@H]2CN(C(=O)[C@H]3CN4CCC[C@H]4CO3)C[C@H]2C1 1048833292 NCQHRPLCOZHJLU-LJISPDSOSA-N 304.394 -0.237 30 20 DBED C#CCN1C[C@H]2CN(C(=O)[C@@]34C[C@H]5C[C@@H](C(=O)N3)[C@H]4C5)C[C@H]2C1 1048905119 WGCPUVXJHFUOSR-DKWURSEPSA-N 313.401 -0.076 30 20 DBED Cc1nn(CC(=O)N2CCC[C@@H]3[C@@H]2CCN3CC#N)c(=O)n1C 1049870795 NWNCJNIDVUXHHV-OLZOCXBDSA-N 318.381 -0.521 30 20 DBED C=CCCN1CCOC[C@@H]1CNC(=O)c1cn(C)c(=O)n1C 1051263032 OIKVSYFUXOTYRB-LBPRGKRZSA-N 308.382 -0.270 30 20 DBED CC1(C)C[C@H](NC(=O)C(N)=O)CCN(c2ccnc(C#N)n2)C1 1051378010 YFZJFUYWDPEPRS-SNVBAGLBSA-N 316.365 -0.055 30 20 DBED O=C(CN1CC2(C1)CN(C(=O)C#CC1CC1)CCO2)NC1CC1 1053250277 MLMQASVVDNVAJL-UHFFFAOYSA-N 317.389 -0.408 30 20 DBED N#CCN1CC2(CC[C@H](CNC(=O)c3ccc(C(N)=O)[nH]3)O2)C1 1053661013 RSMIFSJCNLSTHH-SNVBAGLBSA-N 317.349 -0.400 30 20 DBED C#CCOCCC(=O)N1C[C@H]2CN(C(=O)c3ncc[nH]3)C[C@H]2C1 1055322875 ULIBCVBUDSKDNR-BETUJISGSA-N 316.361 -0.020 30 20 DBED C#CCN1CCC(C(=O)N2CCC[C@](CO)(NC(C)=O)C2)CC1 1055677617 QPVBQRZYPOTEJV-KRWDZBQOSA-N 321.421 -0.179 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@](CO)(NC(=O)c2ncn(C)n2)C1 1055922159 FYAZRORGQFETOO-HZMBPMFUSA-N 320.353 -0.942 30 20 DBED N#Cc1ccc(N2C[C@H]3C(NC(=O)[C@H]4CCC(=O)N4)[C@@H]3C2)nc1 1056147750 QWWWRESGWVRQJV-IJLUTSLNSA-N 311.345 -0.217 30 20 DBED N#Cc1c(Cl)nsc1N1C[C@H]2C(NC(=O)C(N)=O)[C@@H]2C1 1056381815 DFKYEZQMCVNTOY-PHDIDXHHSA-N 311.754 -0.296 30 20 DBED Cc1cc(=N[C@@H]2CCN(C(=O)Cn3nccn3)C2)c(C#N)c[nH]1 1056712562 HTCZXFOJKSFSBV-CYBMUJFWSA-N 311.349 -0.012 30 20 DBED CN1C(=O)CC[C@@H]1C(=O)N1CC[C@@H](Nc2ccc(C#N)nn2)C1 1056758308 BBZYJALPFDXALF-VXGBXAGGSA-N 314.349 -0.018 30 20 DBED C=C[C@@](C)(CC)C(=O)NCCN(CCO)C(=O)Cn1cnnn1 1056931324 MJYOWSUXYGDZLK-AWEZNQCLSA-N 324.385 -0.788 30 20 DBED COC(=O)[C@@H]1C[C@H]1C(=O)N(CCO)CCNC(=O)C#CC1CC1 1057178365 VTIOYJQJGYMSLU-CHWSQXEVSA-N 322.361 -0.854 30 20 DBED CCc1n[nH]cc1C(=O)NCCN(CCO)C(=O)C#CC1CC1 1057539439 YBDRBFJKCFOZMQ-UHFFFAOYSA-N 318.377 -0.064 30 20 DBED C#CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)c1cc[nH]c1 1057583881 AKBFWGVMPPUNNL-LBPRGKRZSA-N 307.350 -0.396 30 20 DBED C=C[C@@H](C)[C@H](C)C(=O)N(CCO)CCNC(=O)CNC(C)=O 1058433815 YCVGQUCCTNEKKQ-NEPJUHHUSA-N 313.398 -0.482 30 20 DBED N#Cc1nccc(N2CC[C@@H](NC(=O)c3cnnc(O)c3)C2)n1 1058473238 SSOCYAKNLKEDRV-SNVBAGLBSA-N 311.305 -0.147 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)c1ncccc1F 1058542216 GQOGFXZHKSHCRB-JTQLQIEISA-N 308.313 -0.069 30 20 DBED CCn1nc(C)c(C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N)n1 1058663012 FOYXDPYICXIFTR-JTQLQIEISA-N 322.369 -0.683 30 20 DBED N#Cc1cc(C(=O)N2CC[C@@H](CCNC(=O)C(N)=O)C2)c[nH]1 1059505555 RDHKTUVMZGHBIP-SECBINFHSA-N 303.322 -0.660 30 20 DBED C#CCO[C@H](C)C(=O)N1CCOC[C@@H]1CNC(=O)CCOC 1061171840 IENLZZXPLNBWAA-OLZOCXBDSA-N 312.366 -0.595 30 20 DBED CCCN(C)CC(=O)N1CCOC[C@H]1CNC(=O)[C@H](C)C#N 1061847565 LZVCFUJFVKXOHK-CHWSQXEVSA-N 310.398 -0.169 30 20 DBED C#CCNC(=O)CC(=O)NC1(CNC(=O)C[C@H](C)OC)CCC1 1062678539 CJTCTCYORRTPEX-LBPRGKRZSA-N 323.393 -0.294 30 20 DBED COCC(=O)NCCC(=O)NCC1(NC(=O)[C@H](C)C#N)CCC1 1063329423 VGUHQRNJILNADM-LLVKDONJSA-N 324.381 -0.546 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCO[C@H](CNC(=O)c2cnco2)C1 1065092408 ICQFRISMLKYWGF-IAQYHMDHSA-N 323.349 -0.041 30 20 DBED C=CCO[C@H](C)C(=O)N1CCO[C@@H](CNC(=O)c2cn[nH]c2)C1 1065277677 AOSMEBIWTUNNSE-YPMHNXCESA-N 322.365 -0.042 30 20 DBED CC#CCCCC(=O)N1CCO[C@@H](CNC(=O)CNC(N)=O)C1 1065481610 ZEPSTLSSZNRHNP-LBPRGKRZSA-N 324.381 -0.808 30 20 DBED C=CCOCC(=O)N1CCC[C@@H](NC(=O)CNC(N)=O)CC1 1065824945 XIRRAYPWWDWYTE-LLVKDONJSA-N 312.370 -0.645 30 20 DBED C#CCOCCC(=O)N1CCC[C@H](NC(=O)CC(=O)NC)CC1 1066086188 AKBWUNYWJGOOPC-ZDUSSCGKSA-N 323.393 -0.340 30 20 DBED N#Cc1ccc(N2C[C@H](CNC(=O)c3ccc[nH]3)[C@@H](O)C2)nn1 1067655836 GUEJHUPGEQQSSV-GWCFXTLKSA-N 312.333 -0.097 30 20 DBED C=CC(C)(C)CC(=O)N1CCOC2(C1)CN(C(=O)C(N)=O)C2 1068400423 GKZBICRMTZBTPC-UHFFFAOYSA-N 309.366 -0.486 30 20 DBED C#CCO[C@H](C)C(=O)N1CC2(C[C@H](NC(=O)CCOC)CO2)C1 1068648068 JIUOGSBVMHEXEU-OLZOCXBDSA-N 324.377 -0.453 30 20 DBED CCC1(NC(=O)[C@H](C)C#N)CCN(C(=O)[C@H]2CNC(=O)N2)CC1 1069572651 AJLOWOJWKYQQKF-GHMZBOCLSA-N 321.381 -0.285 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CCCN(C(=O)[C@H]2CCC(=O)N2)C1 1070548154 DKIDQQAKEGKFRW-HSMVNMDESA-N 323.393 -0.301 30 20 DBED N#CCN1C[C@H]2C[C@H]3CN(C(=O)[C@@H]4CCCNC4=O)C[C@@]3(C1)O2 1070811006 GLPLAHRDYUINRO-VPWBDBDCSA-N 318.377 -0.662 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)c2cncn2C)CC1 1070979012 OGOGIBIZYQCQNF-UHFFFAOYSA-N 305.382 -0.130 30 20 DBED CN1CC[C@H](C(=O)N2CCC(=O)NCCN(CC#N)CC2)C1 1071021781 GGSYBBIDCWOBML-ZDUSSCGKSA-N 307.398 -0.888 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1C 1071919037 VYYNQFNFRWBWNQ-JOYOIKCWSA-N 317.349 -0.401 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(C(=O)Cc2nc[nH]n2)C[C@@H]1C 1072779079 ZAIVSVKPRJRFQO-NWDGAFQWSA-N 303.366 -0.030 30 20 DBED C=CCCC(=O)NCC[C@H](C)NC(=O)CN1C(=O)CNC1=O 1075885650 HVKQFXCQFNDVDS-JTQLQIEISA-N 310.354 -0.485 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCN(C(=O)CC)C2)C1 1077047898 WUMFKBXPUQPJMI-BFHYXJOUSA-N 309.410 -0.018 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)c2cnc3ccc(OC)nn23)C1 1077254087 LIVSHFADFMRLHM-ZYHUDNBSSA-N 317.349 -0.301 30 20 DBED N#Cc1ccccc1CN1C[C@@H](O)[C@H](NC(=O)c2nc[nH]n2)C1 1077863636 JLHQYHODVMSMIX-CHWSQXEVSA-N 312.333 -0.349 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)Cc2c(C)nc(O)nc2O)C1 1077886255 RNYUYBCHZPISII-VXGBXAGGSA-N 322.365 -0.524 30 20 DBED C=CCOCC(=O)N(CC)C1CN(C(=O)[C@@H]2CCNC(=O)C2)C1 1079490473 QLABTSYATQXNJX-GFCCVEGCSA-N 323.393 -0.226 30 20 DBED C#CCOCCC(=O)N(CC)C1CN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1079772215 LVVVXSYYNSVHGC-FOLVSLTJSA-N 320.389 -0.022 30 20 DBED N#CCSCC(=O)N1CCC(CO)(NC(=O)C(F)F)CC1 1080652886 AGHQPCXCCTWYCL-UHFFFAOYSA-N 321.349 -0.022 30 20 DBED O=C(C#CC1CC1)NC1(CO)CCN(C(=O)c2cn[nH]c2)CC1 1080853148 MYCGTVATMPMWPF-UHFFFAOYSA-N 316.361 -0.094 30 20 DBED C#CCOCCC(=O)NC[C@H]1CN(C(=O)CCC=C)C[C@@H]1O 1081489156 QLUQQIRHJKAAFP-KBPBESRZSA-N 308.378 -0.072 30 20 DBED C=CCN1C[C@@H](NC(=O)C[C@H]2CCS(=O)(=O)C2)[C@H](OC)C1 1081913386 XUPUIHGYXCSMLP-JHJVBQTASA-N 316.423 -0.187 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CCCCN1C(=O)[C@H]1CNC(=O)N1 1082260280 PSJJPMXKSKMOHH-QWHCGFSZSA-N 320.393 -0.176 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1nnn(C(C)(C)C)n1 1083089684 PUQJLGAEHDKPAL-NWDGAFQWSA-N 318.381 -0.414 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)C[C@@H]2COC(=O)C2)C1 1083406652 QNRLLNSIEDASFU-AXFHLTTASA-N 302.758 -0.147 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)c2cc(=O)c(OC)c[nH]2)C1 1083643678 USZNGJDJOSTROA-YPMHNXCESA-N 305.334 -0.818 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)c2cnc(C3CC3)nc2O)C1 1083839678 KWEKGCUDRUWMED-OLZOCXBDSA-N 316.361 -0.142 30 20 DBED C#Cc1ccc(C(=O)N2C[C@H]3CCN(CC(=O)NC)C[C@H]32)nc1 1084783549 WURODEPRWJNFEE-UKRRQHHQSA-N 312.373 -0.045 30 20 DBED CN(C[C@H]1CCN1Cc1nnn(C)n1)C(=O)c1cc(C#N)c[nH]1 1085534218 FNZAFMOTOITULJ-LLVKDONJSA-N 314.353 -0.244 30 20 DBED CC[C@@H]1[C@@H](NC(=O)c2cn(C)c(=O)nc2O)CCN1CC#N 1087827098 YJAASHJQHXSWNA-WDEREUQCSA-N 305.338 -0.408 30 20 DBED C[C@@H](C[C@@H](C)Nc1cnc(C#N)cn1)NC(=O)Cn1ncnn1 1089399755 HIBRDLSNOOOTAC-ZJUUUORDSA-N 315.341 -0.270 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2ccc(C(N)=O)o2)[C@@H](O)C1 1090415502 ATTYPELKXUDJQY-MNOVXSKESA-N 305.334 -0.433 30 20 DBED C#CCN1CC[C@@H](NC(=O)Cc2c(C)nn(C)c2C)[C@@H](O)C1 1090463637 OIZLNKCBJNVHDF-CABCVRRESA-N 304.394 -0.236 30 20 DBED COCCn1cc(C(=O)N[C@H]2CCN(CC#N)C[C@H]2O)cn1 1090764459 ROEZALXCSGQQIZ-QWHCGFSZSA-N 307.354 -0.782 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)[C@@H](O)C1 1090794349 OZXTXLXGCWJUJQ-NEPJUHHUSA-N 324.381 -0.992 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1091081878 PSUWBXOUSHYHKF-MNOVXSKESA-N 303.322 -0.783 30 20 DBED CC(C)[C@@H](O)C(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@@H]1O 1091092164 ZARQNOWXLQUWID-KWCYVHTRSA-N 304.350 -0.364 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(c2ncc(F)cn2)C[C@@H]1O 1091153281 ZBLBOBMDFQABKS-WCQGTBRESA-N 308.313 -0.680 30 20 DBED CN(C)C(=O)CC(=O)N1CCN(c2cnc(C#N)cn2)CC1 1093200235 DVPWRCBYDIUPKI-UHFFFAOYSA-N 302.338 -0.525 30 20 DBED N#Cc1ccc(N2C[C@@H]3C(NC(=O)CNC(N)=O)[C@H]3C2)nc1 1093209929 JBWFLFOZZHUVFR-UWVGGRQHSA-N 300.322 -0.828 30 20 DBED N#Cc1nccnc1N1C[C@@H]2C(NC(=O)CCc3nc[nH]n3)[C@H]2C1 1093239684 MYAGTJCSDDPVJA-UWVGGRQHSA-N 324.348 -0.350 30 20 DBED C#CCOCCC(=O)N[C@H]1[C@@H]2CN(c3ccnc(C#N)n3)C[C@@H]21 1093310420 IJFJHXFXWVVEPJ-ATCWAGBWSA-N 311.345 -0.061 30 20 DBED C#CCCN1CC(OC2CCN(C(=O)[C@H]3CCC(=O)N3)CC2)C1 1093515997 CCWWDGFQLMKCAC-OAHLLOKOSA-N 319.405 -0.020 30 20 DBED CC(=O)N[C@](C)(C(=O)NCCN=c1cc[nH]c(C#N)n1)C(C)C 1093689436 XJWNCNKCXGEDIN-HNNXBMFYSA-N 318.381 -0.151 30 20 DBED CO[C@H](C(=O)NCCN=c1cc[nH]c(C#N)n1)[C@H]1CCOC1 1094011155 ATUUZIRDCTUSFP-GWCFXTLKSA-N 305.338 -0.650 30 20 DBED CCc1nc(C#N)cc(NCCNC(=O)[C@@H]2CC[C@H]2C(N)=O)n1 1094034394 KKLSWCPHVMQNOV-GHMZBOCLSA-N 316.365 -0.050 30 20 DBED C[C@@H]1CCCN(C(=O)C(=O)NCCN=c2cc[nH]c(C#N)n2)C1 1094154408 CWBPHOSNIHESIW-LLVKDONJSA-N 316.365 -0.443 30 20 DBED C#CCN1CCN(C(=O)c2cccnc2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094599433 JSZKMLJJIQWPKP-UONOGXRCSA-N 319.386 -0.362 30 20 DBED N#Cc1nc(=NCCCNC(=O)[C@@H]2CCCCC(=O)N2)cc[nH]1 1094780201 OVCUQOJJTALERS-NSHDSACASA-N 316.365 -0.253 30 20 DBED CC(=O)N(C)CC(=O)N1CCCN(c2cncc(C#N)n2)CC1 1095162945 BOYHCIHFMMVXSL-UHFFFAOYSA-N 316.365 -0.135 30 20 DBED C#CCN(CCO)C1CCN(C(=O)[C@H]2CC(=O)N(C)C2)CC1 1098384427 VGFAMFZGJAWKNI-ZDUSSCGKSA-N 307.394 -0.617 30 20 DBED C=CCN(CCO)C1CCN(C(=O)C(=O)NCC(F)F)CC1 1098414838 IDENIRRGGVSKQY-UHFFFAOYSA-N 319.352 -0.161 30 20 DBED N#Cc1nc(=N[C@@H]2CCC[C@@H](NC(=O)CNC(N)=O)C2)cc[nH]1 1098590483 TVNNVFXJPKWKAB-NXEZZACHSA-N 317.353 -0.722 30 20 DBED CC(C)CCC(=O)N[C@@H]1CCN(CC(=O)NCC#N)C[C@H]1O 1099663795 SQASBDUKBPZNHM-CHWSQXEVSA-N 310.398 -0.386 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)/C=C(\C)CC)[C@H](O)C1 1099817662 CWIGWUOLOIPNOV-UYEGUDHTSA-N 307.394 -0.357 30 20 DBED C=C(C)CCN1CC[C@H](NC(=O)CCS(C)(=O)=O)[C@H](O)C1 1099895102 ULJVDIFKQIDGSN-QWHCGFSZSA-N 318.439 -0.061 30 20 DBED N#CCN1CC[C@H](NC(=O)CCCCc2cnn[nH]2)[C@H](O)C1 1099933670 SAUUZTYJCXMXJR-QWHCGFSZSA-N 306.370 -0.408 30 20 DBED CN(CCNC(=O)[C@@H]1CCS(=O)(=O)N1)c1ncccc1C#N 1100120525 COFTYFAQLHJYGP-NSHDSACASA-N 323.378 -0.803 30 20 DBED COCC#CCNC1CC(CNC(=O)CCn2ccnn2)C1 1100278434 USISWEARHWYKNR-UHFFFAOYSA-N 305.382 -0.198 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CC(CNC(=O)CN(CC)CC)C1 1100770922 QBGJPWDPKGCMPQ-WLYUNCDWSA-N 322.453 -0.050 30 20 DBED COC(=O)NCC(=O)NC[C@@H]1CCCN1c1ccnc(C#N)n1 1100802618 QQNQPUOZMBLXQR-JTQLQIEISA-N 318.337 -0.211 30 20 DBED N#Cc1nccnc1N1CCC[C@H]1CNC(=O)Cn1cncn1 1100833663 YIZBGULKIVJHCL-NSHDSACASA-N 312.337 -0.275 30 20 DBED CNC(=O)CC(=O)N1C[C@@H]2CC[C@H](C1)N2c1ccc(C#N)nn1 1102192123 FPWQNTKRDFAWGF-TXEJJXNPSA-N 314.349 -0.336 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H](C)CNc1cncc(C#N)n1 1103956228 MYMVJEIDCNUHQS-NSHDSACASA-N 314.349 -0.348 30 20 DBED C#CCNCC[C@@H]1CN(C(=O)CN(C)C(=O)COC)C[C@H]1C 1104257972 LOLJBLHVUDAMRU-ZIAGYGMSSA-N 309.410 -0.201 30 20 DBED COC[C@H](C)C(=O)NC[C@H]1CN(c2ccc(C#N)nn2)CCO1 1104310191 PSZJMLZWHINMSL-AAEUAGOBSA-N 319.365 -0.048 30 20 DBED C[C@@H](CN=c1cc[nH]cc1C#N)N(C)C(=O)[C@@H]1COC(=O)N1 1104546200 ZLRRUOWSSNOTLL-CABZTGNLSA-N 303.322 -0.258 30 20 DBED N#Cc1nc(=NC[C@@H](NC(=O)C(N)=O)C2CCCCC2)cc[nH]1 1105021669 DFCOXNRVSUPEIG-LLVKDONJSA-N 316.365 -0.268 30 20 DBED CC#CCNCc1cn(C2CN(C(=O)CCN(C)C)C2)nn1 1105321161 XNLAEOBXTSHIKD-UHFFFAOYSA-N 304.398 -0.274 30 20 DBED C=CCOCC(=O)NC[C@@H](O)CNc1ncnc2c1cnn2C 1105746445 CVYKVMCDKYRKHY-SNVBAGLBSA-N 320.353 -0.545 30 20 DBED CN1CC[C@@H](C(=O)NC[C@@H](O)CNc2ccc(C#N)nc2)C1 1105853098 HELKIPGEBBETIF-RISCZKNCSA-N 303.366 -0.206 30 20 DBED C=C[C@](C)(O)CC(=O)N1C[C@@H](C)[C@H](CNCc2nnnn2C)C1 1106059388 TWZIGAWFSHLAOS-JMSVASOKSA-N 322.413 -0.279 30 20 DBED C=CCNC(=O)CNC[C@@H]1CN(C(=O)[C@@H]2CCNC2=O)C[C@H]1C 1106522138 DYUXTQRCSVYZCH-JHJVBQTASA-N 322.409 -0.891 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)[C@H]1CN(C)CCO1 1106709929 NFHIIXIFYVLHJZ-GFCCVEGCSA-N 318.381 -0.639 30 20 DBED CCN(CCNc1cncc(C#N)n1)C(=O)[C@H]1CN(C)C(=O)N1 1106906992 PEODEKXUTGRANW-LLVKDONJSA-N 317.353 -0.368 30 20 DBED CN(C)C(=O)CC(=O)NC/C=C/CN=c1cc[nH]c(C#N)n1 1107537206 AIDNNEJFZGWCDK-ONEGZZNKSA-N 302.338 -0.667 30 20 DBED C[C@H](C#N)C(=O)NC[C@@]1(C)CN(Cc2nnn(C)n2)CCO1 1107818772 FPHUQNOHWKOLPS-MFKMUULPSA-N 307.358 -0.923 30 20 DBED C[C@@]1(CNC(=O)[C@H]2CCCN(C(N)=O)C2)CN(CC#N)CCO1 1108057341 GTGARXIICRIJJY-SWLSCSKDSA-N 323.397 -0.492 30 20 DBED CC#CCN1CCO[C@@](C)(CNC(=O)[C@H]2CCC(=O)N2C)C1 1108157405 VUSWMDKHQKVCBY-CJNGLKHVSA-N 307.394 -0.162 30 20 DBED C[C@@H](CNc1ccc(C#N)nn1)NC(=O)[C@@H]1COCCN1C 1108319897 LNBCSTYNVHDJJX-JQWIXIFHSA-N 304.354 -0.405 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)[C@H]2CCN(C(C)=O)C2)C1 1108369100 JVQCRGNVXWOILP-GOEBONIOSA-N 307.394 -0.305 30 20 DBED CC(=O)NC(C)(C)C(=O)N[C@@H](C)CN=c1cc[nH]c(C#N)n1 1108444792 GAZJDOLLJVVAPW-VIFPVBQESA-N 304.354 -0.399 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)[C@H]1CCN(C)C(=O)C1 1108771606 LDGZADHQSWVVLW-QWRGUYRKSA-N 316.365 -0.445 30 20 DBED C[C@@H](CN(C)c1ccc(C#N)nn1)NC(=O)[C@@H]1COCCN1C 1108943232 OFKACKXQIKHGDH-AAEUAGOBSA-N 318.381 -0.380 30 20 DBED C[C@@H](CN(C)c1ccc(C#N)nc1)NC(=O)c1nnn(C)n1 1109179223 NQQCLZXNHREVET-VIFPVBQESA-N 300.326 -0.269 30 20 DBED C[C@@H](CN(C)c1cncc(C#N)n1)NC(=O)[C@@H]1CN(C)C(=O)N1 1109194897 XQWLFMUHIFMITD-ONGXEEELSA-N 317.353 -0.687 30 20 DBED CNC(=O)CC(=O)N[C@H]1[C@H]2C[C@H]1N(c1ncc(C#N)cc1F)C2 1109699818 SOYMDDFYRSGPGI-PXWWUCIGSA-N 317.324 -0.078 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@]12COC[C@@H]1C2 1110577372 FZRQYVFPNRINMZ-SMRWVPHVSA-N 317.389 -0.506 30 20 DBED COCC[C@@H](C)C(=O)N(CCO)CCN=c1cc[nH]c(C#N)n1 1111477583 PLYDLXNFDQAYDU-GFCCVEGCSA-N 321.381 -0.324 30 20 DBED COCC#CCN1C[C@@H]2CCC[C@]2(NC(=O)Cn2cnnn2)C1 1111581527 YWLUOUKIBIMVMW-ZFWWWQNUSA-N 318.381 -0.706 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)c2ccnn2C)CC1 1112669104 OTGLHBWPQQXNLX-LBPRGKRZSA-N 305.382 -0.131 30 20 DBED COCC(=O)NC[C@@H]1CN(c2snc(C)c2C#N)C[C@H]1O 1112693131 XNOGBMQJUMNCBC-MWLCHTKSSA-N 310.379 -0.117 30 20 DBED CNC(=O)CC(=O)NC[C@@H]1CN(c2ccc(C#N)nc2)C[C@@H]1O 1112709145 FWKVTEKDBXMDII-MFKMUULPSA-N 317.349 -0.997 30 20 DBED C#CCNC(=O)CC(=O)N1CCN(Cc2cscn2)CC1 1112779391 XUWUXCMQGCIZQB-UHFFFAOYSA-N 306.391 -0.073 30 20 DBED C[C@H](Nc1nccnc1C#N)[C@@H](C)NC(=O)CS(C)(=O)=O 1112926269 QXMXNVUXNTYZQD-BDAKNGLRSA-N 311.367 -0.302 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)[C@@H](C)Nc1nccnc1C#N 1112977743 FLUAUEMQGXXQTF-WDEREUQCSA-N 314.349 -0.207 30 20 DBED C[C@@H](N=c1cc[nH]cc1C#N)[C@@H](C)NC(=O)C1(C(N)=O)CC1 1113274767 VMUSVJKWKDSPKU-NXEZZACHSA-N 301.350 -0.054 30 20 DBED C#CCN1CCC(C(=O)N2CCN(C[C@H](O)COC)CC2)CC1 1113677854 UFGLIZQEXHFOJJ-INIZCTEOSA-N 323.437 -0.517 30 20 DBED N#CCNC(=O)CN1C[C@H]2C(NC(=O)CC[C@@H]3CCCO3)[C@@H]2C1 1113890799 HKOCUIKYQHEODO-YNEHKIRRSA-N 320.393 -0.368 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)Cc3ccon3)[C@@H]2C1 1114079346 GTQWINZZWRVEMQ-VXGBXAGGSA-N 302.334 -0.987 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)CC[C@@H]3CCOC3)[C@@H]2C1 1114134701 OPWQRIOEOGJPJX-MGPQQGTHSA-N 319.405 -0.401 30 20 DBED CN(C)[C@@H](Cn1cccn1)C(=O)N[C@H]1[C@@H]2CN(CC#N)C[C@@H]21 1114405493 TZGHKQRBTZSBLT-RFQIPJPRSA-N 302.382 -0.617 30 20 DBED Cc1nnccc1C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1114524213 QKMIMBZOFUEWHA-IMRBUKKESA-N 314.349 -0.915 30 20 DBED Cc1n[nH]cc1C(=O)NC1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]12 1114658821 XPNZXUWNSKSQHH-GHMZBOCLSA-N 302.338 -0.982 30 20 DBED C=C(C)CN(CC)C(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)C(N)=O)[C@H]2C1 1114754631 FHRVJKSXJLHFLR-NDBYEHHHSA-N 322.409 -0.669 30 20 DBED Cc1ccc(C#N)c(N(C)CCOCCNC(=O)CC(N)=O)n1 1115200033 KCOUTNRLBZBBNM-UHFFFAOYSA-N 319.365 -0.294 30 20 DBED CC(=O)N[C@H](C)C(=O)N(C)C[C@H](C)N=c1cc[nH]c(C#N)n1 1115636216 MHKTUZMVDWDJNZ-VHSXEESVSA-N 304.354 -0.446 30 20 DBED C[C@H](CN(C)C(=O)[C@@H]1COC(=O)N1)Nc1cnc(C#N)cn1 1115702253 DMJOQDCTSVDXRO-SCZZXKLOSA-N 304.310 -0.285 30 20 DBED C#CCCCNC(=O)C(=O)N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1117383122 XYOJBNQOFKSZHS-NSHDSACASA-N 320.349 -0.989 30 20 DBED CCCCO[C@@H](C)C(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1 1121279049 NMTUAPPGXKMMMA-RYUDHWBXSA-N 321.381 -0.136 30 20 DBED N#Cc1cccnc1N[C@@H](CO)CNC(=O)c1cncnc1O 1122170724 OATRVESVCBVRIL-SNVBAGLBSA-N 314.305 -0.348 30 20 DBED N#Cc1cncc(N[C@@H](CO)CNC(=O)c2cncnc2O)n1 1122170943 VUIDRSVIYPRPFL-SECBINFHSA-N 315.293 -0.953 30 20 DBED CNC(=O)NCC(=O)N1CC[C@H](Nc2cncc(C#N)n2)[C@H]1C 1123109095 IULXQNLMSHUGQN-KOLCDFICSA-N 317.353 -0.321 30 20 DBED CC(=O)N[C@H](C)C(=O)N(C)C[C@H](O)CNc1ccc(C#N)nc1 1124060124 RXNYQQDKWDKAEM-QMTHXVAHSA-N 319.365 -0.291 30 20 DBED C=CCCO[C@@H](C)C(=O)NCCNC[C@@H](O)COCCOC 1124488769 UHUACGNSZOOMSV-UONOGXRCSA-N 318.414 -0.303 30 20 DBED CN(C[C@@H](O)CNc1ccc(C#N)nc1)C(=O)[C@H]1C[C@H]1C(N)=O 1124768958 AVIPAGJGIUQQTI-XQQFMLRXSA-N 317.349 -0.694 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CCCc2n[nH]cc21 1127339304 WBDDXGNXSVIPRV-VXGBXAGGSA-N 317.393 -0.327 30 20 DBED C=CCN1CCn2ncc(CNC(=O)C3(C(N)=O)CC3)c2C1 1128476725 ZGILLHJUPIMNSR-UHFFFAOYSA-N 303.366 -0.234 30 20 DBED CC[C@@H](NC(C)=O)C(=O)NCc1cnn2c1CN(CC#N)CC2 1128498487 DPUXQXANGCUVOM-CYBMUJFWSA-N 318.381 -0.247 30 20 DBED C=C(C)CN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H](C)NC(C)=O)C1 1128653381 YUCAJDUOKDAPFH-YUTCNCBUSA-N 320.397 -0.280 30 20 DBED CN(C)C1(C(=O)N[C@@H]2CN(CC#N)C[C@@H]2n2ccnn2)CCC1 1129043117 IBBJEBJCIXUGBD-OLZOCXBDSA-N 317.397 -0.373 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1n[nH]cc1C(F)(F)F 1129181854 QMTFZFRPBSMDJQ-UHFFFAOYSA-N 317.271 -0.503 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)[C@H]1CN(C)C[C@@H](C)O1 1130184334 MCVULGPHNMHURF-FRRDWIJNSA-N 312.414 -0.898 30 20 DBED CCN(C)CCC(=O)N[C@H]1CC[C@@H](C)N(CC(=O)NCC#N)C1 1132409723 DCJVWXCAWUBPSL-KGLIPLIRSA-N 323.441 -0.063 30 20 DBED COc1ccc(C#N)cc1CNCCNC(=O)[C@H]1CNC(=O)N1 1133129269 XNAYNCFQCCXRDR-GFCCVEGCSA-N 317.349 -0.546 30 20 DBED C[C@@H]1CCN(C(=O)CN2C(=O)CCC2=O)C[C@H]1CNCC#N 1133301011 CJHKEHUYHXFBMN-VXGBXAGGSA-N 306.366 -0.267 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)[C@@H]1CC12CCC2 1134445392 XQIOHEGOALEMFW-NSHDSACASA-N 308.382 -0.106 30 20 DBED COCC#CCN[C@@H](C)C[C@H](C)NC(=O)CN1CCCNC1=O 1134848299 MYQJEGPJSIJUOG-KBPBESRZSA-N 324.425 -0.076 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)COCC(F)F 1135071450 TUVCWRNGLBNJLX-WDEREUQCSA-N 319.352 -0.110 30 20 DBED C=CCCN[C@@H](C)C[C@H](C)NC(=O)CN1C(=O)C(=O)N(C)C1=O 1135593640 SLKDZWAZEYIEFD-QWRGUYRKSA-N 324.381 -0.144 30 20 DBED N#CCNC(=O)CN1CCC2(C1)CN(C(=O)c1cccnc1)C2 1146880172 CGSRVLCIFGASLD-UHFFFAOYSA-N 313.361 -0.131 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)CN(C)CCC)C2 1148647074 MWIMMDCMOPGYDC-UHFFFAOYSA-N 320.437 -0.388 30 20 DBED CC1CC(C(=O)NC[C@@H]2CN(CC(=O)NCC#N)CCCO2)C1 1149496764 LOZDAMMMPPGOHX-JXQTWKCFSA-N 322.409 -0.121 30 20 DBED COCCC1(NC(=O)[C@@H]2CC(=O)N(C)C2)CCN(CC#N)CC1 1151150193 MYHUKKUENIJYOR-CYBMUJFWSA-N 322.409 -0.024 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CCc2c[nH]nc2C1 1151730753 WEHRCKZDTRNNOF-NEPJUHHUSA-N 317.393 -0.642 30 20 DBED C=CCNC(=O)CNCCCNC(=O)C[C@H]1CCN(C)C1=O 1160592254 OQPGPWTWTTZEDM-GFCCVEGCSA-N 310.398 -0.747 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)[C@@]1(C)CNC(=O)C1 1163089223 OACTWXOTJOHXSG-IAQYHMDHSA-N 310.398 -0.701 30 20 DBED Cn1cnc(C(=O)NCCC2(CNCC(=O)NCC#N)CC2)c1 1164069671 ASKGIOUGZSTYNO-UHFFFAOYSA-N 318.381 -0.450 30 20 DBED C#CCNCCCC[C@@H](C)NC(=O)CC[C@@H]1NC(=O)NC1=O 1176487896 XKHZSLGOBBWBKZ-NEPJUHHUSA-N 308.382 -0.128 30 20 DBED N#CCNC(=O)CN1CCO[C@H]2CCN(C(=O)C3CC3)C[C@H]21 1176870667 HEPLIIXCNCRJLA-OLZOCXBDSA-N 306.366 -0.662 30 20 DBED C#CCOCCC(=O)N1CC[C@H]2OCCN(CCOC)[C@@H]2C1 1177012844 MZLZLBAFYKUSHT-HUUCEWRRSA-N 310.394 -0.026 30 20 DBED N#CCN1CCO[C@H]2CCN(C(=O)CCCn3cncn3)C[C@@H]21 1177126419 ZFRGBSRUQKBFDK-KBPBESRZSA-N 318.381 -0.116 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@@H](NCC(=O)NC(N)=O)C2)cc1 1184779633 ZZZQMZFCKRZNMQ-CYBMUJFWSA-N 314.345 -0.333 30 20 DBED N#CCN[C@@H]1CCN(C(=O)CNC(=O)NCc2ccco2)C1 1188092208 QUHZBMOAKDRFPE-LLVKDONJSA-N 305.338 -0.207 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)Cn2cccn2)C1 1188863579 UDGPWIYNEGOQDX-CYBMUJFWSA-N 303.366 -0.835 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](N(C)[C@@H]2CCC(=O)NC2=O)C1 1190129221 RLLMECSOARKGBA-CHWSQXEVSA-N 321.377 -0.636 30 20 DBED CCO[C@@H](C(=O)N1CC[C@H](N(C)CC(=O)NCC#N)C1)C1CC1 1190203301 KHUYDSQBDIHKLU-DZGCQCFKSA-N 322.409 -0.026 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)CCSC)C1 1190930531 VSBNRELXIMONIJ-IJLUTSLNSA-N 315.439 -0.409 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(CCCc2nc(C)no2)C[C@H]1O 1191770631 GSFJIMHFLMKPOR-CHWSQXEVSA-N 324.381 -0.325 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)c2cc(C)co2)C1 1195483940 NHUCSYNQDDUPCN-YNEHKIRRSA-N 319.361 -0.499 30 20 DBED CCC[C@@H](CC)C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1O 1197267358 STQJWLAUSXALQX-JHJVBQTASA-N 310.398 -0.386 30 20 DBED C#CCCN1CCCN(C(=O)[C@@H](C)NS(C)(=O)=O)CC1 1197277433 HILOQFDCZMIIJD-GFCCVEGCSA-N 301.412 -0.518 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(NCCCN2C(=O)CNC2=O)CC1 1199815412 BFRIBYZGADSKRS-NSHDSACASA-N 321.381 -0.331 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)CN2CCCNC2=O)CCCO1 1200880245 HFWWWXOLQASTHF-CQSZACIVSA-N 322.409 -0.368 30 20 DBED CC(=O)N1CC[C@@](C)(C(=O)N2CCCO[C@H](CNCC#N)C2)C1 1201800639 NCCDOCJXJZTEBT-GDBMZVCRSA-N 322.409 -0.024 30 20 DBED COC[C@@H](O)CN1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@H](C)C1 1206880982 LADNVXUKQGNMJI-DDTOSNHZSA-N 306.366 -0.056 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@H]2CCCOC2)C1 1207636318 SHOGIJITHWJOOE-UONOGXRCSA-N 307.394 -0.257 30 20 DBED C#CCN1C[C@@H](NC(=O)CCc2nnc(O)nc2O)[C@H](C)C1 1207857676 JKDNWDANNUPXPB-MWLCHTKSSA-N 305.338 -0.715 30 20 DBED C#CCOCCC(=O)N1CCC[C@@H](N[C@H]2CCCNC2=O)C1 1208032556 SRIQBAYEMPTVBK-KGLIPLIRSA-N 307.394 -0.115 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)c2[nH]c(O)nc2C)C1 1208381190 PEMGEBQHPUNMQL-NSHDSACASA-N 319.365 -0.633 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2[nH]c(C)nc2C)[C@H](C)C1 1208667809 DOTQQLZIEWZEDI-ZWNOBZJWSA-N 317.393 -0.174 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)c2cn(C)c(O)n2)C1 1209431097 FRMYZMSLDQWGQA-NSHDSACASA-N 321.381 -0.378 30 20 DBED CN1CC[C@H](CC(=O)N2CCC[C@@H](NCC(=O)NCC#N)C2)C1 1210674270 QKWYEYCEKFMHIH-ZIAGYGMSSA-N 321.425 -0.451 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)CN(C)C(C)C)[C@H](C)C1 1211369944 VMBXTSQSIKOWJM-ZIAGYGMSSA-N 308.426 -0.488 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)CO[C@H](C)CC)C[C@H]1C 1214459146 QIJVQQHEPGHXOC-MGPQQGTHSA-N 309.410 -0.013 30 20 DBED C=C(C)CN[C@@H]1CN(C(=O)[C@@H](C)NS(C)(=O)=O)C[C@H]1C 1215685641 SXCWUQNCRHTKIV-IJLUTSLNSA-N 303.428 -0.063 30 20 DBED CCOCCO[C@H](C)C(=O)N1CCO[C@@H]2CN(CC#N)C[C@@H]21 1219049404 MCXDKMLFEAPKDL-HZSPNIEDSA-N 311.382 -0.137 30 20 DBED Cc1nc(CN2C[C@H](O)[C@H](NC(=O)CSCC#N)C2)co1 1219216027 BGGGSCZTMMUNEE-NEPJUHHUSA-N 310.379 -0.099 30 20 DBED CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(CC#CCOC)C[C@@H]2O)CCN1C 1219660937 OHRJWNCTUPJCOM-JJXSEGSLSA-N 323.437 -0.472 30 20 DBED C=C[C@H](CC)CC(=O)N[C@@H]1CN(CCN2CCNC2=O)C[C@@H]1O 1220206138 ZIEXQYJGEQICTO-MCIONIFRSA-N 324.425 -0.225 30 20 DBED COCC(=O)N[C@H](C)C(=O)N1CC[C@H]2CCN(CC#N)[C@H]2C1 1222745351 DHCAFDHXEWPVGL-UPJWGTAASA-N 308.382 -0.416 30 20 DBED C#CCNC(=O)CC(=O)NCC1CCN(Cc2cnon2)CC1 1222907561 PUNFHKWPDNIPLA-UHFFFAOYSA-N 319.365 -0.463 30 20 DBED CC#CCN[C@@H]1CCCC[C@H]1NC(=O)CCNS(C)(=O)=O 1226580340 WDZXHJWWEYOGPG-CHWSQXEVSA-N 315.439 -0.034 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC(NC(=O)c2ncn(C)n2)CC1 1227182927 GYYLBFWVHICMIB-NSHDSACASA-N 318.381 -0.853 30 20 DBED N#CCNC(=O)CN1CCC(NC(=O)Cc2cncs2)CC1 1227890483 KQBUCTNAAIUXHB-UHFFFAOYSA-N 321.406 -0.094 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)c2cnn(C)n2)CC1 1229592883 LLIXQFMUGFKLJR-UHFFFAOYSA-N 306.370 -0.689 30 20 DBED CCO[C@H](C)C(=O)NCC[C@@H]1CN(CC#N)CCS1(=O)=O 1230425706 QPAHSUZINYOHRI-VXGBXAGGSA-N 317.411 -0.460 30 20 DBED C[C@@H]1CN2CCN1C[C@H]2C(=O)NCCNc1ccc(C#N)cn1 1263706764 MTRYCCKKGFQOJE-OCCSQVGLSA-N 314.393 -0.130 30 20 DBED N#Cc1cccc(CNC(=O)C(=O)NCCNC(=O)C2CC2)c1 1323081720 PZPLSOOUCQZSJD-UHFFFAOYSA-N 314.345 -0.183 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCO[C@@H](c2ccco2)C1 1323697988 FJZNDOHNYQSKQN-CYBMUJFWSA-N 306.318 -0.055 30 20 DBED C#CCNC(=O)CNC[C@H]1CCCN1C(=O)c1cccc(O)n1 1324127532 BTWMIVXCQSUKDP-GFCCVEGCSA-N 316.361 -0.269 30 20 DBED N#CC1(NC(=O)COC(=O)CCn2cnccc2=O)CCC1 1324159144 PCFNRKHOWCQPAQ-UHFFFAOYSA-N 304.306 -0.261 30 20 DBED N#CCOc1cc(F)ccc1NC(=O)C(=O)NC1(C(N)=O)CC1 1324877987 GGZUGSRFXAXFII-UHFFFAOYSA-N 320.280 -0.199 30 20 DBED CC(=O)Nc1ccc(OC[C@@H](O)CNCC(=O)NCC#N)cc1 1326159228 HHGUFXDYJMYAJL-ZDUSSCGKSA-N 320.349 -0.386 30 20 DBED CC1(C)CN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)CC[C@@H]1O 1326241577 SCYMIAQCNJKUGA-NHYWBVRUSA-N 309.366 -0.517 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)NCCCCS(C)(=O)=O 1326704206 GMPNUNLLBRLCBW-SNVBAGLBSA-N 306.384 -0.755 30 20 DBED C#CCOCCNC(=O)C(=O)N[C@H]1COc2ccccc2C1 1327696186 JYCVPJIRTKEYNB-CYBMUJFWSA-N 302.330 -0.128 30 20 DBED N#CCNC(=O)CNC(=O)N1CC[C@H](CN2CCCC2=O)C1 1327740518 JQBUSDYJEKLACY-LLVKDONJSA-N 307.354 -0.720 30 20 DBED C[C@H](CNC(=O)C(=O)N1CC[C@@](O)(CC#N)C1)CN1CCCC1 1328258052 VPPSNHCQZTVQGA-CJNGLKHVSA-N 322.409 -0.288 30 20 DBED COC(=O)[C@@]1(C)CCN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)C1 1328427118 RMTPRISVAFMIAK-LSDHHAIUSA-N 323.349 -0.725 30 20 DBED C=CCN1CCC(NC(=O)C(=O)NCc2nccn2C)CC1 1328584891 JPBYZKWJBOHLMI-UHFFFAOYSA-N 305.382 -0.197 30 20 DBED C[C@@]1(O)CCCN(C(=O)C(=O)N2CCN(CCC#N)CC2)CC1 1329842630 GFAOSEBENPVHHM-MRXNPFEDSA-N 322.409 -0.192 30 20 DBED CC(C)C[C@@H]1CN(C)CCN1C(=O)C(=O)N1CCO[C@H](C#N)C1 1335137217 NYIAMNKJNCYJAQ-ZIAGYGMSSA-N 322.409 -0.074 30 20 DBED C=CCn1c([C@@H]2CNC(=O)C2)nnc1N(C)C[C@H]1COCCO1 1338001517 AMXIBMRZZIZUCR-RYUDHWBXSA-N 321.381 -0.081 30 20 DBED C=CCn1c(CN2CCCC2=O)nnc1N1CCCNC(=O)C1 1340237531 BBDSMEIEZAXXCM-UHFFFAOYSA-N 318.381 -0.087 30 20 DBED C=CCOCCn1nnnc1N1CCCS(=O)(=O)CC1 1344013414 PMMGWZAJNMHEGX-UHFFFAOYSA-N 301.372 -0.499 30 20 DBED C#CCN(C)c1nnc(CS(C)(=O)=O)n1C[C@H]1CCOC1 1345398311 KSWXZRRQFWTDDA-LLVKDONJSA-N 312.395 -0.071 30 20 DBED C[C@@]1(C(N)=O)CCN(C(=O)C(=O)Nc2cccc(C#N)n2)C1 1345813890 ZSNRFIHEULGNMR-CQSZACIVSA-N 301.306 -0.384 30 20 DBED CC1CCN(CCNC(=O)C(=O)N2CC[C@](O)(CC#N)C2)CC1 1345841272 WHBLYEYDZOUSOB-MRXNPFEDSA-N 322.409 -0.288 30 20 DBED N#Cc1ccc(NC(=O)C(=O)NCCNc2cnccn2)nc1 1347656863 FUJJIPRMZIIOLC-UHFFFAOYSA-N 311.305 -0.090 30 20 DBED C#CCOCCN(C)C(=O)Cn1cccc(C(=O)OC)c1=O 1347674253 YGJHKKYDUYDKIE-UHFFFAOYSA-N 306.318 -0.257 30 20 DBED CS(=O)(=O)N1CCC[C@H](C(=O)NC2(C#N)CCOCC2)C1 1352366415 OOQJCAYFFMRARA-NSHDSACASA-N 315.395 -0.153 30 20 DBED C[C@H](CN1CCCCC1)NC(=O)Cn1cc(C#N)c(O)nc1=O 1361913015 LYAFLHINZYTHFI-LLVKDONJSA-N 319.365 -0.189 30 20 DBED Cc1onc(CC(=O)NC2CCN(CC(N)=O)CC2)c1C#N 1362733373 ZZNCQYTUTVVELU-UHFFFAOYSA-N 305.338 -0.537 30 20 DBED CC(C)(CC#N)CNC(=O)NC[C@@]1(O)CCS(=O)(=O)C1 1365196991 ZFFNRINHMLUKHJ-LBPRGKRZSA-N 303.384 -0.225 30 20 DBED N#Cc1nccnc1NC[C@@H]1CCN(C(=O)Cn2cncn2)C1 1365713025 CETISUCLZPXOFM-NSHDSACASA-N 312.337 -0.100 30 20 DBED CNC(=O)NCCC(=O)N1CCC(CNC(=O)[C@H](C)C#N)CC1 1385446337 ODWRYNVIPDAJDO-LLVKDONJSA-N 323.397 -0.180 30 20 DBED CC[C@@H](CNC(=O)CN(C)C(C)=O)NC(=O)c1ccc(C#N)[nH]1 1390236231 OBFVUSSDKNQNJJ-NSHDSACASA-N 319.365 -0.011 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)C[C@H]2CCN(C)C2=O)CC1 1393692692 AVESYIWIPGIXBV-GHMZBOCLSA-N 306.366 -0.221 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1cc(C2CC2)[nH]n1 1399877722 VZVVAFHIKYAMBW-SCZZXKLOSA-N 305.338 -0.346 30 20 DBED COC(=O)NCC(=O)N(C)[C@H](C)CNC(=O)c1cc(C#N)c[nH]1 1411524046 OZRFIRVDYLLNFQ-SECBINFHSA-N 321.337 -0.181 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CC[C@H](NC(=O)CCNC(N)=O)CC1 1416395180 YTEVPQDLAXWVPB-GMTAPVOTSA-N 309.370 -0.252 30 20 DBED CCS(=O)(=O)C[C@H](C)Nc1[nH]c(=O)n(C)c(=O)c1C#N 1421086063 ZGGYBBYJGOEVES-ZETCQYMHSA-N 300.340 -0.820 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCN(C)C(=O)c1nc2ncccn2n1 1433191878 GGPSTAPVFUSBGB-JTQLQIEISA-N 315.337 -0.186 30 20 DBED CCN(CCNC(=O)CCNS(C)(=O)=O)C(=O)[C@H](C)C#N 1449398231 AFVNWBUCSYLNGO-SNVBAGLBSA-N 318.399 -0.950 30 20 DBED C[C@@H](C#N)C(=O)NCC1CCN(C(=O)C2(NC(N)=O)CC2)CC1 1453825031 XQEGLQNZXHAMAT-JTQLQIEISA-N 321.381 -0.298 30 20 DBED CCC(CC)(NC(=O)Cn1cc(C#N)c(O)nc1=O)C(=O)OC 1467497469 ZKPMHKUWIRPUQV-UHFFFAOYSA-N 322.321 -0.331 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](C1CC1)N(C)C(=O)Cn1cncn1 1487685483 YJIZNPDUUGNAPL-PWSUYJOCSA-N 304.354 -0.209 30 20 DBED CNC(=O)NCCC(=O)N[C@](C)(CNC(=O)[C@@H](C)C#N)C1CC1 1499629072 KQNQICJZSPDNMU-ZUZCIYMTSA-N 323.397 -0.134 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)c2cncs2)C1 1506795951 ZRMYYNIIRRDXLT-ZANVPECISA-N 308.363 -0.004 30 20 DBED C#CCNC(=O)c1ccc(NCC(=O)N2CCN(C)CC2)nc1 1515409496 YEDQCGYYJLUWLT-UHFFFAOYSA-N 315.377 -0.370 30 20 DBED C=CCNC(=O)CN[C@@H](C)CCNC(=O)[C@@]1(C)CCNC(=O)C1 1570461101 JPQQAWHLSLRMFQ-LRDDRELGSA-N 324.425 -0.311 30 20 DBED C[C@@H](C#N)C(=O)NC/C=C/CN=c1cc[nH]cc1-c1nn[nH]n1 1573581942 APSJKHPTCJKNGN-PBKGFPTLSA-N 312.337 -0.072 30 20 DBED C[C@H](C(=O)N[C@@H]1CNCC2(CCOCC2)C1)n1cnc(C#N)n1 1575071182 XNODUBGVQOGEFL-NEPJUHHUSA-N 318.381 -0.014 30 20 DBED N#Cc1ccc(C(=O)Cn2c(O)ncc(-c3nn[nH]n3)c2=O)cc1 1581870425 ARCAXMQKHPYDST-UHFFFAOYSA-N 323.272 -0.116 30 20 DBED C=C[C@H](CO)NS(=O)(=O)c1ccc(F)cc1-c1nn[nH]n1 1588730153 HIPHCPSGBRPKJX-MRVPVSSYSA-N 313.314 -0.169 30 20 DBED C=CCOC[C@@H](NC(=O)[C@@H](c1cncn1C)N(C)C)C(=O)O 1588855370 FNPQIHCWOAZDRE-ZYHUDNBSSA-N 310.354 -0.205 30 20 DBED C=CCS(=O)(=O)CCNC(=O)Nc1cc(C(=O)O)nn1C 1588879134 SPXQJVYNQRJYOX-UHFFFAOYSA-N 316.339 -0.159 30 20 DBED C[C@@H](O)[C@H]1CN(c2cnc(C#N)c(-c3nn[nH]n3)n2)CCO1 1589998026 ZKKCWDLSGNAYIS-VXNVDRBHSA-N 302.298 -0.886 30 20 DBED CN1C(=O)[C@@H]2CN(c3c(C#N)cccc3-c3nn[nH]n3)C[C@@H]2C1=O 1591165826 YHSYZYAVMWYGAE-PHIMTYICSA-N 323.316 -0.211 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)NC[C@H](O)CC(=O)O)cc1 1601093770 GBQRXIARCKCIGD-LLVKDONJSA-N 305.290 -0.760 30 20 DBED C[C@@H](CN1CCCC1=O)Nc1cnc(C#N)c(-c2nn[nH]n2)n1 1603517478 KTTDGUJJIHDRHR-QMMMGPOBSA-N 313.325 -0.049 30 20 DBED CN(CCNc1cc(C#N)ncn1)c1cc(-c2nn[nH]n2)ncn1 1604773527 PMQSFTUCSDINGT-UHFFFAOYSA-N 323.324 -0.133 30 20 DBED CS(=O)(=O)N1CC[C@@H](NC(=O)N2CC[C@](O)(CC#N)C2)C1 1645898274 DDKBNJSIACHHRJ-ZYHUDNBSSA-N 316.383 -0.920 30 20 DBED C=CCCO[C@H](C)C(=O)N[C@H]1CCN(CC(=O)NCC#N)C1 1660966389 ZLXCIFAPXYOZEN-OLZOCXBDSA-N 308.382 -0.202 30 20 DBED C=CCNC(=O)[C@H](C)N[C@H]1C[C@@H](NC(=O)Cn2cccn2)C1 1752714071 ZTFBXNVYPYCBKR-RWMBFGLXSA-N 305.382 -0.189 30 20 DBED C=C(C)CNC[C@@](C)(NC(=O)c1cn(CC(N)=O)nn1)C1CC1 1753527857 QEYVJNSCMOCISA-OAHLLOKOSA-N 320.397 -0.172 30 20 DBED C#CCN1CCO[C@H](CNC(=O)CCn2cnccc2=O)C1 1753657240 ZCYYCTDFJWJNKE-CYBMUJFWSA-N 304.350 -0.916 30 20 DBED C=CCNC(=O)CNC[C@H](C)N(C)C(=O)Cc1nonc1C 1753717457 PHKDMQOQBMSGTE-JTQLQIEISA-N 309.370 -0.341 30 20 DBED C=CCN1CC[C@H](NC[C@@H](CC(C)C)NC(=O)C(N)=O)C1=O 1753738042 BNZMTSRWXKQOCF-NEPJUHHUSA-N 310.398 -0.621 30 20 DBED C=CCNC(=O)CNC[C@@H](C)NC(=O)[C@]1(C)CCC(=O)NC1 1754239186 FNEPZIOGXWVZBF-IAQYHMDHSA-N 310.398 -0.701 30 20 DBED C#CCNC(=O)[C@@H](C)NC1(CNC(=O)[C@H](C)OCC#C)CC1 1754515172 MNFYSBCZRFFFAG-OLZOCXBDSA-N 305.378 -0.599 30 20 DBED C=C(C)CN1CC(O)(CNC(=O)[C@]23C[C@H]4C[C@@H](C(=O)N2)[C@H]3C4)C1 1754769827 NJOLJJXBHGUMHF-SFDCBXKLSA-N 319.405 -0.360 30 20 DBED C=CCNC[C@H]1CN(C(=O)CCS(=O)(=O)NC)C[C@@H]1C 1754815221 OACKKTXHVFYGDR-RYUDHWBXSA-N 303.428 -0.204 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2[C@H]1CCCN2C(=O)c1ncc[nH]1 1754866000 SUADDMTUAVKHAQ-CHWSQXEVSA-N 315.377 -0.162 30 20 DBED N#CCNC[C@@H]1CN(C(=O)c2cc3n(n2)CCCO3)CCO1 1755005706 PNIJWJJQEFYSDW-LLVKDONJSA-N 305.338 -0.380 30 20 DBED C#CCNC(=O)CN[C@H](CO)CNC(=O)C[C@@H]1C=CCCC1 1755632888 ZFIWKSONICTWLS-KGLIPLIRSA-N 307.394 -0.451 30 20 DBED C=CCNC(=O)[C@H](C)N[C@H]1CN(C(=O)CNC(C)=O)CC1(C)C 1755751751 WBYJGOJWNGEJPB-AAEUAGOBSA-N 324.425 -0.360 30 20 DBED C=CC(C)(C)CC(=O)NC[C@H](CO)NC(=O)[C@H]1CCC(=O)N1 1756524513 XZVMWSDVIQEDQG-GHMZBOCLSA-N 311.382 -0.539 30 20 DBED CC(=O)NCC(=O)N1CC2(CCN(C(=O)C#CC3CC3)C2)C1 1756824505 LFGHKTJNZMDUGO-UHFFFAOYSA-N 303.362 -0.403 30 20 DBED C#CCCCC(=O)N1CCC2(C1)CN(C(=O)CNC(=O)NC)C2 1756834663 FVLBEYYDKLRZTK-UHFFFAOYSA-N 320.393 -0.220 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(C(=O)c2cncn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c1cc(C#N)ccc1C 221085766 YSISMSKHADINSB-UHFFFAOYSA-N 317.392 -0.306 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)[C@H]2CCOC2)c1=O 273849888 HIVLEBIMZFIQJI-NSHDSACASA-N 321.333 -0.851 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCCCOCC2CC2)C1=O 282702145 UZKBHOQTUSTGDX-UHFFFAOYSA-N 323.349 -0.104 30 20 DBED CCOC(=O)CO/N=C(/C(=O)N(C)C[C@@H](C)O)c1cc[nH]n1 292029689 CIFANGYKQVVKJE-NGPRFVETSA-N 312.326 -0.467 30 20 DBED C#Cc1ccccc1CC(=O)NCCC(=O)NS(C)(=O)=O 292935059 OXNBYJHOWMQZEY-UHFFFAOYSA-N 308.359 -0.208 30 20 DBED C#CCO[C@H](C)C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 294607814 ZSAJVHULTOTCKW-CQSZACIVSA-N 323.393 -0.972 30 20 DBED CNC(=O)NC(=O)CN1CCN(c2ccc(C#N)cn2)CC1 299107668 XWWLBETUVCUJEW-UHFFFAOYSA-N 302.338 -0.469 30 20 DBED CC(C)N1CC[C@@H](/N=C(/O)CN2CCCS2(=O)=O)C1=O 329717253 XJKCGCUVUVGQJE-SNVBAGLBSA-N 303.384 -0.012 30 20 DBED CCC(=O)N1CC[C@H](/N=C(/O)CN2CCCS2(=O)=O)C1 329987793 GNEXRDMOFWLGKT-JTQLQIEISA-N 303.384 -0.011 30 20 DBED CN1C[C@@H](/N=C(/O)N2CCC(N3CCN=C3O)CC2)CC1=O 330112512 CAUSQJDQIVQWCG-JTQLQIEISA-N 309.370 -0.175 30 20 DBED CC(C)NS(=O)(=O)N(CCC#N)CCN1CCOCC1 330725278 JNGSVUMFCJCSAY-UHFFFAOYSA-N 304.416 -0.223 30 20 DBED N#C[C@H]1CN(S(=O)(=O)N[C@H](C(N)=O)c2ccccc2)CCO1 336907548 FYQLVYAPAJGDPK-RYUDHWBXSA-N 324.362 -0.728 30 20 DBED COC(=O)C(C)(C)N(C)S(=O)(=O)N1CCO[C@H](C#N)C1 337060109 GEIOBUGGIFUSNE-SECBINFHSA-N 305.356 -0.661 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@@H](O)[C@@H]1CCOC1 337084532 CQVMIWMQHIEDTF-IJLUTSLNSA-N 305.400 -0.300 30 20 DBED C=CCN1CC[C@@H](N(C)CCC(=O)N(C)CC(=O)OC)C1=O 337225774 OTXYFUPOAWBSIV-GFCCVEGCSA-N 311.382 -0.273 30 20 DBED COc1cccc(C[C@H](O)C(=O)NCCn2cnc(C#N)n2)c1 342892880 PBHJMAZRNIHMKJ-ZDUSSCGKSA-N 315.333 -0.122 30 20 DBED C=CCN(C)C(=O)C(=O)NCc1cccc(OCC(N)=O)c1 343074220 WRCDRLCVEZNMSH-UHFFFAOYSA-N 305.334 -0.189 30 20 DBED N#CCNC(=O)CNC(=O)NC1CCN(CC(F)(F)F)CC1 344481466 TUQFSLHGTUXEQT-UHFFFAOYSA-N 321.303 -0.048 30 20 DBED COC(=O)[C@@H]1CNC(=O)CN1C(=O)CCc1ccc(C#N)cc1 344854485 DJWFYPQIFZBITD-ZDUSSCGKSA-N 315.329 -0.009 30 20 DBED N#CCNC(=O)CNC(=O)N[C@@H]1CCN(c2ccccn2)C1 345504571 ZSELALNOQQXKEA-LLVKDONJSA-N 302.338 -0.401 30 20 DBED C=CCNC(=O)CNS(=O)(=O)c1ccc(-n2cnnn2)cc1 346570403 WAGBLNXTJNKGAX-UHFFFAOYSA-N 322.350 -0.757 30 20 DBED CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCC#CCO 352187857 VGQMRIKWVXZFAL-SNVBAGLBSA-N 309.326 -0.061 30 20 DBED C=C[C@@H](CO)NC(=O)N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1 359573261 UZGUMPHFISXIDF-WDEREUQCSA-N 317.411 -0.211 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CCC[C@H](C(=O)O)C2)nn1 424488870 NMDFTKDCLRPFGK-JTQLQIEISA-N 321.337 -0.597 30 20 DBED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC(=O)N[C@@H](C)C2)CC1 451644803 ZJOFHFCUCMLVKY-KBPBESRZSA-N 321.425 -0.501 30 20 DBED CS(=O)(=O)N1CCC[C@H](C(=O)N2CCO[C@H](C#N)C2)C1 528451149 MLIJHULOGBVFSH-WDEREUQCSA-N 301.368 -0.591 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N[C@H](C(=O)O)[C@H]1CCOC1 563227866 YWRFSAPHUXDWRJ-UTLUCORTSA-N 305.356 -0.456 30 20 DBED N#Cc1ccc(S(=O)(=O)N2CCC[C@@H]([C@@H](O)C(=O)O)C2)o1 563550536 SYVOSLVVYLTNNF-LDYMZIIASA-N 314.319 -0.003 30 20 DBED Cc1cc(NC(=O)C(=O)N2CCNC(=O)[C@@H]2C)ncc1C#N 566446347 ILXSFFLIVMUCGC-VIFPVBQESA-N 301.306 -0.453 30 20 DBED COCCN([C@H](C)C(=O)O)S(=O)(=O)N(C)[C@H](C)CC#N 580718399 RCIDVIRGFQPGEX-NXEZZACHSA-N 307.372 -0.113 30 20 DBED N#CCNC(=O)CNC(=O)Nc1cnn(C[C@H]2CCCO2)c1 588252903 MQCALCKISKXNTB-LLVKDONJSA-N 306.326 -0.177 30 20 DBED CN(C)S(=O)(=O)NCCNC(=O)c1cc(O)cc(C#N)c1 593897163 DYRPDRAKNAKLBD-UHFFFAOYSA-N 312.351 -0.610 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 595262378 GEPFRXLNUZDLHN-SYQHCUMBSA-N 322.409 -0.079 30 20 DBED Cn1nnc2c1CC[C@@H](NC(=O)N1CCN(CCC#N)CC1)C2 601618853 DDURYWAKXHFGIX-GFCCVEGCSA-N 317.397 -0.087 30 20 DBED N#CCC1(O)CN(C(=O)CNC(=O)c2ccc3c(c2)OCO3)C1 618914750 MLHQRPGNSUCAQB-UHFFFAOYSA-N 317.301 -0.368 30 20 DBED COCC#CCN1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 679437291 WGITUHWIDVJQER-AWEZNQCLSA-N 316.423 -0.237 30 20 DBED C#CCC[C@H](O)CNS(=O)(=O)c1scnc1C(=O)OC 717920012 LVXLJMUQYMYIIH-QMMMGPOBSA-N 318.376 -0.018 30 20 DBED CCOC(=O)C1=C(CN2CCOC[C@@H]2C#N)NC(=O)N[C@@H]1C 746479229 VSXZOWXCJCUELY-ZJUUUORDSA-N 308.338 -0.271 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)CC[C@]1(C)CCC(=O)N1 751506083 ONTZBXPMAGNVET-AWEZNQCLSA-N 311.338 -0.010 30 20 DBED CCN(CC)S(=O)(=O)CC(=O)Nc1nc(C#N)c(C#N)[nH]1 753418509 GYKKFZSQCSSRNA-UHFFFAOYSA-N 310.339 -0.237 30 20 DBED N#Cc1ccc(NCCNC(=O)CN2CCOCC2=O)nc1 790527547 FQVTVMQDBNPOCB-UHFFFAOYSA-N 303.322 -0.660 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)N2CCSCC2)CC1 795823740 PSPPYZWFGFGAJA-UHFFFAOYSA-N 310.423 -0.478 30 20 DBED C#C[C@@H](NC(=O)C(=O)N(CCO)CCCOC)[C@H]1CCCO1 809313660 WOHOQGBISSJPTA-CHWSQXEVSA-N 312.366 -0.859 30 20 DBED CON=CC(=O)NC[C@H]1CSCCN1C(=O)C=NOC 815916696 HMUZFOIGQJHDOQ-VIFPVBQESA-N 302.356 -0.689 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)/C=C/SC)CC1 831564537 ASCUYHQMOIHZEK-ONNFQVAWSA-N 303.409 -0.525 30 20 DBED C#C[C@H](NC(=O)c1cc(S(N)(=O)=O)ccc1O)[C@H]1CCCO1 832412515 QPNYHESWRPUAMB-WCQYABFASA-N 324.358 -0.050 30 20 DBED C#C[C@@H](NC(=O)CN(C)S(=O)(=O)N(C)C)[C@@H]1CCCO1 845957872 YNTLYTPAXSQMDC-MNOVXSKESA-N 303.384 -0.978 30 20 DBED C#CC[C@@H](CO)NC(=O)c1cc(S(=O)(=O)NC)cs1 854545384 HRIMURLQUKOEJY-QMMMGPOBSA-N 302.377 -0.230 30 20 DBED CC(=O)N1C[C@H]2CN(S(=O)(=O)N(C)[C@@H](C)CC#N)C[C@H]2C1 882634315 TWUYMWQEMAGYTE-WCFLWFBJSA-N 314.411 -0.125 30 20 DBED CNC(=O)CNC(=S)NN=Cc1ccc(OCCOC)o1 901189599 UBVKBRFBKLJPHW-UHFFFAOYSA-N 314.367 -0.151 30 20 DBED C#CCN1CCC[C@@H](NC(=S)NCCNS(C)(=O)=O)C1 905572813 YUXBXDTZCAGYAJ-LLVKDONJSA-N 318.468 -0.903 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2cnon2)C1 936116694 QLJMUHZNPWIYAW-FOGDFJRCSA-N 306.322 -0.009 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H](NC(=O)c3cn[nH]c3)C2)nn1 937709172 MUIUXYSNACWLKQ-NSHDSACASA-N 315.337 -0.168 30 20 DBED C[C@H](C#N)C(=O)N1CCCN(C(=O)c2c[nH]c(=O)cn2)CC1 942103825 LBLZSSOLNHHTSN-SNVBAGLBSA-N 303.322 -0.396 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@@H]2CNC(=O)[C@@H]2COC(=O)N2)[nH]1 949690471 OHVUIFIKKCAWMK-KOLCDFICSA-N 317.305 -0.675 30 20 DBED C=CCCn1cc(C(=O)N[C@@H]2CCCN(C(=O)C(N)=O)C2)nn1 951858557 PLDYSIIAKROENP-SNVBAGLBSA-N 320.353 -0.940 30 20 DBED CN(C(=O)[C@H]1CCNC(=O)C1)C1CN(C(=O)C#CC2CC2)C1 954033259 VVGMLIMUKSRACZ-LBPRGKRZSA-N 303.362 -0.405 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@](C)(NC(=O)C2CS(=O)(=O)C2)C1 956987600 BYFVDRPPOUPKII-TVQRCGJNSA-N 313.379 -0.702 30 20 DBED N#Cc1ccc(CN2C[C@@H]3C(NC(=O)Cn4cnnn4)[C@H]3C2)cc1 958181706 PMQIIUJZAJOSGP-KBPBESRZSA-N 323.360 -0.209 30 20 DBED C#CCCN1C[C@H](CNC(=O)c2nccn3ccnc23)[C@@H](O)C1 958418894 XAIAHRSDXMULJH-STQMWFEESA-N 313.361 -0.225 30 20 DBED CC#CCN1C[C@H]2[C@H](NC(=O)Cn3nc(C)ccc3=O)[C@H]2C1 962356035 YJMCXRDTFORHGA-VIKVFOODSA-N 300.362 -0.379 30 20 DBED C=CCn1cc(C(=O)N2CC3(CN(C(C)=O)CCO3)C2)nn1 965259595 WJYXNSXTFINQFA-UHFFFAOYSA-N 305.338 -0.463 30 20 DBED C[C@H](C#N)C(=O)N1CC2(C[C@@H](NC(=O)Cc3cnoc3)CO2)C1 965791618 XQRQFHOXSWCQRX-ZYHUDNBSSA-N 318.333 -0.137 30 20 DBED C[C@@H]1CCN(CC#N)C[C@@H]1NC(=O)CN1C(=O)NC(C)(C)C1=O 968613724 FMHFZLPRGSETPN-MNOVXSKESA-N 321.381 -0.333 30 20 DBED C=CCCn1cc(C(=O)N2CC[C@H](N(C)CC(N)=O)C2)nn1 972516288 KXTCUBXAWFXWDD-NSHDSACASA-N 306.370 -0.514 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)Cn3nccn3)C2)cn1 973314375 PKWNPGRMRUURME-HDJSIYSDSA-N 324.344 -0.268 30 20 DBED CC1(C)C(=O)NC(=O)N1CC(=O)N[C@H]1CCC[C@H](NCC#N)C1 981439489 DRUVYATZJFIMCC-QWRGUYRKSA-N 321.381 -0.143 30 20 DBED C#Cc1ccc(C(=O)N2CC(NC(=O)c3cnnn3C)C2)nc1 991102230 FXZVGBSDVBJOBG-UHFFFAOYSA-N 310.317 -0.554 30 20 DBED N#CCN1CC[C@]2(NC(=O)[C@H]3CCS(=O)(=O)N3)CCC[C@@H]12 992498814 MJMUQPJWQNVNCQ-NQBHXWOUSA-N 312.395 -0.685 30 20 DBED C#CCCN1CCC[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)[C@@H]1C 994359910 CBMVXXQWIZEMGL-QWHCGFSZSA-N 320.393 -0.127 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)C2CCC(C(N)=O)CC2)C1 995131899 PJTPCADPNOOTOI-WHXUTIOJSA-N 306.366 -0.235 30 20 DBED CC1(C)CN(C(=O)c2cnn3c(=O)cc[nH]c23)C[C@@H]1NCC#N 996390437 UPYBPWGPWFXRLJ-NSHDSACASA-N 314.349 -0.014 30 20 DBED C#Cc1cncc(C(=O)NC2CN(C(=O)[C@H](C)n3cncn3)C2)c1 999304379 MFBVPPYRYGLWJK-NSHDSACASA-N 324.344 -0.144 30 20 DBED CN1CCO[C@H](C(=O)NCC2CN(C(=O)C#CC3CC3)C2)C1 1001295064 DSOKHWADPCXQPU-AWEZNQCLSA-N 305.378 -0.695 30 20 DBED CC(=O)N1CC(C(=O)N[C@@H]2C[C@@H](C)N(C(=O)C#CC3CC3)C2)C1 1012582524 ROCSPBLSYNWAMJ-IAQYHMDHSA-N 317.389 -0.016 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H](CN(C)Cc2nc(=O)n(C)[nH]2)C1 1017075486 AYXUWXGDASWHOU-NWDGAFQWSA-N 320.397 -0.062 30 20 DBED N#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnn2c(=O)cc[nH]c12 1018036478 HIDLNFMBLWZUQV-PHIMTYICSA-N 312.333 -0.165 30 20 DBED C=CCN1CC[C@@H](N[C@H]2C[C@H](NC(=O)c3ncn(C)n3)C2)C1=O 1020128457 WYWADPFQMYNEBN-IJLUTSLNSA-N 318.381 -0.548 30 20 DBED C#CCN1[C@H]2CC[C@H]1CC(NC(=O)[C@@H]1CN(C(C)=O)CCO1)C2 1021450114 LJKSDHMHMOJFRR-JYJNAYRXSA-N 319.405 -0.022 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CCN(C(=O)c3ncn(C)n3)[C@@H]2C1 1021532816 AFJYTENAXZFZLV-GARJFASQSA-N 302.338 -0.352 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CCN(C(=O)c3cn(C)nn3)[C@@H]2C1 1021537976 LVNLAAKJIKGZAJ-JBLDHEPKSA-N 302.338 -0.352 30 20 DBED COc1cccc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2O)n1 1025435836 ADSYARVMLOZBPP-MVWJERBFSA-N 318.333 -0.449 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)c3[nH]nnc3C)C[C@H]2O)C1 1025549012 VKIZHGUMTWQQSH-GHMZBOCLSA-N 319.365 -0.229 30 20 DBED N#CCN[C@@H]1CC[C@@H]2CN(C(=O)CN3CCC(=O)NC3=O)C[C@H]21 1026399360 UFQXUJTXINPJIX-IJLUTSLNSA-N 319.365 -0.722 30 20 DBED C#CCN1CC[C@@H](CNC(=O)c2ccc(S(N)(=O)=O)o2)C1 1028658956 KICWCGGFFFAORM-JTQLQIEISA-N 311.363 -0.388 30 20 DBED C#CCCN1[C@H]2CC[C@H]1CN(C(=O)[C@@H]1CCS(=O)(=O)N1)C2 1029588131 IROJUQDVDTXLFI-AVGNSLFASA-N 311.407 -0.623 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)[C@@H]3CCN(C)[C@@H]3C)C2)C1=O 1030336608 NYZVZOQKNPVFGA-BPLDGKMQSA-N 320.437 -0.086 30 20 DBED Cn1cnc(C(=O)N2CCC3(CC2)CN(CC#N)C3)cc1=O 1035726791 YSABAGKIIFDPSZ-UHFFFAOYSA-N 301.350 -0.158 30 20 DBED C#CCN1CC[C@H]2CN(C(=O)CN3C(=O)CNC3=O)CC[C@H]21 1036888672 MXTJSJIDEYHLFB-NWDGAFQWSA-N 304.350 -0.906 30 20 DBED N#CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)CN1CCCCS1(=O)=O 1037508999 LYOYMNYJUZMUHW-NTZNESFSSA-N 312.395 -0.876 30 20 DBED C[C@H]1CCN(C(=O)C(N)=O)C[C@H]1CN=c1cc[nH]c(C#N)n1 1039887653 JHEJRPHFKMPNKD-VHSXEESVSA-N 302.338 -0.848 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)Cc2cncn2C)C1 1040355414 VJVTYYGXQMIMFJ-ABAIWWIYSA-N 319.365 -0.798 30 20 DBED CCn1cc(C(=O)NCC2(O)CN(C(=O)[C@H](C)C#N)C2)cn1 1042167197 OJJOMIOTGQHDOY-SNVBAGLBSA-N 305.338 -0.634 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)[C@H](C)n2cccc2)C1 1042583700 AHWSYRNWMFNJKC-ZDUSSCGKSA-N 321.377 -0.059 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)CCn2ccnn2)C1 1042777584 OWNVTGKZKGUEFX-UHFFFAOYSA-N 307.354 -0.676 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)c2cscn2)C1 1043040918 ZPNKHPVICHAIPL-SNVBAGLBSA-N 323.374 -0.516 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)c2c[nH]nc2C)C1 1043041078 FPGUWAGNQJLARX-LLVKDONJSA-N 320.349 -0.940 30 20 DBED C=C(Cl)CN1CC(N(C)C(=O)CN2CCN(C)C(=O)C2)C1 1043163501 UFVYUADXSMPGNL-UHFFFAOYSA-N 314.817 -0.345 30 20 DBED CC#CCN1CC(N(C)C(=O)Cn2nc3ccccn3c2=O)C1 1043501330 UPGKGYVAFLNIOY-UHFFFAOYSA-N 313.361 -0.338 30 20 DBED C=CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2cn(C)cn2)C1 1043571982 UIKSXUDTRWLHJD-NSHDSACASA-N 322.365 -0.686 30 20 DBED N#Cc1nccnc1N1C[C@H](O)[C@H](NC(=O)c2cscn2)C1 1043870264 YIHNGIRWDYDMQF-KOLCDFICSA-N 316.346 -0.216 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)COc2ccsc2)C1 1044018025 LTRIBQLJUKLIEV-SNVBAGLBSA-N 323.374 -0.024 30 20 DBED C#CCNC(=O)CC(=O)N1CC(O)(CNC(=O)C2(C)CCC2)C1 1044530337 MPRUSDAYAMPQRT-UHFFFAOYSA-N 321.377 -0.994 30 20 DBED Cc1c[nH]c(C(=O)N[C@@H]2CN(c3ccncc3C#N)C[C@@H]2O)n1 1044633051 CNGCVYVAOYUAFT-YPMHNXCESA-N 312.333 -0.036 30 20 DBED Cn1cnn(CCC(=O)N2CC[C@H]3CC[C@@H](C2)N3CC#N)c1=O 1045819852 GOZOXZKNWKIDJY-OLZOCXBDSA-N 318.381 -0.439 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@]23CCOC3)C1 1046583095 ALDDZZPNYQSMDA-BBRMVZONSA-N 320.389 -0.238 30 20 DBED C#CCCN1C[C@H]2C[C@H](NC(=O)CN3C(=O)CNC3=O)C[C@H]1C2 1047197810 MPHAQHZSPSGLJD-RWMBFGLXSA-N 318.377 -0.469 30 20 DBED CSCC(=O)N(C)[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1O 1048170170 AKHAPWWFSACRCK-RYUDHWBXSA-N 322.390 -0.107 30 20 DBED CN(C(=O)C#CC1CC1)[C@H]1CN(C(=O)[C@H]2CCCCO2)C[C@@H]1O 1048821341 KMFDBIARDVTPFS-SOUVJXGZSA-N 320.389 -0.001 30 20 DBED CCCCOCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)C#N)C1 1049389267 WASZWKLDQOALGM-AGIUHOORSA-N 311.382 -0.007 30 20 DBED CNC(=O)CC(=O)N1CC[C@@H]([C@H](C)NC(=O)C#CC2CC2)C1 1050539342 XPKFSVYUGJXGTI-WCQYABFASA-N 305.378 -0.111 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)c1cnn2c1OCCC2 1051004210 AZTHZWOJPSMCOR-LBPRGKRZSA-N 304.350 -0.271 30 20 DBED C#Cc1cncc(C(=O)NC[C@H]2COCCN2C[C@H](C)O)c1 1051106521 MZUBGYXKHWPBAB-WFASDCNBSA-N 303.362 -0.126 30 20 DBED CC#CCN1CCOC[C@H]1CNC(=O)[C@H]1CCCN1C(C)=O 1051263291 TVFRCGUBXFYCBA-HUUCEWRRSA-N 307.394 -0.162 30 20 DBED N#Cc1ccc(C(=O)N2CCO[C@H](CN[C@@H]3CCNC3=O)C2)[nH]1 1051554660 IAMKAYHFALMPIZ-VXGBXAGGSA-N 317.349 -0.795 30 20 DBED C=CCN1CCN([C@H]2CCN(C(=O)[C@@]3(C)CNC(=O)C3)C2)CC1 1052056699 HAVFLMUGNJPPPS-WMLDXEAASA-N 320.437 -0.083 30 20 DBED C#CCCN1CCN([C@@H]2CCN(C(=O)c3[nH]nnc3C)C2)CC1 1052060508 FWVOBVZOSYCFPL-CQSZACIVSA-N 316.409 -0.031 30 20 DBED CC(=O)NCC(=O)NC[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1C 1052547355 FHQAYEHQRLWVLY-RISCZKNCSA-N 305.378 -0.253 30 20 DBED CNC(=O)CC(=O)NC[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1C 1052550229 ZJVQFYMWYLDIKW-WCQYABFASA-N 305.378 -0.253 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)[C@@H]1CCCNC1=O)CCO2 1053296689 UOWTXEGZJFNNRC-CYBMUJFWSA-N 305.378 -0.551 30 20 DBED C=CCN1CC2(C1)CN(C(=O)c1cccc(C(N)=O)n1)CCO2 1053546954 ZTNJEQSUYPFURG-UHFFFAOYSA-N 316.361 -0.107 30 20 DBED CN1C(=O)CCC[C@@H]1C(=O)N[C@H]1COC2(C1)CN(CC#N)C2 1053996682 JIQGLSJQGDPOLF-VXGBXAGGSA-N 306.366 -0.520 30 20 DBED N#Cc1ccc(N2CCN(C(=O)[C@H]3CCC(=O)NC3)CC2)nn1 1056079803 WLGPSCHAOPWQBL-NSHDSACASA-N 314.349 -0.477 30 20 DBED N#Cc1nc(=N[C@@H]2CCN(C(=O)CN3CCCC3=O)C2)cc[nH]1 1056579473 DLLIMGJVUZEMNY-LLVKDONJSA-N 314.349 -0.595 30 20 DBED Cn1ncc(C(=O)N2CC[C@@H](Nc3nccnc3C#N)C2)c1N 1056610149 KFAAQAJTNAKXMW-SECBINFHSA-N 312.337 -0.009 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)c1conc1C 1057194815 PQDLMLMDSGZQHA-UHFFFAOYSA-N 311.338 -0.264 30 20 DBED CCn1ncc(C(=O)NCCN(CCO)C(=O)C#CC(C)C)n1 1057517326 QHUNRRLCBNWQNS-UHFFFAOYSA-N 321.381 -0.492 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)CCc1cnn[nH]1 1057524458 GHCOECMGNXEIKD-UHFFFAOYSA-N 321.381 -0.666 30 20 DBED Cn1ncc(C(=O)N[C@H]2CCN(c3ccnc(C#N)n3)C2)c1N 1058343764 IKIYGGSPXDWJES-VIFPVBQESA-N 312.337 -0.327 30 20 DBED CCn1ncc(C(=O)N[C@H]2CCN(c3cnc(C#N)cn3)C2)n1 1058353333 CWNZGWWPJULIKA-JTQLQIEISA-N 312.337 -0.032 30 20 DBED Cc1cc(C#N)nc(N[C@H]2CCN(C(=O)[C@H]3COC(=O)N3)C2)n1 1058883370 CJTGRARHGBXZGF-GXSJLCMTSA-N 316.321 -0.222 30 20 DBED N#Cc1nc(=N[C@H]2CCN(C(=O)[C@@H]3CCC(=O)NC3)C2)cc[nH]1 1059114181 HFQZEHWTZWQXMC-MNOVXSKESA-N 314.349 -0.691 30 20 DBED N#Cc1nc(=NC[C@H]2CCCN(C(=O)CC(N)=O)C2)cc[nH]1 1060009940 TWIWLLJMVNHFTF-SNVBAGLBSA-N 302.338 -0.704 30 20 DBED Cc1nonc1CC(=O)N1CCOC[C@@H]1CNC(=O)[C@H](C)C#N 1061847477 LFUGKELKNXTDSI-KOLCDFICSA-N 321.337 -0.576 30 20 DBED N#Cc1nccc(N2[C@H]3CCC[C@H]2CN(C(=O)CC(N)=O)C3)n1 1064513316 VWIPYYBXXSIQCW-QWRGUYRKSA-N 314.349 -0.207 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CN(C(=O)CSCC#N)CCO1 1064881728 YHNRNNUMJSJYDT-GHMZBOCLSA-N 310.379 -0.254 30 20 DBED C=CCOCC(=O)N1CCO[C@@H](CNC(=O)c2cnccn2)C1 1064976643 NDPIXMOSCZGOAE-LBPRGKRZSA-N 320.349 -0.364 30 20 DBED CC(C)C#CC(=O)N1CCO[C@@H](CNC(=O)[C@@H]2COC(=O)N2)C1 1065128814 JPSPGOQFXDHTNJ-RYUDHWBXSA-N 323.349 -0.902 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H]1CN(C(=O)C#CC2CC2)CCO1 1065136993 KAPGZARDGOGHMP-UKRRQHHQSA-N 318.373 -0.218 30 20 DBED C=CCCC(=O)N[C@H]1COC2(C1)CN(C(=O)CCNC(N)=O)C2 1068756453 BWIMVPCAGOXKMH-LLVKDONJSA-N 324.381 -0.503 30 20 DBED C#CCCCCCC(=O)N1CC2(C[C@H](NC(=O)C(N)=O)CO2)C1 1068992134 GJIVWLZHAHWXFD-LBPRGKRZSA-N 321.377 -0.459 30 20 DBED C#CCCN1CCNC(=O)CCN(C(=O)c2cnccn2)CC1 1070933331 GQNOHIUDGDYENH-UHFFFAOYSA-N 315.377 -0.236 30 20 DBED C=CCOCC(=O)N[C@H]1CN(C(=O)c2cncnc2O)C[C@@H]1C 1072339830 PXQPDUOWBRBPIT-JQWIXIFHSA-N 320.349 -0.039 30 20 DBED C=C(C)CN1CCC2(C1)CN(C(=O)CN1CC(=O)NC1=O)C2 1073062455 AORBZHWKDCXJQW-UHFFFAOYSA-N 306.366 -0.351 30 20 DBED C=C(C)CN1CCO[C@H]2CCN(C(=O)Cn3cnnc3O)C[C@@H]21 1074211862 GDWXARCRUNLORS-STQMWFEESA-N 321.381 -0.139 30 20 DBED N#CCN1CCO[C@@H]2CCN(C(=O)CCc3nc[nH]n3)C[C@H]21 1074212182 LFQZXRBFPGYYGM-VXGBXAGGSA-N 304.354 -0.437 30 20 DBED C=CCN1CCO[C@@H]2CCN(C(=O)Cn3ncn(C)c3=O)C[C@@H]21 1074279527 NJXFLKVIYIELNZ-QWHCGFSZSA-N 321.381 -0.931 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CCN(C(=O)c2cncnc2)CC1 1074556562 CFKXFAUZHPWFFB-NSHDSACASA-N 317.349 -0.280 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)Cn1cccn1 1075609350 JTQIUXDCXGMYAS-LBPRGKRZSA-N 319.365 -0.966 30 20 DBED COC(=O)NCC(=O)NCC[C@H](C)NC(=O)CSCC#N 1075762541 KQBPFPQRXWYQIX-VIFPVBQESA-N 316.383 -0.390 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)C1(CF)CC1 1076217853 KURRATQYMVNLIJ-NSHDSACASA-N 311.357 -0.113 30 20 DBED C#CCOCCC(=O)N[C@@H](C)CCNC(=O)[C@H]1CCCNC1=O 1076975724 RYCMPOXRGVTRCC-STQMWFEESA-N 323.393 -0.437 30 20 DBED C[C@@H](CCNC(=O)CCCCNC(N)=O)NC(=O)[C@H](C)C#N 1077240385 RYVBMNSMUDUCIW-MNOVXSKESA-N 311.386 -0.004 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)c2ccc(C(N)=O)nc2)C1 1078273574 XKGMHVPEGGXEJH-VXGBXAGGSA-N 324.768 -0.292 30 20 DBED C#CCN[C@H]1C[C@H](NC(=O)c2nccnc2C(N)=O)C12CCC2 1078802879 JEFXBQIGAVMEAE-QWRGUYRKSA-N 313.361 -0.161 30 20 DBED C=CCOCC(=O)N(CC)C1CN(C(=O)[C@@H]2CCCNC2=O)C1 1079492812 NQHUQRSOAUCBAO-CYBMUJFWSA-N 323.393 -0.226 30 20 DBED C=C(C)CCC(=O)NC[C@H]1CN(C(=O)CNC(C)=O)C[C@@H]1O 1081528633 OYWZSXUDIGLNFY-STQMWFEESA-N 311.382 -0.586 30 20 DBED C#CCN1C[C@@H](NC(=O)c2c3c(nn2C)CCC3)[C@H](OC)C1 1082323089 CGFABGBFEILIOT-ZIAGYGMSSA-N 302.378 -0.029 30 20 DBED CN1C(=O)CCC[C@@H]1C(=O)N1CCO[C@@H]2CN(CC#N)C[C@@H]21 1083261504 XXOUDYWNFFRUJZ-FRRDWIJNSA-N 306.366 -0.568 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCCN2c2ncccn2)C1 1083539247 MSUQQPKXARVAMV-MCIONIFRSA-N 315.377 -0.760 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)c2cc(=O)c(OC)co2)C1 1083643017 NJGMMCCQTAXUHE-PWSUYJOCSA-N 306.318 -0.553 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2coc3c2C(=O)NCCC3)C1 1083657035 BJSUFRKSSOTGLT-MNOVXSKESA-N 318.333 -0.746 30 20 DBED CC#CCN1CC[C@@H]1CN(C)C(=O)[C@@H]1Cc2cncn2C(=O)N1 1085737316 KDBFVKBSJOHCQD-OCCSQVGLSA-N 315.377 -0.079 30 20 DBED C#CCCN1CC[C@H](NC(=O)CN2CCCS2(=O)=O)[C@H]1C 1088606456 UGNMNRBBDRKNTB-OLZOCXBDSA-N 313.423 -0.376 30 20 DBED C=C(C)CCN1CC[C@H](NC(=O)CN2CCNC(=O)C2)[C@H]1C 1088792758 FZCMNUHGAPTOAU-KGLIPLIRSA-N 308.426 -0.037 30 20 DBED N#CCN1CC[C@H](NC(=O)c2ccnc3[nH]cnc23)[C@H](O)C1 1090300389 KSFKKWXYEMRYBB-WDEREUQCSA-N 300.322 -0.354 30 20 DBED C=C(C)CCN1CC[C@@H](NC(=O)c2cc(=O)n(C)cn2)[C@@H](O)C1 1090336529 IQUIARVWAMJNJV-OCCSQVGLSA-N 320.393 -0.089 30 20 DBED COC[C@@H](C)C(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@@H]1O 1091088459 FVZPOJDWXZZBSU-RTXFEEFZSA-N 304.350 -0.099 30 20 DBED CO[C@H](C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@@H]1O)C(C)C 1091178960 BPWLFXJGIGVYIW-AGIUHOORSA-N 319.365 -0.315 30 20 DBED N#Cc1nc(=N[C@H]2C[C@H](CNC(=O)C3(C(N)=O)CC3)C2)cc[nH]1 1091505795 FPJHRWPACAFHHL-MGCOHNPYSA-N 314.349 -0.658 30 20 DBED COC(=O)[C@H]1C[C@@H]1C(=O)NCCNc1nc(C)cc(C#N)n1 1093518165 JUSNXHKTSMHTDW-QWRGUYRKSA-N 303.322 -0.006 30 20 DBED C#CCN1CC(OC2CCN(C(=O)c3ncn(C)n3)CC2)C1 1093533380 KQTOCBKLCCRGDK-UHFFFAOYSA-N 303.366 -0.246 30 20 DBED CC(C)(C(=O)NCCNc1nccnc1C#N)S(C)(=O)=O 1093863131 DYZQFPIJKPKOSV-UHFFFAOYSA-N 311.367 -0.300 30 20 DBED N#Cc1c[nH]c(C(=O)NCCCNc2ccc3nnnn3n2)c1 1094363026 TXOJKWAYZJNCDL-UHFFFAOYSA-N 311.309 -0.049 30 20 DBED N#Cc1c[nH]ccc1=NCCCNC(=O)[C@H]1CCS(=O)(=O)C1 1094661796 HZQKCFRKWZRFEW-NSHDSACASA-N 322.390 -0.272 30 20 DBED N#CCN1CC(N2C[C@H](NC(=O)c3ccc(F)cn3)CC2=O)C1 1094726822 AKBSAENJQIHYHB-LLVKDONJSA-N 317.324 -0.241 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)C3CCN(C)CC3)CC2=O)C1 1094777508 WQJPBSLSYUCQPI-CQSZACIVSA-N 320.437 -0.085 30 20 DBED CC#CCN1CC(N2C[C@@H](NC(=O)Cc3cnoc3)CC2=O)C1 1094778325 LQQLJFKHSABMOE-ZDUSSCGKSA-N 316.361 -0.358 30 20 DBED C#CCCN1CC(N2C[C@H](NC(=O)c3ccn(C)n3)CC2=O)C1 1094814182 BAMJHWRLRWWJKP-GFCCVEGCSA-N 315.377 -0.542 30 20 DBED C[C@@H](C#N)C(=O)NCCCN(C)c1ncnc2c1nnn2C 1095507527 WPXSRVIZJHSVNQ-VIFPVBQESA-N 302.342 -0.140 30 20 DBED COC(=O)NCC(=O)N[C@H]1CCCN(c2nccnc2C#N)C1 1096138282 SPPSYAPDHZNNIH-JTQLQIEISA-N 318.337 -0.211 30 20 DBED C[C@@H](CNC(=O)CNC(=O)C1CCC1)N=c1cc[nH]c(C#N)n1 1097892504 YQSJCUWZQULTLD-JTQLQIEISA-N 316.365 -0.397 30 20 DBED Cc1cc(=N[C@H](C)CNC(=O)CCn2cnnn2)c(C#N)c[nH]1 1098010742 DCOOYOQQICUXLO-LLVKDONJSA-N 314.353 -0.323 30 20 DBED COC[C@H](O)CN(CCO)C1CCN(C(=O)C#CC2CC2)CC1 1098365073 PRXCZHSFQBZGTM-MRXNPFEDSA-N 324.421 -0.308 30 20 DBED C[C@@H](CCNC(=O)C1(C(N)=O)CC1)N=c1cc[nH]c(C#N)n1 1099658686 VGEMAJQWJXYCFE-VIFPVBQESA-N 302.338 -0.658 30 20 DBED COCC#CCN1CC[C@H](NC(=O)Cc2cnn(C)c2)[C@H](O)C1 1099711502 AMZUJTODZVXLIG-LSDHHAIUSA-N 320.393 -0.836 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)c2cc[nH]c2C)[C@H](O)C1 1099761011 QBESDZUATUNNAB-UONOGXRCSA-N 320.393 -0.210 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)C2=CCOCC2)[C@H](O)C1 1099783024 KIDZSHLJJGMCMV-UONOGXRCSA-N 323.393 -0.813 30 20 DBED Cc1nnc(CC(=O)NCCN(C)c2cnc(C#N)cn2)o1 1100052143 BBJDUSNYXSGZCH-UHFFFAOYSA-N 301.310 -0.165 30 20 DBED N#CCN1CC[C@H](NC(=O)CNC(=O)c2ccco2)[C@H](O)C1 1100096610 KCPIKBZHXJNZOJ-WDEREUQCSA-N 306.322 -0.916 30 20 DBED C[C@@H](C#N)C(=O)NCC1CC(NCCN(C)S(C)(=O)=O)C1 1100196179 BMDFLEPUVXBXMJ-UNXYVOJBSA-N 316.427 -0.478 30 20 DBED CCc1ocnc1C(=O)NCC1CC(NCC(=O)NCC#N)C1 1100203632 YUEPKUYVYXSDAW-UHFFFAOYSA-N 319.365 -0.025 30 20 DBED CCCN(CCNC(=O)[C@H]1COC(=O)N1)c1cnc(C#N)cn1 1101132037 FRNONISUJZUOPS-LLVKDONJSA-N 318.337 -0.211 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)CCNc1ccc2nnnn2n1 1101781182 GNAGURJGOQZIRE-JTQLQIEISA-N 303.326 -0.572 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CCN(c2ccc3nnnn3n2)C1 1102701602 FPJIUZKBDUXGHG-ZJUUUORDSA-N 300.326 -0.284 30 20 DBED CC[C@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)Nc1cncc(C#N)n1 1103262051 XCLAEYQXVCIYNJ-KOLCDFICSA-N 317.353 -0.321 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H](C)CNc1ncc(F)cn1 1103955851 BNWZLPMHNGESHM-JTQLQIEISA-N 307.329 -0.081 30 20 DBED C=CCNC(=O)[C@@H](C)NCC[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1C 1104022519 SJZDDDJMOULXMV-JHJVBQTASA-N 324.425 -0.373 30 20 DBED N#CCNCc1cn(C2CN(C(=O)[C@H]3CCCOC3)C2)nn1 1105187678 BTLIASFQXPCZDT-NSHDSACASA-N 304.354 -0.299 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CN=c1ccc2ncc[nH]c-2n1 1105773502 IOIAMMCJEIEBHM-ZJUUUORDSA-N 300.322 -0.553 30 20 DBED C=CCNC(=O)CNC[C@@H]1CN(C(=O)CN(C)C(C)=O)C[C@H]1C 1105850629 RNERCKFPHQDFKM-TZMCWYRMSA-N 324.425 -0.549 30 20 DBED CCn1ccc(C(=O)NC[C@@H](O)CN=c2cc[nH]c(C#N)n2)n1 1105982598 RCSZYMVWJCBWSZ-JTQLQIEISA-N 315.337 -0.811 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)c2n[nH]cc2F)nn1 1106083009 GJGFUKWTNSKMRI-QMMMGPOBSA-N 305.273 -0.587 30 20 DBED CO[C@H](C(=O)NC[C@@H](O)CNc1cnc(C#N)cn1)C(C)C 1106092800 NOYUPFVQRMYIHM-AAEUAGOBSA-N 307.354 -0.092 30 20 DBED N#Cc1nc(=NC[C@@H](O)CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)cc[nH]1 1106110601 WGJRFIASBBMISP-KKOKHZNYSA-N 317.349 -0.773 30 20 DBED Cc1cc(=NC[C@H](O)CNC(=O)c2ccnnc2)c(C#N)c[nH]1 1106114776 QXWVGTAXSINEPT-ZDUSSCGKSA-N 312.333 -0.324 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@H](O)CNc1cc(F)ncn1 1106154489 JLVBQLMHIGOOIR-RYUDHWBXSA-N 321.356 -0.398 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)c1nnn(C)c1C 1106713497 OIEHLEWRMWGNNW-UHFFFAOYSA-N 314.353 -0.219 30 20 DBED CO[C@@H](C)CN1CC(n2cc(CNC(=O)[C@H](C)C#N)nn2)C1 1107149495 HEHKPBKNCBOWPP-MNOVXSKESA-N 306.370 -0.054 30 20 DBED C[C@H](CNc1cncc(C#N)n1)NC(=O)[C@H]1CN(C)CCO1 1107667234 SOSBENLBOCOQHJ-ZYHUDNBSSA-N 304.354 -0.405 30 20 DBED C#CCCN1CCO[C@@](C)(CNC(=O)[C@H]2CN(C)C(=O)N2)C1 1108120145 WPDWKGKLFDKRCY-DOMZBBRYSA-N 308.382 -0.760 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)c2ccc(=O)n(CC)n2)C1 1108284738 YSHQZIBFHMYGSP-MRXNPFEDSA-N 318.377 -0.283 30 20 DBED C=CCN1CCN(C(=O)C[C@@H](C)OC)[C@@H]2CS(=O)(=O)C[C@@H]21 1108463508 PQCKXAOQYDGFDP-FRRDWIJNSA-N 316.423 -0.093 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)COC(C)(C)C)CC2=O)C1 1108536327 DMUADXCCEWTWQQ-GFCCVEGCSA-N 307.394 -0.164 30 20 DBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CC(=O)NC 1109190930 RUGLYXXHCXBKNX-WOPDTQHZSA-N 308.382 -0.854 30 20 DBED CC(=O)N(C)CC(=O)N(C)CCCN=c1cc[nH]c(C#N)n1 1109365823 GWELFURACLMGLI-UHFFFAOYSA-N 304.354 -0.491 30 20 DBED C[C@@H](CC(=O)NCC1(N=c2cc[nH]cc2C#N)CC1)NC(N)=O 1110237360 LWEWZUREGYGCHR-JTQLQIEISA-N 316.365 -0.117 30 20 DBED CC(=O)N(C)CC(=O)N[C@@]1(C)CCN(c2nccnc2C#N)C1 1110722551 MEPFNWKDDURJBF-HNNXBMFYSA-N 316.365 -0.088 30 20 DBED N#Cc1ccc(NC2(CNC(=O)CC(N)=O)CCOCC2)nn1 1110979477 MOXFLZYHKHQXAV-UHFFFAOYSA-N 318.337 -0.699 30 20 DBED Cc1cc(C(=O)N(CCO)CCN=c2cc[nH]cc2C#N)n[nH]1 1111438903 FKHGMMXZBOVMAQ-UHFFFAOYSA-N 314.349 -0.047 30 20 DBED Cn1cc(C(=O)N(CCO)CCN=c2cc[nH]cc2C#N)nn1 1111460987 SXGGCCHBSGGNRR-UHFFFAOYSA-N 315.337 -0.950 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)[C@H](C)n2cccn2)CC1 1112624280 VJVYSXXFBROVIP-KGLIPLIRSA-N 317.393 -0.274 30 20 DBED CCOCC(=O)NC[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1O 1112692345 LZWOMRQFGUMTLL-CHWSQXEVSA-N 304.350 -0.097 30 20 DBED C=CCOCC(=O)N1CCN(C[C@H](O)Cn2cccn2)CC1 1112703659 BVFOMSJCSLADMY-AWEZNQCLSA-N 308.382 -0.409 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)c2ncccn2)CC1 1113451164 BIACOGNYMAZCRT-GFCCVEGCSA-N 301.350 -0.628 30 20 DBED CO[C@H]1CCCC[C@H]1C(=O)N1CCN(CC(=O)NCC#N)CC1 1113701822 MBQFELYMLSSGGO-KGLIPLIRSA-N 322.409 -0.024 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)CSCC#N)[C@H]2C1 1113899394 LYJNKVJSXUJPFR-NMKXLXIOSA-N 320.418 -0.573 30 20 DBED C#CCOCCC(=O)NC1[C@H]2CN(CCN3CCCC3=O)C[C@H]12 1114262975 NGCUPJRHVDTDSN-KBPBESRZSA-N 319.405 -0.305 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)c3ccsn3)[C@H]2C1 1114450318 ZHMKDNXGBOFRDG-MEWQQHAOSA-N 318.402 -0.059 30 20 DBED C=C(C)CN1C[C@@H]2C(NC(=O)CS(=O)(=O)CCOC)[C@H]2C1 1114480485 OZPQIXXCGOZSQY-RYUDHWBXSA-N 316.423 -0.330 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2[C@@H]3CN(C[C@H](O)COC)C[C@@H]32)nc1 1115139923 NLLUTZUDGMNPST-TTZDDIAXSA-N 315.373 -0.270 30 20 DBED CN(CCOCCNC(=O)[C@@H]1CCOC1)c1nccnc1C#N 1115180888 WUFILKGCTYUWPO-GFCCVEGCSA-N 319.365 -0.046 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)CN3CCCC3)[C@H]2C1 1115243518 PHBFJUIMUNKQNJ-NYTXWWLZSA-N 318.421 -0.734 30 20 DBED C#C[C@H](NC(=O)C(=O)NCCNC(=O)C(C)C)[C@H]1CCCO1 1117527652 BQTCFWJXFRWJAP-NWDGAFQWSA-N 309.366 -0.828 30 20 DBED CC#CCN(C)C(=O)C(=O)N1CCN(C[C@@H]2CCCO2)CC1 1117877813 AVQFIIICHWULMC-AWEZNQCLSA-N 307.394 -0.209 30 20 DBED CC#CCn1nnnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1120247581 XDGODBNZOXIDBD-NSHDSACASA-N 312.399 -0.538 30 20 DBED Cc1ocnc1C(=O)NC[C@@H](CO)Nc1cnc(C#N)cn1 1121164955 IGVJMFNWEHSSRL-JTQLQIEISA-N 302.294 -0.153 30 20 DBED N#Cc1nccnc1N[C@@H](CO)CNC(=O)C12CCN(CC1)C2 1121807445 VHWAXQYKUGUDJU-LLVKDONJSA-N 316.365 -0.667 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)c2cncnc2O)cn1 1122170659 LPPJZZOMCPQHMU-LLVKDONJSA-N 314.305 -0.348 30 20 DBED COc1nc(C(=O)NC[C@@H](CO)Nc2nccnc2C#N)co1 1122286176 MESJKKITFDUUID-QMMMGPOBSA-N 318.293 -0.452 30 20 DBED Cc1n[nH]cc1C(=O)NC[C@H](CO)N=c1cc[nH]cc1C#N 1122292133 FBDPFKBMVLRGGZ-LLVKDONJSA-N 300.322 -0.391 30 20 DBED CO[C@@H](CC(C)C)C(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1 1122487708 MLZNMQDFHYDQBD-RYUDHWBXSA-N 321.381 -0.280 30 20 DBED CN(C[C@@H](O)CNc1nccnc1C#N)C(=O)Cc1cnoc1 1124689644 XELWNULPORCGBV-NSHDSACASA-N 316.321 -0.190 30 20 DBED C=C(C)CN(CC)C(=O)CNCCNC(=O)[C@@H]1CCNC(=O)C1 1125615818 UITWKVMFJFAIFG-CYBMUJFWSA-N 324.425 -0.357 30 20 DBED C#CCNC(=O)CC(=O)NCCN[C@@H](C)c1nnc(C)s1 1125982033 PIFSDWYMCHTOMA-VIFPVBQESA-N 309.395 -0.247 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cnc2n1[C@@H](C)CCC2 1127791262 JHHLFDPABFNUKI-LBPRGKRZSA-N 317.393 -0.151 30 20 DBED C#CCC1(C(=O)NCCNCCNS(=O)(=O)CC)CCC1 1129124637 BHRYBMXLBUBRBS-UHFFFAOYSA-N 315.439 -0.175 30 20 DBED C#CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)CCN(C)C)C1 1129228316 NGJJRILMSWWVQS-KGLIPLIRSA-N 304.398 -0.405 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1cnc2cc[nH]c2c1 1130085529 LYWBJCVFVCQLPG-UHFFFAOYSA-N 300.322 -0.478 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cc(C(C)(C)C)n[nH]1 1130732311 JOTGEUZPWSKUSG-UHFFFAOYSA-N 305.382 -0.224 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@H]2C[C@@H]3CN(CCO)C[C@]2(C1)O3 1131231210 WQGQKCNUKVLBRD-DSJMHWKBSA-N 308.378 -0.681 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC(=O)NCCN(CC#CC)CC1 1131360523 XOZLHDDVWGRIFZ-HNNXBMFYSA-N 319.405 -0.302 30 20 DBED Cc1nn(C)c(C)c1CCC(=O)NCCNCC(=O)NCC#N 1132032932 ULSZDZFYPSCDEI-UHFFFAOYSA-N 320.397 -0.685 30 20 DBED Cc1nn[nH]c1C(=O)N[C@H]1CC[C@@H](C)N(CC(=O)NCC#N)C1 1132215072 RHDPAQHRGCINKN-KOLCDFICSA-N 319.369 -0.664 30 20 DBED C#CCNC[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)CC[C@H]1C 1132927519 GFRGHBMVTGUKCS-CHWSQXEVSA-N 305.382 -0.711 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)c1cc(C)n(C)n1 1133829818 IIJHGSSICMSDMW-RYUDHWBXSA-N 319.409 -0.036 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)C[C@@H](C)NCc1nccn1C 1134131342 VAQAKYDWFSLMEH-CHWSQXEVSA-N 319.409 -0.068 30 20 DBED N#CCNC(=O)CN1CCC2(C1)CN(C(=O)c1ccon1)C2 1147080163 XGHQMPLGPSCMHV-UHFFFAOYSA-N 303.322 -0.538 30 20 DBED C=CCOCCN1CCCO[C@@H](CNC(=O)Cc2nc[nH]n2)C1 1150580154 SDUADCFSVQCIGW-ZDUSSCGKSA-N 323.397 -0.243 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)CCN2CCCC2=O)C1=O 1151354033 JLMNDGFYVPFIOP-CYBMUJFWSA-N 322.409 -0.508 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@@H](CC)N1CCCC1=O 1151540818 WYZZMASTNJKFMW-GFCCVEGCSA-N 310.398 -0.605 30 20 DBED C[C@@H]1c2ccccc2O[C@@H]1C(=O)NCCNCC(=O)NCC#N 1153642175 RVZBXXXOCANMBN-ABAIWWIYSA-N 316.361 -0.103 30 20 DBED C#CCN(CC)[C@H](C)CNC(=O)[C@H]1CC(=O)N(CCOC)C1 1153682306 AAOWXSSDSPQREH-KGLIPLIRSA-N 309.410 -0.059 30 20 DBED C#CCNC(=O)CC(=O)NCCCNCc1nnc(CC)o1 1156857554 UUJMXLJTFVSUHO-UHFFFAOYSA-N 307.354 -0.633 30 20 DBED C#CCCCC(=O)NCCCNCCNS(=O)(=O)CC 1157174966 BBYHSGDGDRHTAP-UHFFFAOYSA-N 303.428 -0.175 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@H]1CCn2cncc2C1 1161209655 UIYDBYVFZSZSNR-ZDUSSCGKSA-N 317.393 -0.709 30 20 DBED C#CCN1CCC(CNC(=O)[C@@H](C)CC(N)=O)(COC)CC1 1162400840 JJEHNHGRAGIQCR-ZDUSSCGKSA-N 309.410 -0.024 30 20 DBED CCNC(=O)NC(=O)CNCC1(CCNC(=O)[C@@H](C)C#N)CC1 1163854264 LWALUCBFYNZIAU-NSHDSACASA-N 323.397 -0.132 30 20 DBED COCC#CCNCC1(CCNC(=O)[C@H]2CCNC2=O)CC1 1166559054 AMZSJFWSFVMXTG-ZDUSSCGKSA-N 307.394 -0.352 30 20 DBED CC(C)N1CCC(C(=O)NCCCNCC(=O)NCC#N)CC1 1169940521 HEALCRRZSOAFEI-UHFFFAOYSA-N 323.441 -0.158 30 20 DBED C#CCNCCCC[C@H](C)NC(=O)c1cn(C)c(=O)n(C)c1=O 1175539096 UEWLYKXMEQJQES-LBPRGKRZSA-N 320.393 -0.405 30 20 DBED C=CCNC(=O)CNCCCC[C@H](C)NC(=O)c1cnn(C)n1 1175696905 YYAXROZDHJDHQN-LBPRGKRZSA-N 322.413 -0.005 30 20 DBED C[C@H](CCCCNCC#N)NC(=O)CN1CC(=O)N(C)C1=O 1176135102 DBOSQTLAWPXHLJ-LLVKDONJSA-N 309.370 -0.331 30 20 DBED C#CCCN1CCO[C@H]2CCN(C(=O)CNC(=O)C3CC3)C[C@H]21 1176936045 BPPNYTJTGBYOBP-CABCVRRESA-N 319.405 -0.162 30 20 DBED CN1CCC[C@H]1C(=O)NCCCCCCNCC(=O)NCC#N 1178045729 SYJXBIIECUDWLK-AWEZNQCLSA-N 323.441 -0.013 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2coc(C)n2)C1 1182156066 BVXMAFIXZNJOMN-ZYHUDNBSSA-N 304.350 -0.075 30 20 DBED CNS(=O)(=O)CCC(=O)N1CC[C@@H](CNCC#N)[C@H](C)C1 1184412597 UGSFIWITKPSVDD-NEPJUHHUSA-N 316.427 -0.477 30 20 DBED C=CCNC[C@H]1CCN(C(=O)Cn2ncn(C)c2=O)C[C@H]1C 1184684320 ONNZXLJKLIVUDP-CHWSQXEVSA-N 307.398 -0.158 30 20 DBED C=CCNC(=O)CNC[C@H]1CCN(C(=O)c2nc[nH]n2)C[C@H]1C 1185361140 VDTAIJZRSCIHPX-VXGBXAGGSA-N 320.397 -0.205 30 20 DBED C[C@@H]1CN(C(=O)COCc2ncnn2C)CC[C@H]1CNCC#N 1185422339 DCAWDXUIYHRRAP-OLZOCXBDSA-N 320.397 -0.071 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)[C@@H](OC)C2CC2)C1 1189909079 AOOAGYFUYSNWCR-ZFWWWQNUSA-N 307.394 -0.307 30 20 DBED C#CCCN1C[C@@H]2CCN(C(=O)CS(=O)(=O)N(C)C)[C@@H]2C1 1189992961 VAKPMKOJIUYQFS-QWHCGFSZSA-N 313.423 -0.566 30 20 DBED CC#CCN(C)[C@H]1CCN(C(=O)CS(=O)(=O)CCOC)C1 1190973523 PELWRPNGYKYWNN-ZDUSSCGKSA-N 316.423 -0.396 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CN(CCCN2CCCC2=O)C[C@H]1O 1191880985 DTWCWLFWZGNNCW-YNEHKIRRSA-N 308.382 -0.680 30 20 DBED C[C@H](CC(=O)N[C@@H]1CN(CC#N)C[C@H]1O)N1CCCCC1=O 1192944959 WLOMTQNZKBMUTD-JHJVBQTASA-N 308.382 -0.538 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCCN(C(=O)c2cnn(C)c2)CC1 1194777154 DPGYYTLEWRBOHC-CYBMUJFWSA-N 317.393 -0.294 30 20 DBED COCC#CCN1CCCN(C(=O)[C@H]2C[C@@H]2C(=O)OC)CC1 1195191929 RKWOBCASNNFBHG-KBPBESRZSA-N 308.378 -0.020 30 20 DBED C=CCC(C)(C)C(=O)N[C@@H]1CN(CCS(C)(=O)=O)C[C@H]1O 1196469345 STGRDDKGQKPMEC-VXGBXAGGSA-N 318.439 -0.205 30 20 DBED C=C(C)CCN1CCCN(C(=O)C[C@H](NC(C)=O)C(N)=O)CC1 1197354598 ZDNPKQQOYPTEJA-AWEZNQCLSA-N 324.425 -0.133 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)[C@H](C)c2cccnc2)C1 1197866059 CIIDQGVCBKRZGI-FVQBIDKESA-N 317.389 -0.004 30 20 DBED C=CCNC(=O)[C@@H](C)NC1CCN(C(=O)[C@H]2CCC(=O)N2)CC1 1199768397 OYRZAPXPTPGAKW-DGCLKSJQSA-N 322.409 -0.464 30 20 DBED CCS(=O)(=O)NCCNC1CCN(C(=O)[C@@H](C)C#N)CC1 1199816810 LWXSDBLWOOPOJS-NSHDSACASA-N 316.427 -0.334 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC(NCc2nnnn2C)CC1 1200495275 NZUCFORZLLWVPJ-NSHDSACASA-N 306.370 -0.671 30 20 DBED N#CCNC[C@H]1CN(C(=O)Cn2cc(C3CC3)nn2)CCCO1 1200687639 DPTFDDLMHFABRY-ZDUSSCGKSA-N 318.381 -0.114 30 20 DBED COCC#CCNC[C@H]1CN(C(=O)c2ccncn2)CCCO1 1201679765 YYGYEYCMPSJBNI-AWEZNQCLSA-N 318.377 -0.053 30 20 DBED CC#CCNC1CCN(C(=O)COCc2nncn2C)CC1 1203153863 TZAYMNFRAIRCBI-UHFFFAOYSA-N 305.382 -0.064 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)c2cncn2C)CC1 1205629970 HMGVSOYAONEVOB-UHFFFAOYSA-N 317.393 -0.389 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@H](C)OCC#C)C1 1208018412 OPVGKIXMLLPHOM-UONOGXRCSA-N 305.378 -0.645 30 20 DBED N#CCNC(=O)CN[C@H]1CCCN(C(=O)c2ccsn2)C1 1208397265 QJRIZRMRDWNDJT-JTQLQIEISA-N 307.379 -0.023 30 20 DBED C=CCCN1C[C@@H](NC(=O)[C@H](CCC(N)=O)NC(C)=O)[C@H](C)C1 1209530172 GPCVITACSBGSNB-KWCYVHTRSA-N 324.425 -0.231 30 20 DBED C#CCN[C@@H]1CCCN(C(=O)CCNC(=O)c2cnccn2)C1 1211167410 ACZJXDHNBAIPFN-CYBMUJFWSA-N 315.377 -0.190 30 20 DBED CO[C@@H]1CN(CC(=O)NC2CC2)C[C@H]1NC(=O)C#CC(C)C 1212234133 NUDFCBAWSOSNHS-ZIAGYGMSSA-N 307.394 -0.260 30 20 DBED C#CCCN1C[C@@H](NC(=O)COC[C@H]2CCOC2)[C@H](OC)C1 1213513811 GURFKKIUNXGBRN-RRFJBIMHSA-N 310.394 -0.122 30 20 DBED CC#CCN1C[C@@H](NC(=O)C2(C(=O)N(C)C)CC2)[C@H](OC)C1 1213702434 KJXKVLMYLPXCQL-CHWSQXEVSA-N 307.394 -0.307 30 20 DBED CC#CCCCC(=O)N1C[C@@H](NCC(=O)NC(N)=O)[C@H](C)C1 1215362127 VUIIAWDKNQPULP-VXGBXAGGSA-N 308.382 -0.189 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)c2ccc(=O)n(C)n2)C[C@H]1C 1216696804 UAHYIAWXMNUMQT-TZMCWYRMSA-N 318.377 -0.520 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)c2cccs2)C1 1219123198 VCBQHHSMTCEJCB-UTUOFQBUSA-N 321.402 -0.339 30 20 DBED C[C@@H](C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@@H]1O)C(C)(F)F 1220381534 RYSHSYRGIDPSOM-AEJSXWLSSA-N 318.324 -0.921 30 20 DBED Cc1nn(C)c(C)c1C[C@H](C)C(=O)N[C@@H]1CN(CC#N)C[C@@H]1O 1221020499 XEVNDIDEHZFWGV-VQISRLSMSA-N 319.409 -0.100 30 20 DBED N#CCNC(=O)CN1CC[C@@H]2CN(C(=O)C[C@H]3CCCO3)[C@@H]2C1 1221307250 LJYJWLZYESGBGP-MGPQQGTHSA-N 320.393 -0.272 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)[C@@H](OC)C(C)C)[C@@H]2C1 1221790362 LUZQFBAIZVFDKK-FMKPAKJESA-N 321.421 -0.061 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC(CNC(=O)c2cc[nH]n2)CC1 1222441027 YWLSVTYVFVJWFK-LBPRGKRZSA-N 317.393 -0.011 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)C2CC(OC)C2)CC1 1223541235 LNOIYWSOQXLTOG-UHFFFAOYSA-N 321.421 -0.011 30 20 DBED CN(C)S(=O)(=O)CCC(=O)NCC1CCN(CC#N)CC1 1225535050 UQTMVJQQJMTOFI-UHFFFAOYSA-N 316.427 -0.380 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC(NC(=O)[C@@H]2CCOC2)CC1 1226395354 UXJPPFKGEZMCQJ-QWHCGFSZSA-N 307.394 -0.259 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)[C@H](OC)C2CC2)CC1 1227161228 DNOWKERAHAHXPP-OAHLLOKOSA-N 307.394 -0.259 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@@H]1CN(C)C(=O)C1=COCCO1 1230654179 LVKBWQCQGKTHSN-CHWSQXEVSA-N 321.377 -0.455 30 20 DBED COCC#CCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC(=O)N1 1235635020 VBVAGQFKLMYAIU-ZIAGYGMSSA-N 307.394 -0.162 30 20 DBED O=C1C=CC=N/C1=C(/O)NCCNS(=O)(=O)NC1CC1 1254656097 XBUNBNWCAIPCST-ZHACJKMWSA-N 300.340 -0.901 30 20 DBED N#CCCCS(=O)(=O)NCC1(OCCO)CCOCC1 1321234576 YBCWAFFXRTXUJT-UHFFFAOYSA-N 306.384 -0.232 30 20 DBED N#CC1CCN(C(=O)C(=O)N[C@@H]2CCCS(=O)(=O)C2)CC1 1323431358 BBUKFNDIAPARJV-LLVKDONJSA-N 313.379 -0.558 30 20 DBED C=CCCOCCNC(=O)C(=O)N1CCc2nnc(O)cc2C1 1323444375 WZTOCTVBLBEDGB-UHFFFAOYSA-N 320.349 -0.224 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCC[C@@H](c2cc[nH]n2)C1 1324877215 AORWLKJLXXOVTD-GFCCVEGCSA-N 304.350 -0.118 30 20 DBED CN(C)C(=O)CCCNC(=O)C(=O)Nc1cccc(C#N)n1 1326039267 WDBQGXOUQILMRQ-UHFFFAOYSA-N 303.322 -0.124 30 20 DBED C=CCN1CC(=O)N(c2ccn(CCS(C)(=O)=O)n2)C1=O 1326171518 IIAIDKIMFSQHCS-UHFFFAOYSA-N 312.351 -0.118 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N[C@@H]1C[C@@H]2CCCCN2C1=O 1328967539 GGTRWTDHWXYDFB-QWHCGFSZSA-N 323.393 -0.083 30 20 DBED C[C@H](CNC(=O)C(=O)N1CCC[C@](C)(C#N)C1)S(C)(=O)=O 1329218319 GIHQTQQKRRNGSF-ZWNOBZJWSA-N 315.395 -0.312 30 20 DBED C[C@H](O)CN1CCN(C(=O)C(=O)N2CCC[C@](C)(C#N)C2)CC1 1331141453 RKLGUURFZFQEAZ-XJKSGUPXSA-N 322.409 -0.336 30 20 DBED C=CCn1cc(C(=O)NCCCCn2cc(C(N)=O)nn2)nn1 1332470606 RAIJYYGODFICQZ-UHFFFAOYSA-N 318.341 -0.635 30 20 DBED C#CCNC(=O)CN1CCN(c2nnnn2C(C)(C)CC)CC1 1333717946 SLIGKZMNYDQKBF-UHFFFAOYSA-N 319.413 -0.310 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N[C@H]1CCCN(CC)C1=O 1335101626 VPVXVENOBSKIIU-ZDUSSCGKSA-N 323.393 -0.388 30 20 DBED C#CC[C@H](NC(=O)[C@H]1CC(c2cnn(C)c2)=NO1)C(=O)OC 1337269069 XSBPIXVWTBMIFA-CMPLNLGQSA-N 304.306 -0.406 30 20 DBED C#CCN(CC)c1nnc(Cc2nn[nH]n2)n1C[C@H]1CCOC1 1346804956 RAVFADFWXIPMGT-LLVKDONJSA-N 316.369 -0.122 30 20 DBED N#Cc1cccc(C(=O)N2CCS(=O)(=O)[C@H]3COCC[C@H]32)n1 1363252113 VZGWSYADPCFFJO-OLZOCXBDSA-N 321.358 -0.019 30 20 DBED CC(C)(C#N)CS(=O)(=O)NC[C@H](O)CN1CCCC1=O 1363789886 YVLZLGAKQOJIPW-JTQLQIEISA-N 303.384 -0.561 30 20 DBED Cn1nnc2c1CC[C@H](Nc1[nH]c(=O)n(C)c(=O)c1C#N)C2 1364211962 OTYYBNZAPWGWIK-ZETCQYMHSA-N 301.310 -0.957 30 20 DBED CCN(CCC#N)C(=O)CNC[C@@H](C)NC(=O)c1cc[nH]n1 1367655545 HZJHWHSEZGRSRB-LLVKDONJSA-N 306.370 -0.120 30 20 DBED Cc1nonc1CC(=O)N(C)C[C@@H](O)CNC(=O)[C@@H](C)C#N 1371031265 MNDGMEDJVNEHMP-WPRPVWTQSA-N 309.326 -0.984 30 20 DBED C[C@@H](C#N)C(=O)NC1CN(C(=O)[C@@H]2CCc3nncn3C2)C1 1374750326 MZACJCMGRXMKRC-VHSXEESVSA-N 302.338 -0.673 30 20 DBED C[C@H](NC(=O)c1ccco1)C(=O)N1CC(NC(=O)[C@H](C)C#N)C1 1387807518 YCLCXAPMHAFOSC-ZJUUUORDSA-N 318.333 -0.115 30 20 DBED CC(=O)N(C)CC(=O)NC[C@H](C)CNC(=O)c1ccc(C#N)[nH]1 1388399562 PKLNZVJYPCTGSY-JTQLQIEISA-N 319.365 -0.153 30 20 DBED CN(CCNC(=O)c1cc(C#N)c[nH]1)C(=O)CCn1ccnn1 1397886730 CLRZHHMYNPFBEI-UHFFFAOYSA-N 315.337 -0.244 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1ccnc(N(C)C)c1 1399871109 NPTGEGSVGBLQEX-ZYHUDNBSSA-N 319.365 -0.486 30 20 DBED CC(=O)NCC(=O)N1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 1407021089 PSOGPNWTNFCCKM-UHFFFAOYSA-N 303.322 -0.693 30 20 DBED C[C@H](C#N)C(=O)NCCN(C)C(=O)CCn1ccccc1=O 1408674377 XTRAUBNUWIFLQM-GFCCVEGCSA-N 304.350 -0.027 30 20 DBED C[C@H](C#N)C(=O)NCC1CN(C(=O)COC2CCOCC2)C1 1409176300 WQYVSUDHUKVUAG-LLVKDONJSA-N 309.366 -0.084 30 20 DBED CNC(=O)CN1CCN(C(=O)Nc2ccnc(C#N)c2)CC1 1413607723 SNRMACIQHLRREI-UHFFFAOYSA-N 302.338 -0.151 30 20 DBED CC(C)C1(O)CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)CC1 1413802530 RJKPWISLDMUTPK-UHFFFAOYSA-N 320.349 -0.170 30 20 DBED N#Cc1ccc(CN2CC[C@@H]2CNC(=O)Cn2ncnn2)cc1 1420830384 FHWJXHXYHURKAE-CQSZACIVSA-N 311.349 -0.065 30 20 DBED CC(C)CNC(=O)CNCC1(O)CCN(C(=O)[C@H](C)C#N)CC1 1422096806 LAWCFPRGOTZCLS-CYBMUJFWSA-N 324.425 -0.139 30 20 DBED COC(=O)[C@](C)(CO)NS(=O)(=O)c1ccccc1CC#N 1424198875 SIMGQMWCWKKYOB-ZDUSSCGKSA-N 312.347 -0.045 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](C1CC1)N(C)C(=O)CS(C)(=O)=O 1424892450 LYJWFVRHDHAAGI-ONGXEEELSA-N 315.395 -0.456 30 20 DBED CCN1CCOC[C@H]1C(=O)N1CCC(NC(=O)[C@H](C)C#N)CC1 1429665991 BUWYMUWGBGYXHB-OCCSQVGLSA-N 322.409 -0.026 30 20 DBED COC[C@H](OC)C(=O)NC[C@@H](C)NC(=O)c1cc(C#N)c[nH]1 1433388249 ZWSQPKLNZOPINP-SKDRFNHKSA-N 308.338 -0.218 30 20 DBED C[C@H](C(=O)N[C@@H]1C[C@@H]2CCCCN2C1=O)n1cnc(C#N)n1 1433495038 BFDOAWDMWYHWNE-OUAUKWLOSA-N 302.338 -0.020 30 20 DBED N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)C1=COCCO1 1434849162 JCQGGTXBUMTPND-UHFFFAOYSA-N 305.294 -0.055 30 20 DBED C=C(Cl)CN[C@@H](C)CNC(=O)CN1CCCS1(=O)=O 1437154277 WBWZLMPBMIJLFZ-JTQLQIEISA-N 309.819 -0.131 30 20 DBED CCNC(=O)NC(=O)CN1CCC(N(C)C(=O)[C@H](C)C#N)CC1 1440983501 FUBNNQXNUFJZLZ-LLVKDONJSA-N 323.397 -0.085 30 20 DBED C=C(Br)CNC[C@H](O)CNC(=O)c1cnnn1C 1482725420 WDAXBBKVZRRNAJ-QMMMGPOBSA-N 318.175 -0.596 30 20 DBED CS(=O)(=O)CC(=O)N[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 1493849164 IWKOHHVCPNECSI-JTQLQIEISA-N 324.362 -0.738 30 20 DBED C[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)o1)C(=O)O 1571123824 WSKCBDUYOQJHNS-BQBZGAKWSA-N 315.307 -0.593 30 20 DBED C=C(C)CCN[C@@H](CO)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 1573293815 KFPJSLKJOMUVNR-LLVKDONJSA-N 319.369 -0.159 30 20 DBED C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN[C@@H](C)C1 1574947631 IJXXQXKPLCAMHS-NSHDSACASA-N 313.427 -0.015 30 20 DBED COCc1n[nH]c(CNC(=O)C2CC3(CNC[C@@H]3C#N)C2)n1 1579103488 ALSSIMXHBOESSW-XIRUVYRFSA-N 304.354 -0.293 30 20 DBED N#Cc1ncc(N2CCC(n3ccnn3)CC2)nc1-c1nn[nH]n1 1581882163 NHWDOAWVFXHLCE-UHFFFAOYSA-N 323.324 -0.039 30 20 DBED C#CC[C@@H](NC(=O)[C@@H]1CC(c2cn(C)nc2C)=NO1)C(=O)O 1588406671 SBOWCAXGNCUPKF-PWSUYJOCSA-N 304.306 -0.186 30 20 DBED C=CC(C)(C)CC(=O)NCC1(O)CN(C(=O)[C@H]2C[C@@H]2C(=O)O)C1 1588672891 DBPLJFXZFLBGIV-QWRGUYRKSA-N 324.377 -0.001 30 20 DBED C[C@@H](O)[C@H]1CN(c2cnc(-c3nn[nH]n3)c(C#N)n2)CCO1 1589996663 SIBSRENHXXSQTN-VXNVDRBHSA-N 302.298 -0.886 30 20 DBED N#CCNC[C@H]1C[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1592678672 IVMGNITZLZDVBT-CZMCAQCFSA-N 300.326 -0.184 30 20 DBED CN(C(=O)[C@@](C)(C#N)CC(=O)O)[C@@H]1CCN(S(C)(=O)=O)C1 1593676442 PNVCPLZEMCRHLK-BXKDBHETSA-N 317.367 -0.517 30 20 DBED CCOC(=O)N1CSC[C@@H]1C(=O)N(CC#N)CC(=O)O 1596655191 MXGGPWXHMBCNGI-MRVPVSSYSA-N 301.324 -0.045 30 20 DBED N#Cc1ccc(NC(=O)C(=O)N2C[C@@H](O)C[C@@H](C(=O)O)C2)cc1 1601106872 IAQLLQWPXBSZFI-PWSUYJOCSA-N 317.301 -0.209 30 20 DBED C#CCN(C)C(=O)C(=O)N1Cc2ccc(-c3nn[nH]n3)cc2C1 1602716705 MPKBAJNSQFPERM-UHFFFAOYSA-N 310.317 -0.200 30 20 DBED C[C@@H](C#N)C(=O)N(C)C[C@H](O)CN(C)c1ncc(C(=O)O)cn1 1603130531 XYBFXBXBADABKD-ONGXEEELSA-N 321.337 -0.410 30 20 DBED Cn1c(C#N)ccc1C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)O 1605467127 BYNNCBNGVSBIRQ-SNVBAGLBSA-N 311.319 -0.779 30 20 DBED N#Cc1ccc(S(=O)(=O)N2CCC(O)(C(=O)O)CC2)o1 1610629970 HJBRJVRHBVDKMO-UHFFFAOYSA-N 300.292 -0.249 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)[C@@H]2CN(CC)CCO2)C1 1690111023 HXTKTKZDQHNIRF-KBPBESRZSA-N 324.425 -0.800 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@@H]2CN(C[C@@H](O)COC)C[C@@H]2C1 1699987063 FIDPMBKEUBRERT-APIJFGDWSA-N 310.394 -0.578 30 20 DBED CCc1nnsc1C(=O)N[C@@H]1CCN(CC(=O)NCC#N)C1 1713083513 CZDKNVOFCZZSAP-SECBINFHSA-N 322.394 -0.456 30 20 DBED C[C@@H](NCC#N)[C@@H]1CCCCN1C(=O)Cn1ccc(O)nc1=O 1752142454 JGNCHPSAOKLJDQ-NEPJUHHUSA-N 319.365 -0.168 30 20 DBED C#CCN[C@@H](C)[C@@H]1CCCCN1C(=O)Cn1c(O)nnc1O 1752153948 APQICEULEAPMTR-QWRGUYRKSA-N 307.354 -0.318 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CCCOC1 1752532876 WGYHRPGYTPDJFT-SOUVJXGZSA-N 319.405 -0.162 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1C[C@H](NC(=O)c2nocc2C)C1 1752674869 RIVXPSVUCHLQJI-SRVKXCTJSA-N 304.350 -0.029 30 20 DBED C#CCN1CCC(C(=O)NCCN(C)Cc2cnn(C)n2)CC1 1753074327 HPDYMOOQSVAQBD-UHFFFAOYSA-N 318.425 -0.292 30 20 DBED Cc1ccc(C(=O)N(C)CCNCC(=O)NCC#N)nc1C 1753211950 HRFWBDCLTICUCH-UHFFFAOYSA-N 303.366 0.000 30 20 DBED C#CCOCCC(=O)NCC1CN(Cc2cnnn2CC)C1 1753403511 YEUDEIVGVDDQAZ-UHFFFAOYSA-N 305.382 -0.114 30 20 DBED C[C@H](CCNCCCN1C(=O)CNC1=O)NC(=O)C#CC1CC1 1753964735 MIUNLDOVSJRXIC-GFCCVEGCSA-N 320.393 -0.174 30 20 DBED COCC#CCNC/C=C/CNC(=O)c1ccc(C(N)=O)cn1 1754213571 WPOLJUSOAQCXGA-NSCUHMNNSA-N 316.361 -0.294 30 20 DBED Cc1nc(C(=O)N[C@H](C)CN(C)CC(=O)NCC#N)c(C)o1 1754329343 ZUXRKWKGXJYUKD-SECBINFHSA-N 307.354 -0.019 30 20 DBED C#CCCCCC(=O)NCC1(O)CN([C@H]2CCC(=O)NC2=O)C1 1754775330 UNWQXTWZTMPIPU-LBPRGKRZSA-N 321.377 -0.852 30 20 DBED CNC(=O)NCC(=O)N1CCC[C@@H]2[C@@H]1CCN2CC#CCOC 1754864273 ARXFDVZSCSDLNL-KGLIPLIRSA-N 322.409 -0.370 30 20 DBED Cc1[nH]ccc1C(=O)NC[C@H]1COCCN1CC(=O)NCC#N 1754965110 GSNMHSTUYKKFBA-LBPRGKRZSA-N 319.365 -0.607 30 20 DBED C[C@H](C#N)C(=O)NCCOCCN(C)[C@@H]1CCC(=O)NC1=O 1755539974 WJXPNIHTAPJBOS-GHMZBOCLSA-N 310.354 -0.984 30 20 DBED C[C@@H](CN(C)C(=O)[C@H]1C[C@@H]1C(F)F)NCC(=O)NCC#N 1755585169 LHQCIKLVAXTWLF-GUBZILKMSA-N 302.325 -0.036 30 20 DBED CC(C)C#CC(=O)NCC1CC(NC(=O)Cn2cnnn2)C1 1755929096 HWNNSXZLSSAYPD-UHFFFAOYSA-N 304.354 -0.657 30 20 DBED C=C[C@](C)(O)CC(=O)NC1(CCO)CN(C(=O)[C@H](C)OC)C1 1756080470 WCMFBTINDVZVLN-FZMZJTMJSA-N 314.382 -0.572 30 20 DBED Cn1ccnc1CCC(=O)NC[C@H](CO)NC(=O)C#CC1CC1 1756540070 ISGACQIDEPZOJY-CYBMUJFWSA-N 318.377 -0.641 30 20 DBED C=CCCOCC(=O)N[C@@H]1C[C@@H](C)N(C(=O)CNC(C)=O)C1 1756576414 SCUFGUCELFCCOM-DGCLKSJQSA-N 311.382 -0.179 30 20 DBED CN(C[C@@H](O)CNC(=O)c1ccon1)C(=O)CSCC#N 1756653824 MGKJMEXPIVHUMK-VIFPVBQESA-N 312.351 -0.520 30 20 DBED CN(C[C@@H](O)CNC(=O)c1cnnc(O)c1)C(=O)C#CC1CC1 1756661583 BAAJECOCVSETHJ-LBPRGKRZSA-N 318.333 -0.855 30 20 DBED CS(=O)(=O)Nc1ccc(C(=O)N2CC[C@](O)(CC#N)C2)cn1 1771823078 ZDEYNVSUWJPMNN-CYBMUJFWSA-N 324.362 -0.056 30 20 DBED C[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)S)[C@H]2C1 1791266035 XLMBJXWYXCSCFP-GCHJQGSQSA-N 316.423 -0.335 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccns1 1794536100 STWAYCVGQWWZRQ-DDFAGTSDSA-N 305.359 -0.021 30 20 DBED COC1CCN(CCNS(=O)(=O)N(C)CCC#N)CC1 80284425 ZENMEYPGZQHKFZ-UHFFFAOYSA-N 304.416 -0.223 30 20 DBED N#Cc1ccc(S(=O)(=O)NC[C@H](O)C(=O)O)c(Cl)c1 126079474 WVMSTOWITSRIHF-QMMMGPOBSA-N 304.711 -0.065 30 20 DBED C=CCCOCCNS(=O)(=O)c1cc(C(N)=O)n(C)c1 163426860 NOODEFLEHMQHQW-UHFFFAOYSA-N 301.368 -0.005 30 20 DBED N#Cc1ccc(S(=O)(=O)NC[C@H]2CN3CCN2CC3)cc1 179059400 BALZZIQYBUHWEJ-ZDUSSCGKSA-N 306.391 -0.164 30 20 DBED Cn1c(N2CCC[C@@H]2C(=O)NC2CC2)c(C#N)c(=O)n(C)c1=O 264945778 VGGANGHKWOVUKQ-LLVKDONJSA-N 317.349 -0.797 30 20 DBED C#CCCN1CCN(C(=O)[C@H](NC(=O)C2CC2)[C@H](C)O)CC1 272449484 NHEMWOXENBEVCG-GXTWGEPZSA-N 307.394 -0.571 30 20 DBED C#C[C@H](C)NC(=O)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C 275908671 GHXQRNMDGICKDD-VIFPVBQESA-N 300.318 -0.047 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(CC)C[C@H](C)C#N)C1=O 298794113 KOKJVNUHEOVGEH-SNVBAGLBSA-N 306.322 -0.029 30 20 DBED CS(=O)(=O)N1CCC[C@@H]1C/N=C(/O)N1CCO[C@@H](C#N)C1 328732959 JHHOECGLIVYDHQ-MNOVXSKESA-N 316.383 -0.451 30 20 DBED CN1CCC[C@@H](/N=C(/O)CN2CCS(=O)(=O)CC2)C1=O 330037574 DKFGCXGFVNXEAU-SNVBAGLBSA-N 303.384 -0.706 30 20 DBED CC[C@H](O)CN1CCN(S(=O)(=O)N(C)CCC#N)CC1 330648072 FZSWCWIQTXSQJG-LBPRGKRZSA-N 304.416 -0.535 30 20 DBED C[C@H](N/C(O)=N/[C@H](C)CCN1CCN(C)CC1)C(=O)N(C)C 331103509 FLCTZMMUTWYRPX-OLZOCXBDSA-N 313.446 -0.007 30 20 DBED CC(C)N1CCC[C@@H](NS(=O)(=O)N2CCO[C@@H](C#N)C2)C1 336956016 ZACNDLZWGQGRIV-OLZOCXBDSA-N 316.427 -0.082 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCO[C@H](C(=O)OC)C1 337094800 PIGIALDFPBWDTQ-MNOVXSKESA-N 319.383 -0.413 30 20 DBED COc1ccc(CNS(=O)(=O)N2CCO[C@@H](C#N)C2)nc1 337152035 KKRSJKOEBMNUSD-LBPRGKRZSA-N 312.351 -0.351 30 20 DBED COCCN1CC[C@@H](NS(=O)(=O)N(C)C[C@H](C)C#N)C1 337200403 ZOYMMFQXTNRAEG-VXGBXAGGSA-N 304.416 -0.367 30 20 DBED N#CCNC(=O)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F 352513198 VUNDFYNSDXOJRR-UHFFFAOYSA-N 316.270 -0.348 30 20 DBED CC(C)n1cc(C#N)c(NC(=O)C(=O)NC[C@H]2CCC[C@@H]2O)n1 359221170 IGBGUWZLVPWRSB-PWSUYJOCSA-N 319.365 0.551 30 20 DBED CC(C)(C#N)CNC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 359643983 DHHFHNWDOPCTKP-ZDUSSCGKSA-N 322.409 -0.167 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@](O)(C3CC3)C2)C1=O 373262517 XRGYFYBHEVCYLN-OAHLLOKOSA-N 321.333 -0.663 30 20 DBED C#CCN1CCN(C(=O)CN2CCC(C3OCCO3)CC2)CC1 490780825 RVUMWSAJJCCLOD-UHFFFAOYSA-N 321.421 -0.151 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@H](C)CCCOC)CC1 491095989 OIEPLTXVPDKZJO-CQSZACIVSA-N 309.410 -0.057 30 20 DBED COc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](C)CC(N)=O 493604231 KTQZCKTZMSZGSF-QMMMGPOBSA-N 304.306 -0.115 30 20 DBED CCC[C@H](C#N)NC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 525197607 BNDYVTWRTKELCH-AIPRNEOBSA-N 305.334 -0.043 30 20 DBED C[C@H](CNC(=O)CNC(=O)c1ccc(C#N)cc1)S(C)(=O)=O 533134348 RRBJHZPSQLYYKK-SNVBAGLBSA-N 323.374 -0.163 30 20 DBED CCO[C@H]1COCC[C@@H]1NC(=O)NCCn1cnc(C#N)n1 553747455 MCMOAPMZOGWQEO-QWRGUYRKSA-N 308.342 -0.357 30 20 DBED N#CCNC(=O)CNC[C@@H](O)COc1ccccc1[N+](=O)[O-] 563012365 UUAJIJXCAGSAER-SNVBAGLBSA-N 308.294 -0.436 30 20 DBED C[C@H](O)[C@H](NS(=O)(=O)Cc1ccc(F)cc1C#N)C(=O)O 568001104 MRDVLSPGDUSCOW-CPCISQLKSA-N 316.310 -0.049 30 20 DBED CC[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1cccc(C#N)n1 569240011 GPVPRCBVWCYORW-JTQLQIEISA-N 301.306 -0.371 30 20 DBED CN(C)S(=O)(=O)CCN1CCN(c2cnccc2C#N)CC1 579066624 VVILAJLZMGKWAE-UHFFFAOYSA-N 323.422 -0.033 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)NCC[C@]1(O)CCCOC1 593661688 URMSABZQPHCFDC-NWDGAFQWSA-N 305.400 -0.014 30 20 DBED COCCN(CCC#N)S(=O)(=O)N(C)Cc1cn(C)nn1 594856165 CVVCWFMQPRHTPS-UHFFFAOYSA-N 316.387 -0.646 30 20 DBED C=C[C@@](C)(O)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)OC 597470206 MVAVQGPRICQZCK-IINYFYTJSA-N 300.355 -0.257 30 20 DBED CC(C)(CC#N)CS(=O)(=O)N1CC(NS(C)(=O)=O)C1 599423109 SXOVMOLTTLWKPA-UHFFFAOYSA-N 309.413 -0.511 30 20 DBED C[C@@H](C#N)CNC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 609523650 GQYXXBSDLFEIOX-VIFPVBQESA-N 318.337 -0.900 30 20 DBED CCS(=O)(=O)NCCS(=O)(=O)N1CCC[C@](C)(C#N)C1 612154658 BUGUJYNOLXINEI-LLVKDONJSA-N 323.440 -0.119 30 20 DBED N#CCN1CCC(NC(=O)NCCN2CCCOCC2)CC1 615062600 OKBHVOMEXKLOBJ-UHFFFAOYSA-N 309.414 -0.004 30 20 DBED CC#CC[C@H](CO)NC(=O)Nc1ccn(CC(=O)N(C)C)n1 646254200 YHMJLCJGDAWRJK-LLVKDONJSA-N 307.354 -0.133 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@@H](CC)OC[C@H]2C)C1=O 650480708 HSXAVCBTYRRSKQ-GHMZBOCLSA-N 323.349 -0.011 30 20 DBED CC(=NNC(=S)NCC(N)=O)c1ccc2c(c1)NC(=O)CO2 731928390 OQGYWGLYAXIEBL-UHFFFAOYSA-N 321.362 -0.309 30 20 DBED C=C1CCN(c2c(-c3nn[nH]n3)c(=O)n(C)c(=O)n2C)CC1 735403415 VSIJWXICNAOFEO-UHFFFAOYSA-N 303.326 -0.580 30 20 DBED N#Cc1ccc([C@H](C(=O)O)N2CCN(S(N)(=O)=O)CC2)cc1 739104421 GBXBFEAOEKSIFK-GFCCVEGCSA-N 324.362 -0.495 30 20 DBED C=CCN(CC=C)C(=O)COC(=O)[C@H](C)NS(C)(=O)=O 758476781 KSQYTUBDEBKKEZ-JTQLQIEISA-N 304.368 -0.332 30 20 DBED O=C(NCC#CCO)[C@@H](O)[C@@H](O)c1nc2ccccc2s1 773549571 CZNKIIKTCGJAMF-NWDGAFQWSA-N 306.343 -0.198 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@H](C)C[S@@](C)=O)[C@@H]1CCCO1 809223811 ULTGZSWMAJJHAS-CFZCINTLSA-N 300.380 -0.833 30 20 DBED N#Cc1ccc(CNC(=O)c2ccnc(S(N)(=O)=O)c2)nc1 813707620 BFIRAFHUOBDOHR-UHFFFAOYSA-N 317.330 -0.074 30 20 DBED NS(=O)(=O)c1cc(C=Nn2c(O)nnc2O)ccc1F 814232169 WXAWUDDXFJOCIN-UHFFFAOYSA-N 301.259 -0.642 30 20 DBED CCN(C[C@@H](C)C#N)C(=O)COC(=O)CCn1ncn(C)c1=O 815269033 YCCVORLYMGRMFD-NSHDSACASA-N 323.353 -0.477 30 20 DBED O=C(CSc1nnnn1C1CC1)N[C@@H]1CCCN(O)C1=O 820476039 GHIVIBXOSJANKP-MRVPVSSYSA-N 312.355 -0.404 30 20 DBED CN(CCC(=O)O)S(=O)(=O)NCC1CCN(CC#N)CC1 830747378 GXHCSKMKZDHYMX-UHFFFAOYSA-N 318.399 -0.537 30 20 DBED COc1ccc(C(=O)N[C@H]2CNC[C@@H]2C#N)cc1-n1cnnn1 834499819 NEABQAFSDRJHFV-QWRGUYRKSA-N 313.321 -0.488 30 20 DBED CN(C)S(=O)(=O)c1c[nH]c(C(=O)N[C@@H]2CNC[C@@H]2C#N)c1 834521335 GUXUFWRETHYRGN-GZMMTYOYSA-N 311.367 -0.894 30 20 DBED CC(C)(C)n1nnc(CC(=O)NS(=O)(=O)CCC#N)n1 851015942 KIGAERRRDCZBMW-UHFFFAOYSA-N 300.344 -0.670 30 20 DBED C#CCN(C)CCCNS(=O)(=O)c1cc(C(=O)OC)no1 859172906 RYUJHHPKSYGXMD-UHFFFAOYSA-N 315.351 -0.305 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)c2cnc(C)n2C)CC1 900585530 SQOUWACZFPLATM-UHFFFAOYSA-N 317.393 -0.374 30 20 DBED C#CCN1CCC[C@H](NC(=O)CN2CCCCS2(=O)=O)C1 923597830 ZVLVWVOILKSKLO-ZDUSSCGKSA-N 313.423 -0.374 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2CCN(C(=O)Cn3cncn3)C2)c1 936148011 JEQYUIQKYUVAOE-CQSZACIVSA-N 324.344 -0.315 30 20 DBED Cc1c(C(=O)NC[C@H]2CN(C(=O)[C@H](C)C#N)CCO2)nnn1C 944531691 XHUZVKWNJXBUGJ-KOLCDFICSA-N 320.353 -0.760 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@H](CNC(=O)c2cncnc2O)C1 944640796 LJAYRBYFGHRSPO-NXEZZACHSA-N 319.321 -0.701 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CNC(=O)[C@@H]2COCCO2)CC1 949387309 KCPXAWBDNVGGJG-YPMHNXCESA-N 309.366 -0.084 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2CCN2C(=O)c2cnn[nH]2)nn1 950057514 WPKWBEYDWAMDOP-VIFPVBQESA-N 316.325 -0.773 30 20 DBED Cn1nncc1C(=O)N[C@H]1CCCN(C(=O)C#CC2CC2)C1 950758324 HSDNPXTVXZTZAM-LBPRGKRZSA-N 301.350 -0.051 30 20 DBED C[C@@H](C#N)C(=O)N1CC(N(C)C(=O)[C@@H]2CCCCN2C(N)=O)C1 955393854 JYLQJNOTIBXVQV-JQWIXIFHSA-N 321.381 -0.252 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCN(C(=O)C(N)=O)[C@H](C)C2)nn1 955806739 XDNDHBNYQJIJSV-ZJUUUORDSA-N 320.353 -0.941 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H]1CNC(=O)c1cc(=O)n(C)o1 956189256 SWTUDFMTSIUPIW-ZJUUUORDSA-N 306.322 -0.141 30 20 DBED C=CCCN1CC(N(CC)C(=O)[C@@H]2CCS(=O)(=O)N2)C1 957404189 IXOHMUVTPWSPMH-LBPRGKRZSA-N 301.412 -0.213 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](NC(=O)c2cnnc(O)c2)[C@H](C)C1 958376331 LKKRINODVFPZCL-FXPVBKGRSA-N 303.322 -0.081 30 20 DBED C=C(C)CN1C[C@@H](O)[C@@H](CNC(=O)c2cccc(=O)n2C)C1 958394666 HYIIDURTBHIVLF-GXTWGEPZSA-N 305.378 -0.016 30 20 DBED Cc1ncc(Cl)c(C(=O)NC[C@@H]2CN(CC#N)C[C@@H]2O)n1 958454463 XAFYGKUDNRHYMU-KOLCDFICSA-N 309.757 -0.016 30 20 DBED C=CCCn1cc(C(=O)NC[C@@H]2CN(CC#N)C[C@H]2O)nn1 958477024 SWFRLBUPQZOWEW-DGCLKSJQSA-N 304.354 -0.600 30 20 DBED CN(C(=O)C[C@H]1CCCO1)[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 958636511 DHAPXJKFYKMDFN-ILXRZTDVSA-N 320.389 -0.001 30 20 DBED Cn1cc(-c2n[nH]cc2C(=O)NC2[C@@H]3CN(CC#N)C[C@@H]23)cn1 962270695 KKMGZZRAGOEZML-VXGBXAGGSA-N 311.349 -0.006 30 20 DBED O=C(NC[C@H]1COCCN1C(=O)C#CC1CC1)c1ncc[nH]1 964174267 IUJLMSLTVMQARM-LBPRGKRZSA-N 302.334 -0.220 30 20 DBED CCN(C(=O)C1CS(=O)(=O)C1)C1CN(C(=O)C#CC2CC2)C1 967991651 QTSNZEBRUZHAQP-UHFFFAOYSA-N 324.402 -0.496 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]2CCN(C(=O)Cn3ncnn3)[C@H]2C1 975974707 ZCIPXKWZDWJXQA-WOPDTQHZSA-N 317.353 -0.718 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]1CN(C)C(=O)c1cnn(C)c1N 977619946 KPFOTIXMEZNACD-VHSXEESVSA-N 304.354 -0.165 30 20 DBED COCCn1nccc1C(=O)NCC1[C@@H]2CN(CC#N)C[C@@H]12 978342855 GHHJNZJYARUFMG-STQMWFEESA-N 303.366 -0.039 30 20 DBED C#CCN1C[C@H]2[C@H](CNC(=O)c3ccc(C(=O)NC)nc3)[C@H]2C1 978984585 IIYOJHOIXLNFCC-ZSOGYDGISA-N 312.373 -0.018 30 20 DBED C=C(C)CN1C[C@@H]2C(CNC(=O)[C@@H]3CCS(=O)(=O)N3)[C@H]2C1 979072505 KKGDXTWGMBOGEY-UPJWGTAASA-N 313.423 -0.452 30 20 DBED C#CCN[C@H]1CCC[C@H](NC(=O)c2cn(CC(N)=O)nn2)C1 981538940 SDIQKLJKJRGZQR-QWRGUYRKSA-N 304.354 -0.973 30 20 DBED C#CCN[C@H]1C[C@H](C)N(C(=O)Cn2nc3ccccn3c2=O)C1 989258223 GSHQXKSYFVYLNH-STQMWFEESA-N 313.361 -0.292 30 20 DBED N#Cc1ccc(C(=O)NC2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)[nH]1 990887479 LWNZMBSKOGJCAC-MWLCHTKSSA-N 303.278 -0.508 30 20 DBED N#Cc1cc(C(=O)NC2CN(C(=O)CO[C@@H]3CCOC3)C2)c[nH]1 990936444 VNWYKVPVZPKMJG-CYBMUJFWSA-N 318.333 -0.368 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN(C(=O)C[C@@H]2CCOC2)C1 994753256 XMCXRMWAAWCPFF-ZFWWWQNUSA-N 319.405 -0.162 30 20 DBED C=CC(C)(C)C(=O)N1CC(NC(=O)Cn2ncn(C)c2=O)C1 994970722 SWBRPQHWBFYRKN-UHFFFAOYSA-N 307.354 -0.879 30 20 DBED C=C(Cl)CN[C@H]1CCCN(C(=O)CN2CCNC(=O)C2)C1 999887271 XUKPEIFCHYOILK-LBPRGKRZSA-N 314.817 -0.249 30 20 DBED C#CCN1CC[C@@H](n2cc(CNC(=O)[C@H]3CCCN3C)nn2)C1 999963490 QZKMDHVBKMOOBT-HUUCEWRRSA-N 316.409 -0.132 30 20 DBED CCC(=O)N1CC[C@@H](C(=O)NCC2CN(C(=O)[C@@H](C)C#N)C2)C1 1004365854 JONFKIPKBVCUPM-WCQYABFASA-N 320.393 -0.021 30 20 DBED O=C(C#CC1CC1)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 1011110710 MATZBEGNWZLYPE-UHFFFAOYSA-N 317.345 -0.780 30 20 DBED C#CCCN1CC[C@@H](NC(=O)[C@@H]2CCc3nnc(O)n3C2)C1 1014995597 KQEKEUPPPAGWBB-VXGBXAGGSA-N 303.366 -0.240 30 20 DBED C=CCN1CC[C@H](N2CC[C@H](NC(=O)Cn3ccnc3)C2)C1=O 1016396916 GNQVRKMXNHCRPQ-KBPBESRZSA-N 317.393 -0.140 30 20 DBED C=CCN1CCC2(CC1)C[C@@H]2NC(=O)[C@@H]1CCS(=O)(=O)N1 1016978366 HODHEBWZAFSNLM-RYUDHWBXSA-N 313.423 -0.165 30 20 DBED C=CCN1CC[C@H](N[C@H]2CCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C2)C1=O 1019263450 HQPDPGDDNMXOAM-SBJFKYEJSA-N 319.405 -0.144 30 20 DBED C#CCN1CC[C@H]2[C@@H](CCCN2C(=O)CN2CCNC(=O)C2)C1 1021651321 CTQVCTDGEQIDJR-GJZGRUSLSA-N 318.421 -0.636 30 20 DBED Cc1ccc(CC(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2O)o1 1023440069 HZJUWYXJIPPGEM-OASPWFOLSA-N 305.334 -0.022 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1[C@@H]2CN([C@H](CC)C(N)=O)C[C@@H]21 1025814047 ISDCFNSKSCNZBL-SEBNEYGDSA-N 318.421 -0.606 30 20 DBED N#CCN1CCC[C@@H]1CNC(=O)[C@H]1CN2CC3CC2(CO1)C3 1028037040 MEOPWLZXPHXOKW-MYMJJRTCSA-N 304.394 -0.046 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)Cn2ccc(=O)n(C)c2=O)C1 1033127650 XEEFSNOYTHXHEA-LBPRGKRZSA-N 306.366 -0.734 30 20 DBED CC#CCN1CC[C@@H](N(CC)C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 1033971648 JSSRXXPRXAXPJS-NEPJUHHUSA-N 306.366 -0.469 30 20 DBED N#CCN1CCCC[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 1034530825 FNFRIEJEFQRVLZ-MNOVXSKESA-N 300.384 -0.828 30 20 DBED N#Cc1cc(C(=O)N[C@H]2[C@H]3C[C@H]2N(CC(=O)N2CCC2)C3)c[nH]1 1037369956 ARYYDGPGBMAYEU-LNSITVRQSA-N 313.361 -0.079 30 20 DBED C[C@H]1[C@@H](N=c2cc[nH]cc2C#N)CCN1C(=O)[C@H]1CCNC1=O 1040213704 VNFNOQCTLPXIKP-DRZSPHRISA-N 313.361 -0.087 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC(O)(CNC(=O)[C@@H]3CCCO3)C2)c1 1041349628 JBWPNUYFLYIUTA-LBPRGKRZSA-N 318.333 -0.632 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)c2[nH]c(O)nc2C)C1 1041963522 RKQCFIGFBSKOCF-UHFFFAOYSA-N 308.338 -0.307 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)[C@@H]2[C@H]3CCC[C@H]32)C1 1042039569 CCCILIUUPABCFO-IMRBUKKESA-N 308.378 -0.075 30 20 DBED C=CCN1CC[C@@H]2CCN(C(=O)CN3CCNC(=O)C3)C[C@H]21 1042182985 HPRVTAYIBBGWIE-ZIAGYGMSSA-N 306.410 -0.473 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)[C@@H](C)n2cccc2)C1 1042585969 XSKPIIFWSFBGQC-VXGBXAGGSA-N 304.350 -0.102 30 20 DBED CO[C@H](C)CC(=O)N1CC(O)(CNC(=O)c2ccc(C#N)[nH]2)C1 1042608315 BOWJMGHWXYJMTF-SNVBAGLBSA-N 320.349 -0.386 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(O)CN(C(=O)c2nc(C)c[nH]2)C1 1042812617 QOFQSWKXCVDDMR-CQSZACIVSA-N 322.365 -0.652 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)[C@@H]2[C@H]3CCC[C@H]32)C1 1043039483 GQBDFQYWGJZKAY-IGQOVBAYSA-N 320.389 -0.240 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)c2cccc(O)n2)C1 1045540138 DCKLWALACFKBFX-VIFPVBQESA-N 304.306 -0.750 30 20 DBED C=CCN1CCC2(CC1)CO[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)C2 1045677939 GCBODOQBODDFHM-OLZOCXBDSA-N 322.409 -0.159 30 20 DBED C=CCN1CC[C@H](N2CCN(C(=O)[C@H]3CN(C)C(=O)N3)CC2)C1 1046052164 UFTWBPWDUXCFIM-UONOGXRCSA-N 321.425 -0.586 30 20 DBED Cc1nn[nH]c1C(=O)NC[C@H]1C[C@@H](N=c2cc[nH]c(C#N)n2)C1 1046547145 YDDPODRTKLPFLT-AOOOYVTPSA-N 312.337 -0.183 30 20 DBED COc1c(O)nc(O)nc1C(=O)N[C@]1(C)CCN(CC#N)C1 1046772188 RKIXQBMGJDBLFC-CYBMUJFWSA-N 307.310 -0.386 30 20 DBED C=CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3nncn3C2)C1 1047639152 NSOYYJXUFWERAC-IHRRRGAJSA-N 319.409 -0.080 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cccnn2)C1 1049302355 JMSIJSJODZRSDQ-STQMWFEESA-N 320.349 -0.677 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)c2ccn(C)n2)C[C@@H]1O 1049401284 DAVHCEAIQQWSAS-USWWRNFRSA-N 305.338 -0.777 30 20 DBED N#Cc1ccc(N2CC[C@@H]3CN(C(=O)C(N)=O)C[C@@H]3C2)nn1 1049623605 MILMGLOUNPMLSV-ZJUUUORDSA-N 300.322 -0.882 30 20 DBED N#Cc1cc(C(=O)N2CC3(CCN(CC(N)=O)CC3)C2)c[nH]1 1050494283 OGLGFJDMSKYBJC-UHFFFAOYSA-N 301.350 -0.090 30 20 DBED CN1CC(=O)N(CC(=O)N2CC3(CCN(CC#N)CC3)C2)C1=O 1050748206 KWUKSVZEOOAEAM-UHFFFAOYSA-N 319.365 -0.672 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)c1ccnc2nc(C)nn12 1051210545 XMAVNXJWWIFSLN-LBPRGKRZSA-N 314.349 -0.503 30 20 DBED C=CCN1CCN([C@@H]2CCN(C(=O)[C@@H]3CC(=O)N(C)C3)C2)CC1 1052035433 IWNWYCGRWMGJFA-HUUCEWRRSA-N 320.437 -0.131 30 20 DBED C=CCN1CCN([C@@H]2CCN(C(=O)[C@H]3CCC(=O)NC3)C2)CC1 1052048245 OSMSRPRHSAYWRV-LSDHHAIUSA-N 320.437 -0.083 30 20 DBED C[C@@H](C#N)C(=O)N1[C@H]2CC[C@@H]1C[C@H](CNC(=O)CC(N)=O)C2 1053668437 IUXIBWMBJSMNMX-YFKTTZPYSA-N 306.366 -0.093 30 20 DBED Cc1cc(C#N)nc(N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)C(N)=O)n1 1055181425 PAKTZBHRRCFCIF-VWYCJHECSA-N 300.322 -0.632 30 20 DBED N#Cc1cnc(N2CCN(C(=O)[C@H]3CCCNC3=O)CC2)cn1 1055928241 NRQSLPCOMMDUEN-LBPRGKRZSA-N 314.349 -0.477 30 20 DBED N#Cc1ccc(N2C[C@H]3C(NC(=O)[C@H]4CCNC4=O)[C@@H]3C2)cn1 1056356917 XMLCCDKTAVFLGP-YNEHKIRRSA-N 311.345 -0.360 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)c1cccn1C 1056987056 QLZYSCZYPYREEE-UHFFFAOYSA-N 309.366 -0.222 30 20 DBED CC(C)[C@@H](O)C(=O)NCCN(CCO)C(=O)c1c[nH]c(C#N)c1 1057391782 MMIBMKFYXYIMDH-CYBMUJFWSA-N 322.365 -0.546 30 20 DBED C#CCO[C@H](C)C(=O)N(CCO)CCNC(=O)/C=C/C1CC1 1057583707 XYMVUBUMOACNCJ-KTRBRXNASA-N 308.378 -0.072 30 20 DBED Cn1ncc(C(=O)N2CCC[C@H](N=c3cc[nH]c(C#N)n3)C2)n1 1057663725 IJIYIJAFFFDXJE-JTQLQIEISA-N 312.337 -0.385 30 20 DBED N#Cc1cncc(N[C@@H]2CCCN(C(=O)Cn3ncnn3)C2)n1 1057697921 MLUPAEFUKZOYOE-SNVBAGLBSA-N 313.325 -0.562 30 20 DBED N#Cc1cnc(N2CC[C@@H](NC(=O)c3nccnc3N)C2)cn1 1058315683 JWUSQFRCNSLXIM-SECBINFHSA-N 310.321 -0.271 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@H](CCNC(=O)c2nc[nH]n2)C1 1059646742 WZDHFPNGDOUABJ-RYUDHWBXSA-N 319.365 -0.189 30 20 DBED N#Cc1ccc(N2CCC[C@H]2CNC(=O)[C@H]2COC(=O)N2)nn1 1061353235 FJVUWZOFMBNQLC-WDEREUQCSA-N 316.321 -0.458 30 20 DBED COC[C@H](OC)C(=O)N1CCOC[C@H]1CNC(=O)C#CC1CC1 1061572278 RWQNRXQWKKASBG-KGLIPLIRSA-N 324.377 -0.595 30 20 DBED Cn1nncc1C(=O)N1C[C@@H]2CC[C@H](C1)N2c1nccnc1C#N 1061958589 FESNOSDKFLUFLE-PHIMTYICSA-N 324.348 -0.030 30 20 DBED C#CCOCCC(=O)NC[C@H]1CCCCN1C(=O)CNC(N)=O 1061997480 TZBVWVSDCVFKSA-GFCCVEGCSA-N 324.381 -0.808 30 20 DBED CN(C(=O)Cn1ncnn1)[C@@H]1CCN(c2ccnc(C#N)n2)C1 1062980921 VFDJHKVDFVMQBA-SNVBAGLBSA-N 313.325 -0.928 30 20 DBED C#CCOCCC(=O)NC1(CNC(=O)[C@H]2CCNC2=O)CCC1 1063910453 VRVFGMAQCTUQRJ-LBPRGKRZSA-N 321.377 -0.683 30 20 DBED N#Cc1nccc(N2CC[C@@H]3CCN(C(=O)C(N)=O)C[C@H]32)n1 1064699384 UFORZZVWHRLEBS-VHSXEESVSA-N 300.322 -0.739 30 20 DBED C=C[C@@H](CC)CC(=O)NC[C@@H]1CN(C(=O)CC(N)=O)CCO1 1065001587 UKWMNANYYXJDNC-NWDGAFQWSA-N 311.382 -0.192 30 20 DBED Cc1nnc(CC(=O)N2CCO[C@@H](CNC(=O)[C@H](C)C#N)C2)o1 1065113515 JUKALFOEIJXZCL-KOLCDFICSA-N 321.337 -0.576 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(C(=O)C#CC2CC2)CCO1 1065136912 IWIHEAQUOJVXRT-OAHLLOKOSA-N 318.373 -0.217 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)Cn2ccnc2)CCO1 1065305793 UJKSFOZCVCZVNM-AWEZNQCLSA-N 318.377 -0.114 30 20 DBED Cc1cc(CC(=O)NC[C@H]2CN(C(=O)[C@H](C)C#N)CCO2)n[nH]1 1065557847 WAXIYZUPCGOLTE-MFKMUULPSA-N 319.365 -0.236 30 20 DBED C[C@@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1Nc1ccc(C#N)nn1 1067149763 WYGOWPRCOVNDIL-KOLCDFICSA-N 313.325 -0.706 30 20 DBED N#Cc1cccnc1N1C[C@H](CNC(=O)c2ccncn2)[C@@H](O)C1 1067675857 IQHIXTMHAYKZPT-JSGCOSHPSA-N 324.344 -0.030 30 20 DBED Cn1ncc(C(=O)N2C[C@H]3CC[C@H]2CN3c2nccnc2C#N)n1 1068046871 OOJLNFRACBCRJR-MNOVXSKESA-N 324.348 -0.030 30 20 DBED C[C@@H](Nc1nccnc1C#N)[C@@H]1CN(C(=O)CC(N)=O)CCO1 1068227259 ILCREFGORYRQLY-KOLCDFICSA-N 318.337 -0.749 30 20 DBED C=CCCC(=O)N1CC2(C1)CN(C(=O)[C@@H]1CCNC1=O)CCO2 1068421501 ULCJFLXLAGRFBJ-GFCCVEGCSA-N 321.377 -0.472 30 20 DBED C=CCOCC(=O)N[C@@H]1COC2(C1)CN(C(=O)CCOC)C2 1068764340 OKPKSIATTJWBEW-LBPRGKRZSA-N 312.366 -0.288 30 20 DBED C[C@H](C#N)C(=O)N1CC2(C[C@H](NC(=O)CCCC(N)=O)CO2)C1 1068915367 JCZDSBMSOAYXRA-MNOVXSKESA-N 322.365 -0.712 30 20 DBED Cc1nn(C)cc1C(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1 1069902588 FAVKUTMSAMSXNQ-OLZOCXBDSA-N 314.353 -0.501 30 20 DBED C=CCOCC(=O)N[C@@H]1CCCN(C(=O)[C@H]2COC(=O)N2)C1 1070680517 QXUABESBNYTEIT-GHMZBOCLSA-N 311.338 -0.595 30 20 DBED C=C(C)CN1C[C@H]2C[C@@H]3CN(C(=O)[C@@H]4CNC(=O)N4)C[C@@]3(C1)O2 1070844557 GSFGECMHBWWCFL-NFFDBFGFSA-N 320.393 -0.454 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H](C)[C@@H](NC(=O)C#CC2CC2)C1 1071936420 PBOKSIQAFCYGGM-JSGCOSHPSA-N 315.373 -0.498 30 20 DBED CNC(=O)NCCC(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C 1072050217 ZIOBUXDPUITQDV-DGCLKSJQSA-N 320.393 -0.318 30 20 DBED CC1(NC(=O)CC(N)=O)CCN(C(=O)c2ccc(C#N)[nH]2)CC1 1072951958 BWOVSIZODPRWTN-UHFFFAOYSA-N 317.349 -0.127 30 20 DBED C=C[C@H](CC)CC(=O)N1CCN(C2CN(C(=O)C(N)=O)C2)CC1 1073592240 DHHDEGCJZYBUAM-GFCCVEGCSA-N 322.409 -0.571 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H]1CN(CCO)CCCO1 1073640078 UAIZRBJIRVGVOR-GJZGRUSLSA-N 309.410 -0.717 30 20 DBED CC#CCN1CCO[C@@H]2CCN(C(=O)C(C)(C)C(N)=O)C[C@H]21 1074270688 IPTXWGDJFPZRPR-CHWSQXEVSA-N 307.394 -0.177 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)c2cnc3c(c2)ncn3C)C1 1077503167 WUGHXUQMDZSDRG-ZIAGYGMSSA-N 313.361 -0.234 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CN(C(C)C)CCO2)C1 1077566510 DMEBWYKQJKEIRW-KFWWJZLASA-N 311.426 -0.167 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN2C(=O)CCC)C1 1078222432 AUTCTACNBMBXPL-QLFBSQMISA-N 321.421 -0.038 30 20 DBED CCN(C(=O)[C@]1(C)CCC(=O)N1)C1CN(C(=O)[C@H](C)C#N)C1 1080487123 LZKZTVBSSSMTFG-BMIGLBTASA-N 306.366 -0.126 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)CCc2cnn[nH]2)C[C@H]1O 1081338808 WLRNNGDWPMROAM-DGCLKSJQSA-N 321.381 -0.361 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2cc[nH]n2)C[C@H]1O 1081343555 DQAHUPVRNRCSTF-ZYHUDNBSSA-N 308.338 -0.839 30 20 DBED CN(C)CCCC(=O)N1C[C@H](O)[C@H](CNC(=O)C#CC2CC2)C1 1081470811 GGDQDEWKFJARTC-CABCVRRESA-N 321.421 -0.323 30 20 DBED C=CC(C)(C)CC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2cnn[nH]2)C1 1081589911 JVIMPJBFVIHVIZ-ZYHUDNBSSA-N 321.381 -0.044 30 20 DBED C=C1CC(C)(C(=O)NC[C@@H]2CN(C(=O)CC(=O)NC)C[C@H]2O)C1 1081753576 XEQSWYCDNQNCDH-VXGBXAGGSA-N 323.393 -0.586 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CCCCN1C(=O)c1nnn(C)n1 1082225494 SRXHRQIKPAIHCD-LBPRGKRZSA-N 318.381 -0.020 30 20 DBED C#CCCN1C[C@@H](NC(=O)c2cc(C(N)=O)c[nH]2)[C@H](OC)C1 1082277041 OQQCTEYJWDRVCF-CHWSQXEVSA-N 304.350 -0.434 30 20 DBED C[C@H](C(N)=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1ccc(C#N)[nH]1 1083054298 CMCJZOFDOCAZQF-JIMOISOXSA-N 317.349 -0.715 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cc(OC)n(C)n1 1083138174 KBRSIENILHGEIC-QWHCGFSZSA-N 304.350 -0.413 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)C(=O)N1CCC(C)CC1 1083216205 MTGMLFNQIZVORV-LSDHHAIUSA-N 319.405 -0.210 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)[C@]2(C)CCC(=O)NC2)C1 1083715851 DJVLJDUEVOOMSZ-UHIISALHSA-N 315.801 -0.184 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)C2(N3CCOCC3)CCCC2)C1 1083828199 GGPNOKMUFWWXOQ-CABCVRRESA-N 321.421 -0.574 30 20 DBED C#CCCN1CC[C@@H]2CN(C(=O)CN3CC(=O)NC3=O)[C@@H]2C1 1084726864 SRNBNBFCSUAYEB-VXGBXAGGSA-N 304.350 -0.906 30 20 DBED Cc1ccc(=O)n(CC(=O)N2C[C@H]3CCN(CC#N)C[C@H]32)n1 1084788493 IFCRWHIVSHUGGV-CHWSQXEVSA-N 301.350 -0.392 30 20 DBED CCN(c1cnc(C#N)cn1)[C@H](C)CNC(=O)C1(C(N)=O)CC1 1089740605 ZFKLDEOQTZPUQH-SNVBAGLBSA-N 316.365 -0.055 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2cnc3c(c2)ncn3C)[C@@H](O)C1 1090474635 DVAYIBKGXISUGP-OCCSQVGLSA-N 313.361 -0.234 30 20 DBED Cc1nnc(O)c(C(=O)N[C@@H]2CCN(CC#N)C[C@H]2O)c1C 1090482156 KWABGGZCRBANLA-GHMZBOCLSA-N 305.338 -0.512 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2cnc3cccnn23)[C@H](O)C1 1090631827 WPKLWLDOHIFSGY-ZYHUDNBSSA-N 300.322 -0.582 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CN(c2ccc3nnnn3n2)C[C@H]1C 1090685529 DJOHXZVQAOIUOY-IVZWLZJFSA-N 300.326 -0.380 30 20 DBED C=CCN1CC[C@@H](NC(=O)c2nc3nccc(C)n3n2)[C@@H](O)C1 1090773374 FJCAIXLJHFEKOK-NEPJUHHUSA-N 316.365 -0.216 30 20 DBED CSCC(=O)N[C@@H]1CN(c2nc(C)cc(C#N)n2)C[C@@H]1O 1091066734 AYQVYOIDMFUXRG-MNOVXSKESA-N 307.379 -0.315 30 20 DBED CCOCC(=O)N[C@@H]1CCN(c2nccnc2C#N)C[C@@H]1O 1092128629 JPDJDVSGAPVKFK-PWSUYJOCSA-N 305.338 -0.559 30 20 DBED CC(=O)N(C)CC(=O)N[C@H]1[C@@H]2CN(c3ncccc3C#N)C[C@@H]21 1093218386 UNNQXYMBTOTSSB-NHAGDIPZSA-N 313.361 -0.018 30 20 DBED COC[C@@H](OC)C(=O)N[C@H]1[C@@H]2CN(c3nccnc3C#N)C[C@@H]21 1093344957 MTSRDWAYTQHCGF-DNIRFERGSA-N 317.349 -0.440 30 20 DBED C#CCN1C[C@@H]2CC[C@H](C1)N2C1CCN(C(=O)C(N)=O)CC1 1093488205 KVKWENNLLLYKCW-OKILXGFUSA-N 304.394 -0.756 30 20 DBED CN1C[C@H](C(=O)NCCNc2cncc(C#N)n2)CCC1=O 1093679950 INWHTFJPPOCPOK-SNVBAGLBSA-N 302.338 -0.255 30 20 DBED Cc1cc(C#N)nc(NCCNC(=O)[C@H]2CC[C@@H]2C(N)=O)n1 1094035421 ZCXGWWRVDFCZCH-QWRGUYRKSA-N 302.338 -0.304 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCNc1ccc2nnnn2n1 1094214872 PUIXBUZZIYFGCE-NSHDSACASA-N 314.353 -0.855 30 20 DBED C[C@]1(C(=O)NCCNc2ccc(C#N)nn2)CCNC(=O)C1 1094233679 SAWZIAKCFDKRJB-AWEZNQCLSA-N 302.338 -0.207 30 20 DBED CN1CCCC[C@H]1C(=O)NCc1cn(C2CN(CC#N)C2)nn1 1094300890 VWOASWRZEPPYKT-AWEZNQCLSA-N 317.397 -0.241 30 20 DBED CC#CCN1CCN(C(=O)[C@H](C)OC)[C@@H]2CS(=O)(=O)C[C@@H]21 1094609693 GRCNQGBVRRYWDC-RWMBFGLXSA-N 314.407 -0.646 30 20 DBED C#CCN1CCN(C(=O)C2=CCOCC2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094625845 BPPQJLSXFVYAHD-UONOGXRCSA-N 324.402 -0.724 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)c3ncoc3C)CC2=O)C1 1094712357 WBLGIGLWCZLQBL-LLVKDONJSA-N 302.334 -0.369 30 20 DBED N#CCN1CC(N2C[C@H](NC(=O)c3cccnn3)CC2=O)C1 1094799270 IHNAVAOYZUEAAH-SNVBAGLBSA-N 300.322 -0.985 30 20 DBED CC(=O)NCC(=O)N1CCC(Nc2ccc(C#N)nn2)CC1 1095212503 RFYCZHKDBNQHPH-UHFFFAOYSA-N 302.338 -0.113 30 20 DBED CN(CCCNC(=O)[C@@H]1CC[C@H]1C(N)=O)c1ccc(C#N)nn1 1095697239 ZYWAYDOQRBROGU-VXGBXAGGSA-N 316.365 -0.198 30 20 DBED CS(=O)(=O)CC(=O)N[C@@H]1CCCN(c2cncc(C#N)n2)C1 1096149654 DICWCZNCVAVXEF-SNVBAGLBSA-N 323.378 -0.522 30 20 DBED N#Cc1ccc(N2CC[C@@H](NC(=O)CCc3cnn[nH]3)C2)nn1 1096488089 DIDAUZYYCLRFLO-GFCCVEGCSA-N 312.337 -0.206 30 20 DBED C[C@@H](C(=O)N[C@H]1CCN(c2ccc(C#N)nn2)C1)S(C)(=O)=O 1096502933 XWGHBRZUALRFSI-ONGXEEELSA-N 323.378 -0.524 30 20 DBED C[C@@H](CC(N)=O)C(=O)N1CC[C@H](Nc2cnc(C#N)cn2)C1 1096973067 HFYCVVOSURZHER-UWVGGRQHSA-N 302.338 -0.127 30 20 DBED C[C@@H](CNC(=O)[C@H]1CN(C)CCO1)Nc1nccnc1C#N 1097768159 HHKDWEATXVPWAE-CMPLNLGQSA-N 304.354 -0.405 30 20 DBED C=CCN1CCC2(CC1)CN(C(=O)Cn1cnnn1)C[C@H](C)O2 1098562664 OLLHISKWCCTWJP-ZDUSSCGKSA-N 320.397 -0.059 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)c2ccco2)[C@@H](O)C1 1099624382 QLEGNCZTMRTISQ-NEPJUHHUSA-N 307.350 -0.253 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)C#CC(C)C)[C@@H](O)C1 1099822067 ZYMPTSFXKGINOY-KGLIPLIRSA-N 307.394 -0.501 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2ccsn2)[C@@H](O)C1 1099887262 BOTYCEXLWWVTOD-AAEUAGOBSA-N 309.391 -0.042 30 20 DBED C#CCN1CC[C@H](NC(=O)CCCCCNC(C)=O)[C@H](O)C1 1100101050 GBGJTNVBAUKNOA-LSDHHAIUSA-N 309.410 -0.133 30 20 DBED CN1C[C@H](C(=O)N(C)CCN=c2cc[nH]c(C#N)n2)CC1=O 1102004707 ZUGBATQJALNARD-SNVBAGLBSA-N 302.338 -0.881 30 20 DBED CC(C)NC(=O)CN(C)CC(=O)NC[C@@H]1CN(CC#N)C[C@H]1C 1102121888 UWILRHFCFUSWEU-ZIAGYGMSSA-N 323.441 -0.350 30 20 DBED CC[C@H](CNC(=O)CNC(=O)NC)N=c1cc(C)[nH]cc1C#N 1103352463 HEGOQBFOQIQSRE-GFCCVEGCSA-N 318.381 -0.081 30 20 DBED C[C@@H](CNC(=O)c1ncn(C)n1)CNc1cnc(C#N)cn1 1103929048 NKMNOJKJIUEPSC-SECBINFHSA-N 300.326 -0.045 30 20 DBED CN(C)CCC(=O)NC[C@H]1CN(c2cnc(C#N)cn2)CCO1 1104345926 AFQDLDWABWNQDF-ZDUSSCGKSA-N 318.381 -0.379 30 20 DBED C#CCNC(=O)CC(=O)N(C)[C@@H](C)CNc1cnc(C#N)cn1 1104530371 NJSRQHWBVQYKDV-NSHDSACASA-N 314.349 -0.253 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](C)N(C)C(=O)CCNC(N)=O)n1 1104564412 ALBFOJAOVTWXKM-SNVBAGLBSA-N 319.369 -0.026 30 20 DBED C#CCOCCC(=O)N(C)[C@H](C)CNc1ccc2nnnn2n1 1104678514 VBEKIPPGPQHCIH-LLVKDONJSA-N 317.353 -0.182 30 20 DBED COCC#CCNCc1cn(C2CN(C(=O)CCOC)C2)nn1 1105130112 FVXISFHIFMBIDT-UHFFFAOYSA-N 321.381 -0.563 30 20 DBED C#CCCNCc1cn(C2CN(C(=O)[C@H]3CCCN3C)C2)nn1 1105191779 FCJPATURYJYMAM-OAHLLOKOSA-N 316.409 -0.132 30 20 DBED CC#CCN[C@@H]1C[C@]2(C[C@H]1O)CN(C(=O)CC(N)=O)[C@@H]2C(C)C 1105610942 ODKNSDOTCIEOFT-KFZJALRRSA-N 321.421 -0.149 30 20 DBED Cc1nc(NC[C@H](O)CNC(=O)[C@H]2COCCO2)ccc1C#N 1105780776 VINZGILZHAUNDU-QWHCGFSZSA-N 320.349 -0.434 30 20 DBED C=CCNC(=O)CNC[C@@H]1CN(C(=O)Cn2cccn2)C[C@H]1C 1105824472 WLGVTCDRJLSJPN-ZIAGYGMSSA-N 319.409 -0.131 30 20 DBED Cc1cc(C#N)nc(NC[C@H](O)CNC(=O)[C@H]2CCN(C)C2)n1 1105852888 BQQPBFPEUYHRBD-WCQYABFASA-N 318.381 -0.503 30 20 DBED Cn1ccc(C(=O)NC[C@H](O)CNc2ncccc2C#N)n1 1105856237 QEYFJAKDHWGVIT-LLVKDONJSA-N 300.322 -0.110 30 20 DBED Cc1cc(C#N)nc(NCC[C@H](C)NC(=O)c2nnn(C)n2)n1 1106523208 HZMLYLQDVLRVHP-QMMMGPOBSA-N 315.341 -0.199 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)[C@H]2OCC[C@H]2C)C[C@H]1C 1106678640 XHNLUTBKFKUQCO-KQTLUZQSSA-N 321.421 -0.155 30 20 DBED N#Cc1cnc(NC/C=C/CNC(=O)[C@H]2COCCO2)cn1 1107043559 FSBRCXYZYVHNBQ-YYRQZUAOSA-N 303.322 -0.152 30 20 DBED CS(=O)(=O)CCC(=O)NC/C=C\CN=c1cc[nH]c(C#N)n1 1107575819 GMEGNERARPSVJL-IHWYPQMZSA-N 323.378 -0.711 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)CNc1cc(OCC)ncn1 1107696109 YVHDLQDEOHLVKM-LLVKDONJSA-N 319.365 -0.069 30 20 DBED C[C@H](CNc1ccc(C#N)cn1)NC(=O)[C@H]1CN(C)C(=O)N1 1108041350 NSTROXXXCAGZLV-MWLCHTKSSA-N 302.338 -0.107 30 20 DBED C#CCCN1CCO[C@@](C)(CNC(=O)CCc2cnn[nH]2)C1 1108224504 NCVBBJIEWCNQDJ-HNNXBMFYSA-N 305.382 -0.032 30 20 DBED C[C@@H](CNc1cnc(C#N)cn1)NC(=O)CN1CCCC1=O 1108247010 ARZUETOMDROODP-JTQLQIEISA-N 302.338 -0.113 30 20 DBED CCNC(=O)CC(=O)N[C@H](C)CN(C)c1cnc(C#N)cn1 1108945987 ZNEIDODWBQUDST-SNVBAGLBSA-N 304.354 -0.185 30 20 DBED N#CCSCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2[C@@H]1CCNC1=O 1108947529 XJNMZXNIAPBYLY-NOOOWODRSA-N 308.407 -0.147 30 20 DBED CN(CCCNc1nccnc1C#N)C(=O)CCn1cnnn1 1109499028 YGCSXKHSWZMUKI-UHFFFAOYSA-N 315.341 -0.315 30 20 DBED CC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H](C)NS(C)(=O)=O 1109764359 FJTSZXQFABMESA-NDBYEHHHSA-N 313.423 -0.331 30 20 DBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cnn(C)n1 1109837179 VUTBHZHVUWENEH-MDZLAQPJSA-N 318.381 -0.548 30 20 DBED N#Cc1nccc(NC2(CNC(=O)[C@@H]3CNC(=O)N3)CC2)n1 1110324179 BLJWCXDDPYFJTG-QMMMGPOBSA-N 301.310 -0.910 30 20 DBED C#CCCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCn1ncn(C)c1=O 1110854446 FCSCRGMBBBXWEI-MCIONIFRSA-N 317.393 -0.283 30 20 DBED C=CCCC(=O)NC[C@]1(O)CCN(c2ccc3nnnn3n2)C1 1111045086 BTNJXDJRDXPLBD-CQSZACIVSA-N 317.353 -0.457 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@]1(O)CCN(c2ccnc(C)n2)C1 1111097819 HAVCAYQHPXZYEJ-BLLLJJGKSA-N 318.377 -0.119 30 20 DBED C[C@H](Nc1nccnc1C#N)[C@H]1CCN(C(=O)CNC(N)=O)C1 1111206140 VPEDHDPKSGDCEC-UWVGGRQHSA-N 317.353 -0.335 30 20 DBED C[C@H](NC(N)=O)C(=O)N(CCO)CCNc1ccc(C#N)nc1 1111469205 LLQUWVKRUONSOP-JTQLQIEISA-N 320.353 -0.757 30 20 DBED N#Cc1ccc(NCCN(CCO)C(=O)Cn2cncn2)cn1 1111473387 NUILVEGTBICVFW-UHFFFAOYSA-N 315.337 -0.522 30 20 DBED Cc1nc[nH]c1C(=O)N(CCO)CCN=c1cc[nH]c(C#N)n1 1111487779 GXHBKGIRCKJFKH-UHFFFAOYSA-N 315.337 -0.652 30 20 DBED N#Cc1c[nH]ccc1=NCCN(CCO)C(=O)c1cccnn1 1111501068 IMSVGZPGBBJSSD-UHFFFAOYSA-N 312.333 -0.288 30 20 DBED C[C@H](CC(N)=O)C(=O)N(CCO)CCNc1ccc(C#N)cn1 1111535764 WSXJBYHEKMQIQI-LLVKDONJSA-N 319.365 -0.302 30 20 DBED C=CCOCC(=O)N[C@]12CCC[C@H]1CN(Cc1nnn(C)n1)C2 1111658940 VSFSIVOCUVNNCK-WFASDCNBSA-N 320.397 -0.117 30 20 DBED CNC(=O)NCC(=O)N(C)CCCN(C)c1ccc(C#N)nn1 1112191524 DZJBZAMQWILLRE-UHFFFAOYSA-N 319.369 -0.438 30 20 DBED CN(C[C@@H]1CCCN1C(=O)CNC(N)=O)c1cncc(C#N)n1 1112780068 QJWBZJMNQNCHFU-NSHDSACASA-N 317.353 -0.556 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@H](C)c2ccnn2C)CC1 1112862571 QSKASYCAUHIAAP-CYBMUJFWSA-N 319.409 -0.030 30 20 DBED C[C@@H](CNC(=O)c1nnn(C)n1)N(C)c1ccncc1C#N 1113814770 LISCEZXGFICJTE-VIFPVBQESA-N 300.326 -0.269 30 20 DBED CNC(=O)NCC(=O)NC[C@@H](C)N(C)c1ccnc(C#N)n1 1113938926 QEXRFUBJLDXZPO-SECBINFHSA-N 305.342 -0.782 30 20 DBED C=CCOCCN1C[C@H]2C(NC(=O)c3cc(=O)n(C)o3)[C@@H]2C1 1114175199 AECDAPTUPULDDF-GHMZBOCLSA-N 307.350 -0.159 30 20 DBED C=C[C@](C)(O)CC(=O)NC1[C@@H]2CN(Cc3nc(O)n[nH]3)C[C@@H]12 1114194182 MERAGELFURGSHW-NUPCCRGMSA-N 307.354 -0.616 30 20 DBED C#CCOCCC(=O)NC1[C@@H]2CN(CCn3cncn3)C[C@@H]12 1114268156 GTAGEVTTZDACAG-CHWSQXEVSA-N 303.366 -0.636 30 20 DBED CC1(C)CN(c2ccc(C#N)cn2)C[C@@H]1NC(=O)CNC(N)=O 1114424379 WJTVKQRVYMUWOA-NSHDSACASA-N 316.365 -0.047 30 20 DBED C=C(C)CN1C[C@H]2C(NC(=O)[C@H](C)NS(C)(=O)=O)[C@@H]2C1 1114888342 FKDKXWOTKFRUMU-HBNTYKKESA-N 301.412 -0.453 30 20 DBED C=CCCCN1C[C@H]2[C@H](NC(=O)CN3C(=O)CNC3=O)[C@H]2C1 1115210788 OAPQEYZTHQRUMA-YABSGUDNSA-N 306.366 -0.449 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)c3nonc3C)[C@H]2C1 1115346200 SZZVBZURDZNUGM-UWVGGRQHSA-N 305.338 -0.660 30 20 DBED COC(=O)c1cnc(C(=O)OCC(=O)NC2(C#N)CCC2)cn1 1117287050 ZGVBWUJXQROMSW-UHFFFAOYSA-N 318.289 -0.018 30 20 DBED C=CCCOCCNC(=O)C(=O)NC[C@H]1COC(C)(C)O1 1117465174 OPHVBWPMLDGWJJ-NSHDSACASA-N 300.355 -0.037 30 20 DBED N#Cc1cccc(NC(=O)C(=O)N2CCN3C(=O)CC[C@H]3C2)n1 1118203187 NPBHYALYRYPQJI-NSHDSACASA-N 313.317 -0.275 30 20 DBED N#Cc1nccnc1N[C@@H](CO)CNC(=O)COCC1CC1 1121092900 UDDMTNSZMMLWJW-LLVKDONJSA-N 305.338 -0.336 30 20 DBED Cc1nc2ncnn2c(N[C@@H](CO)CNC(=O)[C@H](C)C#N)c1C 1121213923 VLKNZVJEWLZUJF-LDYMZIIASA-N 317.353 -0.210 30 20 DBED Cc1nccc(C(=O)NC[C@H](CO)N=c2cc[nH]cc2C#N)n1 1121660116 VOROSZKOIKZJBQ-GFCCVEGCSA-N 312.333 -0.324 30 20 DBED CC(=O)NC(C)(C)C(=O)NC[C@@H](CO)Nc1cnc(C#N)cn1 1121777939 NUKWFQVVGAXANL-NSHDSACASA-N 320.353 -0.848 30 20 DBED CC[C@H](C(=O)NC[C@H](CO)Nc1nc(C)cc(C#N)n1)N(C)C 1121812868 QTDCHLDHZSZFKU-CHWSQXEVSA-N 320.397 -0.114 30 20 DBED CN(C[C@@H](O)CNc1ccc(C#N)cn1)C(=O)[C@H]1CCC(=O)N1 1124208880 ZBRFWSWKXXLNLK-NWDGAFQWSA-N 317.349 -0.537 30 20 DBED CN(C[C@@H](O)CNc1ncccc1C#N)C(=O)[C@@H]1COC(=O)N1 1124271508 LNTFPSPUDLEUFS-QWRGUYRKSA-N 319.321 -0.707 30 20 DBED C#CCN1CCn2ncc(CNC(=O)[C@@H](C)CC(N)=O)c2C1 1128431882 MWIZOGBCWADNHC-NSHDSACASA-N 303.366 -0.540 30 20 DBED COCC(=O)N(C)CC(=O)NCCNCc1cccc(C#N)c1 1128629497 PFIUTYFDIZSGDH-UHFFFAOYSA-N 318.377 -0.131 30 20 DBED CO[C@@H](C(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1)C(C)C 1129228610 ZRQMHAVHXSCSRN-FRRDWIJNSA-N 306.370 -0.186 30 20 DBED N#CCNC(=O)CNCCNC(=O)Cc1cnn2ccccc12 1129718749 OACYPUDCKLLBOB-UHFFFAOYSA-N 314.349 -0.778 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)c2cnc3n2CCC3)C1=O 1129762617 PRHOPKQMRFNKEY-GFCCVEGCSA-N 317.393 -0.064 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1cn(C)nc1CC 1130017272 ZWKFOZXNLLENSY-NSHDSACASA-N 305.382 -0.560 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)CNC(=O)CC)C[C@@]3(C1)O2 1131210872 XZSYLFDZQISFGF-XJKCOSOUSA-N 305.378 -0.553 30 20 DBED Cc1cc(C(=O)N[C@@H](C)C[C@H](C)NCC(=O)NCC#N)cnn1 1134206379 TUHJFEXQLWRCAZ-QWRGUYRKSA-N 318.381 -0.089 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)c1cncn1C 1134885762 XFOAKJFJNKSBMB-VXGBXAGGSA-N 305.382 -0.344 30 20 DBED C[C@@H](C[C@@H](C)NCC(=O)NCC#N)NC(=O)[C@@H]1[C@H]2COC[C@H]21 1135231324 ZFYHVJCNCJTOKK-MOWSAHLDSA-N 308.382 -0.609 30 20 DBED C[C@@H](C[C@@H](C)NCC#N)NC(=O)CN1C(=O)NC(C)(C)C1=O 1136112847 ZUUJQLCTSMAIKU-ZJUUUORDSA-N 309.370 -0.287 30 20 DBED N#Cc1ccc(CNCCNC(=O)CCNC(N)=O)cc1F 1150424435 SLTOCTRKASSUJN-UHFFFAOYSA-N 307.329 -0.038 30 20 DBED CN(C)c1ncccc1C(=O)NCCNCC(=O)NCC#N 1151044013 KSWWWLOMZQIHQZ-UHFFFAOYSA-N 304.354 -0.893 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)CN(C)C(C)=O 1151972801 BIPPNDKZQAHRQJ-GFCCVEGCSA-N 310.398 -0.959 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@@H](CCC(C)C)NC(C)=O 1153809480 OPMCRMMJSAGGHY-CQSZACIVSA-N 324.425 -0.618 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCCN[C@H]1CCN(C)C1=O 1160209524 OSCMTVXBHPQNIB-KBPBESRZSA-N 306.410 -0.589 30 20 DBED C#CCN1CC=C(CCNC(=O)CC[C@@H]2NC(=O)NC2=O)CC1 1161834722 RZXXEXHXVPRHPC-ZDUSSCGKSA-N 318.377 -0.254 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)CCCC(=O)N(C)C 1171459065 IFCWMQCZJWXQTF-ZDUSSCGKSA-N 324.425 -0.521 30 20 DBED CC#CCNC[C@@H]1CCN(C(=O)c2nnc(O)nc2O)C[C@H]1C 1184747092 LJFPDMNHGUMKKA-MNOVXSKESA-N 319.365 -0.006 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CCO[C@H]2C=C)C1 1185749266 FZRNGPWZGBRQOL-MCIONIFRSA-N 305.378 -0.483 30 20 DBED N#CCNC[C@H]1CN(C(=O)CNC(N)=O)CC12CCOCC2 1186245293 IYUJAYLKSDRMAD-NSHDSACASA-N 309.370 -0.977 30 20 DBED COC(=O)NCC(=O)N1C[C@H](CNCC#N)C2(CCOCC2)C1 1186273223 NAXINNLTSADWGA-LBPRGKRZSA-N 324.381 -0.289 30 20 DBED C=CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3csnn3)[C@@H]2C1 1188697823 GDEWBGBIIYVVSZ-CMPLNLGQSA-N 321.406 -0.013 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)[C@H]2COCCO2)C1 1188948784 NQJKVFJKAAHRHZ-QWHCGFSZSA-N 311.382 -0.763 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCCCO2)C1 1192088448 UWMFXWAAZQUXHR-RRFJBIMHSA-N 310.394 -0.243 30 20 DBED C#CCCN(C)[C@H]1CCN(C(=O)C2CC3(C2)NC(=O)NC3=O)C1 1192794585 MAONYCAJWZENRF-BGMSHATGSA-N 318.377 -0.469 30 20 DBED CC(C)(C)C#CC(=O)N[C@@H]1CN(CC(=O)NC2CC2)C[C@H]1O 1192871488 QSYWORHMWMIWSY-CHWSQXEVSA-N 307.394 -0.524 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)NC(=O)CC(F)(F)F)C1 1193173699 CQMXHTJLQZJYDO-OPRDCNLKSA-N 323.315 -0.209 30 20 DBED C#CCNC(=O)[C@H](C)N1CCCN(C(=O)c2ccnn2C)CC1 1195138071 MIAIVOWLGNHEJE-ZDUSSCGKSA-N 317.393 -0.294 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)Cc2cnoc2)C1 1195561394 OQHBNWFDJXLTIT-RAIGVLPGSA-N 322.365 -0.931 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)CCc2cn(C)nc2C)C1 1196616061 FRPGXFOGNNNJTN-HUUCEWRRSA-N 304.394 -0.154 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)Cn2ccnc2)CC1 1198364350 RFIFDMVVFHWAHP-UHFFFAOYSA-N 305.382 -0.280 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)Cc2ccc(C)nc2)C1 1198699868 YWVAIODERDVKDN-HZPDHXFCSA-N 317.389 -0.256 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)CCS(=O)(=O)N(C)C)C1 1198975228 LUKSCZLMSNHFSQ-VXGBXAGGSA-N 319.427 -0.995 30 20 DBED COCC#CCNC1CCN(C(=O)Cn2cnnc2O)CC1 1200139672 IWGTVQDDXVZPRG-UHFFFAOYSA-N 307.354 -0.786 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)CCC(=O)NCC)[C@H](C)C1 1206565268 LDRGVHBFAMYWST-CHWSQXEVSA-N 322.409 -0.911 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(Cc2cncn2C)C[C@H]1C 1206887285 FELLMBKGERNCJU-TZMCWYRMSA-N 317.393 -0.504 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)C2CN(C(C)=O)C2)C1 1207898963 YRGVPKAKRCPOOE-AWEZNQCLSA-N 322.409 -0.653 30 20 DBED C#CCCCC(=O)N1CCC[C@@H](NCC(=O)NC(=O)NC)C1 1207945260 YXUVDPOKKXBPMD-GFCCVEGCSA-N 308.382 -0.174 30 20 DBED CC#CCN[C@@H]1CCCN(C(=O)Cn2ccc(=O)n(C)c2=O)C1 1208278959 DNCOMXIQVRXVFQ-CYBMUJFWSA-N 318.377 -0.849 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)[C@H](C)CC(N)=O)[C@H](C)C1 1208301883 PUADJJZOEZIZHG-IJLUTSLNSA-N 310.398 -0.763 30 20 DBED C#CCN1C[C@@H](NC(=O)CNC(=O)c2cccnc2)[C@H](C)C1 1208808917 DPEDJMTUTHUIQL-TZMCWYRMSA-N 300.362 -0.119 30 20 DBED CCS(=O)(=O)N(C)CC(=O)N[C@@H]1CN(CC#N)C[C@H]1C 1209920175 HBYMEOSECDUXHY-GHMZBOCLSA-N 302.400 -0.772 30 20 DBED C#CCCN[C@@H]1CCCN(C(=O)[C@H]2COCCN2C(C)=O)C1 1211160792 QWXCWAZFXNCHAQ-HUUCEWRRSA-N 307.394 -0.162 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)CCCC(C)=O)[C@H](OC)C1 1211851065 FGBKTQHCTVVNDP-ZIAGYGMSSA-N 323.393 -0.690 30 20 DBED CO[C@@H]1CN(CC(=O)NCC2CC2)C[C@H]1NC(=O)[C@@H](C)C#N 1212039962 YZEVBORJMDMKPK-CYZMBNFOSA-N 308.382 -0.512 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)CC[C@@]1(C)CCC(=O)N1 1214005014 CYMLOCBYDWFLHC-JMSVASOKSA-N 308.382 -0.226 30 20 DBED Cc1noc(C)c1C(=O)N1C[C@@H](NCC(=O)NCC#N)[C@H](C)C1 1214114030 DLARVONHVIXENZ-BXKDBHETSA-N 319.365 -0.019 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)CC[C@@H](C)OC)C[C@H]1C 1214479672 DSQGCKPLHRTAKR-MGPQQGTHSA-N 309.410 -0.013 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)c2ccccc2)C1 1219110365 LXAJLRDOBWMKQL-YUELXQCFSA-N 315.373 -0.401 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)[C@H](C)n2cccn2)C1 1219216634 RQCWMQOMSHORRA-MJBXVCDLSA-N 308.382 -0.192 30 20 DBED CCO[C@@H](C(=O)N[C@@H]1CN(CC#CCOC)C[C@@H]1O)C1CC1 1219643191 JKHALRXCRFKBIA-QLFBSQMISA-N 310.394 -0.387 30 20 DBED C#CCC1(C(=O)N[C@@H]2CN([C@@H]3CCCNC3=O)C[C@@H]2O)CCC1 1219785497 QCJRANFRMUSFNK-MCIONIFRSA-N 319.405 -0.380 30 20 DBED C=C(C)C[C@@H](C)C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[nH]2)C[C@@H]1O 1220190278 HRWIUMHMYAUOLD-UTUOFQBUSA-N 323.397 -0.628 30 20 DBED CCCCCCCN1C[C@H](O)[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 1220237016 NBDUKOYRUWQRLL-UPJWGTAASA-N 312.414 -0.201 30 20 DBED CN(C)[C@H](C(=O)N[C@@H]1CN(CC#N)C[C@@H]1O)c1cccnc1 1221101924 BLXWCVSPCAUYPY-RDBSUJKOSA-N 303.366 -0.631 30 20 DBED CN(C)CCCC(=O)N1C[C@H]2CCN(CC(=O)NCC#N)C[C@H]21 1221772811 OFBYGMJUUZHHBC-ZIAGYGMSSA-N 321.425 -0.499 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)[C@H]2CCCO2)CC1 1222293761 MYHYSRSSYMSYOL-CQSZACIVSA-N 307.394 -0.257 30 20 DBED COCC1(C(=O)NCC2CCN(CC(=O)NCC#N)CC2)CC1 1223817102 QXBZNMWZCXYPAH-UHFFFAOYSA-N 322.409 -0.119 30 20 DBED COCC#CCN1CCC(NC(=O)c2cc(=O)n(C)cn2)CC1 1227859908 DRVQIIWJLLKYNV-UHFFFAOYSA-N 318.377 -0.376 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCC(NC(=O)Cn2cncn2)CC1 1230189953 FNJNPQVDCHTIEQ-GFCCVEGCSA-N 320.397 -0.451 30 20 DBED N#CCN1CCS(=O)(=O)[C@H](CCNC(=O)[C@H]2CCCO2)C1 1230416842 SITNFNSRSQNRHJ-VXGBXAGGSA-N 315.395 -0.706 30 20 DBED C=CCCC(=O)NCCCN(C)Cc1cc(=O)n(C)c(=O)n1C 1235465795 ZOIDISOPZLYPPG-UHFFFAOYSA-N 322.409 -0.012 30 20 DBED N#CC1(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CCOCC1 1251886023 MHDAVSJLHZTEOH-UHFFFAOYSA-N 306.278 -0.055 30 20 DBED CN(C(=O)NCCN/C(O)=C1\N=CC=CC1=O)C1CC(O)C1 1254793672 MFFGYOHJMIRYET-OUKQBFOZSA-N 308.338 -0.323 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)CCO1 1261168926 FIPGQDFCXHSPLW-YVECIDJPSA-N 319.361 -0.189 30 20 DBED C#CCN(C(=O)C(=O)NCC(=O)NOCC)C1CCCCC1 1261543414 NPZZJSOQVBHPNR-UHFFFAOYSA-N 309.366 -0.035 30 20 DBED N#Cc1ccc(S(=O)(=O)CCNCCn2ccnn2)nc1 1262558845 RCWFPBXNHHJYDS-UHFFFAOYSA-N 306.351 -0.392 30 20 DBED CCn1ccc(CC(=O)N[C@@H]2CCN(CC(=O)NCC#N)C2)n1 1267741741 KUKPSFQOFCNFEF-CYBMUJFWSA-N 318.381 -0.724 30 20 DBED C#CCNC(=O)CN1CCC[C@@H](NC(=O)c2nccc(C)n2)C1 1317931252 RKDNDRUVJAWSOK-CYBMUJFWSA-N 315.377 -0.271 30 20 DBED N#CCn1cc(NC(=O)C(=O)NCCCn2cccn2)cn1 1319960445 MBKHJDYKSKCGQH-UHFFFAOYSA-N 301.310 -0.252 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)Nc1ccc(OCC(N)=O)cc1 1321242363 WHXFILDKDNLJIN-SNVBAGLBSA-N 321.333 -0.194 30 20 DBED N#CCC1(CNC(=O)C(=O)NCCCN2CCOCC2)CC1 1321367916 UEMGVKRGRWVCKW-UHFFFAOYSA-N 308.382 -0.365 30 20 DBED CN(C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCO[C@H](C#N)C1 1322953755 AXVGKZWMFVJIII-FRRDWIJNSA-N 308.382 -0.274 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CC(OCCOCC)C1)[C@@H]1CCCO1 1323819176 GMQJXFDGMOOLHY-KBPBESRZSA-N 324.377 -0.453 30 20 DBED CS(=O)(=O)[C@@H]1CCN(C(=O)NC2CCN(CC#N)CC2)C1 1327086029 WIJAGWIPWBCTTG-GFCCVEGCSA-N 314.411 -0.197 30 20 DBED C=CCCCNC(=O)C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 1327524322 DQNKSWOSRVUQIQ-SNVBAGLBSA-N 303.384 -0.781 30 20 DBED C#CCSCCNC(=O)C(=O)N[C@@H]1C[C@H]2CCCCN2C1=O 1327682783 HHBFDJBZTYJXTC-VXGBXAGGSA-N 323.418 -0.261 30 20 DBED N#CC[C@H]1CCCN(C(=O)C(=O)NCCNC(=O)C2CC2)C1 1327855762 QPDMNCDNQOJZFR-LLVKDONJSA-N 306.366 -0.219 30 20 DBED C[C@@H]1CN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)CCCO1 1331945266 FKMGZUDIRNQUIE-TZMCWYRMSA-N 320.393 -0.177 30 20 DBED CO[C@@H]1CC[C@H](NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1 1332478619 XFRCNVHGIWEPPZ-IACUBPJLSA-N 320.393 -0.131 30 20 DBED C#CCOCCNC(=O)C(=O)NCc1cc2c(nc1O)CCC2 1332599007 HJCOGTGQWWYNQP-UHFFFAOYSA-N 317.345 -0.342 30 20 DBED O=C(NCC#CCO)c1cscc1C(=O)NCC#CCO 1334936965 XTEBNMXNJHUHHK-UHFFFAOYSA-N 306.343 -0.801 30 20 DBED N#C[C@]1(F)CCN(C(=O)C(=O)NCc2nnnn2CC2CC2)C1 1343366958 NLLLGVOKZBJDLY-CYBMUJFWSA-N 321.316 -0.837 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)N2CC[C@@H]([C@H]3CCOC3)C2)C1 1345972176 LLSPCPSOLWPSCF-WWGRRREGSA-N 321.377 -0.252 30 20 DBED C=CCN(C(=O)C(=O)N1C[C@H](C)O[C@@H](CO)C1)[C@H](C)COC 1347004559 SLTJXPNDPNKDIU-FRRDWIJNSA-N 314.382 -0.356 30 20 DBED N#CCN1CCC(NC(=O)C(=O)N2[C@H]3CC[C@H]2CNC3)CC1 1347220010 YLZKPUJDLAXABZ-STQMWFEESA-N 305.382 -0.947 30 20 DBED COC(=O)COCCNC(=O)NCCNc1ccc(C#N)cn1 1351328656 DSKJGVZEXUXZIA-UHFFFAOYSA-N 321.337 -0.146 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCn2nc(C3CC3)cc2C1 1354590954 MCNWCKWEMXAIOG-UHFFFAOYSA-N 316.361 -0.131 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N[C@H]1CCCN(CC)C1=O 1354933195 KLDQBZXSISLYSN-LBPRGKRZSA-N 311.382 -0.226 30 20 DBED COC(=O)C1(O)CCN(C(=O)[C@H](C)n2cnc(C#N)n2)CC1 1362254372 NVTJPBSVTQHVAP-VIFPVBQESA-N 307.310 -0.763 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CCN(C(=O)CN2CCCCC2=O)C1 1372297410 COZCDVLEYBVXMJ-VXGBXAGGSA-N 306.366 -0.124 30 20 DBED CN(CCNC(=O)c1cnn(C)c1N)C(=O)c1cc(C#N)c[nH]1 1373414723 WSHFOLOZFVCRJU-UHFFFAOYSA-N 315.337 -0.296 30 20 DBED COC[C@@H](O)CN1CC[C@@](O)(CNC(=O)c2cc(C#N)c[nH]2)C1 1376012267 VVOHZMHPMZEMCN-SWLSCSKDSA-N 322.365 -0.940 30 20 DBED Cc1c(CC(=O)NC[C@@H](O)CNC(=O)[C@H](C)C#N)cnn1C 1376624348 CXSGRBNLUPAILG-BXKDBHETSA-N 307.354 -0.976 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CCN(C(=O)c2ccn3nnnc3c2)C1 1385200311 WXGHDRTZOCHAFE-MWLCHTKSSA-N 313.321 -0.385 30 20 DBED C[C@H](N[C@H]1C[C@H](NC(=O)[C@H](C)C#N)C1)C(=O)NC(=O)NC1CC1 1398543851 ORTQGAALTNPFDF-RBLKWDMZSA-N 321.381 -0.240 30 20 DBED CN(C[C@H](O)CNCc1csnn1)C(=O)c1cc(C#N)c[nH]1 1403815087 AMSOIHRANIKIEN-LLVKDONJSA-N 320.378 -0.039 30 20 DBED COC(=O)NCC(=O)N[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 1407460698 GYHNSRMTQRIWMW-JTQLQIEISA-N 319.321 -0.427 30 20 DBED CC(=O)N1CC(C(=O)NC[C@H](NC(=O)[C@@H](C)C#N)C2CC2)C1 1407600896 BYFORACYWMNEBP-ZANVPECISA-N 306.366 -0.365 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)CCCS(C)(=O)=O)C1 1407830935 HBYFQRQXWCZLOV-DCAQKATOSA-N 315.395 -0.266 30 20 DBED CC(=O)NCC(=O)N1CC[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1 1448241041 IJKXWMDQJKMYOQ-LLVKDONJSA-N 317.349 -0.399 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@@H](O)CNC(=O)c2ccns2)c1 1457957473 DYBOVOQJEXSYJS-SECBINFHSA-N 319.346 -0.136 30 20 DBED C[C@H](C#N)C(=O)NCCN(C)C[C@@H](O)COC1CCOCC1 1492216513 CUOMPVNYFLEYDU-CHWSQXEVSA-N 313.398 -0.249 30 20 DBED Cc1nn(C)c(C)c1CC(=O)NC[C@H](O)CNC(=O)[C@@H](C)C#N 1501585707 TUMQPYYKEUMZHN-CABZTGNLSA-N 321.381 -0.668 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@@H]2CNC(=O)Cc2nc[nH]n2)c1 1505901654 PRIBAEKQYYTQGX-SNVBAGLBSA-N 313.321 -0.422 30 20 DBED C[C@@H](C(=O)NC(N)=O)N1CCCC2(CN(C(=O)[C@H](C)C#N)C2)C1 1506854724 DINOKTNNMFYRHY-MNOVXSKESA-N 321.381 -0.346 30 20 DBED N#Cc1ncn(CC(=O)N[C@H](c2ccccc2)c2nn[nH]n2)n1 1557722288 GZKACUOUBJVWIO-GFCCVEGCSA-N 309.293 -0.431 30 20 DBED N#Cc1c(-c2nn[nH]n2)nc(N)n1CC[S@@](=O)C(F)(F)F 1570923298 XKMMZUYOMYGZGK-OAQYLSRUSA-N 320.260 -0.214 30 20 DBED C=CC[C@@H](NC(=O)CCNC(=O)[C@@H]1CCCN1)C(=O)OCC 1574889094 KXQYHAPLDIFGRV-NWDGAFQWSA-N 311.382 -0.131 30 20 DBED CCOC(=O)[C@H](CO)NC(=O)[C@H]1NCCc2cc(C#N)ccc21 1577914107 NFXNJRVGZQGCEB-KBPBESRZSA-N 317.345 -0.215 30 20 DBED N#Cc1nc(N2CCC[C@@H]2C2OCCO2)cnc1-c1nn[nH]n1 1581879745 WLYKXAFYWIWBRS-SECBINFHSA-N 314.309 -0.130 30 20 DBED C#CCN(CC(=O)O)C(=O)[C@H]1CNC(=O)C[C@@H]1C(F)(F)F 1588399149 GTZGHIVVQOVOPI-YUMQZZPRSA-N 306.240 -0.153 30 20 DBED C[C@@](C#N)(CC(=O)O)C(=O)NC[C@@]12COCCN1C(=O)OC2 1588557256 HZBMLETUFROLFQ-STQMWFEESA-N 311.294 -0.672 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CC[C@@](O)(C(=O)O)C1 1596231520 OWEZOWMBHIAFCO-ONGXEEELSA-N 305.356 -0.766 30 20 DBED CN(C(=O)[C@H]1C[C@@H]1C(=O)O)C1CN(C(=O)CSCC#N)C1 1597998213 IXVIYTDSOHGGJB-UWVGGRQHSA-N 311.363 -0.367 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)C[C@H](C)CC(=O)O)CC1 1602725592 ZUNSOTXUBYONKM-ZDUSSCGKSA-N 323.393 -0.229 30 20 DBED C=CC[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C(=O)O)C[C@@H](O)C2)C1 1602855537 TWSFDCXWSYWSKJ-GRYCIOLGSA-N 310.350 -0.295 30 20 DBED C=CCS(=O)(=O)CCNC(=O)NC[C@H]1CCO[C@H]1C(=O)O 1602924687 AVUBWXXPJXWDGI-NXEZZACHSA-N 320.367 -0.624 30 20 DBED N#Cc1cccc(C(=O)N2CCS(=O)(=O)C[C@H]2CC(=O)O)n1 1608215290 OIGFWWOYIBEDIW-SNVBAGLBSA-N 323.330 -0.333 30 20 DBED C#CC[C@H](NC(=O)CCCS(=O)(=O)N1CCCC1)C(=O)O 1609078910 OPLSMTOCKVBEFA-NSHDSACASA-N 316.379 -0.215 30 20 DBED C[C@@H](OC(=O)[C@@H](O)c1ccc(C#N)cc1)C(=O)NCC(=O)O 1609790527 SWMGEHVELWLDPY-PELKAZGASA-N 306.274 -0.276 30 20 DBED N#Cc1ccc(C(=O)OCC(=O)N2CCC(C(N)=O)CC2)[nH]1 1647164852 SZVZYMPLVRUMRR-UHFFFAOYSA-N 304.306 -0.233 30 20 DBED CC(C)(C)C#CC(=O)N[C@@H]1CCCN(CC(=O)NC(N)=O)C1 1664993586 WRRUEUHNRAAVTK-LLVKDONJSA-N 308.382 -0.189 30 20 DBED CC#CCN[C@H](CNC(=O)CCn1ncn(C)c1=O)C1CC1 1752471222 ASTIJLKBZKERLI-CYBMUJFWSA-N 305.382 -0.520 30 20 DBED C=CCNC(=O)CN1CC[C@H](CNC(=O)[C@H]2COCCO2)C1 1753118050 DJQRCZRTMBIERE-CHWSQXEVSA-N 311.382 -0.858 30 20 DBED C#CCNC(=O)CN1CC[C@@H](CNC(=O)c2ccns2)C1 1753128567 IEHGXPFKBWUYBT-NSHDSACASA-N 306.391 -0.056 30 20 DBED CC#CCN1CCN(CCN(C)C(=O)[C@H]2CCNC2=O)CC1 1753341629 AAPKYFYRHCTXAW-AWEZNQCLSA-N 306.410 -0.778 30 20 DBED C=CCNC(=O)[C@H](C)N1CC(NC(=O)[C@@H]2CCNC(=O)CC2)C1 1753382791 WDUAHQRFMIGWJS-RYUDHWBXSA-N 322.409 -0.606 30 20 DBED C[C@H](CC(=O)NC1CN(CC(=O)NCC#N)C1)[C@H]1CCCO1 1753392976 YQOIACFPZSTACY-DGCLKSJQSA-N 308.382 -0.368 30 20 DBED C=CCNC(=O)CNC[C@H](C)N(C)C(=O)C[C@H]1CCC(=O)N1 1753715668 BPEIQHYSAJXSMW-NWDGAFQWSA-N 310.398 -0.606 30 20 DBED C#CCNC(=O)[C@H](C)NC/C=C/CNC(=O)c1coc(OC)n1 1754153813 MZJATZHIKYKPJZ-QRGHLMKCSA-N 320.349 -0.303 30 20 DBED CCc1nc(C(=O)N[C@H]2[C@H]3C[C@H]2N(CC(=O)NCC#N)C3)co1 1754424476 XLXTUFFYVNUJOF-PXWWUCIGSA-N 317.349 -0.321 30 20 DBED COc1nccc(C(=O)N[C@]2(CO)CCCN(CC#N)C2)n1 1754855345 NOGDEGCWSUTAOJ-CQSZACIVSA-N 305.338 -0.435 30 20 DBED C[C@@H](NS(C)(=O)=O)C(=O)N1CC[C@@H](CCNCC#N)C1 1754933018 LFHUPBHMVCFSLI-GHMZBOCLSA-N 302.400 -0.724 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)CCN(C)CC)C[C@@H]1C 1755118329 GGVVNWRXZFLJBZ-UONOGXRCSA-N 308.426 -0.486 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@H](C)CNC(=O)c1cncnc1O 1755305246 LXMCTIJLOPYJOS-MNOVXSKESA-N 319.365 -0.630 30 20 DBED C=C(C)CN(C)[C@H](C)CNC(=O)c1cn(CC(=O)N(C)C)nn1 1755328777 ULXCPIKVYPOQCM-GFCCVEGCSA-N 322.413 -0.008 30 20 DBED C=CCN1CC(CCO)(NC(=O)[C@H](C)CS(C)(=O)=O)C1 1755343091 DITHSCSPMOJGAK-LLVKDONJSA-N 304.412 -0.594 30 20 DBED C=CCCN1CC(CCO)(NC(=O)c2cc(C(N)=O)ccn2)C1 1755344641 PFKFFWMIRDAZRA-UHFFFAOYSA-N 318.377 -0.077 30 20 DBED C[C@@H](NC(=O)CSCC#N)C1CN([C@H]2CCN(C)C2=O)C1 1755371520 YESDVYNPMUFFGZ-PWSUYJOCSA-N 310.423 -0.090 30 20 DBED C=CCNC(=O)CN1CC([C@H](C)NC(=O)Cc2[nH]cnc2C)C1 1755390000 IZYXIYVUQBSUQB-NSHDSACASA-N 319.409 -0.001 30 20 DBED C=CCOCCN1C[C@H]2[C@H](CNC(=O)[C@@H]3CCNC3=O)[C@H]2C1 1755427099 YWZQEOJVMYUNGA-SYQHCUMBSA-N 307.394 -0.381 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H](CNCCN1C(=O)CNC1=O)C1CC1 1755555131 HIZNNNQMPJXTMW-ZYHUDNBSSA-N 321.381 -0.476 30 20 DBED CC#CCCCC(=O)NC[C@@H](CO)N[C@@H](C)c1nnnn1C 1755636693 LYBLSVLPEDCUIP-RYUDHWBXSA-N 308.386 -0.469 30 20 DBED C#CCNC(=O)CN1CCC[C@@H](NC(=O)c2cnn(C)n2)[C@H]1C 1755720558 GGERJBSWPYBBIQ-VXGBXAGGSA-N 318.381 -0.853 30 20 DBED C#CCNC(=O)CN1CCC[C@H](NC(=O)c2nonc2C)[C@@H]1C 1755723532 QQGUQDJZHBKPMJ-RYUDHWBXSA-N 319.365 -0.290 30 20 DBED CN(C[C@H](O)CNCC#N)C(=O)c1cc(C(F)(F)F)n(C)n1 1755781657 YEFLOTYJVMCOHO-MRVPVSSYSA-N 319.287 -0.015 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H](C)CN(C)C(=O)Cc1ncc[nH]1 1756485510 AAXCTXISHFZVDG-RYUDHWBXSA-N 306.366 -0.046 30 20 DBED C#CCOCCC(=O)NC[C@@H]1C[C@H]2CC[C@H]1N(C(=O)C(N)=O)C2 1756933883 AZWOVRLGNPTYLN-FRRDWIJNSA-N 321.377 -0.745 30 20 DBED COCCCCC(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1756983609 CQEWKXUMHIOJIC-ZIAGYGMSSA-N 308.378 -0.096 30 20 DBED C=CCCOCC(=O)N1C[C@H](O)[C@H](NC(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1757201420 HZKIHVIACDWOBT-JYKNGBAOSA-N 324.377 -0.841 30 20 DBED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3CN(C)C3)[C@H]2C1 1791799465 XBBMSWKMCNPOLT-UBHSHLNASA-N 305.378 -0.839 30 20 DBED N#CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1csnn1)C2 1795078585 HMIJGZZGGAYETK-BZBKMWRSSA-N 321.362 -0.345 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(C)cn1)C2 1800451158 PEKHJURQXONNMV-JJLQDPRZSA-N 314.345 -0.379 30 20 DBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc[nH]n3)C2)C1 1839806306 JRNRXUGCLARHSW-HNNXBMFYSA-N 318.333 -0.887 30 20 DBED C#CCCC(=O)N1CCCC12CN(C(=O)C[C@H](NC)C(=O)O)C2 1846995587 AGLCMQIHCUJLNA-LBPRGKRZSA-N 321.377 -0.334 30 20 DBED N#CCC(=O)Nc1ccc(C(=O)OCC(=O)NC(N)=O)cc1 3429224 SUVLAWQHVGHXRE-UHFFFAOYSA-N 304.262 -0.110 30 20 DBED C#CCNC(=O)COC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O 7187015 QJRAZGMVXAFUAP-GHMZBOCLSA-N 306.318 -0.546 30 20 DBED C=CCNC(=O)[C@H](C)OC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O 26593236 MRSMMBDPLHTBMZ-VFZGTOFNSA-N 323.349 -0.059 30 20 DBED N#Cc1ccc(NC(=O)CCN2CCN(CC(N)=O)CC2)cc1 171633980 HGFNYZPYTPJQGT-UHFFFAOYSA-N 315.377 -0.010 30 20 DBED N#Cc1cccnc1N1CCN(C(=O)Cn2cn[nH]c2=O)CC1 180507551 BZBFTLSHUXBFEM-UHFFFAOYSA-N 313.321 -0.813 30 20 DBED N#Cc1ccc(S(=O)(=O)N2CCN3C(=O)NC[C@@H]3C2)cn1 227121047 YRUMCZGWIBKAEL-SNVBAGLBSA-N 307.335 -0.649 30 20 DBED C#CCNC(=O)NC[C@H](O)CS(=O)(=O)c1cccs1 269679141 FAVUQKLCNFGRKZ-VIFPVBQESA-N 302.377 -0.185 30 20 DBED CCOC(=O)CO/N=C(/C(=O)N1CCOC[C@H]1C)c1cc[nH]n1 278298901 IEYBPFSFBSDSTI-VFDYIDLISA-N 324.337 -0.059 30 20 DBED CCOC(=O)CO/N=C(/C(=O)N[C@]1(C)CCOC1)c1cc[nH]n1 278668149 OOXHJKHLDLZRJR-CRRKTRLDSA-N 324.337 -0.011 30 20 DBED CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@]2(C1)NC(=O)NC2=O 279053183 KSKDXOVUUQVQGS-IAQYHMDHSA-N 321.381 -0.331 30 20 DBED C#Cc1cccc(NC(=O)C(=O)N2CC(=O)N(CCOC)C2)c1 283076452 SEDMBRLJKVDHDS-UHFFFAOYSA-N 315.329 -0.119 30 20 DBED C[C@H]1CN(C(=O)C(=O)N(C)Cc2cccc(C#N)c2)CC(=O)N1 297691745 DWCARCAQFISEQR-NSHDSACASA-N 314.345 -0.136 30 20 DBED CCN1CCOC[C@H]1/C(O)=N/CCN1CCN(C(C)=O)CC1 329073309 OTNWUNGLPHSTNZ-AWEZNQCLSA-N 312.414 -0.172 30 20 DBED C[C@H](C(=O)N1CC[C@H](N/C(O)=N/C2CC2)C1)N1CCN(C)CC1 329537722 VBLBLBGGTYSIHH-OCCSQVGLSA-N 323.441 -0.111 30 20 DBED C[C@H](CNS(=O)(=O)N(C)CCC#N)CN1CCN(C)CC1 330491864 PTVUDVXLBFMBHS-CYBMUJFWSA-N 317.459 -0.450 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCOC[C@@H]2CC)C1=O 330794683 DOXOKXZTXIBLRN-JTQLQIEISA-N 309.322 -0.399 30 20 DBED CNC(=O)[C@@H]1CN([C@@H](C)C(=O)N/C(O)=N/C(C)(C)C)CCO1 330835563 UEBULJKCUJDPGL-UWVGGRQHSA-N 314.386 -0.350 30 20 DBED CCN(/C(O)=N/[C@@H]1CC(=O)N(C)C1)[C@H](C)CS(C)(=O)=O 331147551 SUFSMZNOWCVCNT-NXEZZACHSA-N 305.400 -0.114 30 20 DBED CCN(CCC#N)S(=O)(=O)NC(C)(C)CS(C)(=O)=O 336954915 XYBHBSJDMJTHMN-UHFFFAOYSA-N 311.429 -0.120 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)NC[C@@H](O)CN1CCCCC1 337972692 USRRCSKUNPLHNQ-QWHCGFSZSA-N 318.443 -0.098 30 20 DBED COCCN1CCC[C@H]1CNC(=O)C(=O)N1CCC(C#N)CC1 341541900 DVXFZEGZOFWZLW-AWEZNQCLSA-N 322.409 -0.024 30 20 DBED C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)CC(=O)NCC#N 343064310 QQHXOCNIZSXONQ-JTQLQIEISA-N 310.379 -0.033 30 20 DBED COC(=O)CCN1CC[C@H](NC(=O)c2ccc(C#N)nc2)C1=O 346907370 STHCDIMNVFXTAL-LBPRGKRZSA-N 316.317 -0.153 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N[C@H](COC)[C@H]1CCCO1 346925331 BAIRXVUMJUQNFG-CHWSQXEVSA-N 314.382 -0.042 30 20 DBED CC(C)[C@@H](C#N)NC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 347513279 JOCUFFIKPJOSNH-LLVKDONJSA-N 315.333 -0.090 30 20 DBED COC(=O)c1cccc(C(=O)NCCn2cnc(C#N)n2)n1 356316788 CMELWXWJLRVSIO-UHFFFAOYSA-N 300.278 -0.239 30 20 DBED C=CCNC(=O)NC(=O)CN1CCN([C@@H]2CCCN(C)C2)CC1 363218534 JMCCHZLAHMNXAX-CQSZACIVSA-N 323.441 -0.290 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H](CO)[C@H]2C)C1=O 414089451 ZDQBKXKEBXVDGC-GHMZBOCLSA-N 323.349 -0.417 30 20 DBED C=CCOC[C@@H](NC(=O)c1ccc2nn[nH]c2n1)C(=O)OC 416229970 WYLSEDGKGLFCKF-SNVBAGLBSA-N 305.294 -0.173 30 20 DBED Cc1ccc(C(=O)N[C@H](C)CO)cc1S(=O)(=O)NCC#N 433693334 IINQOJRHOBUSNN-SNVBAGLBSA-N 311.363 -0.093 30 20 DBED CN(C)C(=O)Cn1cnc(NC(=O)c2cc(C#N)cs2)n1 437699233 QGLMKALSLCMTON-UHFFFAOYSA-N 304.335 0.552 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)c2ccc(O)nc2)CC1 490874308 MGDPKLFJVBKPAD-LBPRGKRZSA-N 316.361 -0.317 30 20 DBED CCOC(=O)CN(CC(N)=O)C(=O)c1ncc(C#N)cc1C 550121870 AHPJBDQCLYAHQF-UHFFFAOYSA-N 304.306 -0.248 30 20 DBED CN(C)S(=O)(=O)NCCNC(=O)Cc1cccc(C#N)c1 563333703 NXGVNAFVGKIJNP-UHFFFAOYSA-N 310.379 -0.387 30 20 DBED C=CCOC[C@H](NS(=O)(=O)CC1(C)COC1)C(=O)OC 583178837 UDIQDSDZVXYZEV-JTQLQIEISA-N 307.368 -0.314 30 20 DBED CS(=O)(=O)NC1CC(NC(=O)N2CC[C@](O)(CC#N)C2)C1 592020882 HFRKKGHWRZWMLQ-RTYFJBAXSA-N 316.383 -0.873 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@H](N(C)C)[C@@H]2C)C1=O 615308345 MGDRMRMWXNADBP-QWRGUYRKSA-N 322.365 -0.486 30 20 DBED NC(=O)CCNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 743305379 ANMOFFHTVJTIRB-UHFFFAOYSA-N 324.362 -0.893 30 20 DBED C#CCOCCNC(=O)CSCC(=O)N1CCOCC1 753232935 TXWIQEJAFZXMPI-UHFFFAOYSA-N 300.380 -0.656 30 20 DBED C=CCS(=O)(=O)CCNC(=O)NC[C@@](C)(O)CN(C)C 783304841 RDXHFGTWYYTCMG-GFCCVEGCSA-N 307.416 -0.801 30 20 DBED C[C@@H]1CN(C)C(=O)CN1C(=O)CNC(=O)c1ccc(C#N)cc1 783757551 CJWAWSQONBVVMH-LLVKDONJSA-N 314.345 -0.023 30 20 DBED C#CCOCCNC(=O)C(=O)Nc1ccc(-n2ccnc2)nc1 785161526 SYVBQNNEFMJFKG-UHFFFAOYSA-N 313.317 -0.028 30 20 DBED CC(C)C#CC(=O)N1CCN(S(=O)(=O)c2nc[nH]n2)CC1 831960771 HVNZBRPEQMPRKX-UHFFFAOYSA-N 311.367 -0.703 30 20 DBED C=CCS(=O)(=O)CCNC(=O)[C@H](C)NS(=O)(=O)CC 831991470 OFYVEWCKFAXYPN-VIFPVBQESA-N 312.413 -0.969 30 20 DBED C#CCN1CCC(C(=O)N2C[C@@H](O)C[C@H](C(=O)OC)C2)CC1 844109430 GPVMNTSEUORTJQ-KBPBESRZSA-N 308.378 -0.286 30 20 DBED Cc1nn(CC(=O)O[C@@H](C)C(=O)NC2(C#N)CCC2)c(=O)n1C 848845610 VMHQEERBQIDMIX-VIFPVBQESA-N 321.337 -0.616 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CC[C@H](C)[C@@H](CO)C1)[C@H]1CCCO1 857086857 YKIOWMLYNQXDDQ-RFQIPJPRSA-N 308.378 -0.240 30 20 DBED CC[C@@H]1COCCN1CCNC(=O)[C@@H](C)n1cnc(C#N)n1 874707986 HRTBHKXKOJUYOH-VXGBXAGGSA-N 306.370 -0.062 30 20 DBED CN(C(=O)[C@H]1CCNC(=O)C1)[C@H]1CCN(C(=O)C#CC2CC2)C1 937346925 FKQYUQKVHVWXDK-KBPBESRZSA-N 317.389 -0.015 30 20 DBED Cn1nnc(C(=O)N2CC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)n1 939934588 WORGRRIELPTUER-SECBINFHSA-N 314.309 -0.946 30 20 DBED CC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCN(C(=O)[C@@H](C)C#N)C1 941123865 AIEQEPMFOOJNHF-CYZMBNFOSA-N 306.366 -0.126 30 20 DBED CCN1CCOC[C@H]1C(=O)N[C@@H]1CCN(C(=O)C#CC2CC2)C1 941341741 PJMMQBAPZKIKCQ-CABCVRRESA-N 319.405 -0.162 30 20 DBED C[C@@H](C#N)C(=O)N1CCCN(C(=O)[C@H](C)N2CCOCC2)CC1 941583555 UGPYBUPYQVTEGU-KBPBESRZSA-N 322.409 -0.072 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@@H](NC(=O)Cn3cncn3)C2)c1 942460468 KSUXUIQGYFMQDQ-LLVKDONJSA-N 313.321 -0.491 30 20 DBED C#CCN1CC[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)[C@H](C)C1 944790252 OVHPXLXLZWEVDG-VXGBXAGGSA-N 306.366 -0.660 30 20 DBED N#CCN1CCC2(CC1)CN(C(=O)CCc1nc[nH]n1)CCO2 949064666 UVLDMSVEROFMAQ-UHFFFAOYSA-N 318.381 -0.046 30 20 DBED Cn1nncc1C(=O)N1CCOC2(CCN(CC#N)CC2)C1 949086331 FLUKTXGCJHDYCZ-UHFFFAOYSA-N 304.354 -0.354 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CNC(=O)[C@@H]2CCC(=O)N2)CC1 949394232 NMTOXCPACBYNDI-PWSUYJOCSA-N 306.366 -0.221 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2CCN2C(=O)[C@@H](C)C#N)nn1 950053058 OWGDVFLFSAGTQL-WDEREUQCSA-N 302.338 -0.046 30 20 DBED Cc1ncnc(O)c1C(=O)NC[C@H]1CCN1C(=O)[C@H](C)C#N 951680915 WSGHEIWPQYBLTA-PSASIEDQSA-N 303.322 -0.019 30 20 DBED C[C@H](C#N)C(=O)N1CC(N(C)C(=O)c2cnc3n2CCOC3)C1 954642519 YPYIHGQHICJRES-SNVBAGLBSA-N 317.349 -0.144 30 20 DBED C#Cc1ccc(C(=O)N2CCN([C@@H](C)C(=O)NC)CC2)cn1 957381193 JUKXQFJWBBXMFW-LBPRGKRZSA-N 300.362 -0.045 30 20 DBED CC#CCN1C[C@H](CNC(=O)c2cccn3nnnc23)[C@@H](O)C1 958092356 QNCWREXAHYDYHV-AAEUAGOBSA-N 314.349 -0.830 30 20 DBED CC#CCN1C[C@@H](O)[C@@H](CNC(=O)c2ccn3nnnc3c2)C1 958320976 SCEUZUKWGTZECO-QWHCGFSZSA-N 314.349 -0.830 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C23CCN(CC2)C3)C1 958896786 AKMQXTLEVRHQMQ-AGIUHOORSA-N 320.393 -0.728 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2COCCN2C(=O)COC)nc1 964278236 QBSPARODLAPHHR-CYBMUJFWSA-N 317.345 -0.334 30 20 DBED CCn1cc(C(=O)NC[C@H]2COCCN2C(=O)[C@@H](C)C#N)nn1 964326736 MCYHCHKDOSIBNJ-QWRGUYRKSA-N 320.353 -0.585 30 20 DBED N#Cc1cc(C(=O)NC[C@H]2CCCCN2C(=O)C(N)=O)c[nH]1 964576012 ZCQHBSMEBGSWPA-LLVKDONJSA-N 303.322 -0.517 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC2(CN(C(=O)c3ccon3)C2)C1 965471328 JGBDYZRHAVSEMR-JTQLQIEISA-N 304.306 -0.112 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)c3cnc(O)n3C)[C@@H]2C1 974730649 JISMIWIEIMSNIA-HOSYDEDBSA-N 317.349 -0.042 30 20 DBED C#CCCN1C[C@@H](NC(=O)c2cnc(O)n(C)c2=O)C(C)(C)C1 974922015 MJWXXRZHPGEMJB-GFCCVEGCSA-N 318.377 -0.051 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2CCC[C@H](NC(=O)C(N)=O)C2)nc1 983672251 SRAUYVJKDOZIGR-RYUDHWBXSA-N 314.345 -0.295 30 20 DBED C=CCn1cccc1C(=O)NC1CN(C(=O)[C@@H]2CCC(=O)N2)C1 994196484 DYYIVUNWHMRBAO-LBPRGKRZSA-N 316.361 -0.107 30 20 DBED C=CCn1cc(C(=O)N2CC(NC(=O)c3c[nH]nc3C)C2)nn1 997290310 ZIGDWKUYRAPKHS-UHFFFAOYSA-N 315.337 -0.250 30 20 DBED C#CCN1CC[C@H](n2cc(CNC(=O)[C@@H]3[C@H]4COC[C@H]43)nn2)C1 1000011483 XECOVWCAQLDICJ-BYNSBNAKSA-N 315.377 -0.333 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)c2cn(C)c(O)n2)C1 1000033587 OLTKFNUGTIYEKO-PWSUYJOCSA-N 320.349 -0.343 30 20 DBED C=CCn1cc(C(=O)N2CCC[C@@H](N[C@H](C)C(N)=O)C2)nn1 1000401621 FWKSUFXDYKYOQJ-GHMZBOCLSA-N 306.370 -0.468 30 20 DBED C[C@@H](NC(=O)c1cnn[nH]1)C1CN(C(=O)c2c[nH]c(C#N)c2)C1 1006399501 MMZBYMMECOMOHI-MRVPVSSYSA-N 313.321 -0.105 30 20 DBED Cn1nnc(C(=O)N2CCN(C(=O)c3c[nH]c(C#N)c3)CC2)n1 1011026840 LHBWTQMUCGJGTA-UHFFFAOYSA-N 314.309 -0.992 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(C(=O)c2cnn(C)n2)CC1 1011539108 KAPJVCOADNDQBD-YPMHNXCESA-N 319.365 -0.309 30 20 DBED O=C(NC1[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]12)c1cc[n+]([O-])cc1 1012726923 YFJLSGQIOKLVLV-ZIAGYGMSSA-N 311.341 -0.080 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CC(N(C)C(=O)C(N)=O)C1 1016952252 UWOVPXZGDUAJFI-QQFIATSDSA-N 309.366 -0.442 30 20 DBED Cc1nc(CC(=O)N[C@H]2CCN(C(=O)[C@H](C)C#N)[C@H]2C)n[nH]1 1020535176 BJAREUDXALQSME-YWVKMMECSA-N 304.354 -0.079 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]2CN(C(=O)c3cnn(C)n3)C[C@H]21 1022564986 QKSCSROOYXABLI-JFGNBEQYSA-N 302.338 -0.352 30 20 DBED C#Cc1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)C(F)F)C2)cn1 1022859360 YUXZYVWBENMXNY-GHMZBOCLSA-N 309.272 -0.371 30 20 DBED Cc1ccncc1C(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1O 1023273443 KXCRQULQVRZCEQ-CYZMBNFOSA-N 302.334 -0.149 30 20 DBED CC(C)[C@@H](O)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 1023327818 SKXYFZXGRRMDTG-JHJVBQTASA-N 320.349 -0.795 30 20 DBED C#CCN1CCC[C@@H]1CNC(=O)[C@H]1C[C@H](OC)CN1C(C)=O 1028051224 IPPSGGVIDPXYEL-QLFBSQMISA-N 307.394 -0.164 30 20 DBED C=C(Cl)CN1CC(NC(=O)CN2CCCS2(=O)=O)C1 1030403500 RZSJJQZXWKXVCZ-UHFFFAOYSA-N 307.803 -0.425 30 20 DBED N#CCN1CC(CNC(=O)c2cccc(OCC(N)=O)c2)C1 1031712767 IWLKDFREXWXFBQ-UHFFFAOYSA-N 302.334 -0.264 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2CC(=O)NC1CCOCC1 1032319596 ZYEGBHDFCSSMOQ-UBHSHLNASA-N 320.393 -0.274 30 20 DBED C=CCn1cc(C(=O)N2C[C@@H]3C[C@H]2CN3[C@@H](C)C(N)=O)nn1 1032670147 OFWJVDBWDHGSGG-DCAQKATOSA-N 304.354 -0.763 30 20 DBED C#CCN1CC[C@H](N(C)C(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 1033078024 WASPNCIZUGWMNB-STQMWFEESA-N 315.377 -0.072 30 20 DBED N#CCN1CCO[C@H](CNC(=O)c2cn3c(n2)COCC3)C1 1035422193 ZCAWATIRVZUIOX-LLVKDONJSA-N 305.338 -0.633 30 20 DBED C#CCN1CCO[C@H](CNC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)C1 1035520099 LUJWOXYALAZCHF-QLFBSQMISA-N 302.378 -0.026 30 20 DBED Cc1cn2ccnc(C(=O)NC[C@H]3CN(CC#N)CCO3)c2n1 1035579038 VUNPOVFTBUYAQE-LBPRGKRZSA-N 314.349 -0.008 30 20 DBED CS(=O)(=O)CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)c1ccc(C#N)[nH]1 1037365862 RZOFTPGJYKYJLC-ICCXJUOJSA-N 322.390 -0.267 30 20 DBED N#CCN1CC[C@H]1CNC(=O)[C@@H]1CC[C@H](C(=O)N2CCCC2)O1 1038704885 GZVJABSATUVADX-MELADBBJSA-N 320.393 -0.130 30 20 DBED C[C@@H]1CCN(C(=O)C(N)=O)C[C@@H]1CNc1ccc(C#N)nn1 1039889673 UNTISMBPKVMJKJ-ZJUUUORDSA-N 302.338 -0.270 30 20 DBED C#CCCN1[C@H]2CCC[C@H]1CN(C(=O)CN1C(=O)CNC1=O)C2 1039995412 LGFVCAYWZRWHRH-STQMWFEESA-N 318.377 -0.373 30 20 DBED C[C@H]1[C@@H](Nc2nccnc2C#N)CCN1C(=O)[C@H]1C[C@H]1C(N)=O 1040249043 KPMGFZPTJYIMOU-VLEAKVRGSA-N 314.349 -0.129 30 20 DBED C[C@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)CCc2ccon2)C1 1040764976 DIHLTSBZEDKFOY-IAQYHMDHSA-N 320.349 -0.154 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(O)(CNC(=O)c2cccn2C)C1 1041500797 LBKQPYGYXQJERP-HNNXBMFYSA-N 321.377 -0.345 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)CC2OCCCO2)C1 1041956560 PZWLSXGSYKVVCO-UHFFFAOYSA-N 312.366 -0.205 30 20 DBED C[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1NC(=O)[C@@H]1CCNC1=O 1042400480 NDXLAQIZVSKFHH-YUSALJHKSA-N 314.349 -0.575 30 20 DBED C=C(C)C[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2cn(C)nn2)C1 1042885044 GGLDVXIHRSWJCN-LLVKDONJSA-N 321.381 -0.280 30 20 DBED Cc1cnn(CC(=O)N2CC(O)(CNC(=O)C#CC3CC3)C2)c1 1042957963 CDEKZSPWLHOMOS-UHFFFAOYSA-N 316.361 -0.706 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)c2nn(C)cc2C)C1 1042983056 LYCLSMPFUJAWAL-UHFFFAOYSA-N 306.366 -0.002 30 20 DBED C=CCN1CC[C@@H](N2CC(N(C)C(=O)[C@@H]3CCNC3=O)C2)C1=O 1043532967 HHQAFZRJCKZYCY-CHWSQXEVSA-N 320.393 -0.948 30 20 DBED C=CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)c2ccnn2C)C1 1043568714 BKUVAVGWZBXEDD-LLVKDONJSA-N 322.365 -0.686 30 20 DBED N#Cc1cccnc1N1C[C@H](O)[C@H](NC(=O)[C@@H]2CCCO2)C1 1043849248 XSOWKQCOGQRVEJ-AGIUHOORSA-N 302.334 -0.202 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(O)(CNC(=O)[C@H](F)C(C)C)C1 1044959229 WJOKGUBJXXWDHP-TZMCWYRMSA-N 316.373 -0.003 30 20 DBED CO[C@@H](C(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1)C(C)C 1045735100 MABRKZXNWSVZKW-CQSZACIVSA-N 308.378 -0.240 30 20 DBED C=CCN1CC[C@@H](N2CCN(C(=O)c3cn(C)nn3)CC2)C1 1046029323 PQYALNHCOCENII-CYBMUJFWSA-N 304.398 -0.167 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)Cc2n[nH]c3c2CCCC3)C1 1047379543 GHZDSJRKAPLWBH-HOTGVXAUSA-N 316.405 -0.032 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cncc(COC)c2)C1 1047414468 LTVAGDNCTZIWNN-GJZGRUSLSA-N 303.362 -0.022 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)Cc2cn(CC)nn2)C1 1047466260 MHRMHRXNCCQFLW-KBPBESRZSA-N 305.382 -0.633 30 20 DBED Cc1cc(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)C#CC3CC3)C2)n[nH]1 1048821524 QBCYEMWTHGLMDF-KBPBESRZSA-N 316.361 -0.225 30 20 DBED CN(C(=O)C#CC1CC1)[C@H]1CN(C(=O)Cc2ncc[nH]2)C[C@@H]1O 1048825104 SZWOWBRBACZLTK-STQMWFEESA-N 316.361 -0.604 30 20 DBED C#CCOCCC(=O)N(C)[C@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1O 1048844132 DOEFZFGSRFEZPR-AGIUHOORSA-N 307.350 -0.784 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2ncccn2)C1 1049302353 JIYCTZJKVWYKJW-RYUDHWBXSA-N 320.349 -0.677 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)c2ccn(C)c2)C[C@@H]1O 1049387868 BNGXKZKNCVVEAF-WXHSDQCUSA-N 304.350 -0.172 30 20 DBED Cn1c(O)ncc(C(=O)N2CCC[C@H]3[C@H]2CCN3CC#N)c1=O 1049633137 GTNSLMLITMBLAN-NWDGAFQWSA-N 317.349 -0.312 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)[C@H]1CCN(C(=O)C2CC2)C1 1049685989 NLTYQQPKVCFKOS-YPMHNXCESA-N 305.378 -0.111 30 20 DBED CC#CCN1CCC2(CC1)CN(C(=O)C[C@@H]1CC(=O)NC1=O)C2 1050775807 BLIMURYBMAPFGB-ZDUSSCGKSA-N 317.389 -0.013 30 20 DBED CC#CCN1CCN([C@@H]2CCN(C(=O)c3cnn[nH]3)C2)CC1 1052047946 GDNCTCHVIHLVBH-CYBMUJFWSA-N 302.382 -0.340 30 20 DBED C=CCCC(=O)N1C[C@@H](C)[C@H](CNC(=O)Cn2ncnn2)C1 1052182668 YGIRJVPWUJSZRX-VXGBXAGGSA-N 306.370 -0.150 30 20 DBED C#CCN1CC2(C1)CN(C(=O)c1cc(=O)c(OC)co1)CCO2 1053342298 SWGXNINQWOBXFN-UHFFFAOYSA-N 318.329 -0.192 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)c1coc(C(N)=O)c1)CCO2 1053359369 OKOBHODFRMEIJF-UHFFFAOYSA-N 317.345 -0.071 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)[C@H]3CN(C)CCO3)CO2)C1 1053766777 VOYKDWWMVRVMSJ-UONOGXRCSA-N 307.394 -0.700 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)CN3CCOCC3)CO2)C1 1053781177 DATFAHMYXCTZBE-CQSZACIVSA-N 307.394 -0.699 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)[C@H]3CCCC(=O)N3)CO2)C1 1053842813 WSWIFDPUROQQDV-QWHCGFSZSA-N 305.378 -0.362 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)[C@@H]3COCCN3CC)CO2)C1 1053853305 BUMQBPIFSXUOJR-GJZGRUSLSA-N 321.421 -0.310 30 20 DBED C[C@@H]1CN(C(=O)Cc2nnn(C(C)(C)C)n2)C[C@H]1NCC#N 1054682927 YKZQZLJXBIXIJT-GHMZBOCLSA-N 305.386 -0.069 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CCN(CCNC(C)=O)CC1 1055486921 PAEUALIZYYHPSH-INIZCTEOSA-N 320.437 -0.199 30 20 DBED COC(=O)NCC(=O)N1C[C@@H]2CCCN(C(=O)[C@H](C)C#N)[C@@H]2C1 1056713989 XEWXUUJFHMKKOJ-GRYCIOLGSA-N 322.365 -0.049 30 20 DBED COC(=O)NCC(=O)N1C[C@@H]2CCCN(C(=O)[C@@H](C)C#N)[C@@H]2C1 1056713990 XEWXUUJFHMKKOJ-SDDRHHMPSA-N 322.365 -0.049 30 20 DBED C=CCCOCC(=O)NCCN(CCO)C(=O)C[C@H](C)OC 1057163504 SQMHNWZMOHQVMU-ZDUSSCGKSA-N 316.398 -0.059 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)c1ncn(C)n1 1057496649 VLYGOCFTMRGZDJ-UHFFFAOYSA-N 307.354 -0.975 30 20 DBED C[C@H]1OCC[C@H]1C(=O)NCCN(CCO)C(=O)C#CC1CC1 1057533471 OYADWGNZKIIUPH-TZMCWYRMSA-N 308.378 -0.238 30 20 DBED C=C[C@H](C(=O)N(CCO)CCNC(=O)C(N)=O)c1ccccc1 1057798143 QOCQHTFOXBERKX-ZDUSSCGKSA-N 319.361 -0.621 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)[C@@H](C1CC1)N(C)C 1057876944 VTKFEBLVPZJSJE-DGCLKSJQSA-N 310.398 -0.577 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)[C@@H](C)c1cncnc1 1058663460 TYTUFVNINZYAOR-RYUDHWBXSA-N 319.365 -0.323 30 20 DBED C=C(C)CCC(=O)NCCN(CCO)C(=O)[C@H](COC)OC 1058758263 KCYXSDKVDNGJSS-ZDUSSCGKSA-N 316.398 -0.059 30 20 DBED C#CCNC(=O)CC(=O)N1CCOC[C@H]1CNC(=O)C(C)C 1061297137 ATFXDUHMITYESX-GFCCVEGCSA-N 309.366 -0.875 30 20 DBED C=CCCC(=O)NC[C@H]1COCCN1C(=O)c1nnn(C)n1 1061401271 DTJAFMYZSWJHEV-JTQLQIEISA-N 308.342 -0.867 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)COCC1CC1 1061845188 DRLCDDHGIWOAHF-DGCLKSJQSA-N 309.366 -0.084 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)c1cncn1C 1061852659 KZVQNBNDCPDPBA-WDEREUQCSA-N 305.338 -0.463 30 20 DBED C[C@@H](Nc1cnc(C#N)cn1)C1CCN(C(=O)C(N)=O)CC1 1061874824 MCILJNNOXIZNRG-SECBINFHSA-N 302.338 -0.127 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)c2nccnc2N)CCC1 1062727849 XBVONJPRSDPPNN-VIFPVBQESA-N 302.338 -0.013 30 20 DBED C=C[C@](C)(O)CC(=O)NC1(CNC(=O)c2ncn(C)n2)CCC1 1062927115 GFLHJTUWTDUZJI-AWEZNQCLSA-N 321.381 -0.089 30 20 DBED CN(C(=O)Cn1cncn1)[C@H]1CCN(c2cnc(C#N)cn2)C1 1062932563 CAYANMKMWVULRE-LBPRGKRZSA-N 312.337 -0.323 30 20 DBED N#Cc1cncc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)Cn2ccnc2)n1 1064269547 AEGPDZDUKBXXKT-IFUGULHKSA-N 309.333 -0.062 30 20 DBED COCC(=O)NC[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCO1 1065021327 PCEWAWLYYKERPO-LLVKDONJSA-N 306.322 -0.510 30 20 DBED COc1nc(C(=O)N2CCO[C@@H](CNC(=O)[C@@H](C)C#N)C2)co1 1065381033 ZACCTECDGXDHTJ-UWVGGRQHSA-N 322.321 -0.200 30 20 DBED CNC(=O)NCC(=O)N[C@H]1CCCN(C(=O)[C@@H](C)C#N)CC1 1066240222 XNIGIOOUWVCQFJ-QWRGUYRKSA-N 309.370 -0.428 30 20 DBED N#Cc1nc(=NCC[C@@H]2CCN(C(=O)CC(N)=O)C2)cc[nH]1 1066289971 KWOSWVXBUWLRFN-SNVBAGLBSA-N 302.338 -0.704 30 20 DBED CC(=O)N[C@@H](C)C(=O)N1CCOC2(C1)CN(C(=O)[C@H](C)C#N)C2 1068287978 JHQDVPXCPDKVHA-MNOVXSKESA-N 322.365 -0.890 30 20 DBED C=CCCC(=O)N1CC2(C[C@@H](NC(=O)Cn3nccn3)CO2)C1 1068879870 KYHXHKZEOAMWJJ-GFCCVEGCSA-N 319.365 -0.270 30 20 DBED CCC1(NC(=O)[C@H](C)C#N)CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 1069572652 AJLOWOJWKYQQKF-MNOVXSKESA-N 321.381 -0.285 30 20 DBED N#CCN1CCn2ncc(CNC(=O)[C@H]3CC[C@H]3C(N)=O)c2C1 1069869687 YEULJPSOCSBVBL-NEPJUHHUSA-N 316.365 -0.650 30 20 DBED C=CCCN1C[C@H]2C[C@@H]3CN(C(=O)[C@H]4COC(=O)N4)C[C@@]3(C1)O2 1070793261 DCDYNPLVQUQDPK-BRXULGCHSA-N 321.377 -0.027 30 20 DBED C=CCCN1C[C@H]2C[C@H]3CN(C(=O)[C@H]4CNC(=O)N4)C[C@@]3(C1)O2 1070845063 SELMHHRFFCIXFD-VPWBDBDCSA-N 320.393 -0.454 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)[C@@H]2CCN(C)C2)CC1 1071021936 MNOHUHHNOUDJSD-CQSZACIVSA-N 308.426 -0.225 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)c2nccnc2N)C[C@@H]1C 1071834426 XSEBQHOPWACLLL-WDEREUQCSA-N 319.365 -0.162 30 20 DBED CC#CCN1CCC2(C1)CN(C(=O)CC1CS(=O)(=O)C1)C2 1072879774 YBGYRYANSVNPMM-UHFFFAOYSA-N 310.419 -0.021 30 20 DBED CC1(NC(=O)Cn2ncnn2)CCN(C(=O)C#CC2CC2)CC1 1073011627 MMIBYFFCNHXYRG-UHFFFAOYSA-N 316.365 -0.416 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CCN(C(=O)C(N)=O)CC1(C)C 1073419097 NEAOSAXTNUIQFW-GHMZBOCLSA-N 311.382 -0.194 30 20 DBED CC#CCN1CCCO[C@@H](CNC(=O)c2nnn(C)c2C)C1 1073562314 PWFJSQLAMUNHDP-ZDUSSCGKSA-N 305.382 -0.032 30 20 DBED C=C(C)CCN1CCO[C@H]2CCN(C(=O)Cn3cnnn3)C[C@H]21 1074166498 INKBINGVAWHKKG-KGLIPLIRSA-N 320.397 -0.059 30 20 DBED C#CCCN1CCO[C@@H]2CCN(C(=O)c3cc(=O)n(C)o3)C[C@@H]21 1074226469 QHOWWAHJQJGBLE-QWHCGFSZSA-N 319.361 -0.083 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)CCN3CCCC3=O)C[C@H]21 1074402579 IOUNQFKIELDKPX-CABCVRRESA-N 319.405 -0.066 30 20 DBED C[C@@H](CCNC(=O)CCNC(N)=O)NC(=O)CSCC#N 1076450020 JEZMEFPCFAFWDF-VIFPVBQESA-N 315.399 -0.687 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)Cc2cnn3c2CCCC3)C1 1077171006 YZMUXXNHOXEGAI-TZMCWYRMSA-N 303.366 -0.553 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2ccc3c(O)nccc3n2)C1 1077255992 XEVHFZTWXYRAPA-ZIAGYGMSSA-N 312.329 -0.257 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)Cc2ccccc2C(N)=O)C1 1077496347 RZRZLARFONPFRH-HUUCEWRRSA-N 315.373 -0.487 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(C[C@@H](C)OC)C[C@H]2O)cn1 1078032483 QKUZBXSGEZEYFO-KCPJHIHWSA-N 303.362 -0.127 30 20 DBED C=C(C)CN1C[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)[C@H](C)C1 1079805636 XUWKAGFVSZWLKK-CHWSQXEVSA-N 320.393 -0.440 30 20 DBED CCN(C(=O)[C@@]1(C)CNC(=O)C1)C1CN(C(=O)C#CC2CC2)C1 1080121524 FZVJOMMNFXJYRU-QGZVFWFLSA-N 317.389 -0.015 30 20 DBED C#CCOCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C(F)F)C1 1081161273 NSABPZLPWHTNNW-VHSXEESVSA-N 304.293 -0.773 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@H](CNC(=O)CN(C)C(C)=O)C1 1081289883 QHFRDPAYECZTRE-OLZOCXBDSA-N 311.382 -0.634 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)c2cnccn2)C[C@H]1O 1081333239 QDTMODKABLXIDY-WCQYABFASA-N 304.350 -0.008 30 20 DBED C=CCCC(=O)N1C[C@H](CNC(=O)c2cnnn2C)[C@@H](O)C1 1081444460 JCPJYMKKOMFKLD-JQWIXIFHSA-N 307.354 -0.670 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(CC(=O)NC)C[C@H]2OC)cc1 1082012916 PNDBTKVNBUBCEY-HUUCEWRRSA-N 315.373 -0.157 30 20 DBED C=CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CCN(C)C(=O)C1 1083123645 MIXBVFKMKKCXOJ-MELADBBJSA-N 307.394 -0.048 30 20 DBED C=CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CCn1cnccc1=O 1083235520 ICPKYAPLKJXUBF-UONOGXRCSA-N 318.377 -0.269 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1ccc(=O)n(C)n1 1083267076 HNYNNAGNAZPBTM-UONOGXRCSA-N 316.361 -0.671 30 20 DBED Cn1nnc2ccc(C(=O)N[C@@H]3CN(CC#N)C[C@@H]3O)cc21 1084000911 VZUPVZCCDMDVEW-YPMHNXCESA-N 300.322 -0.733 30 20 DBED N#Cc1cccnc1N1CCCO[C@@H](CNC(=O)CC(N)=O)C1 1089531630 IRUVWXATTREONM-LBPRGKRZSA-N 317.349 -0.460 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2cc(OCC)n[nH]2)[C@@H](O)C1 1090354856 MLCRJFHPEULICG-YPMHNXCESA-N 306.366 -0.003 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CN(c2ncc(C#N)cc2F)C[C@H]1O 1090404074 HDJYNJIPDKWZJQ-GGZOMVNGSA-N 303.297 -0.082 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2c(O)nnc(C)c2C)[C@@H](O)C1 1090478491 FYVNPXKXCKIRSM-STQMWFEESA-N 318.377 -0.013 30 20 DBED C#CCN1CC[C@H](NC(=O)c2ccc3ncn(C)c3n2)[C@H](O)C1 1090571836 CJPYEOCMKLBYPK-SMDDNHRTSA-N 313.361 -0.234 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2ccc(C(N)=O)s2)[C@H](O)C1 1090643386 FVUUSOAKJIJDEB-NXEZZACHSA-N 307.375 -0.355 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2cccc(C(N)=O)n2)[C@H](O)C1 1090839354 KZCCJRPNCYZXQU-BXUZGUMPSA-N 316.361 -0.631 30 20 DBED CNC(=O)NCC(=O)N1C[C@@H](N=c2cc[nH]cc2C#N)[C@H](C)C1 1091026701 OOXFFRCELDVTAQ-ZWNOBZJWSA-N 316.365 -0.437 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)CCCC(N)=O)C2)cn1 1091113570 DJWFFMGPSGZJCC-OLZOCXBDSA-N 317.349 -0.725 30 20 DBED C[C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1CNc1cnc(C#N)cn1 1092636309 RAMGORKWWRHBEK-NXEZZACHSA-N 317.353 -0.477 30 20 DBED CC(=O)N(C)CC(=O)N1CCN(c2nc(C)cc(C#N)n2)CC1 1093145686 PHEZFWMWXCQKCY-UHFFFAOYSA-N 316.365 -0.216 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1[C@@H]2CN(c3ccc(C)nn3)C[C@@H]21 1093267298 WNLUHUFADUMNGI-ATCWAGBWSA-N 313.361 -0.525 30 20 DBED N#Cc1nc(=NCCNC(=O)CNC(=O)c2ccccc2)cc[nH]1 1093597561 LRLIFUXBQMCYSL-UHFFFAOYSA-N 324.344 -0.272 30 20 DBED N#Cc1nc(=NCCNC(=O)C[C@H]2CCS(=O)(=O)C2)cc[nH]1 1093991966 PDYZDNBTWIZOHA-SNVBAGLBSA-N 323.378 -0.877 30 20 DBED CO[C@@H](C(=O)NCCNc1nccnc1C#N)c1cnn(C)c1 1094011579 LPTYTZPUKJTUBL-GFCCVEGCSA-N 315.337 -0.002 30 20 DBED Cc1nsc(NCCNC(=O)CN2CCNC(=O)C2)c1C#N 1094057471 VRTZIGUNNKMLBV-UHFFFAOYSA-N 322.394 -0.717 30 20 DBED C[C@@H](C(=O)NCCNc1ccc(C#N)nn1)[C@@H]1CCC(=O)N1 1094133300 MRWZOYMFEWOPPE-KOLCDFICSA-N 302.338 -0.209 30 20 DBED C=CCN1CC(n2cc(CNC(=O)c3ncn(C)n3)nn2)C1 1094288066 DIOHKSWKSNWVHJ-UHFFFAOYSA-N 302.342 -0.621 30 20 DBED COCCO[C@H](C)C(=O)NCCCN=c1cc[nH]c(C#N)n1 1094585956 FYDFHUCVBUPHJC-LLVKDONJSA-N 307.354 -0.260 30 20 DBED C#CCCN1CC(N2C[C@@H](NC(=O)[C@@H]3CCCO3)CC2=O)C1 1094702407 ZFUONEAQBWXBRF-JSGCOSHPSA-N 305.378 -0.410 30 20 DBED N#CCSCC(=O)N1CC[C@@H](Nc2ccc3nnnn3n2)C1 1095010045 AEKJDALSYZWPRF-SECBINFHSA-N 318.366 -0.211 30 20 DBED CNC(=O)NCC(=O)N1CCC[C@@H](N=c2cc[nH]c(C#N)n2)C1 1095330703 YRQIKWLJEUOEIE-SNVBAGLBSA-N 317.353 -0.898 30 20 DBED N#Cc1cncc(N2CC[C@@H](NC(=O)CCCC(N)=O)C2)n1 1096391611 LVGBAXNJPJBAJV-SNVBAGLBSA-N 302.338 -0.301 30 20 DBED N#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H]1Cc2cncn2C(=O)N1 1097573351 ANMFLIFCCJOKLV-XEZLXBQYSA-N 314.349 -0.389 30 20 DBED C#CCN(CCO)C1CCN(C(=O)[C@@H]2CCCCC(=O)N2)CC1 1098478114 WAMWNIDFDNWKRB-HNNXBMFYSA-N 321.421 -0.036 30 20 DBED C#CCNCc1cn([C@@H]2CCN(C(=O)[C@@H](COC)OC)C2)nn1 1098723101 UHBMWJMLCSLJHB-ZIAGYGMSSA-N 321.381 -0.564 30 20 DBED N#CCNC(=O)CN1CC[C@@H](NC(=O)c2ccoc2)[C@@H](O)C1 1099661269 XEPWLVXWDSKHGF-NEPJUHHUSA-N 306.322 -0.916 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)Cc2ccn(C)n2)[C@H](O)C1 1099816064 QHOWWMBLVDTNGT-HUUCEWRRSA-N 322.409 -0.283 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CCN2CCCC2=O)[C@@H](O)C1 1100115808 FFDFCYQBDGUCJT-KGLIPLIRSA-N 307.394 -0.426 30 20 DBED C#CCN1CC[C@H](NC(=O)CNC(=O)c2ccsc2)[C@@H](O)C1 1100120054 UEIBOJKSKRTGCK-STQMWFEESA-N 321.402 -0.338 30 20 DBED C[C@@H]1C[C@H](C(=O)NCCN(C)c2cnc(C#N)cn2)CC(=O)N1 1100211479 ORFUCMUIGALGOK-MNOVXSKESA-N 316.365 -0.185 30 20 DBED N#CCNC(=O)CNC1CC(CNC(=O)c2cc(C#N)c[nH]2)C1 1100224694 XGTSPKOYARPFJU-UHFFFAOYSA-N 314.349 -0.376 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1CC(NCc2nc(=O)n(C)[nH]2)C1 1100322056 AUMCYJUCLKMNIZ-UNXYVOJBSA-N 321.381 -0.869 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)CCOCC#C)C1 1100322841 WHTABTAKYJHQHS-UHFFFAOYSA-N 305.378 -0.740 30 20 DBED C=CCNC(=O)CNC1CC(CNC(=O)[C@]2(F)CCOC2)C1 1100607586 IQWRDOZIDUQGFA-QOZQQMKHSA-N 313.373 -0.098 30 20 DBED CS(=O)(=O)CC(=O)NC[C@H]1CCCN1c1ccc(C#N)nn1 1100801736 XCKRSFSWKBOWBM-LLVKDONJSA-N 323.378 -0.522 30 20 DBED C=CCNC(=O)CNC1CC(CNC(=O)Cn2cncn2)C1 1100960715 PJCYPLVTQVONMY-UHFFFAOYSA-N 306.370 -0.935 30 20 DBED CCCN(CCNC(=O)CNC(N)=O)c1ccc(C#N)nc1 1101083423 BNFBNUZKZAAFGT-UHFFFAOYSA-N 304.354 -0.046 30 20 DBED Cc1ccc(=O)n(CC(=O)NC[C@@H]2CN(CC#N)C[C@H]2C)n1 1102523935 UUBXVLNOFJEWHV-DGCLKSJQSA-N 303.366 -0.241 30 20 DBED C[C@H](CNc1cnc(C#N)cn1)N(C)C(=O)C1(C(N)=O)CC1 1104792974 LVCDWHNMIUIPFN-SECBINFHSA-N 302.338 -0.127 30 20 DBED C[C@H]1CN(C(=O)CNC(N)=O)CC[C@H]1Nc1nccnc1C#N 1105029952 LAFWVJKDRSARTF-VHSXEESVSA-N 317.353 -0.335 30 20 DBED CC(C)[C@H](CNC(=O)Cc1nc[nH]n1)N=c1cc[nH]c(C#N)n1 1105222183 YNYULUXUTCCQAH-JTQLQIEISA-N 314.353 -0.316 30 20 DBED C#CCOCCC(=O)N1CC(n2cc(CNCCOC)nn2)C1 1105240699 YODITBUICWQTBI-UHFFFAOYSA-N 321.381 -0.563 30 20 DBED CCC(=O)NCC(=O)NC[C@H](O)CNc1ccc(C#N)cn1 1105771648 QCIDDEDWWOOFJP-LLVKDONJSA-N 305.338 -0.632 30 20 DBED CCC(=O)NCC(=O)NC[C@@H](O)CNc1nc(C)cc(C#N)n1 1105771794 SWPHLJGUBNBLPG-LLVKDONJSA-N 320.353 -0.928 30 20 DBED CC(C)C#CC(=O)NC[C@H](O)CNc1ncnc2c1nnn2C 1105811544 CVNZCXAKDQFCBW-JTQLQIEISA-N 317.353 -0.693 30 20 DBED CC[C@@H](C(=O)NC[C@@H](O)CN=c1cc[nH]cc1C#N)N(C)C 1105926383 UERMGFPBAVLZAS-JSGCOSHPSA-N 305.382 -0.396 30 20 DBED Cc1nc(NC[C@H](O)CNC(=O)c2nc[nH]n2)ccc1C#N 1105932833 XUFBPAGASQKZMB-JTQLQIEISA-N 301.310 -0.417 30 20 DBED N#Cc1ccc(NC/C=C\CNC(=O)[C@H]2CCC(=O)N2)nn1 1107115335 IHGKQEYPXPAGSH-RFMOXSJOSA-N 300.322 -0.289 30 20 DBED C#CCO[C@@H](C)C(=O)NCc1cn(C2CN(CC=C)C2)nn1 1107169532 MZYLVYUTEHJWDV-LBPRGKRZSA-N 303.366 -0.025 30 20 DBED C=C(C)CN1CC(n2cc(CNC(=O)Cn3ncnn3)nn2)C1 1107172608 CIZYMTCVMSZMTN-UHFFFAOYSA-N 317.357 -0.986 30 20 DBED CN1CC[C@@H](CC(=O)NCc2cn(C3CN(CC#N)C3)nn2)C1 1107230051 YIFQMLDPUUQSNT-LBPRGKRZSA-N 317.397 -0.384 30 20 DBED C[C@@H](C(=O)NC/C=C/CNc1ccc(C#N)nn1)S(C)(=O)=O 1107576793 QKIVCTXEVPZUAH-FSIBCCDJSA-N 323.378 -0.134 30 20 DBED CNS(=O)(=O)CC(=O)NC[C@]12CCC[C@H]1N(CC#N)CC2 1107635212 JQKVLGRJFUKKJW-DGCLKSJQSA-N 314.411 -0.580 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)c1cccc(=O)n1C 1108099467 KXRQUVDOLTWMHO-SNVBAGLBSA-N 312.333 -0.301 30 20 DBED C[C@]1(CNC(=O)C2CCN(C(N)=O)CC2)CN(CC#N)CCO1 1108388019 WFQVBAAKCNTAFQ-HNNXBMFYSA-N 323.397 -0.492 30 20 DBED C[C@@H](CN=c1cc[nH]cc1C#N)NC(=O)[C@@H](C)CS(C)(=O)=O 1108414101 WDBGWPZAJNSVGV-QWRGUYRKSA-N 324.406 -0.028 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)CCc1cnn(C)n1 1108697673 LDWWGWHPFFMMRL-JTQLQIEISA-N 314.353 -0.552 30 20 DBED CC(=O)N[C@H](C)C(=O)N[C@@H](C)CN(C)c1nccnc1C#N 1108817765 HFYPNKQYAVYDHR-VHSXEESVSA-N 304.354 -0.186 30 20 DBED C[C@@H](CN(C)c1ccc(C#N)nn1)NC(=O)[C@@H]1CCC(=O)NC1 1109306035 XVGSRKCFTSMOLT-WDEREUQCSA-N 316.365 -0.185 30 20 DBED N#Cc1c[nH]ccc1=NCCN(CCO)C(=O)Cc1ccon1 1111439836 JULHAPUXZQNLMY-UHFFFAOYSA-N 315.333 -0.161 30 20 DBED C#CCOCCC(=O)NC[C@@H]1COCCN1c1ncc(F)cn1 1111700585 SIYYXMFAGKCBQI-CYBMUJFWSA-N 322.340 -0.023 30 20 DBED CN(CCCN(C)c1nccnc1C#N)C(=O)Cc1nc[nH]n1 1112121805 FQGTWQJRCRATFD-UHFFFAOYSA-N 314.353 -0.006 30 20 DBED C#CCNC[C@]12CCC[C@H]1CN(C(=O)Cn1cnnc1O)C2 1112311599 XAUXAGXJWMVKIL-WFASDCNBSA-N 303.366 -0.165 30 20 DBED C[C@@H]1C[C@@H](NC(=O)CC(N)=O)CCN1c1ccc(C#N)nn1 1112459259 GOMSHCDINHWZSQ-ZJUUUORDSA-N 302.338 -0.303 30 20 DBED COCC(=O)NC[C@@H]1CN(c2ncc(C#N)cc2F)C[C@@H]1O 1112692751 RKODBJDMPCRPCR-PWSUYJOCSA-N 308.313 -0.348 30 20 DBED CCCOCC(=O)NC[C@@H]1CN(c2nccnc2C#N)C[C@H]1O 1112710748 ZUSFCLHXHYTCHN-DGCLKSJQSA-N 319.365 -0.312 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)[C@@H]2CN(C)CCO2)CC1 1112740055 UXCSWVGBTKRUFY-KGLIPLIRSA-N 324.425 -0.848 30 20 DBED CNC(=O)CC(=O)NC[C@@H](C)N(C)c1nc(C)cc(C#N)n1 1113572523 XWOXDPACJWCOQK-SNVBAGLBSA-N 304.354 -0.266 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)[C@@H]2CCN(C)C2)CC1 1113631950 QFIVCKQWTUPEIL-ZIAGYGMSSA-N 306.410 -0.780 30 20 DBED C[C@@H](CNC(=O)Cn1nccn1)N(C)c1cncc(C#N)n1 1113738171 NAUTUKNRXUFXAU-JTQLQIEISA-N 300.326 -0.419 30 20 DBED C[C@@H]1CCN(c2ccc(C#N)nn2)C[C@H]1NC(=O)CC(N)=O 1114008348 PNCCVKDARFDZQM-MWLCHTKSSA-N 302.338 -0.445 30 20 DBED C=CCOCC(=O)NC1[C@H]2CN(CCN3CCNC3=O)C[C@H]12 1114047864 OCEFVAWMAFDCLJ-RYUDHWBXSA-N 308.382 -0.739 30 20 DBED CC(C)C#CC(=O)N[C@H]1[C@@H]2CN(CCN3C(=O)CCC3=O)C[C@@H]21 1114234522 MJBNZLCRMBHDDM-LAQFHYBYSA-N 317.389 -0.159 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)c3nc[nH]n3)[C@H]2C1 1114992670 YYSXPYFCBGRIQV-UKKRHICBSA-N 304.354 -0.845 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)c3nocc3C)[C@H]2C1 1115077152 UTOBGBFMSATEMH-NMKXLXIOSA-N 316.361 -0.219 30 20 DBED C#CCCN1C[C@H]2[C@H](NC(=O)CCS(=O)(=O)N(C)C)[C@H]2C1 1115282424 OJAMJIRKKQWBBF-IMRBUKKESA-N 313.423 -0.662 30 20 DBED CCS(=O)(=O)CC(=O)NC1[C@H]2CN(CC#CCOC)C[C@H]12 1115300366 QHGKAFZUSSZXNS-RYUDHWBXSA-N 314.407 -0.883 30 20 DBED C[C@H](CN(C)C(=O)[C@@H]1CCC(=O)N1)Nc1ccc(C#N)nn1 1115787904 MWWPXEPOFZIAFV-KOLCDFICSA-N 302.338 -0.114 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C)c2noc(C)n2)C1=O 1116324739 RAXLUKGMZGWWRR-ZETCQYMHSA-N 321.293 -0.468 30 20 DBED C#CCN1CCC(C(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)CC1 1117532324 BUYAQCZQHYVLMU-CVEARBPZSA-N 305.422 -0.001 30 20 DBED C=CCOCCNC(=O)C(=O)NCc1c(CC)nn(C)c1OC 1118623043 ANIUOSQNHWSGAH-UHFFFAOYSA-N 324.381 -0.074 30 20 DBED C#CCN(C(=O)C(=O)N1CC[C@H](N2CCOC2=O)C1)C(C)C 1120397300 ZDXAQUIGQJEVHV-LBPRGKRZSA-N 307.350 -0.090 30 20 DBED C[C@@H](CN(C)C(=O)[C@@H]1CNC(=O)N1)N=c1cc[nH]cc1C#N 1120634222 KLKUEQVDXDLTDG-CABZTGNLSA-N 302.338 -0.685 30 20 DBED CCn1cc(C(=O)NC[C@@H](CO)Nc2cnc(C#N)cn2)cn1 1121228457 HIOKRFIMIIQVLQ-LBPRGKRZSA-N 315.337 -0.233 30 20 DBED Cc1ncoc1C(=O)N(C)C[C@@H](O)CN=c1cc[nH]c(C#N)n1 1124224979 IJKMNIMPCIGMAE-JTQLQIEISA-N 316.321 -0.388 30 20 DBED CCNC(=O)CC(=O)N(C)C[C@@H](O)CNc1ccc(C#N)nn1 1124314648 HBZKRIKSQYKNIZ-NSHDSACASA-N 320.353 -0.894 30 20 DBED CN(C[C@H](O)CNc1ccc(C#N)nn1)C(=O)c1ccncn1 1124466458 RFTAXIKXMGBBNB-LLVKDONJSA-N 313.321 -0.317 30 20 DBED COCC1(C(=O)N(C)C[C@H](O)CN=c2cc[nH]c(C#N)n2)CC1 1124592148 MFFQTZZEUWTLIB-LLVKDONJSA-N 319.365 -0.572 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)C[C@H]2COC(=O)C2)C1=O 1125687693 HMFYAYVNVQYBAN-VXGBXAGGSA-N 309.366 -0.568 30 20 DBED N#Cc1cncc(N2CC=C(CNC(=O)Cn3cncn3)CC2)n1 1127649683 XZNMXPLPFGMAFT-UHFFFAOYSA-N 324.348 -0.107 30 20 DBED C=CCNCc1cccc(N2CC[C@@H](NC(=O)CC(N)=O)C2)n1 1128096568 LTQAOMZMFVUUAQ-CYBMUJFWSA-N 317.393 -0.073 30 20 DBED N#CCNC(=O)CNCCNC(=O)CCOc1cccc(F)c1 1128744609 WEWVHDWJGNEQCQ-UHFFFAOYSA-N 322.340 -0.060 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)c1cc2n(n1)CCO2 1129546461 JGJLLYVCQCURJQ-SNVBAGLBSA-N 307.354 -0.714 30 20 DBED C#CCCN[C@@H]1CN(C(=O)c2cnon2)C[C@@H]1n1ccnn1 1130047583 IPNRRZZHBYIXGG-NEPJUHHUSA-N 301.310 -0.660 30 20 DBED COc1ccc(CC(=O)NCCNCC(=O)NCC#N)cc1F 1130983123 DKPWGFVVIBYWCX-UHFFFAOYSA-N 322.340 -0.278 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)c1cc(=O)c(OC)c[nH]1 1131362973 TXRSIAFXRPZGQQ-SNVBAGLBSA-N 322.365 -0.606 30 20 DBED COC[C@H](C)CC(=O)N1CCC(=O)NCCN(CC#N)CC1 1131390693 MHCKBGUATPCURP-CYBMUJFWSA-N 310.398 -0.167 30 20 DBED C[C@@H]1CC[C@H](NC(=O)[C@@H]2[C@H]3COC[C@H]32)CN1CC(=O)NCC#N 1132227928 JJGMCDPDSSNJEX-JYKNGBAOSA-N 320.393 -0.512 30 20 DBED C[C@@H]1CC[C@@H](NC(=O)Cn2ccnc2)CN1CC(=O)NCC#N 1132533229 KKBKOGNTOPWQCN-CHWSQXEVSA-N 318.381 -0.508 30 20 DBED CC#CCCCC(=O)NCCNCCN(C)S(C)(=O)=O 1132591883 YZIXOIAVWROBMY-UHFFFAOYSA-N 303.428 -0.223 30 20 DBED CC#CCNC[C@H]1CN(C(=O)CN2CCNC(=O)C2)CC[C@H]1C 1133032317 YRUQGYLDNVKMIV-CABCVRRESA-N 320.437 -0.484 30 20 DBED C=CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)CNC(=O)C1CC1 1133772590 ASAIJMKLBYJYGX-RYUDHWBXSA-N 324.425 -0.312 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NCCNCC(=O)NC1CC1 1134816999 KYGSTOYDAUZTLX-ZDUSSCGKSA-N 310.398 -0.558 30 20 DBED COCC#CCNCCNC(=O)[C@@H](NC(=O)COC)C(C)C 1134911224 OABDCCQLJBAVRA-AWEZNQCLSA-N 313.398 -0.871 30 20 DBED C#CCN[C@@H](C)C[C@@H](C)NC(=O)c1cn(C)c(=O)n(C)c1=O 1135614340 RAOFIKGCKARMFW-WDEREUQCSA-N 306.366 -0.796 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)CCc1cn[nH]c1 1135652307 YPNDXADCVGAVCF-CHWSQXEVSA-N 319.409 -0.035 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CN(Cc2nc(O)n[nH]2)CCCO1 1149408960 SHOVWWFQDGZUOQ-NXEZZACHSA-N 308.342 -0.623 30 20 DBED C#CCCN1CCCO[C@H](CNC(=O)CCN2CCOCC2)C1 1150462253 SYUZSZBZJFWVBH-MRXNPFEDSA-N 323.437 -0.061 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)CCCCC(=O)NC)C1=O 1153058590 QMAJLEWITCBWCK-ZDUSSCGKSA-N 324.425 -0.215 30 20 DBED CC#CCN(CC)[C@H](C)CNC(=O)CNS(=O)(=O)CC 1153693158 LQIFGJBAIULVBF-GFCCVEGCSA-N 303.428 -0.224 30 20 DBED CCN(CC#N)[C@H](C)CNC(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1 1155231495 LZIXFUHEPNMGRV-UPJWGTAASA-N 310.398 -0.028 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)CCCCC(N)=O 1156277419 SUCLYMNEEUCHRP-CYBMUJFWSA-N 324.425 -0.392 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@H]1CN2CCC[C@H]2CO1 1158486571 OHYHHNPXWCCRIL-UONOGXRCSA-N 324.425 -0.752 30 20 DBED C#CCNC(=O)CNCCCNC(=O)CC1CCN(C)CC1 1167655088 DJVPJQWCAVKBNY-UHFFFAOYSA-N 308.426 -0.436 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1ccc2nncn2c1 1168261637 MAUFTQYTXNQGNO-UHFFFAOYSA-N 314.349 -0.812 30 20 DBED C#CCNCCCC[C@H](C)NC(=O)CS(=O)(=O)CCOC 1171545646 FBWKIHADYADQPV-ZDUSSCGKSA-N 318.439 -0.055 30 20 DBED C#CCN1CCC(C(=O)NCCCN[C@H](CC)C(N)=O)CC1 1176925951 FAOMMERMLSOOMY-CQSZACIVSA-N 308.426 -0.309 30 20 DBED CC#CCN1CCO[C@@H]2CCN(C(=O)C3(C(=O)NC)CC3)C[C@H]21 1177113801 YTOCWHPXYUVGCV-ZIAGYGMSSA-N 319.405 -0.162 30 20 DBED C#CCOCCC(=O)N1C[C@H]2CC[C@H]1[C@H](CNCC(N)=O)C2 1177753380 UXUJTWLNSBNCNH-IHRRRGAJSA-N 307.394 -0.272 30 20 DBED CC(C)C#CC(=O)N1CC[C@H](N[C@@H](C)C(=O)NC(N)=O)[C@@H]1C 1178660332 UDOCYBQDMMLLKW-SRVKXCTJSA-N 308.382 -0.192 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)[C@@H]2CCNC(=O)CC2)C1 1184602441 XAJCQDFSJGFIOJ-UONOGXRCSA-N 307.394 -0.257 30 20 DBED C[C@H]1CN(C(=O)c2cnn[nH]2)CC[C@H]1CNCC(=O)NCC#N 1184713764 URBAFDQIIRIART-QWRGUYRKSA-N 319.369 -0.868 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H]2CCN(C(=O)c3nc[nH]n3)[C@@H]2C1 1189462931 SFRTXEXGHUZQAV-SDDRHHMPSA-N 316.365 -0.911 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)Cc2nnc(C)o2)C1 1189962531 DXIDFKSPWVLSFU-LBPRGKRZSA-N 319.365 -0.797 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)/C=C\C(C)(C)C)C1 1191822814 GMIBUAFMWBZKGG-ZSBJFDRYSA-N 307.394 -0.501 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CN(Cc2cc3n(n2)CCC3)C[C@H]1O 1191873460 WNSANMHEFVIXGS-ZLKJLUDKSA-N 303.366 -0.350 30 20 DBED Cn1ncc(CN2C[C@@H](O)[C@H](NC(=O)C#CC(C)(C)C)C2)n1 1192804489 DNGAKOJGWFBQPQ-CHWSQXEVSA-N 305.382 -0.474 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)CCc2ccon2)C1 1194688197 NFAUSTBFOXAZTC-CHWSQXEVSA-N 322.365 -0.929 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCCN(C(=O)c2cnn[nH]2)CC1 1196401015 GSDUMUGYEUBYRX-LLVKDONJSA-N 306.370 -0.357 30 20 DBED C=CCC(C)(C)C(=O)N[C@@H]1CN(Cc2nnn(C)n2)C[C@H]1O 1196469228 QXDCCTMGJVUEOB-GHMZBOCLSA-N 308.386 -0.526 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)CCc2cscn2)C1 1199377843 PFAQKWVBZNMFMC-ZIAGYGMSSA-N 323.418 -0.113 30 20 DBED Cc1ccc(C(=O)N2CCC(NCC(=O)NCC#N)CC2)nn1 1200456208 OJDVIYQWAAZREM-UHFFFAOYSA-N 316.365 -0.381 30 20 DBED C=CCNC[C@H]1CN(C(=O)C2CC(=O)NC(=O)C2)CCCO1 1201621433 LAAANCIHRSXYMM-LBPRGKRZSA-N 309.366 -0.568 30 20 DBED C#CCNC[C@H]1CN(C(=O)c2cccn(C)c2=O)CCCO1 1201879436 FNFAPFIPYYLFRM-ZDUSSCGKSA-N 303.362 -0.161 30 20 DBED C#CCCNC1CCN(C(=O)[C@H](CCC(N)=O)NC(C)=O)CC1 1202962229 XGWVRBVLLVWELR-AWEZNQCLSA-N 322.409 -0.640 30 20 DBED N#CCNC(=O)CNC1CCN(C(=O)C23CCN(CC2)C3)CC1 1203349392 MMZLEEZWFHRLOP-UHFFFAOYSA-N 319.409 -0.697 30 20 DBED C=CCOCCN[C@H]1C[C@H]2CC[C@H]1N(C(=O)Cn1ncnn1)C2 1204342613 BLSJXOAPXQZXMI-HZSPNIEDSA-N 320.397 -0.155 30 20 DBED CC[C@@H](OC)C(=O)N1CCC(CNCC(=O)NCC#N)CC1 1204710214 AVHNWKGDMKSWCG-CYBMUJFWSA-N 310.398 -0.121 30 20 DBED CN1CC(=O)N(CC(=O)N2CCC(CNCC#N)CC2)C1=O 1206916570 RUYJWLVSUIWNCL-UHFFFAOYSA-N 307.354 -0.768 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)c2cnnn2C)C1 1207964819 HECJUQCTJBKRPL-LLVKDONJSA-N 306.370 -0.689 30 20 DBED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)/C=C(/C)C1CC1 1211952115 VIRJLKISHULIAC-XAVULWGNSA-N 320.393 -0.202 30 20 DBED C=C/C(C)=C/CC(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1OC 1213285172 IUPNCUQSPXFDMS-KDHQJITESA-N 320.393 -0.036 30 20 DBED CC#CCN[C@@H]1CN(C(=O)CCNS(C)(=O)=O)C[C@H]1C 1214763667 DQMZREVYSXIKLE-VXGBXAGGSA-N 301.412 -0.615 30 20 DBED C#CCN[C@@H]1CN(C(=O)CCCn2c(O)nnc2O)C[C@H]1C 1215017726 LXOQYYHTGYERSG-GHMZBOCLSA-N 307.354 -0.461 30 20 DBED C#CCNC(=O)CC(=O)N1CCO[C@@H]2CN([C@@H](C)COC)C[C@@H]21 1217684406 MYDNTLYWGIPVQM-MELADBBJSA-N 323.393 -0.928 30 20 DBED C=CCCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H](C)NC(N)=O 1217725326 NZJIZTYBPVNSLW-RWMBFGLXSA-N 310.398 -0.079 30 20 DBED C=CCOCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cn(C)nn1 1217784385 MIHYPGUYFQCOGG-UONOGXRCSA-N 321.381 -0.457 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(Cc2cnn(C)c2)C[C@@H]1O 1219526872 DPTVAPNHPCKWOM-IPYPFGDCSA-N 308.382 -0.592 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(C[C@@H](O)Cn2cccn2)C[C@@H]1O 1219573555 WQTBUHVYVWHJNI-KFWWJZLASA-N 320.393 -0.935 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN([C@H](C)c2cnccn2)C[C@@H]1O 1219609211 HCADGSCYXSUESE-YUELXQCFSA-N 318.377 -0.261 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)[C@@H](C)S(C)(=O)=O)C1 1219886668 MEGAVIJBEAWIAC-BBBLOLIVSA-N 310.803 -0.667 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)Cc2ccc(O)nc2)C1 1220022436 DWDABJODLHSZCL-KGLIPLIRSA-N 321.377 -0.306 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)C(C)(C)NC(=O)NCC)C1 1220465909 XRQINIVMUCTNKB-NEPJUHHUSA-N 312.414 -0.179 30 20 DBED C#CCOCCC(=O)N1C[C@H]2CCN(Cc3nc(O)n[nH]3)C[C@H]21 1221544935 OASOSNHTFFYCRI-VXGBXAGGSA-N 319.365 -0.417 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)c2ccnn2C)CC1 1222557030 NFZNAYAVAUHZLQ-UHFFFAOYSA-N 317.393 -0.389 30 20 DBED C[C@H](C#N)C(=O)NC1CCN(C[C@@H](O)Cn2cccn2)CC1 1226647628 CIPRENSDKKNMDY-TZMCWYRMSA-N 305.382 -0.016 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCC(NC(=O)CC(=O)NCC)CC1 1227007273 ZPPHBBZDJPFOMA-GFCCVEGCSA-N 324.425 -0.216 30 20 DBED C#CCO[C@@H](C)C(=O)NC1CCN(CCS(C)(=O)=O)CC1 1227342094 HYRJJQMRYFQXOO-LBPRGKRZSA-N 316.423 -0.350 30 20 DBED C#CCO[C@@H](C)C(=O)NC1CCN(CCn2cncn2)CC1 1227342325 MPGDFCMNDVPMAY-ZDUSSCGKSA-N 305.382 -0.103 30 20 DBED C#CCCN[C@@H]1CCCC[C@H]1NC(=O)CN1CC(=O)N(C)C1=O 1229667615 ZGQOXLGSYZAADQ-CHWSQXEVSA-N 320.393 -0.079 30 20 DBED CN1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NCC#N)C1 1230138235 LIJFRKDJEILIKL-MGPQQGTHSA-N 321.425 -0.405 30 20 DBED C#CCOCCC(=O)NCC[C@H]1CN(CC)CCS1(=O)=O 1230461691 CFOMLWQFGQCCQK-ZDUSSCGKSA-N 316.423 -0.349 30 20 DBED C#CCN(CCCNC(=O)CNC(=O)NC)Cc1cccnc1 1230771462 JRGJAOIJIZOGSC-UHFFFAOYSA-N 317.393 -0.048 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C[C@H]1CCN1CC(=O)NC(=O)NC 1234264419 AOAXEHHVKFAIDU-VXGBXAGGSA-N 324.381 -0.987 30 20 DBED CCC(=O)N[C@H](C)C(=O)N(C)C[C@H]1CCN1CC(=O)NCC#N 1234489702 MOJDMJZFFMBENA-VXGBXAGGSA-N 323.397 -0.926 30 20 DBED N#CCNC(=O)COC(=O)c1cn(Cc2ccccn2)nn1 1318956142 BDWGSKAWDXZZKU-UHFFFAOYSA-N 300.278 -0.482 30 20 DBED C#CCC[C@@H](O)CNC(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1 1321649341 YZNACNICLAHHBD-ZWNOBZJWSA-N 323.374 -0.393 30 20 DBED C#CCOCCNC(=O)C(=O)N(CC)[C@@H](C)CS(C)(=O)=O 1326803923 MHYHVQYPLYAJQG-NSHDSACASA-N 318.395 -0.966 30 20 DBED CCOC(=O)CCN(C)C(=O)C(=O)Nc1cnn(CC#N)c1 1328105584 BUDNUNSBUQDHER-UHFFFAOYSA-N 307.310 -0.243 30 20 DBED CN(CCN1CCOCC1)C(=O)C(=O)N1CCC[C@](C)(C#N)C1 1328380510 CVJOOWKZWWHJFT-MRXNPFEDSA-N 322.409 -0.071 30 20 DBED CCc1onc(C)c1NC(=O)C(=O)NCCn1cnc(C#N)n1 1329184095 UXFZSEQMXZMNQZ-UHFFFAOYSA-N 317.309 -0.237 30 20 DBED C#CCN(CC1CC1)C(=O)c1nc(N)nc(N2CCOCC2)n1 1332595981 MEOQOKAJUPVEAB-UHFFFAOYSA-N 316.365 -0.224 30 20 DBED C=CCN(C)C(=O)C(=O)N1CCN(C(=O)c2cccn2C)CC1 1333497364 RBLBKPKBFSZDQL-UHFFFAOYSA-N 318.377 -0.046 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CCC(C#N)CC2)nn1 1345710977 OSIWBZTWGFYNIP-UHFFFAOYSA-N 302.338 -0.158 30 20 DBED C[C@@H](C#N)C(=O)NCC1CN(C(=O)[C@@H]2CCCCN2C(N)=O)C1 1374898641 KITRTEVOYZQOEB-JQWIXIFHSA-N 321.381 -0.346 30 20 DBED C[C@@H](CNC(=O)Cn1cc(C2CC2)nn1)NC(=O)[C@@H](C)C#N 1389481084 CWCSBWXEAINTKM-UWVGGRQHSA-N 304.354 -0.064 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)c2cccn2C)C1 1390419070 PDNNEHQIYOULJO-NHYWBVRUSA-N 304.350 -0.122 30 20 DBED CC(C)[C@@H](CNC(=O)c1ccc(=O)n(C)n1)NC(=O)[C@H](C)C#N 1399625708 NUWSNQPTLFJUBK-ZYHUDNBSSA-N 319.365 -0.189 30 20 DBED C[C@@H](C#N)C(=O)N(C)C[C@@H]1CCN(C(=O)c2cn(C)nn2)C1 1408992402 KPSFREVJOKMKEV-QWRGUYRKSA-N 304.354 -0.105 30 20 DBED Cc1cc(C(=O)NC[C@]2(O)CCN(C(=O)[C@@H](C)C#N)C2)n(C)n1 1411146476 KYOYWTIYEBKXCZ-ZUZCIYMTSA-N 319.365 -0.419 30 20 DBED Cc1cn2nnc(C(=O)N3CC[C@](O)(CC#N)C3)c2c(O)n1 1412279445 ZRTMYCLJTMWYPD-CYBMUJFWSA-N 302.294 -0.371 30 20 DBED N#Cc1c[nH]c(C(=O)N2CCS(=O)(=O)[C@@H]3COCC[C@@H]32)c1 1417923207 PFBAZANVUADMAE-NWDGAFQWSA-N 309.347 -0.086 30 20 DBED C[C@@H](C#N)C(=O)NC1CN(C[C@H](O)COC2CCOCC2)C1 1421026699 UJRSJMHGWQXBGV-AAEUAGOBSA-N 311.382 -0.497 30 20 DBED C=C(Cl)CNC[C@@H](O)CNC(=O)c1cc(C(N)=O)ccn1 1422410821 ZOPFQKCDSBEPNL-SNVBAGLBSA-N 312.757 -0.387 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]1CN(C)C(=O)CCn1cncn1 1426730098 CNPTXKLYAWSHLC-RYUDHWBXSA-N 304.354 -0.113 30 20 DBED C[C@H](C#N)C(=O)NC1CN(C(=O)[C@@H]2CCc3cncn3C2)C1 1430286828 DCMUJBRHDHEQKZ-GHMZBOCLSA-N 301.350 -0.068 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)C[C@@H]2CCCC(=O)N2)CC1 1432249874 IACBDUDJWXXRHT-MNOVXSKESA-N 306.366 -0.030 30 20 DBED CC(=O)N[C@@H](C(=O)NCC1CN(C(=O)[C@H](C)C#N)C1)C(C)C 1456541629 ADIDXMBPKLCZET-ZWNOBZJWSA-N 308.382 -0.119 30 20 DBED C[C@H](C#N)C(=O)N(C)CCN[C@@H]1CCN(c2cnn(C)c2)C1=O 1493500918 QQCKVHWPBGETPP-DGCLKSJQSA-N 318.381 -0.267 30 20 DBED Cc1nnc(CC(=O)N(C)C[C@H](O)CNC(=O)[C@@H](C)C#N)o1 1511532293 MBYVWFNXSDJUAZ-WCBMZHEXSA-N 309.326 -0.984 30 20 DBED COCCN(CCNC(=O)c1cncnc1)C(=O)[C@H](C)C#N 1511845048 BIUFXUNRKSBRTB-LLVKDONJSA-N 305.338 -0.159 30 20 DBED C=CCn1c(N2CCCNC(=O)C2)nnc1[C@@](C)(O)COC 1520483423 HMGZABHKFQXAET-AWEZNQCLSA-N 309.370 -0.356 30 20 DBED N#Cc1ncc(NCCN2CCC(O)CC2)nc1-c1nn[nH]n1 1570918687 JAIIPVYSSVIXSB-UHFFFAOYSA-N 315.341 -0.603 30 20 DBED C#Cc1ccc(C(=O)N(C)C[C@H](C)NC(=O)CNC(=O)O)nc1 1573312621 XQCBQLHRSRYUOQ-JTQLQIEISA-N 318.333 -0.093 30 20 DBED C#Cc1cncc(C(=O)NC[C@H](C)CNC(=O)CNC(=O)O)c1 1573313451 JDNQUZHSMJNLAF-SNVBAGLBSA-N 318.333 -0.187 30 20 DBED C[C@H](C(=O)NCc1ccnc(C#N)c1)n1cnc(-c2nn[nH]n2)n1 1573728393 DWROBWLFXQSZRL-MRVPVSSYSA-N 324.308 -0.398 30 20 DBED CC(C)(C)[C@H](NC(=O)Cn1cc(C#N)c(O)nc1=O)C(=O)O 1573807478 KRBFKBPFRUQJLN-SECBINFHSA-N 308.294 -0.564 30 20 DBED C=CCC(C)(C)C(=O)NC1CN(CC(=O)NCc2cnn[nH]2)C1 1575078751 PKOJFZXLJAJHCK-UHFFFAOYSA-N 320.397 -0.176 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CC[C@@H](C(=O)O)C2)C1=O 1588464252 KJXRBQSPDZEYKJ-MNOVXSKESA-N 323.349 -0.835 30 20 DBED C[C@H](C(=O)N[C@@H](Cc1ccncc1)C(=O)O)n1cnc(C#N)n1 1588552645 YATMDVIVTLWYKE-KOLCDFICSA-N 314.305 -0.082 30 20 DBED C[C@@H]1CCN(C(=O)C(=O)N2CCO[C@@](C)(C#N)C2)C[C@H]1C(=O)O 1589332291 GLVZUMFDJFIOEX-HFAKWTLXSA-N 323.349 -0.303 30 20 DBED COC(=O)CN(CC#N)C[C@@H](O)c1cccc(-c2nn[nH]n2)c1 1591267219 WFNCIYNSHWTBLN-GFCCVEGCSA-N 316.321 -0.101 30 20 DBED N#CCN1CCC(Nc2cnc(-c3nn[nH]n3)c(C#N)n2)CC1 1592678202 RQXCYNRPLUARNK-UHFFFAOYSA-N 310.325 -0.072 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)NC2CCC(C(=O)O)CC2)CCO1 1594605803 KBSJJACJATWPQP-ILDUYXDCSA-N 309.322 -0.503 30 20 DBED N#Cc1ccc(O[C@@H]2CCN(CC(=O)NCCC(=O)O)C2)nc1 1601109567 WMOBENRQWXVPAO-GFCCVEGCSA-N 318.333 -0.003 30 20 DBED N#Cc1ncn(CC(=O)N2CC[C@@H](NC(=O)NC3CC3)C2)n1 1645677992 KUGYDHIESZBLET-SNVBAGLBSA-N 303.326 -0.788 30 20 DBED Cc1cnn(C)c1S(=O)(=O)NC(=O)[C@H](C)n1cnc(C#N)n1 1647205817 YHBXTYLMIWYUQP-QMMMGPOBSA-N 323.338 -0.742 30 20 DBED CC(=O)N[C@@H]1CCCN(C(=O)CN2CC[C@@](O)(CC#N)C2)C1 1649846915 KBYJYRXLFIVVDN-HIFRSBDPSA-N 308.382 -0.536 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H]1CCN(CCNC(=O)C2CC2)C1 1690090690 SLVUWDQUNWQMJU-OCCSQVGLSA-N 307.394 -0.259 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@H](NC(=O)c2c(C)ccn2C)C1 1752628794 YJQDCRAJYDDYHK-JOCQHMNTSA-N 302.378 -0.067 30 20 DBED C=CCNC(=O)[C@@H](C)N(CC)CCNC(=O)[C@@H]1CCNC1=O 1753089863 OKSDXTCLZIIGFF-VXGBXAGGSA-N 310.398 -0.749 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC(NC(=O)Cc2n[nH]c(C)n2)C1 1753376192 KCCNOYNQAIKWDK-SECBINFHSA-N 306.370 -0.853 30 20 DBED C#CCN1CC[C@](O)(CNC(=O)c2cc(O)nc(C3CC3)n2)C1 1754755687 XODZOXMCWVSYSB-INIZCTEOSA-N 316.361 -0.141 30 20 DBED C#CCNC(=O)CN(C)[C@@H](C)CNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 1755302654 FAJNEMWROLEWHH-YNEHKIRRSA-N 317.393 -0.301 30 20 DBED CC(C)(C(=O)NC1(CCO)CN(CC#N)C1)N1CCOCC1 1755336623 AZPFTYDCCAZCEQ-UHFFFAOYSA-N 310.398 -0.826 30 20 DBED C=CCNC(=O)[C@H](C)NC[C@H](O)CN(C)C(=O)c1ccncn1 1755791809 OOPZGLYUJCQMNS-RYUDHWBXSA-N 321.381 -0.810 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C[C@H](O)CN(C)Cc1nncn1C 1755800425 IBAANITUQOCXHL-QWHCGFSZSA-N 323.397 -0.896 30 20 DBED CC(C)C#CC(=O)N(C)C[C@H](O)CN(C)C(=O)Cc1cnc[nH]1 1756686115 PPXJSUNGWYUCIT-AWEZNQCLSA-N 320.393 -0.111 30 20 DBED CC(=O)N1CC(C(=O)N2CC[C@H]2CN(C)C(=O)C#CC2CC2)C1 1757289934 MOHSRMOMZMQTDI-HNNXBMFYSA-N 317.389 -0.063 30 20 DBED CC(C)[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC#N)C2 1793071334 OZYXVKJVIGPFRJ-XCCSTKFXSA-N 309.366 -0.493 30 20 DBED CN(C)CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C#CC(=O)O)C2 1795580536 KJYFJIVANMWBRW-ZSBIGDGJSA-N 307.350 -0.726 30 20 DBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1839806275 IADYKIVOIKHRJT-QGZVFWFLSA-N 316.357 -0.511 30 20 DBED C=CCC(=O)N1CCCC12CN(C(=O)C[C@H]1NC(=O)NC1=O)C2 1846375960 QTHUNHRRFJVUPF-SNVBAGLBSA-N 320.349 -0.636 30 20 DBED CC(C)[C@H]1CN(C)CCN1c1c(C#N)c(=O)n(C)c(=O)n1C 78022672 PWNZDYQYQSEDOK-GFCCVEGCSA-N 305.382 -0.268 30 20 DBED CCCN(CC#N)C(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1 87161047 YTPFNWBEUVKAOL-SNVBAGLBSA-N 313.383 -0.151 30 20 DBED CNS(=O)(=O)[C@H]1CCN([C@H](C(N)=O)c2ccc(C#N)cc2)C1 155830669 UHNNQYBPFUNPIQ-STQMWFEESA-N 322.390 -0.292 30 20 DBED C[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc(C#N)nc1 218980418 FQJYLUXTIVPECD-VIFPVBQESA-N 315.376 -0.239 30 20 DBED CCNS(=O)(=O)CCNC(=O)c1cccc(C#CCO)c1 231025503 TUEJNKGVVWSQQU-UHFFFAOYSA-N 310.375 -0.301 30 20 DBED C#Cc1cccc(NC(=O)C(=O)NCC(=O)N2CCOCC2)c1 272061242 NNWXMTQCZIZUCU-UHFFFAOYSA-N 315.329 -0.419 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)CCS(=O)(=O)N(C)C)C1=O 281798553 STSXPRRRYAXDJJ-LLVKDONJSA-N 317.411 -0.487 30 20 DBED N#Cc1ccc(S(=O)(=O)NCCCN2CCNC(=O)C2)o1 287960222 XFMLTMYDASKBIE-UHFFFAOYSA-N 312.351 -0.749 30 20 DBED CC#CCN(C)C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C 294504363 KBHWIANTUSJZMB-UHFFFAOYSA-N 300.318 -0.273 30 20 DBED CCn1cc(C#N)c(=O)n(CC(=O)Nc2nccs2)c1=O 298604302 OMRRYXZLZUMIFU-UHFFFAOYSA-N 305.319 -0.003 30 20 DBED CN1CC[C@H](/N=C(/O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)C1=O 329605287 HIQIUVRUTLVLDK-JGEDTMQMSA-N 321.333 -0.664 30 20 DBED COC[C@H](C)/N=C(/O)NC(=O)CN1CCNC(=O)C1(C)C 330643733 DKEIBXBFDQJLBL-VIFPVBQESA-N 300.359 -0.738 30 20 DBED COC(=O)c1cn(CC/N=C(/O)N2CCC(CO)CC2)nn1 330753831 DREOUMYWYKEXMU-UHFFFAOYSA-N 311.342 -0.317 30 20 DBED C[C@@H](C(=O)N(C)CCC#N)N1CCC[C@@]2(C1)NC(=O)NC2=O 331684204 RRZXKXJNNSNEOA-HZMBPMFUSA-N 307.354 -0.579 30 20 DBED CN(C[C@@H](O)C(F)(F)F)S(=O)(=O)N1CCO[C@@H](C#N)C1 336898070 UOSDEMJFWJXUFH-JGVFFNPUSA-N 317.289 -0.689 30 20 DBED CCOC(=O)CN(CCOC)S(=O)(=O)N(C)C[C@H](C)C#N 336927378 WNQYFAQDABDEJV-LLVKDONJSA-N 321.399 -0.166 30 20 DBED COC(=O)[C@@H](CC(C)C)NS(=O)(=O)N1CCO[C@H](C#N)C1 336928101 YQESDQVKRDMADB-GHMZBOCLSA-N 319.383 -0.367 30 20 DBED CCOC(=O)[C@H](C)[C@H](C)NS(=O)(=O)N1CCO[C@@H](C#N)C1 336950592 SZUXXAYSHMOWRV-VWYCJHECSA-N 319.383 -0.367 30 20 DBED CCOC[C@@H]1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)C1 337063706 IXJQPYDVZQZUMR-VXGBXAGGSA-N 303.384 -0.186 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCS(=O)(=O)C[C@H]1C 337081425 YKLFOWKBJHPMGI-GHMZBOCLSA-N 323.440 -0.168 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)NC[C@@H]1CN2CCN1CC2 337782268 UOCOAKMASRKZCQ-NWDGAFQWSA-N 301.416 -0.945 30 20 DBED C[C@H](C(=O)N(CCC#N)CCN1CCOCC1)N1CCOCC1 339702478 RLIJIVPNGGJPED-OAHLLOKOSA-N 324.425 -0.218 30 20 DBED CC[C@@H]1CN(C(=O)C(=O)Nc2cc(C)n(CCC#N)n2)C[C@@H]1O 340752082 YUDXEJZVHZQBLQ-NEPJUHHUSA-N 319.365 0.273 30 20 DBED C[C@@H]1CN(C(=O)C(=O)Nc2ccn(CCC#N)n2)C[C@@H](C)N1C 343452621 FMGCYERBAKWWGU-VXGBXAGGSA-N 318.381 0.286 30 20 DBED CCN(CC#N)S(=O)(=O)c1cnc2c(c1)c(O)nc(=O)n2C 343655380 CSNLUYIWYKVLGK-UHFFFAOYSA-N 323.334 -0.432 30 20 DBED COC(=O)CCN1CC[C@H](NC(=O)c2cc(C#N)cn2C)C1=O 346822876 JJZCMYNSRBDQPC-NSHDSACASA-N 318.333 -0.209 30 20 DBED C=CCC[C@H](O)CN[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 351233058 YWMPZKVKGWMTLN-MELADBBJSA-N 318.439 -0.599 30 20 DBED C=CCNC(=O)[C@H](C)N1CC(C(=O)NC(CC)(CC)C(N)=O)C1 353206642 RZFURLCRJYTLGL-NSHDSACASA-N 324.425 -0.231 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(C)C2(C#N)CCC2)C1=O 354881081 DTVQSKLZSCALTK-UHFFFAOYSA-N 304.306 -0.132 30 20 DBED CN1CCC(N(C)CCN(C)C(=O)NCC(=O)NCC#N)CC1 358318771 WZGJBWNPXDQDIQ-UHFFFAOYSA-N 324.429 -0.706 30 20 DBED COc1cc(C#N)ccc1S(=O)(=O)NCCOCC(N)=O 361958618 GPDJEWKQILLKMA-UHFFFAOYSA-N 313.335 -0.653 30 20 DBED C=CCNC(=O)CN1CCC[C@@H](N2CCCS2(=O)=O)C1 364864193 BQINPJOOJICTAE-GFCCVEGCSA-N 301.412 -0.212 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N[C@H]1CCCS(=O)(=O)C1 407978089 WSAOBWLVKKRBMF-UWVGGRQHSA-N 309.413 -0.368 30 20 DBED COC(=O)C[C@H](C)N1CCN(S(=O)(=O)[C@@H](C)C#N)CC1 416420604 WLSNQIJXHQNLMX-QWRGUYRKSA-N 303.384 -0.203 30 20 DBED C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1C[C@H]2CCNC[C@H]2C1 424548882 QKIMCQAJIYVMRV-CRWXNKLISA-N 307.394 -0.238 30 20 DBED CS(=O)(=O)N1CC(CN[C@@H](C(N)=O)c2ccc(C#N)cc2)C1 488188654 PKQMRGQXRKACEC-CYBMUJFWSA-N 322.390 -0.434 30 20 DBED C=CCCCS(=O)(=O)N1CCNC(=O)[C@@H]1CC(=O)OC 489045582 QYKGLWRDOYXKCW-JTQLQIEISA-N 304.368 -0.354 30 20 DBED C#CCNC(=O)c1ccc(N2CC[C@@H](S(N)(=O)=O)C2)nc1 490876905 VRFVWQKTWOPEPK-LLVKDONJSA-N 308.363 -0.688 30 20 DBED C#CCNC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(C3CC3)C2)CC1 491642284 AWRQIZOESBFOSY-CYBMUJFWSA-N 317.389 -0.015 30 20 DBED C#CCN1CCN(S(=O)(=O)c2cncc(C(=O)OC)c2)CC1 491812210 GSSMFKSHWQXZPV-UHFFFAOYSA-N 323.374 -0.192 30 20 DBED CN1CCC[C@H](CN(C)S(=O)(=O)N2CCO[C@@H](C#N)C2)C1 554533808 QCGJRMSQNYKEOZ-STQMWFEESA-N 316.427 -0.271 30 20 DBED N#Cc1ccncc1N1CCN(C(=O)Cn2cccnc2=O)CC1 557746830 GGCDHUUDBJILPZ-UHFFFAOYSA-N 324.344 -0.141 30 20 DBED COCCN1CN(Cc2cnc3c(C#N)cnn3c2)CC1=O 567049168 BMBCVBBROONCTO-UHFFFAOYSA-N 300.322 -0.151 30 20 DBED CN(C(=O)CNS(=O)(=O)c1ccc(C#N)cc1)[C@H]1CCNC1 582786810 IPVYJTNSJZOWDY-LBPRGKRZSA-N 322.390 -0.343 30 20 DBED N#C[C@H]1CN(S(=O)(=O)N[C@H](CO)CC2CCC2)CCO1 584845363 UJQPTYKMFZDVSH-RYUDHWBXSA-N 303.384 -0.404 30 20 DBED COC(=O)CCN(C)S(=O)(=O)N1CC[C@@](O)(CC#N)C1 592078008 MTMUQHDRTAGSSR-NSHDSACASA-N 305.356 -0.923 30 20 DBED CC(C)O[C@]1(CS(=O)(=O)NCC(=O)NCC#N)CCOC1 595337744 KGRBEYDVTAHPFT-GFCCVEGCSA-N 319.383 -0.870 30 20 DBED CCOC(=O)C[C@@H](NC(=O)NCC(=O)NCC#N)C(F)(F)F 596999563 BAJLIBHOAYJZIH-SSDOTTSWSA-N 324.259 -0.191 30 20 DBED CN1CC[C@@H]2CN(c3c(C#N)c(=O)n(C)c(=O)n3C)C[C@@H]2C1 601184386 MAEWDRWQCGWPPR-MNOVXSKESA-N 303.366 -0.656 30 20 DBED N#CCCN1CCN(C(=O)C(=O)N[C@H]2CCN(C3CC3)C2)CC1 602238122 GVFDKPIWBSCERH-ZDUSSCGKSA-N 319.409 -0.603 30 20 DBED COC[C@H](NC(=O)C(=O)N1CCN(CCC#N)CC1)C1CC1 602252949 XQWWLJSVJUPWJN-ZDUSSCGKSA-N 308.382 -0.415 30 20 DBED N#Cc1ccc(S(=O)(=O)N2[C@H]3CC[C@H]2CC(=O)NC3)cn1 610657626 GHSZKBINFVENOQ-QWRGUYRKSA-N 306.347 -0.005 30 20 DBED N#CCCn1ccc(NC(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)n1 611519266 JVXIRBUTTQNOCY-VIFPVBQESA-N 317.309 -0.435 30 20 DBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@H]1CCN(C)C1=O 614009474 ATAJQACMIQDSLC-SECBINFHSA-N 304.354 -0.267 30 20 DBED C=C[C@@](C)(O)C(=O)N1CCC(N2CCCS2(=O)=O)CC1 616253186 ABAWYTJDLCQOHO-CYBMUJFWSA-N 302.396 -0.050 30 20 DBED C=CCCNC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 617614230 RXWZRMORXMBOCZ-MNOVXSKESA-N 300.380 -0.286 30 20 DBED C=CCN(C(=O)[C@@H]1CC[C@@H](C(=O)O)O1)[C@H]1CCS(=O)(=O)C1 682523903 ILXUQYNABPXGJI-DCAQKATOSA-N 317.363 -0.180 30 20 DBED CCOC(=O)C1=C(C(C)=O)[C@H](c2cn(C)nn2)NC(=S)N1 741650979 NUKZWIGBTYZHOF-VIFPVBQESA-N 309.351 -0.260 30 20 DBED C#CCOCCNC(=O)N1CCC2(CC1)NC(=O)N(C)C2=O 753384462 WZPDUVGEFZUZSQ-UHFFFAOYSA-N 308.338 -0.638 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ncc(C#N)s2)C1=O 759134079 QGJURRMALBHWFK-UHFFFAOYSA-N 319.302 -0.070 30 20 DBED C#CCOc1cccc(NC(=O)C(=O)N(C)[C@H]2CCNC2=O)c1 785294460 WAZHHWWWBPMOEB-ZDUSSCGKSA-N 315.329 -0.016 30 20 DBED CC(=O)N1CCN(C(=O)COC(=O)c2c[nH]c(C#N)c2)CC1 786904292 FQIUBVGEOOJAGF-UHFFFAOYSA-N 304.306 -0.266 30 20 DBED O=C1NC(=O)C(=NNc2nc3cc(F)c(F)cc3[nH]2)C(=O)N1 814217837 OZUWCMIGOAHHIW-UHFFFAOYSA-N 308.204 -0.025 30 20 DBED CC(C)C#CC(=O)N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 825089443 CSCWFNAZVQKQIP-STQMWFEESA-N 314.407 -0.740 30 20 DBED CN1CCN(S(=O)(=O)c2cccc(F)c2C#N)[C@H](CO)C1 867538172 GMFIPTQWZDYEGM-JTQLQIEISA-N 313.354 -0.006 30 20 DBED CCCn1cc(C=NN2C(=O)[C@@H]3[C@H]4C=C[C@@H](O4)[C@@H]3C2=O)nn1 872428224 VNJFAOSKPRTHKK-KKOKHZNYSA-N 301.306 -0.040 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N1C[C@@H](C)O[C@@H](CO)C1 875596927 WPFHHFDDWBFPQG-JHJVBQTASA-N 312.366 -0.861 30 20 DBED C=CCNC(=O)CNC(=O)NC[C@@H]1CC2(CCNCC2)CO1 892767374 BGRJEVTZWZUYTF-LBPRGKRZSA-N 310.398 -0.254 30 20 DBED Cn1ccc(N2CCC[C@@H](NC(=O)NCC#CCO)C2=O)n1 923778791 DHJLXBINSIKBOA-LLVKDONJSA-N 305.338 -0.790 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](NC(=O)c2ccc3nn[nH]c3n2)C1 941067439 MUSVEQFTLFUSHB-DTWKUNHWSA-N 313.321 -0.157 30 20 DBED Cn1ncc(C(=O)NC[C@@H]2CCN2C(=O)C#CC2CC2)c1N 949522001 OXNFQEYUWBGWMK-NSHDSACASA-N 301.350 -0.254 30 20 DBED C=CCN1C[C@@H](O)[C@@H](CNC(=O)c2cccc(C(=O)NC)n2)C1 958629808 DIQHZDMQAWZYTP-SMDDNHRTSA-N 318.377 -0.350 30 20 DBED N#CCN1C[C@H]2C(NC(=O)[C@H]3CCc4nnc(O)n4C3)[C@@H]2C1 960659349 UTPYDONLNCBTRL-IVZWLZJFSA-N 302.338 -0.884 30 20 DBED Cc1cnccc1CC(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1O 963824488 MJFDVTQHJYKROC-GDLCADMTSA-N 316.361 -0.220 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CC[C@@H](CNC(=O)c3cnn[nH]3)O2)C1 965560669 IHZPKUMOLHNWNL-ZJUUUORDSA-N 318.337 -0.546 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@H](NC(=O)C[C@H]2CCC(=O)N2)C1 968779101 NDUITKHRSXGUTH-UTUOFQBUSA-N 323.393 -0.445 30 20 DBED C=CCN1CC([C@H](C)NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 970512778 KEVRZYYQEAFKNL-JTQLQIEISA-N 306.366 -0.680 30 20 DBED N#CCN1CCO[C@]2(CCN(C(=O)C[C@@H]3CCNC3=O)C2)C1 972406794 COEOVPUYBXMWEF-SWLSCSKDSA-N 306.366 -0.661 30 20 DBED CN(CC#N)[C@H]1CCN(C(=O)[C@H]2CCN(C)S2(=O)=O)C1 972526405 FRLKXZXLWIVYES-WDEREUQCSA-N 300.384 -0.923 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)Cc3nc[nH]n3)C2)nc1 973485271 QHYFBHNGWZLYLX-HAQNSBGRSA-N 324.344 -0.199 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]2CCN(C(=O)c3nnn(C)n3)C[C@@H]21 975885534 GQKQJWADSBKEPB-VWYCJHECSA-N 317.353 -0.567 30 20 DBED C=CCCn1cc(C(=O)NC[C@H]2[C@@H]3CN(CCO)C[C@H]23)nn1 978811353 BRIJBJCHIGPGSL-XYYAHUGASA-N 305.382 -0.246 30 20 DBED C=CCn1cc(C(=O)N2CC[C@@H](NC(=O)C3CC3)[C@H](O)C2)nn1 991162364 LYKAFNYBRVDITG-DGCLKSJQSA-N 319.365 -0.434 30 20 DBED O=C(N[C@@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1O)C1CCOCC1 991177827 ABPPJLNKVDROME-CABCVRRESA-N 320.389 -0.096 30 20 DBED C=CCn1cc(C(=O)NC2CN(C(=O)c3csnn3)C2)nn1 991689546 SXOHUAJVIZXIQN-UHFFFAOYSA-N 319.350 -0.430 30 20 DBED C=CCn1cc(C(=O)N2CC(NC(=O)[C@H]3CCN(C)C3)C2)nn1 991723932 UVLMWRNPLTWBRG-NSHDSACASA-N 318.381 -0.644 30 20 DBED C#CCN1CCC(NC(=O)[C@H]2CCc3nnc(O)n3C2)CC1 1003187049 ZMFKTJVZXXATGU-NSHDSACASA-N 303.366 -0.240 30 20 DBED Cn1nnc(C(=O)N2C[C@H]3CC[C@H]2CN3C(=O)C#CC2CC2)n1 1007313595 ZJVQIVWBRUHYMG-NEPJUHHUSA-N 314.349 -0.561 30 20 DBED C=CCn1cccc1C(=O)N1C[C@H]2CC[C@H]1CN2C(=O)C(N)=O 1007379051 NCAXVNXHRSRAOP-NWDGAFQWSA-N 316.361 -0.025 30 20 DBED O=C1CC[C@@H](C(=O)NCC2[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]23)N1 1009317873 ZHRQIOZXOJGFBG-IHRRRGAJSA-N 315.373 -0.501 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C(=O)c2ccc3nnnn3c2)CC1 1011509545 PQTMUIYFDTYBJQ-SNVBAGLBSA-N 313.321 -0.432 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@]2(NC(=O)c3nnn(C)n3)CCC[C@@H]12 1014390176 AMHMAXSIPHUOIY-GPCCPHFNSA-N 317.353 -0.377 30 20 DBED C#CCN1CCC2(CC1)C[C@H]2NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 1016836384 WULBSTMNPVEMEA-YNEHKIRRSA-N 305.378 -0.377 30 20 DBED C[C@H](C#N)C(=O)N1CCC2(C1)CN(C(=O)[C@@H]1CCNC(=O)C1)C2 1018936689 VCRUDUUAXUKYBD-VXGBXAGGSA-N 318.377 -0.267 30 20 DBED C=CCN1CC[C@@H]2[C@@H](CCCN2C(=O)CN2CCNC(=O)C2)C1 1021653218 VPKKWEZVDVHCHG-LSDHHAIUSA-N 320.437 -0.083 30 20 DBED C=C(Cl)CN[C@H]1C[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)C1 1023064908 UQUALKYLDXYEQZ-AOOOYVTPSA-N 314.773 -0.130 30 20 DBED Cc1ncncc1C(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1O 1023122151 HMTSTHUKZPZILU-XXILOJSOSA-N 303.322 -0.754 30 20 DBED C=C1CC(C)(C(=O)N2C[C@@H](O)[C@H](NC(=O)Cc3cc[nH]n3)C2)C1 1023262778 XXWHQGBHQBWKHN-CHWSQXEVSA-N 318.377 -0.004 30 20 DBED C[C@@H]1C[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 1023437050 INXWCTMWJQCHPK-PIEOMLNGSA-N 302.334 -0.156 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)C23CCN(CC2)C3)C1 1024787263 HAHRZSPUWNMQEZ-CHWSQXEVSA-N 321.421 -0.018 30 20 DBED C=CCN1CC[C@H](NC[C@@H]2CCN(C(=O)c3nc[nH]n3)C2)C1=O 1027128515 XAVINFCULJFRQI-RYUDHWBXSA-N 318.381 -0.357 30 20 DBED Cn1nnc(CN2CC[C@@H](CNC(=O)c3ccc(C#N)[nH]3)C2)n1 1028490180 IRQQYVWFTRTUNF-JTQLQIEISA-N 314.353 -0.338 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN(Cc2cn(C)nn2)C1 1030463941 BDWBKLLLVCERKC-AWEZNQCLSA-N 302.382 -0.787 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN([C@H]2CCC(=O)NC2=O)C1 1030977661 UEVVEPCVVFMHPM-WOPDTQHZSA-N 307.350 -0.817 30 20 DBED C#CCN1CC(CNC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 1031668279 BSWUVBMBEPMOLK-GFCCVEGCSA-N 301.350 -0.556 30 20 DBED N#Cc1ccc(C(=O)NC[C@H]2CN(Cc3cnon3)CCO2)[nH]1 1035331641 NFWREWKMKMSSFR-LBPRGKRZSA-N 316.321 -0.100 30 20 DBED C=CCN1CCO[C@H](CNC(=O)[C@H]2CCS(=O)(=O)C2)C1 1035437794 IOSFHZSYQOVCDQ-NWDGAFQWSA-N 302.396 -0.576 30 20 DBED CC#CCN1CCO[C@H](CNC(=O)[C@H]2CN(C(C)C)CCO2)C1 1035483103 LSHKFSVPNVDPBV-HZPDHXFCSA-N 323.437 -0.064 30 20 DBED C#CCCN1CCO[C@H](CNC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 1035516164 PCVCEKJVFOLNBG-HZSPNIEDSA-N 307.394 -0.449 30 20 DBED CC#CCN1CCO[C@H](CNC(=O)c2cccn(C)c2=O)C1 1035585091 DWJVWFWVMZPKQV-CYBMUJFWSA-N 303.362 -0.161 30 20 DBED C#CCN1CC2(CCN(C(=O)CN3CC(=O)N(C)C3=O)CC2)C1 1035835294 VWYODBRMQCBQCS-UHFFFAOYSA-N 318.377 -0.562 30 20 DBED C=CCCN1CC[C@@H]1CNC(=O)c1cn(CC(=O)N(C)C)nn1 1039052814 NYEICQJRIMVJTK-GFCCVEGCSA-N 320.397 -0.254 30 20 DBED O=C(C#CC1CC1)N1CC[C@@](O)(CNC(=O)[C@@]23COC[C@@H]2C3)C1 1040063446 DXCFPMAIVLJTRH-XKQJLSEDSA-N 318.373 -0.484 30 20 DBED N#CCN1CCC[C@]2(CCN(C(=O)CN3CCNC(=O)C3)C2)C1 1040329452 ULCGXWZVSKPHKG-INIZCTEOSA-N 319.409 -0.744 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)COCC(F)F)C1 1040343181 XGPFQHNQUCTVQK-RNCFNFMXSA-N 319.308 -0.493 30 20 DBED C=CCOCC(=O)N1CC[C@@](O)(CNC(=O)CCN(C)C)C1 1040795208 IADHNBYVQVGWDH-OAHLLOKOSA-N 313.398 -0.780 30 20 DBED N#Cc1cncc(N2C[C@@H](O)[C@H](NC(=O)c3cnccn3)C2)n1 1040916678 HFFSLKLNLRQOIS-VXGBXAGGSA-N 311.305 -0.882 30 20 DBED C=CCn1cc(C(=O)N2CC(O)(CNC(=O)C3CC3)C2)nn1 1041098774 DYSIPTMOERGABG-UHFFFAOYSA-N 305.338 -0.823 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(O)(CNC(=O)[C@H](C)OC)C1 1041759082 OPNKTTAXKGWLCI-GWCFXTLKSA-N 300.355 -0.962 30 20 DBED CC#CCN1CC[C@H]2CCN(C(=O)c3nnc(O)nc3O)C[C@H]21 1042135391 VBPCYBCKPANEIR-WDEREUQCSA-N 317.349 -0.158 30 20 DBED CO[C@@H]1CN(c2nccnc2C#N)C[C@H]1NC(=O)[C@H]1CCOC1 1042779699 SIQZKPZWKPNMLS-CYZMBNFOSA-N 317.349 -0.295 30 20 DBED Cc1nonc1C(=O)N1CC(O)(CNC(=O)C#CC(C)(C)C)C1 1042970646 TVAIVSYYFYUGHT-UHFFFAOYSA-N 320.349 -0.269 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)c3cnns3)C2)cn1 1043864722 XANXVVKHXONXSK-MNOVXSKESA-N 316.346 -0.216 30 20 DBED N#Cc1nccc(N2C[C@H](O)[C@H](NC(=O)[C@H]3CCCOC3)C2)n1 1043869477 QBMWFGNWFJXRNU-TUAOUCFPSA-N 317.349 -0.559 30 20 DBED C#CCN[C@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)[C@@H](C)C1 1044819579 LJHNCTDTNLFHCL-QWRGUYRKSA-N 314.349 -0.367 30 20 DBED C=CCN1CC[C@@H](NC[C@@H]2CCCN2C(=O)CC(N)=O)C1=O 1044967292 KSXQEVSKZXVJBJ-NWDGAFQWSA-N 308.382 -0.771 30 20 DBED C=C[C@@H](C)[C@@H](C)C(=O)NCC1(O)CN(C(=O)CC(=O)NC)C1 1044981451 WTPHDLSUXNHSHV-GHMZBOCLSA-N 311.382 -0.730 30 20 DBED N#Cc1ccc(N[C@H]2C[C@@H](CNC(=O)[C@@H]3CNC(=O)N3)C2)nc1 1046562362 OBRSJPWJVIZTFT-TUAOUCFPSA-N 314.349 -0.059 30 20 DBED C#CCCCCC(=O)N1CC(O)(CNC(=O)c2ccnnc2)C1 1047122630 ZSYRXTDJSFCHJA-UHFFFAOYSA-N 316.361 -0.027 30 20 DBED CC[C@H](C(N)=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C#N)[nH]2)C1 1047353877 OBHFFJIOIYTDGE-AGIUHOORSA-N 319.365 -0.733 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cnc(N(C)C)cn2)C1 1047381813 PYMMJUVWOUTPGU-STQMWFEESA-N 303.366 -0.707 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCCN(C)C2=O)C1 1047593734 TYMYSPIZHHRRMH-IHRRRGAJSA-N 309.410 -0.066 30 20 DBED C=CCO[C@@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)COCC)C1 1048147872 VNDUZSPVWDXTQR-AVGNSLFASA-N 314.382 -0.356 30 20 DBED C#CCCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CC(N)=O)C1 1048592831 KSYHLYIPOODPFA-RYUDHWBXSA-N 309.366 -0.915 30 20 DBED CNC(=O)NCC(=O)N[C@H](C)[C@@H]1CCN(C(=O)C#CC2CC2)C1 1050677900 BLKSSEAZEBBFSF-DGCLKSJQSA-N 320.393 -0.318 30 20 DBED C#CCCN1CCOC[C@@H]1CNC(=O)c1ccnc2[nH]nnc12 1051015938 HUARGLCBCCQNFG-NSHDSACASA-N 314.349 -0.193 30 20 DBED C=C(C)CN1CCN([C@@H]2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)CC1 1052086988 WHTXWOXSVMIOHX-KFWWJZLASA-N 320.437 -0.098 30 20 DBED C#Cc1ccc(C(=O)N2C[C@@H](C)[C@@H](CNC(=O)C(N)=O)C2)cn1 1053088942 CXTFOQSIIKSCTR-PWSUYJOCSA-N 314.345 -0.628 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1C 1053159907 CJSMGBAYWMIQSG-MNOVXSKESA-N 307.354 -0.168 30 20 DBED C#CCN1CC2(C1)CN(C(=O)c1ncc(OC)cn1)CCO2 1053336732 KQSUSFKNTIOUHP-UHFFFAOYSA-N 302.334 -0.355 30 20 DBED C#CCN1CC2(CC[C@@H](CNC(=O)[C@H]3CCNC(=O)C3)O2)C1 1053590351 FWSCAWQFWOMTJE-STQMWFEESA-N 305.378 -0.505 30 20 DBED C#CCCN1CC2(CC[C@@H](CNC(=O)[C@H]3COCCN3C)O2)C1 1053591678 AQDSBFMVZDHKEU-LSDHHAIUSA-N 321.421 -0.310 30 20 DBED Cn1ccc(=O)c(C(=O)NC[C@@H]2CCC3(CN(CC#N)C3)O2)c1 1053629822 CMXISLMONNNFPV-LBPRGKRZSA-N 316.361 -0.128 30 20 DBED C[C@@H]1CN(C(=O)c2cnon2)C[C@H]1CN=c1cc[nH]c(C#N)n1 1054437460 ZDQSSLLLHVZNFM-NXEZZACHSA-N 313.321 -0.027 30 20 DBED C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1NCc1nnnn1C 1054576516 VPWGAKVXAVRSHM-BXKDBHETSA-N 314.353 -0.340 30 20 DBED N#Cc1nc(=N[C@H]2C[C@H]3C[C@@H](C2)N(C(=O)CC(N)=O)C3)cc[nH]1 1054811250 IRPLZTAOOLPVRZ-DCAQKATOSA-N 314.349 -0.563 30 20 DBED C=CCOCC(=O)N1C[C@@H]2CN(C(=O)c3cn(C)nn3)C[C@@H]2C1 1055248582 TWGCPPSUUZYQAX-TXEJJXNPSA-N 319.365 -0.452 30 20 DBED C[C@H](C#N)C(=O)N[C@@]1(CO)CCCN(C(=O)c2ccn(C)n2)C1 1056097728 UWWYCNBSCZWTQT-ABAIWWIYSA-N 319.365 -0.337 30 20 DBED Cn1cncc1C(=O)NC1[C@@H]2CN(c3ccnc(C#N)n3)C[C@@H]12 1056335441 ITBLIFIBNBNCAE-NXEZZACHSA-N 309.333 -0.054 30 20 DBED N#Cc1cc(C(=O)N(CCO)CCNC(=O)[C@@H]2CCOC2)c[nH]1 1057392061 YLNADXHHUCPQPV-LLVKDONJSA-N 320.349 -0.526 30 20 DBED Cc1nnc(CC(=O)N(CCO)CCNC(=O)C#CC2CC2)o1 1057495950 YAGFQNHOZRNWRO-UHFFFAOYSA-N 320.349 -0.729 30 20 DBED C#CCO[C@H](C)C(=O)N(CCO)CCNC(=O)COCCC 1057583190 JHTAFEBZQSNQCR-CYBMUJFWSA-N 314.382 -0.612 30 20 DBED C=CCO[C@H](C)C(=O)N(CCO)CCNC(=O)c1cnc(C)[nH]1 1057921775 OXVMVPHJQULTKV-LLVKDONJSA-N 324.381 -0.140 30 20 DBED N#Cc1cncc(N2CCC(NC(=O)[C@H]3C[C@H]3C(N)=O)CC2)n1 1057944095 CJMSQRNQOYLOKQ-NEPJUHHUSA-N 314.349 -0.445 30 20 DBED CCn1nncc1C(=O)N[C@H]1CCN(c2ccnc(C#N)n2)C1 1058353477 HRQIDWWLSDSDAV-JTQLQIEISA-N 312.337 -0.032 30 20 DBED CN1CCO[C@@H](C(=O)N2CC[C@H](Nc3cnc(C#N)cn3)C2)C1 1058857232 MTJBUVGJAMPBSW-WCQYABFASA-N 316.365 -0.308 30 20 DBED C=C(C)C(C)(C)C(=O)NCCN(CCO)C(=O)Cc1nc[nH]n1 1058891974 TXNJRUDSISYEBP-UHFFFAOYSA-N 323.397 -0.113 30 20 DBED C#CCO[C@H](C)C(=O)NCC[C@@H]1CCN(C(=O)CNC(N)=O)C1 1059121110 MGZUDNMEEPPEKQ-VXGBXAGGSA-N 324.381 -0.952 30 20 DBED CC(=O)N[C@@H](C)C(=O)NC[C@@H]1COCCN1C(=O)C#CC(C)C 1061252289 FKQLIDFVSMSWNS-GXTWGEPZSA-N 323.393 -0.486 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)c1nccnc1N 1061846521 OSEAGCWEXLBKLT-UWVGGRQHSA-N 318.337 -0.824 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)c1cnc(O)n1C 1061851971 SBVRQEAUYKJXJR-ZJUUUORDSA-N 321.337 -0.757 30 20 DBED Cc1cc(C#N)nc(N(C)C[C@@H]2CCN(C(=O)C(N)=O)C2)n1 1062164957 FTHPIHGDXOERMJ-JTQLQIEISA-N 302.338 -0.573 30 20 DBED N#Cc1nccnc1N1CCO[C@H](CNC(=O)c2cnco2)C1 1063648346 ZBNUNBPAGPYZLR-SNVBAGLBSA-N 314.305 -0.029 30 20 DBED C=CCCO[C@@H](C)C(=O)N1CCO[C@H](CNC(=O)COC)C1 1064941124 FHSHAXKXFUHURC-QWHCGFSZSA-N 314.382 -0.042 30 20 DBED CCOCC(=O)NC[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCO1 1065021715 RSSRRQJTWRVYFB-LBPRGKRZSA-N 320.349 -0.120 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)[C@H](C)NC(N)=O)CCO1 1065084297 XOSUGEPWSLGYDW-RYUDHWBXSA-N 324.381 -0.810 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCO[C@@H](CNC(=O)C(F)F)C1 1065097685 XMFTWNLNSWVKMZ-TVQRCGJNSA-N 306.309 -0.078 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)CC(=O)N(C)C)CCO1 1065165421 NAOHJUOGXBGCJH-CYBMUJFWSA-N 323.393 -0.532 30 20 DBED N#Cc1cccnc1NC[C@H]1CN(C(=O)CC(N)=O)CCO1 1066606945 IWJXMJPGMWILQN-NSHDSACASA-N 303.322 -0.532 30 20 DBED Cc1nc(NCC2(O)CCN(C(=O)C(N)=O)CC2)ccc1C#N 1067485319 WYBUKNKWKYEHHE-UHFFFAOYSA-N 317.349 -0.488 30 20 DBED C=CCCC(=O)N1CC2(C1)CN(C(=O)[C@H]1CCC(=O)N1)CCO2 1068351044 JJPBCOYMLDGOHP-GFCCVEGCSA-N 321.377 -0.329 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC2(C[C@H](NC(=O)COC)CO2)C1 1068652893 UJTSPMIXCOCEGF-SMDDNHRTSA-N 312.366 -0.554 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1COC2(C1)CN(C(=O)CC1(O)CCC1)C2 1069003667 OKUZAUZNGXSOEV-NEPJUHHUSA-N 321.377 -0.063 30 20 DBED C#CCN[C@@H]1CN(C(=O)CCn2ccnc2)C[C@@H]1n1ccnn1 1070247308 NXXWXOWQIYGAFF-KGLIPLIRSA-N 313.365 -0.460 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@H]2OCC[C@H]2C)C[C@@H]1n1ccnn1 1070277195 IGMOGNZXPGVDEI-MQYQWHSLSA-N 303.366 -0.322 30 20 DBED C=C(C)CN[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1c1cn(C)cn1 1070477729 OZTOGQSFWVFXPV-WCQYABFASA-N 305.382 -0.244 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2)C[C@H]1c1cncn1C 1070630266 IYUIHWALUGQZEQ-JHJVBQTASA-N 315.377 -0.784 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)C[C@@H]4CCC(=O)N4)C[C@@]3(C1)O2 1070867318 HZYUOFXBUSUFJF-SZOQZIPDSA-N 317.389 -0.410 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1C 1071725938 FHYYUYBCFCNTQT-VXGBXAGGSA-N 314.407 -0.347 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)c2cnnn2C)C[C@@H]1C 1072007738 WFONCFVRIJFZTC-WDEREUQCSA-N 307.354 -0.406 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)[C@H]2CN(C(C)C)CCO2)C1 1073739985 AQOMDQAUGQINDK-JKSUJKDBSA-N 323.437 -0.064 30 20 DBED CCCN1C[C@@H](C(=O)NC[C@@H]2CN(CC#N)CCCO2)CC1=O 1073794481 JNAUTWURTVFJBN-UONOGXRCSA-N 322.409 -0.024 30 20 DBED C=CCCN1CCO[C@H]2CCN(C(=O)c3nnn(C)n3)C[C@@H]21 1074317000 IRQWPSVXQHMRKH-RYUDHWBXSA-N 306.370 -0.299 30 20 DBED CNC(=O)NCCC(=O)N[C@@H](C)CCNC(=O)C#CC1CC1 1076423503 MGGYFXFAHPSMOR-NSHDSACASA-N 308.382 -0.270 30 20 DBED C#CCOCCC(=O)NCC[C@H](C)NC(=O)CNC(=O)CC 1076504315 VXPAKIYMQQDDFQ-LBPRGKRZSA-N 311.382 -0.437 30 20 DBED C#CCOCCC(=O)NCC[C@H](C)NC(=O)[C@H](COC)OC 1076505413 UULOQAKEBJKECT-STQMWFEESA-N 314.382 -0.301 30 20 DBED C[C@@H](CCNC(=O)[C@@H]1CC(=O)NC(=O)N1)NC(=O)C#CC1CC1 1076541404 ZEPATLJPMSWFEC-ONGXEEELSA-N 320.349 -0.991 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)C[C@@H]2COC(=O)C2)C1 1076884327 QNRLLNSIEDASFU-HBNTYKKESA-N 302.758 -0.147 30 20 DBED C=CCCOCC(=O)NCC[C@H](C)NC(=O)[C@H]1C[C@H]1C(N)=O 1077063733 AHQOULJHSAXREL-TUAOUCFPSA-N 311.382 -0.289 30 20 DBED C#CCCCC(=O)N[C@@H](C)CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 1078456215 LQHPSGLPGYKCEU-RWMBFGLXSA-N 323.393 -0.166 30 20 DBED C=CCN[C@H]1C[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C12CCC2 1078628145 AZQOVTGFRHCKHJ-QWRGUYRKSA-N 318.381 -0.420 30 20 DBED Cn1cnn(CC(=O)N2C[C@H]3CC[C@H]2[C@H](NCC#N)C3)c1=O 1078981021 FLPYFKBKASDZFI-TUAOUCFPSA-N 304.354 -0.926 30 20 DBED CNC(=O)NCC(=O)N1CCC[C@H](N(C)C(=O)[C@H](C)C#N)CC1 1079058436 DRCFZXJRJAILNA-NEPJUHHUSA-N 323.397 -0.085 30 20 DBED C=CCCC(=O)NCCCCCN1CCN(C(=O)C(N)=O)CC1 1079158428 IAOALIPCKGRYOR-UHFFFAOYSA-N 324.425 -0.131 30 20 DBED CCN(C(=O)C#CC1CC1)C1CN(C(=O)[C@H]2CCN(C)C2=O)C1 1079742550 BHHYPFGKVNMTLM-AWEZNQCLSA-N 317.389 -0.063 30 20 DBED C#CCCN1C[C@@H](NC(=O)C2CC3(C2)NC(=O)NC3=O)[C@H](C)C1 1080600535 HMBZZLDLYDASOK-QZCIIZHISA-N 318.377 -0.566 30 20 DBED CCNC(=O)CC(=O)N1C[C@H](CNC(=O)C#CC(C)C)[C@@H](O)C1 1081463126 JPQKNPRDDVHELR-STQMWFEESA-N 323.393 -0.893 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1cnc2c(c1)nnn2C 1081954610 WAXRJSDCAAGIPF-VXGBXAGGSA-N 315.337 -0.684 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CCc2cncn2C1 1083125176 IDEABMJZLMGECY-AEGPPILISA-N 315.377 -0.119 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCCc3nccn32)C1 1083522504 KAZCAYCIBCJJIR-MCIONIFRSA-N 302.378 -0.055 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCCCN(C)C2=O)C1 1083947223 KXKKVPDCOCNHJM-MCIONIFRSA-N 307.394 -0.571 30 20 DBED C#CCOc1ncccc1C(=O)N[C@@H]1CN(CC#CC)C[C@@H]1O 1083967476 JLGGLWYKMOLYSK-CABCVRRESA-N 313.357 -0.108 30 20 DBED CC(C)c1nnnn1CC(=O)N1C[C@H]2CCN(CC#N)C[C@H]21 1084709578 ITIYBHSLWAKYCJ-VXGBXAGGSA-N 303.370 -0.147 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(CC(=O)NC)[C@@H]1C 1088631058 OVVMJLVHHNAKEP-RDBSUJKOSA-N 306.410 -0.591 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2ccc3c(n2)OCCO3)[C@@H](O)C1 1090393133 GILSLWQDZCXNOV-YPMHNXCESA-N 317.345 -0.349 30 20 DBED CCNC(=O)CC(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1O 1090406477 ABRJHMVCLFXXAU-VXGBXAGGSA-N 317.349 -0.855 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2coc(C(N)=O)c2)[C@H](O)C1 1090449175 NUFBLGGFULLIAG-VXGBXAGGSA-N 305.334 -0.433 30 20 DBED C[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1NC(=O)CS(C)(=O)=O 1090663364 YYSIYLDNUALBSN-MWLCHTKSSA-N 323.378 -0.666 30 20 DBED COC[C@H](C)C(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@@H]1O 1091088461 FVZPOJDWXZZBSU-UHTWSYAYSA-N 304.350 -0.099 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1C[C@H](CNC(=O)Cn2ncnn2)C1 1091482418 KGFQEXCULQASHL-UMSPYCQHSA-N 312.337 -0.631 30 20 DBED CN(C)CCC(=O)N[C@H]1CCN(c2nccnc2C#N)C[C@@H]1O 1092173476 LHJSCGXKVNYVHY-AAEUAGOBSA-N 318.381 -0.644 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)[C@@H]3CCNC3=O)c3nccn32)C1 1092385566 VPZFFXXYKWZCGB-MNOVXSKESA-N 314.349 -0.885 30 20 DBED Cn1ncc2cc(C(=O)NCCN=c3cc[nH]c(C#N)n3)cnc21 1093829779 ZSPQYUTZNGDBGK-UHFFFAOYSA-N 322.332 -0.106 30 20 DBED COCC(=O)N[C@@H](C)C(=O)NCCN=c1cc(C)[nH]cc1C#N 1094185825 YJJKIBNBDKEUBF-NSHDSACASA-N 319.365 -0.637 30 20 DBED CC(C)(C)n1nnc(C(=O)NCCNc2cnc(C#N)cn2)n1 1094203348 RFNLYOSLLACGIS-UHFFFAOYSA-N 315.341 -0.068 30 20 DBED C=CCCN1CC(n2cc(CNC(=O)[C@@H]3CCNC3=O)nn2)C1 1094311257 TUFXZZPYRNKQEG-CYBMUJFWSA-N 318.381 -0.537 30 20 DBED N#Cc1cncc(NCCCNC(=O)C(=O)NCC2CC2)n1 1094545216 HJUXTWHJROULFX-UHFFFAOYSA-N 302.338 -0.207 30 20 DBED CCN1CCOC[C@H]1C(=O)NCCCNc1cncc(C#N)n1 1094654234 IDIBHCUIMMQQPA-ZDUSSCGKSA-N 318.381 -0.013 30 20 DBED CCN1CCOC[C@@H]1C(=O)NCCCN=c1cc[nH]c(C#N)n1 1094654745 VCAXPMIBAQFWAX-GFCCVEGCSA-N 318.381 -0.591 30 20 DBED C#CCCN1CC(N2C[C@@H](NC(=O)c3cc[nH]n3)CC2=O)C1 1094710872 XVOVCSIVULIEBA-NSHDSACASA-N 301.350 -0.552 30 20 DBED N#Cc1cnc(N[C@@H]2CCN(C(=O)CCNC(N)=O)C2)cn1 1095035003 KYGBKUDYEKSBSH-SECBINFHSA-N 303.326 -0.581 30 20 DBED CNC(=O)CC(=O)N1CCCN(c2nccnc2C#N)CC1 1095177242 MDFBUJZRZHQFAY-UHFFFAOYSA-N 302.338 -0.477 30 20 DBED CN1C[C@@H](C(=O)NCCCN(C)c2ccncc2C#N)NC1=O 1095696679 JYLMMZREZJVXJM-LBPRGKRZSA-N 316.365 -0.081 30 20 DBED CNC(=O)CC(=O)N[C@H]1CCCN(c2nc(C)cc(C#N)n2)C1 1096161899 VVZXKYMSQYMWLE-NSHDSACASA-N 316.365 -0.122 30 20 DBED CN(C)C(=O)CC(=O)N[C@H]1CCCN(c2ccc(C#N)nn2)C1 1096237131 CKKTVBOSSYDMLE-LBPRGKRZSA-N 316.365 -0.088 30 20 DBED N#Cc1nccnc1N[C@H]1C[C@H](NC(=O)CCNC(N)=O)C1 1097031359 YXZRDYRZNLJKTB-KYZUINATSA-N 303.326 -0.534 30 20 DBED C[C@H](CNC(=O)[C@H]1CCC(=O)N(C)C1)N=c1cc[nH]c(C#N)n1 1097907204 FEXPNOJLHMHYTC-MNOVXSKESA-N 316.365 -0.445 30 20 DBED C[C@@H](CCNC(=O)[C@@H]1CN(C)C(=O)N1)Nc1cncc(C#N)n1 1099616276 GMEOKTCDAFABHC-ONGXEEELSA-N 317.353 -0.321 30 20 DBED N#CCSCC(=O)N[C@H]1CCN(Cc2ccon2)C[C@@H]1O 1099686483 GLEDUEIKTHNVBT-RYUDHWBXSA-N 310.379 -0.017 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)C#CC(C)C)[C@@H](O)C1 1099822066 ZYMPTSFXKGINOY-KBPBESRZSA-N 307.394 -0.501 30 20 DBED C#CCN1CC[C@H](NC(=O)COCc2ccnn2C)[C@H](O)C1 1099890234 OXADYCFWRKFZNM-UONOGXRCSA-N 306.366 -0.879 30 20 DBED CCc1n[nH]cc1C(=O)N[C@H]1CCN(CC#CCOC)C[C@@H]1O 1099898546 DHNUDZHJTXCFCP-GJZGRUSLSA-N 320.393 -0.213 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)Cn2ccc(C)n2)[C@@H](O)C1 1100005583 FDXQHVFULSCACX-CABCVRRESA-N 320.393 -0.607 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2cnn(CCOCC)c2)[C@@H](O)C1 1100050994 QHCLYYMWARYKNE-CABCVRRESA-N 320.393 -0.282 30 20 DBED CN1CC[C@H](C(=O)NCCN(C)c2cncc(C#N)n2)C1=O 1100273013 BEVRHQCCWOBUBZ-LLVKDONJSA-N 302.338 -0.621 30 20 DBED CCN(CCNC(=O)[C@H]1CCC(=O)N1C)c1cnc(C#N)cn1 1100690221 RRYCHFMMWWSJRG-GFCCVEGCSA-N 316.365 -0.088 30 20 DBED CCCN(CCNC(=O)[C@H]1COC(=O)N1)c1ccnc(C#N)n1 1101132653 SWBOYUKFGHPBBH-SNVBAGLBSA-N 318.337 -0.211 30 20 DBED CN(CCNc1ccc(C#N)nc1)C(=O)C[C@H]1CC(=O)NC1=O 1101680414 LJRQVASTOHOSQC-SNVBAGLBSA-N 315.333 -0.124 30 20 DBED CC#CCN1C[C@@H](C)[C@H](CNC(=O)CCCS(N)(=O)=O)C1 1102297956 GSRLCJCZTVHDNU-CHWSQXEVSA-N 315.439 -0.238 30 20 DBED N#Cc1cncc(N2CCC[C@@H](CCNC(=O)C(N)=O)C2)n1 1102941368 HBWAVTDEDUAFHV-JTQLQIEISA-N 302.338 -0.444 30 20 DBED C[C@H](CNC(=O)C[C@H](C)NC(N)=O)CNc1cncc(C#N)n1 1104098866 FNVWUUXPODJUIU-UWVGGRQHSA-N 319.369 -0.041 30 20 DBED COCc1nc(C)cc(NC[C@H](O)CNC(=O)[C@H](C)C#N)n1 1105771984 VOWTWQQAZVEPGT-KOLCDFICSA-N 307.354 -0.020 30 20 DBED COCc1nc(NC[C@@H](O)CNC(=O)[C@H](C)C#N)cc(OC)n1 1105774418 RVERASMECZJQGK-NXEZZACHSA-N 323.353 -0.320 30 20 DBED CC(C)[C@@H](C(=O)NC[C@H](O)CNc1nccnc1C#N)N(C)C 1105918165 YUKCFZALZYJDCT-YPMHNXCESA-N 320.397 -0.177 30 20 DBED COCC1(C(=O)NC[C@H](O)CNc2cnc(C#N)cn2)CC1 1106023278 RHCAAVBIBUEHPB-LLVKDONJSA-N 305.338 -0.336 30 20 DBED C[C@H](NC(N)=O)C(=O)NC/C=C\CNc1cncc(C#N)n1 1107169200 YMUJOAJHPVVWMV-XADBCAIWSA-N 303.326 -0.511 30 20 DBED Cc1cc(=NC/C=C/CNC(=O)[C@H]2COC(=O)N2)c(C#N)c[nH]1 1107176324 WSGGAXQEIPLYKD-YWVDXFKGSA-N 315.333 -0.124 30 20 DBED N#Cc1nccnc1NC/C=C\CNC(=O)[C@H]1CCNC1=O 1107452718 UADYBIJMQBKATI-JWXWKVPASA-N 300.322 -0.431 30 20 DBED C[C@H](CNc1ccc(C#N)nn1)NC(=O)CNC(=O)C1CC1 1107658151 HACCOTCSVKXVHX-SECBINFHSA-N 302.338 -0.209 30 20 DBED C[C@H](CNc1ccc(C#N)nn1)NC(=O)c1cc(=O)n(C)o1 1107697468 PXPUVMNKXFKDOW-MRVPVSSYSA-N 302.294 -0.130 30 20 DBED C=CCNC(=O)CN1CCO[C@](C)(CNC(=O)[C@H](C)C#N)C1 1107819426 PBLVYYCZAQSXED-IUODEOHRSA-N 308.382 -0.345 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)CN2CCCCC2=O)C1 1108048408 TUYDPLVFJCTMIL-INIZCTEOSA-N 307.394 -0.161 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)[C@@H]1CCC(=O)N1C 1108642034 MHAVGNGSHSWIAV-UWVGGRQHSA-N 302.338 -0.692 30 20 DBED C[C@@H](CNc1ccc(C#N)cn1)NC(=O)[C@@H]1CC(=O)NC(=O)N1 1108720701 QJFYJNNLGCDYFF-WPRPVWTQSA-N 316.321 -0.532 30 20 DBED COC(=O)NCC(=O)N[C@@H](C)CN(C)c1cncc(C#N)n1 1108832737 UTSCILWTCREYDJ-VIFPVBQESA-N 306.326 -0.355 30 20 DBED C[C@@H](CN(C)c1ccc(C#N)nn1)NC(=O)[C@H]1CCC(=O)N1 1108863084 APVLHVGQKHLLHE-GXSJLCMTSA-N 302.338 -0.432 30 20 DBED C[C@H](CN(C)c1ccc(C#N)nn1)NC(=O)c1ncn(C)n1 1108933854 XJVICXLTOGJOPQ-SECBINFHSA-N 300.326 -0.269 30 20 DBED Cc1nsc(N(C)C[C@@H](C)NC(=O)[C@H]2CNC(=O)N2)c1C#N 1109210994 NODASXWTYGVVOF-GMSGAONNSA-N 322.394 -0.055 30 20 DBED CN(CCCN=c1cc[nH]c(C#N)n1)C(=O)[C@H]1CCNC1=O 1109578720 NGHVOTXIAKCXDZ-JTQLQIEISA-N 302.338 -0.833 30 20 DBED N#Cc1ccc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)CCn2ccnn2)nn1 1109698070 WIGUUAHDHKLDNS-IFUGULHKSA-N 324.348 -0.277 30 20 DBED C[C@@]1(C(=O)NCC2(Nc3cncc(C#N)n3)CC2)CCNC1=O 1110344695 SCDBHYJSLNVXFL-CQSZACIVSA-N 314.349 -0.065 30 20 DBED C=CCOCC(=O)N[C@]1(C)CCN(c2nccn3nnnc23)C1 1110728154 IUKCNOUGBPXSOM-CQSZACIVSA-N 317.353 -0.193 30 20 DBED CCO[C@H](C)C(=O)NC[C@]1(O)CCN(c2ccnc(C#N)n2)C1 1111029065 BQKCVKBUKUGVHP-IAQYHMDHSA-N 319.365 -0.169 30 20 DBED C=CCOCC(=O)NC[C@]1(O)CCN(c2nccnc2F)C1 1111039876 RGEQZXRVOOQYRS-CQSZACIVSA-N 310.329 -0.124 30 20 DBED CCOCCC(=O)NC[C@@]1(O)CCN(c2ccnc(C#N)n2)C1 1111042661 YTIWVHZVEMRKBD-HNNXBMFYSA-N 319.365 -0.168 30 20 DBED N#Cc1nccc(N2C[C@H]3C[C@@H](NC(=O)CC(N)=O)C[C@H]2C3)n1 1111153605 MRPSWTULVPZWBG-HBNTYKKESA-N 314.349 -0.303 30 20 DBED N#Cc1c[nH]ccc1=NCCN(CCO)C(=O)c1ccon1 1111438355 UEHMJHFTLJWQHO-UHFFFAOYSA-N 301.306 -0.090 30 20 DBED CN(C)CCC(=O)N1CCO[C@@H](CNc2nccnc2C#N)C1 1111962289 UBEGNSIFPNFPAF-LBPRGKRZSA-N 318.381 -0.061 30 20 DBED C#CCCNC[C@]12CCC[C@H]1CN(C(=O)[C@H]1CNC(=O)N1)C2 1112519632 SBEDVONDQLVPNN-ZENOOKHLSA-N 304.394 -0.091 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1112719395 ANMOQVHUJCLDIU-OCCSQVGLSA-N 313.361 -0.079 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(c2cnc(F)cn2)C[C@@H]1O 1112738682 RHSVBUMOLDEADA-NEPJUHHUSA-N 322.340 -0.431 30 20 DBED N#Cc1ccc(NCC2CC(NC(=O)CNC(N)=O)C2)nn1 1112816141 ZVTLGVQPMHILCX-UHFFFAOYSA-N 303.326 -0.677 30 20 DBED C[C@H](NC(=O)CCNC(N)=O)[C@@H](C)Nc1cnc(C#N)cn1 1113038068 ABIIAMJDCTVDEP-BDAKNGLRSA-N 305.342 -0.288 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H](C)N(C)c1ccc(C)nn1 1113567450 SSZHJSYQBMJECX-LBPRGKRZSA-N 303.366 -0.135 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3coc(C)n3)[C@H]2C1 1114177800 DAJXKTSCILCSPF-YABSGUDNSA-N 304.350 -0.055 30 20 DBED Cc1cc[nH]c1C(=O)NC1[C@H]2CN(CC(=O)NCC#N)C[C@H]12 1114200932 GUWOIPVOXUIZGU-QWRGUYRKSA-N 301.350 -0.377 30 20 DBED CN(C)[C@@H](C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21)C1CC1 1114409073 GACBARPYRMGEIK-PAPYEOQZSA-N 319.409 -0.987 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)[C@H]3OCCO[C@H]3C)[C@@H]2C1 1114422008 VPWQOWRHDLLLOC-JLNYLFASSA-N 308.378 -0.514 30 20 DBED CC1(C)CN(c2cnc(C#N)cn2)C[C@H]1NC(=O)CC(N)=O 1114427931 STMRGXFFTADETR-SNVBAGLBSA-N 302.338 -0.445 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3ccn(C)c3C)[C@H]2C1 1114795832 AKQIVHNMCPUOBQ-FOLVSLTJSA-N 314.389 -0.257 30 20 DBED C=C(Cl)CN1C[C@H]2C(NC(=O)[C@@H](C)NS(C)(=O)=O)[C@@H]2C1 1114888623 KWWYZTQRUSBFRU-OPRDCNLKSA-N 321.830 -0.277 30 20 DBED C=CCCOCC(=O)NC1[C@@H]2CN(Cc3nc(O)n[nH]3)C[C@@H]12 1115329958 DKSJSWWPVHDOLG-NXEZZACHSA-N 307.354 -0.351 30 20 DBED C[C@H](CN(C)C(=O)[C@@H]1COCCN1C)Nc1nccnc1C#N 1115682670 URJRVXYNYJPIDM-YPMHNXCESA-N 318.381 -0.062 30 20 DBED CCc1ncc(NC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)cn1 1118205651 LTTGLSGYKLQWGV-AWEZNQCLSA-N 303.322 -0.145 30 20 DBED C[C@H](NC(=O)C(=O)N1CC[C@](O)(CC#N)C1)[C@H]1CCCOC1 1118222808 GOYRDAAJKOOGME-SLEUVZQESA-N 309.366 -0.205 30 20 DBED C#CCCCNC(=O)C(=O)NC[C@H]1CC2(CCNCC2)CO1 1119415527 WFQSVNSIALUTTD-CYBMUJFWSA-N 307.394 -0.209 30 20 DBED Cc1cc(=N[C@H](CO)CNC(=O)c2cc(C)[nH]n2)c(C#N)c[nH]1 1121120048 NBCPTCRKAFYLQD-LBPRGKRZSA-N 314.349 -0.082 30 20 DBED N#Cc1nccnc1N[C@H](CO)CNC(=O)[C@H]1CCCOC1 1121196817 CGGUYDKBTMDRNA-QWRGUYRKSA-N 305.338 -0.336 30 20 DBED Cc1cc(C(=O)NC[C@@H](CO)N=c2cc[nH]c(C#N)n2)ncn1 1121310418 HZONEVXFTRVONR-JTQLQIEISA-N 313.321 -0.929 30 20 DBED CCN(C)C(C)(C)C(=O)NC[C@H](CO)Nc1nccnc1C#N 1122191209 TWNAJSHCQYQRSR-LLVKDONJSA-N 320.397 -0.032 30 20 DBED CN1CCCC[C@@H]1C(=O)NC[C@H](CO)Nc1nccnc1C#N 1122861335 QXUBMQCDSANIOJ-DGCLKSJQSA-N 318.381 -0.278 30 20 DBED C=C(C)CN(CC)C(=O)CNCCNC(=O)CCc1nc[nH]n1 1125419618 NGYORJMFEBOZDZ-UHFFFAOYSA-N 322.413 -0.132 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)[C@@H]1COC(=O)N1 1126560587 MTUDBSJRPZJIHL-NSHDSACASA-N 310.354 -0.999 30 20 DBED C[C@@H](NC(=O)C(N)=O)C1CCN(c2cnc(C#N)cn2)CC1 1126676268 SHYRAKLGFIDZEF-SECBINFHSA-N 302.338 -0.445 30 20 DBED C#CCO[C@H](C)C(=O)NCCNCC[C@H]1CCS(=O)(=O)C1 1127046220 OFOITQUVXPZEQQ-OLZOCXBDSA-N 316.423 -0.445 30 20 DBED COCC#CCNCCNC(=O)[C@H](C)NC(=O)c1ccoc1 1128004910 OOKZJUUBPUPEIV-LBPRGKRZSA-N 307.350 -0.247 30 20 DBED C=CCN1CCn2ncc(CNC(=O)CNC(=O)NC)c2C1 1128372745 ULKYKQOCXFDSPL-UHFFFAOYSA-N 306.370 -0.570 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(CC#C)C[C@@H]1n1ccnn1 1128999197 SNLIUEPVNNRPIA-KGLIPLIRSA-N 301.350 -0.707 30 20 DBED N#CCSCC(=O)N1C[C@H](n2ccnn2)[C@H](NCCCO)C1 1129604123 XMPHNRGMKDDUKC-NEPJUHHUSA-N 324.410 -0.741 30 20 DBED COCCN[C@@H]1CN(C(=O)C#CC(C)C)C[C@@H]1n1ccnn1 1129822115 GEYZIHAPHVPVDA-KGLIPLIRSA-N 305.382 -0.075 30 20 DBED C=C[C@](C)(CCOC)C(=O)NCCNCCNS(C)(=O)=O 1131869785 JOEBKUNLXQSZLC-CYBMUJFWSA-N 321.443 -0.530 30 20 DBED C#CCNC(=O)CN1C[C@H](NC(=O)CCN(C)C)CC[C@@H]1C 1132272948 CJNIGUYBPUCNMD-UONOGXRCSA-N 308.426 -0.343 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCCNCC(=O)NC(=O)NCC 1134062298 WDDUYROTQNVYRT-MNOVXSKESA-N 312.370 -0.871 30 20 DBED C=CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)c1cnnc(O)c1 1134674363 ARWUOICBXCYHCB-MNOVXSKESA-N 321.381 -0.029 30 20 DBED C=CCCn1cc(C(=O)NCCNCCn2cncn2)nn1 1135075796 ZRKYVBWKJRMSEW-UHFFFAOYSA-N 304.358 -0.535 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@@H](C)c1c(C)n[nH]c1C 1135432700 OJPJOGZQZQKQPI-JTQLQIEISA-N 305.382 -0.415 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1cnn(C(F)F)c1 1135790755 OERGJQIULNUDCQ-UHFFFAOYSA-N 300.269 -0.763 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@]1(C)CCN(C(C)=O)C1 1146993749 FNBWOIXEOIXISB-BLLLJJGKSA-N 322.409 -0.911 30 20 DBED COCC#CCN1CCCO[C@H](CNC(=O)c2[nH]nnc2C)C1 1150061930 GZDFZAIMVLYZDI-CYBMUJFWSA-N 321.381 -0.416 30 20 DBED C=CCCN1CCCO[C@H](CNC(=O)CN2CC(=O)NC2=O)C1 1150452598 GZGHIJUVCPGOPO-GFCCVEGCSA-N 324.381 -0.679 30 20 DBED CC(C)C[C@@H](C(N)=O)C(=O)NC[C@H]1CN(CC#N)CCCO1 1150832007 OZBDOFWVXBABQJ-STQMWFEESA-N 310.398 -0.135 30 20 DBED CC#CCN1CCC(CCOC)(NC(=O)[C@H]2CNC(=O)N2)CC1 1151281816 RROWSZWCWXHEAU-CYBMUJFWSA-N 322.409 -0.322 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)C1CCOCC1 1151487075 MRADEUGOLHGYPK-CYBMUJFWSA-N 309.410 -0.011 30 20 DBED CC#CCN(CC)[C@H](C)CNC(=O)[C@@H](C)NS(C)(=O)=O 1155451450 JWQCNULACWDDNY-VXGBXAGGSA-N 303.428 -0.226 30 20 DBED CCCN(C)CC(=O)NC[C@@H](C)N(CC)CC(=O)NCC#N 1156525672 TXKNXQISCMGPIC-CYBMUJFWSA-N 311.430 -0.205 30 20 DBED CC(=O)NCC(=O)N1CCCC[C@@H]1CN(C)CC(=O)NCC#N 1157465169 QGZLFUJKBBNECK-CYBMUJFWSA-N 323.397 -0.925 30 20 DBED C=CCNC(=O)CNCCCNC(=O)c1cn2c(n1)CCC2 1158318488 DRMTYOXOPBUGBS-UHFFFAOYSA-N 305.382 -0.159 30 20 DBED CC(=O)N[C@@H](CC(=O)NCCC1=CCN(CC#N)CC1)C(N)=O 1161417281 HOIGXJQIGZPKNF-ZDUSSCGKSA-N 321.381 -0.972 30 20 DBED C#CCNC(=O)CNCCCNC(=O)CN1CCC(C)(C)C1 1166765142 UCCLLVFWAJJQOM-UHFFFAOYSA-N 308.426 -0.436 30 20 DBED C=CCC[C@H](C)NCCCNC(=O)CN1C(=O)C(=O)N(C)C1=O 1167567581 GTHZNLHIRUOOIV-NSHDSACASA-N 324.381 -0.142 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)c2cnn(C)n2)C1=O 1168325798 AZNWFQZKNFUBKU-NSHDSACASA-N 306.370 -0.689 30 20 DBED CC#CCNCCCC[C@@H](C)NC(=O)CN1CCNC(=O)C1 1174658440 DRBAHTJDAGSUAJ-CQSZACIVSA-N 308.426 -0.294 30 20 DBED C#CCNC(=O)CN1CCO[C@@H]2CCN(C(=O)CCC)C[C@@H]21 1176882180 MHYPIGPSVCELDC-UONOGXRCSA-N 307.394 -0.162 30 20 DBED CC#CCN1CCO[C@H]2CCN(C(=O)CN(C)C(C)=O)C[C@@H]21 1176929626 JPCAIRCLZQIIID-GJZGRUSLSA-N 307.394 -0.210 30 20 DBED C#CCOCCC(=O)N1CC[C@H](NCc2cnnn2C)[C@@H]1C 1178682135 WYMDBJHUMLUYQP-JSGCOSHPSA-N 305.382 -0.066 30 20 DBED C#CCCNCCCCCCNC(=O)[C@H]1CCS(=O)(=O)N1 1180289629 KJMVAQRCXZKMCE-CYBMUJFWSA-N 315.439 -0.032 30 20 DBED CC(C)(C(=O)N1CC[C@@H](NCC(=O)NCC#N)C1)N1CCCC1 1184799549 APKITTOVWXHBDJ-CYBMUJFWSA-N 321.425 -0.309 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)CN(CC)CC)C1 1186496761 PZHDJLOTBQBGHB-UONOGXRCSA-N 308.426 -0.343 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@]2(C)CCCOC2)C1 1186607657 DGBKBWRFLKCTEB-CJNGLKHVSA-N 307.394 -0.257 30 20 DBED CN(CC(=O)NCC#N)[C@@H]1CCN(C(=O)COCC2CC2)C1 1189048690 DHEDJCZXFXFWIT-CYBMUJFWSA-N 308.382 -0.415 30 20 DBED C=CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3ncccn3)[C@@H]2C1 1189491884 IICGQRBNJPJCOU-QWHCGFSZSA-N 315.377 -0.075 30 20 DBED CN(CC(=O)NCC#N)[C@@H]1CCN(C(=O)Cc2ccoc2)C1 1189797366 MZXIMLLSYCLHKO-CYBMUJFWSA-N 304.350 -0.005 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2coc(C)c2)C1 1192419482 DSWHKPUQSYYKQH-CHWSQXEVSA-N 305.334 -0.888 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)/C=C(/C)CC)C1 1192722483 OBYDPXIOEOVGCC-GIEACOJWSA-N 307.394 -0.358 30 20 DBED C=CCNC(=O)[C@H](C)N(C)[C@H]1CCN(C(=O)CC(=O)N(C)C)C1 1192757456 BMMPMRVFTJDPPB-STQMWFEESA-N 324.425 -0.312 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)Cc2ccc[nH]2)C1 1194162450 DOJDITOCVHGMPL-CQSZACIVSA-N 302.378 -0.161 30 20 DBED C=CCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)CS(C)(=O)=O)C1 1199154379 MLWUGWZYIDZWFU-YNEHKIRRSA-N 318.439 -0.205 30 20 DBED CCn1nc(C)c(C(=O)N[C@@H]2CN(CC#CCOC)C[C@H]2O)n1 1199490668 XIUNNPOINIVBPZ-CHWSQXEVSA-N 321.381 -0.969 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)[C@H]2CN(C)CCO2)CCCO1 1200180660 AWGIFEALYMHYNI-HUUCEWRRSA-N 309.410 -0.453 30 20 DBED CC#CCNC[C@H]1CN(C(=O)c2cnn(C)c2N)CCCO1 1200338703 QNHDORIQAQDIHI-LBPRGKRZSA-N 305.382 -0.154 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1200462340 XDKSKNMNNHLOEY-VXGBXAGGSA-N 310.354 -0.466 30 20 DBED C#CCNC[C@@H]1CN(C(=O)CCN2CCOCC2)CCCO1 1201638694 CACIUQJLLGGRBK-OAHLLOKOSA-N 309.410 -0.451 30 20 DBED C[C@@H]1[C@H](C(=O)N2CCC[C@H](NCC(=O)NCC#N)C2)CCN1C 1208070316 IXZBQBFJBSQZAV-HZSPNIEDSA-N 321.425 -0.453 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@@H](CC)N(C)C)C1 1208414437 POBJEQIRRBNZRE-ZIAGYGMSSA-N 308.426 -0.343 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)N[C@@H]1CN(CCO)C[C@H]1C 1211358801 MHASGQPNVRWYDK-VXGBXAGGSA-N 312.414 -0.321 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(CCn2cccn2)C[C@H]1OC 1212257877 KIIBTDXGIQUNEA-RBSFLKMASA-N 320.393 -0.263 30 20 DBED C=C[C@@](C)(O)CC(=O)N1C[C@@H](NCC(=O)NCC#N)[C@H](C)C1 1214521246 YXZHDXQQFJRXCD-LALPHHSUSA-N 308.382 -0.610 30 20 DBED C#CCOCCC(=O)N1C[C@@H](N[C@@H](C)C(=O)N(C)C)[C@H](C)C1 1214611037 MGYVHQGLPFQXDL-HZSPNIEDSA-N 309.410 -0.061 30 20 DBED C[C@@H]1CN(C(=O)CCCN(C)C)C[C@H]1NCC(=O)NCC#N 1215421917 QBEBYLYSJLGYRL-CHWSQXEVSA-N 309.414 -0.596 30 20 DBED N#CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)CC1CCC1 1217594127 CPVLBDDEZVDBJX-UONOGXRCSA-N 320.393 -0.272 30 20 DBED CC(C)(C)C(=O)NCC(=O)N1CCO[C@@H]2CN(CC#N)C[C@@H]21 1219030423 WGBLGPZUTWWNQT-NWDGAFQWSA-N 308.382 -0.416 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(Cc2nccn2CC)C[C@@H]1O 1219527712 ZPKJELPUGBMDDW-DVOMOZLQSA-N 322.409 -0.109 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2ccccn2)C[C@@H]1O 1219602704 AGSOWEXBQNHBPQ-YUELXQCFSA-N 303.362 -0.219 30 20 DBED CC(C)C[C@@]1(C(=O)N[C@@H]2CN(CC#N)C[C@@H]2O)CCNC1=O 1219828103 VLCUWIZVUNRRSL-XUJVJEKNSA-N 308.382 -0.776 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C[C@@H](C)COC)C1 1220650058 VVLXGNAIHMGDFO-UPJWGTAASA-N 313.398 -0.878 30 20 DBED CC(=O)N1CCC(CCC(=O)N[C@@H]2CN(CC#N)C[C@@H]2O)CC1 1221022759 MHPZDLZHWYLKPA-CABCVRRESA-N 322.409 -0.290 30 20 DBED N#CCNC(=O)CN1CCC(CNC(=O)C#CC2CC2)CC1 1223130947 WLNZBNQEMHWKLA-UHFFFAOYSA-N 302.378 -0.132 30 20 DBED CC#CCN[C@@H]1CCCC[C@H]1NC(=O)CN1CCNC(=O)C1 1227908754 VXRAZPPADCPRJN-ZIAGYGMSSA-N 306.410 -0.542 30 20 DBED C=CCN1CCS(=O)(=O)[C@@H](CCNC(=O)c2cnccn2)C1 1230412964 AXLDXJXPWIKRFZ-LBPRGKRZSA-N 324.406 -0.119 30 20 DBED C=CCNC(=O)CN1CC[C@H]1CN(C)C(=O)[C@H]1COCCO1 1230823248 GMCJAHXOONYASG-QWHCGFSZSA-N 311.382 -0.763 30 20 DBED N#CCN1CCC(NC(=O)NCC(=O)NCC(F)(F)F)CC1 1251698194 DZIDJPHQSOJRMD-UHFFFAOYSA-N 321.303 -0.048 30 20 DBED CC#CCNC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 1253793997 IDYLOYIZWKXCSM-SNVBAGLBSA-N 311.363 -0.709 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCC[C@@H]1CC(=O)OC)[C@@H]1CCCO1 1261154485 MHGZBKFDIOVJGA-AGIUHOORSA-N 322.361 -0.163 30 20 DBED C=CCOCCNC(=O)C(=O)N[C@H]1CCOC[C@H]1OCC 1261669418 KJLIGFWRGWSHSA-NWDGAFQWSA-N 300.355 -0.385 30 20 DBED C=CCn1c([C@@H]2CC(=O)N(CC)C2)nnc1N1CCNC(=O)C1 1262962888 YYFRWCVQWRHLLO-LLVKDONJSA-N 318.381 -0.264 30 20 DBED CC(C)CN1CCO[C@H](CNC(=O)C(=O)NCCCC#N)C1 1321364285 FYKXUKVWEDJTQQ-CYBMUJFWSA-N 310.398 -0.121 30 20 DBED C#CCN(C)C(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1 1321797843 QDPWZNAHAMEJEB-UHFFFAOYSA-N 313.310 -0.497 30 20 DBED N#CCCC[C@H](N)C(=O)N1CCN(c2nc(N)ns2)CC1 1326059522 AVTNJUMRWFEYHR-VIFPVBQESA-N 309.399 -0.210 30 20 DBED C[C@@H]1CN(C)C(=O)CN1C(=O)C(=O)N1CCC[C@H](CC#N)C1 1328204019 NGJLCIVWLJUVMA-VXGBXAGGSA-N 306.366 -0.172 30 20 DBED C=C(C)CN1CCC(NC(=O)C(=O)NC[C@H]2C[C@@H](N)C2)CC1 1331154223 GDWKOODKEPLTCJ-BETUJISGSA-N 308.426 -0.003 30 20 DBED COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)C(=O)NCCCCC#N)C1 1332219842 ZADOZYNULFGECF-GHMZBOCLSA-N 311.338 -0.821 30 20 DBED C#CC[C@H](CO)NC(=O)[C@H]1CS(=O)(=O)C[C@H]1C(F)(F)F 1332364441 CUHABWVCELKKMX-HRDYMLBCSA-N 313.297 -0.290 30 20 DBED C=CCn1c(CO)nnc1N1CCN(S(C)(=O)=O)CC1 1339822064 KCIXSGCPPAYLLK-UHFFFAOYSA-N 301.372 -0.962 30 20 DBED C=CCn1c(N2CCN(C)C(=O)C2)nnc1[C@](C)(O)COC 1340474179 PWXFHVYDEZHKCR-CQSZACIVSA-N 309.370 -0.404 30 20 DBED C=CCn1c(N2CCN(C)C(=O)[C@H]2C)nnc1[C@]1(O)CCOC1 1342443085 PVVDZPCOHFOLOI-ABAIWWIYSA-N 321.381 -0.261 30 20 DBED N#Cc1cn(CC(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)c(=O)nc1O 1362213271 CJDFICJDBDAWSU-TUAOUCFPSA-N 318.333 -0.106 30 20 DBED N#Cc1cn(CC(=O)N[C@@H]2CCC[C@@H]3OCC[C@@H]32)c(=O)nc1O 1362213276 CJDFICJDBDAWSU-UTUOFQBUSA-N 318.333 -0.106 30 20 DBED CO[C@@H](CC(C)C)C(=O)NCCn1cc(C#N)c(O)nc1=O 1363126498 DZTBAEFWGPILBW-NSHDSACASA-N 308.338 -0.002 30 20 DBED Cn1c(C#N)ccc1C(=O)NCCn1cc(C#N)c(O)nc1=O 1363130366 WQDMGVKUPHZTJL-UHFFFAOYSA-N 312.289 -0.539 30 20 DBED CO[C@@H](CNC(=O)CCn1cc(C#N)c(O)nc1=O)C1CC1 1363305681 CHQCCZKJLZOOOX-NSHDSACASA-N 306.322 -0.248 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C)C(=O)[C@H]1CCCc2nn[nH]c21 1387082007 ONLFTGLPYREXFK-UWVGGRQHSA-N 304.354 -0.041 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)C12CCCN1CCC2 1389123579 LYOVATCFMCTVOO-VXGBXAGGSA-N 308.382 -0.632 30 20 DBED C=C(Cl)CNC[C@@H](C)N(C)C(=O)CNC(=O)CNC(C)=O 1392081369 WMMADNOYMVBWDC-SNVBAGLBSA-N 318.805 -0.572 30 20 DBED COCCN(CCNC(=O)[C@@H](C)C#N)C(=O)[C@@H](C)n1cncn1 1396173471 OBKGLAGJMKFWSW-NWDGAFQWSA-N 322.369 -0.410 30 20 DBED Cc1cc(C)n(CC(=O)NC[C@H](C)NC(=O)[C@@H](C)C#N)c(=O)n1 1408308763 VMJDWPANOWACFN-ONGXEEELSA-N 319.365 -0.359 30 20 DBED Cn1ccnc1CCC(=O)NCCn1cc(C#N)c(O)nc1=O 1413306622 FVJVRGHRSKVTSJ-UHFFFAOYSA-N 316.321 -0.697 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)CCc1ccncc1 1416769231 MXEBBMBATFJQMT-WCQYABFASA-N 304.350 -0.233 30 20 DBED CCS(=O)(=O)CC(=O)N[C@H](C)C1CN(C(=O)[C@H](C)C#N)C1 1427040090 XOOZQAGDWKCENW-NXEZZACHSA-N 315.395 -0.456 30 20 DBED C[C@H](CN(C)C(=O)c1cnnn1C)NC(=O)c1ccc(C#N)[nH]1 1427538831 LMVCUNZWNHAIMG-SECBINFHSA-N 315.337 -0.095 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](CNC(=O)c1ccc(=O)n(C)n1)C1CC1 1428008235 OEOBSKZGGGYRLQ-JOYOIKCWSA-N 317.349 -0.435 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)[C@H]2CCN(C)C(=O)C2)CC1 1432215004 AYNMNCUTPLCKNY-MNOVXSKESA-N 306.366 -0.221 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)c2ccccn2)C1 1432781121 SNIRUWNGQGWOEJ-XHDPSFHLSA-N 302.334 -0.066 30 20 DBED C[C@@H]1C[C@@H](CO)CN(C(=O)Cn2cc(C#N)c(O)nc2=O)C1 1434111240 RBBWWKIWKKDJAG-NXEZZACHSA-N 306.322 -0.703 30 20 DBED C[C@H]1C[C@@H](CO)CN(C(=O)Cn2cc(C#N)c(O)nc2=O)C1 1434111244 RBBWWKIWKKDJAG-VHSXEESVSA-N 306.322 -0.703 30 20 DBED CC(C)CS(=O)(=O)CC(=O)NC1CN(C(=O)[C@@H](C)C#N)C1 1450402546 XADSITFTZWARBN-JTQLQIEISA-N 315.395 -0.456 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CNC(=O)C2(NC(N)=O)CC2)CC1 1453832056 BHFWHQAADNFKMK-JTQLQIEISA-N 321.381 -0.298 30 20 DBED Cc1nn(C)c(C)c1[C@@H](O)CNC(=O)[C@@H](C)n1cnc(C#N)n1 1457179157 LKNRJTDOHIITBO-MNOVXSKESA-N 317.353 -0.089 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]1CNC(=O)CN1CCCCC1=O 1458753751 NAWBEQPFYZGXAQ-VXGBXAGGSA-N 306.366 -0.124 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@@H](O)CNCc2nncs2)c1 1482717339 ARBJKTOZSQRUNE-VIFPVBQESA-N 306.351 -0.382 30 20 DBED C=C(Cl)CNC[C@H](O)CNC(=O)CCN1CCOCC1 1497078400 XRBNKTQPSMSFRU-LBPRGKRZSA-N 305.806 -0.472 30 20 DBED C=CCOC[C@H](NC(=O)[C@@H](C)[C@@H](C)S(C)(=O)=O)C(=O)O 1573369761 ZOFARIVJWATTJS-AEJSXWLSSA-N 307.368 -0.172 30 20 DBED C[C@@H](O)[C@H](N)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 1579416320 BJUXMFBCSFTQIQ-SKDRFNHKSA-N 319.365 -0.220 30 20 DBED C=CCn1cc(CNC(=O)[C@@H]2CCCN(CC(=O)O)C2=O)nn1 1588474641 LLUNOQZTCLJAJP-NSHDSACASA-N 321.337 -0.597 30 20 DBED C#Cc1ccc(C(=O)N2CCC[C@@H]2C(=O)NCC(=O)O)nc1 1588510477 FMDRFPSRFADIPY-GFCCVEGCSA-N 301.302 -0.132 30 20 DBED C[C@]1(C#N)CN(C(=O)NCCC(=O)NCCC(=O)O)CCO1 1593743354 OVJPBUGGSLKZTE-ZDUSSCGKSA-N 312.326 -0.709 30 20 DBED N#CCN(CC(=O)O)S(=O)(=O)CCOC1CCOCC1 1601071919 HDDAXPUBTBKLLL-UHFFFAOYSA-N 306.340 -0.578 30 20 DBED COCC#CCN1CCN(CCNC(=O)C2CC(OC)C2)CC1 1752367540 PPOGWKCZGLHYCE-UHFFFAOYSA-N 323.437 -0.205 30 20 DBED C#CCNC(=O)CN[C@H](CNC(=O)[C@@H]1CCO[C@H]1C=C)C1CC1 1752484225 GLUCUHZLQZKQMF-KFWWJZLASA-N 319.405 -0.189 30 20 DBED COCC#CCN[C@@H](CNC(=O)C[C@@H]1CC(=O)NC1=O)C1CC1 1752497871 ONPYHUQEFHAABV-OLZOCXBDSA-N 321.377 -0.827 30 20 DBED Cn1nc(C(=O)N[C@H]2C[C@@H](NCC(=O)NCC#N)C2)cc1Cl 1752743839 QDDWPSIQJHDQFD-DTORHVGOSA-N 324.772 -0.436 30 20 DBED C#CCNC(=O)[C@@H](C)NCCN(C)C(=O)C1CCC(O)CC1 1753186111 LRSDNJONJOEHNL-IYXRBSQSSA-N 309.410 -0.277 30 20 DBED COCC#CCN1[C@H]2CC[C@H]1CN(C(=O)[C@@H]1CCC(=O)N1)C2 1753310567 QCRONYZZAXBQGK-IHRRRGAJSA-N 305.378 -0.410 30 20 DBED CCn1nccc1C(=O)NC[C@@H](NCC(=O)NCC#N)C(C)C 1753828083 BZZIYNSHGFPQHW-GFCCVEGCSA-N 320.397 -0.113 30 20 DBED C#CCNC(=O)CNC[C@H](O)CNC(=O)C1(CC)CCCC1 1753932260 KTNXARYEXSASQK-ZDUSSCGKSA-N 309.410 -0.227 30 20 DBED C=CCNC(=O)[C@H](C)N1CC[C@@H]1CNC(=O)CCn1cncn1 1754473719 OXTBOJQKVQDOKL-QWHCGFSZSA-N 320.397 -0.451 30 20 DBED N#CCNC(=O)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ncc[nH]1 1754542576 VUOZQXDRXVWIJE-NEPJUHHUSA-N 316.365 -0.272 30 20 DBED C#CCNC1(CNC(=O)[C@@H](NC(N)=O)C(C)(C)C)CCOCC1 1754740678 JWCIDHODOUOVFB-GFCCVEGCSA-N 324.425 -0.042 30 20 DBED C=CCCN1CC(O)(CNC(=O)c2cccn3nnnc23)C1 1754768186 DSHNTIJMVRWWTA-UHFFFAOYSA-N 302.338 -0.523 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@H]1CN(C(=O)CCCF)CCO1 1755010295 BOPURPBJZXLGGH-STQMWFEESA-N 313.373 -0.309 30 20 DBED CC#CCN[C@@]1(CO)CCCN(C(=O)CCCC(=O)NC)C1 1755084669 QJSIVVYMXQUVSR-INIZCTEOSA-N 309.410 -0.131 30 20 DBED C#CCN[C@@H](C)[C@H]1CN(C(=O)c2cncc(OC)n2)CCO1 1755458186 CCBXWAYAETXBQA-WCQYABFASA-N 304.350 -0.063 30 20 DBED CN(C(=O)C#CC1CC1)[C@H](CNCc1nnnn1C)C1CC1 1755571645 PXNZKIDEEYGQIB-CYBMUJFWSA-N 302.382 -0.050 30 20 DBED C#CCCNC[C@@H](C1CC1)N(C)C(=O)[C@H]1CCS(=O)(=O)N1 1755573984 WOAGTPCBCKAZDA-OLZOCXBDSA-N 313.423 -0.472 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H](CO)CNC(=O)c1cncc(F)c1 1755626174 AJCGOPXMXNKKNT-ZWNOBZJWSA-N 322.340 -0.961 30 20 DBED CCCN1CCC[C@@H]1C(=O)NC[C@@H](CO)NCC#CCOC 1755630630 NQLLYAKFIDYUAK-LSDHHAIUSA-N 311.426 -0.423 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](NC(=O)[C@H](C)C#N)C(C)(C)C1 1756183170 JBZKLPGOJIWETR-VXGBXAGGSA-N 318.377 -0.361 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H](CO)CNC(=O)c1ccccc1O 1756503543 JWQBTDDGRSDALG-BZNIZROVSA-N 322.361 -0.074 30 20 DBED CC(C)C#CC(=O)N1CC[C@@H](NC(=O)CCNC(N)=O)[C@H]1C 1756561414 GKMKZVFLYXXDIB-VXGBXAGGSA-N 308.382 -0.190 30 20 DBED C#CCOCCC(=O)N(C)C[C@H](O)CNC(=O)c1ccncn1 1756663950 WBKZPFRHUSZEPP-GFCCVEGCSA-N 320.349 -0.934 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H](O)CN(C)C(=O)c1cnco1 1756671016 RNHQCKSJONHAKF-GHMZBOCLSA-N 309.322 -0.738 30 20 DBED COCCN(CCNC(=O)C#CC1CC1)C(=O)CCNC(N)=O 1756726775 RFYWZBJNMCLKHW-UHFFFAOYSA-N 324.381 -0.951 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](NC(=O)COCC=C)[C@H]1C 1757503413 QUONMSLKBKRAAC-OLZOCXBDSA-N 321.377 -0.566 30 20 DBED CC(=O)O[C@H]1CCN(S(=O)(=O)N[C@@H](CCC#N)C(=O)O)C1 1776208727 BIJMEHLTLYZSAK-UWVGGRQHSA-N 319.339 -0.785 30 20 DBED C=CCC(=O)NC[C@@H]1CCN(C(=O)C(O)O)[C@@H]1c1cccnc1 1813052110 DYIUZCUXYADHCT-GXTWGEPZSA-N 319.361 -0.026 30 20 DBED C=CCC[C@@H](O)CN(CC)CC(=O)N[C@@H]1CCS(=O)(=O)C1 121090374 GOYHYYOQEDNCSJ-CHWSQXEVSA-N 318.439 -0.061 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H]2CCCC[C@@H]2O)C1=O 265903230 VXUCJBNHUDEGGN-MNOVXSKESA-N 323.349 -0.370 30 20 DBED C[C@@H]1CN(C2CC2)C[C@@H]1Nc1c(C#N)c(=O)n(C)c(=O)n1C 268138975 JWVXOVRNZWVKDZ-SKDRFNHKSA-N 303.366 -0.150 30 20 DBED C=CCS(=O)(=O)CCNS(=O)(=O)C[C@H](C)C(=O)OC 272879896 VCNZITHENYPPKE-VIFPVBQESA-N 313.397 -0.684 30 20 DBED Cn1c(=O)c2ccc(C(=O)NCCCC#N)nc2n(C)c1=O 273064124 UCPULPUETHZSKX-UHFFFAOYSA-N 301.306 -0.334 30 20 DBED CC(C)C[C@@H]1C(=O)NCCN1c1c(C#N)c(=O)n(C)c(=O)n1C 275508875 UROMJLXWXAQCQB-LLVKDONJSA-N 319.365 -0.693 30 20 DBED C#C[C@H](C)NC(=O)C(=O)Nc1cccc(S(=O)(=O)NC)c1C 275910970 GLZWALHEEHEEBP-VIFPVBQESA-N 323.374 -0.020 30 20 DBED COc1ccc(C#N)cc1NC(=O)C(=O)N1CCNC(=O)[C@H]1C 275986825 JDANXTYWIQITSL-SECBINFHSA-N 316.317 -0.148 30 20 DBED N#Cc1ccccc1OCC(=O)NC[C@@H]1CC(C(N)=O)=NO1 276163901 AJULCCHIHZBNRG-JTQLQIEISA-N 302.290 -0.317 30 20 DBED COC[C@](C)(C#N)NC(=O)c1cc(N2CCNC(=O)C2)ccn1 276560939 RTMAWFOOQMLQNN-HNNXBMFYSA-N 317.349 -0.324 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N1C[C@@H](C)O[C@@H](C(=O)OC)C1 282508182 RRUIPYLIHHAMKP-GMTAPVOTSA-N 313.354 -0.351 30 20 DBED C=CCN1CC[C@H](N2CCC[C@](O)(Cn3ccnn3)C2)C1=O 284546486 LCNAJXHEWHINTI-DZGCQCFKSA-N 305.382 -0.108 30 20 DBED CN1CCC[C@H]1C/N=C(/O)N1CCCN(S(C)(=O)=O)CC1 328823578 RDVHUWBKITWVNK-LBPRGKRZSA-N 318.443 -0.038 30 20 DBED C[C@@H]1C[C@H](N2CCOCC2)CN1/C(O)=N/[C@H]1CCN(C)C1=O 329271693 JJSPNMMNDSBUEQ-AGIUHOORSA-N 310.398 -0.074 30 20 DBED COCCN(CCC#N)S(=O)(=O)N(CCO)C1CCC1 337161596 URMHYTOAIYYNHO-UHFFFAOYSA-N 305.400 -0.060 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)NCC(=O)NCC(F)(F)F 337948122 KNJFODJRLUUHLN-ZETCQYMHSA-N 316.305 -0.267 30 20 DBED CCN(CCC#N)S(=O)(=O)N1C[C@H](C)O[C@H](C(=O)OC)C1 337960269 NIZUBGIQMQTCGT-QWRGUYRKSA-N 319.383 -0.271 30 20 DBED COCCN1CN(CC(=O)NCc2cccc(C#N)c2)CC1=O 338360759 SHYUKZRICGRNCX-UHFFFAOYSA-N 316.361 -0.077 30 20 DBED Cn1c(=O)ccn(CC(=O)NCCc2cccc(C#N)c2)c1=O 340593894 BIKGHAUJVQXOHV-UHFFFAOYSA-N 312.329 -0.222 30 20 DBED C=CCNC(=O)NC(=O)CN1CCN(c2nccn2C)CC1 340716594 WRKSRNCHNGRLIL-UHFFFAOYSA-N 306.370 -0.446 30 20 DBED CN(CCC#N)S(=O)(=O)NCCN1C(=O)CCCC1=O 342318041 JOVBVFKDOBQOHG-UHFFFAOYSA-N 302.356 -0.795 30 20 DBED CC(C)[C@H](C#N)NC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 347513282 JOCUFFIKPJOSNH-NSHDSACASA-N 315.333 -0.090 30 20 DBED COC(=O)CN(CC#N)C(=O)CSc1nnnn1C1CC1 348784878 PORIXFCGGIJDHQ-UHFFFAOYSA-N 310.339 -0.375 30 20 DBED N#CCNS(=O)(=O)CCCS(=O)(=O)NC1CC=CC1 349587194 COZLJRCFAKZBNI-UHFFFAOYSA-N 307.397 -0.543 30 20 DBED COC(=O)[C@@H](O)CNC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1 350703331 UKPZPXJKJUMENX-OLZOCXBDSA-N 301.302 -0.109 30 20 DBED N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@@H]2CCOC2)cc1 355386729 QVUWXWQTMYTFSQ-LLVKDONJSA-N 309.347 -0.258 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@H](C)[C@@H](O)C2)C1=O 357884932 ZOJMNTANAYSXKM-ZJUUUORDSA-N 309.322 -0.808 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N1CCOC[C@@]12CCOC2 367183262 BJQIAVALOIEFBJ-NEPJUHHUSA-N 303.384 -0.044 30 20 DBED C=CC[C@H](NC(=O)NC1CCN(S(C)(=O)=O)CC1)C(=O)O 400189386 LBNWEBSJBXIBGO-JTQLQIEISA-N 319.383 -0.261 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCN(CC(C)(C)O)CC1 407955311 JGDFAMYAZMMGBX-LBPRGKRZSA-N 318.443 -0.289 30 20 DBED N#CCN1CCN(C(=O)[C@@H]2COCCN2CC(F)F)CC1 408351087 BWWWLDMTXNEWDI-NSHDSACASA-N 302.325 -0.380 30 20 DBED N#CCCC[C@@H](N)C(=O)N1CCN(CC(=O)NC2CC2)CC1 424135370 MFFCXLOADUUOKE-CYBMUJFWSA-N 307.398 -0.570 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CCNC[C@H]2CCC)nn1 424542947 IXFJYWKEJZSGFI-CYBMUJFWSA-N 320.397 -0.319 30 20 DBED N#CCCNC(=O)NCCS(=O)(=O)N1CCSCC1 426419313 KLKDFSSUECSQRX-UHFFFAOYSA-N 306.413 -0.422 30 20 DBED C=CCNC(=O)NC(=O)CN1CCC(CS(C)(=O)=O)CC1 429252779 GPHDSXNRQRNXGO-UHFFFAOYSA-N 317.411 -0.245 30 20 DBED C#CCN1CCN(C(=O)CN2CCN3C(=O)CC[C@@H]3C2)CC1 490898590 LDHHGCNLVKNXOD-CQSZACIVSA-N 304.394 -0.930 30 20 DBED C#CCN1CCN(C(=O)CN2CCC[C@]23CCOC3=O)CC1 491040638 WDOIOQFXLOMVHR-MRXNPFEDSA-N 305.378 -0.455 30 20 DBED C#CCNC(=O)C1CCN(C(=O)NCCNC(=O)C2CC2)CC1 491200800 CLGOWBQHWQXPOV-UHFFFAOYSA-N 320.393 -0.316 30 20 DBED C#CCN(C)CCCNC(=O)N1C[C@@H](N)[C@H](c2cnn(C)c2)C1 491701606 FCPFVAUKAUXFSF-LSDHHAIUSA-N 318.425 -0.189 30 20 DBED C=CCOC[C@H](NC(=O)CCN1CCOC1=O)C(=O)OC 496479445 KCSAJDPHLZYMGJ-JTQLQIEISA-N 300.311 -0.311 30 20 DBED CCN1CCN(C(=O)CNC(=O)c2cnn(C)c2C#N)CC1 569696357 JCIUMGITOBASIW-UHFFFAOYSA-N 304.354 -0.814 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)NC[C@@](C)(CC(=O)O)C(=O)O 577223846 KNWLHZLNJBUJAN-GZMMTYOYSA-N 321.355 -0.380 30 20 DBED N#Cc1cncc(S(=O)(=O)NCc2nnnn2C2CC2)c1 589281267 RTJUQYIBXDSRIW-UHFFFAOYSA-N 305.323 -0.247 30 20 DBED C=CCn1cc(C(=O)NC(C(=O)OCC)C(=O)OCC)nn1 592576016 IVFYRFYLYCAWKS-UHFFFAOYSA-N 310.310 -0.311 30 20 DBED COCCN(CCC#N)C(=O)CN(C)S(=O)(=O)N(C)C 593452177 UDMUGSGWLAASQV-UHFFFAOYSA-N 306.388 -0.887 30 20 DBED COCCN(CCC#N)C(=O)C(=O)Nc1cncc(OC)n1 593595277 MKOCAFCPTFAXHP-UHFFFAOYSA-N 307.310 -0.188 30 20 DBED COC[C@H](NC(=O)C(=O)N1CCN(CCC#N)CC1)C(C)C 602247658 CYFVYQKEJZGHBX-ZDUSSCGKSA-N 310.398 -0.169 30 20 DBED CC(=O)NCC(=O)NCC(=O)N[C@@H](C)c1cccc(C#N)c1 610361678 DXEUYDNSBYBRFE-JTQLQIEISA-N 302.334 -0.012 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(C)CCCCN(C)C)C1=O 673839175 BGAZRROGXHEVMB-UHFFFAOYSA-N 324.381 -0.237 30 20 DBED CN(C)CC#CCNC(=O)c1c(Br)nnn1C 717654448 DLIRTPPKOSNAMP-UHFFFAOYSA-N 300.160 -0.128 30 20 DBED N#C[C@H]1COCCN1CN1C(=O)C(=O)N(C2CCCC2)C1=O 742167759 ILFMKJJMBJOCLB-NSHDSACASA-N 306.322 -0.098 30 20 DBED C#CCOCCOC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 762711544 DGIFYCVPDDUFRP-AAXDQBDMSA-N 307.302 -0.658 30 20 DBED C#CCOCCOC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 762714249 WWDJOWYEXWCQAX-UHFFFAOYSA-N 310.331 -0.323 30 20 DBED Cn1cc(C=NNC(=S)Nc2ccccn2)c(=O)n(C)c1=O 767804453 RZGDEIYWRNLLKG-UHFFFAOYSA-N 318.362 -0.201 30 20 DBED C#CCN1CCN(C(=O)Cn2nc3n(c2=O)CCCC3)CC1 771862627 CPUFHPAEMHQZGK-UHFFFAOYSA-N 303.366 -0.842 30 20 DBED C#C[C@@H](NC(=O)C(=O)Nc1cncnc1N(C)C)[C@H]1CCCO1 773793956 HIZAPTORMTZWCW-ZYHUDNBSSA-N 317.349 -0.222 30 20 DBED COCCN1C[C@@H](C(=O)NS(=O)(=O)CCCC#N)CC1=O 776122481 GFMFVSPACFOIFB-JTQLQIEISA-N 317.367 -0.769 30 20 DBED Cn1cnn(CC(=O)O[C@@H](C(N)=O)c2ccc(C#N)cc2)c1=O 781263243 JVIGHQVGDMQJBC-GFCCVEGCSA-N 315.289 -0.777 30 20 DBED C#CCOCCNC(=O)N1CCC(C(=O)NCCOC)CC1 784556966 KJVQRPKHCRBMBY-UHFFFAOYSA-N 311.382 -0.180 30 20 DBED C=CCNC(=O)[C@H](C#N)C(=O)CS(=O)(=O)N(CC)CC 784830674 AWSWRHDVFNHVGO-SNVBAGLBSA-N 301.368 -0.331 30 20 DBED N#Cc1cnn(CCOC(=O)[C@@H]2CCCCS2(=O)=O)c1N 791801085 XTLIRLFGQCTTRD-JTQLQIEISA-N 312.351 -0.153 30 20 DBED O=C(Cn1c(S)nc2ccccc2c1=O)NCC#CCO 819692613 RKGCVUDHBWLOJG-UHFFFAOYSA-N 303.343 -0.203 30 20 DBED C#CCN1CCC[C@H](NC(=O)C[C@@]2(C)CCS(=O)(=O)N2)C1 829582433 MHZRIVHSANVGDM-GXTWGEPZSA-N 313.423 -0.328 30 20 DBED C#Cc1cncc(C(=O)N2CCN(S(=O)(=O)NC)CC2)c1 846082999 ZYCVNSGGLREWDK-UHFFFAOYSA-N 308.363 -0.715 30 20 DBED C#CCN1CCN(C(=O)C2=C(C)N(C)c3nnnn3[C@@H]2C)CC1 847488947 HMQDVSIBPDNBHF-GFCCVEGCSA-N 315.381 -0.265 30 20 DBED C#CC[C@@H](CO)NC(=O)CSc1nnnn1CC(F)(F)F 854547424 UWEPQFXDMKSNQS-ZETCQYMHSA-N 323.300 -0.172 30 20 DBED C[C@@H](C#N)N(C)C(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C 891115463 AHTCGBSVQUFCFC-QMMMGPOBSA-N 303.322 -0.440 30 20 DBED CS(=O)(=O)CC(=O)NS(=O)(=O)c1ccc(C#N)cc1 920101070 WSLDVTXAIPIOAG-UHFFFAOYSA-N 302.333 -0.592 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)c3nnn(C)n3)C2)cc1 941969947 FHHYPOPJGDJAPQ-CYBMUJFWSA-N 324.344 -0.164 30 20 DBED Cc1ncnc(O)c1C(=O)N[C@@H]1CCN(C(=O)[C@H](C)C#N)C1 942232394 HSGGVMXVEGCSDT-PSASIEDQSA-N 303.322 -0.019 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CN2CCC(=O)NC2=O)C[C@H]1C 947899792 NIHMVXGVJKEKRR-CHWSQXEVSA-N 320.393 -0.079 30 20 DBED C[C@@H](C#N)C(=O)N1CC(N(C)C(=O)c2ccc(C(N)=O)cn2)C1 954662590 KLLICPTWEVYYJY-VIFPVBQESA-N 315.333 -0.377 30 20 DBED C=CCN1C[C@H](CNC(=O)c2ccnc3ccnn23)[C@@H](O)C1 958135552 PCWPQLPWBZDUIV-AAEUAGOBSA-N 301.350 -0.062 30 20 DBED N#CCN1C[C@@H](O)[C@H](CNC(=O)c2nc[nH]c3nccc2-3)C1 958220104 SOVAVSGIFXPUSA-MWLCHTKSSA-N 300.322 -0.544 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2ccnc(N(C)C)c2)C1 958453051 KCSKEFPTVLLGGG-KGLIPLIRSA-N 302.378 -0.197 30 20 DBED C=CCOc1cccnc1C(=O)NC[C@@H]1CN(CCO)C[C@@H]1O 958577592 LBLJOUNWLOUFQS-OLZOCXBDSA-N 321.377 -0.339 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cncs2)C1 958669290 CIHMBNYNFVPKMA-GUBZILKMSA-N 308.363 -0.054 30 20 DBED CN(C(=O)[C@@]1(F)CCOC1)[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 958931673 BNZAROSCRWMRKN-HEHGZKQESA-N 324.352 -0.442 30 20 DBED C[C@H](C#N)C(=O)N1CC2(C[C@H](NC(=O)c3ccnnc3)CO2)C1 965830082 SAFNJONFMMZLNS-PWSUYJOCSA-N 315.333 -0.264 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C2CC2)C[C@@H]1O 968348121 PSQYCAYINRULBW-RDBSUJKOSA-N 305.378 -0.818 30 20 DBED CC#CCN1CC[C@@H](C)[C@H](NC(=O)c2cn(C)c(=O)nc2O)C1 968644015 VSHYZQHPFYLRQK-DGCLKSJQSA-N 318.377 -0.051 30 20 DBED C#Cc1cncc(C(=O)N2CC[C@@H](NCc3nc(O)n[nH]3)C2)c1 969887574 CNIZOAIRABYLES-GFCCVEGCSA-N 312.333 -0.109 30 20 DBED CCn1nncc1C(=O)N1CC[C@@]2(CN(CC#N)CCO2)C1 972375267 XAJDODPZCZYOJM-CQSZACIVSA-N 304.354 -0.262 30 20 DBED CC(=O)N1CCC[C@@H]1C(=O)N1CC[C@@]2(CN(CC#N)CCO2)C1 972691673 GHKWMYFKMCJJIF-GDBMZVCRSA-N 320.393 -0.176 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)c3cn(C)nn3)C2)nc1 973232912 UIXCWPVFSJWQGU-HAQNSBGRSA-N 324.344 -0.118 30 20 DBED C#CCCN1C[C@H](NC(=O)CN2CCOCC2=O)C(C)(C)C1 974701594 QHUJUSQVXMVDJO-ZDUSSCGKSA-N 307.394 -0.305 30 20 DBED C=CCn1cc(C(=O)N[C@H]2[C@@H]3CN(C(=O)[C@@H](C)C#N)C[C@@H]32)nn1 976529633 IKZUOXFVROFRPA-MEWQQHAOSA-N 314.349 -0.190 30 20 DBED COCCn1nccc1C(=O)NCC1[C@H]2CN(CC#N)C[C@H]12 978342853 GHHJNZJYARUFMG-CHWSQXEVSA-N 303.366 -0.039 30 20 DBED C#CCN1C[C@H]2C(CNC(=O)c3ccc(=O)n(CC)n3)[C@@H]2C1 978870433 PFHPFOZRRFQAHL-STQMWFEESA-N 300.362 -0.196 30 20 DBED C#CCN[C@@H]1CCC[C@H](NC(=O)CN2CC(=O)N(C)C2=O)C1 981456064 IARVIROBRYRJAE-NEPJUHHUSA-N 306.366 -0.469 30 20 DBED C=C(Cl)CN[C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)[C@@H]1C 987194676 GHTMOZLYOIKNOP-NXEZZACHSA-N 314.773 -0.130 30 20 DBED C[C@@H]1C[C@@H](NCc2nc(=O)n(C)[nH]2)CN1C(=O)C#CC1CC1 988827293 RKHLAHCZACBDEY-ZYHUDNBSSA-N 303.366 -0.399 30 20 DBED N#Cc1cc(C(=O)NC2CN(C(=O)[C@H]3CCCC(=O)N3)C2)c[nH]1 990934669 FRYJQHJMSDAPAN-GFCCVEGCSA-N 315.333 -0.504 30 20 DBED CC#CCN1CCC[C@H](NC(=O)Cn2ncn(C)c2=O)[C@H]1C 993506313 DBAXNJDXIXTIIL-OLZOCXBDSA-N 305.382 -0.426 30 20 DBED CC1(C)CN(C(=O)[C@@H]2Cc3cncn3C(=O)N2)C[C@H]1NCC#N 996074756 NNWGQCMQGNPLEP-NWDGAFQWSA-N 316.365 -0.284 30 20 DBED C=CCn1cc(C(=O)N2CC(NC(=O)c3ccncn3)C2)nn1 998207447 ILRLWXOGYYAENN-UHFFFAOYSA-N 313.321 -0.492 30 20 DBED N#Cc1cc(C(=O)N2CCC[C@H](N[C@H]3CCNC3=O)C2)c[nH]1 998967968 DVLDQUVTHRFJEP-AAEUAGOBSA-N 301.350 -0.031 30 20 DBED C#CCN[C@@H]1CCCN(C(=O)[C@H]2CCc3nnnn3CC2)C1 1000250151 LSEPGDFMTQIXKI-QWHCGFSZSA-N 302.382 -0.161 30 20 DBED C=C(Cl)CN1CCC[C@@H](NC(=O)CN2CCNC(=O)C2)C1 1008161004 ALAUXDJSABQHFU-GFCCVEGCSA-N 314.817 -0.249 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2C(CNC(=O)[C@@H]3[C@H]4COC[C@H]43)[C@@H]2C1 1009389221 BYTNLGFEWDJPTQ-WYUMKKKJSA-N 303.362 -0.141 30 20 DBED C=CCN1CC[C@@H](N2CC[C@H](NC(=O)c3ncn(C)n3)C2)C1=O 1010880611 NRJVJFOFDBYBPM-NWDGAFQWSA-N 318.381 -0.594 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1[C@H]2CN(C(=O)C(F)F)C[C@H]12 1013320423 WEGRBALJPDTBJN-DCAQKATOSA-N 311.332 -0.078 30 20 DBED C=CCn1cc(C(=O)N2[C@H]3CC[C@H]2CN([C@H](C)C(N)=O)C3)nn1 1018038576 QYVIKOQYAUNKIT-WOPDTQHZSA-N 318.381 -0.373 30 20 DBED C[C@H](C#N)C(=O)N1CCC2(CN(C(=O)c3nnn(C)n3)C2)C1 1019294795 ZNKZXDOYKUQHNR-SECBINFHSA-N 303.326 -0.956 30 20 DBED Cc1nn[nH]c1C(=O)NC[C@H]1CN(C(=O)[C@H](C)C#N)CCCO1 1019636973 XNMUURGFZGUBQS-KOLCDFICSA-N 320.353 -0.380 30 20 DBED C=CCN1CC[C@H](N[C@H]2C[C@H](NC(=O)Cc3cc[nH]n3)C2)C1=O 1020041580 MXJPOFJVFIAHAT-IHRRRGAJSA-N 317.393 -0.024 30 20 DBED C#CCN1CCC(C(=O)N[C@H]2C[C@H](N[C@H](CC)C(N)=O)C2)CC1 1021090298 SGLZDZXJUCQXEL-RBSFLKMASA-N 320.437 -0.168 30 20 DBED C#CCN1CC[C@H]2[C@@H](CCCN2C(=O)CN2CC(=O)NC2=O)C1 1021689039 UUHCFGKPBRXSEE-STQMWFEESA-N 318.377 -0.516 30 20 DBED C=C(Cl)CN[C@H]1C[C@@H](NC(=O)CN2CCOCC2=O)C1 1022207559 SIZXMLHZFRHFSL-PHIMTYICSA-N 301.774 -0.166 30 20 DBED C=CCn1cc(C(=O)N[C@@H](C)[C@@H]2CCCN(CC(N)=O)C2)nn1 1025554503 FVBITYWPCHLYAM-NWDGAFQWSA-N 320.397 -0.220 30 20 DBED CS(=O)(=O)CCN1CC[C@@H](CNC(=O)c2ccc(C#N)[nH]2)C1 1028489788 BMRLZPWPFPAIKA-NSHDSACASA-N 324.406 -0.017 30 20 DBED CN(C[C@@H]1CCN(C(=O)C#CC2CC2)C1)[C@@H]1CCC(=O)NC1=O 1029735663 ROYXZWQTPLLSSA-UONOGXRCSA-N 317.389 -0.015 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)c3cc(OC)no3)C2)C1=O 1030236946 RZCKGCZZUIFOTP-LLVKDONJSA-N 320.349 -0.116 30 20 DBED C=C(Cl)CN1CC(CNC(=O)c2cc(=O)n3[nH]cnc3n2)C1 1032127695 DHMLBLOQDXWJHI-UHFFFAOYSA-N 322.756 -0.168 30 20 DBED N#CCN1CCO[C@@H](CNC(=O)[C@@H]2CCCc3nn[nH]c32)C1 1035491687 YLVHDAWOAFTNMF-WDEREUQCSA-N 304.354 -0.435 30 20 DBED N#CCN1CC[C@H]2CN(C(=O)Cn3ccc(O)nc3=O)CC[C@@H]21 1036764077 LDZATVGFUUMDKP-RYUDHWBXSA-N 317.349 -0.605 30 20 DBED C=C(C)CN1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1cc(=O)n2[nH]cnc2n1 1037673816 XZPSFBBEEGCLIP-SUZMYJTESA-N 314.349 -0.204 30 20 DBED CC[C@H]1CN(C(=O)CCn2ncn(C)c2=O)CC[C@H]1NCC#N 1037887756 RIYJOOQYARNWLP-QWHCGFSZSA-N 320.397 -0.288 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)c2ccc(O)nn2)C1 1041340315 GXNKMEOHKJVGMZ-UHFFFAOYSA-N 318.333 -0.711 30 20 DBED CC(C)(C)C(=O)C(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1042158741 ANWDIUWGALIXAG-UHFFFAOYSA-N 306.362 -0.296 30 20 DBED Cc1c[nH]nc1C(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042958189 GPLNCPZHHKEYLW-UHFFFAOYSA-N 302.334 -0.565 30 20 DBED O=C(C#CC1CC1)NCC1(O)CN(C(=O)[C@@]23COC[C@@H]2C3)C1 1042964263 BAWYWPSYYRYLEK-LRDDRELGSA-N 304.346 -0.874 30 20 DBED C#CCN1CC(N(C)C(=O)c2cn(C[C@H]3CCOC3)nn2)C1 1044106981 BKANUJSCZWVWEG-GFCCVEGCSA-N 303.366 -0.296 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)c3ccncn3)C2)nn1 1044117765 KXVVLXQEXZJZTR-NEPJUHHUSA-N 311.305 -0.882 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)c2c[nH]c(=O)cn2)C1 1044459772 CTTXCCROHOZYNB-UHFFFAOYSA-N 320.349 -0.715 30 20 DBED C=C[C@](C)(CC)C(=O)N1CC(O)(CNC(=O)c2nnn(C)n2)C1 1044935327 QOWUQDWOIXNWNJ-CYBMUJFWSA-N 322.369 -0.885 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)[C@H](OC)C(C)C)C1 1045734925 KOVVRLLCVSLZOL-CYBMUJFWSA-N 314.382 -0.451 30 20 DBED C=CCCC1(C(=O)NCC2(O)CN(C(=O)CC(=O)NC)C2)CC1 1045773085 WCABZDMVNSMKBK-UHFFFAOYSA-N 323.393 -0.442 30 20 DBED CN1CCO[C@@H](C(=O)N2CCN([C@H]3CCN(CC#N)C3)CC2)C1 1046014239 SAYYZILAXNILHP-LSDHHAIUSA-N 321.425 -0.941 30 20 DBED C#CCN1CC[C@H](N2CCN(C(=O)C[C@@H]3COC(=O)C3)CC2)C1 1046020100 NJJTWULHOMHWCQ-GJZGRUSLSA-N 319.405 -0.209 30 20 DBED C=CCn1cc(C(=O)N[C@]2(C)CCN(CC(=O)N(C)C)C2)nn1 1046681878 UQSPWCGQLCAHCW-OAHLLOKOSA-N 320.397 -0.254 30 20 DBED CC(C)C#CC(=O)N(C)[C@H]1CN(C(=O)[C@H](O)C(C)C)C[C@@H]1O 1048811115 NIPCDXIHASDMDV-KCQAQPDRSA-N 310.394 -0.307 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)[C@H]1CN(C(=O)[C@H](C)OC)C[C@@H]1O 1048852608 QHSFSSFTCABDSZ-CYDGBPFRSA-N 312.366 -0.910 30 20 DBED C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1ncn(C)c1=O 1049561625 OBJGYCPMGIFUOD-STQMWFEESA-N 303.366 -0.720 30 20 DBED C[C@@H](NC(=O)C#CC1CC1)[C@H]1CCN(C(=O)CCNC(N)=O)C1 1050702928 CMRCYMRZLAGSHD-YPMHNXCESA-N 320.393 -0.189 30 20 DBED C=CC(C)(C)C(=O)N1CCO[C@H](CNCc2nc(=O)n(C)[nH]2)C1 1051755542 IJUFBTDBSQZMKA-LLVKDONJSA-N 323.397 -0.362 30 20 DBED CNC(=O)CN1CCN([C@H]2CCN(C(=O)[C@@H](C)C#N)C2)CC1 1051998023 MRFQJVUBFOWBLZ-STQMWFEESA-N 307.398 -0.889 30 20 DBED C#CCCN1CCN([C@@H]2CCN(C(=O)c3ncn(C)n3)C2)CC1 1052022923 OWRHNOWQPQDNJE-CQSZACIVSA-N 316.409 -0.330 30 20 DBED Cc1nn[nH]c1C(=O)NCC1CC(N=c2cc[nH]c(C#N)n2)C1 1052059151 YDDPODRTKLPFLT-UHFFFAOYSA-N 312.337 -0.183 30 20 DBED C=CCOCC(=O)N1C[C@H](CNC(=O)Cn2nccn2)[C@@H](C)C1 1052221302 PJNHKPYLTJNATK-STQMWFEESA-N 321.381 -0.309 30 20 DBED CN1CC[C@@H](C(=O)N[C@@H]2CCCN(CC#N)CC2)S1(=O)=O 1052785660 KATUCDOEUHELJR-NEPJUHHUSA-N 314.411 -0.485 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)c1ccc(O)nn1)CCO2 1053143649 OPRBPFUHZBYRDT-UHFFFAOYSA-N 302.334 -0.268 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)[C@H]1COCCN1C)CCO2 1053228789 TWRKMPGUUQTBCH-CQSZACIVSA-N 307.394 -0.747 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2CN(C(=O)c3cnn[nH]3)C[C@@H]2C1 1055339582 DUYIUNHNWMFNMF-SDDRHHMPSA-N 317.349 -0.627 30 20 DBED C=CCOCC(=O)N[C@]1(CO)CCCN(C(=O)[C@@H](C)C#N)C1 1055831355 LYDJYRZYWGKDEB-SWLSCSKDSA-N 309.366 -0.182 30 20 DBED C[C@@]1(C(=O)N2CCN(c3ccnc(C#N)n3)CC2)CNC(=O)C1 1055962984 PXYXAAQQVMYCLH-HNNXBMFYSA-N 314.349 -0.477 30 20 DBED N#Cc1cnc(N2C[C@H]3[C@H](NC(=O)Cc4cncnc4)[C@H]3C2)cn1 1056192213 XALTWDRDFANONM-VIKVFOODSA-N 321.344 -0.068 30 20 DBED N#Cc1cncc(N2C[C@H]3C(NC(=O)[C@@]45COC[C@@H]4C5)[C@@H]3C2)n1 1056450613 BUJUMUUSSSQUSV-YVYGNJPRSA-N 311.345 -0.064 30 20 DBED CN(c1cncc(C#N)n1)[C@@H]1CCN(C(=O)CS(C)(=O)=O)C1 1056867516 VRNHBCGNIAUIIS-LLVKDONJSA-N 323.378 -0.570 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)[C@H](OC)C1CC1 1057193731 ORBQJEQIVOCYNI-CQSZACIVSA-N 314.382 -0.449 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)[C@@H]1CCN(C)C1=O 1057445079 GQUCWPZLWHGGLP-ZDUSSCGKSA-N 323.393 -0.795 30 20 DBED C=CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)c1ncccn1 1057921456 HZKYSYCJXNWDDR-LBPRGKRZSA-N 322.365 -0.382 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)Cc1cncn1C 1058159665 SDZBOGWUYQUWTE-UHFFFAOYSA-N 308.382 -0.134 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)[C@@H]1CCO[C@H]1C1CC1 1058341528 OVZXPKQZAXDNRV-YUTCNCBUSA-N 323.393 -0.102 30 20 DBED C=C[C@H](C)[C@@H](C)C(=O)N(CCO)CCNC(=O)c1cn(C)nn1 1058434936 AOMVCVSAYYNOOR-NWDGAFQWSA-N 323.397 -0.176 30 20 DBED Cn1c(C(=O)N[C@H]2CCN(c3cnc(C#N)cn3)C2)cnc1O 1058507217 ARKGJDFRIKUJGI-VIFPVBQESA-N 313.321 -0.204 30 20 DBED CC(C)(C)C#CC(=O)NCCN(CCO)C(=O)C1(C(N)=O)CC1 1058636076 VLVPHCIJFVFWRN-UHFFFAOYSA-N 323.393 -0.762 30 20 DBED CCc1ncncc1C(=O)NCCN(CCO)C(=O)[C@H](C)C#N 1058659396 YHDKNEODSNOBPY-LLVKDONJSA-N 319.365 -0.251 30 20 DBED N#Cc1nc(=N[C@H]2C[C@H](NC(=O)C[C@H]3COC(=O)C3)C2)cc[nH]1 1059195215 WZYXRBRNRWUHRX-GMTAPVOTSA-N 315.333 -0.218 30 20 DBED CC(=O)N1CC(C(=O)N2CC[C@@H](CCNC(=O)[C@H](C)C#N)C2)C1 1059543733 UMXVYCDCSQERBS-DGCLKSJQSA-N 320.393 -0.021 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](CCNC(=O)C(N)=O)C1 1060420830 WDBDLMSRQNCCOU-TUAOUCFPSA-N 309.366 -0.582 30 20 DBED C=CCOCC(=O)NCC[C@@H]1CCN(C(=O)Cc2nc[nH]n2)C1 1060428142 BRTBIMKXOFTFRH-GFCCVEGCSA-N 321.381 -0.095 30 20 DBED C#CCCCC(=O)NC[C@H]1COCCN1C(=O)CN(C)C(C)=O 1061535295 BXLPOLWFAGTHAD-AWEZNQCLSA-N 323.393 -0.388 30 20 DBED Cc1ccnc(C(=O)N2CCOC[C@H]2CNC(=O)[C@@H](C)C#N)n1 1061847141 JJPZWNIHSDYXBR-CMPLNLGQSA-N 317.349 -0.098 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)CCCC(N)=O 1061852568 JWKKKMXIJLMXFO-QWRGUYRKSA-N 310.354 -0.855 30 20 DBED C#CCNC(=O)CC(=O)NCC1(NC(=O)[C@@H](C)OCC)CCC1 1062829560 RONWFGXVALZNJL-GFCCVEGCSA-N 323.393 -0.294 30 20 DBED C=CCOCC(=O)N1CCO[C@H](CNC(=O)Cc2ccon2)C1 1064976810 QEQRFMZKEGLCJR-CYBMUJFWSA-N 323.349 -0.237 30 20 DBED N#Cc1nc(=NC[C@@H]2CCCN2C(=O)[C@H]2CCNC2=O)cc[nH]1 1064983930 JUVWNRVAMMBYAI-QWRGUYRKSA-N 314.349 -0.691 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)CNC(=O)NC)CCO1 1065249482 MKHBMVGQRLACQA-LBPRGKRZSA-N 324.381 -0.938 30 20 DBED C=C(C)CCC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)CCO1 1065400435 DTLBBCFCRDMYOC-OLZOCXBDSA-N 323.393 -0.035 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)[C@H]2CCNC2=O)CCO1 1065423122 WXBURBHPRWHVBN-STQMWFEESA-N 321.377 -0.730 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC[C@@H](NC(=O)CNC(N)=O)CC1 1065828850 OFCHCMOHOQTVGG-NWDGAFQWSA-N 324.381 -0.810 30 20 DBED Cc1nsc(N2C[C@@H]3CN(C(=O)C(N)=O)C[C@@H]3C2)c1C#N 1066057915 HCNSWZOORJRYEX-DTORHVGOSA-N 305.363 -0.297 30 20 DBED C=CCOCC(=O)N1CCC[C@@H](NC(=O)[C@@H]2CCNC2=O)CC1 1066369263 NSCKYUIMFITSBJ-CHWSQXEVSA-N 323.393 -0.178 30 20 DBED C[C@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1Nc1cnc(C#N)cn1 1067048578 CRFFBPMPEZXFFD-GXSJLCMTSA-N 323.378 -0.348 30 20 DBED C[C@H]1CN(C(=O)Cn2cncn2)C[C@@H]1N=c1cc[nH]cc1C#N 1067098228 DSWRUTDVDLHXAM-FZMZJTMJSA-N 311.349 -0.074 30 20 DBED C=CCCC(=O)N1CCOC2(C1)CN(C(=O)Cn1cncn1)C2 1068348859 ZLAUTHQOZZYQTP-UHFFFAOYSA-N 319.365 -0.316 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1COC2(C1)CN(C(=O)c1ccon1)C2 1069004081 SVKODTJTNLEYPW-VHSXEESVSA-N 304.306 -0.066 30 20 DBED C=CCN[C@@H]1CN(C(=O)c2[nH]nnc2C)C[C@@H]1n1ccnn1 1070248361 WQEVBIHGDISUKQ-MNOVXSKESA-N 302.342 -0.454 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCCN(C(=O)[C@H](C)OC)C1 1070494389 UWAJSNDKVXQQMB-NWDGAFQWSA-N 309.366 -0.732 30 20 DBED Cn1cnc([C@@H]2CN(C(=O)Cn3nccn3)C[C@H]2NCC#N)c1 1070497858 PHSDCYXKYOLIJT-WCQYABFASA-N 314.353 -0.881 30 20 DBED N#CCN1CCOC[C@H]1c1n[nH]c(CNC(=O)c2cc[nH]c2)n1 1070585096 QHKTXXZYQKWVQI-NSHDSACASA-N 315.337 -0.040 30 20 DBED Cc1c[nH]c(C(=O)N2CCC(=O)NCCN(CC#N)CC2)n1 1071007804 XJSFWCABRRRIOO-UHFFFAOYSA-N 304.354 -0.494 30 20 DBED C#CCN1CC[C@@]2(C1)CN(C(=O)c1ncn(C)n1)C[C@H](C)O2 1071165139 XYOBIXAHDHSMGP-SWLSCSKDSA-N 303.366 -0.246 30 20 DBED CNC(=O)NCC(=O)N[C@@H]1CN(C(=O)C#CC(C)C)C[C@H]1C 1072053257 VDZKRSKGNDNABI-VXGBXAGGSA-N 308.382 -0.462 30 20 DBED C=CCN1CCCO[C@H](CNC(=O)[C@H]2CCS(=O)(=O)N2)C1 1073893677 YVPMJOBTLPWJTR-VXGBXAGGSA-N 317.411 -0.929 30 20 DBED CC(C)C#CC(=O)NCC[C@H](C)NC(=O)[C@@H]1COCCN1C 1076411414 HBADFSUUVPSULU-KBPBESRZSA-N 309.410 -0.013 30 20 DBED C#CCO[C@@H](C)C(=O)NCC[C@H](C)NC(=O)[C@@H]1CCC(=O)N1C 1076511766 FKAOHLATZGUDTO-AVGNSLFASA-N 323.393 -0.344 30 20 DBED CC#CCN1C[C@@H]2CCN(C(=O)C[C@@H]3CC(=O)NC3=O)[C@@H]2C1 1076649032 SOWNYWNRWICSKC-RWMBFGLXSA-N 303.362 -0.405 30 20 DBED Cn1cc(CN2C[C@@H](O)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)cn1 1076897638 YODAXYUHZILOGH-ZIAGYGMSSA-N 314.349 -0.405 30 20 DBED C[C@@H](CCNC(=O)[C@@H](C)C#N)NC(=O)c1ccc(C(N)=O)nc1 1078134696 GLOVCAZMPPTILQ-UWVGGRQHSA-N 317.349 -0.035 30 20 DBED COCCn1cc(C(=O)N[C@@H](C)CCNC(=O)[C@H](C)C#N)nn1 1078137890 LSPUJBLLZRHEHE-MNOVXSKESA-N 322.369 -0.291 30 20 DBED CN1C(=O)CN(CC(=O)N2C[C@H]3CC[C@H]2[C@H](NCC#N)C3)C1=O 1079087065 HNGMBCZQGGMFGF-TUAOUCFPSA-N 319.365 -0.627 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CO)(NC(=O)Cc2cnc[nH]2)CC1 1081030443 MLLPGRPONKGSBF-NSHDSACASA-N 319.365 -0.418 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)c2ccnn2C)C[C@@H]1O 1081441019 CLEJODUZFBCHFH-JSGCOSHPSA-N 318.377 -0.227 30 20 DBED C=CCCOCC(=O)NC[C@H]1CN(C(=O)c2cnco2)C[C@H]1O 1081569054 KDFWKVCEMVXWSS-NWDGAFQWSA-N 323.349 -0.184 30 20 DBED C#CCCCC(=O)N1C[C@H](CNC(=O)Cc2cnoc2)[C@@H](O)C1 1081676501 DXGLIOVIUHCYQR-KBPBESRZSA-N 319.361 -0.044 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@H]2C[C@H](OC)CN2C(C)=O)[C@H](OC)C1 1081988025 QFPSRKZSHXACBB-GBJTYRQASA-N 323.393 -0.929 30 20 DBED C=CCN1C[C@@H](NC(=O)c2nc3ncccn3n2)[C@H](OC)C1 1082255722 YHWFBRRJRYCLEV-GHMZBOCLSA-N 302.338 -0.261 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@H]1CCc2nc[nH]c2C1 1082311369 IWTNCUGVQHAHFB-ZLKJLUDKSA-N 303.366 -0.146 30 20 DBED C=CCN1CC[C@@H](N2C[C@H](O)[C@H](NC(=O)C(C)(C)F)C2)C1=O 1083305670 ZNVWEUMYDXCIGI-UTUOFQBUSA-N 313.373 -0.317 30 20 DBED CCC(=O)N1CCC[C@@H](C(=O)N[C@@H]2CN(CC#N)C[C@@H]2O)C1 1083484156 XEXNVVZIRPGSSB-UPJWGTAASA-N 308.382 -0.680 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)c2ccc3nn[nH]c3n2)C1 1083506683 VDDUTWQEESJVKY-MNOVXSKESA-N 322.756 -0.120 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCc3nccn3C2)C1 1083583636 MHKXUVJIWJTDDZ-MJBXVCDLSA-N 302.378 -0.370 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)c2ccc3nnnn3c2)C1 1083639501 SQFRRJSQJDBLRV-NEPJUHHUSA-N 302.338 -0.525 30 20 DBED N#CCN1C[C@H]2CC[C@H]1[C@H]1CN(C(=O)C3(C(N)=O)CC3)C[C@@H]21 1087384445 HEKUCWAIAIWLHT-VOAKCMCISA-N 302.378 -0.056 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)CNC(N)=O)N=c1cc[nH]c(C#N)n1 1089216059 UCUWBEWNUPKFHQ-DTWKUNHWSA-N 305.342 -0.866 30 20 DBED Cc1cc(C#N)nc(N2CC=C(CCNC(=O)C(N)=O)CC2)n1 1089861783 FUFHCKHKEAKIMB-UHFFFAOYSA-N 314.349 -0.215 30 20 DBED C[C@@H](CC(N)=O)C(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@H]1O 1090513232 WPTTZBWYWYKWCC-MVWJERBFSA-N 317.349 -0.870 30 20 DBED CN(C)CCCC(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1O 1090522507 LQHGDTJHEMKHNR-CHWSQXEVSA-N 318.381 -0.644 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2c[nH]c(C(N)=O)c2)[C@H](O)C1 1090813790 WCOQUGISSOSLFK-WCQYABFASA-N 304.350 -0.698 30 20 DBED CCOCCCC(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@@H]1O 1091081978 UUJRJAQZBJLRLP-OLZOCXBDSA-N 319.365 -0.169 30 20 DBED N#Cc1cnc(N2C[C@@H]3C(NC(=O)CC(N)=O)[C@H]3C2)c(F)c1 1093227584 BSJCPIGINYTKLT-IUCAKERBSA-N 303.297 -0.481 30 20 DBED N#Cc1cncc(N2C[C@@H]3C(NC(=O)CCCC(N)=O)[C@H]3C2)n1 1093279439 VIUOGRIRIBKJJF-QWRGUYRKSA-N 314.349 -0.445 30 20 DBED N#Cc1cncc(NCCNC(=O)[C@H]2CCS(=O)(=O)C2)n1 1093978007 KYFSJJNOCDZXRF-VIFPVBQESA-N 309.351 -0.689 30 20 DBED C[C@@H]1CN(C)C[C@H](C(=O)NCCNc2nccnc2C#N)O1 1094226696 ZUWISUSWVSMKCA-ZYHUDNBSSA-N 304.354 -0.405 30 20 DBED CN(CCCNC(=O)[C@H]1CCNC(=O)C1)c1cncc(C#N)n1 1095515950 GJOGEHGTCRVQTM-NSHDSACASA-N 316.365 -0.183 30 20 DBED CN(CCCNC(=O)C[C@H]1CCNC1=O)c1cncc(C#N)n1 1095654643 ANJDCFIQHIEMFD-LLVKDONJSA-N 316.365 -0.183 30 20 DBED CN(CCCNC(=O)c1c[nH]c(=O)cn1)c1cnc(C#N)cn1 1095715507 QBQMHOVBTQZYPK-UHFFFAOYSA-N 313.321 -0.312 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@H](C)Nc1nccn2nnnc12 1097794073 JCEZPTXGUTURHL-TVQRCGJNSA-N 305.342 -0.237 30 20 DBED C[C@H](CNC(=O)[C@H]1CC(=O)N(C)C1)N=c1cc[nH]cc1C#N 1098346338 OPHAPCKRXBEDRU-MNOVXSKESA-N 301.350 -0.230 30 20 DBED C#CCN(CCO)C1CCN(C(=O)[C@H](OC)[C@@H]2CCOC2)CC1 1098442735 LOLZSKZCNATUTB-GDBMZVCRSA-N 324.421 -0.044 30 20 DBED CN(C)C(=O)CC(=O)N1CC[C@@H](n2cc(CNCC#N)nn2)C1 1098746188 RMVPEQJXYCOFRI-GFCCVEGCSA-N 319.369 -0.857 30 20 DBED C[C@@H](CCNC(=O)[C@H]1CCNC(=O)C1)N=c1cc[nH]c(C#N)n1 1098958476 JWRGFGDBGLYEIT-QWRGUYRKSA-N 316.365 -0.397 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)Nc1nccc(OC)n1 1098982829 BEAVRMLYIRQVNH-NSHDSACASA-N 319.365 -0.069 30 20 DBED C#CCOCCC(=O)N1C[C@H]2CC[C@H]1[C@@H]1CN(CC(N)=O)C[C@H]21 1099480227 CEQHOACPGHFDGI-TUVASFSCSA-N 319.405 -0.320 30 20 DBED C[C@@H](CCNC(=O)[C@@H]1CNC(=O)N1)Nc1cncc(C#N)n1 1099682781 OYBUGAXRJYOGKY-WPRPVWTQSA-N 303.326 -0.664 30 20 DBED CCn1ncc(C(=O)N[C@@H]2CCN(CC#CCOC)C[C@@H]2O)n1 1099802038 OHWKHEVMSDIDMP-OCCSQVGLSA-N 321.381 -0.887 30 20 DBED C#CCCCC(=O)N[C@H]1CCN(CC(=O)NCC#C)C[C@H]1O 1099804050 HDZGSJHFKVKIMD-UONOGXRCSA-N 305.378 -0.909 30 20 DBED Cn1ncnc1CN1CC[C@@H](NC(=O)C#CC2CC2)[C@H](O)C1 1099826724 PAQNXPGZGHMORD-CHWSQXEVSA-N 303.366 -0.720 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CCc2cnn(C)c2)[C@H](O)C1 1100124458 IHQIZXTXJSTTLH-HUUCEWRRSA-N 304.394 -0.073 30 20 DBED N#CCNC(=O)CNC1CC(CNC(=O)c2ccc(F)cn2)C1 1100261602 GDDXEKGMYCZIJI-UHFFFAOYSA-N 319.340 -0.042 30 20 DBED CN(CCNC(=O)[C@H]1CC[C@@H]1C(N)=O)c1nccnc1C#N 1100268634 DWJMSATYTTVDSW-UWVGGRQHSA-N 302.338 -0.588 30 20 DBED CCc1nc(C#N)cc(N(C)CCNC(=O)[C@H]2CCNC2=O)n1 1100270204 KAQHLFUXYMEQOS-NSHDSACASA-N 316.365 -0.401 30 20 DBED CCNC(=O)CC(=O)NC[C@@H]1CCN(c2cncc(C#N)n2)C1 1100975576 KAYKKUQDCINVCV-NSHDSACASA-N 316.365 -0.183 30 20 DBED C[C@H](CC(N)=O)C(=O)NC[C@@H]1CCN(c2cncc(C#N)n2)C1 1101035347 CZZGKTGUERCFIN-MNOVXSKESA-N 316.365 -0.198 30 20 DBED COC[C@H](OC)C(=O)NC[C@H]1CCN(c2nccnc2C#N)C1 1101050596 LVZZWWQUXNQNIB-YPMHNXCESA-N 319.365 -0.048 30 20 DBED C=CCNC(=O)NC(=O)CN1C[C@@H]2CN(C(C)=O)C[C@]2(C)C1 1101099884 DVOCOHFFIQATTJ-DOMZBBRYSA-N 308.382 -0.202 30 20 DBED CCCN(CCNC(=O)[C@@H]1CCC(=O)N1)c1cnc(C#N)cn1 1101163519 TVYYOORIFLPIOV-LBPRGKRZSA-N 316.365 -0.041 30 20 DBED CC#CCN1C[C@@H](C)[C@H](CNC(=O)C[C@@H]2NC(=O)NC2=O)C1 1102057555 SMDRBVQVKQQXET-UTUOFQBUSA-N 306.366 -0.708 30 20 DBED CNC(=O)NCC(=O)N(C)[C@@H]1CCN(c2nccnc2C#N)C1 1102766567 DWYOGHGMZINZHV-SNVBAGLBSA-N 317.353 -0.686 30 20 DBED C#CCOCCC(=O)NCC[C@@H]1CN([C@H]2CCNC2=O)C[C@H]1C 1102972580 PTVLVMXICUMSAT-KFWWJZLASA-N 321.421 -0.011 30 20 DBED CC[C@@H](CNC(=O)[C@@H]1CN(C)CCO1)Nc1ccc(C#N)nn1 1103032554 LOOWDOMRSQXUNE-AAEUAGOBSA-N 318.381 -0.014 30 20 DBED CC[C@@H](CNC(=O)Cn1ncnn1)Nc1nc(C)cc(C#N)n1 1103207798 MEDMMBOIVDJLAC-JTQLQIEISA-N 315.341 -0.350 30 20 DBED C[C@@H]1CN(C(=O)[C@H]2CCCO2)C[C@H]1CCNCC(=O)NCC#N 1103853212 XYHIAWMSHACGOY-MGPQQGTHSA-N 322.409 -0.121 30 20 DBED C[C@H](CNC(=O)c1nnn(C)n1)CNc1ccc(C#N)cn1 1104181962 OQTCVXZBTMCCRQ-VIFPVBQESA-N 300.326 -0.045 30 20 DBED COCC#CCNCC[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)C[C@H]1C 1104602524 BANZFJVZBCLHKN-MCIONIFRSA-N 322.409 -0.608 30 20 DBED C[C@@H]1CN(C(=O)c2cnon2)C[C@H]1CCNCC(=O)NCC#N 1104817066 VVQYXKCSCFRHLP-GHMZBOCLSA-N 320.353 -0.603 30 20 DBED CC(C)[C@H](CNC(=O)Cn1cnnn1)Nc1nccnc1C#N 1105105671 BCZSEYONLZZOJW-NSHDSACASA-N 315.341 -0.412 30 20 DBED Cc1ccnc(C(=O)N2CC(n3cc(CNCC#N)nn3)C2)n1 1105224124 YJMLTSXYUZYGQR-UHFFFAOYSA-N 312.337 -0.313 30 20 DBED CN(CCN(C)c1ncccc1C#N)C(=O)[C@@H]1COC(=O)N1 1105393001 GCXZJVQLCQQZDS-NSHDSACASA-N 303.322 -0.044 30 20 DBED COCCCC(=O)NC[C@@H](O)CN=c1cc(C)[nH]cc1C#N 1105722756 XMFAVWMXEXCGMS-ZDUSSCGKSA-N 306.366 -0.001 30 20 DBED N#Cc1cnc(NC[C@H](O)CNC(=O)Cc2cc[nH]n2)c(F)c1 1105763039 YMPCGAXOERUWLU-LLVKDONJSA-N 318.312 -0.053 30 20 DBED Cc1cc(C(=O)NC[C@H](O)CNc2cnc(C#N)cn2)ncn1 1105789398 WKVDDSXDPFJPQI-LLVKDONJSA-N 313.321 -0.351 30 20 DBED Cc1cc(=NC[C@H](O)CNC(=O)Cn2ccnc2)c(C#N)c[nH]1 1105882377 FWZUDIAAEBZBGZ-ZDUSSCGKSA-N 314.349 -0.531 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H](O)CNc1cnc(C#N)cn1 1105970588 JZDBKNLEFSYLBR-PWSUYJOCSA-N 303.322 -0.724 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)[C@H]2CCC(=O)NC2)cn1 1106170681 VNXFACHHHPABLN-GXFFZTMASA-N 317.349 -0.632 30 20 DBED C[C@H](CCNc1cncc(C#N)n1)NC(=O)[C@@H]1COC(=O)N1 1106314018 UPXABTWNBKJXGV-SCZZXKLOSA-N 304.310 -0.237 30 20 DBED C[C@@H]1CN(C(=O)c2ccncn2)C[C@H]1CNCC(=O)NCC#N 1106785891 IHHGEBZWZAAUSW-VXGBXAGGSA-N 316.365 -0.586 30 20 DBED Cc1conc1C(=O)N1C[C@@H](C)[C@H](CNCC(=O)NCC#N)C1 1106840375 KIONCVAHCKGKHP-ZYHUDNBSSA-N 319.365 -0.080 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)[C@@]1(C)CCNC1=O 1106957570 FSSPYXYFMFVCTQ-HNNXBMFYSA-N 316.365 -0.443 30 20 DBED COCCOCCC(=O)NCc1cn(C2CN(CC#N)C2)nn1 1107240908 IVZLYRUDEDMICV-UHFFFAOYSA-N 322.369 -0.672 30 20 DBED CC(=O)N1CC(C(=O)N[C@H](C)CNc2nccnc2C#N)C1 1107695299 BQCIPMZVQGESQX-SECBINFHSA-N 302.338 -0.257 30 20 DBED C[C@@H](C(N)=O)N1CCO[C@](C)(CNC(=O)c2ccc(C#N)[nH]2)C1 1107876406 JJTRUGIXZRRLTA-ZUZCIYMTSA-N 319.365 -0.419 30 20 DBED C[C@H](CC(=O)N[C@H](C)CNc1nccnc1C#N)NC(N)=O 1107950705 SBUPTGVWPCBHOL-RKDXNWHRSA-N 305.342 -0.288 30 20 DBED Cn1ccc(=O)c(C(=O)NC[C@@]2(C)CN(CC#N)CCO2)c1 1108064587 KEZPLKBNIXJNGB-HNNXBMFYSA-N 304.350 -0.270 30 20 DBED C[C@]1(CNC(=O)c2cc(C(N)=O)ccn2)CN(CC#N)CCO1 1108448890 DPFWHHIGJMLYAW-HNNXBMFYSA-N 317.349 -0.475 30 20 DBED C[C@@H](CN(C)c1ccc(C#N)nn1)NC(=O)[C@H]1CCNC(=O)C1 1108895471 WFPSEQGPNNORGK-QWRGUYRKSA-N 316.365 -0.185 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H](C)CN(C)c1nccn2nnnc12 1108923007 GUFMDZOUWVAUQB-HZMBPMFUSA-N 319.369 -0.213 30 20 DBED C[C@@H](CN(C)c1nccnc1C#N)NC(=O)[C@@H]1CC(=O)N(C)C1 1109296233 UDJAPKVGWYQWRM-WDEREUQCSA-N 316.365 -0.233 30 20 DBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1[nH]nnc1C 1109587372 DYUZZKVHSKSSFN-WOPDTQHZSA-N 318.381 -0.250 30 20 DBED CC(=O)NCC(=O)N[C@@H](CN=c1cc[nH]cc1C#N)C1CC1 1109781232 OOKWUYWPXYJODA-AWEZNQCLSA-N 301.350 -0.182 30 20 DBED COC[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1110380324 RMCPQVINHBLCFP-LPWJVIDDSA-N 308.382 -0.370 30 20 DBED CO[C@H](C)C(=O)NC[C@@]1(O)CCN(c2nccnc2C#N)C1 1111027029 ZCTULCVCXWUNRH-YGRLFVJLSA-N 305.338 -0.559 30 20 DBED C=C[C@](C)(O)CC(=O)N(C)[C@H]1CN(c2cc(F)ncn2)C[C@@H]1O 1111180480 ZLZBVVHZFIGCIT-PGUXBMHVSA-N 324.356 -0.049 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNc1ncnc2c1nnn2C 1111435914 JPWPVKXSMJPSGY-SECBINFHSA-N 318.341 -0.849 30 20 DBED CN1CC[C@H](C(=O)N(CCO)CCNc2cnc(C#N)cn2)C1 1111475561 UXDQSUUWUIVLSI-LBPRGKRZSA-N 318.381 -0.467 30 20 DBED CN(C)CCC(=O)NC[C@H]1CN(c2ncccc2C#N)C[C@@H]1O 1112754777 GTPOVHNFRLMISL-KBPBESRZSA-N 317.393 -0.182 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)c2cc3n(n2)CCC3)CC1 1112929900 TVZYRPFHFWCLQW-UHFFFAOYSA-N 316.365 -0.773 30 20 DBED C[C@H](NC(N)=O)C(=O)NC[C@@H](C)N(C)c1nccnc1C#N 1113577567 GHHUPXWKAUXNQM-BDAKNGLRSA-N 305.342 -0.654 30 20 DBED C=CCCOCC(=O)N1CCN([C@@H]2CCC(=O)NC2=O)CC1 1113709487 SIJKSTKARUWUKH-GFCCVEGCSA-N 309.366 -0.472 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)c3ccccn3)[C@@H]2C1 1113775137 PDZLOSYOAZZHDG-YNEHKIRRSA-N 312.373 -0.121 30 20 DBED C=CCCC(=O)NC1[C@H]2CN(CCN(C)S(C)(=O)=O)C[C@H]12 1114019910 CKGUVXXSHSQLMS-RYUDHWBXSA-N 315.439 -0.110 30 20 DBED C=CCOCC(=O)NC1[C@H]2CN(CCCS(C)(=O)=O)C[C@H]12 1114050595 GBUHTDBPRGGWPK-RYUDHWBXSA-N 316.423 -0.330 30 20 DBED C=CCOCCN1C[C@H]2[C@H](NC(=O)[C@H]3CCCC(=O)N3)[C@H]2C1 1114445719 WAZVWCJLMQFFFQ-COMQUAJESA-N 307.394 -0.096 30 20 DBED N#Cc1ccc(N2C[C@@H]3C(CNC(=O)Cn4cnnn4)[C@H]3C2)nc1 1114509282 WPJDTADSWIFSIS-CHWSQXEVSA-N 324.348 -0.562 30 20 DBED C[C@@H]1C[C@@H](CN=c2cc[nH]c(C#N)n2)CN1C(=O)CNC(N)=O 1114664266 PDQAVMWADHHDRT-ZJUUUORDSA-N 317.353 -0.913 30 20 DBED CCn1cnc(C(=O)NC2[C@H]3CN(CC(=O)NCC#N)C[C@H]23)c1 1115128678 QDIROYNOIOJQAL-QWRGUYRKSA-N 316.365 -0.797 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)[C@@H](CC(C)C)C(N)=O)[C@H]2C1 1115360566 JPLNQYRYXOFKFV-BYNSBNAKSA-N 321.421 -0.170 30 20 DBED COc1cccnc1CNC(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1118162695 RKHROTKSRZSGAE-HNNXBMFYSA-N 318.333 -0.417 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H](O)C2)CCN1C1CC1 1119010665 PBNGCLKZSOSNFJ-QWHCGFSZSA-N 306.366 -0.832 30 20 DBED C#C[C@@H](NC(=O)C(=O)N1[C@H]2CC[C@H]1CC(=O)NC2)[C@@H]1CCCO1 1119140260 CDXDDAITDNYCHT-RVMXOQNASA-N 319.361 -0.837 30 20 DBED C#CCNC(=O)CN1CCN(c2nccn3c(C)nnc23)CC1 1120771644 SUJMLKBLVWPQQR-UHFFFAOYSA-N 313.365 -0.696 30 20 DBED Cc1ncncc1C(=O)NC[C@@H](CO)Nc1nccnc1C#N 1121085796 BVYITOZWIMEMKV-JTQLQIEISA-N 313.321 -0.351 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@H](CO)Nc1cc(C)nc(CO)n1 1121406307 SSHWXSBNNXNYEK-ABAIWWIYSA-N 324.381 -0.507 30 20 DBED Cc1nsc(N[C@@H](CO)CNC(=O)c2cnn(C)n2)c1C#N 1121771886 YUBUGOUKLLBBHI-MRVPVSSYSA-N 321.366 -0.346 30 20 DBED Cc1ncc(C(=O)NC[C@@H](CO)Nc2cncc(C#N)n2)n1C 1122404710 BKQREFUUZRFWOP-NSHDSACASA-N 315.337 -0.407 30 20 DBED CCOCCCNC(=O)[C@@H](C#N)C(=O)c1cn(C)c(=O)nc1O 1122707609 LYDSXFDVQOAIGS-VIFPVBQESA-N 322.321 -0.649 30 20 DBED CN(C[C@@H](O)CNc1cnc(C#N)cn1)C(=O)C1=COCCO1 1124072442 SAMPHGPUXVOXOS-NSHDSACASA-N 319.321 -0.532 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]cc1C#N)C(=O)c1cnsn1 1124092208 XBLIFJROYJKGIL-JTQLQIEISA-N 318.362 -0.228 30 20 DBED Cc1cc(=NC[C@@H](O)CN(C)C(=O)c2cnon2)c(C#N)c[nH]1 1124465894 AZXDDGWBZGSPSO-LLVKDONJSA-N 316.321 -0.388 30 20 DBED C[C@@H](C#N)C(=O)NCCNCC(=O)Nc1ccccc1C(N)=O 1124896072 LJFRFZOQJSUCRW-JTQLQIEISA-N 317.349 -0.411 30 20 DBED CCNC(=O)NC(=O)CNCCNC(=O)c1ccc(C#N)[nH]1 1125776468 OPJQNLJGFOJHII-UHFFFAOYSA-N 306.326 -0.949 30 20 DBED COCCN(CCNC(=O)CNC(C)=O)c1nccnc1C#N 1126180965 JWXNJVLXMFCZOD-UHFFFAOYSA-N 320.353 -0.947 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NCCNCCNS(C)(=O)=O 1127609354 XHTUEGLLHIRYSQ-NEPJUHHUSA-N 319.427 -0.777 30 20 DBED N#Cc1ccc(CNCCNC(=O)C2CS(=O)(=O)C2)s1 1128108910 YJUVKDWADKFTFN-UHFFFAOYSA-N 313.404 -0.130 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@]12CCC[C@H]1OCC2 1131223293 AGYPUEVYKLNDFP-ZENOOKHLSA-N 307.394 -0.211 30 20 DBED C#CCCN1CCNC(=O)CCN(C(=O)[C@H](C)CC(N)=O)CC1 1131374415 YVUHVBKKPAVSBE-CYBMUJFWSA-N 322.409 -0.828 30 20 DBED C=CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)c1ccc(O)nn1 1133610511 GQNDXCUHNVKIFO-QWRGUYRKSA-N 321.381 -0.029 30 20 DBED C=CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)CNC(=O)NC 1134524999 URYVSCMTKFDJAQ-QWRGUYRKSA-N 313.402 -0.910 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)CCc1cn[nH]c1)NCC(=O)NCC#N 1135652420 ZZHQDSQWESKITO-NWDGAFQWSA-N 320.397 -0.145 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC2(CN(C(=O)[C@@H](C)C#N)C2)C1 1147256463 UUMNTEAZINEVBS-QWHCGFSZSA-N 302.378 -0.182 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cccnc1OCC#C 1148302516 PMPCKVDZGSYDAU-UHFFFAOYSA-N 314.345 -0.838 30 20 DBED C=CCN1CCC2(C1)CN(C(=O)[C@H](CCC(N)=O)NC(C)=O)C2 1148457727 AIXJDOXMCYMUPJ-ZDUSSCGKSA-N 322.409 -0.523 30 20 DBED C=CCNC(=O)CNCCNC(=O)COCc1cccnc1 1149182088 UMRXUXQEJUTENH-UHFFFAOYSA-N 306.366 -0.394 30 20 DBED CN(CC(=O)NCC#N)C[C@H]1CCCCN1C(=O)c1cnon1 1158625720 WWKNKAHDGASBGX-LLVKDONJSA-N 320.353 -0.364 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)[C@H]1OCCO[C@H]1C 1160248814 GHFMREDOQQCGFM-AGIUHOORSA-N 311.382 -0.976 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)[C@H](C)c1cncnc1 1164514156 VCWASDIBZAVCAG-CHWSQXEVSA-N 317.393 -0.186 30 20 DBED COCC#CCNCCCNC(=O)[C@@H]1CCc2nnn(C)c2C1 1164598554 ACIYYRIKXVJHPB-CYBMUJFWSA-N 319.409 -0.334 30 20 DBED C#CCNC(=O)CNCC1(CCNC(=O)c2cnn[nH]2)CC1 1165948124 MJERFBNNTBXARE-UHFFFAOYSA-N 304.354 -0.956 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)NCCCNCC(=O)NC1CC1 1167685898 ZGWQLAMNSZWAJZ-CQSZACIVSA-N 324.425 -0.168 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)C(=O)NCC1CC1 1169444401 VJEWNKQOLPVXBS-LLVKDONJSA-N 310.398 -0.701 30 20 DBED C=CCN1CC[C@@H](NCCCC[C@H](C)NC(=O)CC(N)=O)C1=O 1169936566 DHCAFKVIMNFUIC-QWHCGFSZSA-N 324.425 -0.087 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@@]12CCCN(CC1)C2 1174767484 CVJRKQSZAHBKFS-INIZCTEOSA-N 308.426 -0.130 30 20 DBED C[C@@H](CCCCNCC(=O)NCC#N)NC(=O)c1nc[nH]n1 1175786743 OVLPRJSZLXCBBD-JTQLQIEISA-N 307.358 -0.677 30 20 DBED N#CCNC[C@@H]1C[C@H]2CC[C@H]1N(C(=O)C1CC(=O)NC(=O)C1)C2 1177906875 BKLMSMQLOMGOSL-KGYLQXTDSA-N 318.377 -0.221 30 20 DBED C#CCOCCC(=O)N1CC[C@H](NCCN2CCNC2=O)[C@@H]1C 1178684546 FAVMYGOBRBTOTD-KBPBESRZSA-N 322.409 -0.370 30 20 DBED C=CCCO[C@@H](C)C(=O)N1CC[C@@H](NCc2nnnn2C)C1 1181475612 GNONDXLQUHTTLX-NWDGAFQWSA-N 308.386 -0.118 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](NCc2ccnn2C)C1 1182134599 RZYNXAMCCNDSTO-GFCCVEGCSA-N 303.366 -0.750 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)[C@]2(C)CCNC(=O)C2)C1 1183593556 ZDEHUNPYUOJHCK-MLGOLLRUSA-N 322.409 -0.605 30 20 DBED C[C@@H](O)CCCN1C[C@@H](O)[C@H](NC(=O)CSCC#N)C1 1191161858 MDJRZHCXMXODBW-IJLUTSLNSA-N 301.412 -0.435 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CN(Cc2nc(CC3CC3)no2)C[C@H]1O 1191872800 PEEUCFYVAKDBTQ-YUSALJHKSA-N 319.365 -0.157 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2cncc(C)c2)C1 1191987148 HHXNPQKOCUZBID-ZIAGYGMSSA-N 318.377 -0.533 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2cn(C)nc2C)C[C@H]1O 1192886566 SJIMARNMOAFPPN-HUUCEWRRSA-N 320.393 -0.570 30 20 DBED C=CCC[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(=O)cn2)C1 1195640970 WLMQNTKPROARHQ-RAIGVLPGSA-N 306.366 -0.101 30 20 DBED C#CCNC(=O)[C@H](C)N1CCCN(C(=O)CCN(C)C)CC1 1197028834 KAZULQLUOGEMHH-AWEZNQCLSA-N 308.426 -0.390 30 20 DBED N#CCNC(=O)CNC1CCN(C(=O)c2csc(O)n2)CC1 1202092408 NNFUFCLZAILMHZ-UHFFFAOYSA-N 323.378 -0.317 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)[C@H]2CN(C)C[C@@H]2C)CC1 1202503436 MWKGLHLQNVEVPB-ZFWWWQNUSA-N 320.437 -0.486 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)[C@H]2COCCN2C)[C@H](C)C1 1206880810 FPNVXMJATJLLOR-MGPQQGTHSA-N 324.425 -0.944 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(CC(=O)N(C)CC)C[C@H]1C 1206958996 PMRPFFAJAKVIKI-ZIAGYGMSSA-N 309.410 -0.059 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)CNC(=O)CC)C1 1207701671 PEHMVEFUUYDUPQ-CHWSQXEVSA-N 324.425 -0.216 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC[C@@H](NCC(=O)NC2CC2)C1 1208017980 IIJDOGBYNVEDCE-GXTWGEPZSA-N 307.394 -0.116 30 20 DBED C#CCCN[C@H]1CCCN(C(=O)[C@@H]2CCN(C)S2(=O)=O)C1 1210060777 IFVUTNPSYWKBPM-STQMWFEESA-N 313.423 -0.376 30 20 DBED COCC#CCN1C[C@@H](NC(=O)[C@@H](OC)C2CC2)[C@H](OC)C1 1212203101 CFHVMGDLOVMKEZ-KFWWJZLASA-N 310.394 -0.123 30 20 DBED CO[C@@H]1CN(CCN2CCCC2=O)C[C@H]1NC(=O)C#CC1CC1 1212250572 BDDBBRXMNQSSDC-HUUCEWRRSA-N 319.405 -0.162 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(CC(=O)N2CCC2)C[C@H]1OC 1212256083 UJVBGHGEADHJJC-MGPQQGTHSA-N 323.393 -0.928 30 20 DBED COCC#CCN1C[C@@H](NC(=O)Cn2nccc2C)[C@H](OC)C1 1213497716 CUOWIHNZDSXXGD-HUUCEWRRSA-N 320.393 -0.343 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CN(Cc2nc(CC3CC3)no2)C[C@@H]1O 1219381336 PEEUCFYVAKDBTQ-WCQGTBRESA-N 319.365 -0.157 30 20 DBED COCC#CCN1CC[C@@H]2CN(C(=O)CCn3ccnn3)[C@@H]2C1 1221504629 JMZLXNMGBWRPJW-HUUCEWRRSA-N 317.393 -0.149 30 20 DBED C=CCNC(=O)CN1CCC(CNC(=O)c2cnn(C)n2)CC1 1224846298 ISOJEJXLYRKTIY-UHFFFAOYSA-N 320.397 -0.441 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CCN(CCOCCO)CC1 1227849285 OBYMVCBJJPRSSL-INIZCTEOSA-N 323.437 -0.327 30 20 DBED CC#CCN[C@@H]1CCCC[C@H]1NC(=O)CN1CCC(=O)NC1=O 1229533996 MGMYMNCWACIPFJ-CHWSQXEVSA-N 320.393 -0.031 30 20 DBED C=CCN1CC[C@@H](N(C)Cn2ncc3cn(C)nc3c2=O)C1=O 1321170835 RWQKEMYNYLKDPK-GFCCVEGCSA-N 316.365 -0.194 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)NCCC(=O)N[C@H](C)CC 1321986409 ZOJQQMYCQFLXFD-CYBMUJFWSA-N 305.378 -0.108 30 20 DBED N#C[C@H]1CC[C@@H](NC(=O)C(=O)NCc2ccc(C(N)=O)o2)C1 1326703777 CIXLTCMSMLXRLV-DTWKUNHWSA-N 304.306 -0.197 30 20 DBED C[C@@H]1c2nncn2CCN1C(=O)C(=O)N1CCC[C@@H](C#N)C1 1335015119 HHXHUKXEXZSEBT-MNOVXSKESA-N 302.338 -0.057 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)NCC[C@@H]2CCNC2)CCN1C1CC1 1337470290 ACXDVKZGDPTBFE-GXTWGEPZSA-N 319.409 -0.699 30 20 DBED CCS(=O)(=O)CCNC(=O)C(=O)N1CCC(C#N)CC1 1346084884 XOIYUEDXKOHQRQ-UHFFFAOYSA-N 301.368 -0.701 30 20 DBED C#CCOCCN(C)C(=O)c1cccc(-n2[nH]nnc2=N)c1 1348892236 WNOXJQFGOPDOQL-UHFFFAOYSA-N 300.322 -0.203 30 20 DBED Cc1nc(N2CCN(C(=O)[C@H](C)n3cnc(C#N)n3)CC2)n[nH]1 1362882351 DGOOZLVSMJPPJK-VIFPVBQESA-N 315.341 -0.514 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CCCN(C(=O)[C@@H]2CCC(=O)N2C)C1 1374539126 IAKKHMFENWGCMW-WOPDTQHZSA-N 306.366 -0.126 30 20 DBED CCNC(=O)NC(=O)[C@H](C)N(CCNC(=O)[C@@H](C)C#N)C1CC1 1377517247 JOPINUIHWIWPOY-QWRGUYRKSA-N 323.397 -0.039 30 20 DBED CNC(=O)NCCC(=O)N(C)C1CCN(C(=O)[C@H](C)C#N)CC1 1383540414 UHUDCSRPDCKURU-LLVKDONJSA-N 323.397 -0.085 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(CN(C(=O)CCNC(N)=O)C2)C1 1383604375 GWERSCZMVYJHHQ-JTQLQIEISA-N 307.354 -0.735 30 20 DBED C[C@H](CNC(=O)c1c[nH]c(C#N)c1)NC(=O)Cn1cncn1 1386233026 RJKJQCXCTAHCIO-SECBINFHSA-N 301.310 -0.587 30 20 DBED CC(=O)N[C@H](C)C(=O)NC[C@@H](C)NC(=O)c1cc(C#N)c[nH]1 1386638424 ZXYDBARPTYCKRI-RKDXNWHRSA-N 305.338 -0.355 30 20 DBED Cc1nn[nH]c1C(=O)NC[C@@H](C)NC(=O)c1cc(C#N)c[nH]1 1397522984 OWLBQECYWVQJGQ-SSDOTTSWSA-N 301.310 -0.139 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)CN2CCCNC2=O)CC1 1400609587 DEMPUZWDUYLEMI-JTQLQIEISA-N 307.354 -0.674 30 20 DBED CC(=O)N(C)CC(=O)NC[C@H](O)CNCc1ccc(C#N)cc1 1401488219 JTBVXQMJBMANFS-OAHLLOKOSA-N 318.377 -0.397 30 20 DBED CCN(C(=O)CNC(C)=O)[C@H](C)CNC(=O)c1cc(C#N)c[nH]1 1406069128 WCQHVLKUOVABJV-SNVBAGLBSA-N 319.365 -0.011 30 20 DBED C[C@]1(NC(=O)Cn2cc(C#N)c(O)nc2=O)CCO[C@@H]1C1CC1 1412016178 DNBANLFDPBOGQR-DOMZBBRYSA-N 318.333 -0.106 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@@H]1CCCN(C(=O)CS(C)(=O)=O)C1 1415363186 SJHGUTLSPOFMRQ-GHMZBOCLSA-N 315.395 -0.360 30 20 DBED CNC(=O)NCC(=O)NCCN(C)C(=O)c1cc(C#N)c[nH]1 1415520199 WNMXIYJZWNLYNT-UHFFFAOYSA-N 306.326 -0.996 30 20 DBED COCCN(CCNC(=O)c1cnnc(O)c1)C(=O)[C@@H](C)C#N 1426048661 GPQPGPDKVCONLD-JTQLQIEISA-N 321.337 -0.453 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)c2cccnc2)C1 1434326978 JSBNSTHWSOTSSU-NHYWBVRUSA-N 302.334 -0.066 30 20 DBED CNC(=O)NCC(=O)NC1CCC(NC(=O)[C@@H](C)C#N)CC1 1447740872 LFJTYWLTZCJNNT-WHXUTIOJSA-N 309.370 -0.381 30 20 DBED CN(CCNC(=O)c1cc(C#N)c[nH]1)C(=O)[C@@H]1COC(=O)N1 1455192889 NRCPIWZPKPDXFY-JTQLQIEISA-N 305.294 -0.817 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCN1CCN(C(=O)CC(C)(C)O)CC1 1456072915 QEUHMEICINBVNY-ZDUSSCGKSA-N 324.425 -0.090 30 20 DBED CC(C)[C@@H](CNc1[nH]c(=O)n(C)c(=O)c1C#N)N1CCOCC1 1472649783 WEWUGODFYQWZOE-GFCCVEGCSA-N 321.381 -0.286 30 20 DBED C[C@@H]1C[C@H](NC(=O)NCCn2cc(C#N)c(O)nc2=O)CO1 1478915416 IOUYEVVNTXVMDP-SCZZXKLOSA-N 307.310 -0.703 30 20 DBED C[C@@H](C#N)C(=O)NCCN1CCN([C@@H](C)C(=O)NC2CC2)CC1 1479928179 HNQNADXADLAIRZ-STQMWFEESA-N 321.425 -0.453 30 20 DBED COCC#CCN1CCC[C@@H](NC(=O)c2c[nH]c(=O)cn2)C1 1494284987 JCTMSYRZJYXMOF-GFCCVEGCSA-N 304.350 -0.386 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C)C(=O)[C@H]1CCc2nnn(C)c2C1 1496502235 RXVJOCZEBUJINU-QWRGUYRKSA-N 318.381 -0.346 30 20 DBED CCS(=O)(=O)CC(=O)N[C@]1(C)CCN(C(=O)[C@H](C)C#N)C1 1506455645 JCVRQQONQBHDDR-ZWNOBZJWSA-N 315.395 -0.312 30 20 DBED C[C@@H](C#N)C(=O)NCCN1CCN(C(=O)C2CCOCC2)CC1 1524094853 PMOYHHLWLYWYPI-ZDUSSCGKSA-N 322.409 -0.167 30 20 DBED C[C@@H](C#N)C(=O)NCCNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 1573583810 PDMSBOXOPAAEKU-ZETCQYMHSA-N 302.298 -0.800 30 20 DBED CN(CCC#N)S(=O)(=O)NCc1nc(CC(=O)O)cs1 1573870046 JWFAJQOXJDTGHH-UHFFFAOYSA-N 318.380 -0.050 30 20 DBED Cc1nc(C(=O)N[C@@H]2CN(C(=O)O)C[C@H]2CO)ccc1C#N 1574180725 MCMYDHVJWMMCCI-CMPLNLGQSA-N 304.306 -0.038 30 20 DBED CC1CCN(C(=O)Cn2c(N)nc(-c3nn[nH]n3)c2C#N)CC1 1590264001 MPOXMFOUGMBQGJ-UHFFFAOYSA-N 315.341 -0.224 30 20 DBED Cc1nn(CCn2c(C)nc(C#N)c2-c2nn[nH]n2)c(=O)o1 1592436875 FAWNNIMXEFVJRI-UHFFFAOYSA-N 301.270 -0.598 30 20 DBED C#CCC[C@H](O)CNC(=O)C(=O)Nc1cccnc1C(=O)O 1602675222 MXDCHHQZSMMMRQ-VIFPVBQESA-N 305.290 -0.391 30 20 DBED C=CCOC[C@H](NC(=O)CNC(=O)c1cccnc1)C(=O)O 1609432214 JFDIGVWNRRNZMT-NSHDSACASA-N 307.306 -0.417 30 20 DBED Cc1nc(C#N)c(-c2nn[nH]n2)n1CC(=O)NC(=O)NC1CC1 1609446383 ANDYAZHHAFUKHS-UHFFFAOYSA-N 315.297 -0.769 30 20 DBED C[C@@H](CNC(=O)N1CC[C@](O)(CC#N)C1)N1CCN(C)CC1 1649321216 LJLUJIGRBWAWKI-DZGCQCFKSA-N 309.414 -0.318 30 20 DBED C#CCCN[C@H]1CCN(C(=O)[C@H](C)NS(=O)(=O)CC)C1 1713923625 CHGJIJRKTIVBDZ-RYUDHWBXSA-N 301.412 -0.472 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(CCNC(=O)[C@H](C)C#N)CC1 1752363241 LZZHHDKEBGBSBY-ZIAGYGMSSA-N 321.425 -0.429 30 20 DBED COCC#CCN1CCN(CCNC(=O)c2oncc2C)CC1 1752375325 XYEKSUBUNBVULB-UHFFFAOYSA-N 320.393 -0.020 30 20 DBED CC#CCNC1CCC(NC(=O)CNC(=O)CNC(C)=O)CC1 1752850964 UPIJJWCLLQVYPJ-UHFFFAOYSA-N 322.409 -0.721 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC[C@@H]1CNC(=O)C(C)(C)C(N)=O 1753105260 ASOXSNBJPKDXHV-VXGBXAGGSA-N 322.409 -0.784 30 20 DBED C=CCOCCN1CC(CNC(=O)CN2CCCNC2=O)C1 1753406312 QDKINEREMGQMFV-UHFFFAOYSA-N 310.398 -0.348 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H](CC)NCC(=O)N(C)C 1753476614 MIPBEVFZDKDWNN-KBPBESRZSA-N 308.426 -0.343 30 20 DBED C#CCNC(=O)[C@@H](C)NCC1(NC(=O)c2nc[nH]n2)CCCC1 1753508469 KOLXZMADVORUED-LLVKDONJSA-N 318.381 -0.425 30 20 DBED CN1C(=O)CN(CC(=O)N2CCC(CCNCC#N)CC2)C1=O 1753576519 AJJWOTLCRUTGJR-UHFFFAOYSA-N 321.381 -0.378 30 20 DBED N#Cc1ccc(C(=O)NC[C@@H]2CN(CCOCCO)CCO2)[nH]1 1753650640 WYVWZLAKTMRKDV-CYBMUJFWSA-N 322.365 -0.674 30 20 DBED C#CCNC(=O)CNC[C@H](C)N(C)C(=O)CC1CCOCC1 1753683403 JWBXZAVAPPXZET-ZDUSSCGKSA-N 309.410 -0.011 30 20 DBED C#CCNC(=O)CNC[C@@H](C)N(C)C(=O)c1n[nH]c2c1CCC2 1753699922 DWZVEAWGTPIRLX-LLVKDONJSA-N 317.393 -0.302 30 20 DBED C=CCN[C@H]1CCN(C(=O)CNS(=O)(=O)N(C)C)C[C@H]1C 1753760035 GEXFWPRSLKBXED-NEPJUHHUSA-N 318.443 -0.605 30 20 DBED CC(C)(C(N)=O)C(=O)NC[C@H](O)CNCc1ccccc1C#N 1753913793 LINCQZNQXCMMIC-CYBMUJFWSA-N 318.377 -0.364 30 20 DBED C=C[C@@](C)(O)CC(=O)N(C)CCCNCC(=O)NC(=O)NC 1754367558 BJIRNPYCSNAUNQ-CQSZACIVSA-N 314.386 -0.793 30 20 DBED CCOCC(=O)NC[C@@]1(C)CCCN(CC(=O)NCC#N)C1 1754723526 KGUGWHOEHWIFPA-OAHLLOKOSA-N 310.398 -0.119 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC(O)(CNC(=O)c2ccon2)C1 1754765272 HFDMJEWMGVYDCG-SNVBAGLBSA-N 308.338 -0.858 30 20 DBED C#CCNC(=O)[C@H](C)N1CC(O)(CNC(=O)C2=CCCC2)C1 1754766323 MVKLZMIIKXGMNB-LBPRGKRZSA-N 305.378 -0.603 30 20 DBED C#CCNC[C@@H]1CN(C(=O)CN(C)S(=O)(=O)CC)C[C@@H]1C 1754825217 XDYASCGLLMBVPU-QWHCGFSZSA-N 315.439 -0.415 30 20 DBED C=CCCC(=O)N[C@@]1(CO)CCCN(CC(=O)NC(N)=O)C1 1754853374 ZBCJZLXNXISSOH-AWEZNQCLSA-N 312.370 -0.909 30 20 DBED C#CCCNC[C@H]1CN(C(=O)c2ccnc3[nH]nnc23)CCO1 1755004677 FIAXIECQUHZRJX-NSHDSACASA-N 314.349 -0.193 30 20 DBED C#CCNC(=O)[C@@H](C)NCC1(O)CCN(C(=O)CC2CC2)CC1 1755146488 KEEUUEDRQGZTJX-CYBMUJFWSA-N 321.421 -0.133 30 20 DBED COCCOCCNCC1(O)CCN(C(=O)[C@H](C)C#N)CC1 1755147714 FFBQZYPZKPCWHD-CYBMUJFWSA-N 313.398 -0.248 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1(CCO)CN([C@@H](C)C(N)=O)C1 1755336257 MUVOMAXITCGQMV-TUAOUCFPSA-N 311.382 -0.996 30 20 DBED C=CCNC(=O)CNC1CC(N(C)C(=O)c2cn(C)cn2)C1 1755855603 WJHLGRBPNSPKOD-UHFFFAOYSA-N 305.382 -0.085 30 20 DBED C=CCNC(=O)[C@H](C)NC1CC(N(C)C(=O)Cc2nc[nH]n2)C1 1755863692 HXBGNPBURBADAU-UNXYVOJBSA-N 320.397 -0.383 30 20 DBED C[C@@H](CNC(=O)CSCC#N)N(C)C(=O)c1ncn(C)n1 1756005355 GYVMFIOVASJIFM-VIFPVBQESA-N 310.383 -0.351 30 20 DBED N#CCSCC(=O)NCC1[C@H]2CN(C(=O)c3cnon3)C[C@H]12 1756193274 WIRNRFOSUBWEHE-NXEZZACHSA-N 321.362 -0.239 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@H]1[C@@H]2CN(C(=O)CC(=O)NC)C[C@H]12 1756197773 ABFGHYAATOPKBZ-LSSIXWDNSA-N 323.393 -0.730 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1[C@@H]2CN(C(=O)CNC(C)=O)C[C@@H]12 1756199892 KKQAVJVICPRAFI-XEZPLFJOSA-N 323.393 -0.730 30 20 DBED C#CCOCCC(=O)N(C)C[C@H](C)NC(=O)Cc1nonc1C 1756452595 AESZBMRRVCJLBT-NSHDSACASA-N 322.365 -0.076 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(C(=O)c2cnn(C)c2N)[C@H]1C 1756559741 DWUATAPSFXNGBU-JQWIXIFHSA-N 321.381 -0.076 30 20 DBED O=C(C#CC1CC1)NCCC1(CNC(=O)[C@@H]2CNC(=O)N2)CC1 1756899717 FRRMLUOOIBBUIX-LBPRGKRZSA-N 318.377 -0.516 30 20 DBED Cn1ncnc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CC#N)C2 1794910177 CHRJLDWMUQGINM-JGPRNRPPSA-N 302.338 -0.019 30 20 DBED CC[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC#N 1795416778 OIKZGBNZMFTQKI-GFQSEFKGSA-N 309.366 -0.349 30 20 DBED C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CNC(=S)NCC 1801244535 MSCXLCUHNOUNPQ-ZSBIGDGJSA-N 322.434 -0.258 30 20 DBED CN1CCN(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)CC1=O 177766577 ZGMCIIOUWBJHCJ-UHFFFAOYSA-N 304.281 -0.064 30 20 DBED C=CCNC(=O)CNC(=O)c1cccnc1N1CCOCC1 271966872 IFPRBHHMOOWHLM-UHFFFAOYSA-N 304.350 -0.050 30 20 DBED C=CCS(=O)(=O)CCNC(=O)Cn1c(C)cc(O)cc1=O 273094411 OIJFITURUGGYAM-UHFFFAOYSA-N 314.363 -0.421 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC2CN(C(C)C)C2)C1=O 275215404 KAJLEDHHRMBANS-UHFFFAOYSA-N 308.338 -0.828 30 20 DBED CCOC(=O)CO/N=C(/C(=O)NCC(=O)C1CC1)c1cc[nH]n1 278436757 DRGUELWZZFVESK-QGOAFFKASA-N 322.321 -0.211 30 20 DBED CNC(=O)CN(C)c1ccc(C#N)c(N(C)CC(=O)NC)n1 278487137 VWFZOCYZTUTJNA-UHFFFAOYSA-N 304.354 -0.682 30 20 DBED O=C(CC/N=C(/O)c1cnc2[nH]nnc2c1)N1CCOCC1 329159608 XRZKCZDKZIPKKO-UHFFFAOYSA-N 304.310 -0.094 30 20 DBED C[C@](O)(C/N=C(/O)Nc1cnns1)CN1CCOCC1 330206333 DEJYEOJSCIMSHH-NSHDSACASA-N 301.372 -0.053 30 20 DBED O=C(C/N=C(/O)CN1CCN2C(O)=NC[C@H]2C1)N1CCCC1 330276387 MVJOVICFDFNKBM-NSHDSACASA-N 309.370 -0.521 30 20 DBED Cn1nnc(C/N=C(/O)N2CCN(CC3CCOCC3)CC2)n1 330289992 CFIWTADMPIMOIS-UHFFFAOYSA-N 323.401 -0.332 30 20 DBED CCN(C[C@H](C)C#N)C(=O)CN1CCN2C(=O)NC(=O)[C@H]2C1 330515889 VXAXEIZUPQGCFW-GHMZBOCLSA-N 307.354 -0.769 30 20 DBED C[C@@H](/N=C(/O)c1cn(CC(=O)N(C)C)nn1)C(=O)NC(C)(C)C 330681606 GMJMIGWFGCBOLI-SECBINFHSA-N 324.385 -0.026 30 20 DBED CCS(=O)(=O)N(C)CCC/N=C(/O)N1CCO[C@@H](CO)C1 331167358 HCXBBOXCUPUAAZ-LLVKDONJSA-N 323.415 -0.735 30 20 DBED CN(CC1(O)CCCC1)S(=O)(=O)N1CCO[C@@H](C#N)C1 336956010 YZVAWJBGKACNMQ-NSHDSACASA-N 303.384 -0.308 30 20 DBED C[C@@H]1CN(C)CC[C@H]1N(C)S(=O)(=O)N1CCO[C@H](C#N)C1 337103968 YHXIOWYNZVVFET-JHJVBQTASA-N 316.427 -0.272 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)[C@H]2CN3CCCN2CC3)C1=O 337105871 ZNYGJSSLGZQYKX-ZIAGYGMSSA-N 306.410 -0.378 30 20 DBED CCC[C@@]1(CO)CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)C1 341960757 RRQWDKOXUBQCOH-QWHCGFSZSA-N 317.411 -0.060 30 20 DBED C[C@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)NC1CC1 356481671 PBNYMAMBPFHDAC-JTQLQIEISA-N 322.394 -0.144 30 20 DBED C=CCCOCCNC(=O)N1CCS(=O)(=O)[C@H](C(=O)O)C1 424443581 BKTBSJLEXDVITP-JTQLQIEISA-N 320.367 -0.528 30 20 DBED C=CCCn1cc(C(=O)N2CCN(C(=O)[C@H](C)O)CC2)nn1 424744428 IYFWRGAYUHXCKL-NSHDSACASA-N 307.354 -0.481 30 20 DBED COC(=O)[C@@H]1CNC(=O)CN1CC(=O)Nc1sccc1C#N 447916291 ORGNMGBGTLVQMR-VIFPVBQESA-N 322.346 -0.468 30 20 DBED CC[C@H](C)N1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)CC1 451970955 MINMTNBDFFCJHI-QWHCGFSZSA-N 316.427 -0.128 30 20 DBED COC(=O)CN(CC#N)S(=O)(=O)c1cnn(CC(F)F)c1 488413475 FJWUBICKCPNHFI-UHFFFAOYSA-N 322.293 -0.165 30 20 DBED C[C@@H]1CC(=O)N[C@H](C(=O)N(C)CCCc2[nH]nc(N)c2C#N)C1 560340974 LOCNJIHAKICZPA-CABZTGNLSA-N 318.381 0.169 30 20 DBED N#Cc1ncn(CC(=O)N2CCN(c3cnccc3C#N)CC2)n1 561428573 BKSIZWDKZLWXOW-UHFFFAOYSA-N 322.332 -0.235 30 20 DBED CCN1CCN(C(=O)CNC(=O)c2ccc(C#N)n2C)CC1 569814934 TZWSSOVWZZWWJE-UHFFFAOYSA-N 303.366 -0.209 30 20 DBED Cc1ccn(C[C@@](C)(O)C(=O)N2CC[C@](O)(CC#N)C2)c(=O)c1 592850723 YPCYZTBKKOFIGW-HZPDHXFCSA-N 319.361 -0.215 30 20 DBED C=CCCSCCNC(=O)C(=O)N1C[C@@H](O)[C@H](CO)C1 595189243 QOCYHIHTOAIPAT-WDEREUQCSA-N 302.396 -0.777 30 20 DBED COCC(=O)N1CCN(C(=O)NC2CCN(CC#N)CC2)CC1 609336465 IZOFIWLZIDHIRV-UHFFFAOYSA-N 323.397 -0.525 30 20 DBED C=C[C@H](O)C(=O)N1CCC(S(=O)(=O)N2CCCC2)CC1 614494825 OIBFHNJMTXBTKU-LBPRGKRZSA-N 302.396 -0.050 30 20 DBED N#C[C@@]1(F)CCN(C(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)C1 615595139 ODOVPIXEEXTRRH-HFWJBDJDSA-N 321.308 -0.387 30 20 DBED C=C[C@H](CO)NC(=O)NCCc1ccc(S(N)(=O)=O)cc1 663407798 UFNZIDCVHRRZEO-LLVKDONJSA-N 313.379 -0.277 30 20 DBED C=C[C@](C)(O)C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 666624600 MKXIQTWOYRCKRX-HNNXBMFYSA-N 309.366 -0.783 30 20 DBED C=C[C@@](C)(O)C(=O)NCCS(=O)(=O)N1CCSCC1 668408670 ZMTHTTPEDHJUAO-LLVKDONJSA-N 308.425 -0.582 30 20 DBED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)Nc1nn[nH]n1 728209124 ZDEHYIDKLBATQT-UHFFFAOYSA-N 321.322 -0.733 30 20 DBED C=CCOCC(=O)NS(=O)(=O)N1CCC(C(=O)OC)CC1 729893899 QZKXGLNVYTVFMJ-UHFFFAOYSA-N 320.367 -0.565 30 20 DBED Cn1c(O)ncc(C(=O)NCCNc2ccc(C#N)cn2)c1=O 751561269 FBYGROPGOPHSKU-UHFFFAOYSA-N 314.305 -0.406 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@H](S(=O)(=O)NCC)C1 771403091 HSVMTGKORIFWQQ-STQMWFEESA-N 313.423 -0.376 30 20 DBED CC(C)(C#N)CS(=O)(=O)NCCCN1C(=O)CNC1=O 790018276 UUSOMPFHHUWHIT-UHFFFAOYSA-N 302.356 -0.603 30 20 DBED C#CCNS(=O)(=O)N1CCN(CCO[C@@H](C)C#N)CC1 801935468 FPNHWYPPAOYJJR-LBPRGKRZSA-N 300.384 -1.000 30 20 DBED C[C@](C#N)(CC(=O)O)C(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 819810865 GVHMIOOLXZZHPP-BXKDBHETSA-N 317.367 -0.469 30 20 DBED N#CCN(CC(=O)O)CC(=O)NC[C@@H]1COc2ccccc2O1 833066235 RCQXNUVLGUCJKN-LLVKDONJSA-N 319.317 -0.147 30 20 DBED C#CCn1cc(CNC(=O)[C@H]2CCCCN2S(C)(=O)=O)cn1 834606268 FZDRGQRTIAGIFI-CYBMUJFWSA-N 324.406 -0.053 30 20 DBED C#CCCS(=O)(=O)NC(=O)[C@]1(c2ccccc2)CNC(=O)C1 847698476 AVPFZCRAGNNYMC-HNNXBMFYSA-N 320.370 -0.086 30 20 DBED C/N=C(/NCCN1CCOCC1)NCc1nnc2n1CCCC2 849071578 JCAWRGFRCXPYHK-UHFFFAOYSA-N 321.429 -0.388 30 20 DBED CC(C)(C)n1nnc(C=NNc2ccc(S(N)(=O)=O)cn2)n1 853289556 YPIVUFRCGUUOQX-UHFFFAOYSA-N 324.370 -0.084 30 20 DBED COCCCNC(=O)[C@@H](C#N)C(=O)Cn1cc(C(=O)OC)cn1 860461063 DWROOCGZTONPIV-NSHDSACASA-N 322.321 -0.469 30 20 DBED N#Cc1ccc(N2CCN(CC(=O)NCC(=O)O)CC2)cc1 873644916 SEHCXNNVILENSY-UHFFFAOYSA-N 302.334 -0.119 30 20 DBED C#Cc1cccc(NC(=O)C(=O)N2C[C@@H](CO)[C@@H](CO)C2)c1 874210577 DVTNWPJHOFLBFT-BETUJISGSA-N 302.330 -0.334 30 20 DBED Cn1c(N2CC[C@@H](C3OCCO3)C2)c(C#N)c(=O)n(C)c1=O 895520024 NBJNEUGUGLMBLF-SECBINFHSA-N 306.322 -0.845 30 20 DBED CN1CC[C@@H]2CC[C@H](C1)N2S(=O)(=O)N1CCO[C@@H](C#N)C1 919842051 LDCZNJYKWLOVFA-XQQFMLRXSA-N 314.411 -0.376 30 20 DBED N#C[C@H]1CN(S(=O)(=O)N[C@@H]2CCO[C@H]2C2CC2)CCO1 921312425 CEALKYHVCSXSQT-TUAOUCFPSA-N 301.368 -0.387 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)c2cccn3nnnc23)C1 938011103 JSYIRHRRCLOUFB-UWVGGRQHSA-N 313.321 -0.385 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCN(Cc2nncn2C)CC1 948832082 QWDGZUHWKALFAK-AWEZNQCLSA-N 316.409 -0.443 30 20 DBED CN(C(=O)c1ccc(C#N)[nH]1)C1CN(C(=O)[C@@H]2CCNC2=O)C1 954073872 VKYNQCPUXNDJHQ-LLVKDONJSA-N 315.333 -0.695 30 20 DBED CCN1CCOC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@H](C)C#N)C1 954683636 MJTFRLUEYXNWKU-AAEUAGOBSA-N 308.382 -0.464 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2cnc(OC(C)C)cn2)C1 958070262 ZCARLAQLWYLAGW-OCCSQVGLSA-N 318.377 -0.081 30 20 DBED Cn1nc(C(F)F)cc1C(=O)NC[C@@H]1CN(CC#N)C[C@@H]1O 958254416 OXLBLXLRSONLJT-KCJUWKMLSA-N 313.308 -0.096 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2CN(CCCO)C[C@@H]2O)cn1 958603633 ZWCOBDOLTFXVPQ-ZFWWWQNUSA-N 303.362 -0.532 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)C(N)=O)CC1 964981331 DMCUOTFWPKIOCM-STQMWFEESA-N 320.393 -0.933 30 20 DBED N#Cc1cc(C(=O)N2CCC[C@@H](NC(=O)C(N)=O)CC2)c[nH]1 965133811 UJZAXTSLSQXRCX-SNVBAGLBSA-N 303.322 -0.517 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CN(C(=O)Cn3ccnc3)CCO2)C1 965409205 GTTWYPSMNMKYTF-LBPRGKRZSA-N 317.349 -0.517 30 20 DBED Cc1nonc1C(=O)N[C@@H]1COC2(C1)CN(C(=O)[C@@H](C)C#N)C2 965739730 LGYYCHNGRYSFJE-WPRPVWTQSA-N 319.321 -0.363 30 20 DBED C#CCN[C@@H]1CCN(C(=O)[C@H]2COCCN2CC(F)F)C1 969466537 VJQJOEZVXUGLON-VXGBXAGGSA-N 301.337 -0.224 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]2CCN(C(=O)c3nnn(C)n3)C[C@@H]21 975885517 GQKQJWADSBKEPB-DCAQKATOSA-N 317.353 -0.567 30 20 DBED C#CCN1C[C@H]2[C@H](CNC(=O)[C@H]3CN4CC5CC4(CO3)C5)[C@H]2C1 978553204 GVTDWMXLFOAFDV-UAEIHBMGSA-N 315.417 -0.223 30 20 DBED CN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CCCN(C(=O)C(N)=O)C1 984581092 FERIEUMIRKWBSJ-JTQLQIEISA-N 303.322 -0.565 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCC(N(C)[C@@H](C)C(N)=O)CC1 985474833 GQAINSWDBHAMCG-ZFWWWQNUSA-N 320.437 -0.119 30 20 DBED C[C@@H]1[C@@H](NC(=O)Cn2cnnn2)CCN1C(=O)C#CC1CC1 987298689 CPRUUNHVJDSQBZ-PWSUYJOCSA-N 302.338 -0.808 30 20 DBED CN1CCC[C@H]1C(=O)N1CC(NC(=O)c2ccc(C#N)[nH]2)C1 990890988 WIPSQPRCKMJRGW-ZDUSSCGKSA-N 301.350 -0.079 30 20 DBED C#CCOc1ncccc1C(=O)N1CC[C@@H](NC(C)=O)[C@H](O)C1 991146533 DJOIDBBQIQOXEI-ZIAGYGMSSA-N 317.345 -0.195 30 20 DBED C#CCN1CCC([C@@H](C)NC(=O)c2cnc(O)n(C)c2=O)CC1 997256638 ZSDOKPJILZAJJD-LLVKDONJSA-N 318.377 -0.051 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC(NC(=O)[C@@H]3[C@H]4COC[C@H]43)C2)c1 997926525 PRKXFFOFUFJBIJ-PJXYFTJBSA-N 300.318 -0.281 30 20 DBED C#CCN[C@@H]1CN(C(=O)Cn2cnnn2)CC[C@@H]1C(F)(F)F 998230741 HBEZIIUVTMEOKY-VHSXEESVSA-N 316.287 -0.325 30 20 DBED C=C1CC(C)(C(=O)NC2CN(C(=O)Cn3ncn(C)c3=O)C2)C1 999293641 ZJSNYFFRUMHFHY-UHFFFAOYSA-N 319.365 -0.735 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)Cc2cnn(C)c2)C1 1000006646 YKHBKCKMBDXAAN-KGLIPLIRSA-N 318.377 -0.119 30 20 DBED C=CCN1CC[C@@H](n2cc(CNC(=O)[C@H]3CNC(=O)N3)nn2)C1 1000013264 HBPOVQUWYFLBSF-VXGBXAGGSA-N 319.369 -0.992 30 20 DBED N#CCN1CCC[C@@H](NC(=O)C2CC3(C2)CS(=O)(=O)C3)C1 1007631836 CCZLYFAIZSBYBL-GFCCVEGCSA-N 311.407 -0.085 30 20 DBED Cn1nncc1C(=O)NC[C@H]1[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]12 1009001621 LNVUUZKEAFGEBA-XYYAHUGASA-N 313.361 -0.337 30 20 DBED CCN1CCO[C@@H](C(=O)N2CCN(C(=O)[C@@H](C)C#N)CC2)C1 1011217228 NNKWUXJSJMYMRU-QWHCGFSZSA-N 308.382 -0.462 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C(=O)c2ccc(=O)n(C)c2)CC1 1011456146 NXEQCMAFNMRRDE-NSHDSACASA-N 302.334 -0.171 30 20 DBED O=C1C[C@H](C(=O)NC2[C@H]3CN(C(=O)C#CC4CC4)C[C@H]23)CCN1 1012951876 FIBRXDPSNZJMDJ-AGIUHOORSA-N 315.373 -0.501 30 20 DBED COc1cc(C(=O)NC2[C@@H]3CN(C(=O)[C@@H](C)C#N)C[C@@H]23)ncn1 1013144895 FXROPTMPACYZGH-IVZWLZJFSA-N 315.333 -0.169 30 20 DBED NC(=O)CC(=O)N1CCO[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21 1019879267 HMTYKTPROIPOIW-QWHCGFSZSA-N 319.361 -0.897 30 20 DBED C#CCN1CC[C@H]2[C@H](CCCN2C(=O)c2nnc(O)nc2O)C1 1021624837 ZFSMOQORTHYDOE-MNOVXSKESA-N 317.349 -0.158 30 20 DBED C#CCN1CC[C@H]2[C@H](CCCN2C(=O)CN2CCNC(=O)C2)C1 1021651313 CTQVCTDGEQIDJR-CABCVRRESA-N 318.421 -0.636 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2C[C@@H](NC(=O)C(N)=O)C23CCC3)c[nH]1 1025903382 CPFDZFOSSRVMCF-GHMZBOCLSA-N 315.333 -0.471 30 20 DBED C=CCN1CC[C@H](N2CC(CNC(=O)c3cnnn3C)C2)C1=O 1031645151 CUYNBKZAJPGYGD-LBPRGKRZSA-N 318.381 -0.736 30 20 DBED CN(C)[C@H](Cn1cccn1)C(=O)N1C[C@@H]2C[C@H]1CN2CC#N 1032444093 KJQKJDDCWRNAAF-MELADBBJSA-N 302.382 -0.378 30 20 DBED C=CCn1cc(C(=O)N2C[C@@H]3C[C@H]2CN3[C@H](C)C(N)=O)nn1 1032670148 OFWJVDBWDHGSGG-VWYCJHECSA-N 304.354 -0.763 30 20 DBED CC#CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(=O)n2[nH]cnc2n1 1032731033 XJAODPOFDUQHJM-QWRGUYRKSA-N 312.333 -0.660 30 20 DBED C#CCCN1CCCC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C1 1034544935 VNVPHCORIVJDPL-GFCCVEGCSA-N 318.381 -0.629 30 20 DBED O=C(Cn1ncnn1)N[C@@H]1[C@H]2C[C@H]1N(CC#Cc1ccccc1)C2 1037412303 WKLQDGGMRHDOFB-ZMSDIMECSA-N 322.372 -0.086 30 20 DBED C=CCN[C@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C[C@H]1CC 1037845731 PXQDJUIGGSLWQG-NEPJUHHUSA-N 320.397 -0.220 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2CCN2[C@H](C)C(=O)N(C)C)nn1 1038789048 DXBAOTWJZSGHFO-NEPJUHHUSA-N 320.397 -0.255 30 20 DBED CN1CCC[C@H]1C(=O)N1CC[C@@](O)(CNC(=O)C#CC2CC2)C1 1039677686 KYYTZJKAZPNUHG-WMLDXEAASA-N 319.405 -0.426 30 20 DBED C#CCN1CCC[C@@]2(CCN(C(=O)[C@@H]3CN(C)C(=O)N3)C2)C1 1040328004 IZGMSSSTIJBYGB-XJKSGUPXSA-N 304.394 -0.042 30 20 DBED N#Cc1cccnc1N1C[C@@H](O)[C@H](NC(=O)Cc2ccon2)C1 1040958218 CBGSMPRWJXOYTL-CHWSQXEVSA-N 313.317 -0.150 30 20 DBED C=CCN1CC[C@@]2(CCN(C(=O)Cn3cnc(C(N)=O)n3)C2)C1 1041299456 DHXGBZCHWGFRQS-OAHLLOKOSA-N 318.381 -0.513 30 20 DBED CCCOCC(=O)NCC1(O)CN(C(=O)c2c[nH]c(C#N)c2)C1 1041862698 YCBIWKSZBWGFAH-UHFFFAOYSA-N 320.349 -0.384 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)[C@H](COC)OC)C1 1041960295 LNCSWEDXVKDMJE-NSHDSACASA-N 300.355 -0.697 30 20 DBED C#CCCN1CC[C@@H]2CCN(C(=O)CN3CC(=O)NC3=O)C[C@@H]21 1042273656 UYDMCHZTBPVXJF-OLZOCXBDSA-N 318.377 -0.516 30 20 DBED N#Cc1c[nH]c(C(=O)NCC2(O)CN(C(=O)[C@@H]3CC34CC4)C2)c1 1042398143 SNSGUCCPMHCNNJ-NSHDSACASA-N 314.345 -0.010 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)C1CN(CCn2cncn2)C1 1042962321 FKPBSGPFFDXPDF-HNNXBMFYSA-N 316.409 -0.482 30 20 DBED Cc1n[nH]c(C)c1CC(=O)NCC1(O)CN(C(=O)[C@@H](C)C#N)C1 1043008630 HUXQFPMUJXUKRS-VIFPVBQESA-N 319.365 -0.582 30 20 DBED C=CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)c2cnn(C)c2)C1 1043569254 UDFFXKWHWODJHY-LLVKDONJSA-N 322.365 -0.686 30 20 DBED C=C[C@H](C)[C@H](C)C(=O)N1CC(O)(CNC(=O)c2cnn[nH]2)C1 1043816286 OHSZSRCJRZSVGE-UWVGGRQHSA-N 307.354 -0.434 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)C2(COC)CC2)C1 1043866841 ZEICZVVNNUGJMB-LBPRGKRZSA-N 324.377 -0.859 30 20 DBED CN1CC[C@H](C(=O)N[C@@H]2CN(c3ccc(C#N)cn3)C[C@@H]2O)C1 1043966644 URRJMZXTPPAMCV-MJBXVCDLSA-N 315.377 -0.429 30 20 DBED Cn1cc(C(=O)N2CCN([C@H]3CCN(CC#N)C3)CC2)nc1O 1046062398 RZUAYXQLFYILGI-LBPRGKRZSA-N 318.381 -0.519 30 20 DBED CNC(=O)[C@H](C)N1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C#N)c[nH]2)C1 1047338179 RGIZDQQLXIRUJY-XDTLVQLUSA-N 319.365 -0.862 30 20 DBED C#CCCN1CCOC[C@H]1CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1 1051117002 QGSNHYRMFAXISP-HZSPNIEDSA-N 307.394 -0.272 30 20 DBED C=C(Cl)CN1CCN([C@@H]2CCN(C(=O)CC(N)=O)C2)CC1 1052000712 PAPMERWYOLJKQC-GFCCVEGCSA-N 314.817 -0.167 30 20 DBED C#CCN1CCN([C@@H]2CCN(C(=O)[C@@H]3CC(=O)N(C)C3)C2)CC1 1052035455 JUFUEUQSUQGSHS-HUUCEWRRSA-N 318.421 -0.684 30 20 DBED C#CCN1CCN([C@@H]2CCN(C(=O)Cn3cncn3)C2)CC1 1052114165 HSJAJWGRGHAQNQ-CQSZACIVSA-N 302.382 -0.870 30 20 DBED N#CCN1CC2(C1)CN(C(=O)c1cnn(CCF)c1)CCO2 1053324839 JJKQGTZSGRBUJE-UHFFFAOYSA-N 307.329 -0.097 30 20 DBED C#CCN1CC2(C1)CN(C(=O)CCc1cncn1C)CCO2 1053521596 BRBNZUGORNVNBJ-UHFFFAOYSA-N 302.378 -0.101 30 20 DBED C#CCCN1CC2(CC[C@H](CNC(=O)[C@H]3CCNC(=O)C3)O2)C1 1053590826 QLXXUURRJMFRON-UONOGXRCSA-N 319.405 -0.115 30 20 DBED Cc1nn(C)cc1CC(=O)N[C@H]1COC2(C1)CN(CC#N)C2 1053830714 JNUUNJIQIOIYEZ-CYBMUJFWSA-N 303.366 -0.246 30 20 DBED N#Cc1nccc(N2C[C@H]3C(NC(=O)Cn4cccn4)[C@@H]3C2)n1 1056140992 MSSKBGCPECTGSU-GHMZBOCLSA-N 309.333 -0.204 30 20 DBED N#Cc1cnccc1N1C[C@H]2[C@H](NC(=O)Cn3ncnn3)[C@H]2C1 1056311285 YSCNQVHQENGJQU-YABSGUDNSA-N 310.321 -0.809 30 20 DBED Cc1cc(C#N)nc(N[C@@H]2CCN(C(=O)C3(C(N)=O)CC3)C2)n1 1056759457 AXVNMHOLEUVETK-SNVBAGLBSA-N 314.349 -0.065 30 20 DBED C#CCOCCC(=O)NCCN(CCO)C(=O)c1cccn1C 1056988559 NYFYRHKYTRVUJT-UHFFFAOYSA-N 321.377 -0.384 30 20 DBED C=CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)[C@H](C)OCC 1057060731 NTYHXRZXWCIRFS-STQMWFEESA-N 316.398 -0.060 30 20 DBED CCc1nc(C#N)cc(N2CCCN(C(=O)C(N)=O)CC2)n1 1057222339 MVTAKIMYBLKOBL-UHFFFAOYSA-N 302.338 -0.565 30 20 DBED C=CCCCC(=O)NCCN(CCO)C(=O)CCn1ccnn1 1057436547 UHUUEBTUGUBAGA-UHFFFAOYSA-N 323.397 -0.038 30 20 DBED C=C[C@H](CC)CC(=O)NCCN(CCO)C(=O)c1cnnn1C 1057474152 CGGYXJGXZIBIMG-GFCCVEGCSA-N 323.397 -0.032 30 20 DBED N#Cc1cccnc1N1CC[C@H](NC(=O)[C@@H]2COC(=O)N2)C1 1058350061 CLKOEHFWMOCQOE-QWRGUYRKSA-N 301.306 -0.243 30 20 DBED CCOc1cc(C(=O)NCCN(CCO)C(=O)[C@H](C)C#N)[nH]n1 1058659117 SYDDPTFOGDXCBJ-SNVBAGLBSA-N 323.353 -0.481 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)CCc1cnn(C)c1 1058660613 DSDSNLOQSOBDDG-LBPRGKRZSA-N 321.381 -0.551 30 20 DBED N#Cc1cnc(N[C@H]2C[C@H](NC(=O)Cn3ncnn3)C2)c(F)c1 1059310230 GDKDUBISQWFSGW-MGCOHNPYSA-N 316.300 -0.162 30 20 DBED C=CCOCC(=O)N1CC[C@@H](CCNC(=O)c2nc[nH]n2)C1 1059337497 JLVNUXVKRIVUCP-LLVKDONJSA-N 307.354 -0.024 30 20 DBED N#Cc1nc(=NC[C@@H]2CCN(C(=O)Cc3cc[nH]n3)C2)cc[nH]1 1060837201 XZFQUBUNTNZYPB-NSHDSACASA-N 311.349 -0.004 30 20 DBED C=CCCOCC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H](C)OC 1061366740 ALKPJJLNYMRFDH-OLZOCXBDSA-N 314.382 -0.042 30 20 DBED C=CCO[C@@H](C)C(=O)NC[C@@H]1COCCN1C(=O)c1cnn[nH]1 1061670410 IZZUDPFUTFWUEE-WDEREUQCSA-N 323.353 -0.647 30 20 DBED Cc1ncn(C)c1C(=O)N1CCOC[C@@H]1CNC(=O)[C@H](C)C#N 1061852722 LYXVKOBGPDWWKY-PWSUYJOCSA-N 319.365 -0.155 30 20 DBED C=CCO[C@@H](C)C(=O)NC1(CNC(=O)Cn2cnnn2)CCC1 1062500793 ZTTUYDOGXMICRJ-NSHDSACASA-N 322.369 -0.581 30 20 DBED CC(C)C#CC(=O)NC1(CNC(=O)Cn2cnnc2O)CCC1 1062831341 AODRSGOTRUTEKE-UHFFFAOYSA-N 319.365 -0.202 30 20 DBED N#Cc1nccc(N2CCO[C@@H](CNC(=O)c3cc[nH]n3)C2)n1 1063611603 WVQHXAONTIPSEC-JTQLQIEISA-N 313.321 -0.293 30 20 DBED C#CCO[C@H](C)C(=O)N1CCO[C@@H](CNC(=O)CCOC)C1 1065155556 YJXBDPRYQRQHQD-OLZOCXBDSA-N 312.366 -0.595 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CN(C(=O)CCCN(C)C)CCO1 1065536010 UBYOJTNVYCPUCT-QWHCGFSZSA-N 310.398 -0.169 30 20 DBED N#Cc1cccnc1N[C@]1(CO)CCCN(C(=O)C(N)=O)C1 1066920780 ZYAPZRUHHGBBDA-CQSZACIVSA-N 303.322 -0.796 30 20 DBED N#Cc1nccc(N2C[C@H]3[C@H](CNC(=O)c4cnn[nH]4)[C@H]3C2)n1 1068210116 QUKJYLZTKQFEEJ-OWUUHHOZSA-N 310.321 -0.421 30 20 DBED CCN(CC)CC(=O)N1CCOC2(C1)CN(C(=O)[C@H](C)C#N)C2 1068399804 QECKIFBKDJIRFK-CYBMUJFWSA-N 322.409 -0.072 30 20 DBED C=CCCC(=O)N[C@H]1COC2(C1)CN(C(=O)[C@H]1CCC(=O)N1)C2 1068747500 KJBLFYZUCDDDCP-VXGBXAGGSA-N 321.377 -0.283 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1COC2(C1)CN(C(C)=O)C2 1068868373 NFTFFIVDGXZZAY-KGLIPLIRSA-N 323.393 -0.037 30 20 DBED C=CCN1CCn2ncc(CNC(=O)c3nnn(C)n3)c2C1 1069870889 YYASGFVDHORQNK-UHFFFAOYSA-N 302.342 -0.662 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2cc[n+]([O-])cc2)C[C@@H]1n1ccnn1 1070131976 DMDSSZOQNFFMAD-KGLIPLIRSA-N 312.333 -0.800 30 20 DBED COCC(=O)NCCC(=O)N1CCC[C@@H](NC(=O)[C@H](C)C#N)C1 1070850953 BGFXNMOEKBTNHD-VXGBXAGGSA-N 324.381 -0.594 30 20 DBED CC#CCN1C[C@@H](NC(=O)CN2CCC(=O)NC2=O)CC[C@H]1C 1071972444 VTXYZUFIVSLEEB-OLZOCXBDSA-N 320.393 -0.079 30 20 DBED C[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@@H]1NC(=O)CSCC#N 1072014822 VDYFSKAUYWCESB-ZJUUUORDSA-N 322.394 -0.351 30 20 DBED C#CCOCCC(=O)N1C[C@@H](NC(=O)CCCC(N)=O)[C@H](C)C1 1072094419 UDLKYVHSKTXUOT-CHWSQXEVSA-N 323.393 -0.355 30 20 DBED C#CCOCCC(=O)N1C[C@H](C)[C@H](NC(=O)c2cn(C)nn2)C1 1072096628 BPRUIHVPOIWESK-NWDGAFQWSA-N 319.365 -0.568 30 20 DBED C=CCN1CCC2(C1)CN(C(=O)Cn1nc(C)n(C)c1=O)C2 1073158409 VVAYQESPJNHZGU-UHFFFAOYSA-N 305.382 -0.389 30 20 DBED CC(=O)N1CCOC[C@H]1C(=O)N1CC2(CCN(CC#N)C2)C1 1073443304 JKMKCBFNALAEQP-ZDUSSCGKSA-N 306.366 -0.708 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](NC(=O)C2CC2)[C@H](C)C1 1073612116 IILPQMAGWVMQFE-DGCLKSJQSA-N 305.378 -0.111 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)c2cccn(C)c2=O)C1 1073859630 PIXBTAFQHLVFFH-CYBMUJFWSA-N 303.362 -0.161 30 20 DBED C=CCCN1CCO[C@H]2CCN(C(=O)Cn3cnnc3O)C[C@@H]21 1074219350 OIRLFQDEQRGPMM-STQMWFEESA-N 321.381 -0.139 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](NC(=O)COCC)C[C@H]1C 1074791897 NTWWNPVKGOJKOS-CHWSQXEVSA-N 323.393 -0.342 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC[C@H](C)NC(=O)Cc1nc[nH]n1 1076306481 RTQXINBJLPJKTE-IINYFYTJSA-N 309.370 -0.315 30 20 DBED C#CCC1(C(=O)N[C@@H](C)CCNC(=O)Cn2ncnn2)CCC1 1076650594 MMWYIOZSLLJDCQ-LBPRGKRZSA-N 318.381 -0.122 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC(=O)N(CC(C)C)C2)C1 1077087385 GTIGPVAZLFENQH-MGPQQGTHSA-N 309.410 -0.162 30 20 DBED C#CCOCCC(=O)N[C@@H](C)CCNC(=O)CCCC(N)=O 1077180151 LMFOEHSUOGYCKW-LBPRGKRZSA-N 311.382 -0.307 30 20 DBED C[C@@H](CCNC(=O)[C@@H]1CCC(=O)N1)NC(=O)c1ccc(C#N)[nH]1 1077637875 UXTOSKNWDWUJFY-ONGXEEELSA-N 317.349 -0.210 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CN(CC)CCO2)C1 1078209969 PBCFUDJYEYZOER-KFWWJZLASA-N 311.426 -0.165 30 20 DBED C#CCNC(=O)CC(=O)N(CC)C1CN(C(=O)CSC)C1 1079644304 CBEPYQGRAIWCAF-UHFFFAOYSA-N 311.407 -0.452 30 20 DBED CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)C2CN(C(C)=O)C2)C1 1080411664 QRTSTSMWIPFWMW-JTQLQIEISA-N 306.366 -0.316 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2nccnc2N)C1 1081348341 BKBVLJCMSRUACZ-GHMZBOCLSA-N 319.365 -0.426 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(C(=O)CCC=C)C[C@H]1O 1081489159 QLUQQIRHJKAAFP-ZIAGYGMSSA-N 308.378 -0.072 30 20 DBED CC(C)C#CC(=O)N1CCCC[C@H]1CNC(=O)[C@@H]1CNC(=O)N1 1082062335 MCFVFOSQXBOKHT-STQMWFEESA-N 320.393 -0.176 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H]2CN(Cc3ccnn3C)C[C@@H]21 1083026156 PZELAPQMQFGEEP-KWCYVHTRSA-N 303.366 -0.009 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)COc1cnn(C)c1 1083176608 DGDKTZVUQRWMEE-LSDHHAIUSA-N 318.377 -0.266 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CC(=O)N(CC)C2)C1 1083503229 KPPGPQURUNZXSE-MCIONIFRSA-N 309.410 -0.018 30 20 DBED N#CCN[C@@H]1CCCC[C@H]1NC(=O)c1nccnc1C(N)=O 1085417145 IUTUKFGVBFKOED-NXEZZACHSA-N 302.338 -0.270 30 20 DBED C#CCCN1CC[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)[C@H]1C 1088605285 NUYFJCVJZXCPKI-OLZOCXBDSA-N 318.377 -0.851 30 20 DBED COc1c(O)nc(O)nc1C(=O)N[C@H]1CCN(CC#N)[C@@H]1C 1088977623 IDDRXWUDBSYNPD-SFYZADRCSA-N 307.310 -0.387 30 20 DBED CC1CCN(C(=O)C(=O)N[C@@H]2CCN(CC#N)C[C@H]2O)CC1 1090629075 FEPQRVRLRNVTGZ-CHWSQXEVSA-N 308.382 -0.680 30 20 DBED C=CCCC(=O)N[C@@H]1CN(c2nccn3nnnc23)C[C@H]1OC 1090870528 WAYVGRSQBBPDJV-GHMZBOCLSA-N 317.353 -0.195 30 20 DBED CCOCC(=O)N[C@@H]1CN(c2ncc(C#N)cc2F)C[C@@H]1O 1091069465 LKDALITWRUMPHO-NEPJUHHUSA-N 308.313 -0.205 30 20 DBED CN(C)CCC(=O)N[C@H]1CCN(c2ccnc(C#N)n2)C[C@H]1O 1092173489 LJEPAKYEEWSNGL-NWDGAFQWSA-N 318.381 -0.644 30 20 DBED N#Cc1ccc(N2C[C@H]3C(NC(=O)C4(C(N)=O)CC4)[C@@H]3C2)nn1 1093355805 IEQLNWNCNYPARY-NXEZZACHSA-N 312.333 -0.835 30 20 DBED N#Cc1nccnc1NCCCNC(=O)[C@@H]1CCCNC1=O 1094627957 BWNGPXNDJCUBGY-SNVBAGLBSA-N 302.338 -0.207 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)c3cncnc3C)CC2=O)C1 1094705759 QBRUUZANWGDDIU-GFCCVEGCSA-N 315.377 -0.014 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)c3nccs3)CC2=O)C1 1094804077 RNGMHGSHASQOIK-JTQLQIEISA-N 304.375 -0.209 30 20 DBED CCc1cc(C(=O)N[C@H]2CC(=O)N(C3CN(CC#N)C3)C2)no1 1094809942 RJHCGLAKHCULOX-JTQLQIEISA-N 317.349 -0.225 30 20 DBED CNC(=O)NCC(=O)N1CC[C@@H](Nc2ccc(C#N)nn2)C1 1095085100 LRMMJVMGMXODIP-SNVBAGLBSA-N 303.326 -0.710 30 20 DBED CC(=O)N[C@@H](C)C(=O)N1CC[C@H](N(C)c2cncc(C#N)n2)C1 1095090434 PEYUXKIYCIERIN-GWCFXTLKSA-N 316.365 -0.090 30 20 DBED CCN(CCCNC(=O)Cn1cncn1)c1ccnc(C#N)n1 1095883764 ZRNUKUNZGPSEIV-UHFFFAOYSA-N 314.353 -0.027 30 20 DBED CCC(=O)NCC(=O)N[C@@H]1CCCN(c2cnc(C#N)cn2)C1 1096148789 JRTSADNJMBNHNQ-LLVKDONJSA-N 316.365 -0.041 30 20 DBED CNC(=O)CCCC(=O)N[C@@H]1CCN(c2ccc(C#N)nn2)C1 1096361455 AAXUTBIXYVORHQ-GFCCVEGCSA-N 316.365 -0.041 30 20 DBED CNC(=O)NCCC(=O)N[C@@H]1CCN(c2ccc(C#N)nn2)C1 1096369059 QUVDCGAVBRNJQU-LLVKDONJSA-N 317.353 -0.638 30 20 DBED Cc1cc(C#N)nc(N[C@H](CNC(=O)CNC(N)=O)C2CC2)n1 1096566511 XDKMSCNXSOBZKZ-LLVKDONJSA-N 317.353 -0.368 30 20 DBED C[C@H](CC(N)=O)C(=O)N1CC[C@H](N=c2cc[nH]c(C#N)n2)C1 1096973302 KJIHYFZNGJUULT-ZJUUUORDSA-N 302.338 -0.706 30 20 DBED C[C@H](CNC(=O)[C@@H]1CN(C)CCO1)Nc1nccnc1C#N 1097768162 HHKDWEATXVPWAE-PWSUYJOCSA-N 304.354 -0.405 30 20 DBED Cc1cc(C#N)nc(N[C@@H](C)CNC(=O)[C@H]2C[C@H]2C(N)=O)n1 1098270373 IOTMJWOVDVOTIR-GDPRMGEGSA-N 302.338 -0.305 30 20 DBED C=CCNCc1cn([C@@H]2CCN(C(=O)CNC(C)=O)C2)nn1 1098600672 FVKGZUWVBDHSLR-CYBMUJFWSA-N 306.370 -0.537 30 20 DBED Cn1nccc1C(=O)N1CC[C@@H](n2cc(CNCC#N)nn2)C1 1098629097 HEDFPVZUYRTIIJ-GFCCVEGCSA-N 314.353 -0.288 30 20 DBED CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)CN2CCOCC2=O)C1 1098877148 MPKNOMARIGAEIL-YOEHRIQHSA-N 319.405 -0.161 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)c2ccccc2)[C@H](O)C1 1099622681 BSBBUVLFMJLSMQ-LSDHHAIUSA-N 315.373 -0.399 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)CCCC(C)=O)[C@@H](O)C1 1099673304 WBYHBZPESVPJPU-KBPBESRZSA-N 323.393 -0.954 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)CCOCC)[C@H](O)C1 1099730204 SIKHWXLVBFESKU-QWHCGFSZSA-N 313.398 -0.733 30 20 DBED C#CCCCCC(=O)N[C@H]1CCN(CC(=O)NCC)C[C@H]1O 1099785200 BTPZSMKSDZPNMM-UONOGXRCSA-N 309.410 -0.133 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CCCCNC(N)=O)[C@@H](O)C1 1099909317 QXLVRERFYTYRNH-OLZOCXBDSA-N 310.398 -0.600 30 20 DBED C=C(C)C(C)(C)C(=O)N[C@H]1CCN(Cc2nnnn2C)C[C@@H]1O 1099947689 ZETMUOJPAVTPPN-RYUDHWBXSA-N 322.413 -0.136 30 20 DBED CN(CCNC(=O)c1ccc(C#N)[nH]1)c1nccn2nnnc12 1100035649 KXIDIHYRDUJKKS-UHFFFAOYSA-N 311.309 -0.415 30 20 DBED C[C@H]1C[C@@H](C(=O)NCCN(C)c2ccnc(C#N)n2)CC(=O)N1 1100211298 JJRCYSSIPWHPDL-WDEREUQCSA-N 316.365 -0.185 30 20 DBED C#CCNC(=O)CC(=O)NCCN(CC)c1ccc(C#N)nn1 1100496835 HGXUXWNGGYACTL-UHFFFAOYSA-N 314.349 -0.570 30 20 DBED CCN(CCNC(=O)C[C@@H]1CCC(=O)N1)c1nccnc1C#N 1100568377 DWLWULUMLATMQN-NSHDSACASA-N 316.365 -0.041 30 20 DBED CCCN(CCNC(=O)[C@H]1CCC(=O)N1)c1ccnc(C#N)n1 1101107599 NEYYGPAWYZMPOB-LLVKDONJSA-N 316.365 -0.041 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H]2CN([C@@H](C)COC)C[C@@]2(C)C1 1101207904 YBHWBUHZEVPEAR-VBQJREDUSA-N 321.421 -0.059 30 20 DBED C[C@@H](CC(N)=O)C(=O)NCCN(c1cnc(C#N)cn1)C1CC1 1101431014 WHTLGNWNBOCEBQ-JTQLQIEISA-N 316.365 -0.055 30 20 DBED N#Cc1cncc(N(CCNC(=O)C2(C(N)=O)CC2)C2CC2)n1 1101442828 GGWNQXHKWDNHCA-UHFFFAOYSA-N 314.349 -0.301 30 20 DBED C#CCCN1C[C@@H](C)[C@H](CNC(=O)[C@@H](C)NS(C)(=O)=O)C1 1102404789 MPGYGLMRJBTRBO-JHJVBQTASA-N 315.439 -0.369 30 20 DBED CC[C@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)Nc1nccnc1C#N 1103261801 UAHJVFBLNYVABE-KOLCDFICSA-N 317.353 -0.321 30 20 DBED COC[C@H](C)C(=O)N1C[C@@H](C)[C@H](CCNCC(=O)NCC#N)C1 1103986891 JHXXEYAKXQOGKH-HZSPNIEDSA-N 324.425 -0.017 30 20 DBED C[C@H](CNC(=O)Cn1ncnn1)CNc1ccc(C#N)nn1 1104095525 XQMUGJFMUDFWOH-VIFPVBQESA-N 301.314 -0.801 30 20 DBED C[C@@H](CNC(=O)Cn1ncnn1)CNc1cncc(C#N)n1 1104095570 ZJGNNLVHIMHWOX-SECBINFHSA-N 301.314 -0.801 30 20 DBED CC(C)[C@@H](CNC(=O)Cn1cnnn1)Nc1nccnc1C#N 1105105670 BCZSEYONLZZOJW-LLVKDONJSA-N 315.341 -0.412 30 20 DBED CC(C)[C@H](CNC(=O)Cn1cncn1)N=c1cc[nH]c(C#N)n1 1105186822 AIBFEWMMPWQDQH-NSHDSACASA-N 314.353 -0.385 30 20 DBED COC[C@@H](C)C(=O)NC[C@H](O)CN=c1cc(C)[nH]cc1C#N 1105746097 CHJYWXJRLQPQSP-ZWNOBZJWSA-N 306.366 -0.145 30 20 DBED Cc1cc(=NC[C@H](O)CNC(=O)c2cnc(C)[nH]2)c(C#N)c[nH]1 1105750748 PHWJKAIEYNVXKS-LBPRGKRZSA-N 314.349 -0.082 30 20 DBED N#Cc1nc(=NC[C@H](O)CNC(=O)c2ccns2)cc[nH]1 1105988117 AIGZHTAMDFTJEQ-QMMMGPOBSA-N 304.335 -0.571 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)C[C@@H]2NC(=O)NC2=O)C[C@H]1C 1106266439 JUPUPIFLWBGAJD-UTUOFQBUSA-N 306.366 -0.708 30 20 DBED CNC(=O)C1(C(=O)NC/C=C\CNc2cncc(C#N)n2)CC1 1107251920 AYDCAJAUJZPIKU-IHWYPQMZSA-N 314.349 -0.041 30 20 DBED CCN1CCO[C@@H](C(=O)N[C@H](C)CNc2ccc(C#N)nn2)C1 1107775949 JSZHNBLHOPDXTQ-DGCLKSJQSA-N 318.381 -0.014 30 20 DBED C=CCOCC(=O)NC[C@]1(C)CN(Cc2nncn2C)CCO1 1107810645 FNBAULPCGTZNTA-OAHLLOKOSA-N 323.397 -0.275 30 20 DBED CC#CCN1CCO[C@@](C)(CNC(=O)[C@@H]2CN(C)CCO2)C1 1107839653 RORGVJXRJDLCJE-HOCLYGCPSA-N 309.410 -0.453 30 20 DBED C[C@H](C(=O)NC[C@@]1(C)CN(CC#N)CCO1)S(C)(=O)=O 1108028354 DSQMBWOSPIDRTA-PWSUYJOCSA-N 303.384 -0.850 30 20 DBED CCCC(=O)NCC(=O)N[C@@H](C)CN=c1cc[nH]c(C#N)n1 1108280368 YWONPAQESTUTPA-JTQLQIEISA-N 304.354 -0.397 30 20 DBED C#CCCN1CC(N2C[C@H](NC(=O)C[C@](C)(O)C=C)CC2=O)C1 1108539067 UXIBYTLWCYIOSP-CXAGYDPISA-N 319.405 -0.262 30 20 DBED N#CCN1CC(N2C[C@@H](NC(=O)[C@@H](F)C(F)(F)F)CC2=O)C1 1108548793 WTISSPVVWSHHQS-OIBJUYFYSA-N 322.262 -0.188 30 20 DBED N#Cc1nccnc1NC[C@H](NC(=O)[C@@H]1CCNC1=O)C1CC1 1109945493 HBIJPLFBEOGDAI-PWSUYJOCSA-N 314.349 -0.209 30 20 DBED C[C@H](CC(N)=O)C(=O)N[C@@]1(C)CCN(c2ccnc(C#N)n2)C1 1110802695 SZJQCQMIHRFBKQ-BMIGLBTASA-N 316.365 -0.055 30 20 DBED CN(CCCN(C)c1ccnc(C#N)n1)C(=O)Cn1nccn1 1112129890 MYMMQCCNAYUQHK-UHFFFAOYSA-N 314.353 -0.075 30 20 DBED Cn1[nH]c(CN2CCN(C(=O)CSCC#N)CC2)nc1=O 1112629185 TVGRPBJAVOZSIR-UHFFFAOYSA-N 310.383 -0.991 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)c2cnsn2)CC1 1112645022 GNPYBJFVEKKXTG-SNVBAGLBSA-N 307.379 -0.566 30 20 DBED CSCC(=O)NC[C@H]1CN(c2ccc(C#N)nn2)C[C@H]1O 1112696631 CSRIWQSYVACEIY-GXSJLCMTSA-N 307.379 -0.375 30 20 DBED N#Cc1cnc(N2C[C@H](CNC(=O)C#CC3CC3)[C@@H](O)C2)cn1 1112720138 GNFLVUAJGUSIAF-JSGCOSHPSA-N 311.345 -0.325 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@H]2OCC[C@H]2CC)CC1 1112982247 GOAGTJSFQYHLFG-HIFRSBDPSA-N 307.394 -0.305 30 20 DBED C#Cc1ccc(C(=O)N2CCN(C[C@@H](O)COC)CC2)nc1 1113559420 SOJGPRORWGAQGA-CQSZACIVSA-N 303.362 -0.172 30 20 DBED C[C@H](CNC(=O)C(=O)NCC1CC1)N(C)c1ccnc(C#N)n1 1113692068 LKSNITVLHDAGTA-SNVBAGLBSA-N 316.365 -0.185 30 20 DBED NC(=O)NCC(=O)N[C@H]1[C@@H]2CN(CC#Cc3ccccc3)C[C@@H]21 1113849585 MBRZBQTUGCJJDQ-FOLVSLTJSA-N 312.373 -0.247 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CN(c2nccnc2C#N)CC[C@H]1C 1113995056 WQSIAYQSJQZQDT-ZWNOBZJWSA-N 316.365 -0.185 30 20 DBED C=CCOCC(=O)NC1[C@@H]2CN(Cc3nnnn3C3CC3)C[C@@H]12 1114054311 NAEHAJUYSDNMQA-VXGBXAGGSA-N 318.381 -0.243 30 20 DBED C=CCOCCCC(=O)N[C@H]1[C@@H]2CN(CC(=O)NC(N)=O)C[C@@H]21 1114111680 NACAJQBHFHXDRI-YABSGUDNSA-N 324.381 -0.790 30 20 DBED Cc1cc(C(=O)NC2[C@H]3CN(CC(=O)NCC#N)C[C@H]23)co1 1114173605 DKLIDEPBLMSJNX-RYUDHWBXSA-N 302.334 -0.112 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)Cc3ccnn3C)[C@@H]2C1 1114185806 BODTXMHBQIJWBS-ZIAGYGMSSA-N 302.378 -0.341 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCCC)C[C@@H]21 1114271612 YDXNAKXYFMYXBB-RMRHIDDWSA-N 307.394 -0.403 30 20 DBED C=CCCN1C[C@H]2[C@H](NC(=O)CN(C)S(C)(=O)=O)[C@H]2C1 1114363318 BNWXRPMLECYGIR-PJXYFTJBSA-N 301.412 -0.500 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)CCCCC(N)=O)[C@H]2C1 1115101101 PFDGDMUGZGOHRD-VIKVFOODSA-N 307.394 -0.272 30 20 DBED CC(=O)NCC(=O)N1CCC(N(C)c2ccnc(C#N)n2)CC1 1115124845 CNRXGHUNKGJXKP-UHFFFAOYSA-N 316.365 -0.088 30 20 DBED CCOC(=O)[C@@H](C)NC(=O)CCN/C(O)=C1/N=CC=CC1=O 1116063083 ZZMWFQYGAOGHAW-MMZVIXLHSA-N 309.322 -0.029 30 20 DBED C=C[C@H]1CCCCN1C(=O)C(=O)Nc1ncn(CC(=O)NC)n1 1116831197 OWIVDATZIZVWKA-JTQLQIEISA-N 320.353 -0.470 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)NCCOCC2CCC2)C1 1118243608 ZHJATKDSWURZLF-HNNXBMFYSA-N 309.366 -0.204 30 20 DBED CCC[C@H](C(=O)NC1(C#N)CCN(C)CC1)S(N)(=O)=O 1118646221 OLTXUVAGRDREMS-SNVBAGLBSA-N 302.400 -0.452 30 20 DBED COCCOCC(=O)NC[C@@H](CO)Nc1nc(C)ccc1C#N 1121213157 NCGGZKOMBBAECI-ZDUSSCGKSA-N 322.365 -0.186 30 20 DBED COCc1nc(N[C@@H](CO)CNC(=O)[C@H](C)C#N)cc(OC)n1 1121214088 WNEVLNBHKFWURI-NXEZZACHSA-N 323.353 -0.320 30 20 DBED N#Cc1nccnc1N[C@H](CO)CNC(=O)Cc1ncc[nH]1 1121977356 OTAJNLHUVCYBOQ-VIFPVBQESA-N 301.310 -0.797 30 20 DBED Cc1c[nH]nc1C(=O)N(C)C[C@@H](O)CNc1ccc(C#N)nn1 1124284031 VBCPXQOJEDPDNI-NSHDSACASA-N 315.337 -0.075 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C[C@H](O)CNc1ccc(C#N)nn1 1124520875 XDWNTQJFTFKDBL-DGCLKSJQSA-N 317.349 -0.382 30 20 DBED C=CCOCC(=O)NCCNC[C@@H]1CCN(S(C)(=O)=O)C1 1124768363 YKLLOKBYLIVAJB-LBPRGKRZSA-N 319.427 -0.824 30 20 DBED C=C(C)CN(CC)C(=O)CNCCNC(=O)c1nccnc1N 1125029522 YQLOKEATJDYSDO-UHFFFAOYSA-N 320.397 -0.197 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCNCC(=O)N[C@H](C)C(C)C 1129770357 DTLIDZFJDBSDNR-CABCVRRESA-N 322.453 -0.050 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)[C@@H]1CO[C@@H](C)C1 1130505507 XWTQEOJYSNQJJB-STQMWFEESA-N 310.398 -0.121 30 20 DBED C=CCCN1CCOC[C@@H]1c1n[nH]c(CNC(=O)CC(N)=O)n1 1130839313 KZJNXPNFIBBGPA-SNVBAGLBSA-N 322.369 -0.754 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)C4(C(=O)NC)CC4)C[C@@]3(C1)O2 1131276383 ATUGIVJGVZXEOK-OGHNNQOOSA-N 317.389 -0.553 30 20 DBED C[C@@H]1CC[C@@H](NC(=O)c2cnsn2)CN1CC(=O)NCC#N 1131849381 RXQWKCPNTYSHCW-NXEZZACHSA-N 322.394 -0.239 30 20 DBED C=CCNC(=O)CN1C[C@H](NC(=O)CNC(=O)CC)CC[C@@H]1C 1131908761 MZLOHKCBEQDEEU-QWHCGFSZSA-N 324.425 -0.216 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CC[C@H](C)N(CC(=O)N(C)C)C1 1131979852 CHQDWRSJFAEKHU-QWHCGFSZSA-N 322.409 -0.817 30 20 DBED C=CCOCCNCCNC(=O)Cn1nc2ccccn2c1=O 1132141089 CSOPQRMRHOOMRP-UHFFFAOYSA-N 319.365 -0.596 30 20 DBED C[C@@H]1CCN(C(=O)c2cn(C)c(=O)nc2O)C[C@H]1CNCC#N 1133314576 OOTVOFUXMBLWQS-GHMZBOCLSA-N 319.365 -0.303 30 20 DBED C=C1CC(C)(C(=O)NCCNC[C@H](O)CN2C(=O)CCC2=O)C1 1133565625 DUUSSHLATQYXAM-LBPRGKRZSA-N 323.393 -0.442 30 20 DBED C=CCn1cc(C(=O)NCCNCCc2cnn(C)c2)nn1 1134970026 OHZUCSJIAMCILE-UHFFFAOYSA-N 303.370 -0.240 30 20 DBED C#CCN[C@@H](C)C[C@H](C)NC(=O)c1c[nH]nc1S(N)(=O)=O 1135458960 BKTGGYYTHPXUGW-IUCAKERBSA-N 313.383 -0.823 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC2(CCN(CC(=O)N3CCC3)C2)C1 1147531030 WDIJIJUSBMGFFC-AWEZNQCLSA-N 319.405 -0.209 30 20 DBED C=CCOCCN1CCCO[C@H](CNC(=O)Cc2nc[nH]n2)C1 1150580153 SDUADCFSVQCIGW-CYBMUJFWSA-N 323.397 -0.243 30 20 DBED C#CCN1CCC(C(=O)NCCNCc2nncn2C)CC1 1152334538 GPSZEYWLRFNKTA-UHFFFAOYSA-N 304.398 -0.634 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)[C@@]12COC[C@@H]1C2 1153458791 MVULAEWMSDIOGZ-WWGRRREGSA-N 307.394 -0.401 30 20 DBED CC(C)CNC(=O)NC(=O)CNCCCNC(=O)[C@H](C)C#N 1155849053 SLAGZRVTNYROES-LLVKDONJSA-N 311.386 -0.276 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)c2cnn(CC)n2)C1=O 1157525313 DAFSEEVEEKBTQR-GFCCVEGCSA-N 320.397 -0.206 30 20 DBED CN(CC#N)C[C@H]1CCCCN1C(=O)CC[C@@H]1NC(=O)NC1=O 1158838420 XVXSQHFHCXDINP-NEPJUHHUSA-N 321.381 -0.189 30 20 DBED COCC#CCNCCCNC(=O)c1cnc2n1CCOC2 1160337216 XEVABPQCHZSUFJ-UHFFFAOYSA-N 306.366 -0.227 30 20 DBED CCc1c(C(=O)NCCCNCC(=O)NCC#N)cnn1C 1161746565 QLUNKJRMMNLUBF-UHFFFAOYSA-N 306.370 -0.668 30 20 DBED C#CCNC(=O)CNCC1(CCNC(=O)[C@H](C)COC)CC1 1163784813 OBXGBAOUJLFGQH-CYBMUJFWSA-N 309.410 -0.106 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)Cc1cnn(CC)c1 1170820704 UNGXYLHPMLIKSJ-CYBMUJFWSA-N 319.409 -0.321 30 20 DBED C[C@H](CCCCNCC(=O)NCC#N)NC(=O)CCN(C)C 1175056742 PDCMRMBSMAQEFZ-CYBMUJFWSA-N 311.430 -0.158 30 20 DBED C#CCN1CCC(C(=O)NCCCNC[C@@H](O)COC)CC1 1176926644 QZVVGGBZWAHJIZ-OAHLLOKOSA-N 311.426 -0.565 30 20 DBED C=CCO[C@H](C)C(=O)NCCCN[C@H](C)C(=O)NC(=O)NC 1177277101 MCTFNVHGTDSFHJ-GHMZBOCLSA-N 314.386 -0.483 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)C2=COCCO2)[C@H]1C 1178054364 IWDPNYCJXMHEED-RYUDHWBXSA-N 307.350 -0.797 30 20 DBED C#CCNC(=O)[C@H](C)NCCCCCCNC(=O)CC(N)=O 1178085164 PBYISYMKDMHYNK-LBPRGKRZSA-N 310.398 -0.734 30 20 DBED C[C@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)c1cnns1 1178188688 MJAUDNBRLUCIKU-IUCAKERBSA-N 308.367 -0.630 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)C[C@H]2COC(=O)C2)[C@H]1C 1178467767 OEOOYECFVLUMCF-XQQFMLRXSA-N 323.393 -0.179 30 20 DBED C=CCOCC(=O)N1CC[C@@H](NCCN(C)S(C)(=O)=O)C1 1181618749 YHZGEMDOTPIETI-GFCCVEGCSA-N 319.427 -0.729 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@@H](NCCCS(C)(=O)=O)C1 1182472459 DCKPITLTMRUZLT-CHWSQXEVSA-N 316.423 -0.350 30 20 DBED C=CCNC[C@@H]1CN(C(=O)CNC(=O)NC)CC12CCOCC2 1186402159 HAXDNQJDJMYIOM-CYBMUJFWSA-N 324.425 -0.054 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2cncnc2)C1 1189760988 SOUFTJJGHXAKQW-ZDUSSCGKSA-N 301.350 -0.628 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC[C@H](N(C)Cc2nc(=O)n(C)[nH]2)C1 1189917879 LHTIZMZNSNFSPB-NHYWBVRUSA-N 323.397 -0.532 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(Cc2cn(CC)nn2)C[C@H]1O 1191777014 CKRRLDUCZNKGNO-CHWSQXEVSA-N 309.370 -0.838 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)c2cncc(C)c2)C1 1191987770 KHDIAUMNOHXZPS-HUUCEWRRSA-N 303.362 -0.185 30 20 DBED C#CCN(C)[C@H]1CCN(C(=O)CS(=O)(=O)NC(C)(C)C)C1 1194104215 NMZNHEMHZGAVOD-LBPRGKRZSA-N 315.439 -0.130 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)COCCOc2ccccc2)C1 1194352405 MZVDATWTXGYUJN-HUUCEWRRSA-N 319.361 -0.233 30 20 DBED C[C@@H]1CO[C@H](C(=O)N2CCCN(CC(=O)NCC#N)CC2)C1 1196574431 PFXBOSDMJXCTIJ-STQMWFEESA-N 308.382 -0.415 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)Cc2cnc[nH]2)CC1 1197269323 KQVADAAQYRZRKO-UHFFFAOYSA-N 305.382 -0.211 30 20 DBED C[C@@H](C#N)C(=O)N1CCCO[C@H](CNCC(=O)N(C)C2CC2)C1 1200114103 AQALBXMBKVDGPJ-GXTWGEPZSA-N 322.409 -0.026 30 20 DBED C#CCNC[C@@H]1CN(C(=O)COC[C@@H]2CCOC2)CCCO1 1201546940 NYZROPOZSVCIAF-HUUCEWRRSA-N 310.394 -0.120 30 20 DBED CCn1nncc1C(=O)N[C@@H]1CN(CC#CCOC)C[C@H]1C 1206929692 XGVXMRJGMDMUDY-CHWSQXEVSA-N 305.382 -0.002 30 20 DBED CCS(=O)(=O)N[C@@H](C)C(=O)N1CCC[C@@H](NCC#N)C1 1208108870 CTDYQHBRZTUMEG-WDEREUQCSA-N 302.400 -0.582 30 20 DBED CC#CCCCC(=O)N[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1C 1208371490 XYMOYLDORHFONO-VXGBXAGGSA-N 308.382 -0.189 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCCN(C(=O)c2csnn2)C1 1208805681 FVNRESIGAOPXRA-WDEREUQCSA-N 321.406 -0.130 30 20 DBED C=CCCN1C[C@@H](NC(=O)[C@@H](C)NS(C)(=O)=O)[C@H](C)C1 1208924041 JDDADCFNTALUML-IJLUTSLNSA-N 303.428 -0.063 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)Cc1cncn1C 1210284725 RZXSHSBYYSFNPD-DGCLKSJQSA-N 318.381 -0.961 30 20 DBED Cc1nccc(C(=O)N2CCC[C@@H](NCC(=O)NCC#N)C2)n1 1211113329 SCZMWTJYNRVJLD-GFCCVEGCSA-N 316.365 -0.381 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)C2CCCC2)[C@H](OC)C1 1211754753 IYADFRUCGXSXCO-ZIAGYGMSSA-N 307.394 -0.259 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)[C@@H](C)C2CC2)[C@H](OC)C1 1212080872 CGUXMNDXBPFUPM-IACUBPJLSA-N 307.394 -0.403 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)CCc2ccon2)C[C@H]1C 1215144103 JYLRONLYZGXUMK-TZMCWYRMSA-N 318.377 -0.207 30 20 DBED COc1ccc(C(=O)N2C[C@@H](NCC(=O)NCC#N)[C@H](C)C2)o1 1216036632 ZDFBWYZGVLUKDX-GHMZBOCLSA-N 320.349 -0.022 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)COC(C)C 1217420603 OARXZOFQVSBEPH-UONOGXRCSA-N 323.393 -0.928 30 20 DBED C#CCO[C@H](C)C(=O)N1CCO[C@@H]2CN(CC(=O)NCC)C[C@@H]21 1217869129 REEOXRRXIUHLNE-HZSPNIEDSA-N 323.393 -0.928 30 20 DBED C#CCOCCC(=O)N1CCO[C@@H]2CN([C@H](CC)C(N)=O)C[C@@H]21 1217887617 RDAXPYQSEVXVJI-HZSPNIEDSA-N 323.393 -0.798 30 20 DBED C=C(C)CCC(=O)N[C@@H]1CN(CCN2CCNC2=O)C[C@@H]1O 1219718472 FOGLKZZJKICGRU-OLZOCXBDSA-N 310.398 -0.471 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1CN(CCNC(=O)C2CC2)C[C@@H]1O 1220147496 CTUCAHGAGKFPBR-OLZOCXBDSA-N 309.410 -0.114 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN([C@H](C)C(=O)NC(N)=O)C[C@@H]2O)C1 1220320944 OBPPIIFMIPTYQO-MXWKQRLJSA-N 324.381 -0.913 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](NC(=O)C(C)(C)S(C)(=O)=O)C1 1220463384 LFSYQQWKZPFRQW-NEPJUHHUSA-N 318.439 -0.063 30 20 DBED CN1CCC[C@H]1C(=O)N1C[C@H]2CCN(CC(=O)NCC#N)C[C@H]21 1221446788 VBKBVFUCTDSQLM-HZSPNIEDSA-N 319.409 -0.747 30 20 DBED C=CCOCCN[C@H]1CCCN(C(=O)C[C@@H]2CC(=O)NC2=O)C1 1222157298 LMJDSCUBNMWXBQ-STQMWFEESA-N 323.393 -0.178 30 20 DBED N#CCNC(=O)CN1CCC(CNC(=O)C2=COCCO2)CC1 1222288360 BIGNQFXTEPTGRC-UHFFFAOYSA-N 322.365 -0.657 30 20 DBED N#CCNC(=O)CN1CCC(NC(=O)C2CCC(O)CC2)CC1 1227147385 VNIMXIJSCMKPMX-UHFFFAOYSA-N 322.409 -0.242 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@H]1CN(C)C(=O)CNC(=O)OC 1230925939 RGAGRILFYLNTCT-RYUDHWBXSA-N 324.381 -0.987 30 20 DBED COc1cncnc1NC(=O)C(=O)N1CC[C@](O)(CC#N)C1 1261461369 JUPQXUBGQUPMBT-CYBMUJFWSA-N 305.294 -0.699 30 20 DBED C=CCNC(=O)[C@H](C)NC[C@H]1CCCN1C(=O)c1cnon1 1270280925 AQKZLKIOWIXEGO-WDEREUQCSA-N 307.354 -0.046 30 20 DBED CN(CCN1CCOCC1)C(=O)C(=O)Nc1cnn(CC#N)c1 1321655875 OMXFMOVFWFRKDQ-UHFFFAOYSA-N 320.353 -0.864 30 20 DBED C#CCOCCNC(=O)C(=O)NCCn1cnc2ccccc21 1322039267 HWQPBBCGIWHNLO-UHFFFAOYSA-N 314.345 -0.082 30 20 DBED O=C1C=CC=N/C1=C(\O)NCCNS(=O)(=O)c1ncc[nH]1 1324399914 RTIVMGKHQKFVMA-KTKRTIGZSA-N 311.323 -0.786 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)NCC[C@@H]2CCCCO2)C1 1326098173 UBURWZFBRWHSJU-WFASDCNBSA-N 309.366 -0.061 30 20 DBED C=CCOCCNC(=O)C(=O)N[C@@H](C)CO[C@@H]1CCOC1 1330760979 MQDSSXNRMXJDPU-NWDGAFQWSA-N 300.355 -0.385 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1Cn1nnnc1N1CC(=O)N[C@H](C)C1 1344129153 BJGQBWZWAYWCJI-WZRBSPASSA-N 306.370 -0.021 30 20 DBED C#CCOCCN(C)C(=O)CN1C(=O)NC2(CCCC2)C1=O 1351156271 KHTWISMHFBBNTN-UHFFFAOYSA-N 307.350 -0.041 30 20 DBED CO[C@H](C)CN(C)C(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1351845670 BJAPDCGCVPLVHT-DGCLKSJQSA-N 308.382 -0.322 30 20 DBED CC#CCn1nnnc1N1CCC(CNS(C)(=O)=O)CC1 1355789983 POQVSHSLXVLKTJ-UHFFFAOYSA-N 312.399 -0.538 30 20 DBED C#CCNC(=O)C1CCN(c2nnc(CCO)n2CC)CC1 1356296514 IZPGFGBIAADCMQ-UHFFFAOYSA-N 305.382 -0.201 30 20 DBED CC[C@](C)(NC(=O)Cn1cc(C#N)c(O)nc1=O)C(=O)OC 1362016763 OXILLYCIPYMUBA-ZDUSSCGKSA-N 308.294 -0.722 30 20 DBED CN(C)C(=O)Cn1cc(NC(=O)N2CC[C@](O)(CC#N)C2)cn1 1365040278 JDOOHKZWFJULTH-CQSZACIVSA-N 320.353 -0.146 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](C)NC(=O)Cn1nnc2c1CCCC2 1377337421 IOYQHTQQCVSGSL-WDEREUQCSA-N 318.381 -0.063 30 20 DBED CNC(=O)NCC(=O)N1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 1385317407 ZXLKFCZEOFUKAK-SNVBAGLBSA-N 318.337 -0.854 30 20 DBED C=C(Cl)CNC[C@H]1CCN(C(=O)CS(=O)(=O)NC)C1 1399234953 HOVRTQYLRBADJQ-SNVBAGLBSA-N 309.819 -0.274 30 20 DBED CC(=O)N(C)CC(=O)NC[C@H]1CN(C(=O)[C@@H](C)C#N)CCCO1 1406036998 WIPQKTQOGXUALM-AAEUAGOBSA-N 324.381 -0.642 30 20 DBED CCN1CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)C[C@@H]1C 1411934320 RAUAVPHCBICUSC-JTQLQIEISA-N 305.338 -0.627 30 20 DBED COC(=O)CNC(=O)[C@H]1CCCN1c1nc(C)cc(C#N)n1 1421159987 LJUGSHGKTPSSKI-LLVKDONJSA-N 303.322 -0.085 30 20 DBED Cn1cc(C[C@@H](CO)NS(=O)(=O)CC(C)(C)C#N)cn1 1424261278 VYUAORSEZGZYII-NSHDSACASA-N 300.384 -0.207 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CCCN2C(N)=O)C1 1445922039 ORPOXLVOZAVUIT-WYUUTHIRSA-N 321.381 -0.300 30 20 DBED CC(=O)N(C)CC(=O)N1CC[C@@H](CN(C)C(=O)[C@H](C)C#N)C1 1456082479 VGYZRLFCNFYPDT-YPMHNXCESA-N 308.382 -0.069 30 20 DBED CC#CCCCC(=O)N[C@H]1CCN(CCNS(C)(=O)=O)C1 1481691888 QJYISICSEIGBGK-ZDUSSCGKSA-N 315.439 -0.080 30 20 DBED CCN(CCNC(=O)CCS(C)(=O)=O)C(=O)[C@@H](C)C#N 1496822646 LKIGSFHXMAOCCL-JTQLQIEISA-N 303.384 -0.455 30 20 DBED CCCN(C)CC(=O)NC[C@H](O)CNC(=O)c1cc(C#N)c[nH]1 1501480632 ZXRQKROIALGFFJ-LBPRGKRZSA-N 321.381 -0.565 30 20 DBED Cn1ccnc1C(=O)[C@@H](C#N)C(=O)CCN1CCCS1(=O)=O 1516728654 JCPCUGIRFSDVHD-JTQLQIEISA-N 324.362 -0.263 30 20 DBED C=CCn1c(CCOC)nnc1N1CCO[C@H](CNC(C)=O)C1 1520295583 CBYZLIHZYLLRTG-CYBMUJFWSA-N 323.397 -0.006 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@@H](NC(=O)c2cnn(C)c2C)C1 1566654811 JJPVTHDYHCHLLQ-QWHCGFSZSA-N 317.393 -0.329 30 20 DBED CC[C@H](C)C[C@@H](NS(=O)(=O)N1CCO[C@H](C#N)C1)C(=O)O 1573676497 ABGCJPXRICVCKE-HBNTYKKESA-N 319.383 -0.065 30 20 DBED C#CC[C@]1(C(=O)NCCCN2CCC[C@H]2C(N)=O)CCCN1 1574516846 IXHCYFHNWKBGOH-XJKSGUPXSA-N 306.410 -0.412 30 20 DBED C#CCN(CC#C)c1nnc(-c2cnccn2)n1CC1(N)COC1 1574623021 YJJGKYCHMPRBGC-UHFFFAOYSA-N 323.360 -0.464 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)NCCN(C)Cc1cnn[nH]1 1575109410 ZCQCSWLYSCVRLT-UHFFFAOYSA-N 323.401 -0.384 30 20 DBED CCN(C)C(=O)[C@@H](C)Nc1cnc(C#N)c(-c2nn[nH]n2)n1 1577844953 UANQMIAQWDVVCG-SSDOTTSWSA-N 301.314 -0.193 30 20 DBED CC(C)[C@H](NS(C)(=O)=O)C(=O)N(CC#N)CCC(=O)O 1591036440 UTUYEWDOYMVXCU-JTQLQIEISA-N 305.356 -0.613 30 20 DBED N#CC1(NC(=O)COC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCC1 1592671055 YZHPIJOTUKMXDX-UHFFFAOYSA-N 315.293 -0.086 30 20 DBED COC(=O)C1=NO[C@]2(CCN(C(=O)[C@@](C)(C#N)CC(=O)O)C2)C1 1593815428 FOCKUTRYYGHWJA-ZIAGYGMSSA-N 323.305 -0.089 30 20 DBED N#Cc1cn(CC(=O)NC2(CC(=O)O)CCCC2)c(=O)nc1O 1601129144 NWIAEIVZBKUXRN-UHFFFAOYSA-N 320.305 -0.276 30 20 DBED C=CC(C)(C)CC(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@@H]2C(=O)O)C1 1602805534 AAUCRTXAXRCMRJ-MNOVXSKESA-N 324.377 -0.001 30 20 DBED CC#CC[C@H](NS(=O)(=O)c1ccc(C(=O)O)nc1)C(=O)O 1602946128 OXHGHRCEJBYJDA-JTQLQIEISA-N 312.303 -0.075 30 20 DBED C#C[C@H](NC(=O)N1CCN(C)C[C@@H](C(=O)O)C1)[C@@H]1CCCO1 1609054269 DSHVKLSZYZQZNW-AGIUHOORSA-N 309.366 -0.175 30 20 DBED N#Cc1cccc([C@@H](C(=O)O)N2CCN3C(=O)NC(=O)[C@H]3C2)c1 1610630295 NEKUXTOZBYRBPS-NEPJUHHUSA-N 314.301 -0.080 30 20 DBED C#CCCNC1CCC(NC(=O)CNS(=O)(=O)NC)CC1 1752851267 HEXWFECMGMBBGZ-UHFFFAOYSA-N 316.427 -0.920 30 20 DBED C#CCCNCC[C@@H]1CCCN(C(=O)Cn2ncn(C)c2=O)C1 1753550518 SHABXHXEUPWMNL-AWEZNQCLSA-N 319.409 -0.177 30 20 DBED CN(CC#N)CCN(C)C(=O)[C@H]1COCCN1CC(F)F 1753858665 KRTDNHJFLLGQTL-LLVKDONJSA-N 304.341 -0.134 30 20 DBED C=C(C)CN(CC)C(=O)CNC[C@H]1CCC[C@H]1NC(=O)C(N)=O 1753896845 YBPHKWJOOBEMJO-CHWSQXEVSA-N 324.425 -0.229 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N1CC[C@H]1CNC(=O)C(F)F 1754469035 ROIKYXAFBRREQI-BDAKNGLRSA-N 318.324 -0.158 30 20 DBED CC#CCN(C)CCOCCNC(=O)c1ccc(=O)n(C)n1 1755545925 FUOAGVZDNHIPJF-UHFFFAOYSA-N 306.366 -0.518 30 20 DBED C#CCN(C)C[C@H](O)CN(C)C(=O)[C@H]1CCc2cnn(C)c2C1 1755803930 FEJCALQSVJUKSQ-ZFWWWQNUSA-N 318.421 -0.091 30 20 DBED C=CC(C)(C)C(=O)NCC1[C@@H]2CN(C(=O)CNC(=O)NC)C[C@@H]12 1756206556 LWLLRMXYBFYXJD-RYUDHWBXSA-N 322.409 -0.052 30 20 DBED C=CCOCCCC(=O)N1C[C@H](NC(=O)CC(N)=O)C[C@H]1C 1756584474 WSLYUZICOBRXEN-VXGBXAGGSA-N 311.382 -0.050 30 20 DBED C=CCCOCC(=O)N(C)C1CC(NC(=O)[C@@H]2CCC(=O)N2)C1 1756742455 FINHHVWJPNSCPV-BPCQOVAHSA-N 323.393 -0.037 30 20 DBED C=C(C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(O)nn2)C1 1756976179 ASSXGVBMFCCTGZ-VXGBXAGGSA-N 320.349 -0.160 30 20 DBED C=CCCCC(=O)N1C[C@H](O)[C@H](NC(=O)[C@@H](C)n2cncn2)C1 1757166994 ODCWHSXMYSRIEH-UPJWGTAASA-N 321.381 -0.117 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1O 1757171294 NKYDNNXOIJSTJY-KGLIPLIRSA-N 314.345 -0.153 30 20 DBED C=CC(C)(C)C(=O)N1CCC(N(CCO)C(=O)C(N)=O)CC1 1757555113 SAVFTDPVPXJDRC-UHFFFAOYSA-N 311.382 -0.504 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](O)C(C)(C)C)CCO2 1783046707 TWQYAOSVKAQZNS-BBRMVZONSA-N 308.378 -0.144 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)Cc1cc(C)on1)CCO2 1783054478 WWGWFVSKDOCGKS-INIZCTEOSA-N 317.345 -0.011 30 20 DBED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)N(C)CC)[C@H]2C1 1790557137 YLZIGNOVPMRWOE-QPSCCSFWSA-N 321.421 -0.061 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCC=CO1)C2 1800453409 IXTNPJSAMHMFCY-XFMPKHEZSA-N 304.346 -0.098 30 20 DBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCO3)C2)C1 1839810653 KKAJRBBBOVWBPV-XJKSGUPXSA-N 322.361 -0.745 30 20 DBED C#CCNC(=O)COC(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O 18353935 IMUWCHOBDBNFAI-VXGBXAGGSA-N 320.345 -0.156 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)c1csc(S(N)(=O)=O)c1 28393361 AWWNRJFRKPKADY-ZETCQYMHSA-N 316.360 -0.310 30 20 DBED C#CCC(C)(C)C(=O)N[C@H](C)C(=O)N1CCS(=O)(=O)CC1 186173190 DCMXROJXIHHLQR-LLVKDONJSA-N 314.407 -0.202 30 20 DBED CN(Cc1ccc(C#N)cc1)C(=O)CN1C(=O)C(=O)N(C)C1=O 264902191 NQVRWTYYLPAQBC-UHFFFAOYSA-N 314.301 -0.063 30 20 DBED C/N=C(/NCCNc1ccccn1)NCCN1CCOCC1 265005756 YGRXPPWVQAXWLR-UHFFFAOYSA-N 306.414 -0.009 30 20 DBED COC(=O)[C@@H]1C[C@H](O)CN1C[C@H](O)COc1ccc(C#N)cc1 276675334 VKYJDMGVTWYPLB-YDHLFZDLSA-N 320.345 -0.094 30 20 DBED C=C[C@H](CO)NC(=O)Nc1cnn(CCN2CCOCC2)c1 290524018 WYRICEAPWRKKOE-GFCCVEGCSA-N 309.370 -0.116 30 20 DBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCNC(=O)[C@H]1C 292231646 AYFJSLNOBTUKKI-WOPDTQHZSA-N 309.366 -0.569 30 20 DBED C[C@H](C/N=C(/O)NC[C@]1(O)CCOC1)CN1CCN(C)CC1 328844573 PXOPVOXEIHKLMD-UKRRQHHQSA-N 314.430 -0.475 30 20 DBED C[C@H]1CN(/C(O)=N/CC2(C)COC2)CCN1S(C)(=O)=O 329278337 LYJJRHOEHHJPGC-JTQLQIEISA-N 305.400 -0.097 30 20 DBED CC(=O)N1CCN(/C(O)=N/[C@@H]2CS(=O)(=O)C[C@@H]2C)[C@@H](C)C1 329558236 CDHHESXMLFYVPH-JBLDHEPKSA-N 317.411 -0.114 30 20 DBED CC(C)N1C[C@H](/N=C(/O)CN2CCCS2(=O)=O)CC1=O 329680784 ROGBTVCEGLMQKC-SNVBAGLBSA-N 303.384 -0.012 30 20 DBED COC[C@H](C)/N=C(/O)NC(=O)CN1CCC[C@H](NC(C)=O)C1 330442949 BFHYEJQMAGJMAM-JQWIXIFHSA-N 314.386 -0.348 30 20 DBED COC(=O)[C@H]1CN(S(=O)(=O)CC2(C#N)CC2)C[C@@H](C)O1 337983750 KDNPKOIHHKBJCP-NXEZZACHSA-N 302.352 -0.118 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H](C)CN(C)C)C1=O 341258691 AVBGTUBXGGVERL-JTQLQIEISA-N 310.354 -0.723 30 20 DBED C=CCNC(=O)CNC(=O)Cn1nnc2ccccc2c1=O 347905193 ULMXDTJHWANGAB-UHFFFAOYSA-N 301.306 -0.790 30 20 DBED C=CCOC[C@H](NC(=O)[C@H]1CCCCS1(=O)=O)C(=O)OC 360723737 WDFXIGHDWRMPJK-WDEREUQCSA-N 319.379 -0.186 30 20 DBED C#CCSCCNC(=O)N1CC[C@@H](S(=O)(=O)NC)C1 366662823 MELYRYJXDNMULW-SNVBAGLBSA-N 305.425 -0.314 30 20 DBED CO[C@@H]1CN(C(=O)CNC(=O)c2ccc(C#N)cc2)C[C@H]1O 456376729 BMSXJNFNQULKSR-CHWSQXEVSA-N 303.318 -0.494 30 20 DBED C=CCNC(=O)CNS(=O)(=O)CCOCC(F)(F)F 519788622 LPLCWVFZDPHEHB-UHFFFAOYSA-N 304.290 -0.213 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@]2(C)CCOC2)C1=O 522174090 FWWXNLRZKAXCRN-CQSZACIVSA-N 309.322 -0.494 30 20 DBED C[C@@H](C#N)CNC(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 525710813 AQOCVYSUKUMJKE-YQPPGCHHSA-N 305.334 -0.185 30 20 DBED N#Cc1nccc(N2CCN(S(=O)(=O)c3cc[nH]n3)CC2)n1 565230605 SYZSICZFXKVHFU-UHFFFAOYSA-N 319.350 -0.418 30 20 DBED N#Cc1cccc(CCNC(=O)NCCN2CCNC(=O)C2)c1 582871126 YLTKYVMWGDYOGS-UHFFFAOYSA-N 315.377 -0.168 30 20 DBED Cn1cc(C#N)c(NC(=O)NC[C@@H]2CCCS(=O)(=O)C2)n1 588259970 YDAAXAADYVQNFT-VIFPVBQESA-N 311.367 0.238 30 20 DBED CN(C)S(=O)(=O)N(C)CC(=O)N1CCC[C@@H](CC#N)C1 597902515 DKZMTFXBULRGAI-NSHDSACASA-N 302.400 -0.123 30 20 DBED N#CCNC(=O)CN(CCN1CCOCC1)[C@@H]1CCSC1 602879560 BMIQZGFFYPEFEE-CYBMUJFWSA-N 312.439 -0.234 30 20 DBED Cc1cc(NC(=O)NCCS(N)(=O)=O)nn1CCC#N 611481710 LIDUVQSJRYWJMQ-UHFFFAOYSA-N 300.344 -0.485 30 20 DBED C=C[C@](C)(O)C(=O)NCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 612182394 WCTDCGARGDDLDM-VZAVHYRXSA-N 304.346 -0.153 30 20 DBED C=CCN(CC(=O)O)C(=O)Cn1nnc2ccccc2c1=O 762049348 BMAHSQDKDRDWMD-UHFFFAOYSA-N 302.290 -0.109 30 20 DBED C[C@@H](O)c1cn(CC(=O)NCCNc2ncccc2C#N)nn1 763028160 GFYJDKWEFQTTSG-SNVBAGLBSA-N 315.337 -0.174 30 20 DBED C#C[C@@H](NC(=O)C(=O)Nc1cnn(CCOC)c1)[C@H]1CCCO1 773797884 OUPZCQCOVBNKNW-CHWSQXEVSA-N 320.349 -0.235 30 20 DBED C#C[C@H](NCC(=O)N1CCC[C@@H](NC(C)=O)C1)[C@H]1CCCO1 775785967 UCMCGMHKBHSDNP-QLFBSQMISA-N 307.394 -0.116 30 20 DBED C=CCNS(=O)(=O)c1cccc(C(=O)Nn2cnnc2O)c1 777768584 SHSFAOVNKPGOHL-UHFFFAOYSA-N 323.334 -0.168 30 20 DBED C#Cc1cccc(NC(=S)NN=C2C(=O)NC(=O)NC2=O)c1 814221019 ONHNXZAGMXGZOD-UHFFFAOYSA-N 315.314 -0.324 30 20 DBED C=CCNC(=O)[C@@H](C#N)C(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O 815909067 PZKABCUYULVELV-TUAOUCFPSA-N 315.329 -0.051 30 20 DBED C#CC[C@@H](CO)NC(=O)c1ccc2c(c1)[nH]c(=O)c(=O)n2CC 816669104 HEIJHLANPXBNGA-NSHDSACASA-N 315.329 -0.176 30 20 DBED C#CC[C@H](CO)NC(=O)[C@H](C(C)C)N1CCCS1(=O)=O 816671917 LCPNNONOODZRKQ-NEPJUHHUSA-N 302.396 -0.453 30 20 DBED C#CCO[C@H](C)C(=O)NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 826812572 NPXWXTSLSGZHBM-HTOAHKCRSA-N 316.357 -0.052 30 20 DBED C#C[C@H](NC(=O)C(=O)NC[C@@H]1CC(=O)N(CC)C1)[C@H]1CCCO1 846737882 MTBPBJIQMVUEHD-RWMBFGLXSA-N 321.377 -0.732 30 20 DBED C#CCCN(CCOC)C(=O)c1cc(S(N)(=O)=O)cn1C 856386299 WJWLATVCFLLHQK-UHFFFAOYSA-N 313.379 -0.216 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)CCc2cn[nH]c2)CC1 863867105 REHMLWMWIZFNGB-UHFFFAOYSA-N 303.366 -0.764 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)C1=NN(C)C(=O)CC1 895722031 BUIAMACYQLCSPD-MRVPVSSYSA-N 310.310 -0.462 30 20 DBED C=CCN(C(=O)c1cccn2nnnc12)[C@H]1CCS(=O)(=O)C1 897223778 XNXYDAQLELUNLW-JTQLQIEISA-N 321.362 -0.060 30 20 DBED CN(CC(=O)[C@H](C#N)C(=O)Nc1ccccn1)S(C)(=O)=O 917509041 JDCLZZVFUYZLLN-VIFPVBQESA-N 310.335 -0.380 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)Cc3nc[nH]n3)C2)[nH]1 936165508 LWJPCCWEIFUHAQ-SNVBAGLBSA-N 313.321 -0.422 30 20 DBED CN(C(=O)[C@@]1(C)CCNC1=O)[C@H]1CCN(C(=O)C#CC2CC2)C1 937351936 CVOGBURDEKLOTG-GUYCJALGSA-N 317.389 -0.015 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](N(C)C(=O)c2c[nH]c(=O)cn2)C1 939397607 PVMAGVMUYDDLRZ-VHSXEESVSA-N 303.322 -0.398 30 20 DBED C=C1CC(C)(C(=O)N2CC[C@@H](NC(=O)[C@@H]3CNC(=O)N3)C2)C1 942300634 MMBMNVSHNBSOMS-MNOVXSKESA-N 306.366 -0.259 30 20 DBED C[C@]1(C(=O)N[C@@H]2CCN(C(=O)C#CC3CC3)C2)CCNC1=O 942423439 RJVUIVIBOOGVNG-WBMJQRKESA-N 303.362 -0.357 30 20 DBED O=C(C#CC1CC1)N1CCO[C@@H](CNC(=O)[C@@]23COC[C@@H]2C3)C1 944624502 LWUFHUOMVQHLCE-ZQIUZPCESA-N 318.373 -0.220 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2CN(C(=O)COC)CCO2)cn1 944697814 YWTVDMYUCJEYEX-AWEZNQCLSA-N 317.345 -0.334 30 20 DBED C=C1CCC(C(=O)NC[C@@H]2CN(C(=O)CC(N)=O)CCO2)CC1 944759980 XDWLRGMPOJWFJF-CYBMUJFWSA-N 323.393 -0.048 30 20 DBED N#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cnc3nccnc3c2)C1 958140046 PZWQCTUFWCIJGC-WCQYABFASA-N 312.333 -0.429 30 20 DBED N#CCN1C[C@H](O)[C@H](CNC(=O)c2cnc3[nH]c(O)nc3c2)C1 958195910 MIFZOQGPVPYOKR-KOLCDFICSA-N 316.321 -0.790 30 20 DBED N#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cc3ncccn3n2)C1 958507799 WZNDNJJDWMTXCW-CMPLNLGQSA-N 300.322 -0.725 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@H](NC(=O)Cc2cnn(C)c2)C1 961862021 MAVJINFMIJFUMH-OLZOCXBDSA-N 320.393 -0.137 30 20 DBED Cc1cn(C)nc1C(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 962878781 IWZFDRKEOLDRDB-OLZOCXBDSA-N 316.361 -0.557 30 20 DBED C[C@@H](NC(=O)[C@H]1COCCN1CC(F)F)C1CN(CC#N)C1 970211784 BHJFFXKSGNVWPI-ZYHUDNBSSA-N 316.352 -0.088 30 20 DBED C=C(C)CCN1CC([C@H](C)NC(=O)c2cn(CC(N)=O)nn2)C1 970922784 AZHULPWYLXXRFC-NSHDSACASA-N 320.397 -0.220 30 20 DBED C#Cc1cncc(C(=O)N2CC[C@@H]3CN(C(=O)C(N)=O)[C@@H]3C2)c1 974960051 GXEPSQOVMWGZCM-DGCLKSJQSA-N 312.329 -0.779 30 20 DBED CCn1nc(C)c(C(=O)N[C@H]2[C@@H]3CN(C(=O)[C@@H](C)C#N)C[C@@H]32)n1 976770005 UQFHLTMKPSGIDG-MVVXRAEJSA-N 316.365 -0.047 30 20 DBED C#CCN1C[C@H]2C(CNC(=O)c3ccc(C(=O)NC)nc3)[C@@H]2C1 978984581 IIYOJHOIXLNFCC-KBPBESRZSA-N 312.373 -0.018 30 20 DBED Cn1c(O)ncc(C(=O)N[C@@H]2CCC[C@@H](NCC#N)C2)c1=O 981267819 IFIDJEYCEXPSEB-NXEZZACHSA-N 305.338 -0.360 30 20 DBED N#CCN1CCCN(C(=O)[C@]23C[C@H]4C[C@H](C(=O)N2)[C@H]3C4)CC1 981495121 QEPOUXWKPLLJNB-BCUIYNNISA-N 302.378 -0.041 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](NC(=O)C2CC(=O)NC(=O)C2)[C@H]1C 988950758 FEAYIFHMDGKPQI-KKZNHRDASA-N 320.349 -0.696 30 20 DBED C#CCN[C@@H]1CCC[C@@H]2CN(C(=O)Cn3cnnc3O)C[C@@H]21 992697074 PWGAYPVGYWUDSB-FRRDWIJNSA-N 303.366 -0.166 30 20 DBED N#Cc1cc(C(=O)N2CC(NC(=O)C[C@@H]3CCNC3=O)C2)c[nH]1 993448341 LHPCXAAFPPGULC-VIFPVBQESA-N 315.333 -0.647 30 20 DBED C=C(Cl)CN[C@H]1CCCN(C(=O)CN2C(=O)CNC2=O)C1 1000863402 ALRUIYYCYYUXTE-JTQLQIEISA-N 314.773 -0.129 30 20 DBED CC#CCN1CCC(CNC(=O)[C@H]2CCS(=O)(=O)N2)CC1 1002133236 PYMOVRGLFMPZKO-CYBMUJFWSA-N 313.423 -0.470 30 20 DBED C[C@H](C#N)C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cn1nccn1 1003009917 WWGPHJZBMGYHMY-KKOKHZNYSA-N 302.338 -0.314 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCN(C(=O)c2cc[nH]n2)CC1 1010423138 ZSSPSXNGRQUHQU-AWEZNQCLSA-N 315.377 -0.208 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C(=O)c2cccc(C(N)=O)n2)CC1 1011288668 IMCBOTPECJOHQZ-SNVBAGLBSA-N 315.333 -0.375 30 20 DBED C#Cc1ccc(C(=O)NC2[C@H]3CN(C(=O)CC(N)=O)C[C@H]23)cc1 1013531577 BFQONGNFTBBFTP-STQMWFEESA-N 311.341 -0.270 30 20 DBED N#CCN[C@H]1C[C@H](NC(=O)[C@H]2COCCN2CC(F)F)C1 1020434515 CMVMVAXXRCPEOX-GMTAPVOTSA-N 302.325 -0.287 30 20 DBED Cc1nccn1CC(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1O 1023800035 QOOFCPNJLPXYBZ-MVWJERBFSA-N 305.338 -0.961 30 20 DBED C#CCCN1[C@H]2CC[C@H]1CN(C(=O)c1nccnc1C(N)=O)C2 1029577665 CUCAJYFFBOCEDX-RYUDHWBXSA-N 313.361 -0.112 30 20 DBED CC#CCN1CC(CNC(=O)C2CC3(C2)NC(=O)NC3=O)C1 1032048087 UIPCEHRNLOFFCG-UHFFFAOYSA-N 304.350 -0.954 30 20 DBED CN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CCN([C@H]2CCNC2=O)C1 1033017322 HFVHXPHBVCIWSP-AAEUAGOBSA-N 301.350 -0.079 30 20 DBED CC#CCN1CCO[C@@H](CNC(=O)c2cnn(CCOC)c2)C1 1035597124 UZCMTMBWHCVAKN-HNNXBMFYSA-N 320.393 -0.017 30 20 DBED CC#CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)c1ccc(-n2cnnn2)cn1 1037523664 PUPQAABREROWCX-UGFHNGPFSA-N 323.360 -0.117 30 20 DBED N#CCN1CC[C@H]1CNC(=O)c1cn(C[C@H]2CCOC2)nn1 1038870811 XWNOMDAGJVCGKI-NEPJUHHUSA-N 304.354 -0.358 30 20 DBED C#CCN1[C@H]2CCC[C@H]1CN(C(=O)Cn1ncn(C)c1=O)C2 1039707102 JXRRCPSNHTWVSI-STQMWFEESA-N 303.366 -0.720 30 20 DBED C=C(C)CCC(=O)NC[C@]1(O)CCN(C(=O)Cn2cncn2)C1 1040040804 JMLXSPKDVZJZJZ-OAHLLOKOSA-N 321.381 -0.286 30 20 DBED C#CCCCC(=O)N1CC[C@](O)(CNC(=O)[C@@]23COC[C@@H]2C3)C1 1040063212 BXUDUNUTUFYONO-JQFCIGGWSA-N 320.389 -0.094 30 20 DBED C=C1CC(C)(C(=O)N2CC[C@@](O)(CNC(=O)c3cnn[nH]3)C2)C1 1040267060 AJFYMKRIBCLDJR-OAHLLOKOSA-N 319.365 -0.146 30 20 DBED C=CCOCC(=O)N1CC[C@@](O)(CNC(=O)c2ccncn2)C1 1040655835 IWPJQJVRSWUIIU-OAHLLOKOSA-N 320.349 -0.628 30 20 DBED C=CCC1(C(=O)NC[C@@]2(O)CCN(C(=O)C(N)=O)C2)CCC1 1040815418 RQSWFIOOZIXWOV-HNNXBMFYSA-N 309.366 -0.702 30 20 DBED C=CCOCCCC(=O)NCC1(O)CN(C(=O)c2cnon2)C1 1042313833 YTBBENLUNCRCQX-UHFFFAOYSA-N 324.337 -0.645 30 20 DBED CC#CCN1CC[C@@H]2CCN(C(=O)Cn3c(O)nnc3O)C[C@@H]21 1042331736 QBWCNDGDQSOTAV-NEPJUHHUSA-N 319.365 -0.365 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)c2cn(C)cn2)C1 1042802747 NOXBPPXAJXHUTA-UHFFFAOYSA-N 304.350 -0.473 30 20 DBED CN1CC[C@@H](CC(=O)N2CC(O)(CNC(=O)C#CC3CC3)C2)C1 1042959449 ZSZZSFANNCHKTA-AWEZNQCLSA-N 319.405 -0.569 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)c2ocnc2C)C1 1043039719 INENBNCUKYBUQP-LLVKDONJSA-N 321.333 -0.676 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2nc(C)c[nH]2)C1 1043042741 VUNWUAXWFHXOAN-NSHDSACASA-N 320.349 -0.940 30 20 DBED C=C(C)CCC(=O)NCC1(O)CN(C(=O)c2cnn(CC)n2)C1 1043311064 OBSKWBIHYXZSCR-UHFFFAOYSA-N 321.381 -0.043 30 20 DBED C=C(C)CCC(=O)NCC1(O)CN(C(=O)[C@@H]2COCCO2)C1 1043312138 PDFGJKZRMFGMIA-LBPRGKRZSA-N 312.366 -0.552 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)c3cncnc3)C2)nc1 1043917586 DHUSDQXEJNDDIX-OLZOCXBDSA-N 310.317 -0.277 30 20 DBED C[C@@H]1C[C@H](NCC#N)CCN1C(=O)c1cnc(O)n(C)c1=O 1044707458 MTCXZWJVFWADIC-NXEZZACHSA-N 305.338 -0.408 30 20 DBED C[C@@H]1C[C@H](C(=O)NCC2(O)CN(C(=O)C#CC3CC3)C2)CCO1 1045311986 WZPYPZGVTBXUNF-TZMCWYRMSA-N 320.389 -0.096 30 20 DBED CCNC(=O)CCCC(=O)N1CC(O)(CNC(=O)[C@H](C)C#N)C1 1045545812 CCSPLXIKIWBVFG-LLVKDONJSA-N 324.381 -0.858 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)C[C@@H]2CCN(C)C2)C1 1045546260 JZBFBMKXCOZMDV-RYUDHWBXSA-N 308.382 -0.823 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCOC)C1 1047997153 BUJBQRYWVXIIJD-AGIUHOORSA-N 312.366 -0.909 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)c2cc(F)c[nH]2)C[C@@H]1O 1049402032 NREUIIQABGFCPU-UWJYBYFXSA-N 308.313 -0.043 30 20 DBED C#CCCN1CCOC[C@H]1CNC(=O)[C@@H]1CCN(C)C(=O)C1 1050989869 XRMZQDUYMATBIB-ZIAGYGMSSA-N 307.394 -0.305 30 20 DBED C=C(Cl)CN1CCOC[C@H]1CNC(=O)c1c[nH]c(=O)cn1 1051087316 OGEZPBIJGMBQTP-SNVBAGLBSA-N 312.757 -0.047 30 20 DBED N#Cc1cnccc1N1CC[C@H](NC(=O)c2nc[nH]n2)[C@@H](O)C1 1051710791 DDQFBRFXWPXHAG-JQWIXIFHSA-N 313.321 -0.559 30 20 DBED C#CCN1CCN([C@H]2CCN(C(=O)c3nccnc3N)C2)CC1 1051999204 GGCCODIZJUKWFB-ZDUSSCGKSA-N 314.393 -0.476 30 20 DBED C#CCCCC(=O)N1C[C@H](C)[C@H](CNC(=O)c2nnn(C)n2)C1 1052482998 JSVCTRHLCVHFKA-NWDGAFQWSA-N 318.381 -0.162 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)CO[C@H]1CCOC1)CCO2 1053254793 SLHOTMMRWUQGIA-AWEZNQCLSA-N 308.378 -0.272 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)c3cncnc3O)CO2)C1 1053839125 VYVCNYMCBFIUTK-NSHDSACASA-N 302.334 -0.221 30 20 DBED C#CCN1CCC(C(=O)N[C@H]2COC3(C2)CN(CC#C)C3)CC1 1054016523 DWEGGIMTCVRACR-MRXNPFEDSA-N 315.417 -0.076 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)[C@H](C)N3CCOCC3)CO2)C1 1054025692 FOZFEGRSCBJIPF-LSDHHAIUSA-N 321.421 -0.310 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@](CO)(NC(=O)c2cn[nH]c2)C1 1055796798 RLHABJBAWCLYQR-QMTHXVAHSA-N 305.338 -0.347 30 20 DBED C[C@@H](C#N)C(=O)N[C@@]1(CO)CCCN(C(=O)c2ccnn2C)C1 1056093330 JXNPNDHSZXXTFX-NHYWBVRUSA-N 319.365 -0.337 30 20 DBED Cc1cc(C#N)nc(N2C[C@H]3C(NC(=O)c4ncn(C)n4)[C@@H]3C2)n1 1056202808 PYPNGZNXVDLZLF-GHMZBOCLSA-N 324.348 -0.350 30 20 DBED N#Cc1nc(=NC2CC3(C2)CC(NC(=O)C(N)=O)C3)cc[nH]1 1056536278 QWSGLBGJVMANTI-UHFFFAOYSA-N 300.322 -0.905 30 20 DBED C=CCCO[C@@H](C)C(=O)NCCN(CCO)C(=O)CCOC 1056730811 JLEQLMDKTRZDNQ-ZDUSSCGKSA-N 316.398 -0.059 30 20 DBED C=C(C)CCC(=O)NCCN(CCO)C(=O)CNC(=O)CC 1057215655 PKUCJKUFWGGIQP-UHFFFAOYSA-N 313.398 -0.194 30 20 DBED C[C@H]1C[C@H](C(=O)NCCN(CCO)C(=O)C#CC2CC2)CO1 1057535427 AEHLUOMBPPMDLN-JSGCOSHPSA-N 308.378 -0.238 30 20 DBED C#CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)c1cc(C)no1 1057583235 KSKHYAPWWCQQRT-LBPRGKRZSA-N 323.349 -0.428 30 20 DBED C=C(Cl)C(C)(C)C(=O)N(CCO)CCNC(=O)CC(N)=O 1057692759 SJPWVSJKLVUXQG-UHFFFAOYSA-N 319.789 -0.422 30 20 DBED C=CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)c1ccn(C)n1 1057923159 NOGWPRAWJJLYCN-LBPRGKRZSA-N 324.381 -0.438 30 20 DBED Cn1ncc(C(=O)N[C@H]2CCCN(c3ccc(C#N)nn3)C2)n1 1058175504 NZHSBEMLVYHJKX-NSHDSACASA-N 312.337 -0.124 30 20 DBED COc1nc(C(=O)N(CCO)CCNC(=O)[C@H](C)C#N)co1 1058179684 JTLHMQYUBFWRQD-SECBINFHSA-N 310.310 -0.606 30 20 DBED C=C[C@@H](CC)CC(=O)N(CCO)CCNC(=O)c1cnnn1C 1058466381 MMVVOKPSLQMZOV-LBPRGKRZSA-N 323.397 -0.032 30 20 DBED Cc1ccnn1CC(=O)NCCN(CCO)C(=O)[C@@H](C)C#N 1058658767 LALOMWMXHDGXPO-NSHDSACASA-N 307.354 -0.712 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)[C@H]1CCCCN1C 1058663003 FDKVRAYFBZDEJV-CHWSQXEVSA-N 310.398 -0.433 30 20 DBED CN1CCO[C@H](C(=O)N2CC[C@H](N=c3cc[nH]c(C#N)n3)C2)C1 1058857120 KQKKTUOOBREKAT-RYUDHWBXSA-N 316.365 -0.886 30 20 DBED O=C(C#CC1CC1)NCC[C@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 1060063095 GZZLUJINWKKAMW-KBPBESRZSA-N 317.389 -0.109 30 20 DBED CC(C)C#CC(=O)NC[C@H]1COCCN1C(=O)Cc1cc[nH]n1 1061566285 JNKNUZNQLFEXNY-AWEZNQCLSA-N 318.377 -0.045 30 20 DBED C=CC(C)(C)C(=O)NC[C@H]1COCCN1C(=O)c1cnn(C)n1 1061753717 QXXCKEYPLXNOTE-NSHDSACASA-N 321.381 -0.016 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)C1(CN(C)C)CC1 1061825606 JYKOGZQKMBXPCX-STQMWFEESA-N 322.409 -0.169 30 20 DBED CCCN(C)CC(=O)N1CCOC[C@@H]1CNC(=O)[C@H](C)C#N 1061847567 LZVCFUJFVKXOHK-OLZOCXBDSA-N 310.398 -0.169 30 20 DBED Cc1n[nH]cc1C(=O)N1CCOC[C@H]1CNC(=O)[C@H](C)C#N 1061850939 CLQSVFSHEDKSMB-MWLCHTKSSA-N 305.338 -0.165 30 20 DBED N#Cc1ccc(N2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2COCCO2)nn1 1062449069 BVLHVNVCUMTDNE-AVGNSLFASA-N 315.333 -0.447 30 20 DBED C[C@@H]1CCCN(C(=O)C(N)=O)[C@H]1CNc1cncc(C#N)n1 1063957819 YENWKIUKHKLNET-KOLCDFICSA-N 302.338 -0.127 30 20 DBED C=CCCOCC(=O)NC[C@@H]1CN(C(=O)c2cc[nH]n2)CCO1 1064892012 ZFYHTGYOBAATLQ-GFCCVEGCSA-N 322.365 -0.040 30 20 DBED Cc1[nH]nc(C(=O)N2CCO[C@H](CNC(=O)[C@H](C)C#N)C2)c1O 1065048947 UOJZFNYFSANHQA-PSASIEDQSA-N 321.337 -0.459 30 20 DBED CC(C)C#CC(=O)N1CCO[C@H](CNC(=O)Cc2cc[nH]n2)C1 1065130836 QNQSSZYRHDFNIF-CQSZACIVSA-N 318.377 -0.045 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCCN(C(=O)COCC)CC1 1066069122 NIWRSYCHWWDIIO-CYBMUJFWSA-N 323.393 -0.340 30 20 DBED CN(CCCN(C)C(=O)c1c[nH]c(C#N)c1)C(=O)CNC(N)=O 1066769597 WZKBYUABOWYVBQ-UHFFFAOYSA-N 320.353 -0.525 30 20 DBED C[C@@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1Nc1ccc(C#N)nc1 1067148082 CPXZJNWXKNTYEM-MFKMUULPSA-N 312.337 -0.101 30 20 DBED N#Cc1nccnc1NC[C@H]1C[C@H](NC(=O)Cn2cncn2)C1 1068490371 PJTSPYGAFOGBJH-XYPYZODXSA-N 312.337 -0.053 30 20 DBED Cc1cc(C#N)nc(N(C)C2CCN(C(=O)C(N)=O)CC2)n1 1068719417 HZVCDAKCCRCHMB-UHFFFAOYSA-N 302.338 -0.431 30 20 DBED N#CCN1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CCNC2=O)C1 1070420244 UPWZQWINULSFOB-CMPLNLGQSA-N 316.365 -0.525 30 20 DBED C=CCCOCC(=O)N1C[C@@H](NC(=O)CC(=O)NC)[C@H](C)C1 1072334100 WSVRIFNKVCDCST-VXGBXAGGSA-N 311.382 -0.322 30 20 DBED COCCn1cc(C(=O)N2CC3(CCN(CC#N)C3)C2)nn1 1072711761 AASVBUMNEZWPNY-UHFFFAOYSA-N 304.354 -0.404 30 20 DBED C#CCOCCC(=O)N[C@H]1CCN(C(=O)CC(N)=O)CC1(C)C 1073393209 FUXNVSDAXSGGKH-LBPRGKRZSA-N 323.393 -0.355 30 20 DBED C=C[C@@H](CC)CC(=O)N1CCN(C2CN(C(=O)C(N)=O)C2)CC1 1073592241 DHHDEGCJZYBUAM-LBPRGKRZSA-N 322.409 -0.571 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)Cc3nonc3C)C[C@@H]21 1074370512 BJQIATSWASOCPB-UONOGXRCSA-N 304.350 -0.145 30 20 DBED O=C(NCC1(O)CCN(C(=O)C#CC2CC2)CC1)[C@H]1CCOC1 1074581092 JDKSUPKHYMTZAT-AWEZNQCLSA-N 320.389 -0.094 30 20 DBED C=CCN1C[C@@H]2CCN(C(=O)c3cn(C)c(=O)n(C)c3=O)[C@@H]2C1 1076317715 GGVLXBRLCXBNKL-WCQYABFASA-N 318.377 -0.584 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)c2cnn(CCN(C)C)c2)C1 1077818413 TVOPBEDWFOWMMK-HUUCEWRRSA-N 319.409 -0.757 30 20 DBED C=CCOCC(=O)N(CC)C1CN(C(=O)C[C@H]2CCC(=O)N2)C1 1079490334 KBJPCBPUWBXUJX-GFCCVEGCSA-N 323.393 -0.083 30 20 DBED C#CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)[C@H](C)NC(N)=O)C1 1079774530 FOFNZAYRTIWEJM-WDEREUQCSA-N 324.381 -0.859 30 20 DBED CC#CCCCC(=O)N(CC)C1CN(C(=O)CNC(N)=O)C1 1080294415 FHFOGGNLWZCSFI-UHFFFAOYSA-N 308.382 -0.092 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1cn([C@H]2CCOC2)nn1 1080740346 IAGPMEDLRVRCTD-GRYCIOLGSA-N 304.354 -0.187 30 20 DBED COC[C@@H](C)C(=O)NC1(CO)CCN(C(=O)[C@@H](C)C#N)CC1 1080772520 YNVZUMJENBUFTC-NWDGAFQWSA-N 311.382 -0.102 30 20 DBED CSCC(=O)N1C[C@@H](O)[C@H](CNC(=O)CSCC#N)C1 1081286211 ITXRYHBWVKCHOV-NXEZZACHSA-N 317.436 -0.458 30 20 DBED N#CCSCC(=O)NC[C@H]1CN(C(=O)c2cn[nH]c2)C[C@@H]1O 1081286889 QNCWFDHDDBNNAN-QWRGUYRKSA-N 323.378 -0.784 30 20 DBED C=CCOCC(=O)N1C[C@H](CNC(=O)C2=COCCC2)[C@@H](O)C1 1081333025 NVKGGGJLKATAFK-KBPBESRZSA-N 324.377 -0.181 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)CNC(=O)C2CC2)C[C@@H]1O 1081333338 RRFCSKNYMJZZPO-OLZOCXBDSA-N 323.393 -0.586 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)c2cn(C)cn2)C[C@H]1O 1081336533 ZSYOTJDLEBMFPN-WCQYABFASA-N 306.366 -0.065 30 20 DBED Cn1ccc(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C#CC3CC3)C2)n1 1081473734 KESMAKIEFDQDMU-GXTWGEPZSA-N 316.361 -0.617 30 20 DBED C#CCOCCC(=O)NC[C@H]1CN(C(=O)C2(C)CC2)C[C@H]1O 1081489607 WYXPNEVWTAQEBE-QWHCGFSZSA-N 308.378 -0.238 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@@H]2CCc3nncn3C2)[C@H](OC)C1 1082382887 ZCOLSCXJVGTMTE-JHJVBQTASA-N 303.366 -0.711 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)C[C@H]1CCCCC(=O)N1 1083259014 HCULNNWZLMXTQL-QLFBSQMISA-N 319.405 -0.020 30 20 DBED N#Cc1ccc(CN2C[C@H](O)[C@H](NC(=O)c3cnon3)C2)cc1 1083877542 DXZKUGOWFRYUHF-KGLIPLIRSA-N 313.317 -0.084 30 20 DBED C[C@@H](C[C@H](C)Nc1cncc(C#N)n1)NC(=O)Cn1cnnn1 1089216495 XHKZTLWLHGZMNB-UWVGGRQHSA-N 315.341 -0.270 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(c2ncncc2Cl)C[C@H]1O 1090488512 KTJARFSJZXQJOO-MVWJERBFSA-N 324.768 -0.166 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2nc3ncccn3n2)[C@H](O)C1 1090658315 WAPHVIGQLYDYSO-NWDGAFQWSA-N 314.349 -0.687 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2cn(CCC)nn2)[C@H](O)C1 1090682806 MXHYDVJXTBEQPT-TZMCWYRMSA-N 305.382 -0.124 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2cnc(OC)nc2)[C@H](O)C1 1090697179 DEBBWKJPLKHEPW-QWHCGFSZSA-N 304.350 -0.327 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CCN(c2ccncc2C#N)C[C@H]1O 1092148170 NWNJNRJGCNVXQS-DGCLKSJQSA-N 317.349 -0.855 30 20 DBED C#CCN1CC(OC2CCN(C(=O)c3cn(C)nn3)CC2)C1 1093533354 JNSZJOLKQRIFAU-UHFFFAOYSA-N 303.366 -0.246 30 20 DBED C#CCN1CC(n2cc(CNC(=O)C3CC(OC)C3)nn2)C1 1094298740 ZIUCWQYAKKWQDI-UHFFFAOYSA-N 303.366 -0.191 30 20 DBED CCN1CCO[C@H](C(=O)NCCCNc2nccnc2C#N)C1 1094446642 HWJZDOFSUNODMY-ZDUSSCGKSA-N 318.381 -0.013 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)[C@H]3CCN(C)C3=O)CC2=O)C1 1094771308 JACUDXDCYAPVKT-DGCLKSJQSA-N 320.393 -0.948 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)CN3CCC[C@@H]3C)CC2=O)C1 1094783658 UQPAWCWHQSYTPB-UONOGXRCSA-N 318.421 -0.495 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)c3ocnc3CC)CC2=O)C1 1094783933 YUGNJVOPVCHYCH-NSHDSACASA-N 316.361 -0.115 30 20 DBED C[C@H](NC(N)=O)C(=O)NCCCN(C)c1ccncc1C#N 1095534210 DZRWQVHYDPYFDG-JTQLQIEISA-N 304.354 -0.047 30 20 DBED N#Cc1nccnc1N[C@H](CNC(=O)[C@H]1CNC(=O)N1)C1CC1 1096800914 QJOJRUQQJDAVIY-GHMZBOCLSA-N 315.337 -0.664 30 20 DBED Cc1cc(C#N)nc(N2CCCC[C@@H]2CNC(=O)C(N)=O)n1 1097459171 RBHXARWVABYJNI-LLVKDONJSA-N 302.338 -0.383 30 20 DBED C[C@@H](CNC(=O)c1ccc(C(N)=O)[nH]1)N=c1cc[nH]c(C#N)n1 1098262418 GAKTUKMQHGEYOI-QMMMGPOBSA-N 313.321 -0.572 30 20 DBED C#CCNCc1cn([C@@H]2CCN(C(=O)CN(C)C(C)=O)C2)nn1 1098618619 GLEGLLQCMKNTMV-CQSZACIVSA-N 318.381 -0.747 30 20 DBED C[C@@H](CCNC(=O)[C@@H]1COCCN1C)Nc1nccnc1C#N 1099021069 MIVGDWBQEJILJQ-AAEUAGOBSA-N 318.381 -0.014 30 20 DBED C#CCCCC(=O)N[C@@H]1CCN(Cc2cnn(C)n2)C[C@@H]1O 1099805069 WOJQGXAOKJIWCM-KGLIPLIRSA-N 305.382 -0.330 30 20 DBED Cn1cc(CN2CC[C@@H](NC(=O)C#CC3CC3)[C@H](O)C2)nn1 1099826023 FHFPTITUMMLTSE-ZIAGYGMSSA-N 303.366 -0.720 30 20 DBED COCC#CCN1CC[C@H](NC(=O)CN(C)C2CCC2)[C@@H](O)C1 1099879557 LYLYYYMAJSQVQB-HOTGVXAUSA-N 323.437 -0.328 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2cncn2C)[C@@H](O)C1 1099907677 ZPLLDDQLQBFVIS-JSGCOSHPSA-N 306.366 -0.765 30 20 DBED C#CCN1CC[C@H](NC(=O)CCc2ccnc(C)n2)[C@H](O)C1 1099930370 FEXADLOWDWIFIE-LSDHHAIUSA-N 302.378 -0.098 30 20 DBED C=CCCCC(=O)N[C@H]1CCN(CC(=O)NCC#N)C[C@@H]1O 1099976648 PORUZGBBOGFTCC-STQMWFEESA-N 308.382 -0.466 30 20 DBED C=CCN1CC[C@H](NC(=O)CNC(=O)c2cscn2)[C@@H](O)C1 1100064754 QVMIPSWPJMECTR-JQWIXIFHSA-N 324.406 -0.390 30 20 DBED C=CCC1(C(=O)N[C@@H]2CCN(CCO)C[C@H]2O)CCOCC1 1100092226 LHNRBTWSOOCHQX-ZIAGYGMSSA-N 312.410 -0.097 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)CN2CCCC2)[C@H](O)C1 1100109483 GEGLRCYVTOJMSH-LSDHHAIUSA-N 311.426 -0.164 30 20 DBED CC#CCN1CC[C@H](NC(=O)CCN2CCCC2=O)[C@H](O)C1 1100115809 FFDFCYQBDGUCJT-UONOGXRCSA-N 307.394 -0.426 30 20 DBED CN(CCNC(=O)[C@@H]1CCC(=O)N1C)c1cncc(C#N)n1 1100264612 VSSANDQNGCJDPL-NSHDSACASA-N 302.338 -0.479 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)c2csc(O)n2)C1 1100586089 MVQZJHUJIRJNOB-UHFFFAOYSA-N 322.390 -0.304 30 20 DBED C#CCNC1CC(CNC(=O)CN2C(=O)NC(=O)C2(C)C)C1 1100827744 RXULKHWSFWDOGW-UHFFFAOYSA-N 306.366 -0.566 30 20 DBED CC#CCN1C[C@@H](C)[C@H](CNC(=O)CS(=O)(=O)NC)C1 1102583263 CXAIRBOAMXOREI-VXGBXAGGSA-N 301.412 -0.757 30 20 DBED C[C@H](NC(N)=O)C(=O)N(C)[C@H]1CCN(c2ccnc(C#N)n2)C1 1102697900 QZVUHIFYVBQLFC-UWVGGRQHSA-N 317.353 -0.558 30 20 DBED CC[C@H](CNC(=O)CN1CCCC1=O)N=c1cc[nH]c(C#N)n1 1102969149 WELOWTFOAJDPAJ-LLVKDONJSA-N 316.365 -0.301 30 20 DBED CNC(=O)CCCC(=O)NC[C@@H](C)CN=c1cc[nH]c(C#N)n1 1103958444 QACORELXWDAYDN-NSHDSACASA-N 318.381 -0.149 30 20 DBED C[C@H](CNC(=O)[C@@H]1CCC(=O)N1)CNc1nccnc1C#N 1104034897 PPBHWVZYLIDELA-UWVGGRQHSA-N 302.338 -0.209 30 20 DBED C[C@@H](CN=c1cc[nH]cc1C#N)CNC(=O)[C@@H]1CNC(=O)N1 1104183188 BYWQEESFLGCXQN-CABZTGNLSA-N 302.338 -0.779 30 20 DBED CC(C)[C@H](CNC(=O)CCNC(N)=O)Nc1cncc(C#N)n1 1105182195 AVSHQJNASJXEEG-NSHDSACASA-N 319.369 -0.041 30 20 DBED CN(CCN(C)c1ccnc(C#N)n1)C(=O)[C@@H]1CC[C@@H]1C(N)=O 1105521116 BNCSVCZNOBFAJI-WDEREUQCSA-N 316.365 -0.246 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)Cn2cccn2)nc1 1105722542 QMKCIUGAGIKHCS-LBPRGKRZSA-N 300.322 -0.261 30 20 DBED CC(=O)N[C@@H](C)C(=O)NC[C@@H](O)CNc1ccc(C#N)c(C)n1 1105734964 IBTRRVQOTJRBBN-GWCFXTLKSA-N 319.365 -0.325 30 20 DBED Cc1[nH]nc(C(=O)NC[C@H](O)CNc2cncc(C#N)n2)c1C 1105761982 JQYUCFIYVJQTBS-LLVKDONJSA-N 315.337 -0.109 30 20 DBED N#Cc1cncc(NC[C@@H](O)CNC(=O)c2ccc(C#N)[nH]2)n1 1105787998 CYZRSPZGQGEWQQ-LLVKDONJSA-N 311.305 -0.249 30 20 DBED N#Cc1nc(=NC[C@H](O)CNC(=O)c2ccc(F)cn2)cc[nH]1 1105800069 FVAPWIKYGZZEDQ-JTQLQIEISA-N 316.296 -0.493 30 20 DBED Cc1nn[nH]c1C(=O)NC[C@@H](O)CNc1snc(C)c1C#N 1106036320 YOXSZWHPKLUABG-MRVPVSSYSA-N 321.366 -0.047 30 20 DBED CC[C@H](NC(C)=O)C(=O)NC[C@@H](O)CN=c1cc[nH]cc1C#N 1106122529 BAEZPWUCAQUQIP-STQMWFEESA-N 319.365 -0.821 30 20 DBED Cc1c[nH]c(C(=O)NC[C@@H](O)CN=c2cc[nH]c(C#N)n2)n1 1106135183 ODGIFEXJFLJUCX-VIFPVBQESA-N 301.310 -0.996 30 20 DBED C[C@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)CCc1cnn[nH]1 1106572568 VYISYQUFQRRHNV-SNVBAGLBSA-N 314.353 -0.172 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1C 1106663594 MKGRKHNNXNGURD-YIYPIFLZSA-N 307.394 -0.273 30 20 DBED C=CCNC(=O)CNC[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1C 1106669105 WZNZUBOOYHOHMQ-LPWJVIDDSA-N 322.409 -0.906 30 20 DBED C#CCNC(=O)CC(=O)N(CC)CCNc1ccc(C#N)nn1 1106730366 UZKXHQQQHQCCPJ-UHFFFAOYSA-N 314.349 -0.252 30 20 DBED N#Cc1nc(=NC/C=C/CNC(=O)CNC(=O)C2CC2)cc[nH]1 1107061095 ITULYJBQIKSSPE-OWOJBTEDSA-N 314.349 -0.619 30 20 DBED C#CCNC(=O)CC(=O)NC/C=C\CNc1cc(F)ncn1 1107130532 PWISTWLBBMNJBH-ARJAWSKDSA-N 305.313 -0.161 30 20 DBED C[C@H](CN=c1cc[nH]cc1C#N)NC(=O)C[C@H]1CC(=O)NC1=O 1107825788 GZHMACSWADCBIT-ZJUUUORDSA-N 315.333 -0.655 30 20 DBED CC(C)CO[C@H](C)C(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1 1108514951 IQLHFLPQCNINGB-CHWSQXEVSA-N 322.409 -0.028 30 20 DBED CN(CCCN=c1cc[nH]c(C#N)n1)C(=O)[C@H]1CCCNC1=O 1109544505 XYKYNKIRRYNPHY-NSHDSACASA-N 316.365 -0.443 30 20 DBED COCCOCC(=O)N[C@H]1[C@H]2C[C@H]1N(c1cnc(C#N)cn1)C2 1109694507 AAGVKLOUYIDPJJ-NVBFEUDRSA-N 317.349 -0.295 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C(=O)NCC1CC1 1109897728 IJNRTHKSPXGTEY-ILXRZTDVSA-N 319.405 -0.116 30 20 DBED CN1CC[C@H](C(=O)NCC2(Nc3cnc(C#N)cn3)CC2)C1=O 1110307414 ZMLDYNSSYOYZHK-LLVKDONJSA-N 314.349 -0.113 30 20 DBED N#Cc1nccc(N2CC[C@](O)(CNC(=O)[C@H]3CCOC3)C2)n1 1111044192 UADTWCDQAGYAAF-NHYWBVRUSA-N 317.349 -0.558 30 20 DBED Cc1n[nH]cc1C(=O)N(CCO)CCNc1cncc(C#N)n1 1111534009 SIVHJIWQABJFQP-UHFFFAOYSA-N 315.337 -0.074 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CCCN(c2cncc(C#N)n2)CC1 1111983232 HXBYOFYVLXRMEG-LLVKDONJSA-N 316.365 -0.041 30 20 DBED C#CCNC(=O)CC(=O)N1CCN(CCOC2CCC2)CC1 1112777901 RQPCTIFRUZXRSL-UHFFFAOYSA-N 307.394 -0.161 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)/C=C\c2ccc[nH]2)CC1 1112788042 RBCZWHGXVDDJQA-ARJAWSKDSA-N 301.350 -0.188 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCN(CCNC(=O)C2CC2)CC1 1112846007 CHQUVGJPDUYDLG-ZDUSSCGKSA-N 307.394 -0.305 30 20 DBED Cc1cc(C#N)nc(N[C@@H](C)[C@H](C)NC(=O)CNC(N)=O)n1 1112893796 BBNJBZAVLCQLCT-IUCAKERBSA-N 305.342 -0.370 30 20 DBED C[C@H](NC(=O)CS(C)(=O)=O)[C@@H](C)Nc1cnc(C#N)cn1 1112926049 OFWIAGCEPQVRDZ-BDAKNGLRSA-N 311.367 -0.302 30 20 DBED COCC#CCN1CCN(C(=O)c2ccc3nn[nH]c3n2)CC1 1112929697 IUFCWPYNXMUOGZ-UHFFFAOYSA-N 314.349 -0.240 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN(CC(=O)NC(N)=O)CC1 1113421217 XGXDTIQXKMXDBE-AAEUAGOBSA-N 324.381 -0.693 30 20 DBED Cc1cc(C(=O)N2CCN(CC(=O)NCC#N)CC2)nc(C)n1 1113427123 BMWFGDBFNQEHJY-UHFFFAOYSA-N 316.365 -0.509 30 20 DBED C[C@H](CNC(=O)CS(C)(=O)=O)N(C)c1cncc(C#N)n1 1113521547 XVLKRKHSZYHJOQ-SECBINFHSA-N 311.367 -0.666 30 20 DBED C=CCNC(=O)NC(=O)CN1C[C@H]2[C@H](NC(=O)CCOC)[C@H]2C1 1113762248 RBDVLXCFGYVHSE-YABSGUDNSA-N 324.381 -0.919 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)c3cccn3C)[C@@H]2C1 1113860541 NJXMBMCQIIIPQW-VXGBXAGGSA-N 300.362 -0.566 30 20 DBED C=C[C@](C)(O)CC(=O)NC1[C@H]2CN(Cc3nnnn3C)C[C@H]12 1114194296 NUQCEPDAYLOMDM-BHDSKKPTSA-N 306.370 -0.916 30 20 DBED C=CCOCCN1C[C@H]2C(NC(=O)[C@H]3CC(=O)N(C)C3)[C@@H]2C1 1114357695 HSSSUDKQOXFTNE-YNEHKIRRSA-N 307.394 -0.286 30 20 DBED C=CCCCN1C[C@H]2C(NC(=O)Cn3ccc(O)nc3=O)[C@@H]2C1 1114528751 BQBJCXYLFCTEMM-VXGBXAGGSA-N 318.377 -0.039 30 20 DBED C=C[C@@](C)(CC)C(=O)N[C@H]1[C@@H]2CN(CC(=O)NC(N)=O)C[C@@H]21 1114791648 IGMMWFIHEQQEPT-MAWWSGROSA-N 308.382 -0.170 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCC(F)(F)C1 1117587247 RYOFWVATBAENSC-UHFFFAOYSA-N 310.322 -0.429 30 20 DBED C[C@@H](O)CC(C)(C)CNC(=O)C(=O)N1CCN(CCC#N)CC1 1119137829 KFKXLKCDBCLGLF-CYBMUJFWSA-N 324.425 -0.042 30 20 DBED C#CCCn1nnnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1120236089 OFXFWEAOXKZVCS-SNVBAGLBSA-N 303.326 -0.831 30 20 DBED C=CCOCC(=O)NC[C@H](CO)Nc1ncc(C(=O)OC)cn1 1121324746 QERWCMFOXYAGHV-LLVKDONJSA-N 324.337 -0.645 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)Cc2cncnc2)nn1 1121411432 FJGQWPBWMHHYLC-LBPRGKRZSA-N 313.321 -0.730 30 20 DBED Cc1ncccc1C(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1 1121943215 JTYHDKQBJUVMRH-LLVKDONJSA-N 312.333 -0.324 30 20 DBED N#Cc1cncc(N[C@H](CO)CNC(=O)c2n[nH]cc2F)n1 1122495158 YYVHKOHOYONXTM-QMMMGPOBSA-N 305.273 -0.587 30 20 DBED Cc1cc(C#N)nc(N[C@H](CO)CNC(=O)[C@H]2OCC[C@H]2C)n1 1122584159 DRUBBWWSNPRRQA-ICCXJUOJSA-N 319.365 -0.029 30 20 DBED CN(C[C@@H](O)CNc1cnc(C#N)cn1)C(=O)[C@H]1CCCO1 1124066401 VMFWJQYQMGAZBM-NWDGAFQWSA-N 305.338 -0.242 30 20 DBED C[C@@H](C#N)C(=O)NCc1cnn2c1CN([C@@H](C)C(N)=O)CC2 1128265414 ZWRQTZWBXZUJFU-UWVGGRQHSA-N 304.354 -0.652 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)c1[nH]c(O)nc1C 1129995294 IXXCOGWRPPOOHW-UHFFFAOYSA-N 322.369 -0.495 30 20 DBED C#CCNC(=O)CNCCNC(=O)CCc1nc(C(C)C)no1 1132139201 XWTIUKWUGPGSFQ-UHFFFAOYSA-N 321.381 -0.419 30 20 DBED Cc1nn[nH]c1C(=O)N[C@H](C)C[C@@H](C)NCC(=O)NCC#N 1135161226 KLOJRMXETDKBON-RKDXNWHRSA-N 307.358 -0.761 30 20 DBED CC(=O)CCCC(=O)N1CC2(CCN(CC(=O)NCC#N)C2)C1 1146992312 GMOALCUONFALOG-UHFFFAOYSA-N 320.393 -0.080 30 20 DBED N#CCNC(=O)CN1CCC2(C1)CN(C(=O)c1ccncn1)C2 1148471670 KBXIZFAKEGQYSI-UHFFFAOYSA-N 314.349 -0.736 30 20 DBED C#CCCN1CCCO[C@@H](CNC(=O)Cc2n[nH]c(C)n2)C1 1149688338 VUIYZDVFBLTENR-ZDUSSCGKSA-N 305.382 -0.114 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)CCc1c(C)n[nH]c1C 1150740140 GURUGRCIAKJANC-CYBMUJFWSA-N 319.409 -0.197 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)Cc1ccc(C)nc1 1151185576 ZPVCVXYOMMTYGP-CYBMUJFWSA-N 302.378 -0.224 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)CCCCC(=O)NC 1153065917 UZDRTTOYTPVILG-LBPRGKRZSA-N 312.414 -0.311 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)CN1CCOCC1 1156777494 RMTOZBWDRAKHRR-CYBMUJFWSA-N 312.414 -0.895 30 20 DBED N#CCNC(=O)CNCCCNC(=O)c1cccc2nn[nH]c12 1158712490 CNGMXGQTCWDIJO-UHFFFAOYSA-N 315.337 -0.693 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1cn2c(n1)CCCC2 1159215458 UUSZTXANMRYYNN-UHFFFAOYSA-N 317.393 -0.322 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)CN1CCCCC1=O 1161730217 RBRGROPNAQLDSR-ZDUSSCGKSA-N 322.409 -0.767 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1ccn2cncc2c1 1161864068 WHJZBHVNWUZSEH-UHFFFAOYSA-N 313.361 -0.207 30 20 DBED C=C(C)CCNCCCNC(=O)[C@H](CCC(N)=O)NC(C)=O 1168502752 CKLNVUPYVKPKEF-ZDUSSCGKSA-N 312.414 -0.181 30 20 DBED C#CCNC(=O)CNCCCNC(=O)COCc1ccncc1 1169220722 DFTNGTGEPLTHHC-UHFFFAOYSA-N 318.377 -0.557 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@@](C)(NC(C)=O)C1CC1 1170867772 MOMFKYQFCDEUEY-INIZCTEOSA-N 324.425 -0.311 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2nnn(C)c2C)[C@H]1C 1178405307 IGGKYRBRPOOAFD-JQWIXIFHSA-N 318.381 -0.934 30 20 DBED C#CCNC(=O)CNCCCCCCNC(=O)[C@H](C)CC(N)=O 1179226490 WBLXNBBMZFAYIN-CYBMUJFWSA-N 324.425 -0.487 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H](C)n2cncn2)C1 1182074918 WBGVXHSQCSXEBQ-VXGBXAGGSA-N 306.370 -0.668 30 20 DBED CC[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](NCC(=O)NCC#N)C1 1184452828 AIVZBUJWICICHM-UPJWGTAASA-N 308.382 -0.368 30 20 DBED C#CCCN[C@@H]1CCN(C(=O)[C@H](CCC)S(N)(=O)=O)C1 1184584679 GFBSFVOWVOZDMO-NEPJUHHUSA-N 301.412 -0.343 30 20 DBED C=CCNCc1cn([C@H]2CCCN(C(=O)CC(=O)NC)C2)nn1 1185925692 TWJWXSXHKZVMGB-ZDUSSCGKSA-N 320.397 -0.147 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CN(CC(=O)N3CCC3)C[C@H]21 1187882388 ODZZYBQTTVFJIY-SOUVJXGZSA-N 319.405 -0.210 30 20 DBED C=CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3cnn[nH]3)[C@@H]2C1 1188428290 PLXWQYZMXLGBLX-CMPLNLGQSA-N 304.354 -0.747 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2ccnn2C)C1 1189214136 CRHOSUKLONRGPN-LBPRGKRZSA-N 303.366 -0.684 30 20 DBED CCS(=O)(=O)NCCN(C)[C@H]1CCN(C(=O)[C@H](C)C#N)C1 1189401090 RYWNQBJBHZXPBR-NEPJUHHUSA-N 316.427 -0.382 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)Cc2ccn(C)n2)C1 1190066076 DCKRYKRAZZLPKH-AWEZNQCLSA-N 317.393 -0.755 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)C2(CF)CC2)C1 1196097873 RCOJQGWMNXRCFM-IJLUTSLNSA-N 313.373 -0.412 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)CCc2cnn[nH]2)CC1 1197188340 ZPSRATAHVBKKAG-UHFFFAOYSA-N 318.381 -0.979 30 20 DBED C=C(C)CN1CCCN(C(=O)[C@H](CCC(N)=O)NC(C)=O)CC1 1197461143 MZYYAHLOQSRMMB-AWEZNQCLSA-N 324.425 -0.133 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)c2cnn3cc[nH]c23)C1 1198125893 BWRPSOZJZSKBRD-CHWSQXEVSA-N 319.365 -0.360 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)CCCC(N)=O)CC1 1198378029 CJKCNSOIVKZWOE-UHFFFAOYSA-N 310.398 -0.522 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)C(C)(C)NC(=O)NCCC)C1 1199042953 MKUDBGKYJBLZIQ-VXGBXAGGSA-N 310.398 -0.731 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)C2CCC2)CCCO1 1199662081 FYDJTVPZSIXRAF-CQSZACIVSA-N 307.394 -0.257 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(NC[C@@H](O)Cn2cccn2)CC1 1199870848 YPFMFLPYSAMKNU-GXTWGEPZSA-N 305.382 -0.016 30 20 DBED C=CCOCCNC1CCN(C(=O)Cn2cnnc2O)CC1 1200147690 DJKLAVDIVKSPRM-UHFFFAOYSA-N 309.370 -0.233 30 20 DBED C=CCNC[C@@H]1CN(C(=O)CC[C@@H]2NC(=O)NC2=O)CCCO1 1202022722 YEJHHEBDONHUEP-NEPJUHHUSA-N 324.381 -0.632 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)Cc2cnoc2)[C@H](C)C1 1208396081 NGLFXPOXAIJQHJ-YRGRVCCFSA-N 318.377 -0.209 30 20 DBED C=C(C)CN1C[C@@H](NC(=O)CCn2cc[nH]c(=O)c2=O)[C@H](C)C1 1209554804 QGSAYKDQSOBCPK-CHWSQXEVSA-N 320.393 -0.061 30 20 DBED COCC#CCN1C[C@@H](NC(=O)c2cnc(C)cn2)[C@H](OC)C1 1211791660 YMSWAKGMESGEBT-HUUCEWRRSA-N 318.377 -0.136 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(Cc2ncnn2C)C[C@H]1OC 1212194828 YGGNCIRRQKXDIY-JMSVASOKSA-N 323.397 -0.542 30 20 DBED C=C(C)CN1C[C@@H](NC(=O)COCc2ncnn2C)[C@H](OC)C1 1213654081 PCQCIRXXKWILKR-CHWSQXEVSA-N 323.397 -0.277 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](NCCN(C)S(C)(=O)=O)[C@H](C)C1 1214337787 DGHGXWYXNAXHAV-IJLUTSLNSA-N 316.427 -0.526 30 20 DBED N#Cc1ccc(F)c(CN2C[C@H](O)[C@H](NC(=O)CC(N)=O)C2)c1 1219403208 VHOZGQRNKKPKER-OLZOCXBDSA-N 320.324 -0.766 30 20 DBED C[C@@H](c1nncn1C)N1C[C@H](O)[C@H](NC(=O)C#CC2CC2)C1 1219591728 RTUSEOCMILRIJO-UHTWSYAYSA-N 303.366 -0.549 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)[C@@H]2C[C@@H]3C[C@@H]3C2)C1 1220198893 CKCIUDYIBHRNIR-TVDPOAAXSA-N 319.405 -0.668 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)[C@@H](NC(=O)COC)C(C)C)C1 1220502371 INNXONPNHMBOSQ-DYEKYZERSA-N 313.398 -0.879 30 20 DBED C[C@@H](C(=O)NC(N)=O)N1CC[C@@H]2CN(C(=O)C#CC3CC3)[C@@H]2C1 1221535034 JQNFILRURUXOND-CYZMBNFOSA-N 318.377 -0.484 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC(NC(=O)[C@H]2CCCO2)CC1 1225938328 WHQLTKRKQVEKQE-GXTWGEPZSA-N 307.394 -0.116 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)Cc2ccnn2C)CC1 1227060716 LKHCPDSBUXIBNG-UHFFFAOYSA-N 319.409 -0.155 30 20 DBED CCS(=O)(=O)N[C@H](C)C(=O)NC1CCN(CC#N)CC1 1227473970 HKELYSPELTWDRV-SNVBAGLBSA-N 302.400 -0.582 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)[C@H]1CCCN1C 1231217218 PCZGCOOZHIHFKI-UONOGXRCSA-N 306.410 -0.637 30 20 DBED C#CCNC(=O)CC(=O)N(C)C[C@@H]1CCN1Cc1nccn1C 1233808974 GNQLYUWTJJEUKP-ZDUSSCGKSA-N 317.393 -0.408 30 20 DBED C=CCC1(O)CCN(C(=O)C(=O)NCC[S@@](C)=O)CC1 1262122444 IDWOCFFVLYYJBX-HXUWFJFHSA-N 302.396 -0.589 30 20 DBED CCC[C@H](C(=O)N1CCCC[C@@H]1CNCC#N)S(N)(=O)=O 1317187955 FQWAQTJIPGUHQP-VXGBXAGGSA-N 316.427 -0.062 30 20 DBED COC[C@@H]1CN(C(=O)C(=O)Nc2cnn(CC#N)c2)C[C@@H](C)O1 1320625200 QXRHEOQOYSSWPH-PWSUYJOCSA-N 321.337 -0.393 30 20 DBED C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C)CC1 1321259485 KQNJBBJIJQXYFP-GFCCVEGCSA-N 323.422 -0.528 30 20 DBED Cn1cc([C@H](O)CNC(=O)NC2CCN(CC#N)CC2)cn1 1322144663 NSGIDRYKCDFLNC-CYBMUJFWSA-N 306.370 -0.259 30 20 DBED N#CC1(NC(=O)CN[C@H](CC(N)=O)C2CCOCC2)CCC1 1322620593 AVEKSWKKALCBEZ-GFCCVEGCSA-N 308.382 -0.191 30 20 DBED CC(=O)N1CCC[C@@H](CNC(=O)C(=O)N2CC[C@](F)(C#N)C2)C1 1322727798 MIQJYSZNCYQAKZ-WFASDCNBSA-N 324.356 -0.175 30 20 DBED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc2c(c1)C(=O)OC2 1323737019 HFPSBMONJZZWHF-UHFFFAOYSA-N 317.301 -0.286 30 20 DBED O=C(CS[C@@H]1CCS(=O)(=O)C1)N[C@@H]1CCCN(O)C1=O 1325089906 VDIZCAOFZZJIFX-RKDXNWHRSA-N 322.408 -0.597 30 20 DBED COC(=O)CN(CC#N)C(=O)[C@H]1CC12CCS(=O)(=O)CC2 1325819931 IREDFLMCKYUPTQ-SNVBAGLBSA-N 314.363 -0.274 30 20 DBED CC#CCN(C)C(=O)C(=O)N1C[C@@H](N)[C@H](c2cnn(C)c2)C1 1326140539 FKLAOQHLDMLWMW-QWHCGFSZSA-N 303.366 -0.845 30 20 DBED C[C@@H](CS(C)(=O)=O)NC(=O)C(=O)N[C@@H]1CC[C@H](C#N)C1 1326239074 OQPBHUWLAHYNJH-LPEHRKFASA-N 301.368 -0.656 30 20 DBED CCC1(CO)CCN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)CC1 1326531899 IXRJKBGDWYFTOF-MRXNPFEDSA-N 323.393 -0.125 30 20 DBED CN(C)S(=O)(=O)N(CC#N)C[C@@H]1CCCS(=O)(=O)C1 1327517318 KKTRUIINKWPJSN-JTQLQIEISA-N 309.413 -0.557 30 20 DBED Cn1cc([C@H]2C[S@@](=O)CCN2CC(=O)NCCC#N)cn1 1328770483 HPWCHAPWSSIQCN-GTJPDFRWSA-N 309.395 -0.445 30 20 DBED CC[C@H]1COCCN1C(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1330320532 YLAUNLQLXAYFEG-GXTWGEPZSA-N 320.393 -0.177 30 20 DBED CO[C@@H]1CCCN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1 1331989221 QWWAOYLTSSGNIH-ZIAGYGMSSA-N 320.393 -0.177 30 20 DBED C#CCn1ccc(CN(CC)C(=O)C(=O)N2C[C@@H](N)[C@H](C)C2)n1 1335263589 RGTCJWQNGQHOTQ-TZMCWYRMSA-N 317.393 -0.330 30 20 DBED C=C(C)Cn1c(N2CCNC(=O)C2)nnc1[C@](C)(O)COC 1343735886 CBGJKEBVMRAAIK-CQSZACIVSA-N 309.370 -0.356 30 20 DBED CS(=O)(=O)C1(C(=O)Nc2cnn(CC#N)c2)CCOCC1 1361688618 RCKHUWOHIBRGCH-UHFFFAOYSA-N 312.351 -0.061 30 20 DBED CN(C)C(=O)O[C@@H]1CCCN(c2[nH]c(=O)n(C)c(=O)c2C#N)C1 1364198436 WEVPNAWMXYNOEB-SECBINFHSA-N 321.337 -0.388 30 20 DBED COCC(=O)NCCC(=O)N1CC[C@@H](N(C)C(=O)[C@@H](C)C#N)C1 1385260544 MAFTUTIXYVKSDZ-NWDGAFQWSA-N 324.381 -0.642 30 20 DBED C[C@@H](C#N)C(=O)NCC1CN(C(=O)[C@@H]2CCCN(C(N)=O)C2)C1 1387929124 MTWPPEXIRMOCNC-CMPLNLGQSA-N 321.381 -0.489 30 20 DBED CC[C@@H](CNC(=O)c1cn(C)nn1)NC(=O)c1cc(C#N)c[nH]1 1388071053 WBCWIUKTCHFZII-JTQLQIEISA-N 315.337 -0.047 30 20 DBED C[C@H](C#N)C(=O)N(C)CC1CCN(C(=O)Cn2ncnn2)CC1 1388906279 LWIAEDABHREWLK-LLVKDONJSA-N 319.369 -0.470 30 20 DBED C=C(Cl)CN1CCO[C@@H](CNC(=O)CN2CCOCC2)C1 1401154440 JNDSXJGYNGKXAZ-ZDUSSCGKSA-N 317.817 -0.112 30 20 DBED CCCS(=O)(=O)CC(=O)N1CCN(C(=O)[C@@H](C)C#N)CC1 1407058921 JBIPOCAIFWQFAU-NSHDSACASA-N 315.395 -0.358 30 20 DBED C[C@H](CCNC(=O)c1cc(C#N)c[nH]1)NC(=O)Cc1nc[nH]n1 1408453263 PYHSVUITKSEYTN-SECBINFHSA-N 315.337 -0.128 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C)C(=O)CCn1ccccc1=O 1408674378 XTRAUBNUWIFLQM-LBPRGKRZSA-N 304.350 -0.027 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1c[nH]c2nccc-2c1 1410129750 NIVDSBKTHBSQIA-SKDRFNHKSA-N 315.333 -0.119 30 20 DBED CC[C@@H]1CN(C(=O)CCn2cc(C#N)c(O)nc2=O)CCO1 1411613099 MKQJZKUBYNDOCO-LLVKDONJSA-N 306.322 -0.152 30 20 DBED N#CCC1CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)CC1 1412818929 WAQSNINWDYNNHL-UHFFFAOYSA-N 301.306 -0.027 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CN(C)C(=O)c1ncccc1F 1425867607 ZWJBAMWBHOJACB-NXEZZACHSA-N 308.313 -0.071 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@@H]1CCN(C(=O)CCn2ccnn2)C1 1429579332 DYYWUEVEFWDWQQ-VXGBXAGGSA-N 304.354 -0.113 30 20 DBED CC(C)C[C@@H](CNC(=O)[C@@H](C)C#N)NC(=O)CCNC(N)=O 1433009338 GOYDLAMSJPOTLE-QWRGUYRKSA-N 311.386 -0.148 30 20 DBED Cn1c(N2CCc3ccnc(N)c3C2)c(C#N)c(=O)n(C)c1=O 1434450940 MDFPCILTJJPEPY-UHFFFAOYSA-N 312.333 -0.504 30 20 DBED C[C@@H](C#N)C(=O)N(C)CC(C)(C)CN[C@H](C)C(=O)NC(N)=O 1440871706 PKMGGPMVXBJBCN-VHSXEESVSA-N 311.386 -0.196 30 20 DBED COC[C@H](C)C(=O)NC[C@H](O)CNC(=O)c1cc(C#N)c[nH]1 1457943054 OEUBZTDNZZJJIT-ONGXEEELSA-N 308.338 -0.624 30 20 DBED CCn1cc(C#N)c(=O)n(Cc2ccc(S(C)(=O)=O)o2)c1=O 1458917273 ZQKSJIPSIQNBRX-UHFFFAOYSA-N 323.330 -0.054 30 20 DBED C#CCNC(=O)CN1CCC[C@@H](NC(=O)c2csnn2)C1 1566626753 YFNDHPGIQOFXJP-SNVBAGLBSA-N 307.379 -0.518 30 20 DBED C=CCOCCN1CC(NC(=O)[C@@H](C)OCc2cnn[nH]2)C1 1575109610 ADVCVIBUOAWPES-LLVKDONJSA-N 309.370 -0.287 30 20 DBED NOCCCNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1580359303 YXEDYMLMDDAIFT-UHFFFAOYSA-N 312.351 -0.878 30 20 DBED C#CCN(CC(=O)O)c1nnc([C@@]2(O)CCOC2)n1CCOC 1588427223 QUQWKDFQBXKOIQ-CQSZACIVSA-N 324.337 -0.943 30 20 DBED C#CCCN1CC(n2cc(CNC(=O)[C@H]3C[C@H]3C(=O)O)nn2)C1 1588447799 QJOIDGOFIYERSU-QWHCGFSZSA-N 317.349 -0.505 30 20 DBED O=C(NCC#CCO)C1=NN(c2ccccc2)[C@@H](C(=O)O)C1 1594736344 DUAYWWDPCBZJJY-CYBMUJFWSA-N 301.302 -0.182 30 20 DBED C[C@@H]1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)[C@H](C(=O)O)C1 1604757316 MSLUENQANUNODY-MXWKQRLJSA-N 317.367 -0.359 30 20 DBED CN1CCN(CCCn2c(N)nc(-c3nn[nH]n3)c2C#N)CC1 1604866479 YABCFSLZFJAFTQ-UHFFFAOYSA-N 316.373 -0.845 30 20 DBED N#Cc1csc(CNC(=O)N2C[C@@H](O)C[C@H](C(=O)O)C2)n1 1608222848 YBTAWVJNACPQDT-CBAPKCEASA-N 310.335 -0.008 30 20 DBED CC[C@@](C)(C#N)C(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 1649801359 FTBUVCSSPOKCMC-GWCFXTLKSA-N 315.395 -0.264 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)C2=CCOCC2)C1 1751797570 DFVLZHDIFFNIKQ-TZMCWYRMSA-N 305.378 -0.339 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCCN(C)[C@@H]1CCN(C)C1=O 1751992175 QMPPTGAKYSPSAB-LSDHHAIUSA-N 320.437 -0.247 30 20 DBED C=CCNC(=O)CN1CC[C@@H](N(C)C(=O)Cc2nnc(C)o2)C1 1753435802 YRYYCWWMTOIQSW-GFCCVEGCSA-N 321.381 -0.245 30 20 DBED C=CCN1CC[C@@H](NC/C=C\CNC(=O)C2(C(N)=O)CC2)C1=O 1754163513 DQONHADVPOPYJN-VSQXVHSFSA-N 320.393 -0.699 30 20 DBED C[C@@H](CNCC(=O)NCC#N)NC(=O)CN(C)c1ccccc1 1754298063 XICVJOLCORBLOE-ZDUSSCGKSA-N 317.393 -0.143 30 20 DBED COCCN(CC#N)C1CCN(C(=O)[C@H](C)NC(C)=O)CC1 1754549673 PDUFLSLQQOEASN-LBPRGKRZSA-N 310.398 -0.026 30 20 DBED N#CCN1CC[C@H](N2CCN(C(=O)C(=O)NCC3CC3)CC2)C1 1754665237 MZHQQOKBDACLCX-AWEZNQCLSA-N 319.409 -0.745 30 20 DBED CC(C)CCC(=O)NC[C@@]1(O)CCN(CC(=O)NCC#N)C1 1754747911 TYHOABGSHMGVAU-HNNXBMFYSA-N 310.398 -0.385 30 20 DBED COCC#CCN1CC[C@@](O)(CNC(=O)c2csnn2)C1 1754756829 WUSBKLCWXFUXBU-CYBMUJFWSA-N 310.379 -0.646 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC(O)(CNC(=O)C#CC(C)(C)C)C1 1754767834 UPNBPBAFGSKXDS-CYBMUJFWSA-N 319.405 -0.663 30 20 DBED C=C(C)CN1CC(O)(CNC(=O)C2CCN(C(C)=O)CC2)C1 1754776646 JMZQZGKLVDQHOT-UHFFFAOYSA-N 309.410 -0.016 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC(CCO)(NC(=O)c2cocn2)C1 1755329907 FDHQUKVDYIEYEG-LLVKDONJSA-N 322.365 -0.468 30 20 DBED C#CCNC(=O)CN1CC([C@@H](C)NC(=O)[C@@H]2CCCOC2)C1 1755376102 WUFAATNVOUFYPI-CHWSQXEVSA-N 307.394 -0.401 30 20 DBED C=CCN1CC([C@@H](C)NC(=O)CN2CCCS2(=O)=O)C1 1755379526 PBRQYRDMYFMCEV-LLVKDONJSA-N 301.412 -0.356 30 20 DBED C=CCNC(=O)CN1CC([C@@H](C)NC(=O)c2c[nH]c(=O)cn2)C1 1755380843 AXLALIUOFGCFDW-SNVBAGLBSA-N 319.365 -0.878 30 20 DBED C#CCCNC[C@H](C1CC1)N(C)C(=O)[C@@H]1CCS(=O)(=O)N1 1755573985 WOAGTPCBCKAZDA-QWHCGFSZSA-N 313.423 -0.472 30 20 DBED COCC#CCN[C@@H](C)CN(C)C(=O)[C@@H]1CCNC(=O)CC1 1755596777 NBYDLKKPXBGBBO-KBPBESRZSA-N 309.410 -0.011 30 20 DBED C#CCCN[C@@H](CO)CNC(=O)c1cnc2n[nH]c(C)c2c1 1755646766 SREJLEANJVGCRJ-GFCCVEGCSA-N 301.350 -0.030 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)C[C@@H]2CCOC2)CC1(C)C 1755752444 CAEODFRWCXDRKX-UONOGXRCSA-N 321.421 -0.011 30 20 DBED CN(C[C@@H](O)CNCC#N)C(=O)C(C)(C)CN1CCOCC1 1755790328 GWSFQXWQVRCYFC-ZDUSSCGKSA-N 312.414 -0.723 30 20 DBED C[C@H](NC(=O)[C@@H]1CCOC1)C1CCN(CC(=O)NCC#N)CC1 1755847818 RDEAWCJPUXDWHA-GXTWGEPZSA-N 322.409 -0.121 30 20 DBED N#CCNC(=O)CN1CC=C(CNC(=O)CN2CCCC2)CC1 1755898002 TXGGYCJWGPYQHM-UHFFFAOYSA-N 319.409 -0.530 30 20 DBED CC(C)C#CC(=O)N1CC2(CCN(C(=O)Cn3ncnn3)C2)C1 1756831147 CAKJVHOANSPXSY-UHFFFAOYSA-N 316.365 -0.607 30 20 DBED C=CCCOCC(=O)N1CC[C@H]2CN(C(=O)CNC(C)=O)C[C@H]21 1756961980 YXGHBFQDMSOYNO-UONOGXRCSA-N 323.393 -0.226 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](NC(=O)/C(C)=C/C)[C@H](O)C1 1757562366 GUNHEYPWHWNWAR-BFHNITGGSA-N 321.377 -0.830 30 20 DBED N#CCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3C[C@@H](O)C3)C2)C1 1778128432 AJEGZTUCQZLQET-ZOWXZIJZSA-N 307.350 -0.499 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](O)c1ccco1)CCO2 1783045920 GJBIRDZEGQKXOA-ZBFHGGJFSA-N 318.329 -0.224 30 20 DBED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cncn3C)[C@H]2C1 1786127774 LWFNYPYCVJFZPS-OBJOEFQTSA-N 316.361 -0.353 30 20 DBED C[C@@H](CC(N)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC#N)C2 1793428835 BDVVPMUXNXPSMP-DYNIEEOBSA-N 322.365 -0.999 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(=O)c1ccco1 1793932073 SUBGPFPOSYPTCD-GNXNZQSNSA-N 316.313 -0.315 30 20 DBED C[C@@H](C(=O)NC(N)=O)N1CCN(c2cc(C#N)ccn2)CC1 29445150 XXZKGSIFZZPPNW-JTQLQIEISA-N 302.338 -0.341 30 20 DBED C#CCOc1cccc(NC(=O)C(=O)NC[C@@H](O)COC)c1 265402132 UFJLXSHPMYPFKT-GFCCVEGCSA-N 306.318 -0.239 30 20 DBED COC[C@H](O)CCNC(=O)C(=O)N1CCc2ccc(C#N)cc21 270809470 CTFUKQKFGQXQRM-CYBMUJFWSA-N 317.345 -0.039 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCCOCC2)C1=O 271860159 LEMRDVLDVIAQLX-JTQLQIEISA-N 309.322 -0.352 30 20 DBED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Cn1ccc(=O)n(C)c1=O 281610534 WLFZBGDUJQROOG-BXUZGUMPSA-N 307.350 -0.356 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)c2cc(C=O)c[nH]2)CC1 292951424 AOJKTIMOWNOKFD-UHFFFAOYSA-N 316.361 -0.276 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H]2CCCOC2)C1=O 299613292 YOLHXOPERGVPLU-JTQLQIEISA-N 309.322 -0.494 30 20 DBED C[C@H]([C@@H](C)S(C)(=O)=O)N(C)/C(O)=N/CCN1CCOCC1 330753377 IXVCCOHNSUKXLW-VXGBXAGGSA-N 321.443 -0.014 30 20 DBED C[C@@H]1CN(C2CC2)C[C@H]1NS(=O)(=O)N1CCO[C@@H](C#N)C1 336949486 RSLGRFQIUJJSMZ-KGYLQXTDSA-N 314.411 -0.472 30 20 DBED CCOC(=O)[C@](C)(O)CNS(=O)(=O)N(C)C[C@@H](C)C#N 336953590 WTZAYWIALHLMTF-GXSJLCMTSA-N 307.372 -0.774 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N[C@H](CO)C1CCOCC1 337153073 LORZQOKBXJUJNY-ZYHUDNBSSA-N 305.400 -0.300 30 20 DBED C=CCN(CCCC(=O)NC(N)=O)[C@@H]1CCS(=O)(=O)C1 343035455 SBWKWANMVUYHDG-SNVBAGLBSA-N 303.384 -0.363 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)c2nccnc2N)CC1 344239178 BTXPSYYOPZDXOT-UHFFFAOYSA-N 304.354 -0.881 30 20 DBED C=CCN(CC=C)C(=O)CN1C(=O)N(CC(N)=O)C(C)(C)C1=O 345457507 JNRZKMBJNNQQLW-UHFFFAOYSA-N 322.365 -0.285 30 20 DBED CC(C)N(C)C[C@H](C)NS(=O)(=O)N1CCO[C@@H](C#N)C1 349785919 WDMZDWLAKOIVRC-RYUDHWBXSA-N 304.416 -0.226 30 20 DBED N#CCNC(=O)CNC(=O)NCCn1c(O)nc2ccccc21 358314964 PMWQKBJVVGDNNL-UHFFFAOYSA-N 316.321 -0.319 30 20 DBED Cc1ncc(S(=O)(=O)NC[C@H]2CNCCN2C)cc1C#N 394394348 BQFZLVIUPDKFQI-GFCCVEGCSA-N 309.395 -0.556 30 20 DBED CCS(=O)(=O)N1CCC[C@@H](C(=O)N2CCO[C@H](C#N)C2)C1 408094175 GIAUZGDUNLUNCQ-VXGBXAGGSA-N 315.395 -0.201 30 20 DBED C[C@H](CN)N(C)C(=O)C(=O)NCCOc1ccc(C#N)cc1 419460813 GPAVEGCQYNCJAT-LLVKDONJSA-N 304.350 -0.141 30 20 DBED C=CCOC[C@H](NC(=O)CNc1ccc(C#N)cn1)C(=O)OC 435944421 SJZKWVADFPQGJF-LBPRGKRZSA-N 318.333 0.226 30 20 DBED C[C@](O)(CNS(=O)(=O)CCCC#N)CN1CCOCC1 443238363 LIGXWHOPFACBKE-LBPRGKRZSA-N 305.400 -0.707 30 20 DBED CN(C)CC(C)(C)CNC(=O)C(=O)Nc1ccn(CCC#N)n1 444575630 TVDZBRHFEWYWOX-UHFFFAOYSA-N 320.397 0.439 30 20 DBED C#CCN1CCN(C(=O)CN2CCN(CC)C(=O)[C@H]2CC)CC1 491043561 CVQGXRUFHPBWOJ-OAHLLOKOSA-N 320.437 -0.294 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(CC2(O)CCCC2)c1=O 535056707 JXAWMKRREKWCGO-UHFFFAOYSA-N 307.350 -0.151 30 20 DBED C=CCn1cc(CNC(=O)N2CC[C@@H](N3CCNCC3)C2)nn1 566104329 SBBRRLZWGBMXIK-CQSZACIVSA-N 319.413 -0.347 30 20 DBED N#CCN1CCC(CNS(=O)(=O)N2CCCOCC2)CC1 593562510 MXVKYMOFZLNJTB-UHFFFAOYSA-N 316.427 -0.221 30 20 DBED N#CC1(CNC(=O)C(=O)N2CCO[C@@H](C(=O)O)C2)CCCCC1 595276582 QHEZYIHCSFXVEX-LLVKDONJSA-N 323.349 -0.111 30 20 DBED CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)N[C@@H]1CC[C@H](C#N)C1 595642570 GUYFINYLWWNHNR-LNFKQOIKSA-N 301.368 -0.210 30 20 DBED N#CCCN1CCN(C(=O)NCCN2CCCOCC2)CC1 601614697 QXQSBYFOHILLMX-UHFFFAOYSA-N 309.414 -0.050 30 20 DBED Cn1cc(C#N)c(NC(=O)NCC2(OCCO)CCOCC2)n1 619727601 SSTLWOWSYYEKQB-UHFFFAOYSA-N 323.353 -0.029 30 20 DBED CC#CC[C@H](CO)NC(=O)[C@H](CO)NC(=O)c1ccc(F)cc1 652494998 IBFYSVXIASBMNM-KGLIPLIRSA-N 322.336 -0.193 30 20 DBED Cc1cccc(NC(=O)C(=O)NCCS(C)(=O)=O)c1C#N 743911130 FBBVZWYCSXMBJB-UHFFFAOYSA-N 309.347 -0.034 30 20 DBED C#CCOCCC(=O)N1CCC[C@@H](CNS(N)(=O)=O)C1 755534995 GGRGCALZBVFGJD-NSHDSACASA-N 303.384 -0.942 30 20 DBED CCS(=O)(=O)NCC(=O)NCCNc1ncccc1C#N 758685532 GZNIFZJUUILBDT-UHFFFAOYSA-N 311.367 -0.579 30 20 DBED C#C[C@@H](NC(=O)NCCNC(=O)c1cc[nH]n1)[C@H]1CCCO1 773438198 WLZQARZODPKDBK-ZYHUDNBSSA-N 305.338 -0.381 30 20 DBED C#CCOCCNC(=O)C(=O)Nc1ccc2c(c1)oc(=O)n2C 785158132 BGASQLFQYZWDHJ-UHFFFAOYSA-N 317.301 -0.164 30 20 DBED CCOCCNC(=O)C(=O)NCCNc1ncccc1C#N 786823968 OOPMURDFXLWKRN-UHFFFAOYSA-N 305.338 -0.366 30 20 DBED CCOCCNC(=O)C(=O)NCCNc1ccc(C#N)cn1 786824540 UWQJQLOYYXUDCH-UHFFFAOYSA-N 305.338 -0.366 30 20 DBED COCCOCCS(=O)(=O)NC(=O)c1cccc(C#N)n1 810636134 LYSSISSHIJLPKU-UHFFFAOYSA-N 313.335 -0.324 30 20 DBED CN(C(=O)NCCn1cnc(C#N)n1)[C@H]1CC(C)(C)OC1=O 813752001 UNVVSBCJVIPRTO-VIFPVBQESA-N 306.326 -0.115 30 20 DBED C[C@@H](CC(=O)N(C)CCN)/N=C1/NS(=O)(=O)c2ccccc21 818010318 JSVLIINZFPNTQW-JTQLQIEISA-N 324.406 -0.079 30 20 DBED COC(=O)N1C[C@H]2C=C[C@H]1[C@H](C(=O)OCC(=O)NCC#N)C2 821097313 RUCGDRJJJCRPQN-AXFHLTTASA-N 307.306 -0.188 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](O)C(C)(C)C)CC1 831568811 SSDVDNVWNCKJIS-LLVKDONJSA-N 317.411 -0.995 30 20 DBED N#C[C@@H]1CNC[C@H]1NC(=O)CNC(=O)c1ccc(F)c(F)c1 834489885 QNXJHVQSVCSGBE-BXKDBHETSA-N 308.288 -0.078 30 20 DBED C=CCn1cc(C(=O)O[C@H](C)CN(C)S(C)(=O)=O)nn1 842777582 IGXRWTKQFMBBKQ-SECBINFHSA-N 302.356 -0.099 30 20 DBED C#CCSCCNC(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 845003982 VTKYPVNRBBTTGO-SNVBAGLBSA-N 305.425 -0.314 30 20 DBED C#CCNS(=O)(=O)N1CCN(c2nc(C)cc(CC)n2)CC1 872633787 MTCWBZORVRLVQD-UHFFFAOYSA-N 323.422 -0.063 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N[C@H]1CCc2n[nH]cc2C1 875082814 HPVCRNDXPTXHRF-STQMWFEESA-N 318.377 -0.072 30 20 DBED C#CCN1CCC[C@@H](NC(=O)NCC2(O)CCN(C)CC2)C1 890371366 UBRPUXNVDISBAS-CQSZACIVSA-N 308.426 -0.160 30 20 DBED C#CC1(O)CN(C(=O)Cc2csc(N3CCOCC3)n2)C1 890525091 LVZBNDZDPCXCNK-UHFFFAOYSA-N 307.375 -0.271 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)c2cnc(C)n2C)CC1 900038431 SJMZDVXESUBFLP-UHFFFAOYSA-N 305.382 -0.211 30 20 DBED C#CCNS(=O)(=O)N1CCN(CCOCCOCC)CC1 930119105 ONBFIWNTOMPVLR-UHFFFAOYSA-N 319.427 -0.875 30 20 DBED C#CC1(O)CN(C[C@H](O)CN2C(=O)c3ccccc3C2=O)C1 934442631 WWSFADIFGSKWBU-NSHDSACASA-N 300.314 -0.677 30 20 DBED C=CCCn1cc(C(=O)NC[C@H]2CCCN2C(=O)C(N)=O)nn1 944248176 JJAMVZCRHXQAFJ-SNVBAGLBSA-N 320.353 -0.940 30 20 DBED CO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1NC(=O)c1c[nH]nc1C 944271948 JBFUCWISZNQSKD-GGZOMVNGSA-N 305.338 -0.167 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](NC(=O)[C@H]2CCNC2=O)[C@H](OC)C1 944415454 UCIXKCXLGPDOOS-QJPTWQEYSA-N 323.393 -0.323 30 20 DBED C=CC(C)(C)C(=O)N1CCO[C@@H](CNC(=O)[C@H]2CCC(=O)N2)C1 944509949 MUZNIJCOSDECOF-NWDGAFQWSA-N 323.393 -0.179 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)C(N)=O)[C@H](C)C2)nc1 955793699 DIDNJSXNJOLKDZ-PWSUYJOCSA-N 314.345 -0.343 30 20 DBED C#CCN1C[C@H](CNC(=O)c2cnc3[nH]nnc3c2)[C@@H](O)C1 958135525 OTKATKUAGPRLAD-JQWIXIFHSA-N 300.322 -0.991 30 20 DBED N#CCN1C[C@H](O)[C@H](CNC(=O)c2ccn(CC(F)F)n2)C1 958164117 ILHFQEDQIPGTBF-KOLCDFICSA-N 313.308 -0.306 30 20 DBED N#CCN1C[C@@H](O)[C@H](CNC(=O)c2ccc3c(n2)OCCO3)C1 958214773 MFMBZHXATHJQRC-ZYHUDNBSSA-N 318.333 -0.601 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2[C@@H]3CN(Cc4nc(O)n[nH]4)C[C@@H]32)[nH]1 958590346 PLLCBTYSMLYRCS-GDGBQDQQSA-N 313.321 -0.430 30 20 DBED CN(C)c1ncccc1C(=O)NC[C@H]1CN(CC#N)C[C@H]1O 958677598 RMRNTEWOAHGTTP-WCQYABFASA-N 303.366 -0.306 30 20 DBED COc1ncnc(OC)c1C(=O)NC[C@H]1CN(CC#N)C[C@@H]1O 958758876 PTCRYXSTXXMLMV-UWVGGRQHSA-N 321.337 -0.960 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)C2CC2)C1 961099229 GFOIKDCYXSHEHB-RDBSUJKOSA-N 305.378 -0.818 30 20 DBED C#CCCN1C[C@H]2C(NC(=O)c3ccc(=O)n(CC)n3)[C@@H]2C1 962075299 NYJVJSWNFCTOLB-VXGBXAGGSA-N 300.362 -0.054 30 20 DBED N#CCN1C[C@H]2C(NC(=O)c3cccc(-n4cnnn4)c3)[C@@H]2C1 962513278 ZZIMFWVRYFBPBV-CHWSQXEVSA-N 309.333 -0.154 30 20 DBED Cc1c(C(=O)NC[C@H]2COCCN2C(=O)[C@@H](C)C#N)nnn1C 964129907 PRLJYIVXLHCVDH-ONGXEEELSA-N 320.353 -0.760 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(CN(C(=O)COC)CCO2)C1 965277754 NEZXMMJXAWFUOR-OLZOCXBDSA-N 324.377 -0.336 30 20 DBED C=CCN1CC[C@H](N[C@@H]2CCN(C(=O)c3cn(C)nn3)C2)C1=O 968575864 KWPTVIXQIXDCIU-NEPJUHHUSA-N 318.381 -0.594 30 20 DBED COCCN1C[C@@H](C(=O)N[C@@H](C)C2CN(CC#N)C2)CC1=O 969787591 DYWQUTRUYHIYQI-RYUDHWBXSA-N 308.382 -0.559 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@H](NC(=O)c2ccncn2)C1 969979935 SCWGCEHQLLCXHC-NEPJUHHUSA-N 304.350 -0.010 30 20 DBED C=CCCn1cc(C(=O)N2CC[C@@H](N[C@H](C)C(N)=O)C2)nn1 970224560 RXJSDEOESIDXPM-GHMZBOCLSA-N 306.370 -0.468 30 20 DBED Cc1nc(CC(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)cs1 970751967 XGBMJJOUSWDIFU-AXTRIDKLSA-N 322.390 -0.158 30 20 DBED N#CCN1C[C@H]2CC[C@H]1CN2C(=O)C1CCN(C(N)=O)CC1 972094896 HMYFTQMGTUIVRZ-QWHCGFSZSA-N 305.382 -0.024 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@]2(CN(Cc3nnnn3C)CCO2)C1 972296475 BQTBLMHIVDNKOZ-BXUZGUMPSA-N 319.369 -0.827 30 20 DBED C#CCCN1CCO[C@]2(CCN(C(=O)CCn3ccnn3)C2)C1 972358562 RQCMRTHJTRVAMO-MRXNPFEDSA-N 317.393 -0.005 30 20 DBED CN(C[C@H]1CCN1C(=O)C#CC1CC1)C(=O)[C@@H]1COCCN1C 977583239 ASJNRTHWKCRUAE-CABCVRRESA-N 319.405 -0.210 30 20 DBED C#CCN1C[C@H]2C[C@@H](NC(=O)c3nnc(O)nc3O)CC[C@H]2C1 980138528 FEXPULCFEQDSLX-AXFHLTTASA-N 317.349 -0.254 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)CC(N)=O)C1 982569772 UHSAAWOBRWMBEH-UTUOFQBUSA-N 309.366 -0.582 30 20 DBED CN1CCO[C@@H](C(=O)NC[C@@H]2CCN(C(=O)C#CC3CC3)C2)C1 982738796 AIRQJCCCWPCUFV-LSDHHAIUSA-N 319.405 -0.305 30 20 DBED C#CCCN1CC[C@]2(NC(=O)CN3CCOCC3=O)CCC[C@@H]12 991091773 YSMLAAAXDHZKCQ-RHSMWYFYSA-N 319.405 -0.018 30 20 DBED O=C(Cc1ncc[nH]1)N[C@@H]1CCN(C(=O)C#CC2CC2)C[C@H]1O 991725322 VTOQVGZJAXHHST-CHWSQXEVSA-N 316.361 -0.556 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCCN(CC(N)=O)[C@H]2C)nn1 993947452 HFRIFNBYTHUSFE-WDEREUQCSA-N 306.370 -0.468 30 20 DBED C[C@@H]1[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)CCCN1CC#N 994208372 IBGQAOHZVPTUEV-MNOVXSKESA-N 307.354 -0.627 30 20 DBED C#CCN[C@H]1CCCN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 1000481694 YUKJZSYJKYBWHJ-NSHDSACASA-N 314.349 -0.715 30 20 DBED O=C(C#CC1CC1)N1CCN(C(=O)CCc2nc[nH]n2)CC1 1010936029 AVOYALQZCIMKFF-UHFFFAOYSA-N 301.350 -0.179 30 20 DBED CC(=O)N1CC(C(=O)N2CCC3(C2)CN(C(=O)[C@@H](C)C#N)C3)C1 1019363702 ZGVDYAPUVSNVPX-NSHDSACASA-N 318.377 -0.315 30 20 DBED C=CCN1CC[C@H](N[C@H]2C[C@H](NC(=O)[C@@H]3COC(=O)N3)C2)C1=O 1020121204 DIZVNSYHWKGHJX-BJDJZHNGSA-N 322.365 -0.882 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@@H](NCc2nnnn2C)C1 1022099726 OZFQIUOTBMOVAX-XQHKEYJVSA-N 320.397 -0.072 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccncc2F)C1 1023265543 AHGLPPUIOAQXDZ-GGZOMVNGSA-N 306.297 -0.318 30 20 DBED CCn1cccc1C(=O)N[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1O 1023809202 MKRWJNNMKUPYJU-NQBHXWOUSA-N 304.350 -0.031 30 20 DBED C[C@@H](NC(=O)c1cn(CC(N)=O)nn1)[C@@H]1CCCN(CC#N)C1 1025630103 PAAFRTBSRMXORJ-GHMZBOCLSA-N 319.369 -0.883 30 20 DBED CC#CCN1CC[C@H](CNC(=O)[C@H]2CCN(C)S2(=O)=O)C1 1028861735 BHFZSAISLUKFAY-CHWSQXEVSA-N 313.423 -0.518 30 20 DBED N#Cc1ccc(C(=O)NC2CN(CCN3CCCC3=O)C2)[nH]1 1030224702 QMPIFGOOVKCBEY-UHFFFAOYSA-N 301.350 -0.077 30 20 DBED C=C(Cl)CN1CC(CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 1031973034 SWBWIFGUZJADHX-WDEREUQCSA-N 301.774 -0.180 30 20 DBED C=C(Cl)CN1CC(CNC(=O)[C@@H]2CCN(C)S2(=O)=O)C1 1032045100 MWSAPLNRPLUAAV-NSHDSACASA-N 321.830 -0.179 30 20 DBED C#CCN1CCCC[C@H](NC(=O)[C@@H]2COCCN2C(C)=O)C1 1034533695 WXYVCIQMPDBEPI-GJZGRUSLSA-N 307.394 -0.162 30 20 DBED Cn1c(O)ncc(C(=O)N[C@H]2CC[C@H](NCC#N)CC2)c1=O 1034703631 BBAQCJQIVXTNQW-MGCOHNPYSA-N 305.338 -0.360 30 20 DBED C#CCCN1CCO[C@@H](CNC(=O)c2cccc(=O)n2C)C1 1035501779 KZTHTFBNJRUBTO-ZDUSSCGKSA-N 303.362 -0.161 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)[C@H]2CCN(C(=O)CC)C2)C1 1035569212 DEEMMSUDBGAPOA-KBPBESRZSA-N 307.394 -0.305 30 20 DBED C=CCOCC(=O)N1CC[C@@](O)(CNC(=O)CC(C)(C)O)C1 1039589543 ZXSVPZYPNUFCCB-OAHLLOKOSA-N 314.382 -0.570 30 20 DBED O=C(C#CC1CC1)NC[C@@]1(O)CCN(C(=O)Cc2cc[nH]n2)C1 1039680799 NLKHJBIPYPWBPF-INIZCTEOSA-N 316.361 -0.555 30 20 DBED C=CCCOCC(=O)NC[C@@]1(O)CCN(C(=O)c2cn[nH]c2)C1 1040157005 QKPWVECXGYENQA-HNNXBMFYSA-N 322.365 -0.304 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(O)(CNC(=O)c2ccccn2)C1 1041167808 XSICGKCICQXQDL-OAHLLOKOSA-N 319.361 -0.288 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)c2cccnc2)C1 1042036167 YCDWOEYEUILLIC-UHFFFAOYSA-N 305.334 -0.413 30 20 DBED N#CCN1CC[C@@H]2CCN(C(=O)CN3CCOCC3=O)C[C@@H]21 1042098770 RZUCNYCFDUJRLH-OLZOCXBDSA-N 306.366 -0.708 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(O)(CNC(=O)c2cn(C)cn2)C1 1042547314 PUBURXRNQBVDAQ-AWEZNQCLSA-N 322.365 -0.950 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)C1CN(Cc2cnn(C)n2)C1 1042960256 MNWKINAGEDSBFW-HNNXBMFYSA-N 316.409 -0.445 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)[C@@H](C)CCOC)C1 1043167506 WRIJFUFUJSUKIN-LBPRGKRZSA-N 314.382 -0.449 30 20 DBED CC[C@@H]1CCO[C@@H]1C(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1043658527 KCBPQQOSDMLNJP-HIFRSBDPSA-N 320.389 -0.096 30 20 DBED C=CCN1CC[C@H](N2CC(N(C)C(=O)c3ccn(C)n3)C2)C1=O 1044292612 XZQYRBPGRTUESE-AWEZNQCLSA-N 317.393 -0.037 30 20 DBED Cc1cc(C(=O)N2CC(O)(CNC(=O)[C@@H](C)C#N)C2)nn1C 1045540734 LGDQEJXTIMNOPC-VIFPVBQESA-N 305.338 -0.809 30 20 DBED CC#CCN1C[C@H]2CN(C(=O)CN3CC(=O)N(C)C3=O)C[C@H]2C1 1049168807 LLHXBKNPYNFXTP-BETUJISGSA-N 318.377 -0.706 30 20 DBED CCN(C)CCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)C#N)C1 1049393721 DJEDPOJJGQLCMA-AVGNSLFASA-N 310.398 -0.482 30 20 DBED C[C@H](NC(=O)Cn1ncnn1)[C@H]1CCN(C(=O)C#CC2CC2)C1 1050671879 FTPQQTCOYHRICH-AAEUAGOBSA-N 316.365 -0.560 30 20 DBED C=CCN1CCOC[C@H]1CNC(=O)c1nc2ncccn2n1 1051174493 JBMFSSJSKNIAPM-LLVKDONJSA-N 302.338 -0.259 30 20 DBED N#Cc1cnccc1N1CC[C@@H](NC(=O)c2cnn[nH]2)[C@@H](O)C1 1051805004 BINVCEHWERNFDT-MFKMUULPSA-N 313.321 -0.559 30 20 DBED Cc1nn(CC(=O)N[C@@H]2CCCN(CC#N)CC2)c(=O)n1C 1052902095 XFOJPWTVEKJNEX-GFCCVEGCSA-N 306.370 -0.616 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)C[C@@H]1CCC(=O)N1C)CCO2 1053370035 SCGSFJAJRXRBNR-AWEZNQCLSA-N 319.405 -0.066 30 20 DBED CN1C(=O)CCC[C@@H]1C(=O)NC[C@H]1CCC2(CN(CC#N)C2)O1 1053694743 YOIMGLSISIMDKO-CHWSQXEVSA-N 320.393 -0.130 30 20 DBED C=CCN1CC2(C[C@H](NC(=O)C3CS(=O)(=O)C3)CO2)C1 1053814089 HEWFYFFGRWNAQH-NSHDSACASA-N 300.380 -0.824 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)c3ccc4nnnn4c3)CO2)C1 1053869815 ULEJOAFCEPIZLZ-NSHDSACASA-N 313.321 -0.779 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)[C@H]3CCc4nc[nH]c4C3)CO2)C1 1053976244 CZBJQKIRFBAXPZ-RYUDHWBXSA-N 315.377 -0.002 30 20 DBED C=CCOCC(=O)N1C[C@@H]2CN(C(=O)[C@H]3CCNC3=O)C[C@@H]2C1 1055250585 FZKOXRNFYYWHHH-XQQFMLRXSA-N 321.377 -0.758 30 20 DBED C#CCCCC(=O)N1C[C@H]2CN(C(=O)[C@H]3COC(=O)N3)C[C@H]2C1 1055306815 HDBKRLNPOUALCR-FRRDWIJNSA-N 319.361 -0.185 30 20 DBED Cc1nc(CC(=O)N2CCN(c3cnc(C#N)cn3)CC2)n[nH]1 1055798800 KJDJAZRTLUCLTJ-UHFFFAOYSA-N 312.337 -0.334 30 20 DBED Cc1nonc1C(=O)NC1[C@H]2CN(c3ccnc(C#N)n3)C[C@H]12 1056242970 RQZJODYSNGDTOQ-IUCAKERBSA-N 311.305 -0.096 30 20 DBED N#Cc1ccc(C(=O)N(CCO)CCNC(=O)c2cc[nH]n2)[nH]1 1057367202 RXMWOBAEIDEDFK-UHFFFAOYSA-N 316.321 -0.526 30 20 DBED Cc1ccnc(C(=O)NCCN(CCO)C(=O)C#CC(C)C)n1 1057517055 JHYTYKCICHGXLP-UHFFFAOYSA-N 318.377 -0.005 30 20 DBED C#CCOCCC(=O)N(CCO)CCNC(=O)Cc1cnoc1 1057583159 IHVXUFCYXVCCOK-UHFFFAOYSA-N 323.349 -0.806 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)[C@@H]1CCCNC1=O 1057884752 PDNZWTNUYIZQCY-GFCCVEGCSA-N 311.382 -0.584 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)C1CC(OC)C1 1057889747 HBGUZWCLTXZXGH-UHFFFAOYSA-N 314.382 -0.449 30 20 DBED C=CCOCC(=O)N1CC[C@@H](CCNC(=O)[C@H]2CCNC2=O)C1 1059337613 MAQSKUIREUDKTN-CHWSQXEVSA-N 323.393 -0.320 30 20 DBED C#CCO[C@H](C)C(=O)NCC[C@@H]1CCN(C(=O)CC(N)=O)C1 1059380410 CWQVUKKKRNPNGN-VXGBXAGGSA-N 309.366 -0.745 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)CCCC(N)=O 1061683417 DXLLIPMRBGXFAJ-GHMZBOCLSA-N 310.354 -0.855 30 20 DBED C[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(C#N)nn1)n1cncn1 1062477574 PDXMCNZGKVROMQ-DRZSPHRISA-N 324.348 -0.010 30 20 DBED N#CCSCC(=O)NC1(CNC(=O)[C@@H]2CCC(=O)N2)CCC1 1063839374 OLVJOADHJPOION-JTQLQIEISA-N 324.406 -0.323 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)[C@@H]2CC(=O)N(C)C2)CCC1 1064310882 SDYWYZKXFUUEKO-WDEREUQCSA-N 306.366 -0.221 30 20 DBED CS(=O)(=O)CC(=O)N1CCC[C@H]1CNc1ccc(C#N)nn1 1064871032 LABPWPRSDFHTRX-NSHDSACASA-N 323.378 -0.204 30 20 DBED CC(C)C#CC(=O)N1CCO[C@@H](CNC(=O)c2cn(C)nn2)C1 1065128578 FKAXTULOFYFEEZ-LBPRGKRZSA-N 319.365 -0.568 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(C(=O)Cn2cncn2)CCO1 1065638317 LNYYCFFUPCXDSQ-ZDUSSCGKSA-N 317.349 -0.965 30 20 DBED C=C(C)C(C)(C)C(=O)N1CC2(C[C@@H](NC(=O)CC(N)=O)CO2)C1 1068781981 IOQUMRNDXOOMHO-LLVKDONJSA-N 323.393 -0.050 30 20 DBED C=C(C)C[C@@H](C)C(=O)N1CC2(C[C@H](NC(=O)C(N)=O)CO2)C1 1068991694 AUQITBRAIHQOAD-MNOVXSKESA-N 309.366 -0.440 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1COC2(C1)CN(C(=O)Cc1ncc[nH]1)C2 1069003346 LVLLIFJYARGFJV-MNOVXSKESA-N 317.349 -0.402 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@]2(F)CCOC2)C1 1070006376 SKRWQLWPGFUPCZ-DYEKYZERSA-N 307.329 -0.619 30 20 DBED C=CCOCC(=O)N1CCC[C@@H](NC(=O)Cn2cnnc2O)C1 1070554086 FSGAPJJCDMOTON-LLVKDONJSA-N 323.353 -0.707 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@@H](NC(=O)[C@H]2C[C@@H]2C)C1 1070639232 AXOPXHSCDNJEKV-XQQFMLRXSA-N 305.378 -0.111 30 20 DBED C=CCCOCC(=O)N1CCC[C@@H](NC(=O)C2(C(N)=O)CC2)C1 1070902663 OVRRIJTVXPZYAK-GFCCVEGCSA-N 323.393 -0.048 30 20 DBED C=C(C)CN1CCNC(=O)CCN(C(=O)c2cnn[nH]2)CC1 1070976798 QEIBIYZNLAALJL-UHFFFAOYSA-N 306.370 -0.355 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)[C@]2(C)CCC(=O)N2)CC1 1070997385 HLDXPZXEZLVSGD-INIZCTEOSA-N 322.409 -0.508 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CN(C(=O)CSC)C[C@@H]1C 1071543164 UTRYOLBOFYDUML-QWRGUYRKSA-N 311.407 -0.548 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CCN(C(=O)Cn2ncnn2)CC1(C)C 1073485629 XPROFEIPLMMMOD-QWRGUYRKSA-N 319.369 -0.424 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)c2cnn(C)c2OC)C1 1073870780 BSRGMWONGBGDPV-GFCCVEGCSA-N 306.366 -0.117 30 20 DBED C#CCCCCC(=O)NCC1(O)CCN(C(=O)C(N)=O)CC1 1074702341 XRUKNUKCGJHTJE-UHFFFAOYSA-N 309.366 -0.865 30 20 DBED C#CCCCC(=O)N1CC[C@@H](NC(=O)CNC(N)=O)C[C@H]1C 1074819474 UEXMGVJGKMSYHW-VXGBXAGGSA-N 308.382 -0.046 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H](C)CCNC(=O)CCn1ccnn1 1076283752 GUHBPUSATBSZSZ-STQMWFEESA-N 321.381 -0.283 30 20 DBED C=C[C@](C)(O)CC(=O)NCC[C@H](C)NC(=O)CNC(=O)OC 1076300667 QGHYLUXWEZXUCX-HZMBPMFUSA-N 315.370 -0.320 30 20 DBED C#CCOCCC(=O)NCC[C@H](C)NC(=O)Cc1nc[nH]n1 1076505291 PCESQKYLPHZVGR-NSHDSACASA-N 307.354 -0.602 30 20 DBED C=CCCOCC(=O)N[C@@H](C)CCNC(=O)Cn1ncnn1 1076652585 BUAIEENTXSOXNE-NSHDSACASA-N 310.358 -0.723 30 20 DBED C=CCO[C@H](C)C(=O)NCC[C@H](C)NC(=O)[C@H]1CCC(=O)N1 1077066188 JDXKMSURHOAUTF-QJPTWQEYSA-N 311.382 -0.133 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)c2ncccc2NC(C)=O)C1 1077106042 VEBZLZBCOSCMRX-ZIAGYGMSSA-N 316.361 -0.162 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)c2ccc3nnc(C)n3c2)C1 1077274089 XMTBWUPYRIAIBZ-ZIAGYGMSSA-N 313.361 -0.164 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)c2ccc(N(C)C)nc2)C1 1077281963 DALCYXJWFKDRCO-ZIAGYGMSSA-N 302.378 -0.054 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H](C)CCNC(=O)c1cnc(O)n1C 1077736366 PJZKUVVSTNGKKO-QWRGUYRKSA-N 322.365 -0.211 30 20 DBED C=CCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)[C@H]2CCNC2=O)C1 1079982875 LQZWSALWFOTOOY-AAEUAGOBSA-N 323.393 -0.227 30 20 DBED CCN(C(=O)c1cnon1)C1CN(C(=O)CSCC#N)C1 1080333911 IKDJKBVKDXJFRG-UHFFFAOYSA-N 309.351 -0.001 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)c2cccnn2)C[C@@H]1O 1081334770 CICMOUXBYPXEDP-YPMHNXCESA-N 304.350 -0.008 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2ccncc2)C[C@@H]1O 1081343389 BRIGLJOWAUGWBW-KGLIPLIRSA-N 319.361 -0.167 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@H](CNC(=O)CN2CCCC2)C1 1081499051 IBFWFXOVUQOCIO-CABCVRRESA-N 321.421 -0.323 30 20 DBED CC1(C(=O)NC[C@@H]2CN(C(=O)CSCC#N)C[C@H]2O)CC1 1081539952 UFQKRJQEJWHGIP-GHMZBOCLSA-N 311.407 -0.021 30 20 DBED CO[C@@H]1CN(CC(=O)N(C)C)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 1081563444 PJGMMOUWTIZWJK-CHWSQXEVSA-N 319.365 -0.596 30 20 DBED C=CCn1cccc1C(=O)N[C@@H]1CN(CC(=O)NC)C[C@H]1OC 1081799379 NQLPEZVCTVKKAH-TZMCWYRMSA-N 320.393 -0.151 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H]1CCCCN1C(=O)COCC 1081854768 HXLGNHSPUGCRSO-ZDUSSCGKSA-N 323.393 -0.340 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)CC2CS(=O)(=O)C2)C1 1083585270 NKTAJYPTVPFXBC-NEPJUHHUSA-N 302.396 -0.842 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2CN(C[C@H](C)OC)C[C@@H]2O)c1 1083765251 VIRFSUULCOTDRN-GLQYFDAESA-N 303.362 -0.127 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCc3nn[nH]c3C2)C1 1083949877 QRTUWOYOBCGIKG-GDLCADMTSA-N 305.382 -0.353 30 20 DBED C#CCN1C[C@H]2CC[C@H]1[C@@H]1CN(C(=O)Cn3cnnn3)C[C@@H]21 1087336340 ZYKWRRUTEPKKMT-RQJABVFESA-N 300.366 -0.525 30 20 DBED C#CCN[C@@H]1CCCCCN(C(=O)CN2CC(=O)N(C)C2=O)C1 1088412965 UUVDCPCBCGGXSD-CYBMUJFWSA-N 320.393 -0.126 30 20 DBED CNC(=O)CC(=O)N[C@H]1CC[C@@H](C)N(c2nccnc2C#N)C1 1089130003 SYSFZYIHYPOJIN-MNOVXSKESA-N 316.365 -0.042 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2ncccc2NC(C)=O)[C@@H](O)C1 1090317250 YQIDRNAMFKOBCW-OCCSQVGLSA-N 316.361 -0.162 30 20 DBED C#CCN1CC[C@H](NC(=O)c2ccn(CCOC)n2)[C@H](O)C1 1090419591 BAKATRHYGGCMLD-GXTWGEPZSA-N 306.366 -0.672 30 20 DBED C#CCN1CC[C@H](NC(=O)C(=O)N2CCC(C)CC2)[C@@H](O)C1 1090626326 ANUWBBWXGZSKFM-KBPBESRZSA-N 307.394 -0.571 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)CN2C(=O)CCC2=O)[C@H](O)C1 1090796622 QDBYRWGREWCTLO-NWDGAFQWSA-N 309.366 -0.737 30 20 DBED COc1ccnc(N2C[C@H](O)[C@H](NC(=O)CSCC#N)C2)n1 1091070757 NDFTWWZDDDNGGY-ZJUUUORDSA-N 323.378 -0.592 30 20 DBED CO[C@@H](C(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O)C1CC1 1091099088 BHWWVECPPPELMY-MBNYWOFBSA-N 317.349 -0.561 30 20 DBED N#Cc1nc(=N[C@H]2C[C@H](CNC(=O)Cc3nc[nH]n3)C2)cc[nH]1 1091479538 PROSUSZRLFONNJ-MGCOHNPYSA-N 312.337 -0.562 30 20 DBED CCc1nc(C#N)cc(N2CC[C@@H](NC(=O)COC)[C@H](O)C2)n1 1092126454 MTWGVTWBFQZNAH-VXGBXAGGSA-N 319.365 -0.387 30 20 DBED CN(C)C(=O)CC(=O)N[C@H]1[C@@H]2CN(c3ccc(C#N)nn3)C[C@@H]21 1093358063 NPDDLZHLNIAWMA-HBYGRHMLSA-N 314.349 -0.623 30 20 DBED C#CCO[C@@H](C)C(=O)NCCNc1nc(C)nc(N(C)C)n1 1093878233 IRGPFFIPIRXDGQ-JTQLQIEISA-N 306.370 -0.188 30 20 DBED C[C@@H]1C[C@H](C(=O)NCCN=c2cc[nH]c(C#N)n2)CC(=O)N1 1093982439 FPAXPRLRMKLRLS-ZJUUUORDSA-N 302.338 -0.787 30 20 DBED Cc1cc(C#N)nc(NCCNC(=O)CN2CCCNC2=O)n1 1094244846 KUVQEZJCZWYNQL-UHFFFAOYSA-N 317.353 -0.400 30 20 DBED C=CCCN1CC(n2cc(CNC(=O)c3ncn(C)n3)nn2)C1 1094288040 CFHLNQVISDOTLB-UHFFFAOYSA-N 316.369 -0.231 30 20 DBED C#CCCN1CC(N2C[C@@H](NC(=O)Cc3ccon3)CC2=O)C1 1094713554 CVCCMGSJYGJECM-ZDUSSCGKSA-N 316.361 -0.358 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)[C@@]34COC[C@@H]3C4)CC2=O)C1 1094740518 PHNNQHRZVLLYPC-OZVIIMIRSA-N 303.362 -0.943 30 20 DBED CC#CCN1CC(N2C[C@H](NC(=O)[C@H]3CC[C@@H](C)O3)CC2=O)C1 1094789218 XYPASZVNXSUXTQ-UMVBOHGHSA-N 319.405 -0.022 30 20 DBED CC(=O)NCC(=O)N1CCC[C@H](N=c2cc[nH]cc2C#N)C1 1095273347 VVLTYEJLZMQHIZ-ZDUSSCGKSA-N 301.350 -0.086 30 20 DBED CC(=O)N1CC(C(=O)NCCCN(C)c2cnc(C#N)cn2)C1 1095535654 PQVFOFAPYFTBNZ-UHFFFAOYSA-N 316.365 -0.231 30 20 DBED CCNC(=O)CC(=O)NCCCN(C)c1ccnc(C#N)n1 1095541065 CONGIHADKCBSRL-UHFFFAOYSA-N 304.354 -0.183 30 20 DBED CC(=O)N[C@@H](C)C(=O)NC[C@@H](N=c1cc[nH]c(C#N)n1)C1CC1 1096569749 QICCPOBRGLNNCP-JOYOIKCWSA-N 316.365 -0.399 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](Nc2ccc(C#N)nn2)C1 1096937330 NZVVIJMQIIYNJY-LBPRGKRZSA-N 312.333 -0.499 30 20 DBED C=CCCC(=O)N1CC[C@H](n2cc(CN[C@H](C)C(N)=O)nn2)C1 1098634429 RZCHKCFYNZINRN-YPMHNXCESA-N 320.397 -0.019 30 20 DBED CC#CCN1C[C@H]2[C@H]3CC[C@@H]([C@H]2C1)N(C(=O)CNC(N)=O)C3 1099403223 WYYZORMHHRFENL-XUXIUFHCSA-N 304.394 -0.153 30 20 DBED C[C@H](CCNC(=O)CCn1cnnn1)Nc1ccc(C#N)nn1 1099416964 LHTCHZNVQNIYAD-SNVBAGLBSA-N 315.341 -0.268 30 20 DBED CNC(=O)NCC(=O)N[C@H]1CN(CC#N)CC2(CCOCC2)C1 1099583681 XWOCJOVKUIAFBL-GFCCVEGCSA-N 323.397 -0.574 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(Cc2noc(CC)n2)C[C@@H]1O 1099741592 VZLTWLPZTGPKAE-RYUDHWBXSA-N 324.381 -0.114 30 20 DBED C#CCCCC(=O)N[C@@H]1CCN(CCN2CCCC2=O)C[C@@H]1O 1099805288 ZMBIYPNVQSBVLD-CABCVRRESA-N 321.421 -0.036 30 20 DBED COCC#CCN1CC[C@H](NC(=O)CN(C)C(C)C)[C@@H](O)C1 1100132076 NCDOXLWRZPONCK-GJZGRUSLSA-N 311.426 -0.472 30 20 DBED CN(CCNC(=O)[C@@H]1CC[C@@H]1C(N)=O)c1cnc(C#N)cn1 1100269096 OPPQUHWENUPXHC-WDEREUQCSA-N 302.338 -0.588 30 20 DBED C[C@@H](CC(N)=O)C(=O)NC[C@H]1CCCN1c1cncc(C#N)n1 1100886527 KWSARAVNRLXRNR-CMPLNLGQSA-N 316.365 -0.055 30 20 DBED CS(=O)(=O)CC(=O)NC[C@@H]1CCN(c2ccc(C#N)cn2)C1 1100961532 LIRPIFNZZNVXDP-LBPRGKRZSA-N 322.390 -0.060 30 20 DBED CNC(=O)NC(C)(C)C(=O)NCC1CC(NCC#CCOC)C1 1101027487 HKKVYDHOWIYPTP-UHFFFAOYSA-N 324.425 -0.172 30 20 DBED CC[C@H](CNC(=O)c1cc(=O)n(C)o1)N=c1cc[nH]c(C#N)n1 1103070882 SPDRPUHDZYZJEP-SECBINFHSA-N 316.321 -0.318 30 20 DBED C[C@H](CNc1nccnc1C#N)N(C)C(=O)[C@@H]1CNC(=O)N1 1104784561 HGMPYTOIGQDZGY-SCZZXKLOSA-N 303.326 -0.712 30 20 DBED C#CCNCC[C@@H]1CN(C(=O)Cn2nc(C)n(C)c2=O)C[C@H]1C 1104966606 FEHLKFMGCSNSNT-TZMCWYRMSA-N 319.409 -0.402 30 20 DBED CN(CCN(C)c1ccc(C#N)cn1)C(=O)[C@H]1COC(=O)N1 1105393421 VWCQHDYRMFKKSD-LLVKDONJSA-N 303.322 -0.044 30 20 DBED CN(CCN(C)c1cnc(C#N)cn1)C(=O)[C@H]1C[C@H]1C(N)=O 1105559396 MVHCRNKIKXBNTJ-MNOVXSKESA-N 302.338 -0.636 30 20 DBED Cc1cc(=NC[C@@H](O)CNC(=O)c2cnc(C)[nH]2)c(C#N)c[nH]1 1105750747 PHWJKAIEYNVXKS-GFCCVEGCSA-N 314.349 -0.082 30 20 DBED N#Cc1nccnc1NC[C@H](O)CNC(=O)C[C@@H]1CCOC1 1105760792 YMRFHOOFBLKLNT-WDEREUQCSA-N 305.338 -0.336 30 20 DBED C[C@@H](C(=O)NC[C@@H](O)CNc1cncc(C#N)n1)n1cccn1 1105767092 JLACGEBRBRKTAL-JQWIXIFHSA-N 315.337 -0.305 30 20 DBED Cn1ncc(C(=O)NC[C@H](O)CNc2ccc(C#N)nc2)c1N 1105800591 UWNKDIDUDRNBLX-LLVKDONJSA-N 315.337 -0.528 30 20 DBED Cc1nc(C)c(C(=O)NC[C@@H](O)CNc2cnc(C#N)cn2)[nH]1 1106110336 NQWDLGFYHQGBSE-NSHDSACASA-N 315.337 -0.109 30 20 DBED C[C@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)[C@H]1CN(C)CCO1 1106293127 BRBLQSFBSLJIHT-VXGBXAGGSA-N 318.381 -0.593 30 20 DBED N#Cc1ccc(NC/C=C/CNC(=O)[C@@H]2CCC(=O)NC2)nn1 1107592273 BADGXGDFRGKFNZ-FMBMQGQPSA-N 314.349 -0.041 30 20 DBED Cc1cc(=NC[C@@H](C)NC(=O)CCn2cnnn2)c(C#N)c[nH]1 1107891244 RVNSJDZTQRYOFK-LLVKDONJSA-N 314.353 -0.323 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)[C@@H]2CCNC(=O)CC2)C1 1108097118 BRICELZFHJDCCA-XJKSGUPXSA-N 307.394 -0.257 30 20 DBED C#CCCN1CC(N2C[C@@H](NC(=O)[C@H](COC)OC)CC2=O)C1 1108569461 JBSIFUZDXSFVSB-JSGCOSHPSA-N 323.393 -0.928 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)COCCOCC)CC2=O)C1 1108591673 BHKGCVMNEKMQKP-ZDUSSCGKSA-N 323.393 -0.926 30 20 DBED CC#CCN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1nnc(O)nc1O)C2 1108719938 FYWJKOLQTLQAJR-DCAQKATOSA-N 317.349 -0.111 30 20 DBED CNC(=O)C1(C(=O)N[C@H](C)CN(C)c2cnc(C#N)cn2)CC1 1109018570 PJGZRTVNYHFUEJ-SNVBAGLBSA-N 316.365 -0.185 30 20 DBED CN(CCCNc1cncc(C#N)n1)C(=O)[C@H]1CCC(=O)N1 1109392373 DXWVYPJQISESOV-LLVKDONJSA-N 302.338 -0.113 30 20 DBED C=CCN1CC[C@@H](N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)CC(N)=O)C1=O 1110415062 UVBLOICBEONZJC-FVCCEPFGSA-N 320.393 -0.630 30 20 DBED N#Cc1ccc(NC[C@@H]2CCCN2C(=O)CCNC(N)=O)nn1 1110544252 FLHZEYIDFVQGKQ-NSHDSACASA-N 317.353 -0.190 30 20 DBED CC(=O)NCC(=O)N[C@@]1(C)CCN(c2nc(C)cc(C#N)n2)C1 1110718724 NPAQCBUBICXQTN-HNNXBMFYSA-N 316.365 -0.122 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 1113345646 APVZLZHHGPGCMV-HUUCEWRRSA-N 320.437 -0.390 30 20 DBED C[C@H](CNC(=O)[C@H]1COCCO1)N(C)c1nccnc1C#N 1113501949 QVADHTLWKXKWMV-ZYHUDNBSSA-N 305.338 -0.295 30 20 DBED Cc1nsc(N(C)[C@H](C)CNC(=O)CNC(N)=O)c1C#N 1113509501 XEBIUJZACOXDMN-SSDOTTSWSA-N 310.383 -0.068 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)[C@@H](C)OCC=C)CC1 1113714637 IIMYDNYAGDJACJ-UONOGXRCSA-N 307.394 -0.140 30 20 DBED N#CCNC(=O)CN1C[C@H]2C(NC(=O)/C=C\c3ccco3)[C@@H]2C1 1113795069 DSOCAOBEHGPTCN-FGTRRKKMSA-N 314.345 -0.021 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)COCCCC)[C@@H]2C1 1114081736 DNGJMYRKTNXDQL-CHWSQXEVSA-N 307.394 -0.401 30 20 DBED CNC(=O)NC(=O)[C@H](C)N1C[C@H]2C(NC(=O)C#CC(C)C)[C@@H]2C1 1114234039 DQXZFQSGZPAMFM-QJPTWQEYSA-N 320.393 -0.464 30 20 DBED C#CCOCCC(=O)NC1[C@@H]2CN([C@@H](C)C(=O)N(C)C)C[C@@H]12 1114268590 OKMQORWSWUFPRD-YNEHKIRRSA-N 307.394 -0.451 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)[C@@H]3CCN(C)[C@@H]3C)[C@H]2C1 1114298032 BDDLOFSPVJJLOM-MQYQWHSLSA-N 318.421 -0.878 30 20 DBED C=C(C)CCC(=O)NC1[C@H]2CN(CC(=O)NC(=O)NC)C[C@H]12 1114349329 WVWAPMSXVYSXFB-QWRGUYRKSA-N 308.382 -0.155 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)c3cnn[nH]3)[C@H]2C1 1114515523 FVQXYFUEOIZWDM-GUBZILKMSA-N 304.354 -0.845 30 20 DBED N#Cc1ccc(N2C[C@H]3C(CNC(=O)Cn4cncn4)[C@@H]3C2)nn1 1114552262 OIBGWMHPUSRQOU-STQMWFEESA-N 324.348 -0.562 30 20 DBED COCC#CCNC1(CNC(=O)[C@H]2CNC(=O)N2)CCCCC1 1115699287 BFCBLKUMHOHHEZ-CYBMUJFWSA-N 322.409 -0.274 30 20 DBED CNS(=O)(=O)c1ccc(NC(=O)C(=O)N(C)CCC#N)cc1 1116941672 UZPFGIJJFVRLDU-UHFFFAOYSA-N 324.362 -0.095 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H](CO)CNC(=O)Cn1cccn1 1121055665 OSWKSHGMWRMBRV-GFCCVEGCSA-N 300.322 -0.839 30 20 DBED Cc1cc(=N[C@@H](CO)CNC(=O)CSCC#N)c(C#N)c[nH]1 1121086080 JWHSQYPHEOSABV-GFCCVEGCSA-N 319.390 -0.171 30 20 DBED Cc1cc(=N[C@@H](CO)CNC(=O)c2ccnn2C)c(C#N)c[nH]1 1121178296 RZJXOZYSQWKDRE-GFCCVEGCSA-N 314.349 -0.380 30 20 DBED C=CCn1c([C@H]2CNC(=O)C2)nnc1N1C[C@H](OC)[C@H](OC)C1 1121377208 QVRRPUKQFGZGKR-UTUOFQBUSA-N 321.381 -0.082 30 20 DBED Cc1cc(N[C@@H](CO)CNC(=O)C#CC(C)C)n2ncnc2n1 1121521202 VKCRTZFLPSAJHR-GFCCVEGCSA-N 316.365 -0.019 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H](CO)Nc2cnc(C#N)cn2)nc1 1121847571 PSDLVOVJVQNLLZ-ZDUSSCGKSA-N 322.328 -0.073 30 20 DBED C[C@@H]1C[C@H](N=c2cc[nH]c(C#N)n2)CN1C(=O)CCCC(N)=O 1123243708 PULBXIMJZJXFBO-MNOVXSKESA-N 316.365 -0.173 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C[C@@H](O)CNc1ncc(F)cn1 1124520957 YRPPKANMUMXPPT-JQWIXIFHSA-N 310.329 -0.115 30 20 DBED C=CCCC(=O)NCCNCC(=O)N1CCN(C(C)=O)CC1 1124645878 ASFJOOPPWSNZOK-UHFFFAOYSA-N 310.398 -0.651 30 20 DBED C[C@@H]1CN(C(=O)CNCCNC(=O)c2ccc(C#N)[nH]2)CCO1 1125814805 XXUCRIDDBBKWOY-LLVKDONJSA-N 319.365 -0.547 30 20 DBED COc1ccc(CNCCNC(=O)[C@H](C)NC(N)=O)cc1C#N 1126198590 CEKUGBUPGYDQMA-JTQLQIEISA-N 319.365 -0.171 30 20 DBED C#CCO[C@H](C)C(=O)NCCNCC(=O)NC1CCOCC1 1127040076 XXAJDYIWVFXOFW-GFCCVEGCSA-N 311.382 -0.974 30 20 DBED C#CCO[C@@H](C)C(=O)NCc1cnn2c1CN(CC#N)CC2 1128362656 ILAHSJSDCUUYNS-LBPRGKRZSA-N 301.350 -0.123 30 20 DBED C=CCN[C@@H]1CN(C(=O)CNC(=O)OC)C[C@H]1c1cncn1C 1130924713 ABNBGENFEXFUDQ-VXGBXAGGSA-N 321.381 -0.154 30 20 DBED C[C@H]1CC[C@H](NC(=O)Cc2ccon2)CN1CC(=O)NCC#N 1131927580 QAMMQNGQIRFJAJ-AAEUAGOBSA-N 319.365 -0.174 30 20 DBED C[C@@H]1CCN(C(=O)CCN(C)C)C[C@H]1CNCC(=O)NCC#N 1133091605 SQFUSXODRSQXCO-ZIAGYGMSSA-N 323.441 -0.348 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)C1=CCOCC1 1134163505 BMJKYUBUWOPVSM-STQMWFEESA-N 307.394 -0.045 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)CC1CCN(C)CC1 1134783417 WOHYOMUCKLNBKS-ZDUSSCGKSA-N 308.426 -0.438 30 20 DBED C=CCCn1cc(C(=O)NCCN[C@H](C)C(=O)NC2CC2)nn1 1135075334 GJIMBZQJYFRYEX-LLVKDONJSA-N 320.397 -0.159 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)CNC(=O)CCC(C)C 1135403058 DAMNEUIDRBFMRR-ZDUSSCGKSA-N 324.425 -0.618 30 20 DBED CC#CCN[C@H](C)C[C@@H](C)NC(=O)c1cn(C)c(=O)nc1O 1146315845 WGBTUVGGNZJQIJ-GHMZBOCLSA-N 306.366 -0.004 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)c2cnc(OC)nc2)C1=O 1146509021 KYPUCCFBSOFNFL-LBPRGKRZSA-N 319.365 -0.409 30 20 DBED C#CCCN[C@@H](C)C[C@@H](C)NC(=O)CNC(=O)Cn1cncn1 1146560705 CRKYDIQIZAOEIN-QWHCGFSZSA-N 320.397 -0.710 30 20 DBED C=C(C)CN[C@@H](C)C[C@H](C)NC(=O)c1cn(CC(N)=O)nn1 1146582397 HAYQQIGBNJXQJR-QWRGUYRKSA-N 308.386 -0.174 30 20 DBED COCC#CCN1CCCO[C@H](CNC(=O)[C@H]2CCCN2C)C1 1149400278 VOJUKBMLSJRISW-HZPDHXFCSA-N 323.437 -0.063 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)COCc2nccn2C)C1 1149886749 BRSLFPUSGIFETM-AWEZNQCLSA-N 320.393 -0.223 30 20 DBED C#CCCNC[C@H]1CCN(C(=O)CN2CCOCC2=O)C[C@H]1C 1184575443 CXZDCZDFVBESJM-HUUCEWRRSA-N 321.421 -0.057 30 20 DBED Cc1cc(C(=O)N2CC[C@H](N(C)CC(=O)NCC#N)C2)on1 1188846914 WCKPTYVXSYQRPR-NSHDSACASA-N 305.338 -0.231 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)Cc3cnoc3)[C@@H]2C1 1188909538 UNJHONHAWUMPDN-UONOGXRCSA-N 316.361 -0.501 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)C(C)(C)NC(C)=O)C1 1192887536 DYRQKRNTNYZWLD-ZDUSSCGKSA-N 324.425 -0.264 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)CN2CCCC2=O)CC1 1194768591 ANBLOHHTXVGLPP-UHFFFAOYSA-N 322.409 -0.555 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)COC[C@@H]2CCOC2)C1 1196583654 ZOQLPWGIMBQOGG-JHJVBQTASA-N 318.801 -0.047 30 20 DBED N#CCNC(=O)CN1CCCN(C(=O)[C@@H]2C[C@@]23CCOC3)CC1 1197722063 WCHOEUOKGURATI-XJKSGUPXSA-N 320.393 -0.413 30 20 DBED COC(=O)[C@H]1C[C@H]1C(=O)N1CCC(NCC(=O)NCC#N)CC1 1199667284 IETLRFZLVTYBPP-NEPJUHHUSA-N 322.365 -0.984 30 20 DBED C#CCNC(=O)CNC[C@H]1CN(C(=O)/C(C)=C/C)CCCO1 1200215998 RHFRKPCKGXVYHR-GUVYXZIWSA-N 307.394 -0.091 30 20 DBED COc1cc(C(=O)N2CCCO[C@@H](CNCC#N)C2)ncn1 1200519720 KRRRMTVBVRZHLI-NSHDSACASA-N 305.338 -0.171 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)[C@H](C)CC(N)=O)CC1 1201957922 CWMBTHJVKUCWDH-LLVKDONJSA-N 310.398 -0.619 30 20 DBED C#CCNC[C@H]1CN(C(=O)[C@@H]2CCCC(=O)N2C)CCCO1 1201965345 KLUHHSGXXIYVHL-KBPBESRZSA-N 307.394 -0.162 30 20 DBED COCC#CCNC1CCN(C(=O)CN2C(=O)CCC2=O)CC1 1203637080 DRDIOVWUZOZPOZ-UHFFFAOYSA-N 321.377 -0.634 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)CSCC#N)[C@H](C)C1 1206095848 ICISKLWNSRLHMQ-FRRDWIJNSA-N 322.434 -0.182 30 20 DBED C=CCN(CC=C)C(=O)CNCC1CCN(C(=O)C(N)=O)CC1 1206106104 VRNBMCXZEPHYGC-UHFFFAOYSA-N 322.409 -0.500 30 20 DBED C=CCOCC(=O)N[C@@H]1CN([C@@H](C)c2nnnn2C)C[C@H]1C 1206614555 VLVPFVIHRZSIBM-GRYCIOLGSA-N 308.386 -0.090 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2cn(C)nc2C)[C@H](C)C1 1206626578 UGXDDVABIONXQR-BXUZGUMPSA-N 317.393 -0.472 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)[C@@H]2CN(C)CCO2)[C@H](C)C1 1206739355 GPZNUROCUAAHNG-MCIONIFRSA-N 324.425 -0.944 30 20 DBED Cc1cc(CC(=O)N2CCC[C@@H](NCC(=O)NCC#N)C2)no1 1207698565 UAKVJDXAXCSDIU-GFCCVEGCSA-N 319.365 -0.254 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@H](NCc2csnn2)C1 1207869995 OCUNBLCCFLBYEK-NSHDSACASA-N 321.406 -0.242 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)Cn2cncc2C)C1 1208568443 JEHIHUYERCNXMI-AWEZNQCLSA-N 317.393 -0.478 30 20 DBED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)[C@]1(C)C=CCC1 1213273587 VURJLEQSKNZRMS-XJKCOSOUSA-N 320.393 -0.202 30 20 DBED Cc1cn(C)nc1C(=O)N1C[C@@H](NCC(=O)NCC#N)[C@H](C)C1 1214588014 UHHLVMZBBFUQKB-ZYHUDNBSSA-N 318.381 -0.582 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@H](C)OCC#C)C[C@H]1C 1214601966 IQTIRLLHQVRLMM-HZSPNIEDSA-N 305.378 -0.789 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)CO[C@H]2CCOC2)C[C@H]1C 1214613065 WHSTXZYNRYVYNL-QLFBSQMISA-N 310.394 -0.122 30 20 DBED C[C@@H]1CN(C(=O)[C@H](F)C(F)(F)F)C[C@H]1NCC(=O)NCC#N 1214673906 LFPIMUDPUNITHL-MRTMQBJTSA-N 324.278 -0.037 30 20 DBED Cc1ccnn1CC(=O)N1C[C@@H](NCC(=O)NCC#N)[C@H](C)C1 1215709858 JWHZFEFMVATWSF-DGCLKSJQSA-N 318.381 -0.732 30 20 DBED C#CCCN[C@@H]1CN(C(=O)CCn2cc[nH]c(=O)c2=O)C[C@H]1C 1215945595 ZOTMJLJOIOQPTD-CHWSQXEVSA-N 318.377 -0.614 30 20 DBED C=CCN1CC[C@@H](N2C[C@H](O)[C@H](NC(=O)/C=C\C3CC3)C2)C1=O 1219430883 RKIRNYAUBHFFOK-CLDKDVBBSA-N 319.405 -0.099 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)CCc2cnn(C)c2C)C1 1219713922 OFPKXXPBNRNOKU-CABCVRRESA-N 304.394 -0.154 30 20 DBED C[C@H](C(=O)N[C@@H]1CN(CC#N)C[C@@H]1O)N(C)CC(F)(F)F 1220210752 AFFLWZHMQMWZHA-BBBLOLIVSA-N 308.304 -0.446 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2CN(CC#CCOC)C[C@@H]2O)c1 1220315371 XXZZKKMLFGPUEK-CVEARBPZSA-N 313.357 -0.512 30 20 DBED C=CCN1CC[C@@H]2CN(C(=O)CCS(=O)(=O)NC)[C@@H]2C1 1221542446 LQVWVHKOSJVOMS-VXGBXAGGSA-N 301.412 -0.356 30 20 DBED C#CCN1CCS(=O)(=O)[C@H](CCNC(=O)c2ccncc2)C1 1230411024 WNBSBPZDAYCSTN-CQSZACIVSA-N 321.402 -0.066 30 20 DBED C#CCNC(=O)[C@H](C)N(C)CCCNC(=O)[C@H]1CCCOC1 1235581177 CNMSIDDXTNYNJH-KBPBESRZSA-N 309.410 -0.011 30 20 DBED C[C@@H](NC(=O)C(=O)N1CCO[C@@H](C#N)C1)C1=CCN(C)CC1 1261181970 HTBMLZVVEPEGCC-YPMHNXCESA-N 306.366 -0.496 30 20 DBED CS(=O)(=O)CCS(=O)(=O)NCC1CCN(CC#N)CC1 1319264788 JBEWDMIPNPEIJX-UHFFFAOYSA-N 323.440 -0.814 30 20 DBED C=C(Br)CNC(=O)C(=O)N[C@H]1CC(=O)N(C)C1 1322594180 YUCZXMFMHLEWLE-ZETCQYMHSA-N 304.144 -0.642 30 20 DBED C=CCN1CCC(NC(=O)C(=O)NOC[C@H]2CCOC2)CC1 1322802789 RALLLTLHSCEPIG-LBPRGKRZSA-N 311.382 -0.163 30 20 DBED CN1CCN(CCC(C)(C)NC(=O)NCC(=O)NCC#N)CC1 1323413771 NWORUMWDURBYPD-UHFFFAOYSA-N 324.429 -0.659 30 20 DBED C[C@H](NC(=O)C(=O)N1CCC(C)(C#N)CC1)[C@H]1CN(C)CCO1 1324279636 FHWXWLBMIOOFKD-QWHCGFSZSA-N 322.409 -0.026 30 20 DBED CN(C)S(=O)(=O)N(CC#N)CC1CCS(=O)(=O)CC1 1325866199 JVGARONIDSBXFM-UHFFFAOYSA-N 309.413 -0.557 30 20 DBED Cc1cc(CN(C)C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)no1 1326215062 CXQLXLMNMWWXFZ-AWEZNQCLSA-N 306.322 -0.182 30 20 DBED C#CC[C@@H](CO)NC(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1 1328705841 XGEMLCVVDNGPHN-NSHDSACASA-N 324.358 -0.940 30 20 DBED C=CCCN(C)c1nnnn1CCN1CCCS1(=O)=O 1335378191 GPKNHRLXWKHSQE-UHFFFAOYSA-N 300.388 -0.279 30 20 DBED CC#CCN(C)c1nnnn1C[C@@H]1CC[C@H](C(=O)N(C)C)O1 1335865651 GTLDCBDKFOVPTQ-NWDGAFQWSA-N 306.370 -0.232 30 20 DBED C#CCOCCn1nnnc1N1CCN(CC(C)C)C(=O)C1 1344583099 GNNXZPDLNLUAJL-UHFFFAOYSA-N 306.370 -0.373 30 20 DBED C=CCC1(O)CCN(C(=O)C(=O)N[C@H](C)C[S@@](C)=O)CC1 1353756482 XWMGDYMXWRWSTH-WSVYEEACSA-N 316.423 -0.201 30 20 DBED Cn1ncc(Cl)c1C(=O)NCCn1cc(C#N)c(O)nc1=O 1364108256 NTIYGLLQLWKWPG-UHFFFAOYSA-N 322.712 -0.363 30 20 DBED CC[C@@H](CNC(=O)c1cc(C#N)c[nH]1)NCc1nnn(C)n1 1373744424 YXENWJMNOGGONS-JTQLQIEISA-N 302.342 -0.292 30 20 DBED CC[C@H](CNC(=O)Cn1cncn1)NC(=O)c1ccc(C#N)[nH]1 1375253850 ZRSRISVWHKHBPL-SNVBAGLBSA-N 315.337 -0.197 30 20 DBED Cn1nncc1C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N 1411245341 OSUZUBIRKKPBTL-UHFFFAOYSA-N 302.298 -0.501 30 20 DBED C[C@@H](C#N)C(=O)NC[C@](C)(NC(=O)Cn1cncn1)C1CC1 1416371293 YCYVUDRSXRWSHK-HZMBPMFUSA-N 304.354 -0.161 30 20 DBED CCN(CCNC(=O)[C@@H](C)C#N)C(=O)c1cn(C)c(=O)n1C 1431686297 ARWZBASDIWXEEK-JTQLQIEISA-N 307.354 -0.538 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)CCc1ncccn1 1433330984 KQWIAPXBFVBQGO-MNOVXSKESA-N 305.338 -0.838 30 20 DBED CO[C@H]1C[C@H](NC(=O)Cn2cc(C#N)c(O)nc2=O)C12CCC2 1451110070 UOAHXCMDKLBKOG-QWRGUYRKSA-N 318.333 -0.106 30 20 DBED C=CCN1CC[C@@H](N[C@@H](C)CCNC(=O)c2cnn(C)n2)C1=O 1485000127 FJOIENRMLGYRMX-NWDGAFQWSA-N 320.397 -0.300 30 20 DBED Cc1noc(CN2CC(O)(CNC(=O)c3cc(C#N)c[nH]3)C2)n1 1500810211 VHISNYQZSVPGTR-UHFFFAOYSA-N 316.321 -0.446 30 20 DBED C#CCNCC(=O)N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1574729308 GYGCHIOADHIQRE-INIZCTEOSA-N 314.389 -0.420 30 20 DBED C#C[C@H](CO)NS(=O)(=O)c1ccc(C)cc1-c1nn[nH]n1 1588327880 SUYXEPUEPKRBHG-SECBINFHSA-N 307.335 -0.552 30 20 DBED C=C(C)C[C@H](NC(=O)Cn1nc2n(c1=O)CCCC2)C(=O)O 1588543056 CMFISMNLHWSZSC-JTQLQIEISA-N 308.338 -0.083 30 20 DBED N#CCN(CC(=O)O)C(=O)c1ccc(CS(N)(=O)=O)cc1 1601069958 UYRFCTXMVMTHPO-UHFFFAOYSA-N 311.319 -0.475 30 20 DBED C#CCN(CC(=O)O)C(=O)Cc1ccc(S(N)(=O)=O)cc1 1602684059 PCBXPTKCVXWZEN-UHFFFAOYSA-N 310.331 -0.577 30 20 DBED Cc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@](C)(O)C(=O)O 1605245046 UIZRMCSLPNMRRQ-CQSZACIVSA-N 305.290 -0.243 30 20 DBED O=C(N[C@H]1CCCN(O)C1=O)c1ccc(-c2nn[nH]n2)cn1 1606662174 AHYBSIKBSMYSNC-VIFPVBQESA-N 303.282 -0.628 30 20 DBED N#Cc1ccnc(C(=O)N2CCS(=O)(=O)C[C@H]2CC(=O)O)c1 1608221721 ODVUVVBZHWAUNB-SNVBAGLBSA-N 323.330 -0.333 30 20 DBED C=CCNC(=O)CN[C@@H](C)CCNC(=O)c1ccc(=O)n(C)n1 1663008044 HLTSFHVPWSQUIW-NSHDSACASA-N 321.381 -0.820 30 20 DBED COCC#CCN[C@@H](C)CNC(=O)c1nnn(C(C)(C)C)n1 1752876032 PVWUMUUDIBGITQ-NSHDSACASA-N 308.386 -0.214 30 20 DBED CN(CC(=O)NCC#N)[C@H]1CCCN(C(=O)C#CC2CC2)C1 1752990191 CMVNVBCNCBMOIL-AWEZNQCLSA-N 302.378 -0.038 30 20 DBED COCC#CCN1CC(NC(=O)[C@@H]2CCC[C@H](C(N)=O)C2)C1 1753389760 POQOUZPBYCLMQO-QWHCGFSZSA-N 307.394 -0.272 30 20 DBED CCCc1cc(C(=O)NCC2CN(CC(=O)NCC#N)C2)n[nH]1 1753407726 USAAKJJLSVVOEK-UHFFFAOYSA-N 318.381 -0.336 30 20 DBED COCC#CCN[C@@H](CNC(=O)c1ccc(=O)n(C)n1)C(C)C 1753843945 VUHHNVXRUAPVHQ-AWEZNQCLSA-N 320.393 -0.226 30 20 DBED CN1CC(=O)N(CC(=O)N[C@H]2CCC[C@H]2CNCC#N)C1=O 1753897779 OBNLWBIFUORIKO-QWRGUYRKSA-N 307.354 -0.722 30 20 DBED C=C(C)CCNC[C@@H](O)CNC(=O)c1ccnc2[nH]nnc12 1753919566 YUQFSYGSQUOPCD-SNVBAGLBSA-N 304.354 -0.001 30 20 DBED COCC#CCN1CC[C@@](C)(NC(=O)c2cc(=O)n(C)cn2)C1 1754675476 QFUKBFJSBAKMIJ-MRXNPFEDSA-N 318.377 -0.376 30 20 DBED C=CC(C)(C)C(=O)N1CCC[C@@](CO)(NCc2nnnn2C)C1 1755087704 YDOCNVDXQAGPSE-OAHLLOKOSA-N 322.413 -0.135 30 20 DBED C=CCNC(=O)CN(C)[C@@H](C)CNC(=O)[C@H]1CCNC(=O)C1 1755298456 RNXJDTDDQGYEHC-RYUDHWBXSA-N 310.398 -0.749 30 20 DBED C#CCNC[C@H](CCCC)NC(=O)CN1CCCS1(=O)=O 1755358521 PDQORDQBEHPNEU-ZDUSSCGKSA-N 315.439 -0.080 30 20 DBED COCC#CCN[C@@H](CO)CNC(=O)c1cnoc1C1CC1 1755644043 WEEXMQKRXBUWIM-GFCCVEGCSA-N 307.350 -0.118 30 20 DBED C#CCCCC(=O)N(C)C[C@H]1CCCN1C(=O)[C@@H]1CNC(=O)N1 1755926922 VEUZRWQEQUMMPT-OLZOCXBDSA-N 320.393 -0.079 30 20 DBED C=C(C)CCC(=O)N1C[C@H](O)[C@H](NC(=O)CCCC(N)=O)C1 1757187399 ROJJUEOMMJBAKW-NEPJUHHUSA-N 311.382 -0.314 30 20 DBED C=CCCC(=O)N[C@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)[C@@H]1C 1757502825 PVGFAUPWTXSEOQ-VWYCJHECSA-N 322.365 -0.344 30 20 DBED C#CCCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)C(O)O)CCO2 1784193194 LBUMMWMYKIUUMV-MRXNPFEDSA-N 324.377 -0.679 30 20 DBED C[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)C#N)C2 1800746723 CQHUOKSCEPQHEZ-YFKTTZPYSA-N 309.366 -0.493 30 20 DBED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(N)=O)C2 1802023606 IUCRAFKLTKSZEN-DRXBFXEBSA-N 321.377 -0.745 30 20 DBED N#CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCCOC1 1802073330 YLXJHRBKMHLVHH-XPCVCDNBSA-N 321.377 -0.084 30 20 DBED CCCN(CC#N)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O 45092442 LRFRXVCKNKSJNW-UHFFFAOYSA-N 300.340 -0.992 30 20 DBED N#CCNC(=O)CN1CCCc2ccc(S(N)(=O)=O)cc21 81015319 SYTPUNYDJHJLGA-UHFFFAOYSA-N 308.363 -0.274 30 20 DBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H](C)CO 269318292 BWOYBVQVVMSDDW-ZJUUUORDSA-N 311.363 -0.278 30 20 DBED CN1C(=O)C(=O)N(CC(=O)N2CCCC(C)(C)[C@H]2C#N)C1=O 277844634 IZUYOPAJRARXGW-SECBINFHSA-N 306.322 -0.052 30 20 DBED CS(=O)(=O)N1CCC[C@@H]1C/N=C(/O)N1CCO[C@H](C#N)C1 328732958 JHHOECGLIVYDHQ-GHMZBOCLSA-N 316.383 -0.451 30 20 DBED O=C(CC/N=C(/O)N1C[C@H]2[C@@H](O)CC[C@H]2C1)N1CCOCC1 329577723 SVOLSNFBZXUXLK-XQQFMLRXSA-N 311.382 -0.148 30 20 DBED Cc1oc(S(N)(=O)=O)cc1/C(O)=N/CCN1CCOCC1 330659291 XLIMFPJBSFQGIY-UHFFFAOYSA-N 317.367 -0.128 30 20 DBED COC(=O)[C@H]1CNC(=O)CN1C(=O)c1ccc(C#N)cc1C 330995770 TZLLYDKOZLUKBY-GFCCVEGCSA-N 301.302 -0.020 30 20 DBED CCN(C)C(=O)[C@H](C)/N=C(/O)N1CCN(C(=O)COC)CC1 331019511 NOIWPYLIOGPGTE-NSHDSACASA-N 314.386 -0.442 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N1CCS(=O)(=O)CC[C@H]1C 332059882 YJGMDABRAPMVLO-WDEREUQCSA-N 323.440 -0.026 30 20 DBED CS(=O)(=O)N1CCC[C@H](NS(=O)(=O)CC2(C#N)CC2)C1 332149524 IIJQHUBZSTUTIE-JTQLQIEISA-N 321.424 -0.366 30 20 DBED CN(C[C@@H]1CCCC[C@@H]1O)S(=O)(=O)N1CCO[C@@H](C#N)C1 336897297 OHXBNILIVDWJBI-AVGNSLFASA-N 317.411 -0.062 30 20 DBED CCN(CCC#N)S(=O)(=O)N(C)[C@@H](C)CS(C)(=O)=O 337078390 VAIJENNEDGRYBD-JTQLQIEISA-N 311.429 -0.168 30 20 DBED CCN(C[C@H](C)C#N)C(=O)CCn1cc(S(N)(=O)=O)cn1 338365399 CJHCXJOZVNTCFH-SNVBAGLBSA-N 313.383 -0.071 30 20 DBED N#Cc1ccc(C(=O)NC[C@@H]2CCC[C@]23NC(=O)NC3=O)[nH]1 343980235 MFUIQMOKRVSLLY-RTHLEPHNSA-N 301.306 -0.006 30 20 DBED N#Cc1ccc(NCC(=O)N[C@H]2CCCC[C@H]2C(N)=O)nc1 345322557 FTHGPGGLCYSSRI-NEPJUHHUSA-N 301.350 0.525 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H]2CCCC2=O)C1=O 348484757 MXFOEPSEMHZYQT-VIFPVBQESA-N 307.306 -0.551 30 20 DBED N#Cc1cccc(NCC(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)c1 352449567 ANOZUZBHITXFJU-GFCCVEGCSA-N 313.317 -0.267 30 20 DBED N#Cc1c(Cl)cccc1S(=O)(=O)N[C@@H](CO)C(N)=O 352596007 GTESJPNTDRIQSD-QMMMGPOBSA-N 303.727 -0.664 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N[C@@H](C)CN1CCCC1=O 354884252 CFPDFUYLBGQFPR-LBPRGKRZSA-N 311.382 -0.226 30 20 DBED CN(CCC#N)S(=O)(=O)N[C@H](CCO)C1CCOCC1 359194637 ALSRDPAXCJEDKE-GFCCVEGCSA-N 305.400 -0.156 30 20 DBED COC(=O)Cn1cc(S(=O)(=O)N(C)C[C@@H](C)C#N)cn1 360581400 KUKUXBSQCKTDJX-VIFPVBQESA-N 300.340 -0.164 30 20 DBED C=CCC[C@@H](CO)NC(=O)c1cn([C@@H]2COC[C@H]2OC)nn1 424518860 MHLMAFOQICSSGG-CYZMBNFOSA-N 310.354 -0.079 30 20 DBED C=CCOC[C@H](NC(=O)Cn1c(C)cc(C)nc1=O)C(=O)OC 435946772 BYHAHBQXTPLKHN-LBPRGKRZSA-N 323.349 -0.279 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](O)[C@H](N(C)CC(=O)OC(C)(C)C)C1 487692058 RAEIJUMLJLHLEC-IJLUTSLNSA-N 311.382 -0.009 30 20 DBED CN(C)[C@H]1CN(C[C@@H](O)COc2ccccc2C#N)C[C@@H]1O 528509387 LKHPPDWNGPLQBR-ILXRZTDVSA-N 305.378 -0.095 30 20 DBED Cn1c(NCCOc2ncccc2F)c(C#N)c(=O)n(C)c1=O 533466989 LUBYDHHAXBLMMQ-UHFFFAOYSA-N 319.296 -0.019 30 20 DBED CCN1C[C@H](NCCS(=O)(=O)c2ccc(C#N)cn2)CC1=O 567696930 KWMQESPCLKHNLX-GFCCVEGCSA-N 322.390 -0.063 30 20 DBED N#Cc1ccc(S(=O)(=O)CCN[C@@]2(C(N)=O)CCOC2)cc1 570103645 AIFDCSOIUQZLNP-AWEZNQCLSA-N 323.374 -0.434 30 20 DBED CC(C)(CNC(=O)Cn1cc(C#N)ccc1=O)N1CCOCC1 572180218 QQEHPJGOGGCJDY-UHFFFAOYSA-N 318.377 -0.053 30 20 DBED Cc1ccc(C#N)cc1S(=O)(=O)N[C@]1(C(N)=O)CCOC1 578143635 WWBFZGOOUAQZSU-CYBMUJFWSA-N 309.347 -0.211 30 20 DBED C=CCSCCNC(=O)C(=O)N[C@@H](C)[C@H]1CN(C)CCO1 586813219 APZZALFCWBNEGP-NWDGAFQWSA-N 315.439 -0.143 30 20 DBED CC[C@H](C#N)C(=O)N1CCN(S(=O)(=O)NC(C)C)CC1 593742641 XCLJNLWMDOWRRN-LLVKDONJSA-N 302.400 -0.077 30 20 DBED COCCOCCN1CCN(C(=O)[C@@H](N)CCCC#N)CC1 593919174 QXNZDQPUJPGXKK-AWEZNQCLSA-N 312.414 -0.185 30 20 DBED C=CCOC[C@H](NC(=O)[C@H]1CCCS1(=O)=O)C(=O)OC 594351218 KNGWIOGITHZXBF-VHSXEESVSA-N 305.352 -0.576 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1CCN(C(C)(C)CO)CC1 610481280 WQNRAIMYYMGWEM-LBPRGKRZSA-N 312.414 -0.225 30 20 DBED C=CCNC(=O)CNC(=O)NCc1ccc(CC(N)=O)cc1 637344410 CMIFLKMPVBZFME-UHFFFAOYSA-N 304.350 -0.184 30 20 DBED C=C[C@@H](O)C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 668593494 ZLEJLNAUQYOWGU-WDEREUQCSA-N 306.384 -0.862 30 20 DBED C#CCCCS(=O)(=O)N(C)[C@H]1CCN(S(C)(=O)=O)C1 710090674 OJIOAZUVPYXHGR-NSHDSACASA-N 308.425 -0.305 30 20 DBED C=CCOCC(=O)OCC(=O)N(CC)[C@@H]1CCS(=O)(=O)C1 729765757 RQSPVTILVUUVEB-LLVKDONJSA-N 319.379 -0.232 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N1CC(OCCOC)C1 753254413 FRCOAKZHRGBTQC-UHFFFAOYSA-N 306.384 -0.356 30 20 DBED CCOC(=O)[C@H]1NC(=O)N(CCNc2ncccc2C#N)C1=O 761029400 HYZMIXVKTFIFFQ-JTQLQIEISA-N 317.305 -0.151 30 20 DBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(N)=O 766286154 NXYWEOOVHQFEAT-QMMMGPOBSA-N 311.319 -0.746 30 20 DBED CCN(CC)S(=O)(=O)CC(=O)[C@H](C#N)C(=O)NCCOC 784834868 VUYWXADLYIGJBX-JTQLQIEISA-N 319.383 -0.871 30 20 DBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NOCCO 787282840 MCOCHSSDZLZWER-SECBINFHSA-N 313.335 -0.735 30 20 DBED C[C@H](C#N)OCCN1CCN(C(=O)CN2CCOCC2)CC1 801910116 KYYWMRKHXSGXBG-CQSZACIVSA-N 310.398 -0.609 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCNC(=O)C[C@H]1C)[C@@H]1CCCO1 809309746 RBNFKZJJMFTJNT-WOPDTQHZSA-N 307.350 -0.980 30 20 DBED N#Cc1cncc(S(=O)(=O)NC(=O)Cn2ccccc2=O)c1 813980854 NIGZZXITIZCHDD-UHFFFAOYSA-N 318.314 -0.380 30 20 DBED C=CCCC(=O)COC(=O)[C@H]1CCCN(S(N)(=O)=O)C1 815261857 CYQSWVTXCXASNN-JTQLQIEISA-N 304.368 -0.020 30 20 DBED C=CCNC(=O)[C@@H](C#N)C(=O)CN(C)C(=O)[C@H](C)n1cccn1 815908479 CGGJLEBHIWLOTH-RYUDHWBXSA-N 317.349 -0.086 30 20 DBED CCC1(CC)C(=O)NCCC1=NNC(=S)NCC(=O)NC 819807908 MVUXXDGVSBWGOR-UHFFFAOYSA-N 313.427 -0.121 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)NCCn1ccnc1C 827673743 FILVEPMTZFSBEW-UHFFFAOYSA-N 306.366 -0.194 30 20 DBED N#C[C@H]1CNC[C@@H]1NC(=O)CNC(=O)c1ccc(F)cc1F 834516675 KOHVKCMBOKHAEU-UFBFGSQYSA-N 308.288 -0.078 30 20 DBED C=CCn1cc(C(=O)OCCn2cc(C(=O)OC)nn2)nn1 842778034 DJVSPZTYXDMXQP-UHFFFAOYSA-N 306.282 -0.301 30 20 DBED C=C(C)CN(CC)C(=O)COC(=O)Cn1nc(C)n(C)c1=O 848846740 IUOGVCCDAJOZLW-UHFFFAOYSA-N 310.354 -0.142 30 20 DBED C#CCNS(=O)(=O)N1CCN(Cc2ccc(CO)o2)CC1 895916014 SMFHSQJHQFUPQP-UHFFFAOYSA-N 313.379 -0.643 30 20 DBED C#CCN1CCC[C@H](NC(=O)[C@H]2C[C@H](OC)CN2C(C)=O)C1 923560437 AUCGYVSBODNNDA-SOUVJXGZSA-N 307.394 -0.164 30 20 DBED O=C(NCC#CCO)NC[C@@]1(O)CCN(Cc2ccccc2)C1 923779142 LNLAEEMISBTCIM-KRWDZBQOSA-N 317.389 -0.082 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)C2(C(C)C)COC2)CC1 932038984 PSXLOWMQGITSDM-UHFFFAOYSA-N 321.421 -0.057 30 20 DBED Cn1cc(C(=O)N[C@H]2CCN(C(=O)C#CC3CC3)C2)nc1O 938650161 SUOFWUPRCWNDFR-NSHDSACASA-N 302.334 -0.130 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](N(C)C(=O)CN2CCOCC2=O)C1 939406058 KOOYEIVZIOGGHQ-NWDGAFQWSA-N 322.365 -0.936 30 20 DBED CCn1nc(C(=O)N[C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)ccc1=O 942143084 HFTWJNPSQMJTID-WDEREUQCSA-N 317.349 -0.246 30 20 DBED O=C1NC[C@@H](C(=O)N[C@@H]2CCCCN(C(=O)C#CC3CC3)C2)N1 943488532 RSXTWYIMYHXOOJ-OLZOCXBDSA-N 318.377 -0.422 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(NC(=O)C[C@H]2CC(=O)NC2=O)CC1 948109650 JLHDSBKGSWPYBV-UWVGGRQHSA-N 320.349 -0.694 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H]2CCN2C(=O)[C@H]2CCC(=O)N2)c1 949283862 SGTAGZSRHZAKJB-GHMZBOCLSA-N 315.333 -0.504 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1cnnn1C 952173199 OSTUXLKHOGUHFQ-WZRBSPASSA-N 319.365 -0.263 30 20 DBED C[C@H](C#N)C(=O)N1CC(N(C)C(=O)[C@H]2CCS(=O)(=O)C2)C1 954756307 UUAPCNKOEGSNNB-ZJUUUORDSA-N 313.379 -0.750 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCCCN1C(=O)C(N)=O 964569740 YJQHNDZZUDADKG-OLZOCXBDSA-N 320.393 -0.933 30 20 DBED O=C1NC[C@H](C(=O)N[C@@H]2CCCN(C(=O)C#CC3CC3)CC2)N1 965142142 LYERTCXQRPEPTH-CHWSQXEVSA-N 318.377 -0.422 30 20 DBED C[C@H]1CCN(CC#N)C[C@@H]1NC(=O)CN1C(=O)NC(C)(C)C1=O 968613725 FMHFZLPRGSETPN-QWRGUYRKSA-N 321.381 -0.333 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@@H](NCC(=O)N2CCNC(=O)C2)C1 969586689 MPXJOAFTROVMDZ-GFCCVEGCSA-N 322.409 -0.653 30 20 DBED Cn1cnc(C(=O)N[C@H]2C[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)n1 974045504 WFDDEPSOUCJLJZ-AOOOYVTPSA-N 313.321 -0.294 30 20 DBED Cc1cncn1CC(=O)N[C@H]1[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]21 976849285 XGXWHYQIIWUELK-PQFRYHKHSA-N 301.350 -0.076 30 20 DBED C=C(C)CN1C[C@H](NC(=O)CN2C(=O)CNC2=O)C(C)(C)C1 977577646 OGSQRQJUDCREEP-NSHDSACASA-N 308.382 -0.059 30 20 DBED C#CCN[C@@H]1CCC[C@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)C1 981439171 AUJYQPMTUZPCNQ-NEPJUHHUSA-N 320.393 -0.033 30 20 DBED C=CCn1cc(C(=O)N2CC(NC(=O)C[C@H]3CCCO3)C2)nn1 990310591 VKFUTSYOVAYGPP-GFCCVEGCSA-N 319.365 -0.026 30 20 DBED Cn1oc(C(=O)NC2CN(C(=O)c3c[nH]c(C#N)c3)C2)cc1=O 991038532 JLBUEEAOXXAEGA-UHFFFAOYSA-N 315.289 -0.568 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@@H](NC(=O)c2nc[nH]n2)[C@@H](O)C1 991668256 VGNFFQLXLRGVOI-ZJUUUORDSA-N 307.354 -0.292 30 20 DBED C=CCn1cc(C(=O)NC2CN(C(=O)c3cnc(C)[nH]3)C2)nn1 991673196 KFTYDSVMTBLMLH-UHFFFAOYSA-N 315.337 -0.250 30 20 DBED C=CCCn1cc(C(=O)N[C@H]2CCCN(CC(N)=O)[C@H]2C)nn1 993991608 VDBIBEKHRFANIS-RYUDHWBXSA-N 320.397 -0.078 30 20 DBED CC(=O)N1CCOC[C@@H]1C(=O)N1C[C@H](NCC#N)C(C)(C)C1 996640964 CWPGZHGIUHBRLE-OLZOCXBDSA-N 308.382 -0.416 30 20 DBED O=C1CC[C@@H](C(=O)NCC2CN(C(=O)C#CC3CC3)C2)CN1 1003079437 VPXZMVHOFPVZEO-CYBMUJFWSA-N 303.362 -0.499 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(C(=O)c2cnn[nH]2)CC1 1011448478 LEZAHHBSRUQLNH-PWSUYJOCSA-N 305.338 -0.320 30 20 DBED C=CCn1cc(C(=O)N[C@H]2C[C@@H](C)N(C(=O)COC)C2)nn1 1012181228 USQCPLCEWPZWQM-MNOVXSKESA-N 307.354 -0.170 30 20 DBED C#Cc1cncc(C(=O)NC[C@H]2CC[C@H](NC(=O)C(N)=O)C2)c1 1015552285 PDGAHXNPFVHBGJ-AAEUAGOBSA-N 314.345 -0.437 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2CCN(Cc3nnn(C)n3)C2)cn1 1016026761 IVQYKISELJTAAD-ZDUSSCGKSA-N 311.349 -0.409 30 20 DBED C[C@H](C#N)C(=O)N1CC=C(CNC(=O)[C@@H]2COC(=O)N2)CC1 1017418981 CKZGMEONGKTPFJ-KOLCDFICSA-N 306.322 -0.471 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCN(C(=O)c3cn(C)c(O)n3)C2)C1 1019362955 JGIJPSCGSQDKNK-JTQLQIEISA-N 317.349 -0.040 30 20 DBED C#CCN1[C@H]2CC[C@H]1CC(NC(=O)CN1C(=O)CN(C)C1=O)C2 1021454431 BZYQHORDQQPSNH-STQMWFEESA-N 318.377 -0.375 30 20 DBED CC1CCN(CC(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2O)CC1 1025290268 DNIRUSDANTZSKU-BFHYXJOUSA-N 322.409 -0.434 30 20 DBED C#CCCN1CCC[C@@H]1CNC(=O)[C@@H]1CCN(C)S1(=O)=O 1028196874 UIIHDAKBCXFNLY-OLZOCXBDSA-N 313.423 -0.376 30 20 DBED CO[C@H]1C[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3CC#N)N(C(C)=O)C1 1032541194 HGGVFFLVKVVCGC-XDQVBPFNSA-N 306.366 -0.569 30 20 DBED N#CCN1CCO[C@H](CNC(=O)c2ccc3nnnn3c2)C1 1035444294 PBJBUVXKGQCQCK-LLVKDONJSA-N 301.310 -0.922 30 20 DBED C#CCCN1CCO[C@H](CNC(=O)c2ccc(C(N)=O)cn2)C1 1035617818 AUYYITIAAHBWKO-CYBMUJFWSA-N 316.361 -0.366 30 20 DBED C=CCN1CC2(CCN(C(=O)Cn3ncn(C)c3=O)CC2)C1 1035737220 UPLBSKFQCYMVQK-UHFFFAOYSA-N 305.382 -0.308 30 20 DBED CC#CCN1CC[C@@H]1CNC(=O)c1nc(C)n(-c2nc[nH]n2)n1 1038561586 ZGKZOYYDRHEZLV-LLVKDONJSA-N 314.353 -0.479 30 20 DBED C[C@H]1[C@@H](N=c2cc[nH]cc2C#N)CCN1C(=O)CS(C)(=O)=O 1040052149 IRCOGKGVICFMET-JQWIXIFHSA-N 322.390 -0.179 30 20 DBED N#Cc1ccc(N2C[C@@H]3CCN(C(=O)Cn4cnnn4)[C@@H]3C2)cn1 1040512282 GIZJJMPKIGDPDI-SMDDNHRTSA-N 324.348 -0.323 30 20 DBED CC(C)N(C)CC(=O)N1CC[C@@](O)(CNC(=O)[C@H](C)C#N)C1 1040765675 KFFQZJLMTSFOAW-IUODEOHRSA-N 310.398 -0.434 30 20 DBED Cc1cnoc1C(=O)NC[C@]1(O)CCN(C(=O)[C@H](C)C#N)C1 1040787604 JHVSMRBZNOSKCA-YMTOWFKASA-N 306.322 -0.164 30 20 DBED N#Cc1cnccc1N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCO2)C1 1040898026 HADCFSQKAUTCAF-MRVWCRGKSA-N 302.334 -0.202 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@]2(CCN(Cc3nc(=O)n(C)[nH]3)C2)C1 1041146367 MHYSZAGBIKORGE-XHDPSFHLSA-N 318.381 -0.308 30 20 DBED CC(=O)N[C@@H](C)C(=O)NCC1(O)CN(C(=O)C#CC(C)(C)C)C1 1041336086 QARLMAILCJAORN-NSHDSACASA-N 323.393 -0.750 30 20 DBED CC(=O)N1CCO[C@@H](C(=O)N2CC[C@]3(CCN(CC#N)C3)C2)C1 1041812508 ZQVWKDKIAHNSSS-ZBFHGGJFSA-N 320.393 -0.318 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)CCCCOC)C1 1042039928 MAYFNFXXPJYKHN-UHFFFAOYSA-N 314.382 -0.305 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)Cc2ccco2)C1 1042047412 PZZBFLCXZUVKIG-UHFFFAOYSA-N 308.334 -0.286 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)C2CC=CC2)C1 1042255986 ZDFYYCVYGJVILP-GFCCVEGCSA-N 306.362 -0.320 30 20 DBED C#CCCCCC(=O)N1CC(O)(CNC(=O)Cc2cc[nH]n2)C1 1042259370 LEOWLOIXRVYVPW-UHFFFAOYSA-N 318.377 -0.165 30 20 DBED C#CCN1CC[C@@H]2CCN(C(=O)c3cn(C)c(=O)n3C)C[C@@H]21 1042371904 WLTFZIHLBGGEBZ-OLZOCXBDSA-N 302.378 -0.107 30 20 DBED CN1CC[C@@H](C(=O)NCC2(O)CN(C(=O)C#CC(C)(C)C)C2)C1 1043116792 QOTIIDPIGLUUGD-CYBMUJFWSA-N 321.421 -0.323 30 20 DBED C=CC(C)(C)CC(=O)NCC1(O)CN(C(=O)C2(C(N)=O)CC2)C1 1043207086 MGGDEUBJLLRXJD-UHFFFAOYSA-N 323.393 -0.456 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2nc(C)c[nH]2)C1 1043226733 YQLJDCYNTCBQKM-NSHDSACASA-N 322.365 -0.388 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]3C=C[C@H]2O3)C1 1043616417 GRHMZYBIONAUMM-JHJVBQTASA-N 306.362 -0.014 30 20 DBED CN1CCC[C@@H]1C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@@H]1O 1043876605 XITLTCVBXXUWBO-UPJWGTAASA-N 316.365 -0.892 30 20 DBED C=CCCCC(=O)N1CC(O)(CNC(=O)c2[nH]nnc2C)C1 1044370617 KBJGDDSROONYEA-UHFFFAOYSA-N 307.354 -0.227 30 20 DBED C=C(C)C[C@@H](C)C(=O)NCC1(O)CN(C(=O)CNC(C)=O)C1 1045055520 UEHMMGXGCRMRAW-LLVKDONJSA-N 311.382 -0.586 30 20 DBED CC(C)CO[C@H](C)C(=O)N1CC(O)(CNC(=O)[C@H](C)C#N)C1 1045539995 BWXABEOQCKFAMD-VXGBXAGGSA-N 311.382 -0.103 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)[C@]2(C)CCCOC2)C1 1045546023 GUPSRFPDEJMLBO-SMDDNHRTSA-N 309.366 -0.348 30 20 DBED N#Cc1ccc(N[C@H]2C[C@H](CNC(=O)[C@H]3CCNC3=O)C2)nn1 1046982745 QZHKSAZHTHNRHN-DLOVCJGASA-N 314.349 -0.209 30 20 DBED C=CCCC(=O)N(C)[C@H]1CN(C(=O)c2nnn(C)c2C)C[C@@H]1O 1048510980 ZBQZINXWGXUCSE-RYUDHWBXSA-N 321.381 -0.267 30 20 DBED C#CCOCCC(=O)N[C@H](C)[C@H]1CCN(C(=O)CNC(N)=O)C1 1049990548 OTEWQWZUYQPVQK-NEPJUHHUSA-N 324.381 -0.952 30 20 DBED N#CCN1CC2(C1)CN(C(=O)c1cnn3c1CCC3)CCO2 1053281184 SLFJGYZOWANSCM-UHFFFAOYSA-N 301.350 -0.120 30 20 DBED C=CCCN1CC2(C1)CN(C(=O)[C@@H]1CC(=O)NC(=O)N1)CCO2 1053451034 UAAFXMMYPVEITE-NSHDSACASA-N 322.365 -0.926 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)[C@H](C)n3cncn3)CO2)C1 1053782029 BIIUAGQJIMKHAF-STQMWFEESA-N 303.366 -0.178 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)C(=O)N3CCC[C@@H](C)C3)CO2)C1 1053948839 RWFHYRRUGBWLOW-KGLIPLIRSA-N 319.405 -0.162 30 20 DBED C[C@@H]1CN(C(=O)CCc2nnc(O)nc2O)C[C@@H]1NCC#N 1054848407 XCSIATVGTDZTPC-SCZZXKLOSA-N 306.326 -0.825 30 20 DBED N#Cc1cnc(N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)C(N)=O)c(F)c1 1055437711 JCSAYXJXWMSWDV-IEBDPFPHSA-N 303.297 -0.196 30 20 DBED N#Cc1cncc(N2CCN(C(=O)CCn3ccnn3)CC2)n1 1055783535 UJHIPYQBZXPJBO-UHFFFAOYSA-N 312.337 -0.321 30 20 DBED N#Cc1ccc(N2C[C@H]3C(NC(=O)[C@H]4CCC(=O)N4)[C@@H]3C2)nn1 1056147770 QYUGUOISDMVVEY-GMTAPVOTSA-N 312.333 -0.822 30 20 DBED N#Cc1nc(=N[C@@H]2CCN(C(=O)[C@@H]3CCCNC3=O)C2)cc[nH]1 1056721550 UEWRGBKDRUUBNW-GHMZBOCLSA-N 314.349 -0.691 30 20 DBED C=C(C)C[C@@H](C)C(=O)NCCN(CCO)C(=O)c1cnnn1C 1057474640 RPYXMJGISZYWHE-GFCCVEGCSA-N 323.397 -0.032 30 20 DBED C#CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)C[C@H](C)OC 1057583576 UCIBEQNNTVGTJC-STQMWFEESA-N 314.382 -0.613 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)[C@H](C1CC1)N(C)C 1057876070 AIFFZLQAGXUYJT-INIZCTEOSA-N 323.437 -0.077 30 20 DBED CC#CCCCC(=O)NCCN(CCO)C(=O)c1cnn[nH]1 1058060128 NCZMYDFGMPCPPN-UHFFFAOYSA-N 307.354 -0.451 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)c1cn(C)ccc1=O 1058210853 DQSVWSRUVCDNJH-UHFFFAOYSA-N 321.377 -0.098 30 20 DBED Cc1nn[nH]c1C(=O)N(CCO)CCNC(=O)C#CC(C)(C)C 1058274916 JWGRUBBZCIIUTR-UHFFFAOYSA-N 321.381 -0.287 30 20 DBED C=C[C@H](CC)CC(=O)N(CCO)CCNC(=O)c1nnn(C)n1 1058472221 OLHXZQXCCRGIFB-LLVKDONJSA-N 324.385 -0.637 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)c1ccncc1F 1058652610 BCYRQQSXQDVGQZ-JTQLQIEISA-N 308.313 -0.069 30 20 DBED Cc1cc(CC(=O)NCCN(CCO)C(=O)[C@@H](C)C#N)no1 1058653141 NJGKOIBFHDHOLT-JTQLQIEISA-N 308.338 -0.378 30 20 DBED CCOCC1(C(=O)NCCN(CCO)C(=O)[C@H](C)C#N)CC1 1058659016 QPFTUCOTMSMQMK-GFCCVEGCSA-N 311.382 -0.100 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H]1CCN(C(=O)CCOC)C1 1058962750 MJYJWOXQMCTRCP-ZDUSSCGKSA-N 323.393 -0.483 30 20 DBED Cn1c(C(=O)N2CC[C@H](N=c3cc[nH]c(C#N)n3)C2)cnc1O 1059019724 FZUOPJJKBCBWBI-VIFPVBQESA-N 313.321 -0.464 30 20 DBED Cc1cc(=N[C@H]2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)c(C#N)c[nH]1 1059067002 MYRWAFWBWSNOEW-XQQFMLRXSA-N 313.361 -0.182 30 20 DBED N#Cc1ccc(NC[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)C2)nn1 1060972405 JYESOHYIZVZMRD-ONGXEEELSA-N 315.337 -0.710 30 20 DBED C=CCOCC(=O)N1CCOC[C@@H]1CNC(=O)Cn1ccnc1 1061682318 IMEMFHGYKMCLDP-ZDUSSCGKSA-N 322.365 -0.571 30 20 DBED C#CCOCCC(=O)N1CCO[C@@H](CNC(=O)COCC=C)C1 1065150209 NPLYGXITHJKWAY-AWEZNQCLSA-N 324.377 -0.428 30 20 DBED C=C(C)CCC(=O)NC[C@@H]1CN(C(=O)Cn2ncnn2)CCO1 1065182964 OFORHGBXTJBSRM-GFCCVEGCSA-N 322.369 -0.627 30 20 DBED C=C1CC(C)(C(=O)N2CCO[C@@H](CNC(=O)CC(N)=O)C2)C1 1065594869 ANTDXANIPFHYGZ-NSHDSACASA-N 309.366 -0.438 30 20 DBED CC(=O)NCC(=O)N(C)CCCN(C)C(=O)CSCC#N 1066659694 DMVYFZJWANMANM-UHFFFAOYSA-N 314.411 -0.314 30 20 DBED C#CCOCCC(=O)N1CC2(CN(C(=O)COCC)CCO2)C1 1068289302 OQSFPSNLZSWAQV-UHFFFAOYSA-N 324.377 -0.497 30 20 DBED C#CCOCCC(=O)N1CC2(C[C@@H](NC(=O)[C@H](C)OC)CO2)C1 1068733845 YYJHHGYRSUGZQV-QWHCGFSZSA-N 324.377 -0.453 30 20 DBED C=CCCCC(=O)N[C@H]1COC2(C1)CN(C(=O)CC(=O)NC)C2 1068995378 ZHQIEPMTCBJWGD-GFCCVEGCSA-N 323.393 -0.035 30 20 DBED C#CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H]2CCN(C)C2)C1 1070097487 VSWMAUDERKGVEH-ZNMIVQPWSA-N 316.409 -0.405 30 20 DBED C#CCN[C@@H]1CN(C(=O)Cc2cncnc2)C[C@H]1c1cncn1C 1070642934 CCNVUACCNINHAC-HUUCEWRRSA-N 324.388 -0.030 30 20 DBED C=CCN1C[C@H]2C[C@H]3CN(C(=O)[C@@H]4CNC(=O)N4)C[C@@]3(C1)O2 1070844706 KGJPMNVNPQDKCU-OZTPJHRESA-N 306.366 -0.845 30 20 DBED C=C(C)CN1C[C@H]2C[C@H]3CN(C(=O)[C@H]4C[C@H]4C(N)=O)C[C@@]3(C1)O2 1070855310 ITEAIBOWQHFFPF-GMIGGYDBSA-N 319.405 -0.014 30 20 DBED CC#CCN1C[C@H]2C[C@H]3CN(C(=O)Cn4cncn4)C[C@@]3(C1)O2 1070887138 CVIHEJKESWRGFT-SQWLQELKSA-N 315.377 -0.397 30 20 DBED C#CCCN1C[C@@H](NC(=O)Cn2ccc(O)nc2=O)CC[C@H]1C 1071660660 ZTJUELBIPTZRFJ-OLZOCXBDSA-N 318.377 -0.059 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)COCCOC)C[C@H]1C 1071818996 LHIDTTFSUHIRIR-CHWSQXEVSA-N 314.382 -0.185 30 20 DBED CNC(=O)NCC(=O)N1C[C@@H](C)[C@@H](NC(=O)C#CC(C)(C)C)C1 1072268661 QPIPYLXLIZRZLE-NEPJUHHUSA-N 322.409 -0.072 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(C(=O)CCN(C)C)C[C@H]1C 1072680021 QFFZGAVNEWPBLJ-ZIAGYGMSSA-N 309.410 -0.059 30 20 DBED CS(=O)(=O)CCN1CCC2(C1)CN(C(=O)C#CC1CC1)C2 1072718866 QRLCYWRITHVKGL-UHFFFAOYSA-N 310.419 -0.021 30 20 DBED N#CCN1CCC2(C1)CN(C(=O)[C@H]1CN3CCC[C@H]3CO1)C2 1072760937 VPWPZRGSFKFGRN-UONOGXRCSA-N 304.394 -0.093 30 20 DBED COCCN1C[C@@H](C(=O)N2CC3(CCN(CC#N)C3)C2)CC1=O 1072797282 RMWLHIWEMYIHJR-ZDUSSCGKSA-N 320.393 -0.461 30 20 DBED CC1(C)C(=O)NC(=O)N1CC(=O)N1CC2(CCN(CC#N)C2)C1 1073103867 QPBBTHUGEZIKLT-UHFFFAOYSA-N 319.365 -0.625 30 20 DBED C#CCCN1CCO[C@H]2CCN(C(=O)Cn3cncn3)C[C@H]21 1074400950 XKDLAZDFISOMPL-KGLIPLIRSA-N 303.366 -0.397 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(O)(CNC(=O)c2cccnn2)CC1 1074705233 PDZKTYUWCAERFL-NSHDSACASA-N 317.349 -0.280 30 20 DBED C[C@@H](CCNC(=O)c1cc(C#N)c[nH]1)NC(=O)[C@@H]1CCNC1=O 1076074366 YKQLJEGGMVEDEE-GXSJLCMTSA-N 317.349 -0.353 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H](C)CCNC(=O)c1cnn(C)c1N 1076238262 APSJNHVWIBFPOL-BONVTDFDSA-N 323.397 -0.046 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3nc(C)nn3C2)C1 1077430333 IIVMOJNERPCOPL-BFHYXJOUSA-N 319.409 -0.114 30 20 DBED Cn1c(O)ncc(C(=O)N[C@H]2C[C@H](NCC#N)C23CCC3)c1=O 1078697677 GGPNXDVBBYRJTM-QWRGUYRKSA-N 317.349 -0.360 30 20 DBED C=C[C@@](C)(O)CC(=O)N(CC)C1CN(C(=O)c2cn(C)nn2)C1 1079684828 SCJUNRWGOKXASD-OAHLLOKOSA-N 321.381 -0.185 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(N(CC)C(=O)c2nc[nH]n2)C1 1080249726 XYAUXCZBLRWOCK-AWEZNQCLSA-N 307.354 -0.195 30 20 DBED C#CCCCC(=O)N1CC(N(CC)C(=O)[C@H]2CNC(=O)N2)C1 1080385459 VJNGMYQBLZEXPV-GFCCVEGCSA-N 306.366 -0.469 30 20 DBED Cc1c[nH]c(C(=O)N2C[C@H](O)[C@H](CNC(=O)C#CC3CC3)C2)n1 1081474543 RPALAYFBWMGTQD-OLZOCXBDSA-N 316.361 -0.319 30 20 DBED CCN(CC)CC(=O)NC[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1081505702 JHYLOYUXGGQMBB-LSDHHAIUSA-N 321.421 -0.323 30 20 DBED C=CCCOCC(=O)NC[C@@H]1CN(C(=O)c2cnon2)C[C@@H]1O 1081569995 WNYUOZSSWYKQKR-PWSUYJOCSA-N 324.337 -0.789 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cnco2)C1 1081623219 INNTZDYPXKKAHL-WDEREUQCSA-N 309.322 -0.574 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2ccncn2)C1 1081679077 FVNWCZKLXSUVRQ-OCCSQVGLSA-N 316.361 -0.171 30 20 DBED C#CCN1C[C@@H](NC(=O)c2ccc(CNC(C)=O)o2)[C@H](OC)C1 1082243865 UUEMMLMVZGCVNA-UKRRQHHQSA-N 319.361 -0.022 30 20 DBED C#Cc1ccc(C(=O)N2CCO[C@@H]3CN(CCO)C[C@@H]32)cn1 1083253215 CKBONNSCMMAENZ-LSDHHAIUSA-N 301.346 -0.420 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCc3nnc(C)n3C2)C1 1084084016 BOSCHWFZAWTBSY-MCIONIFRSA-N 319.409 -0.114 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2nc(C)c(C)[nH]c2=O)[C@H](O)C1 1090356802 YYBVAHXWLZVBJX-QWHCGFSZSA-N 318.377 -0.425 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2c(C)c(C)nn(C)c2=O)[C@@H](O)C1 1090478638 HJTPAVQJZHMQIT-OLZOCXBDSA-N 318.377 -0.805 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2ccn3nnnc3c2)[C@H](O)C1 1090484549 BJJZTNJCXQSZLJ-QWHCGFSZSA-N 314.349 -0.687 30 20 DBED C=C(C)CCN1CC[C@H](NC(=O)CN2CC(=O)NC2=O)[C@@H](O)C1 1090654781 LKVADBMBMULNAP-RYUDHWBXSA-N 324.381 -0.944 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(c2cc(F)ncn2)C[C@@H]1O 1091150662 UCKPQVDNUNBIQI-MNOVXSKESA-N 308.313 -0.679 30 20 DBED C#CCNC(=O)CC(=O)N1CCN(c2ccnc(C#N)n2)CC1 1093148233 AJEZIIIKRGOCNK-UHFFFAOYSA-N 312.333 -0.864 30 20 DBED N#Cc1cnccc1N1CCN(C(=O)C(=O)NCC(F)F)CC1 1093185179 APQXIYUQPSEDJK-UHFFFAOYSA-N 323.303 -0.017 30 20 DBED C[C@@H](CN1CCOCC1)C(=O)NCCN=c1cc[nH]cc1C#N 1093643707 USABQFIMZPAYBA-ZDUSSCGKSA-N 317.393 -0.128 30 20 DBED N#Cc1ccc(NCCNC(=O)[C@H]2CCCS2(=O)=O)nn1 1093670147 PWZVWYFUIJNDAL-SNVBAGLBSA-N 309.351 -0.546 30 20 DBED Cc1cc(CC(=O)N[C@@H]2CC(=O)N(C3CN(CC#N)C3)C2)no1 1094714600 YPNOUWIBWNRMHD-GFCCVEGCSA-N 317.349 -0.550 30 20 DBED CN1C[C@@H](C(=O)NCCCNc2cncc(C#N)n2)CC1=O 1094845258 AABAPTXHUMMQBI-JTQLQIEISA-N 302.338 -0.255 30 20 DBED N#Cc1cnc(N2CCCN(C(=O)CNC(N)=O)CC2)c(F)c1 1095164270 OIKXMKBGEVIQSU-UHFFFAOYSA-N 320.328 -0.201 30 20 DBED CN(CCCNC(=O)Cn1cnnn1)c1ccc(C#N)nc1 1095485391 SISFJMTXUSHCCG-UHFFFAOYSA-N 300.326 -0.418 30 20 DBED CCNC(=O)CC(=O)N[C@H]1CCN(c2nccnc2C#N)C1 1096360319 LMUCPRMUFIWFIG-JTQLQIEISA-N 302.338 -0.431 30 20 DBED Cc1cc(C#N)nc(N[C@@H](C)CNC(=O)[C@H]2COCCO2)n1 1097676930 WGEVWQIBBYSBME-CMPLNLGQSA-N 305.338 -0.011 30 20 DBED C[C@H](CNC(=O)[C@@H]1CC(=O)N(C)C1)Nc1ccc(C#N)nn1 1098346583 RQSXTYAUIGXRQQ-NXEZZACHSA-N 302.338 -0.257 30 20 DBED COc1cncc(C(=O)N2CCC(N(CC#N)CCO)CC2)n1 1098492805 GGWFYENOENEISS-UHFFFAOYSA-N 319.365 -0.092 30 20 DBED N#CCN(CCO)C1CCN(C(=O)CCN2CCOCC2)CC1 1098500060 MYJVVZUSIIBZIC-UHFFFAOYSA-N 324.425 -0.482 30 20 DBED C[C@@H](CCNC(=O)[C@@H]1CCC(=O)N1)Nc1cncc(C#N)n1 1099362466 XYJAMWMOCLKSKE-ONGXEEELSA-N 302.338 -0.066 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)Cc2cncnc2)[C@H](O)C1 1099796359 BNMXUYLRPLMPNA-LSDHHAIUSA-N 320.393 -0.227 30 20 DBED CCn1ccnc1C(=O)N[C@H]1CCN(CC#CCOC)C[C@@H]1O 1099796920 LBKNDHXDAWJQLT-KBPBESRZSA-N 320.393 -0.282 30 20 DBED CC(C)C(C)(C)C(=O)N[C@H]1CCN(CC(=O)NCC#N)C[C@@H]1O 1099853261 MZGFPHCXUZVXNA-STQMWFEESA-N 324.425 -0.140 30 20 DBED CCn1cnc(C(=O)N[C@@H]2CCN(CC#CCOC)C[C@@H]2O)c1 1100074512 OTSYZVIXAQVDRH-HIFRSBDPSA-N 320.393 -0.282 30 20 DBED C#CCN1CC[C@H](NC(=O)CCC(=O)N(CC)CC)[C@H](O)C1 1100122754 WGJHANIEQXFUPC-UONOGXRCSA-N 309.410 -0.180 30 20 DBED C#CCN1CC[C@H](NC(=O)C(C)(C)NC(=O)NCCC)[C@H](O)C1 1100126840 NSQMGZQAKMTQLE-QWHCGFSZSA-N 324.425 -0.341 30 20 DBED CCc1nc(C#N)cc(N(C)CCNC(=O)CC(=O)N(C)C)n1 1100352677 LTPHRTJIRRXVLF-UHFFFAOYSA-N 318.381 -0.059 30 20 DBED CCN(CCNC(=O)Cn1cnnn1)c1nc(C)cc(C#N)n1 1100439885 ZAQVKEFRMMEHFT-UHFFFAOYSA-N 315.341 -0.714 30 20 DBED CCN(CCNC(=O)[C@H]1CCCC(=O)N1)c1ccnc(C#N)n1 1100642191 MXKSTVZKNSOMQS-LLVKDONJSA-N 316.365 -0.041 30 20 DBED C#CCNC1CC(CNC(=O)CN(C)S(=O)(=O)CC)C1 1100812500 PEYJXIITJQEPSU-UHFFFAOYSA-N 301.412 -0.615 30 20 DBED N#Cc1cncc(N2CCC[C@H]2CNC(=O)CCNC(N)=O)n1 1100833127 IZDIHSQUXFNJIT-NSHDSACASA-N 317.353 -0.508 30 20 DBED C[C@H](NC(N)=O)C(=O)NCCN(c1cncc(C#N)n1)C1CC1 1101327624 ZLYJHRNNIVBBQF-VIFPVBQESA-N 317.353 -0.510 30 20 DBED CCN1CCOC[C@H]1C(=O)N(C)CCNc1cnc(C#N)cn1 1101837142 JEUUHFOCVTUXIN-ZDUSSCGKSA-N 318.381 -0.061 30 20 DBED CN(CCNc1cnc(C#N)cn1)C(=O)[C@H]1CCC(=O)N1C 1101914420 DKQHNFYMNIZRCI-LLVKDONJSA-N 302.338 -0.161 30 20 DBED CNC(=O)NCC(=O)N(C)[C@@H]1CCN(c2cncc(C#N)n2)C1 1102766972 OYVINVQDHDKRKL-LLVKDONJSA-N 317.353 -0.686 30 20 DBED CC[C@H](CNC(=O)c1ncn(C)n1)N=c1cc[nH]c(C#N)n1 1103063829 AWSSEWHKBXCQDK-SECBINFHSA-N 300.326 -0.481 30 20 DBED C[C@H](CN=c1cc[nH]cc1C#N)CNC(=O)[C@@H]1CCC(=O)N1 1104034934 QQERGSIZBBHFGV-MFKMUULPSA-N 301.350 -0.182 30 20 DBED C[C@H]1COCC[C@@H]1C(=O)N1CC(n2cc(CNCC#N)nn2)C1 1105322680 ZPPAGSGNIKKUFA-FZMZJTMJSA-N 318.381 -0.053 30 20 DBED C=CCNCc1cn(C2CN(C(=O)[C@H](CC)NC(C)=O)C2)nn1 1105333971 SGCFEVDRVXPYLT-AWEZNQCLSA-N 320.397 -0.148 30 20 DBED C#CCCN[C@@H]1C[C@]2(C[C@H]1O)CN(C(=O)CC(N)=O)[C@H]2C(C)C 1105610590 LHRNWQKEZBQGID-OMNBBPDLSA-N 321.421 -0.149 30 20 DBED C[C@@H]1CN(C(=O)C2CCOCC2)C[C@H]1CNCC(=O)NCC#N 1105753108 JOMSQKKZKOOQLS-TZMCWYRMSA-N 322.409 -0.263 30 20 DBED COCCOCC(=O)NC[C@H](O)CNc1ccc(C#N)cn1 1105773079 BZQIXMDFTMQQJW-GFCCVEGCSA-N 308.338 -0.495 30 20 DBED Cc1nc(C)c(C(=O)NC[C@H](O)CN=c2cc[nH]c(C#N)n2)[nH]1 1106110354 ODRKOWGCIGHKEJ-SNVBAGLBSA-N 315.337 -0.687 30 20 DBED C=CCn1cc(C(=O)NC[C@@H](O)CNc2cc(C)ncn2)nn1 1106131780 JZHYWAHCFRGJGX-NSHDSACASA-N 317.353 -0.235 30 20 DBED C[C@@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)[C@@H]1CCC(=O)N1C 1106534690 GUHYWIJQSQAEHJ-QWRGUYRKSA-N 316.365 -0.302 30 20 DBED CCN(CCNc1ccc(C#N)nn1)C(=O)CS(C)(=O)=O 1106686471 QCIJWCXRSRAOGX-UHFFFAOYSA-N 311.367 -0.347 30 20 DBED CCOCC(=O)NCc1cn(C2CN(CC#CCOC)C2)nn1 1107123383 JUDACBBJTJTQKH-UHFFFAOYSA-N 321.381 -0.563 30 20 DBED CC[C@H](C(N)=O)N1CC(n2cc(CNC(=O)[C@@H](C)C#N)nn2)C1 1107149709 OIGBMIAUPWZUDY-JOYOIKCWSA-N 319.369 -0.825 30 20 DBED N#Cc1ccc(NC/C=C/CNC(=O)C[C@H]2CCNC2=O)nn1 1107375644 VBWUIXJYIQOEMF-FMBMQGQPSA-N 314.349 -0.041 30 20 DBED N#Cc1ccc(NC/C=C\CNC(=O)C[C@H]2CCNC2=O)nn1 1107375646 VBWUIXJYIQOEMF-RFMOXSJOSA-N 314.349 -0.041 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)c2ccc3nn[nH]c3n2)C1 1107984686 ADNOVQWFRRBSQV-OAHLLOKOSA-N 314.349 -0.193 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)[C@H]2CCCS2(=O)=O)C1 1108408444 GGNJBFFNAAKVSM-TZMCWYRMSA-N 314.407 -0.596 30 20 DBED C[C@@]1(CNC(=O)[C@@H]2CCCN2C(N)=O)CN(CC#N)CCO1 1108439787 UMNLNLIABLPBNR-SMDDNHRTSA-N 309.370 -0.740 30 20 DBED C=C(C)CCC(=O)N[C@@H]1CC(=O)N(C2CN([C@@H](C)C(N)=O)C2)C1 1108548623 SCPIRVMTWHLOKK-NWDGAFQWSA-N 322.409 -0.382 30 20 DBED C[C@@H](CNc1cncc(C#N)n1)NC(=O)[C@H]1CCN(C)C1=O 1108647574 XAOQXUGWUYSYIH-GXSJLCMTSA-N 302.338 -0.257 30 20 DBED COCC(=O)NCCC(=O)N[C@@H](C)CNc1nccnc1C#N 1108747653 CIEJZEZVTUBFBD-JTQLQIEISA-N 320.353 -0.582 30 20 DBED N#Cc1ccc(NC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C2CC2)nc1 1109960262 LDLRXGQTFCCYHO-NEPJUHHUSA-N 314.349 -0.059 30 20 DBED N#Cc1cncc(N2CC[C@](O)(CNC(=O)[C@@H]3CCOC3)C2)n1 1111043222 AEWJGXVJKWSHMU-ABAIWWIYSA-N 317.349 -0.558 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNc1ncnc2c1cnn2C 1111436212 WEANDDTZGAKSIT-JTQLQIEISA-N 317.353 -0.244 30 20 DBED Cn1ccc(C(=O)N(CCO)CCN=c2cc[nH]c(C#N)n2)c1 1111456049 PBSOTQODPGUIOR-UHFFFAOYSA-N 314.349 -0.345 30 20 DBED CCOCCC(=O)NC[C@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1112701651 JJXWJQLYGBIGPE-RYUDHWBXSA-N 319.365 -0.312 30 20 DBED C#CCNC(=O)CC(=O)N1CCN([C@H](CCCC)C(N)=O)CC1 1112778983 ABUOIOMFVVFJPT-CYBMUJFWSA-N 322.409 -0.686 30 20 DBED Cc1ncccc1C(=O)N1CCN(CC(=O)NCC#N)CC1 1113271004 DCSQAGNJZWBQQA-UHFFFAOYSA-N 301.350 -0.212 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)c2c(C)n[nH]c2C)CC1 1113435726 YIWJJHGGYLEYAO-ZDUSSCGKSA-N 317.393 -0.078 30 20 DBED COCC#CCN1CCN(C(=O)[C@H]2CCc3nn[nH]c3C2)CC1 1113532895 KHMYSYFKZIWJSU-ZDUSSCGKSA-N 317.393 -0.296 30 20 DBED CCn1cnc(C(=O)N2CCN(CC(=O)NCC#N)CC2)c1 1113545142 AUHKBJNKLKTZMU-UHFFFAOYSA-N 304.354 -0.699 30 20 DBED C[C@H](CNC(=O)COCCN(C)C)N(C)c1cncc(C#N)n1 1113659349 SWTNQRLGHRHKHL-GFCCVEGCSA-N 320.397 -0.133 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCNC1=O)N(C)c1cncc(C#N)n1 1113802779 UMUAJNDFTRNREA-ONGXEEELSA-N 302.338 -0.575 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)c3ccc[nH]3)[C@H]2C1 1113854304 FTYSKNOQOYDCHE-NMKXLXIOSA-N 300.362 -0.187 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3cccn3C)[C@H]2C1 1113860539 NJXMBMCQIIIPQW-JYAVWHMHSA-N 300.362 -0.566 30 20 DBED Cn1ncc(CN2C[C@H]3[C@H](NC(=O)CSCC#N)[C@H]3C2)n1 1113891513 TVQZNHUMZHPRDA-PJXYFTJBSA-N 306.395 -0.382 30 20 DBED N#CCNC(=O)CN1C[C@H]2C(NC(=O)[C@H]3CCCOC3)[C@@H]2C1 1114028230 POAJIHZUTGGOHQ-QJPTWQEYSA-N 306.366 -0.901 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3ncoc3CC)[C@H]2C1 1114086351 VQHGBHLYGYWUOG-QWRGUYRKSA-N 316.361 -0.354 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1[C@@H]2CN(C[C@H]3CCCCO3)C[C@@H]21 1114160529 ZQENWIMPGGBZGQ-WVZRYYJFSA-N 319.405 -0.259 30 20 DBED CC(C)C#CC(=O)NC1[C@H]2CN(CCN3CCNC3=O)C[C@H]12 1114247490 LOLNGTZSTDKNLK-STQMWFEESA-N 304.394 -0.283 30 20 DBED C#CCOCCC(=O)NC1[C@@H]2CN(CC(=O)N[C@H](C)CC)C[C@@H]12 1114265976 KKVINCGJDYXTEV-MGPQQGTHSA-N 321.421 -0.013 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H]1[C@@H]2CN(CCN3CCNC3=O)C[C@@H]21 1114270869 LZTWGLHDPJMNRD-MQYQWHSLSA-N 320.393 -0.904 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3ccnc(C)n3)[C@H]2C1 1115248026 PIOFZTKIOXSGTI-JYAVWHMHSA-N 315.377 -0.253 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)C(=O)N2CC[C@@H](CCCO)C2)C1 1118250796 XKKGLIOIBMKOPT-IUODEOHRSA-N 309.366 -0.516 30 20 DBED N#Cc1cncc(N[C@H](CO)CNC(=O)Cc2ccon2)n1 1121258189 PDDLQJCLQNTGSB-NSHDSACASA-N 302.294 -0.532 30 20 DBED CC[C@H](C(=O)NC[C@H](CO)Nc1nccnc1C#N)N(C)C 1121811678 DZKJVRJGRLPQJA-ZYHUDNBSSA-N 306.370 -0.423 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)Cn2nccn2)cn1 1122098041 JSSUYISRXGHLTJ-GFCCVEGCSA-N 301.310 -0.866 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H](CO)CNC(=O)[C@@]12COC[C@@H]1C2 1122760510 JJPZUUDLWQBUFW-ZOWXZIJZSA-N 302.334 -0.699 30 20 DBED CNC(=O)CC(=O)N(C)C[C@H](O)CNc1nc(C)cc(C#N)n1 1124257404 SNQWCONKKDORPR-LLVKDONJSA-N 320.353 -0.976 30 20 DBED C=CCOCC(=O)NCCNCC1(CS(C)(=O)=O)CC1 1124767832 LSDWAMUMKKOMEV-UHFFFAOYSA-N 304.412 -0.280 30 20 DBED C#CCNC(=O)CC(=O)NCCN[C@@H](C)c1n[nH]c(CC)n1 1125998975 WOWMOXYMLLOAIO-JTQLQIEISA-N 306.370 -0.727 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)CCn1ccnn1 1126263883 FMGDVCBIFFBHPM-UHFFFAOYSA-N 321.385 -0.864 30 20 DBED CN(CCOCCNc1cnc(C#N)cn1)C(=O)c1cnon1 1127351475 LHAWQJCURVCHHL-UHFFFAOYSA-N 317.309 -0.068 30 20 DBED C#CCN1CCOC[C@H]1c1n[nH]c(CNC(=O)C[C@H](C)OC)n1 1130831554 KAYGGTYKGMWHQD-RYUDHWBXSA-N 321.381 -0.148 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)[C@@H](COC)OC)CC1 1131383746 XWLUOVSTYSGDRI-CYBMUJFWSA-N 313.398 -0.516 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)Cc1cc(CC)nn1C 1131598984 OOYNMEOMNCGYDT-GFCCVEGCSA-N 319.409 -0.631 30 20 DBED Cc1nonc1C(=O)N[C@H]1CC[C@H](C)N(CC(=O)NCC#N)C1 1132536811 IDEADVQXEJUBQU-ONGXEEELSA-N 320.353 -0.400 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)NCCNCC(=O)N(C)C1CC1 1134812648 OOWDYVYZRBICIJ-CQSZACIVSA-N 324.425 -0.216 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cc(O)nc(CCC)c1 1135006791 VGWCIALFDLOTKU-UHFFFAOYSA-N 318.377 -0.192 30 20 DBED C=CCNC(=O)CNCCNC(=O)CCC(=O)NC1CCCC1 1135711072 BHDSUNWGAJDEDF-UHFFFAOYSA-N 324.425 -0.167 30 20 DBED CC[C@@H](OC)C(=O)N1CC2(CCN(CC(=O)NCC#N)C2)C1 1147117237 QDOPDBDIQOABFV-GFCCVEGCSA-N 308.382 -0.415 30 20 DBED C#CCO[C@H](C)C(=O)N1CC2(CCN([C@H](CC)C(N)=O)C2)C1 1147541862 ZSMGGGFGLVJLBR-CHWSQXEVSA-N 307.394 -0.177 30 20 DBED CC(C)CC(=O)NC[C@H]1CN(CC(=O)NCC#N)CCCO1 1149103337 DFLXPKHFKGXRGJ-ZDUSSCGKSA-N 310.398 -0.121 30 20 DBED COCC#CCN1CCCO[C@H](CNC(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1150116100 OSLMYZRBFUFDAU-WCVJEAGWSA-N 322.405 -0.264 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)CN1CC[C@@H](C)C1 1155255130 KGLXGOMWTFZKTD-ZIAGYGMSSA-N 323.441 -0.205 30 20 DBED C#CCNC(=O)CC(=O)NCCCNCC(=O)N[C@@H](C)CCC 1156852667 JUUBBZJURPMYQJ-ZDUSSCGKSA-N 324.425 -0.473 30 20 DBED C=C[C@](C)(O)CC(=O)NCCCNC[C@@H](O)COCCOC 1157201933 NNBATSKIIOHBRK-HIFRSBDPSA-N 318.414 -0.567 30 20 DBED C=CCCCNCCCNC(=O)[C@@H](C)NC(=O)Cn1cnnn1 1170785089 NTRMKHGJFNMJHV-GFCCVEGCSA-N 323.401 -0.760 30 20 DBED CC(C)C(=O)N1CC[C@@H]2OCCN(CC(=O)NCC#N)[C@@H]2C1 1176912506 KYOKYWQGDMZOLI-OLZOCXBDSA-N 308.382 -0.416 30 20 DBED C#CCNC(=O)CNC[C@H]1C[C@H]2CC[C@H]1N(C(=O)CCOC)C2 1177559910 QYYWVOFBYDITCK-RBSFLKMASA-N 321.421 -0.011 30 20 DBED CCS(=O)(=O)NCCN[C@H]1CCN(C(=O)[C@H](C)C#N)[C@H]1C 1178351069 GMUGUYCRYIBXMC-WOPDTQHZSA-N 316.427 -0.336 30 20 DBED C#CCNC(=O)[C@H](C)NCCCCCCNC(=O)c1nc[nH]n1 1179853839 VYTIFGMJMIRDNQ-LBPRGKRZSA-N 320.397 -0.178 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)COCCC=C)[C@H]1C 1180254243 ZTKIVJBDMFWZBV-KBPBESRZSA-N 307.394 -0.093 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2c(C)cnn2C)C1 1184980934 BIQXPCKBAPCNSG-QWHCGFSZSA-N 317.393 -0.329 30 20 DBED C#CCNC[C@@H]1CCN(C(=O)CS(=O)(=O)N(C)C)C[C@@H]1C 1185604678 NZTJBUSFSSHDIG-STQMWFEESA-N 315.439 -0.415 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2ccc(C#C)cn2)C1 1187208542 OXQLZHRCVZYPGY-CQSZACIVSA-N 310.357 -0.384 30 20 DBED C#CCN1CCC(C(=O)N2CC[C@@H](NC[C@H](O)COC)C2)CC1 1188092288 VHPDYJVWJVZFPG-CVEARBPZSA-N 323.437 -0.471 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)[C@H](C)NC(C)=O)C1 1188747229 NVLKFWZIJCGQTE-AAEUAGOBSA-N 310.398 -0.654 30 20 DBED CC(C)C#CC(=O)N1CC[C@@H](N(C)Cc2nc(=O)n(C)[nH]2)C1 1190047854 XONVJQKMWPULFL-GFCCVEGCSA-N 305.382 -0.200 30 20 DBED CCC[C@@H](C(=O)N1CC[C@@H](N(C)CC#N)C1)S(N)(=O)=O 1191551327 JSRYTUJQAKBYDN-MNOVXSKESA-N 302.400 -0.500 30 20 DBED CCn1c(C)nnc1CN1C[C@@H](O)[C@H](NC(=O)[C@H](C)C#N)C1 1191855074 WBMZCMCVXKMOTF-YUSALJHKSA-N 306.370 -0.573 30 20 DBED C#CCCCCC(=O)N[C@@H]1CN(Cc2cnnn2C)C[C@H]1O 1192289235 LUIDVEDUFBMHBI-ZIAGYGMSSA-N 305.382 -0.330 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)C2CC(C)(C)C2)C1 1192600107 UYCJKNPJGKALHA-IACUBPJLSA-N 321.421 -0.278 30 20 DBED CN(CC(=O)NCC#N)[C@H]1CCN(C(=O)Cc2cncn2C)C1 1193460635 COIRZHXOSCOPEQ-LBPRGKRZSA-N 318.381 -0.865 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)CCCn2cncn2)C1 1197520279 WJZOVMXSZXXOTF-VXGBXAGGSA-N 313.789 -0.028 30 20 DBED COc1ccccc1[C@@H](CNC(=O)[C@H]1CNC(=O)N1)NCC#N 1198875503 BFGSCGLYDDEULH-VXGBXAGGSA-N 317.349 -0.353 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)c2cnn(C)c2)CC1 1199242520 VYFHYHUZZMJPSR-UHFFFAOYSA-N 303.366 -0.636 30 20 DBED C=CCNC(=O)CNC[C@@H]1CN(C(=O)[C@H](C)OC)CCCO1 1199977934 VCRCTKMOHKGAPV-QWHCGFSZSA-N 313.398 -0.469 30 20 DBED C#CCCCC(=O)N1CCCO[C@H](CNCc2nnnn2C)C1 1200396143 HAQJQNHGOOMBSA-CYBMUJFWSA-N 320.397 -0.279 30 20 DBED COCCn1ccc(C(=O)N2CCCO[C@H](CNCC#N)C2)n1 1200937741 NLOCBUNUNFJKQF-CYBMUJFWSA-N 321.381 -0.126 30 20 DBED C#CCNC[C@H]1CN(C(=O)[C@@]2(COC)CCOC2)CCCO1 1201090418 YNXYCYZNSAISEV-GOEBONIOSA-N 310.394 -0.120 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)[C@@H]2C[C@@H](C)CO2)CC1 1201695312 WXUOMKMREIHIDJ-OCCSQVGLSA-N 307.394 -0.259 30 20 DBED C#CCCNC1CCN(C(=O)CCS(=O)(=O)N(C)C)CC1 1203847524 SMNMPALRIGGKJG-UHFFFAOYSA-N 315.439 -0.128 30 20 DBED CC(=O)N1CCOC[C@@H]1C(=O)N1CCC(CNCC#N)CC1 1206937886 XAVMSJCCTJVQAW-CQSZACIVSA-N 308.382 -0.415 30 20 DBED C#CCCN1C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)CC)[C@H](C)C1 1207037572 NOHGAZHXHGNHAY-FRRDWIJNSA-N 315.439 -0.226 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)Cn2nccn2)[C@H](C)C1 1207153422 ZDAKLCQFXNBYTE-FRRDWIJNSA-N 320.397 -0.595 30 20 DBED Cc1ncoc1C(=O)N1CCC[C@H](NCC(=O)NCC#N)C1 1207744043 JHJFXBDYQXBJIU-NSHDSACASA-N 305.338 -0.183 30 20 DBED CO[C@@H]1CN(CC(=O)NCC2CCC2)C[C@H]1NC(=O)[C@@H](C)C#N 1212039582 OOMMYFHNVXBMPI-IACUBPJLSA-N 322.409 -0.122 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)CCOC[C@@H]1CCCO1 1212504809 XCIXAMVJSJKRST-BFHYXJOUSA-N 311.382 -0.089 30 20 DBED COCC#CCN1C[C@@H](NC(=O)C2CCN(C)CC2)[C@H](OC)C1 1213369573 WMFORJLCIFZQOG-HZPDHXFCSA-N 323.437 -0.207 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@@H](NCCS(C)(=O)=O)[C@H](C)C1 1214602007 JLQJIZBMCJUGKO-FRRDWIJNSA-N 316.423 -0.494 30 20 DBED C#CCCN[C@@H]1CN(C(=O)Cn2ccc(=O)n(C)c2=O)C[C@H]1C 1214780227 QLGPZLMYNOADMC-CHWSQXEVSA-N 318.377 -0.993 30 20 DBED C#CCCCCC(=O)N[C@@H]1CN([C@@H]2CCN(CC)C2=O)C[C@@H]1O 1219490329 CTDNHDWGUKMCGL-KFWWJZLASA-N 321.421 -0.038 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)Cc2ccoc2)C1 1219505951 SKIFHYCJWNUMRH-BNOWGMLFSA-N 319.361 -0.879 30 20 DBED CCCc1n[nH]cc1C(=O)N[C@@H]1CN(CC#CCOC)C[C@@H]1O 1219927852 FJZRRACMCHHLKK-CABCVRRESA-N 320.393 -0.213 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)CCNC(=O)C2CCCCC2)C1 1220531958 FOURATQZEMSXPM-KGLIPLIRSA-N 322.409 -0.242 30 20 DBED CCCCCCC(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@@H]1O 1220895959 VGEQFRWVQWVUPR-OLZOCXBDSA-N 310.398 -0.242 30 20 DBED C=CCO[C@@H](C)C(=O)N1C[C@H]2CCN(CC(=O)NC(N)=O)C[C@H]21 1222069608 TUKADYQUUHAYTA-QJPTWQEYSA-N 324.381 -0.695 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)c1cc(C#N)c[nH]1 1231407918 QKLJWMZIBZSSNP-CYBMUJFWSA-N 313.361 -0.218 30 20 DBED CN(C[C@@H]1CCN1CC#N)C(=O)CN1C(=O)CC(C)(C)C1=O 1234356455 KLEYGMYKCYQJIH-NSHDSACASA-N 306.366 -0.172 30 20 DBED COCCN1CCN(C(=O)C(=O)N2CCC[C@@](C)(C#N)C2)CC1 1261305210 QMDZGIVLPHOAPZ-INIZCTEOSA-N 322.409 -0.071 30 20 DBED C#CCOCCNC(=O)C(=O)N1CC[C@@H](CN(C)CCC)C1 1323261926 XXVIOWYZTLLKSG-AWEZNQCLSA-N 309.410 -0.057 30 20 DBED C=CCn1c(-c2ccccn2)nnc1S(=O)(=O)CC(N)=O 1323534120 VAGXOTWBMRQJQG-UHFFFAOYSA-N 307.335 -0.215 30 20 DBED C#CCn1ccc(CN(CC)C(=O)c2nnc(O)nc2O)n1 1326745181 PNLDBXQSYDACIH-UHFFFAOYSA-N 302.294 -0.225 30 20 DBED C[C@@H]1CCCN(C[C@@H](C)NC(=O)C(=O)N2CCO[C@H](C#N)C2)C1 1327822222 NBQPDNCLTGRTNY-MGPQQGTHSA-N 322.409 -0.026 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)N2CCOC[C@H]2C2CCC2)C1 1328445199 OZPNOGDNOMDRAM-BBRMVZONSA-N 321.377 -0.109 30 20 DBED C=CCN(C(=O)[C@@H](N)CCN(C)C)[C@H]1CCS(=O)(=O)C1 1329761402 YYCRXEUFNHNBBQ-RYUDHWBXSA-N 303.428 -0.533 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N1CC[C@H](C(=O)OC)[C@@H]1C 1336593811 CZQUYGRNOITFFQ-XQQFMLRXSA-N 324.377 -0.059 30 20 DBED C=CCn1c(Cc2nc[nH]n2)nnc1N1CC(=O)N(C)C[C@@H]1C 1338991549 DDGSNQIXGSHHIL-JTQLQIEISA-N 316.369 -0.160 30 20 DBED COCCNC(=O)[C@@H](C#N)C(=O)/C=C/c1ccc(C(N)=O)o1 1342630555 FEUVCSDYWDFZCD-YWNRKNDBSA-N 305.290 -0.137 30 20 DBED C[C@H](C(=O)NCc1nnc2n1CCCC2)n1cnc(C#N)n1 1362056841 BEOFTHVDCIHMAH-SECBINFHSA-N 300.326 -0.045 30 20 DBED CC(C)(C)NCCC(=O)NCCn1cc(C#N)c(O)nc1=O 1363128084 KMGKOQYZDSKVCX-UHFFFAOYSA-N 307.354 -0.285 30 20 DBED COCCC(C)(C)C(=O)NCCn1cc(C#N)c(O)nc1=O 1363289550 ZXEWEESTDLMBIJ-UHFFFAOYSA-N 308.338 -0.001 30 20 DBED Cn1c(NCC2(C#N)CCOCC2)c(C#N)c(=O)n(C)c1=O 1364588212 FPOQFJZVBOOTRE-UHFFFAOYSA-N 303.322 -0.312 30 20 DBED Cc1cccc(S(=O)(=O)N(C)CCS(N)(=O)=O)c1C#N 1365731433 UIPVECCISOUKHO-UHFFFAOYSA-N 317.392 -0.224 30 20 DBED COCCN(CCC#N)S(=O)(=O)NCc1cn(C)cn1 1365747637 ZFTNPOGAEUBKRS-UHFFFAOYSA-N 301.372 -0.383 30 20 DBED C[C@H](C#N)C(=O)N[C@H](CNC(=O)c1cnn(C)c1N)C1CC1 1372384417 UQVJXSUXHODPMT-LDYMZIIASA-N 304.354 -0.213 30 20 DBED Cc1c(CC(=O)NC[C@H](O)CNC(=O)[C@H](C)C#N)cnn1C 1376624353 CXSGRBNLUPAILG-SKDRFNHKSA-N 307.354 -0.976 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CN(C)C(=O)CCc1nccn1C 1384244141 KPZCJYSDOBSFOV-NWDGAFQWSA-N 321.381 -0.552 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CCN(C(=O)CCN2CCCC2=O)C1 1385633092 JURBKHYJYDNPKJ-RYUDHWBXSA-N 306.366 -0.124 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@@H](CNC(=O)CN2CCOCC2)C1 1396520815 FVONZCALDFUAHS-RWMBFGLXSA-N 308.382 -0.511 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)CCN2CCOCC2)C1 1397212372 QSOIAHBGOZDNII-AVGNSLFASA-N 308.382 -0.368 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CCCN1C(=O)c1c[nH]c(=O)cn1 1398215781 QRRYGVAQIMRFNL-VHSXEESVSA-N 303.322 -0.350 30 20 DBED C[C@H](C#N)C(=O)N1CC(NC(=O)CNC(=O)c2cccs2)C1 1398706069 KIHFYGCHXOLNJX-SECBINFHSA-N 320.374 -0.035 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CCN(C(=O)c2c[nH]c(C(N)=O)c2)C1 1408386753 RVCOMJDVHIELOI-UWVGGRQHSA-N 317.349 -0.148 30 20 DBED CNC(=O)NCC(=O)N[C@H]1CC[C@H](NC(=O)[C@H](C)C#N)CC1 1409580613 LFJTYWLTZCJNNT-GMTAPVOTSA-N 309.370 -0.381 30 20 DBED CN(C)c1cccc(NC(=O)Cn2cc(C#N)c(O)nc2=O)n1 1412808764 SRPSVEQDVYBRAP-UHFFFAOYSA-N 314.305 -0.080 30 20 DBED C[C@H](C(=O)NCCN1CCC2(C1)OCCO2)n1cnc(C#N)n1 1453787962 XVUKRPKNUJIQJJ-LLVKDONJSA-N 320.353 -0.724 30 20 DBED COC(=O)C[C@@H](C)C(=O)NCCn1cc(C#N)c(O)nc1=O 1470360933 MFBDVGMQBCBKJL-MRVPVSSYSA-N 308.294 -0.864 30 20 DBED N#CCCN(CCC#N)C(=O)CNC1(C(N)=O)CCOCC1 1473624514 AYVWOUZXKLYUTD-UHFFFAOYSA-N 307.354 -0.734 30 20 DBED CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)Nc1nn(C)cc1C#N 1476217264 FLQJQNUIORNVQG-DTWKUNHWSA-N 313.339 -0.775 30 20 DBED C#CCNCC(=O)N1CCN(CC(=O)NC2CCCCC2)CC1 1521475910 FXGXVOFPUUSUFN-UHFFFAOYSA-N 320.437 -0.198 30 20 DBED C=CCOCC(=O)N[C@@H]1CCC[C@H]1CNC(=O)CNC(=O)O 1573369494 UGEWUTLRIDKBOP-WDEREUQCSA-N 313.354 -0.142 30 20 DBED N#Cc1ncc(N[C@@H]2CC[C@H](O)[C@H](O)CC2)nc1-c1nn[nH]n1 1581882489 ASIZURXVCNSQII-LETLQTKMSA-N 316.325 -0.395 30 20 DBED C#CCN(CC(=O)O)S(=O)(=O)c1cccc(-n2cnnn2)c1 1588426382 HXTUSKRLXAQDEW-UHFFFAOYSA-N 321.318 -0.629 30 20 DBED C#CCOCCC(=O)N1CCN(c2ccnc(C(=O)O)n2)CC1 1588489534 CASZIBDHEHMTBU-UHFFFAOYSA-N 318.333 -0.137 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H](O)CNc1ncc(C(=O)O)cn1 1588489773 CKGHGBQVVXOWSL-ONGXEEELSA-N 322.321 -0.898 30 20 DBED COCCc1nc(Cn2c(C)nc(-c3nn[nH]n3)c2C#N)no1 1591448036 UXRAFFBXCGGCFV-UHFFFAOYSA-N 315.297 -0.137 30 20 DBED O=C(CCN/C(O)=C1\N=CC=CC1=O)N[C@H]1CC[C@H]1C(=O)O 1601280153 YWQGAKDUQBGXCB-APAFNLKXSA-N 307.306 -0.118 30 20 DBED CC(C)COC[C@H](O)CNc1cnc(C#N)c(-c2nn[nH]n2)n1 1603303264 LBJYCKMPDSMCIJ-SECBINFHSA-N 318.341 -0.026 30 20 DBED N#Cc1ccc(C(=O)N2CC(CNC(=O)[C@H]3C[C@H]3C(=O)O)C2)[nH]1 1608198901 IROVJAPSOPKTBZ-WDEREUQCSA-N 316.317 -0.205 30 20 DBED CC#CC[C@@H](CO)NS(=O)(=O)c1ccccc1-c1nn[nH]n1 1609060103 YVSAQBLKGOIXRP-JTQLQIEISA-N 321.362 -0.081 30 20 DBED N#CCCNC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)cc1F 1609495377 ICXREZCYHIGYCW-UHFFFAOYSA-N 303.257 -0.026 30 20 DBED Cn1nnc(C[S@](=O)CC(=O)NCc2ccc(C#N)cc2)n1 1645926208 IJHUVPSMPNNBQW-QFIPXVFZSA-N 318.362 -0.353 30 20 DBED CC#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)CCCS(N)(=O)=O 1752542807 RNAFCBDFNSHGJS-BETUJISGSA-N 313.423 -0.246 30 20 DBED CN(CCNCC(=O)NCC#N)C(=O)c1ncc(F)cc1F 1753204481 WRKDHIISTOURLF-UHFFFAOYSA-N 311.292 -0.339 30 20 DBED C#CCNC(=O)CN1CC[C@H](N(CC)C(=O)Cc2cc[nH]n2)C1 1753454880 OZIIEMKWGDBPFH-AWEZNQCLSA-N 317.393 -0.376 30 20 DBED CC(C)C[C@H](CNCC(=O)NCC#N)NC(=O)c1cnns1 1753732547 IQBAQGUTYVBAEU-SNVBAGLBSA-N 324.410 -0.088 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2ccnn2C)C[C@H]1C 1753770582 WJYPLWRAQFKQJR-CHWSQXEVSA-N 317.393 -0.390 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@]1(C)CCN(CC(=O)NCC=C)C1 1754669862 HJKWJHYCNKBIPP-BBRMVZONSA-N 307.394 -0.093 30 20 DBED CC#CCN[C@H](C)[C@H]1CCN(C(=O)CN2CCC(=O)NC2=O)C1 1754803399 BIBIYGUHDCCUFL-OLZOCXBDSA-N 320.393 -0.222 30 20 DBED C#CCCN[C@H](C)[C@H]1CCN(C(=O)CN2C(=O)CCC2=O)C1 1754808251 ZOXWUPSUNMHKCV-OLZOCXBDSA-N 305.378 -0.015 30 20 DBED C#CCNC(=O)CNC[C@H]1CN(C(=O)c2[nH]ccc2C)CCO1 1755000409 RUPQHLJWJZFISL-ZDUSSCGKSA-N 318.377 -0.497 30 20 DBED N#CCN1CCN([C@H]2CCN(C(=O)CNC(=O)C3CC3)C2)CC1 1755016627 DENAUXJCOZHOQV-AWEZNQCLSA-N 319.409 -0.745 30 20 DBED CCOCCNC(=O)CN1C[C@H]2[C@H](CNC(=O)[C@H](C)C#N)[C@H]2C1 1755420464 MCILKJNJOWJFKU-SYQHCUMBSA-N 322.409 -0.407 30 20 DBED C[C@H](CCCNCC#N)NC(=O)CN1CCCS1(=O)=O 1755502987 LWDVUGVXYFEBCF-LLVKDONJSA-N 302.400 -0.580 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)Cc2nc[nH]n2)[C@@H]1C 1755664159 QEDRCKGDVRLDLB-GHMZBOCLSA-N 306.370 -0.772 30 20 DBED COCC#CCN[C@@H]1C[C@@H](C)N(C(=O)CCn2cncn2)C1 1755670405 QRQOYXUPUHOVNL-ZIAGYGMSSA-N 305.382 -0.103 30 20 DBED C=CCN1CC[C@@H](NC[C@H](O)CN(C)C(=O)C(F)F)C1=O 1755770487 UUKPSNWIAHTACL-VHSXEESVSA-N 305.325 -0.553 30 20 DBED C#CCN(C)C[C@H](O)CN(C)C(=O)c1cccc(C(=O)NC)n1 1755807797 LEGFTXNUGQHFJG-LBPRGKRZSA-N 318.377 -0.561 30 20 DBED C#CCNC(=O)CNC1CC(N(C)C(=O)Cc2nonc2C)C1 1755863828 NBNSKSTZHARQEB-UHFFFAOYSA-N 319.365 -0.751 30 20 DBED N#CCNC(=O)CN1CC=C(CNC(=O)Cn2ccnc2)CC1 1755898977 HGQZABFMRGGTJJ-UHFFFAOYSA-N 316.365 -0.729 30 20 DBED C#CCOCCC(=O)N(C)[C@@H](C)CNC(=O)c1cnnn1CC 1756023515 WTARQAXQJAUEMA-LBPRGKRZSA-N 321.381 -0.085 30 20 DBED C#Cc1ccccc1CC(=O)N1CC([C@@H](C)NC(=O)C(N)=O)C1 1756155107 OWHGXWCMQMCMLR-LLVKDONJSA-N 313.357 -0.341 30 20 DBED C#CCCCCC(=O)NC[C@@H](CO)NC(=O)[C@H]1CCCC(=O)N1 1756514247 VJESABLDSJRLNJ-QWHCGFSZSA-N 323.393 -0.558 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H](CO)NC(=O)c1ccnn1CC 1756521199 LLSPKUBGKQYSNO-RYUDHWBXSA-N 322.365 -0.852 30 20 DBED C=C(C)C(C)(C)C(=O)N(C)C[C@@H](O)CNC(=O)CC(=O)NC 1756672275 SJUVKZWNYDRWKO-NSHDSACASA-N 313.398 -0.340 30 20 DBED C=CCCCC(=O)N(C)C[C@H](O)CNC(=O)[C@H]1CCC(=O)N1 1756677273 REWXAZAJDDIQSP-VXGBXAGGSA-N 311.382 -0.443 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(C(=O)[C@@H](C)OCC#C)C[C@@H]1O 1757168606 DBGHRCJILSXUIB-MCIONIFRSA-N 306.362 -0.484 30 20 DBED C=CCOCC(=O)N1CC[C@H](NC(=O)c2cc[nH]n2)[C@@H](O)C1 1757561371 HMCZBDXKOVBWRK-JQWIXIFHSA-N 308.338 -0.696 30 20 DBED COCCN(CCC#N)c1nnc([C@@]2(C)CNC(=O)C2)n1C 1772174015 GCPLQZRNVYJIQY-CQSZACIVSA-N 306.370 -0.041 30 20 DBED N#CCC(=O)N1CCO[C@]2(CCN(C(=O)Cc3cc[nH]n3)C2)C1 1782789729 GUMSWTBQCKDZOT-HNNXBMFYSA-N 317.349 -0.304 30 20 DBED N#CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(=O)C1CC1)C2 1795077744 ZSHWGMNIINUQHH-PTEHBNRSSA-N 305.334 -0.531 30 20 DBED C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCNC(=S)NC)C2 1801599665 GPPODOUBGLGNQT-ZSBIGDGJSA-N 322.434 -0.258 30 20 DBED C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](COC)NC(C)=O)C2 1801599740 NNBGBFBZNXKPFR-CRWXNKLISA-N 321.377 -0.591 30 20 DBED N#CCC(=O)N1CCCC12CN(C(=O)c1cccc(=O)n1O)C2 1842622051 YCAHDXVKKPAYJP-UHFFFAOYSA-N 316.317 -0.184 30 20 DBED C=CCNS(=O)(=O)c1ccc(C(=O)N2CCNC(=O)C2)cc1 17818649 VFJPLRAASKKTET-UHFFFAOYSA-N 323.374 -0.277 30 20 DBED C#CCN1CCN(C(=O)CN2CCCN(C(C)=O)CC2)CC1 81646903 CIMXQQINHUAKOT-UHFFFAOYSA-N 306.410 -0.682 30 20 DBED C#CCNC(=O)CN[C@H](c1nc(-c2nnc[nH]2)no1)C(C)C 120762150 OAJJZPMYERJUNZ-JTQLQIEISA-N 303.326 -0.109 30 20 DBED C/N=C(/NCCS(C)(=O)=O)N[C@@H]1CN(C2CC2)C[C@H]1C 261965369 LJRDJLOUIGBYCT-ZYHUDNBSSA-N 302.444 -0.321 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H]2C(=O)OC)C1=O 265214785 AEZJCOWNCCMHIW-VIFPVBQESA-N 323.305 -0.873 30 20 DBED C#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@@H](CO)COC 280489260 QMECUGKJXSYTOE-NSHDSACASA-N 324.308 -0.100 30 20 DBED C#CCN(C)CCCNC(=O)N1C[C@@H](C)O[C@@H](C(=O)OC)C1 297517731 PSYWEFONGAZSFY-CHWSQXEVSA-N 311.382 -0.087 30 20 DBED Cc1nc(C(=O)NC[C@H]2CS(=O)(=O)CCO2)ccc1C#N 329074791 PJGATOCLYXBRQF-NSHDSACASA-N 309.347 -0.195 30 20 DBED CS(=O)(=O)N1CC[C@@H](C/N=C(/O)N[C@H]2CCCOC2)C1 329521234 FSAVNYJGTHTGPI-QWRGUYRKSA-N 305.400 -0.050 30 20 DBED Cn1c(=O)ccn(C/C(O)=N/[C@@H]2CCc3c[nH]nc3C2)c1=O 329866628 VBRIAGLOWBLHSY-SNVBAGLBSA-N 303.322 -0.216 30 20 DBED CCN1CN(/C(O)=N/CC2(CS(C)(=O)=O)CC2)CC1=O 330151627 NOUAHVGKWBWSOB-UHFFFAOYSA-N 303.384 -0.153 30 20 DBED CN([C@H]1CCN(S(C)(=O)=O)C1)S(=O)(=O)CC1(C#N)CC1 330218545 OTYRCQWZDARJSY-JTQLQIEISA-N 321.424 -0.414 30 20 DBED CCS(=O)(=O)C[C@H](C)/N=C(/O)N[C@@H]1C(=O)NCC[C@H]1C 331268645 KVUAOFOKYJLQQQ-UTLUCORTSA-N 305.400 -0.162 30 20 DBED COCCN(CCC#N)S(=O)(=O)NCc1nc(C)no1 337166507 ZTWGJXPQTHJPCB-UHFFFAOYSA-N 303.344 -0.426 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N1C[C@H](C)O[C@@H](CO)C1 337167983 CSRXXGAXYVUDDC-GRYCIOLGSA-N 305.400 -0.206 30 20 DBED N#Cc1cnn(-c2ccc(C(=O)NCCn3ncnn3)cc2)c1N 338959683 AKIUJGXGZXBJCS-UHFFFAOYSA-N 323.320 -0.257 30 20 DBED C=CCNC(=O)CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 347229877 INYJGIKJQXQYAP-UHFFFAOYSA-N 306.278 -0.048 30 20 DBED C[C@@H](CN1CCOCC1)NC(=O)CNc1ccc(C#N)cn1 347704660 RRLNQCMJTQINFJ-LBPRGKRZSA-N 303.366 0.202 30 20 DBED CN(C(C)(C)C#N)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O 408241544 JYCXQKUXZNOAFN-UHFFFAOYSA-N 300.340 -0.993 30 20 DBED CN1CC[C@H](C(=O)NS(=O)(=O)c2cncc(C#N)c2)CC1=O 408489709 VOXJOAKKPRQJKX-JTQLQIEISA-N 322.346 -0.373 30 20 DBED C[C@@H]1CC[C@H](C(=O)O)CN1S(=O)(=O)N1CCO[C@@H](C#N)C1 424383012 AGEXJGSDKKYURH-VWYCJHECSA-N 317.367 -0.359 30 20 DBED C=CCSCCNC(=O)N1CCS(=O)(=O)[C@@H](C(=O)O)C1 424398745 WBJOWHORLKAUAI-SECBINFHSA-N 322.408 -0.201 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H]2CC[C@@H](C)O2)C1=O 457359343 IBVCUMFCISHKQJ-ZJUUUORDSA-N 309.322 -0.353 30 20 DBED C#CCN(C)CCCNS(=O)(=O)N1CCOC(C)(C)C1 491202395 NVRIYCRGELJJOF-UHFFFAOYSA-N 303.428 -0.113 30 20 DBED C#CCN(C)CCCNC(=O)[C@@H](NS(C)(=O)=O)C(C)C 491657423 IVDCNNDHEVZJFA-LBPRGKRZSA-N 303.428 -0.369 30 20 DBED COc1cc(C#N)ccc1NC(=O)C(=O)NCCCC(N)=O 547418369 SUJCPYVNQHKKHE-UHFFFAOYSA-N 304.306 -0.113 30 20 DBED N#C[C@]1(NC(=O)CNC(=O)Cc2ccc(O)cc2)CCOC1 548140649 KCCREWJFETUYJV-OAHLLOKOSA-N 303.318 -0.150 30 20 DBED COCCNCCCNC(=O)C(=O)Nc1cc(C)c(C#N)cn1 583330855 MKKITGVMHGCFIO-UHFFFAOYSA-N 319.365 -0.058 30 20 DBED COCCCS(=O)(=O)NCCN1CC[C@](O)(CC#N)C1 592150965 LBVCTGQOTPWHRA-GFCCVEGCSA-N 305.400 -0.707 30 20 DBED Cc1nn(C)c(N2CCN(C(=O)[C@@H]3CCNC3=O)CC2)c1C#N 597551589 FLCQRDAQSYGMJE-LLVKDONJSA-N 316.365 -0.615 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(CCc2cnccn2)c1=O 631006269 VWSUAGAMRJADGT-UHFFFAOYSA-N 315.333 -0.424 30 20 DBED CC#CCNCc1cn(Cc2nnn(CC(F)(F)F)n2)nn1 641164468 KJWCZFSZTBXOJF-UHFFFAOYSA-N 314.275 -0.012 30 20 DBED C=CCNC(=O)CNC(=O)NCc1nnnn1-c1ccccc1 679019276 VVWWFCLDFGLTMZ-UHFFFAOYSA-N 315.337 -0.236 30 20 DBED COC[C@H](C#N)OC(=O)C1=NC=CN2CCS(=O)(=O)N=C12 784984689 NYXPEQBWJSTNFY-QMMMGPOBSA-N 312.307 -0.962 30 20 DBED C#CCNC(=O)CN1CCC[C@H](CN(C)S(C)(=O)=O)C1 796127998 SVGPKMPIKQMBNP-GFCCVEGCSA-N 301.412 -0.661 30 20 DBED C=CCOCCOC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 797295792 VESWTQIZQLIUTH-WFFHOREQSA-N 309.318 -0.105 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@H](C)C[S@](C)=O)[C@@H]1CCCO1 809223812 ULTGZSWMAJJHAS-GGRBLDGOSA-N 300.380 -0.833 30 20 DBED C#C[C@H](NC(=O)C(=O)N(CC)CCOCCO)[C@H]1CCCO1 809310825 UTOXGOPMOXMPKD-QWHCGFSZSA-N 312.366 -0.859 30 20 DBED C#C[C@H](NC(=O)CNS(=O)(=O)c1cccnc1)[C@H]1CCCO1 811185440 LPAFYLVQJYOLGX-QWHCGFSZSA-N 323.374 -0.343 30 20 DBED CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)[C@](C)(C#N)CC(=O)O)O1 820524247 NHSVZWUJPGDBAE-BHDSKKPTSA-N 311.338 -0.257 30 20 DBED CN1C(=O)CC[C@@H](NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1=O 823905952 PDYYJIJTHLAVHL-VXGBXAGGSA-N 319.365 -0.484 30 20 DBED N#CCCS(=O)(=O)NC(=O)[C@]1(c2ccccc2)CNC(=O)C1 847707713 NJUAXHSCMGLRPN-AWEZNQCLSA-N 321.358 -0.196 30 20 DBED O=C(C#Cc1ccc2c(c1)OCO2)NCCN1CC[C@H](O)C1 863831770 NVSAYXUSLBQMQT-ZDUSSCGKSA-N 302.330 -0.050 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N1CCO[C@H](COC)C1 875595317 AFEGGLMSXBCJON-STQMWFEESA-N 312.366 -0.595 30 20 DBED C#CCCN1CCN(S(=O)(=O)C[C@@H](COC)OC)CC1 881811574 FTGKUIQPGKOBMI-CYBMUJFWSA-N 304.412 -0.382 30 20 DBED C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(CCC#N)CC2)CCN1 884717706 JUHWBKOIZYVTLJ-CHWSQXEVSA-N 307.398 -0.699 30 20 DBED COC(=O)CN(CC#N)C(=O)CCN1CCN(C(C)C)CC1 900770901 LRVNGPVYSRHCNC-UHFFFAOYSA-N 310.398 -0.072 30 20 DBED CC(C)NC(=O)[C@H](C#N)C(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O 916946943 QJFPHORVOCEOBG-MEBBXXQBSA-N 320.349 -0.060 30 20 DBED Cc1cc(N2CC[C@H](NC(=O)NCC#CCO)C2=O)n(C)n1 923780036 YIDOODZABPNHLZ-NSHDSACASA-N 305.338 -0.871 30 20 DBED N#CCN1CCC(NC(=O)C(=O)N2CCn3cccc3C2)CC1 930031370 GFCHFQPXYZCVDB-UHFFFAOYSA-N 315.377 -0.066 30 20 DBED C=CCNC(=O)NC(=O)CN[C@H]1COCCC1(OC)OC 931665760 KUFJKLZHDYXWAN-JTQLQIEISA-N 301.343 -0.634 30 20 DBED O=C(NC[C@H]1CN(C(=O)C#CC2CC2)CCO1)c1cnccn1 944460698 MFXJDHZBTGNGQJ-ZDUSSCGKSA-N 314.345 -0.153 30 20 DBED NC(=O)CC(=O)N1CC[C@@H]2CN(C(=O)C#CC3CC3)CC[C@@H]21 945950886 FXDGEURFQQGWBJ-OLZOCXBDSA-N 303.362 -0.275 30 20 DBED N#CCN1CCOC2(CCN(C(=O)[C@H]3CCC(=O)N3)CC2)C1 949322769 DTPMYTRIUUKLEM-GFCCVEGCSA-N 306.366 -0.518 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@H]2CNC(=O)c2cn(C)nn2)cn1 949746372 OWZFPTHLZFZHHQ-ZDUSSCGKSA-N 324.344 -0.164 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]1CNC(=O)c1cn(C)ccc1=O 951324248 UTZAFZUQRYHZCL-GHMZBOCLSA-N 302.334 -0.124 30 20 DBED CC(=O)N1CC(C(=O)NC[C@@H]2CCCN2C(=O)[C@H](C)C#N)C1 956189432 WXNUFZVAKONMLM-MFKMUULPSA-N 306.366 -0.268 30 20 DBED CC(=O)Nc1c[nH]c(C)c1C(=O)NC[C@@H]1CN(CC#N)C[C@H]1O 958195379 GTUJVOQQVJVOQY-DGCLKSJQSA-N 319.365 -0.172 30 20 DBED C=CCCN1C[C@@H](O)[C@@H](CNC(=O)c2ccc(=O)n(C)c2)C1 958202743 KQFYVQVGSICSTL-UONOGXRCSA-N 305.378 -0.016 30 20 DBED N#CCN1C[C@@H](O)[C@@H](CNC(=O)c2n[nH]c3c2CCCC3)C1 958205573 AVTFIEYTEOFOCL-GXFFZTMASA-N 303.366 -0.165 30 20 DBED CCc1ocnc1C(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1O 961983142 PYSYSEIZQNSEMB-AEJSXWLSSA-N 306.322 -0.302 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCOC3)C[C@@H]2O)[nH]1 962329160 QVHNATSIVQIWDJ-BIMULSAOSA-N 318.333 -0.776 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)c1csc(O)n1 964303042 FEBOLYBCWYDKND-BDAKNGLRSA-N 324.362 -0.034 30 20 DBED C=C[C@](C)(CC)C(=O)N1CC2(C[C@@H](NC(=O)C(N)=O)CO2)C1 965793276 ZJOFCFJGYXFSGM-QMTHXVAHSA-N 309.366 -0.440 30 20 DBED C#CCN1CC[C@H](C)[C@@H](NC(=O)c2cn(CCOC)nn2)C1 966000110 JWKSLMQZBUGOKZ-STQMWFEESA-N 305.382 -0.002 30 20 DBED CN(C[C@H]1CCCN(C(=O)C(N)=O)C1)C(=O)c1cc(C#N)c[nH]1 967399318 FAEZMRGASADUKM-SNVBAGLBSA-N 317.349 -0.318 30 20 DBED CCN(C(=O)[C@H]1CCN(C)C1=O)C1CN(C(=O)[C@@H](C)C#N)C1 968258433 BCFAQMRZHZCWPW-JQWIXIFHSA-N 306.366 -0.316 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@H](NC(=O)[C@@H]2CCC(=O)N2)C1 969362466 UMPKLPVESNTBJQ-AXFHLTTASA-N 309.366 -0.835 30 20 DBED C=CCN1CC[C@H](N[C@@H]2CCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C2)C1=O 969645551 HQPDPGDDNMXOAM-MRLBHPIUSA-N 319.405 -0.144 30 20 DBED C#CCN1C[C@H]2CC[C@H]1CN2C(=O)CN1C(=O)CN(C)C1=O 972090857 BCVPFTHESIYAOQ-NWDGAFQWSA-N 304.350 -0.811 30 20 DBED O=C1NCC[C@H]1N1CCO[C@]2(CCN(C(=O)C#CC3CC3)C2)C1 972379488 YQYRPLXMRDHYSA-RHSMWYFYSA-N 317.389 -0.408 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)C[C@@H]3CCC(=O)N3)C2)C1 972593533 NDUVWJFZYIAYJR-BBRMVZONSA-N 305.378 -0.408 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)c3cccn(C)c3=O)C2)C1 972644476 XVQGBJCOAZMYLP-QGZVFWFLSA-N 315.373 -0.065 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)c3cn(C)c(=O)cn3)[C@H]2C1 976956211 XKQMDADXDTXEMC-QISWUMQESA-N 315.333 -0.873 30 20 DBED C#CCN1C[C@@H]2C(CNC(=O)[C@H]3CC(=O)N(CCOC)C3)[C@H]2C1 978246848 NXZBFXFMFZWEMQ-NWANDNLSSA-N 319.405 -0.592 30 20 DBED N#Cc1ccc(C(=O)NC[C@H]2C[C@H](NC(=O)c3nc[nH]n3)C2)[nH]1 979659655 YQZNATAXGOZZKK-CZMCAQCFSA-N 313.321 -0.057 30 20 DBED C#CCN1CCCC2(C1)CN(C(=O)CN1CC(=O)N(C)C1=O)C2 982113049 IHBGKBKOUABSPR-UHFFFAOYSA-N 318.377 -0.562 30 20 DBED C[C@H](C(=O)N1CC(NC(=O)c2cc(C#N)c[nH]2)C1)n1cncn1 990697042 YWULPBZJRGDFJO-SECBINFHSA-N 313.321 -0.320 30 20 DBED C=CCn1cc(C(=O)NC2CN(C(=O)Cc3ccc[nH]3)C2)nn1 991674677 ASOUUVKTTYWNKW-UHFFFAOYSA-N 314.349 -0.025 30 20 DBED N#CCN[C@@H]1CCC[C@H]2CN(C(=O)C3CC(=O)NC(=O)C3)C[C@@H]21 992832180 KVHMBZJNZABMJI-WCFLWFBJSA-N 318.377 -0.221 30 20 DBED CC#CCN1CCC[C@@H](NC(=O)Cn2ccc(O)nc2=O)[C@H]1C 993551404 BFLJDTUPHVYRPB-CHWSQXEVSA-N 318.377 -0.059 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@H]2CCN(C)S2(=O)=O)CC1(C)C 996403652 XBZLSZJAOUWEAI-VXGBXAGGSA-N 313.423 -0.520 30 20 DBED N#CCNC1CCN(C(=O)C2CC3(C2)NC(=O)NC3=O)CC1 997095822 PWTUALMBDZZEBO-UHFFFAOYSA-N 305.338 -0.921 30 20 DBED C#Cc1ccccc1CC(=O)N1CC(NC(=O)Cn2cncn2)C1 1000108993 DJXBFYHVBZBYIM-UHFFFAOYSA-N 323.356 -0.171 30 20 DBED C=CCn1cc(C(=O)NC2CCN([C@@H](C)C(N)=O)CC2)nn1 1003754363 ANYQUKYTXCAQQL-JTQLQIEISA-N 306.370 -0.468 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)CC1 1011976767 ANYVPWKYCXYDBR-XDQVBPFNSA-N 321.377 -0.132 30 20 DBED CC(=O)N1CCO[C@@H](C(=O)N2CCN(C(=O)[C@H](C)C#N)CC2)C1 1011999360 DDGRDPPUDVWVKN-DGCLKSJQSA-N 322.365 -0.936 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC2(CCN(C(=O)C(N)=O)C2)C1 1019064663 BMLLFSXBTZBOJO-RYUDHWBXSA-N 321.377 -0.486 30 20 DBED CC(=O)N1CC(C(=O)N2CC[C@H]3CN(C(=O)[C@H](C)C#N)C[C@H]32)C1 1021471973 VRHASKCILDXQSW-SCDSUCTJSA-N 318.377 -0.316 30 20 DBED CC1(C(=O)N[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2O)CC1 1024089414 PZNUBPDBPRWRDN-VXGBXAGGSA-N 302.334 -0.012 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2ncccc2F)C1 1025218633 ALCHWWIVBCZZTQ-OASPWFOLSA-N 320.324 -0.389 30 20 DBED C#CCN[C@@H]1CC[C@H]2CN(C(=O)CN3CC(=O)N(C)C3=O)C[C@H]21 1026396467 DTHLJHOEXFXQLC-YNEHKIRRSA-N 318.377 -0.660 30 20 DBED C=CCCn1cc(C(=O)NC[C@H]2CCN([C@H](C)C(N)=O)C2)nn1 1028858131 NAZKUOGUYCMIDX-VXGBXAGGSA-N 320.397 -0.220 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN(CC(=O)N(C)C2CC2)C1 1030461978 FSSBVEHHSFJTSB-HNNXBMFYSA-N 318.421 -0.495 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)c3c(C)cnn3C)C2)C1=O 1030808651 VWLMHXIWPQVNFV-CYBMUJFWSA-N 317.393 -0.071 30 20 DBED N#CCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1OCC(N)=O 1032509112 RYRSUXODAJEQNE-RYUDHWBXSA-N 314.345 -0.027 30 20 DBED C#CCN1CCO[C@H](CNC(=O)[C@@H]2CCc3cncn3C2)C1 1035418433 HOFFVIWJQRERCR-UKRRQHHQSA-N 302.378 -0.104 30 20 DBED CN(C)c1ccc(C(=O)NC[C@@H]2CN(CC#N)CCO2)nn1 1035581457 IYGWNCZEWNEXLI-LLVKDONJSA-N 304.354 -0.503 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)Cc2cscn2)C1 1039749584 QSCBGVWRQYLWFJ-HZMBPMFUSA-N 322.390 -0.075 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)CN(C)C2CCC2)C1 1040146573 GWRDDQFUIKIPHO-LRDDRELGSA-N 322.409 -0.290 30 20 DBED N#Cc1cccnc1N1C[C@@H](O)[C@H](NC(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1041272870 QZUMBWVDVQTUIL-ITGHMWBKSA-N 314.345 -0.489 30 20 DBED C=CCn1cc(C(=O)N2CC[C@]3(CCN(CCO)C3)C2)nn1 1041729972 ZCMUHPYNIJZMTP-HNNXBMFYSA-N 305.382 -0.006 30 20 DBED C=C(C)CCC(=O)N1CC(O)(CNC(=O)COCCOC)C1 1042131246 VUUFWBGSANNYPI-UHFFFAOYSA-N 314.382 -0.305 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)c2cc[nH]c2C)C1 1042427694 MCXLDAVDUGELOK-GFCCVEGCSA-N 319.361 -0.335 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)Cn2ccnc2C)C1 1043125832 BIVDGDVWCMVVIE-UHFFFAOYSA-N 322.365 -0.916 30 20 DBED N#Cc1cncc(N2C[C@H](O)[C@H](NC(=O)[C@@H]3CCOC3)C2)n1 1043866400 IKZCCYFTNOFVSU-JLLWLGSASA-N 303.322 -0.950 30 20 DBED N#Cc1cnc(N2C[C@H](O)[C@H](NC(=O)[C@@]34COC[C@@H]3C4)C2)cn1 1044696938 KHVJQDMLZVQHHB-LIBKGXAOSA-N 315.333 -0.950 30 20 DBED CCN(C)C(C)(C)C(=O)N1CC(O)(CNC(=O)[C@H](C)C#N)C1 1045554358 DGQDQIUJYWXPMY-LLVKDONJSA-N 310.398 -0.434 30 20 DBED Cc1nccn1CC(=O)N1CC(O)(CNC(=O)[C@H](C)C#N)C1 1045554980 MCADIHFHQRHKRY-SNVBAGLBSA-N 305.338 -0.959 30 20 DBED C#CCCN1CC[C@@](C)(NC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 1046505684 JKHIGQLJKKBMDQ-XJKSGUPXSA-N 315.377 -0.031 30 20 DBED C[C@H](C(N)=O)N1C[C@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2C1 1048778877 JLBYIPBLJXFPPX-JLLWLGSASA-N 301.350 -0.236 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)C2(C)CCOCC2)C[C@@H]1O 1049395738 XOYKDWUSPSACQK-AVGNSLFASA-N 323.393 -0.007 30 20 DBED C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1ccc(O)nc1=O 1049579288 KDDJFCSIMMMOAT-QWHCGFSZSA-N 316.361 -0.353 30 20 DBED N#CCN1C[C@@H]2CCCN(C(=O)CN3CCCNC3=O)[C@@H]2C1 1050084551 IFCYERMFLHPMMN-QWHCGFSZSA-N 305.382 -0.152 30 20 DBED C#CCCN1CCOC[C@@H]1CNC(=O)c1cc(C(N)=O)cn1C 1051003310 MHYMMLMLNSHPNW-ZDUSSCGKSA-N 318.377 -0.422 30 20 DBED C#CCN1CCC[C@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)CC1 1052913454 JMFUDBUAZXPDTM-LBPRGKRZSA-N 320.393 -0.079 30 20 DBED C#Cc1cncc(C(=O)N2C[C@H](C)[C@H](CNC(=O)C(N)=O)C2)c1 1053393578 CSCPZCIESHQDJA-GXFFZTMASA-N 314.345 -0.628 30 20 DBED CC(C)N1C[C@@H](C(=O)N[C@H]2COC3(C2)CN(CC#N)C3)CC1=O 1053818579 ONMVETKMXDMDSC-QWHCGFSZSA-N 320.393 -0.274 30 20 DBED C=C(C)CCN1CC2(C[C@@H](NC(=O)[C@H]3CN(C)C(=O)N3)CO2)C1 1053890639 CWJQSECDESGNLN-CHWSQXEVSA-N 322.409 -0.064 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)CCc1cn(C)nn1 1057174740 GNMVRBPMKUAQTJ-UHFFFAOYSA-N 323.397 -0.349 30 20 DBED CSCC(=O)NCCN(CCO)C(=O)c1cc(C#N)c[nH]1 1057291776 PXFDNMYTUYIHGL-UHFFFAOYSA-N 310.379 -0.200 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)c1nccn1CC 1057457121 WIYXEHVWMXBEFK-UHFFFAOYSA-N 324.381 -0.344 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)[C@@H]1CC1(F)F 1057504167 SDYWCYDFMVKFRD-JTQLQIEISA-N 306.309 -0.219 30 20 DBED C#CCNC(=O)CC(=O)NCCN(CCO)C(=O)/C=C(\C)CC 1057507169 IEQNUKBDURESJQ-ACCUITESSA-N 323.393 -0.581 30 20 DBED N#Cc1ccc(N[C@@H]2CCCN(C(=O)[C@@H]3COC(=O)N3)C2)nn1 1057629448 BEXIOOYRUMUXOT-MNOVXSKESA-N 316.321 -0.140 30 20 DBED C=C(C)CCC(=O)NCCN(CCO)C(=O)CNC(=O)NC 1057854345 FGUMHLBBQVASAN-UHFFFAOYSA-N 314.386 -0.791 30 20 DBED COCCC1(C(=O)NCCN(CCO)C(=O)[C@H](C)C#N)CC1 1058656618 HJAYPIFCQIQQQO-GFCCVEGCSA-N 311.382 -0.100 30 20 DBED Cn1nnc(C(=O)N2[C@H]3CC[C@H]2CN(c2ccc(C#N)cn2)C3)n1 1058790486 OJAQDNDKKYJMIS-RYUDHWBXSA-N 324.348 -0.030 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCOC[C@@H]1CNC(=O)c1cocn1 1061419740 OUVZTGHBWLYQSR-XHDPSFHLSA-N 323.349 -0.041 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@H]1COCCN1C(=O)c1ccon1 1061542089 HXFRQUMTUSHOPO-NHYWBVRUSA-N 323.349 -0.041 30 20 DBED C=CCO[C@@H](C)C(=O)NC[C@H]1COCCN1C(=O)COCC 1061667258 BBWICHAYRDFCMA-STQMWFEESA-N 314.382 -0.042 30 20 DBED C#CCNC(=O)CC(=O)NC1(CNC(=O)CSC)CCC1 1062472571 DFPBHBXGNJJWKX-UHFFFAOYSA-N 311.407 -0.356 30 20 DBED O=C(C#CC1CC1)NCC1(NC(=O)c2c[nH]c(=O)cn2)CCC1 1062977642 SISRTPZWEWHXDI-UHFFFAOYSA-N 314.345 -0.048 30 20 DBED C=CCOCC(=O)NC1(CNC(=O)Cn2nccn2)CCC1 1063179292 RAPZUZJEIUZUFM-UHFFFAOYSA-N 307.354 -0.364 30 20 DBED C[C@H]1CN(C(=O)CC(N)=O)C[C@@H]1CN=c1cc[nH]c(C#N)n1 1065827594 BXWWKCUZYISGTI-UWVGGRQHSA-N 302.338 -0.848 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CCCN(C(=O)CNC(=O)CC)C1 1070561822 KYTDZNXRLOVOLL-QWHCGFSZSA-N 323.393 -0.342 30 20 DBED C=CCOCC(=O)N[C@@H]1CCCN(C(=O)C[C@@H]2CCNC2=O)C1 1070839862 UWZUPLKUMGGOKL-QWHCGFSZSA-N 323.393 -0.178 30 20 DBED C[C@@H]1C[C@@H](C(=O)N2CCC(=O)NCCN(CC#N)CC2)CO1 1070976664 LQTRFMAQPMURNC-CHWSQXEVSA-N 308.382 -0.415 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CCC(=O)N2)C1 1071046340 ZIGVEHSYXBWWQZ-OLZOCXBDSA-N 321.377 -0.588 30 20 DBED C[C@H]1CN(C(=O)CNC(N)=O)C[C@@H]1NC(=O)c1cc(C#N)c[nH]1 1071572847 AWTJMYCPQWSFHB-KWQFWETISA-N 318.337 -0.869 30 20 DBED CC(C)C#CC(=O)N1C[C@H](C)[C@H](NC(=O)Cn2cnnn2)C1 1072035316 KEXWFQHXNIDVNM-NWDGAFQWSA-N 304.354 -0.704 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(C(=O)c2cc[nH]c2)C[C@H]1C 1072257538 OOQMHQVSBPLKHT-DGCLKSJQSA-N 316.361 -0.269 30 20 DBED CC#CCCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)Cn2cnnn2)C1 1072553947 BNQGAERTJBUKEF-OLZOCXBDSA-N 318.381 -0.170 30 20 DBED CCNC(=O)CC(=O)N1CCC(O)(CNC(=O)[C@@H](C)C#N)CC1 1074555912 NFXYBHDANZDPDJ-NSHDSACASA-N 324.381 -0.858 30 20 DBED C=CCCC(=O)N[C@@H](C)CCNC(=O)CC[C@H]1NC(=O)NC1=O 1076449027 PCGWEBOUJOTPSJ-WDEREUQCSA-N 324.381 -0.048 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CN(Cc3ncccn3)C[C@H]2O)[nH]1 1076898414 HYAPNZQNJCGTGW-CHWSQXEVSA-N 312.333 -0.349 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN([C@H]3CCNC3=O)C[C@H]2O)cc1 1077493736 IQAFCNAMMKXTCX-QLFBSQMISA-N 313.357 -0.669 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3nnn(C)c3C2)C1 1077576480 PIRPGBIINWFMIY-MPKXVKKWSA-N 305.382 -0.733 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCCS(=O)(=O)C2)C1 1077958943 VDSGXXDCBKDNFM-YNEHKIRRSA-N 316.423 -0.451 30 20 DBED COCC(=O)N(C)CC(=O)N[C@@H](C)CCNC(=O)[C@H](C)C#N 1078134548 BXFIWYFAYDIYPN-MNOVXSKESA-N 312.370 -0.738 30 20 DBED CCN(C(=O)C[C@H]1CC(=O)NC1=O)C1CN(C(=O)[C@H](C)C#N)C1 1080071639 DADFKEXNBOXOAK-NXEZZACHSA-N 320.349 -0.742 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CO)(NC(=O)C2=CCOCC2)CC1 1080826842 YMLNETGZVXNBDR-GFCCVEGCSA-N 321.377 -0.038 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cnccn2)C1 1081205103 OWNSFTSZTUHWEJ-WCQYABFASA-N 304.350 -0.008 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)c2nccnc2N)C[C@@H]1O 1081332546 HKSOLTYUFSXOMV-MNOVXSKESA-N 319.365 -0.426 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2ccn(C)n2)C[C@@H]1O 1081347226 SMHVDZLXVAESCV-AAEUAGOBSA-N 322.365 -0.828 30 20 DBED C=C(C)CCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)Cn2nccn2)C1 1081519825 LHQZJTSBXSCYDC-QWHCGFSZSA-N 321.381 -0.430 30 20 DBED C#CCCN1C[C@@H](NC(=O)c2cc(=O)n(C)cn2)[C@H](OC)C1 1081808147 AOHLXDWSTXRURH-CHWSQXEVSA-N 304.350 -0.767 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2cccc3c2OCCO3)C1 1083505686 XZQCMDBNSJKWNR-OLZOCXBDSA-N 302.330 -0.134 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCCC(=O)N2C)C1 1084009395 MQESBUOLNBKHCC-WOPDTQHZSA-N 315.801 -0.089 30 20 DBED C#CCCN1CC[C@@H]2CN(C(=O)c3cn(C)c(=O)cn3)[C@@H]2C1 1084532867 SKRRSOOOLFYZOJ-TZMCWYRMSA-N 300.362 -0.050 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H]1CCN1Cc1nnnn1C 1085823061 YRRLDRYYEHGPSI-XQQFMLRXSA-N 320.397 -0.166 30 20 DBED C=CCN1CC[C@@H](NC(=O)c2ccn(CCN(C)C)n2)[C@H](O)C1 1090271463 IODIIQJPHLCALF-UKRRQHHQSA-N 321.425 -0.204 30 20 DBED CC#CCN1CC[C@H](NC(=O)Cc2cn(C)nc2C)[C@H](O)C1 1090331581 LOGBOGHXGPVYGO-LSDHHAIUSA-N 304.394 -0.154 30 20 DBED C=CCCC(=O)N[C@@H]1CN(c2ccnc(C(=O)OC)n2)C[C@H]1O 1090394587 NFKZPYYPAKWLOY-GHMZBOCLSA-N 320.349 -0.105 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(c2ncccn2)C[C@H]1OC 1090922078 WZNNCFRINZFVQZ-JHJVBQTASA-N 304.350 -0.165 30 20 DBED C=C(C)CN1C[C@@H]2CN(C(=O)C[C@@H]3NC(=O)NC3=O)C[C@]2(C)C1 1091748692 VNACMEYPOZFLCL-WQGACYEGSA-N 320.393 -0.059 30 20 DBED Cc1cc(C#N)nc(NCCNC(=O)[C@@H]2CN(C)CCO2)n1 1093543018 AAUCXDCSSSUDLE-LBPRGKRZSA-N 304.354 -0.485 30 20 DBED N#Cc1nc(=NCCNC(=O)c2ccc3nc(O)[nH]c3n2)cc[nH]1 1094070736 RHAWSNKKULDPFK-UHFFFAOYSA-N 324.304 -0.411 30 20 DBED Cc1cc(C#N)nc(NCCCNC(=O)[C@H](C)NC(N)=O)n1 1094379486 NYKSSBXARWXAOI-VIFPVBQESA-N 305.342 -0.368 30 20 DBED CN(C)CCOCC(=O)NCCCNc1cncc(C#N)n1 1094502804 BAVDHQGHCIFGAS-UHFFFAOYSA-N 306.370 -0.155 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)c3cc(C)ncn3)CC2=O)C1 1094726107 FNGKBYZKIBVTND-LBPRGKRZSA-N 313.361 -0.567 30 20 DBED CC#CCN1CC(N2C[C@@H](NC(=O)[C@@H]3[C@H]4COC[C@H]43)CC2=O)C1 1094771863 MLALGAVYMRDREU-YYWXWVFPSA-N 317.389 -0.697 30 20 DBED Cn1cc(C(=O)NCCCNc2cnc(C#N)cn2)ncc1=O 1094903644 XWMBLPNKRBOHJV-UHFFFAOYSA-N 313.321 -0.326 30 20 DBED N#Cc1cnc(N[C@@H]2CCN(C(=O)C(=O)NCC(F)F)C2)cn1 1095071903 YCJPENLOZXAXMC-MRVPVSSYSA-N 324.291 -0.258 30 20 DBED C=CCOCC(=O)N[C@H]1CCCN(c2nccn3nnnc23)C1 1096156234 QXILXTHZHVOYPG-NSHDSACASA-N 317.353 -0.193 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CCN(c2ncnc3c2nnn3C)C1 1096338026 HZLJEKZTBDLHHK-DTWKUNHWSA-N 300.326 -0.387 30 20 DBED CCC(=O)N[C@@H](C)C(=O)N[C@H]1CCN(c2cnc(C#N)cn2)C1 1096495817 STSHGYMJWVBYOP-QWRGUYRKSA-N 316.365 -0.042 30 20 DBED CC(=O)N[C@@H](C)C(=O)N1CC[C@H](CN=c2cc[nH]c(C#N)n2)C1 1098495892 FAKUTSOINNUAPD-CMPLNLGQSA-N 316.365 -0.445 30 20 DBED C=CCNCc1cn([C@@H]2CCN(C(=O)[C@H](C)NC(C)=O)C2)nn1 1098608251 QYIUEXCFIOQOKZ-SMDDNHRTSA-N 320.397 -0.148 30 20 DBED C[C@@H](CCNC(=O)[C@@H]1CCC(=O)N1)Nc1nccnc1C#N 1099362449 XLHSIQRWCPMVQE-UWVGGRQHSA-N 302.338 -0.066 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CCN(CCC(=C)C)C[C@H]1O 1099788992 KDVYKYYSBRPFKG-UONOGXRCSA-N 307.394 -0.357 30 20 DBED C=CCCN1CC[C@H](NC(=O)CN(C)C(=O)C2CC2)[C@@H](O)C1 1099865070 YLGZJDLYKKQOJM-KBPBESRZSA-N 309.410 -0.018 30 20 DBED CC#CCN1CC[C@@H](NC(=O)COCc2nccn2C)[C@@H](O)C1 1099888327 TTXHREFRCCOXJY-KGLIPLIRSA-N 320.393 -0.489 30 20 DBED CN1CCO[C@H](C(=O)NCCN(C)c2ccc(C#N)nn2)C1 1099996604 KQFQOMNCRAQACR-LBPRGKRZSA-N 304.354 -0.769 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)Cc2ccco2)[C@@H](O)C1 1100041558 KYDQVVNPLKYCBZ-KGLIPLIRSA-N 321.377 -0.324 30 20 DBED C=CCN1CC[C@@H](NC(=O)COC2CCN(C)CC2)[C@@H](O)C1 1100056520 WACIGWDQRVPGEN-CABCVRRESA-N 311.426 -0.165 30 20 DBED C=C(C)CCN1CC[C@@H](NC(=O)CS(=O)(=O)NC)[C@H](O)C1 1100117038 AUVMWSLKYRMWSH-VXGBXAGGSA-N 319.427 -0.947 30 20 DBED C=CCCOCC(=O)N[C@@H]1CCN(Cc2cnnn2C)C[C@@H]1O 1100139658 VFUBEGGIQVDPBD-KGLIPLIRSA-N 323.397 -0.541 30 20 DBED CN(CCNC(=O)CCN1CCCC1=O)c1cncc(C#N)n1 1100140201 GCLWJQTWSSBYSI-UHFFFAOYSA-N 316.365 -0.087 30 20 DBED CN(CCNC(=O)c1ccc(C(N)=O)o1)c1ccnc(C#N)n1 1100412005 DRJDCKUNOJOBLQ-UHFFFAOYSA-N 314.305 -0.094 30 20 DBED N#Cc1nccc(N2CC[C@H](CNC(=O)Cn3cncn3)C2)n1 1100982109 SWEVDDAZWOHHFK-LLVKDONJSA-N 312.337 -0.418 30 20 DBED CCCN(CCNC(=O)[C@H]1COC(=O)N1)c1cncc(C#N)n1 1101132509 PXGKBZCIWYRNOD-LLVKDONJSA-N 318.337 -0.211 30 20 DBED CCCN(CCNC(=O)C1(C(N)=O)CC1)c1nccnc1C#N 1101229654 CNNAOYKEGRYUHD-UHFFFAOYSA-N 316.365 -0.054 30 20 DBED CN1CCO[C@H](C(=O)N(C)CCNc2cnc(C#N)cn2)C1 1101538253 OWDWSEFCUZCKAO-LBPRGKRZSA-N 304.354 -0.451 30 20 DBED C=CCN1CC2(C[C@@H](NC(=O)CNC(=O)OC)c3nccn32)C1 1101608831 MNYBNDHSJRDWLJ-LLVKDONJSA-N 319.365 -0.003 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)CCCC(N)=O)c3nccn32)C1 1101654394 QPHPLQSHRKAKTD-LLVKDONJSA-N 316.365 -0.366 30 20 DBED C[C@@H](C(=O)N(C)CCN=c1cc[nH]cc1C#N)N1CCOCC1 1101681311 CMMQKQNURSYUPN-ZDUSSCGKSA-N 317.393 -0.034 30 20 DBED CN(CCNc1cncc(C#N)n1)C(=O)c1cccn2nnnc12 1101789656 KOKMKFRDACEQLW-UHFFFAOYSA-N 323.320 -0.030 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1CNC(=O)CCCN(C)C 1102290732 SQJDWSKOXDSBFW-ZIAGYGMSSA-N 323.441 -0.348 30 20 DBED C=CCN1C[C@@H](C)[C@H](CNC(=O)Cn2nc(C)n(C)c2=O)C1 1102540327 JTWZBYGTVLIJGU-DGCLKSJQSA-N 307.398 -0.240 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CCN(c2ccc3nnnn3n2)C1 1102701600 FPJIUZKBDUXGHG-UWVGGRQHSA-N 300.326 -0.284 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)[C@H]1CCC(=O)N1 1104495885 CRQNDRZMJFFJFD-VHSXEESVSA-N 302.338 -0.692 30 20 DBED C=C(C)C[C@H](C)C(=O)N1CC(n2cc(CNCC(N)=O)nn2)C1 1105309917 IDBGROFVKLWYDO-NSHDSACASA-N 320.397 -0.161 30 20 DBED C=CCCNCc1cn(C2CN(C(=O)[C@@H](COC)OC)C2)nn1 1105324088 RBVGUZZYEUWPSQ-CQSZACIVSA-N 323.397 -0.012 30 20 DBED CC(=O)CCCC(=O)NC[C@@H](O)CNc1ccc(C#N)nn1 1105719768 LYBVGZKXEWWGRG-LBPRGKRZSA-N 305.338 -0.003 30 20 DBED CCOCCC(=O)NC[C@@H](O)CNc1nc(C)cc(C#N)n1 1105741518 HFVSDVFAYARDTE-GFCCVEGCSA-N 307.354 -0.028 30 20 DBED N#Cc1cccnc1NC[C@H](O)CNC(=O)[C@H]1CCC(=O)N1 1105749481 BNGDZFQVPBZRHQ-WDEREUQCSA-N 303.322 -0.879 30 20 DBED CN1CCO[C@H](C(=O)NC[C@H](O)CNc2ccc(C#N)cn2)C1 1105769939 RJYVCBYLUZQOOP-OLZOCXBDSA-N 319.365 -0.827 30 20 DBED N#Cc1cccnc1NC[C@@H](O)CNC(=O)CC1OCCCO1 1105810112 NYFFQIVMGFQASF-LBPRGKRZSA-N 320.349 -0.005 30 20 DBED C[C@@H](C(=O)NC[C@H](O)CNc1ccc(C#N)nc1)n1cncn1 1105829495 TYDQTLVQEHAXRU-GXFFZTMASA-N 315.337 -0.305 30 20 DBED Cc1cc(C#N)nc(NC[C@H](O)CNC(=O)Cc2cnoc2)n1 1106070207 MEUTVGOCJNWGTC-GFCCVEGCSA-N 316.321 -0.224 30 20 DBED N#Cc1cccnc1NC[C@@H](O)CNC(=O)[C@@H]1CCC(=O)NC1 1106170443 SEJFPORJKFGWBU-VXGBXAGGSA-N 317.349 -0.632 30 20 DBED CCN(CCNc1ccc(C#N)cn1)C(=O)Cn1cnnn1 1106679502 KOYPZITYOXEKEB-UHFFFAOYSA-N 300.326 -0.100 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)[C@@H]1CC(=O)N(C)C1 1106977705 CTMGZKITSNZJNA-LLVKDONJSA-N 316.365 -0.491 30 20 DBED C#CCN1CC[C@@]2(CNC(=O)C[C@@H]3NC(=O)NC3=O)CCC[C@@H]12 1107439897 YXTABZSGWBRLKX-HWWQOWPSSA-N 318.377 -0.422 30 20 DBED N#Cc1ccc(NC/C=C\CNC(=O)[C@@H]2CC[C@@H]2C(N)=O)nn1 1107450714 GEUDJHGGAVZKJU-YSPFUZRBSA-N 314.349 -0.056 30 20 DBED N#Cc1cnc(NC/C=C\CNC(=O)[C@H]2CCNC2=O)cn1 1107452759 ULJHWCHKOVDGPS-RFMOXSJOSA-N 300.322 -0.431 30 20 DBED CCN1CCOC[C@H]1C(=O)N[C@H](C)CNc1cnc(C#N)cn1 1107994711 NDDANIGWWQSVQG-YPMHNXCESA-N 318.381 -0.014 30 20 DBED CC#CCN1CCO[C@@](C)(CNC(=O)c2ccc(C(N)=O)[nH]2)C1 1108219708 JEXDIHRSERLXMC-INIZCTEOSA-N 318.377 -0.042 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)c2ccc(=O)n(C)n2)C1 1108382974 SLNGTMOXZQPCMQ-HNNXBMFYSA-N 304.350 -0.766 30 20 DBED N#CCN1CC(N2C[C@H](NC(=O)CCn3cccn3)CC2=O)C1 1108506033 JDNYQAJJKBLWDA-GFCCVEGCSA-N 316.365 -0.802 30 20 DBED C#CCCN1CC(N2C[C@H](NC(=O)C[C@@](C)(O)C=C)CC2=O)C1 1108539068 UXIBYTLWCYIOSP-DYVFJYSZSA-N 319.405 -0.262 30 20 DBED Cc1ccc(C#N)c(N(C)C[C@H](C)NC(=O)Cn2cnnn2)n1 1108851124 USKCIHOSVQEENL-NSHDSACASA-N 314.353 -0.111 30 20 DBED C[C@H](NC(N)=O)C(=O)N[C@H](C)CN(C)c1ccc(C#N)cn1 1108915567 OYPZNLWSLURICZ-ZJUUUORDSA-N 304.354 -0.049 30 20 DBED CN1CCO[C@H](C(=O)N(C)CCCNc2ccc(C#N)nn2)C1 1109418715 CTWXBGBZWYHNKG-ZDUSSCGKSA-N 318.381 -0.061 30 20 DBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H](C)CC(N)=O 1109597843 YMZCAFVBFCHFIS-NDBYEHHHSA-N 322.409 -0.478 30 20 DBED Cn1nnc(C(=O)N[C@@H](CNc2nccnc2C#N)C2CC2)n1 1109967716 ZXMDFHBQQZKVLT-JTQLQIEISA-N 313.325 -0.508 30 20 DBED CC(=O)N[C@H](C)C(=O)N1CCC[C@H]1CN=c1cc[nH]c(C#N)n1 1110526962 FZYBGYWNJVRJSJ-PWSUYJOCSA-N 316.365 -0.302 30 20 DBED CC(C)C#CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2[C@@H](C)C(=O)NC(N)=O 1110539152 HKNSYKNQIQRXIC-LOWDOPEQSA-N 320.393 -0.049 30 20 DBED CO[C@H](C)C(=O)NC[C@@]1(O)CCN(c2cnc(C#N)cn2)C1 1111025850 LDRLTWYHTQJGFC-YGRLFVJLSA-N 305.338 -0.559 30 20 DBED CN1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCC#N)C1 1111406038 PPSQLEZJRSUHRD-SYQHCUMBSA-N 319.409 -0.701 30 20 DBED N#Cc1cncc(NC2(CNC(=O)[C@H]3CCNC3=O)CCC2)n1 1111880511 CQCLOYFRURSOAH-NSHDSACASA-N 314.349 -0.065 30 20 DBED C=CCOCC(=O)N1C[C@H](C)[C@H](Nc2ccc3nnnn3n2)C1 1112310939 VKCFSHHPKBCWGE-WDEREUQCSA-N 317.353 -0.019 30 20 DBED CSCC(=O)NC[C@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1112697044 JNFKRMTXOWKBBG-UWVGGRQHSA-N 307.379 -0.375 30 20 DBED C#CCNC(=O)CC(=O)N1CCN(C[C@H]2CC[C@@H](C)O2)CC1 1112777741 KOKNHRLVXDOASB-ZIAGYGMSSA-N 307.394 -0.162 30 20 DBED CNC(=O)CCCC(=O)N[C@H](C)[C@@H](C)N=c1cc[nH]c(C#N)n1 1112978016 JDHPPTTWGWGDMZ-GHMZBOCLSA-N 318.381 -0.008 30 20 DBED C[C@H](CNC(=O)CCn1cncn1)N(C)c1cncc(C#N)n1 1113493194 VTPOJTGWMOXYTA-LLVKDONJSA-N 314.353 -0.029 30 20 DBED C#CCCN1CCN(C(=O)CCS(=O)(=O)N(C)C)CC1 1113674635 CMHDCIGDNGKCPS-UHFFFAOYSA-N 301.412 -0.565 30 20 DBED Cn1cccc1C(=O)NC1[C@H]2CN(CC(=O)NCC#N)C[C@H]12 1113861114 UZDMEIFOKVZQSM-QWRGUYRKSA-N 301.350 -0.675 30 20 DBED C[C@H]1CCN(c2cnc(C#N)cn2)C[C@H]1NC(=O)CC(N)=O 1114007010 BXDYIZRKSCDMIE-GXSJLCMTSA-N 302.338 -0.445 30 20 DBED C=C[C@](C)(O)CC(=O)NC1[C@@H]2CN(CCN3CCCC3=O)C[C@@H]12 1114189233 LCOWMHJTGQZKPD-XNJGSVPQSA-N 321.421 -0.018 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)c3ncc(OC)cn3)[C@@H]2C1 1114543078 OJGUKJFFVLYFTM-CHWSQXEVSA-N 316.361 -0.205 30 20 DBED C[C@H](CN(C)C(=O)[C@H]1COC(=O)N1)Nc1cnc(C#N)cn1 1115702252 DMJOQDCTSVDXRO-PSASIEDQSA-N 304.310 -0.285 30 20 DBED C[C@@H](CNC(=O)C(=O)Nc1cnn(CC#N)c1)N(C)C1CC1 1116337710 QRXUHAJNKXKUKB-JTQLQIEISA-N 304.354 -0.056 30 20 DBED C#CCNC(=O)C1CCN(C(=O)C(=O)N[C@@H](C=C)COC)CC1 1117580277 CEIYOXGHDDDMEY-ZDUSSCGKSA-N 321.377 -0.708 30 20 DBED C#CC1CCN(C(=O)C(=O)N[C@@H]2CCN(C(=O)CC)C2)CC1 1118221982 XRHAFCBIMVLCDH-CYBMUJFWSA-N 305.378 -0.015 30 20 DBED C[C@H](C(=O)NC[C@@H](CO)N=c1cc[nH]cc1C#N)n1cccn1 1121211862 ABARNWRNINITLA-YPMHNXCESA-N 314.349 -0.278 30 20 DBED C=CCn1c([C@@H](O)COC)nnc1N1CCN2C(=O)NC[C@H]2C1 1121732580 OZAVSTRDLVSSFW-QWRGUYRKSA-N 322.369 -0.642 30 20 DBED CCn1ccc(C(=O)NC[C@@H](CO)Nc2ccc(C#N)nn2)n1 1122053531 ZNYQCLAQVWYWPU-NSHDSACASA-N 315.337 -0.233 30 20 DBED COCCc1nc(CNCCNC(=O)c2ccc(C#N)[nH]2)no1 1125783820 UOWBINYDYGBRMP-UHFFFAOYSA-N 318.337 -0.022 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)CCc1ccncn1 1128431398 BJHLUGZKDHUBCB-GFCCVEGCSA-N 303.366 -0.747 30 20 DBED N#CCN[C@@H]1CN(C(=O)CSCC#N)C[C@@H]1n1ccnn1 1129608772 YIVVLBMSTDKLFS-MNOVXSKESA-N 305.367 -0.600 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@H]1CCCn2nccc21 1130437729 NOSYXEMGWCPWAA-LBPRGKRZSA-N 305.382 -0.232 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)CCC(=O)NCC)C[C@@]3(C1)O2 1131197067 FHXAUYVUKKTODY-CKEIUWERSA-N 319.405 -0.162 30 20 DBED C[C@H]1CC[C@@H](NC(=O)c2ccon2)CN1CC(=O)NCC#N 1131843063 DPSXWDXDLRJCAN-WDEREUQCSA-N 305.338 -0.103 30 20 DBED C#CCNC[C@H]1CN(C(=O)CN2CC(=O)N(C)C2=O)CC[C@H]1C 1133249685 IZQNMPQPHAPPCP-OLZOCXBDSA-N 320.393 -0.412 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CCCCC(=O)N1 1133694702 WXSHWXFBFCMXAJ-RYUDHWBXSA-N 310.398 -0.558 30 20 DBED Cc1cc(C(=O)N[C@H](C)C[C@@H](C)NCC(=O)NCC#N)n(C)n1 1133880522 KJBJNDZNJNIEMI-GHMZBOCLSA-N 320.397 -0.145 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)C[C@H](C)NCc1nncn1C 1134131015 PKQVTIILIMXQPZ-NWDGAFQWSA-N 320.397 -0.673 30 20 DBED COc1cc(C(=O)NCCNCC(=O)NCC#N)ccc1F 1134181074 LSEYQCYOIALPQA-UHFFFAOYSA-N 308.313 -0.207 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)c1ncn(C)n1 1134260181 IMJHTFKFKNSOOX-MNOVXSKESA-N 306.370 -0.949 30 20 DBED C=CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)c1cncnc1O 1134721666 JIZRYUZSLULDBU-MNOVXSKESA-N 321.381 -0.029 30 20 DBED CN1C(=O)C[C@H](C(=O)NCCNCC#N)[C@H]1c1cccnc1 1135114837 PSZSHYBPAQDXHL-GXTWGEPZSA-N 301.350 -0.170 30 20 DBED C=CCOCCNCCNC(=O)c1cnn(CCN(C)C)c1 1135117939 CVINMAWFOBFHMH-UHFFFAOYSA-N 309.414 -0.033 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)Cc1nonc1C 1135823438 AVAQQKCIUVDVAF-WDEREUQCSA-N 321.381 -0.457 30 20 DBED N#CCNC(=O)CN1CCC2(C1)CN(C(=O)c1cnccn1)C2 1146914387 LEZNSLYCHGQDDA-UHFFFAOYSA-N 314.349 -0.736 30 20 DBED C#CCO[C@H](C)C(=O)N1CC2(CCN(CC(=O)N(C)C)C2)C1 1147530097 GGYSQHFCEWWWDG-CYBMUJFWSA-N 307.394 -0.353 30 20 DBED COCCC1(NC(=O)CCn2cnnn2)CCN(CC#N)CC1 1151367536 JUSAWGAEDYRVFN-UHFFFAOYSA-N 321.385 -0.426 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1cccc2nc(O)oc12 1153911485 QPCIXMHBCJFDTP-UHFFFAOYSA-N 317.305 -0.507 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)NCCCNC(=O)C(F)F 1154059340 GUHJNSVIVYQPND-QMMMGPOBSA-N 306.313 -0.252 30 20 DBED C=C[C@](C)(O)CC(=O)NCCCNCCCS(C)(=O)=O 1157202591 UYBHMGDCDRZAST-ZDUSSCGKSA-N 306.428 -0.156 30 20 DBED C#CCO[C@@H](C)C(=O)NCCCNC[C@@H](C)CS(C)(=O)=O 1157880581 RUTMUGNLNBFBJL-OLZOCXBDSA-N 318.439 -0.199 30 20 DBED C=C(Cl)CNCCCNC(=O)CN1CCCS1(=O)=O 1159368446 IRKMYMGNSJCMTP-UHFFFAOYSA-N 309.819 -0.130 30 20 DBED COCC#CCNCCCNC(=O)[C@H]1CCCc2nn[nH]c21 1165277105 GEHKIIIPPXJASO-LBPRGKRZSA-N 305.382 -0.030 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NCCCNC[C@@H](O)COC 1167667259 HMPZVEHMDRJLDN-KGLIPLIRSA-N 315.414 -0.440 30 20 DBED C=C(C)CN1CCO[C@@H]2CCN(C(=O)CCNC(N)=O)C[C@@H]21 1177144215 LRFQUAOBXGYOLK-QWHCGFSZSA-N 310.398 -0.077 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)C2CC2)C1 1180587995 XFRYWQGGJYRAKR-ZYHUDNBSSA-N 308.382 -0.013 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2ccnnc2)C1 1185881773 ORTYLSZPDCFJHF-WCQYABFASA-N 301.350 -0.581 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)[C@H]3CCCCO3)[C@@H]2C1 1187523328 POADAEZKOUHJLN-RRFJBIMHSA-N 319.405 -0.162 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@H]1CCN(C(=O)CC(C)(C)O)C1 1189893155 JMKBRNWKAGUAEH-STQMWFEESA-N 309.410 -0.182 30 20 DBED C=C(C)C(C)(C)C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1O 1195255595 VZXQMCIEKGHFPQ-VXGBXAGGSA-N 308.382 -0.610 30 20 DBED C[C@H](C(=O)N1CCCN(CC(=O)NCC#N)CC1)n1cncn1 1195513918 CCEWOWGJJOCTHM-GFCCVEGCSA-N 319.369 -0.987 30 20 DBED C[C@@H]1OCCC[C@H]1C(=O)N1CCCN(CC(=O)NCC#N)CC1 1195659595 IERIPPPWUNCYHJ-UONOGXRCSA-N 322.409 -0.024 30 20 DBED C=CCOCC(=O)N1CCCO[C@H](CNCC(=O)N(C)C)C1 1200109437 SVBLWULDNHMIPV-CYBMUJFWSA-N 313.398 -0.516 30 20 DBED C[C@H](C#N)C(=O)N1CCCO[C@@H](CNCC(=O)N(C)C2CC2)C1 1200114113 AQALBXMBKVDGPJ-OCCSQVGLSA-N 322.409 -0.026 30 20 DBED CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CCCO[C@@H](CNCC#N)C1 1201411455 QYJDJLFUGZBCRB-XQQFMLRXSA-N 308.382 -0.559 30 20 DBED C#CCNC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C)C2)CCCO1 1201824128 PSGPJIPIEVYUIM-ZIAGYGMSSA-N 307.394 -0.305 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)c1ccnc(O)c1 1206867186 OMUQODCYCPAQIV-ZYHUDNBSSA-N 317.349 -0.523 30 20 DBED C#CCN[C@@H]1CCCN(C(=O)CS(=O)(=O)CCOC)C1 1208435891 QEFGRMOPGJIKNG-GFCCVEGCSA-N 302.396 -0.739 30 20 DBED C#CCCN[C@H]1CCCN(C(=O)CC[C@@H]2NC(=O)NC2=O)C1 1210982996 BOKULDCELWUKEW-RYUDHWBXSA-N 306.366 -0.422 30 20 DBED CN1CC[C@@H](C(=O)N2CCC[C@H](NCC(=O)NCC#N)C2)C1 1211065514 WCGCUNGKCHSIGQ-OLZOCXBDSA-N 307.398 -0.842 30 20 DBED C#CCCN[C@@H]1CN(C(=O)C(C)(C)NS(C)(=O)=O)C[C@H]1C 1215836510 WQXDUQOKVCKSRO-VXGBXAGGSA-N 315.439 -0.226 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CN(Cc2nc(C(F)F)no2)C[C@@H]1O 1219379783 YXBYCVLAGYCGLH-PRJMDXOYSA-N 315.280 -0.172 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)C#CC(C)(C)C)C1 1219590150 YLGTZBVFMFBNDK-MJBXVCDLSA-N 321.421 -0.112 30 20 DBED CC(C)(C)CNC(=O)CN1C[C@H](O)[C@H](NC(=O)C#CC2CC2)C1 1219593478 UQVMCSRVMQVNAS-KGLIPLIRSA-N 321.421 -0.277 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)CN(C)C2CCC2)C1 1219813929 LJFPPJWRAMODTF-CABCVRRESA-N 309.410 -0.718 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)c2[nH]c(O)nc2C)C1 1219848218 KETLFQFHZHAXSM-MNOVXSKESA-N 310.354 -0.599 30 20 DBED C=CCCCN1C[C@H](O)[C@H](NC(=O)CCN2C(=O)CCC2=O)C1 1219969288 RQJVCMAZBVQDGC-OLZOCXBDSA-N 323.393 -0.347 30 20 DBED C=CCCCN1C[C@H](O)[C@H](NC(=O)CS(=O)(=O)C(C)C)C1 1220999774 SZSBLVQRPMRURU-OLZOCXBDSA-N 318.439 -0.063 30 20 DBED C#CCOCCC(=O)N1CC[C@H]2CCN(CCOCCO)[C@H]2C1 1222671318 YSUKMOSXVVPMLD-CVEARBPZSA-N 324.421 -0.042 30 20 DBED COCC#CCN1CCC(CNC(=O)c2cnnn2C)CC1 1223021614 WJFATONCDVSEAT-UHFFFAOYSA-N 305.382 -0.093 30 20 DBED C#CCN1CCC(CNC(=O)CCNS(C)(=O)=O)CC1 1223374646 RYIDNONGIFKVKP-UHFFFAOYSA-N 301.412 -0.613 30 20 DBED C#CCO[C@@H](C)C(=O)NC1CCN(Cc2cnnn2C)CC1 1227341778 BOYHQHIUNBQQCB-LBPRGKRZSA-N 305.382 -0.066 30 20 DBED C=CCCC(=O)NCC[C@H]1CN(CCO)CCS1(=O)=O 1230435961 KQPXSLQEQJXJLW-LBPRGKRZSA-N 304.412 -0.450 30 20 DBED C=CCNC(=O)[C@H](C)N1CC[C@H]1CN(C)C(=O)CN(C)C(C)=O 1230829048 HQQXSXYNGUIQAO-JSGCOSHPSA-N 324.425 -0.312 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@H]1CN(C)C(=O)CNC(=O)CC 1231271143 GTKLSKXSIZTPPZ-OLZOCXBDSA-N 322.409 -0.817 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)c1cn(C)cn1 1233611697 RTFXTQJXOMBEDS-GFCCVEGCSA-N 303.366 -0.684 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)CCO1 1261168923 FIPGQDFCXHSPLW-FDYHWXHSSA-N 319.361 -0.189 30 20 DBED Cc1c(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)cccc1C(N)=O 1318368586 KTZMLUDGIKSBQG-JTQLQIEISA-N 316.317 -0.217 30 20 DBED C#CCC[C@@H](O)CNC(=O)C1CCN(S(=O)(=O)NC)CC1 1323629458 LGQFQVVSNVHSDS-GFCCVEGCSA-N 317.411 -0.947 30 20 DBED CCO[C@@H]1C[C@H](NC(=O)C(=O)N2CCO[C@H](C#N)C2)[C@H]1OC 1323806625 IIQMNAWSCLBROH-WRWGMCAJSA-N 311.338 -0.954 30 20 DBED C[C@@H]1OCC[C@]1(O)CNC(=O)C(=O)Nc1cccc(C#N)n1 1326820182 IDTGIOHVPIJQFB-XPTSAGLGSA-N 304.306 -0.452 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)NCC1(SC)CC1 1327246968 BUEBUVIVMCRESQ-UHFFFAOYSA-N 320.436 -0.285 30 20 DBED CCCN1CC[C@@H](NC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)C1 1328583145 IHDWXOHSENNJKZ-DOMZBBRYSA-N 308.382 -0.536 30 20 DBED C[C@H]1COCCCN1C(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1329272867 KACWRPFPRSWVNF-JSGCOSHPSA-N 320.393 -0.177 30 20 DBED C#CCN1CCN(C(=O)c2cn(Cc3noc(C)n3)nn2)CC1 1332469878 LQGSEPUGFZGARR-UHFFFAOYSA-N 315.337 -0.591 30 20 DBED C#C[C@H](NC(=O)C(=O)Nc1cnc2ccnn2c1)[C@H]1CCCO1 1336673324 QIAVNIVWNUDXJW-NWDGAFQWSA-N 313.317 -0.035 30 20 DBED CC(C)OCCCNC(=O)[C@@H](C#N)C(=O)CS(C)(=O)=O 1342537851 NHWOKYLCSJVXOV-JTQLQIEISA-N 304.368 -0.329 30 20 DBED N#CCNC(=O)CNC(=O)C(=O)Nc1ccc2c(c1)OCCO2 1342537872 IEMHFRYESCWZBK-UHFFFAOYSA-N 318.289 -0.848 30 20 DBED N#CCNC(=O)CNC(=O)Cn1cnc2sccc2c1=O 1346132062 YIHCGDCZECGPRR-UHFFFAOYSA-N 305.319 -0.786 30 20 DBED CNC[C@H]1CCCN1C(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1348619476 XYJHOBHMDRAVCV-ZIAGYGMSSA-N 319.409 -0.604 30 20 DBED C=CCn1c(C[C@H](C)O)nnc1N(C)CC(=O)N1CCOCC1 1351703895 AQJGODWSNXRMFB-LBPRGKRZSA-N 323.397 -0.318 30 20 DBED C#CC[C@@H](CO)NC(=O)NC(c1nccn1C)c1nccn1C 1354183426 BTRYINKNFBIOIM-NSHDSACASA-N 316.365 -0.074 30 20 DBED COC(=O)C1(C#N)CCN(C(=O)[C@@H](C)S(C)(=O)=O)CC1 1361545690 HVGJMSCIANTGSI-SECBINFHSA-N 302.352 -0.275 30 20 DBED C[C@@H](C(=O)N1CCO[C@H](C#N)C1)S(=O)(=O)C1CCOCC1 1362126672 OOHBWEWODYRFGP-WDEREUQCSA-N 316.379 -0.280 30 20 DBED COC(=O)CC(C)(C)NC(=O)Cn1cc(C#N)c(O)nc1=O 1362257686 NULFGQKIEBGSOL-UHFFFAOYSA-N 308.294 -0.722 30 20 DBED CC(=O)NCC(=O)NC[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 1373137700 JPNLYQMDVRGSIN-LLVKDONJSA-N 317.349 -0.399 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(Cc2ncc(Cl)n2C)C1 1376150302 PVARUUFVHGLGBO-SECBINFHSA-N 311.773 -0.104 30 20 DBED C=C(Cl)CN1CCO[C@@H](CNC(=O)CNC(=O)NC)C1 1378655088 SXKSOFDWBONSFB-JTQLQIEISA-N 304.778 -0.515 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C(=O)C[C@H]1CCC(=O)N1)C1CC1 1387525037 AMPUXEARKJDGJN-WDEREUQCSA-N 306.366 -0.078 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)COCc2nncn2C)CC1 1393815030 FJWMOIGJOOWHTO-JTQLQIEISA-N 320.353 -0.744 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@@H]1CCN(C(=O)CN2CCCC2=O)C1 1396776608 RRTZBFGBULJGQR-VXGBXAGGSA-N 306.366 -0.172 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1cnc(C2CC2)o1 1399874792 WPXSOIVHYKPNHH-SCZZXKLOSA-N 306.322 -0.081 30 20 DBED COCCN(CCNC(=O)[C@@H](C)C#N)C(=O)C[C@@H]1CCC(=O)N1 1405769451 LWKFITFSWHZGIK-RYUDHWBXSA-N 324.381 -0.594 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CCN(C(=O)c2ccc(C(N)=O)[nH]2)C1 1407548159 FHHMBGAJPBAWMJ-BDAKNGLRSA-N 303.322 -0.396 30 20 DBED C[C@H](CNC(=O)CN1CCCNC1=O)CNC(=O)[C@@H](C)C#N 1409719308 PPGVKFGIJIVMLB-MNOVXSKESA-N 309.370 -0.570 30 20 DBED CCc1ncncc1C(=O)N(C)C[C@H](O)CNC(=O)[C@@H](C)C#N 1413264569 KOCAPNLADAKTQO-WDEREUQCSA-N 319.365 -0.252 30 20 DBED C[C@@H](CNC(=O)Cn1ccccc1=O)N(C)C(=O)[C@H](C)C#N 1442732802 GFNIMZYQXVOBKL-NEPJUHHUSA-N 304.350 -0.029 30 20 DBED COCc1ccc(C(=O)NC[C@@H](O)CNC(=O)[C@@H](C)C#N)o1 1452383364 KHANVVLHIWOXSU-UWVGGRQHSA-N 309.322 -0.207 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)Cn1cnnn1 1452797156 QITPBNBCKUCNNY-GMTAPVOTSA-N 305.342 -0.624 30 20 DBED Cc1cnc(CNC[C@@H](O)CNC(=O)c2cc(C#N)c[nH]2)cn1 1482718726 PLWHGEREZZQMEV-CYBMUJFWSA-N 314.349 -0.135 30 20 DBED N#CCNC(=O)CN1CC[C@@H](NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 1490550873 NZAXOUDPSGGZPM-SFDCQRBFSA-N 320.393 -0.368 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H]1CNC(=O)CNC(=O)C1CC1 1497029639 POMAYOSMSRSLOC-PWSUYJOCSA-N 306.366 -0.221 30 20 DBED CON=CC(=O)N1CC(N2CCO[C@H](c3nc(C)no3)C2)C1 1549754876 OESQIAOVBIPAHP-NSHDSACASA-N 309.326 -0.406 30 20 DBED C=CC1(CC(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)CNC1 1574881016 XGVANEZXGZSZMB-LLVKDONJSA-N 301.412 -0.308 30 20 DBED CN(C(=O)NCCN/C(O)=C1\N=CC=CC1=O)C1[C@@H]2CNC[C@@H]12 1578382708 DHKRDIHVPNHYSR-UFLFEFRISA-N 319.365 -0.628 30 20 DBED CS(=O)(=O)CC[C@H](N)C(=O)N[C@@H](CC#N)C(F)(F)F 1579339891 NRQINNLHHQGTCN-BQBZGAKWSA-N 301.290 -0.291 30 20 DBED N#Cc1ncc(N[C@@H](CO)[C@H]2CCCOC2)nc1-c1nn[nH]n1 1581882494 AUBDEBZTGCVMMU-WPRPVWTQSA-N 316.325 -0.272 30 20 DBED C#CC1(O)CN(c2ccc(C(=O)OC)nc2-c2nn[nH]n2)C1 1588333540 WDXJABIJZCLBHH-UHFFFAOYSA-N 300.278 -0.767 30 20 DBED C#CCN(CC#CC)S(=O)(=O)c1cccnc1-c1nn[nH]n1 1588350373 REQCCWCJWPLUTB-UHFFFAOYSA-N 316.346 -0.091 30 20 DBED C#C[C@H]1CCCN(C(=O)C(=O)N(CCOC)CCC(=O)O)C1 1588386680 UMZLYJTZMKKQKB-LBPRGKRZSA-N 310.350 -0.192 30 20 DBED C=CCNCCN(CCO)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 1588664492 ZVTSWHOMJGLUMZ-UHFFFAOYSA-N 305.342 -0.595 30 20 DBED C=CCCOCC(=O)NCC1CN(C(=O)[C@@H]2C[C@@H]2C(=O)O)C1 1588810572 YJRVFMZPPBXSNF-NEPJUHHUSA-N 310.350 -0.126 30 20 DBED C=CCN1CC[C@H](N(C)S(=O)(=O)N(C)CCC(=O)O)C1=O 1588839470 RZMQSLWVUSFJNL-JTQLQIEISA-N 319.383 -0.644 30 20 DBED N#CC[C@]1(O)CCN(C(=O)Cn2cccc(C(=O)O)c2=O)C1 1601062272 GVRVBKOEQJMYKP-AWEZNQCLSA-N 305.290 -0.576 30 20 DBED O=C(O)[C@@H]1C[C@H]1C(=O)N[C@H]1[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]21 1601779861 JFJVFAXEVIDJJT-SSKLVLDBSA-N 302.330 -0.307 30 20 DBED C#CCN(CC(=O)O)c1nnnn1Cc1cccn(CC)c1=O 1602701136 YAGCJGYRTQVXJX-UHFFFAOYSA-N 316.321 -0.573 30 20 DBED N#Cc1cc(C(=O)N2CC(CNC(=O)[C@H]3C[C@H]3C(=O)O)C2)c[nH]1 1608194112 QCYWZTDQGJPKJL-NWDGAFQWSA-N 316.317 -0.205 30 20 DBED C[C@H]1[C@H](C(=O)O)CCN1C(=O)C(=O)Nc1cnn(CC#N)c1 1609838147 XRVWOBXAEPJCHL-WCBMZHEXSA-N 305.294 -0.333 30 20 DBED COC(=O)Cn1cc(CCOC(=O)C2(C#N)CCOCC2)nn1 1649725977 RQNIGXPGDXEVDD-UHFFFAOYSA-N 322.321 -0.143 30 20 DBED CC#CCN(C)CCCNC(=O)CN1CCCCS1(=O)=O 1752023930 WXARMAIQJYWULY-UHFFFAOYSA-N 315.439 -0.127 30 20 DBED C#CCN1CCN(CCNC(=O)COCc2ccncc2)CC1 1752374618 KTXDSKHOKATOKK-UHFFFAOYSA-N 316.405 -0.035 30 20 DBED COCC#CCN[C@@H](C)CNC(=O)Cc1c(C)nc(O)nc1O 1752908137 DWWSHEYKELDQCL-JTQLQIEISA-N 322.365 -0.517 30 20 DBED COCC#CCN1C[C@@H]2C[C@H]1CN2C(=O)CNC(=O)C1CC1 1753416550 HJAZTAMIAIWDHW-KBPBESRZSA-N 305.378 -0.553 30 20 DBED C#CCNC(=O)[C@@H](C)NCC[C@@H](C)NC(=O)c1ncccn1 1754008154 ASXSZBBHXJZQEX-VXGBXAGGSA-N 303.366 -0.288 30 20 DBED C[C@@H](CN(C)CC(=O)NCC#N)NC(=O)[C@@H]1CCO[C@H]1C1CC1 1754319653 WDLIXLJREGZNHJ-LNSITVRQSA-N 322.409 -0.122 30 20 DBED C#CCCN1CC[C@@](O)(CNC(=O)[C@]2(C)CCN(C(C)=O)C2)C1 1754761542 YTNFLXTVHPFWIX-IAGOWNOFSA-N 321.421 -0.179 30 20 DBED C=CCOCCN1CC(O)(CNC(=O)[C@@H](C)n2cncn2)C1 1754773993 JGZJHJNHKXMQEO-GFCCVEGCSA-N 309.370 -0.795 30 20 DBED C[C@H](CC(=O)NCC1(O)CN(CC(=O)NCC#N)C1)C1CC1 1754778687 GGIJRBAMVIUWDJ-LLVKDONJSA-N 308.382 -0.775 30 20 DBED C#CCNCC[C@@H]1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)C1 1754935042 GBNJZNMCHFKBRN-CYBMUJFWSA-N 318.377 -0.612 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC2(C[C@H](NC(=O)C(F)F)CO2)C1 1755056350 ALHQROFRDBPVDU-ZJUUUORDSA-N 317.336 -0.098 30 20 DBED C#CCNC(=O)CN[C@@H]1C[C@H](C)N(C(=O)c2cc(C#N)c[nH]2)C1 1755675177 OWXURQLTSOPDQG-WCQYABFASA-N 313.361 -0.172 30 20 DBED C#CCCNC[C@@H]1CC[C@@H](NC(=O)CN(C)S(C)(=O)=O)C1 1755736147 RSMBANQUICXYAI-CHWSQXEVSA-N 315.439 -0.224 30 20 DBED COCC#CCN(C)C[C@@H](O)CN(C)C(=O)[C@@]1(F)CCOC1 1755805653 YQOMAQXOQJDYAP-UKRRQHHQSA-N 316.373 -0.484 30 20 DBED C#CCCCCC(=O)N(C)[C@H](C)CNC(=O)Cn1ncnn1 1756030272 UTNMYRCRUOBKON-GFCCVEGCSA-N 306.370 -0.170 30 20 DBED C=C(C)CCC(=O)N[C@@H](C)C1CN(C(=O)Cn2cnnn2)C1 1756145974 MLYZHWFIOAWNHA-NSHDSACASA-N 306.370 -0.008 30 20 DBED C=CCOCC(=O)N[C@H]1CCCN(C(=O)CC(=O)NC)[C@H]1C 1756625710 ZQHDIGQEXLKJSQ-RYUDHWBXSA-N 311.382 -0.179 30 20 DBED C=CCO[C@@H](C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc[nH]c2)C1 1757005271 OREZSXHIXLHBOU-CYZMBNFOSA-N 307.350 -0.093 30 20 DBED Cn1c(Cn2cnc(C#N)n2)nnc1N1C[C@H]2COC[C@H]2C1 1772150066 UNKXLBLKAIGXLQ-AOOOYVTPSA-N 300.326 -0.591 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)CCN(C)C(C)=O)CCO2 1783046277 FMHUNJKIFKQYGI-MRXNPFEDSA-N 321.377 -0.682 30 20 DBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@H]1F 1800378461 AOJBDMUFTCLGHU-KKSJPVRNSA-N 324.308 -0.978 30 20 DBED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1 1835354502 ZTPYGRPCJMCBFC-OAHLLOKOSA-N 320.349 -0.340 30 20 DBED CC(C)[C@H](S)C(=O)N1CCCC12CN(C(=O)C(O)O)C2 1841623477 UCZGFSWZHASUKT-VIFPVBQESA-N 302.396 -0.545 30 20 DBED C#CC(=O)N1CCCC12CN(C(=O)c1nc3ncccn3n1)C2 1845959081 FHIBYMZSOVFAOU-UHFFFAOYSA-N 310.317 -0.426 30 20 DBED C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCN(CC(N)=O)CC1 54978122 DWVUFOWTOBLHEM-ZDUSSCGKSA-N 321.425 -0.180 30 20 DBED C#CCN1CCN(CN2C(=O)C(=O)N(CC(C)C)C2=O)CC1 73957112 XWOCPQPEIUCZIG-UHFFFAOYSA-N 306.366 -0.359 30 20 DBED CN/C(=N\CCCO[C@@H]1CCOC1)NCCN1CCOCC1 134051072 WZIRFJKDXWAITC-CQSZACIVSA-N 314.430 -0.321 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(C)[C@H]2CCCN(C)C2)C1=O 266216716 YTDDKRJQGOONDP-NSHDSACASA-N 322.365 -0.484 30 20 DBED COc1ccc(N/C(N)=N/CCN2CCNC(=O)C2)cc1OC 272615925 IPPJVBFOSUMNLH-UHFFFAOYSA-N 321.381 -0.138 30 20 DBED C=CCNC(=O)CNC(=O)N1CC[C@H](NC(=O)NC2CC2)C1 273833285 PYMHPXAKKVFZTI-NSHDSACASA-N 309.370 -0.466 30 20 DBED CCOC(=O)CO/N=C(/C(=O)N1CC[C@@](C)(O)C1)c1cc[nH]n1 277904520 FOGJZQATBRTPJY-RFRKOGIWSA-N 324.337 -0.323 30 20 DBED N#Cc1ccc(S(=O)(=O)NCCC(=O)NCC(=O)O)cc1 278212539 IBDYQJOKJXCJAD-UHFFFAOYSA-N 311.319 -0.573 30 20 DBED CC(C)(C)[C@H](NCC#CCN[C@H](C(N)=O)C(C)(C)C)C(N)=O 284240155 VQJXVJQVRUQCJJ-VXGBXAGGSA-N 310.442 -0.031 30 20 DBED CCOC(=O)CC[C@H](O)Cn1c(=O)c(C#N)cn(CC)c1=O 296195901 OLBSIOVDVXBGBJ-NSHDSACASA-N 309.322 -0.394 30 20 DBED N#Cc1cncc(S(=O)(=O)N2CC[C@H](N3CCNCC3)C2)c1 320550409 JYFVVIXSOBPRSJ-ZDUSSCGKSA-N 321.406 -0.379 30 20 DBED CCN(CCC#N)S(=O)(=O)NCc1nc(N(C)C)no1 336911430 XZDCDCHRTVPHPW-UHFFFAOYSA-N 302.360 -0.294 30 20 DBED COC(=O)[C@H]1COCCN1S(=O)(=O)N(C)[C@H](C)CC#N 337989055 IGFRNFROKHKCTG-NXEZZACHSA-N 305.356 -0.661 30 20 DBED C[C@@H]1CN([C@@H](C(N)=O)c2ccc(C#N)cc2)C[C@H](C(N)=O)O1 347027942 VDTCZGBMJFJCPR-OASPWFOLSA-N 302.334 -0.341 30 20 DBED C=CCNC(=O)CNC(=O)C(=O)Nc1ccnn1CC(C)C 347234503 OVIKYRDCSAFLJN-UHFFFAOYSA-N 307.354 -0.104 30 20 DBED C=CCOC[C@H]1NC(=O)N(CCNC(=O)c2cc[nH]n2)C1=O 348594474 NHIFAWGLHDMLIO-SNVBAGLBSA-N 307.310 -0.738 30 20 DBED N#C[C@H](NC(=O)c1cn(CC(N)=O)nn1)c1ccccc1F 349474367 MBNIUAZTYZJUER-JTQLQIEISA-N 302.269 -0.103 30 20 DBED C[C@H](CNC(=O)CNC(=O)c1ccc(C#N)cc1)S(N)(=O)=O 350622132 XZVXTZIEGYJIGM-SECBINFHSA-N 324.362 -0.919 30 20 DBED COC(=O)CCN1CC[C@@H](NC(=O)c2cnn(C)c2C#N)C1=O 356592836 HLPQVTVNPZMSFG-SNVBAGLBSA-N 319.321 -0.814 30 20 DBED CN1CC[C@@](O)(CNC(=O)C(=O)Nc2ccc(F)cc2C#N)C1 358388036 GZPBNPNKQXQWMG-OAHLLOKOSA-N 320.324 -0.181 30 20 DBED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCC[C@@H](CO)C2)n1 359235474 AXYNICNMJCFNMI-LLVKDONJSA-N 319.365 0.505 30 20 DBED C=CCOC[C@@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)C(=O)OC 360733947 DGMGILDCRSKGGF-SNVBAGLBSA-N 312.282 -0.348 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCN2C(=O)NC[C@H]2C1 370300843 YUYPNSZXPAQWPO-QWRGUYRKSA-N 315.399 -0.578 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CCC[C@@H]([C@H](C)N)C2)nn1 424537392 CDBLDOJLOQHVBX-NWDGAFQWSA-N 320.397 -0.334 30 20 DBED N#Cc1ccc(NCC(=O)NC[C@@H](CO)[C@@H]2CCOC2)nc1 435923446 OUWIZJGKJAGYEQ-OLZOCXBDSA-N 304.350 0.126 30 20 DBED C=CCN(C(=O)C(=O)Nc1ccn(CC(=O)N(C)C)n1)C1CC1 442418233 JMTZSPDXKRRNLD-UHFFFAOYSA-N 319.365 0.087 30 20 DBED C=CCCN(C)C(=O)C(=O)N1CCN(S(=O)(=O)CC)CC1 459923783 RQCZOGYIYNATTH-UHFFFAOYSA-N 317.411 -0.485 30 20 DBED C#CCN1CCN(C(=O)CN2C(=O)N[C@H](CC(C)C)C2=O)CC1 490762760 MNEJFEHYASVJPO-CYBMUJFWSA-N 320.393 -0.270 30 20 DBED CCO[C@H]1C[C@@H]1NC(=O)C(=O)Nc1cc(C)n(CCC#N)n1 567117274 MVBDCWYCDMVWOQ-QWRGUYRKSA-N 305.338 0.337 30 20 DBED C=CCn1cc(CNC(=O)NCC(=O)N2CCOCC2)nn1 578742879 FCOLDPKCTSOMSR-UHFFFAOYSA-N 308.342 -0.878 30 20 DBED CCN1C[C@@H](CNc2c(C#N)c(=O)n(C)c(=O)n2C)CC1=O 593499495 UEVZKOVZSIGJDA-SECBINFHSA-N 305.338 -0.764 30 20 DBED CNS(=O)(=O)NC1CCN(C[C@@H](O)CC(C)(C)C#N)CC1 598610544 HMAGZEYZENBQLB-LBPRGKRZSA-N 318.443 -0.195 30 20 DBED C=CCOC[C@@H](NS(=O)(=O)C[C@H](OC)C1CC1)C(=O)O 646046715 OSTSJBYYUWONCP-MNOVXSKESA-N 307.368 -0.013 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N(C)C[C@@H]1COCCO1 658687174 QQZYFBBTRJHESS-GFCCVEGCSA-N 300.355 -0.479 30 20 DBED C=C(C)[C@H](C)OC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 755992203 NLMAPUPYGVRJNI-VIFPVBQESA-N 306.322 -0.059 30 20 DBED C#C[C@H](NC(=O)C(=O)Nc1cncnc1OC)[C@H]1CCCO1 773784690 CKYMXXMHHADOFG-GXSJLCMTSA-N 304.306 -0.279 30 20 DBED C#C[C@H](NC(=O)Nc1ncn(CC(=O)N(C)C)n1)[C@@H]1CCCO1 775643844 YEQLQSVACMXFGR-QWRGUYRKSA-N 320.353 -0.331 30 20 DBED CC(C)(C)OC(=O)CS(=O)(=O)CCN1CCO[C@@H](C#N)C1 808723067 JDKASBWOBWMOSS-NSHDSACASA-N 318.395 -0.033 30 20 DBED C=CCS(=O)(=O)NC(=O)c1c(Br)nnn1C 810644155 STVAEBVWYSVGSY-UHFFFAOYSA-N 309.145 -0.177 30 20 DBED C#CCONC(=O)Cn1c(=O)n(CC)c(=O)c2ccccc21 812783084 XZTDCZDHZSJXMG-UHFFFAOYSA-N 301.302 -0.136 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O 815474158 BEZBGDDHDOBYRD-SDDRHHMPSA-N 318.329 -0.381 30 20 DBED Cn1ncc2c(O)nc(NN=C3CCN(CCO)CC3)nc21 819807820 GUZKYDIVMKNYEF-UHFFFAOYSA-N 305.342 -0.075 30 20 DBED C#C[C@@H](C)NC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 820434875 BNAWJGGMHIYXGD-LLVKDONJSA-N 320.349 -0.989 30 20 DBED C#CCOCCNS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 823855918 DUQOLVVHLNLURM-UHFFFAOYSA-N 307.335 -0.205 30 20 DBED O=C(N[C@H]1CCCN(O)C1=O)c1ccn(CCn2cccn2)n1 848132636 SUMWCCVLJSPOQI-LBPRGKRZSA-N 318.337 -0.110 30 20 DBED C#CC[C@H](COC)NC(=O)CNS(=O)(=O)CCOC(C)C 863800725 MTVZRXDKCJBWAM-GFCCVEGCSA-N 320.411 -0.515 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@]23CCC[C@H]2OCC3)CC1 865157220 RBDCZABJAFTDRH-PBHICJAKSA-N 319.405 -0.161 30 20 DBED C#CCN1CCC[C@@H](NC(=O)NCCS(=O)(=O)CC=C)C1 884262621 PLMKTUMDCDUVPK-CYBMUJFWSA-N 313.423 -0.016 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N2C[C@H]3CC[C@@H](O)[C@H]3C2)CCO1 885615792 DSFFHJNVUHBRSV-WISYIIOYSA-N 301.368 -0.842 30 20 DBED CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)c1cccc(C#CCO)c1 912398128 ZCQYKTKCCOQNSM-ZIAGYGMSSA-N 323.370 -0.428 30 20 DBED C#CCNS(=O)(=O)c1cccc(C(=O)NCc2nc[nH]n2)c1 920248624 CIUBDKLRSNRNHF-UHFFFAOYSA-N 319.346 -0.354 30 20 DBED C#CCN1CCC[C@H](NC(=O)[C@@H](NC(=O)COC)C(C)C)C1 923576450 IXIZJKBZBHJIOF-ZFWWWQNUSA-N 309.410 -0.013 30 20 DBED O=C(Cc1cccc(F)c1)NCCNC(=O)NCC#CCO 923782869 XHKVMDGWYQAEEZ-UHFFFAOYSA-N 307.325 -0.221 30 20 DBED Cn1cc(C(=O)N2CC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)nn1 940061064 RXHRHPQXUZJHSU-SNVBAGLBSA-N 313.321 -0.341 30 20 DBED O=C(NC[C@H]1CN(C(=O)C#CC2CC2)CCO1)[C@@H]1[C@H]2COC[C@H]21 944727185 YFJXBLAEYVPHPZ-TTZDDIAXSA-N 318.373 -0.364 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2cn[nH]c2)C1 953795201 HFKNWJIHLZFONW-AWEZNQCLSA-N 315.377 -0.210 30 20 DBED C[C@H]1C[C@@H](NC(=O)Cn2ncnn2)CCN1C(=O)C#CC1CC1 955675800 QNFUDSNQFXQSAM-AAEUAGOBSA-N 316.365 -0.418 30 20 DBED CC#CCN1C[C@H](CNC(=O)c2cc(=O)c(OC)c[nH]2)[C@@H](O)C1 958261951 DLXDTCVEVQRKMI-FZMZJTMJSA-N 319.361 -0.571 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2c(OC)ncnc2OC)C1 958759140 VFGFHYWKOCXZBU-MNOVXSKESA-N 320.349 -0.851 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cccnn1 960826249 YPXKLMNLQFJTHG-WCFLWFBJSA-N 315.333 -0.312 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)c2ccncc2F)C1 962021708 AHGLPPUIOAQXDZ-AXTRIDKLSA-N 306.297 -0.318 30 20 DBED C#CCNC1CC2(C1)CC(NC(=O)[C@@H]1CN(C(C)=O)CCO1)C2 965893723 QDKICLDCGVHNBT-LETWWHAPSA-N 319.405 -0.116 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)c3nccnc3N)[C@H]2C1 976287447 CFNAHWISYOZWIE-AXTSPUMRSA-N 300.322 -0.595 30 20 DBED N#Cc1cc(C(=O)N2CCCN([C@@H]3CCNC3=O)CC2)c[nH]1 981002138 YIRKFUKWLKCIAJ-CYBMUJFWSA-N 301.350 -0.077 30 20 DBED CN1C(=O)CC[C@@H]1C(=O)NC[C@@H]1CCN(C(=O)C#CC2CC2)C1 982738154 DCFZHKRCOYQOJE-UONOGXRCSA-N 317.389 -0.015 30 20 DBED C[C@@H]1CCN(C(=O)C(N)=O)[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 984021621 FDXXKNKFXLDUBM-SKDRFNHKSA-N 317.349 -0.271 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)c3ncn(C)n3)C[C@H]2C1 986595559 YBEOTHRJPVFUGT-UTUOFQBUSA-N 316.365 -0.105 30 20 DBED C=C(C)C(C)(C)C(=O)N1CC(NC(=O)Cn2cnnc2O)C1 990947018 VRZKYIDTPNDLGZ-UHFFFAOYSA-N 307.354 -0.087 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)COC)C[C@H]2O)cn1 991635073 FSQATABRSSEIKE-ZIAGYGMSSA-N 317.345 -0.599 30 20 DBED C=CCn1cc(C(=O)NC2CN(C(=O)[C@@H]3C[C@@H]3OCC)C2)nn1 991673301 LGVNRRQZGWVQCU-YPMHNXCESA-N 319.365 -0.170 30 20 DBED C#CCCN1CCC[C@H](NC(=O)CN2C(=O)CNC2=O)[C@@H]1C 994359645 BCBSDHPGUJTVEF-RYUDHWBXSA-N 306.366 -0.469 30 20 DBED CC#CCN1CCC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)[C@@H]1C 994491808 YNUMWEBGGPLQHX-NWDGAFQWSA-N 318.381 -0.631 30 20 DBED C=C(C)CN[C@H]1CN(C(=O)CN2C(=O)CNC2=O)CC1(C)C 996585652 QHDYUFMXNQEOHU-NSHDSACASA-N 308.382 -0.059 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)CCc3cnn[nH]3)C2)nc1 997093044 NFIFADFFZKLXFY-UHFFFAOYSA-N 324.344 -0.246 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)CN2CCCC2=O)C1 999986856 HCAWMDYBXYRILR-OLZOCXBDSA-N 321.377 -0.473 30 20 DBED C#CCN1CC=C(CNC(=O)c2cnc(O)n(C)c2=O)CC1 1001036995 OPYZCTGHXCMKFV-UHFFFAOYSA-N 302.334 -0.519 30 20 DBED Cn1cnc(C(=O)N2CC(CNC(=O)c3cc(C#N)c[nH]3)C2)n1 1001341999 NPMLMWCCRZQOEJ-UHFFFAOYSA-N 313.321 -0.483 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCC1CN(C(=O)[C@H]2COCCO2)C1 1004522161 XKZBXLGFKXDMCT-HZSPNIEDSA-N 324.377 -0.433 30 20 DBED C[C@H](NC(=O)[C@H]1COC(=O)N1)C1CN(C(=O)C#CC2CC2)C1 1006018931 IOJRCVJQIWKOBF-JOYOIKCWSA-N 305.334 -0.529 30 20 DBED C=CCN1CCC(N(C)C(=O)[C@H]2CCS(=O)(=O)N2)CC1 1006425822 LXRFFKVZUQHJJV-GFCCVEGCSA-N 301.412 -0.213 30 20 DBED NC(=O)C(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C(F)(F)F 1008707816 AKDNCNYURABRIB-RKDXNWHRSA-N 317.267 -0.609 30 20 DBED C=C(C)CCN1CCC[C@H](NC(=O)c2cn(CC(N)=O)nn2)C1 1009635746 LVBOWIZUJRSSSJ-LBPRGKRZSA-N 320.397 -0.076 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C(=O)c2ccnc3[nH]nnc23)CC1 1011755692 XZEKRYDGHDQJGM-SECBINFHSA-N 313.321 -0.203 30 20 DBED Cc1cn2nc(C(=O)N[C@H]3CCN(CC#N)C3)cc2c(=O)[nH]1 1015401390 CLKMYWOTEXVRKT-JTQLQIEISA-N 300.322 -0.341 30 20 DBED CC#CCN1CC[C@H](NC(=O)C2CC3(C2)NC(=O)NC3=O)C1 1015831634 XKSDDCKZOCHMGY-VTWZXRTESA-N 304.350 -0.812 30 20 DBED C=CCn1cc(C(=O)N[C@H]2C[C@@H](N[C@@H]3CCN(C)C3=O)C2)nn1 1022824150 QVALKNDPXFEUTO-GRYCIOLGSA-N 318.381 -0.455 30 20 DBED Cc1cnc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2O)cn1 1022966747 JDEWSNDYOUZYNQ-GGZOMVNGSA-N 303.322 -0.754 30 20 DBED Cc1cccc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2O)n1 1023080088 PWCBRBBXOOGSIZ-OASPWFOLSA-N 302.334 -0.149 30 20 DBED Cn1cc(C(=O)NC2CCC(NCC#N)CC2)c(=O)n(C)c1=O 1026571455 WRUHAQRNEJFIRA-UHFFFAOYSA-N 319.365 -0.762 30 20 DBED C=CCN1CC[C@@H](NC[C@@H]2CCN(C(=O)c3nc[nH]n3)C2)C1=O 1027128514 XAVINFCULJFRQI-NWDGAFQWSA-N 318.381 -0.357 30 20 DBED N#CCN1CCC[C@H]1CNC(=O)C1CC2(C1)NC(=O)NC2=O 1028196645 PVYQHPZOSCEEAL-XIRUVYRFSA-N 305.338 -0.921 30 20 DBED C#CCN1[C@H]2CC[C@H]1CN(C(=O)[C@H]1CC(=O)N(CCOC)C1)C2 1029328842 ISIVXPNIJVRHFK-KKUMJFAQSA-N 319.405 -0.210 30 20 DBED C=CCn1cc(C(=O)NC2CN([C@H](C)c3nncn3C)C2)nn1 1031069906 FXMJRHYYRWBVTH-SNVBAGLBSA-N 316.369 -0.232 30 20 DBED C=CCOc1cccnc1C(=O)NC1CN([C@H]2CCNC2=O)C1 1031232016 VKANPEFYBMYFJL-LBPRGKRZSA-N 316.361 -0.051 30 20 DBED C#CCN1CC2(CCN(C(=O)CN3C(=O)CCC3=O)CC2)C1 1035850296 WTXJLRXKXWKPPO-UHFFFAOYSA-N 303.362 -0.307 30 20 DBED N#Cc1cc(C(=O)N[C@H]2[C@H]3C[C@H]2N(CCn2cncn2)C3)c[nH]1 1037370362 FOISDNXPNPLJFT-YUTCNCBUSA-N 311.349 -0.019 30 20 DBED C=CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)CN1CCS(=O)(=O)CC1 1037720828 WTVIPOLZSGKXGF-MBNYWOFBSA-N 313.423 -0.908 30 20 DBED Cc1cc(C(=O)NC[C@]2(O)CCN(C(=O)[C@@H](C)C#N)C2)cnn1 1039562589 XFUNYYMSGFCARI-ZUZCIYMTSA-N 317.349 -0.362 30 20 DBED Cc1ccnc(C(=O)NC[C@]2(O)CCN(C(=O)[C@@H](C)C#N)C2)n1 1039596630 WCMZZJVAHADQKA-ZUZCIYMTSA-N 317.349 -0.362 30 20 DBED O=C(C#CC1CC1)NC[C@@]1(O)CCN(C(=O)c2ccnnc2)C1 1039688772 PHAAVGMDDRSMEY-INIZCTEOSA-N 314.345 -0.417 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)c2csc(O)n2)C1 1040630217 RDUWYGSBCFWHDM-SDBXPKJASA-N 324.362 -0.298 30 20 DBED Cc1nocc1C(=O)NC[C@@]1(O)CCN(C(=O)[C@@H](C)C#N)C1 1040754601 HQANUTQPPOKNCX-XPTSAGLGSA-N 306.322 -0.164 30 20 DBED C=CCCOCC(=O)N1CC(O)(CNC(=O)CCCOC)C1 1041674496 HNCMRCLFXNSXMS-UHFFFAOYSA-N 314.382 -0.305 30 20 DBED C#CCN1CC[C@]2(CCN(C(=O)[C@@H]3CCS(=O)(=O)N3)C2)C1 1041835974 NGWLEZCWDUUHNA-JSGCOSHPSA-N 311.407 -0.764 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)C[C@@](C)(O)C=C)C1 1042802598 LVBMMXYXNRXWLU-HNNXBMFYSA-N 308.378 -0.194 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)c2nccnc2N)C1 1042936912 UNTYEPXYCXHGLF-UHFFFAOYSA-N 317.349 -0.979 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)C2[C@@H]3CCC[C@@H]23)C1 1043033113 QWGFGPPMSSQQNH-CHWSQXEVSA-N 320.389 -0.238 30 20 DBED C=CCCOCC(=O)NCC1(O)CN(C(=O)c2ocnc2C)C1 1043567014 YCDOBPYZLFYABA-UHFFFAOYSA-N 323.349 -0.121 30 20 DBED COCCC[C@H](C)C(=O)NCC1(O)CN(C(=O)[C@H](C)C#N)C1 1046585546 UUTDEKULNAEVSS-NWDGAFQWSA-N 311.382 -0.102 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 1047428319 FYEAEKWZTRZCJH-CBBWQLFWSA-N 309.410 -0.768 30 20 DBED C#Cc1ccc(C(=O)N(C)[C@H]2CN(CCOC)C[C@@H]2O)nc1 1047601868 ORZRGAXPSQGQCU-GJZGRUSLSA-N 303.362 -0.174 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCS2(=O)=O)C1 1047633748 KLZHXJOGFFXPED-RWMBFGLXSA-N 314.407 -0.910 30 20 DBED C=CCCOCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cnco2)C1 1049125698 HATKHWRSEWRYMT-RYUDHWBXSA-N 323.349 -0.089 30 20 DBED C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)CN1C(=O)CN(C)C1=O 1049883012 GMMMIXLWBDRTHI-STQMWFEESA-N 318.377 -0.421 30 20 DBED C#CCCN1CC[C@@H]2[C@H]1CCCN2C(=O)CN1C(=O)CNC1=O 1049888107 XRWBPHZAHZBVSJ-CHWSQXEVSA-N 318.377 -0.373 30 20 DBED C[C@@H](NC(=O)CC(N)=O)[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 1050483234 MNIGRJPPDQKVGW-ZJUUUORDSA-N 317.349 -0.271 30 20 DBED C[C@@H]1[C@@H](NC(=O)Cn2ncnn2)CCN1c1ncccc1C#N 1050639368 JBWBPTRKKWSPCO-PWSUYJOCSA-N 312.337 -0.277 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@@H]2COCCN2Cc2cnon2)c1 1050867407 GFXHXRUCUHCDNT-GFCCVEGCSA-N 316.321 -0.100 30 20 DBED N#CCN1CCN([C@@H]2CCN(C(=O)Cc3ccon3)C2)CC1 1051998609 WGVDZQWIVWBRDB-CQSZACIVSA-N 303.366 -0.041 30 20 DBED CC#CCN1CCC[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)CC1 1052454981 LOGNACIYINSESF-NEPJUHHUSA-N 306.366 -0.422 30 20 DBED C=C(C)CCN1CC2(C1)CN(C(=O)Cn1cnnc1O)CCO2 1053228237 JRAYMYAEABMPMW-UHFFFAOYSA-N 321.381 -0.137 30 20 DBED CC#CCN1CC2(CC[C@@H](CNC(=O)[C@H]3CCC(=O)N3)O2)C1 1053583075 UGNLLNDYGWVUSM-QWHCGFSZSA-N 305.378 -0.362 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)[C@H]3CCCN(C(N)=O)C3)CO2)C1 1053865230 ULTMTECSXROFCS-RYUDHWBXSA-N 321.381 -0.740 30 20 DBED Cn1nnc(C(=O)NC[C@@H]2Cc3ccccc3CN2CC#N)n1 1054051290 ZPOZSMQSGBXYFA-ZDUSSCGKSA-N 311.349 -0.110 30 20 DBED CC(=O)N[C@@H](C)C(=O)N1C[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2C1 1055144510 KDHHUNUNRGTJBF-DNIRFERGSA-N 306.366 -0.413 30 20 DBED N#Cc1ccc(N2C[C@H]3[C@H](NC(=O)C4=COCCO4)[C@H]3C2)nn1 1056099365 DZEQGFNKSLATIR-YABSGUDNSA-N 313.317 -0.213 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@](CO)(NC(=O)CCN(C)C)C1 1056103802 SMHCLGBAFUQAOD-SWLSCSKDSA-N 310.398 -0.433 30 20 DBED CCOCCC(=O)N(CCO)CCNC(=O)c1cc(C#N)c[nH]1 1057186934 ZGCUTIUJXYNLER-UHFFFAOYSA-N 322.365 -0.136 30 20 DBED C=C[C@](C)(O)CC(=O)N(CCO)CCNC(=O)[C@H](F)CC 1057451444 LIXSUMZLSHBFGH-RISCZKNCSA-N 304.362 -0.001 30 20 DBED C#CCOCCC(=O)N(CCO)CCNC(=O)C#CC(C)C 1057580347 BXGNEEORDHMPRQ-UHFFFAOYSA-N 308.378 -0.377 30 20 DBED C[C@H](N=c1cc[nH]c(C#N)n1)[C@@H]1CCCCN1C(=O)CC(N)=O 1058004188 GXHJUPZAKJKQEV-QWRGUYRKSA-N 316.365 -0.173 30 20 DBED N#Cc1nccc(N2CCC[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)n1 1058239236 HELLBOWKYVGUOM-MXWKQRLJSA-N 314.349 -0.445 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)[C@]1(F)CCOC1 1058492743 DFNJFVLCVNKJSD-HNNXBMFYSA-N 314.357 -0.289 30 20 DBED N#Cc1cncc(N2CCC3(CC2)C[C@H]3NC(=O)C(N)=O)n1 1058646113 XRWRNRPWQZGXTR-SNVBAGLBSA-N 300.322 -0.691 30 20 DBED COCCC1(C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N)CC1 1058656619 HJAYPIFCQIQQQO-LBPRGKRZSA-N 311.382 -0.100 30 20 DBED Cc1ncnc(O)c1C(=O)NCCN(CCO)C(=O)[C@H](C)C#N 1058663449 SXGSUKJHZXYTKG-SECBINFHSA-N 321.337 -0.799 30 20 DBED COc1cc(C(=O)NCCN(CCO)C(=O)[C@H](C)C#N)ccn1 1058663612 XWDZUKCIPOVRER-LLVKDONJSA-N 320.349 -0.199 30 20 DBED Cc1ccc(C#N)c(N[C@H]2CCN(C(=O)Cn3cnnn3)C2)n1 1058836673 HFCNTZBBZGRFFX-LBPRGKRZSA-N 312.337 -0.039 30 20 DBED C[C@@H](C(=O)N1CC[C@H](N=c2cc[nH]c(C#N)n2)C1)n1cncn1 1058862483 AOLZUCKRCDYUAL-QWRGUYRKSA-N 312.337 -0.364 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](CCNC(=O)c2ncn(C)n2)C1 1060289764 SDJOTFUEMHGFSY-WDEREUQCSA-N 304.354 -0.057 30 20 DBED CC(C)C#CC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1CCN(C)C1 1061595577 LDHYDGOKGJOYFT-CABCVRRESA-N 321.421 -0.059 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)Cn1ccnc1 1061682532 MLLRVMXKKWPORJ-NWDGAFQWSA-N 305.338 -0.614 30 20 DBED N#Cc1cccnc1N1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCNC1=O 1062555257 CGLHYBNXNSQZKL-RWMBFGLXSA-N 311.345 -0.121 30 20 DBED O=C(C#CC1CC1)NCC1(NC(=O)Cn2cncn2)CCC1 1062979615 CJYOXJJNGQNZGC-UHFFFAOYSA-N 301.350 -0.153 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(NC(=O)[C@H]2COC(=O)N2)CCC1 1063041677 BIGAGAMWJKFWJA-WDEREUQCSA-N 323.349 -0.712 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CN(C(=O)COCC2CC2)CCO1 1064900327 QVSRKUAFJQQBBF-AAEUAGOBSA-N 309.366 -0.084 30 20 DBED C#CCNC(=O)CC(=O)N1CCO[C@H](CNC(=O)[C@@H]2C[C@H]2C)C1 1065066848 DNZQFVOCKRJVRJ-JHJVBQTASA-N 321.377 -0.875 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)CCNC(N)=O)CCO1 1065141577 GFPQKPRMQQXAJN-LBPRGKRZSA-N 324.381 -0.808 30 20 DBED C#CCOCCC(=O)N1CCO[C@H](CNC(=O)[C@@H]2CCCO2)C1 1065149528 CILDXTHDOHWGQY-KGLIPLIRSA-N 324.377 -0.451 30 20 DBED Cc1cncn1CC(=O)N1CCO[C@@H](CNC(=O)[C@H](C)C#N)C1 1065350563 HLIHTDKIGFSEIR-YPMHNXCESA-N 319.365 -0.305 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@H](CNC(=O)CCn2cncn2)C1 1065557909 WURJBFIMZIVREU-NWDGAFQWSA-N 320.353 -0.829 30 20 DBED C[C@H]1CN(C(=O)Cn2nccn2)C[C@@H]1N=c1cc[nH]cc1C#N 1067154149 ZGMZJJZEPWOYAW-FZMZJTMJSA-N 311.349 -0.074 30 20 DBED Cc1nsc(N2C[C@H]3CC[C@H]2CN3C(=O)C(N)=O)c1C#N 1068061323 FSDDTNRIDYGKQX-BDAKNGLRSA-N 305.363 -0.012 30 20 DBED Cc1cc(=N[C@@H](C)[C@H]2CN(C(=O)C(N)=O)CCO2)c(C#N)c[nH]1 1068243222 GWPVTRLLDBXBKW-GXFFZTMASA-N 317.349 -0.803 30 20 DBED C=CCOCC(=O)N1CC2(C1)CN(C(=O)[C@H](C)OC)CCO2 1068325441 MHILTZGLPCMDIB-LBPRGKRZSA-N 312.366 -0.336 30 20 DBED C=CCCC(=O)N1CC2(C1)CN(C(=O)[C@H]1C[C@H]1C(N)=O)CCO2 1068463896 PTDPEJDYKCGTGI-NEPJUHHUSA-N 321.377 -0.486 30 20 DBED C#CCN[C@@H]1CN(C(=O)C2(F)CCOCC2)C[C@@H]1n1ccnn1 1070207987 ZOLZPFFOMAEZJO-OLZOCXBDSA-N 321.356 -0.229 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@H]2OCCO[C@H]2C)C[C@@H]1n1ccnn1 1070211412 GCIIOHGIIYUMRW-CRWXNKLISA-N 319.365 -0.943 30 20 DBED C#CCN[C@@H]1CN(C(=O)C[C@@H]2CCN(C)C2)C[C@@H]1n1ccnn1 1070310134 PZSUCCSEFCMDKU-ZNMIVQPWSA-N 316.409 -0.405 30 20 DBED C=C(C)CN1CCNC(=O)CCN(C(=O)C(C)(C)C(N)=O)CC1 1070970623 OFXQCPVGMUCWHK-UHFFFAOYSA-N 324.425 -0.276 30 20 DBED CC#CCN1CCNC(=O)CCN(C(=O)c2cnco2)CC1 1070984164 WQOUURWPFYWPOF-UHFFFAOYSA-N 304.350 -0.038 30 20 DBED Cc1nonc1CC(=O)N1CCC(=O)NCCN(CC#N)CC1 1071013237 WBZBJJJXQGAQBP-UHFFFAOYSA-N 320.353 -0.905 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCCN(C(=O)c2cnco2)C1 1071031013 RCPZHFKVSKLVMV-LLVKDONJSA-N 318.333 -0.465 30 20 DBED C=CCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)C2CC(=O)NC(=O)C2)C1 1071786697 HXIJFYMBBNGUBP-PWSUYJOCSA-N 321.377 -0.032 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(C(=O)C2(NC(N)=O)CC2)C[C@H]1C 1071926462 YHWGKFVKEJRTDM-VXGBXAGGSA-N 320.393 -0.190 30 20 DBED C#CCCCCC(=O)N[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@@H]1C 1072542990 FMIBTGROUZAEJQ-NWDGAFQWSA-N 318.381 -0.020 30 20 DBED CCn1nc(C(=O)NC[C@@H]2CN(CC#N)CCCO2)ccc1=O 1073821463 KGBAQENIZXFYNB-GFCCVEGCSA-N 319.365 -0.393 30 20 DBED CC#CCN1CCO[C@@H]2CCN(C(=O)CN3CCOCC3)C[C@H]21 1074215373 HEKIWTWBVFXLAZ-HZPDHXFCSA-N 321.421 -0.356 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CCN(C(=O)[C@@H](C)C#N)CC1 1074706383 KHUFXSNDRAUDDO-QWHCGFSZSA-N 321.377 -0.346 30 20 DBED COC(=O)NCC(=O)N[C@@H](C)CCNC(=O)CSCC#N 1075675971 WFAQLUBCCLZEAR-VIFPVBQESA-N 316.383 -0.390 30 20 DBED C=CCOCC(=O)N[C@@H](C)CCNC(=O)[C@H]1COCCO1 1075698389 YKTQMBUTVPJTGW-NWDGAFQWSA-N 300.355 -0.385 30 20 DBED C#CCO[C@@H](C)C(=O)NCC[C@H](C)NC(=O)c1cn(C)nn1 1076507279 AULSFKQHVFFWHH-QWRGUYRKSA-N 307.354 -0.522 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@@]2(C)CCN(C(C)=O)C2)C1 1077963779 GJRBMPAVAKPZII-FMKPAKJESA-N 307.394 -0.571 30 20 DBED C=C[C@@](C)(O)CC(=O)N(C)[C@H]1CCCN(C(=O)C(N)=O)CC1 1078937017 SEUWTAUPYMMVKZ-XHDPSFHLSA-N 311.382 -0.362 30 20 DBED CCN(C(=O)[C@@H](C)CC(N)=O)C1CN(C(=O)C#CC2CC2)C1 1080217334 CEHZEWAVMKALIU-NSHDSACASA-N 305.378 -0.029 30 20 DBED CCN(C(=O)[C@@]1(C)CCNC1=O)C1CN(C(=O)C#CC2CC2)C1 1080553576 MUADPQKRAKQBJQ-KRWDZBQOSA-N 317.389 -0.015 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CO)(NC(=O)[C@H]2CCCO2)CC1 1080705763 SSTWOCKGWJWCLH-NWDGAFQWSA-N 309.366 -0.205 30 20 DBED C=CCOCC(=O)N1C[C@H](CNC(=O)Cc2cc[nH]n2)[C@@H](O)C1 1081367488 BWVPIUYPYSKLGG-AAEUAGOBSA-N 322.365 -0.910 30 20 DBED Cn1cc(CN2C[C@H](O)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)cn1 1083414414 BDPIFFCUSGTDBM-KGLIPLIRSA-N 314.349 -0.405 30 20 DBED C=CCCn1cc(C(=O)N(C)C[C@@H]2CCN2[C@H](C)C(N)=O)nn1 1085863762 JCCVXXFBGZQHSY-NEPJUHHUSA-N 320.397 -0.126 30 20 DBED CCN(c1nccnc1C#N)[C@H](C)CNC(=O)CCNC(N)=O 1089650305 ALVSNUGCQBUROF-SNVBAGLBSA-N 319.369 -0.262 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2cn3cccnc3n2)[C@H](O)C1 1090394929 YTLBWOUYZAYWDO-TZMCWYRMSA-N 313.361 -0.082 30 20 DBED CCNC(=O)CC(=O)N[C@H]1[C@@H]2CN(c3ccnc(C#N)n3)C[C@@H]21 1093265613 JEDHEZVJMKSNLX-RTUWITSCSA-N 314.349 -0.575 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1[C@@H]2CN(c3nc(C)ns3)C[C@@H]21 1093266934 SKGPDVSVPHLMIG-IWIIMEHWSA-N 319.390 -0.463 30 20 DBED C#CCOCCC(=O)NC1[C@@H]2CN(c3nccnc3C#N)C[C@@H]12 1093312619 YZVKABWGIXKKJP-VXGBXAGGSA-N 311.345 -0.061 30 20 DBED Cn1cc(CCC(=O)NCCNc2cnc(C#N)cn2)nn1 1093713620 QKNQXLFHEIYROQ-UHFFFAOYSA-N 300.326 -0.362 30 20 DBED Cc1cc(=NCCNC(=O)CCn2cnnn2)c(C#N)c[nH]1 1093823790 QLFSDLJHTZMENC-UHFFFAOYSA-N 300.326 -0.712 30 20 DBED COC[C@@]1(C(=O)NCCNc2cnc(C#N)cn2)CCOC1 1094008867 CDCNPIWCSGPQHQ-AWEZNQCLSA-N 305.338 -0.071 30 20 DBED N#Cc1c[nH]ccc1=NCCCNC(=O)C[C@@H]1CCNC1=O 1094617324 DJKNPISUWXRIQY-NSHDSACASA-N 301.350 -0.180 30 20 DBED C#CCN1CCN(C(=O)Cc2ccoc2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094626111 RVWXRIQENBEDQA-UONOGXRCSA-N 322.386 -0.235 30 20 DBED N#CCN1CC(N2C[C@H](NC(=O)C3=COCCC3)CC2=O)C1 1094711549 IGUCBYQAZCBBRD-GFCCVEGCSA-N 304.350 -0.394 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)c3cscn3)CC2=O)C1 1094712692 ZASXKGWROCNRHM-JTQLQIEISA-N 304.375 -0.209 30 20 DBED CC#CCN1CC(N2C[C@H](NC(=O)[C@@H]3CCCCO3)CC2=O)C1 1094722567 VRRCXDMLMJRFGB-HIFRSBDPSA-N 319.405 -0.020 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)[C@@H]3CCN(C)[C@@H]3C)CC2=O)C1 1094738186 HHMJHHNZLTUPNU-VNHYZAJKSA-N 320.437 -0.086 30 20 DBED Cc1nc(NCCCNC(=O)[C@@H]2CNC(=O)N2)ccc1C#N 1094751128 MBBULYDZQGTWAT-NSHDSACASA-N 302.338 -0.139 30 20 DBED CC(=O)N[C@@H](C)C(=O)NC1CCN(c2cnc(C#N)cn2)CC1 1095387611 KZWRDGBYDKOHFN-JTQLQIEISA-N 316.365 -0.042 30 20 DBED CN1CC[C@@H](C(=O)NCCCN(C)c2ccnc(C#N)n2)C1=O 1095701706 UIBMRXAOLBHWHT-NSHDSACASA-N 316.365 -0.231 30 20 DBED CNC(=O)NCC(=O)N[C@H]1CCN(c2ccc(C#N)nc2)C1 1096492995 HDFJIHAOANXZMR-NSHDSACASA-N 302.338 -0.423 30 20 DBED N#Cc1cnc(N[C@@H](CNC(=O)C2(C(N)=O)CC2)C2CC2)cn1 1096796127 YJWMDVCHTQVILK-NSHDSACASA-N 314.349 -0.080 30 20 DBED CNC(=O)NCC(=O)N[C@H]1C[C@@H](Nc2ccc(C#N)nn2)C1 1097258934 GLIPXCZGUPSKSI-AOOOYVTPSA-N 303.326 -0.664 30 20 DBED CN1CCN(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC#N)CC1=O 1097375488 MYRFSKOXOIBEDX-UPJWGTAASA-N 305.382 -0.995 30 20 DBED C[C@@H](CNC(=O)c1cnn(C)c1N)Nc1cnc(C#N)cn1 1097762409 KAHYLGNPUFOJKF-QMMMGPOBSA-N 300.326 -0.106 30 20 DBED C[C@H](CNC(=O)[C@@H]1CCS(=O)(=O)C1)Nc1ccc(C#N)nn1 1098136431 HDIBEYSYJRMHTM-NXEZZACHSA-N 323.378 -0.300 30 20 DBED N#Cc1cncc(NC[C@@H]2CCN(C(=O)CCNC(N)=O)C2)n1 1098529783 RELBZRGCMICGHY-JTQLQIEISA-N 317.353 -0.333 30 20 DBED C#CCN1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(=O)n(C)n2)C1 1099147069 GCEUAIUPOSAKSE-LRDDRELGSA-N 300.362 -0.002 30 20 DBED Cn1nnnc1CN1CC[C@H](NC(=O)C#CC(C)(C)C)[C@@H](O)C1 1099827422 XDKORIHOABHTPX-RYUDHWBXSA-N 320.397 -0.689 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2ncccn2)[C@@H](O)C1 1100041174 FXWUTFAFKVTTBW-OLZOCXBDSA-N 304.350 -0.709 30 20 DBED C=CCCCN1CC[C@H](NC(=O)c2cn(C)c(=O)n2C)[C@H](O)C1 1100129128 IIEQBMCCFYVNOU-GXTWGEPZSA-N 322.409 -0.145 30 20 DBED CN(CCNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc(C#N)cn1 1100227058 DVYLQPOLSJRNIR-LBPRGKRZSA-N 322.390 -0.060 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)CCCC(=O)NC)C1 1100268066 HWERTLNXZLPTEU-UHFFFAOYSA-N 322.409 -0.864 30 20 DBED COCC#CCNC1CC(CNC(=O)c2cnnc(O)c2)C1 1100425629 PUZOSSLPIYPUET-UHFFFAOYSA-N 304.350 -0.070 30 20 DBED C=CCNC(=O)CNC1CC(CNC(=O)c2ccncn2)C1 1100768231 XTBAJVNVNRUAIY-UHFFFAOYSA-N 303.366 -0.123 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H]1CCN(c2nccnc2F)C1 1100976054 VIQAPFDMQDKQQI-NSHDSACASA-N 319.340 -0.302 30 20 DBED CC#CCN1C[C@@H]2CN(C(=O)CCNC(=O)COC)C[C@]2(C)C1 1101257699 HWHFBNSFVZMWOV-PBHICJAKSA-N 321.421 -0.057 30 20 DBED C[C@H]1CCN(C(=O)C(=O)N(C)CCN=c2cc[nH]c(C#N)n2)C1 1101767462 ZHOUSDFEKFRNTL-NSHDSACASA-N 316.365 -0.491 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(Cc2nc(=O)n(C)[nH]2)C[C@H]1C 1101946941 RHPQFMJYSCIMSC-CHWSQXEVSA-N 319.409 -0.048 30 20 DBED CN(CCNc1cncc(C#N)n1)C(=O)[C@]1(C)CCNC1=O 1101959332 PYKHEHOJCPCUPX-CQSZACIVSA-N 302.338 -0.255 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)c2ccn(C)n2)C1 1102577976 FZEPEPNUYHYLMW-CHWSQXEVSA-N 317.393 -0.533 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1CCNC(=O)C(F)F 1102629231 CEDJWKFCXQBEFS-NXEZZACHSA-N 302.325 -0.035 30 20 DBED CCN(C(=O)CNC(C)=O)[C@@H]1CCN(c2ccnc(C#N)n2)C1 1102771697 RBDMSUFQKGARQW-GFCCVEGCSA-N 316.365 -0.088 30 20 DBED CC[C@@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)N=c1cc[nH]cc1C#N 1103305511 FRVXHZJKSNVQTB-TUAOUCFPSA-N 301.350 -0.197 30 20 DBED C[C@@H](CNc1nccnc1C#N)N(C)C(=O)C1(C(N)=O)CC1 1104793050 MVNVPVVFOBNOHN-VIFPVBQESA-N 302.338 -0.127 30 20 DBED CC(C)[C@@H](CNC(=O)[C@H](C)NC(N)=O)Nc1nccnc1C#N 1105178081 NTJMOTBTXUWULM-GXSJLCMTSA-N 319.369 -0.042 30 20 DBED C=C(C)CNCc1cn(C2CN(C(=O)CCNC(N)=O)C2)nn1 1105370987 FAHMKXVGQAEYFV-UHFFFAOYSA-N 321.385 -0.615 30 20 DBED N#Cc1cncc(NC[C@H](O)CNC(=O)COCC2CC2)n1 1105718869 SIOZZEXAVLIYDY-LBPRGKRZSA-N 305.338 -0.336 30 20 DBED Cc1nnsc1C(=O)NC[C@H](O)CNc1cncc(C#N)n1 1105744023 IYJYBOYHWLBHIY-SECBINFHSA-N 319.350 -0.289 30 20 DBED C[C@H](C(=O)NC[C@H](O)CNc1ccc(C#N)nc1)n1cncn1 1105829497 TYDQTLVQEHAXRU-ZWNOBZJWSA-N 315.337 -0.305 30 20 DBED COCC(C)(C)C(=O)NC[C@H](O)CNc1cncc(C#N)n1 1106022758 IDWXFLRYXRTRKX-LLVKDONJSA-N 307.354 -0.090 30 20 DBED N#Cc1cccnc1NC[C@@H](O)CNC(=O)CCc1cnn[nH]1 1106123512 OPXCDPOUWUPTAB-LBPRGKRZSA-N 315.337 -0.407 30 20 DBED C[C@@H](CCNc1ccc(C#N)nn1)NC(=O)[C@@H]1CN(C)C(=O)N1 1106518556 CVLMGPCLZXFSEU-ONGXEEELSA-N 317.353 -0.321 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)CN2CCCC2)C[C@H]1C 1106983751 IEXSNKAFAAOCFM-HUUCEWRRSA-N 320.437 -0.484 30 20 DBED C=C1CC(C)(C(=O)NCc2cn(C3CN(CC(N)=O)C3)nn2)C1 1107209081 HJSOYAJSMNVWGM-UHFFFAOYSA-N 318.381 -0.407 30 20 DBED N#Cc1nc(=NC/C=C/CNC(=O)CO[C@H]2CCOC2)cc[nH]1 1107357114 FHGLULQNEOEOBM-ISUDXETCSA-N 317.349 -0.340 30 20 DBED CCn1nncc1C(=O)N[C@H](C)CN=c1cc[nH]c(C#N)n1 1107737416 YSFNFDRCNPYXDU-SECBINFHSA-N 300.326 -0.388 30 20 DBED CCS(=O)(=O)CC(=O)N[C@H](C)CNc1ccc(C#N)nn1 1107792405 YBPXJEBRSNCPNN-SECBINFHSA-N 311.367 -0.300 30 20 DBED C[C@H](CNc1cncc(C#N)n1)NC(=O)[C@]1(C)CNC(=O)C1 1108016585 LRHICBRYOLHWDQ-OTYXRUKQSA-N 302.338 -0.209 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)c2ccc(N(C)C)nn2)C1 1108346911 BYBGINZFGBZCNU-MRXNPFEDSA-N 317.393 -0.004 30 20 DBED C#CCCN1CC(N2C[C@@H](NC(=O)[C@H](C)COC)CC2=O)C1 1108523262 FWSJNWKMYNEFKT-OLZOCXBDSA-N 307.394 -0.307 30 20 DBED C=CCOCC(=O)N[C@H]1CC(=O)N(C2CN(CCOC)C2)C1 1108523448 JPVCGVVGYRGDKD-LBPRGKRZSA-N 311.382 -0.763 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)CCc3cnn[nH]3)CC2=O)C1 1108578170 XOXGKBRRNUKAEU-LBPRGKRZSA-N 318.381 -0.675 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)CCOCCOC)CC2=O)C1 1108594273 NZUCKPBCTXQCMN-CYBMUJFWSA-N 323.393 -0.926 30 20 DBED C#CCCN1CC(N2C[C@H](NC(=O)CCCC(N)=O)CC2=O)C1 1108595014 FAWXPGQTVNWXKX-GFCCVEGCSA-N 320.393 -0.933 30 20 DBED Cc1cc(C#N)nc(NC[C@H](C)NC(=O)[C@H]2CN(C)C(=O)N2)n1 1108635081 DOKBWNHBWSGMPX-GXSJLCMTSA-N 317.353 -0.403 30 20 DBED C[C@H](CN(C)c1ncccc1C#N)NC(=O)Cn1ncnn1 1109116640 KVVDJUBLRYAYAC-SNVBAGLBSA-N 300.326 -0.419 30 20 DBED C[C@@H](CN(C)c1cncc(C#N)n1)NC(=O)[C@H](C)CC(N)=O 1109206290 UPYKXOALCWYAAX-ZJUUUORDSA-N 304.354 -0.199 30 20 DBED N#Cc1c[nH]ccc1=NC1(CNC(=O)Cn2cnnc2O)CC1 1110099215 YXRJSZQPPZRSET-UHFFFAOYSA-N 313.321 -0.567 30 20 DBED CN1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCC#N)C1 1111406037 PPSQLEZJRSUHRD-DGAVXFQQSA-N 319.409 -0.701 30 20 DBED N#Cc1nc(=NCCN(CCO)C(=O)c2cc[nH]c2)cc[nH]1 1111580714 LLHNQFJNENEGJB-UHFFFAOYSA-N 300.322 -0.355 30 20 DBED N#Cc1nccnc1NC1(CNC(=O)[C@@H]2CCNC2=O)CCC1 1111880545 FOYHDCKSDUOBLW-SNVBAGLBSA-N 314.349 -0.065 30 20 DBED CN(CCCN(C)c1ccnc(C#N)n1)C(=O)Cc1nc[nH]n1 1112122177 ZFZFFTFZIGAMPS-UHFFFAOYSA-N 314.353 -0.006 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)c2cnn(CC)n2)CC1 1112821325 VSJPVSQKMLMOGN-GFCCVEGCSA-N 318.381 -0.806 30 20 DBED C=C(Cl)CN1CCN(C(=O)CCS(=O)(=O)NC)CC1 1112846343 MGECAKKIOPKZDY-UHFFFAOYSA-N 309.819 -0.178 30 20 DBED C[C@@H](CNC(=O)c1nnn(C)n1)N(C)c1cnc(C#N)cn1 1113815368 ZSRGZIRYYYAMOD-QMMMGPOBSA-N 301.314 -0.874 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)c3cncs3)[C@H]2C1 1113945080 OZEUSFYULBKJBA-DCAQKATOSA-N 318.402 -0.059 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)CCCCOC)[C@H]2C1 1114012608 IMNPZTIENXKMDA-VIKVFOODSA-N 307.394 -0.401 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3cnc(C)[nH]3)[C@H]2C1 1114038371 PIYXOPONFZYYCO-YABSGUDNSA-N 301.350 -0.872 30 20 DBED COCCCNC(=O)CN1C[C@@H]2C(NC(=O)C#CC3CC3)[C@H]2C1 1114253019 GTBFQDUTWLJZFM-KBPBESRZSA-N 319.405 -0.401 30 20 DBED N#CCN1C[C@H]2C(NC(=O)CCCn3c(O)nnc3O)[C@@H]2C1 1114496929 VZUMRLZSIVBQNV-RKDXNWHRSA-N 306.326 -0.961 30 20 DBED CC(=O)NCC(=O)NCC1[C@H]2CN(c3ncccc3C#N)C[C@H]12 1114504060 ZUBLYOXGCNPUQN-ZIAGYGMSSA-N 313.361 -0.112 30 20 DBED C=CCC1(C(=O)NC2[C@H]3CN(CC(=O)NC(N)=O)C[C@H]23)CCC1 1114783518 QNUJJQPBUDIDRJ-QWRGUYRKSA-N 320.393 -0.026 30 20 DBED C#Cc1ccc(C(=O)NC2[C@@H]3CN(CCOCCO)C[C@@H]23)nc1 1115140075 QBIQDZRRKVNZAT-ZIAGYGMSSA-N 315.373 -0.268 30 20 DBED N#Cc1nccnc1NCCCOCCNC(=O)c1cnon1 1115418665 UELGSTVSMQCNTL-UHFFFAOYSA-N 317.309 -0.020 30 20 DBED CS(=O)(=O)N1CC[C@H](CNS(=O)(=O)CCCC#N)C1 1116371994 HCPNYWFUGRKLCT-SNVBAGLBSA-N 309.413 -0.509 30 20 DBED CNS(=O)(=O)C1CCN(CC(=O)NC2(C#N)CCC2)CC1 1117741426 XLZUDZQMWBWZIH-UHFFFAOYSA-N 314.411 -0.438 30 20 DBED N#CCCC[C@@H](N)C(=O)NCCCN1CCC[C@@H](C(N)=O)C1 1118131013 PXHCRUSZJYCZIQ-CHWSQXEVSA-N 309.414 -0.289 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H](CO)N=c2cc[nH]c(C#N)n2)c1 1121266350 UCODVIRWVWJHQX-SNVBAGLBSA-N 311.305 -0.827 30 20 DBED Cc1cc(C(=O)NC[C@H](CO)Nc2cncc(C#N)n2)ncn1 1121310872 MCJMNWSLLYOJHQ-LLVKDONJSA-N 313.321 -0.351 30 20 DBED Cc1nc(C(=O)NC[C@H](CO)Nc2ccc(C#N)nn2)co1 1121372040 SUWONEGEKUYKBD-SNVBAGLBSA-N 302.294 -0.153 30 20 DBED N#Cc1cnc(N[C@@H](CO)CNC(=O)CCCC(N)=O)c(F)c1 1121711673 SVCSAPCVEJJDFA-SNVBAGLBSA-N 323.328 -0.363 30 20 DBED Cn1cc(C(=O)NC[C@H](CO)Nc2ccc(C#N)cn2)nc1O 1122446052 ZDEJFPCFVCHFHC-SNVBAGLBSA-N 316.321 -0.405 30 20 DBED CN(C[C@H](O)CNc1nccnc1C#N)C(=O)[C@@H]1CCOC1 1124140940 OOSWOZBPXAAHFN-GHMZBOCLSA-N 305.338 -0.384 30 20 DBED N#Cc1ccc(CNCCNC(=O)Cn2cnnc2O)s1 1126022093 XTTXDYAWSZTPBC-UHFFFAOYSA-N 306.351 -0.177 30 20 DBED C#CCNC(=O)CC(=O)NCCN(CCOC)c1ncccn1 1126297856 DTULUXHYZFTBHS-UHFFFAOYSA-N 319.365 -0.815 30 20 DBED C[C@H](C#N)C(=O)NCc1cnn2c1CN([C@H]1CCNC1=O)CC2 1128265064 SINUPPLBIHLXDP-PWSUYJOCSA-N 316.365 -0.637 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1CN(CC(=O)NC)C[C@@H]1n1ccnn1 1129159875 ZVCDDBMYAQYADK-NEPJUHHUSA-N 320.397 -0.422 30 20 DBED C#CCCN1CCOC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](C)OC)n1 1130831561 KCLFGZZMGRKDAI-VXGBXAGGSA-N 321.381 -0.148 30 20 DBED C#CCCN1C[C@H]2C[C@@H]3CN(C(=O)[C@H](C)NC(C)=O)C[C@@]3(C1)O2 1131177104 DUISVFXYUDCSHO-DPAVQSFQSA-N 319.405 -0.164 30 20 DBED COCC#CCN1CC[C@]2(C1)CN(C(=O)COC)C[C@@H](C)O2 1131617257 RCOZXRPCCSQUNP-ZBFHGGJFSA-N 310.394 -0.026 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CCCN(CCC)C1 1132739571 SFSCLANGWOQEQY-HUUCEWRRSA-N 322.453 -0.048 30 20 DBED C[C@H]1CCN(C(=O)CCNS(C)(=O)=O)C[C@@H]1CNCC#N 1132864766 BFHZDZYZQBFPTH-RYUDHWBXSA-N 316.427 -0.477 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1ccc2n[nH]cc2c1 1132997509 HCXNFJFILVLSKV-UHFFFAOYSA-N 300.322 -0.478 30 20 DBED C=CCCCC(=O)NCCNCC(=O)N1CCC[C@H](C(N)=O)C1 1133154712 RBEKPCMOSVBLKG-ZDUSSCGKSA-N 324.425 -0.228 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)c1cc(=O)n(C)o1 1134219173 JRUSLHGOQNXIBZ-WDEREUQCSA-N 322.365 -0.786 30 20 DBED C=CCN[C@@H](C)C[C@H](C)NC(=O)c1cn(C)c(=O)n(C)c1=O 1135613292 FAEWEBAGGDAQBJ-QWRGUYRKSA-N 308.382 -0.244 30 20 DBED COCC#CCN1CCC2(C1)CN(C(=O)CCCC(N)=O)C2 1148915153 PMCPIMFMIKBFET-UHFFFAOYSA-N 307.394 -0.174 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1sc(COC)nc1C 1149293916 LHOMAKBNRDONNA-UHFFFAOYSA-N 324.406 -0.333 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CN(Cc2nnnn2C)CCCO1 1149399283 RQQJLXZNINMLAB-WDEREUQCSA-N 307.358 -0.923 30 20 DBED COCCC1(NC(=O)CN2CCOCC2)CCN(CC#N)CC1 1151069438 NCJBCXMIDTVFLN-UHFFFAOYSA-N 324.425 -0.171 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)Cc1ncc[nH]1 1156025682 BTSIYWBRLODCDH-LLVKDONJSA-N 306.370 -0.581 30 20 DBED CNC(=O)NC(=O)[C@H](C)NCCCNC(=O)C#CC(C)(C)C 1157727548 RYHIWQYQCUAXGM-NSHDSACASA-N 310.398 -0.024 30 20 DBED C#CCNC(=O)CNCCCNC(=O)Cn1cc(C2CC2)cn1 1161418968 AQKHCEYJSSVKOE-UHFFFAOYSA-N 317.393 -0.394 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1ccc2cncn2c1 1162617767 RLAKROVFNPHVIY-UHFFFAOYSA-N 313.361 -0.207 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1cnc(O)cc1OC 1166925080 WRJLZFAOJVXKNP-UHFFFAOYSA-N 320.349 -0.745 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCCCNC[C@H](O)Cn1cccn1 1166993613 OYCHJXIXGAVHGW-ZNMIVQPWSA-N 322.409 -0.069 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NCCCNCc1cnn(C)n1 1167678035 PHKXSPVFKJRSLH-AWEZNQCLSA-N 322.413 -0.118 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)c1cn(CC=C)nn1 1167848230 STZLYDILRUIKSK-GFCCVEGCSA-N 320.397 -0.136 30 20 DBED C[C@H](CCCCNCC#N)NC(=O)CCCS(N)(=O)=O 1174978378 MCLBULSNRLYLPC-LLVKDONJSA-N 304.416 -0.157 30 20 DBED CC#CCNCCCC[C@H](C)NC(=O)Cn1c(O)nnc1O 1176359006 RILRLJBMCUWQOG-NSHDSACASA-N 309.370 -0.023 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)Cc2cnn(C)c2)[C@H]1C 1178303009 WLXBCPVFBORFCR-JSGCOSHPSA-N 319.409 -0.156 30 20 DBED C=CCOCCN1C[C@@H]2CCN(C(=O)CCn3cnnn3)[C@@H]2C1 1189522282 BCAYQHVKNMIZCW-UONOGXRCSA-N 320.397 -0.202 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)CCC(C)C)C1 1190944497 VKLAQMUIIXKMDI-MGPQQGTHSA-N 309.410 -0.278 30 20 DBED CC(=O)NC(C)(C)C(=O)N1CC[C@@H](N(C)CC(=O)NCC#N)C1 1192887259 BTZBPLMCLXJNCC-GFCCVEGCSA-N 323.397 -0.926 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2cnoc2C)C[C@H]1O 1192891021 GDVOTLFTDWJCHN-MRVWCRGKSA-N 307.350 -0.317 30 20 DBED COCC#CCN(C)[C@H]1CCN(C(=O)COCCN(C)C)C1 1193489481 XKACLCKIJBOYBC-HNNXBMFYSA-N 311.426 -0.253 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)c2cc3n(n2)CCC3)C1 1193552793 XEVXCYKAEAVIOG-HUUCEWRRSA-N 320.393 -0.193 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)C(=O)NCC(F)F)C1 1194328794 CNMRIUPPZPGNKS-NXEZZACHSA-N 305.325 -0.505 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)COCCOc2ccccc2)C1 1194352045 HZWDGQFVCICBDD-HZPDHXFCSA-N 318.373 -0.124 30 20 DBED CCO[C@H](CC)C(=O)N1CCCN(CC(=O)NCC#N)CC1 1195116435 RTZYOGOLYSOZLA-CYBMUJFWSA-N 310.398 -0.024 30 20 DBED C=CCNC(=O)NC(=O)CN1CCCN(C(=O)[C@@H](C)C#N)CC1 1195314592 NOCBVZKUUXRAKM-LBPRGKRZSA-N 321.381 -0.308 30 20 DBED C#CCO[C@H](C)C(=O)N1CCCN([C@H](C)c2nnnn2C)CC1 1195791814 LJIXOOOIVOZJPM-CHWSQXEVSA-N 320.397 -0.156 30 20 DBED N#CCNC(=O)CNC1CCN(C(=O)Cc2cc[nH]n2)CC1 1199928908 OFWGAPVWGRRKNJ-UHFFFAOYSA-N 304.354 -0.827 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCC(N[C@@H]2CCC(=O)NC2=O)CC1 1200332600 BOOFSKFIEVDPHQ-MLGOLLRUSA-N 323.393 -0.301 30 20 DBED Cn1ncc(CCC(=O)N2CCCO[C@@H](CNCC#N)C2)n1 1201422229 ZIRWCRXRFDUPNL-ZDUSSCGKSA-N 306.370 -0.522 30 20 DBED C[C@H]1CN(C)C[C@H]1C(=O)N1CCC(NCC(=O)NCC#N)CC1 1202504893 WRFGQAWJARUDNP-GXTWGEPZSA-N 321.425 -0.596 30 20 DBED CC#CCNC1CCN(C(=O)CN2CCC(=O)NC2=O)CC1 1203215671 WWNCPNVDSWZEPI-UHFFFAOYSA-N 306.366 -0.468 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)c2cnn(C)c2)C1 1207243176 SBUNQZQSZDPANB-ZDUSSCGKSA-N 305.382 -0.084 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)c2cncnc2O)[C@H](C)C1 1207664602 NSJPQQFWDPMJPJ-ZYHUDNBSSA-N 319.365 -0.466 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)CCN(C)CC)[C@H](C)C1 1210033742 YJFKSEHXXRKINL-ZIAGYGMSSA-N 308.426 -0.486 30 20 DBED C=C(C)CCC(=O)N[C@@H]1CN([C@H]2CCC(=O)NC2=O)C[C@H]1OC 1212346903 HXQCQFZJGISHNP-FRRDWIJNSA-N 323.393 -0.037 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CN(C)CCO2)C[C@H]1C 1214388991 OSMUORHVYRGXRZ-MCIONIFRSA-N 324.425 -0.944 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C 1214450196 NMRIYTKCJTXLNS-BXUZGUMPSA-N 313.361 -0.314 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)C[C@H]2CC(=O)NC2=O)C[C@H]1C 1217124011 RWVDCKSUELHVSR-JHJVBQTASA-N 321.377 -0.875 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(Cc2ccn(C)n2)C[C@@H]1O 1219527604 VUZGCDZVGNESDK-IPYPFGDCSA-N 308.382 -0.592 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)Cc2ccncc2C)C1 1219634991 NEDKCZNEYXBDRG-CVEARBPZSA-N 317.389 -0.256 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)CCc2cncnc2)C1 1220014380 GJHAYSKVTCDSMT-CABCVRRESA-N 318.377 -0.780 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)C2(C)CC=CC2)C1 1220274986 KMDUXNKUFVCBNZ-MJBXVCDLSA-N 319.405 -0.358 30 20 DBED C=CCN1CC[C@@H]2CN(C(=O)[C@@H](C)NS(C)(=O)=O)[C@@H]2C1 1221835298 FYMGHZGBKNCPMH-IJLUTSLNSA-N 301.412 -0.357 30 20 DBED C=CCCN1CCC(CNC(=O)CN2CCNC(=O)C2)CC1 1224033143 FJGADUORIBYRHY-UHFFFAOYSA-N 308.426 -0.178 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1ncn(C)n1 1226011330 IXUUEZHKCRCYIX-VXGBXAGGSA-N 318.381 -0.805 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1NCc1nnn(C)n1 1226187500 LAJULQNPXVWCQZ-JHJVBQTASA-N 320.397 -0.235 30 20 DBED COCC#CCN1CCC(NC(=O)[C@]2(C)CCNC2=O)CC1 1229178118 HCEAIYVXBGWOTG-MRXNPFEDSA-N 307.394 -0.257 30 20 DBED C=CCCC(=O)NCC[C@@H]1CN(CCO)CCS1(=O)=O 1230435960 KQPXSLQEQJXJLW-GFCCVEGCSA-N 304.412 -0.450 30 20 DBED COCC[C@H](NC(=O)C(=O)Nc1ccc(F)cc1C#N)C(N)=O 1255531541 OXCIHODNDOSGQQ-NSHDSACASA-N 322.296 -0.358 30 20 DBED C#CCNC(=O)C1CCN(C(=O)C(C)(C)S(C)(=O)=O)CC1 1256668486 TZYDOLHGSISOOP-UHFFFAOYSA-N 314.407 -0.202 30 20 DBED CCN(C[C@@H]1CCOC1)C(=O)C(=O)N1CC[C@](O)(CC#N)C1 1261484845 LNRQTPKNZYAEJY-SWLSCSKDSA-N 309.366 -0.252 30 20 DBED C=CCOCCNC(=O)C(=O)N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1261582539 VWNPVKXJZWJWOM-MNOVXSKESA-N 320.411 -0.415 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2cnc(N(C)C)cn2)C1 1269026160 SACVNPLFPAWSRT-ZDUSSCGKSA-N 317.393 -0.004 30 20 DBED C[C@H](CNC(=O)C(=O)NCCCCC#N)CN1CCN(C)CC1 1321712268 LTMJVOQYAODTQN-CQSZACIVSA-N 323.441 -0.204 30 20 DBED C=CCNC(=O)[C@@H](C)S(=O)(=O)Cc1cccc(C(N)=O)n1 1322421971 UVLCTOADQNMJCJ-SECBINFHSA-N 311.363 -0.214 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)NC[C@H]1CC(=O)N(C2CC2)C1 1324534731 IJSJTAPFLZDFID-GHMZBOCLSA-N 309.366 -0.569 30 20 DBED N#CC1CCN(C(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC1 1328028882 LAPAMEZQYXGQFH-ZIAGYGMSSA-N 320.393 -0.272 30 20 DBED N#CC1CCN(C(=O)C(=O)N2CC[C@H]3NC(=O)CC[C@H]3C2)CC1 1329646847 DQHIHAMSQVUXFC-QWHCGFSZSA-N 318.377 -0.124 30 20 DBED C[C@H](C(=O)NCCCc1nnc(S)n1C)n1cnc(C#N)n1 1330478265 ASIYNPUAMQNXGU-MRVPVSSYSA-N 320.382 -0.123 30 20 DBED Cc1ncc(CCNC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)s1 1332244254 UJJPKXGBTGPZLD-AWEZNQCLSA-N 322.390 -0.013 30 20 DBED N#CCN1CCC(NC(=O)C(=O)N2C[C@@H]3CC[C@H](C2)N3)CC1 1332287216 IWMQUEVDMSMWHA-BETUJISGSA-N 305.382 -0.947 30 20 DBED C#CCNC(=O)CCNC[C@H]1CCC[C@@H]1NS(C)(=O)=O 1336810297 HFERJBLZZDGUNM-NEPJUHHUSA-N 301.412 -0.567 30 20 DBED COCCNC(=O)[C@H](C#N)C(=O)c1ccc(CNC(N)=O)cc1 1342516837 CECREAKAWONUJJ-GFCCVEGCSA-N 318.333 -0.060 30 20 DBED CC#CCN(C)C(=O)C(=O)Nc1ccn(CC(=O)N(C)C)n1 1343949953 LJPZMWYLKYHWDH-UHFFFAOYSA-N 305.338 -0.609 30 20 DBED C[C@H](C(=O)NC1(C#N)CCC1)N1CCC(C(=O)NCCO)CC1 1349658877 QKAJXIRKQSFQDP-GFCCVEGCSA-N 322.409 -0.242 30 20 DBED C=CCn1c([C@H]2CNC(=O)C2)nnc1N(C)CCC(=O)NC 1355379678 OPLPGPYMWDDXHX-SNVBAGLBSA-N 306.370 -0.360 30 20 DBED N#CCc1ccccc1CC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1O 1363089643 RCERQPNUPJFVRR-CHWSQXEVSA-N 308.359 -0.431 30 20 DBED N#Cc1ccnc(C(=O)NCCc2nnc3n2CCNC3=O)c1 1363607817 ZAVJVVYUYNZXLS-UHFFFAOYSA-N 311.305 -0.739 30 20 DBED N#CC1(CNC(=O)NCC2(O)CCS(=O)(=O)CC2)CCC1 1365224167 SLBRZBNLEYAQLJ-UHFFFAOYSA-N 315.395 -0.081 30 20 DBED C=C(Cl)CNC[C@H](C)NC(=O)CNC(=O)CNC(C)=O 1367746116 WGSJNSPLBLUYPS-VIFPVBQESA-N 304.778 -0.915 30 20 DBED CC(=O)NCC(=O)N(C)[C@H](C)CNC(=O)c1cc(C#N)c[nH]1 1369813439 XFZYSTRDEQCGRF-SECBINFHSA-N 305.338 -0.401 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@@H]1CCN(C(=O)CCn2cnnn2)C1 1372089048 PDWHCDLZCNURGQ-GHMZBOCLSA-N 305.342 -0.718 30 20 DBED Cn1cccc1C(=O)NC[C@@H](O)CNC(=O)c1cc(C#N)c[nH]1 1376496703 DSKMWDBHGYVKRJ-NSHDSACASA-N 315.333 -0.254 30 20 DBED Cc1ccn(CC(=O)N[C@H](C)CNC(=O)[C@@H](C)C#N)c(=O)c1 1376966588 SWPOZPDSSWGAEB-NWDGAFQWSA-N 304.350 -0.063 30 20 DBED CCCN(CCNC(=O)[C@@H](C)C#N)C(=O)CN1CCOCC1 1387449150 WPCMWBJFMFRWOF-ZDUSSCGKSA-N 310.398 -0.167 30 20 DBED C[C@H](C#N)C(=O)NCCN(C)C(=O)[C@@H]1CCc2nnnn2CC1 1398016585 UCQPNISJGBYPRW-GHMZBOCLSA-N 319.369 -0.640 30 20 DBED COCC1(CC(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2O)CC1 1406257823 MLWSKUNHNLJBOX-QJPTWQEYSA-N 309.366 -0.349 30 20 DBED Cc1nn(C)c(=O)c(C(=O)N[C@@H](C)CNC(=O)[C@@H](C)C#N)c1C 1416928076 GKKAFWPSIMDNCQ-IUCAKERBSA-N 319.365 -0.209 30 20 DBED N#Cc1cn(CC(=O)N2CCC[C@]23CCOC3=O)c(=O)nc1O 1417719975 FMRNCVYFFOOINY-CQSZACIVSA-N 318.289 -0.871 30 20 DBED CNC(=O)c1cccc(C(=O)N[C@@H](C)CNC(=O)[C@@H](C)C#N)n1 1428785615 BJPXSHAXSDUDAE-UWVGGRQHSA-N 317.349 -0.165 30 20 DBED CN(CCNC(=O)c1cnn(C)n1)C(=O)c1c[nH]c(C#N)c1 1431373195 OJJILIULYFUCNY-UHFFFAOYSA-N 301.310 -0.483 30 20 DBED C[C@H](C#N)C(=O)N(C)CCN(C)C(=O)Cn1ccc(O)nc1=O 1431387920 KNSNILBHWZTBKN-SNVBAGLBSA-N 321.337 -0.975 30 20 DBED CCN(CCC#N)C(=O)CN1CC(NC(=O)CC2(O)CCC2)C1 1438049727 VTLUDIMFFSHHBQ-UHFFFAOYSA-N 322.409 -0.146 30 20 DBED COCC(=O)N(C)CC(=O)N(CCNC(=O)[C@@H](C)C#N)C1CC1 1449936547 MAMUFKKIZXMXPR-NSHDSACASA-N 324.381 -0.642 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](C1CC1)N(C)C(=O)Cn1cnnn1 1450797807 GJQDRRUSYXQMIC-KOLCDFICSA-N 305.342 -0.814 30 20 DBED C[C@H](CNC(=O)c1ncn(C)n1)NC(=O)c1ccc(C#N)[nH]1 1454603500 ZQXJVHCWMOJNLN-MRVPVSSYSA-N 301.310 -0.437 30 20 DBED CCOCC1(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)CC1 1489594352 XXOJUYVLVSVMQW-TUAOUCFPSA-N 309.366 -0.349 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)c2cccn(C)c2=O)C1 1490569682 IHOOJMZUHBHKOJ-LBPRGKRZSA-N 318.377 -0.508 30 20 DBED CN(CCNC(=O)[C@@H]1CCC(=O)N1C)C(=O)c1c[nH]c(C#N)c1 1496410427 XGUNAMZAXGBASW-LBPRGKRZSA-N 317.349 -0.305 30 20 DBED CC(C)NC(=O)[C@H](C#N)C(=O)c1cn(CC(=O)N(C)C)nn1 1516674648 FZSNJNXRMWGOOL-SECBINFHSA-N 306.326 -0.787 30 20 DBED COC(=O)CN(CC(=O)O)C(=O)c1nc(O)c(C#N)cc1C 1571096293 LEBBOAJUDRTKDL-UHFFFAOYSA-N 307.262 -0.333 30 20 DBED C[C@@H](OCc1cnn[nH]1)C(=O)NC1(CNCC#N)CCOCC1 1575845762 YDCAZMNRJMKZRI-LLVKDONJSA-N 322.369 -0.512 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NCCC(=O)NCCC(=O)O 1588546799 CTVXJWHDBGNMKM-NSHDSACASA-N 313.354 -0.446 30 20 DBED C=C1C[C@@H]2CC[C@H](C1)N2C(=O)C(=O)N1C[C@@H](C(=O)O)C[C@@H](O)C1 1588644296 NGBURIFNDJJGQX-WUHRBBMRSA-N 322.361 -0.010 30 20 DBED CC#CC[C@@H](CO)NC(=O)Cc1noc(C)c1-c1nn[nH]n1 1588737461 FAOQQTPSTHAGEU-VIFPVBQESA-N 304.310 -0.404 30 20 DBED C=CCOC[C@H](NC(=O)COc1ccc(C(N)=O)cc1)C(=O)O 1588853623 CREDHIYTQJMXBD-LBPRGKRZSA-N 322.317 -0.064 30 20 DBED C[C@@H]1C[C@@]1(C(=O)O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1594226501 QTKNDSBTAFFWFL-RQUJDRBISA-N 307.306 -0.260 30 20 DBED CN(CCN(C)c1nccnc1C#N)C(=O)[C@H]1C[C@H]1C(=O)O 1598487570 WHGSPGLBHSMMFB-VHSXEESVSA-N 303.322 -0.036 30 20 DBED CO[C@@H]1CN(c2ncc(C(=O)O)cn2)C[C@H]1NC(=O)[C@H](C)C#N 1599323163 BUZYXLAMYRDHBR-FBIMIBRVSA-N 319.321 -0.346 30 20 DBED N#CC1(CNS(=O)(=O)c2cc(C(=O)O)[nH]n2)CCOCC1 1601056401 YQRLMTPNGNLUDX-UHFFFAOYSA-N 314.323 -0.293 30 20 DBED N#Cc1cccc(C(=O)NC2(C(=O)O)CCS(=O)(=O)CC2)n1 1601114462 AINZIDDVVGABKM-UHFFFAOYSA-N 323.330 -0.285 30 20 DBED C#CCN(CC(=O)O)C(=O)NCCCN1CCC[C@H](C(N)=O)C1 1602686113 QPXDXCUTBHYSGF-LBPRGKRZSA-N 324.381 -0.697 30 20 DBED C[C@H](CN1CCCC1=O)Nc1cnc(C#N)c(-c2nn[nH]n2)n1 1603517475 KTTDGUJJIHDRHR-MRVPVSSYSA-N 313.325 -0.049 30 20 DBED N#CC1(CNC(=O)C(=O)Nc2cccc(-c3nn[nH]n3)n2)CC1 1609493578 LMYMQRPCGGQEKY-UHFFFAOYSA-N 312.293 -0.380 30 20 DBED CC(C)(C)C[C@@H](NS(=O)(=O)N1CCO[C@H](C#N)C1)C(=O)O 1609656410 UJFYUJMHASHEOO-NXEZZACHSA-N 319.383 -0.065 30 20 DBED COC(=O)c1c(S(=O)(=O)N2CCO[C@H](C#N)C2)n[nH]c1C 1647086214 SBAJNOVYHWUFPM-MRVPVSSYSA-N 314.323 -0.582 30 20 DBED C=C(Br)Cn1nnnc1N(C)[C@H]1CCNC1=O 1647500826 ZHDOPLXUVJCZST-ZETCQYMHSA-N 301.148 -0.094 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1C[C@@H](NC(=O)[C@]2(C)CCC(=O)N2)C1 1752764875 CHZFVWGUTSOXTN-YMEQNVIZSA-N 320.393 -0.970 30 20 DBED C=CCNC[C@@H]1CCN(C(=O)CN2CCCS2(=O)=O)C1 1752939072 WTNCUYQJHLSOJD-LBPRGKRZSA-N 301.412 -0.354 30 20 DBED COc1nc(C(=O)NCC[C@@H](C)NCC(=O)NCC#N)co1 1753009109 AZAYYLDYNFYPOZ-SECBINFHSA-N 309.326 -0.579 30 20 DBED C=CCNC(=O)CN1CC[C@H](CNC(=O)c2n[nH]cc2F)C1 1753135983 QWXJEBCJDLUQPX-SNVBAGLBSA-N 309.345 -0.097 30 20 DBED COCC#CCN(CCNC(=O)[C@H]1CCN(C)C1=O)C1CC1 1753159910 OYCQZEJJLJAELH-CQSZACIVSA-N 307.394 -0.305 30 20 DBED N#CCNC(=O)CN(CCNC(=O)[C@H]1C[C@]12CCOC2)C1CC1 1753161238 BNJIQXIJNUUTRG-CJNGLKHVSA-N 320.393 -0.367 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H](O)CNCC(=O)NCCC)nc1 1753934224 UCJPVUDKWNRFOL-ZDUSSCGKSA-N 318.377 -0.731 30 20 DBED Cn1ncnc1CN1C[C@H]2C[C@H]1[C@H]2NC(=O)CSCC#N 1754420506 LLRFXUQCYDAZER-NRUUGDAUSA-N 306.395 -0.239 30 20 DBED N#CCN1CC[C@@H]1CNC(=O)CN1CCCCS1(=O)=O 1754488617 HGIATNFIFPJOLQ-LLVKDONJSA-N 300.384 -0.874 30 20 DBED C=CCCOCC(=O)N1CC[C@H](N2CCN(CC(N)=O)CC2)C1 1755019676 PGJKKVXWARYIDL-AWEZNQCLSA-N 324.425 -0.717 30 20 DBED C[C@H](C(N)=O)N1CC2(CC[C@H](CNC(=O)C#CC3CC3)O2)C1 1755054508 PAVMPIGIBKLUJN-DGCLKSJQSA-N 305.378 -0.377 30 20 DBED CN(CC(C)(C)CNCC#N)C(=O)[C@@H]1CCS(=O)(=O)N1 1755287332 WREZCWRVBACJHK-JTQLQIEISA-N 302.400 -0.724 30 20 DBED N#CCN1CC(CCO)(NC(=O)COCc2ccncc2)C1 1755337443 GLIOOZLMPMOPQQ-UHFFFAOYSA-N 304.350 -0.325 30 20 DBED Cc1cc(COCC(=O)N(C)C[C@H](O)CN(C)CC#N)no1 1755802705 YNDVTQOXUZTFNC-CYBMUJFWSA-N 310.354 -0.226 30 20 DBED CC(C)(C)[C@@H](CNCC(=O)NCC#N)NC(=O)c1ccnnc1 1755833299 HZDIYNFBEQBGDO-GFCCVEGCSA-N 318.381 -0.150 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H](C)C1CN(C(=O)CCCCNC(N)=O)C1 1756155767 CWZUSMYWBUOQAE-QWRGUYRKSA-N 323.397 -0.052 30 20 DBED C#Cc1ccc(C(=O)NCCC[C@H](C)NC(=O)CC(N)=O)nc1 1756288557 FIMHPZJBJSPZNI-NSHDSACASA-N 316.361 -0.047 30 20 DBED C=CCCC(=O)NC[C@@H](CO)NC(=O)c1cc(=O)c(OC)co1 1756518080 HNPQORSDWDAVKO-JTQLQIEISA-N 324.333 -0.179 30 20 DBED C=CC(C)(C)C(=O)NC[C@@H](O)CN(C)C(=O)CNC(=O)OC 1756654604 XTYOCBYJQCSROR-SNVBAGLBSA-N 315.370 -0.510 30 20 DBED C=C(C)C[C@H](C)C(=O)NC[C@H](O)CN(C)C(=O)c1ncn(C)n1 1756660996 PYCPGGDPRIZFGI-RYUDHWBXSA-N 323.397 -0.034 30 20 DBED C=C[C@](C)(O)CC(=O)NC1CC(N(C)C(=O)c2nnn(C)n2)C1 1756746570 LXFXAGMANWZIPU-FDZGAKKTSA-N 322.369 -0.744 30 20 DBED COCC1(C(=O)N[C@@H]2CN(C(=O)C#CC(C)C)C[C@@H]2O)CC1 1757191643 VCIIMRIBOGDLCY-OLZOCXBDSA-N 308.378 -0.240 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1[C@H]3COC[C@H]31)CCO2 1783053632 MUWDBMWQLMJCSS-DMEJVMROSA-N 304.346 -0.658 30 20 DBED C=CCNC(=O)NC(=O)CN1C(=O)C(=O)N(C2CCCC2)C1=O 3546523 LYWYKUIVPVBPSJ-UHFFFAOYSA-N 322.321 -0.268 30 20 DBED Cn1c(=O)c2c(ncn2CCC(=O)OCCCC#N)n(C)c1=O 26005113 LODAQSKXUPTKEH-UHFFFAOYSA-N 319.321 -0.329 30 20 DBED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCOCC3)CC2)o1 29692550 ZIKICWSKGZUNFN-UHFFFAOYSA-N 319.365 -0.165 30 20 DBED CCN(CC#N)C(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 68240897 OUXLRGNRRWPWJU-QWRGUYRKSA-N 313.379 -0.606 30 20 DBED C#CCOCCC(=O)N1CCN(C(=O)CN2CCCC2)CC1 130429069 BSIUMLSSMSDYNF-UHFFFAOYSA-N 307.394 -0.207 30 20 DBED CCN(CC(N)=O)CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 191734892 IBFDJXAYTOXVGA-ZDUSSCGKSA-N 309.414 -0.514 30 20 DBED C/N=C(/NCC(=O)N(C)C)NCC(=O)N1CCc2ccccc21 262164810 CNVLSQFXKYUIAF-UHFFFAOYSA-N 317.393 -0.171 30 20 DBED C/N=C(/NCC1(O)CCC1)N1CCN(C(=O)[C@H]2CCCO2)CC1 262785772 MKAYNMYURLBSRX-CYBMUJFWSA-N 324.425 -0.200 30 20 DBED CN1CCN(CCNS(=O)(=O)c2cccnc2C#N)CC1 277228273 SNLORWOOCBFCSY-UHFFFAOYSA-N 309.395 -0.521 30 20 DBED COC(=O)[C@@H]1COCCN1S(=O)(=O)c1cncc(C#N)c1 289367817 AWNFBTIVPUHLEA-NSHDSACASA-N 311.319 -0.484 30 20 DBED CS(=O)(=O)N1CCC[C@@H]1C/N=C(/O)NC[C@@]1(O)CCOC1 328851817 SCRBTTOLHXPPKJ-PWSUYJOCSA-N 321.399 -0.935 30 20 DBED COC(=O)[C@H]1CN(/C(O)=N/CCNC(=O)C(C)(C)C)CCO1 330592076 RQIHXWYGIHILHI-SNVBAGLBSA-N 315.370 -0.064 30 20 DBED C[C@H](O)CN1CCN(/C(O)=N/CCCS(C)(=O)=O)C[C@@H]1C 330875546 ZYRCFEAKNZRMIQ-RYUDHWBXSA-N 321.443 -0.278 30 20 DBED COCCN(CCC#N)S(=O)(=O)N(CC(N)=O)CC(C)C 336909766 HHCYYNLVSQXLEE-UHFFFAOYSA-N 320.415 -0.463 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)NC[C@H]1CN2CCN1CC2 337782269 UOCOAKMASRKZCQ-RYUDHWBXSA-N 301.416 -0.945 30 20 DBED CN(C)S(=O)(=O)c1ccc(C(=O)NCC(=O)NCC#N)cc1 339926108 YKZOLDUIOGLVAC-UHFFFAOYSA-N 324.362 -0.694 30 20 DBED COC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccc(C#N)cn2)CCO1 339998973 MRICGYVCQQIMPM-JTQLQIEISA-N 318.289 -0.708 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCCC[C@H](C)CO)C1=O 340412069 OHSUEZKJUCOPEH-JTQLQIEISA-N 311.338 -0.512 30 20 DBED N#C[C@H]1CSCCN1C(=O)CCN1CCCS1(=O)=O 342076347 OUGFHQNZGUYIKG-JTQLQIEISA-N 303.409 -0.120 30 20 DBED CN(CCC(N)=O)C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 343423679 RWLODMWNNUHCEI-UHFFFAOYSA-N 323.374 -0.193 30 20 DBED CS(=O)(=O)c1nccn1CC(=O)N(CCC#N)CCC#N 344159022 NEFGFVJPZXZKMM-UHFFFAOYSA-N 309.351 -0.057 30 20 DBED C[C@@H](C#N)C(=O)Nc1cnn(CC(=O)N2CCN(C)CC2)c1 347130242 IFMNAWZNWLHFMV-NSHDSACASA-N 304.354 -0.245 30 20 DBED C[C@@H]1CCN(S(=O)(=O)CCCS(=O)(=O)NCC#N)C1 349497865 CFPQMEZBAVIBCP-SNVBAGLBSA-N 309.413 -0.509 30 20 DBED N#CCC(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 356054266 FBJGKNGGLUTBBS-UHFFFAOYSA-N 308.363 -0.104 30 20 DBED C=CCOC[C@H](NC(=O)CSc1n[nH]c(O)n1)C(=O)OC 357678028 WMBCSMYIUVCIJN-ZETCQYMHSA-N 316.339 -0.537 30 20 DBED COC(=O)[C@@H]1CCN(C(=O)NCCn2cnc(C#N)n2)[C@H]1C 357853135 AIHFIUKXWHBKHY-VHSXEESVSA-N 306.326 -0.257 30 20 DBED CNC(=O)[C@H](CO)NS(=O)(=O)c1cc(C#N)ccc1Cl 360131765 MZJMNYXYRPSIJM-VIFPVBQESA-N 317.754 -0.403 30 20 DBED C#CCCCS(=O)(=O)N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 376391143 JBAFGOCKBXISRE-NSHDSACASA-N 313.379 -0.302 30 20 DBED C[C@H](O)CN1CCN(S(=O)(=O)N(C)CCC#N)[C@@H](C)C1 408422391 QTTGAFMCAYIRFZ-RYUDHWBXSA-N 304.416 -0.536 30 20 DBED C[C@@H]1CCN(C(=O)C(=O)Nc2ccn(CCC#N)n2)[C@@H]1CO 443819850 ZCRGPUVAFAKJKM-GHMZBOCLSA-N 305.338 -0.035 30 20 DBED C#CCN1CCN(C(=O)CN(CCC)CC(=O)N(C)C)CC1 490780708 PPQBYHZJWGTZIB-UHFFFAOYSA-N 308.426 -0.436 30 20 DBED C#CCNC(=O)CN1CCN(CCN2CCO[C@@H](C)C2)CC1 491103065 OCMJEUSLMZHGJG-HNNXBMFYSA-N 308.426 -0.926 30 20 DBED C#CCNC(=O)CCNC1CCN(S(=O)(=O)CCC)CC1 491715889 RDIQKKVQNHUYML-UHFFFAOYSA-N 315.439 -0.080 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC[C@H](CN(C)S(C)(=O)=O)C1 491762017 YUSUBSGJGSUTIG-QWHCGFSZSA-N 315.439 -0.272 30 20 DBED C[C@@H](C#N)CNS(=O)(=O)c1cnc2c(c1)c(O)nc(=O)n2C 530586940 XEPPIYXRUSVSGV-ZETCQYMHSA-N 323.334 -0.528 30 20 DBED N#Cc1ccc(NCC(=O)NCCCn2cccnc2=O)nc1 594362172 ATIRLJGADBXNPN-UHFFFAOYSA-N 312.333 0.128 30 20 DBED C=CCCSCCNC(=O)C(=O)N1C[C@H](O)[C@@H](CO)C1 595189241 QOCYHIHTOAIPAT-MNOVXSKESA-N 302.396 -0.777 30 20 DBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC/C=C/CO 597992780 NRZHZCHMNGGRAJ-KXMPLOMGSA-N 323.374 -0.110 30 20 DBED C=CCN(CCOC)C(=O)[C@H]1CCCN(S(N)(=O)=O)C1 613932622 GCLKHVRCJUETOC-NSHDSACASA-N 305.400 -0.437 30 20 DBED C=CCCOCCNC(=O)C(=O)N1CCO[C@H](COCC)C1 636826469 MEXVRBBONUTAQS-ZDUSSCGKSA-N 314.382 -0.041 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2CC[C@@H](C(=O)N(C)C)O2)nn1 648345547 XVZSWYQRHORVFO-PWSUYJOCSA-N 307.354 -0.170 30 20 DBED C=CCn1cc(C(=O)N2CC[C@@H](S(=O)(=O)NCC)C2)nn1 648850749 GZSZFXVQZWXUAS-SNVBAGLBSA-N 313.383 -0.382 30 20 DBED N#Cc1ccc(NCC(=O)N2CCNC(=O)[C@@H]2CC(=O)O)cc1 739121740 UMWOVNGPOYPBBT-LBPRGKRZSA-N 316.317 -0.228 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)Cn1cnc2c(N)ncnc21 750506621 QVKWFYJYOVUFDI-QMMMGPOBSA-N 302.294 -0.910 30 20 DBED C#C[C@@H](NC(=O)NCCCN(C)S(C)(=O)=O)[C@@H]1CCCO1 773232520 TUMWVYSVFVISBD-NEPJUHHUSA-N 317.411 -0.252 30 20 DBED C#CCCCNC(=O)C(=O)N[C@@H]1CCN(C2CCN(C)CC2)C1 806209893 GSUZGPIQLBGUBO-CQSZACIVSA-N 320.437 -0.199 30 20 DBED C#CC[C@@H](CO)NC(=O)[C@H](C)NS(=O)(=O)c1cccs1 820059446 FPOUQHPPITZTPV-UWVGGRQHSA-N 316.404 -0.085 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)C2[C@@H]3CCC[C@@H]23)CC1 831565241 PPFJUUFWCHDLQM-VXGBXAGGSA-N 311.407 -0.356 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@@](C)(CC)OC)CC1 831575089 WUYQLRBUTXTBRB-CYBMUJFWSA-N 317.411 -0.587 30 20 DBED N#CCN(CC(=O)O)CC(=O)NC(=O)NCc1ccccc1 833065476 ABGAECPUSNQEPL-UHFFFAOYSA-N 304.306 -0.077 30 20 DBED N#CCN(CC(=O)O)CC(=O)NC1CCC2(CC1)OCCO2 833066368 WIZZKCPYDUSWAY-UHFFFAOYSA-N 311.338 -0.302 30 20 DBED N#C[C@@H]1CNC[C@@H]1NC(=O)[C@H]1CC[C@H](C(F)(F)F)NC1=O 843458868 ARJAIBVNHOXRJY-LURQLKTLSA-N 304.272 -0.329 30 20 DBED C[C@H]1C[C@@H](NC(=O)C(=O)N2CCN(CCC#N)CC2)CCN1 884717709 JUHWBKOIZYVTLJ-STQMWFEESA-N 307.398 -0.699 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)C3(C(N)=O)CC3)C2)[nH]1 940062912 RDGPBJZRLNABIP-SNVBAGLBSA-N 315.333 -0.517 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCN(CC(=O)NC)C[C@H]2C)nn1 943480511 DTMXOVIDOWAPOF-VXGBXAGGSA-N 320.397 -0.350 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@H](CNC(=O)c2cncnc2)C1 944558808 JTZAYDHRJFFAJE-ZYHUDNBSSA-N 303.322 -0.407 30 20 DBED C[C@@H]1CN(C(=O)CC(N)=O)CC[C@@H]1NC(=O)c1ccc(C#N)[nH]1 945230360 ZMYJOIHWFLOHRV-KOLCDFICSA-N 317.349 -0.271 30 20 DBED C#CCCN1CC[C@H](NC(=O)CN2C(=O)CN(C)C2=O)C[C@@H]1C 948011335 HULSVCVRRGMGSD-STQMWFEESA-N 320.393 -0.127 30 20 DBED N#CCN1CCC2(CC1)CN(C(=O)[C@H]1CC[C@@H]1C(N)=O)CCO2 949154112 PEDOMXTUIPVRBF-STQMWFEESA-N 320.393 -0.285 30 20 DBED N#Cc1ccc(C(=O)NC[C@H]2CCN2C(=O)[C@@H]2CCC(=O)N2)[nH]1 949452761 POJIXWVYTGTDLQ-PWSUYJOCSA-N 315.333 -0.504 30 20 DBED CN(C(=O)Cn1ncnn1)C1CCN(C(=O)C#CC2CC2)CC1 953960388 MQKWSLVCYQHXIT-UHFFFAOYSA-N 316.365 -0.464 30 20 DBED C[C@]1(NC(=O)[C@@H]2CCNC2=O)CCN(C(=O)C#CC2CC2)C1 957269615 JYMWXVWUXGHCQG-WBMJQRKESA-N 303.362 -0.357 30 20 DBED C#CCCN1C[C@@H](O)[C@H](CNC(=O)c2cnn3cccnc23)C1 958309300 JPQOJIYWLYHWOH-TZMCWYRMSA-N 313.361 -0.225 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CN(C(=O)[C@H]3CCC(=O)N3C)C[C@H]2C1 962182626 MMDNCOOTNQUVGW-FVCCEPFGSA-N 318.377 -0.316 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@H](NC(=O)c2ncn(C)n2)C1 962721330 CLOHZHRPSMVYCG-ZJUUUORDSA-N 307.354 -0.671 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CC[C@H](CNC(=O)c3nc[nH]n3)O2)C1 965567674 PQJOVWXKXIUGQM-VHSXEESVSA-N 318.337 -0.546 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)CN3CCCC3=O)C[C@H]21 974975991 SQUSAFUCVMGZQI-JHJVBQTASA-N 318.377 -0.172 30 20 DBED Cc1ccnn1CC(=O)N[C@H]1[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]21 976520656 ATPUPETXRICVHJ-WUWHUORYSA-N 301.350 -0.076 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]1CN(C)C(=O)c1cn(C)c(=O)n1C 977889389 YVADWCZVIIIOMO-QWRGUYRKSA-N 319.365 -0.444 30 20 DBED C#CCN1C[C@H]2[C@H](CNC(=O)[C@@H]3CN4CC5CC4(CO3)C5)[C@H]2C1 978553219 GVTDWMXLFOAFDV-UEIJKTBSSA-N 315.417 -0.223 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CCC[C@@H](NC(=O)C(N)=O)C2)[nH]1 983574767 AMQJKPYVOIJFFU-RKDXNWHRSA-N 303.322 -0.471 30 20 DBED C#CCN(C)C1CCN(C(=O)CC[C@H]2NC(=O)NC2=O)CC1 985782426 WLPLHPVOJITVPX-GFCCVEGCSA-N 306.366 -0.469 30 20 DBED C[C@@H]1[C@@H](NCC#N)CCN1C(=O)c1cn(CC(=O)N(C)C)nn1 987573415 AXKGMPONUBZVMD-MNOVXSKESA-N 319.369 -0.918 30 20 DBED Cc1cc(C)n(CC(=O)N2C[C@H](NCC#N)C[C@@H]2C)c(=O)n1 989615348 PMWNLYPQBWMSAS-QWHCGFSZSA-N 303.366 -0.037 30 20 DBED C#CCN[C@H]1C[C@@H](C)N(C(=O)c2cn(CC(=O)N(C)C)nn2)C1 989831176 IHKWPPZIIZHLGE-NEPJUHHUSA-N 318.381 -0.808 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)COC)C[C@@H]2O)nc1 991640362 PZGGHJWFINJPDW-JSGCOSHPSA-N 317.345 -0.599 30 20 DBED C=CCN[C@@H]1CN(C(=O)Cn2nc(C)n(C)c2=O)CC1(C)C 996575772 SKXOZFVXUQPRDY-GFCCVEGCSA-N 307.398 -0.097 30 20 DBED C#CCN1CCC(CNC(=O)[C@H]2CC(=O)N(CCOC)C2)CC1 1001460895 XLILUVNMJBAOMV-HNNXBMFYSA-N 321.421 -0.057 30 20 DBED C[C@H](NC(=O)[C@@H]1CCCNC1=O)C1CN(C(=O)C#CC2CC2)C1 1006255490 HJTZXHIVMZFTRZ-SMDDNHRTSA-N 317.389 -0.111 30 20 DBED C=CCn1cc(C(=O)N2C[C@H]3C(NC(=O)C(F)F)[C@@H]3C2)nn1 1012639617 FDLWGPMXBQPIGE-HTQZYQBOSA-N 311.292 -0.084 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2C(NC(=O)CN3CCCC3=O)[C@@H]2C1 1012753010 ZAXXYRTTZXAZAG-GMTAPVOTSA-N 304.350 -0.659 30 20 DBED Cc1nc(CC(=O)NC2[C@@H]3CN(C(=O)[C@@H](C)C#N)C[C@@H]23)n[nH]1 1013063674 OSWNLBHOYZWHOF-FXBDTBDDSA-N 302.338 -0.612 30 20 DBED N#Cc1ccc(CN2CC[C@H](NC(=O)[C@H]3CNC(=O)N3)C2)cc1 1015634093 KYEJMYUHYDPVKJ-UONOGXRCSA-N 313.361 -0.070 30 20 DBED C[C@H]1[C@@H](NC(=O)[C@H]2CCC(=O)N2)CCN1C(=O)C#CC1CC1 1020248841 OSUSTCYUUFKGNT-WCFLWFBJSA-N 303.362 -0.216 30 20 DBED Cn1cc(C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2O)cn1 1023021005 QWHWKYIFPUCQMJ-CHWSQXEVSA-N 302.334 -0.865 30 20 DBED N#Cc1cc(C(=O)N[C@H]2C[C@H](NC(=O)C(N)=O)C23CCC3)c[nH]1 1025903384 CPFDZFOSSRVMCF-QWRGUYRKSA-N 315.333 -0.471 30 20 DBED CN1CCN(CC(=O)NC2CCC(NCC#N)CC2)CC1=O 1026517920 VMBMTJHRFUKCDM-UHFFFAOYSA-N 307.398 -0.699 30 20 DBED C#CCCN1CC[C@@H](CNC(=O)[C@@H]2CCN(C)S2(=O)=O)C1 1028862117 LZURAAMNOPIFHN-STQMWFEESA-N 313.423 -0.518 30 20 DBED CC#CCN1CC[C@@H](CNC(=O)c2cc(=O)n3[nH]cnc3n2)C1 1028928418 JGMJKUSYVJLCCI-NSHDSACASA-N 314.349 -0.507 30 20 DBED CC#CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cnc(O)n(C)c1=O 1032557050 JXLZTUGBYKDGHS-QWRGUYRKSA-N 302.334 -0.592 30 20 DBED C#CCN1CC[C@@H](N(C)C(=O)CN2C(=O)NC(=O)C2(C)C)C1 1033556364 ZZIHUZBRPAAUOJ-LLVKDONJSA-N 306.366 -0.517 30 20 DBED C#CCCN1CC[C@@H](N(CC)C(=O)c2cn(CC(N)=O)nn2)C1 1034047996 CWOLVLVKSJLUQM-GFCCVEGCSA-N 318.381 -0.677 30 20 DBED C=CCN1CCO[C@H](CNC(=O)c2cc(=O)n3[nH]cnc3n2)C1 1035575711 GEKLCUUQRBMXHT-SNVBAGLBSA-N 318.337 -0.966 30 20 DBED C=C(C)CN[C@H]1CCN(C(=O)Cn2ncn(C)c2=O)C[C@H]1C 1036079650 HNVZFOJZPAHCTN-OLZOCXBDSA-N 307.398 -0.016 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCN1CCn1cncn1 1038366483 IBBGRTCDWKYKQO-CABCVRRESA-N 316.409 -0.434 30 20 DBED C#CCCCC(=O)NC[C@]1(O)CCN(C(=O)[C@H]2CCOC2)C1 1039572742 BZDIRWWGGMRZNR-XJKSGUPXSA-N 308.378 -0.094 30 20 DBED C#CCN1CCC[C@]2(CCN(C(=O)[C@H]3CN(C)C(=O)N3)C2)C1 1040327999 IZGMSSSTIJBYGB-CJNGLKHVSA-N 304.394 -0.042 30 20 DBED Cc1ncc(CC(=O)N2CC[C@](O)(CNC(=O)[C@H](C)C#N)C2)o1 1040760029 LMZWHDVKSDXYBW-BMIGLBTASA-N 320.349 -0.235 30 20 DBED CCN(C)CCC(=O)N1CC[C@](O)(CNC(=O)[C@H](C)C#N)C1 1040762160 ZRHUEHXLWQBRBL-DOMZBBRYSA-N 310.398 -0.433 30 20 DBED C=C[C@](C)(CC)C(=O)NC[C@@]1(O)CCN(C(=O)CC(N)=O)C1 1040812250 IMLYYTHBAQQPEB-CABCVRRESA-N 311.382 -0.456 30 20 DBED Cc1ccc(C#N)c(N2C[C@@H](O)[C@H](NC(=O)c3cc[nH]n3)C2)n1 1040928423 LXJWRGQRLKVNJK-CHWSQXEVSA-N 312.333 -0.036 30 20 DBED Cn1nccc1C(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@H]1O 1040942701 IGWHMPGVZSELQE-DGCLKSJQSA-N 312.333 -0.334 30 20 DBED N#Cc1cncc(N2C[C@@H](O)[C@H](NC(=O)c3nccs3)C2)n1 1041143708 RNAVPXIZTBIZBV-NXEZZACHSA-N 316.346 -0.216 30 20 DBED COCC(=O)NCC1(O)CN(C(=O)CC#Cc2ccccc2)C1 1041165996 NUWHNKSADRJBDG-UHFFFAOYSA-N 316.357 -0.236 30 20 DBED Cc1nsc(N2C[C@@H](O)[C@H](NC(=O)c3cnn[nH]3)C2)c1C#N 1041434633 MQHFYPINPONDMP-NXEZZACHSA-N 319.350 -0.579 30 20 DBED Cc1cc(C#N)nc(N[C@H]2C[C@H]3CC[C@H]2N(C(=O)C(N)=O)C3)n1 1041679920 WVZQLTIVLZQBPN-ADEWGFFLSA-N 314.349 -0.067 30 20 DBED C=CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)[C@@H](C)OC)C1 1041773493 TUIHZDFAFVXOLP-GHMZBOCLSA-N 300.355 -0.698 30 20 DBED C=CCN1CC[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)C[C@H]21 1042346951 YOSJRNPCFQIFJL-VXGBXAGGSA-N 306.366 -0.353 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(O)CN(C(=O)Cc2ccc[nH]2)C1 1042810307 BLHVGGYFZUYFIK-HNNXBMFYSA-N 321.377 -0.426 30 20 DBED Cc1ccnn1CC(=O)NCC1(O)CN(C(=O)[C@@H](C)C#N)C1 1043084241 GTNGWFQNSQRDCK-JTQLQIEISA-N 305.338 -0.959 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)c2c[nH]cc2C)C1 1043109163 ISGHGXDWCSVVNI-GFCCVEGCSA-N 319.361 -0.335 30 20 DBED C=CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2cncnc2)C1 1043571739 RYJULEBMKHXOBY-NSHDSACASA-N 320.349 -0.629 30 20 DBED C#CCN[C@H]1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)[C@@H](C)C1 1044624580 JNNFECGJGIJASL-STQMWFEESA-N 318.377 -0.851 30 20 DBED N#Cc1nc(=N[C@@H]2CC[C@H](CNC(=O)c3nc[nH]n3)C2)cc[nH]1 1047366764 XGDGORRRMOJXJN-VHSXEESVSA-N 312.337 -0.101 30 20 DBED C#CCO[C@H](C)C(=O)N(C)[C@H]1CN(C(=O)c2cc[nH]c2)C[C@@H]1O 1048851986 ASPIOKYOBLRRNH-XBFCOCLRSA-N 319.361 -0.303 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)CCCN(C)C)C[C@@H]1O 1049395773 YFJCCLUSVIPNAO-AVGNSLFASA-N 310.398 -0.482 30 20 DBED C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1cnc(O)n(C)c1=O 1049633766 LUNSMOPIIGCHEF-STQMWFEESA-N 316.361 -0.202 30 20 DBED C#CCCN1CCOC[C@H]1CNC(=O)c1cc(OC)ncn1 1050922143 ZJILZRQSEWDAJX-GFCCVEGCSA-N 304.350 -0.061 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)c1ccn2nnnc2c1 1051062584 XDLUPZKLEXCPRN-GFCCVEGCSA-N 300.322 -0.812 30 20 DBED C=CCN1CCOC[C@@H]1CNC(=O)c1ccc(C(N)=O)nc1 1051267499 BAFVOIBWCHMTSK-LBPRGKRZSA-N 304.350 -0.203 30 20 DBED C#CCN1CCN([C@@H]2CCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C2)CC1 1052065198 LHBGCYLOXCNHAB-WCVJEAGWSA-N 303.406 -0.270 30 20 DBED C#CCN1CC2(C1)CN(C(=O)[C@@]1(C)CCNC(=O)C1)CCO2 1053305597 CWMAHHNRCNRPBH-HNNXBMFYSA-N 305.378 -0.551 30 20 DBED COc1cc(C(=O)NC[C@@H]2CCC3(CN(CC#N)C3)O2)ncn1 1053599137 NEDQAVBKIAUDIW-NSHDSACASA-N 317.349 -0.028 30 20 DBED CC#CCN1CC2(CC[C@H](CNC(=O)[C@@H]3CCCNC3=O)O2)C1 1053614196 SYPVWKHLDUMVJB-ZIAGYGMSSA-N 319.405 -0.115 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)[C@@H]3CCc4nncn4C3)CO2)C1 1054016525 FBIQSEPDDPZOFR-OLZOCXBDSA-N 315.377 -0.567 30 20 DBED N#Cc1cnc(N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)Cn2cncn2)cn1 1055021750 YACSMUONVSFCBK-AGIUHOORSA-N 324.348 -0.134 30 20 DBED C=C[C@@](C)(O)CC(=O)N1C[C@H]2CN(C(=O)CNC(C)=O)C[C@H]2C1 1055132754 PGLJDGAGAXEPPX-DVOMOZLQSA-N 323.393 -0.634 30 20 DBED N#Cc1cnc(N2C[C@@H]3CCC[C@]3(NC(=O)C(N)=O)C2)cn1 1055573770 XLGWQHKPSYZUER-XPTSAGLGSA-N 300.322 -0.691 30 20 DBED CC#CCCCC(=O)NC1CCN(CCNC(=O)C(N)=O)CC1 1055630297 YWXDFQGNTQAYTI-UHFFFAOYSA-N 322.409 -0.638 30 20 DBED CCn1ncc(C(=O)N2CCN(c3ccnc(C#N)n3)CC2)n1 1055797239 LXJDGCIETCEHSZ-UHFFFAOYSA-N 312.337 -0.078 30 20 DBED C=CCCC(=O)N[C@@]1(CO)CCCN(C(=O)Cn2cnnn2)C1 1055821039 AIWOVDDICBLGTB-AWEZNQCLSA-N 322.369 -0.891 30 20 DBED N#Cc1cncc(N2CCN(C(=O)C[C@@H]3CCC(=O)N3)CC2)n1 1055848764 DHAFUXNVSHSUKK-NSHDSACASA-N 314.349 -0.334 30 20 DBED N#Cc1cncc(N2CCN(C(=O)[C@H]3CCCNC3=O)CC2)n1 1055928051 JGKGYPNSQGGSIF-LBPRGKRZSA-N 314.349 -0.477 30 20 DBED C=CCOCC(=O)N1CC[C@H]2[C@H]1CCCN2C(=O)CNC(N)=O 1056221174 PJMLTTPJRLMZHU-NEPJUHHUSA-N 324.381 -0.551 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC[C@@H]2[C@H]1CCCN2C(=O)C(N)=O 1056537412 JZNUYXFAEITWFQ-HFAKWTLXSA-N 309.366 -0.609 30 20 DBED Cn1nncc1C(=O)N1CCCN(c2ccnc(C#N)n2)CC1 1057137307 ZCLVLQJVPXHEJM-UHFFFAOYSA-N 312.337 -0.171 30 20 DBED C=CCO[C@H](C)C(=O)N(CCO)CCNC(=O)c1ccncn1 1057922054 WBCOCVNGZFYMSW-GFCCVEGCSA-N 322.365 -0.382 30 20 DBED C=CC(C)(C)C(=O)N(CCO)CCNC(=O)CN(C)C(C)=O 1058301023 ZFVNALOKUZCUKO-UHFFFAOYSA-N 313.398 -0.386 30 20 DBED N#Cc1ccc(N2CC[C@H](NC(=O)CN3CCCC3=O)C2)nn1 1058308166 KBWHHGPNDFITQC-LBPRGKRZSA-N 314.349 -0.334 30 20 DBED C[C@@H](C(=O)N1CC[C@H](N=c2cc[nH]c(C#N)n2)C1)S(C)(=O)=O 1059109701 RSFIFLQBLXSDCR-UWVGGRQHSA-N 323.378 -0.784 30 20 DBED C=CCOCC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H](C)COC 1061416969 SCPBNMIPUVWRRI-STQMWFEESA-N 314.382 -0.185 30 20 DBED CC(=O)N[C@H](C)C(=O)N1CCOC[C@H]1CNC(=O)C#CC(C)C 1061558012 IFWKKHLYMRWNJZ-TZMCWYRMSA-N 323.393 -0.486 30 20 DBED CC(C)C#CC(=O)N1CCOC[C@@H]1CNC(=O)[C@H](C)CC(N)=O 1061748831 CAFLZRNTIOZNIX-OLZOCXBDSA-N 323.393 -0.499 30 20 DBED C=CCOCC(=O)NCC1(NC(=O)Cn2cncn2)CCC1 1062703380 CMGBTGNLSZPHBI-UHFFFAOYSA-N 307.354 -0.364 30 20 DBED CN(C(=O)Cn1cnnn1)[C@H]1CCN(c2ccnc(C#N)n2)C1 1062884172 RHZUWVSNPQRJDB-JTQLQIEISA-N 313.325 -0.928 30 20 DBED Cn1nnc(C(=O)N2CCC[C@@H]2CN=c2cc[nH]c(C#N)n2)n1 1063544673 ZYCXVPPIIVPDDF-SECBINFHSA-N 313.325 -0.990 30 20 DBED C=C(C)CCC(=O)NC[C@H]1CN(C(=O)CNC(C)=O)CCO1 1064780323 AWTQBNHLGLIXFC-ZDUSSCGKSA-N 311.382 -0.178 30 20 DBED C=CCCC(=O)N1CCO[C@H](CNC(=O)CN(C)C(C)=O)C1 1064953484 JWGAWJMGTQODFO-CYBMUJFWSA-N 311.382 -0.226 30 20 DBED C=CCOCC(=O)N1CCO[C@H](CNC(=O)[C@@H](CC)OC)C1 1064977702 WYSLYMDZOPTPAD-CHWSQXEVSA-N 314.382 -0.042 30 20 DBED C#CCCCC(=O)N1CCO[C@@H](CNC(=O)CCNC(N)=O)C1 1065097712 XXSDEZDUABGLEX-LBPRGKRZSA-N 324.381 -0.808 30 20 DBED C[C@@H](CC(N)=O)C(=O)NC[C@@H]1CN(C(=O)C#CC2CC2)CCO1 1065136310 ADCHHOIGYAKJBO-WCQYABFASA-N 321.377 -0.745 30 20 DBED CNC(=O)C1(C(=O)NC[C@H]2CN(C(=O)[C@@H](C)C#N)CCO2)CC1 1065556643 JCKTYAYMSVNRTG-QWRGUYRKSA-N 322.365 -0.984 30 20 DBED CC[C@H](OC)C(=O)N1CCO[C@H](CN=c2cc[nH]c(C#N)n2)C1 1066602513 PLTSKDCDZQPXBY-NEPJUHHUSA-N 319.365 -0.166 30 20 DBED C[C@@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1Nc1cnc(C#N)cn1 1067042616 UCKPABYLDZCVQR-KOLCDFICSA-N 313.325 -0.706 30 20 DBED C#CCO[C@H](C)C(=O)N(C)CCCN(C)C(=O)[C@H]1C[C@H]1C(N)=O 1067430307 DALDMXKHDUJIGE-UPJWGTAASA-N 323.393 -0.547 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCCN(C)C(=O)CN1C(=O)CNC1=O 1068060214 HFGBIYWZRKCSAZ-JTQLQIEISA-N 323.353 -0.995 30 20 DBED C[C@H](C#N)C(=O)N(C)CCCN(C)C(=O)[C@@]1(C)CCNC1=O 1068060439 NVIRSPOLZRSXHZ-ABAIWWIYSA-N 308.382 -0.021 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CN(C(=O)CCN(C)C)CCO2)C1 1068453672 AFHKWFJWKVTCMK-LBPRGKRZSA-N 308.382 -0.462 30 20 DBED C=CCCC(=O)N1CC2(C[C@H](NC(=O)c3ncn(C)n3)CO2)C1 1068846985 BAOQQFFGDBDGII-NSHDSACASA-N 319.365 -0.119 30 20 DBED C[C@H]1[C@H](Nc2ccc(C#N)nn2)CCN1C(=O)c1nnn(C)n1 1068928419 LEFLGELKYQTCDQ-WCBMZHEXSA-N 313.325 -0.413 30 20 DBED C=C[C@@H](CC)CC(=O)N[C@H]1COC2(C1)CN(C(=O)CC(N)=O)C2 1068975732 MUQSPFGYZXPFAE-NWDGAFQWSA-N 323.393 -0.050 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1COC2(C1)CN(C(=O)c1ccon1)C2 1069004079 SVKODTJTNLEYPW-NXEZZACHSA-N 304.306 -0.066 30 20 DBED C#CCN1CCn2ncc(CNC(=O)[C@H]3CCN(C)C3)c2C1 1069882418 HKXUUEJAMRVXAU-ZDUSSCGKSA-N 301.394 -0.100 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2cn(CC)nn2)C1 1070065665 CNELQVBNIQKLFG-YPMHNXCESA-N 314.353 -0.822 30 20 DBED C#CCN[C@@H]1CN(C(=O)CCn2cccn2)C[C@@H]1n1ccnn1 1070145184 VGXJNQASBSCUJH-KGLIPLIRSA-N 313.365 -0.460 30 20 DBED Cn1nccc1CC(=O)N1C[C@H](n2ccnn2)[C@H](NCC#N)C1 1070184221 OSYZBELBFATQQC-OLZOCXBDSA-N 314.353 -0.881 30 20 DBED C#CCC1(C(=O)NCC2(NC(=O)C(N)=O)CCOCC2)CCC1 1070228814 OYTBYQVQZMJHLV-UHFFFAOYSA-N 321.377 -0.553 30 20 DBED CC(=O)N[C@@H](C)C(=O)NCC1(NC(=O)[C@H](C)C#N)CCOCC1 1070230706 BVJUEYNBBTWQJZ-MNOVXSKESA-N 324.381 -0.548 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC[C@@H](NC(=O)CNC(=O)CC)C1 1070726672 FSGUMDNYCMUBOH-CHWSQXEVSA-N 323.393 -0.342 30 20 DBED CC#CCN1CCNC(=O)CCN(C(=O)c2ncc[nH]2)CC1 1070961047 KASJKDYCFALZEK-UHFFFAOYSA-N 303.366 -0.303 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)C[C@H]2CCNC2=O)CC1 1070969446 RCCQUZUGFDCIQY-CYBMUJFWSA-N 322.409 -0.651 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)c2[nH]nnc2C)CC1 1070984160 WLWROWISHWVHGC-UHFFFAOYSA-N 306.370 -0.437 30 20 DBED CC#CCN1C[C@@H](NC(=O)CN2CC(=O)NC2=O)CC[C@H]1C 1071901795 XGCUKDLCKVXJML-NEPJUHHUSA-N 306.366 -0.469 30 20 DBED CNC(=O)C1(C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2C)CC1 1072049393 SSUMHBQCUJIADZ-WCQYABFASA-N 317.389 -0.111 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@@H](NC(=O)C(N)=O)C(C)(C)C1 1073478899 BKMMHTHAEMTYMZ-WDEREUQCSA-N 309.366 -0.747 30 20 DBED Cn1cncc1CC(=O)N1CC[C@H]2OCCN(CC#N)[C@H]2C1 1074384948 PGOHWQCFQVKAMF-UONOGXRCSA-N 303.366 -0.212 30 20 DBED C=CCOCCCC(=O)N[C@@H]1CCN(C(=O)C(N)=O)[C@@H](C)C1 1074920291 XQXAQGFSZPLKMA-NWDGAFQWSA-N 311.382 -0.050 30 20 DBED C=CCCC(=O)NCC[C@H](C)NC(=O)CNS(=O)(=O)NC 1075886790 KKRLHPFAEMMEOE-JTQLQIEISA-N 320.415 -0.983 30 20 DBED C[C@@H](CCNC(=O)C#CC1CC1)NC(=O)C[C@H]1CCNC1=O 1076428840 MHTKVJFNMUAYPO-WCQYABFASA-N 305.378 -0.063 30 20 DBED C#CCOCCC(=O)N[C@@H](C)CCNC(=O)C[C@@H]1CCC(=O)N1 1077335969 JTDBJYGSWZKSFS-STQMWFEESA-N 323.393 -0.294 30 20 DBED C=CCOCC(=O)N[C@@H](C)CCNC(=O)[C@@H]1CN(C)C(=O)N1 1077735182 RLCJCUWQBSKFIC-QWRGUYRKSA-N 312.370 -0.776 30 20 DBED CCCC(=O)N1CCCC[C@H]1C(=O)N[C@@H]1CN(CC#N)C[C@H]1O 1078219528 DTEKORDEPRTPSL-HZSPNIEDSA-N 322.409 -0.148 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCC[C@H](N(C)C(=O)C(N)=O)CC1 1079054410 IPAFFTQWHGECMW-RYUDHWBXSA-N 311.382 -0.098 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CO)(NC(=O)[C@@H]2CCCN2C)CC1 1080778651 LYVBAUUKYNENEB-STQMWFEESA-N 322.409 -0.290 30 20 DBED C[C@@H](C#N)C(=O)NC1(CO)CCN(C(=O)[C@H]2CCCN2C)CC1 1080980635 ZGJBHMWGYUHAGL-QWHCGFSZSA-N 322.409 -0.290 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2ncoc2C)C[C@H]1O 1081343459 CIAOXMHZBHPNRB-VXGBXAGGSA-N 323.349 -0.265 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)CCOC)C[C@@H]1O 1081346616 KKLZAOVGCGWQKI-RYUDHWBXSA-N 300.355 -0.839 30 20 DBED C=CCN[C@@H]1CN(C(=O)[C@@H]2Cc3cncn3C(=O)N2)C[C@H]1C 1082658008 IFOGLMJUXLFUET-KGYLQXTDSA-N 303.366 -0.012 30 20 DBED C=CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cccn2nnnc12 1083093296 AGMJTMKHOMHWAX-QWHCGFSZSA-N 314.349 -0.165 30 20 DBED COc1c[nH]c(C(=O)N2CCO[C@@H]3CN(CC#N)C[C@@H]32)cc1=O 1083143605 QZKZJBCHADBSNX-SMDDNHRTSA-N 318.333 -0.568 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1c[nH]c(C(N)=O)c1 1083276216 RMRDRMAQGABYIH-UONOGXRCSA-N 316.361 -0.338 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CN(Cc3cnon3)C[C@@H]2O)c[nH]1 1083418630 SBZZZEUISFOIEA-NEPJUHHUSA-N 302.294 -0.756 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)c2csc(NC(C)=O)n2)C1 1083598910 SIMFDFCBSZJHRW-PWSUYJOCSA-N 322.390 -0.100 30 20 DBED Cc1nn(CC(=O)N[C@@H]2CN(CC#N)C[C@@H]2O)c(C)c1Cl 1084065762 LXODJILFQQCSPB-MNOVXSKESA-N 311.773 -0.162 30 20 DBED CC#CCN1CC[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)[C@@H]2C1 1084659656 SRDLABCEGUNOSL-YIYPIFLZSA-N 305.378 -0.425 30 20 DBED N#CCN1CC[C@@H]2CN(C(=O)[C@@H]3CCCCN3C(N)=O)[C@@H]2C1 1084767833 LDBJCXZYUNICAU-FRRDWIJNSA-N 305.382 -0.024 30 20 DBED C=CCN[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1c1cnn(C)c1 1086977608 DIQUIDLFFVNKDA-QWHCGFSZSA-N 315.381 -0.068 30 20 DBED CNC(=O)NCC(=O)N[C@H](C)C[C@H](C)Nc1cnc(C#N)cn1 1089501565 ZVGFTFCBFFXQIP-VHSXEESVSA-N 319.369 -0.028 30 20 DBED N#CCN1C[C@H](NC(=O)Cn2cnnn2)CC2(CCOCC2)C1 1089924427 PNLZJBWODZNQTK-GFCCVEGCSA-N 319.369 -0.816 30 20 DBED C#CCN1C[C@H](NC(=O)[C@H]2COC(=O)N2)CC2(CCOCC2)C1 1089939178 MSORLCZKWCOCDT-CHWSQXEVSA-N 321.377 -0.285 30 20 DBED C#CCN1CC[C@H](NC(=O)c2ccc3c(c2)nnn3C)[C@@H](O)C1 1090361692 QPCCBOGKSILPRV-WFASDCNBSA-N 313.361 -0.234 30 20 DBED CN(C)Cc1cc(C(=O)N[C@H]2CCN(CC#N)C[C@@H]2O)no1 1090378995 UUWIWJGIKPDGKQ-AAEUAGOBSA-N 307.354 -0.575 30 20 DBED C=CCCN1CC[C@H](NC(=O)c2nnc(O)nc2O)[C@H](O)C1 1090395538 DBMNSIPJASPFJS-DTWKUNHWSA-N 309.326 -0.976 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2c(O)nnc(C)c2C)[C@@H](O)C1 1090483861 UXODWCCGJYKHOY-NEPJUHHUSA-N 304.350 -0.403 30 20 DBED CN(C)c1ccnc(C(=O)N[C@H]2CCN(CC#N)C[C@H]2O)c1 1090838895 GRNVKHKVRAXGJY-GXTWGEPZSA-N 303.366 -0.164 30 20 DBED C=CCCC(=O)N[C@@H]1CN(c2ncnc3c2ncn3C)C[C@@H]1O 1091075076 RXXKBCSASIXJBD-MNOVXSKESA-N 316.365 -0.005 30 20 DBED C#CCNC1CC(CNC(=O)c2cn([C@H]3CCOC3)nn2)C1 1091315706 KUHCGZONFYUSHD-BPCQOVAHSA-N 303.366 -0.029 30 20 DBED CC(=O)N(C)CC(=O)NC1[C@H]2CN(c3ccc(C#N)nc3)C[C@H]12 1093218229 RWRLEZOSSVPCIZ-KBPBESRZSA-N 313.361 -0.018 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCN=c1cc[nH]c(C(=O)OC)n1 1093572656 WHJMCNJBIYQIHE-CQSZACIVSA-N 308.338 -0.460 30 20 DBED CN1C[C@@H](C(=O)NCCN=c2cc[nH]c(C#N)n2)CCC1=O 1093679875 FSPNJLFHIJZRBE-JTQLQIEISA-N 302.338 -0.833 30 20 DBED N#Cc1ccc(NCCNC(=O)[C@H]2CN3CCC[C@H]3CO2)nn1 1094203174 LULBQLMRYWXGBA-QWHCGFSZSA-N 316.365 -0.260 30 20 DBED CC#CCN1CC(n2cc(CNC(=O)[C@@]34COC[C@@H]3C4)nn2)C1 1094293136 ZNMSSFQNCOXJEP-LRDDRELGSA-N 315.377 -0.189 30 20 DBED N#Cc1nccnc1NCCCNC(=O)CNC(=O)C1CC1 1094318353 SFINLANFNCGDBQ-UHFFFAOYSA-N 302.338 -0.207 30 20 DBED CN1C(=O)CCC[C@H]1C(=O)NCCCN=c1cc[nH]c(C#N)n1 1094526530 LXXVDKGBKHYNBY-NSHDSACASA-N 316.365 -0.301 30 20 DBED C=CCCN1CC(N2C[C@H](NC(=O)C3=COCCO3)CC2=O)C1 1094699699 SUEWXGZCANXNHB-GFCCVEGCSA-N 321.377 -0.148 30 20 DBED CN(CCCNC(=O)[C@@H]1COCCN1C)c1cncc(C#N)n1 1095522324 MYLIZPJUMFLAPA-ZDUSSCGKSA-N 318.381 -0.379 30 20 DBED CN(CCCNC(=O)Cn1ncnn1)c1ccc(C#N)nc1 1095645298 LLTAFOAHIAVUHK-UHFFFAOYSA-N 300.326 -0.418 30 20 DBED N#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cc(=O)n2[nH]cnc2n1 1096339326 URRRXJJAKQILFN-YWVKMMECSA-N 313.321 -0.724 30 20 DBED CNC(=O)NCC(=O)NC[C@@H](Nc1cncc(C#N)n1)C1CC1 1096836823 LAFPKBQZYORDBC-LLVKDONJSA-N 317.353 -0.416 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1C[C@H](NC(=O)CNC(=O)C2CC2)C1 1096989408 AFWCIEOCMISUPD-JOCQHMNTSA-N 313.361 -0.040 30 20 DBED C[C@H](CNC(=O)[C@H]1CCNC(=O)C1)Nc1cncc(C#N)n1 1097773305 ABIOXPRDGKLCNZ-ZJUUUORDSA-N 302.338 -0.209 30 20 DBED C#CCCN(CCO)C1CCN(C(=O)[C@@H](COC)OC)CC1 1098472889 HBAHQVBTUWEUPI-OAHLLOKOSA-N 312.410 -0.044 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H]1CCN(C(=O)CNC(N)=O)C1 1098500569 CZJKEZRJJGPXNE-SNVBAGLBSA-N 302.338 -0.696 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCC(N(CCO)CC(N)=O)CC1 1098578135 YKAUKUCLWNNXSD-LBPRGKRZSA-N 313.398 -0.652 30 20 DBED CC(=O)N(C)CC(=O)N1CC[C@@H](n2cc(CNCC#N)nn2)C1 1098618768 JWFBYPLPRHPHOY-CYBMUJFWSA-N 319.369 -0.857 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)N[C@H]1CCN(CC=C)C[C@H]1O 1100128674 ALOJHLNLWQSCKX-QWHCGFSZSA-N 324.425 -0.012 30 20 DBED CCN1CCOC[C@H]1C(=O)NCCN(C)c1nccnc1C#N 1100219864 QMCIVELINHTYPO-ZDUSSCGKSA-N 318.381 -0.379 30 20 DBED N#CCNC(=O)CNC1CC(CNC(=O)CC2OCCCO2)C1 1100277354 JXWUPECHGRBGDE-UHFFFAOYSA-N 324.381 -0.736 30 20 DBED CCN(CCNC(=O)[C@H]1CC(=O)N(C)C1)c1ccc(C#N)nn1 1100749213 QCQQKIKPFJVQRZ-NSHDSACASA-N 316.365 -0.231 30 20 DBED C=CCO[C@@H](C)C(=O)NCC1CC(NCC(=O)NCC#N)C1 1101057179 IPAGDNLFTFKGEF-HIFPTAJRSA-N 308.382 -0.298 30 20 DBED CCS(=O)(=O)N[C@H](C)C(=O)NC[C@@H]1CN(CC#N)C[C@H]1C 1101986813 MSENEFNNFBSTEC-IJLUTSLNSA-N 316.427 -0.478 30 20 DBED CC(=O)N[C@@H](C)C(=O)N(C)[C@H]1CCN(c2cnc(C#N)cn2)C1 1102668250 HDRKNHGUMZUIBO-GWCFXTLKSA-N 316.365 -0.090 30 20 DBED C[C@H](CC(N)=O)C(=O)N(C)[C@H]1CCN(c2ccnc(C#N)n2)C1 1102752487 IFPSVVMYZOOUON-MNOVXSKESA-N 316.365 -0.103 30 20 DBED C=CCN1C[C@@H](C)[C@H](CCNC(=O)Cn2c(O)nnc2O)C1 1103679162 HSDPOQRQEGADJH-GHMZBOCLSA-N 309.370 -0.051 30 20 DBED C=CCN1C[C@@H](C)[C@H](CCNC(=O)c2cn(CC(N)=O)nn2)C1 1103754455 DUMWJJGEGOASJU-VXGBXAGGSA-N 320.397 -0.363 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)[C@@H]1CCC(=O)N1 1104034395 FHPDFXJJGJATHG-UWVGGRQHSA-N 302.338 -0.787 30 20 DBED C[C@H](NC(N)=O)C(=O)N(C)[C@H](C)CNc1ccc(C#N)nn1 1104535329 QXTTYYSHFDZDKV-BDAKNGLRSA-N 305.342 -0.336 30 20 DBED C=C(C)CNCc1cn(C2CN(C(=O)CNC(=O)CC)C2)nn1 1105192059 KMVRLZFQQGQHNU-UHFFFAOYSA-N 320.397 -0.147 30 20 DBED CC(C)[C@@H](CNC(=O)CC(=O)N(C)C)N=c1cc[nH]c(C#N)n1 1105298311 DBFMTENPZSTHAM-LLVKDONJSA-N 318.381 -0.199 30 20 DBED C#CCCN[C@@H]1C[C@]2(C[C@H]1O)CN(C(=O)C(N)=O)[C@H]2C(C)C 1105651919 JZTIUXLVPYAZJP-FOCJUVANSA-N 307.394 -0.539 30 20 DBED C#CCCN1CC(OC2CCN(C(=O)CCNC(N)=O)CC2)C1 1105734040 WNEOXEHBJICOMG-UHFFFAOYSA-N 322.409 -0.240 30 20 DBED Cc1c[nH]nc1C(=O)NC[C@@H](O)CNc1ccc(C#N)nn1 1105825320 BOJLNVJEHFURIC-JTQLQIEISA-N 301.310 -0.417 30 20 DBED Cc1nc(NC[C@H](O)CNC(=O)Cn2cncn2)ccc1C#N 1105838814 DWTQQPHYBUZERY-LBPRGKRZSA-N 315.337 -0.558 30 20 DBED CN1CC[C@@H](C(=O)NC[C@H](O)CNc2ccc(C#N)nn2)C1 1105853081 GRBNFFCSPYOUDG-ZYHUDNBSSA-N 304.354 -0.811 30 20 DBED C[C@@H]1CN(C(=O)c2ncccn2)C[C@H]1CNCC(=O)NCC#N 1106788116 HHRVRTFFNRKRQZ-VXGBXAGGSA-N 316.365 -0.586 30 20 DBED CCN(CCNc1ccc(C#N)nn1)C(=O)[C@H]1CN(C)C(=O)N1 1106907092 VJASWMSPEJYKIN-LLVKDONJSA-N 317.353 -0.368 30 20 DBED CCC(=O)N[C@@H](C)C(=O)N(CC)CCN=c1cc[nH]c(C#N)n1 1106979816 CZQHCUTWZQFPEJ-NSHDSACASA-N 318.381 -0.055 30 20 DBED COC(=O)NCC(=O)NC/C=C/CN=c1cc[nH]cc1C#N 1107057583 GAFRQZCBSJNKDF-NSCUHMNNSA-N 303.322 -0.185 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](C)NC(=O)[C@@H]2COCCO2)n1 1107650188 UABIODSJWFTVOZ-PWSUYJOCSA-N 305.338 -0.011 30 20 DBED C[C@H](CNc1ccc(C#N)nn1)NC(=O)[C@H]1CCN(C)C1=O 1108071780 PQJDILRYVJTQBR-MWLCHTKSSA-N 302.338 -0.257 30 20 DBED Cn1ncc(CCC(=O)NC[C@@]2(C)CN(CC#N)CCO2)n1 1108219591 GLYMWPKEWYWMJW-AWEZNQCLSA-N 306.370 -0.522 30 20 DBED CC(C)C[C@@H](C(N)=O)C(=O)NC[C@]1(C)CN(CC#N)CCO1 1108446136 YJSOQVSFYZOVOF-SWLSCSKDSA-N 310.398 -0.135 30 20 DBED N#CCN1CC(N2C[C@@H](NC(=O)CCOCC3CC3)CC2=O)C1 1108546103 OKDFQMOOLBTZEP-ZDUSSCGKSA-N 320.393 -0.272 30 20 DBED COCC(=O)N[C@H](C)C(=O)N[C@@H](C)CNc1cncc(C#N)n1 1108746599 QTWKTMJXQRGINO-VHSXEESVSA-N 320.353 -0.584 30 20 DBED C[C@H](CN(C)c1cnc(C#N)cn1)NC(=O)[C@H]1CCC(=O)N1 1108864053 XFBIVSNGVMZHGX-MWLCHTKSSA-N 302.338 -0.432 30 20 DBED C[C@H](CN(C)c1nccnc1C#N)NC(=O)c1cnnn1C 1108921400 JZEXIBXQQMJQMN-SECBINFHSA-N 300.326 -0.269 30 20 DBED C#CCOCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2[C@H]1CCNC1=O 1109273502 FSDBVGWGEWQBGX-RFGFWPKPSA-N 305.378 -0.364 30 20 DBED N#Cc1cnc(NC2(CNC(=O)Cn3ncnn3)CC2)c(F)c1 1110237250 HJQWKQAQMCFWMA-UHFFFAOYSA-N 316.300 -0.160 30 20 DBED C=CCOCC(=O)NC[C@]1(O)CCN(c2nccc(OC)n2)C1 1111039820 QFMCZSMJUWJKOF-OAHLLOKOSA-N 322.365 -0.255 30 20 DBED CC(=O)N[C@@H](C)C(=O)N(CCO)CCNc1ncccc1C#N 1111414138 XKSBENLPTRADLG-NSHDSACASA-N 319.365 -0.289 30 20 DBED C=CCOCC(=O)N(CCO)CCN=c1cc[nH]cc1C#N 1111444989 FZKNKPUKODCVAP-UHFFFAOYSA-N 304.350 -0.189 30 20 DBED C#CCOCCC(=O)N(CCO)CCNc1cnc(C#N)cn1 1111511110 XJUHSNKCWDUQIN-UHFFFAOYSA-N 317.349 -0.379 30 20 DBED C[C@@H]1C[C@@H](C(=O)N(CCO)CCN=c2cc[nH]c(C#N)n2)CO1 1111522208 LTUIXYGLJPWDNH-VXGBXAGGSA-N 319.365 -0.572 30 20 DBED C#CCNC(=O)CC(=O)N1CCN(Cc2nc(CC)no2)CC1 1112778078 ZWNAJDNOKRDVQC-UHFFFAOYSA-N 319.365 -0.584 30 20 DBED CN(CC(C)(C)CNc1nccnc1C#N)C(=O)CNC(N)=O 1113397193 KJSRVABZYGADHQ-UHFFFAOYSA-N 319.369 -0.087 30 20 DBED C[C@H](CNC(=O)[C@@H]1CC(=O)N(C)C1)N(C)c1ccnc(C#N)n1 1113943993 SGWMLIFMDJDVHU-GHMZBOCLSA-N 316.365 -0.233 30 20 DBED C[C@H]1CCN(c2ccc(C#N)cn2)C[C@H]1NC(=O)CNC(N)=O 1113997771 OALAESDSPDQBDO-CMPLNLGQSA-N 316.365 -0.047 30 20 DBED C=CCOCC(=O)N[C@H]1[C@@H]2CN(C[C@@H](O)Cn3cccn3)C[C@@H]21 1114033604 ADQZSPVGGZKMCJ-NYTXWWLZSA-N 320.393 -0.507 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)[C@H]3CC(=O)N(C)C3)[C@@H]2C1 1114358510 XIYACLKLYXKHLO-YNEHKIRRSA-N 305.378 -0.839 30 20 DBED CC(=O)NCC(=O)N[C@H]1C[C@H](CN=c2cc[nH]cc2C#N)C1 1114733609 NZYYUMSQASGLBL-AULYBMBSSA-N 301.350 -0.182 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3oncc3C)[C@H]2C1 1115063116 HXIONBQNCOYURZ-QWRGUYRKSA-N 302.334 -0.608 30 20 DBED C#CCN1C[C@@H]2C(NC(=O)CNS(=O)(=O)CCCC)[C@H]2C1 1115181015 URZLALSCCMKNDB-RYUDHWBXSA-N 313.423 -0.615 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)c3ccn(C)n3)[C@@H]2C1 1115243111 JAOLQQGIOMILCN-QJPTWQEYSA-N 315.377 -0.782 30 20 DBED Cc1ccc(C#N)c(N[C@H](CO)CNC(=O)[C@H]2COCCO2)n1 1121136813 QZPVLIYKXUCJPN-QWHCGFSZSA-N 320.349 -0.434 30 20 DBED CN1CCO[C@@H](C(=O)NC[C@H](CO)Nc2ccc(C#N)cn2)C1 1121248890 FDXQXIJRFQJUOE-CHWSQXEVSA-N 319.365 -0.827 30 20 DBED N#Cc1cccnc1N[C@H](CO)CNC(=O)[C@H]1CCNC(=O)C1 1121310699 LDRWKAJQIKBXDC-JQWIXIFHSA-N 317.349 -0.632 30 20 DBED Cc1nc(N[C@@H](CO)CNC(=O)[C@H](C)NC(N)=O)ccc1C#N 1121375381 BECGPOZHWYUFRI-GXSJLCMTSA-N 320.353 -0.793 30 20 DBED N#Cc1cnc(N[C@H](CO)CNC(=O)CN2CCCC2)cn1 1121580610 KWNHYLGXDHEFPM-LBPRGKRZSA-N 304.354 -0.667 30 20 DBED C#CCOCCC(=O)NC[C@@H](CO)Nc1ccc(C#N)nc1 1122029373 SMEJKXBFZWDDAI-AWEZNQCLSA-N 302.334 -0.118 30 20 DBED C[C@H](CC(=O)NC[C@H](CO)Nc1ccc(C#N)cn1)NC(N)=O 1122068375 CCSGOWHZVGFPBH-MWLCHTKSSA-N 320.353 -0.711 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)C(=O)C(C)(C)C 1124226031 WDENHFSRDBRDEJ-JTQLQIEISA-N 319.365 -0.383 30 20 DBED Cc1cc[nH]c1C(=O)N(C)C[C@H](O)CN=c1cc[nH]c(C#N)n1 1124266297 GOOIBFSUBCAVNT-LLVKDONJSA-N 314.349 -0.048 30 20 DBED CN(C)CCC(=O)N(C)C[C@@H](O)CN(C)c1ccc(C#N)nn1 1125255148 XWALWJHOKPGBTH-ZDUSSCGKSA-N 320.397 -0.445 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)[C@H](C)NC(=O)CC)C1=O 1127945913 CUQQTBZTURVGAL-RYUDHWBXSA-N 310.398 -0.606 30 20 DBED N#CCNCc1nnc2n1CC[C@@H](NC(=O)c1nc[nH]n1)CC2 1128053910 HOCPGGMTBMUURZ-VIFPVBQESA-N 315.341 -0.856 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)CCc1cc(OC)no1 1128367562 KUGQVHNCXUYXHN-LLVKDONJSA-N 322.365 -0.541 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@@H](F)CN(CC)CC 1128528405 MDNNBKUIIFQWKO-LBPRGKRZSA-N 302.394 -0.326 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)[C@@H]1CC(=O)N(C)C1 1128672918 JPYBVUJJXRERMX-CYBMUJFWSA-N 322.409 -0.629 30 20 DBED C=CCCCN[C@@H]1CN(C(=O)CNC(N)=O)C[C@@H]1n1ccnn1 1129556600 RXVDCVASGWPLOA-NEPJUHHUSA-N 321.385 -0.746 30 20 DBED C=CCOCCNCCNC(=O)c1ccc(=O)n(CCOC)n1 1131050906 VUBIXFJZGUKFAQ-UHFFFAOYSA-N 324.381 -0.588 30 20 DBED C[C@@H]1CC[C@H](NC(=O)c2ccon2)CN1CC(=O)NCC#N 1131843061 DPSXWDXDLRJCAN-MNOVXSKESA-N 305.338 -0.103 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)c1conc1C 1133236981 RFONFCZDJICOBP-SNVBAGLBSA-N 323.353 -0.297 30 20 DBED C[C@@H]1CCCC[C@H]1OCC(=O)NCCNCC(=O)NCC#N 1134631278 UCKDYIFCOLFWMA-CHWSQXEVSA-N 310.398 -0.073 30 20 DBED C=CCn1cc(C(=O)NCCNCC(=O)NCC2CCC2)nn1 1134980969 PURICBGJFBPVRT-UHFFFAOYSA-N 320.397 -0.300 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)CCCC(=O)NCC 1148192892 ZLLGYDPOQGNWKW-LBPRGKRZSA-N 312.414 -0.311 30 20 DBED C#Cc1ccccc1CC(=O)NCCNCC(=O)NC(N)=O 1149117460 JDWJYJKKJWMYFC-UHFFFAOYSA-N 302.334 -0.889 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)Cn1cncn1 1150249843 GPFAKDITQHCGDW-UHFFFAOYSA-N 306.370 -0.816 30 20 DBED CC(C)(C(N)=O)C(=O)NCCC1(CNCC(=O)NCC#N)CC1 1165623013 QXWDJQNDKPPNQN-UHFFFAOYSA-N 323.397 -0.986 30 20 DBED C=C(C)CNCCCNC(=O)c1c[nH]nc1S(N)(=O)=O 1166333248 JTKAGOXLLLSLRT-UHFFFAOYSA-N 301.372 -0.657 30 20 DBED C=CCOCCNCCCNC(=O)c1cnn2c(=O)cc[nH]c12 1167783584 JLJMNTWMQIRKAR-UHFFFAOYSA-N 319.365 -0.065 30 20 DBED C#CCNC(=O)CNCCCC[C@@H](C)NC(=O)c1nc[nH]n1 1175762314 VUHUCMAYTWKLSK-LLVKDONJSA-N 306.370 -0.568 30 20 DBED C#CCN1CCC(C(=O)NCCCNCc2nncn2C)CC1 1176926912 YPMABCNHFQQBMD-UHFFFAOYSA-N 318.425 -0.244 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)CN(C)C(=O)C3CC3)C[C@H]21 1177029852 KJWQGBKYBRMCOH-CABCVRRESA-N 319.405 -0.210 30 20 DBED CN(C)C(=O)C1(C(=O)N2CC[C@@H]3OCCN(CC#N)[C@@H]3C2)CC1 1177133232 ZAOLYYPMEYONPE-OLZOCXBDSA-N 320.393 -0.320 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2ccnn2CCC)C1 1182887717 JFOSJHZNEKXDRU-CYBMUJFWSA-N 317.393 -0.153 30 20 DBED N#CCNC[C@@H]1CN(C(=O)[C@H]2CCNC2=O)CC12CCOCC2 1186445302 NOVKTDHXHBVCMJ-OLZOCXBDSA-N 320.393 -0.509 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)COCCOCC)C1 1188166141 TZVPWUBAQIJOPR-CYBMUJFWSA-N 313.398 -0.468 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CN(Cc2nnc3n2CCCC3)C[C@H]1O 1191853993 JIVQMBVCIXVAKD-IJLUTSLNSA-N 318.381 -0.565 30 20 DBED CN(CC#N)[C@H]1CCN(C(=O)CCNC(=O)c2cnccn2)C1 1194097692 FBDOQOKQSNUYLM-LBPRGKRZSA-N 316.365 -0.347 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCCN(CCN2CCNC2=O)CC1 1195805994 IZIWUMGFTLTTBS-AWEZNQCLSA-N 322.409 -0.416 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C(C)(C)C(F)F)C1 1196061257 IAHDLYBCCANJLL-NXEZZACHSA-N 319.352 -0.259 30 20 DBED C=C(Cl)CNC[C@@H]1CN(C(=O)Cn2cnnn2)CCCO1 1199788162 UJGVMMMNRMLFBD-LLVKDONJSA-N 314.777 -0.367 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC(N[C@@H](C)c2nnnn2C)CC1 1200532365 PLQOKZZBZGZPGM-NWDGAFQWSA-N 320.397 -0.110 30 20 DBED N#CCNC(=O)CNC1CCN(C(=O)CCn2ccnc2)CC1 1201893179 QIEQCLCYEFOGHI-UHFFFAOYSA-N 318.381 -0.506 30 20 DBED C=CCOCC(=O)N[C@H]1C[C@@H](NCc2nnn(C)n2)C12CCC2 1202634818 VMKXUPGYQHSFDH-NEPJUHHUSA-N 320.397 -0.070 30 20 DBED N#CCNC(=O)CN[C@H]1C[C@H](NC(=O)c2cnn[nH]2)C12CCC2 1203116406 ZSNRYVAFNHKNME-QWRGUYRKSA-N 317.353 -0.925 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2nnnn2C)C[C@H]1C 1206964009 UOIDCVPVLVOYNP-GRYCIOLGSA-N 306.370 -0.815 30 20 DBED C#CCCCC(=O)N1CCC[C@H](N[C@H](C)C(=O)NC(N)=O)C1 1207945307 ZNRWHSKFPCXPKI-NEPJUHHUSA-N 308.382 -0.046 30 20 DBED CNC(=O)NC(=O)CN[C@@H]1CCCN(C(=O)C#CC(C)C)C1 1207995862 RFEJIFDBFFYDQJ-GFCCVEGCSA-N 308.382 -0.318 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)[C@@H]2CCCO2)[C@H](OC)C1 1211797869 OZSFSPHOIVYYBR-FRRDWIJNSA-N 311.382 -0.717 30 20 DBED C=CCCN[C@@H]1CN(C(=O)[C@H](CCC(N)=O)NC(C)=O)C[C@H]1C 1215944635 LDVYPYZNMLJXFG-KWCYVHTRSA-N 324.425 -0.231 30 20 DBED COCC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H](C)CC(N)=O 1218448980 UNXCHPCIUBRPKG-HZSPNIEDSA-N 323.393 -0.941 30 20 DBED C=CCCC(=O)N[C@@H]1CN(CC(=O)NCC(F)(F)F)C[C@@H]1O 1219333198 SMHCBYPTGGSIRF-ZJUUUORDSA-N 323.315 -0.208 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(Cc2ccc(OC)nn2)C[C@@H]1O 1219532019 FWTKLWSGSVZFGT-KGLIPLIRSA-N 318.377 -0.050 30 20 DBED C[C@H](C#N)C(=O)NCC1CCN([C@H](C)C(=O)NC(N)=O)CC1 1222663586 BQKXHUPOJSBLND-NXEZZACHSA-N 309.370 -0.442 30 20 DBED CO[C@H](C(=O)NCC1CCN(CC(=O)NCC#N)CC1)C1CC1 1223043832 VMSRLSUFVSZECW-HNNXBMFYSA-N 322.409 -0.121 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)C2CC(OC)C2)CC1 1227915494 AZIJJFVARWMQTA-UHFFFAOYSA-N 307.394 -0.259 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)C[C@@H]1CCOC1 1231340471 BWIDLBNQSQIZLU-UONOGXRCSA-N 307.394 -0.305 30 20 DBED C=CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)CCCC(=O)NC 1233836784 IYJBJEOTRZJSQO-CYBMUJFWSA-N 324.425 -0.262 30 20 DBED C=CCNC(=O)CN1CC[C@H]1CN(C)C(=O)Cc1nnc(C)o1 1234088672 PJBJUCWBSHVXSQ-LBPRGKRZSA-N 321.381 -0.245 30 20 DBED C=CCOC[C@H](NC(=O)[C@@H](C)CN1CCOCC1)C(=O)O 1262177082 KAHKAGJUEDLAOM-RYUDHWBXSA-N 300.355 -0.273 30 20 DBED C[C@@H](CC#N)N(C)C(=O)C(=O)Nc1ccn(CC(=O)N(C)C)n1 1320589056 GIKTVBSTDNTXTO-JTQLQIEISA-N 320.353 -0.330 30 20 DBED CN(C(=O)C(=O)Nc1ccc(OCC#N)cc1)[C@H]1CCNC1=O 1320727952 GSZHVMJCICHGFP-LBPRGKRZSA-N 316.317 -0.126 30 20 DBED N#CCNC(=O)COC(=O)Cn1ncc2ccccc2c1=O 1322591108 VMWWPTVHDPNYEB-UHFFFAOYSA-N 300.274 -0.421 30 20 DBED C=CC[C@H](CC)NC(=O)C(=O)N(C)CCNS(C)(=O)=O 1323102660 WDXRIDBQFPSAFN-JTQLQIEISA-N 305.400 -0.535 30 20 DBED C#CCSCCNC(=O)C(=O)N1C[C@H](C)O[C@H](CO)C1 1323105927 ZOVUJSRQZTUNKA-QWRGUYRKSA-N 300.380 -0.923 30 20 DBED CC#CC[C@H](CO)NC(=O)C(=O)Nc1ccc(CC(N)=O)cc1 1326833600 BJCLQJNBNLUAHA-CYBMUJFWSA-N 317.345 -0.457 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N[C@@H](COC)[C@H]1CCCO1 1327299533 LCMGUQMKAAQIDF-UONOGXRCSA-N 306.362 -0.218 30 20 DBED COC(=O)N(C)CCNC(=O)C(=O)NCC#Cc1ccccc1 1330836218 HCIMAADFVSURCD-UHFFFAOYSA-N 317.345 -0.031 30 20 DBED C#CCN1CCC[C@H](NC(=O)NCc2nnc3n2CCOC3)C1 1331275387 BTWCYXFMCCBHRQ-LBPRGKRZSA-N 318.381 -0.295 30 20 DBED C[C@@H](C#N)OCCN1C(=O)N[C@@H](CC(=O)N2CCOCC2)C1=O 1333673736 ZHIOZEQBUDMDPF-QWRGUYRKSA-N 324.337 -0.916 30 20 DBED C#CCN(C(=O)C(=O)N1CCC2(CC1)COC(=O)N2)C(C)C 1335122735 MLFIMIAWDAXLOX-UHFFFAOYSA-N 307.350 -0.042 30 20 DBED CC1(C)CCN(CCNC(=O)C(=O)N2CC[C@](O)(CC#N)C2)C1 1338111140 CYUFOTHXRYUUTM-MRXNPFEDSA-N 322.409 -0.288 30 20 DBED C#CCN(C)C(=O)C(=O)Nc1ccc(C)c(S(N)(=O)=O)c1 1340072973 MHHDTLFDYACGJI-UHFFFAOYSA-N 309.347 -0.327 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N1CCc2nnc(O)cc2C1 1343066916 CEKVOFIKVNHCTK-JTQLQIEISA-N 306.322 -0.616 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCC(=O)NOCC 1346390317 YAWHFJMFFIHWPJ-PWSUYJOCSA-N 313.354 -0.732 30 20 DBED C#CCSCCNC(=O)C(=O)N1CCC[C@H]1C1OCCO1 1354623044 GYSMFMQSAIMVKQ-NSHDSACASA-N 312.391 -0.167 30 20 DBED C=CCN(C)c1nnc(-c2cn(C)c(=O)n(C)c2=O)n1CC 1356550774 XJPJRCPWCSRPCY-UHFFFAOYSA-N 304.354 -0.015 30 20 DBED CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)CC(C)(C)C#N 1361924302 SZXYVAVILALQMQ-SNVBAGLBSA-N 315.395 -0.312 30 20 DBED Cc1onc(CC(=O)NCc2nnc3n2CCOC3)c1C#N 1362782362 VNYHNGRJILWLIS-UHFFFAOYSA-N 302.294 -0.165 30 20 DBED COCCN(CCC#N)S(=O)(=O)NC1CCN(OC)CC1 1365422894 NIBSEUDCHHQABJ-UHFFFAOYSA-N 320.415 -0.291 30 20 DBED C=C(Cl)CNC[C@@H](O)CNC(=O)c1cn(C)nc1OC 1374632401 AESMUKHKWQZZMP-SECBINFHSA-N 302.762 -0.139 30 20 DBED CCN(CCC#N)C(=O)CN1CC[C@@](C)(NC(=O)COC)C1 1375802227 GYLLOICDOZNPCE-OAHLLOKOSA-N 310.398 -0.024 30 20 DBED Cc1nnc2n1C[C@H](C(=O)N1CC(NC(=O)[C@@H](C)C#N)C1)CC2 1389399755 CZGMNXXISWBHOK-GXSJLCMTSA-N 316.365 -0.364 30 20 DBED C[C@@H](C#N)C(=O)NC1CN([C@H](C)C(=O)Nc2ncccn2)C1 1391414358 CXGHAMNAFYZGMN-VHSXEESVSA-N 302.338 -0.236 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCN(C(=O)CCNC(N)=O)C2)C1 1396275297 LLCMSLXUNYQJCY-JTQLQIEISA-N 307.354 -0.735 30 20 DBED Cn1cc(C#N)c(NC(=O)C2CCN(S(C)(=O)=O)CC2)n1 1411301355 LURONVVZDLJZCK-UHFFFAOYSA-N 311.367 -0.098 30 20 DBED CN(CCS(N)(=O)=O)C(=O)Cc1ccc(OCC#N)cc1 1413518841 GTESMZYBWBCKLF-UHFFFAOYSA-N 311.363 -0.122 30 20 DBED CN(CCC#N)S(=O)(=O)NCCN1C[C@@H]2CC[C@H](C1)O2 1414270352 WUUYUWPBOMZFNF-TXEJJXNPSA-N 302.400 -0.471 30 20 DBED COc1cc(CNC[C@H](O)CNC(=O)c2cc(C#N)c[nH]2)on1 1422270204 FNNZZELOXCLQGX-JTQLQIEISA-N 319.321 -0.237 30 20 DBED Cc1cnc2nc(C(=O)N[C@@H](C)CNC(=O)[C@@H](C)C#N)nn2c1 1433559271 KNZAGYVKLQAWHE-UWVGGRQHSA-N 315.337 -0.173 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)c2cn(C)cn2)C1 1434334013 WDTCLWYMTRLRKI-IINYFYTJSA-N 305.338 -0.727 30 20 DBED Cc1nnc(CNCC2(O)CCN(C(=O)[C@H](C)C#N)CC2)o1 1440626388 HCOCLAGEZCIISG-SNVBAGLBSA-N 307.354 -0.019 30 20 DBED C[C@@H](C#N)C(=O)NC1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1450494591 KPDOUEMJKVCCNM-XRRVDJEJSA-N 307.350 -0.475 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](C1CC1)N(C)C(=O)c1cnn(C)n1 1450843567 BHJDVLLCLAFITD-BXKDBHETSA-N 304.354 -0.058 30 20 DBED C[C@H](CCNC(=O)CCNS(C)(=O)=O)NC(=O)[C@H](C)C#N 1455041333 PKSOPIFOAIHUMA-NXEZZACHSA-N 318.399 -0.904 30 20 DBED C=C(Cl)CNC[C@H](O)CNC(=O)Cn1cc(C2CC2)nn1 1482737917 WCDBGOVXAIBZCY-NSHDSACASA-N 313.789 -0.025 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)C[C@@H]2CCCC(=O)N2)CC1 1535883588 BJSWARMPDWTPAD-MNOVXSKESA-N 306.366 -0.030 30 20 DBED COC(=O)[C@@H]1CN(C(=O)c2cnccc2C#N)C[C@@H]1C(=O)O 1571080699 ZYTXWUIQUGCLIS-WDEREUQCSA-N 303.274 -0.101 30 20 DBED COc1cc(C#N)ccc1S(=O)(=O)N[C@](C)(CO)C(=O)O 1571120265 RJTNQCDHBDVLJY-GFCCVEGCSA-N 314.319 -0.319 30 20 DBED C[C@@H](CN(C)C(=O)[C@@H](C)C#N)N=c1cc[nH]c(-c2nn[nH]n2)n1 1574693405 HBTXWXGKTCBPPX-IUCAKERBSA-N 315.341 -0.503 30 20 DBED C#CC[C@@H](NC(=O)CCN/C(O)=C1\N=CC=CC1=O)C(=O)O 1588405547 RHGSFNJIGVOKBO-TWLKNAOBSA-N 305.290 -0.504 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)N[C@]2(C(=O)O)CCOC2)cc1 1594617674 HRHAUWKSOMJAAC-OAHLLOKOSA-N 317.301 -0.352 30 20 DBED CO[C@]1(C(=O)O)CCN(C(=O)C(=O)N2CC[C@@](C)(C#N)C2)C1 1599068391 XWJNMEJCQMEESF-UONOGXRCSA-N 309.322 -0.549 30 20 DBED C=CCOCC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3C(=O)O)C[C@@H]2C1 1602906741 MERMAQUGRHVSOJ-YVECIDJPSA-N 322.361 -0.174 30 20 DBED N#C[C@H]1CN(C(=O)N[C@@H]2CCCCN(CC(=O)O)C2=O)CCO1 1605582846 FYUAFNMDGPNUHR-WDEREUQCSA-N 324.337 -0.614 30 20 DBED N#CC1(CS(=O)(=O)N2CC[C@@](O)(C(=O)O)C2)CCCC1 1608175697 LZXOLICEJQLJDD-LBPRGKRZSA-N 302.352 -0.078 30 20 DBED C#C[C@H](NS(=O)(=O)c1cnn(CC(=O)O)c1)[C@@H]1CCCO1 1609058356 XPQJMXAKGGKGHW-QWRGUYRKSA-N 313.335 -0.573 30 20 DBED N#CCNC(=O)CNS(=O)(=O)c1ccc(F)cc1C(=O)O 1610622867 KTLRAGRWUFCTBY-UHFFFAOYSA-N 315.282 -0.558 30 20 DBED N#C[C@H]1CN(C(=O)c2cc(S(N)(=O)=O)ccc2O)CCO1 1647287794 OUFGGUJHOKQUSP-QMMMGPOBSA-N 311.319 -0.596 30 20 DBED N#CCCN1CCN(C(=O)c2cnn3c(=O)cc[nH]c23)CC1 1649954629 XKBGTPTWKCKADP-UHFFFAOYSA-N 300.322 -0.306 30 20 DBED C#CCN1CC[C@H](NC(=O)[C@@H](NS(C)(=O)=O)C(C)C)C1 1715001246 MRGKNAOFDOMXAI-RYUDHWBXSA-N 301.412 -0.616 30 20 DBED COCC#CCN[C@H](CNC(=O)c1cc(C(N)=O)c[nH]1)C1CC1 1752489890 HMVMGJZDWYDDON-CQSZACIVSA-N 318.377 -0.139 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1C[C@@H](NC(=O)COCC2CC2)C1 1752715198 FTNGWDRHHLPZTB-BNOWGMLFSA-N 307.394 -0.212 30 20 DBED C=CCn1cc(C(=O)N(C)CCNCC(=O)N(C)C(C)C)nn1 1753239319 PESOUGKGLBWLGP-UHFFFAOYSA-N 322.413 -0.008 30 20 DBED C#CCO[C@@H](C)C(=O)NC1CN(CC(=O)NCc2ccco2)C1 1753378333 ZSYZHAIISUFNIT-LBPRGKRZSA-N 319.361 -0.266 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H](C)CNCC(=O)NCC#N 1753713770 MIUZUCSDTXZNST-XQQFMLRXSA-N 308.382 -0.346 30 20 DBED C=C(C)CCNC[C@H](O)CNC(=O)c1nccnc1C(N)=O 1753935869 NHNPABVXYZRKKA-JTQLQIEISA-N 307.354 -0.778 30 20 DBED C=CCN1CC[C@H](NCC[C@@H](C)NC(=O)c2ncn(C)n2)C1=O 1753962635 VFRRWFGYARCXES-NEPJUHHUSA-N 320.397 -0.300 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@@H](C)NC(=O)c1cn(CC=C)nn1 1754243922 HQGRSUQEAITNFN-NEPJUHHUSA-N 318.381 -0.690 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@H](NC(=O)Cc1ncc[nH]1)C1CC1 1754454471 HFFSYQHIKCWAQI-AAEUAGOBSA-N 317.393 -0.426 30 20 DBED COCC#CCN1CC[C@@H]1CNC(=O)c1cncc(OC)n1 1754495027 CZIWNTHCAHBBBH-GFCCVEGCSA-N 304.350 -0.061 30 20 DBED C#CCN(C(=O)[C@@H](C)C#N)C1CCN(CC(=O)NC(N)=O)CC1 1754636578 ZUVWBBVAABXOBE-NSHDSACASA-N 319.365 -0.733 30 20 DBED CC#CCN1CC[C@](O)(CNC(=O)c2cncc(OC)n2)C1 1754760965 WKSLRFBPTBQFOT-HNNXBMFYSA-N 304.350 -0.325 30 20 DBED COCC1(C(=O)N2CC[C@H]([C@H](C)NCC(=O)NCC#N)C2)CC1 1754801353 OLGHMRVYOFTMCG-STQMWFEESA-N 322.409 -0.121 30 20 DBED C#CCNC(=O)CN[C@@H](C)[C@@H]1CCN(C(=O)c2[nH]cnc2C)C1 1754809581 VNWJJRWKNDZDGM-WCQYABFASA-N 317.393 -0.092 30 20 DBED N#CCNC1CCN(CCNC(=O)[C@H]2CC[C@H]2C(N)=O)CC1 1754849498 VAYLYWVDJXUBFB-OLZOCXBDSA-N 307.398 -0.808 30 20 DBED CN(C)CCC(=O)N1CC[C@@H](CCNCC(=O)NCC#N)C1 1754930172 FCQNXMBGKIVGCI-CYBMUJFWSA-N 309.414 -0.594 30 20 DBED C#CCNC(=O)[C@H](C)N(C)CCCN(C)C(=O)c1cc[nH]n1 1755032913 FLBHTLYLTVSQHR-LBPRGKRZSA-N 305.382 -0.059 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)CCCC(=O)NC)CO2)C1 1755059605 SOTWDPOVJZUKLZ-CYBMUJFWSA-N 307.394 -0.115 30 20 DBED C#CCNC(=O)CN1CC(CCO)(NC(=O)C(C)=C2CCC2)C1 1755331626 OLPWPZHWLIOQIT-UHFFFAOYSA-N 319.405 -0.211 30 20 DBED CC1(C)CN(CC(=O)NCC#N)C[C@@H]1NC(=O)C#CC1CC1 1755405893 AJJXBVCZGPINGI-ZDUSSCGKSA-N 302.378 -0.134 30 20 DBED CC#CCN(C)CCOCCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 1755544565 WJGBNDQGWBFKLJ-QWHCGFSZSA-N 311.382 -0.893 30 20 DBED Cc1cn(C)nc1C(=O)N[C@H](CO)CNC(=O)C#CC(C)C 1756518359 XLYFMHBMGWLYNY-LBPRGKRZSA-N 306.366 -0.405 30 20 DBED C=CCOCC(=O)N1CC[C@H](NC(=O)C2=COCCC2)[C@@H](O)C1 1757560978 BTGSCMVEUFMRIF-KBPBESRZSA-N 324.377 -0.039 30 20 DBED Cc1nn(C)cc1S(=O)(=O)NC(=O)[C@H](C)n1cnc(C#N)n1 1771706877 UKMKZVIFZDCLLW-QMMMGPOBSA-N 323.338 -0.742 30 20 DBED CC(C)(CCC#N)CNC(=O)Cn1cc(S(N)(=O)=O)cn1 1771713661 NVDMZAXIICSQHV-UHFFFAOYSA-N 313.383 -0.023 30 20 DBED CC(=O)NC[C@@H]1CN(Cc2cnc3c(C#N)cnn3c2)CCO1 1771751066 LJWIJKYSRGTBKB-CQSZACIVSA-N 314.349 -0.062 30 20 DBED CS(=O)(=O)Nc1ccc(C(=O)N2CC[C@@](O)(CC#N)C2)cn1 1771823079 ZDEYNVSUWJPMNN-ZDUSSCGKSA-N 324.362 -0.056 30 20 DBED CC(=O)NCCC(=O)N1CC[C@]2(CN(C(=O)CC#N)CCO2)C1 1783183285 VLIMLFKVSCPRMX-OAHLLOKOSA-N 322.365 -0.744 30 20 DBED N#CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1ccnn1 1796330376 MMTFIUGAZIZYNR-ZSBIGDGJSA-N 302.338 -0.170 30 20 DBED COCC(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1834969904 NSGCQKKSJKSUFU-AWEZNQCLSA-N 311.338 -0.997 30 20 DBED CC(C)(C#N)C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1841139112 ZEJRASREIMLZDU-UHFFFAOYSA-N 303.318 -0.172 30 20 DBED C#CCNC(=O)[C@@H](C)OC(=O)Cn1nnc2ccccc2c1=O 28253148 AHJMNOQACAGCRR-SNVBAGLBSA-N 314.301 -0.527 30 20 DBED CS(=O)(=O)NCCCNC(=O)C(=O)Nc1ccc(C#N)cc1 41854023 HVQLSNPQOVAVSP-UHFFFAOYSA-N 324.362 -0.448 30 20 DBED CCN(CC)CC#C[C@@H](C)OC(=O)c1cn(CC(N)=O)nn1 121567399 VGZOFYPUXUYING-LLVKDONJSA-N 307.354 -0.346 30 20 DBED COCCO[C@@H]1CCCN(c2c(C#N)c(=O)n(C)c(=O)n2C)C1 193552463 DGNKOMDZWDEKCZ-LLVKDONJSA-N 322.365 -0.413 30 20 DBED COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N1CCO[C@@H](C#N)C1 234560517 MBJKSSYSMXHSPZ-AXFHLTTASA-N 302.352 -0.118 30 20 DBED C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCO[C@@H](C(N)=O)C1 250568219 VNJDWKNSTNYMBB-NWDGAFQWSA-N 308.382 -0.096 30 20 DBED N/C(=N/CCNC(=O)C1CC1)N1CCN(c2ncccn2)CC1 262288107 MNWCUJNLBTXSFI-UHFFFAOYSA-N 317.397 -0.561 30 20 DBED COC[C@@H](C)/N=C(/O)NC(=O)CN1CCC[C@H]2C(=O)NC[C@H]21 330419645 XDTHBBUAVITHFN-GMTAPVOTSA-N 312.370 -0.738 30 20 DBED C[C@@H](CNS(=O)(=O)N(C)[C@H](C)CC#N)N1CCN(C)CC1 330424978 UWVCVHCQRRIINC-OLZOCXBDSA-N 317.459 -0.309 30 20 DBED C[C@H](N/C(O)=N/CC(=O)N1CCOCC1)C(=O)NC(C)(C)C 330680089 NGUFGHWGTBOCIW-JTQLQIEISA-N 314.386 -0.348 30 20 DBED CS(=O)(=O)N1CCN(CC(=O)NCC#N)Cc2ccccc21 331398297 GFKLWOUZRQABLB-UHFFFAOYSA-N 322.390 -0.092 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@@H]1C=C[C@@H](CO)C1 337071210 ORDPAVQOBIOCQY-VXGBXAGGSA-N 303.384 -0.380 30 20 DBED COC(=O)[C@H](NS(=O)(=O)Cc1cccc(C#N)c1)[C@H](C)O 344538299 NCMJIPQNNDUXQF-JOYOIKCWSA-N 312.347 -0.100 30 20 DBED COC(=O)CN(CC#N)C(=O)COc1ccc(C(N)=O)cc1 348799656 NQUQCSOKACZKCU-UHFFFAOYSA-N 305.290 -0.311 30 20 DBED COC(=O)CN1CCN(CC(=O)N[C@](C)(C#N)C(C)C)CC1 349030792 SUWMKMQHESKLGT-OAHLLOKOSA-N 310.398 -0.169 30 20 DBED Cc1noc(C)c1S(=O)(=O)N[C@H](C)C(=O)NCC#CCO 352182310 PCFLERBSASZWHF-SECBINFHSA-N 315.351 -0.930 30 20 DBED N#Cc1ccc(S(=O)(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)cc1 354079815 LQUOOXKMJHRLQN-LLVKDONJSA-N 320.330 -0.517 30 20 DBED CC(C)CN1CCO[C@H](CNC(=O)NCC(=O)NCC#N)C1 358316597 SGMKQCOEMRUBFF-GFCCVEGCSA-N 311.386 -0.718 30 20 DBED Cn1ccc(=O)n(CCCNC(=O)c2ccc(C#N)[nH]2)c1=O 425285997 YBKUKSLKELQZCV-UHFFFAOYSA-N 301.306 -0.433 30 20 DBED COC[C@@H](C)NC(=O)NC(=O)Cn1c(C)nc(C#N)c1C#N 442907622 YCNUJTZEOAXRNW-MRVPVSSYSA-N 304.310 -0.204 30 20 DBED CC[C@@H](C#N)NC(=O)[C@H](C)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 484428290 GFHXTFAZECKVHQ-WGWHJZDNSA-N 305.334 -0.044 30 20 DBED C#CCN1CCN(C(=O)COc2ccccc2C(N)=O)CC1 490761889 CGWBFVXWBSWJGX-UHFFFAOYSA-N 301.346 -0.058 30 20 DBED C#CCN(CC#N)C(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C 490962580 OZGXWMFWNVATMR-UHFFFAOYSA-N 313.317 -0.825 30 20 DBED C#CCN(CC#N)C(=O)c1cc(S(=O)(=O)NCCOC)c[nH]1 491014580 QVDYAJZJMPTWHL-UHFFFAOYSA-N 324.362 -0.462 30 20 DBED C#CCNC(=O)CCNC[C@]1(N2CCOCC2)CCSC1 491734051 OHWUKVLTBVROKH-OAHLLOKOSA-N 311.451 -0.077 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N2CC[C@H](N3CCCC3)C2)CCO1 548832529 STEFIPAGHZTUEB-QWHCGFSZSA-N 314.411 -0.374 30 20 DBED N#CCNC(=O)CNC(=O)Nc1cccc(S(N)(=O)=O)c1 586787320 JLIZVZHGZYWCOE-UHFFFAOYSA-N 311.323 -0.905 30 20 DBED Cc1ncc(S(=O)(=O)Nc2cc(C(N)=O)[nH]n2)cc1C#N 589976477 ZYGMJSOVPZSOMY-UHFFFAOYSA-N 306.307 -0.116 30 20 DBED C=CCn1cc(C(=O)N2CCN(C)C[C@H](C(=O)OC)C2)nn1 592806758 UTGZDODFEYYBIP-NSHDSACASA-N 307.354 -0.359 30 20 DBED CN(C)S(=O)(=O)NCCNC(=O)[C@@]1(C#N)CC12CCCC2 593897609 TYODTYLWFXYLFP-ZDUSSCGKSA-N 314.411 -0.027 30 20 DBED COC(=O)[C@@H]1CNCCCN1S(=O)(=O)c1ccc(C#N)o1 595112080 RSHVSVQLXUPIFY-JTQLQIEISA-N 313.335 -0.323 30 20 DBED COC(=O)COCCNC(=O)C(=O)Nc1ccc(F)cc1C#N 600046341 DRGKCLWCZIIUCS-UHFFFAOYSA-N 323.280 -0.058 30 20 DBED COC(=O)C[C@@H](O)CNC(=O)C(=O)Nc1ccc(F)c(C#N)c1 600058730 MMXILULSRHCYQJ-SNVBAGLBSA-N 323.280 -0.324 30 20 DBED C=C[C@H](O)C(=O)N1CCN(S(=O)(=O)CCCOC)CC1 612673828 MGDTWHQUVWYOHH-NSHDSACASA-N 306.384 -0.956 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)c2c[nH]c(C(N)=O)c2)CC1 619551052 TXGRTZJWZMXWCY-UHFFFAOYSA-N 319.365 -0.826 30 20 DBED N#C[C@@H]1CN(C(=O)COc2cccc(-c3nn[nH]n3)c2)CCO1 737680128 VSHTVYISGNMQPN-GFCCVEGCSA-N 314.305 -0.004 30 20 DBED C#CCNC(=O)CN1CC[S@](=O)C[C@H]1c1cnn(CC)c1 753810323 IWXLCWFKBMZPQF-ZSEKCTLFSA-N 308.407 -0.242 30 20 DBED C=CCCOC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 762911964 AMSKISOVJASEPU-UHFFFAOYSA-N 301.324 -0.489 30 20 DBED C=CCNC(=O)COC(=O)c1cc(S(N)(=O)=O)ccc1O 769787617 BNQLDUBLXUUZIT-UHFFFAOYSA-N 314.319 -0.501 30 20 DBED C#C[C@H](NCC(=O)N1CCN(C(=O)C2CC2)CC1)[C@@H]1CCCO1 775802076 XWZKJEKCRDZEBH-GJZGRUSLSA-N 319.405 -0.162 30 20 DBED C#CCCCOC(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1 786197733 ONLAZHLWFJMQDC-UHFFFAOYSA-N 314.319 -0.387 30 20 DBED C#CCC[C@@H](O)CNc1cc(N2CCN(C)C(=O)C2)ncn1 798421932 XQEAULGZRBLVLP-GFCCVEGCSA-N 303.366 -0.059 30 20 DBED C#CC[C@H](CO)NC(=O)[C@H]1CC=CC[C@H]1C(=O)N1CCOCC1 816669935 HKXPATJNHOXLAZ-QLFBSQMISA-N 320.389 -0.072 30 20 DBED C#CCO[C@H](C)C(=O)NCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 826812582 NPXWXTSLSGZHBM-QMVSFRDZSA-N 316.357 -0.052 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)c2c(C)ccn2C)CC1 831568752 QUKOEFZHSZOYKO-UHFFFAOYSA-N 324.406 -0.441 30 20 DBED CS(=O)(=O)Nc1cccc(C(=O)N[C@@H]2CNC[C@H]2C#N)c1 834516779 LWZVGJVDWCKBLF-ZYHUDNBSSA-N 308.363 -0.101 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CC[C@@H](C)C[C@H]1CN)[C@H]1CCCO1 851686050 YSCLIXDRDOZCSJ-ZOBORPQBSA-N 307.394 -0.131 30 20 DBED C#Cc1cnc(N2CCCN(C(=O)CNC(C)=O)CC2)nc1 858765039 YWZHDMMATXBDQD-UHFFFAOYSA-N 301.350 -0.367 30 20 DBED C=CCOC[C@H](NS(=O)(=O)CCn1cccn1)C(=O)OC 867220565 NXDDELJKCPGFTG-NSHDSACASA-N 317.367 -0.453 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H]2CCN(C(=O)Cn3cncn3)C2)c1 937799081 WHLVHOQEQIBLSN-NSHDSACASA-N 313.321 -0.491 30 20 DBED Cn1cnc(C(=O)N[C@H]2CCN(C(=O)C#CC3CC3)C2)cc1=O 938176576 ZLZPWWWQYZKEHE-LBPRGKRZSA-N 314.345 -0.476 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCN(CC(=O)NC)C[C@@H]2C)nn1 943480510 DTMXOVIDOWAPOF-RYUDHWBXSA-N 320.397 -0.350 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2CC[C@H](NC(=O)C(N)=O)CC2)nc1 943746414 WTDQMGASNUDDIB-HAQNSBGRSA-N 314.345 -0.295 30 20 DBED O=C(Cn1nccn1)NC1CCN(C(=O)C#CC2CC2)CC1 946696517 RVOVSFYQXKPNST-UHFFFAOYSA-N 301.350 -0.201 30 20 DBED Cn1cc(C(=O)NC[C@H]2CCN2C(=O)C#CC2CC2)ncc1=O 951488549 XZOXVBKMJNKEAT-GFCCVEGCSA-N 314.345 -0.476 30 20 DBED CN(C(=O)c1cc(C#N)c[nH]1)C1CN(C(=O)C(C)(C)C(N)=O)C1 953997911 MTGSEYVRJAEVJR-UHFFFAOYSA-N 317.349 -0.319 30 20 DBED C=CC(C)(C)C(=O)N1CC(N(C)C(=O)c2nnc(O)nc2O)C1 954877271 QPWJMYWTUGEVAQ-UHFFFAOYSA-N 321.337 -0.222 30 20 DBED CNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)c3cc(C#N)c[nH]3)[C@H]2C1 958504783 IIKDYJCLPAENHP-LSJOCFKGSA-N 301.350 -0.319 30 20 DBED N#Cc1cc(C(=O)NC2[C@@H]3CN(CC(=O)N4CCC4)C[C@@H]23)c[nH]1 958587132 OHHLPJOPZCNYCV-CHWSQXEVSA-N 313.361 -0.221 30 20 DBED C=CCCN1C[C@H](CNC(=O)c2ccc(C(N)=O)nc2)[C@@H](O)C1 958749270 WDKUVYZYIMWTIO-JSGCOSHPSA-N 318.377 -0.221 30 20 DBED CC#CCN1C[C@H]2[C@H](NC(=O)c3cn(CCOC)nn3)[C@H]2C1 959848578 TTWJHQFODKRAEX-IMRBUKKESA-N 303.366 -0.392 30 20 DBED CC#CCN1C[C@@H]2C(NC(=O)c3cnn4c(=O)cc[nH]c34)[C@H]2C1 961985469 UUACOVOBGCOQGF-RYUDHWBXSA-N 311.345 -0.294 30 20 DBED C#Cc1ccc(C(=O)NC2[C@@H]3CN(Cc4nnn(C)n4)C[C@@H]23)nc1 962328709 DIEGIMAVQJPTKZ-VXGBXAGGSA-N 323.360 -0.553 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H](NC(=O)CN2CCOCC2)CC1 964847583 WCGQEXIAUNNYNV-UONOGXRCSA-N 322.409 -0.024 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H](N(C)C(=O)Cn2ncnn2)CC1 967562323 WYLSVDZGXACGBJ-RYUDHWBXSA-N 319.369 -0.328 30 20 DBED Cc1cc(C)n(CC(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)n1 968814118 KGBTXXCSNPCBIR-BIMULSAOSA-N 319.365 -0.652 30 20 DBED N#Cc1ccc(C(=O)N2[C@H]3CC[C@H]2CN(C(=O)C(N)=O)C3)[nH]1 968858897 NULKIFFDNMUYMH-UWVGGRQHSA-N 301.306 -0.813 30 20 DBED C=CCN1CC([C@@H](C)NC(=O)[C@@H]2CCN(C)S2(=O)=O)C1 970569285 OAJKBRPERXUPEO-PWSUYJOCSA-N 301.412 -0.357 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@]2(CN(Cc3ncnn3C)CCO2)C1 972296485 BSQHXOWERPCFKY-DOMZBBRYSA-N 318.381 -0.222 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)[C@]3(C)CCC(=O)N3)C2)C1 972538970 ANPSKODPHHHZDS-JKSUJKDBSA-N 305.378 -0.408 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)Cc3nc[nH]n3)C2)[nH]1 974044658 CLNBPILHDXTKFA-AOOOYVTPSA-N 313.321 -0.376 30 20 DBED CC1(C)CN(CC#N)C[C@H]1NC(=O)CN1CCC(=O)NC1=O 977446258 JBGSSUALSLBRJT-SNVBAGLBSA-N 307.354 -0.722 30 20 DBED CNC(=O)[C@H](C)N1C[C@@H]2C(CNC(=O)c3ccc(C#N)[nH]3)[C@H]2C1 978028411 DWYOSENCOWKPDF-ZWKOPEQDSA-N 315.377 -0.072 30 20 DBED C=CCN1C[C@H]2C[C@@H](NC(=O)CN3C(=O)CNC3=O)CC[C@H]2C1 980247626 RVSPSZULAOWVMZ-XQQFMLRXSA-N 320.393 -0.059 30 20 DBED C[C@H]1CN(C(=O)CN2CCCN(C(=O)[C@@H](C)C#N)CC2)CCO1 980850354 STROSIUNQDSCNS-KBPBESRZSA-N 322.409 -0.072 30 20 DBED COc1c(O)nc(O)nc1C(=O)N1CCCN(CC#N)CC1 989472007 CFTRAVMTWWBFHE-UHFFFAOYSA-N 307.310 -0.432 30 20 DBED C=CCN[C@@H]1C[C@@H](C)N(C(=O)CCn2cc[nH]c(=O)c2=O)C1 989561657 HMQGUMOUWOJIRY-VXGBXAGGSA-N 306.366 -0.308 30 20 DBED CC(=O)N1CCC(C(=O)NC2CN(C(=O)C#CC3CC3)C2)CC1 991347688 LESLQTZHEXQWNM-UHFFFAOYSA-N 317.389 -0.015 30 20 DBED CC1(C)CN(C(=O)[C@@H]2CCc3nnnn3CC2)C[C@@H]1NCC#N 996335007 SSSABUAUWAIVIK-NEPJUHHUSA-N 317.397 -0.024 30 20 DBED C#CCN1CC=C(CNC(=O)[C@@H]2Cc3cncn3C(=O)N2)CC1 1000993214 BJSGZWLPVWJODG-AWEZNQCLSA-N 313.361 -0.253 30 20 DBED COCC(=O)N1CCO[C@@]2(CCN(C(=O)C#CC3CC3)C2)C1 1007646389 BEPWWPOIUHBGBO-MRXNPFEDSA-N 306.362 -0.124 30 20 DBED CN1C(=O)CC[C@H]1C(=O)NC1[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]12 1013586745 NMOKZIXGNZRHEG-UPJWGTAASA-N 315.373 -0.406 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@]2(NC(=O)Cn3cnnn3)CCC[C@@H]12 1014166772 OCIFBAOJTLXSEQ-JTNHKYCSSA-N 317.353 -0.527 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)c2c[nH]c(=O)cn2)[C@@H]1C 1020536724 AVFFUVIEVAOZFI-GUBZILKMSA-N 303.322 -0.351 30 20 DBED Cc1cc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2O)ncn1 1023422819 NYONBIXUWLVGND-GGZOMVNGSA-N 303.322 -0.754 30 20 DBED Cc1ccc(CC(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2O)cn1 1023804459 PRLKOUXPPNMBIC-LERXQTSPSA-N 316.361 -0.220 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H]2C[C@H](NC(=O)C(N)=O)C23CCC3)c1 1025898335 HHKGABDRKQOHQV-QWRGUYRKSA-N 315.333 -0.471 30 20 DBED C#CCN(C)[C@H]1CCCN(C(=O)CCn2cc[nH]c(=O)c2=O)C1 1027618771 PRLRFGPAOUYXBR-ZDUSSCGKSA-N 318.377 -0.517 30 20 DBED N#CCN1CC[C@@H](CNC(=O)[C@@H]2CN3CC4CC3(CO2)C4)C1 1028698702 PXFGCUZHONJASE-REWIBIJMSA-N 304.394 -0.189 30 20 DBED C=C(C)CN1[C@H]2CC[C@H]1CN(C(=O)CN1CCNC(=O)C1)C2 1029420027 QCKNEKCGGYVWMS-KBPBESRZSA-N 306.410 -0.331 30 20 DBED CN(C(=O)[C@H]1CCc2nnc(O)n2C1)[C@@H]1CCN(CC#N)C1 1033202515 LSOUTNKLSNNJHJ-WDEREUQCSA-N 304.354 -0.398 30 20 DBED N#CCN1CC[C@@H]2CN(C(=O)CCN3C(=O)CCC3=O)CC[C@@H]21 1036766308 WWCIJOHDHJMVBO-OLZOCXBDSA-N 318.377 -0.028 30 20 DBED C#CCN1CC[C@H]2CN(C(=O)CN3C(=O)CN(C)C3=O)CC[C@H]21 1036888777 PBGXSZNABUXTFT-QWHCGFSZSA-N 318.377 -0.564 30 20 DBED C#CCN1CCC(C(=O)NC[C@H]2CCN2[C@@H](CC)C(N)=O)CC1 1039042223 NSGIEHZDFUZEJU-CABCVRRESA-N 320.437 -0.214 30 20 DBED CCCC(=O)NCC(=O)N1CC[C@@](O)(CNC(=O)[C@H](C)C#N)C1 1040764585 WZVNFEMONDDOIT-IAQYHMDHSA-N 324.381 -0.858 30 20 DBED Cc1nonc1C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1O 1041078508 CFCHHRYBJNBWRE-NXEZZACHSA-N 315.293 -0.981 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)c2cc(C)n(C)n2)C1 1041750889 SSSNBDBBEYHZML-UHFFFAOYSA-N 318.377 -0.165 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)c2cccc(C)n2)C1 1042036089 WXKAPWSMZKSNQU-UHFFFAOYSA-N 319.361 -0.104 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)c2[nH]cnc2C)C1 1042043970 XQCPJACTCOQCRN-UHFFFAOYSA-N 308.338 -0.776 30 20 DBED C=C(C)CCN1CC(N(C)C(=O)Cn2cnc(C(N)=O)n2)C1 1042750041 QLWFGZICCRBTAB-UHFFFAOYSA-N 306.370 -0.514 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(O)CN(C(=O)c2ncccn2)C1 1042806323 DXRSMMPFYRMWLI-AWEZNQCLSA-N 320.349 -0.893 30 20 DBED CCn1ncc(C(=O)NCC2(O)CN(C(=O)C#CC3CC3)C2)n1 1042903501 XDOZPQOVPSPCQP-UHFFFAOYSA-N 317.349 -0.986 30 20 DBED C#CCCN1CC(N(C)C(=O)c2coc(S(N)(=O)=O)c2)C1 1043127161 ZADCBEPYXAXGTD-UHFFFAOYSA-N 311.363 -0.294 30 20 DBED C[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)C[C@H]1Nc1nccnc1C#N 1043474698 PWTUHOKBHPWCAW-DVVUODLYSA-N 315.337 -0.712 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)C[C@H]3CCOC3)C2)nn1 1043886912 MQBPWTNGEDKUIB-RTXFEEFZSA-N 317.349 -0.559 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(O)(CNC(=O)c2ncccn2)C1 1045209414 XDBSKFBSIRGYGO-CQSZACIVSA-N 320.349 -0.893 30 20 DBED C=CCN1CC[C@H](N2CCN(C(=O)c3ncn(C)n3)CC2)C1 1046025827 LLKKDCOCBKDXAP-ZDUSSCGKSA-N 304.398 -0.167 30 20 DBED N#CCN1CC[C@@H](N2CCN(C(=O)CO[C@@H]3CCOC3)CC2)C1 1046026714 FBAQVHVLIADIRT-HUUCEWRRSA-N 322.409 -0.466 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)N(CC(N)=O)C3)c1 1047050623 LYLPRQQRMGJYJI-WCQGTBRESA-N 301.350 -0.046 30 20 DBED CN(C(=O)c1ccc2nc[nH]c2n1)[C@H]1CN(CC#N)C[C@@H]1O 1047423280 LHJNGLUNBKZKGH-RYUDHWBXSA-N 300.322 -0.401 30 20 DBED C=C(C)CCN1C[C@H](O)[C@@H](N(C)C(=O)CN2CCCNC2=O)C1 1047442684 IQYDDTHPJGWZTG-KBPBESRZSA-N 324.425 -0.129 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3nncn3CC2)C1 1047462521 GOSUKINDWMHJAU-RDBSUJKOSA-N 317.393 -0.633 30 20 DBED C=CCC1(C(=O)N(C)[C@H]2CN(C(=O)C(N)=O)C[C@@H]2O)CCCC1 1049065625 KXEOCNLBMGEURM-RYUDHWBXSA-N 323.393 -0.362 30 20 DBED C#CCOCCC(=O)N[C@H](C)[C@H]1CCN(C(=O)CNC(C)=O)C1 1049862602 LOLZHCYVACLPKS-OCCSQVGLSA-N 323.393 -0.484 30 20 DBED C=CCOCC(=O)N1CC[C@H]([C@@H](C)NC(=O)Cn2nccn2)C1 1050297621 NXNJQJCOGDRZMA-OLZOCXBDSA-N 321.381 -0.166 30 20 DBED C=CCOCC(=O)N[C@@H](C)[C@@H]1CCN(C(=O)CC(=O)NC)C1 1050537140 LULXEBMPOFKLOF-NWDGAFQWSA-N 311.382 -0.322 30 20 DBED N#CCN1CCOC[C@@H]1CNC(=O)c1ccc2nnnn2c1 1051025412 IYPGFYYUNPXQLL-NSHDSACASA-N 301.310 -0.922 30 20 DBED C#CCCN1CCOC[C@H]1CNC(=O)c1ccc(C(N)=O)[nH]1 1051117763 IZHLBTUMFJABTI-LLVKDONJSA-N 304.350 -0.433 30 20 DBED Cc1nc2nccc(C(=O)NC[C@@H]3COCCN3CC#N)n2n1 1051209334 IVLOJHQKZKASCT-LLVKDONJSA-N 315.337 -0.613 30 20 DBED C=CCN1CCC[C@H](NC(=O)c2cn(CC(N)=O)nn2)CC1 1052954817 TVEYJQIHSNDOHW-NSHDSACASA-N 306.370 -0.466 30 20 DBED C#CCN1CC2(C1)CN(C(=O)[C@H]1C[C@H]1C(=O)N(C)C)CCO2 1053430253 TWWSWAXWBXMJJU-OLZOCXBDSA-N 305.378 -0.743 30 20 DBED C=C(C)CN1CC2(C[C@H](NC(=O)Cn3cnnc3O)CO2)C1 1053780126 CBSIZIWGQPKULR-NSHDSACASA-N 307.354 -0.481 30 20 DBED CC(C)(C)n1nnc(C(=O)N[C@@H]2COC3(C2)CN(CC#N)C3)n1 1053807896 RTRSSESQEIVYJS-JTQLQIEISA-N 319.369 -0.475 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)C[C@@H]3CCNC3=O)CO2)C1 1053827696 GKIMRAJBNPAKDP-QWHCGFSZSA-N 305.378 -0.505 30 20 DBED Cc1nonc1C(=O)N[C@@]1(CO)CCCN(C(=O)[C@H](C)C#N)C1 1055998867 WIYVIKHQTKTVTG-OTYXRUKQSA-N 321.337 -0.379 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 1056618065 MSNCXCDCLSYHPB-PWSUYJOCSA-N 301.306 -0.504 30 20 DBED C#CCOCCC(=O)NCCN(CCO)C(=O)c1cc(C)on1 1056909083 BFCZMNAUDGXUPY-UHFFFAOYSA-N 323.349 -0.426 30 20 DBED CN(C)[C@H](C(=O)NCCN(CCO)C(=O)C#CC1CC1)C1CC1 1057536467 ZDKHBQRPFIVQEN-INIZCTEOSA-N 321.421 -0.323 30 20 DBED C=CCCOCC(=O)N(CCO)CCNC(=O)COCCC 1057918955 GUFHLVPHXZRUJW-UHFFFAOYSA-N 316.398 -0.057 30 20 DBED CN1CC[C@@H](C(=O)N[C@H]2CCN(c3ccnc(C#N)n3)C2)C1 1058373432 IHERBZAMLUXTIZ-NEPJUHHUSA-N 300.366 -0.005 30 20 DBED N#Cc1cncc(N2CC[C@@H](NC(=O)[C@H]3CCNC3=O)C2)n1 1058507489 GJBKZHANWQUHOQ-KOLCDFICSA-N 300.322 -0.821 30 20 DBED C[C@@]1(C(=O)N[C@H]2CCN(c3ccc(C#N)nn3)C2)CCNC1=O 1058541956 XHZHHEVTYXLNAE-XHDPSFHLSA-N 314.349 -0.431 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)CCCN(C)C 1058610579 MDYAFSQMDUKQHT-UHFFFAOYSA-N 311.426 -0.075 30 20 DBED CN1C[C@H](C(=O)N[C@H]2C[C@H](Nc3ccc(C#N)nn3)C2)CC1=O 1059445681 BEBVUZJVEFLTEL-YUSALJHKSA-N 314.349 -0.114 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@@H](CCNC(=O)CNC(N)=O)C1 1059646827 YCSKHPPZCLKORW-VXGBXAGGSA-N 324.381 -0.952 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](CCNC(=O)CC(=O)N(C)C)C1 1060294630 LLXQCIQEIPBFSW-NWDGAFQWSA-N 308.382 -0.021 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)CNC(=O)C1CC1 1061345516 IJTODCOFDBAEQQ-CMPLNLGQSA-N 322.365 -0.984 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)Cn1ccnc1 1061682533 MLLRVMXKKWPORJ-RYUDHWBXSA-N 305.338 -0.614 30 20 DBED N#Cc1nccc(N2CC[C@H](CNC(=O)[C@@H]3CCNC3=O)C2)n1 1061693953 BUDRVWQQBZYDFE-GHMZBOCLSA-N 314.349 -0.573 30 20 DBED CN(C(=O)c1nnn(C)n1)[C@@H]1CCN(c2cncc(C#N)n2)C1 1063013341 RFZCINLSROZPNY-SNVBAGLBSA-N 313.325 -0.777 30 20 DBED C=C[C@@](C)(O)CC(=O)NC1(CNC(=O)c2cnn[nH]2)CCC1 1063582820 ZVLPMAAPNMJNPX-CYBMUJFWSA-N 307.354 -0.100 30 20 DBED N#Cc1cnc(N2CCO[C@H](CNC(=O)c3ccon3)C2)cn1 1063615823 FBZZKFOFKSWRHS-LLVKDONJSA-N 314.305 -0.029 30 20 DBED C#CCCCCC(=O)NC[C@@H]1CN(C(=O)CC(=O)NC)CCO1 1065078046 MLGZEFDXJPYPJX-CYBMUJFWSA-N 323.393 -0.340 30 20 DBED C[C@@H]1[C@@H](Nc2nccnc2C#N)CCN1C(=O)c1nnn(C)n1 1068928716 QIICXQOCCGIFCZ-BDAKNGLRSA-N 313.325 -0.413 30 20 DBED C=C1CC(C)(C(=O)N2CCC(=O)NCCN(CC(N)=O)CC2)C1 1070998805 UJQJTPHJWMUPTE-UHFFFAOYSA-N 322.409 -0.522 30 20 DBED C#CCCCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)CNC(N)=O)C1 1071922399 SWOYSRKMFMQIMV-NEPJUHHUSA-N 308.382 -0.189 30 20 DBED C#CCCCCC(=O)N1C[C@H](C)[C@H](NC(=O)Cn2ncnn2)C1 1071929305 NXDOQFURQCCVGZ-QWHCGFSZSA-N 318.381 -0.170 30 20 DBED C[C@H]1CN(C(=O)CC(=O)N(C)C)C[C@H]1NC(=O)C#CC1CC1 1072130069 RREVAULMUIMJDU-WCQYABFASA-N 305.378 -0.159 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)CCn2cnnn2)C[C@@H]1C 1072599292 HZQLGSSVNGDQER-NWDGAFQWSA-N 322.369 -0.771 30 20 DBED C=CCN1CCC2(C1)CN(C(=O)CN1CC(=O)N(C)C1=O)C2 1073124619 VUBUQNSARWRMTL-UHFFFAOYSA-N 306.366 -0.399 30 20 DBED C#CCCN1CCC2(C1)CN(C(=O)c1nccnc1C(N)=O)C2 1073414948 PGHSHARFJQMTGO-UHFFFAOYSA-N 313.361 -0.253 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CCN(C(=O)Cn2ncnn2)CC1(C)C 1073485628 XPROFEIPLMMMOD-MNOVXSKESA-N 319.369 -0.424 30 20 DBED CC#CCN1CCCO[C@@H](CNC(=O)[C@@H]2CCCN2C(N)=O)C1 1073908328 IJLKAQLHJGSOAL-KBPBESRZSA-N 322.409 -0.240 30 20 DBED C=CCN1CCO[C@@H]2CCN(C(=O)c3cc(=O)n(C)cn3)C[C@@H]21 1074269784 YSKXPMNCOCIFLZ-UONOGXRCSA-N 318.377 -0.118 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(O)(CNC(=O)c2ccn(C)n2)CC1 1074707052 STMWIUKNPZPTKA-NSHDSACASA-N 319.365 -0.337 30 20 DBED C=C[C@](C)(O)CC(=O)NCC[C@H](C)NC(=O)[C@@H]1CCC(=O)N1 1076305029 LYBVRULRXHUWPQ-PGUXBMHVSA-N 311.382 -0.397 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC[C@H](C)NC(=O)CCn1cnnn1 1076305365 XXRKZMXTSYRXPW-SMDDNHRTSA-N 324.385 -0.599 30 20 DBED C[C@@H](CCNC(=O)c1cc(C(N)=O)cn1C)NC(=O)[C@@H](C)C#N 1077583387 TXYMOMCRMVHRNM-UWVGGRQHSA-N 319.365 -0.092 30 20 DBED C=CCOCC(=O)N(CC)C1CN(C(=O)CCn2cnnn2)C1 1079491562 MTISJQMXWWZJOM-UHFFFAOYSA-N 322.369 -0.675 30 20 DBED C#CCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)[C@H](C)CC(N)=O)C1 1079775268 VVKZSWHOMUIXJV-NEPJUHHUSA-N 323.393 -0.405 30 20 DBED C#CCNC(=O)CC(=O)N1CCC(CO)(NC(=O)C(C)C)CC1 1080726339 ZWRSGHGNVIUKJZ-UHFFFAOYSA-N 323.393 -0.748 30 20 DBED C=CCCC(=O)NC1(CO)CCN(C(=O)c2nc[nH]n2)CC1 1080768147 MERMDRPUWULFJT-UHFFFAOYSA-N 307.354 -0.146 30 20 DBED Cc1nc[nH]c1C(=O)NC1(CO)CCN(C(=O)[C@H](C)C#N)CC1 1080911095 FXEGECOAJZJEID-SNVBAGLBSA-N 319.365 -0.039 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2cn[nH]c2)C1 1081295111 MMSKZZBWHHBPPT-VXGBXAGGSA-N 308.338 -0.839 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)C#CC(C)C)C[C@H]1O 1081346672 LBYSWBBBYVZXKK-UONOGXRCSA-N 308.378 -0.216 30 20 DBED C=CCN1CC[C@@H](N2C[C@H](O)[C@H](NC(=O)C(C)(F)F)C2)C1=O 1083305932 LFSWUUHBKULRCV-MXWKQRLJSA-N 317.336 -0.410 30 20 DBED Cc1nnc(CN2C[C@H](O)[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)o1 1083392440 HXMPZEXONPOGNK-NEPJUHHUSA-N 316.321 -0.447 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 1083781535 LGYSYFKEDQTGEF-DVOMOZLQSA-N 311.401 -0.007 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCc3nnnn3CC2)C1 1083793117 CAJRIYNHVGCKFE-XQQFMLRXSA-N 320.397 -0.637 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)[C@H]2CCc3nnc(C)n3C2)C1 1084084538 ZFCJNWKOLRWVJC-MJBXVCDLSA-N 319.409 -0.114 30 20 DBED CC#CCN1CC[C@@H]2CN(C(=O)c3cn(C)c(=O)n3C)[C@@H]2C1 1084857292 USVZAUFROGVMFY-CHWSQXEVSA-N 302.378 -0.107 30 20 DBED C=CCCN1CC[C@@H]2CN(C(=O)CN3C(=O)CNC3=O)C[C@@H]2C1 1088194234 SWDGLLCYIKCAJQ-OLZOCXBDSA-N 320.393 -0.105 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CC[C@H](C)N(c2cnc(C#N)cn2)C1 1089105299 IKTYJKAKNOOFHY-CMPLNLGQSA-N 316.365 -0.042 30 20 DBED C=CCN1CC[C@H](NC(=O)c2cn(C)nc2COC)[C@@H](O)C1 1090372591 WDFREPNPWFLTAE-JSGCOSHPSA-N 308.382 -0.083 30 20 DBED COC[C@@H](C)C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1O 1090386905 CSPMRYYAMQLZQC-GMTAPVOTSA-N 305.338 -0.704 30 20 DBED N#Cc1cnccc1N1C[C@@H](O)[C@H](NC(=O)CC2(O)CCC2)C1 1090411383 VAPHWUNEAODQRL-TZMCWYRMSA-N 316.361 -0.076 30 20 DBED Cc1ccn2ncc(C(=O)N[C@@H]3CCN(CC#N)C[C@@H]3O)c2n1 1090734831 QWOLDNIRDGNDMJ-OLZOCXBDSA-N 314.349 -0.274 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cccnc2N(C)C)[C@H](O)C1 1090805518 NRWXSNDIGXGHKT-UONOGXRCSA-N 302.378 -0.054 30 20 DBED N#Cc1cnc(N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)CC(N)=O)cn1 1092809721 KKNCTHLVEMPJDP-VWYCJHECSA-N 300.322 -0.550 30 20 DBED C#CCCN1C[C@@H](C)[C@H](CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 1092963139 JKTIWUWAHJIFFI-YIYPIFLZSA-N 307.394 -0.273 30 20 DBED CC(C)(C(N)=O)C(=O)N[C@H]1[C@@H]2CN(c3ccnc(C#N)n3)C[C@@H]21 1093317470 ZPYFOYMRXIOCEB-GDGBQDQQSA-N 314.349 -0.589 30 20 DBED N#Cc1nccnc1NCCNC(=O)C[C@@H]1CCC(=O)NC1 1093924032 COPLHVSHMTWCAZ-JTQLQIEISA-N 302.338 -0.207 30 20 DBED Cc1nc(NCCNC(=O)CN2CCNC(=O)C2)ccc1C#N 1094056849 AQYWJBHARKGMLW-UHFFFAOYSA-N 316.365 -0.778 30 20 DBED CNC(=O)NCCC(=O)NCCCNc1nccnc1C#N 1094393352 SZCRSYKIBNJBIM-UHFFFAOYSA-N 305.342 -0.414 30 20 DBED CC#CCN1CC(N2C[C@@H](NC(=O)c3cccnn3)CC2=O)C1 1094804646 YKOATXSCEQUNFC-LBPRGKRZSA-N 313.361 -0.485 30 20 DBED C=CCCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN1CCNC(=O)C1 1095865831 UGEOXIPLFZLVRN-RDBSUJKOSA-N 306.410 -0.284 30 20 DBED CCN(CCCNC(=O)Cn1nccn1)c1ccnc(C#N)n1 1095924653 RUFVIANKQRYVBL-UHFFFAOYSA-N 314.353 -0.027 30 20 DBED N#Cc1cccnc1N1CC[C@@H](NC(=O)CCn2cnnn2)C1 1096416024 UUNYJCPSBMBQQL-GFCCVEGCSA-N 312.337 -0.275 30 20 DBED N#Cc1c[nH]ccc1=N[C@H](CNC(=O)CNC(N)=O)C1CC1 1096565633 NAXFCHQKELWKBH-GFCCVEGCSA-N 302.338 -0.650 30 20 DBED COC(=O)NCC(=O)N[C@H]1C[C@H](Nc2ccc(C#N)nn2)C1 1096990203 OLHZBZVOHQZQLP-MGCOHNPYSA-N 304.310 -0.237 30 20 DBED C[C@H](CNC(=O)[C@H]1CCC(=O)N1C)N=c1cc[nH]cc1C#N 1098230905 UVHPXIXOMRZQCJ-ZWNOBZJWSA-N 301.350 -0.087 30 20 DBED C#CCNCc1cn([C@H]2CCN(C(=O)[C@H]3CCCO3)C2)nn1 1098604332 MKCASPRTHKDTOO-UONOGXRCSA-N 303.366 -0.047 30 20 DBED N#Cc1nc(=N[C@@H]2CCC[C@@H](NC(=O)CC(N)=O)C2)cc[nH]1 1098612768 KXNAWIRMSNTMAL-NXEZZACHSA-N 302.338 -0.515 30 20 DBED C#CCCNCc1cn([C@H]2CCN(C(=O)c3cnon3)C2)nn1 1098751885 SLEAIZIOQMPHNG-LBPRGKRZSA-N 315.337 -0.139 30 20 DBED N#CCN1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2CC(=O)NC2=O)C1 1099188278 GPFPCYOMEGQUHD-PGUXBMHVSA-N 304.350 -0.467 30 20 DBED CC(C)CNC(=O)CN1CC[C@H](NC(=O)C#CC2CC2)[C@@H](O)C1 1099826489 LRVSJKUUPAXFSQ-GJZGRUSLSA-N 321.421 -0.277 30 20 DBED CCn1ccc(C(=O)N[C@H]2CCN(CC#CCOC)C[C@@H]2O)n1 1100022856 SAFWCGKRKRSCNN-ZFWWWQNUSA-N 320.393 -0.282 30 20 DBED C=CCN1CC[C@@H](NC(=O)C(C)(C)S(C)(=O)=O)[C@@H](O)C1 1100023246 ZLXQTMJEVTZLDJ-MNOVXSKESA-N 304.412 -0.453 30 20 DBED CN1CC[C@H](CC(=O)NCCN(C)c2ccnc(C#N)n2)C1=O 1100194601 BWCPQLQYQHGIHC-LLVKDONJSA-N 316.365 -0.231 30 20 DBED COCC(=O)N[C@@H](C)C(=O)NCCN(C)c1ccc(C#N)nn1 1100378513 NQXZGRLSLAQPCJ-JTQLQIEISA-N 320.353 -0.948 30 20 DBED C=C(C)CCNC1CC(CNC(=O)CNS(=O)(=O)NC)C1 1100538285 MUXXXNSPDRRCGS-UHFFFAOYSA-N 318.443 -0.509 30 20 DBED CNC(=O)NCC(=O)NC[C@H]1CCCN1c1nccnc1C#N 1100915077 JXMWCVDXJYHVQP-SNVBAGLBSA-N 317.353 -0.638 30 20 DBED C=CCN1CC[C@H](Oc2ccnc(CNC(=O)C(N)=O)c2)C1 1101096968 GOMCIQZSRVXBNN-ZDUSSCGKSA-N 304.350 -0.178 30 20 DBED CN(CCN=c1cc[nH]cc1C#N)C(=O)CNC(=O)C1CC1 1101505841 AAPOXAHEFDTHLR-UHFFFAOYSA-N 301.350 -0.228 30 20 DBED C#CCNC(=O)CC(=O)N(C)CCNc1cc(C)nc(CO)n1 1101551079 RLSWDFVBLZUVCN-UHFFFAOYSA-N 319.365 -0.713 30 20 DBED CN(C[C@@H]1CCN(C(=O)CNC(N)=O)C1)c1ccc(C#N)nn1 1102428173 TYBSWENXTNCMIH-JTQLQIEISA-N 317.353 -0.699 30 20 DBED Cc1nonc1C(=O)NC[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1102615150 OOTAEKYPDLWYRJ-MWLCHTKSSA-N 320.353 -0.685 30 20 DBED N#Cc1ccc(N2CCCC[C@@H](NC(=O)CNC(N)=O)C2)nn1 1102840338 LXHUCHXAPPLKNL-LLVKDONJSA-N 317.353 -0.508 30 20 DBED COCC#CCNCc1cn(C2CN(C(=O)[C@@H](C)C#N)C2)nn1 1105190478 YKZVEENTLUWVKM-LBPRGKRZSA-N 316.365 -0.440 30 20 DBED C=CCNCc1cn(C2CN(C(=O)c3cnnn3C)C2)nn1 1105225623 XYXHEDBPUTYEPT-UHFFFAOYSA-N 302.342 -0.621 30 20 DBED CN(CCN(C)c1nccnc1C#N)C(=O)c1cnn(C)c1N 1105374971 DDXDSRCOQCBWOD-UHFFFAOYSA-N 314.353 -0.128 30 20 DBED N#Cc1nc(=NC[C@@H](O)CNC(=O)CC(F)(F)F)cc[nH]1 1105729654 RAZKAABOAWCMGM-SSDOTTSWSA-N 303.244 -0.388 30 20 DBED C=CCOCC(=O)NC[C@@H](O)CNc1cc(OCC)ncn1 1105748745 ZFFYFJOFPIKMJC-NSHDSACASA-N 310.354 -0.033 30 20 DBED Cn1cc(C(=O)NC[C@H](O)CNc2ccc(C#N)cn2)nn1 1105815789 MXSSFIDZDRGUPH-SNVBAGLBSA-N 301.310 -0.715 30 20 DBED CCC(=O)N[C@H](C)C(=O)NC[C@@H](O)CNc1nccnc1C#N 1106141193 YLLKZMQUIIZGTE-ZJUUUORDSA-N 320.353 -0.848 30 20 DBED CN1CCCC[C@@H]1C(=O)NC[C@H](O)CNc1cnc(C#N)cn1 1106165220 HGHIQLXFMHPNIN-CHWSQXEVSA-N 318.381 -0.278 30 20 DBED C[C@@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)CO[C@H]1CCOC1 1106447982 YECDBLNMUNZRMN-RYUDHWBXSA-N 319.365 -0.118 30 20 DBED C[C@]1(CNC(=O)CCCCNC(N)=O)CN(CC#N)CCO1 1108057739 KEBHHEQUUGPUBZ-AWEZNQCLSA-N 311.386 -0.444 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)c2ccn(CCOC)n2)C1 1108064845 NMXLHZCDJBDZOZ-INIZCTEOSA-N 320.393 -0.017 30 20 DBED COCCOCCC(=O)N[C@@H](C)CN=c1cc[nH]c(C#N)n1 1108428079 OYEVPNJCPPEILQ-NSHDSACASA-N 307.354 -0.260 30 20 DBED CC(=O)N1CC(C(=O)N[C@H](C)CN(C)c2cncc(C#N)n2)C1 1108917545 HQWANRUMPNTFNC-SNVBAGLBSA-N 316.365 -0.233 30 20 DBED C[C@@H](CN(C)c1ccc(C#N)nn1)NC(=O)C[C@H]1CCC(=O)N1 1109007501 UBAYRLKZLWAUJN-WDEREUQCSA-N 316.365 -0.042 30 20 DBED C[C@@H](CN(C)c1ccc(C#N)nn1)NC(=O)[C@H]1CCNC1=O 1109206303 UQEZYYNFKANLNY-ONGXEEELSA-N 302.338 -0.575 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1nnn(C)n1 1109267887 SWQLEOUIDLRGEJ-NDBYEHHHSA-N 318.381 -0.530 30 20 DBED C#CCNC(=O)CC(=O)N(C)CCCN=c1cc[nH]c(C#N)n1 1109409246 SKIWQLAZUVTSQU-UHFFFAOYSA-N 314.349 -0.830 30 20 DBED N#Cc1nccnc1N1C[C@H]2C[C@H]1[C@H]2NC(=O)CCc1cnn[nH]1 1109742122 UIWAZZZOBONIIV-LQJRIPTKSA-N 324.348 -0.208 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@]1(C)CNC(=O)C1 1110840854 FLLZTHPZJJBAFV-WVZRYYJFSA-N 319.405 -0.116 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)C2=COCCO2)CC1 1112600619 HNQQVFLIVYIXSO-GFCCVEGCSA-N 309.366 -0.291 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(c2nccnc2F)C[C@H]1O 1112702641 ULIWJRPCTVJCEA-GHMZBOCLSA-N 310.329 -0.268 30 20 DBED COCC#CCN1CCN(C(=O)[C@H]2CCS(=O)(=O)C2)CC1 1113080818 SNAVZTLFHFGSBB-ZDUSSCGKSA-N 314.407 -0.785 30 20 DBED CC(=O)NC(C)(C)C(=O)N[C@@H](C)[C@@H](C)N=c1cc[nH]c(C#N)n1 1113091179 DWGWDFVAKDQDOH-ZJUUUORDSA-N 318.381 -0.010 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)C[C@H]2CCC(=O)N2)CC1 1113422434 PILAOXKWTDKRET-QWHCGFSZSA-N 322.409 -0.510 30 20 DBED Cc1ccc(C#N)c(N(C)[C@@H](C)CNC(=O)Cn2ncnn2)n1 1113723663 RPGVQYSEFIEQEG-NSHDSACASA-N 314.353 -0.111 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)CCc3cnn(C)n3)[C@H]2C1 1114841496 XJKZDHZUSZZTQE-FOLVSLTJSA-N 317.393 -0.556 30 20 DBED C[C@H](CCCNc1cncc(C#N)n1)NC(=O)Cn1ncnn1 1115011878 AWPDQEVUMJISLG-SNVBAGLBSA-N 315.341 -0.268 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)[C@H](C)CCOC)[C@@H]2C1 1115263011 HAPSQBDTDYNMRR-JHJVBQTASA-N 307.394 -0.545 30 20 DBED CC(=O)NCC(=O)NCC1(NCC(=O)NCC#N)CCCCC1 1115384842 KUIVOCYDZVRKDT-UHFFFAOYSA-N 323.397 -0.829 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCC[C@H](C(=O)NC)C1)[C@H]1CCCO1 1117581934 OVOMFNWAMGUWGI-RWMBFGLXSA-N 321.377 -0.732 30 20 DBED C=CCOCCNC(=O)C(=O)N1CCC(OCCCN)CC1 1118490117 DBMGNXAXFLNQHZ-UHFFFAOYSA-N 313.398 -0.338 30 20 DBED C#CCn1cc(CNC(=O)CCCN2C(=O)CNC2=O)cn1 1118758903 VYZJYVXMKLLBEE-UHFFFAOYSA-N 303.322 -0.536 30 20 DBED CCc1nc[nH]c1C(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1 1121874519 HGLHRJLKHYZMRY-VIFPVBQESA-N 315.337 -0.742 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)Cc2ncc[nH]2)nc1 1121977378 POKJZKWIWQOXDB-NSHDSACASA-N 300.322 -0.192 30 20 DBED Cc1cc(=N[C@H](CO)CNC(=O)c2cnn[nH]2)c(C#N)c[nH]1 1122880457 RXPKAVTTWRPWHC-JTQLQIEISA-N 301.310 -0.996 30 20 DBED CCC(=O)NCC(=O)N1C[C@H](N=c2cc[nH]c(C#N)n2)C[C@@H]1C 1123172664 YJKOAQNCONXNDX-WDEREUQCSA-N 316.365 -0.302 30 20 DBED C[C@H](C#N)C(=O)N(C)C[C@@H](O)CNc1ncnc2c1ncn2C 1124192633 YAUMVVNYGFVQHD-ZJUUUORDSA-N 317.353 -0.246 30 20 DBED C[C@@H](C#N)C(=O)N(C)C[C@H](O)CN(C)c1nccnc1C#N 1124987516 AXUIVBXHRWJNOC-WDEREUQCSA-N 302.338 -0.237 30 20 DBED C#CCNC(=O)CC(=O)NCCNCCc1scnc1C 1125994873 NOCAWOGJBNGIIB-UHFFFAOYSA-N 308.407 -0.161 30 20 DBED C[C@H](NC(=O)C(N)=O)C1CCN(c2cnc(C#N)cn2)CC1 1126767934 SHYRAKLGFIDZEF-VIFPVBQESA-N 302.338 -0.445 30 20 DBED CC(C)C#CC(=O)NCCNCC(=O)NC(=O)NCC(C)C 1126815441 CYBAJJDXOLDCQM-UHFFFAOYSA-N 310.398 -0.167 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C[C@H](C)O)C[C@@H]1n1ccnn1 1128812302 UVKICDNMROOEGY-XQQFMLRXSA-N 309.370 -0.797 30 20 DBED C=CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)CC(=O)NCC)C1 1128929161 DRPIDMKTOCYWJW-OLZOCXBDSA-N 320.397 -0.278 30 20 DBED C#CCNC(=O)CN1CC[C@@H](c2n[nH]cc2CNC(C)=O)C1 1130326919 ZUEDBMFELYWQRJ-GFCCVEGCSA-N 303.366 -0.416 30 20 DBED CC#CCN[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1c1cncn1C 1130951323 GVBBXTCFYBZONW-VXGBXAGGSA-N 303.366 -0.797 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)CNC(=O)CCC)C[C@@]3(C1)O2 1131201018 SALXNJUJMSGLHQ-JJRVBVJISA-N 319.405 -0.162 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)CNC(=O)OC)CC[C@H]1C 1131839356 PVJVCAWXZWTEHK-NEPJUHHUSA-N 324.381 -0.939 30 20 DBED C#CCN1C[C@@H](NC(=O)CCCS(N)(=O)=O)CC[C@@H]1C 1132253410 UAPUPUMPPANNQV-RYUDHWBXSA-N 301.412 -0.343 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)[C@H]1CC[C@@H]1C(N)=O 1132362849 NTVADJDXFKKGSR-STQMWFEESA-N 322.409 -0.596 30 20 DBED C#CCN1C[C@H](NC(=O)COCc2ncnn2C)CC[C@@H]1C 1132392894 RWLYMZQKAJFNOU-QWHCGFSZSA-N 305.382 -0.066 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)CN1CCC(C)(C)C1 1133896869 SOFLDVVWGBHPDE-ZDUSSCGKSA-N 308.426 -0.438 30 20 DBED C=CCOCC(=O)N[C@@H](C)C[C@@H](C)NCc1nc(=O)n(C)[nH]1 1133909847 RSIBRJYOHVFIOU-MNOVXSKESA-N 311.386 -0.316 30 20 DBED C[C@H](C[C@@H](C)NC(=O)c1nccnc1N)NCC(=O)NCC#N 1133953375 IFAPMUXDTSZGCD-NXEZZACHSA-N 319.369 -0.815 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)C[C@@H](C)NCc1nonc1C 1134130694 LJKGDMZEDTZVMU-GHMZBOCLSA-N 321.381 -0.110 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cnnc2ccccc12 1134348797 ZVSNWUKHLMQEIO-UHFFFAOYSA-N 311.345 -0.301 30 20 DBED CC#CCN[C@H](C)C[C@@H](C)NC(=O)CN1CCCS1(=O)=O 1134557514 PFYJQVONKYFZFT-CHWSQXEVSA-N 315.439 -0.082 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@H](C)OCCOC 1134672999 HRKHEJFCPGPIHT-NEPJUHHUSA-N 301.387 -0.566 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)NCCN[C@H]1CCN(C)C1=O 1134817126 NYUDQHFKTBSYPR-QWHCGFSZSA-N 310.398 -0.606 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)[C@@]1(C)CCOC1 1135781741 RDQJNYWXROOZPK-AWEZNQCLSA-N 312.370 -0.869 30 20 DBED C#CCO[C@H](C)C(=O)N1CC2(CCN([C@@H]3CCNC3=O)C2)C1 1147529824 BMICVPYPHYAFKW-CHWSQXEVSA-N 305.378 -0.553 30 20 DBED C=CCNC(=O)[C@H](C)N1CCC2(CN(C(=O)c3nc[nH]n3)C2)C1 1148462553 GBABNGCDNADWLF-NSHDSACASA-N 318.381 -0.357 30 20 DBED C=CCNC(=O)CN1CCC2(C1)CN(C(=O)c1cnon1)C2 1148469524 MAYSJLFGMZUBKW-UHFFFAOYSA-N 305.338 -0.480 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1ncccc1OC(C)C 1149477611 UBVSCLRHODYZSP-UHFFFAOYSA-N 318.377 -0.062 30 20 DBED N#Cc1cccc(CN2CCCO[C@@H](CNC(=O)C(N)=O)C2)c1 1150201729 ADBZYRVUIOEJAQ-AWEZNQCLSA-N 316.361 -0.249 30 20 DBED C[C@@H]1c2ccccc2O[C@H]1C(=O)NCCNCC(=O)NCC#N 1153642179 RVZBXXXOCANMBN-IAQYHMDHSA-N 316.361 -0.103 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)CNC(=O)CC)C1=O 1155812910 PMMZDDDWUBKNKE-LBPRGKRZSA-N 310.398 -0.605 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)C[C@@H]1CCC(=O)NC1 1159768708 BYGAJNGVIMBYSF-OLZOCXBDSA-N 322.409 -0.864 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@H](OC)[C@H]1CCOC1 1163359560 VQCIRVYCWIRTCF-GXTWGEPZSA-N 313.398 -0.564 30 20 DBED N#CCNC(=O)CN1CCO[C@@H]2CCN(C(=O)CC3CC3)C[C@H]21 1176883236 WQTAAINVTHEAIN-ZIAGYGMSSA-N 320.393 -0.272 30 20 DBED CC(C)(C)C#CC(=O)N1CC[C@@H]2OCCN(CC(N)=O)[C@H]2C1 1177004703 BCINAJGBVHNFDD-STQMWFEESA-N 307.394 -0.177 30 20 DBED O=C(C#CC1CC1)N1CC[C@@H]2OCCN(CCOCCO)[C@H]2C1 1177005689 JHHKKRCOFPVRKI-HOTGVXAUSA-N 322.405 -0.290 30 20 DBED C=CCOCCN1CCO[C@@H]2CCN(C(=O)c3nc[nH]n3)C[C@H]21 1177118552 KBFJOFQLBWTWGA-CHWSQXEVSA-N 321.381 -0.077 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@H](NCCn2cncn2)[C@@H]1C 1178675519 SVMJKOANJVKOJK-MJBXVCDLSA-N 305.382 -0.105 30 20 DBED C[C@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)c1cccnn1 1179775560 SVGAAIYXWLXOSI-QWRGUYRKSA-N 302.338 -0.691 30 20 DBED C=CCNC(=O)CNC[C@@H]1CCN(C(=O)CNC(C)=O)C[C@@H]1C 1183735761 PARCSEXSMXGTAL-JSGCOSHPSA-N 324.425 -0.501 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 1185668650 GQFIDKMHJFMRBC-ZIAGYGMSSA-N 308.426 -0.179 30 20 DBED N#CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3ccncc3)[C@@H]2C1 1186662652 KHSXNXQQRSESBN-UONOGXRCSA-N 313.361 -0.132 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3n[nH]cc3C)[C@@H]2C1 1187803537 DBKAXBKVAQQMBE-QWHCGFSZSA-N 315.377 -0.386 30 20 DBED COCC#CCN(C)[C@@H]1CCN(C(=O)c2ccc(O)nn2)C1 1188726991 MRIJRHNZNLWPNW-GFCCVEGCSA-N 304.350 -0.022 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)CO[C@H]2CCOC2)C1 1190122008 UXXUWMCJFMMVJK-KBPBESRZSA-N 323.393 -0.926 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)CC2CCC2)C1 1192021521 DRPKDIPLFBSHAB-IACUBPJLSA-N 307.394 -0.524 30 20 DBED C=C(C)CN(CC)C(=O)[C@@H](C)N(C)[C@@H]1CCN(C(=O)C(N)=O)C1 1192094327 RQRILFGEIXSXKY-CHWSQXEVSA-N 324.425 -0.183 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)Cn2ccc(C)n2)C1 1192406342 GFUWATPCFYMNOZ-CQSZACIVSA-N 317.393 -0.526 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CN(Cc2nc(C3CC3)n[nH]2)C[C@H]1O 1192821213 IRHHARKSDGOFKZ-CHWSQXEVSA-N 315.377 -0.243 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2ncccn2)C1 1192987880 OPMFQZODLOWCJU-GFCCVEGCSA-N 301.350 -0.628 30 20 DBED C=C(Cl)C(C)(C)C(=O)N[C@@H]1CN(C[C@H](O)COC)C[C@H]1O 1193313060 XZSQIUPSHMGJEP-QJPTWQEYSA-N 320.817 -0.066 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)CCc2c(C)nc(O)nc2O)C1 1195129001 UDFQGMSORBLOSF-VXGBXAGGSA-N 322.365 -0.524 30 20 DBED C#CCNC(=O)CC(=O)N1CCCN(Cc2nonc2C)CC1 1195535751 QIOFZUATEDJTMV-UHFFFAOYSA-N 319.365 -0.448 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)[C@@]2(F)CCOC2)C1 1195593885 CWAGFASFEZVRKZ-YRGRVCCFSA-N 302.346 -0.521 30 20 DBED C#CCO[C@H](C)C(=O)N1CCCN(Cc2nc(O)n[nH]2)CC1 1195791714 JQQMPLXZJPDGFZ-LLVKDONJSA-N 307.354 -0.417 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)c2c(C)ncn2C)CC1 1196215559 NORMHGOGDXNQBQ-UHFFFAOYSA-N 317.393 -0.374 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)[C@@H]2CCC(=O)N2)CC1 1197871230 PDDFNNMTVJDWDA-LBPRGKRZSA-N 308.382 -0.899 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)CSC)CCCO1 1199761040 FIYSHHQQOFUDOM-GFCCVEGCSA-N 313.423 -0.694 30 20 DBED C#CCNC[C@H]1CN(C(=O)CCCn2ccnn2)CCCO1 1200680839 VJZZBDWDJXZXNI-AWEZNQCLSA-N 305.382 -0.101 30 20 DBED C#CCNC[C@@H]1CN(C(=O)c2ccc(C(N)=O)o2)CCCO1 1200930926 PKWBZFVNGCACPT-LLVKDONJSA-N 305.334 -0.168 30 20 DBED N#CCNC[C@H]1CN(C(=O)c2ccc(C(N)=O)o2)CCCO1 1200931507 VTRZSOROMQJELB-JTQLQIEISA-N 306.322 -0.277 30 20 DBED C=CCn1cc(C(=O)N2CCCO[C@@H](CNCC#N)C2)nn1 1201584811 GZJXLENCDCZHEX-LBPRGKRZSA-N 304.354 -0.192 30 20 DBED C=CCNC(=O)[C@H](C)NCC1CCN(C(=O)CC(=O)NC)CC1 1205068506 OJQJXLYEWHJXDU-LBPRGKRZSA-N 324.425 -0.359 30 20 DBED COCC#CCNCC1CCN(C(=O)[C@H]2CCNC2=O)CC1 1205866547 MKCJNGCCCJOPLM-AWEZNQCLSA-N 307.394 -0.400 30 20 DBED CCCN(C)CC(=O)N1CCC(CNCC(=O)NCC#N)CC1 1206890217 HABIPXGAAMTPLE-UHFFFAOYSA-N 323.441 -0.204 30 20 DBED C[C@@](O)(CC(=O)N1CCC[C@@H](NCC(=O)NCC#N)C1)C1CC1 1207821580 YOUCFMPUHOTRKA-CZUORRHYSA-N 322.409 -0.242 30 20 DBED C=CCOCCN[C@H]1CCCN(C(=O)c2nnc(O)nc2O)C1 1208498214 NJEVVBJIVPNMIO-JTQLQIEISA-N 323.353 -0.320 30 20 DBED CCCN(C)CCC(=O)N1CCC[C@@H](NCC(=O)NCC#N)C1 1210773751 OARJICBYDJXKFR-CQSZACIVSA-N 323.441 -0.061 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)CN(CC)CC)C[C@H]1C 1216001986 NEZYXSZBZZZVLV-QLFBSQMISA-N 322.453 -0.097 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C2[C@H]3CCC[C@H]23)C1 1219417789 DQZGVWXKDNMHCQ-RVMXOQNASA-N 307.394 -0.504 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)C[C@](C)(O)C2CC2)C1 1219480241 OUUDMNZDSNJCIO-YCPHGPKFSA-N 310.394 -0.651 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2nccn2C)C[C@@H]1O 1219603335 XUGGGSWFQPWDPK-UPJWGTAASA-N 306.366 -0.880 30 20 DBED CCN(CCC#N)C(=O)CN1C[C@H](O)[C@H](NC(=O)C2(C)CC2)C1 1219667794 LVSNRHYNWKYANI-OLZOCXBDSA-N 322.409 -0.290 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)CNC(=O)c2ccoc2)C1 1219679294 RNCIYQKPZSQNLW-OLZOCXBDSA-N 305.334 -0.806 30 20 DBED CCc1c(C(=O)N[C@@H]2CN(CC#CCOC)C[C@@H]2O)cnn1C 1219937424 CKXVGIQVPHYSGR-HIFRSBDPSA-N 320.393 -0.593 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C2(CCC=C)CC2)C1 1220283343 XLQJWOSYEKNWBV-KGLIPLIRSA-N 319.405 -0.357 30 20 DBED C[C@@H](COCC(=O)N[C@@H]1CN(CC#N)C[C@@H]1O)N1CCCC1 1220377514 BEMGIHWJGKAQID-MJBXVCDLSA-N 310.398 -0.828 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)C2CCOCC2)CC1 1222200044 XVTJMPZRWRNGBZ-UHFFFAOYSA-N 321.421 -0.009 30 20 DBED C#CCCN[C@@H]1CCCC[C@H]1NC(=O)CN1CCNC(=O)C1 1227908238 RMDXIJCMJGAFCS-ZIAGYGMSSA-N 306.410 -0.542 30 20 DBED C=CCNC(=O)[C@H](C)N1CCC(NC(=O)Cn2cncn2)CC1 1230189954 FNJNPQVDCHTIEQ-LBPRGKRZSA-N 320.397 -0.451 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)CCn1cccn1 1230806181 GMUGPQJTNKWTBA-CQSZACIVSA-N 317.393 -0.445 30 20 DBED CN(C[C@@H]1CCN1CC(=O)NCC#N)C(=O)c1ccnn1C 1231070987 SKGDYHNIFHEWFN-NSHDSACASA-N 304.354 -0.794 30 20 DBED CN(C[C@@H]1CCN1CC(=O)NCC#N)C(=O)CC1CCOCC1 1231322956 WWAFXTAROLFFTR-AWEZNQCLSA-N 322.409 -0.024 30 20 DBED CN(C[C@H]1CCN1CC(=O)N1CCOCC1)C(=O)C#CC1CC1 1234179186 TVVDLVPGZKDSPD-OAHLLOKOSA-N 319.405 -0.209 30 20 DBED CC(=O)NC[C@H]1CN(Cn2nc(CC#N)n(C)c2=S)CCO1 1256376424 AVWCFSQSJWFXDX-NSHDSACASA-N 324.410 -0.188 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)C2CCN(C)CC2)C1 1266339540 SGBUSLNXCZSMHV-AWEZNQCLSA-N 306.410 -0.732 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H](NCC(=O)NCC)C2)nn1 1267020879 OLKNAAWSZXDQJU-NSHDSACASA-N 306.370 -0.596 30 20 DBED CCn1ncc(C(=O)NCC[C@H](C)NCC(=O)NCC#N)c1C 1317408520 LZOPFSDZZGSAKO-NSHDSACASA-N 320.397 -0.051 30 20 DBED C[C@H](OC(=O)CC[C@@H]1NC(=O)NC1=O)C(=O)NC1(C#N)CCC1 1321741581 PQVYVLXLWMYPST-IUCAKERBSA-N 322.321 -0.531 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NC[C@@H](COC)OC 1324425866 XJYYARXWOHGCMO-AGIUHOORSA-N 314.382 -0.139 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N[C@@H]1C[C@@H](OCC)[C@H]1OC 1324457871 VOTQRQOIBZIPGW-MCIONIFRSA-N 306.362 -0.220 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCC[C@](C)(CO)C1)[C@@H]1CCCO1 1325476849 WLVDPONNGZWSMQ-XEZPLFJOSA-N 308.378 -0.096 30 20 DBED C=CCOCCNC(=O)C(=O)N(C)CCNC(=O)N(C)C 1327426165 LSFMYAFXANUNNQ-UHFFFAOYSA-N 300.359 -0.965 30 20 DBED CC[C@@H](C)NC(=O)CCNC(=O)C(=O)N1CC[C@](O)(CC#N)C1 1328255199 MEBWJEOWKJJGFY-IAQYHMDHSA-N 324.381 -0.716 30 20 DBED CCc1cnc(NC(=O)C(=O)NCCn2cnc(C#N)n2)s1 1329181606 AQNRKGKYWBMBJS-UHFFFAOYSA-N 319.350 -0.076 30 20 DBED COCCN(C)CCCNC(=O)C(=O)N1CCC[C@H](C#N)C1 1332628547 RJYGBDRBABUEDL-CYBMUJFWSA-N 310.398 -0.167 30 20 DBED C=CCNC(=O)Cn1nnnc1N1CCC(CC)(CO)CC1 1335812399 CAQFLUZRZWMVID-UHFFFAOYSA-N 308.386 -0.036 30 20 DBED C#CCOCCn1nnnc1N1CCC(CC(=O)NC)CC1 1336015637 ADUUXYBCJMUOIH-UHFFFAOYSA-N 306.370 -0.325 30 20 DBED N#CCNC(=O)CNC(=O)NCc1nc(C(F)(F)F)n[nH]1 1342602458 UTZVKKAMZKREEZ-UHFFFAOYSA-N 305.220 -0.738 30 20 DBED C=CC1CCN(C(=O)C(=O)N2C[C@H](O)C[C@@H](C(=O)OC)C2)CC1 1345966977 WMLIZHYSHHMMOL-CHWSQXEVSA-N 324.377 -0.207 30 20 DBED C=C(C)CONC(=O)C(=O)Nc1cnn(CC(=O)N(C)C)c1 1346208227 OKDVTQWFSIHESW-UHFFFAOYSA-N 309.326 -0.466 30 20 DBED C[C@H]1OCC[C@]1(O)CNC(=O)C(=O)Nc1ccc(C#N)cn1 1347667893 IMBYXJDWOGHILI-OTYXRUKQSA-N 304.306 -0.452 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N1C[C@H](OC)[C@H](OC)C1 1352716771 DNTCJFAWHFEQAW-RWMBFGLXSA-N 312.366 -0.597 30 20 DBED CN(C)[C@@H]1CCCC[C@@H]1NC(=O)Cn1cc(C#N)c(O)nc1=O 1361766942 YUZFECVCWUBHHD-NWDGAFQWSA-N 319.365 -0.190 30 20 DBED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)Cn2ncnn2)C1 1362321826 ZRZOIPRJJXFLJM-ZJUUUORDSA-N 321.341 -0.452 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)C3(NC(N)=O)CC3)[C@@H]2C1 1371547810 DWKFIPXWGXLYNS-HBNTYKKESA-N 319.365 -0.594 30 20 DBED C[C@H](C#N)C(=O)NCCC1CCN(C(=O)CCNC(N)=O)CC1 1375411646 JSKYCKTVYLMSAZ-LLVKDONJSA-N 323.397 -0.051 30 20 DBED C=C(Cl)CN[C@H]1CCN(C(=O)CNS(=O)(=O)N(C)C)C1 1376917141 CSFAIDZUZGVGMA-JTQLQIEISA-N 324.834 -0.675 30 20 DBED C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)N(C)C(=O)Cn1cncn1 1382955708 REOPDJPNGDZYQI-JTQLQIEISA-N 315.337 -0.245 30 20 DBED COC(=O)NCC(=O)N1C[C@H]2CCN(C(=O)[C@@H](C)C#N)C[C@H]2C1 1384678969 MPPHFOPYXAQCIO-TUAOUCFPSA-N 322.365 -0.191 30 20 DBED CCN(CCNC(=O)[C@@H](C)S(C)(=O)=O)C(=O)[C@@H](C)C#N 1398105806 PYQZDMLUTFEPQO-VHSXEESVSA-N 303.384 -0.456 30 20 DBED CCCN(CCNC(=O)[C@@H](C)S(C)(=O)=O)C(=O)[C@H](C)C#N 1398254273 ZFURCRVSYNPLSY-GHMZBOCLSA-N 317.411 -0.066 30 20 DBED CC(C)Cn1cc(C(=O)NC[C@@H](O)CNC(=O)[C@H](C)C#N)cn1 1399872770 PNHHNPOBKJMNPD-YPMHNXCESA-N 321.381 -0.094 30 20 DBED C[C@@H](C#N)C(=O)N1CCCO[C@@H](CNC(=O)Cn2cccn2)C1 1406039484 ZCTCUNKEOOCISF-STQMWFEESA-N 319.365 -0.224 30 20 DBED COCCN(CCNC(=O)[C@@H](C)C#N)C(=O)[C@H]1CCNC(=O)C1 1426072931 RCELIGGVMMCLEF-RYUDHWBXSA-N 324.381 -0.737 30 20 DBED C[C@H](CNC(=O)c1cc(C#N)c[nH]1)CNC(=O)[C@@H]1COCCO1 1432937549 DKRNDMCYAFYZQW-MFKMUULPSA-N 320.349 -0.216 30 20 DBED Cc1ccncc1CC(=O)NC[C@@H](O)CNC(=O)[C@H](C)C#N 1433326033 YAYWUOGDOUNZMV-DGCLKSJQSA-N 304.350 -0.315 30 20 DBED C[C@H](O)CN(C(=O)CCn1cc(C#N)c(O)nc1=O)C1CC1 1434150203 UBQUTVXWNGVBLT-VIFPVBQESA-N 306.322 -0.418 30 20 DBED COc1nn(C)cc1C(=O)N(C)C[C@H](O)CNC(=O)[C@H](C)C#N 1444704334 JHAKCASMUVBOKE-NXEZZACHSA-N 323.353 -0.863 30 20 DBED C=C(Cl)CN[C@@H](C)[C@@H]1CN(C(=O)CS(C)(=O)=O)CCO1 1448470026 RMFYRGPDDGOWMP-QWRGUYRKSA-N 324.830 -0.011 30 20 DBED CCOc1ccc(C(=O)NC[C@H](O)CNC(=O)[C@H](C)C#N)cn1 1457995506 GLVOKSDOTNISCP-ZYHUDNBSSA-N 320.349 -0.153 30 20 DBED CN(CCc1ncon1)C(=O)CCn1cc(C#N)c(O)nc1=O 1472049283 PLLSKNWGTUNLNP-UHFFFAOYSA-N 318.293 -0.705 30 20 DBED Cn1cc(CNC(=O)NCCn2cc(C#N)c(O)nc2=O)cn1 1477601385 KDCNHBGSGSDUEW-UHFFFAOYSA-N 317.309 -0.947 30 20 DBED CO[C@H](C)C(=O)N(C)CCN1CCN(C(=O)[C@@H](C)C#N)CC1 1530101557 CDCNIHFADJPJTF-QWHCGFSZSA-N 310.398 -0.216 30 20 DBED C#CC(C)(C)NC(=O)CCn1cc(-c2nn[nH]n2)c(O)nc1=O 1573280751 ROIKTEDPJRVNFP-UHFFFAOYSA-N 317.309 -0.953 30 20 DBED C#C[C@H](NC(=O)C[C@@H]1CNCCS1(=O)=O)C1CCOCC1 1574505554 TYTJSFBGEUWMBF-OLZOCXBDSA-N 314.407 -0.692 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H](O)CNCc1cnn[nH]1 1575112573 VINZXYWHYLLDMM-XQQFMLRXSA-N 309.370 -0.695 30 20 DBED N#Cc1nc(N2CC(N[C@H]3CCOC3)C2)cnc1-c1nn[nH]n1 1581878451 MDPUICRMTHRREX-QMMMGPOBSA-N 313.325 -0.905 30 20 DBED Cn1ncc(C(=O)O)c1NC(=O)N1CCN(C(=O)CC#N)CC1 1601023316 RLTCIDWURYRMHD-UHFFFAOYSA-N 320.309 -0.292 30 20 DBED N#Cc1cc(F)c(S(=O)(=O)NC[C@H](O)CC(=O)O)c(F)c1 1601089021 DWNKVIWTZMNSDG-SSDOTTSWSA-N 320.273 -0.050 30 20 DBED O=C(O)CNC(=O)CNC(=O)C(=O)/C=C/c1ccc(F)cc1 1602065393 BDNXLXVTLSKZOE-ZZXKWVIFSA-N 308.265 -0.275 30 20 DBED C[C@@]1(C#N)CN(C(=O)C(=O)N2CCC[C@@H](C(=O)O)C2)CCO1 1603290900 YOTGUNHCSUNKSS-QMTHXVAHSA-N 309.322 -0.549 30 20 DBED N#CCNC(=O)CN1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@]1(F)CCOC1 1752543027 TWDHGBDVZGYHAP-TYNCELHUSA-N 324.356 -0.570 30 20 DBED N#CCNC(=O)CN(CCNC(=O)[C@@H]1C[C@]12CCOC2)C1CC1 1753161237 BNJIQXIJNUUTRG-BBRMVZONSA-N 320.393 -0.367 30 20 DBED CN(CCN1CCN(CC#N)CC1)C(=O)c1cn(C)c(O)n1 1753343429 PJAANUCSJYTKJG-UHFFFAOYSA-N 306.370 -0.661 30 20 DBED C=CCNC(=O)CN1CC[C@H](N(C)C(=O)[C@H]2CCCC(=O)N2)C1 1753439985 RXXZQMSKFZRSBN-QWHCGFSZSA-N 322.409 -0.510 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCC[C@H](CCNCC(N)=O)C1 1753548372 NTVOZINGXYMEME-CABCVRRESA-N 320.437 -0.212 30 20 DBED CC#CCNC[C@@H](C)CNC(=O)c1nc(C)n(-c2nc[nH]n2)n1 1753628021 XKXGCEDTDVEYIN-SNVBAGLBSA-N 316.369 -0.327 30 20 DBED COCC#CCNC[C@@H](C)N(C)C(=O)c1ccc(C(N)=O)[nH]1 1753713613 JSGLJAQSNDSZEC-LLVKDONJSA-N 306.366 -0.187 30 20 DBED COCC#CCN1CC[C@H]1CNC(=O)C[C@@H]1CCC(=O)NC1 1754485579 YBUHLDPIZCKLDS-KBPBESRZSA-N 307.394 -0.257 30 20 DBED C#CCCN1CCC(C)(NC(=O)[C@@H](C)NS(C)(=O)=O)CC1 1754628996 NKQLGBMQVCBXDC-GFCCVEGCSA-N 315.439 -0.082 30 20 DBED C#CCOCCC(=O)NC[C@]1(O)CCN(Cc2cnon2)C1 1754751722 SEUYHDSONXSIRV-CQSZACIVSA-N 308.338 -0.838 30 20 DBED C=CCOCC(=O)N1CCO[C@@H](CN[C@@H]2CCN(C)C2=O)C1 1754994743 AFQNHYUGJQFNIY-QWHCGFSZSA-N 311.382 -0.763 30 20 DBED COCC#CCN[C@@]1(CO)CCCN(C(=O)c2cnsn2)C1 1755081379 IOEMTIQGYVUALY-AWEZNQCLSA-N 324.406 -0.255 30 20 DBED CN(CC(=O)NCC#N)C[C@@H]1CCCN1C(=O)c1ncc[nH]1 1755192063 YLMXETXTZQVPTJ-NSHDSACASA-N 304.354 -0.414 30 20 DBED CC#CCN(C)[C@@H](C)CNC(=O)CCc1nnc(O)nc1O 1755306603 OFGTVOSHTNXLSC-JTQLQIEISA-N 307.354 -0.325 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H](C)C1CN(CC(=O)NCCC)C1 1755376565 FVCCJDYOYOMDNV-STQMWFEESA-N 309.410 -0.013 30 20 DBED COCC#CCN1C[C@@H]2C(CNC(=O)[C@@H]3CCNC3=O)[C@H]2C1 1755426985 XDASREKPTXDUEC-MRVWCRGKSA-N 305.378 -0.934 30 20 DBED C#CCCN[C@H](CO)CNC(=O)C[C@@H]1CCCS(=O)(=O)C1 1755644040 WDITXQUMQNPBRR-STQMWFEESA-N 316.423 -0.709 30 20 DBED CN(CCOCCNCC#N)C(=O)c1ccnc2ccnn12 1755873768 KJMHJLXQYKFHLT-UHFFFAOYSA-N 302.338 -0.069 30 20 DBED C#CCCCC(=O)NC[C@@H](CO)NC(=O)c1cc(CC)n(C)n1 1756515801 PUTQKIKVRFNFTE-LBPRGKRZSA-N 320.393 -0.007 30 20 DBED CC(C)C#CC(=O)N(C)C[C@H](O)CNC(=O)C[C@H]1COC(=O)C1 1756662362 KOZNTVGSLPQEOH-CHWSQXEVSA-N 324.377 -0.466 30 20 DBED C#CCOCCC(=O)N(CC)[C@H](C)CNC(=O)[C@H]1CCNC1=O 1756859787 UEUUXLHOOKGTAN-OLZOCXBDSA-N 323.393 -0.484 30 20 DBED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(=O)C3CC3)[C@H]2C1 1784009658 HDWPYUZECNFYIK-AVGNSLFASA-N 304.346 -0.422 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1coc(C)n1)C2 1800450845 KTGCUVAESYQZNB-GNXNZQSNSA-N 303.318 -0.181 30 20 DBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1839805314 IZALYPCCHWBFGE-INIZCTEOSA-N 319.361 -0.374 30 20 DBED C#CC(=O)N1CCCC12CN(C(=O)/C=C\C(=O)NC1CC1)C2 1845959476 UXBCZXWKGBMTQN-SREVYHEPSA-N 301.346 -0.342 30 20 DBED CN(C)C(=O)CN1CCN(C(=O)CN2CCC(C#N)CC2)CC1 57875215 HYYPDCGCDACAGW-UHFFFAOYSA-N 321.425 -0.546 30 20 DBED N#Cc1c(F)cccc1S(=O)(=O)N1C[C@H](O)C[C@H]1C(=O)O 70393982 PBCUAWYPEBSUCZ-XCBNKYQSSA-N 314.294 -0.094 30 20 DBED C#CCSCCNC(=O)c1ccnc2c(C(N)=O)cnn12 163239819 JGJYPOLXGPFFET-UHFFFAOYSA-N 303.347 -0.076 30 20 DBED C#CCCCCC(=O)N1CCN(CCS(N)(=O)=O)CC1 179862119 NYWYATOEHWRKOJ-UHFFFAOYSA-N 301.412 -0.387 30 20 DBED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(OC)nc1C 271952533 CGPRKBXYGWIPSU-UHFFFAOYSA-N 306.322 -0.244 30 20 DBED CCOC(=O)CO/N=C(/C(=O)NC[C@H](O)C1CC1)c1cc[nH]n1 278441792 FIESYSBQYAVPHQ-RGJLELDCSA-N 324.337 -0.419 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@](C)(OC)C2)C1=O 279533989 RVKXZKOHAKUGCS-HNNXBMFYSA-N 323.349 -0.009 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C2(S(C)(=O)=O)CC2)C1=O 281338888 LHAMPCSAPCYBQZ-SNVBAGLBSA-N 300.380 -0.191 30 20 DBED COCCN(CCC#N)S(=O)(=O)NCCn1ccnc1 282874338 PISPLVASVZFQPJ-UHFFFAOYSA-N 301.372 -0.420 30 20 DBED CNC(=O)[C@@H]1CN(c2cc(N)c([N+](=O)[O-])c(C#N)c2)CCO1 283942561 YCVPGFDVFSZAKM-NSHDSACASA-N 305.294 0.000 30 20 DBED C#C[C@@H](C)NC(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 287278419 VHDORVTXCDOXKR-LLVKDONJSA-N 305.338 -0.115 30 20 DBED C=C[C@H](CO)NC(=O)[C@H]1CC(=O)N(C[C@H]2CCCN2CC)C1 290605871 NNCPYFOJDTWONV-BFHYXJOUSA-N 309.410 -0.018 30 20 DBED CN1CC[C@@H](NC(=O)C(=O)Nc2ccc(C#N)c(F)c2)C1=O 290717048 HBAMNZFHWPHCBR-LLVKDONJSA-N 304.281 -0.017 30 20 DBED CS(=O)(=O)N1CCC[C@@H]1C/N=C(/O)N1CCO[C@@H](CO)C1 328753159 SDOPMSVRVMITKX-GHMZBOCLSA-N 321.399 -0.983 30 20 DBED C=CCN1CC[C@H](N2CCC3(CC2)N=C(O)N(C)C3=O)C1=O 328855021 XPBSJNBCGNAFAF-NSHDSACASA-N 306.366 -0.006 30 20 DBED CCn1cc(C#N)c(=O)n(C[C@@H]2CCCS(=O)(=O)C2)c1=O 328862812 ZTSJHLGGPGZINR-JTQLQIEISA-N 311.363 -0.274 30 20 DBED CCN1CCN([C@H](C)C/N=C(/O)c2cn(C)c(=O)nc2O)CC1 329272486 IOMFZYHOJZUXQA-LLVKDONJSA-N 323.397 -0.184 30 20 DBED C[C@H](C/N=C(/O)NC[C@@H]1CN(C)CCN1C)N1CCOCC1 329390469 UYXGCGSGMSBSJQ-ZIAGYGMSSA-N 313.446 -0.544 30 20 DBED COCCCN(C)CCNS(=O)(=O)N1CCO[C@H](C#N)C1 337078763 VINYYZRAHLESLB-GFCCVEGCSA-N 320.415 -0.987 30 20 DBED COC(=O)C[C@H]1CN(S(=O)(=O)N(C)[C@H](C)CC#N)CCO1 337902921 RTQKWHTXDNMSGT-MNOVXSKESA-N 319.383 -0.271 30 20 DBED C=C(C)CN(C)C(=O)C(=O)NCCC(=O)N1CCN(C)CC1 340235118 IEBFUPCVKRPOQH-UHFFFAOYSA-N 310.398 -0.699 30 20 DBED C=CCNC(=O)CNC(=O)c1nn(C)c2ccccc2c1=O 347897701 XNKRZJKEMCPYII-UHFFFAOYSA-N 300.318 -0.035 30 20 DBED C=CCOCCCN1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 348170048 QPVUKCVJXBYKJQ-UHFFFAOYSA-N 323.397 -0.459 30 20 DBED COc1ccc(C#N)cc1NC(=O)C(=O)N(C)[C@H]1COC[C@@H]1O 356925365 QMYVOQSQFLUBKT-RYUDHWBXSA-N 319.317 -0.277 30 20 DBED CC(C)OC[C@@H](CO)N(C)C(=O)NCCn1cnc(C#N)n1 357865564 PPOSMJNZSYJZLF-LLVKDONJSA-N 310.358 -0.423 30 20 DBED N#Cc1ccc(-n2ccc(NC(=O)NC[C@H](O)CO)n2)c(F)c1 367799064 CYGNWUSTKQKVOW-JTQLQIEISA-N 319.296 0.358 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC(O)(CN2CCOCC2)CC1 378426647 IDIUGJXURISQAQ-AWEZNQCLSA-N 309.410 -0.717 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2CCOC(C)(C)C2)C1=O 410882595 JCDWZGWOMBZGKR-GFCCVEGCSA-N 323.393 -0.131 30 20 DBED C=C[C@@H](CO)NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 426859242 OAGRRQIQAAOLBS-QMMMGPOBSA-N 319.273 -0.146 30 20 DBED C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C)CC1 491191993 JZJOWXJMSWHAEO-UHFFFAOYSA-N 302.382 -0.194 30 20 DBED Cc1cc(NC(=O)C(=O)N[C@@H]2CCCN(C)C2=O)ncc1C#N 563383506 DCHBSRYAGUBVLW-LLVKDONJSA-N 315.333 -0.063 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCNC2(C)C)C1=O 582601049 QJGPKKJUJLDSMV-SECBINFHSA-N 308.338 -0.780 30 20 DBED CC[C@@](C)(C#N)C(=O)N1CCN(S(=O)(=O)N(C)C)CC1 586037146 SOUBJSCKZUJHNG-LBPRGKRZSA-N 302.400 -0.123 30 20 DBED CS(=O)(=O)N1CC(CNC(=O)c2cc(O)cc(C#N)c2)C1 589208148 VUTSQVIVMBOEIN-UHFFFAOYSA-N 309.347 -0.115 30 20 DBED CNC(=O)C1CN(C(=O)C(=O)Nc2cc(C)c(C#N)cn2)C1 594294222 UAHHQTMTKAUBHT-UHFFFAOYSA-N 301.306 -0.595 30 20 DBED CN(C)CCN(CC(=O)N(C)C)C(=O)c1ccc(C#N)n1C 598181881 CJOXKYQGQDRZEX-UHFFFAOYSA-N 305.382 -0.011 30 20 DBED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC(=O)N(C)C2=O)CC1 599249449 SRHYSDSSYGAQSM-LBPRGKRZSA-N 321.381 -0.427 30 20 DBED N#CCC1(CN2CCN(C(=O)CN3C(=O)CCC3=O)CC2)CC1 602773706 XMMFBAVANTZZDW-UHFFFAOYSA-N 318.377 -0.027 30 20 DBED CCC[C@H](C#N)NC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 609170468 SDUKLZQHSLVVGC-UONOGXRCSA-N 322.409 -0.024 30 20 DBED CC#CC[C@H](CO)NC(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 645211964 WOXIALIHIRSDNS-VXGBXAGGSA-N 317.411 -0.516 30 20 DBED CC#CC[C@H](CO)NC(=O)[C@](C)(O)Cn1ccc(C)cc1=O 649182082 OVGQNEFZJZNUJJ-CZUORRHYSA-N 306.362 -0.202 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NCCN1CCN(C(C)=O)CC1 666399889 XOOYQQWQRNVFSY-HNNXBMFYSA-N 324.425 -0.262 30 20 DBED C#C[C@@H](CC)NC(=O)N1CCN(C(=O)CN2CCOCC2)CC1 753242718 IMVRTMSPYICMDH-AWEZNQCLSA-N 322.409 -0.416 30 20 DBED N#Cc1cccc(CS(=O)(=O)NC(=O)CN2CCOCC2)c1 778621088 FBGXHCZAEKFHKD-UHFFFAOYSA-N 323.374 -0.164 30 20 DBED Cn1cc(S(=O)(=O)NCc2ccc(C#N)cn2)cc1C(N)=O 780887029 GKOGRLZTTQKUGI-UHFFFAOYSA-N 319.346 -0.131 30 20 DBED C[C@H](O)CN(C)C(=O)C(=O)NCCNc1ncccc1C#N 787776053 SRFKLAGVSJHBTD-JTQLQIEISA-N 305.338 -0.679 30 20 DBED Cn1c(Cl)cnc1CNS(=O)(=O)N1CCO[C@H](C#N)C1 800044516 IXMBIQNOCPZYBP-MRVPVSSYSA-N 319.774 -0.368 30 20 DBED C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)OC)cc1 811829043 IVLAPMCRASXKIR-UHFFFAOYSA-N 311.315 -0.072 30 20 DBED C=C[C@H](O)C(=O)OCC(=O)N[C@@H](C(=O)NC)c1ccccc1 814545442 UCCKMKOUPZOPSP-WCQYABFASA-N 306.318 -0.320 30 20 DBED CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)N[C@@H]1CCCN(O)C1=O 820475867 BQPKFQPTFBBHLI-BDAKNGLRSA-N 321.399 -0.553 30 20 DBED C#CCN(CC(=O)NN1CC(=O)NC1=O)C(=O)OC(C)(C)C 822326640 MWUYHNSMHYVUMK-UHFFFAOYSA-N 310.310 -0.560 30 20 DBED C=CC[C@H](CO)CNS(=O)(=O)c1ccc(-c2nn[nH]n2)nc1 823888163 GPIIGJKOQHYNEQ-VIFPVBQESA-N 324.366 -0.275 30 20 DBED O=C1N=C(NN=Cc2c[nH]c3ccc(-c4nn[nH]n4)cc23)NC1=O 826481809 JEWZTSFMEYQGKN-UHFFFAOYSA-N 323.276 -0.716 30 20 DBED N#C[C@H]1CNC[C@H]1NC(=O)c1cc(C(N)=O)n(-c2ccccc2)n1 834489853 QBLPILLEWWLDKF-GXFFZTMASA-N 324.344 -0.187 30 20 DBED S=C(NCCN1CCOCC1)NN=C1CCn2ccnc21 834919998 MXSZFPFJZDACGP-UHFFFAOYSA-N 308.411 -0.213 30 20 DBED C=CCC[C@@H](CO)NC(=O)C(F)(F)C(=O)N1CCOCC1 836242777 PREAFFVYGOIDDK-JTQLQIEISA-N 306.309 -0.076 30 20 DBED C#CCN(CC#CC)S(=O)(=O)CCS(=O)(=O)N(C)C 881943027 NQKHKAJXWHZZKR-UHFFFAOYSA-N 306.409 -0.834 30 20 DBED CC1(CNC(=O)C(=O)N2CCN(CCC#N)CC2)CCNCC1 884710226 CKGCEQXILJVBMT-UHFFFAOYSA-N 321.425 -0.450 30 20 DBED C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(CCC#N)CC2)CCN1 884717707 JUHWBKOIZYVTLJ-OLZOCXBDSA-N 307.398 -0.699 30 20 DBED COC(=O)CN(CC#N)C(=O)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O 906748251 AYZOWZMVVDRWGO-SFYZADRCSA-N 321.255 -0.031 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@H]2CCOC2)C1 937734363 RJMSKOPNIKCVAS-KKUMJFAQSA-N 319.405 -0.162 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)c2cn3c(n2)COCC3)C1 938190717 PAGNEKRLFRSHSE-QWRGUYRKSA-N 317.349 -0.096 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H]2C[C@H]1[C@H]2NC(=O)Cn1ncnn1 947215284 JIINXSHMLPKBNC-SCVCMEIPSA-N 304.354 -0.399 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(NC(=O)CN2CCCC2=O)CC1 948097225 YGSZVJFFSLWBOL-NSHDSACASA-N 306.366 -0.124 30 20 DBED C[C@H](C#N)C(=O)N1CC(N(C)C(=O)[C@]2(C)CCC(=O)NC2)C1 955060228 DQHXAILINSMAGX-MEBBXXQBSA-N 306.366 -0.268 30 20 DBED C#Cc1cncc(C(=O)N(C)C2CN(C(=O)Cc3nc[nH]n3)C2)c1 955264238 WWDXKSRFCYLPCN-UHFFFAOYSA-N 324.344 -0.294 30 20 DBED Cn1nc2c(c1C(=O)NC[C@@H]1CN(CC#N)C[C@H]1O)CCCC2 958100397 ADJRRNKJISYQQI-BXUZGUMPSA-N 317.393 -0.155 30 20 DBED Cc1cc(C(=O)N(C)[C@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)cnn1 958833074 LEDTWCWVDDAOLD-XDTLVQLUSA-N 317.349 -0.412 30 20 DBED N#CCN1C[C@@H]2C(NC(=O)C3(N4CCOCC4)CCC3)[C@H]2C1 962161840 DNNCAMHMILFTAX-STQMWFEESA-N 304.394 -0.189 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2[C@@H]3CN([C@H]4CCN(C)C4=O)C[C@@H]32)cn1 962327476 SRPRXVDSYRKJPW-XUWVNRHRSA-N 324.384 -0.046 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CN(C(=O)c3cnccn3)CCO2)C1 965285055 JVEIXCUJGQIACP-NSHDSACASA-N 315.333 -0.310 30 20 DBED C[C@@H](C#N)C(=O)N1CC(N2CCN(C(=O)[C@H]3CCCO3)CC2)C1 967177254 GAIPDWYWZMRLNR-GXTWGEPZSA-N 320.393 -0.320 30 20 DBED CCN(C(=O)c1cc(=O)n(C)cn1)C1CN(C(=O)[C@@H](C)C#N)C1 968081700 XJUSAWORCRJQJG-JTQLQIEISA-N 317.349 -0.387 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2O)c1 970414327 MCGKBELBVAXEHK-CVEARBPZSA-N 323.352 -0.222 30 20 DBED C[C@@H](NC(=O)c1cn([C@@H]2CCOC2)nn1)C1CN(CC#N)C1 970710201 HOMYNPDIQJIQKB-ZYHUDNBSSA-N 304.354 -0.187 30 20 DBED C=CCN1CCO[C@]2(CCN(C(=O)CCn3cnnn3)C2)C1 972610983 BVBOBYVKSTXXKK-CQSZACIVSA-N 306.370 -0.448 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1 974393344 RTLZESNOKAWDQJ-LVEVGFFFSA-N 322.365 -0.978 30 20 DBED N#CCN1C[C@H]2[C@H](CNC(=O)c3cnc4n3CCOC4)[C@H]2C1 978302126 JDDRZKNUAXSQMC-CNDDSTCGSA-N 301.350 -0.156 30 20 DBED C[C@@H]1[C@H](NCC#N)CCN1C(=O)Cn1nc2n(c1=O)CCCC2 987313625 PGULRVQMSFJVJC-VXGBXAGGSA-N 318.381 -0.516 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)C(F)F)[C@H](O)C2)[nH]1 991152282 AHTLBYYRWZDYJR-PSASIEDQSA-N 312.276 -0.157 30 20 DBED O=C(N[C@@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1O)c1ccncn1 991692759 QUJSHTLRAFYLAK-OCCSQVGLSA-N 314.345 -0.418 30 20 DBED N#CCN[C@@H]1CCC[C@@H]2CN(C(=O)Cn3cnnc3O)C[C@@H]21 992699353 SUOHJWHNWCCPBL-GRYCIOLGSA-N 304.354 -0.276 30 20 DBED C=CCn1cc(C(=O)NCC2CN(C(=O)[C@@H](C)OC)C2)nn1 1001961129 QFWNCZDECWHBFP-SNVBAGLBSA-N 307.354 -0.313 30 20 DBED C[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1NC(=O)C(N)=O 1005209166 YOFFPYJQDWWDHT-KWQFWETISA-N 303.322 -0.662 30 20 DBED Cn1nnc(CN2CC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)n1 1010643311 LFUSFHCTVJHIHK-SNVBAGLBSA-N 300.326 -0.586 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]2CN(C(=O)CS(C)(=O)=O)C[C@H]21 1022564457 KHJFKJZFUYSHPL-OUAUKWLOSA-N 313.379 -0.750 30 20 DBED C=CCCn1cc(C(=O)N[C@H]2C[C@@H](N[C@@H](CC)C(N)=O)C2)nn1 1022836115 VDCNSLVUBVDHQP-TUAOUCFPSA-N 320.397 -0.032 30 20 DBED N#Cc1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CCOC3)C2)[nH]1 1023157367 CALHGVWSNZFHMC-ZWKOPEQDSA-N 318.333 -0.776 30 20 DBED CC(C)[C@@H](O)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 1023465768 GJTGOYNERJAGBI-JHJVBQTASA-N 320.349 -0.795 30 20 DBED COc1cccc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2O)n1 1025435839 ADSYARVMLOZBPP-YUSALJHKSA-N 318.333 -0.449 30 20 DBED C#CCCN1C[C@H]2[C@H](NC(=O)[C@H]3CN4CCC[C@@H]4CO3)[C@H]2C1 1025798854 LJWSKMZEIHHHIL-LJIZCISZSA-N 303.406 -0.081 30 20 DBED C#CCN1CCC[C@H]1CNC(=O)[C@@H]1CC(=O)N(CCOC)C1 1027916716 RXXLNFCFGOKZBH-KGLIPLIRSA-N 307.394 -0.305 30 20 DBED C#CCN1CCC[C@H]1CNC(=O)[C@H]1CCc2nnc(O)n2C1 1027978360 KOWNYNFDRMPEIH-RYUDHWBXSA-N 303.366 -0.240 30 20 DBED C=CCn1cc(C(=O)NCC2CN(Cc3nc(O)n[nH]3)C2)nn1 1032035618 HRMCUDYLYOKDSU-UHFFFAOYSA-N 318.341 -0.850 30 20 DBED N#CCN1CCO[C@H](CNC(=O)c2ccc3c(n2)OCCO3)C1 1035430875 BDHRMWKMBVKYEG-LLVKDONJSA-N 318.333 -0.193 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2CN(C[C@@H](C)O)CCO2)cn1 1035586539 QXZQKBQPJQCYGC-IUODEOHRSA-N 303.362 -0.126 30 20 DBED C#CCN1CC[C@@H]1CNC(=O)c1ccc(OCC(N)=O)cc1 1038483791 GXZRGUINGYRSBY-CYBMUJFWSA-N 301.346 -0.012 30 20 DBED C=C(Cl)C(C)(C)C(=O)N1CC[C@](O)(CNC(=O)C(N)=O)C1 1040742080 DMUPUDJWERIWNL-ZDUSSCGKSA-N 317.773 -0.670 30 20 DBED C[C@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)c2cccnn2)C1 1040760079 LYHCOYWLOVTXLJ-QMTHXVAHSA-N 303.322 -0.671 30 20 DBED Cc1c[nH]nc1C(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1O 1041006650 YUGPTKVUHBPIEU-GHMZBOCLSA-N 313.321 -0.641 30 20 DBED C#CCCN1CC[C@]2(CCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C2)C1 1041716886 GJLWFTCMOVDMMJ-LRDDRELGSA-N 318.377 -0.468 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@]23CCOC3)C1 1042046854 BHKAAQSQTFCALQ-WFASDCNBSA-N 324.377 -0.695 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)CC[C@H](C)OC)C1 1042692694 VWPQYNPXUZFZGE-LBPRGKRZSA-N 314.382 -0.306 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)[C@H](F)C(C)C)C1 1043043697 OJZZOMWIXDQXNN-VXGBXAGGSA-N 314.357 -0.292 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)[C@H]2CN3CCC2CC3)C1 1043180620 RAYRNRWBFGULBI-AAEUAGOBSA-N 320.393 -0.823 30 20 DBED C=CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)c2ocnc2C)C1 1043568753 BWMRXVXUVBAVGG-LLVKDONJSA-N 323.349 -0.123 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)COc2cccnc2)C1 1043891528 RMGVAANWUFZYCI-LLVKDONJSA-N 318.333 -0.690 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)CCn2ccnn2)C1 1044456236 RRRYURAIDAKHFM-UHFFFAOYSA-N 321.381 -0.430 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)COc2cnn(C)c2)C1 1045382807 QLHLDILAEWURCZ-UHFFFAOYSA-N 322.365 -0.545 30 20 DBED C=C1CC(C)(C(=O)N2CC(O)(CNC(=O)Cn3cncn3)C2)C1 1046870875 HBCUCTIWZIDIKX-UHFFFAOYSA-N 319.365 -0.676 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CCNC2=O)C1 1047407078 YTTBCHQJMAEQIR-WOPDTQHZSA-N 315.801 -0.231 30 20 DBED C#CCCCC(=O)N(C)[C@H]1CN(C(=O)c2cnon2)C[C@@H]1O 1048757548 ILXUPIBNAYSZEG-RYUDHWBXSA-N 306.322 -0.483 30 20 DBED CCCOCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C#CC2CC2)C1 1048821493 PBLVPGCHJSQIDK-KBPBESRZSA-N 308.378 -0.144 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C#CC2CC2)C1 1048825232 ZRFVAVXABLPFHF-SNPRPXQTSA-N 318.373 -0.532 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCOCC2CC2)C1 1048852095 DQMBOHCCRGPNNK-XBFCOCLRSA-N 323.393 -0.007 30 20 DBED N#CCN1C[C@H]2CN(C(=O)c3cn([C@H]4CCOC4)nn3)C[C@H]2C1 1049158675 CSNCTFAFITUZIX-XQQFMLRXSA-N 316.365 -0.233 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H](F)CC)C1 1049200363 IHUDCNHUEUDWRO-WOPDTQHZSA-N 302.346 -0.033 30 20 DBED Cc1n[nH]cc1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)C#N)C1 1049407533 HZJDVPGZUDIMJF-UWJYBYFXSA-N 305.338 -0.479 30 20 DBED C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)Cn1cnc(C(N)=O)n1 1049483516 YGOFLZLKENZVIG-NEPJUHHUSA-N 318.381 -0.372 30 20 DBED C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)Cn1c(O)nnc1O 1049868661 VPUJCEBUDOPGMU-MNOVXSKESA-N 305.338 -0.612 30 20 DBED C=CCN1CCOC[C@@H]1CNC(=O)c1cnn2c(=O)cc[nH]c12 1051152859 LKNFELDTDVNGTD-NSHDSACASA-N 317.349 -0.361 30 20 DBED C=CCN1CCN([C@H]2CCN(C(=O)Cn3ncnn3)C2)CC1 1052025285 ARRCLZTYHJAHIZ-ZDUSSCGKSA-N 305.386 -0.922 30 20 DBED C#CCN1CC2(C1)CN(C(=O)[C@H]1CN3CCC1CC3)CCO2 1053259252 MJHJEPKTHIGLGW-HNNXBMFYSA-N 303.406 -0.125 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)Cn3cccc(C)c3=O)CO2)C1 1053802317 ZBLXORODRNCLIQ-CQSZACIVSA-N 315.373 -0.251 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@H]2[C@H]1CCN2C(=O)COC 1056350230 HUQTWFGRHIUCNW-QWHCGFSZSA-N 321.377 -0.636 30 20 DBED N#Cc1cncc(N[C@@H]2CCN(C(=O)[C@@H]3CCNC(=O)C3)C2)n1 1056599959 WFNJHYPFDHHQIZ-GHMZBOCLSA-N 314.349 -0.113 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)c1cnnc(O)c1 1057445210 LTQCHTUTEIGYLS-UHFFFAOYSA-N 320.349 -0.464 30 20 DBED N#CCSCC(=O)NCCN(CCO)C(=O)[C@@H]1CC1(F)F 1057503439 IFBDHWNMJOQCMP-VIFPVBQESA-N 321.349 -0.165 30 20 DBED Cn1nncc1C(=O)NC1CCN(c2cncc(C#N)n2)CC1 1057864817 KHVGAAMHVAHNDU-UHFFFAOYSA-N 312.337 -0.124 30 20 DBED N#Cc1ccc(N2CCC(NC(=O)Cc3nc[nH]n3)CC2)nn1 1057900785 RBMGCGMZMRDNTN-UHFFFAOYSA-N 312.337 -0.206 30 20 DBED C=CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)c1ncc[nH]1 1057921841 QXRQARCHPVYRRI-NSHDSACASA-N 310.354 -0.449 30 20 DBED Cn1cnc(C(=O)N[C@H]2CCCN(c3nccnc3C#N)C2)n1 1058153923 OUBMZVCEXIBAFG-JTQLQIEISA-N 312.337 -0.124 30 20 DBED CC[C@@H](C(=O)N(CCO)CCNC(=O)C#CC1CC1)N(C)C 1058168805 VVJVSWGEORESOG-AWEZNQCLSA-N 309.410 -0.323 30 20 DBED C=C(C)C(C)(C)C(=O)NCCN(CCO)C(=O)Cn1cncn1 1058885477 QOLWXIWYVJEJEU-UHFFFAOYSA-N 323.397 -0.183 30 20 DBED N#Cc1cncc(N[C@H]2C[C@H](NC(=O)[C@@H]3CNC(=O)N3)C2)n1 1059392180 UCWKMIAJPIRPHU-NRPADANISA-N 301.310 -0.911 30 20 DBED C[C@H](C#N)C(=O)NCC[C@@H]1CCN(C(=O)Cn2cnnc2O)C1 1059506899 JXODTGMVZGPFTH-GHMZBOCLSA-N 320.353 -0.502 30 20 DBED CN1C[C@@H](C(=O)N[C@H]2C[C@@H](Nc3cncc(C#N)n3)C2)NC1=O 1059783222 JYVRTNZNNKBAHF-NGZCFLSTSA-N 315.337 -0.569 30 20 DBED C#CCNC(=O)CC(=O)N1CCOC[C@H]1CNC(=O)CCC 1061206381 LUFUOKDUPVNBER-GFCCVEGCSA-N 309.366 -0.730 30 20 DBED C=CCCC(=O)N1CCOC[C@@H]1CNC(=O)[C@H]1CCC(=O)NC1 1061695226 YOEMIIYDOZNJDB-STQMWFEESA-N 323.393 -0.178 30 20 DBED C=CC(C)(C)C(=O)NC[C@H]1COCCN1C(=O)[C@H]1CNC(=O)N1 1061753575 OMYVPMNCHCOFCO-WDEREUQCSA-N 324.381 -0.776 30 20 DBED C#CCNC(=O)CC(=O)NC1(CNC(=O)[C@H](O)C(C)C)CCC1 1062914976 HBFKTKQIKVLBSJ-CQSZACIVSA-N 323.393 -0.702 30 20 DBED N#Cc1ccc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)c2ccc(O)nn2)nn1 1064217024 RZLJNSQHCZPLGR-FDLBOYPASA-N 323.316 -0.149 30 20 DBED N#Cc1cccnc1N1C[C@H]2C[C@H]1[C@H]2NC(=O)Cn1nccn1 1064301064 MXKHCTKKZNMWBA-DYEKYZERSA-N 309.333 -0.062 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)Cn2c(O)nnc2O)CCC1 1064306570 LMWQRHXGIPELNF-QMMMGPOBSA-N 322.325 -0.996 30 20 DBED C=C(C)CCC(=O)N1CCO[C@@H](CNC(=O)[C@@H]2CCNC2=O)C1 1065227264 YXGLTANEBXROII-QWHCGFSZSA-N 323.393 -0.178 30 20 DBED Cc1cc(C#N)nc(N[C@H](C)[C@H]2CCN(C(=O)C(N)=O)C2)n1 1065766111 DONJSMQUNXFBGA-ZJUUUORDSA-N 302.338 -0.209 30 20 DBED C[C@@H]1CN(C(=O)c2cnnn2C)C[C@@H]1N=c1cc[nH]c(C#N)n1 1067085701 GLOCWTNOIUPMMR-ZJUUUORDSA-N 312.337 -0.529 30 20 DBED C[C@H](Nc1ncccc1C#N)[C@H]1CN(C(=O)CC(N)=O)CCO1 1068228163 WFRFSTLFGJEMAA-CMPLNLGQSA-N 317.349 -0.144 30 20 DBED N#Cc1cncc(N2C[C@@H]3CC[C@@H](NC(=O)C(N)=O)C[C@H]3C2)n1 1068267340 QLVLTHPBNAYRKL-GARJFASQSA-N 314.349 -0.445 30 20 DBED C=CCCC(=O)N1CC2(C1)CN(C(=O)c1cnnn1C)CCO2 1068390304 DZQIOVJKAXPBEW-UHFFFAOYSA-N 319.365 -0.165 30 20 DBED C=CCCC(=O)N1CC2(C[C@H](NC(=O)CN(C)C(C)=O)CO2)C1 1068711700 XGEKQBSVLWNNOP-ZDUSSCGKSA-N 323.393 -0.083 30 20 DBED Cc1nn[nH]c1C(=O)NC1(CNC(=O)[C@@H](C)C#N)CCOCC1 1070185004 YVBGZKYPLOELOC-VIFPVBQESA-N 320.353 -0.332 30 20 DBED C=CCN1C[C@H]2C[C@@H]3CN(C(=O)Cn4ncnn4)C[C@@]3(C1)O2 1070798553 UYOVKFRPELZPAB-YRGRVCCFSA-N 304.354 -0.839 30 20 DBED Cn1ncc(C(=O)N2C[C@@H]3C[C@@H]4CN(CC#N)C[C@]3(C2)O4)n1 1070866766 AVAGXJTYKZEWGU-MISXGVKJSA-N 302.338 -0.746 30 20 DBED CC#CCN1C[C@H]2C[C@@H]3CN(C(=O)c4cnn(C)n4)C[C@@]3(C1)O2 1070867665 MOWCSWIVZCLVMU-XJKCOSOUSA-N 315.377 -0.246 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)C[C@@H]2COC(=O)C2)CC1 1070956550 ROUABGNPQHTVRE-ZDUSSCGKSA-N 323.393 -0.224 30 20 DBED C=CCN1CC[C@]2(C1)CN(C(=O)Cn1cnnn1)C[C@H](C)O2 1071134288 PMTWCKJJMRFXCG-JSGCOSHPSA-N 306.370 -0.449 30 20 DBED C[C@H]1CN(C(=O)CNC(N)=O)C[C@@H]1NC(=O)c1c[nH]c(C#N)c1 1071574395 LUUVLPCWJUJZRE-KWQFWETISA-N 318.337 -0.869 30 20 DBED C[C@H]1CN(C(=O)CNC(=O)C2CC2)C[C@@H]1NC(=O)C#CC1CC1 1071686852 AGXWMQKCSBVFBR-FZMZJTMJSA-N 317.389 -0.111 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(C(=O)Cc2cc[nH]n2)C[C@@H]1C 1071851543 YYYSHYLTALGDBG-GXTWGEPZSA-N 318.377 -0.045 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1NC(=O)C(=O)NCC1CC1 1072038697 IMNNLVNEINABGB-RISCZKNCSA-N 317.389 -0.111 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)Cc2n[nH]c(C)n2)C[C@H]1C 1072062990 JJHUERNJBJCMTC-ZYHUDNBSSA-N 321.381 -0.179 30 20 DBED C=C(C)CCC(=O)N1C[C@H](C)[C@H](NC(=O)Cn2ncnn2)C1 1072222574 MJVPLLLEXZYAIO-NWDGAFQWSA-N 306.370 -0.008 30 20 DBED C[C@H](NC(N)=O)C(=O)N1CCC(C)(NC(=O)[C@H](C)C#N)CC1 1072977735 NZEMALPEVPSBQH-ZJUUUORDSA-N 309.370 -0.300 30 20 DBED C=CCOCC(=O)NC1(C)CCN(C(=O)Cn2nccn2)CC1 1073055479 MPYDPEAJQRLFPR-UHFFFAOYSA-N 321.381 -0.022 30 20 DBED N#CCN[C@@H]1C[C@H](NC(=O)CN2C(=O)CNC2=O)C12CCC2 1078802524 DZZAFQNJOGNYAX-ZJUUUORDSA-N 305.338 -0.921 30 20 DBED CN(C(=O)CSCC#N)[C@H]1CCCN(C(=O)C(N)=O)CC1 1078837130 YNIXTFFCLDRNPW-JTQLQIEISA-N 312.395 -0.432 30 20 DBED C=CCOCC(=O)N(CC)C1CN(C(=O)C[C@@H]2CCNC2=O)C1 1079491361 FLPICRITDQYPKG-LBPRGKRZSA-N 323.393 -0.226 30 20 DBED C#CCOCCC(=O)N(CC)C1CN(C(=O)[C@@H](C)NC(C)=O)C1 1079773407 JOCFUJDUPLEIMC-GFCCVEGCSA-N 323.393 -0.390 30 20 DBED C=CCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)Cc2nc[nH]n2)C1 1079981622 WGGIVKKCBXOKDS-NSHDSACASA-N 321.381 -0.002 30 20 DBED CC(C)C#CC(=O)N1C[C@H](CNC(=O)c2ncc[nH]2)[C@@H](O)C1 1081454854 FQCKGNCZMOSVPE-RYUDHWBXSA-N 304.350 -0.382 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1ccn(CCOC)n1 1083139054 FKIFFUJGUVOLGD-LSDHHAIUSA-N 318.377 -0.312 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CN(Cc3cnsn3)C[C@@H]2O)[nH]1 1083413422 MZHARTJPVFFWMX-NEPJUHHUSA-N 318.362 -0.287 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)c2cnc3[nH]c(O)nc3c2)C1 1083588585 REDJFJOSFDNXCP-MNOVXSKESA-N 303.322 -0.376 30 20 DBED C=C(C)CN1CC[C@@H]2CN(C(=O)CN3CC(=O)NC3=O)[C@@H]2C1 1084725365 WIIGXSPZGURBJV-VXGBXAGGSA-N 306.366 -0.353 30 20 DBED C=CCN1CC[C@@H]2CCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C[C@@H]21 1085045326 IJUMDRZJAXJXOP-WOPDTQHZSA-N 306.366 -0.307 30 20 DBED C#CCN1CC[C@H]1CN(C)C(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 1085593935 VFYQXYCSDOTVKE-STQMWFEESA-N 315.377 -0.072 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2cccc3nn[nH]c23)[C@H](O)C1 1090288118 YQOAFMTYULBTTP-ZYHUDNBSSA-N 300.322 -0.354 30 20 DBED CCN(CC)CC(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1O 1090429366 CBWAUPVJSSISQR-VXGBXAGGSA-N 318.381 -0.644 30 20 DBED CNC(=O)c1ccc(C(=O)N[C@@H]2CCN(CC#N)C[C@@H]2O)cn1 1090734889 RPKHYYINRQHKEP-YPMHNXCESA-N 317.349 -0.870 30 20 DBED CC[C@H](C)OCC(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1091090879 LRHQKHYFOJDIKQ-TUAOUCFPSA-N 319.365 -0.171 30 20 DBED CNC(=O)CCCC(=O)N1CCN(c2cnc(C#N)cn2)CC1 1093148734 ONRFNOFGROJIQR-UHFFFAOYSA-N 316.365 -0.087 30 20 DBED C#CCN1CC(OC2CCN(C(=O)C[C@H]3CCC(=O)N3)CC2)C1 1093582457 FXNBMMKSZPVKGK-CYBMUJFWSA-N 319.405 -0.020 30 20 DBED N#Cc1nccnc1NCCNC(=O)[C@@H]1CCCS1(=O)=O 1093670150 PZAZSMOYBTZECV-JTQLQIEISA-N 309.351 -0.546 30 20 DBED N#Cc1cncc(NCCNC(=O)c2cnn3c(=O)cc[nH]c23)n1 1094160571 VXKVUANBOUAROQ-UHFFFAOYSA-N 324.304 -0.474 30 20 DBED C[C@@H]1CO[C@H](C(=O)NCc2cn(C3CN(CC#N)C3)nn2)C1 1094306931 ZIIXFELMWUXCAZ-GWCFXTLKSA-N 304.354 -0.300 30 20 DBED C#CCN1CC(n2cc(CNC(=O)[C@@H]3CN(C)C[C@@H]3C)nn2)C1 1094316561 KTGNJGXBJPDJGD-SWLSCSKDSA-N 316.409 -0.418 30 20 DBED N#Cc1nc(=NCCCNC(=O)CNC(=O)C2CCC2)cc[nH]1 1094461886 UZHAMKCBUODYEY-UHFFFAOYSA-N 316.365 -0.395 30 20 DBED N#Cc1nc(=NCCCNC(=O)C23CCN(CC2)C3)cc[nH]1 1094505958 KZROAGKOJDJWGG-UHFFFAOYSA-N 300.366 -0.216 30 20 DBED N#Cc1cncc(NCCCNC(=O)[C@@H]2CCS(=O)(=O)C2)n1 1094662078 WEMCDNPFHJFEPZ-SNVBAGLBSA-N 323.378 -0.299 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)c3ccc(O)nn3)CC2=O)C1 1094698689 IJNMJUKIIBQNLG-SNVBAGLBSA-N 317.349 -0.617 30 20 DBED CCNC(=O)CC(=O)NC1CCN(c2cncc(C#N)n2)CC1 1095413092 WLVUIHPRRULWOI-UHFFFAOYSA-N 316.365 -0.041 30 20 DBED CN(CCCNC(=O)CN1CCCC1=O)c1nccnc1C#N 1095486291 QHDLXIYHDQZMMT-UHFFFAOYSA-N 316.365 -0.087 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCCN(c2ncccn2)C1 1096162247 GEGHKYWALKMTKU-GFCCVEGCSA-N 301.350 -0.299 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CCN(c2ccc(C#N)cn2)C1 1096361213 XQQXTYHFTMYZPF-ZDUSSCGKSA-N 311.345 -0.212 30 20 DBED N#Cc1ccc(N2C[C@@H]3CC[C@H](C2)N3C(=O)CNC(N)=O)nc1 1096882482 ODKTYBTVINPCII-TXEJJXNPSA-N 314.349 -0.199 30 20 DBED C[C@H](NC(N)=O)C(=O)N[C@H]1C[C@@H](N=c2cc[nH]cc2C#N)C1 1097175120 FHTFKQYUMNZNFY-INTQDDNPSA-N 302.338 -0.509 30 20 DBED Cc1cc(C#N)nc(N2CCC[C@H]([C@H](C)NC(=O)C(N)=O)C2)n1 1097548386 URDBYCQJHLGJRK-QWRGUYRKSA-N 316.365 -0.137 30 20 DBED C[C@@H](CNC(=O)c1cc(=O)n(C)o1)Nc1cncc(C#N)n1 1097783177 SKALDOZNJLMCCG-QMMMGPOBSA-N 302.294 -0.130 30 20 DBED C[C@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)Nc1cncc(C#N)n1 1098264840 VMBOFQRGEPQQIR-DVVUODLYSA-N 318.337 -0.702 30 20 DBED COCC(=O)NCCC(=O)NC[C@@H](C)Nc1nccnc1C#N 1098329183 DIQBDJUFFFVBDB-SNVBAGLBSA-N 320.353 -0.582 30 20 DBED C#CCNCc1cn([C@H]2CCN(C(=O)[C@@H]3CCOC3)C2)nn1 1098633968 NTOZIWJAKCJXAL-OCCSQVGLSA-N 303.366 -0.189 30 20 DBED C[C@@H](CCNC(=O)Cn1nccn1)Nc1cncc(C#N)n1 1099535690 CVJPYIKYVYYGNB-JTQLQIEISA-N 300.326 -0.053 30 20 DBED CNC(=O)CN1C[C@@H](NC(=O)[C@H](C)C#N)CC2(CCOCC2)C1 1099572266 TYSSTFVHVSASIM-OLZOCXBDSA-N 322.409 -0.121 30 20 DBED C[C@H](CCNC(=O)c1nnn(C)n1)N=c1cc[nH]cc1C#N 1099618941 GIOCYCUASYHMSO-SECBINFHSA-N 300.326 -0.481 30 20 DBED CCN(CCC#N)C(=O)CN1CC[C@@H](NC(=O)C(C)C)[C@H](O)C1 1099669244 OJLKOSSZQDIBIO-ZIAGYGMSSA-N 324.425 -0.044 30 20 DBED C[C@H](CCNC(=O)[C@@]1(C)CCNC1=O)N=c1cc[nH]c(C#N)n1 1099687861 GGDUYUPESCLDNI-MEBBXXQBSA-N 316.365 -0.397 30 20 DBED CC(C)=C(F)C(=O)N[C@@H]1CCN(CC(=O)NCC#N)C[C@@H]1O 1099766791 QHAUDGFVAHNHKH-MNOVXSKESA-N 312.345 -0.559 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CCN(CCn2cncn2)C[C@@H]1O 1099826361 KFPTYIDLZJYVFL-KGLIPLIRSA-N 303.366 -0.757 30 20 DBED CN(CCNC(=O)CNC(N)=O)c1ncc(C#N)cc1Cl 1099910655 NFEGVLDCCKZAOL-UHFFFAOYSA-N 310.745 -0.173 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2ccnnc2)[C@@H](O)C1 1100013934 VRXFOXJZLVYNOC-KGLIPLIRSA-N 304.350 -0.709 30 20 DBED C#CCNC(=O)CC(=O)NCCN(C)c1nccc(SC)n1 1100037659 LWUZLRFJSXSBJH-UHFFFAOYSA-N 321.406 -0.110 30 20 DBED N#CCN1CC[C@H](NC(=O)CNC(=O)c2ccccc2)[C@H](O)C1 1100083474 SUCPNJUCLUKYEX-UONOGXRCSA-N 316.361 -0.509 30 20 DBED CN(CCNC(=O)[C@@H]1CCC(=O)NC1)c1nccnc1C#N 1100403834 ABNTWEUCQDHNES-SNVBAGLBSA-N 302.338 -0.573 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)[C@@H]1CN2CCC1CC2 1101801603 BQWMZOXWTZNHHJ-CYBMUJFWSA-N 314.393 -0.018 30 20 DBED CC[C@@H](CNC(=O)Cn1cnnn1)Nc1ccc(C#N)nn1 1102969094 VKGFHFGQAQRVEY-VIFPVBQESA-N 301.314 -0.658 30 20 DBED CC[C@H](CNC(=O)Cn1cncn1)Nc1cncc(C#N)n1 1103085767 HHJDXBLEBSRIOR-SNVBAGLBSA-N 300.326 -0.053 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](C)CNC(=O)[C@@H]2CCNC2=O)n1 1104157431 MWBFVKZIPHSLRG-JOYOIKCWSA-N 316.365 -0.043 30 20 DBED C[C@H](NC(N)=O)C(=O)N(C)[C@@H](C)CNc1nccnc1C#N 1104534902 FQYNPGFSJZEAHI-IUCAKERBSA-N 305.342 -0.336 30 20 DBED C#CCNCc1cn(C2CN(C(=O)[C@H]3C[C@@H]3OCC)C2)nn1 1105171149 AVVQCGBSVQXPQN-KBPBESRZSA-N 303.366 -0.191 30 20 DBED C=CCNCc1cn(C2CN(C(=O)c3c[nH]c(=O)cn3)C2)nn1 1105313836 IYNAKZWQXZFMBH-UHFFFAOYSA-N 315.337 -0.666 30 20 DBED CN(CCN(C)c1ncccc1C#N)C(=O)CS(C)(=O)=O 1105342191 RZTRPGQGHHLIQC-UHFFFAOYSA-N 310.379 -0.108 30 20 DBED Cc1cc(C(=O)NC[C@H](O)CNc2nccnc2C#N)nn1C 1105733601 WRGFWIZCXCRHPD-SNVBAGLBSA-N 315.337 -0.407 30 20 DBED CNC(=O)CC(=O)NC[C@H](O)CNc1snc(C)c1C#N 1105799018 RISQYTAZHWOQLR-QMMMGPOBSA-N 311.367 -0.652 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)[C@@H](C)OCC)C[C@H]1C 1105854817 BGQQDEUAPZWSNC-MGPQQGTHSA-N 309.410 -0.155 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)Cc2nc[nH]n2)nc1 1105958410 AROZWIRPSRBGJB-SNVBAGLBSA-N 301.310 -0.797 30 20 DBED CN(C)CC1(C(=O)NC[C@@H](O)CNc2cncc(C#N)n2)CC1 1106099347 BLHLJTCJTKCZDN-LBPRGKRZSA-N 318.381 -0.421 30 20 DBED C[C@H](CCNc1ncccc1C#N)NC(=O)Cn1ncnn1 1106455069 ZFDCAKMCUPRIEE-SNVBAGLBSA-N 300.326 -0.053 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)C(C)(C)NC(C)=O 1106796746 ABFVLWJQIRVHDF-UHFFFAOYSA-N 318.381 -0.055 30 20 DBED CCN(CCNc1cnc(C#N)cn1)C(=O)C1CS(=O)(=O)C1 1106849772 PUMNCTYDPZDFNN-UHFFFAOYSA-N 323.378 -0.347 30 20 DBED CS(=O)(=O)CC(=O)NC/C=C/CNc1nccnc1C#N 1107105160 KVHULCAJUAULSS-NSCUHMNNSA-N 309.351 -0.523 30 20 DBED CC#CCN1CC(n2cc(CNC(=O)[C@H](O)C(C)C)nn2)C1 1107168267 SRUHUXYJCRMKMP-CQSZACIVSA-N 305.382 -0.209 30 20 DBED C#CCN1CC(n2cc(CNC(=O)C3(F)CCOCC3)nn2)C1 1107177952 FETGYDSCYROXII-UHFFFAOYSA-N 321.356 -0.097 30 20 DBED C#CCN1CC(n2cc(CNC(=O)[C@@]3(C)CCOC3)nn2)C1 1107223258 XBUWXNAJELLIEQ-HNNXBMFYSA-N 303.366 -0.189 30 20 DBED CC#CCN1CCO[C@@](C)(CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 1108210612 BTXCYWLMNNQFPM-ZENOOKHLSA-N 323.393 -0.750 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)c1cn(C)ccc1=O 1108226703 HNFBZWDFISWFIT-SNVBAGLBSA-N 312.333 -0.301 30 20 DBED C#CCCN1CC(N2C[C@H](NC(=O)[C@H](O)C(C)C)CC2=O)C1 1108543191 UNBWKAZMOSTRDX-IUODEOHRSA-N 307.394 -0.572 30 20 DBED C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2[C@@H]1CCC(=O)NC1=O 1109070591 DCXDEKOFQMXFIG-MROQNXINSA-N 321.377 -0.284 30 20 DBED C[C@@H](CN(C)c1nccnc1C#N)NC(=O)[C@@H]1CCC(=O)N1C 1109179046 KFJYXXKOIYCEQW-JQWIXIFHSA-N 316.365 -0.090 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1109265876 INKGSNUTXWFQDY-MQYQWHSLSA-N 318.377 -0.614 30 20 DBED C=CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CS(=O)(=O)N(C)C 1110050210 UFJYCNFUPFCUHF-WOPDTQHZSA-N 301.412 -0.215 30 20 DBED N#CCSCC(=O)NCC1(Nc2nccn3nnnc23)CC1 1110076949 ZGILNNXTDYLNLC-UHFFFAOYSA-N 318.366 -0.163 30 20 DBED N#Cc1cccnc1NCCN(CCO)C(=O)c1nc[nH]n1 1111496404 COIWASORWDSJQD-UHFFFAOYSA-N 301.310 -0.382 30 20 DBED N#Cc1cnc(NCCN(CCO)C(=O)Cc2ncc[nH]2)cn1 1111496661 VMFCXOHYOWYVGO-UHFFFAOYSA-N 315.337 -0.453 30 20 DBED COCCC(=O)NC[C@@H]1COCCN1c1ccc(C#N)nn1 1111649344 JMKWNDIKBIVQET-GFCCVEGCSA-N 305.338 -0.294 30 20 DBED CC(C)(O)CC(=O)NC[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1O 1112718309 UAYHCHZSDGFONB-GHMZBOCLSA-N 319.365 -0.577 30 20 DBED C#CCCCC(=O)N1CCN(C[C@H](O)CN2CCCC2=O)CC1 1112808720 MNJVFSFXINRPJY-HNNXBMFYSA-N 321.421 -0.083 30 20 DBED COCC#CCN1CCN(C(=O)C[C@@H]2CCN(C)C2=O)CC1 1112994926 LJPZZTGZPHCOQN-AWEZNQCLSA-N 307.394 -0.351 30 20 DBED COCC#CCN1CCN(C(=O)c2cn3c(n2)COCC3)CC1 1113012718 ZIAWFZLFWGWVPF-UHFFFAOYSA-N 318.377 -0.179 30 20 DBED C=CCOCCN1CCN(C(=O)[C@H]2CCCS2(=O)=O)CC1 1113656356 FCMDTDJOEYUUSP-CYBMUJFWSA-N 316.423 -0.090 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CN(c2ccnc(C#N)n2)CC[C@H]1C 1114011560 RXUPDXZTRHLUGF-GHMZBOCLSA-N 316.365 -0.185 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H]1[C@@H]2CN(Cc3cnnn3C)C[C@@H]21 1114270420 FDZYYGAAKCJUBU-ZZVYKPCYSA-N 303.366 -0.600 30 20 DBED CC1(C)CN(c2ccc(C#N)nc2)C[C@@H]1NC(=O)CNC(N)=O 1114423794 OHTBUNMVQLYUAT-LBPRGKRZSA-N 316.365 -0.047 30 20 DBED CCC[C@@H](OCC)C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1114719359 FORMHLLUQPYINY-COMQUAJESA-N 322.409 -0.122 30 20 DBED CC(=O)N[C@@H](C)C(=O)N[C@H]1C[C@H](CN=c2cc[nH]c(C#N)n2)C1 1114733399 BWMLBCUZUXUUHY-DLOVCJGASA-N 316.365 -0.399 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)[C@@H]3CCO[C@H]3C=C)[C@H]2C1 1114855962 FXOUDWBRHTTZAJ-RFGFWPKPSA-N 319.405 -0.074 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)CCc3cn[nH]c3)[C@@H]2C1 1114954774 WOIYHNUYXYRXPL-CHWSQXEVSA-N 315.377 -0.862 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)c3cccnn3)[C@@H]2C1 1115008240 XKBNBQQCLNQFCX-QJPTWQEYSA-N 315.377 -0.173 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3[nH]cnc3C)[C@H]2C1 1115356727 OYLCWDRTJCCHRG-QWRGUYRKSA-N 301.350 -0.872 30 20 DBED CN(C(=O)CNC(N)=O)[C@H](CNc1cnc(C#N)cn1)C1CC1 1115466824 ASGFLOMUQXHWEA-LLVKDONJSA-N 317.353 -0.335 30 20 DBED C=CC[C@H](CC)NC(=O)C(=O)NCCNC(=O)c1cc[nH]n1 1117584693 WEEJCRZWRMVDQT-JTQLQIEISA-N 307.354 -0.273 30 20 DBED C#CCOCCn1nnnc1N1CCC[C@@H](S(C)(=O)=O)C1 1120252205 OIBJITLNFKULOR-LLVKDONJSA-N 313.383 -0.664 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)CNC(=O)C2CC2)nc1 1121099237 FRBKKDNWIHUSEK-LBPRGKRZSA-N 317.349 -0.632 30 20 DBED Cn1cnn(CCC(=O)NC2CC3(CC(NCC#N)C3)C2)c1=O 1121468829 BYTMXZQZKXCPGG-UHFFFAOYSA-N 318.381 -0.488 30 20 DBED Cc1nc(N[C@H](CO)CNC(=O)CCCC(N)=O)ccc1C#N 1121710520 FQXBCRNBKYOFDI-LBPRGKRZSA-N 319.365 -0.194 30 20 DBED Cc1cc(=N[C@@H](CO)CNC(=O)[C@H](C)CC(N)=O)c(C#N)c[nH]1 1122357690 WQWCPPGVLXAGKO-BXKDBHETSA-N 319.365 -0.916 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](CO)N=c1cc[nH]cc1C#N 1122595194 ZEEVEXMXEGDIIM-GUTXKFCHSA-N 316.361 -0.145 30 20 DBED C[C@H]1C[C@@H](Nc2cnc(C#N)cn2)CN1C(=O)CCNC(N)=O 1123232587 RDLMCEAEJXAIRG-VHSXEESVSA-N 317.353 -0.192 30 20 DBED CN(C[C@H](O)CNc1cncc(C#N)n1)C(=O)c1cn(C)nn1 1124296002 ROWIIHPFPYOLKT-SNVBAGLBSA-N 316.325 -0.978 30 20 DBED CN(C[C@@H](O)CNc1ncccc1C#N)C(=O)c1cn(C)nn1 1124296260 ZNZXHQBFVWKJCN-NSHDSACASA-N 315.337 -0.373 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)Cc1ccc[nH]1 1124365299 YLXAZPAXLSCLMI-GFCCVEGCSA-N 314.349 -0.428 30 20 DBED C[C@@H]1CC[C@H](C(=O)N(C)C[C@H](O)CN=c2cc[nH]c(C#N)n2)O1 1124769876 OUBIGPXBTBCKDO-IJLUTSLNSA-N 319.365 -0.431 30 20 DBED C=CCOCCCC(=O)NCCNCCN1C(=O)CCC1=O 1125261048 STUBCGQOABGFOJ-UHFFFAOYSA-N 311.382 -0.176 30 20 DBED C=CCCN[C@@H]1CN(C(=O)CNC(C)=O)C[C@@H]1n1ccnn1 1129541070 LUFRZDDJXDWTEZ-OLZOCXBDSA-N 306.370 -0.668 30 20 DBED C=CCCN1CCNC(=O)CCN(C(=O)CC(=O)N(C)C)CC1 1131386194 YEFGMPBKSOCKBD-UHFFFAOYSA-N 324.425 -0.309 30 20 DBED CNC(=O)NCC(=O)N1CCC([C@@H]2OCC[C@H]2NCC#N)CC1 1131512264 WBOQZSJHWRJPOG-OCCSQVGLSA-N 323.397 -0.575 30 20 DBED N#CCNC(=O)CNCCNC(=O)C[C@H]1CC[C@H](C2CC2)O1 1131584840 FNOAOLSLJMKREL-CHWSQXEVSA-N 308.382 -0.320 30 20 DBED C[C@@H]1CN(C(=O)C(=O)NCC2CC2)C[C@]2(CCN(CC#N)C2)O1 1131691975 BXRDLWMJISXKQE-MLGOLLRUSA-N 320.393 -0.272 30 20 DBED CC#CCN1C[C@H](NC(=O)CCS(=O)(=O)NC)CC[C@H]1C 1132037939 LDNOIAKEVUOLFF-CHWSQXEVSA-N 315.439 -0.082 30 20 DBED C[C@H]1CC[C@H](NC(=O)C(C)(C)C(N)=O)CN1CC(=O)NCC#N 1132120425 ROSMZJBAVDANRQ-QWRGUYRKSA-N 323.397 -0.893 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)CN2CCC[C@@H]2C)C1=O 1133824037 WJWXKCVNWSKRML-KBPBESRZSA-N 308.426 -0.037 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)Cc1ncc[nH]1 1135799222 TYOMEIGRZVXSFQ-RYUDHWBXSA-N 305.382 -0.426 30 20 DBED C#CCN[C@H](C)C[C@H](C)NC(=O)CN1C(=O)NC(=O)C1(C)C 1135881917 DXIUHRJCCBOINB-MNOVXSKESA-N 308.382 -0.177 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)c1ccn(C)n1)NCC(=O)NCC#N 1146322691 IYPIXEBZLSFVFW-WDEREUQCSA-N 306.370 -0.454 30 20 DBED COc1ccc(CNCCCNC(=O)CNC(N)=O)cc1C#N 1154457836 PFDUNKLCCXGCDM-UHFFFAOYSA-N 319.365 -0.169 30 20 DBED CCN(CC#N)[C@H](C)CNC(=O)[C@@H]1CCc2nnnn2CC1 1155353010 GDZCBLVUWLFYJQ-VXGBXAGGSA-N 305.386 -0.024 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)c1ccc(C(N)=O)o1 1162193470 MAEODQFCGAYALQ-SNVBAGLBSA-N 320.349 -0.774 30 20 DBED CC#CCNCC1(CCNC(=O)C[C@H]2CC(=O)NC2=O)CC1 1168580985 QJEODEUMFRFTJU-LBPRGKRZSA-N 305.378 -0.061 30 20 DBED CCN(CCC#N)C(=O)CNCCCNC(=O)Cn1cncn1 1175465119 VWUUYRHZADDNCQ-UHFFFAOYSA-N 321.385 -0.864 30 20 DBED CC#CCN1CCO[C@@H]2CCN(C(=O)CNC(=O)C3CC3)C[C@@H]21 1176936200 DTYNUQTWDCRYGU-LSDHHAIUSA-N 319.405 -0.162 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)[C@@H]2CCCO2)[C@H]1C 1178494381 XXFYHBPNAQFKBP-XUXIUFHCSA-N 307.394 -0.118 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](NCCN(C)S(C)(=O)=O)C1 1181653311 XJGDPVWWMPGXOB-WDEREUQCSA-N 302.400 -0.772 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@@H](NCC(=O)Nc2ccon2)C1 1182473577 VNTYOTINPBXGJV-NWDGAFQWSA-N 320.349 -0.158 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)[C@@H]2CN(C)CCO2)C1 1189515957 DKGDOOZMIKJIDQ-KGLIPLIRSA-N 324.425 -0.848 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2ncoc2CC)C1 1191994728 CFRZTNWFIZNVSI-GHMZBOCLSA-N 322.365 -0.686 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CN(Cc2nnnn2C2CC2)C[C@H]1O 1192770576 LWGDGDLMJVGDMX-CHWSQXEVSA-N 316.365 -0.917 30 20 DBED C=CCOCCN(C)[C@H]1CCN(C(=O)CCn2cnnn2)C1 1193027287 PBXUKFKLHADGTD-ZDUSSCGKSA-N 308.386 -0.202 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C2(C)C[C@@H]3C[C@H]3C2)C1 1194893279 QAAHHEGUPRFAIL-IGQOVBAYSA-N 319.405 -0.667 30 20 DBED CCO[C@@H]1C[C@H]1C(=O)N1CCCN(CC(=O)NCC#N)CC1 1195017016 OCEJMKVYOKDHJE-CHWSQXEVSA-N 308.382 -0.415 30 20 DBED C#CCCN1CCCN(C(=O)CCS(=O)(=O)NC)CC1 1195831976 CHZURHCSVQUYTJ-UHFFFAOYSA-N 301.412 -0.517 30 20 DBED C=CCOCCN1CCCN(C(=O)C[C@@H]2CC(=O)NC2=O)CC1 1198422744 FKPZEUFIUWHYDS-ZDUSSCGKSA-N 323.393 -0.224 30 20 DBED C[C@]1(C(=O)N2CCCO[C@H](CNCC#N)C2)CCNC(=O)C1 1200795449 KQFGWDFLRSQGJB-DOMZBBRYSA-N 308.382 -0.367 30 20 DBED CC(C)(C)C(=O)N1CCCO[C@@H](CNCC(=O)NCC#N)C1 1201917315 LKBYCNHFLNOMTN-LBPRGKRZSA-N 310.398 -0.121 30 20 DBED C#CCNC[C@@H]1CN(C(=O)[C@H](C)CN2CCOCC2)CCCO1 1202071167 XPCYPYKWBGSYGA-HZPDHXFCSA-N 323.437 -0.205 30 20 DBED N#CCNC(=O)CN[C@@H]1C[C@H](NC(=O)C(F)F)C12CCC2 1202289910 KCFQCSQBLJLTLH-BDAKNGLRSA-N 300.309 -0.092 30 20 DBED C#CCNC(=O)CN[C@@H]1C[C@H](NC(=O)c2cnon2)C12CCC2 1203508592 ZHRDRWFTMHRCGP-NEPJUHHUSA-N 317.349 -0.550 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)c2cccnn2)CC1 1206661715 HHLYEAYUYNXDPI-UHFFFAOYSA-N 315.377 -0.332 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)CO[C@@H]2CCOC2)C1 1208022519 ZYMJXTOQQUCILH-UONOGXRCSA-N 323.393 -0.878 30 20 DBED C=CCOCCN1C[C@@H](NC(=O)CCn2ccnn2)[C@H](OC)C1 1212180057 HHDMUDVPRJEGRH-ZIAGYGMSSA-N 323.397 -0.314 30 20 DBED C=CCOCCN[C@@H]1CN(C(=O)c2nnc(O)nc2O)C[C@H]1C 1215067299 OUWJLXIIDBXVJG-NXEZZACHSA-N 323.353 -0.465 30 20 DBED C[C@@H]1CN(C(=O)[C@@]2(C)CCCOC2)C[C@H]1NCC(=O)NCC#N 1216090185 BQOSYWOWOBLGFM-IOASZLSFSA-N 322.409 -0.121 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(C[C@H]2CCNC(=O)CC2)C[C@@H]1O 1219587337 BAGBTQBODXLHET-KFWWJZLASA-N 321.421 -0.277 30 20 DBED CCc1oncc1C(=O)N[C@@H]1CN(CC#CCOC)C[C@@H]1O 1220444169 KWAIKMMFZRXDNS-OLZOCXBDSA-N 307.350 -0.338 30 20 DBED C=CCCCN1C[C@H](O)[C@H](NC(=O)c2cc(C(N)=O)ccn2)C1 1221202609 JIFODMRLLFFFIK-KGLIPLIRSA-N 318.377 -0.078 30 20 DBED COCC#CCN1CC[C@@H]2CN(C(=O)CN3CCOCC3)[C@@H]2C1 1221488032 YUMOXUUVJFMQQF-HZPDHXFCSA-N 321.421 -0.499 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)[C@@H]2C[C@@H]2OCC)CC1 1226227824 BLICDSMIYRWWGG-KGLIPLIRSA-N 307.394 -0.259 30 20 DBED C=C[C@](C)(O)CC(=O)NC1CCN(CCOCCO)CC1 1227123536 DOANKNHRFWMIMU-HNNXBMFYSA-N 300.399 -0.097 30 20 DBED N#CCNC(=O)CN1CCC(NC(=O)C23CCN(CC2)C3)CC1 1230047059 PSQCRHXJJQRMGM-UHFFFAOYSA-N 319.409 -0.697 30 20 DBED COCC#CCN1CC[C@H]1CN(C)C(=O)C[C@@H](C)NC(N)=O 1234277296 YSBMGGPTZJBNDG-OLZOCXBDSA-N 310.398 -0.384 30 20 DBED C=CCS(=O)(=O)CCNC(=O)NCc1nnc(C)n1C 1254477920 WOHDNGIJZWLAQA-UHFFFAOYSA-N 301.372 -0.476 30 20 DBED CC(C)[C@](C)(C#N)NC(=O)Cn1cnc2c(nnn2C)c1=O 1261480345 MWRFYFNDDCXXDS-ZDUSSCGKSA-N 303.326 -0.421 30 20 DBED CC(=O)N1CC[C@@H](NC(=O)C(=O)N2CCC[C@@H](CC#N)C2)C1 1261770535 VTYOPJHZWMXZAK-QWHCGFSZSA-N 306.366 -0.124 30 20 DBED N#C[C@H](C(=O)CCn1cccn1)C(=O)N1CCS(=O)(=O)CC1 1263290156 GCPSZZVZOBUARM-LLVKDONJSA-N 324.362 -0.761 30 20 DBED C#CCOCCNC(=O)C(=O)N[C@@H]1CCCN(C(=O)OC)C1 1323260105 DIFPSXBJIZZKDF-LLVKDONJSA-N 311.338 -0.901 30 20 DBED C#Cc1cccc(NC(=O)C(=O)Nc2ccn(CC(N)=O)n2)c1 1324171606 SZRQZPAPOFVGPL-UHFFFAOYSA-N 311.301 -0.073 30 20 DBED C[C@@H]1[C@@H](CO)CCCN1C(=O)C(=O)N1CC[C@](O)(CC#N)C1 1326545590 RGLLBHAGELGAKD-LALPHHSUSA-N 309.366 -0.517 30 20 DBED C#CC1CCN(C(=O)C(=O)N2CCC[C@@H](C(=O)NC)C2)CC1 1329454682 WSCFIEGPQRVCBM-CYBMUJFWSA-N 305.378 -0.157 30 20 DBED C#CCSCCNC(=O)N1CCC(C(=O)NCCO)CC1 1330255887 GBRLVYAIFQRQQT-UHFFFAOYSA-N 313.423 -0.117 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CC[C@@H](C)[C@H](CO)C2)nn1 1331085636 NQZOWDUUOIPZIV-NEPJUHHUSA-N 321.381 -0.443 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CC[C@H](C)[C@@H](CO)C2)nn1 1331085638 NQZOWDUUOIPZIV-NWDGAFQWSA-N 321.381 -0.443 30 20 DBED C[C@@H]1CCN1C(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1331522884 YEFZCGOHLUACEI-NPAAXYOMSA-N 306.322 -0.750 30 20 DBED C[C@H](NC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1)[C@@H]1CCOC1 1332466327 YSTZVFZAFNBHQY-OUCADQQQSA-N 320.393 -0.274 30 20 DBED C=CCN(C(=O)C(=O)N[C@@H]1CCCN(C)C1=O)[C@H](C)COC 1332480743 JCRLHGJSTKZFNP-VXGBXAGGSA-N 311.382 -0.227 30 20 DBED CC(=O)N1C[C@H]2CN(C(=O)C(=O)N(C)CC(C)(C)C#N)C[C@H]2C1 1338171608 GDJHLFFKISRDQX-BETUJISGSA-N 320.393 -0.069 30 20 DBED C=CCn1c(CCOC)nnc1N1CCO[C@@H](C(=O)NC)C1 1338749330 MQZAEEXAVMNNBF-LLVKDONJSA-N 309.370 -0.396 30 20 DBED CC(C)(C#N)CC(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1 1341917818 ZKSGXTNDHIVDTA-SNVBAGLBSA-N 311.363 -0.108 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCc1cn(CC)c(=O)nc1O 1349023386 YSJURIQTSCCKJE-LBPRGKRZSA-N 304.350 -0.317 30 20 DBED C[C@@H](C(=O)NC[C@H]1CCCS(=O)(=O)C1)n1cnc(C#N)n1 1361484099 ZQNHILBERFMCJZ-VHSXEESVSA-N 311.367 -0.348 30 20 DBED N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)[C@H]1CCCC(=O)N1 1363219491 OHISIUIBFZBZHB-SNVBAGLBSA-N 318.337 -0.275 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)NCc2ncc3c(n2)CCC3)CCO1 1364009230 ROTGYAYUQWZREX-LLVKDONJSA-N 323.378 -0.476 30 20 DBED CNC(=O)NCC(=O)N[C@H](CNC(=O)[C@@H](C)C#N)CC(C)C 1375828203 HRISWOBCKVCRHM-QWRGUYRKSA-N 311.386 -0.278 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CCN(C(=O)CCCS(C)(=O)=O)C1 1385617024 YBRPZJPKBMIJSK-GHMZBOCLSA-N 315.395 -0.312 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCNC(=O)Cc1nc(C2CC2)nn1C 1387779107 KGSICALDDYNBNK-JTQLQIEISA-N 318.381 -0.031 30 20 DBED CCCS(=O)(=O)CC(=O)N(C)CCN(C)C(=O)[C@H](C)C#N 1388996519 IQKFOXKDRSWYKE-LLVKDONJSA-N 317.411 -0.112 30 20 DBED CNC(=O)c1cccc(C(=O)N2CC(NC(=O)[C@@H](C)C#N)C2)n1 1389405596 HFEQOAGXLCLSKL-VIFPVBQESA-N 315.333 -0.459 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)c2cnc3[nH]nnc3c2)CC1 1389872146 TXMLPCFYWRQKRF-MRVPVSSYSA-N 313.321 -0.109 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](C)CNC(=O)Cn1cc(C2CC2)nn1 1392568543 CWCSBWXEAINTKM-VHSXEESVSA-N 304.354 -0.064 30 20 DBED C[C@@H](CNC(=O)c1ccc(C#N)[nH]1)NC(=O)c1cn(C)nn1 1397410428 JPPFUTDGIMUONJ-QMMMGPOBSA-N 301.310 -0.437 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](NC(=O)CCNC(N)=O)C1CCCC1 1410949718 BIPZTKSDPFGWIW-PWSUYJOCSA-N 323.397 -0.004 30 20 DBED Cc1nn(CCC#N)c(C)c1CCC(=O)NC[C@@H](O)C(N)=O 1412090080 IOWVXRYSBWWYDF-GFCCVEGCSA-N 307.354 -0.691 30 20 DBED CC[C@H](CNC(=O)c1cccc(C(N)=O)n1)NC(=O)[C@H](C)C#N 1416242018 NDUNYBVCILVLQK-NXEZZACHSA-N 317.349 -0.035 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)CCc2cccnc2)C1 1426661314 WXOILWQJDZAARN-YUTCNCBUSA-N 316.361 -0.138 30 20 DBED C[C@@H](C#N)C(=O)NC1CN(C(=O)[C@@H](C)CS(C)(=O)=O)C1 1430290341 LCTVHKDJOTZDDC-IUCAKERBSA-N 301.368 -0.846 30 20 DBED CC(=O)N(C)CC(=O)NC[C@@H]1CCN1C(=O)c1cc(C#N)c[nH]1 1433678047 CACJZTQPVZDMIA-LBPRGKRZSA-N 317.349 -0.305 30 20 DBED Cn1cncc1C(=O)NC[C@H](O)CNC(=O)c1cc(C#N)c[nH]1 1452333540 PKVFVNVCLRXQLS-SNVBAGLBSA-N 316.321 -0.859 30 20 DBED C[C@H](C#N)C(=O)NC1CCN(C(=O)CN2CCOCC2)CC1 1453750129 GTQCIVQBWOAMOO-GFCCVEGCSA-N 308.382 -0.415 30 20 DBED CC(C)S(=O)(=O)CC(=O)N1CC[C@@H](NC(=O)[C@@H](C)C#N)C1 1454048724 RBIGWXIJAFUXFX-WDEREUQCSA-N 315.395 -0.314 30 20 DBED CCC(=O)N1CC[C@@H](C(=O)N2CC(NC(=O)[C@H](C)C#N)C2)C1 1456399861 WPYGENURCKMHAH-GHMZBOCLSA-N 306.366 -0.268 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@H]1CCCN1C(=O)CCN(C)C 1495575885 IVIJSXHDCJINQT-ZIAGYGMSSA-N 308.426 -0.343 30 20 DBED C[C@H](CNC(=O)NC1CCN(CC#N)CC1)N1CCN(C)CC1 1528246931 SJFPJWSBDOAKMK-CQSZACIVSA-N 322.457 -0.091 30 20 DBED C[C@H](C#N)C(=O)NC[C@]1(C)CCN(C(=O)CN2CCOCC2)C1 1536993300 XKEYCIMWSRULFO-CJNGLKHVSA-N 322.409 -0.167 30 20 DBED CN(CCNC(=O)CCOCc1cnn[nH]1)C(=O)C#CC1CC1 1576825246 YOEKPUVFXYQSRM-UHFFFAOYSA-N 319.365 -0.301 30 20 DBED CNC[C@@H](O)[C@H](C)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 1578640183 GDCDKGLMOOJVDU-GXTWGEPZSA-N 317.393 -0.182 30 20 DBED C#C[C@@H](CO)NC(=O)COc1ccc(-c2nn[nH]n2)cc1OC 1588327702 OXKIFUJXRJYDCQ-JTQLQIEISA-N 317.305 -0.636 30 20 DBED C#CCN(CC(=O)O)c1nnc(C[C@H](C)O)n1C[C@H]1CCOC1 1588427337 UOOPIJXPHAEJOI-NWDGAFQWSA-N 322.365 -0.238 30 20 DBED C#CCN1CCC[C@@H](NC(=O)N2CCN(C)C[C@H](C(=O)O)C2)C1 1588475891 ITNIBLKQFIQKDG-UONOGXRCSA-N 322.409 -0.258 30 20 DBED COc1cc(C(=O)N[C@@H]2CNC[C@@H]2C#N)ccc1-c1nn[nH]n1 1591512106 QUYPUDDZUIYGHR-GXSJLCMTSA-N 313.321 -0.283 30 20 DBED Cn1cc(CCC(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[nH]2)cn1 1592568471 GGLNHPSZIGSTFX-UHFFFAOYSA-N 312.297 -0.234 30 20 DBED N#CCNC(=O)CNC(=O)C(=O)Nc1ccsc1C(=O)O 1601074683 MHEHALYMSXNBRQ-UHFFFAOYSA-N 310.291 -0.859 30 20 DBED CN(C(=O)c1cc(-c2nn[nH]n2)c[nH]1)[C@H]1CCN(CC#N)C1 1604650566 LVVRJFUNVWXCFF-JTQLQIEISA-N 300.326 -0.135 30 20 DBED C[C@@H]1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)[C@@H](C(=O)O)C1 1604757315 MSLUENQANUNODY-GMTAPVOTSA-N 317.367 -0.359 30 20 DBED C[C@@H](C(=O)N1CCC([C@@H](O)C(=O)O)CC1)n1cnc(C#N)n1 1609633179 TWBITQWLSKVMQF-GZMMTYOYSA-N 307.310 -0.605 30 20 DBED CCN(CCC#N)C(=O)COC(=O)COCc1nncn1C 1647210037 PSXFYEKTXCYALI-UHFFFAOYSA-N 309.326 -0.363 30 20 DBED Cc1nn(C)c(C)c1NC(=O)Cn1c(=O)[nH]cc(C#N)c1=O 1649847959 FNBTUWKQAQHHSZ-UHFFFAOYSA-N 302.294 -0.603 30 20 DBED C#CCNC(=O)CN1CCC2(CC1)C[C@@H]2NC(=O)[C@@H](C)OC 1752416411 OGUOBFMFSGWKBV-OLZOCXBDSA-N 307.394 -0.259 30 20 DBED C#CCNC(=O)CN[C@@H](CNC(=O)c1n[nH]c(C)c1O)C1CC1 1752453867 GFTGKTYAFGXHOP-NSHDSACASA-N 319.365 -0.729 30 20 DBED CCc1cc(C(=O)NC[C@H](C)NCC(=O)NCC#N)n(C)n1 1752909338 KUVRWCYDFMAAJK-JTQLQIEISA-N 306.370 -0.670 30 20 DBED C=CCNCCNC(=O)[C@H]1CCCN(C(=O)c2cnnn2C)C1 1752926581 UHSQNHKKHWSZFN-LBPRGKRZSA-N 320.397 -0.441 30 20 DBED C#CCNC(=O)CNC[C@H]1CCN(C(=O)c2cccnn2)C1 1752954293 RKUFMPXBMIAXEZ-GFCCVEGCSA-N 301.350 -0.722 30 20 DBED CC#CCN(C)[C@@H]1CCCN(C(=O)Cn2c(O)nnc2O)C1 1752997734 SVOXWJOQYDSTAB-LLVKDONJSA-N 307.354 -0.365 30 20 DBED COCC#CCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C(N)=O)[nH]1 1753425009 LVHBDQIOCLFCQE-RYUDHWBXSA-N 316.361 -0.338 30 20 DBED C=CCCN1CCO[C@H](CNC(=O)CN2C(=O)CCC2=O)C1 1753658417 RCSRGNTUXJJENO-GFCCVEGCSA-N 309.366 -0.472 30 20 DBED C=CCCNC[C@H](C)N(C)C(=O)c1cn(C)c(=O)n(C)c1=O 1753730375 WFKRNABJHRDXCC-NSHDSACASA-N 308.382 -0.290 30 20 DBED C#CCCCC(=O)N1CC[C@H]2[C@H](CCN2CC(=O)NC(N)=O)C1 1753873231 VFIRMGOCHJLHRB-OLZOCXBDSA-N 320.393 -0.092 30 20 DBED C=CCNC(=O)CNCC[C@@H](C)NC(=O)c1cccc(=O)n1C 1753998617 UXEAYPAIYDXQSB-GFCCVEGCSA-N 320.393 -0.215 30 20 DBED C=CCNC(=O)CNC/C=C/CNC(=O)[C@@H]1CCNC(=O)CC1 1754153412 GGXQZRYQYIVJMS-OOPCZODUSA-N 322.409 -0.533 30 20 DBED N#CCSCC(=O)NC[C@H]1CCN1C[C@@H](O)Cn1cccn1 1754473763 PTXXHNMLKWTNOG-CHWSQXEVSA-N 323.422 -0.309 30 20 DBED C=CCNC(=O)CN1CC[C@@H]1CNC(=O)CCc1ncccn1 1754496525 GJVQLDGQFCBTDJ-CYBMUJFWSA-N 317.393 -0.098 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(Cc2cc(C)on2)C1 1754767603 UAOONVDTIPSWRX-GFCCVEGCSA-N 307.350 -0.316 30 20 DBED C[C@@H](NCC#N)[C@@H]1CCN(C(=O)C(C)(C)NS(C)(=O)=O)C1 1754804730 SXGMIVXNPZVHFI-GHMZBOCLSA-N 316.427 -0.336 30 20 DBED CCC(=O)N1CC[C@H](C(=O)N2CCO[C@H](CNCC#N)C2)C1 1755011926 DSMZQOSJIBOYMZ-QWHCGFSZSA-N 308.382 -0.415 30 20 DBED C=CCCN1CC(CCO)(NC(=O)C[C@H]2CCN(C)C2=O)C1 1755333031 URKLPCQMMCACNR-CYBMUJFWSA-N 309.410 -0.016 30 20 DBED O=C(NC[C@H](CO)NCC#Cc1ccc(F)cc1)c1cnn[nH]1 1755644529 YUASNIYYWALWLW-CYBMUJFWSA-N 317.324 -0.324 30 20 DBED C=CCCC(=O)NC[C@H](O)CN(C)C(=O)[C@@H]1CC(=O)N(C)C1 1756666588 BZHQTDLRCJDLQP-NEPJUHHUSA-N 311.382 -0.634 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CN(C(=O)[C@H]2CCCOCC2)C[C@@H]1O 1757171352 PCVLGSDVYRCPDR-ZNMIVQPWSA-N 320.389 -0.096 30 20 DBED C[C@H](NC(=O)C(C)(C)C#N)C(=O)N1CCS(=O)(=O)CC1 1771601347 ZGMLOHAWNYXGCP-VIFPVBQESA-N 301.368 -0.702 30 20 DBED C=CCC(=O)N1CC[C@]2(C1)CN(C(=O)CNC(N)=O)CCO2 1783923973 MHICJCUCAREKKP-AWEZNQCLSA-N 310.354 -0.939 30 20 DBED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)N(C)CC)C[C@@H]21 1790794031 VVWVDGZNFPZISJ-QPSCCSFWSA-N 321.421 -0.061 30 20 DBED N#CC1(C(=O)N2CCCC23CN(C(=O)CCC(N)=O)C3)CC1 1842809668 LPRJCCLXKZFKQB-UHFFFAOYSA-N 304.350 -0.241 30 20 DBED O=C(O)C#CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CCCCO1 1847315898 PNVKDVLDOPOZBP-AVGNSLFASA-N 320.345 -0.155 30 20 DBED CN(CCC#N)S(=O)(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 49336305 YDYNDRMAPMPCOR-SNVBAGLBSA-N 324.428 -0.910 30 20 DBED C=CCN(CC(=O)NC(=O)NCCC)[C@H]1CCS(=O)(=O)C1 66559742 RVWNODZMIPWLGQ-NSHDSACASA-N 317.411 -0.103 30 20 DBED C#CCNCC(=O)N1CCCC[C@@H]1CCNS(C)(=O)=O 92492962 UZIWENDDSHRXNL-GFCCVEGCSA-N 301.412 -0.470 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(Cc2noc(CC)n2)c1=O 103259267 NQOVBCKGNGUGGX-UHFFFAOYSA-N 319.321 -0.463 30 20 DBED C[C@@H](CC#N)N(C)CC(=O)NCCCN(C)S(C)(=O)=O 161921541 VRNUBIQIRQJGMS-NSHDSACASA-N 304.416 -0.382 30 20 DBED C#CCN1CCC(C(=O)N[C@@H]2CC(=O)N(C(C)C)C2=O)CC1 177578499 JRQXDIMTGZNALG-CYBMUJFWSA-N 305.378 -0.016 30 20 DBED CN(CCc1ccccn1)C(=O)C/N=C(/N)N1CCOCC1 262013570 VBDAWSHJOHVPLU-UHFFFAOYSA-N 305.382 -0.271 30 20 DBED N#CCN1CCN(C(=O)COc2ccc(C(N)=O)cc2)CC1 266666095 IFNDAFRJLMLNBO-UHFFFAOYSA-N 302.334 -0.168 30 20 DBED N#Cc1ncccc1S(=O)(=O)NC[C@@H]1CN2CCN1CC2 277188324 OLELVGFSFRRBMQ-LLVKDONJSA-N 307.379 -0.769 30 20 DBED C=CCN1CC[C@H](N(C)S(=O)(=O)[C@H](C)C(=O)N(C)C)C1=O 281611734 SRLUQDXNPRTZOM-MNOVXSKESA-N 317.411 -0.488 30 20 DBED Cc1nc2n(n1)C[C@H](NS(=O)(=O)N(C)C[C@H](C)C#N)CC2 282792369 XSYOMZRQUGISSD-MWLCHTKSSA-N 312.399 -0.173 30 20 DBED C=CCC[C@H](CO)NS(=O)(=O)c1cnn(CC(=O)O)c1 321071323 FYQWJLSUMSZZQH-SECBINFHSA-N 303.340 -0.427 30 20 DBED CN1C[C@H](/C(O)=N/C[C@H]2CCN(S(C)(=O)=O)C2)CC1=O 328834376 WPYUBNZZMUIMEP-NXEZZACHSA-N 303.384 -0.297 30 20 DBED CN1CCO[C@@H]2CN(/C(O)=N/CCn3ccccc3=O)C[C@H]21 328843166 WBVCGDKCJXBSNB-CHWSQXEVSA-N 306.366 -0.223 30 20 DBED C[C@H]1CN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC[S@](=O)C1 330337878 UONLRNRWTQTBFQ-FPVGNUTFSA-N 310.379 -0.840 30 20 DBED COCC(=O)NC1CN(S(=O)(=O)c2ccc(C#N)s2)C1 331600006 VKXRNTVIUPSYKY-UHFFFAOYSA-N 315.376 -0.245 30 20 DBED CC#CCNC(=O)Cn1c(=O)oc2cc(S(N)(=O)=O)ccc21 342835880 YTABENYVCUKZCI-UHFFFAOYSA-N 323.330 -0.619 30 20 DBED C=CCNC(=O)Cn1cnc2c(cnn2CC(=O)OC)c1=O 344712534 KBYTUXSLHQRJLS-UHFFFAOYSA-N 305.294 -0.932 30 20 DBED C=CCOCCCN(C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 348056843 OIPSLUXEXNJNFG-GFCCVEGCSA-N 304.412 -0.186 30 20 DBED N#CCCNC(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2CN)C1=O 388093703 UFLMGIWKMQFSGO-QMTHXVAHSA-N 307.354 -0.544 30 20 DBED CC[C@@H](C#N)NC(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 475691703 XFVHDGNOMDDTOX-MMUTTWDGSA-N 305.334 -0.043 30 20 DBED C#CCNC(=O)C1CCN(CN2C[C@H](C(=O)OC)CC2=O)CC1 491118293 BWGBQAXSRUHBEA-CYBMUJFWSA-N 321.377 -0.573 30 20 DBED N#Cc1ccc(NC(=O)C(=O)N2CCN3C(=O)OC[C@@H]3C2)nc1 495600526 GYXLUVONUDPCNH-JTQLQIEISA-N 315.289 -0.445 30 20 DBED COCCNC(=O)Cn1cc(NC(=O)NC[C@H](C)C#N)cn1 532050789 BUKPAAYZYOXPIL-SNVBAGLBSA-N 308.342 -0.073 30 20 DBED C[C@H](CNC(=O)C(=O)NCc1cccc(C#N)c1)S(C)(=O)=O 556039582 XIYFBVRKXTXKCE-SNVBAGLBSA-N 323.374 -0.276 30 20 DBED N#CCCn1ccc(NC(=O)[C@@H]2CCc3nnnn3CC2)n1 574920391 JPZNRSLWBFOVAG-SNVBAGLBSA-N 300.326 0.374 30 20 DBED CO[C@H]1CN(C(=O)C(=O)Nc2cccc(C#N)n2)C[C@H]1OC 580891947 SWQZAWVPZHFJHM-PHIMTYICSA-N 304.306 -0.236 30 20 DBED N#Cc1cc(F)ccc1CS(=O)(=O)N[C@H](CO)C(=O)O 583207480 RLAMLHORLOFZHX-SNVBAGLBSA-N 302.283 -0.438 30 20 DBED C[C@@H]1CN(CCNS(=O)(=O)c2cccnc2C#N)CCO1 583541729 JFWSZIFDEUMUPE-LLVKDONJSA-N 310.379 -0.048 30 20 DBED CN(C(=O)[C@@H]1CCCN(S(N)(=O)=O)C1)C1(C#N)CCC1 596910438 FSQIZFHJAJSWRO-SNVBAGLBSA-N 300.384 -0.193 30 20 DBED CO[C@H]1CCC[C@@H]1CNC(=O)C(=O)N1CCN(CCC#N)CC1 602245463 NKZLZNBDLBZGRH-KGLIPLIRSA-N 322.409 -0.024 30 20 DBED CC#CCNCc1cn(C[C@H](O)COC[C@H]2CCCO2)nn1 641193682 RSMPDCGQSDEKPV-LSDHHAIUSA-N 308.382 -0.053 30 20 DBED C=CCCn1cc(CN[C@H]2CS(=O)(=O)C[C@H]2OC)nn1 657603154 IRIUNRQDBSRRJX-NWDGAFQWSA-N 300.384 -0.244 30 20 DBED C=C[C@@](C)(O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 668860465 KDYLPCNMWUOHDN-CQSZACIVSA-N 308.338 -0.383 30 20 DBED CNS(=O)(=O)c1cccc(C(=O)N(CC#N)CC(=O)O)c1 737557003 GFNQWLDFOWXSPF-UHFFFAOYSA-N 311.319 -0.355 30 20 DBED CN1C(=O)CC[C@H]1C(=O)OCC(=O)N(CCC#N)CCC#N 752030536 RPQDZJBNRAAMIE-NSHDSACASA-N 306.322 -0.194 30 20 DBED C[C@@H]1CC(=NC(=O)CN(C)S(=O)(=O)c2cccnc2)NO1 765378261 YTDHDCGQBLUTEF-SECBINFHSA-N 312.351 -0.059 30 20 DBED C#CCNS(=O)(=O)N1CCN(C[C@@H]2CC[C@H](C)O2)CC1 789355598 GHVNPLIZTLXJAJ-STQMWFEESA-N 301.412 -0.361 30 20 DBED N#CC1(CS(=O)(=O)NC(=O)CN2CCSC2=O)CC1 793196320 GXNHRTUYCZLUMK-UHFFFAOYSA-N 303.365 -0.095 30 20 DBED C#CCn1c(=C(C#N)C#N)sc(=Cc2c(C)cnn2C)c1=O 795197691 QCIZZXREWVWMSM-UHFFFAOYSA-N 309.354 -0.388 30 20 DBED C#C[C@H](NC(=O)C(=O)NCC1([S@@](C)=O)CC1)[C@H]1CCCO1 809313767 XLGRKEJGNOTHOX-WIFINTHYSA-N 312.391 -0.689 30 20 DBED CC(C)Cn1ncnc1Cn1c(N)nc(-c2nn[nH]n2)c1C#N 824284635 KQDMRAZSJYYTJU-UHFFFAOYSA-N 313.329 -0.187 30 20 DBED N#C[C@H]1CN(C(=O)[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CCO1 826380656 ISOOUPZOVRSRBS-RYUDHWBXSA-N 314.305 -0.349 30 20 DBED N#C[C@H]1CN(C(=O)CNc2ccc(-c3nn[nH]n3)cn2)CCO1 826380691 JRJLCCFDODWNFC-JTQLQIEISA-N 314.309 -0.575 30 20 DBED C#C[C@@H](CCC)NC(=O)C(=O)c1cc(S(N)(=O)=O)cn1C 834364313 XHWOARQZBFGAJB-VIFPVBQESA-N 311.363 -0.227 30 20 DBED N#C[C@@H]1CNC[C@@H]1NC(=O)[C@H]1COCCN1CC(F)(F)F 834506108 PVQVJSYSAAJEEB-KXUCPTDWSA-N 306.288 -0.523 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N1C[C@H](C)O[C@H](CO)C1 850712985 YZVPSXASKGZHPZ-STQMWFEESA-N 312.366 -0.907 30 20 DBED C#CC[C@@H](CO)NC(=O)CCC(C)(C)C(=O)N[C@H](CO)CC#C 854545116 AMNIQWOUHQQAJG-KBPBESRZSA-N 322.405 -0.206 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@@H](C)C(=O)N(C)OC 859402875 JCRQRHDUZZCOPQ-UWVGGRQHSA-N 306.388 -0.289 30 20 DBED C#Cc1cccc(CNC(=O)C(=O)N(C)CCOCCN)c1 861732606 NVUZVPYCFYLQFT-UHFFFAOYSA-N 303.362 -0.282 30 20 DBED C#CC1(O)CN(C(=O)c2ccc(OCC(=O)NC)c(OC)c2)C1 890521832 VWZSQNIQVBYDOL-UHFFFAOYSA-N 318.329 -0.360 30 20 DBED CC#CC[C@H](CO)NC(=O)NCCS(=O)(=O)N1CCCC1 897944051 GDCGVRDLRSULJQ-GFCCVEGCSA-N 317.411 -0.515 30 20 DBED C=CCN(C(=O)[C@@H]1OCCN(C)C1=O)[C@@H]1CCS(=O)(=O)C1 900310973 VYNPAISVKZYAEU-GHMZBOCLSA-N 316.379 -0.955 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)Cc3nc[nH]n3)C2)cn1 936165658 POOAKEVQNJCPKZ-CYBMUJFWSA-N 324.344 -0.246 30 20 DBED Cc1ccc(=O)n(CC(=O)N[C@H]2CCN(C(=O)[C@H](C)C#N)C2)n1 938381942 SQDIMKDAZNPABF-PWSUYJOCSA-N 317.349 -0.572 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)[C@H]3CCC(=O)N3)C2)[nH]1 940061215 XPZNXWWWWTVZHF-ZYHUDNBSSA-N 315.333 -0.504 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](NC(=O)c2ccc(C(N)=O)nc2)C1 941310198 XTNTYWXWWAPJSN-MWLCHTKSSA-N 315.333 -0.329 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2CCN(C(=O)Cn3nccn3)C2)c1 942370226 JEVOWTOMRXGBNR-CQSZACIVSA-N 324.344 -0.315 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1 942447186 CRXOXTYTQSUBKD-NDBYEHHHSA-N 321.377 -0.427 30 20 DBED Cc1ncn(C)c1C(=O)NC[C@H]1CN(C(=O)[C@H](C)C#N)CCO1 944635262 MTQYCDYEEUVMGG-PWSUYJOCSA-N 319.365 -0.155 30 20 DBED C[C@@H]1CN(C(=O)C(N)=O)CC[C@H]1NC(=O)c1c[nH]c(C#N)c1 945485159 QZUGNGDVRYFMJW-LDYMZIIASA-N 303.322 -0.662 30 20 DBED O=C(NC[C@H]1CCN1C(=O)C#CC1CC1)c1cccn2nnnc12 950163300 SUCKWCGCPIVPCM-GFCCVEGCSA-N 324.344 -0.132 30 20 DBED C#Cc1ccccc1CC(=O)N[C@H]1CCCN(C(=O)C(N)=O)C1 951854358 VVFMKVSKAVTBTK-AWEZNQCLSA-N 313.357 -0.197 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H](NC(=O)c2ccc(C(N)=O)[nH]2)C1 951872057 GFRSUDUSZIUNPJ-UWVGGRQHSA-N 317.349 -0.006 30 20 DBED C[C@H](C#N)C(=O)N1CC(N(C)C(=O)C[C@H]2CCC(=O)N2C)C1 954950221 VQXXNZBOOUZWTK-GHMZBOCLSA-N 306.366 -0.174 30 20 DBED CC1(NC(=O)[C@@H]2CNC(=O)N2)CCN(C(=O)C#CC2CC2)CC1 956472045 FOWDONJHVJQKLM-LBPRGKRZSA-N 318.377 -0.422 30 20 DBED C#CCOc1ncccc1C(=O)N1CCN([C@H](C)C(N)=O)CC1 957375098 BAZALDLGADNMEF-GFCCVEGCSA-N 316.361 -0.275 30 20 DBED CCc1cc(C(=O)NC[C@@H]2CN(CC#N)C[C@H]2O)c(C)nn1 958283248 JAXBGUVDVXCRSL-BXUZGUMPSA-N 303.366 -0.107 30 20 DBED C#CCCN1C[C@H](O)[C@H](CNC(=O)c2ccc(=O)n(CC)n2)C1 958494328 OEQGLZMFTZHYFL-OCCSQVGLSA-N 318.377 -0.691 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2[C@@H]3CN([C@H](C)C(=O)NC)C[C@@H]32)nc1 962343353 OWDQKPGPDDBBGR-PBOSXPJTSA-N 312.373 -0.143 30 20 DBED CCN(C(=O)c1cnc(O)n1C)C1CN(C(=O)[C@H](C)C#N)C1 968226301 LLEYXDPVNYAEKM-SECBINFHSA-N 305.338 -0.042 30 20 DBED C=CCCn1cc(C(=O)N[C@H](C)C2CN([C@@H](C)C(N)=O)C2)nn1 970553414 WFWXPRQBLIFJOP-MNOVXSKESA-N 320.397 -0.222 30 20 DBED C#CCN1CC([C@@H](C)NC(=O)c2nc(O)nc(O)c2OC)C1 970735001 KIGMAHCYWQGDDC-MRVPVSSYSA-N 306.322 -0.420 30 20 DBED C#Cc1ccc(C(=O)N[C@@H](C)C2CN([C@H](C)C(N)=O)C2)cn1 970753916 NOIGLBVLITWNQF-WDEREUQCSA-N 300.362 -0.013 30 20 DBED COc1c(C(=O)N2CC[C@@]3(CN(CC#N)CCO3)C2)cnn1C 972654282 OEAMSSHHAGWMPJ-OAHLLOKOSA-N 319.365 -0.131 30 20 DBED N#Cc1cc(C(=O)NC[C@H]2CC[C@@H](NC(=O)C(N)=O)C2)c[nH]1 981195707 YMVKMSKFCWUMMO-WCBMZHEXSA-N 303.322 -0.614 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H](N(C)C(=O)Cn2cnnn2)C1 984589409 UGQDFIUQFHGNBZ-QWRGUYRKSA-N 305.342 -0.718 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CN(C(=O)c3ncn(C)n3)C[C@@]2(C)C1 993344737 PLXYQCCLFJPNQP-JRPNMDOOSA-N 316.365 -0.105 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN(C(=O)c2cncn2C)C1 994750829 DCZWXQDEGFWBJJ-ZDUSSCGKSA-N 315.377 -0.542 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)[C@@H]3CCNC3=O)C2)cc1 997336321 BWXUXSBCMXSTPN-CQSZACIVSA-N 311.341 -0.255 30 20 DBED COc1nn(C)cc1C(=O)NC1CN(C(=O)C#CC2CC2)C1 997375569 QPESEJREFKZGAY-UHFFFAOYSA-N 302.334 -0.217 30 20 DBED CC(=O)N1CCC(=O)NCCN(C(=O)c2c[nH]c(C#N)c2)CC1 1001699182 MGZCKWFCYMGVCZ-UHFFFAOYSA-N 317.349 -0.303 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCC1CN(C(=O)c2ncc[nH]2)C1 1002825308 BFPABPORRHWYNU-ZDUSSCGKSA-N 315.377 -0.305 30 20 DBED N#CCN1CCC(NC(=O)[C@@H]2CCc3nnnn3CC2)CC1 1003663517 NVOFPDRIVHPORJ-LLVKDONJSA-N 303.370 -0.270 30 20 DBED C=CC(C)(C)C(=O)N1CCN(C(=O)Cn2c(O)nnc2O)CC1 1011852000 OEKXNKZTKOYTOV-UHFFFAOYSA-N 323.353 -0.428 30 20 DBED C#CCN1CC[C@H]2[C@@H](CCCN2C(=O)c2nnc(O)nc2O)C1 1021624838 ZFSMOQORTHYDOE-QWRGUYRKSA-N 317.349 -0.158 30 20 DBED CCCc1cc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2O)n[nH]1 1024974119 AYSOFCDXCKZTHG-OASPWFOLSA-N 319.365 -0.177 30 20 DBED C=C(C)CN[C@@H]1CC[C@H]2CN(C(=O)Cn3ncn(C)c3=O)C[C@H]21 1026297480 DTLRSKMSPCWDTM-BFHYXJOUSA-N 319.409 -0.016 30 20 DBED C#CCN[C@@H]1CC[C@@H]2CN(C(=O)Cn3nc(C)n(C)c3=O)C[C@@H]21 1026408880 HDSNHWMFEGQXST-HZSPNIEDSA-N 317.393 -0.650 30 20 DBED CN(CC#N)[C@H]1CCCN(C(=O)[C@@H]2CCc3nnc(O)n3C2)C1 1027470321 KZDQZJOGFLTNIQ-NEPJUHHUSA-N 318.381 -0.008 30 20 DBED C#CCN1CC[C@@H](CNC(=O)c2coc(S(N)(=O)=O)c2)C1 1028636981 KEMUZUWBTHIMRP-JTQLQIEISA-N 311.363 -0.388 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)[C@H]3CCNC(=O)C3)C2)C1=O 1030213977 GUPJWWRUOHJTEX-WCQYABFASA-N 320.393 -0.900 30 20 DBED C=C(C)CCN1CC(CNC(=O)C2CC3(C2)NC(=O)NC3=O)C1 1032047589 IJQYLQZQYFYYHP-UHFFFAOYSA-N 320.393 -0.011 30 20 DBED C#CCOc1ncccc1C(=O)NCC1CN([C@@H](C)C(N)=O)C1 1032136097 BURXNGCYVFPCTF-NSHDSACASA-N 316.361 -0.371 30 20 DBED C#Cc1ccc(C(=O)NCC2CN([C@H]3CCN(C)C3=O)C2)cn1 1032138350 XUECDBXLQKIFSC-HNNXBMFYSA-N 312.373 -0.045 30 20 DBED C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(=O)n2[nH]cnc2n1 1032730763 PGLNCNIYTWPYQH-QWRGUYRKSA-N 312.333 -0.660 30 20 DBED C#CCN1CC[C@H](N(C)C(=O)c2coc(S(N)(=O)=O)c2)C1 1033205019 BHMYVPNFXQESHU-NSHDSACASA-N 311.363 -0.294 30 20 DBED C=CCn1cc(C(=O)N(CC)[C@@H]2CCN([C@H](C)C(N)=O)C2)nn1 1033980167 QBQZJDAMZQFNIZ-VXGBXAGGSA-N 320.397 -0.126 30 20 DBED C#CCN1CCO[C@H](CNC(=O)c2ccn(CCN(C)C)n2)C1 1035370629 OCUHMFUOWQMKPM-CQSZACIVSA-N 319.409 -0.492 30 20 DBED CC#CCN1CCO[C@H](CNC(=O)[C@@H]2CCCCN2C(N)=O)C1 1035570480 AJZUKACVSIYCJI-KGLIPLIRSA-N 322.409 -0.240 30 20 DBED C#CCN[C@@H]1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)C[C@@H]1C 1036057575 NBLPJTQWTUPASX-QWHCGFSZSA-N 318.377 -0.993 30 20 DBED C#CCN[C@H]1CCN(C(=O)CN2C(=O)NC(=O)C2(C)C)C[C@H]1C 1036247283 MVMWQDLBWHPJDU-NEPJUHHUSA-N 320.393 -0.223 30 20 DBED C#CCCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1ccc(S(N)(=O)=O)o1 1037490836 RXHPYEYIBUGQRJ-GBIKHYSHSA-N 323.374 -0.247 30 20 DBED C#CCOc1ncccc1C(=O)NC[C@@H]1CCN1CC(=O)NC 1038928436 QTXOEKNWJNJRCN-LBPRGKRZSA-N 316.361 -0.356 30 20 DBED C=CCCN1CC[C@H]1CNC(=O)c1cn(CC(=O)N(C)C)nn1 1039052815 NYEICQJRIMVJTK-LBPRGKRZSA-N 320.397 -0.254 30 20 DBED C#CCCCC(=O)NC[C@]1(O)CCN(C(=O)c2cccnn2)C1 1039572568 ABEBKIGFNDLLPF-MRXNPFEDSA-N 316.361 -0.027 30 20 DBED C=CCCOCC(=O)NC[C@]1(O)CCN(C(=O)c2ncc[nH]2)C1 1040161505 NGDZDPOMOYJHEG-OAHLLOKOSA-N 322.365 -0.304 30 20 DBED C#CCCCC(=O)N1CC[C@](O)(CNC(=O)c2cncn2C)C1 1040234659 JBPILDHHRWHVAL-INIZCTEOSA-N 318.377 -0.083 30 20 DBED N#CCSCC(=O)N1CC[C@](O)(CNC(=O)c2cnco2)C1 1040385614 APFKHZQERXVMNQ-ZDUSSCGKSA-N 324.362 -0.375 30 20 DBED C[C@@H]1CN(C(=O)C(N)=O)CC[C@@H]1CNc1cnc(C#N)cn1 1040441687 KRAFOWGIXAEUHH-NXEZZACHSA-N 302.338 -0.270 30 20 DBED C=CCCC(=O)N1CC[C@@](O)(CNC(=O)c2[nH]nnc2C)C1 1040466930 KWTZAKANIUWZEK-CQSZACIVSA-N 307.354 -0.227 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)CC2(O)CCC2)C1 1040764071 UDFJTJAMJNIIFM-NHYWBVRUSA-N 309.366 -0.469 30 20 DBED C#CCCCCC(=O)N1CC(O)(CNC(=O)[C@@H](C)NC(C)=O)C1 1041335362 IOBXBUYZFBXSSR-GFCCVEGCSA-N 323.393 -0.606 30 20 DBED C[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1NC(=O)c1nccnc1N 1041805275 PYGCOPSUTKFACF-MWLCHTKSSA-N 324.348 -0.025 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)c2cnc(C)cn2)C1 1042035013 HBKLAVSXQGITIA-UHFFFAOYSA-N 320.349 -0.709 30 20 DBED CCc1nc(C(=O)NCC2(O)CN(C(=O)C#CC3CC3)C2)co1 1042697472 GPRZZCGXIVEVTH-UHFFFAOYSA-N 317.345 -0.047 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)Cc2ccoc2)C1 1042731959 IPWNQINTSYNOGV-UHFFFAOYSA-N 308.334 -0.286 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)c2ccc[nH]2)C1 1043035689 BAUAGDGLXMLKAH-LLVKDONJSA-N 305.334 -0.644 30 20 DBED Cc1ncccc1C(=O)NCC1(O)CN(C(=O)[C@@H](C)C#N)C1 1044751361 NHUUYSIXKGRXMY-JTQLQIEISA-N 302.334 -0.147 30 20 DBED Cc1nc[nH]c1CC(=O)N1CC(O)(CNC(=O)[C@H](C)C#N)C1 1045547197 WYJDVDVRGRQURP-SECBINFHSA-N 305.338 -0.890 30 20 DBED Cc1nc(C(=O)N2CC(O)(CNC(=O)[C@H](C)C#N)C2)cs1 1045564833 NQEABMPFKZNOOK-MRVPVSSYSA-N 308.363 -0.086 30 20 DBED C#CCN1CC[C@H](N2CCN(C(=O)Cc3nonc3C)CC2)C1 1046073700 JYQCHTAZHIXMCS-AWEZNQCLSA-N 317.393 -0.228 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]nc2[C@H]2CCOC2)C1 1047471983 UXMHRMYYVRJPER-UBHSHLNASA-N 318.377 -0.336 30 20 DBED N#CCN1[C@H]2CC[C@@H]1C[C@H](CNC(=O)c1nnc(O)nc1O)C2 1048543439 ZMFHZMUWMRJVHM-ILWJIGKKSA-N 318.337 -0.221 30 20 DBED CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1ncn(C)c1=O 1049562269 VJMJFWSVHOMZSJ-UONOGXRCSA-N 317.393 -0.330 30 20 DBED N#CCN1CCOC[C@@H]1CNC(=O)c1cc(C(N)=O)ccn1 1051273564 QIZKXSJJDWHEAC-NSHDSACASA-N 303.322 -0.865 30 20 DBED C#CCCN1CCN([C@@H]2CCN(C(=O)Cn3nccn3)C2)CC1 1052033883 WTPHDYSXQQMCJA-OAHLLOKOSA-N 316.409 -0.480 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)[C@H](C)N3CCCCC3=O)CO2)C1 1054016667 HNXMPWBWKBENBU-KBPBESRZSA-N 319.405 -0.020 30 20 DBED C[C@@]1(C(=O)N2CCN(c3ccc(C#N)nn3)CC2)CCC(=O)N1 1056001425 QYEIUMQCQMTUNY-HNNXBMFYSA-N 314.349 -0.334 30 20 DBED C[C@H](C#N)C(=O)N[C@@]1(CO)CCCN(C(=O)c2cnon2)C1 1056097988 YBBMDBSFVVATMA-RNCFNFMXSA-N 307.310 -0.687 30 20 DBED CCn1nncc1C(=O)NC1[C@H]2CN(c3cncc(C#N)n3)C[C@H]12 1056203005 QNOGZSNEGGQTHI-QWRGUYRKSA-N 324.348 -0.176 30 20 DBED Cc1nn[nH]c1C(=O)NC1[C@@H]2CN(c3cnc(C#N)cn3)C[C@@H]12 1056362019 KEAGPFIRYSSLFW-NXEZZACHSA-N 310.321 -0.361 30 20 DBED N#Cc1ccc(C(=O)NCCN(CCO)C(=O)c2cn[nH]c2)[nH]1 1057074181 VWZYSBIVJVBXFS-UHFFFAOYSA-N 316.321 -0.526 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)c1ccccn1 1057199630 ZCDFMOAOHNWNAY-UHFFFAOYSA-N 307.350 -0.165 30 20 DBED N#Cc1cnc(N[C@H]2CCCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)cn1 1057760057 GTJYCMAMAFMGKW-WCQGTBRESA-N 314.349 -0.127 30 20 DBED N#Cc1nccnc1N1CCC(NC(=O)[C@H]2C[C@H]2C(N)=O)CC1 1057944475 XUUYOADATHZECR-MNOVXSKESA-N 314.349 -0.445 30 20 DBED O=C(C#CC1CC1)NCCN(CCO)C(=O)COCC(F)F 1058143854 NNGYYTOSWRPKTO-UHFFFAOYSA-N 318.320 -0.381 30 20 DBED Cn1nnc(C(=O)N2[C@H]3CC[C@H]2CN(c2ccncc2C#N)C3)n1 1058790550 STQLXLITNYZWCP-RYUDHWBXSA-N 324.348 -0.030 30 20 DBED N#Cc1cncc(N[C@H]2C[C@@H](NC(=O)[C@@H]3CCC(=O)N3)C2)n1 1059686217 XTQZHLCPLNVCLB-NGZCFLSTSA-N 300.322 -0.314 30 20 DBED N#Cc1cnc(N2CC[C@H](CNC(=O)c3nccnc3N)C2)cn1 1061551868 WNTKWWULPZNNED-SNVBAGLBSA-N 324.348 -0.023 30 20 DBED C#CCNC(=O)CC(=O)NCC1(NC(=O)c2cocn2)CCC1 1062829161 BUZXGXJNJMYAOZ-UHFFFAOYSA-N 318.333 -0.417 30 20 DBED N#Cc1nccnc1N1CCO[C@@H](CNC(=O)c2cocn2)C1 1063618467 AVUKCFVJIZWGET-JTQLQIEISA-N 314.305 -0.029 30 20 DBED N#Cc1nc(=NCC[C@H]2CCCCN2C(=O)CC(N)=O)cc[nH]1 1063825405 PIBGGGNGCYDDGL-LLVKDONJSA-N 316.365 -0.171 30 20 DBED CCn1ncc(C(=O)N[C@H]2[C@H]3C[C@H]2N(c2nccnc2C#N)C3)n1 1064245713 AAHPWIUFYDYYLF-BIMULSAOSA-N 324.348 -0.033 30 20 DBED Cc1c(C(=O)N2CCO[C@H](CNC(=O)[C@H](C)C#N)C2)cnn1C 1064857572 NDBWDMLNSUTTFY-ZYHUDNBSSA-N 319.365 -0.155 30 20 DBED Cn1nncc1C(=O)N[C@]1(C)CCN(c2cnc(C#N)cn2)C1 1065251212 SAEDCYCDBOESJQ-CQSZACIVSA-N 312.337 -0.124 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)c2[nH]nnc2C)CCO1 1065414668 BQKVGJKXIYXIMX-GFCCVEGCSA-N 319.365 -0.126 30 20 DBED Cc1cc(C#N)nc(N2C[C@@H](O)[C@H](CNC(=O)C3CC3)C2)n1 1067642909 MVXVGCJNSHTVHO-DGCLKSJQSA-N 301.350 -0.020 30 20 DBED N#Cc1nccnc1N1C[C@H](CNC(=O)c2cn[nH]c2)[C@@H](O)C1 1067651263 ISRGFBZYOYPJAW-JQWIXIFHSA-N 313.321 -0.702 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](CNC(=O)c3cc[nH]c3)C2)nn1 1067696301 RTKONHKVNJPXNH-DGCLKSJQSA-N 312.333 -0.097 30 20 DBED C#CCOCCC(=O)N1CCOC2(C1)CN(C(=O)C(F)F)C2 1068397710 SEPBVRGKYYNPDS-UHFFFAOYSA-N 316.304 -0.269 30 20 DBED C=CCCC(=O)N1CC2(C[C@@H](NC(=O)CC(=O)NCC)CO2)C1 1068821782 PYWONCBVFYVRSQ-GFCCVEGCSA-N 323.393 -0.035 30 20 DBED CC(C)(C)C#CC(=O)NCC1(NC(=O)CC(N)=O)CCOCC1 1070047416 RWNGKXRNHWCYMC-UHFFFAOYSA-N 323.393 -0.307 30 20 DBED C=CCN1C[C@H]2C[C@H]3CN(C(=O)Cn4nccn4)C[C@@]3(C1)O2 1070806144 DOPVWSIXWNNQQW-GZBFAFLISA-N 303.366 -0.234 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)C[C@H]4CCC(=O)N4)C[C@@]3(C1)O2 1070867321 HZYUOFXBUSUFJF-ZOMKSWQUSA-N 317.389 -0.410 30 20 DBED C[C@@H](O)CN1CCNC(=O)CCN(C(=O)C#CC2CC2)CC1 1070961970 ALMYUBQZPPQOOQ-CYBMUJFWSA-N 307.394 -0.569 30 20 DBED CC#CCN1CC[C@]2(C1)CN(C(=O)Cn1cncn1)C[C@@H](C)O2 1071239307 ZWYFLZLZXPRIQO-ZBFHGGJFSA-N 317.393 -0.007 30 20 DBED C#CCOCCC(=O)N1C[C@H](C)[C@@H](NC(=O)c2ncn(C)n2)C1 1072097873 SCCPKODXVSHYGA-RYUDHWBXSA-N 319.365 -0.568 30 20 DBED CC#CCN1CCCO[C@@H](CNC(=O)[C@@H]2CCNC(=O)C2)C1 1073572289 WTUQKGMWUDLPGK-KGLIPLIRSA-N 307.394 -0.257 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)CN3CCOCC3)C[C@@H]21 1074219198 MAAQZDIRUYDBMP-LSDHHAIUSA-N 307.394 -0.747 30 20 DBED C[C@H](C#N)C(=O)N1CCC(O)(CNC(=O)c2ccn(C)n2)CC1 1074707051 STMWIUKNPZPTKA-LLVKDONJSA-N 319.365 -0.337 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)C1=COCCO1 1076218126 XBZPTJXXMZKCDR-NSHDSACASA-N 323.349 -0.975 30 20 DBED CC#CCN1C[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)[C@@H]2C1 1076544692 AVAGCTQPGPJMKT-NWDGAFQWSA-N 304.350 -0.906 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1nc[nH]n1 1077836236 JPBDWXYFXIFPQA-RYUDHWBXSA-N 318.381 -0.473 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)c2cn(CC3CC3)nn2)C1 1077908962 GOQMVYIUMWIGJC-TZMCWYRMSA-N 303.366 -0.514 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN(C(=O)CCC)C2)C1 1078222967 ZAJPUEGMXQSPAF-RBSFLKMASA-N 321.421 -0.180 30 20 DBED O=C1NCC[C@H]1NC[C@@H]1CN(C(=O)C#CC2CC2)CCCO1 1078399057 WTVGKXDFIULQLG-ZIAGYGMSSA-N 305.378 -0.505 30 20 DBED CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)C[C@H]2CC(=O)NC2=O)C1 1080421742 OWGSHEXMFKKUMJ-VHSXEESVSA-N 320.349 -0.742 30 20 DBED C#CCNC(=O)CC(=O)NC1(CO)CCN(C(=O)C2CC2)CC1 1080824718 YYWUYHFHBJYJCN-UHFFFAOYSA-N 321.377 -0.994 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CO)(NC(=O)CCCN(C)C)CC1 1080971666 LIBKCIJIDXIIRC-CYBMUJFWSA-N 324.425 -0.042 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cccnc2)C1 1081191561 IWKXMNGVNSSTIO-UONOGXRCSA-N 319.361 -0.167 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)c2cnnn2C)C[C@@H]1O 1081334632 AMHDZGFVNWZCDP-JQWIXIFHSA-N 307.354 -0.670 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)c2[nH]nnc2C)C[C@H]1O 1081440019 XFIZRNGLTQHIMR-VXGBXAGGSA-N 319.365 -0.534 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)c2cnsn2)C[C@@H]1O 1081441455 INPWKCPXTTWTDW-JQWIXIFHSA-N 322.390 -0.109 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@H](CNC(=O)Cc2nc[nH]n2)C1 1081794861 VFWFYPXUNMXVHX-MNOVXSKESA-N 321.381 -0.505 30 20 DBED C#CCCN1C[C@@H](NC(=O)[C@@H]2CCCN(C(N)=O)C2)[C@H](OC)C1 1081915702 RWDHFHJUORFRFI-MGPQQGTHSA-N 322.409 -0.384 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@H]1CCc2nncn2CC1 1081959322 CUNGCWNAWJYHQI-YNEHKIRRSA-N 318.381 -0.430 30 20 DBED CC#CCN1C[C@@H](NC(=O)c2cn(C)c(=O)cn2)[C@H](OC)C1 1081960835 UWTKRHDZQNUHCP-DGCLKSJQSA-N 304.350 -0.767 30 20 DBED C=CCCn1cc(C(=O)N[C@@H]2CN(CCCO)C[C@H]2OC)nn1 1082218959 NCQDADBCUWNEDI-TZMCWYRMSA-N 323.397 -0.334 30 20 DBED C#CCN1C[C@@H](NC(=O)c2cc(C(N)=O)ccn2)[C@H](OC)C1 1082401745 AEEHYEHCXRFQKK-CHWSQXEVSA-N 302.334 -0.757 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@@H]2CCc3nnnn3CC2)C[C@H]1C 1082754344 WLITWDAINUVOHP-JHJVBQTASA-N 302.382 -0.305 30 20 DBED C=CCCN1CC[C@@H]2CN(C(=O)[C@@H]3CCS(=O)(=O)N3)[C@@H]2C1 1084838536 ONOPQUQDMXELOW-FRRDWIJNSA-N 313.423 -0.213 30 20 DBED Cn1nnc2c1C[C@H](C(=O)NC[C@H]1C[C@@H](NCC#N)C1)CC2 1086177992 PCJHZXFAHYGQFR-UTUOFQBUSA-N 302.382 -0.072 30 20 DBED C#CCCN1CC[C@H](NC(=O)CN2C(=O)CNC2=O)[C@H]1CC 1087822016 QZTHUVRPDFAYHJ-NWDGAFQWSA-N 306.366 -0.469 30 20 DBED C#CCN[C@H]1CCCCCN(C(=O)CN2CCC(=O)NC2=O)C1 1088410246 CJMOFDMZPPHMGE-ZDUSSCGKSA-N 320.393 -0.078 30 20 DBED N#CCN1C[C@@H]2[C@@H]3CC[C@@H](CN3C(=O)C3CS(=O)(=O)C3)[C@H]2C1 1089805956 MPAXHZJIGBIHMG-GHYVTOPFSA-N 323.418 -0.277 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2cn3c(n2)COCC3)[C@@H](O)C1 1090360063 IZGOWHAYIQKDPH-JSGCOSHPSA-N 318.377 -0.398 30 20 DBED COCC(C)(C)C(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1O 1090502445 WLPCOXSTGXMKJA-VXGBXAGGSA-N 319.365 -0.313 30 20 DBED C=CCN1CC[C@H](NC(=O)c2ccnc3c2nnn3C)[C@@H](O)C1 1090522178 HIILDXMIDKPOHG-RYUDHWBXSA-N 316.365 -0.286 30 20 DBED N#CCN1CC[C@H](NC(=O)c2ccc3nc(O)[nH]c3n2)[C@H](O)C1 1090522538 JPKJJLCKSSDIAG-GZMMTYOYSA-N 316.321 -0.648 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2nccn3ccnc23)[C@H](O)C1 1090580792 LRBSFQYOWHGIIR-CHWSQXEVSA-N 313.361 -0.082 30 20 DBED C=CCN1CC[C@H](NC(=O)Cn2nnnc2C(C)C)[C@H](O)C1 1090632657 JNVRNXAUZVKNKZ-NWDGAFQWSA-N 308.386 -0.466 30 20 DBED N#CCN1CC[C@H](NC(=O)c2ccc3nnc(O)n3c2)[C@@H](O)C1 1090636831 DACNUGAKXDMRSH-QWRGUYRKSA-N 316.321 -0.877 30 20 DBED Cn1nc2c(c1C(=O)N[C@@H]1CCN(CC#N)C[C@@H]1O)CCC2 1090724213 GYZOVRBAFMHICJ-OLZOCXBDSA-N 303.366 -0.403 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CCN(CCOC)C[C@H]2O)nc1 1090737091 MRYOGOKRQBPULJ-UKRRQHHQSA-N 303.362 -0.126 30 20 DBED C#CCN1CC[C@H](NC(=O)Cc2c(C)nc(C)nc2O)[C@H](O)C1 1090805222 MELAKHDFZCLNAH-UONOGXRCSA-N 318.377 -0.474 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CN(c2ncccn2)C[C@@H]1n1ccnn1 1092097857 HRKSGROMUBROQP-UTUOFQBUSA-N 312.337 -0.226 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCN(c2ccc(C)nn2)C[C@H]1O 1092164925 QOQUCBFIUUTHNN-ZIAGYGMSSA-N 318.377 -0.119 30 20 DBED N#Cc1nc(=NCCNC(=O)C[C@H]2CCCC(=O)N2)cc[nH]1 1094259562 OYEDMFGYQFVISM-SNVBAGLBSA-N 302.338 -0.643 30 20 DBED N#Cc1ccc(N[C@H]2CCCN(C(=O)CNC(N)=O)C2)nn1 1095274901 XKVUUBZLTQOCJV-JTQLQIEISA-N 303.326 -0.581 30 20 DBED CCN(CCCNC(=O)C1(C(N)=O)CC1)c1ccc(C#N)nn1 1095954971 PIQBLUMTSWDHQZ-UHFFFAOYSA-N 316.365 -0.054 30 20 DBED CCN(CCCNC(=O)[C@@H]1CNC(=O)N1)c1nccnc1C#N 1095960211 XJSGLMKQZVEJMF-NSHDSACASA-N 317.353 -0.638 30 20 DBED COCC(=O)NCCN1CCN(c2nccnc2C#N)CC1 1096266684 TVAOXPFSJCVXQY-UHFFFAOYSA-N 304.354 -0.767 30 20 DBED Cc1cc(C#N)nc(N2CC[C@@H](NC(=O)CS(C)(=O)=O)C2)n1 1096343242 PWAUVQWEQSIRLM-SNVBAGLBSA-N 323.378 -0.604 30 20 DBED CNC(=O)NCC(=O)N[C@H]1CCN(c2cc(C)ncc2C#N)C1 1096493031 HSGJUAYHDUIQLH-LBPRGKRZSA-N 316.365 -0.114 30 20 DBED N#Cc1ccc(N[C@@H](CNC(=O)Cn2cnnn2)C2CC2)nc1 1096568410 XSGAPFYCBCMWAM-LBPRGKRZSA-N 312.337 -0.053 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1C[C@H](Nc2ccc(C)nn2)C1 1097015200 VYUXIEMOWQTKRH-HAQNSBGRSA-N 301.350 -0.016 30 20 DBED CN1C(=O)CC[C@H]1CC(=O)N1CCC(N(CC#N)CCO)CC1 1098446359 UUDKRQWIXQVGIW-AWEZNQCLSA-N 322.409 -0.194 30 20 DBED Cn1ncnc1CN1CC[C@@H](NC(=O)CSCC#N)[C@@H](O)C1 1099692808 HPTGZSNVPLGNTB-MNOVXSKESA-N 324.410 -0.877 30 20 DBED C=CCCCN1CC[C@H](NC(=O)C2CS(=O)(=O)C2)[C@H](O)C1 1099840562 DNMZMSNWMYBWDG-QWHCGFSZSA-N 316.423 -0.451 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)c2c[nH]cc2C)[C@H](O)C1 1100108115 QPTIWYOVJKPQOU-UONOGXRCSA-N 318.377 -0.762 30 20 DBED N#CCNC1CC(CNC(=O)CN2CCCS2(=O)=O)C1 1100385260 HOVPSJLQYHELHO-UHFFFAOYSA-N 300.384 -0.970 30 20 DBED CCN(CCNC(=O)CNC(N)=O)c1ccc(C#N)c(C)n1 1100458598 JPNCZILCQSQPSD-UHFFFAOYSA-N 304.354 -0.128 30 20 DBED CCN(CCNC(=O)[C@@H]1CCN(C)C1=O)c1ccnc(C#N)n1 1100681289 AFMKYFKTYHYNAJ-NSHDSACASA-N 316.365 -0.231 30 20 DBED CCN(CCNC(=O)[C@@H]1CNC(=O)N1)c1nc(C)ccc1C#N 1100698696 ISEHYLQSQTVLSS-LBPRGKRZSA-N 316.365 -0.114 30 20 DBED CCc1nc(C#N)cc(NCCN(C)C(=O)[C@@H]2COC(=O)N2)n1 1101572329 PUKGJIDGLQGVCY-JTQLQIEISA-N 318.337 -0.111 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1CCNC(=O)CN1C(=O)CCC1=O 1103706561 ABXROCHDWDVBHN-VXGBXAGGSA-N 306.366 -0.267 30 20 DBED CNC(=O)CC(=O)N1CCC[C@@H]1CNc1ccc(C#N)nn1 1103804358 JEQDYTLJULHPRF-LLVKDONJSA-N 302.338 -0.113 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)CCc1nc[nH]n1 1103949764 XBDXTJIJHGNSRV-SNVBAGLBSA-N 314.353 -0.315 30 20 DBED COCC(=O)N[C@H](C)C(=O)N1C[C@@H](C)[C@H](CCNCC#N)C1 1104226857 CKRQJKFYKUNIPI-JHJVBQTASA-N 310.398 -0.265 30 20 DBED CC(C)[C@@H](CNC(=O)CS(C)(=O)=O)N=c1cc[nH]cc1C#N 1105118689 BBEGXSMJHQPWSH-CYBMUJFWSA-N 324.406 -0.028 30 20 DBED CN(CCN(C)c1cncc(C#N)n1)C(=O)[C@H]1COC(=O)N1 1105393098 JMNVYNWBMHOBTC-SNVBAGLBSA-N 304.310 -0.649 30 20 DBED CNC(=O)NCC(=O)N(C)CCN(C)c1ncc(C#N)cc1F 1105592726 VVVYJZLHLYYNCP-UHFFFAOYSA-N 322.344 -0.084 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)COCC2CC2)nn1 1105719135 YJCCXMIYNQFPHF-LBPRGKRZSA-N 305.338 -0.336 30 20 DBED C[C@H](CC(=O)NC[C@@H](O)CNc1ncccc1C#N)NC(N)=O 1105972468 KOEQPEYSEBCHLP-MWLCHTKSSA-N 320.353 -0.711 30 20 DBED CN1CC[C@@H](C(=O)NC[C@@H](O)CNc2ccc(C#N)cn2)C1=O 1106064359 SNKAXLZFEDIPQF-RYUDHWBXSA-N 317.349 -0.679 30 20 DBED C#CCOCCC(=O)N1C[C@@H](C)[C@H](CNCc2nnnn2C)C1 1106114985 KDGYASFJBIADNX-CHWSQXEVSA-N 320.397 -0.566 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CNCC(=O)NC)C1 1106266312 BXMVASAQISHCEO-KFWWJZLASA-N 320.437 -0.486 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)[C@H](C)n1cncn1 1106731808 HOKYZBUVSUYWJL-NSHDSACASA-N 314.353 -0.117 30 20 DBED CCN(CCNc1cnc(C#N)cn1)C(=O)Cn1ncnn1 1106851516 GXOJLOHYZIPIBG-UHFFFAOYSA-N 301.314 -0.705 30 20 DBED C#CCCN1CC(n2cc(CNC(=O)CNC(=O)OC)nn2)C1 1107136980 MOGIKUGQQNXTJP-UHFFFAOYSA-N 320.353 -0.870 30 20 DBED C[C@H](CNc1nccnc1C#N)NC(=O)[C@]1(C)CCNC1=O 1108105766 QYJSIHGGFNTUPN-YMTOWFKASA-N 302.338 -0.209 30 20 DBED C[C@@H](CN=c1cc[nH]cc1C#N)NC(=O)C(=O)NCC1CC1 1108487917 FBHWWAZIBSUSFM-JTQLQIEISA-N 301.350 -0.182 30 20 DBED CC[C@@H](NC(C)=O)C(=O)N[C@@H](C)CN=c1cc[nH]c(C#N)n1 1108705676 QXBIKZIVXGRPGO-GXSJLCMTSA-N 304.354 -0.399 30 20 DBED Cc1ccc(C#N)c(N(C)C[C@@H](C)NC(=O)CNC(N)=O)n1 1108815896 DSHWJVJPQYERIB-SNVBAGLBSA-N 304.354 -0.129 30 20 DBED C[C@H](CN(C)c1ccc(C#N)nn1)NC(=O)[C@H]1C[C@H]1C(N)=O 1109243559 ZJFMQMLVJGXXEJ-IEBDPFPHSA-N 302.338 -0.589 30 20 DBED C=CCOCCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H]1CNC(=O)N1 1109653385 UFPZVTWILXOWEP-VOAKCMCISA-N 308.382 -0.408 30 20 DBED C[C@H](NC(N)=O)C(=O)N[C@@H](CN=c1cc[nH]cc1C#N)C1CC1 1109842510 DRVYAVVGVWRVMG-ZANVPECISA-N 316.365 -0.261 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CC[C@@H]1NC(=O)NC1=O 1110078685 ZBKKSKXZBLZNPD-RHYQMDGZSA-N 304.350 -0.671 30 20 DBED CCOCCC(=O)NC[C@@]1(O)CCN(c2nccnc2C#N)C1 1111041162 GILLQIPZLDMVFE-HNNXBMFYSA-N 319.365 -0.168 30 20 DBED COCc1cc(N2C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)C#N)C2)ncn1 1111176613 LUSSRQSWMUSQST-DRZSPHRISA-N 319.365 -0.209 30 20 DBED CC(C)OCC(=O)N(C)[C@H]1CN(c2nccnc2C#N)C[C@@H]1O 1111184370 CXIIZTILMNBMGS-STQMWFEESA-N 319.365 -0.219 30 20 DBED CCCNC(=O)NC(=O)CN1CCN(C(=O)[C@@H](C)C#N)CC1 1112711431 ADYNOLUONXONOT-NSHDSACASA-N 309.370 -0.474 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)c2ccnc(O)c2)CC1 1112765138 OLIHBDPIWPQRQQ-GFCCVEGCSA-N 316.361 -0.317 30 20 DBED C=CCOCCN1CCN(C(=O)[C@H](C)NC(=O)COC)CC1 1112873405 LAXKYEIWWZOAII-ZDUSSCGKSA-N 313.398 -0.516 30 20 DBED CCNC(=O)CC(=O)N[C@@H](C)[C@H](C)N=c1cc[nH]c(C#N)n1 1112977421 ANHDONNCQRXOQQ-UWVGGRQHSA-N 304.354 -0.399 30 20 DBED C[C@H](N=c1cc[nH]c(C#N)n1)[C@H](C)NC(=O)CC(=O)N(C)C 1113318849 DFLDWUUVRWFGBW-UWVGGRQHSA-N 304.354 -0.446 30 20 DBED C[C@H](CNC(=O)[C@@H]1CN(C)CCO1)N(C)c1cnc(C#N)cn1 1113534010 QEEFOXOSTPBRJS-YPMHNXCESA-N 318.381 -0.380 30 20 DBED C[C@H](CNC(=O)[C@H]1CN(C)C(=O)N1)N(C)c1ncccc1C#N 1113802867 WLFFIIANTBEJKW-ZYHUDNBSSA-N 316.365 -0.082 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3cnn(CC)c3)[C@H]2C1 1114058317 SNKTVBDCTSRIHD-NHAGDIPZSA-N 315.377 -0.688 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1[C@@H]2CN(CCCN3C(=O)CNC3=O)C[C@@H]21 1114067057 MERBSZUVOWKAAB-DCQANWLSSA-N 319.365 -0.866 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)C[C@@H]3CCOC3)[C@H]2C1 1114088059 HPQOLZOOAOYGGL-BCUIYNNISA-N 307.394 -0.238 30 20 DBED C=CCCOCC(=O)NC1[C@@H]2CN(Cc3cnn(C)n3)C[C@@H]12 1115324469 RHQXOLPTVCYHCT-CHWSQXEVSA-N 305.382 -0.046 30 20 DBED C[C@H](CN(C)C(=O)[C@H]1COCCN1C)Nc1cnc(C#N)cn1 1115682580 RSZSSZQNKNDDIV-DGCLKSJQSA-N 318.381 -0.062 30 20 DBED C#CCNC(=O)C1CCN(C(=O)NCCS(C)(=O)=O)CC1 1116951377 GJUIEAYHPPRAOC-UHFFFAOYSA-N 315.395 -0.798 30 20 DBED C[C@H](C[C@@H]1CCOC1)NC(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1118215443 NXSGXSJHIABBAI-XUJVJEKNSA-N 309.366 -0.205 30 20 DBED C#CC1CCN(c2nnnn2C[C@H]2CC[C@@H](C(N)=O)O2)CC1 1120285829 REFCFZKPWCNWPQ-NEPJUHHUSA-N 304.354 -0.444 30 20 DBED CN(C)C(=O)N1CCN(C(=O)C(=O)N2CCC[C@@H](C#N)C2)CC1 1120471721 SUNRYXVNAQNXRI-LBPRGKRZSA-N 321.381 -0.426 30 20 DBED C#CCNC(=O)CC(=O)NC1CC2(CC(NC[C@H](C)O)C2)C1 1120980608 AFUZDNLNRKEHCW-KWDKGFIESA-N 307.394 -0.476 30 20 DBED CCc1nc(C#N)cc(N[C@@H](CO)CNC(=O)c2cc[nH]n2)n1 1121144666 TYLRRCOTSBSWLQ-SNVBAGLBSA-N 315.337 -0.163 30 20 DBED CCn1ncc(C(=O)NC[C@@H](CO)Nc2cncc(C#N)n2)n1 1121471742 IQNDZTZARPJQAA-JTQLQIEISA-N 316.325 -0.838 30 20 DBED Cc1nccn1CC(=O)NC[C@H](CO)Nc1cnc(C#N)cn1 1121599022 OXCUPAZJMFATEV-GFCCVEGCSA-N 315.337 -0.558 30 20 DBED CC(C)N(C)CC(=O)NC[C@@H](CO)Nc1cnc(C#N)cn1 1121670794 UWSUJOBLXVJXPM-LBPRGKRZSA-N 306.370 -0.423 30 20 DBED COCC(C)(C)C(=O)NC[C@@H](CO)Nc1nccnc1C#N 1122230236 UZYZXQSLYBDXMC-JTQLQIEISA-N 307.354 -0.090 30 20 DBED C=C(C)Cn1c([C@@H](C)CO)nnc1N1CCO[C@H](C(=O)NC)C1 1122437170 YXMPLDQWWDDKOV-RYUDHWBXSA-N 323.397 -0.099 30 20 DBED C[C@@H]1OCCO[C@@H]1C(=O)NC[C@@H](CO)Nc1cnc(C#N)cn1 1122776223 OPXJABITDHQGJB-GAFUQQFSSA-N 321.337 -0.959 30 20 DBED Cc1n[nH]cc1C(=O)N(C)C[C@@H](O)CNc1cnc(C#N)cn1 1124627968 MHERIOYSQQCUOC-NSHDSACASA-N 315.337 -0.075 30 20 DBED CN(C[C@H](O)CN(C)c1ccc(C#N)nn1)C(=O)[C@H]1CCOC1 1124994037 GCTSWAUMRSIFIG-WCQYABFASA-N 319.365 -0.360 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)c1cnn(C)c1N 1126087332 YGEXDZPGHZJNKN-UHFFFAOYSA-N 320.397 -0.478 30 20 DBED C#CCN1CCn2ncc(CNC(=O)Cc3n[nH]c(C)n3)c2C1 1128351075 SAMFACUQEXPREQ-UHFFFAOYSA-N 313.365 -0.383 30 20 DBED C=C(C)CN1CCn2ncc(CNC(=O)CNC(=O)NC)c2C1 1128372969 ZCOXLGJYJUUJRP-UHFFFAOYSA-N 320.397 -0.180 30 20 DBED N#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)CCc2ccon2)C1 1129114110 ZCRXEPJVOPOYPS-OLZOCXBDSA-N 315.337 -0.236 30 20 DBED CC#CCCCC(=O)NCCNCC(=O)NC(=O)NC1CC1 1132591214 JEYZKKZNPVLEPP-UHFFFAOYSA-N 308.382 -0.126 30 20 DBED C#CCNC[C@@H]1CN(C(=O)CN2CC(=O)N(C)C2=O)CC[C@@H]1C 1133249686 IZQNMPQPHAPPCP-QWHCGFSZSA-N 320.393 -0.412 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)C2CCN(C)CC2)C1=O 1133288190 RUHNBQSVRRRBNO-CQSZACIVSA-N 308.426 -0.179 30 20 DBED CC#CCNC[C@H]1CN(C(=O)CN2C(=O)CNC2=O)CC[C@@H]1C 1133307166 VNIGWOZJZDQEIJ-STQMWFEESA-N 320.393 -0.364 30 20 DBED C=C(C)CN(CC)C(=O)CNCCNC(=O)[C@@H](COC)OC 1133516392 ABVKIVIFSJIHSK-CYBMUJFWSA-N 315.414 -0.222 30 20 DBED Cc1c[nH]nc1C(=O)N[C@@H](C)C[C@@H](C)NCC(=O)NCC#N 1134307518 MMSDGEDSUMDHMH-MNOVXSKESA-N 306.370 -0.156 30 20 DBED C=CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)C(C)(C)C(N)=O 1134657820 NDAORISSLWLKHW-MNOVXSKESA-N 312.414 -0.327 30 20 DBED C=CCC[C@H](C)NCCNC(=O)CN1C(=O)C(=O)N(C)C1=O 1134714321 KVHZTAZEJUGAII-JTQLQIEISA-N 310.354 -0.533 30 20 DBED C[C@@H](C[C@H](C)NC(=O)CCCn1c(O)nnc1O)NCC#N 1134782486 GHRYDDAJVHVVPN-UWVGGRQHSA-N 310.358 -0.134 30 20 DBED C=CCn1cc(C(=O)NCCNCC(=O)NCC(C)C)nn1 1134973495 UPDYEBJQEIGPMS-UHFFFAOYSA-N 308.386 -0.444 30 20 DBED N#CCNC(=O)CNCCNC(=O)[C@@H]1CCC[C@@H]2CCCN12 1135093141 ITYIUGGQCGIYBG-OLZOCXBDSA-N 307.398 -0.651 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)C(=O)NCC1CC1)NCC(=O)NCC#N 1135788938 NCDZHAZUZJBDSP-WDEREUQCSA-N 323.397 -0.975 30 20 DBED CNC(=O)[C@@H](C)N1CCCO[C@@H](CNC(=O)C#CC(C)C)C1 1149715390 SJYRIHOECCHXLS-KGLIPLIRSA-N 309.410 -0.013 30 20 DBED C#CCCN1CCCO[C@H](CNC(=O)C[C@@H](C)NC(N)=O)C1 1149721738 QLYUESLIKVNPPC-CHWSQXEVSA-N 310.398 -0.336 30 20 DBED C=CCNC(=O)CNCCNC(=O)Cc1csc2nccn12 1151179188 QJOLVTQLCMPHRN-UHFFFAOYSA-N 321.406 -0.054 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)c1cc(OC)no1 1152872999 CMLMFBZZCSIKRQ-LLVKDONJSA-N 322.365 -0.127 30 20 DBED CCN(C)CCC(=O)NC[C@@H](C)N(CC)CC(=O)NCC#N 1156200003 FSLMTNGTTWXYDL-CYBMUJFWSA-N 311.430 -0.205 30 20 DBED C#CCNC(=O)CC(=O)NCCCN[C@H](C)c1ncccn1 1156847762 HDBNCQPXBXZQHS-GFCCVEGCSA-N 303.366 -0.227 30 20 DBED C#CCCNCC1(CCNC(=O)C2CC(=O)NC(=O)C2)CC1 1167450760 PVHWVLYUXRMPLO-UHFFFAOYSA-N 305.378 -0.061 30 20 DBED CC(C)n1cc(C(=O)NCCCNCC(=O)NCC#N)nn1 1169552474 SBKJXRUILWXCFU-UHFFFAOYSA-N 307.358 -0.792 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)C(=O)N1CC[C@@H](C)C1 1170643300 QHLMXFMOBWLASZ-CHWSQXEVSA-N 322.409 -0.911 30 20 DBED Cn1nc2c(c1C(=O)NCCCNCC(=O)NCC#N)CCC2 1171012065 UVBIXMSWNRTXFL-UHFFFAOYSA-N 318.381 -0.742 30 20 DBED C[C@H](CCCCNCC#N)NC(=O)CNC(=O)Cn1cncn1 1176738148 PDHPIBZNEXZIMI-GFCCVEGCSA-N 321.385 -0.818 30 20 DBED C#CCN1CCC(C(=O)NCCCN[C@H]2CCN(C)C2=O)CC1 1176926701 UIBDGYWRBBWVQH-HNNXBMFYSA-N 320.437 -0.342 30 20 DBED CC#CCN[C@H]1CCN(C(=O)CN2CCCS2(=O)=O)[C@H]1C 1178834893 AGKKDBRTPIHDRS-STQMWFEESA-N 313.423 -0.376 30 20 DBED C#CCNC[C@]1(C)CN(C(=O)c2cn(C)c(=O)nc2O)C[C@H]1C 1183382575 IFNCUSIICWPVMZ-BDJLRTHQSA-N 318.377 -0.193 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)C3CC(OC)C3)[C@@H]2C1 1188277931 KBOUJJRJQXCCCV-VXGQWTEUSA-N 319.405 -0.307 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)CCCn2ccnc2)C1 1188353708 IISIQHCHHIXPGQ-CQSZACIVSA-N 317.393 -0.397 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@H]1CCN(C(=O)CNC(=O)OC)C1 1189104514 KCFKIZYXKVUQJJ-RYUDHWBXSA-N 324.381 -0.987 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)CCC(=O)NCC)C1 1191734722 UWFXOMMMIHIZKH-GHMZBOCLSA-N 303.790 -0.184 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CN(Cc2nc(C(C)(C)C)n[nH]2)C[C@H]1O 1191854748 QZQWTZRQFHMHMH-HBNTYKKESA-N 320.397 -0.077 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2conc2C)C[C@H]1O 1192878699 JTKCTWLGXAJNAU-ZIAGYGMSSA-N 307.350 -0.316 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2nc(C)c(C)o2)C[C@H]1O 1192885590 ATIXEXXZHUVTJR-ZIAGYGMSSA-N 321.377 -0.007 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)CCN(C)c2ccncc2)C1 1194290455 YGIZYVUYQZJDPS-HUUCEWRRSA-N 302.378 -0.298 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC23CCC3)C1 1196436930 CKNTVSNVBYWCCL-JHJVBQTASA-N 307.394 -0.360 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)Cc2cncn2C)C1 1197774960 BNLPRZQJBYCGCN-ZIAGYGMSSA-N 308.382 -0.674 30 20 DBED CCN1CCO[C@@H](C(=O)N2CCCN(CC#CCOC)CC2)C1 1198190322 AOSLMCGCAYEGEW-MRXNPFEDSA-N 323.437 -0.109 30 20 DBED C=CCNC(=O)[C@@H](C)NC1CCN(C(=O)c2ncn(C)n2)CC1 1200388699 FLRCOXQUEZMEHH-LLVKDONJSA-N 320.397 -0.300 30 20 DBED C[C@@H](C(=O)N1CCCO[C@H](CNCC#N)C1)S(C)(=O)=O 1200816306 ZUZNKWJAISVJPD-WDEREUQCSA-N 303.384 -0.850 30 20 DBED Cn1cc(C(=O)N2CCCO[C@@H](CNCC#N)C2)ncc1=O 1201024125 UKPWAXAOZMJWOC-NSHDSACASA-N 305.338 -0.875 30 20 DBED C=C(C)CCNC[C@H]1CN(C(=O)[C@H]2CNC(=O)N2)CCCO1 1201269563 RLZHTUFGGBFBFR-QWHCGFSZSA-N 310.398 -0.159 30 20 DBED C#CCCNC[C@H]1CN(C(=O)C[C@H]2CCC(=O)N2)CCCO1 1201620156 CIFZGFNHGUUQDQ-KGLIPLIRSA-N 307.394 -0.115 30 20 DBED C=C(C)CNC[C@H]1CN(C(=O)CN2C(=O)CCC2=O)CCCO1 1202021808 QDOVBNRYQDQABN-ZDUSSCGKSA-N 323.393 -0.081 30 20 DBED CC#CCNCC1CCN(C(=O)CC[C@@H]2NC(=O)NC2=O)CC1 1206919892 POHAFWQJSVIMQB-ZDUSSCGKSA-N 320.393 -0.174 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCC[C@@H](NCC(=O)NCC#N)C1 1207951725 WNNXYXCMFXPVEH-IUODEOHRSA-N 308.382 -0.466 30 20 DBED C#CCCN[C@H]1CCCN(C(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 1208688134 PJUJOXHSAOAXSM-JSGCOSHPSA-N 315.377 -0.031 30 20 DBED CC#CCN[C@H]1CCCN(C(=O)c2cc(=O)n3[nH]cnc3n2)C1 1210662456 YDVAVCYCDGZWBM-NSHDSACASA-N 314.349 -0.365 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@]2(CC(C)C)CCNC2=O)[C@H](OC)C1 1212426174 RRLVYVJQSNGNRC-CPUCHLNUSA-N 321.421 -0.013 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)[C@H](F)CC)[C@H](OC)C1 1213268783 SDDUEZOWRDAGSG-IJLUTSLNSA-N 301.362 -0.148 30 20 DBED C=CCCCC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[nH]2)C[C@H]1OC 1213350622 XRLMUTAFRJZFTK-VXGBXAGGSA-N 323.397 -0.220 30 20 DBED CCCC[C@H](NC(N)=O)C(=O)N[C@@H]1CN(CC#N)C[C@H]1OC 1213975371 FIDQWOGIRVZWED-QJPTWQEYSA-N 311.386 -0.448 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)Cc2cnc(C)o2)C[C@H]1C 1214843315 KYMNWJYZTAAWHK-BXUZGUMPSA-N 318.377 -0.289 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)[C@H]2CCCC(=O)N2)C[C@H]1C 1214921516 KBMMCNVVUOPHIX-MGPQQGTHSA-N 307.394 -0.259 30 20 DBED C=CCN[C@@H]1CN(C(=O)CCS(=O)(=O)N(C)C)C[C@H]1C 1216824996 VEOMFEJRDJPWTM-VXGBXAGGSA-N 303.428 -0.110 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)COCCCOC 1218931014 NNPSTBDMRCRPQT-LSDHHAIUSA-N 310.394 -0.026 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)c2cscn2)C1 1219354108 WDVVWMAGNMRJMY-UMNHJUIQSA-N 324.406 -0.391 30 20 DBED C[C@@H](C(=O)NC1CC1)N1C[C@H](O)[C@H](NC(=O)C#CC2CC2)C1 1219594448 MACFGGKUCNSJFH-GDLCADMTSA-N 305.378 -0.772 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)c2cnc(C)n2C)C1 1220214974 UENDLJHZJBWDIN-OCCSQVGLSA-N 306.366 -0.847 30 20 DBED CCn1cc(CC(=O)N[C@@H]2CN(CC#CCOC)C[C@@H]2O)cn1 1220731838 CQQHMCVHTCBJHY-CABCVRRESA-N 320.393 -0.743 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3cn[nH]c3)[C@@H]2C1 1221300916 ITSJFNSSGWAFCI-DGCLKSJQSA-N 301.350 -0.695 30 20 DBED C=CCNC(=O)CN1CC[C@@H]2CN(C(=O)Cn3nccn3)[C@@H]2C1 1221576534 IDCBLASHNGHLNN-CHWSQXEVSA-N 318.381 -0.887 30 20 DBED C=C(C)CN1CCC(CNC(=O)CNS(=O)(=O)NC)CC1 1223945695 XUIKLQISRTUDQY-UHFFFAOYSA-N 318.443 -0.556 30 20 DBED C#CCCN1CC[C@@H]2CCN(C(=O)CS(=O)(=O)NC)C[C@@H]21 1224162894 VCOQUTCNLYWBOK-OLZOCXBDSA-N 313.423 -0.518 30 20 DBED Cn1nncc1C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCC#N 1225954881 ZRIBGOPJNLASMQ-GHMZBOCLSA-N 319.369 -0.915 30 20 DBED Cc1c[nH]c(C(=O)NC2CCN(CC(=O)NCC#N)CC2)n1 1229535550 VEINMRATQJXTHK-UHFFFAOYSA-N 304.354 -0.448 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC(=O)N1 1229786527 IXAQQLNKAMYKSB-UPJWGTAASA-N 320.393 -0.969 30 20 DBED C#CCN1CCC(NC(=O)CN(C)S(=O)(=O)CC)CC1 1229839600 QFPZYDYTPLEOHQ-UHFFFAOYSA-N 301.412 -0.518 30 20 DBED C#CCCN1CCS(=O)(=O)[C@@H](CCNC(=O)c2ncc[nH]2)C1 1230460930 VAGDCRIJXYKYKZ-LBPRGKRZSA-N 324.406 -0.348 30 20 DBED N#CCN1CCS(=O)(=O)[C@@H](CCNC(=O)Cc2ccc[nH]2)C1 1230521083 KLTJVDYCPBINDV-ZDUSSCGKSA-N 324.406 -0.314 30 20 DBED COCC#CCN1CC[C@@H]1CN(C)C(=O)[C@H]1CN(C)C[C@@H](C)O1 1235722525 LBGQWRNOTIUHPJ-BZUAXINKSA-N 323.437 -0.112 30 20 DBED CNC(=O)CNC(=O)C(=O)Nc1ccc(F)cc1OCC#N 1319226215 CHNCJWJCFLLCLE-UHFFFAOYSA-N 308.269 -0.471 30 20 DBED C#C[C@@H](NC(=O)C(=O)NCCCC(=O)NC1CC1)[C@H]1CCCO1 1322264510 NBBXAGNKBIQVKK-CHWSQXEVSA-N 321.377 -0.542 30 20 DBED C#CCC[C@@H](O)CNC(=O)[C@@H](C)S(=O)(=O)C1CCOCC1 1325139839 PTNJCBQPJRLBJZ-VXGBXAGGSA-N 317.407 -0.141 30 20 DBED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1c(C)ccn(C)c1=O 1325146770 RMFABWLMWVITKS-LLVKDONJSA-N 305.334 -0.477 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)N[C@H]2CCc3n[nH]cc3C2)CCO1 1325632930 MRTDDUNWDPFSJG-QWRGUYRKSA-N 303.322 -0.866 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N[C@@H](C)[C@@H]2CCCNC2)nn1 1325830324 RNSPYRVFMWTYNS-NWDGAFQWSA-N 320.397 -0.415 30 20 DBED C=CCN(C(=O)C(=O)NCCCS(C)(=O)=O)[C@@H](C)COC 1327900012 FAPZOECVMRFHMX-NSHDSACASA-N 320.411 -0.413 30 20 DBED N#C[C@@]1(F)CCN(C(=O)C(=O)N2[C@H]3CC[C@H]2CC(=O)NC3)C1 1328939198 QOWDFKIZCMZCTB-BHDSKKPTSA-N 308.313 -0.670 30 20 DBED C=CCCOCCNC(=O)C(=O)N1CCC[C@H](C(=O)NC)C1 1329479002 JMTMLGWOBCXEJR-LBPRGKRZSA-N 311.382 -0.320 30 20 DBED C#CCCCNC(=O)C(=O)Nc1cnn(CC(=O)N(C)C)c1 1338884425 ZTCBNSHYHNNSMX-UHFFFAOYSA-N 305.338 -0.561 30 20 DBED CCN1C[C@@H](CNC(=O)C(=O)N2CCC(C#N)CC2)CC1=O 1346410419 HWFLRNXXHVGIFV-GFCCVEGCSA-N 306.366 -0.267 30 20 DBED C#CCN(C)c1nnc([C@H]2CNC(=O)C2)n1C[C@@H]1CCOC1 1348734795 CMVIJQBJJNGKJF-NWDGAFQWSA-N 303.366 -0.013 30 20 DBED C=CCN(CC=C)C(=O)C(=O)NCCCN(C)S(C)(=O)=O 1350564951 BGZBKYUBPYAEQS-UHFFFAOYSA-N 317.411 -0.415 30 20 DBED C#CCOCCn1nnnc1N1CCC[C@@H](OCCOC)C1 1352537986 LQCJEVYMVSKONA-CYBMUJFWSA-N 309.370 -0.045 30 20 DBED O=C1CC(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 1362620740 QLCLMLXBXMYURC-UHFFFAOYSA-N 321.358 -0.037 30 20 DBED C[C@@H]1CCN(CC(=O)NCCn2cc(C#N)c(O)nc2=O)C1 1363285485 GCEWTXRZCVYLRQ-SNVBAGLBSA-N 305.338 -0.721 30 20 DBED CN1CCN(C(=O)CNC(=O)Nc2nn(C)cc2C#N)CC1 1365489452 XWNZFNXWBSPPSZ-UHFFFAOYSA-N 305.342 -0.813 30 20 DBED Cc1nn(C)c(=O)c(C(=O)N[C@H](C)CNC(=O)[C@H](C)C#N)c1C 1377210285 GKKAFWPSIMDNCQ-RKDXNWHRSA-N 319.365 -0.209 30 20 DBED COCCC(=O)N(CCO)C1CCN(C(=O)[C@H](C)C#N)CC1 1396623356 GDJICWDCTVUAQZ-GFCCVEGCSA-N 311.382 -0.006 30 20 DBED N#Cc1ccccc1CNC[C@H](O)CNC(=O)[C@H]1COC(=O)N1 1406216865 MOBILTVBOCHBHB-QWHCGFSZSA-N 318.333 -0.767 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@@H](O)CNC[C@@H]2CCCOC2)c1 1406223211 YOCPCWRZPZLUGT-AAEUAGOBSA-N 306.366 -0.007 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)CC1CCN(C)CC1 1410124573 WQKUXFLMUAUPEC-DGCLKSJQSA-N 310.398 -0.529 30 20 DBED CN(C[C@@H]1COCCO1)C(=O)CCn1cc(C#N)c(O)nc1=O 1413243213 GYJBCZPZHOAOMG-LLVKDONJSA-N 322.321 -0.916 30 20 DBED COC[C@H](OC)C(=O)NCC1(NC(=O)c2c[nH]c(C#N)c2)CC1 1417200410 LEMOZMCXXFCTIL-LBPRGKRZSA-N 320.349 -0.074 30 20 DBED Cc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC(=O)N(C)C 1417477824 YNULIHGOMPVTHI-ZDUSSCGKSA-N 317.397 -0.149 30 20 DBED CC1(C)[C@@H](NC(=O)CCn2cc(C#N)c(O)nc2=O)C[C@H]1O 1433917659 FQWLSDBICCDUOG-VHSXEESVSA-N 306.322 -0.514 30 20 DBED CC[C@@H](C(N)=O)N1CCN(CCN(C)C(=O)[C@@H](C)C#N)CC1 1443288677 KDOGESTUWSJNGF-STQMWFEESA-N 309.414 -0.514 30 20 DBED CO[C@@H]1CC[C@@H](NC(=O)CCn2cc(C#N)c(O)nc2=O)C1 1447744759 FQZBXIFERPGKFP-GHMZBOCLSA-N 306.322 -0.106 30 20 DBED C=CCCOCC(=O)N1CC[C@H](NCCN2C(=O)CNC2=O)C1 1480624847 NGAULCQHXDEGDX-LBPRGKRZSA-N 324.381 -0.679 30 20 DBED CNC(=O)NCCC(=O)NC[C@@H]1CCCN(C(=O)[C@H](C)C#N)C1 1494279765 OSXLOAGUYHUDBJ-NEPJUHHUSA-N 323.397 -0.180 30 20 DBED CCN(CCNC(=O)Cn1nc(C)n(C)c1=O)C(=O)[C@@H](C)C#N 1529011204 YMRJFAJUFPECLB-JTQLQIEISA-N 322.369 -0.985 30 20 DBED C[C@H](C#N)C(=O)NCCN(C(=O)CCn1cncn1)C1CC1 1529854457 TYNKTSXSKYNXBX-LLVKDONJSA-N 304.354 -0.065 30 20 DBED N#Cc1ncc(NC[C@H](O)C2CCOCC2)nc1-c1nn[nH]n1 1570918662 SAYVQYXEFGZDLY-JTQLQIEISA-N 316.325 -0.272 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@H](CCNC(=O)CNC(=O)O)C1 1573311145 ICYNTCUQZSQALC-NEPJUHHUSA-N 324.381 -0.780 30 20 DBED C#CCNS(=O)(=O)N1CCN(CCCCCCN)CC1 1574735898 JDXHOIUFOINYTR-UHFFFAOYSA-N 302.444 -0.409 30 20 DBED C#CCNC(=O)CN1CCCN(c2ncncc2C(=O)O)CC1 1588484200 TZQKVSPRRUFRKM-UHFFFAOYSA-N 317.349 -0.564 30 20 DBED C=C[C@@H]1OCC[C@H]1NC(=O)[C@@H](C)n1cnc(-c2nn[nH]n2)n1 1588728585 SLXIMJJXDGHTSQ-HLTSFMKQSA-N 304.314 -0.521 30 20 DBED C=CCCn1cc(C(=O)N2C[C@@H](C(=O)O)[C@@H](C(=O)OC)C2)nn1 1588817590 OHNFOUTVMKTGCW-ZJUUUORDSA-N 322.321 -0.200 30 20 DBED C=CCOC[C@H](NC(=O)CNC(=O)c1ncccc1O)C(=O)O 1588854259 SYORAKCFPFTSDK-VIFPVBQESA-N 323.305 -0.711 30 20 DBED CC#CCN1CCN(CCCNC(=O)[C@H]2C[C@@H]2C(=O)O)CC1 1588931125 LPHVKZJNSXPNAD-KBPBESRZSA-N 307.394 -0.146 30 20 DBED N#Cc1nc(NC(=O)c2cccc3ncnn23)[nH]c1-c1nn[nH]n1 1592681786 JQLOWNLONNRLIE-UHFFFAOYSA-N 321.264 -0.244 30 20 DBED C=CCOC[C@H](NC(=O)[C@H]1CCCCS1(=O)=O)C(=O)O 1609432183 IKVDMBICJZIPBU-VHSXEESVSA-N 305.352 -0.274 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H](C)CNC(=O)Cc1c(C)n[nH]c1C 1752917196 HIQLUBBIZSKHTM-GWCFXTLKSA-N 319.409 -0.199 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC(NC(=O)CCn2cccc2)C1 1753389525 HDSBWAPQKUHWQN-CYBMUJFWSA-N 302.378 -0.184 30 20 DBED CN(C(=O)CSCC#N)[C@H]1CCN(Cc2nnn(C)n2)C1 1753430592 UJNQWBLSNVBPLI-JTQLQIEISA-N 309.399 -0.500 30 20 DBED C=C[C@@](C)(CC)C(=O)NC[C@@H](O)CNCC(=O)NC(=O)NC 1753924839 CVDVBYVBOCBMMY-HZMBPMFUSA-N 314.386 -0.889 30 20 DBED C#CCNC[C@]1(C)CCN(C(=O)[C@H](CCC)S(N)(=O)=O)C1 1754700272 CXDGHURDVFKCCE-JSGCOSHPSA-N 315.439 -0.095 30 20 DBED CC#CCN[C@H](C)[C@@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 1754799114 AHKDZUQQGQLIOU-CHWSQXEVSA-N 305.382 -0.568 30 20 DBED C=C(C)CNC[C@H]1CN(C(=O)CN2C(=O)CNC2=O)C[C@@H]1C 1754826619 DRYKEIHRSZZPHL-RYUDHWBXSA-N 308.382 -0.202 30 20 DBED C=CCOCCN1C[C@H]2CN(C(=O)[C@H]3CN(C)CCO3)C[C@H]2C1 1754840579 BLRWGKHOCWRTKR-OWCLPIDISA-N 323.437 -0.090 30 20 DBED C=CCNCC1(NC(=O)[C@H](C)NS(C)(=O)=O)CCOCC1 1755098977 MJQCRWOFBNZTRF-NSHDSACASA-N 319.427 -0.635 30 20 DBED N#CCN1CC(CCO)(NC(=O)c2cnn(CC3CC3)c2)C1 1755337636 NWFIPLYAKXKNBC-UHFFFAOYSA-N 303.366 -0.017 30 20 DBED C=CCN1CC[C@@H](N2CC([C@H](C)NC(=O)CNC(C)=O)C2)C1=O 1755371877 WSKFSDCQWRYNTI-SMDDNHRTSA-N 322.409 -0.654 30 20 DBED C=CCOCC(=O)N1CCO[C@@H]([C@H](C)NCC(=O)NCC#N)C1 1755438664 KJTMSYBSTWXGOF-QWHCGFSZSA-N 324.381 -0.966 30 20 DBED CN(CC(=O)NCC#N)C1CCN(C(=O)[C@@H]2[C@H]3COC[C@H]32)CC1 1755532497 PLZHYJBMZZDAMK-NHAGDIPZSA-N 320.393 -0.559 30 20 DBED COc1cc(C(=O)N(C)C[C@H](C)NCC(=O)NCC#N)nn1C 1755595885 CGXOQSDLGWODSZ-JTQLQIEISA-N 322.369 -0.881 30 20 DBED CN(C[C@H](O)CNCC#N)C(=O)c1cnc2[nH]c(O)nc2c1 1755794561 SVBAAVHQHCSQRW-SECBINFHSA-N 304.310 -0.790 30 20 DBED C=CCO[C@H](C)C(=O)N1CC([C@@H](C)NC(=O)Cc2nc[nH]n2)C1 1756161836 XEIGDTJZBWRMLE-GHMZBOCLSA-N 321.381 -0.099 30 20 DBED C[C@@H](CN(C)C(=O)CCn1cncn1)NC(=O)CSCC#N 1756431197 GHCLHILHBUROJQ-NSHDSACASA-N 324.410 -0.112 30 20 DBED C#CCOCCC(=O)NC[C@@H](CO)NC(=O)c1ccc(C)nn1 1756521792 WIQZJCISOHYHNW-LBPRGKRZSA-N 320.349 -0.968 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H](CO)NC(=O)C#CC1CC1 1756530956 WWTSNKXYTAMQES-CABCVRRESA-N 317.389 -0.909 30 20 DBED CC#CCCCC(=O)NC[C@@H](CO)NC(=O)c1ccc(O)nn1 1756541993 ATBSZOFWSOXAAC-NSHDSACASA-N 320.349 -0.417 30 20 DBED C=CCOCC(=O)N[C@H]1C[C@H](NC(=O)CNC(C)=O)C12CCC2 1757044494 YQROBHVEVIUOSC-STQMWFEESA-N 323.393 -0.131 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@@H]2CN(C)C(=O)CC(N)=O)cn1 1757280410 LBJUVADSRBFUIR-CYBMUJFWSA-N 314.345 -0.389 30 20 DBED C=CCO[C@H](C)C(=O)N[C@H]1CCCCCN(C(=O)C(N)=O)C1 1757493175 BKJNFTCVIWYWJD-NEPJUHHUSA-N 311.382 -0.050 30 20 DBED CN(CCC(=O)O)S(=O)(=O)CCOC1(C#N)CCOCC1 1777054848 MEBYVXKABXUQRG-UHFFFAOYSA-N 320.367 -0.188 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#C)[C@H]2C1 1790789900 QHALXSWGIALFHP-AJNGGQMLSA-N 318.373 -0.362 30 20 DBED CC(C)N(C)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC#N 1795084567 HYTZHJKGEYXAJU-YWVIFJGQSA-N 322.409 -0.170 30 20 DBED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)[C@H]2CC2(F)F)C1 1843854743 BUIDRSGOSAPFCC-SECBINFHSA-N 312.272 -0.067 30 20 DBED C=CCNC(=O)NC(=O)CSC[C@H](NC(C)=O)C(=O)O 69555185 GZWGVNWTZDVDIX-QMMMGPOBSA-N 303.340 -0.679 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N1CCN(C(=O)C2CC2)CC1 73884252 ZSQFWGUYEVQZNO-LLVKDONJSA-N 308.382 -0.059 30 20 DBED Cc1n[nH]c(S(=O)(=O)N2CCO[C@H](C#N)C2)c1C(=O)O 93932702 SZCMEOXKHDTKMN-SSDOTTSWSA-N 300.296 -0.671 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CNCC[C@@H]2C)C1=O 263023105 AXDMDFLHDIXZBI-UWVGGRQHSA-N 308.338 -0.923 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)CN(CC)CC)CC1 264109159 JWZRKESUSLDEIE-AWEZNQCLSA-N 308.426 -0.390 30 20 DBED C=CCCOCCNC(=O)CNS(=O)(=O)CCCOC 270237446 NLUAPFUZTVGJDK-UHFFFAOYSA-N 308.400 -0.349 30 20 DBED C=CCNC(=O)CNC(=O)NCCS(=O)(=O)C(C)(C)C 271943744 IABHCUPBTIJPBA-UHFFFAOYSA-N 305.400 -0.199 30 20 DBED C#CCOc1ccccc1NC(=O)C(=O)N1CC[C@H](C(N)=O)C1 274839763 RWKMBLQUYIUYMF-NSHDSACASA-N 315.329 -0.029 30 20 DBED CCNC(=O)CN(CC)CC#CCN(CC)CC(=O)NCC 276307236 LGYFWNIFZJBJON-UHFFFAOYSA-N 310.442 -0.094 30 20 DBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCn2cnnc2C1 292353324 QFIOOEPBKUWUBZ-AAEUAGOBSA-N 319.365 -0.282 30 20 DBED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2C[C@@H](O)C2)cc1 298375656 MHYBQIWHRWZPNV-TXEJJXNPSA-N 308.359 -0.149 30 20 DBED CC(=O)N1CCN(/C(O)=N/CCN2C(=O)CN=C2O)[C@@H](C)C1 330090028 PCELGFDVNPXMBR-VIFPVBQESA-N 311.342 -0.791 30 20 DBED COCCN1CC[C@H](/N=C(/O)N2CCO[C@@H](COC)C2)C1 330935850 PIXGFXNPYHXYSR-QWHCGFSZSA-N 301.387 -0.032 30 20 DBED C[C@H]1CCCN(CCNS(=O)(=O)N2CCO[C@@H](C#N)C2)C1 336908455 GFXOUOGANRULKJ-STQMWFEESA-N 316.427 -0.223 30 20 DBED CN(CCNS(=O)(=O)N1CCO[C@H](C#N)C1)C1CCCC1 337056198 CHCDHCQAJNLFSC-CYBMUJFWSA-N 316.427 -0.080 30 20 DBED Cc1nn(C)cc1[C@H](C)NS(=O)(=O)N1CCO[C@H](C#N)C1 337067766 LWMAWCVTCTVDSN-WDEREUQCSA-N 313.383 -0.152 30 20 DBED COCCN(CCC#N)S(=O)(=O)NCCOCC(F)F 337161820 VAPGZHCELCWPAI-UHFFFAOYSA-N 315.342 -0.035 30 20 DBED N#Cc1ncn(CCNC(=O)c2cc([N+](=O)[O-])cnc2N)n1 342878917 CBVXOSBQPFGCMU-UHFFFAOYSA-N 302.254 -0.535 30 20 DBED COC[C@@](C)(NS(=O)(=O)c1cncc(C#N)c1)C(=O)OC 352068854 TTZUHYLKSIXJRD-GFCCVEGCSA-N 313.335 -0.190 30 20 DBED CN(C)c1noc(CNS(=O)(=O)c2cncc(C#N)c2)n1 352199967 GQFRWRQELFMQFL-UHFFFAOYSA-N 308.323 -0.119 30 20 DBED C=C(C)COCCNC(=O)CNS(=O)(=O)c1cnn(C)c1 355663732 CUKBGXLRFABQAJ-UHFFFAOYSA-N 316.383 -0.593 30 20 DBED C[C@H]1CN(C(=O)C(=O)NCC(=O)NCC#N)c2ccccc2O1 357287185 JONJFXQXDOPZHS-JTQLQIEISA-N 316.317 -0.444 30 20 DBED CCN(CCC#N)C(=O)CN1CCC[C@H](CS(N)(=O)=O)C1 358197035 NCCPIWVODRIPKO-LBPRGKRZSA-N 316.427 -0.251 30 20 DBED N#CCNC(=O)CNC(=O)NC[C@H](CO)Cc1ccc(F)cc1 358282873 XAHBYMQUHLWCHO-GFCCVEGCSA-N 322.340 -0.084 30 20 DBED N#CC1(CS(=O)(=O)NCCNC(=O)c2cnccn2)CC1 361505108 JWZMPDMHLGYRHI-UHFFFAOYSA-N 309.351 -0.570 30 20 DBED N#CCCN(CCC#N)C(=O)CN1CCN2C(=O)OC[C@H]2C1 370569423 ODFOXALHWYBLAT-GFCCVEGCSA-N 305.338 -0.221 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N[C@@H]1CCCS(=O)(=O)C1 407958592 RWBJRYUVFSRURJ-VHSXEESVSA-N 309.413 -0.511 30 20 DBED C=C(C)CS(=O)(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 435431859 KSYLGPYXVZPORI-GFCCVEGCSA-N 322.452 -0.303 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC[C@@H](CNS(C)(=O)=O)C1 490839683 JIFUUAGTTKVKGV-RYUDHWBXSA-N 301.412 -0.615 30 20 DBED C#CCNC(=O)CCN1CCC([C@@]2(C)NC(=O)NC2=O)CC1 491635877 UDPPQVVWRFKRKW-OAHLLOKOSA-N 306.366 -0.564 30 20 DBED C#CCN1CCC(c2nc(Cc3nc(=N)[nH]c(=N)[nH]3)no2)CC1 491804558 LYXAYJMMHWOGJN-UHFFFAOYSA-N 314.353 -0.517 30 20 DBED CCC[C@H](C#N)NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 523282261 FJZYXPFDADRQNX-SECBINFHSA-N 318.337 -0.758 30 20 DBED CNS(=O)(=O)CCNC[C@H](O)COc1ccc(C#N)cc1 567346578 OLDGJUPOYVQJET-LBPRGKRZSA-N 313.379 -0.563 30 20 DBED CC(C)(N)CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 567892506 IMAADFFUVOQRCU-UHFFFAOYSA-N 310.379 -0.310 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N(CCN(C)C)CCN(C)C 569504087 RBFCNUWIFBIANX-ZDUSSCGKSA-N 319.475 -0.252 30 20 DBED COC(=O)c1ccc(NC[C@H](O)Cn2ccnn2)c(C#N)n1 577124101 GRRLPWORGNMCNW-VIFPVBQESA-N 302.294 -0.196 30 20 DBED CNS(=O)(=O)N1CCN(C(=O)c2ccc(C#N)s2)CC1 578993962 FKYXEGHZQCWFFH-UHFFFAOYSA-N 314.392 -0.158 30 20 DBED CS(=O)(=O)N1CCCN(C(=O)NCC2(C#N)CC2)CC1 584876066 DPQGQPXFVBFZRY-UHFFFAOYSA-N 300.384 -0.033 30 20 DBED CNC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 585729584 DNUJTRNJHQKRKW-UHFFFAOYSA-N 303.322 -0.182 30 20 DBED C[C@]1(C2CC2)NC(=O)N(CC(=O)N2CC[C@](O)(CC#N)C2)C1=O 592840458 VMHCVBQKBVFTIP-HUUCEWRRSA-N 320.349 -0.416 30 20 DBED N#Cc1ccc(OC[C@H](O)CNC2(C(N)=O)CCOCC2)cc1 595728400 NMCWSIJMBKANPP-CYBMUJFWSA-N 319.361 -0.078 30 20 DBED C=CC[C@@H](CO)CNS(=O)(=O)c1cc(C(=O)OC)no1 599271029 CCYOUNORCLRUNF-MRVPVSSYSA-N 304.324 -0.076 30 20 DBED N#C[C@H]1CN(S(=O)(=O)N[C@H]2CCN(C3CC3)C2)CCO1 619708156 OADVPGJOJBLJNK-JQWIXIFHSA-N 300.384 -0.718 30 20 DBED COCCN(CCC#N)S(=O)(=O)NCc1cc(C)ncn1 619712725 QDFAWPWQTWFKBR-UHFFFAOYSA-N 313.383 -0.019 30 20 DBED C=C[C@H](CO)NC(=O)[C@H](C)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 620590546 ODSDFJRNTUOAEZ-KICZLOJDSA-N 308.334 -0.800 30 20 DBED C=CCC[C@H](CO)NC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1OC 666097791 IRHNLGWPVOQJOM-GMTAPVOTSA-N 306.384 -0.575 30 20 DBED C[C@]1(c2ccc(C#N)cc2)NC(=O)N(CC(=O)NCC#N)C1=O 728148436 DXOQDXNRZUEYLO-OAHLLOKOSA-N 311.301 -0.035 30 20 DBED CN1CC(=O)N(CC(=O)OCC(=O)N(C)C(C)(C)C#N)C1=O 749367829 LMNIBSBQMGAICF-UHFFFAOYSA-N 310.310 -0.816 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)CS(=O)(=O)C(C)(C)C 767829594 JEJMWOSDDRATBT-UHFFFAOYSA-N 320.367 -0.245 30 20 DBED C#CCOc1cc(F)ccc1NC(=O)C(=O)NCCC(N)=O 782681608 SYSKJRVANWHIOB-UHFFFAOYSA-N 307.281 -0.232 30 20 DBED C#CCOCCNC(=O)NC1CCN(CC(=O)NCCC)CC1 784193061 WBCIJFFJQXQNBL-UHFFFAOYSA-N 324.425 -0.074 30 20 DBED C[C@@H](OC(=O)CCN1C(=O)CCC1=O)C(=O)N(C)CCC#N 791767527 WGZKAKZBMZVYSH-SNVBAGLBSA-N 309.322 -0.171 30 20 DBED N#CCOc1ccccc1C(=O)NC[C@@H]1CC(C(N)=O)=NO1 793903152 PYSXFHMBOUHMPW-VIFPVBQESA-N 302.290 -0.051 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@@H]1CCOC[C@H]1OCC)[C@@H]1CCCO1 807131434 SFKKTCUUIKVLQO-RFQIPJPRSA-N 324.377 -0.406 30 20 DBED N#Cc1cn(CC(=O)N2CC(F)(F)C(F)(F)C2)c(=O)nc1O 823515096 LCBZNSZXUFYENZ-UHFFFAOYSA-N 320.202 -0.067 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@@H](C)CC(=O)O)CC1 825618351 ASKUFANZFGNNLJ-LBPRGKRZSA-N 309.366 -0.619 30 20 DBED Cn1cc(C#N)cc1C(=O)N(CCN1CCOCC1)CC(=O)O 833041011 WAPOGMZEOABUGS-UHFFFAOYSA-N 320.349 -0.244 30 20 DBED N#Cc1ncn(CC(=O)N(CCC(=O)O)C[C@@H]2CCCO2)n1 833078163 FBIXCUWFBSFJMM-JTQLQIEISA-N 307.310 -0.368 30 20 DBED C#CC[C@@H](NC(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O)C(=O)OC 837931536 NVELVVGPTKYAAO-GRYCIOLGSA-N 320.345 -0.157 30 20 DBED N#Cc1cc(F)ccc1CS(=O)(=O)NCCn1cnnn1 845951161 RJWQJYHQSBWKFN-UHFFFAOYSA-N 310.314 -0.197 30 20 DBED N#CCCCS(=O)(=O)NCCN1CCC2(C1)OCCO2 920103068 NUNZIURHBACIAR-UHFFFAOYSA-N 303.384 -0.342 30 20 DBED Cc1c(C(=O)N(C)[C@H]2CCN(C(=O)[C@@H](C)C#N)C2)nnn1C 939396561 JXVGXCBLNURUFC-ONGXEEELSA-N 304.354 -0.044 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](NC(=O)CN2CCCCC2=O)C1 941452330 WEMAXIHBMJYFFK-VXGBXAGGSA-N 306.366 -0.124 30 20 DBED N#Cc1ccc(C(=O)N2CCCC[C@H](NC(=O)C(N)=O)C2)[nH]1 943494212 ATCLLKAETGQKSC-JTQLQIEISA-N 303.322 -0.517 30 20 DBED C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)CC[C@H]1NC(=O)C(N)=O 945280895 ZDSVAZPKMBGZLN-PSASIEDQSA-N 303.322 -0.662 30 20 DBED C[C@H](C#N)C(=O)N1CCC(NC(=O)[C@@H]2CN(C)C(=O)N2)CC1 948110392 YADUKABKXOVTOZ-KOLCDFICSA-N 307.354 -0.723 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]1CNC(=O)c1ccc(C(N)=O)o1 951309121 ANVLWJCMGMYRAV-BDAKNGLRSA-N 304.306 -0.131 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CN(C(=O)Cn2cncn2)C1 955365098 CWNNEOSJBOWRSH-OLZOCXBDSA-N 319.365 -0.462 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@](C)(NC(=O)c2cc(=O)n(C)cn2)C1 957156539 ZMTMXQIPKZQYJS-ZUZCIYMTSA-N 317.349 -0.339 30 20 DBED C#CCCN1C[C@@H](O)[C@H](CNC(=O)c2cnn3c2CCC3)C1 958121946 NPMNYGKBRJIBAV-IUODEOHRSA-N 302.378 -0.125 30 20 DBED C#CCCN1C[C@@H](O)[C@H](CNC(=O)c2cn3cccnc3n2)C1 958215517 WWXIZGQYAYAWDD-TZMCWYRMSA-N 313.361 -0.225 30 20 DBED C#CCN1C[C@H](CNC(=O)c2ccnc(NC(C)=O)c2)[C@@H](O)C1 958488803 HLAAFTOGQZWWPB-KBPBESRZSA-N 316.361 -0.304 30 20 DBED C#Cc1ccc(C(=O)NC2[C@@H]3CN([C@@H](CC)C(N)=O)C[C@@H]23)nc1 962337951 BAMARIVSMRUBTN-BZPMIXESSA-N 312.373 -0.013 30 20 DBED C=CCNC1CCC(N(C)C(=O)Cn2cnc(C(N)=O)n2)CC1 963338470 WOMJWAMFUTYILW-UHFFFAOYSA-N 320.397 -0.078 30 20 DBED Cc1[nH]nc(C(=O)NC[C@@H]2COCCN2C(=O)[C@@H](C)C#N)c1O 964157181 ULJGZAHVBSRFIM-WCBMZHEXSA-N 321.337 -0.459 30 20 DBED C=CCn1cccc1C(=O)NC[C@H]1COCCN1C(=O)C(N)=O 964226951 TWQUEUSAWHJHIA-NSHDSACASA-N 320.349 -0.883 30 20 DBED C[C@@H](NC(=O)[C@H]1CCc2nnnn2CC1)C1CN(CC#N)C1 970456609 FUTSMQXOVGXKLC-MNOVXSKESA-N 303.370 -0.414 30 20 DBED N#CCN1C[C@H]2CC[C@H]1CN2C(=O)[C@@H]1CCc2nnnn2CC1 971845304 XISNRYJFDMRQNE-FRRDWIJNSA-N 315.381 -0.176 30 20 DBED C[C@]1(C(=O)N2CC[C@]3(CN(CC#N)CCO3)C2)CCNC1=O 972550090 VQTDIRQDRDWZOK-GJZGRUSLSA-N 306.366 -0.661 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)c3c[nH]c(C(N)=O)c3)C2)C1 972678145 UQZBTRGUGZRQMH-MRXNPFEDSA-N 316.361 -0.336 30 20 DBED CN(C[C@H]1CCN1C(=O)C#CC1CC1)C(=O)c1nnn(C)n1 978205311 SZDSPDHASRRKAP-LLVKDONJSA-N 302.338 -0.704 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)C(N)=O)[C@@H]1CC 984936554 HDWKUQHIXRLGCS-RVMXOQNASA-N 323.393 -0.051 30 20 DBED C#CCCN1CCCN(C(=O)[C@H]2COCCN2C(C)=O)CC1 989699786 VJKBHCXCUKHROD-OAHLLOKOSA-N 307.394 -0.209 30 20 DBED N#Cc1c[nH]c(C(=O)NC2CN(C(=O)C3(C(N)=O)CC3)C2)c1 990711504 SCLATDJJONKALU-UHFFFAOYSA-N 301.306 -0.908 30 20 DBED CC#CCN1CCC[C@H](NC(=O)CN2CCC(=O)NC2=O)[C@H]1C 994169999 UKBSXQPNMXLDFU-OLZOCXBDSA-N 320.393 -0.079 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)CS(C)(=O)=O)C2)cc1 997329574 VFBNFIGPAICOHE-UHFFFAOYSA-N 320.370 -0.347 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)CCn2cncn2)C1 999985884 ASRYASVOFLMPEF-OLZOCXBDSA-N 319.365 -0.414 30 20 DBED O=C1CC(C(=O)NCC2CN(C(=O)C#CC3CC3)C2)CC(=O)N1 1003232319 VPZKTXBDCRVUOV-UHFFFAOYSA-N 317.345 -0.973 30 20 DBED CC#CCN1CCC(N(C)C(=O)C2CC(=O)NC(=O)C2)CC1 1006137659 ZFQHPSPJOXGBID-UHFFFAOYSA-N 305.378 -0.015 30 20 DBED C#Cc1ccc(C(=O)N2C[C@@H](NC(=O)C(N)=O)C[C@@H]2C)cn1 1013466938 CFQQZUZXHMKUQF-CABZTGNLSA-N 300.318 -0.733 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2CCN(Cc3nc(O)n[nH]3)C2)cn1 1016030490 JFHFLMUPUBOKBY-LBPRGKRZSA-N 312.333 -0.109 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CC(N)=O)[C@H]1C 1020134616 OVJWMODEFYPQSU-AVGNSLFASA-N 320.393 -0.935 30 20 DBED CN1CC(=O)N(CC(=O)N2CCC[C@@H](N(C)CC#N)C2)C1=O 1027674385 XCBWCIAZRHQZIP-LLVKDONJSA-N 307.354 -0.673 30 20 DBED CN(Cc1nc(=O)n(C)[nH]1)C[C@@H]1CCN(C(=O)C#CC2CC2)C1 1029734117 RNLTZBHZXQXPJI-ZDUSSCGKSA-N 317.393 -0.198 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)c3cnnc(C)c3)C2)C1=O 1030252012 ILGVECRNFAYCNX-CQSZACIVSA-N 315.377 -0.014 30 20 DBED Cc1nn(CC(=O)N[C@H]2CCCCN(CC#N)C2)c(=O)n1C 1034508773 IXOCKWXVQAZGMH-LBPRGKRZSA-N 306.370 -0.616 30 20 DBED C#CCN1CCO[C@H](CNC(=O)c2ccc3c(n2)OCCO3)C1 1035432581 KYCLDWJIGHRDAH-GFCCVEGCSA-N 317.345 -0.083 30 20 DBED C=C(Cl)CN1CCO[C@@H](CNC(=O)[C@H]2CNC(=O)N2)C1 1035495230 HEZZQFRLXYRVCQ-VHSXEESVSA-N 302.762 -0.763 30 20 DBED C=CCN1CC2(CCN(C(=O)C[C@@H]3NC(=O)NC3=O)CC2)C1 1035724283 BAFKFZOHHWWHPT-NSHDSACASA-N 306.366 -0.305 30 20 DBED N#CCSCC(=O)N1CC(O)(CNC(=O)c2cnccn2)C1 1041256115 ZSMCUYUIZUBSNG-UHFFFAOYSA-N 321.362 -0.964 30 20 DBED N#CCSCC(=O)NCC1(O)CN(C(=O)C2[C@@H]3CCC[C@@H]23)C1 1041569397 WTDJHCVUODBFKR-GHMZBOCLSA-N 323.418 -0.021 30 20 DBED C=CCOCCCC(=O)N1CC(O)(CNC(=O)[C@@H](C)OC)C1 1041754929 WTMZCXYQGJRNAK-GFCCVEGCSA-N 314.382 -0.306 30 20 DBED N#Cc1c[nH]c(C(=O)NCC2(O)CN(C(=O)[C@H]3CC34CC4)C2)c1 1042398070 SNSGUCCPMHCNNJ-LLVKDONJSA-N 314.345 -0.010 30 20 DBED N#Cc1cc(C(=O)NCC2(O)CN(C(=O)[C@H]3CCCO3)C2)c[nH]1 1042666778 LZYCZTGYOWRGNZ-GFCCVEGCSA-N 318.333 -0.632 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)c2cc(=O)n(C)o2)C1 1042802603 MACRAJHMEZQLKU-UHFFFAOYSA-N 321.333 -0.915 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(O)CN(C(=O)c2cc[nH]c2C)C1 1042806332 FAXRZJCDYZZYGA-OAHLLOKOSA-N 321.377 -0.047 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(O)CN(C(=O)[C@H](O)C(C)C)C1 1042807459 TXRFKMZLOSJVMQ-OCCSQVGLSA-N 314.382 -0.980 30 20 DBED C=C(C)CCC(=O)N1CC(O)(CNC(=O)c2cnn(CC)n2)C1 1042903525 XPXZYXQIFDJKGT-UHFFFAOYSA-N 321.381 -0.043 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)CCS(C)(=O)=O)C1 1043779813 WIFBDCUOYSXMFY-UHFFFAOYSA-N 318.395 -0.923 30 20 DBED N#CCN1CC[C@@H](N2CCN(C(=O)CN3CCOCC3)CC2)C1 1046023003 YRQSYBCEPQSQMH-OAHLLOKOSA-N 321.425 -0.939 30 20 DBED C#CCCN1C[C@H]2C[C@H](NC(=O)Cn3cnnc3O)C[C@H]1C2 1047055009 KCEUDACISXAFNU-RWMBFGLXSA-N 303.366 -0.024 30 20 DBED C=CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC(=O)N(CC)C2)C1 1047401394 OYCQTOOQEXSIKI-IHRRRGAJSA-N 309.410 -0.066 30 20 DBED CN(C(=O)[C@@H]1C[C@H]1c1cnn(C)c1)[C@H]1CN(CC#N)C[C@@H]1O 1047537698 WNKSLZSSHBBINC-CRWXNKLISA-N 303.366 -0.449 30 20 DBED C#CCCCC(=O)N(C)[C@H]1CN(C(=O)[C@@H](C)NC(C)=O)C[C@@H]1O 1048750312 PNHCOQBGWMSXIK-XBFCOCLRSA-N 323.393 -0.655 30 20 DBED C=C[C@@](C)(O)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C#CC2CC2)C1 1048821495 PENLHQQWZSTYHI-GRDNDAEWSA-N 320.389 -0.243 30 20 DBED CC#CCN1C[C@@H]2CCCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)[C@@H]2C1 1050138665 PNGGIYQBQAPVMY-LJISPDSOSA-N 319.405 -0.035 30 20 DBED Cc1nnc2ccc(C(=O)NC[C@H]3COCCN3CC#N)cn12 1050990547 ICKVEKDETKZDFU-ZDUSSCGKSA-N 314.349 -0.008 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)c1nnn(CC)c1CC 1051111742 YBEHGHSGRXMLRF-GFCCVEGCSA-N 305.382 -0.076 30 20 DBED CN(C)CCn1cc(C(=O)NC[C@@H]2COCCN2CC#N)cn1 1051159550 MEVZDOGAGBLBJV-CQSZACIVSA-N 320.397 -0.601 30 20 DBED CC#CCN1CCOC[C@H]1CNC(=O)[C@@H]1CCN(C(C)=O)C1 1051225126 FCMVSYRZCDNGMZ-HUUCEWRRSA-N 307.394 -0.305 30 20 DBED N#CCN1CCN([C@H]2CCN(C(=O)CCc3cnn[nH]3)C2)CC1 1052086504 CNEWTHWLUXIBNN-AWEZNQCLSA-N 317.397 -0.521 30 20 DBED C#CCN1CC2(C1)CN(C(=O)[C@@H]1CC(=O)N[C@H](CC)C1)CCO2 1053356014 IRRVVRLPPWRQQT-UONOGXRCSA-N 319.405 -0.162 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)C3CCC(C(N)=O)CC3)CO2)C1 1053855660 SVBBPJHIASRWCQ-BPCQOVAHSA-N 320.393 -0.239 30 20 DBED C=CCN1CC2(C[C@H](NC(=O)[C@@H]3CCCN3C(N)=O)CO2)C1 1054024301 KZEVKXXCJYZWHE-RYUDHWBXSA-N 308.382 -0.325 30 20 DBED C=C(C)C[C@@H](C)C(=O)NC1CCN(CCNC(=O)C(N)=O)CC1 1055629732 IOLIHXOXEZDLDR-GFCCVEGCSA-N 324.425 -0.229 30 20 DBED COCCC(=O)N[C@@]1(CO)CCCN(C(=O)C#CC2CC2)C1 1055663423 JCOSITSRBDQOIY-INIZCTEOSA-N 308.378 -0.094 30 20 DBED Cc1nc(N2CCN(C(=O)CS(C)(=O)=O)CC2)ccc1C#N 1055734455 XGNLDYLAXBLDAM-UHFFFAOYSA-N 322.390 -0.045 30 20 DBED N#Cc1ccc(N2C[C@H]3[C@H](NC(=O)Cn4cccn4)[C@H]3C2)nn1 1056140654 KABBBGOZPCWEDQ-JYAVWHMHSA-N 309.333 -0.204 30 20 DBED Cn1nccc1CC(=O)NC1[C@H]2CN(c3cnc(C#N)cn3)C[C@H]12 1056174173 SKLVBEROGFRJEC-STQMWFEESA-N 323.360 -0.125 30 20 DBED C=C[C@](C)(CC)C(=O)NCCN(CCO)C(=O)CNC(N)=O 1056916513 XNVOANMOQMOFID-CQSZACIVSA-N 314.386 -0.806 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)[C@H]1CCO[C@@H]1C 1057194678 LCCJXRZKTVLDBB-OLZOCXBDSA-N 314.382 -0.449 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)[C@H](C)n1cncn1 1057439588 SONLOHLLCLKLDR-ZDUSSCGKSA-N 321.381 -0.420 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)[C@@H](C)CC(N)=O 1057444982 BIVQVDNULQDQRQ-LBPRGKRZSA-N 311.382 -0.762 30 20 DBED N#Cc1nc(=N[C@@H]2CCCN(C(=O)[C@H]3CCC(=O)N3)C2)cc[nH]1 1057600140 UPQAFXWKXGDDIT-GHMZBOCLSA-N 314.349 -0.548 30 20 DBED N#Cc1c[nH]c(C(=O)NCCN(CCO)C(=O)c2cnco2)c1 1058193323 OZMAOIZAJUQCLP-UHFFFAOYSA-N 317.305 -0.261 30 20 DBED C[C@H](C(=O)N[C@@H]1CCN(c2cnc(C#N)cn2)C1)n1cncn1 1058324764 SRVJLTNLKXGMDR-GHMZBOCLSA-N 312.337 -0.104 30 20 DBED N#Cc1cncc(N2CC[C@H](NC(=O)C[C@@H]3CCNC3=O)C2)n1 1058465742 YGJQYNYAUIYZQY-QWRGUYRKSA-N 314.349 -0.431 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)[C@]1(C)CCNC1=O 1058838642 HKNYSHGAJGYYSK-MRXNPFEDSA-N 323.393 -0.747 30 20 DBED C[C@H](C(=O)N1CC[C@H](N=c2cc[nH]cc2C#N)C1)S(C)(=O)=O 1059109447 MKFSUGGQKONTKB-PWSUYJOCSA-N 322.390 -0.179 30 20 DBED O=C1NC[C@H](C(=O)NCC[C@@H]2CCN(C(=O)C#CC3CC3)C2)N1 1059622737 OQWNXATVLTVVSZ-CHWSQXEVSA-N 318.377 -0.564 30 20 DBED N#Cc1nc(=N[C@H]2C[C@@H](NC(=O)C[C@@H]3CCC(=O)N3)C2)cc[nH]1 1059673027 YEMRUUHYSITZOD-GARJFASQSA-N 314.349 -0.502 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H]1CCCN(C(=O)CC(N)=O)C1 1060008493 AESVBQLSDFZCHH-LLVKDONJSA-N 301.350 -0.099 30 20 DBED COCCC(=O)NC[C@H]1COCCN1C(=O)c1cc(C#N)c[nH]1 1061160608 MAZPOUXCVWJWAP-LBPRGKRZSA-N 320.349 -0.120 30 20 DBED CC(C)(C)C#CC(=O)NC[C@@H]1COCCN1C(=O)CC(N)=O 1061575157 KUQQJMQXMJCFFV-LLVKDONJSA-N 309.366 -0.745 30 20 DBED N#Cc1ccc(N2CCO[C@H](CNC(=O)c3cocn3)C2)nn1 1063618663 DSWIYACFWFFOAF-LLVKDONJSA-N 314.305 -0.029 30 20 DBED Cn1ncc(C(=O)N[C@H]2[C@H]3C[C@H]2N(c2ccc(C#N)nn2)C3)n1 1064275132 MXBMETBTCWFRCH-KDDOJWQBSA-N 310.321 -0.516 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)[C@@]2(C)CCNC2=O)CCC1 1064540041 RSFJVHOKGLLXHZ-HZMBPMFUSA-N 306.366 -0.173 30 20 DBED C=CCO[C@@H](C)C(=O)NC[C@H]1CN(C(=O)COCC)CCO1 1064801373 QAPMLSSMLXRATK-STQMWFEESA-N 314.382 -0.042 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CN(C(=O)Cc2cc[nH]n2)CCO1 1065004444 CAUWSMGHJKVQGX-PWSUYJOCSA-N 305.338 -0.545 30 20 DBED CC(=O)NCC(=O)NC[C@H]1CN(C(=O)C#CC(C)C)CCO1 1065124963 SAOOTCZDTZODDC-ZDUSSCGKSA-N 309.366 -0.875 30 20 DBED O=C(CN1CCCC1)NC[C@@H]1CN(C(=O)C#CC2CC2)CCO1 1065137112 MMTQHTZEAQOJQQ-OAHLLOKOSA-N 319.405 -0.161 30 20 DBED C=CCOCC(=O)N1CCC[C@H](NC(=O)[C@@H]2CNC(=O)N2)CC1 1066458948 QQSOMQWGESLBBF-RYUDHWBXSA-N 324.381 -0.632 30 20 DBED N#Cc1cnccc1N1C[C@H](CNC(=O)c2ccncn2)[C@@H](O)C1 1067676434 PQAFJQQEIBFEDJ-WFASDCNBSA-N 324.344 -0.030 30 20 DBED C=C1CC(C)(C(=O)N2CC3(C[C@H](NC(=O)CC(N)=O)CO3)C2)C1 1068784610 SSCAAQQJNKXKHF-NSHDSACASA-N 321.377 -0.296 30 20 DBED CN(C(=O)[C@H]1CCNC1=O)C1CC(Nc2nccnc2C#N)C1 1069787857 GUHVWCJGRKTJGS-ILDUYXDCSA-N 314.349 -0.114 30 20 DBED C=CCOCC(=O)N1CCC[C@@H](NC(=O)[C@@H]2CCC(=O)N2)C1 1070551356 MWKUHVQBBVZHIQ-NEPJUHHUSA-N 309.366 -0.425 30 20 DBED C#CCOCCC(=O)N1CCC[C@@H](NC(=O)CC(=O)NC)C1 1070728088 GMUAKXNHJZQPKZ-GFCCVEGCSA-N 309.366 -0.730 30 20 DBED Cn1ncc(C(=O)N2C[C@H]3C[C@@H]4CN(CC#N)C[C@]3(C2)O4)c1N 1070790477 YGFHUHOMXFNVDB-UEKVPHQBSA-N 316.365 -0.559 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)[C@@H]2CCCN2C)CC1 1070945928 HBCPLMWOURTTLJ-AWEZNQCLSA-N 306.410 -0.636 30 20 DBED CC(=O)N1CC(C(=O)N2C[C@H](C)O[C@@]3(CCN(CC#N)C3)C2)C1 1071160009 VQOAIABTESOMQA-BLLLJJGKSA-N 320.393 -0.320 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(C(=O)Cn2cccn2)C[C@H]1C 1071598970 GPSXRAFAKKCNAE-ZIAGYGMSSA-N 318.377 -0.114 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)Cn2nccn2)C[C@@H]1C 1072184166 RLZLZTWNNVGFOS-NWDGAFQWSA-N 307.354 -0.556 30 20 DBED C#CCN1C[C@@H]2CCN(C(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)[C@@H]2C1 1076236908 JDZBMFYMPOJGSL-LJISPDSOSA-N 319.405 -0.212 30 20 DBED C[C@@H](CCNC(=O)c1cnn[nH]1)NC(=O)c1c[nH]c(C#N)c1 1077294517 XAGWGJQNKZTVTI-QMMMGPOBSA-N 301.310 -0.057 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN2C(=O)C2CC2)C1 1077792632 SNYZSHZPJGPHAD-HZSPNIEDSA-N 307.394 -0.265 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)C(C)(C)c2cnn(C)c2)C1 1077915033 YROKQZVSMSMTMJ-ZIAGYGMSSA-N 304.394 -0.118 30 20 DBED C=C(C)CN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)CN1CCNC(=O)C1)C2 1079013081 SQUJCTVHHBVCPY-RBSFLKMASA-N 320.437 -0.037 30 20 DBED C#CCOCCC(=O)N1CC(N(CC)C(=O)c2cnn[nH]2)C1 1080066069 SKISVHMDVKGFPL-UHFFFAOYSA-N 305.338 -0.483 30 20 DBED CC#CCN1C[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)[C@H](C)C1 1080908145 XZSLGPTZTGYTGC-VXGBXAGGSA-N 306.366 -0.660 30 20 DBED C#Cc1ccc(C(=O)N2C[C@H](CNC(=O)COC)[C@@H](O)C2)nc1 1081180375 DLZWLRBPGGXPAG-JSGCOSHPSA-N 317.345 -0.742 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@H](CNC(=O)Cn2cccn2)C1 1081253798 KRXNJAPJMFYYCE-CHWSQXEVSA-N 322.365 -0.979 30 20 DBED C=C1CC(C)(C(=O)NC[C@H]2CN(C(=O)c3cnn[nH]3)C[C@@H]2O)C1 1081750500 WFROEQWHAMEIOQ-JQWIXIFHSA-N 319.365 -0.290 30 20 DBED C=CCN1C[C@@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)[C@H](OC)C1 1082300053 APIQHSNRDGOODC-GHMZBOCLSA-N 324.381 -0.682 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)c2ccnc(N(C)C)c2)C1 1083827850 OMSNRMCZSCHBJH-KGLIPLIRSA-N 302.378 -0.054 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)c2ccc(-n3ccnc3)nn2)C1 1083857957 CWEYYIJTABVMLL-OLZOCXBDSA-N 314.349 -0.377 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)c2ccc(=O)n(CC)n2)C1 1083871472 RNWDVBOPWSDUOI-OLZOCXBDSA-N 304.350 -0.939 30 20 DBED N#CCN1CC[C@@H]2CN(C(=O)c3ccc(-n4cnnn4)cn3)[C@@H]2C1 1084545126 XVNLHBWNHJLMIM-BXUZGUMPSA-N 324.348 -0.273 30 20 DBED C=C(C)CN[C@H]1C[C@@H](CNC(=O)c2cn(C)c(=O)n(C)c2=O)C1 1086214440 VRPJXWAGDGGTLT-TXEJJXNPSA-N 320.393 -0.242 30 20 DBED CCN(c1ccnc(C#N)n1)[C@H](C)CNC(=O)[C@H]1CCNC1=O 1089722530 BXNFUORHGZJHKU-MNOVXSKESA-N 316.365 -0.185 30 20 DBED COCCn1ncc(C(=O)N[C@H]2CCN(CC#N)C[C@@H]2O)c1C 1090259321 TYJXSMYTVATHRA-KBPBESRZSA-N 321.381 -0.474 30 20 DBED C#CCN1CC[C@H](NC(=O)Cn2cccc(C)c2=O)[C@H](O)C1 1090266380 UTBKNNHPEYHBOM-UONOGXRCSA-N 303.362 -0.659 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2cccc3ncnn23)[C@H](O)C1 1090402413 HQPUXAKVLLGFSR-GXTWGEPZSA-N 313.361 -0.082 30 20 DBED CC(C)(O)CC(=O)N[C@@H]1CN(c2ncc(C#N)cc2F)C[C@H]1O 1090413548 TXWAHPCHBZQVLJ-VXGBXAGGSA-N 322.340 -0.081 30 20 DBED Cn1cnc2cc(C(=O)N[C@H]3CCN(CC#N)C[C@H]3O)cnc21 1090477355 VKEYRPPXUFQGCX-WCQYABFASA-N 314.349 -0.343 30 20 DBED C=CCCn1cc(C(=O)N[C@H]2CCN(CCCO)C[C@H]2O)nn1 1090637629 LJTPERCTDGBOJY-GXTWGEPZSA-N 323.397 -0.598 30 20 DBED N#CCN1CC[C@H](NC(=O)c2ccc(C(N)=O)cc2)[C@H](O)C1 1090803148 XSSNHGOXYNAMSD-QWHCGFSZSA-N 302.334 -0.526 30 20 DBED C=CCN1CC2(C[C@H](NC(=O)[C@H]3CCNC3=O)c3nccn32)C1 1092384805 LZUNZXOVWOAGBF-RYUDHWBXSA-N 315.377 -0.223 30 20 DBED CN(C)CCC(=O)NC1[C@H]2CN(c3ccnc(C#N)n3)C[C@H]12 1093340690 ABJMJCBSODDZMY-QWRGUYRKSA-N 300.366 -0.149 30 20 DBED Cc1cc(=NCCNC(=O)CN2C(=O)CCC2=O)c(C#N)c[nH]1 1093625186 BLWGSNOMBASULY-UHFFFAOYSA-N 315.333 -0.639 30 20 DBED N#Cc1ccc(NCCNC(=O)[C@@H]2CCNC(=O)CC2)nn1 1094024015 KRAYFURWWBKFDK-JTQLQIEISA-N 302.338 -0.207 30 20 DBED CC#CCN1CCN(C(=O)C(C)(F)F)[C@@H]2CS(=O)(=O)C[C@@H]21 1094601078 ACZSLNPGMFLCPH-WDEREUQCSA-N 320.361 -0.025 30 20 DBED CC#CCN1CCN(C(=O)c2ccon2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094609801 MGSIZWFBHQCLKX-QWHCGFSZSA-N 323.374 -0.379 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)[C@@H]3CCO[C@H]3C=C)CC2=O)C1 1094789062 WCBAXLSVHNRDFB-CFVMTHIKSA-N 317.389 -0.388 30 20 DBED CN(C)C(=O)CC(=O)N1CC[C@H](N(C)c2nccnc2C#N)C1 1095156032 JBJUVXOUTSYYLP-NSHDSACASA-N 316.365 -0.136 30 20 DBED C=CCOCC(=O)NC1CCN(c2ccc3nnnn3n2)CC1 1095402335 LJYOGNORGSFMQX-UHFFFAOYSA-N 317.353 -0.193 30 20 DBED CNC(=O)NCC(=O)NCCCN(C)c1cncc(C#N)n1 1095762663 CLXONIZESODVCM-UHFFFAOYSA-N 305.342 -0.780 30 20 DBED CN(C)C(=O)CC(=O)N[C@H]1C[C@H](N=c2cc[nH]c(C#N)n2)C1 1097106315 OCDHNBCQDPJEQZ-MGCOHNPYSA-N 302.338 -0.692 30 20 DBED CC(C)(C(N)=O)C(=O)N[C@H]1C[C@@H](Nc2ccc(C#N)nn2)C1 1097227597 JVWOQOGWTIIOMV-AOOOYVTPSA-N 302.338 -0.081 30 20 DBED N#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1ccc(S(N)(=O)=O)o1 1097428256 RVMCISQMPZMAMB-BBBLOLIVSA-N 324.362 -0.214 30 20 DBED C[C@@H](CNC(=O)C[C@H]1CCC(=O)N1)Nc1ccc(C#N)nn1 1097950731 VBUAZQQTIKNYLO-VHSXEESVSA-N 302.338 -0.066 30 20 DBED C[C@@H](CNC(=O)COCCN(C)C)Nc1cnc(C#N)cn1 1097953952 MRNNVFCRDJIJKB-NSHDSACASA-N 306.370 -0.157 30 20 DBED C#CCCN(CCO)C1CCN(C(=O)[C@@H](C)CC(N)=O)CC1 1098447431 KNXXUHSYULEYJS-ZDUSSCGKSA-N 309.410 -0.194 30 20 DBED CC#CCN(CCO)C1CCN(C(=O)[C@@H]2CCNC2=O)CC1 1098448878 VHNIOJXCDCTGQM-CQSZACIVSA-N 307.394 -0.569 30 20 DBED COCCOCCN1CC[C@@H](NC(=O)C#CC(C)C)[C@H](O)C1 1099821152 QCVXAHZOMXTZFT-HUUCEWRRSA-N 312.410 -0.140 30 20 DBED O=C(C#CC1CC1)N[C@H]1CCN(CCN2CCCC2=O)C[C@@H]1O 1099827325 VRECKVVZYUSBNS-GJZGRUSLSA-N 319.405 -0.426 30 20 DBED Cn1nnc(CN2CC[C@@H](NC(=O)C#CC(C)(C)C)[C@@H](O)C2)n1 1099829011 BVFNDKIDIVTJIW-NEPJUHHUSA-N 320.397 -0.689 30 20 DBED C=C(C)CCC(=O)N[C@H]1CCN(CCS(C)(=O)=O)C[C@@H]1O 1099856319 VJZRHZNHZHVWDE-STQMWFEESA-N 318.439 -0.061 30 20 DBED CC#CCN1CC[C@H](NC(=O)COC2CCOCC2)[C@@H](O)C1 1100024726 OSHGCNUFJRSXJN-GJZGRUSLSA-N 310.394 -0.243 30 20 DBED CCN(CC)CC(=O)N[C@@H]1CCN(CC#CCOC)C[C@@H]1O 1100049280 ZWOYYEAPKNQCTR-CABCVRRESA-N 311.426 -0.471 30 20 DBED COC[C@@]1(C(=O)NCCN(C)c2cncc(C#N)n2)CCOC1 1100238918 XQYLCPMGGYXEGQ-HNNXBMFYSA-N 319.365 -0.046 30 20 DBED CCN(CCNC(=O)CS(C)(=O)=O)c1ccnc(C#N)n1 1100470621 VTFVWVWHCWXFHA-UHFFFAOYSA-N 311.367 -0.665 30 20 DBED C[C@@]12CN(CC(=O)NCC#N)C[C@@H]1CN(C(=O)c1cocn1)C2 1101174578 ZRHBVDFMFGILQM-ABAIWWIYSA-N 317.349 -0.292 30 20 DBED C#CCN1C[C@@H]2CN(C(=O)CCS(=O)(=O)NC)C[C@]2(C)C1 1101237585 ZBSMTAWQDMPVTM-OCCSQVGLSA-N 313.423 -0.661 30 20 DBED Cc1cc(C#N)nc(NCCN(C)C(=O)CS(C)(=O)=O)n1 1101523940 YCABHJPTIBWZFX-UHFFFAOYSA-N 311.367 -0.428 30 20 DBED COCC#CCN1C[C@@H](C)[C@H](CNC(=O)[C@H](C)NC(C)=O)C1 1101701575 BTGYGRAXBXFZTH-VNHYZAJKSA-N 309.410 -0.155 30 20 DBED C#CCO[C@H](C)C(=O)N(C)CCNc1ccc2nnnn2n1 1101781183 GNAGURJGOQZIRE-SNVBAGLBSA-N 303.326 -0.572 30 20 DBED CCN1CCOC[C@H]1C(=O)N(C)CCNc1nccnc1C#N 1101844507 DOFCUSIZYWURQB-ZDUSSCGKSA-N 318.381 -0.061 30 20 DBED N#Cc1ccc(N2CC[C@@H](CCNC(=O)CC(N)=O)C2)nn1 1102308147 FOABJOLRGPIWCG-SNVBAGLBSA-N 302.338 -0.444 30 20 DBED CNC(=O)NCC(=O)N(C)[C@@H]1CCN(c2ccc(C#N)cn2)C1 1102766748 IQQXOFZCEWTYQQ-GFCCVEGCSA-N 316.365 -0.081 30 20 DBED CC[C@@H](CNC(=O)[C@H]1CCC(=O)N1)Nc1cnc(C#N)cn1 1102992423 RUFQZEPQKIACJO-GXSJLCMTSA-N 302.338 -0.066 30 20 DBED C[C@H](CNC(=O)[C@H]1CNC(=O)N1)CNc1ccc(C#N)cn1 1104183637 MKWRABANUAMZPJ-GXSJLCMTSA-N 302.338 -0.201 30 20 DBED Cc1cc(C(=O)N2CC(n3cc(CNCC#N)nn3)C2)no1 1105150578 LQWPFTPJNKAEKW-UHFFFAOYSA-N 301.310 -0.115 30 20 DBED CC#CCN[C@@H]1C[C@]2(C[C@H]1O)CN(C(=O)C(N)=O)[C@@H]2C(C)C 1105653416 UPPKIGUAZZWYCF-JXFSHQFZSA-N 307.394 -0.539 30 20 DBED N#Cc1nc(=NC[C@H](O)CNC(=O)CC2CCOCC2)cc[nH]1 1105762679 UJIQUMLISCIFED-LBPRGKRZSA-N 319.365 -0.524 30 20 DBED CO[C@@H](C)CC(=O)NC[C@H](O)CNc1nc(C)cc(C#N)n1 1105782493 MUIQHGAUVRHKHH-JQWIXIFHSA-N 307.354 -0.029 30 20 DBED CNC(=O)CCCC(=O)NC[C@H](O)CNc1nccnc1C#N 1105795298 XXFUAGNPLCZFRM-JTQLQIEISA-N 320.353 -0.846 30 20 DBED COCC[C@H](C)C(=O)NC[C@H](O)CNc1ccc(C#N)nn1 1105860134 PZBRCMNHSOZCIU-CMPLNLGQSA-N 307.354 -0.090 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)CN2CCN(C)C(=O)C2)C[C@H]1C 1106343303 YDIZJTIYIZFKCN-HUUCEWRRSA-N 320.437 -0.532 30 20 DBED C[C@@H](CCNc1cncc(C#N)n1)NC(=O)Cn1ncnn1 1106454281 HGHHSFVOSMQFCK-VIFPVBQESA-N 301.314 -0.658 30 20 DBED C#CCN1CC(n2cc(CNC(=O)C(C)(C)NC(C)=O)nn2)C1 1107221057 DFLCKJDWCRLQHU-UHFFFAOYSA-N 318.381 -0.701 30 20 DBED C=C(C)CN1CCO[C@@](C)(CNC(=O)CN2CC(=O)NC2=O)C1 1108283367 ATPABEHTEHMHTK-HNNXBMFYSA-N 324.381 -0.679 30 20 DBED C[C@@H](CN=c1cc[nH]cc1C#N)NC(=O)c1cc(=O)n(C)o1 1108335613 DYBCDTNWHHJPKF-VIFPVBQESA-N 301.306 -0.103 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)[C@@H]2CCc3nn[nH]c3C2)C1 1108340744 IXQGPSQQMWAZEN-MLGOLLRUSA-N 317.393 -0.250 30 20 DBED CCn1nncc1C(=O)N[C@@H](C)CN=c1cc[nH]c(C#N)n1 1108349188 YSFNFDRCNPYXDU-VIFPVBQESA-N 300.326 -0.388 30 20 DBED C=CCOCCN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1cnnn1)C2 1108613520 FPIVRBNTJHQQKI-MJBXVCDLSA-N 320.397 -0.155 30 20 DBED C=CCN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CNS(=O)(=O)NC)C2 1108734360 RJIQOPUMEMIYHP-TUAOUCFPSA-N 316.427 -0.805 30 20 DBED CNC(=O)C1(C(=O)N[C@@H](C)CN(C)c2ccnc(C#N)n2)CC1 1109018644 QBWXIBKUCKMFNG-JTQLQIEISA-N 316.365 -0.185 30 20 DBED Cc1cc(C#N)nc(N(C)C[C@H](C)NC(=O)[C@@H]2CCNC2=O)n1 1109205637 MYDBRNOVNPRIBE-CMPLNLGQSA-N 316.365 -0.266 30 20 DBED C[C@@H](CN(C)c1cnc(C#N)cn1)NC(=O)[C@H]1CCNC1=O 1109206519 WWWBCALZUBMSJU-ONGXEEELSA-N 302.338 -0.575 30 20 DBED CNC(=O)CC(=O)N1C[C@@H]2CN(c3ccncc3C#N)C[C@@H]2C1 1111293147 XVSRFRBUSMMIHT-BETUJISGSA-N 313.361 -0.016 30 20 DBED Cc1nc[nH]c1C(=O)N(CCO)CCNc1nccnc1C#N 1111487847 KIGCWKHIOYZMAD-UHFFFAOYSA-N 315.337 -0.074 30 20 DBED COC[C@H](C)C(=O)N[C@]12CCC[C@H]1CN(CC(=O)NCC#N)C2 1111658233 ZEHLWOUZUXKVSW-XEZPLFJOSA-N 322.409 -0.121 30 20 DBED N#Cc1nccnc1NC1(CNC(=O)[C@H]2CNC(=O)N2)CCC1 1111890998 UFMKZVHPPISUCI-SNVBAGLBSA-N 315.337 -0.520 30 20 DBED N#Cc1cncc(N2CCC[C@H](NC(=O)CNC(N)=O)CC2)n1 1111966763 YDLHCMNALLUNKM-JTQLQIEISA-N 317.353 -0.508 30 20 DBED CN(CCCN(C)c1cncc(C#N)n1)C(=O)Cn1nccn1 1112129866 LOZVHUUIHPGWSZ-UHFFFAOYSA-N 314.353 -0.075 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(CC(=O)NCC(F)(F)F)CC1 1112711641 KMKOPDDIZBXATF-VIFPVBQESA-N 306.288 -0.031 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)[C@@H](C)NC(=O)CC)CC1 1112880069 MDPXQUYWXYWPAX-OLZOCXBDSA-N 324.425 -0.264 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2c(C)ncn2C)CC1 1112987550 MVZXGCIZVPOWLU-UHFFFAOYSA-N 303.366 -0.764 30 20 DBED CNC(=O)NCC(=O)N[C@@H](C)[C@@H](C)Nc1ccc(C#N)nn1 1113350645 WSOWUWVETGIGHM-BDAKNGLRSA-N 305.342 -0.418 30 20 DBED CCC(=O)NCC(=O)NC[C@H](C)N(C)c1nccnc1C#N 1113536978 FIMAHRMZRJHFPH-JTQLQIEISA-N 304.354 -0.185 30 20 DBED Cc1cc(C#N)nc(N(C)[C@H](C)CNC(=O)Cn2cncn2)n1 1113609348 IRYSFTGSGFISCF-LLVKDONJSA-N 314.353 -0.111 30 20 DBED COCC#CCN1CCN(C(=O)c2cc(C(N)=O)ccn2)CC1 1113745423 AUALERKSBUPKFA-UHFFFAOYSA-N 316.361 -0.412 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@@H]2CN(C[C@H]3CCOC3)C[C@@H]12 1114170105 MLZZGHNYJDUZCY-JHJVBQTASA-N 305.378 -0.791 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@H]1[C@@H]2CN(Cc3cnnn3C)C[C@@H]21 1114193886 IPEKTPRDXKXZPH-PAPYEOQZSA-N 305.382 -0.311 30 20 DBED C=C[C@](C)(O)CC(=O)NC1[C@H]2CN(CC(=O)N(C)CC)C[C@H]12 1114194714 UQJQVNRZSWOJNE-MKBNYLNASA-N 309.410 -0.162 30 20 DBED C#CCOCCC(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC(C)C)C[C@@H]21 1114267982 CPNGUJTXMZMKKO-HALDLXJZSA-N 321.421 -0.155 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H]1[C@@H]2CN(Cc3cnnn3CC)C[C@@H]21 1114271235 RIRMQSIHRGSCOH-SPWCGHHHSA-N 317.393 -0.117 30 20 DBED C=CCCCN1C[C@H]2[C@H](NC(=O)CN3CCOCC3=O)[C@H]2C1 1114412108 QIYAMRTWTUEFMK-VIKVFOODSA-N 307.394 -0.142 30 20 DBED C=CCOCCN1C[C@H]2C(NC(=O)c3cnc(O)n3C)[C@@H]2C1 1114665483 IMSISSSXFCHGKG-GHMZBOCLSA-N 306.366 -0.012 30 20 DBED CCc1ncoc1C(=O)NC1[C@H]2CN(CC(=O)NCC#N)C[C@H]12 1114805962 NBTSANGEJHWRSF-UWVGGRQHSA-N 317.349 -0.463 30 20 DBED CNC(=O)NCC(=O)N[C@H]1C[C@H](CNc2nccnc2C#N)C1 1114821151 YPXPIFZXNZNHQF-MGCOHNPYSA-N 317.353 -0.416 30 20 DBED C=CCN1C[C@H]2C(NC(=O)CCNC(=O)c3cnccn3)[C@@H]2C1 1115261675 VWPNJSDWYHDAIE-VXGBXAGGSA-N 315.377 -0.171 30 20 DBED Cc1cc(=N[C@H](CO)CNC(=O)[C@H]2CCCOC2)c(C#N)c[nH]1 1121205344 OCDBGTWCLJWHEJ-JSGCOSHPSA-N 318.377 -0.001 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H](CO)CNC(=O)Cc1ccon1 1121256716 FDIUYSZSJILOLK-GFCCVEGCSA-N 301.306 -0.505 30 20 DBED CCn1ncc(C(=O)NC[C@H](CO)Nc2cnc(C#N)cn2)n1 1121472228 POLMBVKPKZSYEF-SNVBAGLBSA-N 316.325 -0.838 30 20 DBED CC[C@@H](C(=O)NC[C@@H](CO)N=c1cc[nH]cc1C#N)N(C)C 1121812045 IPVIBKPPVDJDIM-JSGCOSHPSA-N 305.382 -0.396 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H](CO)N=c1cc[nH]cc1C#N 1122037511 XJEBROIZDCEGRZ-AAEUAGOBSA-N 302.334 -0.698 30 20 DBED N#Cc1cccnc1N[C@H](CO)CNC(=O)[C@@H]1CCC(=O)NC1 1122827619 DERIJOALWNWNKF-NEPJUHHUSA-N 317.349 -0.632 30 20 DBED COCCOCC(=O)N(C)C[C@@H](O)CN=c1cc[nH]cc1C#N 1124190500 HPRPMMLSAJZRBJ-ZDUSSCGKSA-N 322.365 -0.731 30 20 DBED COCCOCC(=O)N(C)C[C@H](O)CNc1ncccc1C#N 1124192294 UDMFCBISZMGYES-CYBMUJFWSA-N 322.365 -0.153 30 20 DBED CN(C[C@H](O)CNc1ccc(C#N)cn1)C(=O)CCNC(N)=O 1124369459 BODONEXOWXKTQG-LLVKDONJSA-N 320.353 -0.757 30 20 DBED CN(C[C@@H](O)CNc1cncc(C#N)n1)C(=O)[C@@H]1[C@H]2COC[C@H]21 1124654731 VTUVYAMXJDWQSZ-CIQGVGRVSA-N 317.349 -0.528 30 20 DBED CC#CCN1CCn2ncc(CNC(=O)CN(C)C(C)=O)c2C1 1128218651 YEIXDMGKKUYVSZ-UHFFFAOYSA-N 317.393 -0.184 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCN[C@H](C)C(=O)NC1CC1 1129791120 SUESZIHZRHMVPH-OCCSQVGLSA-N 306.410 -0.543 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@@H]1CCc2cncn2C1 1130484049 CXTSAQNNIDUDLM-GFCCVEGCSA-N 305.382 -0.547 30 20 DBED C=CCN[C@@H]1CN(C(=O)CNC(=O)NC)C[C@H]1c1cn(C)cn1 1130604541 GVBGCXBRKICEQO-WCQYABFASA-N 320.397 -0.581 30 20 DBED Cn1cncc1[C@@H]1CN(C(=O)CSCC#N)C[C@H]1NCCO 1130915285 HHLUKHUHISCMLP-VXGBXAGGSA-N 323.422 -0.447 30 20 DBED C[C@@H]1CN(C(=O)COCCN(C)C)C[C@]2(CCN(CC#N)C2)O1 1131693536 QHBBULKQHGNWNH-GDBMZVCRSA-N 324.425 -0.220 30 20 DBED C#CCNC[C@@H]1CN(C(=O)CCNC(=O)COC)CC[C@H]1C 1132875165 UIWXRTKHUNAMHY-ZIAGYGMSSA-N 309.410 -0.154 30 20 DBED C#CCNC[C@H]1CN(C(=O)Cn2ccc(O)nc2=O)CC[C@H]1C 1132959605 NNKPMRHFHWJEJH-OLZOCXBDSA-N 318.377 -0.344 30 20 DBED C#CCOCCC(=O)N[C@H](C)C[C@@H](C)NCc1nnn(C)n1 1134352894 UKCXGTCKPVWCFD-VXGBXAGGSA-N 308.386 -0.377 30 20 DBED C=CCNC(=O)CN1CCC2(C1)CN(C(=O)c1csnn1)C2 1147997771 SJONKACRVLHZDS-UHFFFAOYSA-N 321.406 -0.012 30 20 DBED COCC#CCN1CCCO[C@H](CNC(=O)Cc2cc[nH]n2)C1 1149465735 FMOHWWORMDBCHW-OAHLLOKOSA-N 320.393 -0.191 30 20 DBED O=C(CN1C(=O)CCC1=O)NCCNCC#Cc1ccccc1 1150473448 RJQLLUMBSAAPRG-UHFFFAOYSA-N 313.357 -0.107 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)CNC(=O)C(C)(C)C)C1 1150698761 AVHBOTFHJQXNBW-CYBMUJFWSA-N 309.410 -0.011 30 20 DBED C=CCCOCC(=O)NC[C@@H]1CN([C@@H](C)C(N)=O)CCCO1 1150803880 VAVTZYVIJBJXFT-QWHCGFSZSA-N 313.398 -0.340 30 20 DBED O=C(CC#Cc1ccccc1)NCCN[C@H]1CCC(=O)NC1=O 1151952940 MTGLWFPAHAOQPC-AWEZNQCLSA-N 313.357 -0.061 30 20 DBED C=CCOCC(=O)NCCCNCCOCCNC(C)=O 1155707341 HSPIGJGAQDELAF-UHFFFAOYSA-N 301.387 -0.562 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)[C@@H]2CN(C)CCO2)C1=O 1156146004 RSNAXHIRKNRBAD-KGLIPLIRSA-N 324.425 -0.800 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)Cc1cnc(C)o1 1159814514 VACVLYIKYXXFQT-LLVKDONJSA-N 306.366 -0.241 30 20 DBED CC(C)(O)CC(=O)NCCC1=CCN(CC(=O)NCC#N)CC1 1159979911 WSWRZDQQMQUSEL-UHFFFAOYSA-N 322.409 -0.074 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@@H]1CC(=O)N[C@H](CC)C1 1163079657 HCECYDKYJXASGP-QWHCGFSZSA-N 322.409 -0.864 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1cnn2cccnc12 1163722769 CLHRTPRBXBTXQG-UHFFFAOYSA-N 314.349 -0.812 30 20 DBED C#CCNCCCC[C@H](C)NC(=O)CCCS(N)(=O)=O 1174978279 JQHIHZOZKVVBBM-LBPRGKRZSA-N 303.428 -0.047 30 20 DBED C=CCNCCCC[C@H](C)NC(=O)CNS(=O)(=O)N(C)C 1175503446 PQYIYUNELRICNQ-LBPRGKRZSA-N 320.459 -0.167 30 20 DBED C=CCn1cc(C(=O)N[C@@H](C)CCCCNCC(N)=O)nn1 1175622039 SKRDVKYWFMMLCF-NSHDSACASA-N 308.386 -0.172 30 20 DBED CC#CCN1CCO[C@@H]2CCN(C(=O)CC(=O)N(C)C)C[C@@H]21 1177106998 LGRKRVLJKGKGTG-UONOGXRCSA-N 307.394 -0.210 30 20 DBED COCC#CCN1CCO[C@@H]2CCN(C(=O)c3nc[nH]n3)C[C@H]21 1177119132 NDWVVPLIYBZTMT-CHWSQXEVSA-N 319.365 -0.630 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)Cc2ccnn2C)[C@H]1C 1178587757 VHZUZFQAPBQHNK-JSGCOSHPSA-N 317.393 -0.709 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)COCC2CC2)C1 1181177066 IFQKCNMCBWAFMF-TZMCWYRMSA-N 307.394 -0.259 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2cnnn2CC)C1 1182335979 HMJWSEBOGSBDIR-VXGBXAGGSA-N 320.397 -0.207 30 20 DBED COCC#CCN(C)[C@@H]1CCN(C(=O)[C@H]2CN(C)CCO2)C1 1189516623 JNJXXUSVWSKHSG-HUUCEWRRSA-N 309.410 -0.501 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)c2cccn2C)C1 1191033489 JXLKCALACHGWFF-OUCADQQQSA-N 320.393 -0.509 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)c2cc(C)no2)CC1 1199297246 DXOSFZVKAKLSOE-UHFFFAOYSA-N 304.350 -0.073 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CCN(C(=O)c2ncn(C)n2)CC1 1200390028 RFNGXQIQIGHUDZ-LLVKDONJSA-N 318.381 -0.853 30 20 DBED C#CCNC[C@H]1CN(C(=O)[C@@H](C)S(C)(=O)=O)CCCO1 1200814584 KDNVQQKVNDOPNI-NEPJUHHUSA-N 302.396 -0.740 30 20 DBED N#CCNC[C@H]1CN(C(=O)c2cc(C(N)=O)co2)CCCO1 1201395767 OBJGTEOABPTHRS-NSHDSACASA-N 306.322 -0.277 30 20 DBED C=CCCNC[C@H]1CN(C(=O)CN2C(=O)CNC2=O)CCCO1 1202013904 OAPFOFGHQKAOGA-LBPRGKRZSA-N 324.381 -0.679 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)c2cnn(C)n2)CC1 1202926180 RIBSMKXGQRDNLM-UHFFFAOYSA-N 306.370 -0.689 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)Cc2ccon2)[C@H](C)C1 1206720769 KJHOUNDPPBAKND-DGCLKSJQSA-N 306.366 -0.044 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(CCn2cncn2)C[C@H]1OC 1213964444 XEDWHKRWHCPKIT-ZIAGYGMSSA-N 323.397 -0.314 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)c2csc(O)n2)C1 1220178352 IEDMYYLVQFWSAW-KOLCDFICSA-N 311.363 -0.727 30 20 DBED C=CCOCC(=O)N1C[C@H]2CCN(CC(=O)N3CCC3)C[C@H]21 1221443392 ZZQGKBVZILSDLQ-ZIAGYGMSSA-N 307.394 -0.046 30 20 DBED CNC(=O)NCC(=O)N1C[C@H]2CCN(CC#CCOC)C[C@H]21 1221597061 IFIKYYGQVNPLBN-CHWSQXEVSA-N 308.382 -0.902 30 20 DBED COCC#CCN1CC[C@@H]2CN(C(=O)[C@@H]3CCN(C)C3=O)[C@@H]2C1 1221750408 DYMRLYYOSOFEEA-RBSFLKMASA-N 319.405 -0.353 30 20 DBED Cc1cnn(CC(=O)NC2CCN(CC(=O)NCC#N)CC2)c1 1226308491 GAAHZROLNZCVIZ-UHFFFAOYSA-N 318.381 -0.588 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC(NC(=O)c2ncn(C)n2)CC1 1227182926 GYYLBFWVHICMIB-LLVKDONJSA-N 318.381 -0.853 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC(NC(=O)c2ccnnc2)CC1 1229337174 JHGWZGAPVJTAFM-GFCCVEGCSA-N 315.377 -0.191 30 20 DBED Cc1cc(C(=O)N(C)C[C@@H]2CCN2CC(=O)NCC#N)no1 1230704731 DEBHUWZNUQTOOL-NSHDSACASA-N 305.338 -0.231 30 20 DBED C#Cc1cccc(NC(=O)CNC(=O)CCNC(=O)COC)c1 1318499801 PUOZALCMHXHYFN-UHFFFAOYSA-N 317.345 -0.125 30 20 DBED COC(=O)C(C)(C)CNC(=O)C(=O)Nc1cnn(CC#N)c1 1319440206 ZEGMOTVSIWXMFR-UHFFFAOYSA-N 307.310 -0.339 30 20 DBED C[C@H]1CCCN(CCNC(=O)C(=O)N2CCO[C@@H](C#N)C2)C1 1321509000 NMJRBKZQNPFVKN-STQMWFEESA-N 308.382 -0.415 30 20 DBED C=C(C)COCCNC(=O)C(=O)N[C@@H](C)[C@H]1CN(C)CCO1 1323863310 KYPZAYSLAKRONL-QWHCGFSZSA-N 313.398 -0.469 30 20 DBED O=C(Cn1nc2n(c1=O)CCCCC2)N[C@@H]1CCCN(O)C1=O 1327114390 XFLNCORPNWBFBR-SNVBAGLBSA-N 323.353 -0.732 30 20 DBED C=CCn1cc(CNC(=O)c2cn(CCCCN)nn2)nn1 1327856721 QBYWQFHWDWXBPW-UHFFFAOYSA-N 304.358 -0.276 30 20 DBED C=C[C@H](CO)NC(=O)c1cc(OC)c(OCC(N)=O)c(OC)c1 1328433011 TWVVQXTXMPHPFI-SNVBAGLBSA-N 324.333 -0.155 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N[C@@H]1CC(=O)N(C(C)C)C1 1331207432 KHJFLVOBKZEZLP-QWHCGFSZSA-N 323.393 -0.344 30 20 DBED N#Cc1ccc(CCNC(=O)C(=O)NC[C@H]2COCCN2)cc1 1331753967 MSJKNHIHIAYIHW-AWEZNQCLSA-N 316.361 -0.678 30 20 DBED C=C[C@@H]1CCCCN1C(=O)C(=O)N[C@@H]1CCS(=O)(=O)C1 1334808293 OCZGGPLVKPALFH-GHMZBOCLSA-N 300.380 -0.143 30 20 DBED CC1(C)CN(C(=O)C(=O)N2CCC[C@H](C#N)C2)C[C@H](CO)O1 1335045379 IQQIOCBDYXKBPR-VXGBXAGGSA-N 309.366 -0.253 30 20 DBED C#CCN1CCN(c2nnc([C@H]3CCC(=O)NC3)n2C)CC1 1341489293 PSSGZHYOMHSXRI-LBPRGKRZSA-N 302.382 -0.436 30 20 DBED C=C(CC)CNC(=O)C(=O)NCCC(=O)N1CCN(C)CC1 1348735005 IWTSTNONBPBZPA-UHFFFAOYSA-N 310.398 -0.651 30 20 DBED C#CCOCCN(C)C(=O)CN(C)[C@@H]1CCS(=O)(=O)C1 1349902128 OHJYLWSDPLNIAH-GFCCVEGCSA-N 302.396 -0.787 30 20 DBED N#C[C@H]1CC[C@@H](NC(=O)C(=O)N2CC[C@@H]3NC(=O)CC[C@H]3C2)C1 1350875513 ZYNUEKXWFGHCSM-RVMXOQNASA-N 318.377 -0.078 30 20 DBED C=CCNC(=O)Cn1nnnc1N1CCC[C@@H](CCO)CC1 1352313586 AXUHTSOAKCICNE-GFCCVEGCSA-N 308.386 -0.036 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2[C@H](C)CN[C@H](C)[C@H]2C)C1=O 1358176516 OYCIFVGHLYMZSB-GMTAPVOTSA-N 322.365 -0.440 30 20 DBED CNC(=O)Cn1cc(NC(=O)CNc2ccc(C#N)cn2)cn1 1361939466 FJZKKBPMLITZST-UHFFFAOYSA-N 313.321 -0.054 30 20 DBED C=C(Br)CNC(=O)c1c[nH]nc1S(N)(=O)=O 1361982751 SQGWUDBIIWFRQQ-UHFFFAOYSA-N 309.145 -0.305 30 20 DBED CO[C@@H]1CCC[C@@H]1CNC(=O)Cn1cc(C#N)c(O)nc1=O 1362284147 IORGFRFZBALJBR-MWLCHTKSSA-N 306.322 -0.248 30 20 DBED CC[C@@H](C)N1CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)CC1 1362565095 PUEYPQYLYUTNCG-LLVKDONJSA-N 319.365 -0.237 30 20 DBED C[C@H]1C(=O)CC[C@H]1CC(=O)NCCn1cc(C#N)c(O)nc1=O 1362691661 ZEEWHILOAVXNCJ-ZJUUUORDSA-N 318.333 -0.058 30 20 DBED CN(CCO)CCNC(=O)CNC(=O)c1ccc(C#N)cc1 1363494990 MYKDCHPGFKWKEU-UHFFFAOYSA-N 304.350 -0.672 30 20 DBED Cn1c(=O)[nH]c(NC2CCN(C(=O)C3CC3)CC2)c(C#N)c1=O 1364125920 MKDMVMIZDFBTCO-UHFFFAOYSA-N 317.349 -0.242 30 20 DBED Cn1cccc1CNC(=O)NCCn1cc(C#N)c(O)nc1=O 1365566090 YGNDGQLCVBNANA-UHFFFAOYSA-N 316.321 -0.342 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](C1CC1)N(C)C(=O)c1c[nH]c(=O)cn1 1370420855 GFQSIMXIQHOARP-JOYOIKCWSA-N 317.349 -0.104 30 20 DBED CC(C)CS(=O)(=O)CC(=O)NC[C@H](C)NC(=O)[C@H](C)C#N 1372961139 LMGZBBCQFQZHNX-MNOVXSKESA-N 317.411 -0.162 30 20 DBED C=C(Cl)CNC[C@@H]1CN(C(=O)[C@H](C)NC(N)=O)CCO1 1380905728 SXNROLZEAIKOJI-VHSXEESVSA-N 304.778 -0.387 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)c2cnsn2)C1 1401052728 OATWIUJYQHQAQJ-PRHODGIISA-N 309.351 -0.609 30 20 DBED CC(C)NC(=O)CNC[C@H](O)CNC(=O)c1cc(C#N)c[nH]1 1401502817 HWJYGWKFOWEOJB-NSHDSACASA-N 307.354 -0.909 30 20 DBED CCc1nnc(CNC[C@H](O)CNC(=O)c2cc(C#N)c[nH]2)o1 1406205038 GZKCEKUJWMFYBS-JTQLQIEISA-N 318.337 -0.288 30 20 DBED N#Cc1cn(CCNC(=O)N[C@@H]2CCCOCC2)c(=O)nc1O 1414589453 QBMBVENRUCILPS-LLVKDONJSA-N 321.337 -0.311 30 20 DBED COC(=O)C1(C#N)CCN(C(=O)N[C@@H](C)c2nnnn2C)CC1 1414746566 WCPCHSZCCNNACQ-VIFPVBQESA-N 321.341 -0.241 30 20 DBED Cc1ccc(C(=O)NC[C@@H](O)CNC(=O)[C@@H](C)C#N)c(O)n1 1416782040 MGULLPVBFHEMMC-WPRPVWTQSA-N 306.322 -0.538 30 20 DBED CNC(=O)NCC(=O)N1C[C@H]2CCN(C(=O)[C@H](C)C#N)C[C@H]2C1 1429203916 ZCSCYJDFVQNFBS-UTUOFQBUSA-N 321.381 -0.618 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCNC(=O)[C@@H]1CCCCN1C(N)=O 1455481483 JEAOUBRDKFIAIZ-QWRGUYRKSA-N 309.370 -0.346 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNCc1noc2c1COCC2 1482717084 WNXYXHINVIYHOV-VHSXEESVSA-N 308.338 -0.526 30 20 DBED CC[C@H](CNC(=O)CS(=O)(=O)C(C)C)NC(=O)[C@@H](C)C#N 1531216016 CXNLLGMMVBCGGT-WDEREUQCSA-N 317.411 -0.020 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1[C@@H]2CN(c3ccc(-c4nn[nH]n4)nc3)C[C@@H]21 1573585079 CFOSEBCUROAQND-GOONRYMUSA-N 324.348 -0.028 30 20 DBED N#CCC1(O)CN([C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)C1 1581857715 GKMQYXDDBMZEKK-NSHDSACASA-N 313.321 -0.647 30 20 DBED C=CCCn1cc(C(=O)N2CCN(C(=O)C(=O)O)CC2)nn1 1588460689 SKLMOHGWESRFSJ-UHFFFAOYSA-N 307.310 -0.777 30 20 DBED O=C(C#CC1CC1)NCCCNc1nccnc1-c1nn[nH]n1 1592768342 INECLWHHACVDKH-UHFFFAOYSA-N 312.337 -0.012 30 20 DBED C[C@H](OC(=O)CNC(=O)c1ccc(C#N)cc1)C(=O)C(=O)O 1593534184 RGGXZIOZIPGZPR-QMMMGPOBSA-N 304.258 -0.127 30 20 DBED C[C@@H]1CN(C(=O)[C@@H](C)n2cnc(C#N)n2)CCN1CCC(=O)O 1594462164 DVUKTHSVKYAXFA-GHMZBOCLSA-N 320.353 -0.282 30 20 DBED N#CC1(CS(=O)(=O)N[C@H](CC2OCCO2)C(=O)O)CC1 1601058772 YWXWVHKYDJISHK-MRVPVSSYSA-N 304.324 -0.574 30 20 DBED N#Cc1nccnc1N1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)O)CC1 1601134943 CZCFUAXJQPSGRY-ZJUUUORDSA-N 301.306 -0.282 30 20 DBED CN(C[C@H](O)c1cccc(C#N)c1)C(=O)C(=O)NCCC(=O)O 1604124791 QQZALQDUURWPTE-LBPRGKRZSA-N 319.317 -0.359 30 20 DBED N#CCN1CCN(C(=O)Nc2cccc(-c3nn[nH]n3)n2)CC1 1606349796 IFKYFNKVTGSDBY-UHFFFAOYSA-N 313.325 -0.065 30 20 DBED O=C(COc1ccc(-c2nn[nH]n2)cc1)N[C@@H]1CCN(O)C1=O 1606567633 IQMMFGDIFWHLRN-SNVBAGLBSA-N 318.293 -0.648 30 20 DBED CC#CC(=O)N1CCN(c2nccnc2-c2nn[nH]n2)C[C@@H]1C 1609060030 VBQGQRQASAOLLU-JTQLQIEISA-N 312.337 -0.283 30 20 DBED CNS(=O)(=O)NC1CCN(C(=O)c2cnccc2C#N)CC1 1647249709 AYVIWXSVLCQNSM-UHFFFAOYSA-N 323.378 -0.388 30 20 DBED C#CCNC(=O)CN[C@H]1CN(C(=O)C[C@H]2CCOC2)CC1(C)C 1717900138 CAEODFRWCXDRKX-KGLIPLIRSA-N 321.421 -0.011 30 20 DBED C=CCNC(=O)CN[C@@H](CNC(=O)c1[nH]nnc1C)C1CC1 1752472057 HOAOWUUUOSQOIB-NSHDSACASA-N 306.370 -0.487 30 20 DBED CCC[C@H](C(=O)N1CC[C@H](CNCC#N)C1)S(N)(=O)=O 1752944963 CPRLDJQSGRBUEC-GHMZBOCLSA-N 302.400 -0.595 30 20 DBED C=CCNC(=O)CNC[C@@H]1CCN(C(=O)c2[nH]nnc2C)C1 1752948098 QURXFCJRHSGWKK-NSHDSACASA-N 306.370 -0.533 30 20 DBED C=CCN1CC[C@@H](N(C)CCNC(=O)c2cnnn2C)C1=O 1753047908 UXPRLDWDLWYOFZ-LLVKDONJSA-N 306.370 -0.736 30 20 DBED CN(CC(=O)NCC#N)C[C@H]1CCN(C(=O)Cn2cccn2)C1 1753357526 YWLPOIKSBZAWLZ-CYBMUJFWSA-N 318.381 -0.697 30 20 DBED CC#CCN1CC(CNC(=O)CCc2nnc(O)nc2O)C1 1753406062 JNKUTTFWFZUQKC-UHFFFAOYSA-N 305.338 -0.713 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H](CC)CNC(=O)c1ccncn1 1753490611 AVCYJZDBRAGWQU-NWDGAFQWSA-N 303.366 -0.288 30 20 DBED C[C@H](CNCC(=O)NC(=O)NC1CC1)CNC(=O)C#CC1CC1 1753613248 TWGBBYPDBPOGKD-LLVKDONJSA-N 320.393 -0.270 30 20 DBED N#Cc1ccc(C(=O)NC[C@H]2CN(CCOCCO)CCO2)[nH]1 1753650641 WYVWZLAKTMRKDV-ZDUSSCGKSA-N 322.365 -0.674 30 20 DBED COCC#CCN[C@@H](CNC(=O)[C@@H]1CCCNC1=O)C(C)C 1753832953 XWSFEOOLSHSABE-KGLIPLIRSA-N 309.410 -0.107 30 20 DBED C#CCN1CCC(C(=O)N[C@@H](C)CCN[C@H](C)C(N)=O)CC1 1754025711 PBMYFTFFZIVDJF-QWHCGFSZSA-N 308.426 -0.310 30 20 DBED COCC#CCNC[C@@H](C)NC(=O)[C@H]1CCc2nncn2C1 1754254987 VXVMKJFRJTUNLT-OLZOCXBDSA-N 305.382 -0.415 30 20 DBED C[C@@H](CN(C)[C@H](C)C(=O)NC(N)=O)NC(=O)CSCC#N 1754303383 UPMBABWUFZHVQS-DTWKUNHWSA-N 315.399 -0.737 30 20 DBED C=CCn1cc(C(=O)N[C@H](C)CN(C)[C@@H](CC)C(N)=O)nn1 1754326243 FZUAFULFMRQCAT-PWSUYJOCSA-N 308.386 -0.222 30 20 DBED C#CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)CCc1c(C)nc(O)nc1O 1754425163 ASSJZIAGZGEXMA-OSMZGAPFSA-N 316.361 -0.049 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC(N(C)C(=O)c2ccn(C)n2)C1 1754585990 BFQWQHNIVGKROZ-LLVKDONJSA-N 303.366 -0.686 30 20 DBED C[C@H](CC(N)=O)C(=O)N1CCN([C@@H]2CCN(CC#N)C2)CC1 1754662643 CXODLAUITGWMKC-CHWSQXEVSA-N 307.398 -0.760 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(CC(=O)N[C@H](C)C2CC2)C1 1754766886 ACPMUOYCGONIAN-CYBMUJFWSA-N 321.421 -0.277 30 20 DBED CC#CCN[C@H](C)[C@H]1CCN(C(=O)c2cn(C)c(=O)nc2O)C1 1754806462 CVOIHKGUYWDVTJ-NEPJUHHUSA-N 318.377 -0.051 30 20 DBED CNC(=O)CN1C[C@@H]2CCCN(C(=O)CSCC#N)[C@@H]2C1 1754870177 FUTHDMUCENBMIZ-NWDGAFQWSA-N 310.423 -0.088 30 20 DBED CCCN1C[C@H](C(=O)N2CCC[C@@](CO)(NCC#N)C2)CC1=O 1755089297 MCWXSZOYMUYOJR-CZUORRHYSA-N 322.409 -0.288 30 20 DBED COCC#CCN[C@H]1CN(C(=O)CCc2nc[nH]n2)C[C@@H]1C 1755106780 BQMVZGUSZUOEKJ-STQMWFEESA-N 305.382 -0.176 30 20 DBED C#CCCNCC1(O)CCN(C(=O)Cc2ccn(C)n2)CC1 1755149083 TYYDRRGABOSLPS-UHFFFAOYSA-N 304.394 -0.071 30 20 DBED COCC#CCN(C)[C@H](C)CNC(=O)Cn1ccccc1=O 1755326390 PEITUWMKPLCDHA-CQSZACIVSA-N 305.378 -0.065 30 20 DBED C=CCNC(=O)CN[C@H](CO)CNC(=O)C1CCC(F)CC1 1755638531 XGYHXLSMBDBRAS-BPCQOVAHSA-N 315.389 -0.116 30 20 DBED CCS(=O)(=O)CC(=O)N(C)[C@H](C)CNC(=O)C#CC1CC1 1756025228 HOFAGXFFDAHPBW-LLVKDONJSA-N 314.407 -0.202 30 20 DBED C=CCOCC(=O)N1CC([C@@H](C)NC(=O)C[C@@H]2CCNC2=O)C1 1756144041 AGRYWMWZDUELBP-NEPJUHHUSA-N 323.393 -0.322 30 20 DBED CCc1oncc1C(=O)NC[C@@H](CO)NC(=O)C#CC1CC1 1756522954 QBPIMUFNDGWCOY-NSHDSACASA-N 305.334 -0.143 30 20 DBED Cc1ncc(C(=O)NC[C@H](CO)NC(=O)C#CC(C)C)n1C 1756543906 VIBWRMCAZNZIRE-GFCCVEGCSA-N 306.366 -0.405 30 20 DBED CC(C)C#CC(=O)NCC1=CCN(C(=O)[C@H](C)NC(N)=O)CC1 1756768654 PVHRXZDHYWMKEK-LBPRGKRZSA-N 320.393 -0.023 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCC2(C1)CN(C(=O)CC(N)=O)C2 1756830104 IDZIBMLKBUKAIN-AWEZNQCLSA-N 309.366 -0.750 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H]1C[C@@H](CNC(=O)[C@H](C)NC(C)=O)C1 1757309247 IIWTYSOFJYKJPT-AUZPSNTRSA-N 323.393 -0.440 30 20 DBED N#CC[C@]1(O)CCN(C(=O)NCCS(=O)(=O)C2CC2)C1 1771744570 XWHDVVWGUKGDBO-LBPRGKRZSA-N 301.368 -0.376 30 20 DBED CCOC(=O)[C@@H]1C[C@H]1CS(=O)(=O)N[C@H](CCC#N)C(=O)O 1776946550 MUAHEEXTPYHONG-IVZWLZJFSA-N 318.351 -0.138 30 20 DBED N#CCC(=O)N1CC2(CCCN2C(=O)CCN2CCOC2=O)C1 1843856746 PBLAZNQWIAXXGM-UHFFFAOYSA-N 320.349 -0.054 30 20 DBED N#Cc1ccc(S(=O)(=O)N[C@H](CC(=O)O)C(=O)O)s1 230326240 VXLULJNIJQJBEX-ZCFIWIBFSA-N 304.305 -0.174 30 20 DBED C/N=C(/NCC(=O)N(C)C)N1CCO[C@@H](c2cnn(C)c2)C1 261714336 HQGPVNWZTDXLTF-GFCCVEGCSA-N 308.386 -0.543 30 20 DBED COC(=O)[C@H](c1cccc(C#N)c1)N1CCO[C@H](C(N)=O)C1 267660687 ZMYRVIJTFHPLTB-STQMWFEESA-N 303.318 -0.042 30 20 DBED C[C@H](Oc1ccc(C#N)cc1)C(=O)NCCN1CCNC(=O)C1 272766002 QEIWJKLQMKYUFM-LBPRGKRZSA-N 316.361 -0.126 30 20 DBED C=CCS(=O)(=O)CCNC(=O)NCCSCC(=O)OC 272797579 DEYOBAISVONDSV-UHFFFAOYSA-N 324.424 -0.207 30 20 DBED N#CCOc1ccccc1C(=O)NCCN1CCNC(=O)C1 272839542 ZLCAWEVGLXVYDU-UHFFFAOYSA-N 302.334 -0.249 30 20 DBED C=CCS(=O)(=O)CCN1C(=O)N[C@@H](C(=O)OCC)C1=O 277631651 CFYBGVJNMRQTCR-MRVPVSSYSA-N 304.324 -0.929 30 20 DBED C=CCN1CC[C@@H](N(C)Cc2cn(C)c(=O)n(C)c2=O)C1=O 281268491 NREXQOXEUGSGJK-GFCCVEGCSA-N 306.366 -0.697 30 20 DBED C#CCN(CC#N)C(=O)[C@H](C)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 281485360 IBVOTFFXCGCHOG-QWQWKMKNSA-N 315.329 -0.477 30 20 DBED C=CCN1CC[C@@H](N2CCC[C@@](O)(Cn3ccnn3)C2)C1=O 284546491 LCNAJXHEWHINTI-HIFRSBDPSA-N 305.382 -0.108 30 20 DBED CC(C)[C@@H](C(=O)NCCn1cnc(C#N)n1)N1CCCC1=O 286689818 CQFPSUKHRSIAPJ-ZDUSSCGKSA-N 304.354 -0.087 30 20 DBED C[C@H](C/N=C(/O)NC[C@@H]1COCCO1)CN1CCN(C)CC1 329776022 NONZSEVBCWDROA-ZIAGYGMSSA-N 314.430 -0.211 30 20 DBED O/C(=N/[C@@H]1CCc2ncnn2C1)N1CCN2CCOC[C@@H]2C1 329807821 BMVACEKHIHFLDW-NEPJUHHUSA-N 306.370 -0.477 30 20 DBED C/N=C(/O)NCC(=O)N1CCN(c2ccc(OC)cn2)CC1 331362011 ZTBHPMAVGIYHIK-UHFFFAOYSA-N 307.354 -0.128 30 20 DBED CCNC(=O)C(C)(C)CNS(=O)(=O)N1CCO[C@@H](C#N)C1 336896359 RSRJRSRMTXVQPF-JTQLQIEISA-N 318.399 -0.793 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N[C@H](C)C(=O)N1CCCC1 337247858 PFLLSVHGCSFRMU-GHMZBOCLSA-N 302.400 -0.077 30 20 DBED N#Cc1ccc(NCC(=O)N2CCN(c3ncccn3)CC2)nc1 345582009 FXOCHUMFRNMRTA-UHFFFAOYSA-N 323.360 0.504 30 20 DBED C[C@H]1CN(S(=O)(=O)c2ccc(C#N)nc2)C[C@@H](C(N)=O)O1 347824819 LYWNGDXFIBSZQW-KWQFWETISA-N 310.335 -0.783 30 20 DBED C=CCSCCNS(=O)(=O)N1CCS(=O)(=O)CC1 354479561 DGAYRJAOGNSWFG-UHFFFAOYSA-N 314.454 -0.530 30 20 DBED CN(CCC#N)S(=O)(=O)N1CCC[C@H](CS(N)(=O)=O)C1 355429796 ODYLYWSIWMWPRY-JTQLQIEISA-N 324.428 -0.923 30 20 DBED C=C[C@@H](CO)NC(=O)NCCNS(=O)(=O)c1cccnc1 358834738 STSPKDVRAJNZCD-JTQLQIEISA-N 314.367 -0.794 30 20 DBED C[C@@H]1CCS(=O)(=O)CCN1C(=O)CNc1ccc(C#N)cn1 432592153 KRCMUVIZUSAWLM-LLVKDONJSA-N 322.390 0.401 30 20 DBED C=CCN(CC=C)C(=O)C(=O)Nc1ccn(CC(=O)N(C)C)n1 444507002 JOCYRCIGHPOKIB-UHFFFAOYSA-N 319.365 0.110 30 20 DBED C#CCNS(=O)(=O)c1ccc(C(=O)N(C)CC(=O)O)cc1 490822151 ZYDNAFWMSVCSTO-UHFFFAOYSA-N 310.331 -0.245 30 20 DBED C#CCNC(=O)CN1CCN([C@H](C)C(=O)N(C)CCC#N)CC1 491125794 HDDUEWYZCPCPLU-CQSZACIVSA-N 319.409 -0.886 30 20 DBED CCOC(=O)N1CCN(C(=O)C(=O)N(C)C[C@@H](C)C#N)CC1 497218989 FFFZBYIIXOQBMD-NSHDSACASA-N 310.354 -0.095 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCc2nccn2CC)C1=O 515433733 ZDPIHVPMPGLQMZ-UHFFFAOYSA-N 319.321 -0.504 30 20 DBED COC(=O)CC[C@H](NS(=O)(=O)N(C)CCC#N)C(=O)O 547881134 FEDMPSIEXLTNCR-QMMMGPOBSA-N 307.328 -0.927 30 20 DBED CN(C)[C@@H]1CCCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 568962322 DAKZEBUGVJTOFQ-OLZOCXBDSA-N 316.427 -0.128 30 20 DBED CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N(C)CC#N)cc1 582668432 WILVPHJKVCJNQQ-UHFFFAOYSA-N 324.362 -0.095 30 20 DBED CNS(=O)(=O)N1CCN(C(=O)NCC(C)(C)CC#N)CC1 596623818 HTLDDJDLRGAURV-UHFFFAOYSA-N 317.415 -0.282 30 20 DBED C[C@H](C#N)N(C(=O)CCn1cc(S(N)(=O)=O)cn1)C1CC1 598128977 DUAUYSATWRSWDE-SECBINFHSA-N 311.367 -0.176 30 20 DBED COCCN(C)CCN1C[C@H](Nc2ccc(C#N)nn2)CC1=O 601177874 BWCFWUSFZPJNPW-CYBMUJFWSA-N 318.381 -0.061 30 20 DBED C[C@H](CNC(=O)C(=O)N1CCN(CCC#N)CC1)N(C)C1CC1 602242692 PNBHARYKRIQTSH-CYBMUJFWSA-N 321.425 -0.357 30 20 DBED Cn1cc(C#N)c(=O)n(Cc2nnnn2Cc2ccccc2)c1=O 603504378 AODULVMYEOORPV-UHFFFAOYSA-N 323.316 -0.498 30 20 DBED C=C[C@@](C)(O)C(=O)NCC1(N2CCOCC2)CCN(C)CC1 616257774 VVHXARAKRLHALD-OAHLLOKOSA-N 311.426 -0.164 30 20 DBED CC#CC[C@@H](CO)NC(=O)[C@](C)(O)Cn1c(C)cccc1=O 649181919 LLILXRBBKONADI-XJKSGUPXSA-N 306.362 -0.202 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)N2CCOCC2)CC1 660867795 UIVQIQLJJITLEL-UHFFFAOYSA-N 310.398 -0.205 30 20 DBED C=C(C)CN(CC)C(=O)[C@H](C)OC(=O)c1cn(CC(N)=O)nn1 745467321 FMPBQRDJLJPCMY-JTQLQIEISA-N 323.353 -0.267 30 20 DBED C#CCOCCC(=O)NS(=O)(=O)c1ccc(C)c(C(N)=O)c1 756563672 QDAUKVSGTSMVHZ-UHFFFAOYSA-N 324.358 -0.061 30 20 DBED CCN(CCO)CCNC(=O)NCCNc1ncccc1C#N 769493657 DORNAGDDKZCSFB-UHFFFAOYSA-N 320.397 -0.021 30 20 DBED C#C[C@@H](NC(=O)c1cn(Cc2noc(C)n2)nn1)[C@@H]1CCCO1 784892528 HFDJVQLLDJNPNB-PWSUYJOCSA-N 316.321 -0.072 30 20 DBED C#CCC[C@@H](O)CNC(=O)NC[C@H]1COC2(CCOCC2)O1 798449998 AIRWMPUFTLPXJM-OLZOCXBDSA-N 312.366 -0.018 30 20 DBED C=CCOC[C@@H]1NC(=O)N(CCS(=O)(=O)CC=C)C1=O 804182504 CHZIYMXFLWPDPJ-JTQLQIEISA-N 302.352 -0.290 30 20 DBED C#C[C@H](CCC)NC(=O)N1CCN(S(=O)(=O)NC)CC1 820665942 DKAKREXRBFIKEF-LLVKDONJSA-N 302.400 -0.420 30 20 DBED C#CCN(CC(=O)N[C@@H](CO)C(=O)OC)C(=O)OC(C)(C)C 820760109 BLHNWCFDHBRVGM-JTQLQIEISA-N 314.338 -0.493 30 20 DBED C#CC[C@H](NC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)C(=O)OC 837931539 NVELVVGPTKYAAO-UTUOFQBUSA-N 320.345 -0.157 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@@H]1CCCC[C@H]1CN)[C@H]1CCCO1 842164308 USJSWPSGYQISJR-IGQOVBAYSA-N 307.394 -0.083 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC(NS(=O)(=O)NC)CC1 846055679 IJPWUBMXOKOWAR-SNVBAGLBSA-N 303.384 -0.931 30 20 DBED CN(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC#CCO 846651588 WCXCQIGPJMDBPW-LBPRGKRZSA-N 313.398 -0.057 30 20 DBED CC/N=C(/NCC)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 848994648 SWIAWDBQDFIHLB-SNVBAGLBSA-N 304.416 -0.745 30 20 DBED C#CCN(CC(=O)NCC(=O)NCC#N)C(=O)OC(C)(C)C 854447536 JZRNTSWCYDOXEI-UHFFFAOYSA-N 308.338 -0.387 30 20 DBED C#CC[C@@H](CO)NC(=O)[C@H](CO)NC(=O)Cc1ccc(F)cc1 854550389 SPMPAGQJXYIBGL-KBPBESRZSA-N 322.336 -0.654 30 20 DBED C#CCOc1ccc(CNC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)cc1 854826428 KGOUTHVPKHIKII-BZUAXINKSA-N 317.341 -0.272 30 20 DBED C#CCNS(=O)(=O)N1CCN(CCc2cnccn2)CC1 878314943 AYDWYDDNUSCFKS-UHFFFAOYSA-N 309.395 -0.896 30 20 DBED C#CC1(O)CN(C(=O)c2ccc(OC)c(S(C)(=O)=O)c2)C1 890526281 UNTUJYMSTDOKAF-UHFFFAOYSA-N 309.343 -0.081 30 20 DBED C#CC1(O)CN(C(=O)NCc2ccc3c(c2)CCS3(=O)=O)C1 893617292 RBGZRXYACNQVRW-UHFFFAOYSA-N 320.370 -0.094 30 20 DBED CN(C)CC#CCNC(=O)CCc1ccc(S(N)(=O)=O)cc1 913515424 XBWMCPYYSVQTBM-UHFFFAOYSA-N 323.418 -0.052 30 20 DBED CCOCCCNC(=O)[C@H](C#N)C(=O)CCN1C(=O)CCC1=O 916868531 SIHVDKAPUOFFSZ-LLVKDONJSA-N 323.349 -0.223 30 20 DBED NC(=O)C1(N2CCCCC2)CCN(C(=O)NCC#CCO)CC1 923762173 YWFLTRIEWGHGBF-UHFFFAOYSA-N 322.409 -0.503 30 20 DBED CN(C(=O)[C@H]1CCNC(=O)C1)[C@@H]1CCN(C(=O)C#CC2CC2)C1 937347015 FKQYUQKVHVWXDK-UONOGXRCSA-N 317.389 -0.015 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2CCC[C@H]2NC(=O)C(N)=O)cn1 946295931 YEQHBJMTUMVRIH-ZWNOBZJWSA-N 314.345 -0.437 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCN(CC(N)=O)[C@@H](C)C2)nn1 947792783 SDBBRAXEZOHCBO-QWRGUYRKSA-N 306.370 -0.468 30 20 DBED Cn1ncc(C(=O)N[C@@H]2CCCN(C(=O)C#CC3CC3)C2)n1 950759365 RJWMTBFKQKYFKL-GFCCVEGCSA-N 301.350 -0.051 30 20 DBED C=CCn1cccc1C(=O)N[C@@H]1CCCN(C(=O)C(N)=O)C1 951861036 UWUVZZZETLGXRS-LLVKDONJSA-N 304.350 -0.120 30 20 DBED C=CCN1C[C@@H](O)[C@@H](CNC(=O)c2cnc3nccn3c2)C1 958258919 XNZBJVGBEHUONW-WCQYABFASA-N 301.350 -0.062 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2ccc(N(C)C)nn2)C1 958599577 REQYVTORIGUUPY-YPMHNXCESA-N 303.366 -0.802 30 20 DBED C=CCN1C[C@H](O)[C@H](CNC(=O)C2CCN(C(N)=O)CC2)C1 958662417 SLYBURJZODHUNO-OLZOCXBDSA-N 310.398 -0.628 30 20 DBED CN(C(=O)Cc1cnoc1)[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 958930335 PFRWXEYOGQNCMC-KBPBESRZSA-N 317.345 -0.339 30 20 DBED C=C(Cl)CN1C[C@H]2[C@H](NC(=O)CN3CC(=O)NC3=O)[C@H]2C1 962078236 TZZKHYXATGEJKO-GDGBQDQQSA-N 312.757 -0.663 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CC(CNCc2nnnn2C)C1 962322643 YBNVFIYNDZXRNB-TUUUFIMRSA-N 320.397 -0.214 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CCCN(C(=O)Cc3nc[nH]n3)[C@@H]2C1 963849057 KBODQLHLSUFYPW-SDDRHHMPSA-N 316.365 -0.044 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(C[C@H](NC(=O)c3ncccn3)CO2)C1 965792923 OXIVMSNTJJWILB-QWRGUYRKSA-N 315.333 -0.264 30 20 DBED C[C@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1NC(=O)c1c[nH]c(C#N)c1 966685432 WVJRRURWZGNOCP-KWQFWETISA-N 313.321 -0.105 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@H](NC(=O)C(N)=O)C1 979852552 CATZXJNJKTYVMN-BJDJZHNGSA-N 309.366 -0.536 30 20 DBED C=CCN(C)[C@@H]1CCN(C(=O)CN2CCS(=O)(=O)CC2)C1 980384170 YWGXPDOWLJXOSD-CYBMUJFWSA-N 315.439 -0.565 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)CC(N)=O)C2)cn1 982564822 SRGSKZDBIVRBHW-NSHDSACASA-N 314.345 -0.483 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](CNC(=O)c2cn(C)c(=O)n2C)C1 983219753 DQEBKWRRSWKQRE-MNOVXSKESA-N 319.365 -0.538 30 20 DBED Cc1nc(O)nc(O)c1CC(=O)N1CC[C@H](NCC#N)[C@H]1C 987236992 MKFUSEQJVBZGML-KOLCDFICSA-N 305.338 -0.159 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)c2n[nH]c(C)c2O)C1 990860087 NYORKNDLCNTLLL-MNOVXSKESA-N 320.349 -0.045 30 20 DBED C=CCn1cc(C(=O)N2CC[C@@H](NC(=O)CC)[C@H](O)C2)nn1 991139400 OKWSJTMTYSKVNF-ZYHUDNBSSA-N 307.354 -0.434 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CN(C(=O)c2nc[nH]n2)C1 992030870 IXUBAIPNSZMBSK-QWRGUYRKSA-N 305.338 -0.274 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H](CC)OC)C1 994750980 KGHKVIUKWRMCGT-KBPBESRZSA-N 307.394 -0.164 30 20 DBED C=CCn1cc(C(=O)NCC2CN(C(=O)c3nc[nH]n3)C2)nn1 1001960054 GYAQAZKNINRHDP-UHFFFAOYSA-N 316.325 -0.916 30 20 DBED C#CCOc1ncccc1C(=O)NC1CCN(CC(N)=O)CC1 1003992832 RLLQUBDPIGYXGS-UHFFFAOYSA-N 316.361 -0.227 30 20 DBED C[C@@H](NC(=O)c1ccc(C#N)[nH]1)C1CN(C(=O)c2nc[nH]n2)C1 1005923182 CXWXAHXWCHMUPS-MRVPVSSYSA-N 313.321 -0.105 30 20 DBED C#CCCN1CC[C@@H](NC(=O)[C@@H]2CC(=O)N(CCOC)C2)C1 1014632326 MYAKKFSYEMCZQG-ZIAGYGMSSA-N 307.394 -0.305 30 20 DBED CO[C@H](C)C(=O)N1CCC[C@@H](C(=O)N2CCN(CC#N)CC2)C1 1018358111 LGVNBIFJJMOIIY-ZIAGYGMSSA-N 322.409 -0.072 30 20 DBED C=CC(C)(C)C(=O)N1CC2(CCN(C(=O)[C@H]3CNC(=O)N3)C2)C1 1019255230 FGCNNUHTALJFGM-LLVKDONJSA-N 320.393 -0.059 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@H](NCc3nnn(C)n3)C2)nc1 1019677106 SEWIASZNTHRSCV-LBPRGKRZSA-N 311.349 -0.409 30 20 DBED C#CCOc1ncccc1C(=O)N[C@H]1C[C@@H](NCC(N)=O)C1 1022989838 TWMLPOWCUMTTAF-PHIMTYICSA-N 302.334 -0.571 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnn(C)c2)C1 1023020259 ADBAJULSKCJEKM-VXGBXAGGSA-N 306.366 -0.066 30 20 DBED Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2O)nn1 1023642149 FBXKDLHGAIOKAB-GGZOMVNGSA-N 303.322 -0.754 30 20 DBED C=CCN1CC[C@H](CNC(=O)C2CC3(C2)NC(=O)NC3=O)C1 1028864654 QAPFDOOTKXBAIN-RWWNRMGGSA-N 306.366 -0.401 30 20 DBED N#CCN1[C@H]2CC[C@H]1CN(C(=O)[C@H]1CCc3nnc(O)n3C1)C2 1029363551 AKFKGMLXDSNSRN-SRVKXCTJSA-N 316.365 -0.255 30 20 DBED C[C@@H](C(=O)NC1CC1)N1CC(NC(=O)c2cc(C#N)c[nH]2)C1 1030200231 JCTRJYHZMWZSIE-VIFPVBQESA-N 301.350 -0.033 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(CCN2C(=O)CCC2=O)C1 1030979984 ZWIJHGZKIKWPBE-OLZOCXBDSA-N 321.377 -0.473 30 20 DBED C=CCN1CC[C@@H](NCC[C@H]2CCCN(C(=O)C(N)=O)C2)C1=O 1034559268 OYDKEOVDTICHRK-CHWSQXEVSA-N 322.409 -0.523 30 20 DBED C[C@H]1CN(C(=O)CN2C(=O)NC(C)(C)C2=O)CC[C@@H]1NCC#N 1036283727 VRJHBDBOGCERLN-QWRGUYRKSA-N 321.381 -0.333 30 20 DBED CC#CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)CN1C(=O)CC(C)(C)C1=O 1037419468 JYEFXBHNKJDOMX-XUJVJEKNSA-N 317.389 -0.016 30 20 DBED C#CCCCC(=O)NC[C@]1(O)CCN(C(=O)CC(=O)NCC)C1 1039574679 WEYOLXMNNUVFDC-MRXNPFEDSA-N 323.393 -0.604 30 20 DBED CC(C)C#CC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2CCOC2)C1 1040792145 ZPOGKJSXHYSMKX-CJNGLKHVSA-N 308.378 -0.238 30 20 DBED CC#CCN1CC[C@]2(CCN(C(=O)c3nnc(O)nc3O)C2)C1 1041443836 XAOLVHHYYYEMJQ-HNNXBMFYSA-N 317.349 -0.156 30 20 DBED C=C1CC(C)(C(=O)N2CC(O)(CNC(=O)[C@H]3COCCO3)C2)C1 1041605236 ZHWPSQDWYGLKDZ-GFCCVEGCSA-N 324.377 -0.552 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)c2cc(C)[nH]n2)C1 1041735223 JXRVTGIYHJCJPC-LLVKDONJSA-N 320.349 -0.940 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)C[C@H]2CCNC2=O)C1 1041960827 WRYKXCLIDFUDDP-LLVKDONJSA-N 309.366 -0.832 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)c2ccn(C)c(=O)c2)C1 1041972704 HUSSKNPQRKSCBF-UHFFFAOYSA-N 319.361 -0.345 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)c2ncccc2C)C1 1042039730 IHVJWXWZLFYZDQ-UHFFFAOYSA-N 319.361 -0.104 30 20 DBED Cc1cc(CC(=O)N2CC(O)(CNC(=O)C#CC3CC3)C2)no1 1042959022 SYUKVQZWJREFSY-UHFFFAOYSA-N 317.345 -0.372 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)[C@H](C)SC)C1 1043036918 UEPDJPAGABXESQ-MNOVXSKESA-N 314.407 -0.534 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)C2=CCOCC2)C1 1043040070 NGDVCMSSXWFLQQ-GFCCVEGCSA-N 322.361 -0.939 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)c2ccoc2C)C1 1043042580 QVDRJARQBFNIDT-GFCCVEGCSA-N 320.345 -0.071 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)Cc2cscn2)C1 1043093119 VDAOAOKDRLZWAY-VIFPVBQESA-N 308.363 -0.465 30 20 DBED C=CCn1cc(C(=O)NCC2(O)CN(C(=O)/C(C)=C\C)C2)nn1 1043105952 LPZBCMDTLRRZRB-WZUFQYTHSA-N 319.365 -0.267 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CN(CCS(C)(=O)=O)C1 1043902125 CUNVGNDCTOYJCU-OLZOCXBDSA-N 316.423 -0.235 30 20 DBED O=C(NCC1(O)CN(C(=O)C#CC2CC2)C1)c1nccs1 1045239990 CVLFXXWJTIYCPD-UHFFFAOYSA-N 305.359 -0.140 30 20 DBED CC#CCN1CC[C@@H](N2CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)C1 1046075801 FEYJKHWJFWHXIK-CABCVRRESA-N 318.421 -0.493 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cnc(C)nc2OC)C1 1047403988 ORLXVPWISADVOJ-STQMWFEESA-N 304.350 -0.456 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3nncn3C2)C1 1047639332 RYQYKEHAPSAELB-AGIUHOORSA-N 305.382 -0.470 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C(F)F)C1 1047974507 WNGVAIDFTVFONL-UTLUCORTSA-N 304.293 -0.680 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCOC2)C1 1048499979 GMWCQXYHDHLHEE-IHRRRGAJSA-N 308.378 -0.144 30 20 DBED CN1C(=O)CN(CC(=O)N2CCC[C@H]3CN(CC#N)C[C@H]32)C1=O 1050181464 PZELRZZTBXQKED-NWDGAFQWSA-N 319.365 -0.673 30 20 DBED COc1c(C(=O)NC[C@@H]2COCCN2CC#N)c(C)nn1C 1051145162 HELQAHOWXMJYMT-LLVKDONJSA-N 307.354 -0.309 30 20 DBED N#Cc1cnccc1N1CC[C@@H](NC(=O)c2cnon2)[C@H](O)C1 1051720002 WCKAZMVADPSIED-ZWNOBZJWSA-N 314.305 -0.294 30 20 DBED C#CCN1CCN([C@@H]2CCN(C(=O)c3cc[n+]([O-])cc3)C2)CC1 1051976629 HCVZBNKQTNWFTL-MRXNPFEDSA-N 314.389 -0.215 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)[C@H]1COCCN1CC)CCO2 1053320412 FAJLQVKMZCSMJH-OAHLLOKOSA-N 321.421 -0.356 30 20 DBED N#CCN1CC2(C1)CN(C(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@@H]31)CCO2 1053348405 YJNNZSKLEJMNSR-BJJPWKGXSA-N 303.362 -0.153 30 20 DBED N#CCN1CC2(C1)CN(C(=O)c1c[nH]c(C(N)=O)c1)CCO2 1053533720 HKTQNYSVNVGIMM-UHFFFAOYSA-N 303.322 -0.836 30 20 DBED N#CCN1CC2(CC[C@H](CNC(=O)c3ccc(C(N)=O)o3)O2)C1 1053626319 STIBXNCMGIXVEU-SNVBAGLBSA-N 318.333 -0.135 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2ccc(-n3cnnn3)cn2)C[C@H]1C 1054931226 ZSHIZTSOTOECIP-BXUZGUMPSA-N 311.349 -0.259 30 20 DBED CN1CCOC[C@@H]1C(=O)N1CCN(c2ccncc2C#N)CC1 1055754207 NKZREMHIPKUDCR-OAHLLOKOSA-N 315.377 -0.068 30 20 DBED C[C@@H](C#N)C(=O)N[C@]1(CO)CCCN(C(=O)c2n[nH]cc2F)C1 1056096615 JMMPMIDCNSCZGJ-LKFCYVNXSA-N 323.328 -0.208 30 20 DBED CCn1nncc1C(=O)NC1[C@H]2CN(c3cnc(C#N)cn3)C[C@H]12 1056200220 CGUOMWFXRSAREL-QWRGUYRKSA-N 324.348 -0.176 30 20 DBED CCO[C@H](C)C(=O)NCCN(CCO)C(=O)CSCC#N 1057026486 AIOIRMIIBHMNBQ-LLVKDONJSA-N 317.411 -0.395 30 20 DBED N#Cc1nccnc1N1CC[C@H](NC(=O)[C@H]2CCCNC2=O)C1 1058467430 LQXYGGIRXOLKQY-QWRGUYRKSA-N 314.349 -0.431 30 20 DBED CCn1ncc(C(=O)NCCN(CCO)C(=O)[C@H](C)C#N)n1 1058653605 ZWBXSZOHKSTGBQ-SNVBAGLBSA-N 308.342 -0.992 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)CCc1cnn(C)c1 1058660612 DSDSNLOQSOBDDG-GFCCVEGCSA-N 321.381 -0.551 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)[C@H]1CC12CCOCC2 1058662879 AYJZHDNXPCEMJS-CHWSQXEVSA-N 323.393 -0.100 30 20 DBED C[C@]1(C(=O)N2CC[C@H](Nc3ccc(C#N)nn3)C2)CNC(=O)C1 1059007574 DHCHHJQSHNORNZ-XHDPSFHLSA-N 314.349 -0.113 30 20 DBED C[C@@]1(C(=O)N2CC[C@H](Nc3ccc(C#N)nn3)C2)CCNC1=O 1059062989 KBQCYBZHPVYEBU-XHDPSFHLSA-N 314.349 -0.113 30 20 DBED Cc1cc(=N[C@H]2C[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)c(C#N)c[nH]1 1059823809 XMDWLDRQMUIXSH-XQHKEYJVSA-N 313.361 -0.136 30 20 DBED C=CCCOCC(=O)N1CC[C@@H](CCNC(=O)CC(N)=O)C1 1059829047 IWXYWWILGMRMQA-GFCCVEGCSA-N 311.382 -0.191 30 20 DBED C=CCOCC(=O)N1CCOC[C@@H]1CNC(=O)C1=CCOCC1 1061523482 PKYYPLQMLWXADV-AWEZNQCLSA-N 324.377 -0.121 30 20 DBED CN(C(=O)Cn1cnnn1)[C@@H]1CCN(c2nccnc2C#N)C1 1062876540 HZWWMLUMWJESIS-SNVBAGLBSA-N 313.325 -0.928 30 20 DBED N#Cc1cncc(N2C[C@H]3CN(C(=O)c4cnn[nH]4)C[C@H]3C2)n1 1066085453 WDYFKHTXMSPFCJ-AOOOYVTPSA-N 310.321 -0.325 30 20 DBED N#Cc1nccc(N2CC[C@@H]3[C@H]2CCCN3C(=O)CC(N)=O)n1 1066126328 FHEWZQRZTCLPPK-GHMZBOCLSA-N 314.349 -0.207 30 20 DBED Cc1cc(C#N)nc(NCC[C@H]2CCN(C(=O)C(N)=O)C2)n1 1066371510 GUVFGFWRVQVULD-JTQLQIEISA-N 302.338 -0.208 30 20 DBED C#CCCCC(=O)N(C)CCCN(C)C(=O)[C@@H]1CNC(=O)N1 1067287062 MQRIDRMLSDITDB-LBPRGKRZSA-N 308.382 -0.222 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](CNC(=O)c3cnco3)C2)nn1 1067688328 DQWLXIPZZKCVMQ-KOLCDFICSA-N 314.305 -0.437 30 20 DBED C#CCOCCC(=O)N1CC2(CC[C@@H](CNC(=O)COC)O2)C1 1068493263 RXBUDYBSOFBJKY-ZDUSSCGKSA-N 324.377 -0.451 30 20 DBED C=CC(C)(C)C(=O)N1CC2(CC[C@@H](CNC(=O)C(N)=O)O2)C1 1068617482 AGZCWQOQTDXILU-JTQLQIEISA-N 309.366 -0.440 30 20 DBED C[C@H]1[C@H](Nc2nccnc2C#N)CCN1C(=O)c1nnn(C)n1 1068928717 QIICXQOCCGIFCZ-DTWKUNHWSA-N 313.325 -0.413 30 20 DBED C[C@H]1C[C@H](N=c2cc[nH]cc2C#N)CN1C(=O)Cn1ncnn1 1069153144 UXWXFLDMHSQMBS-JQWIXIFHSA-N 312.337 -0.537 30 20 DBED CC#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)Cc2ccon2)C1 1069904274 QARDMFVKZZLKHC-KGLIPLIRSA-N 314.349 -0.126 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2ccnnc2C)C[C@@H]1n1ccnn1 1070227174 PAUYMLBEQILWJM-KGLIPLIRSA-N 311.349 -0.335 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)[C@H]4COCCO4)C[C@@]3(C1)O2 1070767198 SLONBCYHGUAKIK-IXYNUQLISA-N 306.362 -0.663 30 20 DBED N#Cc1cc(C(=O)N2C[C@@H]3C[C@@H]4CN(CCO)C[C@]3(C2)O4)c[nH]1 1070788569 VAVUHRKGLRJCIU-JGGQBBKZSA-N 316.361 -0.206 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CCCN(C(=O)CCS(C)(=O)=O)C1 1070955559 VEJUUTMJVTUPAB-WDEREUQCSA-N 315.395 -0.312 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CCCN(C(=O)CN2CCCNC2=O)C1 1070964906 FUWAAXMNFULVHF-VXGBXAGGSA-N 321.381 -0.331 30 20 DBED C=CCN1C[C@@H](NC(=O)c2cn(CC(N)=O)nn2)CC[C@H]1C 1072099516 SBRCFQOENWZVQA-MNOVXSKESA-N 306.370 -0.468 30 20 DBED C#CCNC(=O)CC(=O)N1CCC(C)(NC(=O)[C@H](C)C#N)CC1 1072962336 RBOKEOJIHDBNSC-GFCCVEGCSA-N 318.377 -0.217 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(C(=O)c2cnn[nH]2)C[C@@H]1C 1073820594 UTMSZMUIGGIQQA-WDEREUQCSA-N 307.354 -0.026 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCN(C(=O)CC(N)=O)C[C@@H]1C 1073959126 CKFAYGJZTISBKK-NWDGAFQWSA-N 309.366 -0.745 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@H]3OCCN(CCO)[C@H]3C2)cn1 1074387317 JBEBZVFQILQTTC-JKSUJKDBSA-N 315.373 -0.030 30 20 DBED C=CCOCC(=O)NCC[C@H](C)NC(=O)[C@@H]1CCC(=O)NC1 1075922476 UJASKSMCPFDHJC-NWDGAFQWSA-N 311.382 -0.274 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H](C)CCNC(=O)c1ncn(C)n1 1076374083 WVFXFDSCSOCIDX-IINYFYTJSA-N 309.370 -0.233 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCNC2=O)C1 1077123655 MUIQKPIQUNSHFX-GMTAPVOTSA-N 301.774 -0.574 30 20 DBED C[C@@H](CCNC(=O)c1cnn(C)n1)NC(=O)CSCC#N 1077384367 VJVJHAYEAXUQPW-VIFPVBQESA-N 310.383 -0.304 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3nncn3C2)C1 1078219671 JNUZDTJDGPWQRB-YNEHKIRRSA-N 305.382 -0.422 30 20 DBED C[C@@H](CCNC(=O)c1ccc(C(N)=O)[nH]1)NC(=O)[C@H](C)C#N 1078497463 KIGHCYYKIMPDDV-BDAKNGLRSA-N 305.338 -0.102 30 20 DBED C#CCCCC(=O)N1CCC(CO)(NC(=O)CNC(C)=O)CC1 1080685609 POCIAJUFWFYGCG-UHFFFAOYSA-N 323.393 -0.604 30 20 DBED CC(=O)N[C@@H](C)C(=O)NC1(CO)CCN(C(=O)[C@H](C)C#N)CC1 1080703092 OWEPLLMGFPPRON-MNOVXSKESA-N 324.381 -0.860 30 20 DBED C#CCOCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2CC=CC2)C1 1081358505 YZZJKEOZTJEDDH-LSDHHAIUSA-N 320.389 -0.072 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 1081463853 SQBRHWRKLFDQFQ-GJZGRUSLSA-N 302.374 -0.005 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](O)[C@H](CNC(=O)CN(C)C(C)C)C1 1081551085 NICPSODERUJBCX-HUUCEWRRSA-N 323.437 -0.079 30 20 DBED C=CCCCC(=O)N1C[C@H](O)[C@H](CNC(=O)Cn2cncn2)C1 1081787314 DOPVYRZCHMNFBF-OLZOCXBDSA-N 321.381 -0.430 30 20 DBED C=CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)C(=O)N1CC[C@H](C)C1 1083244315 RKBCQXGARDUIJH-MELADBBJSA-N 307.394 -0.048 30 20 DBED C=CCN1CC[C@@H](N2C[C@H](O)[C@H](NC(=O)c3ccco3)C2)C1=O 1083312297 GUYWVPUMQJIXDL-UPJWGTAASA-N 319.361 -0.159 30 20 DBED CCC(=O)N1CCCC[C@H]1C(=O)N[C@@H]1CN(CC#N)C[C@@H]1O 1083484066 TXBGSZQWZWCHFN-AGIUHOORSA-N 308.382 -0.538 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2cnc(C(F)(F)F)nc2)C1 1083552498 HTSYLGMDWXSXIP-ZJUUUORDSA-N 314.267 -0.097 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)C(=O)N2CCC[C@H](C)C2)C1 1083838504 ZFDOUSNBZAOYSD-MJBXVCDLSA-N 307.394 -0.571 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(Cc3ncccn3)C[C@@H]2O)cn1 1083970377 RVWCKDRWVVAITE-CABCVRRESA-N 323.356 -0.172 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CCN(CC(N)=O)C[C@H]21 1084715356 BJXRIZBSAZZJQJ-COMQUAJESA-N 307.394 -0.014 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2ccnc(OC)n2)[C@H](O)C1 1090423981 VGXOPFLQLCRXSG-WCQYABFASA-N 304.350 -0.327 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2cccc(NC(N)=O)c2)[C@@H](O)C1 1090799968 YFUUUEYYMKQRSA-KGLIPLIRSA-N 316.361 -0.025 30 20 DBED COC[C@H](OC)C(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@@H]1O 1091178136 UMAKHIRZOSDGGN-RDBSUJKOSA-N 320.349 -0.720 30 20 DBED Cc1cc(C#N)nc(N2CCN(C(=O)[C@H](C)CC(N)=O)CC2)n1 1093194621 UVPCKWTUUGXZLC-SNVBAGLBSA-N 316.365 -0.183 30 20 DBED N#Cc1ccc(NCCNC(=O)Cn2cnnn2)c([N+](=O)[O-])c1 1093505693 VDUAECKCMKLDJK-UHFFFAOYSA-N 316.281 -0.319 30 20 DBED C[C@@H](CC(=O)NCCN=c1cc[nH]c(C#N)n1)N1CCCC1=O 1093743596 UBOSRFAKOLNHRI-NSHDSACASA-N 316.365 -0.301 30 20 DBED N#Cc1cncc(NCCNC(=O)[C@H]2CCNC(=O)CC2)n1 1094024234 VRDSXABNCIOBBO-SNVBAGLBSA-N 302.338 -0.207 30 20 DBED Cc1nc(O)[nH]c1C(=O)NCCCN=c1cc[nH]c(C#N)n1 1094634270 BGCLNUJTXRVVAG-UHFFFAOYSA-N 301.310 -0.261 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)c3ccncc3F)CC2=O)C1 1094717881 PLKASSBPYZKBCD-LLVKDONJSA-N 316.336 -0.131 30 20 DBED CNC(=O)NCCC(=O)NCCCN(C)c1cncc(C#N)n1 1095538310 LEVGAQJZAWVKEZ-UHFFFAOYSA-N 319.369 -0.390 30 20 DBED C[C@@H](C(=O)N[C@H]1CCN(c2cncc(C#N)n2)C1)S(C)(=O)=O 1096502044 JCTHBTLGLAIDIZ-UWVGGRQHSA-N 323.378 -0.524 30 20 DBED C[C@H](CC(=O)NC[C@@H](C)Nc1cnc(C#N)cn1)NC(N)=O 1098076675 WAABCHDQEKQIAU-RKDXNWHRSA-N 305.342 -0.288 30 20 DBED Cn1cncc1CC(=O)N1CCC(N(CC#N)CCO)CC1 1098533016 ORSCHIHBPOCEBJ-UHFFFAOYSA-N 305.382 -0.229 30 20 DBED N#CCN1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2NC(=O)NC2=O)C1 1098881173 IHKKRPKAYZVDLD-BHDSKKPTSA-N 305.338 -0.921 30 20 DBED CNC(=O)NCCC(=O)N1C[C@H]2CC[C@H]1[C@H]1CN(CC#N)C[C@@H]21 1099468094 JCQRHMJFMDUTQT-RFGFWPKPSA-N 319.409 -0.002 30 20 DBED C=C(Cl)C(C)(C)C(=O)N[C@@H]1CCN(CC(N)=O)C[C@H]1O 1099850124 MSQWYDFPEPKRPG-NXEZZACHSA-N 303.790 -0.198 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2ccsn2)[C@H](O)C1 1099887263 BOTYCEXLWWVTOD-DGCLKSJQSA-N 309.391 -0.042 30 20 DBED C#CCNC(=O)CC(=O)NCCN(C)c1ccc(C#N)nn1 1100037472 AAWNMQOQTLWEFH-UHFFFAOYSA-N 300.322 -0.960 30 20 DBED C=CCCCN1CC[C@@H](NC(=O)CCn2cnnn2)[C@@H](O)C1 1100046430 LSSQADUHSQLXKS-OLZOCXBDSA-N 308.386 -0.419 30 20 DBED C=CCCN1CC[C@H](NC(=O)CS(=O)(=O)C(C)C)[C@@H](O)C1 1100116366 WRTVXWBSAPYPRW-STQMWFEESA-N 318.439 -0.063 30 20 DBED C[C@H]1CCN(CC(=O)NCC2CC(NCC(=O)NCC#N)C2)C1 1100678564 PBSXUVUYBZZVMW-HSBZDZAISA-N 321.425 -0.548 30 20 DBED CC#CCNC1CC(CNC(=O)CC[C@@H]2NC(=O)NC2=O)C1 1100959239 PDBHSRLSZBOOIP-MCIGGMRASA-N 306.366 -0.518 30 20 DBED C[C@H](CC(N)=O)C(=O)NC[C@H]1CCN(c2cnc(C#N)cn2)C1 1101035456 FGORFQVAACDXFF-GHMZBOCLSA-N 316.365 -0.198 30 20 DBED NC(=O)CN1CC2(C[C@@H](NC(=O)C#CC3CC3)c3nccn32)C1 1101629153 LDILHAMRYCXWDK-GFCCVEGCSA-N 313.361 -0.646 30 20 DBED CN(CCNc1cnc(C#N)cn1)C(=O)c1cn(C)c(=O)n1C 1101654474 HQNPKKWZSKWKJT-UHFFFAOYSA-N 315.337 -0.430 30 20 DBED CC[C@@H](CNC(=O)CN1CCOCC1)Nc1ccc(C#N)nn1 1103033947 DCMZJJFGNKIHAP-LBPRGKRZSA-N 318.381 -0.013 30 20 DBED C[C@H](CNC(=O)Cn1nccn1)CNc1nccnc1C#N 1104110031 HCDJBBASEPGPFV-SNVBAGLBSA-N 300.326 -0.196 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCN(C)C1=O)CNc1cncc(C#N)n1 1104159034 HWHRLPIODPPDTR-ZYHUDNBSSA-N 316.365 -0.009 30 20 DBED C[C@H](CNc1cncc(C#N)n1)N(C)C(=O)[C@@H]1COCCN1C 1104526744 HDFDXBLEGDDYPA-YPMHNXCESA-N 318.381 -0.062 30 20 DBED C[C@H](CNc1ccc(C#N)nn1)N(C)C(=O)CCn1cnnn1 1104647244 DUYRVVJQUBWNLG-SNVBAGLBSA-N 315.341 -0.316 30 20 DBED C=CCNCC[C@@H]1CN(C(=O)C[C@H](NC(C)=O)C(N)=O)C[C@H]1C 1104756594 AGEATZKXTSOQHD-BNOWGMLFSA-N 324.425 -0.373 30 20 DBED C#CCNCC[C@@H]1CN(C(=O)[C@H]2CN(C(C)=O)CCO2)C[C@H]1C 1104967516 SIDCFNAJTIBFTJ-FVQBIDKESA-N 321.421 -0.059 30 20 DBED CC#CCNCc1cn(C2CN(C(=O)Cn3cncn3)C2)nn1 1105371277 KTSFPWDJIOCBKY-UHFFFAOYSA-N 314.353 -0.934 30 20 DBED CN(CCN(C)c1cncc(C#N)n1)C(=O)c1cnn(C)c1N 1105375144 NKEUQFRHBIHPOG-UHFFFAOYSA-N 314.353 -0.128 30 20 DBED CN(CCN(C)c1ccnc(C#N)n1)C(=O)C[C@@H]1CCNC1=O 1105483521 QXXQUIYZCDKMAG-NSHDSACASA-N 316.365 -0.231 30 20 DBED CN(CCN(C)c1ccnc(C#N)n1)C(=O)[C@H]1C[C@H]1C(N)=O 1105559555 QJIFRIGCGLGBKX-ZJUUUORDSA-N 302.338 -0.636 30 20 DBED CC(C)(C)OCC(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1 1105830978 SVXMZKJFLNYICR-JTQLQIEISA-N 307.354 -0.526 30 20 DBED N#Cc1cncc(NC[C@H](O)CNC(=O)CO[C@H]2CCOC2)n1 1105972622 OBUVYHILDHOVFQ-RYUDHWBXSA-N 321.337 -0.957 30 20 DBED C[C@@]1(C(=O)NC[C@@H](O)CNc2ncccc2C#N)CCNC1=O 1106104093 HLOZIUUJQCQRTN-XHDPSFHLSA-N 317.349 -0.632 30 20 DBED CCN(CCNc1ccc(C#N)nn1)C(=O)[C@H]1CCC(=O)N1 1106706091 SHGKACRVFFMMSW-LLVKDONJSA-N 302.338 -0.113 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)[C@@H]1COC(=O)N1 1106755025 XLQWLBKDBDTELB-VIFPVBQESA-N 304.310 -0.861 30 20 DBED CNC(=O)NCCC(=O)NC/C=C\CN=c1cc[nH]c(C#N)n1 1107151502 MPHKJUBDYSWHQQ-IHWYPQMZSA-N 317.353 -0.826 30 20 DBED N#Cc1ccc(NC/C=C/CNC(=O)[C@H]2CNC(=O)N2)nc1 1107493097 ZLNPUPOHWSBIAI-FMBMQGQPSA-N 300.322 -0.281 30 20 DBED Cn1ncnc1CN1CCO[C@@](C)(CNC(=O)C#CC2CC2)C1 1107932023 DOSYJXLGTZZKFN-INIZCTEOSA-N 317.393 -0.064 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)[C@@H]2CCC(=O)N(C)C2)C1 1108422516 VUFSUTHPNBNUJI-CJNGLKHVSA-N 307.394 -0.305 30 20 DBED C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1109072615 JUOPKYVCCNFCMT-AGIUHOORSA-N 306.366 -0.450 30 20 DBED C[C@H](CN(C)c1ccc(C#N)nn1)NC(=O)[C@H]1CC(=O)N(C)C1 1109295624 LMLOBBOIVIZFMD-MNOVXSKESA-N 316.365 -0.233 30 20 DBED CN(CCCNc1ccc(C#N)nn1)C(=O)Cn1ncnn1 1109528503 VETKOIAGYUHZMJ-UHFFFAOYSA-N 301.314 -0.705 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@]1(C)CCOC1 1109882585 HLTGTAHRPDOGTP-XJIUQZFPSA-N 319.405 -0.116 30 20 DBED C#CCNC(=O)CC(=O)NCC1(Nc2ccnc(C)n2)CC1 1110105498 FMYREGDZLINRLD-UHFFFAOYSA-N 301.350 -0.015 30 20 DBED CNC(=O)CC(=O)NC1(C)CCN(c2nccnc2C#N)CC1 1110584380 NSAPZTTXDKJVLV-UHFFFAOYSA-N 316.365 -0.041 30 20 DBED COC[C@H](C)C(=O)N(C)[C@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1111175544 JZTQNDJXBDYQMK-DRZSPHRISA-N 319.365 -0.361 30 20 DBED CN(C(=O)CC(C)(C)O)[C@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1111181471 XSJBOMIITVARBU-QWRGUYRKSA-N 319.365 -0.483 30 20 DBED CC(=O)NCC(=O)N1CC[C@H]([C@H](C)N=c2cc[nH]c(C#N)n2)C1 1111202710 BQWQYNJMYNCAFC-JQWIXIFHSA-N 316.365 -0.445 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCNC(N)=O 1111374382 KXRATAHVAWOKDM-UPJWGTAASA-N 308.382 -0.584 30 20 DBED COCCOCC(=O)N(CCO)CCNc1ccc(C#N)nc1 1111435821 FYFNBWUUGQEVRT-UHFFFAOYSA-N 322.365 -0.151 30 20 DBED N#Cc1c[nH]ccc1=NCCN(CCO)C(=O)c1cocn1 1111444926 CSAXVDZAUCPCHW-UHFFFAOYSA-N 301.306 -0.090 30 20 DBED CO[C@@H](C(=O)N(CCO)CCN=c1cc[nH]c(C#N)n1)C1CC1 1111459265 VJYZKWPAETUBNZ-CQSZACIVSA-N 319.365 -0.572 30 20 DBED CC(C)N(C)CC(=O)N(CCO)CCN=c1cc[nH]c(C#N)n1 1111480979 TWSPXYCBCKLNOA-UHFFFAOYSA-N 320.397 -0.657 30 20 DBED C[C@H](NC(=O)Cn1cnnc1O)[C@H](C)Nc1ccc(C#N)nn1 1112977498 BFHIBIICACRCBM-IUCAKERBSA-N 316.325 -0.349 30 20 DBED C[C@H](NC(=O)c1cnn(C)n1)[C@@H](C)N=c1cc[nH]c(C#N)n1 1113092220 VHTYQTVRCMMOTO-BDAKNGLRSA-N 300.326 -0.482 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)c2c(C)cnn2C)CC1 1113218258 XCJJFDMGOCYTTD-ZDUSSCGKSA-N 317.393 -0.376 30 20 DBED C#Cc1cncc(C(=O)N2CCN(CCOCCO)CC2)c1 1113330995 BYMPVCCFDQQTPB-UHFFFAOYSA-N 303.362 -0.170 30 20 DBED C[C@@H](CNC(=O)c1cnnn1C)N(C)c1cnc(C#N)cn1 1113589413 VAXDMERBZREKDI-VIFPVBQESA-N 300.326 -0.269 30 20 DBED COCC#CCN1CCN(C(=O)[C@H]2CCCC(=O)N2C)CC1 1113592250 CXMHVQPFGGPDNJ-CQSZACIVSA-N 307.394 -0.209 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)c3cnccn3)[C@H]2C1 1113790699 KTABHLXQXAQACM-CIQGVGRVSA-N 313.361 -0.726 30 20 DBED Cc1noc(C)c1C(=O)NC1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]12 1113840460 ZZHBTMNNSYWFBB-GHMZBOCLSA-N 317.349 -0.409 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)COC3CCCC3)[C@H]2C1 1113937429 FTRDNTKVQYGESK-HALDLXJZSA-N 319.405 -0.259 30 20 DBED C=CCOCC(=O)NC1[C@@H]2CN(CC(=O)NCC3CC3)C[C@@H]12 1114051357 UIMCYTHKEGVXTI-CHWSQXEVSA-N 307.394 -0.238 30 20 DBED C=CCCN1C[C@H]2[C@H](NC(=O)[C@H](C)NS(=O)(=O)CC)[C@H]2C1 1114311928 WVWIIOXVTYXTCO-WUHRBBMRSA-N 315.439 -0.063 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)[C@@]34CCC[C@@H]3C4)[C@@H]2C1 1114596890 FSTNIIPCBGPJND-HPTBWKMGSA-N 301.390 -0.028 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)c3ccn(CC)n3)[C@@H]2C1 1114921528 OTDUPEMRXXFUFI-VXGBXAGGSA-N 317.393 -0.135 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)CN(C)CCC)[C@H]2C1 1115161907 PBDUFIBMHJOFOU-TTZDDIAXSA-N 320.437 -0.488 30 20 DBED CC(C)[C@@H](CCNC(=O)CNC(N)=O)Nc1ccc(C#N)nn1 1115277261 SGQSEMWTBDGXLP-LLVKDONJSA-N 319.369 -0.041 30 20 DBED N#CCN1C[C@H]2[C@H](NC(=O)CNC(=O)NCc3ccco3)[C@H]2C1 1115288559 UVWNENZQYOIOOT-IMRBUKKESA-N 317.349 -0.351 30 20 DBED N#Cc1ccc(NCCCOCCNC(=O)c2nc[nH]n2)nn1 1115417639 WGKGZOVQNCCNNF-UHFFFAOYSA-N 316.325 -0.285 30 20 DBED N#CCCCCN[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 1116345743 GGRWSSJTKAZTSS-OLZOCXBDSA-N 301.412 -0.232 30 20 DBED C=CCN1CC[C@@H](OC(=O)Cn2ncn3nccc3c2=O)C1=O 1116901791 SYDNTDDNMLPDRO-LLVKDONJSA-N 317.305 -0.779 30 20 DBED C=CCNC(=O)CNC(=O)NC1CCC2(CC1)NC(=O)NC2=O 1117329920 UZFWKJPWCIZKQM-UHFFFAOYSA-N 323.353 -0.891 30 20 DBED Cc1ncc(Br)c(C(=O)NCC(=O)NCC#N)n1 1117524646 JYWYOBAVIHBCOI-UHFFFAOYSA-N 312.127 -0.083 30 20 DBED C=CCS(=O)(=O)CCn1nnnc1N(C)C[C@@H](C)OC 1120196003 IZVOVIYXQZUNLN-SNVBAGLBSA-N 303.388 -0.255 30 20 DBED C#CCNC(=O)CC(=O)NC1CC2(C1)CC(N[C@@H](C)C(N)=O)C2 1120981213 RWLCOTBPUVFALW-MJMQAPBISA-N 320.393 -0.983 30 20 DBED Cn1ncc(C(=O)NC[C@@H](CO)Nc2ccc(C#N)cn2)c1N 1121331531 HGGWMKXVEWZOKI-JTQLQIEISA-N 315.337 -0.528 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)C2CCC(O)CC2)nn1 1121497883 REPQVLTZYZFCOX-YXMLORGKSA-N 319.365 -0.212 30 20 DBED Cc1nocc1C(=O)NC[C@@H](CO)Nc1cncc(C#N)n1 1122438647 VXOFJXWWTHZPEH-JTQLQIEISA-N 302.294 -0.153 30 20 DBED CNC(=O)NCC(=O)N1CC[C@@H](N=c2cc[nH]cc2C#N)[C@@H]1C 1123112700 ZFOZRJQTVCMQGP-CMPLNLGQSA-N 316.365 -0.295 30 20 DBED COC(=O)NCC(=O)N1C[C@@H](N=c2cc[nH]c(C#N)n2)C[C@@H]1C 1123213195 JVROOZDWIIXFAT-UWVGGRQHSA-N 318.337 -0.473 30 20 DBED C[C@@H]1[C@H](NC(=O)CNC(N)=O)CCCN1c1ccc(C#N)nn1 1123515550 XWBMVYMWYAYMEW-MWLCHTKSSA-N 317.353 -0.510 30 20 DBED Cc1n[nH]c(C)c1NC(=O)CNCCNC(=O)CSCC#N 1123799419 QYCCQGHEBPQXBZ-UHFFFAOYSA-N 324.410 -0.072 30 20 DBED CC(C)N(C)CC(=O)N(C)C[C@H](O)CNc1ccc(C#N)nn1 1124381807 PKZXOTLCPLAWHF-CYBMUJFWSA-N 320.397 -0.080 30 20 DBED CN(C[C@@H](O)CN(C)c1cnc(C#N)cn1)C(=O)c1cnon1 1125139731 NOVOYIGVKGLDSX-JTQLQIEISA-N 317.309 -0.699 30 20 DBED CC#CCN1CCn2ncc(CNC(=O)Cn3ncnn3)c2C1 1128356368 XCYUZUFEGHTIDA-UHFFFAOYSA-N 314.353 -0.975 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@H]1CCn2cncc2C1 1130400780 HZZPDFNIEPPWLO-LBPRGKRZSA-N 305.382 -0.547 30 20 DBED C#CCCN1CCOC[C@H]1c1n[nH]c(CNC(=O)CCOC)n1 1130826460 ZQLQRKOMEOGSID-LBPRGKRZSA-N 321.381 -0.146 30 20 DBED C=CCOCCN1CCNC(=O)CCN(C(=O)COC)CC1 1131316643 QDWHUVNJTRVZQT-UHFFFAOYSA-N 313.398 -0.514 30 20 DBED CC(C)C#CC(=O)N1CCC(=O)NCCN([C@H](C)C(N)=O)CC1 1131357376 SRAHJTUICOBLKC-CYBMUJFWSA-N 322.409 -0.830 30 20 DBED C[C@H]1CCc2n[nH]cc2[C@@H]1C(=O)NCCNCC(=O)NCC#N 1131513525 HBTYZNACQHJNMK-IINYFYTJSA-N 318.381 -0.579 30 20 DBED C[C@@H]1CC[C@H](NC(=O)c2ncc[nH]2)CN1CC(=O)NCC#N 1132005627 ALNURGHUHYDULT-MNOVXSKESA-N 304.354 -0.368 30 20 DBED C#CCNC[C@@H]1CN(C(=O)c2cnc(O)n(C)c2=O)CC[C@H]1C 1133026669 OCWUXJRFUAWKNE-VXGBXAGGSA-N 318.377 -0.193 30 20 DBED C=CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)COCCOC 1133926827 NKRGVEWXXYEQDC-OLZOCXBDSA-N 315.414 -0.176 30 20 DBED C=CCn1cc(C(=O)NCCNC[C@H]2CCNC(=O)CC2)nn1 1134969053 CAXUTGXUZKPNBJ-GFCCVEGCSA-N 320.397 -0.300 30 20 DBED C[C@@H](C[C@H](C)NC(=O)CCn1ccnc1)NCC(=O)NCC#N 1135132840 VDPJRLVBRONMOP-STQMWFEESA-N 320.397 -0.214 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)CN(CC)CC 1135511175 KFEPSWLUIMRXQY-UHFFFAOYSA-N 313.402 -0.954 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)c1cccnn1 1135631714 GXSMSFOEZAQYMB-JTQLQIEISA-N 320.353 -0.804 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)c1cccnn1 1135632101 VXIKEPYAUASCQA-UHFFFAOYSA-N 303.366 -0.003 30 20 DBED C[C@@H](C[C@H](C)NC(=O)Cn1ccnc1)NCC(=O)NCC#N 1146780661 YKSOHXJMRLLFIO-RYUDHWBXSA-N 306.370 -0.604 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)C(=O)N1CC[C@@H](C)C1 1147195711 QFHFWINYRFCANX-VXGBXAGGSA-N 310.398 -0.749 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1c(OC)ccnc1O 1148027377 XUVPYICBPZNHBG-UHFFFAOYSA-N 308.338 -0.583 30 20 DBED C=C(C)CN1CCC2(C1)CN(C(=O)CS(=O)(=O)NC)C2 1148783477 HUDYAMPWLKBCQP-UHFFFAOYSA-N 301.412 -0.354 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CN(CC(=O)NCC2CC2)CCCO1 1149399850 UYQWPEYQSVWBIA-OCCSQVGLSA-N 322.409 -0.121 30 20 DBED CCN(CC(=O)NC(N)=O)[C@H](C)CNC(=O)c1cc(C#N)c[nH]1 1152628293 NFSYBDQLLCHVIM-SECBINFHSA-N 320.353 -0.479 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)[C@@]12COC[C@@H]1C2 1153459043 UYTUPUXRGOIKCO-XUJVJEKNSA-N 308.382 -0.511 30 20 DBED CC[C@@H](C(=O)NC[C@@H](C)N(CC)CC(=O)NCC#N)N(C)C 1155289438 SLWOVYGVILRIKZ-OLZOCXBDSA-N 311.430 -0.207 30 20 DBED C=CCCN(CC)[C@H](C)CNC(=O)CNS(=O)(=O)N(C)C 1155528478 IPIPLZFNEZWJIU-GFCCVEGCSA-N 320.459 -0.215 30 20 DBED C#CCCCCC(=O)NCCCNCCN1C(=O)CNC1=O 1156827680 GZOPRDQPQPISTG-UHFFFAOYSA-N 308.382 -0.172 30 20 DBED C=CCO[C@@H](C)C(=O)NC[C@@H](C)N(CC)CC(=O)NC(N)=O 1157217325 NJQPGGBOWMSNAY-MNOVXSKESA-N 314.386 -0.401 30 20 DBED C#CCNC(=O)CNCCCNC(=O)Cc1cc(C2CC2)no1 1159754776 YXKBIOBTFMOQNK-UHFFFAOYSA-N 318.377 -0.060 30 20 DBED N#CCNC(=O)CNCCCNC(=O)[C@@H]1CCc2nccn2C1 1161301892 ZTKMNDUQGMZCQC-GFCCVEGCSA-N 318.381 -0.819 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)CCOCCOC)C[C@H]21 1177161754 GQFHCZAGBHCNKR-CABCVRRESA-N 310.394 -0.026 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@H](C)C1CCOCC1 1177591341 MLLYNVQETNCBSD-CYBMUJFWSA-N 309.410 -0.106 30 20 DBED CNS(=O)(=O)CC(=O)N1C[C@H]2CC[C@H]1[C@@H](CNCC#N)C2 1177947460 VDWMWKQCJAZVMS-TUAOUCFPSA-N 314.411 -0.724 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)Cc2cncnc2)C1 1182203456 AZNHIQIHTDXCSV-TZMCWYRMSA-N 315.377 -0.653 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H]2CCN(C(=O)c3cnn[nH]3)[C@@H]2C1 1188428368 RYGFYNDICHNLKZ-GMXVVIOVSA-N 318.381 -0.358 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)C(=O)C(C)(C)C)C1 1189418339 KUEUHRILYSRPDG-LBPRGKRZSA-N 307.394 -0.116 30 20 DBED CC#CCN(C)[C@@H]1CCN(C(=O)[C@@H](C)NS(=O)(=O)CC)C1 1190277987 DEXPIGPHYGIOKG-CHWSQXEVSA-N 315.439 -0.130 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)c2ccoc2)C1 1191005497 SDEQAMIVLOIMHF-RAIGVLPGSA-N 305.334 -0.808 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2ccnnc2C)C1 1191161506 IWPLFVONRWLLGH-ZDUSSCGKSA-N 315.377 -0.319 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)[C@H](C)OCC(C)C)C1 1191439456 DOGNOAKFTSACMB-RRFJBIMHSA-N 312.410 -0.141 30 20 DBED COCCOCCN1C[C@@H](O)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 1192249790 UYMIXFDQLWFZTM-ZIAGYGMSSA-N 322.365 -0.676 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)CC2(OC)CCC2)C1 1192540802 URZHLEQUIQRYCL-ZIAGYGMSSA-N 310.394 -0.243 30 20 DBED C#CCCN(C)[C@H]1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)C1 1192876650 HJOKZFRCPBNHOS-ZDUSSCGKSA-N 318.377 -0.517 30 20 DBED N#CCNC(=O)CN1CCCN(C(=O)c2ccccn2)CC1 1194638437 AYWAPNFPJPJRJJ-UHFFFAOYSA-N 301.350 -0.131 30 20 DBED C#CCOCCC(=O)N1CCC(N[C@@H]2CCC(=O)NC2=O)CC1 1200523244 NQAVSDQTPNTKPR-CYBMUJFWSA-N 321.377 -0.588 30 20 DBED C#CCNC[C@@H]1CN(C(=O)c2nnn(C(C)(C)C)n2)CCCO1 1200554966 NHNFLQWYZDNVJE-GFCCVEGCSA-N 320.397 -0.118 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)[C@@H](C)S(C)(=O)=O)CCCO1 1200816261 ZGSHNCUSXJKPKI-CHWSQXEVSA-N 316.423 -0.350 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2cc(C)nn2C)[C@H](C)C1 1206273776 LSRWYROPBOQKPF-DGCLKSJQSA-N 317.393 -0.472 30 20 DBED COCCCNC(=O)CN1C[C@@H](NC(=O)C#CC2CC2)[C@H](C)C1 1206948515 PCGZMIOYYMYTJL-UKRRQHHQSA-N 321.421 -0.011 30 20 DBED CN1CCCC[C@H]1C(=O)N1CCC[C@H](NCC(=O)NCC#N)C1 1208424410 YLTMCOBRALQUQS-KBPBESRZSA-N 321.425 -0.309 30 20 DBED C[C@]1(C(=O)N2CCC[C@H](NCC(=O)NCC#N)C2)CCOC1 1210315322 NHEWBPZUAJUXGO-WFASDCNBSA-N 308.382 -0.367 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)CCn2cncn2)C[C@H]1C 1214149522 MLQXBJOSGBVJKJ-ZIAGYGMSSA-N 305.382 -0.246 30 20 DBED C#CCCN[C@@H]1CN(C(=O)CCCS(N)(=O)=O)C[C@H]1C 1215431824 POZLSVJZMPCEGN-VXGBXAGGSA-N 301.412 -0.485 30 20 DBED C=C(C)CCC(=O)N1CCO[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1218032224 GUQUVEXZRLSOQF-UONOGXRCSA-N 320.393 -0.106 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H](C)C(C)C 1218709305 OTRVSFNCTPBTNC-QLFBSQMISA-N 321.421 -0.061 30 20 DBED N#CCSCC(=O)N[C@@H]1CN(C[C@H]2CCCOC2)C[C@@H]1O 1219219830 OZAMNRJUJGBNHJ-UPJWGTAASA-N 313.423 -0.169 30 20 DBED C=CCN1CC[C@H](N2C[C@H](O)[C@H](NC(=O)C#CC(C)C)C2)C1=O 1219587724 RXZIASFTFRGNNG-ILXRZTDVSA-N 319.405 -0.406 30 20 DBED C=CCCC1(C(=O)N[C@@H]2CN(Cc3nc(O)n[nH]3)C[C@@H]2O)CC1 1220282571 MHUKSHZTWZUOGO-MNOVXSKESA-N 321.381 -0.082 30 20 DBED C[C@H](NC(=O)CC1CCCC1)C(=O)N[C@@H]1CN(CC#N)C[C@@H]1O 1220548039 TZWKVQRJBUTSOU-YUTCNCBUSA-N 322.409 -0.244 30 20 DBED O=C(CC#Cc1ccccc1)N[C@@H]1CN(CCCO)C[C@@H]1O 1221046433 MNTDNPWFDGWWDP-CVEARBPZSA-N 302.374 -0.028 30 20 DBED C#CCCN1CC[C@@H]2CN(C(=O)[C@H](C)NC(=O)COC)[C@@H]2C1 1221570144 WCVOAXTWELTOSV-BFHYXJOUSA-N 307.394 -0.307 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C)O3)[C@@H]2C1 1221820409 DDHGQPHKTXGGIT-KBUPBQIOSA-N 319.405 -0.164 30 20 DBED C#CCOCCC(=O)NCC1CCN(C[C@H](O)COC)CC1 1223174807 NFOPWMHXKWQXSQ-HNNXBMFYSA-N 312.410 -0.138 30 20 DBED CC(=O)CCCC(=O)NC1CCN(CC(=O)NCC#N)CC1 1226038038 FHAPEQSNXXQPFC-UHFFFAOYSA-N 308.382 -0.034 30 20 DBED C[C@]1(CC(=O)NC2CCN(CC#N)CC2)CCS(=O)(=O)N1 1230133554 SRVRIRVZQZADJY-CYBMUJFWSA-N 314.411 -0.438 30 20 DBED Cc1ncc(C(=O)N(C)C[C@H]2CCN2CC(=O)NCC#N)[nH]1 1231208567 JBIVVODYHCSWPT-LLVKDONJSA-N 304.354 -0.496 30 20 DBED C[C@@H](C#N)C(=O)N(C)C[C@H]1CCN1CC(=O)NC(=O)NC1CC1 1231245714 AQHCCILJMRCDOB-CMPLNLGQSA-N 321.381 -0.333 30 20 DBED Cc1nnc(CC(=O)N(C)C[C@H]2CCN2CC(=O)NCC#N)o1 1234086893 DYVYLCWVUCLXIR-LLVKDONJSA-N 320.353 -0.907 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@@H](NC(=O)c2cc(C)[nH]n2)C1 1265273613 SODGBMAWQKBYRG-NWDGAFQWSA-N 303.366 -0.340 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCC[C@H](c2n[nH]c(C)n2)C1 1323025308 AYXOMEYJCBAVTF-LBPRGKRZSA-N 319.365 -0.415 30 20 DBED CNC(=O)[C@@H](C)CN(C)C(=O)C(=O)Nc1ccc(C#N)cn1 1324239343 FLQXXEZPDMCDOE-VIFPVBQESA-N 303.322 -0.268 30 20 DBED N#CCCC[C@@H](N)C(=O)N1CCN(c2nc(N)ns2)CC1 1326059521 AVTNJUMRWFEYHR-SECBINFHSA-N 309.399 -0.210 30 20 DBED CC#CC[C@@H](CO)NC(=O)C1CCC2(CC1)NC(=O)NC2=O 1327172060 URPALTSNFHTNPI-VTWZXRTESA-N 307.350 -0.355 30 20 DBED COC[C@@]1(CO)CCN(C(=O)C(=O)N2CCC[C@@H](CC#N)C2)C1 1327749718 PNXBUZNFSONVBU-BBRMVZONSA-N 323.393 -0.004 30 20 DBED C=C(CC)CNC(=O)C(=O)N[C@@H]1CCN(C2CCOCC2)C1=O 1330447422 ZOUUBUAFFGKVIA-CYBMUJFWSA-N 323.393 -0.035 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2CCC[C@H](C#N)C2)C1=O 1335543948 MYRJPMDQKPYXTN-CHWSQXEVSA-N 318.377 -0.006 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N1CC[C@H](C2OCCO2)C1 1336338024 TUAHBSHMHCRXEY-ZDUSSCGKSA-N 304.346 -0.307 30 20 DBED C#CCSCCNC(=O)C(=O)N1CCC2(CC1)CNC(=O)C2 1346611065 VEBYMEFCUGZHMK-UHFFFAOYSA-N 323.418 -0.402 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CCN(CC(C)(C)O)CC1 1347038414 FXVYLYJONHAXGD-GFCCVEGCSA-N 313.398 -0.781 30 20 DBED C=CCN1CCC(NC(=O)C(=O)NCc2cnnn2CC)CC1 1349253421 WJQUIPRPSLIQQI-UHFFFAOYSA-N 320.397 -0.319 30 20 DBED CC1(C)COC(=O)[C@@H]1NC(=O)CCn1cc(C#N)c(O)nc1=O 1362640129 SOHRXQKEKUYTDH-JTQLQIEISA-N 320.305 -0.722 30 20 DBED CCS(=O)(=O)CCn1c(=O)c(C#N)c(C)n(C2CC2)c1=O 1364311820 VGNUYEQLLVASGQ-UHFFFAOYSA-N 311.363 -0.040 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)NC[C@H]1CCCN(C(N)=O)C1 1364874269 ZQBREFSTSIAATN-GHMZBOCLSA-N 317.415 -0.297 30 20 DBED C[C@@H](CN(C)C(=O)c1cn(C)c(=O)n1C)NC(=O)[C@@H](C)C#N 1370531702 BEZXWJOJRZPUSL-UWVGGRQHSA-N 307.354 -0.540 30 20 DBED CCc1noc(COCC(=O)N[C@H](C)CNC(=O)[C@@H](C)C#N)n1 1387081764 BCUHQCKLTHVCPE-VHSXEESVSA-N 323.353 -0.071 30 20 DBED Cc1c[nH]c(CC(N)=O)c1C(=O)N(C)CCNC(=O)[C@@H](C)C#N 1387084110 XQGJHNPPJVCWGC-VIFPVBQESA-N 319.365 -0.301 30 20 DBED CNC(=O)NCCC(=O)NC[C@@H]1CCCN1C(=O)[C@H](C)C#N 1387350823 ZPSHFIUAFSCACN-MNOVXSKESA-N 309.370 -0.428 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CCCN1C(=O)[C@H]1CCC(=O)N1C 1399279888 CITJJMFTSZEQBB-IJLUTSLNSA-N 306.366 -0.126 30 20 DBED C=C(Cl)CN(C)CCNC(=O)CN1CCN(C)C(=O)C1 1399516932 OQJIPPIWBYHYSD-UHFFFAOYSA-N 302.806 -0.439 30 20 DBED CC[C@H]1CN(C(=O)Cn2cc(C#N)c(O)nc2=O)[C@@H](C)CO1 1418312885 SZAOPJRFIZXNTK-ONGXEEELSA-N 306.322 -0.154 30 20 DBED CC(=O)N[C@@H](C)C(=O)N1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 1429457814 PWPMCQCSGLLHSQ-JTQLQIEISA-N 317.349 -0.305 30 20 DBED CCS(=O)(=O)CC(=O)N1CC[C@@H](NC(=O)[C@H](C)C#N)C1 1429873737 OENSDPYIJZJPTP-NXEZZACHSA-N 301.368 -0.702 30 20 DBED C[C@@H](C#N)C(=O)N(CCNC(=O)[C@@H]1CCC(=O)N1C)C1CC1 1449911620 IMRLBHVZJRHNLX-JQWIXIFHSA-N 306.366 -0.126 30 20 DBED C[C@H](C#N)C(=O)NC[C@@](C)(NC(=O)c1ncn(C)n1)C1CC1 1451256612 HPCVPJNAULWJPS-YMTOWFKASA-N 304.354 -0.011 30 20 DBED CNC(=O)Cc1noc(CNC[C@H](C)CNC(=O)[C@H](C)C#N)n1 1495633274 NNAACINJDPHNBC-VHSXEESVSA-N 322.369 -0.640 30 20 DBED CC(=O)NCC(=O)N1C[C@H]2CCN(C(=O)[C@H](C)C#N)C[C@H]2C1 1520121915 MGHAJUDFEVZJSA-RTXFEEFZSA-N 306.366 -0.411 30 20 DBED N#Cc1nc(NC(=O)CCN2CC[C@@H](F)C2)[nH]c1-c1nn[nH]n1 1570921763 NTHHLLPTACAUOF-SSDOTTSWSA-N 319.304 -0.166 30 20 DBED COC(=O)[C@H]1C[C@@H](N(C)c2cnc(C#N)c(-c3nn[nH]n3)n2)C1 1579474570 LXIPHTSQHHQRAA-OCAPTIKFSA-N 314.309 -0.084 30 20 DBED N#C[C@H]1CNCC12CC(C(=O)N1CCC[C@@H](CO)[C@H]1CO)C2 1580041528 BVYJIFIAMNZEHU-NSVFMMHJSA-N 307.394 -0.282 30 20 DBED C=CCOCCNC(=O)N[C@@H]1CCCCN(CC(=O)O)C1=O 1588466229 BCCOPYCWPKJRBY-LLVKDONJSA-N 313.354 -0.046 30 20 DBED C=C(C)C[C@H](NS(=O)(=O)c1cn(C)c(=O)nc1O)C(=O)O 1588555413 ICJPQXMQBFSCCE-ZETCQYMHSA-N 317.323 -0.816 30 20 DBED COC(=O)[C@@H]1CN(C(=O)c2cc(C#N)ccn2)C[C@H]1C(=O)O 1598818850 RQASLXKYSNRRRH-NXEZZACHSA-N 303.274 -0.101 30 20 DBED N#CCN1CCC(NC(=O)N2CCC([C@@H](O)C(=O)O)CC2)CC1 1601073246 KALUKWZEGZSDNI-CYBMUJFWSA-N 324.381 -0.159 30 20 DBED N#Cc1cccnc1NCCN(CCO)C(=O)[C@@H]1C[C@@H]1C(=O)O 1601128063 GMULXMKNNHSZJX-NEPJUHHUSA-N 318.333 -0.093 30 20 DBED C#CCN(CC(=O)O)C(=O)C(=O)Nc1cc(OC)cnc1F 1602679312 NOBNXKZTOSWZRK-UHFFFAOYSA-N 309.253 -0.286 30 20 DBED C#CCN(CC(=O)OC(C)(C)C)[C@H]1CCN(CC(=O)O)C1=O 1602700862 MAIGRVFBPPMSQE-NSHDSACASA-N 310.350 -0.051 30 20 DBED C#CCN1C[C@@H]2CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)[C@@H]2C1 1602722354 NWVAYTJWJPNZOW-GXFFZTMASA-N 311.349 -0.026 30 20 DBED C=CCCCNC(=O)C(=O)N1CC[C@H](n2cc(C(=O)O)nn2)C1 1602875109 WMXZLCSEMSAYGG-JTQLQIEISA-N 321.337 -0.168 30 20 DBED CC(=O)c1cn(CC(=O)N2CCC(C#N)(C(=O)O)CC2)nn1 1603123408 BITVEILIDMHAFT-UHFFFAOYSA-N 305.294 -0.302 30 20 DBED N#C[C@@H]1CSCCN1C(=O)CN1CCC[C@@H](C(=O)O)C1=O 1608178873 CTNRMDRJCFSCIO-NXEZZACHSA-N 311.363 -0.223 30 20 DBED C#CC[C@@H](NC(=O)[C@@H](C(C)C)N1CCCS1(=O)=O)C(=O)O 1609076542 PRBSVQNJAOXBCR-GHMZBOCLSA-N 316.379 -0.361 30 20 DBED CN(CCC#N)S(=O)(=O)N1CCC2(CC1)COC(=O)N2 1649748048 HKXGFLTVQGHZOQ-UHFFFAOYSA-N 302.356 -0.349 30 20 DBED C=CCNC(=O)CN1CCC[C@@H](NC(=O)CCn2ccnn2)C1 1731352925 CHDXBOPRFYOUHK-CYBMUJFWSA-N 320.397 -0.449 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)CCCNC(=O)Cc1[nH]cnc1C 1752103265 GZJVMGRRFYVDIK-CYBMUJFWSA-N 319.409 -0.163 30 20 DBED COCC#CCN1CCC[C@@H](CNC(=O)c2cnn(C)n2)C1 1752786952 CORVKUTXFUEYOJ-ZDUSSCGKSA-N 305.382 -0.093 30 20 DBED COCC#CCN[C@@H](C)CNC(=O)Cn1c(C)cc(C)nc1=O 1752908262 BRKJFXYHUHNENT-ZDUSSCGKSA-N 320.393 -0.396 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCN(C)Cc1nnnn1C 1753066343 QOMWJERASKKDDM-AAEUAGOBSA-N 308.386 -0.261 30 20 DBED CO[C@H](C(=O)NC[C@H]1CCN(CC(=O)NCC#N)C1)C(C)C 1753132708 CGWWMBVWPAFCGH-OCCSQVGLSA-N 310.398 -0.265 30 20 DBED C#CCNC(=O)CN1CC(NC(=O)COC2CCCCC2)C1 1753380278 GCULXHTTXGTATI-UHFFFAOYSA-N 307.394 -0.115 30 20 DBED C=CCN1CC[C@H](NC[C@H](C)CNC(=O)Cc2nc[nH]n2)C1=O 1753638228 LNWGGCGTSSZAKJ-RYUDHWBXSA-N 320.397 -0.524 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@@H](C)CNC(=O)c1[nH]cnc1C 1753646973 BKAGZZDZYUNSFP-ZYHUDNBSSA-N 305.382 -0.188 30 20 DBED CO[C@H](C(=O)NC[C@H]1CN(CC#N)CCO1)c1cnn(C)c1 1753651541 OZADTUGWZKMUIA-STQMWFEESA-N 307.354 -0.552 30 20 DBED C#CCN[C@@H]1CCN(C(=O)CCNS(C)(=O)=O)C[C@@H]1C 1753755813 WLIKQPFKLKMNIW-NWDGAFQWSA-N 301.412 -0.615 30 20 DBED C#CCCN1CC[C@@H]1CNC(=O)C[C@@]1(C)CCS(=O)(=O)N1 1754500576 LEBCDKGKMMGETO-TZMCWYRMSA-N 313.423 -0.328 30 20 DBED CCc1cc(C(=O)N(C)C2CN(CC(=O)NCC#N)C2)n[nH]1 1754568835 IXTLWOWSUOEGMZ-UHFFFAOYSA-N 304.354 -0.632 30 20 DBED C#CCCCC(=O)N[C@]1(CO)CCCN(CC(=O)NCC#N)C1 1754854653 XIHWNFOYSSXFGY-MRXNPFEDSA-N 320.393 -0.627 30 20 DBED COCC#CCN1CC2(C[C@H](NC(=O)CCCC(N)=O)CO2)C1 1755068238 XAPAZUBQRCKAJG-ZDUSSCGKSA-N 323.393 -0.749 30 20 DBED Cc1ccn(CC(=O)NC2(CNCC#N)CCOCC2)c(=O)c1 1755098849 HMJXSWUUEURFKA-UHFFFAOYSA-N 318.377 -0.065 30 20 DBED C=CCOCCN[C@@H](C)[C@@H](C)NC(=O)C1CC(=O)NC(=O)C1 1755257735 UUNOXXGVBILRTR-WDEREUQCSA-N 311.382 -0.275 30 20 DBED C=CCNC(=O)CN[C@H](C)[C@@H](C)NC(=O)C(=O)NCC1CC1 1755260044 LOBMZWKSUIVMRP-GHMZBOCLSA-N 310.398 -0.702 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](C)N(C)CC(=O)NCC#N 1755315942 AGZFHBMGHDPOIA-XQQFMLRXSA-N 308.382 -0.346 30 20 DBED C#CCN1C[C@H](NC(=O)CN(C)S(C)(=O)=O)C(C)(C)C1 1755411509 DKEDQKHZYNPQOR-NSHDSACASA-N 301.412 -0.662 30 20 DBED C=CCNC(=O)CNC[C@H](O)CN(C)C(=O)c1n[nH]c(C)c1C 1755774960 NUCRHDJANVGSGU-LBPRGKRZSA-N 323.397 -0.649 30 20 DBED C=C1CC(C)(C(=O)N[C@H](CO)CNC(=O)c2cn(C)cn2)C1 1756514001 QPGAFAYUXDLJSE-NSHDSACASA-N 306.366 -0.017 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H](CO)NC(=O)c1c[nH]c(C#N)c1 1756521606 TWVRYCPJBCATKZ-ZWNOBZJWSA-N 318.333 -0.868 30 20 DBED C#CCCCC(=O)N1CCC[C@H](NC(=O)Cn2cnnn2)[C@@H]1C 1756618910 ROFYGVJAAXUMAM-STQMWFEESA-N 318.381 -0.028 30 20 DBED C=CCOCC(=O)N(C)C[C@@H](O)CNC(=O)c1ccncn1 1756654819 AGJRPXUBCBLUNF-NSHDSACASA-N 308.338 -0.772 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(C(=O)CCCOC)C[C@@H]1O 1757168902 HVLVMWKSMNOIJZ-XUJVJEKNSA-N 314.382 -0.572 30 20 DBED N#CCSc1ccccc1C(=O)NS(=O)(=O)CC(N)=O 1771656325 WBQXOLDGIWYZOT-UHFFFAOYSA-N 313.360 -0.153 30 20 DBED C=CCC(=O)N1CC[C@@]2(C1)CN(C(=O)Cn1cnnn1)CCO2 1783914538 VYLQUPKCQYXUHA-CQSZACIVSA-N 320.353 -0.921 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@]1(C)CCCN1)C2 1800453291 CXYQJKWEWADILB-FAXLKDOZSA-N 305.378 -0.649 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CC[C@H](O)CC1)C2 1800454939 SBBIPJAZZKWGCN-IQHMXFAQSA-N 320.389 -0.240 30 20 DBED CCN(CCC#N)C(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1 87391786 QCQMAJUXCCFHRF-JTQLQIEISA-N 313.383 -0.151 30 20 DBED N#Cc1ccc(NCC(=O)N2CCN(C(=O)CO)CC2)cc1 129435974 OUJVSASFRSZWMB-UHFFFAOYSA-N 302.334 -0.367 30 20 DBED N#Cc1cccc(S(=O)(=O)NC[C@H]2CN3CCN2CC3)c1 179058015 YLRRBRFFQCHSFL-ZDUSSCGKSA-N 306.391 -0.164 30 20 DBED C#CCSCCNC(=O)NCCS(=O)(=O)NC(C)C 265735411 CHMQWUKTFXBMMB-UHFFFAOYSA-N 307.441 -0.020 30 20 DBED C[C@]1(C2CC2)NC(=O)N(CC(=O)N2CCOC[C@H]2C#N)C1=O 266230167 SVZLWMASYZGVHV-QMTHXVAHSA-N 306.322 -0.542 30 20 DBED C[C@@H]1CN(CC(=O)NCc2ccc(C#N)cc2)C[C@@H](C(N)=O)O1 268481571 SHFWUIDDOTZYDJ-RISCZKNCSA-N 316.361 -0.251 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)Nc2nncn2C2CC2)C1=O 285711518 HXGOTJHASLHVSP-UHFFFAOYSA-N 318.293 -0.472 30 20 DBED N#Cc1cncc(S(=O)(=O)NC[C@@H]2CN3CCN2CC3)c1 289567052 VLMHGPVBZQNTTQ-GFCCVEGCSA-N 307.379 -0.769 30 20 DBED Cc1cc(S(=O)(=O)N2CCC(O)(C(N)=O)CC2)ccc1C#N 320207599 FJGJKVCKJOARPD-UHFFFAOYSA-N 323.374 -0.132 30 20 DBED C[C@H](C/N=C(/O)NC[C@]1(O)CCOC1)CN1CCOCC1 328725195 BFSGFRIATIVCEQ-TZMCWYRMSA-N 301.387 -0.390 30 20 DBED C[C@H]1CS(=O)(=O)C[C@H]1/N=C(/O)[C@H]1CN2CCCN1CC2 329584782 QYMDNUYVKQDUCU-QJPTWQEYSA-N 301.412 -0.234 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)NCCN1C(=O)CCC1=O 330372777 ASWPWLUCWNTJQE-SECBINFHSA-N 302.356 -0.939 30 20 DBED CC(C)(C)n1ncnc1CN/C(O)=N/CCNS(C)(=O)=O 330378605 GGZXHMMYWGBKOW-UHFFFAOYSA-N 318.403 -0.414 30 20 DBED N#Cc1ccccc1OCC(=O)N1CCN(C(=O)CO)CC1 330499738 KSFMIZRRJGSWJZ-UHFFFAOYSA-N 303.318 -0.400 30 20 DBED CCN(CC)C(=O)[C@@H]1CSCN1C(=O)CN/C(O)=N/C 330500845 RKGIFXIHLRVSEU-VIFPVBQESA-N 302.400 -0.110 30 20 DBED Cc1c([C@@H](C)NS(=O)(=O)N2CCO[C@H](C#N)C2)cnn1C 336903148 CQKAVPRTTVTQQG-MWLCHTKSSA-N 313.383 -0.152 30 20 DBED COCCN(CCC#N)S(=O)(=O)NCCc1cnccn1 336932597 COALODFKOBHITP-UHFFFAOYSA-N 313.383 -0.284 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N[C@H]1CCCC[C@H]1C(N)=O 336936460 GCPAJRIJYFHNJF-MXWKQRLJSA-N 302.400 -0.044 30 20 DBED C=CC[C@@H](CO)CNC(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 341839548 AOBYBFOHHXCUIR-NWDGAFQWSA-N 319.427 -0.248 30 20 DBED COC(=O)CN(CC#N)C(=O)c1cccc(-n2cnnn2)c1 348795218 CMFSDDTXNAXRNH-UHFFFAOYSA-N 300.278 -0.199 30 20 DBED C=CCOC[C@H](NC(=O)C(=O)c1cnn(CC)c1)C(=O)OC 360727191 UYTWSIBSJRVMIU-NSHDSACASA-N 309.322 -0.054 30 20 DBED Cn1c(=O)c2ccn(CC(=O)NCCCCC#N)c2n(C)c1=O 362603406 UADNRZOHKVVREA-UHFFFAOYSA-N 317.349 -0.151 30 20 DBED C=CCn1cc(CNC(=O)NCCN2CCOC[C@@H]2C)nn1 425470982 USMMNTZELOBMBA-LBPRGKRZSA-N 308.386 -0.016 30 20 DBED CCCN(CCS(=O)(=O)c1ccc(C#N)cn1)CC(N)=O 429165496 FXIJFWUJBOPANG-UHFFFAOYSA-N 310.379 -0.076 30 20 DBED CC#CCCNC(=O)C(=O)Nc1ccc(S(C)(=O)=O)nc1 440728739 MOCCSMJEDMJKKM-UHFFFAOYSA-N 309.347 -0.047 30 20 DBED C#CCNS(=O)(=O)c1ccc(C(=O)OCCC(=O)NC)cc1 490739232 CAPVTNKPJZFCEZ-UHFFFAOYSA-N 324.358 -0.109 30 20 DBED C#CCNC(=O)C1CCN(CCCS(=O)(=O)N(C)C)CC1 491068757 QRWRSTXZXRKONY-UHFFFAOYSA-N 315.439 -0.271 30 20 DBED C#C[C@H](CC)NC(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 491228997 DUXHKCHTHCADNK-GHMZBOCLSA-N 315.395 -0.609 30 20 DBED C#CCNC(=O)CN1CCN(C[C@H](O)CCOC(C)C)CC1 491740362 JVGWNHHDFNQVEP-OAHLLOKOSA-N 311.426 -0.471 30 20 DBED C#C[C@@H](CCC)NC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 491753939 QPCWYSAWXGEVDD-LBPRGKRZSA-N 320.393 -0.079 30 20 DBED COC[C@](C)(O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 530782908 HKXNIRMWFDKRBD-HNNXBMFYSA-N 304.350 -0.001 30 20 DBED CN(CCC#N)S(=O)(=O)N[C@H](C(=O)O)c1ccnn1C 569095636 UMQZXWCOKQBHHP-VIFPVBQESA-N 301.328 -0.774 30 20 DBED CC(C)NS(=O)(=O)N1CCN(c2ccc(C#N)nn2)CC1 585702011 GZUYQIQPEPFNCD-UHFFFAOYSA-N 310.383 -0.287 30 20 DBED CC(C)OC[C@H]1C(=O)N(CCn2cnc(C#N)n2)C(=O)N1C 586869285 WIPRPWUWPLIIQU-JTQLQIEISA-N 306.326 -0.163 30 20 DBED CC(C)[C@H]1CN(C(=O)C(=O)NC2CCN(CC#N)CC2)CCO1 588125050 VADZJJZUVFGNRW-CQSZACIVSA-N 322.409 -0.026 30 20 DBED CC(=O)NCCNc1cc(C)nc(NCCNC(C)=O)c1C#N 590568363 DQOFCTPXBIKEGK-UHFFFAOYSA-N 318.381 0.358 30 20 DBED C=CCN([C@@H](C)COC)S(=O)(=O)N1CCO[C@@H](C#N)C1 594807104 FPKGAHQALIHZLX-RYUDHWBXSA-N 303.384 -0.022 30 20 DBED N#Cc1ccc(N2CC[C@@H](C(=O)NC[C@@H](O)C(N)=O)C2)c(F)c1 597587248 WQQSCIGDIIBRRQ-ZWNOBZJWSA-N 320.324 -0.514 30 20 DBED N#Cc1cccc(CNC(=O)C(=O)NC[C@H]2COCCN2)c1 599943706 JPWHFCPSDBVDMB-ZDUSSCGKSA-N 302.334 -0.721 30 20 DBED C[C@@H]1CCN(C(=O)C(=O)N2CCN(CCC#N)CC2)[C@@H]1CO 601461328 AZPWEWADDUMBAC-CHWSQXEVSA-N 308.382 -0.726 30 20 DBED C=CCC[C@@H](CO)NC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1 616101957 ULHKSAHJPWVXLO-MNOVXSKESA-N 305.400 -0.655 30 20 DBED CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)N1CCO[C@@H](C#N)C1 619582294 BOTQPIHJVBKUEU-WDEREUQCSA-N 310.354 -0.856 30 20 DBED C=C(CNC(=O)c1ccn(C)n1)CNC(=O)c1ccn(C)n1 620748213 NDHBUMFFMGBXKX-UHFFFAOYSA-N 302.338 -0.130 30 20 DBED CC(=NNC(=S)NCCN1CCOCC1)c1cnccn1 734745030 NDIKFFGNSGHYNR-UHFFFAOYSA-N 308.411 -0.003 30 20 DBED C=CCn1nnn(CN(CC(=O)O)CC(=O)OC)c1=S 736117403 JAPWOCFDSBOWBM-UHFFFAOYSA-N 301.328 -0.488 30 20 DBED C#CCN1CCN(C(=O)CN[C@@H](CC(=O)OC)C2CC2)CC1 754512358 GFLIFNAHSKGNGQ-AWEZNQCLSA-N 307.394 -0.305 30 20 DBED C#C[C@H](NC(=O)Nc1ncn(CC(=O)N(C)C)n1)[C@H]1CCCO1 775643845 YEQLQSVACMXFGR-WDEREUQCSA-N 320.353 -0.331 30 20 DBED C=CCNC(=O)c1ccccc1NC(=O)CN1CCNC(=O)C1 777850480 IXWIFBDUPZQABS-UHFFFAOYSA-N 316.361 -0.027 30 20 DBED Cn1cnn(CC(=O)[C@@H](C#N)C(=O)Nc2ccccn2)c1=O 779456243 GPXLNTHXDNWHRE-SECBINFHSA-N 300.278 -0.676 30 20 DBED C#CCOCCC(=O)O[C@@H](C)C(=O)N[C@H]1CCS(=O)(=O)C1 784365999 KBCJYHVJFNNJII-QWRGUYRKSA-N 317.363 -0.739 30 20 DBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(=O)O 818058880 CBBKOPNVJOEALY-MRVPVSSYSA-N 312.303 -0.147 30 20 DBED CN(CC(F)(F)F)C(=O)Cn1cnc(-c2nn[nH]n2)c1C#N 825902382 SMHHNYBIYGOORF-UHFFFAOYSA-N 314.231 -0.044 30 20 DBED N#Cc1c(-c2nn[nH]n2)ncn1CCn1cc([N+](=O)[O-])cn1 826383371 XVHWYHWBHBAQBX-UHFFFAOYSA-N 300.242 -0.260 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)C2(OC)CCC2)CC1 831568520 JITWJWXOGKOIFM-UHFFFAOYSA-N 315.395 -0.833 30 20 DBED CC1=NO[C@@H](C(=O)NCC#CCNC(=O)[C@H]2CC(C)=NO2)C1 831957417 SFAXTBRABLUXAI-VXGBXAGGSA-N 306.322 -0.448 30 20 DBED C#CCN1CCC(C(=O)N2CC(n3cc(C(=O)O)nn3)C2)CC1 833364154 FRQOEULBPXGXCL-UHFFFAOYSA-N 317.349 -0.295 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1CCC([C@H](O)C(=O)O)CC1 833376546 GOSBYFUXGJRMHN-ONGXEEELSA-N 313.354 -0.456 30 20 DBED CC(C)(C#N)CS(=O)(=O)NC(=O)c1ccn2nnnc2c1 850930273 SZISRNAEDLKUJI-UHFFFAOYSA-N 308.323 -0.266 30 20 DBED C#C[C@@H](CC)NC(=O)N1CCC(NS(=O)(=O)NC)CC1 854078150 ICWJMRKQSKGCBT-JTQLQIEISA-N 302.400 -0.374 30 20 DBED C#CC1(O)CN([C@H](C)C(=O)N(CC)[C@H]2CCS(=O)(=O)C2)C1 934441796 USLYEYLZLAAMLF-NEPJUHHUSA-N 314.407 -0.910 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@H](NC(=O)CN2CC(=O)NC2=O)C1 938444437 VRCYPAAMGVAWLJ-JTQLQIEISA-N 322.365 -0.533 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@@H](NC(=O)CN2CCNC(=O)C2)C1 941996237 SDLLDGQRPBIKPL-GFCCVEGCSA-N 322.409 -0.653 30 20 DBED C#CCOc1ccc(C(=O)NC[C@H]2CCN2C(=O)C(N)=O)cc1 950049439 YYFTYBYTXPTLNC-GFCCVEGCSA-N 315.329 -0.485 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CCCN(C(=O)CC(N)=O)C2)c[nH]1 950253135 FUVXKCFBMSHABP-SNVBAGLBSA-N 303.322 -0.517 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]1CNC(=O)c1nnn(C(C)(C)C)n1 950358387 FHAXVEQRJLKOSJ-ZJUUUORDSA-N 319.369 -0.082 30 20 DBED C#Cc1cncc(C(=O)N(C)C2CN(C(=O)c3cnn[nH]3)C2)c1 955262927 NUHTWVVWWXBQRZ-UHFFFAOYSA-N 310.317 -0.222 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](CNC(=O)c2ccn(C)c(=O)c2)C1 958184144 WGDXUXCOZCNHIT-KGLIPLIRSA-N 305.378 -0.016 30 20 DBED C#CCCN1C[C@@H](O)[C@@H](CNC(=O)c2nc[nH]c3nccc2-3)C1 958219570 KNHKADPZCHOLNI-WCQYABFASA-N 313.361 -0.045 30 20 DBED C#CCCN1C[C@H](CNC(=O)c2cc3n(n2)CCCO3)[C@@H](O)C1 958255139 VGIBAWCROHQWCW-JSGCOSHPSA-N 318.377 -0.289 30 20 DBED C#CCCN1C[C@@H](O)[C@@H](CNC(=O)c2cc(=O)c(OC)c[nH]2)C1 958264924 ZJFOHJWDUGKTPU-SMDDNHRTSA-N 319.361 -0.571 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cc(F)c[nH]2)C1 958893273 OPOBBMPBFLARBS-ZHAHWJHGSA-N 308.313 -0.043 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CN(C(=O)[C@@H]3CN(C)CCO3)C[C@H]2C1 961243434 CEWNHOWPWFIOMP-FQUUOJAGSA-N 320.393 -0.607 30 20 DBED C=C(C)CN1C[C@@H]2C(NC(=O)c3cnc(O)n(C)c3=O)[C@H]2C1 961462243 TXDZDEBBUHGLBL-QWRGUYRKSA-N 304.350 -0.278 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1[C@H]2CN(Cc3cnn(C)n3)C[C@H]12 961815012 MKTRQTPCNUEWOR-RFGFWPKPSA-N 317.393 -0.047 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1[C@@H]2CN(Cc3ncnn3C)C[C@@H]12 961815910 OUVUYWRXUOVMTE-LPWJVIDDSA-N 317.393 -0.047 30 20 DBED C=CCN1CC[C@@H](NCC2CC(NC(=O)c3cnn[nH]3)C2)C1=O 962027388 WNCWXMKAKMTUBL-HTAVTVPLSA-N 318.381 -0.310 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CN(C(=O)CC3(O)CCC3)CCO2)C1 965372599 STKXVEZERWBRMX-LBPRGKRZSA-N 321.377 -0.109 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1NC(=O)Cn1nccn1 966414691 SBOBCAQNICTFNR-YPMHNXCESA-N 301.350 -0.345 30 20 DBED CC#CCN1CC[C@@H](C)[C@@H](NC(=O)Cn2ncn(C)c2=O)C1 967029156 FUABWTGWKLQIAC-OLZOCXBDSA-N 305.382 -0.568 30 20 DBED C#CCN[C@@H]1CCN(C(=O)c2ccccc2OCC(N)=O)C1 969262250 UTIPQAAIKYPXMC-GFCCVEGCSA-N 301.346 -0.012 30 20 DBED C=C(Cl)CN(C)[C@@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 971704569 TWEPLOKPBIEAPM-ZJUUUORDSA-N 314.773 -0.130 30 20 DBED C#CCCN1CCO[C@@]2(CCN(C(=O)[C@H]3CCNC(=O)C3)C2)C1 972340637 ZJUPXWKURCXUSJ-YOEHRIQHSA-N 319.405 -0.161 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)[C@@H]3CCN(C(C)=O)C3)C2)C1 972655797 PFZFEYJOJSVOPV-NVXWUHKLSA-N 319.405 -0.209 30 20 DBED C=CCn1cc(C(=O)N(C)C[C@H]2CCN2C(=O)COC)nn1 977735345 XOQABBVXGSNUCJ-LLVKDONJSA-N 307.354 -0.217 30 20 DBED COc1c[nH]c(C(=O)NCC2[C@@H]3CN(CC#N)C[C@@H]23)cc1=O 978468834 LFNSXASCWJAAQX-QWRGUYRKSA-N 302.334 -0.185 30 20 DBED C#CCCN1C[C@H]2[C@H](CNC(=O)[C@@H]3COCCN3C(C)=O)[C@H]2C1 979087701 GRTVDZKZKFYCNZ-JONQDZQNSA-N 319.405 -0.449 30 20 DBED N#CCN1CCCN(C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)CC1 981154287 OOLYAJZBHKSANB-GFCCVEGCSA-N 316.365 -0.180 30 20 DBED C=CCN[C@@H]1C[C@H](C)N(C(=O)CCc2nnc(O)nc2O)C1 989089674 XVSRSABGTQBSPS-VHSXEESVSA-N 307.354 -0.020 30 20 DBED C#CCCN1CCC[C@@H](NC(=O)CN2C(=O)CNC2=O)[C@@H]1C 994359644 BCBSDHPGUJTVEF-NWDGAFQWSA-N 306.366 -0.469 30 20 DBED C[C@H](C#N)C(=O)N1CC(NC(=O)c2cnn3c2OCCC3)C1 996365468 HZYLMQUOKGIYBS-SECBINFHSA-N 303.322 -0.234 30 20 DBED C#Cc1ccc(C(=O)N2C[C@H](NCC(N)=O)C(C)(C)C2)nc1 996530040 ZDUCDPFUBKQAHW-ZDUSSCGKSA-N 300.362 -0.012 30 20 DBED C=C1CCC(C(=O)N2CC(NC(=O)c3nnn(C)n3)C2)CC1 997871246 XIPSVHAHTCNJQM-UHFFFAOYSA-N 304.354 -0.103 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)c2nc[nH]n2)C1 1006629238 VAMTYQJKWKCIJL-WCQGTBRESA-N 319.365 -0.028 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2CN(C(=O)C(N)=O)CC2(C)C)cn1 1008391050 IAWCFLOYMDUKMM-LBPRGKRZSA-N 314.345 -0.485 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](NC(=O)Cn2cncn2)C(C)(C)C1 1008613683 FJABMWOTTALRCY-WDEREUQCSA-N 304.354 -0.209 30 20 DBED C[C@H](NC(=O)c1cnn[nH]1)[C@@H]1CN(C(=O)C#CC2CC2)CCO1 1009692542 YQHYMNJYNREQEJ-GWCFXTLKSA-N 317.349 -0.436 30 20 DBED C[C@H]1C[C@@H](CNC(=O)c2cc(C#N)c[nH]2)CN1C(=O)CC(N)=O 1010079722 NMYMANTZOYXKEC-ONGXEEELSA-N 317.349 -0.271 30 20 DBED N#Cc1cc(C(=O)N2CC3(CCCN(C(=O)C(N)=O)C3)C2)c[nH]1 1010626179 WAEJWLAUVGUKMF-UHFFFAOYSA-N 315.333 -0.564 30 20 DBED N#Cc1ccc(C(=O)NC2CC3(CC(NC(=O)C(N)=O)C3)C2)[nH]1 1013991954 OFTNSTABEMBWHN-UHFFFAOYSA-N 315.333 -0.471 30 20 DBED C[C@H]1[C@H](NC(=O)c2cc(C#N)c[nH]2)CCCN1C(=O)C(N)=O 1014850120 DXTTZUITZVZKGD-WCBMZHEXSA-N 303.322 -0.519 30 20 DBED C=CCN1CC[C@@H](N2CC[C@H](NC(=O)Cn3ccnc3)C2)C1=O 1016396927 GNQVRKMXNHCRPQ-UONOGXRCSA-N 317.393 -0.140 30 20 DBED C[C@@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(CC(=O)N1CCOCC1)C2 1017423181 RFVPPFAAGHBLRQ-IHRRRGAJSA-N 320.393 -0.320 30 20 DBED COCC(=O)N1CCCO[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1 1019568443 FSKGTJVIVONBTM-GFCCVEGCSA-N 320.349 -0.120 30 20 DBED C[C@H]1CN(C(=O)C(N)=O)CC[C@@H]1CNC(=O)c1c[nH]c(C#N)c1 1020798202 IPIZLYKPNSZJSX-VHSXEESVSA-N 317.349 -0.414 30 20 DBED CS(=O)(=O)CC(=O)N1CC[C@H]2CN(C(=O)C#CC3CC3)C[C@H]21 1021186287 XOUUGNROTRGACN-QWHCGFSZSA-N 324.402 -0.496 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CC3(F)F)C[C@H]2O)[nH]1 1023429426 SPLXQHORCAZCNE-JMJZKYOTSA-N 324.287 -0.157 30 20 DBED C=C1CC(C)(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ncn(C)n3)C2)C1 1023598570 JBWPMZRIGZIKKH-GHMZBOCLSA-N 319.365 -0.527 30 20 DBED CC#CCN1CCCC[C@H]1CNC(=O)[C@@H]1CC(=O)NC(=O)N1 1024685767 MWJJUUNINJDSEG-RYUDHWBXSA-N 306.366 -0.422 30 20 DBED C=C(C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 1025690863 NNKLUHXJVZIUDQ-WRWGMCAJSA-N 323.393 -0.602 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2C[C@@H](NC(=O)C(N)=O)C23CCC3)c1 1025898333 HHKGABDRKQOHQV-GHMZBOCLSA-N 315.333 -0.471 30 20 DBED Cn1cnc(C(=O)N2C[C@@H]3CC[C@@H](NCC#N)[C@H]3C2)cc1=O 1026287252 QMKDKJTUQSFWJR-SDDRHHMPSA-N 301.350 -0.256 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2CCN1C(=O)CNC1=O 1029244771 LLTSNEOFXJYEJP-UTUOFQBUSA-N 319.365 -0.627 30 20 DBED C=CCN1CC[C@@H](N(C)C[C@H]2CCN(C(=O)CC(N)=O)C2)C1=O 1029682687 YIVLVNXMNJGMPM-CHWSQXEVSA-N 322.409 -0.571 30 20 DBED C#CCN1CCC(C(=O)N2C[C@@H]3C[C@H]2CN3[C@@H](C)C(N)=O)CC1 1032800541 MJWYTBFTOMRWTF-QEJZJMRPSA-N 318.421 -0.510 30 20 DBED C=C(C)CCN1CCO[C@H](CNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 1035534746 MACONUQRECXEPO-NEPJUHHUSA-N 324.381 -0.632 30 20 DBED C#CCN1CC2(CCN(C(=O)[C@H]3CCS(=O)(=O)C3)CC2)C1 1035746406 YMSYBIXXJVWTMK-ZDUSSCGKSA-N 310.419 -0.021 30 20 DBED C=CCN1CC2(CCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)CC2)C1 1035807924 OAKGZYBRDXWTNS-NSHDSACASA-N 306.366 -0.305 30 20 DBED N#CCN1CC2(CCN(C(=O)CN3CCC(=O)NC3=O)CC2)C1 1035831830 REXFCJJTHDCUFA-UHFFFAOYSA-N 319.365 -0.624 30 20 DBED CC#CCN1CC2(CCN(C(=O)Cn3c(O)nnc3O)CC2)C1 1035843960 ISARIZVDDLBISR-UHFFFAOYSA-N 319.365 -0.363 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)CC[C@H]1NCc1nc(=O)n(C)[nH]1 1036031066 UYHYXTKMXUCJRI-DGCLKSJQSA-N 317.393 -0.152 30 20 DBED C=CCN1CC[C@@H](N2CC[C@@H]2CNC(=O)c2[nH]nnc2C)C1=O 1038580833 CARHHMKLPSNGIH-VXGBXAGGSA-N 318.381 -0.296 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2CCN2[C@@H](C)C(=O)N(C)C)nn1 1038789052 DXBAOTWJZSGHFO-RYUDHWBXSA-N 320.397 -0.255 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@]1(O)CCN(C(=O)C#CC(C)C)C1 1039721369 KJSPKLWCPFJZLF-RHSMWYFYSA-N 320.389 -0.236 30 20 DBED C=CCCC(=O)N1CC[C@@](O)(CNC(=O)[C@H]2CCC(=O)NC2)C1 1040255374 IUISKUIRNSSUFU-BLLLJJGKSA-N 323.393 -0.442 30 20 DBED C#CCCCC(=O)N1CC[C@@](O)(CNC(=O)[C@H](C)CC(N)=O)C1 1040474639 BBEYYOGBEUMHFF-MLGOLLRUSA-N 323.393 -0.619 30 20 DBED Cc1cc(C(=O)N[C@@H]2CN(c3nccnc3C#N)C[C@H]2O)n[nH]1 1040949232 IZRKRUKXSJKXEG-VXGBXAGGSA-N 313.321 -0.641 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)Cc2ccon2)C1 1042220226 MVCKWZJRFVBNQD-NSHDSACASA-N 323.349 -0.502 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)Cc2ccon2)C1 1042802251 HOMJHEFTVQGDPG-UHFFFAOYSA-N 305.334 -0.290 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)C1CN([C@@H]2CCCNC2=O)C1 1042960529 PTERCAXJMFPQJW-CABCVRRESA-N 318.421 -0.495 30 20 DBED CC(C)(C)C#CC(=O)N1CC(O)(CNC(=O)CCCC(N)=O)C1 1043702490 UUKAWEZPQYLUHT-UHFFFAOYSA-N 323.393 -0.619 30 20 DBED C[C@H]1C[C@H](NCC#N)CCN1C(=O)Cn1ccc(=O)n(C)c1=O 1044626744 SXHVQRAROMWYDU-NWDGAFQWSA-N 319.365 -0.960 30 20 DBED C=CCN1CC[C@@H](N2CCN(C(=O)c3ncn(C)n3)CC2)C1 1046025826 LLKKDCOCBKDXAP-CYBMUJFWSA-N 304.398 -0.167 30 20 DBED C#CCN1CC[C@H](N2CCN(C(=O)c3cn(CC)nn3)CC2)C1 1046074716 FJSZRMMAYWGHLS-AWEZNQCLSA-N 316.409 -0.237 30 20 DBED C=C1CC(C)(C(=O)NCC2(O)CN(C(=O)[C@@H]3CCN(C)C3)C2)C1 1046311698 KHSUYTNVYDZJRV-CYBMUJFWSA-N 321.421 -0.016 30 20 DBED C=CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2cn(C)c(=O)cn2)C1 1047462503 GGBAHGHUTFENCB-STQMWFEESA-N 306.366 -0.527 30 20 DBED CCO[C@@H]1CN(C(=O)C(N)=O)C[C@H]1CNc1cncc(C#N)n1 1047925953 UJDCDLJHMOIGMH-MWLCHTKSSA-N 318.337 -0.891 30 20 DBED C=C(C)CCC(=O)N(C)[C@H]1CN(C(=O)[C@H]2CNC(=O)N2)C[C@@H]1O 1048941663 YVBOXWSUYPCYCD-WOPDTQHZSA-N 324.381 -0.946 30 20 DBED C=CCN1C[C@H]2CN(C(=O)CN3CCC(=O)NC3=O)C[C@H]2C1 1049154746 NWPNDGWYAFZRMC-TXEJJXNPSA-N 306.366 -0.496 30 20 DBED CC(=O)Nc1ccc(C(=O)NC[C@H]2COCCN2CC#N)nc1 1050947119 PEHUTKAPQDNCOI-ZDUSSCGKSA-N 317.349 -0.006 30 20 DBED N#CCN1CCOC[C@H]1CNC(=O)c1cnc2[nH]c(O)nc2c1 1050990776 MTZOEMWJSICTOF-SNVBAGLBSA-N 316.321 -0.382 30 20 DBED C=CCCN1CCOC[C@@H]1CNC(=O)c1cn(C)c(=O)nc1O 1051244799 XBFUTPIOKGLFBZ-NSHDSACASA-N 322.365 -0.507 30 20 DBED CC#CCN1CCN([C@H]2CCN(C(=O)Cn3cncn3)C2)CC1 1052115449 WFBDGMFZWKPKJI-HNNXBMFYSA-N 316.409 -0.480 30 20 DBED C=CCN1CCC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)CC1 1052393157 FCMNPFZOAVLURV-NSHDSACASA-N 306.370 -0.466 30 20 DBED C#CCN1CC2(C1)CN(C(=O)c1cc(OCC)n[nH]1)CCO2 1053303517 VNICBVWEYBTLBO-UHFFFAOYSA-N 304.350 -0.032 30 20 DBED C=C(Cl)CN1CC2(C1)CN(C(=O)[C@@H]1CCC(=O)N1)CCO2 1053513242 VSECZXHQHVSSCT-NSHDSACASA-N 313.785 -0.069 30 20 DBED C[C@@H](O)CN1CC2(C[C@H](NC(=O)c3cc(C#N)c[nH]3)CO2)C1 1053765913 AHXGAGDOWYWSST-PWSUYJOCSA-N 304.350 -0.160 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)C[C@@H]3CCN(C)C3=O)CO2)C1 1053841914 WGAKUJXEOUVFEK-KBPBESRZSA-N 319.405 -0.162 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)[C@@H]3CCc4nc[nH]c4C3)CO2)C1 1053976242 CZBJQKIRFBAXPZ-NEPJUHHUSA-N 315.377 -0.002 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@]1(CO)CCCN(C(=O)C(F)F)C1 1055947178 KYEWZEKOBXQTRN-HZMBPMFUSA-N 318.320 -0.241 30 20 DBED N#Cc1nccnc1N1CCN(C(=O)[C@@H]2CCNC2=O)CC1 1055973850 IFKCQPNHUBYVJT-SNVBAGLBSA-N 300.322 -0.867 30 20 DBED N#Cc1nccnc1N1CCN(C(=O)[C@@H]2CC[C@H]2C(N)=O)CC1 1055974155 YAYAOAZLFCLYDC-GHMZBOCLSA-N 314.349 -0.492 30 20 DBED N#Cc1nccc(N2C[C@H]3[C@H](NC(=O)[C@@H]4COC(=O)N4)[C@H]3C2)n1 1056194358 LSKPYJKQOLGLJP-KIKITERTSA-N 314.305 -0.993 30 20 DBED Cn1ncc(C(=O)NC2[C@H]3CN(c4ccnc(C#N)n4)C[C@H]23)n1 1056256742 NMTYCTKXSFVFPT-IUCAKERBSA-N 310.321 -0.659 30 20 DBED CNC(=O)CC(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@@H](C)C#N 1056363147 IHZVGKSYWXFGTH-TUAOUCFPSA-N 306.366 -0.126 30 20 DBED C#CCOCCC(=O)N1C[C@@H]2CCCN(C(=O)CC(N)=O)[C@@H]2C1 1056636036 TURIZKOOEBSQOJ-QWHCGFSZSA-N 321.377 -0.649 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@H]2CN(C(=O)CC)C[C@H]21 1056645554 BWRBSWXYGAYLCV-QWHCGFSZSA-N 305.378 -0.015 30 20 DBED CCc1cc(C(=O)N(CCO)CCNC(=O)C#CC2CC2)n[nH]1 1057039174 GYPKUXOVVVFKFX-UHFFFAOYSA-N 318.377 -0.064 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)C[C@H]1CCNC1=O 1057170843 DAEZMQLZBFAJJW-GFCCVEGCSA-N 311.382 -0.584 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)[C@H]1C[C@H](C)CO1 1057193756 OZPQARPNQJDZKS-QWHCGFSZSA-N 314.382 -0.449 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)[C@@H]1C[C@H](C)CO1 1057193758 OZPQARPNQJDZKS-STQMWFEESA-N 314.382 -0.449 30 20 DBED Nc1nccnc1C(=O)N(CCO)CCNC(=O)C#CC1CC1 1057235183 DZSWZULESLRWSA-UHFFFAOYSA-N 317.349 -0.977 30 20 DBED N#Cc1c[nH]c(C(=O)N(CCO)CCNC(=O)[C@@H]2CCOC2)c1 1057292008 ZKFVKLCCFZCHMT-GFCCVEGCSA-N 320.349 -0.526 30 20 DBED O=C(C#CC1CC1)N(CCO)CCNC(=O)[C@]1(F)CCOC1 1057538853 HTDFBYCBGYFDIH-HNNXBMFYSA-N 312.341 -0.535 30 20 DBED N#Cc1cncc(N[C@@H]2CCCN(C(=O)[C@@H]3CCNC3=O)C2)n1 1057724574 IJTFHHDVOSFXDC-ZYHUDNBSSA-N 314.349 -0.113 30 20 DBED CCn1nnc(C)c1C(=O)N(CCO)CCNC(=O)[C@H](C)C#N 1057827019 VURCMSLHTRPTPS-SNVBAGLBSA-N 322.369 -0.683 30 20 DBED N#Cc1cnc(N2CCC[C@@H](NC(=O)[C@H]3COCCO3)C2)cn1 1058120661 UBSMTKSHFHZTBK-DGCLKSJQSA-N 317.349 -0.151 30 20 DBED C=CCCC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1CCN(C)C1=O 1061402032 QOULHCOXJMPNAK-CHWSQXEVSA-N 323.393 -0.226 30 20 DBED CC(C)C#CC(=O)N1CCOC[C@@H]1CNC(=O)Cc1cc[nH]n1 1061457681 KCJYUHCEFKVQBT-AWEZNQCLSA-N 318.377 -0.045 30 20 DBED N#Cc1ccc(N2CC[C@H](CNC(=O)[C@@H]3COC(=O)N3)C2)nn1 1061591207 GJCGYFDCEXDSFG-KOLCDFICSA-N 316.321 -0.601 30 20 DBED Cc1ncc(C(=O)N2CCOC[C@@H]2CNC(=O)[C@@H](C)C#N)n1C 1061851338 NCIJBNPMOVXZMX-JQWIXIFHSA-N 319.365 -0.155 30 20 DBED O=C(C#CC1CC1)NC1(CNC(=O)Cn2cnnn2)CCC1 1062499307 DJXVSQLNGVCVJT-UHFFFAOYSA-N 302.338 -0.758 30 20 DBED C=CCn1cc(C(=O)NCC2(NC(=O)COC)CCC2)nn1 1063092120 XZCONPNUHGYUMX-UHFFFAOYSA-N 307.354 -0.121 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)C(=O)NCC2CC2)CCC1 1064237975 AYHFMAWZJSTALO-JTQLQIEISA-N 306.366 -0.173 30 20 DBED Cc1cc(=NC[C@@H]2CCCN2C(=O)CC(N)=O)c(C#N)c[nH]1 1064879809 CDKBXDUTBZAIAD-LBPRGKRZSA-N 301.350 -0.038 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)[C@H](C)OCC)CCO1 1064890386 AFYGGNMANHRSLA-STQMWFEESA-N 314.382 -0.042 30 20 DBED C=CCOCC(=O)N1CCO[C@H](CNC(=O)c2ncc[nH]2)C1 1064971274 XVXCIHGQMGGVAZ-LLVKDONJSA-N 308.338 -0.431 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CN(C(=O)c2nccnc2N)CCO1 1064994057 XLZWCGAGVNQADI-ZJUUUORDSA-N 318.337 -0.824 30 20 DBED CCN(CC)CC(=O)N1CCO[C@@H](CNC(=O)[C@H](C)C#N)C1 1065177064 CYATUHJEEPYYFX-OLZOCXBDSA-N 310.398 -0.169 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@H](CNC(=O)Cc2ncc[nH]2)C1 1065557635 SXFUIWKLERRUBO-GHMZBOCLSA-N 305.338 -0.545 30 20 DBED COC(=O)NCC(=O)N[C@@H]1CCCN(C(=O)[C@H](C)C#N)CC1 1065917860 IQIWMQRMMCNUBX-GHMZBOCLSA-N 310.354 -0.001 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H]1CCCN(C(=O)CNC(N)=O)CC1 1066166257 JRWPCIIHBGAFHY-RYUDHWBXSA-N 324.381 -0.810 30 20 DBED N#Cc1ccc(N2CCOC[C@@H]2CNC(=O)[C@@H]2CCOC2)nn1 1066469428 CKOPGQOZJLIQDZ-YPMHNXCESA-N 317.349 -0.294 30 20 DBED C=C[C@@](C)(O)CC(=O)N(C)CCCN(C)C(=O)Cn1cnnn1 1066783306 HJYTXMJJOHZMSH-CQSZACIVSA-N 324.385 -0.693 30 20 DBED N#Cc1cnc(NC[C@H]2C[C@H](NC(=O)[C@@H]3CCC(=O)N3)C2)cn1 1068507804 DTWQKPIYEMKIGE-NHCYSSNCSA-N 314.349 -0.066 30 20 DBED C=C[C@H](CC)CC(=O)N1CC2(C[C@H](NC(=O)CC(N)=O)CO2)C1 1068781358 ANPFVSPXLBLLKC-NEPJUHHUSA-N 323.393 -0.050 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)C[C@@H]2CCC(=O)N2)C1 1070050748 QHMRVKJPMVQRLH-XQQFMLRXSA-N 318.381 -0.526 30 20 DBED C=CCN[C@@H]1CN(C(=O)C23CCN(CC2)C3)C[C@@H]1n1ccnn1 1070311254 UWLCZHZUIGCYGC-KGLIPLIRSA-N 316.409 -0.099 30 20 DBED CC(C)C#CC(=O)N1CCC[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1 1070704299 MVVNLDJXUYZZDA-VXGBXAGGSA-N 306.366 -0.566 30 20 DBED C=CCOCC(=O)N[C@@H]1CCCN(C(=O)CCCC(N)=O)C1 1070935954 FTYXFZCQJDKPJP-GFCCVEGCSA-N 311.382 -0.048 30 20 DBED C=CCOCC(=O)N1C[C@H](C)[C@@H](NC(=O)Cn2cncn2)C1 1071812269 ROBMRUQEQMPKQX-RYUDHWBXSA-N 307.354 -0.556 30 20 DBED CC#CCN1C[C@H](NC(=O)CN2CCC(=O)NC2=O)CC[C@H]1C 1071972443 VTXYZUFIVSLEEB-CHWSQXEVSA-N 320.393 -0.079 30 20 DBED C=CCOCC(=O)N[C@H]1CN(C(=O)c2cnnc(O)c2)C[C@H]1C 1072305539 YSBPQAPEFOGTFG-PWSUYJOCSA-N 320.349 -0.039 30 20 DBED N#CCN1CCCO[C@@H](CNC(=O)c2cnc3n2CCOC3)C1 1073647318 IIYNPFMWYCSBQG-LBPRGKRZSA-N 319.365 -0.242 30 20 DBED Cc1nnc(CC(=O)N2CC[C@H]3OCCN(CC#N)[C@@H]3C2)o1 1074233842 XLZQVDLQWPFMQS-VXGBXAGGSA-N 305.338 -0.254 30 20 DBED Cn1cc(C(=O)N2CC[C@@H]3OCCN(CC#N)[C@H]3C2)ccc1=O 1074284305 NDIWDWUPOCJUKX-KBPBESRZSA-N 316.361 -0.176 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CCN(C(=O)[C@H]2CCCN2C)CC1 1074518899 WKKSVTPCULSFBO-QWHCGFSZSA-N 322.409 -0.290 30 20 DBED CC[C@H](C(=O)NCC1(O)CCN(C(=O)[C@@H](C)C#N)CC1)N(C)C 1074705627 VZOMTEKNNYJNLU-QWHCGFSZSA-N 324.425 -0.044 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)CN2CCCCCCC2=O)C1 1077093318 IDSRLXIBDZOZQP-CHWSQXEVSA-N 308.382 -0.536 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(C/C=C\Cl)C[C@H]1O 1077159332 ZTNFLQBHQASSJJ-DBBWJUADSA-N 311.813 -0.002 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)c2cnc3n2CCOC3)C1 1077169715 HTHKCSZQOJPTIM-DGCLKSJQSA-N 306.366 -0.236 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(N(CC)C(=O)[C@@H]2COC(=O)N2)C1 1079701748 MMXQOFXPGMDBHZ-PWSUYJOCSA-N 323.349 -0.808 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)c2cnc(O)n2C)C[C@H]1O 1081333281 QVPYFYVAMNMDRA-CMPLNLGQSA-N 322.365 -0.359 30 20 DBED C=CCCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)Cn2nccn2)C1 1081519648 JPNDUGLQVPCWDX-QWHCGFSZSA-N 321.381 -0.430 30 20 DBED CCN(C)CCC(=O)NC[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1081774582 QUKDJLJTBFNZCT-LSDHHAIUSA-N 321.421 -0.323 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@@H]1CN2CC3CC2(CO1)C3 1081959546 MMSZZABCAJDQCU-WBDXWENLSA-N 320.393 -0.811 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)c2cc(C(N)=O)cn2C)C1 1083609347 QTRCFIZVZSYQAQ-YPMHNXCESA-N 306.366 -0.525 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(Cc2cn(C)nn2)C[C@@H]1O 1083790138 QJUUOZMHYKOQJR-MQYQWHSLSA-N 321.381 -0.933 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCCN2CC(F)(F)F)C1 1084090082 IZNMXASALNJRTB-WOPDTQHZSA-N 319.327 -0.192 30 20 DBED CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N2C[C@H]3CCN(CC#N)C[C@H]32)O1 1084658292 GFINYVNIFUALCT-YIYPIFLZSA-N 320.393 -0.322 30 20 DBED CC(=O)N1CCOC[C@H]1C(=O)N1C[C@H]2CCN(CC#N)C[C@H]21 1084842211 GQIUWUVGDQBKDW-MCIONIFRSA-N 306.366 -0.710 30 20 DBED N#Cc1c(F)cccc1N1C[C@@H](O)[C@H](NC(=O)CNC(N)=O)C1 1090370377 ODPHBWOOULOBFR-ZYHUDNBSSA-N 321.312 -0.969 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CN(c2nccnc2F)C[C@H]1O 1090445405 IWJIPUNHXZZFPP-HBNTYKKESA-N 310.329 -0.128 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(c2nc(C)ns2)C[C@H]1O 1090488565 LTDYPYGPLITBMC-JMJZKYOTSA-N 310.379 -0.449 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2ccc(OC)nn2)[C@H](O)C1 1090703125 BHXCNBGGFVFRIE-DGCLKSJQSA-N 304.350 -0.327 30 20 DBED CNC(=O)c1ccc(C(=O)N[C@@H]2CCN(CC#N)C[C@H]2O)cn1 1090734887 RPKHYYINRQHKEP-DGCLKSJQSA-N 317.349 -0.870 30 20 DBED CCO[C@H](CC)C(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1091078454 SAJQUNWMBPLVSL-FRRDWIJNSA-N 319.365 -0.171 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(c2nccc(OC)n2)C[C@@H]1O 1091101614 JROGCMNBMACNRK-ZETOZRRWSA-N 322.365 -0.522 30 20 DBED C[C@H](NC(N)=O)C(=O)N[C@H]1CCN(c2ccc(C#N)nn2)[C@@H]1C 1091963191 OGJKAYZOCGMKFI-NGZCFLSTSA-N 317.353 -0.512 30 20 DBED C#CCNC(=O)CC(=O)N1CCN(c2ncncc2Cl)CC1 1093148498 LIFDYCCMTOBAEJ-UHFFFAOYSA-N 321.768 -0.082 30 20 DBED CC(=O)NCC(=O)NC1[C@@H]2CN(c3ccc(C#N)nn3)C[C@@H]12 1093215812 QMRNGQPPPSIKJN-GHMZBOCLSA-N 300.322 -0.965 30 20 DBED CCOCCO[C@H](C)C(=O)NCCN=c1cc[nH]c(C#N)n1 1093672595 WPCNEZRTSFWSLR-LLVKDONJSA-N 307.354 -0.260 30 20 DBED Cc1ccc(C#N)c(NCCNC(=O)[C@@H]2CC(=O)NC(=O)N2)n1 1094167809 FCQXNXRDVJSVGE-JTQLQIEISA-N 316.321 -0.612 30 20 DBED COCC(=O)N[C@@H](C)C(=O)NCCNc1ncccc1C#N 1094185232 LOEFXQQZWLDLCH-JTQLQIEISA-N 305.338 -0.368 30 20 DBED C=CCN1CCN(C(=O)c2ccnn2C)[C@@H]2CS(=O)(=O)C[C@@H]21 1094613741 WQBKFOKWSLBIOE-QWHCGFSZSA-N 324.406 -0.471 30 20 DBED Cc1ncncc1C(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1 1094703595 CKAOIBFEWVEGSV-LLVKDONJSA-N 314.349 -0.677 30 20 DBED CC#CCN1CC(N2C[C@H](NC(=O)[C@H]3CCCOC3)CC2=O)C1 1094711855 OUUVQGWDAQWQJC-UONOGXRCSA-N 319.405 -0.162 30 20 DBED N#CCN1CC(N2C[C@H](NC(=O)[C@H]3C[C@@H]3C(F)F)CC2=O)C1 1094729918 NQFWPMBARCJCOM-MIMYLULJSA-N 312.320 -0.188 30 20 DBED C#CCCN1CC(N2C[C@@H](NC(=O)c3ccn(C)n3)CC2=O)C1 1094814183 BAMJHWRLRWWJKP-LBPRGKRZSA-N 315.377 -0.542 30 20 DBED C#CCNC(=O)CC(=O)N1CCCN(c2ncccn2)CC1 1095177258 MSJWCEQIBVFYNX-UHFFFAOYSA-N 301.350 -0.345 30 20 DBED C[C@@H](CC(N)=O)C(=O)N1CCCN(c2cncc(C#N)n2)CC1 1095201808 BVVIDMOQKRKOAY-NSHDSACASA-N 316.365 -0.102 30 20 DBED N#Cc1cnc(NC2CCN(C(=O)CNC(N)=O)CC2)cn1 1095215016 NHFONOIUUHCVIE-UHFFFAOYSA-N 303.326 -0.581 30 20 DBED CS(=O)(=O)CC(=O)NC1CCN(c2ccc(C#N)nn2)CC1 1095405314 IMYHFSLNZGLAKK-UHFFFAOYSA-N 323.378 -0.522 30 20 DBED CCN(CCCNC(=O)CC(=O)NC)c1cncc(C#N)n1 1095863836 IEHVGHWQAMCQRY-UHFFFAOYSA-N 304.354 -0.183 30 20 DBED CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCN(c2cncc(C#N)n2)C1 1096317701 YEKQDVLPRWFOHA-GXSJLCMTSA-N 302.338 -0.432 30 20 DBED COCCOCC(=O)N[C@H]1CCN(c2nccnc2C#N)C1 1096340441 JLJURMBSGRTJKS-NSHDSACASA-N 305.338 -0.294 30 20 DBED N#Cc1ccc(N2CC[C@@H](NC(=O)CCCC(N)=O)C2)nn1 1096391282 FWINHDKXIWKLJX-LLVKDONJSA-N 302.338 -0.301 30 20 DBED CN(C)CCOCC(=O)N[C@H]1CCN(c2cncc(C#N)n2)C1 1096400137 IDEFXECNXBHHFD-LBPRGKRZSA-N 318.381 -0.379 30 20 DBED CC(C)(C(N)=O)C(=O)N[C@H]1CCN(c2cnc(C#N)cn2)C1 1096445057 UFGSJRYABOSHSD-VIFPVBQESA-N 302.338 -0.445 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H](C)N=c1cc[nH]c(C(=O)OC)n1 1098061539 PFAVPWJFNADCCB-QWRGUYRKSA-N 320.349 -0.360 30 20 DBED C[C@@H](CNC(=O)C[C@@H]1CCNC1=O)Nc1cncc(C#N)n1 1098097421 FGKCWTZCFBBALS-UWVGGRQHSA-N 302.338 -0.209 30 20 DBED CC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1C(=O)CCC1=O 1098353287 GGIBBCHVKQODDJ-UPJWGTAASA-N 303.362 -0.120 30 20 DBED CCC(=O)N1CC[C@H](n2cc(CNCC(=O)NCC#N)nn2)C1 1098589229 UIULCMITKWZCFS-LBPRGKRZSA-N 319.369 -0.809 30 20 DBED C[C@H](CCNC(=O)[C@@H](C)n1cncn1)N=c1cc[nH]c(C#N)n1 1099021269 NJZXXODNOXMLLU-GHMZBOCLSA-N 314.353 -0.070 30 20 DBED C[C@H](CCNC(=O)C[C@@H]1CCC(=O)N1)N=c1cc[nH]c(C#N)n1 1099299130 TXSIFCAZQMIDIJ-MNOVXSKESA-N 316.365 -0.254 30 20 DBED CCC(=O)N[C@H]1CCN(CC(=O)N(CC)CCC#N)C[C@@H]1O 1099613890 OIZUBFUWIPVFBK-STQMWFEESA-N 310.398 -0.290 30 20 DBED N#CCSCC(=O)N[C@@H]1CCN(Cc2cnon2)C[C@H]1O 1099692819 HRLMGQSOWKFSBV-GHMZBOCLSA-N 311.367 -0.622 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2cnnc(C)c2)[C@H](O)C1 1099792669 XTCYDEDNZZIHQO-LSDHHAIUSA-N 318.377 -0.400 30 20 DBED O=C(C#CC1CC1)N[C@H]1CCN(Cc2ncccn2)C[C@@H]1O 1099823768 JYBSWBSVODSVCG-KBPBESRZSA-N 300.362 -0.059 30 20 DBED CN(CCNC(=O)[C@@H]1CCCCC(=O)N1)c1ccnc(C#N)n1 1100320178 QIKWRJHEXHUVMH-NSHDSACASA-N 316.365 -0.041 30 20 DBED C#CCCNC1CC(CNC(=O)CCCn2c(O)nnc2O)C1 1100463685 PVXUFMZXFBIGKE-UHFFFAOYSA-N 321.381 -0.023 30 20 DBED N#CCNC1CC(CNC(=O)Cn2nnc(-c3ccco3)n2)C1 1100470840 DBNFRFIZEVXCHB-UHFFFAOYSA-N 315.337 -0.059 30 20 DBED CCN(CCNC(=O)[C@H](C)NC(N)=O)c1ccc(C#N)nc1 1100501082 SYEQQRZYSZGKCP-JTQLQIEISA-N 304.354 -0.047 30 20 DBED N#Cc1ccc(N2CC[C@@H](CNC(=O)Cn3cnnn3)C2)nc1 1100927183 AFNOIVUWLFWHSR-LBPRGKRZSA-N 312.337 -0.418 30 20 DBED CNS(=O)(=O)CC(=O)N(C)CCNc1ccc(C#N)nc1 1101626990 JZAKJNBQYKXPGS-UHFFFAOYSA-N 311.367 -0.627 30 20 DBED CN(CCNc1cnc(C#N)cn1)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 1101959547 ZHOMSJIHCPNKQZ-WDEREUQCSA-N 318.337 -0.749 30 20 DBED C=CCN1C[C@@H](C)[C@H](CNC(=O)[C@@H](C)NS(C)(=O)=O)C1 1102402210 UZFCTVORLOYRFC-IJLUTSLNSA-N 303.428 -0.206 30 20 DBED CC[C@H](CNC(=O)[C@@H]1CN(C)CCO1)N=c1cc[nH]c(C#N)n1 1103032028 AQONEEZEIOHYBM-NEPJUHHUSA-N 318.381 -0.593 30 20 DBED CC[C@@H](CNC(=O)CN1CCOCC1)Nc1nccnc1C#N 1103034728 NGWMWWXPCAQUNH-LBPRGKRZSA-N 318.381 -0.013 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H](CC)Nc1ccc(C#N)nn1 1103039922 YFUNZJFCTWCQAB-NSHDSACASA-N 314.349 -0.206 30 20 DBED Cc1cc(=NC[C@@H](C)CNC(=O)CCNC(N)=O)c(C#N)c[nH]1 1103968189 ZLQRPNAYYWEXCW-SNVBAGLBSA-N 318.381 -0.094 30 20 DBED CC(=O)NCC(=O)N[C@@H](CN=c1cc[nH]c(C#N)n1)CC(C)C 1104890607 CUSZYWQLTULTSL-GFCCVEGCSA-N 318.381 -0.151 30 20 DBED C#CCNCc1cn(C2CN(C(=O)c3cc(C#N)c[nH]3)C2)nn1 1105204875 IAYMLMYWPSZTMD-UHFFFAOYSA-N 309.333 -0.102 30 20 DBED CN(CCN(C)c1cncc(C#N)n1)C(=O)[C@H]1COCCN1C 1105373409 VQVAKWMLBQTWSV-CYBMUJFWSA-N 318.381 -0.427 30 20 DBED N#CCSCC(=O)NC[C@@H](O)CNc1nccnc1C#N 1105753507 ACBXIDGCZOAFED-SECBINFHSA-N 306.351 -0.506 30 20 DBED C=CCO[C@H](C)C(=O)NC[C@H](O)CNc1nccc(OC)n1 1105892507 YOXPYYRLECRVHP-MNOVXSKESA-N 310.354 -0.035 30 20 DBED C[C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@H]1CNCC(=O)NCC#N 1105945012 HWDJLMHLGIPPMM-MCIONIFRSA-N 321.425 -0.596 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](C)[C@H](CNCCNS(C)(=O)=O)C1 1105952100 QHKPACHYZHNBNK-QJPTWQEYSA-N 316.427 -0.621 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H](O)CNc1nccc(OC)n1 1105970147 AZZXXUVQNYKLPC-WDEREUQCSA-N 308.338 -0.588 30 20 DBED CN(C)CCCC(=O)NC[C@@H](O)CNc1ccc(C#N)nn1 1106076406 SOXMEROSFNAVKG-LBPRGKRZSA-N 306.370 -0.421 30 20 DBED C=CCCC(=O)NCc1cn(C2CN([C@H](C)C(=O)NC)C2)nn1 1107142797 QCNQUFUVNIZJLO-LLVKDONJSA-N 320.397 -0.148 30 20 DBED C[C@H](CNc1nccnc1C#N)NC(=O)C1CS(=O)(=O)C1 1107951992 OGRWGDPAKREULC-MRVPVSSYSA-N 309.351 -0.691 30 20 DBED CN1CC[C@H](CC(=O)NC[C@]2(C)CN(CC#N)CCO2)C1=O 1108015320 VAYREYQSUOCDGI-IUODEOHRSA-N 308.382 -0.415 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)[C@@H]2COCCN2C(C)=O)C1 1108407914 FICBPFIXYZMNJN-GOEBONIOSA-N 323.393 -0.926 30 20 DBED C[C@@H](CNc1ccc(C#N)nn1)NC(=O)C[C@H]1CC(=O)NC1=O 1108435434 APZAYNCCIXNFHZ-IUCAKERBSA-N 316.321 -0.682 30 20 DBED C=CCCN1CC(N2C[C@H](NC(=O)[C@@H](C)NC(C)=O)CC2=O)C1 1108500657 WTKFZRWVPKKTOQ-DGCLKSJQSA-N 322.409 -0.512 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCN1C(=O)CNC1=O 1109087826 CSJXAYKSASXNIH-WYUUTHIRSA-N 319.365 -0.581 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H](C)CN(C)c1ccc2nnnn2n1 1109102062 LFCSBVCOUJETOO-MNOVXSKESA-N 317.353 -0.502 30 20 DBED Cc1nc(N(C)C[C@@H](C)NC(=O)[C@H]2CNC(=O)N2)ccc1C#N 1109210649 FLHJCDSSQFPZQJ-BXKDBHETSA-N 316.365 -0.116 30 20 DBED CNC(=O)NCC(=O)N[C@@H](C)CN(C)c1ccncc1C#N 1109287310 JVTYDVQNSLKZSH-JTQLQIEISA-N 304.354 -0.177 30 20 DBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cc1nc[nH]n1 1109961025 KKUIJOCQALFBEJ-WOPDTQHZSA-N 318.381 -0.629 30 20 DBED COCCC(=O)NC[C@]1(O)CCN(c2nccnc2C#N)C1 1111016177 ZQFJERAMLWZLER-CQSZACIVSA-N 305.338 -0.558 30 20 DBED CN(C)CCCC(=O)N(CCO)CCNc1cncc(C#N)n1 1111552086 VODPRLKABNNVSQ-UHFFFAOYSA-N 320.397 -0.077 30 20 DBED C#CCNC(=O)CC(=O)N[C@]12CCC[C@H]1CN(C[C@H](C)O)C2 1111712865 HZTMUEVBAOWTCF-XEZPLFJOSA-N 307.394 -0.523 30 20 DBED CO[C@@H](C)CC(=O)N1CCO[C@@H](CN=c2cc[nH]c(C#N)n2)C1 1111937166 HKBSOOFKPLKZIQ-RYUDHWBXSA-N 319.365 -0.166 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)c2ccnn2C)CC1 1112670325 VLWARCCNAWWRJC-LBPRGKRZSA-N 303.366 -0.684 30 20 DBED Cc1cc(O)ncc1C(=O)N1CCN(CC(=O)NCC#N)CC1 1113334680 AOVKPKRBAPGWOZ-UHFFFAOYSA-N 317.349 -0.507 30 20 DBED COC(=O)NCC(=O)NC[C@H](C)N(C)c1nccnc1C#N 1113512647 MYOSMKICABEEET-VIFPVBQESA-N 306.326 -0.355 30 20 DBED C[C@H](NC(N)=O)C(=O)NC[C@H](C)N(C)c1nccnc1C#N 1113577568 GHHUPXWKAUXNQM-IUCAKERBSA-N 305.342 -0.654 30 20 DBED CCc1nc(C#N)cc(N2C[C@@H]3C(CNC(=O)C(N)=O)[C@H]3C2)n1 1114619844 DYZUMDWDGZWFHD-GHMZBOCLSA-N 314.349 -0.806 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)Cc3cnc[nH]3)[C@H]2C1 1114888628 KZNVVEYDIUREBA-MUYACECFSA-N 315.377 -0.864 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)c3ccn(C)n3)[C@H]2C1 1115243110 JAOLQQGIOMILCN-NMKXLXIOSA-N 315.377 -0.782 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)C(=O)NCc2ccc(O)cc2)C1 1118207794 RURAEANBAYNSHX-OAHLLOKOSA-N 303.318 -0.115 30 20 DBED N#Cc1cccc(CNC(=O)C(=O)N2CCC(O)(CO)CC2)c1 1118656295 WJEQRRHWOUYAET-UHFFFAOYSA-N 317.345 -0.480 30 20 DBED C[C@@H](CN(C)C(=O)[C@@H]1CCNC1=O)N=c1cc[nH]cc1C#N 1120410021 XSGDBXOLQRKGSC-CMPLNLGQSA-N 301.350 -0.230 30 20 DBED Cn1cc(C(=O)NC[C@H](CO)N=c2cc[nH]cc2C#N)cn1 1121026150 WVEUVHNFQDCFQM-GFCCVEGCSA-N 300.322 -0.689 30 20 DBED Cc1cc(C(=O)NC[C@@H](CO)N=c2cc[nH]cc2C#N)on1 1121063105 XXBBWRACCPKWGZ-NSHDSACASA-N 301.306 -0.126 30 20 DBED COCCOCC(=O)NC[C@@H](CO)Nc1ncccc1C#N 1121212939 KCWZKWCNVAIMGI-LBPRGKRZSA-N 308.338 -0.495 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)[C@@H]2CCNC(=O)C2)nc1 1121312029 YBJLPVNVMWZKRY-VXGBXAGGSA-N 317.349 -0.632 30 20 DBED CC(=O)NC(C)(C)C(=O)NC[C@@H](CO)Nc1ccc(C#N)nn1 1121778359 SWQKJQKVFOHUAT-NSHDSACASA-N 320.353 -0.848 30 20 DBED N#Cc1nccnc1N[C@H](CO)CNC(=O)CO[C@H]1CCOC1 1122071996 UACZSYXFMQCDKQ-QWRGUYRKSA-N 321.337 -0.957 30 20 DBED C=C(C)Cn1c(CO)nnc1N1CCN(CCOC)C(=O)C1 1122547318 ADBRTNVGXGBYBA-UHFFFAOYSA-N 309.370 -0.359 30 20 DBED N#CCSCC(=O)NCCNCC(=O)NC[C@H]1CCOC1 1123799329 PZBQLKFUBABTPX-LLVKDONJSA-N 314.411 -0.898 30 20 DBED CC(=O)NCC(=O)N(C)C[C@@H](O)CNc1ccc(C#N)cn1 1124085949 GNQKZNBWDAIADH-LBPRGKRZSA-N 305.338 -0.679 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](O)CN(C)C(=O)c2cn[nH]c2)n1 1124179017 BHJJRKCHIIBFHT-GFCCVEGCSA-N 315.337 -0.075 30 20 DBED CN(C[C@@H](O)CNc1nccnc1C#N)C(=O)c1cncnc1 1124329554 LOBCEHJJXIWCMX-NSHDSACASA-N 313.321 -0.317 30 20 DBED CN(C[C@@H](O)CNc1ccc(C#N)cn1)C(=O)[C@@H]1CCC(=O)N1 1124429477 ZBRFWSWKXXLNLK-RYUDHWBXSA-N 317.349 -0.537 30 20 DBED COC[C@H](C)C(=O)N(C)C[C@H](O)CN(C)c1cncc(C#N)n1 1124988813 NKLXVVLURLEMKF-WCQYABFASA-N 321.381 -0.114 30 20 DBED CC(C)CNC(=O)NC(=O)[C@H](C)NCCNC(=O)C#CC1CC1 1126886026 NPXXTVKSMFDRKR-LBPRGKRZSA-N 322.409 -0.024 30 20 DBED C#CCCN1CCn2ncc(CNC(=O)CC(=O)N(C)C)c2C1 1128512419 JJLHGEWVFJVBQL-UHFFFAOYSA-N 317.393 -0.184 30 20 DBED C=CCN[C@@H]1CN(C(=O)[C@@H](C)NC(C)=O)C[C@@H]1n1ccnn1 1129547894 RGYNUCWWFWPVSD-RTXFEEFZSA-N 306.370 -0.670 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@@]1(CC(C)C)CCNC1=O 1129875621 VKCIDOZJIAXZOI-MRXNPFEDSA-N 324.425 -0.453 30 20 DBED C#CCN1CCOC[C@@H]1c1n[nH]c(CNC(=O)[C@H](CC)OC)n1 1130835740 QKICNVMCZYZHAX-NEPJUHHUSA-N 321.381 -0.148 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1nc[nH]c2nccc1-2 1130853709 KVDXZDFYZSSVEM-UHFFFAOYSA-N 302.338 -0.469 30 20 DBED COCC#CCNCCNC(=O)C(=O)Nc1ccc(OC)cc1 1130949506 UMVQJQFULHATLU-UHFFFAOYSA-N 319.361 -0.011 30 20 DBED Cc1[nH]nc2ccc(C(=O)NCCNCC(=O)NCC#N)cc12 1131185797 IWJKJFIKSLWGNS-UHFFFAOYSA-N 314.349 -0.170 30 20 DBED COCC#CCN1CCNC(=O)CCN(C(=O)C(F)F)CC1 1131321397 QXHOSIIVPSYPLU-UHFFFAOYSA-N 317.336 -0.448 30 20 DBED CCc1cc(C(=O)NCCNCC(=O)NCC#N)cc(O)n1 1131412444 BLNPRKZKRMLZMU-UHFFFAOYSA-N 305.338 -0.691 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1c[nH]nc1[C@@H]1CCOC1 1131907295 IEXGMXMATOAUHH-LLVKDONJSA-N 321.381 -0.465 30 20 DBED CC#CCN1C[C@H](NC(=O)CCn2ncn(C)c2=O)CC[C@@H]1C 1132199041 FCTQAARSDRHILX-UONOGXRCSA-N 319.409 -0.036 30 20 DBED N#Cc1ccc(CNCCNC(=O)CN2CCNC(=O)C2)s1 1132318197 SFBZVJVMEXYWHZ-UHFFFAOYSA-N 321.406 -0.743 30 20 DBED C[C@H]1CC[C@H](NC(=O)c2cnn(C)n2)CN1CC(=O)NCC#N 1132345366 QBZVMMDQLIMALB-QWRGUYRKSA-N 319.369 -0.962 30 20 DBED C[C@@H]1CCN(C(=O)C(=O)NCC(F)F)C[C@@H]1CNCC#N 1132937428 KNDIZECYZQNHFO-ZJUUUORDSA-N 302.325 -0.035 30 20 DBED C[C@H]1CCN(C(=O)COCc2nncn2C)C[C@@H]1CNCC#N 1133212284 AWXDRGOZBCLGOF-STQMWFEESA-N 320.397 -0.071 30 20 DBED CC#CCNC[C@H]1CN(C(=O)CS(=O)(=O)NC)CC[C@@H]1C 1133337457 NSCYFHQRUZWAJO-STQMWFEESA-N 315.439 -0.367 30 20 DBED C=CCCC(=O)N[C@H](C)C[C@H](C)NCC(=O)N1CCNC(=O)C1 1133888379 IYYITURWOFYNIG-QWHCGFSZSA-N 324.425 -0.216 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)C[C@H](C)NCc1cnn(C)c1 1134131141 RFZDNILGAOKGAG-STQMWFEESA-N 319.409 -0.068 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)C[C@H](C)NCc1ncccn1 1134131321 UTONFCIJGOXETD-STQMWFEESA-N 317.393 -0.011 30 20 DBED COc1nc(C(=O)N[C@@H](C)C[C@H](C)NCC(=O)NCC#N)co1 1135093528 WQKWMRIVUDLQMC-UWVGGRQHSA-N 323.353 -0.191 30 20 DBED N#CCNC(=O)CN1CCC2(C1)CN(C(=O)c1cnns1)C2 1147065480 BGURCLKRLNETPU-UHFFFAOYSA-N 320.378 -0.674 30 20 DBED C=CCC[C@@H](C)NCCNC(=O)[C@@H](C)NC(=O)Cn1cnnn1 1147364542 ZKRNBTTUFALKEB-VXGBXAGGSA-N 323.401 -0.762 30 20 DBED N#CCNC(=O)CN1CCC2(C1)CN(C(=O)CN1CCCC1)C2 1148755328 VDZSYZPGLQGQKS-UHFFFAOYSA-N 319.409 -0.744 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1ccc(C(N)=O)cc1 1150754020 YQIBLBBCXJGTCK-UHFFFAOYSA-N 304.350 -0.593 30 20 DBED Cc1n[nH]c(C)c1C[C@H](C)C(=O)NCCNCC(=O)NCC#N 1151545468 FXBJVBGQKURPTI-JTQLQIEISA-N 320.397 -0.449 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H](C)c1cnn(C)c1 1154014164 VGUHRSBSXQMTHX-NWDGAFQWSA-N 307.398 -0.080 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)CCOCC(F)F 1158163404 ORLNFUBGGDJCNS-LLVKDONJSA-N 319.352 -0.108 30 20 DBED C#CCC1(C(=O)NCCCNCC(=O)NC(N)=O)CCOCC1 1159644702 UYTRRBOZEPXQSY-UHFFFAOYSA-N 324.381 -0.903 30 20 DBED COCC1(CNC(=O)[C@H]2C[C@H]2C(N)=O)CCN(CC#N)CC1 1162488036 TZMUCEKXLKSXSM-NEPJUHHUSA-N 308.382 -0.524 30 20 DBED C=CCOCC(=O)NCCC1(CN[C@@H]2CCC(=O)NC2=O)CC1 1163803897 BYNUJKNUWQVVLS-GFCCVEGCSA-N 323.393 -0.130 30 20 DBED C[C@@H](CCCCNCC(=O)NCC#N)NC(=O)c1ncc[nH]1 1170637249 CWXOOMBKJNBGQI-NSHDSACASA-N 306.370 -0.072 30 20 DBED CC(C)n1cc(C(=O)NCCCNCC(=O)NCC#N)cn1 1170951647 NBXBYYMZHUQKNH-UHFFFAOYSA-N 306.370 -0.187 30 20 DBED C#CCCN1CCO[C@H]2CCN(C(=O)COCCOC)C[C@@H]21 1176969429 LMKHDHIUUJACEU-GJZGRUSLSA-N 310.394 -0.026 30 20 DBED C#CCNC(=O)CNCCCNC(=O)CCc1cscn1 1177320306 GEDKDCIJZIEGTA-UHFFFAOYSA-N 308.407 -0.079 30 20 DBED COCC#CCNCCCCCCNC(=O)[C@@H]1CNC(=O)N1 1179414547 DXIVWFLCODJZSF-ZDUSSCGKSA-N 310.398 -0.416 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](NCC(=O)NC(=O)NC2CC2)C1 1181653282 WMZOAHFEEYUKNP-GXSJLCMTSA-N 307.354 -0.675 30 20 DBED COCC#CCN1C[C@@H]2CCN(C(=O)CCc3nc[nH]n3)[C@@H]2C1 1187472908 SFAXSCHYPXPEIL-UONOGXRCSA-N 317.393 -0.080 30 20 DBED C#CCCN1C[C@@H]2CCN(C(=O)[C@H](C)NS(C)(=O)=O)[C@@H]2C1 1189245636 DDKMYZFRFWXLRL-RWMBFGLXSA-N 313.423 -0.520 30 20 DBED C#CCCN(C)[C@@H]1CCN(C(=O)CCc2nnc(O)nc2O)C1 1191119137 NETCRNLHYOLTQY-LLVKDONJSA-N 319.365 -0.229 30 20 DBED CC#CCCCC(=O)N[C@@H]1CN([C@H]2CCC(=O)NC2=O)C[C@H]1O 1195467673 RUZVCSSTMPFIKW-FRRDWIJNSA-N 321.377 -0.854 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)Cn2ccc(C)n2)C1 1196234288 FIWOSXNZZLYGPY-ZIAGYGMSSA-N 306.366 -0.997 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)CNC(=O)c2cccs2)C1 1198353344 SLFOOTLQLAMYNF-VXGBXAGGSA-N 321.402 -0.338 30 20 DBED C=CCOCC(=O)N1CCC(N[C@H](C)C(=O)NC(N)=O)CC1 1199776270 BXNAPBIVYRFAOL-SNVBAGLBSA-N 312.370 -0.647 30 20 DBED COCC#CCNC[C@H]1CN(C(=O)c2cncnc2)CCCO1 1200338413 NRLZANOIZTVEGE-HNNXBMFYSA-N 318.377 -0.053 30 20 DBED C#CCOCCC(=O)N1CCC(NCc2nnnn2C)CC1 1200513480 FNJVLNUDCREVEF-UHFFFAOYSA-N 306.370 -0.669 30 20 DBED N#CCNC[C@@H]1CN(C(=O)[C@@H]2CCNC(=O)CC2)CCCO1 1201081230 TVDAOQOKKKVPJY-QWHCGFSZSA-N 308.382 -0.367 30 20 DBED C[C@H]1CCCN(C(=O)C(=O)N2CCCO[C@H](CNCC#N)C2)C1 1201576803 OSTCAZQYKOXTJX-UONOGXRCSA-N 322.409 -0.024 30 20 DBED CC#CCNC1CCN(C(=O)CS(=O)(=O)N(C)C)CC1 1203551187 MEBMQXCVTBDSOJ-UHFFFAOYSA-N 301.412 -0.518 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)c2cnc(C)[nH]2)[C@H](C)C1 1206585845 FVVSFPNNOIQIPF-UHIISALHSA-N 317.393 -0.094 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 1206885992 ODXCOPCQPFZXSC-ZWNOBZJWSA-N 314.349 -0.424 30 20 DBED COCC#CCN[C@H]1CCCN(C(=O)CNC(=O)C2CC2)C1 1207514503 DVFVIJQKAIEZEQ-AWEZNQCLSA-N 307.394 -0.257 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC[C@H](NCC(=O)NCC#N)C1 1208018417 OSNIMLDICRIIQO-STQMWFEESA-N 306.366 -0.755 30 20 DBED COCC(C)(C)C(=O)N1CCC[C@@H](NCC(=O)NCC#N)C1 1208566537 KIQJUXRPODRZAL-GFCCVEGCSA-N 310.398 -0.121 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2ccncn2)[C@H](C)C1 1209605981 DUZHUFFDZRTDOU-DGCLKSJQSA-N 301.350 -0.724 30 20 DBED Cc1cnoc1C(=O)N1CCC[C@H](NCC(=O)NCC#N)C1 1210457593 VEOTWGUPTZTSMP-NSHDSACASA-N 305.338 -0.183 30 20 DBED CCNC(=O)CCC(=O)N1C[C@@H](NCC#CCOC)[C@H](C)C1 1214322474 GLNGDJRVXUACSO-ZIAGYGMSSA-N 309.410 -0.011 30 20 DBED C[C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@H]1NCC(=O)NCC#N 1214344216 OSEATIYCNWSNRP-UPJWGTAASA-N 307.398 -0.843 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)CCC(C)C)C1 1219173781 VKLAQMUIIXKMDI-MJBXVCDLSA-N 309.410 -0.278 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(CCOCC(F)F)C[C@@H]1O 1219604909 CUJZRUOXOTVDOK-UTUOFQBUSA-N 320.336 -0.532 30 20 DBED CC#CCCCC(=O)N[C@@H]1CN(CC(=O)N(C)C2CC2)C[C@@H]1O 1220175584 BNCGJZSCFXJRHP-CABCVRRESA-N 321.421 -0.038 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)N[C@@H]1CN(CC#CC)C[C@@H]1O 1221089516 JFNBSLBFIWUFNC-OLZOCXBDSA-N 322.409 -0.565 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC[C@H]2CCN(CC(=O)NC)[C@H]2C1 1222603432 OMASLYKFWWZRPS-WWGRRREGSA-N 309.410 -0.018 30 20 DBED C[C@@H]1C[C@H](C(=O)NCC2CCN(CC(=O)NCC#N)CC2)CO1 1223654282 KGVGSFCFZPQCGM-OCCSQVGLSA-N 322.409 -0.121 30 20 DBED CN(CCCN1CCCC1)C(=O)C(=O)N1CC[C@](O)(CC#N)C1 1261484991 OSZZOPDFERGNIG-MRXNPFEDSA-N 322.409 -0.192 30 20 DBED C[C@@H](NC(=O)C(=O)Nc1cnn(CC#N)c1)[C@@H]1CN(C)CCO1 1319439784 TVSDMOISTGZBMO-PWSUYJOCSA-N 320.353 -0.820 30 20 DBED C[C@@H](NC(=O)C(=O)Nc1cnn(CC#N)c1)[C@H]1CN(C)CCO1 1319439785 TVSDMOISTGZBMO-ZYHUDNBSSA-N 320.353 -0.820 30 20 DBED C#CCSCCNC(=O)C(=O)NC[C@H]1COC(C)(C)O1 1323346211 MYGMJGGPIQMQMU-JTQLQIEISA-N 300.380 -0.263 30 20 DBED C=C[C@H](COC)NC(=O)NCC1(O)CCS(=O)(=O)CC1 1326794735 XXEPTLYCVPTTTB-SNVBAGLBSA-N 306.384 -0.574 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N[C@@H]1C[C@H]2CCCCN2C1=O 1328967537 GGTRWTDHWXYDFB-CHWSQXEVSA-N 323.393 -0.083 30 20 DBED C#CCOCCNC(=O)C(=O)N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1329098698 JFDYKRXTGXHNIZ-NXEZZACHSA-N 322.283 -0.069 30 20 DBED C#CCN1CCC[C@@H](NC(=O)N2CC[C@@H](S(C)(=O)=O)C2)C1 1333216727 YBYXKTBSOCIYJX-CHWSQXEVSA-N 313.423 -0.088 30 20 DBED COCC#CC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1333883798 DHQQVQRKYBYOAZ-OLZOCXBDSA-N 315.391 -0.169 30 20 DBED CCO[C@H]1C[C@@H](NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1 1336152258 ZNCSCIUUMYFHCS-FPMFFAJLSA-N 320.393 -0.131 30 20 DBED C=C(CO)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1CO 1336322562 KYQICGCEEHCRRR-LLVKDONJSA-N 300.355 -0.025 30 20 DBED C=CCn1c(COC)nnc1N1CCO[C@@H](CNC(C)=O)C1 1338907677 PVEJXEQTUAHHMT-LBPRGKRZSA-N 309.370 -0.048 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCC[C@H](c2nc(C)no2)C1 1346541811 AIRCQCMXGXIOBJ-LBPRGKRZSA-N 320.349 -0.150 30 20 DBED CC(C)(C)N1C[C@@H](NC(=O)C(=O)N2CCO[C@H](C#N)C2)CC1=O 1346995998 KOUZICFAKMQFEE-WDEREUQCSA-N 322.365 -0.747 30 20 DBED Cc1cc(NC(=O)C(=O)NCCCn2cncn2)ncc1C#N 1348267507 DQMNXSYVVFSBKY-UHFFFAOYSA-N 313.321 -0.002 30 20 DBED C#CCn1ccc(CN(CC)C(=O)C(=O)NC[C@H]2C[C@@H](N)C2)n1 1353328832 OTGSOJHFXCTSTA-BETUJISGSA-N 317.393 -0.282 30 20 DBED CNC(=O)CN(Cc1ccccc1)C(=O)Cn1cnc(C#N)n1 1362799840 PAAFHZKOFOEBFB-UHFFFAOYSA-N 312.333 -0.075 30 20 DBED N#Cc1cn(CCNC(=O)[C@H]2[C@H]3C(=O)CC[C@H]32)c(=O)nc1O 1363483722 PBVATLSIWULGCD-FBIMIBRVSA-N 302.290 -0.838 30 20 DBED C[C@@H](CN(C)CCS(C)(=O)=O)NC(=O)c1cc(C#N)c[nH]1 1375026758 VTKKJRJXQSDJCA-JTQLQIEISA-N 312.395 -0.019 30 20 DBED C[C@H](CNC(=O)c1cc(C#N)c[nH]1)N(C)C(=O)c1cnn(C)n1 1382944690 DYZHHSXNKRMREY-SECBINFHSA-N 315.337 -0.095 30 20 DBED COc1c[nH]c(C(=O)NC[C@@H](C)NC(=O)[C@@H](C)C#N)cc1=O 1386928370 FZZORXSIUZKHRZ-DTWKUNHWSA-N 306.322 -0.222 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CC[C@H](NC(=O)[C@H](C)NC(N)=O)CC1 1399254340 YZDFUTYBDIWLKV-NAKRPEOUSA-N 309.370 -0.254 30 20 DBED C=C(Br)CNC[C@H](O)CNC(=O)CN(C)C(C)=O 1401486886 IHISQJFHKDZYOT-JTQLQIEISA-N 322.203 -0.560 30 20 DBED C[C@H](C#N)C(=O)NCCN(C)Cc1cc(=O)n2nccc2[nH]1 1403510328 VXCKDPXMPYNLPP-SNVBAGLBSA-N 302.338 -0.270 30 20 DBED C=C(Cl)CN1CC(O)(CNC(=O)CCCS(C)(=O)=O)C1 1407426151 BFMBQAGTZJNKMU-UHFFFAOYSA-N 324.830 -0.273 30 20 DBED C[C@H](C#N)C(=O)N(CCNC(=O)c1nccnc1N)C1CC1 1408905731 UCAFDNWQFZKLLN-SECBINFHSA-N 302.338 -0.061 30 20 DBED CC[C@@H](CNC(=O)CN(C)S(C)(=O)=O)NC(=O)[C@H](C)C#N 1409297044 OEPCPROMNSGZHX-ZJUUUORDSA-N 318.399 -0.952 30 20 DBED C[C@@H](Cc1ccncc1)NC(=O)Cn1cc(C#N)c(O)nc1=O 1412607431 GFQLXNBNHMNAHN-JTQLQIEISA-N 313.317 -0.037 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(N(CCO)Cc2ncnn2C)CC1 1440527958 FCBAGYNAXVFNTA-LBPRGKRZSA-N 320.397 -0.240 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCN(C(=O)C3(NC(N)=O)CC3)C2)C1 1445224841 JQYMWMHEZFOLGS-SNVBAGLBSA-N 319.365 -0.592 30 20 DBED C[C@@H](C#N)C(=O)N(CCNC(=O)c1ccc(C(N)=O)[nH]1)C1CC1 1449945764 WILSOSUUXOEBCP-VIFPVBQESA-N 317.349 -0.006 30 20 DBED CC[C@H](CNC(=O)CNC(C)=O)NC(=O)c1ccc(C#N)[nH]1 1450811784 GWRXTQICOGLWJP-SNVBAGLBSA-N 305.338 -0.353 30 20 DBED COCCn1cc(C(=O)NC2(CNC(=O)[C@H](C)C#N)CC2)nn1 1506192657 LSOBCWZUTDOAAH-SNVBAGLBSA-N 320.353 -0.537 30 20 DBED N#Cc1c[nH]c(=O)n(Cc2cc(=O)n3ccsc3n2)c1=O 1559428512 KQJIBFOKHWEJBI-UHFFFAOYSA-N 301.287 -0.474 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N1CC[C@@H]2[C@H](C1)[C@@H]2C(=O)O 1573396988 CBNXQOYUXXUQDK-ZRUFSTJUSA-N 301.368 -0.025 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](C)N(C)c1ccc(-c2nn[nH]n2)nn1 1573576845 KHDVLUPETOLNDM-DTWKUNHWSA-N 315.341 -0.243 30 20 DBED C[C@]1(C(=O)O)CN(CC(=O)N(CCC#N)CCC#N)CCO1 1573606469 QVEDNEYJEOYTAS-CQSZACIVSA-N 308.338 -0.182 30 20 DBED C#CCN(CC(=O)O)C(=O)[C@@H]1CNC(=O)C[C@H]1C(F)(F)F 1588399144 GTZGHIVVQOVOPI-HTQZYQBOSA-N 306.240 -0.153 30 20 DBED C#CCN(CC(=O)O)C(=O)NCCc1nnc(S)n1CC 1588409562 ZNOZOXFRCUBANR-UHFFFAOYSA-N 311.367 -0.141 30 20 DBED C=C[C@H](O)C(=O)O[C@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 1588526232 SVGZMNGAQUQYFM-UWVGGRQHSA-N 303.278 -0.517 30 20 DBED CCOC(=O)[C@H](C)N(C)c1cnc(-c2nn[nH]n2)c(C#N)n1 1590771056 VVPCADKLJWFNNW-ZETCQYMHSA-N 302.298 -0.084 30 20 DBED N#Cc1nc(NC(=O)[C@H]2CCc3nccn3C2)[nH]c1-c1nn[nH]n1 1592683697 WUQQLSKGQUPEMR-ZETCQYMHSA-N 324.308 -0.141 30 20 DBED CN(C(=O)c1ccc(C#N)[nH]1)C1CN(C(=O)[C@@H]2C[C@@H]2C(=O)O)C1 1598083135 LJNAYZWDFRCMFL-MNOVXSKESA-N 316.317 -0.110 30 20 DBED N#CC1(CNC(=O)C(=O)Nc2ccc(-c3nn[nH]n3)cn2)CC1 1606343317 MDWGGDOWCWWVED-UHFFFAOYSA-N 312.293 -0.380 30 20 DBED Cn1nnc2c1C[C@H](C(=O)OCCn1ncc(C#N)c1N)CC2 1646834910 ZCOFUJHUPMSRIK-SECBINFHSA-N 315.337 -0.186 30 20 DBED C=C(Br)Cn1nnnc1N(C)[C@@H]1CCNC1=O 1647500825 ZHDOPLXUVJCZST-SSDOTTSWSA-N 301.148 -0.094 30 20 DBED N#CCNC(=O)CNC[C@@H]1CCCCN1C(=O)C1=CCOCC1 1725028180 UOSAVAPTHFOPJO-AWEZNQCLSA-N 320.393 -0.056 30 20 DBED C#CCNC(=O)CN1CC[C@@H](CNC(=O)Cc2cncs2)C1 1753127861 WYKQCBJMGGIQAA-LBPRGKRZSA-N 320.418 -0.127 30 20 DBED C#CCN1CC[C@@H](CNC(=O)CCCN2C(=O)CNC2=O)C1 1753139247 XLKFNMKMQJROOO-LBPRGKRZSA-N 306.366 -0.610 30 20 DBED N#CCNC(=O)CN1CC[C@@H](CCNC(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1753333548 IZPGISBKYQVXGB-CXTNEJHOSA-N 320.393 -0.653 30 20 DBED CC#CCCCC(=O)NC[C@@H]1CN(Cc2nnnn2C)CCO1 1753652284 DXTGBXBIWFUUBI-CYBMUJFWSA-N 320.397 -0.279 30 20 DBED CC(C)C#CC(=O)NC[C@@H](O)CNCc1noc2c1COCC2 1753909145 FULRYIUMFGOGBG-LBPRGKRZSA-N 321.377 -0.027 30 20 DBED C#CCCN(C)C[C@@H](C)NC(=O)c1cn(C)c(=O)n(C)c1=O 1754327135 XRUNDCLGUQZTNT-LLVKDONJSA-N 306.366 -0.843 30 20 DBED C#CCNC(=O)CN1CC(N(C)C(=O)c2ccn(C)c2C)C1 1754581340 ZEKACZMOLCTZOQ-UHFFFAOYSA-N 302.378 -0.161 30 20 DBED N#CCNC[C@@H]1CCCN1C(=O)CCc1nnc(O)nc1O 1754613490 LYOCBBRNMGJLRX-VIFPVBQESA-N 306.326 -0.680 30 20 DBED Cc1nccn1CC(=O)N(C)CCCN(C)CC(=O)NCC#N 1755045536 ZCJAWZFTPCCZLV-UHFFFAOYSA-N 320.397 -0.388 30 20 DBED C#CCCCC(=O)N[C@H]1COC2(C1)CN(Cc1nnnn1C)C2 1755058733 KCEUQJDCEIWMAS-GFCCVEGCSA-N 318.381 -0.527 30 20 DBED CC#CCN[C@H](CO)CNC(=O)CNC(=O)c1cccc(F)c1 1755646303 NAFOJAVDJYPAIQ-AWEZNQCLSA-N 321.352 -0.355 30 20 DBED C#CCNC(=O)CN[C@@H]1C[C@@H](C)N(C(=O)c2cc(C#N)c[nH]2)C1 1755675176 OWXURQLTSOPDQG-DGCLKSJQSA-N 313.361 -0.172 30 20 DBED C=CCOCC(=O)N[C@H](C)C1CN(C(=O)[C@@H]2CCC(=O)NC2)C1 1756134751 LAPVCKVFTVWDKY-VXGBXAGGSA-N 323.393 -0.322 30 20 DBED C#CCCCCC(=O)N[C@H](C)C1CN(C(=O)Cn2cnnn2)C1 1756136106 DTSDWPVWXLDDDQ-GFCCVEGCSA-N 318.381 -0.170 30 20 DBED C[C@@H](CN(C)C(=O)C#CC1CC1)NC(=O)C1CS(=O)(=O)C1 1756451128 SMYZDDRZHDLVNH-JTQLQIEISA-N 312.391 -0.593 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H](CO)NC(=O)c1c[nH]c(C#N)c1 1756521603 TWVRYCPJBCATKZ-GWCFXTLKSA-N 318.333 -0.868 30 20 DBED COCCN(CCC#N)S(=O)(=O)NCc1nnc(C)n1C 1771688726 BSJOZUBFHXIJSC-UHFFFAOYSA-N 316.387 -0.680 30 20 DBED C#CC(=O)N1CCC(N2CCC(NC(=O)[C@H](O)CC)CC2)CC1 1833260375 WLRUCDWXSAZQKX-OAHLLOKOSA-N 321.421 -0.038 30 20 DBED N#CC1(C(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)CC1 1846195180 LMDYVRPPEFJZCN-UHFFFAOYSA-N 301.302 -0.418 30 20 DBED C#CC(=O)N1CC2(CCCN2C(=O)CSc2nc[nH]n2)C1 1846569374 TTZDUGVVYSEFBX-UHFFFAOYSA-N 305.363 -0.267 30 20 DBED N#CCCNC(=O)COC(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O 136920547 AGYCHENJZTYXGG-PHIMTYICSA-N 321.333 -0.265 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2C[C@@H]2C(=O)OC)CC1 264874802 HFABKYNBQCXXBX-STQMWFEESA-N 321.377 -0.921 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCC2(CCOC)CC2)C1=O 269236120 ZBMQMGYRNJRBMV-UHFFFAOYSA-N 323.349 -0.104 30 20 DBED C[C@@H]1C(=O)NCCN1C(=O)C(=O)NCc1cccc(C#N)c1 284130703 VWACAJDTDPYOKF-SNVBAGLBSA-N 300.318 -0.479 30 20 DBED CCS(=O)(=O)N1CC(C/N=C(/O)[C@H]2COCCN2C)C1 328948738 BWAWLANXYSQURL-LLVKDONJSA-N 305.400 -0.445 30 20 DBED C[C@H](C/N=C(/O)CN1CCN(C)C(=O)C1)CN1CCOCC1 329634988 XLUVNCCHMSIWJG-CYBMUJFWSA-N 312.414 -0.315 30 20 DBED C[C@@H]1CN(/C(O)=N/[C@@H]2CC(=O)N(C)C2)C[C@H]1N1CCOCC1 330114216 DPQUEULYMVNILE-JHJVBQTASA-N 310.398 -0.216 30 20 DBED C[C@@H](O)C[C@@H]1COCCN1C(=O)CNc1ccc(C#N)cn1 330992646 SQWNIJRLVJBTIL-DGCLKSJQSA-N 304.350 0.363 30 20 DBED Cc1c([C@H](C)NS(=O)(=O)N2CCO[C@H](C#N)C2)cnn1C 336903146 CQKAVPRTTVTQQG-GXSJLCMTSA-N 313.383 -0.152 30 20 DBED COC[C@H](NS(=O)(=O)N1CCO[C@H](C#N)C1)[C@H]1CCCO1 337160086 SLQNVNGHCORSDG-GRYCIOLGSA-N 319.383 -0.761 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1CC[C@@H](O)[C@@H](C)C1 337192203 TWTNCYIYJVPKRU-NWDGAFQWSA-N 305.400 -0.204 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CCOC[C@]12CCOC2 337204465 IVZIVLAIGBXOAA-GFCCVEGCSA-N 303.384 -0.042 30 20 DBED CN(C)C(=O)[C@H]1CCCN1C(=O)C(=O)Nc1ccc(C#N)cn1 340116758 OLXOICVEZFYBDA-LLVKDONJSA-N 315.333 -0.029 30 20 DBED COCCN(CC(=O)N(C)C)S(=O)(=O)N(C)CCC#N 340440952 WIFVEMOZJDWBIH-UHFFFAOYSA-N 306.388 -0.887 30 20 DBED CN(C)C(=O)[C@H]1CC[C@@H](CNS(=O)(=O)CCCC#N)O1 341208741 ZLUVNNFASREIME-WDEREUQCSA-N 303.384 -0.155 30 20 DBED C=CCNC(=O)CNC(=O)N[C@H]1CCO[C@@H]1c1nccn1C 345590769 KLWHHHHDQQFIDL-JQWIXIFHSA-N 307.354 -0.149 30 20 DBED CNC(=O)NC(=O)CNc1nn(-c2ccc(C#N)cn2)cc1C 359101057 JGDCNFFFRDDORF-UHFFFAOYSA-N 313.321 0.315 30 20 DBED C=CCOc1cc(OC)ccc1C(=O)NC(C(N)=O)C(N)=O 362115502 DGCNLZTUDRXELF-UHFFFAOYSA-N 307.306 -0.671 30 20 DBED CN1CCNC[C@@H]1CNS(=O)(=O)Cc1cccc(C#N)c1 394410806 OBIZRZHTZXHGAE-CQSZACIVSA-N 308.407 -0.119 30 20 DBED C[C@H](O)CN1CCN(S(=O)(=O)N(C)[C@@H](C)CC#N)[C@H](C)C1 407976103 SHWAGOKZILZBLI-XQQFMLRXSA-N 318.443 -0.148 30 20 DBED C[C@H]1[C@H](C)S(=O)(=O)CCN1S(=O)(=O)N(C)CCC#N 408192156 KOTPQAGOKLWVQZ-UWVGGRQHSA-N 309.413 -0.416 30 20 DBED COCCNCC(=O)N1CCN(c2cc(C#N)ccn2)CC1 428777606 GFXUCKPKJAIOQD-UHFFFAOYSA-N 303.366 -0.162 30 20 DBED C#CCN1CCN(C(=O)CN2CCO[C@H](COC(C)C)C2)CC1 490985187 KEPFNGLJCRRPOO-INIZCTEOSA-N 323.437 -0.110 30 20 DBED C#CCNC(=O)C1CCN(CC(=O)NCCC(=O)OC)CC1 491201685 IRPCKNKOMMVVJI-UHFFFAOYSA-N 309.366 -0.873 30 20 DBED C#CCN1CCN(S(=O)(=O)N(CCOC)CCOC)CC1 491740550 FBDMTZUXAJCXDG-UHFFFAOYSA-N 319.427 -0.923 30 20 DBED N#C[C@@]1(NC(=O)CCn2nnc3ccccc3c2=O)CCOC1 547490399 LSKXRJLTDXSTJS-HNNXBMFYSA-N 313.317 -0.020 30 20 DBED C[C@H]1CCN(C(=O)NCCn2cnc(C#N)n2)C[C@@H]1C(=O)O 577488967 LALCJYJPZZVZHB-UWVGGRQHSA-N 306.326 -0.098 30 20 DBED N#C[C@@H](NC(=O)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1)C1CC1 578045500 RLPHDADDMGMFFT-FRRDWIJNSA-N 307.350 -0.189 30 20 DBED Cn1cc(N2C[C@@H](C(=O)N3CCOC[C@H]3C#N)CC2=O)cn1 599594188 LNNFZIVRJDVNOH-WDEREUQCSA-N 303.322 -0.476 30 20 DBED N#CCCN1CCN(C(=O)C(=O)NCCn2ccnc2)CC1 602226788 UEBCUXKEKLTWKW-UHFFFAOYSA-N 304.354 -0.943 30 20 DBED Cn1cc(I)c(C(=O)NCC#CCO)n1 603050422 XPYNNNAGXQXSKR-UHFFFAOYSA-N 319.102 -0.250 30 20 DBED COCCN1CCC[C@H](NS(=O)(=O)N(C)CCC#N)C1 609279195 QQBABJXHHGZHKT-LBPRGKRZSA-N 304.416 -0.223 30 20 DBED CNC(=O)CN1CCN(C(=O)Nc2nn(C)cc2C#N)CC1 610767417 JVNRFDXVKMVYSR-UHFFFAOYSA-N 305.342 -0.813 30 20 DBED C=C[C@@](C)(O)C(=O)N[C@@H]1CC(=O)N(CCN(C)CCOC)C1 622055810 WAJDEWUFRIJIQH-IUODEOHRSA-N 313.398 -0.781 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCC(=O)C2CCCC2)C1=O 628995139 RKSLWXHGIYQUBG-UHFFFAOYSA-N 321.333 -0.161 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(CC)[C@H](C)C2)C1=O 677176093 XTCKBQIAXXLXCI-LLVKDONJSA-N 322.365 -0.484 30 20 DBED C#CCOCCC(=O)Nc1cnn(CC(=O)NCCOC)c1 755930170 IZTDKMFECKWTCQ-UHFFFAOYSA-N 308.338 -0.376 30 20 DBED CC(=NNC(=S)NCCN1CCOCC1)c1ccnn1C 765994316 UAJKRDAJEZSIQA-UHFFFAOYSA-N 310.427 -0.060 30 20 DBED CS(=O)(=O)NCCC(=O)OCCNc1ncccc1C#N 771598076 VNOOOMSZJJKOST-UHFFFAOYSA-N 312.351 -0.152 30 20 DBED CCOC(=O)CON=C(C(=O)NCc1cnn[nH]1)c1cc[nH]n1 772349999 UQXUFMINHJOLAP-UHFFFAOYSA-N 321.297 -0.872 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)[C@H]1CCC[C@H](C(N)=O)C1 787825400 QBMYAWUBSPTOOG-UWVGGRQHSA-N 311.338 -0.167 30 20 DBED CC#CCS(=O)(=O)NC(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 791110959 IKYHNHRZFFTZBW-CABZTGNLSA-N 316.404 -0.090 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)NCCS(=O)(=O)CC 800044273 CJEHQZMALNLDLY-JTQLQIEISA-N 311.429 -0.263 30 20 DBED Cn1nnc2c(C(=O)OCCn3ncc(C#N)c3N)ccnc21 802076097 UGLZIANCXPPWQU-UHFFFAOYSA-N 312.293 -0.129 30 20 DBED CC(=NN[C@H](C)CO)c1ccc(S(=O)(=O)CC(N)=O)cc1 814865515 XJDYPUBMMCQDQV-SECBINFHSA-N 313.379 -0.360 30 20 DBED Cn1c(N2CCC3(CC2)OCCCO3)c(C#N)c(=O)n(C)c1=O 814921341 IGAKXOIHILKQEG-UHFFFAOYSA-N 320.349 -0.311 30 20 DBED COCc1nc2n(n1)C[C@H](NC(=O)[C@@](C)(C#N)CC(=O)O)CC2 820749203 JJBZSAQSMGGSPP-YMTOWFKASA-N 321.337 -0.140 30 20 DBED CC(C)[C@H](C#N)N1CCN(C(=O)Cn2cc(C(=O)O)nn2)CC1 826669258 DSYLHXYCCCALQK-LBPRGKRZSA-N 320.353 -0.331 30 20 DBED N[C@@H]1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 832240840 RKRLQVSEQBVSSE-SNVBAGLBSA-N 322.390 -0.325 30 20 DBED C=CCOc1cccnc1C(=O)NS(=O)(=O)CC(=O)OC 838802910 URMIUACOYLUBKF-UHFFFAOYSA-N 314.319 -0.121 30 20 DBED C#CCC[C@H](C)OC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 839033424 CZFVSAXMQKWGEE-JTQLQIEISA-N 318.333 -0.221 30 20 DBED C[C@@H](C#N)CN(C)C(=O)[C@H](CO)NC(=O)c1cccc(F)n1 845266244 AUFNWEABMDKCRH-ONGXEEELSA-N 308.313 -0.071 30 20 DBED C#CCNS(=O)(=O)N1CCN(c2ncncc2Cl)CC1 872633553 LQEYKUCGLOYWJM-UHFFFAOYSA-N 315.786 -0.280 30 20 DBED C=CCC[C@H](O)Cn1cc(CN2CCS(=O)(=O)CC2)nn1 881407587 QLDPQBOSFXIFGK-ZDUSSCGKSA-N 314.411 -0.164 30 20 DBED C#CC[C@H](CO)NS(=O)(=O)c1c(C)nn(COC)c1C 882341159 HAUPYCLCCNIVGA-LLVKDONJSA-N 301.368 -0.234 30 20 DBED C#CC1(O)CN(C(=O)[C@H](NS(=O)(=O)C2CC2)C(C)C)C1 890525959 MUENCTWXGBHHEG-LLVKDONJSA-N 300.380 -0.701 30 20 DBED C=CCCS(=O)(=O)NCCCn1c(=O)ccn(C)c1=O 918323525 VVDILBPJJNPATO-UHFFFAOYSA-N 301.368 -0.567 30 20 DBED C[C@@H](C#N)C(=O)N1CCCN(C(=O)c2cc(=O)n(C)o2)CC1 940868385 KJQLXNYVVOSNKL-JTQLQIEISA-N 306.322 -0.188 30 20 DBED C[C@H](C#N)C(=O)N1CCCN(C(=O)CN2C(=O)CCC2=O)CC1 941024119 LODMLFWPEMMYND-LLVKDONJSA-N 320.349 -0.644 30 20 DBED CCN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CCN(C(=O)C(N)=O)C1 942745297 URNFKYAAODEPIZ-JTQLQIEISA-N 303.322 -0.565 30 20 DBED C#CCCN1CC[C@H](NC(=O)CN2CCN(C)C(=O)C2)C[C@@H]1C 947463791 MDQCKMFGLPOUDU-GJZGRUSLSA-N 320.437 -0.247 30 20 DBED C#CCN1CCOC2(CCN(C(=O)c3c[nH]c(=O)cn3)CC2)C1 949451061 RRNXMGIHOFZVMH-UHFFFAOYSA-N 316.361 -0.290 30 20 DBED CCN(C(=O)c1cc(C#N)c[nH]1)C1CN(Cc2nnnn2C)C1 949854371 NOYMPOFWCNWNIQ-UHFFFAOYSA-N 314.353 -0.244 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H](NC(=O)CN2CCCNC2=O)C1 951868467 STTRGUAKLAKZNG-VXGBXAGGSA-N 321.381 -0.331 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@H]2CCOC2)C1 953853368 KNNDDWMZKNCTDG-ZFWWWQNUSA-N 319.405 -0.210 30 20 DBED C#Cc1cncc(C(=O)N2CC(N(C)C(=O)c3cnn(C)n3)C2)c1 954778623 HSHOMHVFEOFMKT-UHFFFAOYSA-N 324.344 -0.212 30 20 DBED COCCn1ncc(C(=O)NC[C@@H]2CN(CC#N)C[C@H]2O)c1C 958068158 FCIQTCKFGAAOKQ-TZMCWYRMSA-N 321.381 -0.616 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2ccn(CCOC)n2)C1 958254421 PCFSEKABRJVLQT-OCCSQVGLSA-N 306.366 -0.815 30 20 DBED C=CCN1CC[C@H](N2C[C@H]3[C@H](NC(=O)c4cc[nH]n4)[C@H]3C2)C1=O 958298119 PKTVJWAHXWPRHE-UZGDPCLZSA-N 315.377 -0.143 30 20 DBED C=CCN1CC[C@@H](N2C[C@H]3[C@H](NC(=O)c4cn[nH]c4)[C@H]3C2)C1=O 958311201 JYSASNMIBBBLKV-RQJABVFESA-N 315.377 -0.143 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](CNC(=O)c2c[nH]c(=O)cn2)C1 958355511 MDFCXDUXYXGPPF-YPMHNXCESA-N 306.366 -0.241 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2ccc(=O)n(CCC)n2)C1 958661410 JSMFALWFTDNJPG-TZMCWYRMSA-N 318.377 -0.691 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2CN(C(=O)C(N)=O)C[C@@H]2C)nc1 959574430 YRNNSZYFHKQEGA-CMPLNLGQSA-N 314.345 -0.628 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)C1=COCCO1 959970429 LCMQBBPYOSVIFW-GRYCIOLGSA-N 321.333 -0.528 30 20 DBED Cc1cccc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)n1 961612338 PWCBRBBXOOGSIZ-BIMULSAOSA-N 302.334 -0.149 30 20 DBED C#CCN1C[C@H]2[C@H](NC(=O)c3cn(C4CCOCC4)nn3)[C@H]2C1 962232076 QXANBDKUQZQALN-NHAGDIPZSA-N 315.377 -0.077 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC2(CN(C(=O)c3cnsn3)C2)C1 965474971 TXQYSUHEDHSAEV-VIFPVBQESA-N 321.362 -0.249 30 20 DBED C[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1NC(=O)c1nnn(C)n1 966408235 OEOGYIKOMGSHOI-ONGXEEELSA-N 302.338 -0.800 30 20 DBED Cn1nnc(CN[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)n1 968447949 SOLMYMQSLPNFNI-SNVBAGLBSA-N 300.326 -0.586 30 20 DBED C[C@@H]1CCN(CC#N)C[C@H]1NC(=O)c1nccnc1C(N)=O 968627936 QBQXWZSRFUAPTF-NXEZZACHSA-N 302.338 -0.461 30 20 DBED CC#CCN1CC[C@@H](C)[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C1 968681582 KDYUHMLOIPZIAR-NEPJUHHUSA-N 318.381 -0.773 30 20 DBED CC#CCN1CCO[C@@]2(CCN(C(=O)[C@]3(C)CNC(=O)C3)C2)C1 972480812 SVCVFHJEJFKHBP-IRXDYDNUSA-N 319.405 -0.161 30 20 DBED Cc1cc(CC(=O)N[C@H]2[C@@H]3CN(C(=O)[C@@H](C)C#N)C[C@@H]32)n[nH]1 976348436 NFVVNIQXFUGQAM-HDRXNWCYSA-N 301.350 -0.007 30 20 DBED CC#CCN1C[C@H]2[C@H](CNC(=O)[C@@H]3CN(C(C)=O)CCO3)[C@H]2C1 979010609 DHHXPCDNMJSXPJ-JONQDZQNSA-N 319.405 -0.449 30 20 DBED CC#CCN1C[C@H]2[C@H](CNC(=O)[C@@H]3CCCN3C(N)=O)[C@H]2C1 979118780 TVCSZFGHEAYEMZ-FQUUOJAGSA-N 304.394 -0.153 30 20 DBED C=C(C)CN[C@@H]1CCC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C1 981541374 KFRUICCVMQKPMM-VXGBXAGGSA-N 320.397 -0.030 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](CNC(=O)c2c[nH]c(=O)cn2)C1 983210184 BXTINHMCSJACDI-UWVGGRQHSA-N 303.322 -0.492 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)CC(N)=O)[C@@H]2C)cn1 989158459 AQRNMTBSRPYTII-MFKMUULPSA-N 314.345 -0.343 30 20 DBED CC(=O)N1CC[C@@H](C(=O)NCC2CN(C(=O)[C@H](C)C#N)C2)C1 1003641255 NZEBTUTZKQOMQR-ZWNOBZJWSA-N 306.366 -0.411 30 20 DBED C[C@H](NC(=O)c1c[nH]c(C#N)c1)C1CN(C(=O)CC(N)=O)C1 1005928347 XNWISYNYCMXIGA-QMMMGPOBSA-N 303.322 -0.662 30 20 DBED O=C(NCC1[C@H]2CN(C(=O)C#CC3CC3)C[C@H]12)c1cnon1 1009419801 YTBCYSUFCMNJJC-VXGBXAGGSA-N 300.318 -0.083 30 20 DBED C[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCCN1C(=O)C(N)=O 1014884301 NAGJUOUPGFHYRU-KCJUWKMLSA-N 303.322 -0.519 30 20 DBED C#CCCN1CCC2(CC1)C[C@H]2NC(=O)[C@@H]1CC(=O)NC(=O)N1 1016859644 MGSRLMDMJFTUKH-NWDGAFQWSA-N 318.377 -0.422 30 20 DBED CN1CC[C@@H](N[C@H]2C[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)C1=O 1021977173 OGEDKMMKUSACON-NTZNESFSSA-N 301.350 -0.033 30 20 DBED CC#CCN1CCC[C@@H](CNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 1023621008 DZSIZDLYKKAKGO-RYUDHWBXSA-N 306.366 -0.564 30 20 DBED C=CCN1[C@H]2CC[C@H]1CN(C(=O)CN1CC(=O)N(C)C1=O)C2 1029552179 UQSHLEDWWPZOJB-RYUDHWBXSA-N 306.366 -0.258 30 20 DBED N#Cc1ccccc1CN1CC(CNC(=O)[C@@H]2CNC(=O)N2)C1 1031939825 JIDSCVCDAPHRBB-AWEZNQCLSA-N 313.361 -0.212 30 20 DBED C#CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc2c(=O)[nH]c(C)cn2n1 1032542668 SHOWZBZWCYRTTO-RYUDHWBXSA-N 311.345 -0.137 30 20 DBED C=CCN1CC[C@@H](N2C[C@@H]3C[C@H]2CN3C(=O)c2nc[nH]n2)C1=O 1032690080 RYQNXBUYAICZLG-SDDRHHMPSA-N 316.365 -0.510 30 20 DBED C#CCN1CCO[C@H](CNC(=O)[C@H]2CCCN(C(N)=O)C2)C1 1035434975 KIPOTEKNUVVNFA-QWHCGFSZSA-N 308.382 -0.773 30 20 DBED CCc1c(C(=O)NC[C@@H]2CN(CC#N)CCO2)nnn1CC 1035509779 FDNSGLSTHCMJCQ-LLVKDONJSA-N 306.370 -0.185 30 20 DBED CN(C)CCn1cc(C(=O)NC[C@H]2CN(CC#N)CCO2)cn1 1035539989 STTFJAOTEZCDJT-AWEZNQCLSA-N 320.397 -0.601 30 20 DBED CCCn1nc(C(=O)N[C@H]2[C@H]3C[C@H]2N(CC#N)C3)ccc1=O 1037718141 QQYBWEMFGXWILP-SUHUHFCYSA-N 301.350 -0.021 30 20 DBED C#CCCCC(=O)NC[C@]1(O)CCN(C(=O)c2cnn[nH]2)C1 1039580514 VUUZRSMHKGCFQE-CQSZACIVSA-N 305.338 -0.699 30 20 DBED N#Cc1cnccc1N1CCO[C@@H]2CCN(C(=O)C(N)=O)C[C@@H]21 1040000567 JZPFTVMDYONBQX-QWHCGFSZSA-N 315.333 -0.755 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)CN(C)C2CCC2)C1 1040146571 GWRDDQFUIKIPHO-BLLLJJGKSA-N 322.409 -0.290 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)Cn2ccnc2)C1 1040771308 XQWFNPHRAOTWGO-FZMZJTMJSA-N 305.338 -0.878 30 20 DBED C=CCOCC(=O)N1CC[C@](O)(CNC(=O)CCN(C)C)C1 1040795207 IADHNBYVQVGWDH-HNNXBMFYSA-N 313.398 -0.780 30 20 DBED N#Cc1cncc(N2C[C@@H](O)[C@H](NC(=O)Cc3ccco3)C2)n1 1041137017 PXYZCPHHXSNPHH-CHWSQXEVSA-N 313.317 -0.150 30 20 DBED C=CCn1cc(C(=O)N2CC(O)(CNC(=O)[C@H]3C[C@@H]3C)C2)nn1 1041293352 ZKXLOECEHUIEQW-QWRGUYRKSA-N 319.365 -0.577 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)c2ccc[nH]2)C1 1041442504 HDKBXUZIGFOMBZ-UHFFFAOYSA-N 305.334 -0.642 30 20 DBED CC#CCN1CC[C@@]2(CCN(C(=O)[C@H]3CN(C)C(=O)N3)C2)C1 1041544495 OBGFYEUGOLELHH-CZUORRHYSA-N 304.394 -0.042 30 20 DBED C=CCCO[C@H](C)C(=O)N1CC(O)(CNC(=O)c2cc[nH]n2)C1 1041604614 UGKYBZMVLCKCQY-LLVKDONJSA-N 322.365 -0.306 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)c2ccc(=O)n(C)c2)C1 1041956422 KZVVDOCVDYNTFW-UHFFFAOYSA-N 319.361 -0.345 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)CO[C@H](C)CC)C1 1042040624 WMQWKMCCTWNHCI-GFCCVEGCSA-N 314.382 -0.306 30 20 DBED C=CCN1CC[C@@H](N2CC(N(C)C(=O)[C@@H]3CCOC3)C2)C1=O 1042523094 IYBBPTRBQFDWOI-TZMCWYRMSA-N 307.394 -0.048 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)C[C@@](C)(O)C=C)C1 1042811244 HLOLFHGXTZLSAB-HNNXBMFYSA-N 324.377 -0.957 30 20 DBED CO[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1NC(=O)c1nc[nH]n1 1042871799 UPCXJISUMIFGCV-NXEZZACHSA-N 314.309 -0.900 30 20 DBED O=C(C#CC1CC1)NCC1(O)CN(C(=O)Cc2cscn2)C1 1042963168 JJQXTGDBTLNKAU-UHFFFAOYSA-N 319.386 -0.212 30 20 DBED Cc1c[nH]c(C(=O)NCC2(O)CN(C(=O)CSCC#N)C2)n1 1043220448 LUIRIBLABMTBRM-UHFFFAOYSA-N 323.378 -0.722 30 20 DBED C[C@H](C(=O)NCC1(O)CN(C(=O)[C@H](C)C#N)C1)c1ccnn1C 1043252864 CDXZOKQVGUGBAW-MNOVXSKESA-N 319.365 -0.627 30 20 DBED CN1CCC[C@@H]1C(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1043874206 GRAUCYHBRFOLPA-UPJWGTAASA-N 316.365 -0.892 30 20 DBED N#Cc1cncc(N2C[C@H](O)[C@H](NC(=O)Cc3ccon3)C2)n1 1043884619 UTVYGPVITZCBMP-NEPJUHHUSA-N 314.305 -0.755 30 20 DBED CC(C)n1cc(C(=O)NCC2(O)CN(C(=O)[C@@H](C)C#N)C2)nn1 1045572917 ASPBGCBFBQCIIJ-JTQLQIEISA-N 320.353 -0.678 30 20 DBED C=CCN1CC[C@H](N2CCN(C(=O)[C@H]3CNC(=O)N3)CC2)C1 1046058967 WPGQOXDLXCYBIC-QWHCGFSZSA-N 307.398 -0.928 30 20 DBED C=CCn1cc(C(=O)N[C@]2(C)CCN([C@@H](C)C(N)=O)C2)nn1 1046681302 MTXBLCCMIKYXHZ-IINYFYTJSA-N 306.370 -0.468 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3nnnn3CC2)C1 1047536920 LVSZEVQOZHSTFE-AVGNSLFASA-N 320.397 -0.685 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCC)C1 1048070090 ABEXEJCEJFGOAF-KKUMJFAQSA-N 321.421 -0.086 30 20 DBED C[C@@H](c1nnnn1C)N1C[C@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2C1 1048727801 MUUFNKOHAJKWSW-KXNHARMFSA-N 303.370 -0.179 30 20 DBED CC(C)C#CC(=O)N(C)[C@H]1CN(C(=O)c2ccn(C)n2)C[C@@H]1O 1048813807 MHPSLJJICDASCN-KBPBESRZSA-N 318.377 -0.277 30 20 DBED C#CCN1C[C@H]2CN(C(=O)[C@@H]3CCCN(C(N)=O)C3)C[C@H]2C1 1048924597 HKRWULNQUGIVOB-MCIONIFRSA-N 304.394 -0.200 30 20 DBED CC#CCN1C[C@H]2CN(C(=O)c3cn(C)c(=O)n3C)C[C@H]2C1 1049242239 NMZIBDRGHFYDMQ-BETUJISGSA-N 302.378 -0.249 30 20 DBED C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1ncn(C)c1=O 1049561622 OBJGYCPMGIFUOD-CHWSQXEVSA-N 303.366 -0.720 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)CN1CCN(C)C(=O)C1)C2 1050577329 TZJZSUWGURKCFZ-UHFFFAOYSA-N 318.421 -0.682 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)c1ccn(CCOC)n1 1051020122 QHKPRNJDGAVTMP-ZDUSSCGKSA-N 306.366 -0.407 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2COCCN2CC(N)=O)cc1 1051059740 CRZXGYVEZBSQIF-CQSZACIVSA-N 301.346 -0.416 30 20 DBED Cn1cc([C@@H]2C[C@H]2C(=O)NC[C@@H]2COCCN2CC#N)cn1 1051126623 HDRDQXRDHUDQSX-HZSPNIEDSA-N 303.366 -0.136 30 20 DBED N#CCN1CCOC[C@@H]1CNC(=O)c1cc2ncccn2n1 1051179031 PVQBMRNKOJPIRF-NSHDSACASA-N 300.322 -0.317 30 20 DBED CC#CCN1CCOC[C@H]1CNC(=O)[C@H]1CCc2nn[nH]c2C1 1051210020 RHXKTZDQKWAHBC-QWHCGFSZSA-N 317.393 -0.250 30 20 DBED C=CCN1CCOC[C@H]1CNC(=O)[C@@H]1CCc2nncn2C1 1051255483 QLNFKENRDRAYAS-CHWSQXEVSA-N 305.382 -0.157 30 20 DBED CCn1nncc1CNC[C@@H]1CN(C(=O)[C@H](C)C#N)CCO1 1051495476 VEBMINJROAZEDX-DGCLKSJQSA-N 306.370 -0.225 30 20 DBED C#CCN1CCN([C@H]2CCN(C(=O)c3cncn3C)C2)CC1 1052047738 XZAWPAHGGFUGNA-AWEZNQCLSA-N 301.394 -0.115 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)[C@@H]1CCCO1 1056892977 OWHJGGUWTWOSEH-LBPRGKRZSA-N 300.355 -0.695 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)CCn1cccn1 1057013229 DHDCHICGTSJTCU-UHFFFAOYSA-N 320.393 -0.130 30 20 DBED N#CCSCC(=O)N(CCO)CCNC(=O)c1cn[nH]c1 1057026610 FNBGNOBCFCAJRB-UHFFFAOYSA-N 311.367 -0.783 30 20 DBED C=C[C@@](C)(O)CC(=O)N(CCO)CCNC(=O)CCOCC 1057449417 BSGYQGVVIQOXOC-OAHLLOKOSA-N 316.398 -0.323 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCCN(CCO)C(=O)c1ncc[nH]1 1057522235 SNHBLWOKGQAHJM-NEPJUHHUSA-N 322.365 -0.449 30 20 DBED CCO[C@@H](C(=O)N(CCO)CCNC(=O)[C@H](C)C#N)C1CC1 1057670146 QWUQBWBDMVCXRR-DGCLKSJQSA-N 311.382 -0.102 30 20 DBED O=C(C#CC1CC1)NCCN(CCO)C(=O)CCc1cn[nH]c1 1057705721 SNVDWSAQXUJVJQ-UHFFFAOYSA-N 318.377 -0.307 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)Cc1ccc[nH]1 1057792158 VWYVJILAQNAYMY-UHFFFAOYSA-N 309.366 -0.303 30 20 DBED C=C(C)CCC(=O)N(CCO)CCNC(=O)[C@H]1C[C@H]1C(N)=O 1057806371 AKWFORLIQXXRCT-NEPJUHHUSA-N 311.382 -0.599 30 20 DBED C=CCCC(=O)NCC[C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 1060258718 LSSKMNGVYIVJTL-VXGBXAGGSA-N 308.382 -0.011 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CC[C@H](NC(=O)[C@H]2CNC(=O)N2)CC1 1060800993 LXRBPVZCPUGHKV-DDHJBXDOSA-N 321.381 -0.381 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@H]1COCCN1C(=O)CCOC 1061543101 OYUAUOMJSYFIIW-SWLSCSKDSA-N 314.382 -0.306 30 20 DBED Cn1nnc(C(=O)NC2(CNC(=O)C#CC3CC3)CCC2)n1 1062979090 KHTFHYCGKYBGLN-UHFFFAOYSA-N 302.338 -0.608 30 20 DBED Cc1cc(C#N)nc(N[C@@H]2CCN(C(=O)C(N)=O)C[C@@H]2C)n1 1063790177 CBXHCOULMLWJGJ-GZMMTYOYSA-N 302.338 -0.209 30 20 DBED CO[C@H](C)C(=O)NC[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)CCO1 1065063608 JAYOXJGTMVYXJA-MFKMUULPSA-N 320.349 -0.122 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCO[C@@H](CNC(=O)CC)C1 1065292914 VNPMBEZUJRLBCZ-KBPBESRZSA-N 307.394 -0.162 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)[C@@H](C)CC(N)=O)CCO1 1065419530 BWFAEUVYUVURCD-NWDGAFQWSA-N 311.382 -0.192 30 20 DBED CN(C(=O)[C@H]1CCCO1)[C@H]1CN(c2nccnc2C#N)C[C@@H]1O 1065566529 PMPQOYHHOPUBLA-RWMBFGLXSA-N 317.349 -0.465 30 20 DBED C[C@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1N=c1cc[nH]c(C#N)n1 1067078046 RPFOSWYOOXZNRN-VHSXEESVSA-N 312.337 -0.529 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](CNC(=O)c3cc[nH]n3)C2)nn1 1067652773 YRQZPQUWVJIAOC-SKDRFNHKSA-N 313.321 -0.702 30 20 DBED C#CCNC(=O)CC(=O)N1CCOC2(C1)CN(C(=O)C(C)C)C2 1068383620 XYUQXXNRFKOBBS-UHFFFAOYSA-N 321.377 -0.778 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2cnn(C)c2C)C1 1069896752 FZRCBHVCSIHHOR-KGLIPLIRSA-N 313.365 -0.391 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2cnc(C)n2C)C[C@@H]1n1ccnn1 1070260271 AOEQKEFKMBGOGT-OCCSQVGLSA-N 313.365 -0.391 30 20 DBED N#CCSCC(=O)N[C@@H]1CCCN(C(=O)[C@H]2CCC(=O)N2)C1 1070548340 JVSXRUNKDFBCCL-GHMZBOCLSA-N 324.406 -0.371 30 20 DBED Cn1cnc([C@@H]2CN(C(=O)CN3CCCC3)C[C@H]2NCC#N)c1 1070565045 BQCSFHHBASCHIX-DZGCQCFKSA-N 316.409 -0.077 30 20 DBED C#CCN1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)C(N)=O)n1 1070597892 APGOXEYCDRZSOR-QWRGUYRKSA-N 305.338 -0.971 30 20 DBED C#CCOCCC(=O)N1CCC[C@@H](NC(=O)[C@H](C)NC(N)=O)C1 1070728606 YBGQIOYPCGTUKC-NWDGAFQWSA-N 324.381 -0.810 30 20 DBED C#CCCN1CCNC(=O)CCN(C(=O)c2cn[nH]c2)CC1 1070943355 LVFQKKKAQLWSRE-UHFFFAOYSA-N 303.366 -0.303 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)[C@H]2CO[C@@H](C)C2)CC1 1070976616 KENMHLLNBCPCQM-UONOGXRCSA-N 307.394 -0.305 30 20 DBED C=C[C@@](C)(CCOC)C(=O)N1CCC[C@@H](NC(=O)C(N)=O)C1 1071025295 ZLKGCJXLXIJKAR-ABAIWWIYSA-N 311.382 -0.192 30 20 DBED C=CCOCC(=O)N1C[C@@H](NC(=O)c2cnnc(O)c2)[C@H](C)C1 1071810586 BLUZHKYZNAEZGG-ZYHUDNBSSA-N 320.349 -0.039 30 20 DBED CC(=O)NCC(=O)N[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C 1071926168 TVYNCIBFELFBCA-RNCFNFMXSA-N 317.349 -0.401 30 20 DBED C#CCCCC(=O)N1C[C@H](C)[C@@H](NC(=O)CCn2cnnn2)C1 1071993071 XWNUQJBAJHWZQN-STQMWFEESA-N 318.381 -0.170 30 20 DBED C=CCOCC(=O)N[C@H]1CN(C(=O)c2cnc(O)n2C)C[C@H]1C 1072502470 ZPTCBSWRSDGCHR-MNOVXSKESA-N 322.365 -0.095 30 20 DBED CC#CCCCC(=O)N1C[C@H](C)[C@H](NC(=O)Cn2ncnn2)C1 1072561184 OLIDDQHJUWNBMS-QWHCGFSZSA-N 318.381 -0.170 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CN(C(=O)CCN(C)C)C[C@@H]1C 1072671930 OICPBSAZDMSKQQ-STQMWFEESA-N 322.409 -0.959 30 20 DBED C#CCCCC(=O)N[C@@H]1CCN(C(=O)Cn2ncnn2)C[C@H]1C 1073915467 AYYSHMRUVWRTAR-CHWSQXEVSA-N 318.381 -0.170 30 20 DBED C=CCN1CCO[C@@H]2CCN(C(=O)c3cn(C)c(=O)cn3)C[C@@H]21 1074302216 NAMDMBVWGMVGFI-UONOGXRCSA-N 318.377 -0.118 30 20 DBED C=CCCC(=O)N1CCC(O)(CNC(=O)CNC(N)=O)CC1 1074511533 MDMOHRWAYGUABK-UHFFFAOYSA-N 312.370 -0.909 30 20 DBED CCS(=O)(=O)NCC(=O)NCC[C@H](C)NC(=O)[C@@H](C)C#N 1076886490 NEJSHHLBHSKFJL-UWVGGRQHSA-N 318.399 -0.904 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3ncncc3C2)C1 1077119828 YYTNJAQXQZCKGG-KCPJHIHWSA-N 300.362 -0.624 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)Cc2cn3cccc(C)c3n2)C1 1077838222 RPBIXPOHBAJKAA-HUUCEWRRSA-N 312.373 -0.020 30 20 DBED C=C[C@](C)(O)CC(=O)N(CC)C1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 1079689433 DBQNGLQACSWBSY-WQGACYEGSA-N 323.393 -0.506 30 20 DBED CCN(C(=O)[C@@H]1CCC(=O)N1)C1CN(C(=O)CSCC#N)C1 1080183617 ATJOQEBJAGUHNO-NSHDSACASA-N 324.406 -0.419 30 20 DBED C#CCCCCC(=O)N1CCC(CO)(NC(=O)CC(N)=O)CC1 1080785644 DDFZMRHQGROVQK-UHFFFAOYSA-N 323.393 -0.475 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)CCCC(N)=O)C1 1081578287 YVYBNOKMEFKTBG-VXGBXAGGSA-N 311.382 -0.456 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1cnc2nccn2c1 1081945081 WIOQZMGNOCRBGA-VXGBXAGGSA-N 300.322 -0.318 30 20 DBED C#CCN1C[C@@H](NC(=O)c2cc(C)c(C(N)=O)cn2)[C@H](OC)C1 1082152687 ZSXPUZPXBUGSPI-ZIAGYGMSSA-N 316.361 -0.449 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)Cn2nnc(-c3ccco3)n2)C1 1083592790 QTANNLCNUOJCIY-MNOVXSKESA-N 318.337 -0.720 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2ccn(-c3ccncc3)n2)C1 1083630838 PLROFDWBGOWWMQ-KGLIPLIRSA-N 312.333 -0.434 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)C1 1084045755 BJJPWSDVSAKVBS-YUTCNCBUSA-N 320.393 -0.538 30 20 DBED CN(C[C@@H]1CCN1Cc1nnn(C)n1)C(=O)c1c[nH]c(C#N)c1 1085556345 OGGJFCCRDRVFSX-LBPRGKRZSA-N 314.353 -0.244 30 20 DBED Cn1cnc2cc(C(=O)N[C@@H]3CCN(CC#N)C[C@@H]3O)cnc21 1090477356 VKEYRPPXUFQGCX-YPMHNXCESA-N 314.349 -0.343 30 20 DBED COCC1(C(=O)N[C@@H]2CN(c3cncc(C#N)n3)C[C@H]2O)CC1 1090506921 PDGSQVUUUPIDSQ-VXGBXAGGSA-N 317.349 -0.559 30 20 DBED CCC[C@H](OC)C(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1O 1090510898 GSPDSAGBLVMQMK-UPJWGTAASA-N 319.365 -0.171 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cn(CCC=C)nn2)[C@@H](O)C1 1090637840 LUGVEBPTCMMJHD-JSGCOSHPSA-N 303.366 -0.348 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)CN2CCC(=O)NC2=O)[C@@H](O)C1 1090709770 QKPWFNISUOHWOS-RYUDHWBXSA-N 324.381 -0.944 30 20 DBED COC[C@@H](C)C(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1OC 1090868068 JFINDRGRKRUSKH-RAIGVLPGSA-N 319.365 -0.049 30 20 DBED Cc1cc(C#N)nc(N2CC[C@H](NC(=O)CNC(N)=O)[C@H]2C)n1 1091922548 IWYCIJAYYSDVJX-KOLCDFICSA-N 317.353 -0.592 30 20 DBED C[C@@H]1[C@@H](NC(=O)CC(=O)N(C)C)CCN1c1ccc(C#N)nn1 1092059454 YYUNFXNLUWSUCB-PWSUYJOCSA-N 316.365 -0.090 30 20 DBED CN(C)CCOCC(=O)N1CCN(c2cnc(C#N)cn2)CC1 1093166264 LKQIJMMSDRNHAF-UHFFFAOYSA-N 318.381 -0.425 30 20 DBED CC(=O)N[C@@H](CC(C)C)C(=O)NCCN=c1cc[nH]c(C#N)n1 1093765863 DMZXASJNKUGIIG-LBPRGKRZSA-N 318.381 -0.151 30 20 DBED C[C@H](Cc1cnn(C)c1)C(=O)NCCN=c1cc[nH]c(C#N)n1 1093817963 QGZQBNONVVVOLB-LLVKDONJSA-N 313.365 -0.089 30 20 DBED CC(C)N1C[C@@H](C(=O)NCCN=c2cc[nH]c(C#N)n2)CC1=O 1094192999 GGMXNKQHJOSWGU-NSHDSACASA-N 316.365 -0.445 30 20 DBED Cc1cc(=NCCCNC(=O)CCNC(N)=O)c(C#N)c[nH]1 1094427019 VGJFPTUODGLZIN-UHFFFAOYSA-N 304.354 -0.340 30 20 DBED N#Cc1c[nH]ccc1=NCCCNC(=O)C1CS(=O)(=O)C1 1094610988 QIXVPGFOLOIJDC-UHFFFAOYSA-N 308.363 -0.662 30 20 DBED N#Cc1cncc(NCCCNC(=O)[C@H]2CC[C@@H]2C(N)=O)n1 1094703037 HZWPQGURLWPYTB-QWRGUYRKSA-N 302.338 -0.222 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)Cc3cnc[nH]3)CC2=O)C1 1094793275 PEHLWQURYPMBKH-GFCCVEGCSA-N 303.366 -0.461 30 20 DBED CC#CCN1CC(N2C[C@@H](NC(=O)c3cnon3)CC2=O)C1 1094799928 UJKAFOMACOWLHE-JTQLQIEISA-N 303.322 -0.892 30 20 DBED C[C@H](CC(N)=O)C(=O)N1CC[C@H](N(C)c2cncc(C#N)n2)C1 1095151600 MATUPVFBFAIOSN-PWSUYJOCSA-N 316.365 -0.103 30 20 DBED C[C@H](CC(N)=O)C(=O)N[C@@H]1CCN(c2ccnc(C#N)n2)C1 1096457523 KGTHLEMUOTYSKO-NXEZZACHSA-N 302.338 -0.445 30 20 DBED N#Cc1nc(=N[C@H]2CCN(C(=O)CCCC(N)=O)C2)cc[nH]1 1096943597 CQCIYKIPGRLYRK-JTQLQIEISA-N 302.338 -0.561 30 20 DBED C[C@H](CNC(=O)[C@H]1CCS(=O)(=O)C1)N=c1cc[nH]c(C#N)n1 1098137178 WEADXXAEAPYNHQ-ZJUUUORDSA-N 323.378 -0.879 30 20 DBED C#CCN(CCO)C1CCN(C(=O)[C@H]2C[C@@H](C)CC(=O)N2)CC1 1098371101 HWYLSOWGJREMEH-UKRRQHHQSA-N 321.421 -0.180 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2cnc(C)cn2)[C@H](O)C1 1099629967 KEWRWDAKGDGJAJ-UKRRQHHQSA-N 318.377 -0.400 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)c2cccnc2)[C@@H](O)C1 1099636088 KFELWYSNSMFMKF-KGLIPLIRSA-N 318.377 -0.451 30 20 DBED COCC#CCN1CC[C@H](NC(=O)CSCC#N)[C@@H](O)C1 1099693390 QZZHABCMAKAVDW-STQMWFEESA-N 311.407 -0.556 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)c2cocn2)[C@H](O)C1 1099739226 YWYRTSPNSNOCMK-CMPLNLGQSA-N 308.338 -0.858 30 20 DBED C=CCCN1CC[C@@H](NC(=O)CNC(=O)N2CCCC2)[C@H](O)C1 1099833227 SPZCATHBBMUCTM-ZIAGYGMSSA-N 324.425 -0.081 30 20 DBED C=CCCCN1CC[C@@H](NC(=O)C2CS(=O)(=O)C2)[C@H](O)C1 1099840559 DNMZMSNWMYBWDG-CHWSQXEVSA-N 316.423 -0.451 30 20 DBED C=CCN1CC[C@@H](NC(=O)CCn2ccccc2=O)[C@@H](O)C1 1099858919 TYCSBDHATRLXCJ-KGLIPLIRSA-N 305.378 -0.024 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)CCNS(C)(=O)=O)[C@@H](O)C1 1099860950 KJWMBRCFNFZRFX-RYUDHWBXSA-N 319.427 -0.947 30 20 DBED CN(CCNC(=O)CN1CCOCC1)c1ccc(C#N)nn1 1100065767 RHTOZJGHVZIYDD-UHFFFAOYSA-N 304.354 -0.767 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H]1CCCN1c1nccnc1F 1100832046 PWADKCVYZVYBOW-LLVKDONJSA-N 319.340 -0.160 30 20 DBED N#Cc1ccc(N2CC[C@@H](CNC(=O)CCNC(N)=O)C2)nc1 1100980589 YIFDLUGQOLTWKP-LBPRGKRZSA-N 316.365 -0.046 30 20 DBED C#CCNC(=O)[C@H](C)NC1CC(CNC(=O)c2ccn(C)n2)C1 1100982624 ZTMJTDYHVDPDGC-HIFPTAJRSA-N 317.393 -0.344 30 20 DBED CCCN(CCNC(=O)Cn1cnnn1)c1cncc(C#N)n1 1101084645 FSIRDZDXDDGLKJ-UHFFFAOYSA-N 315.341 -0.632 30 20 DBED N#Cc1ccc(N(CCNC(=O)CNC(N)=O)C2CC2)cn1 1101280034 JCJHUNZYXQJVGY-UHFFFAOYSA-N 302.338 -0.293 30 20 DBED C[C@@H](C(=O)N(C)CCNc1ccc(C#N)nn1)N1CCOCC1 1101681751 ZBVKEYHBPWJYNW-LBPRGKRZSA-N 318.381 -0.061 30 20 DBED Cc1ncc(C(=O)NC[C@@H]2CN(CC(=O)NCC#N)C[C@H]2C)[nH]1 1101821212 UDBFKRSVZLAVFN-ZYHUDNBSSA-N 318.381 -0.344 30 20 DBED C#CCCN1C[C@@H](C)[C@H](CNC(=O)Cn2cnc(C(N)=O)n2)C1 1101984930 SHHXXVWCYXLEFM-VXGBXAGGSA-N 318.381 -0.916 30 20 DBED C#CCN1C[C@@H](C)[C@H](CNC(=O)COCc2ncnn2C)C1 1102492009 TZJADBBVWWXEFH-CHWSQXEVSA-N 305.382 -0.351 30 20 DBED CC#CCN1C[C@@H](C)[C@H](CNC(=O)CN2C(=O)CN(C)C2=O)C1 1102555770 VFPZSVJWPAWVDM-CHWSQXEVSA-N 320.393 -0.412 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)C(=O)NCC1CC1 1104663595 PUEDWOIUDNCPOJ-SNVBAGLBSA-N 316.365 -0.445 30 20 DBED CC(C)[C@H](CNC(=O)[C@H]1CNC(=O)N1)N=c1cc[nH]c(C#N)n1 1105278060 UFJNFLDSHUVVMB-VHSXEESVSA-N 317.353 -0.996 30 20 DBED N#CCNCc1cn(C2CN(C(=O)[C@]3(F)CCOC3)C2)nn1 1105312298 JJSLSXYNGOKMSW-ZDUSSCGKSA-N 308.317 -0.597 30 20 DBED Cn1nccc1C(=O)NC[C@@H](O)CNc1cncc(C#N)n1 1105779668 HJHZQGILZQYYTN-JTQLQIEISA-N 301.310 -0.715 30 20 DBED CN1CCOC[C@H]1C(=O)NC[C@@H](O)CNc1ccc(C#N)cn1 1105828308 DPDRFFUAZMDUIU-STQMWFEESA-N 319.365 -0.827 30 20 DBED CC(C)N(C)CC(=O)NC[C@H](O)CNc1nccnc1C#N 1105868572 BXHCIGKWJCQJEM-NSHDSACASA-N 306.370 -0.423 30 20 DBED C=CCCOCC(=O)NC[C@@H](O)CNc1cc(C)nc(CO)n1 1105889635 GQOGKMMUMQBOGN-LBPRGKRZSA-N 324.381 -0.241 30 20 DBED CC(C)[C@H](C(=O)NC[C@@H](O)CNc1cncc(C#N)n1)N(C)C 1105917674 MVYGXIJRNBGHEI-GXTWGEPZSA-N 320.397 -0.177 30 20 DBED COCCO[C@H](C)C(=O)NC[C@@H](O)CNc1ccc(C#N)nc1 1105963687 UHPMHZLZQOAAQA-RISCZKNCSA-N 322.365 -0.106 30 20 DBED C=CC(C)(C)C(=O)NC[C@H](O)CNc1nccn2nnnc12 1106051766 MENOZUNPQLRTNX-SECBINFHSA-N 305.342 -0.380 30 20 DBED CN1CCCC[C@@H]1C(=O)NC[C@H](O)CNc1cncc(C#N)n1 1106165472 OBNJBOZOWAMMOF-CHWSQXEVSA-N 318.381 -0.278 30 20 DBED C=CCN1CC(n2cc(CNC(=O)[C@@H](C)NC(C)=O)nn2)C1 1107119947 PMOWCBSTGGNJTF-SNVBAGLBSA-N 306.370 -0.538 30 20 DBED N#Cc1nccnc1NC/C=C/CNC(=O)[C@H]1CCNC(=O)C1 1107121859 FTBFRMNKCXCMFA-GXFZAYBSSA-N 314.349 -0.041 30 20 DBED Cn1cc(CC(=O)NCc2cn(C3CN(CC#N)C3)nn2)cn1 1107142768 OTDDXEZMPSTWKL-UHFFFAOYSA-N 314.353 -0.749 30 20 DBED N#Cc1c[nH]ccc1=NC/C=C\CNC(=O)c1c[nH]c(=O)cn1 1107490384 FXYWMXLVANDEFI-UPHRSURJSA-N 310.317 -0.143 30 20 DBED N#Cc1ccc(NC/C=C/CNC(=O)[C@H]2CCC(=O)NC2)nn1 1107592274 BADGXGDFRGKFNZ-GXFZAYBSSA-N 314.349 -0.041 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)COC[C@@H]1CCCO1 1107826311 ASJREXCALVPWIX-NEPJUHHUSA-N 319.365 -0.118 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)c2ccnc(OC)n2)C1 1108065414 UDADELXOKJRHMZ-HNNXBMFYSA-N 304.350 -0.061 30 20 DBED COCC#CCN1CCO[C@@](C)(CNC(=O)c2ccnnc2)C1 1108238370 ONSJAMZJEJDSED-INIZCTEOSA-N 318.377 -0.053 30 20 DBED Cn1cc(CCC(=O)NC[C@@]2(C)CN(CC#N)CCO2)nn1 1108443366 LLVJWUQGLQNDGA-AWEZNQCLSA-N 306.370 -0.522 30 20 DBED C=C(C)C[C@H](C)C(=O)N[C@@H]1CC(=O)N(C2CN(CCO)C2)C1 1108567117 VYHREAUZTJMKGZ-QWHCGFSZSA-N 309.410 -0.018 30 20 DBED CCc1nc(C#N)cc(N(C)C[C@H](C)NC(=O)CNC(N)=O)n1 1108816305 NCTVVMBQCBLRRI-VIFPVBQESA-N 319.369 -0.480 30 20 DBED C[C@@H](CN(C)c1cncc(C#N)n1)NC(=O)CCn1cnnn1 1109053703 NDQMMDMUKGGWGU-JTQLQIEISA-N 315.341 -0.634 30 20 DBED C=CCNC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CC(N)=O 1109111591 HGNWWHSELIWKQG-USZNOCQGSA-N 308.382 -0.726 30 20 DBED C=CCNC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CC(N)=O 1110418127 HGNWWHSELIWKQG-QCNOEVLYSA-N 308.382 -0.726 30 20 DBED C#CCN(C(=O)C(N)=O)C1CCN(c2cnc(C#N)cn2)CC1 1110629006 YDQZXGIRTAUJMZ-UHFFFAOYSA-N 312.333 -0.736 30 20 DBED COCCC(=O)N(C)[C@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1111167509 FIKWGHBDGHSYOG-RYUDHWBXSA-N 305.338 -0.607 30 20 DBED CC(=O)NCC(=O)N1C[C@@H]2CN(c3cnc(C#N)cn3)C[C@@H]2C1 1111286406 KRSYYXWEFZXGOG-TXEJJXNPSA-N 314.349 -0.621 30 20 DBED CC#CCNC[C@]12CCC[C@H]1CN(C(=O)Cn1ncnn1)C2 1112355942 ZGBILKVAHARRJY-ZFWWWQNUSA-N 302.382 -0.085 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(c2cnc(F)cn2)C[C@H]1O 1112702321 QFKKESLJECCLBP-GHMZBOCLSA-N 310.329 -0.268 30 20 DBED COCCCC(=O)NC[C@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1112705879 YUYWQZALJMALDE-AAEUAGOBSA-N 319.365 -0.312 30 20 DBED COc1ccnc(N2C[C@H](O)[C@H](CNC(=O)C#CC3CC3)C2)n1 1112721371 YGSKJAOWKBMGLV-OLZOCXBDSA-N 316.361 -0.188 30 20 DBED Cc1ccc(CC(=O)N2CCN(CC(=O)NCC#N)CC2)o1 1112769999 VPLBAEUPJFPFJS-UHFFFAOYSA-N 304.350 -0.086 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCN(Cc2cn(CC)nn2)CC1 1112846592 SRMGBAJFVRLMFC-ZDUSSCGKSA-N 305.382 -0.020 30 20 DBED C[C@H](NC(=O)C(=O)NCC1CC1)[C@@H](C)N=c1cc[nH]c(C#N)n1 1113132701 JPQKPGGGTDMHKH-ZJUUUORDSA-N 316.365 -0.399 30 20 DBED C[C@H](NC(=O)Cc1nc[nH]n1)[C@@H](C)N=c1cc[nH]c(C#N)n1 1113150648 PBDKCLQVHDXLJH-BDAKNGLRSA-N 300.326 -0.564 30 20 DBED COCC#CCN1CCN(C(=O)[C@@]2(COC)CCOC2)CC1 1113161974 QDOOWJBBJVQFLI-MRXNPFEDSA-N 310.394 -0.167 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)[C@@H](C)CCOC)CC1 1113653055 RIQIFLBEVISCDY-KBPBESRZSA-N 309.410 -0.059 30 20 DBED C[C@H](CNC(=O)C1CS(=O)(=O)C1)N(C)c1ccncc1C#N 1113734122 XJESSAUXMQIFTR-SNVBAGLBSA-N 322.390 -0.061 30 20 DBED C[C@@H](CNC(=O)[C@H]1CN(C)C(=O)N1)N(C)c1cnc(C#N)cn1 1113802214 JVWWPLGCCASIAW-GXSJLCMTSA-N 317.353 -0.687 30 20 DBED Cc1cc(C#N)nc(N(C)[C@H](C)CNC(=O)[C@H]2C[C@H]2C(N)=O)n1 1113882334 UJAZZNCMSAALJY-JLLWLGSASA-N 316.365 -0.281 30 20 DBED CCCNC(=O)CN1C[C@H]2C(NC(=O)CSCC#N)[C@@H]2C1 1113890695 FJMZFZUFCPRVEW-GHMZBOCLSA-N 310.423 -0.184 30 20 DBED C#CCO[C@H](C)C(=O)NC1[C@H]2CN(CC(=O)NC3CC3)C[C@H]12 1114271275 RVMQXSPMUWNUOI-WXHSDQCUSA-N 305.378 -0.650 30 20 DBED C=C(C)CCC(=O)NC1[C@H]2CN(CCN3C(=O)CNC3=O)C[C@H]12 1114352820 HYKQTYSCBREJBH-RYUDHWBXSA-N 320.393 -0.059 30 20 DBED COCC#CCN1C[C@@H]2C(NC(=O)[C@H]3CC[C@@H](C(N)=O)C3)[C@H]2C1 1114835845 RMJXEUVDVCGUIG-RFGFWPKPSA-N 319.405 -0.416 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)C[C@@H]3CCN(C)C3)[C@@H]2C1 1115119413 WXOAFSBFJGDDPY-BFHYXJOUSA-N 318.421 -0.876 30 20 DBED C#CCNC1(CNC(=O)Cn2cnc(C(N)=O)n2)CCCCC1 1115544890 GTCPPKMZFZNROK-UHFFFAOYSA-N 318.381 -0.581 30 20 DBED C#CCC[C@H](O)CNC(=O)C(=O)Nc1ccn(CCN(C)C)n1 1116921459 BBELKVIAVSLDJQ-LBPRGKRZSA-N 321.381 -0.726 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@@H]([C@@H]2CCCN2CCO)C1 1120372977 KTUMJTOABIAQLF-CABCVRRESA-N 321.421 -0.179 30 20 DBED C#CCO[C@@H](C)C(=O)NC1CC2(C1)CC(N[C@H]1CCNC1=O)C2 1121103103 SBPOFSALLLSFQO-LRYDMPLDSA-N 319.405 -0.070 30 20 DBED N#Cc1nc(=N[C@H](CO)CNC(=O)c2ccc(F)nc2)cc[nH]1 1121204698 ITEZCJOTPAIKII-JTQLQIEISA-N 316.296 -0.493 30 20 DBED N#Cc1nc(=N[C@H](CO)CNC(=O)C2=CCOCC2)cc[nH]1 1121339371 JSDGENMSXZWKHV-NSHDSACASA-N 303.322 -0.994 30 20 DBED CCn1cnc(C(=O)NC[C@@H](CO)Nc2nccnc2C#N)c1 1121855540 XKPRMVGJFJEAHZ-JTQLQIEISA-N 315.337 -0.233 30 20 DBED COCCO[C@@H](C)C(=O)NC[C@H](CO)Nc1cncc(C#N)n1 1122012134 GUOUXRLDFCZJSD-CMPLNLGQSA-N 323.353 -0.711 30 20 DBED N#Cc1cnc(N[C@@H](CO)CNC(=O)[C@@]23COC[C@@H]2C3)cn1 1122761127 OIFCMCJBLMDJEK-PXWWUCIGSA-N 303.322 -0.726 30 20 DBED CN(C[C@@H](O)CNc1ccc(C#N)nn1)C(=O)[C@@H]1CCCN1C 1124208502 XDLICZIZHHCMBU-STQMWFEESA-N 318.381 -0.326 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)Cc1ccoc1 1124255973 BQWKBRNEVURRQL-GFCCVEGCSA-N 315.333 -0.163 30 20 DBED CN(C[C@H](O)CNc1nccnc1C#N)C(=O)CC1(O)CCC1 1124279198 WKBCFMJBFOXGGZ-LLVKDONJSA-N 319.365 -0.115 30 20 DBED C=CCOCCCC(=O)NCCNCCNS(C)(=O)=O 1125256125 QCJBMVXWBAOZHX-UHFFFAOYSA-N 307.416 -0.776 30 20 DBED CC(C)(C)C#CC(=O)NCCNCCCN1C(=O)CNC1=O 1126915794 ISEBMLHXSZJOEM-UHFFFAOYSA-N 308.382 -0.316 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CC(=O)N(C(C)C)C1 1128644661 URKNTFFBLPUZJB-CHWSQXEVSA-N 322.409 -0.913 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)c1ccn(CCOC)n1 1131159522 CVPCENHGZYPKQQ-LBPRGKRZSA-N 323.397 -0.460 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1cc(O)nc(CC)c1 1131419400 DDBKINCRMCGORT-NSHDSACASA-N 318.377 -0.193 30 20 DBED C[C@H]1CN(C(=O)CC(=O)N(C)C)C[C@]2(CCN(CC#N)C2)O1 1131692370 GVOPVTDSZCRUCA-SWLSCSKDSA-N 308.382 -0.320 30 20 DBED C=CCN1CCN([C@@H]2CCCN(C(=O)CNC(C)=O)C2)C(=O)C1 1131703763 JDALPEORXLYYMJ-CQSZACIVSA-N 322.409 -0.556 30 20 DBED C=C(C)CN(CC)C(=O)CNCCNC(=O)[C@@H]1CC[C@@H]1C(N)=O 1132339054 YYHBZIBPDDQYRO-QWHCGFSZSA-N 324.425 -0.372 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)CCc2cnn[nH]2)C1=O 1134016833 UHHWQAUMLMSWCF-GFCCVEGCSA-N 306.370 -0.770 30 20 DBED N#CCNC(=O)CNCCNC(=O)C1Cc2ccccc2C1 1134270022 TVACKTFPQDDCIB-UHFFFAOYSA-N 300.362 -0.253 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)c1cnc(C)n1C 1135282283 OLVUFTHOQJABTE-VXGBXAGGSA-N 319.409 -0.036 30 20 DBED COCC#CCN[C@H](C)C[C@H](C)NC(=O)c1c[nH]c(=O)cn1 1135325202 JZLMATKRZLEACR-NEPJUHHUSA-N 306.366 -0.094 30 20 DBED C[C@H](O)CN1CCCO[C@H](CNC(=O)CSCC#N)C1 1149207339 LSZZQWZAFQLPBT-NWDGAFQWSA-N 301.412 -0.169 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)C1CCN(C(C)=O)CC1 1150533453 UJGRJYNQNQKIGI-LBPRGKRZSA-N 324.425 -0.359 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)Cn2nc(C)ccc2=O)C1 1150620938 ZSVOROAZGDZLKV-AWEZNQCLSA-N 318.377 -0.608 30 20 DBED C#CCCN1CCCO[C@@H](CNC(=O)C(C)(C)NC(=O)NC)C1 1150776892 BDZMEWDGGQASHK-ZDUSSCGKSA-N 324.425 -0.076 30 20 DBED CNC(=O)NC(=O)[C@@H](C)NCCCNC(=O)CSCC#N 1154818922 AZXNPZVXDVXCGF-SECBINFHSA-N 315.399 -0.817 30 20 DBED C#CCCN1CC=C(CCNC(=O)CN2C(=O)CNC2=O)CC1 1161839179 FEHLUFCNECEYOP-UHFFFAOYSA-N 318.377 -0.300 30 20 DBED C#CCN1CCC(CNC(=O)[C@@H]2CNC(=O)N2)(COC)CC1 1162440811 AUEAVVOGFZKTPW-LBPRGKRZSA-N 308.382 -0.854 30 20 DBED Cc1cc(C)n(CCC(=O)NCCCNCC(=O)NCC#N)n1 1163583179 OLWTYWQAFIWYSI-UHFFFAOYSA-N 320.397 -0.374 30 20 DBED C#CCNC(=O)CNCC1(CCNC(=O)c2cnco2)CC1 1166442451 AVBRONNVFYVKHG-UHFFFAOYSA-N 304.350 -0.086 30 20 DBED C#CCNC(=O)CNCCCC[C@@H](C)NC(=O)c1cnnn1C 1170523605 SIZKTRNLYRIKFS-GFCCVEGCSA-N 320.397 -0.557 30 20 DBED C#CCOCCC(=O)N1CC[C@H]2OCCN(CCCO)[C@H]2C1 1177011351 BIUKIVPKPCIETJ-LSDHHAIUSA-N 310.394 -0.290 30 20 DBED C#CCNC[C@H]1C[C@H]2CC[C@H]1N(C(=O)C1CS(=O)(=O)C1)C2 1177761343 AVZQDYNYJNUGPI-YRGRVCCFSA-N 310.419 -0.119 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CCCN2C)[C@H]1C 1178357373 ZKVFINRDBVVFEW-IHRRRGAJSA-N 306.410 -0.591 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)Cc2cc(C)[nH]n2)[C@H]1C 1178456371 VVWBIMFZLKZYEF-JSGCOSHPSA-N 317.393 -0.411 30 20 DBED C[C@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)[C@@H]1CCCCO1 1178468227 YADJHTFVIIBSOC-AVGNSLFASA-N 308.382 -0.226 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)c2[nH]nnc2C)[C@H]1C 1179284815 BRXJTNNRQJYZBI-WOPDTQHZSA-N 318.381 -0.556 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)C2=COCCO2)C1 1180780908 XADYPOQPVKZPHH-NWDGAFQWSA-N 309.366 -0.244 30 20 DBED C=CCOCC(=O)N1CC[C@@H](NCCCN2C(=O)CNC2=O)C1 1181618100 LKAJWEDMHZGZAD-GFCCVEGCSA-N 324.381 -0.679 30 20 DBED CNC(=O)CC(=O)N1CCC[C@H](n2cc(CNCC#N)nn2)C1 1185924368 CPVOWDZYPDDQIK-LBPRGKRZSA-N 319.369 -0.809 30 20 DBED C=CCOCCN[C@@H]1CCN(C(=O)C[C@H]2CC(=O)NC2=O)C1 1188495065 GGZWUPIKBPTGNN-VXGBXAGGSA-N 309.366 -0.568 30 20 DBED CCC[C@H](C(=O)N1CC[C@H]2CN(CC#N)C[C@H]21)S(N)(=O)=O 1188663881 DUVRAVKFPQVNPA-QJPTWQEYSA-N 314.411 -0.500 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2cnc(C)cn2)C1 1188708810 IWRTUCAVRZXJJM-CYBMUJFWSA-N 315.377 -0.319 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(Cc2cn(C)nc2C)C[C@H]1O 1192530553 NXEKUSRRDVWVAL-FMKPAKJESA-N 322.409 -0.283 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@@H]1CCN(C(=O)c2cccnn2)C1 1193009162 UYQURQOTYRBPKL-CHWSQXEVSA-N 315.377 -0.239 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)C23CCN(CC2)C3)C1 1193469491 RGBRNRRTGXKFRL-CQSZACIVSA-N 320.437 -0.083 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCCN(C(=O)C2(C(N)=O)CC2)CC1 1196977298 LWQYGECFFLNPPH-GFCCVEGCSA-N 322.409 -0.523 30 20 DBED C[C@]1(C(=O)N2CCCN(CC(=O)NCC#N)CC2)CCCOC1 1197569116 YJANFINEXVCBPZ-INIZCTEOSA-N 322.409 -0.023 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)c2cnn(CC)c2)CC1 1199877902 LWAVQYGHFUATQM-UHFFFAOYSA-N 317.393 -0.153 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 1201053475 PZHUVTQQBWRZNU-INIZCTEOSA-N 320.437 -0.343 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2ncnn2C)C[C@H]1C 1206959798 FAFHOXDCEBQZOI-CHWSQXEVSA-N 305.382 -0.209 30 20 DBED C=CCOCC(=O)N1CCC[C@H](N[C@H](C)C(=O)NC(N)=O)C1 1207680228 KQWIGLXOHQYYSZ-MNOVXSKESA-N 312.370 -0.647 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CN(C[C@@H](O)COC)C[C@H]2C)nn1 1209254655 NRZHUAVMWOESLD-JHJVBQTASA-N 323.397 -0.479 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)[C@@H]1CCN(C)C1 1211026122 SFMSAFQAXLGLEZ-JHJVBQTASA-N 307.398 -0.986 30 20 DBED C=CCCCN1C[C@@H](NC(=O)CS(=O)(=O)NC)[C@H](C)C1 1211089031 RVJFJUABWUQDKH-VXGBXAGGSA-N 303.428 -0.062 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)c2cn(C)cn2)[C@H](OC)C1 1212116632 DVBKHVCYECCYCP-DGCLKSJQSA-N 321.381 -0.849 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(CC(=O)NCC=C)C[C@H]1OC 1212255371 JZPGNZPMODBWGL-BFHYXJOUSA-N 323.393 -0.858 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)CNC(=O)c1ccoc1C 1212311281 LCROYPNSWHRFPK-CHWSQXEVSA-N 320.349 -0.343 30 20 DBED C[C@@H]1CN(C(=O)c2cncnc2)C[C@H]1NCC(=O)NCC#N 1214490999 CRNRDFFLIBGALQ-ZYHUDNBSSA-N 302.338 -0.834 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)[C@H]2CCNC(=O)CC2)C[C@H]1C 1215230714 SOMXTSSUBSPSSD-RBSFLKMASA-N 321.421 -0.011 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)CCC2CC2)C1 1219406574 YNYITFBLIVOMDG-BNOWGMLFSA-N 307.394 -0.524 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2nccn2C)C[C@@H]1O 1219603336 XUGGGSWFQPWDPK-XQQFMLRXSA-N 306.366 -0.880 30 20 DBED C=CCC(CC=C)C(=O)N[C@@H]1CN(Cc2nnnn2C)C[C@@H]1O 1219686838 WNYXVAVTXCCIFQ-OLZOCXBDSA-N 320.397 -0.360 30 20 DBED N#CCN1CC[C@@H]2CN(C(=O)CNC(=O)c3ccncc3)[C@@H]2C1 1221567068 SUFHYJHSFIIHKL-ZIAGYGMSSA-N 313.361 -0.132 30 20 DBED COCCCNC(=O)CCC(=O)N1C[C@H]2CCN(CC#N)C[C@H]21 1221936638 NTZUSRRJNFSZIJ-ZIAGYGMSSA-N 322.409 -0.024 30 20 DBED C#CCN1CCC(CNC(=O)CCCS(N)(=O)=O)CC1 1224272906 LBQBWCCDEAWKLY-UHFFFAOYSA-N 301.412 -0.484 30 20 DBED C=CCOCC(=O)N(C)C[C@H]1CCN1C[C@H](O)Cn1cccn1 1231169388 HAQPSVXPJHVGKU-CABCVRRESA-N 322.409 -0.021 30 20 DBED C=CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)c1cnnc(O)c1 1235603751 XEGLUGAFDSKDGU-GFCCVEGCSA-N 319.365 -0.369 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CCO[C@H](COC(C)C)C1 1261154352 JDIYPICZVVXXHX-OLZOCXBDSA-N 314.382 -0.044 30 20 DBED C=CCn1cc(CNC(=O)C(=O)NCCOC(F)(F)F)nn1 1261446843 KHRVZNYXTAECQV-UHFFFAOYSA-N 321.259 -0.267 30 20 DBED CC#CC[C@@H](CO)NC(=O)C(=O)Nc1ncn(C(C)(C)C)n1 1261461936 CGSCUXSXXQYJKF-JTQLQIEISA-N 307.354 -0.138 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCCN2CCC[C@@H]2C1)[C@H]1CCCO1 1323588051 PZPSZGNETYVKBB-QLFBSQMISA-N 319.405 -0.020 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N(C)[C@H](C)CS(=O)(=O)CC 1323824501 VWLNKLSUZWTNDW-GHMZBOCLSA-N 320.411 -0.415 30 20 DBED C=CCn1cc(CNC(=O)C(=O)NCCCOC(F)F)nn1 1325975041 TXGYRZUKJJBFSZ-UHFFFAOYSA-N 317.296 -0.174 30 20 DBED CC#CCCNC(=O)C(=O)NCCc1cccc(C(N)=O)c1 1326172298 NFJTVYHICUXQLZ-UHFFFAOYSA-N 301.346 -0.026 30 20 DBED C#CC1CCN(C(=O)C(=O)N2CCc3nnc(O)cc3C2)CC1 1327038763 KMZPSMVXZQVKSZ-UHFFFAOYSA-N 314.345 -0.061 30 20 DBED CN(Cc1ncc[nH]1)C(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1329397244 PWASVNOHOOHIER-GFCCVEGCSA-N 316.365 -0.433 30 20 DBED NC(=O)C[C@@H]1COCCN1C(=O)c1cccc(C#CCO)c1 1332164474 MAGTWLYYDOKAAX-CQSZACIVSA-N 302.330 -0.253 30 20 DBED C#CC1CCN(c2nnnn2CCC(=O)N2CCOCC2)CC1 1335279497 NXXPEHBZQAHWIY-UHFFFAOYSA-N 318.381 -0.228 30 20 DBED N#C[C@H]1CCCN(C(=O)C(=O)N2CC[C@@H](N3CCOC3=O)C2)C1 1335641775 MZBZIDQTQOJPLB-VXGBXAGGSA-N 320.349 -0.198 30 20 DBED C=CCN(C(=O)C(=O)N[C@H]1CCS(=O)(=O)C1)[C@H](C)COC 1336167167 HIGGPHKXQAYCHU-MNOVXSKESA-N 318.395 -0.661 30 20 DBED C=CCn1c(C(N)=O)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1340258198 GVSPPDBLXROGSZ-YGRLFVJLSA-N 307.354 -0.053 30 20 DBED CC#CCCNC(=O)C(=O)NC[C@@H](C(C)C)N1CCN(C)CC1 1340340410 YHSWEYUSPYRXDR-HNNXBMFYSA-N 322.453 -0.096 30 20 DBED C#CCN(C(=O)C(=O)N[C@H](CC)C(=O)N1CCOCC1)C(C)C 1341322371 GXGSWLWJXIMKSI-CYBMUJFWSA-N 323.393 -0.390 30 20 DBED C#CCOCCNC(=O)C(=O)Nc1cnc2c(c1)COCC2 1342245128 VCEKROQWBRUJMB-UHFFFAOYSA-N 303.318 -0.141 30 20 DBED CCOC(=O)[C@H](C)CNC(=O)Cn1cc(C#N)c(O)nc1=O 1362399788 WQYRLGQWRQNTLG-MRVPVSSYSA-N 308.294 -0.864 30 20 DBED Cc1nc[nH]c1C(=O)N1CCN(CCNC(=O)[C@H](C)C#N)CC1 1385533994 AIBOEFYDBNHUSF-LLVKDONJSA-N 318.381 -0.248 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]1CNC(=O)C(C)(C)N1CCOCC1 1389698612 RRUQDVZTKYUVSX-CHWSQXEVSA-N 322.409 -0.026 30 20 DBED C=C(Cl)CN1CC(O)(CNC(=O)CS(=O)(=O)CCC)C1 1393361622 RNBZYSQKBHOOLU-UHFFFAOYSA-N 324.830 -0.273 30 20 DBED C=C(Cl)CN1CCC[C@H]1CNC(=O)CN1CCNC(=O)C1 1399885417 XVZYGSYEQBSEQF-LBPRGKRZSA-N 314.817 -0.249 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CCN(C(=O)c2ccc(C(N)=O)[nH]2)C1 1407548162 FHHMBGAJPBAWMJ-DTWKUNHWSA-N 303.322 -0.396 30 20 DBED C[C@H](C#N)C(=O)N(C)C[C@@H]1CCN(C(=O)c2cn(C)nn2)C1 1408992401 KPSFREVJOKMKEV-MNOVXSKESA-N 304.354 -0.105 30 20 DBED CC(C)NC1(CO)CCN(C(=O)Cn2cnc(C#N)n2)CC1 1412975352 CAGUPFARZZJCQM-UHFFFAOYSA-N 306.370 -0.499 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CCN(C(=O)[C@@H]2CCCN2C(N)=O)C1 1414935780 XJOHKBUVHNKBJI-DCAQKATOSA-N 307.354 -0.594 30 20 DBED CCCS(=O)(=O)CC(=O)N1CC(NC(=O)[C@@H](C)C#N)C1 1416048041 WHFJIBWNFUYYPN-VIFPVBQESA-N 301.368 -0.702 30 20 DBED C[C@H](C#N)C(=O)NCC1CN(C(=O)COc2cnn(C)c2)C1 1416123766 NPTNRBCYJUUNAC-SNVBAGLBSA-N 305.338 -0.467 30 20 DBED CN(CCNC(=O)[C@H]1CCC(=O)N1)C(=O)c1ccc(C#N)[nH]1 1431174904 SZEYEBMUMXJMQH-SNVBAGLBSA-N 303.322 -0.647 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H](C)CNC(=O)CN1CCCNC1=O 1442833430 KPGNPAIXXDTVBC-WDEREUQCSA-N 309.370 -0.476 30 20 DBED C[C@H](C#N)C(=O)N1CCCO[C@H](CNC(=O)Cc2nc[nH]n2)C1 1445260950 NXWPHBBKXFVHQW-GHMZBOCLSA-N 320.353 -0.759 30 20 DBED C[C@@H]1COCC[C@@H]1CNC(=O)CCn1cc(C#N)c(O)nc1=O 1449077496 QUEIMGVFKUPGKM-GHMZBOCLSA-N 320.349 -0.001 30 20 DBED C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)N(C)C(=O)Cc1nc[nH]n1 1449860427 JEDWDQNSDXCDCA-VIFPVBQESA-N 315.337 -0.176 30 20 DBED C[C@@H]1C[C@@H](CO)CN(C(=O)CCn2cc(C#N)c(O)nc2=O)C1 1451829378 NBTLCWDJFVPEHY-GHMZBOCLSA-N 320.349 -0.312 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](CNC(=O)CN1CCCNC1=O)C1CC1 1454173233 LXUDKDYHVHNGNB-CMPLNLGQSA-N 321.381 -0.428 30 20 DBED N#Cc1c(F)cc(C(=O)N2C[C@@H](C(N)=O)[C@@H](C(N)=O)C2)cc1F 1454177254 XPDXOOXSBSXHMU-DTORHVGOSA-N 322.271 -0.505 30 20 DBED CNC(=O)NCC(=O)N1CCC[C@@H]1CN(C)C(=O)[C@@H](C)C#N 1486554913 GFGLHCSYKCABLC-WDEREUQCSA-N 309.370 -0.476 30 20 DBED C#CCOCCC(=O)N1CCC[C@@H]1CNCCn1cncn1 1569541252 QBEFCFUQUWSKQT-CQSZACIVSA-N 305.382 -0.101 30 20 DBED N#Cc1cn(CCC(=O)N[C@H]2CCC[C@H]2C(=O)O)c(=O)nc1O 1574249503 WTLVQIHXRXGCLG-ZJUUUORDSA-N 320.305 -0.420 30 20 DBED C#CC1CCN(C(=O)C(=O)Nc2c(C(=O)O)cnn2C)CC1 1588382986 LYUNFGHTXZBRCQ-UHFFFAOYSA-N 304.306 -0.071 30 20 DBED C#CCN(CC(=O)O)C(=O)NC[C@H](C(C)C)N1CCN(C)CC1 1588410728 ZGQKTXYINYVMSA-CQSZACIVSA-N 324.425 -0.012 30 20 DBED C#CCN(CC(=O)O)C(=O)c1cc(S(N)(=O)=O)oc1Cl 1588416384 MBSYXCTTZYCOEG-UHFFFAOYSA-N 320.710 -0.260 30 20 DBED C#Cc1cccc(NC(=O)C(=O)N2C[C@@H](O)C[C@H](C(=O)O)C2)c1 1588523905 XXSZPNDQALQURG-AAEUAGOBSA-N 316.313 -0.100 30 20 DBED COC[C@@]1(C(=O)O)CN(C(=O)c2cc(C#N)cn2C)CCO1 1593978748 WKZMYGDPYMGQJL-CQSZACIVSA-N 307.306 -0.161 30 20 DBED C=CCOC[C@H](NC(=O)[C@H]1CCc2nnnn2CC1)C(=O)O 1602910362 XDQQWSJLMOPCPN-UWVGGRQHSA-N 309.326 -0.602 30 20 DBED CCC[C@@H](O)[C@H](CO)Nc1cnc(C#N)c(-c2nn[nH]n2)n1 1604145829 YEPLLZVKVPWKNY-DTWKUNHWSA-N 304.314 -0.538 30 20 DBED C[C@@H](CN=c1cc[nH]c(-c2nn[nH]n2)n1)NC(=O)C#CC1CC1 1605401008 UHEJBOOQEILLEU-VIFPVBQESA-N 312.337 -0.591 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)NC[C@@H]2CCCS2(=O)=O)C1 1649842491 JTGXOMUJPUNZFK-CMPLNLGQSA-N 301.368 -0.376 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)CCc2ccncc2)C1 1731373315 SSZKPUTUQVRZDM-OAHLLOKOSA-N 314.389 -0.046 30 20 DBED C=CCN1CC[C@@H](N(C)CCNC(=O)[C@@H]2CCNC(=O)C2)C1=O 1753046102 MKGWKHPXSMGNGU-CHWSQXEVSA-N 322.409 -0.653 30 20 DBED CN(CC(=O)NCC#N)C[C@@H]1CCN(C(=O)c2cnsn2)C1 1753357518 YTBSVAKFBJQLBL-JTQLQIEISA-N 322.394 -0.428 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@H]1CN(Cc2nncn2C)CCO1 1753650252 PJJAFKFKRVLGMA-SWLSCSKDSA-N 323.397 -0.541 30 20 DBED CN(CC#N)CCC1CCN(C(=O)c2nnc(O)nc2O)CC1 1753821105 QKLKYQWKEGFFOH-UHFFFAOYSA-N 320.353 -0.020 30 20 DBED Cc1nn(C)cc1C(=O)N[C@H](C)CCNCC(=O)NCC#N 1753952080 PNBAXANJRMHAJC-SNVBAGLBSA-N 306.370 -0.534 30 20 DBED C=CCN1CC[C@H](NCCN(CC)C(=O)C2(C(N)=O)CC2)C1=O 1754064198 NSFVCKQYRUFTRD-LBPRGKRZSA-N 322.409 -0.523 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H](C)CNCc1nnn(C)n1 1754243529 PRDNAEZRPOULJT-PWSUYJOCSA-N 323.401 -0.725 30 20 DBED COCC#CCNC[C@H](NC(=O)C(=O)NCC(F)F)C1CC1 1754444086 CCPJHMRKLRGDDP-NSHDSACASA-N 317.336 -0.498 30 20 DBED C#CCNC[C@@H]1CCCN1C(=O)c1ccc(S(N)(=O)=O)o1 1754613434 JDKPVVFOJUEBMD-JTQLQIEISA-N 311.363 -0.246 30 20 DBED C=CCNC(=O)CN1CCC(C)(NC(=O)CCCC(N)=O)CC1 1754629462 CUUVTSOPIRAPFV-UHFFFAOYSA-N 324.425 -0.085 30 20 DBED Cn1cnnc1COCC(=O)N1CC[C@H](CCNCC#N)C1 1754938145 QDFPVDOEEUOEMA-LBPRGKRZSA-N 306.370 -0.317 30 20 DBED CC/C(C)=C\C(=O)N1CCO[C@@H](CNCC(=O)NCC#N)C1 1755002840 ZTQTWMVZLASRSH-FSBNRTBOSA-N 308.382 -0.201 30 20 DBED Cn1nccc1COCC(=O)N1CCO[C@@H](CNCC#N)C1 1755003473 NZNZEPZOFMSCAM-ZDUSSCGKSA-N 307.354 -0.723 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CN(C)S(C)(=O)=O)C[C@@H]1C 1755161147 JNIADJASFIGYJJ-QWHCGFSZSA-N 315.439 -0.130 30 20 DBED C=C(C)CN(C)C[C@@H]1CCCN1C(=O)CN1CCNC(=O)C1 1755196134 GHOCULNAVFFYIG-AWEZNQCLSA-N 308.426 -0.083 30 20 DBED C#CCN1C[C@@H](NC(=O)CCn2ncn(C)c2=O)C(C)(C)C1 1755410308 OPVQHFVUTZMQIK-GFCCVEGCSA-N 305.382 -0.568 30 20 DBED C[C@@H](CN(C)C(=O)CC[C@H]1CCOC1)NCC(=O)NCC#N 1755584352 WQNOXHCNTODQMS-STQMWFEESA-N 310.398 -0.121 30 20 DBED CC#CCN[C@@H]1C[C@@H](C)N(C(=O)CN2CCC(=O)NC2=O)C1 1755690066 MHJSCXKXDNRAQM-VXGBXAGGSA-N 306.366 -0.469 30 20 DBED N#CCSCC(=O)NC1CC(CNC(=O)[C@H]2CCC(=O)N2)C1 1755929739 XDXFAPWYAJUBNQ-VQXHTEKXSA-N 324.406 -0.467 30 20 DBED C=CCCC(=O)NC[C@@H](CO)NC(=O)C[C@@H]1CCCC(=O)N1 1756520505 XUXSKURJDYCXNN-RYUDHWBXSA-N 311.382 -0.395 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2)C[C@@H]1O 1757198815 AWFFCTPEJLNXHR-MXWKQRLJSA-N 309.366 -0.835 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@H]2CCN(C(=O)CC(=O)NC)C[C@H]21 1757231552 WGVMBFNUNDAGMH-YNEHKIRRSA-N 321.377 -0.780 30 20 DBED C/C=C(/C)C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1783087128 XNAKXODEKCYMFE-WAVALHSVSA-N 320.345 -0.130 30 20 DBED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)COC)C[C@@H]21 1790789809 MEGHLSNEIDWVEU-XUXIUFHCSA-N 308.378 -0.118 30 20 DBED N#CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](N)CN)CC1 1826319406 SPLCZYDTPPUFFI-UONOGXRCSA-N 321.425 -0.194 30 20 DBED Cn1ncnc1C(=O)N1CCCC12CN(C(=O)CCC#N)C2 1842341755 SXGXSLOSYMGMQZ-UHFFFAOYSA-N 302.338 -0.064 30 20 DBED C#CCNS(=O)(=O)c1ccc(C(=O)NCCCC(N)=O)cc1 42970081 LOMGGHYFWUFDJB-UHFFFAOYSA-N 323.374 -0.407 30 20 DBED C#CCN1CCN(C(=O)CS(=O)(=O)N(CC)CC)CC1 73640886 IFWMMFFQDVAVEC-UHFFFAOYSA-N 301.412 -0.565 30 20 DBED CN(C)CC(=O)N1CCN(C(=O)c2ccc(C#N)cn2)CC1 107551862 LQLGGNZNJWFZGL-UHFFFAOYSA-N 301.350 -0.201 30 20 DBED C/N=C(/NC[C@@H]1CN2CCN1CC2)N[C@@H]1C[C@@H](OC)C1(C)C 261855640 TYEPWBYIICFEBQ-MGPQQGTHSA-N 309.458 -0.035 30 20 DBED CCN/C(N)=N/Cc1ccc(C(=O)N2CCNC(=O)C2)cc1 264151008 ZEGBCEAFZQJCIP-UHFFFAOYSA-N 303.366 -0.317 30 20 DBED CCOC(=O)CO/N=C(/C(=O)N1CC[C@H](O)C1)c1cc[nH]n1 276536841 FRXISEADAOCFMA-WWKXRVGISA-N 310.310 -0.713 30 20 DBED Cc1cc(S(N)(=O)=O)ccc1C/N=C(\N)N1CCOCC1 277935408 IHNIKCVHKNNRFI-UHFFFAOYSA-N 312.395 -0.211 30 20 DBED C=CCCOCCNC(=O)C(=O)N1C[C@H](C)O[C@@H](COC)C1 289460656 UXYBWWPAVWZSKW-QWHCGFSZSA-N 314.382 -0.042 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2C[C@H](C)O[C@H](C)C2)C1=O 297870100 OEKHWDGNXPVLCF-XQQFMLRXSA-N 323.393 -0.133 30 20 DBED CCOC(=O)C(C)(C)N(C)S(=O)(=O)N1CCO[C@H](C#N)C1 337094339 OUEWDQOQLRSWAO-SNVBAGLBSA-N 319.383 -0.271 30 20 DBED CC[C@@H]1CN(C(=O)C(=O)Nc2cc(C)n(CCC#N)n2)C[C@H]1O 340752096 YUDXEJZVHZQBLQ-VXGBXAGGSA-N 319.365 0.273 30 20 DBED C=CC[C@H](C)NC(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 342530344 RJRFCZMALFKWSW-WDEREUQCSA-N 317.411 -0.056 30 20 DBED N#Cc1ncn(CCNC(=O)NCCCNC(=O)C2CCC2)n1 345126310 IYDMUXDVUBXJKR-UHFFFAOYSA-N 319.369 -0.245 30 20 DBED C=CC[C@H](CO)NC(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccnn1C 346675250 VRCGFLXIGHDYLE-UHIISALHSA-N 306.366 -0.007 30 20 DBED CN(C[C@@H](O)CN(CCC#N)CCN1CCOCC1)C1CC1 351522156 XFZJGIGERYPUPL-MRXNPFEDSA-N 310.442 -0.011 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N1CCOC[C@@]12CCOC2 367183268 BJQIAVALOIEFBJ-RYUDHWBXSA-N 303.384 -0.044 30 20 DBED C[C@@H](C#N)S(=O)(=O)NCC(=O)NCCN1CCCCCC1 416487443 JMEWQSVTQWVEBY-LBPRGKRZSA-N 316.427 -0.190 30 20 DBED CC(C)(CC#N)CS(=O)(=O)N1CCN(S(N)(=O)=O)CC1 451192270 OEKFMXAERUXRGI-UHFFFAOYSA-N 324.428 -0.923 30 20 DBED C#CCN1CCN(C(=O)CNc2ccccc2C(N)=O)CC1 490759391 DAMYLUWOPOMIEB-UHFFFAOYSA-N 300.362 -0.025 30 20 DBED C#CCNC(=O)CCN[C@H]1CCN(c2cc(C)nn2C)C1=O 491785012 RPZVRVQCYZHLFM-LBPRGKRZSA-N 303.366 -0.437 30 20 DBED CCC[C@H](C#N)NC(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1 531031352 NPMVJNPUTUWRNJ-NXEZZACHSA-N 313.383 -0.105 30 20 DBED CC[C@@]1(C)NC(=O)N(CC(=O)N[C@](C)(C#N)CN(C)C)C1=O 564088851 DPGKBWAKBZBJRK-ZIAGYGMSSA-N 309.370 -0.333 30 20 DBED C[C@@H]1[C@H](O)CCN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 591085029 BYWGMQZCDCKNOH-ZWNOBZJWSA-N 323.374 -0.182 30 20 DBED C[C@H](C#N)N(C(=O)[C@@H]1CCCN(S(N)(=O)=O)C1)C1CC1 598135618 ZLZALAWODFNTQV-NXEZZACHSA-N 300.384 -0.195 30 20 DBED COc1cc(C#N)ccc1NC(=O)C(=O)NC[C@H]1COCCN1 599897453 GEZWEXCMEXRGSX-NSHDSACASA-N 318.333 -0.390 30 20 DBED N#Cc1cccc(S(=O)(=O)N2CC3(C2)CS(=O)(=O)C3)c1 603373173 YTRVSQZEFPQBOS-UHFFFAOYSA-N 312.372 -0.023 30 20 DBED COCCN(CCC#N)C(=O)CCN1CCCS1(=O)=O 609136608 GLQHZLOKXXYXRI-UHFFFAOYSA-N 303.384 -0.199 30 20 DBED CN(CC(=O)N1CC[C@](F)(C#N)C1)[C@@H]1CCS(=O)(=O)C1 615932877 SQIXUZCUIBPUMZ-PWSUYJOCSA-N 303.359 -0.431 30 20 DBED C=C(C)COCCNC(=O)NC1CC(NS(C)(=O)=O)C1 669874378 AGKMPXCLLOFNGX-UHFFFAOYSA-N 305.400 -0.042 30 20 DBED CN(CC(=O)Nc1nc(C#N)c(C#N)[nH]1)c1ncnc2[nH]cnc12 732269088 PXZGYKRNHUVRJZ-UHFFFAOYSA-N 322.292 -0.106 30 20 DBED C#CCOCCC(=O)NCc1ccc(C(=O)NCC(N)=O)cc1 755540143 FYHLZENPOULPBI-UHFFFAOYSA-N 317.345 -0.442 30 20 DBED C#CCCN1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 760856127 XFFJQMVURIHLDU-GFCCVEGCSA-N 320.436 -0.856 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)[C@H]2CCOC2)C1=O 762878867 AQQNNUOUPLGLEI-VIFPVBQESA-N 324.289 -0.888 30 20 DBED N#Cc1cccnc1NCCNC(=O)C(=O)NCc1cc[nH]n1 774149219 MLNQQTRARHFBLY-UHFFFAOYSA-N 313.321 -0.479 30 20 DBED C=CCN(CC(=O)O)C(=O)NCCCN(C)S(=O)(=O)CC 797710271 WLURVDDMCSXZSS-UHFFFAOYSA-N 321.399 -0.060 30 20 DBED CCOC(=O)[C@H](C)NS(=O)(=O)N(CCC#N)CCOC 800015996 SWMQVRMNINNJQS-JTQLQIEISA-N 307.372 -0.366 30 20 DBED COc1cc(C=NNC[C@H](C)O)cc(OC)c1OCC(N)=O 814962816 VGVKPFZARCPMCT-VIFPVBQESA-N 311.338 -0.128 30 20 DBED O=C(N[C@H]1CCCN(O)C1=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 820482366 IDRYJBWBKWGVCC-YUMQZZPRSA-N 323.271 -0.106 30 20 DBED N#Cc1ccc2c(c1)N(C(=O)Cn1cnc(-c3nn[nH]n3)n1)CC2 826385799 BEUGETATMPSYMA-UHFFFAOYSA-N 321.304 -0.081 30 20 DBED CC(=NNC(=S)NCCN1CCOCC1)c1cnn(C)n1 834920827 UCLYTCBHALOCIZ-UHFFFAOYSA-N 311.415 -0.665 30 20 DBED C#CCCN(CCOC)C(=O)NCCC(=O)N1CCN(C)CC1 853343061 VGFXNAOJLVROOB-UHFFFAOYSA-N 324.425 -0.168 30 20 DBED C#C[C@](C)(CC)NC(=O)c1nc(N)nc(N2CCOCC2)n1 854703901 GCSWMFCRIYTYSK-CQSZACIVSA-N 304.354 -0.178 30 20 DBED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NC/C=C/CO 855401933 SQKPUMYFOFGPRN-ONEGZZNKSA-N 323.374 -0.220 30 20 DBED O=C1NC(=O)C(=NNCCCOCc2ccccc2)C(=O)N1 863177097 GIBFZPVCRBSPRN-UHFFFAOYSA-N 304.306 -0.095 30 20 DBED CC#CCS(=O)(=O)NC(=O)C1(CC(=O)O)CCOCC1 863960142 IZAOINOCMNAMBL-UHFFFAOYSA-N 303.336 -0.273 30 20 DBED CCNC(=O)COc1cccc(CNC(=O)NCC#CCO)c1 923778515 WEMOIQOYLBYDLP-UHFFFAOYSA-N 319.361 -0.004 30 20 DBED CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)C[C@H](O)CC#N)C1 929477425 VJRUAUJZRDGAFZ-CHWSQXEVSA-N 311.382 -0.006 30 20 DBED Cn1nnc(C(=O)N2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)n1 937838524 CPWRQNUUIFPOEH-VIFPVBQESA-N 314.309 -0.946 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCN(CC(N)=O)C[C@H]2C)nn1 943480921 HBIHYIJDVWRAIN-GHMZBOCLSA-N 306.370 -0.610 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)C(N)=O 944249924 YOSFWOZXEWBUAR-UTUOFQBUSA-N 309.366 -0.440 30 20 DBED C[C@H](C#N)C(=O)N1CCOC2(CCN([C@H](C)C(N)=O)CC2)C1 949053636 CNJIGLPONGCKJO-VXGBXAGGSA-N 308.382 -0.287 30 20 DBED N#Cc1cc(C(=O)N[C@H]2CCCN(C(=O)CC(N)=O)C2)c[nH]1 950253134 FUVXKCFBMSHABP-JTQLQIEISA-N 303.322 -0.517 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2CCN2C(=O)c2cn(C)nn2)nc1 951378075 MNHOIBXHJOZXTI-LBPRGKRZSA-N 324.344 -0.164 30 20 DBED CN(C(=O)C1CS(=O)(=O)C1)C1CN(C(=O)C#CC2CC2)C1 954368327 PVNQETKBYILCHD-UHFFFAOYSA-N 310.375 -0.886 30 20 DBED C=CC(C)(C)C(=O)N1CC(N(C)C(=O)Cn2ncn(C)c2=O)C1 954679001 ZXIROEBNHFIZID-UHFFFAOYSA-N 321.381 -0.537 30 20 DBED C[C@@H](C#N)C(=O)N1CC(N(C)C(=O)[C@@]2(C)CCC(=O)NC2)C1 955060226 DQHXAILINSMAGX-BONVTDFDSA-N 306.366 -0.268 30 20 DBED Cn1cc(C(=O)N[C@@]2(C)CCN(C(=O)C#CC3CC3)C2)nn1 956896464 BXKQADJUHZFZEN-HNNXBMFYSA-N 301.350 -0.051 30 20 DBED C#CCCN1C[C@@H](O)[C@H](CNC(=O)c2cc(OC)ncn2)C1 958073778 NQUKVAJWHPPNKK-DGCLKSJQSA-N 304.350 -0.469 30 20 DBED CC#CCN1C[C@@H](O)[C@@H](CNC(=O)c2ccc3nn[nH]c3n2)C1 958121457 GYGRSCVLBOYYQT-GXFFZTMASA-N 314.349 -0.601 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2ccnc3[nH]nnc23)C1 958248882 PYVFVGYSMXVDCW-KOLCDFICSA-N 300.322 -0.991 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2ccc3nc(O)[nH]c3c2)C1 958447728 JCROBYZVZKMVAL-BXUZGUMPSA-N 314.345 -0.076 30 20 DBED C=CCCn1cc(C(=O)NC[C@H]2CN(CC#N)C[C@@H]2O)nn1 958477023 SWFRLBUPQZOWEW-AAEUAGOBSA-N 304.354 -0.600 30 20 DBED C#CCCN1C[C@H](CNC(=O)c2ccc(=O)n(CC)n2)[C@@H](O)C1 958494327 OEQGLZMFTZHYFL-JSGCOSHPSA-N 318.377 -0.691 30 20 DBED C=C(C)CN1C[C@H](CNC(=O)c2nc3ncccn3n2)[C@@H](O)C1 958507057 KMRSGDCXEIUHLP-RYUDHWBXSA-N 316.365 -0.277 30 20 DBED C#CCCN1C[C@@H](O)[C@H](CNC(=O)c2ccc(N(C)C)nn2)C1 958600213 YFDZYPWZDFKHOK-TZMCWYRMSA-N 317.393 -0.412 30 20 DBED N#CCN1C[C@@H](O)[C@H](CNC(=O)c2cc(C(N)=O)cs2)C1 958728237 MOGBKKRNZPDVQT-NXEZZACHSA-N 308.363 -0.607 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2cnc(COC)s2)C1 958744056 FEEJMBZQEXGCNQ-MNOVXSKESA-N 309.391 -0.055 30 20 DBED CN(C(=O)c1cnco1)[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 958901716 OIKKFVZRFPRTPE-RYUDHWBXSA-N 303.318 -0.268 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)Cc3nc[nH]n3)C[C@@H]2C1 962261451 YDJOTOJUUCGGEZ-GARJFASQSA-N 302.338 -0.576 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)c1ccn(C)n1 964191945 ODGFFGGKJJNPAF-MNOVXSKESA-N 305.338 -0.463 30 20 DBED C[C@H](C#N)C(=O)N1CC2(C[C@H](NC(=O)c3cnco3)CO2)C1 965760143 WCWPCHYCUDGXBV-ZJUUUORDSA-N 304.306 -0.066 30 20 DBED Cn1nnnc1CN[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 968447472 HQRPLGULWWYPGX-SNVBAGLBSA-N 300.326 -0.586 30 20 DBED C=C1CC(C)(C(=O)N2C[C@H](O)[C@H](NC(=O)c3cnn[nH]3)C2)C1 968698206 PIPMKFBGJYFFOM-MNOVXSKESA-N 305.338 -0.538 30 20 DBED C[C@@H](NC(=O)[C@H]1CCc2nnc(O)n2C1)C1CN(CC#N)C1 969991764 HCJVWQOGHTUNNU-ZJUUUORDSA-N 304.354 -0.494 30 20 DBED C=C1CC(C)(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)C1 970663631 FEMYSWJZDRRQRY-KXNHARMFSA-N 321.377 -0.848 30 20 DBED O=C1NC[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)C#CC4CC4)[C@@H]3C2)N1 972086411 QRBULUKPBYCSEX-FRRDWIJNSA-N 316.361 -0.860 30 20 DBED NC(=O)[C@H]1CC[C@@H]1C(=O)N[C@H]1[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]21 976944675 IOZUYDBBFBYOEP-XOBFJNJYSA-N 315.373 -0.516 30 20 DBED C=C[C@](C)(CC)C(=O)N1C[C@H]2[C@H](NC(=O)c3nnn(C)n3)[C@H]2C1 976993848 KUKBJNMRLMYYJN-DZHLUBAWSA-N 318.381 -0.001 30 20 DBED C#CCN[C@@H]1CCC[C@@H](NC(=O)c2cn(C)c(=O)nc2O)C1 981515733 AMKGKWSKYHGVLD-GHMZBOCLSA-N 304.350 -0.250 30 20 DBED CN(C[C@H]1CCN(C(=O)C#CC2CC2)C1)C(=O)[C@H]1CNC(=O)N1 987990069 DVYXWCCXWLPKTH-CHWSQXEVSA-N 318.377 -0.612 30 20 DBED C=CCn1cc(C(=O)N2CC(NC(=O)c3cocn3)C2)nn1 990493667 OFQFGSFPKAEVIY-UHFFFAOYSA-N 302.294 -0.294 30 20 DBED CN1CCOC[C@H]1C(=O)N1CC(NC(=O)c2c[nH]c(C#N)c2)C1 990926242 AXZSZSJKGSREIN-ZDUSSCGKSA-N 317.349 -0.842 30 20 DBED C#Cc1ccc(C(=O)N2CC(NC(=O)Cc3n[nH]c(C)n3)C2)cn1 991274381 VWOBBDKNCITLHJ-UHFFFAOYSA-N 324.344 -0.327 30 20 DBED C=CCn1cc(C(=O)NC2CN(C(=O)Cn3cccn3)C2)nn1 991673700 OBBMRJCWNJMPRZ-UHFFFAOYSA-N 315.337 -0.699 30 20 DBED C[C@@H]1[C@H](NC(=O)CN2C(=O)CN(C)C2=O)CCCN1CC#N 994368020 VEMCSMZVQWAYOL-GHMZBOCLSA-N 307.354 -0.627 30 20 DBED CN1CC[C@@H](C(=O)NC2CN(C(=O)C#CC3CC3)C2)CC1=O 995121257 OJBZFLBCTUWFQE-GFCCVEGCSA-N 303.362 -0.405 30 20 DBED C[C@H](C#N)C(=O)N1CC(NC(=O)c2cccn3c(O)nnc23)C1 996397224 UDROBTKRTMOIPW-MRVPVSSYSA-N 314.305 -0.465 30 20 DBED C[C@H](NC(=O)c1cnc(O)n(C)c1=O)C1CCN(CC#N)CC1 997704578 VXIUDQLIYOTXOF-JTQLQIEISA-N 319.365 -0.160 30 20 DBED C=CCN1CC[C@H](n2cc(CNC(=O)[C@@H]3CCNC3=O)nn2)C1 999999075 BZGMOXNUKMTYGY-QWHCGFSZSA-N 318.381 -0.537 30 20 DBED C=CCN1CCC(N(C)C(=O)Cn2cnc(C(N)=O)n2)CC1 1005414072 YGNSANFVHRCHSC-UHFFFAOYSA-N 306.370 -0.514 30 20 DBED C=C1CC(C)(C(=O)N2CC([C@@H](C)NC(=O)[C@@H]3CNC(=O)N3)C2)C1 1006744670 GIDKRZDKSLZKGN-PWSUYJOCSA-N 320.393 -0.013 30 20 DBED C=CCN1CCC2(CC1)C[C@@H]2NC(=O)Cn1cnc(C(N)=O)n1 1016630737 IQTIBEAPXTUHIS-NSHDSACASA-N 318.381 -0.466 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H](C(=O)N2CCN(CCO)CC2)C1 1018364661 WWURPGRILYBCTD-UONOGXRCSA-N 322.409 -0.479 30 20 DBED C[C@H](N[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1)c1nnnn1C 1018738673 VCLCFKVYSYTTQV-ONGXEEELSA-N 314.353 -0.025 30 20 DBED N#Cc1ccc(CN[C@H]2C[C@H](NC(=O)[C@@H]3CNC(=O)N3)C2)cc1 1020532745 ZXKOUIAVHGGOFN-IHRRRGAJSA-N 313.361 -0.024 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2C[C@@H](NCc3nnnn3C)C2)cn1 1022992386 LQMODCFYEHOARN-BETUJISGSA-N 311.349 -0.363 30 20 DBED C[C@@H](NC(=O)c1cn(C)c(=O)nc1O)[C@H]1CCCN(CC#N)C1 1025619233 UXJFAZBETZHSKB-MNOVXSKESA-N 319.365 -0.160 30 20 DBED C=CCN1CC[C@H](N[C@H]2CC[C@H](NC(=O)C(N)=O)CC2)C1=O 1034721769 WAODQWOPJCYWQE-SRVKXCTJSA-N 308.382 -0.724 30 20 DBED CC#CCN1CCO[C@@H](CNC(=O)[C@H]2CCS(=O)(=O)C2)C1 1035437771 IEVCUTPWRGBQMS-STQMWFEESA-N 314.407 -0.739 30 20 DBED N#CCN1CCO[C@H](CNC(=O)[C@@H]2CN3CC4CC3(CO2)C4)C1 1035445222 AYTZMGNXOBKWNE-IQXANGCESA-N 320.393 -0.810 30 20 DBED COCCn1cc(C(=O)NC[C@@H]2CN(CC#N)CCO2)cn1 1035595699 LCYUSDQULXJDCN-CYBMUJFWSA-N 307.354 -0.516 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H]3[C@@H](CCN3CCO)C2)nn1 1036838120 SXXRYQNFXGTMHU-JSGCOSHPSA-N 305.382 -0.007 30 20 DBED C=C(C)CCC(=O)N1CC[C@](O)(CNC(=O)c2cnnn2C)C1 1039600904 GQCQCFQVEXXYQW-HNNXBMFYSA-N 321.381 -0.135 30 20 DBED C=CCCC(=O)N1CC[C@](O)(CNC(=O)[C@H]2CCCC(=O)N2)C1 1040138632 XZONLOPWXBPTGV-WBMJQRKESA-N 323.393 -0.299 30 20 DBED COCC(C)(C)C(=O)N1CC[C@](O)(CNC(=O)[C@@H](C)C#N)C1 1040765073 FMEROJCDKCWFDD-NHYWBVRUSA-N 311.382 -0.102 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)c2ccnnc2)C1 1041015673 KEXWEORSOKDQBQ-IINYFYTJSA-N 303.322 -0.671 30 20 DBED CC(C)(C)C#CC(=O)N1CC(O)(CNC(=O)[C@H]2CCOC2)C1 1041877454 AKNZSVFYSUZBJK-LBPRGKRZSA-N 308.378 -0.238 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)[C@H](C)COC)C1 1042040559 UOIKCHOOVPRDCF-LLVKDONJSA-N 300.355 -0.839 30 20 DBED N#Cc1ccc(C(=O)NCC2(O)CN(C(=O)C3(CF)CC3)C2)[nH]1 1042616208 SGDRMGIFIXXSPE-UHFFFAOYSA-N 320.324 -0.061 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2cnco2)C1 1043042080 LXCZGHUJFLOUAG-JTQLQIEISA-N 307.306 -0.984 30 20 DBED C[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1Nc1cnc(C#N)cn1 1043086096 CRFFBPMPEZXFFD-MWLCHTKSSA-N 323.378 -0.348 30 20 DBED CCCN(C)CCC(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1044290786 FKOZDPMUBCBOHI-UHFFFAOYSA-N 321.421 -0.179 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)COc2ccsc2)C1 1045546156 IYJKWXGIXBZHLG-SNVBAGLBSA-N 323.374 -0.024 30 20 DBED C=CCCOCC(=O)N1C[C@H]2C[C@H](NC(=O)C(N)=O)C[C@H]1C2 1047700689 HWGYNZUTBWOQHH-SDDRHHMPSA-N 309.366 -0.440 30 20 DBED CC[C@@H](OC)C(=O)N(C)[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 1048506297 NMLTTWOAGYIKAW-MELADBBJSA-N 308.378 -0.145 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2ccncn2)C1 1049297121 UATVFKHUKRRPRE-KBPBESRZSA-N 316.361 -0.076 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)CN1C(=O)CNC1=O)C2 1050748292 MVMBFVVAIGNYDG-UHFFFAOYSA-N 304.350 -0.904 30 20 DBED C#CCCN1CCOC[C@@H]1CNC(=O)[C@H]1CN(C(C)=O)CCO1 1051232967 YJHSUKYGGBRXNR-LSDHHAIUSA-N 323.393 -0.926 30 20 DBED CCc1nnc(CNC[C@H]2CN(C(=O)[C@@H](C)C#N)CCO2)n1C 1051493907 BTFAVLUWUABFJQ-RYUDHWBXSA-N 320.397 -0.146 30 20 DBED C#CCN1CCN([C@H]2CCN(C(=O)[C@@H]3CN(C)CCO3)C2)CC1 1051998836 BETKWAQRNWJJNG-HOTGVXAUSA-N 320.437 -0.831 30 20 DBED C=C(C)CN1CCN([C@H]2CCN(C(=O)[C@@H]3COC(=O)N3)C2)CC1 1052018022 AFDHQUDAJCWVOU-KBPBESRZSA-N 322.409 -0.111 30 20 DBED C#CCN1CCN([C@H]2CCN(C(=O)Cc3ccn(C)n3)C2)CC1 1052025520 GKVOIYXNTQGCOR-INIZCTEOSA-N 315.421 -0.186 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)c3ccn4nnnc4c3)CO2)C1 1053891010 NMWHUCZERNVKDB-NSHDSACASA-N 313.321 -0.779 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)[C@@]3(C)CCNC3=O)CO2)C1 1053926126 WFPDSPVCQJUCFW-WFASDCNBSA-N 305.378 -0.505 30 20 DBED C=CCN1CC2(C[C@@H](NC(=O)[C@H]3COCCN3C(C)=O)CO2)C1 1054013201 QDWLBSRHKZYMQM-ZIAGYGMSSA-N 323.393 -0.621 30 20 DBED C=CCN[C@@H]1CN(C(=O)CN2CCCS2(=O)=O)C[C@@H]1C 1054715321 XWBBQFLSPYBDAG-NWDGAFQWSA-N 301.412 -0.356 30 20 DBED C[C@H](CC(=O)N1C[C@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2C1)NC(N)=O 1055341327 XUVWYSOIKIGTFA-KKOKHZNYSA-N 321.381 -0.490 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC[C@@](CO)(NC(=O)C2CC2)C1 1055689428 ZWIDSEATKWMUHD-BLLLJJGKSA-N 308.378 -0.096 30 20 DBED Cn1cncc1C(=O)N[C@H]1[C@@H]2CN(c3ccc(C#N)nn3)C[C@@H]21 1056336829 WERIQEMUKQGHKF-YABSGUDNSA-N 309.333 -0.054 30 20 DBED C[C@]1(C(=O)N2CC[C@@H](N=c3cc[nH]cc3C#N)C2)CNC(=O)C1 1056739072 ZYXCZZSLIYUEKB-MLGOLLRUSA-N 313.361 -0.086 30 20 DBED C[C@H](C(=O)N(CCO)CCNC(=O)C#CC1CC1)n1cccn1 1057049803 RRNJWPGOYIGGIS-CYBMUJFWSA-N 318.377 -0.205 30 20 DBED N#Cc1cncc(N2CCCN(C(=O)[C@@H]3COCCO3)CC2)n1 1057091809 MIXYIJBCUSMFIX-ZDUSSCGKSA-N 317.349 -0.198 30 20 DBED CCNC(=O)CC(=O)NCCN(CCO)C(=O)C#CC(C)C 1057517305 PJWDXZBYRFUSKF-UHFFFAOYSA-N 311.382 -0.891 30 20 DBED N#Cc1cc(C(=O)N[C@H]2CCN(c3ccc4nnnn4n3)C2)c[nH]1 1058321064 RIFRKVAVYFVGOU-JTQLQIEISA-N 323.320 -0.272 30 20 DBED Cc1nonc1CC(=O)NCCN(CCO)C(=O)[C@H](C)C#N 1058656722 JIZFRBRFXFQBPG-SECBINFHSA-N 309.326 -0.983 30 20 DBED C#CCOCCC(=O)N1CCOC[C@H]1CNC(=O)c1cnco1 1061730791 LGVBXPQRABTVHV-GFCCVEGCSA-N 321.333 -0.328 30 20 DBED CCn1cc(C(=O)N2CCOC[C@@H]2CNC(=O)[C@@H](C)C#N)nn1 1061848341 PUXWQQWGMJBZEF-QWRGUYRKSA-N 320.353 -0.585 30 20 DBED C#CCNC(=O)CC(=O)NC1(CNC(=O)[C@@H]2CCCO2)CCC1 1062470030 GERAYHGONMLQKR-LBPRGKRZSA-N 321.377 -0.540 30 20 DBED C#CCNC(=O)CC(=O)NC1(CNC(=O)c2ccon2)CCC1 1062633979 SJPLENSHWBDHBJ-UHFFFAOYSA-N 318.333 -0.417 30 20 DBED C=CCOCC(=O)NCC1(NC(=O)CN(C)C(C)=O)CCC1 1062701913 BLSJYABHFBTYNP-UHFFFAOYSA-N 311.382 -0.178 30 20 DBED CN(C(=O)c1nnn(C)n1)[C@@H]1CCN(c2ccnc(C#N)n2)C1 1063013643 WRIZCFCCNWKAPK-SECBINFHSA-N 313.325 -0.777 30 20 DBED N#CCSCC(=O)N1CCO[C@H](CNC(=O)c2ccon2)C1 1064881632 XKORSTRHGQVLOH-SNVBAGLBSA-N 324.362 -0.111 30 20 DBED C=CCOCC(=O)N1CCO[C@H](CNC(=O)[C@@H](C)OCC)C1 1064976498 KFEAYZFVGMXIRJ-CHWSQXEVSA-N 314.382 -0.042 30 20 DBED C#CCNC(=O)CC(=O)N1CCO[C@H](CNC(=O)[C@H]2C[C@@H]2C)C1 1065066849 DNZQFVOCKRJVRJ-XQQFMLRXSA-N 321.377 -0.875 30 20 DBED C#CCNC(=O)CC(=O)N1CCO[C@H](CNC(=O)C2(C)CC2)C1 1065067989 URMTYHCPIALJLO-GFCCVEGCSA-N 321.377 -0.730 30 20 DBED C[C@]1(NC(=O)[C@@H]2CNC(=O)N2)CCN(c2ncccc2C#N)C1 1065326865 SHTSVSBVXRHIEF-NHYWBVRUSA-N 314.349 -0.280 30 20 DBED CC(=O)NC(C)(C)C(=O)NC[C@H]1CN(C(=O)[C@H](C)C#N)CCO1 1065557263 OODMMHYMCXBXDW-PWSUYJOCSA-N 324.381 -0.596 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)CCCCC(N)=O)C1 1065557835 VXJGECIKMOLMPA-NEPJUHHUSA-N 324.381 -0.465 30 20 DBED Cc1cc(=N[C@H](C)[C@H]2CCN(C(=O)C(N)=O)C2)c(C#N)c[nH]1 1065766661 MKJAGQZOENBURD-MNOVXSKESA-N 301.350 -0.182 30 20 DBED C[C@H](Nc1ccc(C#N)nc1)[C@H]1CN(C(=O)CC(N)=O)CCO1 1068226791 ANWRQNYDDDKBQL-GXFFZTMASA-N 317.349 -0.144 30 20 DBED C=CCCC(=O)N1CC2(C[C@H](NC(=O)[C@@H]3CCNC3=O)CO2)C1 1068944183 AGAONRAHMMCGRU-NWDGAFQWSA-N 321.377 -0.425 30 20 DBED Cc1cc(C(=O)N[C@@H]2CN(CC#N)C[C@@H]2n2ccnn2)cnn1 1069916454 XPILKEHUYIETHJ-OLZOCXBDSA-N 312.337 -0.445 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2)C[C@H]1c1cn(C)cn1 1070475236 JOIFEKZTFLPATJ-OUCADQQQSA-N 315.377 -0.784 30 20 DBED C#CCN[C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1c1cn(C)cn1 1070560311 CVXSGYFVUIAARX-GXTWGEPZSA-N 313.365 -0.771 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CCCN(C(=O)CNC(=O)CC)C1 1070561821 KYTDZNXRLOVOLL-CHWSQXEVSA-N 323.393 -0.342 30 20 DBED C#CCCN1C[C@H](NC(=O)Cn2nc(C)n(C)c2=O)CC[C@@H]1C 1072033831 PLQDBNIZQSAFPU-GXTWGEPZSA-N 319.409 -0.117 30 20 DBED CC(C)C#CC(=O)N1C[C@H](C)[C@@H](NC(=O)Cn2cncn2)C1 1072049079 QJLSFYCOZPFRPH-STQMWFEESA-N 303.366 -0.099 30 20 DBED C#CCOCCC(=O)N[C@H]1CN(C(=O)c2cnn(C)n2)C[C@@H]1C 1072389729 HBWKXNIRUJRKRQ-AAEUAGOBSA-N 319.365 -0.568 30 20 DBED COc1c(O)nc(O)nc1C(=O)N1CC2(CCN(CC#N)C2)C1 1073124400 LKLYMGJVMJGKPI-UHFFFAOYSA-N 319.321 -0.432 30 20 DBED C[C@@H]1CN(C(=O)CC(N)=O)CC[C@H]1NC(=O)CSCC#N 1073744756 PZUOQOQDIQMHGI-NXEZZACHSA-N 312.395 -0.528 30 20 DBED C=C(C)CCN1CCCO[C@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 1073751691 GLJOZIZWWHXLPF-OLZOCXBDSA-N 310.398 -0.159 30 20 DBED CC#CCN1CCCO[C@@H](CNC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 1073772259 JLLSKTNSMHGTSG-SOUVJXGZSA-N 321.421 -0.059 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(C(=O)Cn2nccn2)C[C@@H]1C 1073818284 YKZMXHQZOVAYSK-QWHCGFSZSA-N 321.381 -0.166 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)CCn3cncn3)C[C@@H]21 1074170021 HNBUHWQGNHZCDE-KBPBESRZSA-N 303.366 -0.397 30 20 DBED C=CCCN1CCO[C@@H]2CCN(C(=O)c3nnn(C)n3)C[C@H]21 1074317001 IRQWPSVXQHMRKH-VXGBXAGGSA-N 306.370 -0.299 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](NCCN2C(=O)CCC2=O)[C@@H]1C 1074568502 QCKUCWMRGSDPIQ-SRVKXCTJSA-N 306.366 -0.126 30 20 DBED C#CCN[C@H]1CCN(C(=O)[C@H]2CC(=O)N(CCOC)C2)[C@H]1C 1074675715 HNGSVQLAHPUZGE-IHRRRGAJSA-N 307.394 -0.307 30 20 DBED CCN(C(=O)CS(C)(=O)=O)C1CN(C(=O)C#CC(C)C)C1 1079419331 IXKFYZRHMNVUKT-UHFFFAOYSA-N 314.407 -0.250 30 20 DBED C=C[C@@](C)(O)CC(=O)N(CC)C1CN(C(=O)c2nc[nH]n2)C1 1079687012 NVJMCNNVMGMFBP-CQSZACIVSA-N 307.354 -0.195 30 20 DBED C=C(C)CCC(=O)N1C[C@@H](O)[C@H](CNC(=O)CC(=O)NC)C1 1081433115 GMVXEVNNLMKZQR-VXGBXAGGSA-N 311.382 -0.586 30 20 DBED C#CCN1C[C@@H](NC(=O)Cn2nc(C)ccc2=O)[C@H](OC)C1 1082336993 UHYQWRCYOCWTAZ-CHWSQXEVSA-N 304.350 -1.000 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCCc3nccn32)C1 1083522505 KAZCAYCIBCJJIR-RDBSUJKOSA-N 302.378 -0.055 30 20 DBED CN(C[C@@H]1CCN1CC#N)C(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 1085593286 GIGRCPRAWHXSNK-NEPJUHHUSA-N 316.365 -0.181 30 20 DBED Cn1cc([C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2NCC(N)=O)cn1 1086978385 TYXMCTGYOIPITO-UONOGXRCSA-N 315.377 -0.797 30 20 DBED C#CCCN1CC[C@@H]2CN(C(=O)CN3CCOCC3=O)C[C@@H]2C1 1087995321 FSUGRRFOLDWEAO-CABCVRRESA-N 319.405 -0.351 30 20 DBED C[C@@H](C[C@@H](C)N=c1cc[nH]cc1C#N)NC(=O)CNC(N)=O 1089214143 FXACVCQSKSNUDB-ZJUUUORDSA-N 304.354 -0.261 30 20 DBED C#CCN1C[C@@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C2CS(=O)(=O)C2)C1 1089805187 CHZUOOUWYRRYPX-MHEUCROKSA-N 322.430 -0.167 30 20 DBED CCN(CC)CC(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1O 1090430668 XBORHKMOLUANSL-CHWSQXEVSA-N 318.381 -0.644 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CCN(CC(=O)NC)C[C@H]2O)cc1 1090481313 AGLXFVQGBQQDAI-HUUCEWRRSA-N 315.373 -0.421 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(c2cc(C)nc(C)n2)C[C@@H]1O 1091152742 HDAARINYMXYDOV-YUTCNCBUSA-N 318.377 -0.203 30 20 DBED CCC(=O)NCC(=O)N[C@H]1CCN(c2nccnc2C#N)[C@@H]1C 1091944060 VIUJFCFQHFRGDN-MNOVXSKESA-N 316.365 -0.042 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCN(c2nc(C)ns2)C[C@H]1O 1092160980 BMTYBNHHJYEHDU-VXGBXAGGSA-N 324.406 -0.058 30 20 DBED C#CCN1CC(OC2CCN(C(=O)CS(C)(=O)=O)CC2)C1 1093513108 GKZDJGIHXGHTDA-UHFFFAOYSA-N 314.407 -0.644 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1CN[C@@H]1CCC(=O)NC1=O 1093762952 ONYGVCRMNJKTCZ-MRVWCRGKSA-N 317.389 -0.111 30 20 DBED N#Cc1cnc(NCCNC(=O)[C@@H]2CCCN(C(N)=O)C2)cn1 1093992970 WBBPWBQJQDXLLV-SNVBAGLBSA-N 317.353 -0.333 30 20 DBED C=CCN1CC(n2cc(CNC(=O)[C@H]3COCCN3C)nn2)C1 1094285181 DEKIIKFITYMYKX-CQSZACIVSA-N 320.397 -0.732 30 20 DBED C#CCCN1CC(N2C[C@@H](NC(=O)C3=COCCO3)CC2=O)C1 1094699632 REZNLGSQPZJZIF-LBPRGKRZSA-N 319.361 -0.701 30 20 DBED CN1CC[C@@H](C(=O)NCCCN=c2cc[nH]c(C#N)n2)C1=O 1094705619 RJJCJOSVAJCBNL-JTQLQIEISA-N 302.338 -0.833 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)[C@@H]3CCNC(=O)C3)CC2=O)C1 1094721108 VBUINJOGFYNJHQ-VXGBXAGGSA-N 320.393 -0.900 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)c3ccnn3CC)CC2=O)C1 1094730645 HALJSADJQAWVLG-GFCCVEGCSA-N 315.377 -0.449 30 20 DBED C=C(C)CN1CC(N2C[C@H](NC(=O)c3[nH]nnc3C)CC2=O)C1 1094771374 JMCZYXDRADQRJN-LLVKDONJSA-N 318.381 -0.296 30 20 DBED C#CCCN1CC(N2C[C@H](NC(=O)c3[nH]nnc3C)CC2=O)C1 1094771638 LSUCZIIVWKTGKP-LLVKDONJSA-N 316.365 -0.849 30 20 DBED N#Cc1ccc(N[C@@H]2CCN(C(=O)CNC(=O)C3CC3)C2)nn1 1095014955 GZAMOQGHMPRLNV-GFCCVEGCSA-N 314.349 -0.113 30 20 DBED CNS(=O)(=O)CC(=O)N1CC[C@@H](Nc2ccc(C#N)nc2)C1 1095040129 HFBVOYUJFPXTSY-GFCCVEGCSA-N 323.378 -0.485 30 20 DBED CN(CCCNC(=O)[C@H]1CC[C@@H]1C(N)=O)c1cnc(C#N)cn1 1095697090 WKIANECSQSAXFM-RYUDHWBXSA-N 316.365 -0.198 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CCCN(c2nccnc2F)C1 1096162736 PMUTYEZJNXKKEN-NSHDSACASA-N 319.340 -0.160 30 20 DBED N#Cc1cncc(N2CC[C@H](NC(=O)CCn3cncn3)C2)n1 1096315263 JTPHEGRJLLNVCR-NSHDSACASA-N 312.337 -0.275 30 20 DBED CN(C)CCOCC(=O)N[C@H]1CCN(c2nccnc2C#N)C1 1096401449 VBFJUWPHTQRVQZ-LBPRGKRZSA-N 318.381 -0.379 30 20 DBED C[C@H](CNC(=O)CCN1CCOCC1)Nc1cncc(C#N)n1 1097945872 XYHAWBQLXRKEKG-GFCCVEGCSA-N 318.381 -0.013 30 20 DBED Cn1ccc(CN2CC[C@@H](NC(=O)CSCC#N)[C@@H](O)C2)n1 1099690224 LSCROUUICZQADY-OLZOCXBDSA-N 323.422 -0.272 30 20 DBED N#CCNC(=O)CN1CC[C@@H](NC(=O)CC(F)(F)F)[C@H](O)C1 1099712738 QEZDJUHQVLDPJD-RKDXNWHRSA-N 322.287 -0.870 30 20 DBED N#CCNC(=O)CN1CC[C@H](NC(=O)/C=C/C2CC2)[C@H](O)C1 1099768583 GFSXRVCOUDWGDF-HORCIZIBSA-N 306.366 -0.856 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H](O)C1 1099782739 GAZBWAZXQGNALT-GJZGRUSLSA-N 316.361 -0.299 30 20 DBED CC#CCN1CC[C@H](NC(=O)COCc2ccnn2C)[C@H](O)C1 1099890143 NIZBEHPTOLBCDR-LSDHHAIUSA-N 320.393 -0.489 30 20 DBED COC(=O)[C@H]1C[C@H]1C(=O)NCCN(C)c1cncc(C#N)n1 1099961435 SXOQXPOMOKVPHH-MNOVXSKESA-N 303.322 -0.290 30 20 DBED CN1C[C@@H](C(=O)NCCN(C)c2ccc(C#N)nn2)CCC1=O 1100150923 YBCBNXUTAKMVMY-NSHDSACASA-N 316.365 -0.231 30 20 DBED CN(CCNC(=O)[C@H]1CCNC1=O)c1ncc(C#N)cc1F 1100270114 FZMMGIIBZWQHTI-JTQLQIEISA-N 305.313 -0.219 30 20 DBED C#CCNC(=O)[C@H](C)NC1CC(CNC(=O)c2cccnn2)C1 1100777578 WNCLWQRQOLAPAO-HIFPTAJRSA-N 315.377 -0.288 30 20 DBED C#CCNC1CC(CNC(=O)CNC(=O)c2cscn2)C1 1100833726 AGSXIKWGNGDDMI-UHFFFAOYSA-N 306.391 -0.010 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CCN(c2ncnc3c2nnn3C)C1 1100949694 FXCBFBKGWMQHSQ-NXEZZACHSA-N 314.353 -0.140 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H]1CCN(c2ncccn2)C1 1100973466 FVUWPFVNSOCIKC-GFCCVEGCSA-N 301.350 -0.441 30 20 DBED CC(C)(C(N)=O)C(=O)NC[C@@H]1CCN(c2cncc(C#N)n2)C1 1101023136 XNHZYJHSEQZVGU-JTQLQIEISA-N 316.365 -0.198 30 20 DBED C=CCOCCNC1CC(CNC(=O)C[C@@H]2CC(=O)NC2=O)C1 1101083037 KWMUQYGJTFKTHC-OTTFEQOBSA-N 323.393 -0.274 30 20 DBED CCCN(CCNC(=O)Cn1ncnn1)c1nccnc1C#N 1101191197 VCSFKFUNCOLQEU-UHFFFAOYSA-N 315.341 -0.632 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](C)CNC(=O)c2nnn(C)n2)n1 1104181558 FANRGSTZCIJWPL-QMMMGPOBSA-N 315.341 -0.342 30 20 DBED CC(C)[C@@H](CNC(=O)c1cn(C)nn1)N=c1cc[nH]c(C#N)n1 1105169876 ZWPTVMXAAZODAF-SNVBAGLBSA-N 314.353 -0.235 30 20 DBED Cc1nsc(N(C)CCN(C)C(=O)Cn2cnnn2)c1C#N 1105344656 QCFZURHQJDSEAD-UHFFFAOYSA-N 320.382 -0.096 30 20 DBED CN(CCN(C)c1cnc(C#N)cn1)C(=O)[C@@H]1CC[C@H]1C(N)=O 1105521061 ARMYIPMANDJXJB-VXGBXAGGSA-N 316.365 -0.246 30 20 DBED CC(C)(C)C(=O)C(=O)NC[C@H](O)CN=c1cc[nH]cc1C#N 1105765775 FUPQECHOTQEXLU-LLVKDONJSA-N 304.350 -0.121 30 20 DBED N#Cc1nccnc1NC[C@H](O)CNC(=O)c1ccnc(O)c1 1105818658 OEHLZJYPHYMLCU-JTQLQIEISA-N 314.305 -0.348 30 20 DBED Cc1ccc(C#N)c(NC[C@H](O)CNC(=O)[C@@H]2COC(=O)N2)n1 1105835056 FIBASGWXPAXNEK-QWRGUYRKSA-N 319.321 -0.741 30 20 DBED Cn1cncc1CC(=O)NC[C@@H](O)CNc1ccc(C#N)nc1 1105914369 VBKXOGAWUCNVHI-AWEZNQCLSA-N 314.349 -0.182 30 20 DBED CCn1cnc(C(=O)NC[C@H](O)CN=c2cc[nH]cc2C#N)c1 1105916245 JHOZWTJJJNQHIA-GFCCVEGCSA-N 314.349 -0.206 30 20 DBED Cc1nn[nH]c1C(=O)NC[C@@H](O)CN=c1cc[nH]cc1C#N 1106035495 ITGITAOQZWZVTN-JTQLQIEISA-N 301.310 -0.996 30 20 DBED CN1CCCC[C@H]1C(=O)NC[C@H](O)CNc1nccnc1C#N 1106057430 BORLPOMDGOAGKH-YPMHNXCESA-N 318.381 -0.278 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)C[C@H]1C 1106897665 KSAFVHMIIFSICG-MCIONIFRSA-N 307.394 -0.401 30 20 DBED CNC(=O)CN1CCO[C@@](C)(CNC(=O)c2cc(C#N)c[nH]2)C1 1107849029 UUKKYKZMIAUSFE-HNNXBMFYSA-N 319.365 -0.547 30 20 DBED CNC(=O)[C@@H](C)N1CCO[C@@](C)(CNC(=O)C#CC(C)C)C1 1107926248 DBYVULSVSZYGOA-CJNGLKHVSA-N 309.410 -0.013 30 20 DBED CC(=O)N1CC(C(=O)N[C@@H](C)CNc2nccnc2C#N)C1 1108330026 BQCIPMZVQGESQX-VIFPVBQESA-N 302.338 -0.257 30 20 DBED C[C@@H](CNc1ccc2nnnn2n1)NC(=O)c1ccc(C#N)[nH]1 1108345758 HVLGUINDDAKBPC-QMMMGPOBSA-N 311.309 -0.051 30 20 DBED C[C@@]1(CNC(=O)c2c[nH]c(C(N)=O)c2)CN(CC#N)CCO1 1108401811 UPLNASNRYANYMY-CQSZACIVSA-N 305.338 -0.542 30 20 DBED CC#CCN1CCO[C@@](C)(CNC(=O)[C@@H]2CCCN2C(N)=O)C1 1108439254 FLZSABGUVPCRFT-BBRMVZONSA-N 322.409 -0.240 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)CCn3cccn3)CC2=O)C1 1108506644 WUPQRNPWUVSNHE-ZDUSSCGKSA-N 315.377 -0.692 30 20 DBED CN(CCCNc1cnc(C#N)cn1)C(=O)[C@@H]1CCNC1=O 1109578527 GWCFHCRQESHBJG-LLVKDONJSA-N 302.338 -0.255 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@]1(O)CCN(c2cnc(F)cn2)C1 1111098318 QKRQZHOPIFTTBU-XHDPSFHLSA-N 322.340 -0.289 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CC[C@H]1NC(=O)NC1=O 1111376694 ZBKKSKXZBLZNPD-KKOKHZNYSA-N 304.350 -0.671 30 20 DBED Cc1c[nH]nc1C(=O)N(CCO)CCN=c1cc[nH]cc1C#N 1111463785 PYGPBHXEUMJCFC-UHFFFAOYSA-N 314.349 -0.047 30 20 DBED COCC#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC(=O)N2)C1 1111946272 PSOMYEUADKFYPQ-ZQIUZPCESA-N 319.405 -0.115 30 20 DBED COC(=O)NCC(=O)N1C[C@@H](NCC#N)[C@H](C(F)(F)F)C1 1112057609 CIBDRGDRFPQMLL-HTQZYQBOSA-N 308.260 -0.155 30 20 DBED COCCC(=O)NC[C@H]1CN(c2ncccc2C#N)C[C@H]1O 1112688060 ADGKCCDDOZIYSL-QWHCGFSZSA-N 304.350 -0.097 30 20 DBED Cc1cc(C#N)nc(NCC2CC(NC(=O)CC(N)=O)C2)n1 1112825247 CQCCYVOWHZBGBG-UHFFFAOYSA-N 302.338 -0.161 30 20 DBED CN(C)C(=O)CC(=O)NC1CC(CN=c2cc[nH]c(C#N)n2)C1 1112872717 CWGSASMCPUOBBO-UHFFFAOYSA-N 316.365 -0.445 30 20 DBED C[C@H](CNC(=O)Cn1cncn1)N(C)c1nccnc1C#N 1113609957 ZSYAJTSQXVQANS-SNVBAGLBSA-N 300.326 -0.419 30 20 DBED C[C@@H](CC(N)=O)C(=O)NC[C@H](C)N(C)c1cnc(C#N)cn1 1113799304 BRGKLHTUECVHIH-UWVGGRQHSA-N 304.354 -0.199 30 20 DBED Cc1cc(C(=O)N[C@H]2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]32)n(C)n1 1113942416 OCTCEXPQALSXQC-YABSGUDNSA-N 316.365 -0.972 30 20 DBED C=CCOCC(=O)NC1[C@@H]2CN(CCN3C(=O)CCC3=O)C[C@@H]12 1114034823 MKOYETRRWLPDIV-VXGBXAGGSA-N 321.377 -0.616 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@H]2CN(CCCCCOC)C[C@H]12 1114170857 YORYJMKQLQCYFF-KBPBESRZSA-N 321.421 -0.011 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)c3cc(OC)ncn3)[C@H]2C1 1114287480 LOOIZGAPMFRVOU-JYAVWHMHSA-N 316.361 -0.205 30 20 DBED C#CCN1C[C@H]2C(NC(=O)[C@H](Cn3cccn3)N(C)C)[C@@H]2C1 1114404833 ICPAPSDDOYLINF-MCIONIFRSA-N 301.394 -0.507 30 20 DBED C#CCCN1C[C@H]2[C@H](NC(=O)CCCn3c(O)nnc3O)[C@H]2C1 1114494029 RIVHOKWZWHZCPI-PJXYFTJBSA-N 319.365 -0.461 30 20 DBED COCC#CCN1C[C@@H]2C(NC(=O)c3coc(OC)n3)[C@H]2C1 1114624320 PSFMBKYLFJVRLK-QWRGUYRKSA-N 305.334 -0.007 30 20 DBED Cc1nc(C(=O)NC2[C@H]3CN(CC(=O)NCC#N)C[C@H]23)cs1 1114731278 RPVCRIBRKQRIFE-UWVGGRQHSA-N 319.390 -0.249 30 20 DBED C=C(C)CN(CC)C(=O)[C@H](C)N1C[C@@H]2C(NC(=O)C(N)=O)[C@H]2C1 1114754633 FHRVJKSXJLHFLR-SRVKXCTJSA-N 322.409 -0.669 30 20 DBED C#CCN1C[C@H]2C(NC(=O)CNS(=O)(=O)CCCC)[C@@H]2C1 1115181016 URZLALSCCMKNDB-VXGBXAGGSA-N 313.423 -0.615 30 20 DBED C=C(C)CN1C[C@H]2[C@H](NC(=O)CCS(=O)(=O)N(C)C)[C@H]2C1 1115282154 JRKMQMOUEYMGLD-IMRBUKKESA-N 315.439 -0.110 30 20 DBED C[C@H](CN(C)C(=O)Cn1cnnn1)Nc1cnc(C#N)cn1 1115603504 UHQSPSPLAHMVSX-SECBINFHSA-N 301.314 -0.706 30 20 DBED CN1CCN(CC(=O)NCC2(NCC#N)CCCCC2)CC1=O 1115606657 LJTITYOMHIKMHU-UHFFFAOYSA-N 321.425 -0.307 30 20 DBED C#CCNC(=O)CNC1(CNC(=O)c2cnn[nH]2)CCCCC1 1115612908 QGEOEEMZLSBJHQ-UHFFFAOYSA-N 318.381 -0.424 30 20 DBED C=CCn1cc(CNC(=O)N(C)CCNS(C)(=O)=O)nn1 1118170387 WEKRSNMZSGZTMZ-UHFFFAOYSA-N 316.387 -0.845 30 20 DBED CNCCCc1[nH]nc(NC(=O)[C@@H]2CC[C@@H]2C(N)=O)c1C#N 1118752658 RXESHFWDKLEKBH-DTWKUNHWSA-N 304.354 -0.117 30 20 DBED C[C@@H](CN(C)C(=O)Cn1ncnn1)Nc1ccc(C#N)nn1 1120128115 GQEYTJQQTYWOMZ-VIFPVBQESA-N 301.314 -0.706 30 20 DBED N#Cc1cncc(N[C@@H](CO)CNC(=O)[C@H]2CCCOC2)n1 1121203811 AZQWBYAUKPKQEE-CMPLNLGQSA-N 305.338 -0.336 30 20 DBED Cc1nonc1C(=O)NC[C@@H](CO)Nc1nccnc1C#N 1121735672 YKEJBXREVZHNFY-QMMMGPOBSA-N 303.282 -0.758 30 20 DBED N#Cc1cncc(N[C@H](CO)CNC(=O)Cc2cscn2)n1 1122652496 PZJOCNOXIPSHOX-NSHDSACASA-N 318.362 -0.064 30 20 DBED N#CCSCC(=O)NCCNCC(=O)NC1CCOCC1 1123787899 XGHQPPFHHIBYBA-UHFFFAOYSA-N 314.411 -0.756 30 20 DBED C=C(CN(C)C)C(=O)N[C@@H]1CCN(c2cc(=O)n(C)c(O)n2)C1 1123978245 MIVKRVIQMIEQRC-LLVKDONJSA-N 321.381 -0.701 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)c1cc(F)c[nH]1 1124596719 QEGZQYSSLQJWGE-SNVBAGLBSA-N 318.312 -0.218 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)c2ccnc(O)c2)C1=O 1125606250 XSCQITHTMQOMDH-LBPRGKRZSA-N 304.350 -0.107 30 20 DBED N#CCOc1ccc(CNCCNC(=O)[C@@H]2COC(=O)N2)cc1 1126548368 JSPUZWIMJFXCAY-ZDUSSCGKSA-N 318.333 -0.097 30 20 DBED CN(CCOCCNc1cncc(C#N)n1)C(=O)c1cnn[nH]1 1127514904 IOUFOCWONKVPSP-UHFFFAOYSA-N 316.325 -0.333 30 20 DBED C#CCN[C@@H]1CN(C(=O)C[C@](C)(O)C=C)C[C@@H]1n1ccnn1 1129789096 UIJNTVMRHYCUPK-VNHYZAJKSA-N 303.366 -0.420 30 20 DBED C=C[C@@](C)(O)CC(=O)N1C[C@H](n2ccnn2)[C@H](NCCCO)C1 1129795091 AQDQYRAQPVGUQV-VNHYZAJKSA-N 323.397 -0.671 30 20 DBED C#CCCN1CC[C@H](c2n[nH]cc2CNC(=O)CNC(C)=O)C1 1130337996 OYNLTHCLLNJANN-ZDUSSCGKSA-N 317.393 -0.025 30 20 DBED C=CCC[C@@H](C)NCCNC(=O)CN1C(=O)C(=O)N(C)C1=O 1134714322 KVHZTAZEJUGAII-SNVBAGLBSA-N 310.354 -0.533 30 20 DBED C#CCN[C@H](C)C[C@@H](C)NC(=O)CN1CCCCS1(=O)=O 1135009136 SPGMRSMOIHVUNO-CHWSQXEVSA-N 315.439 -0.082 30 20 DBED N#CCNC(=O)CNCCNC(=O)Cn1ncc2ccccc21 1135448262 RFMKTLASQACXKJ-UHFFFAOYSA-N 314.349 -0.618 30 20 DBED CC#CCN[C@@H](C)C[C@@H](C)NC(=O)c1cn(C)c(=O)n(C)c1=O 1135596148 JZIFNMVXAIKERS-NWDGAFQWSA-N 320.393 -0.406 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)C[C@H](C)COC 1136118946 HYOJEFIQAJONHS-NSHDSACASA-N 314.386 -0.623 30 20 DBED C=CCNC(=O)CNCCNC(=O)C(=O)N1CCC[C@@H]1CC 1147047008 VQAHICZFSLZIRT-LBPRGKRZSA-N 310.398 -0.605 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CCCCN(C)C1=O 1147639738 YQPOCRCRHLPWJM-STQMWFEESA-N 324.425 -0.359 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)CCN2C(=O)CCC2=O)C1 1149954704 VZFHHXFNTSDTIM-ZDUSSCGKSA-N 321.377 -0.634 30 20 DBED CC#CCN1CCCO[C@@H](CNC(=O)CCc2cn(C)nn2)C1 1150830225 DOXRPSKMLJGBLY-HNNXBMFYSA-N 319.409 -0.022 30 20 DBED C#CCN1CCC(C(=O)NCCNCC(=O)N(C)C(C)C)CC1 1152334896 UVVLYPIDGWNUQF-UHFFFAOYSA-N 322.453 -0.096 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)c1cnc(O)n1C 1154631379 LEIPLJJCHFJPLJ-LLVKDONJSA-N 321.381 -0.685 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)c1cnn(CC)n1 1157526825 VFIBIQRTIZAKIS-NSHDSACASA-N 308.386 -0.302 30 20 DBED C=CCOCCNCCCNC(=O)[C@@H](C)NS(=O)(=O)CC 1158565835 DKJFYMKITWJIJC-GFCCVEGCSA-N 321.443 -0.387 30 20 DBED CO[C@H]1CCC[C@H](C(=O)NCCCNCC(=O)NCC#N)C1 1165386261 CAGCKCCSQFEGJW-STQMWFEESA-N 310.398 -0.073 30 20 DBED C=C(Cl)CNCCCNC(=O)CN1CCC(=O)NC1=O 1170339694 GJXPOCWJIOHANG-UHFFFAOYSA-N 302.762 -0.223 30 20 DBED C#Cc1ccc(C(=O)NCCCNCCN2CCNC2=O)nc1 1171590248 YSNJPGJAUSTFFP-UHFFFAOYSA-N 315.377 -0.202 30 20 DBED C#CCCN1CCO[C@@H]2CCN(C(=O)CC(=O)N(C)C)C[C@H]21 1177108195 ZDGOQLIEMGOHAH-ZIAGYGMSSA-N 307.394 -0.210 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)c2ccnn2C)[C@H]1C 1178275180 AVKFPWAQYSTBBC-AVGNSLFASA-N 317.393 -0.249 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@H](NCCn2cncn2)[C@@H]1C 1178675518 SVMJKOANJVKOJK-IHRRRGAJSA-N 305.382 -0.105 30 20 DBED N#CCNC[C@@H]1CN(C(=O)Cn2nccn2)CC12CCOCC2 1186394563 WBCORENJWRNMNC-CYBMUJFWSA-N 318.381 -0.354 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2c[nH]nc2C2CC2)C1 1186747391 JVOSDNKMQQPRHG-GFCCVEGCSA-N 315.377 -0.159 30 20 DBED N#CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3ncccn3)[C@@H]2C1 1189491861 HNBHFSYIYDJBKK-NWDGAFQWSA-N 314.349 -0.737 30 20 DBED COCC#CCN(C)[C@@H]1CCN(C(=O)c2cnnc(O)c2)C1 1190799731 FAVPOSPIKLJQNB-CYBMUJFWSA-N 304.350 -0.022 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@@H]1CCN(C(=O)c2cnco2)C1 1191617307 MGBHLHUPDICPMW-VXGBXAGGSA-N 304.350 -0.041 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)[C@H]2CCN(C)C2=O)C1 1191840085 SXBDHIIREGPYNA-OLZOCXBDSA-N 322.409 -0.700 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)CCCC(=O)NC)C1 1192403780 CLUCEOIIKUBKDG-GHMZBOCLSA-N 303.790 -0.184 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(CC(=O)NCC2CC2)C[C@H]1O 1192752040 SJAZPWRMTHYIPH-ZIAGYGMSSA-N 307.394 -0.667 30 20 DBED C=CCNC(=O)[C@H](C)N(C)[C@@H]1CCN(C(=O)CCCC(N)=O)C1 1194482580 ADCSXVYGAWBACL-QWHCGFSZSA-N 324.425 -0.135 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)C1 1195171772 BCGOBRHXSKHUJR-YNEHKIRRSA-N 309.410 -0.278 30 20 DBED CCc1cc(C(=O)N[C@@H]2CN(CC#CCOC)C[C@H]2O)no1 1197912384 AAXCGBYFPCFXRQ-ZIAGYGMSSA-N 307.350 -0.338 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)c2c(C)nn(C)c2F)C1 1198225317 GMJINUXLSPRQBT-VXGBXAGGSA-N 324.356 -0.708 30 20 DBED CCN(CCC#N)C(=O)CNC1CCN(C(=O)CC(N)=O)CC1 1199912628 ZSWWDZHNMMLAQM-UHFFFAOYSA-N 323.397 -0.795 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)CN2CCOCC2)CC1 1200118930 WZBSNCKJZBFEGN-UHFFFAOYSA-N 324.425 -0.799 30 20 DBED CCN1CCO[C@H](C(=O)N2CCCO[C@H](CNCC#N)C2)C1 1202115853 OJGBDERRAHSDQY-KGLIPLIRSA-N 310.398 -0.562 30 20 DBED C#CCN[C@H]1C[C@@H](NC(=O)CCn2ncn(C)c2=O)C12CCC2 1203221653 LMWAKVSDWSQVTK-QWHCGFSZSA-N 317.393 -0.378 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)[C@@H](C)NC(C)=O)CC1 1204394562 YLWSIWKBDKZRAQ-GFCCVEGCSA-N 322.409 -0.911 30 20 DBED C=CCOCC(=O)N1CCC[C@H](NCC(=O)NC(=O)NC)C1 1207683767 HJDYDERPUNKBKY-NSHDSACASA-N 312.370 -0.775 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)[C@H]2CCN(C)C2)[C@H](C)C1 1211026299 YUNGNIMOPWPAMC-HZSPNIEDSA-N 308.426 -0.323 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(CCn2cncn2)C[C@H]1OC 1212262293 KPQNBWZZFQIFMQ-ZIAGYGMSSA-N 321.381 -0.867 30 20 DBED Cc1cnoc1C(=O)N1C[C@@H](NCC(=O)NCC#N)[C@H](C)C1 1216197856 VIJXVNKOFFNICA-GHMZBOCLSA-N 305.338 -0.327 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)C[C@@](C)(O)C2CC2)C1 1219480240 OUUDMNZDSNJCIO-IJEWVQPXSA-N 310.394 -0.651 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(CC(=O)N2CCCCC2)C[C@@H]1O 1219532374 WUQZGDHVQLWJRB-CABCVRRESA-N 321.421 -0.036 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(C[C@H](O)COC)C[C@@H]2O)cc1 1220116696 DPQIJKFYZOVVGQ-XHSDSOJGSA-N 318.373 -0.550 30 20 DBED C=C(C)C(C)(C)C(=O)N[C@@H]1CN(C[C@H](O)COC)C[C@@H]1O 1220134092 XYIKRBMQSXOMOD-XQQFMLRXSA-N 300.399 -0.243 30 20 DBED C#CCOCCC(=O)N1C[C@H]2CCN([C@@H](C)C(=O)NC)C[C@H]21 1221546267 NUSARUJTEYLIJT-BFHYXJOUSA-N 307.394 -0.307 30 20 DBED C=CCN1CCC(CNC(=O)Cn2nc(C)n(C)c2=O)CC1 1225318003 RMMSEONJIWAGJK-UHFFFAOYSA-N 307.398 -0.096 30 20 DBED CN1CC[C@@H](C(=O)NCC2CCN(CC(=O)NCC#N)CC2)C1 1225428247 YYNWSHIVPOKUJW-CQSZACIVSA-N 321.425 -0.594 30 20 DBED Cc1n[nH]cc1C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCC#N 1227870484 WBLKLHXGFUXAFR-CHWSQXEVSA-N 318.381 -0.012 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C[C@@H]1CCN1Cc1nnnn1C 1234216479 YEWKTDROPHIGOS-NEPJUHHUSA-N 306.370 -0.719 30 20 DBED Cc1cc(NC(=O)C(=O)NC[C@H]2CCCNC2=O)ncc1C#N 1261548684 YGFSFHVFANHIIQ-SNVBAGLBSA-N 315.333 -0.157 30 20 DBED COC[C@H](O)CNC[C@@H](O)CNC(=O)CC#Cc1ccccc1 1320316946 ZUROGVVPLVLDDA-HZPDHXFCSA-N 320.389 -0.498 30 20 DBED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2cnn(C)c2)CC1 1322184520 UYWJBKPBUCXWIJ-UHFFFAOYSA-N 317.349 -0.653 30 20 DBED C=CCn1cc(CNC(=O)C(=O)NCCN(CC)C(C)C)nn1 1325987197 YFOLLYQHZXINIW-UHFFFAOYSA-N 322.413 -0.073 30 20 DBED Cc1csc2ncc(C(=O)NCC(=O)NCC#N)c(=O)n12 1327016041 ZASAYODLRIYBOW-UHFFFAOYSA-N 305.319 -0.566 30 20 DBED COCCn1cc(CNC(=O)C(=O)NCCCCC#N)cn1 1327173994 IJIZWNXDHVBRIB-UHFFFAOYSA-N 307.354 -0.044 30 20 DBED CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCO[C@H](C#N)C1 1327184986 OCEIFAVFJQAYQP-HZSPNIEDSA-N 320.393 -0.177 30 20 DBED CCn1cccc(CNC(=O)C(=O)N2CC[C@](F)(C#N)C2)c1=O 1327515381 YGCYRANMLNFVEL-HNNXBMFYSA-N 320.324 -0.051 30 20 DBED C#CCOCCNC(=O)C(=O)N1C[C@@H](C(=O)OC)[C@H](C2CC2)C1 1328930102 OOIFMZFFVRPQJX-QWHCGFSZSA-N 322.361 -0.590 30 20 DBED C#CCOCCn1nnnc1N1CCOCC2(CCOCC2)C1 1335755910 KRZHQVUFDIOBJQ-UHFFFAOYSA-N 321.381 -0.044 30 20 DBED CNS(=O)(=O)N1CCC(C(=O)OCCO[C@H](C)C#N)CC1 1341126783 ZZJUALLFBQWJNM-SNVBAGLBSA-N 319.383 -0.366 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@H]1O 1341364578 IKCPJCGXQSXCKR-MGPQQGTHSA-N 309.410 -0.182 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N1CC[C@@H](C(=O)OCC)C1 1341710138 YTMVOLSYXGZYES-OLZOCXBDSA-N 324.377 -0.057 30 20 DBED C#CCCCCNC(=O)C(=O)NCCS(=O)(=O)CC=C 1342364560 OFXRNKURSBOKLB-UHFFFAOYSA-N 300.380 -0.377 30 20 DBED CC(C)(CCO)CNC(=O)CCn1cc(C#N)c(O)nc1=O 1362439271 ONCSCWGEDBETNE-UHFFFAOYSA-N 308.338 -0.265 30 20 DBED CS(=O)(=O)C1CN(C(=O)CNC(=O)c2ccc(C#N)cc2)C1 1362864107 BAPZMCMZTQWGEB-UHFFFAOYSA-N 321.358 -0.457 30 20 DBED COC(=O)C1(C#N)CCN(C(=O)Cn2cnc(C#N)n2)CC1 1362912523 AQZAGGABNPOREI-UHFFFAOYSA-N 302.294 -0.545 30 20 DBED C[C@H](C(=O)N1CC[C@@H](c2nncn2C)C1)n1cnc(C#N)n1 1363355098 MUYJTJIQIYJFLJ-NXEZZACHSA-N 300.326 -0.145 30 20 DBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCOCN1 1363524856 UEQQKUKJMMYCLJ-SNVBAGLBSA-N 324.362 -0.454 30 20 DBED COC(=O)C1(C#N)CCN(S(=O)(=O)[C@H]2CCOC2)CC1 1363883687 UWVUELFQQLYFBJ-JTQLQIEISA-N 302.352 -0.116 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1ccc2[nH]ccc2n1 1376653338 KSESTYKVKRKSJQ-UWVGGRQHSA-N 315.333 -0.071 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CN(C)C(=O)CCc1cnccn1 1383075965 JCKXEVPIUXMMSI-AAEUAGOBSA-N 319.365 -0.496 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)[C@@H]2CCc3nncn3C2)CC1 1389960747 NCJRCNPBRQUBID-WDEREUQCSA-N 316.365 -0.235 30 20 DBED Cn1cccc1C(=O)NC[C@@H](O)CNC(=O)c1c[nH]c(C#N)c1 1399788138 PKFVETGCRSDCSY-LBPRGKRZSA-N 315.333 -0.254 30 20 DBED CCOCC(=O)N[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1O 1406371109 KCHSDOVDYQONEM-NEPJUHHUSA-N 306.322 -0.776 30 20 DBED N#Cc1cn(CCC(=O)N[C@H]2CC23CCOCC3)c(=O)nc1O 1412157236 HMLCXDAMMJVGPE-NSHDSACASA-N 318.333 -0.104 30 20 DBED C[C@H](O)[C@@H]1CCCCN1C(=O)CCn1cc(C#N)c(O)nc1=O 1412739057 NQGLLLCNPYQTQG-JQWIXIFHSA-N 320.349 -0.027 30 20 DBED C[C@H](C#N)C(=O)N(C)CCN1CCN([C@H]2CCN(C)C2=O)CC1 1420902085 RKTMDIIRIDMTNB-KGLIPLIRSA-N 321.425 -0.547 30 20 DBED C[C@@H](C#N)C(=O)N(CCNC(=O)CCS(C)(=O)=O)C1CC1 1429939188 ZHTIFYWKTJKYCM-JTQLQIEISA-N 315.395 -0.312 30 20 DBED CC[C@@H](CNC(=O)CCn1ncn(C)c1=O)NC(=O)[C@@H](C)C#N 1430662675 WMYZJWXQGRMRJK-QWRGUYRKSA-N 322.369 -0.857 30 20 DBED C[C@H](C#N)C(=O)N(C)CCN(C)C(=O)CCNS(C)(=O)=O 1431398706 PDFDPDKRWUKQPZ-SNVBAGLBSA-N 318.399 -0.998 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C)C(=O)[C@H]1CCS(=O)(=O)C1 1431476949 CTQSWUFSTRCGCX-UWVGGRQHSA-N 301.368 -0.845 30 20 DBED CC(=O)N1CCC[C@@H](C(=O)N2CC(CNC(=O)[C@H](C)C#N)C2)C1 1432477546 UEMGKHYVEPUUHL-BXUZGUMPSA-N 320.393 -0.021 30 20 DBED CC[C@H](CNC(=O)c1cn(CCOC)nn1)NC(=O)[C@H](C)C#N 1432699714 ZKCWVKDIZGHINH-GHMZBOCLSA-N 322.369 -0.291 30 20 DBED CC(=O)CCCC(=O)NC[C@H](O)CNC(=O)c1ccc(C#N)[nH]1 1433243458 NKZRCSNJTPDLFT-LBPRGKRZSA-N 320.349 -0.147 30 20 DBED CN(CCNC(=O)CCn1cnnn1)c1ccc(C#N)cn1 1439243330 INMKUZBUXSCMDK-UHFFFAOYSA-N 300.326 -0.418 30 20 DBED C[C@H](C#N)C(=O)NCCN(C)C(=O)c1ccn(CCN(C)C)n1 1449182497 AKWQWJZZRCZFLJ-GFCCVEGCSA-N 320.397 -0.207 30 20 DBED CS[C@H](C)C(=O)NC[C@H](O)CNC(=O)c1cc(C#N)c[nH]1 1452289348 OOXKFPRKZNQPMA-SCZZXKLOSA-N 310.379 -0.155 30 20 DBED CNC(=O)NCC(=O)N[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 1453547126 NIVQMMGXTXKKIV-SNVBAGLBSA-N 318.337 -0.854 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CCCN(Cc2nc(=O)n(C)[nH]2)C1 1481524637 LCTYLGIMKXPCCT-ABAIWWIYSA-N 323.397 -0.484 30 20 DBED C[C@H](C#N)C(=O)NCC1(C)CCN([C@H](C)C(=O)NC(N)=O)CC1 1484133153 BLEMYYKDZNLJFC-GHMZBOCLSA-N 323.397 -0.052 30 20 DBED CCN(CC(=O)NC(N)=O)CC1CCN(C(=O)[C@H](C)C#N)CC1 1485029300 NGVQXWICOBNZPC-LLVKDONJSA-N 323.397 -0.099 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCN(C)CCN1CCCS1(=O)=O 1496679343 KEBKDKURNPMZRW-LBPRGKRZSA-N 316.427 -0.428 30 20 DBED C[C@H](C#N)C(=O)NC[C@](C)(NC(=O)Cn1ncnn1)C1CC1 1531724246 CDFCTTLAUFZWIA-RNCFNFMXSA-N 305.342 -0.766 30 20 DBED C#CCN(C(=O)NC[C@@H]1CC(C(N)=O)=NO1)C1CCNCC1 1574590499 ANSCNNSMMRPOJF-NSHDSACASA-N 307.354 -0.987 30 20 DBED C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1CCN 1574667522 SYDANLKRIIAKKZ-UHFFFAOYSA-N 320.397 -0.555 30 20 DBED CC#CC[C@@H](N)C(=O)N[C@H](CO)C(=O)OCc1ccccc1 1574973518 WLRUKQBRFCDWPB-ZIAGYGMSSA-N 304.346 -0.052 30 20 DBED CNC(=O)[C@@H]1CCC[C@@H]1Nc1cnc(C#N)c(-c2nn[nH]n2)n1 1579386256 FOVRMEHQGIEMSO-SFYZADRCSA-N 313.325 -0.145 30 20 DBED C#CCN(CC(=O)O)c1nnc([C@@H]2C[C@@H](O)CN2C)n1CC=C 1588426758 BGPNRFNFUWYJCR-NEPJUHHUSA-N 319.365 -0.274 30 20 DBED C#CCCN1CCN(CCN(C)C(=O)[C@H]2C[C@H]2C(=O)O)CC1 1588453809 VDYBZEONSNSXDC-UONOGXRCSA-N 307.394 -0.194 30 20 DBED C[C@@](O)(CNC(=O)C(=O)Nc1ccc(C#N)c(F)c1)C(=O)O 1589138869 VPRSRJJKNZTYPH-CYBMUJFWSA-N 309.253 -0.412 30 20 DBED CC1(C#N)CCN(C(=O)C(=O)N2CCO[C@H](C(=O)O)C2)CC1 1589181836 RBJNSNJECZZFIA-JTQLQIEISA-N 309.322 -0.549 30 20 DBED CC(C)[C@@](C)(C#N)NC(=O)CN1CCNC(=O)[C@@H]1CC(=O)O 1590961715 WYAKWBYIXBQHAS-IINYFYTJSA-N 310.354 -0.684 30 20 DBED C[C@@H](CC(=O)O)C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1592336057 BYXKXXLXGIVYQK-ZETCQYMHSA-N 306.278 -0.685 30 20 DBED CN(CCOCCNC(=O)C#CC1CC1)C(=O)[C@@H]1C[C@H]1C(=O)O 1598498140 ROLHTPSONDVSLM-CHWSQXEVSA-N 322.361 -0.288 30 20 DBED COCCc1nc(Cn2cnc(C#N)c2-c2nn[nH]n2)no1 1605122693 DYONLCXZFRIQRE-UHFFFAOYSA-N 301.270 -0.445 30 20 DBED Cc1csc(NC(=O)NCC(=O)NCC#N)c1-c1nn[nH]n1 1606003759 MYBLRZKNIVLVED-UHFFFAOYSA-N 320.338 -0.002 30 20 DBED Cc1nc(-c2nn[nH]n2)c(C#N)n1CC(=O)NC(=O)NC1CC1 1609445352 CPZAKXLQEKXZMR-UHFFFAOYSA-N 315.297 -0.769 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)C2(C)CCOCC2)C1 1713960004 NREKOIIKXJNBMU-ZDUSSCGKSA-N 307.394 -0.257 30 20 DBED Cc1cc(C(=O)NC[C@H](NCC(=O)NCC#N)C2CC2)n[nH]1 1752449590 HWPNXTHZIBPIRW-LBPRGKRZSA-N 304.354 -0.544 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@H](NCCN2C(=O)NC(C)(C)C2=O)C1 1752622002 KGXYMMZAALZBJD-DCAQKATOSA-N 321.381 -0.287 30 20 DBED C[C@@H](Cc1cnn(C)c1)C(=O)NCCN(C)CC(=O)NCC#N 1753069370 FYMWGMUSNNDDSS-LBPRGKRZSA-N 320.397 -0.714 30 20 DBED C#CCN1CCC[C@@H]1CNC(=O)C[C@]1(C)CCS(=O)(=O)N1 1753117114 VZGMMCMDGXSXFZ-OCCSQVGLSA-N 313.423 -0.328 30 20 DBED C=CCN1CCN(CCN(C)C(=O)[C@H]2CN(CC)CCO2)CC1 1753344357 BSJDOJPXMNEIPZ-MRXNPFEDSA-N 324.469 -0.031 30 20 DBED COCC#CCN1CC2(CCN(C(=O)C3(C(N)=O)CC3)CC2)C1 1753674736 DCTUFWDXUVGDFT-UHFFFAOYSA-N 319.405 -0.174 30 20 DBED CC#CCNC[C@H](C)N(C)C(=O)[C@@H](C)NS(=O)(=O)CC 1753692013 HVURLDWVAGMJOI-NWDGAFQWSA-N 303.428 -0.226 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@@H](C)N(C)C(=O)c1ccnc(C)n1 1753726440 MJLFXTXLPSZWNO-NEPJUHHUSA-N 317.393 -0.027 30 20 DBED C#CCNC(=O)CNC[C@H](O)CNC(=O)[C@@H]1[C@H]2CCCC[C@H]21 1753916461 PNTOBZKVDIFZLX-RMRHIDDWSA-N 307.394 -0.761 30 20 DBED C#CCNC(=O)[C@@H](C)NCCN(CC)C(=O)Cn1cncc1C 1754057547 XWZOECPRRWKCLQ-CQSZACIVSA-N 319.409 -0.232 30 20 DBED C#Cc1cncc(C(=O)N(C)CCCNCc2nnnn2C)c1 1754399102 ARAWXXGBECFVOD-UHFFFAOYSA-N 313.365 -0.162 30 20 DBED CC#CCN1CC[C@@](O)(CNC(=O)c2coc(C(N)=O)c2)C1 1754756880 YLAYQCYQTXJIIU-OAHLLOKOSA-N 305.334 -0.432 30 20 DBED C=CCCCN1CC[C@@](O)(CNC(=O)CCn2cnnn2)C1 1754758832 BUPZXTWGBUOKNU-CQSZACIVSA-N 308.386 -0.418 30 20 DBED C#CCNC(=O)CN1CC([C@H](C)NC(=O)C2CCN(C)CC2)C1 1755381302 FOKCMFQYIDWELW-ZDUSSCGKSA-N 320.437 -0.486 30 20 DBED C=C(C)CN1C[C@H](NC(=O)CNC(=O)CNC(C)=O)C(C)(C)C1 1755411431 BYAOSYIMRWZKJJ-ZDUSSCGKSA-N 324.425 -0.359 30 20 DBED C=CCn1cc(C(=O)N(C)[C@H](CNCC(N)=O)C2CC2)nn1 1755570033 SNVZMUNVKRSLBJ-GFCCVEGCSA-N 306.370 -0.610 30 20 DBED COCC#CCNC[C@H](O)CN(C)C(=O)c1c(C)cnn1C 1755785358 IHUVLWYBVDARFG-ZDUSSCGKSA-N 308.382 -0.599 30 20 DBED C#CCN(C)C[C@@H](O)CN(C)C(=O)[C@H]1CCCN(C(C)=O)C1 1755802936 JGIFNTNQHVXNBO-LSDHHAIUSA-N 309.410 -0.371 30 20 DBED C#CCCCC(=O)N(C)[C@@H](CNC(=O)Cn1ncnn1)C1CC1 1756410063 XBDGJSGSNQKGKV-ZDUSSCGKSA-N 318.381 -0.170 30 20 DBED Cc1c(C(=O)NC[C@H](CO)NC(=O)C#CC(C)(C)C)nnn1C 1756509892 BYLABHVNVDWURV-LLVKDONJSA-N 321.381 -0.620 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N1CCO[C@](C)(C(=O)O)C1 1776398561 QQOFGKHVXUIQPN-ONGXEEELSA-N 305.356 -0.359 30 20 DBED C=CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)NC=O)C[C@@H]21 1791277990 BBCGDXXOSJPPKL-RFGFWPKPSA-N 323.393 -0.323 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cncnc1C 1798200260 WJUNSOGBPAQYME-JJLQDPRZSA-N 314.345 -0.379 30 20 DBED N#CC1(C(=O)N2CCC3(CCCN(C(=O)C(O)O)C3)CC2)CC1 1805276959 DQBBWLOEZSMJIW-UHFFFAOYSA-N 321.377 -0.168 30 20 DBED C[C@@H](S)C(=O)N1CCCC12CN(C(=O)[C@@H]1CCC(=O)N1)C2 1846367730 MPOUIPXSHMZWIC-ZJUUUORDSA-N 311.407 -0.213 30 20 DBED C=CCNC(=O)CN(C)c1c(N)n(CCCC)c(=O)[nH]c1=O 11035497 WMBSOWUAYSPWFZ-UHFFFAOYSA-N 309.370 -0.343 30 20 DBED C=CCNC(=O)[C@@H](C)OC(=O)C1CCN(S(C)(=O)=O)CC1 29003647 PCXYFNFNUNCWTE-SNVBAGLBSA-N 318.395 -0.108 30 20 DBED Cc1nnc(N2CCN(CCS(N)(=O)=O)CC2)c(C#N)c1C 77274033 IYECEMUVJXPGJK-UHFFFAOYSA-N 324.410 -0.624 30 20 DBED C/N=C(/NC[C@H]1CN(C)CCO1)NC[C@](C)(O)c1ccco1 262300273 AHDBRPJGPGQPIY-WFASDCNBSA-N 310.398 -0.017 30 20 DBED N#CCN(C(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)C1CC1 266296499 RUVGAOLSLVBULR-WFFHOREQSA-N 303.318 -0.337 30 20 DBED CN1C(=O)C[C@H](NS(=O)(=O)c2ccc(C#N)c(F)c2)C1=O 292161536 CVECQZPKUYGIAO-JTQLQIEISA-N 311.294 -0.267 30 20 DBED CCN(C[C@H](C)C#N)C(=O)CN1[C@@H](C)C(=O)N(C)S1(=O)=O 294894656 BIKUCSOIFZSLBX-ZJUUUORDSA-N 316.383 -0.598 30 20 DBED Cc1nc(N=C(O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)nn1C 329115058 SPLSJWHTVAWYQS-YJFSRANCSA-N 319.321 -0.126 30 20 DBED C[C@@H](CN/C(O)=N/CCN1C(=O)CCC1=O)N1CCOCC1 329499648 KBOFVPMUYBPAOO-NSHDSACASA-N 312.370 -0.640 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)NC[C@@H](C)N1CCN(C)CC1 330402299 VASKDIZHSNFLBN-CHWSQXEVSA-N 317.459 -0.452 30 20 DBED C=CC/N=C(/O)NC(=O)CN1CCN(C)[C@@H](c2nc(C)no2)C1 330513692 CXZKPHPQOGOVCP-LLVKDONJSA-N 322.369 -0.117 30 20 DBED C/N=C(/O)NC(=O)[C@@H](C)N1CCN(Cc2cnn(C)c2)CC1 330662746 SOIWAZYGTDKXEJ-LLVKDONJSA-N 308.386 -0.414 30 20 DBED CNS(=O)(=O)NC1CCN(/C(O)=N/CCCCOC)CC1 331248576 WYCXCSOWKOASFW-UHFFFAOYSA-N 322.431 -0.155 30 20 DBED N#Cc1cccnc1N1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 336858852 CBBJTEXBOMZMQF-STQMWFEESA-N 322.390 -0.767 30 20 DBED COCCN(CCC#N)S(=O)(=O)NC[C@H](O)[C@@H]1CCOC1 337089750 ITOQWWVLNWJUKW-NEPJUHHUSA-N 321.399 -0.920 30 20 DBED CC(C)(C)[C@H](CCO)NS(=O)(=O)N1CCO[C@H](C#N)C1 337101223 VYMXMJMOCKQJDS-MNOVXSKESA-N 305.400 -0.158 30 20 DBED COC(=O)C[C@@H]1COCCN1S(=O)(=O)N(C)[C@H](C)CC#N 344958163 QVWHEICNSAGQLT-GHMZBOCLSA-N 319.383 -0.271 30 20 DBED N#Cc1ccnc(N2CCN(C(=O)CSCC(N)=O)CC2)c1 345002428 XXOVCSCTRDNSDH-UHFFFAOYSA-N 319.390 -0.180 30 20 DBED CC[C@H](C)[C@H](NS(C)(=O)=O)C(=O)N1CCN(CC#N)CC1 345548417 OIXUZWCYGVUFLN-RYUDHWBXSA-N 316.427 -0.382 30 20 DBED CC[S@@](=O)CC(=O)N(CCC#N)CCN1CCOCC1 346287778 BAVFPGLDDORTSP-HXUWFJFHSA-N 301.412 -0.171 30 20 DBED Cc1cc(NC(=O)C(=O)N2CC[C@H](C)[C@@H](O)C2)nn1CCC#N 357725619 BDSVKZWJLZOCEF-JQWIXIFHSA-N 319.365 0.273 30 20 DBED CN(C)S(=O)(=O)CCNC(=O)N1CCC(F)(C#N)CC1 358495121 HNYDJJOEZRQONS-UHFFFAOYSA-N 306.363 -0.085 30 20 DBED Cc1nc(S(=O)(=O)NCC(=O)NCC(C)(C)C#N)cn1C 359649714 MSFQEPUIQYCZHS-UHFFFAOYSA-N 313.383 -0.327 30 20 DBED CCOCCOC[C@@H](O)CNS(=O)(=O)N(C)CCC#N 359977697 UJUJLUVIEPDNBS-NSHDSACASA-N 309.388 -0.920 30 20 DBED C=CC[C@@H](CO)CNC(=O)Cc1cc(S(N)(=O)=O)cn1C 362982002 FUROPESDWBDBQU-SNVBAGLBSA-N 315.395 -0.484 30 20 DBED CCN1CCCN(S(=O)(=O)N(C)C[C@H](C)C#N)CC1=O 369106020 DCDDCUMEBOKRSF-LLVKDONJSA-N 302.400 -0.123 30 20 DBED C[C@H]1[C@@H](C)S(=O)(=O)CCN1S(=O)(=O)N(C)CCC#N 408192158 KOTPQAGOKLWVQZ-VHSXEESVSA-N 309.413 -0.416 30 20 DBED C=CCCOCCNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C 418993365 NZFZEJNHDNARBD-NWDGAFQWSA-N 313.398 -0.076 30 20 DBED CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)[C@@H](N)CCCC#N 424139911 RUJJEWDHIOVHMZ-GRYCIOLGSA-N 316.427 -0.158 30 20 DBED C#CCNS(=O)(=O)c1ccc(S(=O)(=O)NCC#C)cc1 491277644 PJVLKSFTWBYBLD-UHFFFAOYSA-N 312.372 -0.490 30 20 DBED C#CCNC(=O)C1CCN(c2nc(N)nc3c2cnn3C)CC1 491454061 VPODJSHTPRYIQQ-UHFFFAOYSA-N 313.365 -0.089 30 20 DBED C#CCN1CCN(C(=O)Cn2cc([N+](=O)[O-])cc(F)c2=O)CC1 491746366 VBPYNZRQMXFHOB-UHFFFAOYSA-N 322.296 -0.327 30 20 DBED O=C(CNC(=O)OCC(F)(F)F)N[C@@H]1CCCN(O)C1=O 497074724 VFUSJXWITZPMOP-ZCFIWIBFSA-N 313.232 -0.229 30 20 DBED CCOC[C@@H]1CN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CCO1 528533775 AJSJAYQHPLIEQY-RYUDHWBXSA-N 319.383 -0.807 30 20 DBED COC(=O)c1cnc[nH]c1=NCCCc1[nH]nc(N)c1C#N 577535741 JVHNXDZTYJNCJQ-UHFFFAOYSA-N 301.310 -0.093 30 20 DBED C[C@@H](O)CN(C(=O)C(=O)N1CCN(CCC#N)CC1)C1CC1 601502608 RDQYECYLSSOYHF-GFCCVEGCSA-N 308.382 -0.584 30 20 DBED C=C[C@](C)(O)C(=O)NC[C@H](COC)NC(=O)[C@](C)(O)C=C 613787850 IAQRKAUBUNZDBJ-DDTOSNHZSA-N 300.355 -0.892 30 20 DBED CC#CC[C@@H](CO)NC(=O)c1ccnc2c(C(N)=O)cnn12 649184167 DSULPGUROJGASL-VIFPVBQESA-N 301.306 -0.668 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N[C@H](C)[C@H]1CN(C)CCO1 685337386 KTVJIMKIPWQPTG-CHWSQXEVSA-N 313.398 -0.517 30 20 DBED CO[C@]1(CNC(=O)[C@@H](N)CCCC#N)CCS(=O)(=O)C1 720914749 MEGFBAVYXAJULK-JQWIXIFHSA-N 303.384 -0.673 30 20 DBED C[C@@H](C(=O)OCC(=O)NCC#N)N1C(=O)NC2(CCCC2)C1=O 731243157 DBYOLOHEKKWLOG-VIFPVBQESA-N 322.321 -0.578 30 20 DBED C#CCOCCNS(=O)(=O)N1CCC2(CC1)OCCO2 784456877 CWTZBJQBFGIKNA-UHFFFAOYSA-N 304.368 -0.691 30 20 DBED C#CCC[C@@H](O)CNC(=O)CSCC(=O)N1CCOCC1 799078883 HAJJMFMBUSLPLT-GFCCVEGCSA-N 314.407 -0.531 30 20 DBED C#C[C@@H](NC(=O)C(=O)N1CCN(CC2CC2)CC1)[C@@H]1CCCO1 809308484 LUYKBKZRKGXKFJ-CABCVRRESA-N 319.405 -0.162 30 20 DBED O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCC[C@@H]1C(=O)O 819691604 SAWULTNZHJOCPK-MMZVIXLHSA-N 307.306 -0.022 30 20 DBED N#C[C@@H]1CNC[C@H]1NC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 834517087 PYNSXJURVFFFOL-DJLDLDEBSA-N 304.272 -0.375 30 20 DBED C#CCO[C@H](C)C(=O)O[C@H](C)C(=O)NCCN1CCOCC1 835394191 CXJXGPYRWZVELR-CHWSQXEVSA-N 312.366 -0.595 30 20 DBED C#C[C@H](NC(=O)N1CCC[C@@H](C(=O)NCCN)C1)[C@H]1CCCO1 841881732 UOEUYFYBUDMHFD-HZSPNIEDSA-N 322.409 -0.336 30 20 DBED N#Cc1cccnc1NCCOC(=O)[C@H]1CCS(=O)(=O)N1 845457822 DYKFJZSCEHUOAL-SNVBAGLBSA-N 310.335 -0.400 30 20 DBED CCOC(=O)CON=C(C(=O)N1CC(O)(CC)C1)c1cc[nH]n1 854381066 XSXJULXEQBBGMB-UHFFFAOYSA-N 324.337 -0.323 30 20 DBED C#CCCN(CCOC)C(=O)[C@H]1CCCN(S(N)(=O)=O)C1 856391378 IKFAHYJJAFYOCS-LBPRGKRZSA-N 317.411 -0.600 30 20 DBED C=C[C@H](O)C(=O)N1[C@H](C)SC[C@H]1C(=O)NCCC(=O)OC 861984511 RTKFPRCJRZBGNH-GUBZILKMSA-N 316.379 -0.497 30 20 DBED Cc1cc(/C=C/C(=O)c2c(O)n(C)c(=O)n(C)c2=O)nn1C 876498134 PMSJCOJLCTXTSO-AATRIKPKSA-N 304.306 -0.272 30 20 DBED C#CCSCC(=O)NC[C@@H](CO)NC(=O)CSCC#C 907351855 UOXYFITUQKLIDG-NSHDSACASA-N 314.432 -0.688 30 20 DBED C=CCNC(=O)NC(=O)CN1CCO[C@H](c2ccnn2C)C1 933521948 GVFORFBEUNHFJA-LBPRGKRZSA-N 307.354 -0.195 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@H]2CCCO2)C1 937649285 BTYCFBJRQDCJHV-SOUVJXGZSA-N 319.405 -0.020 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@H]3CNC(=O)N3)C[C@H]2C)C1 939989972 XOBFDLKKTCFJSC-IJLUTSLNSA-N 320.393 -0.013 30 20 DBED CN1CCC[C@@H]1C(=O)NC[C@@H]1CN(C(=O)C#CC2CC2)CCO1 944513239 ITMANPUWQBIXLV-HUUCEWRRSA-N 319.405 -0.162 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)c2cn(C)cn2)C1 944550219 NCKGFLJXXKEJCL-MNOVXSKESA-N 305.338 -0.463 30 20 DBED Cn1ncc(C(=O)NC[C@@H]2CN(C(=O)C#CC3CC3)CCO2)n1 944672586 USEMEHYEBDASOL-GFCCVEGCSA-N 317.349 -0.814 30 20 DBED C[C@@H](NC(=O)c1ccc(C#N)[nH]1)[C@@H]1CCCN(C(=O)C(N)=O)C1 945667883 KCJNZVHYVNKQJQ-NXEZZACHSA-N 317.349 -0.271 30 20 DBED CO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)Cc1ncc[nH]1 946435412 KPPRYHMBAXTJKY-CHWSQXEVSA-N 316.361 -0.292 30 20 DBED C#CCN1C[C@H]2CCN(C(=O)C[C@H]3CC(=O)NC3=O)CC[C@H]2C1 946915893 VSPRHONFOCROCV-HZSPNIEDSA-N 317.389 -0.157 30 20 DBED C=CC(C)(C)C(=O)N1CCC(NC(=O)[C@H]2CNC(=O)N2)CC1 947712579 ISFJQYKAYWMIQV-LLVKDONJSA-N 308.382 -0.013 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CNC(=O)[C@H]2COCCO2)CC1 949387308 KCPXAWBDNVGGJG-WCQYABFASA-N 309.366 -0.084 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@@H]2CNC(=O)c2cnn[nH]2)nc1 950995514 SKSSBXPBVPNFDG-LLVKDONJSA-N 310.317 -0.175 30 20 DBED C=CCn1cc(C(=O)N2CC(N(C)C(=O)[C@H]3CCOC3)C2)nn1 953857942 ZIJHBVIFAIGGLA-NSHDSACASA-N 319.365 -0.217 30 20 DBED CN(C(=O)c1cc(C#N)c[nH]1)C1CN(C(=O)c2nnn(C)n2)C1 953994149 KDIAQAKOOJWMRN-UHFFFAOYSA-N 314.309 -0.994 30 20 DBED CN1CC[C@@H](C(=O)N(C)C2CN(C(=O)C#CC3CC3)C2)CC1=O 954716430 IPDBCPAHSXKJDN-CYBMUJFWSA-N 317.389 -0.063 30 20 DBED CN(C(=O)[C@@H]1CC[C@@H]1C(N)=O)C1CN(C(=O)C#CC2CC2)C1 954954272 CBCDIASAHITQJM-QWHCGFSZSA-N 303.362 -0.420 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CN(C(=O)c2cnnn2C)C1 955364415 FSMCFZPKACKZCM-YPMHNXCESA-N 319.365 -0.311 30 20 DBED C[C@@H]1C[C@@H](NC(=O)C(N)=O)CCN1C(=O)c1c[nH]c(C#N)c1 955629142 IVSXUFBPSPLEEF-SCZZXKLOSA-N 303.322 -0.519 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2ncc(OC)cc2F)C1 958127284 WHOKGGMXVWXXNS-GXFFZTMASA-N 307.325 -0.115 30 20 DBED N#CCN1C[C@@H](O)[C@H](CNC(=O)c2cccc3ncnn23)C1 958224872 YWAYYFPESSSWFY-ZYHUDNBSSA-N 300.322 -0.725 30 20 DBED C=CCCn1cc(C(=O)NC[C@H]2CN(CCOC)C[C@H]2O)nn1 958468381 XIEWJQPWSKNTEK-GXTWGEPZSA-N 323.397 -0.477 30 20 DBED CNC(=O)c1cccc(C(=O)NC[C@@H]2CN(CC#N)C[C@H]2O)c1 958694918 KFWINIPNSMJXCL-ZIAGYGMSSA-N 316.361 -0.408 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2cccc3nnn(C)c23)C1 958763812 WKFLBBJFHORTKB-BXUZGUMPSA-N 313.361 -0.376 30 20 DBED C=C(C)CCN1C[C@@H]2C(NC(=O)C[C@@H]3NC(=O)NC3=O)[C@H]2C1 960353504 WBPAYPJWTWKKIY-DCAQKATOSA-N 306.366 -0.403 30 20 DBED C[C@H](C#N)C(=O)N1CCC2(CC1)C[C@@H]2NC(=O)Cn1cnnn1 962968249 IHUQEVCPDSHYCL-MNOVXSKESA-N 317.353 -0.670 30 20 DBED NC(=O)CC(=O)N1CC[C@H]2[C@@H]1CCCN2C(=O)C#CC1CC1 963060080 UGIXUTKAMXHCNX-STQMWFEESA-N 303.362 -0.133 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC2(C1)CN(C(=O)[C@@H]1CCCO1)C2 965470999 ITGHKMPKFJGAJR-RYUDHWBXSA-N 307.350 -0.235 30 20 DBED C[C@@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)Cn1ncnn1)C2 969804805 HCMBYWBOSIJVAS-DCAQKATOSA-N 303.326 -0.965 30 20 DBED C=C[C@@](C)(CC)C(=O)N1C[C@H](O)[C@H](NC(=O)c2cnon2)C1 969997953 ZFQHQIMJRXQDHH-SUNKGSAMSA-N 308.338 -0.027 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)Cn3ccnc3)C[C@@H]2O)C1 970403505 WOQQJAPSSKPZNL-OLZOCXBDSA-N 318.377 -0.073 30 20 DBED CN([C@H]1CCN(C(=O)C#CC2CC2)C1)[C@@H]1CCC(=O)NC1=O 971507495 INQMQYKJLNEUEX-QWHCGFSZSA-N 303.362 -0.262 30 20 DBED C[C@@]1(C(=O)N2CC[C@@]3(CN(CC#N)CCO3)C2)CCNC(=O)C1 972430837 LCFCMWHJGAWQAY-HZPDHXFCSA-N 320.393 -0.270 30 20 DBED CN(CC#N)[C@H]1CCN(C(=O)c2cn([C@H]3CCOC3)nn2)C1 972692312 ZPLRFENKAZQOJI-RYUDHWBXSA-N 304.354 -0.091 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)Cn2nccn2)C1 973315477 NBTFSNFROPRCFI-LPWJVIDDSA-N 319.365 -0.367 30 20 DBED C#CCCN1C[C@H](NC(=O)Cn2c(O)nnc2O)C(C)(C)C1 977510325 CSDTWCOZXQWZJK-JTQLQIEISA-N 307.354 -0.461 30 20 DBED C#CCN1C[C@@H]2CC[C@@H](NC(=O)CN3CCOCC3=O)C[C@H]2C1 979798878 VZDMPRQCBJWFSV-SOUVJXGZSA-N 319.405 -0.305 30 20 DBED C#CCN1CCCC2(C1)CN(C(=O)[C@H]1CN(C(C)=O)CCO1)C2 982135456 ITKVFDWNZUXHTN-OAHLLOKOSA-N 319.405 -0.209 30 20 DBED C[C@@H]1[C@@H](NCc2nnn(C)n2)CCN1C(=O)c1cc(C#N)c[nH]1 986129328 DFBLPACWKGHUBN-KOLCDFICSA-N 314.353 -0.197 30 20 DBED CN(C[C@H]1CCN(C(=O)C#CC2CC2)C1)C(=O)[C@@H]1CCC(=O)N1 987994811 VTBQFOFVJOKSSO-KGLIPLIRSA-N 317.389 -0.015 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CN(C)C(=O)[C@H]2COC(=O)N2)CC1 988626194 WEIFIAHQBJJNHQ-ZYHUDNBSSA-N 322.365 -0.049 30 20 DBED C#CCN[C@H]1C[C@@H](C)N(C(=O)Cc2c(C)nc(O)nc2O)C1 989595301 BBLXOJHTBOAFEX-KOLCDFICSA-N 304.350 -0.049 30 20 DBED N#Cc1ccc(C(=O)NC2CN(C(=O)C3=COCCO3)C2)[nH]1 990889816 VDXOJEGFIGFLEP-UHFFFAOYSA-N 302.290 -0.285 30 20 DBED C#Cc1ccc(C(=O)N2CC(NC(=O)Cn3ncnn3)C2)cc1 991880199 QTODKWHSSMTEGY-UHFFFAOYSA-N 310.317 -0.705 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NC1CN(C(=O)C2(C(N)=O)CC2)C1 992071295 MHRLTJDKEPIGPH-NEPJUHHUSA-N 321.377 -0.440 30 20 DBED C=CCN1CC[C@]2(NC(=O)[C@H]3CCS(=O)(=O)N3)CCC[C@@H]12 992501331 QSPFETAWTUUGGQ-YRGRVCCFSA-N 313.423 -0.023 30 20 DBED Cn1cnn(CCC(=O)N2C[C@H](NCC#N)C(C)(C)C2)c1=O 996088163 WBOBFZVAQLDWEX-NSHDSACASA-N 306.370 -0.678 30 20 DBED C#Cc1ccccc1CC(=O)N1CC(NC(=O)c2nc[nH]n2)C1 997813248 XUBFXPUJNQLVMU-UHFFFAOYSA-N 309.329 -0.031 30 20 DBED N#CCN1CC[C@H](n2cc(CNC(=O)[C@@H]3[C@H]4COC[C@H]43)nn2)C1 1000011717 XEXIYEIGRZTCPJ-IGQOVBAYSA-N 316.365 -0.443 30 20 DBED C=CCn1cc(C(=O)NCC2CN(C(=O)c3cocn3)C2)nn1 1001959659 ASMRHVWIRBUUQT-UHFFFAOYSA-N 316.321 -0.046 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCO[C@@]2(CCN(C(C)=O)C2)C1 1007547553 FMBPAJXCFUQLKZ-DOTOQJQBSA-N 319.405 -0.066 30 20 DBED Cn1nnc(C(=O)N[C@H]2CN(C(=O)C#CC3CC3)CC2(C)C)n1 1008446201 AUXGNEJFQYOADW-NSHDSACASA-N 316.365 -0.410 30 20 DBED Cc1ccn(CC(=O)N2CCN(C(=O)[C@H](C)C#N)CC2)c(=O)c1 1011148416 UKWSHTFCPYADAA-CYBMUJFWSA-N 316.361 -0.013 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C(=O)C[C@@H]2CCC(=O)N2C)CC1 1011882692 BYCZANBKMQQDIH-RYUDHWBXSA-N 306.366 -0.172 30 20 DBED COc1cncc(C(=O)NC2[C@@H]3CN(C(=O)[C@H](C)C#N)C[C@@H]23)n1 1013093243 MVZUGDPHOOQKJH-OPRDCNLKSA-N 315.333 -0.169 30 20 DBED CC#CCN1CC[C@@H](NC(=O)[C@H]2CCc3nnc(O)n3C2)C1 1014996025 LLXHVJQLUOQRQH-NWDGAFQWSA-N 303.366 -0.240 30 20 DBED C=CCN1CC[C@@H](N[C@H]2CCN(C(=O)Cc3cnc[nH]3)C2)C1=O 1019438856 VKEVSYIFUAKRKP-GXTWGEPZSA-N 317.393 -0.070 30 20 DBED C=CCN1CCC[C@H](CNC(=O)c2cn(CC(N)=O)nn2)C1 1023762217 UGMXSTAOMXWFBO-LLVKDONJSA-N 306.370 -0.609 30 20 DBED CC#CCN1CCCC[C@H]1CNC(=O)[C@@H]1CCS(=O)(=O)N1 1024805818 DKICNIPBCSEQGL-STQMWFEESA-N 313.423 -0.328 30 20 DBED C=CCNC1CCC(NC(=O)[C@@H]2CCS(=O)(=O)N2)CC1 1026607892 ZADMBPYSKXLARZ-MCIGGMRASA-N 301.412 -0.119 30 20 DBED C#CCN(C)[C@H]1CCCN(C(=O)c2cnc(O)n(C)c2=O)C1 1027518727 ZJTFNKYPDPWORB-NSHDSACASA-N 304.350 -0.345 30 20 DBED C=CCN1CCC[C@H]1CNC(=O)c1cn(CC(=O)N(C)C)nn1 1028335356 SOISQUSBRPSTOW-LBPRGKRZSA-N 320.397 -0.254 30 20 DBED C=CCN1CC[C@H](N2CC[C@H](CNC(=O)c3cnn[nH]3)C2)C1=O 1028652891 GRZXWABHNOJYCP-YPMHNXCESA-N 318.381 -0.357 30 20 DBED C=C(C)CN1CCO[C@@H](CNC(=O)C2CS(=O)(=O)C2)C1 1035382239 AIDSAQJPAPHYBV-LBPRGKRZSA-N 302.396 -0.576 30 20 DBED CC[C@H]1CN(C(=O)Cn2ncn(C)c2=O)CC[C@H]1NCC#N 1037868374 HUXWZEIEUURTPZ-NWDGAFQWSA-N 306.370 -0.678 30 20 DBED C[C@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(Cc1nnnn1C)CC2 1039346388 GVGVEUMYUXECPD-WOPDTQHZSA-N 303.370 -0.065 30 20 DBED Cn1cc(C(=O)N2CC[C@]3(CCN(CC#N)C3)C2)ncc1=O 1041486679 NMFXEMYIIBIMKI-HNNXBMFYSA-N 301.350 -0.158 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)c2ocnc2C)C1 1042368053 DBZGXLWOZQRJEA-UHFFFAOYSA-N 321.333 -0.674 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2ccn(C)c2)C1 1042543870 DZQLUQAMZITAFY-LBPRGKRZSA-N 319.361 -0.634 30 20 DBED N#Cc1ccc(C(=O)NCC2(O)CN(C(=O)c3cc[nH]c3)C2)[nH]1 1042612398 HQHPRFJVXTWOEI-UHFFFAOYSA-N 313.317 -0.169 30 20 DBED CO[C@@H]1CN(c2cccc(F)c2C#N)C[C@H]1NC(=O)C(N)=O 1042956152 IRPZCJTWQQYNSL-ZYHUDNBSSA-N 306.297 -0.498 30 20 DBED CC(C)(C)C#CC(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1042966430 WLNORIIOJUQHDD-GHMZBOCLSA-N 323.349 -0.609 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)[C@H](F)CC)C1 1044805052 BPXYZNVVSDXNIG-GHMZBOCLSA-N 300.330 -0.538 30 20 DBED N#CCN1CCC2(CC1)CO[C@H](CNC(=O)[C@@H]1CCC(=O)N1)C2 1045685277 VEALDFJDYYRYIZ-STQMWFEESA-N 320.393 -0.224 30 20 DBED N#CCN1CC[C@H](N2CCN(C(=O)CO[C@H]3CCOC3)CC2)C1 1046026713 FBAQVHVLIADIRT-GJZGRUSLSA-N 322.409 -0.466 30 20 DBED Cn1cncc1C(=O)N1CCN([C@@H]2CCN(CC#N)C2)CC1 1046042511 WZMUFZIURGDRIA-CYBMUJFWSA-N 302.382 -0.224 30 20 DBED C#CCN1CC[C@H](N2CCN(C(=O)Cc3cnc[nH]3)CC2)C1 1046067410 YUVOWVGOKCMXOS-HNNXBMFYSA-N 301.394 -0.196 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1C[C@H](CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 1047020294 ZTVFJCFEMBSUSA-JHEVNIALSA-N 313.361 -0.197 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)Cn2ccccc2=O)C1 1047622528 GLLKHWUUCRXRDY-KBPBESRZSA-N 303.362 -0.625 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1COCCN1CC(N)=O 1050924375 GGSPBXQCPNFIOB-UPJWGTAASA-N 311.382 -0.730 30 20 DBED C#CCCN1CCOC[C@H]1CNC(=O)c1cnc2[nH]nnc2c1 1050956027 VBDPICJQYIGIIJ-GFCCVEGCSA-N 314.349 -0.193 30 20 DBED COc1cc(OC)nc(C(=O)NC[C@@H]2COCCN2CC#N)n1 1050980191 NBWCJJWTXIXPFO-SNVBAGLBSA-N 321.337 -0.552 30 20 DBED C=CCN1CCN([C@@H]2CCN(C(=O)[C@H]3CCNC3=O)C2)CC1 1052060172 YTUYIDWDBGOKED-KGLIPLIRSA-N 306.410 -0.473 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)c3cc(=O)n(C)o3)CO2)C1 1053786927 QJDCPGNDEYFVTD-LLVKDONJSA-N 305.334 -0.425 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)c3cccn(C)c3=O)CO2)C1 1053984640 BXOWOUKVZOOGSB-CYBMUJFWSA-N 315.373 -0.018 30 20 DBED C=CCN1CC2(C[C@H](NC(=O)[C@@H]3CN(C(C)=O)CCO3)CO2)C1 1053997655 SXISKQCXYGFFJX-KBPBESRZSA-N 323.393 -0.621 30 20 DBED C#CCN1CCC(C(=O)N[C@@H]2COC3(C2)CN(CC#N)C3)CC1 1054017388 YGNDHCQWCSTXKD-HNNXBMFYSA-N 316.405 -0.185 30 20 DBED CC(C)C#CC(=O)N1C[C@H]2CN(C(=O)[C@H]3COCCO3)C[C@H]2C1 1055184909 PPBVGZAMEGKMDO-QLFBSQMISA-N 320.389 -0.022 30 20 DBED N#Cc1ccc(N2C[C@@H]3C(NC(=O)[C@H]4CCC(=O)N4)[C@H]3C2)nn1 1056147769 QYUGUOISDMVVEY-GARJFASQSA-N 312.333 -0.822 30 20 DBED Cn1ncc(C(=O)N[C@H]2[C@@H]3CN(c4ccc(C#N)nn4)C[C@@H]32)n1 1056256401 KRJJGCNQZPXSMZ-IWIIMEHWSA-N 310.321 -0.659 30 20 DBED CCc1nc(C#N)cc(N2C[C@H]3C(NC(=O)c4cnn[nH]4)[C@@H]3C2)n1 1056470235 JKBSSDNZSDXYPY-NXEZZACHSA-N 324.348 -0.107 30 20 DBED C#Cc1ccc(C(=O)NCCN(CCO)C(=O)CSC)cn1 1056899839 MEXNPPZNAXGKBF-UHFFFAOYSA-N 321.402 -0.023 30 20 DBED Cn1nnc(C(=O)NC2CCN(c3ncccc3C#N)CC2)n1 1057927891 URWOGEGFEGLLAQ-UHFFFAOYSA-N 312.337 -0.124 30 20 DBED O=C(C#CC1CC1)NCCN(CCO)C(=O)[C@H]1C[C@H]2C=C[C@H]1O2 1057945026 MZMXYVZXKDMORR-QLFBSQMISA-N 318.373 -0.320 30 20 DBED N#Cc1cncc(N2CCC[C@H](NC(=O)[C@H]3CCC(=O)N3)C2)n1 1058127082 IKMSIPTYKVRCNG-CMPLNLGQSA-N 314.349 -0.288 30 20 DBED N#Cc1nccnc1N1CC[C@H](NC(=O)c2nccnc2N)C1 1058315838 NXOIQTJZEZSBQZ-VIFPVBQESA-N 310.321 -0.271 30 20 DBED Cc1cn(C)nc1C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N 1058652722 CULNURTUYQOOSL-JTQLQIEISA-N 307.354 -0.561 30 20 DBED CCn1cc(C(=O)N(CCO)CCNC(=O)[C@H](C)C#N)nn1 1058666392 MTOMHUFUZGWLRT-SNVBAGLBSA-N 308.342 -0.992 30 20 DBED C=C1CC(C)(C(=O)N(CCO)CCNC(=O)[C@H]2CCNC2=O)C1 1058773490 LLUOBMBIXDCVPV-LBPRGKRZSA-N 323.393 -0.584 30 20 DBED N#Cc1cncc(N2CC[C@H](CNC(=O)[C@H]3CCC(=O)N3)C2)n1 1061538274 BAWKOCBORNTLPG-ZYHUDNBSSA-N 314.349 -0.431 30 20 DBED C#CCO[C@H](C)C(=O)N1CCOC[C@@H]1CNC(=O)C#CC1CC1 1061571638 DYTXLTTVKYQPQY-HIFRSBDPSA-N 318.373 -0.218 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H]1COCCN1C(=O)CSC 1061580664 CVVVMYYYMHVWOF-NWDGAFQWSA-N 314.407 -0.269 30 20 DBED C=CCn1cccc1C(=O)N1CCOC[C@@H]1CNC(=O)C(N)=O 1061838061 YHZOKYDKIMIPQO-NSHDSACASA-N 320.349 -0.883 30 20 DBED Cn1ncc(C(=O)N2C[C@@H]3CC[C@H](C2)N3c2nccnc2C#N)n1 1061973457 YTHNOQXAUITCGR-PHIMTYICSA-N 324.348 -0.030 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H]1CCCCN1C(=O)c1cnn[nH]1 1062271968 NNHDMYQFMYHDMV-NWDGAFQWSA-N 319.365 -0.046 30 20 DBED N#Cc1nccnc1N1C[C@@H]2C[C@H]1CN2C(=O)C1(C(N)=O)CC1 1062567000 IJPPNDLELSJDIQ-UWVGGRQHSA-N 312.333 -0.597 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)C2(NC(N)=O)CC2)CCC1 1062823568 QUHQGTQUZOMMAZ-SECBINFHSA-N 307.354 -0.498 30 20 DBED COC(=O)NCC(=O)NC1(CNC(=O)C#CC2CC2)CCC1 1062973933 GSEVDQRGUAJXDI-UHFFFAOYSA-N 307.350 -0.089 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)CN2CCCC2=O)CCC1 1064302069 CGBOBCZHLKTULL-NSHDSACASA-N 306.366 -0.076 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)[C@H]2CCCNC2=O)CCC1 1064304754 HYRMGASDQOOAFO-MNOVXSKESA-N 306.366 -0.173 30 20 DBED C[C@@H]1C[C@H](N=c2cc[nH]c(C#N)n2)CCN1C(=O)c1nc[nH]n1 1064793934 ZIKQLPSLXBFHBI-NXEZZACHSA-N 312.337 -0.007 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H]1CN(C(=O)CCCC)CCO1 1064867089 XHRRGPDGXOXMDE-CYBMUJFWSA-N 323.393 -0.340 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CN(C(=O)c2cnns2)CCO1 1064907114 IGJRSLIRUASYBF-IUCAKERBSA-N 309.351 -0.345 30 20 DBED COc1cc(C(=O)N2CCO[C@@H](CNC(=O)[C@H](C)C#N)C2)on1 1065067782 PEPYGQFBJUUSPQ-ZJUUUORDSA-N 322.321 -0.200 30 20 DBED C=C(C)CCC(=O)NC[C@@H]1CN(C(=O)Cn2nccn2)CCO1 1065194892 HVPGRKQHUVULNY-CYBMUJFWSA-N 321.381 -0.022 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CN(C(=O)CCc2cnc[nH]2)CCO1 1065271751 WTDZWKNGJQQBFM-YPMHNXCESA-N 319.365 -0.154 30 20 DBED Cn1nnc(C(=O)N[C@]2(C)CCN(c3ccc(C#N)cn3)C2)n1 1065316508 FDJXZXDBPXPXNA-CQSZACIVSA-N 312.337 -0.124 30 20 DBED C=CCCCC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)CCO1 1065400884 IFLUIZIMBKJSEK-OLZOCXBDSA-N 323.393 -0.035 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)[C@H](C)CC(N)=O)CCO1 1065420862 OFCINWLJITVOBR-OLZOCXBDSA-N 323.393 -0.355 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@H](CNC(=O)Cn2cccn2)C1 1065557156 NTMYWHAPDUDDKB-VXGBXAGGSA-N 305.338 -0.614 30 20 DBED C#CCCCC(=O)N1CCC[C@H](NC(=O)[C@H]2CNC(=O)N2)CC1 1066458610 JJOJBAJCOHXWJV-QWHCGFSZSA-N 320.393 -0.031 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@@H](CNC(=O)c3cc[nH]n3)C2)nc1 1067651576 NPLMOILKQNPNMF-WCQYABFASA-N 312.333 -0.097 30 20 DBED CC(C)C#CC(=O)N1CC2(C1)CN(C(=O)c1cnon1)CCO2 1068439604 WHDZPQFTEDAGCP-UHFFFAOYSA-N 318.333 -0.218 30 20 DBED CCc1nc(C#N)cc(N[C@H]2C[C@@H](C)N(C(=O)C(N)=O)C2)n1 1069184351 YLMXMSZFCZVBKA-SCZZXKLOSA-N 302.338 -0.203 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H]2CCCNC2=O)C1 1069950391 RGMYRZMZRLZRFC-UPJWGTAASA-N 318.381 -0.668 30 20 DBED Cc1nonc1CC(=O)N1C[C@H]2C[C@@H]3CN(CC#N)C[C@]2(C1)O3 1070874292 JAHHLQZQRGYEQR-LALPHHSUSA-N 317.349 -0.254 30 20 DBED C=CCN[C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 1071082038 FOVRGHAFMMQINL-RDBSUJKOSA-N 322.409 -0.161 30 20 DBED C[C@@H]1CN(C(=O)CSCC#N)C[C@@H]1NC(=O)c1cnnn1C 1071660778 BHHWRRALUZDJCX-ZJUUUORDSA-N 322.394 -0.351 30 20 DBED C=CCOCC(=O)N[C@H]1CN(C(=O)c2cnc(O)n2C)C[C@@H]1C 1072502471 ZPTCBSWRSDGCHR-QWRGUYRKSA-N 322.365 -0.095 30 20 DBED C#CCOCCC(=O)N[C@H]1CCN(C(=O)CNC(C)=O)C[C@@H]1C 1073960428 NTVMMGBUKZJOLU-JSGCOSHPSA-N 323.393 -0.484 30 20 DBED CC(=O)N[C@H](C)C(=O)N1CCC(O)(CNC(=O)[C@@H](C)C#N)CC1 1074451591 XWFHKASPJBMWHL-WDEREUQCSA-N 324.381 -0.860 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CCN(C(=O)[C@H]2CCOC2)CC1 1074506853 XAERRPMPFDSXMG-RYUDHWBXSA-N 309.366 -0.348 30 20 DBED COC[C@H](C)C(=O)N1CCC(O)(CNC(=O)[C@@H](C)C#N)CC1 1074514677 WTPQHRPFGCRZIP-RYUDHWBXSA-N 311.382 -0.102 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)CNC(C)=O 1075414452 KMHYCMRKKAHKKO-UHTWSYAYSA-N 311.382 -0.275 30 20 DBED CC(=O)N1CCO[C@H](C(=O)N2CC[C@H]3CN(CC#N)C[C@H]32)C1 1076517189 KHZIWKSKPMJSNG-MJBXVCDLSA-N 306.366 -0.710 30 20 DBED C=CCCC(=O)N[C@@H](C)CCNC(=O)[C@H]1CCS(=O)(=O)N1 1076618039 WDRIBBDMXKJUGK-WDEREUQCSA-N 317.411 -0.345 30 20 DBED C#CCOCCC(=O)N[C@@H](C)CCNC(=O)Cn1nccn1 1076696402 STWKIWBXQIBCIZ-LBPRGKRZSA-N 307.354 -0.671 30 20 DBED C[C@@H](CCNC(=O)COCCN(C)C)NC(=O)C#CC1CC1 1077494614 VGEXAQSPFOQJDS-ZDUSSCGKSA-N 309.410 -0.011 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)C2CCN(C(C)=O)CC2)C1 1078150586 HAPMQNYCNQYSFC-HUUCEWRRSA-N 307.394 -0.571 30 20 DBED CCN(C(=O)c1cc(C#N)c[nH]1)C1CN(C(=O)CC(=O)NC)C1 1079565043 DCKISXBBWZWIKH-UHFFFAOYSA-N 317.349 -0.305 30 20 DBED C=CCCN1C[C@@H](NC(=O)Cn2ccc(O)nc2=O)[C@H](C)C1 1080063027 KWQZJMRVEZHUHE-VXGBXAGGSA-N 306.366 -0.039 30 20 DBED C=CC(C)(C)C(=O)N(CC)C1CN(C(=O)[C@H]2CNC(=O)N2)C1 1080220622 OMZBQNUHJRACOR-LLVKDONJSA-N 308.382 -0.061 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CN([C@@H](CC)C(N)=O)C[C@H]2C)nn1 1080578851 CYVTZVTYTMPJHE-WZRBSPASSA-N 320.397 -0.222 30 20 DBED C=CCCC(=O)N1CCC(CO)(NC(=O)[C@H]2CCC(=O)N2)CC1 1080776338 XUNCNROEELLJSG-GFCCVEGCSA-N 323.393 -0.299 30 20 DBED C=CCCC(=O)N1CCC(CO)(NC(=O)[C@@H]2CCC(=O)N2)CC1 1080929314 XUNCNROEELLJSG-LBPRGKRZSA-N 323.393 -0.299 30 20 DBED C[C@H](C#N)C(=O)NC1(CO)CCN(C(=O)c2cnn[nH]2)CC1 1080983283 JSWGYKLZDCLRCM-SECBINFHSA-N 306.326 -0.952 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)c2n[nH]c(C)c2O)C[C@H]1O 1081334766 CHTCTPAGOFTQGT-WDEREUQCSA-N 322.365 -0.061 30 20 DBED CC(C)C#CC(=O)N1C[C@H](CNC(=O)Cc2ccon2)[C@@H](O)C1 1081366622 ZMPHXLNKOCJOGJ-JSGCOSHPSA-N 319.361 -0.188 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H]1CN(C(=O)CC(C)C)C[C@H]1O 1081417353 SBGBQYIJKUHIAS-QWHCGFSZSA-N 323.393 -0.893 30 20 DBED CCNC(=O)CC(=O)NC[C@@H]1CN(C(=O)C#CC(C)C)C[C@H]1O 1081425709 VSRZANJIWXKWEC-CHWSQXEVSA-N 323.393 -0.893 30 20 DBED C#CCN1C[C@@H](NC(=O)c2c[nH]nc2[C@H]2CCOC2)[C@H](OC)C1 1081988156 XOFDAUDFSYYZDB-IACUBPJLSA-N 318.377 -0.024 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)COc1cccnc1 1083225151 IJFRDYGWVBWFSY-UONOGXRCSA-N 302.334 -0.104 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)c2cn(C(C)(C)C)nn2)C1 1083511557 XVORJJPYPZSSPN-YPMHNXCESA-N 305.382 -0.169 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)C2(n3cnnn3)CCCCC2)C1 1083696562 GBVXUESUJWZJLD-OLZOCXBDSA-N 320.397 -0.320 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCC(=O)N2C(C)C)C1 1083723570 PXWKTHKGNWXPLW-RDBSUJKOSA-N 307.394 -0.430 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)c2c(OC)ncnc2OC)C1 1084121818 WFRGRMYZWPXKDC-ZJUUUORDSA-N 308.338 -0.545 30 20 DBED CN(C[C@@H]1CCN1CC#N)C(=O)[C@H]1CCN(C)S1(=O)=O 1085868553 STYFJXXGZMBVCQ-WDEREUQCSA-N 300.384 -0.923 30 20 DBED C#CCN[C@H]1C[C@@H](CNC(=O)[C@H]2CN3CC4CC3(CO2)C4)C1 1086153078 VHLNUKQIBSTLBN-LQCZDEPNSA-N 303.406 -0.033 30 20 DBED C#CCN[C@H]1C[C@@H](CNC(=O)C2CC3(C2)NC(=O)NC3=O)C1 1086222655 BHLRRKZUUAJZOQ-SCWCLHPDSA-N 304.350 -0.908 30 20 DBED Cc1nc2cc(C(=O)N[C@H]3CCN(CC#N)C[C@H]3O)cnc2[nH]1 1090313714 SIKKKQGWYAJXHF-WCQYABFASA-N 314.349 -0.045 30 20 DBED C#CCN1CC[C@@H](NC(=O)Cc2cnccc2OC)[C@H](O)C1 1090358790 PHTJJJYXPFGFDW-ZIAGYGMSSA-N 303.362 -0.183 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2cnn3c2OCCC3)[C@H](O)C1 1090398121 VRAYKRUQNSNHNY-ZIAGYGMSSA-N 318.377 -0.146 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2ccn(CCOC)n2)[C@H](O)C1 1090419827 CRKSNNNXLIYUMN-UKRRQHHQSA-N 320.393 -0.282 30 20 DBED C[C@@H](CC(N)=O)C(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1O 1090512787 MPMMINKOHSYRJE-ZWKOPEQDSA-N 317.349 -0.870 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2ccc3nnc(O)n3c2)[C@@H](O)C1 1090640061 GEFBMDBXPGXZLJ-NEPJUHHUSA-N 315.333 -0.767 30 20 DBED Cc1c(C(=O)N[C@H]2CCN(CC#N)C[C@H]2O)nnn1C(C)C 1090684829 CBJOMHYFYBQHOS-NWDGAFQWSA-N 306.370 -0.144 30 20 DBED N#CCN1CC[C@@H](NC(=O)C2(N3CCOCC3)CCC2)[C@H](O)C1 1090686837 QCMCZEDTBLKADJ-ZIAGYGMSSA-N 322.409 -0.684 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1C 1090689732 UASWAMRNWXCPOP-MWLCHTKSSA-N 302.338 -0.575 30 20 DBED CCOCC(=O)N1CCO[C@@H]2CN(c3ccnc(C#N)n3)C[C@@H]21 1091034725 GZSASUINOMXMRP-NWDGAFQWSA-N 317.349 -0.199 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CN(c2ncc(C#N)cc2F)C[C@@H]1O 1091078957 HDJYNJIPDKWZJQ-FXAINCCUSA-N 303.297 -0.082 30 20 DBED N#Cc1ccc(N[C@H]2C[C@@H](CNC(=O)CCNC(N)=O)C2)nn1 1091347904 SGQUKYDVRXXGTL-JGZJWPJOSA-N 317.353 -0.287 30 20 DBED C[C@@H](NC(=O)C1CCC1)C(=O)NCCN=c1cc[nH]c(C#N)n1 1093712213 PPZDRJWKSQWABH-SNVBAGLBSA-N 316.365 -0.397 30 20 DBED N#Cc1cncc(NCCNC(=O)C[C@@H]2CCCS2(=O)=O)n1 1094011272 CTZQQLSRIAKFRV-NSHDSACASA-N 323.378 -0.156 30 20 DBED C#Cc1cncc(C(=O)NCCNc2ncnc3c2nnn3C)c1 1094126814 XNICSIVLMXFRAY-UHFFFAOYSA-N 322.332 -0.024 30 20 DBED N#Cc1cnc(NCCCNC(=O)CCn2ccnn2)cn1 1094405371 UQUUBVVMSJDJOF-UHFFFAOYSA-N 300.326 -0.052 30 20 DBED N#Cc1cnc(NCCCNC(=O)[C@@H]2CC[C@@H]2C(N)=O)cn1 1094702795 CXKRAHGEMPCTEO-WDEREUQCSA-N 302.338 -0.222 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)Cc3cc(C)[nH]n3)CC2=O)C1 1094719870 GZCCJYCJEAVEDO-CYBMUJFWSA-N 317.393 -0.152 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)CN3CC[C@H](C)C3)CC2=O)C1 1094786853 DISJAVPLCAMOHY-KBPBESRZSA-N 320.437 -0.085 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](N(C)c2ccc(C)nn2)C1 1095111219 OCDPAODIZMCRSA-ZDUSSCGKSA-N 315.377 -0.038 30 20 DBED C[C@@H](CC(N)=O)C(=O)N1CC[C@@H](N(C)c2nccnc2C#N)C1 1095149234 CAEXMDJKCNNMLW-WDEREUQCSA-N 316.365 -0.103 30 20 DBED COC[C@H](OC)C(=O)NCCCN(C)c1cncc(C#N)n1 1095734029 UFTLHBCNORGMQA-LBPRGKRZSA-N 307.354 -0.048 30 20 DBED C[C@@H](CC(=O)N[C@H]1C[C@H](Nc2ccc(C#N)nn2)C1)NC(N)=O 1097072118 YSVXGEKEOMGVLE-LSJOCFKGSA-N 317.353 -0.146 30 20 DBED C[C@@H](C(=O)N[C@H]1C[C@H](Nc2nccnc2C#N)C1)S(C)(=O)=O 1097112959 AQKLVSGYICGOTH-GUBZILKMSA-N 323.378 -0.160 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1C[C@@H](Nc2cnc(C#N)cn2)C1 1097176489 MOPLDQDWTYCJRR-PHIMTYICSA-N 312.333 -0.453 30 20 DBED CCS(=O)(=O)CC(=O)NC[C@@H](C)Nc1cnc(C#N)cn1 1097900434 OUHVPDSVWOOWTH-SECBINFHSA-N 311.367 -0.300 30 20 DBED C[C@@H]1C[C@@H](C(=O)N2CCC(N(CC#N)CCO)CC2)CC(=O)N1 1098414907 KWHXMLWNFFNUBB-CHWSQXEVSA-N 322.409 -0.290 30 20 DBED N#CCN(CCO)C1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)CC1 1098480134 REUGTCLHGUTOKW-OLZOCXBDSA-N 322.409 -0.303 30 20 DBED C#CCNCc1cn([C@H]2CCN(C(=O)C(C)(C)C(N)=O)C2)nn1 1098683328 XVDANXHVPZBGHK-LBPRGKRZSA-N 318.381 -0.714 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2ocnc2C)[C@H](O)C1 1099754020 CEMGPLJCEPJOIH-CHWSQXEVSA-N 307.350 -0.202 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2cc(C)ncn2)[C@@H](O)C1 1099775703 KHLVBLXNYIICMT-HIFRSBDPSA-N 318.377 -0.400 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)Cn2ccnc2)[C@@H](O)C1 1100137076 VVXZQHDNACDNJN-KGLIPLIRSA-N 306.366 -0.916 30 20 DBED C[C@@H](CC(N)=O)C(=O)NC[C@@H]1CCN(c2cncc(C#N)n2)C1 1101035348 CZZGKTGUERCFIN-QWRGUYRKSA-N 316.365 -0.198 30 20 DBED C=CCN1CC2(C[C@@H](NC(=O)CCNC(N)=O)c3nccn32)C1 1101652335 DFQQBQPNHFLHMI-LLVKDONJSA-N 318.381 -0.301 30 20 DBED CC[C@H](CNC(=O)c1nnn(C)n1)Nc1cncc(C#N)n1 1103275607 NVIWHMGMNIKTNZ-MRVPVSSYSA-N 301.314 -0.508 30 20 DBED CC(C)(O)CC(=O)NC[C@@H]1CN(c2ccc(C#N)nn2)CCO1 1104308896 XJSFMVDBSUJWDJ-GFCCVEGCSA-N 319.365 -0.169 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)[C@H]1CN(C)C(=O)N1 1104766326 HRGXQYRNIARWOK-NXEZZACHSA-N 317.353 -0.947 30 20 DBED Cn1ccc(C(=O)NC[C@@H](O)CNc2ccc(C#N)nn2)n1 1105856466 UKAQQXYQTOGRQA-JTQLQIEISA-N 301.310 -0.715 30 20 DBED Cc1ncc(CC(=O)NC[C@H](O)CNc2cncc(C#N)n2)o1 1106004078 LNCOFKSVHHBXGV-LLVKDONJSA-N 316.321 -0.224 30 20 DBED CCN(C)C(C)(C)C(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1 1106010755 FOQIBOHGJIGKQO-LLVKDONJSA-N 320.397 -0.611 30 20 DBED Cc1ccnn1CC(=O)NC[C@H](O)CN=c1cc[nH]cc1C#N 1106134489 WVQRUTRPRAVSOY-CYBMUJFWSA-N 314.349 -0.531 30 20 DBED CCN(CCNc1nccnc1C#N)C(=O)[C@@H]1CN(C)C(=O)N1 1106907127 WCKMRNFDWRBMDA-NSHDSACASA-N 317.353 -0.368 30 20 DBED N#Cc1nc(=NC/C=C/CNC(=O)[C@H]2CCNC(=O)C2)cc[nH]1 1107122315 RZMKSEHFRVAWKQ-GXFZAYBSSA-N 314.349 -0.619 30 20 DBED C[C@]1(C(=O)NC/C=C\CNc2cnc(C#N)cn2)CNC(=O)C1 1107422672 UNFNOKCJJXLCIR-MPNWYJEXSA-N 314.349 -0.041 30 20 DBED C[C@@]1(CNC(=O)c2ccc(C#N)[nH]2)CN(CC(N)=O)CCO1 1107877464 SKSBYKXONVXIDC-CQSZACIVSA-N 305.338 -0.808 30 20 DBED CC#CCN1CCO[C@@](C)(CNC(=O)[C@H]2CCCNC2=O)C1 1108010644 YNFMDFLCBJSWGD-BBRMVZONSA-N 307.394 -0.257 30 20 DBED CN1CC[C@H](CC(=O)NC[C@@]2(C)CN(CC#N)CCO2)C1=O 1108015319 VAYREYQSUOCDGI-DOMZBBRYSA-N 308.382 -0.415 30 20 DBED C[C@H](CNc1ccc(C#N)nn1)NC(=O)[C@]1(C)CCC(=O)N1 1108091467 JMAKESBCDHKWQZ-OTYXRUKQSA-N 302.338 -0.066 30 20 DBED CNC(=O)NCCC(=O)N[C@@H](C)CNc1nccnc1C#N 1108362731 WOZNDWFXCZCORG-VIFPVBQESA-N 305.342 -0.416 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)CCc1cn(C)nn1 1108435619 JNBXNDNHYHHIOB-JTQLQIEISA-N 314.353 -0.552 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2[C@@H](C)COC 1109175452 LLYGJPSACFFYKR-CRWXNKLISA-N 307.394 -0.118 30 20 DBED Cc1n[nH]cc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1109584236 AIWLOTZMVKCKRI-WXHSDQCUSA-N 316.365 -0.307 30 20 DBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cc1cnc[nH]1 1109762254 KJVOKACOHYWWLP-AGIUHOORSA-N 316.365 -0.687 30 20 DBED C[C@]1(NC(=O)Cn2cnnn2)CCN(c2cncc(C#N)n2)C1 1110710281 BPQHJJJEXCWDHQ-ZDUSSCGKSA-N 313.325 -0.880 30 20 DBED N#Cc1nc(=NCCN(CCO)C(=O)c2cocn2)cc[nH]1 1111444945 DQTARUCDPQWKIB-UHFFFAOYSA-N 302.294 -0.695 30 20 DBED N#CCNC(=O)CN1C[C@@H]2CCC[C@]2(NC(=O)C(F)F)C1 1111554447 SSUOPJPEVPKWLK-ZANVPECISA-N 300.309 -0.138 30 20 DBED CC(C)(O)CC(=O)NC[C@H]1COCCN1c1ccc(C#N)nn1 1111677422 CSAOBVRDHJOTAN-LBPRGKRZSA-N 319.365 -0.169 30 20 DBED CC(C)OCC(=O)NC[C@@H]1CN(c2nccnc2C#N)C[C@H]1O 1112709276 HPGDIPLURRTNTG-DGCLKSJQSA-N 319.365 -0.313 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)C3CCOCC3)[C@H]2C1 1113769153 HVGUPXHCYAHFEF-NHAGDIPZSA-N 307.394 -0.238 30 20 DBED CCc1cc(C(=O)N[C@H]2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]32)n[nH]1 1113897447 VKPKNOUAEGPRQU-YABSGUDNSA-N 316.365 -0.728 30 20 DBED C[C@H](CNC(=O)[C@@H]1CC(=O)N(C)C1)N(C)c1cncc(C#N)n1 1113943861 PLNXZGKEJHWEGT-GHMZBOCLSA-N 316.365 -0.233 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)[C@@H](OC)C3CC3)[C@@H]2C1 1114208765 FHNXFXYYCUYUMV-JMSVASOKSA-N 307.394 -0.240 30 20 DBED COCCC1(C(=O)NC2[C@H]3CN(CC(=O)NCC#N)C[C@H]23)CC1 1114386812 GQFKMMRYYWRVOV-RYUDHWBXSA-N 320.393 -0.511 30 20 DBED C=CCCN1C[C@H]2[C@H](NC(=O)CS(=O)(=O)CCOC)[C@H]2C1 1114481134 WCBGSUJOTYARGH-IMRBUKKESA-N 316.423 -0.330 30 20 DBED Cc1n[nH]cc1C(=O)NC1[C@H]2CN(CC(=O)NCC#N)C[C@H]12 1114658823 XPNZXUWNSKSQHH-QWRGUYRKSA-N 302.338 -0.982 30 20 DBED N#CCNC(=O)CN1C[C@@H]2C(NC(=O)Cc3ccc[nH]3)[C@H]2C1 1115269662 KSTWQGQAPQDZDD-RYUDHWBXSA-N 301.350 -0.757 30 20 DBED CN1Cc2ccc(NC(=O)C(=O)NCC(=O)NCC#N)cc2C1 1117461467 VZIWUHXLTSAQES-UHFFFAOYSA-N 315.333 -0.674 30 20 DBED C=C[C@@H](COC)NC(=O)CNS(=O)(=O)c1c(C)noc1C 1117679852 IKGDQBWHKFAAJJ-JTQLQIEISA-N 317.367 -0.113 30 20 DBED Cc1cc(C(=O)NC[C@@H](CO)N=c2cc[nH]c(C#N)n2)on1 1121061769 NFWALFBJQJLTFF-VIFPVBQESA-N 302.294 -0.731 30 20 DBED Cc1cnn(CC(=O)NC[C@@H](CO)N=c2cc[nH]cc2C#N)c1 1121160310 YJMURKYNRXTLEG-ZDUSSCGKSA-N 314.349 -0.531 30 20 DBED Cc1cc(=N[C@@H](CO)CNC(=O)c2cn(C)cn2)c(C#N)c[nH]1 1121302390 AUGMFXATVOGXSP-GFCCVEGCSA-N 314.349 -0.380 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@H](CO)Nc1nc(C)cc(C#N)n1 1121405958 ROPCOFZITRFNFI-IUODEOHRSA-N 319.365 -0.127 30 20 DBED CC[C@H](C(=O)NC[C@H](CO)Nc1cnc(C#N)cn1)N(C)C 1121812105 KBKYYXBXOOQHLD-VXGBXAGGSA-N 306.370 -0.423 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)Cc2nc[nH]n2)cn1 1121993678 KAYCEFBFOSQCHP-NSHDSACASA-N 301.310 -0.797 30 20 DBED C[C@H]1[C@H](NC(=O)CC(N)=O)CCCN1c1ccc(C#N)nn1 1123521372 FHFXFNIIRWCCQX-GXSJLCMTSA-N 302.338 -0.303 30 20 DBED N#Cc1nccnc1NC[C@H]1CC[C@H](NC(=O)CNC(N)=O)C1 1123720952 ZOOOZCGYSKKDHN-UWVGGRQHSA-N 317.353 -0.287 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)C1=CCOCC1 1124255993 CIMYMBCARXGCIB-GFCCVEGCSA-N 317.349 -0.652 30 20 DBED C#CCOCCC(=O)N(C)C[C@H](O)CNc1cnc(C#N)cn1 1124519112 IHHACGGFKNQJSE-CYBMUJFWSA-N 317.349 -0.381 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)CNC(=O)c1ccoc1 1127962546 UVHCWOKIQHVQPD-LLVKDONJSA-N 322.365 -0.594 30 20 DBED C=CCNCc1nnc2n1CC[C@@H](NC(=O)CC(=O)NC)CC2 1127983972 GHZXCSUKONGAAF-NSHDSACASA-N 320.397 -0.489 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)CN(C)C(=O)C2CC2)C1=O 1128624386 ZTTKTFQBVDQZCA-CYBMUJFWSA-N 322.409 -0.653 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)CO[C@@H]2CCOC2)C1 1129004506 RNHGTSRAZCEINQ-MCIONIFRSA-N 319.365 -0.942 30 20 DBED C#CCOCCC(=O)N1C[C@@H]2C[C@@H]3CN(CCO)C[C@]2(C1)O3 1131230695 MZYKYVUTMFSGKP-SQWLQELKSA-N 308.378 -0.680 30 20 DBED C#CCOCCC(=O)N1CCC(=O)NCCN(CCF)CC1 1131362034 KJQAQMXDORKQJF-UHFFFAOYSA-N 313.373 -0.354 30 20 DBED CNC(=O)NC(=O)CN1C[C@@H](NC(=O)C#CC2CC2)CC[C@@H]1C 1132047444 XKBHFQNOXVBGDL-AAEUAGOBSA-N 320.393 -0.176 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)[C@@H]1[C@H]2COC[C@H]21 1132605268 IFUIHGFORSLUQK-IMRBUKKESA-N 308.382 -0.653 30 20 DBED COCC#CCNC[C@H]1CN(C(=O)Cn2cnnn2)CC[C@H]1C 1132618324 SXSBCYDVHKHUIU-KGLIPLIRSA-N 320.397 -0.603 30 20 DBED C=CCCCC(=O)NCCNCC(=O)N[C@H](C)C(=O)N(C)C 1133157805 RDLBBVORUNVROQ-GFCCVEGCSA-N 312.414 -0.359 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)CN1CCCC1=O)NCC(=O)NCC#N 1133633094 NKFIIQIFQBCFNM-NWDGAFQWSA-N 323.397 -0.879 30 20 DBED COCC#CCN[C@@H](C)C[C@@H](C)NC(=O)Cn1cnnc1O 1134134931 PLQJKXOXKPETOH-NWDGAFQWSA-N 309.370 -0.494 30 20 DBED C#CCOc1ccc(C(=O)NCCNCc2nnn(C)n2)cc1 1134950246 FVDSHSCKQALBJN-UHFFFAOYSA-N 314.349 -0.258 30 20 DBED COCC#CCNCCNC(=O)C1(S(C)(=O)=O)CCCC1 1135237291 OLHXSXJDOFEFHF-UHFFFAOYSA-N 316.423 -0.301 30 20 DBED C#CCNC(=O)CNCCNC(=O)C1CCN(CC2CC2)CC1 1147333103 AGVMAGWAUIFVQJ-UHFFFAOYSA-N 320.437 -0.436 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)CCc1cncc(F)c1 1153761346 JFGLHCSUQAJPPM-GFCCVEGCSA-N 320.368 -0.003 30 20 DBED C#CCNC(=O)CC(=O)NCCCNCc1nc(CCC)no1 1156857220 ITNHZJMHGASSSA-UHFFFAOYSA-N 321.381 -0.243 30 20 DBED COCC#CCNCCCNC(=O)c1cnc2[nH]nnc2c1 1160035783 SNBPAOZLKFPWRA-UHFFFAOYSA-N 302.338 -0.288 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@]1(C)CCC(=O)NC1 1164436650 MTKUQVIATWXXBS-OAHLLOKOSA-N 310.398 -0.699 30 20 DBED C=CCN1CC[C@H](NCCCC[C@H](C)NC(=O)CC(N)=O)C1=O 1169936568 DHCAFKVIMNFUIC-STQMWFEESA-N 324.425 -0.087 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)COCCOCC 1177038026 AEINUDWWFBQPTI-CYBMUJFWSA-N 315.414 -0.174 30 20 DBED C=CCOCC(=O)N1CC[C@H](N[C@H]2CCC(=O)NC2=O)[C@@H]1C 1178339089 TXWFWLJXVBIGEW-SRVKXCTJSA-N 309.366 -0.427 30 20 DBED O=C(Cn1cnnn1)N1CC[C@@H](NCC#Cc2ccccc2)C1 1180855870 ZPVAZODWIFOVRK-OAHLLOKOSA-N 310.361 -0.085 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)Cn2cc(C3CC3)nn2)C1 1183228996 AGSKRGNZYGBREH-CQSZACIVSA-N 317.393 -0.004 30 20 DBED C[C@H]1CN(C(=O)Cn2ncn(C)c2=O)CC[C@@H]1CNCC#N 1184682302 CWNCANLPIZDJAW-NWDGAFQWSA-N 306.370 -0.820 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)[C@@H]2CCCN2C(C)=O)C1 1187213739 MGPJJOIDBVUQBQ-CABCVRRESA-N 307.394 -0.162 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC[C@H]2CN(CC(=O)NCC)C[C@H]21 1187755184 JNXVYRNUJHDVRN-WOSRLPQWSA-N 309.410 -0.018 30 20 DBED C=CCNC(=O)CN1C[C@@H]2CCN(C(=O)Cc3ncc[nH]3)[C@@H]2C1 1189530372 JLXMHHZYWKVHFA-QWHCGFSZSA-N 317.393 -0.213 30 20 DBED C=CCCCN(C)[C@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 1191695469 JAFUWNZOJHOMKR-AWEZNQCLSA-N 308.426 -0.083 30 20 DBED C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)Cn2cnnc2O)C1 1192320520 IBSKZWWIUNOJIP-CHWSQXEVSA-N 323.397 -0.109 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)Cc2ccco2)C1 1197089301 CATYQAALPWURCU-IACUBPJLSA-N 319.361 -0.879 30 20 DBED CCO[C@@H]1C[C@H]1C(=O)N1CCC(NCC(=O)NCC#N)CC1 1199484720 CRFLIEVJNCPASS-CHWSQXEVSA-N 308.382 -0.368 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)c2cc(OC)no2)CC1 1200148511 SNGOFAGNZSAQAI-UHFFFAOYSA-N 320.349 -0.373 30 20 DBED C#CCNC(=O)CC(=O)N1CCC(NCC(=O)NCCC)CC1 1200170936 PEUFBTQEKBLMBG-UHFFFAOYSA-N 322.409 -0.767 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CCN(C(=O)c2ncc[nH]2)CC1 1200414333 FLBWQUGCCCRUSD-LLVKDONJSA-N 303.366 -0.258 30 20 DBED C#CCNC(=O)CN[C@@H]1C[C@@H](NC(=O)c2cnon2)C12CCC2 1203508595 ZHRDRWFTMHRCGP-VXGBXAGGSA-N 317.349 -0.550 30 20 DBED C#CCCNCC1CCN(C(=O)CN2CCNC(=O)C2)CC1 1205861031 XJNFSCOTDRPOIZ-UHFFFAOYSA-N 306.410 -0.730 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2cc(C)no2)[C@H](C)C1 1205950688 GVNLCOXJFDWBHB-ZYHUDNBSSA-N 304.350 -0.217 30 20 DBED CC(=O)N1CCO[C@H](C(=O)N2CCC(CNCC#N)CC2)C1 1206905807 OUDXLODEBQWGSO-AWEZNQCLSA-N 308.382 -0.415 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(Cc2nnn(C)n2)C[C@H]1C 1206915866 MUQBHIUABPPILE-GYSYKLTISA-N 308.386 -0.526 30 20 DBED CO[C@@H](C(=O)N1CCC[C@H](NCC(=O)NCC#N)C1)C1CC1 1207934842 JAIXOJNPQDNXFA-GXTWGEPZSA-N 308.382 -0.368 30 20 DBED C#CCCN[C@@H]1CCCN(C(=O)Cn2ccc(=O)n(C)c2=O)C1 1208276554 SRPRKKJTAZLQCG-CYBMUJFWSA-N 318.377 -0.849 30 20 DBED Cc1nocc1C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1208482686 NUVBKMVBGKHVPS-BXKDBHETSA-N 305.338 -0.327 30 20 DBED COCC1(C(=O)N2CCC[C@@H](NCC(=O)NCC#N)C2)CC1 1208558736 RSTGJICUAJUNGX-GFCCVEGCSA-N 308.382 -0.367 30 20 DBED C=CCOCCN1C[C@@H](NC(=O)c2cc[n+]([O-])cc2)[C@H](OC)C1 1211795628 WTTRALGNZFNZQA-HUUCEWRRSA-N 321.377 -0.048 30 20 DBED C=CCOCC(=O)N1C[C@@H](NCCS(C)(=O)=O)[C@H](C)C1 1214331695 MXCAPQHHGNCMIH-VXGBXAGGSA-N 304.412 -0.330 30 20 DBED CC(C)[C@H](C(=O)N1C[C@@H](NCC(=O)NCC#N)[C@H](C)C1)N(C)C 1215476688 QGTWSBQQGIDOFD-UMVBOHGHSA-N 323.441 -0.351 30 20 DBED CC[C@@H](OC)C(=O)N1CCO[C@@H]2CN(CC#CCOC)C[C@@H]21 1217435158 MBVPWWDBWFOBDW-RRFJBIMHSA-N 310.394 -0.027 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)c2csc(O)n2)C1 1220190370 KOQUSDIFQOCDAU-KOLCDFICSA-N 313.379 -0.174 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@H]2CCN(CCOCCO)[C@H]2C1 1222675703 BOTMJZOAWYMFES-OAGGEKHMSA-N 324.421 -0.044 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1ncc[nH]1 1226065854 FTOAAMCQGQBDHU-GHMZBOCLSA-N 304.354 -0.320 30 20 DBED COCC#CCN1CCC(NC(=O)Cc2n[nH]c(C)n2)CC1 1227243655 BIYLXTRCCOPAAS-UHFFFAOYSA-N 305.382 -0.114 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1[nH]nnc1C 1227878786 TUNPXIFZDJVYTP-VXGBXAGGSA-N 318.381 -0.507 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)c1cnn(C)c1C 1230763284 WVHJOTRQEOPAOP-ZDUSSCGKSA-N 317.393 -0.376 30 20 DBED C=CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)c1cnn(C)c1N 1233801054 MTPHOVBSGAYYOK-LLVKDONJSA-N 320.397 -0.549 30 20 DBED C=CCNC(=O)[C@H](C)N(C)CCCNC(=O)CS(C)(=O)=O 1234968653 ZQPZMFBPBPCLTF-NSHDSACASA-N 319.427 -0.840 30 20 DBED C=CCn1cc(CNC(=O)C(=O)NCCc2cscn2)nn1 1261444610 BFXFHHFEWPJYOB-UHFFFAOYSA-N 320.378 -0.104 30 20 DBED CC#CC[C@@H](CO)NC(=O)[C@@H](C)S(=O)(=O)C1CCOCC1 1261500314 NUDCQNDUNSFEMM-NEPJUHHUSA-N 317.407 -0.141 30 20 DBED CCN1C[C@@H](C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1=O 1318695197 UYXYBXSBARRCLT-ZSNVJIKNSA-N 320.349 -0.503 30 20 DBED CCN(CCCNC(=O)C(=O)NCCCC#N)S(C)(=O)=O 1321802416 CDXSLKVEUYPDQD-UHFFFAOYSA-N 318.399 -0.806 30 20 DBED C=CCN(C(=O)[C@@H]1CCC(=O)NC1)[C@@H]1CCS(=O)(=O)C1 1321960853 QBSMWLZNMHYYNS-GHMZBOCLSA-N 300.380 -0.286 30 20 DBED N#CCCNC(=O)CN1CCN(C(=O)N2CCOCC2)CC1 1322096971 IBSUILOZPPENGL-UHFFFAOYSA-N 309.370 -0.914 30 20 DBED Cc1cc(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)n(C)n1 1322654710 OAVGPMTUXUMNFJ-WYMLVPIESA-N 303.322 -0.015 30 20 DBED C#CCSCCNC(=O)C(=O)N1CC[C@](C)(C(=O)NC)C1 1323794280 JFHKGWMYBXMLKE-AWEZNQCLSA-N 311.407 -0.546 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N(C)[C@@H](C)CS(=O)(=O)CC 1323824510 VWLNKLSUZWTNDW-QWRGUYRKSA-N 320.411 -0.415 30 20 DBED C#CCC[C@@H](O)CNC(=O)c1cn(C)c2c(cnn2C)c1=O 1327660884 CAIJJTHMRKMCGT-SNVBAGLBSA-N 302.334 -0.224 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)C(=O)N2CCN(C3CCC3)CC2)C1 1329451377 ATOIWVIXJVEWHP-MRXNPFEDSA-N 320.393 -0.440 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)NCc1cn(CC=C)nn1 1331444865 RPIHERISZLJUIS-GFCCVEGCSA-N 319.365 -0.375 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCC(OC)CC1 1332779913 ZUWKSHBZOGACTD-UHFFFAOYSA-N 318.395 -0.659 30 20 DBED C=CCS(=O)(=O)CCn1nnnc1N1C[C@H]2[C@H](C1)C2(F)F 1335897646 YRCBSBULCRQJGO-IUCAKERBSA-N 319.337 -0.025 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)NC2CCNCC2)CCN1C1CC1 1337456002 RDCNNLYAAPDGIL-ZDUSSCGKSA-N 305.382 -0.947 30 20 DBED CN(C)S(=O)(=O)c1c[nH]c(C(=O)OCC(=O)NCC#N)c1 1338738547 AAVHQPCMBONXLZ-UHFFFAOYSA-N 314.323 -0.938 30 20 DBED C=CCn1c([C@@H](C)CO)nnc1N1CCO[C@@H](C(=O)OC)C1 1339774147 JYLXOYDRVCODFR-WDEREUQCSA-N 310.354 -0.062 30 20 DBED CC[C@@H](O)CCNC(=O)NCCN/C(O)=C1\N=CC=CC1=O 1340494726 MSQQCHHFPYPCKP-LRZCVGBLSA-N 310.354 -0.027 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)C(=O)N[C@@H]2CCCc3c[nH]nc32)C1 1345867807 JHIAKULNXKACJT-IAQYHMDHSA-N 317.349 -0.220 30 20 DBED N#Cc1ccc(NCC(=O)N2CCN3C(=O)NC[C@@H]3C2)nc1 1362051670 XIQOCHOKMCOJQI-LLVKDONJSA-N 300.322 -0.399 30 20 DBED COC(=O)C(C)(C)CCNC(=O)Cn1cc(C#N)c(O)nc1=O 1362639051 MXAYBCABVJXMRD-UHFFFAOYSA-N 322.321 -0.474 30 20 DBED N#CC1(CNC(=O)c2ccc(S(N)(=O)=O)o2)CCOCC1 1363949448 YUAOSELQMLDDSK-UHFFFAOYSA-N 313.335 -0.023 30 20 DBED C[C@@H](C#N)C(=O)NCCN1CCN(Cc2cnnn2C)CC1 1365959408 TVKNQOJCGITPDE-LBPRGKRZSA-N 305.386 -0.791 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CCN(C(=O)c2ccc(C(N)=O)[nH]2)C1 1373200643 OCMOXIDUKXWCRJ-VHSXEESVSA-N 317.349 -0.148 30 20 DBED CCN(CCNC(=O)Cn1cncn1)C(=O)c1cc(C#N)c[nH]1 1373956224 AVYDHLIFSGTUTC-UHFFFAOYSA-N 315.337 -0.244 30 20 DBED CCC[C@@H](NC(N)=O)C(=O)NCC1CN(C(=O)[C@@H](C)C#N)C1 1374878505 PRCAEOVVVVSPRL-GXSJLCMTSA-N 309.370 -0.442 30 20 DBED COC[C@H](O)CN1CC([C@@H](C)NC(=O)c2cc(C#N)c[nH]2)C1 1378489169 FAGMFFYDCGGTMW-ZWNOBZJWSA-N 306.366 -0.056 30 20 DBED C[C@H](C#N)C(=O)N1CCN(CCNC(=O)CCCC(N)=O)CC1 1385527421 KQQLVYPDUZZBLK-GFCCVEGCSA-N 323.397 -0.938 30 20 DBED CC(=O)NCC(=O)N[C@H]1[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]21 1386455470 OYXVJPJIHPSOTP-YABSGUDNSA-N 315.333 -0.791 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)c2ccc(C(N)=O)o2)CC1 1393758768 RPNINLAYWGSLCY-MRVPVSSYSA-N 304.306 -0.083 30 20 DBED C[C@H](C#N)C(=O)NC[C@@]1(C)CCN(C(=O)c2cnn(C)n2)C1 1394443685 VKTSCABOSMQCPD-QMTHXVAHSA-N 304.354 -0.057 30 20 DBED C=C(Cl)CN1CCN(CCNC(=O)CNC(=O)CC)CC1 1398270532 MUMQYALRXTYQLM-UHFFFAOYSA-N 316.833 -0.001 30 20 DBED CC(=O)NCC(=O)N(C)C[C@H](O)CNCc1ccc(C#N)s1 1403839946 XDPVMGNIKRAZGF-LLVKDONJSA-N 324.406 -0.335 30 20 DBED CNC(=O)NC(=O)CN1CCC(CCNC(=O)[C@H](C)C#N)CC1 1405561659 JLPKKPQACLPYOY-LLVKDONJSA-N 323.397 -0.180 30 20 DBED CO[C@H](C1CC1)[C@H](C)NS(=O)(=O)N1CCO[C@@H](C#N)C1 1413342371 PVCOXQSCWJBQKR-DLOVCJGASA-N 303.384 -0.141 30 20 DBED C[C@@H](CNC(=O)c1ccn2nnnc2c1)NC(=O)[C@@H](C)C#N 1415230662 TWKUGAGTGHAYQV-IUCAKERBSA-N 301.310 -0.482 30 20 DBED COCc1nn(C)cc1C(=O)NC[C@@H](C)NC(=O)[C@@H](C)C#N 1416853638 MPQCFQDBCAKNSS-VHSXEESVSA-N 307.354 -0.039 30 20 DBED C[C@@H](C#N)C(=O)N(C)C1CCN(C(=O)c2c[nH]c(=O)cn2)CC1 1427342089 XDOVLAPIGXQFIP-JTQLQIEISA-N 317.349 -0.007 30 20 DBED C[C@H](C#N)C(=O)N(CCNC(=O)c1c[nH]c(C(N)=O)c1)C1CC1 1429888226 BHYLEPJEJWQFNS-SECBINFHSA-N 317.349 -0.006 30 20 DBED C[C@@H](C#N)C(=O)NCC1CN(C(=O)[C@@H](C)CS(C)(=O)=O)C1 1432476075 JGPHELZKNZHVLY-UWVGGRQHSA-N 315.395 -0.599 30 20 DBED C[C@@H]1CCN(CCNC(=O)CCn2cc(C#N)c(O)nc2=O)C1 1444718060 KYIDJHKSAPBJDE-LLVKDONJSA-N 319.365 -0.331 30 20 DBED N#Cc1cccc(CNC[C@@H](O)CNC(=O)[C@H]2C[C@H]2C(N)=O)c1 1445239083 FTJCPSSGKKYQED-MCIONIFRSA-N 316.361 -0.754 30 20 DBED CCn1cc(C(=O)NCCN(CCOC)C(=O)[C@@H](C)C#N)nn1 1452157850 IYEWCHNSXWVTEZ-NSHDSACASA-N 322.369 -0.338 30 20 DBED C[C@@H](C(=O)NCCN1CCC2(C1)OCCO2)n1cnc(C#N)n1 1453787964 XVUKRPKNUJIQJJ-NSHDSACASA-N 320.353 -0.724 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@@H](O)CNCc2ncccn2)c1 1496962953 YKJORJACBYUUPW-NSHDSACASA-N 300.322 -0.443 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)CN1CCCCCC1=O 1501606074 YHACZKXAQFWDCF-VXGBXAGGSA-N 324.381 -0.858 30 20 DBED C[C@@H](C#N)C(=O)N(C)C[C@@H]1CCCN1C(=O)C1(NC(N)=O)CC1 1508283663 TXUAUYXUQDITTE-QWRGUYRKSA-N 321.381 -0.204 30 20 DBED C#CCNCc1cn([C@H]2CCCN(C(=O)CNC(=O)O)C2)nn1 1573311169 IKPYQAGRIJXLQM-LBPRGKRZSA-N 320.353 -0.568 30 20 DBED C[C@]12CN(C(=O)[C@@H](N)CCCCC#N)C[C@]1(C)C(=O)NC2=O 1576552852 FQANCVJNVYAGPK-COLVAYQJSA-N 306.366 -0.091 30 20 DBED N#CCCN1CCN(C(=O)c2cn(CCCCN)nn2)CC1 1580052228 YVQXTCYUMFIMMP-UHFFFAOYSA-N 305.386 -0.312 30 20 DBED N[C@H]1C[C@H](NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 1580429027 NQQYFNZZYRWWDN-KYZUINATSA-N 308.363 -0.669 30 20 DBED N#CC1(C(=O)O)CCN(Cc2nnc3c(=O)[nH]ccn23)CC1 1601051853 FXKMSAQYKPJYOX-UHFFFAOYSA-N 302.294 -0.392 30 20 DBED C=CCOCC(=O)N(C)CCNc1ccc(-c2nn[nH]n2)nn1 1602866941 QEIYOVXSOHUOBY-UHFFFAOYSA-N 318.341 -0.270 30 20 DBED C=CCn1c(Cn2cnc(-c3nn[nH]n3)n2)nnc1N(C)OC 1602880389 WKXBKRFEOIMATD-UHFFFAOYSA-N 317.317 -0.718 30 20 DBED CC1(C#N)CCN(C(=O)C(=O)N2C[C@@H](O)C[C@H](C(=O)O)C2)CC1 1604482036 DKEFADPBNWZBRW-QWRGUYRKSA-N 323.349 -0.567 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N[C@H]2C[C@@H](C(=O)O)C2)CCN1C1CC1 1608179583 KUIFPVMXPFBPSQ-JFGNBEQYSA-N 320.349 -0.835 30 20 DBED N#Cc1cc(C(=O)NC2(CNC(=O)[C@H]3C[C@@H]3C(=O)O)CC2)c[nH]1 1608193871 MLDXKEOQWCQQFC-QWRGUYRKSA-N 316.317 -0.014 30 20 DBED CCCc1nc(Cn2c(N)nc(-c3nn[nH]n3)c2C#N)no1 1609218257 TUFSDFPWAKARPI-UHFFFAOYSA-N 300.286 -0.099 30 20 DBED C[C@H](C#N)C(=O)NCCCN(C)CC(=O)NC[C@H]1CCCO1 1751952765 MUPHZSMJMXNRGB-CHWSQXEVSA-N 310.398 -0.121 30 20 DBED C#CCCN(CC)CCCNC(=O)c1cn(C)c(=O)nc1O 1752231810 MAEKNNQKWGHTMI-UHFFFAOYSA-N 306.366 -0.049 30 20 DBED C=C(C)CCNC[C@@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 1752963430 MYOBNRCDTBTHCT-LBPRGKRZSA-N 320.397 -0.219 30 20 DBED COCC#CCN(C)CCNC(=O)C(C)(C)N1CCOCC1 1753067074 GZSIUEZTGMTTGO-UHFFFAOYSA-N 311.426 -0.205 30 20 DBED C#CCNC(=O)CN(CC)CCNC(=O)c1cncc(OC)n1 1753091351 RVAHYGAUYSFPEO-UHFFFAOYSA-N 319.365 -0.714 30 20 DBED C[C@](O)(CC(=O)NC[C@@H]1CCCN1CC(=O)NCC#N)C1CC1 1753101884 ZNEHGPKMPASFEE-BBRMVZONSA-N 322.409 -0.242 30 20 DBED C#CCCN1CCN(CCN(C)C(=O)[C@@H]2CC[C@H]2C(N)=O)CC1 1753342277 NPEXWJKLUVTQTM-HUUCEWRRSA-N 320.437 -0.403 30 20 DBED C=CCNC(=O)NC(=O)CN1CC(NC(=O)[C@@]23CCC[C@@H]2C3)C1 1753382488 QIQQDIYTMBVJPL-BDJLRTHQSA-N 320.393 -0.011 30 20 DBED C[C@H](CNCC(=O)NCC#N)N(C)C(=O)[C@]1(F)CCOC1 1753709497 ZLOCDLATQVJIAW-MFKMUULPSA-N 300.334 -0.809 30 20 DBED CCN(CCNC[C@@H](O)CN1C(=O)CCC1=O)C(=O)[C@H](C)C#N 1754039332 UNTOZZPUWDTYGQ-VXGBXAGGSA-N 324.381 -0.906 30 20 DBED C#CCNC(=O)[C@H](C)NCCN(CC)C(=O)[C@@H](C)n1cncn1 1754041244 IAMQYLCGENBSTQ-QWHCGFSZSA-N 320.397 -0.585 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H](C)CNCc1nncn1C 1754243250 FIKQPSGKVYBTPX-YPMHNXCESA-N 322.413 -0.120 30 20 DBED C=CCNC(=O)[C@H](C)N1CC[C@@](O)(CNC(=O)C#CC(C)C)C1 1754751849 VRVWLMLJMZMZCF-WMLDXEAASA-N 321.421 -0.111 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(Cc2csnn2)C1 1754767183 LHULQDXVCSGVDW-SNVBAGLBSA-N 310.379 -0.761 30 20 DBED COC[C@H](C)C(=O)N1CCC[C@H]2CN(CC(=O)NCC#N)C[C@H]21 1754869943 AELQURBUMUZCRN-MELADBBJSA-N 322.409 -0.169 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)c2cnon2)C[C@@H]1C 1755167269 METJFORLEBLJNX-WDEREUQCSA-N 307.354 -0.046 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H](C)CCNC(=O)[C@H]1CCC(=O)N1 1755168949 VEZPHSHFBVEXGJ-SDDRHHMPSA-N 310.398 -0.560 30 20 DBED C=CCCN1CCC(CO)(NC(=O)CS(C)(=O)=O)CC1 1755176825 VECINLXEEPTAFN-UHFFFAOYSA-N 304.412 -0.450 30 20 DBED Cc1nonc1CC(=O)N[C@H](C)[C@@H](C)NCC(=O)NCC#N 1755261639 GEGHGWVMFZRPEV-RKDXNWHRSA-N 308.342 -0.957 30 20 DBED Cc1nc(C)c(C(=O)NC[C@@H](C)N(C)CC(=O)NCC#N)[nH]1 1755316375 JWFKURYBIIBTLB-SECBINFHSA-N 306.370 -0.284 30 20 DBED C#CCN[C@@H](C)[C@H]1CN(C(=O)C(C)(C)N2CCOCC2)CCO1 1755462641 XVIPAUXPBUTDHC-LSDHHAIUSA-N 323.437 -0.064 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@H](O)CN(C)C(=O)C1CCCC1 1755770721 XSLCEXHIDQLLGL-OCCSQVGLSA-N 309.410 -0.277 30 20 DBED C[C@H](CN(C)C(=O)[C@H]1CC(=O)N(C)C1)NC(=O)C#CC1CC1 1756462441 VMYFLCHBWRBBCM-YPMHNXCESA-N 305.378 -0.159 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2CCC(=O)N2)C1 1757317291 NAFLUZVMTILXEW-BUWBCJGYSA-N 323.393 -0.397 30 20 DBED O=C(C#CC1CC1)NC[C@H]1C[C@@H](NC(=O)Cc2nc[nH]n2)C1 1757318119 OPCGUJSBIBUMAL-TXEJJXNPSA-N 301.350 -0.228 30 20 DBED Cn1nc(C(=O)O)cc1C=NN[C@H]1CCCS(=O)(=O)C1 1776093117 ZLYILKLGRLQZPU-QMMMGPOBSA-N 300.340 -0.381 30 20 DBED O=C(O)c1ccc(C=NN2C(=O)[C@@H]3[C@H]4C=C[C@@H](O4)[C@@H]3C2=O)[nH]1 1776101969 CYJQCWPATUJEMQ-DBIOUOCHSA-N 301.258 -0.015 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCC[C@@](O)(C(=O)O)C1 1776857415 GQMRQVZTFOMNRZ-JQWIXIFHSA-N 319.383 -0.376 30 20 DBED C[C@H](CN)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC#N)[C@H]2C1 1786365411 ITMUKJJJIWOODU-VOAKCMCISA-N 308.382 -0.525 30 20 DBED C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CNC(=O)N(C)C)C2 1801594877 HVSWHEHPDTUWGU-ZSBIGDGJSA-N 306.366 -0.471 30 20 DBED Cn1cccc1C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846195052 WWQYFXILIRTIKI-UHFFFAOYSA-N 315.329 -0.070 30 20 DBED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)[C@@H]1CCOC1)C2 1846197239 JNOMBSQXLAHTNV-LLVKDONJSA-N 306.318 -0.686 30 20 DBED COC[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C#CC(=O)O 1847864878 BTCMPVXXODAIEO-SRVKXCTJSA-N 308.334 -0.441 30 20 DBED C#Cc1cccc(NC(=O)CN(C)CC(=O)NC(=O)NC)c1 53205983 DHLYPBFAJGEZHG-UHFFFAOYSA-N 302.334 -0.006 30 20 DBED CN(CCC#N)S(=O)(=O)N1CCNC[C@@H]1c1nccn1C 262027038 NSFBWPDUBHRVQW-LLVKDONJSA-N 312.399 -0.543 30 20 DBED C/N=C(\NCC1CCN(C)CC1)NC[C@@H](O)c1cnn(C)c1 262406777 OVULCQXQTKXHLV-CQSZACIVSA-N 308.430 -0.040 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@](C)(CN)C(C)C)C1=O 262605804 BPXPBZJKSOZBBE-CQSZACIVSA-N 310.354 -0.547 30 20 DBED COCC[C@@H](CO)NC(=O)C(=O)N1CCc2ccc(C#N)cc21 281648259 XEXWLFNNCDYOSK-ZDUSSCGKSA-N 317.345 -0.039 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCc2cccnc2)C1=O 283239676 WCVSLUDKYDPXCI-CYBMUJFWSA-N 316.361 -0.057 30 20 DBED C=CCN(C)C(=O)C(=O)N1CCN(C(=O)CN(CC)CC)CC1 298133541 QHMBMSKSJQNRBU-UHFFFAOYSA-N 324.425 -0.357 30 20 DBED C#CCN(C)CCCNc1nc2c([nH]1)c(=O)n(C)c(=O)n2C 328143281 CICHHXXZNPXWPP-UHFFFAOYSA-N 304.354 -0.673 30 20 DBED C[C@@H]1OCC[C@@H]1/N=C(/O)N(C)C[C@H](O)CN1CCOCC1 328951008 NMDWFGIBRPOONZ-AVGNSLFASA-N 301.387 -0.297 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)NCCN1CCN(C)CC1 330381697 INBHBHXQSLNNKF-LBPRGKRZSA-N 303.432 -0.840 30 20 DBED C[C@H](O)C[C@H]1COCCN1S(=O)(=O)N(C)C[C@@H](C)C#N 336938595 HRCYEALQPWORGH-SRVKXCTJSA-N 305.400 -0.206 30 20 DBED N#CCNC(=O)CNC(=O)c1ccc(N2CCOCC2)cc1 343507861 OGKFKWFLPYOIDN-UHFFFAOYSA-N 302.334 -0.107 30 20 DBED N#CCNC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCO2 352528368 LJJOFMOTUIDABE-UHFFFAOYSA-N 311.319 -0.624 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(C)CC(C)(C)C#N)C1=O 353176309 WAVSLOLMJGOTIR-UHFFFAOYSA-N 306.322 -0.029 30 20 DBED CC[C@@H](C(=O)OC)N1CCN(S(=O)(=O)[C@@H](C)C#N)CC1 416478841 FDRGVLYRUSDPDF-QWRGUYRKSA-N 303.384 -0.203 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCC(F)(F)CN 418817568 BKAMTACPECRQSJ-ZJUUUORDSA-N 305.325 -0.206 30 20 DBED C=CCCn1cc(C(=O)NCCS(=O)(=O)NC(C)C)nn1 424630180 SLKWYKOLYQAQCU-UHFFFAOYSA-N 315.399 -0.088 30 20 DBED N#Cc1cc(NC(=O)C(=O)N2C[C@H](O)C[C@H]2CO)ccc1F 442270384 LJSAUQIHBOQCKY-WDEREUQCSA-N 307.281 -0.410 30 20 DBED N#Cc1ccc(NCC(=O)N[C@@H]2CCCN(CCCO)C2)nc1 452794805 HTGOKRUJROGOHY-CQSZACIVSA-N 317.393 0.328 30 20 DBED CN(CCC#N)S(=O)(=O)NCC1(C(=O)O)CCOCC1 548208391 WDVSRVXQYSJOQP-UHFFFAOYSA-N 305.356 -0.452 30 20 DBED CN(CCCc1[nH]nc(N)c1C#N)c1cc(=O)n(C)c(=O)n1C 596061225 DQLMNRDOBJJJGE-UHFFFAOYSA-N 317.353 -0.670 30 20 DBED CCN(C(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C)[C@H](C)C#N 598355150 ABGOJYYQPMQDDU-SECBINFHSA-N 317.349 -0.050 30 20 DBED CN(C)S(=O)(=O)N1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 610489860 CHKSHXUBTAJEFT-UHFFFAOYSA-N 311.367 -0.549 30 20 DBED Cc1nn2cc(S(=O)(=O)NCC#CCO)cnc2c1Cl 632515547 GLLVQJKYWNFGDV-UHFFFAOYSA-N 314.754 -0.035 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2CCCOC2)C1=O 671338285 FMEIJDXCCSGPOI-STQMWFEESA-N 323.393 -0.226 30 20 DBED CCOC(=O)C1=C(CN2CCO[C@H](C#N)C2)NC(=O)N[C@H]1C 730062413 NRGOQUAMRLTLBI-VHSXEESVSA-N 308.338 -0.271 30 20 DBED C=CCN1C(=O)C(=O)N(Cc2noc(CCCC(=O)O)n2)C1=O 736106453 DGNPGESWAUJLEJ-UHFFFAOYSA-N 322.277 -0.046 30 20 DBED C[C@@H]1CN(c2nccnc2C#N)CCN1CCS(N)(=O)=O 756908791 FYDYWFKNNPHQBP-SNVBAGLBSA-N 310.383 -0.853 30 20 DBED COCC#CCOC(=O)C1=CC=CN2CCS(=O)(=O)N=C12 762754141 REBAIRHRCDVZQC-UHFFFAOYSA-N 310.331 -0.323 30 20 DBED C#C[C@@H](NC(=O)N1CCN(CCOC)C(=O)C1)[C@H]1CCCO1 773550503 WNBDKDZFWCBTEC-CHWSQXEVSA-N 309.366 -0.333 30 20 DBED C=CCS(=O)(=O)CCNC(=O)Cn1cc([N+](=O)[O-])cn1 783539217 KUDJZDALZDWWES-UHFFFAOYSA-N 302.312 -0.492 30 20 DBED C#C[C@H](NC(=O)C(=O)NCCc1cnccn1)[C@@H]1CCCO1 793487138 IXNFSNUTKNVCIC-STQMWFEESA-N 302.334 -0.568 30 20 DBED C#CCN1CCN(C(=O)CN[C@@](C)(COC)CC(=O)O)CC1 825618494 CKAZYDAZAXKIOY-OAHLLOKOSA-N 311.382 -0.767 30 20 DBED N#C[C@@H]1CNC[C@H]1NC(=O)CNC(=O)c1ccc(F)cc1F 834516673 KOHVKCMBOKHAEU-PRHODGIISA-N 308.288 -0.078 30 20 DBED CN(C)c1c(C=NNc2ccncn2)c(=O)n(C)c(=O)n1C 835000261 CGTPZGARFWDRGN-UHFFFAOYSA-N 303.326 -0.614 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N[C@H]1CC(=O)N(CC)C1 836391022 DBDJZERIDLDHCC-JTQLQIEISA-N 303.384 -0.493 30 20 DBED C#CCN1CCC(C(=O)N2C[C@@H](O)C[C@@H](C(=O)OC)C2)CC1 844109434 GPVMNTSEUORTJQ-KGLIPLIRSA-N 308.378 -0.286 30 20 DBED N#Cc1cccc(S(=O)(=O)NCC(=O)NN2CCOC2=O)c1 863938417 RSBNWAWBMHWSPF-UHFFFAOYSA-N 324.318 -0.680 30 20 DBED C#CC[C@H](CO)NC(=O)N[C@H]1CCN(C2CCN(C)CC2)C1 918912921 KGSJIXNDZGLYQC-UONOGXRCSA-N 308.426 -0.162 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCN(C(=O)[C@@H](C)C#N)C2)nn1 937969652 OJZCUDRVLQJWRP-QWRGUYRKSA-N 302.338 -0.046 30 20 DBED N#Cc1cc(C(=O)N2CC[C@H](NC(=O)[C@H]3CCNC3=O)C2)c[nH]1 938406768 LRQBOAIHXZLDMI-JQWIXIFHSA-N 315.333 -0.647 30 20 DBED C#Cc1cncc(C(=O)N2CC[C@H](NC(=O)c3nc[nH]n3)C2)c1 938450898 SQXGXYCIDKWQHG-LBPRGKRZSA-N 310.317 -0.175 30 20 DBED Cn1ncc(C(=O)N[C@@H]2CCN(C(=O)C#CC3CC3)C2)c1N 940112691 CTACFXKSFXQNER-LLVKDONJSA-N 301.350 -0.254 30 20 DBED Cc1ncc(C(=O)NC[C@H]2CN(C(=O)[C@@H](C)C#N)CCO2)[nH]1 944511295 VJSBJWZNDUBDLV-ONGXEEELSA-N 305.338 -0.165 30 20 DBED CN1CC[C@@H](C(=O)NC[C@@H]2CN(C(=O)C#CC3CC3)CCO2)C1 944596826 NJGDLFIFIQIUSE-HUUCEWRRSA-N 319.405 -0.305 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)C[C@@H]1C 948071331 XACIHUAUPDEDRN-RYUDHWBXSA-N 320.397 -0.078 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)C[C@H]1C 948071391 XOXYIFGJFYUQDP-NEPJUHHUSA-N 318.381 -0.631 30 20 DBED C[C@H](C#N)C(=O)N1CCC(NC(=O)[C@@H]2COCCN2C)CC1 948096251 IKZNIZAMFJLPSS-YPMHNXCESA-N 308.382 -0.416 30 20 DBED CN(C(=O)c1cc(C#N)c[nH]1)C1CN(C(=O)[C@H]2COCCO2)C1 953990413 VPFGIFZFMDHEHQ-CYBMUJFWSA-N 318.333 -0.415 30 20 DBED CN(C(=O)c1cc(C#N)c[nH]1)C1CN(C(=O)C2(C(N)=O)CC2)C1 953997748 JIGIGDCOGOFWNB-UHFFFAOYSA-N 315.333 -0.565 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]1(C)CCN(C(=O)CC(N)=O)C1 957632346 JURUPAZJBRFASG-ZETOZRRWSA-N 309.366 -0.440 30 20 DBED CC#CCN1C[C@@H](O)[C@H](CNC(=O)c2ccnc3[nH]nnc23)C1 958248572 KVVLKYGAYLYJOK-ZYHUDNBSSA-N 314.349 -0.601 30 20 DBED C=CCN1C[C@@H](O)[C@H](CNC(=O)c2ccnc3[nH]nnc23)C1 958249255 SOIZGNCNEJKRMK-MWLCHTKSSA-N 302.338 -0.439 30 20 DBED CC#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cncc(OC)n2)C1 958463090 LQFOVWMBCNERPX-WCQYABFASA-N 304.350 -0.469 30 20 DBED C#Cc1ccc(C(=O)NC2[C@H]3CN(Cc4nnn(C)n4)C[C@H]23)nc1 962328708 DIEGIMAVQJPTKZ-RYUDHWBXSA-N 323.360 -0.553 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H]2CN(C(=O)[C@@H]3CCC(=O)N3)C[C@H]21 963825761 AKTSQQNTVKYIBD-ZDEQEGDKSA-N 318.377 -0.126 30 20 DBED C[C@@H]1CCN(CC#N)C[C@@H]1NC(=O)c1nccnc1C(N)=O 968627939 QBQXWZSRFUAPTF-ZJUUUORDSA-N 302.338 -0.461 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@@H](N[C@H](CC)C(N)=O)C1 968956706 UXDHYBHQNRANKO-MCIONIFRSA-N 306.410 -0.462 30 20 DBED C=CCN(C)[C@H]1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)C1 971641904 PXCSKIYQVCIKDT-LBPRGKRZSA-N 306.366 -0.734 30 20 DBED N#CCN1CCO[C@@]2(CCN(C(=O)c3nccnc3N)C2)C1 972307842 FKCODCALXSFEJE-AWEZNQCLSA-N 302.338 -0.501 30 20 DBED C#CCCN1CCO[C@@]2(CCN(C(=O)c3ncn(C)n3)C2)C1 972372345 XYSWJWKVAIMVKB-HNNXBMFYSA-N 303.366 -0.245 30 20 DBED N#CCN1CCCC2(C1)CN(C(=O)c1nnc(O)nc1O)C2 981871592 BMZNEOXJKXFSLT-UHFFFAOYSA-N 304.310 -0.656 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC(NC(=O)c3ccc(O)nn3)C2)c1 990147270 MEZJVZMKMGEAJL-UHFFFAOYSA-N 312.289 -0.364 30 20 DBED COC(=O)[C@H]1C[C@H]1C(=O)NC1CN(C(=O)c2c[nH]c(C#N)c2)C1 990466866 FSTKKPHNRQOMJM-NEPJUHHUSA-N 316.317 -0.364 30 20 DBED Cc1c(C(=O)NC2CN(C(=O)c3c[nH]c(C#N)c3)C2)nnn1C 990597222 QCURJOUYVPXOSX-UHFFFAOYSA-N 313.321 -0.422 30 20 DBED CC#CCN1CCC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@H]1C 993332030 GPHAVXLEIOMEEY-NEPJUHHUSA-N 318.381 -0.631 30 20 DBED C#CCCN1CCC[C@H](NC(=O)Cn2nc(C)n(C)c2=O)[C@@H]1C 994326837 JLCQJWYYMSPHMU-JSGCOSHPSA-N 319.409 -0.117 30 20 DBED Cc1nonc1C(=O)NC1CN(C(=O)c2cc(C#N)c[nH]2)C1 994935846 YDECKIWSVBZJFM-UHFFFAOYSA-N 300.278 -0.168 30 20 DBED C#CCN1CCC([C@@H](C)NC(=O)c2nnc(O)nc2O)CC1 997204646 CTJJBRROXYWMQZ-SECBINFHSA-N 305.338 -0.254 30 20 DBED C#CCN1CCC(C(=O)N(C)C2CC(NCC(N)=O)C2)CC1 999871797 ZITBXUAFMKEVEF-UHFFFAOYSA-N 306.410 -0.604 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](NCc2nnnn2C)C1 1000230326 BVCXCNRMYRPVQU-XQQFMLRXSA-N 320.397 -0.118 30 20 DBED CN(C[C@@H]1CCCN1C(=O)C#CC1CC1)C(=O)[C@H]1C[C@H]1C(N)=O 1002488609 NXYYQWPBTVLWKC-MJBXVCDLSA-N 317.389 -0.029 30 20 DBED C[C@H](C#N)C(=O)N1CC(CNC(=O)[C@H]2CCN(C)C(=O)C2)C1 1003065119 YHHFBWHRWFUHSV-PWSUYJOCSA-N 306.366 -0.411 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@H]1CN2C(=O)CCn1cnnn1 1007486097 SFIGNBATSHYDNT-TUAOUCFPSA-N 317.353 -0.575 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2C[C@@H](C)N(C(=O)CC(N)=O)C2)nc1 1012407439 HELDGSQUYQUHFE-ZYHUDNBSSA-N 314.345 -0.343 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1[C@H]2CN(C(=O)c3nc[nH]n3)C[C@H]12 1013817321 XODIFZWVRZJPQV-RCWTZXSCSA-N 317.349 -0.418 30 20 DBED C=CCN1CC[C@H](NC(=O)CN2CCCCS2(=O)=O)C1 1015289778 KZHBRLLRAXVJRQ-LBPRGKRZSA-N 301.412 -0.212 30 20 DBED Cc1nonc1C(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1024425242 PSIIXSZXTLXBEU-GHMZBOCLSA-N 304.306 -0.907 30 20 DBED C=CCN1CCC[C@H]([C@H](C)NC(=O)c2cn(CC(N)=O)nn2)C1 1025629949 NGAQCGWPDLVMBX-RYUDHWBXSA-N 320.397 -0.220 30 20 DBED CC#CCN1CC[C@H](CNC(=O)c2cnc(O)n(C)c2=O)C1 1028734532 ZUULZEZGWHUPEL-LLVKDONJSA-N 304.350 -0.439 30 20 DBED N#CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CN2CC3CC2(CO1)C3 1032529631 QJTCWWJZSPCLEJ-GARWAMKOSA-N 302.378 -0.342 30 20 DBED C#CCCN1CCCC[C@@H](NC(=O)c2nnc(O)nc2O)C1 1034290762 IJOYNCZIRRMVSP-SNVBAGLBSA-N 305.338 -0.110 30 20 DBED C#CCN1CCCC[C@H](NC(=O)CN2CC(=O)N(C)C2=O)C1 1034492326 MSTLQQUUOQCUSQ-LBPRGKRZSA-N 306.366 -0.516 30 20 DBED C=CCCn1cc(C(=O)NC[C@H]2CN(CCOC)CCO2)nn1 1035536609 URXVYGVEYMNCRC-ZDUSSCGKSA-N 323.397 -0.069 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2CN(CC(=O)NC)CCO2)nc1 1035582327 GSVAFPJKRHAPSR-ZDUSSCGKSA-N 316.361 -0.761 30 20 DBED Cn1cnc(C(=O)N2CC[C@@H]3[C@H](CCN3CC#N)C2)cc1=O 1036739612 BKRMVZPSDYVKTG-DGCLKSJQSA-N 301.350 -0.160 30 20 DBED C=C(C)CN1C[C@H]2C[C@H]1[C@@H]2NC(=O)CN1CCN(C)C(=O)C1 1037462737 FYLZHLFUERRYEC-DVOMOZLQSA-N 306.410 -0.475 30 20 DBED C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CN1CC(=O)NC1=O 1039453020 BZDMBXCVKGVSHL-NEPJUHHUSA-N 304.350 -0.763 30 20 DBED CC(=O)NCC(=O)N1CC[C@@](O)(CNC(=O)C#CC(C)(C)C)C1 1039684734 DEJPVTDFRRREKN-MRXNPFEDSA-N 323.393 -0.748 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@@](O)(CNC(=O)c2nnn(C)n2)C1 1040593464 GXKKWYSJKCLGNG-CQSZACIVSA-N 322.369 -0.885 30 20 DBED Cc1nc(C(=O)N2CC[C@](O)(CNC(=O)[C@H](C)C#N)C2)co1 1040764752 YOLNPACJQXLNPJ-OTYXRUKQSA-N 306.322 -0.164 30 20 DBED C#CCN1CC[C@@]2(CCN(C(=O)[C@@H]3COCCN3C(C)=O)C2)C1 1041839611 OWDALGZBQAOUFA-DOTOQJQBSA-N 319.405 -0.209 30 20 DBED C#CCN1CC[C@H]2CCN(C(=O)CN3CC(=O)NC3=O)C[C@@H]21 1042273875 VOMHFVBWHQWEEW-RYUDHWBXSA-N 304.350 -0.906 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2c[nH]nc2C)C1 1043041081 FPGUWAGNQJLARX-NSHDSACASA-N 320.349 -0.940 30 20 DBED C=C(C)CCC(=O)NCC1(O)CN(C(=O)c2ccc(O)nn2)C1 1043312696 WPZRPEIUFLNQDX-UHFFFAOYSA-N 320.349 -0.158 30 20 DBED C=CCCOCC(=O)NCC1(O)CN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1043569095 SCIUFINSQKBEOD-IMRBUKKESA-N 324.377 -0.839 30 20 DBED N#Cc1nccnc1N1C[C@H](O)[C@H](NC(=O)C2=COCCC2)C1 1043873526 DANFUQREGSORAG-OLZOCXBDSA-N 315.333 -0.292 30 20 DBED C=C[C@H](CC)CC(=O)N1CC(O)(CNC(=O)c2nc[nH]n2)C1 1044788561 CILNPLYYKUZFKM-SNVBAGLBSA-N 307.354 -0.290 30 20 DBED Cc1ncc(C(=O)NCC2(O)CN(C(=O)C#CC3CC3)C2)n1C 1045148899 ZRJIUVYBOHQPPI-UHFFFAOYSA-N 316.361 -0.555 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)C[C@H]2CCN(C)C2)C1 1045546259 JZBFBMKXCOZMDV-NWDGAFQWSA-N 308.382 -0.823 30 20 DBED C#CCN1CC[C@H](N2CCN(C(=O)C[C@@H]3CCNC3=O)CC2)C1 1046035559 PBKRKKVTOSEYJB-GJZGRUSLSA-N 318.421 -0.636 30 20 DBED C#CCCN1CC[C@](C)(NC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 1046505683 JKHIGQLJKKBMDQ-BBRMVZONSA-N 315.377 -0.031 30 20 DBED Cn1nc(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)N(CC#N)C3)ccc1=O 1047193744 JGEGPIXPLAQTGH-SRVKXCTJSA-N 301.350 -0.113 30 20 DBED CC#CCN1CCC2(CC1)CN(C(=O)C[C@H]1CC(=O)NC1=O)C2 1050775805 BLIMURYBMAPFGB-CYBMUJFWSA-N 317.389 -0.013 30 20 DBED C#CCOCCC(=O)N[C@H](C)[C@H]1CCN(C(=O)c2cnn[nH]2)C1 1051127394 BBUPLYCJSIFSJA-NEPJUHHUSA-N 319.365 -0.189 30 20 DBED C=CCCn1cc(C(=O)NC[C@@H]2COCCN2CCCO)nn1 1051156971 CXXCSKUKDCJELK-CYBMUJFWSA-N 323.397 -0.333 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)CNC(C)=O)C[C@@H]1C 1051824155 GFFROGOARJTNDI-AAEUAGOBSA-N 311.382 -0.464 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1C 1051933076 CLUHQNRFQXDBOW-VXGBXAGGSA-N 308.382 -0.331 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)Cc2nc[nH]n2)C[C@@H]1C 1053480185 VNBNRPXKPFDONL-NWDGAFQWSA-N 321.381 -0.240 30 20 DBED C#CCCN1CC2(CC[C@@H](CNC(=O)[C@H]3CCC(=O)NC3)O2)C1 1053620394 LLFPNZYIBAAVTP-KBPBESRZSA-N 319.405 -0.115 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)[C@H]3CN(C)CCO3)CO2)C1 1053766418 MWWAWEPQRKTKMR-ZIAGYGMSSA-N 307.394 -0.700 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@](CO)(NC(=O)Cn2ccnc2)C1 1055996524 FQAHRKUXWMIPLA-WFASDCNBSA-N 319.365 -0.488 30 20 DBED Cn1nncc1C(=O)N[C@H]1[C@@H]2CN(c3ccnc(C#N)n3)C[C@@H]21 1056196019 XTXIMLNDWWKHEF-WOFXILAISA-N 310.321 -0.659 30 20 DBED Cn1ncc(C(=O)N[C@H]2[C@@H]3CN(c4ccc(C#N)cn4)C[C@@H]32)n1 1056257026 OEFKTFFKCBAQSL-YABSGUDNSA-N 309.333 -0.054 30 20 DBED N#Cc1ccc(N2C[C@H]3[C@H](NC(=O)[C@H]4C[C@H]4C(N)=O)[C@H]3C2)cn1 1056406146 BCPBHTJNWSSJAU-BJJPWKGXSA-N 311.345 -0.375 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)Cc1n[nH]c(C)n1 1057171266 VMKRPPNDMBDPGN-UHFFFAOYSA-N 309.370 -0.441 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)[C@@]1(F)CCOC1 1057445494 XIDMAAAILRNEIP-OAHLLOKOSA-N 314.357 -0.144 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)[C@@]1(C)CNC(=O)C1 1057447029 NMVYPCQBQMBFBK-MRXNPFEDSA-N 323.393 -0.747 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H]1CCCN(C(=O)[C@@H]2CNC(=O)N2)C1 1057747933 CQDZYAWYIWRMOB-YPMHNXCESA-N 314.349 -0.541 30 20 DBED CCCN1CCC[C@@H]1C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N 1057853509 RVDFDTAGTIVWKV-UONOGXRCSA-N 324.425 -0.042 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)CCn1ccnc1 1058199204 FYGVMJSHUHDFQB-LBPRGKRZSA-N 307.354 -0.630 30 20 DBED Cc1cc(O)ncc1C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N 1058656971 NVTPGLBGHKUXFW-NSHDSACASA-N 320.349 -0.194 30 20 DBED N#CCSCC(=O)NCCN(CCO)C(=O)c1ccnnc1 1058935649 GOMMINPKWVBAMF-UHFFFAOYSA-N 323.378 -0.716 30 20 DBED N#Cc1ccc(N2[C@H]3CC[C@H]2CC(NC(=O)C(N)=O)C3)nn1 1059510342 PTRMJKHMOHNQRD-QWRGUYRKSA-N 300.322 -0.550 30 20 DBED N#Cc1nccnc1N[C@H]1C[C@@H](NC(=O)[C@@H]2COCCO2)C1 1059563587 GFBWJVLWRBSWBB-UMNHJUIQSA-N 303.322 -0.177 30 20 DBED N#Cc1cnc(NC[C@H]2CCCN(C(=O)CC(N)=O)C2)cn1 1060010368 ZKASZGFGAWIXBV-SNVBAGLBSA-N 302.338 -0.126 30 20 DBED N#Cc1cnc(N2CCC[C@H]2CNC(=O)[C@H]2COC(=O)N2)cn1 1061353902 TYZINXDUXMXTMB-WDEREUQCSA-N 316.321 -0.458 30 20 DBED C=CCCC(=O)N1CCOC[C@H]1CNC(=O)C1CN(C(C)=O)C1 1061530003 IDMSPHNCFCYCBG-CQSZACIVSA-N 323.393 -0.226 30 20 DBED Cn1nncc1C(=O)NC[C@H]1CCN(c2ccc(C#N)nn2)C1 1061592637 QJBRXMMSVMROCM-SNVBAGLBSA-N 312.337 -0.267 30 20 DBED Cc1ncncc1C(=O)N1CCOC[C@@H]1CNC(=O)[C@@H](C)C#N 1061848491 ZBROOWPRTJVRJZ-JQWIXIFHSA-N 317.349 -0.098 30 20 DBED N#Cc1ccc(N2CCO[C@H](CNC(=O)c3cnco3)C2)nn1 1063647382 JJFWYNJDQKURRQ-LLVKDONJSA-N 314.305 -0.029 30 20 DBED N#CCSCC(=O)NC1(CNC(=O)[C@@H]2CCNC2=O)CCC1 1063906377 CLCBOJUUXQSYBF-SNVBAGLBSA-N 324.406 -0.466 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H]1CN(C(=O)C(C)C)CCO1 1064865213 RQBXUBIQCMGKEB-GFCCVEGCSA-N 309.366 -0.875 30 20 DBED C=CCOCC(=O)N1CC2(C[C@@H](NC(=O)c3cn[nH]c3)CO2)C1 1068715986 WZGVTCOHGLMNJW-GFCCVEGCSA-N 320.349 -0.288 30 20 DBED C=CCCOCC(=O)N[C@@H]1COC2(C1)CN(C(=O)COC)C2 1068905758 LQKBJFQTQSYMFS-LBPRGKRZSA-N 312.366 -0.288 30 20 DBED C=CCN1CCn2ncc(CNC(=O)[C@H]3CC(=O)N(C)C3)c2C1 1069862310 JSLQBBWSUBIODV-LBPRGKRZSA-N 317.393 -0.021 30 20 DBED Cc1conc1C(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1 1070070799 UHQCFEWMOQWPSD-MNOVXSKESA-N 301.310 -0.247 30 20 DBED N#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)CN2CCCC2)C1 1070098874 XBGXDXKHHLCLKS-OLZOCXBDSA-N 303.370 -0.761 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCCN(C(=O)Cn2nccn2)C1 1070791562 QDAKVNVNWHZAHK-CYBMUJFWSA-N 319.365 -0.575 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)C2CCOCC2)CC1 1070931446 WGHVLPCGWCXHPO-UHFFFAOYSA-N 307.394 -0.303 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)c2cncnc2O)CC1 1070972909 SBZMBGSUHMNUQZ-UHFFFAOYSA-N 317.349 -0.921 30 20 DBED C=C(C)CN1CCNC(=O)CCN(C(=O)[C@H]2CCNC2=O)CC1 1070985853 WLUITTMHEWGFOB-ZDUSSCGKSA-N 322.409 -0.651 30 20 DBED C#CCN1CCN([C@@H]2CCCN(C(=O)[C@H]3CCCO3)C2)C(=O)C1 1071254036 UUBPBJAQFUNZCG-HUUCEWRRSA-N 319.405 -0.066 30 20 DBED C[C@H]1CN(C(=O)CNC(N)=O)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 1071573695 HNHQPTQLHDOLNE-GZMMTYOYSA-N 318.337 -0.869 30 20 DBED C#CCCN1CCC2(C1)CN(C(=O)c1cn(C)c(=O)nc1O)C2 1073425311 NOGZZHGSYXWMLP-UHFFFAOYSA-N 316.361 -0.343 30 20 DBED C=CCN1CCCO[C@@H](CNC(=O)C2CC(=O)NC(=O)C2)C1 1073818026 AJZQEQDFJPTJCF-LBPRGKRZSA-N 309.366 -0.568 30 20 DBED C=CCOCC(=O)N1CC[C@@H](NC(=O)Cn2nccn2)C[C@H]1C 1075005593 CFUWDWKXRFIESU-CHWSQXEVSA-N 321.381 -0.024 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)c1ccccn1 1076220314 YRGTVVUNCUEGMZ-LBPRGKRZSA-N 316.361 -0.154 30 20 DBED N#CCN1C[C@@H]2CCN(C(=O)[C@H]3CCc4nncn4C3)[C@@H]2C1 1076600566 LBUXWONBFXXUTJ-RWMBFGLXSA-N 300.366 -0.103 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H](C)CCNC(=O)CCn1cnnn1 1078025793 WUROCSDHFSHFBZ-RYUDHWBXSA-N 324.385 -0.335 30 20 DBED N#CCN[C@H]1C[C@H](NC(=O)C2CC(=O)NC(=O)C2)C12CCC2 1078748574 BIETUWGFIIYJKC-QWRGUYRKSA-N 304.350 -0.420 30 20 DBED CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)C[C@H]2CCNC2=O)C1 1080415792 DLDNGRBCYHKAHN-WDEREUQCSA-N 306.366 -0.268 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)[C@H]2C[C@H]2C(N)=O)C1 1080564154 QGYFKDPEIOXJLQ-UHTWSYAYSA-N 321.377 -0.795 30 20 DBED CC#CCN1C[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)[C@H](C)C1 1080776747 SGOIZWPELADQSM-ZYHUDNBSSA-N 314.349 -0.509 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)c2cnon2)C[C@@H]1O 1081462944 HXFDMXKVCYNICY-JQWIXIFHSA-N 306.322 -0.722 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cnc2[nH]nnc2c1 1083107048 KBJRQWYJYKCKPX-QWHCGFSZSA-N 312.333 -0.489 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2ncnc3sccc23)C1 1083474731 XQTYKVJTHOSBSN-ZJUUUORDSA-N 303.347 -0.010 30 20 DBED CN(C[C@@H]1CCN1CC#N)C(=O)c1cn([C@H]2CCOC2)nn1 1085916159 SLCGMYBOYPMQFF-RYUDHWBXSA-N 304.354 -0.091 30 20 DBED CC#CCN1CC[C@@H]1CN(C)C(=O)c1nccnc1C(N)=O 1085963230 BJGKMYOUKFZMDO-LLVKDONJSA-N 301.350 -0.255 30 20 DBED C#CCN[C@H]1C[C@@H](CNC(=O)[C@@H]2CCc3nnc(O)n3C2)C1 1086124738 BSHKVUPAXYRRMV-UTUOFQBUSA-N 303.366 -0.336 30 20 DBED CC(=O)N1CCO[C@H](C(=O)N2C[C@H]3CCN(CC#N)C[C@H]3C2)C1 1088187275 OHXAYJVHJKUJPN-ILXRZTDVSA-N 320.393 -0.462 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2n[nH]c3c2CCCC3)[C@@H](O)C1 1090389434 WNJYGYVHNAMLQK-OLZOCXBDSA-N 303.366 -0.023 30 20 DBED C[C@@H](CC(N)=O)C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1C 1090804429 RNPGDMPRNXDONY-HOSYDEDBSA-N 316.365 -0.199 30 20 DBED C#CCOCCC(=O)N[C@H]1CCN(c2cc(C)ncn2)C[C@H]1O 1092164748 OLFAYKYUXHIBAV-UONOGXRCSA-N 318.377 -0.119 30 20 DBED C#CCN1C[C@@H]2CN(C(=O)Cn3nc(C)n(C)c3=O)C[C@]2(C)C1 1092242713 ZEGSNBBXPWXXFZ-CJNGLKHVSA-N 317.393 -0.696 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)c3[nH]nnc3C)c3nccn32)C1 1092385923 ZILFHNKUSFXLKR-LLVKDONJSA-N 311.349 -0.171 30 20 DBED Cc1nsc(N2C[C@@H](C)[C@H](CNC(=O)C(N)=O)C2)c1C#N 1092441875 GMJDHWKHMUSSHI-VXNVDRBHSA-N 307.379 -0.003 30 20 DBED CC[C@H](NC(C)=O)C(=O)N1CCN(c2ccc(C#N)nn2)CC1 1093196867 LQPJTSURDFICNV-ZDUSSCGKSA-N 316.365 -0.088 30 20 DBED CC(=O)NCC(=O)NC1[C@H]2CN(c3nccnc3C#N)C[C@H]12 1093215327 LLYGGWUNJHIIFO-UWVGGRQHSA-N 300.322 -0.965 30 20 DBED N#CCNC1CCC2(CC1)CN(C(=O)Cn1nccn1)CCO2 1093399780 QIZNNPFGXQSDHN-UHFFFAOYSA-N 318.381 -0.069 30 20 DBED C[C@H](CN1CCOCC1)C(=O)NCCNc1ccc(C#N)nn1 1093643792 YNNJANKCQDMPAS-GFCCVEGCSA-N 318.381 -0.155 30 20 DBED Cn1c(O)ncc(C(=O)NCCN=c2cc[nH]cc2C#N)c1=O 1094032640 PYRHURAYUWHIPG-UHFFFAOYSA-N 314.305 -0.984 30 20 DBED N#Cc1sc(NCCNC(=O)[C@@H]2CNC(=O)N2)nc1Cl 1094104151 BWUMUHSYPGDMEG-YFKPBYRVSA-N 314.758 -0.122 30 20 DBED CN1CC[C@H](CC(=O)N[C@H]2CC(=O)N(C3CN(CC#N)C3)C2)C1 1094809762 PNPHMLBHODTOHP-OLZOCXBDSA-N 319.409 -0.747 30 20 DBED CN1C[C@H](C(=O)NCCCN=c2cc[nH]c(C#N)n2)CC1=O 1094847389 RTVSSPANRRFDBI-SNVBAGLBSA-N 302.338 -0.833 30 20 DBED C[C@H](NC(N)=O)C(=O)NCCCN(C)c1cnc(C#N)cn1 1095534110 AGEYXVLVXRHABK-VIFPVBQESA-N 305.342 -0.652 30 20 DBED C[C@@H](CNC(=O)[C@H]1CN(C)C(=O)N1)Nc1ccc(C#N)nn1 1098213266 FBEBXOARTWEAAI-WCBMZHEXSA-N 303.326 -0.712 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC(N(CCO)CCCO)CC1 1098369598 UZHWFKIUXDUZTQ-CQSZACIVSA-N 312.410 -0.308 30 20 DBED Cc1cc(C#N)nc(NC[C@H]2CCN(C(=O)CNC(N)=O)C2)n1 1098501029 PRHWSQKYBZHYLM-SNVBAGLBSA-N 317.353 -0.415 30 20 DBED COCC#CCN1C[C@@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C(N)=O)C1 1099521422 RBTAWCRGXIGREF-FQUUOJAGSA-N 305.378 -0.710 30 20 DBED C[C@H](CCNC(=O)Cn1ncnn1)Nc1ccc(C#N)nc1 1099554293 ZWARBDDLOFGLMU-SNVBAGLBSA-N 300.326 -0.053 30 20 DBED COCC#CCN1CC[C@H](NC(=O)C2CCOCC2)[C@H](O)C1 1099609519 AYMOBDCGGLIMEL-LSDHHAIUSA-N 310.394 -0.386 30 20 DBED C[C@@H](CCNC(=O)[C@H]1CCNC1=O)N=c1cc[nH]cc1C#N 1099617297 SUFDEMVHPBSZDP-CMPLNLGQSA-N 301.350 -0.182 30 20 DBED CC(C)=C(F)C(=O)N[C@@H]1CCN(CC(=O)NCC#N)C[C@H]1O 1099766790 QHAUDGFVAHNHKH-GHMZBOCLSA-N 312.345 -0.559 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)c2[nH]ccc2C)[C@@H](O)C1 1099799761 RSOWBGSEVWBRMR-STQMWFEESA-N 320.393 -0.210 30 20 DBED C=C(C)CCC(=O)N[C@H]1CCN(Cc2nnnn2C)C[C@@H]1O 1099856354 VVKHCNOIFSKHKB-RYUDHWBXSA-N 308.386 -0.382 30 20 DBED N#CCN1CC[C@H](NC(=O)CCCn2ccccc2=O)[C@H](O)C1 1099944260 KYSOMLYIVLEXPD-UONOGXRCSA-N 318.377 -0.297 30 20 DBED C#CCN1CC[C@H](NC(=O)COCc2nc(CC)no2)[C@H](O)C1 1100072541 XDXCKDOUTHRYSE-NWDGAFQWSA-N 322.365 -0.667 30 20 DBED CC#CCN1CC[C@H](NC(=O)CCCCC(=O)NC)[C@@H](O)C1 1100133635 DFXLTOKZIYSKAR-KBPBESRZSA-N 309.410 -0.133 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)[C@H]1CCNC(=O)C1 1101548053 ARQJTVDPFMFGFN-JTQLQIEISA-N 302.338 -0.833 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)[C@H]1CCCNC1=O 1101815214 WWZVDGUCLBJGIR-JTQLQIEISA-N 302.338 -0.833 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)[C@@H](C)OCC#C)C1 1101964737 XCWHFBXWJPJSIL-RBSFLKMASA-N 319.405 -0.542 30 20 DBED CCN(C(=O)CNC(N)=O)[C@H]1CCN(c2ccc(C#N)nn2)C1 1102779494 FGRJPINCIHOIFO-NSHDSACASA-N 317.353 -0.556 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)c1ccc(O)nn1 1104477138 DBVQHMRUGJIYHM-VIFPVBQESA-N 313.321 -0.162 30 20 DBED C#CCNCC[C@@H]1CN(C(=O)CCCS(N)(=O)=O)C[C@H]1C 1104609007 VIDMFHSVOPRTOH-CHWSQXEVSA-N 315.439 -0.238 30 20 DBED CN(CCN(C)c1ccnc(C#N)n1)C(=O)CCNC(N)=O 1105401083 XTAAVNAIZYPOGL-UHFFFAOYSA-N 305.342 -0.699 30 20 DBED CN(CCN(C)c1cncc(C#N)n1)C(=O)C1(C(N)=O)CC1 1105543309 VPAYHHXLZHBABR-UHFFFAOYSA-N 302.338 -0.492 30 20 DBED CCNC(=O)CCC(=O)NC[C@@H](O)CNc1nccnc1C#N 1105746942 RZXWNDBKGXWOSB-SNVBAGLBSA-N 320.353 -0.846 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](O)CNC(=O)Cc2ccon2)n1 1105761750 BPKQDSSVBRMHTD-LBPRGKRZSA-N 316.321 -0.224 30 20 DBED Cn1ccc(C(=O)NC[C@@H](O)CNc2cnc(C#N)cn2)n1 1105856027 MKBQSAMSTWYXNF-JTQLQIEISA-N 301.310 -0.715 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)C[C@H](C)NC(N)=O)C[C@H]1C 1106126024 JPVKLNVARHOWHS-HZSPNIEDSA-N 324.425 -0.233 30 20 DBED C=CCn1cc(C(=O)NC[C@H](O)CNc2ncc(F)cn2)nn1 1106131905 MWVGHMJMMTWIRT-JTQLQIEISA-N 321.316 -0.404 30 20 DBED C#CCNC[C@@H]1CN(C(=O)CCC(=O)N2CCOCC2)C[C@H]1C 1106955555 GYROGVSKKBYVRX-HUUCEWRRSA-N 321.421 -0.057 30 20 DBED CN1CCOC[C@H]1C(=O)NC/C=C/CN=c1cc[nH]c(C#N)n1 1107162797 UXUNWHCSZNUQAB-JDGPPOGSSA-N 316.365 -0.815 30 20 DBED C=CCN1CCO[C@](C)(CNC(=O)CCS(=O)(=O)NC)C1 1107941460 GIBLIFVOJZUYLS-CYBMUJFWSA-N 319.427 -0.681 30 20 DBED C[C@@]1(CNC(=O)CN2CCCCC2=O)CN(CC#N)CCO1 1108047359 BZIQXZYCFYVDLB-OAHLLOKOSA-N 308.382 -0.270 30 20 DBED C=CCN1CCO[C@](C)(CNC(=O)[C@H]2CCS(=O)(=O)C2)C1 1108058113 SQLVERLWPKCIEA-GXTWGEPZSA-N 316.423 -0.186 30 20 DBED C=CCCC(=O)N[C@@H]1CC(=O)N(C2CN(CC(=O)N(C)C)C2)C1 1108519529 FLKQWFJBRMTJBM-GFCCVEGCSA-N 322.409 -0.558 30 20 DBED C[C@@H](CNc1ncc(C#N)cc1F)NC(=O)Cn1ncnn1 1108540364 TVBGFQJDNWEEQV-QMMMGPOBSA-N 304.289 -0.304 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)[C@H](OC)C(C)C)CC2=O)C1 1108569861 QOEMRSIDQDYOIO-SWLSCSKDSA-N 307.394 -0.308 30 20 DBED CCc1nc(C#N)cc(N(C)C[C@H](C)NC(=O)CC(=O)NC)n1 1108949908 LUGGPGWVDIFLQO-JTQLQIEISA-N 318.381 -0.012 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cn(C)nn1 1109229409 RXZUOFSRUAEWHA-DYEKYZERSA-N 303.366 -0.200 30 20 DBED C[C@@H](CN(C)c1ccnc(C#N)n1)NC(=O)CC(=O)N(C)C 1109263205 CQKHPAPZYLUEOC-JTQLQIEISA-N 304.354 -0.233 30 20 DBED C=CCOCC(=O)NCC1(N=c2cc[nH]c(C(=O)OC)n2)CC1 1110079097 PWCJQVYQQJPOLP-UHFFFAOYSA-N 320.349 -0.052 30 20 DBED CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H](C)C#N 1110395026 UFJAAYFCAQBZOC-KKOKHZNYSA-N 321.381 -0.287 30 20 DBED N#Cc1ccc(N2CC[C@](O)(CNC(=O)c3cnon3)C2)nn1 1111091009 HSRZUIIFHFETER-ZDUSSCGKSA-N 315.293 -0.898 30 20 DBED N#Cc1nc(=NCCN(CCO)C(=O)/C=C/C2CC2)cc[nH]1 1111448087 TVDGMGOQWMPXMQ-ONEGZZNKSA-N 301.350 -0.031 30 20 DBED N#Cc1cncc(NCCN(CCO)C(=O)Cc2cnc[nH]2)n1 1111569654 GXEHWMDCZTZDQV-UHFFFAOYSA-N 315.337 -0.453 30 20 DBED COCC(=O)NC[C@@H]1CN(c2cc(C)ncc2C#N)C[C@@H]1O 1112692767 RMBKHEXCZGCXQR-OCCSQVGLSA-N 304.350 -0.179 30 20 DBED CC(C)OCC(=O)NC[C@H]1CN(c2ccnc(C#N)n2)C[C@H]1O 1112710616 ZGZVJJLILAOLQW-NWDGAFQWSA-N 319.365 -0.313 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C[C@@H](C)CS(C)(=O)=O)CC1 1112710970 MVZKBZYPCGYBMF-NEPJUHHUSA-N 301.412 -0.029 30 20 DBED CC#CCCCC(=O)N1CCN(CCNS(C)(=O)=O)CC1 1113232353 NCOHOWDABFUUMG-UHFFFAOYSA-N 315.439 -0.127 30 20 DBED C[C@@H](CNC(=O)c1cnn(C)c1N)N(C)c1ccnc(C#N)n1 1113573160 DOYLJBSGZNDUMV-VIFPVBQESA-N 314.353 -0.081 30 20 DBED Cc1nnsc1C(=O)NC1[C@H]2CN(CC(=O)NCC#N)C[C@H]12 1113838946 KOUTVRUCWFWXPH-IUCAKERBSA-N 320.378 -0.854 30 20 DBED COCC(C)(C)CC(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1114611153 QNGOZJQBWYFXQI-JYAVWHMHSA-N 322.409 -0.265 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)C[C@H]3CCC(=O)N3)[C@H]2C1 1114960018 OQNLBPWDRLZEGJ-FOCJUVANSA-N 305.378 -0.649 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3nocc3C)[C@H]2C1 1115074650 QALKWIVFPBBKAV-QWRGUYRKSA-N 302.334 -0.608 30 20 DBED C#CCNC(=O)C1CCN(C(=O)C(=O)NCc2ccon2)CC1 1117385005 DBNAHMJZSLPISI-UHFFFAOYSA-N 318.333 -0.721 30 20 DBED C[C@@H](CN(C)C(=O)C1CS(=O)(=O)C1)N=c1cc[nH]c(C#N)n1 1120122317 CYMMWRHTYOVOKL-VIFPVBQESA-N 323.378 -0.926 30 20 DBED C[C@H](CN(C)C(=O)C1(C(N)=O)CC1)Nc1cncc(C#N)n1 1120554009 DJJLEUQOSRXGKV-SECBINFHSA-N 302.338 -0.127 30 20 DBED CC[C@H](NC(C)=O)C(=O)N(C)C[C@H](C)N=c1cc[nH]c(C#N)n1 1120685561 LCWDYAKRUNPFHN-JQWIXIFHSA-N 318.381 -0.056 30 20 DBED Cc1cc(C(=O)NC[C@@H](CO)N=c2cc[nH]cc2C#N)n[nH]1 1121119223 AMHNWQFCPVYNCA-NSHDSACASA-N 300.322 -0.391 30 20 DBED Cc1nc2ncnn2c(N[C@@H](CO)CNC(=O)[C@@H](C)C#N)c1C 1121213920 VLKNZVJEWLZUJF-GZMMTYOYSA-N 317.353 -0.210 30 20 DBED Cn1cnc(C(=O)NC[C@@H](CO)Nc2ncccc2C#N)c1 1121295805 NAJMOFBMQNJRJH-NSHDSACASA-N 300.322 -0.110 30 20 DBED N#Cc1cccnc1N[C@H](CO)CNC(=O)CCn1ccnn1 1121366943 ZZVMPQUPZTVKBX-LBPRGKRZSA-N 315.337 -0.476 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)CN2CCCC2)cn1 1121580344 JJOLTRDNZWVNSK-CQSZACIVSA-N 303.366 -0.062 30 20 DBED C=CCn1c(CCO)nnc1N1C[C@H]2CN(C(C)=O)C[C@H]2C1 1121619935 HENMSKIUZIUDEN-BETUJISGSA-N 305.382 -0.087 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)C[C@@H]2CCC(=O)N2)nc1 1121771541 UVFFGYMIZBAZLG-RYUDHWBXSA-N 317.349 -0.489 30 20 DBED C=CC(C)(C)C(=O)NC[C@@H](CO)Nc1ccc2nnnn2n1 1122309889 CVHFMTLMZWPRAH-VIFPVBQESA-N 305.342 -0.380 30 20 DBED CCNC(=O)CC(=O)N(C)C[C@@H](O)CNc1nccnc1C#N 1124314441 CKOYQXASIGHSJV-JTQLQIEISA-N 320.353 -0.894 30 20 DBED CNS(=O)(=O)c1ccc(CNCCNC(=O)[C@@H](C)C#N)cc1 1124903552 RIEHFPQHNAFYKP-NSHDSACASA-N 324.406 -0.040 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1cn(C(C)(C)C)nn1 1128959367 AOHKYZGVXLDXDC-NSHDSACASA-N 320.397 -0.510 30 20 DBED CN(CC(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1)C1CCC1 1129053526 ZYFRHWKDLVMNSV-KGLIPLIRSA-N 317.397 -0.373 30 20 DBED COCC#CCNCCNC(=O)CCc1c(C)ncnc1O 1130766403 GPMFFWVGYQEAKN-UHFFFAOYSA-N 306.366 -0.221 30 20 DBED CC#CCN1C[C@H]2C[C@H]3CN(C(=O)CC(=O)NC)C[C@@]3(C1)O2 1131226888 AJLAKLVXMITFET-WOSRLPQWSA-N 305.378 -0.553 30 20 DBED CN1C[C@@H](C(=O)NCCNCc2ccc(C#N)c(F)c2)NC1=O 1132382848 SWJGZEHTOXUBJV-ZDUSSCGKSA-N 319.340 -0.073 30 20 DBED C#CCNC[C@H]1CN(C(=O)CCNC(=O)COC)CC[C@@H]1C 1132875162 UIWXRTKHUNAMHY-KBPBESRZSA-N 309.410 -0.154 30 20 DBED C[C@H]1CCN(C(=O)COCc2nncn2C)C[C@H]1CNCC#N 1133212282 AWXDRGOZBCLGOF-QWHCGFSZSA-N 320.397 -0.071 30 20 DBED C[C@H]1CCN(C(=O)COCc2ncnn2C)C[C@@H]1CNCC#N 1133213320 LHENBRFLOKBASQ-STQMWFEESA-N 320.397 -0.071 30 20 DBED C=C1CCC(C(=O)NCCNCCNS(C)(=O)=O)CC1 1133365646 ZXIONURDMGNDCX-UHFFFAOYSA-N 303.428 -0.012 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)c1nnn(CC)c1CC 1133762482 APHYSLQGAVDOTF-LLVKDONJSA-N 322.413 -0.130 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)c1nccnc1N 1133954438 QJKMJSZYIMPVIM-QWRGUYRKSA-N 318.381 -0.705 30 20 DBED C[C@@H](C[C@@H](C)NCC(=O)NCC#N)NC(=O)CCn1ccnn1 1134193834 PMXUZNLRSSNJGR-NEPJUHHUSA-N 321.385 -0.819 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)C1(CN(C)C)CC1 1135299089 UEQRBHIWWOSDQA-UONOGXRCSA-N 322.453 -0.050 30 20 DBED C[C@@H]1CCC[C@@H](C)N1C(=O)C(=O)NCCNCC(=O)NCC#N 1135914226 ZBZOQYSKLCLQRN-VXGBXAGGSA-N 323.397 -0.879 30 20 DBED C[C@H](C[C@@H](C)NC(=O)CN1CCCC1)NCC(=O)NCC#N 1146336300 ATKJSDBJZFVJQJ-CHWSQXEVSA-N 309.414 -0.405 30 20 DBED COCC#CCN[C@@H](C)C[C@@H](C)NC(=O)c1cn(C)c(=O)n1C 1146673309 XPIGYIAWQFGMNQ-QWHCGFSZSA-N 322.409 -0.140 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H]1CN(Cc2cnon2)CCCO1 1149707719 LCVLTBPRIXRJMJ-TZMCWYRMSA-N 322.365 -0.185 30 20 DBED N#CCN1CCCO[C@H](CNC(=O)C(=O)NCC(F)(F)F)C1 1150515770 DBQKBKMOGKWLIK-SECBINFHSA-N 322.287 -0.604 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)[C@H]1CCCNC1=O 1153914456 MWIJKUJYYCYXII-OLZOCXBDSA-N 322.409 -0.911 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)c1c(C)nnn1CC 1159777265 IALVIZGNEJDVMR-LBPRGKRZSA-N 320.397 -0.546 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@H](C)c1cncnc1 1164515004 ZTVBUUHXUQTMHS-GFCCVEGCSA-N 303.366 -0.575 30 20 DBED C=CCNC(=O)CNCC1(CCNC(=O)C(C)(C)C(N)=O)CC1 1165622627 HKWRNJSWWQSNIM-UHFFFAOYSA-N 324.425 -0.324 30 20 DBED C=CCn1cc(C(=O)NCCCNCc2n[nH]c(C)n2)nn1 1167838302 DEUTVPIBKXFLAH-UHFFFAOYSA-N 304.358 -0.200 30 20 DBED C#CCNC(=O)CNC[C@]1(C)CN(C(=O)[C@H](C)OC)C[C@H]1C 1180764735 JPDSEHORKSWRMC-DVOMOZLQSA-N 309.410 -0.155 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2cnn(C)c2)C1 1180913867 NISURQFYMGWWBL-DGCLKSJQSA-N 303.366 -0.638 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@@H](NCc2nc(COC)no2)C1 1182505043 OXILWIUEXFBLSU-VXGBXAGGSA-N 322.365 -0.055 30 20 DBED C[C@H](C(=O)N1CC[C@@H](NCC(=O)NCC#N)C1)c1ccnn1C 1182670013 FRNBCWAAWKRUEB-NWDGAFQWSA-N 318.381 -0.646 30 20 DBED C=CCOCC(=O)N1CC[C@@H](CNCC(=O)NCC#N)[C@H](C)C1 1184089167 OCQVIGJGEUVMKZ-KGLIPLIRSA-N 322.409 -0.097 30 20 DBED CC(=O)CCCC(=O)N1CC[C@@H](N(C)CC(=O)NCC#N)C1 1188878214 MGTHOARQRIVVOP-CYBMUJFWSA-N 308.382 -0.082 30 20 DBED CC(=O)NCCOCCN(C)[C@@H]1CCN(C(=O)[C@@H](C)C#N)C1 1189400503 LKQHOPSIFACRNV-GXTWGEPZSA-N 310.398 -0.169 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)[C@@]23COC[C@@H]2C3)C1 1190261137 ZKFIDLBNLWUTHC-ZENOOKHLSA-N 305.378 -0.695 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C[C@@H](C)SC)C1 1192312633 ANLSPCCMPDJGOJ-IJLUTSLNSA-N 313.423 -0.961 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)c2cnn(C)c2CC)C1 1194386681 XPRMYFOMOLXUCQ-UKRRQHHQSA-N 322.409 -0.040 30 20 DBED COCC#CCN1CCCN(C(=O)CCc2nc[nH]n2)CC1 1195452557 OWXCIVVVFGUZHY-UHFFFAOYSA-N 305.382 -0.079 30 20 DBED C=C[C@@H](CC)CC(=O)N[C@@H]1CN(Cc2nnnn2C)C[C@H]1O 1195554690 NFVNGWNSSSFGQE-QJPTWQEYSA-N 308.386 -0.526 30 20 DBED C=CCCCC(=O)N[C@@H]1CN(C[C@@H](O)Cn2cccn2)C[C@H]1O 1195725852 QHUONSQFCIRBEN-RBSFLKMASA-N 322.409 -0.238 30 20 DBED C#CCNC[C@H]1CN(C(=O)c2cncc(C(N)=O)c2)CCCO1 1202080505 VDDQEWJGOTYJND-AWEZNQCLSA-N 316.361 -0.366 30 20 DBED COC[C@H](C)C(=O)N1CCC(CNCC(=O)NCC#N)CC1 1204748626 PQBIWJZDHGYCMX-LBPRGKRZSA-N 310.398 -0.263 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)CCn2cncn2)[C@H](C)C1 1206046272 HTKRNHYFGXZONN-CHWSQXEVSA-N 320.397 -0.593 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN([C@H](C)C(=O)N(C)C)C[C@H]1C 1206957509 BNIUVMOEUSIWRQ-MGPQQGTHSA-N 309.410 -0.061 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)[C@H](CC)NC(C)=O)[C@H](C)C1 1208818714 ZLAYTMLYWUHOPT-KWCYVHTRSA-N 322.409 -0.913 30 20 DBED C=C(C)CN1C[C@@H](NC(=O)[C@H](CCC(N)=O)NC(C)=O)[C@H](C)C1 1209513629 BJCWIBRJOIFQOL-KWCYVHTRSA-N 324.425 -0.231 30 20 DBED C=CCOCCN1C[C@@H](NC(=O)Cc2n[nH]c(C)n2)[C@H](OC)C1 1212239540 HMSORRUKFKAQAF-CHWSQXEVSA-N 323.397 -0.326 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)Cc2cnoc2)[C@H](OC)C1 1213323701 KLDKPUMRDHWVQR-CHWSQXEVSA-N 322.365 -0.665 30 20 DBED C=CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H](C)NS(C)(=O)=O 1218696702 HGFKOBFWLNTXAR-GRYCIOLGSA-N 317.411 -0.978 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CS(=O)(=O)CC 1219054083 WWWLIDIVJZCUJL-QWHCGFSZSA-N 314.407 -0.644 30 20 DBED N#CCSCC(=O)N[C@@H]1CN(CCOC2CCC2)C[C@@H]1O 1219216652 SBMMWSWKUDOXEJ-OLZOCXBDSA-N 313.423 -0.026 30 20 DBED C=CCCCCCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 1220236829 GWPZIMASEGIUIO-XQQFMLRXSA-N 310.398 -0.425 30 20 DBED C[C@H](CC(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@@H]1O)C1CC1 1221107326 FJVMIQPMBRGFTB-RTXFEEFZSA-N 308.382 -0.776 30 20 DBED C#CCO[C@H](C)C(=O)NCC1CCN([C@H]2CCNC2=O)CC1 1223183480 ZUQDXLRUNDGPLS-OCCSQVGLSA-N 307.394 -0.259 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cnn(CC)c1 1320013160 HQTJBNGLUHOXPV-UHFFFAOYSA-N 314.367 -0.442 30 20 DBED COCCN1CC(=O)N(CCN/C(O)=C2/N=CC=CC2=O)C1=O 1321951141 VKPCTLNEXUSSCV-SEYXRHQNSA-N 322.321 -0.577 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)NCCOc2cccnc2)CCO1 1322047221 RIKKEVUUJCVWHL-LBPRGKRZSA-N 304.306 -0.672 30 20 DBED C=C(C)COCCNC(=O)C(=O)N1CCO[C@@H](C(=O)OC)C1 1323890846 IZTURAIMPKSEAH-LLVKDONJSA-N 314.338 -0.904 30 20 DBED Cc1nnc(O)c(CNC(=O)C(=O)N2CC[C@@](F)(C#N)C2)c1C 1324478198 OSRBCWJACIWWNJ-CQSZACIVSA-N 321.312 -0.121 30 20 DBED CCN1C[C@H](C)N(C(=O)C(=O)N2CCO[C@@H](C#N)C2)C[C@H]1C 1325776132 LMZIFQGOCCKPHW-AGIUHOORSA-N 308.382 -0.322 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCc2nc(C)no2)C1=O 1325784695 MHLWXSWBINFLOF-SNVBAGLBSA-N 321.337 -0.760 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2CCC[C@@]23NC(=O)NC3=O)nn1 1326344604 WBJRIRTXJPPPRL-YMTOWFKASA-N 318.337 -0.428 30 20 DBED C#CC1CCN(C(=O)C(=O)Nc2cnn(CC(N)=O)c2)CC1 1328237534 ZCXDNBFVNHUDRK-UHFFFAOYSA-N 303.322 -0.821 30 20 DBED C#Cc1cccc(CNC(=O)C(=O)NC[C@H](C)S(C)(=O)=O)c1 1328497813 ANRJQOKOVPGPDC-NSHDSACASA-N 322.386 -0.167 30 20 DBED C=CCCOCCNC(=O)C(=O)N1CCC[C@@H](C(=O)NC)C1 1329479001 JMTMLGWOBCXEJR-GFCCVEGCSA-N 311.382 -0.320 30 20 DBED C=C(C)COCCNC(=O)C(=O)NCCN1CCOC[C@@H]1C 1329685913 LXRFLYHIIHCPNA-ZDUSSCGKSA-N 313.398 -0.468 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)N2CCC(N)CC2)CCN1C1CC1 1330568546 WFQXOZWHSYUMII-ZDUSSCGKSA-N 305.382 -0.865 30 20 DBED C=CCN1CC(=O)N(C2CCN(S(C)(=O)=O)CC2)C1=O 1340012860 VLEHVTMYTDRVPI-UHFFFAOYSA-N 301.368 -0.139 30 20 DBED C#CCSCCNC(=O)C(=O)N1CC[C@@H](S(C)(=O)=O)C1 1342541561 SVKBHDKRDVRPIT-SNVBAGLBSA-N 318.420 -0.886 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N1CCC[C@H](C(=O)NC)C1 1347037168 GFSPFOKKWKLSMJ-ZDUSSCGKSA-N 323.393 -0.531 30 20 DBED COC(=O)[C@@H]1CCN(C(=O)C(=O)N2CCO[C@H](C#N)C2)C[C@@H]1C 1350205115 NAJRHQLWCOBBEN-QJPTWQEYSA-N 323.349 -0.605 30 20 DBED C#CCCS(=O)(=O)N1CCCN(C(=O)CNC(C)=O)CC1 1351406648 DCAOUUVOKKDLSB-UHFFFAOYSA-N 315.395 -0.990 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)N2[C@H]3CC[C@H]2CNC3)CCN1C1CC1 1351853832 FXJDNUZXMNCRED-IHRRRGAJSA-N 317.393 -0.852 30 20 DBED CN1CC[C@@]2(CCN(C(=O)Cn3cc(C#N)c(O)nc3=O)C2)C1 1363109239 OPWNPZYGBXFYOD-OAHLLOKOSA-N 317.349 -0.625 30 20 DBED N#Cc1c(F)cccc1C(=O)N1C[C@@H](C(N)=O)[C@@H](C(N)=O)C1 1363141811 JIONTSGXZAXWRD-AOOOYVTPSA-N 304.281 -0.644 30 20 DBED CS(=O)(=O)CCS(=O)(=O)NCc1ccnc(C#N)c1 1364061607 AUBNJNJRDMVKNG-UHFFFAOYSA-N 303.365 -0.583 30 20 DBED COCC[C@@H](NC(=O)Nc1cnc(OC)c(C#N)c1)C(N)=O 1365275715 HKIPIPAXCSEZHW-SNVBAGLBSA-N 307.310 -0.026 30 20 DBED N#Cc1ccc(S(=O)(=O)N2CC[C@H](CS(N)(=O)=O)C2)o1 1365744021 JEYGVICCUMKGFR-QMMMGPOBSA-N 319.364 -0.550 30 20 DBED C=C(Cl)CNC[C@H]1CN(C(=O)CCn2cnnn2)CCO1 1368514272 UFFPIVKJHLQBRW-NSHDSACASA-N 314.777 -0.367 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1C)NC(=O)c1cc(C#N)c[nH]1 1373034808 TUDCDLYAJGZDKA-CABZTGNLSA-N 317.349 -0.258 30 20 DBED CCN(CCC#N)C(=O)CN(C)CCNC(=O)c1cn(C)cn1 1390751910 MAGZCZZBBSLHFH-UHFFFAOYSA-N 320.397 -0.156 30 20 DBED CNC(=O)NCCC(=O)N1C[C@H]2CCN(C(=O)[C@@H](C)C#N)C[C@H]21 1396442229 OBRAINZOSZQPHK-QJPTWQEYSA-N 321.381 -0.476 30 20 DBED COCCn1nccc1C(=O)N1CC(CNC(=O)[C@@H](C)C#N)C1 1398814772 NXZCWBCZDAVACG-NSHDSACASA-N 319.365 -0.123 30 20 DBED C[C@H](NCC1(O)CCN(C(=O)c2cc(C#N)c[nH]2)CC1)C(N)=O 1402804261 DJMVAKHBSWGJRL-JTQLQIEISA-N 319.365 -0.683 30 20 DBED C[C@H](C#N)C(=O)NC1CN(CC(=O)N(C)Cc2cnn(C)c2)C1 1404751568 VOYVFGGTPQXABI-LLVKDONJSA-N 318.381 -0.661 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](C)NC(=O)c1ccc(C(N)=O)cn1 1408307211 KTBSGVPECVYLJN-DTWKUNHWSA-N 303.322 -0.425 30 20 DBED C[C@H](O)[C@H](NC(=O)C1CCCC1)C(=O)N1CCO[C@@H](C#N)C1 1411751741 FISIDZCZFNICNB-DRZSPHRISA-N 309.366 -0.207 30 20 DBED N#Cc1cn(CCNC(=O)CCc2ccon2)c(=O)nc1O 1413311963 ZEDAXLXZYDJUOA-UHFFFAOYSA-N 303.278 -0.442 30 20 DBED C[C@@H](C(=O)NCCn1cc(C#N)c(O)nc1=O)n1cccn1 1418528712 FOLZQKMTBVKMNT-VIFPVBQESA-N 302.294 -0.606 30 20 DBED CC(C)(C#N)CS(=O)(=O)NC1CC(NS(C)(=O)=O)C1 1423986113 WZOVNTPGXNJMBH-UHFFFAOYSA-N 309.413 -0.464 30 20 DBED CN(C[C@H](O)CNC(=O)c1c[nH]c(C#N)c1)C(=O)c1cc[nH]n1 1428180305 XYTHEWJESLNTDU-LLVKDONJSA-N 316.321 -0.528 30 20 DBED COCCN(CCNC(=O)[C@@H](C)C#N)C(=O)c1cncn1C 1428421875 HAXIVDWBHGTZMF-NSHDSACASA-N 307.354 -0.215 30 20 DBED C[C@H](C#N)C(=O)NC1CCN(C(=O)c2ccc(C(N)=O)[nH]2)CC1 1429692445 YUMKJCQDUMAQTF-SECBINFHSA-N 317.349 -0.006 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CNC(=O)[C@H](C)NC(N)=O)CC1 1429729002 VKFWQPUPCSCGBR-UWVGGRQHSA-N 309.370 -0.442 30 20 DBED CCCN(CCNC(=O)[C@@H](C)C#N)C(=O)CN1CCOCC1=O 1429844611 KUWWXIDPQZFVND-LBPRGKRZSA-N 324.381 -0.640 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1n[nH]c2ccccc12 1433341719 WZEGVDMVPWVNRR-ZJUUUORDSA-N 315.333 -0.071 30 20 DBED N#Cc1cn(CCC(=O)N2CC([C@H]3CCOC3)C2)c(=O)nc1O 1433969056 PDCSRRMIOYHUJO-JTQLQIEISA-N 318.333 -0.294 30 20 DBED CN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CCN(CC(=O)NC(N)=O)C1 1438221808 OJIISDHXKBOSRO-SNVBAGLBSA-N 318.337 -0.772 30 20 DBED C[C@@H](O)C[C@H]1CCCCN1C(=O)Cn1cc(C#N)c(O)nc1=O 1467730071 JGIYQQZDMMOMIS-ZYHUDNBSSA-N 320.349 -0.027 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)CCc2cnc[nH]2)C1 1489592167 KJVRRLQJHRGTSB-WCQGTBRESA-N 305.338 -0.810 30 20 DBED CN(CCNC(=O)C1=COCCO1)C(=O)c1cc(C#N)c[nH]1 1495824908 YYRZPVVSHQWOLT-UHFFFAOYSA-N 304.306 -0.037 30 20 DBED Cc1nc(C)c(CC(=O)N2CC(NC(=O)[C@H](C)C#N)C2)c(O)n1 1530618813 VSHVFNKPRHZZQL-MRVPVSSYSA-N 317.349 -0.172 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](C)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 1573584704 CCMJPPZIMFSAKT-JGVFFNPUSA-N 316.325 -0.411 30 20 DBED C=C(C)C[C@@H](NC(=O)[C@]1(F)CNCC12COC2)C(=O)OC 1574830699 JTHXLNBWRFHTKE-QMTHXVAHSA-N 300.330 -0.062 30 20 DBED C[C@H](CNC(=O)[C@@H](C)C#N)CNc1cncc(-c2nn[nH]n2)n1 1574835455 HFKWLLSOYQZBPF-IUCAKERBSA-N 315.341 -0.019 30 20 DBED C[C@@H]1[C@@H](C)[S@@](=O)CCN1c1cnc(C#N)c(-c2nn[nH]n2)n1 1575871042 XYYDUAKKTDKFMD-PVJNZWLOSA-N 318.366 -0.126 30 20 DBED C=CCNC(=O)CN1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3C(=O)O)C[C@H]2C1 1588844076 ARSVWDUJAOQDNT-YVECIDJPSA-N 321.377 -0.601 30 20 DBED CC#CCN(C)C(=O)C(=O)N1C[C@@H]2C[C@@H](N)C[C@]2(C(=O)O)C1 1588931373 SPDPAIJKAVPTDK-RWSFTLGLSA-N 307.350 -0.881 30 20 DBED Cc1ccc(-c2nn[nH]n2)cc1C(=O)N[C@H]1CCN(O)C1=O 1592096946 GBYDMBVVRXUXRF-JTQLQIEISA-N 302.294 -0.105 30 20 DBED COC[C@@]1(C(=O)O)CCN(C(=O)C(=O)N2CCC[C@@H](C#N)C2)C1 1593958695 IJQOQBNQEKTAST-XHDPSFHLSA-N 323.349 -0.302 30 20 DBED N#CCN(CC(=O)O)C(=O)c1cccc(CS(N)(=O)=O)c1 1601071516 QBRCJKFEEGURGU-UHFFFAOYSA-N 311.319 -0.475 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CN(c2ccnc(C(=O)O)n2)CCO1 1603129174 BELPUKUQVYGLCF-ZJUUUORDSA-N 319.321 -0.344 30 20 DBED N#C[C@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NOCCO 1606336816 ADCXELDYUWZBKV-NSHDSACASA-N 302.294 -0.411 30 20 DBED N#Cc1c[nH]c(C(=O)NCC2CN(C(=O)[C@H]3C[C@H]3C(=O)O)C2)c1 1608195026 CCLTZPBUKNCWRU-WDEREUQCSA-N 316.317 -0.205 30 20 DBED C=CCNC(=O)CNC[C@H]1CCCN1C(=O)[C@H]1CCC(=O)NC1 1732327641 SDUPVJBHPHZDEL-QWHCGFSZSA-N 322.409 -0.605 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)CCCNC(=O)c1[nH]c(O)nc1C 1751999941 SJUSYIAVAUWKAC-LLVKDONJSA-N 321.381 -0.387 30 20 DBED C#CCN[C@H](CNC(=O)[C@H]1CCc2nnnn2CC1)C1CC1 1752484232 GQFAUJBCLCAPML-QWHCGFSZSA-N 302.382 -0.257 30 20 DBED CC#CCN(CC)CCNC(=O)CCS(=O)(=O)N(C)C 1753095513 ZVIXKNPQCPPTEH-UHFFFAOYSA-N 303.428 -0.271 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)CCN(C)[C@H]1CCCNC1=O 1753854961 GNENVKLYLOIZQD-GJZGRUSLSA-N 320.437 -0.247 30 20 DBED C#CCNC[C@@H]1CCC[C@H]1NC(=O)CCCN1C(=O)CNC1=O 1753902067 OJCGKTJAGSYMIS-QWHCGFSZSA-N 320.393 -0.174 30 20 DBED C#CCCNC[C@H](O)CNC(=O)c1csc(-c2nc[nH]n2)n1 1753931368 SIGQSMGDPVYYBU-VIFPVBQESA-N 320.378 -0.368 30 20 DBED C#CCNCCN(CC)C(=O)c1cn(CC(=O)N(C)C)nn1 1754085248 WUTHTKCBVVKFSZ-UHFFFAOYSA-N 306.370 -0.949 30 20 DBED C#CCNC(=O)CNC[C@@H](NC(=O)[C@@H]1CCCN1C)C1CC1 1754435660 LCHGCQOKJLZGJQ-KGLIPLIRSA-N 306.410 -0.686 30 20 DBED C#CCNC[C@H](NC(=O)Cc1ccc(C(N)=O)nc1)C1CC1 1754446045 YZMUWJAXMGRDKD-AWEZNQCLSA-N 300.362 -0.159 30 20 DBED C=CCn1cc(C(=O)N[C@@H](C)[C@H](C)NCC(=O)NC2CC2)nn1 1755255038 CDRJZMTXCIFHNG-QWRGUYRKSA-N 320.397 -0.161 30 20 DBED CC1CC(C(=O)NC2(CCO)CN(CC(=O)NCC#N)C2)C1 1755331951 MHJKMUKTYMLKGB-UHFFFAOYSA-N 308.382 -0.775 30 20 DBED CCc1nc(C(=O)N[C@H]2C[C@H](CNCC(=O)NCC#N)C2)co1 1755469287 KFAPHGIAEUJDNU-XYPYZODXSA-N 319.365 -0.025 30 20 DBED N#Cc1ccc(CN[C@@H](CO)CNC(=O)[C@@H]2CCNC2=O)s1 1755634440 MENFXFHQKOLTRA-BXKDBHETSA-N 322.390 -0.677 30 20 DBED C=CCC1(C(=O)NC[C@@H](CO)NC[C@H](C)O)CCOCC1 1755645858 WTRSLBWDJNWBAJ-STQMWFEESA-N 300.399 -0.193 30 20 DBED CC(C)(C(N)=O)C(=O)N[C@H]1CC[C@H](CNCC(=O)NCC#N)C1 1755736573 XYIYLUQQHOQZDH-QWRGUYRKSA-N 323.397 -0.988 30 20 DBED COCCN(CC#N)CCNC(=O)c1cnn2c1OCCC2 1755838928 CUECEICIALSBRR-UHFFFAOYSA-N 307.354 -0.133 30 20 DBED C#CCOCCC(=O)N[C@H](CO)CNC(=O)[C@]1(C)CCOC1 1756545584 QJYVHHQILRIBJL-SWLSCSKDSA-N 312.366 -0.954 30 20 DBED C#CCOCCC(=O)N[C@@H]1C[C@H](C)N(C(=O)CCNC(N)=O)C1 1756590154 NPIXIISGQMYPGD-NWDGAFQWSA-N 324.381 -0.810 30 20 DBED C#CCOCCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2occc2C)C1 1756976744 DLZZNQZFMNVBKB-CHWSQXEVSA-N 320.345 -0.071 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCC[C@](O)(C(=O)O)C1 1776857414 GQMRQVZTFOMNRZ-CMPLNLGQSA-N 319.383 -0.376 30 20 DBED C[C@H](S)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN)C2 1782181344 GFAXOANNZMSGIL-MISXGVKJSA-N 315.439 -0.223 30 20 DBED N#CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(N)=O)[C@H]2C1 1790849699 CFURIBJOBMITBB-SRVKXCTJSA-N 322.365 -0.855 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCCOC1 1802075554 WMJDARMNGJXGPC-XPCVCDNBSA-N 306.362 -0.364 30 20 DBED C#CCCC(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834767672 OVMWOAORWGEYFN-INIZCTEOSA-N 319.361 -0.230 30 20 DBED CC(=O)C(C)(C)C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1841513150 BWZXXFOHZVSZPW-UHFFFAOYSA-N 320.345 -0.107 30 20 DBED C#CCCCC(=O)N1CC2(CCCN2C(=O)Cn2cnnn2)C1 1843085141 JSRYLPRUCGDYKP-UHFFFAOYSA-N 316.365 -0.320 30 20 DBED CCCCCNC(=O)[C@H](C#N)C(=O)Cn1ccc(=O)n(C)c1=O 49253140 HRDWGQLQTJCPHR-LLVKDONJSA-N 320.349 -0.438 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1CCN(C[C@H](C)O)[C@H](C)C1 247378485 VQZOMGCWWMLRGW-AGIUHOORSA-N 312.414 -0.226 30 20 DBED C[C@H](O)C(=O)N1CCN(CC(=O)N(CCC#N)CCC#N)CC1 270933463 XBXRIVXAAINXFO-ZDUSSCGKSA-N 321.381 -0.833 30 20 DBED C=CCS(=O)(=O)CCNC(=O)Nc1cccc(C(N)=O)n1 272970039 NCTJXXDCQIHBDF-UHFFFAOYSA-N 312.351 -0.097 30 20 DBED C[C@H](C(=O)N(C)CCC#N)N1CCC[C@](O)(Cn2ccnn2)C1 284527250 JPWPLRWNBJKYKI-UKRRQHHQSA-N 320.397 -0.134 30 20 DBED CN1C(=O)CN(NS(=O)(=O)Cc2ccc(C#N)cc2)C1=O 289064979 FGQCAOKLZQRXHW-UHFFFAOYSA-N 308.319 -0.213 30 20 DBED C=CCCOCCNC(=O)C(=O)N1CC(=O)N[C@H]2CCCC[C@H]21 289418372 PKQAATDCNIUZAL-QWHCGFSZSA-N 323.393 -0.035 30 20 DBED C=C[C@@H](CO)NC(=O)N[C@@H]1CC(=O)N(C)[C@H]1c1ccnn1C 291854391 JVDTVUQRWYVHAJ-OPQQBVKSSA-N 307.354 -0.462 30 20 DBED CC(C)n1cnnc1CN(C)c1c(C#N)c(=O)n(C)c(=O)n1C 292429720 XDWYHDRFXYTYHN-UHFFFAOYSA-N 317.353 -0.236 30 20 DBED CN(CCN1CCOCC1)/C(O)=N/CCN1C(=O)CCC1=O 329534599 YRXXZZCWHOULJG-UHFFFAOYSA-N 312.370 -0.687 30 20 DBED CS(=O)(=O)N1CCN(C/C(O)=N/C[C@@H]2CCCOC2)CC1 329910349 VTRWAYGGEQLQTD-LBPRGKRZSA-N 319.427 -0.053 30 20 DBED COC/C(O)=N/C1CN(C(=O)[C@@H]2CCCCS2(=O)=O)C1 330147001 IIHXQKHJJOLXSJ-JTQLQIEISA-N 304.368 -0.233 30 20 DBED CNC(=O)CN1CCC(N/C(O)=N/CCn2cccn2)CC1 330826004 QNPLZTBIFFJGFI-UHFFFAOYSA-N 308.386 -0.403 30 20 DBED C[C@H](C[S@@](C)=O)N/C(O)=N/CCC(=O)N1CCOCC1 330828915 IGBDMIVZIJKECH-CFMSYZGJSA-N 305.400 -0.494 30 20 DBED COCCN(CCC#N)S(=O)(=O)NCC[C@@H](O)COC 336948148 QFNGIXPKQNJIGJ-LLVKDONJSA-N 309.388 -0.920 30 20 DBED COCCn1cc(CNC(=O)CNc2ccc(C#N)cn2)cn1 337565785 WHMIPXFDOFEIFN-UHFFFAOYSA-N 314.349 0.524 30 20 DBED CCN(C)C(=O)[C@@H]1CSCN1S(=O)(=O)N(C)CCC#N 338729679 WTNYGRUMNXUXTP-JTQLQIEISA-N 320.440 -0.070 30 20 DBED C=CCCOCCNC(=O)NC[C@](C)(O)CN1CCOCC1 339908401 CZQAYAOKSHBNFY-HNNXBMFYSA-N 315.414 -0.039 30 20 DBED C=C(C)COCCNC(=O)NC[C@](C)(O)CN1CCOCC1 354899797 VZGOOJKIYJALMT-HNNXBMFYSA-N 315.414 -0.039 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N[C@@H]1CC(=O)N2CCCC[C@@H]12 355258463 WZYQNSCIAYBISP-OLZOCXBDSA-N 323.393 -0.083 30 20 DBED C=C[C@@H](CO)NC(=O)[C@@H](C)NS(=O)(=O)c1c(C)noc1C 356857599 SEGSPILITNZIPG-SCZZXKLOSA-N 317.367 -0.379 30 20 DBED Cn1cc(S(=O)(=O)Nc2ncccc2C#N)c(=O)n(C)c1=O 361847955 GDBNGTHIMSGZNX-UHFFFAOYSA-N 321.318 -0.849 30 20 DBED C=CCN(C)C(=O)C(=O)N1CCN(c2cnn(C)c2)C(=O)C1 459911913 XGGHLTLZNAAPKQ-UHFFFAOYSA-N 305.338 -0.760 30 20 DBED C#CCN(C)S(=O)(=O)CCCS(=O)(=O)NC1(C#N)CC1 491723284 BHGMQSCVLHWWJF-UHFFFAOYSA-N 319.408 -0.753 30 20 DBED C#C[C@@H](C)N(C)C(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 491734575 LJTYYQQFBHDBOD-ZIAGYGMSSA-N 307.394 -0.353 30 20 DBED N#CCCCNS(=O)(=O)c1ccc(S(N)(=O)=O)cc1 541309532 JLTAGPVAKIJJFI-UHFFFAOYSA-N 303.365 -0.084 30 20 DBED CC[C@H](CC#N)NC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C 545863688 JXCXCQOTJFJIOR-SECBINFHSA-N 317.349 -0.002 30 20 DBED C[C@](C#N)(NC(=O)CN1C(=O)N[C@]2(CCCNC2)C1=O)C1CC1 568626302 QKKWEPNKMJCXGE-CABCVRRESA-N 319.365 -0.531 30 20 DBED C=CCCC[C@H](C)NC(=O)C(=O)NCC(=O)N1CCNCC1 575355528 VDDUDXVOPHXYNO-LBPRGKRZSA-N 310.398 -0.605 30 20 DBED CNS(=O)(=O)[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)o2)C1 577973003 VMQZWQALAZYCQJ-SECBINFHSA-N 319.364 -0.537 30 20 DBED N#Cc1ccc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1 594874750 SSELBOCRKFXCAH-DGCLKSJQSA-N 320.374 -0.509 30 20 DBED CCc1nc(C#N)cc(Nc2cnn(CC(=O)NCCO)c2)n1 596141138 IXNKTDRWDNVKAU-UHFFFAOYSA-N 315.337 -0.041 30 20 DBED N#Cc1ccc2c(c1)N(C(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)CC2 597445485 UYLOCNFAWCWCDS-RBSFLKMASA-N 300.314 -0.140 30 20 DBED N#Cc1cccc(S(=O)(=O)NCC(=O)NC2(CO)CCC2)c1 598739572 FTEKPCXTDPUAIZ-UHFFFAOYSA-N 323.374 -0.132 30 20 DBED N#CCCN1CCN(C(=O)C(=O)N[C@@H]2CCC[C@@H]2CCO)CC1 602275080 YHYJXSUFKIRLNM-ZIAGYGMSSA-N 322.409 -0.288 30 20 DBED CN(C[C@H](O)CN1CCOCC1)C(=O)Nc1nn(C)cc1C#N 610584943 QBVVOBPYHKJCDZ-LBPRGKRZSA-N 322.369 -0.551 30 20 DBED CS(=O)(=O)Cc1nc(=NC(=O)N2CC[C@@](F)(C#N)C2)o[nH]1 615541612 XIAMCUWLRYFFIQ-SNVBAGLBSA-N 317.302 -0.494 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@@H]3CCC[C@@]3(N)C2)C1=O 621698472 YOKYWXRTQFCTMT-ZUZCIYMTSA-N 320.349 -0.697 30 20 DBED C=C[C@@H]1OCC[C@H]1NC(=O)C(=O)Nc1ccnc(OCCO)c1 657991822 YBWIATIJGLQGPL-NEPJUHHUSA-N 321.333 -0.149 30 20 DBED C=CCCNC(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 661569215 IMMOSACASVDYNO-UHFFFAOYSA-N 322.369 -0.766 30 20 DBED C[C@@H]1CC(=NC(=O)[C@@H](C)NS(=O)(=O)c2cnn(C)c2)NO1 765373997 WXCNIBGTSTYILP-HTQZYQBOSA-N 315.355 -0.675 30 20 DBED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CC(O)C1 765854436 JBZFPLAWRCBABI-UHFFFAOYSA-N 309.347 -0.682 30 20 DBED N#Cc1ncn(CC(=O)NC[C@H](O)COc2cccc(F)c2)n1 769298676 SEOWRMZLHUFXRI-NSHDSACASA-N 319.296 -0.155 30 20 DBED C#C[C@H](NC(=O)CN1CCS(=O)(=O)CC1)[C@@H]1CCCO1 772885802 ZDCTVGKGEKBQFV-RYUDHWBXSA-N 300.380 -0.986 30 20 DBED CC(C)[C@](C)(C#N)NC(=O)COC(=O)Cn1ncn(C)c1=O 781265511 FPTGKMIMAKTKFG-ZDUSSCGKSA-N 309.326 -0.821 30 20 DBED CS(=O)(=O)CCOCCNC(=O)N1CC[C@@](F)(C#N)C1 786124775 ARLFSLOLOWNXCD-LLVKDONJSA-N 307.347 -0.305 30 20 DBED C#CCN1CCN(C(=O)CN[C@@H](C)c2nnnn2C2CC2)CC1 792474260 PXALRJYUVRSBIW-LBPRGKRZSA-N 317.397 -0.564 30 20 DBED CN(C)C(=O)c1cccc(S(=O)(=O)O[C@H]2CNOC2)c1 809381394 QBHBXUFUIPTAJW-JTQLQIEISA-N 300.336 -0.003 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CO[C@@H](C)C2)CC1 831568268 CVLBUMMASKIFIH-NWDGAFQWSA-N 315.395 -0.977 30 20 DBED C=C[C@H](O)C(=O)N(CCNC(=O)[C@H](O)C=C)CCC(F)(F)F 834328944 XUSFMSGQAFPNAL-ZJUUUORDSA-N 324.299 -0.023 30 20 DBED Cc1ccc(S(N)(=O)=O)cc1C(=O)N[C@H]1CNC[C@H]1C#N 834499121 FCMUBJHMVFQRPU-SKDRFNHKSA-N 308.363 -0.516 30 20 DBED C#CCN1CCN(C(=O)CN(CCOCCO)C2CCC2)CC1 852293834 XMMXRJUWLOUTLZ-UHFFFAOYSA-N 323.437 -0.373 30 20 DBED C#CC[C@@H](COC)NS(=O)(=O)N(CCC#N)CCOC 859431019 YPMVKXOCUONVRF-LBPRGKRZSA-N 303.384 -0.279 30 20 DBED C[C@H](C#N)N(C1CC1)S(=O)(=O)CCS(=O)(=O)N(C)C 882394296 BOGQZOHVSBBPSK-SECBINFHSA-N 309.413 -0.416 30 20 DBED C#CCSCC(=O)NCCC(=O)N1CCN(C(C)=O)CC1 896258330 LBFZWJLTDDTKBR-UHFFFAOYSA-N 311.407 -0.450 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@@H](N(C)C(=O)[C@H]2CNC(=O)N2)C1 939009267 ZNKRXQQOUOYIGV-GHMZBOCLSA-N 308.382 -0.061 30 20 DBED C[C@@H](C#N)C(=O)N1CCCN(C(=O)[C@H]2CC(=O)N(C)C2)CC1 941316747 GHJFAEJOUYWCRI-RYUDHWBXSA-N 306.366 -0.315 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@@H](NC(=O)CN2CC(=O)NC2=O)C1 942137199 VRCYPAAMGVAWLJ-SNVBAGLBSA-N 322.365 -0.533 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)C(N)=O)[C@@H](C)C2)nc1 945428560 KYYGDMKCSWGDJY-JQWIXIFHSA-N 314.345 -0.485 30 20 DBED CO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)c1cccnn1 946300137 PTPFDGZJYQSNAT-ZIAGYGMSSA-N 314.345 -0.154 30 20 DBED CN1C[C@@H](C(=O)NC[C@@H]2CCN2C(=O)C#CC2CC2)CC1=O 950405376 YETWWWFHEWHWKH-STQMWFEESA-N 303.362 -0.405 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]1CNC(=O)c1cc(C(N)=O)cn1C 951308256 ZMCVWKNEPSDTKJ-MWLCHTKSSA-N 317.349 -0.386 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2CCN2C(=O)CC(N)=O)nc1 951378276 RIYNCMWBOCDVPQ-LLVKDONJSA-N 300.318 -0.731 30 20 DBED C#Cc1ccc(C(=O)N(C)C2CN(C(=O)CC(N)=O)C2)cn1 954916344 GXHJUNVOIORFAV-UHFFFAOYSA-N 300.318 -0.779 30 20 DBED CC#CCN1C[C@@H](O)[C@H](CNC(=O)c2c(C)nnn2CC)C1 958131278 RBYZTBPNQRFENN-CHWSQXEVSA-N 305.382 -0.348 30 20 DBED C#CCCN1C[C@@H](O)[C@@H](CNC(=O)c2cccc(C(N)=O)c2)C1 958191165 ULKPVKAEIOZFGI-LSDHHAIUSA-N 315.373 -0.169 30 20 DBED C=CCN1C[C@H](O)[C@H](CNC(=O)c2cn(CC3CC3)nn2)C1 958527145 VZLSOCKVIJZXBP-OCCSQVGLSA-N 305.382 -0.103 30 20 DBED C#CCCN1C[C@H](CNC(=O)c2ccc(OC)nn2)[C@@H](O)C1 958570607 MPYPEWGLRQMAQM-AAEUAGOBSA-N 304.350 -0.469 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)CCc3nc[nH]n3)C[C@@H]2C1 961288589 HYLPAQCTTYJROM-SDDRHHMPSA-N 316.365 -0.186 30 20 DBED NC(=O)C(=O)N[C@H]1[C@@H]2CN(CC#Cc3ccc(F)cc3)C[C@@H]21 961637407 KEDNCBPQLRBIDW-WDNDVIMCSA-N 301.321 -0.291 30 20 DBED Cc1nonc1C(=O)NC[C@@H]1COCCN1C(=O)[C@@H](C)C#N 964235495 GJTVGNTZXOJLPR-WCBMZHEXSA-N 307.310 -0.505 30 20 DBED O=C(C#CC1CC1)N1CC2(C1)CN(C(=O)c1cc[nH]n1)CCO2 965324054 IJZYCJYISDNXTD-UHFFFAOYSA-N 314.345 -0.124 30 20 DBED C[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1NC(=O)c1nc[nH]n1 966337782 UZYSFSUJQRKKFU-GZMMTYOYSA-N 313.321 -0.105 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H](N(C)C(=O)c2nnn(C)n2)CC1 967631958 YGTUEDVFMOTYJN-GHMZBOCLSA-N 319.369 -0.177 30 20 DBED C#CCN1CC[C@H](C)[C@@H](NC(=O)c2cnc(O)n(C)c2=O)C1 967701550 ORYVWKFQVHRZCX-JQWIXIFHSA-N 304.350 -0.441 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C(F)F)C[C@@H]1O 968348075 NMSAJTDTFQNNSI-VWYCJHECSA-N 315.320 -0.963 30 20 DBED C#CCN1C[C@H]2CC[C@H]1CN2C(=O)Cc1nc2ncccn2n1 972108190 NLXIFJKLBFFEPB-QWHCGFSZSA-N 310.361 -0.025 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)[C@H]3CCC(=O)N3C)C2)C1 972515269 VTXVPVGKWNTTFR-CZUORRHYSA-N 305.378 -0.456 30 20 DBED O=C(N[C@H]1[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] 976483804 OBNQXWZSMJQSLR-DIACKHNESA-N 303.318 -0.362 30 20 DBED C#CCCN1C[C@H]2[C@H](CNC(=O)[C@@H]3CCCS3(=O)=O)[C@H]2C1 979069925 FNSFNPATGUFCOP-FQUUOJAGSA-N 310.419 -0.119 30 20 DBED C#CCN1C[C@H]2C[C@H](NC(=O)Cn3c(O)nnc3O)CC[C@H]2C1 980231312 MGHCVUHVIHDXPM-QJPTWQEYSA-N 319.365 -0.461 30 20 DBED C#CCN[C@@H]1CCC[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C1 981124854 MPSPLRDMLZVGPG-OLZOCXBDSA-N 318.377 -0.803 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](CNC(=O)c2cnc(O)n2C)C1 983219770 DSZDXIJWZOETNW-NXEZZACHSA-N 305.338 -0.136 30 20 DBED C=C(C)CN[C@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)[C@@H]1C 986295344 TWZHXJDKIMQNHN-MNOVXSKESA-N 306.370 -0.468 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CN(C(=O)[C@@H]2COCCO2)C1 992026899 JSYUJRABXXOPRK-IHRRRGAJSA-N 324.377 -0.290 30 20 DBED C[C@@H]1C[C@@H](C(=O)NC2CN(C(=O)C#CC3CC3)C2)CC(=O)N1 995010880 DTSRAOUTBACDCK-ZYHUDNBSSA-N 303.362 -0.359 30 20 DBED CC(=O)N1CCC[C@H]1C(=O)NC1CN(C(=O)C#CC2CC2)C1 997128161 HKVDYZZBEWTVTA-AWEZNQCLSA-N 303.362 -0.262 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@]2(F)CCOC2)C1 998146870 CJIVAFIMYRRHKQ-XJKSGUPXSA-N 323.368 -0.460 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)c2c[nH]c(=O)cn2)C1 1000013079 BPWFOYMDBNPHLR-PWSUYJOCSA-N 318.333 -0.698 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CCC(=O)N2C)C1 1000018120 MKLRQONUUUVRCB-UPJWGTAASA-N 321.377 -0.475 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCC1CCN([C@H](C)C(N)=O)CC1 1001488794 AXRYBGGAWMTDHC-HIFRSBDPSA-N 320.437 -0.214 30 20 DBED C[C@@H]1C[C@@H](NC(=O)c2nnn(C)n2)CN1C(=O)C#CC1CC1 1012590489 JVZXUYLUFWGQFU-MWLCHTKSSA-N 302.338 -0.657 30 20 DBED CC#CCN1CCC2(CC1)C[C@H]2NC(=O)C[C@@H]1NC(=O)NC1=O 1016665354 ZNIYIKHGQDUOET-NWDGAFQWSA-N 318.377 -0.422 30 20 DBED Cc1nn(C)c(=O)c(C(=O)NC[C@H]2CCN(CC#N)C2)c1C 1028726258 WAIVKPMKDVGBBQ-GFCCVEGCSA-N 303.366 -0.028 30 20 DBED CC1(C)NC(=O)N(CC(=O)N2C[C@@H]3CC[C@H](C2)N3CC#N)C1=O 1029573660 ZFRCEMSEFLPXJD-PHIMTYICSA-N 319.365 -0.484 30 20 DBED C#CCN1CC(CNC(=O)c2ccccc2OCC(N)=O)C1 1031830015 LQILPNNRUGOTHU-UHFFFAOYSA-N 301.346 -0.155 30 20 DBED C#CCCN1CC(CNC(=O)c2ccc(-n3cnnn3)cn2)C1 1031874088 IQZLWNLCIKEKNV-UHFFFAOYSA-N 311.349 -0.258 30 20 DBED O=C(C#CC1CC1)N1C[C@@H]2C[C@H]1CN2C[C@@H](O)Cn1cccn1 1032393791 NVMMWJXXENMNAK-HRCADAONSA-N 314.389 -0.058 30 20 DBED C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)Cn1nc(C)n(C)c1=O 1032760237 SGSMEDQYXWYSIZ-STQMWFEESA-N 305.382 -0.249 30 20 DBED C#CCCN1CCCC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 1034216341 CQTBGAAVNFTTSU-LBPRGKRZSA-N 318.381 -0.629 30 20 DBED Cn1nnc2c(C(=O)NC[C@@H]3CN(CC#N)CCO3)ccnc21 1035487017 HFNSLLPIJFCNLP-SNVBAGLBSA-N 315.337 -0.683 30 20 DBED N#CCN1CC2(CCN(C(=O)CN3C(=O)CCC3=O)CC2)C1 1035850211 RKRSHQGLZDXJHC-UHFFFAOYSA-N 304.350 -0.417 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@]1(O)CCN(C(=O)CCOC)C1 1039580190 OSOICQXKUNZRFS-GJZGRUSLSA-N 314.382 -0.570 30 20 DBED Cc1nc(N2C[C@@H](O)[C@H](NC(=O)c3nc[nH]n3)C2)ccc1C#N 1041134686 ZWXMKORLVFOJAH-GHMZBOCLSA-N 313.321 -0.641 30 20 DBED C=CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)[C@@H](C)OCC)C1 1041634015 AXAORDBHXNIROY-VXGBXAGGSA-N 314.382 -0.308 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)c2cc(CC)[nH]n2)C1 1042039982 MXZRPCFCYKJXGL-UHFFFAOYSA-N 322.365 -0.522 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(O)CN(C(=O)[C@H](F)C(C)C)C1 1042815055 WLYLZMSUIOGREL-OCCSQVGLSA-N 316.373 -0.003 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)Cc2ncc[nH]2)C1 1042938547 ZEMYWJPTRZMPLX-UHFFFAOYSA-N 304.350 -0.699 30 20 DBED CO[C@@H]1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042963114 HFHDDKZOALCGSN-UONOGXRCSA-N 320.389 -0.096 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)[C@@]23COC[C@@H]2C3)C1 1043362396 PYOJMMVKGKYOGY-LRDDRELGSA-N 306.362 -0.484 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)[C@H]2CC(=O)N(C)C2)C1 1043403833 CZUQMRIFLUOTFM-NSHDSACASA-N 323.393 -0.634 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)c2cc3n(n2)CCC3)C1 1043515819 HZHKTENFLXFKLR-SNVBAGLBSA-N 317.349 -0.708 30 20 DBED C=CCCCC(=O)NCC1(O)CN(C(=O)[C@H](C)NC(C)=O)C1 1045451112 KOCYNJOFWRKLMZ-NSHDSACASA-N 311.382 -0.443 30 20 DBED CCc1cc(C(=O)N2CC(O)(CNC(=O)[C@@H](C)C#N)C2)n[nH]1 1045541014 OSYTTWPCWXRPKU-VIFPVBQESA-N 305.338 -0.565 30 20 DBED CCCN1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)[C@@H](C)C#N)C1 1045559734 OXAHSWXYXFHOMN-QWHCGFSZSA-N 322.409 -0.290 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)[C@]2(C)CCNC2=O)C1 1046636007 BHCDTYJFKATHQW-OAHLLOKOSA-N 321.377 -0.994 30 20 DBED CN(C(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21)[C@H]1CN(CC#N)C[C@@H]1O 1047468367 GKIFSOYJLWUARL-HTVCTNPSSA-N 309.366 -0.935 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CCCCC(=O)N2)C1 1047607839 CMJUKCLGTCJTRP-IHRRRGAJSA-N 307.394 -0.428 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)NC(C)=O)C1 1048135661 GDLSKMXHCRRVDL-UBHSHLNASA-N 323.393 -0.655 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2COC(=O)N2)C1 1048769665 OLXMOGIWKPLNKF-DCAQKATOSA-N 311.338 -0.909 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2CN(CC(=O)NC)C[C@@H]2C1 1049068147 KJIBWCBMZAEUMV-RQJABVFESA-N 307.394 -0.286 30 20 DBED N#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCS(=O)(=O)N1 1049898790 DXOBSVHQMRLSFQ-IJLUTSLNSA-N 312.395 -0.733 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H]1CN(C(=O)C(C)C)C[C@H]1C 1052006051 BBYIHPBMUJQBLH-OLZOCXBDSA-N 307.394 -0.007 30 20 DBED Cn1cc(C(=O)N2CC[C@@H](N3CCN(CC#N)CC3)C2)nn1 1052026691 SEIBIFOAVVYLEN-GFCCVEGCSA-N 303.370 -0.829 30 20 DBED C#CCN1CC2(C1)CN(C(=O)c1ccc3nnnn3c1)CCO2 1053341048 USASMCWBWMZZGO-UHFFFAOYSA-N 312.333 -0.716 30 20 DBED C#CCN1CC2(CC[C@H](CNC(=O)[C@@H]3CC(=O)N(C)C3)O2)C1 1053606502 LXDFEELLQQYISS-CHWSQXEVSA-N 305.378 -0.553 30 20 DBED C#CCN1CC2(CC[C@@H](CNC(=O)c3cc4n(n3)CCO4)O2)C1 1053610257 KOHVXTRRRGCBMR-LBPRGKRZSA-N 316.361 -0.128 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)[C@@H]3CN4CCC3CC4)CO2)C1 1053803616 WTGGAVWKMNWFMH-LSDHHAIUSA-N 303.406 -0.079 30 20 DBED C=CCN1CC2(C[C@H](NC(=O)c3cccn4nnnc34)CO2)C1 1053814892 ZDGFBIUDNNBOQF-NSHDSACASA-N 314.349 -0.117 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)[C@H](C)N3C(=O)CCC3=O)CO2)C1 1053820814 MJIHOQKLPKYJIJ-RYUDHWBXSA-N 319.361 -0.883 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@](CO)(NC(=O)c2cocn2)C1 1055834690 ZAEWDBHPOSAETM-HZMBPMFUSA-N 306.322 -0.082 30 20 DBED CC(C)C#CC(=O)N[C@@]1(CO)CCCN(C(=O)c2cnon2)C1 1055933701 SQYYETOQWHODRA-HNNXBMFYSA-N 320.349 -0.188 30 20 DBED C[C@@H](C#N)C(=O)N[C@@]1(CO)CCCN(C(=O)c2cnn(C)c2)C1 1056092764 CUDXWEGVPLWFQC-NHYWBVRUSA-N 319.365 -0.337 30 20 DBED CC(=O)NCC(=O)N1C[C@@H]2CCCN(C(=O)[C@H](C)C#N)[C@@H]2C1 1056713022 BOKZEVMSIIUNJB-KGYLQXTDSA-N 306.366 -0.268 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)Cn1ccccc1=O 1057172813 SSIJBNZOUMJLTG-UHFFFAOYSA-N 321.377 -0.248 30 20 DBED N#Cc1ccc(NC2CCN(C(=O)[C@@H]3CNC(=O)N3)CC2)nn1 1057408987 LHWZIZNZTIPBLE-NSHDSACASA-N 315.337 -0.567 30 20 DBED C=C[C@](C)(CC)C(=O)NCCN(CCO)C(=O)c1cnnn1C 1057474150 CEQRXNSZDYZNBR-OAHLLOKOSA-N 323.397 -0.032 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)c1ccnc(O)c1 1057516809 ASSGTUIVLPZOLU-UHFFFAOYSA-N 319.361 -0.003 30 20 DBED C=C[C@@H](CC)CC(=O)NCCN(CCO)C(=O)Cn1ncnn1 1057674817 CJXKXMYVVOIBMJ-LBPRGKRZSA-N 324.385 -0.788 30 20 DBED COc1cc(C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N)nn1C 1058208075 HPYVEJIGBJQOFU-JTQLQIEISA-N 323.353 -0.861 30 20 DBED Cc1cc(N2CC[C@@H](NC(=O)Cn3ncnn3)C2)c(C#N)cn1 1058452568 VQXLDVOTOXLLEI-GFCCVEGCSA-N 312.337 -0.357 30 20 DBED C=CCCOCC(=O)NCCN(CCO)C(=O)Cc1ncc[nH]1 1058547357 DESCPBKGGFFMQD-UHFFFAOYSA-N 324.381 -0.518 30 20 DBED N#Cc1cncc(N[C@H]2C[C@@H](NC(=O)[C@@H]3CCCNC3=O)C2)n1 1059740122 FIHODVRKKJTZBE-JFGNBEQYSA-N 314.349 -0.066 30 20 DBED O=C(C#CC1CC1)NCC[C@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 1060063097 GZZLUJINWKKAMW-UONOGXRCSA-N 317.389 -0.109 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)CC1(O)CCC1 1061846782 HIFQHFJDGXCVHT-VXGBXAGGSA-N 309.366 -0.205 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)CCn1ccnn1 1061848881 WFRNQAOSPJZDMN-RYUDHWBXSA-N 320.353 -0.829 30 20 DBED C=C1CC(C)(C(=O)NC[C@H]2COCCN2C(=O)CNC(C)=O)C1 1061885829 XMVIJADFTDZAAC-ZDUSSCGKSA-N 323.393 -0.178 30 20 DBED N#Cc1ccc(N2[C@H]3CC[C@H]2CN(C(=O)Cn2ncnn2)C3)cn1 1061992075 XAUQTSKIQFFXNR-KBPBESRZSA-N 324.348 -0.180 30 20 DBED N#CCSCC(=O)NC1(CNC(=O)CNC(N)=O)CCC1 1062489432 FBRSMEKKFXRBNQ-UHFFFAOYSA-N 313.383 -0.933 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(NC(=O)Cn2cncn2)CCC1 1062866481 NQQMIMRQLKHFOM-AWEZNQCLSA-N 321.381 -0.240 30 20 DBED C=CCO[C@H](C)C(=O)NCC1(NC(=O)[C@H]2CNC(=O)N2)CCC1 1063424155 NCMLMINZZQHMKR-GHMZBOCLSA-N 324.381 -0.586 30 20 DBED CCC(=O)NCC(=O)N1CCO[C@@H](CNC(=O)[C@@H](C)C#N)C1 1064983160 OPPPVJSNIKTFML-QWRGUYRKSA-N 310.354 -0.984 30 20 DBED CC(C)C#CC(=O)N1CCO[C@H](CNC(=O)c2cnon2)C1 1065129778 VEOAXKOXWCSHGB-LLVKDONJSA-N 306.322 -0.314 30 20 DBED COCC(=O)N1CCC[C@@](CO)(Nc2nccnc2C#N)C1 1066879293 DGQJPXIBTBZKFL-CQSZACIVSA-N 305.338 -0.240 30 20 DBED C[C@@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1Nc1nccnc1C#N 1067042772 WKNFZRDCXNASFL-KOLCDFICSA-N 313.325 -0.706 30 20 DBED C=CCCC(=O)N1CCOC2(C1)CN(C(=O)[C@@H]1COC(=O)N1)C2 1068346531 UFSAKSAVFKBDLV-NSHDSACASA-N 323.349 -0.499 30 20 DBED C=CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H]2CCC(=O)N2)C1 1070079560 GLJDWNIWZZEXCF-XQQFMLRXSA-N 318.381 -0.526 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCC[C@@H](NC(=O)Cc2nc[nH]n2)C1 1070672341 FNTFASYNSCLUDG-ABAIWWIYSA-N 321.381 -0.219 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC[C@@H](NC(=O)c2cnn(C)n2)C1 1070726609 DPUIAFLICGJMDN-NWDGAFQWSA-N 319.365 -0.426 30 20 DBED C#CCCN1CC[C@]2(C1)CN(C(=O)Cn1cnnn1)C[C@@H](C)O2 1071134692 WHDZTBFXABYXBM-HIFRSBDPSA-N 318.381 -0.612 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H](C)[C@@H](NC(=O)C2CCC2)C1 1071935331 AENDGNZPXBAING-AAEUAGOBSA-N 305.378 -0.111 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H](C)[C@H](NC(=O)C#CC2CC2)C1 1071936419 PBOKSIQAFCYGGM-GXTWGEPZSA-N 315.373 -0.498 30 20 DBED C=CCOCC(=O)N[C@H]1CN(C(=O)c2cnn(C)n2)C[C@@H]1C 1072389974 KEYPDGFSZRYFCA-JQWIXIFHSA-N 307.354 -0.406 30 20 DBED C#CCCN1CCO[C@@H]2CCN(C(=O)C3(C(N)=O)CC3)C[C@H]21 1074327148 PPTQQSIBQVCFKK-CHWSQXEVSA-N 305.378 -0.423 30 20 DBED C=CCOCC(=O)NCC[C@H](C)NC(=O)C1CN(C(C)=O)C1 1075917701 FPBADBXTIPANGO-NSHDSACASA-N 311.382 -0.322 30 20 DBED C[C@@H](CCNC(=O)c1cc(C#N)c[nH]1)NC(=O)CC(=O)N(C)C 1076076701 XSQKDLRJVOHEKM-JTQLQIEISA-N 319.365 -0.011 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)C1CC(OC)C1 1076993962 GHNGGNMKKXILRY-HIFPTAJRSA-N 323.393 -0.438 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)c2ccnc3c2nnn3C)C1 1077577656 RHMBXNQQQNJXSS-GHMZBOCLSA-N 302.338 -0.676 30 20 DBED C#CCNC(=O)CC(=O)N1CC(N(CC)C(=O)COCC)C1 1079249780 VGXQGAASBWSBBG-UHFFFAOYSA-N 309.366 -0.778 30 20 DBED C#CCCCC(=O)N(CC)C1CN(C(=O)Cn2cnnn2)C1 1079679431 FPVGBBXCWYTTMG-UHFFFAOYSA-N 304.354 -0.464 30 20 DBED C#CCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)Cn2ccnc2)C1 1079774720 JUECCVNWXCZBGK-ZDUSSCGKSA-N 318.377 -0.019 30 20 DBED CCN(C(=O)CN1CCCNC1=O)C1CN(C(=O)[C@@H](C)C#N)C1 1080067046 KYXZBPAHTLMQRL-NSHDSACASA-N 321.381 -0.379 30 20 DBED C=CCN1C[C@@H](NC(=O)CN2CCS(=O)(=O)CC2)[C@H](C)C1 1080930715 JFRAWDUWQJHIQH-CHWSQXEVSA-N 315.439 -0.661 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)Cc2ccon2)C1 1081365049 KGXHPQCNJDJKIM-WCQYABFASA-N 323.349 -0.645 30 20 DBED C=CC(C)(C)CC(=O)N1C[C@H](CNC(=O)CC(N)=O)[C@@H](O)C1 1081369135 WAMXLFCPWCYSDD-QWRGUYRKSA-N 311.382 -0.600 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@H](CNC(=O)CCc2nc[nH]n2)C1 1081388900 QJUUAOXIYSXPJO-NEPJUHHUSA-N 321.381 -0.361 30 20 DBED C#CCCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)CC(=O)NCC)C1 1081425081 NGCONVZHBILIOY-CHWSQXEVSA-N 323.393 -0.748 30 20 DBED C=C(C)CCC(=O)N1C[C@@H](O)[C@H](CNC(=O)Cn2nccn2)C1 1081519822 LHQZJTSBXSCYDC-CHWSQXEVSA-N 321.381 -0.430 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)Cc1ccc(C(N)=O)nc1 1081851454 VDTGWVFOIBPSEV-CHWSQXEVSA-N 317.349 -0.938 30 20 DBED C[C@@H]1CN(C(=O)c2cn([C@@H]3CCOC3)nn2)C[C@H]1NCC#N 1082847325 ATSKKMXLLAWUDB-IJLUTSLNSA-N 304.354 -0.187 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCc3ncncc3C2)C1 1083517405 YVFVZHFRAXYMME-DFBGVHRSSA-N 302.378 -0.071 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)c2cnc3ccc(OC)nn23)C1 1083581116 LIVSHFADFMRLHM-PWSUYJOCSA-N 317.349 -0.301 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)c2ccoc2CC(N)=O)C1 1083731960 WUIRNQBGZABNIT-NEPJUHHUSA-N 305.334 -0.894 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCc3c[nH]nc3C2)C1 1084075223 BAEGTJXPAHRWHP-DFBGVHRSSA-N 302.378 -0.301 30 20 DBED CC(C)[C@@H](O)C(=O)N1C[C@@H](NCC#N)[C@H](c2cnn(C)c2)C1 1086977727 LGPWNUKJMJINDE-BFHYXJOUSA-N 305.382 -0.155 30 20 DBED C#CCCN1CC[C@H](NC(=O)CN2CC(=O)N(C)C2=O)[C@H]1CC 1087794253 BKHIRIRTFADLKY-QWHCGFSZSA-N 320.393 -0.127 30 20 DBED C#CCN1CC[C@H](NC(=O)c2coc(S(N)(=O)=O)c2)[C@H]1C 1088675898 LQGDDRLGJICNCA-KOLCDFICSA-N 311.363 -0.247 30 20 DBED C[C@@H]1[C@@H](NC(=O)c2cn([C@@H]3CCOC3)nn2)CCN1CC#N 1088965631 XTYWIRGNBZNRAL-UTUOFQBUSA-N 304.354 -0.044 30 20 DBED C[C@H]1CC[C@H](NC(=O)CNC(N)=O)CN1c1nccnc1C#N 1089109157 FMRMAOPEGSANBH-UWVGGRQHSA-N 317.353 -0.510 30 20 DBED CCN(c1ccc(C#N)nn1)[C@H](C)CNC(=O)[C@@H]1CCNC1=O 1089722982 LXAWNOVPBMOILN-ZYHUDNBSSA-N 316.365 -0.185 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2cn(CCOC)nc2C)[C@@H](O)C1 1090259366 UDOHJVKPZJOBMI-CABCVRRESA-N 320.393 -0.364 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2ccc(NC(C)=O)cn2)[C@@H](O)C1 1090312086 DGTXENPFFAGROG-HIFRSBDPSA-N 316.361 -0.162 30 20 DBED COCCn1nccc1C(=O)N[C@H]1CCN(CC#N)C[C@@H]1O 1090350499 WRJPTKWUBGFWEZ-AAEUAGOBSA-N 307.354 -0.782 30 20 DBED Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)CSCC#N)C2)nn1 1090394205 GGPQIXUNJHYSMT-GHMZBOCLSA-N 307.379 -0.293 30 20 DBED Cc1nn(C)c(=O)c(C(=O)N[C@H]2CCN(CC#N)C[C@H]2O)c1C 1090478802 HTRPMTYPSLDMRR-NWDGAFQWSA-N 319.365 -0.914 30 20 DBED CC#CCN1CC[C@H](NC(=O)Cn2nc(C)ccc2=O)[C@@H](O)C1 1090747284 ICKXLUQLFHFEFB-KBPBESRZSA-N 318.377 -0.874 30 20 DBED COCCn1cc(C(=O)N[C@H]2CCN(CC#N)C[C@@H]2O)cn1 1090764460 ROEZALXCSGQQIZ-STQMWFEESA-N 307.354 -0.782 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cnc(OCC)cn2)[C@@H](O)C1 1090856199 YEHGWMHTMYVNSB-AAEUAGOBSA-N 304.350 -0.327 30 20 DBED Cn1nnc(CNC2CC(CNC(=O)c3c[nH]c(C#N)c3)C2)n1 1090991310 XPIUAJXQAJEZRI-UHFFFAOYSA-N 314.353 -0.292 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)CC(F)(F)F)C2)nn1 1091078290 KAICVNOOHWCAKY-BDAKNGLRSA-N 315.255 -0.034 30 20 DBED COC(=O)c1nccc(N2C[C@H](O)[C@H](NC(=O)[C@H](C)C#N)C2)n1 1091079284 NKZQBIAYMYQWTC-BBBLOLIVSA-N 319.321 -0.911 30 20 DBED CN(C)CCCC(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@@H]1O 1091175788 SAJOOXDMRMKRSQ-HIFRSBDPSA-N 317.393 -0.039 30 20 DBED CC(C)[C@@H](O)C(=O)NC1[C@@H]2CN(c3ccnc(C#N)n3)C[C@@H]12 1093260287 IUSRBOANYIFCDP-GPCCPHFNSA-N 301.350 -0.084 30 20 DBED Cc1ccc(C#N)c(NCCNC(=O)[C@@H]2CCS(=O)(=O)N2)n1 1093646858 OJOXLPYAIHTKPG-NSHDSACASA-N 323.378 -0.519 30 20 DBED COCc1nc(C(=O)NCCN=c2cc[nH]c(C#N)n2)co1 1093818143 XVYFSWRPLSTDSI-UHFFFAOYSA-N 302.294 -0.254 30 20 DBED N#Cc1ccc(NCCNC(=O)[C@H]2CCS(=O)(=O)C2)nn1 1093978731 QRNSLIKHISQVKO-VIFPVBQESA-N 309.351 -0.689 30 20 DBED CCN1CCN(C(=O)c2ccc(C#N)[nH]2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094621835 KUXCQIZJCZIIMJ-QWHCGFSZSA-N 322.390 -0.170 30 20 DBED C#CCN1CCN(C(=O)c2n[nH]cc2C)[C@@H]2CS(=O)(=O)C[C@@H]21 1094632062 XGOGUXOFNMEFDE-NWDGAFQWSA-N 322.390 -0.725 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H]1CCCN(C(=O)CCNC(N)=O)C1 1095296113 QSZYBZUMRCPVPG-GFCCVEGCSA-N 316.365 -0.164 30 20 DBED Cc1nsc(N(C)CCCNC(=O)[C@H]2CNC(=O)N2)c1C#N 1095715308 LPAXMCXZCUGRDG-SNVBAGLBSA-N 322.394 -0.053 30 20 DBED CNC(=O)NCC(=O)NCCCN(C)c1ccncc1C#N 1095763052 UCTVBIZVKCZBCI-UHFFFAOYSA-N 304.354 -0.175 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CCN(c2ccnc(C#N)n2)C1 1096359582 DKXWRSAKHISJIE-NSHDSACASA-N 312.333 -0.817 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCN(c2cnc(C#N)cn2)C1 1096360401 NEBHWKVCGPNCCU-LLVKDONJSA-N 312.333 -0.817 30 20 DBED C[C@H](CNC(=O)[C@H]1CCCNC1=O)Nc1nccnc1C#N 1098120633 JLUXGWNIXVBUQR-ZJUUUORDSA-N 302.338 -0.209 30 20 DBED COCC(=O)N(C)CC(=O)NC[C@@H](C)Nc1ccc(C#N)nn1 1098329208 DSADPJSLUWBTFI-SNVBAGLBSA-N 320.353 -0.630 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CCC(=O)NC1)Nc1ccc(C#N)nn1 1098397652 RJGDPIYHWZAOMT-VHSXEESVSA-N 302.338 -0.209 30 20 DBED C#CCN(CCO)C1CCN(C(=O)[C@@H]2CCCNC2=O)CC1 1098399906 WEUHUYQELMDHSD-CQSZACIVSA-N 307.394 -0.569 30 20 DBED CC(=O)N[C@@H](C)C(=O)NCC[C@H](C)N=c1cc[nH]c(C#N)n1 1098863591 JPBWZROHOXNLFM-UWVGGRQHSA-N 304.354 -0.399 30 20 DBED C=C(Cl)CN1CC[C@H](NC(=O)C2(C(=O)NC)CC2)[C@H](O)C1 1100033597 IIVPSNGOHOVFRS-WDEREUQCSA-N 315.801 -0.184 30 20 DBED CN(CCNC(=O)C[C@@H]1NC(=O)NC1=O)c1ccc(C#N)cn1 1100388281 GGJUEWIIKFSCJM-JTQLQIEISA-N 316.321 -0.896 30 20 DBED C#CCO[C@@H](C)C(=O)NCCN(CC)c1ccc2nnnn2n1 1100620550 OIMIPJKWOQVYMA-NSHDSACASA-N 317.353 -0.500 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@@H]1CCN(c2ncnc3c2nnn3C)C1 1102701833 JFKISVGTOJSYRP-VHSXEESVSA-N 314.353 -0.045 30 20 DBED C=CCN1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 1103477439 YMYMUUCOTJRAOR-UTUOFQBUSA-N 308.382 -0.155 30 20 DBED CCS(=O)(=O)CC(=O)NC[C@@H](C)CN=c1cc[nH]cc1C#N 1103986660 LMEPCLGAELFYER-NSHDSACASA-N 324.406 -0.026 30 20 DBED CN(CC(=O)N1CC(n2cc(CNCC#N)nn2)C1)C1CCC1 1105262149 JSLRPUKINMKOJD-UHFFFAOYSA-N 317.397 -0.241 30 20 DBED C=CCNCc1cn(C2CN(C(=O)COCCOCC)C2)nn1 1105379013 OEBNOAVHHDUIRK-UHFFFAOYSA-N 323.397 -0.010 30 20 DBED COCCO[C@H](C)C(=O)NC[C@@H](O)CNc1ccc(C#N)nn1 1105962338 FBBFPLRVFXGPCK-PWSUYJOCSA-N 323.353 -0.711 30 20 DBED N#Cc1nc(=NC[C@H](O)CNC(=O)CCc2ccon2)cc[nH]1 1106019828 RMUPKKQWZOVHFN-NSHDSACASA-N 316.321 -0.720 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)CCCN(C)C)C[C@H]1C 1106600345 YJKYKGWDXYSHNI-HUUCEWRRSA-N 322.453 -0.238 30 20 DBED C=CCCNC[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)N2)C[C@H]1C 1106991749 OKHZENBKKHBVQB-UPJWGTAASA-N 315.439 -0.062 30 20 DBED CNC(=O)NCCC(=O)NC/C=C/CNc1nccnc1C#N 1107151011 DBTQCZDGEZHJFL-NSCUHMNNSA-N 317.353 -0.248 30 20 DBED CNS(=O)(=O)CC(=O)NC/C=C/CNc1ncccc1C#N 1107215002 WFNSTWDRWGMDOL-NSCUHMNNSA-N 323.378 -0.413 30 20 DBED C[C@H](CNc1nccn2nnnc12)NC(=O)c1c[nH]c(C#N)c1 1107695494 HLZPLFGBNWGEFJ-MRVPVSSYSA-N 311.309 -0.051 30 20 DBED COCC#CCN1CCO[C@](C)(CNC(=O)[C@H]2CCOC2)C1 1107794283 ZCUXOWZTUDKXFI-GOEBONIOSA-N 310.394 -0.120 30 20 DBED C[C@]1(CNC(=O)C#CC2CC2)CN(Cc2nc(O)n[nH]2)CCO1 1107931747 ADSYQWKVLHVURV-HNNXBMFYSA-N 319.365 -0.369 30 20 DBED Cc1ccc(C#N)c(NC[C@@H](C)NC(=O)[C@@H]2CNC(=O)N2)n1 1108076118 NDJUUKOHXJJRKG-KOLCDFICSA-N 302.338 -0.140 30 20 DBED COCC(=O)N(C)CC(=O)N[C@H](C)CNc1ccc(C#N)nc1 1108174054 HSXKNUQNJIXASU-LLVKDONJSA-N 319.365 -0.025 30 20 DBED C[C@@H](CN=c1cc[nH]cc1C#N)NC(=O)[C@@H]1CN(C)CCO1 1108303821 ZOWFNIFMJQUKAI-FZMZJTMJSA-N 303.366 -0.378 30 20 DBED CSC[C@@H](C)C(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1 1108522083 MWJHWKCHRZUGHF-MNOVXSKESA-N 310.423 -0.090 30 20 DBED CC(C)[C@H](C(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1)N(C)C 1108569668 NCZQCXVSHBLSFS-SWLSCSKDSA-N 321.425 -0.503 30 20 DBED C[C@H](CN(C)c1cncc(C#N)n1)NC(=O)CCn1cnnn1 1109053705 NDQMMDMUKGGWGU-SNVBAGLBSA-N 315.341 -0.634 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H]1COCCN1C 1109157852 CPMRFOOISKMJCT-UGUYLWEFSA-N 321.421 -0.312 30 20 DBED Cc1cc(C#N)nc(N(C)C[C@@H](C)NC(=O)[C@@H]2CNC(=O)N2)n1 1109210680 GAJFVYIWJGPGQT-KOLCDFICSA-N 317.353 -0.721 30 20 DBED CN(CCCNc1nccnc1C#N)C(=O)Cc1nc[nH]n1 1109516769 RTRVACCPMNBKGZ-UHFFFAOYSA-N 300.326 -0.031 30 20 DBED N#Cc1nccnc1N1C[C@H]2C[C@H]1[C@H]2NC(=O)C1(C(N)=O)CC1 1109740030 JJTUGIOSLXWQFR-MIMYLULJSA-N 312.333 -0.693 30 20 DBED N#Cc1ccc(NC[C@@H](NC(=O)[C@H]2CNC(=O)N2)C2CC2)nc1 1109960265 LDLRXGQTFCCYHO-VXGBXAGGSA-N 314.349 -0.059 30 20 DBED N#Cc1cnc(NC[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C2CC2)cn1 1109978370 QILZQYULZFVMDU-GRYCIOLGSA-N 314.349 -0.224 30 20 DBED N#Cc1ccc(N2CC[C@](O)(CNC(=O)C#CC3CC3)C2)nn1 1111071196 SHLPXSJKFHFDNY-INIZCTEOSA-N 311.345 -0.181 30 20 DBED Cc1nc(NCCN(CCO)C(=O)[C@H](C)C#N)nc(N(C)C)n1 1111436234 XEYYHZZAQBCGCH-SNVBAGLBSA-N 321.385 -0.362 30 20 DBED C#CCN1C[C@@H]2CCC[C@]2(NC(=O)CCNS(C)(=O)=O)C1 1111768202 VPHJOLRMFNYWGE-JSGCOSHPSA-N 313.423 -0.470 30 20 DBED CN(CCCN(C)c1ccc(C#N)nc1)C(=O)Cn1ncnn1 1112131610 LHXKSLWINQNBJK-UHFFFAOYSA-N 314.353 -0.075 30 20 DBED C[C@@H](NC(=O)Cn1cncn1)[C@@H](C)Nc1cncc(C#N)n1 1113030892 IEKFUZNRRUQAKI-NXEZZACHSA-N 300.326 -0.055 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)C[C@H](C)COC)CC1 1113484322 GCNZXDGUZRGXHJ-KBPBESRZSA-N 309.410 -0.059 30 20 DBED CCO[C@@H](C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21)C1CC1 1114291525 ZTJLSPURLGHVGG-PAPYEOQZSA-N 320.393 -0.512 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)CCN(C)C)[C@H]2C1 1114780396 IHWJECZCRXVBMP-AVGNSLFASA-N 306.410 -0.878 30 20 DBED CC#CCN1C[C@H]2[C@H](NC(=O)CNC(=O)C3CCOCC3)[C@H]2C1 1114988454 FUGQYIRVKAHGIG-FOLVSLTJSA-N 319.405 -0.401 30 20 DBED C=CCCCN1C[C@@H]2C(NC(=O)CN3CC(=O)N(C)C3=O)[C@H]2C1 1115113281 IIIQUKNQIHCCPJ-RYUDHWBXSA-N 320.393 -0.107 30 20 DBED CC1CCN(C[C@@H](C)NC(=O)C(=O)N2CCO[C@H](C#N)C2)CC1 1118731484 DIZOWKDVTMWJTC-ZIAGYGMSSA-N 322.409 -0.026 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)C[C@H]2CCOC2)CC1 1119054845 XLPKJOCEYWAZCN-GFCCVEGCSA-N 315.395 -0.975 30 20 DBED N#Cc1cncc(N[C@@H](CO)CNC(=O)Cn2cccn2)n1 1121056469 VOQXQYLWBFGSPJ-LLVKDONJSA-N 301.310 -0.866 30 20 DBED C#CCOCCC(=O)NC1CC2(CC(NCC(=O)NC)C2)C1 1121102784 MNMZRIKACSIHGT-UHFFFAOYSA-N 307.394 -0.211 30 20 DBED Cc1cc(C#N)nc(N[C@@H](CO)CNC(=O)[C@@H]2CCOC2)n1 1121171700 JWRSJONDKMOVBU-ZYHUDNBSSA-N 305.338 -0.418 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)Cc2cncnc2)nc1 1121411755 HIPXFDGMHTVIMQ-ZDUSSCGKSA-N 312.333 -0.125 30 20 DBED CCn1cnc(C(=O)NC[C@H](CO)Nc2cnc(C#N)cn2)c1 1121853999 IHYLAUYGRPGDBK-LLVKDONJSA-N 315.337 -0.233 30 20 DBED Cc1coc(C(=O)NC[C@@H](CO)N=c2cc[nH]c(C#N)n2)c1 1122430204 NLYNVJYWNBTVRG-JTQLQIEISA-N 301.306 -0.126 30 20 DBED CN(C)C(=O)CC(=O)NC[C@@H](CO)Nc1ncc(C#N)cc1F 1122637903 YQMFZWUNSXYGMZ-JTQLQIEISA-N 323.328 -0.540 30 20 DBED Cn1c(=O)ccn(CC(=O)[C@@H](C#N)c2cccc(F)n2)c1=O 1122713817 FCCGZLGMGCDHMK-VIFPVBQESA-N 302.265 -0.042 30 20 DBED Cc1cc(C#N)nc(N[C@@H]2C[C@@H](C)N(C(=O)CNC(N)=O)C2)n1 1123145922 HWNOUIBJVPEHOE-MWLCHTKSSA-N 317.353 -0.274 30 20 DBED Cc1nc[nH]c1C(=O)N(C)C[C@H](O)CNc1ccc(C#N)nn1 1124399674 WEQHGOTZRVFBFI-LLVKDONJSA-N 315.337 -0.075 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)Cc1ccn(C)n1 1126976425 XPARHGMBJUYYLC-UHFFFAOYSA-N 319.409 -0.131 30 20 DBED C#CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H](C)NC(C)=O)C1 1128653328 XFWMJFCSOZRGDS-BNOWGMLFSA-N 318.381 -0.833 30 20 DBED CC#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)CC2(O)CCC2)C1 1128989220 MYXYKZGHZOWHII-KGLIPLIRSA-N 317.393 -0.052 30 20 DBED C=CCn1cccc1C(=O)NCCNCC(=O)NC(=O)NC 1129513202 ABYSTCXUYHPBSZ-UHFFFAOYSA-N 307.354 -0.551 30 20 DBED C=CCNC(=O)CNCCNC(=O)COCc1ncc(C)o1 1131165072 HIJSDVQRAZFGPH-UHFFFAOYSA-N 310.354 -0.492 30 20 DBED CC#CCN1C[C@@H](NC(=O)CCS(=O)(=O)NC)CC[C@@H]1C 1132037942 LDNOIAKEVUOLFF-STQMWFEESA-N 315.439 -0.082 30 20 DBED N#CCNC(=O)CNCCNC(=O)[C@@H]1Cc2ccncc2C1 1133877490 ZSYOYHALVPKMNO-GFCCVEGCSA-N 301.350 -0.858 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1ccc(C)nc1O 1134365412 MFYQLJUSZZMGOK-NSHDSACASA-N 304.350 -0.447 30 20 DBED C#CCN[C@@H](C)C[C@H](C)NC(=O)Cn1ccc(=O)n(C)c1=O 1134539802 FJKLBIXHDNECAK-RYUDHWBXSA-N 306.366 -0.947 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)NCCN[C@@H](C)C(=O)NC1CC1 1134821136 LDQVYLJGZOHYEB-SMDDNHRTSA-N 324.425 -0.170 30 20 DBED C=CCN(CC=C)C(=O)CN[C@@H](C)C[C@@H](C)NC(=O)C(N)=O 1135353167 CTRUTTYOWHZEDP-NWDGAFQWSA-N 310.398 -0.455 30 20 DBED Cc1nc2cccc(C(=O)NCCNCC(=O)NCC#N)c2[nH]1 1146699278 DBCGBDQPPCYESP-UHFFFAOYSA-N 314.349 -0.170 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)[C@@H]1CCCOC1)C2 1147200271 DEDLFDBCNMNFEK-CQSZACIVSA-N 319.405 -0.303 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)[C@@H](OC)C1CC1)C2 1147445848 LYRCYVBYSYAWFL-HNNXBMFYSA-N 319.405 -0.305 30 20 DBED C=CCOCCN1CCC2(C1)CN(C(=O)[C@@H]1COC(=O)N1)C2 1147455090 CBVVVWPXNCZGCM-LBPRGKRZSA-N 309.366 -0.168 30 20 DBED COCC#CCN1CCC2(C1)CN(C(=O)Cc1n[nH]c(C)n1)C2 1147498783 JMZOQTBURACYPO-UHFFFAOYSA-N 317.393 -0.160 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCC2(CN(C(=O)c3nc[nH]n3)C2)C1 1148462552 GBABNGCDNADWLF-LLVKDONJSA-N 318.381 -0.357 30 20 DBED CC(C)C(=O)N(C)CC(=O)NC[C@@H]1CN(CC#N)CCCO1 1149803796 CWRTXXUWGLSUBC-CYBMUJFWSA-N 310.398 -0.169 30 20 DBED CC(C)N1CCC[C@H]1C(=O)NCCCNCC(=O)NCC#N 1157886534 IMHWNOWHMBCCIP-ZDUSSCGKSA-N 309.414 -0.405 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCCNCc1cnnn1C 1160197730 DSJRDNLKNKMOGM-AWEZNQCLSA-N 304.398 -0.491 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)C[C@H]1CCN(C)C1=O 1160592244 OHNRNNAXJBERLO-QWHCGFSZSA-N 322.409 -0.911 30 20 DBED COCC#CCN1CC=C(CCNC(=O)[C@H]2CCNC2=O)CC1 1160875229 GTEKVZKOECLSMM-OAHLLOKOSA-N 319.405 -0.089 30 20 DBED CCC(=O)NCC(=O)NCCC1(CNCC(=O)NCC#N)CC1 1163824899 XTYJNYXKAYLJNA-UHFFFAOYSA-N 323.397 -0.972 30 20 DBED C=CCNC(=O)NC(=O)CNCCCNC(=O)c1ccncn1 1168804238 IAFLAAVZTAJWOY-UHFFFAOYSA-N 320.353 -0.802 30 20 DBED CNC(=O)NC(=O)CNCCCC[C@H](C)NC(=O)[C@H](C)C#N 1169848062 MWAKGMSJVTZYMM-MNOVXSKESA-N 311.386 -0.134 30 20 DBED CC#CCN1CCO[C@@H]2CCN(C(=O)CCCC(N)=O)C[C@H]21 1177162600 MQXHIOWFXDJJBU-ZIAGYGMSSA-N 307.394 -0.033 30 20 DBED C#CCCNCCCCCCNC(=O)Cn1ncn(C)c1=O 1178895028 SPXSUTFAIOXKHG-UHFFFAOYSA-N 307.398 -0.129 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2[nH]nnc2C)[C@H]1C 1179285470 VOSLIEVPLOATSZ-QWRGUYRKSA-N 304.354 -0.945 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2ncn(C)n2)C1 1182330024 XMABZZBLTGMXHO-WDEREUQCSA-N 306.370 -0.690 30 20 DBED C#CCNC[C@@H]1CCN(C(=O)Cn2ncn(C)c2=O)C[C@@H]1C 1184682493 DTMMPXCKOSEJHH-STQMWFEESA-N 305.382 -0.711 30 20 DBED C=C(C)CN(CC)C(=O)CN1C[C@@H]2CCN(C(=O)C(N)=O)[C@@H]2C1 1188985588 MOXFKBDUOIYYBS-QWHCGFSZSA-N 322.409 -0.571 30 20 DBED CC#CCN(C)[C@@H]1CCN(C(=O)[C@H](C)NS(=O)(=O)CC)C1 1190277989 DEXPIGPHYGIOKG-QWHCGFSZSA-N 315.439 -0.130 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C2C(C)(C)C2(C)C)C1 1192021683 GASUPUQCDXQZQU-VXGBXAGGSA-N 321.421 -0.421 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H](F)C(C)C)C1 1195422778 LAUDGMZZEFUWJD-WZRBSPASSA-N 301.362 -0.556 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)C(C)(C)CC)C1 1195753532 NTHRWRNPINTPEB-YNEHKIRRSA-N 309.410 -0.278 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)CNC(=O)c2ccco2)C1 1198366114 BDQYESMFSWKYHU-VXGBXAGGSA-N 305.334 -0.806 30 20 DBED C=CCCNC1CCN(C(=O)[C@@H](CCC(N)=O)NC(C)=O)CC1 1202961180 IBWLOYNRMMYCDA-CQSZACIVSA-N 324.425 -0.087 30 20 DBED CCS(=O)(=O)NCC(=O)N[C@H]1C[C@@H](NCC#N)C12CCC2 1202996642 SFUMBDZZQFPRDA-MNOVXSKESA-N 314.411 -0.534 30 20 DBED C#CCNC(=O)CN[C@@H]1C[C@@H](NC(=O)c2cnn[nH]2)C12CCC2 1203116208 YGGGMYAOAFIOOQ-VXGBXAGGSA-N 316.365 -0.815 30 20 DBED C#CCNC(=O)[C@H](C)NCC1CCN(C(=O)COCC)CC1 1204363658 CTWMQEHBTSWRHK-ZDUSSCGKSA-N 309.410 -0.011 30 20 DBED Cn1nnnc1CN[C@H]1CCCN(C(=O)CSCC#N)C1 1207409347 DBFBBFZRZMANSG-JTQLQIEISA-N 309.399 -0.453 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)c2cnn(CC)c2)C1 1207701762 QKQIMRRZXDSVGL-CQSZACIVSA-N 317.393 -0.153 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)CC(=O)N(C)C)C1 1210027347 AUUREOMMXZVINZ-CHWSQXEVSA-N 322.409 -0.817 30 20 DBED CO[C@@H]1CN(CC(=O)N2CCCC2)C[C@H]1NC(=O)C#CC1CC1 1212244110 FAMXSOKPBWPGRC-HUUCEWRRSA-N 319.405 -0.162 30 20 DBED COCC#CCN1C[C@@H](NC(=O)c2[nH]cnc2C)[C@H](OC)C1 1213995155 RZVUUFXNFNGAFJ-CHWSQXEVSA-N 306.366 -0.203 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CC1(C)C 1217648790 BQTNOHBBKZLRGH-HZSPNIEDSA-N 319.405 -0.307 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)[C@@H](C)OCC(C)C)C1 1219288893 DOGNOAKFTSACMB-KFWWJZLASA-N 312.410 -0.141 30 20 DBED C=CCOCC(=O)N[C@@H]1CN([C@H](C)c2nc(C)no2)C[C@@H]1O 1219366119 RRGSAOGWCVZSJM-JLLWLGSASA-N 310.354 -0.197 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)Cc2cc(C)[nH]n2)C1 1219439000 DSDBTUSNGZBEKX-KGLIPLIRSA-N 308.382 -0.375 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)c2nccc(C)n2)C1 1219530709 IFUHIAQJRGKAPO-OLZOCXBDSA-N 306.366 -0.237 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2cc(C)ncn2)C[C@@H]1O 1219605525 VFLMEGIPGNAXBU-YUELXQCFSA-N 318.377 -0.515 30 20 DBED N#CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3ncc[nH]3)[C@@H]2C1 1221526235 CKDATXYSHCVMDW-GHMZBOCLSA-N 302.338 -0.804 30 20 DBED C#CCN1CCC(CNC(=O)COCc2ncnn2C)CC1 1225046176 GBCICCPIYLHUQZ-UHFFFAOYSA-N 305.382 -0.207 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)c2ccc(O)nn2)CC1 1225897359 LBWWMARWTBHPCF-UHFFFAOYSA-N 317.349 -0.874 30 20 DBED CCO[C@H](C)C(=O)NCC[C@H]1CN(CC#N)CCS1(=O)=O 1230425703 QPAHSUZINYOHRI-NEPJUHHUSA-N 317.411 -0.460 30 20 DBED C=CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCNC(C)=O 1262929072 BJFVISTYKHBNFO-NSHDSACASA-N 306.370 -0.013 30 20 DBED C#CCNC(=O)C1CCN([C@H]2CS(=O)(=O)C[C@H]2OC)CC1 1307719473 NAJRCXMDUNXVDG-QWHCGFSZSA-N 314.407 -0.740 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)Nc1cccnc1-n1cncn1 1320427075 BIRGORCJUNZZFO-SNVBAGLBSA-N 316.321 -0.082 30 20 DBED N#CCNC(=O)CNC(=O)C1CCC(NC(=O)C2CC2)CC1 1322594337 AGAODWGVMXIVOR-UHFFFAOYSA-N 306.366 -0.173 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1323584643 HWWKWRMKTBUFKR-GMTAPVOTSA-N 320.411 -0.416 30 20 DBED COCCN1CC[C@H](NC(=O)C(=O)N2CCC[C@](C)(C#N)C2)C1 1324420259 PRQMPHWRHMORBH-XJKSGUPXSA-N 322.409 -0.024 30 20 DBED CCNC(=O)CN1CCCN(C(=O)[C@H](N)CCCC#N)CC1 1325761704 AFTAQGMVUIERGZ-CYBMUJFWSA-N 309.414 -0.322 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2Cc3cnn(C)c3C2)C1=O 1328728204 ZLWLYMVFEYPPAM-UHFFFAOYSA-N 317.305 -0.761 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCC[C@H]1C1OCCO1)[C@@H]1CCCO1 1334905431 AUURQVBTZPVNEJ-AVGNSLFASA-N 322.361 -0.353 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N2CCCOCC2)CCN1C1CC1 1335547420 AUEZVBCKJBIXOP-CYBMUJFWSA-N 306.366 -0.566 30 20 DBED N#Cc1ccc(CNC(=O)C(=O)NCCCn2cncn2)cc1 1336100182 LYONPCYPQOXVSR-UHFFFAOYSA-N 312.333 -0.028 30 20 DBED C=C[C@@H](O)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1CO 1339385787 DEIGWHPSPRROJT-WDEREUQCSA-N 300.355 -0.027 30 20 DBED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)NCC(=O)NOCC 1346390318 YAWHFJMFFIHWPJ-ZYHUDNBSSA-N 313.354 -0.732 30 20 DBED CC#CC[C@@H](CO)NC(=O)C1CCN(S(=O)(=O)NC)CC1 1349458172 RIUAGXBAPOPLJX-LBPRGKRZSA-N 317.411 -0.947 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCC(NC(=O)OC)CC1 1350767839 OATGKFFLVNXKNY-UHFFFAOYSA-N 311.338 -0.901 30 20 DBED CC(C)CC[C@H](CO)NC(=O)Cn1cc(C#N)c(O)nc1=O 1362669522 FETPQLZXKRZUAZ-LLVKDONJSA-N 308.338 -0.266 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NCC(=O)N2CCO[C@H](C)C2)CC1 1367987223 AJITYVFWKSFWQN-NWDGAFQWSA-N 308.382 -0.368 30 20 DBED N#Cc1ccc(CNC[C@H](O)CNC(=O)[C@H]2COCCO2)cc1 1374585916 KWXRRVAOLKMBRW-LSDHHAIUSA-N 319.361 -0.460 30 20 DBED CC(C)[C@@H](CNC(=O)CNC(=O)C1CC1)NC(=O)[C@@H](C)C#N 1375960442 UIFMCIVQNYIUGV-CMPLNLGQSA-N 308.382 -0.071 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CN(C)C(=O)CCCn1cccn1 1384227799 WQTJWXBVFULRAG-STQMWFEESA-N 321.381 -0.242 30 20 DBED COCCN(CCNC(=O)[C@@H](C)C#N)C(=O)C1=COCCO1 1384410246 LNZDVDICFXWMNW-NSHDSACASA-N 311.338 -0.375 30 20 DBED CC(C)CS(=O)(=O)CC(=O)N[C@H](C)CNC(=O)[C@@H](C)C#N 1387084658 HTWKPBCDFKNABE-WDEREUQCSA-N 317.411 -0.162 30 20 DBED COC[C@@H](OC)C(=O)NCC1(NC(=O)c2cc(C#N)c[nH]2)CC1 1389960241 KRSKGMHBZFFGDQ-GFCCVEGCSA-N 320.349 -0.074 30 20 DBED C[C@@H](CNC(=O)c1ccc(C#N)[nH]1)NC(=O)[C@H]1CCC(=O)N1C 1393021113 QQXSGZAYGGGNKJ-JOYOIKCWSA-N 317.349 -0.258 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1ccnc(N(C)C)c1 1399871106 NPTGEGSVGBLQEX-PWSUYJOCSA-N 319.365 -0.486 30 20 DBED CCn1ncnc1CNCC1(O)CCN(C(=O)[C@H](C)C#N)CC1 1402793758 DOJDHNHWQMULSI-GFCCVEGCSA-N 320.397 -0.099 30 20 DBED CCC[C@@]1(CO)CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)C1 1412187810 KMAHPLKUKZOPSE-OAHLLOKOSA-N 320.349 -0.168 30 20 DBED C[C@H](CNC(=O)[C@H]1CCC(=O)NC1)NC(=O)c1cc(C#N)c[nH]1 1415206980 YTBDGQKSGWYWQB-KOLCDFICSA-N 317.349 -0.353 30 20 DBED COCCN(CCNC(=O)[C@@H](C)C#N)C(=O)c1cnn(C)c1 1428423004 JYBMCBBSAJLCJZ-NSHDSACASA-N 307.354 -0.215 30 20 DBED C=C(Cl)CNC[C@@H](O)CNC(=O)[C@@H]1CN(CC)CCO1 1439062984 UMZMPQHHKKFTHU-NEPJUHHUSA-N 305.806 -0.474 30 20 DBED COC(=O)[C@](C)(CO)NS(=O)(=O)c1ccc(C#N)s1 1475376780 IBCGDHDQRQTGDB-JTQLQIEISA-N 304.349 -0.178 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)[C@@H]2CCC(=O)N2)CCCC1 1499514082 WIKJVALSIRAJAJ-QWRGUYRKSA-N 306.366 -0.030 30 20 DBED COC(=O)[C@H]1CN(C(=O)c2cnccc2C#N)C[C@@H]1C(=O)O 1571080698 ZYTXWUIQUGCLIS-QWRGUYRKSA-N 303.274 -0.101 30 20 DBED N#C[C@@H]1CN(C[C@H](O)CC2(O)CCC(C(=O)O)CC2)CCO1 1574242871 ZOAFBTIYOGRZJB-DNCHLWJUSA-N 312.366 -0.032 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](C)CNC(=O)CCOCc1cnn[nH]1 1575589326 TVWKMTOBHKDEDL-MNOVXSKESA-N 322.369 -0.260 30 20 DBED C#CC[C@@H](NC(=O)c1cc(S(N)(=O)=O)oc1Cl)C(=O)O 1588413758 HMDWGUXHIYDLBX-ZCFIWIBFSA-N 320.710 -0.213 30 20 DBED C=CCCC(=O)NC[C@H](C)N=c1cc[nH]c(-c2nn[nH]n2)n1 1588571742 ZYIRWKDGUZSHCS-VIFPVBQESA-N 302.342 -0.039 30 20 DBED C=C[C@H](CO)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1F 1588731512 ZALMFBJKRAGITD-MRVPVSSYSA-N 313.314 -0.169 30 20 DBED C=CCOCCCn1nnnc1N1CC[C@@](OC)(C(=O)O)C1 1588869033 MMESCEYUXKHYJY-ZDUSSCGKSA-N 311.342 -0.054 30 20 DBED CN(CCC#N)S(=O)(=O)NCC1(CC(=O)O)CCOCC1 1598468954 OAAQQUNZHUJDDY-UHFFFAOYSA-N 319.383 -0.062 30 20 DBED C=C[C@@H](O)C(=O)OCC(=O)Nc1ccc(-c2nn[nH]n2)cc1 1602802699 AGSVXAWGJOPENO-SNVBAGLBSA-N 303.278 -0.105 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN([C@]2(C(=O)O)CCOC2)CC1 1602901347 GFGIYFPLYXASNK-IUODEOHRSA-N 311.382 -0.462 30 20 DBED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NCC(=O)O)n1 1611304921 WRLRNFRDZKHXTF-UHFFFAOYSA-N 314.261 -0.722 30 20 DBED Cn1c(C#N)ccc1-c1nnc(N2CCO[C@@H](C(N)=O)C2)n1C 1649244474 HFIBRKRFZGFFTK-LLVKDONJSA-N 315.337 -0.617 30 20 DBED CS(=O)(=O)NCCN[C@H](CNC(=O)C#CC1CC1)C1CC1 1752463392 KYWCKRXOYVQCIO-CYBMUJFWSA-N 313.423 -0.567 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1C[C@@H](NC(=O)c2cc(C)on2)C1 1752714075 ZVNBISBHKDFVFP-SDDRHHMPSA-N 304.350 -0.029 30 20 DBED C#CCNC(=O)CN1CCC[C@H](CNC(=O)[C@@]2(C)CCOC2)C1 1752788455 JZUUPHDVNNLXQQ-PBHICJAKSA-N 321.421 -0.009 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@H](CNCC(=O)NCCC)C1 1752939538 ULFFBSGEVRQAQU-ZIAGYGMSSA-N 309.410 -0.011 30 20 DBED C=CCNC(=O)CNC[C@H](C)N(C)C(=O)C[C@@H]1CCC(=O)N1 1753715669 BPEIQHYSAJXSMW-RYUDHWBXSA-N 310.398 -0.606 30 20 DBED CC#CCN[C@@H]1CCN(C(=O)Cn2ccc(O)nc2=O)C[C@@H]1C 1753756390 DFERGBNKAIAGGQ-QWHCGFSZSA-N 318.377 -0.201 30 20 DBED C=CCNC(=O)CN1CC[C@H]1CNC(=O)C[C@@H]1CCCC(=O)N1 1754489474 YHGTZAHRGFMPPQ-STQMWFEESA-N 322.409 -0.462 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@@H]1CCCN1C(=O)c1cnsn1 1754606582 VZVLNSXTBKUGEW-MNOVXSKESA-N 321.406 -0.130 30 20 DBED CC#CCN1CC[C@@](O)(CNC(=O)c2cn(C)c(C)cc2=O)C1 1754753080 ACMKKSOZSKIYTB-QGZVFWFLSA-N 317.389 -0.116 30 20 DBED C#CCNC(=O)CN1CC(O)(CNC(=O)[C@@H]2CCC[C@H]3C[C@@H]32)C1 1754769517 CLQZKIKCMGMGSZ-MJBXVCDLSA-N 319.405 -0.665 30 20 DBED C#CCNC(=O)CN[C@H]1CN(C(=O)CCCC(C)=O)C[C@H]1C 1755102919 DAFKWTRWIIWTJJ-OCCSQVGLSA-N 307.394 -0.068 30 20 DBED C#CCCN1CCC(CO)(NC(=O)c2cc[n+]([O-])cc2)CC1 1755176799 TZOUEHUBSLFBET-UHFFFAOYSA-N 303.362 -0.100 30 20 DBED C#CCNC(=O)CN[C@H](C)[C@H](C)NC(=O)c1cnnn1CC 1755234109 LRAJADITEAYAFE-MNOVXSKESA-N 306.370 -0.856 30 20 DBED CCc1noc(COCC(=O)NC[C@H]2[C@@H]3CN(CC#N)C[C@H]23)n1 1755433301 CMJFCSSVSXQGAZ-CNDDSTCGSA-N 319.365 -0.034 30 20 DBED C#CCN[C@@H](C)[C@@H]1CN(C(=O)CCN2C(=O)CCC2=O)CCO1 1755443081 AMNLHPYOVJJRGP-STQMWFEESA-N 321.377 -0.636 30 20 DBED COCC#CCN[C@H](CO)CNC(=O)[C@H]1CCc2n[nH]cc2C1 1755643156 FZOCYRZNAIFZKH-JSGCOSHPSA-N 320.393 -0.769 30 20 DBED C[C@@H]1[C@H](NCc2nnn(C)n2)CCN1C(=O)CSCC#N 1755661181 JBCHPIJHNMCSFY-NXEZZACHSA-N 309.399 -0.454 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2cnns2)[C@H]1C 1755665832 SJLUVKOFBBBZCX-VHSXEESVSA-N 307.379 -0.520 30 20 DBED C=CCNC[C@@H](NC(=O)CNS(=O)(=O)N(C)C)C(C)(C)C 1755833465 JITNEKCUTBLNQL-LLVKDONJSA-N 320.459 -0.311 30 20 DBED C#CCNC(=O)[C@H](C)NC1CC(N(C)C(=O)C2=COCCO2)C1 1755849464 NSDGCILNRCUSAV-HIFPTAJRSA-N 321.377 -0.409 30 20 DBED C=CCCC(=O)NC[C@H]1C[C@H](NC(=O)CN2C(=O)CNC2=O)C1 1756263922 DEULWTGUOCKLAL-XYPYZODXSA-N 322.365 -0.485 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@H](C)CN(C)C(=O)CNC(=O)CC 1756439127 YCFRLUGNIGYVMO-IAQYHMDHSA-N 313.398 -0.197 30 20 DBED C=CCCCC(=O)NC[C@H](CO)NC(=O)C1CN(C(C)=O)C1 1756545300 BOJFGXOCNXGWHV-CYBMUJFWSA-N 311.382 -0.586 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@H](O)CN(C)C(=O)c1ccccn1 1756651604 NEXFNVPTLJHUDH-LRDDRELGSA-N 321.377 -0.042 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1OC 1757128527 AVTCAWSRFZGYEE-YNEHKIRRSA-N 307.350 -0.472 30 20 DBED CC(C)C#CC(=O)N(C)C[C@@H]1CCN1C(=O)[C@@H]1CN(C)C(=O)N1 1757289947 MVDHBCANJCSKSL-STQMWFEESA-N 320.393 -0.271 30 20 DBED COC(=O)C1(O)CCN(S(=O)(=O)N(C)CCC#N)CC1 1771639617 YDULOEFOLZLGHZ-UHFFFAOYSA-N 305.356 -0.923 30 20 DBED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)C1CC1)CCO2 1783568367 VXUMBTDXDFYONK-HNNXBMFYSA-N 306.318 -0.686 30 20 DBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC1CC1)C2 1800776071 UGQQYSMKHIMJGD-DRXBFXEBSA-N 320.345 -0.536 30 20 DBED C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnc(O)nc1O)C2 1801597976 IFMNPXXRHGGMEJ-ILWJIGKKSA-N 316.317 -0.227 30 20 DBED C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](C)NC(=O)C=C)C2 1801599730 MKXZFGLUOWGRSB-FVCCEPFGSA-N 303.362 -0.052 30 20 DBED COCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC(=O)O 1801987063 YPLGVKCZQMMALM-ZSBIGDGJSA-N 308.334 -0.251 30 20 DBED NCC(=O)N1CCCC2(CCN(C(=O)C#CC(=O)O)CC2)C1 1809673058 ZYNWAQNXCXTAFK-UHFFFAOYSA-N 307.350 -0.736 30 20 DBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccon3)C2)C1 1839807053 RSZQFWOPDQOMRM-HNNXBMFYSA-N 319.317 -0.622 30 20 DBED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)C2=COCC2)C1 1846710373 OGMLWRZFVSWOLN-UHFFFAOYSA-N 304.302 -0.418 30 20 DBED CCc1nc2n(n1)C[C@H](NS(=O)(=O)N(C)CCC#N)CC2 114874262 JTAMPCUSEZKPBV-SNVBAGLBSA-N 312.399 -0.165 30 20 DBED CC/N=C(/NCCNS(C)(=O)=O)N1CC[C@]2(CCOC2)C1 179196409 PDGZWGFUJJIUGG-ZDUSSCGKSA-N 318.443 -0.387 30 20 DBED N#Cc1cc(F)c(S(=O)(=O)N(CCO)CCO)c(F)c1 181404426 DOGSCPZNVCWDNI-UHFFFAOYSA-N 306.290 -0.188 30 20 DBED C/N=C(/NCc1cnc(N(C)C)n1C)N1CCO[C@@H](COC)C1 261997075 SYTPNQLGDXATGH-CYBMUJFWSA-N 324.429 -0.091 30 20 DBED C/N=C(/NCCCc1cnn(C)c1)NCCN1CCOCC1 264975437 HUCAKDQBEHHVRX-UHFFFAOYSA-N 308.430 -0.150 30 20 DBED N#Cc1ccccc1S(=O)(=O)NCCN1C(=O)CCC1=O 269697690 ZIMCOFSMNWRYFA-UHFFFAOYSA-N 307.331 -0.014 30 20 DBED C#CCN(C(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)C1CC1 274018835 BKIBZVOYDWIMGX-WCQYABFASA-N 324.402 -0.354 30 20 DBED C#C[C@@H](C)NC(=O)NCCS(=O)(=O)N1CCSCC1 274751229 FIQFJIRZJGDMSZ-SNVBAGLBSA-N 305.425 -0.314 30 20 DBED CN(C)C(=O)COc1cccc(N=C(O)N2C[C@H](O)[C@@H](O)C2)c1 331222863 WCHXWLNJLJYCAI-STQMWFEESA-N 323.349 -0.264 30 20 DBED COC[C@H](C)/N=C(/O)NC(=O)CN1CCN(C)C(=O)C1(C)C 331311943 ACUSMAGCNKQSHV-JTQLQIEISA-N 314.386 -0.396 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@@H](CO)[C@@H]1CCOC1 337166051 ZFEUOJYYUWWZMQ-UPJWGTAASA-N 319.427 -0.053 30 20 DBED C[C@@H]1CS(=O)(=O)C[C@H]1NS(=O)(=O)N(C)[C@H](C)CC#N 341932905 CIVHDXNWEJXSLB-OPRDCNLKSA-N 309.413 -0.512 30 20 DBED C[C@@H](C#N)CN(C)CC(=O)NCCCN(C)S(C)(=O)=O 353435004 LCSDHEJVJSCBQD-NSHDSACASA-N 304.416 -0.524 30 20 DBED C=C[C@H](CO)NC(=O)CCC(=O)Nc1ccc2nc(O)[nH]c2n1 356858856 UVSRQQBLSZICCS-MRVPVSSYSA-N 319.321 0.045 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCO[C@H]2CC)C1=O 422502937 LQHBBBSWJVSAAE-AGIUHOORSA-N 323.393 -0.085 30 20 DBED CC[C@@H]1CN(CCNS(=O)(=O)N(C)CCC#N)CCO1 487368409 UAOOBEFUJZLMQE-GFCCVEGCSA-N 304.416 -0.223 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)C[C@@](C)(O)C=C)CC1 491040426 UCYVWPHTXWZXKU-INIZCTEOSA-N 307.394 -0.403 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)CCc2ccncc2)CC1 491127750 XPDGQADXJZNSDE-UHFFFAOYSA-N 314.389 -0.092 30 20 DBED C#CCNC(=O)CN1CCN(Cc2ncnn2C(C)C)CC1 491461712 FPECYZSYGOXGSF-UHFFFAOYSA-N 304.398 -0.274 30 20 DBED C#C[C@H](CC)NC(=O)NCCNS(=O)(=O)Cc1ccon1 491543760 IGSAJVLJZSEQQI-SNVBAGLBSA-N 314.367 -0.195 30 20 DBED COC(=O)CN(C1CCOCC1)S(=O)(=O)N(C)CCC#N 525739068 CYLZVGJUPXXWAB-UHFFFAOYSA-N 319.383 -0.269 30 20 DBED COc1cc(C#N)ccc1S(=O)(=O)N1C[C@@H](CO)[C@@H](O)C1 575002456 LHPBUEKVFPLUIQ-QWRGUYRKSA-N 312.347 -0.459 30 20 DBED CC(C)C(=O)N[C@@H](CO)C(=O)N1CCN([C@H](C#N)C(C)C)CC1 589835168 VOGVIQWYHKPTEQ-UONOGXRCSA-N 324.425 -0.188 30 20 DBED COC(=O)C[C@@H](O)CNS(=O)(=O)c1ccc(F)cc1C#N 599461876 JGUAUZTWTJGBOA-SNVBAGLBSA-N 316.310 -0.100 30 20 DBED C=CCCS(=O)(=O)NC[C@@H]1CCC[C@]12NC(=O)NC2=O 675756584 XVIKJJDNLBXZBI-CABZTGNLSA-N 301.368 -0.140 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCC[C@]12NC(=O)NC2=O 744627759 ZDAJRLAEAKGTGQ-MKBNYLNASA-N 318.377 -0.422 30 20 DBED CC#CCCOC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 760290354 YHRPLGVGEAWPCT-UHFFFAOYSA-N 304.306 -0.610 30 20 DBED N#CC1(CS(=O)(=O)NC(=O)Cn2cc([N+](=O)[O-])cn2)CC1 793196587 XSZBOCJUNFSCQP-UHFFFAOYSA-N 313.295 -0.459 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)NC[C@@H]2CSCCS2)CCO1 800074241 GUZMQAGCIGLLBC-NXEZZACHSA-N 323.465 -0.106 30 20 DBED N#CCNC(=O)CNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 804821329 MAKLBUDNJQQJOL-UHFFFAOYSA-N 316.277 -0.300 30 20 DBED C=CCNC(=O)COC(=O)c1nnn(-c2ccn(C)n2)c1C 814576284 SPWARAIQCNKXGB-UHFFFAOYSA-N 304.310 -0.232 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(S(C)(=O)=O)C1 816815437 VILNDMDBCCOXEY-OLZOCXBDSA-N 313.423 -0.424 30 20 DBED CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)C#CC(C)C 820704532 MIAYZITVVOGDTH-GFCCVEGCSA-N 314.407 -0.202 30 20 DBED C=CCCn1cc(C(=O)OCCN2C(=O)N[C@@H](C)C2=O)nn1 820966872 XZBBUNBNNVQVIE-VIFPVBQESA-N 307.310 -0.049 30 20 DBED CNS(=O)(=O)c1csc(C(=O)N(CC#N)CC(=O)O)c1 831042534 WVZFUVJXWURPKZ-UHFFFAOYSA-N 317.348 -0.293 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(C)[nH]c2C)CC1 831556777 UBAMBLHFASKLSX-UHFFFAOYSA-N 324.406 -0.143 30 20 DBED N#Cc1cccnc1NCCNC(=O)[C@@H]1CCS(=O)(=O)N1 845286044 MELKYLYXJNEOBS-JTQLQIEISA-N 309.351 -0.827 30 20 DBED C#CCNC(=O)[C@@H](C)OC(=O)c1oc(S(N)(=O)=O)cc1C 850252743 GNHFDYGDCNIMFU-MRVPVSSYSA-N 314.319 -0.470 30 20 DBED CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)C#CC2CCNCC2)O1 852887728 DHLLRPDRDOHMGF-KBPBESRZSA-N 307.394 -0.259 30 20 DBED C#CC[C@@H](NC(=O)c1oc(S(N)(=O)=O)cc1C)C(=O)OC 854910038 MVCQDORNBGGZHF-MRVPVSSYSA-N 314.319 -0.470 30 20 DBED N#CCCN(CCN1CCOCC1)C(=O)[C@@H]1CCOC(=O)N1 858945671 NMAANCLCBATNMJ-LBPRGKRZSA-N 310.354 -0.441 30 20 DBED C#CC[C@@H](COC)NC(=O)CNS(=O)(=O)CCOCC 863800316 BXVDYSYJOGRUGX-NSHDSACASA-N 306.384 -0.903 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)C[C@@H]2CCN(C)C2)CC1 874342844 LTNXNVGZQPGOLY-AWEZNQCLSA-N 306.410 -0.778 30 20 DBED COC(=O)Cn1cc(CN2CCN(C3CC3)[C@@H](C#N)C2)nn1 877662351 POQSCANJEPAGBQ-ZDUSSCGKSA-N 304.354 -0.377 30 20 DBED C#CCN1CCC[C@H](NC(=O)N[C@H]2CCCS(=O)(=O)C2)C1 888748152 MSSFIHAKSIQNQA-STQMWFEESA-N 313.423 -0.040 30 20 DBED CCOc1ccc(N2CCN(C(=O)NCC#CCO)CC2)nn1 923763011 SIGAETCXWKUNGQ-UHFFFAOYSA-N 319.365 -0.297 30 20 DBED C#CCCN1CC[C@H](NC(=O)CN2CC(=O)NC2=O)[C@H](C)C1 943676824 WDJXWTNKRGYSNX-NEPJUHHUSA-N 306.366 -0.612 30 20 DBED C=CC(C)(C)C(=O)N1CCO[C@H](CNC(=O)c2nnn(C)n2)C1 944729344 ZVZVIZPUVYILMV-SNVBAGLBSA-N 322.369 -0.621 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@@H]2CCC[C@@H]2NC(=O)C(N)=O)c1 946294853 TVNLIUQJHPCXHU-UWVGGRQHSA-N 303.322 -0.614 30 20 DBED C=CCN1CCC2(CC1)CN(C(=O)c1nnn(C)n1)CCO2 949162207 OZIDMEQHTJXMPG-UHFFFAOYSA-N 306.370 -0.297 30 20 DBED C=C(C)C(C)(C)C(=O)N1CC(N(C)C(=O)[C@@H]2CNC(=O)N2)C1 955154709 DKWXPSWPSRTNNT-NSHDSACASA-N 308.382 -0.061 30 20 DBED C[C@@H](C#N)C(=O)N1CC(N(C)C(=O)[C@@H]2CCCCC(=O)N2)C1 955270490 RQCOMZSAIZERMM-JQWIXIFHSA-N 306.366 -0.126 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@](C)(NC(=O)c2cc(C(N)=O)c[nH]2)C1 957437621 BTYWPCNBKYFXTN-BJOHPYRUSA-N 317.349 -0.006 30 20 DBED C=CCN1C[C@@H](O)[C@@H](CNC(=O)c2nc3ncc(C)cn3n2)C1 958167481 MMAHRAYDXUZHSO-NWDGAFQWSA-N 316.365 -0.359 30 20 DBED CCCc1c(C(=O)NC[C@H]2CN(CC#N)C[C@H]2O)cnn1C 958210472 MWXCOKDJPVPBQP-SMDDNHRTSA-N 305.382 -0.081 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2ccnc3[nH]nnc23)C1 958248883 PYVFVGYSMXVDCW-MWLCHTKSSA-N 300.322 -0.991 30 20 DBED CN(C(=O)c1cnccn1)[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 958455830 OMZAJMXVEBRDCL-KBPBESRZSA-N 314.345 -0.466 30 20 DBED CC#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cccn(C)c2=O)C1 958595004 OADUJKKWFQCBPV-GXTWGEPZSA-N 303.362 -0.569 30 20 DBED CN(C)c1ccc(C(=O)NC[C@@H]2CN(CC#N)C[C@@H]2O)nn1 958598651 LJMYUKCATRZORL-PWSUYJOCSA-N 304.354 -0.911 30 20 DBED Cn1ncnc1CN1C[C@H]2C(NC(=O)c3c[nH]c(C#N)c3)[C@@H]2C1 958618581 UOAPGUWVSUXZQS-VXGBXAGGSA-N 311.349 -0.125 30 20 DBED C#CCN1C[C@H]2C(NC(=O)c3ccnc(-n4cncn4)c3)[C@@H]2C1 963013482 CUFHZECFUSTMON-CHWSQXEVSA-N 308.345 -0.045 30 20 DBED C[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1NC(=O)Cn1cnnn1 966399419 LKXHURQKXMLLRI-JQWIXIFHSA-N 302.338 -0.950 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)C1(C(N)=O)CC1 969787385 JDFRCXGFKFJBIK-GARJFASQSA-N 304.350 -0.387 30 20 DBED C#Cc1cncc(C(=O)N[C@H]2C[C@@H](NC(=O)c3ncn(C)n3)C2)c1 974094903 IOLWVFCHCFNKKN-BETUJISGSA-N 324.344 -0.118 30 20 DBED C[C@@H](C#N)C(=O)N1CCCN(C[C@H](O)Cn2cccn2)CC1 980840161 UPDDXASOMWYUDB-KBPBESRZSA-N 305.382 -0.062 30 20 DBED C[C@@H]1C[C@H](NCc2nnnn2C)CN1C(=O)c1c[nH]c(C#N)c1 988609974 FDOPGRAQVKLLPI-SKDRFNHKSA-N 314.353 -0.197 30 20 DBED C=C(C)CN[C@@H]1C[C@H](C)N(C(=O)Cn2cnc(C(N)=O)n2)C1 988850866 APIXBQWCWMWEBH-WDEREUQCSA-N 306.370 -0.468 30 20 DBED C#CCN[C@H]1C[C@H](C)N(C(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 989272175 LTYZYLWEZPWDSC-ONGXEEELSA-N 314.353 -0.480 30 20 DBED C#CCCN1CC[C@]2(NC(=O)C[C@@H]3NC(=O)NC3=O)CCC[C@@H]12 991100106 MMJXASPSQYNUGQ-HWWQOWPSSA-N 318.377 -0.279 30 20 DBED C#Cc1ccc(C(=O)N2CC(NC(=O)Cc3n[nH]c(C)n3)C2)nc1 991273634 PYGNXWKIZWRCFE-UHFFFAOYSA-N 324.344 -0.327 30 20 DBED C=CCCn1cc(C(=O)NC2CN(C(=O)c3cnon3)C2)nn1 991994182 CIRGMZVXLQVXJR-UHFFFAOYSA-N 317.309 -0.508 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@@H](C)N2C(=O)CCC2=O)CC1(C)C 995883540 UKTDVGDQVLQPFC-VXGBXAGGSA-N 305.378 -0.016 30 20 DBED C#CCN[C@@H]1CN(C(=O)C2CC3(C2)NC(=O)NC3=O)CC1(C)C 996404203 BKZSSYXDJITMLP-NOEPWBJOSA-N 318.377 -0.566 30 20 DBED O=C(NC1CN(C(=O)C#CC2CC2)C1)c1nc2ncccn2n1 998210466 ITQMARBLOZIBMZ-UHFFFAOYSA-N 310.317 -0.522 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CCN([C@@H](CC)C(N)=O)CC1 1003055469 IBRRSNYKSNFCCB-GJZGRUSLSA-N 320.437 -0.072 30 20 DBED NC(=O)c1ccc(C(=O)NCC2CN(C(=O)C#CC3CC3)C2)o1 1003403215 MBHFDMFUPDEWAN-UHFFFAOYSA-N 315.329 -0.020 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2C(NC(=O)Cc3ccn(C)n3)[C@H]2C1 1013073609 FATXBSJAFPESNR-USWWRNFRSA-N 301.350 -0.305 30 20 DBED C=C[C@](C)(CC)C(=O)N1C[C@@H]2C(NC(=O)Cn3ncnn3)[C@H]2C1 1013151633 ZOJZELGQCPHWRZ-ZIBATOQPSA-N 318.381 -0.152 30 20 DBED CCn1cc(C(=O)NC2[C@H]3CN(C(=O)C#CC4CC4)C[C@H]23)nn1 1013701701 YEFGIXWUGREZDU-RYUDHWBXSA-N 313.361 -0.102 30 20 DBED C=CCCn1cc(C(=O)N[C@@H]2CCN([C@@H](CC)C(N)=O)C2)nn1 1015820473 HKOXQYUTAQWJRF-YPMHNXCESA-N 320.397 -0.078 30 20 DBED C#Cc1cncc(C(=O)N2CC[C@H](NCc3nc(O)n[nH]3)C2)c1 1019356720 CNIZOAIRABYLES-LBPRGKRZSA-N 312.333 -0.109 30 20 DBED C=CCn1cc(C(=O)N[C@H]2C[C@H](NCc3n[nH]c(C)n3)C2)nn1 1020700313 MVJSBUDNBPXHBI-XYPYZODXSA-N 316.369 -0.059 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCC[C@H](N[C@@H](CC)C(N)=O)C1 1030019198 KINLOUXLNWXSOB-KKUMJFAQSA-N 320.437 -0.072 30 20 DBED CC#CCN1CCO[C@H](CNC(=O)[C@@H]2CCc3nncn3C2)C1 1035610246 VMTBNYQXMZRLTG-ZIAGYGMSSA-N 317.393 -0.319 30 20 DBED C=CCN1CC[C@@H]2CN(C(=O)Cn3ncn(C)c3=O)CC[C@@H]21 1036753684 UVJWACBCFGEEEM-OLZOCXBDSA-N 305.382 -0.309 30 20 DBED C[C@H]1CCN(C(=O)C(N)=O)C[C@@H]1CN=c1cc[nH]c(C#N)n1 1039887651 JHEJRPHFKMPNKD-UWVGGRQHSA-N 302.338 -0.848 30 20 DBED C[C@H]1C[C@@H]1C(=O)NC[C@@]1(O)CCN(C(=O)CSCC#N)C1 1040574700 WDWHRCICDZVZOQ-MJVIPROJSA-N 311.407 -0.021 30 20 DBED C[C@@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)CCc2ncc[nH]2)C1 1040763771 RHQXZSVLTVRAKT-XHDPSFHLSA-N 319.365 -0.418 30 20 DBED C[C@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)CCn2cccn2)C1 1040764835 ZKZDWOKGCMJUFW-DOMZBBRYSA-N 319.365 -0.488 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)c2ncoc2C)C1 1042040011 NMNCXEHGQRRNDT-UHFFFAOYSA-N 309.322 -0.511 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)c2ncccc2F)C1 1042047011 FNHLXVXEZKSSCP-UHFFFAOYSA-N 323.324 -0.274 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]3C=C[C@H]2O3)C1 1042052671 QLJGNRCQBFTZJT-JHJVBQTASA-N 322.361 -0.778 30 20 DBED C#CCCN1CC[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)C[C@@H]21 1042345730 NBIHKBJNBIZQDK-OLZOCXBDSA-N 318.377 -0.516 30 20 DBED C#CCCCCC(=O)NCC1(O)CN(C(=O)[C@@H](C)CC(N)=O)C1 1042661197 OWVHSPWPFGXCLE-LBPRGKRZSA-N 323.393 -0.619 30 20 DBED C=CCN1CC[C@@H](N2CC(N(C)C(=O)[C@@]34COC[C@@H]3C4)C2)C1=O 1042755540 VEXDGYHFXXKZFN-QEORTHHSSA-N 319.405 -0.048 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)C1CN([C@H]2CCN(C)C2=O)C1 1042963598 SFOKSYHGXFJODU-GJZGRUSLSA-N 318.421 -0.543 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)[C@H]2COCCO2)C1 1044483913 CIWCYEIKKCHCLZ-LLVKDONJSA-N 312.366 -0.697 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)CN2CCC[C@@H]2C)C1 1045552178 QKZHNQGLLMCTSP-RYUDHWBXSA-N 308.382 -0.680 30 20 DBED N#CCN1[C@H]2CC[C@H]1CN(C(=O)c1nnc(O)nc1O)CC2 1045809605 LLMVOWFBKFLBGS-IUCAKERBSA-N 304.310 -0.515 30 20 DBED C#CCN1CC[C@H](N2CCN(C(=O)[C@@H]3COCCO3)CC2)C1 1046006266 IICHBSAKMGMVLJ-GJZGRUSLSA-N 307.394 -0.747 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC(O)(CNC(=O)[C@H]3CC34CC4)C2)c1 1047140183 DDBHZVPCZCJALT-LLVKDONJSA-N 314.345 -0.010 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC(=O)N(CC)C2)C1 1047401174 GZKLFCVPKPNMAM-IHRRRGAJSA-N 307.394 -0.618 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3[nH]nnc3c2)C1 1047409148 BRSZGSMXKVTWFY-STQMWFEESA-N 314.349 -0.507 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 1047530232 UTNISLQKSVCRAU-RFGFWPKPSA-N 307.394 -0.763 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCO2)C1 1048166621 MOUPELCEMHZUMO-MELADBBJSA-N 308.378 -0.145 30 20 DBED CC(C)C#CC(=O)N(C)[C@H]1CN(C(=O)[C@@H](C)CC(N)=O)C[C@@H]1O 1048807363 MYQKEMJYIDUTKA-AVGNSLFASA-N 323.393 -0.813 30 20 DBED C#CCCN1CC[C@H]2[C@@H]1CCCN2C(=O)C[C@@H]1NC(=O)NC1=O 1049524838 BPTUEAVRWGZHTK-AVGNSLFASA-N 318.377 -0.327 30 20 DBED C=CCN1CCOC[C@@H]1CNC(=O)[C@@H]1CCc2nnnn2CC1 1051124601 JCEOCFFGLIOFMX-OLZOCXBDSA-N 320.397 -0.371 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2cnnn2C)C[C@@H]1C 1052487970 FAIAGBBGICOMDA-NWDGAFQWSA-N 321.381 -0.158 30 20 DBED CC#CCN1CCC[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)CC1 1052945163 DKPORGSMMSMVKV-QWHCGFSZSA-N 313.423 -0.328 30 20 DBED C#CCN1CC2(C1)CN(C(=O)[C@@H]1CCCN1C(C)=O)CCO2 1053513787 XHIGXIXFOQYJTM-AWEZNQCLSA-N 305.378 -0.456 30 20 DBED C=C(C)CN1CC2(C1)CN(C(=O)C[C@H]1CC(=O)NC1=O)CCO2 1053552236 OHLILMJTFZWRRR-GFCCVEGCSA-N 321.377 -0.472 30 20 DBED C=CCN1CC2(C[C@@H](NC(=O)c3cnc(O)n(C)c3=O)CO2)C1 1053890313 GQWPIESNMOLIOF-SNVBAGLBSA-N 320.349 -0.755 30 20 DBED C=CCN1CC2(C[C@H](NC(=O)CN3CC(=O)N(C)C3=O)CO2)C1 1053981820 VVKHJCLYAQRTMK-NSHDSACASA-N 322.365 -0.974 30 20 DBED CN1CC[C@@H](C(=O)N2CCN(c3ccnc(C#N)n3)CC2)C1=O 1055973301 ATKOMBGZDMMCAE-LLVKDONJSA-N 314.349 -0.525 30 20 DBED N#Cc1ccc(N2CCN(C(=O)c3c[nH]c(=O)cn3)CC2)nc1 1055989828 HNDYPQRWPYNWSS-UHFFFAOYSA-N 310.317 -0.001 30 20 DBED N#Cc1nccnc1N1C[C@@H]2C(NC(=O)c3c[nH]c(=O)cn3)[C@H]2C1 1056388079 AVISKYKFLSGPKE-IUCAKERBSA-N 323.316 -0.704 30 20 DBED C=CCCn1cc(C(=O)NCCN(CCO)C(=O)CC)nn1 1056747873 OLKSVLMUSANWJE-UHFFFAOYSA-N 309.370 -0.185 30 20 DBED Cc1[nH]nc(C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N)c1C 1057237156 AUBDMXQRPLELQS-VIFPVBQESA-N 307.354 -0.263 30 20 DBED N#Cc1cnc(N2CCC[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)cn1 1058239345 JPWZTHKHEBRXPB-JLLWLGSASA-N 314.349 -0.445 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)CCCn1ccnc1 1058661246 RRAZZXYTSQUHJM-CYBMUJFWSA-N 321.381 -0.240 30 20 DBED Cc1cc(C#N)nc(N[C@H]2C[C@H](NC(=O)[C@@H]3CCC(=O)N3)C2)n1 1059268048 VCTNJVLKPAYLEM-NHCYSSNCSA-N 314.349 -0.006 30 20 DBED C=CCCC(=O)N1CCOC[C@@H]1CNC(=O)[C@@]1(C)CNC(=O)C1 1061716448 IZIQIZKGOCBUOR-BLLLJJGKSA-N 323.393 -0.178 30 20 DBED C=CC(C)(C)C(=O)NC[C@@H]1COCCN1C(=O)CNC(C)=O 1061753354 XXHVZWBHPYKILW-GFCCVEGCSA-N 311.382 -0.322 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)[C@@H]1[C@H]2COC[C@H]21 1061851408 NXXZNBPQQTXECZ-FHUSYTEZSA-N 307.350 -0.618 30 20 DBED Cn1nnc(C(=O)N[C@H]2[C@H]3C[C@H]2N(c2ncccc2C#N)C3)n1 1064325003 RNFRKDOJHMTHNQ-AXFHLTTASA-N 310.321 -0.516 30 20 DBED C=CCCC(=O)N1CCO[C@@H](CNC(=O)COCCOC)C1 1064956504 YWHOZEMMDWBZGY-ZDUSSCGKSA-N 314.382 -0.041 30 20 DBED C#CCCCC(=O)N1CCO[C@@H](CNC(=O)c2[nH]nnc2C)C1 1065090447 KXZMMBICHTVUIG-LBPRGKRZSA-N 319.365 -0.126 30 20 DBED C=CCCCC(=O)N1CCO[C@H](CNC(=O)[C@H]2CNC(=O)N2)C1 1065546411 WXYYVEKMLBEWBN-VXGBXAGGSA-N 324.381 -0.632 30 20 DBED CN(C(=O)c1cn[nH]c1)[C@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1065567102 LKDCBXFPKHMANH-RYUDHWBXSA-N 313.321 -0.607 30 20 DBED C#CCNC(=O)CC(=O)N(C)CCCN(C)C(=O)[C@@H]1CCOC1 1066970829 WADGUBLZVNHKDU-CYBMUJFWSA-N 323.393 -0.531 30 20 DBED C=CCOCC(=O)N(C)CCCN(C)C(=O)[C@H]1C[C@H]1C(N)=O 1067001318 UJTJAEFGMYRRPI-NEPJUHHUSA-N 311.382 -0.383 30 20 DBED C[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@@H]1Nc1ccc(C#N)nn1 1067049042 IECSBQQSUDDBCQ-KOLCDFICSA-N 323.378 -0.348 30 20 DBED C[C@H]1[C@H](N=c2cc[nH]cc2C#N)CCN1C(=O)CS(C)(=O)=O 1068774034 IRCOGKGVICFMET-CMPLNLGQSA-N 322.390 -0.179 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1COC2(C1)CN(C(=O)CC(N)=O)C2 1068944600 JCUKPJRBTBFICN-JTQLQIEISA-N 309.366 -0.440 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)c2cn(C)cn2)CCOCC1 1070074288 XGNBQJBBTPLTOC-NSHDSACASA-N 319.365 -0.025 30 20 DBED CC(C)[C@@H](O)C(=O)NC1(CNC(=O)[C@H](C)C#N)CCOCC1 1070099393 PJQLQAWDJXJICC-VXGBXAGGSA-N 311.382 -0.055 30 20 DBED C=CCN[C@@H]1CN(C(=O)[C@]2(F)CCOC2)C[C@@H]1n1ccnn1 1070259539 URUCIMHICNRXHT-DYEKYZERSA-N 309.345 -0.066 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC[C@@H](NC(=O)[C@H]2CCC(=O)N2)C1 1070727106 PUUJVYUXGCFTFU-JHJVBQTASA-N 321.377 -0.590 30 20 DBED CC#CCN1CCNC(=O)CCN(C(=O)c2cc[nH]n2)CC1 1070943244 HJONECVLAVDVIB-UHFFFAOYSA-N 303.366 -0.303 30 20 DBED N#CCSCC(=O)N[C@@H]1CCCN(C(=O)Cn2cncn2)C1 1071372229 GYAKQUMOFVZHBP-LLVKDONJSA-N 322.394 -0.358 30 20 DBED C#CCN1C[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)CC[C@@H]1C 1071992354 KOJBMYACHZCFTB-WDEREUQCSA-N 314.349 -0.367 30 20 DBED CC(C)C#CC(=O)N1C[C@H](C)[C@@H](NC(=O)c2nnn(C)n2)C1 1072051899 JSSDEJRIGZHOAA-QWRGUYRKSA-N 304.354 -0.554 30 20 DBED C=CCCOCC(=O)N1C[C@@H](NC(=O)Cn2cncn2)[C@H](C)C1 1072337444 SLCKSRHGLQQTGE-CHWSQXEVSA-N 321.381 -0.166 30 20 DBED CC1(NC(=O)Cn2cnnn2)CCN(C(=O)C#CC2CC2)CC1 1073011769 RSUQZFGUAWBARB-UHFFFAOYSA-N 316.365 -0.416 30 20 DBED N#CCN1CCO[C@H]2CCN(C(=O)c3ccc(C(N)=O)[nH]3)C[C@@H]21 1074340419 IVRANIXAFMGZDZ-STQMWFEESA-N 317.349 -0.448 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(O)(CNC(=O)c2ncccn2)CC1 1074704694 GNAQCWRINIMXTF-NSHDSACASA-N 317.349 -0.280 30 20 DBED C=CCCC(=O)NCC[C@H](C)NC(=O)c1cn(CC(N)=O)nn1 1075887026 TXCARYMNZVNFBY-JTQLQIEISA-N 322.369 -0.646 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@H](C)c2c(C)nn(C)c2C)C1 1078278938 LIWMUQLXSPDUFG-LERXQTSPSA-N 304.394 -0.065 30 20 DBED C=CCOCC(=O)N1CC(N(CC)C(=O)[C@H]2CCC(=O)N2C)C1 1080317559 IZNRWGIOPSYVNF-CYBMUJFWSA-N 323.393 -0.131 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(N(CC)C(=O)[C@H]2C[C@H]2C(N)=O)C1 1080564153 QGYFKDPEIOXJLQ-RTXFEEFZSA-N 321.377 -0.795 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)Cc2cnc[nH]2)C1 1081799970 FQTSTHGSDMRPDR-DGCLKSJQSA-N 306.366 -0.146 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@H]2CCc3c[nH]nc3C2)[C@H](OC)C1 1082379391 VRVIXCDGSOJMNV-NILFDRSVSA-N 302.378 -0.037 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)Cn2c(O)nc3ccccc32)C1 1083809608 UPJOESKBDWSPLJ-OCCSQVGLSA-N 314.345 -0.464 30 20 DBED O=C(N[C@@H]1CN(CC#Cc2ccccc2)C[C@@H]1O)c1cnon1 1083877609 HUZWBCUFUGIZDU-CABCVRRESA-N 312.329 -0.104 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCCN2C(=O)C(C)C)C1 1084070526 RIXRKVXQQWYBIP-KFWWJZLASA-N 321.421 -0.182 30 20 DBED N#CCN1CC[C@@H]2CN(C(=O)[C@@H]3CCc4nnnn4CC3)[C@@H]2C1 1084674571 KKRZHJQEOBIYJL-JHJVBQTASA-N 315.381 -0.318 30 20 DBED C#CCN[C@H]1C[C@@H](CNC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 1086155954 HZTSZFXPZFZLAB-LOWVWBTDSA-N 301.350 -0.517 30 20 DBED C=CCN1CC[C@@H](NC[C@@H]2C[C@H](C)CCN2C(=O)C(N)=O)C1=O 1087207696 RMUIKGDSAUCBDK-FRRDWIJNSA-N 322.409 -0.525 30 20 DBED CCN(c1cncc(C#N)n1)[C@H](C)CNC(=O)[C@H]1CNC(=O)N1 1089728409 MFLQNGXJDBLAQB-MWLCHTKSSA-N 317.353 -0.639 30 20 DBED C#CCN1CC[C@H](NC(=O)c2ccc(NC(C)=O)cn2)[C@@H](O)C1 1090312088 DGTXENPFFAGROG-ZFWWWQNUSA-N 316.361 -0.162 30 20 DBED C#CCN1CC[C@H](NC(=O)c2c(C)c(C)nn(C)c2=O)[C@H](O)C1 1090478639 HJTPAVQJZHMQIT-QWHCGFSZSA-N 318.377 -0.805 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1O 1090494454 FBXTUJHPOYHOCE-CHWSQXEVSA-N 315.333 -0.946 30 20 DBED CCCOCC(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1091070275 BOCSFFOHZDXXCH-MNOVXSKESA-N 305.338 -0.559 30 20 DBED Cc1nc(N(C)C)nc(N2C[C@H](O)[C@H](NC(=O)[C@H](C)C#N)C2)n1 1091079100 JRXJWPNTYYNRAO-IEBDPFPHSA-N 319.369 -0.929 30 20 DBED CC(C)OCC(=O)N[C@@H]1CCN(c2cnc(C#N)cn2)C[C@H]1O 1092140503 OXBZBZWLTWXIBL-CHWSQXEVSA-N 319.365 -0.171 30 20 DBED C[C@@]12CN(CC#N)C[C@@H]1CN(C(=O)[C@@H]1CCCS1(=O)=O)C2 1092288077 MQPITGAAAMWBOQ-DYEKYZERSA-N 311.407 -0.133 30 20 DBED C#CCNC(=O)CC(=O)N1CCN(c2cnc(C#N)cn2)CC1 1093148312 DTLITGZJSOUYLX-UHFFFAOYSA-N 312.333 -0.864 30 20 DBED CN(C)C(=O)CC(=O)NC1[C@@H]2CN(c3ncccc3C#N)C[C@@H]12 1093358280 PETPDACOVVGYDB-VXGBXAGGSA-N 313.361 -0.018 30 20 DBED CC(C)[C@H]1N(C(=O)CC(N)=O)C[C@]12C[C@@H](O)[C@H](NCC#N)C2 1093437423 RHGCUPLJILTLBN-FKGLVLAHSA-N 308.382 -0.649 30 20 DBED N#CCN1CC(OC2CCN(C(=O)Cn3nccn3)CC2)C1 1093540308 IKGOSFYWILUGSY-UHFFFAOYSA-N 304.354 -0.507 30 20 DBED C=CCN1CCN(C(=O)c2cocn2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094612962 VQIGMSBNZDWCFY-NWDGAFQWSA-N 311.363 -0.216 30 20 DBED N#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN1CCCS1(=O)=O 1095500241 RTVLJGSVWRQVLB-WOPDTQHZSA-N 312.395 -0.733 30 20 DBED CCN(CCCNC(=O)[C@@H]1CCC(=O)N1)c1ccc(C#N)nn1 1095899088 ORCOZPMUCGVAIY-LBPRGKRZSA-N 316.365 -0.041 30 20 DBED CNS(=O)(=O)CC(=O)N[C@@H]1CCN(c2ccncc2C#N)C1 1096383976 YZDJDSMYPZFMAA-LLVKDONJSA-N 323.378 -0.803 30 20 DBED Cn1ncc(C(=O)NC[C@@H](N=c2cc[nH]c(C#N)n2)C2CC2)n1 1096692339 XEECADCSYDGEPT-SNVBAGLBSA-N 312.337 -0.481 30 20 DBED C[C@H](CNC(=O)c1cc(=O)n(C)o1)Nc1cncc(C#N)n1 1097783175 SKALDOZNJLMCCG-MRVPVSSYSA-N 302.294 -0.130 30 20 DBED C[C@H](CNC(=O)C1CC(=O)NC(=O)C1)Nc1cnc(C#N)cn1 1097936628 KZBHCHCYUDWICQ-MRVPVSSYSA-N 316.321 -0.682 30 20 DBED CC#CCN(CCO)C1CCN(C(=O)[C@H]2CCC(=O)N2C)CC1 1098459501 DFKPRWQHMPKPLF-OAHLLOKOSA-N 321.421 -0.084 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@@H](C)Nc1cncc(C#N)n1 1098982810 BDMKZBPVCXQCKZ-LLVKDONJSA-N 314.349 -0.206 30 20 DBED Cc1cc(=N[C@H](C)CCNC(=O)c2nnn(C)n2)c(C#N)c[nH]1 1099621345 JDGJFGKZGBWSHZ-SECBINFHSA-N 314.353 -0.172 30 20 DBED Cn1cnnc1CN1CC[C@@H](NC(=O)CSCC#N)[C@H](O)C1 1099688773 AORCCBTYMGSJAK-GHMZBOCLSA-N 324.410 -0.877 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)c2ncn(C)n2)[C@H](O)C1 1099802393 VAIRSZOQRWFQBZ-NWDGAFQWSA-N 309.370 -0.817 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CCCNC(=O)C2CC2)[C@H](O)C1 1099863290 LHSGAJJACROPLE-HUUCEWRRSA-N 321.421 -0.133 30 20 DBED CC(C)(CN1CCOCC1)C(=O)N[C@H]1CCN(CC#N)C[C@@H]1O 1099892909 RHRJAAHHIWQXFH-KBPBESRZSA-N 324.425 -0.580 30 20 DBED C=C/C(C)=C\CC(=O)N[C@@H]1CCN(CC(=O)NCC#N)C[C@@H]1O 1099955697 YAECDGAVJDYHQF-RXAFCMNPSA-N 320.393 -0.300 30 20 DBED C=C(Cl)CN1CC[C@@H](NC(=O)C(=O)NCC2CC2)[C@H](O)C1 1100056271 RGHRYEQBUYNENM-VXGBXAGGSA-N 315.801 -0.184 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2oncc2C)[C@@H](O)C1 1100061554 DIVUOOBFLGAGRU-OLZOCXBDSA-N 307.350 -0.202 30 20 DBED C#CCN1CC[C@H](NC(=O)CCC(=O)N(CC)CC)[C@@H](O)C1 1100122752 WGJHANIEQXFUPC-KBPBESRZSA-N 309.410 -0.180 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2nonc2C)[C@@H](O)C1 1100136887 UIJUHEZCAFCQGE-NEPJUHHUSA-N 308.338 -0.807 30 20 DBED C[C@H]1C[C@@H](C(=O)NCCN(C)c2nccnc2C#N)CC(=O)N1 1100211506 PQIDCQKUTBULHC-WDEREUQCSA-N 316.365 -0.185 30 20 DBED CN(CCNC(=O)c1cc(C(N)=O)co1)c1ccnc(C#N)n1 1100319832 DIJQLVVRWPLKQH-UHFFFAOYSA-N 314.305 -0.094 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H]1CCCN1c1ncc(F)cn1 1100830835 VNXPBGXHOCQIFP-LBPRGKRZSA-N 319.340 -0.160 30 20 DBED N#Cc1nccnc1N(CCNC(=O)[C@@H]1CCC(=O)N1)C1CC1 1101368173 HXIRYNDVGYLFKJ-NSHDSACASA-N 314.349 -0.288 30 20 DBED C=CCN1C[C@@H](C)[C@H](CNC(=O)CN2CC(=O)N(C)C2=O)C1 1102510082 MHDVUTYEKJETHH-VXGBXAGGSA-N 308.382 -0.250 30 20 DBED C[C@H](CNc1nccnc1C#N)N(C)C(=O)[C@@H]1COCCN1C 1104527111 LDASWCWBCPQGNG-YPMHNXCESA-N 318.381 -0.062 30 20 DBED C[C@H](CC(N)=O)C(=O)N(C)CCN(C)c1cnc(C#N)cn1 1105521543 NMEFQEIRRYGYJS-SNVBAGLBSA-N 304.354 -0.246 30 20 DBED CNC(=O)NCC(=O)N(C)CCN(C)c1ccncc1C#N 1105592289 CBKYAFXXZAKBKV-UHFFFAOYSA-N 304.354 -0.223 30 20 DBED Cc1cc(CC(=O)NC[C@@H](O)CNc2ccc(C#N)nn2)no1 1105765936 LBAZKJSSDFHROS-LBPRGKRZSA-N 316.321 -0.224 30 20 DBED CN1CCOC[C@@H]1C(=O)NC[C@H](O)CNc1ccc(C#N)cn1 1105828305 DPDRFFUAZMDUIU-CHWSQXEVSA-N 319.365 -0.827 30 20 DBED C[C@@H](CCNc1ccc(C#N)nn1)NC(=O)[C@@H]1COC(=O)N1 1106313127 HUFDDDPGTAYLKP-WPRPVWTQSA-N 304.310 -0.237 30 20 DBED C[C@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)Cn1nccn1 1106460776 VZEORXAJOAXPMD-SNVBAGLBSA-N 300.326 -0.631 30 20 DBED CCOCCN1CC(n2cc(CNC(=O)[C@@H](C)C#N)nn2)C1 1107149683 NQIKBCVJQIAZLU-NSHDSACASA-N 306.370 -0.053 30 20 DBED CO[C@H](C(=O)NCc1cn(C2CN(CC#N)C2)nn1)C1CC1 1107165131 OTXFUMFGBFXIOZ-ZDUSSCGKSA-N 304.354 -0.300 30 20 DBED CCS(=O)(=O)CC(=O)NC/C=C\CN=c1cc[nH]cc1C#N 1107222666 QJXQZWZEUDBXNO-ARJAWSKDSA-N 322.390 -0.106 30 20 DBED Cc1cc(C#N)nc(NC/C=C/CNC(=O)[C@@H]2CCNC2=O)n1 1107450678 FQAAQWYBDMLGOU-JDGPPOGSSA-N 314.349 -0.123 30 20 DBED C[C@@H](CC(=O)N[C@H](C)CNc1ccc(C#N)nn1)NC(N)=O 1107950282 DJSCPDZAQAWTQK-DTWKUNHWSA-N 305.342 -0.288 30 20 DBED C[C@H](CNc1cncc(C#N)n1)NC(=O)[C@@H]1CCC(=O)NC1 1108204038 NWJIOLQUAZPCJU-NXEZZACHSA-N 302.338 -0.209 30 20 DBED C#CCCN1CC(N2C[C@@H](NC(=O)[C@H](OC)C3CC3)CC2=O)C1 1108538510 JENPRSBJFUSZHP-XJKSGUPXSA-N 319.405 -0.164 30 20 DBED C=C(C)CN1CC(N2C[C@H](NC(=O)[C@H](O)C(C)C)CC2=O)C1 1108540541 ASEUIRZVFHLUJZ-IUODEOHRSA-N 309.410 -0.019 30 20 DBED N#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCCn1c(O)nnc1O 1109471004 RHMVFDCUGKJSSI-VWYCJHECSA-N 320.353 -0.285 30 20 DBED COCCOCC(=O)N[C@@H]1[C@H]2C[C@H]1N(c1ccc(C#N)nn1)C2 1109695296 SMSZSZNEZRTVGP-JVLSTEMRSA-N 317.349 -0.295 30 20 DBED CNC(=O)NCC(=O)N[C@@H](CNc1nccnc1C#N)C1CC1 1110005067 ICKNYEXUSRSLDO-NSHDSACASA-N 317.353 -0.416 30 20 DBED C[C@H](CC(=O)NCC1(Nc2ccnc(C#N)n2)CC1)NC(N)=O 1110237497 QZQXRIWEXIAFFE-SECBINFHSA-N 317.353 -0.144 30 20 DBED CC1(NC(=O)CNC(N)=O)CCN(c2cncc(C#N)n2)CC1 1110570959 IZPYBKKQJZXVPA-UHFFFAOYSA-N 317.353 -0.508 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)[C@H](C)n2cncn2)CC1 1112770622 SKTQIFBIBHEHRF-OLZOCXBDSA-N 318.381 -0.879 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)[C@@H](CC)N(C)C)CC1 1113010853 PIDXFUBYJQSMBG-ZIAGYGMSSA-N 308.426 -0.391 30 20 DBED CNC(=O)NCC(=O)N[C@H](C)[C@H](C)Nc1cncc(C#N)n1 1113349850 KPGUBZTUSCWEGL-DTWKUNHWSA-N 305.342 -0.418 30 20 DBED CC#CCN1CCN(C(=O)[C@@H](NC(=O)COC)C(C)C)CC1 1113413222 NNNNFQUPDUEBQC-HNNXBMFYSA-N 309.410 -0.059 30 20 DBED CC(=O)N1CC(C(=O)NC[C@H](C)N(C)c2nccnc2C#N)C1 1113579550 PCKXRRPNTOWVCK-JTQLQIEISA-N 316.365 -0.233 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)C3=CCOCC3)[C@@H]2C1 1114163483 IKFAORJUNLCHPV-CHWSQXEVSA-N 303.362 -0.871 30 20 DBED C[C@H](c1nnnn1C)N1C[C@@H]2C(NC(=O)C#CC3CC3)[C@H]2C1 1114253845 VULLFXORDFKBEQ-USWWRNFRSA-N 300.366 -0.269 30 20 DBED C#CCOCCC(=O)N[C@H]1[C@@H]2CN([C@@H]3CCCNC3=O)C[C@@H]21 1114266800 XBXMOBLQDGJWIU-COMQUAJESA-N 305.378 -0.649 30 20 DBED CN1CCCC[C@H]1C(=O)NC1[C@H]2CN(CC(=O)NCC#N)C[C@H]12 1114702171 WKLHPILZPMFKQO-AVGNSLFASA-N 319.409 -0.843 30 20 DBED C#CCCN1C[C@H]2C(NC(=O)CCC(=O)NCCCOC)[C@@H]2C1 1115103534 LKKKYJZLRNVWLP-ZIAGYGMSSA-N 321.421 -0.011 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)COCCN(C)C)[C@@H]2C1 1115126267 LHNKPRZBOGRCDD-ZIAGYGMSSA-N 309.410 -0.739 30 20 DBED C#CCN1C[C@H]2C(NC(=O)CCC(=O)N3CCOCC3)[C@@H]2C1 1115208976 NMWQWXYVJBLTOW-CHWSQXEVSA-N 305.378 -0.695 30 20 DBED COCCN(CCC#N)C(=O)C(=O)Nc1ccn(CCOC)n1 1116727400 PVWLEGFBPUCRRC-UHFFFAOYSA-N 323.353 -0.143 30 20 DBED C=CCn1cc(CNC(=O)C(=O)NC[C@H]2CCCOC2)nn1 1118173121 NWBPJLBETFVSEE-LLVKDONJSA-N 307.354 -0.377 30 20 DBED C#CCO[C@@H](C)C(=O)NC1CC2(CC(NCC(=O)NC)C2)C1 1121097106 LGPJIYZOZUIIRC-KWDKGFIESA-N 307.394 -0.212 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@H](CO)Nc1ncnc2[nH]cnc12 1121405113 KQYUAIMATDCZOK-YMTOWFKASA-N 320.353 -0.431 30 20 DBED N#Cc1nc(=N[C@H](CO)CNC(=O)Cc2cccnc2)cc[nH]1 1121445492 ACMZMSVKIXLZNB-LBPRGKRZSA-N 312.333 -0.703 30 20 DBED N#Cc1nc(=N[C@H](CO)CNC(=O)c2ccc(O)nc2)cc[nH]1 1121550077 LGHKKGMDOYHPNE-JTQLQIEISA-N 314.305 -0.926 30 20 DBED C=CCn1c([C@H]2CCNC(=O)C2)nnc1N1CCN(C)C(=O)C1 1121664972 GPTVTNLCVYEQJP-NSHDSACASA-N 318.381 -0.264 30 20 DBED N#Cc1nc(=N[C@H](CO)CNC(=O)Cc2ccco2)cc[nH]1 1121888012 NQGQAYYNSHHHKW-JTQLQIEISA-N 301.306 -0.505 30 20 DBED C#CCOCCC(=O)NC[C@H](CO)Nc1nc(C)cc(C#N)n1 1122029843 XPDHVTIUSBMGHL-CYBMUJFWSA-N 317.349 -0.414 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H](CO)Nc1ncnc2c1CCC2 1122037107 UCTUWYYGDOMEBP-VXGBXAGGSA-N 318.377 -0.107 30 20 DBED C#CCNC1CC2(C1)CC(NC(=O)CS(=O)(=O)N(C)C)C2 1122129427 BNWKEOITQVUSDT-UHFFFAOYSA-N 313.423 -0.472 30 20 DBED N#Cc1cccnc1N[C@H](CO)CNC(=O)c1cnnc(O)c1 1122158704 YIPSODBSRDFGEI-NSHDSACASA-N 314.305 -0.348 30 20 DBED CN(C)C(=O)CC(=O)NC[C@@H](CO)Nc1ccc(C#N)cn1 1122637141 RFAMXCGSMYPSFW-NSHDSACASA-N 305.338 -0.679 30 20 DBED CNC(=O)CC(=O)N[C@H]1CCCN(c2cncc(C#N)n2)[C@H]1C 1123536326 AIGDDKLHQZAEJH-JQWIXIFHSA-N 316.365 -0.042 30 20 DBED CO[C@@H](C)C(=O)N(C)C[C@H](O)CN=c1cc(C)[nH]cc1C#N 1124123908 KYQFYKOPECWXIE-WCQYABFASA-N 306.366 -0.050 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)C[C@@H]1CCOC1 1124179392 GMAJKEGKLHGOMS-NWDGAFQWSA-N 319.365 -0.572 30 20 DBED CN(C[C@@H](O)CNc1ncccc1C#N)C(=O)[C@@H]1CCC(=O)N1 1124428152 MLBNGODPYUBPOS-RYUDHWBXSA-N 317.349 -0.537 30 20 DBED C[C@@H](CC(N)=O)C(=O)N(C)C[C@H](O)CNc1cnc(C#N)cn1 1124689119 OKOAZGVTPWQDAM-GXSJLCMTSA-N 320.353 -0.909 30 20 DBED CN(C[C@H](O)CN(C)c1nccnc1C#N)C(=O)c1nc[nH]n1 1125139875 PTZABEIMURIUIK-SECBINFHSA-N 316.325 -0.964 30 20 DBED Cc1nsc(N(C)C[C@H](O)CN(C)C(=O)C(N)=O)c1C#N 1125246807 BAPSLRWDYLEFTP-MRVPVSSYSA-N 311.367 -0.936 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)C1CC(F)(F)C1 1125489051 IEBNUIYCZCILBL-UHFFFAOYSA-N 318.324 -0.251 30 20 DBED C=CCOCCN[C@@H]1CN(C(=O)CCOC)C[C@@H]1n1ccnn1 1129521951 YJYOVUMETCNWPQ-KGLIPLIRSA-N 323.397 -0.141 30 20 DBED C=CCOCC(=O)N1C[C@H](n2ccnn2)[C@H](NCCCO)C1 1129681472 RQVRZOWMJHEYJV-OLZOCXBDSA-N 309.370 -0.795 30 20 DBED C#CCN1CCOC[C@H]1c1n[nH]c(CNC(=O)[C@@H](C)C#N)n1 1130835442 MSGQKMHDHYONJP-QWRGUYRKSA-N 302.338 -0.413 30 20 DBED C#CCCN1C[C@H]2C[C@H]3CN(C(=O)CNC(=O)OC)C[C@@]3(C1)O2 1131191182 RDBCKJUEUPUZDM-WOSRLPQWSA-N 321.377 -0.333 30 20 DBED CCCC(=O)NCC(=O)N1C[C@H]2C[C@@H]3CN(CC#N)C[C@]2(C1)O3 1131200288 IEYBMSXAJFPSTR-XJKCOSOUSA-N 320.393 -0.272 30 20 DBED CCOCCCC(=O)N1CCC(=O)NCCN(CC#N)CC1 1131331237 CWHBUXRWMTYEHM-UHFFFAOYSA-N 310.398 -0.023 30 20 DBED C=CCCC(=O)N1CCC(=O)NCCN(CC(=O)NC)CC1 1131336797 KDIMPSFSNJVWEH-UHFFFAOYSA-N 310.398 -0.651 30 20 DBED C=C(C)CCC(=O)N1CCC(=O)NCCN([C@H](C)C(N)=O)CC1 1131364791 XPFRXXNMQIXVTK-CYBMUJFWSA-N 324.425 -0.133 30 20 DBED C=C(C)CCC(=O)N1CCC(=O)NCCN([C@@H](C)C(N)=O)CC1 1131364792 XPFRXXNMQIXVTK-ZDUSSCGKSA-N 324.425 -0.133 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)CCCCC(N)=O)CC1 1131391456 VDYRWHDNXUNQDI-UHFFFAOYSA-N 324.425 -0.131 30 20 DBED C[C@H]1CC[C@@H](NC(=O)C2=COCCO2)CN1CC(=O)NCC#N 1131776767 WIZFRLRLEDJNKP-NWDGAFQWSA-N 322.365 -0.517 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCCNC[C@H](O)Cn1cccn1 1134061894 IOFMXBTXNYXPOJ-MJBXVCDLSA-N 308.382 -0.459 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1ccc2nncn2c1 1135244363 DRPNZNPOYKIZIT-UHFFFAOYSA-N 302.338 -0.649 30 20 DBED C[C@@H](C[C@@H](C)NCC(=O)NCC#N)NC(=O)C(=O)NCC1CC1 1135788936 NCDZHAZUZJBDSP-MNOVXSKESA-N 323.397 -0.975 30 20 DBED C#CCCN[C@@H](C)C[C@H](C)NC(=O)Cn1nc(C)n(C)c1=O 1136055957 QMARJQDYGKWPJG-RYUDHWBXSA-N 307.398 -0.214 30 20 DBED COCC#CCN1CCC2(C1)CN(C(=O)[C@@H]1COC(=O)N1)C2 1147455766 QUQVKBGTZQWUJV-LBPRGKRZSA-N 307.350 -0.721 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)[C@H]1CCN(C(C)=O)C1 1149324886 DNWNPYIYNRVLAM-AAEUAGOBSA-N 310.398 -0.749 30 20 DBED C=CCCCN1CCCO[C@H](CNC(=O)[C@H]2CNC(=O)N2)C1 1150195367 YXOGHZZEODFVAT-CHWSQXEVSA-N 310.398 -0.159 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)[C@@H]1CCN(C)C1 1151049803 ZIQOAIASXXFGJM-CYBMUJFWSA-N 309.414 -0.594 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)CNC(=O)CCC)C1=O 1155285308 KJWHFQAXJQJUPR-CYBMUJFWSA-N 324.425 -0.215 30 20 DBED C#CCCCC(=O)NCCCNCCN1CCCS1(=O)=O 1157164539 RNRMSJUIWFUMAI-UHFFFAOYSA-N 315.439 -0.079 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)[C@H]1CCCCC(=O)N1 1166462317 LIDJTILUXSVMOO-CHWSQXEVSA-N 324.425 -0.168 30 20 DBED C#CCNC(=O)CNCC1(CCNC(=O)CN(CC)CC)CC1 1167481052 YLHBQHSNSHUJAH-UHFFFAOYSA-N 322.453 -0.046 30 20 DBED C#CCNC(=O)CNCCCC[C@H](C)NC(=O)[C@@H]1COC(=O)N1 1170492619 JMVQPYWGXBHUCL-RYUDHWBXSA-N 324.381 -0.891 30 20 DBED COCC#CCN1CCO[C@H]2CCN(C(=O)c3nc[nH]n3)C[C@H]21 1177119133 NDWVVPLIYBZTMT-OLZOCXBDSA-N 319.365 -0.630 30 20 DBED C#CCNC(=O)CNCCCCCCNC(=O)c1cnnn1C 1178368830 IHBAJWCFCBRCQM-UHFFFAOYSA-N 320.397 -0.556 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CCNC(=O)C2)[C@H]1C 1178455537 GPJDOLGVPVMGLZ-XQQFMLRXSA-N 322.409 -0.606 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@@H](NCC(=O)N2CCCC2)C1 1182473291 PBPVEGDFHVDDHN-ZIAGYGMSSA-N 307.394 -0.162 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)CCCN(C)C(C)=O)C1 1187451696 VXJZGOSYZISVTI-CQSZACIVSA-N 324.425 -0.262 30 20 DBED CN(CC(=O)NCC#N)[C@H]1CCN(C(=O)Cn2cccn2)C1 1188870973 WMHJTBGNDRUFGW-LBPRGKRZSA-N 304.354 -0.944 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@@H](N(C)Cc2nnn(C)n2)C1 1190093993 GEKNSJXVBXUXGF-NWDGAFQWSA-N 306.370 -0.719 30 20 DBED CCN1CCOC[C@H]1C(=O)N1CC[C@@H](N(C)CC#CCOC)C1 1191060733 CMRNFXNLYUADAM-CVEARBPZSA-N 323.437 -0.110 30 20 DBED Cc1ncc(C(=O)N2CC[C@H](N(C)CC(=O)NCC#N)C2)n1C 1191959105 MWKIOAUAHXEIOO-LBPRGKRZSA-N 318.381 -0.485 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)C2(C(F)F)CC2)C1 1192969014 IYNGPCJOCYIXFR-GHMZBOCLSA-N 302.321 -0.157 30 20 DBED CCn1ccc(CC(=O)N[C@@H]2CN(CC#CCOC)C[C@H]2O)n1 1193094958 AQVUOSYCIZCDGT-HUUCEWRRSA-N 320.393 -0.743 30 20 DBED C[C@H](NC(=O)c1ccoc1)C(=O)N[C@@H]1CN(CC#N)C[C@H]1O 1193165932 HFUSFCYLRLFFBQ-MVWJERBFSA-N 306.322 -0.917 30 20 DBED CCNC(=O)NC(=O)[C@H](C)N1CCCN(C(=O)[C@H](C)C#N)CC1 1195322355 YLMWXEYTFQBSHG-NEPJUHHUSA-N 323.397 -0.085 30 20 DBED C#CCNC(=O)CC(=O)N1CCCN(Cc2nccn2C)CC1 1195536149 UUNKVUPUJAECNB-UHFFFAOYSA-N 317.393 -0.406 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@@](C)(NC(C)=O)C(C)C)C1 1199260457 CKSWCPFFZSUHPY-FMKPAKJESA-N 309.410 -0.278 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)c2nnn(C)c2C)CC1 1199928024 BGOVZSJAZZDGND-UHFFFAOYSA-N 318.381 -0.933 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)[C@H](C)OCC#C)CC1 1200531591 FYFPVBHPTDXGQK-ZDUSSCGKSA-N 305.378 -0.645 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCCO[C@@H](CNCCO)C1 1200721230 JZHJHEGGWRCFPY-GJZGRUSLSA-N 309.410 -0.717 30 20 DBED C#CCNC[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)CCCO1 1201411177 PBNSKUUOKKDPQP-HZSPNIEDSA-N 307.394 -0.272 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)[C@H]2CCO[C@H]2C)CC1 1203052150 MCAOMUKJCSMKRG-JSGCOSHPSA-N 307.394 -0.259 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)C1CCC(O)CC1 1206920670 ZNRJLHSPLZOVDD-BLYZHGLHSA-N 322.409 -0.386 30 20 DBED C#CCN[C@@H]1CCCN(C(=O)CCS(=O)(=O)N(C)C)C1 1211220245 ZBKYOVPBFAIAMB-GFCCVEGCSA-N 301.412 -0.518 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(CCS(C)(=O)=O)C[C@H]1OC 1212031975 DKYSBEHVIRUIQS-VXGBXAGGSA-N 320.411 -0.951 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)CC2(O)CCC2)C[C@H]1C 1214573682 ISDGYOMBPOZIOB-CHWSQXEVSA-N 307.394 -0.523 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1C 1214725342 DUSFFCHQAZOXDN-JHJVBQTASA-N 320.397 -0.595 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H](C)NC(=O)CC 1217966482 RNRMBLASOXNSSU-MELADBBJSA-N 307.394 -0.164 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)COCc1ccnn1C 1218167391 CSXVLGQXNKGKBJ-LSDHHAIUSA-N 318.377 -0.519 30 20 DBED C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CCO[C@@H]2CN(CC#N)C[C@@H]21 1218414553 MBGKGEAAJCKAFD-FRRDWIJNSA-N 322.409 -0.028 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)CSC)C1 1219153474 JQPWTQWNFREBRS-MXWKQRLJSA-N 301.412 -0.799 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(CCCC(C)C)C[C@@H]1O 1219487500 UJKGGIGTXMFNFF-KGLIPLIRSA-N 309.410 -0.277 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2snnc2C)C[C@@H]1O 1219609245 IQMWMYJISMVGGM-NEPJUHHUSA-N 324.406 -0.452 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2cncs2)C[C@@H]1O 1219609336 MOXCMPFEGXCJEZ-OLZOCXBDSA-N 309.391 -0.156 30 20 DBED C=C[C@@H](CC)CC(=O)N[C@@H]1CN(CC(=O)N2CCC2)C[C@@H]1O 1220203922 UZARVDWNTNTLMZ-MJBXVCDLSA-N 309.410 -0.018 30 20 DBED Cc1cc(C(=O)N2C[C@H]3CCN(CC(=O)NCC#N)C[C@H]32)on1 1221264233 BFLWHOTZQVDFDX-VXGBXAGGSA-N 317.349 -0.231 30 20 DBED N#CCSCC(=O)N1C[C@H]2CCN([C@@H]3CCNC3=O)C[C@H]21 1221289039 GVXILFVMMQFYNI-IJLUTSLNSA-N 308.407 -0.336 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)[C@@]23COC[C@@H]2C3)CC1 1227455159 ZVIJPEARTPEUKD-LRDDRELGSA-N 307.394 -0.094 30 20 DBED C=CCCN1CCC(NC(=O)[C@H](CCC(N)=O)NC(C)=O)CC1 1229626522 XRBLUWORFUASNR-AWEZNQCLSA-N 324.425 -0.087 30 20 DBED COCC#CC(=O)N1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 1261742322 QWNBYDLGZUGLKJ-LBPRGKRZSA-N 314.407 -0.043 30 20 DBED CN1CC(=O)N(CCCC(=O)OCC(=O)NCCC#N)C1=O 1317723266 DRCBVVBMQAHJQK-UHFFFAOYSA-N 310.310 -0.766 30 20 DBED CC#CCNC(=O)C(=O)Nc1cnn(CCN2CCOCC2)c1 1320600697 FDQUOENWHKDLSF-UHFFFAOYSA-N 319.365 -0.707 30 20 DBED C[C@@]1(CO)CCCN(C(=O)C(=O)NC2CCN(CC#N)CC2)C1 1322623522 UTNMCRQIHCAFRO-MRXNPFEDSA-N 322.409 -0.288 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)NCC1(C(=O)NCC)CCC1 1327419149 PNKBZXPDXNBCES-UHFFFAOYSA-N 317.389 -0.106 30 20 DBED N#CCNC(=O)CNC(=O)N1CCC(OC[C@H]2CCOC2)CC1 1329235024 ROLQZRSAVHUPHE-LBPRGKRZSA-N 324.381 -0.147 30 20 DBED COCCN(CC#N)c1nnnn1CCCN1CCOCC1 1335343708 SBOOLIAPMUNWAU-UHFFFAOYSA-N 309.374 -0.628 30 20 DBED C=C[C@@H](O)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1CO 1339385763 DEIGWHPSPRROJT-GHMZBOCLSA-N 300.355 -0.027 30 20 DBED C#CCNC(=O)C1CCN(C(=O)c2ccn(C)c(=O)c2)CC1 1340052204 ZGCDFQNJEVWEQY-UHFFFAOYSA-N 301.346 -0.013 30 20 DBED C=CCCOCCn1nnnc1N1CCO[C@@H](C(=O)OC)C1 1355637844 KGMNOMKTTOYCMQ-LLVKDONJSA-N 311.342 -0.356 30 20 DBED N#Cc1ncn(CC(=O)N2CCC[C@]3(CCS(=O)(=O)C3)C2)n1 1362456078 UOKUSHZQPRZROW-ZDUSSCGKSA-N 323.378 -0.423 30 20 DBED N#Cc1cn(CCNC(=O)[C@H]2CCCN2C2CC2)c(=O)nc1O 1364110514 ZQWUPBJOBGBEPC-GFCCVEGCSA-N 317.349 -0.436 30 20 DBED C=C(Cl)CN1CC(CNC(=O)CNS(=O)(=O)N(C)C)C1 1373536988 IKJOKDASHQXVTQ-UHFFFAOYSA-N 324.834 -0.817 30 20 DBED C[C@H](C#N)C(=O)NCC1CN(C(=O)[C@@H](C)S(C)(=O)=O)C1 1374896704 BLAJCGBCGOMDQL-RKDXNWHRSA-N 301.368 -0.846 30 20 DBED C=C(Cl)CN1CC(O)(CNC(=O)[C@H](C)CS(C)(=O)=O)C1 1376303777 GOTJERDDZMGAIN-SECBINFHSA-N 324.830 -0.418 30 20 DBED C[C@@H](CNC(=O)CN1CCC(=O)NC1=O)N(C)C(=O)[C@H](C)C#N 1380923717 VFLRUHVDIWJMIR-ZJUUUORDSA-N 323.353 -0.949 30 20 DBED C[C@H](NC(=O)c1ccoc1)C(=O)N1CC(NC(=O)[C@H](C)C#N)C1 1387805856 HXWMPPKWSVYGGZ-ZJUUUORDSA-N 318.333 -0.115 30 20 DBED CCN(C(=O)[C@@H](C)C#N)[C@H](C)CNC(=O)CN1CCOCC1 1396298581 QRXYFTNWKBSJQD-QWHCGFSZSA-N 310.398 -0.169 30 20 DBED CCN(CCNC(=O)CS(=O)(=O)C(C)C)C(=O)[C@@H](C)C#N 1408746492 HHASIIDYUFHRFW-NSHDSACASA-N 317.411 -0.066 30 20 DBED Cc1c(CNC(=O)Cn2cc(C#N)c(O)nc2=O)cnn1C 1411990624 UKYIMDXBIQLRAT-UHFFFAOYSA-N 302.294 -0.821 30 20 DBED COC(=O)[C@@H]1CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)[C@@H]1C 1412843648 LGGSOULHIZTCNI-PSASIEDQSA-N 320.305 -0.769 30 20 DBED CN(C)C(=O)Cn1cnc(NC(=O)N2CC[C@@](O)(CC#N)C2)n1 1413522219 DUTSVQNBTQTMJC-ZDUSSCGKSA-N 321.341 -0.751 30 20 DBED C[C@@H](C#N)C(=O)NC1CCN(C(=O)[C@H]2CN(C)CCO2)CC1 1414659347 JJBGDJCHJQZATH-WCQYABFASA-N 308.382 -0.416 30 20 DBED C=C(Cl)CNC[C@@H](O)CNC(=O)[C@@H]1CCCCN1C(N)=O 1422393847 FEWXKJCFOIECHR-MNOVXSKESA-N 318.805 -0.261 30 20 DBED CC(C)(CC#N)CS(=O)(=O)NCCS(=O)(=O)NC1CC1 1423606456 RTTGUFXNPSSTST-UHFFFAOYSA-N 323.440 -0.073 30 20 DBED C=C(Cl)CN1C[C@H]2CN(C(=O)CS(=O)(=O)NC)C[C@H]2C1 1423995912 HRHXCSKLAMNPFW-PHIMTYICSA-N 321.830 -0.322 30 20 DBED CCN(CCNC(=O)[C@H](C)C#N)C(=O)c1ccc2nnnn2c1 1449505636 FLKVSQAHXZWAFM-SNVBAGLBSA-N 315.337 -0.138 30 20 DBED CCN(CCNC(=O)Cc1nc[nH]n1)C(=O)c1cc(C#N)c[nH]1 1455689313 RJYPGLYHUOFKPT-UHFFFAOYSA-N 315.337 -0.175 30 20 DBED C[C@H](C#N)C(=O)N(C)CC1CCN(C(=O)Cn2cnnn2)CC1 1456120924 QPIRSKMDIFXBGA-LLVKDONJSA-N 319.369 -0.470 30 20 DBED CC(C)(CC#N)CS(=O)(=O)N1CCN2C(=O)NC[C@H]2C1 1475046121 WWGVAGZAWQGQNK-JTQLQIEISA-N 300.384 -0.035 30 20 DBED CCN(CCNC(=O)Cn1cnnn1)C(=O)c1ccc(C#N)[nH]1 1496646645 ILVVOUROKOTLLT-UHFFFAOYSA-N 316.325 -0.849 30 20 DBED CN(C)[C@]1(C(=O)NCC(=O)NCC#N)COc2ccccc2C1 1528418648 RPZRMMHMPCFFGB-INIZCTEOSA-N 316.361 -0.322 30 20 DBED C[C@H](CNC(=O)c1cn(C)c(=O)nc1O)CNC(=O)[C@H](C)C#N 1532238589 ZWAZXBUVAULSGB-DTWKUNHWSA-N 321.337 -0.872 30 20 DBED Cc1cc(COCC(=O)NC[C@H](O)CNC(=O)[C@@H](C)C#N)no1 1533286717 HMUODDXYACNSSD-CABZTGNLSA-N 324.337 -0.747 30 20 DBED C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2C[C@@H](OC)CN2)n1 1573306704 MXHIFGYYULJMGW-CABCVRRESA-N 320.393 -0.132 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](Nc2nccnc2-c2nn[nH]n2)C1 1573565282 PTQOHRXPIVZECC-BDAKNGLRSA-N 313.325 -0.171 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)CCCc3cnn[nH]3)CO2)C1 1577706284 AXZXAWKJGANNBD-GFCCVEGCSA-N 304.354 -0.390 30 20 DBED N#Cc1cn(CC(=O)N[C@@H]2CC[C@@H]3CNC[C@H]3C2)c(=O)nc1O 1580081033 PRLOHGNJNPBXEL-CKYFFXLPSA-N 317.349 -0.675 30 20 DBED C=CCN(C(=O)C(=O)N1C[C@@H](C(=O)O)[C@@H](C(=O)OC)C1)C1CC1 1588820069 PEPVTIWZLLUFCV-MNOVXSKESA-N 324.333 -0.504 30 20 DBED C=CCOC[C@@H](NC(=O)[C@H](NS(C)(=O)=O)C(C)C)C(=O)O 1588855880 QRMMSCBHECCPSI-NXEZZACHSA-N 322.383 -0.668 30 20 DBED N#Cc1nc(NC(=O)[C@@H]2CCc3nccn3C2)[nH]c1-c1nn[nH]n1 1592683696 WUQQLSKGQUPEMR-SSDOTTSWSA-N 324.308 -0.141 30 20 DBED CN1C[C@@H](C(=O)O)N(C(=O)c2ccc(C#N)c(Cl)n2)CC1=O 1598562531 KVTSFDANVNMTRY-VIFPVBQESA-N 322.708 -0.026 30 20 DBED C=CC[C@@H](C(=O)O)N1CCCN(S(=O)(=O)N(C)C)CC1 1602836006 YXXDKGPLGWMNNA-NSHDSACASA-N 305.400 -0.170 30 20 DBED N#C[C@@]1(C(=O)NCCOCCOCC(=O)O)CCCOC1 1605577275 YVCMJFUNOJRDGT-ZDUSSCGKSA-N 300.311 -0.459 30 20 DBED N#Cc1cc(C(=O)N2CC(CNC(=O)[C@@H]3C[C@@H]3C(=O)O)C2)c[nH]1 1608194107 QCYWZTDQGJPKJL-NEPJUHHUSA-N 316.317 -0.205 30 20 DBED C#CCNC(=O)CN1CC[C@H](CNC(=O)c2cn(C)nc2C)C1 1753125822 YCIIDSXPHWMCMY-CYBMUJFWSA-N 317.393 -0.470 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC(CNC(=O)C(=O)NCC2CC2)C1 1753413235 VVVAFJNCEWOLJQ-LLVKDONJSA-N 322.409 -0.749 30 20 DBED C#CCNC(=O)CNC[C@](C)(NC(=O)Cc1cnc[nH]1)C1CC1 1753524940 OVXDOJSTFNUPRE-INIZCTEOSA-N 317.393 -0.424 30 20 DBED C=CCNC(=O)[C@@H](C)N(C)CCN(C)C(=O)c1cnnn1C 1753852055 ZSQOOKDBWYXGPZ-LLVKDONJSA-N 308.386 -0.490 30 20 DBED C#CCCNC[C@H](O)CNC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F 1753914937 NXVOTXDEFJQVLH-AXFHLTTASA-N 324.299 -0.577 30 20 DBED N#CCNC(=O)CNC/C=C\CNC(=O)[C@H]1C[C@H]2C=C[C@H]1O2 1754141771 KADAPBSCVXLLEL-XDWZZLAFSA-N 304.350 -0.768 30 20 DBED C#CCNC(=O)CNC/C=C\CNC(=O)c1cncc(C#C)c1 1754169615 LESNINRZAFYCOA-WAYWQWQTSA-N 310.357 -0.312 30 20 DBED C[C@H](CNCC(=O)N1CCOCC1)NC(=O)C#CC(C)(C)C 1754226390 LAFHPKDEXFQUDW-CYBMUJFWSA-N 309.410 -0.011 30 20 DBED C#CCNC(=O)CNC[C@@H](C)NC(=O)CN1CCCCCC1=O 1754251972 SZPCXMKIWQRWEE-CYBMUJFWSA-N 322.409 -0.767 30 20 DBED C#CCNC(=O)CN1[C@H]2CCC[C@H]1CN(C(=O)c1ncc[nH]1)C2 1754551466 FRNNYHAVFIUKCA-STQMWFEESA-N 315.377 -0.162 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC(N(C)C(=O)c2cccnc2)C1 1754568923 IAKDBLJULAROGT-GFCCVEGCSA-N 300.362 -0.024 30 20 DBED CC1(C)CC[C@@H]1C(=O)N1CCO[C@H](CNCC(=O)NCC#N)C1 1755011302 VEXIXSCTCHAVAP-CHWSQXEVSA-N 322.409 -0.121 30 20 DBED C=CCn1cc(C(=O)N(C)CCCN(C)[C@H]2CCNC2=O)nn1 1755046046 RTLQWCFJGWXSFD-ZDUSSCGKSA-N 320.397 -0.254 30 20 DBED COCC#CCN1CCC(CO)(NC(=O)c2cnn[nH]2)CC1 1755178481 FNFBRWJNCBRZEF-UHFFFAOYSA-N 307.354 -0.989 30 20 DBED C=CCNC(=O)CN[C@H](C)[C@H](C)NC(=O)c1ccnc(OC)n1 1755244665 SROMECMJRMGLSS-MNOVXSKESA-N 321.381 -0.116 30 20 DBED C#CCNC(=O)CN1CC(CCO)(NC(=O)CC(C)(C)C)C1 1755330264 PLOBLBWAINTBPR-UHFFFAOYSA-N 309.410 -0.275 30 20 DBED C#CCCCCC(=O)NC1(CCO)CN(Cc2nnnn2C)C1 1755331212 AFCYKJSTFUUNBS-UHFFFAOYSA-N 320.397 -0.543 30 20 DBED C=CCNC(=O)[C@@H](C)NC[C@H]1C[C@H](NC(=O)CN(C)C(C)=O)C1 1755466133 ISJLQEWOMBPPDZ-MRVWCRGKSA-N 324.425 -0.360 30 20 DBED CO[C@@H]1CCn2cc(C(=O)NC[C@H](CO)NCC#N)nc2C1 1755631319 DAGGVPCROLIBMN-GHMZBOCLSA-N 307.354 -0.952 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@H](O)CN(C)C(=O)c1cc(C)no1 1755773700 UZSPLTOYGHTRAI-NEPJUHHUSA-N 322.365 -0.857 30 20 DBED C#CCOCCC(=O)NC1CC(CNC(=O)Cn2ccnc2)C1 1755934665 LHBQXVCQYQGOCV-UHFFFAOYSA-N 318.377 -0.066 30 20 DBED C#CCCCC(=O)N[C@@H](C)[C@@H](C)NC(=O)CN1C(=O)CNC1=O 1755964212 IPQGXZXGZNBMFO-WDEREUQCSA-N 322.365 -0.649 30 20 DBED C#CCCCC(=O)NC[C@@H](CO)NC(=O)c1cn2c(n1)CCC2 1756514831 AIKDBEPHAMBXMH-LBPRGKRZSA-N 318.377 -0.160 30 20 DBED CCn1ccc(CC(=O)N[C@H](CO)CNC(=O)C#CC2CC2)n1 1756519353 GEXIVGDAOLNOOF-AWEZNQCLSA-N 318.377 -0.548 30 20 DBED Cc1cc(=O)c(C(=O)NC[C@@H](CO)NC(=O)C#CC2CC2)c[nH]1 1756547319 GFGNFYKIFYFWFF-LBPRGKRZSA-N 317.345 -0.696 30 20 DBED C=C[C@@H](CC)CC(=O)N[C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1O 1757025770 RDJBNDIHMPNUBG-DMDPSCGWSA-N 321.381 -0.281 30 20 DBED C=CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(O)[nH]1 1798183564 TWCBTQAGQYMODR-DDFAGTSDSA-N 320.349 -0.105 30 20 DBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCCO3)C2)C1 1839807751 KKAJRBBBOVWBPV-CJNGLKHVSA-N 322.361 -0.745 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 72788873 ZSYNPGGXMFHXSE-MCIONIFRSA-N 305.378 -0.553 30 20 DBED N#Cc1ccc(S(=O)(=O)N2C[C@@H](O)[C@H](O)C2)c(Cl)c1 236531632 QPKFUPLSTYCKID-NXEZZACHSA-N 302.739 -0.062 30 20 DBED C=CCN(CC(=O)NCCC(=O)OC)[C@@H]1CCS(=O)(=O)C1 264536887 GMNIZQOKHNSWES-LLVKDONJSA-N 318.395 -0.659 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)NN2CCCNC2=O)cc1 273091965 NYTOKPCUNCEFDJ-UHFFFAOYSA-N 301.306 -0.265 30 20 DBED CCN1CCN(CCNS(=O)(=O)c2cccnc2C#N)CC1 278907266 VLPBOVPZKREHRV-UHFFFAOYSA-N 323.422 -0.131 30 20 DBED COCCN1CCN(C(=O)NCCn2cnc(C#N)n2)CC1 287839104 LDEQILJXYOWUIO-UHFFFAOYSA-N 307.358 -0.877 30 20 DBED Cc1noc([C@H]2CCN(c3c(C#N)c(=O)n(C)c(=O)n3C)C2)n1 328957190 PGJGBIHSSSOOOZ-VIFPVBQESA-N 316.321 -0.359 30 20 DBED CCN1CCOC[C@@H]1C(=O)N1CC[C@H](N/C(O)=N/C2CC2)C1 329441726 BLFIKLGXYIWNSN-QWHCGFSZSA-N 310.398 -0.026 30 20 DBED CC(C)[C@@](C)(C#N)NC(=O)CN1CCN2C(=O)NC(=O)[C@H]2C1 330515929 WCBVUEDEJSSKTI-QMTHXVAHSA-N 307.354 -0.723 30 20 DBED CCN([C@@H](C)CS(C)(=O)=O)S(=O)(=O)N(C)CCC#N 332427597 AMXVGGHKHJUXGA-JTQLQIEISA-N 311.429 -0.168 30 20 DBED Cc1nnc([C@@H](C)NS(=O)(=O)N2CCO[C@H](C#N)C2)s1 336946040 NZCWBBMQLDSCQX-VXNVDRBHSA-N 317.396 -0.034 30 20 DBED Cn1c(NCCC(=O)NC(C)(C)C)c(C#N)c(=O)n(C)c1=O 341799119 MPAAQXOGPMHCOV-UHFFFAOYSA-N 307.354 -0.328 30 20 DBED CCCN1CCC[C@H]1CNS(=O)(=O)N1CCO[C@H](C#N)C1 352513067 URMXJCHPHKLJSG-QWHCGFSZSA-N 316.427 -0.080 30 20 DBED COCC[C@H](NS(=O)(=O)N(C)[C@H](C)CC#N)C(=O)OC 352586054 LVNKHRSIUAEBJV-ZJUUUORDSA-N 307.372 -0.367 30 20 DBED N#CCN1CCN(C(=O)CNC(=O)c2ccc(C#N)cc2)CC1 353415527 DYYULAUAMVVQHH-UHFFFAOYSA-N 311.345 -0.044 30 20 DBED CC[C@@H](C)[C@@H](NC(=O)CC#N)C(=O)NCCN1CCOCC1 356088054 DIWRFGVBZWQNIB-TZMCWYRMSA-N 310.398 -0.121 30 20 DBED Cn1c(O)ncc(C(=O)NCC(=O)c2ccc(C#N)cc2)c1=O 356166384 PTLUSQJASVSXNF-UHFFFAOYSA-N 312.285 -0.030 30 20 DBED C=CC[C@H](CO)CNC(=O)C(=O)Nc1cn(C)c(=O)cc1C 359504222 PASBNYVFHBNWGH-NSHDSACASA-N 307.350 -0.067 30 20 DBED C#CCCCC(=O)N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 370070727 CDHXSWMVDQTQBK-STQMWFEESA-N 314.407 -0.596 30 20 DBED CCS(=O)(=O)N1CCN(C(=O)[C@@H](N)CCCC#N)CC1 424089751 WLSYKANYGCQAFJ-NSHDSACASA-N 302.400 -0.499 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C 491266842 QXQLVGYEHBXNJT-QWHCGFSZSA-N 305.378 -0.299 30 20 DBED C=CCOC[C@H](NC(=O)[C@H](C)N1C(=O)CCC1=O)C(=O)OC 559596875 MOHRNYOYPVCJMK-UWVGGRQHSA-N 312.322 -0.616 30 20 DBED COCCNC(=O)CN1CCN(Cc2ccc(C#N)cn2)CC1 562371979 QRVFUVUGMAGEQL-UHFFFAOYSA-N 317.393 -0.167 30 20 DBED C[C@@H]1CC(=O)NCCN1C(=O)C(=O)Nc1cccc(C#N)n1 592286859 CILCOKVZGVAJOL-SECBINFHSA-N 301.306 -0.371 30 20 DBED COCC(=O)N(C)CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 611147484 RXFMQHOGCPFFMH-ZDUSSCGKSA-N 310.398 -0.216 30 20 DBED C=CCN1CCC(NC(=O)[C@H]2CCN(C)S2(=O)=O)CC1 648773400 HPJUZJGCKJLQLR-GFCCVEGCSA-N 301.412 -0.213 30 20 DBED Cc1ccc(C)c2c1NC(=O)C2=NNC(=S)NCC(N)=O 731930003 OUJQYAPBVARCHY-UHFFFAOYSA-N 305.363 -0.091 30 20 DBED C[C@H](NC(=O)CNS(=O)(=O)c1cccc(C#N)c1)C(=O)O 738223301 SMAPTDURYQCSAQ-QMMMGPOBSA-N 311.319 -0.574 30 20 DBED Cc1cccc(S(=O)(=O)NCC(=O)NCC(=O)O)c1C#N 749753996 FNQPPRSMEKJRNJ-UHFFFAOYSA-N 311.319 -0.654 30 20 DBED C#C[C@H](NC(=O)NCCOCCS(C)(=O)=O)[C@@H]1CCCO1 773321755 LLYGGKSDSPNPHZ-RYUDHWBXSA-N 318.395 -0.472 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)CCCCNC(N)=O 785570579 AVQSJVHMFTYFCI-VIFPVBQESA-N 314.342 -0.232 30 20 DBED C#C[C@H](NC(=O)NC[C@@H](O)COCCOCC)[C@H]1CCCO1 790503197 SSPKQONJPONQQQ-HZSPNIEDSA-N 314.382 -0.120 30 20 DBED CNS(=O)(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 795926807 UMPUPOVTRQDKJA-DTWKUNHWSA-N 304.372 -0.201 30 20 DBED C#CCC[C@H](O)CNC(=O)NCCCN(CC)S(C)(=O)=O 798383048 HMDSHAPUOFECIO-LBPRGKRZSA-N 319.427 -0.269 30 20 DBED CCN(CCC#N)S(=O)(=O)NN1C(=O)N[C@@](C)(CC)C1=O 808309525 LQYXZEUOWZJFGK-NSHDSACASA-N 317.371 -0.308 30 20 DBED CC(=O)N1CC(C(=O)NS(=O)(=O)c2cncc(C#N)c2)C1 813985028 KLPRRGLJZDNMDI-UHFFFAOYSA-N 308.319 -0.764 30 20 DBED COc1ccc2c(c1OC)OCC2=NNC(=S)NCC(N)=O 814845443 XOYFSNCRLTXZOY-UHFFFAOYSA-N 324.362 -0.250 30 20 DBED CCOC(=O)CON=C(C(=O)N[C@H]1C[C@@H](O)C1)c1cc[nH]n1 830555497 XEUJGJATRDDODW-DTORHVGOSA-N 310.310 -0.667 30 20 DBED C#CCOc1ccccc1NC(=O)C(=O)NCCNCCOC 841203289 LICVJJNSLJWVGY-UHFFFAOYSA-N 319.361 -0.011 30 20 DBED C#CC[C@@H](NS(=O)(=O)c1cnn(CC(F)F)c1)C(=O)OC 841542163 XMIDRBJXAYSHHU-SECBINFHSA-N 321.305 -0.009 30 20 DBED C/N=C(/NCCN1CCOCC1)NCCN1CCO[C@@H](C)C1 848999524 NTKDUAKGAHOZSQ-AWEZNQCLSA-N 313.446 -0.796 30 20 DBED CO[C@@]1(C)C[C@H]1NC(=O)NCCN/C(O)=C1/N=CC=CC1=O 853712610 IYWACNULXLCPBG-JCMDJOBYSA-N 308.338 -0.011 30 20 DBED CCOC(=O)CNC(=O)[C@H]1COCCN1C(=O)C#CC1CC1 854383136 XDGGZKVOSVCLEX-GFCCVEGCSA-N 308.334 -0.694 30 20 DBED CCC#CCOC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 893832576 AVIUHFRMBILLAM-UHFFFAOYSA-N 318.333 -0.220 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2[C@H]3CCC(=O)[C@H]32)CC1 906553837 BEIPEDOKNAOPOF-TUKIKUTGSA-N 303.362 -0.895 30 20 DBED CCN(CCC#N)S(=O)(=O)N[C@@H](C)[C@@H]1CN(C)CCN1C 919991244 UWQQZDRVKUODMT-STQMWFEESA-N 317.459 -0.309 30 20 DBED C#CC[C@H](CO)NC(=O)N[C@H]1CCOC[C@@H]1OCCOC 922070878 OHHATQXBAIHKEK-AGIUHOORSA-N 300.355 -0.510 30 20 DBED C#CC1(O)CN(C(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)C1 930662672 YXRMROUOSMDXIR-UHFFFAOYSA-N 313.317 -0.217 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H](NC(=O)c3cnn[nH]3)C2)nn1 938243119 XMJZMWJVKAKVSM-VIFPVBQESA-N 316.325 -0.773 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCN(C(=O)[C@H]3CCOC3)C2)nn1 940505005 OPHQFEXNNXZAAC-NWDGAFQWSA-N 319.365 -0.169 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)c2cnccn2)C1 944457670 LMNRHHUZXMLWLL-MNOVXSKESA-N 303.322 -0.407 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2CN(C(=O)COC)CCO2)nc1 944696002 ZMOFAONTYMNZEF-CYBMUJFWSA-N 317.345 -0.334 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCN(C(=O)Cn3cncn3)CC2)C1 945062726 CGROCUIFEIQLQV-LBPRGKRZSA-N 316.365 -0.111 30 20 DBED Cn1cnc(C(=O)N[C@]2(C)CCN(C(=O)C#CC3CC3)C2)n1 956888258 FLQCXNSKESGHSR-OAHLLOKOSA-N 301.350 -0.051 30 20 DBED C=CCN1C[C@@H](O)[C@@H](CNC(=O)c2ccn(CCN(C)C)n2)C1 958077581 WQNYHJMDIAMTMN-DZGCQCFKSA-N 321.425 -0.347 30 20 DBED C#CCCN1C[C@H](O)[C@H](CNC(=O)c2ccnc3[nH]nnc23)C1 958248919 QIGUMELAGBTNRC-PWSUYJOCSA-N 314.349 -0.601 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cnc3c(c2)ncn3C)C1 958316992 QNJPFTPDQGPEKI-GXTWGEPZSA-N 313.361 -0.376 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)C(N)=O)C[C@H]2C)cn1 958342535 DJWUCUHXWINFSE-BXKDBHETSA-N 300.318 -0.875 30 20 DBED C=CCCN1C[C@@H](O)[C@@H](CNC(=O)c2cccn(C)c2=O)C1 958595448 RJHDABKWLJVXEO-GXTWGEPZSA-N 305.378 -0.016 30 20 DBED N#CCN1C[C@@H]2C(NC(=O)c3ccc(-n4ccnc4)nn3)[C@H]2C1 962021954 QHDCNFWJEGOHIW-QWRGUYRKSA-N 309.333 -0.154 30 20 DBED C[C@H](C#N)C(=O)N1CC2(C[C@@H](NC(=O)c3ncc[nH]3)CO2)C1 965692234 WCJAMKQHVBWLPO-NXEZZACHSA-N 303.322 -0.331 30 20 DBED O=C(N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O)c1csnn1 969155204 WMLIXTGCHVZERF-KOLCDFICSA-N 306.347 -0.747 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)cn1 969351163 IFPCQBDOPCPEDS-HONMWMINSA-N 312.329 -0.476 30 20 DBED Cc1c[nH]c(CC(N)=O)c1C(=O)N[C@@H](C)C1CN(CC#N)C1 970459146 IXTJDGQIIFCJNC-JTQLQIEISA-N 303.366 -0.075 30 20 DBED N#Cc1cc(C(=O)N2C[C@H]3CCN(C(=O)C(N)=O)C[C@H]32)c[nH]1 971876611 OBBZDFJQKHLVIM-LDYMZIIASA-N 301.306 -0.955 30 20 DBED CC(=O)N1CC[C@@H](C(=O)N2CC[C@]3(CN(CC#N)CCO3)C2)C1 972657236 YIEDCIULNBGZEK-ZBFHGGJFSA-N 320.393 -0.318 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)c3cnn(C)n3)[C@@H]2C1 974526324 QPHUQTYBRCKTKP-HOSYDEDBSA-N 302.338 -0.352 30 20 DBED CN1C[C@H](C(=O)N(C)C[C@H]2CCN2C(=O)C#CC2CC2)NC1=O 978148503 QONGIFGDWNLVTN-CHWSQXEVSA-N 318.377 -0.517 30 20 DBED C#CCN1C[C@H]2C(CNC(=O)c3nc(O)nc(O)c3OC)[C@@H]2C1 978940022 JLMYGSZRLWZTJR-UWVGGRQHSA-N 318.333 -0.563 30 20 DBED N#CCN[C@H]1CCC[C@@H](NC(=O)CN2CCCS2(=O)=O)C1 981124640 LBVYISNPDWIGIT-NWDGAFQWSA-N 314.411 -0.438 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](CNCc2nnnn2C)C1 984825394 YBNVFIYNDZXRNB-LPWJVIDDSA-N 320.397 -0.214 30 20 DBED C=CCN(C)C1CCN(C(=O)CN2C(=O)CN(C)C2=O)CC1 985780612 AKJJKOCMPGUEJL-UHFFFAOYSA-N 308.382 -0.011 30 20 DBED Cn1nccc1CC(=O)N1CC(NC(=O)c2cc(C#N)c[nH]2)C1 990696272 QRTURCLOUOCHTB-UHFFFAOYSA-N 312.333 -0.197 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC(NC(=O)c2nc(C)c[nH]2)C1 991984610 DZWJKJVIZDAUPH-ZDUSSCGKSA-N 315.377 -0.244 30 20 DBED O=C(NC1CN(C(=O)C#CC2CC2)C1)[C@@H]1CCCS1(=O)=O 992542293 MATNRFAXOGMKSL-LBPRGKRZSA-N 310.375 -0.696 30 20 DBED C#CCNC1CCN(C(=O)c2cn(CC(=O)N(C)C)nn2)CC1 997366603 CXVQAANVXACKQH-UHFFFAOYSA-N 318.381 -0.806 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC(NC(=O)Cc2ncc[nH]2)C1 998393310 XETCWZHRKIOPSD-ZDUSSCGKSA-N 315.377 -0.623 30 20 DBED CN(C)[C@H](Cn1cccn1)C(=O)N1CCC[C@@H](NCC#N)C1 999352065 ICLYDLHNTUDLGS-ZIAGYGMSSA-N 304.398 -0.083 30 20 DBED C=C(Cl)CN1CCC(NC(=O)CN2CCNC(=O)C2)CC1 1003424989 YGTZRFNKCRIAON-UHFFFAOYSA-N 314.817 -0.249 30 20 DBED C[C@H](NC(=O)c1nc[nH]n1)C1CN(C(=O)c2ccc(C#N)[nH]2)C1 1006613303 KCINAYHJVMKKKI-QMMMGPOBSA-N 313.321 -0.105 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2C(CNC(=O)c3cnn(C)c3N)[C@H]2C1 1008964315 FOYFMWPKLQEZNY-GGZOMVNGSA-N 316.365 -0.404 30 20 DBED Cn1nncc1C(=O)N1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 1010925256 MJKPFHURZZCPCJ-UHFFFAOYSA-N 313.321 -0.387 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2C(NC(=O)Cc3cncn3C)[C@@H]2C1 1013443724 CUFXBQTVXHPMCP-YUSALJHKSA-N 301.350 -0.305 30 20 DBED C=C(Cl)CN1CC[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 1014770110 OKFRBMFFRUAWSC-BDAKNGLRSA-N 300.746 -0.473 30 20 DBED N#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)CCn1cc[nH]c(=O)c1=O 1018069363 PQAKVESAZBAPSQ-TXEJJXNPSA-N 317.349 -0.875 30 20 DBED N#CCN[C@H]1CCN(C(=O)[C@@H]2COCCN2CC(F)F)C1 1019192336 GJKIXLSTBFGAOD-QWRGUYRKSA-N 302.325 -0.334 30 20 DBED C#CCN[C@H]1C[C@H](NC(=O)Cn2nc3n(c2=O)CCCC3)C1 1020890145 ZPDJDZOVWUAFKL-HAQNSBGRSA-N 303.366 -0.749 30 20 DBED C#Cc1ccc(C(=O)N2C[C@@H]3[C@@H](CC[C@H]3NCC(N)=O)C2)cn1 1026402129 HNQDUERWAIXHEW-NWANDNLSSA-N 312.373 -0.012 30 20 DBED O=C1CC[C@@H](NC[C@H]2CCN(C(=O)C#CC3CC3)C2)C(=O)N1 1026835388 WPYKUPPZAULPDD-CHWSQXEVSA-N 303.362 -0.357 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)[C@H](C)n3cncn3)C2)C1=O 1030233410 FJXPDFNYFUSOMQ-AAEUAGOBSA-N 318.381 -0.574 30 20 DBED C#CCCN1CC[C@@H](N(C)C(=O)CN2CCC(=O)NC2=O)C1 1033556593 FCZYJKVBERDNEF-GFCCVEGCSA-N 306.366 -0.516 30 20 DBED C#CCCN1CC[C@@H](N(CC)C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 1033980343 WLFVHDDVJFZVLT-NEPJUHHUSA-N 306.366 -0.469 30 20 DBED C#CCCN1CCCC[C@@H](NC(=O)CN2CCN(C)C(=O)C2)C1 1034279258 QOSQDOGTPNTZFF-OAHLLOKOSA-N 320.437 -0.246 30 20 DBED CC#CCN1CCO[C@H](CNC(=O)c2ncc(OC)cn2)C1 1035437365 DLUMEHBBSCFQJU-CYBMUJFWSA-N 304.350 -0.061 30 20 DBED C=CCN1CC2(CCN(C(=O)[C@H]3CCS(=O)(=O)N3)CC2)C1 1035853811 CIWYGYPDFUBAFL-GFCCVEGCSA-N 313.423 -0.212 30 20 DBED C#CCCN1CC[C@@H]1CNC(=O)C1CC2(C1)NC(=O)NC2=O 1038802121 RPXXBGLOMIUHOK-LOIXOFCESA-N 304.350 -0.812 30 20 DBED O=C(NC[C@]1(O)CCN(C(=O)C#CC2CC2)C1)c1ncc[nH]1 1039660034 NPPOIPHAPGBGNB-OAHLLOKOSA-N 302.334 -0.484 30 20 DBED C#CCOCCC(=O)NC[C@]1(O)CCN(C(=O)C(C)(F)F)C1 1039718475 ASZIRVIYEKBXKU-CQSZACIVSA-N 318.320 -0.239 30 20 DBED CC(C)C#CC(=O)N1CC[C@](O)(CNC(=O)[C@H]2CCOC2)C1 1040051352 ZPOGKJSXHYSMKX-BBRMVZONSA-N 308.378 -0.238 30 20 DBED C[C@H]1[C@@H](Nc2nccnc2C#N)CCN1C(=O)[C@@H]1CCNC1=O 1040213731 WVBULOZKXWJCOP-AXFHLTTASA-N 314.349 -0.114 30 20 DBED C=C1CC(C)(C(=O)N2CC[C@](O)(CNC(=O)c3cnn[nH]3)C2)C1 1040267056 AJFYMKRIBCLDJR-HNNXBMFYSA-N 319.365 -0.146 30 20 DBED N#Cc1nccnc1N1C[C@@H]2CCN(C(=O)c3nc[nH]n3)[C@@H]2C1 1040685096 GCWQQGQKWQHYJJ-GXSJLCMTSA-N 310.321 -0.183 30 20 DBED C=CCCC(=O)N1CC[C@](O)(CNC(=O)CCn2cnnn2)C1 1040686192 HETWWDHWEKZRGM-AWEZNQCLSA-N 322.369 -0.891 30 20 DBED C=CCCCC(=O)NC[C@]1(O)CCN(C(=O)c2nnn(C)n2)C1 1040730124 WQKKKVIXQJDPFH-CQSZACIVSA-N 322.369 -0.740 30 20 DBED Cn1nccc1C(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1O 1040943882 FKRDSGNBPPYKCF-ZYHUDNBSSA-N 313.321 -0.939 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)c2ccoc2)C1 1041460960 XNXCUGBLOGSERM-LLVKDONJSA-N 306.318 -0.379 30 20 DBED C=CCCOCC(=O)N1CC(O)(CNC(=O)c2ncoc2C)C1 1041818136 JILMCEIZUWUENT-UHFFFAOYSA-N 323.349 -0.121 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)c2cncnc2C)C1 1042039668 GZAWDHMCPYEWEI-UHFFFAOYSA-N 320.349 -0.709 30 20 DBED CO[C@@H]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)C#CC3CC3)C2)C1 1042963342 MCNZNQQXTXVCNR-ZIAGYGMSSA-N 320.389 -0.096 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)[C@H]2CC[C@@H]2C(N)=O)C1 1044425639 DLOHQNBASLTDDE-QWRGUYRKSA-N 309.366 -0.846 30 20 DBED C=C(C)C(C)(C)C(=O)N1CC(O)(CNC(=O)[C@@H]2CCNC2=O)C1 1044455677 IQYFWEPMMVLHJN-LLVKDONJSA-N 323.393 -0.586 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)c3ccnnc3)C2)nc1 1044576769 NWOBZCSGIVSXPO-OLZOCXBDSA-N 310.317 -0.277 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1CN(CCCO)C[C@@H]1O 1047561285 AOQNSQISYJVRQC-AJNGGQMLSA-N 312.410 -0.147 30 20 DBED Cn1nnc(CN2C[C@H]3CN(C(=O)C#CC4CC4)C[C@H]3C2)n1 1048810424 MGWIEWDQYNOOSR-BETUJISGSA-N 300.366 -0.486 30 20 DBED C=CCCN1C[C@H]2CN(C(=O)[C@H]3CCS(=O)(=O)N3)C[C@H]2C1 1049220028 HHGNVGQNUUYZOA-FRRDWIJNSA-N 313.423 -0.356 30 20 DBED CC#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cnon2)C1 1049295947 GOJIAOBDUFTIAM-STQMWFEESA-N 320.349 -0.093 30 20 DBED Cc1cc(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)C#N)C2)cnn1 1049395274 RVPGOIVLPGJSFD-ICCXJUOJSA-N 317.349 -0.412 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2COCCN2C[C@H](C)O)cn1 1051211759 HEGVUJXCBIFWIY-WFASDCNBSA-N 303.362 -0.126 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2COCCN2CC(=O)NC)nc1 1051215025 RSXXNNQMFMEJGY-CYBMUJFWSA-N 316.361 -0.761 30 20 DBED N#Cc1ccc(N2CC[C@H](NC(=O)c3cnon3)[C@H](O)C2)nc1 1051720396 XYFWVIVSLBMUSQ-CMPLNLGQSA-N 314.305 -0.294 30 20 DBED C=CCCN1CCN([C@@H]2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)CC1 1052085478 FRXCNBWMKLFQRH-KFWWJZLASA-N 320.437 -0.098 30 20 DBED CNC(=O)NCC(=O)N1C[C@H](CNC(=O)C#CC2CC2)[C@@H](C)C1 1052775057 APEQUDZYDTZZAG-AAEUAGOBSA-N 320.393 -0.461 30 20 DBED C#CCN1CCC[C@H](NC(=O)[C@H]2COCCN2C(C)=O)CC1 1052947369 OKWWPUCSIVCOMB-LSDHHAIUSA-N 307.394 -0.162 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)c1cnnn1CC)CCO2 1053244104 BHZOSPVDRQBNPS-UHFFFAOYSA-N 303.366 -0.152 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCC[C@@](CO)(NC(C)=O)C1 1055679372 XHNRTVKBHZZKOF-GOEBONIOSA-N 307.394 -0.426 30 20 DBED C[C@]1(C(=O)N2CCN(c3ccc(C#N)nn3)CC2)CNC(=O)C1 1055963275 VRJWAEYYSXJKQM-OAHLLOKOSA-N 314.349 -0.477 30 20 DBED Cn1ccc(CC(=O)NC2[C@H]3CN(c4cnc(C#N)cn4)C[C@H]23)n1 1056201187 AOTLQQUBKWLEAB-STQMWFEESA-N 323.360 -0.125 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)[C@H]1CN(C)CCO1 1057171368 YNLVHSQAPXNBGF-CYBMUJFWSA-N 313.398 -0.780 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)CN1CCCC1 1057198277 VGJDPRIOAQJJRF-UHFFFAOYSA-N 313.398 -0.778 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)c1cccnn1 1057441154 CEVRHWKAMMGOMN-UHFFFAOYSA-N 304.350 -0.169 30 20 DBED N#Cc1nc(=N[C@@H]2CCCN(C(=O)[C@@H]3CCC(=O)N3)C2)cc[nH]1 1057673190 UPQAFXWKXGDDIT-MNOVXSKESA-N 314.349 -0.548 30 20 DBED Cn1cc(C(=O)NC2CCN(c3ccnc(C#N)n3)CC2)nn1 1057865873 FOUQFXDQZMJJQO-UHFFFAOYSA-N 312.337 -0.124 30 20 DBED Cc1nc[nH]c1CC(=O)N(CCO)CCNC(=O)[C@H](C)C#N 1058261785 GMYAPXSBSJFVKS-SNVBAGLBSA-N 307.354 -0.643 30 20 DBED N#Cc1cncc(N2CC[C@@H](NC(=O)CN3CCOCC3)C2)n1 1058324606 OMJINUICIKBVLB-GFCCVEGCSA-N 316.365 -0.625 30 20 DBED CN1C[C@@H](C(=O)N[C@@H]2CCN(c3cnc(C#N)cn3)C2)CC1=O 1058578339 RMZPFECSVJQTPJ-WDEREUQCSA-N 314.349 -0.479 30 20 DBED N#Cc1nc(=N[C@H]2C[C@H](NC(=O)c3cnnc(O)c3)C2)cc[nH]1 1059328407 ARHKEZVKVUKHOP-MGCOHNPYSA-N 311.305 -0.361 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCOC[C@H]1CNC(=O)c1ncc[nH]1 1061557785 CLNFGRKYYOAXQA-ABAIWWIYSA-N 322.365 -0.306 30 20 DBED C=CCCOCC(=O)NC[C@H]1COCCN1C(=O)CCOC 1061667128 ZNHKMDLUIQWKRJ-ZDUSSCGKSA-N 314.382 -0.041 30 20 DBED C=CC(C)(C)C(=O)NC[C@@H]1COCCN1C(=O)[C@H]1CCNC1=O 1061755211 DDWXABRXTIPGQF-NEPJUHHUSA-N 323.393 -0.322 30 20 DBED C#CCCCC(=O)NC1(CNC(=O)Cn2ncnn2)CCC1 1063147021 VLHAQCOKIMBHBY-UHFFFAOYSA-N 304.354 -0.368 30 20 DBED C[C@@H]1C[C@H](N=c2cc[nH]c(C#N)n2)CCN1C(=O)CC(N)=O 1064747257 JRFUUZGGZNOZAC-NXEZZACHSA-N 302.338 -0.563 30 20 DBED C=CCCC(=O)N1CCO[C@@H](CNC(=O)C2(NC(N)=O)CC2)C1 1064956026 POQBKNXRZBABCV-NSHDSACASA-N 324.381 -0.503 30 20 DBED CC(C)C#CC(=O)N1CCO[C@@H](CNC(=O)[C@H]2COCCO2)C1 1065128932 HCHQCKZGBHCFFX-UONOGXRCSA-N 324.377 -0.595 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCO[C@@H](CNC(=O)c2cocn2)C1 1065153497 XJUQCTKOVJVYST-RYUDHWBXSA-N 321.333 -0.330 30 20 DBED Cc1nonc1CC(=O)N1CCO[C@@H](CNC(=O)[C@@H](C)C#N)C1 1065563383 ADLPTFKMNJIUKT-ONGXEEELSA-N 321.337 -0.576 30 20 DBED C#CCNC(=O)CC(=O)N(C)CCCN(C)C(=O)CCOC 1066567196 QLNSWJTVHYEAGM-UHFFFAOYSA-N 311.382 -0.531 30 20 DBED CC[C@@H](OC)C(=O)N1CCO[C@@H](CN=c2cc[nH]c(C#N)n2)C1 1066602514 PLTSKDCDZQPXBY-NWDGAFQWSA-N 319.365 -0.166 30 20 DBED Cc1cc(C#N)nc(N2CC[C@H](NC(=O)C(N)=O)C[C@H]2C)n1 1067566587 VIGROQSFYSXZHH-ZJUUUORDSA-N 302.338 -0.385 30 20 DBED C#CCCCC(=O)N[C@H]1COC2(C1)CN(C(=O)c1cnon1)C2 1068836587 JNGIABFCKBZIIM-LLVKDONJSA-N 318.333 -0.027 30 20 DBED CCNC(=O)CC(=O)N1CC2(C[C@H](NC(=O)[C@@H](C)C#N)CO2)C1 1069004665 YFCJEZLKEIBTSW-QWRGUYRKSA-N 322.365 -0.842 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1 1070596946 CXNJWAXPGQKSOI-LLVKDONJSA-N 317.349 -0.257 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)c2[nH]c(C)nc2C)CC1 1071000316 XLRKCLICUNKANB-UHFFFAOYSA-N 317.393 -0.076 30 20 DBED C#CCN1CC[C@@]2(C1)CN(C(=O)C(C)(C)C(N)=O)C[C@@H](C)O2 1071178072 KIWZXPVVJOFSRM-MLGOLLRUSA-N 307.394 -0.177 30 20 DBED C=CCOCC(=O)N1C[C@@H](NC(=O)C2(C(=O)NC)CC2)[C@H](C)C1 1071809550 WEADBBKTVGJJQC-VXGBXAGGSA-N 323.393 -0.322 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1C 1072010079 GCOVEXANRCHQCO-GHMZBOCLSA-N 307.354 -0.406 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)c2cn(C)c(O)n2)C[C@@H]1C 1072675194 STCXYSGLQNEGRF-WDEREUQCSA-N 322.365 -0.095 30 20 DBED CC(=O)N1CCC[C@H]1C(=O)NC[C@@H]1CN(CC#N)CCCO1 1073863069 FGHOKYLTQISQDL-KGLIPLIRSA-N 308.382 -0.272 30 20 DBED CN(C)C(=O)CN1CCO[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21 1074235438 GKIKTYBEYIYCKR-LSDHHAIUSA-N 319.405 -0.210 30 20 DBED C[C@H](C#N)C(=O)N1CCC(O)(CNC(=O)[C@@H]2[C@H]3COC[C@H]32)CC1 1074706927 RQBKYDYTUITNQZ-NDBYEHHHSA-N 321.377 -0.492 30 20 DBED C=CCN1CC[C@@H](N2C[C@@H](O)[C@H](NC(=O)C3(C)CC3)C2)C1=O 1077038285 ZPYFCZJDTSCNLO-JHJVBQTASA-N 307.394 -0.265 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)C1 1077086591 ZFTOCCMOWOUILH-BFHYXJOUSA-N 321.421 -0.182 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)[C@H](C)N2C(=O)CCC2=O)C1 1077087713 QWKBLMMURKZDTG-QJPTWQEYSA-N 309.366 -0.739 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2ccc3nc(O)[nH]c3c2)C1 1077753706 SVSIUOCWSHHAIG-VXGBXAGGSA-N 301.306 -0.433 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3nncn3C2)C1 1078219670 JNUZDTJDGPWQRB-JHJVBQTASA-N 305.382 -0.422 30 20 DBED C#CCN[C@@H]1C[C@H](NC(=O)CN2C(=O)CNC2=O)C12CCC2 1078804589 XFAGQKDDUXIOEM-MNOVXSKESA-N 304.350 -0.812 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCN(CC(N)=O)CC2)[C@H]2COC[C@H]21 1079228651 UOYOCKDQTBQUBU-FRRDWIJNSA-N 320.393 -0.429 30 20 DBED CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)CS(C)(=O)=O)C1 1080411669 QSPHGFZNNHYQRX-VIFPVBQESA-N 301.368 -0.750 30 20 DBED CSCC(=O)NC[C@@H]1CN(C(=O)CSCC#N)C[C@H]1O 1081237683 RTARUAIVRUZLAV-NXEZZACHSA-N 317.436 -0.458 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)Cc2n[nH]c(C)n2)C[C@H]1O 1081336464 YOKUMBTVQBEERX-NWDGAFQWSA-N 321.381 -0.443 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2cocn2)C[C@H]1O 1081346062 CWBYWCHAGYCCQH-CMPLNLGQSA-N 309.322 -0.574 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)c2ncc[nH]2)C[C@@H]1O 1081441398 IDYJMSLBSVLMHA-NEPJUHHUSA-N 304.350 -0.238 30 20 DBED N#CCSCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2ncc[nH]2)C1 1081452847 LZFGFEBYMPMHSR-ZJUUUORDSA-N 323.378 -0.784 30 20 DBED CC(C)(C)C#CC(=O)NC[C@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1O 1081477477 TWZTXAXRVBBAIV-QWRGUYRKSA-N 319.365 -0.597 30 20 DBED Cc1noc(CN2C[C@H](O)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)n1 1083413996 HGJGEFXLZABMOT-NEPJUHHUSA-N 316.321 -0.447 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)C1 1084024177 VFDQQNNORCJVDI-MNOVXSKESA-N 324.381 -0.946 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)c2ccc(=O)n(CCC)n2)C1 1084047493 HLXFCPUEEHAPGR-KGLIPLIRSA-N 318.377 -0.549 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)c3cc(C(N)=O)cn3C)[C@@H]2C1 1084489378 KQDRDQRXILSHPE-BXUZGUMPSA-N 300.362 -0.097 30 20 DBED CCO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1CNCc1nc(O)n[nH]1 1087035811 NNNIDWYBRSGYEE-GMTAPVOTSA-N 322.369 -0.377 30 20 DBED C#CCN1CCC[C@@H]2[C@@H](NC(=O)Cn3cnnn3)C(C)(C)[C@@H]21 1087271709 WHDMBJKIPNPKRH-MRVWCRGKSA-N 302.382 -0.089 30 20 DBED C#CCCN1CC[C@@H]2CN(C(=O)CN3C(=O)CCC3=O)C[C@@H]2C1 1088195307 XRSGIAQADKSJDG-KGLIPLIRSA-N 317.389 -0.061 30 20 DBED C[C@@H]1CC[C@H](NC(=O)CC(N)=O)CN1c1nccnc1C#N 1089128195 VIVHIWDNDVBTPA-ZJUUUORDSA-N 302.338 -0.303 30 20 DBED CC#CCN1C[C@H]2[C@@H]3CC[C@@H](CN3C(=O)Cn3ncnn3)[C@H]2C1 1089816885 QLOPRHSAIDBJRD-YJNKXOJESA-N 314.393 -0.135 30 20 DBED N#CCN1CC[C@@H](NC(=O)Cn2ccc(C(F)F)n2)[C@H](O)C1 1090314969 GPYNWVWWPINIDE-MWLCHTKSSA-N 313.308 -0.104 30 20 DBED C=CCN1CC[C@H](NC(=O)c2cncc(C(N)=O)c2)[C@H](O)C1 1090822547 BGYKZDMHLKFVHV-QWHCGFSZSA-N 304.350 -0.469 30 20 DBED Cc1cc(N2C[C@H](O)[C@H](NC(=O)[C@@H](C)C#N)C2)nc(CO)n1 1091082482 GBPGCXUHNRAKAQ-GDPRMGEGSA-N 305.338 -0.897 30 20 DBED Cc1cc(C#N)nc(N[C@H]2C[C@H](CNC(=O)CC(N)=O)C2)n1 1091443201 SMRKZDVELOIHIX-MGCOHNPYSA-N 302.338 -0.161 30 20 DBED CNC(=O)NCC(=O)NC[C@H]1C[C@H](Nc2cncc(C#N)n2)C1 1091520714 UQAULTQFPIHOFT-MGCOHNPYSA-N 317.353 -0.416 30 20 DBED C#Cc1ccc(C(=O)N2C[C@H]3CN(CC(N)=O)C[C@@]3(C)C2)cn1 1092211262 BAVKKUYDPQLHMG-DYVFJYSZSA-N 312.373 -0.058 30 20 DBED COCCOCC(=O)N1CCN(c2ccnc(C#N)n2)CC1 1093151609 WHHKYXJNPOXYRT-UHFFFAOYSA-N 305.338 -0.340 30 20 DBED COC(=O)NCC(=O)N[C@H]1[C@@H]2CN(c3cncc(C#N)n3)C[C@@H]21 1093238553 DOLQVTWJAFCMQF-IWIIMEHWSA-N 316.321 -0.745 30 20 DBED C[C@@H]1C[C@H](C(=O)NCCNc2ccc(C#N)nn2)CC(=O)N1 1093983152 SCARMYGHYBQTJE-ZJUUUORDSA-N 302.338 -0.209 30 20 DBED Cn1ccc(C(=O)N2CCN(CC#N)[C@H]3CS(=O)(=O)C[C@H]32)c1 1094623357 XSKXHWVSLSFKDH-QWHCGFSZSA-N 322.390 -0.528 30 20 DBED N#CCN1CC(N2C[C@H](NC(=O)c3ccnc(O)c3)CC2=O)C1 1094723057 CYDBJFBQUGFAMS-LLVKDONJSA-N 315.333 -0.674 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)c3ccc(O)nc3)CC2=O)C1 1094813060 ASAOOFSTCPKZCX-GFCCVEGCSA-N 316.361 -0.012 30 20 DBED N#Cc1ccc(N[C@@H](CNC(=O)[C@H]2CNC(=O)N2)C2CC2)nc1 1096801111 UWLNVIOUDXHMIB-NWDGAFQWSA-N 314.349 -0.059 30 20 DBED N#Cc1ccc(N[C@H]2C[C@@H](NC(=O)C(=O)NCC3CC3)C2)nn1 1097209475 CMIRSIDLKVEGMX-TXEJJXNPSA-N 314.349 -0.066 30 20 DBED C[C@H](CNC(=O)c1cn(C)ccc1=O)N=c1cc[nH]c(C#N)n1 1098409818 WKYHHHNUBJFJLE-SNVBAGLBSA-N 312.333 -0.301 30 20 DBED C[C@@H]1CN(C(=O)[C@H]2CCNC2=O)CC2(CCN(CC#N)CC2)O1 1098619849 NRWNQZIJSRLKKU-OLZOCXBDSA-N 320.393 -0.272 30 20 DBED C[C@H](CCNC(=O)CCn1ccnn1)N=c1cc[nH]c(C#N)n1 1099011559 YGLSJJJSSTUHJK-LLVKDONJSA-N 314.353 -0.241 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(Cc2nncn2C)C[C@@H]1O 1099740726 IRJLAHWJTMLQMM-NEPJUHHUSA-N 309.370 -0.931 30 20 DBED C=CCCN1CC[C@@H](NC(=O)CCNC(=O)COC)[C@@H](O)C1 1099863925 ORRZFFUQOWYXJY-OLZOCXBDSA-N 313.398 -0.733 30 20 DBED CN(CCNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc(C#N)nc1 1100227556 ZMQVZLWKCCUNIF-NSHDSACASA-N 322.390 -0.060 30 20 DBED N#CCNC(=O)CNC1CC(CNC(=O)c2n[nH]cc2F)C1 1100653131 RGUYGZQPRUQUEY-UHFFFAOYSA-N 308.317 -0.713 30 20 DBED N#Cc1nccnc1N1CC[C@@H](CNC(=O)CCNC(N)=O)C1 1100980174 LQZAENYEJOAGQY-JTQLQIEISA-N 317.353 -0.651 30 20 DBED COCC#CCNC1CC(CNC(=O)[C@H](C)N2CCOCC2)C1 1101080309 JENJVCDBZGOWFI-FHERZECASA-N 323.437 -0.159 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CN(C(=O)COCC=C)C[C@]2(C)C1 1101173360 SOSVCIVJLHCSJG-PBHICJAKSA-N 319.405 -0.281 30 20 DBED CN1CCO[C@H](C(=O)N(C)CCNc2ccc(C#N)nn2)C1 1101538347 TZRMSYCZCFCOOV-LBPRGKRZSA-N 304.354 -0.451 30 20 DBED CN(CCNc1cncc(C#N)n1)C(=O)c1ccc(=O)n(C)n1 1101613060 CBVBCEDQOVDUEH-UHFFFAOYSA-N 313.321 -0.374 30 20 DBED N#Cc1nc(=NCc2ccc(CNC(=O)CC(N)=O)cc2)cc[nH]1 1103661060 XXXYZWFTSHPKSA-UHFFFAOYSA-N 324.344 -0.126 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)C[C@@H]1COC(=O)C1 1103947068 KDXOQMONHCGTSX-MNOVXSKESA-N 317.349 -0.112 30 20 DBED C[C@@H](CNc1ccc(C#N)nn1)N(C)C(=O)CCn1cnnn1 1104647243 DUYRVVJQUBWNLG-JTQLQIEISA-N 315.341 -0.316 30 20 DBED C[C@@H]1COCC[C@@H]1C(=O)N1CC(n2cc(CNCC#N)nn2)C1 1105322681 ZPPAGSGNIKKUFA-RISCZKNCSA-N 318.381 -0.053 30 20 DBED Cc1ncncc1C(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1 1105723226 KKOSZOPIITTXHU-JTQLQIEISA-N 313.321 -0.929 30 20 DBED Cn1cc(CC(=O)NC[C@H](O)CNc2ccc(C#N)nn2)cn1 1105783011 RWQDRLYLXNRGFV-GFCCVEGCSA-N 315.337 -0.787 30 20 DBED Cc1c[nH]nc1C(=O)NC[C@H](O)CNc1cncc(C#N)n1 1105825349 CGFLCIIVZONYLX-SNVBAGLBSA-N 301.310 -0.417 30 20 DBED Cc1cc(=NC[C@@H](O)CNC(=O)c2cnn(C)n2)c(C#N)c[nH]1 1105897206 ARFPXPBGJHVFGP-LLVKDONJSA-N 315.337 -0.985 30 20 DBED C#CCOCCC(=O)NC[C@H](O)CNc1cnc(C#N)cn1 1105966956 SDJRBDIBWDEXPC-GFCCVEGCSA-N 303.322 -0.723 30 20 DBED CNC(=O)NCC(=O)N[C@@H](C)CCNc1ccc(C#N)nn1 1106615769 IOVUJGDNRAXASK-VIFPVBQESA-N 305.342 -0.416 30 20 DBED C#CCNC[C@@H]1CN(C(=O)[C@@H]2CCN(C)S2(=O)=O)C[C@H]1C 1106752561 YKGUWPZPIYHXHL-UPJWGTAASA-N 313.423 -0.662 30 20 DBED C#CCOCCC(=O)NCc1cn(C2CN(CC=C)C2)nn1 1107170823 DYYVKVHEUXAHMK-UHFFFAOYSA-N 303.366 -0.023 30 20 DBED N#Cc1cncc(NC/C=C/CNC(=O)[C@@H]2CCNC2=O)n1 1107453433 YLPBWVOVZUTTSA-GXFZAYBSSA-N 300.322 -0.431 30 20 DBED C=CCNC(=O)CN1CCO[C@@](C)(CNC(=O)c2cn[nH]c2)C1 1107766508 UTUZGADRQIWTDW-HNNXBMFYSA-N 321.381 -0.467 30 20 DBED C[C@@H](C#N)C(=O)NC[C@]1(C)CN(CCn2cncn2)CCO1 1107821195 KXEBSRYOBVWTBP-GXTWGEPZSA-N 306.370 -0.355 30 20 DBED C/C=C(/C)C(=O)NC[C@@]1(C)CN(CC(=O)NCC#N)CCO1 1107851692 ATVRGHCNESGHDW-VPRWNFCTSA-N 308.382 -0.201 30 20 DBED C=CCCN1CCO[C@@](C)(CNC(=O)[C@H]2CN(C)C(=O)N2)C1 1108119565 PJVQTAKAVMHYAO-DOMZBBRYSA-N 310.398 -0.207 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CC(=O)N(C2CN(CC=C)C2)C1 1108546138 PBQMOOXXGXUYKF-QWHCGFSZSA-N 305.378 -0.388 30 20 DBED COCC[C@H](C)C(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1 1108591103 STXKDPIDMZEUNV-RYUDHWBXSA-N 308.382 -0.416 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H]1CCCNC1=O 1109427311 ZBULRPWKTCDECR-QPSCCSFWSA-N 319.405 -0.116 30 20 DBED CC(=O)N1CC(C(=O)NCC2(Nc3ccc(C#N)nn3)CC2)C1 1110113487 STTATQCHFACPME-UHFFFAOYSA-N 314.349 -0.113 30 20 DBED Cc1conc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1111231955 ZBELHUXZYOQXKJ-UTUOFQBUSA-N 317.349 -0.042 30 20 DBED N#Cc1ccc(NCCN(CCO)C(=O)[C@@H]2COCCO2)nc1 1111425613 PYWGRLGPHACGFJ-ZDUSSCGKSA-N 320.349 -0.399 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1COCCN1c1cnc(C#N)cn1 1111663488 WSJTVNSWETUBIK-PWSUYJOCSA-N 300.322 -0.171 30 20 DBED CN(CCCN(C)c1ccc(C#N)nn1)C(=O)[C@H]1CCC(=O)N1 1112045464 WWMAWQCZHJOORR-GFCCVEGCSA-N 316.365 -0.088 30 20 DBED COCC#CCN1CCN(C(=O)[C@@]2(C)CCC(=O)NC2)CC1 1113239670 LUDYYIHHGACYCQ-INIZCTEOSA-N 307.394 -0.303 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)c3cnns3)[C@H]2C1 1113945103 PERZYPNSPTVHIE-UXCLJVHYSA-N 321.406 -0.111 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@H](C)OCCCC)[C@H]2C1 1113999666 RHGYTOQVCLLIBZ-TTZDDIAXSA-N 321.421 -0.013 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)c3cn(C)cn3)[C@@H]2C1 1114139992 XWIHDUXZOSXBJI-QJPTWQEYSA-N 317.393 -0.229 30 20 DBED CC#CCCCC(=O)NC1[C@@H]2CN(CC(=O)NC(N)=O)C[C@@H]12 1114718654 SGXFHRPGGOODDG-GHMZBOCLSA-N 306.366 -0.579 30 20 DBED C=C(C)CCN1C[C@@H]2C(NC(=O)C[C@H](NC(C)=O)C(N)=O)[C@H]2C1 1114932286 HXTLLKSKNBNDDA-AVGNSLFASA-N 322.409 -0.621 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3cc(CC)on3)[C@H]2C1 1115132407 HNPNPTIXCHIVHG-RYUDHWBXSA-N 316.361 -0.354 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)[C@H]3CCN(C(C)=O)C3)[C@H]2C1 1115178597 LUUJICIPWSIBET-CAOSSQGBSA-N 319.405 -0.449 30 20 DBED C=CCCOCC(=O)NC1[C@@H]2CN(CC(=O)NC3CC3)C[C@@H]12 1115324080 KVYRBQYOTBXJLK-CHWSQXEVSA-N 307.394 -0.096 30 20 DBED C[C@H](CN(C)C(=O)Cn1cnnc1O)N=c1cc[nH]cc1C#N 1115687521 RWJXVSCDHQZESO-SNVBAGLBSA-N 315.337 -0.369 30 20 DBED Cc1cc(NC(=O)C(=O)N[C@H](CO)C2CC2)nn1CCC#N 1116435807 OFKZDNJZYVKEKM-LLVKDONJSA-N 305.338 -0.069 30 20 DBED CN(CCC#N)C(=O)C(=O)Nc1cccc(OCC(N)=O)c1 1116941368 OHJRGDDKOHNQID-UHFFFAOYSA-N 304.306 -0.139 30 20 DBED C#CCNC(=O)C1CCN(C(=O)CCNC(=O)COC)CC1 1116952137 RPPURWAJLITONX-UHFFFAOYSA-N 309.366 -0.873 30 20 DBED COC[C@@H](C)NC(=O)C(=O)NCCNc1ccc(C#N)cn1 1117421040 QFRYTBTVIKCUQD-SNVBAGLBSA-N 305.338 -0.368 30 20 DBED C=CCN(C(=O)C(=O)NCCOCCS(C)(=O)=O)C1CC1 1117440848 ZNBDQFFQQAVKOP-UHFFFAOYSA-N 318.395 -0.659 30 20 DBED C[C@@H]([C@@H](C)N(C)C(=O)NCC(=O)NCC#N)S(C)(=O)=O 1117478575 XZSITIRQPNINHL-BDAKNGLRSA-N 304.372 -0.911 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)NCC[S@@](=O)C(C)(C)C 1117529214 TZIMDVKSJQYTLF-WVDJIFEKSA-N 304.412 -0.033 30 20 DBED CC(=O)N[C@@H](C)C(=O)NC[C@H](CO)Nc1ncccc1C#N 1121011638 YOEUEJPBUOGIEP-JOYOIKCWSA-N 305.338 -0.633 30 20 DBED Cn1nccc1C(=O)NC[C@@H](CO)Nc1ncccc1C#N 1121177201 HIBFRLSUCLGNCE-NSHDSACASA-N 300.322 -0.110 30 20 DBED Cc1ccnc(C(=O)NC[C@@H](CO)N=c2cc[nH]c(C#N)n2)n1 1121506646 WUCKKEWWCMPUCA-JTQLQIEISA-N 313.321 -0.929 30 20 DBED C[C@@]1(C(=O)NC[C@H](CO)Nc2ncccc2C#N)CNC(=O)C1 1122256796 YFSSZOXKHNPPRK-ABAIWWIYSA-N 317.349 -0.632 30 20 DBED C[C@]1(C(=O)NC[C@H](CO)Nc2ncccc2C#N)CNC(=O)C1 1122256799 YFSSZOXKHNPPRK-IAQYHMDHSA-N 317.349 -0.632 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)[C@H](C)n1cccn1 1123918971 SVSQQAGKGZEMRB-ZDUSSCGKSA-N 320.397 -0.088 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)C1CC=CC1 1124186035 WECNSLVASRUBOC-LBPRGKRZSA-N 301.350 -0.032 30 20 DBED C[C@@H](C#N)C(=O)N(C)C[C@H](O)CNc1ncnc2c1cnn2C 1124191709 OUJLOMUNYYBJAN-VHSXEESVSA-N 317.353 -0.246 30 20 DBED Cc1nn(C)c(C)c1NC(=O)CNCCNC(=O)[C@H](C)C#N 1124908645 OOVRCOWCKGREHY-SECBINFHSA-N 306.370 -0.159 30 20 DBED CNC(=O)CC(=O)N[C@H](CN=c1cc[nH]c(C#N)n1)C(C)(C)C 1125875177 WFNAZUGKSRJJFV-SNVBAGLBSA-N 318.381 -0.151 30 20 DBED N#CCN1CCn2ncc(CNC(=O)CCc3cnn[nH]3)c2C1 1128504404 PGCLKFYBIMTTBU-UHFFFAOYSA-N 314.353 -0.411 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)CCOC)C[C@@H]1n1ccnn1 1129506347 JCSIZHSISPZNQF-KGLIPLIRSA-N 321.381 -0.694 30 20 DBED CC(C)C[C@H](C(=O)NCCNCC(=O)NCC#N)n1ccnc1 1130001395 NFHDZSLXMGDCJH-CYBMUJFWSA-N 320.397 -0.184 30 20 DBED Cc1cn2c(n1)C[C@@H](C(=O)NCCNCC(=O)NCC#N)CC2 1130241149 QPKKFUKSXJBKHW-LBPRGKRZSA-N 318.381 -0.901 30 20 DBED C=CCN1CC[C@H](c2n[nH]cc2CNC(=O)CNC(N)=O)C1 1130342284 FKAGVUOXUIRGBK-JTQLQIEISA-N 306.370 -0.331 30 20 DBED N#CCN1CC[C@H](c2n[nH]cc2CNC(=O)CCNC(N)=O)C1 1130450881 YXHMWYMKKGKTPJ-JTQLQIEISA-N 319.369 -0.603 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1nc2c(s1)CCC2 1131350995 TVXVAJDDQJLNFL-UHFFFAOYSA-N 307.379 -0.409 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)[C@H]1CCN(C)C1=O 1132624598 QAABGMIGLVJYBQ-CYBMUJFWSA-N 322.409 -0.629 30 20 DBED C#CCNC[C@@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)CC[C@@H]1C 1132844181 VIQDNEVGLPPYKD-NWDGAFQWSA-N 318.381 -0.916 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)CCC(=O)NCC 1133904040 BFZUWLBCLXVUQG-QWHCGFSZSA-N 324.425 -0.475 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)CCc1ncc[nH]1)NCC(=O)NCC#N 1134235209 NFQWXVGIEHHKDH-NWDGAFQWSA-N 320.397 -0.145 30 20 DBED C=CCOCCNCCNC(=O)[C@@H](NS(C)(=O)=O)C(C)C 1134977586 VWMHJXXJQHAQNR-LBPRGKRZSA-N 321.443 -0.531 30 20 DBED C#CCNC(=O)CC(=O)N1CC2(CCN(C[C@H](C)OC)C2)C1 1147368818 NBHLEJDBFWAMEU-ZDUSSCGKSA-N 307.394 -0.305 30 20 DBED C=CCNC(=O)CN1CCC2(C1)CN(C(=O)c1cnn[nH]1)C2 1147840951 GVXHLSGYORIJJA-UHFFFAOYSA-N 304.354 -0.745 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)[C@@H](C)N2C(=O)CCC2=O)C1 1149816511 BQFKGAMTSRSQKA-OLZOCXBDSA-N 321.377 -0.636 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1cccnc1N(C)C 1151026309 ZALVBBRGEIPAIY-GFCCVEGCSA-N 317.393 -0.395 30 20 DBED CNS(=O)(=O)CC(=O)NCCNCc1cccc(C#N)c1 1151373308 NHSZPEWRLMNPOO-UHFFFAOYSA-N 310.379 -0.687 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)c1ncccc1O 1156990842 ZILPSDFPSBSMNF-LLVKDONJSA-N 304.350 -0.365 30 20 DBED C=CCCN(CC)[C@H](C)CNC(=O)c1cn(CC(N)=O)nn1 1157158553 CRAWUPIICUWYFY-LLVKDONJSA-N 308.386 -0.220 30 20 DBED C=CCn1cccc1C(=O)NCCCNCC(=O)NC(=O)NC 1159974830 MXFADYHACZNJQU-UHFFFAOYSA-N 321.381 -0.161 30 20 DBED C=CCNC(=O)[C@H](C)NCC1(CCNC(=O)CC(=O)NC)CC1 1164263435 MMKIPINJYRSAAD-LBPRGKRZSA-N 324.425 -0.311 30 20 DBED C=CCn1cc(C(=O)NCCCNCC(=O)NCC(C)C)nn1 1167839126 UMRYBWNQPFZKGO-UHFFFAOYSA-N 322.413 -0.054 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1cc(C)nc(C)n1 1168303857 RTTNIFCWPWISEX-UHFFFAOYSA-N 303.366 -0.448 30 20 DBED C[C@H](CCCCNCC(=O)NCC#N)NC(=O)CN1CCCC1 1176573200 JXZYGJCEAZDKJN-CQSZACIVSA-N 323.441 -0.013 30 20 DBED CNC(=O)CC(=O)N1CC[C@H]2OCCN(CC#CCOC)[C@H]2C1 1176995282 UKIXKFFHEZAGHW-UONOGXRCSA-N 323.393 -0.926 30 20 DBED N#CCNC[C@H]1C[C@H]2CC[C@H]1N(C(=O)CN1CCNC(=O)C1)C2 1177876163 HGVSIWFVZNIHSK-MGPQQGTHSA-N 319.409 -0.842 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)Cn2cccn2)C1 1180959348 WAZUETIAYSQIMX-QWHCGFSZSA-N 303.366 -0.789 30 20 DBED CN(CC(=O)NCC#N)[C@H]1CCN(C(=O)C2=COCCC2)C1 1189270684 UKWYRHZNLDRTGR-ZDUSSCGKSA-N 306.366 -0.147 30 20 DBED CC(C)C#CC(=O)N1CC[C@H](N(C)Cc2nc(=O)n(C)[nH]2)C1 1190047855 XONVJQKMWPULFL-LBPRGKRZSA-N 305.382 -0.200 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(CCc2ccnn2C)C[C@H]1O 1191770566 FDMVYJZFJNJUEM-ZIAGYGMSSA-N 308.382 -0.674 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@H]1CCN(C(=O)CCN(C)C)C1 1192153322 OLOUHZOAQGNCBS-KGLIPLIRSA-N 308.426 -0.391 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)C(C)=C2CCC2)C1 1192770977 WXJYPDFQIUATME-BPLDGKMQSA-N 319.405 -0.214 30 20 DBED CNC(=O)C1(C(=O)N2CC[C@@H](N(C)CC#CCOC)C2)CC1 1192844781 BBYYFWSIAYTVCZ-CYBMUJFWSA-N 307.394 -0.305 30 20 DBED C#CCC1(C(=O)N[C@@H]2CN([C@@H](C)C(=O)NC)C[C@H]2O)CCC1 1193692005 XWMNLMSDBHGLKW-YNEHKIRRSA-N 307.394 -0.524 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)[C@]2(CC(C)C)CCNC2=O)C1 1193911490 MUUNDJNGNNJDKP-IOASZLSFSA-N 309.410 -0.114 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1CN([C@@H]2CCCN(C)C2=O)C[C@H]1O 1195307584 ZHJRPBYQOANVQT-JHJVBQTASA-N 309.410 -0.019 30 20 DBED C=CCCC(=O)N1CCCO[C@@H](CNCc2nc(=O)n(C)[nH]2)C1 1200083186 BQXRCRFWFGEWKO-LBPRGKRZSA-N 323.397 -0.218 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCC(NCC(=O)NCC#N)CC1 1200324619 BTGGHXOATDNTKY-HNNXBMFYSA-N 308.382 -0.466 30 20 DBED C=CCNC[C@H]1CN(C(=O)c2cnc(O)n(C)c2=O)CCCO1 1201121077 SLICARGJRXQCBA-NSHDSACASA-N 322.365 -0.507 30 20 DBED C#CCNC[C@H]1CN(C(=O)c2ccc(OC)nn2)CCCO1 1201784599 NFJQBNFIFXISJW-LBPRGKRZSA-N 304.350 -0.061 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)[C@@]12COC[C@@H]1C2 1207000576 HKRNUJYGFMVPKH-ZAZJYDDPSA-N 306.366 -0.901 30 20 DBED COCC#CCN1C[C@@H](NC(=O)C[C@H]2CCC(=O)N2)[C@H](C)C1 1209379831 FTIUAVWCRWURIK-MGPQQGTHSA-N 307.394 -0.259 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@@]2(C)CCOC2)C1 1210316544 XKVJWQQKDSDUNU-CJNGLKHVSA-N 307.394 -0.257 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](NCc2ccon2)[C@H](C)C1 1214471843 DOWLISCQNBGONQ-DGCLKSJQSA-N 304.350 -0.249 30 20 DBED C=C[C@@](C)(O)CC(=O)N1C[C@@H](NCCN2CCNC2=O)[C@H](C)C1 1214535167 IZTYOTBXAIVPAM-XJKCOSOUSA-N 324.425 -0.225 30 20 DBED CCc1cc(C(=O)N2C[C@@H](NCC(=O)NCC#N)[C@H](C)C2)no1 1216444254 QGLNYFBKHIQFRV-ZWNOBZJWSA-N 319.365 -0.073 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(Cc2nc(C3CC3)n[nH]2)C[C@@H]1O 1219363676 DMIXFUQQDCSHAL-NEPJUHHUSA-N 321.381 -0.454 30 20 DBED C=CCC(CC=C)C(=O)N[C@@H]1CN(C[C@H](O)COC)C[C@@H]1O 1219690104 XXZHIJSRJFIJFD-ZNMIVQPWSA-N 312.410 -0.077 30 20 DBED N#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C[C@H]2C=CCCC2)C1 1219862781 SHEUJVPHPRJVIY-MJBXVCDLSA-N 320.393 -0.466 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C23CCC(CC2)C3)C1 1219877358 BSKBKSCOBOHZMW-DLOXAQCQSA-N 319.405 -0.523 30 20 DBED C#CCOCCC(=O)N1C[C@H]2CCN(Cc3cnnn3C)C[C@H]21 1221544790 HZFUOFZJAJESPC-UKRRQHHQSA-N 317.393 -0.112 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)c2cc[n+]([O-])cc2)CC1 1225897813 WXPAMXHOMZRPAM-UHFFFAOYSA-N 318.377 -0.184 30 20 DBED CC(=O)NCCOCCN1CCC(NC(=O)[C@H](C)C#N)CC1 1226640968 SPYLJFDWGZCFJP-GFCCVEGCSA-N 310.398 -0.121 30 20 DBED C[C@@](O)(CC(=O)NC1CCN(CC(=O)NCC#N)CC1)C1CC1 1226934820 WXVYNMVRCGBLOE-MRXNPFEDSA-N 322.409 -0.242 30 20 DBED C#CCNC(=O)CC(=O)NC1CCN(Cc2cncn2C)CC1 1226961644 JIAUCUCRXXACHC-UHFFFAOYSA-N 317.393 -0.360 30 20 DBED CC#CCN1CCC(NC(=O)C(C)(C)NS(C)(=O)=O)CC1 1229508639 PJRCMFKPCKVPEP-UHFFFAOYSA-N 315.439 -0.082 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@H]1CN(C)C(=O)COCC=C 1231246126 CZCXXPYIDVGIPV-KGLIPLIRSA-N 307.394 -0.140 30 20 DBED C#C[C@H](NC(=O)N(C)CCNS(C)(=O)=O)[C@@H]1CCCO1 1255218916 YHGOIORGYNONBA-QWRGUYRKSA-N 303.384 -0.642 30 20 DBED C=C[C@@H](COC)NC(=O)N1CCN(S(=O)(=O)N(C)C)CC1 1261637384 QYGQJLICVMDSOJ-NSHDSACASA-N 320.415 -0.679 30 20 DBED C=CCNC(=O)CNC[C@H]1CCCN1C(=O)[C@@H](C)NC(C)=O 1267949837 DFSYLGWLYFZPOX-DGCLKSJQSA-N 310.398 -0.606 30 20 DBED O=C(NCCN/C(O)=C1\N=CC=CC1=O)NC[C@H](O)C1CC1 1318421151 IJMDEOZTNZTGJQ-UMAGAQSHSA-N 308.338 -0.417 30 20 DBED N#CCOc1cc(F)ccc1NC(=O)C(=O)NC[C@H](O)CO 1320563531 JZOODVNSNQLEPK-VIFPVBQESA-N 311.269 -0.864 30 20 DBED COC[C@](C)(C#N)NC(=O)c1cc(S(N)(=O)=O)oc1C 1325108802 WZIUQVZTQCMXHQ-NSHDSACASA-N 301.324 -0.106 30 20 DBED C#C[C@@H](NC(=O)C(=O)NCCOCC(F)F)[C@@H]1CCCO1 1327465697 NSSTZHWBIBXTIJ-ZJUUUORDSA-N 304.293 -0.319 30 20 DBED N#CC[C@H]1CCCN(C(=O)C(=O)NCCCN2CCOCC2)C1 1327892054 NJBWOJHHZPJNEW-CQSZACIVSA-N 322.409 -0.023 30 20 DBED C=C(Br)CNC(=O)C(=O)NCc1cn(C)nn1 1328862895 LWQYJCYEOPEWJQ-UHFFFAOYSA-N 302.132 -0.544 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@H]1C[C@@H](OCC)C1 1328924539 XPZVOZTZEIKNBW-PHIMTYICSA-N 318.395 -0.613 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCCC[C@@H]2CNC)C1=O 1330928699 HVZHQYGQGDPLJA-LLVKDONJSA-N 322.365 -0.436 30 20 DBED C[C@@H](C(=O)NCCCN1CCC[C@H]1C(N)=O)n1cnc(C#N)n1 1331881554 LPLKDHXUPQAWPM-QWRGUYRKSA-N 319.369 -0.833 30 20 DBED C#CCCCCNC(=O)C(=O)N1CC[C@@](COC)(C(=O)O)C1 1337188261 GDNNWKZIRZQBEU-OAHLLOKOSA-N 310.350 -0.144 30 20 DBED C=CCn1c(C[C@H](C)O)nnc1N1CCN2C(=O)NC[C@@H]2C1 1338821620 JSYRBPLJDCXLOQ-WDEREUQCSA-N 306.370 -0.399 30 20 DBED C=C(C)Cn1c([C@H]2CCC(=O)NC2)nnc1N1CCNC(=O)C1 1342294484 UNASUNOWAJCSSR-NSHDSACASA-N 318.381 -0.216 30 20 DBED C=CCNC(=O)Cn1nnnc1N(C)C[C@H]1CCN(C(C)=O)C1 1343874459 IVBUEJNPAXPOGM-GFCCVEGCSA-N 321.385 -0.720 30 20 DBED CN1C(=O)CC[C@@H](NC(=O)C(=O)Nc2cccc(C#N)n2)C1=O 1345811953 KBWREQHDZWZYDT-SECBINFHSA-N 315.289 -0.845 30 20 DBED CN(C[C@H]1CCCC[C@H]1O)C(=O)Cn1cc(C#N)c(O)nc1=O 1362292467 GRUUADGTRQHWBO-ZYHUDNBSSA-N 320.349 -0.170 30 20 DBED C[C@H](CCO)CCNC(=O)CCn1cc(C#N)c(O)nc1=O 1363307550 VTWRKROZVZUJPK-JTQLQIEISA-N 308.338 -0.265 30 20 DBED CN(Cc1nnc2n1CCNC2=O)C(=O)c1ccc(C#N)o1 1363434428 PKSJHWWGNIWPOO-UHFFFAOYSA-N 300.278 -0.242 30 20 DBED Cc1nnc(CNc2[nH]c(=O)n(C)c(=O)c2C#N)n1C1CC1 1363718510 FJFYFKJLBJBIGT-UHFFFAOYSA-N 301.310 -0.208 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)NC[C@@H]1CCS(=O)(=O)C1 1363926878 KRWIPNNUXASJOJ-UWVGGRQHSA-N 309.413 -0.653 30 20 DBED Cn1[nH]c(CNC2(CNC(=O)c3cc(C#N)c[nH]3)CC2)nc1=O 1375405046 JPJLGUHHFVSQGU-UHFFFAOYSA-N 315.337 -0.640 30 20 DBED COC[C@@H](O)CN1CC([C@@H](C)NC(=O)c2cc(C#N)c[nH]2)C1 1378489123 FAGMFFYDCGGTMW-MFKMUULPSA-N 306.366 -0.056 30 20 DBED C[C@H](CNC(=O)c1ccc(C#N)[nH]1)NC(=O)CCc1nc[nH]n1 1386225626 PIOAIDHYZNCUML-SECBINFHSA-N 315.337 -0.128 30 20 DBED CNC(=O)NCCC(=O)NC[C@@H]1CCCN1C(=O)[C@@H](C)C#N 1387350824 ZPSHFIUAFSCACN-QWRGUYRKSA-N 309.370 -0.428 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@@H]2CNC(=O)CCCC(N)=O)[nH]1 1393376407 OSXJHDIBDUAITI-LLVKDONJSA-N 317.349 -0.127 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](C)CN(C)C(=O)c1ccc(C(N)=O)cn1 1395601861 BFAYKGFVRZJADI-VHSXEESVSA-N 317.349 -0.083 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CN(C)C(=O)c1ccc(O)nc1 1396050458 JWASIZSAWLWPNT-KOLCDFICSA-N 306.322 -0.504 30 20 DBED COCCC(=O)N(CCO)C1CCN(C(=O)[C@@H](C)C#N)CC1 1396623363 GDJICWDCTVUAQZ-LBPRGKRZSA-N 311.382 -0.006 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CCN(C(=O)CN2CCCNC2=O)C1 1396944654 RSNWCTNCOYHXGQ-WDEREUQCSA-N 307.354 -0.722 30 20 DBED N#Cc1cc(C(=O)N2CC[C@H]2CNC(=O)CCCC(N)=O)c[nH]1 1400451506 PGRAMCMTFKIICY-LBPRGKRZSA-N 317.349 -0.127 30 20 DBED COCCN(CCNC(=O)[C@@H]1CC(=O)N(C)C1)C(=O)[C@@H](C)C#N 1405761901 VFTLCLNWOLKCJE-NWDGAFQWSA-N 324.381 -0.784 30 20 DBED C[C@H](C#N)C(=O)NC1CN(C(=O)CN2CCCCCC2=O)C1 1409101209 KONQWRCZOSFZAF-LLVKDONJSA-N 306.366 -0.124 30 20 DBED C[C@@H](C#N)C(=O)NCC1CN(C(=O)[C@@H]2CCCN2C(N)=O)C1 1416119120 IJHHHRDBGWLPLX-ONGXEEELSA-N 307.354 -0.736 30 20 DBED CC(C)OC(=O)[C@H](C)NC(=O)CCn1cc(C#N)c(O)nc1=O 1417869474 MHGXZBUYCNLAOD-VIFPVBQESA-N 322.321 -0.333 30 20 DBED C[C@@H](c1nnnn1C)N(C)CCNC(=O)c1cc(C#N)c[nH]1 1418451886 UYQBIGHVKKKGDF-VIFPVBQESA-N 302.342 -0.167 30 20 DBED COC[C@@H](O)CN1CCOC[C@H]1CNC(=O)c1cc(C#N)c[nH]1 1421682077 LNSWSVZKHIOTDD-OLZOCXBDSA-N 322.365 -0.676 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CN(C)C(=O)c1cccc(=O)n1C 1425860256 PZVJATDPVASLMD-QWRGUYRKSA-N 320.349 -0.906 30 20 DBED C[C@H](C#N)C(=O)NCC1CN(C(=O)c2cn(C)c(=O)n2C)C1 1430434385 WZEXBEIGSUASCA-SECBINFHSA-N 305.338 -0.928 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CCN(C(=O)c2cc(C(N)=O)ccn2)C1 1454043001 DPBWPCVUJBZOIQ-MWLCHTKSSA-N 315.333 -0.329 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CCN(C(=O)CCS(C)(=O)=O)C1 1454867628 GFAZFDMMCCBWEX-MNOVXSKESA-N 315.395 -0.455 30 20 DBED C[C@H](CCNC(=O)COCc1nncn1C)NC(=O)[C@H](C)C#N 1455099011 XHCLJNYOLLOHOX-GHMZBOCLSA-N 322.369 -0.498 30 20 DBED C=C(Cl)CNC[C@@H](O)CNC(=O)c1cc(C(N)=O)c[nH]1 1482783232 XXBYABZBIZYTGJ-SECBINFHSA-N 300.746 -0.454 30 20 DBED C[C@@H](CC(N)=O)C(=O)N1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 1491006796 JEAMFSNDBKBFKQ-JTQLQIEISA-N 317.349 -0.318 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](C)CNC(=O)C1CCS(=O)(=O)CC1 1502605886 VHRHFIYBXQZKPE-VHSXEESVSA-N 315.395 -0.408 30 20 DBED CCc1cc(C(=O)NC[C@@]2(O)CCN(C(=O)[C@@H](C)C#N)C2)n[nH]1 1537310297 YDUAQSGKGRELFV-BONVTDFDSA-N 319.365 -0.175 30 20 DBED Cn1c(=O)[nH]c(NC[C@H](C(=O)O)[C@@H]2CCOC2)c(C#N)c1=O 1571097836 FYPPWDWFTVDWHN-APPZFPTMSA-N 308.294 -0.906 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)C[C@@H](C)NC(=O)CNC(=O)O 1573311721 XJSZPFUDNFGJQB-NEPJUHHUSA-N 324.381 -0.685 30 20 DBED C#CCNC(=O)C1CCN(c2nnc(C)n2CCCN)CC1 1574707525 VCJJQYCBAOTECI-UHFFFAOYSA-N 304.398 -0.099 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H](C)CNC(=O)CCCc1cnn[nH]1 1575013327 NWAVNIZYTVIFAL-RYUDHWBXSA-N 321.381 -0.213 30 20 DBED N#C[C@@]12CN(C(=O)CC(F)(F)CN)C[C@H]1CS(=O)(=O)C2 1580056436 RQJUIEIOWWWKJK-WPRPVWTQSA-N 307.322 -0.633 30 20 DBED C#CCO[C@H](C)C(=O)NCCNc1cncc(-c2nn[nH]n2)n1 1588357258 JWDZCJFHSGNTSR-SECBINFHSA-N 316.325 -0.777 30 20 DBED C#CCN(CC(=O)O)C(=O)c1cccc(S(N)(=O)=O)c1C 1588418918 KTQBUIYDPBPEQG-UHFFFAOYSA-N 310.331 -0.198 30 20 DBED CN(C)S(=O)(=O)N(CC#N)Cc1ccccc1-c1nn[nH]n1 1591023508 QNJVLRWPYRDUMC-UHFFFAOYSA-N 321.366 -0.001 30 20 DBED COC[C@]1(C(=O)O)CN(C(=O)NCC#CCN(C)C)CCO1 1593970245 FANJOPZUZCWKFI-AWEZNQCLSA-N 313.354 -0.937 30 20 DBED N#Cc1ccc([C@H](C(=O)O)N2C[C@@H](C(N)=O)[C@@H](C(N)=O)C2)cc1 1601093873 CFKBJRIWSHFWMF-GRYCIOLGSA-N 316.317 -0.797 30 20 DBED N#Cc1ccc(CC(=O)N2CCS(=O)(=O)C[C@H]2C(=O)O)cn1 1601098824 YSBHXKIBVHGFHR-NSHDSACASA-N 323.330 -0.794 30 20 DBED C#CCO[C@H](C)C(=O)NCCNc1ccc(-c2nn[nH]n2)nn1 1602726369 FIYUGYCIIPPIKG-SECBINFHSA-N 316.325 -0.777 30 20 DBED CC1(C#N)CCN(C(=O)C(=O)N2C[C@H](O)C[C@@H](C(=O)O)C2)CC1 1604482034 DKEFADPBNWZBRW-GHMZBOCLSA-N 323.349 -0.567 30 20 DBED C#CCCN1CCN(CCCNC(=O)c2[nH]nnc2C)CC1 1752348887 FESBUJCZCFVSFI-UHFFFAOYSA-N 304.398 -0.126 30 20 DBED C#CCCN[C@H](CNC(=O)CC[C@H]1NC(=O)NC1=O)C1CC1 1752493328 CRWJHADZCKUENT-VXGBXAGGSA-N 306.366 -0.518 30 20 DBED C=CCNC(=O)[C@@H](C)N(C)CCNC(=O)[C@H]1CC(=O)N(C)C1 1753050906 VHFTTZOKABPLLE-NEPJUHHUSA-N 310.398 -0.797 30 20 DBED C#CCNC(=O)CN(C)C[C@@H]1CCN(C(=O)c2ccnnc2)C1 1753356915 ZLTBIFRLAMWETJ-ZDUSSCGKSA-N 315.377 -0.380 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)NC1CN(CC#CCOC)C1 1753388214 NJVVWASVUCDMKP-OAHLLOKOSA-N 307.394 -0.093 30 20 DBED CCc1nn(C)cc1C(=O)NC[C@H](CC)NCC(=O)NCC#N 1753480245 WQHGGJUHDURFGA-NSHDSACASA-N 320.397 -0.280 30 20 DBED C#CCNC(=O)[C@H](C)NCC[C@H](C)NC(=O)c1cn(C)nn1 1753962547 SGCYRUHRMWFXNQ-QWRGUYRKSA-N 306.370 -0.949 30 20 DBED C#CCNC(=O)CNCCN(CC)C(=O)c1cc[n+]([O-])cc1 1754031867 OPEOMBRUVZCNDH-UHFFFAOYSA-N 304.350 -0.879 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@H](C)NC(=O)c1cncnc1C 1754259804 BPBXBYZIOGGZRK-CMPLNLGQSA-N 303.366 -0.369 30 20 DBED C=C(C)CN(CC)C(=O)[C@H](C)NC[C@@H](NC(=O)C(N)=O)C1CC1 1754451017 ZERPIMBXLCYRCL-WCQYABFASA-N 324.425 -0.231 30 20 DBED N#CCSCC(=O)NC[C@]1(O)CCN(Cc2cnon2)C1 1754747509 NRBGDYKKYUFHPT-GFCCVEGCSA-N 311.367 -0.621 30 20 DBED N#CCNC(=O)CN1CC(O)(CNC(=O)c2cccc(F)c2)C1 1754763797 FCDXVHQFMVUGNX-UHFFFAOYSA-N 320.324 -0.758 30 20 DBED C#CCN1CCC[C@@](CO)(NC(=O)[C@@H]2CN(CC)CCO2)C1 1754861143 KFWDBDDZOXDDPJ-GOEBONIOSA-N 309.410 -0.717 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)C#N 1754864583 XRYGYQLCGDGJPJ-MGPQQGTHSA-N 302.378 -0.039 30 20 DBED C#CCCN1CC2(CC[C@H](CNC(=O)C3(C(=O)NC)CC3)O2)C1 1755056431 BXXJINGWPZTEMS-CYBMUJFWSA-N 319.405 -0.115 30 20 DBED C#CCNC(=O)CN[C@H]1CN(C(=O)c2cnnc(C)c2)C[C@@H]1C 1755107505 PFCSFBCWYZHKEB-FZMZJTMJSA-N 315.377 -0.415 30 20 DBED CC#CCN1CC(CCO)(NC(=O)[C@@H](C)CS(C)(=O)=O)C1 1755344069 KNOXKGYPHFKUQE-LBPRGKRZSA-N 316.423 -0.757 30 20 DBED CC#CCNCC1(NC(=O)CN2CCNC(=O)C2)CCCCC1 1755353466 LWTRJGLBPOFBBU-UHFFFAOYSA-N 320.437 -0.150 30 20 DBED CN(C(=O)CCCS(N)(=O)=O)[C@@H](CNCC#N)C1CC1 1755566655 YGARTYWPVALXDS-NSHDSACASA-N 302.400 -0.595 30 20 DBED C[C@H]1C[C@@H](NCC(=O)NCC#N)CN1C(=O)c1cncnc1O 1755680205 DTQDGRBJNXQRSE-VHSXEESVSA-N 318.337 -0.985 30 20 DBED C=C(C)CCNC[C@H](O)CN(C)C(=O)c1cn(C)c(=O)n1C 1755796642 SNENHONDPADMMM-LBPRGKRZSA-N 310.398 -0.288 30 20 DBED C#CCCN(C)C[C@H](O)CN(C)C(=O)c1ccc(=O)n(C)c1 1755803557 XIJMBVUUMQNIEH-AWEZNQCLSA-N 305.378 -0.227 30 20 DBED CC(C)(C)[C@H](CNCC(=O)NCC#N)NC(=O)Cc1nc[nH]n1 1755836543 WIBSARBIYNNBPB-JTQLQIEISA-N 321.385 -0.893 30 20 DBED C#CCCCC(=O)N[C@H](C)[C@H](C)NC(=O)CN1C(=O)CNC1=O 1755964210 IPQGXZXGZNBMFO-MNOVXSKESA-N 322.365 -0.649 30 20 DBED C[C@H](CNC(=O)c1cn(C)c(=O)n1C)N(C)C(=O)C#CC1CC1 1756038558 XHYNXNQOOBHGBA-LLVKDONJSA-N 318.377 -0.286 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H](C)C1CN(C(=O)C(=O)NCC2CC2)C1 1756156534 PXQPEGYYWBKKRB-UWVGGRQHSA-N 306.366 -0.365 30 20 DBED C[C@H](C#N)C(=O)NCC1[C@H]2CN(C(=O)CC(=O)N(C)C)C[C@H]12 1756209164 AUFPBAOMYHMXLR-YUSALJHKSA-N 306.366 -0.555 30 20 DBED COC1CC(C(=O)N[C@@H](CO)CNC(=O)CSCC#N)C1 1756503388 GVIZAIWNLSHQRT-HSOILSAZSA-N 315.395 -0.739 30 20 DBED C=C(C)CCC(=O)NC[C@H](CO)NC(=O)[C@H]1CCCC(=O)N1 1756529337 XDYFTPAKVHMKOA-VXGBXAGGSA-N 311.382 -0.395 30 20 DBED C=CCOCC(=O)NC[C@H](O)CN(C)C(=O)c1cc(C)on1 1756650122 RBTHKJYWUUUKBY-NSHDSACASA-N 311.338 -0.265 30 20 DBED Cc1cnoc1C(=O)N1C[C@@H](O)[C@H](NC(=O)CSCC#N)C1 1756979215 JFTVPMQTMWKGQX-NXEZZACHSA-N 324.362 -0.459 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H]2CC[C@H]1[C@H]1CN(C(C)=O)C[C@H]21 1757425903 YIIJPKCEOPGNQL-KBXIAJHMSA-N 317.389 -0.159 30 20 DBED CCNC(=O)CC(=O)N1C[C@H]2CCN(C(=O)[C@H](C)C#N)C[C@H]2C1 1757471466 MBJPKDBTSOMNCF-UPJWGTAASA-N 320.393 -0.021 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@H](NC(=O)c2cnn[nH]2)[C@H]1C 1757526036 VSRUFMSKWABTBX-VWYCJHECSA-N 305.338 -0.438 30 20 DBED N#CCSCC(=O)N1CC[C@H](NC(=O)c2ccon2)[C@@H](O)C1 1757562916 RUHHZGSAEYJKRY-ONGXEEELSA-N 324.362 -0.377 30 20 DBED COc1cc(C(=O)O)ccc1C=NNC(=S)NCC(N)=O 1776042715 ODAQKFFEUMMKFL-UHFFFAOYSA-N 310.335 -0.323 30 20 DBED CO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC#N)[C@H]2C1 1786368314 JJXQZSKMZQFWHX-VOAKCMCISA-N 309.366 -0.085 30 20 DBED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN(C)C 1795438128 XTGAVQDCKHJMQP-XOIINTDNSA-N 321.421 -0.059 30 20 DBED CN(C)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC(=O)O 1801986774 CSJZANQBLORYEL-CLLJXQQHSA-N 321.377 -0.336 30 20 DBED N#CC1(C(=O)N2CCCC23CN(C(=O)Cn2cnnn2)C3)CC1 1842807647 ZXMXRDDOYFHTJJ-UHFFFAOYSA-N 315.337 -0.820 30 20 DBED C#CC(=O)N1CCCC12CN(C(=O)c1cccnc1C(N)=O)C2 1845958504 QEHFEIQLHAAWFE-UHFFFAOYSA-N 312.329 -0.369 30 20 DBED Cn1cc(C#N)c(=O)n(CC(=O)Nc2ccc(C#N)cc2)c1=O 11457595 VIUXXPMZFPVWFZ-UHFFFAOYSA-N 309.285 -0.071 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(CCC#N)CCC#N)C1=O 58869288 OYPXFCLHZOSYMZ-UHFFFAOYSA-N 317.305 -0.381 30 20 DBED C=CCN(CC(=O)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 66561176 CGLKSUFHRQUMMB-GFCCVEGCSA-N 302.396 -0.480 30 20 DBED N#Cc1cnc(Nc2cc(N(CCN)CC(N)=O)ncn2)cn1 98178662 QOTBUWNINBLTRQ-UHFFFAOYSA-N 313.325 -0.868 30 20 DBED C=CCNC(=O)NC(=O)CN1CCN(CC(C)(C)O)C[C@H]1C 189418225 WEYBJLMDWPUESI-GFCCVEGCSA-N 312.414 -0.225 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)c2ccccn2)CC1 192824069 VPUTVTASNOBDQE-CYBMUJFWSA-N 300.362 -0.023 30 20 DBED C/N=C(/NC[C@@H]1COCCO1)N1CCN(c2ncccn2)CC1 262509854 AXGIWFRLAABJKS-CYBMUJFWSA-N 320.397 -0.411 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCCN[C@@H]2C)C1=O 262691826 ABEGUOBACXTNLG-NXEZZACHSA-N 308.338 -0.780 30 20 DBED Cn1c(N2CC[C@H](N3CC=CC3)C2)c(C#N)c(=O)n(C)c1=O 266283518 UZUOMLYCFMZFRK-NSHDSACASA-N 301.350 -0.594 30 20 DBED N#Cc1ncn(CCNC(=O)CN2CCc3ccccc3C2=O)n1 286290272 PIPCOOWVHQCUEP-UHFFFAOYSA-N 324.344 -0.036 30 20 DBED CN(C)[C@@]1(CNC(=O)NCCn2cnc(C#N)n2)CCSC1 286689530 NESISNGQPNDSHO-CYBMUJFWSA-N 323.426 -0.114 30 20 DBED CN1CCN(C)[C@@H](C/N=C(/O)c2cnc3c(c2)nnn3C)C1 329438207 MISMDXLHINHATH-NSHDSACASA-N 303.370 -0.086 30 20 DBED O=c1c2ccccc2nnn1C/C(O)=N/[C@]1(CO)CCOC1 329660876 ILEWPKKMBRVEGZ-AWEZNQCLSA-N 304.306 -0.101 30 20 DBED CC(C)[C@@H](/C(O)=N/Cc1nnn(C)n1)N1CCCS1(=O)=O 330208249 GQDJEDNZBNVXFU-JTQLQIEISA-N 316.387 -0.273 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)NCC1(O)CCN(C)CC1 337987881 GDVGOMVUFJRICW-LLVKDONJSA-N 304.416 -0.489 30 20 DBED CC[C@]1(C)NC(=O)N(CC(=O)NC2(C#N)CCOCC2)C1=O 339977131 IUNOSJHLPKRYFG-ZDUSSCGKSA-N 308.338 -0.104 30 20 DBED N#Cc1ccsc1NC(=O)C(=O)N1CCN2C(=O)NC[C@H]2C1 340109972 VEVQLCASRNMSSJ-VIFPVBQESA-N 319.346 -0.206 30 20 DBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@@H]1COCCO1 342663768 KAWNLRDSELMGSQ-XQQFMLRXSA-N 312.366 -0.385 30 20 DBED C[C@@H](C(=O)NC1(C#N)CCC1)N1CC[C@@H](S(N)(=O)=O)C1 346410796 JKIRRQPYJFQTPI-VHSXEESVSA-N 300.384 -0.700 30 20 DBED N#CCNC(=O)CNS(=O)(=O)c1ccc(Br)o1 352530939 PHSDCCQZBWWKMA-UHFFFAOYSA-N 322.140 -0.040 30 20 DBED C=CC[C@@H](NC(=O)N[C@H]1CCCN(S(C)(=O)=O)C1)C(=O)O 400122208 MIMSOJYOZZPZQF-VHSXEESVSA-N 319.383 -0.261 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2cnn(CCF)c2)CC1 491148321 VNONRJLYEXMYFE-UHFFFAOYSA-N 321.356 -0.640 30 20 DBED Cn1nnc(C[S@@](=O)CC(=O)Nc2cccc(C#N)c2)n1 569503643 PCDSGXHNNSLPRZ-OAQYLSRUSA-N 304.335 -0.031 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N[C@H](CO)[C@H]1CCCOC1 576242250 SOFIYBUXYZNRID-GRYCIOLGSA-N 305.400 -0.158 30 20 DBED C=CCSCCNC(=O)C(=O)N1CCN(C)C[C@@H]1CN 580294101 UXKORUZRYASGLE-NSHDSACASA-N 300.428 -0.877 30 20 DBED CCN(CC)C[C@@H](C)NC(=O)C(=O)NC1CCN(CC#N)CC1 585774419 RCDDRGJGMZTDBK-CYBMUJFWSA-N 323.441 -0.063 30 20 DBED C[C@]1(C2CC2)NC(=O)N(CC(=O)N2CC[C@@](O)(CC#N)C2)C1=O 592840455 VMHCVBQKBVFTIP-CABCVRRESA-N 320.349 -0.416 30 20 DBED C=CCCSCCNC(=O)C(=O)N1CCN(C)C[C@H]1CN 595281370 AFYGPTNKTYGWKG-GFCCVEGCSA-N 314.455 -0.487 30 20 DBED CC1(CNC(=O)C(=O)N2CCN(CCC#N)CC2)CCOCC1 602244953 HQBBQBSAVUSEGB-UHFFFAOYSA-N 322.409 -0.023 30 20 DBED CC(C)[C@H](C#N)N1CCN(Cc2cc(=O)n(C)c(=O)n2C)CC1 609486934 UNBWRHGJXFWCCU-AWEZNQCLSA-N 319.409 -0.250 30 20 DBED C=C(C)COCCNC(=O)N1CCN(S(=O)(=O)NC)CC1 664444809 NTAQKMCQYXNNGL-UHFFFAOYSA-N 320.415 -0.630 30 20 DBED C=CC[C@@H](CO)CNC(=O)NC1CC(NS(C)(=O)=O)C1 670177613 JNMRYYQDGPIQNM-KPPDAEKUSA-N 305.400 -0.450 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)c1ccc(S(N)(=O)=O)c(C)c1 730894711 VJVDGMHGILZRBL-JTQLQIEISA-N 324.358 -0.063 30 20 DBED C#CCNC(=O)[C@@H](C)OC(=O)CC1(CS(C)(=O)=O)CC1 747063224 YKSMSGQLRFNYGU-SNVBAGLBSA-N 301.364 -0.118 30 20 DBED Cn1c(C=NOC2CCOCC2)nc2c1c(O)nc(=O)n2C 774454365 XWKKDIHQAPVRPI-UHFFFAOYSA-N 307.310 -0.098 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N[C@H](C)CN1CCOCC1 782999769 NWWURXDMHKTDTN-GFCCVEGCSA-N 319.427 -0.393 30 20 DBED C=CCS(=O)(=O)CCNC(=O)[C@@H]1CCN(C(=O)CC)C1 783547939 UMKQNFGNJGCOBK-LLVKDONJSA-N 302.396 -0.038 30 20 DBED N#Cc1ncn(CCNS(=O)(=O)c2ccccc2C=O)n1 796139202 CJIGQTKRXHPYSR-UHFFFAOYSA-N 305.319 -0.059 30 20 DBED C#CCC[C@H](O)CNC(=O)c1ccc(F)c(S(N)(=O)=O)c1 799069563 ALFOPKIICDHYDM-JTQLQIEISA-N 314.338 -0.023 30 20 DBED C#CCC[C@@H](O)CNC(=O)CNS(=O)(=O)CCOC(C)C 799074566 LMODIUZMPUPHGE-GFCCVEGCSA-N 320.411 -0.779 30 20 DBED C#CCNC(=O)COC(=O)[C@@H]1COCCN1CC(F)(F)F 801348957 YELAEBGRUPORSP-VIFPVBQESA-N 308.256 -0.458 30 20 DBED N#CCCCCNC(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 804057238 VXIQSNPBQTWSJE-CHWSQXEVSA-N 308.382 -0.224 30 20 DBED C#CCO[C@H](C)C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 822573321 ZKBNMNYQWSFVBH-CYBMUJFWSA-N 321.377 -0.682 30 20 DBED C=C(C)CCNC(=O)NCCS(=O)(=O)N1CCOCC1 836264028 ANKYSBQBPJXPOY-UHFFFAOYSA-N 305.400 -0.086 30 20 DBED COC[C@@H](C#N)OC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2s1 857065893 BOXWYWDKPQCRGG-SSDOTTSWSA-N 323.330 -0.006 30 20 DBED C#CCN1CCC[C@@H](NC(=O)NC[C@@H]2CN(C)CCN2C)C1 884141088 OTYIPQSCEMZAFY-HUUCEWRRSA-N 307.442 -0.371 30 20 DBED N#C[C@@H](C(=O)CN1CCCCS1(=O)=O)C(=O)N1CCCC1 892457149 DLNYQQGTOOPAMA-NSHDSACASA-N 313.379 -0.257 30 20 DBED C#CC1(O)CN(C(=O)NC2CCN([C@@H]3CCC[C@H]3O)CC2)C1 893743536 PODFVYAUXHMWDP-ZIAGYGMSSA-N 307.394 -0.246 30 20 DBED C#CCNS(=O)(=O)N1CCN(C[C@](C)(OC)C2CC2)CC1 895922749 VMIHIUCCIAEANW-AWEZNQCLSA-N 315.439 -0.113 30 20 DBED N#Cc1cncc(S(=O)(=O)N2CC(N3CCCC3=O)C2)c1 907738205 UQKNQXPBQSEWSX-UHFFFAOYSA-N 306.347 -0.051 30 20 DBED C#CC1(O)CN(S(=O)(=O)c2ccc3c(c2)N(C(C)=O)CC3)C1 908231775 JWKMCTVZMYYLPV-UHFFFAOYSA-N 320.370 -0.036 30 20 DBED C[C@H](C(=O)N1CCN(C(=O)[C@@H](C)N(C)C)[C@H](C#N)C1)N(C)C 912534942 HUQRWCXQMSOALC-JHJVBQTASA-N 309.414 -0.550 30 20 DBED O=C(NC[C@H]1CN(C(=O)C#CC2CC2)CCO1)c1cn[nH]c1 944493419 ZTHSHPNTCMLNEF-ZDUSSCGKSA-N 302.334 -0.220 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H](NC(=O)c2ccc(C(N)=O)[nH]2)C1 951872058 GFRSUDUSZIUNPJ-VHSXEESVSA-N 317.349 -0.006 30 20 DBED C[C@H](C#N)C(=O)N1CC(N(C)C(=O)c2ccoc2CC(N)=O)C1 955135246 UOSVNOBMBJWDTQ-SECBINFHSA-N 318.333 -0.250 30 20 DBED C=CCN1C[C@@H](O)[C@@H](CNC(=O)c2cn(C)c(C)cc2=O)C1 958153097 RWZKYBLOVMVEQT-SWLSCSKDSA-N 305.378 -0.098 30 20 DBED C#CCCN1C[C@H](O)[C@H](CNC(=O)c2nnn(CC)c2CC)C1 958403485 GDUKBNIDFYZEFH-OCCSQVGLSA-N 319.409 -0.094 30 20 DBED Cc1cc(C(=O)NC[C@@H]2CN(CC#N)C[C@@H]2O)ncc1C(N)=O 958410166 YZZRUGKHOJBSOK-MFKMUULPSA-N 317.349 -0.965 30 20 DBED C=CCCn1cc(C(=O)NC[C@H]2CN(CCOC)C[C@@H]2O)nn1 958468382 XIEWJQPWSKNTEK-JSGCOSHPSA-N 323.397 -0.477 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](CNC(=O)c2ccc(C(N)=O)nc2)C1 958747750 CDIYAQZKGJHFAN-OCCSQVGLSA-N 318.377 -0.221 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H]2CN(C(=O)c3ccnn3C)C[C@@H]21 960879390 BSSUHLISTFMXCS-WCFLWFBJSA-N 317.349 -0.368 30 20 DBED C=C(Cl)CN1C[C@@H]2C(NC(=O)c3cnc(O)n(C)c3=O)[C@H]2C1 961465331 GAKOARMREKIEBB-UWVGGRQHSA-N 324.768 -0.102 30 20 DBED C#Cc1ccc(C(=O)NC2[C@H]3CN(Cc4nnnn4C)C[C@H]23)nc1 962315686 AWUYMAAMXNTVIQ-RYUDHWBXSA-N 323.360 -0.553 30 20 DBED Cc1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)ncn1 962323618 NYONBIXUWLVGND-AXTRIDKLSA-N 303.322 -0.754 30 20 DBED CC(C)[C@@H](O)C(=O)N1CC2(CN(C(=O)[C@H](C)C#N)CCO2)C1 965474937 SMZUETMLMAHWHQ-VXGBXAGGSA-N 309.366 -0.397 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC2(C[C@@H](NC(C)=O)CO2)C1 965586459 VMCIVPBQQSZFCF-KGLIPLIRSA-N 305.378 -0.410 30 20 DBED CC(=O)N1CC(C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2C)C1 966394761 CFDFOSLKNQLSLB-IAQYHMDHSA-N 317.389 -0.159 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)c2cnc3n2CCC3)C1 968342745 OFOMGWDQNJCWFS-UMNHJUIQSA-N 317.349 -0.710 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2COCCO2)C1 973911894 SOWAWSIIJWPMRB-BJJPWKGXSA-N 324.377 -0.244 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2[C@@H]3CN(C(=O)c4cnn[nH]4)C[C@@H]32)[nH]1 976374430 GDYLQJRHJHWRPU-GDGBQDQQSA-N 311.305 -0.495 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)Cc3cncn3C)[C@H]2C1 976860176 CUFXBQTVXHPMCP-PQFRYHKHSA-N 301.350 -0.305 30 20 DBED C=CCCN1CCCN(C(=O)c2cn(C)c(=O)n(C)c2=O)CC1 982066492 HNLNUCAFJQIRRT-UHFFFAOYSA-N 320.393 -0.192 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(NC(=O)[C@H]2COCCO2)C1 990288931 XUMYZYZVXXFSOQ-MJBXVCDLSA-N 324.377 -0.290 30 20 DBED N#Cc1c[nH]c(C(=O)NC2CN(C(=O)[C@H]3COCCO3)C2)c1 990695757 NHPIREZCQUJTSO-GFCCVEGCSA-N 304.306 -0.758 30 20 DBED N#Cc1ccc(C(=O)NC2CN(C(=O)CC3OCCCO3)C2)[nH]1 990888318 SKLRJPZPXQTJED-UHFFFAOYSA-N 318.333 -0.020 30 20 DBED COCCn1ncc(C(=O)NC2CN(C(=O)[C@@H](C)C#N)C2)c1C 991520927 IOOXXMKGZPTCBU-JTQLQIEISA-N 319.365 -0.062 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2CCN(C)C2)C1 991725938 GORIHSLNLQMGTF-ZFWWWQNUSA-N 318.421 -0.637 30 20 DBED O=C(Cn1nccn1)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C#CC1CC1 996810196 PVVXNPCDRLOYAJ-RDBSUJKOSA-N 313.361 -0.060 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)c3ncn(C)n3)C2)cn1 997091483 ZPKPQRCGARUNBK-UHFFFAOYSA-N 310.317 -0.554 30 20 DBED N#Cc1cc(C(=O)N2CC(CNC(=O)C3=COCCO3)C2)c[nH]1 1000784176 FOPRANMDFSWODD-UHFFFAOYSA-N 316.317 -0.037 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(CNC(=O)[C@H]2CCC(=O)N2)C1 1001216145 PEZKGNOGHXSVJR-UPJWGTAASA-N 321.377 -0.569 30 20 DBED COc1cc(C(=O)NCC2CN(C(=O)[C@@H](C)C#N)C2)ncn1 1002079779 IGXZPEBUIGVRKA-VIFPVBQESA-N 303.322 -0.167 30 20 DBED C[C@@H](C#N)C(=O)N1CC(CNC(=O)c2ccc3nn[nH]c3n2)C1 1002579488 VJPWNHMAJUXOPX-QMMMGPOBSA-N 313.321 -0.299 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)c2cnn[nH]2)C1 1006907693 MFRYDWIACAEYOF-NDMJEZRESA-N 319.365 -0.028 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NCC1[C@@H]2CN(C(=O)C(N)=O)C[C@@H]12 1009109768 OORHNFDZQMOHMZ-IXOXFDKPSA-N 321.377 -0.727 30 20 DBED N#Cc1c[nH]c(C(=O)NC2[C@@H]3CN(C(=O)c4nc[nH]n4)C[C@@H]23)c1 1012914782 HTAIVVZLGJMSIE-RKDXNWHRSA-N 311.305 -0.495 30 20 DBED C=C1CC(C)(C(=O)N2C[C@H]3C(NC(=O)c4nnn(C)n4)[C@@H]3C2)C1 1013594377 QTORKUATQWBKLQ-NXEZZACHSA-N 316.365 -0.247 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCN(Cc2nnn(C)n2)C1 1014470772 PBEZQLGUSCQIDM-UPJWGTAASA-N 320.397 -0.118 30 20 DBED C=C(Cl)CN1CC[C@H](NC(=O)CN2C(=O)CNC2=O)C1 1016200954 ARRNKNIYZUMHHH-VIFPVBQESA-N 300.746 -0.519 30 20 DBED CC#CCN1CCC2(CC1)C[C@H]2NC(=O)Cn1ncn(C)c1=O 1016701577 YXPITMRBEFBJOZ-CYBMUJFWSA-N 317.393 -0.424 30 20 DBED N#CCN1CCC2(CC1)C[C@@H]2NC(=O)Cn1ccc(O)nc1=O 1016715259 NSYSCYCZZWZFDL-NSHDSACASA-N 317.349 -0.557 30 20 DBED C[C@H](C#N)C(=O)N1CC=C(CNC(=O)[C@H]2CNC(=O)N2)CC1 1017688415 KHYXQTXUWNORGJ-MWLCHTKSSA-N 305.338 -0.898 30 20 DBED O=C(C#CC1CC1)N1CC[C@H](NCCN2C(=O)CCC2=O)C1 1018818892 KTGSQQMZTZRUDD-ZDUSSCGKSA-N 303.362 -0.261 30 20 DBED CCc1cc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2O)n(C)n1 1025290340 HUBDBYKRVQIDCA-IRUJWGPZSA-N 319.365 -0.556 30 20 DBED C#CCN1CCC(C(=O)NC2CCC(NCC(N)=O)CC2)CC1 1026610174 GYQDWSLIHNBXSM-UHFFFAOYSA-N 320.437 -0.166 30 20 DBED N#Cc1ccc(CN2C[C@@H]3C[C@H]2CN3C(=O)C(N)=O)c(F)c1 1032597814 IABJCUHCYZOLHS-RYUDHWBXSA-N 302.309 -0.032 30 20 DBED CN(C(=O)CN1C(=O)CC(C)(C)C1=O)[C@H]1CCN(CC#N)C1 1033078994 SMOHFUJFWIHKSD-NSHDSACASA-N 306.366 -0.172 30 20 DBED C#CCN1CC[C@@H]1CNC(=O)c1ccc(=O)n(CCOC)n1 1038477213 LHYIUKMARZHPIO-GFCCVEGCSA-N 304.350 -0.673 30 20 DBED C=C(C)CN1CC[C@H]1CNC(=O)c1c[nH]nc1S(N)(=O)=O 1038683150 VWTQXSSSYUCFAQ-VIFPVBQESA-N 313.383 -0.563 30 20 DBED N#Cc1cccnc1N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCO2)C1 1040926855 XSOWKQCOGQRVEJ-JHJVBQTASA-N 302.334 -0.202 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2ccoc2C)C1 1041393859 YIEVPFOTOLYOKB-LBPRGKRZSA-N 320.345 -0.071 30 20 DBED N#Cc1cncc(N[C@H]2C[C@@H](NC(=O)C(N)=O)C23CCC3)n1 1041612653 RXBQDRUGCLAVGM-VHSXEESVSA-N 300.322 -0.327 30 20 DBED CCO[C@@H]1C[C@@H]1C(=O)NCC1(O)CN(C(=O)C#CC(C)C)C1 1041690657 NXOIEFIZWPXCFN-QWHCGFSZSA-N 308.378 -0.240 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)c2ccc(O)nc2)C1 1042801007 DUBSOTHEXMGROU-UHFFFAOYSA-N 317.345 -0.106 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)c2conc2C)C1 1043037015 XAMXIQGVZMTADK-UHFFFAOYSA-N 321.333 -0.674 30 20 DBED CCO[C@H](C(=O)NCC1(O)CN(C(=O)[C@H](C)C#N)C1)C1CC1 1043172800 OUHZZKDDGLJOGX-PWSUYJOCSA-N 309.366 -0.349 30 20 DBED C=CC(C)(C)CC(=O)NCC1(O)CN(C(=O)[C@H]2CCNC2=O)C1 1043207369 TXOPACQZLOTRIF-NSHDSACASA-N 323.393 -0.586 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)Cc2ccc[nH]2)C1 1043288812 ICBFCIVEBAOVFD-LBPRGKRZSA-N 319.361 -0.715 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(O)(CNC(=O)Cc2ccc[nH]2)C1 1043290435 DOYQEJUPEVNYBY-OAHLLOKOSA-N 321.377 -0.426 30 20 DBED C[C@@H]1CN(C(=O)Cc2cnc[nH]2)C[C@H]1N=c1cc[nH]c(C#N)n1 1043542958 YVJDCIQOUYQMPZ-ZYHUDNBSSA-N 311.349 -0.005 30 20 DBED N#Cc1cnccc1N1C[C@H](O)[C@H](NC(=O)Cc2ncc[nH]2)C1 1044118308 URRQVLZQCKEIQH-YPMHNXCESA-N 312.333 -0.415 30 20 DBED Cc1nc(C)c(C(=O)N2CC(O)(CNC(=O)[C@H](C)C#N)C2)o1 1045541407 WDTGNUKCKMPFQV-MRVPVSSYSA-N 306.322 -0.246 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)C[C@H](C)COC)C1 1045632313 TUNCBMOONJZICW-LBPRGKRZSA-N 314.382 -0.449 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3nnc(O)n3C2)C1 1047433067 VUJFRBMZDWOWIW-SRVKXCTJSA-N 321.381 -0.764 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)Cc2cnoc2)C[C@@H]1O 1049407610 IZXXXYVKOKKUFU-USWWRNFRSA-N 306.322 -0.593 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)c1cnn(CCOC)c1C 1050919160 CQVYDTSZPRPTSH-AWEZNQCLSA-N 320.393 -0.098 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)[C@@H]3CCCC(=O)N3C)CO2)C1 1053997464 ORDLWRQTHRPPSC-OLZOCXBDSA-N 305.378 -0.410 30 20 DBED CC(C)[C@@H](O)C(=O)N1CCC[C@](CO)(NC(=O)C#CC2CC2)C1 1055939265 VNCPDCVZHOASLX-WBVHZDCISA-N 322.405 -0.114 30 20 DBED Cn1cc(C(=O)NC2[C@@H]3CN(c4ccc(C#N)cn4)C[C@@H]23)nn1 1056198170 JLWWLSIGVGRICP-GHMZBOCLSA-N 309.333 -0.054 30 20 DBED C=CCOCC(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)CNC(N)=O 1056313471 BEWBNCYJNKFGDQ-NEPJUHHUSA-N 324.381 -0.551 30 20 DBED CC(C)(O)CC(=O)NCCN(CCO)C(=O)CSCC#N 1057026859 OSBWBWJOTVEAQZ-UHFFFAOYSA-N 317.411 -0.659 30 20 DBED COC(=O)[C@@H]1C[C@@H]1C(=O)N(CCO)CCNC(=O)C#CC(C)C 1057177471 FWZIZWYTPJMYJO-QWHCGFSZSA-N 324.377 -0.608 30 20 DBED N#Cc1ccc(N[C@H]2CCCN(C(=O)[C@H]3COC(=O)N3)C2)nn1 1057629453 BEXIOOYRUMUXOT-WDEREUQCSA-N 316.321 -0.140 30 20 DBED C=CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)c1ccon1 1057921732 OIHXRAPKUWAJJA-NSHDSACASA-N 311.338 -0.184 30 20 DBED N#Cc1cccnc1N1CC[C@@H](NC(=O)CN2CCOCC2)C1 1058324539 MRJFSKLKFOWPIH-CQSZACIVSA-N 315.377 -0.020 30 20 DBED C=C(C)C[C@@H](C)C(=O)N(CCO)CCNC(=O)c1cnn[nH]1 1058466262 KEWYVWXYMZJHHY-LLVKDONJSA-N 309.370 -0.042 30 20 DBED CN1C[C@H](C(=O)N[C@H]2CCN(c3nccnc3C#N)C2)NC1=O 1058504202 JLAGRYJJACPLCM-GXSJLCMTSA-N 315.337 -0.933 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)[C@@]12CCCN(CC1)C2 1058654902 LKNOBHZWWLYRKM-CJNGLKHVSA-N 322.409 -0.431 30 20 DBED N#Cc1ccc(N[C@H]2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)nn1 1059067146 PNXVFSSTSNVBCU-AXFHLTTASA-N 300.322 -0.518 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](CCNC(=O)CC(N)=O)C1 1060419856 IQAVLSYREICJHQ-XQQFMLRXSA-N 323.393 -0.192 30 20 DBED Cc1cc(C#N)nc(N[C@@H]2CCC[C@@H](NC(=O)C(N)=O)C2)n1 1061125173 OJHKXBRZYFOSIQ-NXEZZACHSA-N 302.338 -0.019 30 20 DBED C#CCNC(=O)CC(=O)N1CCOC[C@H]1CNC(=O)CC1CC1 1061177242 ACQOVESGCNKBCL-CYBMUJFWSA-N 321.377 -0.730 30 20 DBED C=C(C)CCC(=O)NC[C@H]1COCCN1C(=O)Cn1cncn1 1061631099 MWTTTYXOMWEUPL-ZDUSSCGKSA-N 321.381 -0.022 30 20 DBED Cc1ccc(C(=O)N2CCOC[C@H]2CNC(=O)[C@@H](C)C#N)nn1 1061847353 KXHYLJITYBRPDP-CMPLNLGQSA-N 317.349 -0.098 30 20 DBED C#CCNC(=O)CC(=O)N1CCCC[C@@H]1CNC(=O)CCOC 1062142573 AQNOPURVVNYZJT-CYBMUJFWSA-N 323.393 -0.340 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CN(C(=O)CC2(O)CCC2)CCO1 1065124310 MJNJGPLTEAHVHP-NEPJUHHUSA-N 309.366 -0.205 30 20 DBED C[C@@]1(NC(=O)[C@H]2CNC(=O)N2)CCN(c2cncc(C#N)n2)C1 1065325950 JWHNPIGNBWWKQE-QMTHXVAHSA-N 315.337 -0.885 30 20 DBED N#Cc1nccnc1N1CC[C@@H]2[C@H]1CCCN2C(=O)CC(N)=O 1066126291 DVDMITDESRWRNO-VXGBXAGGSA-N 314.349 -0.207 30 20 DBED Cc1c[nH]c(C(=O)N2CC3(C[C@H](NC(=O)[C@@H](C)C#N)CO3)C2)n1 1069001886 AHIQYOQBQCISJC-ONGXEEELSA-N 317.349 -0.023 30 20 DBED N#CCN1CCn2ncc(CNC(=O)[C@H]3CCC(=O)NC3)c2C1 1069866159 ZMQQPWWVRQHABW-NSHDSACASA-N 316.365 -0.635 30 20 DBED C=CCCC(=O)NC1(CNC(=O)C2(C(N)=O)CC2)CCOCC1 1070033182 MFZZKHJWAHCXQU-UHFFFAOYSA-N 323.393 0.000 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)Cc2nonc2C)C1 1070064533 WJYXCGMPMYAXFA-OLZOCXBDSA-N 317.353 -0.260 30 20 DBED CCc1cc(C(=O)N2C[C@H](n3ccnn3)[C@H](NCC#N)C2)n[nH]1 1070144237 BIGSDQQURMPMLF-OLZOCXBDSA-N 314.353 -0.258 30 20 DBED N#CCN1C[C@H]2C[C@@H]3CN(C(=O)c4cnns4)C[C@@]3(C1)O2 1070766570 CIUXIIBPWUGCKV-GIPNMCIBSA-N 305.363 -0.023 30 20 DBED C[C@H]1COCC[C@@H]1C(=O)N1CCC(=O)NCCN(CC#N)CC1 1070996392 RGARRPDOBIWRIQ-KBPBESRZSA-N 322.409 -0.167 30 20 DBED C=CCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)CN2CCOCC2=O)C1 1071777744 LNQQFDNDOOOEPT-OLZOCXBDSA-N 323.393 -0.226 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1C 1072017686 JTFCMWBTHQFJIZ-VXGBXAGGSA-N 319.365 -0.568 30 20 DBED C#CCC1(C(=O)N2C[C@@H](C)[C@@H](NC(=O)CNC(N)=O)C2)CCC1 1072236713 GKFITMUBPBGIKP-NEPJUHHUSA-N 320.393 -0.189 30 20 DBED N#CCN1CCC2(C1)CN(C(=O)[C@H]1CCc3nnnn3CC1)C2 1073000723 DLTRYMNNDNLMGW-LBPRGKRZSA-N 315.381 -0.317 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CCN(C(=O)C(N)=O)CC1(C)C 1073393875 QPIXNYARQMXYHL-WDEREUQCSA-N 309.366 -0.747 30 20 DBED C#CCCN1CCCO[C@@H](CNC(=O)c2cnc(O)n2C)C1 1073729679 SYEQOHVEAMTUIA-LBPRGKRZSA-N 306.366 -0.030 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCN(C(=O)COC)C[C@@H]1C 1073888787 ZGKCZZXOKXXMBK-NWDGAFQWSA-N 309.366 -0.875 30 20 DBED C=CCN1CC[C@@H](N(C)C[C@H]2CCCCN2C(=O)C(N)=O)C1=O 1074059048 UMEYEKFYUCMJKL-CHWSQXEVSA-N 322.409 -0.429 30 20 DBED C[C@H](C#N)C(=O)N1CCC(O)(CNC(=O)[C@@H]2CCCN2C)CC1 1074705112 NCFIFBMQEQDKEX-OLZOCXBDSA-N 322.409 -0.290 30 20 DBED C#CCOCCC(=O)N[C@@H](C)CCNC(=O)CCNC(N)=O 1076451383 QQISXRLBDMWZFF-NSHDSACASA-N 312.370 -0.904 30 20 DBED C=CCCn1cc(C(=O)N[C@@H]2CN(C[C@H](C)O)C[C@H]2O)nn1 1077812400 FASSNAQEGBUDEW-DMDPSCGWSA-N 309.370 -0.990 30 20 DBED N#Cc1ccccc1CN1C[C@@H](O)[C@H](NC(=O)c2cnon2)C1 1077872509 VWPOAGOSYLZYHR-ZIAGYGMSSA-N 313.317 -0.084 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCN2C(=O)C(C)C)C1 1078198223 DBFWWEKKZUNTIQ-RBSFLKMASA-N 321.421 -0.182 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(N(CC)C(=O)CC(=O)NC)C1 1079661353 BNQWMHQFHQRSEU-LLVKDONJSA-N 309.366 -0.780 30 20 DBED CCN(C(=O)C#CC1CC1)C1CN(C(=O)[C@@H]2CCNC(=O)C2)C1 1079737114 WWZOBRACZOKIJW-CYBMUJFWSA-N 317.389 -0.015 30 20 DBED C=CCO[C@H](C)C(=O)N1CC(N(CC)C(=O)[C@H]2CNC(=O)N2)C1 1080386505 NWQVNIJUKMVCFT-ZYHUDNBSSA-N 324.381 -0.682 30 20 DBED CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)[C@@H](C)S(C)(=O)=O)C1 1080421754 PBFVFNZSZLITFD-NXEZZACHSA-N 315.395 -0.362 30 20 DBED COCCCC(=O)NC[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 1081303578 XZOJUEFKWSQKCP-KBPBESRZSA-N 308.378 -0.238 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)c2cncnc2)C[C@@H]1O 1081442527 VZIJDVDVQXIYBO-KGLIPLIRSA-N 316.361 -0.171 30 20 DBED CC#CCCCC(=O)NC[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1O 1081672363 XINGQQPHZCPIID-VXGBXAGGSA-N 319.365 -0.453 30 20 DBED C#CCCCCC(=O)N1C[C@H](CNC(=O)c2cnon2)[C@@H](O)C1 1081684684 JFIZTTBCUQQFPN-AAEUAGOBSA-N 320.349 -0.188 30 20 DBED C=CCCCC(=O)NC[C@@H]1CN(C(=O)Cn2nccn2)C[C@@H]1O 1081705042 LNZGGPUZKQECEH-OLZOCXBDSA-N 321.381 -0.430 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@@H]2CCc3nc(C)nn3C2)[C@H](OC)C1 1081975057 NIALGXKCUIZUOL-MGPQQGTHSA-N 317.393 -0.402 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@@H]2CCc3nnn(C)c3C2)C[C@H]1C 1082707786 CLJIJVVLNVKJKM-YRGRVCCFSA-N 301.394 -0.010 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)c2cnn(CCN(C)C)c2)C1 1083851082 MIJYGJWVMWLFBM-CABCVRRESA-N 321.425 -0.204 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)c2nc3nccc(C)n3n2)C1 1084022487 KFITZEQWCZPYDV-NEPJUHHUSA-N 316.365 -0.216 30 20 DBED N#Cc1cc(C(=O)N2C[C@H]3CCN([C@@H]4CCNC4=O)C[C@H]32)c[nH]1 1084293322 AEAQZDPYAZJVEM-LERXQTSPSA-N 313.361 -0.079 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)CNC(N)=O)Nc1ccc(C#N)nn1 1089216354 WBDSMVPLAPINNH-DTWKUNHWSA-N 305.342 -0.288 30 20 DBED C#CCN1CC[C@H](NC(=O)CN2CCCCCCC2=O)[C@H](O)C1 1090311699 XDEUOTRROJTJLR-LSDHHAIUSA-N 321.421 -0.036 30 20 DBED C=CCCN1CC[C@@H](NC(=O)Cn2ccc(O)nc2=O)[C@H](O)C1 1090404968 VYNKMDBDGGMGPA-VXGBXAGGSA-N 322.365 -0.924 30 20 DBED COc1cc(C)nc(N2C[C@@H](O)[C@H](NC(=O)C#CC3CC3)C2)n1 1090413784 YFWDMFUPKLLLTH-CHWSQXEVSA-N 316.361 -0.127 30 20 DBED Cc1nn(C)c(=O)c(C(=O)N[C@H]2CCN(CC#N)C[C@@H]2O)c1C 1090478803 HTRPMTYPSLDMRR-RYUDHWBXSA-N 319.365 -0.914 30 20 DBED C#CCN1CC[C@@H](NC(=O)Cn2ccc(C)cc2=O)[C@H](O)C1 1090610156 QGRBECBDUIWPAB-ZIAGYGMSSA-N 303.362 -0.659 30 20 DBED C#CCN1CC[C@H](NC(=O)C(C)(C)c2cnn(C)c2)[C@@H](O)C1 1090686239 NBNGVERACISWTF-KBPBESRZSA-N 304.394 -0.118 30 20 DBED N#CCSCC(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1091074681 GMIGHPFBEUMQTM-ZJUUUORDSA-N 318.362 -0.729 30 20 DBED N#Cc1ccc(N[C@H]2C[C@@H](CNC(=O)CNC(N)=O)C2)cn1 1091313443 KYYSHVZLWMILJI-WVSHTKLVSA-N 302.338 -0.072 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(c2ccc(C#N)nn2)C[C@@H]1O 1092153929 OZUGERKMFJQTBE-OLZOCXBDSA-N 317.349 -0.393 30 20 DBED CCOCCC(=O)N[C@H]1CCN(c2cnc(C#N)cn2)C[C@H]1O 1092154038 QOTFSPQRSZELDE-QWHCGFSZSA-N 319.365 -0.169 30 20 DBED C#CCOCCC(=O)N[C@H]1CCN(c2cc(C)ncn2)C[C@@H]1O 1092164746 OLFAYKYUXHIBAV-KBPBESRZSA-N 318.377 -0.119 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)Cn3nccn3)c3nccn32)C1 1092373144 PVXMAPDFOPPZOJ-LLVKDONJSA-N 312.337 -0.730 30 20 DBED C[C@H](CC(N)=O)C(=O)NC1[C@H]2CN(c3ccnc(C#N)n3)C[C@H]12 1093332267 ZMLLIXKYYUEJIY-UTLUCORTSA-N 314.349 -0.589 30 20 DBED Cn1nnc(C(=O)N2CCOC3(CCC(NCC#N)CC3)C2)n1 1093403595 CYCNBCXRWFRRSF-UHFFFAOYSA-N 319.369 -0.523 30 20 DBED CCn1nc(C(=O)NCCNc2cncc(C#N)n2)ccc1=O 1093792660 ZHZNKDDLHRMRSZ-UHFFFAOYSA-N 313.321 -0.233 30 20 DBED CCN1CC(N2C[C@@H](NC(=O)c3c[nH]c(C#N)c3)CC2=O)C1 1094720951 CATHXFOKKJLKQQ-LBPRGKRZSA-N 301.350 -0.079 30 20 DBED CNC(=O)NCC(=O)N1CC[C@@H](Nc2cncc(C#N)n2)C1 1095086593 QTWLBPVNNAQEFU-SECBINFHSA-N 303.326 -0.710 30 20 DBED CC(=O)NCC(=O)N1CCC(N=c2cc[nH]cc2C#N)CC1 1095212561 UNHJTNBZYRJLCW-UHFFFAOYSA-N 301.350 -0.086 30 20 DBED C[C@@H](CC(N)=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)nn2)C1 1096218143 CGTVDSCIBHLCHV-CMPLNLGQSA-N 316.365 -0.055 30 20 DBED CNC(=O)CCCC(=O)N[C@H]1C[C@H](N=c2cc[nH]c(C#N)n2)C1 1097022840 CARVOKOIQRTQSU-XYPYZODXSA-N 316.365 -0.254 30 20 DBED CNC(=O)CC(=O)NC[C@H]1CCCCN1c1nccnc1C#N 1097421308 IHNUYSAMBBWFSY-LLVKDONJSA-N 316.365 -0.041 30 20 DBED C=CCCCN(CCO)C1CCN(C(=O)[C@H]2CNC(=O)N2)CC1 1098463458 MOASBRJIQAKEIM-CQSZACIVSA-N 324.425 -0.081 30 20 DBED CNC(=O)NCCC(=O)NCC[C@@H](C)Nc1cnc(C#N)cn1 1099096079 SYDXKPZXNKCOLU-SNVBAGLBSA-N 319.369 -0.026 30 20 DBED C#CCN1C[C@@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CNC(=O)NC)C1 1099490657 VAFXOLWDSJSONS-FQUUOJAGSA-N 304.394 -0.283 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)c2cnns2)[C@H](O)C1 1099695801 OBUZFQFTPLXBOY-GHMZBOCLSA-N 312.395 -0.094 30 20 DBED C#CCCCC(=O)N[C@H]1CCN(CC(=O)N2CCCC2)C[C@@H]1O 1099803797 DCWHBIYDWHDTFR-GJZGRUSLSA-N 321.421 -0.036 30 20 DBED CC(C)(C(=O)N[C@H]1CCN(CC(=O)NCC#N)C[C@H]1O)C1CC1 1099952531 UYIDJPVGDZIFLE-QWHCGFSZSA-N 322.409 -0.386 30 20 DBED CCc1nc(C#N)cc(N(C)CCNC(=O)Cn2cncn2)n1 1100104461 HHBOKYKYDYECJK-UHFFFAOYSA-N 314.353 -0.245 30 20 DBED CN(CCNC(=O)c1ccc(=O)n(C)c1)c1cnc(C#N)cn1 1100402024 QLLIISPZBUWEPY-UHFFFAOYSA-N 312.333 -0.087 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)NCC1CC(NCC(N)=O)C1 1100733286 SMQYRFHDBAAVLM-WXRRBKDZSA-N 310.398 -0.573 30 20 DBED C=CCCC(=O)N1C[C@H]2CN(CC(=O)NC(N)=O)C[C@@]2(C)C1 1101167659 NVJVTSPEVUCMKD-ABAIWWIYSA-N 308.382 -0.072 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H]1CN(Cc2nc(O)n[nH]2)C[C@H]1C 1101964035 AJHIHMPVIIFFRQ-IJLUTSLNSA-N 321.381 -0.267 30 20 DBED C=CCO[C@@H](C)C(=O)NC[C@@H]1CN(Cc2nnn(C)n2)C[C@H]1C 1102609870 NJGAGMFDQJIFEW-FRRDWIJNSA-N 322.413 -0.015 30 20 DBED CC[C@@H](CNC(=O)CS(C)(=O)=O)N=c1cc[nH]cc1C#N 1102997273 HDJVEALXGIDGQE-NSHDSACASA-N 310.379 -0.274 30 20 DBED CC[C@@H](CNC(=O)[C@H](C)NC(N)=O)Nc1ccc(C#N)nn1 1103045578 AWDJXQMGJIWNMJ-IUCAKERBSA-N 305.342 -0.288 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)CCCCC(N)=O 1104073908 SVWMPXPPXQCAAA-LLVKDONJSA-N 318.381 -0.020 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)[C@H]1CN(C)CCO1 1104538856 QUFYNTUPOMWWSL-VXGBXAGGSA-N 318.381 -0.640 30 20 DBED N#CCNCc1cn(C2CN(C(=O)C[C@@H]3COC(=O)C3)C2)nn1 1105211635 UBCASXYCIRIXHZ-JTQLQIEISA-N 318.337 -0.772 30 20 DBED CC#CCNCc1cn(C2CN(C(=O)Cn3nccn3)C2)nn1 1105247162 RTGJSQZGZCIZCA-UHFFFAOYSA-N 314.353 -0.934 30 20 DBED C#CCOCCC(=O)N(C)CCN(C)c1ccc2nnnn2n1 1105469484 SEZYVNMGTHLSCW-UHFFFAOYSA-N 317.353 -0.546 30 20 DBED CN1CC[C@H](CC(=O)NC[C@@H](O)CN=c2cc[nH]c(C#N)n2)C1 1105913782 IZWQLIPUFCQDIU-NEPJUHHUSA-N 318.381 -0.999 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)c2cnn(C)c2N)C[C@H]1C 1106032502 PGDOTHUKAJCSCA-CHWSQXEVSA-N 319.409 -0.050 30 20 DBED CN1CCCC[C@H]1C(=O)NC[C@@H](O)CN=c1cc[nH]cc1C#N 1106057608 DHMICDZRDDDJSO-ZFWWWQNUSA-N 317.393 -0.252 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)[C@@]2(F)CCOC2)nn1 1106072190 HOZZYBYCGOLEFE-ZWNOBZJWSA-N 309.301 -0.634 30 20 DBED C#CCNC(=O)CN1CCO[C@@](C)(CNC(=O)c2ccco2)C1 1107694649 MHOPPQDFLZOTBL-INIZCTEOSA-N 319.361 -0.150 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)CCCCC(N)=O 1107915884 HXMNNVRSDDARGK-SNVBAGLBSA-N 304.354 -0.268 30 20 DBED CC#CCN1CCO[C@@](C)(CNC(=O)COCCN(C)C)C1 1108342004 BDUUMEMGTCTUHN-INIZCTEOSA-N 311.426 -0.205 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)[C@H]1CCC(=O)N(C)C1 1108410818 QGRJUCGMTLPZLT-QWRGUYRKSA-N 316.365 -0.445 30 20 DBED CCO[C@@H](C(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1)C(C)C 1108544610 GXRJMJCZPZLWSG-IUODEOHRSA-N 322.409 -0.028 30 20 DBED C[C@H](CN(C)c1cncc(C#N)n1)NC(=O)CN1CCOCC1 1108904366 XKTIFGAILJUYFR-GFCCVEGCSA-N 318.381 -0.379 30 20 DBED CNC(=O)C1(C(=O)NCC2(Nc3ccnc(C#N)n3)CC2)CC1 1110175769 XOQFPLRVMWCFKL-UHFFFAOYSA-N 314.349 -0.065 30 20 DBED N#Cc1cnc(NC2(CNC(=O)CCn3cnnn3)CC2)cn1 1110202132 IKDPMNDLMZHSEH-UHFFFAOYSA-N 313.325 -0.514 30 20 DBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H]1CCCOC1 1110374487 FHMNZVDQMHSNCW-DGAVXFQQSA-N 320.393 -0.226 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H](COC)OC 1111000267 DGJJDZCVLVCZDZ-MQYQWHSLSA-N 323.393 -0.881 30 20 DBED CO[C@@H](C)C(=O)N(C)[C@H]1CN(c2ccc(C#N)cn2)C[C@@H]1O 1111170879 HOIZGUATUMCPOU-DRZSPHRISA-N 304.350 -0.004 30 20 DBED N#Cc1c[nH]ccc1=NCCN(CCO)C(=O)Cn1cccn1 1111418384 KDTMSVKHEBFVPO-UHFFFAOYSA-N 314.349 -0.495 30 20 DBED CC(C)(C)OCC(=O)N(CCO)CCN=c1cc[nH]c(C#N)n1 1111454903 YMIZVOFMRCYPNG-UHFFFAOYSA-N 321.381 -0.182 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H]2CCC[C@]2(NC(=O)CC(N)=O)C1 1111680677 AWOWZRSGIBXACY-MKBNYLNASA-N 322.409 -0.477 30 20 DBED C=CCN1CC[C@H](N2CCN(C(=O)[C@H](C)NC(C)=O)CC2)C1=O 1112603733 FANHXKRURXZXTN-JSGCOSHPSA-N 322.409 -0.558 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)Cc2cncnc2)CC1 1112803929 BRGSVXNQXDNFTP-ZDUSSCGKSA-N 317.393 -0.146 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)Cc2n[nH]c(C)n2)CC1 1112830823 GMIRCZAEESLSRI-NSHDSACASA-N 320.397 -0.509 30 20 DBED CNC(=O)NCC(=O)NC1CC(CNc2cncc(C#N)n2)C1 1112874251 TXICLWMEZPMXOG-UHFFFAOYSA-N 317.353 -0.416 30 20 DBED C[C@@H](CNC(=O)C1CS(=O)(=O)C1)N(C)c1nccnc1C#N 1113733368 AUPLOWQLMDPTCS-VIFPVBQESA-N 323.378 -0.666 30 20 DBED C[C@H](CNC(=O)C1CS(=O)(=O)C1)N(C)c1ccc(C#N)cn1 1113733856 NWSOMELKOSDUGN-SNVBAGLBSA-N 322.390 -0.061 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)c3cnccn3)[C@H]2C1 1113790702 KTABHLXQXAQACM-SRVKXCTJSA-N 313.361 -0.726 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3cnn(C)c3C)[C@H]2C1 1113857293 KJUMXLNCXGHDPH-NHAGDIPZSA-N 315.377 -0.862 30 20 DBED Cc1cc(C(=O)NC2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]23)nn1C 1113947540 CEFSIEUMCLCJES-GHMZBOCLSA-N 316.365 -0.972 30 20 DBED C=CCOCCCC(=O)NC1[C@@H]2CN([C@@H]3CCNC3=O)C[C@@H]12 1114112398 YVFMKWWXRZKXOV-JHJVBQTASA-N 307.394 -0.096 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)[C@H]3OCCO[C@H]3C)[C@@H]2C1 1114420155 CNCHSFSJCIAEIS-YFCNSXCBSA-N 323.393 -0.861 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3ccnnc3C)[C@H]2C1 1114523542 DBKVHDPLRUBNFU-NHAGDIPZSA-N 315.377 -0.253 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)C(C)(C)COC)[C@@H]2C1 1114563061 SHIRSOUFHXQZQE-YNEHKIRRSA-N 321.421 -0.157 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)Cc3ncc[nH]3)[C@@H]2C1 1115016412 WHSHMPGJBXPBQB-GHMZBOCLSA-N 303.366 -0.699 30 20 DBED CC#CCN1C[C@H]2C(NC(=O)CCn3cnccc3=O)[C@@H]2C1 1115043995 LKKGIMRXVVAJLY-CHWSQXEVSA-N 300.362 -0.297 30 20 DBED C=CCN1C[C@H]2[C@H](NC(=O)CNS(=O)(=O)CCCC)[C@H]2C1 1115179396 AUFWNCNZUMJEJI-IMRBUKKESA-N 315.439 -0.062 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cnn(C)c1 1116534469 KOOIZLYZYQHPTG-UHFFFAOYSA-N 300.340 -0.924 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)NCCC[C@H]2CCOC2)C1 1118225356 DZLSADZYPCSYSL-WFASDCNBSA-N 309.366 -0.204 30 20 DBED C=CC[C@H]1NC(=O)N([C@@H]2CCCN(S(C)(=O)=O)C2)C1=O 1119697519 QBRQEBZMDIMUMO-NXEZZACHSA-N 301.368 -0.093 30 20 DBED C[C@H](CN(C)C(=O)[C@H]1CNC(=O)N1)N=c1cc[nH]cc1C#N 1120634221 KLKUEQVDXDLTDG-BXKDBHETSA-N 302.338 -0.685 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)c2ncccc2O)nn1 1121339487 JZTQILOEALEDAK-SNVBAGLBSA-N 314.305 -0.348 30 20 DBED C[C@@H]1OCCO[C@@H]1C(=O)NC[C@H](CO)Nc1nccnc1C#N 1122776096 LYWCCRLGQCGPFC-UMNHJUIQSA-N 321.337 -0.959 30 20 DBED N#Cc1ccc(NC[C@@H]2CC[C@@H](NC(=O)CC(N)=O)C2)nn1 1123750303 ASBRFSYCPIBUCH-NXEZZACHSA-N 302.338 -0.080 30 20 DBED CC(=O)NCC(=O)N(C)C[C@H](O)CNc1nc(C)cc(C#N)n1 1124087147 ZNZRIOLRPXACGF-GFCCVEGCSA-N 320.353 -0.976 30 20 DBED COCCCCC(=O)N(C)C[C@H](O)CN=c1cc[nH]c(C#N)n1 1124148832 FMKUFGPIHYBVQF-GFCCVEGCSA-N 321.381 -0.182 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCNC[C@H]1CCS(=O)(=O)C1 1126365765 NHVIUZWBXUJPMA-DGCLKSJQSA-N 304.412 -0.546 30 20 DBED C=C[C@](C)(O)CC(=O)NCCNC[C@H](O)COCCOC 1126366127 RGKQRAYXAYNVFS-JSGCOSHPSA-N 304.387 -0.957 30 20 DBED C#CCOCCC(=O)NCCNCC(=O)N(CC)CCC#N 1127027436 RSJBGSGXXQNDII-UHFFFAOYSA-N 308.382 -0.506 30 20 DBED C[C@@]1(C(=O)NCc2cnn3c2CN(CC#N)CC3)CCC(=O)N1 1128481732 RQMWWOOPLAVCTM-HNNXBMFYSA-N 316.365 -0.493 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1ncc(C)cc1OC 1129665660 WPDGMAIYYPRFJU-GFCCVEGCSA-N 318.377 -0.144 30 20 DBED Cn1cnn(CC(=O)NCCNCc2ccccc2C#N)c1=O 1130591029 PYDLKFWDTATBIZ-UHFFFAOYSA-N 314.349 -0.641 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1ccc(N(C)C)nc1 1130718351 PSYHKEISXNWJQD-GFCCVEGCSA-N 317.393 -0.395 30 20 DBED C#CCCN1C[C@H]2C[C@H]3CN(C(=O)CCNC(N)=O)C[C@@]3(C1)O2 1131289403 MCSGQADKBVIWIR-WOSRLPQWSA-N 320.393 -0.630 30 20 DBED C[C@@H]1CC[C@@H](NC(=O)COCc2nncn2C)CN1CC#N 1132392327 IDNQEBLDELUUNX-VXGBXAGGSA-N 306.370 -0.176 30 20 DBED COCC#CCN[C@H](C)C[C@H](C)NC(=O)C(=O)NCC(F)F 1134819954 FZQYIBUUPDVLDW-MNOVXSKESA-N 319.352 -0.110 30 20 DBED C[C@@H](C[C@@H](C)NCC(=O)NCC#N)NC(=O)c1cccnn1 1135737834 BGKPJFGFILRSDV-MNOVXSKESA-N 304.354 -0.397 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)c1ccn(C)n1 1146322765 JZMOCERPUKXAQL-NWDGAFQWSA-N 305.382 -0.344 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)CCC(=O)NCCC 1148223170 RXGBWEIVVIBDHP-LBPRGKRZSA-N 310.398 -0.864 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)NCCNCc1nncn1C 1152399532 XYCQIIDEBNVBPD-UHFFFAOYSA-N 323.401 -0.715 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)CCCn1ccnc1 1153351191 RAIMZSXDDDQRDP-CYBMUJFWSA-N 305.382 -0.493 30 20 DBED CNC(=O)NC(=O)[C@H](C)NCCCNC(=O)CSCC#N 1154818923 AZXNPZVXDVXCGF-VIFPVBQESA-N 315.399 -0.817 30 20 DBED C=CCOCC(=O)NCCCNCC(=O)NC(=O)NCCC 1155725389 PPAJUGIZSNNDSX-UHFFFAOYSA-N 314.386 -0.479 30 20 DBED CC(C)N1CCCC[C@@H]1C(=O)NCCCNCC(=O)NCC#N 1167626700 FUARAIGKSKKBTK-CQSZACIVSA-N 323.441 -0.015 30 20 DBED N#CCNC(=O)CNCCCNC(=O)c1cnn2cc[nH]c12 1174612254 DGIROSOMARDWSB-UHFFFAOYSA-N 303.326 -0.988 30 20 DBED COCC#CCNCCCC[C@H](C)NC(=O)[C@H]1CN(C)C(=O)N1 1174693960 GAUYUKRIFLTSQM-UONOGXRCSA-N 324.425 -0.076 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)Cn1ccccc1=O 1175733193 VAGTXXBUTNDWCP-ZDUSSCGKSA-N 318.377 -0.918 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)CCCCC(N)=O)C[C@H]21 1177130593 DGRMPVAETPOYHI-KGLIPLIRSA-N 307.394 -0.033 30 20 DBED CNC(=O)NC(=O)CNCCCCCCNC(=O)[C@@H](C)C#N 1178052033 AVAKUJBFLZGQIE-NSHDSACASA-N 311.386 -0.132 30 20 DBED COCC#CCNC[C@@H]1CCN(C(=O)CNC(C)=O)C[C@H]1C 1183762663 JMYPRPMYBCUBRZ-HIFRSBDPSA-N 309.410 -0.154 30 20 DBED C#Cc1cncc(C(=O)N2CC[C@@H](NC[C@@H](O)COC)C2)c1 1185558324 VYHGWHBZJBOBLU-HUUCEWRRSA-N 303.362 -0.126 30 20 DBED C=CCOCC(=O)N1CC[C@H]2CN(CC(=O)N3CCC3)C[C@H]21 1187296573 OOGPLCDPXJLFNW-UONOGXRCSA-N 307.394 -0.046 30 20 DBED COCC#CCN1C[C@@H]2CCN(C(=O)CCc3cnn[nH]3)[C@@H]2C1 1189167606 WOTFIPGTBPKLPA-DZGCQCFKSA-N 317.393 -0.080 30 20 DBED COCCCNC(=O)CN(C)[C@@H]1CCN(C(=O)[C@H](C)C#N)C1 1189391135 VYBSFEISTDMOEP-CHWSQXEVSA-N 310.398 -0.169 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)c2cnccc2C)C1 1191987177 IWDYWWAITAXMJN-HUUCEWRRSA-N 303.362 -0.185 30 20 DBED C=CCn1cc(C(=O)N2CC[C@@H](N(C)CC(=O)N(C)C)C2)nn1 1192724012 PRNZXKVXNLYMMC-GFCCVEGCSA-N 320.397 -0.301 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)c2n[nH]c3c2CCC3)C1 1194365334 KZFJFMRUQFVAJH-ZIAGYGMSSA-N 320.393 -0.124 30 20 DBED N#CCNC(=O)CN1CCCN(C(=O)c2cnns2)CC1 1194970832 KOKOSLSNEVPYFE-UHFFFAOYSA-N 308.367 -0.674 30 20 DBED CCN(CC)C(=O)CCCC(=O)N[C@@H]1CN(CC#N)C[C@H]1O 1196969387 HSJUKLPODXRZDZ-CHWSQXEVSA-N 310.398 -0.290 30 20 DBED N#CCNC(=O)CNC[C@@H]1CN(C(=O)[C@@H]2CCCO2)CCCO1 1199787656 PAOVRLWLCFIHFN-OLZOCXBDSA-N 324.381 -0.988 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)CCC=C)CCCO1 1200084184 UZJUFUYMHPJAEC-CQSZACIVSA-N 307.394 -0.091 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)[C@H]2CC2(C)C)CCCO1 1200283654 RLVDFLYHUCJCEM-ZIAGYGMSSA-N 321.421 -0.011 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC(NCc2cnnn2C)CC1 1200532614 VMOXXTJCUZHQHH-GFCCVEGCSA-N 305.382 -0.066 30 20 DBED C=CCNC[C@@H]1CN(C(=O)c2cn(C)c(=O)cn2)CCCO1 1201023127 LTCAFBHTQMJAGK-GFCCVEGCSA-N 306.366 -0.213 30 20 DBED C#CCCN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)Cn1ncn(C)c1=O)C2 1204494313 IRYJOOXWLRILKO-MGPQQGTHSA-N 317.393 -0.426 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)c2ccnc(O)c2)C1 1207789518 KOEKNLFLARPLFM-ZDUSSCGKSA-N 316.361 -0.269 30 20 DBED C=CCOCCN1C[C@@H](NC(=O)c2nccnc2N)[C@H](OC)C1 1212039215 GRBMVDIPXFMQDZ-VXGBXAGGSA-N 321.381 -0.310 30 20 DBED CO[C@@H]1CN([C@H](C)C(=O)NC(N)=O)C[C@H]1NC(=O)C#CC(C)C 1212244418 SMTSQUWVTVDWJD-IJLUTSLNSA-N 324.381 -0.955 30 20 DBED COCC#CCN1C[C@@H](NC(=O)[C@@H]2CCN(C)[C@@H]2C)[C@H](OC)C1 1212298130 WGPHLLLUWKXPKW-KLHDSHLOSA-N 323.437 -0.208 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)COCc1nccn1C 1212444185 IAEUAJRKCOVNBO-VXGBXAGGSA-N 307.354 -0.724 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)Cc2ncc[nH]2)[C@H](OC)C1 1213618192 PROBPANHHOPMJF-VXGBXAGGSA-N 321.381 -0.930 30 20 DBED CC#CCN[C@@H]1CN(C(=O)[C@@H](CCC)S(N)(=O)=O)C[C@H]1C 1215228463 QLVOXAKCJJIJRT-JHJVBQTASA-N 315.439 -0.097 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H](C)OC 1217409103 SWRKUZWPGHKXJD-FRRDWIJNSA-N 311.382 -0.765 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(Cc2ncnn2CC)C[C@@H]1O 1219361740 BOOZXFVEEQMRIR-NEPJUHHUSA-N 309.370 -0.838 30 20 DBED CC#CCCCC(=O)N[C@@H]1CN([C@H]2CCC(=O)NC2=O)C[C@@H]1O 1220184804 RUZVCSSTMPFIKW-AGIUHOORSA-N 321.377 -0.854 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2CC23CCC3)C1 1220429843 AQCGGONQSBTKBR-XQQFMLRXSA-N 305.378 -0.913 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)Cc2nonc2C)C1 1220656829 RUKVOYTUGMHDDH-OLZOCXBDSA-N 310.354 -0.716 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)CNC(=O)c2cccc(C)c2)C1 1220902641 SERFTJOGHOIYCB-CABCVRRESA-N 315.373 -0.481 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)COc2ccccc2OC)C1 1220963238 FXGGGZPUIIOBAW-OLZOCXBDSA-N 304.346 -0.132 30 20 DBED C=CCCN1CC[C@@H]2CN(C(=O)C[C@H](NC(C)=O)C(N)=O)[C@@H]2C1 1221851748 BFUCFLSJRZUFGQ-HZSPNIEDSA-N 322.409 -0.525 30 20 DBED Cc1nonc1C(=O)N1CCC[C@@H](NCC(=O)NCC#N)C1 1222104164 FVNYKNNUPGNWLA-SNVBAGLBSA-N 306.326 -0.788 30 20 DBED CC#CCN[C@@H]1CCCC[C@H]1NC(=O)Cn1ncn(C)c1=O 1227185169 WMNMOSRFDAYMBV-CHWSQXEVSA-N 305.382 -0.378 30 20 DBED CCn1nncc1C(=O)N(C)C[C@@H]1CCN1CC(=O)NCC#N 1234100404 YQEQTHCTQXMQSU-NSHDSACASA-N 319.369 -0.916 30 20 DBED C#CCOCCC(=O)N(C)C[C@@H]1CCN1Cc1nc(=O)n(C)[nH]1 1234254724 CNRSFRVLAMFLNM-LBPRGKRZSA-N 321.381 -0.819 30 20 DBED C#C[C@H](CC)NC(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1 1321095584 VQTSCSFGEUREEL-SECBINFHSA-N 309.347 -0.200 30 20 DBED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N(CCO)CCO)n1 1321523213 CCHDOBGKSUFXAR-UHFFFAOYSA-N 323.353 -0.739 30 20 DBED C=C(C)CN1CCC(NC(=O)C(=O)N(C)[C@@H]2CCNC2=O)CC1 1323249297 YQOKXWFCPAJMBW-CYBMUJFWSA-N 322.409 -0.510 30 20 DBED COC[C@H](CO)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N 1324611690 OPSJOWRTJUBUEU-JTQLQIEISA-N 323.353 -0.428 30 20 DBED N#Cc1cccc(NC(=O)C(=O)N2CCS(=O)(=O)CC2)n1 1326037245 FZOLEAZPHYYRPC-UHFFFAOYSA-N 308.319 -0.851 30 20 DBED C#CC1CCN(C(=O)C(=O)N(C)CCS(C)(=O)=O)CC1 1326249806 PUBPSQJCBLQQJQ-UHFFFAOYSA-N 300.380 -0.639 30 20 DBED CCOC(=O)C[C@@H]1CCCN1C(=O)C(=O)N1CCO[C@@H](C#N)C1 1326989687 BLOYSCNLVVYIKN-RYUDHWBXSA-N 323.349 -0.318 30 20 DBED CCONC(=O)CNC(=O)C(=O)N1CCc2ccc(C#N)cc21 1327323507 HBSNNBPZJAFZIN-UHFFFAOYSA-N 316.317 -0.369 30 20 DBED C=CCOCCNC(=O)C(=O)N1CCC(CC(=O)NC)CC1 1327782998 OUVCFSSAUWZKHJ-UHFFFAOYSA-N 311.382 -0.320 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CC[C@H](CN2CCCC2=O)C1 1328074708 GEOGZOUYMQYEBL-CHWSQXEVSA-N 323.393 -0.226 30 20 DBED CN(C)C(=O)OCCNC(=O)C(=O)Nc1cnn(CC#N)c1 1329647528 CGNKEXRZMKDJHR-UHFFFAOYSA-N 308.298 -0.840 30 20 DBED CN(Cc1cnc[nH]1)C(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1331997509 PBULWZQZMRNADV-CYBMUJFWSA-N 316.365 -0.433 30 20 DBED C=C(C)Cn1nnnc1N1CCC[C@@H]1CS(=O)(=O)NC 1332954190 NGIMDCPPKXVBHA-SNVBAGLBSA-N 300.388 -0.233 30 20 DBED C#CC1CCN(C(=O)C(=O)N[C@H]2CCCN(CC)C2=O)CC1 1336251572 ZLKCIBAVKJPDKC-ZDUSSCGKSA-N 305.378 -0.015 30 20 DBED Cc1nn(C)c(C)c1CNC(=O)C(=O)N1CCO[C@@H](C#N)C1 1340554170 GEEGQYOLWNYSTR-NSHDSACASA-N 305.338 -0.596 30 20 DBED C[C@@H](CNC(=O)C(=O)NCCCC#N)CN1CCN(C)CC1 1340711344 WCHCOMYEUYKQRY-ZDUSSCGKSA-N 309.414 -0.594 30 20 DBED C#CCOCCNC(=O)C(=O)NCc1cccc2c1OCO2 1340830930 LXDVZFKEJHTUGV-UHFFFAOYSA-N 304.302 -0.203 30 20 DBED COCC#CC(=O)NC[C@H](O)COc1ccc2c(c1)OCO2 1350910636 GJOCWKXEQHCSMZ-NSHDSACASA-N 307.302 -0.079 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N[C@@H]1CCCN(CC)C1=O 1354933192 KLDQBZXSISLYSN-GFCCVEGCSA-N 311.382 -0.226 30 20 DBED N#Cc1ccc(NCC(=O)N2CCC(OCC(N)=O)CC2)nc1 1362362174 VAQVRRMMODWHDZ-UHFFFAOYSA-N 317.349 -0.142 30 20 DBED Cc1nc(CN2CCN(CCNC(=O)[C@@H](C)C#N)CC2)n[nH]1 1369885401 DHMJXQGOCZXXPJ-NSHDSACASA-N 305.386 -0.493 30 20 DBED C=C(Cl)CN[C@H]1CCN(C(=O)CCCS(N)(=O)=O)C1 1370392931 TZDMXKAIVDNOTH-JTQLQIEISA-N 309.819 -0.002 30 20 DBED CNC(=O)NCC(=O)N(C)C1CCN(C(=O)[C@@H](C)C#N)CC1 1381596693 QAFFVFAUIWCXGK-JTQLQIEISA-N 309.370 -0.476 30 20 DBED C[C@@H](CNC(=O)CCn1cnccc1=O)NC(=O)[C@@H](C)C#N 1393044819 GJRGGBFSEPDRMY-QWRGUYRKSA-N 305.338 -0.586 30 20 DBED COCCN(CCNC(=O)[C@@H](C)n1cncn1)C(=O)[C@@H](C)C#N 1396154877 BIRQXKHGZLDIHY-NWDGAFQWSA-N 322.369 -0.410 30 20 DBED C[C@H](C#N)C(=O)NCCN(C)C(=O)c1ccn2nnnc2c1 1398011630 MXAXVOLVDYNLCY-SECBINFHSA-N 301.310 -0.528 30 20 DBED CCS(=O)(=O)CC(=O)NC[C@@H]1CCN1C(=O)[C@@H](C)C#N 1400413440 FWTWVTALERNJRY-UWVGGRQHSA-N 301.368 -0.702 30 20 DBED N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)Cn1cccn1 1411900680 IXUNPUKVIFOMER-UHFFFAOYSA-N 301.310 -0.047 30 20 DBED CCN(C[C@@H](C)C#N)C(=O)CN1CCn2c(CO)nnc2C1 1412975392 XLZGAIPXOFPBID-NSHDSACASA-N 306.370 -0.406 30 20 DBED CNC(=O)CN1CCCN(S(=O)(=O)CC(C)(C)C#N)CC1 1413435399 HVCSWOZNRSTHNF-UHFFFAOYSA-N 316.427 -0.380 30 20 DBED CNC(=O)NCCC(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H](C)C#N)C1 1414218835 NWSIVRFIQPYKSD-GARJFASQSA-N 309.370 -0.524 30 20 DBED CCCS(=O)(=O)CC(=O)NC[C@H](CC)NC(=O)[C@@H](C)C#N 1416232059 RXZUDMKVSCKJQO-QWRGUYRKSA-N 317.411 -0.018 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)CCc1ccncc1 1416769230 MXEBBMBATFJQMT-DGCLKSJQSA-N 304.350 -0.233 30 20 DBED C[C@@H](C#N)C(=O)N(C)C[C@H]1CCCN1C(=O)CCn1cnnn1 1423742774 VWGSXGMUGCBDQY-NWDGAFQWSA-N 319.369 -0.328 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H](CO)C[C@@H]1CCCO1 1434617799 MOEYZRUVTLSDRO-UTUOFQBUSA-N 305.400 -0.158 30 20 DBED C=C(Cl)CN1CC(O)(CNC(=O)CCCC(=O)NC)C1 1446826992 JJTVJKHULAQEIO-UHFFFAOYSA-N 303.790 -0.182 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@](C)(CNC(=O)Cn2cnnn2)C1 1454022477 PZWNDVJDBLCEGD-FZMZJTMJSA-N 319.369 -0.422 30 20 DBED COc1cccnc1C(=O)NCCn1cc(C#N)c(O)nc1=O 1470360000 AKRNFKKBOFWBLT-UHFFFAOYSA-N 315.289 -0.346 30 20 DBED N#Cc1cn(CCNC(=O)c2cncc(F)c2)c(=O)nc1O 1470361511 SIJSFLDFWORSIL-UHFFFAOYSA-N 303.253 -0.215 30 20 DBED N#Cc1cccc(S(=O)(=O)NCC(=O)NC2(CCO)CC2)c1 1472573244 UWIODIARBNVQKY-UHFFFAOYSA-N 323.374 -0.132 30 20 DBED C#CCNC(=O)CNC(=O)[C@@]1(N(C)C)COc2ccccc2C1 1548635523 DVZYDPRZBJCJJJ-KRWDZBQOSA-N 315.373 -0.213 30 20 DBED C=C(Cl)CNC(=O)c1cnn2c1S(=O)(=O)N(C)CC2 1548650614 WNJGIMJFZXHLAF-UHFFFAOYSA-N 304.759 -0.001 30 20 DBED Cn1cc(-c2nn[nH]n2)c(NC(=O)N2CC[C@](O)(CC#N)C2)n1 1570921090 NJXCKPQVNFJGHJ-GFCCVEGCSA-N 317.313 -0.517 30 20 DBED C=CCCC[C@H](N)C(=O)N1CCOC[C@@H]1CNS(C)(=O)=O 1574903983 YWLWZOCDVJOAIE-RYUDHWBXSA-N 319.427 -0.553 30 20 DBED CN(C(=O)C1CC2(CNC[C@H]2C#N)C1)[C@@H]1CCS(=O)(=O)C1 1578370138 CKBBVMJKAYJPRS-CBKZZEEASA-N 311.407 -0.229 30 20 DBED CN1CCN(C2CN(C(=O)C3CC4(CNC[C@H]4C#N)C3)C2)CC1 1578533746 WRHSOGPKRRLHBD-XOYHFGRZSA-N 317.437 -0.416 30 20 DBED N#Cc1cncc(CNC(=O)CCNC(=O)[C@H]2CCCN2)c1 1580081285 AKEPDUCTMODFKN-CYBMUJFWSA-N 301.350 -0.172 30 20 DBED C#CCN1CCN(C(=O)CN2CCC[C@@H](C)[C@H]2C(=O)O)CC1 1588429746 BVGOKXCUKRTWFT-HIFRSBDPSA-N 307.394 -0.051 30 20 DBED C=CCNCCN(CCO)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 1588662924 DCLXFHLVDRZAAU-UHFFFAOYSA-N 305.342 -0.595 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)NC1(C(=O)O)CCOCC1 1592222065 QXEFWFQVMHLMJL-SECBINFHSA-N 305.356 -0.311 30 20 DBED Cn1cc([C@H]2C[C@H](C(=O)O)CN(C(=O)NCC#CCO)C2)cn1 1594540761 QFAUUUYKWXCZMP-RYUDHWBXSA-N 320.349 -0.385 30 20 DBED CN1C[C@H](C(=O)O)N(CC(=O)Nc2ccc(C#N)cc2)CC1=O 1598564584 VPLPKMXDFMCIIM-GFCCVEGCSA-N 316.317 -0.276 30 20 DBED C#CCN(CC(=O)O)C(=O)NC1CCN(CC(=O)N(C)C)CC1 1602683358 BSNGMEQDPBGBQJ-UHFFFAOYSA-N 324.381 -0.732 30 20 DBED C[C@](C#N)(CC(=O)O)C(=O)N1CC[C@@H](CS(C)(=O)=O)C1 1602778802 NPLLZUZJUZNMLG-BXKDBHETSA-N 302.352 -0.116 30 20 DBED CC#CCN1CCN(CCNC(=O)CCc2cnn(C)n2)CC1 1752372964 MLJGVBGMTYYLKS-UHFFFAOYSA-N 318.425 -0.495 30 20 DBED N#CCNC(=O)CN[C@@H](CNC(=O)[C@@]1(F)CCOC1)C1CC1 1752479542 GBGYCHABLQGZLW-SMDDNHRTSA-N 312.345 -0.761 30 20 DBED N#CCNC(=O)CN[C@H]1C[C@H](NC(=O)[C@H]2CC23CCOCC3)C1 1752692417 UECAFDCVUBLBRL-JHJVBQTASA-N 320.393 -0.320 30 20 DBED C#CCNC(=O)CN(CCC)CCNC(=O)c1n[nH]cc1C 1753143310 OHXXCQMTCLOWGK-UHFFFAOYSA-N 305.382 -0.091 30 20 DBED C=CCNC(=O)[C@H](C)N1CC(CNC(=O)c2cnn(CC)n2)C1 1753402040 ZQQLPJMXTVHMMI-NSHDSACASA-N 320.397 -0.350 30 20 DBED C#CCNC(=O)[C@H](C)N(C)CCN(C)C(=O)C1CC(OC)C1 1753856315 XPKXNANLLUVSCN-HSBZDZAISA-N 309.410 -0.061 30 20 DBED N#CCNC(=O)CNC[C@@H]1CCC[C@H]1NC(=O)[C@@H]1[C@H]2COC[C@H]21 1753895211 MBENOAVYRUZJNY-RLPMIEJPSA-N 320.393 -0.607 30 20 DBED C=CCNC[C@@H](O)CNC(=O)c1cncc(-n2ccnn2)c1 1753922113 OANSWJSMXMIYTC-CYBMUJFWSA-N 302.338 -0.471 30 20 DBED COCC#CCN1CC[C@H]1CNC(=O)c1cc(C(N)=O)ccn1 1754503779 BOXWRKPMLDFRQA-ZDUSSCGKSA-N 316.361 -0.366 30 20 DBED C=CCCn1cc(C(=O)NCC2(N[C@@H]3CCNC3=O)CC2)nn1 1754528498 KKRPRHDFJDSQNT-LLVKDONJSA-N 318.381 -0.405 30 20 DBED C=C(C)CCN1CC2(C[C@H](NC(=O)CCNC(N)=O)CO2)C1 1755066209 WYCIVKLKFUWJEE-LBPRGKRZSA-N 310.398 -0.030 30 20 DBED CCS(=O)(=O)NCCN[C@H](C)[C@@H](C)NC(=O)C#CC1CC1 1755252219 IOCVQBIEAIATCG-VXGBXAGGSA-N 315.439 -0.178 30 20 DBED C=CCNC(=O)CN1CC(CCO)(NC(=O)c2cc(C)[nH]n2)C1 1755330783 SXKYAWQXIPIZKX-UHFFFAOYSA-N 321.381 -0.813 30 20 DBED COCC#CCNC[C@H]1C[C@H](NC(=O)[C@@H]2CCC(=O)NC2)C1 1755473959 VETCSHCVSVEXHM-MGPQQGTHSA-N 307.394 -0.353 30 20 DBED C#CCNC(=O)CN[C@@H]1C[C@H](C)N(C(=O)c2ccn(CC)n2)C1 1755687013 RTKVCAKOJVNMFF-QWHCGFSZSA-N 317.393 -0.155 30 20 DBED C#CCCN[C@H]1C[C@@H](C)N(C(=O)COCc2nncn2C)C1 1755690044 MCYWHLCNZJABQY-OLZOCXBDSA-N 305.382 -0.066 30 20 DBED CN(C[C@H](O)CNCc1cc(F)ccc1C#N)C(=O)CC(N)=O 1755774709 IZMUXCYWFTVHSU-CYBMUJFWSA-N 322.340 -0.518 30 20 DBED CN(C[C@@H](O)CNCC#N)C(=O)c1cc2c(nc1O)CCOC2 1755791086 IAUIRUJCXUHYKT-NSHDSACASA-N 320.349 -0.594 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H]1C[C@H](CNC(=O)[C@H]2CCN(C)C2)C1 1756250140 HEVLKWZPJGJYDI-APIJFGDWSA-N 321.421 -0.013 30 20 DBED C#Cc1ccc(C(=O)NC[C@H](CO)NC(=O)COCC)nc1 1756537238 AGNXHATVRHUTAZ-GFCCVEGCSA-N 305.334 -0.694 30 20 DBED C#CCCCC(=O)NCC1=CCN(C(=O)Cn2cnnn2)CC1 1756766750 MVXWGNORKXCESK-UHFFFAOYSA-N 316.365 -0.249 30 20 DBED C#CCNC(=O)CNS(=O)(=O)c1ccc(C(=O)O)cc1C 1776135027 DVYBZIVZBKWHOS-UHFFFAOYSA-N 310.331 -0.279 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccnnc1)CCO2 1783047826 JJTNBDIQHHJJRQ-HNNXBMFYSA-N 300.318 -0.447 30 20 DBED C[C@H](S)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](C)CN)CCO2 1783890826 WFBVCGHSTYDUDF-UHIISALHSA-N 315.439 -0.271 30 20 DBED C=CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CNC(=O)O1)CCO2 1783915927 SVJGOQBOSCBABF-NHYWBVRUSA-N 323.349 -0.499 30 20 DBED CC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC#N 1795083169 LOXJACXTHRRQCL-JJLQDPRZSA-N 307.350 -0.141 30 20 DBED C=CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)NC=O 1799293254 RIKQBGCMIOHWJS-NRWUCQMLSA-N 309.366 -0.713 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ocnc1C)C2 1800451204 RINCBGGBEAMETJ-PTEHBNRSSA-N 303.318 -0.181 30 20 DBED C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@@](C)(O)CC(=O)O 1802331030 LVWOSMNRDVDEKF-AZKPJATDSA-N 322.361 -0.126 30 20 DBED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)CC(=O)NC)C2 1841598285 APQWAMFVICFKCD-GFCCVEGCSA-N 321.377 -0.636 30 20 DBED C[C@H](S)C(=O)N1CC2(CCCN2C(=O)c2ncn(C)n2)C1 1842355296 GJBUFTUQRDEQOC-VIFPVBQESA-N 309.395 -0.050 30 20 DBED C#CC(=O)N1CC2(CCCN2C(=O)c2ccn(CCOC)n2)C1 1843515758 FLNBXQYPHMNPOV-UHFFFAOYSA-N 316.361 -0.020 30 20 DBED C#CC(=O)N1CC2(CCCN2C(=O)c2n[nH]cc2[N+](=O)[O-])C1 1844412706 IPXVIBMHQHVSIN-UHFFFAOYSA-N 303.278 -0.232 30 20 DBED C[C@H](S)C(=O)N1CCCC12CN(C(=O)COCCO)C2 1846370019 QSTDICCRVFULSE-JTQLQIEISA-N 302.396 -0.483 30 20 DBED C#CCN1CCC(C(=O)N2CCN(S(C)(=O)=O)CC2)CC1 57138683 AELKGYALBXOOGJ-UHFFFAOYSA-N 313.423 -0.565 30 20 DBED N#CCC1(O)CN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)C1 192893037 MZKUBMFVVSOAEL-UHFFFAOYSA-N 308.319 -0.495 30 20 DBED C=CCSCCNC(=O)C(=O)N(C[C@@H](C)O)[C@@H](C)CO 286587775 VSZNTJCCRLFELP-WDEREUQCSA-N 304.412 -0.388 30 20 DBED N#Cc1ncn(CCNC(=O)NCCN2CCSCC2)n1 286636541 JXOWYJHQANTEMK-UHFFFAOYSA-N 309.399 -0.502 30 20 DBED CN1C[C@H](N/C(O)=N/C[C@H]2CCCN2S(C)(=O)=O)CC1=O 328791224 LXTICDCAWYHANH-NXEZZACHSA-N 318.399 -0.855 30 20 DBED C[C@@H](CN1CCOCC1)NS(=O)(=O)N(C)[C@@H](C)CC#N 330419262 QGLRKKWHEKHMPI-RYUDHWBXSA-N 304.416 -0.225 30 20 DBED COCCN(CCC#N)S(=O)(=O)N(CC(=O)OC)C(C)C 336920134 QXEVRMXJSVPVSU-UHFFFAOYSA-N 321.399 -0.023 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N[C@@H]1CCC[C@H]1C(=O)NC 345578549 DOQTZDIZBBRYEG-VXGBXAGGSA-N 311.382 -0.322 30 20 DBED C=C[C@@H](CO)NC(=O)CCC(=O)Nc1ccc2nc(O)[nH]c2n1 356858886 UVSRQQBLSZICCS-QMMMGPOBSA-N 319.321 0.045 30 20 DBED C=CCOC[C@@H](NC(=O)CSc1n[nH]c(O)n1)C(=O)OC 357678027 WMBCSMYIUVCIJN-SSDOTTSWSA-N 316.339 -0.537 30 20 DBED C=CCNc1nnc(S(=O)(=O)CCCNC(C)=O)s1 358735337 NYBWMTATMZRRBH-UHFFFAOYSA-N 304.397 0.436 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@H]1CC[C@H](O)CC1 409484856 IPZBDHPFIMKGFD-HAQNSBGRSA-N 305.400 -0.014 30 20 DBED N#Cc1ccc(NC(=O)C(=O)N2CC[C@H](S(N)(=O)=O)C2)cc1 440266908 MZMPZSCKWQSBAY-NSHDSACASA-N 322.346 -0.614 30 20 DBED C#CCN1CCN(C(=O)CSc2nc(N)nc(CC)n2)CC1 490892936 PLTMODMULNIKDP-UHFFFAOYSA-N 320.422 -0.114 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)C2CC(OCC)C2)CC1 491750220 HTHCRNVGBXXHJH-UHFFFAOYSA-N 307.394 -0.305 30 20 DBED C[C@@H](NC(=O)Cn1cnc(C#N)n1)C(=O)NCc1ccccc1 495075884 VTNJPELVIFWGHC-LLVKDONJSA-N 312.333 -0.029 30 20 DBED C=CCOC[C@@H](NC(=O)c1ccc2nnnn2c1)C(=O)OC 514836716 ZFMFBVMZLMRWIY-SNVBAGLBSA-N 305.294 -0.402 30 20 DBED N#Cc1ccncc1N1CCN(S(=O)(=O)C2COC2)CC1 520311783 RVHFXZDRXHEZGI-UHFFFAOYSA-N 308.363 -0.196 30 20 DBED COC(=O)CCNC(=O)CN(C)CCCc1[nH]nc(N)c1C#N 534833976 UOIQPJLQMHYJIC-UHFFFAOYSA-N 322.369 -0.593 30 20 DBED C[C@@H](C#N)CNC(=O)N1CCN(C(=O)CN2CCOCC2)CC1 542877406 MJXVZSTUEHATRF-ZDUSSCGKSA-N 323.397 -0.668 30 20 DBED C[C@@H]1CC[S@@](=O)CCN1c1c(C#N)c(=O)n(C)c(=O)n1C 562421020 DHNCEDCALUGKSB-AOUSDQRYSA-N 310.379 -0.697 30 20 DBED CCNC(=O)N1CC[C@@H](NC(=O)N2CC[C@](O)(CC#N)C2)C1 591988182 PQQCAYIIQCTEHG-BXUZGUMPSA-N 309.370 -0.150 30 20 DBED CCn1cc(C#N)c(=O)n(Cc2nnn(C(C)(C)C)n2)c1=O 594444039 XBZBHQLMAOAAOP-UHFFFAOYSA-N 303.326 -0.309 30 20 DBED N#CC1(CN2C(=O)N[C@H](CC(=O)N3CCOCC3)C2=O)CCC1 594888668 ANMVCFYAYQCUMO-LLVKDONJSA-N 320.349 -0.150 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1CC[C@H]2NC(=O)CC[C@H]2C1 595743069 PPZKTJNDFLPWFR-SDDRHHMPSA-N 308.382 -0.013 30 20 DBED N#C[C@H]1CN(S(=O)(=O)NC[C@H](C(=O)O)C2CCC2)CCO1 596025785 ZNWGUFZJVBWQRU-QWRGUYRKSA-N 317.367 -0.454 30 20 DBED CN1C(=O)C[C@H](NC(=O)CNC(=O)c2ccc(C#N)cc2)C1=O 619873248 FAVLQKRSPVRSTQ-NSHDSACASA-N 314.301 -0.838 30 20 DBED C=CCCOCC(=O)N1CCN(C(=O)N2CCNCC2)CC1 638479727 SREGTRRTFGBUNB-UHFFFAOYSA-N 310.398 -0.252 30 20 DBED C=C[C@@H]1OCC[C@H]1NC(=O)N1CCN(CC(=O)N(C)C)CC1 656183690 RAWJNGFZIWQYGA-OLZOCXBDSA-N 310.398 -0.255 30 20 DBED C=CCNC(=O)CNC(=O)c1ccc(C)c(S(N)(=O)=O)c1 679120420 BFIWKXXUUQDGDG-UHFFFAOYSA-N 311.363 -0.326 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)c2ccnn2CC)CC1 681257809 FLIGPAFHMVTAPC-UHFFFAOYSA-N 305.382 -0.037 30 20 DBED CC#CC[C@H](CO)NC(=O)CS[C@H]1CCS(=O)(=O)C1 717748962 LAHNMXRTYNKPEU-MNOVXSKESA-N 305.421 -0.203 30 20 DBED C#Cc1cccc(NC(=O)CN(C)C(=S)NCC(N)=O)c1 727078353 QRJMWLZLRJGAMN-UHFFFAOYSA-N 304.375 -0.102 30 20 DBED C#Cc1ccc(C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)nc1 728809665 ZLYDSDSABJUNGI-UHFFFAOYSA-N 322.390 -0.373 30 20 DBED C=CCN1CCC(NC(=S)NCCNS(C)(=O)=O)CC1 729942275 DPDCCEHVOGTLIF-UHFFFAOYSA-N 320.484 -0.350 30 20 DBED C=CCS(=O)(=O)CCNC(=O)[C@]12CCC(=O)N1CCS2 783618122 NEYODINQGBPIFX-GFCCVEGCSA-N 318.420 -0.231 30 20 DBED C#CCOCCC(=O)O[C@H](C)C(=O)N[C@H]1CCS(=O)(=O)C1 784365992 KBCJYHVJFNNJII-MNOVXSKESA-N 317.363 -0.739 30 20 DBED C#CCOc1cc(F)ccc1NC(=O)C(=O)NOCC(N)=O 785390124 XQBHRHCHFYVVBO-UHFFFAOYSA-N 309.253 -0.691 30 20 DBED COC(=O)COCC(=O)OCc1cc(O)n2ncc(C#N)c2n1 803801611 JVSSTVXCPMJAGX-UHFFFAOYSA-N 320.261 -0.461 30 20 DBED C#C[C@@H](NC(=O)C(=O)N(C)CCN1CCCC1)[C@@H]1CCCO1 809313189 ROLWXNSVXNVGDF-KGLIPLIRSA-N 307.394 -0.162 30 20 DBED N#Cc1cccc(C(=O)OCC(=O)N2CCCC[C@@H]2C(N)=O)n1 811251329 GNCAHUKUIFSXHN-GFCCVEGCSA-N 316.317 -0.024 30 20 DBED C#CCOCCC(=O)NC1CCN([C@@H]2CCN(C)C2=O)CC1 820627088 LRCMSELOZHXFIE-CQSZACIVSA-N 307.394 -0.162 30 20 DBED C#CCCN(CC(F)(F)F)C(=O)CNS(=O)(=O)N(C)C 832276358 UEJQDUHIBNVZNF-UHFFFAOYSA-N 315.317 -0.203 30 20 DBED C#CCNC(=O)CN1CCN(c2cncc(C(=O)O)n2)CC1 833365372 HIKAMYBIPUOEAD-UHFFFAOYSA-N 303.322 -0.954 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CC[C@H](C)[C@@H](CN)C1)[C@H]1CCCO1 842164319 USRGABDZLRWROM-XDQVBPFNSA-N 307.394 -0.273 30 20 DBED N#CCCN1CCN(C(=O)C(=O)NCCc2ccncc2)CC1 875035632 WAXRRDXBXVEVRW-UHFFFAOYSA-N 315.377 -0.202 30 20 DBED C#CCN1CCC[C@H](NC(=O)NCCCN2C(=O)CNC2=O)C1 884135667 QJBGJGYCOMZXDN-LBPRGKRZSA-N 321.381 -0.675 30 20 DBED C#CC1(O)CN([C@@H](C)C(=O)N2CCN(c3ccccn3)CC2)C1 934448122 ZJLMTXBZVRKFIG-AWEZNQCLSA-N 314.389 -0.201 30 20 DBED CN(C(=O)Cn1cncn1)[C@H]1CCN(C(=O)C#CC2CC2)C1 937354345 XSQPRNXODMISDR-ZDUSSCGKSA-N 301.350 -0.249 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)c2cccnc2C(N)=O)C1 938052981 SIEXWVCBUUPKNY-UWVGGRQHSA-N 315.333 -0.329 30 20 DBED O=C(NC[C@H]1CN(C(=O)C#CC2CC2)CCO1)c1cnn[nH]1 944669892 LYUADWHYLZLYLK-NSHDSACASA-N 303.322 -0.825 30 20 DBED Cc1nn(CC(=O)N[C@@H]2CCN(CC#N)[C@H](C)C2)c(=O)n1C 947984651 JFWFOGKEDMPGLH-ZYHUDNBSSA-N 306.370 -0.617 30 20 DBED C[C@H](C#N)C(=O)N1CCC(NC(=O)c2ccc(=O)n(C)n2)CC1 948099740 XEVHRYIZPOHCID-SNVBAGLBSA-N 317.349 -0.339 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CNC(=O)[C@H]2CNC(=O)N2)CC1 949387698 QYQFIAUZLOVSAS-GXSJLCMTSA-N 307.354 -0.818 30 20 DBED C=CCn1cc(C(=O)N2CCN([C@H](C)C(=O)N(C)C)CC2)nn1 951559641 GJLPEIJRFLMUNS-GFCCVEGCSA-N 320.397 -0.301 30 20 DBED CCN1C[C@H](C(=O)N(C)C2CN(C(=O)[C@@H](C)C#N)C2)CC1=O 954485706 FTEFDSWDROAJRG-WDEREUQCSA-N 306.366 -0.316 30 20 DBED C[C@]1(NC(=O)C2CS(=O)(=O)C2)CCN(C(=O)C#CC2CC2)C1 956987731 CVYJOKVLAQEAFN-HNNXBMFYSA-N 324.402 -0.448 30 20 DBED C#CCCN1C[C@H](CNC(=O)c2ccc(=O)n(C)c2)[C@@H](O)C1 958203457 QPJKPENKCKTMOY-KBPBESRZSA-N 303.362 -0.569 30 20 DBED C=CCN1C[C@@H](O)[C@H](CNC(=O)c2ccc3nnc(O)n3c2)C1 958476702 OHEYXMOKBNXSOU-VXGBXAGGSA-N 317.349 -0.357 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2nc3nccc(C)n3n2)C1 958646014 ZKSZEMJBYCPBCW-NWDGAFQWSA-N 314.349 -0.912 30 20 DBED CO[C@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C#N)[nH]2)C1 958826257 NJOYDTCNBHVMAZ-ICCXJUOJSA-N 320.349 -0.435 30 20 DBED CN(C(=O)[C@]1(C)CCOC1)[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 958940947 YIBAQSRVCHZLHB-GRDNDAEWSA-N 320.389 -0.144 30 20 DBED C=C1CC(C)(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@H]3COCCO3)C2)C1 961658337 GMVLQKLPPFGSPC-FRRDWIJNSA-N 324.377 -0.554 30 20 DBED COc1c(O)nc(O)nc1C(=O)N[C@H]1[C@@H]2CN(CC#N)C[C@@H]21 962278524 GYLGVRCGNBZWNR-JIGDXULJSA-N 305.294 -0.920 30 20 DBED CCOc1cc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)[nH]n1 967975723 KHWQAUXEMUZINX-IEBDPFPHSA-N 321.337 -0.730 30 20 DBED N#Cc1ccc(C(=O)N2C[C@@H]3CC[C@H](C2)N3C(=O)C(N)=O)[nH]1 969782978 ZYHHEMUOWGCCFI-AOOOYVTPSA-N 301.306 -0.813 30 20 DBED C=CCCn1cc(C(=O)N2CC[C@@H](N[C@@H]3CCNC3=O)C2)nn1 970223844 CHZOOAUPFLSLPG-VXGBXAGGSA-N 318.381 -0.453 30 20 DBED C=CCCn1cc(C(=O)N[C@H](C)C2CN([C@H](C)C(N)=O)C2)nn1 970553412 WFWXPRQBLIFJOP-GHMZBOCLSA-N 320.397 -0.222 30 20 DBED CC#CCN1C[C@H]2CC[C@H]1CN2C(=O)[C@H]1CN(C(C)=O)CCO1 972070147 PLYCIJGUYHCKBY-ARFHVFGLSA-N 319.405 -0.068 30 20 DBED C#CCCN1CCO[C@@]2(CCN(C(=O)C(C)(C)C(N)=O)C2)C1 972423408 UNCDNDZKQNTWOP-INIZCTEOSA-N 307.394 -0.176 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)[C@@]3(CC)CCNC3=O)C2)C1 972424136 ZGTLCHOEYZPDJR-SJORKVTESA-N 319.405 -0.161 30 20 DBED C#CCN(C)[C@H]1CCN(C(=O)c2nc(O)nc(O)c2OC)C1 972719821 AWCHKSKUDWRHBG-VIFPVBQESA-N 306.322 -0.324 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)Cc3ccnn3C)[C@H]2C1 976420267 MAKZGEIUPYFJRU-WUWHUORYSA-N 301.350 -0.305 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)[C@H]3C[C@H]3C(=O)N(C)C)[C@H]2C1 977202580 KHZZMIDIQHAZKW-ASHHDVGLSA-N 318.377 -0.557 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]1CN(C)C(=O)c1cn(C)c(=O)n1C 977889391 YVADWCZVIIIOMO-WDEREUQCSA-N 319.365 -0.444 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2C[C@H](NC(=O)C(N)=O)C2)cn1 980082399 SSPCGKUIUJHRJM-OTCDBFHCSA-N 300.318 -0.827 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCCN([C@H]3CCC(=O)NC3=O)C2)C1 981671745 GLOYYYIMBWFTDP-RYUDHWBXSA-N 318.377 -0.124 30 20 DBED C#CCN[C@@H]1CCN(C(=O)c2cn(CC(=O)N(C)C)nn2)[C@@H]1C 987573375 APPZUBBCLXUMKW-VXGBXAGGSA-N 318.381 -0.808 30 20 DBED C=CCn1cc(C(=O)N2CC(NC(=O)C3=CCOCC3)C2)nn1 990986726 QWLRBAZQPWAAAU-UHFFFAOYSA-N 317.349 -0.249 30 20 DBED C=CCCn1cc(C(=O)N[C@@H]2CCN(C(C)=O)C[C@H]2O)nn1 991496530 DOGZXVIJUSXOPO-DGCLKSJQSA-N 307.354 -0.434 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CN(C(=O)Cn3cnnn3)C[C@@]2(C)C1 993344506 NEEDDAUFIYUJFK-WDMOLILDSA-N 317.353 -0.860 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN(C(=O)c2ccnn2C)C1 994752807 VUFWRFNXRQIDBG-ZDUSSCGKSA-N 315.377 -0.542 30 20 DBED N#Cc1c[nH]c(C(=O)NCC2CN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C2)c1 1001347780 RQFRUTYZIZYWGT-IMRBUKKESA-N 314.345 -0.033 30 20 DBED N#CCN1CCC(CNC(=O)[C@@H]2CCc3nnnn3CC2)CC1 1001872170 UXXAPRGSVANKSF-CYBMUJFWSA-N 317.397 -0.023 30 20 DBED C=CCN1CC[C@@H](N2CC[C@@H](NC(=O)C3=COCCO3)C2)C1=O 1010019515 HGVIEUBRAWYDGI-CHWSQXEVSA-N 321.377 -0.148 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2C(NC(=O)c3cc(C(N)=O)co3)[C@H]2C1 1013789111 QGGUWYKINALAEA-JEZHCXPESA-N 316.317 -0.275 30 20 DBED C#CCN1CCC2(CC1)C[C@@H]2NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 1016836381 WULBSTMNPVEMEA-XQQFMLRXSA-N 305.378 -0.377 30 20 DBED C[C@@H](C#N)C(=O)N1CC=C(CNC(=O)[C@@H]2CCNC(=O)C2)CC1 1017375928 TWZIDBMGYLRYAP-WCQYABFASA-N 318.377 -0.053 30 20 DBED C#CCN1CCN(C(=O)[C@H]2CCCN(C(=O)COC)C2)CC1 1018357225 CJJSSGYDKNJVGN-AWEZNQCLSA-N 307.394 -0.351 30 20 DBED C=CCCn1cc(C(=O)N2CC[C@H](N[C@H](CC)C(N)=O)C2)nn1 1019494040 XTZWNCVLEIDQBS-NWDGAFQWSA-N 320.397 -0.078 30 20 DBED N#CCN[C@H]1C[C@H](NC(=O)Cn2nc3n(c2=O)CCCC3)C1 1020889596 IOXHUISIFGSQBD-XYPYZODXSA-N 304.354 -0.859 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@H]2O)C1 1025545771 MZXAUURSPXYXOA-WRWGMCAJSA-N 321.377 -0.848 30 20 DBED Cc1nn(CC(=O)N2CCC[C@H](N(C)CC#N)C2)c(=O)n1C 1027667958 ZONWDCWHVITJAX-LBPRGKRZSA-N 306.370 -0.663 30 20 DBED COCCn1nc(C(=O)NC[C@@H]2CCN(CC#N)C2)ccc1=O 1028677096 SKSUKGBISLNUCE-LBPRGKRZSA-N 319.365 -0.535 30 20 DBED O=C1CC[C@@H](N2[C@H]3CC[C@H]2CN(C(=O)C#CC2CC2)C3)C(=O)N1 1029302970 XVYXBFLYKHOGLG-MELADBBJSA-N 315.373 -0.120 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)[C@@]3(C)CCNC3=O)C2)C1=O 1030946270 FUDYXTDOEMZDMZ-WBMJQRKESA-N 320.393 -0.900 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN([C@@H]2CCNC2=O)C1 1032827148 JPRWEFYHJDJVBJ-MELADBBJSA-N 304.394 -0.837 30 20 DBED C#CCN1CCO[C@H](CNC(=O)[C@H]2CC(=O)N(CC(C)C)C2)C1 1035391410 ONPXPHOCIDDCML-LSDHHAIUSA-N 321.421 -0.059 30 20 DBED C#CCN1CCO[C@H](CNC(=O)c2cccnc2C(N)=O)C1 1035608574 FVERQLNUFROICI-LLVKDONJSA-N 302.334 -0.756 30 20 DBED C#CCCN1CCO[C@@H](CNC(=O)c2cncc(C(N)=O)c2)C1 1035615244 XEAZZZLUVPXVFA-AWEZNQCLSA-N 316.361 -0.366 30 20 DBED C#CCN1CC2(CCN(C(=O)c3cc(=O)n(C)cn3)CC2)C1 1035726345 RDRNRMBTPJHBIL-UHFFFAOYSA-N 300.362 -0.049 30 20 DBED C#CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)C1(n2cnnn2)CCOCC1 1037620800 RYYRQITYVSYLPY-AGIUHOORSA-N 316.365 -0.999 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCN1Cc1nnn(C)n1 1038710715 PJSBXDCVZYPPPL-TUAOUCFPSA-N 306.370 -0.508 30 20 DBED CCCN(C)CC(=O)N1CC[C@@](O)(CNC(=O)C#CC2CC2)C1 1039680250 BLSGYEIMSUODRR-QGZVFWFLSA-N 321.421 -0.179 30 20 DBED C#CCN1CCC[C@]2(CCN(C(=O)[C@@H]3CN(C)C(=O)N3)C2)C1 1040327996 IZGMSSSTIJBYGB-BBRMVZONSA-N 304.394 -0.042 30 20 DBED Cc1cnoc1C(=O)N1CC[C@@](O)(CNC(=O)[C@@H](C)C#N)C1 1040759283 GWIUFCKWRASFLR-LKFCYVNXSA-N 306.322 -0.164 30 20 DBED CO[C@H](C)CC(=O)N1CC(O)(CNC(=O)CSCC#N)C1 1041569186 QRMOACYHSKIGCX-SNVBAGLBSA-N 315.395 -0.642 30 20 DBED Cc1cc(C(=O)NCC2(O)CN(C(=O)C#CC3CC3)C2)nn1C 1041750050 FDCCMQFTZIKQMF-UHFFFAOYSA-N 316.361 -0.555 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)[C@H]2C[C@H]3CC[C@H]2O3)C1 1042171285 SNLTWBJJHWCYDS-HZSPNIEDSA-N 320.389 -0.097 30 20 DBED C#CCCCCC(=O)NCC1(O)CN(C(=O)Cc2nc[nH]n2)C1 1042663958 KEGIXXDMZMOQIY-UHFFFAOYSA-N 319.365 -0.770 30 20 DBED C#CCNC(=O)CC(=O)NCC1(O)CN(C(=O)CC2CCC2)C1 1042672295 LDELYPJQTWCVSX-UHFFFAOYSA-N 321.377 -0.994 30 20 DBED Cc1cc(CC(=O)N2CC(O)(CNC(=O)C#CC3CC3)C2)n[nH]1 1042959326 WFIIIJHUGYICHC-UHFFFAOYSA-N 316.361 -0.636 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)c2cc(=O)n(C)cn2)C1 1043661291 ZJBIVNYVGQITEG-UHFFFAOYSA-N 320.349 -0.950 30 20 DBED CC[C@H](C(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1)N(C)C 1043677715 KRQLYICHZWUDRB-CYBMUJFWSA-N 307.394 -0.571 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)[C@H]3COCCO3)C2)cn1 1043862028 RRVGHIDARRQYBL-HZSPNIEDSA-N 318.333 -0.966 30 20 DBED N#Cc1cncc(N2C[C@H](O)[C@H](NC(=O)C[C@H]3CCOC3)C2)n1 1043885430 BTTJKYUGDLATEZ-RTXFEEFZSA-N 317.349 -0.559 30 20 DBED Cc1cc(O)ncc1C(=O)NCC1(O)CN(C(=O)[C@H](C)C#N)C1 1046370734 DNSDMMXDEAQKCJ-SNVBAGLBSA-N 318.333 -0.442 30 20 DBED CN(C(=O)Cc1nc(C2CC2)nn1C)[C@H]1CN(CC#N)C[C@@H]1O 1047634437 FNUNWPZPXXNEEM-RYUDHWBXSA-N 318.381 -0.738 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cc2ccnn2C)C1 1048745030 ILTXUCGLAJIRIH-KBPBESRZSA-N 320.393 -0.041 30 20 DBED C#CCCCC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CCCO2)C[C@@H]1O 1048750196 NBSVXPCNMQATDG-IHRRRGAJSA-N 308.378 -0.001 30 20 DBED Cc1nc(O)[nH]c1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)C#N)C1 1049402116 PIDSYYWGFKRIAN-HGNGGELXSA-N 321.337 -0.773 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)[C@H]2CCCN2C)C[C@@H]1O 1049407037 AYTCEQRRZIYWDO-RNJOBUHISA-N 308.382 -0.730 30 20 DBED C=C(C)CCN1CCOC[C@@H]1CNC(=O)C1CC(=O)NC(=O)C1 1051164834 YVWANUMOCYMKHK-ZDUSSCGKSA-N 323.393 -0.178 30 20 DBED COc1cncc(CNC[C@H]2CN(C(=O)[C@H](C)C#N)CCO2)n1 1051495007 QESCCZXHNHZWKL-YPMHNXCESA-N 319.365 -0.038 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)[C@H]1CN(C)C[C@@H](C)O1)CCO2 1053304850 RIIMQHIYJNZKIG-HUUCEWRRSA-N 321.421 -0.358 30 20 DBED CN1CC[C@@H](C(=O)NC[C@@H]2CCC3(CN(CC#N)C3)O2)C1=O 1053642752 JJPAHFYAFQLCRK-RYUDHWBXSA-N 306.366 -0.662 30 20 DBED C=C(C)CCN1CC2(C[C@H](NC(=O)[C@@H]3CN(C)C(=O)N3)CO2)C1 1053890642 CWJQSECDESGNLN-STQMWFEESA-N 322.409 -0.064 30 20 DBED Cn1cc(C(=O)NC2[C@H]3CN(c4ccc(C#N)nc4)C[C@H]23)nn1 1056199687 YOYFQBVSKBNCFO-RYUDHWBXSA-N 309.333 -0.054 30 20 DBED Cn1ccc(C(=O)NC2[C@@H]3CN(c4cnc(C#N)cn4)C[C@@H]23)n1 1056225896 PJVPXJBSIUSWEJ-GHMZBOCLSA-N 309.333 -0.054 30 20 DBED N#Cc1ccc(N2C[C@H]3[C@H](NC(=O)Cn4ncnn4)[C@H]3C2)cn1 1056310393 SEKKSGUTXBKIMD-IMRBUKKESA-N 310.321 -0.809 30 20 DBED C[C@@H](C(=O)N1CC[C@@H](N=c2cc[nH]c(C#N)n2)C1)n1cncn1 1056608942 AOLZUCKRCDYUAL-WDEREUQCSA-N 312.337 -0.364 30 20 DBED C#CCOCCC(=O)NCCN(CCO)C(=O)c1cc(C)no1 1056948787 PHMGZCAUNJJOOO-UHFFFAOYSA-N 323.349 -0.426 30 20 DBED C=CCCOCC(=O)N(CCO)CCNC(=O)c1n[nH]cc1C 1057918927 FKJXNIQVYQUNPF-UHFFFAOYSA-N 324.381 -0.138 30 20 DBED Cn1nncc1C(=O)N[C@H]1CCCN(c2cncc(C#N)n2)C1 1058152402 RYQJNHBWTPQZFF-JTQLQIEISA-N 312.337 -0.124 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)[C@]1(C)CCCOC1 1058654739 GPWRTEIQOBMNGT-SWLSCSKDSA-N 311.382 -0.100 30 20 DBED Cc1cc(C#N)nc(N[C@H]2CCN(C(=O)[C@@H]3COC(=O)N3)C2)n1 1058883371 CJTGRARHGBXZGF-ONGXEEELSA-N 316.321 -0.222 30 20 DBED C=CCOCC(=O)NCC[C@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 1060277628 LEDGFZWWRJNHFX-LBPRGKRZSA-N 323.393 -0.191 30 20 DBED CNC(=O)CC(=O)N1CCC2(CC1)CN(C(=O)C#CC1CC1)C2 1060999364 OKOBBMCRNWKRLT-UHFFFAOYSA-N 317.389 -0.013 30 20 DBED C#CCC1(C(=O)NC[C@H]2COCCN2C(=O)C(N)=O)CCC1 1061636426 IEZNZKMZOPFBLB-NSHDSACASA-N 307.350 -0.991 30 20 DBED C#CCCCC(=O)N1CCOC[C@H]1CNC(=O)CNC(=O)NC 1061646038 HZOZYFVPIZVOEI-GFCCVEGCSA-N 324.381 -0.938 30 20 DBED Cn1ncc(C(=O)N2C[C@@H]3CC[C@H](C2)N3c2cncc(C#N)n2)n1 1061972948 KLJMGRBPTXKGKW-TXEJJXNPSA-N 324.348 -0.030 30 20 DBED C=CCCO[C@H](C)C(=O)NCC1(NC(=O)CC(N)=O)CCC1 1062667648 FHHXPHXZIZEPAY-LLVKDONJSA-N 311.382 -0.002 30 20 DBED C=CCOCC(=O)NCC1(NC(=O)[C@@H]2COCCO2)CCC1 1062702415 PNFHXXFKQAHFPJ-LBPRGKRZSA-N 312.366 -0.241 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)C2CC(=O)NC(=O)C2)CCC1 1063639612 UCURDZPGMQZZSJ-VIFPVBQESA-N 320.349 -0.646 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CN(C(=O)Cn2cccn2)CCO1 1064855316 QNJFCWZSIJHXNK-NWDGAFQWSA-N 305.338 -0.614 30 20 DBED C=CCCC(=O)N1CCO[C@H](CNC(=O)c2cc(=O)n(C)o2)C1 1064955784 LJKDQZJSEOQDBI-LLVKDONJSA-N 323.349 -0.098 30 20 DBED Cc1c(C(=O)N2CCO[C@@H](CNC(=O)[C@@H](C)C#N)C2)nnn1C 1065007316 GFJACYZBGZWOCE-ONGXEEELSA-N 320.353 -0.760 30 20 DBED CCNC(=O)CC(=O)N1CCO[C@H](CNC(=O)C#CC(C)C)C1 1065067138 KCFDUZYXHLQSPJ-CYBMUJFWSA-N 323.393 -0.484 30 20 DBED C[C@H]1CN(C(=O)CS(C)(=O)=O)C[C@@H]1N=c1cc[nH]c(C#N)n1 1067049466 LXYRLRXIWJGGJU-UWVGGRQHSA-N 323.378 -0.926 30 20 DBED C=CCCC(=O)N1CC2(CC[C@H](CNC(=O)CNC(C)=O)O2)C1 1068497558 PCKXXHTYJXSVRP-CYBMUJFWSA-N 323.393 -0.035 30 20 DBED C=CCN1CCn2ncc(CNC(=O)[C@@H]3COCCN3C)c2C1 1069858349 QEYWPFCSZDQLDR-HNNXBMFYSA-N 319.409 -0.169 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)Cc2nnc(C)o2)C1 1069920335 HMZAMLAMGOSINW-NEPJUHHUSA-N 317.353 -0.260 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2cnnc(O)c2)C1 1069951513 TWNVIETWGOCZDX-NEPJUHHUSA-N 313.321 -0.938 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)c2cc[nH]n2)CCOCC1 1070002033 AIWLTLPIOZJSNN-SNVBAGLBSA-N 305.338 -0.035 30 20 DBED CC(C)(C)C#CC(=O)NC1(CNC(=O)CC(N)=O)CCOCC1 1070112274 RQFSKEGACGFSHB-UHFFFAOYSA-N 323.393 -0.307 30 20 DBED N#CCN[C@@H]1CCO[C@H]1C1CCN(C(=O)c2cnn[nH]2)CC1 1071067077 IQFYGXKJKSTLJM-YPMHNXCESA-N 304.354 -0.072 30 20 DBED C=CCOCC(=O)N1C[C@H](C)[C@@H](NC(=O)c2[nH]nnc2C)C1 1071805070 KHWKJSQFNMYABE-ONGXEEELSA-N 307.354 -0.108 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(C(=O)Cn2cnnc2O)C[C@@H]1C 1071943600 PEPQVKLJIMCHMT-NWDGAFQWSA-N 319.365 -0.394 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)c2ccn(CCOC)n2)C1 1073690613 AQOJFESMAUPVTO-CQSZACIVSA-N 320.393 -0.017 30 20 DBED C=C(C)CN1CCO[C@@H]2CCN(C(=O)c3nnn(C)n3)C[C@@H]21 1074317579 SAKVHBPUBKJZPH-NWDGAFQWSA-N 306.370 -0.299 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CCN(C(=O)[C@H]2CCN(C)C2)CC1 1074593458 TWSWCLZJQPXOCB-OLZOCXBDSA-N 322.409 -0.433 30 20 DBED C=CCOCC(=O)N1CC[C@@H](NC(=O)CNC(C)=O)C[C@H]1C 1074774179 WATPQASNXLQCHV-DGCLKSJQSA-N 311.382 -0.179 30 20 DBED C[C@@H](CCNC(=O)CSCC#N)NC(=O)CC(=O)N(C)C 1075678390 ZFTUYASQFHCBNB-JTQLQIEISA-N 314.411 -0.268 30 20 DBED C=CCN1CC[C@H](N2C[C@@H](O)[C@H](NC(=O)c3ccc[nH]3)C2)C1=O 1076737490 MOAJIBABDPEASM-HZSPNIEDSA-N 318.377 -0.424 30 20 DBED C[C@@H](CCNC(=O)Cn1ccc(O)nc1=O)NC(=O)[C@H](C)C#N 1077236902 YMROMCOQBPPUKI-ZJUUUORDSA-N 321.337 -0.880 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)[C@@]2(C)CCC(=O)NC2)C1 1077549799 DJVLJDUEVOOMSZ-GYSYKLTISA-N 315.801 -0.184 30 20 DBED Cn1cc(C(=O)N[C@H]2C[C@@H](NCC#N)C23CCC3)n(C)c1=O 1078824181 ZUMARKSTCMQGJZ-NEPJUHHUSA-N 303.366 -0.122 30 20 DBED C#CCNC(=O)CC(=O)N(CC)C1CN(C(=O)[C@H](C)OCC)C1 1079644275 AVFIQVXIYCXQMC-LBPRGKRZSA-N 323.393 -0.390 30 20 DBED CCN(C(=O)C#CC1CC1)C1CN(C(=O)[C@H]2CN(C)C(=O)N2)C1 1079742918 QIULMRUDMBZHEN-CYBMUJFWSA-N 318.377 -0.517 30 20 DBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC(N(CC)C(=O)C(N)=O)C1 1080407108 OLAFGVRRPVSDIK-STQMWFEESA-N 323.393 -0.098 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC(CO)(NC(=O)[C@@H](C)C#N)CC1 1080982259 WXYWQZMBWRICAW-STQMWFEESA-N 321.377 -0.346 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2cc(C)on2)C[C@H]1O 1081345066 YCXLMXAERGSDQD-WCQYABFASA-N 323.349 -0.265 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)CCN(C)C)C[C@H]1O 1081439214 NIDCQASMGOYGHX-UONOGXRCSA-N 309.410 -0.323 30 20 DBED C=C(C)CCC(=O)NC[C@H]1CN(C(=O)Cc2nc[nH]n2)C[C@@H]1O 1081534647 YIMVEJLOFOXQKQ-RYUDHWBXSA-N 321.381 -0.361 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2nonc2C)C1 1081580409 ODYKVEVHERGRNN-NEPJUHHUSA-N 320.349 -0.269 30 20 DBED C=C(Br)CN1C[C@@H](NC(=O)C(N)=O)[C@H](OC)C1 1082086827 SCZXFWHDPLXXFW-HTQZYQBOSA-N 306.160 -0.804 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)c2ccc3nn[nH]c3n2)C1 1083506611 RLBFAFWIGOVQIT-NEPJUHHUSA-N 302.338 -0.296 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2cc3c(nc2O)CCOC3)C1 1083940358 QBWYGZCGQICPMW-OLZOCXBDSA-N 318.333 -0.842 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cn(C)c(=O)nc2O)[C@H]1CC 1087827083 XOJFQOMBLIDFGZ-NWDGAFQWSA-N 304.350 -0.298 30 20 DBED CCN(c1ccnc(C#N)n1)[C@H](C)CNC(=O)CNC(C)=O 1089580657 SRCRWSWZRHXLBG-SNVBAGLBSA-N 304.354 -0.185 30 20 DBED CS(=O)(=O)CC(=O)N1C[C@H]2CC[C@H]1[C@H]1CN(CC#N)C[C@@H]21 1089780423 DEUWJOCQKQZXKQ-VOAKCMCISA-N 311.407 -0.277 30 20 DBED N#CCN1C[C@@H]2[C@@H]3CC[C@@H](CN3C(=O)CCn3cnnn3)[C@H]2C1 1089882215 WETFYHZBIHBAQL-CRWXNKLISA-N 315.381 -0.244 30 20 DBED COCCn1cc(C(=O)N[C@H]2CCN(CC#N)C[C@H]2O)c(C)n1 1090258282 MMDDIOXOVDPGPN-UONOGXRCSA-N 321.381 -0.474 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2ncc(OC)cn2)[C@@H](O)C1 1090419955 LZXZUBYURNYZOM-STQMWFEESA-N 304.350 -0.327 30 20 DBED C=CCOCC(=O)NCCNc1cncc(C(=O)N(C)C)n1 1093555521 VINRNRTWYCICRR-UHFFFAOYSA-N 307.354 -0.091 30 20 DBED CN1C(=O)CCC[C@H]1C(=O)NCCN=c1cc[nH]cc1C#N 1093785192 AFBGGFDSYTTWBR-ZDUSSCGKSA-N 301.350 -0.086 30 20 DBED N#Cc1cnc(NCCNC(=O)COC[C@H]2CCOC2)cn1 1093866736 KKCKMYIRYKCGDO-NSHDSACASA-N 305.338 -0.071 30 20 DBED COc1nn(C)cc1C(=O)NCCN=c1cc[nH]c(C#N)n1 1094033384 LSFXCISEGXELAL-UHFFFAOYSA-N 301.310 -0.646 30 20 DBED C#CCCN1CC(n2cc(CNC(=O)[C@@H]3CCC(=O)N3)nn2)C1 1094335809 OQKZKODYVQCVDL-ZDUSSCGKSA-N 316.365 -0.947 30 20 DBED N#Cc1nccnc1NCCCNC(=O)[C@@H]1CCCS1(=O)=O 1094445115 BGILZGHRJQMHRA-NSHDSACASA-N 323.378 -0.156 30 20 DBED C#CCN1CCN(C(=O)C2[C@H]3CCC[C@H]23)[C@@H]2CS(=O)(=O)C[C@@H]21 1094620214 UMNRSNMCBTUKGL-XDQVBPFNSA-N 322.430 -0.025 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)c3c[nH]nc3CC)CC2=O)C1 1094753469 LNWXRNOQHJPPOA-LLVKDONJSA-N 315.377 -0.380 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)c3ccnc(C)n3)CC2=O)C1 1094816884 GIWPNZQOGRAQSH-LBPRGKRZSA-N 313.361 -0.567 30 20 DBED COCC(=O)NCCC(=O)NCCCNc1nccnc1C#N 1094846878 KGZDLVZLECSXTM-UHFFFAOYSA-N 320.353 -0.581 30 20 DBED CCNC(=O)CC(=O)N1CC[C@@H](Nc2ccc(C#N)nn2)C1 1095037035 XTVOMDOJYYFUIU-LLVKDONJSA-N 302.338 -0.113 30 20 DBED N#Cc1cnc(N[C@H]2CCCN(C(=O)CNC(N)=O)C2)cn1 1095274654 QCNNFCSRCCVHDF-VIFPVBQESA-N 303.326 -0.581 30 20 DBED CN(CCCNC(=O)C1CS(=O)(=O)C1)c1ccnc(C#N)n1 1095649857 UHLUNRHZKYVOFJ-UHFFFAOYSA-N 323.378 -0.665 30 20 DBED N#Cc1cnc(N[C@H](CNC(=O)[C@@H]2CCC(=O)N2)C2CC2)cn1 1096697951 OHTPBCTVDBZLKC-NWDGAFQWSA-N 314.349 -0.066 30 20 DBED N#Cc1ccc(N[C@@H](CNC(=O)[C@H]2CNC(=O)N2)C2CC2)cn1 1096801168 WMEHSRWZIGZQMQ-QWHCGFSZSA-N 314.349 -0.059 30 20 DBED COCC(=O)NCCC(=O)NC[C@@H](C)Nc1cnc(C#N)cn1 1098329569 IVYHREIQTQNYIH-SNVBAGLBSA-N 320.353 -0.582 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CC(=O)N(C)C1)Nc1nccnc1C#N 1098346617 SAWBUKHDYFTEPF-VHSXEESVSA-N 302.338 -0.257 30 20 DBED C=CCNCc1cn([C@@H]2CCN(C(=O)C(C)(C)C(N)=O)C2)nn1 1098682909 KBEGXJFLGMYDHB-GFCCVEGCSA-N 320.397 -0.161 30 20 DBED CNC(=O)CC(=O)N1CCC[C@H](N(C)c2cncc(C#N)n2)C1 1098683606 FNYTZYHAELPLIY-LBPRGKRZSA-N 316.365 -0.088 30 20 DBED C#CCNCc1cn([C@@H]2CCN(C(=O)[C@@H]3CCC(=O)N3)C2)nn1 1098766407 CKXIGXSOFUYYJG-OLZOCXBDSA-N 316.365 -0.947 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(Cc2cn(C)nn2)C[C@@H]1O 1099737637 BFZZMLMTBKJJOX-STQMWFEESA-N 309.370 -0.931 30 20 DBED C#CCCCC(=O)N[C@@H]1CCN(CCNC(=O)C2CC2)C[C@@H]1O 1099805040 WFGXTDUAFIJVOY-CABCVRRESA-N 321.421 -0.133 30 20 DBED Cc1csc(=O)n1CCC(=O)N[C@H]1CCN(CC#N)C[C@H]1O 1099879585 MOQGEDIYZBQVHC-NWDGAFQWSA-N 324.406 -0.317 30 20 DBED N#CCN1CC[C@@H](NC(=O)CNC(=O)c2ccco2)[C@@H](O)C1 1100096608 KCPIKBZHXJNZOJ-MNOVXSKESA-N 306.322 -0.916 30 20 DBED CCN1CCO[C@@H](C(=O)NCCN(C)c2ccnc(C#N)n2)C1 1100135062 GXOJRZUHYCSPEE-GFCCVEGCSA-N 318.381 -0.379 30 20 DBED CN(CCNC(=O)c1cn(C)c(=O)cn1)c1ccnc(C#N)n1 1100417856 NMICNHJSKOGWSZ-UHFFFAOYSA-N 313.321 -0.692 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)[C@]2(C)CCOC2)C1 1100791360 KQXZJIXWGKVEES-SEEARECTSA-N 307.394 -0.353 30 20 DBED CNC(=O)CC(=O)NC[C@H]1CCCN1c1cncc(C#N)n1 1100816126 OJNSFWGPQVQJSI-LLVKDONJSA-N 302.338 -0.431 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H]1CCN(c2ncc(F)cn2)C1 1100974677 YFFKATWYHDOQQP-LLVKDONJSA-N 319.340 -0.302 30 20 DBED N#Cc1nc(=N[C@H](CNC(=O)CC(N)=O)c2ccccc2)cc[nH]1 1102166192 QSTIQOXCXVUIIC-GFCCVEGCSA-N 324.344 -0.085 30 20 DBED N#Cc1ccc(N2CC[C@@H](CCNC(=O)CNC(N)=O)C2)nn1 1102283036 LWBYNWLZPGVJEL-SNVBAGLBSA-N 317.353 -0.651 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)CNc1ccc(C#N)cn1 1104183638 MKWRABANUAMZPJ-KOLCDFICSA-N 302.338 -0.201 30 20 DBED C[C@@H](CNc1nccnc1C#N)N(C)C(=O)Cn1cnnc1O 1104526922 MJSUAHJLKSLHCL-VIFPVBQESA-N 316.325 -0.396 30 20 DBED CC(C)[C@H](CNC(=O)CNC(N)=O)Nc1ccc(C#N)nn1 1105105746 CVINEDOOJSDATI-JTQLQIEISA-N 305.342 -0.431 30 20 DBED CC#CCNCc1cn(C2CN(C(=O)c3cnsn3)C2)nn1 1105171998 WOGATEYKGAQAKF-UHFFFAOYSA-N 317.378 -0.060 30 20 DBED COCC[C@@H](C)C(=O)NC[C@@H](O)CNc1nccnc1C#N 1105859833 JJOJLQHAGGRLOB-MNOVXSKESA-N 307.354 -0.090 30 20 DBED C[C@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)CCCC(N)=O 1106366500 MDBIKCDWPDFURV-SNVBAGLBSA-N 304.354 -0.268 30 20 DBED C[C@@H]1CN(C(=O)CS(=O)(=O)N(C)C)C[C@H]1CNCC#N 1106933741 GMEVSADTIWIVJA-GHMZBOCLSA-N 302.400 -0.915 30 20 DBED C#CCCN1CC(n2cc(CNC(=O)Cn3cccn3)nn2)C1 1107126785 SKCFTAAZGURXPJ-UHFFFAOYSA-N 313.365 -0.329 30 20 DBED N#Cc1nccnc1NC/C=C\CNC(=O)C[C@@H]1CCNC1=O 1107375414 RIWCMQSKLJHOID-BVBSBALXSA-N 314.349 -0.041 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](C)NC(=O)[C@@H]2COCCN2C)n1 1107693897 BMZPFONUJSDFBZ-YPMHNXCESA-N 318.381 -0.096 30 20 DBED C[C@H](CNc1cncc(C#N)n1)NC(=O)[C@@H](C)S(C)(=O)=O 1108197798 JDUXTTJLXGKJCR-RKDXNWHRSA-N 311.367 -0.302 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)c2ccc(OC)nn2)C1 1108323692 NEGGXIQFGTVASU-OAHLLOKOSA-N 304.350 -0.061 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)[C@@H]2CN(C(C)=O)CCO2)C1 1108373250 SDYJRTBHOYPHAW-HOCLYGCPSA-N 323.393 -0.926 30 20 DBED N#CCN1CC(N2C[C@H](NC(=O)[C@H](F)C(F)(F)F)CC2=O)C1 1108548794 WTISSPVVWSHHQS-XCBNKYQSSA-N 322.262 -0.188 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)[C@H](C)OCCOC)CC2=O)C1 1108580394 LWVNPDCDRFFKBF-STQMWFEESA-N 323.393 -0.928 30 20 DBED CNC(=O)NCC(=O)N[C@@H](C)CNc1ncc(C#N)cc1F 1108755975 VOOLCWVERVLSAW-QMMMGPOBSA-N 308.317 -0.062 30 20 DBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H]1CCCO1 1108887215 DZRNMBZGWONXHT-VOAKCMCISA-N 306.366 -0.473 30 20 DBED C[C@H](CN(C)c1nccnc1C#N)NC(=O)COCCN(C)C 1109039959 UDLSZYJWNSOSMJ-GFCCVEGCSA-N 320.397 -0.133 30 20 DBED CCN(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1109928034 DGQPCBMQVNMURA-RDBSUJKOSA-N 321.425 -0.311 30 20 DBED N#Cc1cnc(NC2(CNC(=O)[C@@H]3CCC(=O)N3)CC2)cn1 1110189429 YXJVKNBAKLRWCP-JTQLQIEISA-N 300.322 -0.312 30 20 DBED N#Cc1ccc(NC2(CNC(=O)C(N)=O)CCOCC2)nc1 1111000132 YOMJNZZUMHOVPO-UHFFFAOYSA-N 303.322 -0.484 30 20 DBED CO[C@@H](C)C(=O)NC[C@]1(O)CCN(c2nc(C)cc(C#N)n2)C1 1111025722 ILMFCCKUMIVJDM-XHDPSFHLSA-N 319.365 -0.251 30 20 DBED C=CCOCC(=O)NC[C@@]1(O)CCN(c2nccc(OC)n2)C1 1111039819 QFMCZSMJUWJKOF-HNNXBMFYSA-N 322.365 -0.255 30 20 DBED Cc1[nH]ccc1C(=O)N(CCO)CCN=c1cc[nH]c(C#N)n1 1111450798 ZXSAISMWTSPQTD-UHFFFAOYSA-N 314.349 -0.047 30 20 DBED Cn1cnc(C(=O)N(CCO)CCNc2ncccc2C#N)n1 1111460739 KNAUUOBLRKPKQI-UHFFFAOYSA-N 315.337 -0.372 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1COCCN1c1ncnc2[nH]cnc12 1111663442 WCXPHVUBKRKQAE-VHSXEESVSA-N 315.337 -0.166 30 20 DBED C#CCNC(=O)CC(=O)N1CCN(Cc2cnc(C)o2)CC1 1112777877 QMDKICRJXVNYDZ-UHFFFAOYSA-N 304.350 -0.233 30 20 DBED C[C@@H](NC(=O)CCn1cnnn1)[C@@H](C)Nc1nccnc1C#N 1113125205 VBMUMBIEWJJNLP-NXEZZACHSA-N 315.341 -0.270 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)COC(C)C)[C@H]2C1 1113992769 NJAMOKOMVCLECT-AVGNSLFASA-N 307.394 -0.404 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3cc(C#N)c[nH]3)[C@H]2C1 1114103965 SZBIIXJSWUMJHX-RYUDHWBXSA-N 311.345 -0.704 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)C[C@](C)(O)C3CC3)[C@H]2C1 1114148123 ALISJNROLVKSOF-IXKJSCDLSA-N 321.421 -0.114 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@H]1[C@@H]2CN(CC(=O)N(C)CC)C[C@@H]21 1114194712 UQJQVNRZSWOJNE-GUYJKWIASA-N 309.410 -0.162 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3nc(C)c[nH]3)[C@H]2C1 1114949612 OQXZIVREXWZMPX-PJXYFTJBSA-N 303.366 -0.320 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)c3[nH]cnc3C)[C@@H]2C1 1115356726 OYLCWDRTJCCHRG-GHMZBOCLSA-N 301.350 -0.872 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N1C[C@H](OC)[C@H](OC)C1 1117961881 GBZXEYJDZQXKSH-TXEJJXNPSA-N 300.355 -0.480 30 20 DBED CCCSCC(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1 1121119458 DEXLNOGIJCBUAY-JTQLQIEISA-N 309.395 -0.198 30 20 DBED Cn1ccc(C(=O)NC[C@H](CO)Nc2cncc(C#N)n2)n1 1121581920 SKOFQJWYHFFSCI-SNVBAGLBSA-N 301.310 -0.715 30 20 DBED COC[C@H](C)CC(=O)NC[C@@H](CO)Nc1ccc(C#N)nn1 1121984996 NUQRDTMNVCRPGJ-PWSUYJOCSA-N 307.354 -0.090 30 20 DBED Cc1nc(O)[nH]c1C(=O)NC[C@@H](CO)Nc1ccc(C#N)nc1 1122213814 RBDWYPBFUBVALD-NSHDSACASA-N 316.321 -0.107 30 20 DBED CC[C@@H](NC(C)=O)C(=O)NC[C@@H](CO)Nc1ccc(C#N)nc1 1122645235 YDRRPQPXCXUUKJ-UONOGXRCSA-N 319.365 -0.243 30 20 DBED CCc1n[nH]cc1C(=O)NC[C@@H](CO)N=c1cc[nH]cc1C#N 1122830375 UMZCCCPSZJIQSW-NSHDSACASA-N 314.349 -0.137 30 20 DBED CCNC(=O)CC(=O)N1C[C@H](N=c2cc[nH]c(C#N)n2)C[C@H]1C 1123215413 WBTLZDBKSYGPLJ-GHMZBOCLSA-N 316.365 -0.302 30 20 DBED CN(C[C@@H](O)CNc1ccc(C#N)nn1)C(=O)c1cnccn1 1124045687 IDQMRJJAFATWSN-NSHDSACASA-N 313.321 -0.317 30 20 DBED CN(C[C@@H](O)CNc1cnc(C#N)cn1)C(=O)[C@@H]1CCCN1C 1124207682 RBLYJRBYZAWMNG-STQMWFEESA-N 318.381 -0.326 30 20 DBED C[C@@H](CC(N)=O)C(=O)N(C)C[C@H](O)CNc1nccnc1C#N 1124688745 KDCVZJNTKDRODA-VHSXEESVSA-N 320.353 -0.909 30 20 DBED COC[C@H](OC)C(=O)N(C)C[C@@H](O)CN=c1cc[nH]cc1C#N 1124720791 DAEIBKGFIVMJHR-JSGCOSHPSA-N 322.365 -0.732 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)[C@H]1CCC1(F)F 1130101755 SUGGESMGFVSXFX-SECBINFHSA-N 318.324 -0.251 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CCN(C)C(=O)C1 1130367681 QOELTDUOMVPWAR-VXGBXAGGSA-N 310.398 -0.749 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1ccc(OC)nc1 1131062694 WYHIIOFMKQPMRJ-NSHDSACASA-N 304.350 -0.453 30 20 DBED C=C(C)CCN1CCNC(=O)CCN(C(=O)CNC(C)=O)CC1 1131322905 HCRSGRBADJVWAH-UHFFFAOYSA-N 324.425 -0.261 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)[C@@H](CC)NC(C)=O)CC1 1131385517 CDCYBGIBENHZME-CQSZACIVSA-N 324.425 -0.262 30 20 DBED COCC#CCNCCNC(=O)[C@@H]1CCc2nc(C)nn2C1 1131637097 ZWGRQICUEZIPPT-CYBMUJFWSA-N 305.382 -0.495 30 20 DBED C[C@H]1CC[C@@H](NC(=O)CSCC#N)CN1CC(=O)NCC#N 1131825037 GEKIHFAIKKVLAC-NWDGAFQWSA-N 323.422 -0.148 30 20 DBED CC#CCN1C[C@H](NC(=O)CNS(=O)(=O)CC)CC[C@@H]1C 1132077432 HLHYCDMWCWQNGH-QWHCGFSZSA-N 315.439 -0.082 30 20 DBED C[C@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1CNCC(=O)NC(N)=O 1132819439 PCSHHICCOWIABW-AAEUAGOBSA-N 320.393 -0.331 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)CCn1cccn1 1133726245 GBKUHJFLKKEHIN-UONOGXRCSA-N 319.409 -0.105 30 20 DBED CNC(=O)NCCC(=O)N[C@@H](C)C[C@H](C)NCC#CCOC 1134269214 FJQWLUHDMLKUJX-STQMWFEESA-N 312.414 -0.172 30 20 DBED C=CCn1cc(C(=O)N[C@@H](C)C[C@@H](C)NCC(=O)NC)nn1 1135639895 SYHMEHCCTCHRFS-MNOVXSKESA-N 308.386 -0.303 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)c1cccnn1 1135739755 RYWKPVVRUZPNLF-VXGBXAGGSA-N 303.366 -0.288 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)[C@H]1C[C@H]1C(C)C 1136062276 YGUIKJJJGOKOLC-RYUDHWBXSA-N 310.398 -0.004 30 20 DBED COCC#CCNCCNC(=O)C[C@H]1CCCS(=O)(=O)C1 1146924864 LAFKQOZJXHFSDJ-CYBMUJFWSA-N 316.423 -0.443 30 20 DBED C=CCNC(=O)CN(CC)[C@H](C)CNC(=O)Cn1cnnc1O 1152888180 QDVKCDQCRFMTPH-LLVKDONJSA-N 324.385 -0.888 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)[C@@H]1CCN(C)C1=O 1154719995 RGHNCGCMQCKKRF-OLZOCXBDSA-N 322.409 -0.959 30 20 DBED C[C@H]1C[C@H](C(=O)NCCC2(CNCC(=O)NCC#N)CC2)CO1 1165834631 BULJDAQXWPGNGU-STQMWFEESA-N 322.409 -0.073 30 20 DBED C[C@H](CCCCNCC(=O)NCC#N)NC(=O)c1ncn(C)n1 1170577872 QPRZVIWYRDLBOE-LLVKDONJSA-N 321.385 -0.667 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)C3(C(=O)NC)CC3)C[C@H]21 1177113123 PCNANNUVQKSAQD-OLZOCXBDSA-N 305.378 -0.553 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)c2cc(OC)ncn2)C1 1182615261 DOGDLUHOGCKZHC-LLVKDONJSA-N 319.365 -0.409 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2cnn3c2CCC3)C1 1183094520 MRQCSCFRIWBSMT-GFCCVEGCSA-N 315.377 -0.617 30 20 DBED C#CCCNC[C@@H]1CCN(C(=O)c2nnc(O)nc2O)C[C@H]1C 1184749503 ZXMQLIOUPSFMAV-MNOVXSKESA-N 319.365 -0.006 30 20 DBED C=CCNC[C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)C[C@@H]1C 1185327571 RHXTXHOIFKPKLM-RYUDHWBXSA-N 308.382 -0.202 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)C(C)(C)NC(C)=O)C1 1186405684 XIMPZSKXHGPSJL-WCQYABFASA-N 324.425 -0.218 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)Cc2ccc[nH]2)C1 1187993655 FHUCVEJVNXCTIO-TZMCWYRMSA-N 302.378 -0.114 30 20 DBED CNC(=O)NC(=O)[C@@H](C)N(C)[C@@H]1CCN(C(=O)C#CC2CC2)C1 1190076296 OJTLWNQZHNJJDS-DGCLKSJQSA-N 320.393 -0.223 30 20 DBED CC(C)n1cc(CN2C[C@@H](O)[C@H](NC(=O)[C@H](C)C#N)C2)nn1 1191854601 OTWAIFXGWOCFBL-RAIGVLPGSA-N 306.370 -0.320 30 20 DBED CCn1cc(CCN2C[C@@H](O)[C@H](NC(=O)[C@H](C)C#N)C2)cn1 1191873007 PMUHQTIKNZLSBL-MRVWCRGKSA-N 305.382 -0.234 30 20 DBED C=CCNC(=O)[C@@H](C)N(C)[C@@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 1192072747 KDTBOTAZVYYUSY-VXGBXAGGSA-N 322.409 -0.525 30 20 DBED CN(CC(=O)NCC#N)[C@H]1CCN(C(=O)c2ccncn2)C1 1192970192 QQQWULAOLPTJSY-NSHDSACASA-N 302.338 -0.737 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)COCc2nnc(C)s2)C1 1194451869 XJBDOBPLAZKWRW-VXGBXAGGSA-N 324.406 -0.452 30 20 DBED C=CCNC(=O)[C@H](C)N1CCCN(C(=O)[C@H](C)NC(C)=O)CC1 1194739135 KHGLIQNTIFUKFL-STQMWFEESA-N 324.425 -0.264 30 20 DBED CC#CCCCC(=O)N[C@@H]1CN([C@H](C)C(=O)N(C)C)C[C@H]1O 1195472858 HBYNGGGDIWPZFN-MGPQQGTHSA-N 309.410 -0.182 30 20 DBED COc1ccccc1[C@H](CNC(=O)CNC(N)=O)NCC#N 1198516059 SJTRKSFKPHWYJL-NSHDSACASA-N 305.338 -0.366 30 20 DBED C=C(Cl)CNC[C@@H]1CN(C(=O)CS(C)(=O)=O)CCCO1 1199998814 MWEDMIQNPAUKFL-LLVKDONJSA-N 324.830 -0.009 30 20 DBED CC#CCNC[C@H]1CN(C(=O)CCc2nc[nH]n2)CCCO1 1200207722 VNWYFUDAMLZOJH-ZDUSSCGKSA-N 305.382 -0.032 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC(NCC(=O)NC(=O)NC)CC1 1200531433 CPQTYCTXIAUQGV-NSHDSACASA-N 324.381 -0.939 30 20 DBED C#CCNC[C@H]1CN(C(=O)[C@H]2CCCCN2C(N)=O)CCCO1 1201822498 BCMAHNYYXDXAPB-UONOGXRCSA-N 322.409 -0.240 30 20 DBED CC#CCN[C@H]1C[C@@H](NC(=O)CS(=O)(=O)NC)C12CCC2 1203742042 LCISITNIFFASBD-NWDGAFQWSA-N 313.423 -0.424 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)c1cnn(C)c1 1205909336 LYODLGQSEHLPGM-ZYHUDNBSSA-N 304.354 -0.890 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCC[C@@H](NCCN2CCNC2=O)C1 1207950368 KOGHKTYXTAUUIU-CJNGLKHVSA-N 324.425 -0.081 30 20 DBED CCNC(=O)CN1C[C@@H](NC(=O)CSCC#N)[C@H](OC)C1 1211890957 CMECAPQUYASAQA-GHMZBOCLSA-N 314.411 -0.805 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(CCn2cccn2)C[C@H]1OC 1212258556 VWBJRIZYOYIBRI-HUUCEWRRSA-N 320.393 -0.262 30 20 DBED C#CCN1C[C@@H](NC(=O)CNC(=O)c2ccoc2C)[C@H](OC)C1 1212311475 OOUQAHJMKGMZRO-ZIAGYGMSSA-N 319.361 -0.234 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@@H](NCC(=O)NCCC)[C@H](C)C1 1214604819 NTVMKHXQBYYWFC-MGPQQGTHSA-N 309.410 -0.013 30 20 DBED C=CCN[C@@H]1CN(C(=O)CNC(=O)Cn2cncn2)C[C@H]1C 1216832974 PIJBXSYUKGKIHE-VXGBXAGGSA-N 306.370 -0.983 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2cc[nH]c2C)C1 1219432987 XFDMITHQLBQERT-OLZOCXBDSA-N 306.366 -0.600 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)[C@H](CCC)S(N)(=O)=O)C1 1220068889 QVTLISWKZBSTLO-WOPDTQHZSA-N 319.427 -0.819 30 20 DBED C#CCCCCCC(=O)N[C@@H]1CN([C@@H]2CCNC2=O)C[C@@H]1O 1220147047 YUTJZBHAMQVLDB-MCIONIFRSA-N 307.394 -0.380 30 20 DBED C=CCCCC(=O)N[C@@H]1CN([C@H]2CCC(=O)NC2=O)C[C@@H]1O 1220246109 MRJXQOYUUIEXAH-WOPDTQHZSA-N 309.366 -0.691 30 20 DBED C#CCCCCC(=O)N1C[C@H]2CCN(CC(=O)NC(N)=O)C[C@H]21 1221488812 YVQQCYYKWDBPEX-CHWSQXEVSA-N 320.393 -0.092 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC(NC(=O)Cn2cccn2)CC1 1226038352 RABCIWPETMQFEV-CYBMUJFWSA-N 317.393 -0.398 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC(NC(=O)[C@H]2CCN(C)C2)CC1 1230262633 KXSWJXJWOGDEQT-KBPBESRZSA-N 320.437 -0.343 30 20 DBED C=CCCN[C@@H]1CCCC[C@H]1NC(=O)c1cn(CC(N)=O)nn1 1230271125 RGZPQPHACFOUKK-VXGBXAGGSA-N 320.397 -0.030 30 20 DBED C=CCN(C)C(=O)C(=O)N[C@@H]1CCc2nc(COC)nn2C1 1261158320 QEXHSPKFVJKWCA-SNVBAGLBSA-N 307.354 -0.500 30 20 DBED CN(C)C[C@](C)(O)CNC(=O)C(=O)Nc1ccc(C#N)cn1 1261239640 VMLCFJPVSNWWQE-CQSZACIVSA-N 305.338 -0.679 30 20 DBED C#CCC[C@@H](O)CNS(=O)(=O)c1cc(C(=O)OC)no1 1261794059 CVWDZTHRFVKRGP-MRVPVSSYSA-N 302.308 -0.486 30 20 DBED C=C(C)CN1CCC(NC(=O)C(=O)N2CCCNC(=O)C2)CC1 1261949163 VYVSKLPSZAAZMF-UHFFFAOYSA-N 322.409 -0.508 30 20 DBED C=CCN[C@H]1CCN(C(=O)CN(C)S(=O)(=O)N(C)C)C1 1265905247 FUMHIABKTPCHSO-NSHDSACASA-N 304.416 -0.899 30 20 DBED COC(=O)C1(NC(=O)C(=O)Nc2ccn(CCC#N)n2)CC1 1323787643 KEFOURSWNRVUQT-UHFFFAOYSA-N 305.294 -0.443 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@@H](C)C(=O)N(C)C 1323950742 SSERPKDEGSHAIR-TUAOUCFPSA-N 311.382 -0.323 30 20 DBED N#Cc1ccc(C[C@H](C#N)C(=O)NCCOCC(N)=O)cc1 1326811818 PNHSKGJXEXKBKJ-CYBMUJFWSA-N 300.318 -0.141 30 20 DBED N#CC[C@H]1CCCN(C(=O)C(=O)N2CCN3C(=O)NC[C@H]3C2)C1 1327719344 ACEVVPFILHSWAI-NEPJUHHUSA-N 319.365 -0.625 30 20 DBED CN(CCN1CCOCC1)C(=O)C(=O)N1CCC[C@@H](CC#N)C1 1328170618 NAWVFULGKCWIIU-AWEZNQCLSA-N 322.409 -0.071 30 20 DBED C#CCCCCNC(=O)C(=O)N1C[C@@H](O)C[C@@H](C(=O)OC)C1 1329346346 GVXQMVKQMFYVKP-NEPJUHHUSA-N 310.350 -0.712 30 20 DBED C=CCNC(=O)Cc1noc(CN(C)CC(=O)NC(C)C)n1 1329666177 VJBHGAVVHHPXLA-UHFFFAOYSA-N 309.370 -0.129 30 20 DBED C#CCSCCNC(=O)C(=O)N1CC(OCC(F)F)C1 1331278600 GPNCCONSWTXCSD-UHFFFAOYSA-N 306.334 -0.039 30 20 DBED CN(Cc1cnn(C)c1)C(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1332355222 DEUPOFFWXARXDJ-AWEZNQCLSA-N 305.338 -0.744 30 20 DBED C=CCN1CC[C@H](N(C)Cc2nnc3c(=O)[nH]ccn23)C1=O 1333429233 PQXLWTVJLCTNAM-JTQLQIEISA-N 302.338 -0.364 30 20 DBED C=CCN(C(=O)C(=O)NC[C@@H]1CNCCCO1)[C@@H](C)COC 1333547381 DXMJCRRWCBKMPF-STQMWFEESA-N 313.398 -0.469 30 20 DBED C=CCN(C(=O)C(=O)Nc1cnn(CC(=O)NC)c1)C1CC1 1343375864 JJHQHQXSYINTOK-UHFFFAOYSA-N 305.338 -0.255 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N1CCC[C@@H](S(C)(=O)=O)C1 1347039101 MAGUATMMNGTWBW-WDEREUQCSA-N 318.395 -0.661 30 20 DBED C=CCN(CCC#N)C(=O)C(=O)Nc1cnn(CC(=O)NC)c1 1347667841 HKOJGQQOMFBWFG-UHFFFAOYSA-N 318.337 -0.504 30 20 DBED C[C@@H](C(=O)N[C@H](CO)Cc1cnn(C)c1)n1cnc(C#N)n1 1363100757 MTUPGUCITZDQOJ-ONGXEEELSA-N 303.326 -0.836 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(CC(=O)NCC2CCC2)C1 1380580000 DCQPTXGEDTZGON-LLVKDONJSA-N 308.382 -0.775 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)CN(C)c1ccccc1 1392124645 CCOHUZKLQMEYJR-OCCSQVGLSA-N 318.377 -0.124 30 20 DBED C[C@@H](CNC(=O)c1cn(C)nn1)NC(=O)c1ccc(C#N)[nH]1 1397429879 LWTXDFNBYHZSBC-QMMMGPOBSA-N 301.310 -0.437 30 20 DBED C=C(Cl)CN1CC(O)(CNC(=O)c2c[nH]c(C(N)=O)c2)C1 1402393567 SXFNYMRBCOUIJB-UHFFFAOYSA-N 312.757 -0.357 30 20 DBED N#Cc1cc(C(=O)NC2(CNC(=O)[C@H]3CCC(=O)N3)CC2)c[nH]1 1410682685 DCGDZJDHPNWIOE-LLVKDONJSA-N 315.333 -0.456 30 20 DBED CC[C@H](NS(=O)(=O)N1CCO[C@H](C#N)C1)c1noc(C)n1 1413379913 PBNQGWUDRXRUON-ZJUUUORDSA-N 315.355 -0.112 30 20 DBED COCCC(=O)N1CCC(NC(=O)Cn2cnc(C#N)n2)CC1 1417673904 SNBLBTZHKOVZLW-UHFFFAOYSA-N 320.353 -0.707 30 20 DBED C[C@H]1CN(C(=O)CCn2cc(C#N)c(O)nc2=O)C[C@@H](C)N1C 1417883677 JBKAZQNMQQIOLC-PHIMTYICSA-N 319.365 -0.238 30 20 DBED C=C(Br)CNC[C@H](C)NC(=O)CNC(=O)NC 1420420023 KPHJJIRTGAMRPV-QMMMGPOBSA-N 307.192 -0.082 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H](CNC(=O)CCNC(N)=O)C1 1428342726 AXOFWYBEBVKYMQ-GHMZBOCLSA-N 309.370 -0.441 30 20 DBED CCn1nc(C)c(CN2CC(O)(CNC(=O)[C@H](C)C#N)C2)n1 1440037573 HRWHTWRGDWUOTB-SNVBAGLBSA-N 306.370 -0.571 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)CCCS(C)(=O)=O)CC1 1459010309 RKPSLTRZUUWBLE-JTQLQIEISA-N 315.395 -0.264 30 20 DBED N#Cc1ccnc(N2CCN(C(=O)CCn3cnnn3)CC2)c1 1463911964 CVSQNMPQXLGINU-UHFFFAOYSA-N 312.337 -0.321 30 20 DBED N#Cc1ccc(CNC[C@@H](O)CNC(=O)[C@H]2CCC(=O)N2)s1 1482712867 HQKCLXFWQCPDQM-BXKDBHETSA-N 322.390 -0.535 30 20 DBED C=C(Cl)CNC[C@H](O)CNC(=O)[C@@H]1CCCN1C(N)=O 1482799696 QXZCTNSUKZTYSB-UWVGGRQHSA-N 304.778 -0.651 30 20 DBED CO[C@H](C)C(=O)N1CCC(N(CCO)C(=O)[C@@H](C)C#N)CC1 1490153317 XDMIVEOLMHLUMO-NWDGAFQWSA-N 311.382 -0.007 30 20 DBED C[C@@H](C#N)C(=O)NC1CC2(CC(NC(=O)Cn3cncn3)C2)C1 1491057210 HYJYLDHCTHCJPB-ZWESNROVSA-N 316.365 -0.019 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)CN1CCCCCC1=O 1501606071 YHACZKXAQFWDCF-NEPJUHHUSA-N 324.381 -0.858 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1[C@@H]2CN(c3ncccc3-c3nn[nH]n3)C[C@@H]21 1573586185 LIEXGZMCMKDJEN-YJQGPUDQSA-N 324.348 -0.028 30 20 DBED N#Cc1ccc(NCCNS(=O)(=O)C[C@H]2CCNC2)nc1 1574249890 NUJOKSOZGNWCBT-LBPRGKRZSA-N 309.395 -0.106 30 20 DBED C[C@@H](C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N)C1CNC1 1575071220 HMPZPVYORTXQCG-SECBINFHSA-N 304.354 -0.088 30 20 DBED C#CCCNCCN(CCO)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 1588347729 XAIRJQXJBPDKGH-UHFFFAOYSA-N 317.353 -0.758 30 20 DBED C#C[C@H](NS(=O)(=O)N1CCC[C@H]1C(=O)O)C1CCOCC1 1588386383 QFJKDSIFUWWEPJ-RYUDHWBXSA-N 316.379 -0.202 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N1CCC[C@@H]1CC(=O)O 1588390489 WCRHSDFSXVNHBK-VXGBXAGGSA-N 310.350 -0.003 30 20 DBED C#CCNC(=O)CN1CCN(Cc2cc(C(=O)O)no2)CC1 1588484082 PGZOCVVNVKPTKR-UHFFFAOYSA-N 306.322 -0.760 30 20 DBED C=CCn1cc(CNS(=O)(=O)C2(C(=O)O)CCC2)nn1 1588909060 HFQFOTOXVNEDCR-UHFFFAOYSA-N 300.340 -0.109 30 20 DBED N#CCSCC(=O)N1CCN([C@@]2(C(=O)O)CCOC2)CC1 1601076665 XLYISNHKNILGAA-ZDUSSCGKSA-N 313.379 -0.369 30 20 DBED N#Cc1cccc([C@@H]2C[C@H]2C(=O)NCC(=O)NCC(=O)O)c1 1601124490 NHPNPTOANQHYOS-NWDGAFQWSA-N 301.302 -0.021 30 20 DBED C=CCn1c(CCO)nnc1N1C[C@@H]2COC[C@]2(C(=O)O)C1 1602729815 HRUIDIXHLWHYDD-QMTHXVAHSA-N 308.338 -0.464 30 20 DBED CN(CC#N)CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cn1 1604707639 AZBOJUHWTKXDFJ-UHFFFAOYSA-N 307.339 -0.509 30 20 DBED Cn1c(C(=O)N2CCN(CC#N)CC2)ccc1-c1nn[nH]n1 1606207511 HVUJUFDJXFNUOV-UHFFFAOYSA-N 300.326 -0.513 30 20 DBED C[C@@H](C(=O)N1CCC([C@H](O)C(=O)O)CC1)n1cnc(C#N)n1 1609633181 TWBITQWLSKVMQF-KWQFWETISA-N 307.310 -0.605 30 20 DBED N#Cc1cncc(S(=O)(=O)N2CCC(OCC(N)=O)CC2)c1 1645787777 DWCSMTFMKRDMDX-UHFFFAOYSA-N 324.362 -0.392 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[C@H](O)[C@H](CO)C1 1649873490 KZKXSYBJHWDKAF-WOPDTQHZSA-N 305.400 -0.612 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC[C@@H](NC(=O)c2cn(C)nn2)C1 1732153928 KSOZDWWPPRPAQS-GHMZBOCLSA-N 306.370 -0.690 30 20 DBED C=CCNC(=O)[C@@H](C)N(C)C[C@H]1CCCN(C(=O)CC(N)=O)C1 1752501735 AWZBXBGWTOCIRP-CHWSQXEVSA-N 324.425 -0.277 30 20 DBED COCC#CCNC[C@@H]1CCCN(C(=O)[C@H](C)NC(C)=O)C1 1752791687 WVDXPHHMRLQOMR-ZFWWWQNUSA-N 309.410 -0.011 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CCCN1CCN1C(=O)CNC1=O 1753104981 JOXONYNQLFDTEU-ZDUSSCGKSA-N 320.393 -0.222 30 20 DBED Cc1ccncc1CC(=O)NC1CN(CC(=O)NCC#N)C1 1753378369 GAOFCGKUCPSCSW-UHFFFAOYSA-N 301.350 -0.627 30 20 DBED CCS(=O)(=O)NCCN1CC(CNC(=O)C#CC2CC2)C1 1753401626 LZQGVQUYAXSHME-UHFFFAOYSA-N 313.423 -0.613 30 20 DBED CCN(C(=O)[C@H](O)C(C)C)[C@@H]1CCN(CC(=O)NCC#N)C1 1753454795 CWYRJUUXMWIHND-TZMCWYRMSA-N 310.398 -0.434 30 20 DBED C#CCNC(=O)CN[C@@H](CC)CNC(=O)c1cnc(C)nc1C 1753490957 JLSBBOALPQSXQW-ZDUSSCGKSA-N 317.393 -0.059 30 20 DBED C=CCOCCN(C)CCN(C)C(=O)[C@H]1CCS(=O)(=O)N1 1753869239 LZRXIDFPJMVCRG-GFCCVEGCSA-N 319.427 -0.729 30 20 DBED C=CCNC(=O)CNC[C@H]1CCC[C@@H]1NC(=O)c1cnon1 1753900398 XQHTWUUGROFTNB-MNOVXSKESA-N 307.354 -0.140 30 20 DBED C#CCOCCC(=O)N[C@H]1[C@H]2C[C@H]1N(CC(=O)NCC=C)C2 1754422686 KGQJCBPYFNYNDR-ZENOOKHLSA-N 305.378 -0.483 30 20 DBED C#CCNC(=O)[C@H](C)N1CC(N(C)C(=O)C[C@H]2CCN(C)C2)C1 1754584714 MBACOFQNXAXLHC-UONOGXRCSA-N 320.437 -0.391 30 20 DBED C#CCNC(=O)CNC[C@@H]1CCCN1C(=O)Cc1cnc(C)o1 1754611461 FAWJLRABYHUILL-ZDUSSCGKSA-N 318.377 -0.144 30 20 DBED C#CCCN1CCC(C)(NC(=O)C[C@H](NC(C)=O)C(N)=O)CC1 1754630380 FNZZFGMGJPOBEF-ZDUSSCGKSA-N 322.409 -0.640 30 20 DBED Cc1nn[nH]c1C(=O)N1CC[C@](C)(CNCC(=O)NCC#N)C1 1754702432 SEIIJLHHQCJEKS-CQSZACIVSA-N 319.369 -0.805 30 20 DBED CN1CC[C@@H](CC(=O)NCC2(NCC#N)CCOCC2)C1=O 1754737685 RKISGFZUUHQXJS-LBPRGKRZSA-N 308.382 -0.367 30 20 DBED C#CCN1CC(O)(CNC(=O)c2cnn3cccc(OC)c23)C1 1754777058 IMNSFQUKCHXKGY-UHFFFAOYSA-N 314.345 -0.247 30 20 DBED C=CCOCCN1CCOC[C@H]1CNC(=O)C1=COCCO1 1754964101 URPQFGUENXAVPD-CYBMUJFWSA-N 312.366 -0.106 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(NCc2cnnn2C)CCC1 1754980397 BBBAINGVNIEAHX-GFCCVEGCSA-N 305.382 -0.018 30 20 DBED Cn1ccc(C(=O)N[C@H]2CCCN(CC(=O)NCC#N)CC2)n1 1755034525 SOGVNPFIPRTAFR-LBPRGKRZSA-N 318.381 -0.356 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)CCNC(=O)NC)CCO2 1755052316 XIFVZKCHKBSJFD-UHFFFAOYSA-N 308.382 -0.758 30 20 DBED C#CCNC(=O)[C@H](C)N(C)C[C@@H]1CCCN1C(=O)c1cnon1 1755208755 AJWINSVVSROCJW-RYUDHWBXSA-N 319.365 -0.256 30 20 DBED C#CCNC(=O)CNCC1CC(NC(=O)Cc2ncc[nH]2)C1 1755219531 VZZBPNNOKFWGKL-UHFFFAOYSA-N 303.366 -0.814 30 20 DBED CO[C@H]1CCn2cc(C(=O)NC[C@@H](CO)NCC#N)nc2C1 1755631321 DAGGVPCROLIBMN-QWRGUYRKSA-N 307.354 -0.952 30 20 DBED COCC#CCN[C@@H](CO)CNC(=O)CCc1ccc(O)nc1 1755636464 HWVWWWFFVVCMTD-CQSZACIVSA-N 321.377 -0.564 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)C(=O)NCC2CC2)[C@@H]1C 1755665526 XUMNZLLAFXIYBG-YPMHNXCESA-N 322.409 -0.606 30 20 DBED C=CCN[C@H]1C[C@@H](C)N(C(=O)CS(=O)(=O)CCOC)C1 1755680599 HRCOHRVZFYUKSX-NEPJUHHUSA-N 304.412 -0.187 30 20 DBED C#CCNC[C@@H]1CC[C@@H](NC(=O)CS(=O)(=O)N(C)C)C1 1755745958 FGDFTTFQWKGILL-VXGBXAGGSA-N 301.412 -0.615 30 20 DBED C=C[C@@H](CC)CC(=O)N1CCO[C@]2(CCN(C(=O)C(N)=O)C2)C1 1756169222 NHTZELLSCGXEGP-BLLLJJGKSA-N 323.393 -0.096 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H](CO)CNC(=O)/C=C(/C)C1CC1 1756506186 QBGWBFJYBKZENN-NLHUMDJRSA-N 308.378 -0.026 30 20 DBED C=CC(C)(C)C(=O)N[C@@H](CO)CNC(=O)Cc1n[nH]c(C)n1 1756521250 MMXDCSVIPZWHAH-SNVBAGLBSA-N 309.370 -0.539 30 20 DBED C#CCOCCC(=O)NC[C@@H](CO)NC(=O)c1cnccc1C 1756521842 XEIWXYKVUBGUIS-ZDUSSCGKSA-N 319.361 -0.363 30 20 DBED C#CCCCC(=O)NC[C@H]1CC[C@H](NC(=O)Cn2ncnn2)C1 1756642326 SIBLIKGOXXDHAS-STQMWFEESA-N 318.381 -0.122 30 20 DBED C=CCOCC(=O)NCC1=CCN(C(=O)[C@@H](C)CC(N)=O)CC1 1756763684 WDKYVCQSGPDKNF-LBPRGKRZSA-N 323.393 -0.025 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](NC(=O)[C@H]2C[C@@H]2C)[C@H]1C 1757533368 XTEUNFJWSNXPLQ-RNJOBUHISA-N 305.378 -0.113 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)C1CCOCC1)CCO2 1783049855 XJXOTLZRNAHMJR-MRXNPFEDSA-N 306.362 -0.124 30 20 DBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1839805317 IZALYPCCHWBFGE-MRXNPFEDSA-N 319.361 -0.374 30 20 DBED Cn1cc(C#N)c(=O)n(Cc2cc(=O)n3ccsc3n2)c1=O 11263207 GLYSCVOTPQMPCM-UHFFFAOYSA-N 315.314 -0.464 30 20 DBED N#CCCNC(=O)CN1CCN(CC(=O)N2CCCCC2)CC1 27377939 PVKUVTYIYWCNKU-UHFFFAOYSA-N 321.425 -0.354 30 20 DBED COc1cc(C#N)ccc1OCC(=O)N1CCO[C@H](C(N)=O)C1 50856454 HTUWWEAQLWYNRG-ZDUSSCGKSA-N 319.317 -0.342 30 20 DBED N#Cc1cc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)O)ccc1F 69412937 XOGOMSXKMUWTNU-LDYMZIIASA-N 314.294 -0.094 30 20 DBED C[C@H](C(=O)N(C)CCC#N)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 266193654 XNFAZYWRWAYMSF-LZQZFOIKSA-N 305.334 -0.091 30 20 DBED C=CCNC(=O)c1ccc(N2CCO[C@@H](C(=O)NC)C2)nc1 273049971 BLADNNQTTZYNTI-GFCCVEGCSA-N 304.350 -0.051 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CCN(C)CC2)C1=O 298003101 YIZOYIRFLSMXHJ-LBPRGKRZSA-N 308.382 -0.994 30 20 DBED CS(=O)(=O)N1CCC(CN/C(O)=N/CCN2CCC2)CC1 328692296 FFJSIEABDORQTF-UHFFFAOYSA-N 318.443 -0.133 30 20 DBED C/N=C(/O)NC1CN(/C(O)=N/C[C@@H]2CCc3nnc(C)n3C2)C1 328701767 NLNHLSMCCUROSY-JTQLQIEISA-N 321.385 -0.119 30 20 DBED O=C1CN(/C(O)=N/[C@H]2CC(=O)N(C3CC3)C2)CCN1C1CC1 328831332 RHJCYXJTROUJDT-JTQLQIEISA-N 306.366 -0.030 30 20 DBED O=C(N1CCCC1)[C@]1(O)CCCN(/C(O)=N/[C@@H]2[C@H]3COC[C@H]32)C1 329166556 HVYFGJODFUPSEF-VLXAULBPSA-N 323.393 -0.006 30 20 DBED COCC[C@@H]1COCCN1/C(O)=N/C[C@H]1CN(C)CCO1 329796779 HBMPUAHPFVIWPC-OLZOCXBDSA-N 301.387 -0.032 30 20 DBED C[C@H]1CN(S(=O)(=O)CC2(C#N)CC2)CCS(=O)(=O)C1 330355792 QXJKIZJIUKFDSM-JTQLQIEISA-N 306.409 -0.014 30 20 DBED CC[C@@H](C)NC(=O)CN1CCN(CC(=O)N/C(O)=N/C)CC1 330439671 REOKMVBSOLAVEJ-LLVKDONJSA-N 313.402 -0.821 30 20 DBED COC(=O)[C@@H]1CN(/C(O)=N/CC(=O)N2CCCCC2)CCO1 330562660 IUBJYJXJFFKQOD-NSHDSACASA-N 313.354 -0.213 30 20 DBED CCC/N=C(/O)NC(=O)CN1CCO[C@H](Cn2cncn2)C1 330653930 LSLHPLBVLWKMLT-NSHDSACASA-N 310.358 -0.581 30 20 DBED CCC(=O)N[C@@H]1CCCN(/C(O)=N/CCS(=O)(=O)NC)C1 331317834 ZAWNLMXJZGTTQK-SNVBAGLBSA-N 320.415 -0.560 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)NC[C@@H]2CCN(C3CC3)C2)CCO1 336909758 HGKODGJUIFXWAF-WCQYABFASA-N 314.411 -0.471 30 20 DBED C=CCN1CC[C@@H](N2CCC[C@@H](CNS(N)(=O)=O)C2)C1=O 337189652 RGLVNVSHEDHJKF-NWDGAFQWSA-N 316.427 -0.722 30 20 DBED N#Cc1cc([N+](=O)[O-])cnc1NCCS(=O)(=O)NC1CC1 341926869 JITNGNJNQLVFMO-UHFFFAOYSA-N 311.323 0.355 30 20 DBED COC(=O)CCN1CC[C@@H](NC(=O)N2CCO[C@H](C#N)C2)C1=O 347146944 CYSRRRYVPCJHTI-GHMZBOCLSA-N 324.337 -0.916 30 20 DBED COC(=O)CCN1CC[C@H](NC(=O)N(C)C[C@H](C)C#N)C1=O 347185331 CWAXEFKEVAODIM-MNOVXSKESA-N 310.354 -0.049 30 20 DBED C[C@H]1[C@H](N2CCOCC2)CCN1S(=O)(=O)N(C)CCC#N 349782634 ZVPJRZWNVBIWQF-QWHCGFSZSA-N 316.427 -0.128 30 20 DBED N#Cc1cc([N+](=O)[O-])cnc1N1CCN2C(=O)NC(=O)[C@@H]2C1 351882046 VNVXJKWJNCBBMV-VIFPVBQESA-N 302.250 -0.398 30 20 DBED CCN(CC(=O)N1CCN(CC(=O)N(C)C)CC1)C[C@@H](C)C#N 353268032 PQYUVZBUFGQKRR-AWEZNQCLSA-N 323.441 -0.300 30 20 DBED C=CCN(CCOC)C(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C 420064545 OSWTUSRQSRADQE-NWDGAFQWSA-N 313.398 -0.123 30 20 DBED CN1C(=O)CC[C@@H](NC(=O)CNc2ccc(C#N)cn2)C1=O 425086760 KTYDSWISBOIYNX-SNVBAGLBSA-N 301.306 -0.371 30 20 DBED C=C[C@@H]1OCC[C@H]1NC(=O)N(CCO)CCN1CCOCC1 459020186 IPGOGSWWFHCREI-KGLIPLIRSA-N 313.398 -0.334 30 20 DBED C#CCN1CCN(C(=O)CN2CCC[C@@H]2CC(=O)OC)CC1 490865519 CYYZLBNWFSJUAD-CQSZACIVSA-N 307.394 -0.209 30 20 DBED C#C[C@H](CC)NC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 491517131 XKNSBLIYGWZHAZ-IJLUTSLNSA-N 312.391 -0.450 30 20 DBED COCC(COC)NC(=O)C(=O)Nc1cc(C)c(C#N)cn1 569352847 GHUGKUXGFVMSGW-UHFFFAOYSA-N 306.322 -0.022 30 20 DBED CC(C)(O)[C@@H]1CCCN1C(=O)C(=O)NC1CCN(CC#N)CC1 588125980 VRYPFPFYPVQFIV-ZDUSSCGKSA-N 322.409 -0.148 30 20 DBED COc1ccccc1[C@@H](N)CNC(=O)Cn1cnc(C#N)n1 593900184 LGAMEFVWEHWTBA-NSHDSACASA-N 300.322 -0.025 30 20 DBED CC(C)(CNC(=O)N1CCO[C@@H](C#N)C1)NS(C)(=O)=O 609470778 NXYDNNUXMZUZKG-VIFPVBQESA-N 304.372 -0.752 30 20 DBED C=CCCOCCNC(=O)[C@H]1CCCN(S(N)(=O)=O)C1 613017031 KLUGFLMKAQBDCN-NSHDSACASA-N 305.400 -0.389 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)NC[C@@H]2CCCNC2=O)cc1 619868180 ZJGMIWJZPHBEQH-ZDUSSCGKSA-N 314.345 -0.070 30 20 DBED N#CCNC(=O)CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O 728148487 JFJMVPDOMFUHQR-HNNXBMFYSA-N 314.301 -0.144 30 20 DBED N#CCNC(=O)COC(=O)CNC(=O)c1ccc(C#N)cc1 731243625 WSXMWVDNSQMAQK-UHFFFAOYSA-N 300.274 -0.529 30 20 DBED NC(=O)CNC(=S)NN=Cc1cccc(OCC(=O)O)c1 733204326 NRJWSLYFTUDEIA-UHFFFAOYSA-N 310.335 -0.567 30 20 DBED COc1cc(OC(=O)c2cn(CC(N)=O)nn2)ccc1C#N 767154596 UIJFQGFBELMVAU-UHFFFAOYSA-N 301.262 -0.137 30 20 DBED C#C[C@@H](NC(=O)C(=O)Nc1c(C)ccn(C)c1=O)[C@@H]1CCCO1 773784326 FUGCIRYZQRHOOE-NEPJUHHUSA-N 317.345 -0.071 30 20 DBED C#CCOCCNC(=O)c1cc(OC)c(S(N)(=O)=O)s1 784765669 CIPYXTADIGPBHV-UHFFFAOYSA-N 318.376 -0.216 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N2CCC[C@]23CCOC3=O)CCO1 800116103 ADGTVBBMZMHQLA-ZYHUDNBSSA-N 315.351 -0.763 30 20 DBED N#C[C@@H]1COCCN1S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 822805661 AMTVPYAHQHYNGZ-SNVBAGLBSA-N 320.334 -0.220 30 20 DBED CC#CC[C@H](CO)NC(=O)NC[C@@H]1COC2(CCOCC2)O1 826857042 OYICHZDEQRYJQL-CHWSQXEVSA-N 312.366 -0.018 30 20 DBED C#CCN1CCC(NC(=O)C[C@]2(C)CCS(=O)(=O)N2)CC1 830163549 ZZOCHOCKIQMULT-AWEZNQCLSA-N 313.423 -0.328 30 20 DBED C=CCNC(=S)N1CCN(C(=O)CN2CCOCC2)CC1 839418540 ZIPKXNDWXUTBKT-UHFFFAOYSA-N 312.439 -0.477 30 20 DBED C#CCN(C)CCCNC(=O)N1C[C@H](C)O[C@H](C(=O)OC)C1 845221101 PSYWEFONGAZSFY-STQMWFEESA-N 311.382 -0.087 30 20 DBED CC#CCN1C[C@H](CNC(=O)c2ccnn2CCOC)[C@@H](O)C1 958171035 FWGKCGHHQYFPHN-ZFWWWQNUSA-N 320.393 -0.425 30 20 DBED C=CCCN1C[C@@H](O)[C@@H](CNC(=O)c2ccc(C(N)=O)[nH]2)C1 958408573 KDHYUOCVTNGMNK-GXFFZTMASA-N 306.366 -0.288 30 20 DBED C#CCCN1C[C@@H](O)[C@@H](CNC(=O)c2ccc(C(N)=O)[nH]2)C1 958410117 YJWOHMXXDBBYSU-GXFFZTMASA-N 304.350 -0.841 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2c(C)nn(C)c2OC)C1 958447264 ASQLSSQNWVCWSC-NEPJUHHUSA-N 306.366 -0.607 30 20 DBED C=CCCn1cc(C(=O)NC[C@@H]2CN(CC#N)C[C@@H]2O)nn1 958477026 SWFRLBUPQZOWEW-YPMHNXCESA-N 304.354 -0.600 30 20 DBED C=CCN1C[C@@H](O)[C@@H](CNC(=O)c2nc(O)nc(O)c2OC)C1 958581827 UCMBHGCNSKYUGT-DTWKUNHWSA-N 324.337 -0.895 30 20 DBED C#Cc1cncc(C(=O)NC2[C@@H]3CN([C@@H](CC)C(N)=O)C[C@@H]23)c1 961723905 UIIKURBULXLPKW-MCIONIFRSA-N 312.373 -0.013 30 20 DBED Cc1cncc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)c1 962042931 YQJXQVSEJOTDLP-RTXFEEFZSA-N 302.334 -0.149 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2[C@@H]3CN([C@@H]4CCNC4=O)C[C@@H]32)cn1 962326231 MWLBJBFSMQCDMT-BARDWOONSA-N 310.357 -0.389 30 20 DBED CC(C)[C@@H](O)C(=O)N1C[C@H](O)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 962328065 BFLDCJHBKVOHEJ-FRRDWIJNSA-N 320.349 -0.795 30 20 DBED C[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1NC(=O)c1cn(C)nn1 966401543 QULDVWIBRSPRBI-JQWIXIFHSA-N 301.350 -0.195 30 20 DBED CC#CCN1CC[C@H](C)[C@H](NC(=O)CN2CC(=O)N(C)C2=O)C1 968538807 LDTNPBPZJIHAMV-QWHCGFSZSA-N 320.393 -0.270 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)c3cnn(C)n3)C[C@@H]2O)C1 970395035 NYTLHYYEMSKZJN-NEPJUHHUSA-N 319.365 -0.527 30 20 DBED N#Cc1c[nH]c(C(=O)N2C[C@H]3CCN(C(=O)CC(N)=O)C[C@H]32)c1 971702885 PFWQEYXJRUMGEL-ZYHUDNBSSA-N 315.333 -0.565 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)C[C@H]3CCC(=O)NC3)C2)C1 972408676 MGXOETLMTGRYQX-PBHICJAKSA-N 319.405 -0.161 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)[C@@H]3CCNC(=O)CC3)[C@H]2C1 976872511 LKUVUHCDJXZZJV-MOWSAHLDSA-N 318.377 -0.365 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)C(N)=O 976879250 DXORSAINIWHGKH-UPJWGTAASA-N 320.393 -0.887 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CCC(NC(=O)C(N)=O)CC1 980313490 KRYUBZKUCGSCGK-BPCQOVAHSA-N 320.393 -0.887 30 20 DBED C#CCN[C@H]1CN(C(=O)CCc2nnc(O)nc2O)CC1(C)C 996002660 JVZAMVISIAIRPB-NSHDSACASA-N 319.365 -0.325 30 20 DBED COc1c(O)nc(O)nc1C(=O)N1CCC(NCC#N)CC1 997191464 LVSKWTDQBPAZTP-UHFFFAOYSA-N 307.310 -0.386 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2COCCO2)C1 999989046 WWGSVOLQIQQGLL-AGIUHOORSA-N 310.350 -0.680 30 20 DBED C[C@H](C#N)C(=O)N1CC(CNC(=O)C2CCN(C(N)=O)CC2)C1 1001824576 NMTLECPGWHFWSM-SNVBAGLBSA-N 321.381 -0.489 30 20 DBED C=CCn1cc(C(=O)N[C@H](C)C2CN(C(=O)COC)C2)nn1 1006111768 SEDREDHKFHDYSJ-SNVBAGLBSA-N 307.354 -0.313 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1CCCN(CC(=O)N(C)C)C1 1007519243 MQWODGXINIUZJB-GJZGRUSLSA-N 320.437 -0.247 30 20 DBED N#CCN1CCC[C@H](NC(=O)Cc2ccc(C(N)=O)nc2)C1 1007634799 DCLLPRYKQFGCSC-LBPRGKRZSA-N 301.350 -0.173 30 20 DBED C#CCN1CCC[C@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)C1 1009099986 UNNISMIKDMMIFJ-NSHDSACASA-N 306.366 -0.469 30 20 DBED C[C@@H](CN1CCOCC1)C(=O)N1CCN(C(=O)[C@H](C)C#N)CC1 1011163760 BXRNQUUYARUKMQ-KGLIPLIRSA-N 322.409 -0.215 30 20 DBED Cn1cc(CC(=O)NC2[C@H]3CN(C(=O)C#CC4CC4)C[C@H]23)cn1 1012854274 CPHMCUUKTDWVPP-KBPBESRZSA-N 312.373 -0.051 30 20 DBED CN1C[C@H](C(=O)NC2[C@H]3CN(C(=O)C#CC4CC4)C[C@H]23)CC1=O 1013241375 BSGJOYGBGBXVLM-AGIUHOORSA-N 315.373 -0.549 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCCN(C(=O)C(N)=O)[C@@H]2C)nn1 1014955387 KNBAWJARRGVNDH-NXEZZACHSA-N 320.353 -0.941 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@H](N[C@H](CC)C(N)=O)C1 1018986187 UXDHYBHQNRANKO-MJBXVCDLSA-N 306.410 -0.462 30 20 DBED C[C@H](C#N)C(=O)N1CCCO[C@H](CNC(=O)c2cn(C)nn2)C1 1019581485 XRHAYBZIHSQFLT-GHMZBOCLSA-N 320.353 -0.678 30 20 DBED C#CCN[C@H]1C[C@H](NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 1020149730 AMFMRWFVOVYHIZ-SRVKXCTJSA-N 301.350 -0.367 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CCN(C(=O)c3cnnn3C)[C@@H]2C1 1021512929 SHHLUJPSORBUPT-JBLDHEPKSA-N 302.338 -0.352 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@@H](N[C@@H]2CCN(C)C2=O)C1 1022221957 TWJVWZWHGMOBOV-BARDWOONSA-N 318.421 -0.449 30 20 DBED CC(C)(F)C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1O 1022889904 GHHIHODKDIUORM-GHMZBOCLSA-N 308.313 -0.064 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCCN(CC(=O)NC)C1 1023423708 DNSVDZWGHUXHJB-GJZGRUSLSA-N 320.437 -0.342 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2cncnc2)C1 1023543264 JRPLASWZNDHKLP-CHWSQXEVSA-N 318.377 -0.081 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CN(C(=O)C3CCC3)C[C@H]2O)nn1 1023768975 FNEGGWWIRWGQCO-DGCLKSJQSA-N 319.365 -0.434 30 20 DBED C=CCN[C@@H]1CC[C@H]2CN(C(=O)CN3CCNC(=O)C3)C[C@@H]21 1026331532 WEIKWKDUPSJTFE-MELADBBJSA-N 306.410 -0.569 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@@H](CN[C@@H]3CCNC3=O)C2)[nH]1 1026788719 MFRDRTJVNUKDSE-CMPLNLGQSA-N 301.350 -0.173 30 20 DBED COCCn1nccc1C(=O)NC[C@@H]1CN(CC#N)CCO1 1035409882 DSFSMFIXMSLXKI-GFCCVEGCSA-N 307.354 -0.516 30 20 DBED N#CCN1CCO[C@@H](CNC(=O)[C@@H]2CCCN(C(N)=O)C2)C1 1035435673 USIMOFVAQRPHNP-NEPJUHHUSA-N 309.370 -0.882 30 20 DBED C#CCN1CCO[C@H](CNC(=O)c2cn([C@H]3CCOC3)nn2)C1 1035569851 ADSBNALGSLMRHW-QWHCGFSZSA-N 319.365 -0.697 30 20 DBED CC#CCN1CCO[C@@H](CNC(=O)[C@@H]2CCCC(=O)N2C)C1 1035594875 AHWOVDPKAVLDSW-KBPBESRZSA-N 307.394 -0.162 30 20 DBED C#CCN1CCC(C(=O)NC[C@@H]2CN(CCCO)CCO2)CC1 1035613166 FBCPJRDOSIGWBU-MRXNPFEDSA-N 323.437 -0.469 30 20 DBED CCO[C@H](C)C(=O)N1CC[C@](O)(CNC(=O)C#CC2CC2)C1 1039676884 BOJDOQLHMNMUQI-WBMJQRKESA-N 308.378 -0.096 30 20 DBED N#CCN1[C@H]2CCC[C@H]1CN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)C2 1039910808 HASNJNFYFBUXQS-ZDEQEGDKSA-N 306.366 -0.392 30 20 DBED CC(C)C#CC(=O)N1CC[C@@](O)(CNC(=O)c2cncn2C)C1 1040235342 SFPIEYXZNGGXQS-MRXNPFEDSA-N 318.377 -0.227 30 20 DBED Cn1cc(C(=O)N2CC[C@H]3CN(c4cncc(C#N)n4)C[C@H]32)nn1 1040603538 QDQUEVRRDXOGRX-GXFFZTMASA-N 324.348 -0.172 30 20 DBED C=C1CC(C)(C(=O)NC[C@@]2(O)CCN(C(=O)CNC(N)=O)C2)C1 1040850848 RCUWTFXPUWBRPV-HNNXBMFYSA-N 324.381 -0.909 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)C2=COCCC2)C1 1041980717 SRHZIAZIARBOCB-UHFFFAOYSA-N 322.361 -0.590 30 20 DBED Cn1cc(C(=O)N2CC[C@H]3CCN(CC#N)[C@@H]3C2)n(C)c1=O 1042371926 WYARDYUBUFGTPJ-VXGBXAGGSA-N 303.366 -0.216 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(O)CN(C(=O)c2cnn(C)c2)C1 1042808509 AJASRCPMPCPNFB-CQSZACIVSA-N 322.365 -0.950 30 20 DBED CC(C)(C)C#CC(=O)N1CC(O)(CNC(=O)[C@@]23COC[C@@H]2C3)C1 1043363326 ZDHUJUCBNHTSNT-SJCJKPOMSA-N 320.389 -0.238 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)[C@H]2CCC2(F)F)C1 1043591682 NXDQCFXSZNHRAS-RKDXNWHRSA-N 301.293 -0.119 30 20 DBED COCC1(C(=O)NCC2(O)CN(C(=O)C#CC(C)C)C2)CC1 1043865704 LIWBBOLIOPVYBL-UHFFFAOYSA-N 308.378 -0.238 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)[C@H]2CCO[C@@H]2C)C1 1045293675 QEWZSTJJIFSNJQ-OLZOCXBDSA-N 308.378 -0.096 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)c2ccc(O)nc2)C1 1045552669 VLSKQKOBAGTQTG-VIFPVBQESA-N 304.306 -0.750 30 20 DBED Cn1cc(C(=O)NC[C@@H]2CC3(CCN(CC#N)CC3)CO2)nn1 1045666373 GLGOAUVVOTVFFQ-LBPRGKRZSA-N 318.381 -0.060 30 20 DBED CC#CCN1CC[C@@H](N2CCN(C(=O)c3cn(C)nn3)CC2)C1 1046026535 ZBQZHBRWBTVXSY-CQSZACIVSA-N 316.409 -0.330 30 20 DBED C[C@H](C(=O)NCC1(O)CN(C(=O)[C@H](C)C#N)C1)c1cnn(C)c1 1046929827 PNPQWYBHOBVVPD-MNOVXSKESA-N 319.365 -0.627 30 20 DBED C#CCN1C[C@H]2C[C@@H](NC(=O)CN3C(=O)CN(C)C3=O)C[C@H]1C2 1047197359 FXDILXLUDYDIQN-YNEHKIRRSA-N 318.377 -0.517 30 20 DBED C#CCN1C[C@@H]2CCCN(C(=O)CN3C(=O)CN(C)C3=O)[C@@H]2C1 1050198753 YZGOKKKNHSTGSP-QWHCGFSZSA-N 318.377 -0.564 30 20 DBED C#CCCN1CCOC[C@@H]1CNC(=O)[C@@H]1CCCC(=O)N1C 1051228979 STHRILGKJCYSDZ-KBPBESRZSA-N 307.394 -0.162 30 20 DBED C=CCN1CCOC[C@@H]1CNC(=O)[C@H]1CN(C(C)=O)CCO1 1051230882 MJSXJRBJXLCPDE-UONOGXRCSA-N 311.382 -0.763 30 20 DBED Cn1ncnc1CN1CC2(C1)CN(C(=O)C#CC1CC1)CCO2 1053249808 CXZFPEVSYSNHBQ-UHFFFAOYSA-N 315.377 -0.358 30 20 DBED C[C@@H]1OCCO[C@@H]1C(=O)NC[C@@H]1CCC2(CN(CC#N)C2)O1 1053614059 QRSSKQDDWRZIAW-AVGNSLFASA-N 309.366 -0.337 30 20 DBED C#CCN1CC2(CC[C@H](CNC(=O)c3cn(C)ccc3=O)O2)C1 1053631347 VIHMSBXZHHHWEC-CYBMUJFWSA-N 315.373 -0.018 30 20 DBED C=CCCO[C@H](C)C(=O)N1C[C@@H]2CN(C(=O)CC(N)=O)C[C@@H]2C1 1055223169 SEPNRYYDLJFKPL-UPJWGTAASA-N 323.393 -0.240 30 20 DBED C#CCOCCC(=O)N1C[C@H]2CN(C(=O)CC(=O)NC)C[C@H]2C1 1055304029 NEKBJYGFLRWMIJ-BETUJISGSA-N 321.377 -0.921 30 20 DBED C=CCCC(=O)N1CCC[C@](CO)(NC(=O)CNC(C)=O)C1 1055719262 ZETRSKHVPZCMHM-HNNXBMFYSA-N 311.382 -0.442 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@](CO)(NC(=O)c2cnns2)C1 1055799130 XHDRWASSEIKVIK-ZANVPECISA-N 323.378 -0.219 30 20 DBED CN(c1cncc(C#N)n1)[C@H]1CCN(C(=O)c2cnnn2C)C1 1056908764 UAQJCQFKSDFYJD-NSHDSACASA-N 312.337 -0.172 30 20 DBED N#CCSCC(=O)N(CCO)CCNC(=O)c1ncc[nH]1 1057026957 SFNHQQBDQYMWGB-UHFFFAOYSA-N 311.367 -0.783 30 20 DBED C=C[C@@](C)(O)CC(=O)N(CCO)CCNC(=O)C#CC(C)C 1057449388 AZILBXGDRNJOSQ-MRXNPFEDSA-N 310.394 -0.090 30 20 DBED CN1CCOC[C@@H]1C(=O)N[C@H]1CCN(c2ncccc2C#N)C1 1058319003 KUEHTFYBHDLJHT-UONOGXRCSA-N 315.377 -0.021 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)C[C@@H]1COC(=O)C1 1058653055 LHQXWQXVRSBXQG-QWRGUYRKSA-N 311.338 -0.964 30 20 DBED N#Cc1cncc(N[C@H]2C[C@H](NC(=O)C[C@@H]3CCNC3=O)C2)n1 1059324792 VXJHDERMHBVFRR-DCAQKATOSA-N 314.349 -0.066 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CC[C@H](CNC(=O)CCNC(N)=O)CC1 1060811624 BNWZRGPJAUXDRC-SRVKXCTJSA-N 323.397 -0.004 30 20 DBED N#Cc1nccc(N2CCC[C@H]2CNC(=O)[C@H]2CNC(=O)N2)n1 1061440951 LUXKCSFDRNXHLC-VHSXEESVSA-N 315.337 -0.885 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@H]1COCCN1C(=O)c1cnon1 1061542605 LLQAAZQFKUYICS-QMTHXVAHSA-N 324.337 -0.646 30 20 DBED CCCN(C)CC(=O)NC[C@@H]1COCCN1C(=O)[C@@H](C)C#N 1061740758 FWWMZFRDDKCTMA-QWHCGFSZSA-N 310.398 -0.169 30 20 DBED C=CCCCC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1CNC(=O)N1 1061831846 ZIADXGVBRYFKRK-NEPJUHHUSA-N 324.381 -0.632 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CCCCN1C(=O)Cn1ncnn1 1062231017 PGQBPKPEFLKWOX-CYBMUJFWSA-N 316.365 -0.416 30 20 DBED C=CCOCC(=O)NC[C@H]1CCCCN1C(=O)[C@H]1CNC(=O)N1 1062328948 KGQHZSYZBGEDAJ-VXGBXAGGSA-N 324.381 -0.632 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)[C@@H]2CCC(=O)NC2)CCC1 1063574778 GJHNSZNDNJUDDH-WDEREUQCSA-N 306.366 -0.173 30 20 DBED N#Cc1ccc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)Cn2cnnn2)nc1 1064221086 OHYIBNWWBJQHRE-SUNKGSAMSA-N 310.321 -0.667 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CN(C(=O)c2ncccc2O)CCO1 1065074322 VBSQTNSRZFKQDV-GHMZBOCLSA-N 318.333 -0.096 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CN(C(=O)CCn2ccnn2)CCO1 1065086677 BFQDCHLWRNCSRM-NWDGAFQWSA-N 320.353 -0.829 30 20 DBED Cn1nnc(C(=O)N[C@@]2(C)CCN(c3cnc(C#N)cn3)C2)n1 1065316948 QGHDRVYPDNVANL-ZDUSSCGKSA-N 313.325 -0.729 30 20 DBED CC(C)(C)C#CC(=O)NC[C@@H]1CN(C(=O)c2cnn[nH]2)CCO1 1065327260 XFZQOWKSZNBORJ-LLVKDONJSA-N 319.365 -0.189 30 20 DBED Cc1nonc1CC(=O)NC[C@H]1CN(C(=O)[C@@H](C)C#N)CCO1 1065557462 REMQODQZPPSPRK-ONGXEEELSA-N 321.337 -0.576 30 20 DBED C=C1CC(C)(C(=O)N2CCO[C@@H](CNC(=O)CC(=O)NC)C2)C1 1065597229 ZZSFYGYFAUYJAY-LBPRGKRZSA-N 323.393 -0.178 30 20 DBED Cn1cc(C(=O)N2C[C@@H]3CN(c4ccnc(C#N)n4)C[C@@H]3C2)nn1 1065999447 UIGRJDGVSLOBJW-PHIMTYICSA-N 324.348 -0.315 30 20 DBED C=CCOCC(=O)N1CCC[C@@H](NC(=O)Cn2cncn2)CC1 1066550380 ABDFTISQFJPBSA-CYBMUJFWSA-N 321.381 -0.022 30 20 DBED C=C(C)C[C@H](C)C(=O)N[C@H]1COC2(C1)CN(C(=O)C(N)=O)C2 1068975926 PDIIQRQKZJVRNC-WDEREUQCSA-N 309.366 -0.440 30 20 DBED CC(C)C#CC(=O)N1CCC[C@]2(CCN(C(=O)C(N)=O)C2)C1 1069749051 KVSMOOMHEXAHEI-INIZCTEOSA-N 305.378 -0.028 30 20 DBED C#CCN1CCOC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CCCO2)n1 1070578568 HRHJBEQWAJMUTR-NEPJUHHUSA-N 319.365 -0.394 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)Cc4cncnc4)C[C@@]3(C1)O2 1070794042 WVUQAMNZXIIQJN-ZMSDIMECSA-N 312.373 -0.046 30 20 DBED N#CCN1CCNC(=O)CCN(C(=O)c2ccncc2)CC1 1070932283 IBJMMDHGSJQNGK-UHFFFAOYSA-N 301.350 -0.131 30 20 DBED N#CCN1CCNC(=O)CCN(C(=O)C[C@H]2CCOC2)CC1 1070949676 RAFNTIUEQUFHNV-CYBMUJFWSA-N 308.382 -0.413 30 20 DBED CO[C@@H](C(=O)N1CCC(=O)NCCN(CC#N)CC1)C1CC1 1070959815 JFICPOIFOMIEGF-CQSZACIVSA-N 308.382 -0.415 30 20 DBED C#CCCN1CCNC(=O)CCN(C(=O)c2ncccn2)CC1 1071010495 NUCCKNXAPKTJBM-UHFFFAOYSA-N 315.377 -0.236 30 20 DBED C[C@H]1CN(C(=O)CNC(N)=O)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 1071572843 AWTJMYCPQWSFHB-GZMMTYOYSA-N 318.337 -0.869 30 20 DBED C#CCCCC(=O)N1C[C@H](C)[C@H](NC(=O)CC(=O)NCC#C)C1 1072000229 SXMMBWHMPOJEIG-UONOGXRCSA-N 317.389 -0.108 30 20 DBED C[C@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1NC(=O)CSCC#N 1072014821 VDYFSKAUYWCESB-VHSXEESVSA-N 322.394 -0.351 30 20 DBED C[C@@H]1CC[C@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)CN1CC#N 1072043764 DQWVYYBPFAGLPI-MNOVXSKESA-N 321.381 -0.191 30 20 DBED C#CCOCCC(=O)N1C[C@@H](NC(=O)[C@@H]2[C@H]3COC[C@H]32)[C@H](C)C1 1072094750 WFHDNKAGEDKFAI-SSZWKKLZSA-N 320.389 -0.118 30 20 DBED C=CCCOCC(=O)N1C[C@H](C)[C@@H](NC(=O)c2ncn(C)n2)C1 1072333343 MRWUBUYVBMHDCV-RYUDHWBXSA-N 321.381 -0.016 30 20 DBED C=CCCOCC(=O)N1C[C@H](C)[C@@H](NC(=O)c2nc[nH]n2)C1 1072337875 XWZSNVYZXGKKPN-QWRGUYRKSA-N 307.354 -0.026 30 20 DBED C[C@H](NC(N)=O)C(=O)N1CCC(C)(NC(=O)C#CC2CC2)CC1 1072977957 WIFQGJXGBPPFOZ-NSHDSACASA-N 320.393 -0.046 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC(C)(NC(=O)CNC(N)=O)CC1 1073023467 CHVZEPNEWBJDDR-LLVKDONJSA-N 324.381 -0.810 30 20 DBED C=C(C)CCN1CCO[C@@H]2CCN(C(=O)Cn3cnnn3)C[C@@H]21 1074166499 INKBINGVAWHKKG-UONOGXRCSA-N 320.397 -0.059 30 20 DBED N#CCN1CCO[C@H]2CCN(C(=O)CN3CCOCC3)C[C@@H]21 1074219403 OVYXXZXUHJJQIN-KBPBESRZSA-N 308.382 -0.856 30 20 DBED CC(C)C#CC(=O)N[C@H]1CCN(C(=O)Cn2cnnn2)[C@H](C)C1 1074972345 DZKVAIFNVPSKNX-OLZOCXBDSA-N 318.381 -0.172 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H](C)CCNC(=O)CS(C)(=O)=O 1075818157 DVFBVOQYEDEGJV-WDEREUQCSA-N 320.411 -0.367 30 20 DBED C[C@@H](CCNC(=O)C#CC1CC1)NC(=O)[C@H]1CCC(=O)NC1 1076433945 XDERWXIKDVOKJD-AAEUAGOBSA-N 305.378 -0.063 30 20 DBED C#CCO[C@H](C)C(=O)NCC[C@H](C)NC(=O)[C@@H]1CCC(=O)N1 1076509266 SOMHQZZDNYZRRH-TUAOUCFPSA-N 309.366 -0.686 30 20 DBED C[C@@H](CCNC(=O)C[C@H]1CCNC1=O)NC(=O)C#CC1CC1 1076848745 AGRCBSWSOWUXRA-WCQYABFASA-N 305.378 -0.063 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCN(C(=O)CC)C2)C1 1077046065 AODBWWNZTLGBMM-RRFJBIMHSA-N 321.421 -0.180 30 20 DBED C=CCO[C@@H](C)C(=O)NCC[C@H](C)NC(=O)c1c[nH]c(=O)cn1 1077066745 WNPAVHWKXIOTIX-QWRGUYRKSA-N 322.365 -0.014 30 20 DBED Cn1c(=O)oc2c(C(=O)N[C@@H]3CN(CC#N)C[C@H]3O)cccc21 1077128997 OOXOECQOCHTKCR-ZYHUDNBSSA-N 316.317 -0.570 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)c2c3n(c(=O)n2C)CCCC3)C1 1077680715 UDHOAHMRADHSNJ-DGCLKSJQSA-N 320.393 -0.516 30 20 DBED C=CCCCC(=O)N[C@@H](C)CCNC(=O)CN1CC(=O)NC1=O 1077819513 ZNVBDHCNFCMAQT-NSHDSACASA-N 324.381 -0.095 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN2C(N)=O)C1 1078276474 ITMMYCUWFFPEGD-OUAUKWLOSA-N 316.789 -0.557 30 20 DBED CCN(C(=O)C#CC1CC1)C1CN(C(=O)[C@@H](C)CC(N)=O)C1 1079742698 ICIGPBJPEACUBA-NSHDSACASA-N 305.378 -0.029 30 20 DBED C#CCO[C@H](C)C(=O)NC1(CO)CCN(C(=O)C(F)F)CC1 1080860919 CPNIWOOKGKFIBG-SNVBAGLBSA-N 318.320 -0.241 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)c2ncccn2)C[C@@H]1O 1081335649 NMCPZOZSSYODQF-RYUDHWBXSA-N 304.350 -0.008 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2n[nH]cc2C)C[C@H]1O 1081346589 KAGQXCPSXGIIBM-VXGBXAGGSA-N 322.365 -0.530 30 20 DBED N#CCSCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2ncc[nH]2)C1 1081452844 LZFGFEBYMPMHSR-NXEZZACHSA-N 323.378 -0.784 30 20 DBED CC#CCCCC(=O)NC[C@@H]1CN(C(=O)CC(=O)NC)C[C@@H]1O 1081669709 WPYVEZNIRGCYOV-OLZOCXBDSA-N 323.393 -0.748 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H]2CN(CCN3CCCC3=O)C[C@@H]21 1083024553 RLYWFEHMEOPHMI-MELADBBJSA-N 320.393 -0.320 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CCc2cncn2C1 1083125177 IDEABMJZLMGECY-VHDGCEQUSA-N 315.377 -0.119 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cc(C(N)=O)c[nH]1 1083235364 ZNZPEGYIQGXFIH-UONOGXRCSA-N 316.361 -0.338 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCc3ncncc3C2)C1 1083517033 HZDBJUJKCCRSTB-WQVCFCJDSA-N 314.389 -0.234 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2ccc3nc(O)[nH]c3c2)C1 1083820556 SVSIUOCWSHHAIG-NEPJUHHUSA-N 301.306 -0.433 30 20 DBED N#CCN[C@H]1C[C@@H](CNC(=O)c2cn([C@H]3CCOC3)nn2)C1 1086249775 OUDHWPCMZSPZLR-TUAOUCFPSA-N 304.354 -0.139 30 20 DBED CCN(c1cncc(C#N)n1)[C@H](C)CNC(=O)CNC(N)=O 1089571543 ISFGOEPQXIUQLS-SECBINFHSA-N 305.342 -0.652 30 20 DBED Cc1cnc2nc(C(=O)N[C@H]3CCN(CC#N)C[C@H]3O)nn2c1 1090350399 VUEFBBNHIHIKTM-WDEREUQCSA-N 315.337 -0.879 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2cnn3c2OCCC3)[C@@H](O)C1 1090398118 VRAYKRUQNSNHNY-KGLIPLIRSA-N 318.377 -0.146 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2coc(C(N)=O)c2)[C@H](O)C1 1090449604 RGPHENIISVIEPV-NWDGAFQWSA-N 305.334 -0.433 30 20 DBED C=C(Cl)CN1CC[C@H](NC(=O)c2c[nH]c(=O)cn2)[C@@H](O)C1 1090527562 ZKDBCCNRARKZKF-ONGXEEELSA-N 312.757 -0.313 30 20 DBED N#CCN1C[C@@H]2CC[C@H](C1)N2C1CCN(C(=O)C(N)=O)CC1 1093488797 VLXASXHYHCWPPZ-BETUJISGSA-N 305.382 -0.865 30 20 DBED CC(C)(C)[C@H](NC(N)=O)C(=O)NCCNc1ccc(C#N)nn1 1093745006 NLLAODXGBWPSBS-LLVKDONJSA-N 319.369 -0.041 30 20 DBED CN1C[C@@H](C(=O)NCCNc2ncc(C#N)cc2F)NC1=O 1094060308 BVIMSAURZMQDRV-JTQLQIEISA-N 306.301 -0.356 30 20 DBED Cc1cc(C#N)nc(NCCCNC(=O)[C@@H]2CN(C)CCO2)n1 1094349103 GDHFKNFQQWOGEA-ZDUSSCGKSA-N 318.381 -0.095 30 20 DBED Cc1cc(=NCCCNC(=O)[C@@H]2CN(C)CCO2)c(C#N)c[nH]1 1094349534 ZUBIIZYIVJJNLE-HNNXBMFYSA-N 317.393 -0.068 30 20 DBED CN(CCCNC(=O)CCn1cncn1)c1nccnc1C#N 1095479543 ODCDQEXUKHCNTH-UHFFFAOYSA-N 314.353 -0.027 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cn(CCOC)nn1 1097063581 MTUAOMTTWKLCHW-BZPMIXESSA-N 303.366 -0.107 30 20 DBED C[C@@H](CNC(=O)CCn1cnnn1)Nc1cncc(C#N)n1 1098011591 WAVPJQDCMBRLMS-VIFPVBQESA-N 301.314 -0.658 30 20 DBED C[C@@H](CCNC(=O)Cn1nccn1)Nc1nccnc1C#N 1099537844 XRIZGFHVDTVYBD-JTQLQIEISA-N 300.326 -0.053 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)CCSC)[C@H](O)C1 1099657297 QJWVBZLWOTVHFO-CHWSQXEVSA-N 300.424 -0.059 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(Cc2cnns2)C[C@@H]1O 1099737734 CXZFLMQFKZTKKX-NEPJUHHUSA-N 312.395 -0.208 30 20 DBED CC#CCCCC(=O)N[C@H]1CCN(Cc2nnn(C)n2)C[C@@H]1O 1099962057 IMJZPZRCANQYFU-STQMWFEESA-N 320.397 -0.545 30 20 DBED CN(CCN=c1cc[nH]cc1C#N)C(=O)[C@@H]1CCCNC1=O 1101815210 WUPWFCKTBJNBQU-GFCCVEGCSA-N 301.350 -0.228 30 20 DBED C[C@H](NC(N)=O)C(=O)NC[C@H](C)CNc1nccnc1C#N 1103935357 YOXJYQKBUPPXHE-BDAKNGLRSA-N 305.342 -0.431 30 20 DBED C[C@H](CNC(=O)c1nnn(C)n1)CNc1cnc(C#N)cn1 1104181500 CYVPKMCVMYNVOK-QMMMGPOBSA-N 301.314 -0.650 30 20 DBED C=CCn1cc(C(=O)N2C[C@@H](C)[C@H](CCNCC(N)=O)C2)nn1 1104769436 VJGNGYIVFVQXGH-VXGBXAGGSA-N 320.397 -0.363 30 20 DBED CCNC(=O)CC(=O)NC[C@H](N=c1cc[nH]c(C#N)n1)C(C)C 1105157168 ZATBQNVTTIIZAY-NSHDSACASA-N 318.381 -0.151 30 20 DBED C#CCNCc1cn(C2CN(C(=O)c3cccc(O)n3)C2)nn1 1105202101 CTMQIOBMNDMCJG-UHFFFAOYSA-N 312.333 -0.201 30 20 DBED N#Cc1cncc(NC[C@@H](O)CNC(=O)C[C@H]2CCOC2)n1 1105759577 PBKPEKXQFHDLBJ-ZYHUDNBSSA-N 305.338 -0.336 30 20 DBED N#Cc1nccnc1NC[C@@H](O)CNC(=O)C[C@H]1CCOC1 1105760784 YMRFHOOFBLKLNT-MNOVXSKESA-N 305.338 -0.336 30 20 DBED Cn1cc(CC(=O)NC[C@@H](O)CNc2ccc(C#N)nn2)cn1 1105783012 RWQDRLYLXNRGFV-LBPRGKRZSA-N 315.337 -0.787 30 20 DBED CN1CC[C@H](CC(=O)NC[C@H](O)CNc2cnc(C#N)cn2)C1 1105913526 DZDOEDFENPEYBX-DGCLKSJQSA-N 318.381 -0.421 30 20 DBED N#Cc1nccnc1NC[C@@H](O)CNC(=O)Cc1ncc[nH]1 1105937034 BPPYVBKAMNSNPD-VIFPVBQESA-N 301.310 -0.797 30 20 DBED C[C@@H]1CCN(CC(=O)NC[C@@H](O)CN=c2cc[nH]c(C#N)n2)C1 1106103797 CPDDACYAZLMRJJ-NEPJUHHUSA-N 318.381 -0.999 30 20 DBED C[C@@H](CCNc1ccc(C#N)nn1)NC(=O)[C@@H]1CNC(=O)N1 1106543007 MWMYPKBPAQYOTR-WPRPVWTQSA-N 303.326 -0.664 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)c1cnc(O)n1C 1106908708 VJJXUETYBHYILQ-UHFFFAOYSA-N 315.337 -0.217 30 20 DBED C#CCN1CC(n2cc(CNC(=O)C3(N(C)C)CCC3)nn2)C1 1107179273 GSGLHQFPSAUCEH-UHFFFAOYSA-N 316.409 -0.132 30 20 DBED N#Cc1cncc(NC/C=C\CNC(=O)C(=O)NCC(F)F)n1 1107402888 PRJCHHBTZREZJO-UPHRSURJSA-N 324.291 -0.186 30 20 DBED Cc1nnc(CC(=O)N[C@H](C)CN=c2cc[nH]c(C#N)n2)o1 1107712909 ZYAXXCRBSDGOEK-MRVPVSSYSA-N 301.310 -0.379 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)COC(C)(C)C)CC2=O)C1 1108536329 DMUADXCCEWTWQQ-LBPRGKRZSA-N 307.394 -0.164 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)CCc3cn[nH]c3)CC2=O)C1 1108580615 PIMJCPAHETTWQY-ZDUSSCGKSA-N 317.393 -0.070 30 20 DBED CNC(=O)NCCC(=O)N[C@H](C)CN(C)c1ccnc(C#N)n1 1108935077 PRLURPDLQWMFIM-SNVBAGLBSA-N 319.369 -0.392 30 20 DBED C[C@@H](CN(C)c1ccncc1C#N)NC(=O)c1nnn(C)n1 1109179808 VZEUWZXTLRYQGE-VIFPVBQESA-N 300.326 -0.269 30 20 DBED C=C(C)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CNC(=O)CNC(C)=O 1109459443 MUTQLKPICPSUEE-RDBSUJKOSA-N 322.409 -0.464 30 20 DBED CC(=O)NCC(=O)N(C)[C@H]1CN(c2ccncc2C#N)C[C@@H]1O 1111169923 PLHZWGKUAFHYBK-KBPBESRZSA-N 317.349 -0.903 30 20 DBED N#Cc1c[nH]ccc1=NCCN(CCO)C(=O)c1cnccn1 1111411677 OAFOWTKUHWITGN-UHFFFAOYSA-N 312.333 -0.288 30 20 DBED Cc1cc(C#N)nc(NCCN(CCO)C(=O)c2cc[nH]n2)n1 1111426684 HQAFOIQMVDXDMA-UHFFFAOYSA-N 315.337 -0.074 30 20 DBED CCOCC(=O)NC[C@@H]1CN(c2ccc(C#N)nc2)C[C@@H]1O 1112692475 NYQYTPRFRLYKRK-RISCZKNCSA-N 304.350 -0.097 30 20 DBED C[C@H](NC(=O)C1CS(=O)(=O)C1)[C@@H](C)Nc1ccc(C#N)nn1 1113184234 YLCHINZHBQTJMR-BDAKNGLRSA-N 323.378 -0.302 30 20 DBED C=CCNC(=O)NC(=O)CN1CCN(C(=O)CCCF)CC1 1113212655 UHOMOOQZJYBSET-UHFFFAOYSA-N 314.361 -0.108 30 20 DBED CC(=O)N(C)CC(=O)NC[C@@H](C)N(C)c1nccnc1C#N 1113497545 AJWSERDCBADKRK-SNVBAGLBSA-N 304.354 -0.233 30 20 DBED C[C@H](CNC(=O)CCNC(N)=O)N(C)c1nccnc1C#N 1113609104 BROVKIRCQSZBHG-SECBINFHSA-N 305.342 -0.652 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3ccc(O)nn3)[C@H]2C1 1113809141 CGBOFOVIRYFDEY-MSRIBSCDSA-N 317.349 -0.856 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)c3cc(C)on3)[C@@H]2C1 1113818744 IDSZBISICKLVBQ-QJPTWQEYSA-N 316.361 -0.219 30 20 DBED COCCOC[C@H](O)CN1C[C@@H]2C(NC(=O)C#CC3CC3)[C@H]2C1 1114255596 LMKLWBXAIGSCMT-ILXRZTDVSA-N 322.405 -0.530 30 20 DBED C=CCOCCN1C[C@H]2[C@H](NC(=O)[C@H](C)S(C)(=O)=O)[C@H]2C1 1114475799 ZKAVCZKIWPIFQW-WUHRBBMRSA-N 316.423 -0.332 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3oncc3C)[C@H]2C1 1115063182 IZQKUGCJJNCTHP-PJXYFTJBSA-N 304.350 -0.055 30 20 DBED CC#CCN1C[C@H]2[C@H](NC(=O)CCC(=O)NCCCOC)[C@H]2C1 1115104065 RKGYDWYUMNJFKZ-HALDLXJZSA-N 321.421 -0.011 30 20 DBED C=CCO[C@H](C)C(=O)NC1[C@H]2CN(Cc3nnnn3C)C[C@H]12 1115332493 OMBHVKDQGQTNKY-VWYCJHECSA-N 306.370 -0.652 30 20 DBED N#CCNC(=O)CNC1(CNC(=O)c2cnn[nH]2)CCCCC1 1115614123 ZTGHLBHBAPUOLH-UHFFFAOYSA-N 319.369 -0.533 30 20 DBED C=CC[C@H](C)NC(=O)C(=O)Nc1cnn(CC(=O)N(C)C)c1 1116249956 CHBRXBSRTJBADZ-JTQLQIEISA-N 307.354 -0.009 30 20 DBED CO[C@@]1(CNC(=O)CCN/C(O)=C2\N=CC=CC2=O)CCOC1 1116601101 ZFBKTEGGMUPVNC-SZGUKTLCSA-N 323.349 -0.175 30 20 DBED C[C@@]1(C#N)CCCN(C(=O)C(=O)N2CC(N3CCCC3=O)C2)C1 1120407307 USINTMZNYKFQQH-INIZCTEOSA-N 318.377 -0.028 30 20 DBED Cc1[nH]nc(C(=O)NC[C@@H](CO)N=c2cc[nH]cc2C#N)c1C 1121248433 BEAWRLPKFQZTNT-LBPRGKRZSA-N 314.349 -0.082 30 20 DBED C[C@@H](C(=O)NC[C@@H](CO)Nc1ccc(C#N)cn1)n1cncn1 1121345656 BYXJJVWBGZCHQZ-JQWIXIFHSA-N 315.337 -0.305 30 20 DBED CO[C@@H](C(=O)NC[C@H](CO)Nc1nc(C)cc(C#N)n1)C1CC1 1121504807 HMHGBPZNAGDFEQ-CHWSQXEVSA-N 319.365 -0.029 30 20 DBED CCCN(C)CC(=O)NC[C@@H](CO)Nc1cnc(C#N)cn1 1121887743 JMDXTYQYMKQKOY-LBPRGKRZSA-N 306.370 -0.421 30 20 DBED COCCO[C@H](C)C(=O)NC[C@@H](CO)Nc1nccnc1C#N 1122012883 OOODRGQDEDHDPQ-MNOVXSKESA-N 323.353 -0.711 30 20 DBED COCCCOCC(=O)NC[C@@H](CO)Nc1nccnc1C#N 1122052051 DHWQSSOKFQRLFM-NSHDSACASA-N 323.353 -0.710 30 20 DBED C=CCCC(=O)NCCN[C@H](C)C(=O)N1CCC[C@H](C(N)=O)C1 1124640938 VGVMXEZFWFPEJP-OLZOCXBDSA-N 324.425 -0.229 30 20 DBED C[C@@H]1CCO[C@@H]1C(=O)N(C)C[C@H](O)CN=c1cc[nH]c(C#N)n1 1124760868 LSVAKZUCROVYCW-GYSYKLTISA-N 319.365 -0.574 30 20 DBED C#CCNC(=O)CC(=O)NCCNC[C@@H](O)Cc1ccccc1 1125982196 RXTHMKKJKDUFLY-HNNXBMFYSA-N 317.389 -0.565 30 20 DBED C#CCCCC(=O)NCCNC[C@@H](O)CO[C@@H](C)COC 1126339261 ULOGDMYINFQCML-UONOGXRCSA-N 300.399 -0.092 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCNCC(=O)NC[C@@H]1CCOC1 1126377630 CMQBLEMGFRKZOX-SWLSCSKDSA-N 313.398 -0.828 30 20 DBED CN(CCOCCNc1nccnc1C#N)C(=O)c1cnn[nH]1 1127514693 DLXVUZPBZGYFOX-UHFFFAOYSA-N 316.325 -0.333 30 20 DBED C=C(C)CNCc1cccc(N2CC[C@H](NC(=O)C(N)=O)C2)n1 1128119436 VLFLLNKVFAZHAT-ZDUSSCGKSA-N 317.393 -0.073 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1cn2c(n1)CCCC2 1128564304 SZVHKHPRVMFFFZ-UHFFFAOYSA-N 305.382 -0.159 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(CC#CC)C[C@@H]1n1ccnn1 1128976416 UUJBPCNKQXXWPN-CABCVRRESA-N 315.377 -0.317 30 20 DBED CC#CCN1CC[C@@H](c2n[nH]cc2CNC(=O)CC(=O)NC)C1 1130381326 VXTUECCHIXZIGV-GFCCVEGCSA-N 317.393 -0.025 30 20 DBED C#CCNC(=O)CNCCNC(=O)CCOC[C@@H]1CCCO1 1130688358 MCNYFUGEZCKKQF-ZDUSSCGKSA-N 311.382 -0.973 30 20 DBED C=CCN1C[C@H]2C[C@H]3CN(C(=O)[C@H](C)NC(N)=O)C[C@@]3(C1)O2 1131217241 KVAMBAVAYBRGEJ-UUIJZJDISA-N 308.382 -0.469 30 20 DBED C=CCOCCN1CCNC(=O)CCN(C(=O)[C@H](C)C#N)CC1 1131339850 SWUOXNGXVLJACC-CQSZACIVSA-N 322.409 -0.001 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2cnnn2C)CC[C@@H]1C 1132003457 VSBYNONUGHCKNA-RYUDHWBXSA-N 318.381 -0.853 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@H](CC(=C)C)NC(C)=O 1134821283 MXJMVTNWSHBWPL-OCCSQVGLSA-N 324.425 -0.146 30 20 DBED C=CCn1cc(C(=O)NCCNC[C@H](O)Cn2cccn2)nn1 1134973267 KOGAVZLBDJGNDO-LBPRGKRZSA-N 319.369 -0.959 30 20 DBED C=CCN[C@@H](C)C[C@@H](C)NC(=O)CN1CCS(=O)(=O)CC1 1146313301 FYLICTWZANDBSL-QWHCGFSZSA-N 317.455 -0.224 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)C[C@H](C)N1CCCC1=O 1147614657 GZRFZRCDECKDIF-QWHCGFSZSA-N 322.409 -0.769 30 20 DBED C=C(Cl)CNCCNC(=O)CN1C(=O)NC(C)(C)C1=O 1149916024 WZVIHKIWRDWVTI-UHFFFAOYSA-N 302.762 -0.225 30 20 DBED C=CCO[C@@H](C)C(=O)NCCNCCN1CCCS1(=O)=O 1153135713 ZHQABEBIANYTCC-LBPRGKRZSA-N 319.427 -0.681 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)CNC(=O)C(CC)CC 1153946500 ZVDUILVJLULLAH-GFCCVEGCSA-N 324.425 -0.618 30 20 DBED CN(CC(=O)NCC#N)C[C@H]1CCCCN1C(=O)c1cnn[nH]1 1158171736 GHLOIOIKFUWBSD-LLVKDONJSA-N 319.369 -0.629 30 20 DBED CNC(=O)NCC(=O)NCCC1(CNCC#CCOC)CC1 1165348712 JJCKHQYVINHHFC-UHFFFAOYSA-N 310.398 -0.559 30 20 DBED N#CCNC(=O)CNCCCNC(=O)c1cnc(C2CC2)nc1 1167718317 QJQXTGOAHMOYFS-UHFFFAOYSA-N 316.365 -0.297 30 20 DBED C=CCOCCNCCCNC(=O)CN1C(=O)CN(C)C1=O 1175558344 ZHYBOEPPWYXEOB-UHFFFAOYSA-N 312.370 -0.821 30 20 DBED C=CCCNCCCCCCNC(=O)CNS(=O)(=O)NC 1179139276 KHKKKGXSYFTGGP-UHFFFAOYSA-N 320.459 -0.118 30 20 DBED C=C(C)CCN[C@H]1CCN(C(=O)CN2CCNC(=O)C2)[C@H]1C 1179294933 JCUYPBSVNLLQQB-KBPBESRZSA-N 308.426 -0.037 30 20 DBED CCS(=O)(=O)CC(=O)N1CC[C@H](NCC#CCOC)[C@@H]1C 1180222985 XZENIJJTPYCMEE-STQMWFEESA-N 316.423 -0.350 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)CCc2ccn(C)n2)C1 1182919069 YCCZOPJNHXPVTB-CQSZACIVSA-N 319.409 -0.155 30 20 DBED C[C@H]1CN(C(=O)c2nc[nH]n2)CC[C@H]1CNCC(=O)NCC#N 1185358420 HBCMPQZIFOAROU-QWRGUYRKSA-N 319.369 -0.868 30 20 DBED CCN(CC)S(=O)(=O)CC(=O)N1CC[C@@H](NCC#N)C1 1186019189 NELAGVUYFKIXIY-LLVKDONJSA-N 302.400 -0.628 30 20 DBED N#CCN[C@H]1CCCO[C@@H]1C1CCN(C(=O)CNC(N)=O)CC1 1186114030 JFDCYJOGPORNJD-GXTWGEPZSA-N 323.397 -0.446 30 20 DBED N#CCNC(=O)CN1C[C@@H]2CCN(C(=O)[C@@H]3CCCOC3)[C@@H]2C1 1187199498 NXYYKVLEVKWCCW-BFHYXJOUSA-N 320.393 -0.415 30 20 DBED C=CCNC(=O)CN1C[C@@H]2CCN(C(=O)Cn3nccn3)[C@@H]2C1 1188051820 VDKJOGOEPSSQRQ-QWHCGFSZSA-N 318.381 -0.887 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CCCCN2CC)C1 1188139269 KBPZQHFSPKKNAW-HUUCEWRRSA-N 320.437 -0.199 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2snnc2C)C[C@H]1O 1192885977 IQMWMYJISMVGGM-VXGBXAGGSA-N 324.406 -0.452 30 20 DBED C#CCN(C)[C@H]1CCN(C(=O)CNC(=O)c2ccccn2)C1 1194218402 RBAQPETWCLHBQE-ZDUSSCGKSA-N 300.362 -0.023 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)COc2c(C)occc2=O)C1 1194593524 IPVFOYJGYBWFOO-TZMCWYRMSA-N 320.345 -0.488 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CCN(C(=O)[C@@H]2CCN(C)C2)CC1 1203699357 IQHAHSMDJBSETM-ZIAGYGMSSA-N 320.437 -0.343 30 20 DBED C=CCCNC1CCN(C(=O)c2cn(CC(N)=O)nn2)CC1 1203903119 MJVRZRPXSJWXLP-UHFFFAOYSA-N 306.370 -0.466 30 20 DBED COCC#CCN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)Cn1cncn1)C2 1204947845 HTXUJADODRSTMG-RBSFLKMASA-N 317.393 -0.103 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2c(C)cnn2C)[C@H](C)C1 1208350592 MWUDJMIEHKUHJD-CHWSQXEVSA-N 317.393 -0.472 30 20 DBED C=CCNC(=O)[C@H](C)N[C@H]1CCCN(C(=O)c2nnn(C)n2)C1 1209062595 XNFJWDCOAKVJRE-QWRGUYRKSA-N 321.385 -0.905 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)[C@H]2CC2(C)C)[C@H](OC)C1 1212127688 VPXMBGOBSQLLMR-JHJVBQTASA-N 307.394 -0.403 30 20 DBED C=CCCC(=O)N1CCO[C@@H]2CN(CCS(C)(=O)=O)C[C@@H]21 1217475881 KSAGHKJPEKEGLT-QWHCGFSZSA-N 316.423 -0.091 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)C[C@@H](C)OC 1217481926 VDULVVAHLQHZRU-HZSPNIEDSA-N 323.393 -0.928 30 20 DBED CC(C)Cn1ncnc1CN1C[C@H](O)[C@H](NC(=O)[C@H](C)C#N)C1 1219378817 GHGOCDGGOOJHNC-UPJWGTAASA-N 320.397 -0.245 30 20 DBED C=CCCC1(C(=O)N[C@@H]2CN(CC(=O)NC(N)=O)C[C@@H]2O)CC1 1220282644 NGTJXYDIQDJDGK-MNOVXSKESA-N 324.381 -0.911 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)c2nonc2C)C1 1222104364 HUTRIDRSRBJRIF-LLVKDONJSA-N 307.354 -0.126 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)c2ccc(O)nn2)CC1 1225897916 ZXRCZKOIYFBWME-UHFFFAOYSA-N 319.365 -0.321 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NC1CCN(CC(=O)NC)CC1 1229485984 LUHRMPRFHDVUNT-AWEZNQCLSA-N 324.425 -0.216 30 20 DBED CC#CCN1CCS(=O)(=O)[C@@H](CCNC(=O)CCOC)C1 1230404565 RAXCEYDDBCRMIF-ZDUSSCGKSA-N 316.423 -0.349 30 20 DBED C#CCOCCC(=O)N(C)C[C@@H]1CCN1[C@@H]1CCC(=O)NC1=O 1234246855 UAVPPIUNULAIOF-QWHCGFSZSA-N 321.377 -0.636 30 20 DBED C[C@H](O)CN(C(=O)C(=O)NCc1ccc(C#N)cc1)[C@H](C)CO 1257773781 CSFBULFXSIQLCQ-NEPJUHHUSA-N 319.361 -0.235 30 20 DBED CN(C)CCN(C)C(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1261861281 STWZSOZDMJTWJD-CYBMUJFWSA-N 307.398 -0.795 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)c2ncoc2C)CC1 1261914316 ARMHKCGYHHWUAR-UHFFFAOYSA-N 312.351 -0.792 30 20 DBED C#CC1(O)CN(C(=O)Cc2ccc(S(=O)(=O)CCO)cc2)C1 1262349909 DGVKQOAMNHXWOO-UHFFFAOYSA-N 323.370 -0.798 30 20 DBED C#CCCCC(=O)N[C@H]1CCN(CC(=O)NC(=O)NC2CC2)C1 1265282802 YNLMROKDHOCPTF-ZDUSSCGKSA-N 320.393 -0.031 30 20 DBED C[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccn(CCC#N)n1 1321646063 VOVDNUKGQSQVGI-VIFPVBQESA-N 304.310 -0.918 30 20 DBED C=CCCN(C)C(=O)C(=O)NCCOCCS(C)(=O)=O 1323447959 SHAJLZGTIWWRLR-UHFFFAOYSA-N 306.384 -0.802 30 20 DBED Cn1ccc(CNC(=O)C(=O)NC2CCN(CC#N)CC2)c1 1323511552 QTHQDDRFRSFRQO-UHFFFAOYSA-N 303.366 -0.255 30 20 DBED C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)cn1)[C@H]1CN(C)CCO1 1324503597 WVYVLUYBLMVHQH-ZYHUDNBSSA-N 317.349 -0.273 30 20 DBED C[C@H](NC(=O)C(=O)N1CC[C@](O)(CC#N)C1)c1csnn1 1326167117 IBDQFWRHDLWGRT-QPUJVOFHSA-N 309.351 -0.408 30 20 DBED C=CCN(C(=O)C(=O)N(C)C[C@@H]1COCCO1)[C@@H](C)COC 1330464374 YYCMKNIGFWDGBP-QWHCGFSZSA-N 314.382 -0.090 30 20 DBED C#C[C@@H](NC(=O)C(=O)N1CC(N2CCCC2=O)C1)[C@H]1CCCO1 1333513969 RTHYUWNMYTZHER-CHWSQXEVSA-N 319.361 -0.883 30 20 DBED C#Cc1ccc(C(=O)NN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C=C[C@H]3O2)nc1 1336035066 RFZXJZYLGQYNGS-FDYHWXHSSA-N 309.281 -0.354 30 20 DBED CN(CCCCCO)C(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1351907783 RGBNDUQCAAPUBZ-AWEZNQCLSA-N 322.409 -0.194 30 20 DBED C[C@@H](C(=O)NCc1nnc2n1CCCC2)n1cnc(C#N)n1 1362056863 BEOFTHVDCIHMAH-VIFPVBQESA-N 300.326 -0.045 30 20 DBED CC(C)[C@@H](CN(C)C)NC(=O)Cn1cc(C#N)c(O)nc1=O 1362640970 RYNOGANBQQWRCY-LLVKDONJSA-N 307.354 -0.477 30 20 DBED CCCNC(=O)[C@H]1CCCN(c2[nH]c(=O)n(C)c(=O)c2C#N)C1 1363729729 KFWYMKJCENENAH-JTQLQIEISA-N 319.365 -0.312 30 20 DBED N#Cc1ccc(CNC(=O)Cn2nc(C(N)=O)ccc2=O)cc1 1364281645 INUOOJATUNMKER-UHFFFAOYSA-N 311.301 -0.470 30 20 DBED CCC(=O)NCC(=O)NC[C@H](C)N(C)C(=O)c1cc(C#N)c[nH]1 1369807171 WTCBJWBYXZXHER-JTQLQIEISA-N 319.365 -0.011 30 20 DBED CC(=O)N1CCC(C(=O)NCCN(C)C(=O)[C@@H](C)C#N)CC1 1373435439 LMGYVAYYTFXQIQ-NSHDSACASA-N 308.382 -0.021 30 20 DBED CCN(CCC#N)C(=O)CN1CC(NC(=O)C[C@H]2CCOC2)C1 1373453657 NVKOIICXVKSIKT-CYBMUJFWSA-N 322.409 -0.024 30 20 DBED C[C@H](C#N)C(=O)NCC(C)(C)CN(C)C(=O)C1(NC(N)=O)CC1 1380537638 AOAIJBVKYOYHLH-SNVBAGLBSA-N 323.397 -0.052 30 20 DBED C[C@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)[C@@H]1CC(=O)N(C)C1 1386713584 KQCLQJMQUFAYSG-MWLCHTKSSA-N 317.349 -0.401 30 20 DBED COC(=O)NCC(=O)N1CC2(CCCN(C(=O)[C@@H](C)C#N)C2)C1 1404783281 VQUKBEHGNGRTDF-NSHDSACASA-N 322.365 -0.047 30 20 DBED CN1C[C@@H]2CCCN(C(=O)Cn3cc(C#N)c(O)nc3=O)[C@@H]2C1 1412257084 DXLRMLTVCSOSHN-CMPLNLGQSA-N 317.349 -0.627 30 20 DBED CC[C@@H](C)C[C@H](CO)NC(=O)Cn1cc(C#N)c(O)nc1=O 1412275758 FRTWIDZUUCYDEG-MWLCHTKSSA-N 308.338 -0.266 30 20 DBED CC[C@@H](C#N)C(=O)NC1(C(=O)OC)CCS(=O)(=O)CC1 1417725910 NUICONJUIJACFR-VIFPVBQESA-N 302.352 -0.227 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1C[C@H](NC[C@H](O)Cn2cccn2)C1 1417781776 NPDWPMGRUSSFPB-SYQHCUMBSA-N 305.382 -0.112 30 20 DBED C=C(Br)CN1CC[C@@H]1CNC(=O)Cn1ncnn1 1420840880 ZOAIVZPNGYMQTP-SECBINFHSA-N 315.175 -0.228 30 20 DBED N#Cc1cn(CC(=O)N2CC[C@H]([C@@H]3CCOC3)C2)c(=O)nc1O 1433833771 UCGBFWYGJHEPIT-WDEREUQCSA-N 318.333 -0.294 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@@H](CNC(=O)[C@H]2CCC(=O)NC2)C1 1445921335 PJRMZFHYRIXDPE-WYUUTHIRSA-N 306.366 -0.317 30 20 DBED N#Cc1c[nH]c(C(=O)N2CCN(C(=O)CCCC(N)=O)CC2)c1 1446449396 XZVGPPCRCJGUBS-UHFFFAOYSA-N 317.349 -0.174 30 20 DBED Cn1c(=O)[nH]c(N2CCC(NC(=O)C3CC3)CC2)c(C#N)c1=O 1458329023 DCWONDZEVFQLEO-UHFFFAOYSA-N 317.349 -0.560 30 20 DBED Cn1cc(C[C@H](CO)NS(=O)(=O)c2ccc(C#N)o2)cn1 1463923064 XEAIDCXAVDTPCG-SNVBAGLBSA-N 310.335 -0.233 30 20 DBED C=C(Cl)CNC[C@H](C)CNC(=O)Cn1ncn(C)c1=O 1495693344 BQAWYBQVTSQEOH-VIFPVBQESA-N 301.778 -0.324 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)CCc2nccs2)C1 1512956771 WEMRQZSAFYKTSY-HBNTYKKESA-N 322.390 -0.077 30 20 DBED COc1ncccc1C(=O)N[C@@H]1CCN(CC(=O)NCC#N)C1 1566672900 UHBSFJDNZDMMMR-LLVKDONJSA-N 317.349 -0.466 30 20 DBED C=C1CC(C)(C(=O)NCC2(O)CN(C(=O)CNC(=O)O)C2)C1 1573344348 UQSBUIIOKSWXGB-UHFFFAOYSA-N 311.338 -0.700 30 20 DBED C[C@H](C#N)C(=O)NCC1(N=c2cc[nH]c(-c3nn[nH]n3)n2)CC1 1573575925 BVIZHPMSBNPNAJ-MRVPVSSYSA-N 313.325 -0.701 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CCN(c2cnc(-c3nn[nH]n3)cn2)C1 1573586594 RKDBNQZMLJTQMR-BDAKNGLRSA-N 313.325 -0.489 30 20 DBED C[C@@H](C(=O)Nc1nn(C)cc1-c1nn[nH]n1)n1cnc(C#N)n1 1573754028 BCWVEXLMSUIGNU-LURJTMIESA-N 313.285 -0.737 30 20 DBED Cc1cc(C#N)cnc1C(=O)N[C@H]1CN(C(=O)O)C[C@@H]1CO 1574128030 RYSHQZCGGHEYIQ-MNOVXSKESA-N 304.306 -0.038 30 20 DBED C#CC[C@]1(C(=O)N[C@H](CO)[C@H](O)c2ccccn2)CCCN1 1574517913 RRAAZHUTPVDPDN-IIAWOOMASA-N 303.362 -0.262 30 20 DBED CC(C)C#CC(=O)NC[C@@H](C)NC(=O)CCOCc1cnn[nH]1 1575318733 PTPUEINKDNQOBF-GFCCVEGCSA-N 321.381 -0.008 30 20 DBED COCCOC(=O)N(C)Cn1c(N)nc(-c2nn[nH]n2)c1C#N 1579816615 AWPAMSOXENIUNW-UHFFFAOYSA-N 321.301 -0.811 30 20 DBED C#CC[C@H](NC(=O)CN(C)C(=O)[C@H](C)n1cccn1)C(=O)O 1588406116 YBKXLWFHEMHTBB-QWRGUYRKSA-N 306.322 -0.505 30 20 DBED C[C@@H](C(=O)N[C@]1(CC(=O)O)CCCOC1)n1cnc(C#N)n1 1589391707 QZTRDLBEGQNAAO-ZANVPECISA-N 307.310 -0.149 30 20 DBED C#CCN(CC(=O)O)C(=O)[C@H]1CC[C@H](C(F)(F)F)NC1=O 1602682564 QDZRLKLUXPUJBD-JGVFFNPUSA-N 306.240 -0.010 30 20 DBED C#CC[C@H](COC)NC(=O)C(=O)N[C@@H]1C[C@@H]2C[C@@H](C(=O)O)C[C@@H]21 1602682740 DXFDPFLBNPNONW-CKIKVBCHSA-N 322.361 -0.244 30 20 DBED C#C[C@](C)(CC)NC(=O)Cn1cc(-c2nn[nH]n2)c(O)nc1=O 1602689410 FVPRTDBGHDFLEI-CYBMUJFWSA-N 317.309 -0.953 30 20 DBED C#CC[C@@H](CO)NS(=O)(=O)c1cccc(C)c1-c1nn[nH]n1 1602698046 YANRCQIFCFOTKF-JTQLQIEISA-N 321.362 -0.162 30 20 DBED C[C@@](CO)(NS(=O)(=O)c1ccc(F)cc1C#N)C(=O)O 1604198754 LUUYOLHJKQBMQT-NSHDSACASA-N 302.283 -0.189 30 20 DBED Cc1cc(C#N)c(O)nc1C(=O)NC1(C(=O)O)CC(CO)C1 1607564911 YFEIZDKAKFEDMK-UHFFFAOYSA-N 305.290 -0.077 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CCO[C@@H](CC(=O)O)C1 1609266941 GSKWWDVFPVUIMY-ZJUUUORDSA-N 300.311 -0.994 30 20 DBED C#CCNC[C@H]1CCCN1C(=O)c1ccc(S(N)(=O)=O)o1 1666434813 JDKPVVFOJUEBMD-SNVBAGLBSA-N 311.363 -0.246 30 20 DBED COc1cc(C(=O)NCCCN(C)CC(=O)NCC#N)ccn1 1752009381 QDLGTQDGQQUNSX-UHFFFAOYSA-N 319.365 -0.218 30 20 DBED C#CCNC(=O)CN[C@H](CNC(=O)Cn1cncc1C)C1CC1 1752473105 IXXSHZJLRJWWDN-CQSZACIVSA-N 317.393 -0.575 30 20 DBED COCC#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CCC(=O)N1 1752531241 CNHBQGOLHVVHTL-HZSPNIEDSA-N 305.378 -0.410 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](CN(C)Cc2nnn(C)n2)C1 1753349594 RXMKWMVXRNAARE-ZDUSSCGKSA-N 320.397 -0.470 30 20 DBED Cc1cnn(CC(=O)N(C)[C@@H]2CCN(CC(=O)NCC#N)C2)c1 1753429108 AOKAHFAJDDNIET-CYBMUJFWSA-N 318.381 -0.636 30 20 DBED C#CCNC(=O)CNC[C@@H](C)N(C)C(=O)c1ccn(CC)n1 1753725464 FRDDHXUJYJVGKN-GFCCVEGCSA-N 305.382 -0.298 30 20 DBED C=C(C)CNC[C@@H](O)CNC(=O)c1ccc(S(N)(=O)=O)o1 1753917687 NACWAMCMDGGVNY-SECBINFHSA-N 317.367 -0.817 30 20 DBED C=CCNC(=O)CN1CC(N(C)C(=O)c2nccnc2N)C1 1754572292 ZBJSFNLETHJJMU-UHFFFAOYSA-N 304.354 -0.883 30 20 DBED C=C(C)CN1CC[C@](O)(CNC(=O)[C@H]2CCCS2(=O)=O)C1 1754762355 OBZZADLADLNBMJ-OCCSQVGLSA-N 316.423 -0.307 30 20 DBED C=CCOCCN1CC(O)(CNC(=O)Cc2n[nH]c(C)n2)C1 1754767346 KNUWSXRKKXKLKE-UHFFFAOYSA-N 309.370 -0.979 30 20 DBED CC#CCNC[C@H]1CN(C(=O)CN(C)S(C)(=O)=O)C[C@H]1C 1754819741 XEIUXPRYEOZUGN-OLZOCXBDSA-N 315.439 -0.415 30 20 DBED CC#CCCCC(=O)N1C[C@@H]2CN(CC(=O)NC(N)=O)C[C@@H]2C1 1754843616 JQHLKKAEXADRDQ-BETUJISGSA-N 320.393 -0.235 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)C(C)(C)C=C)CCO1 1755006544 BFOWOGPIGJPCJO-CYBMUJFWSA-N 307.394 -0.235 30 20 DBED N#CCN1CCN(CCCCCNC(=O)[C@@H]2CNC(=O)N2)CC1 1755175281 NSRSURBIWVGOGK-ZDUSSCGKSA-N 322.413 -0.905 30 20 DBED C#CCNC(=O)CN(C)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 1755302653 FAJNEMWROLEWHH-JHJVBQTASA-N 317.393 -0.301 30 20 DBED COCC#CCN(C)[C@@H](C)CNC(=O)[C@H](C)NS(C)(=O)=O 1755319729 SNMUCXYKNLEHCP-RYUDHWBXSA-N 319.427 -0.990 30 20 DBED C=CCCN1CC([C@@H](C)NC(=O)Cn2ccc(=O)n(C)c2=O)C1 1755379105 MGIORSQCNOQSEX-GFCCVEGCSA-N 320.393 -0.440 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](CNC(=O)C#CC(C)C)[C@H]2C1 1755419333 DSTHPAKDCXNSPK-QKDCVEJESA-N 301.390 -0.311 30 20 DBED C=C(C)CNC[C@H](C1CC1)N(C)C(=O)CN1C(=O)CNC1=O 1755571799 NORFXDZNFPDGLD-GFCCVEGCSA-N 308.382 -0.059 30 20 DBED C=C(C)CN[C@H](CO)CNC(=O)c1cnc2ccccn2c1=O 1755643026 NOSFNEGATNYZFF-LBPRGKRZSA-N 316.361 -0.049 30 20 DBED CNC(=O)CC(=O)N1C[C@H]2C(CNC(=O)C#CC3CC3)[C@@H]2C1 1756197924 NHYDBDCNLBBSEO-STQMWFEESA-N 303.362 -0.644 30 20 DBED C=CCCC(=O)N[C@@H](C)CN(C)C(=O)Cn1nc(C)n(C)c1=O 1756484811 NAJAHNTZBOLTOP-NSHDSACASA-N 323.397 -0.180 30 20 DBED C=C[C@@](C)(O)CC(=O)N(C)C[C@H](O)CNC(=O)Cc1ncc[nH]1 1756661303 WMQSQPHKJWMUEL-IAQYHMDHSA-N 324.381 -0.785 30 20 DBED C=C(C)CCC(=O)N[C@@H]1CN(C(=O)Cc2cnc[nH]2)C[C@@H]1O 1757179090 DNFJYRZNLPCYQL-OLZOCXBDSA-N 306.366 -0.004 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)CC(N)=O 1757259159 ZTFVZGMWOCRLJQ-IJLUTSLNSA-N 309.366 -0.556 30 20 DBED COc1cc(C=Nn2cnn(C)c2=O)ccc1OCC(=O)O 1776113083 WHRJSVOCOSXHKG-UHFFFAOYSA-N 306.278 -0.064 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)CCn1cncn1)CCO2 1783053702 OOVLIPFIEAXNKJ-HNNXBMFYSA-N 317.349 -0.869 30 20 DBED CCS(=O)(=O)NCCNC(=O)COc1ccc(C#N)cc1 24788202 HCNKSHMHHGDLMT-UHFFFAOYSA-N 311.363 -0.007 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)CCN2CCCC2=O)CC1 68097302 ZSGHOGQVPJHQPG-UHFFFAOYSA-N 322.409 -0.555 30 20 DBED Cc1c(C#N)cccc1NC(=O)C(=O)N1CCN(CCO)CC1 186289722 ZPKFOWSYKALOCP-UHFFFAOYSA-N 316.361 -0.058 30 20 DBED Cn1c(NCCO[C@H]2CCCCO2)c(C#N)c(=O)n(C)c1=O 292740000 VBWXVBYIRGSFIM-NSHDSACASA-N 308.338 -0.089 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(CCCC)CC(N)=O)C1=O 299711697 UBVFKZATVVQOIP-UHFFFAOYSA-N 324.337 -0.923 30 20 DBED C/N=C(/O)NC1CN(/C(O)=N/[C@H](C)CN2CCN(C)CC2)C1 328694461 KAIZOIRUMHIQHG-LLVKDONJSA-N 312.418 -0.646 30 20 DBED CC(C)N1CC[C@H](/N=C(/O)CN2CCCS2(=O)=O)C1=O 329717252 XJKCGCUVUVGQJE-JTQLQIEISA-N 303.384 -0.012 30 20 DBED CN1CCO[C@H](C/N=C(/O)N2CCc3nn(C)c(=O)cc3C2)C1 329779514 QZVGBKZGEJXEBN-GFCCVEGCSA-N 321.381 -0.617 30 20 DBED CS(=O)(=O)N1CCC[C@@H]1C/N=C(/O)[C@@H]1CC[C@@H](C(=O)O)O1 329871565 AUWTVSCHVYDACX-UTLUCORTSA-N 320.367 -0.001 30 20 DBED CN1C[C@@H](/N=C(/O)N2CCN(c3cnccn3)CC2)CC1=O 330123834 HSMKRMAJAWKASA-NSHDSACASA-N 304.354 -0.257 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N[C@H](C)CN1CCCC1=O 330371182 HZCPZQDKPFIRAX-GHMZBOCLSA-N 302.400 -0.077 30 20 DBED COCCN1CCN(/C(O)=N/CC(=O)N2CCOCC2)CC1 330678523 MAHSVWXIKFBIMT-UHFFFAOYSA-N 314.386 -0.977 30 20 DBED CCC(CC)(CO)CNS(=O)(=O)N1CCO[C@H](C#N)C1 336884559 IEIMOMASQVVTOS-LLVKDONJSA-N 305.400 -0.156 30 20 DBED COC(=O)C[C@@]1(NS(=O)(=O)N(C)C[C@H](C)C#N)CCOC1 336934331 DRVBCKDTBNECPF-PWSUYJOCSA-N 319.383 -0.366 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)NCC1(O)CCOCC1 336943996 LYLCBXWIENSXNI-NSHDSACASA-N 305.400 -0.156 30 20 DBED C=CC[C@H](CO)CNC(=O)C(=O)Nc1ccn(CC(F)F)n1 341430406 IBPGPUGBRPGVFW-VIFPVBQESA-N 316.308 0.388 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCO[C@@H](C(C)C)C2)C1=O 351556599 FWUFRYLOKAVBBX-LLVKDONJSA-N 323.349 -0.153 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC[C@@H](C)COC)C1=O 355042904 GMAMOOQDFZSLBQ-NEPJUHHUSA-N 311.382 -0.370 30 20 DBED C=CC[C@@H](CO)CNS(=O)(=O)CCCN1CCOCC1 361816617 VIZYFEJIPIMRQP-CYBMUJFWSA-N 306.428 -0.187 30 20 DBED C=CCNC(=O)CNC(=O)C(=O)Nc1cnc(C(C)C)nc1 361903865 BJNLTGBWOVDHNB-UHFFFAOYSA-N 305.338 -0.043 30 20 DBED C=CCCCC(=O)N1CC(S(=O)(=O)N2CCNCC2)C1 424046427 VSGJLZDMOZGUMH-UHFFFAOYSA-N 301.412 -0.212 30 20 DBED C=CC[C@@H](CC)NC(=O)C(=O)Nc1ncn(CC(=O)OCC)n1 425780118 ZTVYPYNYMOYVBG-SNVBAGLBSA-N 323.353 0.251 30 20 DBED C=CCC[C@H](NC(=O)CN1C(=O)CN(C)C1=O)C(=O)OCC 456619072 BEIRQGAFSZLNJJ-JTQLQIEISA-N 311.338 -0.106 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@@H](O)c2cccnc2)CC1 491126611 QKLBUUQOBAQUPB-HNNXBMFYSA-N 316.361 -0.991 30 20 DBED C#C[C@@H](C)N(C)C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 491542955 DMOXTCCKHNPAJD-SECBINFHSA-N 300.318 -0.274 30 20 DBED C#CCNC(=O)CCNCc1ccc(S(N)(=O)=O)s1 491637484 WEXDTWHHGDSBKV-UHFFFAOYSA-N 301.393 -0.375 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@H](C)N2CC(C)C2)CC1 516086970 XSENPOBELAAQIW-AWEZNQCLSA-N 308.426 -0.227 30 20 DBED N#Cc1cc(F)ccc1S(=O)(=O)N[C@@H](CC(N)=O)C(=O)O 547872190 RUKCAHNXFZXYOY-QMMMGPOBSA-N 315.282 -0.696 30 20 DBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1cncc(OC)n1 571646398 BTPWEJFYISVQSE-GWCFXTLKSA-N 320.349 0.521 30 20 DBED C[C@@H]1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)C[C@@H]1CO 598624123 DYBDESIZFHFENH-IJLUTSLNSA-N 303.384 -0.594 30 20 DBED Cn1c(=O)c2c(ncn2C[C@@H](O)CC(C)(C)C#N)n(C)c1=O 598699717 ICKSMXJBPMRMBA-VIFPVBQESA-N 305.338 -0.266 30 20 DBED N#Cc1ccc(OCC(=O)N(CCO)CCOCCO)cc1 600123123 HKLQQWBMNACWDH-UHFFFAOYSA-N 308.334 -0.233 30 20 DBED CC#CC[C@H](CO)NC(=O)Cn1c(=O)nc(O)c2ccccc21 649239124 WUCLWXWXBNGOLB-LLVKDONJSA-N 315.329 -0.007 30 20 DBED C#CCN(C1CCNCC1)S(=O)(=O)CCCC(=O)OC 710139497 SOCPWXWVQHEHJC-UHFFFAOYSA-N 302.396 -0.043 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCN(CC(=O)NC2CC2)CC1 730095663 FBLLWGPVWVBIHA-HNNXBMFYSA-N 318.421 -0.493 30 20 DBED C=CCNC(=O)Cn1nc(CC)c(CC)c(-c2nn[nH]n2)c1=O 735432550 QBTUEEMGYDSDIL-UHFFFAOYSA-N 317.353 -0.150 30 20 DBED N#CCN(CC(=O)O)C(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O 739077139 IUQUREATPLRQMM-NXEZZACHSA-N 307.306 -0.402 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)[C@H](NC(=O)C(C)(C)C)[C@@H](C)O 745697900 BVIRZICABGJXMH-OUAUKWLOSA-N 312.366 -0.421 30 20 DBED CNC(=O)CNC(=S)NN=Cc1ccc2c(c1)NC(=O)CO2 788715772 SORUTHAFKKDJMD-UHFFFAOYSA-N 321.362 -0.439 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)c2n[nH]cc2C)CC1 799612825 DGATUCVMFJWOLS-UHFFFAOYSA-N 303.366 -0.385 30 20 DBED COC(=O)[C@H](C)[C@H](C)S(=O)(=O)NC(=O)CSCC#N 802156889 BPLRTIBSXDJKQH-SFYZADRCSA-N 308.381 -0.113 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)NCCCc1cnn(C)n1 815053767 RKLITKOPMAJXQY-JTQLQIEISA-N 300.388 -0.184 30 20 DBED C=C(C)C(C)(C)C(=O)OCC(=O)c1c(N)n(C)c(=O)n(C)c1=O 821444693 NKNLHDVRCPRXFM-UHFFFAOYSA-N 323.349 -0.006 30 20 DBED Oc1nc(=NN=Cc2ccc(-c3nn[nH]n3)o2)nc2[nH][nH]cc1-2 823657471 PMURPCRSZCQMEU-UHFFFAOYSA-N 312.253 -0.349 30 20 DBED C=CCS(=O)(=O)CCNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 823931594 AEXZGFSKXMRXDS-UHFFFAOYSA-N 310.339 -0.475 30 20 DBED COCCNC(=O)[C@@H](C#N)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 826160206 ITCCBUJGBPINQT-QMMMGPOBSA-N 303.282 -0.720 30 20 DBED N#CCCN1CCN(C(=O)CCN2C(=O)CCNC2=S)CC1 827479360 PCVCIXHNWLWIAO-UHFFFAOYSA-N 323.422 -0.459 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N[C@@H](C#C)[C@H]1CCCO1 829213980 DMJJYSVDRBYSRV-UONOGXRCSA-N 306.362 -0.218 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)c2ccncc2C)CC1 831569149 ZERNJRBKJSWHCZ-UHFFFAOYSA-N 322.390 -0.385 30 20 DBED C#CCN1CCN(C(=O)COc2cccnc2C(=O)O)CC1 833364060 DJGIDEBIHQNHQK-UHFFFAOYSA-N 303.318 -0.064 30 20 DBED C=C(C)CONC(=O)N1CCCN(C(=O)CNC(C)=O)CC1 875699067 GMAZVQDCFQSEJU-UHFFFAOYSA-N 312.370 -0.126 30 20 DBED C=C[C@@](C)(O)Cc1nc(CCN2CCN(CC)C(=O)C2=O)no1 896174587 HODXPROGMYRKHH-OAHLLOKOSA-N 322.365 -0.218 30 20 DBED N#Cc1cc(F)c(C(=O)NC[C@@]2(CO)COCCN2)c(F)c1 913186537 JFDLRCFLIYDMSR-CQSZACIVSA-N 311.288 -0.083 30 20 DBED C#Cc1cncc(C(=O)N2CC[C@@H](NC(=O)c3cnnn3C)C2)c1 940229341 BYTOSSZDBMMWFZ-CYBMUJFWSA-N 324.344 -0.164 30 20 DBED CO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1NC(=O)c1ccn(C)n1 941856391 SNCYDXJBYTXQRX-YUSALJHKSA-N 305.338 -0.465 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H]2CCC[C@H]2NC(=O)C(N)=O)c1 946294852 TVNLIUQJHPCXHU-NXEZZACHSA-N 303.322 -0.614 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(NC(=O)[C@H]2CCCC(=O)N2)CC1 948098751 KUZNGGUEOIWFPL-CMPLNLGQSA-N 306.366 -0.078 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]1CNC(=O)c1cccc(C(N)=O)n1 950650518 GGBNPWIIPIVAFB-VHSXEESVSA-N 315.333 -0.329 30 20 DBED C=C1CC(C)(C(=O)N2CC[C@H]2CNC(=O)[C@@H]2CNC(=O)N2)C1 951879596 ZFZCJRXISALPLZ-QWRGUYRKSA-N 306.366 -0.259 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCC1CCN(C(=O)CC(N)=O)CC1 952484086 XNNNEBFFFDISIG-OLZOCXBDSA-N 323.393 -0.192 30 20 DBED COCCn1ncc(C(=O)NC[C@H]2CN(CC#N)C[C@@H]2O)c1C 958068156 FCIQTCKFGAAOKQ-JSGCOSHPSA-N 321.381 -0.616 30 20 DBED N#CCN1C[C@@H](O)[C@@H](CNC(=O)c2ccc3nc[nH]c3n2)C1 958161601 LGKTUERLZCANEM-JOYOIKCWSA-N 300.322 -0.496 30 20 DBED C=CCCN1C[C@@H](O)[C@H](CNC(=O)c2cc(=O)c(OC)c[nH]2)C1 958262038 FQBPJJHSISWLLW-BXUZGUMPSA-N 321.377 -0.018 30 20 DBED N#CCN1C[C@H](CNC(=O)c2cc(C(F)(F)F)n[nH]2)[C@@H](O)C1 958486132 WRVIIOPDLWDFSS-CBAPKCEASA-N 317.271 -0.025 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)c1cnccn1 964065421 INBYDHZDNKXSKD-QWRGUYRKSA-N 303.322 -0.407 30 20 DBED C=C1CC(C)(C(=O)N2C[C@H](C)[C@H](NC(=O)Cn3cnnn3)C2)C1 966795785 RVLGUKUWGHDTAQ-NWDGAFQWSA-N 318.381 -0.008 30 20 DBED C=CCN1CC[C@H](C)[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C1 968680770 DHDMDPLLUISFNV-QWRGUYRKSA-N 306.370 -0.610 30 20 DBED C=CCN[C@@H]1CCN(C(=O)c2ccc(=O)n(CCOC)n2)C1 969258217 PEELGHTWSDOWCF-GFCCVEGCSA-N 306.366 -0.120 30 20 DBED C[C@@H](NC(=O)c1cc(C#N)c[nH]1)C1CN(Cc2nnnn2C)C1 969463169 KPXOBJKKVHBFNX-SECBINFHSA-N 314.353 -0.340 30 20 DBED C[C@@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)Cn1cnnn1)C2 969808308 YTWAZRMBYYYYIM-DCAQKATOSA-N 303.326 -0.965 30 20 DBED C=CCN1CC[C@H](N[C@@H]2CCN(C(=O)[C@@H]3CCC(=O)N3)C2)C1=O 970524362 MWAOFPUWTDJGJN-AGIUHOORSA-N 320.393 -0.758 30 20 DBED C=C(Cl)CN[C@@H]1CCN(C(=O)CC[C@H]2NC(=O)NC2=O)C1 970671134 ROMWECYPHYIIQQ-NXEZZACHSA-N 314.773 -0.082 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)C(N)=O)c[nH]1 976555052 CIFSRPYXHMBGMM-GHMZBOCLSA-N 303.322 -0.471 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2COCCO2)C1 990298838 MTFKFSXHFGQCEY-FRRDWIJNSA-N 310.350 -0.680 30 20 DBED N#Cc1c[nH]c(C(=O)NC2CN(C(=O)CN3CCOCC3)C2)c1 990696925 XIFVYJRJNOZIMX-UHFFFAOYSA-N 317.349 -0.841 30 20 DBED C#CCN1CC[C@]2(NC(=O)CN3CCC(=O)NC3=O)CCC[C@@H]12 992429515 OEQMJSVGIWMDEQ-MLGOLLRUSA-N 318.377 -0.325 30 20 DBED C#CCN1CC[C@@]2(NC(=O)Cn3c(O)nnc3O)CCC[C@H]12 992444609 IFRDRXJWSGLTOF-HZMBPMFUSA-N 305.338 -0.564 30 20 DBED CN1CC[C@@H](C(=O)N2CCC(NCC#N)CC2)S1(=O)=O 997079580 ILXHQRDQIBKSIR-NSHDSACASA-N 300.384 -0.876 30 20 DBED CC(=O)N1CCNC(=O)CCN(C(=O)c2c[nH]c(C#N)c2)CC1 1001738574 QBKWUDNNTBDRDD-UHFFFAOYSA-N 317.349 -0.303 30 20 DBED C[C@@H](C#N)C(=O)N1CC([C@H](C)NC(=O)c2cn(C)c(=O)cn2)C1 1006571010 VXCCIAGTOIXIGB-UWVGGRQHSA-N 317.349 -0.483 30 20 DBED C#Cc1cncc(C(=O)N[C@H](C)C2CN(C(=O)C(N)=O)C2)c1 1006831960 HGHVEEHLBWMVOD-SECBINFHSA-N 300.318 -0.875 30 20 DBED C#Cc1cncc(C(=O)N[C@H]2CN(C(=O)C(N)=O)CC2(C)C)c1 1008560810 CURZAISCIQCXDZ-LBPRGKRZSA-N 314.345 -0.485 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C(=O)COc2cnn(C)c2)CC1 1012256874 NDLYJABTXKDVIH-NSHDSACASA-N 305.338 -0.371 30 20 DBED COCCN1C[C@@H](C(=O)NC[C@H]2CCCCN2CC#N)CC1=O 1024468334 MUMCDJGEYUSCFU-UONOGXRCSA-N 322.409 -0.024 30 20 DBED Cc1ccc(=O)n(CC(=O)N2C[C@@H]3CC[C@@H](NCC#N)[C@H]3C2)n1 1026402219 IUSBQVBWESHBQY-MELADBBJSA-N 315.377 -0.098 30 20 DBED C=CCN(C)[C@@H]1CCCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 1027683149 DFTUBWUGZJORJX-VXGBXAGGSA-N 301.412 -0.213 30 20 DBED C#CCN1CC[C@@H](N(C)C(=O)c2ccc(=O)n(CCOC)n2)C1 1033247871 VKRCAFRPBHHFMU-CYBMUJFWSA-N 318.377 -0.331 30 20 DBED C=CCn1cccc1C(=O)NC[C@@H]1CN(CC(N)=O)CCO1 1035398310 LUBOLTCKFGMQFM-GFCCVEGCSA-N 306.366 -0.410 30 20 DBED C#CCN1CCO[C@H](CNC(=O)c2nnn(CC)c2CC)C1 1035510210 FOEGTFRKRGRQQR-GFCCVEGCSA-N 305.382 -0.076 30 20 DBED C=CCCn1cc(C(=O)NC[C@@H]2CN(CCO)CCO2)nn1 1035540082 WPGLQLMJQJGOSU-GFCCVEGCSA-N 309.370 -0.723 30 20 DBED C#CCN1CCO[C@H](CNC(=O)[C@@H]2CCN(C(=O)CC)C2)C1 1035569216 DEEMMSUDBGAPOA-ZIAGYGMSSA-N 307.394 -0.305 30 20 DBED C[C@@H]1CN(C(=O)CN2CCC(=O)NC2=O)CC[C@@H]1NCC#N 1036263124 LUVIPSQTSSXCQQ-MNOVXSKESA-N 307.354 -0.722 30 20 DBED CC(C)C#CC(=O)NC[C@@]1(O)CCN(C(=O)c2cn(C)cn2)C1 1039664496 REOQTBWRAIWBJS-INIZCTEOSA-N 318.377 -0.227 30 20 DBED C[C@H]1[C@@H](Nc2cnc(C#N)cn2)CCN1C(=O)Cn1cnnn1 1040050224 RGWKSQCHVIYBKJ-ONGXEEELSA-N 313.325 -0.564 30 20 DBED N#CCN1CCC[C@@]2(CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)C1 1040390194 HPGJFJBUHQEYLM-WOSRLPQWSA-N 320.393 -0.143 30 20 DBED C[C@]1(C(=O)NC[C@@]2(O)CCN(C(=O)C#CC3CC3)C2)CCOC1 1040697905 AYLCCJWVAHNZIX-IRXDYDNUSA-N 320.389 -0.094 30 20 DBED C#CCN1CC[C@]2(CCN(C(=O)CN3CCN(C)C(=O)C3)C2)C1 1041422699 OZGAIVVKZMTKJN-KRWDZBQOSA-N 318.421 -0.682 30 20 DBED Cn1cnn(CCC(=O)N2CC[C@@]3(CCN(CC#N)C3)C2)c1=O 1041509978 TWNZVTKBMDRFEJ-OAHLLOKOSA-N 318.381 -0.580 30 20 DBED N#Cc1cc(C(=O)N2CC(O)(CNC(=O)c3cn[nH]c3)C2)c[nH]1 1041658172 ZHLCCGPVMOSAIS-UHFFFAOYSA-N 314.305 -0.774 30 20 DBED C[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1NC(=O)c1cnnn1C 1041871815 ZOTDOJVQULIJAS-MWLCHTKSSA-N 312.337 -0.269 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)c2c[nH]c(C)cc2=O)C1 1041960328 NKCKNKRCOCYCRM-UHFFFAOYSA-N 319.361 -0.047 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)C2CC(F)(F)C2)C1 1042040589 VPFMOVVVKPMABK-UHFFFAOYSA-N 318.320 -0.076 30 20 DBED CC(C)OCC(=O)N1CC(O)(CNC(=O)c2ccc(C#N)[nH]2)C1 1042609537 YJNOZIGSYXMRQC-UHFFFAOYSA-N 320.349 -0.386 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)C2(C(=O)NC)CC2)C1 1042802078 CRYNCDPYEDGJBH-UHFFFAOYSA-N 321.377 -0.994 30 20 DBED CO[C@@H](C(=O)NCC1(O)CN(C(=O)C#CC(C)C)C1)C1CC1 1042840876 LLAGPEVXDBWHGN-CQSZACIVSA-N 308.378 -0.240 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)c2ccnn2C)C1 1042936400 GRRJKJHRDONWFK-UHFFFAOYSA-N 304.350 -0.617 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)COCC(F)F)C1 1042943571 TUDMPFLZYSNSNP-UHFFFAOYSA-N 318.320 -0.383 30 20 DBED C=CCN1CC(N(C)C(=O)c2ccc(=O)n(CCOC)n2)C1 1043276617 RVXNKBLNDNLZQW-UHFFFAOYSA-N 306.366 -0.168 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)CCCCN(C)C)C1 1045546829 RRTKTQOMEZSEDV-GFCCVEGCSA-N 310.398 -0.433 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C)c(C(N)=O)cn2)C1 1047536078 PXGGSSMDWGIZOV-KBPBESRZSA-N 316.361 -0.761 30 20 DBED CN(C(=O)C#CC1CC1)[C@H]1CN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C[C@@H]1O 1048828041 DIWPKGBPEHANKU-HCZIRCDUSA-N 318.373 -0.678 30 20 DBED C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)CN1CCNC(=O)C1 1049633430 BSEZNMODOZHNKB-KGLIPLIRSA-N 306.410 -0.331 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)[C@H]1CCN(C(=O)CCOC)C1 1049683707 AFUDDHYKISBHOE-OLZOCXBDSA-N 323.393 -0.484 30 20 DBED C=C(C)CN1CCOC[C@@H]1CNC(=O)c1cnc(O)n(C)c1=O 1051060732 JBPQDCWOIOTHOA-NSHDSACASA-N 322.365 -0.507 30 20 DBED O=C1NCCC[C@@H]1NC[C@@H]1CN(C(=O)C#CC2CC2)CCO1 1051609147 OXYJPSSEELCHRQ-KGLIPLIRSA-N 305.378 -0.505 30 20 DBED Cn1cncc1CC(=O)N1CC[C@@H](N2CCN(CC#N)CC2)C1 1052107907 HSQCFIHMTQTHMU-CQSZACIVSA-N 316.409 -0.295 30 20 DBED C=CCN1CCC[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)CC1 1052945165 DLIRJBDSFZMZGQ-NEPJUHHUSA-N 301.412 -0.165 30 20 DBED C=C(C)CN1CC2(C1)CN(C(=O)[C@H]1COCCN1C)CCO2 1053226841 XGYQBRYBEPNNCQ-CQSZACIVSA-N 309.410 -0.194 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)C(=O)N3CCC[C@H](C)C3)CO2)C1 1053948840 RWFHYRRUGBWLOW-UONOGXRCSA-N 319.405 -0.162 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)CC(=O)N(C)C)C[C@@H]2C1 1055344294 ZKRMFPZEOPOVEM-SDDRHHMPSA-N 306.366 -0.459 30 20 DBED CN1CC[C@H](C(=O)N2CCN(c3cnc(C#N)cn3)CC2)C1=O 1055973690 ZXSHHKHOLVTQHN-LBPRGKRZSA-N 314.349 -0.525 30 20 DBED Cn1ccc(C(=O)N[C@H]2[C@@H]3CN(c4cnc(C#N)cn4)C[C@@H]32)n1 1056225900 PJVPXJBSIUSWEJ-YABSGUDNSA-N 309.333 -0.054 30 20 DBED Cc1nonc1C(=O)NC1[C@@H]2CN(c3cncc(C#N)n3)C[C@@H]12 1056240778 ANOFJPZWSSDTSM-NXEZZACHSA-N 311.305 -0.096 30 20 DBED C=C[C@](C)(O)CC(=O)NCCN(CCO)C(=O)CCOC 1056732711 UZQVXGLJPGYSGE-AWEZNQCLSA-N 302.371 -0.713 30 20 DBED CN(c1nccnc1C#N)[C@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 1056910416 TZISPRMISYMJJN-GXSJLCMTSA-N 316.321 -0.506 30 20 DBED O=C(C#CC1CC1)NCCN(CCO)C(=O)C[C@@H]1CCCO1 1057071865 RZDRZPFPPMEYRS-AWEZNQCLSA-N 308.378 -0.094 30 20 DBED CNC(=O)CCCC(=O)N(CCO)CCNC(=O)C#CC1CC1 1057395907 TXNSFHUMUTUDEQ-UHFFFAOYSA-N 323.393 -0.747 30 20 DBED Cn1ccc(C(=O)N(CCO)CCNC(=O)C#CC2CC2)n1 1057637806 SEDHYNOBXQXKTK-UHFFFAOYSA-N 304.350 -0.616 30 20 DBED Cn1cnc(C(=O)N[C@H]2CCCN(c3cnc(C#N)cn3)C2)n1 1058154063 TVSMVAOCYVTRMU-JTQLQIEISA-N 312.337 -0.124 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)[C@@H]1CCCC(=O)N1C 1058363434 DNKNUUJJOJSVGU-RYUDHWBXSA-N 324.381 -0.906 30 20 DBED N#Cc1nccnc1N[C@H]1CCN(C(=O)C2CS(=O)(=O)C2)C1 1058974664 YOCGJCPZOOHFRN-JTQLQIEISA-N 321.362 -0.594 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CC[C@H](CNC(=O)CNC(N)=O)CC1 1060812841 GTOQEPCWPLFSRZ-DCAQKATOSA-N 309.370 -0.394 30 20 DBED CC(=O)NCC(=O)N1CC2(CCN(C(=O)[C@H](C)C#N)CC2)C1 1060885981 IZCMFSZXRAWVEQ-LLVKDONJSA-N 306.366 -0.267 30 20 DBED C#CCCCCC(=O)NC[C@@H]1COCCN1C(=O)CNC(N)=O 1061515516 OLHVLHQOSSIOOB-GFCCVEGCSA-N 324.381 -0.808 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@H]1COCCN1C(=O)c1cc[nH]n1 1061542048 HJADVQGOCVKYDA-XHDPSFHLSA-N 322.365 -0.306 30 20 DBED Cn1ncc(C(=O)NC[C@H]2CCN(c3cnc(C#N)cn3)C2)n1 1061622461 FKVOMUXEMOHVKH-SNVBAGLBSA-N 312.337 -0.267 30 20 DBED CN(C(=O)c1ncn(C)n1)[C@H]1CCN(c2cncc(C#N)n2)C1 1062926710 KNHDOMIPEVRZBW-NSHDSACASA-N 312.337 -0.172 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)[C@]2(C)CCC(=O)N2)CCC1 1064429850 LFPLKDRVEDJARL-HZMBPMFUSA-N 306.366 -0.030 30 20 DBED N#Cc1cnc(NC[C@H]2CN(C(=O)C(N)=O)CCO2)c(F)c1 1066669924 ZVDJRWHRCHCIAH-VIFPVBQESA-N 307.285 -0.783 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(CC#N)C[C@@H]2n2ccnn2)cn1 1070078507 BOXASEJIUTZPFS-CABCVRRESA-N 321.344 -0.167 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2ncoc2C)C[C@@H]1n1ccnn1 1070153012 AGRAUFPLHXBXIW-NEPJUHHUSA-N 300.322 -0.137 30 20 DBED N#CCN[C@@H]1CN(C(=O)Cc2ccon2)C[C@@H]1n1ccnn1 1070160709 BBGGLFXIEMIOPW-NEPJUHHUSA-N 301.310 -0.626 30 20 DBED C=CCN[C@@H]1CN(C(=O)[C@@]2(F)CCOC2)C[C@@H]1n1ccnn1 1070259540 URUCIMHICNRXHT-MBNYWOFBSA-N 309.345 -0.066 30 20 DBED C#CCCN1CCNC(=O)CCN(C(=O)[C@@H]2CCOC2)CC1 1070944876 OEIUGPSXCCPTHM-CQSZACIVSA-N 307.394 -0.303 30 20 DBED C[C@@H]1C[C@H](C(=O)N2CCC(=O)NCCN(CC#N)CC2)CO1 1070976665 LQTRFMAQPMURNC-OLZOCXBDSA-N 308.382 -0.415 30 20 DBED C[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1NC(=O)C#CC1CC1 1072635003 CNZWPBPAISLFMR-ZYHUDNBSSA-N 303.362 -0.372 30 20 DBED N#CCN1CCC2(C1)CN(C(=O)C[C@@H]1CCS(=O)(=O)C1)C2 1072903226 VEMXHSWRDRQEBN-LBPRGKRZSA-N 311.407 -0.131 30 20 DBED COCCC(=O)NCC1(O)CCN(C(=O)C#CC2CC2)CC1 1074581462 ZWAJSIBCBZBNOI-UHFFFAOYSA-N 308.378 -0.094 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)C(=O)N2CCC[C@@H](C)C2)C1 1077789876 NEKOZIYCRXDDNU-MGPQQGTHSA-N 309.410 -0.018 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2csc(-c3nc[nH]n3)n2)C1 1077827970 QBCMBFKRBBTYBL-VXNVDRBHSA-N 319.350 -0.773 30 20 DBED C=CCCOCC(=O)N[C@@H](C)CCNC(=O)CCn1cnnn1 1078025848 YHTWOTMXYQICTO-LBPRGKRZSA-N 324.385 -0.333 30 20 DBED C[C@@H](CCNC(=O)[C@H](C)C#N)NC(=O)CCCS(C)(=O)=O 1078130680 JOFDFCDASLDQOZ-MNOVXSKESA-N 317.411 -0.018 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2cccc(C(=O)NC)c2)C1 1078201850 RJCLDLIJHRHLID-ZIAGYGMSSA-N 301.346 -0.546 30 20 DBED C=CCOCC(=O)N[C@@H](C)CCNC(=O)c1cn(C)c(O)n1 1078208339 VOTDEGMZRIROHI-JTQLQIEISA-N 310.354 -0.047 30 20 DBED C=CCOCC(=O)N(CC)C1CN(C(=O)[C@H]2CCCNC2=O)C1 1079492813 NQHUQRSOAUCBAO-ZDUSSCGKSA-N 323.393 -0.226 30 20 DBED CCN(C(=O)C1(C(=O)NC)CC1)C1CN(C(=O)[C@@H](C)C#N)C1 1080080822 UPQRAJWISLHXPD-JTQLQIEISA-N 306.366 -0.268 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)Cc2ccco2)C[C@H]1O 1081345187 ZOHAAEJVFLAQFA-TZMCWYRMSA-N 322.361 -0.040 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@H](CNC(=O)C2=CCOCC2)C1 1081428672 UBYHANPTXMMDAN-ZIAGYGMSSA-N 324.377 -0.529 30 20 DBED Cn1cncc1C(=O)N1C[C@@H](O)[C@@H](CNC(=O)C#CC2CC2)C1 1081473298 FQSKMHNXYAXSRL-GXTWGEPZSA-N 316.361 -0.617 30 20 DBED C=CCCCC(=O)N1C[C@H](CNC(=O)Cn2nccn2)[C@@H](O)C1 1081519649 JPNDUGLQVPCWDX-STQMWFEESA-N 321.381 -0.430 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)[C@H](OC)C1 1081972618 GQRLLISMXJNKDZ-VQJWOFKYSA-N 308.378 -0.514 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1ccoc1CC(N)=O 1082070378 AOYHCHRADZCNOZ-ZYHUDNBSSA-N 306.322 -0.740 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)C(C)(C)N1CCOCC1 1082239011 UUUCYIRKUXQQRA-CHWSQXEVSA-N 310.398 -0.564 30 20 DBED O=C1NCCC[C@H]1N1C[C@H]2[C@@H](C1)OCCN2C(=O)C#CC1CC1 1083076753 ADSTVUGRSIAMAS-QLFBSQMISA-N 317.389 -0.410 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CCCN1C(C)=O 1083252640 WNIAXNLOWFLIER-SOUVJXGZSA-N 305.378 -0.458 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CC(=O)N(C(CC)CC)C2)C1 1083503774 BNBNYTNYJNBQMT-YUELXQCFSA-N 321.421 -0.182 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2nc3ccccn3c2F)C1 1083918025 UZNFSTZZCZUYFU-ZJUUUORDSA-N 303.297 -0.228 30 20 DBED C=CCN1CC[C@@H]2CN(C(=O)c3cn(C)c(=O)n(C)c3=O)[C@@H]2C1 1084698810 KDRLKEBRTFKVMO-DGCLKSJQSA-N 318.377 -0.584 30 20 DBED C=C(C)CCN1CC[C@H](NC(=O)c2nnc(O)nc2O)[C@H](O)C1 1090398288 XMUJYHXHBNTOHQ-VHSXEESVSA-N 323.353 -0.586 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2cnn3cc[nH]c23)[C@H](O)C1 1090763938 NXFJPZYIXFHUOE-QWHCGFSZSA-N 301.350 -0.149 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2cnc(OCC)cn2)[C@H](O)C1 1090856200 YEHGWMHTMYVNSB-DGCLKSJQSA-N 304.350 -0.327 30 20 DBED CC(C)OCCC(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1091077034 MMUSONPANNZIGY-OLZOCXBDSA-N 319.365 -0.171 30 20 DBED COC[C@@H](C)C(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@@H]1O 1091089221 VUVXDTCNNQJCAJ-HONMWMINSA-N 304.350 -0.099 30 20 DBED N#Cc1cncc(N[C@H]2C[C@@H](CNC(=O)CCNC(N)=O)C2)n1 1091347472 FKHOKZUVHITEAU-AOOOYVTPSA-N 317.353 -0.287 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CN(Cc3nnn(C)n3)C[C@@]2(C)C1 1091547605 NIYABXYTPGZHLB-WDMOLILDSA-N 303.370 -0.350 30 20 DBED Cc1cc(=NCCNC(=O)C[C@@H]2CCNC2=O)c(C#N)c[nH]1 1093921061 HHWJZOPQUKUSJM-NSHDSACASA-N 301.350 -0.262 30 20 DBED C=CCN1CCN(C(=O)c2cn[nH]c2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094611412 HWHFGVBXRMOVLG-NWDGAFQWSA-N 310.379 -0.481 30 20 DBED N#Cc1ccc(NCCCNC(=O)C2CS(=O)(=O)C2)nc1 1094611747 DUWQSIVFVLVAMR-UHFFFAOYSA-N 308.363 -0.084 30 20 DBED CC#CCN1CC(N2C[C@H](NC(=O)c3cncn3C)CC2=O)C1 1094753393 JLADTUZJEXDMBA-GFCCVEGCSA-N 315.377 -0.542 30 20 DBED Cc1cc(=N[C@@H]2CCN(C(=O)CNC(N)=O)C2)c(C#N)c[nH]1 1095014863 GEEXFZNLDSAPOW-LLVKDONJSA-N 302.338 -0.635 30 20 DBED CCNC(=O)CC(=O)N1CC[C@@H](N(C)c2nccnc2C#N)C1 1095110189 FIAJXAKZGFZTCY-LLVKDONJSA-N 316.365 -0.088 30 20 DBED CCN(CCCNC(=O)[C@H](C)NC(N)=O)c1nccnc1C#N 1095866123 KJTXJVASPSABHT-JTQLQIEISA-N 319.369 -0.262 30 20 DBED CSCC(=O)NCCN1CCN(c2nccnc2C#N)CC1 1096264431 YIPVJCKLYCYQBT-UHFFFAOYSA-N 320.422 -0.051 30 20 DBED COC[C@H](OC)C(=O)N[C@@H]1CCN(c2cncc(C#N)n2)C1 1096482194 IONCRAPNTFDACT-PWSUYJOCSA-N 305.338 -0.295 30 20 DBED CCNC(=O)CC(=O)NC[C@@H](N=c1cc[nH]c(C#N)n1)C1CC1 1096649896 IKVKEDJVTCAWFF-LLVKDONJSA-N 316.365 -0.397 30 20 DBED C[C@H](NC(N)=O)C(=O)NC[C@@H](N=c1cc[nH]cc1C#N)C1CC1 1096655647 CVWWGXYQVOZZFT-TVQRCGJNSA-N 316.365 -0.261 30 20 DBED CCC(=O)NCC(=O)N1CC[C@H](N=c2cc[nH]c(C#N)n2)C1 1096927884 XAZYPENBXXDQJQ-JTQLQIEISA-N 302.338 -0.691 30 20 DBED N#Cc1cncc(N[C@H]2C[C@@H](NC(=O)CCNC(N)=O)C2)n1 1097183797 CDABJQXYLCVDEV-DTORHVGOSA-N 303.326 -0.534 30 20 DBED C[C@@H](NC(=O)CC(N)=O)[C@H]1CCCN(c2ccc(C#N)nn2)C1 1097519009 OWDLZMXJMVJEPZ-MNOVXSKESA-N 316.365 -0.055 30 20 DBED C[C@H](NC(=O)C(N)=O)[C@@H]1CCCN(c2ccc(C#N)nn2)C1 1097548248 SIUMIZFARRCEDK-VHSXEESVSA-N 302.338 -0.445 30 20 DBED Cc1cc(C#N)nc(N2CCC[C@@H]([C@H](C)NC(=O)C(N)=O)C2)n1 1097548387 URDBYCQJHLGJRK-WDEREUQCSA-N 316.365 -0.137 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H]1CCc2nnnn2CC1 1097888245 LUYWHOJHCJHBID-SYQHCUMBSA-N 314.393 -0.020 30 20 DBED COCC(=O)N[C@@H](C)C(=O)NC[C@H](C)Nc1cncc(C#N)n1 1098345594 BWSZVNBPQKDIBE-UWVGGRQHSA-N 320.353 -0.584 30 20 DBED CC/C(C)=C/C(=O)N[C@@H]1CCN(CC(=O)NCC#N)C[C@H]1O 1099818091 JXOMYDMPQJVEFU-NALFIARHSA-N 308.382 -0.466 30 20 DBED Cn1ccc(CN2CC[C@H](NC(=O)C#CC3CC3)[C@H](O)C2)n1 1099827639 YDJWQGRPMXEZJN-LSDHHAIUSA-N 302.378 -0.115 30 20 DBED CC(C)(CN1CCOCC1)C(=O)N[C@H]1CCN(CC#N)C[C@H]1O 1099892911 RHRJAAHHIWQXFH-UONOGXRCSA-N 324.425 -0.580 30 20 DBED C=CCN1CC[C@H](NC(=O)CCN2C(=O)CCC2=O)[C@@H](O)C1 1099908666 HOOAILZMVOAPCP-RYUDHWBXSA-N 309.366 -0.737 30 20 DBED C=CCCCC(=O)N[C@H]1CCN(CC(=O)NC(N)=O)C[C@H]1O 1099973824 JQHAFLARNYIUGD-WDEREUQCSA-N 312.370 -0.911 30 20 DBED CCn1cnc(C(=O)N[C@@H]2CCN(CC#CCOC)C[C@H]2O)c1 1100074513 OTSYZVIXAQVDRH-UKRRQHHQSA-N 320.393 -0.282 30 20 DBED C#CCN1CC[C@H](NC(=O)CNC(=O)C2CCCCC2)[C@@H](O)C1 1100096184 AXKZRTNRUSNDQY-GJZGRUSLSA-N 321.421 -0.133 30 20 DBED C=CCN1CC[C@@H](NC(=O)CS(=O)(=O)CCCC)[C@H](O)C1 1100129956 VVORFVWGFWJPIT-CHWSQXEVSA-N 318.439 -0.061 30 20 DBED CCN(CCNC(=O)CCn1ccnn1)c1ccnc(C#N)n1 1100520423 FKSQFMFJBHKNRI-UHFFFAOYSA-N 314.353 -0.027 30 20 DBED N#Cc1ccc(N2CCC[C@@H]2CNC(=O)Cn2ncnn2)nc1 1100867682 CJBGKTBOHGLLGH-GFCCVEGCSA-N 312.337 -0.275 30 20 DBED N#Cc1cncc(N2CC[C@H](CNC(=O)CCNC(N)=O)C2)n1 1100980201 MITCKLDYMKYTJU-SNVBAGLBSA-N 317.353 -0.651 30 20 DBED CCCN(CCNC(=O)CNC(=O)NC)c1nccnc1C#N 1101254998 VTDQGTQKGSRFAT-UHFFFAOYSA-N 319.369 -0.390 30 20 DBED CC[C@@H](CNC(=O)[C@H]1CCC(=O)N1)Nc1cncc(C#N)n1 1102992041 HXRNOJXSKUSWFP-GXSJLCMTSA-N 302.338 -0.066 30 20 DBED CC[C@@H](CNC(=O)[C@H]1CNC(=O)N1)Nc1nc(C)cc(C#N)n1 1103278195 XIJOERHCNCCAJK-GXSJLCMTSA-N 317.353 -0.355 30 20 DBED Cc1cc(=NC[C@@H](C)N(C)C(=O)[C@H]2CNC(=O)N2)c(C#N)c[nH]1 1104785007 LCBVVBQKTCKDMQ-ZWNOBZJWSA-N 316.365 -0.376 30 20 DBED CCn1cc(C(=O)NC[C@H](O)CN=c2cc[nH]c(C#N)n2)cn1 1105765545 BKBDQMHWAJNTOK-LLVKDONJSA-N 315.337 -0.811 30 20 DBED CNC(=O)NCCC(=O)NC[C@@H](O)CNc1ccc(C#N)nc1 1105815468 JQZQGUACPXQVBA-LBPRGKRZSA-N 320.353 -0.839 30 20 DBED Cc1ccc(C#N)c(NC[C@H](O)CNC(=O)CCNC(N)=O)n1 1105853949 SGCOESUTJLFMFY-LLVKDONJSA-N 320.353 -0.791 30 20 DBED N#Cc1cccnc1NC[C@H](O)CNC(=O)CCCC(N)=O 1105883222 QXSOXEUZVBSJTJ-LLVKDONJSA-N 305.338 -0.502 30 20 DBED Cc1nonc1C(=O)NC[C@H](O)CNc1cncc(C#N)n1 1105884105 CQCLBDMXHFVOEJ-SECBINFHSA-N 303.282 -0.758 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](C)[C@H](CNCCS(C)(=O)=O)C1 1105945596 BMQGDWURFYDZJI-QJPTWQEYSA-N 301.412 -0.125 30 20 DBED Cc1ncc(C(=O)NC[C@@H](O)CN=c2cc[nH]c(C#N)n2)n1C 1106093296 WUVULCJZDYZODI-JTQLQIEISA-N 315.337 -0.985 30 20 DBED CC[C@H](NC(C)=O)C(=O)NC[C@@H](O)CNc1cnc(C#N)cn1 1106124137 XEYYOTUMZYGSDR-RYUDHWBXSA-N 320.353 -0.848 30 20 DBED CN(C)C(=O)CC(=O)NC[C@H](O)CNc1ncccc1C#N 1106134345 STRYCZYGAXGHRH-NSHDSACASA-N 305.338 -0.679 30 20 DBED C[C@@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)C[C@@H]1CCNC1=O 1106464901 IQFKMGSHOUNHMX-QWRGUYRKSA-N 316.365 -0.397 30 20 DBED Cc1cc(=NC/C=C/CNC(=O)[C@H](C)NC(N)=O)c(C#N)c[nH]1 1107168509 HINRXUQLLXJAFK-UFFNRZRYSA-N 316.365 -0.175 30 20 DBED C=C(C)CN1CC(n2cc(CNC(=O)[C@H](COC)OC)nn2)C1 1107208087 PPUARCCPEFDTKL-AWEZNQCLSA-N 323.397 -0.012 30 20 DBED C[C@H](CC(N)=O)C(=O)NC/C=C/CNc1cncc(C#N)n1 1107450195 BZZTYNXSNZESLS-VMZHVLLKSA-N 302.338 -0.056 30 20 DBED C#CCNC(=O)CN1CCO[C@](C)(CNC(=O)[C@@H]2CCCO2)C1 1107720944 SNRANMQOHMSNEI-XJKSGUPXSA-N 323.393 -0.878 30 20 DBED C[C@@H](C(=O)N[C@H](C)CNc1ccc(C#N)nn1)N1CCOCC1 1107824573 WCRZXCRIZDDXNS-NEPJUHHUSA-N 318.381 -0.014 30 20 DBED C=C(C)CN1CCO[C@@](C)(CNC(=O)[C@@H]2CN(C)C(=O)N2)C1 1108120362 YTDCXVBLBAOIJP-WFASDCNBSA-N 310.398 -0.207 30 20 DBED Cn1cc(OCC(=O)NC[C@@]2(C)CN(CC#N)CCO2)cn1 1108162338 SHDXHWPUMSUVLL-AWEZNQCLSA-N 307.354 -0.470 30 20 DBED C#CCCCC(=O)N1CCN(CC#N)[C@H]2CS(=O)(=O)C[C@H]21 1108471594 MWQCNDQJLQOMJN-QWHCGFSZSA-N 309.391 -0.377 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)C1(C(=O)N(C)C)CC1 1108516796 SYAFTFYIIROOTO-JTQLQIEISA-N 316.365 -0.445 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CC(=O)N(C2CN(CCF)C2)C1 1108538770 NRJDRIXQZKFRNZ-ABAIWWIYSA-N 313.373 -0.316 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H]1CC(=O)N(C2CN(CC=C)C2)C1 1108546139 PBQMOOXXGXUYKF-STQMWFEESA-N 305.378 -0.388 30 20 DBED CC#CCCCC(=O)N[C@H]1CC(=O)N(C2CN(C[C@@H](C)O)C2)C1 1108564707 QHQFBRNXNYMTMQ-KGLIPLIRSA-N 321.421 -0.038 30 20 DBED N#Cc1nccnc1N1CC[C@](O)(CNC(=O)c2cnon2)C1 1111091445 QXTVXYYTRXKVOJ-ZDUSSCGKSA-N 315.293 -0.898 30 20 DBED C#CCO[C@@H](C)C(=O)N(CCO)CCN=c1cc[nH]c(C#N)n1 1111510983 SABIWWCYTLYVJO-LBPRGKRZSA-N 317.349 -0.959 30 20 DBED CCOCCC(=O)NC[C@@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1112703164 YJLWZJJWPRNALJ-YPMHNXCESA-N 319.365 -0.312 30 20 DBED C#CCNC(=O)CC(=O)N1CCN(Cc2nocc2C)CC1 1112777567 CJRJFFFEBWLHEY-UHFFFAOYSA-N 304.350 -0.233 30 20 DBED C[C@@H](CNC(=O)CS(C)(=O)=O)N(C)c1ncccc1C#N 1113520927 LAXOKCZMZPBVBS-JTQLQIEISA-N 310.379 -0.061 30 20 DBED C[C@H](CNC(=O)CCNC(N)=O)N(C)c1cnc(C#N)cn1 1113609412 KHDMSMYCHREDDR-SECBINFHSA-N 305.342 -0.652 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)c3cc[nH]n3)[C@H]2C1 1113894434 URPUJTXAUZQNFK-MEWQQHAOSA-N 301.350 -0.792 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)Cc3cnn(C)c3)[C@H]2C1 1113993455 YPRUAYGMRXVMHD-FOLVSLTJSA-N 302.378 -0.341 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC=C)C[C@@H]21 1114270287 CNYWWQRDSVYGGA-CXTNEJHOSA-N 305.378 -0.627 30 20 DBED C=CCOCCN1C[C@H]2[C@H](NC(=O)CN3CCOCC3=O)[C@H]2C1 1114411549 GUSLEXKRLCTUSX-VIKVFOODSA-N 323.393 -0.906 30 20 DBED CN(C)CC1(C(=O)N[C@H]2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]32)CC1 1114743618 MVDSPBDRQVBASK-IMRBUKKESA-N 319.409 -0.986 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)CCN(C)C)[C@@H]2C1 1114780404 IHWJECZCRXVBMP-YNEHKIRRSA-N 306.410 -0.878 30 20 DBED CN1CCCN(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 1116040136 MMKQSLDXDKDBNF-YPKPFQOOSA-N 321.381 -0.140 30 20 DBED N#CCN1CCN(C(=O)c2cccc(CS(N)(=O)=O)c2)CC1 1116166988 RTDNHOPHXIIEPZ-UHFFFAOYSA-N 322.390 -0.244 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)NCCCC(=O)NC1CC1 1117065829 XHNZHWFOXFNIRC-UHFFFAOYSA-N 303.362 -0.354 30 20 DBED C=CCN1CCC(NC(=O)C(=O)N[C@H]2CC(=O)N(C)C2)CC1 1117288433 MHPWFPOHOZUGMX-LBPRGKRZSA-N 308.382 -0.900 30 20 DBED CN1CCC[C@H](NC(=O)C(=O)Nc2ccn(CCC#N)n2)C1=O 1118908159 PESUNRXVKSOXBR-JTQLQIEISA-N 318.337 -0.528 30 20 DBED CC(=O)N[C@@H](C)C(=O)NC[C@@H](CO)Nc1ncc(C#N)cc1F 1121177532 MJVKDZSPLMGIDA-KWQFWETISA-N 323.328 -0.494 30 20 DBED N#Cc1cnc(N[C@@H](CO)CNC(=O)CCc2ncc[nH]2)cn1 1121496065 FFEGZTMBZZEELE-LLVKDONJSA-N 315.337 -0.407 30 20 DBED N#Cc1nccnc1N[C@H](CO)CNC(=O)CCc1ncc[nH]1 1121496516 HRAUEXIQJVITCM-JTQLQIEISA-N 315.337 -0.407 30 20 DBED N#Cc1nc(=N[C@H](CO)CNC(=O)CCc2ncc[nH]2)cc[nH]1 1121496538 IEYMLSZCRDAFRL-JTQLQIEISA-N 315.337 -0.985 30 20 DBED Cc1cc(=N[C@H](CO)CNC(=O)c2[nH]cnc2C)c(C#N)c[nH]1 1121724516 PQVSWCFAFJCUHY-LBPRGKRZSA-N 314.349 -0.082 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H](CO)Nc1cc(COC)ncn1 1122037129 UGFVKZJWOSOPTC-DGCLKSJQSA-N 322.365 -0.450 30 20 DBED Cc1nn[nH]c1C(=O)NC[C@H](CO)Nc1ncc(C#N)cc1F 1122385469 MGTLOQOCGWHOTH-SECBINFHSA-N 319.300 -0.278 30 20 DBED Cc1nc(C)c(C(=O)NC[C@@H](CO)Nc2cnc(C#N)cn2)[nH]1 1122592536 DDXRMDXYQSPQOZ-NSHDSACASA-N 315.337 -0.109 30 20 DBED CC(C)COC[C@@H](O)CNCCNC(=O)CSCC#N 1123799444 SAAGPABAMZOSBL-LBPRGKRZSA-N 303.428 -0.018 30 20 DBED COCCC(=O)N(C)C[C@@H](O)CN=c1cc(C)[nH]cc1C#N 1124018314 WPXILNOCQXAQOR-ZDUSSCGKSA-N 306.366 -0.049 30 20 DBED CN(C[C@@H](O)CNc1nccnc1C#N)C(=O)CN1CCCC1 1124351793 GLCFAZNZSRIXFB-LBPRGKRZSA-N 318.381 -0.325 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)c1n[nH]cc1F 1124721101 GLVXAKPUOACZIY-QMMMGPOBSA-N 319.300 -0.823 30 20 DBED CNC(=O)CC(=O)N(C)CCOCCNc1ccc(C#N)nn1 1127275005 LTYQBNQFPZYYIG-UHFFFAOYSA-N 320.353 -0.629 30 20 DBED N#Cc1nccc(N2CC=C(CNC(=O)CC(N)=O)CC2)n1 1127633697 WUOFFKQTGOBIFJ-UHFFFAOYSA-N 300.322 -0.524 30 20 DBED N#CCNC(=O)CNCCNC(=O)Cc1cn2c(n1)CCCC2 1127797124 HKMZECGEINTVAJ-UHFFFAOYSA-N 318.381 -0.893 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1ccc2cccnc2n1 1127811055 XZOSVTUIKUQGIC-UHFFFAOYSA-N 312.333 -0.411 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)C[C@H]1CCNC1=O 1129302106 ANNKIOWHWWHLAT-CYBMUJFWSA-N 322.409 -0.581 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@@H]1CCCn2nccc21 1130437728 NOSYXEMGWCPWAA-GFCCVEGCSA-N 305.382 -0.232 30 20 DBED C=C(C)CN1C[C@H]2C[C@@H]3CN(C(=O)[C@H](C)NC(N)=O)C[C@@]3(C1)O2 1131217548 PBNRUPUDBQCSRD-VPWBDBDCSA-N 322.409 -0.079 30 20 DBED C#CCOCCC(=O)N1C[C@H]2C[C@@H]3CN(CC#N)C[C@]2(C1)O3 1131227252 KUILZFVYSPAYIK-IIAWOOMASA-N 303.362 -0.148 30 20 DBED C=CCCC(=O)N1CCC(=O)NCCN([C@@H](C)C(N)=O)CC1 1131337033 UARALAVCFBPSGW-LBPRGKRZSA-N 310.398 -0.523 30 20 DBED C#CCCN1CC[C@@]2(C1)CN(C(=O)CNC(N)=O)C[C@H](C)O2 1131631893 JITDNBZGNGOXCU-SWLSCSKDSA-N 308.382 -0.630 30 20 DBED C[C@@H]1CC[C@H](NC(=O)c2cnccn2)CN1CC(=O)NCC#N 1131748269 RCLPGVZEGNVSNP-NEPJUHHUSA-N 316.365 -0.301 30 20 DBED C#CCNC(=O)CN1C[C@H](NC(=O)c2cncnc2)CC[C@@H]1C 1131972710 USMVNKDTIHELCB-GXTWGEPZSA-N 315.377 -0.191 30 20 DBED C[C@H]1CC[C@@H](NC(=O)CCNS(C)(=O)=O)CN1CC#N 1132078251 KTAGBEHVPUHGCF-WDEREUQCSA-N 302.400 -0.582 30 20 DBED C=C(C)CN(CC)C(=O)CN1C[C@H](NC(=O)C(N)=O)CC[C@@H]1C 1132253442 UFMBBOCMBCYIMX-QWHCGFSZSA-N 324.425 -0.135 30 20 DBED N#Cc1cccc(CNCCNC(=O)C2CC(=O)NC(=O)C2)c1 1135276941 NKAZPNUIGDDQBC-UHFFFAOYSA-N 314.345 -0.183 30 20 DBED COCC#CCN1CCCO[C@@H](CNC(=O)C2=COCCO2)C1 1149126076 YJAFGUMQGZQWJS-AWEZNQCLSA-N 324.377 -0.269 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(CC(=O)NCC#N)CCCO1 1149329538 BYVQRKMUYWNPEO-CYBMUJFWSA-N 308.382 -0.201 30 20 DBED COCC#CCN1CCCO[C@H](CNC(=O)c2ncccn2)C1 1150469320 FOHLDIKLZSKLQI-CQSZACIVSA-N 318.377 -0.053 30 20 DBED COCCC1(NC(=O)[C@@H]2CCN(C)C2=O)CCN(CC#N)CC1 1151281543 MKVQUBIYAJZYBH-ZDUSSCGKSA-N 322.409 -0.024 30 20 DBED CCN(CC#CCOC)[C@H](C)CNC(=O)CN1CCOCC1 1152802724 TZQPWAWKONARCK-OAHLLOKOSA-N 311.426 -0.205 30 20 DBED CCOCC(=O)N1CCCC[C@@H]1CN(C)CC(=O)NCC#N 1157510196 JKLFPXBDKCVZDO-CYBMUJFWSA-N 310.398 -0.024 30 20 DBED C=CCNC(=O)[C@H](C)N(C)C[C@H]1CCCCN1C(=O)CC(N)=O 1157737545 CLJXPXIDAUXMSW-QWHCGFSZSA-N 324.425 -0.135 30 20 DBED C#CCOCCC(=O)NCCCNCC(=O)NC(=O)NCC=C 1157859874 YSQWCQQBCWXKKX-UHFFFAOYSA-N 324.381 -0.866 30 20 DBED C#CCO[C@@H](C)C(=O)NCCCNCC(=O)NC(=O)NC1CC1 1157869734 QDDCVXPNNZPDBL-NSHDSACASA-N 324.381 -0.891 30 20 DBED C=C(Cl)CNCCCNC(=O)CS(=O)(=O)CCOC 1161099408 XRIHWEQMBMSMNF-UHFFFAOYSA-N 312.819 -0.104 30 20 DBED COCC#CCNCCCC[C@H](C)NC(=O)Cn1cnnn1 1169053502 FCZGOUQEBJEOGD-ZDUSSCGKSA-N 308.386 -0.413 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@H]1CCCCN(C)C1=O 1171019242 OIGRDHGEUQWIDK-CYBMUJFWSA-N 322.409 -0.910 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@@]12CCCN(CC1)C2 1174769806 ZLCQMEBGTPAQOX-INIZCTEOSA-N 306.410 -0.682 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)CNC(=O)C(C)(C)C 1175890334 UNLBKQRZDBTJJE-GFCCVEGCSA-N 324.425 -0.618 30 20 DBED CC(C)C#CC(=O)N1CC[C@@H](NCCN2C(=O)CNC2=O)C1 1182431521 ASABYFBNSVUULE-GFCCVEGCSA-N 306.366 -0.612 30 20 DBED C#CCCNC[C@H]1CN(C(=O)CC(N)=O)CC12CCOCC2 1186311434 SVGQYHQIYJPWEN-ZDUSSCGKSA-N 307.394 -0.270 30 20 DBED C#CCCN1C[C@@H]2CCN(C(=O)CCS(=O)(=O)NC)[C@@H]2C1 1187895883 TWWKNGOUTSOCFL-QWHCGFSZSA-N 313.423 -0.518 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2cnsn2)C1 1189057696 BBJUTQLWOWRTJN-JTQLQIEISA-N 309.395 -0.013 30 20 DBED COCC#CCN(C)[C@@H]1CCN(C(=O)Cc2n[nH]c(C)n2)C1 1190046363 HVEGBQRCBYIPEU-CYBMUJFWSA-N 305.382 -0.162 30 20 DBED COCC#CCN(C)[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2C)C1 1191797971 DFQOJTUJPJRUOV-KGLIPLIRSA-N 307.394 -0.210 30 20 DBED COc1cc(CN2C[C@@H](O)[C@H](NC(=O)[C@H](C)C#N)C2)sn1 1191853214 CNNULPLREJEATL-FBIMIBRVSA-N 310.379 -0.027 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)Cc2cc(C)[nH]n2)C1 1192109731 MVXQRNCMWWZBCU-ZIAGYGMSSA-N 306.366 -0.928 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(CCOC(C)C)C[C@H]1O 1192546269 FLIXSXFSHDKDJR-UMVBOHGHSA-N 300.399 -0.100 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C2(CC(C)C)CC2)C1 1193656590 RXWMOFLGAVIFDW-ZIAGYGMSSA-N 321.421 -0.277 30 20 DBED C#CCOCCC(=O)N1CCCN(Cc2nncn2C)CC1 1195824587 XFTXKJGWAGSOSO-UHFFFAOYSA-N 305.382 -0.111 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)CS(=O)(=O)CCCC)C1 1199136102 MHAFPCPLFOMHAH-CHWSQXEVSA-N 318.439 -0.061 30 20 DBED N#CCNC[C@H]1CN(C(=O)c2ccc(C(N)=O)[nH]2)CCCO1 1201421457 UYFUCMZNWOQMFH-JTQLQIEISA-N 305.338 -0.542 30 20 DBED N#CCNC[C@H]1CN(C(=O)c2ccc(C(N)=O)cn2)CCCO1 1202200385 LYLUPWPYLLGMAG-LBPRGKRZSA-N 317.349 -0.475 30 20 DBED COCC#CCN1C[C@@H](NC(=O)CO[C@H]2CCOC2)[C@H](C)C1 1206969225 OLEHHZQDADKAJI-QLFBSQMISA-N 310.394 -0.122 30 20 DBED Cc1nnsc1C(=O)N1CCC[C@@H](NCC(=O)NCC#N)C1 1207251460 JKZXLFXFJMBEGB-SNVBAGLBSA-N 322.394 -0.320 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(C)C2)C1 1208265024 QZYAHPXXQMVJGB-CHWSQXEVSA-N 322.409 -0.653 30 20 DBED C[C@@H]1CCN(CC(=O)N2CCC[C@@H](NCC(=O)NCC#N)C2)C1 1209643636 UOYRONZIMPSNPR-ZIAGYGMSSA-N 321.425 -0.451 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(Cc2cnnn2C)C[C@H]1OC 1212193269 CDGYUBWZLDWEPO-NFAWXSAZSA-N 323.397 -0.542 30 20 DBED C=CCOCCN1C[C@@H](NC(=O)[C@@H]2COC(=O)N2)[C@H](OC)C1 1212196497 UPVVNENKSRQRPE-GRYCIOLGSA-N 313.354 -0.887 30 20 DBED C=CCCN1C[C@@H](NC(=O)[C@@H](C)NC(=O)COC)[C@H](OC)C1 1212309097 MUFIUNAYYRJBFN-JHJVBQTASA-N 313.398 -0.471 30 20 DBED C=CCCN1C[C@@H](NC(=O)CNS(=O)(=O)CC)[C@H](OC)C1 1212359361 ZCWQNHOQIBIVDT-VXGBXAGGSA-N 319.427 -0.683 30 20 DBED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)[C@@H]1C[C@@H]2C[C@@H]2C1 1213310493 QBEXYRSTISZXRX-MBJXGIAVSA-N 320.393 -0.512 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)c2c[nH]nc2C)C[C@H]1C 1215275096 LWEJGEIMCCWIRR-ZWNOBZJWSA-N 303.366 -0.482 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CCCCNC(N)=O 1218253198 RKBSNEMRLAXZPR-QWHCGFSZSA-N 308.382 -0.630 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)Cc2ccsc2)C1 1219123142 RTCOYZTXUUNURZ-OLZOCXBDSA-N 323.418 -0.246 30 20 DBED CCN(C)C(=O)CN1C[C@H](O)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 1219485831 SMSHMCDJVSANPX-OLZOCXBDSA-N 319.365 -0.860 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(Cc2cc(C)n(C)n2)C[C@@H]1O 1219536107 KPDSRFSWLPHEDK-IJEWVQPXSA-N 322.409 -0.283 30 20 DBED N#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@H]2CCCC23CC3)C1 1219868140 WVKWTCJEKLYOFK-UPJWGTAASA-N 320.393 -0.632 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)c2cnn(CCCOC)c2)C1 1220708057 JCYGFUUBVQTTBG-KGLIPLIRSA-N 308.382 -0.120 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C2CCC=CCC2)C1 1220986903 DMFKUOINAKVIRP-CABCVRRESA-N 319.405 -0.357 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC(NC(=O)[C@H]2COCCO2)CC1 1226127689 HZNFZQFPQUTSCC-GXTWGEPZSA-N 323.393 -0.880 30 20 DBED C#CCOCCC(=O)N(C)C[C@@H]1CCN1Cc1nnnn1C 1234255422 MNNBVVZDGOGPOI-LBPRGKRZSA-N 306.370 -0.717 30 20 DBED C[C@H]1CN=C(NN=C2CCCc3nc(O)c(C(N)=O)cc32)N1 1257176965 QEHFTWZFWLUOGX-ZETCQYMHSA-N 302.338 -0.136 30 20 DBED C[S@](=O)C1(CNC(=O)C(=O)N2CCO[C@@H](C#N)C2)CCC1 1261198622 QTJVFYYOWYOQJW-CWKPULSASA-N 313.379 -0.845 30 20 DBED CC(C)[C@H](C(=O)NC[C@H](C)N(C)CC(=O)NCC#N)N(C)C 1282454567 DLXCRANXYJUSFE-GXTWGEPZSA-N 311.430 -0.351 30 20 DBED C=CCNC(=O)CNC(=O)N[C@@H]1CCc2nc(COC)nn2C1 1320108625 MUWQZYZCXMRKHL-SNVBAGLBSA-N 322.369 -0.659 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)NCCOC[C@@H]1CCCO1 1322147501 AMYLWVJDUNYRHW-NEPJUHHUSA-N 300.355 -0.385 30 20 DBED N#CCNC(=O)CNC(=O)NCCc1cccc(C(N)=O)c1 1322561765 DQPLAKNHJDQHAC-UHFFFAOYSA-N 303.322 -0.733 30 20 DBED C=C(C)COCCNC(=O)C(=O)N[C@@H]1CCC[C@@H]1C(=O)NC 1323587245 TUNWBQVTBSZRHQ-NWDGAFQWSA-N 311.382 -0.274 30 20 DBED C#CCSCCNC(=O)C(=O)N(C[C@H](C)O)[C@H](C)CO 1326868899 FDSQYZRWJJSAGV-MNOVXSKESA-N 302.396 -0.941 30 20 DBED CC#CC[C@H](CO)NC(=O)C1CCC2(CC1)NC(=O)NC2=O 1327172058 URPALTSNFHTNPI-LOIXOFCESA-N 307.350 -0.355 30 20 DBED Cc1cc(NC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)c(=O)n(C)c1 1328219870 ITNXDHVYWFRWNE-HNNXBMFYSA-N 318.333 -0.491 30 20 DBED C=CCN(C(=O)C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1OC)C1CC1 1331070340 RYDYAKFZDGEYFZ-GHMZBOCLSA-N 316.379 -0.908 30 20 DBED C#CCN(CC)c1nnc(CC[C@]2(C)NC(=O)NC2=O)n1C 1341138867 AXAJPGLGVIOAOV-AWEZNQCLSA-N 304.354 -0.195 30 20 DBED CO[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)C1(C)C 1345879665 KQSCWFWLMXYYSF-RWSFTLGLSA-N 309.366 -0.207 30 20 DBED C=CCn1c([C@H]2CNC(=O)C2)nnc1N(C)C[C@@H](C)C(=O)NC 1355379181 KAUQXBDNUUVZCB-GHMZBOCLSA-N 320.397 -0.114 30 20 DBED N#Cc1cc(C(=O)NC[C@]2(O)CCS(=O)(=O)C2)ccc1F 1363254670 QVNPBQVXKHRYME-CYBMUJFWSA-N 312.322 -0.023 30 20 DBED COC(=O)[C@]12CCC[C@H]1CN(C(=O)Cn1cnc(C#N)n1)C2 1363771986 DCJZNAQPCMJDOM-HZMBPMFUSA-N 303.322 -0.049 30 20 DBED COCC(=O)NCCC(=O)NC[C@H]1CCCN1C(=O)[C@H](C)C#N 1375535883 ROUXOWKXSWKECG-VXGBXAGGSA-N 324.381 -0.594 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)CCc1cnccn1 1376679800 WZLQBKFKRFFFKV-ZYHUDNBSSA-N 305.338 -0.838 30 20 DBED C[C@H](C#N)C(=O)NCC1CN(C(=O)[C@H]2CCCC(=O)N2C)C1 1387926585 TYQWDAKDKJWORW-ZYHUDNBSSA-N 306.366 -0.268 30 20 DBED Cc1nn(C)c(=O)c(C(=O)NCCN(C)C(=O)[C@@H](C)C#N)c1C 1387954191 OZUHFWYVXRTLLN-VIFPVBQESA-N 319.365 -0.255 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C)C(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1388037576 DBVHBPFWXJASSV-ZDEQEGDKSA-N 309.366 -0.228 30 20 DBED CC(=O)N(C)CC(=O)NC1CN(C(=O)c2c[nH]c(C#N)c2)C1 1389127452 PAHXCRAGDJPKCH-UHFFFAOYSA-N 303.322 -0.695 30 20 DBED CCN1CC[C@H](NC[C@@H](O)CNC(=O)c2cc(C#N)c[nH]2)C1=O 1401504925 LNXCBCUKQXHUAF-NEPJUHHUSA-N 319.365 -0.813 30 20 DBED CCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@]1(O)CCOC1 1417502133 KSOGXUWAGQOWIJ-SMDDNHRTSA-N 307.354 -0.279 30 20 DBED C[C@H](CNC(=O)Cn1cncn1)N(C)C(=O)c1cc(C#N)c[nH]1 1426829426 FRWSFNGNRXNXTD-SNVBAGLBSA-N 315.337 -0.245 30 20 DBED C[C@H](C#N)C(=O)N[C@@H](CNC(=O)C1(NC(N)=O)CC1)C1CC1 1427913419 UXDJEHVAZRYZMR-SCZZXKLOSA-N 307.354 -0.642 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(CC(=O)N2CCCCC2)C1 1440037649 IRENAAVGEWBXQJ-LBPRGKRZSA-N 308.382 -0.679 30 20 DBED CCn1ccc(CC(=O)N(C)C[C@H](O)CNC(=O)[C@H](C)C#N)n1 1444664668 PCRIAYXYXISFED-DGCLKSJQSA-N 321.381 -0.459 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CCCS2(=O)=O)C1 1447453973 ZBIILHWFMYWXEF-NAKRPEOUSA-N 313.379 -0.513 30 20 DBED COCCN(CCNC(=O)[C@H]1COCCO1)C(=O)[C@H](C)C#N 1452131193 ZYCHWOYSQUJQJC-VXGBXAGGSA-N 313.354 -0.847 30 20 DBED CO[C@H](C(=O)NC[C@H](O)CNC(=O)c1cc(C#N)c[nH]1)C1CC1 1452321868 DCZNIVNIZFPCLO-YPMHNXCESA-N 320.349 -0.482 30 20 DBED C[C@H](NC(=O)CCn1cc(C#N)c(O)nc1=O)c1nccn1C 1454240792 JDLIKVQHFUWNSE-VIFPVBQESA-N 316.321 -0.178 30 20 DBED Cn1cc(C(=O)NCC2(NC(=O)c3cc(C#N)c[nH]3)CC2)nn1 1535241597 OUGNIQJJVZTNJJ-UHFFFAOYSA-N 313.321 -0.293 30 20 DBED C[C@@H]1C[C@@]1(C(=O)O)C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1574281198 XTWVPIFAYPXDGE-PSJXJDHFSA-N 312.347 -0.506 30 20 DBED N#CCN1CCN(c2ncc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 1581858174 TXAGUZSAYWMYDA-UHFFFAOYSA-N 315.297 -0.185 30 20 DBED C#CCn1cc(CNc2cnc(-c3nn[nH]n3)c(C#N)n2)cn1 1588363814 CLDUEDUJIONCBW-UHFFFAOYSA-N 306.293 -0.030 30 20 DBED C#C[C@@H](CC)NC(=O)N1CCN([C@]2(C(=O)O)CCOC2)CC1 1588369207 FKBDMNZDWJIFQP-SWLSCSKDSA-N 309.366 -0.031 30 20 DBED C#CCN(CC(=O)O)c1nnc(-c2nc(CO)cs2)n1C 1588426375 HSINFGHXXGPADI-UHFFFAOYSA-N 307.335 -0.045 30 20 DBED C#CCCCNC(=O)C(=O)N1CC[C@H](n2cc(C(=O)O)nn2)C1 1588446413 KVNGJVXLZOELEN-JTQLQIEISA-N 319.321 -0.721 30 20 DBED C#CCN1CCC(C(=O)OCCc2cn(CC(=O)O)nn2)CC1 1588476959 SRUGLXZMOPXOLW-UHFFFAOYSA-N 320.349 -0.206 30 20 DBED C=CCOC[C@@H](NC(=O)C(C)(C)NS(C)(=O)=O)C(=O)O 1588850810 FYKVNYVTOFMYHB-MRVPVSSYSA-N 308.356 -0.914 30 20 DBED C=CCOC[C@H](NC(=O)CN(C)S(=O)(=O)CC)C(=O)O 1588854313 VPSNJHOVOCOFDV-VIFPVBQESA-N 308.356 -0.960 30 20 DBED C=CCOC[C@H](NC(=O)[C@H](c1cncn1C)N(C)C)C(=O)O 1588855366 FNPQIHCWOAZDRE-JQWIXIFHSA-N 310.354 -0.205 30 20 DBED C[C@H](C(=O)N(C)c1ccc(-c2nn[nH]n2)nc1)n1cnc(C#N)n1 1588942483 AHDVINWTRRDTFD-MRVPVSSYSA-N 324.308 -0.051 30 20 DBED CC(C)NC(=O)[C@@H](C#N)C(=O)[C@H](C)n1cnc(-c2nn[nH]n2)n1 1589719756 FWMFLHMEWZLKGJ-YUMQZZPRSA-N 317.313 -0.747 30 20 DBED COC(=O)[C@H]1C[C@H](C(=O)O)CCN1C(=O)Cn1cnc(C#N)n1 1598747126 WGBXQWJKJJMGHL-RKDXNWHRSA-N 321.293 -0.985 30 20 DBED N#C[C@H]1COCCN1S(=O)(=O)c1csnc1C(=O)O 1601062742 JKYPPRGSZYSNKC-LURJTMIESA-N 303.321 -0.246 30 20 DBED CO[C@@H]1COCC[C@@H]1CNc1cnc(C#N)c(-c2nn[nH]n2)n1 1605036100 DUZZYQOBVHBKSO-PSASIEDQSA-N 316.325 -0.008 30 20 DBED O=C(O)CN1CCC[C@H](C(=O)NCC#C[C@@H]2CCCCO2)C1=O 1606250139 JKYKYBXJOPVHNV-QWHCGFSZSA-N 322.361 -0.002 30 20 DBED C[C@H]1CN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)CC[C@H]1C(=O)O 1607466226 DAYZONUBHUCKDQ-FIXISWKDSA-N 323.349 -0.567 30 20 DBED C[C@H](C(N)=O)N1CCN(CCNC(=O)C#CC(C)(C)C)CC1 1752365789 KBTKYUGZYYXHMQ-CYBMUJFWSA-N 308.426 -0.357 30 20 DBED CC#CCN1CCN(CCNC(=O)c2cnnc(O)c2)CC1 1752367445 NVXUKVRSZYYECJ-UHFFFAOYSA-N 303.366 -0.447 30 20 DBED COCC#CCNC[C@@H]1CCCN(C(=O)[C@H]2CCC(=O)NC2)C1 1752801317 KFVPLALDSGRJLU-GJZGRUSLSA-N 321.421 -0.009 30 20 DBED COCC#CCN1CCCC[C@H]1CNC(=O)CCNC(N)=O 1752824808 DUSFLCWQUSDHLY-ZDUSSCGKSA-N 310.398 -0.335 30 20 DBED C=CCNC(=O)NC(=O)CN[C@@H](C)CNC(=O)[C@H](O)C(C)C 1752868962 ALUFYDYBFKIQLU-CMPLNLGQSA-N 314.386 -0.891 30 20 DBED C#CCNC(=O)CN(C)CCNC(=O)CCc1ccn(C)n1 1753050194 GUUFSGARADEEAL-UHFFFAOYSA-N 305.382 -0.850 30 20 DBED C#CCNC(=O)CN1CC[C@H](CNC(=O)C[C@H]2CCN(C)C2)C1 1753138022 PMNQKHZSEZXGMD-HUUCEWRRSA-N 320.437 -0.484 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1CN(Cc2ncnn2CCF)C1 1753403522 YLJOGUQWKXWNJU-LBPRGKRZSA-N 323.372 -0.166 30 20 DBED C#CCNC(=O)CN1CC[C@@H](N(CC)C(=O)Cc2cc[nH]n2)C1 1753454881 OZIIEMKWGDBPFH-CQSZACIVSA-N 317.393 -0.376 30 20 DBED C=CCN1CCO[C@@H](CNC(=O)CNC(=O)N2CCCC2)C1 1753648247 BXNIQVANPXXRNS-ZDUSSCGKSA-N 310.398 -0.205 30 20 DBED C=CCNC(=O)CNC[C@H](C)N(C)C(=O)[C@@H]1CN(C)CCO1 1753687241 JOZXYLSJKQOLPR-STQMWFEESA-N 312.414 -0.944 30 20 DBED C#CCNC(=O)CNC[C@@H](C)N(C)C(=O)Cc1cncs1 1753698105 WQALUKIQMQLAPI-LLVKDONJSA-N 308.407 -0.129 30 20 DBED C#CCNC[C@H](O)CNC(=O)[C@@H]1CCCC[C@@H]1N1CCCC1=O 1753914216 PYHJEKJXIHJAGK-ZNMIVQPWSA-N 321.421 -0.133 30 20 DBED C=CCCOCC(=O)N[C@@]1(C)CCN([C@@H]2CCC(=O)NC2=O)C1 1754684976 BKQGZCKMMGZULL-WBMJQRKESA-N 323.393 -0.035 30 20 DBED C=C(C)CN1CC[C@@](O)(CNC(=O)CCCS(C)(=O)=O)C1 1754760371 OOCNLLDUHNJUJJ-CQSZACIVSA-N 318.439 -0.060 30 20 DBED Cc1cc(C(=O)N2CCO[C@H](CNCC(=O)NCC#N)C2)co1 1754999324 GLGYZWOZYKCIOK-CYBMUJFWSA-N 320.349 -0.342 30 20 DBED CC(C)(C)C#CC(=O)NC[C@@H]1CCC2(CN(CC(N)=O)C2)O1 1755054802 VUADRDDAIXGCOD-LBPRGKRZSA-N 307.394 -0.129 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)[C@@H](C)NC(=O)CC)C2)C1 1755402507 UWMJEEQJUVLOQI-CZUORRHYSA-N 307.394 -0.162 30 20 DBED CCOCCC(=O)N1CC2(CCCN(CC(=O)NCC#N)C2)C1 1755455066 ZOFMQRZIWLAIJC-UHFFFAOYSA-N 322.409 -0.023 30 20 DBED C=CCN1CC[C@H](N[C@H](CO)CNC(=O)c2ocnc2C)C1=O 1755626607 JJSVZJZQHDXMFZ-RYUDHWBXSA-N 322.365 -0.550 30 20 DBED CC#CCN[C@H](CO)CNC(=O)[C@@H]1CCCN1c1ncccn1 1755631899 MTCAIUJJMRAEGP-KBPBESRZSA-N 317.393 -0.465 30 20 DBED C#CCNC(=O)CNC[C@@H]1CC[C@H](NC(=O)c2n[nH]cc2F)C1 1755743956 PXLQEVQISRYIKV-MNOVXSKESA-N 321.356 -0.214 30 20 DBED C=CCOCC(=O)N[C@@H]1c2ccccc2C[C@H]1NC(=O)C(N)=O 1755905728 VQPOUQYRVLGERN-TZMCWYRMSA-N 317.345 -0.427 30 20 DBED C=CCCC(=O)N(C)[C@H](C)CNC(=O)c1cn(CC(N)=O)nn1 1756036824 XWGJUUODWLWTOG-SNVBAGLBSA-N 322.369 -0.694 30 20 DBED CC(C)C#CC(=O)N1C[C@@H]2C(CNC(=O)[C@@H]3COCCO3)[C@H]2C1 1756190927 CEZLYTACNHFPPB-KFWWJZLASA-N 320.389 -0.118 30 20 DBED CC(C)(C)C#CC(=O)NC[C@@H](CO)NC(=O)[C@@H]1CCCNC1=O 1756519578 LHSFIMAYJQPSOC-NWDGAFQWSA-N 323.393 -0.845 30 20 DBED C#Cc1cncc(C(=O)NC[C@@H](CO)NC(=O)[C@H](C)OCC)c1 1756547973 HFBZBCWJHXYMEK-FZMZJTMJSA-N 319.361 -0.305 30 20 DBED C=C(C)C(C)(C)C(=O)N[C@H](CO)CNC(=O)[C@H]1C[C@H]1C(N)=O 1756550194 PUEZFJPYYVODTG-AXFHLTTASA-N 311.382 -0.697 30 20 DBED CC(C)C#CC(=O)N(C)C[C@@H](O)CN(C)C(=O)c1cn(C)cn1 1756686227 RPIAEDFUGQUDEG-CYBMUJFWSA-N 320.393 -0.029 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(C(=O)CNC(=O)NC)C[C@H]1OC 1757125272 MYAHDSGTCHESQE-VXGBXAGGSA-N 324.381 -0.939 30 20 DBED CO[C@@H]1CN(C(=O)C#CC(C)C)C[C@H]1NC(=O)c1nonc1C 1757135129 XFDAAYRVTGXNPW-VXGBXAGGSA-N 320.349 -0.007 30 20 DBED C#CCCCCC(=O)N[C@@H]1CN(C(=O)Cn2ccnc2)C[C@@H]1O 1757167800 WLKSAMICKAOWFR-KGLIPLIRSA-N 318.377 -0.235 30 20 DBED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)C1CCC1)CCO2 1783561176 IUIXLPHYPNTFIQ-MRXNPFEDSA-N 320.345 -0.296 30 20 DBED CC[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC#N)C[C@@H]21 1783955078 ZROORQBNJVIDST-RVMXOQNASA-N 309.366 -0.349 30 20 DBED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccon3)C[C@@H]21 1790790978 QNJGPCLKTSXOHV-GVXVVHGQSA-N 303.318 -0.099 30 20 DBED C[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc[nH]n1 1793507852 BKOFQKNWDQRNKL-MWGHHZFTSA-N 324.406 -0.069 30 20 DBED C[C@@H](CN)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C#CC(=O)O)C2 1795960678 KFFFZEWZOBZOHC-YFKTTZPYSA-N 307.350 -0.693 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cncn1C)C2 1800451286 VNFYVQYPQMPRMX-GNXNZQSNSA-N 302.334 -0.744 30 20 DBED CC(C)(C#N)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CNC(N)=O 1847350554 ZIQGNSZHUZYPTI-UWVGGRQHSA-N 307.354 -0.594 30 20 DBED CN(CCC#N)S(=O)(=O)N1CCN(c2cnccn2)CC1 28057418 NZWHDLBQINVUIK-UHFFFAOYSA-N 310.383 -0.311 30 20 DBED CCN(CCC#N)C(=O)CN1CCN(CC(=O)NC2CC2)CC1 51908251 BMLIIGTUHOOEPJ-UHFFFAOYSA-N 321.425 -0.355 30 20 DBED N#CCOc1cccc(CC(=O)N2CCN(CC(N)=O)CC2)c1 89786514 MCZBZXRBSMNOGS-UHFFFAOYSA-N 316.361 -0.239 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)c2ccccn2)CC1 139008002 PWXNYPNRASYQTL-UHFFFAOYSA-N 300.362 -0.021 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1CCn2cncc2C1 289498149 JPUFISBEHYDONP-UHFFFAOYSA-N 313.383 -0.194 30 20 DBED C=C[C@H](CO)NC(=O)Cn1cc(Br)c(O)nc1=O 290662042 RWAWUVZMQPSZQF-ZCFIWIBFSA-N 318.127 -0.626 30 20 DBED C=C[C@H](CO)NC(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1 290729363 YLMGSPRISOPNBB-ZWNOBZJWSA-N 320.324 -0.091 30 20 DBED CC/N=C(/O)N1CC[C@H](N/C(O)=N/CCN2CCOCC2)C1 329928259 XUSBHSNJFPMVHD-LBPRGKRZSA-N 313.402 -0.170 30 20 DBED CC[C@H](N/C(O)=N/CC(F)(F)CO)C(=O)N1CCOCC1 331000928 QKYCDLGHLZMWOO-VIFPVBQESA-N 309.313 -0.245 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC[C@@H](OCCO)C1 337082400 ZPEFXRRYZVIWQP-NWDGAFQWSA-N 305.400 -0.204 30 20 DBED COCCN(CCC#N)S(=O)(=O)NC[C@@H]1CCCC(=O)N1 337147635 GOLNKIZIYWYXEH-NSHDSACASA-N 318.399 -0.648 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2C=C[C@H](CO)C2)C1=O 341926719 VNGLAKCCPWQEHL-UWVGGRQHSA-N 307.306 -0.984 30 20 DBED CC(C)[C@@H](C#N)NC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 343634094 FXDZZIHNCVBAMV-UONOGXRCSA-N 322.409 -0.169 30 20 DBED N#CCNC(=O)CNC(=O)NCCn1c(=O)oc2ccccc21 344784199 BHCYFPZVNMPUBZ-UHFFFAOYSA-N 317.305 -0.467 30 20 DBED C[C@@H](C#N)S(=O)(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 352412860 JNGZKZMZIMLNQM-RYUDHWBXSA-N 315.395 -0.201 30 20 DBED C=CCN(CC=C)C(=O)[C@@H](C)N1CC[C@@H](S(N)(=O)=O)C1 357387233 FPBIZFBCCXKJJQ-VXGBXAGGSA-N 301.412 -0.062 30 20 DBED N#Cc1cccc(CNC(=O)CSc2nc(=N)[nH]c(=N)[nH]2)c1 357691557 QFGJPBIZBGLLPY-UHFFFAOYSA-N 315.362 -0.023 30 20 DBED C#CCNC(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 373119957 CWJLEIZAHKQJIW-LBPRGKRZSA-N 315.395 -0.544 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@H](CN)CCCC)C1=O 420115825 FRCCTPPIEYVWFQ-QWHCGFSZSA-N 324.425 -0.135 30 20 DBED N#Cc1cc(NC(=O)C(=O)NCCOCC(N)=O)ccc1Cl 441874529 OWMRLDSQMLWXHR-UHFFFAOYSA-N 324.724 -0.232 30 20 DBED CN(CCC#N)S(=O)(=O)NCC1CCN(CCO)CC1 443293680 JZRZFZLLYWKDKM-UHFFFAOYSA-N 304.416 -0.629 30 20 DBED N#C[C@H]1CN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)CCO1 517984982 BTRWRDUHFXMKKH-QMMMGPOBSA-N 312.307 -0.029 30 20 DBED N#Cc1ccc(=O)n(CC(=O)N2CCN(C(=O)C3CC3)CC2)c1 568650123 ZDRCTWUWKQCLHY-UHFFFAOYSA-N 314.345 -0.199 30 20 DBED C=CCOC[C@H](NC(=O)c1cccc(C(N)=O)n1)C(=O)OC 574252423 VMKBQKIFNQLDAJ-NSHDSACASA-N 307.306 -0.346 30 20 DBED C[C@H](CO)CNC(=O)CNS(=O)(=O)c1cccc(C#N)c1 589453296 QOMJWZJEZKFWNZ-JTQLQIEISA-N 311.363 -0.419 30 20 DBED N#CCCn1ccc(NC(=O)N2CC(N3CC[C@@H](O)C3)C2)n1 593163118 UOANPRQXMFEBGZ-GFCCVEGCSA-N 304.354 0.079 30 20 DBED N#C[C@H]1CSCCN1C(=O)[C@H]1CCCN(S(N)(=O)=O)C1 597475149 IFKPMSPODZTAIQ-UWVGGRQHSA-N 318.424 -0.631 30 20 DBED CC(C)Oc1cncc(S(=O)(=O)NCC(=O)NCC#N)c1 599305621 ADWTZXFUBLXOHP-UHFFFAOYSA-N 312.351 -0.213 30 20 DBED COC(=O)C[C@@H](O)CNC(=O)C(=O)Nc1ccc(C#N)cc1F 600057660 HDJDSYRCJSGZFH-SECBINFHSA-N 323.280 -0.324 30 20 DBED CN1CCN(C[C@@H](O)COc2ccccc2C#N)[C@H](CO)C1 602905440 NZGLIEYTVAGHJJ-LSDHHAIUSA-N 305.378 -0.094 30 20 DBED C=C[C@@](C)(O)C(=O)NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 612182392 WCTDCGARGDDLDM-BGCDDMGFSA-N 304.346 -0.153 30 20 DBED CC#CC[C@H](CO)NC(=O)c1ccc(S(=O)(=O)NC)o1 649190385 ZGDHOGVSEKFXJD-SECBINFHSA-N 300.336 -0.308 30 20 DBED N#CCNC(=O)COC(=O)CCNC(=O)OCC(F)(F)F 731242959 WBVINLNFBGKHDO-UHFFFAOYSA-N 311.216 -0.152 30 20 DBED N#Cc1cccnc1N1CCN(CCC(=O)NCC(=O)O)CC1 739142509 OISWYFLXOZQXGJ-UHFFFAOYSA-N 317.349 -0.334 30 20 DBED C#CCNC(=O)CON=C1C(=O)Nc2cc3c(cc21)OCCO3 747829146 ZFOFHBAOWMHFNC-UHFFFAOYSA-N 315.285 -0.120 30 20 DBED CCN1CCN(CC(=O)Nc2cc(C#N)ccc2O)C(=O)C1=O 748410390 KCBHFNPGBXUCKO-UHFFFAOYSA-N 316.317 -0.107 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)c2ccnnc2C)CC1 753565572 KZBYFVKIBNXNQJ-UHFFFAOYSA-N 315.377 -0.318 30 20 DBED COC[C@@H](C#N)OC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 785024414 LUIZKCPJNTYTJA-SECBINFHSA-N 323.330 -0.193 30 20 DBED CCCCOC(=O)CNS(=O)(=O)N1CCO[C@H](C#N)C1 800055998 OMIZVOVLIDQURX-SNVBAGLBSA-N 305.356 -0.612 30 20 DBED C#CCCCNC(=O)C(=O)N1CCN(c2nccnc2C)CC1 806912146 KLBXUDRWQZCCNR-UHFFFAOYSA-N 315.377 -0.037 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCOC[C@@H]1C1CC1)[C@@H]1CCCO1 809305508 FAROKMIKICJUEZ-MJBXVCDLSA-N 306.362 -0.079 30 20 DBED COC(=O)[C@@H]1[C@H]2CN(C(=O)NCCn3cnc(C#N)n3)C[C@H]21 813751938 RINDSDNHGHYISY-JZYVYDRUSA-N 304.310 -0.790 30 20 DBED C#CCOCCNS(=O)(=O)Cc1cccc(-c2nn[nH]n2)c1 823856551 SXZQYMOYNZDSAW-UHFFFAOYSA-N 321.362 -0.064 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2ccnn2CCC)CC1 825966952 DRNOSOFCEQFSMX-UHFFFAOYSA-N 317.393 -0.200 30 20 DBED Cc1nc2ncnn2c(C)c1CCC(=O)N[C@@H]1CNC[C@@H]1C#N 834511553 MGJGDKNNDKWTDD-WCQYABFASA-N 313.365 -0.098 30 20 DBED C=CCn1cc(C(=O)NS(=O)(=O)CCC(=O)OC)nn1 842797514 KFSCLWKDLAOYQT-UHFFFAOYSA-N 302.312 -0.913 30 20 DBED CNC(=O)[C@@H](O)CNCCS(=O)(=O)c1ccc(C#N)cc1 843112490 YEWMWSYKDCALKC-LBPRGKRZSA-N 311.363 -0.972 30 20 DBED C#C[C@H](C)NS(=O)(=O)CCCS(=O)(=O)N(C)[C@H](C)C#N 848964513 AHQIRAWUPRXIKI-WDEREUQCSA-N 321.424 -0.509 30 20 DBED C#C[C@@](C)(CC)NCC(=O)N1CCN(CC(=O)N(C)C)CC1 852098570 QGIORDOAZJPXTN-INIZCTEOSA-N 308.426 -0.390 30 20 DBED C#CCO[C@H](C)C(=O)N1CCCC[C@H]1CNS(N)(=O)=O 854839474 IIISLOVIUOTAPH-MNOVXSKESA-N 303.384 -0.801 30 20 DBED C#CC[C@@H](CCOC)NC(=O)N1CCN(S(C)(=O)=O)CC1 859023739 CXAJPDPGKDKIOG-LBPRGKRZSA-N 317.411 -0.298 30 20 DBED C#CCNC(=O)CN1CCN(Cc2ccc(Cl)nn2)CC1 876687396 IQYOUIGWWRTADA-UHFFFAOYSA-N 307.785 -0.003 30 20 DBED C#CCN1CCC[C@@H](NC(=O)NCC(=O)N2CCOCC2)C1 884258415 UPNYMEFLAGIIJJ-CYBMUJFWSA-N 308.382 -0.758 30 20 DBED O=C(NCC#CCO)NCc1ccc(N2CCOCC2)nc1 923779623 BYDCKWWWPJHWEZ-UHFFFAOYSA-N 304.350 -0.287 30 20 DBED CN1CCN(c2cc(CNC(=O)NCC#CCO)ccn2)CC1 923787463 KVAMXNQBMSTEIH-UHFFFAOYSA-N 317.393 -0.372 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCOC[C@@H]1COC)[C@H]1CCCO1 930466956 MYGSKWZIDMQKKA-RWMBFGLXSA-N 310.350 -0.843 30 20 DBED C[C@H](C#N)C(=O)N1CCCN(C(=O)[C@@H]2CN(C)C(=O)N2)CC1 941834885 RQYIDIVPUBOPRW-MNOVXSKESA-N 307.354 -0.769 30 20 DBED COc1nc(C(=O)NC[C@H]2CN(C(=O)[C@H](C)C#N)CCO2)co1 944683062 ZBWDYUSPPGVLFT-ZJUUUORDSA-N 322.321 -0.200 30 20 DBED O=C1NCC[C@H]1C(=O)NCC1CCN(C(=O)C#CC2CC2)CC1 948920823 MUMSAYIRKIBVCU-CQSZACIVSA-N 317.389 -0.109 30 20 DBED C#CCN1CCOC2(CCN(C(=O)C[C@H]3CCNC3=O)CC2)C1 949386112 SMLXGVWIIJHDNB-CQSZACIVSA-N 319.405 -0.161 30 20 DBED C=CCN1CCOC2(CCN(C(=O)c3nnn(C)n3)CC2)C1 949436838 DBIWCAKHBBOPQX-UHFFFAOYSA-N 306.370 -0.297 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC(N(C)C(=O)C(N)=O)CC1 954260592 PZJRKLKQXYGVFX-OLZOCXBDSA-N 323.393 -0.098 30 20 DBED C=CCN1C[C@@H](O)[C@H](CNC(=O)c2cnc3[nH]nnc3c2)C1 958135283 LJGMIHRTAPDBSO-ZYHUDNBSSA-N 302.338 -0.439 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2ccn(CC(F)F)n2)C1 958163926 HBMFUAQPHPYREI-PWSUYJOCSA-N 312.320 -0.196 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2ccncc2)C1 958428604 HCQSJJSGHXBSJD-DRZSPHRISA-N 302.334 -0.115 30 20 DBED Cc1cc(C(=O)N(C)[C@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)cnn1 958833073 LEDTWCWVDDAOLD-ICCXJUOJSA-N 317.349 -0.412 30 20 DBED C#CCCN1C[C@H]2[C@H](NC(=O)[C@H]3CCN(C)S3(=O)=O)[C@H]2C1 962013975 XUSYMYZCUXFZRF-XQHKEYJVSA-N 311.407 -0.910 30 20 DBED N#CCN1C[C@H]2[C@H](NC(=O)c3ccc4c(c3)C(=O)NC4=O)[C@H]2C1 962340776 IHRKWSCIUQZQGC-ITGUQSILSA-N 310.313 -0.246 30 20 DBED Cc1ccnn1CC(=O)N[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1O 963169555 RKJKWAMKMSPTQT-JLLWLGSASA-N 305.338 -0.961 30 20 DBED C[C@H](C#N)C(=O)N1CCOC2(C1)CN(C(=O)[C@H]1CCCN1C)C2 965475925 YWTGPNOXMFMOAH-CHWSQXEVSA-N 320.393 -0.320 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(C[C@H](NC(=O)c3csnn3)CO2)C1 965746872 BVSGAIPJPBYUSO-IUCAKERBSA-N 321.362 -0.203 30 20 DBED C=CCNC1CC2(C1)CC(NC(=O)Cn1c(O)nnc1O)C2 965885576 ABSVGCZUHVUDLQ-UHFFFAOYSA-N 307.354 -0.108 30 20 DBED C#CCCN1CC[C@@H](C)[C@@H](NC(=O)CN2CCNC(=O)C2)C1 967727851 XLZSSQZFEJEPSZ-KGLIPLIRSA-N 306.410 -0.732 30 20 DBED C[C@@H]1CCN(CC#N)C[C@@H]1NC(=O)c1cn(C)c(=O)n(C)c1=O 968374030 KPCOSLCFYWMDJM-PWSUYJOCSA-N 319.365 -0.952 30 20 DBED C#CCN(C)[C@H]1CCN(C(=O)[C@@H]2CCc3nnnn3CC2)C1 972384371 IKZIVNQTCYFYJL-OLZOCXBDSA-N 302.382 -0.209 30 20 DBED COc1ccc(C(=O)N2CC[C@]3(CN(CC#N)CCO3)C2)nn1 972627550 JMHACRLGCHETNN-HNNXBMFYSA-N 317.349 -0.074 30 20 DBED C=C1CC(C)(C(=O)N[C@H]2C[C@@H](NC(=O)Cn3cnnn3)C2)C1 973857357 LNYNZXRPBHMMHA-PHIMTYICSA-N 304.354 -0.207 30 20 DBED CC(=O)N1CCC[C@@H]1C(=O)N[C@H]1[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]21 976705542 KBSGHMVYOGVJAN-DDNMXHNFSA-N 318.377 -0.270 30 20 DBED C#CCCN1C[C@@H](NC(=O)C[C@H]2CC(=O)NC2=O)C(C)(C)C1 977685014 SVQDSJLILDDPSN-NWDGAFQWSA-N 305.378 -0.111 30 20 DBED CN1C[C@@H](C(=O)N(C)C[C@H]2CCN2C(=O)C#CC2CC2)NC1=O 978148504 QONGIFGDWNLVTN-OLZOCXBDSA-N 318.377 -0.517 30 20 DBED CC#CCN1C[C@@H]2C(CNC(=O)[C@@H]3CN(C(C)=O)CCO3)[C@H]2C1 979010612 DHHXPCDNMJSXPJ-OAGGEKHMSA-N 319.405 -0.449 30 20 DBED C[C@H]1C[C@H](CNCc2nc(=O)n(C)[nH]2)CN1C(=O)C#CC1CC1 980575634 QUKFZFFVEYETGD-WCQYABFASA-N 317.393 -0.152 30 20 DBED C[C@H]1[C@@H](NCC#N)CCN1C(=O)c1cn(CC(=O)N(C)C)nn1 987573416 AXKGMPONUBZVMD-QWRGUYRKSA-N 319.369 -0.918 30 20 DBED CN(CC1CCN(C(=O)C(N)=O)CC1)C(=O)c1ccc(C#N)[nH]1 988619482 LFMKKNOMRHQDTI-UHFFFAOYSA-N 317.349 -0.318 30 20 DBED C#CCN1CCC[C@H](NC(=O)c2cnc(O)n(C)c2=O)[C@@H]1C 993686697 XJGODYOVSXWTOD-JQWIXIFHSA-N 304.350 -0.298 30 20 DBED C=CCn1cccc1C(=O)NC1CN(C(=O)[C@@H]2CNC(=O)N2)C1 994197629 JFQNBSGWIBCJIP-NSHDSACASA-N 317.349 -0.704 30 20 DBED C#CCN1CCC[C@H](NC(=O)c2cn(C)c(=O)nc2O)[C@H]1C 994415683 OPAIFZMRCWDLAT-PWSUYJOCSA-N 304.350 -0.298 30 20 DBED C[C@@H](NC(=O)[C@@H]1CC(=O)NC(=O)N1)C1CCN(CC#N)CC1 997333954 QSLSVUVDABSEPG-KOLCDFICSA-N 307.354 -0.675 30 20 DBED C#CCN1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCOC3)nn2)C1 999964323 YUONQGTZSQEDKN-TZMCWYRMSA-N 303.366 -0.189 30 20 DBED N#CCN1CC[C@@H](n2cc(CNC(=O)c3ncccn3)nn2)C1 1000029989 PNVOJWNDCDNDHC-GFCCVEGCSA-N 312.337 -0.232 30 20 DBED COc1cncc(C(=O)NCC2CN(C(=O)[C@@H](C)C#N)C2)n1 1001876501 GDWZPOJNTKCDHW-VIFPVBQESA-N 303.322 -0.167 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](NC(=O)c2cn(C)nn2)C(C)(C)C1 1008102127 GFDHGRKPOIXUEB-KOLCDFICSA-N 304.354 -0.058 30 20 DBED C[C@@H]1C[C@@H](NC(=O)c2cnn(C)n2)CN1C(=O)C#CC1CC1 1012579985 AUVQWKRBMUKLHF-ZYHUDNBSSA-N 301.350 -0.052 30 20 DBED C=C(C)CCN1CC[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 1015788045 AICZXZWNOPZECH-LBPRGKRZSA-N 320.393 -0.146 30 20 DBED N#CCN1CCC2(CC1)C[C@@H]2NC(=O)CN1C(=O)CCC1=O 1016964136 YWDQVERZHOWSKO-NSHDSACASA-N 304.350 -0.370 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)C23CCCN2CCC3)C1 1024743773 GENTUEJJAVUFNC-YNEHKIRRSA-N 320.393 -0.538 30 20 DBED CCN1CC[C@H](N2CC(NC(=O)c3ccc(C#N)[nH]3)C2)C1=O 1030225423 XSXYGKCLJJWNPU-ZDUSSCGKSA-N 301.350 -0.079 30 20 DBED C#CCOc1ncccc1C(=O)NC1CN([C@H](C)C(=O)NC)C1 1031276402 ZIXZWUOGVVFENW-LLVKDONJSA-N 316.361 -0.358 30 20 DBED C#CCN1CCC(C(=O)NC2CN(CC(=O)NC3CC3)C2)CC1 1031436956 SLSOWPUMSHEHGM-UHFFFAOYSA-N 318.421 -0.589 30 20 DBED C#CCN1CCCC[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)C1 1034487528 QBLHISPWBGIGRL-LLVKDONJSA-N 314.349 -0.365 30 20 DBED C#Cc1cncc(C(=O)NC[C@H]2CCN2CC(=O)N(C)C)c1 1038685751 XBQZWSCYRGGSBX-CQSZACIVSA-N 300.362 -0.045 30 20 DBED CC(C)(O)CC(=O)NC[C@@]1(O)CCN(C(=O)C#CC2CC2)C1 1039588510 HAEDTBZDZOEXOS-INIZCTEOSA-N 308.378 -0.360 30 20 DBED C=CCN1CC[C@@H](N2[C@H]3CCC[C@H]2CN(C(=O)C(N)=O)C3)C1=O 1039882815 SYQKEHAOGIJMBU-RWMBFGLXSA-N 320.393 -0.676 30 20 DBED C=CCCC(=O)N1CC[C@](O)(CNC(=O)c2c[nH]c(=O)cn2)C1 1040715614 IYLZDLRDNGXWCZ-HNNXBMFYSA-N 320.349 -0.571 30 20 DBED COCC1(C(=O)N2CC[C@](O)(CNC(=O)[C@@H](C)C#N)C2)CC1 1040760864 AIMPXUSYTWPIBU-NHYWBVRUSA-N 309.366 -0.348 30 20 DBED Cc1ocnc1C(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1O 1040928654 QWXJLDXWTCSHHL-GHMZBOCLSA-N 314.305 -0.376 30 20 DBED C=CCN1CC[C@@]2(CCN(C(=O)Cn3ncn(C)c3=O)C2)C1 1041420668 DCKLZELOOLFFFK-OAHLLOKOSA-N 305.382 -0.308 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)c2cnnc(O)c2)C1 1041963004 DKRKUFSGYQNQEA-UHFFFAOYSA-N 306.322 -0.549 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)C[C@@H](C)OC)C1 1043039857 KHJRCQISWSTSGS-NEPJUHHUSA-N 312.366 -0.861 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)c2cc(C)co2)C1 1043043297 HISHKDZVOMVQKU-GFCCVEGCSA-N 320.345 -0.071 30 20 DBED C=CCn1cc(C(=O)NCC2(O)CN(C(=O)C3CCC3)C2)nn1 1043104850 DCRXYADPNVRWNI-UHFFFAOYSA-N 319.365 -0.433 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)[C@H](C2CC2)N(C)C)C1 1043461739 FXBMNNITYVPGEP-HNNXBMFYSA-N 321.421 -0.180 30 20 DBED C=CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)[C@@H](CC)OC)C1 1043570368 HHNSVGUNRZKCDP-NWDGAFQWSA-N 314.382 -0.308 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)C[C@H]2CCC(=O)N2)C1 1043847480 RRXYOUKFQHQXOW-GFCCVEGCSA-N 321.377 -0.996 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)C23CCN(CC2)C3)C1 1044024106 ZKWAKFQIXVBEIP-UHFFFAOYSA-N 307.394 -0.262 30 20 DBED C[C@]1(C(=O)N[C@@H]2CN(c3cncc(C#N)n3)C[C@@H]2O)CCOC1 1044144341 HSXYOHGMUFCTBR-XUJVJEKNSA-N 317.349 -0.559 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)CC(=O)NCC)C1 1044455460 DOFBJWSGCAYXMA-UHFFFAOYSA-N 311.382 -0.586 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)c2cnn(C)n2)C1 1044459712 AOKNPDPWPLGJKP-UHFFFAOYSA-N 307.354 -0.670 30 20 DBED C[C@H]1CCN(CC(=O)NCC2(O)CN(C(=O)[C@@H](C)C#N)C2)C1 1046677076 OTDJGGFQOQUGSO-RYUDHWBXSA-N 308.382 -0.823 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 1046704446 HDDDQPWXEBDAMC-NEPJUHHUSA-N 323.393 -0.456 30 20 DBED C=CCCCC(=O)N1CC(O)(CNC(=O)Cn2cncn2)C1 1046871437 QXYGFZJTSAYHMM-UHFFFAOYSA-N 307.354 -0.676 30 20 DBED C#CCN1C[C@H]2C[C@H](NC(=O)CN3CC(=O)N(C)C3=O)C[C@H]1C2 1047181246 HVHPEULVOHPDAO-RWMBFGLXSA-N 318.377 -0.517 30 20 DBED CN1C(=O)CN(CC(=O)N[C@H]2C[C@H]3C[C@@H](C2)N(CC#N)C3)C1=O 1047181488 MWDSAWFORAIJSD-SRVKXCTJSA-N 319.365 -0.627 30 20 DBED CC(C)C#CC(=O)N1C[C@H]2C[C@@H](NC(=O)CNC(N)=O)C[C@H]1C2 1047304403 YTDPATYGHBODQC-YNEHKIRRSA-N 320.393 -0.190 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC(=O)N2C)C1 1047498974 RVGIKWQLCNBBAX-WOPDTQHZSA-N 315.801 -0.137 30 20 DBED C=CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C(N)=O)c[nH]2)C1 1047577109 ZKZREEVECLBGRK-STQMWFEESA-N 306.366 -0.193 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3nncn3C2)C1 1047639375 UMTSCVHGSWHUDQ-RDBSUJKOSA-N 317.393 -0.633 30 20 DBED C=CCO[C@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)OC)C1 1048424517 FVMWVBIFHUYUOD-RNJOBUHISA-N 314.382 -0.358 30 20 DBED C#CCN1C[C@H]2CN(C(=O)c3cc(=O)n4[nH]cnc4n3)C[C@H]2C1 1049170523 WDYQMLMSDCDWKY-PHIMTYICSA-N 312.333 -0.945 30 20 DBED C=C(C)C[C@H](C)C(=O)N(C)[C@H]1CN(C(=O)CC(N)=O)C[C@@H]1O 1049267715 BOZZGMXRIKHAIJ-SRVKXCTJSA-N 311.382 -0.506 30 20 DBED Cc1ccc(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)C#N)C2)nn1 1049394933 OYELXAAQDFFCRT-XDTLVQLUSA-N 317.349 -0.412 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)Cn2ccnc2)C[C@@H]1O 1049408738 UTFKNOVGBYOIBB-SRVKXCTJSA-N 305.338 -0.927 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H]([C@H](C)NC(=O)CCOC)C1 1050492922 VTWSBQLGHMWADM-STQMWFEESA-N 323.393 -0.484 30 20 DBED N#CCN1CCC2(CC1)CN(C(=O)c1nccnc1C(N)=O)C2 1050748504 PWYJMBHQFCONKT-UHFFFAOYSA-N 314.349 -0.363 30 20 DBED C=CCCN1CCOC[C@@H]1CNC(=O)C1CS(=O)(=O)C1 1050937650 VGHQPYAVOYDUMG-LBPRGKRZSA-N 302.396 -0.576 30 20 DBED N#CCN1CCN([C@H]2CCN(C(=O)c3cnnc(O)c3)C2)CC1 1052041670 OSLZDKMNFZVPSA-ZDUSSCGKSA-N 316.365 -0.462 30 20 DBED C#CCN1CCC[C@H](NC(=O)CN2CCN(C)C(=O)C2)CC1 1052504211 ZKGVAAKWOBRXIZ-AWEZNQCLSA-N 306.410 -0.636 30 20 DBED C[C@@H](C(=O)N(C)C)N1CC2(CN(C(=O)[C@H](C)C#N)CCO2)C1 1053190738 CXXKJIUZBYWMCV-NEPJUHHUSA-N 308.382 -0.464 30 20 DBED C=CCN1CC2(C1)CN(C(=O)[C@@H](C)S(C)(=O)=O)CCO2 1053310294 YBQRFYNNCMNNIS-LLVKDONJSA-N 302.396 -0.481 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)c3cn4c(n3)COCC4)CO2)C1 1053848193 TVZWKKJYSJYBSI-LBPRGKRZSA-N 316.361 -0.380 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)Cc3nonc3C)CO2)C1 1053971957 VGAIILRDGRXYRJ-GFCCVEGCSA-N 304.350 -0.097 30 20 DBED N#Cc1nc(=N[C@H]2C[C@H]3C[C@@H](C2)N(C(=O)c2cnn[nH]2)C3)cc[nH]1 1054848795 BSWGDSNYEQBZJQ-DCAQKATOSA-N 324.348 -0.007 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@]1(CO)CCCN(C(=O)COC)C1 1055912119 MLJOYTVYCIUJHC-CABCVRRESA-N 314.382 -0.570 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)CO[C@@H](C)CC 1057370130 GQHRWEWUMNIPRA-ZDUSSCGKSA-N 316.398 -0.059 30 20 DBED Cc1ncc(CC(=O)NCCN(CCO)C(=O)C#CC2CC2)o1 1057535410 PVRWMOXSUKRXFV-UHFFFAOYSA-N 319.361 -0.124 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1CCCN(C(=O)[C@@H]2CNC(=O)N2)C1 1057747930 CQDZYAWYIWRMOB-AAEUAGOBSA-N 314.349 -0.541 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)CN1CCC[C@H]1C 1058843944 PGCFGWNKONJWPF-CHWSQXEVSA-N 310.398 -0.433 30 20 DBED O=C(Cn1ncnn1)NCC[C@H]1CCN(C(=O)C#CC2CC2)C1 1059622838 QDUGLLZLTNVINA-ZDUSSCGKSA-N 316.365 -0.559 30 20 DBED N#Cc1nccnc1N[C@H]1C[C@@H](NC(=O)C[C@@H]2CCNC2=O)C1 1059739016 UKAPSSBRWLWZFM-GARJFASQSA-N 314.349 -0.066 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCOC[C@@H]1CNC(=O)c1ccon1 1061349283 BWQBOJUNGPVHRP-XHDPSFHLSA-N 323.349 -0.041 30 20 DBED Cn1nnc(C(=O)NC[C@H]2CCCN2c2ccnc(C#N)n2)n1 1061428900 SSNIRDUTUDXZDG-SECBINFHSA-N 313.325 -0.729 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H]1COCCN1C(=O)/C(C)=C/C 1061514980 HDZCMYDKRAYLIE-YQJFHSMKSA-N 321.377 -0.564 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)CN1CCCC1 1061851023 DRDFEVZKCRBABG-CHWSQXEVSA-N 308.382 -0.415 30 20 DBED Cn1ncc(C(=O)N2C[C@@H]3CC[C@H](C2)N3c2ccnc(C#N)n2)n1 1061972763 AKGNALDRVZJJRF-PHIMTYICSA-N 324.348 -0.030 30 20 DBED N#Cc1cnc(NC[C@H]2CCCN2C(=O)Cn2ncnn2)cn1 1063518867 ISTHFXFYWULISA-LLVKDONJSA-N 313.325 -0.562 30 20 DBED C=C[C@](C)(O)CC(=O)NC1(CNC(=O)[C@@H]2CNC(=O)N2)CCC1 1064272535 PEDNIRUSTFXXBG-HZMBPMFUSA-N 324.381 -0.850 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CN(C(=O)CCc2nc[nH]n2)CCO1 1065025377 KMPACYMTRYHFJH-GHMZBOCLSA-N 320.353 -0.759 30 20 DBED C#CCCCC(=O)N1CCO[C@H](CNC(=O)[C@@H]2COC(=O)N2)C1 1065093212 SJNNQJOJNDRTCX-NEPJUHHUSA-N 323.349 -0.758 30 20 DBED N#Cc1cnc(N2CCOC[C@H]2CNC(=O)[C@H]2CCCO2)cn1 1066457835 UAJCQFDVPXDWRX-CHWSQXEVSA-N 317.349 -0.151 30 20 DBED CNC(=O)NCCC(=O)N1CCC[C@H](NC(=O)[C@@H](C)C#N)CC1 1066473900 AZTWZJLDIBSLLG-RYUDHWBXSA-N 323.397 -0.038 30 20 DBED C[C@H]1CN(C(=O)Cn2nccn2)C[C@H]1Nc1ccc(C#N)nn1 1067152928 FUSJMYOQASGVCJ-CMPLNLGQSA-N 312.337 -0.101 30 20 DBED N#Cc1ccc(C(=O)NC[C@@H]2CN(c3ncccn3)C[C@@H]2O)[nH]1 1067668562 YSCLUSQFBXMTSB-MFKMUULPSA-N 312.333 -0.097 30 20 DBED C[C@H](C#N)C(=O)N(C)CCCN(C)C(=O)[C@@]1(C)CNC(=O)C1 1067817692 CQXSZRWHAPAYCO-IAQYHMDHSA-N 308.382 -0.021 30 20 DBED C=CCOCC(=O)N1CCOC2(C1)CN(C(=O)c1cc[nH]n1)C2 1068354819 BZICXAIIPRMYGE-UHFFFAOYSA-N 320.349 -0.334 30 20 DBED C[C@H]1C[C@H](Nc2nccnc2C#N)CN1C(=O)c1nnn(C)n1 1069177820 GIVZXCPGWYUKBE-IUCAKERBSA-N 313.325 -0.413 30 20 DBED CC#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2c[nH]nc2C)C1 1069993845 QYYMJVJGPLQAPM-KGLIPLIRSA-N 313.365 -0.012 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2cnc(C)n2C)C1 1070007948 IOQODUMDEXEHBT-OCCSQVGLSA-N 313.365 -0.391 30 20 DBED C#CCN[C@@H]1CN(C(=O)Cc2cc(C)on2)C[C@@H]1n1ccnn1 1070161179 YORLHQAYXOTFAW-KGLIPLIRSA-N 314.349 -0.208 30 20 DBED CN(C)[C@@H](C(=O)N1C[C@H](n2ccnn2)[C@H](NCC#N)C1)C1CC1 1070208986 HLUFJRPFEHFWDC-HZSPNIEDSA-N 317.397 -0.517 30 20 DBED Cn1cnc([C@@H]2CN(C(=O)c3ccnn3C)C[C@H]2NCC#N)c1 1070475638 YWANGTYQKROZTK-WCQYABFASA-N 313.365 -0.125 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CCCN(C(=O)CC(=O)NC)C1 1070650778 QYWYMBCBPGPSGJ-IAQYHMDHSA-N 311.382 -0.443 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)Cn4ccnc4)C[C@@]3(C1)O2 1070897419 KQHYBCARHRCULW-IIAWOOMASA-N 300.362 -0.182 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)c2cncnc2)CC1 1070957673 PXHNRQRKAYNUHW-UHFFFAOYSA-N 303.366 -0.073 30 20 DBED CCn1ccc(C(=O)N2CCC(=O)NCCN(CC#N)CC2)n1 1071005663 CGLNNZLVYXXGLN-UHFFFAOYSA-N 318.381 -0.309 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)Cc2nc[nH]n2)CC1 1071014317 IPVHYPRENOYNKA-UHFFFAOYSA-N 306.370 -0.816 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCCN(C(=O)[C@H](C)C#N)C1 1071226456 BFOMXQPIOSHBKP-VXGBXAGGSA-N 304.350 -0.607 30 20 DBED C=CCOCC(=O)N[C@@H]1CCCN(C(=O)[C@]2(C)CCNC2=O)C1 1071341633 PMBKOAMZRGLSDO-MLGOLLRUSA-N 323.393 -0.178 30 20 DBED C=CCOCC(=O)N1C[C@@H](C)[C@@H](NC(=O)c2c[nH]c(=O)cn2)C1 1071809641 WXNBQGIEWXGTTG-PWSUYJOCSA-N 320.349 -0.451 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CC[C@@H](C)N(CC(=O)NC)C2)nn1 1071880897 UMGLJQPVJRPGRL-NEPJUHHUSA-N 320.397 -0.207 30 20 DBED C#CCCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)Cn2cnnc2O)C1 1071997699 AACHEWSQNZSNPL-NEPJUHHUSA-N 319.365 -0.250 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](NC(=O)CS(C)(=O)=O)[C@H](C)C1 1072035918 RJOJVEPXSSQLBZ-VXGBXAGGSA-N 314.407 -0.347 30 20 DBED C=CCCC(=O)N[C@@H]1CN(C(=O)C2CC(=O)NC(=O)C2)C[C@@H]1C 1072387512 JGTFAWVYDNYPNO-CMPLNLGQSA-N 321.377 -0.032 30 20 DBED C#CCO[C@H](C)C(=O)NC1(C)CCN(C(=O)CNC(C)=O)CC1 1072834701 CLQXXNRUWQOLKM-GFCCVEGCSA-N 323.393 -0.342 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](NC(=O)CNC(N)=O)C(C)(C)C1 1073306384 JKOUGAQLKMUKCE-VHSXEESVSA-N 309.370 -0.442 30 20 DBED C#CCCCC(=O)N1CCN(C2CN(C(=O)CC(N)=O)C2)CC1 1073565987 NXTQUACXWBVWQG-UHFFFAOYSA-N 320.393 -0.980 30 20 DBED C=CCCN1CCO[C@@H]2CCN(C(=O)Cn3cnnc3O)C[C@H]21 1074219347 OIRLFQDEQRGPMM-CHWSQXEVSA-N 321.381 -0.139 30 20 DBED C#CCCN1CCO[C@H]2CCN(C(=O)c3cc(=O)n(C)o3)C[C@@H]21 1074226470 QHOWWAHJQJGBLE-STQMWFEESA-N 319.361 -0.083 30 20 DBED C#CCCCC(=O)NCC[C@H](C)NC(=O)Cn1ncn(C)c1=O 1076296678 OXASPSIEWZZZBY-LBPRGKRZSA-N 321.381 -0.604 30 20 DBED C=C[C@](C)(O)CC(=O)NCC[C@H](C)NC(=O)Cc1nc[nH]n1 1076306480 RTQXINBJLPJKTE-HZMBPMFUSA-N 309.370 -0.315 30 20 DBED C[C@@H](CCNC(=O)C#CC1CC1)NC(=O)CCn1cnnn1 1076427694 KSOOEPPFPVSJCE-NSHDSACASA-N 304.354 -0.512 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2c3c(nn2C)CCCC3)C1 1077067124 NAYYULXULLXBEM-ZIAGYGMSSA-N 302.378 -0.293 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)C2CCS(=O)(=O)CC2)C1 1077765610 VUJSNYALLDKEHQ-CHWSQXEVSA-N 316.423 -0.451 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2cnn(-c3ccncc3)c2)C1 1077906360 DZWXNKVTZPTELR-ZIAGYGMSSA-N 312.333 -0.434 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@H](C)NC(=O)CC(=O)NC 1078533481 OASHBPYZZIZQNN-TUAOUCFPSA-N 311.382 -0.275 30 20 DBED C=CCCOCC(=O)N1CC(N(CC)C(=O)Cn2ncnn2)C1 1079830337 BZSCJIPASGZXQR-UHFFFAOYSA-N 322.369 -0.675 30 20 DBED C#CCNC(=O)CC(=O)N1CCC(CO)(NC(=O)CC)CC1 1080642041 IPXHOSIHUITVTE-UHFFFAOYSA-N 309.366 -0.994 30 20 DBED C[C@@H](C#N)C(=O)NC1(CO)CCN(C(=O)Cc2ccon2)CC1 1080980052 IJYIKWXKJXFYBZ-NSHDSACASA-N 320.349 -0.154 30 20 DBED C=CC(C)(C)C(=O)NC[C@@H]1CN(C(=O)Cn2cncn2)C[C@@H]1O 1081645592 PUBNZXFQJDBRFV-NEPJUHHUSA-N 321.381 -0.574 30 20 DBED C=C1CC(C)(C(=O)NC[C@@H]2CN(C(=O)c3nc[nH]n3)C[C@H]2O)C1 1081751907 BHMCGLOAWYJEBU-GHMZBOCLSA-N 319.365 -0.290 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)C(=O)N1CC[C@H](C)C1 1083244335 SAMXJWVFBYRXKG-SOUVJXGZSA-N 319.405 -0.210 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)c2ccn3nnnc3c2)C1 1083695050 GMIKAWMQZCEZLU-NEPJUHHUSA-N 302.338 -0.525 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)c2ccnc3c2nnn3C)C1 1083731790 OKXZDIZWKZIVQG-NEPJUHHUSA-N 316.365 -0.286 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CN(Cc3ccon3)C[C@@H]2O)nn1 1083843315 BFRHJXUSPVWFJN-YPMHNXCESA-N 318.337 -0.573 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)C[C@H]2NC(=O)c3ccccc32)C1 1083879570 QZKAQPLLNZUSDW-MCIONIFRSA-N 314.345 -0.454 30 20 DBED C=CCN[C@@H]1CCCC[C@H]1NC(=O)Cn1cnc(C(N)=O)n1 1085204387 MHBBRUPQHDXGOV-GHMZBOCLSA-N 306.370 -0.420 30 20 DBED Cn1cc([C@@H]2CN(C(=O)c3cnn(C)n3)C[C@H]2NCC#N)cn1 1087002386 XCAHPGWEWGNJLW-WCQYABFASA-N 314.353 -0.730 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)CNC(N)=O)Nc1cnc(C#N)cn1 1089214865 KYQQMPQGPLEILB-DTWKUNHWSA-N 305.342 -0.288 30 20 DBED COCCn1cc(C(=O)N[C@@H]2CCN(CC#N)C[C@H]2O)cn1 1090764457 ROEZALXCSGQQIZ-CHWSQXEVSA-N 307.354 -0.782 30 20 DBED COC(=O)NCC(=O)N1C[C@@H](Nc2cnc(C#N)cn2)[C@H](C)C1 1090961981 YYEWEFHIDLWEGN-MWLCHTKSSA-N 318.337 -0.037 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(c2nccc(C)n2)C[C@@H]1O 1091101386 GGPYCORLHCTDCP-XUJVJEKNSA-N 306.366 -0.222 30 20 DBED CC[C@@H](C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O)N(C)C 1091123321 OZRQTWRYVKGQTM-AGIUHOORSA-N 318.381 -0.646 30 20 DBED N#Cc1cncc(N2C[C@H](O)[C@H](NC(=O)C3(CF)CC3)C2)n1 1091180880 JOVRCMZCUFBWED-MNOVXSKESA-N 305.313 -0.236 30 20 DBED N#Cc1ccc(N2CCN(C(=O)CCNC(N)=O)CC2)nn1 1093155872 UQYMBEOMVRWUGA-UHFFFAOYSA-N 303.326 -0.945 30 20 DBED C[C@H](CC(N)=O)C(=O)N[C@H]1[C@@H]2CN(c3cncc(C#N)n3)C[C@@H]21 1093330418 HMOJDYVVHRTQIF-GJTWSCIVSA-N 314.349 -0.589 30 20 DBED C=CCN1CC(OC2CCN(C(=O)Cn3cnnc3O)CC2)C1 1093529582 XQYWHBMREWCEHL-UHFFFAOYSA-N 321.381 -0.139 30 20 DBED CCc1nc(C#N)cc(NCCNC(=O)[C@H]2CCCNC2=O)n1 1093945646 BTRGEAAJLKRSON-NSHDSACASA-N 316.365 -0.035 30 20 DBED Cc1cn(C)nc1C(=O)NCc1cn(C2CN(CC#N)C2)nn1 1094290734 HWTSBPJGKCILDO-UHFFFAOYSA-N 314.353 -0.370 30 20 DBED N#CCN1CC(N2C[C@@H](NC(=O)c3csnn3)CC2=O)C1 1094767336 ZCQVNAVKQKNMNJ-QMMMGPOBSA-N 306.351 -0.923 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CC(=O)N(C3CN(CC)C3)C2)nn1 1094791459 DYMUDLCKQRYSGR-LLVKDONJSA-N 318.381 -0.501 30 20 DBED CN1C[C@H](C(=O)NCCCN=c2cc[nH]cc2C#N)CC1=O 1094847577 VYIQSLZRQPRKNG-LLVKDONJSA-N 301.350 -0.228 30 20 DBED CCNC(=O)CC(=O)N1CC[C@@H](N(C)c2ccnc(C#N)n2)C1 1095109327 PMKDCZRLXMVFQL-LLVKDONJSA-N 316.365 -0.088 30 20 DBED CNC(=O)NCC(=O)N1CCCN(c2cnc(C#N)cn2)CC1 1095208799 STIIPSNCYXLDCK-UHFFFAOYSA-N 317.353 -0.684 30 20 DBED CC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cn1ccc(O)nc1=O 1095706517 REOIRSMGQQLVCB-AGIUHOORSA-N 316.361 -0.306 30 20 DBED Cc1cc(C#N)nc(N[C@H](C)CNC(=O)CCn2cnnn2)n1 1098011531 UGAHXDDBGMRVGY-SNVBAGLBSA-N 315.341 -0.350 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2cn(C)nc2C)[C@@H](O)C1 1099746871 PRTBZOZHVHETEV-GJZGRUSLSA-N 320.393 -0.457 30 20 DBED CCN(C)C(=O)CN1CC[C@@H](NC(=O)C#CC(C)C)[C@@H](O)C1 1099821235 SCMKRINNMLXXTP-KGLIPLIRSA-N 309.410 -0.325 30 20 DBED CC(=O)N1CC(C(=O)NCCN(C)c2ccc(C#N)nc2)C1 1100077360 CSMRLCXJIOYIRH-UHFFFAOYSA-N 301.350 -0.016 30 20 DBED CCc1nc(C#N)cc(N(C)CCNC(=O)Cn2nccn2)n1 1100164648 RVUVMHBEYQLNFR-UHFFFAOYSA-N 314.353 -0.245 30 20 DBED CCN(CCNC(=O)CS(C)(=O)=O)c1nccnc1C#N 1100470277 GGLLCZFRVRLYIJ-UHFFFAOYSA-N 311.367 -0.665 30 20 DBED COC(=O)NCC(=O)NC[C@H]1CCN(c2ccc(C#N)nn2)C1 1100947999 HAMORTSCKRHYCA-SNVBAGLBSA-N 318.337 -0.353 30 20 DBED N#CCNC1CC(CNC(=O)CCCN2C(=O)CNC2=O)C1 1100963749 BKUJGVZMWATIJD-UHFFFAOYSA-N 307.354 -0.674 30 20 DBED N#Cc1cncc(N(CCNC(=O)CNC(N)=O)C2CC2)n1 1101279837 CVVBHWRLIJRNRC-UHFFFAOYSA-N 303.326 -0.898 30 20 DBED CC(=O)N[C@H](C)C(=O)N1CCC[C@@H]1CN=c1cc[nH]c(C#N)n1 1103787636 FZYBGYWNJVRJSJ-ZYHUDNBSSA-N 316.365 -0.302 30 20 DBED CC(=O)NC(C)(C)C(=O)NC[C@H](C)CN=c1cc[nH]c(C#N)n1 1104015958 JSDZPTRZHXVPSA-SNVBAGLBSA-N 318.381 -0.151 30 20 DBED C[C@H](CNc1ncccc1C#N)N(C)C(=O)[C@@H]1CNC(=O)N1 1104784079 CJWLAVCVSIFLCD-KOLCDFICSA-N 302.338 -0.107 30 20 DBED CC[C@H](NC(C)=O)C(=O)N(C)[C@H](C)CN=c1cc[nH]c(C#N)n1 1104819191 LLVKEBXTANBNMD-PWSUYJOCSA-N 318.381 -0.056 30 20 DBED C#CCCNCc1cn(C2CN(C(=O)[C@H]3CCC(=O)N3)C2)nn1 1105190191 SDEHRHVYURWALQ-CYBMUJFWSA-N 316.365 -0.947 30 20 DBED C#CCNCc1cn(C2CN(C(=O)[C@@H]3CCCCO3)C2)nn1 1105211747 XWMAWHUSFFNFPA-AWEZNQCLSA-N 303.366 -0.047 30 20 DBED N#Cc1cnc(NC[C@H](O)CNC(=O)Cc2cc[nH]n2)cn1 1105762887 XBHKDIQNHBMWRQ-NSHDSACASA-N 301.310 -0.797 30 20 DBED Cc1cc(=NC[C@@H](O)CNC(=O)[C@]2(C)CCOC2)c(C#N)c[nH]1 1105939038 JEVWNJGJUDBFDG-CZUORRHYSA-N 318.377 -0.001 30 20 DBED C=CCCn1cc(C(=O)NC[C@@H](O)CNc2ncccn2)nn1 1106135326 RPHURQUPUQKRRQ-LLVKDONJSA-N 317.353 -0.153 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)Cn1cnnc1O 1106731796 HBTDFHPUBJIXNC-UHFFFAOYSA-N 316.325 -0.972 30 20 DBED C[C@H](CNc1nccnc1C#N)NC(=O)CN1C(=O)CCC1=O 1107752821 JVBOHDAUDWOZEW-SECBINFHSA-N 316.321 -0.586 30 20 DBED COCC#CCN1CCO[C@](C)(CNC(=O)c2cn[nH]c2)C1 1107768592 XUXLZFJHJPUHGR-OAHLLOKOSA-N 306.366 -0.120 30 20 DBED C#CCNC(=O)CN1CCO[C@](C)(CNC(=O)[C@@H]2C[C@H]2C)C1 1108125966 OTBOAKDNRGWELM-XJKCOSOUSA-N 307.394 -0.401 30 20 DBED C=C(C)CCN1CCO[C@](C)(CNC(=O)[C@@H]2CNC(=O)N2)C1 1108166420 AVNCRLKGJZQCQR-SWLSCSKDSA-N 310.398 -0.159 30 20 DBED C=CCN1CCO[C@](C)(CNC(=O)CCCS(N)(=O)=O)C1 1108171978 WNRVMBABKDAEMF-CYBMUJFWSA-N 319.427 -0.552 30 20 DBED Cc1cc(C#N)nc(NC[C@H](C)NC(=O)[C@H]2CCC(=O)N2)n1 1108311154 SKHAIZFFUWCXRL-GXSJLCMTSA-N 302.338 -0.148 30 20 DBED N#CCN1CC(N2C[C@@H](NC(=O)/C=C/c3ccc[nH]3)CC2=O)C1 1108537165 NPPUARTTYCFEEA-OOPCZODUSA-N 313.361 -0.047 30 20 DBED CO[C@H](C)CN1CC(N2C[C@H](NC(=O)C#CC3CC3)CC2=O)C1 1108545488 WWNLNIKIDIUAJL-TZMCWYRMSA-N 319.405 -0.164 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)C[C@@H]1CCNC1=O 1108573907 MZZTVSSFPYLTOD-UWVGGRQHSA-N 302.338 -0.787 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)CCn3cccc3)CC2=O)C1 1108581707 XPYRRGMTPZTFJL-AWEZNQCLSA-N 314.389 -0.087 30 20 DBED C[C@H](CN(C)c1cncc(C#N)n1)NC(=O)[C@@H]1COCCO1 1108872489 FVZFTZUUEQEBQQ-PWSUYJOCSA-N 305.338 -0.295 30 20 DBED CNC(=O)CCCC(=O)N(C)CCCN=c1cc[nH]c(C#N)n1 1109416899 DBYVCFWOPPVOPS-UHFFFAOYSA-N 318.381 -0.053 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](NC(=O)CC(N)=O)C2CC2)n1 1109800014 ORJSFFKGGBUIMK-LLVKDONJSA-N 302.338 -0.161 30 20 DBED C#CCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCOCCO 1110550894 JCRAAKDCNJBGMY-KFWWJZLASA-N 310.394 -0.243 30 20 DBED CCO[C@@H](C)C(=O)NC[C@@]1(O)CCN(c2nccnc2C#N)C1 1111029206 FGLJHAOTUIWJGW-NHYWBVRUSA-N 319.365 -0.169 30 20 DBED C#CCO[C@H](C)C(=O)N(CCO)CCNc1nccnc1F 1111510922 PZRKWYXKXAFLRS-LLVKDONJSA-N 310.329 -0.113 30 20 DBED COCC(=O)N[C@@H](C)C(=O)N[C@]12CCC[C@H]1CN(CC#N)C2 1111759006 VMHMPTIWWZKXER-HUBLWGQQSA-N 308.382 -0.368 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCN([C@H](C)c2nnnn2C)CC1 1112814234 KUUNZUABVDOKPO-RISCZKNCSA-N 308.386 -0.258 30 20 DBED C=CCCn1cc(C(=O)N2CCN(C[C@@H](O)COC)CC2)nn1 1113417390 DJUPSPCNIVDGPS-CYBMUJFWSA-N 323.397 -0.381 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@]23CCOC3)CC1 1113504514 RLWCMGCVQREENQ-WFASDCNBSA-N 306.366 -0.803 30 20 DBED C#CCCN1CCN(C(=O)CCNC(=O)[C@@H]2CCCO2)CC1 1113734744 ZFDFAXCXOCVIAW-AWEZNQCLSA-N 307.394 -0.161 30 20 DBED C=CCCC(=O)N[C@H]1[C@@H]2CN(CCN3C(=O)CNC3=O)C[C@@H]21 1114024972 HCIKSPQISZQLOP-YABSGUDNSA-N 306.366 -0.449 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@@H]2CN(Cc3conc3C)C[C@@H]12 1114157265 BHMRSEVFJWVUCP-CHWSQXEVSA-N 316.361 -0.331 30 20 DBED COCC#CCN1C[C@@H]2C(NC(=O)CN(C)C(=O)C(C)C)[C@H]2C1 1114362056 YQSMPAFRTOHTIX-KBPBESRZSA-N 321.421 -0.203 30 20 DBED CC(=O)N[C@@H](C)C(=O)N[C@H](C)CCCN=c1cc[nH]c(C#N)n1 1114855366 XCVGYKFWGNSWFQ-MNOVXSKESA-N 318.381 -0.008 30 20 DBED N#CCNC(=O)CN1C[C@H]2C(NC(=O)Cc3cscn3)[C@@H]2C1 1114932672 KGTKTZIRRXPEFN-GHMZBOCLSA-N 319.390 -0.628 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)CN(CC)CC)[C@@H]2C1 1115000621 JDZQZEMJNPWFIC-BFHYXJOUSA-N 320.437 -0.488 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)c3nocc3C)[C@@H]2C1 1115074649 QALKWIVFPBBKAV-GHMZBOCLSA-N 302.334 -0.608 30 20 DBED CN(C)CCC(=O)NCCOCCN(C)c1cncc(C#N)n1 1115250812 CBPMNVLDQPKNFC-UHFFFAOYSA-N 320.397 -0.131 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CCC[C@@H](CO)C2)nn1 1118180644 RCMTUABEWHHYNO-LLVKDONJSA-N 307.354 -0.689 30 20 DBED C#CC1CCN(C(=O)C(=O)N2[C@H]3CC[C@H]2CC(=O)NC3)CC1 1118854077 CEZMAHAUUSBWIK-STQMWFEESA-N 303.362 -0.262 30 20 DBED C=CCOCCn1nnnc1N1CCO[C@H](CC(=O)OC)C1 1120178619 LZWIZKBLNCPZMI-LLVKDONJSA-N 311.342 -0.356 30 20 DBED C[C@@H](CN(C)C(=O)[C@H]1CCCC(=O)N1)N=c1cc[nH]c(C#N)n1 1120207378 WPXGEWZKYAHJGU-WDEREUQCSA-N 316.365 -0.302 30 20 DBED Cc1cc(C#N)nc(N[C@H](CO)CNC(=O)CN(C)C(C)C)n1 1121667712 DADIHGRIYWWXSS-ZDUSSCGKSA-N 320.397 -0.114 30 20 DBED C=CCOCC(=O)N(C)C[C@@H](O)CNc1nccc(OC)n1 1124196206 IZIXBSMTTLKESL-NSHDSACASA-N 310.354 -0.081 30 20 DBED CN1CC[C@@H](C(=O)N(C)C[C@H](O)CN=c2cc[nH]cc2C#N)C1 1124352369 MPGFCUSCEZTFRE-TZMCWYRMSA-N 317.393 -0.442 30 20 DBED C[C@H](CC(N)=O)C(=O)N(C)C[C@H](O)CNc1ccc(C#N)nn1 1124688025 AYZSSDRWXVRASS-MWLCHTKSSA-N 320.353 -0.909 30 20 DBED COCCN(CCNC(=O)CNC(N)=O)c1ccncc1C#N 1126192109 WDLKIHNLOKLJIT-UHFFFAOYSA-N 320.353 -0.809 30 20 DBED C#CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)COCC=C)C1 1128812295 UREIAFOGSGKTGN-KGLIPLIRSA-N 303.366 -0.155 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)COc2cc(C)on2)C1=O 1129915997 WJZVKIWHRAVUGM-GFCCVEGCSA-N 322.365 -0.145 30 20 DBED N#CCN1CC[C@@H](c2n[nH]cc2CNC(=O)CCCC(N)=O)C1 1130450188 LVZJKPQTNNQCPB-LLVKDONJSA-N 318.381 -0.006 30 20 DBED C#CCN1CCOC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](C)COC)n1 1130835027 IZWZKVIWMPKLPL-NWDGAFQWSA-N 321.381 -0.290 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2C[C@@H]3CN(CCO)C[C@]2(C1)O3 1131231218 WQGQKCNUKVLBRD-TTZDDIAXSA-N 308.378 -0.681 30 20 DBED C#CCCN1C[C@H]2C[C@@H]3CN(C(=O)[C@H](COC)OC)C[C@@]3(C1)O2 1131264201 LOGVATUYVLTERU-PNBKFKSVSA-N 322.405 -0.027 30 20 DBED C=C[C@H](C)[C@@H](C)C(=O)N1CCC(=O)NCCN(CC(N)=O)CC1 1131378965 NVQBKOPIAGNPFR-QWHCGFSZSA-N 324.425 -0.420 30 20 DBED C#CCNC(=O)CC(=O)N1CC2(CCN(CCOCC)C2)C1 1147374259 KDFKYGPLKVMQCU-UHFFFAOYSA-N 307.394 -0.303 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN([C@@H]2CCNC2=O)CCCO1 1149694062 HNHJUFAPOLLRBM-UONOGXRCSA-N 305.378 -0.505 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)c1cc(C#N)c[nH]1 1156295973 BUFMQQYJDFAOMA-LLVKDONJSA-N 301.350 -0.266 30 20 DBED CNC(=O)Cc1noc(CNCCCNC(=O)C#CC2CC2)n1 1157688738 BEZHUBPTVPQHSP-UHFFFAOYSA-N 319.365 -0.633 30 20 DBED C#CCN(C)C[C@H]1CCCCN1C(=O)CCn1ncn(C)c1=O 1158271192 RFLMUFZEICWNJD-CQSZACIVSA-N 319.409 -0.082 30 20 DBED C=CCNC(=O)CNCCCNC(=O)c1cn(C)c(C)cc1=O 1160473649 YDMRJIWDKLJHCG-UHFFFAOYSA-N 320.393 -0.295 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@@H]1CC[C@@H]2CCCCN21 1160867936 IZYXYKMZYNNOLR-GJZGRUSLSA-N 320.437 -0.151 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)[C@@H]2CCNC2=O)C1=O 1163948967 YQPPQXAAKOGULL-RYUDHWBXSA-N 308.382 -0.995 30 20 DBED CC#CCNCC1(CCNC(=O)CN2CCC(=O)NC2=O)CC1 1167656774 NLZRJHATHWZKGQ-UHFFFAOYSA-N 320.393 -0.172 30 20 DBED N#CCNC(=O)CNCCCNC(=O)c1cc2ncccn2n1 1168916306 CZNNBYVVPSFBRM-UHFFFAOYSA-N 315.337 -0.921 30 20 DBED C=C(Cl)CNCCCNC(=O)c1cn(C)c(=O)nc1O 1176004872 XFPBGDUGEKQUQH-UHFFFAOYSA-N 300.746 -0.052 30 20 DBED C=CCO[C@H](C)C(=O)NCCCN[C@@H](C)C(=O)NC(N)=O 1177277598 TWGVZKFTYVFNQR-VHSXEESVSA-N 300.359 -0.743 30 20 DBED Cc1cc(C)n([C@@H](C)C(=O)NCCCNCC(=O)NCC#N)n1 1177325244 KLENGIDNIATHDX-ZDUSSCGKSA-N 320.397 -0.203 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)Cc2nc[nH]n2)[C@H]1C 1179895155 KCMQKGQCNSDVCI-WOPDTQHZSA-N 320.397 -0.383 30 20 DBED N#CCNC(=O)CN[C@@H]1CCN(C(=O)CCOCC(F)F)C1 1182615623 KTOFVBFETBLLEW-SNVBAGLBSA-N 318.324 -0.512 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 1183437580 YANJSKBXMWHTAY-HIFRSBDPSA-N 308.426 -0.488 30 20 DBED Cc1cc(C)n(CC(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)n1 1184086227 UXIHQALYKUHLHU-CYBMUJFWSA-N 318.381 -0.670 30 20 DBED COCC(C)(C)CC(=O)N1CC[C@@H](NCC(=O)NCC#N)C1 1184551399 MYWCKCXZIIDYFM-GFCCVEGCSA-N 310.398 -0.121 30 20 DBED C#CCCN[C@@H]1CCN(C(=O)[C@H]2C[C@H](OC)CN2C(C)=O)C1 1184609838 VZYDTBLYAMRGHS-QLFBSQMISA-N 307.394 -0.164 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2c[nH]nc2C)C1 1184747351 YBDBHKHQRAVEBA-VXGBXAGGSA-N 303.366 -0.340 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H]2CCN(C(=O)CCOC)[C@@H]2C1 1186662195 DHYIOIOQXWHYEJ-MELADBBJSA-N 307.394 -0.307 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)CCc2cnccn2)C1 1186807632 BVAMQTGOHUTYNU-CQSZACIVSA-N 315.377 -0.651 30 20 DBED C#CCN(C)[C@@H]1CCN(C(=O)CNC(=O)c2ccncc2)C1 1190307646 LEOXQMPMZBBICF-CQSZACIVSA-N 300.362 -0.023 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)Cn2cc(C)cn2)C1 1191400913 CMIOSHBULLZGBH-ZIAGYGMSSA-N 308.382 -0.445 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)CC2=CCCCC2)C1 1191745276 SHFYHXSJJCSOOC-HUUCEWRRSA-N 319.405 -0.212 30 20 DBED C=CCCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2COCCN2CC)C1 1194321380 UTEAEHSNYCTIOS-RBSFLKMASA-N 311.426 -0.165 30 20 DBED Cc1c(C(=O)N2CCCN(CC(=O)NCC#N)CC2)cnn1C 1194842571 DTWAHKIZUQXUSL-UHFFFAOYSA-N 318.381 -0.484 30 20 DBED CC#CCCCC(=O)N[C@@H]1CN([C@@H]2CCN(C)C2=O)C[C@H]1O 1195484489 XBPDKLKVNFRHKZ-MGPQQGTHSA-N 307.394 -0.428 30 20 DBED CCc1nocc1C(=O)N[C@@H]1CN(CC#CCOC)C[C@H]1O 1195940684 ZOZWRIVIUBCEJH-ZIAGYGMSSA-N 307.350 -0.338 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)[C@H](COC)OC)C1 1196030441 OEFLMVPSIXYDMK-UPJWGTAASA-N 302.371 -0.988 30 20 DBED C=CCC[C@H](C)N1C[C@@H](O)[C@H](NC(=O)CN2CC(=O)NC2=O)C1 1196985761 OGOGPRHLDSTPST-QJPTWQEYSA-N 324.381 -0.946 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)CN(C)S(=O)(=O)CC)C1 1197382096 URCGTOVKEFMCDE-VXGBXAGGSA-N 319.427 -0.995 30 20 DBED N#CCNC(=O)CNC1CCN(C(=O)c2cccnc2)CC1 1199098378 DMAHZHDVSBTVQX-UHFFFAOYSA-N 301.350 -0.084 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)[C@@H]2CN(C)CCO2)CCCO1 1200182800 UGLOOYUPJLIHHJ-CABCVRRESA-N 309.410 -0.453 30 20 DBED C=CCNC(=O)[C@H](C)NC1CCN(C(=O)c2cn(C)nn2)CC1 1200371419 OQPZMRYWKOXUCM-NSHDSACASA-N 320.397 -0.300 30 20 DBED Cc1c[nH]nc1C(=O)N1CCC(NCC(=O)NCC#N)CC1 1200426500 YJNCFCHXFIHHFQ-UHFFFAOYSA-N 304.354 -0.448 30 20 DBED C#CCNC[C@H]1CN(C(=O)c2cn(CC=C)nn2)CCCO1 1201584825 HNYUQZBNYXDWJT-ZDUSSCGKSA-N 303.366 -0.082 30 20 DBED COCC#CCNC[C@H]1CN(C(=O)c2nonc2C)CCCO1 1202227811 WSBUQINSILGURK-ZDUSSCGKSA-N 322.365 -0.151 30 20 DBED C=CCNC[C@H]1CN(C(=O)C[C@H]2CC(=O)NC2=O)CCCO1 1202251696 UEYDSFMDXGOYPU-NEPJUHHUSA-N 309.366 -0.568 30 20 DBED C#CCNC(=O)CN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)c1cc[nH]n1)C2 1204004289 YYDPCWDMCZBEFP-MRVWCRGKSA-N 315.377 -0.258 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(Cc2nccn2C)C[C@H]1C 1206887546 PTCZJGJLUXQXHM-CHWSQXEVSA-N 317.393 -0.504 30 20 DBED COCCOC[C@@H](O)CN1C[C@@H](NC(=O)C#CC2CC2)[C@H](C)C1 1206951636 CAEQWUGVDULDQW-VNQPRFMTSA-N 324.421 -0.140 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1206963684 LNFDUVUSWSBKGA-FRRDWIJNSA-N 306.366 -0.899 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)Cc2cncn2C)[C@H](C)C1 1210284150 ONGMVSGAQBDZAE-TZMCWYRMSA-N 317.393 -0.852 30 20 DBED COC[C@@H](O)CN1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@H](OC)C1 1212141532 XHQWXMANTVFUHM-BFHYXJOUSA-N 322.365 -0.677 30 20 DBED C=CCOCCN1C[C@@H](NC(=O)C(C)(C)C(N)=O)[C@H](OC)C1 1212438703 BHRNQQMPGLRUPI-VXGBXAGGSA-N 313.398 -0.484 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)[C@@H]2CCNC(=O)C2)C[C@H]1C 1214429207 XJLYXAZXSTWQTB-MGPQQGTHSA-N 307.394 -0.401 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@H](C)NC(=O)CC)C[C@H]1C 1214693389 YHTUQDGXODMEAJ-FRRDWIJNSA-N 322.409 -0.913 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)C[C@@H]2CCCOC2)C[C@H]1C 1216764497 AKOGTEIJPGMSDO-QLFBSQMISA-N 321.421 -0.011 30 20 DBED C[C@@H]1CN(C(=O)CS(=O)(=O)NC(C)(C)C)C[C@H]1NCC#N 1216778513 MNLWZRSFGCIYJF-GHMZBOCLSA-N 316.427 -0.336 30 20 DBED CCc1cc(C(=O)N[C@@H]2CN(CC#CCOC)C[C@@H]2O)n[nH]1 1219224617 FPZXAORRHLUGSE-KGLIPLIRSA-N 306.366 -0.603 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2csnn2)C[C@@H]1O 1219613521 KIIBQIZHUWPLJI-NEPJUHHUSA-N 310.379 -0.761 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)CN2CC[C@@H](C)C2)C1 1220355693 ZAKCAXHGZOKERJ-KFWWJZLASA-N 309.410 -0.861 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)Cc3cc[nH]n3)[C@@H]2C1 1221458935 ZYZKBLQKBTZOLJ-TZMCWYRMSA-N 315.377 -0.766 30 20 DBED C#CCOCCC(=O)N1C[C@H]2CCN(C[C@@H](O)COC)C[C@H]21 1221544873 KZGRXBYDMSMSHT-RBSFLKMASA-N 310.394 -0.434 30 20 DBED CNC(=O)NCC(=O)N[C@@H]1CCCC[C@H]1NCC#CCOC 1226635468 SOFUYNRPGBKUCW-CHWSQXEVSA-N 310.398 -0.418 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)[C@@H]2[C@H]3COC[C@H]32)CC1 1228712364 QDWIDRFKLDLSPP-NHAGDIPZSA-N 305.378 -0.791 30 20 DBED N#CCN1CCS(=O)(=O)[C@@H](CCNC(=O)c2ccncn2)C1 1230512504 RLOZLTDHEZZNFU-NSHDSACASA-N 323.378 -0.781 30 20 DBED C=CCNC(=O)CN1CC[C@H]1CN(C)C(=O)[C@H]1CN(C)CCO1 1231378207 QOKOWWOMELUTPW-UONOGXRCSA-N 324.425 -0.848 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CCC[C@H](COC)C2)nn1 1261449356 ZESGGCMOTFFWPS-LBPRGKRZSA-N 321.381 -0.035 30 20 DBED Cc1cc(NC(=O)C(=O)NC[C@H](O)C2CC2)nn1CCC#N 1319784995 WZWVGEDPDGCADI-NSHDSACASA-N 305.338 -0.069 30 20 DBED C#CCN(C)C(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 1321874378 YXYDZJPVVFVBPG-JTQLQIEISA-N 311.363 -0.757 30 20 DBED CCS(=O)(=O)C[C@@H](C)NC(=O)C(=O)N1CC[C@@](F)(C#N)C1 1322762384 GHGDCZQMNYFLRN-BXKDBHETSA-N 319.358 -0.610 30 20 DBED CN1CCN(C(=O)C(=O)N2CCC[C@@](C)(C#N)C2)[C@@H](CN)C1 1325756261 SHHNPXRMFWJOOZ-WFASDCNBSA-N 307.398 -0.760 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)N[C@H]2CCO[C@@H](C3CC3)C2)C1 1326111425 KSWNFXTTWYCPSH-ZENOOKHLSA-N 321.377 -0.063 30 20 DBED CCN(CCC#N)C(=O)CN1C(=O)NC2(CCNCC2)C1=O 1326805451 HDUCYGLZSOEQLH-UHFFFAOYSA-N 307.354 -0.577 30 20 DBED C#C[C@H](NC(=O)C(=O)NC[C@@H](C)C(=O)OC(C)C)[C@H]1CCCO1 1327045318 JSDNDFCAOIHNOQ-FRRDWIJNSA-N 324.377 -0.013 30 20 DBED C=C[C@@H](C)ONC(=O)C(=O)Nc1cnn(CC(=O)NC2CC2)c1 1327323515 HFXRUCYOWDAQTA-SECBINFHSA-N 321.337 -0.278 30 20 DBED C[C@@H]1COCCN1C(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1329274883 XSGLWAZHCBDYEJ-YPMHNXCESA-N 306.366 -0.568 30 20 DBED C#C[C@@H](NC(=O)C(=O)NCc1cn(CC=C)nn1)[C@H]1CCCO1 1332043282 ONBKEOSFOZXPAE-CHWSQXEVSA-N 317.349 -0.623 30 20 DBED COC[C@H]1C[C@@H](O)CN1C(=O)C(=O)Nc1ccn(CCC#N)n1 1332611732 WNDMKMIFUNVACG-GHMZBOCLSA-N 321.337 -0.657 30 20 DBED C#CCSCCNC(=O)C(=O)N1CCN(CCC#N)CC1 1332645235 MOIIMNGXSOAXCF-UHFFFAOYSA-N 308.407 -0.473 30 20 DBED C#CCN(C(=O)C(=O)NCCC(=O)N1CCN(C)CC1)C(C)C 1333074608 NLPLYKONTCUHAM-UHFFFAOYSA-N 322.409 -0.863 30 20 DBED C=C(Br)CNC(=O)C(=O)N[C@@H]1COCC[C@H]1OC 1334622409 AFUVVGCKSMAGTC-RKDXNWHRSA-N 321.171 -0.069 30 20 DBED C=CCCn1cc(C(=O)Nc2ncn(CC(=O)NC)n2)nn1 1345660017 IBDLYFJGUWHLBM-UHFFFAOYSA-N 304.314 -0.556 30 20 DBED N#CCc1ccccc1S(=O)(=O)N[C@]1(C(N)=O)CCOC1 1364002883 OUTPLKCRMSUPQJ-CYBMUJFWSA-N 309.347 -0.325 30 20 DBED Cn1nc(C2CC2)cc1S(=O)(=O)NCCn1cnc(C#N)n1 1364856620 XMWIXTPQCZZABH-UHFFFAOYSA-N 321.366 -0.261 30 20 DBED CO[C@@H]1[C@H](C)[C@@H](NC(=O)Cn2cc(C#N)c(O)nc2=O)C1(C)C 1412750613 OBRWPDXFRSDIDA-GGZOMVNGSA-N 320.349 -0.004 30 20 DBED CC(C)(CCS(=O)(=O)N1CCOC[C@H]1C#N)S(C)(=O)=O 1413298932 RGHFBCIPUSRVKW-SNVBAGLBSA-N 324.424 -0.246 30 20 DBED Cc1c[nH]c(CC(N)=O)c1C(=O)N1CC(NC(=O)[C@@H](C)C#N)C1 1416046891 OCZUYDBOOZGVQE-QMMMGPOBSA-N 317.349 -0.549 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](C1CC1)N(C)C(=O)C1(NC(N)=O)CC1 1424893354 UVPCWYCZUAPACX-KOLCDFICSA-N 321.381 -0.300 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)N[C@@H](CO)[C@@H]2CCOC2)cc1 1433869489 SBIGLEXCLCNHMJ-KGLIPLIRSA-N 317.345 -0.198 30 20 DBED N#C[C@@H]1CC[C@H](N2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)C1 1434463387 OZBJKUVHOCCWGN-XJFOESAGSA-N 313.423 -0.546 30 20 DBED Cc1cc(NC(=O)CCn2cc(C#N)c(O)nc2=O)n(C)n1 1441744672 OUARDDOSMPOHQM-UHFFFAOYSA-N 302.294 -0.109 30 20 DBED C[C@H](NC(=O)CN1CCCC1=O)C1CN(C(=O)[C@H](C)C#N)C1 1443168258 SIYPPJGEBBDGPA-MNOVXSKESA-N 306.366 -0.268 30 20 DBED CC(C)n1nccc1C(=O)NC[C@@H](O)CNC(=O)[C@@H](C)C#N 1452360490 UMEMUMPODHBFAL-QWRGUYRKSA-N 307.354 -0.169 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)C[C@H]2CCN(C)C2=O)C1 1454332798 WWROWDWRMKYXDA-DDHJBXDOSA-N 306.366 -0.222 30 20 DBED C=C(Cl)CN(C)[C@@H](C)CNC(=O)CN1CCNC(=O)C1 1485337044 RCUIBJYBGVNXJO-NSHDSACASA-N 302.806 -0.393 30 20 DBED CCC[C@@H](NC(N)=O)C(=O)N1CC[C@@H](NC(=O)[C@@H](C)C#N)C1 1491866763 LLXDFIHHBBYEMS-HBNTYKKESA-N 309.370 -0.300 30 20 DBED CN(CCNC(=O)c1cc(C#N)c[nH]1)C(=O)c1cnn(C)c1N 1495938214 PTAHELUVCCLYIX-UHFFFAOYSA-N 315.337 -0.296 30 20 DBED C[C@H](C#N)C(=O)N1CC(NC(=O)[C@@H](C)NC(=O)c2ccoc2)C1 1498230327 ZTLPHUVWDCCRJP-NXEZZACHSA-N 318.333 -0.115 30 20 DBED CCc1cc(C(=O)NC[C@H](O)CNC(=O)[C@H](C)C#N)n(C)n1 1501605893 VBGFEAVTELJSPK-MWLCHTKSSA-N 307.354 -0.651 30 20 DBED C#CCN(C1CCNCC1)S(=O)(=O)[C@@H]1CC(=O)N(CC)C1 1574614624 GSQZTMLNAQLPBR-CYBMUJFWSA-N 313.423 -0.376 30 20 DBED C[C@@H](C(=O)N[C@H]1CNCC2(CCOCC2)C1)n1cnc(C#N)n1 1575071183 XNODUBGVQOGEFL-NWDGAFQWSA-N 318.381 -0.014 30 20 DBED N#CCNC[C@H](O)CNC(=O)c1ccc(-c2cnn[nH]2)nc1 1577709775 CFTJWMSKAYBEOW-JTQLQIEISA-N 301.310 -0.929 30 20 DBED Cn1nnnc1NC(=O)[C@@H](C#N)Cc1ccc(-c2nn[nH]n2)cc1 1581848859 FGVROADFZHMPMY-SNVBAGLBSA-N 324.308 -0.289 30 20 DBED C#CCN(CC(=O)O)c1nnc([C@@H]2COCCN2C)n1CC=C 1588426865 FDEVRTDXGUMIRS-LBPRGKRZSA-N 319.365 -0.009 30 20 DBED C#CCN1CCC(NS(=O)(=O)[C@H]2C[C@@H](C(=O)O)C2)CC1 1588477056 UULWNZKTMPJFRF-KLPPZKSPSA-N 300.380 -0.133 30 20 DBED C=CCOC[C@@H](NC(=O)N(C)[C@H]1CCS(=O)(=O)C1)C(=O)O 1588857277 WOCKNYZQNIXMHO-VHSXEESVSA-N 320.367 -0.529 30 20 DBED C=CCOC[C@@H](NS(=O)(=O)C[C@@H](C)C(=O)OC)C(=O)O 1588867271 YRLWOISBQIVNRL-RKDXNWHRSA-N 309.340 -0.629 30 20 DBED C[C@H]1CC(=NC(=O)C2(C(=O)O)CCS(=O)(=O)CC2)NO1 1589294293 VUQBYRHVXIYORL-ZETCQYMHSA-N 304.324 -0.496 30 20 DBED Cn1cc(-c2nn[nH]n2)c(NS(=O)(=O)c2ccc(C#N)o2)n1 1592560209 SHMPJCOWHNAINC-UHFFFAOYSA-N 320.294 -0.134 30 20 DBED COC[C@](C)(C#N)NC(=O)Cc1ccc(-c2nn[nH]n2)nc1 1605041801 MCRCYAWSCXVNDV-ZDUSSCGKSA-N 301.310 -0.151 30 20 DBED CN(CCCc1[nH]nc(N)c1C#N)CCC(=O)N(C)CC(=O)O 1606126095 ZLGFYAKFUJBDHA-UHFFFAOYSA-N 322.369 -0.339 30 20 DBED C#CC[C@H](NC(=O)CNC(=O)COc1ccccc1)C(=O)O 1609078730 FNYKTFZUQAZKKY-LBPRGKRZSA-N 304.302 -0.226 30 20 DBED CS(=O)(=O)N1CCC(NC(=O)N2CCO[C@@H](C#N)C2)CC1 1649709880 HWRIWDMPWUUHQP-NSHDSACASA-N 316.383 -0.656 30 20 DBED COCCN(CCC#N)c1nnc(C)n1Cc1nnn(C)n1 1698059253 VEVDRZRFEJHZPO-UHFFFAOYSA-N 305.346 -0.475 30 20 DBED C#CCOCCC(=O)N[C@H]1CCN(CCN2C(=O)CCC2=O)C1 1713950045 QSYDRYLRJWWZJK-ZDUSSCGKSA-N 321.377 -0.634 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@@H](NC(=O)C(=O)C(C)(C)C)C1 1731372218 XMXPKXRNPSPTFE-VXGBXAGGSA-N 307.394 -0.070 30 20 DBED C#CCNC(=O)CNC/C=C/CNC(=O)[C@@H]1CCCCN1C 1732890227 TYCIMCJHSLSJRQ-GJBLVYBDSA-N 306.410 -0.518 30 20 DBED Cc1noc(C)c1C(=O)N[C@H]1C[C@@H](NCC(=O)NCC#N)C1 1752712313 GDJSDQUHWISPMS-PHIMTYICSA-N 305.338 -0.218 30 20 DBED C#CCNC(=O)CNC[C@H]1CCN(C(=O)[C@@H]2CCCOC2)C1 1752933230 ZOZDAWZRMXTVLL-ZIAGYGMSSA-N 307.394 -0.400 30 20 DBED CN(CC#N)[C@@H]1CCCN(C(=O)CCNS(C)(=O)=O)C1 1752992156 GTCFUCWNQNOTNX-LLVKDONJSA-N 302.400 -0.628 30 20 DBED C=CCn1cc(C(=O)NCC[C@@H](C)NCc2nncn2C)nn1 1753015478 LMHCMVVCOILWNO-LLVKDONJSA-N 318.385 -0.109 30 20 DBED CNC(=O)NC(=O)[C@H](C)N(C)CCNC(=O)CSCC#N 1753042689 AIXLNSOMFZFDCM-VIFPVBQESA-N 315.399 -0.865 30 20 DBED C=CCNC(=O)CN1CC(NC(=O)CCCn2cccn2)C1 1753399435 JNEQHBHTUGNKMD-UHFFFAOYSA-N 305.382 -0.234 30 20 DBED C#CCNC(=O)CN1CC(CNC(=O)c2c(F)cncc2F)C1 1753404353 BUVMTDIFJQUUKR-UHFFFAOYSA-N 322.315 -0.229 30 20 DBED C#CCCN1CC(CNC(=O)CS(=O)(=O)CCOC)C1 1753405050 ATIVMIIQQBAKHX-UHFFFAOYSA-N 302.396 -0.881 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H]1CC[C@H](NCC(=O)NCC#N)CC1 1753580388 DIEXJOYLVICGHC-MGPQQGTHSA-N 320.393 -0.319 30 20 DBED C#Cc1cncc(C(=O)N(C)CCN(C)CC(=O)NCC#N)c1 1753862571 DWDOWOVMDBAWLI-UHFFFAOYSA-N 313.361 -0.294 30 20 DBED C=CCNC[C@H](O)CNC(=O)c1ccnc(N2CCCC2)n1 1753916748 DPZSDGAQAYBLSB-LBPRGKRZSA-N 305.382 -0.057 30 20 DBED C#CCCNC[C@H]1CCCC[C@H]1NC(=O)CN1CCNC(=O)C1 1754345289 IYYQBDOXCHIABP-HUUCEWRRSA-N 320.437 -0.294 30 20 DBED COCC#CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)CN1CCCC1=O 1754418508 FGUXBZAPTJJMQQ-DVOMOZLQSA-N 305.378 -0.553 30 20 DBED CC[C@@H]1CN(C(=O)CCNC(=O)COC)CC[C@H]1NCC#N 1754463779 GKYUVLMIJMZRSF-CHWSQXEVSA-N 310.398 -0.121 30 20 DBED CC#CCN[C@@H]1CCN(C(=O)Cn2ncn(C)c2=O)C[C@H]1CC 1754464794 MMDHHUPOVHSGRW-ZIAGYGMSSA-N 319.409 -0.178 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CNC(=O)c1ncc(F)cc1F 1754488265 ZJXZQPRLOODQBJ-LLVKDONJSA-N 322.315 -0.087 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C1CN(C[C@@H]2CCc3ncnn32)C1 1754575168 NLNUTMKRDLIGJY-OLZOCXBDSA-N 317.393 -0.054 30 20 DBED C=C(C)CN[C@H](C)[C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 1754796357 AULOVBDGAVFMTK-ZIAGYGMSSA-N 308.426 -0.179 30 20 DBED C#CCN[C@H](C)[C@@H](C)NC(=O)Cn1ncn2nccc2c1=O 1755256632 NLCLMLGNLABRNK-GHMZBOCLSA-N 302.338 -0.993 30 20 DBED C[C@@H](NC(=O)C[C@](C)(O)C1CC1)C1CN(CC(=O)NCC#N)C1 1755373431 JZFRYPNXCCGORO-BZNIZROVSA-N 322.409 -0.386 30 20 DBED CC(=O)N(C)CC(=O)N[C@@H](C)CN(C)C(=O)CSCC#N 1756431580 JJPCLKPNMMXYLV-JTQLQIEISA-N 314.411 -0.315 30 20 DBED C=CCCC(=O)N(C)C[C@@H](C)NC(=O)Cn1nc(C)n(C)c1=O 1756436534 SADYLFZQOLRUGR-LLVKDONJSA-N 323.397 -0.180 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H](O)CN(C)C(=O)c1ncccn1 1756676555 JMIVEONKDSPUGU-VXGBXAGGSA-N 320.349 -0.936 30 20 DBED C=CCCC(=O)N1C[C@@H](NC(=O)CCn2cnnn2)[C@H](OC)C1 1757144324 PUIGDOTWMNCDRM-VXGBXAGGSA-N 322.369 -0.629 30 20 DBED O=C(O)Cn1cc(C=NN2C(=O)c3ccncc3C2=O)nn1 1776081570 VAGKPAJVSWEAKA-UHFFFAOYSA-N 300.234 -0.612 30 20 DBED O=C(O)COc1ccc(C=NNC2=NCCN2)cc1[N+](=O)[O-] 1776082348 LLHAIVWUBPOBAN-UHFFFAOYSA-N 307.266 -0.059 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnn(C)c1)CCO2 1783047889 LUOPLMWIEKZVMY-OAHLLOKOSA-N 302.334 -0.503 30 20 DBED CC(C)(C#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN)C[C@@H]21 1783682010 UOGMRIDOERTQBH-SRVKXCTJSA-N 308.382 -0.525 30 20 DBED CC(=O)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)S)C2)C1 1783890136 PEXXSJMBEJSKQP-GWCFXTLKSA-N 300.380 -0.276 30 20 DBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C)COC3)C2)C1 1839805047 BGVFHXJHDPREHC-INIZCTEOSA-N 322.361 -0.888 30 20 DBED CCOCCC(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846197252 LFQNIWHCWFVRSS-UHFFFAOYSA-N 308.334 -0.296 30 20 DBED C=C(Cl)COC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 11394754 FPOWTUUBKUQCNM-UHFFFAOYSA-N 312.713 -0.271 30 20 DBED COc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@H](C(N)=O)C1 50170945 PTUQTUTUQUZZAT-JTQLQIEISA-N 316.317 -0.161 30 20 DBED CC[C@@H]1CN(S(=O)(=O)N(C)CCC#N)CCN1C[C@@H](C)O 122679385 QFMTYLLIZFLQQQ-CHWSQXEVSA-N 318.443 -0.146 30 20 DBED CN(C[C@@H](O)CN1CCOCC1)c1ncc([N+](=O)[O-])cc1C#N 267527696 JBZBTWAKEBXOJZ-CYBMUJFWSA-N 321.337 -0.009 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1CC[C@@H]2NC(=O)OC[C@H]2C1 281319399 LDEKCTPSNSTPNY-AXFHLTTASA-N 310.354 -0.183 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)[C@@H](NC(=O)C2CC2)[C@H](C)O)C1=O 281695752 LSJXCIDGNMCRSC-DRZSPHRISA-N 323.393 -0.493 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)C1=O 287333161 DVQBBKXDDCOZRH-NDBYEHHHSA-N 321.377 -0.332 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@@H](C)OC[C@@H]2CC)C1=O 299694607 MWBVKADPZOPLKR-MNOVXSKESA-N 323.349 -0.011 30 20 DBED C[C@H](C/N=C(/O)N[C@@H]1CCCS(=O)(=O)C1)N1CCOCC1 329409494 XUHAKUSLCCWIEF-VXGBXAGGSA-N 319.427 -0.212 30 20 DBED N#Cc1ncn(CC(=O)N2CC(=O)N(CC(F)(F)F)C2)n1 331138834 DQNQDGHSTXPCSP-UHFFFAOYSA-N 302.216 -0.660 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@](C)(O)CN(C)C 336942231 KJSRMWGEEMLPLB-NEPJUHHUSA-N 306.432 -0.385 30 20 DBED CCN(CCC#N)S(=O)(=O)N1C[C@@H](C(N)=O)O[C@H](C)C1 336944032 MAKXDWGECBTUAC-ZJUUUORDSA-N 304.372 -0.959 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)NC[C@H]2CCC[C@@H](O)C2)CCO1 337057234 CYENYKBVZXGMIP-QJPTWQEYSA-N 303.384 -0.404 30 20 DBED N#Cc1ncn(CCNC(=O)NCCCO[C@@H]2CCOC2)n1 345241067 ZJFPFDQQYVXZFC-LLVKDONJSA-N 308.342 -0.355 30 20 DBED CN(CC(=O)NCC#N)C[C@H]1C[C@H](F)CN1Cc1ncccn1 348119508 MSKXQHRMBHFCFM-QWHCGFSZSA-N 320.372 -0.039 30 20 DBED N#CCC(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])cnc2O)CC1 348587453 IQEMLDBRTWZYBP-UHFFFAOYSA-N 319.277 -0.107 30 20 DBED CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)c2cnn(C)c2C#N)O1 356663394 FJCCLTMNGAEFBB-CABZTGNLSA-N 305.338 -0.343 30 20 DBED COCC1(C#N)CCN(C(=O)CN2CCN(C)C(=O)C2)CC1 357094659 OZEDXFWWSUWHGA-UHFFFAOYSA-N 308.382 -0.461 30 20 DBED C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NCC(=O)NCC#N 358295085 OOIQKWFTXASNLF-GFCCVEGCSA-N 323.397 -0.479 30 20 DBED COc1cc(C#N)ccc1OCC(=O)N1C[C@@H](O)C[C@@H]1CO 366630500 MPEXALIJTVRDPO-NEPJUHHUSA-N 306.318 -0.100 30 20 DBED C=CCN(C(=O)C(=O)N1C[C@@H](N)[C@H](c2cnn(C)c2)C1)C1CC1 424494836 OKOQTLNZGSMLCA-UONOGXRCSA-N 317.393 -0.150 30 20 DBED C=CCN(CC=C)C(=O)C(=O)N1C[C@@H](N)[C@H](c2cnn(C)c2)C1 424549548 RNUICRSSOBTEDA-UONOGXRCSA-N 317.393 -0.126 30 20 DBED N#Cc1ncn(CC(=O)NC[C@H](O)COc2ccc(F)cc2)n1 427066083 XVFQFVYGXQQNNQ-NSHDSACASA-N 319.296 -0.155 30 20 DBED CNC(=O)CN1CCN(S(=O)(=O)c2cccnc2C#N)CC1 428235779 CSIALXWFYLZVQJ-UHFFFAOYSA-N 323.378 -0.994 30 20 DBED N#Cc1ccc(NCC(=O)NC[C@H]2CCCN2CCCO)nc1 452772877 AAMSBIFMIJUAQJ-CQSZACIVSA-N 317.393 0.328 30 20 DBED C=C(CC)CNC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 456825908 HTNXGPAJQKVYNV-UHFFFAOYSA-N 319.365 -0.094 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@@H](OC)C(C)C)CC1 490986021 PSZYQGKSRVXNPD-HNNXBMFYSA-N 309.410 -0.059 30 20 DBED C=CCCOCCNC(=O)N[C@H]1CCN(S(C)(=O)=O)C1 567506487 QIKBWBVCRPPJSD-NSHDSACASA-N 305.400 -0.088 30 20 DBED C[C@H]1CS(=O)(=O)C[C@H]1NS(=O)(=O)N(C)[C@H](C)CC#N 588907215 CIVHDXNWEJXSLB-IVZWLZJFSA-N 309.413 -0.512 30 20 DBED CN(Cc1ccc(C#N)cc1)C(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 590420672 OCZRFZWOUABGKR-RBSFLKMASA-N 302.330 -0.071 30 20 DBED N#Cc1nc(NC(=O)Cn2nc3n(c2=O)CCCC3)[nH]c1C#N 593894206 YGCGRIGMHXZOGK-UHFFFAOYSA-N 312.293 -0.514 30 20 DBED C[C@H]1CCCN(c2c(C#N)c(=O)n(C)c(=O)n2C)[C@H]1CCN 596013233 FXXGWGFCCFENGY-JQWIXIFHSA-N 305.382 -0.091 30 20 DBED C[C@H](CO)[C@H]1CCCCN1c1c(C#N)c(=O)n(C)c(=O)n1C 596437254 VFFDWHFOWPYVJT-ZYHUDNBSSA-N 306.366 -0.057 30 20 DBED N#Cc1ccc(CNC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)c(F)c1 597160649 IEINQDAAXYMJOA-MGPQQGTHSA-N 306.293 -0.274 30 20 DBED N#C[C@@H](CO)NC(=O)[C@H]1COCC(=O)N1Cc1ccccc1 597746079 ICUYKPBCVIHMHQ-QWHCGFSZSA-N 303.318 -0.585 30 20 DBED CC(C)N[C@@H]1CCCN(c2c(C#N)c(=O)n(C)c(=O)n2C)C1 604539755 GUJKGAIRNQTESV-LLVKDONJSA-N 305.382 -0.078 30 20 DBED CC#CC[C@H](CO)NC(=O)C(=O)Nc1ccc2c(c1)nnn2C 646949974 QIUPCNDGVIQWLY-LLVKDONJSA-N 315.333 -0.203 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(C[C@@H](C)O)C2CC2)C1=O 655377385 DAGRMESIENGPGK-SECBINFHSA-N 309.322 -0.665 30 20 DBED C#CCSCCNC(=O)N1CCN(S(C)(=O)=O)CC1 740487768 MHCUUKWNXFRYLE-UHFFFAOYSA-N 305.425 -0.360 30 20 DBED C#C[C@@H](NCCNS(=O)(=O)CCCOC)[C@H]1CCCO1 775801212 WUGCWPFIAHZOJS-CHWSQXEVSA-N 304.412 -0.287 30 20 DBED N#CCCCS(=O)(=O)NC(=O)CCC(=O)N1CCOCC1 776119642 VTTTUUQWRCEOAU-UHFFFAOYSA-N 317.367 -0.625 30 20 DBED C[C@H]1CC(=NC(=O)COCC(=O)NCc2cccnc2)NO1 777437832 ZGJOORNHWMZLIN-JTQLQIEISA-N 306.322 -0.047 30 20 DBED CN(Cc1cccc(C#N)c1)C(=O)C(=O)NCCS(C)(=O)=O 788390082 GVAVUPHVTLBLOC-UHFFFAOYSA-N 323.374 -0.323 30 20 DBED C#CCCN1CCN(S(=O)(=O)CCCOC(C)=O)CC1 804970048 LRPRDQMKBDXNDO-UHFFFAOYSA-N 302.396 -0.090 30 20 DBED C#CCCS(=O)(=O)N1CCN(CC(=O)N2CCCC2)CC1 808279191 WVSCBQUHNWUPKQ-UHFFFAOYSA-N 313.423 -0.421 30 20 DBED C=CCNC(=O)NC(=O)CN(C)[C@H](COC(C)C)C(=O)O 825687131 CHDKZABEUZMPNW-SNVBAGLBSA-N 301.343 -0.192 30 20 DBED N#CCNC(=O)COC(=O)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 826381840 AZCFGIJSTUWDDQ-NSHDSACASA-N 316.277 -0.917 30 20 DBED C#C[C@H](NC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C)[C@H]1CCCO1 842163524 MTNQVKUKLVAKRL-MROQNXINSA-N 323.393 -0.487 30 20 DBED C#CCO[C@H](C)C(=O)N1CCN(S(=O)(=O)C2CC2)CC1 862630867 HCSDVOROEVLPIE-LLVKDONJSA-N 300.380 -0.339 30 20 DBED C#CCN1CCC[C@@H](NS(=O)(=O)N2CCCOCC2)C1 885508916 NPBPTDMFYORVEY-CYBMUJFWSA-N 301.412 -0.359 30 20 DBED C=CCC1(O)CCN(C(=O)Cn2ccc(=O)n(C)c2=O)CC1 899586935 MAIQWQYBPOXGLB-UHFFFAOYSA-N 307.350 -0.523 30 20 DBED CS(=O)(=O)N1CCC[C@H]1C(=O)Nc1nc(C#N)c(C#N)[nH]1 914532773 WYWJLSNLNDITDC-VIFPVBQESA-N 308.323 -0.484 30 20 DBED C#CC[C@H](CO)NC(=O)NCC(=O)N(C)CCc1ccccn1 916457045 ARMDUAHORQSMOF-CQSZACIVSA-N 318.377 -0.234 30 20 DBED CC(C)c1nnnn1CC(=O)N[C@H]1CCN(C(=O)[C@@H](C)C#N)C1 938018199 YENCNBJAQMXFHH-QWRGUYRKSA-N 319.369 -0.327 30 20 DBED CC(=O)N1CC(C(=O)N(C)[C@H]2CCN(C(=O)[C@H](C)C#N)C2)C1 939394979 BHMRZCSLDGAEBZ-MFKMUULPSA-N 306.366 -0.316 30 20 DBED O=C(C[C@H]1CCNC1=O)N[C@@H]1CCN(C(=O)C#CC2CC2)C1 940887942 UAKRAMUBESHAOW-CHWSQXEVSA-N 303.362 -0.357 30 20 DBED O=C(NC[C@@H]1CN(C(=O)C#CC2CC2)CCO1)c1csnn1 944680336 BXFKQICGQDYGHT-LLVKDONJSA-N 320.374 -0.091 30 20 DBED CN1CCOC[C@H]1C(=O)NC[C@H]1CCN1C(=O)C#CC1CC1 949482676 YEMYBSRGQXOXKM-KGLIPLIRSA-N 305.378 -0.553 30 20 DBED CN(C(=O)[C@@]1(C)CNC(=O)C1)C1CN(C(=O)C#CC2CC2)C1 954804758 GKYSAPVQSZBQFG-MRXNPFEDSA-N 303.362 -0.405 30 20 DBED COc1cc(C(=O)NC[C@@H]2CN(CC#N)C[C@@H]2O)cc(OC)n1 958219248 ICIABRSOTCHEJO-NEPJUHHUSA-N 320.349 -0.355 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](CNC(=O)c2cc(=O)c(OC)c[nH]2)C1 958261766 AOZVSYJHIIXKTH-BXUZGUMPSA-N 321.377 -0.018 30 20 DBED N#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cccc(NC(N)=O)c2)C1 958658014 SKMQCKIJBOGJJH-WCQYABFASA-N 317.349 -0.277 30 20 DBED N#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cc(C(N)=O)cs2)C1 958728240 MOGBKKRNZPDVQT-VHSXEESVSA-N 308.363 -0.607 30 20 DBED O=C(NC[C@H]1COCCN1C(=O)C#CC1CC1)[C@H]1COCCO1 964092873 MLXFEOWXTBFOPC-UONOGXRCSA-N 322.361 -0.841 30 20 DBED O=C(NC[C@H]1COCCN1C(=O)C#CC1CC1)c1cncnc1 964153026 ADUBFDUWNONELT-AWEZNQCLSA-N 314.345 -0.153 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H](NC(=O)Cn2cnnn2)CC1 964710881 SMFHPWCPWQYGBD-QWRGUYRKSA-N 305.342 -0.670 30 20 DBED CCN(C(=O)c1cn(C)nn1)C1CN(C(=O)C#CC2CC2)C1 967931435 JBVAPPZFXTZFJG-UHFFFAOYSA-N 301.350 -0.099 30 20 DBED C#CCN1CC([C@H](C)NC(=O)[C@H]2C[C@H](OC)CN2C(C)=O)C1 970213335 MDYOAUSZCMEQJR-TUKIKUTGSA-N 307.394 -0.308 30 20 DBED Cn1c(C(=O)N2CC[C@]3(CN(CC#N)CCO3)C2)cccc1=O 972545322 HIOWBJAUVOKPIB-INIZCTEOSA-N 316.361 -0.174 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3COCCO3)C2)c1 973032044 ZZGVXSFRIXGJLR-GVXVVHGQSA-N 318.333 -0.321 30 20 DBED CN1CC[C@H](C(=O)N[C@H]2[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]32)C1=O 977000684 JCMIVPPUNMZUCL-CXTNEJHOSA-N 315.373 -0.549 30 20 DBED C=CCCN1C[C@@H]2C(CNC(=O)c3nnc(O)nc3O)[C@H]2C1 978411259 JUFSUMLTWLIOKS-NXEZZACHSA-N 305.338 -0.234 30 20 DBED C[C@@H]1[C@@H](NC(=O)Cn2ncnn2)CCN1C(=O)C#CC1CC1 988174681 MLDMFJMUZQYZHT-PWSUYJOCSA-N 302.338 -0.808 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(NCCN2C(=O)CNC2=O)CC1 990314020 JGPJGRPPWZMITR-JTQLQIEISA-N 307.354 -0.722 30 20 DBED N#CCN1CC[C@@]2(NC(=O)Cn3cnc(C(N)=O)n3)CCC[C@@H]12 990766580 WFICKOHVWNQMEK-YGRLFVJLSA-N 317.353 -0.986 30 20 DBED C#CCN1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCC(=O)N3)nn2)C1 1000035616 PIOXDIRICRVZRI-OLZOCXBDSA-N 316.365 -0.947 30 20 DBED C[C@@H]1CCN(C(=O)C(=O)NC2CN(C(=O)C#CC3CC3)C2)C1 1000161578 OYTPVLRVXIVXRF-LLVKDONJSA-N 303.362 -0.405 30 20 DBED C=CCN[C@@H]1CCCN(C(=O)c2cn(C)c(=O)n(C)c2=O)C1 1000367571 IOOCXQMUAUMEIZ-LLVKDONJSA-N 306.366 -0.536 30 20 DBED CN(C[C@H]1CCCN1C(=O)C#CC1CC1)C(=O)[C@H]1C[C@H]1C(N)=O 1002488607 NXYYQWPBTVLWKC-MCIONIFRSA-N 317.389 -0.029 30 20 DBED C[C@@H](C#N)C(=O)N1CC(CNC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 1004448947 FNPXQNKPBSUHKZ-ZMLRMANQSA-N 306.366 -0.555 30 20 DBED C[C@@H]1C[C@H](NC(=O)c2ncn(C)n2)CN1C(=O)C#CC1CC1 1012583255 XPNJLFCUDYXRFN-PWSUYJOCSA-N 301.350 -0.052 30 20 DBED C[C@H]1C[C@@H](NC(=O)c2nnn(C)n2)CN1C(=O)C#CC1CC1 1012590482 JVZXUYLUFWGQFU-GXSJLCMTSA-N 302.338 -0.657 30 20 DBED C#Cc1ccc(C(=O)NC2[C@H]3CN(C(=O)c4nc[nH]n4)C[C@H]23)cn1 1013514027 VLBWVCNVMOXXSF-RYUDHWBXSA-N 322.328 -0.319 30 20 DBED C[C@H]1[C@H](NC(=O)c2nnn(C)n2)CCCN1C(=O)C#CC1CC1 1015124070 CBWUDSNYESYROE-CMPLNLGQSA-N 316.365 -0.267 30 20 DBED O=C(C#CC1CC1)N1CCC2(C1)CN(C(=O)Cn1nccn1)C2 1019054332 ISRJJHDGRYDLTP-UHFFFAOYSA-N 313.361 -0.248 30 20 DBED C[C@H](C#N)C(=O)N1CCC2(C1)CN(C(=O)[C@@H]1CC(=O)N(C)C1)C2 1019099088 PGSDTLKJFVOYCT-VXGBXAGGSA-N 318.377 -0.315 30 20 DBED C[C@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1O 1025113686 ZMQFKVOGWHSPNP-LOHPEHISSA-N 302.334 -0.156 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)c3cn(C)nc3C)C2)C1=O 1030162239 FOSQKXGAHPMULS-AWEZNQCLSA-N 317.393 -0.071 30 20 DBED C=CCN1CCO[C@@H](CNC(=O)[C@@H]2CCc3nnn(C)c3C2)C1 1035490878 LVKXYTDRCBNTBU-OLZOCXBDSA-N 319.409 -0.077 30 20 DBED C#CCCN1CC[C@@H]2CN(C(=O)C3CC(=O)NC(=O)C3)CC[C@H]21 1036843002 XSSONXFYXFWNJJ-TZMCWYRMSA-N 317.389 -0.015 30 20 DBED C#CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1ccc(=O)n(CCOC)n1 1037503310 QZDOABSRZPAWHY-OSAQELSMSA-N 316.361 -0.675 30 20 DBED N#CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1ccc(OCC(N)=O)cc1 1037507744 ULVZKBDURRFVCH-OSAQELSMSA-N 314.345 -0.123 30 20 DBED N#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CN1CCOCC1=O 1039386073 WLBVQTFEEIBFOU-OLZOCXBDSA-N 306.366 -0.566 30 20 DBED N#CCSCC(=O)N1CC[C@@](O)(CNC(=O)c2ncc[nH]2)C1 1039659951 LRJRXDRRIODATJ-CYBMUJFWSA-N 323.378 -0.640 30 20 DBED CC(=O)N[C@H](C)C(=O)N1CC[C@@](O)(CNC(=O)C#CC2CC2)C1 1039677208 FQFYBBSPOBPSFG-BDJLRTHQSA-N 321.377 -0.996 30 20 DBED C=CCCC(=O)N1CC[C@](O)(CNC(=O)C[C@@H]2CCC(=O)N2)C1 1040285669 UOXLIRLZCHZMAP-LRDDRELGSA-N 323.393 -0.299 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)COCC(F)F)C1 1040343180 XGPFQHNQUCTVQK-NOZJJQNGSA-N 319.308 -0.493 30 20 DBED C[C@H]1CN(C(=O)C(N)=O)CC[C@H]1CNc1ccc(C#N)nn1 1040444128 YAKSQUUXXVDBKN-UWVGGRQHSA-N 302.338 -0.270 30 20 DBED C=CCCCC(=O)NC[C@@]1(O)CCN(C(=O)c2ncn(C)n2)C1 1040730009 UWQJORIEFVMSOW-HNNXBMFYSA-N 321.381 -0.135 30 20 DBED CCn1cc(C(=O)N2CC[C@@](O)(CNC(=O)[C@@H](C)C#N)C2)cn1 1040763149 NWKOTVKOIZVNFK-XHDPSFHLSA-N 319.365 -0.244 30 20 DBED C#CCOc1ncccc1C(=O)N1CC(O)(CNC(=O)CC)C1 1041026070 GIRZXHFLRCXIJW-UHFFFAOYSA-N 317.345 -0.193 30 20 DBED Cc1n[nH]cc1C(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1O 1041271117 UEVJRRWXBMGZSR-CHWSQXEVSA-N 312.333 -0.036 30 20 DBED N#Cc1cccnc1N1C[C@@H](O)[C@H](NC(=O)[C@]2(F)CCOC2)C1 1041304400 LKWXUFAKULFGCM-JMSVASOKSA-N 320.324 -0.252 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)[C@]2(C)CCC(=O)N2)C1 1041960857 XSMUDDUYYHRLFB-AWEZNQCLSA-N 309.366 -0.689 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)[C@@H](C)NC(=O)CC)C1 1042805922 VNVAGWYROKQXTL-GFCCVEGCSA-N 323.393 -0.606 30 20 DBED Cc1ccnc(C(=O)N2CC(O)(CNC(=O)C#CC(C)C)C2)n1 1042936847 ROSVKWIVQIWWJA-UHFFFAOYSA-N 316.361 -0.252 30 20 DBED Cc1nccc(C(=O)N2CC(O)(CNC(=O)C#CC(C)C)C2)n1 1042941011 JMEVLISCQIOEMO-UHFFFAOYSA-N 316.361 -0.252 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)[C@H](OC)C2CC2)C1 1043032721 GXVZEAXCYGFDJR-CQSZACIVSA-N 324.377 -0.859 30 20 DBED CN1C[C@H](C(=O)N2CCN([C@H]3CCN(CC#N)C3)CC2)CC1=O 1046033226 BHLHBOUBSVWFRT-KGLIPLIRSA-N 319.409 -0.793 30 20 DBED C=CCN1CC[C@H](N2CCN(C(=O)[C@@H]3CNC(=O)N3)CC2)C1 1046058968 WPGQOXDLXCYBIC-STQMWFEESA-N 307.398 -0.928 30 20 DBED Cn1ncc(C(=O)NC[C@H]2C[C@@H](N=c3cc[nH]c(C#N)n3)C2)n1 1046411039 YCIGIDVRUIDGOX-AOOOYVTPSA-N 312.337 -0.481 30 20 DBED Cc1ncc2n1C[C@@H](C(=O)N(C)[C@H]1CN(CC#N)C[C@@H]1O)CC2 1047501313 BOXCMXDCNKGUIT-QEJZJMRPSA-N 317.393 -0.219 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3nnc(O)n3c2)C1 1047564529 TUYSGWGMLKMYRK-RYUDHWBXSA-N 317.349 -0.262 30 20 DBED C=C(C)CCN1C[C@H]2CN(C(=O)CN3CC(=O)NC3=O)C[C@H]2C1 1049118235 RJOSVRGHDAWARM-BETUJISGSA-N 320.393 -0.105 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)CCCN(C)C)C[C@@H]1O 1049395772 YFJCCLUSVIPNAO-AGIUHOORSA-N 310.398 -0.482 30 20 DBED C#CCN1C[C@@H]2CCCN(C(=O)CN3CC(=O)N(C)C3=O)[C@@H]2C1 1050180390 DIODYLBQBPCYKM-QWHCGFSZSA-N 318.377 -0.564 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)c1nnn(C(C)(C)C)n1 1050927121 IEOMAUONCDUSFR-NSHDSACASA-N 306.370 -0.508 30 20 DBED C#CCCN1CCOC[C@@H]1CNC(=O)c1cc(C(N)=O)co1 1051109893 QCWZHXZKGKJERQ-LBPRGKRZSA-N 305.334 -0.168 30 20 DBED C=CCCN1CCC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)CC1 1052395238 NTPYZCVPAPORSX-LBPRGKRZSA-N 320.397 -0.076 30 20 DBED CNC(=O)CC(=O)NC[C@@H]1CN(C(=O)C#CC(C)C)C[C@H]1C 1052530766 UNPFTFRKIUTLCR-CHWSQXEVSA-N 307.394 -0.007 30 20 DBED Cn1cnnc1CN1CC2(C1)CN(C(=O)C#CC1CC1)CCO2 1053249949 GHAAVPJXAGWRTK-UHFFFAOYSA-N 315.377 -0.358 30 20 DBED C#CCN1CC2(C1)CN(C(=O)c1cnn3c1OCCC3)CCO2 1053328627 CCRQLBSOIHEDBW-UHFFFAOYSA-N 316.361 -0.174 30 20 DBED C[C@@H]1CN(C(=O)Cc2nc[nH]n2)C[C@H]1CNC(=O)C#CC1CC1 1053480121 UOSHTVQARDGTEG-DGCLKSJQSA-N 315.377 -0.029 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)c3ccoc3CC(N)=O)CO2)C1 1053908294 PBUCAMVBMYAVBP-JTQLQIEISA-N 318.333 -0.596 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)c3cn(CCC)nn3)CO2)C1 1053969793 YCNOURWJJUADEC-GFCCVEGCSA-N 303.366 -0.106 30 20 DBED N#Cc1cncc(N2CCN(C(=O)CCc3cnn[nH]3)CC2)n1 1056024508 GSXWPGYPHDRSTC-UHFFFAOYSA-N 312.337 -0.252 30 20 DBED C=C[C@@H](CC)CC(=O)N1CCC[C@](CO)(NC(=O)C(N)=O)C1 1056090321 COLIBYAOOUELQT-NHYWBVRUSA-N 311.382 -0.456 30 20 DBED CCc1nc(C#N)cc(N(C)[C@@H]2CCN(C(=O)CC(N)=O)C2)n1 1056877849 HHQOZRWGUWQALG-LLVKDONJSA-N 316.365 -0.177 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)[C@@H](CC)OCC 1057193941 VADVNYIINBXTND-CYBMUJFWSA-N 316.398 -0.059 30 20 DBED C#CCNC(=O)CC(=O)N(CCO)CCNC(=O)CC(C)C 1057390567 GNPMGLKCNKNBQU-UHFFFAOYSA-N 311.382 -0.891 30 20 DBED C=C[C@@](C)(O)CC(=O)N(CCO)CCNC(=O)c1cncnc1 1057450290 OPFKDNUMFSBGOS-OAHLLOKOSA-N 322.365 -0.646 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)[C@H]1CCC(=O)NC1 1058051878 AILNJXRWQNVMFD-ZDUSSCGKSA-N 323.393 -0.891 30 20 DBED C=C[C@@H](C)[C@H](C)C(=O)N(CCO)CCNC(=O)c1cnn[nH]1 1058438102 PIACHZYARQMHNN-MNOVXSKESA-N 309.370 -0.186 30 20 DBED N#Cc1nccc(N2CC[C@H](NC(=O)[C@H]3CCCNC3=O)C2)n1 1058467460 MJLDPORIEIWKGQ-QWRGUYRKSA-N 314.349 -0.431 30 20 DBED C=CCCCC(=O)NCCN(CCO)C(=O)C1(C(N)=O)CC1 1058634243 LBSGUZPVUMZMLM-UHFFFAOYSA-N 311.382 -0.455 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)c1cc(C2CC2)[nH]n1 1058658771 LBUXCQCERQUBNX-SNVBAGLBSA-N 319.365 -0.003 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](CCNC(=O)Cn2cnnn2)C1 1060288519 ANTFBJNTMDEAKP-QWRGUYRKSA-N 305.342 -0.812 30 20 DBED C=CCOCC(=O)NC[C@@H]1COCCN1C(=O)c1cc(C)[nH]n1 1061421317 MVGZXBVSYBMFIK-GFCCVEGCSA-N 322.365 -0.122 30 20 DBED Cc1cc(C(=O)N2CCOC[C@H]2CNC(=O)[C@@H](C)C#N)n(C)n1 1061845940 LZRSKZHOKNKCBK-CMPLNLGQSA-N 319.365 -0.155 30 20 DBED COc1nc(C(=O)N2CCOC[C@@H]2CNC(=O)[C@@H](C)C#N)co1 1061854327 YBUZZTHICMMNIB-UWVGGRQHSA-N 322.321 -0.200 30 20 DBED C#CCO[C@@H](C)C(=O)NC1(CNC(=O)c2cnnn2C)CCC1 1062900868 HNWHVXFABPVHCF-NSHDSACASA-N 319.365 -0.378 30 20 DBED CN(C(=O)[C@@H]1CCNC1=O)[C@H]1CCN(c2ccnc(C#N)n2)C1 1063004244 CGYQMGHSDVMSOF-WDEREUQCSA-N 314.349 -0.479 30 20 DBED N#Cc1ccc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)Cn2nccn2)nn1 1064301055 MTNLKXXSOLTLPC-PUYPPJJSSA-N 310.321 -0.667 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@H](CNC(=O)Cc2cnc[nH]2)C1 1065557389 QFSHDPTVDWCQLV-CMPLNLGQSA-N 305.338 -0.545 30 20 DBED CN(C(=O)c1cnon1)[C@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1065600010 XOKVAWPKRFISND-QWRGUYRKSA-N 315.293 -0.947 30 20 DBED N#Cc1ccc(N2C[C@H]3CCN(C(=O)C(N)=O)CC[C@H]3C2)nn1 1067458445 FYPDEFUGCHHCAA-PHIMTYICSA-N 314.349 -0.492 30 20 DBED C=CCCC(=O)N1CC2(CN(C(=O)CCNC(N)=O)CCO2)C1 1068396492 MLUTVICJTTXLOX-UHFFFAOYSA-N 324.381 -0.549 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1COC2(C1)CN(C(=O)c1cnn(C)n1)C2 1069004533 WTNNKCPVSQPLON-VHSXEESVSA-N 318.337 -0.926 30 20 DBED C=CCOCC(=O)N1CCC[C@@H](NC(=O)[C@]2(C)CCC(=O)N2)C1 1070552606 ZVTRIKANASCQQZ-WBMJQRKESA-N 323.393 -0.035 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@@H](NC(=O)[C@H](C)C#N)C1 1070636102 IMZGUNCXIFKUJK-VXGBXAGGSA-N 304.350 -0.607 30 20 DBED CC#CCN1C[C@H]2C[C@@H]3CN(C(=O)Cn4nccn4)C[C@@]3(C1)O2 1070806998 XONAJVUEAKPZTD-IIAWOOMASA-N 315.377 -0.397 30 20 DBED C#CCCN1CCNC(=O)CCN(C(=O)C2=COCCO2)CC1 1070936468 NBFYHYIVOYMCTJ-UHFFFAOYSA-N 321.377 -0.452 30 20 DBED CCc1n[nH]cc1C(=O)N1CCC(=O)NCCN(CC#N)CC1 1070976762 PJOPVMBADNGYII-UHFFFAOYSA-N 318.381 -0.240 30 20 DBED C=C(C)CN1CCNC(=O)CCN(C(=O)[C@@H]2CCC(=O)N2)CC1 1071016510 MZXNGFBOVJMYGX-ZDUSSCGKSA-N 322.409 -0.508 30 20 DBED CC#CCN1C[C@H](NC(=O)Cn2cnc(C(N)=O)n2)CC[C@H]1C 1071517190 FNWHZCQQGJTXBA-VXGBXAGGSA-N 318.381 -0.631 30 20 DBED C#CCN1CC[C@H](N(Cc2cn(C)c(=O)n(C)c2=O)C(C)=O)C1 1072134693 XTCVECJVEFRNBK-AWEZNQCLSA-N 318.377 -0.860 30 20 DBED C=CCCOCC(=O)N1C[C@H](C)[C@H](NC(=O)c2ncn(C)n2)C1 1072333342 MRWUBUYVBMHDCV-NWDGAFQWSA-N 321.381 -0.016 30 20 DBED C=CCCOCC(=O)N[C@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1C 1072390188 MZYUYVAUQJBSNE-YPMHNXCESA-N 321.381 -0.016 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(CCN(CC(=O)NC)C2)C1 1072994421 ABBDNXYUCYJWCL-OLZOCXBDSA-N 307.394 -0.142 30 20 DBED CNC(=O)NCC(=O)N1CCC(C)(NC(=O)[C@H](C)C#N)CC1 1073088680 STFMTQXJGNHQEL-SNVBAGLBSA-N 309.370 -0.428 30 20 DBED N#CCN1CCCO[C@H](CNC(=O)c2cc3n(n2)CCO3)C1 1073636945 LNUSYVMIRCVPKK-LLVKDONJSA-N 305.338 -0.380 30 20 DBED CC#CCN1CCCO[C@@H](CNC(=O)[C@H]2CCCC(=O)N2)C1 1073652023 MXFOHWKKYRVACK-UONOGXRCSA-N 307.394 -0.115 30 20 DBED CC(C)C#CC(=O)NCC1(O)CCN(C(=O)c2cnon2)CC1 1074688064 JTFMCJHIUDPQFN-UHFFFAOYSA-N 320.349 -0.188 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(C(=O)CC(=O)NC)[C@@H](C)C1 1074891390 GKXOKVYTJBOIRD-NWDGAFQWSA-N 311.382 -0.179 30 20 DBED C[C@@H](CCNC(=O)[C@H](C)NC(N)=O)NC(=O)c1ccc(C#N)[nH]1 1076267035 AQKXDDQHVQOMKJ-IUCAKERBSA-N 320.353 -0.432 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN2C(=O)C2CC2)C1 1077792530 NAGURCKQGXUCJZ-QLFBSQMISA-N 319.405 -0.428 30 20 DBED CN(C)C(=O)c1ccc(C(=O)N[C@@H]2CN(CC#N)C[C@H]2O)cc1 1078021968 QFIXTVAQOQPLSM-ZIAGYGMSSA-N 316.361 -0.313 30 20 DBED C#CCCCC(=O)N1CC(N(CC)C(=O)[C@H]2CN(C)C(=O)N2)C1 1080216106 KZNGOMOCWYSVGZ-CYBMUJFWSA-N 320.393 -0.127 30 20 DBED C#CCN[C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1c1ccccc1 1081085877 TYYKWHHMVSCLOZ-LSDHHAIUSA-N 310.361 -0.110 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cn(C)nn2)C1 1081452083 CZCULJFYUUKQHH-YPMHNXCESA-N 319.365 -0.976 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)CC2(O)CCC2)C[C@@H]1O 1081463344 LWKQETKJXDCZCD-KGLIPLIRSA-N 322.405 -0.114 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CC(=O)N(C)C)C1 1081497617 YZKJGJVUHNIVRZ-QWHCGFSZSA-N 323.393 -0.940 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)C[C@H]1CCCC(=O)N1 1083137868 VAEXPEICGFOYPO-HZSPNIEDSA-N 305.378 -0.410 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CCCc2nn[nH]c21 1083177611 FEPCDLSLSBPAKO-FPMFFAJLSA-N 315.377 -0.231 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)c2ccnc3[nH]nnc23)C1 1083629603 BZWDHRWDIASGDV-MNOVXSKESA-N 302.338 -0.296 30 20 DBED C=CCN[C@H]1C[C@H](CNC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 1086442757 MNQVAJHKGLDXTQ-XYPYZODXSA-N 316.369 -0.022 30 20 DBED C#CCN1CC[C@H](NC(=O)c2nnc3ccccc3n2)[C@@H](O)C1 1090434553 ZTGRTKNSMOXVQJ-KBPBESRZSA-N 311.345 -0.177 30 20 DBED Cc1nsc(N2C[C@@H](NC(=O)CNC(N)=O)[C@H](C)C2)c1C#N 1090649073 DNWLILWEWXMOAK-GMSGAONNSA-N 322.394 -0.068 30 20 DBED CNC(=O)CC(=O)NCC1CC(Nc2cnc(C#N)cn2)C1 1092214252 OCLVMHCAZYZCGV-UHFFFAOYSA-N 302.338 -0.209 30 20 DBED C=CCN1C[C@@H](C)[C@H](CNC(=O)c2cc(=O)n3[nH]cnc3n2)C1 1093131325 KVIDESXYENEPHT-GHMZBOCLSA-N 316.365 -0.099 30 20 DBED Cc1cc(C#N)nc(NCCNC(=O)C[C@H](C)NC(N)=O)n1 1093884379 ADWPSXKVUXTMSI-VIFPVBQESA-N 305.342 -0.368 30 20 DBED N#CCN1CC(N2C[C@@H](NC(=O)c3cc(C#N)c[nH]3)CC2=O)C1 1094721206 WTVRJRGQIBEFAM-NSHDSACASA-N 312.333 -0.575 30 20 DBED C#CCN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1CC(=O)NC(=O)C1)C2 1095015700 BDXCWQJCUXUWQZ-DRZSPHRISA-N 303.362 -0.359 30 20 DBED CN(C)C(=O)CC(=O)N1CCC[C@@H](N=c2cc[nH]c(C#N)n2)C1 1095328770 OWUWFVRRNIPTOT-LLVKDONJSA-N 316.365 -0.349 30 20 DBED N#Cc1cnc(N[C@H]2C[C@@H](NC(=O)CCNC(N)=O)C2)cn1 1097183793 BZAVKYXUCLPZNA-DTORHVGOSA-N 303.326 -0.534 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H](C)N=c1cc[nH]c(C(=O)OC)n1 1098061538 PFAVPWJFNADCCB-MNOVXSKESA-N 320.349 -0.360 30 20 DBED Cc1cc(C#N)nc(N[C@H](C)CNC(=O)Cn2nccn2)n1 1098078018 PEGQUZLOQCSFBR-SNVBAGLBSA-N 300.326 -0.135 30 20 DBED C=CCCN(CCO)C1CCN(C(=O)CCn2cnnn2)CC1 1098509354 DCYLZPCVLNJQFG-UHFFFAOYSA-N 322.413 -0.075 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)CCn2cccn2)[C@H](O)C1 1099684160 NYEJOFIUZJMQLP-HUUCEWRRSA-N 320.393 -0.526 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)c2ccnn2C)[C@H](O)C1 1099712031 JOQYSOKHBXTTKF-GXTWGEPZSA-N 308.382 -0.212 30 20 DBED NC(=O)CC(=O)N[C@@H]1CCN(CC#Cc2ccccc2)C[C@@H]1O 1099757802 JZMVLVXSJWHPND-CABCVRRESA-N 315.373 -0.535 30 20 DBED Cc1cc(N(C)CCNC(=O)C2CS(=O)(=O)C2)c(C#N)cn1 1100164879 BICPYMBVVIRLPB-UHFFFAOYSA-N 322.390 -0.141 30 20 DBED CCS(=O)(=O)N[C@@H](C)C(=O)NCC1CC(NCC#N)C1 1100351041 JENOHJTZGHRINM-WHXUTIOJSA-N 302.400 -0.678 30 20 DBED CCN(CCNC(=O)CNC(=O)OC)c1nc(C)cc(C#N)n1 1100451477 OLWWDUQPFIKVJE-UHFFFAOYSA-N 320.353 -0.045 30 20 DBED C#CCNC1CC(CNC(=O)[C@H](Cc2cnc[nH]2)NC(C)=O)C1 1100633979 YVCKOXYPHNQLEO-PIMMBPRGSA-N 317.393 -0.426 30 20 DBED Cn1nncc1C(=O)NCCN(c1ccnc(C#N)n1)C1CC1 1101341586 KOVGFPZTBQZVBT-UHFFFAOYSA-N 312.337 -0.124 30 20 DBED CNC(=O)CC(=O)NCC[C@@H]1CCN(c2ccnc(C#N)n2)C1 1102312372 WZRZUSPTKCHKKI-LLVKDONJSA-N 316.365 -0.183 30 20 DBED CCN(C(=O)CNC(C)=O)[C@H]1CCN(c2ccc(C#N)nn2)C1 1102772012 ZUNVMCIFIKJTHY-ZDUSSCGKSA-N 316.365 -0.088 30 20 DBED C[C@H](CN=c1cc[nH]cc1C#N)CNC(=O)C[C@H](C)NC(N)=O 1104099977 VGLDTUWIAIFEEG-MNOVXSKESA-N 318.381 -0.014 30 20 DBED Cc1cc(N2CCO[C@H](CNC(=O)[C@@H](C)C#N)C2)nc(CO)n1 1104301197 BANHPDCVTNTDCN-CMPLNLGQSA-N 319.365 -0.242 30 20 DBED CNC(=O)CC(=O)NC[C@H]1CN(c2ccc(C#N)cn2)CCO1 1104308813 VNDCQGFGDPYEHY-LBPRGKRZSA-N 317.349 -0.589 30 20 DBED CNC(=O)C1(C(=O)N(C)[C@@H](C)CN=c2cc[nH]c(C#N)n2)CC1 1104610157 KFNLVZMNEWCVIC-JTQLQIEISA-N 316.365 -0.445 30 20 DBED N#Cc1nccnc1NC[C@H](O)CNC(=O)C[C@H]1CCOC1 1105760780 YMRFHOOFBLKLNT-GHMZBOCLSA-N 305.338 -0.336 30 20 DBED COc1ccnc(NC[C@@H](O)CNC(=O)c2ccc(C#N)[nH]2)n1 1105788168 GOZIYFQMGAOQPV-JTQLQIEISA-N 316.321 -0.112 30 20 DBED CNC(=O)CCCC(=O)NC[C@H](O)CNc1ccc(C#N)cn1 1105794638 IMLXFYDZFOVEEX-GFCCVEGCSA-N 319.365 -0.241 30 20 DBED CCn1nncc1C(=O)NC[C@H](O)CNc1ccc(C#N)nc1 1105822918 WOQMMUOADPQSQZ-GFCCVEGCSA-N 315.337 -0.233 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)c2cc[nH]n2)C[C@H]1C 1105845831 XXZOMGHRVJIOQI-VXGBXAGGSA-N 303.366 -0.543 30 20 DBED C[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1CNCCN1C(=O)CCC1=O 1105951296 AHZBDOOFLAZZLX-JHJVBQTASA-N 320.393 -0.021 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)[C@@H]2[C@H]3COC[C@H]32)cn1 1106062980 PIKVXZCESVUMEA-MQYQWHSLSA-N 302.334 -0.265 30 20 DBED C[C@@H]1CN(C(=O)CC[C@H]2NC(=O)NC2=O)C[C@H]1CNCC#N 1106962817 XBXARVBBFPVWCL-GMTAPVOTSA-N 307.354 -0.818 30 20 DBED C=CCNC[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)N2)C[C@H]1C 1106991870 TYMBMBREJARPLY-UTUOFQBUSA-N 301.412 -0.452 30 20 DBED N#Cc1cnc(NC/C=C\CNC(=O)[C@H]2CCCNC2=O)cn1 1107389557 NAFBGOQTYOWHDN-UDSFMNFJSA-N 314.349 -0.041 30 20 DBED CN(C)C(=O)CC(=O)NC/C=C\CN=c1cc[nH]cc1C#N 1107538246 SATKKYDJGBSOLJ-ARJAWSKDSA-N 301.350 -0.062 30 20 DBED C[C@H](C#N)C(=O)NC[C@@]1(C)CN(CC(=O)NC2CC2)CCO1 1107822013 ZMVNQKFEKOIMTG-ABAIWWIYSA-N 308.382 -0.368 30 20 DBED C[C@@H](CNc1cnc(C#N)cn1)NC(=O)[C@@H]1CN(C)CCO1 1108303070 JWLAFZCDWBDLOW-JQWIXIFHSA-N 304.354 -0.405 30 20 DBED C[C@@H](CNc1cncc(C#N)n1)NC(=O)[C@@H]1CN(C)CCO1 1108303453 SOSBENLBOCOQHJ-JQWIXIFHSA-N 304.354 -0.405 30 20 DBED C=CCN1CCO[C@](C)(CNC(=O)COCc2ncnn2C)C1 1108313849 HQTOLBQUHYHNNV-OAHLLOKOSA-N 323.397 -0.275 30 20 DBED CC(C)CO[C@H](C)C(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1 1108514952 IQLHFLPQCNINGB-OLZOCXBDSA-N 322.409 -0.028 30 20 DBED CCOCCCN1CC(N2C[C@H](NC(=O)[C@H](C)C#N)CC2=O)C1 1108528070 SJNZMSGGMSVUEY-CHWSQXEVSA-N 322.409 -0.026 30 20 DBED CNS(=O)(=O)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC#N 1109273555 JASHVYGQNOGXJQ-VWYCJHECSA-N 300.384 -0.829 30 20 DBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H]1C[C@H]1C(N)=O 1109721785 XWRDCLVIOXIGDC-BNDIWNMDSA-N 320.393 -0.869 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cn[nH]c1 1110312538 WGSQNHABKVLEOT-UPJWGTAASA-N 301.350 -0.506 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCOCCO 1110547229 FKCSYTNRVUHFTN-YJNKXOJESA-N 310.394 -0.245 30 20 DBED N#Cc1c[nH]ccc1=NCCN(CCO)C(=O)c1cnn[nH]1 1111585922 VVESTGFCRFUWRD-UHFFFAOYSA-N 301.310 -0.960 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H]2CCC[C@]2(NC(=O)C(N)=O)C1 1111856643 AHFVENJMPXLWRN-PGUXBMHVSA-N 308.382 -0.867 30 20 DBED CC(=O)NCC(=O)N[C@H]1CCCN(c2ccnc(C#N)n2)CC1 1111965341 XZWCZVJVQMZHPQ-LBPRGKRZSA-N 316.365 -0.041 30 20 DBED CNC(=O)CC(=O)N1C[C@@H](C)[C@@H](Nc2nccnc2C#N)C1 1112309393 ZALXTNPUCIWGBJ-KOLCDFICSA-N 302.338 -0.257 30 20 DBED C[C@@H](CNC(=O)[C@H]1CN(C)C(=O)N1)N(C)c1ccncc1C#N 1113801780 ADAGSBLTQSWKIN-CMPLNLGQSA-N 316.365 -0.082 30 20 DBED C[C@@H](CNC(=O)[C@]1(C)CCNC1=O)N(C)c1ccnc(C#N)n1 1113872231 KYIABGJWXAZABD-ZUZCIYMTSA-N 316.365 -0.185 30 20 DBED C#CCCN1C[C@H]2C(NC(=O)CCCn3c(O)nnc3O)[C@@H]2C1 1114494028 RIVHOKWZWHZCPI-GHMZBOCLSA-N 319.365 -0.461 30 20 DBED CNC(=O)CC(=O)NCCOCCN(C)c1ccc(C#N)nc1 1115195628 AZKKXCGGAGFPRW-UHFFFAOYSA-N 319.365 -0.342 30 20 DBED C[C@@H](CN(C)C(=O)Cn1cnnn1)Nc1ccc(C#N)cn1 1115605602 IBHTYHMGPSHKEI-JTQLQIEISA-N 300.326 -0.101 30 20 DBED Cc1cc(NC(=O)C(=O)N2C[C@@H](C)[C@@H](O)C2)n(CCC#N)n1 1116473898 SIHPBZPOFGBVPR-KOLCDFICSA-N 305.338 -0.117 30 20 DBED CCOC(=O)Cn1cnc(NC(=O)C(=O)N[C@@H](CC)CC#N)n1 1118105908 LXYZFUGWLXNYLG-VIFPVBQESA-N 322.325 -0.412 30 20 DBED Cc1cc(=N[C@H](CO)CNC(=O)C2=COCCO2)c(C#N)c[nH]1 1121011001 SFFLYEMZNICKEZ-LBPRGKRZSA-N 318.333 -0.539 30 20 DBED CN1CCOC[C@@H]1C(=O)NC[C@@H](CO)Nc1ccc(C#N)nc1 1121346071 JTVVMJIUGMYMIL-UONOGXRCSA-N 319.365 -0.827 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@H](CO)Nc1cnc(C#N)cn1 1121404220 DTGXZKLMPCVKNF-BXUZGUMPSA-N 305.338 -0.436 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@H](CO)Nc1cnc(C#N)cn1 1121404222 DTGXZKLMPCVKNF-FZMZJTMJSA-N 305.338 -0.436 30 20 DBED N#Cc1cccnc1N[C@@H](CO)CNC(=O)CCCC(N)=O 1121711547 NYIICIGWZFEAPI-LLVKDONJSA-N 305.338 -0.502 30 20 DBED C=CCO[C@H](C)C(=O)NC[C@H](CO)Nc1cc(C)nc(CO)n1 1121749840 TVPSYHIIZUIAEU-VXGBXAGGSA-N 324.381 -0.243 30 20 DBED CC(C)[C@@H](C(=O)NC[C@@H](CO)Nc1nccnc1C#N)N(C)C 1121840322 RMYCCRGVSNNHEY-AAEUAGOBSA-N 320.397 -0.177 30 20 DBED CN(C)[C@H](C(=O)NC[C@@H](CO)N=c1cc[nH]cc1C#N)C1CC1 1122154579 ZBACLCLSAFHJQA-ZFWWWQNUSA-N 317.393 -0.396 30 20 DBED COCC(C)(C)C(=O)NC[C@H](CO)Nc1cncc(C#N)n1 1122230024 NRFZCXQIBJYDJB-LLVKDONJSA-N 307.354 -0.090 30 20 DBED C#CCOCCC(=O)N(C)C[C@@H](O)CNc1nccnc1F 1124519216 JGLHZQONWBKJAJ-NSHDSACASA-N 310.329 -0.113 30 20 DBED CN(C[C@H](O)CN(C)c1ccc(C#N)nn1)C(=O)c1cnon1 1125140043 UARJXRCZZNSQQP-SNVBAGLBSA-N 317.309 -0.699 30 20 DBED C#CCO[C@H](C)C(=O)NCCNCc1noc(CCOC)n1 1127046069 LASVWQVNHLWPFQ-LLVKDONJSA-N 310.354 -0.497 30 20 DBED CN(CCOCCN=c1cc[nH]cc1C#N)C(=O)c1cnon1 1127352120 YBJMWALPAABUFU-UHFFFAOYSA-N 316.321 -0.041 30 20 DBED C=C(C)C[C@H](C)C(=O)N1C[C@H](n2ccnn2)[C@H](NCC(N)=O)C1 1129980447 LSWFQVGZAPAFPP-XQQFMLRXSA-N 320.397 -0.293 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1nc(OC)cc(OC)n1 1130283801 JJKXLBBXRWDXNZ-UHFFFAOYSA-N 323.353 -0.885 30 20 DBED C[C@@H]1CC[C@H](NC(=O)c2cc[nH]n2)CN1CC(=O)NCC#N 1131813509 OXIHPVAXXVAMRS-MNOVXSKESA-N 304.354 -0.368 30 20 DBED C#CCCN1C[C@@H](NC(=O)CN(C)S(C)(=O)=O)CC[C@H]1C 1132079314 WQHAOXCHPHIEFM-OLZOCXBDSA-N 315.439 -0.130 30 20 DBED COCC#CCNCCNC(=O)c1ccnc2c1ncn2C 1133688029 RSWXHWGJWWXLFC-UHFFFAOYSA-N 301.350 -0.063 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)c1cnn(C)c1C 1133708158 QNOPFXMQLREIIX-NWDGAFQWSA-N 319.409 -0.036 30 20 DBED C[C@H](C[C@@H](C)NC(=O)Cc1cc[nH]n1)NCC(=O)NCC#N 1133974551 NHNKTEYDZFXXDI-GHMZBOCLSA-N 306.370 -0.535 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)CCCCC(N)=O 1147150025 MVXROWKOFDJRIE-UHFFFAOYSA-N 324.425 -0.062 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@@](C)(NC(C)=O)C1CC1 1147458131 KLIUZPLJJGSVBE-BZNIZROVSA-N 324.425 -0.312 30 20 DBED CC(F)(F)C(=O)NC[C@H]1CN(CC(=O)NCC#N)CCCO1 1149047691 MYHWGLSTOBAQDT-JTQLQIEISA-N 318.324 -0.512 30 20 DBED CC[C@H](C)C(=O)NCC(=O)NC[C@@H]1CN(CC#N)CCCO1 1150732182 ZDPSPNYSWJGUBU-QWHCGFSZSA-N 310.398 -0.121 30 20 DBED C=CCOCC(=O)NCCCNC[C@H](O)COCCOC 1155711792 ACIFGAWIJBMOHI-ZDUSSCGKSA-N 304.387 -0.691 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)c1ccnc(O)c1 1156498363 LCWISSRHOWPOCN-NSHDSACASA-N 304.350 -0.365 30 20 DBED Cc1cc(C)n(CC(=O)NCCCNCC(=O)NCC#N)n1 1162129109 ANWXKPUTZOSDNT-UHFFFAOYSA-N 306.370 -0.764 30 20 DBED C#CCCNCCCNC(=O)Cn1nc2ccccn2c1=O 1163643184 CUXLABJQTAHEFT-UHFFFAOYSA-N 301.350 -0.385 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1 1167103430 SDMMVNFHKUVQHP-UONOGXRCSA-N 319.409 -0.078 30 20 DBED C=C(C)CNCC1(CCNC(=O)CN2C(=O)CNC2=O)CC1 1168023570 JUTRKAIOOVJHRB-UHFFFAOYSA-N 308.382 -0.010 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)CC(=O)NCC3CC3)C[C@@H]21 1177124342 JNARQBPQXZFYJK-GJZGRUSLSA-N 319.405 -0.162 30 20 DBED CC#CCN[C@H]1CCN(C(=O)CC[C@H]2NC(=O)NC2=O)[C@H]1C 1180083804 KVLZXEOXDVCYCH-SDDRHHMPSA-N 306.366 -0.423 30 20 DBED N#CCNC(=O)CN[C@@H]1CCN(C(=O)/C=C/c2ccc[nH]2)C1 1182179963 VQPSDBXGETUYOV-ITDFMYJTSA-N 301.350 -0.142 30 20 DBED Cc1nc(C(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)c(C)o1 1186536707 FLRJVNQVVNUIKA-LLVKDONJSA-N 305.338 -0.265 30 20 DBED CC(C)(C)C(=O)C(=O)N1CC[C@H]2CN(CC(=O)NCC#N)C[C@H]21 1187326104 JDHKKSCTUWWYSI-NWDGAFQWSA-N 320.393 -0.226 30 20 DBED C=CCOCCN1C[C@@H]2CCN(C(=O)[C@H]3COC(=O)N3)[C@@H]2C1 1187742800 FRVWASOPYBAKRL-YNEHKIRRSA-N 309.366 -0.170 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@H]1CCN(C(=O)c2cn(C)cn2)C1 1189650436 DAVDRSMTXQBFHU-STQMWFEESA-N 317.393 -0.296 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2cc(OC)no2)C1 1189736785 YUJZIJUIROLYJQ-LLVKDONJSA-N 320.349 -0.421 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(CCCC(C)C)C[C@H]1O 1192397033 UJKGGIGTXMFNFF-ZIAGYGMSSA-N 309.410 -0.277 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)[C@H](C2CC2)N(C)C)C1 1193781461 MJEJWHTZOBNOEE-KFWWJZLASA-N 309.410 -0.862 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCCN(C(=O)[C@H]2CCC(=O)N2)CC1 1195246342 VKTHLMYHDYRAFB-CHWSQXEVSA-N 322.409 -0.510 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CCN(C(=O)c2cc[nH]n2)CC1 1199406494 GPHWMZXNXWHVIW-LLVKDONJSA-N 303.366 -0.258 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCC(NCc2nnn(C)n2)CC1 1200325367 VFXYDKCQOGAPGX-CQSZACIVSA-N 308.386 -0.382 30 20 DBED C#CCNC[C@@H]1CN(C(=O)C(=O)Nc2cc(C)on2)CCCO1 1202069637 OAHWCDYWIZSSEA-GFCCVEGCSA-N 320.349 -0.238 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)C[C@H]2CC(=O)NC2=O)CCCO1 1202249484 BBYNVWZEPQFUBV-CHWSQXEVSA-N 321.377 -0.730 30 20 DBED C#CCCNC1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)CC1 1203323317 FPYJCTDCIHLLEY-UHFFFAOYSA-N 314.349 -0.365 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(C[C@H]2CCOC2)C[C@H]1C 1206893045 VEDAOTCCWIKRDL-MGPQQGTHSA-N 307.394 -0.401 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCCN(C(=O)c2cncnc2)C1 1207875873 ZFKIRHKRJBLAQG-JSGCOSHPSA-N 315.377 -0.191 30 20 DBED CNC(=O)NC(=O)[C@@H](C)N[C@H]1CCCN(C(=O)C#CC2CC2)C1 1208009298 WTMWRZUPXNDRRP-YPMHNXCESA-N 320.393 -0.176 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(C/C=C\Cl)C[C@H]1OC 1212152731 ZIHIXCXWAVJOAD-XLMCQVRKSA-N 313.785 -0.306 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CCN(C)C2=O)C[C@H]1C 1215365674 NWLNMRFODMDZIQ-FRRDWIJNSA-N 322.409 -0.797 30 20 DBED C#CCCN[C@@H]1CN(C(=O)Cn2nc(C)n(C)c2=O)C[C@H]1C 1216630847 QYTASVQPDYBPPZ-DGCLKSJQSA-N 305.382 -0.650 30 20 DBED C#CCO[C@H](C)C(=O)N1CCO[C@@H]2CN(CCOCC)C[C@@H]21 1217874986 CLEQNQBNLIZKGO-QLFBSQMISA-N 310.394 -0.027 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)CC(F)(F)F)C1 1219306348 PDRHBKPVWMGLMT-AEJSXWLSSA-N 321.299 -0.762 30 20 DBED C[C@H](O)CCCN1C[C@H](O)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 1219476229 TWJOLSVNANZMEP-GDLCADMTSA-N 306.366 -0.178 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2coc(CC)n2)C1 1219494727 ZGSGTKSSCXCICR-PWSUYJOCSA-N 322.365 -0.686 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(Cc2ncnn2CCF)C[C@@H]1O 1219532204 OFROVMWDGOCUSN-OLZOCXBDSA-N 323.372 -0.288 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(Cc2cc(C)n(C)n2)C[C@@H]1O 1219536108 KPDSRFSWLPHEDK-YCPHGPKFSA-N 322.409 -0.283 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)COCc2ccnn2C)C1 1219864227 KUZNFVSPZDUHTQ-KGLIPLIRSA-N 308.382 -0.326 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(CCn2cncn2)C[C@@H]1O 1221140952 GULGINUCVANBCQ-OLZOCXBDSA-N 309.370 -0.968 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2nnc(CC)o2)C[C@@H]1O 1221143704 NXGVJYMRAHENPN-TUAOUCFPSA-N 324.381 -0.116 30 20 DBED C=CCOCC(=O)N1C[C@H]2CCN([C@H]3CCN(C)C3=O)C[C@H]21 1221443146 OLFKEGUKQNVRIE-HZSPNIEDSA-N 307.394 -0.048 30 20 DBED CC(C)OCC(=O)N1CC[C@H]2CCN(CC(=O)NCC#N)[C@H]2C1 1222363111 YIXHZATVDNEEMV-KGLIPLIRSA-N 322.409 -0.026 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)[C@H]2CO[C@@H](C)C2)CC1 1223654319 LIWARMNFGFPNNI-DZGCQCFKSA-N 321.421 -0.011 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)c2[nH]cnc2C)CC1 1225693827 AWEWMGDAEPFIDF-UHFFFAOYSA-N 317.393 -0.091 30 20 DBED N#CCN1CCC(NC(=O)CNC(=O)c2ccncc2)CC1 1227480454 HZPSHXCVVYSTBS-UHFFFAOYSA-N 301.350 -0.084 30 20 DBED C=CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)c1ccc(O)nn1 1230699412 YGNHQFCAMOLDKG-LLVKDONJSA-N 319.365 -0.369 30 20 DBED COc1cc(C#N)ccc1NC(=O)C(=O)NCC1(CO)COC1 1254961979 CELGMCXGCXFCFN-UHFFFAOYSA-N 319.317 -0.370 30 20 DBED N#CCCCCNC(=O)C(=O)NC[C@@H]1CCCCS1(=O)=O 1258149396 LWMAMKSVTYVENB-NSHDSACASA-N 315.395 -0.120 30 20 DBED C=CCN(C(=O)C(=O)N[C@H]1CCCN(C)C1=O)[C@@H](C)COC 1332480740 JCRLHGJSTKZFNP-RYUDHWBXSA-N 311.382 -0.227 30 20 DBED C=CCn1c(-c2nc[nH]n2)nnc1N1CCN(C(C)=O)CC1 1340451624 ZITQQFGPABSOQU-UHFFFAOYSA-N 302.342 -0.082 30 20 DBED C#Cc1cncc(C(=O)NCC2(O)CCS(=O)(=O)CC2)c1 1345505443 JQNGGNUGQLRSTF-UHFFFAOYSA-N 308.359 -0.268 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CC[C@H](C2CC2)C1 1347198819 DOXDWMSJWSRLAW-LBPRGKRZSA-N 314.407 -0.038 30 20 DBED C[C@@H](O)C[C@@H]1CCCN1C(=O)CCn1cc(C#N)c(O)nc1=O 1362341811 XGDHOLBOIKINNI-PWSUYJOCSA-N 320.349 -0.027 30 20 DBED C[C@H]1CN(C(=O)Cn2cc(C#N)c(O)nc2=O)C[C@]1(C)CO 1362680331 CFFUUJQBRGLDHO-LKFCYVNXSA-N 306.322 -0.703 30 20 DBED C[C@@H]1C[C@H](NC(=O)CCn2cc(C#N)c(O)nc2=O)C(=O)O1 1363374532 RCVMBMSKTRNXFF-APPZFPTMSA-N 306.278 -0.969 30 20 DBED Cc1nnn(NC(=O)CCn2cc(C#N)c(O)nc2=O)c1C 1363794564 OIQPPSOUJQGFFC-UHFFFAOYSA-N 303.282 -0.811 30 20 DBED C[C@@H](C#N)C(=O)N(CCNC(=O)CN1CCOCC1=O)C1CC1 1374253333 DEKAIJXKQBHLSQ-NSHDSACASA-N 322.365 -0.888 30 20 DBED N#Cc1ccc(CNC[C@H](O)CNC(=O)[C@@H]2COCCO2)cc1 1374585912 KWXRRVAOLKMBRW-GJZGRUSLSA-N 319.361 -0.460 30 20 DBED CC[C@H](CNC(=O)c1ncn(C)n1)NC(=O)c1cc(C#N)c[nH]1 1390438887 HIWIPTLKTZQYCL-SNVBAGLBSA-N 315.337 -0.047 30 20 DBED CC(=O)NCC(=O)N1C[C@H](NC(=O)c2cc(C#N)c[nH]2)C[C@H]1C 1395874715 XPEGBECMCOFOSW-BXKDBHETSA-N 317.349 -0.258 30 20 DBED CCN(CCC#N)C(=O)CN(C)CCNC(=O)c1cn(C)nn1 1403550223 RXBYBZINIDCFIL-UHFFFAOYSA-N 321.385 -0.761 30 20 DBED C=C(Br)CNC(=O)C1=NN(CCO)C(=O)CC1 1411705221 ITAPCGHMQIUCBM-UHFFFAOYSA-N 304.144 -0.018 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CN(C)C(=O)CC1CCN(C)CC1 1413253861 GPHRKGMMPZHVRS-JSGCOSHPSA-N 324.425 -0.187 30 20 DBED N#Cc1ccsc1NC(=O)CN1CCN(CC(N)=O)C(=O)C1 1414000612 LPSNYKNOKREDAW-UHFFFAOYSA-N 321.362 -0.812 30 20 DBED CCN(CCNC(=O)c1ccc(C(N)=O)nc1)C(=O)[C@@H](C)C#N 1415689890 PYWYEQKKOSBQGK-JTQLQIEISA-N 317.349 -0.082 30 20 DBED N#Cc1cn(CCNS(=O)(=O)c2cccnc2)c(=O)nc1O 1424410492 OYCFQOSWWGIBEX-UHFFFAOYSA-N 321.318 -0.806 30 20 DBED C[C@@H](C#N)C(=O)NCC1CN(C(=O)c2ccc3nn[nH]c3n2)C1 1432477866 XXXSQIBQPABMQV-QMMMGPOBSA-N 313.321 -0.299 30 20 DBED N#C[C@H]1CC[C@@H](NC(=O)N2CC[C@H](CS(N)(=O)=O)C2)C1 1470594532 USRURUQEPYMEDE-GARJFASQSA-N 300.384 -0.001 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)CCN2CCCCC2)C1 1489359878 RBRFMFLUFBXWHV-BFHYXJOUSA-N 322.409 -0.290 30 20 DBED N#CC1(C(=O)O)CCN(C(=O)c2cnn(C[C@H](O)CO)c2)CC1 1571152464 BWDHUDBFJAIPDS-NSHDSACASA-N 322.321 -0.933 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)NCc1cc(C(=O)O)no1 1573399688 PHQAGCIRBWFYOR-SSDOTTSWSA-N 302.312 -0.201 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1[C@@H]2CN(c3ccc(-c4nn[nH]n4)nc3)C[C@@H]21 1573585080 CFOSEBCUROAQND-MVVXRAEJSA-N 324.348 -0.028 30 20 DBED C=CCOC[C@@H](NC(=O)CO[C@H]1CCCNC1)C(=O)OC 1574944174 ZEOASHYHRLGMBG-NWDGAFQWSA-N 300.355 -0.385 30 20 DBED Cc1nc(C#N)c(N2CCC(C(=O)N[C@@H]3CNC[C@@H]3O)CC2)o1 1579845416 QBJOEVGXJYSXJR-OLZOCXBDSA-N 319.365 -0.480 30 20 DBED C#CCN(CC(=O)O)C(=O)C(=O)Nc1ccn(CC(F)F)n1 1588397498 KBGFFXMJLFYFEV-UHFFFAOYSA-N 314.248 -0.367 30 20 DBED C#CCN(CC(=O)O)c1nnc([C@@H]2CCC(=O)NC2)n1CC=C 1588426736 ANHJPOPARKYZEA-LLVKDONJSA-N 317.349 -0.018 30 20 DBED C=CCn1cc(C(=O)NCCNc2ncc(C(=O)O)cn2)nn1 1588910323 QRFNTADVABBSHE-UHFFFAOYSA-N 317.309 -0.206 30 20 DBED N#C[C@H]1COCCN1S(=O)(=O)c1cccnc1-c1nn[nH]n1 1592671957 UHJZUPOLQZDRCL-QMMMGPOBSA-N 321.322 -0.825 30 20 DBED N#CCN1C[C@@H]2CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)[C@@H]2C1 1592678510 ZKMSFWJLLKKJJS-JOYOIKCWSA-N 312.337 -0.135 30 20 DBED COC(=O)[C@H](CC(=O)O)NS(=O)(=O)c1cccnc1C#N 1598693239 CZMFZJKLAFEKDO-ZETCQYMHSA-N 313.291 -0.752 30 20 DBED N#CCN1CC(OC2CCN(C(=O)[C@@H]3C[C@@H]3C(=O)O)CC2)C1 1608188644 ZOJTYGYUDHGIRT-OLZOCXBDSA-N 307.350 -0.078 30 20 DBED C#CC[C@@H](NS(=O)(=O)c1cc(C(=O)O)co1)C(=O)OC 1609089422 LUFCSBVBSCFWGX-MRVPVSSYSA-N 301.276 -0.179 30 20 DBED N#Cc1nc(NC(=O)[C@@H]2CC23CCNCC3)[nH]c1-c1nn[nH]n1 1609496568 UXGUFGGBMDSFTL-ZETCQYMHSA-N 313.325 -0.210 30 20 DBED Cn1c(-c2ccnc(C#N)c2)nnc1N1CCO[C@@H](C(N)=O)C1 1649245445 MYJUOLYYTJQVDM-LLVKDONJSA-N 313.321 -0.561 30 20 DBED C=CCN1CC[C@@H](N(C)CCCNC(=O)C2(C(N)=O)CC2)C1=O 1752054761 SQEWWDPXVPQQJY-GFCCVEGCSA-N 322.409 -0.523 30 20 DBED C=CCNC(=O)[C@@H](C)N(C)CCCNC(=O)[C@]1(C)CCNC1=O 1752060256 OGOKFSQEJMXAQT-WBMJQRKESA-N 324.425 -0.359 30 20 DBED CN1C(=O)CC[C@@H]1C(=O)NCCCN1CCN(CC#N)CC1 1752351960 GEZYQVGCYIUXMK-CYBMUJFWSA-N 307.398 -0.745 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCC[C@@H]1CNC(=O)c1[nH]nnc1C 1753109008 QUCYWWZAVSTMEI-VXGBXAGGSA-N 320.397 -0.002 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC(NC(=O)CC[C@@H]2CCOC2)C1 1753374795 PUHDQIHSCVNFDT-CHWSQXEVSA-N 307.394 -0.259 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H](CC)CNC(=O)c1cc(OC)no1 1753474096 YHZKRRNDWVMFGG-GHMZBOCLSA-N 322.365 -0.081 30 20 DBED C=C(Br)CNC/C=C/CNC(=O)c1nnn(C)n1 1754158975 KKBDTGSNNBWYRH-ONEGZZNKSA-N 315.175 -0.006 30 20 DBED C#CCN1CC(O)(CNC(=O)Cn2nc(C)cc2C(F)F)C1 1754768418 MFGIHRGIRZAZFA-UHFFFAOYSA-N 312.320 -0.075 30 20 DBED CC#CCN[C@@H](C)[C@H]1CCN(C(=O)c2nnc(O)nc2O)C1 1754801451 PQFLQDFNLDZFPA-UWVGGRQHSA-N 305.338 -0.254 30 20 DBED COCC#CCN[C@@H](C)[C@@H]1CCN(C(=O)C(=O)NCC2CC2)C1 1754802798 GZUUUHOHIVCQRM-DZGCQCFKSA-N 321.421 -0.011 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC[C@H]2CN(CCOCCO)C[C@H]21 1754872775 KFWBXTKWEDRUTH-OWCLPIDISA-N 324.421 -0.044 30 20 DBED COCC#CCN1CCOC[C@H]1CNC(=O)c1cc(OC)no1 1754965171 JIPUSIRDXLGHRO-GFCCVEGCSA-N 323.349 -0.236 30 20 DBED C=C(C)CNC[C@H]1CN(C(=O)CN2CCOCC2=O)CCO1 1755003267 JMDMIRLDSKJQPV-ZDUSSCGKSA-N 311.382 -0.762 30 20 DBED C=CCNC(=O)NC(=O)CN[C@H]1CN(C(=O)C2CC2)C[C@@H]1C 1755106431 ULCWQMSKJXCIIM-JQWIXIFHSA-N 308.382 -0.155 30 20 DBED Cc1cc(COCC(=O)NC2(CCO)CN(CC#N)C2)no1 1755332482 BAQHQWHCVVNYLT-UHFFFAOYSA-N 308.338 -0.424 30 20 DBED C=CCNC(=O)CN1CC(CCO)(NC(=O)c2oncc2C)C1 1755337404 FHUKZYUIBIROOR-UHFFFAOYSA-N 322.365 -0.548 30 20 DBED C=CCCN1C[C@H]2[C@H](CNC(=O)CNS(=O)(=O)CC)[C@H]2C1 1755426672 YSTXMJVNIFQDAJ-XYYAHUGASA-N 315.439 -0.204 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@H](C)N(C(=O)c2coc(OC)n2)C1 1755682918 ANZHDWBFDFHZOJ-QWRGUYRKSA-N 320.349 -0.375 30 20 DBED CCO[C@H](C)C(=O)N(C)C[C@@H](O)CN(C)CC#CCOC 1755797390 AYPVOGIONQZXSS-KGLIPLIRSA-N 300.399 -0.188 30 20 DBED CC(C)C#CC(=O)N[C@H](C)[C@@H](C)NC(=O)CN1C(=O)CNC1=O 1755967417 QLKAQGCCSQQDNJ-GHMZBOCLSA-N 322.365 -0.793 30 20 DBED CC(C)C#CC(=O)NC1(CCO)CN(C(=O)CN2CCCC2)C1 1756082290 WYTJPXMWEDARPN-UHFFFAOYSA-N 321.421 -0.179 30 20 DBED C[C@@H](C#N)C(=O)N1CC(CCO)(NC(=O)CCCCC(N)=O)C1 1756089323 QGVRYMCRMPAUCZ-NSHDSACASA-N 324.381 -0.729 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)CCC(F)F)C[C@@H]1O 1757161444 CCSZHBPGCBNTPO-ZJUUUORDSA-N 306.309 -0.078 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@@H]1O 1757171567 XDURKMFDHGTSPF-RDBSUJKOSA-N 307.394 -0.572 30 20 DBED C#CCNC(=O)CNS(=O)(=O)c1ccc(C(=O)O)s1 1776135038 MBEAQLUVLBFRPC-UHFFFAOYSA-N 302.333 -0.526 30 20 DBED COC(=O)c1cc(S(=O)(=O)N[C@@H](CCC#N)C(=O)O)c[nH]1 1777120381 JPYLPOZWWOYJTI-QMMMGPOBSA-N 315.307 -0.163 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)[C@@H](C)CC 1793400276 VHNKYKMYZVMQQH-ZZVJUGKHSA-N 308.378 -0.384 30 20 DBED N#CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCCO1)C2 1795083850 YAELBFOUDHPUIF-GFQSEFKGSA-N 307.350 -0.331 30 20 DBED N#CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](N)CN)[nH]n1 1816743617 GFNXORNLGOFWCE-GXSJLCMTSA-N 319.369 -0.399 30 20 DBED C=C(C)CN(CC)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O 30494513 GOAGLGGWOUVHOH-UHFFFAOYSA-N 301.368 -0.329 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)c2cc(C)on2)CC1 139155796 KYRRBLSQKBNVJD-UHFFFAOYSA-N 304.350 -0.073 30 20 DBED N#Cc1ccc(S(=O)(=O)NC[C@H]2CCCS2(=O)=O)cn1 222196174 RDDNGKYOJRBZJH-SNVBAGLBSA-N 315.376 -0.191 30 20 DBED CC/N=C(/NCCOC)N1CCN(c2cnn(C)c2)C(=O)C1 261660085 FWBVHRCUPSPQBN-UHFFFAOYSA-N 308.386 -0.319 30 20 DBED CN(CC(N)=O)C[C@H]1CN(Cc2cc(C#N)n(C)c2)CCO1 276778376 PZULGYKUVJEXTJ-AWEZNQCLSA-N 305.382 -0.485 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCCC2(O)CCC2)C1=O 284763120 SFORURAIJVJJCD-UHFFFAOYSA-N 309.322 -0.616 30 20 DBED C[C@]12CCC(=O)N1[C@H](C(=O)NCCn1cnc(C#N)n1)CS2 286966509 SFQHACRYYLEZHA-ZANVPECISA-N 320.378 -0.280 30 20 DBED C[C@H](O)CN1CCN(C(=O)NCCn2cnc(C#N)n2)[C@@H](C)C1 287821025 JZZVZAJUJHRGSF-RYUDHWBXSA-N 321.385 -0.754 30 20 DBED CO[C@H]1COC[C@@H]1NC(=O)CNC(=O)c1ccc(C#N)cc1 290305358 CKQSZWJXMXURKC-STQMWFEESA-N 303.318 -0.182 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H](COC)NC(=O)[C@@H](C)OCC#C 295311132 NEZOKFOBEXXGOW-MCIONIFRSA-N 324.377 -0.690 30 20 DBED N#Cc1ccc(S(=O)(=O)N[C@@H](Cc2c[nH]cn2)C(=O)O)cn1 318468864 PCTKWXZLNPLCMN-NSHDSACASA-N 321.318 -0.349 30 20 DBED Cn1c(=O)ccn(C/C(O)=N/C[C@H]2CCN(C3CC3)C2)c1=O 328932646 BPEOJFRXZZAFFX-LLVKDONJSA-N 306.366 -0.012 30 20 DBED CC(C)N1CCN(/C(O)=N/CC(=O)N2CCOCC2)CC1=O 329503924 LAHQBSCWNIMDOF-UHFFFAOYSA-N 312.370 -0.688 30 20 DBED Cc1cc(N2CC[C@@H](/N=C(/O)N3CC(CO)C3)C2=O)n(C)n1 330077752 FIRWZRUJXKZVKA-LLVKDONJSA-N 307.354 -0.328 30 20 DBED C[C@H](/C(O)=N/C[C@@H]1CCCO1)N1CCN2C(=O)C(=O)NC[C@H]2C1 330119548 IHRYHDJSIVBJQZ-WOPDTQHZSA-N 324.381 -0.847 30 20 DBED CC1(C)[C@@H](N/C(O)=N/C[C@H]2CCN(S(C)(=O)=O)C2)C[C@H]1O 330311428 VSHDFJVHJWDKNG-OUAUKWLOSA-N 319.427 -0.069 30 20 DBED C[C@H](C/N=C(/O)c1coc(S(N)(=O)=O)c1)N1CCOCC1 330479308 LWZAKLDAAZBRTI-SECBINFHSA-N 317.367 -0.048 30 20 DBED CCn1cc(C#N)c(=O)n(CC(=O)NC2CCOCC2)c1=O 330553285 YDSCSRBBJGPORT-UHFFFAOYSA-N 306.322 -0.803 30 20 DBED CCS(=O)(=O)C1CN(S(=O)(=O)N(C)C[C@@H](C)C#N)C1 332034530 KJFOYJWHTLWGQY-VIFPVBQESA-N 309.413 -0.558 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N1CCS(=O)(=O)C[C@H](C)C1 332064884 ZZFIBMOTUQEVAW-MNOVXSKESA-N 323.440 -0.168 30 20 DBED CCN(CCC#N)S(=O)(=O)N1C[C@H](C)O[C@H](C(N)=O)C1 336944030 MAKXDWGECBTUAC-UWVGGRQHSA-N 304.372 -0.959 30 20 DBED CCN(CCC#N)S(=O)(=O)N[C@H]1CC(=O)N(C(C)C)C1=O 337055289 BNHDXMKGRPEZIY-JTQLQIEISA-N 316.383 -0.408 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)NC[C@@H](CO)[C@@H]1CCOC1 337164652 YAQUDIXVRGJADS-UTUOFQBUSA-N 305.400 -0.443 30 20 DBED N#Cc1ccc(NCC(=O)NCCCN2C(=O)CCC2=O)nc1 345442587 ABUXKUTUBRMMIP-UHFFFAOYSA-N 315.333 0.020 30 20 DBED C[C@@H](C#N)C(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 347110271 QVKVBIXLSKMLMZ-WDEREUQCSA-N 303.384 -0.249 30 20 DBED C=C[C@@H](CO)NS(=O)(=O)c1cnc2nc(O)nc(O)c2c1 349774357 HTZXGJFWJFMNEB-LURJTMIESA-N 312.307 -0.739 30 20 DBED N#Cc1ccc(NC(=O)C(=O)N2CCS(=O)(=O)CC2)cc1 353236327 CPVRWEPEBHEPDF-UHFFFAOYSA-N 307.331 -0.246 30 20 DBED CNC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(C#N)s2)CCO1 367098444 GOHFLNGYSBZBRS-VIFPVBQESA-N 315.376 -0.245 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCN2C(=O)NC[C@@H]2C1 370298136 NUUFPJQZKYYWNH-VHSXEESVSA-N 301.372 -0.968 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CC[C@H](C)[C@H](CN)C2)nn1 424548944 QOPDSBLKVFIXKH-NWDGAFQWSA-N 320.397 -0.476 30 20 DBED C=C(C)CN(CC)C(=O)C(=O)Nc1cc(C)n(CC(=O)NC)n1 445932260 KLQRJNLAWSGLBY-UHFFFAOYSA-N 321.381 0.301 30 20 DBED C=CCCCS(=O)(=O)NC[C@@](C)(O)CN1CCOCC1 489602201 IAAAIDWEUPCJIE-CYBMUJFWSA-N 306.428 -0.045 30 20 DBED C#CCN1CCC(C(=O)NC[C@@H](O)COCCOCC)CC1 491523188 BZAHLRMSVUSZLN-OAHLLOKOSA-N 312.410 -0.138 30 20 DBED C#C[C@H](CC)NC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 491537318 PNPMCFSWMRGLLV-SNVBAGLBSA-N 317.349 -0.648 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N(CCO)[C@H](C)CC(=O)O 515487528 JUJSPPWFOQXNQP-NXEZZACHSA-N 307.372 -0.520 30 20 DBED C[C@H](CC(=O)O)N(CCO)S(=O)(=O)c1ccc(C#N)nc1 548233257 FNOLZLCVBMNGNT-SECBINFHSA-N 313.335 -0.201 30 20 DBED CN(CCC#N)S(=O)(=O)N1C[C@@H](C(=O)O)[C@]2(CCOC2)C1 578110613 WKXIXSSMBBLNHR-CMPLNLGQSA-N 317.367 -0.500 30 20 DBED CC(C)[C@@H]1CN(S(=O)(=O)N2CCO[C@H](C#N)C2)CCN1 595411941 JLUCWBPNJVOVSL-NEPJUHHUSA-N 302.400 -0.615 30 20 DBED CC(=O)N1CCc2cc(S(=O)(=O)NCC#CCO)ccc21 632516870 UITIBEPLMWWWGN-UHFFFAOYSA-N 308.359 -0.130 30 20 DBED CC#CC[C@@H](CO)NC(=O)C(=O)Nc1cc(C(N)=O)ccc1C 646954174 UJJFEEBZISSSPW-LBPRGKRZSA-N 317.345 -0.077 30 20 DBED CNC(=O)CON=C(N)c1ccc(CN2CCOCC2)cc1 725793051 UKMGKVWQQVKFIL-UHFFFAOYSA-N 306.366 -0.098 30 20 DBED C#CCOCCC(=O)Nc1nnc(NS(C)(=O)=O)s1 755619526 NJCIOSSULBSEGH-UHFFFAOYSA-N 304.353 -0.112 30 20 DBED N#CCOc1cc(F)ccc1NC(=O)NCC(=O)NCCO 759969310 GLMUQRKJLCBZOL-UHFFFAOYSA-N 310.285 -0.042 30 20 DBED C#C[C@@H](NC(=O)C(=O)NCCCN1CCOCC1)[C@H]1CCCO1 774471958 RVZHJKRJNGAJMO-ZIAGYGMSSA-N 323.393 -0.878 30 20 DBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCCCCO 787606058 DGDXFAQUSVZEOX-UHFFFAOYSA-N 311.363 -0.386 30 20 DBED C[C@@H](NC(=O)COC(=O)c1cnccc1C#N)C(=O)N(C)C 805719055 OEDFMYJJZNXFQS-SECBINFHSA-N 304.306 -0.297 30 20 DBED C#CCCS(=O)(=O)N1CCN(CCC(=O)OC)C[C@H]1C 808305173 JEPIQBOZAGUBTL-GFCCVEGCSA-N 302.396 -0.091 30 20 DBED C=C[C@H](O)C(=O)O[C@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 814545421 OAVSUTOIEWWXIP-UTLUCORTSA-N 305.352 -0.890 30 20 DBED CNS(=O)(=O)c1ccc(C)c(C(=O)N[C@H]2CNC[C@@H]2C#N)c1 834516720 LFZCAMWMIKXKBB-GWCFXTLKSA-N 322.390 -0.256 30 20 DBED O=C(C#CC1CC1)N1CCN(C(=O)CN2CCOCC2)CC1 837322205 JNCGJRUIXXQHBE-UHFFFAOYSA-N 305.378 -0.597 30 20 DBED C=CCS(=O)(=O)NC(=O)Cn1nc2n(c1=O)CCCC2 845498529 GWLZVZZNLUAJNP-UHFFFAOYSA-N 300.340 -0.987 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N1CCn2cnnc2C1 875600448 YXQLYKYRNRCBDG-NSHDSACASA-N 305.338 -0.835 30 20 DBED C#CCN1CCC[C@@H](NC(=O)c2cnn(C)c2-n2cnnc2)C1 923563583 HIKIYLNBJNXKKN-GFCCVEGCSA-N 313.365 -0.172 30 20 DBED C#CCN1CCC[C@@H](NC(=O)[C@H]2CCCN2S(C)(=O)=O)C1 923590485 YFCRUTSEOFYMTP-CHWSQXEVSA-N 313.423 -0.376 30 20 DBED CC1(C)CNC(=O)[C@@H]1NCC#CCN[C@H]1C(=O)NCC1(C)C 931657632 VPVHTRZIXINGRC-RYUDHWBXSA-N 306.410 -0.782 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](N(C)C(=O)c2cnc(O)n2C)C1 939409237 FAEBRLUFDRMGJF-UWVGGRQHSA-N 305.338 -0.042 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC2(CCN([C@H]3CCNC3=O)CC2)C1 949054350 YKUUGOWCOCSRIK-STQMWFEESA-N 320.393 -0.272 30 20 DBED CCN(C(=O)c1coc(S(N)(=O)=O)c1)C1CN(CC#N)C1 950648931 AAVGEGVWTLTKCD-UHFFFAOYSA-N 312.351 -0.403 30 20 DBED C[C@@H](C#N)C(=O)N1CC(N(C)C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 955345571 XRCBYKPSYSAQOE-WCQGTBRESA-N 306.366 -0.460 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H]1CNC(=O)c1ccc(C(N)=O)[nH]1 956190200 KLKQABYZUBROBU-ZJUUUORDSA-N 317.349 -0.006 30 20 DBED CN1CCOC[C@H]1C(=O)N[C@@]1(C)CCN(C(=O)C#CC2CC2)C1 956838467 FFJYFAXYOURWPV-YOEHRIQHSA-N 319.405 -0.162 30 20 DBED C#CCCN1C[C@@H](O)[C@H](CNC(=O)c2cnc(C)nc2OC)C1 958121668 JMNNDXUDGRNGLQ-TZMCWYRMSA-N 318.377 -0.161 30 20 DBED C=CCCn1cc(C(=O)NC[C@H]2CN(CCF)C[C@H]2O)nn1 958468251 UUCPEIOXLSXVNM-WCQYABFASA-N 311.361 -0.154 30 20 DBED C=CCN1C[C@H](CNC(=O)c2cccc(C(=O)NC)n2)[C@@H](O)C1 958629805 DIQHZDMQAWZYTP-FZMZJTMJSA-N 318.377 -0.350 30 20 DBED Cc1cnoc1C(=O)N(C)[C@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1O 958947320 HCVSIOFMXZKDFB-MIMYLULJSA-N 306.322 -0.214 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H]2CN(C(=O)C3=COCCO3)C[C@@H]21 960883465 OORQHPOKRLIURC-GRYCIOLGSA-N 321.333 -0.528 30 20 DBED CC1(C(=O)N2C[C@H](O)[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)CC1 962160098 HPBRCILJYJDSIH-NEPJUHHUSA-N 302.334 -0.012 30 20 DBED C#CCNC1CC2(C1)CC(NC(=O)CN1C(=O)CN(C)C1=O)C2 965907935 WHNXZAHBUJFVHC-UHFFFAOYSA-N 318.377 -0.469 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2CN(C(=O)CC(N)=O)C[C@H]2C)nc1 966279935 REDANDWGTYWFSL-MFKMUULPSA-N 314.345 -0.485 30 20 DBED N#Cc1cc(C(=O)N2CC[C@@H](NCCN3CCNC3=O)C2)c[nH]1 968467013 PDJOLHLBPDVUBY-GFCCVEGCSA-N 316.365 -0.284 30 20 DBED C[C@@H]1CCN(CC#N)C[C@H]1NC(=O)CN1C(=O)NC(=O)C1(C)C 968508523 APKJABFDUSKNHH-GHMZBOCLSA-N 321.381 -0.333 30 20 DBED C=C(C)CN[C@@H]1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)C1 968851216 OXOHIEZBDILBSV-GFCCVEGCSA-N 306.366 -0.686 30 20 DBED CN1C(=O)CN(CC(=O)N2C[C@H]3CC[C@H]2CN3CC#N)C1=O 972009922 HZZZCSWDVAKXGJ-MNOVXSKESA-N 305.338 -0.921 30 20 DBED C[C@@H](C(=O)N1CC[C@]2(CN(CC#N)CCO2)C1)n1cncn1 972349625 ZYZWKRLNKVSRQD-JSGCOSHPSA-N 304.354 -0.334 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)c3cnn(C)c3N)[C@H]2C1 976387391 IAKBBJZWBNIKAQ-SNXWAXQRSA-N 302.338 -0.651 30 20 DBED CC(=O)N1CC[C@@H](C(=O)N[C@H]2[C@@H]3CN(C(=O)[C@@H](C)C#N)C[C@@H]32)C1 976975414 INSFWAMBEAFTKD-JWZAGAIZSA-N 318.377 -0.413 30 20 DBED C#CCCN1C[C@H]2C(CNC(=O)c3cc(=O)n(C)cn3)[C@@H]2C1 978315397 ZVCOZJSGRCNMGL-STQMWFEESA-N 300.362 -0.289 30 20 DBED C#CCN1C[C@@H]2C(CNC(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)[C@H]2C1 978708290 SVSWWQLFMRQXGH-TUVASFSCSA-N 319.405 -0.451 30 20 DBED C#CCN1C[C@H]2C(CNC(=O)c3cn(C)c(=O)nc3O)[C@@H]2C1 979066858 FQSZRQINTWSMKA-QWRGUYRKSA-N 302.334 -0.973 30 20 DBED CC#CCN1C[C@@H]2C(CNC(=O)[C@@H]3COCCN3C(C)=O)[C@H]2C1 979086482 FHJBXWIDDWJJFG-OAGGEKHMSA-N 319.405 -0.449 30 20 DBED C=C1CC(C)(C(=O)N2CC[C@@H](CNC(=O)[C@H]3CNC(=O)N3)C2)C1 983260192 IUWGFNRXYDLOMG-NWDGAFQWSA-N 320.393 -0.011 30 20 DBED C[C@@H]1[C@H](NCC#N)CCN1C(=O)CN1CCCCS1(=O)=O 986569912 CLAPGKOWHQVEGN-VXGBXAGGSA-N 314.411 -0.485 30 20 DBED C=C(C)CN[C@@H]1C[C@H](C)N(C(=O)Cn2ccc(=O)n(C)c2=O)C1 988927071 JUEGDHLNJFOUME-QWHCGFSZSA-N 320.393 -0.298 30 20 DBED C#CCN[C@H]1C[C@H](C)N(C(=O)CCc2nnc(O)nc2O)C1 989088647 QYUJZGXXNNPVMT-UWVGGRQHSA-N 305.338 -0.572 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](NC(=O)C(N)=O)[C@H]1C 989596565 HCGWPSJNWWVUBU-WYUUTHIRSA-N 309.366 -0.442 30 20 DBED CN1C(=O)CC[C@@H]1C(=O)N1CC(NC(=O)c2ccc(C#N)[nH]2)C1 990868375 LWQBSPPXEHBHOF-GFCCVEGCSA-N 315.333 -0.552 30 20 DBED C=CCN1CC[C@@H](NC2CC(N(C)C(=O)c3cnn[nH]3)C2)C1=O 999041836 JNBWGEFDYXCGDO-HTAVTVPLSA-N 318.381 -0.216 30 20 DBED COc1coc(C(=O)NCC2CN(C(=O)[C@@H](C)C#N)C2)cc1=O 1003221413 CTSXGPXQMRHZJB-VIFPVBQESA-N 319.317 -0.004 30 20 DBED CN(C(=O)CN1CCCS1(=O)=O)C1CCN(CC#N)CC1 1005472881 IKCZCIHYJWRWST-UHFFFAOYSA-N 314.411 -0.532 30 20 DBED COc1cncc(C(=O)N2CCN(C(=O)[C@H](C)C#N)CC2)n1 1011133186 UDSKBFZPJMQGSG-SNVBAGLBSA-N 303.322 -0.071 30 20 DBED Cn1cc(C(=O)NC2[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]23)nc1O 1013724601 GDUUZZXPHOZEOG-GHMZBOCLSA-N 314.345 -0.274 30 20 DBED C=CCCn1cc(C(=O)N[C@@H]2CCN([C@H](C)C(=O)NC)C2)nn1 1015821634 YCLKHFBLDYLPPW-VXGBXAGGSA-N 320.397 -0.207 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@@]2(CCN(C(=O)C(N)=O)C2)O1 1017833610 YIWCWIKYLIWKCU-BZNIZROVSA-N 319.361 -0.897 30 20 DBED C#CCN[C@H]1C[C@H](NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 1020149729 AMFMRWFVOVYHIZ-IJLUTSLNSA-N 301.350 -0.367 30 20 DBED O=C(C#CC1CC1)N1C[C@@H]2CCN(C(=O)[C@@H]3COCCO3)[C@@H]2C1 1021129957 DTJQKEMEYPLYNU-ZNMIVQPWSA-N 318.373 -0.126 30 20 DBED C#CCN1[C@H]2CC[C@H]1CC(NC(=O)[C@@H]1CC(=O)NC(=O)N1)C2 1021395573 KYMALCPPNIKYJJ-SRVKXCTJSA-N 304.350 -0.671 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2C[C@@H](NCC(=O)N3CCC3)C2)[nH]1 1021981093 LRGLIGTVAMZILN-TXEJJXNPSA-N 301.350 -0.031 30 20 DBED C=CCN1CC[C@@H](N[C@H]2C[C@@H](NC(=O)Cc3nc[nH]n3)C2)C1=O 1022956170 TZBRZIYNLOKRCD-GRYCIOLGSA-N 318.381 -0.629 30 20 DBED C#CCN1CCC[C@@H]1CNC(=O)[C@H]1CCc2nnc(O)n2C1 1027978359 KOWNYNFDRMPEIH-NWDGAFQWSA-N 303.366 -0.240 30 20 DBED N#Cc1cc(C(=O)NC[C@H]2CCN([C@@H]3CCNC3=O)C2)c[nH]1 1028489111 SFLIIWZDFJXSQX-ZWNOBZJWSA-N 301.350 -0.173 30 20 DBED N#CCN1[C@H]2CC[C@H]1CN(C(=O)[C@H]1CCCN(C(N)=O)C1)C2 1029384706 RTFTXJRHSHOFAH-AVGNSLFASA-N 305.382 -0.024 30 20 DBED CC#CCN1[C@H]2CC[C@H]1CN(C(=O)[C@@H]1COCCN1C(C)=O)C2 1029590194 JAVBTEBUGDAAMD-JYJNAYRXSA-N 319.405 -0.068 30 20 DBED N#Cc1ccc(CN2CC(NC(=O)Cn3ncnn3)C2)s1 1030315954 QVLOGJFCCACJKN-UHFFFAOYSA-N 303.351 -0.393 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN([C@H]2CCCN(C)C2=O)C1 1030977084 BRFSSFMMWZPOSD-RDBSUJKOSA-N 307.394 -0.001 30 20 DBED C#CCN1CC[C@H](N(C)C(=O)c2ccc(S(N)(=O)=O)o2)C1 1033232788 VYVILCMZPWJLKR-JTQLQIEISA-N 311.363 -0.294 30 20 DBED CCN(C(=O)[C@@H]1CCc2nnc(O)n2C1)[C@H]1CCN(CC#N)C1 1033878923 VUPKYWVFFGIKLM-NEPJUHHUSA-N 318.381 -0.008 30 20 DBED CC#CCN1CCCC[C@H](NC(=O)Cn2nc(C)n(C)c2=O)C1 1034509671 NHNWOBPQPKZJCG-AWEZNQCLSA-N 319.409 -0.116 30 20 DBED C#CCN[C@H]1CC[C@H](NC(=O)c2cn(C)c(=O)nc2O)CC1 1034793350 XUWOKEKPGREBMR-XYPYZODXSA-N 304.350 -0.250 30 20 DBED CC(=O)Nc1cc(C(=O)NC[C@H]2CN(CC#N)CCO2)ccn1 1035554973 IPZSTSAOGYCYRL-ZDUSSCGKSA-N 317.349 -0.006 30 20 DBED C#CCN[C@@H]1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)C[C@H]1C 1036215801 BBRWHNLJDXUXOP-CHWSQXEVSA-N 318.377 -0.614 30 20 DBED C#CCCN1CC[C@H]1CNC(=O)[C@@H]1Cc2cncn2C(=O)N1 1038549108 SZZDZWHNTPNMOT-AAEUAGOBSA-N 301.350 -0.421 30 20 DBED Cc1ncc(C(=O)N2CC[C@@](O)(CNC(=O)[C@@H](C)C#N)C2)[nH]1 1040760183 GCSJBXCIQSFDME-LKFCYVNXSA-N 305.338 -0.429 30 20 DBED C=CCC1(C(=O)N2CC(O)(CNC(=O)CNC(C)=O)C2)CCC1 1041209027 KTWZAPWSXBSDQC-UHFFFAOYSA-N 323.393 -0.442 30 20 DBED Cn1cncc1C(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1O 1041227956 JSUDLXHNBNUEIS-DGCLKSJQSA-N 312.333 -0.334 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)CN2CCCC2=O)C1 1041407715 JMNWQWAKIOYXED-UHFFFAOYSA-N 321.377 -0.898 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)CC2(O)CCC2)C1 1042949545 PSFIKAGJVKUHTA-GFCCVEGCSA-N 324.377 -0.981 30 20 DBED C=C(C)CCC(=O)NCC1(O)CN(C(=O)C2(NC(N)=O)CC2)C1 1043309986 AWVVGICTRXPJSD-UHFFFAOYSA-N 324.381 -0.767 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)Cc2ccc(F)cn2)C1 1043606277 FELLEUFQZQGIBD-SNVBAGLBSA-N 320.324 -0.388 30 20 DBED C=C(Cl)CN1CC(N(C)C(=O)c2cc(=O)n3[nH]cnc3n2)C1 1044182790 YZENJNNOFNBNBS-UHFFFAOYSA-N 322.756 -0.074 30 20 DBED C#Cc1ccc(C(=O)NCC2(O)CN(C(=O)[C@H](C)OC)C2)nc1 1044250939 BBCLDWLAFBLVSH-NSHDSACASA-N 317.345 -0.599 30 20 DBED CCc1cc(C(=O)N2CC(O)(CNC(=O)[C@@H](C)C#N)C2)no1 1045546439 MCFXPRSPLDPHBM-VIFPVBQESA-N 306.322 -0.300 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)c2c(F)cncc2F)C1 1045552350 SGXOXSCOVFPJLN-MRVPVSSYSA-N 324.287 -0.177 30 20 DBED Cn1cnc(C(=O)N2CC[C@H]3CC[C@@H](C2)N3CC#N)cc1=O 1045797500 LHAYQKSYCIRJGG-NEPJUHHUSA-N 301.350 -0.017 30 20 DBED Cc1nn(CC(=O)N2CC[C@H]3CC[C@@H](C2)N3CC#N)c(=O)n1C 1045884468 BYJQELUSMYHTDY-OLZOCXBDSA-N 318.381 -0.521 30 20 DBED C#CCN1CC[C@H](N2CCN(C(=O)c3cc[n+]([O-])cc3)CC2)C1 1046000029 NKFWXCIXVSWMBN-INIZCTEOSA-N 314.389 -0.215 30 20 DBED C=CCN1CC[C@@H](N2CCN(C(=O)[C@H]3CN(C)CCO3)CC2)C1 1046014515 YSDYFLJVAJOJBF-HZPDHXFCSA-N 322.453 -0.279 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccnc(OC)n2)C1 1047452925 IRLMCOAJDFBCJZ-STQMWFEESA-N 304.350 -0.374 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)C(=O)N2CCC[C@H](C)C2)C1 1047554337 BMLNSKXYAPMENY-IHRRRGAJSA-N 309.410 -0.066 30 20 DBED C=CCCOCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC(N)=O)C2 1047579688 OHFCWPVBHDVIGC-AVGNSLFASA-N 323.393 -0.050 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCCN2C(N)=O)C1 1047592564 VUTQKOZKQGYNSZ-RDBSUJKOSA-N 322.409 -0.554 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCO2)C1 1048167463 YYFAFYRXGSNLCZ-AVGNSLFASA-N 312.366 -0.602 30 20 DBED C=CCOCC(=O)N(C)[C@H]1CN(C(=O)CCOCC)C[C@@H]1O 1048554932 LNIMUNZDRHKEDS-STQMWFEESA-N 314.382 -0.354 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CC2(O)CCC2)C1 1048816766 IZJYJCXOOCMDNK-WOPDTQHZSA-N 309.366 -0.519 30 20 DBED CC#CCN1C[C@H]2CN(C(=O)CN3CCN(C)C(=O)C3)C[C@H]2C1 1048908775 VPNYXCGCEROPHV-GASCZTMLSA-N 318.421 -0.826 30 20 DBED C=CCO[C@H](C)C(=O)N(C)[C@H]1CN(C(=O)c2cocn2)C[C@@H]1O 1049011631 YMYVDAZIMBRMOG-WXHSDQCUSA-N 323.349 -0.091 30 20 DBED C=CCN1CCN([C@@H]2CCN(C(=O)[C@H]3COCCN3C)C2)CC1 1052017830 WITRIKRETWNRAW-HZPDHXFCSA-N 322.453 -0.279 30 20 DBED C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1CNC(=O)CC(N)=O 1052312316 BQNKGHYOAHYFPA-MWLCHTKSSA-N 317.349 -0.414 30 20 DBED CC#CCN1CCC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)CC1 1052395597 VRVPAFOKVKXJJE-LBPRGKRZSA-N 318.381 -0.629 30 20 DBED C=CCn1cccc1C(=O)N1C[C@H](C)[C@H](CNC(=O)C(N)=O)C1 1052814100 LDYGDIKVUPDQLY-NWDGAFQWSA-N 318.377 -0.016 30 20 DBED C#CCN1CC2(CC[C@@H](CNC(=O)c3cccc(=O)n3C)O2)C1 1053658776 FWVNYRMTSASODU-ZDUSSCGKSA-N 315.373 -0.018 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)[C@@H]3COCCN3C)CO2)C1 1053782328 NBCWLYWCHYOWIU-KBPBESRZSA-N 307.394 -0.700 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)[C@@H]3CCCN(C(C)=O)C3)CO2)C1 1053864440 AFIADYDBAGJKKN-CABCVRRESA-N 319.405 -0.162 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)c3nc4ncccn4n3)CO2)C1 1053961076 NJTFRUPKIAKJOG-NSHDSACASA-N 312.333 -0.669 30 20 DBED C[C@H](C(=O)N1CCN(c2ccnc(C#N)n2)CC1)S(C)(=O)=O 1056072298 PMMLMRFJMHNQGB-SNVBAGLBSA-N 323.378 -0.570 30 20 DBED Cn1ncc(C(=O)N2CC[C@@H](Nc3cncc(C#N)n3)C2)c1N 1056610204 NHBZCLHXNAZOET-SECBINFHSA-N 312.337 -0.009 30 20 DBED C=CCCOCC(=O)NCCN(CCO)C(=O)c1cnn(C)c1 1056936156 QYEZPSCSQFMUMC-UHFFFAOYSA-N 324.381 -0.437 30 20 DBED C#CCO[C@H](C)C(=O)N(CCO)CCNC(=O)[C@@H](CC)OC 1057582963 DFYNXNQKSOEWFI-CHWSQXEVSA-N 314.382 -0.613 30 20 DBED COCC1(C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N)CCC1 1058117597 BOYFYNWACZOOOH-LBPRGKRZSA-N 311.382 -0.100 30 20 DBED N#Cc1cnc(N2CC[C@@H](NC(=O)[C@H]3CCNC(=O)C3)C2)cn1 1058335829 GKMRPXCJTPXFDX-WDEREUQCSA-N 314.349 -0.431 30 20 DBED N#Cc1nc(=N[C@H]2C[C@H](NC(=O)C[C@@H]3COC(=O)C3)C2)cc[nH]1 1059195214 WZYXRBRNRWUHRX-DCAQKATOSA-N 315.333 -0.218 30 20 DBED C[C@H](C#N)C(=O)NCC[C@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 1060277824 PUUHLVWJSGXNHJ-MNOVXSKESA-N 306.366 -0.234 30 20 DBED C[C@@H](C#N)C(=O)NCc1ccccc1CN(C)C(=O)C(N)=O 1060522044 OAIIWQMIQGMFSG-JTQLQIEISA-N 302.334 -0.094 30 20 DBED CN(c1nccnc1C#N)[C@@H]1CCCN(C(=O)CC(N)=O)C1 1061181949 CEZWZZPQLFDEOD-SNVBAGLBSA-N 302.338 -0.349 30 20 DBED Cn1cc(C(=O)NC[C@H]2CCCN2c2cnc(C#N)cn2)nn1 1061349220 RUJYRUNCYFWCIG-LLVKDONJSA-N 312.337 -0.124 30 20 DBED C#CCOCCC(=O)N1CCOC[C@H]1CNC(=O)[C@@H]1CCOC1 1061385785 BILPYWPLMAFIHR-ZIAGYGMSSA-N 324.377 -0.594 30 20 DBED C#CCCCCCC(=O)N1CCOC[C@@H]1CNC(=O)CC(N)=O 1061456158 RMOLIFVVHORTFA-ZDUSSCGKSA-N 323.393 -0.211 30 20 DBED C#CCCCCC(=O)NC[C@@H]1COCCN1C(=O)CC(N)=O 1061514369 DGVDYDHKHNIKDQ-GFCCVEGCSA-N 309.366 -0.601 30 20 DBED C#CCCCC(=O)NC[C@H]1COCCN1C(=O)[C@H](C)CC(N)=O 1061534340 MBZMMLXOTRPYHC-OLZOCXBDSA-N 323.393 -0.355 30 20 DBED Cc1nc(O)[nH]c1C(=O)N1CCOC[C@H]1CNC(=O)[C@@H](C)C#N 1061853639 TWPBRTRABJDZQF-WCBMZHEXSA-N 321.337 -0.459 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)c2cc(=O)n(C)o2)CCC1 1062856474 SKYGRXMAEPPCNP-SECBINFHSA-N 306.322 -0.093 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@H]1CN(C(=O)C(F)F)CCO1 1064717887 WAPCHPIUFANQOC-RNCFNFMXSA-N 306.309 -0.078 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@H]1CN(C(=O)c2cc[nH]n2)CCO1 1064887015 BHHGCTLGKBHCCI-ABAIWWIYSA-N 322.365 -0.306 30 20 DBED C#CCCCC(=O)N1CCO[C@@H](CNC(=O)[C@H]2COC(=O)N2)C1 1065093213 SJNNQJOJNDRTCX-NWDGAFQWSA-N 323.349 -0.758 30 20 DBED CC(C)N(C)CC(=O)N1CCO[C@@H](CNC(=O)[C@@H](C)C#N)C1 1065253937 ORCUKENFEKELKV-STQMWFEESA-N 310.398 -0.170 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@H](CNC(=O)CCCN(C)C)C1 1065556295 GGZWVMACQAZOOM-CHWSQXEVSA-N 310.398 -0.169 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC[C@@H](NC(=O)CC(N)=O)CC1 1066015370 SDEMXPWXVNSZPF-NWDGAFQWSA-N 309.366 -0.603 30 20 DBED C[C@@H]1CN(C(=O)Cn2cncn2)C[C@@H]1Nc1nccnc1C#N 1067098144 CXJRXPAKDBVKFD-PWSUYJOCSA-N 312.337 -0.101 30 20 DBED C[C@H](C#N)C(=O)N(C)CCCN(C)C(=O)c1cn(C)c(=O)n1C 1067680872 NDISFNGKLLXYEK-LLVKDONJSA-N 321.381 -0.196 30 20 DBED N#Cc1cnc(N2C[C@@H]3CC[C@H](NC(=O)C(N)=O)C[C@H]3C2)cn1 1068268330 XQJQYSXUBHZMKO-DCAQKATOSA-N 314.349 -0.445 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1COC2(C1)CN(C(=O)c1cnnn1C)C2 1069004313 VKIVCVUNDHAICR-VHSXEESVSA-N 318.337 -0.926 30 20 DBED C=CCCC(=O)NCC1(NC(=O)c2nnn(C)n2)CCOCC1 1070202412 QJVQMWLLJRPYBK-UHFFFAOYSA-N 322.369 -0.429 30 20 DBED C=CCN[C@@H]1CN(C(=O)[C@H]2CCC(=O)NC2)C[C@@H]1n1ccnn1 1070224133 OVMFGTOWCHYILX-XQQFMLRXSA-N 318.381 -0.668 30 20 DBED C#CCN[C@@H]1CN(C(=O)Cc2cncn2C)C[C@@H]1n1ccnn1 1070310890 AHYYYARZHQIMHP-KGLIPLIRSA-N 313.365 -0.771 30 20 DBED N#CCN1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2COCCO2)C1 1070398711 XLTMCWGAEFLHNU-DGCLKSJQSA-N 319.365 -0.246 30 20 DBED Cn1nncc1C(=O)NCc1c[nH]nc1[C@H]1CCN(CC#N)C1 1070407310 BUOTVRNSBHZWOT-JTQLQIEISA-N 314.353 -0.219 30 20 DBED C=CCN1C[C@H]2C[C@H]3CN(C(=O)[C@H]4COCCO4)C[C@@]3(C1)O2 1070767428 YNBZBNDVPHNYFW-DSJMHWKBSA-N 308.378 -0.111 30 20 DBED CCc1cc(C(=O)N2CCC(=O)NCCN(CC#N)CC2)n[nH]1 1070939613 UAQOKRLUHZFOLZ-UHFFFAOYSA-N 318.381 -0.240 30 20 DBED CC#CCN1CC[C@]2(C1)CN(C(=O)Cn1nccn1)C[C@@H](C)O2 1071174170 UOZWZPDZJKFLKG-ZBFHGGJFSA-N 317.393 -0.007 30 20 DBED C=CCOCC(=O)N1C[C@@H](C)[C@@H](NC(=O)CS(C)(=O)=O)C1 1071808816 LTSCCVBVRCHXES-MNOVXSKESA-N 318.395 -0.803 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(C(=O)Cn2cncn2)C[C@@H]1C 1072773651 UKBYZHMNHQDIJP-QWHCGFSZSA-N 321.381 -0.166 30 20 DBED COCC(=O)NCC1(O)CCN(C(=O)c2cc(C#N)c[nH]2)CC1 1074534507 SWTMLOYJMHZGFK-UHFFFAOYSA-N 320.349 -0.384 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC[C@H](C)NC(=O)CCCC(N)=O 1076308523 HQZDQWVHKOUDSY-XHDPSFHLSA-N 313.398 -0.020 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)C(=O)N2CCC[C@@H](C)C2)C1 1077788604 GEQWEFCPLJUEKJ-MGPQQGTHSA-N 309.410 -0.018 30 20 DBED C=CCOCC(=O)N1CCC[C@@H](N(C)C(=O)CC(N)=O)CC1 1078893849 GZGLABOYVLIHQL-GFCCVEGCSA-N 311.382 -0.096 30 20 DBED Cn1nc(C(=O)N2C[C@H]3CC[C@H]2[C@H](NCC#N)C3)ccc1=O 1079102353 NBYKDBIMUVNLIG-UHTWSYAYSA-N 301.350 -0.113 30 20 DBED C#CCCCC(=O)N(CC)C1CN(C(=O)[C@@H]2CCNC2=O)C1 1079681775 BGJSFICWRZPCLJ-CYBMUJFWSA-N 305.378 -0.015 30 20 DBED C#CCCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CNC(=O)CC)C1 1081349795 UEXGJVVLZXDXMA-QWHCGFSZSA-N 323.393 -0.748 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2(CF)CC2)C1 1081755562 QRJRKNWUJCLPFF-NWDGAFQWSA-N 314.357 -0.126 30 20 DBED C=C(C)CCC(=O)N1C[C@H](O)[C@H](CNC(=O)Cc2nc[nH]n2)C1 1081792094 YOGJJFLVLBNZRN-NEPJUHHUSA-N 321.381 -0.361 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@H]1CCCN1C(=O)C(C)C 1082376537 YWQSMARJQAKHSU-MGPQQGTHSA-N 322.409 -0.028 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2cnn(-c3ccccc3)n2)C1 1084043161 HSCWWYCHQVLYFB-CABCVRRESA-N 311.345 -0.325 30 20 DBED COCCN1C[C@@H](C(=O)NC[C@H]2C[C@H](NCC#N)C2)CC1=O 1086381399 VCRZRZWRCAVOFK-AVGNSLFASA-N 308.382 -0.511 30 20 DBED C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@H]2CCS(=O)(=O)N2)C1 1086554775 AYZGCSZEOPCVEL-GMTAPVOTSA-N 321.830 -0.085 30 20 DBED C#CCN[C@H]1CCCCCN(C(=O)CC[C@H]2NC(=O)NC2=O)C1 1088421827 AMUWCNWUDHTUJA-QWHCGFSZSA-N 320.393 -0.031 30 20 DBED N#CCN1C[C@H](NC(=O)c2cnn[nH]2)CC2(CCOCC2)C1 1089946483 KGJQOSXRTVLJFH-LLVKDONJSA-N 304.354 -0.071 30 20 DBED C=C(C)CCN1CC[C@H](NC(=O)CN2CCCNC2=O)[C@H](O)C1 1090392213 RCDHTNHEZARUGR-UONOGXRCSA-N 324.425 -0.081 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2noc3c2COCC3)[C@H](O)C1 1090822093 AJAUJKPYVQBPGH-QWHCGFSZSA-N 319.361 -0.064 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1[C@@H]2CN(c3ccncc3C#N)C[C@@H]21 1093265845 LRRWFXDDGCQMIE-LAQFHYBYSA-N 323.356 -0.356 30 20 DBED CC(=O)N1CCC[C@@H]1C(=O)NCCNc1cnc(C#N)cn1 1093683537 BAYGWFYXVJVHMY-GFCCVEGCSA-N 302.338 -0.113 30 20 DBED CNC(=O)C1(C(=O)NCCNc2cncc(C#N)n2)CCC1 1093769736 QTYGRCUGHNLVBI-UHFFFAOYSA-N 302.338 -0.207 30 20 DBED COc1c[nH]c(C(=O)NCCNc2cnc(C#N)cn2)cc1=O 1093993693 NMGNQHANXQIPNX-UHFFFAOYSA-N 314.305 -0.113 30 20 DBED CC#CCN1CCN(C(=O)C(F)F)[C@@H]2CS(=O)(=O)C[C@@H]21 1094596825 HKFSZJIKRMRFHU-VHSXEESVSA-N 306.334 -0.415 30 20 DBED COc1cc(C(=O)N[C@@H]2CC(=O)N(C3CN(CC#N)C3)C2)on1 1094726925 DWWAQXYVJBPCQR-SECBINFHSA-N 319.321 -0.778 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)Cc3ccnn3C)CC2=O)C1 1094730668 HKTBXGGCETXXPU-LBPRGKRZSA-N 317.393 -0.450 30 20 DBED C[C@H](C(=O)NCCCN=c1cc[nH]c(C#N)n1)[C@H]1CCC(=O)N1 1094796229 CBCPNYSBCFYMJU-WDEREUQCSA-N 316.365 -0.397 30 20 DBED CNC(=O)NCC(=O)NC1CCN(c2ncccc2C#N)CC1 1095450071 YBZHCCMFZRWYKQ-UHFFFAOYSA-N 316.365 -0.033 30 20 DBED N#Cc1cnccc1N1CCN(CCCNC(=O)C(N)=O)CC1 1096256694 MYYMBYKBRMAVKF-UHFFFAOYSA-N 316.365 -0.933 30 20 DBED Cc1cc(C#N)nc(N[C@H]2C[C@H](NC(=O)CCNC(N)=O)C2)n1 1097030140 RWOWMKOZPRBRCL-MGCOHNPYSA-N 317.353 -0.226 30 20 DBED C[C@H](CNC(=O)[C@@H]1CN(C)CCO1)N=c1cc[nH]c(C#N)n1 1097768963 WQBOKLWZTKBLGE-MNOVXSKESA-N 304.354 -0.983 30 20 DBED C[C@@H](CNC(=O)C[C@@H]1CCC(=O)N1)N=c1cc[nH]c(C#N)n1 1097950258 LYPUMDYZOLAOOY-UWVGGRQHSA-N 302.338 -0.645 30 20 DBED C[C@@H](CNC(=O)C12CCN(CC1)C2)N=c1cc[nH]c(C#N)n1 1097972747 BANUBWGOZFAKRG-NSHDSACASA-N 300.366 -0.217 30 20 DBED CN(C)CCC(=O)N1CC[C@H](CN=c2cc[nH]c(C#N)n2)C1 1098571960 XEAIZRUVVKQCKT-GFCCVEGCSA-N 302.382 -0.018 30 20 DBED C#CCNCc1cn([C@H]2CCN(C(=O)CC(=O)N(C)C)C2)nn1 1098744819 CMNRKJFSKSFCJR-ZDUSSCGKSA-N 318.381 -0.747 30 20 DBED CC1(C)CC[C@H](CNC(=O)CN2C(=O)CNC2=O)N(CC#N)C1 1099328963 JNXQFGUCQPBADV-LLVKDONJSA-N 321.381 -0.331 30 20 DBED C[C@@H](CCNC(=O)[C@H]1C[C@H]1C(N)=O)Nc1nccnc1C#N 1099691701 LATQIQSLAICMMQ-AEJSXWLSSA-N 302.338 -0.224 30 20 DBED CNC(=O)NCC(=O)NCC[C@@H](C)Nc1cnc(C#N)cn1 1099748260 SWMLKLYLMBNOIC-SECBINFHSA-N 305.342 -0.416 30 20 DBED C#CCCCC(=O)N[C@@H]1CCN(Cc2ncnn2C)C[C@H]1O 1099806426 AOTQCOWTWQEXKK-CHWSQXEVSA-N 305.382 -0.330 30 20 DBED N#CCN1CC[C@H](NC(=O)COCc2ccncc2)[C@@H](O)C1 1100053968 SIKGZZWOBMIDSV-KBPBESRZSA-N 304.350 -0.327 30 20 DBED CCN(CCNC(=O)c1cc(=O)n(C)o1)c1cnc(C#N)cn1 1100506451 RYKFRPJBILTWKQ-UHFFFAOYSA-N 316.321 -0.104 30 20 DBED Cc1nnc(CC(=O)NC[C@@H](C)CN=c2cc[nH]c(C#N)n2)o1 1103929239 SQAIEQQNILOCSN-VIFPVBQESA-N 315.337 -0.132 30 20 DBED CO[C@H](C)C(=O)NC[C@H]1CN(c2ccc(C#N)nn2)CCO1 1104293550 XBMCLVGKDQRJSE-PWSUYJOCSA-N 305.338 -0.295 30 20 DBED C[C@H](CN=c1cc[nH]cc1C#N)N(C)C(=O)[C@H]1CCC(=O)N1 1104496603 WSIFMWLWRGZOKE-ZWNOBZJWSA-N 301.350 -0.087 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)[C@H]1CN(C)CCO1 1104538854 QUFYNTUPOMWWSL-NWDGAFQWSA-N 318.381 -0.640 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)[C@H]1CCCNC1=O 1104715190 ZTUIAQIKADVYNH-MNOVXSKESA-N 316.365 -0.445 30 20 DBED C#CCCNCc1cn(C2CN(C(=O)c3cncnc3)C2)nn1 1105218089 WTNWOZDEZNUEJJ-UHFFFAOYSA-N 311.349 -0.122 30 20 DBED CN(CCN(C)c1ccc(C#N)nn1)C(=O)[C@H]1CCC(=O)N1C 1105530241 NHFCDAYWMJMCIV-GFCCVEGCSA-N 316.365 -0.136 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H](O)CNC(=O)c1cc[n+]([O-])cc1 1105714853 JAMXNCBJTXHWFK-ZDUSSCGKSA-N 313.317 -0.789 30 20 DBED Cc1cc(C#N)nc(NC[C@H](O)CNC(=O)COCC2CC2)n1 1105717759 ALBJJFVWQYUTFZ-CYBMUJFWSA-N 319.365 -0.028 30 20 DBED N#Cc1cncc(NC[C@H](O)CNC(=O)C2=COCCC2)n1 1105742188 OJBXSDGVZHLKNX-LBPRGKRZSA-N 303.322 -0.068 30 20 DBED Cc1cc(C#N)nc(NC[C@H](O)CNC(=O)[C@@H]2CCCOC2)n1 1105743211 YIXBTKQJBTYDMP-DGCLKSJQSA-N 319.365 -0.028 30 20 DBED CC(=O)N(C)CC(=O)NC[C@H](O)CNc1nc(C)ccc1C#N 1105753578 AILSPNZYNDOPCX-ZDUSSCGKSA-N 319.365 -0.371 30 20 DBED Cc1cc(=NC[C@H](O)CNC(=O)c2cncnc2)c(C#N)c[nH]1 1105802850 SIMBHHSITBUBLF-ZDUSSCGKSA-N 312.333 -0.324 30 20 DBED Cc1nsc(NC[C@@H](O)CNC(=O)c2cn(C)nn2)c1C#N 1105816409 YQDJCMGLJIRBRG-QMMMGPOBSA-N 321.366 -0.346 30 20 DBED N#Cc1cccnc1NC[C@H](O)CNC(=O)c1cncnc1O 1106007932 XXARIFUKUVZAPO-JTQLQIEISA-N 314.305 -0.348 30 20 DBED Cc1cncn1CC(=O)NC[C@H](O)CNc1cnc(C#N)cn1 1106026562 KQKONATZPXRLTB-GFCCVEGCSA-N 315.337 -0.558 30 20 DBED CC[C@H](NC(C)=O)C(=O)NC[C@@H](O)CNc1ccc(C#N)cn1 1106123230 KMQSPOZZSWCIPD-STQMWFEESA-N 319.365 -0.243 30 20 DBED C#CCNC[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CCOC)C2)C[C@H]1C 1106198893 RQPCYJWRPCYWLI-RBSFLKMASA-N 321.421 -0.201 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)[C@@H](C)NC(C)=O 1106675208 MRVLXYDMKVMCDJ-SNVBAGLBSA-N 304.354 -0.445 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)CNC(=O)OC 1106684226 KPXUPYROYSMLFD-UHFFFAOYSA-N 306.326 -0.613 30 20 DBED C[C@@H]1CN(C(=O)CN2CCC(=O)NC2=O)C[C@H]1CNCC#N 1106844026 QZWQVHBLDVNWDP-GHMZBOCLSA-N 307.354 -0.864 30 20 DBED C[C@H](NC(N)=O)C(=O)NC/C=C/CN=c1cc[nH]cc1C#N 1107168873 OKQQKWQTILMSNI-PBKGFPTLSA-N 302.338 -0.484 30 20 DBED C[C@H](C(=O)NC[C@@]1(C)CN(CC#N)CCO1)N1C(=O)CCC1=O 1107982827 DEJFFHYONVQWGM-ABAIWWIYSA-N 322.365 -0.745 30 20 DBED C=C(C)CN1CCO[C@](C)(CNC(=O)CN2CC(=O)NC2=O)C1 1108283368 ATPABEHTEHMHTK-OAHLLOKOSA-N 324.381 -0.679 30 20 DBED C[C@]1(CNC(=O)[C@H]2CCCS2(=O)=O)CN(CC#N)CCO1 1108408718 JRMXQQINTWWFFR-YPMHNXCESA-N 315.395 -0.706 30 20 DBED C=CCCCN1CC(N2C[C@H](NC(=O)CNC(C)=O)CC2=O)C1 1108499250 XUEODQCVLCUGHA-CYBMUJFWSA-N 322.409 -0.510 30 20 DBED CC(=O)CCCC(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1 1108507889 SZRBHAKSLOPFOB-LBPRGKRZSA-N 306.366 -0.329 30 20 DBED C[C@@H](CNc1cnc(C#N)cn1)NC(=O)C[C@@H]1CCNC1=O 1108573859 LFABDPXLECRCHO-UWVGGRQHSA-N 302.338 -0.209 30 20 DBED N#Cc1cncc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)C2(C(N)=O)CC2)n1 1109740252 MKLBLOCXBMJDQG-UBHAPETDSA-N 312.333 -0.693 30 20 DBED C#CCCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CS(=O)(=O)N(C)C 1110050067 MUTKJRKIDMACFT-AGIUHOORSA-N 313.423 -0.377 30 20 DBED CCOCC(=O)NC[C@]1(O)CCN(c2ccnc(C#N)n2)C1 1111022874 RFTYMOSVPZBBLZ-CQSZACIVSA-N 305.338 -0.558 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C(C)(C)NS(C)(=O)=O 1111112200 CTPJDSLCZBZBNR-UTUOFQBUSA-N 313.423 -0.331 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCn1cc[nH]c(=O)c1=O 1111151712 IBVOPSXDLDAGQJ-UPJWGTAASA-N 316.361 -0.719 30 20 DBED N#Cc1nccnc1N1C[C@H]2C[C@@H](NC(=O)CC(N)=O)C[C@H]1C2 1111153563 LKDSOFAWPNIJLI-HBNTYKKESA-N 314.349 -0.303 30 20 DBED CN(CCCN(C)c1ccc(C#N)nn1)C(=O)Cn1ncnn1 1112131673 OBPFTLKLQIOOGN-UHFFFAOYSA-N 315.341 -0.680 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H](C)N(C)c1nccnc1F 1113567224 MRHUYYDXBLFUJS-SNVBAGLBSA-N 307.329 -0.304 30 20 DBED C[C@@H](C[C@H]1CCCO1)C(=O)N1CCN(CC(=O)NCC#N)CC1 1113703548 BSDMBMMILUJPBD-UONOGXRCSA-N 322.409 -0.024 30 20 DBED C#CCCCC(=O)NC1[C@@H]2CN([C@@H](C)C(=O)NC(=O)NC)C[C@@H]12 1114201188 LCEZXVMRVAHDQN-QJPTWQEYSA-N 320.393 -0.320 30 20 DBED C=C(Cl)CN1C[C@H]2C(NC(=O)CCNS(C)(=O)=O)[C@@H]2C1 1114363648 HOUPLKMTYDTWRB-NXEZZACHSA-N 321.830 -0.275 30 20 DBED C#CCCN1C[C@H]2[C@H](NC(=O)CCn3ncn(C)c3=O)[C@H]2C1 1114618310 AXXJACDCVZFECO-IMRBUKKESA-N 303.366 -0.958 30 20 DBED CO[C@@H](C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21)C1CCC1 1114639451 WTCILWQBIMAKRA-PAPYEOQZSA-N 320.393 -0.512 30 20 DBED COCC#CCN1C[C@@H]2C(NC(=O)CCc3cnn[nH]3)[C@H]2C1 1114858420 AJWLGUHPAHUYMR-STQMWFEESA-N 303.366 -0.567 30 20 DBED C=CCCOCC(=O)NC1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]12 1115324407 PYSSAZNCNGAGPV-VXGBXAGGSA-N 306.366 -0.735 30 20 DBED C=CCn1cc(C(=O)NS(=O)(=O)C2CCOCC2)nn1 1118238076 VOVINYLNESGUNU-UHFFFAOYSA-N 300.340 -0.297 30 20 DBED CC[C@]1(O)CCN(C(=O)C(=O)N2CCN(CCC#N)CC2)C1 1118946203 TZDFKCOYLCRJJJ-HNNXBMFYSA-N 308.382 -0.582 30 20 DBED C[C@@H](C#N)C(=O)NC1CC2(CC(NCc3nnnn3C)C2)C1 1120834970 RTLKIPJGJGGOHO-ICYBPSJXSA-N 303.370 -0.113 30 20 DBED Cc1cnc(C(=O)NC[C@H](CO)N=c2cc[nH]cc2C#N)cn1 1121150541 NBSUTIZISMNSMG-GFCCVEGCSA-N 312.333 -0.324 30 20 DBED C[C@]1(C(=O)NC[C@@H](CO)Nc2cnc(C#N)cn2)CCOC1 1121914160 KRNRUICNSIJKLM-FZMZJTMJSA-N 305.338 -0.336 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H](CO)CNC(=O)CO[C@H]1CCOC1 1122068055 AJWJKRQUEIEWEZ-OLZOCXBDSA-N 320.349 -0.930 30 20 DBED N#Cc1nccnc1N[C@H](CO)CNC(=O)CO[C@@H]1CCOC1 1122071997 UACZSYXFMQCDKQ-WDEREUQCSA-N 321.337 -0.957 30 20 DBED CCC[C@@H](OCC)C(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1 1122431226 UNWSHCIIIUIYMD-VXGBXAGGSA-N 321.381 -0.136 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)[C@H](C)OC 1124281285 DGCHBONASQJTJV-UWVGGRQHSA-N 300.359 -0.873 30 20 DBED N#Cc1ccc(C(=O)NCCNCC(=O)NC[C@H]2CCOC2)[nH]1 1125819241 UXAWVBNISPHQAA-LLVKDONJSA-N 319.365 -0.642 30 20 DBED C#CCNC(=O)CC(=O)NCCNCc1nnc(C(C)C)o1 1125978589 UODWRNAOPMHPNE-UHFFFAOYSA-N 307.354 -0.462 30 20 DBED CO[C@@H](C)C(=O)N[C@@H]1CCc2nnc(CNCC#N)n2CC1 1127944384 RIIZZDCNGZUQKY-WDEREUQCSA-N 306.370 -0.253 30 20 DBED CCOCCOCC(=O)NCc1cnn2c1CN(CC#N)CC2 1128593826 NBVJUTFKSNLYKT-UHFFFAOYSA-N 321.381 -0.108 30 20 DBED C[C@H](OCC1CC1)C(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1 1128798820 SDEAZHDMDUKAMW-YUTCNCBUSA-N 318.381 -0.042 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)C[C@@](C)(O)C=C)C1 1128962078 NMRBBJZIGWRKNO-IPYPFGDCSA-N 303.366 -0.420 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)CO[C@H]2CCOC2)C1 1129004508 RNHGTSRAZCEINQ-MJBXVCDLSA-N 319.365 -0.942 30 20 DBED CO[C@H](C(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1)C(C)C 1129228609 ZRQMHAVHXSCSRN-AGIUHOORSA-N 306.370 -0.186 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)C[C@H]1CCC(=O)NC1 1129270051 SNTWUBZOKDGGFV-VXGBXAGGSA-N 310.398 -0.701 30 20 DBED C#CCCN[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@@H]1n1ccnn1 1129803360 HOWCEARVEXLGKQ-YPMHNXCESA-N 314.353 -0.915 30 20 DBED O=C(C#CC1CC1)N1C[C@H](n2ccnn2)[C@H](NCCCO)C1 1129817350 XVUQGLKEHSPSFZ-KGLIPLIRSA-N 303.366 -0.585 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1cnc2n1CCOC2 1129906388 FTOGUYCKYLSKNW-UHFFFAOYSA-N 307.354 -0.965 30 20 DBED C#CCN[C@@H]1CN(C(=O)CNC(=O)OC)C[C@H]1c1cn(C)cn1 1130509785 PQTVKTVPWCNGBD-WCQYABFASA-N 319.365 -0.707 30 20 DBED C#CCNC(=O)CN1C[C@H]2C[C@@H]3CN(C(=O)C(C)C)C[C@@]3(C1)O2 1131181175 OAHJNJMYALBTAP-CKEIUWERSA-N 319.405 -0.307 30 20 DBED C=CCOCC(=O)N1CC2(CCN([C@@H](C)C(=O)NC(N)=O)C2)C1 1147256274 RITWMXULIPHKHY-NSHDSACASA-N 324.381 -0.693 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)c1n[nH]cc1F)C2 1148226821 UQCVRJGDFWJRIH-UHFFFAOYSA-N 319.340 -0.554 30 20 DBED C=CCOCC(=O)NC[C@H]1CN([C@H](C)C(=O)NC)CCCO1 1149384748 WTZLDIUVPWNIBP-OLZOCXBDSA-N 313.398 -0.469 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CN(CCn2cncn2)CCCO1 1149416593 UOEBJMQMYNCULL-QWHCGFSZSA-N 306.370 -0.355 30 20 DBED N#CCN1CCCO[C@H](CNC(=O)COC[C@@H]2CCOC2)C1 1150394935 NOZPDYGHKOYCOO-ZIAGYGMSSA-N 311.382 -0.230 30 20 DBED C#CCN(CC)[C@H](C)CNC(=O)CCn1cc[nH]c(=O)c1=O 1155851341 XIHHFLYQXZROTL-GFCCVEGCSA-N 306.366 -0.614 30 20 DBED C[C@H](C#N)C(=O)NCCCN[C@H](C)C(=O)NC(=O)NC1CC1 1155860879 YGUAQLDORVXYTG-NXEZZACHSA-N 309.370 -0.381 30 20 DBED C#CCNC(=O)CN1CC=C(CCNC(=O)[C@@H](C)OC)CC1 1159439064 UUBAIOUHESPLBQ-CYBMUJFWSA-N 307.394 -0.091 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)[C@]1(C)CCNC(=O)C1 1160905348 XQMPXLZCVFKOBY-BLLLJJGKSA-N 324.425 -0.311 30 20 DBED Cn1cc(C(=O)NCCC2=CCN(CC#N)CC2)c(O)nc1=O 1161869288 CFSFCGHEQMHCKS-UHFFFAOYSA-N 317.349 -0.239 30 20 DBED CC#CCNCC1(CCNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 1167207865 WMPVWVADTHAFPI-QWHCGFSZSA-N 307.394 -0.081 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)c2cn(CC)nn2)C1=O 1169579357 SUWUSZXVRORTBY-LBPRGKRZSA-N 320.397 -0.206 30 20 DBED C#CCNC(=O)CNCCCC[C@@H](C)NC(=O)[C@H]1CCC(=O)N1 1169767818 AYGDTVWIOLVZQL-CHWSQXEVSA-N 322.409 -0.721 30 20 DBED COCC#CCNCCCNC(=O)CNC(=O)c1ccccn1 1176812640 ODVREGKIKOJPRK-UHFFFAOYSA-N 318.377 -0.443 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2cc(C)ncn2)[C@H]1C 1178477814 PDMRPNBBLWRMSG-STQMWFEESA-N 315.377 -0.273 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)c2csnn2)[C@H]1C 1179244652 CCYPGBXNFMAKFS-VWYCJHECSA-N 321.406 -0.131 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)Cc2ccn(C)n2)C1 1182466012 HOVPTYDREAWDTR-GXTWGEPZSA-N 319.409 -0.156 30 20 DBED C#CCCNCc1cn([C@H]2CCCN(C(=O)C(N)=O)C2)nn1 1185993166 WRAFYGHZZQINBP-LBPRGKRZSA-N 304.354 -0.960 30 20 DBED CN(CC(=O)NCC#N)[C@H]1CCN(C(=O)c2cncs2)C1 1189114902 LGDAJBJYLDOQSG-JTQLQIEISA-N 307.379 -0.071 30 20 DBED Cc1[nH]nc(C(=O)N2CC[C@@H](N(C)CC(=O)NCC#N)C2)c1O 1189663254 BWQOXUDYJBAFGN-SNVBAGLBSA-N 320.353 -0.790 30 20 DBED CN(CC(=O)NCC#N)[C@@H]1CCN(C(=O)CCc2ncc[nH]2)C1 1189873439 FAZOGJQCKJWRBW-GFCCVEGCSA-N 318.381 -0.485 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)CCOCC#C)C1 1190114597 SQZNCAMGMDGJQE-AWEZNQCLSA-N 305.378 -0.692 30 20 DBED CCO[C@H](C(=O)N1CC[C@H](N(C)CC(=O)NCC#N)C1)C1CC1 1190203304 KHUYDSQBDIHKLU-ZFWWWQNUSA-N 322.409 -0.026 30 20 DBED CN(CC(=O)NCC#N)[C@@H]1CCN(C(=O)CCc2cnc[nH]2)C1 1190548112 VDKWOHPUAQUYFX-CYBMUJFWSA-N 318.381 -0.485 30 20 DBED COCC1(C(=O)N2CC[C@@H](N(C)CC(=O)NCC#N)C2)CCC1 1191415683 YDSXBWBEWQEDTB-CYBMUJFWSA-N 322.409 -0.024 30 20 DBED CC(C)N(C(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H](C)C#N)C1)C(C)C 1191864287 NAVLOLBUUPLWGC-MGPQQGTHSA-N 324.425 -0.047 30 20 DBED COCC#CCN(C)[C@H]1CCN(C(=O)c2cn(C)c(O)n2)C1 1192152761 IWUGLODEOQIZJE-LBPRGKRZSA-N 306.366 -0.078 30 20 DBED C#CCCCC(=O)N[C@@H]1CN([C@H](C)c2nnnn2C)C[C@H]1O 1192503986 SOMDTAQXUSELJZ-IJLUTSLNSA-N 306.370 -0.764 30 20 DBED C=CCn1cccc1C(=O)N[C@@H]1CN(CC(=O)NCC)C[C@H]1O 1193782357 XUWKMEAXHCJMHQ-TZMCWYRMSA-N 320.393 -0.415 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H](C)C(C)(C)C)C1 1194136239 HHAXJOVNGVOUBW-YNEHKIRRSA-N 309.410 -0.421 30 20 DBED C=C[C@@H](CC)CC(=O)N[C@@H]1CN(CC(=O)N2CCC2)C[C@H]1O 1195554978 UZARVDWNTNTLMZ-BFHYXJOUSA-N 309.410 -0.018 30 20 DBED CO[C@H]1CC[C@@H](C(=O)N2CCCN(CC(=O)NCC#N)CC2)C1 1196376684 VJVYCQOTTAGART-KGLIPLIRSA-N 322.409 -0.024 30 20 DBED C=CCCCN1C[C@@H](O)[C@H](NC(=O)[C@H](C)NS(C)(=O)=O)C1 1196421318 LYQFOUTVKCLGOB-QJPTWQEYSA-N 319.427 -0.948 30 20 DBED COCC#CCN1CCCN(C(=O)[C@@H]2CCN(C)C2=O)CC1 1196830205 IWFJRLFLQMSBGR-CQSZACIVSA-N 307.394 -0.351 30 20 DBED C#CCN1CCCN(C(=O)CCNC(=O)[C@@H]2CCCO2)CC1 1198385498 KBHPQXRXSJHXSD-AWEZNQCLSA-N 307.394 -0.161 30 20 DBED COc1ccccc1[C@H](CNC(=O)Cn1ncnn1)NCC#N 1198732609 QCDLXCTVLCVXTH-LBPRGKRZSA-N 315.337 -0.348 30 20 DBED C#CCNC(=O)[C@H](C)NC1CCN(C(=O)[C@H]2COCCO2)CC1 1199401070 RCOFYMZDIRDNBK-GXTWGEPZSA-N 323.393 -0.880 30 20 DBED C#CCNC[C@H]1CN(C(=O)[C@H]2CCCN(C(N)=O)C2)CCCO1 1200911249 LWZGYSGJROCVLX-KBPBESRZSA-N 322.409 -0.383 30 20 DBED C=CCCNC[C@@H]1CN(C(=O)C2CC(=O)NC(=O)C2)CCCO1 1201629151 CNQWDRPCODEBRV-CYBMUJFWSA-N 323.393 -0.178 30 20 DBED COCC#CCNC1CCN(C(=O)C[C@H]2CCC(=O)N2)CC1 1202896320 QFZJMRWCKSVPPE-CQSZACIVSA-N 307.394 -0.115 30 20 DBED C#CCCN[C@H]1C[C@H]2CC[C@H]1N(C(=O)CN1CC(=O)NC1=O)C2 1204797838 BAQBTIRKMRBXRD-FRRDWIJNSA-N 318.377 -0.469 30 20 DBED C=CCNC(=O)CNCC1CCN(C(=O)[C@H]2COC(=O)N2)CC1 1205146307 HUUSWUYFRXFBAS-GFCCVEGCSA-N 324.381 -0.775 30 20 DBED C#CCCNCC1CCN(C(=O)CNS(=O)(=O)CC)CC1 1205415598 CSNAXCPTXQXSMI-UHFFFAOYSA-N 315.439 -0.223 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)CCC(=O)NCC)[C@H](C)C1 1206558456 CCRZHGMZGRNGRS-CHWSQXEVSA-N 324.425 -0.359 30 20 DBED CNC(=O)NC(=O)[C@@H](C)N1C[C@@H](NC(=O)C#CC(C)C)[C@H](C)C1 1206939588 MIFHEVUCFPEEBY-JHJVBQTASA-N 322.409 -0.074 30 20 DBED C#CCCN1C[C@@H](NC(=O)[C@H](NC(C)=O)C(C)C)[C@H](OC)C1 1213755994 MBLVILYKVGKLFF-RBSFLKMASA-N 309.410 -0.014 30 20 DBED CC[C@H](C)CC(=O)N1CCO[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1217736230 CTWPGZBCAMDIIO-MELADBBJSA-N 322.409 -0.026 30 20 DBED C#CCCCC(=O)N1CCO[C@@H]2CN(C[C@@H](O)COC)C[C@@H]21 1217758708 REROUSHKSZADFG-QLFBSQMISA-N 310.394 -0.291 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2cc(C)ncn2)C[C@@H]1O 1219609421 QBCHKSSAERBVFL-CABCVRRESA-N 318.377 -0.514 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C2C=CC=CC=C2)C1 1219711403 ZAPHYLAGTPZMCW-CABCVRRESA-N 315.373 -0.805 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)COCc2nncn2C)C1 1220661435 RBMYABBUYUOMPX-NEPJUHHUSA-N 309.370 -0.931 30 20 DBED COCC#CCN1CC[C@@H]2CN(C(=O)[C@@H](C)CC(N)=O)[C@@H]2C1 1221736918 ILXQBOHVVNAQMD-BFHYXJOUSA-N 307.394 -0.320 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC(CNC(=O)[C@@H]2CCOC2)CC1 1222550632 GMJBBAYNIMANNU-DZGCQCFKSA-N 321.421 -0.011 30 20 DBED CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCC#N 1224657991 IETFRXUSUZUOFN-CYZMBNFOSA-N 323.397 -0.832 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCOC1 1225201551 DIJGWSCEHAPNGP-BFHYXJOUSA-N 307.394 -0.211 30 20 DBED CC#CCN1CCC(NC(=O)CC[C@@H]2NC(=O)NC2=O)CC1 1230226495 RGTRTUCUGXTBRU-LBPRGKRZSA-N 306.366 -0.422 30 20 DBED C[C@H](O)C[C@@H]1COCCN1C(=O)C(=O)NCC1(CC#N)CC1 1256791922 MFCOEZBAKJGIKP-NWDGAFQWSA-N 309.366 -0.205 30 20 DBED C#CCSCC(=O)OCC(=O)N[C@@H]1CCS(=O)(=O)C1 1262076873 JWDGSIZRBVJYAF-SECBINFHSA-N 305.377 -0.801 30 20 DBED C=CCNC(=O)[C@H](C)N1CCC[C@H](NC(=O)c2nnn(C)n2)C1 1268216694 NHFQUXOQDFFUOX-QWRGUYRKSA-N 321.385 -0.905 30 20 DBED COCC(=O)NCCC(=O)OCC(=O)N[C@](C)(C#N)C1CC1 1317848370 ILRUYUMTJVBJOS-CQSZACIVSA-N 311.338 -0.509 30 20 DBED C#CCOc1ccccc1NC(=O)C(=O)NN1CC(=O)NC1=O 1322982475 XVONYNCNUBQFBZ-UHFFFAOYSA-N 316.273 -0.780 30 20 DBED C=C(C)COCCNC(=O)C(=O)NCc1ccnc(N(C)C)n1 1323504644 FMZJIOUZNVSYMY-UHFFFAOYSA-N 321.381 -0.132 30 20 DBED C=CCCOCCNC(=O)C(=O)N1C[C@H](OC)[C@H](OC)C1 1325300141 FZWGVRIXTKGOJZ-TXEJJXNPSA-N 300.355 -0.433 30 20 DBED C[C@H](COCC1CC1)NC(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1327036707 BAKNPTMMJKMYEW-ABAIWWIYSA-N 309.366 -0.205 30 20 DBED C=CCN(C(=O)C(=O)N(C)Cc1cn(C)nn1)[C@H](C)COC 1328281477 LBLLIMOPGNXJDT-LLVKDONJSA-N 309.370 -0.177 30 20 DBED C#CCN1CCC[C@H](NC(=O)C(=O)Nc2cncc(OC)n2)C1 1331377948 JIVSVJZFMARNEB-NSHDSACASA-N 317.349 -0.363 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1C 1334706715 UYZVUVMYXHGWKR-NWDGAFQWSA-N 310.375 -0.979 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)NCc2ncccn2)CCN1C1CC1 1335859291 SQTQZLRRSWSKLL-LBPRGKRZSA-N 314.349 -0.708 30 20 DBED CNC(=O)[C@@]1(C)CCN(C(=O)C(=O)N2CCC[C@@H](C#N)C2)C1 1336466476 WUEHPIMCFCCYLQ-NHYWBVRUSA-N 306.366 -0.267 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N[C@@H]1CCO[C@]2(CCOC2)C1 1342865502 PLSREEAYMNPDPG-LALPHHSUSA-N 312.366 -0.242 30 20 DBED C[C@@]1(CNC(=O)C(=O)Nc2cccc(C#N)n2)CCC(=O)N1 1349139982 XWHVNEIMUPKFHK-AWEZNQCLSA-N 301.306 -0.323 30 20 DBED CCCOC(=O)CCNC(=O)Cn1cc(C#N)c(O)nc1=O 1362066759 PQPINIBOCMVURM-UHFFFAOYSA-N 308.294 -0.720 30 20 DBED N#Cc1cc(CNC(=O)c2ccc(S(N)(=O)=O)nc2)ccn1 1362419880 NLIPTJGSNISRPX-UHFFFAOYSA-N 317.330 -0.074 30 20 DBED Cn1cc(C#N)c(=O)n(Cc2ccc(S(C)(=O)=O)o2)c1=O 1363763991 QXPBBQDCAKJRGS-UHFFFAOYSA-N 309.303 -0.537 30 20 DBED C=C(Cl)CNC1(CNC(=O)[C@@H](C)NS(C)(=O)=O)CC1 1368018788 GSQOPESLFIRTPI-SECBINFHSA-N 309.819 -0.085 30 20 DBED Cc1nonc1CC(=O)N(C)C[C@H](O)CNC(=O)[C@H](C)C#N 1371031262 MNDGMEDJVNEHMP-PSASIEDQSA-N 309.326 -0.984 30 20 DBED C[C@@H](C#N)C(=O)NCC1CN(C(=O)[C@H]2CCCCN2C(N)=O)C1 1374898638 KITRTEVOYZQOEB-CMPLNLGQSA-N 321.381 -0.346 30 20 DBED C=C(Cl)CN[C@H](C)CN(C)C(=O)CN1CCNC(=O)C1 1379198953 OIZZUIJUJMWMPZ-LLVKDONJSA-N 302.806 -0.393 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)COCc2nncn2C)C1 1385884477 GPPGLFYTOPIEJJ-QWRGUYRKSA-N 320.353 -0.792 30 20 DBED CCN(C(=O)CNC(=O)NC)[C@H]1CCN(C(=O)[C@H](C)C#N)C1 1409208500 JUKJVWPUHQYUPV-MNOVXSKESA-N 309.370 -0.476 30 20 DBED CC[C@H](CNC(=O)CCS(=O)(=O)NC)NC(=O)[C@@H](C)C#N 1409265727 BQROCECFZDNMMD-VHSXEESVSA-N 318.399 -0.904 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1c(C2CC2)cnn1C 1410158619 XHCNDWYYHRPGFC-MWLCHTKSSA-N 319.365 -0.336 30 20 DBED C[C@H](CCN(C)C)NC(=O)NCCn1cc(C#N)c(O)nc1=O 1414545973 MAWAOSABFNDQQH-SNVBAGLBSA-N 322.369 -0.540 30 20 DBED Cc1c(C#N)c(=O)n(CC(=O)NC[C@@H]2CCCO2)c(=O)n1C 1421443580 XQYMDLARXIIGPO-JTQLQIEISA-N 306.322 -0.978 30 20 DBED C[C@H](C#N)C(=O)N1CC([C@@H](C)NC(=O)CS(C)(=O)=O)C1 1424473777 MFWVQJJAPVTWCK-RKDXNWHRSA-N 301.368 -0.846 30 20 DBED COC[C@H](O)CN[C@H](CNC(=O)c1cc(C#N)c[nH]1)C1CC1 1436784854 VXTBSNWMGHBHIM-TZMCWYRMSA-N 306.366 -0.008 30 20 DBED CN(CCNC(=O)c1cnn(C)n1)C(=O)c1cc(C#N)c[nH]1 1449038262 RVIOMLQJTQGZPA-UHFFFAOYSA-N 301.310 -0.483 30 20 DBED CC[C@@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)CNC(=O)OC 1456739730 CLKYXAJHANXOFJ-JTQLQIEISA-N 321.337 -0.133 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N(CC(N)=O)C1CCOCC1 1475630051 NIQVSYFDNRFRCY-JTQLQIEISA-N 318.399 -0.711 30 20 DBED CC[C@@H](CNC(=O)CNC(=O)NC)NC(=O)c1c[nH]c(C#N)c1 1499140878 LPKWOOXMGGVLBU-JTQLQIEISA-N 320.353 -0.560 30 20 DBED C[C@H](C#N)C(=O)NC1CC2(CC(NC(=O)[C@@H]3COC(=O)N3)C2)C1 1522482008 NROHZUALKCJLEE-JKDCKHKBSA-N 320.349 -0.202 30 20 DBED C=C1CC(C)(C(=O)N2C[C@@H](O)[C@H](NC(=O)CNC(=O)O)C2)C1 1573344055 MYBUIHNYPHMTMW-NXEZZACHSA-N 311.338 -0.702 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)N(C2CNC2)C1 1574834827 GNSITNRCNCQBLM-DGCLKSJQSA-N 308.382 -0.854 30 20 DBED N#Cc1ccc(NCC(=O)NCCCN2CCNCC2)nc1 1580070328 VJBYZXUHGNDITF-UHFFFAOYSA-N 302.382 -0.223 30 20 DBED C=C(C)C[C@H](NS(=O)(=O)C[C@@H]1CN(C)CCO1)C(=O)O 1588553990 WYQCBPCWOQFGSW-QWRGUYRKSA-N 306.384 -0.344 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)Nc1cnn(C(C)(C)C(=O)O)c1 1588692976 OAQDOHDGVJURQW-VIFPVBQESA-N 324.337 -0.042 30 20 DBED C[C@@H](CS(=O)(=O)N1CCC(C#CC(=O)O)CC1)C(=O)O 1592789029 AVYHDWASEZNXSA-VIFPVBQESA-N 303.336 -0.163 30 20 DBED Cc1nc(O)c(C#N)c(C)c1CCC(=O)N1CC(O)(C(=O)O)C1 1599940029 CJHJFOXOFIWLLB-UHFFFAOYSA-N 319.317 -0.134 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N[C@H]2CC[C@@H](CC(=O)O)C2)CCO1 1601063133 OLCPPXHEJJSZDW-OUAUKWLOSA-N 317.367 -0.311 30 20 DBED O=C(O)CCN1CCC(=NN=c2nc3[nH][nH]cc-3c(O)n2)CC1 1602009404 GCJKEZNGVQPFKF-UHFFFAOYSA-N 319.325 -0.230 30 20 DBED COCCOC[C@H](C)Nc1cnc(-c2nn[nH]n2)c(C#N)n1 1605109672 PKVUFYLRAFLBJD-QMMMGPOBSA-N 304.314 -0.008 30 20 DBED N#CCC(=O)N1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 1606346040 UTTHDDDXUCVKNS-UHFFFAOYSA-N 314.309 -0.607 30 20 DBED CS(=O)(=O)Cc1nc(C(=O)N(CC#N)CCC(=O)O)co1 1607370295 BTFXENWARFUIIU-UHFFFAOYSA-N 315.307 -0.340 30 20 DBED N#Cc1ccc(S(=O)(=O)N2CCCN(C(N)=O)CC2)cn1 1645544662 VHMAAUUJNZWHOF-UHFFFAOYSA-N 309.351 -0.272 30 20 DBED CCCNC(=O)NC(=O)CN(C)CCCNC(=O)[C@H](C)C#N 1751953706 XGHPSIQVLVVQJJ-LLVKDONJSA-N 311.386 -0.180 30 20 DBED COCC#CCN(C)CCCNC(=O)[C@H]1CCc2nncn2C1 1752122440 YWVAJGMVORAWCL-AWEZNQCLSA-N 319.409 -0.072 30 20 DBED C=CCNC(=O)CNC[C@](C)(NC(=O)[C@H]1CCNC1=O)C1CC1 1753521555 QOTOUNOBQSJFGI-LRDDRELGSA-N 322.409 -0.701 30 20 DBED C#CCN[C@@H](C)[C@H]1CCCN(C(=O)CCNC(=O)COC)C1 1753793142 CYRWSRHQLWERFK-KBPBESRZSA-N 309.410 -0.011 30 20 DBED COCC#CCN(C)CCN(C)C(=O)c1cccc(C(N)=O)n1 1753870140 QYFHJOVFZVSMGL-UHFFFAOYSA-N 318.377 -0.166 30 20 DBED C#CCNC(=O)CNCC[C@@H](C)NC(=O)[C@@]1(C)CCNC(=O)C1 1753975458 GBYLQAIYVGZRDH-WBMJQRKESA-N 322.409 -0.864 30 20 DBED C[C@H](CNCC#Cc1ccc(F)cc1)NC(=O)Cn1cnnn1 1754217480 OEEQPBTXCORYFN-GFCCVEGCSA-N 316.340 -0.042 30 20 DBED C=CCNC(=O)CN1CC[C@H]1CNC(=O)Cc1n[nH]c(C)n1 1754483582 KPQPTVISZOSVTO-NSHDSACASA-N 306.370 -0.852 30 20 DBED C=CCNC(=O)CN1CC(O)(CNC(=O)c2c[nH]cc2C)C1 1754778951 JTMWPBGURFMUIE-UHFFFAOYSA-N 306.366 -0.598 30 20 DBED N#CCN1CC(O)(CNC(=O)c2cc3c(nc2O)CCC3)C1 1754779892 UPIVPRQGKCOLGB-UHFFFAOYSA-N 302.334 -0.424 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)c2cnnn2C)C[C@@H]1C 1755160820 RPMIFWZNKOYMGS-NWDGAFQWSA-N 320.397 -0.300 30 20 DBED C=CCCN1CC([C@H](C)NC(=O)Cn2ccc(=O)n(C)c2=O)C1 1755379107 MGIORSQCNOQSEX-LBPRGKRZSA-N 320.393 -0.440 30 20 DBED C=CCNC[C@@H]1CC[C@H](NC(=O)CN2CCN(C)C(=O)C2)C1 1755737192 GFDAISVHAIMFDD-KGLIPLIRSA-N 308.426 -0.179 30 20 DBED CC(=O)Nc1cccnc1C(=O)N(C)C[C@@H](O)CNCC#N 1755780208 APXCIFDCFZJZLC-NSHDSACASA-N 305.338 -0.414 30 20 DBED C=CCOCCCC(=O)NC[C@H]1[C@@H]2CN(C(=O)C(N)=O)C[C@H]12 1756196381 JRUWEUFLHBXWPX-CNDDSTCGSA-N 309.366 -0.725 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H](C)CN(C)C(=O)C1=COCCO1 1756427505 LKMLZKWXKVLGSD-VXGBXAGGSA-N 310.350 -0.124 30 20 DBED C=C[C@@H](CC)CC(=O)N[C@@H](CO)CNC(=O)c1cnn(C)n1 1756536653 PRGFFJDAPBHYEP-WDEREUQCSA-N 309.370 -0.376 30 20 DBED C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CNC(C)=O)C1 1781765701 HBTMEBRGRKSUNI-CZUORRHYSA-N 321.377 -0.730 30 20 DBED CC[C@H](NC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC#N 1795418493 ACGWCANYTSRFPM-XFMPKHEZSA-N 322.409 -0.122 30 20 DBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cn[nH]c3)C2)C1 1839808383 PKDNRWOYFGQNGY-OAHLLOKOSA-N 318.333 -0.887 30 20 DBED N#CCNC(=O)CN1CC[C@H](S(=O)(=O)N2CCCC2)C1 135738883 QBEMJJQLBMBWSC-NSHDSACASA-N 300.384 -0.874 30 20 DBED C=CCNC(=O)CNC(=O)CNC(=O)Cc1cccc(F)c1 181629046 LLBQTTPFFCDKLF-UHFFFAOYSA-N 307.325 -0.097 30 20 DBED CC/N=C(/NCCN1C(=O)CNC1=O)N1CC[C@]2(CCOC2)C1 261983382 PKMYJOOZFMXEBQ-HNNXBMFYSA-N 323.397 -0.384 30 20 DBED COc1ccc(CCN/C(N)=N/CCN2C(=O)CNC2=O)cc1 267454491 SKUDHFJPZQRWLC-UHFFFAOYSA-N 319.365 -0.306 30 20 DBED COC(=O)c1coc(S(=O)(=O)N2CCOC[C@H]2C#N)c1 269997706 IEJHJMCAFWGPQQ-SECBINFHSA-N 300.292 -0.021 30 20 DBED CNS(=O)(=O)CCNC(=O)C#Cc1ccc2c(c1)OCO2 275876661 LGYPXPLSCWQQHX-UHFFFAOYSA-N 310.331 -0.568 30 20 DBED C#CCNC(=O)CCN1C[C@@H](C(=O)NCCOC)CC[C@H]1C 293386858 GPJBXCFNRGNHAT-KGLIPLIRSA-N 309.410 -0.011 30 20 DBED C=CCSCCNC(=O)C1CCN(S(N)(=O)=O)CC1 299293681 HWQHVQXUEAQLQI-UHFFFAOYSA-N 307.441 -0.063 30 20 DBED CN1C(=O)C[C@H](C(=O)N2CCO[C@H](C#N)C2)[C@H]1c1ccnn1C 328828176 SXAKKROKXXKXPY-SUNKGSAMSA-N 317.349 -0.310 30 20 DBED CN1C(=O)CC[C@@H]1/C(O)=N/[C@@H]1CCCN(S(C)(=O)=O)C1 329242109 OAVNBEWTPSVUJJ-NXEZZACHSA-N 303.384 -0.012 30 20 DBED C[C@@H]1CCCN(CC/N=C(/O)NCCN2C(=O)CN=C2O)C1 329564291 SGHGUCYOTIRTLB-LLVKDONJSA-N 311.386 -0.022 30 20 DBED CS(=O)(=O)N1CCN(C/C(O)=N/[C@@H]2CCCOC2)CC1 329900339 NQQQQZSXAIZWNT-LLVKDONJSA-N 305.400 -0.301 30 20 DBED NS(=O)(=O)c1cc(/C(O)=N/CCN2CCOCC2)co1 330484270 XCSNUDYTAKOYRD-UHFFFAOYSA-N 303.340 -0.436 30 20 DBED Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NCCC#N 331173630 GDDGMZVVUFMLKZ-SECBINFHSA-N 313.383 -0.266 30 20 DBED COC(=O)[C@@H]1[C@@H](O)CCCN1C(=O)Cc1noc(C)c1C#N 331290732 PGXHQTHMYCWFHK-AAEUAGOBSA-N 307.306 -0.078 30 20 DBED CN(CC(=O)N1CC(C)(O)C1)S(=O)(=O)c1ccc(C#N)cc1 331850194 IJQIKHODCLDWNZ-UHFFFAOYSA-N 323.374 -0.228 30 20 DBED COC(=O)CN(CC#N)CC(=O)Nc1cccc(C(=O)OC)n1 346441716 VVKGQHVNPOMVRX-UHFFFAOYSA-N 320.305 -0.195 30 20 DBED COC(=O)Cn1ccc(=NC(=O)N=c2ccn(CCC#N)[nH]2)[nH]1 347533542 XENMPHOTDBDARJ-UHFFFAOYSA-N 317.309 -0.346 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N[C@H]1CCN(C(C)C)C1=O 349227349 UWBQOJKAIZISOM-LBPRGKRZSA-N 311.382 -0.227 30 20 DBED N#CC1(CN2CCN(C(=O)C(=O)N3CCOCC3)CC2)CC1 408110864 WGCAKPDWVPVMIT-UHFFFAOYSA-N 306.366 -0.707 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N1C[C@H](C)O[C@@H](CO)C1 410908657 IVWNVZBHXCWSFQ-NWDGAFQWSA-N 300.355 -0.744 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC2CCC(N)CC2)C1=O 428974202 HVPKOUKLXSRIRT-UHFFFAOYSA-N 308.338 -0.651 30 20 DBED C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NC1(C#N)CC1 530283874 LPPUOSOCOALROD-ZDUSSCGKSA-N 320.349 -0.226 30 20 DBED CC(=O)N[C@@H]1CCCN(C(=O)Cn2cc(C#N)ccc2=O)C1 565242773 SESDYHOBSINUER-CYBMUJFWSA-N 302.334 -0.153 30 20 DBED C[C@@H](NC(=O)C(=O)N1CCNC(=O)C1)c1cccc(C#N)c1 587674371 MEGJCFBOZHYRAP-SNVBAGLBSA-N 300.318 -0.306 30 20 DBED C[C@@H](NC(=O)NCCn1cnc(C#N)n1)[C@H]1CN(C)CCO1 588167406 KWOUACMZXPSGRN-GHMZBOCLSA-N 307.358 -0.832 30 20 DBED CC(C)(CNC(=O)N1CC[C@](O)(CC#N)C1)NS(C)(=O)=O 591956644 ZQJJSMJWOTVLDY-GFCCVEGCSA-N 318.399 -0.626 30 20 DBED CCNC(=O)N1CC[C@H](NC(=O)N2CC[C@@](O)(CC#N)C2)C1 591988185 PQQCAYIIQCTEHG-FZMZJTMJSA-N 309.370 -0.150 30 20 DBED N#C[C@H](CO)NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 597749448 KNNZIMCRJFZZAB-MRVPVSSYSA-N 320.261 -0.679 30 20 DBED Cn1ccc(=O)n(CCCNC(=O)c2cnccc2C#N)c1=O 599844516 GLNSWXDFSDMXMO-UHFFFAOYSA-N 313.317 -0.366 30 20 DBED COCCN(C)CCN1C[C@H](Nc2cncc(C#N)n2)CC1=O 601177857 BGECMXAXALUUOL-GFCCVEGCSA-N 318.381 -0.061 30 20 DBED C=C[C@](C)(O)C(=O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 613974591 ODCGBFVHSCPHNB-LBPRGKRZSA-N 314.367 -0.820 30 20 DBED C=CCOCCNS(=O)(=O)C[C@H]1CCCS(=O)(=O)C1 660085773 VMRZNTIPODQVTC-NSHDSACASA-N 311.425 -0.067 30 20 DBED CN(CC(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[nH]1)C(=O)C1CC1 736786613 AMLGWAABIKRAPW-UHFFFAOYSA-N 315.297 -0.732 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCOCCS(C)(=O)=O 741719222 QAPVPUBSKXUWPR-LBPRGKRZSA-N 302.396 -0.739 30 20 DBED CN(C)c1ccc(NC(=O)Cn2cnc(C#N)n2)c(C(N)=O)c1 775810224 JMXFSMJOTGEMLP-UHFFFAOYSA-N 313.321 -0.047 30 20 DBED N#CCCN(CCC#N)C(=O)COC(=O)CN1CCOCC1 778843315 MPXUYFRRRAGYBP-UHFFFAOYSA-N 308.338 -0.482 30 20 DBED CCOCCN(C)C(=O)C(=O)NCCNc1ncccc1C#N 787761213 YJJMIZXHLOENIM-UHFFFAOYSA-N 319.365 -0.024 30 20 DBED Cc1ccn(C[C@@](C)(O)C(=O)OCC(=O)NCCC#N)c(=O)c1 790701092 VRWBWJMEMSBXBV-OAHLLOKOSA-N 321.333 -0.519 30 20 DBED C#CCC[C@H](O)CNC(=O)CNS(=O)(=O)CCOC(C)C 799074567 LMODIUZMPUPHGE-LBPRGKRZSA-N 320.411 -0.779 30 20 DBED C#CCCCNC(=O)C(=O)N[C@@H](CC)C(=O)N1CCOCC1 806915919 QWCPJCHKRMEEMH-LBPRGKRZSA-N 309.366 -0.730 30 20 DBED O=C1NC(=O)C(=NNc2cncc(Br)c2)C(=O)N1 814224632 KTRXVAWUQDZYPR-UHFFFAOYSA-N 312.083 -0.022 30 20 DBED CNC(=O)CNC(=S)NN=C1C[C@H]2C[C@@H](C(=O)OC)[C@H]1C2 817325767 FSKKMFPGCSFOBU-IWSPIJDZSA-N 312.395 -0.228 30 20 DBED C#Cc1cccc(CNC(=O)C(=O)N2C[C@@H](C)O[C@@H](CO)C2)c1 817845453 GFMOAKJEKKTIIV-IUODEOHRSA-N 316.357 -0.108 30 20 DBED C=CCn1cc(CNC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)nn1 819607067 YIEYAXAJMKRELL-SNVBAGLBSA-N 315.337 -0.144 30 20 DBED CCOC(=O)COCCN/C(=N/C)NCCN1CCOCC1 849036534 SJPPVUOXHSPYDE-UHFFFAOYSA-N 316.402 -0.937 30 20 DBED C#CCNS(=O)(=O)N1CCN([C@H]2CC[C@H](OC)C2)CC1 851873525 CCUVFXNFCUFDHV-STQMWFEESA-N 301.412 -0.361 30 20 DBED C#C[C@](C)(CC)NC(=O)CNS(=O)(=O)c1cn(C)c(C)n1 854696490 GMSHIMGCOBOVQK-CYBMUJFWSA-N 312.395 -0.075 30 20 DBED C=C[C@](C)(O)C(=O)NCCCN(OC)C(=O)[C@@](C)(O)C=C 856013921 BITCXDINJXOYQM-KBPBESRZSA-N 300.355 -0.243 30 20 DBED COC(=O)CNC(=O)[C@@H](C)OC(=O)c1cccc(C#CCO)c1 860078408 ISAXQPIBJUJILH-LLVKDONJSA-N 319.313 -0.135 30 20 DBED CC(C)[C@H](NC=O)C(=O)OCC(=O)N(CCC#N)CCC#N 860380222 ZMLJHFSIYDWBOO-ZDUSSCGKSA-N 308.338 -0.044 30 20 DBED C#CC1(O)CN(C(=O)c2nc3ncc(Br)cn3n2)C1 890521600 LORLLAKCLNGBJR-UHFFFAOYSA-N 322.122 -0.293 30 20 DBED C#CC1(O)CN(C(=O)NCc2cccnc2N2CCOCC2)C1 891846145 IXIDMDYYPZJMKC-UHFFFAOYSA-N 316.361 -0.192 30 20 DBED CN1CCNC[C@@H]1C(=O)N1CCN(c2cc(C#N)ccn2)CC1 911634434 BOSGRYGMJFCKLP-CQSZACIVSA-N 314.393 -0.495 30 20 DBED C=CCNC(=O)[C@H](C#N)C(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O 916921460 SXVJVFNFCQPJFJ-MEBBXXQBSA-N 318.333 -0.282 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(O)nn1 936292331 KRTRGLUGJNCXDU-UTLUCORTSA-N 301.306 -0.233 30 20 DBED Cn1cc(C(=O)N[C@H]2CCN(C(=O)C#CC3CC3)C2)n(C)c1=O 938138856 WNYAPMFRSYCTLV-LBPRGKRZSA-N 316.361 -0.532 30 20 DBED C#Cc1ccccc1CC(=O)N(C)[C@H]1CCN(C(=O)C(N)=O)C1 939368836 CCGADKAFAPIQSP-AWEZNQCLSA-N 313.357 -0.245 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)c2cc(=O)n(C)o2)C1 944572089 VHKBMGIKJGQDFI-ZJUUUORDSA-N 322.321 -0.905 30 20 DBED C[C@H]1C[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)CCN1CC#N 948011230 GWTOLMFMVDBCHA-QWRGUYRKSA-N 307.354 -0.627 30 20 DBED O=C1NCCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)C#CC1CC1 950496511 IEWSQRWESBTQCV-QWHCGFSZSA-N 303.362 -0.357 30 20 DBED C#Cc1ccc(C(=O)N2CCC[C@@H](NC(=O)C(N)=O)C2)cn1 951494969 SZMJKAXFESVLOJ-GFCCVEGCSA-N 300.318 -0.731 30 20 DBED CC(=O)N1CC[C@H](C(=O)NC[C@@H]2CCN2C(=O)C#CC2CC2)C1 951527579 VPQUITKVUBYEOS-GJZGRUSLSA-N 317.389 -0.015 30 20 DBED C=CCn1cc(C(=O)N2CCN(Cc3nc(O)n[nH]3)CC2)nn1 951559962 ZIIGKUKXQJFMCO-UHFFFAOYSA-N 318.341 -0.754 30 20 DBED C#Cc1cncc(C(=O)N[C@@]2(C)CCN(C(=O)C(N)=O)C2)c1 957535082 GJGVKQUXKYTZEM-HNNXBMFYSA-N 300.318 -0.731 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2cc(O)nc(C3CC3)n2)C1 958155276 BYIALRXKZVQNJV-DGCLKSJQSA-N 316.361 -0.285 30 20 DBED CC#CCN1C[C@@H](O)[C@@H](CNC(=O)c2ncc(OC)cn2)C1 958244627 VHVGYQBOPQBQLG-WCQYABFASA-N 304.350 -0.469 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2ncoc2-c2ccon2)C1 958595627 SSAQJBYHKDKROY-ZYHUDNBSSA-N 316.317 -0.015 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H]2CN(C(=O)c3cn[nH]c3)C[C@@H]21 960885322 YGGPYOOZTJQEEB-ZMLRMANQSA-N 303.322 -0.379 30 20 DBED CC#CCN1CC[C@@H](C)[C@H](NC(=O)CN2C(=O)CNC2=O)C1 968626598 BABIAFGCBLFYOF-VXGBXAGGSA-N 306.366 -0.612 30 20 DBED C=CCN1CCO[C@]2(CCN(C(=O)C[C@@H]3CC(=O)NC3=O)C2)C1 972705110 QODQYVBWEVBIAT-BLLLJJGKSA-N 321.377 -0.472 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)Cc3cnn(C)c3)[C@H]2C1 976244387 JOESHTBHVXKIIP-WUWHUORYSA-N 301.350 -0.305 30 20 DBED CN1CCOC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)C#CC2CC2)C1 982742157 LMHQEQZDCCFHSK-GJZGRUSLSA-N 319.405 -0.305 30 20 DBED C=CCCN1CCC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@@H]1C 993330743 DQWNAQQDSGQJAW-RYUDHWBXSA-N 320.397 -0.078 30 20 DBED C=C(C)CNC1CC(N(C)C(=O)Cn2cnc(C(N)=O)n2)C1 998795565 ZQWHBURBBNEMOT-UHFFFAOYSA-N 306.370 -0.468 30 20 DBED C#Cc1ccc(C(=O)N2CC(CNC(=O)c3cnnn3C)C2)cn1 1001661725 IOXCJQWXMBTCSA-UHFFFAOYSA-N 324.344 -0.307 30 20 DBED CC(C)N1C[C@@H](C(=O)NCC2CN(C(=O)[C@H](C)C#N)C2)CC1=O 1002443333 PUGGZXMHELJGLQ-YPMHNXCESA-N 320.393 -0.022 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCC1CN(C(=O)c2ccon2)C1 1002830445 RZLOWLRFXWEWEK-AWEZNQCLSA-N 316.361 -0.040 30 20 DBED CC#CCN1CCC(NC(=O)CN2C(=O)NC(=O)C2(C)C)CC1 1003908110 YXSRXDCGOBPIJW-UHFFFAOYSA-N 320.393 -0.079 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CC[C@H]1CN2C(=O)c1cnnn1C 1007293882 IOEZIBPKWYUQKD-OUAUKWLOSA-N 302.338 -0.210 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CCN([C@H]3CCC(=O)NC3=O)C2)c1 1010476604 HOVLOLKRPKAXAF-PWSUYJOCSA-N 315.333 -0.504 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C(=O)[C@H]2CCc3nn[nH]c3C2)CC1 1011635071 DZFWVNYNLIZLFA-QWRGUYRKSA-N 316.365 -0.260 30 20 DBED C[C@H]1[C@@H](NC(=O)Cn2ncnn2)CCN1C(=O)C#CC1CC1 1011746396 MLDMFJMUZQYZHT-JQWIXIFHSA-N 302.338 -0.808 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2ccc(=O)n(CCOC)c2)C1 1015085812 BMERQAGEQBFLPI-CQSZACIVSA-N 303.362 -0.068 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCN(C(=O)c3cnc(O)n3C)C2)C1 1019364355 CNMUGOVUDDWULP-JTQLQIEISA-N 317.349 -0.040 30 20 DBED C#CCN[C@H]1C[C@@H](NC(=O)c2cnc3c(c2)NC(=O)CO3)C1 1022374613 JGHBKGCNTGGIRM-PHIMTYICSA-N 300.318 -0.104 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]2CN(C(=O)CN3CCOCC3)C[C@H]21 1022564242 HOVWNVPKCAGNCA-HZSPNIEDSA-N 320.393 -0.462 30 20 DBED C=CCCn1cc(C(=O)N[C@H]2C[C@@H](N[C@@H](C)C(N)=O)C2)nn1 1022836008 QASVRONENFAZIO-GARJFASQSA-N 306.370 -0.422 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 1023428606 CZWXISPSRKULHD-XXILOJSOSA-N 301.306 -0.652 30 20 DBED N#CCN1CCC[C@H](CNC(=O)[C@@H]2CCS(=O)(=O)N2)C1 1023753785 OOXUWFQQMXIIDU-MNOVXSKESA-N 300.384 -0.970 30 20 DBED Cc1ccoc1CC(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1O 1025526155 JWONIVHMCIVQHN-QJPTWQEYSA-N 305.334 -0.022 30 20 DBED N#CCN[C@@H]1CC[C@@H]2CN(C(=O)CN3CCOCC3=O)C[C@@H]21 1026285611 PPMIUGIPIKBEOA-FRRDWIJNSA-N 306.366 -0.805 30 20 DBED C=CCn1cc(C(=O)NC2CN(Cc3n[nH]c(C)n3)C2)nn1 1031070331 YNIOWTYMGYYXOI-UHFFFAOYSA-N 302.342 -0.495 30 20 DBED C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)Cn1cnc(C(N)=O)n1 1032413969 WJNUYPJCCGBOIN-RYUDHWBXSA-N 318.381 -0.372 30 20 DBED C#CCN1CC[C@H](N(CC)C(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 1033905228 GKNSJYOXOFJEBM-JSGCOSHPSA-N 315.377 -0.079 30 20 DBED CC#CCN1CCCC[C@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 1034530258 BTMRMUAPBJRAIZ-STQMWFEESA-N 313.423 -0.328 30 20 DBED C#CCN[C@H]1CC[C@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)CC1 1034749678 VDUTZVVWHUZGMV-XYPYZODXSA-N 320.349 -0.943 30 20 DBED C=CCN1CCO[C@H](CNC(=O)c2ccnc3[nH]nnc23)C1 1035441061 VKZDJSFEHBICOM-SNVBAGLBSA-N 302.338 -0.031 30 20 DBED Cn1cc([C@@H]2C[C@H]2C(=O)NC[C@@H]2CN(CC#N)CCO2)cn1 1035520281 PXPOPGHFHICCHB-HZSPNIEDSA-N 303.366 -0.136 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2CN(CCOC)CCO2)nn1 1035534866 DHEKXMXTFIRZFD-GFCCVEGCSA-N 309.370 -0.459 30 20 DBED C#CCN1CCO[C@H](CNC(=O)c2cncc(C(N)=O)c2)C1 1035612312 BKDACVXQOHCQIX-CYBMUJFWSA-N 302.334 -0.756 30 20 DBED C#CCN1CCC(C(=O)NC[C@H]2CN(CC#C)CCO2)CC1 1035613820 KHVCBPXIQQRYFS-INIZCTEOSA-N 303.406 -0.218 30 20 DBED C=CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)C1(n2cnnn2)CCOCC1 1037619360 IFHKFTWVGLKORC-AGIUHOORSA-N 318.381 -0.446 30 20 DBED C=C1CC(C)(C(=O)N2CC[C@@](O)(CNC(=O)c3nc[nH]n3)C2)C1 1040551393 SNAISVMVVNSHIS-OAHLLOKOSA-N 319.365 -0.146 30 20 DBED C=CCCCC(=O)NC[C@]1(O)CCN(C(=O)Cn2cnnn2)C1 1040726682 HQZJMGYHLIMSRO-CQSZACIVSA-N 322.369 -0.891 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)c2ncccc2O)C1 1040759641 CCZQFBBGGZIQRM-BONVTDFDSA-N 318.333 -0.360 30 20 DBED Cc1cc(C#N)nc(N2C[C@@H]3CCN(C(=O)C(N)=O)[C@@H]3C2)n1 1040795448 ZGLJFMRRBIMWSP-GXSJLCMTSA-N 300.322 -0.821 30 20 DBED N#Cc1nccc(N2C[C@@H](O)[C@H](NC(=O)C3CCOCC3)C2)n1 1040904012 IJWJJAYHFQYYRI-VXGBXAGGSA-N 317.349 -0.559 30 20 DBED Cn1nccc1C(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1O 1040942735 KLVSERHTVXTBNA-TZMCWYRMSA-N 312.333 -0.334 30 20 DBED C=CCCC1(C(=O)N2CC(O)(CNC(=O)CNC(C)=O)C2)CC1 1041209544 OPTCMAQXTZWSFQ-UHFFFAOYSA-N 323.393 -0.442 30 20 DBED N#Cc1ccc(NC[C@H]2CN(C(=O)C(N)=O)CCCO2)cn1 1041526426 YGTGBASSNCFERA-LBPRGKRZSA-N 303.322 -0.532 30 20 DBED CC(F)(F)C(=O)N1CC(O)(CNC(=O)CSCC#N)C1 1041569265 RWKFEJXFQKKNRU-UHFFFAOYSA-N 307.322 -0.412 30 20 DBED Cc1cc(C#N)nc(N[C@@H]2C[C@H](NC(=O)C(N)=O)C23CCC3)n1 1041610895 LGUOFPPKRBFLKH-WDEREUQCSA-N 314.349 -0.019 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)C[C@H]2CCOC2)C1 1042801291 JHZFGCLNJJZEFD-CYBMUJFWSA-N 308.378 -0.094 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(O)(CNC(=O)c2ncc[nH]2)C1 1042931481 PTBPNOLCCOUNPK-CYBMUJFWSA-N 308.338 -0.960 30 20 DBED Cc1nnsc1C(=O)N1CC(O)(CNC(=O)C#CC(C)C)C1 1042936496 KDXJYZDXJWHBBQ-UHFFFAOYSA-N 322.390 -0.191 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)Cc2cncnc2)C1 1042937153 ZWIQEZJKAOCPJZ-UHFFFAOYSA-N 316.361 -0.632 30 20 DBED C=C1CC(C)(C(=O)N2CC(O)(CNC(=O)C(C)(C)C(N)=O)C2)C1 1043467794 UVUSQZVCGDJLHM-UHFFFAOYSA-N 323.393 -0.456 30 20 DBED C[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1Nc1cncc(C#N)n1 1043472284 IBAQHJXCYAMSPS-MWLCHTKSSA-N 314.349 -0.127 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)CC2CC2)C1 1043650949 WRZFICYEQHMURC-AWEZNQCLSA-N 319.405 -0.426 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)[C@@H]3CC3(F)F)C2)nn1 1043927952 WGFNHWBIZXUXKX-AEJSXWLSSA-N 309.276 -0.331 30 20 DBED CCCN(C)CC(=O)NCC1(O)CN(C(=O)C#CC(C)C)C1 1044298590 OIMINLARTZATNN-UHFFFAOYSA-N 309.410 -0.323 30 20 DBED C#CCN[C@@H]1CCN(C(=O)CCn2ncn(C)c2=O)[C@@H](C)C1 1044691214 KUEDQJQXIOGYOR-QWHCGFSZSA-N 305.382 -0.426 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)Cc2ccco2)C1 1045204926 LNHCZNVSJGXHOT-LBPRGKRZSA-N 320.345 -0.450 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)c2cc(C#N)c[nH]2)C1 1045541395 VVMLTYSKKLRULI-VIFPVBQESA-N 301.306 -0.651 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)C2(C)CCOCC2)C1 1045547207 XFBZVMMQIVUFDV-LLVKDONJSA-N 309.366 -0.348 30 20 DBED CCOc1cc(C(=O)N2CC(O)(CNC(=O)[C@H](C)C#N)C2)[nH]n1 1045554354 DCHFGTMEUHIFQH-SECBINFHSA-N 321.337 -0.729 30 20 DBED C#CCCN1CCC(C)(NC(=O)[C@@H]2CCS(=O)(=O)N2)CC1 1045642693 MGNOSDDWBFLDRJ-LBPRGKRZSA-N 313.423 -0.328 30 20 DBED CC#CCN1CC[C@H](N2CCN(C(=O)C(C)(C)C(N)=O)CC2)C1 1046037568 SQPJXONKXOJRMS-AWEZNQCLSA-N 320.437 -0.260 30 20 DBED C=C(C)CN1C[C@H](O)[C@@H](N(C)C(=O)CN2C(=O)CCC2=O)C1 1047622757 KRUNKKVXEIKISJ-RYUDHWBXSA-N 309.366 -0.785 30 20 DBED C=CCCN1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CC(=O)NC2=O)C1 1047650457 WNQNAAUFZKPYJD-SRVKXCTJSA-N 309.366 -0.881 30 20 DBED CCOCCCC(=O)N(C)[C@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1O 1048356774 YDXNIGRQJJXXPY-AGIUHOORSA-N 311.382 -0.007 30 20 DBED C=C(C)CCC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CCNC2=O)C[C@@H]1O 1048937635 REABOSBVBLWWPV-AGIUHOORSA-N 323.393 -0.491 30 20 DBED C#CCN1C[C@H]2CN(C(=O)[C@H]3CCc4nnn(C)c4C3)C[C@H]2C1 1049006958 OPSMVOPGKNKGAM-MELADBBJSA-N 313.405 -0.057 30 20 DBED N#CCN1C[C@H]2CN(C(=O)c3ccc4nnc(O)n4c3)C[C@H]2C1 1049112437 OSSNOYGKZWVWMF-TXEJJXNPSA-N 312.333 -0.038 30 20 DBED C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[C@@H](C(N)=O)O1 1049724935 UYHGPRAVYFYBQG-YIYPIFLZSA-N 305.378 -0.282 30 20 DBED C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)CN1CC(=O)NC1=O 1049791467 VIUDBXVAWNWMHZ-NEPJUHHUSA-N 304.350 -0.763 30 20 DBED C#CCN1C[C@@H]2CCCN(C(=O)C[C@@H]3NC(=O)NC3=O)[C@@H]2C1 1050066014 BODPOGNMFQSMKW-SDDRHHMPSA-N 304.350 -0.860 30 20 DBED C=CCN1CCOC[C@@H]1CNC(=O)[C@H]1CCCCN1C(N)=O 1051200898 DNMYLEAUOISKFE-QWHCGFSZSA-N 310.398 -0.077 30 20 DBED C=CCN1CC2(C1)CN(C(=O)C1CC(=O)NC(=O)C1)CCO2 1053470724 GILVIGJEBQPAAW-UHFFFAOYSA-N 307.350 -0.862 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)c1cn(CC)nn1)CCO2 1053488958 NZXFJIUOHLQLOW-UHFFFAOYSA-N 303.366 -0.152 30 20 DBED C#CCCN1CC2(CC[C@H](CNC(=O)[C@@H]3CNC(=O)N3)O2)C1 1053655462 LOAPIEPFEFAGAN-NEPJUHHUSA-N 306.366 -0.959 30 20 DBED C=CCn1cccc1C(=O)N[C@H]1COC2(C1)CN(CC(N)=O)C2 1053829888 MISKGLOXYAIOLG-GFCCVEGCSA-N 318.377 -0.268 30 20 DBED CCC(=O)N1CC[C@@H](C(=O)N[C@H]2COC3(C2)CN(CC#N)C3)C1 1053976057 BVCQMOGXJIGPJG-CHWSQXEVSA-N 320.393 -0.272 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)[C@H]3CCc4nncn4C3)CO2)C1 1054016526 FBIQSEPDDPZOFR-QWHCGFSZSA-N 315.377 -0.567 30 20 DBED N#Cc1cncc(N2CCN(C(=O)CO[C@@H]3CCOC3)CC2)n1 1055910834 KAKCCHBVVASVGY-CYBMUJFWSA-N 317.349 -0.198 30 20 DBED N#Cc1cccnc1N1C[C@H]2[C@H](NC(=O)Cn3cnnn3)[C@H]2C1 1056129440 SHYBTZVPIWJFEQ-PJXYFTJBSA-N 310.321 -0.809 30 20 DBED N#Cc1cnc(N2C[C@@H]3C(NC(=O)c4nccnc4N)[C@H]3C2)cn1 1056153201 QQEBPPZZDJMHNA-UWVGGRQHSA-N 322.332 -0.415 30 20 DBED N#Cc1nccc(N2C[C@H]3C(NC(=O)[C@H]4CCNC4=O)[C@@H]3C2)n1 1056355917 QUXYSMDZXVMJHM-IVZWLZJFSA-N 312.333 -0.965 30 20 DBED CS(=O)(=O)CC(=O)N1CCC(N=c2cc[nH]cc2C#N)CC1 1057292048 AXFIMVVUEJLZSM-UHFFFAOYSA-N 322.390 -0.177 30 20 DBED Cc1nnccc1C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N 1058201925 JXXSCDJOLXVDCA-JTQLQIEISA-N 305.338 -0.505 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)[C@@]1(F)CCOC1 1058493116 MSTDSGSTGZFXTO-OAHLLOKOSA-N 314.357 -0.144 30 20 DBED CN1C[C@H](C(=O)N[C@H]2CCN(c3ccnc(C#N)n3)C2)NC1=O 1058504220 JUNLCUKYYJENIW-VHSXEESVSA-N 315.337 -0.933 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)CCc1cn[nH]c1 1058659261 WCIPRRSTDKEZSR-NSHDSACASA-N 307.354 -0.561 30 20 DBED N#Cc1cnc(N[C@H]2CCN(C(=O)[C@@H]3CCC(=O)N3)C2)cn1 1058935543 NGECZFTVADDJAS-ONGXEEELSA-N 300.322 -0.360 30 20 DBED CN1CCO[C@H](C(=O)N[C@H]2C[C@@H](Nc3cnc(C#N)cn3)C2)C1 1059587312 PKJSCQXRSXBFJA-LOWVWBTDSA-N 316.365 -0.262 30 20 DBED C#CCOCCC(=O)N1CC[C@H](CCNC(=O)CC(=O)NC)C1 1059643639 AGDHDKKEVGYDCB-ZDUSSCGKSA-N 323.393 -0.483 30 20 DBED N#Cc1nc(=N[C@@H]2CC[C@H]3CN(C(=O)c4cnn[nH]4)C[C@@H]32)cc[nH]1 1060559052 JRPVZIRDABRIEU-GARJFASQSA-N 324.348 -0.149 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H]1COCCN1C(=O)CCC=C 1061515677 OTTOYZMYZMRKOY-CYBMUJFWSA-N 321.377 -0.564 30 20 DBED N#Cc1cnc(N2CC[C@@H](CNC(=O)[C@@H]3COCCO3)C2)cn1 1061525705 NYWOLFOAOPONHL-AAEUAGOBSA-N 317.349 -0.294 30 20 DBED C#Cc1cncc(C(=O)NC2(CNC(=O)CC(N)=O)CCC2)c1 1062734123 FTDSHDUBLQZWOK-UHFFFAOYSA-N 314.345 -0.293 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)CCn2cncn2)CCC1 1064301937 AWHKDLZWOWUWQL-NSHDSACASA-N 304.354 -0.017 30 20 DBED N#Cc1cnc(N2C[C@H]3C[C@@H](NC(=O)C(N)=O)C[C@H]2C3)cn1 1065553768 KHEYZXADZLPDDQ-IQJOONFLSA-N 300.322 -0.693 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CN(C(=O)c2cn(C)c(O)n2)CCO1 1065575146 UWJIBFUQFVBJLH-NXEZZACHSA-N 321.337 -0.757 30 20 DBED COC[C@H](OC)C(=O)N1CCO[C@@H](CNC(=O)C#CC2CC2)C1 1065590625 COTIYABJJGMTOL-KBPBESRZSA-N 324.377 -0.595 30 20 DBED C=CCCCC(=O)N1CCN([C@@H]2CCN(C(=O)C(N)=O)C2)CC1 1065712205 VIQIDNPGMUNWBN-CYBMUJFWSA-N 322.409 -0.427 30 20 DBED Cc1cc(C#N)nc(N2C[C@H]3CN(C(=O)C(N)=O)C[C@H]3C2)n1 1066058051 IDXXQSOTSLFQGG-AOOOYVTPSA-N 300.322 -0.963 30 20 DBED N#Cc1c[nH]ccc1=NCC1CC(NC(=O)[C@H]2CCC(=O)N2)C1 1067835208 XZDTXNMCGWPBHH-MMWSSPAHSA-N 313.361 -0.040 30 20 DBED Cn1cc(C(=O)NCC2[C@@H]3CN(c4cnc(C#N)cn4)C[C@@H]23)nn1 1068170113 ZULILNPLBLYWBX-RYUDHWBXSA-N 324.348 -0.411 30 20 DBED C[C@@H](Nc1ccc(C#N)nn1)[C@H]1CN(C(=O)CC(N)=O)CCO1 1068227985 SCLXANWYDXAQAP-MWLCHTKSSA-N 318.337 -0.749 30 20 DBED C=CCN[C@@H]1CN(C(=O)Cc2cnn(C)c2)C[C@@H]1n1ccnn1 1070155099 VVKIJRWSPXOAGA-KGLIPLIRSA-N 315.381 -0.218 30 20 DBED C#CCCN1CCNC(=O)CCN(C(=O)Cc2nc[nH]n2)CC1 1071014533 UKTQQQKKKXAUMQ-UHFFFAOYSA-N 318.381 -0.979 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)C2(NC(N)=O)CC2)C[C@@H]1C 1071926454 YBBXFQXILAACGN-WDEREUQCSA-N 324.381 -0.647 30 20 DBED C=CCOCC(=O)N[C@H]1CN(C(=O)Cn2nccn2)C[C@@H]1C 1072184167 RLZLZTWNNVGFOS-RYUDHWBXSA-N 307.354 -0.556 30 20 DBED N#CCN1CCC2(C1)CN(C(=O)c1cnn3c(=O)cc[nH]c13)C2 1073041587 OZGYYMQGEITTBU-UHFFFAOYSA-N 312.333 -0.306 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C2CN(C(=O)CCN(C)C)C2)CC1 1073596678 CLABSEOMRRHLOZ-CYBMUJFWSA-N 321.425 -0.547 30 20 DBED CC#CCN1CCCO[C@@H](CNC(=O)[C@H]2CN(CC)CCO2)C1 1073896647 WZOMTCSKBXCDIJ-JKSUJKDBSA-N 323.437 -0.063 30 20 DBED C#CCCN1CCO[C@H]2CCN(C(=O)C3(C(N)=O)CC3)C[C@H]21 1074327149 PPTQQSIBQVCFKK-OLZOCXBDSA-N 305.378 -0.423 30 20 DBED C#CCCN1CCO[C@H]2CCN(C(=O)CCn3cnnn3)C[C@H]21 1074368391 FQSKXBSUCCWTJG-KGLIPLIRSA-N 318.381 -0.612 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(O)(CNC(=O)c2cn(C)nn2)CC1 1074704582 DSBQXPQTWNOUJJ-JTQLQIEISA-N 320.353 -0.942 30 20 DBED C[C@H](C#N)C(=O)N1CCC(O)(CNC(=O)[C@@H]2CCN(C)C2)CC1 1074706627 NPHQRKRLXKSOQI-CHWSQXEVSA-N 322.409 -0.433 30 20 DBED C=CCOCC(=O)NCC[C@H](C)NC(=O)c1cnn(C)c1N 1075917772 ITJDDPYUKGPLMH-JTQLQIEISA-N 309.370 -0.171 30 20 DBED C=C(C)CN1C[C@@H]2CCN(C(=O)CN3CC(=O)NC3=O)[C@@H]2C1 1076369069 GCADTPUIVMKZPP-NWDGAFQWSA-N 306.366 -0.353 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)[C@]2(C)CCN(C(C)=O)C2)C1 1077963939 MVYZIIJOSDLHJF-IIAWOOMASA-N 309.410 -0.018 30 20 DBED C[C@@H](CCNC(=O)CCn1cnccc1=O)NC(=O)[C@@H](C)C#N 1078149089 QTTKKNXIUDMRJI-RYUDHWBXSA-N 319.365 -0.196 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCN2C(=O)CCC)C1 1078222457 BWRKSGCZEQDHFX-MGPQQGTHSA-N 307.394 -0.428 30 20 DBED C#CCNC(=O)CC(=O)N(CC)C1CN(C(=O)COCCC)C1 1079644743 RBASZTSUJCMNSE-UHFFFAOYSA-N 323.393 -0.388 30 20 DBED C#CCCCC(=O)N1CC(N(CC)C(=O)Cn2ncnn2)C1 1079829540 OVBIPVFIIBYQSY-UHFFFAOYSA-N 304.354 -0.464 30 20 DBED C=CCCn1cc(C(=O)N[C@@H]2CN([C@@H](C)C(N)=O)C[C@H]2C)nn1 1080585790 LGQVQUGDURPMOI-GRYCIOLGSA-N 320.397 -0.222 30 20 DBED COCC(=O)NC1(CO)CCN(C(=O)c2c[nH]c(C#N)c2)CC1 1080673891 KATKUTXSCZRRPT-UHFFFAOYSA-N 320.349 -0.384 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H]1CN(C(=O)C(C)(C)C)C[C@@H]1O 1081424313 CXDHZLNKFXSRAJ-RYUDHWBXSA-N 323.393 -0.893 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(C(=O)Cc2ccon2)C[C@@H]1O 1081471885 SVPXDDPNBMYRCT-JSGCOSHPSA-N 317.345 -0.434 30 20 DBED CC(C)(C)C#CC(=O)NC[C@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1O 1081477478 TWZTXAXRVBBAIV-WDEREUQCSA-N 319.365 -0.597 30 20 DBED C=CCCC(=O)N1C[C@H](CNC(=O)c2cncnc2O)[C@@H](O)C1 1081567016 PPFGBTGKLCWKHT-JQWIXIFHSA-N 320.349 -0.303 30 20 DBED CCC(=O)N1CCC[C@@H](C(=O)N[C@@H]2CN(CC#N)C[C@H]2OC)C1 1081720680 ZUJXBZPEYJJCTG-MGPQQGTHSA-N 322.409 -0.026 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)c2cc(=O)c(OC)co2)C1 1083642929 IURJZMSDINLBEL-PWSUYJOCSA-N 308.334 -0.001 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@H]2CN3CC4CC3(CO2)C4)C1 1083654883 KTTBKEVOHIXPFN-WCCAFZKYSA-N 319.405 -0.966 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)c2nnn(CC)c2CC)C1 1083771177 QCZOVOINLQYXCO-YPMHNXCESA-N 305.382 -0.341 30 20 DBED C#CCN1CC[C@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)[C@H]1C 1088959059 JKGWCQHBNIEGDQ-MNOVXSKESA-N 306.366 -0.471 30 20 DBED CCN(c1nccnc1C#N)[C@H](C)CNC(=O)CNC(C)=O 1089580297 KOECIGVFOAEQIN-SNVBAGLBSA-N 304.354 -0.185 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2cc3c([nH]2)CCOC3)[C@@H](O)C1 1090317205 XMFQBMGLQXKDSS-HIFRSBDPSA-N 303.362 -0.114 30 20 DBED CO[C@H](C)CC(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1O 1090394302 APYMUKCNIZRBKS-GMTAPVOTSA-N 305.338 -0.561 30 20 DBED CC#CCN1CC[C@@H](NC(=O)Cn2nnnc2C(C)C)[C@@H](O)C1 1090633291 MQIAFQCIPLFUBV-OLZOCXBDSA-N 320.397 -0.629 30 20 DBED COCc1nc(CC(=O)N[C@@H]2CCN(CC#N)C[C@@H]2O)cs1 1090709969 RNTUEMKEQUUWGH-NEPJUHHUSA-N 324.406 -0.093 30 20 DBED C=CCN1CC[C@@H](NC(=O)c2ccc(C(N)=O)cn2)[C@H](O)C1 1090842729 DQRJQIJMVTUGQZ-DGCLKSJQSA-N 304.350 -0.469 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CN(c2cccc(F)c2C#N)C[C@@H]1O 1091095925 BMCRSKUMNLBTDG-YPMHNXCESA-N 320.324 -0.501 30 20 DBED CC(=O)NCC[C@H]1CN(c2cnc(C#N)cn2)CCS1(=O)=O 1091303861 XSURJEHGJQTCRS-LBPRGKRZSA-N 323.378 -0.522 30 20 DBED CC(C)(O)CC(=O)N[C@H]1CCN(c2cnc(C#N)cn2)C[C@@H]1O 1092146948 YIKBJROOWMOHLO-RYUDHWBXSA-N 319.365 -0.435 30 20 DBED N#Cc1ccc(N2C[C@@H]3C(NC(=O)CCCC(N)=O)[C@H]3C2)nn1 1093277962 HTCLXLUZHZIJED-QWRGUYRKSA-N 314.349 -0.445 30 20 DBED C#CCCN1CC(OC2CCN(C(=O)Cn3nccn3)CC2)C1 1093540718 NXZQRYKXMHWPPJ-UHFFFAOYSA-N 317.393 -0.007 30 20 DBED COc1c[nH]c(C(=O)NCCN=c2cc[nH]c(C#N)n2)cc1=O 1093994020 VKNRLXLXHUVGBS-UHFFFAOYSA-N 314.305 -0.691 30 20 DBED Cn1nnc2c(C(=O)NCCNc3cnc(C#N)cn3)ccnc21 1094072862 QTGBXPIKWWIAOX-UHFFFAOYSA-N 323.320 -0.133 30 20 DBED C[C@]1(C(=O)NCCCN=c2cc[nH]c(C#N)n2)CNC(=O)C1 1094670649 KEPDTYBOPIKDJO-CQSZACIVSA-N 302.338 -0.785 30 20 DBED Cc1cc(C#N)nc(N(C)[C@@H]2CCN(C(=O)CNC(N)=O)C2)n1 1095091671 RVTKVEHNMAQHDP-LLVKDONJSA-N 317.353 -0.638 30 20 DBED C[C@H](NC(N)=O)C(=O)N1CCCN(c2ccc(C#N)nn2)CC1 1095174423 LPIVBFFNTSZUCP-JTQLQIEISA-N 317.353 -0.556 30 20 DBED CN(CCCNC(=O)c1nnn(C)n1)c1ncc(C#N)cc1F 1095697872 FCSIJGUCTMRVJN-UHFFFAOYSA-N 318.316 -0.128 30 20 DBED CN(CCCNC(=O)[C@@H]1CCC(=O)NC1)c1ccc(C#N)nn1 1095777758 SWQQXVUSIZFHFC-LLVKDONJSA-N 316.365 -0.183 30 20 DBED CCN(CCCNC(=O)CCNC(N)=O)c1cnc(C#N)cn1 1095881878 UBVPBZACWUETGE-UHFFFAOYSA-N 319.369 -0.261 30 20 DBED C=CCCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cn(CC(N)=O)nn1 1096609294 MIAJIYJBFIPMAP-MDZLAQPJSA-N 318.381 -0.325 30 20 DBED CS(=O)(=O)CCC(=O)N1CC[C@H](N=c2cc[nH]cc2C#N)C1 1096982887 MKDSIUZRLUDDON-LBPRGKRZSA-N 322.390 -0.177 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H]1C[C@H](Nc2ccc3nnnn3n2)C1 1097068843 JSQVPMMKEOKIAB-DCAQKATOSA-N 315.337 -0.383 30 20 DBED CNC(=O)NCCC(=O)NC[C@H](C)Nc1ccc(C#N)nn1 1097806672 RCXOQNWMPOQJIY-VIFPVBQESA-N 305.342 -0.416 30 20 DBED Cc1cc(=NC[C@@H]2CCN(C(=O)CNC(N)=O)C2)c(C#N)c[nH]1 1098500827 LRQYBLBGVXKJBP-NSHDSACASA-N 316.365 -0.388 30 20 DBED C[C@H](CCNC(=O)[C@@H]1CN(C)CCO1)Nc1nccnc1C#N 1098998581 NAQBQLXHNSLPHW-YPMHNXCESA-N 318.381 -0.014 30 20 DBED C[C@@H](CCNC(=O)[C@H]1COC(=O)N1)Nc1ccc(C#N)nn1 1099078313 WGPKIRQPJKQLCD-WCBMZHEXSA-N 304.310 -0.237 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)CCC(=C)C)[C@@H](O)C1 1099855220 DXKKXBKZRPGLDX-KBPBESRZSA-N 307.394 -0.357 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CC(CNC(=O)CNC(=O)CC)C1 1100191594 QODXBXCETCVTEU-PNESKVBLSA-N 322.409 -0.865 30 20 DBED CCN(CCNC(=O)[C@H]1CNC(=O)N1)c1nc(C)ccc1C#N 1100698695 ISEHYLQSQTVLSS-GFCCVEGCSA-N 316.365 -0.114 30 20 DBED N#Cc1nccc(N(CCNC(=O)[C@H]2CCNC2=O)C2CC2)n1 1101419065 SRNVMLRXIQXBBB-NSHDSACASA-N 314.349 -0.431 30 20 DBED Cc1ccc(C#N)c(NCCN(C)C(=O)Cn2cnnn2)n1 1101495433 KLCUCKCMKVTGCR-UHFFFAOYSA-N 300.326 -0.181 30 20 DBED CN(CCNc1ccc(C#N)nn1)C(=O)c1cnn(C)c1N 1101579113 OOCWQUCAWFVLJV-UHFFFAOYSA-N 300.326 -0.152 30 20 DBED C#CCOCCC(=O)N(C)CCNc1ncnc2c1nnn2C 1101781418 PSCCSZUSWRULAT-UHFFFAOYSA-N 317.353 -0.332 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1CNC(=O)C(C)(C)NS(C)(=O)=O 1102449004 DJXYFFTZYUCSIG-GHMZBOCLSA-N 316.427 -0.478 30 20 DBED CC[C@@H](CNC(=O)[C@H](CC)NC(C)=O)N=c1cc[nH]c(C#N)n1 1103317099 AGDMPJIMYNBVAO-RYUDHWBXSA-N 318.381 -0.008 30 20 DBED CNC(=O)CC(=O)NCC[C@H]1CCCN1c1nccnc1C#N 1103741880 ARVIJBOJQHBWHV-LLVKDONJSA-N 316.365 -0.041 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)CNc1nccnc1C#N 1104177425 VGVRVQLIYFZDSS-KOLCDFICSA-N 317.353 -0.464 30 20 DBED C[C@@H](CNc1ccc(C#N)nn1)N(C)C(=O)CCNC(N)=O 1104565228 OYEIXSWXPPHVFX-VIFPVBQESA-N 305.342 -0.335 30 20 DBED C#CCNCc1cn(C2CN(C(=O)[C@@H]3CCCOC3)C2)nn1 1105188182 QZCOIMMRBZRLTB-GFCCVEGCSA-N 303.366 -0.189 30 20 DBED CC(C)[C@@H](CNC(=O)[C@H]1CNC(=O)N1)Nc1cncc(C#N)n1 1105277701 JRAGDCXHOVZEQT-GHMZBOCLSA-N 317.353 -0.418 30 20 DBED CC(=O)N1CC(C(=O)N(C)CCN(C)c2cncc(C#N)n2)C1 1105382024 VWQRVNUIMKKIBO-UHFFFAOYSA-N 316.365 -0.279 30 20 DBED Cn1cc(C(=O)NC[C@H](O)CN=c2cc[nH]cc2C#N)cn1 1105716648 YFYAKPSMKWZDIS-GFCCVEGCSA-N 300.322 -0.689 30 20 DBED Cc1cc(C(=O)NC[C@@H](O)CNc2ccc(C#N)nn2)on1 1105747149 XBSNDIWBTRVRCS-JTQLQIEISA-N 302.294 -0.153 30 20 DBED Cc1ccc(C#N)c(NC[C@H](O)CNC(=O)[C@H]2CCC(=O)N2)n1 1105749452 BAIJXOVXMWYCFZ-NWDGAFQWSA-N 317.349 -0.571 30 20 DBED Cn1nccc1CC(=O)NC[C@@H](O)CNc1ccc(C#N)nc1 1105806542 ZDGRRVZZCIJCTE-AWEZNQCLSA-N 314.349 -0.182 30 20 DBED COC[C@@H](C)CC(=O)NC[C@H](O)CN=c1cc[nH]cc1C#N 1105940414 AHYOFAJMXIXBLT-WCQYABFASA-N 306.366 -0.063 30 20 DBED C[C@H](CNc1nccnc1C#N)NC(=O)CN1CCCC1=O 1107636346 LRYJFZQWGYBCTQ-SNVBAGLBSA-N 302.338 -0.113 30 20 DBED CC[C@@H](F)C(=O)NC[C@@]1(C)CN(CC(=O)NCC#N)CCO1 1108121923 JBRKLZSAKNLKLC-RISCZKNCSA-N 314.361 -0.419 30 20 DBED COC(=O)NCC(=O)N[C@@H](C)CN(C)c1cnc(C#N)cn1 1108832037 MYDDEDYSAHFBSF-VIFPVBQESA-N 306.326 -0.355 30 20 DBED C[C@@H](CN(C)c1ccc(C#N)nn1)NC(=O)CN1CCCC1=O 1108849917 JSRSJRHOMFMGBV-NSHDSACASA-N 316.365 -0.088 30 20 DBED Cc1nc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCC#N)co1 1109186988 UXTGLPSUZNEAPN-MDZLAQPJSA-N 317.349 -0.042 30 20 DBED Cc1cc(C#N)nc(N(C)C[C@H](C)NC(=O)[C@H]2C[C@H]2C(N)=O)n1 1109243102 RLBZPCOJZXIUTK-WCQGTBRESA-N 316.365 -0.281 30 20 DBED CN(CCCNc1cnc(C#N)cn1)C(=O)[C@H]1COC(=O)N1 1109424449 FTPPAVOMSXRNLB-SNVBAGLBSA-N 304.310 -0.283 30 20 DBED N#Cc1nc(=NC[C@@H](NC(=O)[C@@H]2CCC(=O)N2)C2CC2)cc[nH]1 1109880967 XSUHTKYITDAYCM-WDEREUQCSA-N 314.349 -0.645 30 20 DBED N#Cc1nccnc1NC1(CNC(=O)[C@H]2CC[C@@H]2C(N)=O)CC1 1110299815 HPMKZNZSGBOXKX-UWVGGRQHSA-N 314.349 -0.080 30 20 DBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cc1cc[nH]n1 1110410133 XDZDNOCLBSJVGB-UPJWGTAASA-N 316.365 -0.687 30 20 DBED CC(C)(O)CC(=O)N(CCO)CCNc1cnc(C#N)cn1 1111458639 FFYKCRSINUDOSG-UHFFFAOYSA-N 307.354 -0.258 30 20 DBED CN(C)CCC(=O)NC[C@H]1COCCN1c1nccnc1C#N 1111719757 VCKYPKPNHHCCJZ-LBPRGKRZSA-N 318.381 -0.379 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)c2ccnn2C)CC1 1112669103 OTGLHBWPQQXNLX-GFCCVEGCSA-N 305.382 -0.131 30 20 DBED COCC#CCN1CCN(C(=O)[C@H]2CN3CCC[C@H]3CO2)CC1 1112868287 LEBJDLJLJPUZIX-JKSUJKDBSA-N 321.421 -0.356 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)[C@H](C)Nc1ccc(C#N)nn1 1112977779 FVKDKKPNZRMQJP-WDEREUQCSA-N 314.349 -0.207 30 20 DBED C[C@H](Nc1cnc(C#N)cn1)[C@@H](C)NC(=O)C1(C(N)=O)CC1 1113274848 WHSYEFOWCSRAFK-DTWKUNHWSA-N 302.338 -0.081 30 20 DBED C[C@@H](CNC(=O)[C@H]1COCCO1)N(C)c1cncc(C#N)n1 1113502400 ZOGUYUSCABPUBQ-CMPLNLGQSA-N 305.338 -0.295 30 20 DBED Cc1cc(C#N)nc(N(C)[C@H](C)CNC(=O)[C@@H]2CCC(=O)N2)n1 1113672187 GOBSPAUBIJXHPY-PWSUYJOCSA-N 316.365 -0.124 30 20 DBED Cc1c(C(=O)NC2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]23)cnn1C 1113856285 BCTYTIFWKFIAEF-VXGBXAGGSA-N 316.365 -0.972 30 20 DBED C[C@H]1CCN(c2ccnc(C#N)n2)C[C@H]1NC(=O)CNC(N)=O 1113996945 CMGLENGPXQCDTF-VHSXEESVSA-N 317.353 -0.652 30 20 DBED C#CCOCCC(=O)N[C@H]1[C@@H]2CN(Cc3cnn(C)n3)C[C@@H]21 1114265765 IPZNAEIBPCSEKC-NHAGDIPZSA-N 303.366 -0.599 30 20 DBED C#CCO[C@H](C)C(=O)NC1[C@H]2CN(CCNC(=O)C3CC3)C[C@H]12 1114273511 NUVGDNKWGQUWLX-XBFCOCLRSA-N 319.405 -0.403 30 20 DBED Cc1occc1C(=O)NCC(=O)N[C@H]1[C@@H]2CN(CC#N)C[C@@H]21 1114316322 DQNSMJPSFXSZSY-IMRBUKKESA-N 302.334 -0.112 30 20 DBED C=CCOCCN1C[C@H]2[C@H](NC(=O)[C@@]3(C)CNC(=O)C3)[C@H]2C1 1114602132 JFJWRJWDTBKTPY-TWJWRFFLSA-N 307.394 -0.238 30 20 DBED CCn1cc(CC(=O)N[C@H]2[C@@H]3CN(CC#CCOC)C[C@@H]32)nn1 1114603120 WWPSZPUGSVHJIE-FOLVSLTJSA-N 317.393 -0.463 30 20 DBED COCC#CCN1C[C@@H]2C(NC(=O)c3cc(C(N)=O)co3)[C@H]2C1 1114824948 YHYXPZDEHFNDKH-RYUDHWBXSA-N 317.345 -0.312 30 20 DBED COCCC(C)(C)C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1115055135 AXITVYUFOBPASD-IMRBUKKESA-N 322.409 -0.265 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@H]1[C@@H]2CN(Cc3nc(=O)n(C)[nH]3)C[C@@H]21 1115331973 HMORWBNTBLRZDX-MEWQQHAOSA-N 321.381 -0.754 30 20 DBED C#CCn1ccc(CN(CC)C(=O)NCc2nnn(C)n2)n1 1116856208 YKRMTGOZSLYRMV-UHFFFAOYSA-N 302.342 -0.229 30 20 DBED C#C[C@@H](NC(=O)C(=O)NCc1nn(CC)nc1C)[C@H]1CCCO1 1118115803 AFDHUFKXUQALRC-DGCLKSJQSA-N 319.365 -0.480 30 20 DBED C=C[C@@H](C)ONC(=O)C(=O)Nc1cc(C)n(CC(=O)NC)n1 1118313859 RGIRDXUGJAHJTE-SECBINFHSA-N 309.326 -0.502 30 20 DBED CC#CCn1nnnc1N1CCN(C(=O)c2cccn2C)CC1 1120247681 ZZZNUGFEQPMUSS-UHFFFAOYSA-N 313.365 -0.003 30 20 DBED C#CCOCCn1nnnc1N1CCN(c2cnccn2)CC1 1120253068 UPSWOXUCSJMPMC-UHFFFAOYSA-N 314.353 -0.561 30 20 DBED CN1CCO[C@H](C(=O)NC[C@@H](CO)Nc2ncccc2C#N)C1 1121250010 LLHMPMOROUNMFP-STQMWFEESA-N 319.365 -0.827 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@H](CO)Nc1nccc(OC)n1 1121404464 GKNFHQPYEJQGKE-IINYFYTJSA-N 310.354 -0.299 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)[C@@H]2CCCNC2=O)nc1 1122148030 QCAXGBOSWOZHPB-NWDGAFQWSA-N 317.349 -0.632 30 20 DBED Cn1cncc1C(=O)NC[C@@H](CO)Nc1ccc(C#N)nc1 1122218758 MBWKZCYAOHJWJT-LBPRGKRZSA-N 300.322 -0.110 30 20 DBED N#Cc1cnc(N[C@@H](CO)CNC(=O)CCc2cnc[nH]2)cn1 1122748578 UVSHKGRAYZZEQY-GFCCVEGCSA-N 315.337 -0.407 30 20 DBED CN(C[C@@H](O)CNc1ccc(C#N)nn1)C(=O)c1ccn(C)n1 1124351723 DIJOKWKFHDXITQ-NSHDSACASA-N 315.337 -0.373 30 20 DBED C=CCCC(=O)NCCNCC(=O)NC(=O)N[C@H](C)COC 1124656279 OKODAOGDEIAZGW-LLVKDONJSA-N 314.386 -0.481 30 20 DBED C#CCOCCC(=O)NCCNCC(=O)N(CC=C)CC=C 1127023154 CTQCYTPUBCXRSQ-UHFFFAOYSA-N 307.394 -0.067 30 20 DBED C=CCCC(=O)N[C@@H]1CN(C[C@@H](O)COC)C[C@@H]1n1ccnn1 1128816625 OLBHILKGSFUCSV-MCIONIFRSA-N 323.397 -0.407 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)[C@@H]1CCCNC1=O 1129956860 FRAHAQLJXXSMGK-CYBMUJFWSA-N 322.409 -0.581 30 20 DBED CC(=O)NCc1c[nH]nc1[C@H]1CCN(CC(=O)NCC#N)C1 1130329238 NKVPKSRATZTZNH-NSHDSACASA-N 304.354 -0.525 30 20 DBED C=CCO[C@H](C)C(=O)N1C[C@H]2C[C@@H]3CN(CC(N)=O)C[C@]2(C1)O3 1131298260 YIHLQLRFPKAXRE-BRXULGCHSA-N 323.393 -0.636 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)CNC(=O)C2CC2)CC1 1131328249 SCRMBOYKSOKOIH-UHFFFAOYSA-N 322.409 -0.651 30 20 DBED C#Cc1cncc(C(=O)NCCNCCN(C)S(C)(=O)=O)c1 1133593026 KSSMFMLMSXDBKA-UHFFFAOYSA-N 324.406 -0.726 30 20 DBED CC#CCN[C@@H](C)C[C@H](C)NC(=O)CN1CCCS1(=O)=O 1134557517 PFYJQVONKYFZFT-STQMWFEESA-N 315.439 -0.082 30 20 DBED C=CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)C(C)(C)C(N)=O 1134657819 NDAORISSLWLKHW-GHMZBOCLSA-N 312.414 -0.327 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1c(C)nn(CC)c1C 1135411411 BVWLLVKNBXTZLJ-LBPRGKRZSA-N 319.409 -0.023 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)c2cn(C(C)C)nn2)C1=O 1135992705 MFDQLBKXIWSKBI-LBPRGKRZSA-N 320.397 -0.035 30 20 DBED N#CCNC(=O)CN1CCC2(C1)CN(C(=O)c1ncc[nH]1)C2 1147483338 OEAQIMKZZMPKBZ-UHFFFAOYSA-N 302.338 -0.803 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CN(Cc2nncn2C)CCCO1 1149397414 AZWQEPVOPQQXOH-RYUDHWBXSA-N 306.370 -0.318 30 20 DBED C=CCN1CCCO[C@H](CNC(=O)CN2CCOCC2=O)C1 1149854520 LRACKFBAYGUTCF-CYBMUJFWSA-N 311.382 -0.762 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)Cn2ccnc2C)C1=O 1151115379 WLYHZWQSBYPQJU-ZDUSSCGKSA-N 305.382 -0.316 30 20 DBED C=CCNC(=O)CN(CC)[C@H](C)CNC(=O)CN1CCCC1=O 1151824824 SMFMJNIHOKMSIU-CYBMUJFWSA-N 324.425 -0.262 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)CCc1cncc(F)c1 1153761347 JFGLHCSUQAJPPM-LBPRGKRZSA-N 320.368 -0.003 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)c1c(C)cnn1C 1154689115 UJIKFIOAWLGFGZ-CYBMUJFWSA-N 319.409 -0.082 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)[C@H]2COCCN2C)C1=O 1156799623 XLAJMLQZWCEJDA-UONOGXRCSA-N 324.425 -0.800 30 20 DBED CCN(CC#N)[C@H](C)CNC(=O)c1cn(CC(=O)N(C)C)nn1 1157158878 OOXNFVSMFWYFCR-LLVKDONJSA-N 321.385 -0.670 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NCCCN[C@@H]1CCC(=O)NC1=O 1158313463 IBQBQWFGTXGYTK-UPJWGTAASA-N 323.393 -0.131 30 20 DBED CN(CC#N)C[C@H]1CCCCN1C(=O)C[C@H]1CC(=O)NC1=O 1158971633 ZBTRMKJDZAAGDP-VXGBXAGGSA-N 306.366 -0.124 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCCNCc1nncn1C 1160198165 VILXNLHZBKXPIV-ZDUSSCGKSA-N 304.398 -0.491 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)[C@@H](C)S(C)(=O)=O 1161095334 SMBNYBJMMJLHSI-GHMZBOCLSA-N 319.427 -0.794 30 20 DBED C#CCN1CCC(CNC(=O)Cn2cncn2)(COC)CC1 1162599087 LYBSJWKTJLOBCJ-UHFFFAOYSA-N 305.382 -0.244 30 20 DBED CNC(=O)NC(=O)[C@H](C)NCC1(CCNC(=O)[C@H](C)C#N)CC1 1163840715 JNMYTVZLNKKXML-MNOVXSKESA-N 323.397 -0.134 30 20 DBED C=CCNC(=O)CNCCCNC(=O)c1c(OC)ccnc1O 1171323912 ZJESOKHYLPQFLC-UHFFFAOYSA-N 322.365 -0.193 30 20 DBED C#CCNCCCC[C@@H](C)NC(=O)c1cn(C)c(=O)n(C)c1=O 1175539095 UEWLYKXMEQJQES-GFCCVEGCSA-N 320.393 -0.405 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)Cn1ccccc1=O 1175733192 VAGTXXBUTNDWCP-CYBMUJFWSA-N 318.377 -0.918 30 20 DBED C=CCNC(=O)CNCCCN(CC1CCCC1)C(=O)C(N)=O 1177402430 MIUNNFZIYWIQTG-UHFFFAOYSA-N 324.425 -0.228 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2COCCO2)[C@H]1C 1178144272 SNJOKUBIEDQWHZ-AVGNSLFASA-N 311.382 -0.717 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@H](NCC(=O)NC(=O)NC)[C@@H]1C 1178678283 FMEQQHOJCZLDEW-TUAOUCFPSA-N 324.381 -0.941 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CCCNC2=O)[C@H]1C 1178944992 MGBFBCGALUHNHX-XQQFMLRXSA-N 322.409 -0.606 30 20 DBED CCC[C@@H](C(=O)N1CC[C@H](NCC#N)[C@@H]1C)S(N)(=O)=O 1179229794 FUJWOUKCRQOACC-DCAQKATOSA-N 302.400 -0.454 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)Cc2ncc[nH]2)[C@H]1C 1179783426 OIBLWLQIFJHCMP-AVGNSLFASA-N 317.393 -0.331 30 20 DBED C=CCCOCC(=O)N1CC[C@H](NCc2nnn(C)n2)[C@@H]1C 1180254046 SOOZEXWFKDQBHM-RYUDHWBXSA-N 308.386 -0.118 30 20 DBED C=CCNC[C@]1(C)CN(C(=O)CN2C(=O)CNC2=O)C[C@H]1C 1183356344 HDTQEVIHFJAZLW-IAQYHMDHSA-N 308.382 -0.202 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 1185715993 NJMGBMUFJUUTCR-MJBXVCDLSA-N 308.426 -0.345 30 20 DBED C#CCNC[C@@H]1CN(C(=O)CNC(=O)OC)CC12CCOCC2 1186273092 KZJRNWGHICOKGM-CYBMUJFWSA-N 323.393 -0.180 30 20 DBED C=CCCN[C@@H]1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)C1 1186371596 JUWNGPDPWSXVAD-GFCCVEGCSA-N 306.366 -0.307 30 20 DBED C=CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3ncc[nH]3)[C@@H]2C1 1187779078 CAYYXMUOJQMAIO-NWDGAFQWSA-N 303.366 -0.142 30 20 DBED C#CCN1CCC(C(=O)N2CC[C@@H](N[C@@H](C)C(=O)NC)C2)CC1 1188091751 NUWCPAWIVJSBSA-DZGCQCFKSA-N 320.437 -0.343 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@H]1CCN(C(=O)c2cncnc2)C1 1189788028 SYJDOCXTOLJZCS-JSGCOSHPSA-N 315.377 -0.239 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 1190775530 HRRPHHJHQJCSOT-ZBFHGGJFSA-N 322.453 -0.145 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)C(CC)CC)C1 1191203815 OCZLUGICBYRNNI-IACUBPJLSA-N 309.410 -0.278 30 20 DBED C=CCCC(=O)N[C@@H]1CN(C[C@@H]2CCc3ncnn32)C[C@H]1O 1191724530 JUQPIXMTKKVFIN-YNEHKIRRSA-N 305.382 -0.107 30 20 DBED C[C@@H](c1nnnn1C)N1C[C@@H](O)[C@H](NC(=O)C#CC(C)(C)C)C1 1192871591 UNBLMGGEYJJNDL-QJPTWQEYSA-N 320.397 -0.518 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(CCOCC2CC2)C[C@H]1O 1192898867 BAWBSLCBXJXNQB-BPLDGKMQSA-N 310.394 -0.387 30 20 DBED C=CCNC(=O)[C@H](C)N(C)[C@H]1CCN(C(=O)c2cnon2)C1 1192989728 YFIRZJOQSSVGEL-QWRGUYRKSA-N 307.354 -0.093 30 20 DBED CC#CCN(C)[C@@H]1CCN(C(=O)CN2C(=O)CN(C)C2=O)C1 1193904814 DECRQDCWVWAPKN-GFCCVEGCSA-N 306.366 -0.564 30 20 DBED C#CCCN(C)[C@@H]1CCN(C(=O)CCCN2C(=O)CNC2=O)C1 1193940330 IHEITYWIXHFUPB-CYBMUJFWSA-N 320.393 -0.126 30 20 DBED C=CCOCCN(C)[C@H]1CCN(C(=O)C[C@@H]2CC(=O)NC2=O)C1 1194543707 GVBWHCXNKIJWSH-STQMWFEESA-N 323.393 -0.226 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1CN(CCS(C)(=O)=O)C[C@H]1O 1195286381 HMCSRERXCAKQJT-GHMZBOCLSA-N 304.412 -0.596 30 20 DBED CNC(=O)NC(=O)CN1CCCN(C(=O)C#CC2CC2)CC1 1195754335 LUCBICSCJZCRAG-UHFFFAOYSA-N 306.366 -0.610 30 20 DBED C=CCC(C)(C)C(=O)N[C@@H]1CN(C[C@@H](O)COC)C[C@H]1O 1196475307 RUTGLUQSIFOWJX-JHJVBQTASA-N 300.399 -0.243 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)CNC(=O)c2ccccc2)C1 1198075167 FZFQWQGBBLSXOE-HUUCEWRRSA-N 315.373 -0.399 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCCN(CC(=O)NCC#N)CC1 1198338002 YVGGDIDRANOMFX-ZDUSSCGKSA-N 308.382 -0.248 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(CCc2cnn(C)c2)C[C@H]1O 1199317768 BXTVSXGASPULPT-BPLDGKMQSA-N 322.409 -0.285 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)CC[C@]2(C)CCC(=O)N2)C1 1199591725 SEVIDHBOKYQMBZ-XJKCOSOUSA-N 307.394 -0.380 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)CN2CCOCC2)CCCO1 1200290983 KZKSOLJSLAXWCW-OAHLLOKOSA-N 309.410 -0.451 30 20 DBED C=CCNC(=O)CNC[C@H]1CN(C(=O)C#CC2CC2)CCCO1 1200452721 LKJZOANNZUIKCZ-HNNXBMFYSA-N 319.405 -0.091 30 20 DBED C=CCCCNC[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)CCCO1 1201268120 CIFZMDNRNXKCTA-OLZOCXBDSA-N 310.398 -0.159 30 20 DBED COCC#CCNC[C@H]1CN(C(=O)Cc2nc[nH]n2)CCCO1 1201834020 RXLOJGCPRUBQEC-ZDUSSCGKSA-N 321.381 -0.796 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC(CNCC(=O)NCC#N)CC1 1205248049 GRISWRKJWLHUSB-ZDUSSCGKSA-N 320.393 -0.507 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(C[C@H](CC)OC)C[C@H]1C 1206892032 UCASAFBMOSLOKE-HZSPNIEDSA-N 309.410 -0.013 30 20 DBED C#CCCN[C@@H]1CCCN(C(=O)c2nccnc2C(N)=O)C1 1210995349 RVEXTGWVYNBJOC-LLVKDONJSA-N 301.350 -0.207 30 20 DBED C#CCN[C@H]1CCCN(C(=O)CCS(=O)(=O)N(C)C)C1 1211220250 ZBKYOVPBFAIAMB-LBPRGKRZSA-N 301.412 -0.518 30 20 DBED C=CCCC(=O)N[C@@H]1CN(CCN2CCNC2=O)C[C@H]1OC 1212022542 WNUMFIBMAYZKGO-CHWSQXEVSA-N 310.398 -0.207 30 20 DBED C=CCCN[C@@H]1CN(C(=O)CCn2ncn(C)c2=O)C[C@H]1C 1215211628 HDAUQTJIHMPVFT-CHWSQXEVSA-N 307.398 -0.016 30 20 DBED C[C@@H](C(N)=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)CSCC#N 1217331192 LOIXGVVXKVVCPT-GARJFASQSA-N 312.395 -0.971 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CCCCNC(N)=O 1218252766 IHOMPOWIEKXDRE-NWDGAFQWSA-N 309.370 -0.740 30 20 DBED Cc1cnc(CN2C[C@H](O)[C@H](NC(=O)CSCC#N)C2)cn1 1219218842 ZXBCQOZUDZKCPK-OLZOCXBDSA-N 321.406 -0.297 30 20 DBED C=CCOCC(=O)N[C@@H]1CN([C@@H]2CCN(CC=C)C2=O)C[C@@H]1O 1219363976 SAPDGIZTWHRXCQ-MCIONIFRSA-N 323.393 -0.863 30 20 DBED C#CCCCCC(=O)N[C@@H]1CN(Cc2nc(O)n[nH]2)C[C@@H]1O 1219482280 UDLIZRRVMKIJHZ-MNOVXSKESA-N 307.354 -0.635 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(Cc2coc(C)n2)C[C@@H]1O 1219536438 QOBNCFVJVQGBDZ-IPYPFGDCSA-N 309.366 -0.029 30 20 DBED CC[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CN(CC#CCOC)C[C@@H]1O 1219825736 JELORBDMJWXHHK-KBXIAJHMSA-N 310.394 -0.387 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)CS(=O)(=O)C(C)C)C1 1220999879 YWIFPGUNOZYOAC-NEPJUHHUSA-N 304.412 -0.453 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2cnsn2)C[C@@H]1O 1221143686 MZJHDCQTIKAMLX-WCQGTBRESA-N 312.395 -0.210 30 20 DBED C#CCCN1CCC(CNC(=O)C[C@H]2CC(=O)NC2=O)CC1 1225703428 UPVMDMVKLHWVLN-ZDUSSCGKSA-N 305.378 -0.109 30 20 DBED Cc1nnc(CC(=O)NC2CCN(CC(=O)NCC#N)CC2)o1 1227152147 SCSFTJSVVIVYTP-UHFFFAOYSA-N 320.353 -0.859 30 20 DBED C=CCCN[C@@H]1CCCC[C@H]1NC(=O)CNS(=O)(=O)NC 1227741757 GHRKUAWHFYJVPL-VXGBXAGGSA-N 318.443 -0.367 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)CCCN(C)C)CC1 1228889339 ZQYRPGHUKSCARU-UHFFFAOYSA-N 308.426 -0.342 30 20 DBED CCNC(=O)CCC(=O)N(C)C[C@H]1CCN1CC(=O)NCC#N 1231207821 CCJAZDDUVZPAFC-GFCCVEGCSA-N 323.397 -0.925 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC[C@H]1CN(C)C(=O)CC(=O)NCC 1233838164 UEXAPDFLSKPTHL-OLZOCXBDSA-N 324.425 -0.264 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC[C@H]1CN(C)C(=O)Cn1nccn1 1234583828 OZJMTASITZNZAP-OLZOCXBDSA-N 320.397 -0.499 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2ccc(C#C)cn2)C1 1265456321 OXQLZHRCVZYPGY-AWEZNQCLSA-N 310.357 -0.384 30 20 DBED Cn1c(C=NNCC2CCOCC2)nc2c1c(O)nc(=O)n2C 1318886553 LURMUUASZSPDHX-UHFFFAOYSA-N 320.353 -0.277 30 20 DBED N#CCN1CCC(NC(=O)N2CCN3C(=O)NC[C@H]3C2)CC1 1319081483 ICBRHCFQSBXNMN-LBPRGKRZSA-N 306.370 -0.607 30 20 DBED CN1CCN(c2ncc(C=NN3C(=O)CNC3=O)cn2)CC1 1319972938 NCNUMJLPQYOFSV-UHFFFAOYSA-N 303.326 -0.886 30 20 DBED C#CCOCCNC(=O)C(=O)N(CCOC)Cc1ccccn1 1323025286 AWOFWBMFMKBEBZ-UHFFFAOYSA-N 319.361 -0.177 30 20 DBED C#CCN(CC)C(=O)C(=O)Nc1ncn(CC(=O)OCC)n1 1325948156 LLFUMRBKHCKGHW-UHFFFAOYSA-N 307.310 -0.739 30 20 DBED COC(=O)[C@H]1C[C@@H](O)CN(C(=O)C(=O)NCC2(CC#N)CC2)C1 1326127616 KPLUOOHBUUKONY-WDEREUQCSA-N 323.349 -0.821 30 20 DBED N#CCN1CCC(CNC(=O)C2(S(N)(=O)=O)CC2)CC1 1326505896 NFLBMCPEIHRCQG-UHFFFAOYSA-N 300.384 -0.841 30 20 DBED C#CCNC(=O)C1CCN(C(=O)CN(C)C(=O)C2CC2)CC1 1327190110 ISWVGAOBSLWCON-UHFFFAOYSA-N 305.378 -0.157 30 20 DBED C#C[C@H](NC(=O)C(=O)N1C[C@H](C)[C@@](C)(CO)C1)[C@@H]1CCCO1 1329030054 MIWXIHUTFCEBJP-WFGGJUAMSA-N 308.378 -0.240 30 20 DBED C=CC[C@H]1NC(=O)N(CCC(=O)N2CCN(C(C)=O)CC2)C1=O 1332404294 GLKHWLVWQNMCPO-GFCCVEGCSA-N 322.365 -0.436 30 20 DBED CCC1=C(C(=O)C(=O)OC)[C@H](c2cn(C)nn2)NC(=S)N1 1334709453 ALTVWPHAFHPTNZ-VIFPVBQESA-N 309.351 -0.260 30 20 DBED C#CCN1CCN(C(=O)[C@@H]2CC(c3cnn(C)c3)=NO2)CC1 1336586487 VZTWRHJVEIGLST-AWEZNQCLSA-N 301.350 -0.310 30 20 DBED C=CCn1c(-c2cn(CCO)nn2)nnc1N1CC[C@@H](OC)C1 1340783452 PRBXXCHKLJUIAK-LLVKDONJSA-N 319.369 -0.060 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N1CCC[C@@H](C(=O)NC)C1 1347037167 GFSPFOKKWKLSMJ-CYBMUJFWSA-N 323.393 -0.531 30 20 DBED COCC#CC(=O)NC[C@H]1CCC[C@@H]1NC(=O)C#CCOC 1347561709 VAQUQXWOXJDOPU-KGLIPLIRSA-N 306.362 -0.313 30 20 DBED CCCN(CC)CCNC(=O)Cn1cc(C#N)c(O)nc1=O 1362203676 YPQTZMFKGRMESY-UHFFFAOYSA-N 307.354 -0.331 30 20 DBED C[C@@H](NC(=O)CCn1cc(C#N)c(O)nc1=O)c1cnn(C)c1 1362333262 QYXPYSCMLOKLPS-SECBINFHSA-N 316.321 -0.178 30 20 DBED N#Cc1cn(CC(=O)N2CCCCC[C@H]2CO)c(=O)nc1O 1362966194 AVOPHQOFYFKGOY-NSHDSACASA-N 306.322 -0.416 30 20 DBED N#Cc1cc(NC(=O)N2CCN(S(N)(=O)=O)CC2)ccn1 1364409218 NANZZXWCKNIOTR-UHFFFAOYSA-N 310.339 -0.694 30 20 DBED CN1CCC[C@@H]1C(=O)NC[C@H](O)CNC(=O)c1ccc(C#N)[nH]1 1376585732 MQOSZCHIFOMFQS-DGCLKSJQSA-N 319.365 -0.813 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](NC(=O)COCc2nncn2C)C1 1385884476 GPPGLFYTOPIEJJ-MNOVXSKESA-N 320.353 -0.792 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1csc2cncn12 1389127858 NDIBZXAKKGLMCB-IUCAKERBSA-N 321.362 -0.238 30 20 DBED CNC(=O)NC(=O)[C@H](C)N(C)C1CCN(C(=O)[C@@H](C)C#N)CC1 1394386535 JJPXDQWKOPLAKV-QWRGUYRKSA-N 323.397 -0.087 30 20 DBED Cc1c(C(=O)N2CC[C@@H](N(C)C(=O)[C@@H](C)C#N)C2)nnn1C 1396776067 NCGMVAUGOOQVOI-GXSJLCMTSA-N 304.354 -0.044 30 20 DBED Cc1nn(C)cc1CC(=O)N(C)C[C@H](O)CNC(=O)[C@@H](C)C#N 1405622563 TZHWZWGIUBTFGK-GXFFZTMASA-N 321.381 -0.634 30 20 DBED CCN(CCNC(=O)c1cccc(C(N)=O)n1)C(=O)[C@H](C)C#N 1408757639 MNQIEZBNFMMQRQ-SNVBAGLBSA-N 317.349 -0.082 30 20 DBED C[C@@H](CNC(=O)[C@H](C)C#N)NC(=O)Cc1nc2ncccn2n1 1410363396 KTUDHYMZHYBFDG-ZJUUUORDSA-N 315.337 -0.553 30 20 DBED C=C(Cl)CNC[C@@H](O)CNC(=O)[C@H]1CCCCS1(=O)=O 1420138589 LNQOQWBBRKBXSY-GHMZBOCLSA-N 324.830 -0.227 30 20 DBED CNC(=O)NCCC(=O)N1CCC[C@H](NC(=O)[C@@H](C)C#N)C1 1429738159 SWECEYUAUYVDRM-QWRGUYRKSA-N 309.370 -0.428 30 20 DBED C[C@@H](CN1CCOCC1)C(=O)NCC1CN(C(=O)[C@H](C)C#N)C1 1430371878 UTVZLOWUQKXYRE-OLZOCXBDSA-N 322.409 -0.311 30 20 DBED COC(=O)[C@@H]1CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)C1 1442393768 LIMULTVEJUKOBT-SECBINFHSA-N 320.305 -0.768 30 20 DBED C[C@H]1COCC[C@@H]1CNC(=O)CCn1cc(C#N)c(O)nc1=O 1449077529 QUEIMGVFKUPGKM-WDEREUQCSA-N 320.349 -0.001 30 20 DBED CCN(CCNC(=O)c1cc(C#N)c[nH]1)C(=O)[C@H](C)CC(N)=O 1449346008 IPPOXPVIMXOHHW-SNVBAGLBSA-N 319.365 -0.024 30 20 DBED CC(=O)N1CC(C(=O)N2CC[C@H](N(C)C(=O)[C@H](C)C#N)C2)C1 1453646486 XKWALLYIBIWMCI-MFKMUULPSA-N 306.366 -0.316 30 20 DBED C[C@H]1CN(C(=O)CCn2cc(C#N)c(O)nc2=O)[C@@H](C)CO1 1464073086 KYIVZEHPJLBIQD-UWVGGRQHSA-N 306.322 -0.154 30 20 DBED C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)N(C)C(=O)[C@@H]1CCC(=O)N1 1486834669 IRVQDLZJWSPLGH-ONGXEEELSA-N 317.349 -0.258 30 20 DBED CCn1nc(C(=O)NCCN(C)C(=O)[C@@H](C)C#N)ccc1=O 1496400697 NUKPNJDGIXPOAV-JTQLQIEISA-N 305.338 -0.389 30 20 DBED C=CCn1c(N2CCS(=O)CC2)nnc1[C@@](C)(O)COC 1520483128 CPDAWXYNWAAYCU-ZDUSSCGKSA-N 314.411 -0.113 30 20 DBED C#CCNC(=O)[C@H](C)N(C)C[C@H]1CCCN1C(=O)CNC(=O)O 1573311854 ZMUPTBHJLJDNMZ-NWDGAFQWSA-N 324.381 -0.685 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H](C)CNC(=O)CCCc1cnn[nH]1 1575013329 NWAVNIZYTVIFAL-VXGBXAGGSA-N 321.381 -0.213 30 20 DBED CN(c1cnc(C#N)c(-c2nn[nH]n2)n1)C1CCS(=O)CC1 1579286173 DBEGWICFXLKNQO-UHFFFAOYSA-N 318.366 -0.124 30 20 DBED N#Cc1ccc(N2CC[C@H](C(=O)NCC3(O)CNC3)C2)c(F)c1 1580067654 ZEVOOIDEJXGEHA-LBPRGKRZSA-N 318.352 -0.026 30 20 DBED C#C[C@H](CO)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)O 1588370988 SSJWQCYFBOLQNM-SSDOTTSWSA-N 314.275 -0.435 30 20 DBED C#CCN(CC(=O)O)C(=O)CCn1cnc2c(N)ncnc21 1588402262 PDJAYDLDLJVYKZ-UHFFFAOYSA-N 302.294 -0.655 30 20 DBED C#CCCN1CCN(CCN(C)C(=O)[C@H]2C[C@@H]2C(=O)O)CC1 1588453807 VDYBZEONSNSXDC-KBPBESRZSA-N 307.394 -0.194 30 20 DBED C#Cc1ccc(NC(=O)C(=O)N2CC(O)(C(=O)O)C2)c(Cl)c1 1588516900 HGXFYGRZCIXYEQ-UHFFFAOYSA-N 322.704 -0.082 30 20 DBED Cn1nccc1[C@H](O)CNc1cnc(C#N)c(-c2nn[nH]n2)n1 1592604240 QQVWIXUYFVZQFA-SECBINFHSA-N 312.297 -0.593 30 20 DBED C[C@]1(C#N)CCN(C(=O)C(=O)N2CCO[C@H](CC(=O)O)C2)C1 1593742777 FBKYPSPZIDFRJZ-QMTHXVAHSA-N 309.322 -0.549 30 20 DBED N#Cc1cc(S(N)(=O)=O)ccc1N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)O 1601090972 FBTMMVLKUYESPJ-IAZYJMLFSA-N 307.331 -0.028 30 20 DBED N#Cc1cccc(NC(=O)C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3C(=O)O)n1 1601122891 WCLYDSKDQTXUEW-JZYVYDRUSA-N 300.274 -0.319 30 20 DBED O=C(N[C@H](Cn1cncn1)C(=O)O)c1cccc(C#CCO)c1 1601427787 DJXYKQXRXLTHKG-CYBMUJFWSA-N 314.301 -0.495 30 20 DBED C#Cc1cncc(C(=O)N2CC(NC(=O)[C@@H]3C[C@H]3C(=O)O)C2)c1 1602742893 CLPLFVGLDZFAMW-CHWSQXEVSA-N 313.313 -0.276 30 20 DBED C=CCOC[C@H](NC(=O)CCc1nc(N(C)C)no1)C(=O)O 1602909804 IBBMVLCKWZAGGW-VIFPVBQESA-N 312.326 -0.160 30 20 DBED N#CCC(=O)N1CCN(C(=O)[C@@H]2CO[C@@H](CCC(=O)O)C2)CC1 1605582234 VZDZPAOXQLDJMG-RYUDHWBXSA-N 323.349 -0.159 30 20 DBED Cc1nn(CCC#N)c(C)c1CCC(=O)NC[C@H](O)C(=O)O 1608006167 NBMWFNAFLKDWRR-LBPRGKRZSA-N 308.338 -0.092 30 20 DBED N#CC[C@]1(O)CCN(C(=O)CN2CCC[C@@H](C(=O)O)C2=O)C1 1608181428 JZSAVIWQWVPXCO-YGRLFVJLSA-N 309.322 -0.813 30 20 DBED N#Cc1ccc(C(=O)NC2(C(=O)O)CCS(=O)(=O)CC2)nc1 1610626212 GIMWOEMSWYKSOZ-UHFFFAOYSA-N 323.330 -0.285 30 20 DBED C#CCNC(=O)CN(C)CCCNC(=O)[C@@H]1CCCCN1C 1707385253 JBWSZWOUGPFSQD-AWEZNQCLSA-N 308.426 -0.342 30 20 DBED C#CCNC(=O)CNC[C@H]1CCN(C(=O)[C@H]2CCCOC2)C1 1752933227 ZOZDAWZRMXTVLL-KGLIPLIRSA-N 307.394 -0.400 30 20 DBED C#CCNC(=O)CN[C@@H]1CCC[C@H](NC(=O)COCC=C)C1 1752965530 QQCJDAZIHXCXGW-KGLIPLIRSA-N 307.394 -0.045 30 20 DBED C=CC(C)(C)C(=O)NCC1CN(CCN2C(=O)CNC2=O)C1 1753407680 SHYHLYNXHUYSLR-UHFFFAOYSA-N 308.382 -0.202 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC(CNC(=O)Cc2[nH]cnc2C)C1 1753414580 PHDRWENCMXHYFO-GFCCVEGCSA-N 317.393 -0.553 30 20 DBED Cc1nonc1C(=O)N(C)[C@H]1CCN(CC(=O)NCC#N)C1 1753451006 VOGHSERXLWMQTF-JTQLQIEISA-N 306.326 -0.836 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@H](C)N(C)C(=O)c1ccnc(C)n1 1753726442 MJLFXTXLPSZWNO-RYUDHWBXSA-N 317.393 -0.027 30 20 DBED COCC#CCNC[C@H](O)CNC(=O)c1ccc(C)nc1O 1753928514 HBHNIXMOPUJVFU-LBPRGKRZSA-N 307.350 -0.574 30 20 DBED CC#CCNC[C@@H](NC(=O)CN(C)S(=O)(=O)CC)C1CC1 1754455969 VPKDFUISASXRKH-CYBMUJFWSA-N 315.439 -0.224 30 20 DBED CC#CCNC1(CNC(=O)CCc2nnc(O)nc2O)CC1 1754519064 QCEZIYBAJCHASL-UHFFFAOYSA-N 305.338 -0.523 30 20 DBED C#CCN[C@@H](C)[C@@H]1CCN(C(=O)CCn2ncn(C)c2=O)C1 1754797364 OBTLMWANKRPFIU-QWHCGFSZSA-N 305.382 -0.568 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2COCCN2CCOCC)nn1 1754972792 PKFMIBVYIIESKZ-ZDUSSCGKSA-N 323.397 -0.069 30 20 DBED CC1(NCC#N)CCN(C(=O)CCCS(N)(=O)=O)CC1 1755132062 XVYADUSYUDKUNJ-UHFFFAOYSA-N 302.400 -0.451 30 20 DBED C=CCOCCN[C@@H](C)[C@H](C)NC(=O)C1CC(=O)NC(=O)C1 1755257734 UUNOXXGVBILRTR-QWRGUYRKSA-N 311.382 -0.275 30 20 DBED C#CCCN[C@@H](CO)CNC(=O)c1cnc2ccccn2c1=O 1755642753 MMBHLGCZOLYZMR-GFCCVEGCSA-N 314.345 -0.602 30 20 DBED C#CCN(C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCc2cnn(C)c2C1 1755803929 FEJCALQSVJUKSQ-UKRRQHHQSA-N 318.421 -0.091 30 20 DBED C[C@@H](C#N)C(=O)NCCOCCN(C)C(=O)c1csnn1 1756381283 CHIDCDMAYSJOHI-VIFPVBQESA-N 311.367 -0.097 30 20 DBED C#Cc1cncc(C(=O)N[C@@H](CO)CNC(=O)[C@H](C)OCC)c1 1756506273 RYVBUIAHWXNDDU-SMDDNHRTSA-N 319.361 -0.305 30 20 DBED C#CCOCCC(=O)N1CC[C@H](NC(=O)CC2CC2)[C@@H](O)C1 1757558778 GNHNLUQYGLDQEH-KBPBESRZSA-N 308.378 -0.096 30 20 DBED C#CCNC(=O)CNS(=O)(=O)c1cc(C(=O)O)sc1C 1776134756 OXARPIZQQSUFGC-UHFFFAOYSA-N 316.360 -0.218 30 20 DBED C=CCNC(=O)CN1CCN(CC(=O)Nc2cc(C)on2)CC1 27559150 ZGMSNWSGRIDKBL-UHFFFAOYSA-N 321.381 -0.159 30 20 DBED N#Cc1cccc(NC(=O)C(=O)N2CCO[C@@H](C(N)=O)C2)c1 51891605 UIXNYNCGCVVJSG-LLVKDONJSA-N 302.290 -0.791 30 20 DBED COC(=O)[C@@]1(F)CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)C1 74776918 XRQWSDAIDSKDRY-CYBMUJFWSA-N 310.285 -0.953 30 20 DBED C[C@H](O)C(=O)N1CCN(CC(=O)N[C@](C)(C#N)C2CC2)CC1 152941318 XLBIBXQQNIWJRL-XHDPSFHLSA-N 308.382 -0.680 30 20 DBED CNS(=O)(=O)[C@H]1CCN(CC(=O)N[C@@](C)(C#N)C2CC2)C1 155829682 PTHALURTUSODTC-AAEUAGOBSA-N 314.411 -0.582 30 20 DBED CC[C@@H](CC#N)NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 183846521 FDBJJQYSQRCSCE-VIFPVBQESA-N 318.337 -0.758 30 20 DBED C/N=C(/NC[C@@H]1CN(C)CCN1C)N1CCC[C@H](CC(N)=O)C1 261832838 VQZDNKYCEIBFSS-ZIAGYGMSSA-N 324.473 -0.605 30 20 DBED CN(CCC#N)S(=O)(=O)N1CC[C@H](N2CCNCC2)C1 262368856 WKLXLLGDUAURQJ-LBPRGKRZSA-N 301.416 -0.944 30 20 DBED C/N=C(/NCc1nnc2n1CCCC2)N1CCN(C(C)=O)CC1 263236754 JTKQFCQKABILBT-UHFFFAOYSA-N 319.413 -0.146 30 20 DBED COCCN/C(N)=N/C[C@H](O)CS(=O)(=O)c1cccs1 269677945 DQDUJYOFICCREQ-VIFPVBQESA-N 321.424 -0.567 30 20 DBED CCOC(=O)C(=O)N1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 269759541 DFWZYLGDHCTKBS-UHFFFAOYSA-N 304.306 -0.266 30 20 DBED C#CCNC(=O)c1ccccc1NC(=O)CNS(=O)(=O)CC 270361867 RROUFRBFKXBYTF-UHFFFAOYSA-N 323.374 -0.073 30 20 DBED C[C@H]1CN(C(=O)CNC(=O)c2ccc(C#N)cc2)CC(=O)N1C 282392378 OKQJCMQHFLDPAU-NSHDSACASA-N 314.345 -0.023 30 20 DBED C[C@@H](NC(=O)NCCn1cnc(C#N)n1)[C@@H](C)N1CCOCC1 287548506 VJTLRVJXBJUYMD-VXGBXAGGSA-N 321.385 -0.442 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N[C@@H](C)CC)c1=O 299285734 YHUPTOGNLNBDTB-NSHDSACASA-N 322.365 -0.542 30 20 DBED CN1C[C@H](/N=C(/O)N(C)[C@@H]2CCN(S(C)(=O)=O)C2)CC1=O 330199656 VSEKSMKQHMLCOP-NXEZZACHSA-N 318.399 -0.903 30 20 DBED COC[C@@H]1CN(/C(O)=N/[C@H](C)CN2CCOCC2)CCO1 330935091 LPRUOIFPOAAPPY-OLZOCXBDSA-N 301.387 -0.032 30 20 DBED COCCN(CCC#N)S(=O)(=O)NCC1(O)CCCC1 337103476 YCDFTDHFKKUFDN-UHFFFAOYSA-N 305.400 -0.012 30 20 DBED COC(=O)[C@@H]1CN(S(=O)(=O)N(C)C[C@@H](C)C#N)CCO1 337105350 ZDQRFICSQKVWEK-UWVGGRQHSA-N 305.356 -0.804 30 20 DBED CCN(CCC#N)C(=O)Cn1cc(S(=O)(=O)N(C)C)cn1 348110302 FWBXLMQIMQDRIF-UHFFFAOYSA-N 313.383 -0.104 30 20 DBED N#Cc1cncc(S(=O)(=O)N2CCSC[C@H]2C(N)=O)c1 352066767 DBHXWYODYHCAAC-JTQLQIEISA-N 312.376 -0.455 30 20 DBED C[C@@H](C#N)NC(=O)[C@@](C)(O)CN1C(=O)NC2(CCCC2)C1=O 356570478 XRPXJIZRHCOILC-ZANVPECISA-N 308.338 -0.370 30 20 DBED C[C@H](CN(C)C)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N 357597283 RUAHZYYGQXFYRP-SNVBAGLBSA-N 320.397 0.515 30 20 DBED CCN(C(=O)NCC(=O)NCC#N)[C@H](C)CS(=O)(=O)CC 358289230 GNHDDBMZPJBETK-SNVBAGLBSA-N 318.399 -0.519 30 20 DBED CN(C)CCN(C)CCCN(C)C(=O)NCC(=O)NCC#N 359569570 IKLQFVOLZSQRNT-UHFFFAOYSA-N 312.418 -0.849 30 20 DBED N#CCNC(=O)CNC(=O)c1cnc(C2CCCC2)nc1N 359970397 MLWXQAOBQPGSBR-UHFFFAOYSA-N 302.338 0.086 30 20 DBED C=CCNC(=O)CNC(=O)N1CC(=O)N(CC(F)(F)F)C1 362853367 LJMWWZHDUMNFRX-UHFFFAOYSA-N 308.260 -0.338 30 20 DBED CC[C@H](NS(=O)(=O)N(C)CCC#N)C(=O)N1CCOCC1 437295539 UTUHKGSXKQNBGB-NSHDSACASA-N 318.399 -0.696 30 20 DBED Cn1c(O)ncc(C(=O)NC[C@@H]2CCCN(CC#N)C2)c1=O 443820022 BGWNAIBCZKEGEI-JTQLQIEISA-N 305.338 -0.549 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)COC[C@H]2CCCO2)CC1 491656203 AYDGTHUXMWBZFK-CQSZACIVSA-N 323.393 -0.924 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCNC2(C)C)C1=O 582601054 QJGPKKJUJLDSMV-VIFPVBQESA-N 308.338 -0.780 30 20 DBED CCN1C[C@@H](CNS(=O)(=O)N(C)[C@@H](C)CC#N)CC1=O 593642029 XDLRDRGJKMHWPJ-WDEREUQCSA-N 302.400 -0.077 30 20 DBED CCn1cc(CNS(=O)(=O)N(CCC#N)CCOC)nn1 594838673 DKHYUWLQTISKKD-UHFFFAOYSA-N 316.387 -0.506 30 20 DBED CNC(=O)CCNC(=O)C(=O)Nc1cc(OC)c(C#N)cc1F 599940611 OYSZMVHSWREJCK-UHFFFAOYSA-N 322.296 -0.103 30 20 DBED CS(=O)(=O)N1CCN(CCNc2ccc(C#N)nc2)CC1 611370486 RNYWNVNPVJKILL-UHFFFAOYSA-N 309.395 -0.058 30 20 DBED CC#CC[C@@H](CO)NC(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1 627976956 DAVLISLCINGNDZ-RYUDHWBXSA-N 304.350 -0.337 30 20 DBED C=CC[C@@H]1CCCN(C(=O)C(=O)N2CCO[C@H](C(N)=O)C2)C1 658523962 LZHDJEMSHXCXTM-NEPJUHHUSA-N 309.366 -0.486 30 20 DBED C=CC[C@@H](CO)CNC(=O)NCCCN(C)S(C)(=O)=O 678774981 VZJKTFCFBZYFKO-LLVKDONJSA-N 307.416 -0.248 30 20 DBED C=CCS(=O)(=O)CCN1C(=O)[C@H]2CSCCN2C1=O 762298728 XOLFMMUVKJQNJK-SECBINFHSA-N 304.393 -0.033 30 20 DBED N#Cc1cccc(OCC(=O)NCC(=O)N2CCOCC2)c1 776499572 LUXZWQDWCFMUIA-UHFFFAOYSA-N 303.318 -0.088 30 20 DBED C#CCNC(=O)CN1CCN(Cc2nnc(CC)s2)CC1 784148284 UKPQJBWSHZQKOF-UHFFFAOYSA-N 307.423 -0.033 30 20 DBED C#CCOCCN=c1cc(NCCOCC#C)n2[nH]cnc2n1 795134455 LNNGTXDGNHQVEB-UHFFFAOYSA-N 314.349 -0.330 30 20 DBED COc1ccc(CCS(=O)(=O)NCC(=O)NCC#N)cc1 796221886 ZEFMDJBHQHCYRZ-UHFFFAOYSA-N 311.363 -0.203 30 20 DBED C=CCNC(=O)[C@@H](C)OC(=O)CCC[C@]1(C)NC(=O)NC1=O 801433419 JQVONQUBGXCEBD-OTYXRUKQSA-N 311.338 -0.011 30 20 DBED C#CCCCS(=O)(=O)N[C@@H](CC)C(=O)N1CCOCC1 805030903 NOAVUASDSGXLQL-LBPRGKRZSA-N 302.396 -0.043 30 20 DBED N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@H](CO)C2CC2)c1 810936868 DNNHNIFKIPRUHF-CYBMUJFWSA-N 323.374 -0.276 30 20 DBED C#CCNC(=O)CCN[C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O 819123700 ZZZPSHNCDRZMFR-WCQYABFASA-N 303.366 -0.357 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)Cn2ccc(C)n2)CC1 823084131 MXWXEUMPEFZHFQ-UHFFFAOYSA-N 303.366 -0.915 30 20 DBED C#CCN1CCN(C(=O)CN2CCC(CC(=O)O)CC2)CC1 825620312 ZZFMVBUGMHYCJK-UHFFFAOYSA-N 307.394 -0.050 30 20 DBED CN(C)CCCN(CCC#N)C(=O)Cn1cc(C(=O)O)nn1 830601118 TXOUWTHCSPTXHQ-UHFFFAOYSA-N 308.342 -0.330 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)C[C@H](O)CCC)CC1 831565707 YBWZDFFZZQMRHS-GFCCVEGCSA-N 317.411 -0.851 30 20 DBED N#C[C@H]1CNC[C@H]1NC(=O)Cn1c(=O)nc(O)c2ccccc21 834516768 LUGFSRJHRYSWLA-GXSJLCMTSA-N 313.317 -0.670 30 20 DBED C[C@@H](CC(=O)N[C@@H](C)CN)/N=C1/NS(=O)(=O)c2ccccc21 834605313 OXWGXNYHVRNNID-UWVGGRQHSA-N 324.406 -0.033 30 20 DBED C#CCNC(=O)CN1CCN(CCC(=O)N2CCCC2)CC1 846940130 XZHSYPHGZSANEF-UHFFFAOYSA-N 306.410 -0.634 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)Nc1cccn(C)c1=O 850724947 VZQPEVVRDOFZRO-UHFFFAOYSA-N 305.334 -0.178 30 20 DBED C#CC[C@@H](CO)NS(=O)(=O)C[C@@]1(OC(C)C)CCOC1 882341292 UAZWYCHWIWDKKH-QWHCGFSZSA-N 305.396 -0.126 30 20 DBED C#CCN1CCC[C@H](NC(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)C1 884218983 DNUMEOIZZAJRKX-AVGNSLFASA-N 308.382 -0.584 30 20 DBED C#CC1(O)CN(C(=O)c2nnn(Cc3cc(C)no3)c2C)C1 890525839 LQMFAZGHEAZPCP-UHFFFAOYSA-N 301.306 -0.249 30 20 DBED CCN(C[C@H](C)C#N)C(=O)COC(=O)CN1CCCNC1=O 919109417 WHKGGJAWRZQHRL-LLVKDONJSA-N 310.354 -0.047 30 20 DBED C#CCN1CCC[C@H](NC(=O)[C@@H](CCC)S(N)(=O)=O)C1 923559512 HBEYETURJVZNEC-NWDGAFQWSA-N 301.412 -0.343 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CCN1CCCC1=O 937231139 WGSGXUFVWSFRBL-AGIUHOORSA-N 318.377 -0.030 30 20 DBED C#CCN[C@@H]1CN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)C[C@H]1C 939333687 JAYHBBKYGRDGRL-ZYHUDNBSSA-N 314.349 -0.859 30 20 DBED C[C@@H](C#N)C(=O)N1CCCN(C(=O)CCn2cncn2)CC1 940279626 QFOYOHKDMORNBP-LBPRGKRZSA-N 304.354 -0.111 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CN2CC(=O)NC2=O)[C@H](C)C1 943676416 TZZUHMUGEQFTED-VXGBXAGGSA-N 306.366 -0.612 30 20 DBED Cc1cc(C(=O)NC[C@@H]2CN(C(=O)[C@@H](C)C#N)CCO2)nn1C 944504895 OPKMLTNUKWNBFO-CMPLNLGQSA-N 319.365 -0.155 30 20 DBED Cc1nn[nH]c1C(=O)NC[C@H]1CN(C(=O)[C@@H](C)C#N)CCO1 944700224 VXCXLNWEFDNEHC-WPRPVWTQSA-N 306.326 -0.770 30 20 DBED CN(C(=O)C1CC(=O)NC(=O)C1)[C@H]1CCCN(CC#N)CC1 948851851 CKWMXSWAWMLRQY-LBPRGKRZSA-N 306.366 -0.124 30 20 DBED NC(=O)CN1CCC2(CC1)CN(C(=O)C#CC1CC1)CCO2 949091785 FCRDQJUSAQZHIT-UHFFFAOYSA-N 305.378 -0.422 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@@H]2CNC(=O)c2cnn(C)n2)cn1 951088967 DVLUZIDZVPKRDW-CYBMUJFWSA-N 324.344 -0.164 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@]2(CCN(C(=O)Cn3ncnn3)C2)C1 953173937 REUSDGBWFUSBQG-RISCZKNCSA-N 317.353 -0.716 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(N(C)C(=O)Cn2ncnn2)CC1 953960443 ORNKMYISVWFEOW-JTQLQIEISA-N 305.342 -0.718 30 20 DBED C[C@@H](C#N)C(=O)N1CC(N(C)C(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1 954400726 DEBRVNDOJGKDHU-JFGNBEQYSA-N 306.366 -0.270 30 20 DBED CC#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cc3n(n2)CCC3)C1 958126111 HUGTVOGZHHJZNH-SWLSCSKDSA-N 302.378 -0.125 30 20 DBED N#CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1COC(=O)N1 960263837 BFBIJTOINFPCIE-FRRDWIJNSA-N 300.318 -0.010 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1csnn1 960669547 HQHMFSLFNLBTPP-INTQDDNPSA-N 321.362 -0.250 30 20 DBED O=C1NCC[C@@H]1C(=O)N1C[C@H]2CN(C(=O)C#CC3CC3)C[C@H]2C1 961541413 OESHJVUVIDLHHH-MJBXVCDLSA-N 315.373 -0.547 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2[C@@H]3CN([C@@H]4CCNC4=O)C[C@@H]32)nc1 962340619 IDTBKRCVICCFLB-OSRDXIQISA-N 310.357 -0.389 30 20 DBED C[C@H](C#N)C(=O)N1CCOC2(C1)CN(C(=O)[C@@H]1CCN(C)C1)C2 965469220 XBBWBCDHWMPPRE-CHWSQXEVSA-N 320.393 -0.462 30 20 DBED CN(C[C@@H]1CCCN(C(=O)C(N)=O)C1)C(=O)c1cc(C#N)c[nH]1 967399317 FAEZMRGASADUKM-JTQLQIEISA-N 317.349 -0.318 30 20 DBED CC#CCN1CC[C@H](C)[C@@H](NC(=O)c2cn(C)c(=O)nc2O)C1 968644014 VSHYZQHPFYLRQK-AAEUAGOBSA-N 318.377 -0.051 30 20 DBED Cc1ncccc1CC(=O)N[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1O 970626564 LIRGXULOPOXVLB-HONMWMINSA-N 316.361 -0.220 30 20 DBED C=CCn1cccc1C(=O)N[C@H]1[C@@H]2CN(C(=O)C(N)=O)C[C@@H]21 976696955 ZTZRJQKTCCEKCY-IAZYJMLFSA-N 302.334 -0.654 30 20 DBED C=CCCN1C[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C(C)(C)C1 977621088 HYOQYFWSJDJMNF-GFCCVEGCSA-N 320.397 -0.220 30 20 DBED C#CCN[C@H]1CCC[C@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)C1 981439173 AUJYQPMTUZPCNQ-RYUDHWBXSA-N 320.393 -0.033 30 20 DBED C=CCN[C@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)[C@@H]1C 987357694 ZQCDVPTZAZJLKJ-ZJUUUORDSA-N 302.338 -0.204 30 20 DBED C=CCN[C@H]1C[C@H](C)N(C(=O)c2cc(=O)n3[nH]cnc3n2)C1 989673131 SOCQTQQHKJMLCE-UWVGGRQHSA-N 302.338 -0.204 30 20 DBED CN1CCO[C@@H](C(=O)NC2CN(C(=O)c3ccc(C#N)[nH]3)C2)C1 990617715 PCQWNPSYMNSTTM-CYBMUJFWSA-N 317.349 -0.842 30 20 DBED N#Cc1c[nH]c(C(=O)NC2CN(C(=O)CC3OCCCO3)C2)c1 990697067 ZKMFJJVYSQNUSF-UHFFFAOYSA-N 318.333 -0.020 30 20 DBED O=C(N[C@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1O)c1ccnnc1 991818151 GMAKMJQXELHETE-KBPBESRZSA-N 314.345 -0.418 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)c3cncnc3O)C2)cn1 997101327 GKXQRCQPYSYFKE-UHFFFAOYSA-N 323.312 -0.187 30 20 DBED C=CCN1CC[C@@H](n2cc(CNC(=O)[C@H]3COCCO3)nn2)C1 999957237 UOIFPLJRYYTUBO-ZIAGYGMSSA-N 321.381 -0.258 30 20 DBED C#CCN1CC[C@@H](n2cc(CNC(=O)c3nc[nH]n3)nn2)C1 1000030005 PQPUHRWQEYQLKS-LLVKDONJSA-N 300.326 -0.794 30 20 DBED C#CCN1CCC(N(C)C(=O)[C@H]2CN(C(C)=O)CCO2)CC1 1006361307 MJQFANWAVZTGJE-OAHLLOKOSA-N 307.394 -0.210 30 20 DBED CC1(C)CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)[C@@H]1CCNC1=O 1008402545 RJIWFDISMJXIDT-CHWSQXEVSA-N 317.389 -0.111 30 20 DBED C#Cc1ccc(C(=O)N2C[C@@H](NC(=O)C(N)=O)C(C)(C)C2)cn1 1008523652 WHALGMGSOIAZEM-GFCCVEGCSA-N 314.345 -0.485 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C(=O)c2ccc(=O)n(C)c2)CC1 1011456144 NXEQCMAFNMRRDE-LLVKDONJSA-N 302.334 -0.171 30 20 DBED C=C(C)C(C)(C)C(=O)N1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 1011888333 ISHCERRJBPNNGC-NSHDSACASA-N 308.382 -0.059 30 20 DBED Cc1ccnn1CC(=O)NC1[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]12 1013103336 ATPUPETXRICVHJ-YUSALJHKSA-N 301.350 -0.076 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1[C@H]2CC[C@H]1CN([C@H](C)C(N)=O)C2 1017628248 IHFFDSHCLZRAMK-QPSCCSFWSA-N 318.421 -0.367 30 20 DBED Cn1nnc(CN[C@H]2C[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)n1 1020057654 DTOBWPLTBLOUJF-MGCOHNPYSA-N 300.326 -0.540 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CN(C(=O)c3cn[nH]c3)C[C@H]2O)c1 1023326854 BZJYFMHUCCIMRB-VXGBXAGGSA-N 314.305 -0.775 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H](N(C)Cc2nc(=O)n(C)[nH]2)C1 1027336895 VPNOZAQUUNWLTK-WDEREUQCSA-N 306.370 -0.309 30 20 DBED N#CCN1CC[C@H](CNC(=O)c2cn(C[C@@H]3CCOC3)nn2)C1 1028900080 UJCXGCMSVQEHHM-OLZOCXBDSA-N 318.381 -0.110 30 20 DBED CC#CCN1CCO[C@H](CNC(=O)c2cc3n(n2)CCO3)C1 1035399991 WUYBJCWKWLSRJP-GFCCVEGCSA-N 304.350 -0.271 30 20 DBED C=C(C)CN1C[C@H]2C[C@H]1[C@H]2NC(=O)Cn1ccc(=O)n(C)c1=O 1037427210 ZSEHYVYHZXRTHZ-XUJVJEKNSA-N 318.377 -0.688 30 20 DBED C#CCCN1CC[C@@H]1CNC(=O)[C@H]1C[C@H](OC)CN1C(C)=O 1038557735 GOTGHOUUPNHEQX-QLFBSQMISA-N 307.394 -0.164 30 20 DBED C#CCCCC(=O)NC[C@]1(O)CCN(C(=O)c2cnnn2C)C1 1039574659 WBCBZNHBXWIGHU-OAHLLOKOSA-N 319.365 -0.688 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@]1(O)CCN(C(=O)c2cnon2)C1 1039580717 YRMUBWFKLUIUSI-UONOGXRCSA-N 324.337 -0.910 30 20 DBED C#CCOCCC(=O)N1CC[C@](O)(CNC(=O)C2(C)CC2)C1 1040077120 WBOBQYTYRDXEHU-INIZCTEOSA-N 308.378 -0.094 30 20 DBED CC#CCCCC(=O)N1CC(O)(CNC(=O)C2=COCCO2)C1 1041328595 POSURJQLOZEOAA-UHFFFAOYSA-N 322.361 -0.242 30 20 DBED C#CCN1CC[C@@]2(CCN(C(=O)C[C@@H]3CC(=O)NC3=O)C2)C1 1041861830 URARBAOCFXXMKP-BLLLJJGKSA-N 303.362 -0.403 30 20 DBED CCOCCC(=O)NCC1(O)CN(C(=O)c2c[nH]c(C#N)c2)C1 1042004517 XVHUJYHQLPRPHH-UHFFFAOYSA-N 320.349 -0.384 30 20 DBED CCOCC(=O)N1CC(O)(CNC(=O)c2ccc(C#N)[nH]2)C1 1042606176 VAZCURIURFOKAA-UHFFFAOYSA-N 306.322 -0.774 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]3CC[C@H]2O3)C1 1042936832 QWCMBLGJJRJSDL-MGPQQGTHSA-N 320.389 -0.097 30 20 DBED Cn1cnc(C(=O)N2CC(O)(CNC(=O)C#CC(C)(C)C)C2)c1 1042966217 RYCVEQJQFUVKFB-UHFFFAOYSA-N 318.377 -0.227 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)c2nn(C)cc2C)C1 1042981665 AUVGXRONVGGFDH-UHFFFAOYSA-N 318.377 -0.165 30 20 DBED CC(C)(C)C#CC(=O)N1CC(O)(CNC(=O)Cn2nccn2)C1 1043212141 KZTJENKJWYEEHH-UHFFFAOYSA-N 319.365 -0.983 30 20 DBED Cc1c[nH]c(C(=O)N[C@@H]2CN(c3ccnc(C#N)n3)C[C@@H]2O)n1 1044632989 BHAVMAAFUDIMHL-ZJUUUORDSA-N 313.321 -0.641 30 20 DBED C[C@@H]1C[C@H](NCC#N)CCN1C(=O)CCn1ncn(C)c1=O 1044689189 NIFKOKCIPBQWMB-VXGBXAGGSA-N 306.370 -0.535 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)CCn2cccc2)C1 1045272977 SOPAEGZVQOSFKY-UHFFFAOYSA-N 321.377 -0.230 30 20 DBED C#CCN1CCC2(CC1)CO[C@H](CNC(=O)c1nnn(C)n1)C2 1045677683 YGDDTPOJICLIRB-LBPRGKRZSA-N 318.381 -0.556 30 20 DBED N#Cc1nccnc1N[C@H]1C[C@@H](CNC(=O)[C@H]2CCNC2=O)C1 1046529261 LAHJTAOCXJFWKN-AXFHLTTASA-N 314.349 -0.209 30 20 DBED C=C(C)CN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCN(C(C)=O)C2)C1 1047609602 KPNUEFSFGVPOTK-KKUMJFAQSA-N 309.410 -0.066 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H]([C@@H](C)NC(=O)CCOC)C1 1050492918 VTWSBQLGHMWADM-CHWSQXEVSA-N 323.393 -0.484 30 20 DBED C=CCCN1CCOC[C@H]1CNC(=O)C1CS(=O)(=O)C1 1050937649 VGHQPYAVOYDUMG-GFCCVEGCSA-N 302.396 -0.576 30 20 DBED C#CCCN1CCOC[C@@H]1CNC(=O)c1nc2ncccn2n1 1051174492 IYZRHHXXGUDFCS-LBPRGKRZSA-N 314.349 -0.422 30 20 DBED N#Cc1c[nH]c(C(=O)N2CCO[C@H](CNCc3cnon3)C2)c1 1051524100 QBSGVSCTLWUVFS-GFCCVEGCSA-N 316.321 -0.100 30 20 DBED N#Cc1cccnc1N1CC[C@H](NC(=O)c2cnn[nH]2)[C@H](O)C1 1051807313 UAJWEZCGPAJQEF-CMPLNLGQSA-N 313.321 -0.559 30 20 DBED C#Cc1ccc(C(=O)N2CCOC3(CN(C[C@H](C)O)C3)C2)cn1 1053511621 AJEWRAAMQWYTTL-ZDUSSCGKSA-N 315.373 -0.030 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)c3ccc(C(N)=O)nc3)CO2)C1 1054024443 PRWHPYUTTNTLIK-LBPRGKRZSA-N 314.345 -0.613 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H]2CN(C(=O)C(F)F)C[C@H]2C1 1055115963 KKYHEIDBEHRPTP-AOOOYVTPSA-N 313.304 -0.692 30 20 DBED C=CCCC(=O)N[C@@]1(CO)CCCN(C(=O)[C@@H]2CCNC2=O)C1 1055825464 IOQAOXQIWBWFDF-WBMJQRKESA-N 323.393 -0.442 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@](CO)(NC(=O)c2cnn(C)n2)C1 1056010580 BAFYFDSOZHCVED-QMTHXVAHSA-N 320.353 -0.942 30 20 DBED N#Cc1cnc(N2C[C@@H]3C(NC(=O)C4=COCCO4)[C@H]3C2)cn1 1056100320 OBBCTDKWUDZBOC-QWRGUYRKSA-N 313.317 -0.213 30 20 DBED CN1CCO[C@H](C(=O)N2CC[C@@H](Nc3cncc(C#N)n3)C2)C1 1056599916 USJRUHKOIBOOPV-YPMHNXCESA-N 316.365 -0.308 30 20 DBED C=CCOCCCC(=O)NCCN(CCO)C(=O)[C@H](C)OC 1057112469 LVJKOCJGHHYTPB-ZDUSSCGKSA-N 316.398 -0.059 30 20 DBED C#CCOCCC(=O)NCCN(CCO)C(=O)CC(F)(F)F 1057134907 JUKWGCFCCNSCEY-UHFFFAOYSA-N 324.299 -0.084 30 20 DBED Cn1nnc(C(=O)N2CCCN(c3ccnc(C#N)n3)CC2)n1 1057211306 ACNAYGCZIJCYBV-UHFFFAOYSA-N 313.325 -0.776 30 20 DBED O=C(C#CC1CC1)NCCN(CCO)C(=O)[C@H]1CC1(F)F 1057503233 GCOAFABQJBNLOX-LLVKDONJSA-N 300.305 -0.008 30 20 DBED COC(=O)[C@@H]1C[C@@H]1C(=O)NCCN(CCO)C(=O)C#CC(C)C 1057516977 FZHAQMSLSJVJOI-QWHCGFSZSA-N 324.377 -0.608 30 20 DBED Cn1nnc(C(=O)N[C@@H]2CCCN(c3cncc(C#N)n3)C2)n1 1058219226 NPNCJAJIWVKWTH-SECBINFHSA-N 313.325 -0.729 30 20 DBED CN1CCOC[C@@H]1C(=O)N[C@H]1CCN(c2cncc(C#N)n2)C1 1058318863 HREJTVWWNSRTCQ-WCQYABFASA-N 316.365 -0.626 30 20 DBED N#Cc1nccnc1N1CC[C@@H](NC(=O)[C@@H]2CCC(=O)NC2)C1 1058593949 DTTSHDRWQLNFAB-GHMZBOCLSA-N 314.349 -0.431 30 20 DBED CCc1c(C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N)cnn1C 1058653293 RJKOSMVCNFVZIW-NSHDSACASA-N 321.381 -0.307 30 20 DBED N#Cc1nc(=N[C@H]2CCN(C(=O)C[C@H]3CCNC3=O)C2)cc[nH]1 1058982823 HILBQELRZSKDDP-MNOVXSKESA-N 314.349 -0.691 30 20 DBED N#Cc1ccc(N[C@H]2C[C@@H](NC(=O)CN3CCOCC3)C2)nn1 1059600638 FXNIIGAZFHFZLJ-BETUJISGSA-N 316.365 -0.260 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCOC[C@H]1CNC(=O)c1cocn1 1061414919 KGXUUNXKUWXCIP-NWDGAFQWSA-N 321.333 -0.330 30 20 DBED N#Cc1ccc(C(=O)N2CCCC[C@@H]2CNC(=O)C(N)=O)[nH]1 1062130390 FRWVWSBSDIOOOO-SNVBAGLBSA-N 303.322 -0.517 30 20 DBED N#CCSCC(=O)NCC1(NC(=O)Cn2cncn2)CCC1 1062581856 PJBCVSMKLHQWME-UHFFFAOYSA-N 322.394 -0.310 30 20 DBED COCC(=O)N[C@H](C)C(=O)NCC1(NC(=O)[C@@H](C)C#N)CCC1 1063323925 CHENJZLWPYUCKR-WDEREUQCSA-N 324.381 -0.548 30 20 DBED C[C@@H](Nc1cncc(C#N)n1)[C@H]1CCCN(C(=O)C(N)=O)C1 1063904322 JNRRUKGGFYKCNI-ZJUUUORDSA-N 302.338 -0.127 30 20 DBED CCOCC(=O)N1CCO[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 1064808407 NNHNVTLQTBAWFZ-CYBMUJFWSA-N 320.349 -0.120 30 20 DBED Cc1nonc1C(=O)N1CCO[C@@H](CNC(=O)C#CC(C)C)C1 1065306632 SIQNINICIHCFEU-LBPRGKRZSA-N 320.349 -0.005 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(C(=O)c2cnco2)CCO1 1065386624 YTIKUULYVNUCLM-GFCCVEGCSA-N 321.333 -0.328 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CN(C(=O)Cc2ncc[nH]2)CCO1 1065521201 LCPYRZZFEPMQBZ-WDEREUQCSA-N 305.338 -0.545 30 20 DBED C[C@H](C#N)C(=O)N1CC2(C[C@@H](NC(=O)CC(C)(C)O)CO2)C1 1068842690 PSJJFGTUXVAYSC-GHMZBOCLSA-N 309.366 -0.207 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1COC2(C1)CN(C(=O)COC)C2 1068910283 HUKZNTPNGWAAEQ-RYUDHWBXSA-N 312.366 -0.290 30 20 DBED CCC(=O)NCC(=O)N1CC2(C[C@H](NC(=O)[C@H](C)C#N)CO2)C1 1069003960 QUYNEYSMZVMQEQ-MNOVXSKESA-N 322.365 -0.842 30 20 DBED C=CCN[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1c1cn(C)cn1 1070493236 PTFSOJHSIXVPSD-WCQYABFASA-N 316.369 -0.823 30 20 DBED N#CCN1CCOC[C@H]1c1n[nH]c(CNC(=O)c2cn[nH]c2)n1 1070580129 IMKZKWZPGBQSRZ-JTQLQIEISA-N 316.325 -0.645 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)[C@H]4OCCO[C@H]4C)C[C@@]3(C1)O2 1070813590 VIUVQHVIJACOCA-SOXILONMSA-N 320.389 -0.275 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H](NC(=O)C2(NC(N)=O)CC2)C1 1071227055 XWLGYRWOONZBBI-NXEZZACHSA-N 307.354 -0.546 30 20 DBED C#CCCCCC(=O)N[C@H]1CN(C(=O)Cn2cnnn2)C[C@H]1C 1071556677 LKWWQWDTESQIIW-OLZOCXBDSA-N 318.381 -0.170 30 20 DBED C#CCCCCC(=O)N1C[C@@H](NC(=O)Cn2cnnn2)[C@H](C)C1 1071922999 ZYSYHIBIBLQFCP-CHWSQXEVSA-N 318.381 -0.170 30 20 DBED C#CCCN1CCCO[C@@H](CNC(=O)[C@H]2CN(C)CCO2)C1 1073564024 PCYPRJFQHDAIRS-LSDHHAIUSA-N 309.410 -0.453 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)CCc3cnn(C)n3)C[C@H]21 1074339413 UAAMVTNPIMNFQL-HUUCEWRRSA-N 317.393 -0.317 30 20 DBED COC[C@@H](C)C(=O)N1CCC(O)(CNC(=O)[C@@H](C)C#N)CC1 1074514676 WTPQHRPFGCRZIP-NWDGAFQWSA-N 311.382 -0.102 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(C(=O)Cn2ncnn2)[C@@H](C)C1 1074894286 OGKHFNSHZBKIFR-RYUDHWBXSA-N 322.369 -0.629 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H](C)CCNC(=O)[C@H]1CCC(=O)N1 1075931230 NOJVOPPVFCRMSU-QJPTWQEYSA-N 311.382 -0.133 30 20 DBED C=C[C@](C)(O)CC(=O)NCC[C@H](C)NC(=O)C1(C(N)=O)CC1 1076304733 BASNBKPQFFLHOO-HZMBPMFUSA-N 311.382 -0.410 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2cc3c(cn2)OCCC3)C1 1078089610 LPJNXWBLDWFHQC-ZIAGYGMSSA-N 301.346 -0.185 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)c2ccc(C(N)=O)cc2)C1 1078165999 JXBUITHEPOLYDX-ZIAGYGMSSA-N 301.346 -0.416 30 20 DBED C[C@@H](CCNC(=O)c1ccc(C(N)=O)[nH]1)NC(=O)[C@@H](C)C#N 1078497464 KIGHCYYKIMPDDV-IUCAKERBSA-N 305.338 -0.102 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H](C)CCNC(=O)Cc1nc[nH]n1 1078595922 LJXOLCFQYJGELL-WDEREUQCSA-N 307.354 -0.604 30 20 DBED CCN(C(=O)C#CC1CC1)C1CN(C(=O)[C@H]2CC[C@@H]2C(N)=O)C1 1079743066 WYHZQKVCMZJMJQ-KBPBESRZSA-N 317.389 -0.029 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)c2ncc[nH]2)C[C@H]1O 1081441401 IDYJMSLBSVLMHA-VXGBXAGGSA-N 304.350 -0.238 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)Cc2cc[nH]n2)C[C@H]1O 1081442918 ZUVQHJNITUFOFY-GXTWGEPZSA-N 318.377 -0.309 30 20 DBED CC(=O)N(C)CC(=O)N1C[C@H](O)[C@H](CNC(=O)C#CC(C)C)C1 1081464151 WIGNWSPRXDPZLE-KGLIPLIRSA-N 323.393 -0.940 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)c2cnn[nH]2)C[C@H]1O 1081466930 ZFOKTYSPLFEKLZ-ZYHUDNBSSA-N 305.338 -0.987 30 20 DBED C=CC(C)(C)C(=O)NC[C@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1O 1081641940 ABRMDXLLJHLEAY-VHSXEESVSA-N 307.354 -0.434 30 20 DBED C=C(C)CN1C[C@@H](NC(=O)[C@@H]2CCCS2(=O)=O)[C@H](OC)C1 1082378737 UHDRUWQHOYQTDP-UPJWGTAASA-N 316.423 -0.045 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@@H](C1CC1)N1CCOCC1 1082379715 JIVLBYUGECLCBV-RBSFLKMASA-N 322.409 -0.564 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2cccc(-n3ccnc3)n2)C1 1083590884 ZMJIOYIBTIVFOQ-OLZOCXBDSA-N 312.333 -0.434 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2ccc3c(O)ncnc3c2)C1 1084063683 NINZWVLLHJAWHC-OLZOCXBDSA-N 313.317 -0.366 30 20 DBED C=C(Cl)CN1CC[C@H]1CN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 1085847658 ILMLUCNAXQBHAG-UWVGGRQHSA-N 314.773 -0.130 30 20 DBED C=C(Cl)CN1CC[C@@H]1CN(C)C(=O)[C@H]1CCS(=O)(=O)N1 1085976898 IQXLZYGPKONOOG-GHMZBOCLSA-N 321.830 -0.037 30 20 DBED C#CCN[C@@H]1CC[C@H](CNC(=O)C2CC3(C2)NC(=O)NC3=O)C1 1086824867 DCCUQKVRQHRUDN-BYHRKAOISA-N 318.377 -0.518 30 20 DBED C=CCN1CC[C@@H]2CN(C(=O)c3nnc(O)nc3O)C[C@@H]2C1 1088027789 FKDMEBRGTZFVDP-ZJUUUORDSA-N 305.338 -0.137 30 20 DBED N#CCN[C@H]1CCCCCN(C(=O)Cn2ccc(O)nc2=O)C1 1088343630 QZMDWDUACUPXJW-LBPRGKRZSA-N 319.365 -0.167 30 20 DBED Cn1c(O)ncc(C(=O)N2CCCCC[C@H](NCC#N)C2)c1=O 1088357658 HPPHHQNUJFRXLC-NSHDSACASA-N 319.365 -0.016 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2ccnn2CCOC)[C@@H](O)C1 1090349405 LWSMUBBMTDRGDR-HIFRSBDPSA-N 320.393 -0.282 30 20 DBED CN(C)CCCC(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1O 1090522910 VKFMTZVNNHUIBT-ZIAGYGMSSA-N 317.393 -0.039 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2ccc3nc(O)[nH]c3c2)[C@@H](O)C1 1090607553 WDULNUKCFUKCNX-YPMHNXCESA-N 315.333 -0.043 30 20 DBED CO[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1NC(=O)CNC(C)=O 1090857266 YAVOZYDCZYBEHA-ZIAGYGMSSA-N 317.349 -0.591 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CN(c2ncnc3[nH]cnc23)C[C@@H]1O 1091098702 HHFXLOVOIORWND-MNOVXSKESA-N 312.333 -0.568 30 20 DBED N#Cc1ccc(N2C[C@H]3C(NC(=O)CCCC(N)=O)[C@@H]3C2)nn1 1093277958 HTCLXLUZHZIJED-GHMZBOCLSA-N 314.349 -0.445 30 20 DBED Cc1cc(C#N)nc(NCCNC(=O)CCS(C)(=O)=O)n1 1094238786 HFETUHMEAYQMEB-UHFFFAOYSA-N 311.367 -0.381 30 20 DBED CC#CCN1CC(n2cc(CNC(=O)[C@H]3COCCO3)nn2)C1 1094276002 FQIGUPMQRWBERF-CQSZACIVSA-N 319.365 -0.810 30 20 DBED C[C@@]1(C(=O)NCCCNc2ccc(C#N)nn2)CCNC1=O 1094781312 VFQPUSZLPPYOIH-AWEZNQCLSA-N 302.338 -0.207 30 20 DBED CN1C[C@@H](C(=O)NCCCN=c2cc[nH]c(C#N)n2)CC1=O 1094847388 RTVSSPANRRFDBI-JTQLQIEISA-N 302.338 -0.833 30 20 DBED CN1C[C@H](C(=O)NCCCN(C)c2ccc(C#N)nn2)NC1=O 1095696718 LASXSLNYTNDNDG-LLVKDONJSA-N 317.353 -0.686 30 20 DBED C[C@H](C(=O)N[C@H]1C[C@@H](N=c2cc[nH]cc2C#N)C1)S(C)(=O)=O 1097264942 OSZZZCCNDLZVJC-JLLWLGSASA-N 322.390 -0.133 30 20 DBED CCN1CCOC[C@@H]1C(=O)NC[C@H](C)Nc1nccnc1C#N 1098128348 DITWVMFVFGXIMA-WCQYABFASA-N 318.381 -0.014 30 20 DBED C[C@H](CNC(=O)CN(C)C(=O)C1CC1)N=c1cc[nH]c(C#N)n1 1098329969 TYULYTCHUXDESC-SNVBAGLBSA-N 316.365 -0.445 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CC(=O)N(C)C1)Nc1cnc(C#N)cn1 1098346295 NNQVTBBEKSBETB-VHSXEESVSA-N 302.338 -0.257 30 20 DBED CNC(=O)CN(CCO)C1CCN(C(=O)C#CC2CC2)CC1 1098365517 WFADNWOIEUFCIB-UHFFFAOYSA-N 307.394 -0.569 30 20 DBED C=CCNCc1cn([C@H]2CCN(C(=O)Cn3cnnn3)C2)nn1 1098608638 ZWMPRTKEPAPHHW-LBPRGKRZSA-N 317.357 -0.986 30 20 DBED C#CCNCc1cn([C@@H]2CCN(C(=O)COCC=C)C2)nn1 1098644947 FYFNJBYAJKSUCG-CQSZACIVSA-N 303.366 -0.023 30 20 DBED C[C@H](CC(N)=O)C(=O)N1CC[C@H](n2cc(CNCC#N)nn2)C1 1098697638 JYPWNUJQAXZJGU-PWSUYJOCSA-N 319.369 -0.824 30 20 DBED CN(CCNC(=O)CCN1CCCC1=O)c1ccnc(C#N)n1 1100140641 XKRAEMLBQVZERB-UHFFFAOYSA-N 316.365 -0.087 30 20 DBED CN(CCNC(=O)c1cc(=O)n(C)cn1)c1ccc(C#N)cn1 1100390045 TWBRSIHCPDGGPJ-UHFFFAOYSA-N 312.333 -0.087 30 20 DBED COCC#CCNC1CC(CNC(=O)[C@H]2CCCC(=O)N2)C1 1100428740 JMVWHDLUFIKMCP-JXQTWKCFSA-N 307.394 -0.211 30 20 DBED CCN(CCNC(=O)[C@H]1COCCN1C)c1cnc(C#N)cn1 1100491537 HLJNIQSWQHSRGY-CYBMUJFWSA-N 318.381 -0.379 30 20 DBED C=CCOCC(=O)NC[C@H]1CCCN1c1nccn2nnnc12 1100807665 IHWYGJUTWBRJAN-LLVKDONJSA-N 317.353 -0.193 30 20 DBED CCN(C)CCC(=O)NCC1CC(NCC(=O)NCC#N)C1 1100829623 DBCOBKBZURMEHH-UHFFFAOYSA-N 309.414 -0.548 30 20 DBED C[C@H](NC(N)=O)C(=O)NC[C@@H]1CCN(c2ccncc2C#N)C1 1100969521 XHOMETFOLYQPIP-QWRGUYRKSA-N 316.365 -0.047 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H]2CN(CC#CC)C[C@@]2(C)C1 1101207729 QJDXVYBAAAZTPT-PBHICJAKSA-N 301.390 -0.071 30 20 DBED Cn1ncc(C(=O)NCCN(c2ccnc(C#N)n2)C2CC2)n1 1101362674 YQLMYVMKTXORQY-UHFFFAOYSA-N 312.337 -0.124 30 20 DBED C=CCN1CC2(C[C@H](NC(=O)C3(C(N)=O)CC3)c3nccn32)C1 1101641506 RWGVADSQKWOIIR-NSHDSACASA-N 315.377 -0.094 30 20 DBED COCC#CCN1C[C@@H](C)[C@H](CNC(=O)[C@H]2COCCO2)C1 1101747524 VQCZLQLFQHLQAZ-RBSFLKMASA-N 310.394 -0.264 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](C)[C@H](CNC(=O)c2cn[nH]c2)C1 1101758422 PTBDXDWPWXTBJP-YRGRVCCFSA-N 317.393 -0.155 30 20 DBED C#CCN1C[C@@H](C)[C@H](CNC(=O)CCn2cnccc2=O)C1 1102489284 BAPGUAOFCPEBCX-ZIAGYGMSSA-N 302.378 -0.049 30 20 DBED CN(CCN(C)c1cncc(C#N)n1)C(=O)C[C@@H]1CCNC1=O 1105483314 IYZXUUFLOXOLAZ-NSHDSACASA-N 316.365 -0.231 30 20 DBED Cc1cc(C#N)nc(NC[C@H](O)CNC(=O)[C@@H]2CCCO2)n1 1105737610 IHMSUBPWPMDROG-NEPJUHHUSA-N 305.338 -0.275 30 20 DBED C#Cc1ccc(C(=O)NC[C@H](O)CNc2cncc(C#N)n2)nc1 1105908235 KXEFJRKBSFKNLY-CYBMUJFWSA-N 322.328 -0.073 30 20 DBED CN1CC[C@H](CC(=O)NC[C@@H](O)CNc2ccc(C#N)nn2)C1 1105914147 POJKMSBOUWETDW-YPMHNXCESA-N 318.381 -0.421 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)CO[C@H]2CCOC2)nc1 1105972405 IZCVGHNROCOOHO-OLZOCXBDSA-N 320.349 -0.352 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)CCc2ccon2)nn1 1106019958 UNIQXGMGLUWSBV-GFCCVEGCSA-N 316.321 -0.142 30 20 DBED C[C@@H]1CCN(CC(=O)NC[C@H](O)CN=c2cc[nH]c(C#N)n2)C1 1106103800 CPDDACYAZLMRJJ-VXGBXAGGSA-N 318.381 -0.999 30 20 DBED C[C@@H]1CCO[C@@H]1C(=O)NC[C@@H](O)CNc1cnc(C#N)cn1 1106121587 CPFOPKLLBGHYNZ-CDMKHQONSA-N 305.338 -0.338 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](O)CNc1cnc(C#N)cn1 1106124761 ARUOTNGULGRKFD-XQQFMLRXSA-N 317.349 -0.172 30 20 DBED C=CCn1cc(C(=O)NC[C@H](O)CNc2nc(C)ns2)nn1 1106132160 USCYZFYPXYLQEJ-VIFPVBQESA-N 323.382 -0.173 30 20 DBED C[C@@H]1CN(C(=O)CCn2cc[nH]c(=O)c2=O)C[C@H]1CNCC#N 1106769617 CZOWYSJELSUHAX-VXGBXAGGSA-N 319.365 -0.866 30 20 DBED CN(C)[C@H](C(=O)NCc1cn(C2CN(CC#N)C2)nn1)C1CC1 1107179613 NUHQININHYOBPF-AWEZNQCLSA-N 317.397 -0.385 30 20 DBED CNC(=O)NCC(=O)NC/C=C/CNc1nc(C)cc(C#N)n1 1107572146 STCJNLRHEDQIEV-ONEGZZNKSA-N 317.353 -0.330 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)[C@H]2CN(C(C)C)CCO2)C1 1108158499 GLNGHTYEPGBXEV-NVXWUHKLSA-N 323.437 -0.064 30 20 DBED C[C@@H](C(=O)N[C@H](C)CN=c1cc[nH]cc1C#N)S(C)(=O)=O 1108195237 SLIZGIKEYVEBKG-ZJUUUORDSA-N 310.379 -0.275 30 20 DBED C=CCN1CCO[C@@](C)(CNC(=O)C[C@H]2CC(=O)NC2=O)C1 1108447596 WLUCXEWCLWSCGH-NHYWBVRUSA-N 309.366 -0.568 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H]1CC(=O)N(C2CN(CC#C)C2)C1 1108546566 YFYZSKIRQHCDQO-OLZOCXBDSA-N 303.362 -0.941 30 20 DBED COC(=O)NCC(=O)N[C@H](C)CN(C)c1nccnc1C#N 1108831325 HESVHJVAHSOZBX-SECBINFHSA-N 306.326 -0.355 30 20 DBED C[C@@H](CN(C)c1cncc(C#N)n1)NC(=O)Cc1nc[nH]n1 1109081378 RYXXDJMGFFNNOA-VIFPVBQESA-N 300.326 -0.350 30 20 DBED C[C@@H](CN(C)c1cncc(C#N)n1)NC(=O)[C@H]1CCC(=O)NC1 1109305958 WSLVQEXAIWAIHB-QWRGUYRKSA-N 316.365 -0.185 30 20 DBED N#Cc1cnc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)CNC(N)=O)c(F)c1 1109680081 VBDDPJQLOUKLQA-UBHAPETDSA-N 318.312 -0.546 30 20 DBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cc1cnc[nH]1 1109762135 JVTMLRDYOQRLCE-RDBSUJKOSA-N 317.393 -0.024 30 20 DBED C=CCNC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cnn[nH]1 1110761502 ZCDMHDRUQBPFNW-UZWSLXQKSA-N 318.381 -0.170 30 20 DBED CN(C)C(=O)CC(=O)N[C@]1(C)CCN(c2cncc(C#N)n2)C1 1110818302 YGICEUFXSWKCHB-OAHLLOKOSA-N 316.365 -0.088 30 20 DBED CC[C@H](OC)C(=O)NC[C@]1(O)CCN(c2nccnc2C#N)C1 1111044094 SEORITOGFYWRCK-SWLSCSKDSA-N 319.365 -0.169 30 20 DBED N#Cc1c[nH]ccc1=NCCN(CCO)C(=O)c1cc[nH]n1 1111426643 GCMFHLIPKPHREO-UHFFFAOYSA-N 300.322 -0.355 30 20 DBED Cc1nc[nH]c1C(=O)N(CCO)CCNc1cnc(C#N)cn1 1111488060 WEUBPUGBCKAWLC-UHFFFAOYSA-N 315.337 -0.074 30 20 DBED C#CCNC(=O)CC(=O)N1CCN(C[C@@H]2C[C@@]23CCOC3)CC1 1112777537 BIQGHSIDBBJNPU-WMLDXEAASA-N 319.405 -0.303 30 20 DBED C#CCOCCC(=O)N1CCN(Cc2cnnn2CC)CC1 1112842982 IBEUZLBGQBKBPT-UHFFFAOYSA-N 305.382 -0.018 30 20 DBED C[C@@H](N=c1cc[nH]c(C#N)n1)[C@@H](C)NC(=O)c1cnn(C)n1 1113092223 VHTYQTVRCMMOTO-RKDXNWHRSA-N 300.326 -0.482 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)c3ncoc3C)[C@H]2C1 1113952525 FPTACIXNZSPBNK-DLOVCJGASA-N 316.361 -0.219 30 20 DBED N#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3ccnc(O)c3)[C@H]2C1 1114138961 JQSFVQTWEWOEPK-YABSGUDNSA-N 315.333 -0.913 30 20 DBED C=C(C)CCN1C[C@@H]2C(NC(=O)CNS(=O)(=O)CC)[C@H]2C1 1114363436 DBLBTUXASZVZAC-RYUDHWBXSA-N 315.439 -0.062 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)Cn3ccnc3)[C@H]2C1 1115341889 MGYFBZVPPHBFDG-CXTNEJHOSA-N 315.377 -0.933 30 20 DBED C#CCC[C@H](O)CNC(=O)NCCOCCS(C)(=O)=O 1116896748 AAIBDVHQNNRDAU-NSHDSACASA-N 306.384 -0.879 30 20 DBED COCCCC(=O)NC[C@H](CO)Nc1nc(C)cc(C#N)n1 1121106428 IIHUEFFRIWDAQA-GFCCVEGCSA-N 307.354 -0.028 30 20 DBED N#Cc1cccnc1N[C@@H](CO)CNC(=O)[C@H]1COCCO1 1121137095 TXHSRZPRUKYXRY-VXGBXAGGSA-N 306.322 -0.742 30 20 DBED COC(=O)c1cnc(N[C@@H](CO)CNC(=O)[C@H](C)C#N)nc1 1121212538 GRESZDUNWHNOLP-PSASIEDQSA-N 307.310 -0.688 30 20 DBED COC[C@@H](C)C(=O)NC[C@@H](CO)N=c1cc(C)[nH]cc1C#N 1121324718 PRZROOCBORSPDA-MFKMUULPSA-N 306.366 -0.145 30 20 DBED C[C@@]1(C(=O)NC[C@@H](CO)Nc2nccnc2C#N)CCOC1 1121914991 VWRHALVZIXTCKW-IINYFYTJSA-N 305.338 -0.336 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H](CO)Nc1nccnc1C#N 1122034769 DNXGDSJPUKTGCU-WDEREUQCSA-N 303.322 -0.724 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H](CO)CNC(=O)c1cnnc(O)c1 1122158513 RGFLRTNQGKFECQ-LLVKDONJSA-N 314.305 -0.926 30 20 DBED Cc1n[nH]cc1C(=O)NC[C@@H](CO)Nc1ccc(C#N)nn1 1122293525 MKRSBFBKOJBVGP-JTQLQIEISA-N 301.310 -0.417 30 20 DBED C/C(=C\C(=O)N1CCOC[C@@H]1C#N)C(=O)N1CCOC[C@H]1C#N 1123521671 PZKSMAYFYPQIFG-OAIDTJHVSA-N 318.333 -0.565 30 20 DBED C#CCSCC(=O)N[C@@H]1CCN(c2cc(=O)n(C)c(O)n2)C1 1123977308 HAPUDZZOQAZFFV-SNVBAGLBSA-N 322.390 -0.453 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)[C@H]1CCCOC1 1124163744 LKJSZLUQMBGHTE-NWDGAFQWSA-N 319.365 -0.572 30 20 DBED C[C@@H](CC(N)=O)C(=O)N(C)C[C@H](O)CN=c1cc[nH]cc1C#N 1124689605 WFVQUNNDMFHVAT-CMPLNLGQSA-N 319.365 -0.882 30 20 DBED COC[C@H](OC)C(=O)N(C)C[C@H](O)CNc1cnc(C#N)cn1 1124722324 XXIBAPUERQCDCW-NEPJUHHUSA-N 323.353 -0.759 30 20 DBED C#CCCCC(=O)NCCNCC(=O)NCC(=O)N1CCCC1 1126357116 VWZLKABIVRBEEA-UHFFFAOYSA-N 322.409 -0.766 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)C#CC(C)C 1126834090 JSYHWWFJHYPHDF-LBPRGKRZSA-N 308.382 -0.248 30 20 DBED CSCC(=O)NCc1nc([C@@H]2COCCN2CC#N)n[nH]1 1130823829 XVMLVEWTKCHGBL-VIFPVBQESA-N 310.383 -0.319 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1C[C@H]1c1ccnn1C 1131636944 UQNRNQQKLGVNMY-JHJVBQTASA-N 319.409 -0.080 30 20 DBED Cc1c[nH]c(C(=O)N[C@H]2CC[C@H](C)N(CC(=O)NCC#N)C2)n1 1132348376 LNNMNZOTYLTLKN-RYUDHWBXSA-N 318.381 -0.059 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)c2nc[nH]n2)CC[C@@H]1C 1133178675 VXUZXGCXFIUUFC-NWDGAFQWSA-N 318.381 -0.758 30 20 DBED C[C@@H](C[C@@H](C)NCC(=O)NCC#N)NC(=O)c1ccc(O)nn1 1133610604 HNECYIADUHKIPL-ZJUUUORDSA-N 320.353 -0.692 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)c1nnn(C)c1C 1133994732 WJKPQEBTOZOVEM-GHMZBOCLSA-N 320.397 -0.641 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1ccc(OC)c(OC)c1 1149662091 WUGLQUKMCSQHII-UHFFFAOYSA-N 319.361 -0.227 30 20 DBED C=CCNC(=O)CN1CCCO[C@@H](CNC(=O)C#CC2CC2)C1 1149687592 PZZYREJJIJOWBI-HNNXBMFYSA-N 319.405 -0.091 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)[C@@H]2CCC(=O)N(C)C2)C1=O 1152509125 QNPRVGNIBVPAHX-CHWSQXEVSA-N 322.409 -0.653 30 20 DBED CCN(CC#N)[C@H](C)CNC(=O)[C@@H](CCC(N)=O)NC(C)=O 1155857406 SBMUCZAXVUTWNN-ZYHUDNBSSA-N 311.386 -0.893 30 20 DBED C#CCN(CC)[C@H](C)CNC(=O)CN1C(=O)NC(=O)C1(C)C 1156182751 FAYXMTHVDBONBU-LLVKDONJSA-N 308.382 -0.223 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCCN[C@H](C)C(=O)NC(=O)NC 1157202868 YWCOIFMARUWJFC-QMTHXVAHSA-N 314.386 -0.747 30 20 DBED C=CCOCC(=O)NCCC1(CN[C@H]2CCC(=O)NC2=O)CC1 1163803898 BYNUJKNUWQVVLS-LBPRGKRZSA-N 323.393 -0.130 30 20 DBED C=CCNC(=O)CNCC1(CCNC(=O)[C@H]2CCC(=O)N2)CC1 1163803931 CWZOTFJXCAKXJA-GFCCVEGCSA-N 322.409 -0.557 30 20 DBED C[C@@H](CCCCNCC(=O)NCC#N)NC(=O)c1cn(C)cn1 1170170182 VWSUXWQRINMDLO-LBPRGKRZSA-N 320.397 -0.062 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)C12CCN(CC1)C2 1171303627 ULGRFMCLWPFDBM-ZDUSSCGKSA-N 306.410 -0.684 30 20 DBED C=CCCO[C@H](C)C(=O)N1CC[C@@H](NCc2nc(=O)n(C)[nH]2)C1 1181475921 KESJPBIIZRBBNK-VXGBXAGGSA-N 323.397 -0.220 30 20 DBED N#CCNC(=O)CN[C@@H]1CCN(C(=O)c2ccncc2F)C1 1181801463 DNAKTJKSUKEOMB-SNVBAGLBSA-N 305.313 -0.335 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H](C)n2cccc2)C1 1182024770 VCSWMPASYKPWGK-UONOGXRCSA-N 302.378 -0.011 30 20 DBED C[C@H](CC(=O)N1CC[C@@H](NCC(=O)NCC#N)C1)n1cccn1 1186885492 FPWUHUSPHANUJT-CHWSQXEVSA-N 318.381 -0.336 30 20 DBED N#CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3cccnn3)[C@@H]2C1 1189498179 OHKQRHUAOWIOCU-WCQYABFASA-N 314.349 -0.737 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](N(C)Cc2nnnn2C)C1 1190120682 KWENBMCQUXRUPF-GFCCVEGCSA-N 306.370 -0.717 30 20 DBED C#CCCCC(=O)N[C@@H]1CN([C@@H]2CCCN(C)C2=O)C[C@H]1O 1192503675 ICRNCHVGOUILRO-MGPQQGTHSA-N 307.394 -0.428 30 20 DBED C#CCCN(C)[C@@H]1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)C1 1192631570 FPSCGNASBYUFNI-GFCCVEGCSA-N 318.377 -0.746 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)CN2CCCC2)CC1 1198105959 NWVXWWKTZOXABJ-UHFFFAOYSA-N 308.426 -0.081 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)C(=O)Nc2cc(C)on2)C1 1198646230 YNCFQAWINIVXBT-GHMZBOCLSA-N 306.322 -0.894 30 20 DBED C#CCNC(=O)CNC[C@H]1CN(C(=O)CC2CC2)CCCO1 1199673666 XAKUWCFLABVSHN-AWEZNQCLSA-N 307.394 -0.257 30 20 DBED C=C(C)CCNC[C@H]1CN(C(=O)Cn2cnnn2)CCCO1 1199787674 PHZSIPGJMYWMGM-ZDUSSCGKSA-N 308.386 -0.154 30 20 DBED C#CCNC(=O)CNC[C@H]1CN(C(=O)[C@H](C)C2CC2)CCCO1 1200189996 MKMAOHAHCTXVJS-HIFRSBDPSA-N 321.421 -0.011 30 20 DBED C#CCNC(=O)CC(=O)N1CCCO[C@@H](CNCC(C)C)C1 1200330029 SFYLWIRYVJZDNM-AWEZNQCLSA-N 309.410 -0.011 30 20 DBED C=CCNC1CCN(C(=O)CN(C)S(=O)(=O)N(C)C)CC1 1200540770 FLEHGQZGSQTUOK-UHFFFAOYSA-N 318.443 -0.509 30 20 DBED C#CCNC[C@H]1CN(C(=O)CN(C)C(=O)C(C)C)CCCO1 1200634850 MXXCEFLGMISUAB-AWEZNQCLSA-N 309.410 -0.059 30 20 DBED N#CCNC[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)CCCO1 1201041583 DJDAREBJPCCPFP-LJISPDSOSA-N 323.393 -0.231 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)[C@H]2C[C@H](C)CO2)CC1 1201695310 WXUOMKMREIHIDJ-GXTWGEPZSA-N 307.394 -0.259 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)c2c(C)cnn2C)CC1 1202046614 QPJJGJUBJFLQFX-UHFFFAOYSA-N 317.393 -0.328 30 20 DBED C#CCNC[C@H]1CN(C(=O)[C@H](CC(C)C)C(N)=O)CCCO1 1202249737 DPJAGBIHEOAVAD-UONOGXRCSA-N 309.410 -0.026 30 20 DBED C=CCn1cc(C(=O)N2CCC(NCC(=O)N(C)C)CC2)nn1 1202827219 VEPPHLRUZKBZKE-UHFFFAOYSA-N 320.397 -0.254 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)c2cc(=O)n(C)o2)[C@H](C)C1 1206899499 MJPKCJXPBCPYRF-GHMZBOCLSA-N 322.365 -0.669 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)CCC(=O)NCC)C1 1207660779 OIZVDHBCMVLGJE-ZDUSSCGKSA-N 324.425 -0.215 30 20 DBED C=C(C)CN(CC)C(=O)[C@H](C)N[C@H]1CCCN(C(=O)C(N)=O)C1 1209365608 JNGVONJSCGORJQ-STQMWFEESA-N 324.425 -0.135 30 20 DBED C=CCCN[C@@H]1CCCN(C(=O)CNS(=O)(=O)N(C)C)C1 1209883933 QHWJJXVWLCLILZ-GFCCVEGCSA-N 318.443 -0.461 30 20 DBED C=CCCN[C@@H]1CCCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 1211112392 IOFLNFOUHNZLFW-NEPJUHHUSA-N 301.412 -0.165 30 20 DBED C=CCOCCN1C[C@@H](NC(=O)C2(C(N)=O)CC2)[C@H](OC)C1 1213367530 VCZIIKQDBXUNGA-VXGBXAGGSA-N 311.382 -0.730 30 20 DBED C#CCOCCC(=O)N1C[C@@H](N[C@H](C)C(=O)N(C)C)[C@H](C)C1 1214611038 MGYVHQGLPFQXDL-MGPQQGTHSA-N 309.410 -0.061 30 20 DBED C=C(C)CCN[C@@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@H]1C 1215303139 QOGNSCYRLDVMSH-ZIAGYGMSSA-N 308.426 -0.179 30 20 DBED C#CCNC(=O)CC(=O)N1CCO[C@@H]2CN(C[C@H](C)OC)C[C@@H]21 1217684448 NVQSVWDOKKISTG-MELADBBJSA-N 323.393 -0.928 30 20 DBED C[C@@H](NC(=O)c1ccoc1)C(=O)N[C@@H]1CN(CC#N)C[C@@H]1O 1219683910 HFUSFCYLRLFFBQ-JLLWLGSASA-N 306.322 -0.917 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)C)C1 1220112295 CALQMFDSKMONAR-UPJWGTAASA-N 309.410 -0.278 30 20 DBED CCCCCCCN1C[C@H](O)[C@H](NC(=O)c2nnn(C)n2)C1 1220165933 NYYXRQGUJXEFJR-NEPJUHHUSA-N 310.402 -0.045 30 20 DBED C=CCCCN1C[C@H](O)[C@H](NC(=O)Cn2nc(C)ccc2=O)C1 1220815091 AOJGJGJVNRENBN-KGLIPLIRSA-N 320.393 -0.321 30 20 DBED COCC#CCN1CCC(CNC(=O)[C@@H]2CC(=O)N(C)C2)CC1 1223362790 PRYRRYJDVQNBLQ-OAHLLOKOSA-N 321.421 -0.057 30 20 DBED N#CCN1CCS(=O)(=O)[C@@H](CCNC(=O)C#CC2CC2)C1 1230461793 GLQLVTLDSIQXNQ-ZDUSSCGKSA-N 309.391 -0.471 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)CNC(=O)CCC 1231016068 YWKVGEHFBNYVAS-CYBMUJFWSA-N 322.409 -0.815 30 20 DBED C=CCN(CCOC)C(=O)C(=O)NC1CCN(C(C)=O)CC1 1256892858 XKZLWCCHUIBBAT-UHFFFAOYSA-N 311.382 -0.226 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(CC(N)=O)cc2)CCO1 1318333409 RMPWKGRTLNTKSK-GFCCVEGCSA-N 316.317 -0.596 30 20 DBED Cc1[nH]c2ccnn2c(=O)c1CC(=O)OCC(=O)NCC#N 1318573811 WNLCBDKMBYCMOG-UHFFFAOYSA-N 303.278 -0.944 30 20 DBED N#CCn1cc(NC(=O)C(=O)N2CC[C@H](N3CC=CC3)C2)cn1 1319556481 ACKGUUIJFZLSBT-ZDUSSCGKSA-N 314.349 -0.182 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1C[C@@H](COC)O[C@H](C)C1 1323528475 QLTRTQOJUXZAIW-UTUOFQBUSA-N 300.355 -0.434 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cnn(C)c1C 1323689105 WBJRSLUMYKIQJO-UHFFFAOYSA-N 314.367 -0.616 30 20 DBED C=CC[C@@H](NC(=O)Cn1nnc2ccccc2c1=O)C(=O)O 1325142526 FOXXOZOHSURHNF-LLVKDONJSA-N 302.290 -0.063 30 20 DBED N#CCCC[C@H](N)C(=O)N1CCC[C@H](C(=O)N2CCNCC2)C1 1329465599 PVPSPAAUCOKSTR-KBPBESRZSA-N 321.425 -0.322 30 20 DBED C=C(C)Cn1nnnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1333674875 ZAGSRBPTQHJXAL-CYBMUJFWSA-N 319.413 -0.008 30 20 DBED COCCN(CCO)C(=O)C(=O)Nc1cc(C)nn1CCC#N 1343320980 FZHVEILHBVJDJS-UHFFFAOYSA-N 323.353 -0.489 30 20 DBED C#CCN(C(=O)C(=O)N[C@H]1CCc2nnnn2CC1)C(C)C 1351488843 BQVBLHJUYUMPCU-NSHDSACASA-N 304.354 -0.636 30 20 DBED C#CCOCCn1nnnc1N1CC[C@@H](CS(C)(=O)=O)C1 1352526404 GGTWFYOTJBUTHC-LLVKDONJSA-N 313.383 -0.806 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CCN(c2cc(=O)n(C)c(O)n2)C1 1353141680 HIHCYAHIKORTKQ-GHMZBOCLSA-N 320.349 -0.781 30 20 DBED CN(Cc1cscn1)C(=O)Cn1cc(C#N)c(O)nc1=O 1362154209 ZDYIJEWWMKENCV-UHFFFAOYSA-N 305.319 -0.064 30 20 DBED Cc1nonc1CNC[C@H](O)CNC(=O)c1cc(C#N)c[nH]1 1374597626 VZBGLIGGBBBBSN-JTQLQIEISA-N 304.310 -0.542 30 20 DBED C[C@H](C#N)C(=O)NCCN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)C1CC1 1387529434 YIXZLVBYAPXKAQ-ADEWGFFLSA-N 322.365 -0.714 30 20 DBED CCn1cc(C(=O)NCCN(C)c2ccc(C#N)nn2)nn1 1387822798 IIZMHEJGQSLWCU-UHFFFAOYSA-N 300.326 -0.174 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)Cn2ccccc2=O)CC1 1389957426 HCAFHISZIYBSSZ-NSHDSACASA-N 302.334 -0.227 30 20 DBED COc1cccc(CN2CC(O)(CNC(=O)[C@@H](C)C#N)C2)n1 1393307532 XHGLAMBPCGEDDM-NSHDSACASA-N 304.350 -0.087 30 20 DBED C=C(Cl)CN1CC[C@@H](N(C)C(=O)CS(=O)(=O)NC)C1 1400743160 SUNHTNUNTOJKPQ-SNVBAGLBSA-N 309.819 -0.179 30 20 DBED Cc1cnn(C)c1C(=O)N(C)C[C@H](O)CNC(=O)[C@@H](C)C#N 1413316299 NABMQZARJVBXIF-GXSJLCMTSA-N 307.354 -0.563 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCNC(=O)c1ccc(C(N)=O)cn1 1415536355 LBSCITXNDKRNCH-VIFPVBQESA-N 303.322 -0.472 30 20 DBED C[C@H](C#N)C(=O)NC1CN(C(=O)C2(S(C)(=O)=O)CCC2)C1 1416047936 VMEWEBQIUYYOPK-SECBINFHSA-N 313.379 -0.560 30 20 DBED C[C@@H](C#N)C(=O)NCCN1CCN(CC(=O)NCC2CC2)CC1 1419128151 LMHKEJFFJXJHGK-ZDUSSCGKSA-N 321.425 -0.594 30 20 DBED COc1cc(CCC(=O)NC[C@@H](O)CNC(=O)[C@H](C)C#N)on1 1431535813 FFKAVOUSRVFCLH-NXEZZACHSA-N 324.337 -0.631 30 20 DBED CNC(=O)NC(=O)CN1CCC(C)(NC(=O)[C@H](C)C#N)CC1 1439799842 YJAKVTPMFZVPHT-SNVBAGLBSA-N 309.370 -0.428 30 20 DBED C[C@@H](CNC(=O)c1cn(C)c(=O)n1C)N(C)C(=O)[C@H](C)C#N 1449979431 MTBWRQQPDRADQY-ZJUUUORDSA-N 307.354 -0.540 30 20 DBED CC(C)[C@@H](O)C(=O)N(C)CCN1CCN(C(=O)[C@@H](C)C#N)CC1 1450099309 URPYOSOWEMQURA-UONOGXRCSA-N 324.425 -0.234 30 20 DBED C[C@H](CNC(=O)c1cc2n(n1)CCO2)CNC(=O)[C@@H](C)C#N 1451614697 XVXWEZZMWBBCBL-UWVGGRQHSA-N 305.338 -0.083 30 20 DBED N#Cc1ncn(CC(=O)NC2CCN([C@@H]3CCOC3)CC2)n1 1470312161 LZVAUVILIQSZOY-GFCCVEGCSA-N 304.354 -0.481 30 20 DBED N#Cc1ccc(CNC[C@H](O)CNC(=O)Cc2nc[nH]n2)s1 1497090257 CCKXDXGGNLIFBI-VIFPVBQESA-N 320.378 -0.453 30 20 DBED C[C@H](C#N)C(=O)N1CCC2(CCN(CC(=O)NC(N)=O)CC2)C1 1499578619 RKZFJANPQRXVEX-LLVKDONJSA-N 321.381 -0.345 30 20 DBED C#CCOCCC(=O)N[C@H]1CCN(C(=O)CCNC(N)=O)[C@@H]1C 1573493703 NMVJKPPARDNLJA-NEPJUHHUSA-N 324.381 -0.810 30 20 DBED N#C[C@H]1CN(C[C@H](O)CC2(O)CCC(C(=O)O)CC2)CCO1 1574242873 ZOAFBTIYOGRZJB-ICRTXTNUSA-N 312.366 -0.032 30 20 DBED C[C@H](C(=O)NCC1(C(=O)O)CCOCC1)n1cnc(C#N)n1 1589407256 QDKSJBHHJIWFJZ-SECBINFHSA-N 307.310 -0.292 30 20 DBED N#Cc1nc(N2CCC(CO)(CO)CC2)cnc1-c1nn[nH]n1 1592705103 VJVUFPBUSQTRRP-UHFFFAOYSA-N 316.325 -0.900 30 20 DBED N#CCN(CCC(=O)O)C(=O)Cn1nc2ccccn2c1=O 1601069420 CPEUJYXWCYFFJW-UHFFFAOYSA-N 303.278 -0.677 30 20 DBED N#Cc1cn(CCC(=O)N2C[C@@H](F)C[C@H]2C(=O)O)c(=O)nc1O 1601128881 DNRBWSCUZPEBEC-IUCAKERBSA-N 324.268 -0.766 30 20 DBED C#CCn1cc(CNC(=O)CN2CCC[C@H](C(=O)O)C2=O)cn1 1602738118 KJIYJOHXAVAGNS-LBPRGKRZSA-N 318.333 -0.544 30 20 DBED C=CCOC[C@H](NC(=O)CC(=O)NCC(F)(F)F)C(=O)O 1602909756 GQVKVYCKCQHCFY-ZETCQYMHSA-N 312.244 -0.173 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CN(c2ncc(C(=O)O)cn2)C[C@H]1O 1603129753 MDHZVYZHTJUBIN-FXBDTBDDSA-N 305.294 -1.000 30 20 DBED COC(=O)C1(CS(=O)(=O)N(CC#N)CCC(=O)O)CCC1 1606352107 UVPUWBSEURMFSL-UHFFFAOYSA-N 318.351 -0.040 30 20 DBED N#Cc1c[nH]c(=O)n(CCc2ccc(-c3nn[nH]n3)cc2)c1=O 1606358502 VPWCBGMKTQVDSP-UHFFFAOYSA-N 309.289 -0.169 30 20 DBED CCc1cc(C(=O)N[C@H]2CCN(CC(=O)NCC#N)C2)no1 1713961634 HOCDNWBVDNBELB-JTQLQIEISA-N 305.338 -0.319 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1C[C@H](NC(=O)c2ncccc2O)C1 1752627495 ISWJSPJXOIUZPH-SRVKXCTJSA-N 316.361 -0.225 30 20 DBED COCC#CCN(C)CCNC(=O)c1cn2c(n1)COCC2 1753055531 IBQMTKZQDPZXSD-UHFFFAOYSA-N 306.366 -0.275 30 20 DBED CCn1nc(C)c(C(=O)NC2CN(CC(=O)NCC#N)C2)c1C 1753390369 ZLJSPQCGBOKREF-UHFFFAOYSA-N 318.381 -0.426 30 20 DBED COCC#CCN1CC[C@H](N(C)C(=O)[C@H]2CCCC(=O)N2)C1 1753440362 XLSSQIQBGARLHK-UONOGXRCSA-N 307.394 -0.162 30 20 DBED CC(C)(NS(C)(=O)=O)C(=O)NCC1(NCC#N)CCCC1 1753669231 KJXBJZJUEISSSQ-UHFFFAOYSA-N 316.427 -0.144 30 20 DBED CC#CCNC[C@H]1CCC[C@H]1NC(=O)c1cn(C)c(=O)nc1O 1753900626 AANGNRAXPKVABG-DGCLKSJQSA-N 318.377 -0.003 30 20 DBED CC#CCNC[C@@H](O)CNC(=O)[C@@H]1CNC(=O)c2ccccc21 1753914052 OZAZDGXPXDNSMO-IUODEOHRSA-N 315.373 -0.396 30 20 DBED C=CCNC(=O)CNC[C@@H](C)NC(=O)[C@H]1CCN(C(=O)CC)C1 1754248779 WMYNGHMYLNPVSL-OLZOCXBDSA-N 324.425 -0.359 30 20 DBED C#CCNC[C@@H]1CCCN1C(=O)[C@@H](C)NS(=O)(=O)CC 1754609557 GOZKSZZJYWNOQO-NEPJUHHUSA-N 301.412 -0.472 30 20 DBED CC[C@@H](NC(C)=O)C(=O)NCC1(NCC(=O)NCC#N)CCC1 1754986627 NHEOBRACQQJXCO-GFCCVEGCSA-N 323.397 -0.831 30 20 DBED C=CCNC(=O)CN1CCC(CO)(NC(=O)[C@@H](F)CC)CC1 1755180261 XUPHDLUDMZEOGC-LBPRGKRZSA-N 315.389 -0.020 30 20 DBED CCN1C[C@H](C(=O)NC2CC(CNCC#CCOC)C2)CC1=O 1755212232 KFHMTRLKZUFDCS-SHARSMKWSA-N 321.421 -0.011 30 20 DBED Cn1cc2c(n1)CCC[C@H]2C(=O)NC1(CCO)CN(CC#N)C1 1755334829 LWYICQZGKPFGGO-GFCCVEGCSA-N 317.393 -0.083 30 20 DBED N#CCNC(=O)CNC[C@H]1C[C@H](NC(=O)c2ncccc2O)C1 1755469266 JMHWRKCMOMTMKS-XYPYZODXSA-N 317.349 -0.475 30 20 DBED C#CCCNC[C@@H](O)CN(C)C(=O)[C@@H](OC)c1cnn(C)c1 1755784346 LYWNXVFHIVECJB-KGLIPLIRSA-N 308.382 -0.460 30 20 DBED C#CCOCCC(=O)N1CC([C@H](C)NC(=O)[C@H](C)CC(N)=O)C1 1756152429 POVZNLCBHXGWSW-NEPJUHHUSA-N 323.393 -0.499 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H](CO)CNC(=O)Cn1cncc1C 1756537793 YBFLQYRTOBTSRS-IUODEOHRSA-N 324.381 -0.888 30 20 DBED C=CCOCC(=O)N[C@@H]1C[C@@H](C)N(C(=O)c2cn(C)nn2)C1 1756587237 GVWBATIVLBNZHS-GHMZBOCLSA-N 307.354 -0.263 30 20 DBED COCCN(CCNC(=O)c1cc[n+]([O-])cc1)C(=O)[C@H](C)C#N 1756723474 VMNIMMLYCASTKB-GFCCVEGCSA-N 320.349 -0.316 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cnc(C)[nH]1)CCO2 1783046820 PTHZWZXRAHKLFV-HNNXBMFYSA-N 302.334 -0.205 30 20 DBED C=CCC(F)(F)C(=O)N1CC[C@]2(CN(C(=O)CN)CCO2)C1 1783194543 ACGCECSDLROOLI-ZDUSSCGKSA-N 317.336 -0.014 30 20 DBED C[C@@H](NC=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC#N)C[C@@H]21 1789879450 JQIPGPUYKOWHOP-VOAKCMCISA-N 322.365 -0.986 30 20 DBED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(=O)C3CC3)C[C@@H]21 1790789830 NBZGLHLOZXWOOL-AVGNSLFASA-N 304.346 -0.422 30 20 DBED N#CCCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)C(O)O)CC2 1814489336 GTSZTQYMFPCYEJ-SSDOTTSWSA-N 324.362 -0.330 30 20 DBED C[C@@H](C(=O)N1CC2(CCCN2C(=O)CC#N)C1)n1cncn1 1842624412 PZOSXPXEOZQHEE-NSHDSACASA-N 302.338 -0.044 30 20 DBED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)c1cc(O)no1)C2 1846196083 JIHUDPIXAUFMSO-UHFFFAOYSA-N 319.273 -0.715 30 20 DBED N#Cc1ccccc1S(=O)(=O)NC1CCN(CC(N)=O)CC1 119393133 KIECZCVIDWOFKX-UHFFFAOYSA-N 322.390 -0.214 30 20 DBED CC[C@](C)(C#N)NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 127579010 LZYFZGRBEGGBFH-CQSZACIVSA-N 318.337 -0.758 30 20 DBED N#Cc1ccc(S(=O)(=O)NCC2(CO)COC2)c(F)c1 129049566 YJNMUXUFFJXWIH-UHFFFAOYSA-N 300.311 -0.015 30 20 DBED C#CCN1CCN(C(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)CC1 195336825 DWUIGJJRCJPDOL-ZIAGYGMSSA-N 317.389 -0.061 30 20 DBED N/C(=N\CCS(=O)(=O)NCC1CCC1)N1CCOCC1 262549590 XHGXPKJBERRSAU-UHFFFAOYSA-N 304.416 -0.647 30 20 DBED C=C[C@H](CO)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 290591963 MJWYAGHBZACMOE-ZYHUDNBSSA-N 323.374 -0.112 30 20 DBED C=CCNC(=O)CNS(=O)(=O)CC1(C(=O)OC)CCCC1 290662439 FTCGOGALCKDLRU-UHFFFAOYSA-N 318.395 -0.059 30 20 DBED COc1cc(N=C(O)N2CC[C@]3(C2)N=C(O)N(C)C3=O)ncn1 329439094 KMXBOGYQUVZINZ-CYBMUJFWSA-N 320.309 -0.139 30 20 DBED O=C(C/N=C(/O)Cn1nc2cnccn2c1=O)N1CCCC1 329504793 HDAYBHWXHDZARK-UHFFFAOYSA-N 304.310 -0.530 30 20 DBED Cc1nnc2n1C[C@H](C/N=C(/O)NC[C@H]1CN(C)CCO1)CC2 329681478 YFXAGJJDCNPLGQ-STQMWFEESA-N 322.413 -0.017 30 20 DBED C[C@@H]([C@@H](C)N(C)/C(O)=N/CCN1CCOCC1)S(C)(=O)=O 330753017 IXVCCOHNSUKXLW-NEPJUHHUSA-N 321.443 -0.014 30 20 DBED COC[C@@H]1CN(/C(O)=N/C[C@@H](C)N2CCOCC2)CCO1 330934602 JNMOWWMHEASHBN-OLZOCXBDSA-N 301.387 -0.032 30 20 DBED COCCNC(=O)[C@H](CC(C)C)NC(=O)Cn1cnc(C#N)n1 339612491 PFDUPHYKMNBFRE-NSHDSACASA-N 322.369 -0.557 30 20 DBED N#Cc1ncn(CCNC(=O)C(=O)NCc2ccc(F)cc2)n1 342874502 SOQGKZKFTBAVKH-UHFFFAOYSA-N 316.296 -0.279 30 20 DBED N#Cc1cccc(CNC(=O)CN2[C@H](CO)CC[C@@H]2CO)c1 347315807 RRBQFQPERHPZSN-GASCZTMLSA-N 303.362 -0.008 30 20 DBED C[C@@H]1CCCN1S(=O)(=O)CCCS(=O)(=O)NCC#N 349513672 XVYHKDSAZPYRLV-SNVBAGLBSA-N 309.413 -0.366 30 20 DBED N#CCNC(=O)CNC(=O)C(=O)Nc1cc(F)c(F)cc1F 357307847 LJVUVZIBCKYMGP-UHFFFAOYSA-N 314.223 -0.202 30 20 DBED COC[C@@H]1CCCCN1S(=O)(=O)N1CCO[C@@H](C#N)C1 452089411 DNKWMVHFPYNTII-RYUDHWBXSA-N 303.384 -0.044 30 20 DBED COC(=O)N(C)CC(=O)N(CCC#N)CCN1CCOCC1 490937275 QHGGFUGIECQSOZ-UHFFFAOYSA-N 312.370 -0.241 30 20 DBED N#CCNC(=O)CNC(=O)Nc1ccccc1OCCC(N)=O 588237462 KNFPHDDQEXTEIC-UHFFFAOYSA-N 319.321 -0.298 30 20 DBED N#CCc1ccc(OC[C@H](O)CN2C[C@@H](O)[C@H](CO)C2)cc1 595539562 NDUGTVTZTFNVMZ-SQWLQELKSA-N 306.362 -0.223 30 20 DBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H]1CC(=O)N1 597374609 KVFGTNXNXQPUDC-UWVGGRQHSA-N 300.322 -0.726 30 20 DBED N#CCCN1CCN(C(=O)C(=O)N2CC[C@]3(CCNC3)C2)CC1 601586076 ZZXUMHKWSZMEIY-INIZCTEOSA-N 319.409 -0.744 30 20 DBED CCN(C[C@H](C)C#N)C(=O)Cn1cc(CN(C)CCO)nn1 603210192 WDSRVUDLZXVPSH-GFCCVEGCSA-N 308.386 -0.290 30 20 DBED CC#CCNCc1cn(CC(=O)N2CCN(C(C)=O)CC2)nn1 640790807 KAJDRCNBPCYLMJ-UHFFFAOYSA-N 318.381 -0.918 30 20 DBED C=CCCC(=O)OCC(=O)NCCCN(C)S(C)(=O)=O 726649677 BACWPEXATMLRNI-UHFFFAOYSA-N 306.384 -0.107 30 20 DBED N#CCNC(=O)COC(=O)COc1ccccc1-c1nn[nH]n1 737696421 QYVBTRGPCZAWDG-UHFFFAOYSA-N 316.277 -0.572 30 20 DBED COCCONC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 748770597 DRYYPBAFNOZQAH-UHFFFAOYSA-N 313.335 -0.581 30 20 DBED CN(C)C[C@H]1CCCN(c2c(C#N)c(=O)n(C)c(=O)n2C)C1 749392669 QDHNTPXGHQAVFV-LLVKDONJSA-N 305.382 -0.266 30 20 DBED N#Cc1csc(C(=O)NS(=O)(=O)N2CCOCC2)c1 752186240 VRWFJROENSDBOI-UHFFFAOYSA-N 301.349 -0.073 30 20 DBED C#CCOCCOC(=O)CN(C)S(=O)(=O)c1cccnc1 762723978 UPTMCCOHRVSJGG-UHFFFAOYSA-N 312.347 -0.105 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)[C@@H]2CCOC2)C1=O 762878866 AQQNNUOUPLGLEI-SECBINFHSA-N 324.289 -0.888 30 20 DBED CN1C(=O)CN(NS(=O)(=O)c2ccc(F)cc2C#N)C1=O 767834630 BFRCHMCNZBHLJC-UHFFFAOYSA-N 312.282 -0.215 30 20 DBED C#CCn1cc(CNC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)cn1 791264362 JVXXDBCSRCQKBC-CQSZACIVSA-N 317.393 -0.457 30 20 DBED CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)N1CCC(C#N)CC1 821140905 CZSKWTULXDHOKO-QWRGUYRKSA-N 301.368 -0.256 30 20 DBED CN1C(=O)CC[C@@H](NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1=O 823905950 PDYYJIJTHLAVHL-NWDGAFQWSA-N 319.365 -0.484 30 20 DBED C#CC[C@@H](CO)NC(=O)CNS(=O)(=O)c1c(C)noc1C 857262121 BIGVEASYXJEHCN-JTQLQIEISA-N 315.351 -0.930 30 20 DBED C#CC[C@H](CCOC)NC(=O)CCN1CCCS1(=O)=O 863788515 ANZURVUYKVEGAJ-GFCCVEGCSA-N 302.396 -0.043 30 20 DBED C#CC1(O)CN(C(=O)CCc2ccc(S(=O)(=O)NC)cc2)C1 890519580 PRLMBDMGKNFHKZ-UHFFFAOYSA-N 322.386 -0.266 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(C(=O)C(OC)OC)CC1 912356359 KDEHTFBZFQDGAR-NEPJUHHUSA-N 312.366 -0.133 30 20 DBED C=C(Cl)CN[C@@H]1CN(C(=O)Cn2c(O)nnc2O)C[C@H]1C 939626413 JPACEZDKZCXKBA-VXNVDRBHSA-N 315.761 -0.122 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](NC(=O)c2cn(C)c(=O)cn2)C1 942055025 BQCDHIKMSDHAKY-VHSXEESVSA-N 303.322 -0.729 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)[C@H]1COC(=O)N1)CCO2 949083231 BKQVABZKDIRADG-GFCCVEGCSA-N 307.350 -0.579 30 20 DBED C#CCCN1CCC2(CC1)CN(C(=O)[C@@H]1CCNC1=O)CCO2 949153979 LZSTZPQXZXGIOS-CQSZACIVSA-N 319.405 -0.161 30 20 DBED CN1CC[C@@H](C(=O)N(C)C2CN(C(=O)C#CC3CC3)C2)C1=O 955044441 OHMOVDUVROFPHV-CYBMUJFWSA-N 303.362 -0.453 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CN(C(=O)c2ncn(C)n2)C1 955364480 HRQWXOSQLXMVKN-NEPJUHHUSA-N 319.365 -0.311 30 20 DBED C#CCCN1C[C@H](CNC(=O)c2cnn3c2OCCC3)[C@@H](O)C1 958220375 XIZGIZSCFFOCBP-JSGCOSHPSA-N 318.377 -0.289 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2c(C)cc(=O)oc2C)C1 958243577 KRDPPOQZEXSHPJ-QWHCGFSZSA-N 304.346 -0.088 30 20 DBED C=CCN1C[C@@H](O)[C@@H](CNC(=O)c2ccoc2CC(N)=O)C1 958350967 WMUDKHWDJIAFMT-CMPLNLGQSA-N 307.350 -0.484 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2nnn(C(C)C)c2C)C1 958548368 PIRLTGOMDRYIGM-OLZOCXBDSA-N 305.382 -0.177 30 20 DBED C[C@H](C#N)C(=O)N1CCCC[C@H]1CNCc1nc(=O)n(C)[nH]1 959925931 PMFJDWQEMQYELX-MNOVXSKESA-N 306.370 -0.261 30 20 DBED Cc1ncncc1C(=O)N[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1O 961706260 HMTSTHUKZPZILU-FXAINCCUSA-N 303.322 -0.754 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H]2CN(C(=O)[C@H]3CNC(=O)N3)C[C@H]2C1 962053237 BYAFTCUBGSZMIX-GRYCIOLGSA-N 320.393 -0.203 30 20 DBED CCc1nc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)co1 962387543 GHELJFWMTQKZQE-KKZNHRDASA-N 306.322 -0.302 30 20 DBED C#CCN1CCC(C(=O)N[C@H]2[C@@H]3CN([C@H](C)C(N)=O)C[C@@H]32)CC1 962777410 OLJJGUCYNQBBMI-RZFFKMDDSA-N 318.421 -0.748 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2CCCN(C(=O)C(N)=O)CC2)cn1 965057692 WRODFJCHDXKMFQ-ZDUSSCGKSA-N 314.345 -0.341 30 20 DBED CC1(C)CN(C(=O)c2ccc(C#N)[nH]2)CC[C@@H]1NC(=O)C(N)=O 967117812 PLZHLPCDRULXJY-NSHDSACASA-N 317.349 -0.271 30 20 DBED N#Cc1cc(C(=O)N[C@H]2C[C@@H](NC(=O)Cc3nc[nH]n3)C2)c[nH]1 974049569 VEFYIYKAXGYTFQ-AOOOYVTPSA-N 313.321 -0.376 30 20 DBED COc1c(O)nc(O)nc1C(=O)N[C@H]1CN(CC#N)CC1(C)C 977467462 KRAAKMMGRHOHEP-QMMMGPOBSA-N 321.337 -0.140 30 20 DBED C#CCCN1C[C@H]2[C@H](CNC(=O)[C@H]3CCCS3(=O)=O)[C@H]2C1 979069928 FNSFNPATGUFCOP-YIYPIFLZSA-N 310.419 -0.119 30 20 DBED O=C(NC[C@@H]1CCN(C(=O)C#CC2CC2)C1)[C@H]1COCCO1 982742206 MQHUFOAQNLSUNI-UONOGXRCSA-N 306.362 -0.220 30 20 DBED CN(C(=O)[C@@H]1CNC(=O)N1)[C@@H]1CCCN(C(=O)C#CC2CC2)C1 984183949 IIVDUUZRRJUQKJ-OLZOCXBDSA-N 318.377 -0.469 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)c2cn(C)c(=O)cn2)[C@H]1C 989258221 SZXMEAQDLATPJB-AXFHLTTASA-N 317.349 -0.341 30 20 DBED C#CCCN1CC[C@]2(NC(=O)CN3C(=O)CNC3=O)CCC[C@@H]12 992476845 QEHGJLCFFCFFFJ-MLGOLLRUSA-N 318.377 -0.325 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CN(C(=O)C(C)(C)C(N)=O)C[C@@]2(C)C1 993356670 WONCHXRDMMQKAQ-XMZIXOGTSA-N 320.393 -0.036 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN(C(=O)c2ncccn2)C1 994752804 VTIHSOIYAJYRKM-ZDUSSCGKSA-N 313.361 -0.485 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCC(N[C@@H](CC)C(N)=O)CC1 996683449 CTBPFKUDOUBECJ-GJZGRUSLSA-N 320.437 -0.072 30 20 DBED C#CCN1CCC([C@@H](C)NC(=O)C2CC(=O)NC(=O)C2)CC1 997352748 OFMUQFKDFAWSMH-LLVKDONJSA-N 305.378 -0.111 30 20 DBED N#CCN[C@@H]1CN(C(=O)Cn2ncnn2)CC[C@H]1C(F)(F)F 998259745 KOIPLXCAVOWTAX-RKDXNWHRSA-N 317.275 -0.434 30 20 DBED N#CCN1CCC[C@H](NC(=O)[C@@H]2CCc3nnc(O)n3C2)C1 1007689224 XOTLZUSBJGTHIN-MNOVXSKESA-N 304.354 -0.350 30 20 DBED C=C[C@](C)(CC)C(=O)N1C[C@@H]2C(NC(=O)c3nnn(C)n3)[C@H]2C1 1013592629 KUKBJNMRLMYYJN-AMJWSMQMSA-N 318.381 -0.001 30 20 DBED C[C@@H](C#N)C(=O)N1CC=C(CNC(=O)[C@H]2CCNC2=O)CC1 1017619315 XLGWTONZHYKXKM-JQWIXIFHSA-N 304.350 -0.443 30 20 DBED C[C@@H]1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)CN1C(=O)C(N)=O 1018085170 ASYYJDCNMYVEJE-PSASIEDQSA-N 303.322 -0.519 30 20 DBED C=C(Cl)CN[C@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 1019787674 YNSLPNVMOYOKKD-VHSXEESVSA-N 307.803 -0.379 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H](NCCn2cncn2)C1 1020250309 AVSBJJCQNKMEAM-KKUMJFAQSA-N 316.409 -0.388 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 1023428603 CZWXISPSRKULHD-GGZOMVNGSA-N 301.306 -0.652 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)OC)C[C@H]2O)nc1 1024921260 BUMNDYMCTOOMAV-LERXQTSPSA-N 317.345 -0.601 30 20 DBED N#CCN1CC[C@H](CNC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 1028536199 NZVOLYRBFJQVKL-NEPJUHHUSA-N 316.365 -0.276 30 20 DBED C#CCCN1CC[C@H](CNC(=O)[C@@H]2CC(=O)N(CCOC)C2)C1 1028578055 JMGIVSYPSIIAHX-HUUCEWRRSA-N 321.421 -0.057 30 20 DBED N#CCN1CC[C@@H](CNC(=O)[C@@H]2CCc3nnc(O)n3C2)C1 1028640594 RHXQJHJSOGDCNU-WDEREUQCSA-N 304.354 -0.492 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)[C@@H]3[C@H]4COC[C@H]43)C2)C1=O 1030811441 RTQRCYQHDBBEOR-RFQIPJPRSA-N 305.378 -0.534 30 20 DBED N#CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 1032401475 PZNILJVOAMKFME-WOPDTQHZSA-N 314.349 -0.429 30 20 DBED CN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CCN([C@@H]2CCNC2=O)C1 1032988135 YXOLCCCBOHUVLO-WCQYABFASA-N 301.350 -0.079 30 20 DBED N#CCN1CCO[C@@H](CNC(=O)c2cnc3nccnc3c2)C1 1035396745 RFMNIEVSNVMCCK-LBPRGKRZSA-N 312.333 -0.021 30 20 DBED C#CCN[C@@H]1CCN(C(=O)Cn2ccc(O)nc2=O)C[C@H]1CC 1037879262 YFDOERJMNYPMJV-CHWSQXEVSA-N 318.377 -0.201 30 20 DBED N#CCN1CC[C@H]1CNC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 1038542063 YCGVWKCLRNKTCB-ZNMIVQPWSA-N 322.409 -0.420 30 20 DBED C#CCNC1C[C@@H]2CCC[C@H](C1)N2C(=O)Cn1ncn(C)c1=O 1039284432 PSLLAACJSCYZJA-AGUYFDCRSA-N 317.393 -0.283 30 20 DBED CCn1ccnc1C(=O)NC[C@@]1(O)CCN(C(=O)[C@@H](C)C#N)C1 1039582725 UKGGLYQKVKECDN-NHYWBVRUSA-N 319.365 -0.244 30 20 DBED CC(C)C#CC(=O)NC[C@@]1(O)CCN(C(=O)[C@H](C)CC(N)=O)C1 1039665305 IRGKBNQZKGRWQJ-WBMJQRKESA-N 323.393 -0.763 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)CN2CCCC2)C1 1039764089 RCDUMWKTRNEVSY-IUODEOHRSA-N 308.382 -0.679 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)Cc2cccnc2)C1 1040248569 UGGSXXJGGSZCHE-WBMJQRKESA-N 316.361 -0.137 30 20 DBED C[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1NC(=O)c1ncn(C)n1 1041852204 PAWLGUDOTFZQTD-NXEZZACHSA-N 312.337 -0.269 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)Cc2cc(C)on2)C1 1042040862 ZNSWTTJHQCWLSU-UHFFFAOYSA-N 323.349 -0.582 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCO[C@@H]2C)C1 1042047038 GLURAXXNRZNNCF-VXGBXAGGSA-N 312.366 -0.697 30 20 DBED N#Cc1c[nH]c(C(=O)NCC2(O)CN(C(=O)[C@@H]3CCOC3)C2)c1 1042397482 NYAVLBUGTDGTNT-LLVKDONJSA-N 318.333 -0.774 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)CN2CCC[C@@H]2C)C1 1042801360 KWIFVBBZJAOAAF-AWEZNQCLSA-N 321.421 -0.036 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(O)(CNC(=O)c2[nH]ccc2C)C1 1042846339 RNCQWVBSZVAZLJ-OAHLLOKOSA-N 321.377 -0.047 30 20 DBED C#CCN1CC[C@@H](N2CCN(C(=O)c3cnnn3CC)CC2)C1 1046028912 IXNHOMZSAWXQIN-CQSZACIVSA-N 316.409 -0.237 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCC1(O)CN(C(=O)C#CC(C)C)C1 1046820545 NZSRNIOXBPRPCK-KGLIPLIRSA-N 320.389 -0.074 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCN(C)C(=O)C2)C1 1047433502 LXOHFYMONRFEHL-RDBSUJKOSA-N 307.394 -0.618 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCc3nn[nH]c32)C1 1047505817 XUEIZXIOCNTMKR-WXHSDQCUSA-N 305.382 -0.086 30 20 DBED C=CCCC(=O)N(C)[C@H]1CN(C(=O)[C@H]2CCCNC2=O)C[C@@H]1O 1048530326 CKUYTLKCKBWWAJ-AVGNSLFASA-N 323.393 -0.491 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)COC(C)(C)C)C1 1048711844 FABOUVWLRDSJOS-WOPDTQHZSA-N 311.382 -0.009 30 20 DBED C=CCOCC(=O)N[C@@H](C)[C@H]1CCN(C(=O)CC(=O)NC)C1 1050537141 LULXEBMPOFKLOF-RYUDHWBXSA-N 311.382 -0.322 30 20 DBED C#CCCCC(=O)N1CC[C@@H]([C@@H](C)NC(=O)c2nnn(C)n2)C1 1050596151 TYDZJOYSVBNWFC-VXGBXAGGSA-N 318.381 -0.020 30 20 DBED Cc1nc2n(n1)C[C@@H](C(=O)NC[C@@H]1COCCN1CC#N)CC2 1051044733 QDDWKVSNQVNLNJ-QWHCGFSZSA-N 318.381 -0.511 30 20 DBED C#CCCN1CCOC[C@@H]1CNC(=O)c1cnc(OC)nc1 1051194040 UUYXXUZHVCNKEM-ZDUSSCGKSA-N 304.350 -0.061 30 20 DBED C#CCN1CCC[C@@H](NC(=O)[C@H]2CCN(C)S2(=O)=O)CC1 1052785459 HVWBUVKKBKVMJN-CHWSQXEVSA-N 313.423 -0.376 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)c3cnn4c3OCCC4)CO2)C1 1053858418 GHIZWLJSMVVBPW-LBPRGKRZSA-N 316.361 -0.128 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)[C@@H]3CCN(C(C)=O)C3)CO2)C1 1053994902 OWLNWWDDTBCAIV-KGLIPLIRSA-N 305.378 -0.553 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)[C@@H]3CCCS3(=O)=O)CO2)C1 1054012536 FNNISFBWLLGOTE-QWRGUYRKSA-N 313.379 -0.953 30 20 DBED C=CCN1CC[C@@H](NC2(CC)CCN(C(=O)C(N)=O)CC2)C1=O 1054026591 BTEGOJMFLPPQLY-GFCCVEGCSA-N 322.409 -0.381 30 20 DBED C#CCN1CC[C@@]2(CCCN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)C1 1054147019 YHZZNNIMAQOVSG-LRDDRELGSA-N 318.377 -0.468 30 20 DBED CCCC(=O)NCC(=O)N1C[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2C1 1055211318 JPSVWHBYRSCYMY-RWMBFGLXSA-N 320.393 -0.021 30 20 DBED N#Cc1cncc(N2CCN(C(=O)CCc3nc[nH]n3)CC2)n1 1055764994 NSEFMIBONWYJFY-UHFFFAOYSA-N 312.337 -0.252 30 20 DBED C[C@@H](C#N)C(=O)N[C@@]1(CO)CCCN(C(=O)c2cnccn2)C1 1056094055 PLWKZSXPYVLOKC-NHYWBVRUSA-N 317.349 -0.280 30 20 DBED N#Cc1ccc(N2C[C@H]3[C@H](NC(=O)[C@H]4CCNC4=O)[C@H]3C2)cn1 1056356914 XMLCCDKTAVFLGP-IGQOVBAYSA-N 311.345 -0.360 30 20 DBED N#Cc1cnc(N2C[C@H]3[C@H](NC(=O)Cc4cnc[nH]4)[C@H]3C2)cn1 1056427897 AGWFYQMOZGOWRY-JYAVWHMHSA-N 309.333 -0.135 30 20 DBED C#CCCCCC(=O)N(CCO)CCNC(=O)Cn1nccn1 1057387955 ALAZMDGNRWJUQO-UHFFFAOYSA-N 321.381 -0.591 30 20 DBED C#CCO[C@H](C)C(=O)NCCN(CCO)C(=O)[C@@H](F)CC 1058386510 LEWLWLPFLDBIAA-NEPJUHHUSA-N 302.346 -0.290 30 20 DBED CCn1cc(C(=O)N[C@@H]2CCN(c3ccc(C#N)nn3)C2)nn1 1058432201 OBABQEOFNHPSRG-LLVKDONJSA-N 312.337 -0.032 30 20 DBED N#Cc1nccnc1N[C@H]1CCN(C(=O)CN2CCCC2=O)C1 1058836592 DAUGEQMHBBBAOJ-NSHDSACASA-N 314.349 -0.017 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(CCO)CCNC(=O)CCOC 1058874019 LTXZLTPRQKASBX-OLZOCXBDSA-N 314.382 -0.449 30 20 DBED C=CCCCC(=O)NCCN(CCO)C(=O)Cn1cncn1 1058884241 LPXKYEKWAJHRPC-UHFFFAOYSA-N 309.370 -0.429 30 20 DBED CCn1ncc(C(=O)N[C@H]2C[C@H](N=c3cc[nH]c(C#N)n3)C2)n1 1059206886 WRELYDFPFSMXMW-MGCOHNPYSA-N 312.337 -0.246 30 20 DBED C=CCOCC(=O)N1CC[C@@H](CCNC(=O)c2nnn(C)n2)C1 1059338073 XHTWZIVZQIFLRC-LLVKDONJSA-N 322.369 -0.619 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@H]1COCCN1C(=O)c1nc[nH]n1 1061542374 JLDZWJVWDDQQPS-QMTHXVAHSA-N 323.353 -0.911 30 20 DBED N#Cc1nccc(N2CC[C@@H](CNC(=O)[C@@H]3COC(=O)N3)C2)n1 1061593113 UZOGKARWQDFXGN-UWVGGRQHSA-N 316.321 -0.601 30 20 DBED C=CCOCC(=O)NCC1(NC(=O)[C@@H]2CCNC(=O)C2)CCC1 1062702547 VBUVTSSIEZMHCU-GFCCVEGCSA-N 323.393 -0.130 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)CCn2cncn2)CCO1 1064863199 RLBKLADKTYNRAQ-CYBMUJFWSA-N 321.381 -0.022 30 20 DBED C=CCOCC(=O)N1CCO[C@@H](CNC(=O)c2ccon2)C1 1064976645 NEQPCQIKCNMDJC-NSHDSACASA-N 309.322 -0.166 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H]1CN(C(=O)c2cnco2)CCO1 1065387940 JYDKPTJPVDROMN-NWDGAFQWSA-N 321.333 -0.330 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(C(=O)c2ccnnc2)CCO1 1065664684 HZYSFRXZKCDCNH-AWEZNQCLSA-N 314.345 -0.153 30 20 DBED C=CCOCC(=O)N[C@H]1CCCN(C(=O)[C@H]2CCNC2=O)CC1 1065983257 ZUAHFTUAOLLPGR-STQMWFEESA-N 323.393 -0.178 30 20 DBED C[C@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1Nc1cnc(C#N)cn1 1067042617 UCKPABYLDZCVQR-ONGXEEELSA-N 313.325 -0.706 30 20 DBED N#Cc1c[nH]ccc1=NCC1CC(NC(=O)Cn2cncn2)C1 1067848520 IXOZNHFSCIYJBD-UHFFFAOYSA-N 311.349 -0.026 30 20 DBED N#Cc1cncc(N2C[C@@H]3C(CNC(=O)c4cnn[nH]4)[C@H]3C2)n1 1068209517 GJJIOIXWATVEPW-GHMZBOCLSA-N 310.321 -0.421 30 20 DBED C#CCOCCC(=O)N1CCOC2(C1)CN(C(=O)[C@H](C)C#N)C2 1068397309 FJHFLYXXEKONGR-CYBMUJFWSA-N 319.361 -0.374 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H]1C[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 1068573151 KVHFGZRGRDEAQJ-IRUJWGPZSA-N 314.349 -0.637 30 20 DBED CCN(C)CCC(=O)N[C@H]1COC2(C1)CN(C(=O)[C@H](C)C#N)C2 1069035791 OHIQAGHSWSJWCT-CHWSQXEVSA-N 322.409 -0.026 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1070003026 HNWMJAXWOBIQCJ-BJJPWKGXSA-N 303.366 -0.302 30 20 DBED C=CCCC(=O)NC1(CNC(=O)[C@H]2CNC(=O)N2)CCOCC1 1070032389 SRIZYBXYJGRHAH-LLVKDONJSA-N 324.381 -0.584 30 20 DBED N#CCN1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 1070426819 ZFOMPHUBAMLOPS-WCQGTBRESA-N 316.365 -0.540 30 20 DBED C[C@]1(C(=O)N2C[C@@H]3C[C@@H]4CN(CC#N)C[C@]3(C2)O4)CCNC1=O 1070854237 XBURNTPRNRYXOJ-SHUKQUCYSA-N 318.377 -0.662 30 20 DBED C#CCN1CC[C@]2(C1)CN(C(=O)Cc1nc[nH]n1)C[C@H](C)O2 1071231776 USUYOCRNPVWILZ-WFASDCNBSA-N 303.366 -0.328 30 20 DBED C#CCN1CCN([C@@H]2CCCN(C(=O)[C@H]3CCOC3)C2)C(=O)C1 1071255696 UJAWWDJEHANAET-LSDHHAIUSA-N 319.405 -0.209 30 20 DBED C#CCN1C[C@@H](NC(=O)c2nccnc2C(N)=O)CC[C@@H]1C 1072058009 FIYLJXCTYGZCTE-QWRGUYRKSA-N 301.350 -0.209 30 20 DBED CC#CCN1CCC2(C1)CN(C(=O)[C@@H]1CC(=O)NC(=O)N1)C2 1073020270 QZVJZLLMOVYEEQ-NSHDSACASA-N 304.350 -0.858 30 20 DBED CNC(=O)NCC(=O)N1CC[C@@H](NC(=O)C#CC(C)C)[C@H](C)C1 1073938474 NFYRHPIHSBKYQZ-CHWSQXEVSA-N 322.409 -0.072 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H](C)CCNC(=O)c1nnn(C)c1C 1076021047 JPVNHRRSWUIFRK-JQWIXIFHSA-N 321.381 -0.214 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)c1n[nH]cc1F 1076217969 QATYVBKYQTVBIP-VIFPVBQESA-N 323.328 -0.687 30 20 DBED C=C[C@](C)(O)CC(=O)NCC[C@H](C)NC(=O)CNC(=O)CC 1076300648 PWKXEPJYDPADCL-NHYWBVRUSA-N 313.398 -0.149 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H](C)CCNC(=O)Cn1ccnc1 1077185449 BXGFENIORAJNSB-STQMWFEESA-N 306.366 -0.068 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2nn(C)c3c2CCCC3)C1 1077708635 QHOQBWRSJOUCOH-TZMCWYRMSA-N 302.378 -0.293 30 20 DBED C#Cc1ccccc1CC(=O)N[C@@H]1CN(CCCO)C[C@H]1O 1078082893 YTLGRAIDIYRBSF-HZPDHXFCSA-N 302.374 -0.246 30 20 DBED C#CCN[C@H]1C[C@H]2CC[C@H]1N(C(=O)CCn1ncn(C)c1=O)C2 1079002188 HUOAQXBTSVKOBG-HZSPNIEDSA-N 317.393 -0.426 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1NC(=O)C1CC2(C1)CS(=O)(=O)C2 1079950356 ORECBSDWIAOSLK-ZYHUDNBSSA-N 311.407 -0.229 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cnn(CC)n2)C1 1081453686 XEEKVWDBGPYRAK-WCQYABFASA-N 321.381 -0.187 30 20 DBED C=C(C)CCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2nnn(C)n2)C1 1081655813 KXXWUCNXJDKXGU-MNOVXSKESA-N 322.369 -0.885 30 20 DBED C=C1CC(C)(C(=O)NC[C@@H]2CN(C(=O)c3cnon3)C[C@H]2O)C1 1081751992 CAMCFNRCUPYDMG-ZYHUDNBSSA-N 320.349 -0.025 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@@H]1CCc2nncn2CC1 1081959321 CUNGCWNAWJYHQI-JHJVBQTASA-N 318.381 -0.430 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1cnn2ccc(C)nc12 1082330344 PEKRGYPSDKJAAI-CHWSQXEVSA-N 314.349 -0.010 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)C(=O)Nc1cc(C)on1 1083272502 RHEVDYHOBAMQNZ-NWDGAFQWSA-N 318.333 -0.534 30 20 DBED C=CCN1CC[C@H](N2C[C@H](O)[C@H](NC(=O)C(C)(F)F)C2)C1=O 1083305933 LFSWUUHBKULRCV-VWYCJHECSA-N 317.336 -0.410 30 20 DBED C=CCN1CC[C@@H]2CN(C(=O)CCc3nnc(O)nc3O)[C@@H]2C1 1084480404 SDNJQRIICYCFOF-ZYHUDNBSSA-N 319.365 -0.066 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)[C@H]3CN(C(C)=O)CCO3)[C@@H]2C1 1084806136 ABFJYAVSCHFKBI-RBSFLKMASA-N 305.378 -0.600 30 20 DBED C=CCCN1CC[C@@H]2CN(C(=O)CN3C(=O)CN(C)C3=O)[C@@H]2C1 1084818895 YDZHNZWAQKYWFE-CHWSQXEVSA-N 320.393 -0.011 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CO[C@H]2CCN(CC(N)=O)C2)CC1 1088230786 ZCWOUXXGVHHFBN-OCCSQVGLSA-N 322.409 -0.039 30 20 DBED Cc1nsc(N2CCCO[C@@H](CNC(=O)C(N)=O)C2)c1C#N 1089556800 LYINBCMUOVZWNF-VIFPVBQESA-N 323.378 -0.480 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2cc(OC)ncn2)[C@H](O)C1 1090271344 HQJQOSCRFNTWNN-WCQYABFASA-N 304.350 -0.327 30 20 DBED C=C(C)CCN1CC[C@H](NC(=O)c2c[nH]c(=O)cn2)[C@H](O)C1 1090527055 WMLVTSDVVMIYQR-WCQYABFASA-N 306.366 -0.099 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cnn3cc(C)cnc23)[C@H](O)C1 1090611431 FFXIZXOEVZHJJX-UONOGXRCSA-N 313.361 -0.164 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2nnn(C(C)C)c2C)[C@@H](O)C1 1090685683 KIJSAJDNAOWVHY-OLZOCXBDSA-N 305.382 -0.034 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2c(OC)ccnc2O)[C@H](O)C1 1090730342 KETNEQYMTZTGTR-NWDGAFQWSA-N 319.361 -0.016 30 20 DBED CNC(=O)c1cccc(C(=O)N[C@H]2CCN(CC#N)C[C@@H]2O)n1 1090767381 JDKYQFDIBKHNSB-GWCFXTLKSA-N 317.349 -0.870 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cc(C(N)=O)cs2)[C@@H](O)C1 1090834778 ZZOZMZGKZKAMOW-QWRGUYRKSA-N 307.375 -0.355 30 20 DBED N#Cc1ccc(NC2CC(CNC(=O)Cn3ncnn3)C2)cn1 1092241146 OKFDZXWSTHLOJH-UHFFFAOYSA-N 312.337 -0.053 30 20 DBED CCC(=O)N[C@@H](C)C(=O)N1CCN(c2cnc(C#N)cn2)CC1 1093200603 TXYUHLFLRRPUOI-NSHDSACASA-N 316.365 -0.088 30 20 DBED CCc1nc(C#N)cc(NCCNC(=O)[C@@H]2CN(C)CCO2)n1 1093542890 RTBJSKBJKCPYCW-LBPRGKRZSA-N 318.381 -0.231 30 20 DBED Cc1ccc(C#N)c(NCCNC(=O)CN2C(=O)CCC2=O)n1 1093625521 JRRRCHREXRJESV-UHFFFAOYSA-N 315.333 -0.061 30 20 DBED CCc1nc(C#N)cc(NCCNC(=O)C[C@H]2CCNC2=O)n1 1093921239 KIMKNCKIBADOID-SNVBAGLBSA-N 316.365 -0.035 30 20 DBED Cc1nc(CC(=O)NCCCNc2ccc(C#N)nn2)n[nH]1 1094402229 YVVISNBTGVALFE-UHFFFAOYSA-N 300.326 -0.064 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)c3cnc(C)[nH]3)CC2=O)C1 1094714751 BENAZPZPQBGBHO-NSHDSACASA-N 301.350 -0.634 30 20 DBED C[C@@H](C(=O)NCCCNc1cnc(C#N)cn1)S(C)(=O)=O 1094877610 UYUGEPLLLHJOPC-VIFPVBQESA-N 311.367 -0.300 30 20 DBED C[C@@H](CNC(=O)[C@]1(C)CCC(=O)N1)Nc1cncc(C#N)n1 1098238465 YRAXLPPECWURJX-XPTSAGLGSA-N 302.338 -0.066 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)N=c1cc[nH]c(C#N)n1 1098985063 RDWQUZPNUXRXEG-NSHDSACASA-N 314.349 -0.784 30 20 DBED C[C@H](CCNC(=O)[C@H]1CNC(=O)N1)Nc1cncc(C#N)n1 1099682778 OYBUGAXRJYOGKY-PSASIEDQSA-N 303.326 -0.664 30 20 DBED C#CCCCCC(=O)N[C@@H]1CCN(Cc2nc(O)n[nH]2)C[C@@H]1O 1099787718 ZOJBFMFGPYHRNZ-NEPJUHHUSA-N 321.381 -0.245 30 20 DBED C#CCCCC(=O)N[C@H]1CCN(CC(=O)N(C)CC)C[C@H]1O 1099806848 HDVWMBLXDRSADV-UONOGXRCSA-N 309.410 -0.180 30 20 DBED C#CCCCC(=O)N[C@@H]1CCN(CC(=O)NCC=C)C[C@H]1O 1099807897 XLURTBSRFUOCMD-ZIAGYGMSSA-N 307.394 -0.357 30 20 DBED Cn1cc(CN2CC[C@@H](NC(=O)C#CC3CC3)[C@@H](O)C2)nn1 1099826021 FHFPTITUMMLTSE-KGLIPLIRSA-N 303.366 -0.720 30 20 DBED C=CCCN1CC[C@@H](NC(=O)CN(C)C(=O)C2CC2)[C@@H](O)C1 1099865071 YLGZJDLYKKQOJM-KGLIPLIRSA-N 309.410 -0.018 30 20 DBED C=CCN1CC[C@@H](NC(=O)COCc2ccnn2C)[C@@H](O)C1 1099890385 RNHJHLZSTFTUCG-KGLIPLIRSA-N 308.382 -0.326 30 20 DBED CN(CCNC(=O)c1ccc(=O)n(C)n1)c1cncc(C#N)n1 1100095465 NADXNZSQPNBCRL-UHFFFAOYSA-N 313.321 -0.692 30 20 DBED C=CCNC(=O)CNC1CC(CNC(=O)[C@H]2CCCC(=O)N2)C1 1100428614 CHDVTVRXWZWDLI-WXRRBKDZSA-N 322.409 -0.558 30 20 DBED C#CCNC1CC(CNC(=O)CCS(=O)(=O)N(C)C)C1 1101018514 OLEGEIAQPNUDLK-UHFFFAOYSA-N 301.412 -0.615 30 20 DBED C[C@@]12CN(CC(=O)NCC#N)C[C@@H]1CN(C(=O)c1ncc[nH]1)C2 1101224407 UGLDRQLKRXUOED-ABAIWWIYSA-N 316.365 -0.557 30 20 DBED C#CCNC(=O)CC(=O)N(C)CCNc1nc(C)cc(OC)n1 1101551214 ZAKDUXUVWUGHKK-UHFFFAOYSA-N 319.365 -0.197 30 20 DBED CN(C)C(=O)CC(=O)N[C@@H]1CC2(CN(CC#N)C2)n2ccnc21 1101646730 WCDYXQUKOZRHEG-LLVKDONJSA-N 316.365 -0.543 30 20 DBED CN(CCNc1cnc(C#N)cn1)C(=O)CCn1cnnn1 1101740182 XGJLVFLQLZUYJC-UHFFFAOYSA-N 301.314 -0.705 30 20 DBED C[C@@H]1CN(CCN2CCNC2=O)C[C@H]1CNC(=O)[C@H](C)C#N 1101823448 BLUPNVZTTDQYCV-JHJVBQTASA-N 307.398 -0.145 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](C)[C@H](CNC(=O)c2ncc[nH]2)C1 1101943084 IBQMWCHOZCQCNK-JHJVBQTASA-N 317.393 -0.155 30 20 DBED C=CCCOCC(=O)NC[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1102607550 KJDQXYSIOHAVAT-ZIAGYGMSSA-N 322.409 -0.097 30 20 DBED CC[C@H](CNC(=O)Cn1ncnn1)Nc1cnc(C#N)cn1 1103207760 LPDYVSJBRKBSKR-SECBINFHSA-N 301.314 -0.658 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)[C@@H]1CCN(C)C1=O 1104158951 FXBONBFYHVHMKQ-QWRGUYRKSA-N 316.365 -0.587 30 20 DBED CO[C@H](C)C(=O)NC[C@@H]1CN(c2cncc(C#N)n2)CCO1 1104295341 VARABHQMXVKNRX-ZYHUDNBSSA-N 305.338 -0.295 30 20 DBED COc1ccnc(N2CCO[C@H](CNC(=O)[C@H](C)C#N)C2)n1 1104302171 QRTGOKDJGZKVAB-GHMZBOCLSA-N 305.338 -0.034 30 20 DBED C#CCNCC[C@@H]1CN(C(=O)CCn2ncn(C)c2=O)C[C@H]1C 1104448651 XXFOFNFRRRXBAI-ZIAGYGMSSA-N 319.409 -0.321 30 20 DBED C[C@@H](CNc1cnc(C#N)cn1)N(C)C(=O)[C@H]1COC(=O)N1 1104546075 XHIIBXIHYLXPIR-WCBMZHEXSA-N 304.310 -0.285 30 20 DBED C[C@H](CNc1cncc(C#N)n1)N(C)C(=O)C1CS(=O)(=O)C1 1104696851 BWSFWNPWIAJQFL-SECBINFHSA-N 323.378 -0.348 30 20 DBED C=C(C)CCC(=O)N1CC(n2cc(CN[C@H](C)C(N)=O)nn2)C1 1105252386 OJHBRLRTMRJCEU-LLVKDONJSA-N 320.397 -0.019 30 20 DBED Cc1ncsc1C(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1 1105718088 INOQMRNLVTXJJB-VIFPVBQESA-N 318.362 -0.262 30 20 DBED Cc1nnsc1C(=O)NC[C@@H](O)CNc1ccc(C#N)nn1 1105744169 KZEXLTDTHQJVEP-VIFPVBQESA-N 319.350 -0.289 30 20 DBED CC(C)[C@H](C(=O)NC[C@@H](O)CNc1ccc(C#N)nn1)N(C)C 1105917588 KUPAQLBIVRIQJH-GXTWGEPZSA-N 320.397 -0.177 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)CC[C@@H]2NC(=O)NC2=O)C[C@H]1C 1106962338 GFMPTOPHAFCLCR-UPJWGTAASA-N 320.393 -0.318 30 20 DBED N#Cc1c[nH]ccc1=NC/C=C\CNC(=O)CNC(=O)C1CC1 1107061521 NMNFTMHKFOJHKZ-UPHRSURJSA-N 313.361 -0.014 30 20 DBED C#CCNC(=O)CC(=O)NC/C=C/CNc1nccnc1C#N 1107130107 DDCSXPLZNOEHOB-ONEGZZNKSA-N 312.333 -0.428 30 20 DBED CC(=O)N1CC(C(=O)NC/C=C\CNc2cncc(C#N)n2)C1 1107169069 UTCJUFJVXPCNSJ-IHWYPQMZSA-N 314.349 -0.089 30 20 DBED N#Cc1ccc(NC/C=C/CNC(=O)[C@@H]2CNC(=O)N2)nn1 1107489373 DBTOYBSWUSROGF-YOLVWIGZSA-N 301.310 -0.886 30 20 DBED CC(=O)N(C)CCCC(=O)N[C@H](C)CN=c1cc[nH]c(C#N)n1 1107881450 RTLGVSAALKXLIV-LLVKDONJSA-N 318.381 -0.055 30 20 DBED C#CCNC(=O)CN1CCO[C@@](C)(CNC(=O)C#CC2CC2)C1 1107932568 OJVNUKSQBBVGAA-KRWDZBQOSA-N 317.389 -0.644 30 20 DBED C#CCCN1CCO[C@](C)(CNC(=O)C[C@H](C)NC(N)=O)C1 1107942478 TVOLPPAIANWQCY-SWLSCSKDSA-N 310.398 -0.336 30 20 DBED C[C@]1(CNC(=O)CN2CCCCC2=O)CN(CC#N)CCO1 1108047358 BZIQXZYCFYVDLB-HNNXBMFYSA-N 308.382 -0.270 30 20 DBED C=CCN1CCO[C@@](C)(CNC(=O)CCN2C(=O)CCC2=O)C1 1108057837 MKYIRSWEFBGFSK-INIZCTEOSA-N 323.393 -0.081 30 20 DBED C=CCCN1CCO[C@@](C)(CNC(=O)CN2CC(=O)NC2=O)C1 1108283417 BZDTWQHZYCFTBL-HNNXBMFYSA-N 324.381 -0.679 30 20 DBED Cc1cc(C#N)nc(NC[C@H](C)NC(=O)[C@@H]2CCNC2=O)n1 1108635283 JNBVRBFKGRQDNL-GXSJLCMTSA-N 302.338 -0.291 30 20 DBED C[C@@H](CNc1ccc(C#N)cn1)NC(=O)[C@H]1CN(C)C(=O)N1 1108635630 NSTROXXXCAGZLV-GXSJLCMTSA-N 302.338 -0.107 30 20 DBED C[C@@H](CN(C)c1ncnc2c1nnn2C)NC(=O)[C@H](C)C#N 1108880160 NYVZWEBMUGQNAD-BDAKNGLRSA-N 302.342 -0.141 30 20 DBED C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1nc(O)n[nH]1 1109071104 SMYUXNFHADWNAR-VWYCJHECSA-N 307.354 -0.066 30 20 DBED CN(CCCN=c1cc[nH]c(C#N)n1)C(=O)[C@@H]1CCNC(=O)C1 1109427476 HFVRTMWJVDPTLN-LLVKDONJSA-N 316.365 -0.443 30 20 DBED N#Cc1ccc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)CCNC(N)=O)nn1 1109708673 LCINDWZAAUHSMC-DVYJOKAKSA-N 315.337 -0.900 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H](CC)OC 1110368487 CXVFFPMYENDFBL-YIYPIFLZSA-N 307.394 -0.118 30 20 DBED CCC(=O)NCC(=O)N[C@]1(C)CCN(c2cnc(C#N)cn2)C1 1110733835 SSZKHQIQNQGUPD-OAHLLOKOSA-N 316.365 -0.041 30 20 DBED C[C@]1(CN=c2cc[nH]c(C#N)n2)CCN(C(=O)CNC(N)=O)C1 1110829335 WOZGZDRPQQUHEA-CQSZACIVSA-N 317.353 -0.911 30 20 DBED N#Cc1cncc(NCCN(CCO)C(=O)c2ncccn2)n1 1111500950 CDUIKKZRPVIMEO-UHFFFAOYSA-N 313.321 -0.315 30 20 DBED N#Cc1cnc(NCC[C@@H]2CCN(C(=O)CNC(N)=O)C2)cn1 1111593054 AOYUFPWDBAYDIL-SNVBAGLBSA-N 317.353 -0.333 30 20 DBED C=C[C@](C)(O)CC(=O)N1C[C@@H](NCC(N)=O)[C@H](C(F)(F)F)C1 1112092604 GPCGVKDSGLRYLL-LNLATYFQSA-N 323.315 -0.222 30 20 DBED C[C@@H]1C[C@H](NC(=O)CNC(N)=O)CCN1c1ccnc(C#N)n1 1112458052 WBAOHPGPCMMISO-NXEZZACHSA-N 317.353 -0.510 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)c2cnccn2)CC1 1112598688 XRRSTOXRHVMXCB-LBPRGKRZSA-N 303.366 -0.075 30 20 DBED C=CCNC(=O)NC(=O)CN1CCN(C(=O)c2cc[nH]n2)CC1 1112620456 BROUDURQOIZTOF-UHFFFAOYSA-N 320.353 -0.821 30 20 DBED CC(=O)N[C@H](C)C(=O)NC1CC(CN=c2cc[nH]c(C#N)n2)C1 1112813517 BWMLBCUZUXUUHY-OIKLOGQESA-N 316.365 -0.399 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)c2n[nH]c3c2CCC3)CC1 1113059897 FFJVWEHORDUBRF-UHFFFAOYSA-N 316.365 -0.704 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)CCc2cnccn2)CC1 1113494072 IODYHNXLJRQTQV-UHFFFAOYSA-N 316.365 -0.807 30 20 DBED C[C@H](CNC(=O)C1CS(=O)(=O)C1)N(C)c1ccc(C#N)nn1 1113733841 NNWKBXJGYUIRQC-SECBINFHSA-N 323.378 -0.666 30 20 DBED C[C@H](CNC(=O)[C@@H]1CCNC1=O)N(C)c1cncc(C#N)n1 1113802778 UMUAJNDFTRNREA-MWLCHTKSSA-N 302.338 -0.575 30 20 DBED C[C@@H](CNC(=O)[C@H]1CNC(=O)N1)N(C)c1ccc(C#N)cn1 1113868879 DONUSOZCNRTNMB-GXSJLCMTSA-N 302.338 -0.424 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@@H]2CN(CCOCC3CC3)C[C@@H]12 1114170792 XKFZCFRHPKEQPV-ZIAGYGMSSA-N 319.405 -0.401 30 20 DBED N#CCNC(=O)CN1C[C@@H]2C(NC(=O)[C@H]3C[C@@H]3C(F)F)[C@H]2C1 1114220564 SYKMPOUTHHCSQQ-XKNYDFJKSA-N 312.320 -0.426 30 20 DBED COCC#CCN1C[C@@H]2C(NC(=O)CCCn3ccnn3)[C@H]2C1 1114398130 AEPBWLYGYUKYLK-KBPBESRZSA-N 317.393 -0.246 30 20 DBED CC(=O)NCC(=O)N[C@H]1CN(c2cnc(C#N)cn2)CC1(C)C 1114419497 LUXCMZHHBCDLOA-LBPRGKRZSA-N 316.365 -0.185 30 20 DBED C#C[C@@H](C)N(C)C(=O)C(=O)Nc1ccn(CC(=O)N(C)C)n1 1116821076 GIBXHEPTZTXBIK-SNVBAGLBSA-N 305.338 -0.610 30 20 DBED CN(C)C(=O)CC1CCN(C(=O)NCC(=O)NCC#N)CC1 1117478349 UFLVHMYWPGRZDJ-UHFFFAOYSA-N 309.370 -0.474 30 20 DBED C=CCn1cc(CNC(=O)C(=O)NCc2ccnn2CC)nn1 1118722791 QEXLSFKSCNMPKX-UHFFFAOYSA-N 317.353 -0.387 30 20 DBED C[C@@H]1CN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CCN1 1118949305 YHGWBCQRZZNTMB-YPMHNXCESA-N 305.382 -0.995 30 20 DBED COCCO[C@@H]1C[C@H](CO)CN(C(=O)NCC#CCO)C1 1119617773 UOGSEZVSEJDPER-QWHCGFSZSA-N 300.355 -0.963 30 20 DBED C[C@H](CN(C)C(=O)[C@H]1CCNC1=O)Nc1ccc(C#N)nn1 1120407813 JTPRPSUTUNKIDT-KOLCDFICSA-N 302.338 -0.257 30 20 DBED Cc1nc(N[C@H](CO)CNC(=O)[C@@H](C)C#N)nc(N(C)C)n1 1121212755 ITVFWWQHPCJQDK-WPRPVWTQSA-N 307.358 -0.705 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)C[C@@H]2CCC(=O)N2)cn1 1121771857 YIXLVAWXGFPYOJ-GXFFZTMASA-N 317.349 -0.489 30 20 DBED Cc1cc(C#N)nc(N[C@H](CO)CNC(=O)[C@]2(C)CCOC2)n1 1121914381 NUZUAGNOCKGSDH-SWLSCSKDSA-N 319.365 -0.028 30 20 DBED C[C@H](CC(=O)NC[C@H](CO)Nc1ncccc1C#N)NC(N)=O 1122071572 RBBDUENEVPXEFD-MWLCHTKSSA-N 320.353 -0.711 30 20 DBED Cc1ncc(CC(=O)NC[C@H](CO)Nc2nccnc2C#N)o1 1122190343 OMQCXKWRVIBHOF-SNVBAGLBSA-N 316.321 -0.224 30 20 DBED Cc1cc(C#N)nc(N[C@H](CO)CNC(=O)c2csnn2)n1 1122365668 UOIRZUHRBTWZPE-VIFPVBQESA-N 319.350 -0.289 30 20 DBED COC[C@@H](OC)C(=O)NC[C@H](CO)Nc1ccc(C#N)c(C)n1 1122464792 CDQVNONUQVXGJD-CHWSQXEVSA-N 322.365 -0.188 30 20 DBED C[C@@H]1C[C@@H](Nc2ccc(C#N)nn2)CN1C(=O)CNC(N)=O 1123146177 IYIVDPPADOFNLH-PSASIEDQSA-N 303.326 -0.582 30 20 DBED CC(=O)N[C@@H](C)C(=O)N(C)C[C@H](O)CNc1ncccc1C#N 1124060203 UMDRPYHZGFCXBX-GXFFZTMASA-N 319.365 -0.291 30 20 DBED CN(C[C@H](O)CNc1nccnc1C#N)C(=O)C1=CCOCC1 1124256779 OKZNMPPDTRGPBQ-GFCCVEGCSA-N 317.349 -0.074 30 20 DBED C#CCO[C@@H](C)C(=O)NCCNCCc1nnn(C(C)(C)C)n1 1127045590 FOHJLSVTSCWWFS-LBPRGKRZSA-N 322.413 -0.285 30 20 DBED C=CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)COCCOC)C1 1128834684 PBWFHADNBZPARV-KGLIPLIRSA-N 323.397 -0.141 30 20 DBED C#CCC1(C(=O)NCCNC[C@H](O)COCCOC)CCC1 1129125646 ZJQJJXVTXWMWAT-AWEZNQCLSA-N 312.410 -0.090 30 20 DBED C#CCCN[C@@H]1CN(C(=O)C2=COCCO2)C[C@@H]1n1ccnn1 1129553123 PTRVPHNNGVJDMK-OLZOCXBDSA-N 317.349 -0.469 30 20 DBED C[C@H](C#N)C(=O)NCc1nc([C@H]2CCO[C@H]2CNCC#N)n[nH]1 1130202897 NQCMCZIWSFSMSU-VWYCJHECSA-N 317.353 -0.434 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)CN2CCCCC2=O)C1=O 1130762516 WJDBMQSQEUIABZ-ZDUSSCGKSA-N 322.409 -0.508 30 20 DBED CC#CCN1CCOC[C@H]1c1n[nH]c(CNC(=O)COCC)n1 1130831928 RASXLQQNNFVYDE-LBPRGKRZSA-N 321.381 -0.146 30 20 DBED C=CCOCC(=O)N1C[C@H]2C[C@@H]3CN([C@H](C)C(N)=O)C[C@]2(C1)O3 1131197724 QEONIKVRZFAWNU-BRXULGCHSA-N 323.393 -0.636 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)C(C)(C)N1CCCC1 1132286991 QRLMODVPBYBGBR-CYBMUJFWSA-N 308.426 -0.296 30 20 DBED CC#CCCCC(=O)NCCNCC(=O)N[C@H](C)C(=O)N(C)C 1132602205 XEBJNENNCTUGDM-CYBMUJFWSA-N 324.425 -0.521 30 20 DBED C=CCNC[C@H]1CN(C(=O)c2cn(CC(N)=O)nn2)CC[C@H]1C 1133336548 CDXQNKFVMHTKES-NEPJUHHUSA-N 320.397 -0.363 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)CS(=O)(=O)NC)CC[C@@H]1C 1133337455 NSCYFHQRUZWAJO-QWHCGFSZSA-N 315.439 -0.367 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@@H]1CCC[C@@H](C(N)=O)C1 1134614507 ZCKDWKUPRBVPCZ-VXGBXAGGSA-N 310.398 -0.714 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)C(=O)NCC1CC1 1135784477 HTGCAHUUFLUTJO-NWDGAFQWSA-N 322.409 -0.865 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@H](C)Oc1ccccn1 1148114711 SAKAMNXXZQRFQE-LBPRGKRZSA-N 304.350 -0.696 30 20 DBED C=CCC1(C(=O)NCCNCc2nc(=O)n(C)[nH]2)CCOCC1 1149316835 BVKSIHCBWLFPPZ-UHFFFAOYSA-N 323.397 -0.313 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)C2(C(=O)NC)CCC2)C1 1150624749 FDCVXUPDIOTCOF-CYBMUJFWSA-N 307.394 -0.257 30 20 DBED COCC#CCNCCCNC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1163032026 NZSPALHXMZQUAJ-SOUVJXGZSA-N 310.394 -0.216 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)c1cc(OC)ccn1 1163778508 TZCJRZQDURBTRH-LBPRGKRZSA-N 318.377 -0.062 30 20 DBED COCC#CCNCCCNC(=O)COCc1ncnn1C 1169829408 URYSBEPGIQIRRJ-UHFFFAOYSA-N 309.370 -0.923 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC[C@H](NCC(=O)NC(N)=O)[C@@H]1C 1178573105 YSSGIJIPWMPEGU-PKFCDNJMSA-N 312.370 -0.913 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)Cc2ncc[nH]2)[C@H]1C 1179787578 MHZYWGRKJKKVMZ-RYUDHWBXSA-N 305.382 -0.167 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](C)[C@](C)(CNCC(=O)NCC#N)C1 1180914873 WVXITSRFBMVJQJ-YWPYICTPSA-N 305.382 -0.140 30 20 DBED CC(=O)NCCOCCN[C@@H]1CCN(C(=O)C#CC(C)C)C1 1182422955 JWMYUPZAAMZRGK-OAHLLOKOSA-N 309.410 -0.011 30 20 DBED C[C@@H]1CN(C(=O)CN2CC(=O)N(C)C2=O)C[C@@]1(C)CNCC#N 1183143984 ZIPKLYLELSNCEM-IAQYHMDHSA-N 321.381 -0.522 30 20 DBED C#CCC1(C(=O)N2CC[C@@H](NCC(=O)NC(N)=O)C2)CCC1 1183185824 WDAYBMNCQVDRMH-LLVKDONJSA-N 306.366 -0.435 30 20 DBED C#CCCNC[C@H]1CCN(C(=O)Cn2ncn(C)c2=O)C[C@@H]1C 1184684691 SHCHYAOBICPCNZ-UONOGXRCSA-N 319.409 -0.321 30 20 DBED C#CCNC[C@@H]1CCN(C(=O)Cn2nc(C)n(C)c2=O)C[C@@H]1C 1185594563 FPHUSVDTPOLGNN-JSGCOSHPSA-N 319.409 -0.402 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CN(CCOCCO)C[C@H]21 1187866079 YLIPEJFIVAKLSU-SOUVJXGZSA-N 310.394 -0.434 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2cnns2)C1 1189058317 GDYUGNGMJWMTBA-SNVBAGLBSA-N 307.379 -0.566 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 1192298286 JYXLGJSZDIZXOL-ZIAGYGMSSA-N 302.334 -0.689 30 20 DBED C=C(C)CCC(=O)N[C@@H]1CN([C@H](C)c2nnnn2C)C[C@H]1O 1193400491 RQQNPXBNRHUVRH-IJLUTSLNSA-N 308.386 -0.211 30 20 DBED C=CCCCN1C[C@@H](O)[C@H](NC(=O)c2cc(=O)n(C)cn2)C1 1193875367 QQRFDWBHLZAVJE-CHWSQXEVSA-N 306.366 -0.479 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC23CC3)C1 1194062908 CRQRIENRBOLZRY-BFHYXJOUSA-N 319.405 -0.523 30 20 DBED COCC#CCN1CCCN(C(=O)Cn2cnnc2O)CC1 1195556312 WLEURMYTZQAIDN-UHFFFAOYSA-N 307.354 -0.832 30 20 DBED COCC#CCN1CCCN(C(=O)[C@H]2CC[C@@H]2C(N)=O)CC1 1196724075 APWLGVBOVKBJNL-KBPBESRZSA-N 307.394 -0.318 30 20 DBED CCC[C@@H](OC)C(=O)N1CCCN(CC(=O)NCC#N)CC1 1196731824 IKSPMCKTMLKCSH-CYBMUJFWSA-N 310.398 -0.024 30 20 DBED C#CCNC1CCN(C(=O)CNS(=O)(=O)CCCC)CC1 1203518026 NIDYTBFKWOCRGJ-UHFFFAOYSA-N 315.439 -0.080 30 20 DBED C#CCCN[C@@H]1C[C@@H](NC(=O)Cn2c(O)nnc2O)C12CCC2 1203661800 WEGOBEKUKMIRSO-GHMZBOCLSA-N 319.365 -0.270 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)c2cc(C)[nH]n2)C1 1207540426 UHZKIDYJQUCRDP-LBPRGKRZSA-N 303.366 -0.338 30 20 DBED N#CCN[C@@H]1CCCN(C(=O)CCC(=O)N2CCOCC2)C1 1210966098 NJDTYXQICJFMKL-CYBMUJFWSA-N 308.382 -0.270 30 20 DBED C=CCN(CC=C)C(=O)CN[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1C 1214373004 JCEHQDARDRHWBL-CHWSQXEVSA-N 322.409 -0.501 30 20 DBED CCc1nc(C(=O)N2C[C@@H](NCC(=O)NCC#N)[C@H](C)C2)co1 1214488041 CKWHAHGUJOKTIE-GHMZBOCLSA-N 319.365 -0.073 30 20 DBED C#CCCCC(=O)N1CCO[C@@H]2CN([C@H]3CCCNC3=O)C[C@@H]21 1217758793 TWQXXRJUXVWAMK-SOUVJXGZSA-N 319.405 -0.020 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)COCC=C)C1 1219366114 RNMUGISNHHNLEH-UPJWGTAASA-N 311.382 -0.959 30 20 DBED N#Cc1ccc(CN2C[C@H](O)[C@H](NC(=O)CC(N)=O)C2)cc1 1219403167 SYQNLJOVPYKZNH-OLZOCXBDSA-N 302.334 -0.905 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(CC(=O)NCC2CC2)C[C@@H]1O 1219531983 DEJCUWLMIVDIMA-KGLIPLIRSA-N 307.394 -0.523 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(Cc2nc(N(C)C)no2)C[C@@H]1O 1219532408 XYSXJOXICXDNSN-NEPJUHHUSA-N 321.381 -0.400 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2occc2CC)C1 1220278675 DFLPMFJMGABKDE-OLZOCXBDSA-N 321.377 -0.081 30 20 DBED C=C[C@@](C)(O)CC(=O)N1C[C@H]2CCN(Cc3nc(O)n[nH]3)C[C@H]21 1221517890 MZOMOBHJMHUVFG-UEKVPHQBSA-N 321.381 -0.130 30 20 DBED CO[C@H](C)C(=O)N1CC[C@H]2CCN(CC(=O)NCC#N)[C@H]2C1 1222348352 NJHGOYUOBKIHMY-UPJWGTAASA-N 308.382 -0.416 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC(NC(=O)[C@H](O)C(C)C)CC1 1227211864 OQWABXYWAIYBAS-GXTWGEPZSA-N 309.410 -0.278 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)CCc1nc[nH]n1 1233561698 URXOULJYLANZGA-GFCCVEGCSA-N 318.381 -0.981 30 20 DBED C=CC[C@@H](NC(=O)C1=NN(CCO)C(=O)CC1)C(=O)OCC 1323831538 ZPICEMAUMJXTLA-LLVKDONJSA-N 311.338 -0.419 30 20 DBED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2nocc2C)CC1 1325267487 DQZZBLDFTBJEAW-UHFFFAOYSA-N 318.333 -0.090 30 20 DBED C#C[C@H](NC(=O)C(=O)NCCOCC(F)F)[C@@H]1CCCO1 1327465695 NSSTZHWBIBXTIJ-UWVGGRQHSA-N 304.293 -0.319 30 20 DBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[C@@H](NC(N)=O)C1 1327753385 UUSRATDVCDISST-TUAOUCFPSA-N 324.381 -0.647 30 20 DBED C#CCSCCNC(=O)C(=O)N[C@H](C)CO[C@@H]1CCOC1 1329421434 RUGPHLOYDDRKPR-VXGBXAGGSA-N 314.407 -0.221 30 20 DBED C[C@H]1CN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CCN1 1332039240 YHGWBCQRZZNTMB-AAEUAGOBSA-N 305.382 -0.995 30 20 DBED C=CCN(C(=O)C(=O)N[C@@H]1CCCN(C)C1=O)[C@@H](C)COC 1332480737 JCRLHGJSTKZFNP-NWDGAFQWSA-N 311.382 -0.227 30 20 DBED C=CCn1cc(Cn2nnnc2N2[C@H]3CC[C@H]2COC3)nn1 1337678480 FEGIOCPCJDBKNC-RYUDHWBXSA-N 302.342 -0.134 30 20 DBED C#CCNCC(=O)N1CCCN(CC(=O)N(CC)CC)CC1 1341261170 FTWFSTUCEVBEFF-UHFFFAOYSA-N 308.426 -0.388 30 20 DBED C[S@](=O)CCNC(=O)C(=O)NCc1ccc(OCC#N)cc1 1341800039 PXCBOQQYIWXXIU-QFIPXVFZSA-N 323.374 -0.300 30 20 DBED C=C(C)Cn1c(C[C@@H](C)O)nnc1N1CCO[C@@H](C(=O)NC)C1 1342110795 GXXPKBFPDDHEQS-VXGBXAGGSA-N 323.397 -0.271 30 20 DBED C#C[C@@H](NC(=O)C1(CS(C)(=O)=O)COC1)[C@@H]1CCCO1 1346762785 CCWYPHCHKHNWHF-MNOVXSKESA-N 301.364 -0.655 30 20 DBED CC(=O)NCCN(C)C(=O)C(=O)NCCc1ccc(C#N)cc1 1346993876 ASQLFBGDLKVAPR-UHFFFAOYSA-N 316.361 -0.189 30 20 DBED C=CCn1cc(CNC(=O)C(=O)NC[C@H]2CCC=CO2)nn1 1349025067 OQKTUBLRTPGEBN-GFCCVEGCSA-N 305.338 -0.111 30 20 DBED COCCOC[C@H](C)NC(=O)C(=O)N1CC[C@](O)(CC#N)C1 1349224468 YTRRFJNPHDYGDB-SMDDNHRTSA-N 313.354 -0.969 30 20 DBED CC(C)C[C@H](CN)NC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1349802657 JTPVGHMODOYMGY-TZMCWYRMSA-N 321.425 -0.325 30 20 DBED CC(C)CC[C@@H](CO)NC(=O)Cn1cc(C#N)c(O)nc1=O 1362669524 FETPQLZXKRZUAZ-NSHDSACASA-N 308.338 -0.266 30 20 DBED CN(C)CC1(NC(=O)Cn2cc(C#N)c(O)nc2=O)CCC1 1362739266 BWMJSKXCEORAGN-UHFFFAOYSA-N 305.338 -0.579 30 20 DBED N#Cc1cn(CCNC(=O)CCc2cccnc2)c(=O)nc1O 1363481605 ICZUCXCFDOHQTI-UHFFFAOYSA-N 313.317 -0.035 30 20 DBED CC(=O)N[C@H]1CCN(CCS(=O)(=O)c2ccc(C#N)cn2)C1 1364447034 STCGPAIYQHNEPV-ZDUSSCGKSA-N 322.390 -0.063 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H](CNC(=O)c1cn(C)c(=O)n1C)C1CC1 1372385873 AIDXWUXEQQTUAL-ONGXEEELSA-N 319.365 -0.492 30 20 DBED COc1cccc(CN2CC(O)(CNC(=O)[C@H](C)C#N)C2)n1 1393307519 XHGLAMBPCGEDDM-LLVKDONJSA-N 304.350 -0.087 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCNC(=O)Cc1nnn(C(C)(C)C)n1 1397925626 WYLFTPMKUIOHLW-JTQLQIEISA-N 321.385 -0.295 30 20 DBED CCCN(C(=O)Cn1cnnn1)[C@H]1CCN(C(=O)[C@@H](C)C#N)C1 1408963912 BOAYVLAKGGRMJE-RYUDHWBXSA-N 319.369 -0.328 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@](C)(CNC(=O)CCNC(N)=O)C1 1411118627 LUPOYPIWQVAUQG-NHYWBVRUSA-N 323.397 -0.051 30 20 DBED CC(C)(C)[C@@H](CO)NC(=O)CCn1cc(C#N)c(O)nc1=O 1412001022 ARUGRYXHZHCNIT-SNVBAGLBSA-N 308.338 -0.266 30 20 DBED COC[C@@H](C)C(=O)NCCN1CCN(C(=O)[C@H](C)C#N)CC1 1414744155 ABNVLWXAUIICSJ-CHWSQXEVSA-N 310.398 -0.311 30 20 DBED CC1(CO)CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)CC1 1417708997 BMSPBJFBJXSLFA-UHFFFAOYSA-N 320.349 -0.168 30 20 DBED COCCN(CCNC(=O)[C@H](C)C#N)C(=O)c1cncn1C 1428421871 HAXIVDWBHGTZMF-LLVKDONJSA-N 307.354 -0.215 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](NC(=O)Cn1cnnn1)C(C)(C)C 1444875990 TVKOAAGHZHHYKT-ZJUUUORDSA-N 307.358 -0.520 30 20 DBED Cn1ncc(C(=O)NC[C@H](O)CNCc2ccc(C#N)s2)n1 1445259576 UQJNAEOHGVXJGI-SECBINFHSA-N 320.378 -0.371 30 20 DBED C=C(Cl)CNC[C@H](O)CN(C)C(=O)CCc1nc[nH]n1 1449105233 ARBXWXKSDNKFST-JTQLQIEISA-N 301.778 -0.101 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CCN(C(=O)CCn2cncn2)C1 1454811895 LCPLICQTBBOHPO-NWDGAFQWSA-N 304.354 -0.207 30 20 DBED C=CCn1c(CN2CCC(O)CC2)nnc1N1CCNC(=O)C1 1520355232 FWAHHKZFIVUFPY-UHFFFAOYSA-N 320.397 -0.643 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1cn(C(C)(C)C)nn1 1533287153 KJUVLFJSAAJINM-VHSXEESVSA-N 322.369 -0.600 30 20 DBED CN(CC(C)(C)C#N)C(=O)NCCn1cnc(-c2nn[nH]n2)n1 1579010648 KTWFIVLNYQYALZ-UHFFFAOYSA-N 318.345 -0.351 30 20 DBED C#CC[C@@H](NC(=O)c1oc(S(N)(=O)=O)cc1C)C(=O)O 1588421890 PPUDMAFRPBVEFK-SSDOTTSWSA-N 300.292 -0.558 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N[C@H](C[C@@H]1CCCO1)C(=O)O 1589330549 JJGJQEDGRPZCNS-OUAUKWLOSA-N 319.383 -0.065 30 20 DBED CN(CCC#N)S(=O)(=O)NCc1ccc(-c2nn[nH]n2)cn1 1591061706 CBCDVABKBPUVPE-UHFFFAOYSA-N 322.354 -0.558 30 20 DBED N#Cc1nc(N2CCN(C3CC3)C(=O)C2)cnc1-c1nn[nH]n1 1592706248 DWVZSEQBBVFZAF-UHFFFAOYSA-N 311.309 -0.661 30 20 DBED N#C[C@H]1CN(S(=O)(=O)N(CC(=O)O)C2CCCC2)CCO1 1601062199 BKFGKJUEWHXSQW-NSHDSACASA-N 317.367 -0.215 30 20 DBED C#C[C@H]1CCCN(C(=O)C(=O)NC2CCN(CC(=O)O)CC2)C1 1602674777 DBNAAJGTMXZQAB-LBPRGKRZSA-N 321.377 -0.477 30 20 DBED C#CCN(CC(=O)O)c1nnc([C@@]2(C)CCC(=O)NC2)n1C 1602700803 JWMYTMCQJLYKCR-AWEZNQCLSA-N 305.338 -0.493 30 20 DBED C#CCN1CCC[C@@H](NS(=O)(=O)c2n[nH]cc2C(=O)O)C1 1602719813 FJOCQGOOJJRDCU-SECBINFHSA-N 312.351 -0.516 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCN=c1cc[nH]cc1-c1nn[nH]n1 1602793079 KHCPGPPQSUNOFG-CQSZACIVSA-N 317.353 -0.461 30 20 DBED C=CCOCC(=O)NC[C@H](C)Nc1ccc(-c2nn[nH]n2)nn1 1602867985 GKSWFYFIMZRMRT-VIFPVBQESA-N 318.341 -0.224 30 20 DBED C[C@@H]1C[C@H](C(=O)O)CN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)C1 1603354063 FHKIJJYNVLLEKS-ZETOZRRWSA-N 323.349 -0.567 30 20 DBED CN(C)[S@@](C)(=O)=NC(=O)Cn1cnc(C#N)c1-c1nn[nH]n1 1604695073 TVLNZVSBISWDCH-QFIPXVFZSA-N 323.342 -0.964 30 20 DBED CN1C[C@@H](C(=O)O)N(S(=O)(=O)c2ccccc2C#N)CC1=O 1606203807 OKKZNIXFMIETRS-JTQLQIEISA-N 323.330 -0.526 30 20 DBED N#Cc1c[nH]c(C(=O)NC2(CNC(=O)[C@H]3C[C@H]3C(=O)O)CC2)c1 1608195845 YQVKCXAOYWUBPH-VHSXEESVSA-N 316.317 -0.014 30 20 DBED CC#CCNC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)cc1OC 1609060545 PQOUKCMLBFYOIX-UHFFFAOYSA-N 314.305 -0.047 30 20 DBED C[C@@H](C(=O)N(C)CCC#N)N1CC[C@@H](n2cc(C(=O)O)nn2)C1 1609631827 RDSPBUIZKYFCBY-WDEREUQCSA-N 320.353 -0.016 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@H]1CCCN1C(=O)c1n[nH]cc1F 1698732099 KWNUSZUGJXHIGH-GHMZBOCLSA-N 321.356 -0.119 30 20 DBED C[C@H](CNC(=O)c1cnc2[nH]ncc2c1)NCC(=O)NCC#N 1752884605 PZLHKUUTOGZDMA-SECBINFHSA-N 315.337 -0.694 30 20 DBED CCN(CCNC(=O)CSCC#N)[C@@H](C)C(=O)NC(N)=O 1753078815 PTEUQZRPOLOKIK-VIFPVBQESA-N 315.399 -0.735 30 20 DBED CC[C@@H](CNC(=O)CSCC#N)N[C@H]1CCC(=O)NC1=O 1753466545 KXAOCUGVMYBCHQ-UWVGGRQHSA-N 312.395 -0.467 30 20 DBED CC#CCN[C@@H](CC)CNC(=O)CN1CCS(=O)(=O)CC1 1753494807 NGOMJVGTUZHMPQ-ZDUSSCGKSA-N 315.439 -0.776 30 20 DBED C#CCCN[C@@H](CNC(=O)CN1CCN(C)C(=O)C1)C(C)C 1753835718 UNTGJNQEDRCEEB-AWEZNQCLSA-N 308.426 -0.486 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@@H]1CNC(=O)Cc1cnn(C)c1 1754475196 MCAXJQJEOHBKMB-TZMCWYRMSA-N 317.393 -0.709 30 20 DBED CC#CCN1CC[C@](O)(CNC(=O)CCc2nccn2C)C1 1754755985 DVEUMRXMYSVPJY-INIZCTEOSA-N 304.394 -0.071 30 20 DBED CNC(=O)[C@@H](C)N1CCC[C@@](CO)(NC(=O)C#CC2CC2)C1 1754856050 CBRSNCHVRJKWDS-MLGOLLRUSA-N 307.394 -0.523 30 20 DBED C#CCCNCC1(NC(=O)C(=O)NCC(F)F)CCOCC1 1755095283 BWGDKYHFHODAGG-UHFFFAOYSA-N 317.336 -0.354 30 20 DBED C[C@@H](CC(N)=O)C(=O)N1CCC(C)(NCC(=O)NCC#N)CC1 1755132348 XWGOVUIRVNINSK-NSHDSACASA-N 323.397 -0.892 30 20 DBED C=C(C)CN[C@H](C)[C@@H](C)NC(=O)CCn1cc[nH]c(=O)c1=O 1755260199 NCTYNJUFIOHJDW-VXGBXAGGSA-N 308.382 -0.014 30 20 DBED C#CCNC(=O)CN1CC([C@@H](C)NC(=O)Cc2ccn(C)n2)C1 1755373946 NPXFLELBSVCNQU-GFCCVEGCSA-N 317.393 -0.852 30 20 DBED C[C@]1(C(=O)NCC2[C@H]3CN(CC#N)C[C@H]23)CCCS1(=O)=O 1755431181 WNCQXQFWQGRHFL-YRGRVCCFSA-N 311.407 -0.229 30 20 DBED N#CCSCC(=O)N[C@H]1C[C@H](CNCc2nc(O)n[nH]2)C1 1755466396 RCYMMCNMNXHSFN-KYZUINATSA-N 310.383 -0.249 30 20 DBED N#CCNCCCOCCNC(=O)c1cnc2n1CCOC2 1755554020 USKKTDZIXOQXNI-UHFFFAOYSA-N 307.354 -0.337 30 20 DBED CC#CCN[C@H]1C[C@@H](C)N(C(=O)CN2CCC(=O)NC2=O)C1 1755690063 MHJSCXKXDNRAQM-NEPJUHHUSA-N 306.366 -0.469 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](CCCC)NC(=O)C(N)=O 1756116688 QRYITSHKWBORJE-TUAOUCFPSA-N 311.382 -0.146 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@H](NC(=O)CC(N)=O)C(C)(C)C1 1756178843 OGOOUQMRTMVSPR-MNOVXSKESA-N 309.366 -0.747 30 20 DBED C=C(C)CCC(=O)NCC1[C@@H]2CN(C(=O)[C@H]3CNC(=O)N3)C[C@@H]12 1756202590 ASEAIEGFGOTIMD-RWMBFGLXSA-N 320.393 -0.155 30 20 DBED C=C[C@](C)(O)CC(=O)N1C[C@@H](O)[C@H](NC(=O)C#CC(C)C)C1 1756993783 OIDRAQRUFYGPSC-IOASZLSFSA-N 308.378 -0.339 30 20 DBED N#CCSCC(=O)N1C[C@H](O)[C@H](NC(=O)c2ncccn2)C1 1757202403 QQRZNPGIJGCJLO-ZJUUUORDSA-N 321.362 -0.965 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCC[C@](O)(C(=O)O)C1 1776857417 GQMRQVZTFOMNRZ-ZYHUDNBSSA-N 319.383 -0.376 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ncccn1)CCO2 1783049807 UOGRCMSRFSFJGU-OAHLLOKOSA-N 300.318 -0.447 30 20 DBED C=CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=NNC(=O)C1 1797686507 DVDREMZTTHCJSG-WDAIWFPHSA-N 320.349 -0.972 30 20 DBED C#CC(=O)N[C@H]1CCc2nc(NC(=O)CNC(=N)N)sc2C1 1814828094 ZMBFHOSSFUNDLX-ZETCQYMHSA-N 320.378 -0.829 30 20 DBED N#Cc1ccc(CNC(=O)CN2CCS(=O)(=O)CC2)cc1 52506736 PWPJILWVVXZTBK-UHFFFAOYSA-N 307.375 -0.095 30 20 DBED CCN(CC#N)C(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 68240896 OUXLRGNRRWPWJU-MNOVXSKESA-N 313.379 -0.606 30 20 DBED CC(C)[C@H](C#N)N1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 109266503 LLQTYVRUKPYFGT-NSHDSACASA-N 321.341 -0.121 30 20 DBED Cc1csc(C/C(N)=N/OCc2cc(=O)n(C)c(=O)n2C)n1 193346557 HVWJNWBLJKLMFP-UHFFFAOYSA-N 323.378 -0.120 30 20 DBED Cc1cc(S(=O)(=O)N[C@@H]2CC(=O)N(C)C2=O)ccc1C#N 234316451 OFPYAVJQUIGGIJ-LLVKDONJSA-N 307.331 -0.098 30 20 DBED C[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1cccc(OCC#N)c1 275804510 DIPBYMWGHHPLTK-JTQLQIEISA-N 316.317 -0.126 30 20 DBED CCOC(=O)CO/N=C(/C(=O)N[C@@]1(C)CCOC1)c1cc[nH]n1 278668154 OOXHJKHLDLZRJR-QCUKBLKESA-N 324.337 -0.011 30 20 DBED CC(C)S(=O)(=O)CCNc1c(C#N)c(=O)n(C)c(=O)n1C 288680977 ARBAWGXBFVBNAZ-UHFFFAOYSA-N 314.367 -0.809 30 20 DBED C#CCCS(=O)(=O)N1CCN(S(=O)(=O)CCC#C)CC1 288954081 WAMDZLVEBCVVDH-UHFFFAOYSA-N 318.420 -0.690 30 20 DBED C=CCCOCCNC(=O)C(=O)Nc1c(C(=O)OC)cnn1C 293723690 SKEXONXMSQHXJQ-UHFFFAOYSA-N 324.337 -0.146 30 20 DBED CS(=O)(=O)N1CCC[C@@H]1C/N=C(/O)N1CCC[C@@H](O)C1 328734001 JVIKSXYPEOCTEC-GHMZBOCLSA-N 305.400 -0.219 30 20 DBED CC/N=C(/O)NC(=O)[C@H](C)N1CC[C@@H](S(=O)(=O)NCC)C1 330624187 FXSLHYILCMKSNJ-VHSXEESVSA-N 320.415 -0.561 30 20 DBED C[C@H]1COCCN1CCNS(=O)(=O)c1ccc(C#N)nc1 331264191 ALTNTNAXWFWDHY-NSHDSACASA-N 310.379 -0.048 30 20 DBED Cn1cc(N2CCC[C@@H](NC(=O)Cn3cnc(C#N)n3)C2)cn1 331474388 NATIESZUAKRNMG-LLVKDONJSA-N 314.353 -0.332 30 20 DBED CN(C)S(=O)(=O)c1cnn(CC(=O)NC2(C#N)CCC2)c1 332044103 YDZPNGXECVBTTR-UHFFFAOYSA-N 311.367 -0.304 30 20 DBED CCC[C@@H](C#N)N(C)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O 340371209 HBUJRVOQZTYPDA-VIFPVBQESA-N 314.367 -0.603 30 20 DBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CCNC(N)=O 342364589 USQVQHSMRSQGME-SNVBAGLBSA-N 317.353 -0.556 30 20 DBED N#Cc1ncn(CC(=O)NCCn2cc(Br)cn2)n1 343192696 OHEXBSYIXLHCJD-UHFFFAOYSA-N 324.142 -0.075 30 20 DBED C=C[C@H](CO)NC(=O)Nc1cnn(CC(=O)NCCOC)c1 350187777 XZCBQDUHAZVFOY-SNVBAGLBSA-N 311.342 -0.686 30 20 DBED N#CCNC(=O)CNC(=O)C(=O)Nc1cccc2c1CCO2 357295688 WVRCADXZRUTALV-UHFFFAOYSA-N 302.290 -0.684 30 20 DBED N#C[C@@H]1CN(C(=O)CNC(=O)Cc2ccc(O)cc2)CCO1 357602683 HJZIHSXVRYXYAR-CYBMUJFWSA-N 303.318 -0.198 30 20 DBED CC(C)(C#N)CNC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 358627648 KCJZGBQURPVVNU-UHFFFAOYSA-N 321.381 -0.331 30 20 DBED C=CCNC(=O)CNC(=O)[C@@H](C)N1C(=O)NC2(CCCC2)C1=O 367604591 ATFKYLQCULNYIU-SNVBAGLBSA-N 322.365 -0.342 30 20 DBED C[C@H]1Oc2ccccc2N(CC(=O)NCC(=O)NCC#N)C1=O 376200515 ZMSFDWNRAYYTAL-SNVBAGLBSA-N 316.317 -0.444 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CCSC[C@@H]1C(=O)O 417472071 IEUGQPJVKMWTMF-SECBINFHSA-N 307.397 -0.031 30 20 DBED CC#CCNC(=O)C(=O)Nc1ccc(CNS(C)(=O)=O)cc1 440601244 KSRAYIJSIHKUPV-UHFFFAOYSA-N 323.374 -0.186 30 20 DBED C#CCNC(=O)C1CCN(S(=O)(=O)c2c(C)cnn2C)CC1 491072032 PEQORZSPECPSNM-UHFFFAOYSA-N 324.406 -0.121 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2ccc(C#N)n2C)CC1 491697615 RIVWTKDQYKDXJX-UHFFFAOYSA-N 313.361 -0.596 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2nccn2CC)CC1 491778417 YMJPCVCFICAVPS-UHFFFAOYSA-N 303.366 -0.590 30 20 DBED CC[C@H](C)[C@@H](NC(=O)Cn1cnc(C#N)cc1=O)C(=O)OC 514672047 IYBQLWIBFOYWMD-TVQRCGJNSA-N 306.322 -0.181 30 20 DBED N#Cc1cccc(S(=O)(=O)NCC(=O)NCCCCO)c1 569774505 MMYBTCPWJFLGEW-UHFFFAOYSA-N 311.363 -0.275 30 20 DBED C[C@H](CN1CCOCC1)N(C)C(=O)NCCn1cnc(C#N)n1 571831696 YPBYXBVTAZRYBK-GFCCVEGCSA-N 321.385 -0.488 30 20 DBED N#CCNC(=O)CNC(=O)NC[C@H](O)COc1ccccc1 582379356 FGLMJJNSALJCBV-NSHDSACASA-N 306.322 -0.635 30 20 DBED CN(CCN1CCCCC1)c1c(C#N)c(=O)n(C)c(=O)n1C 593518430 ZJPHOEGGHTYZIR-UHFFFAOYSA-N 305.382 -0.122 30 20 DBED N#CCCN(Cc1cccnc1)C(=O)[C@@H]1CC(=O)NC(=O)N1 596964094 CEBWSJAHJXNWKM-NSHDSACASA-N 301.306 -0.078 30 20 DBED N#Cc1ccc(N2CCC(N=c3[nH]c(=N)[nH]c(=N)[nH]3)CC2)nc1 599041943 ZRJHCAXOYSFLFS-UHFFFAOYSA-N 311.353 -0.534 30 20 DBED C[C@@H](CCC#N)CN1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 602625677 GHKZLQCSAZGSCI-LBPRGKRZSA-N 320.397 -0.112 30 20 DBED CNC(=O)CN1CCC(NC(=O)Nc2nn(C)cc2C#N)CC1 610561374 UMSCUXHAZGPMQL-UHFFFAOYSA-N 319.369 -0.376 30 20 DBED CC(C)[C@H](C#N)N1CCN(CC(=O)N2CCN(C)CC2)CC1 611432027 IXNWRWBSZYYFOI-HNNXBMFYSA-N 307.442 -0.074 30 20 DBED C=C(C)C[C@H](NC(=O)CCN1CCCS1(=O)=O)C(=O)O 630324378 CUABGBWCWDNLET-JTQLQIEISA-N 304.368 -0.052 30 20 DBED CC#CC[C@@H](CO)NC(=O)c1csc(S(N)(=O)=O)c1 649192749 OXCLNWOHTUAKNN-VIFPVBQESA-N 302.377 -0.100 30 20 DBED CC(C)OCCS(=O)(=O)NCC(=O)N=C1C[C@@H](C)ON1 765370033 UBBNWWSXYFPBGI-SECBINFHSA-N 307.372 -0.431 30 20 DBED C#CCN1CCC(C(=O)O[C@@H](C)C(=O)NCC(=O)OC)CC1 772115407 FNLQTALPYGMWPQ-NSHDSACASA-N 310.350 -0.448 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1C[C@H](CO)C[C@@H](OCCOC)C1 772796500 VCFQIGUEGNKOMV-OAGGEKHMSA-N 324.421 -0.044 30 20 DBED C#C[C@H](NC(=O)N1CC[C@H](S(N)(=O)=O)C1)[C@@H]1CCCO1 774976654 IUJMFABDOANOTE-DCAQKATOSA-N 301.368 -0.760 30 20 DBED CC(C)[C@@](C)(C#N)NC(=O)COC(=O)Cn1cc([C@@H](C)O)nn1 777116768 WABQUOWJLXZSRA-QMTHXVAHSA-N 323.353 -0.071 30 20 DBED CC(C)(C(=O)OCC(=O)NCCC#N)S(=O)(=O)C1CC1 792641667 GKGBFLLQGGNERV-UHFFFAOYSA-N 302.352 -0.085 30 20 DBED CC(C)(C)[S@@](=O)CCNS(=O)(=O)N1CCO[C@H](C#N)C1 800055188 OGYCVSXELYZSJP-DGIBIBHMSA-N 323.440 -0.408 30 20 DBED COC(=O)c1c(F)cccc1NN=C1C(=O)NC(=O)NC1=O 814229935 IEVIVIAIHADYTK-UHFFFAOYSA-N 308.225 -0.254 30 20 DBED C#C[C@H](CCC)NC(=O)N1CCN(CC(=O)NCCOC)CC1 820640958 SAUFWFKGPWPEFX-CQSZACIVSA-N 324.425 -0.122 30 20 DBED CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)C#CC(C)C 820704533 MIAYZITVVOGDTH-LBPRGKRZSA-N 314.407 -0.202 30 20 DBED C#CCN1CCN(C(=O)CN2CC[C@@H]3COC(=O)N[C@H]3C2)CC1 830943317 GMFYAMWESKWYPQ-KGLIPLIRSA-N 320.393 -0.806 30 20 DBED C/N=C(/NCCCN(C)CCOC)NCCN1CCOCC1 848993269 SBOVGPBFHXSPAH-UHFFFAOYSA-N 315.462 -0.548 30 20 DBED C#CCN(CC(=O)O)S(=O)(=O)c1csnc1C(=O)OC 849219503 YZZIDADTGJXNNL-UHFFFAOYSA-N 318.332 -0.362 30 20 DBED C#Cc1cccc(NC(=O)C(=O)N2CCC(O)(CO)CC2)c1 850635287 GDTUEMQQBJFNMY-UHFFFAOYSA-N 302.330 -0.048 30 20 DBED C#CCN1CCC(C(=O)N2C[C@H]3C(=O)N(C)C(=O)[C@H]3C2)CC1 871526118 MQWRTOHYCGDOQO-BETUJISGSA-N 303.362 -0.595 30 20 DBED C#CCOCCC(=O)N1CCN(C(=O)N2CCN(C)CC2)CC1 896234275 IOYGSMPTLWEXHK-UHFFFAOYSA-N 322.409 -0.462 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)Cc2cnc[nH]2)CC1 900585434 PEYABYGTMHLRTI-UHFFFAOYSA-N 303.366 -0.764 30 20 DBED COc1cncc(C(=O)N[C@H]2CCN(C(=O)[C@@H](C)C#N)C2)n1 937944954 OJABXOIOBHLWQW-UWVGGRQHSA-N 303.322 -0.024 30 20 DBED Cc1nc(CN2CC(N3CCN(C(=O)[C@@H](C)C#N)CC3)C2)n[nH]1 941349204 WSKRPNKKSGZTSM-NSHDSACASA-N 317.397 -0.399 30 20 DBED C[C@@H](C#N)C(=O)N1CCCN(C(=O)[C@H]2CCCC(=O)N2)CC1 941379760 YTUQZNPUEIGVIC-NWDGAFQWSA-N 306.366 -0.124 30 20 DBED C[C@@H](C#N)C(=O)N1CCCN(C(=O)c2c[nH]c(=O)cn2)CC1 942103824 LBLZSSOLNHHTSN-JTQLQIEISA-N 303.322 -0.396 30 20 DBED CCN(C(=O)[C@H]1CNC(=O)N1)[C@H]1CCN(C(=O)C#CC2CC2)C1 942950782 RDMYBBDPNPNIFI-QWHCGFSZSA-N 318.377 -0.469 30 20 DBED C=CCCn1cc(C(=O)N[C@H]2CCN(CC(N)=O)C[C@H]2C)nn1 943495057 BUSVESYROWTVIX-NEPJUHHUSA-N 320.397 -0.220 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)COC)C[C@H]2OC)cn1 944090667 CWNYTDBCYKEBMA-ZIAGYGMSSA-N 317.345 -0.335 30 20 DBED C#CCCN1CC[C@H](NC(=O)Cn2ccc(O)nc2=O)C[C@@H]1C 947511154 OALNTGLNIHHDLI-STQMWFEESA-N 318.377 -0.059 30 20 DBED O=C(Cc1nc[nH]n1)N[C@H]1CCCN(C(=O)C#CC2CC2)C1 950764521 QIJGHUYVBSNBDS-LBPRGKRZSA-N 301.350 -0.132 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2CCCN(C(=O)C(N)=O)C2)nc1 951854523 ZHPZNCHSJHFAMR-NSHDSACASA-N 300.318 -0.731 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)C(N)=O)[C@@H](C)C2)nc1 955793697 DIDNJSXNJOLKDZ-CMPLNLGQSA-N 314.345 -0.343 30 20 DBED N#CCN1C[C@@H](O)[C@H](CNC(=O)c2ccc3c(c2)NC(=O)C3)C1 958082598 ZCJSFSUWPHZTJQ-TZMCWYRMSA-N 314.345 -0.273 30 20 DBED C[C@H]1CN(C(=O)C(N)=O)C[C@H]1CNC(=O)c1cc(C#N)c[nH]1 959576449 NMZRYJALYBNOAX-WCBMZHEXSA-N 303.322 -0.804 30 20 DBED CCc1cc(C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2O)n[nH]1 961645703 ZWZVHFLASUXOKQ-KGLIPLIRSA-N 316.361 -0.313 30 20 DBED C#Cc1ccccc1CC(=O)N[C@H]1CN(C(=O)C(N)=O)C[C@H]1C 966748389 BXGHRMVFHPTCBU-RISCZKNCSA-N 313.357 -0.341 30 20 DBED CC1(C)CN(C(=O)C(N)=O)CC[C@H]1NC(=O)c1ccc(C#N)[nH]1 967004198 GYWDHBTYGASERG-LLVKDONJSA-N 317.349 -0.271 30 20 DBED CC#CCN1CC[C@@H](C)[C@@H](NC(=O)C2CC(=O)NC(=O)C2)C1 968417558 GDGREYCVBGTDOP-YPMHNXCESA-N 305.378 -0.111 30 20 DBED C=CCN1CC[C@H](C)[C@H](NC(=O)CN2CC(=O)N(C)C2=O)C1 968539458 OJNCPJIAQBFMDF-NWDGAFQWSA-N 308.382 -0.107 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@]2(CN(CC(=O)N3CCC3)CCO2)C1 972297165 HBWHIKSIGBMFKE-CZUORRHYSA-N 320.393 -0.318 30 20 DBED C#CCCN1CCO[C@@]2(CCN(C(=O)[C@H]3CN(C)C(=O)N3)C2)C1 972503559 GXONLRHGCCBGJV-CJNGLKHVSA-N 320.393 -0.663 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)[C@H]3CCCC(=O)N3C)C2)C1 972657835 BIAMSDILQBMCRJ-PBHICJAKSA-N 319.405 -0.066 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)c3cn(C)c(O)n3)[C@H]2C1 977127164 STIXBFLERACOCJ-REIXXSIJSA-N 303.322 -0.528 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)CC(N)=O 977931267 UXRCEUUBTWZZQP-OLZOCXBDSA-N 320.393 -0.981 30 20 DBED C=CCN1C[C@H]2C[C@H](NC(=O)CN3CC(=O)NC3=O)CC[C@H]2C1 980192355 GOVPYHWOCBFSBD-YNEHKIRRSA-N 320.393 -0.059 30 20 DBED N#CCN1C[C@H]2C[C@@H](NC(=O)CN3C(=O)CCC3=O)CC[C@H]2C1 980248364 UEUHECZLMQCGQT-XQQFMLRXSA-N 318.377 -0.124 30 20 DBED CN1CC[C@@H](C(=O)N2CCCN(CC#N)CC2)S1(=O)=O 982165989 WFMZRMLHWFXSLS-NSHDSACASA-N 300.384 -0.922 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)c3cn(C)nn3)C[C@@H]2C1 986049413 ADIAKJHPCAAPLL-UTUOFQBUSA-N 316.365 -0.105 30 20 DBED C[C@@H]1[C@H](NCCN2C(=O)CNC2=O)CCN1C(=O)C#CC1CC1 986288451 UVIGNBJEYSYOGG-DGCLKSJQSA-N 318.377 -0.469 30 20 DBED C[C@@H]1[C@@H](NCC#N)CCN1C(=O)CN1CCCCS1(=O)=O 986569905 CLAPGKOWHQVEGN-NEPJUHHUSA-N 314.411 -0.485 30 20 DBED O=C(N[C@@H]1CCN(C(=O)C#CC2CC2)C[C@H]1O)c1cnco1 991648494 WPHJCWDUCLLIJB-VXGBXAGGSA-N 303.318 -0.220 30 20 DBED C#CCCN1CCC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@H]1C 993367092 PSGOSONJXHMNNH-VXGBXAGGSA-N 318.381 -0.631 30 20 DBED C[C@@H]1[C@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)CCCN1CC#N 994338510 OSJJQACFYNZODX-GHMZBOCLSA-N 321.381 -0.191 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)c3cnn(C)n3)C2)nc1 997088850 YBBZNPUDXDNMFS-UHFFFAOYSA-N 310.317 -0.554 30 20 DBED Cn1c(C(=O)NC2CN(C(=O)c3ccc(C#N)[nH]3)C2)cnc1O 997431185 ZMCNOQROBUXJBL-UHFFFAOYSA-N 314.305 -0.420 30 20 DBED C=CCN1CC[C@H](NC2CC(N(C)C(=O)c3nc[nH]n3)C2)C1=O 999573168 KATVBQMTFSDQJY-MCIGGMRASA-N 318.381 -0.216 30 20 DBED CN1CCC[C@H]1C(=O)NCc1cn([C@H]2CCN(CC#N)C2)nn1 999963888 VCSGGDPLZPIPNH-KBPBESRZSA-N 317.397 -0.241 30 20 DBED N#Cc1cc(C(=O)NC2CCN([C@H]3CCNC3=O)CC2)c[nH]1 1002649079 QITLUKNUFVPUKC-ZDUSSCGKSA-N 301.350 -0.031 30 20 DBED C#Cc1ccccc1CC(=O)N1C[C@@H](NC(=O)C(N)=O)C[C@@H]1C 1013489676 BLDISNZEVKSNSA-FZMZJTMJSA-N 313.357 -0.199 30 20 DBED N#CCN1CCC2(CC1)C[C@H]2NC(=O)C[C@@H]1CC(=O)NC1=O 1017003471 LTPQCZHIXHSCJH-GHMZBOCLSA-N 304.350 -0.467 30 20 DBED CN1CC(=O)N(CC(=O)N2C[C@H]3[C@@H](NCC#N)CC[C@H]3C2)C1=O 1026415357 FVWRUSHNPKIFPB-TUAOUCFPSA-N 319.365 -0.769 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)c3ncccn3)C2)C1=O 1031130758 IAYHRHVRGGPTQQ-LBPRGKRZSA-N 301.350 -0.323 30 20 DBED C=CCN1C[C@@H]2C[C@H]1CN2C(=O)Cn1nc2n(c1=O)CCCC2 1032720013 HPENPQZFEZOPIC-STQMWFEESA-N 317.393 -0.148 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN([C@@H](C)C(=O)NC)C1 1032827187 UEHIWDSVCNCUKV-IHRRRGAJSA-N 306.410 -0.591 30 20 DBED CN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CCN(Cc2nnn(C)n2)C1 1033016710 CLVRIVADBPTEFR-NSHDSACASA-N 314.353 -0.244 30 20 DBED CC#CCN1CC[C@@H](N(CC)C(=O)c2nnc(O)nc2O)C1 1033882389 CMZXONZLLBACPJ-SNVBAGLBSA-N 305.338 -0.158 30 20 DBED C#CCN1CCC(C(=O)N(CC)[C@H]2CCN(CC(N)=O)C2)CC1 1034044423 AXTDZJMODDKSBF-HNNXBMFYSA-N 320.437 -0.260 30 20 DBED C=CCN1CCCC[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 1034531219 JPHAOQNWHPYFKB-NEPJUHHUSA-N 301.412 -0.165 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2[C@H]3C[C@H]2N(Cc2nc(O)n[nH]2)C3)c1 1037581330 DBMZLKDNQFKZMK-OUCADQQQSA-N 324.344 -0.111 30 20 DBED N#CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1ccnc(-n2cncn2)c1 1037751028 VPXOKSWSYCIXHE-MBNYWOFBSA-N 309.333 -0.012 30 20 DBED C#CCCN1CC[C@@H]1CNC(=O)[C@@H]1Cc2cncn2C(=O)N1 1038549109 SZZDZWHNTPNMOT-YPMHNXCESA-N 301.350 -0.421 30 20 DBED C=CCN1CC[C@H](N2CC[C@H]2CNC(=O)[C@@H]2[C@H]3COC[C@H]32)C1=O 1038607509 LONJSGMXVJOSGA-SBJFKYEJSA-N 319.405 -0.144 30 20 DBED O=C(C#CC1CC1)NC[C@@]1(O)CCN(C(=O)c2cncnc2)C1 1039680863 OTMOAPJZKPVZPN-INIZCTEOSA-N 314.345 -0.417 30 20 DBED O=C(C#CC1CC1)NC[C@]1(O)CCN(C(=O)c2n[nH]cc2F)C1 1039681316 YSQPCKIWVJVHOE-OAHLLOKOSA-N 320.324 -0.345 30 20 DBED C=CCCOCC(=O)N1CC[C@@](O)(CNC(=O)c2nc[nH]n2)C1 1040550635 MOTFNBMISMRYIG-CQSZACIVSA-N 323.353 -0.909 30 20 DBED C[C@@H]1CCO[C@@H]1C(=O)NC[C@@]1(O)CCN(C(=O)C#CC2CC2)C1 1040941127 DAXFXPUOWSRVSC-PVUWLOKVSA-N 320.389 -0.096 30 20 DBED CC(C)C#CC(=O)N1CC[C@](O)(CNC(=O)c2ccnnc2)C1 1041019546 UNCMPCIEFXZVIL-INIZCTEOSA-N 316.361 -0.171 30 20 DBED N#Cc1cc(C(=O)N2CC(O)(CNC(=O)[C@H]3CCCO3)C2)c[nH]1 1041349898 KUIVTYJBLQPSFS-GFCCVEGCSA-N 318.333 -0.632 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)[C@H]2C[C@H]3CC[C@H]2O3)C1 1042039837 JGWNFYDBFLSOMA-FRRDWIJNSA-N 324.377 -0.554 30 20 DBED C#CCN1CC[C@@H]2CCN(C(=O)CN3CCOCC3=O)C[C@H]21 1042096117 BALGVTAACBLBKB-ZIAGYGMSSA-N 305.378 -0.599 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(O)(CNC(=O)c2ccn(C)c2)C1 1042541285 LZHPWQMARVAODP-OAHLLOKOSA-N 321.377 -0.345 30 20 DBED Cc1[nH]nc(C(=O)NCC2(O)CN(C(=O)C#CC3CC3)C2)c1O 1042572297 IYBAIVKGINLRLS-UHFFFAOYSA-N 318.333 -0.860 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(O)CN(C(=O)c2ccco2)C1 1042808755 CRBYEUCKRXXXKG-AWEZNQCLSA-N 308.334 -0.090 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)C[C@@H]2CCOC2)C1 1042937108 YIJAFPIQLGFVEZ-ZDUSSCGKSA-N 308.378 -0.238 30 20 DBED C=C(C)[C@@H](CC(=O)NCC1(O)CN(C(=O)COC)C1)OCC 1043339421 TZSQDRRDSXPWLR-GFCCVEGCSA-N 314.382 -0.306 30 20 DBED Cn1cnc(C(=O)N[C@@H]2CN(c3ccncc3C#N)C[C@@H]2O)c1 1043907183 BYCUVCZFYDLJOW-RISCZKNCSA-N 312.333 -0.334 30 20 DBED C#Cc1ccc(C(=O)N(C)C2CN(CCS(C)(=O)=O)C2)cn1 1044205900 NWLGSHLDVYBOHO-UHFFFAOYSA-N 321.402 -0.136 30 20 DBED C#CCN1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CN(C)C(=O)N2)C1 1046965326 JZTIJONRAMERLH-MNOVXSKESA-N 314.336 -0.283 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)Cc2c(C)nc(O)nc2O)C1 1047575795 JDGAQOAKYDZLBV-RYUDHWBXSA-N 322.365 -0.572 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)[C@@H]1CCc2nnn(C)c2C1 1051088110 TYCGIYYHZFBNRQ-CHWSQXEVSA-N 317.393 -0.630 30 20 DBED CC#CCN1CCN([C@@H]2CCN(C(=O)[C@H]3COCCO3)C2)CC1 1051989009 BJVJONDQPNJKGA-HZPDHXFCSA-N 321.421 -0.356 30 20 DBED N#CCN1CCN([C@@H]2CCN(C(=O)[C@H]3CCNC(=O)C3)C2)CC1 1052011118 NBTVAZMUTZJUBB-UONOGXRCSA-N 319.409 -0.745 30 20 DBED C#CCCN1CC2(CC[C@@H](CNC(=O)[C@@H]3CCNC(=O)C3)O2)C1 1053590825 QLXXUURRJMFRON-KGLIPLIRSA-N 319.405 -0.115 30 20 DBED C=C(Cl)CN1CC2(C[C@H](NC(=O)Cn3nccn3)CO2)C1 1053820255 WQTMLLAVSQNAQI-NSHDSACASA-N 311.773 -0.010 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)c3cnc4n3CCC4)CO2)C1 1053833141 UMASXBBFFDDFBC-LLVKDONJSA-N 301.350 -0.074 30 20 DBED C=CCCCC(=O)NC1CCN(CCNC(=O)CC(N)=O)CC1 1055546815 JPMVIWQFDXLQCD-UHFFFAOYSA-N 324.425 -0.085 30 20 DBED C=CCOCC(=O)N1CCC[C@@](CO)(NC(=O)c2nc[nH]n2)C1 1056045962 WHXGZCORGBMZRS-CQSZACIVSA-N 323.353 -0.909 30 20 DBED C#CCC1(C(=O)NCCN(CCO)C(=O)CNC(C)=O)CCC1 1056815833 DRGQTJLNDHWSGW-UHFFFAOYSA-N 323.393 -0.747 30 20 DBED C#CCOCCC(=O)NCCN(CCO)C(=O)[C@H]1CCCO1 1056895529 BUWXUUPQAUBQIZ-CYBMUJFWSA-N 312.366 -0.858 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)c1n[nH]c(C)c1C 1057237226 DMUJIQXPRWCPOV-UHFFFAOYSA-N 324.381 -0.220 30 20 DBED Cc1c[nH]nc1C(=O)N(CCO)CCNC(=O)C#CC(C)C 1057528965 JQZCODYYLGXGJN-UHFFFAOYSA-N 306.366 -0.072 30 20 DBED Cc1cc(C#N)nc(NCC2CCN(C(=O)C(N)=O)CC2)n1 1057534200 NAZSJJWSOKLFEA-UHFFFAOYSA-N 302.338 -0.208 30 20 DBED Cc1c(CC(=O)N(CCO)CCNC(=O)[C@H](C)C#N)cnn1C 1057819147 AJJODHUQOOMTKZ-LLVKDONJSA-N 321.381 -0.632 30 20 DBED CN(C)[C@@H](C(=O)N(CCO)CCNC(=O)C#CC1CC1)C1CC1 1057876352 HQURRKSYZJQLEF-MRXNPFEDSA-N 321.421 -0.323 30 20 DBED C=CCCOCC(=O)N(CCO)CCNC(=O)[C@H](C)COC 1057919390 YVPKATZTLICCLU-CYBMUJFWSA-N 316.398 -0.201 30 20 DBED N#Cc1nccnc1N1CC[C@H](NC(=O)[C@H]2CCC(=O)N2)C1 1058313526 RPORMNMKQNXUDM-VHSXEESVSA-N 300.322 -0.678 30 20 DBED CN1CCOC[C@@H]1C(=O)N[C@@H]1CCN(c2ncccc2C#N)C1 1058319004 KUEHTFYBHDLJHT-ZIAGYGMSSA-N 315.377 -0.021 30 20 DBED N#Cc1nccc(N2CC[C@@H](NC(=O)[C@H]3COC(=O)N3)C2)n1 1058350118 DAVLMLMEXPYDPW-RKDXNWHRSA-N 302.294 -0.848 30 20 DBED N#Cc1cncc(N[C@H]2C[C@H](NC(=O)[C@@H]3CCNC3=O)C2)n1 1059364668 CUXNRHZVUXGZPI-FXPVBKGRSA-N 300.322 -0.457 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1C[C@@H](NC(=O)[C@H]2CCCNC2=O)C1 1059740630 RQRGEKYOCWVMBM-XQQFMLRXSA-N 313.361 -0.040 30 20 DBED N#Cc1ccc(N[C@H]2C[C@@H](NC(=O)[C@H]3CCCNC3=O)C2)nn1 1059740866 YSPSPHXHVDWVOO-TUAOUCFPSA-N 314.349 -0.066 30 20 DBED C=CCOCC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1CCCO1 1061258621 IVXJAQAENHQYHK-STQMWFEESA-N 312.366 -0.288 30 20 DBED C=CCCOCC(=O)NC[C@@H]1COCCN1C(=O)c1cc[nH]n1 1061666221 GRPCQEKLFHPJOR-GFCCVEGCSA-N 322.365 -0.040 30 20 DBED CC(C)C#CC(=O)N1CCOC[C@H]1CNC(=O)[C@@H]1CCNC1=O 1061749481 ZVAPBWNDSKRSHK-CHWSQXEVSA-N 321.377 -0.875 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)c1cnsn1 1061845210 FBUQGIZTHNNNBI-RKDXNWHRSA-N 309.351 -0.345 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)c1csc(O)n1 1061850450 GOQKVXDLZZLRSF-RKDXNWHRSA-N 324.362 -0.034 30 20 DBED N#Cc1nc(=NC[C@H]2CCCN2C(=O)[C@H]2CCNC2=O)cc[nH]1 1063538991 JUVWNRVAMMBYAI-MNOVXSKESA-N 314.349 -0.691 30 20 DBED N#Cc1nccnc1NC[C@H]1CCCN1C(=O)[C@H]1CNC(=O)N1 1063552719 XJDFWIPWQMSONL-MWLCHTKSSA-N 315.337 -0.567 30 20 DBED Cc1nc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)c2nnn(C)n2)ccc1C#N 1064324986 RGCGQOPFGBXTCZ-MDZLAQPJSA-N 324.348 -0.208 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CCCO2)CCO1 1064814980 SMUQLLQRSFZNGN-OLZOCXBDSA-N 312.366 -0.288 30 20 DBED Cc1cnn(CC(=O)N2CCO[C@H](CNC(=O)[C@H](C)C#N)C2)c1 1064921876 KKOQZVOUVHCXDR-CHWSQXEVSA-N 319.365 -0.305 30 20 DBED Cc1c[nH]c(C(=O)N2CCO[C@H](CNC(=O)[C@@H](C)C#N)C2)n1 1065202349 SUBVNNPPHAONPM-GXSJLCMTSA-N 305.338 -0.165 30 20 DBED C=CCCCC(=O)NC[C@H]1CN(C(=O)[C@@H]2CNC(=O)N2)CCO1 1065540881 VTIKARPCNFGVQS-RYUDHWBXSA-N 324.381 -0.632 30 20 DBED C[C@H]1CN(c2ncc(C#N)cc2F)CC[C@@H]1NC(=O)C(N)=O 1067431133 SPMSRGLBALAGJL-KWQFWETISA-N 305.313 -0.091 30 20 DBED C[C@@H]1[C@@H](Nc2cnc(C#N)cn2)CCN1C(=O)c1nnn(C)n1 1068927188 CXLQHIMSTDOAHO-SCZZXKLOSA-N 313.325 -0.413 30 20 DBED N#Cc1nccc(N2CC[C@]3(NC(=O)C(N)=O)CCC[C@H]23)n1 1069283001 UUFRIASELZVRCT-LKFCYVNXSA-N 300.322 -0.549 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2[nH]c(C)nc2C)C1 1070024450 QCWFYGIHHMIOPX-OLZOCXBDSA-N 313.365 -0.093 30 20 DBED C[C@]1(C(=O)N[C@@H]2CN(CC#N)C[C@@H]2n2ccnn2)CCCOC1 1070065869 HZUWUCOANIQLJE-IPYPFGDCSA-N 318.381 -0.040 30 20 DBED Cc1ncn(C)c1C(=O)N1C[C@H](n2ccnn2)[C@H](NCC#N)C1 1070212978 BJXYXJVTXWMDTK-NEPJUHHUSA-N 314.353 -0.501 30 20 DBED N#CCN1C[C@H]2C[C@@H]3CN(C(=O)C45CCN(CC4)C5)C[C@@]3(C1)O2 1070880931 RWFLUOHNIQIYIR-CKEIUWERSA-N 316.405 -0.093 30 20 DBED C#CCCN1C[C@H](NC(=O)Cn2c(O)nnc2O)CC[C@H]1C 1072026299 GPDBZOQPLIWULN-GHMZBOCLSA-N 307.354 -0.318 30 20 DBED C#CCOCCC(=O)N1C[C@H](C)[C@H](NC(=O)c2[nH]nnc2C)C1 1072094063 OWJOZEKUMKNKHW-CMPLNLGQSA-N 319.365 -0.270 30 20 DBED N#Cc1ccc(C(=O)NC[C@@H]2CN(CC(N)=O)CCCO2)[nH]1 1073574497 UECLBKZKJYWQHC-LLVKDONJSA-N 305.338 -0.808 30 20 DBED COCCn1cc(C(=O)NC[C@@H]2CN(CC#N)CCCO2)nn1 1073595200 JCGMHOLBDZEHRR-GFCCVEGCSA-N 322.369 -0.731 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)[C@H]2CCCCN2C(N)=O)C1 1073854214 ZPYYOAIKXUMWBR-ZIAGYGMSSA-N 322.409 -0.240 30 20 DBED N#CCN1CCO[C@@H]2CCN(C(=O)CN3CCOCC3)C[C@@H]21 1074219405 OVYXXZXUHJJQIN-UONOGXRCSA-N 308.382 -0.856 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)c3cnn(C)c3N)C[C@@H]21 1074223170 VCTZDQCKFIFQNN-STQMWFEESA-N 303.366 -0.449 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CCN(C(=O)COC)[C@@H](C)C1 1074941440 KORIDLMPBYMOPB-RYUDHWBXSA-N 309.366 -0.732 30 20 DBED CNC(=O)CN1C[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)[C@@H]2C1 1075699477 ZQLBADYPTJNZFC-GXFFZTMASA-N 301.350 -0.221 30 20 DBED C#CCC1(C(=O)NCC[C@H](C)NC(=O)CNC(N)=O)CCC1 1076833722 PGBZBWNFKWFDAK-NSHDSACASA-N 308.382 -0.141 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)c2ccc3ncn(C)c3n2)C1 1077672101 UCIDFBYFIPZYLG-ZIAGYGMSSA-N 313.361 -0.234 30 20 DBED C#CCOCCC(=O)N[C@@H](C)CCNC(=O)[C@H]1CN(C)C(=O)N1 1077738803 OXOUDHCDFRJJNH-NWDGAFQWSA-N 324.381 -0.939 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCS2(=O)=O)C1 1078203797 FEAUQKLTQBDZLY-JHJVBQTASA-N 316.423 -0.309 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(N(CC)C(=O)CC(N)=O)C1 1079532124 OTWBNDSHZUUCQH-OLZOCXBDSA-N 323.393 -0.098 30 20 DBED C=CCCC(=O)N1CCC(CO)(NC(=O)[C@H]2CCNC2=O)CC1 1080932073 AFAGJDMKNIOOET-LBPRGKRZSA-N 323.393 -0.442 30 20 DBED C=CCn1cccc1C(=O)N1C[C@H](CNC(=O)COC)[C@@H](O)C1 1081167550 WQDSAZRUHIKLLS-JSGCOSHPSA-N 321.377 -0.130 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](O)[C@H](CNC(=O)CC(C)C)C1 1081201915 IQYKKJRSNVXHAC-CHWSQXEVSA-N 323.393 -0.893 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)Cc2cnoc2)C[C@H]1O 1081340644 FZWMCNPYGRKNNY-QWHCGFSZSA-N 323.349 -0.645 30 20 DBED CCN(CC)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C#CC2CC2)C1 1081470546 BNATYQDALYCDDY-LSDHHAIUSA-N 321.421 -0.323 30 20 DBED C#CCOCCC(=O)NC[C@H]1CN(C(=O)C(C)(F)F)C[C@H]1O 1081487034 ZZIXLFVKUMDOPP-WDEREUQCSA-N 318.320 -0.383 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2c[nH]c(=O)cn2)C1 1081698696 VFCPWPKWQOEXEA-ZYHUDNBSSA-N 320.349 -0.715 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN([C@H](C)C(N)=O)C[C@H]2OC)cc1 1082013091 YYUBOKOTIOPBKM-KCPJHIHWSA-N 315.373 -0.029 30 20 DBED C#CCCN1C[C@@H](NC(=O)[C@@H]2CCc3nncn3C2)[C@H](OC)C1 1082382339 ZSHHJEOIYZCDMV-MGPQQGTHSA-N 317.393 -0.321 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@@H]2CCc3nnc(C)n3C2)[C@H](OC)C1 1082382407 BQONHGCHUKDMTN-MGPQQGTHSA-N 317.393 -0.402 30 20 DBED C=C(C)CCN1CC[C@H](NC(=O)CN2CCCNC2=O)[C@@H](O)C1 1090392211 RCDHTNHEZARUGR-KBPBESRZSA-N 324.425 -0.081 30 20 DBED COc1nc(C)cc(N2C[C@@H](O)[C@H](NC(=O)[C@@H](C)C#N)C2)n1 1090403858 CNDJFVJWPARIOB-JMJZKYOTSA-N 305.338 -0.381 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)Cn2ccc(O)nc2=O)[C@@H](O)C1 1090405245 WLQFSODEEUBGJB-RYUDHWBXSA-N 322.365 -0.924 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2ccnc(OC)n2)[C@@H](O)C1 1090424509 ZGOOPUVQCIEBSG-AAEUAGOBSA-N 304.350 -0.327 30 20 DBED COc1cccnc1CC(=O)N[C@@H]1CCN(CC#N)C[C@@H]1O 1090519979 MVBDKHDIYWCUTM-YPMHNXCESA-N 304.350 -0.292 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2ccc(C(N)=O)[nH]2)[C@H](O)C1 1090571226 BAMAGZZNQSWPOJ-GXFFZTMASA-N 304.350 -0.698 30 20 DBED COC[C@H](C)C(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1091089804 RNEPIOSPCJCJFT-WCQGTBRESA-N 305.338 -0.704 30 20 DBED N#Cc1c(F)cccc1N1CC[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 1092135473 YKMDVMMSQGJAHX-YPMHNXCESA-N 320.324 -0.371 30 20 DBED N#Cc1cnc(N2CC[C@@H](NC(=O)C#CC3CC3)[C@H](O)C2)cn1 1092152830 XFYOLZQJZUTFBW-ZIAGYGMSSA-N 311.345 -0.183 30 20 DBED CN(C)C(=O)CC(=O)NC1[C@H]2CN(c3cncc(C#N)n3)C[C@H]12 1093358871 WGTQHZVZBDFRHW-QWRGUYRKSA-N 314.349 -0.623 30 20 DBED Cc1nc(NCCNC(=O)[C@H]2CCS(=O)(=O)N2)ccc1C#N 1093647134 ZSHSHCRZHVQVTK-LLVKDONJSA-N 323.378 -0.519 30 20 DBED N#Cc1nc(=NCCNC(=O)C23CCCN2CCC3)cc[nH]1 1094248019 QLHWJMJLAJPECC-UHFFFAOYSA-N 300.366 -0.073 30 20 DBED CN1CCC[C@@H]1C(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1 1094713685 FICNIRUURYOOOV-WCQYABFASA-N 305.382 -0.995 30 20 DBED CCn1cc(C(=O)N[C@H]2CC(=O)N(C3CN(CC#N)C3)C2)cn1 1094715441 MDENQSUEYDNJDP-LBPRGKRZSA-N 316.365 -0.559 30 20 DBED CNC(=O)NCC(=O)N[C@@H]1CCCN(c2cnc(C#N)cn2)C1 1096239758 MSZOHKAFRWCIEH-SNVBAGLBSA-N 317.353 -0.638 30 20 DBED N#Cc1cnc(N2CC[C@H](NC(=O)CCn3ccnn3)C2)cn1 1096363024 PLDSBASXBXSHLT-NSHDSACASA-N 312.337 -0.275 30 20 DBED CN(C)C(=O)CC(=O)N[C@H]1C[C@@H](Nc2nccnc2C#N)C1 1097257752 VEFVMNKHWKDXDS-AOOOYVTPSA-N 302.338 -0.114 30 20 DBED N#Cc1cccnc1N1CCC[C@@H](CNC(=O)CNC(N)=O)C1 1097286414 LLTMKSFUZODLOJ-NSHDSACASA-N 316.365 -0.046 30 20 DBED CN(C)C(=O)CC(=O)N1CC[C@H](CN=c2cc[nH]c(C#N)n2)C1 1098579282 SMIAMZAUOZTULZ-LLVKDONJSA-N 316.365 -0.491 30 20 DBED Cn1ccnc1CN1CC[C@H](NC(=O)CSCC#N)[C@@H](O)C1 1099690529 PUVCGTDYKAECSL-RYUDHWBXSA-N 323.422 -0.272 30 20 DBED N#CCNC(=O)CN1CC[C@@H](NC(=O)CCC2CCC2)[C@H](O)C1 1099776415 RRPYAKNORNNPRM-ZIAGYGMSSA-N 322.409 -0.242 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2cnnc(C)c2)[C@H](O)C1 1099792668 XTCYDEDNZZIHQO-HUUCEWRRSA-N 318.377 -0.400 30 20 DBED Cc1cc(C#N)nc(N(C)CCNC(=O)CN2CCOCC2)n1 1100065300 BRVSOUJICWOYGA-UHFFFAOYSA-N 318.381 -0.459 30 20 DBED CN(CCNC(=O)CC1CS(=O)(=O)C1)c1nccnc1C#N 1100219936 UNHDJPAOFPBCRI-UHFFFAOYSA-N 323.378 -0.665 30 20 DBED C=C(C)CN(CC)C(=O)CNC1CC(CNC(=O)C(N)=O)C1 1100627417 JITCHEVVGNYOER-UHFFFAOYSA-N 310.398 -0.619 30 20 DBED CN(CCNc1nccnc1C#N)C(=O)[C@@H]1CCCS1(=O)=O 1101642354 ZLNUHXIFSUMSJK-NSHDSACASA-N 323.378 -0.204 30 20 DBED CC[C@H](CNC(=O)CS(C)(=O)=O)N=c1cc[nH]cc1C#N 1102997272 HDJVEALXGIDGQE-LLVKDONJSA-N 310.379 -0.274 30 20 DBED COCC(=O)N[C@@H](C)C(=O)NCC[C@@H]1CN(CC#N)C[C@H]1C 1103020305 OEHRTNOFOAOEBW-FRRDWIJNSA-N 310.398 -0.265 30 20 DBED CC(=O)NCC(=O)NCC[C@H]1CCCN1c1nccnc1C#N 1103716479 SNYRQCRQYCLHKC-GFCCVEGCSA-N 316.365 -0.041 30 20 DBED CC(=O)NCC(=O)N1CCC[C@@H]1CNc1ccc(C#N)nn1 1103787877 LTXUNUJEXTYAEV-GFCCVEGCSA-N 302.338 -0.113 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)[C@H](C)n1cncn1 1103923062 QHXMWAOHKZCAMR-MNOVXSKESA-N 314.353 -0.213 30 20 DBED C[C@@H](CNC(=O)c1c[nH]c(=O)cn1)CNc1ccc(C#N)nn1 1104167010 JAKHADTZFZJJSW-SECBINFHSA-N 313.321 -0.090 30 20 DBED Cc1nsc(N2CCO[C@@H](CNC(=O)C(N)=O)C2)c1C#N 1104344785 JBFUEOXIGAXDOJ-QMMMGPOBSA-N 309.351 -0.870 30 20 DBED CC(=O)N(C)CC(=O)N(C)[C@@H](C)CN=c1cc[nH]c(C#N)n1 1104463939 JSLIKNFGSLZDKO-JTQLQIEISA-N 304.354 -0.493 30 20 DBED CC(C)[C@H](CNC(=O)CC(=O)N(C)C)N=c1cc[nH]c(C#N)n1 1105298312 DBFMTENPZSTHAM-NSHDSACASA-N 318.381 -0.199 30 20 DBED CN(CCN(C)c1nccnc1C#N)C(=O)[C@@H]1CCNC1=O 1105535764 VZLZXDQUHZLELE-SNVBAGLBSA-N 302.338 -0.621 30 20 DBED CN(CCN(C)c1ccnc(C#N)n1)C(=O)c1cn(C)c(O)n1 1105555698 JTOSSSWHWRFAEW-UHFFFAOYSA-N 315.337 -0.004 30 20 DBED Cn1ncc(C(=O)NC[C@H](O)CNc2ncccc2C#N)c1N 1105800596 UYNRJKYNFIQNBC-SNVBAGLBSA-N 315.337 -0.528 30 20 DBED Cc1cnccc1C(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1 1105811812 JANWSEVJBMAFTP-LLVKDONJSA-N 312.333 -0.324 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@@H]1CN(C(=O)c2cn[nH]c2)C[C@H]1C 1105867774 OPHQINHNWUGOAM-YRGRVCCFSA-N 317.393 -0.155 30 20 DBED C=CCO[C@@H](C)C(=O)NC[C@H](O)CNc1nc[nH]c2ncnc1-2 1105892339 VQSMNHNAXUJYBQ-VHSXEESVSA-N 320.353 -0.215 30 20 DBED CCCN(C)CCC(=O)NC[C@@H](O)CNc1cncc(C#N)n1 1105917127 CLDHGKNCJCRPAL-ZDUSSCGKSA-N 320.397 -0.031 30 20 DBED COCCCNC(=O)CNC[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1C 1105946710 ZKGJRBZSFNBYTH-BFHYXJOUSA-N 324.425 -0.017 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)CCc3ccon3)CC2=O)C1 1108555761 YFJALJVPIVLTPE-ZDUSSCGKSA-N 316.361 -0.358 30 20 DBED C#CCCN1CC(N2C[C@H](NC(=O)CCN(C)C)CC2=O)C1 1108569597 LFLUSTKJCIIITP-CYBMUJFWSA-N 306.410 -0.637 30 20 DBED Cc1cc(C#N)nc(NC[C@H](C)NC(=O)C2(C(N)=O)CC2)n1 1108684624 XUJWKGABVXMJQT-VIFPVBQESA-N 302.338 -0.161 30 20 DBED CNC(=O)NCC(=O)N[C@H](CNc1ccc(C#N)nn1)C1CC1 1110004816 ACRISYOQLWFJNW-LLVKDONJSA-N 317.353 -0.416 30 20 DBED N#Cc1cnc(NC2(CNC(=O)[C@@H]3CC[C@@H]3C(N)=O)CC2)cn1 1110300013 MJLXTKJAFKWLMI-WDEREUQCSA-N 314.349 -0.080 30 20 DBED N#Cc1c[nH]ccc1=NC1(CNC(=O)[C@@H]2CNC(=O)N2)CC1 1110324461 PIITUZXQEFYTFV-NSHDSACASA-N 300.322 -0.883 30 20 DBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H](C)CC(N)=O 1110894192 YMZCAFVBFCHFIS-LPWJVIDDSA-N 322.409 -0.478 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H]1CCC(=O)N1 1111299754 KASVMVAYPLRKHN-RQJABVFESA-N 305.378 -0.364 30 20 DBED CC[C@H](C(=O)N(CCO)CCNc1nccnc1C#N)N(C)C 1111492933 XBDPDAUKLAVDFS-CYBMUJFWSA-N 320.397 -0.079 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)CCOCC#C)CC1 1112845247 ZWOHBPYVMYRNJC-CQSZACIVSA-N 305.378 -0.692 30 20 DBED C[C@H](N=c1cc[nH]c(C#N)n1)[C@H](C)NC(=O)c1ncn(C)n1 1113002461 XALALJGANDZDSR-IUCAKERBSA-N 300.326 -0.482 30 20 DBED CC#CCN1CCN(C(=O)CN(C)CC(=O)NC(C)C)CC1 1113067784 QJHHUKBOYNKRKB-UHFFFAOYSA-N 308.426 -0.390 30 20 DBED COCC#CCN1CCN(C(=O)COc2cnn(C)c2)CC1 1113260510 GBHQELSNGVKCJY-UHFFFAOYSA-N 306.366 -0.407 30 20 DBED CC[C@@H]1C[C@H](C(=O)N2CCN(CC(=O)NCC#N)CC2)CCO1 1113500628 CBINNAUYNRTCSN-ZIAGYGMSSA-N 322.409 -0.024 30 20 DBED C[C@H](CC(=O)N1CCN(CC(=O)NCC#N)CC1)n1cccn1 1113505514 DTMBSYLXHIAYNX-CYBMUJFWSA-N 318.381 -0.382 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H](C)N(C)c1nccn2nnnc12 1113725490 VPTOLFBIWYCUON-GHMZBOCLSA-N 317.353 -0.502 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)C[C@H]3COC(=O)C3)[C@H]2C1 1114139568 QEJRISZKZDAPEV-YMEQNVIZSA-N 321.377 -0.712 30 20 DBED C[C@@H](CCCNc1cnc(C#N)cn1)NC(=O)[C@H]1CNC(=O)N1 1115062529 VISABQKGZZGLKT-GXSJLCMTSA-N 317.353 -0.274 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3[nH]cnc3CC)[C@H]2C1 1115183894 BXCBSWJOZDXUCS-QWRGUYRKSA-N 315.377 -0.619 30 20 DBED C#CCN1C[C@H]2C(NC(=O)COc3cccc(C(N)=O)c3)[C@@H]2C1 1115292465 OQRAKHWBTJVGPA-ZIAGYGMSSA-N 313.357 -0.156 30 20 DBED C#CCN1C[C@H]2[C@H](NC(=O)CCNC(=O)[C@H]3CCCO3)[C@H]2C1 1115350334 RKDGXYNYBTYLST-COMQUAJESA-N 305.378 -0.649 30 20 DBED C[C@@H](CN(C)C(=O)CCCC(N)=O)N=c1cc[nH]c(C#N)n1 1115774564 DNHFDHAWEHDUNR-JTQLQIEISA-N 304.354 -0.315 30 20 DBED C=CCSCCNC(=O)C(=O)NC[C@@]1(OC)CCOC1 1117147855 XYCJWEZBLHWBEZ-ZDUSSCGKSA-N 302.396 -0.057 30 20 DBED N#C[C@H]1CC[C@@H](NC(=O)C(=O)NCc2ccc(C(N)=O)nc2)C1 1118119422 NFRCJCXOAYYDJU-GXSJLCMTSA-N 315.333 -0.395 30 20 DBED COCC#CC(=O)NCc1cc(S(N)(=O)=O)ccc1F 1118704984 IASZOESZEWZBEY-UHFFFAOYSA-N 300.311 -0.261 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N1CCO[C@@H](COCC)C1 1119155560 HXZPGTDZJBSLSW-NWDGAFQWSA-N 300.355 -0.433 30 20 DBED N#CCNC1(CNC(=O)C[C@H]2CC(=O)NC2=O)CCCCC1 1120272914 VWFLQSNSCZSDKL-NSHDSACASA-N 306.366 -0.029 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)CNC(=O)C2CC2)nc1 1121099236 FRBKKDNWIHUSEK-GFCCVEGCSA-N 317.349 -0.632 30 20 DBED N#Cc1nc(=N[C@H](CO)CNC(=O)CC(F)(F)F)cc[nH]1 1121271953 BYWDVKBLBDEOIJ-ZETCQYMHSA-N 303.244 -0.388 30 20 DBED CN1CC[C@@H](C(=O)NC[C@H](CO)Nc2nccnc2C#N)C1 1121592108 YMYIYQQZGXMNCL-GHMZBOCLSA-N 304.354 -0.811 30 20 DBED C=CCCOCC(=O)NC[C@@H](CO)Nc1ccc(C#N)nn1 1121749061 LJIIUUIQHAKOOJ-LBPRGKRZSA-N 305.338 -0.170 30 20 DBED Cc1cc(=N[C@H](CO)CNC(=O)CCCN(C)C)c(C#N)c[nH]1 1122416645 LBZSIUULEJCCKS-AWEZNQCLSA-N 319.409 -0.086 30 20 DBED CCC(=O)N[C@H](C)C(=O)NC[C@@H](CO)Nc1ccc(C#N)nc1 1122751995 DECUNBXTQDVWAS-MFKMUULPSA-N 319.365 -0.243 30 20 DBED CC(=O)NCC(=O)N(C)C[C@@H](O)CN(C)c1ccc(C#N)cn1 1124940697 ZDRSXZCQNXWWLW-ZDUSSCGKSA-N 319.365 -0.655 30 20 DBED CCCNC(=O)NC(=O)CNCCNC(=O)c1cc(C#N)c[nH]1 1125391058 PUTHFGOEZZKZDJ-UHFFFAOYSA-N 320.353 -0.558 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1C[C@@H](C)CC(=O)N1 1127576848 YXTZFCIEVLKKKF-IJLUTSLNSA-N 310.398 -0.702 30 20 DBED N#CCN[C@@H]1CCN(c2cccc(CNC(=O)CC(N)=O)n2)C1 1127827636 UQPHUMFKRLLJOL-GFCCVEGCSA-N 316.365 -0.735 30 20 DBED C=C(C)CN1CCn2ncc(CNC(=O)Cn3cnnn3)c2C1 1128223737 AUCCXMVPXQVEKI-UHFFFAOYSA-N 316.369 -0.422 30 20 DBED C#CCNC(=O)CNCCNC(=O)CCCc1ncc(C)o1 1129098218 BHWZJPUTTZIDMH-UHFFFAOYSA-N 306.366 -0.239 30 20 DBED CC#CCN[C@@H]1CN(C(=O)[C@@H](C)CC(N)=O)C[C@@H]1n1ccnn1 1129957035 SPBNJNCLQSNXMS-XQQFMLRXSA-N 318.381 -0.846 30 20 DBED CC#CCN1C[C@@H](OC)C[C@H]1c1n[nH]c(CNC(=O)COC)n1 1130255844 OAGZKSYEWQUCNM-RYUDHWBXSA-N 321.381 -0.148 30 20 DBED C=CCN1CCOC[C@H]1c1n[nH]c(CNC(=O)[C@H](O)C(C)C)n1 1130842147 FTLFFOIWAVWFGW-WCQYABFASA-N 323.397 -0.003 30 20 DBED C[C@@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C[C@H]1CNCC#N 1133165170 CGIIBAIDDKMKKP-ZYHUDNBSSA-N 306.366 -0.363 30 20 DBED C#CCNC[C@H]1CN(C(=O)c2nccnc2C(N)=O)CC[C@H]1C 1133297297 IVDXCPJHMWDBHL-NEPJUHHUSA-N 315.377 -0.104 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)[C@@H]2CCCCC(=O)N2)C1=O 1133681136 ISWWPVGBBRAGBA-STQMWFEESA-N 322.409 -0.462 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)C1CN(C(C)=O)C1 1134240238 OEHHUEWPBPWATR-RYUDHWBXSA-N 322.409 -0.913 30 20 DBED C=CCn1cc(C(=O)NCCN[C@@H](CCCC)C(N)=O)nn1 1134973549 WUQYRVLTVDNQIV-NSHDSACASA-N 308.386 -0.172 30 20 DBED C#CCCN[C@H](C)C[C@H](C)NC(=O)CCn1ncn(C)c1=O 1135070096 IHEHGRNPBMKLKW-OLZOCXBDSA-N 307.398 -0.132 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)CCn1ccnc1 1135130933 BQIZXKAXMJKIAY-KGLIPLIRSA-N 319.409 -0.105 30 20 DBED CCN(CCC#N)C(=O)CN[C@H](C)C[C@@H](C)NC(=O)C(N)=O 1135339229 BRVWQBGWUJOSEK-GHMZBOCLSA-N 311.386 -0.893 30 20 DBED C=CCN1CCC2(C1)CN(C(=O)CCCS(N)(=O)=O)C2 1148181828 UPRYFRISXPPIFI-UHFFFAOYSA-N 301.412 -0.225 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)Cn2ccccc2=O)C1=O 1150603297 FFTACXPKDPDWGM-CYBMUJFWSA-N 318.377 -0.659 30 20 DBED CCN(CC#CCOC)[C@H](C)CNC(=O)[C@@H]1CC(=O)N(C)C1 1153689032 WNCVOYMPUASKNO-ZIAGYGMSSA-N 309.410 -0.059 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@H]1CC12CCOCC2 1153865577 KBRMJYUZTLCWND-QWHCGFSZSA-N 307.394 -0.353 30 20 DBED C=CCNC(=O)NC(=O)CNCCCNC(=O)C[C@H](C)OC 1155551238 UMZKBPRXNYPTTL-NSHDSACASA-N 314.386 -0.481 30 20 DBED Cn1[nH]c(CNCCCNC(=O)c2cc(C#N)c[nH]2)nc1=O 1156296734 UDTQTNXCXFFKHB-UHFFFAOYSA-N 303.326 -0.782 30 20 DBED CN(CC#N)C[C@H]1CCCCN1C(=O)CCn1ncn(C)c1=O 1158271490 ZFOWWFCRJPAORG-CYBMUJFWSA-N 320.397 -0.192 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)c1cnc(C)n1C 1164570893 GRQBKXSFQLKJPW-NSHDSACASA-N 305.382 -0.424 30 20 DBED C#CCNC(=O)CNCCCNC(=O)CCOCCCOC 1170546924 UGGHUJCLUVQSGA-UHFFFAOYSA-N 313.398 -0.725 30 20 DBED C[C@@H](CC(=O)NCCCNCC(=O)NCC#N)n1cccn1 1170579189 IMIGBXTZVFIMGL-LBPRGKRZSA-N 306.370 -0.430 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)Cc2cc(C)on2)[C@H]1C 1178367040 WMRYWGPUSAUHNQ-JSGCOSHPSA-N 318.377 -0.146 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 1183592180 NJMGBMUFJUUTCR-BFHYXJOUSA-N 308.426 -0.345 30 20 DBED C=CCNC(=O)CNC[C@@H]1CCN(C(=O)c2cnn[nH]2)C[C@@H]1C 1184711808 GWCTYDXDMZCJDH-RYUDHWBXSA-N 320.397 -0.205 30 20 DBED N#CCNC[C@H]1CN(C(=O)[C@@H]2CCNC2=O)CC12CCOCC2 1186445303 NOVKTDHXHBVCMJ-QWHCGFSZSA-N 320.393 -0.509 30 20 DBED C=CCNC(=O)CN1C[C@@H]2CCN(C(=O)[C@H](C)NC(C)=O)[C@@H]2C1 1186749681 KIRDOLKGYBRRPZ-FPMFFAJLSA-N 322.409 -0.654 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2oncc2C)C1 1186754679 MLDYBAZXCLDONX-NWDGAFQWSA-N 304.350 -0.075 30 20 DBED COCC#CCN1C[C@@H]2CCN(C(=O)CN3CCCC3=O)[C@@H]2C1 1186779061 RSSLJEIIUOWAPF-LSDHHAIUSA-N 319.405 -0.209 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC[C@H]2CN(Cc3nnnn3C)C[C@H]21 1187754591 AJDDTSCBPVKIGH-ZOWXZIJZSA-N 320.397 -0.430 30 20 DBED C#CCCN1C[C@@H]2CCN(C(=O)COCc3nncn3C)[C@@H]2C1 1189612305 PAXVLXNFHUZKGF-UONOGXRCSA-N 317.393 -0.112 30 20 DBED CN(CC(=O)NCC#N)[C@@H]1CCN(C(=O)c2cn(C)cn2)C1 1189642524 SCJZWUCFYVAZLP-LLVKDONJSA-N 304.354 -0.794 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC[C@H](N(C)CCS(C)(=O)=O)C1 1189919000 XZFLXPOTNIREAJ-JSGCOSHPSA-N 318.439 -0.109 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)CO[C@@H]2CCOC2)C1 1190122020 UXXUWMCJFMMVJK-ZIAGYGMSSA-N 323.393 -0.926 30 20 DBED C=CCCN(C)[C@H]1CCN(C(=O)CN(C)S(C)(=O)=O)C1 1190472327 JNZWWYKLPFLXBN-LBPRGKRZSA-N 303.428 -0.013 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)Cn2cc(C)cn2)C1 1191401332 ITVQAQOZIUHIGI-ZIAGYGMSSA-N 306.366 -0.997 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)[C@@H](C)CC(N)=O)C1 1191735013 JJMFXQUPUATXKG-RYUDHWBXSA-N 310.398 -0.667 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)COCc2cc(C)no2)C1 1194046495 YMFJWJPXDFTYFI-ZIAGYGMSSA-N 307.350 -0.316 30 20 DBED COCC#CCN1CCCN(C(=O)[C@@H](C)S(C)(=O)=O)CC1 1196295737 QHNXIGXGOHZGHV-CYBMUJFWSA-N 316.423 -0.396 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)[C@H](CC)NC(C)=O)C1 1196345451 HOLGCSMSJLKFSL-BFHYXJOUSA-N 313.398 -0.735 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)CCc2cnccn2)C1 1197486168 JWHDVSQDBBZPFR-HUUCEWRRSA-N 318.377 -0.780 30 20 DBED N#CCNC(=O)CN1CCCN(C(=O)Cn2ccnc2)CC1 1198364448 UQKZOPFBJFWKEF-UHFFFAOYSA-N 304.354 -0.943 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)CS(C)(=O)=O)C1 1199145279 GKNBJLHFUPMIQP-QJPTWQEYSA-N 304.412 -0.596 30 20 DBED C=CCOCCNC[C@@H]1CN(C(=O)Cn2cnnn2)CCCO1 1199786892 IINBTYBEFKBOKY-CYBMUJFWSA-N 324.385 -0.917 30 20 DBED N#CCNC[C@@H]1CN(C(=O)c2ccc(C(N)=O)cn2)CCCO1 1202200384 LYLUPWPYLLGMAG-GFCCVEGCSA-N 317.349 -0.475 30 20 DBED Cc1cnc(C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@H]2C)cn1 1205801713 ZGPMTLKKASMKJZ-ZWNOBZJWSA-N 316.365 -0.525 30 20 DBED C=CCNC(=O)NC(=O)CN[C@H]1CCCN(C(=O)[C@H](C)C#N)C1 1207688865 SZHYCSCKGKQQEU-NEPJUHHUSA-N 321.381 -0.262 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)Cc2cscn2)[C@H](C)C1 1209217078 AGJRNELGCFERFA-DGCLKSJQSA-N 320.418 -0.129 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)c2[nH]nnc2C)C[C@H]1C 1215288403 TXQNWYUENBJDOW-MWLCHTKSSA-N 306.370 -0.535 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@H](CC)NC(C)=O)C[C@H]1C 1215617070 ORARYJPFPAFPRK-KWCYVHTRSA-N 322.409 -0.913 30 20 DBED CC[C@@H](C)C(=O)N[C@@H]1CN(CC(=O)N(CC)CCC#N)C[C@@H]1O 1219208329 NVXQIXYYPFPXOG-MCIONIFRSA-N 324.425 -0.044 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)[C@H](C)OCC(C)C)C1 1219288894 DOGNOAKFTSACMB-ZNMIVQPWSA-N 312.410 -0.141 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CN(Cc2nn(C)cc2Cl)C[C@@H]1O 1219381452 SDESSSANYCPKFG-AXTRIDKLSA-N 311.773 -0.106 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2nnc(C)s2)C[C@@H]1O 1219605278 NVKWYVPJWJUSED-JLLWLGSASA-N 324.406 -0.454 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)CNC(=O)c2ccoc2C)C1 1219677106 PICNWLFDHBSNMF-KGLIPLIRSA-N 319.361 -0.498 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)c2cc(COC)on2)C1 1220501026 RBDLCJLCMIECPS-KGLIPLIRSA-N 323.349 -0.754 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)c2nc(C)c[nH]2)C1 1220514774 FDDHROUFQQZZRH-TUAOUCFPSA-N 321.381 -0.816 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)C2(NC(C)=O)CCCC2)C1 1220536535 HMJGHOWAMFVEIA-KGLIPLIRSA-N 307.394 -0.380 30 20 DBED C#CCOCCC(=O)N1C[C@H]2CCN(CC(=O)NCC=C)C[C@H]21 1221545087 WCBYGCMRJWEHJE-HUUCEWRRSA-N 319.405 -0.139 30 20 DBED N#CCN1CC[C@@H]2CN(C(=O)CCC(=O)N3CCOCC3)[C@@H]2C1 1222000501 KUFTVPOCBIGQOD-ZIAGYGMSSA-N 320.393 -0.318 30 20 DBED N#CCN1CCC(CNC(=O)CC[C@@H]2NC(=O)NC2=O)CC1 1225372370 MOTOMWUYEFPFSG-NSHDSACASA-N 307.354 -0.674 30 20 DBED COCC#CCN1CCC(NC(=O)Cn2cnnc2O)CC1 1226933586 DQFXQVYFXKRQHC-UHFFFAOYSA-N 307.354 -0.786 30 20 DBED C=C[C@](C)(O)CC(=O)NC1CCN([C@H]2CCC(=O)NC2=O)CC1 1227124700 XIQCCSSYZMJVKE-LRDDRELGSA-N 323.393 -0.301 30 20 DBED CN1CC[C@H](C(=O)NC2CCN(CC(=O)NCC#N)CC2)C1 1230262605 JMXFTGLZWWQGNF-LBPRGKRZSA-N 307.398 -0.842 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)[C@@H]2CCN(C)C2)CC1 1230262790 SGWIOBWWYUKSSI-CYBMUJFWSA-N 306.410 -0.732 30 20 DBED CN(C[C@@H]1CCN1CC(=O)NCC#N)C(=O)c1ccn(C)c1 1233684110 XVWRZUCZYBFEPI-ZDUSSCGKSA-N 303.366 -0.189 30 20 DBED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1ccc(C(=O)NC)cc1 1256559767 GOHGRMOPDHNYKV-CYBMUJFWSA-N 317.345 -0.125 30 20 DBED C#CCSCCNC(=O)C(=O)N1CC[C@@H](C2OCCO2)C1 1262261495 OSFKYCPFOZPQKY-LLVKDONJSA-N 312.391 -0.310 30 20 DBED C=CCNC(=O)[C@H](C)NC[C@H]1CCCN1C(=O)c1[nH]nnc1C 1270105472 OVSNCZLGHILYIV-NWDGAFQWSA-N 320.397 -0.002 30 20 DBED CN1C[C@H](NC(=O)CCN/C(O)=C2\N=CC=CC2=O)CC1=O 1318697388 RFWBRYMICHFLJO-MAEIDHKBSA-N 306.322 -0.750 30 20 DBED C=CCN1CCC(NC(=O)C(=O)NCCCC(=O)NC)CC1 1325708725 ATQUHUBSBHZDMT-UHFFFAOYSA-N 310.398 -0.605 30 20 DBED N#C[C@H]1CC[C@@H](NC(=O)C(=O)N2CC[C@@H]3COC(=O)N[C@H]3C2)C1 1326129449 UGAMMHXWAHYFNW-QCNOEVLYSA-N 320.349 -0.248 30 20 DBED COc1ncccc1NC(=O)C(=O)NCCn1cnc(C#N)n1 1326858369 VPWMBMOAQBLUTM-UHFFFAOYSA-N 315.293 -0.692 30 20 DBED CNS(=O)(=O)c1ccc(CC(=O)NCC#CCN(C)C)cc1 1332261257 HKRUMEMMXSSLHP-UHFFFAOYSA-N 323.418 -0.182 30 20 DBED CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1332355554 HGWUPNSZKOEHOV-DOMZBBRYSA-N 309.366 -0.109 30 20 DBED C=C(C)COCCNC(=O)C(=O)N[C@@H](C)c1nnnn1C1CC1 1332615646 GRXOYPJUVXKPFU-JTQLQIEISA-N 322.369 -0.106 30 20 DBED C=CC1CCN(C(=O)C(=O)N2C[C@@H](O)C[C@H](C(=O)OC)C2)CC1 1345966980 WMLIZHYSHHMMOL-STQMWFEESA-N 324.377 -0.207 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N1CCC(O)(CO)CC1 1347272285 YJMLTEPQPDFAPZ-UHFFFAOYSA-N 306.384 -0.884 30 20 DBED C#CCOCCNC(=O)C(=O)N[C@@H]1CCN(CC(F)F)C1 1348711045 DBKRCXVRPPJPIE-SNVBAGLBSA-N 303.309 -0.792 30 20 DBED CNC(=O)Cn1nc(NC(=O)N2CC[C@](O)(CC#N)C2)cc1C 1365047628 LQFGEGTVQHRSDF-CQSZACIVSA-N 320.353 -0.180 30 20 DBED N#Cc1cccc(CNC(=O)CN2CCOC[C@H]2CC(N)=O)c1 1365308916 AYHDKTAHUZRQIA-CQSZACIVSA-N 316.361 -0.249 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@@H](CNC(=O)C[C@@H]2CCC(=O)N2)C1 1371678901 SZNQLBXVIJFSQN-WYUUTHIRSA-N 306.366 -0.174 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)CCc1nccn1C 1376678320 YVLJVOSDCAVYQI-MNOVXSKESA-N 307.354 -0.894 30 20 DBED Cc1ccnc2nc(C(=O)N[C@@H](C)CNC(=O)[C@@H](C)C#N)nn12 1378036771 BJFXIDOGKJMFCI-IUCAKERBSA-N 315.337 -0.173 30 20 DBED C[C@H](C#N)C(=O)N(C)C[C@H]1CCN(C(=O)CCn2cnnn2)C1 1388897490 XGFSUJBTAIDOJJ-VXGBXAGGSA-N 319.369 -0.470 30 20 DBED CNS(=O)(=O)CC(=O)NC[C@H](C)NCc1cccc(C#N)c1 1390532443 NDDWGLKEWXQWFR-NSHDSACASA-N 324.406 -0.298 30 20 DBED CCCNC(=O)CNC[C@@H](O)CN(C)C(=O)c1cc(C#N)c[nH]1 1394731803 BIZMIMQDRGXEBW-GFCCVEGCSA-N 321.381 -0.565 30 20 DBED C[C@H](C#N)C(=O)NC1CCN(C(=O)CNC(=O)C2CC2)CC1 1396827689 DNTZXLFALWSJHZ-SNVBAGLBSA-N 306.366 -0.221 30 20 DBED CC(=O)N(C)CC(=O)NC[C@H]1CCN1C(=O)c1cc(C#N)c[nH]1 1433678045 CACJZTQPVZDMIA-GFCCVEGCSA-N 317.349 -0.305 30 20 DBED CC(=O)N[C@H](C)C(=O)N(C)CCN(C)C(=O)c1cc(C#N)c[nH]1 1457707538 XYAGJJHKXOFHQE-SNVBAGLBSA-N 319.365 -0.059 30 20 DBED CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)Nc1ccc(C#N)cn1 1467096807 BJTAOMWPTKNVBP-ZJUUUORDSA-N 310.335 -0.113 30 20 DBED CS(=O)(=O)CC(=O)NC1CN(Cc2ccc(C#N)s2)C1 1481548109 UIVYNKAEDZKRLK-UHFFFAOYSA-N 313.404 -0.035 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C(=O)c1cc(C(N)=O)c[nH]1)C1CC1 1497545580 PSWZMSUXOPMRBM-VIFPVBQESA-N 317.349 -0.006 30 20 DBED C[C@@H](C#N)C(=O)NC1(C)CCN(CC(=O)N2CCOCC2)CC1 1499973223 GTQSPLTUAPRIHS-ZDUSSCGKSA-N 322.409 -0.024 30 20 DBED CC[C@H](OC)C(=O)N1CCN(CCNC(=O)[C@H](C)C#N)CC1 1524095350 VLXDJPOUGTYUQM-OLZOCXBDSA-N 310.398 -0.169 30 20 DBED C=CCOCC(=O)N1C[C@@H](NC(=O)CNC(=O)O)CC[C@@H]1C 1573368929 LMAOZAAZCILHOS-QWRGUYRKSA-N 313.354 -0.048 30 20 DBED CC[C@H](CNC(=O)NCCN/C(O)=C1/N=CC=CC1=O)C(=O)O 1573798455 WFDUEPYJBZUUNX-NPAAXYOMSA-N 324.337 -0.077 30 20 DBED N#Cc1cccnc1NCCNS(=O)(=O)C[C@@H]1CCNC1 1574248604 LEYBPKONHNYSEL-LLVKDONJSA-N 309.395 -0.106 30 20 DBED C#CCNC(=O)C1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 1588354182 HHCNEJOBCPORTL-UHFFFAOYSA-N 312.337 -0.378 30 20 DBED C#CC[C@H](NC(=O)CNC(=O)c1ccc2c(c1)OCO2)C(=O)O 1588406195 ZGOZYZHXPHTOSH-JTQLQIEISA-N 318.285 -0.262 30 20 DBED C=CCCN(C)C(=O)CCn1cc(-c2nn[nH]n2)c(O)nc1=O 1588602909 CBHHAWONHLRNAN-UHFFFAOYSA-N 319.325 -0.446 30 20 DBED N#CC1(C(=O)O)CCN(C(=O)c2ccn3nnnc3c2)CC1 1601053352 VPQSBIXZOIWNNX-UHFFFAOYSA-N 300.278 -0.045 30 20 DBED N#Cc1ccc(NCC(=O)N2CCC[C@@H](O)[C@@H]2C(=O)O)nc1 1601108321 MEOGBFAKMZOGKT-ZWNOBZJWSA-N 304.306 -0.198 30 20 DBED O=C(O)[C@H]1C[C@H]1C(=O)NC1(CCO)CN(C(=O)C#CC2CC2)C1 1601777291 HIRZHKNZWZLRMM-NEPJUHHUSA-N 320.345 -0.800 30 20 DBED C#C[C@@H](NS(=O)(=O)c1n[nH]cc1C(=O)O)C1CCOCC1 1602678160 JZPKUVHGOPAAHB-SNVBAGLBSA-N 313.335 -0.185 30 20 DBED C[C@@H](C(=O)N(C)CCC#N)N1CCC(S(N)(=O)=O)CC1 1647121166 PSJPHDSFPDJNGC-JTQLQIEISA-N 302.400 -0.500 30 20 DBED Cc1cnn(C)c1C(=O)N[C@@H]1CCN(CC(=O)NCC#N)C1 1661011191 NGOGNCWQTAOSMS-LLVKDONJSA-N 304.354 -0.828 30 20 DBED N#CCNC(=O)CNC[C@H]1CCCCN1C(=O)CC1(O)CCC1 1661917485 IGLJWJIPDLJNLD-CYBMUJFWSA-N 322.409 -0.098 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)[C@H]2CCCN2C)C(C)(C)C1 1734142268 JUDGDPVZWGGJLP-ZIAGYGMSSA-N 320.437 -0.343 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1C[C@@H](NC(=O)c2n[nH]cc2F)C1 1752765475 LRNRUDRFZYWNCB-LPEHRKFASA-N 307.329 -0.463 30 20 DBED C#CCNC(=O)CN[C@@H](C)CNC(=O)[C@H](C)Cn1ccc(C)n1 1752875871 YJGDIRFYNDZWPS-OCCSQVGLSA-N 319.409 -0.329 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@H]1CCN(C(=O)CN(C)CCC)C1 1752957980 IRQGZIGIHPRWJC-HUUCEWRRSA-N 322.453 -0.096 30 20 DBED COC[C@H](C)CC(=O)NC[C@H]1CCCN1CC(=O)NCC#N 1753115520 XVPKHVUDLLIXMM-CHWSQXEVSA-N 310.398 -0.121 30 20 DBED C=CCNC(=O)CN(CCNC(=O)c1ncn(C)n1)C1CC1 1753153119 NEHGSSCJJDJWET-UHFFFAOYSA-N 306.370 -0.689 30 20 DBED COCC#CCN1CC(CNC(=O)c2cnn(C)c2OC)C1 1753414732 QVEJAIYFTLAYJJ-UHFFFAOYSA-N 306.366 -0.260 30 20 DBED CCCNC(=O)CN1CCO[C@H](CNC(=O)C#CC2CC2)C1 1753648173 ANFVTNIHKFNVCL-CQSZACIVSA-N 307.394 -0.257 30 20 DBED N#CCN1CCC[C@@](CO)(NC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1754855691 VAGYFZPPYIDQQR-TTZDDIAXSA-N 323.393 -0.495 30 20 DBED C#CCN1CCC[C@@](CO)(NC(=O)c2cccn(C)c2=O)C1 1754862989 WXBJZNJAQLNYGC-MRXNPFEDSA-N 303.362 -0.425 30 20 DBED COCC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1nnn(C)n1 1754869169 UGSXHQUYNINGAB-QWHCGFSZSA-N 318.381 -0.461 30 20 DBED C#CCN1CC2(CC[C@H](CNC(=O)CCc3cn(C)nn3)O2)C1 1755056460 CMDCNZMDPXLDSJ-CQSZACIVSA-N 317.393 -0.270 30 20 DBED C#CCNC(=O)CN1CC2(C[C@H](NC(=O)C3CC=CC3)CO2)C1 1755058057 CNYULYYGFRBNTK-AWEZNQCLSA-N 317.389 -0.339 30 20 DBED C#CCN1CC(CCO)(NC(=O)c2nc3ncc(C)cn3n2)C1 1755332690 IVHCRBJBSKEENC-UHFFFAOYSA-N 314.349 -0.767 30 20 DBED C=CCNC(=O)CN1CC([C@H](C)NC(=O)c2n[nH]cc2F)C1 1755386478 QJMKYRMXLJQHGF-VIFPVBQESA-N 309.345 -0.099 30 20 DBED N#CCNC(=O)CN1CCCC2(C1)CN(C(=O)[C@@H]1CCCO1)C2 1755452336 NYOLWDUQQLXQIJ-ZDUSSCGKSA-N 320.393 -0.270 30 20 DBED COCC#CCN[C@@H](C)[C@H]1CN(C(=O)c2cnon2)CCO1 1755459171 HHJKXHPHTBOFAQ-WCQYABFASA-N 308.338 -0.462 30 20 DBED C#CCNC(=O)CNC[C@H](C1CC1)N(C)C(=O)[C@@H]1CCOC1 1755555324 JAJXLGZLSLUYPL-ZIAGYGMSSA-N 307.394 -0.401 30 20 DBED C=CCN[C@@H](CO)CNC(=O)c1cn(C[C@@H]2CCOC2)nn1 1755644006 VLNLYZMQMQNAJY-NWDGAFQWSA-N 309.370 -0.819 30 20 DBED C=CCNC[C@@H]1CC[C@H](NC(=O)CN2CC(=O)N(C)C2=O)C1 1755748675 YDKWGKPYKDVOSE-NEPJUHHUSA-N 308.382 -0.059 30 20 DBED CC(C)C#CC(=O)N(C)C[C@@H](O)CN(C)CCOCCO 1755800781 NEDYOIJRUNZAIZ-AWEZNQCLSA-N 300.399 -0.594 30 20 DBED C#CCNC(=O)CNC[C@H](NC(=O)c1cnccn1)C(C)(C)C 1755816458 KZYMEFGKUTULHS-ZDUSSCGKSA-N 317.393 -0.040 30 20 DBED C#CCCCCC(=O)NC[C@H](CO)NC(=O)[C@H]1CCC(=O)N1C 1756513104 AKWJGCGZSGIAIE-CHWSQXEVSA-N 323.393 -0.606 30 20 DBED C=CCOCCCC(=O)N1CC2(CCN(C(=O)CC(N)=O)C2)C1 1756829969 CIDXVCQNKDCHOM-UHFFFAOYSA-N 323.393 -0.095 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@H](O)[C@H](NC(=O)COCCC=C)C1 1757185567 UQAUHOVFKMMJDJ-MJBXVCDLSA-N 324.377 -0.695 30 20 DBED N#CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(O)no3)C2)C1 1779676653 XGASADOVZCUUFQ-AWEZNQCLSA-N 320.305 -0.263 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](CC)NC(C)=O)CCO2 1783046782 VLFISXRKIAFACR-CZUORRHYSA-N 321.377 -0.636 30 20 DBED N#CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CNC(=O)C1 1801671707 OUYLQLGSSZYWJQ-YFKTTZPYSA-N 304.350 -0.326 30 20 DBED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)O)C2)C1 1840844406 UOWSCQRJJBROMS-XJKSGUPXSA-N 324.377 -0.763 30 20 DBED COC[C@H](C)C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1841664903 IKZXIACSVQWMJH-NSHDSACASA-N 308.334 -0.440 30 20 DBED C[C@@H]1CN(C[C@@H](O)COc2ccc(C#N)cc2)C[C@@H](C(N)=O)O1 268402241 AZVGRDHIJGSAJP-KYOSRNDESA-N 319.361 -0.127 30 20 DBED COC(=O)CN(CCN1CCOCC1)C(=O)c1ccc(C#N)[nH]1 269763486 FNVOJYBSERQODL-UHFFFAOYSA-N 320.349 -0.166 30 20 DBED CS[C@@H]1CN(c2c(C#N)c(=O)n(C)c(=O)n2C)C[C@H]1N(C)C 270302607 AYIBYXHHAGPOFM-GHMZBOCLSA-N 323.422 -0.563 30 20 DBED CN(C)C(=O)NCCNC(=O)CNC(=O)c1ccc(C#N)cc1 272531050 JDIQBGYBVOLGOO-UHFFFAOYSA-N 317.349 -0.325 30 20 DBED CC#CC[C@H](NS(=O)(=O)c1cnn(CCOC)c1)C(=O)O 275032940 QGSIXVCMUZSPBI-NSHDSACASA-N 315.351 -0.326 30 20 DBED C[C@H](CCS(C)(=O)=O)Nc1c(C#N)c(=O)n(C)c(=O)n1C 301685950 VOTPXGXDHXFZLB-MRVPVSSYSA-N 314.367 -0.809 30 20 DBED CN/C(=N\CCOC[C@@H]1CCCO1)NCCN1CCOCC1 304701116 HLYVCJMLSHMMFW-AWEZNQCLSA-N 314.430 -0.321 30 20 DBED C[C@H](CN1CCN(C)CC1)/N=C(/O)N1CCN(C2CC2)C(=O)C1 328831740 RHVWKWBMTRNYIT-CYBMUJFWSA-N 323.441 -0.157 30 20 DBED C[C@H](CN1CCN(C)CC1)NS(=O)(=O)N(C)CCC#N 330639777 DLXZOTIINJHUCJ-GFCCVEGCSA-N 303.432 -0.698 30 20 DBED CCN1CCN([C@H](C)CNS(=O)(=O)N(C)CCC#N)CC1 330846868 YPXKFSQIHAZOTJ-CYBMUJFWSA-N 317.459 -0.308 30 20 DBED C[C@H](O)CN1CCN(C(=O)CNc2ccc(C#N)cn2)[C@H](C)C1 331085876 ZUMRAYMDJMXBFC-OLZOCXBDSA-N 317.393 0.279 30 20 DBED CC(=O)NCC(=O)NCC(=O)N[C@H](C)c1ccc(C#N)cc1 342541068 QDOUMRSYOFBGTB-SNVBAGLBSA-N 302.334 -0.012 30 20 DBED N#Cc1ncn(CCNC(=O)c2ccc(N3CCCC3)nn2)n1 342876887 WLEDOJFHAXMYIU-UHFFFAOYSA-N 312.337 -0.030 30 20 DBED C=CC[C@H](CO)NC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cnn(C)c1 343792279 GVPNFANAVKBQGP-KWCYVHTRSA-N 322.365 -0.628 30 20 DBED CC(C)[C@@H](C(=O)NCC(=O)NCC#N)N1C[C@H](C)O[C@H](C)C1 344176467 HGFGTPVQEUINKY-SCRDCRAPSA-N 310.398 -0.124 30 20 DBED C=CCOC[C@H]1NC(=O)N(Cc2nnnn2CC2CC2)C1=O 348563506 AQHHTNYGIWDANS-SNVBAGLBSA-N 306.326 -0.294 30 20 DBED C=CCN(C(=O)CCOC1CNC1)[C@@H]1CCS(=O)(=O)C1 349029062 PMKIFMUTUZFYSM-LLVKDONJSA-N 302.396 -0.433 30 20 DBED C=C[C@H](CO)NC(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 350173528 CGLAIWCYVWWKJA-LLVKDONJSA-N 323.353 -0.590 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCc2cccnc2)C1=O 354131899 NLSSRCNFDPXPRH-UHFFFAOYSA-N 302.290 -0.325 30 20 DBED N#CCNC(=O)CNC(=O)N1CCC(CN2CCOCC2)CC1 358317315 ULGNVMVNZOYJOZ-UHFFFAOYSA-N 323.397 -0.620 30 20 DBED C=C[C@H](CO)NC(=O)N[C@H]1CC(=O)N(C)[C@@H]1c1cnn(C)c1C 359060391 UDHXACWOGYSUAP-SCDSUCTJSA-N 321.381 -0.154 30 20 DBED C=CCOC[C@@H](NC(=O)CN1CSCC1=O)C(=O)OC 360724382 AYKUXCDFDHEULM-SECBINFHSA-N 302.352 -0.620 30 20 DBED Cn1c(N2CCOCC3(CCC3)C2)c(C#N)c(=O)n(C)c1=O 375200926 JRXWHCTXEUZVPO-UHFFFAOYSA-N 304.350 -0.037 30 20 DBED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2C[C@H](C)NC[C@H]2C)n1 415575374 XFLXQEIOSMMTHH-WDEREUQCSA-N 318.381 0.483 30 20 DBED CC(C)C[C@@H](NS(=O)(=O)N1CCO[C@@H](C#N)C1)C(=O)O 417467383 WJOYENBLPDFGBG-VHSXEESVSA-N 305.356 -0.456 30 20 DBED C#C[C@H](C)N(C)C(=O)NCCC(=O)N1CCN(C(C)=O)CC1 491668132 MCJXDVUCSVQRLX-LBPRGKRZSA-N 308.382 -0.270 30 20 DBED COc1cc(C#N)ccc1NC(=O)C(=O)N1CCN(C)C(=O)C1 546708574 GZQZWTXUYXZLOF-UHFFFAOYSA-N 316.317 -0.194 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N1C[C@H](O)C[C@@H]1COC 593638431 WUYNYLQXJNSURD-QJPTWQEYSA-N 305.400 -0.206 30 20 DBED N#CCNC(=O)CNC(=O)N[C@H]([C@H]1CCCO1)C1(CO)CCC1 596599494 RAPOHWHXQVZIFN-DGCLKSJQSA-N 324.381 -0.364 30 20 DBED CN(CCC#N)S(=O)(=O)N1CCO[C@@H]([C@H]2CCCO2)C1 610701797 WYJPGKMEPYDWKZ-VXGBXAGGSA-N 303.384 -0.044 30 20 DBED CC#CC[C@@H](CO)NC(=O)Cc1ccc(S(N)(=O)=O)s1 649191317 PPHPCMVOIJPCEU-VIFPVBQESA-N 316.404 -0.172 30 20 DBED C=C(C)Cn1c(COC)nnc1N1CCO[C@@H](C(=O)NC)C1 670198004 RIBVEEVNJMSFNH-LLVKDONJSA-N 309.370 -0.048 30 20 DBED C=CCOCC(=O)NS(=O)(=O)N1CCC(C(=O)O)CC1 736109662 VTNWEPQATOVRJQ-UHFFFAOYSA-N 306.340 -0.653 30 20 DBED Cn1ccc(NC(=O)C(=O)NCCNc2ncccc2C#N)n1 737148868 HLHLQFOTSPZOAU-UHFFFAOYSA-N 313.321 -0.146 30 20 DBED C#C[C@@H](NC(=O)c1ccc(=O)n(CCOC)n1)[C@@H]1CCCO1 772886592 GIYHMUCJBWPTQK-YPMHNXCESA-N 305.334 -0.200 30 20 DBED Cn1c(C=NN[C@H]2CCCOC2)nc2c1c(O)nc(=O)n2C 780260910 PNAIEBQPKMNIEH-QMMMGPOBSA-N 306.326 -0.525 30 20 DBED COC[C@H](C#N)OC(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 785091961 BLGDJIWMFJHDCC-SXTJYALSSA-N 304.302 -0.125 30 20 DBED C#CCC[C@@H](O)CNC(=O)NCC1(CS(C)(=O)=O)CC1 798430976 ADGDDDQYFCKVCY-LLVKDONJSA-N 302.396 -0.115 30 20 DBED C#CCC[C@@H](O)CNC(=O)CCCN1C(=O)NC(C)(C)C1=O 799077260 CQHNAXCMFDREMX-LLVKDONJSA-N 309.366 -0.013 30 20 DBED N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@H](CO)C2CC2)cc1 810937841 TTYHPZKTMMITAP-CYBMUJFWSA-N 323.374 -0.276 30 20 DBED C#CC[C@@H](CO)NC(=O)CN(C)S(=O)(=O)c1ccccc1 816671504 ZJMHEGKCFFOSHL-LBPRGKRZSA-N 310.375 -0.193 30 20 DBED O=C(Cc1ccc(-n2cnnn2)cc1)N[C@H]1CCCN(O)C1=O 816753819 PWJYIGDUDRHCEQ-LBPRGKRZSA-N 316.321 -0.299 30 20 DBED O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)N[C@@H]1CCCN(O)C1=O 820476302 KAMMDXRHAUSPTI-GMTAPVOTSA-N 323.349 -0.342 30 20 DBED CS(=O)(=O)Nc1ccccc1C(=O)N[C@H]1CNC[C@@H]1C#N 843459676 GKDUNTUGNDXWCZ-CABZTGNLSA-N 308.363 -0.101 30 20 DBED C#CCSCC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 888264724 ZKXIIPZHXDQMCZ-UHFFFAOYSA-N 309.391 -0.698 30 20 DBED C#CC[C@@H](NC(=O)Cn1c(=O)n(C)c2ccccc21)C(=O)O 910052450 YDFVCZLIONKGQR-SNVBAGLBSA-N 301.302 -0.067 30 20 DBED CN(CCC#N)S(=O)(=O)N(C)CC(=O)NCc1ccco1 912950469 ZNYZNRZKJYCREC-UHFFFAOYSA-N 314.367 -0.082 30 20 DBED C[C@H](NS(=O)(=O)c1cncc(C#N)c1)[C@H]1CN(C)CCN1C 919980932 GYBQMENQDNRUEJ-SMDDNHRTSA-N 323.422 -0.134 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](NC(=O)c2ccc3nnnn3c2)C1 941529316 HKVJNTLRPSLWBR-GXSJLCMTSA-N 313.321 -0.385 30 20 DBED Cc1cc(C(=O)NC[C@@H]2CN(C(=O)[C@@H](C)C#N)CCO2)ncn1 944552878 NSMDLMXZOYYCJZ-CMPLNLGQSA-N 317.349 -0.098 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@H](CNC(=O)[C@@H]2[C@H]3COC[C@H]32)C1 944725622 IPMUNKKCZTZTGQ-KVSVUVNWSA-N 307.350 -0.618 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCN(C(=O)[C@@H]3COC(=O)N3)CC2)C1 944923704 VGPHHGPAUVVCKF-QWRGUYRKSA-N 320.349 -0.295 30 20 DBED C=CCCN1CC[C@@H](NC(=O)CN2CCNC(=O)C2)C[C@@H]1C 947619926 KVJQKJMFHGTDAS-UONOGXRCSA-N 308.426 -0.037 30 20 DBED C#CCN1CCOC2(CCN(C(=O)c3nnn(C)n3)CC2)C1 949436779 AEKVXLADLYTOJD-UHFFFAOYSA-N 304.354 -0.850 30 20 DBED Cn1nnc(C(=O)N2CC[C@@H]2CNC(=O)c2c[nH]c(C#N)c2)n1 949486453 XFFYAMDVDIYVCB-SNVBAGLBSA-N 314.309 -0.946 30 20 DBED C#Cc1cncc(C(=O)N2CCN(CCS(C)(=O)=O)CC2)c1 950407103 ZSLCSRNGMXAUSL-UHFFFAOYSA-N 321.402 -0.135 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]1CNC(=O)c1cc(C(N)=O)co1 952132699 UQKAQIRQLPOMBE-WPRPVWTQSA-N 304.306 -0.131 30 20 DBED CN1CCOC[C@H]1C(=O)N[C@]1(C)CCN(C(=O)C#CC2CC2)C1 956838465 FFJYFAXYOURWPV-WMLDXEAASA-N 319.405 -0.162 30 20 DBED C#CCN1C[C@H](CNC(=O)c2ccc(NC(C)=O)cn2)[C@@H](O)C1 958122720 ZWDRKCGBUBPWQZ-WFASDCNBSA-N 316.361 -0.304 30 20 DBED Cn1ncnc1CN1C[C@@H]2C(NC(=O)c3ccc(C#N)[nH]3)[C@H]2C1 958601643 GCAHQBPWQOAFIC-QWRGUYRKSA-N 311.349 -0.125 30 20 DBED CC#CCN1C[C@H]2[C@H](NC(=O)C3CC4(C3)CS(=O)(=O)C4)[C@H]2C1 960546510 IKEPXMKOGUZPRY-WDNDVIMCSA-N 322.430 -0.119 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CN(C(=O)[C@@H]3COC(=O)N3)C[C@H]2C1 961490105 LBCATCHTARTMGC-MMWGEVLESA-N 306.322 -0.829 30 20 DBED C=C(C)CCN1C[C@H]2[C@H](NC(=O)[C@@H]3CC(=O)NC(=O)N3)[C@H]2C1 961915288 NAOXTTRSUJOZTF-SRRSOLGSSA-N 306.366 -0.403 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)c1ccc(O)nn1 964084549 WASKLHWTLSOKGW-UWVGGRQHSA-N 319.321 -0.701 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@H](NC(=O)C[C@H]2CCNC2=O)C1 965854572 WGRAUXWOFGNPBY-UTUOFQBUSA-N 323.393 -0.587 30 20 DBED C#CCN1CC[C@H](C)[C@@H](NC(=O)c2cn(C)c(=O)nc2O)C1 968639184 FPHCDCIVGZECBP-JQWIXIFHSA-N 304.350 -0.441 30 20 DBED C=C1CC(C)(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@@H]3[C@H]4COC[C@H]43)C2)C1 969829114 KOJIVOBKJFWWLD-BJJPWKGXSA-N 320.389 -0.077 30 20 DBED C=CCCN1CCO[C@@]2(CCN(C(=O)[C@H]3CNC(=O)N3)C2)C1 972526424 JQHHUFIURUQGPK-DOMZBBRYSA-N 308.382 -0.453 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)[C@H](C)N3CCOCC3)C2)C1 972708602 SDZSMOQJCCSZGV-RDJZCZTQSA-N 321.421 -0.356 30 20 DBED CCn1nncc1C(=O)N[C@H]1[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]21 976473986 DEJBUDMOZPQRKR-JYAVWHMHSA-N 313.361 -0.102 30 20 DBED CN(C)CCn1cc(C(=O)NCC2[C@H]3CN(CC#N)C[C@H]23)cn1 978848592 NDUXDECRFGDOTF-HUUCEWRRSA-N 316.409 -0.124 30 20 DBED C[C@H](C#N)C(=O)N1CCC(N(C)[C@H]2CCC(=O)NC2=O)CC1 985338676 LNMIZSDYZIQZKX-PWSUYJOCSA-N 306.366 -0.126 30 20 DBED C#CCN[C@H]1C[C@@H](C)N(C(=O)Cn2ncn3nccc3c2=O)C1 989511482 ORPTWHOLZLLHCZ-NEPJUHHUSA-N 314.349 -0.897 30 20 DBED C=C(C)CN[C@H]1C[C@@H](C)N(C(=O)CN2C(=O)C(=O)N(C)C2=O)C1 989513886 HWKQXWLJWTZTSB-MNOVXSKESA-N 322.365 -0.438 30 20 DBED C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)CN2CC(=O)NC2=O)C1 989565336 FUDNZIBIUFHADJ-VHSXEESVSA-N 314.773 -0.130 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](NC(=O)C(N)=O)CC2(CCOCC2)C1 991122303 IWEBSSOVYCMFQY-QWRGUYRKSA-N 322.365 -0.855 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)C[C@@H]2CCC(=O)N2)C1 995392241 SGSYZMMRRFAFHC-UHTWSYAYSA-N 321.377 -0.427 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)C3(C(N)=O)CC3)C2)cc1 997335101 PDKKZBSJRJMAEJ-UHFFFAOYSA-N 311.341 -0.126 30 20 DBED C=CCn1cccc1C(=O)N1CC(NC(=O)[C@@H]2CCNC2=O)C1 997434675 MJQPULNRORMAEI-GFCCVEGCSA-N 316.361 -0.249 30 20 DBED C=CC(C)(C)C(=O)N1CC(NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 999806772 DEPZQDBPEZSTQO-WDEREUQCSA-N 309.366 -0.442 30 20 DBED CC(=O)N1CC[C@H](C(=O)NCC2CN(C(=O)[C@@H](C)C#N)C2)C1 1003641250 NZEBTUTZKQOMQR-GWCFXTLKSA-N 306.366 -0.411 30 20 DBED C[C@H](C#N)C(=O)N1CC(CNC(=O)c2cccc(=O)n2C)C1 1004205891 XYTBPBANUNDDID-SNVBAGLBSA-N 302.334 -0.267 30 20 DBED C#CCCN1CCC[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)C1 1009459641 LBAXLSNJZWILMX-GFCCVEGCSA-N 306.366 -0.516 30 20 DBED C[C@@H]1C[C@H](C(=O)N2CCN(C(=O)C#CC3CC3)CC2)CC(=O)N1 1011110937 VDJMSORSISIPPG-OCCSQVGLSA-N 317.389 -0.015 30 20 DBED CC#CCN1CC[C@H](NC(=O)Cn2ncn3nccc3c2=O)C1 1015788083 BAYIZLUJPSJONG-LBPRGKRZSA-N 314.349 -0.895 30 20 DBED C[C@@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(CCN1CCNC1=O)C2 1017422979 PDUGOQYBLRNKPB-AVGNSLFASA-N 305.382 -0.154 30 20 DBED C#Cc1ccc(C(=O)N2C[C@H](NC(=O)C(N)=O)CC[C@@H]2C)nc1 1018375733 PUAXNKWJBFCIFG-CMPLNLGQSA-N 314.345 -0.343 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2CCCN(CC(=O)NC)C2)nn1 1023637401 KMKMYZLMHDCIFK-LBPRGKRZSA-N 320.397 -0.348 30 20 DBED Cc1cc(CC(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2O)n(C)n1 1024629761 WZRUEUXVMGCWFY-OASPWFOLSA-N 319.365 -0.881 30 20 DBED C=CCN[C@@H]1CC[C@H]2CN(C(=O)CN3CCOCC3=O)C[C@@H]21 1026284991 HJZMRHLXLSGWPT-MELADBBJSA-N 307.394 -0.142 30 20 DBED C=CCN1CC[C@@H](N2CC(CNC(=O)[C@@H]3COCCO3)C2)C1=O 1031557075 KSZREXOKQJZXJT-KGLIPLIRSA-N 323.393 -0.763 30 20 DBED C#Cc1cncc(C(=O)NCC2CN(CCS(C)(=O)=O)C2)c1 1031965938 YNCMKFTUCCPGFW-UHFFFAOYSA-N 321.402 -0.231 30 20 DBED C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(-n2cnnn2)cn1 1032539639 WHBSRARRPZBLLU-KBPBESRZSA-N 323.360 -0.021 30 20 DBED CN(C(=O)[C@H]1CCc2nnnn2CC1)[C@@H]1CCN(CC#N)C1 1033435464 BNSRBJHJJFOHMQ-NWDGAFQWSA-N 303.370 -0.318 30 20 DBED C#CCCN1CCO[C@H](CNC(=O)c2cc(C(N)=O)cn2C)C1 1035438229 YKKGLYYTCVHOIW-CYBMUJFWSA-N 318.377 -0.422 30 20 DBED C=C(Cl)CN1CCO[C@@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 1035495229 HEZZQFRLXYRVCQ-UWVGGRQHSA-N 302.762 -0.763 30 20 DBED C=C(Cl)CN1CCO[C@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 1035495231 HEZZQFRLXYRVCQ-ZJUUUORDSA-N 302.762 -0.763 30 20 DBED CN(C)CCn1cc(C(=O)NC[C@@H]2CN(CC#N)CCO2)cn1 1035539990 STTFJAOTEZCDJT-CQSZACIVSA-N 320.397 -0.601 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CN(CC(N)=O)CCO1 1035542537 PRQOEAZUAACJAV-OBJOEFQTSA-N 311.382 -0.730 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2CN([C@H](C)C(N)=O)CCO2)cn1 1035581476 JLWAUBXTOHCVDA-BXUZGUMPSA-N 316.361 -0.633 30 20 DBED C=C(C)CN1CCO[C@H](CNC(=O)c2nccnc2C(N)=O)C1 1035596794 GCYRURFEYCUIPK-LLVKDONJSA-N 319.365 -0.418 30 20 DBED COCCn1cc(C(=O)NC[C@H]2CCN2CC#N)ccc1=O 1038458538 JJEIALPJGVSEJY-CYBMUJFWSA-N 304.350 -0.178 30 20 DBED C#CCN1CC[C@@H]1CNC(=O)[C@@H]1CC[C@H](C(=O)N2CCCC2)O1 1038703643 BAAZVNQLVRSOLW-QLFBSQMISA-N 319.405 -0.020 30 20 DBED C#CCCCC(=O)NC[C@]1(O)CCN(C(=O)[C@H]2COCCO2)C1 1039574199 OZWCAMQVYACOTB-CZUORRHYSA-N 324.377 -0.715 30 20 DBED O=C(C#CC1CC1)NC[C@@]1(O)CCN(C(=O)C[C@H]2CCOC2)C1 1039680965 RAUYUXRKENGIQR-PBHICJAKSA-N 320.389 -0.094 30 20 DBED C#CCOCCC(=O)NC[C@@]1(O)CCN(C(=O)c2cc[nH]c2)C1 1039720554 CCUWPVPVDKCHRD-INIZCTEOSA-N 319.361 -0.252 30 20 DBED C=CCCC(=O)N1CC[C@](O)(CNC(=O)C[C@H]2CCNC2=O)C1 1040063424 DDEGLOZRNZOZPG-WBMJQRKESA-N 323.393 -0.442 30 20 DBED C#CCCCC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2CCOC2)C1 1040790419 KLAUTECYAZAHAJ-CZUORRHYSA-N 308.378 -0.094 30 20 DBED Cn1cnc(C(=O)N2CC[C@@H]3CCN(CC#N)[C@@H]3C2)cc1=O 1042099649 GUHROHWRFJTRHL-WCQYABFASA-N 301.350 -0.160 30 20 DBED C#CCCN1CC[C@H]2CCN(C(=O)Cn3c(O)nnc3O)C[C@@H]21 1042333135 ZLGPARZWNJMDJI-RYUDHWBXSA-N 319.365 -0.365 30 20 DBED COCC1(CC(=O)NCC2(O)CN(C(=O)C#CC3CC3)C2)CC1 1042987623 ICQDTKATEBVGLF-UHFFFAOYSA-N 320.389 -0.094 30 20 DBED CCn1ccc(C(=O)NCC2(O)CN(C(=O)[C@@H](C)C#N)C2)n1 1043018350 CVBGNKRKFNDIBK-JTQLQIEISA-N 305.338 -0.634 30 20 DBED N#Cc1nccc(N2C[C@H](O)[C@H](NC(=O)c3nccs3)C2)n1 1044136686 UGHRGBGGHQDNHP-BDAKNGLRSA-N 316.346 -0.216 30 20 DBED C#CCN1CCC2(CC1)CO[C@H](CNC(=O)[C@H]1CCNC1=O)C2 1045677190 OFWKUQSEQYBZER-KBPBESRZSA-N 319.405 -0.257 30 20 DBED N#CCN1CC[C@@H](N2CCN(C(=O)[C@@H]3COCCO3)CC2)C1 1046006126 GPAYVUSCVCEHCW-KGLIPLIRSA-N 308.382 -0.856 30 20 DBED C#CCN1CC[C@@H](N2CCN(C(=O)[C@H](C)n3cncn3)CC2)C1 1046021836 GTQLMROKDBADMP-LSDHHAIUSA-N 316.409 -0.309 30 20 DBED C#Cc1ccc(C(=O)N(C)[C@H]2CN([C@H](C)C(N)=O)C[C@@H]2O)cc1 1047481165 XEVNTAKFWQELGZ-UGFHNGPFSA-N 315.373 -0.341 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C2CN(C(C)=O)C2)C1 1048736860 FLZAQKSGPIRRTR-KBPBESRZSA-N 323.393 -0.539 30 20 DBED CC[C@@H](C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)C#N)C1)N(C)C 1049401926 NBAASLKORIRFES-CYDGBPFRSA-N 310.398 -0.484 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)c1ccc(=O)n(C)n1)C2 1050747391 NTGQJCPLSGTREQ-UHFFFAOYSA-N 300.362 -0.049 30 20 DBED C[C@@H]1[C@@H](NC(=O)c2nnn(C)n2)CCN1c1ccc(C#N)nc1 1050896072 AKPQZCZIRHGWGD-SKDRFNHKSA-N 312.337 -0.126 30 20 DBED C=CCN1CCOC[C@@H]1CNC(=O)c1ccn2nnnc2c1 1051062479 VRQVXGUNZPSTFV-LBPRGKRZSA-N 302.338 -0.259 30 20 DBED CC(=O)NCC(=O)N1C[C@@H](C)[C@@H](CNC(=O)C#CC(C)C)C1 1051823773 DCJQEDQOMXNYJF-OCCSQVGLSA-N 307.394 -0.007 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)C(=O)N1CC[C@@H](C)C1)CCO2 1053503889 DRZAZYPVIYUWCZ-CQSZACIVSA-N 319.405 -0.209 30 20 DBED C#CCN1CC2(C1)CN(C(=O)c1ccc(C(N)=O)nc1)CCO2 1053550122 LSJSPBJLMKQZHA-UHFFFAOYSA-N 314.345 -0.660 30 20 DBED Cn1ccc(=O)c(C(=O)NC[C@H]2CCC3(CN(CC#N)C3)O2)c1 1053629821 CMXISLMONNNFPV-GFCCVEGCSA-N 316.361 -0.128 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)[C@H]3CCNC(=O)CC3)CO2)C1 1053881432 JEHFMCAGADRCTL-CHWSQXEVSA-N 305.378 -0.505 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)CO2)C1 1053924202 NLZPXPVAXBIQQX-RWMBFGLXSA-N 321.377 -0.998 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)C(=O)N3CCC[C@@H]3CC)CO2)C1 1053974818 UENHIRGDBDUQIF-KBPBESRZSA-N 319.405 -0.020 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)C3CCN(C(N)=O)CC3)CO2)C1 1054003235 QBYBGOQZSYPVAN-CYBMUJFWSA-N 320.393 -0.630 30 20 DBED C=CCN1CC2(C[C@H](NC(=O)c3c[nH]c(C(N)=O)c3)CO2)C1 1054009378 VTNVPMSXRGYMHP-NSHDSACASA-N 304.350 -0.127 30 20 DBED C#CCCCC(=O)N1C[C@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@H]2C1 1055312983 WPVDZOJMMCAUMC-RQJABVFESA-N 317.389 -0.172 30 20 DBED CN(c1ccc(C#N)cn1)[C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 1057012724 NNQBXTAITOUHJV-RYUDHWBXSA-N 314.349 -0.328 30 20 DBED C=C[C@@H](CC)CC(=O)N(CCO)CCNC(=O)Cn1cncn1 1058468556 LPQFOAPEDDHOIO-ZDUSSCGKSA-N 323.397 -0.183 30 20 DBED Cc1ccc(C(=O)NCCN(CCO)C(=O)[C@H](C)C#N)nn1 1058653170 OBSXRYMMAFMLGO-SNVBAGLBSA-N 305.338 -0.505 30 20 DBED Cc1cc(OCC(=O)NCCN(CCO)C(=O)[C@H](C)C#N)no1 1058658867 NDCGISXTSJDPKN-SNVBAGLBSA-N 324.337 -0.541 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)CN(C)C1CCC1 1058660915 KOMIQKNJBOBMTQ-LBPRGKRZSA-N 310.398 -0.433 30 20 DBED CCc1cc(C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N)nn1C 1058663567 WVJADYYHQNYDNC-NSHDSACASA-N 321.381 -0.307 30 20 DBED C#CCOCCC(=O)NCCN(CCO)C(=O)c1oncc1C 1058698890 NAGQBASFMGJYNB-UHFFFAOYSA-N 323.349 -0.426 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](CCNC(=O)Cn2cnnc2O)C1 1060288490 AFOAQAXMPVDNDF-MNOVXSKESA-N 320.353 -0.502 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CC[C@H](CNC(=O)c2nnn(C)n2)CC1 1060814133 AVTKTJORPWWVEO-DCAQKATOSA-N 319.369 -0.225 30 20 DBED C#CCOCCC(=O)NC[C@H]1COCCN1C(=O)CSC 1061581675 SDBTWAFXPYAUKR-LBPRGKRZSA-N 314.407 -0.267 30 20 DBED C#CCOCCC(=O)N1CCOC[C@H]1CNC(=O)[C@H](C)C#N 1061852958 OVEPENAFIXDOTM-CHWSQXEVSA-N 307.350 -0.470 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H]1CCCCN1C(=O)CCOC 1061956133 XZXOLQGDJQTGRO-CYBMUJFWSA-N 323.393 -0.340 30 20 DBED Cn1cnc(C(=O)N2C[C@@H]3C[C@H]2CN3c2cnc(C#N)cn2)n1 1062486850 ZIHTUCZORHPDNR-QWRGUYRKSA-N 310.321 -0.420 30 20 DBED CC(C)C#CC(=O)NC1(CNC(=O)[C@H]2COC(=O)N2)CCC1 1062899109 QYPHXZKJJCATPV-LLVKDONJSA-N 307.350 -0.091 30 20 DBED N#Cc1cncc(N2CCO[C@@H](CNC(=O)c3cnco3)C2)n1 1063648094 VZZFXTLGKRIOFG-NSHDSACASA-N 314.305 -0.029 30 20 DBED N#Cc1ccc(NC[C@@H]2CCCN2C(=O)[C@H]2COC(=O)N2)nn1 1064901742 HTWPLWQELJISAF-WDEREUQCSA-N 316.321 -0.140 30 20 DBED N#Cc1nccnc1N1C[C@H]2CN(C(=O)Cn3cncn3)C[C@H]2C1 1066007515 OSRPQIAZEBXGID-TXEJJXNPSA-N 324.348 -0.465 30 20 DBED Cc1ccc(C#N)c(NC[C@@H]2CN(C(=O)CC(N)=O)CCO2)n1 1066607553 RKHTZUGXLUHPEI-GFCCVEGCSA-N 317.349 -0.224 30 20 DBED C#CCNC(=O)CC(=O)N(C)CCCN(C)C(=O)c1ncc[nH]1 1067239628 GALYUSWXZYNXSK-UHFFFAOYSA-N 319.365 -0.530 30 20 DBED Cn1cnc(C(=O)NCC2[C@@H]3CN(c4ccc(C#N)nn4)C[C@@H]23)n1 1068170462 GVWNLLGKGPEVNK-RYUDHWBXSA-N 324.348 -0.411 30 20 DBED C[C@@H](Nc1ncccc1C#N)[C@H]1CN(C(=O)CC(N)=O)CCO1 1068228166 WFRFSTLFGJEMAA-ZYHUDNBSSA-N 317.349 -0.144 30 20 DBED N#Cc1nc(=NC[C@H]2C[C@H](NC(=O)c3nccnc3N)C2)cc[nH]1 1068463524 SHHUZQXKVFCABS-MGCOHNPYSA-N 324.348 -0.237 30 20 DBED CC(=O)NCC(=O)N[C@H]1COC2(C1)CN(C(=O)C#CC(C)C)C2 1068666283 NLBODEONDHLQHW-CYBMUJFWSA-N 321.377 -0.732 30 20 DBED C[C@@H]1C[C@H](N=c2cc[nH]c(C#N)n2)CN1C(=O)Cc1nc[nH]n1 1069143904 PJOSJJABWPRAIY-ZJUUUORDSA-N 312.337 -0.468 30 20 DBED C#CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2cncnc2)C1 1069914057 PWOLOAQOWQSIJQ-KGLIPLIRSA-N 311.349 -0.253 30 20 DBED Cc1nn[nH]c1C(=O)NCC1(NC(=O)[C@@H](C)C#N)CCOCC1 1070233737 CWVJBFPJPNVZKE-VIFPVBQESA-N 320.353 -0.332 30 20 DBED Cc1nn(C)cc1C(=O)N1CCC(=O)NCCN(CC#N)CC1 1070948249 FLGTZCFDYVEQDW-UHFFFAOYSA-N 318.381 -0.484 30 20 DBED C[C@@H]1CO[C@H](C(=O)N2CCC(=O)NCCN(CC#N)CC2)C1 1070980913 AOCFYURFYZFCLB-STQMWFEESA-N 308.382 -0.415 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H]2CN(CC(N)=O)CCCO2)c1 1073566486 QDHBVDCMJHLBGA-NSHDSACASA-N 305.338 -0.808 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCN(C(=O)CNC(N)=O)C[C@H]1C 1073961254 YRHWKWOONCUZLS-VXGBXAGGSA-N 324.381 -0.952 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)c3cc[n+]([O-])cc3)C[C@H]21 1074158184 NNCILBFMNVSXRA-CABCVRRESA-N 301.346 -0.132 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)c3cc[n+]([O-])cc3)C[C@@H]21 1074158187 NNCILBFMNVSXRA-LSDHHAIUSA-N 301.346 -0.132 30 20 DBED C=CCN1CCO[C@@H]2CCN(C(=O)Cn3cnnc3O)C[C@H]21 1074212522 QOZPSFVHKUVQHK-VXGBXAGGSA-N 307.354 -0.529 30 20 DBED C[C@@H](CCNC(=O)CSCC#N)NC(=O)c1nccnc1N 1075675628 HIHKQTRZJJAIKC-VIFPVBQESA-N 322.394 -0.060 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)C[C@H]2NC(=O)c3ccccc32)C1 1077876968 RPKZKYDGTHMJDI-RBSFLKMASA-N 313.357 -0.344 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)C1 1077947511 JCZFKJLJVDZZMU-GHMZBOCLSA-N 324.381 -0.946 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H](C)CCNC(=O)c1c[nH]c(=O)cn1 1078078348 RRRDYUKDFIJSQF-QWRGUYRKSA-N 320.349 -0.567 30 20 DBED C[C@@H](CCNC(=O)[C@@H](C)C#N)NC(=O)Cn1ccc(O)nc1=O 1078133806 VXOQJNPHUBQMHN-UWVGGRQHSA-N 321.337 -0.880 30 20 DBED C=CCCN1C[C@@H](NC(=O)CN2CCN(C)C(=O)C2)[C@H](C)C1 1079990648 JQMIOAFSIAOWIG-ZIAGYGMSSA-N 308.426 -0.227 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CO)(NC(=O)c2cn(C)nn2)CC1 1080842921 JRJVKXJEJNFDIQ-SNVBAGLBSA-N 320.353 -0.942 30 20 DBED C[C@@H](C#N)C(=O)NC1(CO)CCN(C(=O)c2cn[nH]c2)CC1 1080980378 RQGDGNPXHTTZRS-JTQLQIEISA-N 305.338 -0.347 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)C2=COCCO2)C1 1081218831 ZAJIAGHHVRAGMQ-VXGBXAGGSA-N 310.350 -0.224 30 20 DBED N#CCSCC(=O)NC[C@H]1CN(C(=O)C2CCC2)C[C@H]1O 1081286952 RDQXZKVTBZWICJ-NWDGAFQWSA-N 311.407 -0.021 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1081346761 MIMKBNOECIQOFR-ZIAGYGMSSA-N 306.362 -0.462 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(C(=O)c2cc[nH]c2)C[C@H]1O 1081488827 MLJUYJQPDSUUFF-ZIAGYGMSSA-N 319.361 -0.396 30 20 DBED NC(=O)C(=O)N1CCO[C@@H]2CN(CC#Cc3ccccc3)C[C@@H]21 1083179372 UPWPJLZOOLTMOE-LSDHHAIUSA-N 313.357 -0.565 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2cn([C@H]3CCOC3)nc2C)C1 1083461375 ZDTRFOQJVBYJDB-CFVMTHIKSA-N 318.377 -0.439 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCc3nnn(C)c3C2)C1 1083730044 MHHUKYWAPZFHNV-KYOSRNDESA-N 317.393 -0.895 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)C[C@H]2CCCCC(=O)N2)C1 1083996210 NPQNUQNNFKYOEQ-MCIONIFRSA-N 307.394 -0.380 30 20 DBED COCCN1C[C@@H](C(=O)N(C)C[C@H]2CCN2CC#N)CC1=O 1085626089 FYHMOKFWQQTZAO-QWHCGFSZSA-N 308.382 -0.462 30 20 DBED C=CCN1CC[C@H](N[C@H]2CCCCCN(C(=O)C(N)=O)C2)C1=O 1088372040 VVRSSVYYRLTDJK-STQMWFEESA-N 322.409 -0.381 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)Cn1cnnn1)Nc1cncc(C#N)n1 1089216496 XHKZTLWLHGZMNB-VHSXEESVSA-N 315.341 -0.270 30 20 DBED CCN(c1nccnc1C#N)[C@H](C)CNC(=O)[C@@H]1COC(=O)N1 1089636149 PPGUXTLXIGATCG-KOLCDFICSA-N 318.337 -0.212 30 20 DBED N#CCN1C[C@@H]2[C@@H]3CC[C@@H](CN3C(=O)Cn3cncn3)[C@H]2C1 1089903141 PYGTUYLTXGUNCM-CRWXNKLISA-N 300.366 -0.030 30 20 DBED Cn1nc2c(c1C(=O)N[C@@H]1CCN(CC#N)C[C@H]1O)CCCC2 1090296609 BNLNBQHWBOIKPS-ZIAGYGMSSA-N 317.393 -0.013 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2ccnn2CCOC)[C@@H](O)C1 1090349158 IWQYIIAYPHPGFO-OCCSQVGLSA-N 306.366 -0.672 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2ccoc2CC(N)=O)[C@H](O)C1 1090523491 RBBCUBVUXBWQIU-VXGBXAGGSA-N 305.334 -0.894 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2ccc(C(N)=O)cn2)[C@@H](O)C1 1090843034 FWGXBLRYPZJQKW-JSGCOSHPSA-N 316.361 -0.631 30 20 DBED CC(=O)N[C@@H](C)C(=O)N[C@H]1CCN(c2cnc(C#N)cn2)[C@@H]1C 1091923194 VYKLMRUTRNXYSF-CWSCBRNRSA-N 316.365 -0.044 30 20 DBED COCCC(=O)N[C@@H]1CCN(c2nc(C)cc(C#N)n2)C[C@H]1O 1092132553 VETZTGSEPSJBQB-CHWSQXEVSA-N 319.365 -0.251 30 20 DBED COCCCC(=O)N[C@@H]1CCN(c2ccnc(C#N)n2)C[C@H]1O 1092138304 UBOVDELSIOPOED-VXGBXAGGSA-N 319.365 -0.169 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@H]2CN(c3cccc(F)n3)C[C@H]12 1093265445 FLEWVKLCOWEIOK-QWRGUYRKSA-N 316.336 -0.089 30 20 DBED Cc1nn[nH]c1C(=O)N1CCC(OC2CN(CC#N)C2)CC1 1093558996 GZXYHRHYOUWWFM-UHFFFAOYSA-N 304.354 -0.058 30 20 DBED CN1C(=O)CCC[C@@H]1C(=O)NCCNc1cncc(C#N)n1 1093786081 OZKDDMGFNLUYBJ-LLVKDONJSA-N 302.338 -0.113 30 20 DBED Cc1cc(=NCCNC(=O)CCc2cnn(C)n2)c(C#N)c[nH]1 1094121505 JAJQBBPOXDCGRF-UHFFFAOYSA-N 313.365 -0.027 30 20 DBED Cc1cc(C#N)nc(NCCNC(=O)c2cc(=O)n(C)cn2)n1 1094216760 GYFKWCGTJIPUPC-UHFFFAOYSA-N 313.321 -0.408 30 20 DBED CN1CCOC[C@@H]1C(=O)NCCCN=c1cc[nH]c(C#N)n1 1094395531 LQSTVNAABBEKEQ-LLVKDONJSA-N 304.354 -0.981 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)c3cnn(CC)c3)CC2=O)C1 1094716261 YAQZGSLLUQIXFF-CYBMUJFWSA-N 315.377 -0.449 30 20 DBED CCN1CC(N2C[C@H](NC(=O)c3cc(C#N)c[nH]3)CC2=O)C1 1094719844 GNIPVYKPBVEMRO-LLVKDONJSA-N 301.350 -0.079 30 20 DBED Cc1nc(N(C)CCCNC(=O)CNC(N)=O)ccc1C#N 1095468924 KCFYONVLGZVSEV-UHFFFAOYSA-N 304.354 -0.128 30 20 DBED CC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H]1CC(=O)NC(=O)N1 1096080338 DRKKKHMEYJWTGH-RHYQMDGZSA-N 304.350 -0.671 30 20 DBED N#Cc1cnccc1N1CCC[C@H](NC(=O)CNC(N)=O)C1 1096136985 RRSFYYQUZOGELC-NSHDSACASA-N 302.338 -0.293 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCNC(=O)C1)Nc1cncc(C#N)n1 1097773303 ABIOXPRDGKLCNZ-UWVGGRQHSA-N 302.338 -0.209 30 20 DBED C[C@H](CNC(=O)[C@@H]1CCCNC1=O)Nc1nccnc1C#N 1098120630 JLUXGWNIXVBUQR-NXEZZACHSA-N 302.338 -0.209 30 20 DBED CC1(C)NC(=O)N(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC#N)C1=O 1098327973 CKHRWDLPVPMAOR-MXWKQRLJSA-N 319.365 -0.438 30 20 DBED C[C@@H](CCNC(=O)[C@H]1CCC(=O)N1)Nc1ccc(C#N)nn1 1098929420 BTXGZTJZCQVYAJ-GXSJLCMTSA-N 302.338 -0.066 30 20 DBED C[C@@H](CCNC(=O)[C@H]1CNC(=O)N1)N=c1cc[nH]cc1C#N 1099683034 UBRSZTUVPZRNON-JOYOIKCWSA-N 302.338 -0.637 30 20 DBED Cc1cc(C(=O)N[C@H]2CCN(CC(=O)NCC#N)C[C@@H]2O)co1 1099789205 LLJUUQSCSIBJLA-STQMWFEESA-N 320.349 -0.607 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CNC(=O)C2CCC2)[C@@H](O)C1 1100123675 ANNMVUIQVGUBOQ-KGLIPLIRSA-N 307.394 -0.523 30 20 DBED C#CCNC(=O)CC(=O)NCC1CC(NCC(=O)NCCC)C1 1100263010 QZAKWUKMSBXEEY-UHFFFAOYSA-N 322.409 -0.864 30 20 DBED CN(CCNC(=O)CCc1cnn(C)n1)c1cncc(C#N)n1 1100329153 OECCBQFVJBZFGS-UHFFFAOYSA-N 314.353 -0.338 30 20 DBED CC#CCNC1CC(CNC(=O)CCc2nnc(O)nc2O)C1 1100476212 CHPKSNGFLKUYIA-UHFFFAOYSA-N 319.365 -0.277 30 20 DBED CCN(CCNC(=O)[C@@H]1CCNC1=O)c1nccnc1C#N 1100694635 GFLDDJLNUSKHQD-SNVBAGLBSA-N 302.338 -0.573 30 20 DBED Cc1nsc(N2CC[C@@H](CNC(=O)CNC(N)=O)C2)c1C#N 1100927733 OYSSXRFUWRBEIF-VIFPVBQESA-N 322.394 -0.066 30 20 DBED CCCN(CCNC(=O)CNC(C)=O)c1ccc(C#N)nn1 1101078729 WIAAHFIXBGOZPM-UHFFFAOYSA-N 304.354 -0.183 30 20 DBED CN(CCNc1cncc(C#N)n1)C(=O)[C@@H]1CCCS1(=O)=O 1101642226 UULLRCUKDWSWDS-NSHDSACASA-N 323.378 -0.204 30 20 DBED C=CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)Cn2cccn2)C1 1101720034 LHLHOSXDVGJXDG-ZIAGYGMSSA-N 319.409 -0.131 30 20 DBED CO[C@@H](C(=O)N(C)CCN=c1cc[nH]c(C#N)n1)[C@@H]1CCOC1 1101881928 RRICTEDNDDURQK-BXUZGUMPSA-N 319.365 -0.308 30 20 DBED COCC#CCN1C[C@@H](C)[C@H](CNC(=O)[C@H]2CCCNC2=O)C1 1102066062 DHSSGEJOWRICNM-KFWWJZLASA-N 321.421 -0.154 30 20 DBED COCC#CCN1C[C@@H](C)[C@H](CNC(=O)[C@@H]2CCN(C)C2=O)C1 1102251177 XPEYANHXOPDVGG-KFWWJZLASA-N 321.421 -0.201 30 20 DBED CCNC(=O)CC(=O)N(C)[C@H](C)CN=c1cc[nH]c(C#N)n1 1104529540 ILZSREFEBXWGIE-SNVBAGLBSA-N 304.354 -0.445 30 20 DBED C=CCNCc1cn(C2CN(C(=O)c3cnnc(O)c3)C2)nn1 1105264278 CTZNBHSHEPYGTG-UHFFFAOYSA-N 315.337 -0.254 30 20 DBED CCCCO[C@@H](C)C(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1 1105738159 PUJCTCIBTFCMDT-RYUDHWBXSA-N 321.381 -0.136 30 20 DBED N#Cc1nccnc1NC[C@H](O)CNC(=O)Cc1ccon1 1105763503 JNAJOQMNNIJYPY-SNVBAGLBSA-N 302.294 -0.532 30 20 DBED N#Cc1cccnc1NC[C@H](O)CNC(=O)[C@@H]1COCCO1 1105780732 UQZRMIMPEYVBHX-RYUDHWBXSA-N 306.322 -0.742 30 20 DBED Cc1nc(C(=O)NC[C@H](O)CNc2nccnc2C#N)co1 1105799077 TXMYKPIICHZHLH-SECBINFHSA-N 302.294 -0.153 30 20 DBED Cc1c[nH]cc1C(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1 1105851501 KFRQCFSUDXDURW-JTQLQIEISA-N 300.322 -0.391 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)Cn2nccn2)cn1 1105985574 ORSIAZQFIAKLAV-LBPRGKRZSA-N 301.310 -0.866 30 20 DBED C#CCOCCC(=O)N1C[C@@H](C)[C@H](CN[C@H](CC)C(N)=O)C1 1106117449 QBTKFLMVOOJIGX-MGPQQGTHSA-N 309.410 -0.026 30 20 DBED N#Cc1cnc(NC[C@H](O)CNC(=O)C2(F)CCOCC2)cn1 1106150353 RMMUUCVZRSRSTI-NSHDSACASA-N 323.328 -0.244 30 20 DBED C[C@@H]1OCCO[C@@H]1C(=O)NC[C@H](O)CNc1ccc(C#N)nc1 1106160720 FGLCAOJSNAWXME-GDLCADMTSA-N 320.349 -0.354 30 20 DBED C#CCN1CC[C@@]2(CNC(=O)CN3CCOCC3=O)CCC[C@@H]12 1107436779 PJBVNMQEHZHKNE-RHSMWYFYSA-N 319.405 -0.161 30 20 DBED C[C@]1(CNC(=O)c2coc(C(N)=O)c2)CN(CC#N)CCO1 1108095744 DMNAGMCLFIXLSK-AWEZNQCLSA-N 306.322 -0.277 30 20 DBED C[C@@H](CNc1ccc(C#N)nc1)NC(=O)[C@@H]1CCS(=O)(=O)N1 1108391976 VNKZQTVDHQDSHB-CABZTGNLSA-N 323.378 -0.438 30 20 DBED CC[C@H](C(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1)N(C)C 1108553411 MCIUFVWCVCKRHB-DGCLKSJQSA-N 307.398 -0.749 30 20 DBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H]1CCNC1=O 1109596047 DJKFTQLFSFXAJU-NDBYEHHHSA-N 320.393 -0.854 30 20 DBED C=CCOCC(=O)NC[C@@]1(O)CCN(c2ccnc(C#N)n2)C1 1111039653 MBKAHYIRIYLJOB-HNNXBMFYSA-N 317.349 -0.392 30 20 DBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H]1CCN(C)C1 1111406071 RQTWXUUCKXKOJT-TUVASFSCSA-N 320.437 -0.038 30 20 DBED C[C@H]1C[C@H](NC(=O)CNC(N)=O)CCN1c1cnc(C#N)cn1 1112456647 ASGSIWJHBDISIF-VHSXEESVSA-N 317.353 -0.510 30 20 DBED Cc1cc(=N[C@H](C)[C@H](C)NC(=O)c2nnn(C)n2)c(C#N)c[nH]1 1113258911 MJYANNSODRPTLL-ZJUUUORDSA-N 314.353 -0.174 30 20 DBED C=CCN(CC=C)C(=O)CN1C[C@H]2[C@H](NC(=O)COC)[C@H]2C1 1113757918 OMPBXZNFHZPFJJ-VIKVFOODSA-N 307.394 -0.120 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCC(=O)NC1)N(C)c1ccc(C#N)nn1 1113961807 WSFNHNINEVQYPR-QWRGUYRKSA-N 316.365 -0.185 30 20 DBED C#CCOCCC(=O)N[C@H]1[C@@H]2CN(Cc3ncnn3C)C[C@@H]21 1114266833 XRHHSMUZTCHNNY-JYAVWHMHSA-N 303.366 -0.599 30 20 DBED CC#CCN1C[C@H]2C(NC(=O)CCN3C(=O)CCC3=O)[C@@H]2C1 1114540305 MZHUOJLFBPSAEQ-VXGBXAGGSA-N 303.362 -0.405 30 20 DBED C=CC(C)(C)C(=O)N[C@H]1[C@@H]2CN(CCN3C(=O)CNC3=O)C[C@@H]21 1114686972 VKRXYGDYDRGVRZ-PJXYFTJBSA-N 320.393 -0.203 30 20 DBED C=CCOCCN1C[C@H]2C(NC(=O)[C@]3(C)CCC(=O)N3)[C@@H]2C1 1114787239 ODWQPCQMKSKGRE-HSMVNMDESA-N 307.394 -0.096 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)c3cccnn3)[C@H]2C1 1115007982 SGTGHTAAKMSTNF-SRVKXCTJSA-N 313.361 -0.726 30 20 DBED C=CCCN1C[C@@H]2C(NC(=O)CN(C)S(=O)(=O)CC)[C@H]2C1 1115051985 DGHGWJYTFNDZNV-RYUDHWBXSA-N 315.439 -0.110 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)Cn3cncn3)[C@H]2C1 1115213475 WUFUDPRWOIJKHE-CIQGVGRVSA-N 318.381 -0.985 30 20 DBED COC(=O)NCC(=O)N(C)C[C@@H](C)N=c1cc[nH]c(C#N)n1 1115621046 TXNRFTLZDODBNG-SECBINFHSA-N 306.326 -0.615 30 20 DBED Cc1cc(NC(=O)C(=O)N[C@@H]2CC(=O)N(C)C2)n(CCC#N)n1 1116333497 KABIKIDHJYZZLD-SNVBAGLBSA-N 318.337 -0.609 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CC[C@](O)(C3CC3)C2)nn1 1118115815 JOEQUAJNMMIGBP-OAHLLOKOSA-N 319.365 -0.546 30 20 DBED N#CC[C@@H]1CCCN(C(=O)C(=O)N2CCN3CCOC[C@@H]3C2)C1 1118450054 UBNWPMDNEAMZGU-KBPBESRZSA-N 320.393 -0.318 30 20 DBED C#CCNC(=O)CNC1CC2(C1)CC(NC(=O)[C@@H]1CCCO1)C2 1120556641 DWERJCMTAPGYFJ-XJIRZWNVSA-N 319.405 -0.068 30 20 DBED Cn1cnc(C(=O)NC[C@@H](CO)Nc2ccc(C#N)cn2)c1 1121302375 AEDNUVAJUNKDCC-NSHDSACASA-N 300.322 -0.110 30 20 DBED Cc1cn(C)nc1C(=O)NC[C@H](CO)Nc1cnc(C#N)cn1 1121445527 BAYALXCPQOTHIS-LLVKDONJSA-N 315.337 -0.407 30 20 DBED Cc1nc(N[C@H](CO)CNC(=O)c2nc[nH]n2)ccc1C#N 1121893321 MUVBFNKVHSLONB-JTQLQIEISA-N 301.310 -0.417 30 20 DBED C#CCOCCC(=O)NC[C@H](CO)Nc1ccc(C#N)cn1 1122029841 XMJKMEHGBJDPCF-CYBMUJFWSA-N 302.334 -0.118 30 20 DBED CN(C)CCC(=O)N(C)C[C@@H](O)CNc1ccc(C#N)nn1 1124709939 VZJPSQKKJRHYDD-LBPRGKRZSA-N 306.370 -0.469 30 20 DBED COCCN(CCNC(=O)CNC(N)=O)c1ncccc1C#N 1126192151 XCSCBADKBMQTRM-UHFFFAOYSA-N 320.353 -0.809 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)[C@H](C)NC(C)=O)C[C@@]3(C1)O2 1131178317 ULCFRCUVNVRILA-YYWXWVFPSA-N 305.378 -0.554 30 20 DBED C#CCOCCC(=O)N1C[C@@H]2C[C@@H]3CN(CC#C)C[C@]2(C1)O3 1131227399 NUONVUGQYHJXQU-ZMSDIMECSA-N 302.374 -0.039 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCC(=O)NCCN(CCF)CC1 1131357347 RADKMILVESKTSX-OAHLLOKOSA-N 315.389 -0.067 30 20 DBED C#CCCN1CC[C@]2(C1)CN(C(=O)CC(=O)NC)C[C@@H](C)O2 1131653970 WEZDATANRKEYFO-CJNGLKHVSA-N 307.394 -0.162 30 20 DBED C#CCCCC(=O)N1C[C@@H](C)O[C@]2(CCN(CC(N)=O)C2)C1 1131658483 UIKHJXOANKQPHJ-CJNGLKHVSA-N 307.394 -0.033 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2cn[nH]c2)CC[C@@H]1C 1131825529 JWPBCNFYPNHXFM-AAEUAGOBSA-N 303.366 -0.258 30 20 DBED Cc1noc2ncc(C(=O)NCCNCC(=O)NCC#N)cc12 1132149763 JKFZSZMQXFCJGW-UHFFFAOYSA-N 316.321 -0.510 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)Cc1occc1C 1133576834 AJFJYTVZGNDHSA-UHFFFAOYSA-N 322.365 -0.152 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)Cc1nnc(C)o1 1134299342 QZBRMHIWCRPGON-WDEREUQCSA-N 321.381 -0.457 30 20 DBED CCn1nncc1C(=O)N[C@@H](C)C[C@H](C)NCC(=O)NCC#N 1134322082 OPGHKSBNKOUKLE-QWRGUYRKSA-N 321.385 -0.576 30 20 DBED C[C@@H](C[C@H](C)NC(=O)c1cncn1C)NCC(=O)NCC#N 1134884879 NZEIKHAFGNRTCT-QWRGUYRKSA-N 306.370 -0.454 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)C[C@@H](OC)C(F)(F)F 1146924843 KJYOUYOZMWLUDA-VHSXEESVSA-N 323.315 -0.203 30 20 DBED C=CCNC(=O)CN(CC)[C@H](C)CNC(=O)[C@@H]1CCC(=O)N1C 1154683279 VTGMUGWFIKWNJP-OLZOCXBDSA-N 324.425 -0.264 30 20 DBED C[C@@H](NCCCNC(=O)c1cc(C#N)c[nH]1)C(=O)NC(N)=O 1156296795 XFWQRJMHJVQGQL-MRVPVSSYSA-N 306.326 -0.821 30 20 DBED C=CCNC(=O)CNCCCNC(=O)c1cnc2n1CCOC2 1160337259 YCCUSEHURFTDDV-UHFFFAOYSA-N 321.381 -0.575 30 20 DBED Cn1ncc(C(=O)NCCCNCC(=O)NCC#N)c1Cl 1161026211 WEFTZQSBHBVMHQ-UHFFFAOYSA-N 312.761 -0.577 30 20 DBED C=C(Cl)CNCCCNC(=O)Cn1ccc(O)nc1=O 1161957567 DUSVFZVPGQYIOB-UHFFFAOYSA-N 300.746 -0.203 30 20 DBED C#CCNC(=O)CC(=O)NCCC1(CNCC(=O)NCC)CC1 1164182364 HPEDKGKFNVATTA-UHFFFAOYSA-N 322.409 -0.862 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)c1cnc(O)cc1C 1166401965 KHQUSMAGIQIDKK-LBPRGKRZSA-N 318.377 -0.057 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)c1cc(C)nc(C)n1 1168310014 CCFNNHKMRPYYMF-GFCCVEGCSA-N 317.393 -0.059 30 20 DBED Cn1cc(CCC(=O)NCCCNCC(=O)NCC#N)cn1 1176875762 JIKFIKXZSWVHNJ-UHFFFAOYSA-N 306.370 -0.912 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)c1cn(C)c(=O)n1C 1177107722 GHMLOVLJNOICGQ-LLVKDONJSA-N 323.397 -0.876 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)CN(C)C2CCC2)[C@H]1C 1178902302 KEOSYPGTPNITDA-ZFWWWQNUSA-N 320.437 -0.201 30 20 DBED Cc1nc(C)c(C(=O)N2CC[C@H](NCC(=O)NCC#N)[C@@H]2C)[nH]1 1179549929 NBFVSPWMSXQSFM-JQWIXIFHSA-N 318.381 -0.141 30 20 DBED CC#CCNCCCCCCNC(=O)CS(=O)(=O)NC 1180299079 FVAQDQSFICZLAU-UHFFFAOYSA-N 303.428 -0.175 30 20 DBED C=CCOCC(=O)N1CC[C@@H](NCCNS(=O)(=O)CC)C1 1181618384 QEDXASRKLPTXRX-GFCCVEGCSA-N 319.427 -0.681 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)Cc2ccon2)C1 1181770138 VWFUBYATHUKIJQ-DGCLKSJQSA-N 304.350 -0.455 30 20 DBED N#CCNC(=O)CN[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 1181879033 MFERGKHMIRJJFO-LLVKDONJSA-N 300.322 -0.670 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)C[C@@H]2CCCC(=O)N2)C1 1184100719 QXGHLBKYMBQLDC-QWHCGFSZSA-N 322.409 -0.462 30 20 DBED C=CCNC[C@@H]1CCN(C(=O)CNC(=O)CNC(C)=O)C[C@H]1C 1184701136 ILGXFHPZBKSQBZ-OCCSQVGLSA-N 324.425 -0.501 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)C[C@H]2CCC(=O)N2C)C1 1184792224 FETIDECLSYHOTO-CHWSQXEVSA-N 322.409 -0.510 30 20 DBED C#CCNC[C@@H]1CN(C(=O)Cn2ncnn2)CC12CCOCC2 1186373455 KLSYXOCWMAGDLX-CYBMUJFWSA-N 318.381 -0.849 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)C[C@@H]2CCN(C)C2)C1 1187106415 GMCWRNMJJGTMNI-UONOGXRCSA-N 308.426 -0.179 30 20 DBED C=CCN(CC=C)C(=O)CN1C[C@@H](O)[C@H](NC(=O)C2CC2)C1 1190593466 NHPOCZSNUITVOL-ZIAGYGMSSA-N 307.394 -0.242 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2ccccc2C)C1 1190723724 GQLLRZVTTUTWAN-HUUCEWRRSA-N 315.373 -0.481 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(Cc2nc(CC)no2)C[C@H]1O 1192539900 JKUYSERKMXCIPF-UEKVPHQBSA-N 324.381 -0.380 30 20 DBED CC#CCN(C)[C@H]1CCN(C(=O)[C@@H](C)NS(C)(=O)=O)C1 1192550637 JWBRWHIEEJIMIQ-NEPJUHHUSA-N 301.412 -0.520 30 20 DBED C#CCC1(C(=O)N[C@@H]2CN(Cc3nncn3C)C[C@H]2O)CCC1 1193685432 NAJNGWNNVLNUMT-CHWSQXEVSA-N 317.393 -0.330 30 20 DBED C=CCCCC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[nH]2)C[C@H]1O 1195733053 XDCKYWRJMPGSHG-GHMZBOCLSA-N 309.370 -0.874 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2occc2CC)C1 1195881298 DFLPMFJMGABKDE-CHWSQXEVSA-N 321.377 -0.081 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)C2CCC(O)CC2)CC1 1200298780 FCQLOVIPGXPGPP-UHFFFAOYSA-N 321.421 -0.133 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)C[C@@H](C)NC(N)=O)CCCO1 1200509165 FKPSJQYNKVMRJP-CHWSQXEVSA-N 310.398 -0.336 30 20 DBED N#CCNC[C@@H]1CN(C(=O)c2cccnc2C(N)=O)CCCO1 1202122846 BDFJDJMIGOWMIW-LLVKDONJSA-N 317.349 -0.475 30 20 DBED CCCN(C)CCC(=O)N1CCC(NCC(=O)NCC#N)CC1 1203431388 FJLVJXXTYAXEHO-UHFFFAOYSA-N 323.441 -0.061 30 20 DBED C=CCNC(=O)CNCC1CCN(C(=O)c2ncn(C)n2)CC1 1205158349 HKYOIKOBBROMGJ-UHFFFAOYSA-N 320.397 -0.441 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)CNC(=O)CC)[C@H](C)C1 1206641486 ULILBPJYETXRQO-FRRDWIJNSA-N 324.425 -0.360 30 20 DBED N#CCNCC1CCN(C(=O)c2nccnc2C(N)=O)CC1 1206918432 AMVVLFRIKFFPQE-UHFFFAOYSA-N 302.338 -0.459 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@@H](NCCOCC=C)C1 1207872335 OGZBJRBASZPDIV-CQSZACIVSA-N 307.394 -0.091 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)Cn2cncn2)[C@H](C)C1 1210848933 YRYXRZGDRLIVFC-FRRDWIJNSA-N 320.397 -0.595 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2cn(C)nn2)C[C@H]1OC 1213961722 OMHGXSKXHWYELN-IACUBPJLSA-N 323.397 -0.278 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H](OC)C2CC2)C[C@H]1C 1214539892 KXKGCUFBMGCFMG-KYOSRNDESA-N 307.394 -0.403 30 20 DBED Cc1noc(C(=O)N2C[C@@H](NCC(=O)NCC#N)[C@H](C)C2)c1C 1214925880 LQPWRCBPZBKZMA-BXKDBHETSA-N 319.365 -0.019 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)CCn2cnnn2)C[C@H]1C 1216050536 UMFUPTBHPAUFBJ-CHWSQXEVSA-N 306.370 -0.851 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCO[C@@H]2CN(CC#CCOC)C[C@@H]21 1217869468 WRXULNOKVKCHAR-HRCADAONSA-N 320.389 -0.414 30 20 DBED C=CCN(CC=C)C(=O)CN1C[C@H](O)[C@H](NC(=O)C(F)F)C1 1219080079 CHBCUICFTJODFD-MNOVXSKESA-N 317.336 -0.387 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)c2cccnc2)C1 1219100767 VXHBBFMZCPRZTM-BNOWGMLFSA-N 318.377 -0.453 30 20 DBED CC(C)n1nnnc1CN1C[C@H](O)[C@H](NC(=O)[C@@H](C)C#N)C1 1219379416 SUIXSSYZKRDSGY-AXFHLTTASA-N 307.358 -0.925 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCN(C)[C@@H]2C)C1 1219655964 DKSARNSTQXPKMR-TUVASFSCSA-N 309.410 -0.862 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@]2(CC(C)C)CCNC2=O)C1 1219826150 RRYBZRAZXATDTJ-KEYYUXOJSA-N 321.421 -0.277 30 20 DBED C=CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3cn[nH]c3)[C@@H]2C1 1221301704 WIPGOMCQUFCEDR-DGCLKSJQSA-N 303.366 -0.142 30 20 DBED C#CCCN1CC[C@@H]2CN(C(=O)CNS(=O)(=O)CC)[C@@H]2C1 1221589428 NVWDLQKBTJEIEA-CHWSQXEVSA-N 313.423 -0.518 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC(CNC(=O)[C@H](C)OC)CC1 1222512269 QPPUNTYHLOZZCW-STQMWFEESA-N 309.410 -0.013 30 20 DBED N#CCNC(=O)CN1CCC(CNC(=O)C[C@H]2CCOC2)CC1 1222700587 HGWXSLQXXGIIGP-CQSZACIVSA-N 322.409 -0.119 30 20 DBED C#CCN1CCC(CNC(=O)[C@@H](C)N2C(=O)CCC2=O)CC1 1223397555 SSIYLSDXCMPPCQ-GFCCVEGCSA-N 305.378 -0.015 30 20 DBED C=CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)[C@H]1CCNC(=O)C1 1233611261 ODXRJANQIGPPGC-QWHCGFSZSA-N 322.409 -0.653 30 20 DBED N#CCN1CCC(NC(=O)C(=O)N2C[C@H]3CC[C@H]2[C@H](O)C3)CC1 1262123035 ZDYSEHMSCQGTGL-FPMFFAJLSA-N 320.393 -0.538 30 20 DBED CN(C(=O)C(=O)Nc1cccc(OCC#N)c1)[C@@H]1CCNC1=O 1320728123 KOEIFIGOZBSFPH-GFCCVEGCSA-N 316.317 -0.126 30 20 DBED C[C@@H]1C(=O)NCCN1C(=O)C(=O)NCC1CCC(C#N)CC1 1324189483 MBIQULBWYMOIRW-VOMCLLRMSA-N 306.366 -0.221 30 20 DBED N#CCN1CCC(NC(=O)C(=O)N[C@H]2CCC[C@@H]2CCO)CC1 1324437373 ZFHQYZMXQCFRPD-OCCSQVGLSA-N 322.409 -0.242 30 20 DBED CN(C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1326128876 STYVECSZUUOOQL-ZENOOKHLSA-N 322.409 -0.148 30 20 DBED CN1C[C@@H](NC(=O)C(=O)NCc2ccc(C#N)c(F)c2)CC1=O 1326344029 FTIWXHZCKLUTOF-NSHDSACASA-N 318.308 -0.340 30 20 DBED C#CCC[C@H](O)CNC(=O)Cn1nc2n(c1=O)CCCCC2 1327007884 FFQKVGJTBJVRJW-LBPRGKRZSA-N 306.366 -0.338 30 20 DBED C=CCn1cc(CNC(=O)CCN2C(=O)CCNC2=S)nn1 1327113286 KHHUQKSMZNYEDZ-UHFFFAOYSA-N 322.394 -0.423 30 20 DBED CCn1nc(C)c(CNC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)n1 1328331478 CYIDLLOLYXOLCJ-AWEZNQCLSA-N 320.353 -0.900 30 20 DBED CN(C[C@@H](O)C1CC1)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1332255201 QQSPRJZWMCYFAC-HUTFPVNGSA-N 322.365 -0.075 30 20 DBED C#CCSCCNC(=O)C(=O)N1CCO[C@H](COCC)C1 1332644227 BLBMETXNKPBVQX-LBPRGKRZSA-N 314.407 -0.267 30 20 DBED C=CCC1(O)CCN(C(=O)C(=O)N2CC[C@](F)(CO)C2)CC1 1336380643 YYUGZIGSVLBDAH-CQSZACIVSA-N 314.357 -0.151 30 20 DBED C=CCN(C(=O)C(=O)N[C@H](C)C[S@@](C)=O)[C@H](C)COC 1347587152 NJGFNESRFAPQTG-SUTOTMHJSA-N 304.412 -0.081 30 20 DBED COCC[C@](C)(O)CNC(=O)C(=O)Nc1ccc(C#N)cn1 1347660037 ZOWFKHZGSLSGRA-AWEZNQCLSA-N 306.322 -0.205 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)c2cnn(C[C@H](O)CO)c2)C1=O 1347762989 MVNKRRWEKYJWMR-QWHCGFSZSA-N 322.365 -0.905 30 20 DBED C#CCN1CCC(C(=O)N2CC(O)(c3nccn3C)C2)CC1 1352628042 JHZDHEPYSMYCSO-UHFFFAOYSA-N 302.378 -0.205 30 20 DBED CN1CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)C(C)(C)C1 1362478002 FFGIWCWHNLASLM-UHFFFAOYSA-N 319.365 -0.237 30 20 DBED CNC(=O)NCCC(=O)Nc1[nH]nc(N2CCOCC2)c1C#N 1363220666 XYXCKZRQZNTYDA-UHFFFAOYSA-N 321.341 -0.624 30 20 DBED C[C@H](CN(C)CCN1CCNC1=O)NC(=O)c1cc(C#N)c[nH]1 1379652458 OBUNIMNLIZEODM-LLVKDONJSA-N 318.381 -0.038 30 20 DBED CCc1nc(C(=O)N(C)C[C@H](O)CNC(=O)[C@H](C)C#N)co1 1384220618 QMLKXGWWUVLPFM-NXEZZACHSA-N 308.338 -0.054 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@@H](CNC(=O)CCn2cnnn2)C1 1384969263 OOEQIJDXKRYUDO-MXWKQRLJSA-N 305.342 -0.766 30 20 DBED C[C@H](CNC(=O)c1cc(C#N)c[nH]1)CNC(=O)[C@@H]1COC(=O)N1 1391217350 IWHPCXVUQGUUTQ-KCJUWKMLSA-N 319.321 -0.523 30 20 DBED C[C@H](Nc1[nH]c(=O)n(C)c(=O)c1C#N)C(=O)NCC(F)(F)F 1413886682 OWEQSJKZALNWDE-YFKPBYRVSA-N 319.243 -0.576 30 20 DBED C[C@@H](C#N)C(=O)N1CC(CNC(=O)CCS(C)(=O)=O)C1 1416103586 TVGZOFHPSHYJCJ-VIFPVBQESA-N 301.368 -0.845 30 20 DBED COc1c(O)nc(O)nc1C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1418948946 USIXBCVZBFPGKY-SECBINFHSA-N 319.321 -0.291 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCC(CO)(CO)CC1 1424598296 NIRXNCQCAXRIJV-GFCCVEGCSA-N 319.427 -0.220 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)NCc2cnc(Cl)cn2)CCO1 1424709676 ZVIUMBDKCULHDW-SECBINFHSA-N 317.758 -0.311 30 20 DBED Cc1ncc(C(=O)N2CCN(CCNC(=O)[C@@H](C)C#N)CC2)[nH]1 1427700568 CDKSEWPFICHCOK-NSHDSACASA-N 318.381 -0.248 30 20 DBED CC(C)[C@H](CNC(=O)C1(NC(N)=O)CC1)NC(=O)[C@H](C)C#N 1431217744 BEMUHXVNJBWDSV-ZJUUUORDSA-N 309.370 -0.396 30 20 DBED C[C@H](CCNC(=O)CCn1cc(C#N)c(O)nc1=O)N(C)C 1434167346 KAEDFWIPAJDWJB-SNVBAGLBSA-N 307.354 -0.333 30 20 DBED C=C(Cl)CN[C@H](C)CN(C)C(=O)c1cn(CC(N)=O)nn1 1448782543 UUWKZUMUPUQZIQ-SECBINFHSA-N 314.777 -0.434 30 20 DBED CCN(CCNC(=O)[C@H](C)C#N)C(=O)[C@H](C)S(C)(=O)=O 1449509612 MXBXHUAGBJDGEG-ZJUUUORDSA-N 303.384 -0.456 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H]2CCN2C(=O)CCCC(N)=O)c1 1453139613 WVOGCOGTFGXFMH-LLVKDONJSA-N 317.349 -0.127 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CCN(C(=O)c2cc(=O)n(C)cn2)C1 1454862739 OFNSOPUETRXCJQ-GHMZBOCLSA-N 317.349 -0.482 30 20 DBED CCOCc1nnc(N2CCO[C@H](C#N)C2)n1CCC(=O)NC 1460544170 ORYGCVFOZGYYDZ-LLVKDONJSA-N 322.369 -0.321 30 20 DBED N#Cc1ccc(NCC(=O)N2CCOC[C@@H]2CC(N)=O)nc1 1469098235 XQDUWKIHNHKZFH-NSHDSACASA-N 303.322 -0.532 30 20 DBED C[C@H]1C[C@@H](NC(=O)NCCn2cc(C#N)c(O)nc2=O)CCO1 1469415982 BZAWHCKJCBBXHM-ONGXEEELSA-N 321.337 -0.313 30 20 DBED Cc1nc(C(=O)NCC2(C#N)CCOCC2)nn1-c1nc[nH]n1 1472339113 SBILDNZBWFUXKQ-UHFFFAOYSA-N 316.325 -0.256 30 20 DBED C[C@H](C#N)C(=O)NCCN(C(=O)[C@@H]1CCCN1C(N)=O)C1CC1 1497544324 KRAKZWFHINJMQO-PWSUYJOCSA-N 321.381 -0.204 30 20 DBED C[C@H](C#N)C(=O)NC1CN(C(=O)c2noc3c2COCC3)C1 1498384166 SIUAHOKFORUPLT-MRVPVSSYSA-N 304.306 -0.152 30 20 DBED C#CCNC(=O)CN[C@@H](C)CCNC(=O)Cn1nccc1C 1503496160 PMMCOADVLYGUBV-LBPRGKRZSA-N 305.382 -0.575 30 20 DBED C#CCNC[C@H]1CCCCN1C(=O)CN1CCC(=O)NC1=O 1570091990 YABQRLZIGVHNBK-GFCCVEGCSA-N 306.366 -0.468 30 20 DBED C#CCN(C)c1nnc([C@@H]2COCCN2)n1CC(=O)NCCC 1574615276 ZQAVYQVBXLHZAR-LBPRGKRZSA-N 320.397 -0.465 30 20 DBED C=CCC[C@@H](CO)NC(=O)[C@@]12CNC[C@@H]1CS(=O)(=O)C2 1574901580 MQABCEPLCAIGTA-NTZNESFSSA-N 302.396 -0.936 30 20 DBED CC(C)C#CC(=O)N(C)CCNC(=O)[C@@H](C)OCc1cnn[nH]1 1575319142 YZIJZHNVXXWQTH-GFCCVEGCSA-N 321.381 -0.056 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@@H](C(=O)O)C(C)(C)C)CC1 1588429841 FBSFKWXUINHBJJ-ZDUSSCGKSA-N 323.393 -0.373 30 20 DBED COC(=O)[C@H]1CN(S(=O)(=O)CC(C)(C)C#N)C[C@H]1C(=O)O 1598828476 WUJCRLMBLKKOHP-BDAKNGLRSA-N 318.351 -0.328 30 20 DBED N#CC1(C[C@H](O)CN2CCC[C@@H](O)[C@H]2C(=O)O)CCOCC1 1601054182 GXKWRMDBNJSOJU-XQQFMLRXSA-N 312.366 -0.032 30 20 DBED C#CC[C@H](COC)NC(=O)C(=O)N[C@@H]1C[C@@H]2C[C@H](C(=O)O)C[C@@H]21 1602682742 DXFDPFLBNPNONW-IEECTRCBSA-N 322.361 -0.244 30 20 DBED C[C@@H](C#N)N(C(=O)[C@H](C)n1cnc(-c2nn[nH]n2)n1)C1CC1 1602989192 PUSCGWNAQGWIIA-YUMQZZPRSA-N 301.314 -0.078 30 20 DBED Cc1ncsc1Cn1c(=O)c(C#N)cn(CC(=O)O)c1=O 1605428603 FAOXSLOVWRFGCO-UHFFFAOYSA-N 306.303 -0.221 30 20 DBED N#CC1(CNC(=O)Cn2cnc(-c3nn[nH]n3)n2)CCCC1 1606343540 POZDKEQCRXNBRE-UHFFFAOYSA-N 301.314 -0.342 30 20 DBED C#CCN(C)CCCNC(=O)[C@@H](C)n1cnc(-c2nn[nH]n2)n1 1609020915 RYURQNMMLSLZNP-SNVBAGLBSA-N 317.357 -0.910 30 20 DBED C=CC1CCN(C(=O)C(=O)N2C[C@@H](C(=O)O)C[C@@H](O)C2)CC1 1609287111 FOJXYBWLPJGZRD-NWDGAFQWSA-N 310.350 -0.295 30 20 DBED C[C@H](NC(=O)Cn1cnc(C#N)n1)C(=O)NCc1ccco1 1647110855 OTPKPIIRFWUYKC-VIFPVBQESA-N 302.294 -0.436 30 20 DBED Cn1ncc2c(=O)n(CC(=O)N(CCC#N)CCC#N)nnc21 1649717723 KKYDZDCGTHYQKJ-UHFFFAOYSA-N 314.309 -0.819 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)NC[C@@H]1CCCS(=O)(=O)C1 1649798328 BEHQCDGTWNGBJB-QWRGUYRKSA-N 323.440 -0.120 30 20 DBED C=CCN1[C@H]2CC[C@H]1CC(NC(=O)CNC(=O)CNC(C)=O)C2 1752696289 QHSTYYOJRKNZMG-KBPBESRZSA-N 322.409 -0.464 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1C[C@@H](NC(=O)Cc2cc(C)on2)C1 1752719636 HFYRJDOCBXIAEJ-RWMBFGLXSA-N 318.377 -0.100 30 20 DBED Cc1ncc(C(=O)NCC2CN(CC(=O)NCC#N)C2)s1 1753397759 RWJXZTCZATWEPK-UHFFFAOYSA-N 307.379 -0.247 30 20 DBED Cn1cnn(CCC(=O)N2CCC[C@H](CCNCC#N)C2)c1=O 1753550926 BGHHXXRTGXEDHA-CYBMUJFWSA-N 320.397 -0.286 30 20 DBED CC#CCNC[C@@H](O)CNC(=O)[C@H]1CC(=O)N(C(C)(C)C)C1 1753911759 AIPCKDRHSPNHNU-QWHCGFSZSA-N 309.410 -0.277 30 20 DBED O=C(CC#Cc1ccccc1)NC[C@H](O)CN[C@H]1CCNC1=O 1753937535 PEGMTQFUUJQUHA-CABCVRRESA-N 315.373 -0.617 30 20 DBED C#CCNC(=O)[C@H](C)NCCN(CC)C(=O)C[C@@H]1CCC(=O)N1 1754077360 PTYDWQLCESVKSN-STQMWFEESA-N 322.409 -0.769 30 20 DBED C=CCNC(=O)CN(C)C[C@H](C)NC(=O)c1cc(C(N)=O)c[nH]1 1754327415 AGJORYVDRFPREZ-JTQLQIEISA-N 321.381 -0.534 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCN(C)C(=O)c1cnc(O)n1C 1754389242 YFTYUPFPVVHVEZ-LLVKDONJSA-N 321.381 -0.685 30 20 DBED C#CCN(C(=O)[C@H](C)n1cncn1)C1CCN(CCO)CC1 1754636741 YBAVIRIYQFVJKQ-ZDUSSCGKSA-N 305.382 -0.242 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC[C@@](C)(CNCc2nnn(C)n2)C1 1754692140 HVJLAWMILGPAOV-GJZGRUSLSA-N 322.413 -0.135 30 20 DBED C=CCOCCN1C[C@H]2CN(C(=O)[C@@H]3CN(C)CCO3)C[C@H]2C1 1754840580 BLRWGKHOCWRTKR-XHSDSOJGSA-N 323.437 -0.090 30 20 DBED C=CCOCCN1CC2(CC[C@H](CNC(=O)CC(N)=O)O2)C1 1755052755 HWXLSPFAIJMTSM-GFCCVEGCSA-N 311.382 -0.586 30 20 DBED C=CCN1CCC(CO)(NC(=O)[C@@H](C)NS(C)(=O)=O)CC1 1755180599 DFLMWZFKAARKFZ-LLVKDONJSA-N 319.427 -0.947 30 20 DBED C[C@@H](NC(=O)CC1(O)CCC1)C1CN(CC(=O)NCC#N)C1 1755374288 QBYUZYUULBNKOT-LLVKDONJSA-N 308.382 -0.632 30 20 DBED COCC#CCN[C@H](CO)CNC(=O)c1cnn(C2CCC2)c1 1755627775 LOLBWCQLCFTUAZ-AWEZNQCLSA-N 320.393 -0.062 30 20 DBED C#CCCNC[C@H](O)CN(C)C(=O)[C@@H]1CCCc2nn[nH]c21 1755787438 VVTAGQKZYLYNFY-NWDGAFQWSA-N 305.382 -0.343 30 20 DBED C=C(C)CCC(=O)N[C@H](C)[C@@H](C)NC(=O)CN1C(=O)CNC1=O 1755973985 JPXNLPFIZLHIBM-GHMZBOCLSA-N 324.381 -0.096 30 20 DBED C=CCCC(=O)NC[C@H](CO)NC(=O)c1ccc(=O)n(C)c1 1756518578 JRXXLONIYWOGFO-GFCCVEGCSA-N 307.350 -0.442 30 20 DBED CC(C)(C)C#CC(=O)NC[C@H](CO)NC(=O)[C@@]12COC[C@@H]1C2 1756520064 UFELCCYRFYYWFP-OZVIIMIRSA-N 308.378 -0.334 30 20 DBED Cc1ccnc(C(=O)NC[C@H](O)CN(C)C(=O)C#CC2CC2)n1 1756663787 YBLSAVSVKQSKRB-ZDUSSCGKSA-N 316.361 -0.252 30 20 DBED C=C[C@](C)(CC)C(=O)N(C)C[C@@H](O)CNC(=O)Cn1cncn1 1756675764 JFNSOQJLXYGTRN-SWLSCSKDSA-N 323.397 -0.184 30 20 DBED C[C@H](C#N)C(=O)N1CC=C(CCNC(=O)CCNC(N)=O)CC1 1756878615 VIPUBQAJVQELDR-LLVKDONJSA-N 321.381 -0.131 30 20 DBED C[C@@H](OC(=O)C1(C#N)CCC1)C(=O)N[C@@H]1CCS(=O)(=O)C1 1771675676 MMJXCFYEMFNSII-NXEZZACHSA-N 314.363 -0.085 30 20 DBED N#CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccncn1 1796518674 JEJDAZCXPCLBAS-GNXNZQSNSA-N 315.333 -0.407 30 20 DBED NCC(=O)N1CCCC12CN(C(=O)C/N=C/c1ccco1)C2 1842877468 VTSZUCALVYWJGA-CAOOACKPSA-N 304.350 -0.139 30 20 DBED C=C(C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(O)O)C(F)(F)F 1847450110 KOTRJPMBLPFHPS-YUMQZZPRSA-N 308.256 -0.383 30 20 DBED C#CCOCCC(=O)N(C)c1c(N)n(CCCC)c(=O)[nH]c1=O 164849402 SUPRPXIZPNPBOK-UHFFFAOYSA-N 322.365 -0.078 30 20 DBED CC/N=C(/NC[C@@H]1COCCO1)N1CCO[C@@H](COC)C1 261981179 RKYXVDSHZLXGSF-CHWSQXEVSA-N 301.387 -0.286 30 20 DBED COc1ccc(C#N)cc1NC(=O)C(=O)N1C[C@@H](O)[C@H](O)C1 277504045 KLVYBGOQTGXPHI-GHMZBOCLSA-N 305.290 -0.931 30 20 DBED CN(C)C(=O)[C@H]1CCCN1CCC/N=C(/N)N1CCOCC1 303977687 LMGBFOSEIPHILN-CYBMUJFWSA-N 311.430 -0.424 30 20 DBED C[C@H]1CN(/C(O)=N/CCN2CCCS2(=O)=O)CC(=O)N1C 328705244 LADQZBAYWSNPJH-JTQLQIEISA-N 318.399 -0.902 30 20 DBED COC1(C)CN(/C(O)=N/C[C@H]2CCN(S(C)(=O)=O)C2)C1 329731289 GQDGCXFVLCWWFU-SNVBAGLBSA-N 305.400 -0.097 30 20 DBED CN(CCC#N)S(=O)(=O)NCCN1CCOCC1(C)C 330671912 NLPJUNQZBDPWOG-UHFFFAOYSA-N 304.416 -0.223 30 20 DBED COC[C@](C)(C#N)NC(=O)CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O 342900178 ZZLFNXKPBVZSOJ-HFAKWTLXSA-N 305.334 -0.018 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@H](C)C[S@](C)=O 345404809 ACUYKMADZOGBJC-VNIFTMRMSA-N 316.423 -0.033 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)NC[C@H](O)[C@H]2CCOC2)cc1 347103999 OUIHIJNSSHZKBS-KBPBESRZSA-N 317.345 -0.198 30 20 DBED COC(=O)CCN1CC[C@@H](NC(=O)N2CCO[C@@H](C#N)C2)C1=O 347146954 CYSRRRYVPCJHTI-WDEREUQCSA-N 324.337 -0.916 30 20 DBED CCCn1c(N)c(C(=O)CN2CCOC[C@@H]2C#N)c(O)nc1=O 348697262 IEVQZZQVPYZLAR-VIFPVBQESA-N 321.337 -0.652 30 20 DBED N#CCNC(=O)CNC(=O)N1CCC[C@H](CN2CCOCC2)C1 358276966 OTHISZDHTPRIJW-CYBMUJFWSA-N 323.397 -0.620 30 20 DBED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CC[C@H](O)C2)n1 359247613 UTLNFFCPSTVEHE-JTQLQIEISA-N 305.338 0.041 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N(C)[C@@H]1CCS(=O)(=O)C1 407956793 WUOVLHZCJQWQEO-WDEREUQCSA-N 323.440 -0.168 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CC[C@](C)(C(=O)O)C2)nn1 424488539 MQDBGXVMAXFODI-AWEZNQCLSA-N 321.337 -0.597 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCN(S(=O)(=O)NC(C)C)CC1 457860073 NNEMLQJYVDVOTJ-ZDUSSCGKSA-N 319.427 -0.300 30 20 DBED C#CCN1CCC(C(=O)NCCCN2CCC[C@H]2C(N)=O)CC1 490631104 SSPXLKZIBZABQZ-HNNXBMFYSA-N 320.437 -0.212 30 20 DBED C#CCNC(=O)C1CCN(CC(=O)NC[C@H]2CCCO2)CC1 491155571 SRAXHOFBMPKGNI-CQSZACIVSA-N 307.394 -0.257 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCC(=O)N1CCNCC1 518940332 DVEKDSCPNFOTDI-OCCSQVGLSA-N 310.398 -0.301 30 20 DBED CC(C)N(CCC#N)C(=O)CNS(=O)(=O)c1cnn(C)c1 522586457 OMPNCNJLTXJFMK-UHFFFAOYSA-N 313.383 -0.151 30 20 DBED CCN(C[C@@H](C)C#N)C(=O)CN1C(=O)N[C@]2(CCCNC2)C1=O 563079184 DEVOWTOZPAQHKX-NHYWBVRUSA-N 321.381 -0.331 30 20 DBED CNC(=O)N[C@@H]1CCN(C[C@@H]2CNc3c(C#N)cnn3C2)C1 581429778 BBRAJYSHGHQTRW-CMPLNLGQSA-N 303.370 -0.200 30 20 DBED C=C[C@@H]1OCCC[C@H]1NC(=O)CN(C)S(=O)(=O)N(C)C 583029956 JDHHOZOLTVKBNI-MNOVXSKESA-N 305.400 -0.426 30 20 DBED Cc1ccc(NC(=O)C(=O)N2CC[C@](O)(CC#N)C2)c(O)n1 592299708 PGXBWTWCSBGCTR-CQSZACIVSA-N 304.306 -0.089 30 20 DBED CN(C)[C@H]1CN(S(=O)(=O)c2ccc(C#N)cc2F)C[C@@H]1O 601416561 YQJMNWZRPKTCMC-RYUDHWBXSA-N 313.354 -0.007 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@H](CN(C)C)C2)C1=O 603553973 JWCXVUDIPVXCKB-NSHDSACASA-N 322.365 -0.627 30 20 DBED C[C@@H](NC(=O)NC1CCN(CC#N)CC1)[C@H]1CN(C)CCO1 610899420 OVTPUVKZSFHJCU-TZMCWYRMSA-N 309.414 -0.007 30 20 DBED C=CCn1cc(C(=O)N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)nn1 648814805 UHMKVMHGOMFDLV-LLVKDONJSA-N 318.337 -0.427 30 20 DBED CC#CCN(C)C(=O)CS(=O)(=O)CC(=O)N(C)CC#CC 655116417 WGWAUEAKXVPFNL-UHFFFAOYSA-N 312.391 -0.635 30 20 DBED C=C[C@@H](O)C(=O)N1CCN([C@@H](C)C(=O)NCCCOC)CC1 668237403 NFFFOZXBHJOLJE-QWHCGFSZSA-N 313.398 -0.781 30 20 DBED C=CCN(CCOC)C(=O)[C@H]1CCCN1C(=O)CNC(C)=O 682970852 WFCBYVXKAKSVPL-CYBMUJFWSA-N 311.382 -0.226 30 20 DBED CCO[C@@H]1C[C@@H]1C(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1 732909542 CEAREAOREKMCDF-HBNTYKKESA-N 314.363 -0.623 30 20 DBED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)Cn2cnnn2)C1 756921893 YHJRALSRLOVRDZ-ZJUUUORDSA-N 321.341 -0.452 30 20 DBED C[C@H](CC(=O)N1CC(O)C1)/N=C1/NS(=O)(=O)c2ccccc21 765854658 KDLZTDUSXRYPKE-SECBINFHSA-N 323.374 -0.293 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@H](C#C)[C@@H]1CCCO1)[C@@H]1CCCO1 775429468 YDLQLCJUWZVNOI-CRWXNKLISA-N 304.346 -0.420 30 20 DBED C#CCOCCNC(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 784606098 GLHDCWDYLNBXSK-IMIFBBOLSA-N 302.330 -0.441 30 20 DBED C=C(C)COC(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1 786197281 LHJRWKXMSGHBOU-UHFFFAOYSA-N 302.308 -0.224 30 20 DBED C#C[C@H](NC(=O)C(=O)NCc1c(C)nn(C)c1C)[C@@H]1CCCO1 788355283 LHNHUJPPSUBNAJ-KBPBESRZSA-N 318.377 -0.050 30 20 DBED C#CCCCNC(=O)C(=O)N(C)[C@H](C)[C@H](C)S(C)(=O)=O 806909871 NZRUJMWQCAYFBW-MNOVXSKESA-N 302.396 -0.204 30 20 DBED CN(C)c1c(C=NNc2ccccn2)c(=O)n(C)c(=O)n1C 807949139 DPBQSIUSCFSMGY-UHFFFAOYSA-N 302.338 -0.009 30 20 DBED CC(=NNC(=S)NCCN1CCOCC1)c1cnnn1C 814717250 QUJHJHLETZWGSM-UHFFFAOYSA-N 311.415 -0.665 30 20 DBED C[C@](C#N)(CC(=O)O)C(=O)NCCC(=O)N=c1cc[nH]cc1 819835796 YAIKNAXODJHANC-CQSZACIVSA-N 304.306 -0.047 30 20 DBED COc1cccc([S@@](=O)CC(=O)OCC(=O)NCC#N)c1 821353348 SQLCSXZBERXDMU-NRFANRHFSA-N 310.331 -0.014 30 20 DBED C#CCn1cc(CNC(=O)[C@H](NS(C)(=O)=O)C(C)C)cn1 834606370 JQAJOUXMJSLWRG-GFCCVEGCSA-N 312.395 -0.294 30 20 DBED C#CC[C@H](NC(=O)[C@@H]1COCCN1CC(F)F)C(=O)OC 837949771 YBEIIBWBQJGADZ-UWVGGRQHSA-N 304.293 -0.367 30 20 DBED C=CCn1cc(C(=O)NS(=O)(=O)c2c(C)cnn2C)nn1 842807747 ZYZVZSVEPLRQEC-UHFFFAOYSA-N 310.339 -0.375 30 20 DBED C#C[C@H](NC(=O)C(=O)NC[C@H](C(=O)O)C(C)C)[C@H]1CCCO1 848610040 JGRJCKSRWIWCJX-SDDRHHMPSA-N 310.350 -0.244 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N(C)Cc1cnn(C)c1 850711035 NVZUEXFLBFJIDD-UHFFFAOYSA-N 306.366 -0.123 30 20 DBED C#CCNC(=O)C1CCN(c2cc(=O)n(C)c(=O)n2C)CC1 853242549 TZBFSCZWTPOWDZ-UHFFFAOYSA-N 304.350 -0.950 30 20 DBED C[C@H](C(=O)N[C@H]1CCCN(O)C1=O)n1cnc2c(N)ncnc21 854648412 CSQPBDHMXIMRAL-SFYZADRCSA-N 319.325 -0.534 30 20 DBED N#Cc1ccc(N2CCN(C(=O)[C@@H]3COCCN3)CC2)cn1 877297180 PFIRGJYDZPECCG-AWEZNQCLSA-N 301.350 -0.410 30 20 DBED C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H]2CO)cc1 889129875 LJYXNZBWOJCJPB-LBPRGKRZSA-N 308.359 -0.195 30 20 DBED C#CCNC(=O)C1CCN(C(=O)CNC(=O)N2CCCC2)CC1 900442033 SKBLGZWHMXDIBL-UHFFFAOYSA-N 320.393 -0.220 30 20 DBED CCN(C[C@H](C)C#N)C(=O)COC(=O)CN1C(=O)CCC1=O 918842289 LMHMKQXXWBJCOY-SNVBAGLBSA-N 309.322 -0.313 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1 938861251 CRXOXTYTQSUBKD-RNJOBUHISA-N 321.377 -0.427 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)[C@H](C)C1 944809637 FMYCOLLAENXHRR-CHWSQXEVSA-N 320.393 -0.270 30 20 DBED CC#CCN1CC[C@H](NC(=O)CN2CCN(C)C(=O)C2)C[C@@H]1C 947458380 FXODAVYQFFNRGB-GJZGRUSLSA-N 320.437 -0.247 30 20 DBED N#CCN1CCC2(CC1)CN(C(=O)[C@H]1COCCO1)CCO2 949038209 OGGCEKISQBCSKF-CYBMUJFWSA-N 309.366 -0.381 30 20 DBED C#CCCN1CCC2(CC1)CN(C(=O)Cn1nccn1)CCO2 949105480 UDZHRESRHDHXRX-UHFFFAOYSA-N 317.393 -0.005 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]1CNC(=O)c1coc(C(N)=O)c1 951173898 XGYAPHLBDDOBRA-WCBMZHEXSA-N 304.306 -0.131 30 20 DBED C#Cc1ccc(C(=O)N(C)C2CN(C(=O)c3nnn(C)n3)C2)cc1 954943889 XZQMAPLYQRKJPM-UHFFFAOYSA-N 324.344 -0.212 30 20 DBED C#CCCN1C[C@@H](O)[C@H](CNC(=O)c2cn(C)c(C)cc2=O)C1 958152315 ODQBNDXXNFENOX-CZUORRHYSA-N 317.389 -0.260 30 20 DBED Cn1nnc2cccc(C(=O)NC[C@@H]3CN(CC#N)C[C@H]3O)c21 958764081 YTHHXKXTZIYJGA-ZWNOBZJWSA-N 314.349 -0.486 30 20 DBED CC[C@H](C(=O)N1CC2(CN(C(=O)[C@@H](C)C#N)CCO2)C1)N(C)C 965476000 ZTBGSGXUNWVEKR-QWHCGFSZSA-N 322.409 -0.074 30 20 DBED C[C@H](C#N)C(=O)N1CC2(C[C@H](NC(=O)c3cn[nH]c3)CO2)C1 965651383 VZUVLQNWQCPRIX-KOLCDFICSA-N 303.322 -0.331 30 20 DBED C#CCN1CC[C@H](C)[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C1 966528814 UHDCPFFASXUUJD-QWHCGFSZSA-N 318.377 -0.993 30 20 DBED C#CCN1CC[C@@H](C)[C@H](NC(=O)c2cnc(O)n(C)c2=O)C1 967701552 ORYVWKFQVHRZCX-ZYHUDNBSSA-N 304.350 -0.441 30 20 DBED C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2cn(C)c(=O)nc2O)C1 968643745 QIWBSXBCFPRKEF-YPMHNXCESA-N 318.377 -0.051 30 20 DBED C[C@@H](NC(=O)c1c[nH]c(C#N)c1)C1CN(Cc2nc(O)n[nH]2)C1 969527135 USBIZUASAVBMJP-MRVPVSSYSA-N 315.337 -0.040 30 20 DBED Cc1ccnn1CC(=O)N[C@H]1[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]21 976520650 ATPUPETXRICVHJ-PQFRYHKHSA-N 301.350 -0.076 30 20 DBED C#CCN1C[C@H]2C[C@@H](NC(=O)CN3C(=O)CNC3=O)CC[C@H]2C1 980242490 HVLSZONVSYSHCT-XQQFMLRXSA-N 318.377 -0.612 30 20 DBED C#CCN1C[C@H]2C[C@@H](NC(=O)CN3C(=O)CCC3=O)CC[C@H]2C1 980245758 OJKSYUZKMBKEOO-MJBXVCDLSA-N 317.389 -0.015 30 20 DBED C[C@H](C#N)C(=O)N1CCCN(CCCN2C(=O)CNC2=O)CC1 980849052 GWNCGDJINGMEKV-GFCCVEGCSA-N 321.381 -0.378 30 20 DBED C=C(C)CN[C@@H]1C[C@@H](C)N(C(=O)c2cn(CC(N)=O)nn2)C1 989831960 NXVXWKJAYKGCKR-GHMZBOCLSA-N 306.370 -0.468 30 20 DBED C[C@H](C#N)C(=O)N1CCCC[C@H]1CN(C)C(=O)c1nnn(C)n1 990589433 UEIQTILLYACCRE-MNOVXSKESA-N 319.369 -0.177 30 20 DBED CN1CCC[C@H]1C(=O)N1CC(NC(=O)c2c[nH]c(C#N)c2)C1 990920055 LATTVRPOOXGHKC-ZDUSSCGKSA-N 301.350 -0.079 30 20 DBED Cn1cc(C(=O)N[C@@]23CCC[C@H]2N(CC#N)CC3)n(C)c1=O 992526049 LQERQDPWAGPIOP-IUODEOHRSA-N 303.366 -0.026 30 20 DBED CC(=O)N1CCO[C@H](C(=O)NCC2=CCN(CC#N)CC2)C1 1001417699 HEVZBXNBRQXHJG-AWEZNQCLSA-N 306.366 -0.494 30 20 DBED C[C@@H](C#N)C(=O)N1CC(CNC(=O)[C@H]2CCC(=O)N(C)C2)C1 1002491727 RVDSLXICBSTODR-JQWIXIFHSA-N 306.366 -0.411 30 20 DBED N#CCN1CCC(NC(=O)C2CC3(C2)NC(=O)NC3=O)CC1 1003780573 SHDGDTSYDCVMMP-UHFFFAOYSA-N 305.338 -0.921 30 20 DBED Cn1nnc(CN2CC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)n1 1010458465 RWWGXZWWWZZEBY-SNVBAGLBSA-N 300.326 -0.586 30 20 DBED O=C(CN1CCCC1=O)NC1[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]12 1012750957 MPIYTNAGQVTQTQ-CHWSQXEVSA-N 315.373 -0.405 30 20 DBED C=CCN1CC[C@H](N2CC[C@H](NC(=O)Cc3cnc[nH]3)C2)C1=O 1015766519 YUJFHIGSOPKMDW-JSGCOSHPSA-N 317.393 -0.070 30 20 DBED C[C@@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN([C@H]1CCC(=O)NC1=O)C2 1017423753 XPYWITLJZKCSQZ-BJDJZHNGSA-N 304.350 -0.374 30 20 DBED CO[C@H](C)C(=O)N1CCC[C@H](C(=O)N2CCN(CC#N)CC2)C1 1018358109 LGVNBIFJJMOIIY-KGLIPLIRSA-N 322.409 -0.072 30 20 DBED C=CCN[C@H]1CCN(C(=O)CN2CCS(=O)(=O)CC2)C1 1019768566 ZWOVVAFIWYWDBL-LBPRGKRZSA-N 301.412 -0.907 30 20 DBED O=C(N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O)c1cnns1 1023127204 DMRVFLYQYBEULI-NXEZZACHSA-N 306.347 -0.747 30 20 DBED CC#CCN1CCO[C@@H](CNC(=O)c2cc(=O)c(OC)c[nH]2)C1 1035445950 VCBANNBEKPZNEX-LBPRGKRZSA-N 319.361 -0.163 30 20 DBED N#CCN1CCO[C@@H](CNC(=O)c2cn(CC3CC3)nn2)C1 1035561524 QEZUUXHLPXXWIE-LBPRGKRZSA-N 304.354 -0.358 30 20 DBED N#CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)c1ccc(-n2cncn2)nc1 1037535357 LMQVNADKJOGKTB-DYEKYZERSA-N 309.333 -0.012 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)Cc2ncc[nH]2)C1 1040696116 YEFVMETVVGTNKQ-HZMBPMFUSA-N 305.338 -0.809 30 20 DBED CCn1ccc(C(=O)N2CC[C@](O)(CNC(=O)[C@H](C)C#N)C2)n1 1040759013 CZXOFROEOZWUDN-ABAIWWIYSA-N 319.365 -0.244 30 20 DBED N#Cc1c(F)cccc1N1C[C@@H](O)[C@H](NC(=O)c2nc[nH]n2)C1 1041132532 BVZOAAZAXYSLQZ-ZYHUDNBSSA-N 316.296 -0.205 30 20 DBED N#Cc1cccnc1NC[C@@H]1CN(C(=O)CC(N)=O)CCCO1 1041488150 PERCATJZEBQDMK-GFCCVEGCSA-N 317.349 -0.142 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)C2CN(C(C)=O)C2)C1 1041956867 YGHNNCFXYNSCJC-UHFFFAOYSA-N 309.366 -0.880 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(O)(CNC(=O)[C@@H](C)COC)C1 1042022977 IBCANQFZWWCOBD-SMDDNHRTSA-N 314.382 -0.715 30 20 DBED CC(C)(C)C#CC(=O)N1CC(O)(CNC(=O)c2ncc[nH]2)C1 1042931534 RHFVNAJZDBXCNH-UHFFFAOYSA-N 304.350 -0.238 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCO[C@H]2C)C1 1043032688 FRBBJJDTUOZEJM-QWHCGFSZSA-N 324.377 -0.859 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)CC(F)(F)F)C1 1043040005 MIUDEFMYCLYTPU-SECBINFHSA-N 322.283 -0.333 30 20 DBED C=CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)CSC)C1 1043568852 POEAKNOIIKWLNQ-SNVBAGLBSA-N 302.396 -0.370 30 20 DBED COc1nc(C(=O)NCC2(O)CN(C(=O)C#CC3CC3)C2)co1 1044076446 JPPXMGQTIUCOSK-UHFFFAOYSA-N 319.317 -0.600 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)[C@@]23CCCN(CC2)C3)C1 1044337498 CIQUNTAUYWKFHB-WFASDCNBSA-N 320.393 -0.679 30 20 DBED C=C1CC(C)(C(=O)N2CC(O)(CNC(=O)[C@@H](C)CC(N)=O)C2)C1 1044417583 AVZOCYZRTSHGHP-NSHDSACASA-N 323.393 -0.456 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)[C@H]2CCCOCC2)C1 1045541199 RGDUDLDFLMYZCB-RYUDHWBXSA-N 309.366 -0.348 30 20 DBED CC(C)(C)C#CC(=O)N1CC(O)(CNC(=O)c2n[nH]cc2F)C1 1046206562 NERTVWMAVGSIEV-UHFFFAOYSA-N 322.340 -0.099 30 20 DBED N#Cc1nccnc1N[C@H]1C[C@@H](CNC(=O)[C@@H]2CCC(=O)N2)C1 1046423069 UVIDJSIPOKRWRC-AXFHLTTASA-N 314.349 -0.066 30 20 DBED C#CCN1CCC(F)(F)[C@H](CNC(=O)[C@H]2COC(=O)N2)C1 1046933510 DWDAHULXRGBHDF-NXEZZACHSA-N 301.293 -0.199 30 20 DBED CN(C(=O)Cc1cnn2c1CCCC2)[C@H]1CN(CC#N)C[C@@H]1O 1047415735 KNPRURVWTZFNMF-GJZGRUSLSA-N 317.393 -0.211 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2c(C)c[nH]c2CC(N)=O)C1 1047537278 CCKYQUUQNXLAOT-STQMWFEESA-N 318.377 -0.899 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cccn3c(O)nnc23)C1 1047596786 AJEKTTVMOCWSDI-RYUDHWBXSA-N 315.333 -0.815 30 20 DBED C#CCN1C[C@H]2CN(C(=O)CCc3nnc(O)nc3O)C[C@H]2C1 1048916746 IHAQWJJSLLGLNO-PHIMTYICSA-N 317.349 -0.761 30 20 DBED CN(C(=O)CCCC(N)=O)[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 1049039952 SDQKLPHJJVCAKS-STQMWFEESA-N 321.377 -0.915 30 20 DBED C[C@@H]1[C@@H](NC(=O)Cn2cnnn2)CCN1c1ccc(C#N)nc1 1050061177 LPINVVHXQXNNPK-MFKMUULPSA-N 312.337 -0.277 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1COCCN1CC(=O)NC 1051114423 JBIOEUVIMPZPTN-UPJWGTAASA-N 311.382 -0.860 30 20 DBED N#CCN1CCN([C@@H]2CCN(C(=O)c3cnnc(O)c3)C2)CC1 1052041669 OSLZDKMNFZVPSA-CYBMUJFWSA-N 316.365 -0.462 30 20 DBED N#CCN1CCN([C@H]2CCN(C(=O)c3ccncn3)C2)CC1 1052098049 CERQERHQWHECFN-ZDUSSCGKSA-N 300.366 -0.168 30 20 DBED N#CCN1CC2(C1)CN(C(=O)c1cn3c(n1)COCC3)CCO2 1053308874 RVGORMFXOFLWSY-UHFFFAOYSA-N 317.349 -0.536 30 20 DBED Cn1ccc(C(=O)N2CCOC3(CN(CC#N)C3)C2)cc1=O 1053313210 ZCKSDQKQWUSFLO-UHFFFAOYSA-N 302.334 -0.564 30 20 DBED COCCn1nc(C(=O)N2C[C@H](C)[C@H](NCC#N)C2)ccc1=O 1054878300 AQAHAHZPJFZHAH-WCQYABFASA-N 319.365 -0.537 30 20 DBED CNC(=O)C1(C(=O)N2C[C@@H]3CN(C(=O)[C@@H](C)C#N)C[C@@H]3C2)CC1 1055395560 ZOYCCDZUSFWDEA-SDDRHHMPSA-N 318.377 -0.411 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@](CO)(NC(=O)c2cncn2C)C1 1056001032 WVABHTCCVKYWDL-XHDPSFHLSA-N 319.365 -0.337 30 20 DBED Cc1nc(N2C[C@H]3[C@H](NC(=O)Cn4ncnn4)[C@H]3C2)ccc1C#N 1056310067 PGFIJFOHKXWJDB-JYAVWHMHSA-N 324.348 -0.501 30 20 DBED Cn1cccc1C(=O)NCCN(CCO)C(=O)CSCC#N 1057027037 WDTPPIKEFOYRRM-UHFFFAOYSA-N 324.406 -0.167 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)[C@@H](C)n1cccn1 1057050109 YOLMDNZPAMFXKL-VXGBXAGGSA-N 307.354 -0.459 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)C[C@H]1CCCO1 1057070177 WIFXPSLUKBCGFM-CYBMUJFWSA-N 314.382 -0.305 30 20 DBED CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)c1ccc(C#N)[nH]1 1057366720 CRGOVKXJSUDXGJ-NSHDSACASA-N 322.365 -0.138 30 20 DBED C=C[C@@H](CC)CC(=O)NCCN(CCO)C(=O)CC(=O)NC 1057416830 JRDPRKFBMHQTOT-LBPRGKRZSA-N 313.398 -0.338 30 20 DBED C=CCCO[C@H](C)C(=O)NCCN(CCO)C(=O)c1ncc[nH]1 1057519294 ORQWADIHYRKLMB-GFCCVEGCSA-N 324.381 -0.058 30 20 DBED Cc1cc(CC(=O)NCCN(CCO)C(=O)C#CC2CC2)n[nH]1 1057531198 IJJNAZNSPBCLAV-UHFFFAOYSA-N 318.377 -0.389 30 20 DBED Cn1nnc(C(=O)N2CCC[C@H](Nc3cnc(C#N)cn3)C2)n1 1057738341 QMTGENVWWWNNQZ-VIFPVBQESA-N 313.325 -0.412 30 20 DBED CCn1cc(C(=O)N[C@@H]2CCN(c3cnc(C#N)cn3)C2)nn1 1058431654 BFGNEINIUFNPAX-SNVBAGLBSA-N 312.337 -0.032 30 20 DBED C=C(C)C[C@@H](C)C(=O)N(CCO)CCNC(=O)Cn1ncnn1 1058463910 JWZRJTSWONHOJB-GFCCVEGCSA-N 324.385 -0.788 30 20 DBED Cc1ncnc(O)c1C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N 1058478373 BBPCGFLCOIBSJM-VIFPVBQESA-N 321.337 -0.799 30 20 DBED C=C1CC(C)(C(=O)N(CCO)CCNC(=O)[C@@H]2CCC(=O)N2)C1 1058771169 UJUINYDLEAJEBZ-LBPRGKRZSA-N 323.393 -0.442 30 20 DBED C[C@H](C#N)C(=O)NCC[C@H]1CCN(C(=O)CN2CCOCC2)C1 1059493273 MZEABBJZVBDIIM-KGLIPLIRSA-N 322.409 -0.167 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@@H](CCNC(=O)c2cnn[nH]2)C1 1059648005 KWCNIUZVXCCQJN-VXGBXAGGSA-N 319.365 -0.189 30 20 DBED C[C@]1(C(=O)N[C@H]2C[C@@H](N=c3cc[nH]c(C#N)n3)C2)CNC(=O)C1 1059773290 HWVOQIXUQLHZHU-HFBDOXOYSA-N 314.349 -0.645 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H]1CC[C@H](NC(=O)C(N)=O)CC1 1060804190 RTQBLVCFIPYTGR-IJLUTSLNSA-N 309.366 -0.699 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCOC[C@@H]1CNC(=O)CSC 1061262125 VAFGSXUIQMYVOQ-RYUDHWBXSA-N 314.407 -0.269 30 20 DBED C=CCCC(=O)N1CCOC[C@H]1CNC(=O)CNC(=O)OC 1061349106 ANXIAHGFKVVPCV-LLVKDONJSA-N 313.354 -0.348 30 20 DBED C=CCCC(=O)N1CCOC[C@@H]1CNC(=O)C1(NC(N)=O)CC1 1061514505 BORGYVAHSIKTCN-NSHDSACASA-N 324.381 -0.503 30 20 DBED CC(C)C#CC(=O)NC[C@H]1COCCN1C(=O)Cn1nccn1 1061566244 ITACJAKNKYYJIW-ZDUSSCGKSA-N 319.365 -0.719 30 20 DBED Cc1nn[nH]c1C(=O)N1CCOC[C@H]1CNC(=O)C#CC1CC1 1061572889 HFLJTUGMUBSEOV-GFCCVEGCSA-N 317.349 -0.516 30 20 DBED Cn1cc(C(=O)NC[C@H]2CCN(c3ccnc(C#N)n3)C2)nn1 1061582418 BFJVLJVGXOWGNW-SNVBAGLBSA-N 312.337 -0.267 30 20 DBED Cn1nncc1C(=O)NC[C@@H]1CCN(c2ccc(C#N)nn2)C1 1061592635 QJBRXMMSVMROCM-JTQLQIEISA-N 312.337 -0.267 30 20 DBED C=CCCC(=O)N1CCOC[C@H]1CNC(=O)[C@@H]1CC(=O)N(C)C1 1061645300 UKVHWYSVRIABIH-CHWSQXEVSA-N 323.393 -0.226 30 20 DBED C=CCCOCC(=O)NC[C@H]1CN(C(=O)c2cn[nH]c2)CCO1 1064900941 FSJOSDYYHAQWQM-ZDUSSCGKSA-N 322.365 -0.040 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(C(=O)CN2CCCC2)CCO1 1065172060 REXLPBPSGCPHBS-HNNXBMFYSA-N 319.405 -0.161 30 20 DBED COCCC(=O)N1CCN([C@@H]2CCN(C(=O)[C@H](C)C#N)C2)CC1 1065711192 JESQXVPMEJEPPI-ZIAGYGMSSA-N 322.409 -0.072 30 20 DBED N#Cc1nccc(N2CCOC[C@@H]2CNC(=O)[C@@H]2CCOC2)n1 1066469795 HOIIGZDVTQKDMU-NEPJUHHUSA-N 317.349 -0.294 30 20 DBED Cc1cc(=N[C@@H]2CCN(C(=O)CC(N)=O)[C@H]2C)c(C#N)c[nH]1 1068807948 UNWASEORDISFLS-CMPLNLGQSA-N 301.350 -0.040 30 20 DBED CN1CCO[C@H](C(=O)NCc2cnn3c2CN(CC#N)CC3)C1 1069856938 RRLKOSPJGDIDMF-AWEZNQCLSA-N 318.381 -0.831 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H]2CCCC(=O)N2)C1 1069952357 GLBAPCBSADWHSC-UPJWGTAASA-N 318.381 -0.526 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)[C@@H]2COC(=O)N2)CCOCC1 1070231282 ROSZHCKELOUIPC-UWVGGRQHSA-N 324.337 -0.964 30 20 DBED C#CCN1CCOC[C@@H]1c1n[nH]c(CNC(=O)c2cocn2)n1 1070581520 CBTDZDFWZMCYAE-LLVKDONJSA-N 316.321 -0.271 30 20 DBED C=CCN1C[C@H]2C[C@@H]3CN(C(=O)[C@H]4COCCO4)C[C@@]3(C1)O2 1070767430 YNBZBNDVPHNYFW-IXYNUQLISA-N 308.378 -0.111 30 20 DBED CC#CCN1CCNC(=O)CCN(C(=O)Cn2cccn2)CC1 1070939459 LYFMIIYJKDSHRZ-UHFFFAOYSA-N 317.393 -0.443 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)Cc3cn(CC)nn3)C[C@H]21 1074302656 URJFWXRVCILPKV-HUUCEWRRSA-N 317.393 -0.225 30 20 DBED C#CCN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)CN1CCC(=O)NC1=O)C2 1079081168 BMJBLELBMZXSFW-JHJVBQTASA-N 318.377 -0.469 30 20 DBED C#CCCCC(=O)N1C[C@H](CNC(=O)c2cnsn2)[C@@H](O)C1 1081299488 FQFZSMLVJHTEEH-JQWIXIFHSA-N 322.390 -0.109 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2oncc2C)C[C@H]1O 1081344709 UAKIEOQPBXDDFL-NWDGAFQWSA-N 323.349 -0.265 30 20 DBED CC#CCCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CC(=O)NC)C1 1081434633 YLTARVYUZUHDRO-QWHCGFSZSA-N 323.393 -0.748 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)c2ccon2)C[C@H]1O 1081463068 JDHZRLQRPYQMSW-DGCLKSJQSA-N 305.334 -0.117 30 20 DBED C=CCC(C)(C)C(=O)N1C[C@H](O)[C@H](CNC(=O)c2cnn[nH]2)C1 1081589394 DTAJATQVCMLUBX-PWSUYJOCSA-N 321.381 -0.044 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2cn(CC)nn2)C1 1081724388 HZAMEYXSZKRZLP-DGCLKSJQSA-N 321.381 -0.187 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)C[C@H]1CCN(C)C1=O 1083114565 MZIORLRHKQTPBJ-QLFBSQMISA-N 319.405 -0.210 30 20 DBED C#CCN1CCC(C(=O)N2CCO[C@@H]3CN(CCO)C[C@@H]32)CC1 1083283794 UIBWLWGGAYYYEV-JKSUJKDBSA-N 321.421 -0.765 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)Cc2ccccc2C(N)=O)C1 1083691833 JPDZQGSWCILVPR-CABCVRRESA-N 315.373 -0.487 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(Cc2ccnn2C)C[C@@H]1O 1083789432 AWDGBFSFLRZWHY-KBXIAJHMSA-N 320.393 -0.328 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2csc(-c3nc[nH]n3)n2)C1 1083856354 WQHZFOVPCXGDHI-SCZZXKLOSA-N 318.362 -0.664 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)[C@H]2CCN(C(C)=O)C2)C1 1084003872 QATIJQWJXCMCKN-XQQFMLRXSA-N 315.801 -0.231 30 20 DBED C=C(C)CN1CC[C@@H]2CN(C(=O)[C@H]3CCS(=O)(=O)N3)[C@@H]2C1 1084838787 ZYUUHDRRLOBXBO-JHJVBQTASA-N 313.423 -0.213 30 20 DBED N#CCN[C@@H]1CCCCCN(C(=O)Cn2c(O)nnc2O)C1 1088418502 QKNRUKCGZOGBQB-SNVBAGLBSA-N 308.342 -0.426 30 20 DBED C=C(C)CCN1CC[C@@H](NC(=O)c2nnc(O)nc2O)[C@@H](O)C1 1090398289 XMUJYHXHBNTOHQ-ZJUUUORDSA-N 323.353 -0.586 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2ccc3ncn(C)c3n2)[C@@H](O)C1 1090571832 CJPYEOCMKLBYPK-RISCZKNCSA-N 313.361 -0.234 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(c2cnc(F)cn2)C[C@H]1OC 1090921867 VDICQNXAJLNWTM-QJPTWQEYSA-N 322.340 -0.026 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(c2nccnc2F)C[C@@H]1O 1091118343 IWJIPUNHXZZFPP-MXWKQRLJSA-N 310.329 -0.128 30 20 DBED CCNC(=O)CC(=O)NC[C@H]1C[C@@H](N=c2cc[nH]c(C#N)n2)C1 1091344457 RYGVTDRFURVJRR-PHIMTYICSA-N 316.365 -0.397 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(c2nccn3nnnc23)[C@@H]1C 1091950641 UCKHKZRUHJLSDW-MNOVXSKESA-N 317.353 -0.195 30 20 DBED C[C@@H]1[C@@H](NC(=O)C(C)(C)C(N)=O)CCN1c1nccnc1C#N 1092022811 WSEYTINYOGMZRL-ZJUUUORDSA-N 316.365 -0.057 30 20 DBED CC(C)[C@@H](O)C(=O)N[C@H]1[C@@H]2CN(c3ccnc(C#N)n3)C[C@@H]21 1093260289 IUSRBOANYIFCDP-XXSPCDMZSA-N 301.350 -0.084 30 20 DBED C=CCNC1CCC2(CC1)CN(C(=O)Cn1ncnn1)CCO2 1093397862 GHLOQZIEUOGKTH-UHFFFAOYSA-N 320.397 -0.011 30 20 DBED C=CCN1CC(n2cc(CNC(=O)c3cnn(CC)n3)nn2)C1 1094288278 LEKVRBUBYMGDRU-UHFFFAOYSA-N 316.369 -0.138 30 20 DBED C#CCN1CCN(C(=O)[C@@H]2CC2(F)F)[C@@H]2CS(=O)(=O)C[C@@H]21 1094631546 NNPUYIOSPZNVNS-GARJFASQSA-N 318.345 -0.415 30 20 DBED C[C@H](NC(N)=O)C(=O)N1CCCN(c2nccnc2C#N)CC1 1095174629 RYFWHAQNDWCHEV-JTQLQIEISA-N 317.353 -0.556 30 20 DBED CC(=O)N[C@H](C)C(=O)NCCCN(C)c1ccc(C#N)nn1 1095487534 XEHZOURXQUJIAK-SNVBAGLBSA-N 304.354 -0.185 30 20 DBED CN(CCCNC(=O)C[C@H]1CCNC1=O)c1ccc(C#N)nn1 1095654670 BERZFBFSGJIHCD-LLVKDONJSA-N 316.365 -0.183 30 20 DBED C[C@H](CC(N)=O)C(=O)N[C@H]1CCN(c2ccc(C#N)nn2)C1 1096458258 QQPVXGJXAFLGHP-KOLCDFICSA-N 302.338 -0.445 30 20 DBED N#Cc1cnc(N2CCCC[C@H]2CNC(=O)CNC(N)=O)cn1 1097392203 CAPNFOZOASYMCF-NSHDSACASA-N 317.353 -0.508 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCCS1(=O)=O)Nc1cnc(C#N)cn1 1097883312 KMTVHROOBBJCFS-GXSJLCMTSA-N 323.378 -0.158 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CCCNC1=O)Nc1nccnc1C#N 1098120632 JLUXGWNIXVBUQR-VHSXEESVSA-N 302.338 -0.209 30 20 DBED N#Cc1nccnc1NC[C@@H]1CCN(C(=O)CNC(N)=O)C1 1098500677 HDZDGNLGSAQCRS-VIFPVBQESA-N 303.326 -0.723 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H]1CCN(C(=O)CCNC(N)=O)C1 1098529269 INZSVGXEHCXLLU-LLVKDONJSA-N 316.365 -0.306 30 20 DBED CN(c1cncc(C#N)n1)[C@@H]1CCCN(C(=O)CNC(N)=O)C1 1098680624 KUKYBOSKUIOTOP-LLVKDONJSA-N 317.353 -0.556 30 20 DBED CNC(=O)CN1C[C@H](NC(=O)[C@@H](C)C#N)CC2(CCOCC2)C1 1099572267 TYSSTFVHVSASIM-QWHCGFSZSA-N 322.409 -0.121 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)CC2CCC2)[C@@H](O)C1 1099754349 FQBHYQOTOYNHBW-KGLIPLIRSA-N 307.394 -0.523 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2coc(C)n2)[C@@H](O)C1 1099792515 VUQAKNXRVOIYFK-JSGCOSHPSA-N 307.350 -0.202 30 20 DBED Cn1nccc1CCN1CC[C@H](NC(=O)C#CC2CC2)[C@H](O)C1 1099827331 VSRPUTYYIITKQT-JKSUJKDBSA-N 316.405 -0.073 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)C(C)(C)C(=C)C)[C@@H](O)C1 1099947671 YZWWWTGMLNQITN-KBPBESRZSA-N 321.421 -0.111 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)C/C=C(/C)C=C)[C@H](O)C1 1099954782 OXAJHVPQEHGNJZ-TUJBUDNFSA-N 319.405 -0.190 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)CCCC2CC2)[C@H](O)C1 1099967697 RTBVVOGRUORCOT-HUUCEWRRSA-N 321.421 -0.133 30 20 DBED C#CCNC(=O)CC(=O)NCCN(C)c1cnc(C#N)cn1 1100037774 RSXHCBUAZFKELZ-UHFFFAOYSA-N 300.322 -0.960 30 20 DBED C=C(C)CNC1CC(CNC(=O)CN2CCN(C)C(=O)C2)C1 1100463378 BKSLGPXENWKUDL-UHFFFAOYSA-N 308.426 -0.179 30 20 DBED N#Cc1nccc(N2CC[C@@H](CNC(=O)CCNC(N)=O)C2)n1 1100980084 IJCXEKSXKXGPJP-JTQLQIEISA-N 317.353 -0.651 30 20 DBED C[C@H](CC(N)=O)C(=O)N[C@@H]1CC2(CN(CC#N)C2)n2ccnc21 1101635791 SCQHOYPNDRKXBJ-GHMZBOCLSA-N 316.365 -0.510 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1CNC(=O)CN1CCCS1(=O)=O 1102023725 HCVGERPTAIZAAI-VXGBXAGGSA-N 314.411 -0.770 30 20 DBED C#CCN1C[C@@H](C)[C@H](CNC(=O)Cn2ccc(O)nc2=O)C1 1102128794 WIDXGBFNQJEUDG-VXGBXAGGSA-N 304.350 -0.734 30 20 DBED CC[C@@H](CNC(=O)CNC(=O)OC)N=c1cc[nH]c(C#N)n1 1103022373 HIMZKTSYFRMMOB-VIFPVBQESA-N 306.326 -0.567 30 20 DBED CC[C@H](CNC(=O)CCn1cnnn1)Nc1cnc(C#N)cn1 1103173626 MUNJINCPNJSYNL-SNVBAGLBSA-N 315.341 -0.268 30 20 DBED N#CCNCc1cn(C2CN(C(=O)CC3(O)CCC3)C2)nn1 1105233137 KFIMWUBEOOQOFS-UHFFFAOYSA-N 304.354 -0.420 30 20 DBED CN(CCN(C)c1ncc(C#N)cc1F)C(=O)Cn1ncnn1 1105473405 YINVNQZFYMUKAA-UHFFFAOYSA-N 318.316 -0.326 30 20 DBED CN(CCN(C)c1nccnc1C#N)C(=O)c1cn(C)c(O)n1 1105555871 OOUUNCRGGWQETC-UHFFFAOYSA-N 315.337 -0.004 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)c2ccc(O)nn2)nc1 1105734791 DPYORWNCKGLVIU-SNVBAGLBSA-N 314.305 -0.348 30 20 DBED N#CCSCC(=O)NC[C@@H](O)CNc1cncc(C#N)n1 1105755227 QHDUXXJYNRTNPQ-JTQLQIEISA-N 306.351 -0.506 30 20 DBED Cn1nnc(C(=O)NC[C@@H](O)CNc2cccc(F)c2C#N)n1 1106054991 LOTAWHNGRYZHLI-QMMMGPOBSA-N 319.300 -0.576 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)C2CC(=O)NC(=O)C2)C[C@H]1C 1106761143 FHWICYGSJWVRSZ-DGCLKSJQSA-N 305.378 -0.253 30 20 DBED C#CCNC(=O)CN1CC(n2cc(CNC(=O)C(C)C)nn2)C1 1107129522 BYIWIJIOZQVBIJ-UHFFFAOYSA-N 318.381 -0.844 30 20 DBED C[C@H](C#N)C(=O)NC[C@@]1(C)CN(Cc2nnnn2C)CCO1 1107818902 IDZXRMGKJVGVOR-MFKMUULPSA-N 307.358 -0.923 30 20 DBED C[C@H](C#N)C(=O)NC[C@]1(C)CN(CCNC(=O)C2CC2)CCO1 1107820965 GXCNFDCFRFAEFP-MLGOLLRUSA-N 322.409 -0.121 30 20 DBED C=CCN1CCO[C@@](C)(CNC(=O)c2cc(=O)n(C)cn2)C1 1108003618 KGQNXBINKMFGIB-HNNXBMFYSA-N 306.366 -0.213 30 20 DBED C[C@]1(CNC(=O)[C@@H]2CCCN(C(N)=O)C2)CN(CC#N)CCO1 1108057339 GTGARXIICRIJJY-DOMZBBRYSA-N 323.397 -0.492 30 20 DBED CC(C)c1nnnn1CC(=O)NC[C@@]1(C)CN(CC#N)CCO1 1108267547 DFYWMDDEMZLJRT-AWEZNQCLSA-N 321.385 -0.473 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)[C@@H]2CCCN2C(C)=O)C1 1108353766 NPSPKCXDYLTFHX-HOCLYGCPSA-N 307.394 -0.162 30 20 DBED CO[C@@H](C(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1)C1CCC1 1108558143 BBTDDJMYVIZGHD-SWLSCSKDSA-N 320.393 -0.274 30 20 DBED COC(=O)NCC(=O)N[C@@H](C)CN(C)c1nccnc1C#N 1108831326 HESVHJVAHSOZBX-VIFPVBQESA-N 306.326 -0.355 30 20 DBED CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H](C)C#N 1109080418 UFJAAYFCAQBZOC-USZNOCQGSA-N 321.381 -0.287 30 20 DBED CN1CCO[C@@H](C(=O)N(C)CCCNc2cnc(C#N)cn2)C1 1109418668 BIGHIHUDZFLMEJ-CYBMUJFWSA-N 318.381 -0.061 30 20 DBED CS(=O)(=O)CC(=O)N[C@@H](CNc1nccnc1C#N)C1CC1 1109769345 YPKAFMNHMBBQEX-NSHDSACASA-N 323.378 -0.300 30 20 DBED N#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCC(=O)N1CCOCC1 1110070210 PGUCJXRPDIVGBM-RDBSUJKOSA-N 320.393 -0.130 30 20 DBED N#Cc1cncc(NC2(CNC(=O)[C@@H]3CCC(=O)N3)CC2)n1 1110189160 JDQYEXVPFRBBLN-JTQLQIEISA-N 300.322 -0.312 30 20 DBED CN1C[C@@H](C(=O)NCC2(Nc3ccnc(C#N)n3)CC2)NC1=O 1110301402 HLIHLJJZIRDJRH-VIFPVBQESA-N 315.337 -0.567 30 20 DBED CCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1110372454 JBYAWKHEIMPVAG-UPJWGTAASA-N 308.382 -0.226 30 20 DBED N#Cc1cccnc1NCCN(CCO)C(=O)[C@H]1COCCO1 1111425439 JURVPCPICMIBCL-CYBMUJFWSA-N 320.349 -0.399 30 20 DBED Cn1cnc(C(=O)N(CCO)CCNc2nccnc2C#N)n1 1111460801 NYWIFEWBAWDXAF-UHFFFAOYSA-N 316.325 -0.977 30 20 DBED CNC(=O)CC(=O)N(C)CCCN(C)c1ccnc(C#N)n1 1112070319 KTLWBTCDOKNZAZ-UHFFFAOYSA-N 304.354 -0.231 30 20 DBED C=CCCO[C@H](C)C(=O)N1CCN([C@H]2CCC(=O)NC2=O)CC1 1112676596 QXRRBHBPROWRFT-OLZOCXBDSA-N 323.393 -0.083 30 20 DBED CC(C)(O)CC(=O)NC[C@@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1112717523 KVKHCIKVTHLULK-PWSUYJOCSA-N 319.365 -0.577 30 20 DBED N#Cc1cnc(N2C[C@@H](O)[C@H](CNC(=O)C(N)=O)C2)c(Cl)c1 1112751621 RDVWVKDFDPFAEU-PSASIEDQSA-N 323.740 -0.995 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)[C@H](C)n2cncn2)CC1 1112770725 XDVMYGPBYLGXMZ-OLZOCXBDSA-N 320.397 -0.326 30 20 DBED C[C@H](CNC(=O)C(C)(C)C(N)=O)N(C)c1nccnc1C#N 1113741352 PNGIMMLGQHCIGW-SECBINFHSA-N 304.354 -0.199 30 20 DBED N#CCNC(=O)CN1C[C@H]2C(NC(=O)C3CCOCC3)[C@@H]2C1 1113768970 CWQPQUBQBHLGIP-VXGBXAGGSA-N 306.366 -0.901 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)CSCC#N)[C@@H]2C1 1113899395 LYJNKVJSXUJPFR-QJPTWQEYSA-N 320.418 -0.573 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCC(=O)NC1)N(C)c1ccnc(C#N)n1 1113961237 ISRMSFIDYVXBNW-QWRGUYRKSA-N 316.365 -0.185 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)Cc3cc(C)on3)[C@@H]2C1 1114074266 IVRUCQMRRZVPBT-CHWSQXEVSA-N 318.377 -0.126 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)C3=CCOCC3)[C@H]2C1 1114163165 BPZDARBQJCUZGK-STQMWFEESA-N 305.378 -0.318 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)C3=CCOCC3)[C@H]2C1 1114165193 DABMSGDKIPTFGV-UBHSHLNASA-N 317.389 -0.483 30 20 DBED C#CCC1(C(=O)N[C@H]2[C@@H]3CN(CC(=O)NC(N)=O)C[C@@H]32)CCC1 1114396910 FUASWRZUBOXEDL-PJXYFTJBSA-N 318.377 -0.579 30 20 DBED CNC(=O)NC(C)(C)C(=O)NC1[C@H]2CN(CC#CCOC)C[C@H]12 1115293048 ZVRFHLVOIBRCMD-RYUDHWBXSA-N 322.409 -0.610 30 20 DBED CC(C)(C)N1CCN(C(=O)C(=O)N2CCO[C@@H](C#N)C2)CC1 1117901074 JECZGGNWPCGJCW-LBPRGKRZSA-N 308.382 -0.320 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CC[C@H]([C@@H](C)N)C2)nn1 1118146969 BDAPMYNGYLJORF-MNOVXSKESA-N 306.370 -0.724 30 20 DBED C[C@@H](CN(C)C(=O)[C@H]1CNC(=O)N1)Nc1cncc(C#N)n1 1120635098 RHORWYHRUMGSSO-WCBMZHEXSA-N 303.326 -0.712 30 20 DBED C[C@H](C(=O)NC[C@@H](CO)Nc1ccc(C#N)cn1)n1cncn1 1121345657 BYXJJVWBGZCHQZ-PWSUYJOCSA-N 315.337 -0.305 30 20 DBED Cc1ncoc1C(=O)NC[C@@H](CO)Nc1nccnc1C#N 1121431837 DYBUFTXPCJNIIF-VIFPVBQESA-N 302.294 -0.153 30 20 DBED C=CCCOCC(=O)NC[C@H](CO)Nc1cc(C)nc(CO)n1 1121748770 FHJDIQBUPGLKQR-GFCCVEGCSA-N 324.381 -0.241 30 20 DBED Cc1cc(C)c(C(=O)NC[C@H](CO)N=c2cc[nH]c(C#N)n2)[nH]1 1122866276 FXZQLLMNLYVZQK-LLVKDONJSA-N 314.349 -0.082 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)c1cccnc1 1124087132 ZENZWFPDTLJBNB-LBPRGKRZSA-N 312.333 -0.290 30 20 DBED CN(C[C@H](O)CNc1cnc(C#N)cn1)C(=O)c1cn[nH]c1 1124180661 YLNIIDWKAYIZFV-LLVKDONJSA-N 301.310 -0.384 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)c1n[nH]cc1C 1126852258 OGNXNZNRFGLZPJ-UHFFFAOYSA-N 306.370 -0.200 30 20 DBED C#CCO[C@H](C)C(=O)NCCNCc1nc(C2CC2)nn1C 1127046034 KNKDOLOTFNDPBH-LLVKDONJSA-N 305.382 -0.063 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1cn(C2CCC2)nn1 1127515890 HARWAJAAGFTDDP-LLVKDONJSA-N 318.381 -0.540 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)Cc1ncc(CC)[nH]1 1129831453 VKRUMQYNKCEPCW-NSHDSACASA-N 305.382 -0.642 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1cncc2ncn(C)c12 1129846447 PHJOOMMBNRCHKQ-UHFFFAOYSA-N 316.365 -0.410 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@H](C)OCC#C)C[C@H]1c1cn(C)cn1 1130593368 YJLGHOVBLWHBJF-OFQRWUPVSA-N 314.389 -0.024 30 20 DBED COCCOCCC(=O)N1C[C@@H]2C[C@@H]3CN(CC#N)C[C@]2(C1)O3 1131295043 YTZVDPQSCYOXPH-SQWLQELKSA-N 323.393 -0.135 30 20 DBED CCO[C@H](CC)C(=O)N1CCC(=O)NCCN(CC#N)CC1 1131334414 RRXJGKAOMYYBEH-CYBMUJFWSA-N 310.398 -0.024 30 20 DBED C#CCNC(=O)CN1C[C@H](NC(=O)CNC(=O)OC)CC[C@H]1C 1131839359 PVJVCAWXZWTEHK-VXGBXAGGSA-N 324.381 -0.939 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2[nH]nnc2C)CC[C@H]1C 1132212456 YURCRCBHLTZUFX-PWSUYJOCSA-N 318.381 -0.555 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1ncoc1[C@@H]1CCCO1 1132350365 SNPMAPCEOMQZLO-NSHDSACASA-N 320.349 -0.405 30 20 DBED C[C@@H]1CCN(C(=O)c2nnc(O)nc2O)C[C@@H]1CNCC#N 1132956074 XQEBIBIIJXFXKQ-BDAKNGLRSA-N 306.326 -0.506 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)c1conc1C 1133227719 JCLFZZAGSLFSBE-UHFFFAOYSA-N 309.326 -0.686 30 20 DBED COCCOCC(=O)N[C@H](C)C[C@H](C)NCC(=O)NCC#N 1133926311 GMWGUGPHKBYNOL-NWDGAFQWSA-N 314.386 -0.838 30 20 DBED C[C@@H](C[C@H](C)NC(=O)C1(CN(C)C)CC1)NCC(=O)NCC#N 1135298946 RUQCMSQOFGGJNK-STQMWFEESA-N 323.441 -0.159 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)CN(CC)CC 1135705860 KHQSQQJYBBHVLZ-KGLIPLIRSA-N 310.442 -0.050 30 20 DBED C[C@@H](C[C@H](C)NC(=O)c1cn(CC(=O)N(C)C)nn1)NCC#N 1146583572 MQMYZVYBHLBXPN-QWRGUYRKSA-N 321.385 -0.624 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@H]1CCc2n[nH]cc2C1 1147671548 OLWCGMVMYFXEKW-NSHDSACASA-N 305.382 -0.477 30 20 DBED C=CCNC(=O)CN1CCCO[C@@H](CNC(=O)c2cn[nH]c2)C1 1149214919 KSXQYQKTZBCAMH-ZDUSSCGKSA-N 321.381 -0.467 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)c1ccn(C)n1 1151089715 UIOYSVCISUZAFM-JTQLQIEISA-N 322.369 -0.860 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)c1cn(C)nc1C 1152439314 RZAKIYOXNBHZFO-LLVKDONJSA-N 320.397 -0.192 30 20 DBED C=CCO[C@@H](C)C(=O)NCCN[C@H](C)C(=O)NC(=O)NCC 1153097960 XQKZMARHAZIAFW-MNOVXSKESA-N 314.386 -0.483 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)C(C)(C)C(N)=O 1153903516 AHKCFJDJTNVIBK-LLVKDONJSA-N 310.398 -0.926 30 20 DBED C#CCNC(=O)CC(=O)NCCCN[C@H](C)c1nnc(CC)o1 1156852605 GVIXXKIZVOJKSO-LLVKDONJSA-N 321.381 -0.072 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)[C@H]1CCN(C)C1 1156883724 VRCDPYYEWKKZJV-OLZOCXBDSA-N 309.414 -0.596 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)[C@H]1CCN(C)C1 1156890218 JTAVZUGXGVNPHT-KGLIPLIRSA-N 308.426 -0.486 30 20 DBED C#CCOCCC(=O)NCCCNCC(=O)Nc1cnccn1 1157859588 OOCCFDTUDDHIOI-UHFFFAOYSA-N 319.365 -0.449 30 20 DBED N#CCNC(=O)CNCCCNC(=O)COCC1CCCC1 1160138286 XMJKSEIXTJXULD-UHFFFAOYSA-N 310.398 -0.071 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)c1ncc(OC)cn1 1162224113 SERFPFJCRCHETI-LLVKDONJSA-N 321.381 -0.115 30 20 DBED C#CCOCCC(=O)NCCC1(CNC[C@@H](O)COC)CC1 1164505297 WXLZIQJUTCHUNG-CQSZACIVSA-N 312.410 -0.090 30 20 DBED COCC1(C(=O)NCCC2(CNCC(=O)NCC#N)CC2)CC1 1166158440 HZXWIVFXVUICDM-UHFFFAOYSA-N 322.409 -0.071 30 20 DBED C#CCCNCCCNC(=O)Cn1nc2n(c1=O)CCCC2 1170371085 VKONEDNNTLHNOV-UHFFFAOYSA-N 305.382 -0.500 30 20 DBED C=C(C)CNCCCC[C@H](C)NC(=O)CNS(=O)(=O)NC 1171923227 DUYPPPANZYKAND-LBPRGKRZSA-N 320.459 -0.119 30 20 DBED C[C@H](CCCCNCC#N)NC(=O)CC[C@H]1NC(=O)NC1=O 1176484978 AQZGFOAGWIJTSS-GHMZBOCLSA-N 309.370 -0.237 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)C(C)(C)NC(C)=O)C[C@H]21 1177108201 ZHLPYBCKQLDBIF-KGLIPLIRSA-N 307.394 -0.164 30 20 DBED C=CCOCCN[C@@H]1CCN(C(=O)C2CS(=O)(=O)C2)C1 1182825344 RDXMAGMIZRKWHQ-GFCCVEGCSA-N 302.396 -0.576 30 20 DBED COCC(=O)NCCC(=O)N1CC[C@H](CNCC#N)[C@@H](C)C1 1184525286 VTFZCYCJCBZWMY-QWHCGFSZSA-N 310.398 -0.263 30 20 DBED CC#CCNC[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)C[C@@H]1C 1185639297 CHQCOFTZZRTFLZ-QWHCGFSZSA-N 320.393 -0.364 30 20 DBED N#CCNC(=O)CN1C[C@@H]2CCN(C(=O)Cc3ccoc3)[C@@H]2C1 1187646590 QXZABQCLRMIUDT-UONOGXRCSA-N 316.361 -0.005 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2cnn(C)c2N)C1 1189751946 LBANGXNVUJNCPZ-LLVKDONJSA-N 320.397 -0.549 30 20 DBED CCN(C)C(=O)CN1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 1192298548 SMSHMCDJVSANPX-CHWSQXEVSA-N 319.365 -0.860 30 20 DBED CCN(CC)C(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)C#CC2CC2)C1 1192861870 HEEOCYQBAJELNG-NWANDNLSSA-N 321.421 -0.182 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2cnc(C)nc2)C[C@H]1O 1192885595 AUWYBGOXVBFQEP-HUUCEWRRSA-N 318.377 -0.514 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCCN(C(=O)CSCC#N)CC1 1194919455 URSYYJJLOAFSDU-CYBMUJFWSA-N 322.434 -0.085 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H](CC)N2CCCC2=O)C1 1198833720 DMPXTGUZVKERBT-MGPQQGTHSA-N 307.394 -0.428 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2noc(CC)n2)C[C@H]1O 1199314933 UNYYCJWWGRKGNC-QJPTWQEYSA-N 324.381 -0.116 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)Cc2ccn(C)n2)CC1 1200455464 BZANYAYGGVBZGB-UHFFFAOYSA-N 317.393 -0.707 30 20 DBED C#CCCNC[C@H]1CN(C(=O)C[C@H]2CCNC2=O)CCCO1 1200680130 KPNIDFQNVAAZGW-KGLIPLIRSA-N 307.394 -0.257 30 20 DBED C#CCCNC[C@H]1CN(C(=O)C(=O)NCC(F)F)CCCO1 1200873078 DQRMHCVCKYTXKB-NSHDSACASA-N 317.336 -0.402 30 20 DBED COc1nn(C)cc1C(=O)N1CCCO[C@H](CNCC#N)C1 1201120609 PQQQPJBPBLRXAZ-LLVKDONJSA-N 307.354 -0.227 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)c2oncc2C)CC1 1203176417 WSTKANPDCVTZQC-UHFFFAOYSA-N 304.350 -0.073 30 20 DBED N#CCNC(=O)CN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)c1ncc[nH]1)C2 1204296379 SWNMOYPLSIHJDP-IJLUTSLNSA-N 316.365 -0.368 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)C(=O)C(C)(C)C)[C@H](C)C1 1206669781 BLUCSOIRCVXOML-VXGBXAGGSA-N 307.394 -0.213 30 20 DBED C#CCCNCC1CCN(C(=O)Cn2nc(C)n(C)c2=O)CC1 1206905628 GFJZNOQKMMVYOE-UHFFFAOYSA-N 319.409 -0.258 30 20 DBED CNC(=O)NC(=O)CN[C@@H]1CCCN(C(=O)C#CC2CC2)C1 1207999271 ZTOBWDOJEODVCS-GFCCVEGCSA-N 306.366 -0.564 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)CO[C@H]2CCOC2)C1 1208022517 ZYMJXTOQQUCILH-KBPBESRZSA-N 323.393 -0.878 30 20 DBED C#CCCN[C@H]1CCCN(C(=O)CS(=O)(=O)N(C)C)C1 1210899095 HICBZAKWQUVSIL-LBPRGKRZSA-N 301.412 -0.518 30 20 DBED N#CCNC(=O)CN[C@H]1CCCN(C(=O)CN2CCCC2)C1 1211080109 ASVOCOFEXGGQFX-ZDUSSCGKSA-N 307.398 -0.697 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H](C)NC(=O)COC 1217977404 YOWXTZONHKBJEP-MELADBBJSA-N 323.393 -0.928 30 20 DBED C#CCC1(C(=O)N[C@@H]2CN([C@@H](CC)C(N)=O)C[C@@H]2O)CCC1 1219785399 NFMIMCCMLGBAOS-AGIUHOORSA-N 307.394 -0.395 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)C2(COC)CCC2)C1 1220028070 VPJZJEFMDJDSCR-KGLIPLIRSA-N 310.394 -0.386 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@@H](OC)c2cnn(C)c2)C1 1220081974 LKWLTCVWHVFYMY-RDBSUJKOSA-N 306.366 -0.708 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)[C@@H](CC)NC(C)=O)C1 1220401629 HOLGCSMSJLKFSL-MCIONIFRSA-N 313.398 -0.735 30 20 DBED C#CCNC(=O)CC(=O)NC1CCN(CC(=O)NC(C)C)CC1 1226961868 PEQMGTLCYOOKLQ-UHFFFAOYSA-N 322.409 -0.769 30 20 DBED COCC#CCN1CC[C@@H]1CN(C)C(=O)C1CN(C(C)=O)C1 1233865404 IGLMRNZUYDXCBM-OAHLLOKOSA-N 307.394 -0.353 30 20 DBED C=C(C)CNC(=O)C(=O)Nc1cnn(CC(=O)NC2CC2)c1 1255280657 KQUHAFUIQKUAMF-UHFFFAOYSA-N 305.338 -0.208 30 20 DBED O=C(NC[C@@H](O)CN1CCCC1=O)c1cccc(C#CCO)c1 1262155536 NNHYPXJMAZFWRH-OAHLLOKOSA-N 316.357 -0.257 30 20 DBED CC(=O)N[C@@H](C(=O)NCCN/C(O)=C1/N=CC=CC1=O)C(C)C 1318397891 LQSAEWCNRDGZDG-GMXMXKFQSA-N 322.365 -0.210 30 20 DBED COCCN(CCC#N)S(=O)(=O)NCCN1CC=CC1 1321690824 OBBJEECPUUOGMG-UHFFFAOYSA-N 302.400 -0.445 30 20 DBED O=C(NCCN/C(O)=C1\N=CC=CC1=O)NCC1(O)CCC1 1323077420 JHNWCZZZBSWRNL-VAWYXSNFSA-N 308.338 -0.273 30 20 DBED C#CCSCCNC(=O)C(=O)NCCCc1nc(C)no1 1323329802 LKNCPIUVHLFPLB-UHFFFAOYSA-N 310.379 -0.091 30 20 DBED CCN(CC)[C@@H]1CCN(C(=O)C(=O)N2CCO[C@@H](C#N)C2)C1 1325101059 AYUONHKCHGQYDH-OLZOCXBDSA-N 308.382 -0.320 30 20 DBED N#CCSCC(=O)NCC#CCNC(=O)CSCC#N 1325761975 MDBIPYWIPPBONY-UHFFFAOYSA-N 310.404 -0.264 30 20 DBED C[C@@H]1CCCN(C(=O)C(=O)N2CCO[C@@H](C#N)C2)[C@@H]1CCO 1329754163 FUWZFQXDSSQOLV-FRRDWIJNSA-N 309.366 -0.253 30 20 DBED CC(C)(O)C1CN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1 1332057253 TUQCPVJHGQSWKC-ZDUSSCGKSA-N 320.393 -0.586 30 20 DBED N#CCC1(CNC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CC1 1336149690 JKQNXQBMQICEOG-ZDUSSCGKSA-N 315.377 -0.005 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N1CC[C@H](C(=O)OCC)C1 1336457019 HSYXRTRSOMDIBP-ZDUSSCGKSA-N 304.346 -0.117 30 20 DBED CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)C(=O)N1CCC(C#N)CC1 1343048707 DKULYRMQXXBDHK-NEPJUHHUSA-N 306.366 -0.221 30 20 DBED C=C(C)Cn1c(N2CCO[C@@H](C(=O)NC)C2)nnc1C1(O)CC1 1343590114 OHFMNFYLRQSXDU-LLVKDONJSA-N 321.381 -0.213 30 20 DBED C#CCOCCNC(=O)C(=O)NCc1cn2ccccc2n1 1344855885 SNMNKPQXQROGAN-UHFFFAOYSA-N 300.318 -0.284 30 20 DBED Cc1cc(CNC(=O)CCn2cc(C#N)c(O)nc2=O)ncn1 1362784741 YPWAYBFECBIYBH-UHFFFAOYSA-N 314.305 -0.375 30 20 DBED CO[C@@]1(C(=O)NCC2(C#N)CCOCC2)CCS(=O)(=O)C1 1365150581 JZRAQRVATYXPES-ZDUSSCGKSA-N 316.379 -0.373 30 20 DBED N#Cc1cn(CCNC(=O)NC[C@H]2CCC=CO2)c(=O)nc1O 1365578663 YIOMZBRULZCAQY-LLVKDONJSA-N 319.321 -0.188 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]1CN(C)C(=O)CCc1cnn[nH]1 1406539333 VRAXNODFFZFGST-CMPLNLGQSA-N 304.354 -0.044 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@@H](O)CNC(=O)c2cscn2)c1 1410105709 RNKDOLKXXICJNH-SECBINFHSA-N 319.346 -0.136 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)c2cccn3nnnc23)CC1 1410742027 LHAQAGFJSFWSIC-VIFPVBQESA-N 313.321 -0.337 30 20 DBED N#Cc1cn(CCNC(=O)COC(F)(F)F)c(=O)nc1O 1413306483 BSHZIQUMQSWZCL-UHFFFAOYSA-N 306.200 -0.527 30 20 DBED CC(=O)N1CCC[C@H](CNC(=O)NCCn2cnc(C#N)n2)C1 1413818232 VWHGVCGCNQJIRV-GFCCVEGCSA-N 319.369 -0.293 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)COCc1ccncc1 1431576799 UBEVHBVIZXGWJB-DGCLKSJQSA-N 320.349 -0.649 30 20 DBED C[C@H](CC(N)=O)C(=O)NCC1CN(C(=O)c2ccc(C#N)[nH]2)C1 1432465799 BWYOUERVSJFEOR-SECBINFHSA-N 317.349 -0.414 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)c2cccc(=O)n2C)CC1 1433980408 NGBDNBOABHGSDZ-SNVBAGLBSA-N 302.334 -0.076 30 20 DBED N#Cc1ccc(CNC[C@H](O)CNC(=O)Cn2cncn2)cc1 1445270731 MRENGVKEISDXHR-AWEZNQCLSA-N 314.349 -0.583 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C(=O)CN(C)C(=O)C2CC2)CC1 1453496148 YLNJUZWCCQMFKZ-NSHDSACASA-N 306.366 -0.315 30 20 DBED C[C@H](C#N)C(=O)NC[C@](C)(NC(=O)CCn1cnnn1)C1CC1 1457119061 CHNSOMYEFNVJJF-YGRLFVJLSA-N 319.369 -0.376 30 20 DBED C=C(Cl)CN1CC(O)(CNC(=O)[C@H]2CCC(=O)N2C)C1 1484290608 QLBNKAKBOBJYQY-SNVBAGLBSA-N 301.774 -0.477 30 20 DBED CC[C@H](C(=O)N(C)[C@H]1CCN(CC(=O)NCC#N)C1)N(C)C 1494862122 HIIRZYDWDVTHSC-QWHCGFSZSA-N 309.414 -0.501 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@@H](O)CNC(=O)C[C@H]2CCOC2)c1 1501478807 BKWOQGRGODXTOI-PWSUYJOCSA-N 320.349 -0.480 30 20 DBED N#Cc1c[nH]c(C(=O)NCC2(NC(=O)[C@H]3COC(=O)N3)CC2)c1 1506000820 KWSKYWBHWBVDFK-SNVBAGLBSA-N 317.305 -0.627 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1525150699 KWDPQRVUCYEPJI-CLHCLYRXSA-N 321.377 -0.039 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)c2n[nH]c3c2CCC3)C1 1566667096 YQTHKEXUGLFDBA-NSHDSACASA-N 315.377 -0.548 30 20 DBED CC[C@@](C)(NC(=O)CCn1cc(C#N)c(O)nc1=O)C(=O)O 1571098783 ZDWIRDAVPYBUCK-CYBMUJFWSA-N 308.294 -0.420 30 20 DBED CO[C@H]1CN[C@@H](C(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1 1574001821 ZANNANFCABUUGW-ZIAGYGMSSA-N 315.377 -0.021 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@]1(CO)CCCN(Cc2cnn[nH]2)C1 1575072432 IDUORFQFZHKVOG-GJZGRUSLSA-N 323.397 -0.425 30 20 DBED N#C[C@@H]1CN(C(=O)NCc2nc(-c3nn[nH]n3)cs2)CCO1 1581856854 HGQJKBGIUNWHNQ-SSDOTTSWSA-N 320.338 -0.243 30 20 DBED C#CC[C@H](CO)NC(=O)c1nc(O)c(-c2nn[nH]n2)cc1C 1588331506 PLHDAOFQDIBAFD-MRVPVSSYSA-N 302.294 -0.610 30 20 DBED C#C[C@@H](NS(=O)(=O)c1n[nH]c(C)c1C(=O)O)[C@@H]1CCCO1 1588377144 JAXJPUNDADQVLB-BDAKNGLRSA-N 313.335 -0.125 30 20 DBED C#CCN(CC(=O)O)C(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1 1588398832 CTKDEGKNFBKCJW-SNVBAGLBSA-N 304.306 -0.681 30 20 DBED C=C[C@@](C)(O)C(=O)NCCNc1ccc(-c2nn[nH]n2)cn1 1588499933 PHMGXDRPYVAKFM-CYBMUJFWSA-N 303.326 -0.273 30 20 DBED C=CCCn1cc(C(=O)N[C@@H](CC2OCCO2)C(=O)O)nn1 1588817288 GVXSNMIOOSBIJX-VIFPVBQESA-N 310.310 -0.200 30 20 DBED C=CCN1CCC(NC(=O)C(=O)NC[C@H]2C[C@H]2C(=O)O)CC1 1588838020 AHXZLJOSZXNYJC-ZYHUDNBSSA-N 309.366 -0.410 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(c2ncc(C(=O)O)cn2)C[C@H]1O 1588851179 XOFVUXIYMLSXRE-GHMZBOCLSA-N 322.321 -0.957 30 20 DBED CCN(CCC#N)C(=O)C(=O)Nc1ccc(-c2nn[nH]n2)cn1 1590690890 LKBXNPCEPHVVMG-UHFFFAOYSA-N 314.309 -0.038 30 20 DBED N#CCOc1ccc(NC(=O)C(=O)NC[C@H](O)CC(=O)O)cc1 1601074316 RUINNIHSFAFNOK-SNVBAGLBSA-N 321.289 -0.521 30 20 DBED O=C(/C=C\c1ccccc1-c1nn[nH]n1)N[C@@H]1CCN(O)C1=O 1606484918 JKJVFKVMZYXJAO-ISALQUGTSA-N 314.305 -0.014 30 20 DBED Cc1nc(C#N)c(-c2nn[nH]n2)n1CC(=O)NCC(F)(F)F 1609446702 NINJLHCVQKJGJU-UHFFFAOYSA-N 314.231 -0.078 30 20 DBED CN(CCC#N)S(=O)(=O)N[C@H]1CCN(c2cnn(C)c2)C1 1645567851 QWDOIROWOYKGEE-NSHDSACASA-N 312.399 -0.321 30 20 DBED Cn1nnc(CS(=O)(=O)C[C@@H](O)c2ccc(C#N)cc2)n1 1645926814 OUCYYKMCLKBPEG-LLVKDONJSA-N 307.335 -0.270 30 20 DBED C=CCNC(=O)CN1CCC[C@H](NC(=O)C(=O)NCC2CC2)C1 1713792735 SSQWOCURXHHTTK-ZDUSSCGKSA-N 322.409 -0.605 30 20 DBED COCC#CCN[C@H]1CCN(C(=O)Cn2ccccc2=O)C1 1714334017 WBLJYMFNDGKUBQ-AWEZNQCLSA-N 303.362 -0.311 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC[C@@H](NC(=O)Cc2cc[nH]n2)C1 1714920343 XBOJPUVALDZYAA-TZMCWYRMSA-N 317.393 -0.329 30 20 DBED CN(CC(=O)NCCN1CCN(CC#N)CC1)C(=O)C1CC1 1752365962 MZCCIUASIBVMQY-UHFFFAOYSA-N 307.398 -0.888 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)C2(N(C)C)CCC2)C1 1752390746 FOZPMHVKSUAMQO-CYBMUJFWSA-N 306.410 -0.589 30 20 DBED C=CCCNC[C@@H]1CCN(C(=O)[C@@H](C)NS(C)(=O)=O)C1 1752952677 DQFABMFMWRRIDO-NEPJUHHUSA-N 303.428 -0.062 30 20 DBED C#CCNC(=O)CN[C@H](C)CCNC(=O)[C@H]1CCNC(=O)CC1 1753009147 CFTHUXCLKPWVIW-CHWSQXEVSA-N 322.409 -0.864 30 20 DBED CC(C)Cn1nccc1C(=O)NCCN(C)CC(=O)NCC#N 1753051093 YYLCBIVHBWNSIC-UHFFFAOYSA-N 320.397 -0.160 30 20 DBED CN(CC(=O)NC[C@@H](NCC#N)c1ccccc1)S(C)(=O)=O 1753298789 MLDMMAPIXYTFLT-CYBMUJFWSA-N 324.406 -0.152 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C[C@H]1CN2C(=O)c1ccsn1 1753422316 RHBJGJPGRISUAE-QWRGUYRKSA-N 304.375 -0.209 30 20 DBED C#CCNC(=O)CN1CC[C@@H](N(CC)C(=O)[C@H]2CCN(C)C2)C1 1753462187 SICUTEOADSZRLO-LSDHHAIUSA-N 320.437 -0.390 30 20 DBED C=C(C)CCN1CCO[C@H](CNC(=O)CS(=O)(=O)NC)C1 1753658611 SXSPPACQGUOFTP-GFCCVEGCSA-N 319.427 -0.681 30 20 DBED C#CCNC(=O)CNC[C@H](NC(=O)[C@@H]1CCCN1C)C1CC1 1754435659 LCHGCQOKJLZGJQ-KBPBESRZSA-N 306.410 -0.686 30 20 DBED CC#CCN[C@H]1CCN(C(=O)CN2CCNC(=O)C2)C[C@@H]1CC 1754470952 SUZIVOLYPPXVBH-GJZGRUSLSA-N 320.437 -0.342 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@@H]1CNC(=O)CC1(O)CCC1 1754483621 LLKGCEGGRZNHQD-CHWSQXEVSA-N 307.394 -0.380 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)c2cnn[nH]2)[C@H](C)C1 1754597787 OPEUUMPWKANGHI-MNOVXSKESA-N 306.370 -0.310 30 20 DBED Cc1ncoc1C(=O)N[C@]1(C)CCN(CC(=O)NCC#N)C1 1754670615 KKABYQIEMLSARM-CQSZACIVSA-N 305.338 -0.183 30 20 DBED C=CCCOCC(=O)N1C[C@@H]2CN([C@H]3CCNC3=O)C[C@@H]2C1 1754847379 CLIILGUVHBNSDK-MJBXVCDLSA-N 307.394 -0.142 30 20 DBED C#CCNC1CCN(CCNC(=O)C23CCN(CC2)C3)CC1 1754850068 SFXHBAXRGQWIMU-UHFFFAOYSA-N 304.438 -0.114 30 20 DBED C#CCNCCN(CCO)C(=O)[C@H]1CCc2nncn2CC1 1754886977 OIJNSHPYUXDYCA-ZDUSSCGKSA-N 305.382 -0.726 30 20 DBED CCCS(=O)(=O)CC(=O)N1CCO[C@H](CNCC#N)C1 1755017942 OJPHZOFDEGAPOR-LLVKDONJSA-N 303.384 -0.848 30 20 DBED C#CCNC(=O)CN[C@@]1(CO)CCCN(C(=O)C2CCC2)C1 1755080705 LLGUBUALDMMWDO-INIZCTEOSA-N 307.394 -0.521 30 20 DBED C#CCNCC1(NC(=O)CS(=O)(=O)CC)CCOCC1 1755100443 UKKVBGPANKGTBH-UHFFFAOYSA-N 302.396 -0.691 30 20 DBED CC[C@H](C(N)=O)N1CCC(CO)(NC(=O)C#CC(C)C)CC1 1755177330 LSWDWBDEXSCEOW-CYBMUJFWSA-N 309.410 -0.147 30 20 DBED N#CCNCC1CC(NC(=O)[C@H]2CCc3nnc(O)n3C2)C1 1755213539 KMEWRQAOBNDIQW-YVNMAJEFSA-N 304.354 -0.446 30 20 DBED C#CCCCC(=O)NCC1[C@H]2CN(CC(=O)NCC#N)C[C@H]12 1755420087 JOLCSCBFHZBZCR-ZIAGYGMSSA-N 302.378 -0.276 30 20 DBED C=CCN(C)C1CCN(C(=O)CNS(=O)(=O)N(C)C)CC1 1755534257 HITCHETVSBWKGE-UHFFFAOYSA-N 318.443 -0.509 30 20 DBED CN(C[C@H](O)CNCC#N)C(=O)CN(C)C(=O)c1cccs1 1755780477 HDUGDZDCPMLGNC-LLVKDONJSA-N 324.406 -0.247 30 20 DBED CCOc1cc(C(=O)N(C)C[C@@H](O)CNCC#CCOC)[nH]n1 1755781770 JRKDCVXXQGASJT-LBPRGKRZSA-N 324.381 -0.519 30 20 DBED COCC#CCNC[C@H](O)CN(C)C(=O)Cn1nccc1C 1755789121 GYDJPGRYYJTZIZ-AWEZNQCLSA-N 308.382 -0.750 30 20 DBED C#Cc1ccc(C(=O)N[C@@H](C)[C@H](C)NC(=O)CC(N)=O)cn1 1755957506 CPUQQFJJWWWIOR-UWVGGRQHSA-N 302.334 -0.439 30 20 DBED C=CCOCC(=O)N1CC([C@@H](C)NC(=O)C[C@H]2CCNC2=O)C1 1756144044 AGRYWMWZDUELBP-VXGBXAGGSA-N 323.393 -0.322 30 20 DBED C#CCCCC(=O)N(C)C[C@@H](C)NC(=O)Cn1c(O)nnc1O 1756446151 BJCUFNGVNSXRMY-SNVBAGLBSA-N 323.353 -0.544 30 20 DBED C=CCC(C)(C)C(=O)NC[C@H](CO)NC(=O)c1ccc(O)nn1 1756521956 ZULLIKUULMHLLK-SNVBAGLBSA-N 322.365 -0.009 30 20 DBED CO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)CSCC#N 1757116497 UAPJTZLLNWPVTF-CHWSQXEVSA-N 321.402 -0.001 30 20 DBED O=C(O)COc1ccc(C=NNC2=NCC(=O)N2)cc1[N+](=O)[O-] 1776097672 WEOWQXBYVCVKQF-UHFFFAOYSA-N 321.249 -0.533 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)NC[C@@]1(C(=O)O)CCOC1 1776398543 MZQKEQMLSBAZFZ-ONGXEEELSA-N 305.356 -0.454 30 20 DBED N#CCC(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CCCO3)C2)C1 1783480162 BLZFFCFFYMAYEL-IUODEOHRSA-N 307.350 -0.091 30 20 DBED N#CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)C(O)O)[nH]n1 1816739354 IZOLMOHBSYJAPU-VIFPVBQESA-N 307.310 -0.374 30 20 DBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)S)C2)C1 1839810667 LEXBQALZZORSQN-SMDDNHRTSA-N 312.391 -0.606 30 20 DBED CN(C)C(=O)NCC(=O)N1CC2(CCCN2C(=O)CC#N)C1 1842620817 AOZZRMWUGWGVFI-UHFFFAOYSA-N 307.354 -0.625 30 20 DBED C[C@H](S)C(=O)N1CCCC12CN(C(=O)CNC(N)=O)C2 1846372183 NQBGREOXYNGTCE-QMMMGPOBSA-N 300.384 -0.824 30 20 DBED N#Cc1ccc(NC(=O)C(=O)NCCN2CCOCC2)cc1 48635061 COHUZEGKNMNZAK-UHFFFAOYSA-N 302.334 -0.055 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(C)Cc2cnn(C)c2)C1=O 53269812 LOGDUFFWNRZXPC-UHFFFAOYSA-N 319.321 -0.645 30 20 DBED C[C@H](C#N)CN(C)CCn1cnc2c1c(=O)n(C)c(=O)n2C 64796420 UAGAIQKDKNIHGK-SNVBAGLBSA-N 304.354 -0.475 30 20 DBED C#CCNC(=O)COC(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O 136151623 QJRAZGMVXAFUAP-PHIMTYICSA-N 306.318 -0.546 30 20 DBED C#CCNC(=O)[C@H](C)Nc1cnn(CC(=O)N2CCOCC2)c1 186342640 HKNBBNAARBHYSO-LBPRGKRZSA-N 319.365 -0.708 30 20 DBED CNC(=O)CCNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 289737273 HENPUCQRWRRIEE-UHFFFAOYSA-N 324.362 -0.911 30 20 DBED C#CCN(C)CCCNC(=O)CCCN1C(=O)CN(C)C1=O 294077970 WMAXDQHCVUKQAC-UHFFFAOYSA-N 308.382 -0.268 30 20 DBED CC1(C)C(O)=NC(=O)N1C/C(O)=N/CC(=O)N1CCOCC1 329512840 XVBDJTHOQHSRPJ-UHFFFAOYSA-N 312.326 -0.028 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)c2cn(C)nc2C)CC1 330740913 RKAIHCKOUZNSPR-UHFFFAOYSA-N 305.382 -0.211 30 20 DBED C[C@H]1C[C@H](C)CC2(C1)NC(=O)N(CC(=O)NCC#CCO)C2=O 331671510 PXKRKFUEWZCYEM-RYUDHWBXSA-N 321.377 -0.155 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N[C@H](C(N)=O)c2ccccc2)CCO1 336907545 FYQLVYAPAJGDPK-NEPJUHHUSA-N 324.362 -0.728 30 20 DBED C[C@@H](CC#N)NC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 338082172 ROXAUNURLJCAQB-STQMWFEESA-N 308.382 -0.415 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N[C@@H]1CCc2nc(C)nn2C1 341633737 CQBMYINJYXEYQH-GFCCVEGCSA-N 321.381 -0.321 30 20 DBED CS(=O)(=O)NCCCNC(=O)Nc1ccn(CCC#N)n1 345342114 JWVGTWONVPJUPT-UHFFFAOYSA-N 314.371 -0.142 30 20 DBED Cc1nc([C@@H](C)NS(=O)(=O)N2CCO[C@H](C#N)C2)n[nH]1 352538571 MAHVULBPLNUEFH-VXNVDRBHSA-N 300.344 -0.767 30 20 DBED COC(=O)CN(CC#N)C(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O 353562446 CJPKRIQYHWFUHI-PHIMTYICSA-N 321.333 -0.313 30 20 DBED C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CNC(=O)C2)c1 353924681 JYAHGCYLPRMTBI-LLVKDONJSA-N 323.374 -0.231 30 20 DBED N#C[C@H]1CN(C(=O)CNC(=O)COc2ccccc2)CCO1 358257572 USCFIPWEGUIOPV-ZDUSSCGKSA-N 303.318 -0.067 30 20 DBED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NC[C@H](O)C2CC2)n1 359389964 OLIWJIKYLUZDPG-NSHDSACASA-N 319.365 0.335 30 20 DBED C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CC(C)(C#N)C1 361220907 ORVYNYFNCRDXJH-SECBINFHSA-N 311.367 -0.541 30 20 DBED Cn1c(N2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)c(C#N)c(=O)n(C)c1=O 364992638 MXQKYYVWNUKELU-QXEWZRGKSA-N 317.349 -0.954 30 20 DBED Cc1cccc(NC(=O)C(=O)N2C[C@H](O)C[C@H]2CO)c1C#N 372653070 NNGDOMPYVLUCDY-WDEREUQCSA-N 303.318 -0.241 30 20 DBED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N1C[C@@H]2CNC[C@@H]2C1 418821334 GGHCJFHVZYXOII-YIYPIFLZSA-N 307.394 -0.238 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2CCN[C@H](C)C2)C1=O 423491910 KSBLQFMSWPTTRO-VXGBXAGGSA-N 308.382 -0.948 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N1C[C@@H](N)[C@H](c2cnn(C)c2)C1 424301834 WFFRBKRCCFXEHH-KGYLQXTDSA-N 320.397 -0.453 30 20 DBED N#Cc1ccc(NC(=O)C(=O)N2C[C@@H](O)C[C@H]2CO)c(F)c1 442286859 AGKDASURUVJXAF-UWVGGRQHSA-N 307.281 -0.410 30 20 DBED Cc1nccnc1N1CCN(S(=O)(=O)N(C)CCC#N)CC1 443079768 RCFXRSOGYRPTOF-UHFFFAOYSA-N 324.410 -0.003 30 20 DBED C#CCN1CCN(C(=O)CN2C(=O)N[C@@](C)(CCC)C2=O)CC1 490799509 HLGIAPFHTCZHME-INIZCTEOSA-N 320.393 -0.126 30 20 DBED N#CCCN(CCN1CCOCC1)C(=O)CNC(=O)C1CC1 522191884 KEJZOHCLFNXYMW-UHFFFAOYSA-N 308.382 -0.413 30 20 DBED C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CC(C)(C#N)C1 582160303 CZVVUSZYCPOTEN-QMMMGPOBSA-N 305.338 -0.917 30 20 DBED C[C@H](O)[C@H]1CCCN(C(=O)C(=O)N2CCN(CCC#N)CC2)C1 601436704 KBDIFRHKNHAVIB-KBPBESRZSA-N 322.409 -0.336 30 20 DBED CC[C@@H](C)N(C)CCNC(=O)C(=O)N1CCN(CCC#N)CC1 602241772 KAVZGNVAXMJAKF-CQSZACIVSA-N 323.441 -0.109 30 20 DBED C[C@]1(CO)C[C@@H](O)CN1CC(=O)NCc1cccc(C#N)c1 602906777 KIHXTRQSDGEYJD-GDBMZVCRSA-N 303.362 -0.008 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)Cn2ccc(C(=O)OC)n2)C1=O 603044125 VLZBJMZOZZKOLK-GFCCVEGCSA-N 320.349 -0.085 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)[C@H](CCC)S(N)(=O)=O)C1=O 614393922 LIKXYUZTHFOAGB-QWRGUYRKSA-N 317.411 -0.311 30 20 DBED N#C[C@@]1(F)CCN(S(=O)(=O)CCCN2CCOCC2)C1 615546898 YLNZGWQJYMUBAC-LBPRGKRZSA-N 305.375 -0.024 30 20 DBED C=CCOCCNC(=O)N(C)[C@@H]1CCN(S(C)(=O)=O)C1 644225381 XXYWMXCOKCXQGQ-LLVKDONJSA-N 305.400 -0.136 30 20 DBED CC#CC[C@H](CO)NC(=O)NCCNC(=O)c1cccnc1 645162148 QYYRAOCMKAPPGA-CYBMUJFWSA-N 304.350 -0.115 30 20 DBED COCC#CCOn1nnc2ccc(S(=O)(=O)N(C)C)cc21 678823594 RHIHCQMQTKBUKO-UHFFFAOYSA-N 324.362 -0.240 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 752509222 NMLYXSDEVNWIFQ-QWHCGFSZSA-N 318.377 -0.421 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1coc(C(N)=O)c1 759781452 QDTAELMFVRKFNY-SSDOTTSWSA-N 309.278 -0.064 30 20 DBED CNC(=O)CNC(=S)NN=Cc1cccn1CC(=O)OC 776186839 VGPHJVQINDLQGK-UHFFFAOYSA-N 311.367 -0.795 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N(C)CCCC(=O)NC 783011141 KMZWVOVZGJLBLX-UHFFFAOYSA-N 305.400 -0.245 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)OCCO[C@H](C)C#N)C1=O 801834012 OYYAIAVPDVYKPZ-SECBINFHSA-N 309.278 -0.565 30 20 DBED N#Cc1cccc(OCC(=O)OCCn2cc(C(N)=O)nn2)c1 805941281 VAAOFNIWTNBVHX-UHFFFAOYSA-N 315.289 -0.129 30 20 DBED CC(=NNCC(=O)O)c1ccc(S(=O)(=O)CC(N)=O)cc1 814960281 JUOCXBMMEYBPFO-UHFFFAOYSA-N 313.335 -0.656 30 20 DBED CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CC(=O)N2)[C@H](C#N)C1 829693719 CAKRYKRADBVPPN-ZJUUUORDSA-N 308.338 -0.154 30 20 DBED C#CCCN1CCC(NC(=O)Cn2nc(C)n(C)c2=O)CC1 847516368 WLSHNGXIGFYQIV-UHFFFAOYSA-N 305.382 -0.506 30 20 DBED C#C[C@H](NC(=O)N1CC(S(=O)(=O)CC)C1)[C@H]1CCCO1 854004507 SRDYFUMUPPVTBZ-NWDGAFQWSA-N 300.380 -0.004 30 20 DBED COCCn1cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](O4)[C@@H]3C2=O)cn1 872426132 YFOOELIZOKKVAU-NDBYEHHHSA-N 316.317 -0.198 30 20 DBED C=C[C@](C)(O)C(=O)N1CCN(C(=O)C(=O)OC(C)(C)C)CC1 911817847 SMYUQZJZPXRDIT-HNNXBMFYSA-N 312.366 -0.064 30 20 DBED C#CC[C@H](CO)NC(=O)NC[C@H](C)CN1CCN(CC)CC1 920462821 WLCCTUNVCUGNRM-LSDHHAIUSA-N 310.442 -0.057 30 20 DBED C#CCN1CCC[C@@H](NC(=O)CCN2C(=O)CCNC2=S)C1 923559785 SOYULOHZTIKNBM-GFCCVEGCSA-N 322.434 -0.303 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)c3cnn(C)n3)C2)nc1 938372150 FFECAWIYGCSXLE-LBPRGKRZSA-N 324.344 -0.164 30 20 DBED C=CCn1cccc1C(=O)N1CC[C@@H](N(C)C(=O)C(N)=O)C1 938715084 HNQHDKXHUGYHRU-LLVKDONJSA-N 304.350 -0.168 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 938812641 MJDMVTVLTZOZLR-SDDRHHMPSA-N 323.393 -0.051 30 20 DBED Cc1nc(CN2CC(N3CCN(C(=O)[C@H](C)C#N)CC3)C2)n[nH]1 941349203 WSKRPNKKSGZTSM-LLVKDONJSA-N 317.397 -0.399 30 20 DBED C=CC(C)(C)C(=O)N1CCCN(C(=O)[C@@H]2CNC(=O)N2)CC1 941840649 IQCPPNUKGKYKSS-NSHDSACASA-N 308.382 -0.059 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CN2C(=O)CNC2=O)[C@H](C)C1 944787930 CPUXADBNHNHGMC-VXGBXAGGSA-N 306.366 -0.612 30 20 DBED CN(C(=O)c1c[nH]c(C#N)c1)C1CN(C(=O)c2ncn(C)n2)C1 954107089 URKFTAIJZGRQLV-UHFFFAOYSA-N 313.321 -0.389 30 20 DBED CN(C(=O)c1cncnc1O)C1CN(C(=O)C#CC2CC2)C1 954578977 DOKTYVFGYFYNTI-UHFFFAOYSA-N 300.318 -0.122 30 20 DBED C=CCN1C[C@@H](O)[C@H](CNC(=O)c2cc(CN(C)C)on2)C1 958201117 WGNORWVCWZDWKP-BXUZGUMPSA-N 308.382 -0.055 30 20 DBED Cn1nc(C(=O)NC[C@H]2CN(CC#N)C[C@@H]2O)c2c1CCCC2 958407936 BFEWGHKBNFMHRO-FZMZJTMJSA-N 317.393 -0.155 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)c1nnn(C)n1 963534946 JMBOTNGEAWWQGH-MXWKQRLJSA-N 317.353 -0.425 30 20 DBED C[C@@H](C#N)C(=O)N1CCCC[C@@H]1CNC(=O)c1nnn(C)n1 964576110 OTQXBNVOEMXKOQ-VHSXEESVSA-N 305.342 -0.519 30 20 DBED C#CCCN1CCO[C@@]2(CCN(C(=O)[C@H]3COC(=O)N3)C2)C1 972365377 SIDVRELOMSJNPA-DOMZBBRYSA-N 307.350 -0.579 30 20 DBED CN1C(=O)CC[C@H]1CC(=O)N1CC[C@@]2(CN(CC#N)CCO2)C1 972492860 SQZFHUBMWNZRCV-XJKSGUPXSA-N 320.393 -0.176 30 20 DBED Cn1nc(C(=O)N2CC[C@]3(CN(CC#N)CCO3)C2)ccc1=O 972664281 KSPCWGFFQSKZPW-HNNXBMFYSA-N 317.349 -0.779 30 20 DBED C[C@@H]1CN(C)C[C@H](C(=O)N[C@H]2[C@@H]3CN(C(=O)[C@H](C)C#N)C[C@@H]32)O1 976755898 MUEJXJBJKVEBOT-HUXGKSLCSA-N 320.393 -0.562 30 20 DBED C=CCN1C[C@H]2[C@H](CNC(=O)c3cnc(O)n(C)c3=O)[C@H]2C1 978595302 KDFOPDDBGWLSPR-WLLOZRIZSA-N 304.350 -0.421 30 20 DBED N#CCN1C[C@@H]2C(CNC(=O)[C@@H]3CCCCN3C(N)=O)[C@H]2C1 978950586 OAIKENMSQXHFBD-UPJWGTAASA-N 305.382 -0.263 30 20 DBED C[C@@]12CN(CC#N)C[C@]1(C)CN(C(=O)c1nnc(O)nc1O)C2 982344261 XYWAIVIOUHXOMN-OKILXGFUSA-N 318.337 -0.410 30 20 DBED C=CCN[C@H]1C[C@@H](C)N(C(=O)Cn2ccc(=O)n(C)c2=O)C1 988926080 FFGPCVTWCMLBRN-NEPJUHHUSA-N 306.366 -0.688 30 20 DBED C[C@H](C#N)C(=O)N1CC(CNC(=O)c2ccoc2CC(N)=O)C1 1003893655 TWMACFJHEFORKL-SECBINFHSA-N 318.333 -0.345 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)C1CN(C(=O)CC(N)=O)C1 1006164086 DLJGYSYNZFVOBT-GMXABZIVSA-N 323.393 -0.194 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCCN(CC(=O)NC)C2)nn1 1008795686 RBPBKLQBKULYBG-NSHDSACASA-N 306.370 -0.596 30 20 DBED O=C1CCC[C@H](C(=O)N2CCN(C(=O)C#CC3CC3)CC2)N1 1011109865 COKOHFDGRNSNMU-CYBMUJFWSA-N 303.362 -0.261 30 20 DBED C[C@H]1[C@H](NC(=O)Cn2nccn2)CCN1C(=O)C#CC1CC1 1011748573 WAFIPLQHSWVCBI-WCQYABFASA-N 301.350 -0.203 30 20 DBED C[C@@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(Cc1nc(=O)n(C)[nH]1)C2 1017421570 GJBQAEBNYLTEKS-DCAQKATOSA-N 304.354 -0.557 30 20 DBED O=C1N[C@H](C(=O)N2CCC3(CN(C(=O)C#CC4CC4)C3)C2)CO1 1019010288 LSRRPGOCDLNDJS-LBPRGKRZSA-N 317.345 -0.431 30 20 DBED N#CCN[C@H]1C[C@@H](NC(=O)[C@H]2COCCN2CC(F)F)C1 1022494044 CMVMVAXXRCPEOX-OUAUKWLOSA-N 302.325 -0.287 30 20 DBED C#CCCN1CCCC[C@@H]1CNC(=O)[C@@H]1CCS(=O)(=O)N1 1024805917 FMIGDZMIDRYPGT-OLZOCXBDSA-N 313.423 -0.328 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)[C@@H]1CN(C)CCO1 1026274295 CXRYPWCHLJLRGP-YUELXQCFSA-N 319.405 -0.307 30 20 DBED C#CCNC1CCC(NC(=O)[C@H]2COCCN2C(C)=O)CC1 1026608142 KSLVTNLBPTWDJO-YMAMQOFZSA-N 307.394 -0.116 30 20 DBED C#CCN1CCC[C@@H]1CNC(=O)[C@H]1CC(=O)N(CCOC)C1 1027916717 RXXLNFCFGOKZBH-UONOGXRCSA-N 307.394 -0.305 30 20 DBED CO[C@H]1C[C@H](C(=O)NC[C@H]2CCN(CC#N)C2)N(C(C)=O)C1 1028716409 XOPUECINLSCCRH-HZSPNIEDSA-N 308.382 -0.416 30 20 DBED N#Cc1ccc(C(=O)NC2CN(CC(=O)Nc3ccon3)C2)[nH]1 1030222391 CBSIQCXHHLLDEO-UHFFFAOYSA-N 314.305 -0.073 30 20 DBED CC#CCN1C[C@@H]2C[C@H]1CN2C(=O)CN1CCN(C)C(=O)C1 1032483035 OXUINMYHBWWOMH-KBPBESRZSA-N 304.394 -0.931 30 20 DBED C#CCN1CCO[C@H](CNC(=O)c2cccn3nnnc23)C1 1035386668 HJTYKFMXCLGXJS-LLVKDONJSA-N 300.322 -0.812 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)[C@H]2CCc3nncn3C2)C1 1035608614 HPEMTLSTTOBGEL-STQMWFEESA-N 303.366 -0.709 30 20 DBED C[C@@H]1CN(C(=O)CN2CCN(C)C(=O)C2)CC[C@@H]1NCC#N 1036083565 YOYXQDMVPOJTPR-OLZOCXBDSA-N 307.398 -0.889 30 20 DBED C#CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1nc(OC)cc(OC)n1 1037467912 JKIOJPVMIDSTMK-GBIKHYSHSA-N 302.334 -0.071 30 20 DBED C#CCN1CC[C@@H]1CNC(=O)c1cnc2c(c1)NC(=O)CO2 1038471653 AFDYIJDFSJZKMA-LLVKDONJSA-N 300.318 -0.150 30 20 DBED C#CCCCC(=O)NC[C@@]1(O)CCN(C(=O)CNC(C)=O)C1 1039570671 YPGUHHDTSFKPCD-HNNXBMFYSA-N 309.366 -0.994 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@]1(O)CCN(C(=O)C#CC2CC2)C1 1039720473 ALYHTKILHVAZTQ-SUMWQHHRSA-N 318.373 -0.482 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)CCc2cnc[nH]2)C1 1040143877 TXQXZCALOSETMN-XHDPSFHLSA-N 319.365 -0.418 30 20 DBED C=CCCCC(=O)N1CC[C@@](O)(CNC(=O)Cc2nc[nH]n2)C1 1040966372 ASEDCRJSIDNSJW-OAHLLOKOSA-N 321.381 -0.217 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2CN(c3ncccn3)C[C@H]2O)c1 1041330965 QAYHOVORJRWGAV-ZIAGYGMSSA-N 309.329 -0.168 30 20 DBED C#CCCCCC(=O)N1CC(O)(CNC(=O)[C@H](C)NC(C)=O)C1 1041335365 IOBXBUYZFBXSSR-LBPRGKRZSA-N 323.393 -0.606 30 20 DBED CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)c2cc(C#N)c[nH]2)C1 1041626397 DVZOYUWZJNKNFZ-SNVBAGLBSA-N 320.349 -0.386 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)c2cc(OC)ncn2)C1 1041960315 MYJASDHACGHHEQ-UHFFFAOYSA-N 320.349 -0.246 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(O)CN(C(=O)CCSC)C1 1042808808 DRHPXQLRXAUUNT-CYBMUJFWSA-N 316.423 -0.244 30 20 DBED C=CCn1cc(C(=O)NCC2(O)CN(C(=O)C3(C)CC3)C2)nn1 1043105380 HDGNTEIAHBNKQV-UHFFFAOYSA-N 319.365 -0.433 30 20 DBED C[C@@H]1CN(C(=O)Cn2ccnc2)C[C@H]1N=c1cc[nH]c(C#N)n1 1043227637 HALGLBLHFFXWEI-VXGBXAGGSA-N 311.349 -0.074 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)[C@H]2CCC(=O)N(C)C2)C1 1043435385 CQQTXDWHCGXZSJ-LBPRGKRZSA-N 323.393 -0.490 30 20 DBED C=CCN[C@H]1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)[C@@H](C)C1 1044626681 SFNNTXFNPAPPAL-STQMWFEESA-N 320.393 -0.298 30 20 DBED COc1cc(C(=O)N2CC(O)(CNC(=O)[C@H](C)C#N)C2)sn1 1045559822 QCSUXWQCVJYECJ-MRVPVSSYSA-N 324.362 -0.386 30 20 DBED C#CCCN1CCC(C)(NC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 1045575128 DRHDASFVINVVOI-NSHDSACASA-N 306.366 -0.422 30 20 DBED CC[C@@H]1C[C@H]1C(=O)NCC1(O)CN(C(=O)CSCC#N)C1 1046983632 CYTUYNSDFVDMQN-GHMZBOCLSA-N 311.407 -0.021 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3nc(O)[nH]c3n2)C1 1047501437 QIHIGBUDSNPCCS-RYUDHWBXSA-N 317.349 -0.033 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cn[nH]c2)C1 1048349761 JAZWREIOJPGFDH-STQMWFEESA-N 304.350 -0.143 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CCNC2=O)C1 1048953500 GUVWQAVSPOJDQX-AVGNSLFASA-N 323.393 -0.491 30 20 DBED CC[C@H](C(=O)N(C)[C@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1O)N(C)C 1049027521 NLQUQXNOMVFFDD-NDBYEHHHSA-N 310.398 -0.484 30 20 DBED C[C@@H]1[C@@H](NC(=O)Cn2cnnn2)CCN1c1ncccc1C#N 1050061199 MKRMLZXWMJDICP-PWSUYJOCSA-N 312.337 -0.277 30 20 DBED N#CCN1CCOC[C@H]1CNC(=O)[C@@H]1CCc2nncn2C1 1051256697 ZJMVNYMMJVDMCY-VXGBXAGGSA-N 304.354 -0.819 30 20 DBED CC1(C)C[C@@H](NC(=O)C(N)=O)CCN(c2ccnc(C#N)n2)C1 1051378008 YFZJFUYWDPEPRS-JTQLQIEISA-N 316.365 -0.055 30 20 DBED CC(C)C#CC(=O)N1C[C@H](CNC(=O)c2nnn(C)n2)[C@@H](C)C1 1052530098 PEEANDBYXXOLIJ-RYUDHWBXSA-N 318.381 -0.306 30 20 DBED CN(C)C(=O)CN1CC2(C1)CN(C(=O)C#CC1CC1)CCO2 1053250250 LICBLUCBHLVRGG-UHFFFAOYSA-N 305.378 -0.599 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H]2CCC3(CN(CCO)C3)O2)c1 1053588255 SNTPZBOMWQQRBT-GFCCVEGCSA-N 304.350 -0.158 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(N)=O 1053816003 BWKXTCMAXHOCLH-FVCCEPFGSA-N 321.377 -0.604 30 20 DBED COCCOCC(=O)N1C[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2C1 1055254233 CHCFWNHIKPVTGU-GASCZTMLSA-N 320.389 -0.020 30 20 DBED C[C@H](NC(N)=O)C(=O)N1C[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2C1 1055302368 GFQLOSAKIUKUPP-YTWAJWBKSA-N 307.354 -0.880 30 20 DBED CCOCC(=O)NCCN1CCC(NC(=O)[C@H](C)C#N)CC1 1055506817 IBSBHQZTWQUAPY-GFCCVEGCSA-N 310.398 -0.121 30 20 DBED CCn1nncc1C(=O)N1CCN(c2ccnc(C#N)n2)CC1 1055799206 WZLBFUFUESYSEA-UHFFFAOYSA-N 312.337 -0.078 30 20 DBED Cc1nonc1C(=O)N1CCC[C@@](CO)(NC(=O)[C@@H](C)C#N)C1 1056095499 CGKBZUBQHNLSKF-LKFCYVNXSA-N 321.337 -0.379 30 20 DBED C[C@@H](C#N)C(=O)N[C@]1(CO)CCCN(C(=O)CCCC(N)=O)C1 1056097619 SMHCKDVLWQCNMH-XHDPSFHLSA-N 324.381 -0.729 30 20 DBED C[C@H](C#N)C(=O)N[C@@]1(CO)CCCN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1056098017 YILZFPKTXWIMMJ-WSGDXGOYSA-N 321.377 -0.492 30 20 DBED Cn1cnc(C(=O)NC2[C@H]3CN(c4ccc(C#N)nn4)C[C@H]23)c1 1056185885 JWBWBQCBEFTWRT-QWRGUYRKSA-N 309.333 -0.054 30 20 DBED CC(C)[C@@H](O)C(=O)N(CCO)CCNC(=O)C#CC(C)(C)C 1057485544 MLMXMPZTPHZVQY-CQSZACIVSA-N 312.410 -0.010 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)[C@H]1CCC(=O)NC1 1058052489 PTXBCDJCDDBKQG-ZDUSSCGKSA-N 323.393 -0.747 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)[C@H]1CC[C@H]1C(N)=O 1058294956 WFASQMGARMRRDM-NEPJUHHUSA-N 311.382 -0.599 30 20 DBED C=CC(C)(C)C(=O)NCCN(CCO)C(=O)Cn1cncn1 1058885066 AZRBDSVCJVNVBB-UHFFFAOYSA-N 309.370 -0.573 30 20 DBED C#CCCCC(=O)N1CC[C@H](CCNC(=O)Cn2ncnn2)C1 1059549825 SIDDJHXETYTVOA-ZDUSSCGKSA-N 318.381 -0.169 30 20 DBED N#Cc1nc(=N[C@@H]2CC[C@H]3CN(C(=O)c4cnn[nH]4)C[C@H]32)cc[nH]1 1060559054 JRPVZIRDABRIEU-HBNTYKKESA-N 324.348 -0.149 30 20 DBED N#CCSCC(=O)NC[C@H]1COCCN1C(=O)c1cc[nH]n1 1061317422 GZOPWFLPKMRJJE-JTQLQIEISA-N 323.378 -0.376 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCOC[C@@H]1CNC(=O)c1cn[nH]c1 1061332257 UXTFVVDNQAGPGX-SWLSCSKDSA-N 322.365 -0.306 30 20 DBED C=CCCC(=O)NC[C@@H]1COCCN1C(=O)Cn1cncn1 1061409772 DVMXIIVKSQQTIV-GFCCVEGCSA-N 307.354 -0.412 30 20 DBED CC(C)C#CC(=O)N1CCOC[C@@H]1CNC(=O)[C@H]1COC(=O)N1 1061546101 LHTRWFYYVHDKJV-NWDGAFQWSA-N 323.349 -0.902 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)CN1CCCC1 1061598994 JKKOHZYZMDFBIO-CHWSQXEVSA-N 308.382 -0.415 30 20 DBED C#CCNC(=O)CC(=O)NC1(CNC(=O)COC(C)C)CCC1 1062661451 AMBIZRLPSYNQOW-UHFFFAOYSA-N 323.393 -0.294 30 20 DBED CN(C(=O)Cn1cncn1)[C@H]1CCN(c2ccc(C#N)nn2)C1 1062932764 GNSFVORMDNPKEA-LBPRGKRZSA-N 312.337 -0.323 30 20 DBED O=C(C#CC1CC1)NCC1(NC(=O)[C@H]2CCNC2=O)CCC1 1062978921 DKRBHFQUNGRKEW-LBPRGKRZSA-N 303.362 -0.309 30 20 DBED C#CCOCCC(=O)NC1(CNC(=O)c2[nH]nnc2C)CCC1 1063883702 VGSCXSWVABCMBA-UHFFFAOYSA-N 319.365 -0.078 30 20 DBED Cc1cc(=NC[C@@H]2CCC[C@@H]2NC(=O)C(N)=O)c(C#N)c[nH]1 1064133654 KHYIHZOASZPDOR-JQWIXIFHSA-N 301.350 -0.134 30 20 DBED Cc1cc(=N[C@H]2CCN(C(=O)C(N)=O)[C@H](C)C2)c(C#N)c[nH]1 1064823006 KZVCLRQZOHOJGP-PWSUYJOCSA-N 301.350 -0.040 30 20 DBED C=CCCC(=O)N1CCO[C@H](CNC(=O)[C@]2(C)CCC(=O)N2)C1 1064957342 HQPBRNVXOUVWFH-WBMJQRKESA-N 323.393 -0.035 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CN(C(=O)CCCC(N)=O)CCO1 1065305693 RZSVKMPHMXMDHB-GHMZBOCLSA-N 310.354 -0.855 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2cnco2)CCO1 1065383985 AQDVZYQQXADECE-LLVKDONJSA-N 309.322 -0.166 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC2(C[C@@H](NC(=O)C3CC3)CO2)C1 1068641716 GWXKZDQQWCETGV-WCQYABFASA-N 306.362 -0.079 30 20 DBED C[C@H](C#N)C(=O)N1CC2(C[C@@H](NC(=O)CCN(C)C)CO2)C1 1069008419 FVVNZVHZRZPVNK-VXGBXAGGSA-N 308.382 -0.416 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2cc(OC)no2)C1 1069911862 AJEURBPTYZUMGR-MNOVXSKESA-N 316.321 -0.437 30 20 DBED C=CCN[C@@H]1CN(C(=O)[C@H]2COCCO2)C[C@@H]1n1ccnn1 1070146829 HRJMUCFGTGMYTM-FRRDWIJNSA-N 307.354 -0.779 30 20 DBED C[C@@]1(C(=O)N2C[C@H](n3ccnn3)[C@H](NCC#N)C2)CCOC1 1070302877 LEYHZSDWVFRXKB-MBNYWOFBSA-N 304.354 -0.430 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCC[C@@H](NC(=O)c2cnn(C)n2)C1 1070668080 ZYVUOTLMNDBWRK-ABAIWWIYSA-N 321.381 -0.137 30 20 DBED N#CCN1C[C@H]2C[C@@H]3CN(C(=O)c4cnsn4)C[C@@]3(C1)O2 1070765584 SQOKPMBJGGHSAT-GIPNMCIBSA-N 305.363 -0.023 30 20 DBED C=CCN1CC[C@@H](N2CCNC(=O)CCN(C(C)=O)CC2)C1=O 1070926562 INSAJAUSEMEHQP-CQSZACIVSA-N 322.409 -0.556 30 20 DBED C=C(C)CN1CCNC(=O)CCN(C(=O)c2[nH]nnc2C)CC1 1070983713 BQEUWVLILSMWDC-UHFFFAOYSA-N 320.397 -0.047 30 20 DBED C[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1NC(=O)CNC(N)=O 1071926045 RTZZVZQTDHAXSZ-KWQFWETISA-N 318.337 -0.869 30 20 DBED C#CCN1CCC2(C1)CN(C(=O)CN1CCCS1(=O)=O)C2 1072800554 UKERMAYMGVGDTD-UHFFFAOYSA-N 311.407 -0.811 30 20 DBED CN1CC[C@@H](C(=O)N2CC3(CCN(CC#N)C3)C2)S1(=O)=O 1073053219 AOWWEVMTKNNGQW-NSHDSACASA-N 312.395 -0.922 30 20 DBED CC#CCN1CCCO[C@H](CNC(=O)[C@H]2CCN(C)C2=O)C1 1073732063 GMKJJSGYTNYMFR-ZIAGYGMSSA-N 307.394 -0.305 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(C(=O)c2cnnn2C)C[C@@H]1C 1073819693 HYLNAURGBGIQAO-RYUDHWBXSA-N 321.381 -0.016 30 20 DBED N#CCN1CCO[C@@H]2CCN(C(=O)Cn3ccccc3=O)C[C@H]21 1074408667 ZSGJBEXRQQNWJV-ZIAGYGMSSA-N 316.361 -0.326 30 20 DBED CC(=O)NCC(=O)N1CCC(O)(CNC(=O)C#CC2CC2)CC1 1074430151 LKCJUADAUMDSJT-UHFFFAOYSA-N 321.377 -0.994 30 20 DBED CC(=O)NCC(=O)N1CCC(O)(CNC(=O)C#CC(C)C)CC1 1074430643 RMZNGSJDLMCORN-UHFFFAOYSA-N 323.393 -0.748 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]2CN(CCN3C(=O)CNC3=O)C[C@H]21 1075616585 XOTLQNDOGADTAW-SDDRHHMPSA-N 319.365 -0.769 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H]3CN(CCCO)C[C@H]32)nn1 1076336086 JOFZUPALOLQWIP-GXTWGEPZSA-N 305.382 -0.007 30 20 DBED C#CCO[C@H](C)C(=O)NCC[C@H](C)NC(=O)c1ccc(O)nn1 1076509020 LXLMUSYFDPRKDV-WDEREUQCSA-N 320.349 -0.155 30 20 DBED C#CCO[C@H](C)C(=O)NCC[C@H](C)NC(=O)c1cnn(C)c1N 1076510341 JMCFCBJSDPHMHU-WDEREUQCSA-N 321.381 -0.335 30 20 DBED N#CCN[C@H]1C[C@H]2CC[C@H]1N(C(=O)C1CC(=O)NC(=O)C1)C2 1079062059 IJYDTTALHFXQFZ-ADEWGFFLSA-N 304.350 -0.468 30 20 DBED C=CCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)Cn2cncn2)C1 1079981686 XURFTUYZSFMSRG-LBPRGKRZSA-N 321.381 -0.072 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CO)(NC(=O)c2ncc[nH]2)CC1 1080848582 RSUUALJZQUXOCN-SNVBAGLBSA-N 305.338 -0.347 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)C[C@H]1c1ccccc1 1081170682 ITKKTNYHMRLXDM-RRFJBIMHSA-N 312.373 -0.115 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)CNC(=O)OC)C[C@@H]1O 1081332783 KQRGRQJQUMGUKH-QWRGUYRKSA-N 313.354 -0.756 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)CSC)C[C@@H]1O 1081343702 GCTGIAVCPSPAKP-QWRGUYRKSA-N 302.396 -0.513 30 20 DBED Cc1cc(C(=O)N2C[C@H](CNC(=O)C#CC3CC3)[C@@H](O)C2)no1 1081468818 OTTSROZLQRMNHI-JSGCOSHPSA-N 317.345 -0.054 30 20 DBED CCCN(C)CC(=O)N1C[C@@H](O)[C@H](CNC(=O)C#CC2CC2)C1 1081472177 WCGHLCTUYCUQGJ-HUUCEWRRSA-N 321.421 -0.323 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@@H]2CCCN(C(N)=O)C2)[C@H](OC)C1 1081915721 SPQLZDOHSOPZTL-JHJVBQTASA-N 308.382 -0.774 30 20 DBED C=CCN1C[C@@H](NC(=O)[C@@H]2CCc3nnn(C)c3C2)[C@H](OC)C1 1082069750 YBKPNCRFUYTOQX-UXIGCNINSA-N 319.409 -0.079 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)Cc2cnccc2OC)C1 1083564665 JJMJSBHVLRHGPV-KGLIPLIRSA-N 303.362 -0.183 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CN(C[C@@H](C)OC)C[C@@H]2O)nn1 1083843750 XFIRDBWRZWPFKX-WZRBSPASSA-N 309.370 -0.726 30 20 DBED CC[C@@H]1[C@@H](NC(=O)C2CC3(C2)NC(=O)NC3=O)CCN1CC#N 1087758796 MIZCGNUHZZTQIB-FMCALUSXSA-N 319.365 -0.533 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2cnc3n2CCOC3)[C@@H](O)C1 1090337053 NZRIJPQUXODDHT-JSGCOSHPSA-N 318.377 -0.398 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2cccc(C(N)=O)c2)[C@H](O)C1 1090366379 ZOHJXCZSDGZPBL-ZIAGYGMSSA-N 301.346 -0.416 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CCN(Cc3nnn(C)n3)C[C@H]2O)C1 1090553579 OKDGXWMQXIRDQK-VXGBXAGGSA-N 320.397 -0.382 30 20 DBED CO[C@@H]1CN(c2ncnc3[nH]cnc23)C[C@H]1NC(=O)[C@H](C)C#N 1090865286 SJPPGSIITAFFSF-OPRDCNLKSA-N 315.337 -0.168 30 20 DBED N#Cc1cncc(N[C@H]2C[C@@H](CNC(=O)C3(C(N)=O)CC3)C2)n1 1091394946 CEWAMVPDWGEYTP-AOOOYVTPSA-N 314.349 -0.080 30 20 DBED COC[C@@H](OC)C(=O)NC[C@H]1C[C@@H](N=c2cc[nH]c(C#N)n2)C1 1091403256 AKIMGDPJYLNSEE-GRYCIOLGSA-N 319.365 -0.262 30 20 DBED Cc1ccc(C#N)c(N2CC[C@H](NC(=O)CC(N)=O)[C@@H](O)C2)n1 1092134686 PEZPIBPMTRQBSH-RYUDHWBXSA-N 317.349 -0.807 30 20 DBED CC(C)OCC(=O)N[C@H]1CCN(c2ccnc(C#N)n2)C[C@H]1O 1092141846 ADMIMSXUDRRPPS-NWDGAFQWSA-N 319.365 -0.171 30 20 DBED CC(C)[C@@H](O)C(=O)N[C@H]1[C@@H]2CN(c3cnc(C#N)cn3)C[C@@H]21 1093260232 IBBMQHQJGNNBFV-UVLXDEKHSA-N 301.350 -0.084 30 20 DBED CC(C)[C@@H]1N(C(=O)c2nc[nH]n2)C[C@]12C[C@@H](O)[C@H](NCC#N)C2 1093469601 IROAVOGGXZPICX-FJJYHAOUSA-N 318.381 -0.092 30 20 DBED CC(C)[C@H]1N(C(=O)c2nc[nH]n2)C[C@@]12C[C@@H](O)[C@H](NCC#N)C2 1093469603 IROAVOGGXZPICX-RTWAVKEYSA-N 318.381 -0.092 30 20 DBED CS(=O)(=O)CCCC(=O)NCCNc1nccnc1C#N 1093723169 LLPPHMRYSGNHLN-UHFFFAOYSA-N 311.367 -0.299 30 20 DBED CC[C@H]1C[C@@H](C(=O)NCCN=c2cc[nH]c(C#N)n2)CC(=O)N1 1094005651 RNTITDJOOFIOTM-MNOVXSKESA-N 316.365 -0.397 30 20 DBED N#Cc1nc(=NCCNC(=O)c2cnc3nccnc3c2)cc[nH]1 1094228411 CFIPEUSXJAPPDR-UHFFFAOYSA-N 320.316 -0.050 30 20 DBED C#CCN1CCN(C(=O)c2ncoc2C)[C@@H]2CS(=O)(=O)C[C@@H]21 1094611205 CLTOXRYATRFVCB-NWDGAFQWSA-N 323.374 -0.460 30 20 DBED C=CCN1CCN(C(=O)[C@@H]2CCOC2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094613190 GTCBTBUDTXMNGF-FRRDWIJNSA-N 314.407 -0.481 30 20 DBED CN(CCCNC(=O)[C@@H]1COCCN1C)c1cnc(C#N)cn1 1095522307 MGIHAHUWYFRFAV-ZDUSSCGKSA-N 318.381 -0.379 30 20 DBED CN(CCCNC(=O)[C@@]1(C)CNC(=O)C1)c1cnc(C#N)cn1 1095681790 LVSKSDAIRKGFPZ-OAHLLOKOSA-N 316.365 -0.183 30 20 DBED N#Cc1cnc(N[C@@H](CNC(=O)[C@H]2CNC(=O)N2)C2CC2)cn1 1096800859 PLELSRQYIIRXEF-WDEREUQCSA-N 315.337 -0.664 30 20 DBED CC(=O)N[C@H](C)C(=O)N1CC[C@H](Nc2ccc(C#N)nn2)C1 1096913285 CLDRXNCBRQSKPI-SKDRFNHKSA-N 302.338 -0.114 30 20 DBED C[C@@H](NC(=O)C(N)=O)[C@H]1CCCN(c2ccc(C#N)nn2)C1 1097548249 SIUMIZFARRCEDK-ZJUUUORDSA-N 302.338 -0.445 30 20 DBED CCS(=O)(=O)CC(=O)NC[C@H](C)N=c1cc[nH]c(C#N)n1 1097899995 GJOCMJRKZVZIOW-VIFPVBQESA-N 311.367 -0.879 30 20 DBED C[C@@H](CNC(=O)CO[C@H]1CCOC1)N=c1cc[nH]c(C#N)n1 1098075504 AJXARLYPHGNXAE-QWRGUYRKSA-N 305.338 -0.508 30 20 DBED C#CCN(CCO)C1CCN(C(=O)c2cc(=O)n(C)o2)CC1 1098354265 POXWASQFZOIAHH-UHFFFAOYSA-N 307.350 -0.490 30 20 DBED C[C@H](CCNC(=O)[C@@H]1CCNC1=O)Nc1cncc(C#N)n1 1099617221 SELKXGLWQLKEPN-KOLCDFICSA-N 302.338 -0.209 30 20 DBED C[C@@H](CCNC(=O)c1nnn(C)n1)Nc1ccc(C#N)nn1 1099619180 OUFVREFITRNWDV-QMMMGPOBSA-N 301.314 -0.508 30 20 DBED N#CCNC(=O)CN1CC[C@@H](NC(=O)CCC2CCC2)[C@@H](O)C1 1099776413 RRPYAKNORNNPRM-KGLIPLIRSA-N 322.409 -0.242 30 20 DBED CC#CCCCC(=O)N[C@@H]1CCN(CC(=O)N2CCC2)C[C@H]1O 1099960153 OVQPWNBTOLRMAD-HUUCEWRRSA-N 321.421 -0.036 30 20 DBED C#CCCN1CC[C@H](NC(=O)CCN2CCOCC2)[C@H](O)C1 1100036943 PZEPRCTVTSFKAM-LSDHHAIUSA-N 309.410 -0.717 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)c2cccnn2)[C@@H](O)C1 1100041715 NCEMGWZRKONVSI-OCCSQVGLSA-N 306.366 -0.156 30 20 DBED C[C@@H](C#N)C(=O)NCC1CC(NCCN2C(=O)CCC2=O)C1 1100198252 UNENNYMQQGJGDG-UNXYVOJBSA-N 306.366 -0.221 30 20 DBED C=CCNC(=O)CNC1CC(CNC(=O)Cc2cc[nH]n2)C1 1100215378 LMPJIZKDVCKTGU-UHFFFAOYSA-N 305.382 -0.261 30 20 DBED N#Cc1nccnc1N1CCC[C@@H]1CNC(=O)C1(C(N)=O)CC1 1100902180 GGFABBGILJUNRA-SNVBAGLBSA-N 314.349 -0.301 30 20 DBED C=CCO[C@H](C)C(=O)NCC1CC(NCC(=O)NC(N)=O)C1 1101058918 ZAXJHLYXLNFJMK-KPPDAEKUSA-N 312.370 -0.743 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CN(C(=O)[C@H]3CCOC3)C[C@]2(C)C1 1101150591 FTWUGKQLMVPEEI-VBQJREDUSA-N 319.405 -0.447 30 20 DBED CC[C@@H](CNC(=O)Cn1cncn1)Nc1nccnc1C#N 1103086068 PQIZQLOOTGRMCO-JTQLQIEISA-N 300.326 -0.053 30 20 DBED CN(CCN(C)c1ccc(C#N)nn1)C(=O)[C@@H]1COCCN1C 1105373251 NZYACZRHLWVFBO-ZDUSSCGKSA-N 318.381 -0.427 30 20 DBED CN(CCN(C)c1nccnc1C#N)C(=O)[C@@]1(C)CNC(=O)C1 1105510999 YIVPDMVPTRZCKQ-OAHLLOKOSA-N 316.365 -0.231 30 20 DBED Cc1cc(C(=O)NC[C@@H](O)CNc2cncc(C#N)n2)n[nH]1 1105727665 RDTMHFYXHCGKQM-JTQLQIEISA-N 301.310 -0.417 30 20 DBED N#Cc1cnc(NC[C@@H](O)CNC(=O)[C@H]2CCCOC2)cn1 1105741671 ILJKSELIWOOEIG-CMPLNLGQSA-N 305.338 -0.336 30 20 DBED C[C@@H](C(=O)NC[C@@H](O)CNc1ccc(C#N)nn1)n1cncn1 1105829321 QGBVSZHZJIOERZ-ONGXEEELSA-N 316.325 -0.910 30 20 DBED Cc1cc(=NC[C@H](O)CNC(=O)CCCN(C)C)c(C#N)c[nH]1 1106075367 CIQWSLKIZXGSGX-AWEZNQCLSA-N 319.409 -0.086 30 20 DBED Cc1cc(=NC/C=C\CNC(=O)[C@H]2CCNC2=O)c(C#N)c[nH]1 1107452103 PRXBKGWZSAKHPR-XQJDBVBESA-N 313.361 -0.096 30 20 DBED CC(=O)N1CCC[C@@H](C(=O)NC[C@]2(C)CN(CC#N)CCO2)C1 1108060042 URXIUNUSNGWQKZ-GDBMZVCRSA-N 322.409 -0.024 30 20 DBED COc1cc(C(=O)NC[C@@]2(C)CN(CC#N)CCO2)nn1C 1108063098 MRZQFZCACPKSII-AWEZNQCLSA-N 307.354 -0.227 30 20 DBED C[C@H](CN(C)c1ccnc(C#N)n1)NC(=O)CS(C)(=O)=O 1108836641 DBVCBBKKJONSJO-SECBINFHSA-N 311.367 -0.666 30 20 DBED CNC(=O)NCC(=O)NCC1(Nc2nc(C)cc(C#N)n2)CC1 1110380907 LMPJTOQSSVGSKO-UHFFFAOYSA-N 317.353 -0.354 30 20 DBED CCNC(=O)CC(=O)N[C@]1(C)CCN(c2cncc(C#N)n2)C1 1110744111 UOVIHCQGHWHIFN-OAHLLOKOSA-N 316.365 -0.041 30 20 DBED C[C@@]1(NC(=O)Cn2nccn2)CCN(c2ccnc(C#N)n2)C1 1110789505 AZKPEGBCKDFAMU-CQSZACIVSA-N 312.337 -0.275 30 20 DBED N#Cc1cnc(N2CC[C@@](O)(CNC(=O)c3cc[nH]n3)C2)cn1 1111031000 BCJSGGOYNKSZIF-CQSZACIVSA-N 313.321 -0.557 30 20 DBED CCCOCC(=O)NC[C@@]1(O)CCN(c2nccnc2C#N)C1 1111037789 KLVIYIIMPSIYMK-HNNXBMFYSA-N 319.365 -0.168 30 20 DBED C=C[C@@](C)(O)CC(=O)N(C)[C@H]1CN(c2nccnc2F)C[C@@H]1O 1111180257 RAYVJMDMXQECHI-ZIBATOQPSA-N 324.356 -0.049 30 20 DBED CN(C)CCC(=O)N(C)[C@H]1CN(c2ccc(C#N)cn2)C[C@@H]1O 1111197648 KARDFCBTQXHBRD-KBPBESRZSA-N 317.393 -0.087 30 20 DBED N#Cc1ccc(NCCN(CCO)C(=O)[C@@H]2CCCO2)nn1 1111413023 QRGDGHXOTIRDCC-LBPRGKRZSA-N 305.338 -0.240 30 20 DBED COC(=O)NCC(=O)N1C[C@H](C)[C@@H](Nc2cncc(C#N)n2)C1 1112297661 FQFICXKDSXQYSV-ONGXEEELSA-N 318.337 -0.037 30 20 DBED C[C@H]1CN(c2ccnc(C#N)n2)CC[C@@H]1NC(=O)CC(N)=O 1112395437 JELKJDVBFDGBRV-UWVGGRQHSA-N 302.338 -0.445 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CCC[C@@H]2OC)CC1 1113037591 NCLVGHLGCGWWKB-KBPBESRZSA-N 307.394 -0.305 30 20 DBED C[C@H](CNC(=O)[C@H]1CCNC(=O)C1)N(C)c1nccnc1C#N 1113575457 VVEFMMFIPCDQTQ-MNOVXSKESA-N 316.365 -0.185 30 20 DBED C=C(Br)CN1C[C@@H]2C(NC(=O)CNC(N)=O)[C@H]2C1 1113849232 IQWOPEYNXDTQQQ-YUMQZZPRSA-N 317.187 -0.390 30 20 DBED CCCSCC(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1113950603 LAJYCQIONKWGIW-YABSGUDNSA-N 310.423 -0.184 30 20 DBED N#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3ccnc(F)c3)[C@H]2C1 1113978980 BKKUYLFZOSYEQP-YABSGUDNSA-N 317.324 -0.480 30 20 DBED CC#CCN1C[C@H]2[C@H](NC(=O)[C@@H](Cn3cccn3)N(C)C)[C@H]2C1 1114405598 WDUDHYBCPXQRDW-QXSJWSMHSA-N 315.421 -0.117 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3cocc3C)[C@H]2C1 1114683991 YUTPLNMVJXKTPM-JYAVWHMHSA-N 301.346 -0.003 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)[C@H]3OCC[C@H]3C)[C@@H]2C1 1114851960 MJWXKXGHISXHTF-BLTAXRJOSA-N 305.378 -0.793 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)CCN(C)CC)[C@H]2C1 1115080779 DSFHMOWCHIMWSN-TTZDDIAXSA-N 320.437 -0.488 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3cccn3CC)[C@H]2C1 1115243320 MAYUVNKXBCCSIQ-VIKVFOODSA-N 314.389 -0.083 30 20 DBED CC(C)[C@@H](C#N)NC(=O)CCc1nc2c(O)nc(=O)n(C)c2[nH]1 1116625842 GOOLOATXZIVTHJ-MRVPVSSYSA-N 318.337 -0.041 30 20 DBED C#CCN(CC1CC1)C(=O)C(=O)Nc1cnn(CC(N)=O)c1 1116731700 LDYIEPZHAKCLJY-UHFFFAOYSA-N 303.322 -0.821 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCN(CC(C)C)C(=O)C1 1117391333 PDLJOUUHICDGON-UHFFFAOYSA-N 309.366 -0.921 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CCC[C@@H](CNC(N)=O)C1 1117543635 HBNWUTKCVVZZLJ-WDEREUQCSA-N 312.370 -0.790 30 20 DBED CN(C1CCN(C(=O)NCC#CCO)CC1)S(C)(=O)=O 1119616682 CMTISJVJKPFPGF-UHFFFAOYSA-N 303.384 -0.953 30 20 DBED CCCCO[C@H](C)C(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1 1121279050 NMTUAPPGXKMMMA-VXGBXAGGSA-N 321.381 -0.136 30 20 DBED C[C@@H]1[C@H](C(=O)NC[C@@H](CO)Nc2ccc(C#N)nn2)CCN1C 1122753015 UHKOLLGMHHTDBT-KGYLQXTDSA-N 318.381 -0.423 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)[C@H](C)SC 1123956315 AUSOHDRDCFBTHM-UWVGGRQHSA-N 316.427 -0.156 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)C[C@H]1CCOC1 1124179391 GMAJKEGKLHGOMS-NEPJUHHUSA-N 319.365 -0.572 30 20 DBED CCCN(C)CC(=O)N(C)C[C@@H](O)CNc1cnc(C#N)cn1 1124442735 UEWXLUJXENTIGV-ZDUSSCGKSA-N 320.397 -0.079 30 20 DBED Cc1n[nH]cc1C(=O)N(C)C[C@@H](O)CN=c1cc[nH]c(C#N)n1 1124628782 XNAZNGJTLANCNG-JTQLQIEISA-N 315.337 -0.653 30 20 DBED C[C@H](CC(N)=O)C(=O)N(C)C[C@@H](O)CNc1ccc(C#N)cn1 1124694138 MAMHXUYRIYDBJH-PWSUYJOCSA-N 319.365 -0.304 30 20 DBED C[C@H](C#N)C(=O)NCCN[C@H]1CCN(c2cnn(C)c2)C1=O 1124903243 PJRYRJKXFFRACI-PWSUYJOCSA-N 304.354 -0.609 30 20 DBED CN(C(=O)CS(C)(=O)=O)C1CC(N=c2cc[nH]c(C#N)n2)C1 1126858952 FCPKZANSBUNOBY-UHFFFAOYSA-N 323.378 -0.784 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@H](C)c1ccnn1C 1127588534 DUQYYUNPWOOQOP-NEPJUHHUSA-N 305.382 -0.633 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(C[C@@H](C)O)C[C@@H]1n1ccnn1 1128999398 WVVPVODAOQSBSU-MCIONIFRSA-N 321.381 -0.960 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@@H]1CC[C@@H]2CCCCN21 1130187503 WTNUAYVTHBTBMR-KBPBESRZSA-N 306.410 -0.542 30 20 DBED CC(C)(C)OCC(=O)N1CCC(=O)NCCN(CC#N)CC1 1131351194 CILDHQFPQHSCIS-UHFFFAOYSA-N 310.398 -0.024 30 20 DBED CC#CCN1CC[C@]2(C1)CN(C(=O)CCNC(N)=O)C[C@H](C)O2 1131698237 XIBIEHBPGKRJIR-BBRMVZONSA-N 322.409 -0.240 30 20 DBED C#CCCNC[C@H]1CN(C(=O)CN2CCOCC2=O)CC[C@H]1C 1132900179 CBHZZSKSXKJGHL-CABCVRRESA-N 321.421 -0.057 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)[C@H]1CC[C@@H](C(N)=O)C1 1133940245 VAXUSTIGZQUDCB-TUAOUCFPSA-N 310.398 -0.716 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)C12CCN(CC1)C2 1135939338 YOUISSGYZYJDOG-KBPBESRZSA-N 320.437 -0.296 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)Cn1ccnc1 1146771654 OYKNQEIFSPWBND-OLZOCXBDSA-N 305.382 -0.495 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)CNC(=O)C2CCC2)C1 1150777392 DJEZRUDDKLWNFK-CQSZACIVSA-N 307.394 -0.257 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)C[C@@H]1COC(=O)C1 1156587162 VINKGAROLGZRAH-RYUDHWBXSA-N 311.382 -0.274 30 20 DBED C=C[C@](C)(O)CC(=O)NCCCNC[C@@H](O)Cn1cccn1 1157201981 OKAMIKJCDSBTCG-HIFRSBDPSA-N 310.398 -0.333 30 20 DBED COCC1(CNC(=O)Cn2cnnc2O)CCN(CC#N)CC1 1162219255 WUHAFAAWQMFEPY-UHFFFAOYSA-N 322.369 -0.648 30 20 DBED C#CCCNCC1(CCNC(=O)Cn2ccc(O)nc2=O)CC1 1166020481 WKNRUENTVBYBDT-UHFFFAOYSA-N 318.377 -0.152 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)[C@H](C)Cc1cnc[nH]1 1167991034 FVGFNYWOYBWTTC-OLZOCXBDSA-N 319.409 -0.178 30 20 DBED COCC#CCN1CCO[C@@H]2CCN(C(=O)CCOC)C[C@H]21 1176877733 XYHNWWAGTJZRBR-HUUCEWRRSA-N 310.394 -0.026 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)[C@@H](C)n2cccn2)[C@H]1C 1178160912 SNBDTRCPHNOYLR-MJBXVCDLSA-N 317.393 -0.228 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2coc(C)n2)[C@H]1C 1178537779 FIOSIZGEHDEUMC-JQWIXIFHSA-N 304.350 -0.075 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)CCCCC(N)=O)[C@H]1C 1179876677 SMQULSOWVMMDDN-STQMWFEESA-N 324.425 -0.087 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)Cc2nc[nH]n2)[C@H]1C 1179895917 QEDRCKGDVRLDLB-QWRGUYRKSA-N 306.370 -0.772 30 20 DBED C#CCNC(=O)CNC[C@]1(C)CN(C(=O)[C@@H](C)C#N)C[C@H]1C 1180914054 OBHBQXAHFYRYTF-WOSRLPQWSA-N 304.394 -0.030 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)c2cnnc(C)c2)C1 1182188287 RFGXHAFZBFQSDK-CYBMUJFWSA-N 303.366 -0.109 30 20 DBED C#CCCNC[C@]1(C)CN(C(=O)Cn2c(O)nnc2O)C[C@H]1C 1183290857 DTMKAIBMGRSJQW-IAQYHMDHSA-N 321.381 -0.213 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 1185659093 DDPNSAWSJJHOIR-UONOGXRCSA-N 306.410 -0.732 30 20 DBED N#CCNC(=O)CN[C@@H]1CCN(C(=O)COC[C@@H]2CCCO2)C1 1188438187 JBPHDEKNHHPIKO-OLZOCXBDSA-N 324.381 -0.988 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3cccnn3)[C@@H]2C1 1189497687 FUMPYEQYOGJERB-GXTWGEPZSA-N 313.361 -0.628 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)C(F)=C(C)C)C1 1192230333 MVARLSDUHPALKB-IJLUTSLNSA-N 311.357 -0.451 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)CNC(=O)N2CCCC2)C1 1192862403 PFNPSOQYKCTFPE-CHWSQXEVSA-N 310.398 -0.471 30 20 DBED COC[C@H](C)CC(=O)N1CC[C@H](N(C)CC(=O)NCC#N)C1 1193157973 YPEXSLXPGXKHIE-OLZOCXBDSA-N 310.398 -0.169 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)C2(CC)CCC2)C1 1195459963 MCHQXZYNACUVOX-BFHYXJOUSA-N 321.421 -0.134 30 20 DBED C=C[C@@H](CC)CC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[nH]2)C[C@H]1O 1195554508 KJSIIRRJNFEFDY-QJPTWQEYSA-N 323.397 -0.628 30 20 DBED COCC#CCN1CCCN(C(=O)[C@@H]2CC(=O)N(C)C2)CC1 1196018174 MECJJMUWRRIDJE-CQSZACIVSA-N 307.394 -0.351 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)c2cnccn2)CC1 1199146046 WXDJILLYUIHIMF-UHFFFAOYSA-N 303.366 -0.027 30 20 DBED CCO[C@@H]1C[C@@H]1C(=O)N1CCC(NCC(=O)NCC#N)CC1 1199484723 CRFLIEVJNCPASS-QWHCGFSZSA-N 308.382 -0.368 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)c2cocn2)CCCO1 1200083473 KHIBFDUPAIMVQX-GFCCVEGCSA-N 320.349 -0.755 30 20 DBED C#CCOCCC(=O)N1CCCO[C@H](CN[C@H](C)C(N)=O)C1 1200478799 MAADALIDYSNYCO-CHWSQXEVSA-N 311.382 -0.893 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)[C@@H]2CCN(C)[C@@H]2C)CC1 1200637435 UJXBPRVFTZESQC-UKRRQHHQSA-N 320.437 -0.343 30 20 DBED C=CCOCCNC[C@@H]1CN(C(=O)Cc2nc[nH]n2)CCCO1 1201834632 ZXOTUENZSSTHNV-CYBMUJFWSA-N 323.397 -0.243 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@@H](NC(=O)c2cn[nH]c2)C12CCC2 1202489993 PJJKVDVTFPTWGM-QWHCGFSZSA-N 315.377 -0.210 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)C2CCOCC2)[C@H](C)C1 1205709995 JCDIKANYFVOTSN-TZMCWYRMSA-N 307.394 -0.401 30 20 DBED COCC#CCNCC1CCN(C(=O)[C@H]2CC[C@@H]2C(N)=O)CC1 1205879255 RZMCRNQIBMYPFJ-GJZGRUSLSA-N 321.421 -0.024 30 20 DBED COCC#CCN1C[C@@H](NC(=O)c2ccnc(O)c2)[C@H](OC)C1 1212115231 NKOCFHZSXMXXMX-ZIAGYGMSSA-N 319.361 -0.134 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CN(CCOCC)C[C@H]2OC)nn1 1213542773 AJZMPKLMHKYGPO-TZMCWYRMSA-N 323.397 -0.070 30 20 DBED C=CCOCCN[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1C 1214241224 CLQOOXLJRVCMSM-VXGBXAGGSA-N 304.412 -0.330 30 20 DBED C#CCCCC(=O)N1CCO[C@@H]2CN(CC(=O)NCC#C)C[C@@H]21 1217758232 JRJXTEKQFNLIRN-LSDHHAIUSA-N 317.389 -0.549 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)c2cncnc2C)C1 1219242869 RQYNWLVUQPGULW-KGLIPLIRSA-N 304.350 -0.790 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)Cn2cc(C)cn2)C1 1219272411 ITVQAQOZIUHIGI-KGLIPLIRSA-N 306.366 -0.997 30 20 DBED N#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2[C@H]3CCCC[C@H]32)C1 1219415751 FXSVAXMOPBSRHR-JYKNGBAOSA-N 320.393 -0.776 30 20 DBED Cc1nc([C@H](C)N2C[C@H](O)[C@H](NC(=O)C#CC(C)C)C2)n[nH]1 1219587789 VYZHQUASZAWUMD-UHTWSYAYSA-N 305.382 -0.005 30 20 DBED N#CCNC(=O)CN1CC[C@@H]2CN(C(=O)Cc3cc[nH]n3)[C@@H]2C1 1221458923 ZJYOIYZRVFHNBK-DGCLKSJQSA-N 316.365 -0.875 30 20 DBED COCC#CCN1CC[C@@H]2CN(C(=O)C[C@@H](C)NC(N)=O)[C@@H]2C1 1221550092 CWOKEDGDLAPDNB-MGPQQGTHSA-N 322.409 -0.384 30 20 DBED CNC(=O)C1(C(=O)N2C[C@H]3CCN(CC#CCOC)C[C@H]32)CC1 1221870695 CJSATKYOLJVRCS-ZIAGYGMSSA-N 319.405 -0.305 30 20 DBED N#CCNC(=O)CN1CCC(NC(=O)c2cc(C#N)c[nH]2)CC1 1226750515 YVDRLRRMIYZUCS-UHFFFAOYSA-N 314.349 -0.280 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)CC(N)=O 1227940463 IQEYPCBKABVBIF-JHJVBQTASA-N 322.409 -0.736 30 20 DBED C#CCCN[C@@H]1CCCC[C@H]1NC(=O)CS(=O)(=O)N(C)C 1230010078 DTXFBAKZRPEFMK-CHWSQXEVSA-N 315.439 -0.082 30 20 DBED C=CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)C1=COCCO1 1230655189 XYJIEWMSUAUCTJ-GFCCVEGCSA-N 309.366 -0.291 30 20 DBED C=CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)CCc1nc[nH]n1 1233561413 SCMGTQFKXKGDOT-GFCCVEGCSA-N 320.397 -0.428 30 20 DBED C#CCNC(=O)CC(=O)N(C)C[C@@H]1CCN1CCn1cccn1 1233811496 YJBDKRJQYBSCAH-AWEZNQCLSA-N 317.393 -0.445 30 20 DBED C#CCOCCC(=O)N(C)C[C@H]1CCN1CCn1cncn1 1234246230 KLCUEWGBJDODOB-CQSZACIVSA-N 305.382 -0.149 30 20 DBED CCOC(=O)[C@H]1CCCN(C(=O)CN(C)C(=O)C#CCOC)C1 1261676700 RNNVYKUFJNRENQ-ZDUSSCGKSA-N 324.377 -0.104 30 20 DBED CC#CCN1CC[C@H](NC(=O)CS(=O)(=O)N(CC)CC)C1 1265306222 LGBAFXIBQHHCPN-ZDUSSCGKSA-N 315.439 -0.128 30 20 DBED C[C@H](NC(=O)C(=O)Nc1cnn(CC#N)c1)C(=O)NC(C)(C)C 1319358666 LPEJNEOGFSQBAY-VIFPVBQESA-N 320.353 -0.235 30 20 DBED C#CCN1CCC(C(=O)NC[C@H](O)CN2CCCC2=O)CC1 1319573044 MSDNPHQJSFVDCP-AWEZNQCLSA-N 307.394 -0.569 30 20 DBED C#CCSCCNC(=O)C(=O)NCc1nnc2n1CCCC2 1321942765 AACNUCJPGIVHFH-UHFFFAOYSA-N 321.406 -0.287 30 20 DBED CC(C)(C)C(=O)NCCNC(=O)C(=O)N1CC[C@@](F)(C#N)C1 1322241481 NXSAUKHEEWPKHW-CQSZACIVSA-N 312.345 -0.271 30 20 DBED C[C@@H](COCC(F)(F)F)NC(=O)C(=O)N1CCO[C@@H](C#N)C1 1322548492 XOIUANNJKZZTJO-IUCAKERBSA-N 323.271 -0.179 30 20 DBED C[C@@H](NC(=O)NCC(=O)NCC#N)c1nnc2ccccn12 1323372813 CEBUKSJCSLNNLO-SECBINFHSA-N 301.310 -0.271 30 20 DBED N#CCC1CCN(C(=O)C(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)CC1 1323584055 GTGJNINYSJJLDT-RYUDHWBXSA-N 322.365 -0.712 30 20 DBED N#Cc1ncn(CC(=O)NCCCCN2CCC[C@@H]2CO)n1 1324567573 ZRAJCXIMZKGIGW-GFCCVEGCSA-N 306.370 -0.497 30 20 DBED N#CCNC(=O)CNC(=O)N[C@H]1CS(=O)(=O)c2ccccc21 1325033843 LECMFZCLCXEMBW-JTQLQIEISA-N 322.346 -0.546 30 20 DBED C=CCn1cc(CNC(=O)NC[C@@H](CO)[C@H]2CCOC2)nn1 1326679243 HWFWBANVIBQACG-RYUDHWBXSA-N 309.370 -0.092 30 20 DBED Cc1cc(NC(=O)C(=O)N[C@H]2CCN(C)C2=O)ncc1C#N 1327618905 INTOZOZOKUWADV-JTQLQIEISA-N 301.306 -0.453 30 20 DBED CCCN(C(=O)C(=O)N1CC[C@](O)(CC#N)C1)[C@@H]1CCN(C)C1 1328445335 PSWQJABYKADYQD-CZUORRHYSA-N 322.409 -0.194 30 20 DBED N#CCC1(CNC(=O)C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)CC1 1329042946 ZVCGMKINIMFZFY-SNVBAGLBSA-N 304.350 -0.324 30 20 DBED C#CCN(C(=O)C(=O)NC[C@H]1COC2(CCOCC2)O1)C(C)C 1335617141 LKOOGYTVQAQOLR-ZDUSSCGKSA-N 324.377 -0.105 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H]2CCCCN2C)C1=O 1337557970 KEZLQZWPEIODJP-NSHDSACASA-N 322.365 -0.436 30 20 DBED C#C[C@@H](C)N(C)c1nnc(CCc2nn[nH]n2)n1CCOC 1345085334 RTYPRNMCRGCYOT-SNVBAGLBSA-N 304.358 -0.319 30 20 DBED C#CCCCCNC(=O)C(=O)N1CC[C@@H](S(=O)(=O)NC)C1 1346474203 JOONNJIPOHRWOQ-LLVKDONJSA-N 315.395 -0.944 30 20 DBED C=CCN(C(=O)C(=O)N1CC[C@H](O)[C@H](CO)C1)[C@@H](C)COC 1347005285 ZTXMNWOWKLIVOR-AVGNSLFASA-N 314.382 -0.762 30 20 DBED CCOCCN1CCN(C(=O)C(=O)N2CCC[C@@H](C#N)C2)CC1 1352920652 SKQFKYBZSVJNPL-AWEZNQCLSA-N 322.409 -0.071 30 20 DBED C#CC1CCN(C(=O)c2cn(C[C@@H]3CNC(=O)O3)nn2)CC1 1352949680 MMFFHWDWHBGWNP-NSHDSACASA-N 303.322 -0.128 30 20 DBED CSc1nc(O)c(C(=O)N[C@@H]2CN(C)NC2=O)cc1C#N 1362281019 AGWIVWVWMCCSOP-MRVPVSSYSA-N 307.335 -0.544 30 20 DBED C[C@]1(CO)CCCN(C(=O)Cn2cc(C#N)c(O)nc2=O)C1 1362663907 LYYZLAYWNNPLSX-AWEZNQCLSA-N 306.322 -0.558 30 20 DBED CC[C@@H]1CN(C(=O)CCn2cc(C#N)c(O)nc2=O)C[C@H]1O 1362812708 PHKQCZUJRWBOBC-MWLCHTKSSA-N 306.322 -0.560 30 20 DBED C[C@H](C(=O)N1CCN(c2nc[nH]n2)CC1)n1cnc(C#N)n1 1362966197 AVVVMNVMZQZRJA-SECBINFHSA-N 301.314 -0.822 30 20 DBED C[C@H](C#N)C(=O)NC[C@](C)(NC(=O)Cn1cnnn1)C1CC1 1375329126 HXHJQGLYKWQQBR-RNCFNFMXSA-N 305.342 -0.766 30 20 DBED CCN(CCC#N)C(=O)CN[C@@H](C)CNC(=O)C1=COCCO1 1376694625 OBEZYZUHVGDBCT-LBPRGKRZSA-N 324.381 -0.269 30 20 DBED Cc1ncc(CNC[C@@H](O)CNC(=O)c2cc(C#N)c[nH]2)cn1 1379183651 QDLNJGSMHGNWDH-CYBMUJFWSA-N 314.349 -0.135 30 20 DBED COCC(=O)N(C)CC(=O)N[C@H]1C[C@H](NC(=O)[C@H](C)C#N)C1 1385937355 AETWEZLMGJBDQN-GMTAPVOTSA-N 310.354 -0.986 30 20 DBED C[C@H](CN(C)C(=O)c1cc(C#N)c[nH]1)NC(=O)c1cnnn1C 1395554829 NUNULRRVXXDDJR-SECBINFHSA-N 315.337 -0.095 30 20 DBED CC[C@H](CNC(=O)c1ccc2nnnn2c1)NC(=O)[C@@H](C)C#N 1399015763 BPZBQHDPRGJDOW-GXSJLCMTSA-N 315.337 -0.091 30 20 DBED C=C(Cl)CN1CCO[C@H](CNC(=O)CCNC(=O)NC)C1 1401164904 PENXAZDJDFWRLL-LLVKDONJSA-N 318.805 -0.125 30 20 DBED CO[C@@](C)(CNC(=O)Cn1cc(C#N)c(O)nc1=O)C1CC1 1412173828 NHDVEQPKHOKNNH-AWEZNQCLSA-N 306.322 -0.248 30 20 DBED N#Cc1cc(C(=O)N2CC[C@](O)(CNC(=O)C3CC3)C2)c[nH]1 1417422725 KBNXQWHNRIJPEL-HNNXBMFYSA-N 302.334 -0.010 30 20 DBED C=C(Cl)CNC[C@H](O)CNC(=O)c1cnc(OC)nc1 1420197460 MYNHWUIRJJZCLH-JTQLQIEISA-N 300.746 -0.082 30 20 DBED CC[C@H](NC(=O)Cn1cc(C#N)c(O)nc1=O)[C@@H](O)C(C)C 1434090144 HNXFGGURZTYNTF-JQWIXIFHSA-N 308.338 -0.268 30 20 DBED C[C@@H](CNC(=O)c1ccc2nnnn2c1)NC(=O)[C@H](C)C#N 1454675499 KBDLEXYAWBFGCP-BDAKNGLRSA-N 301.310 -0.482 30 20 DBED C[C@@]1(CO)C[C@@H](O)CN1Cc1cc(O)n2ncc(C#N)c2n1 1460469249 SPOQYQNGUJATHH-RISCZKNCSA-N 303.322 -0.376 30 20 DBED CCN(CCNC(=O)c1cnn(C)n1)C(=O)c1ccc(C#N)[nH]1 1496837081 ZETSMPZJHOPRRW-UHFFFAOYSA-N 315.337 -0.093 30 20 DBED CCN(CCC#N)C(=O)CN[C@@H](C)CN(C)C(=O)c1cnn[nH]1 1507095031 JCUYUXOVCBCJJP-NSHDSACASA-N 321.385 -0.383 30 20 DBED COCCC(=O)N1CCC(N(CCO)C(=O)[C@@H](C)C#N)CC1 1521256592 DYBNOMOKLCWCCT-LBPRGKRZSA-N 311.382 -0.006 30 20 DBED C[C@@H](C#N)C(=O)N1CC(CNC(=O)[C@@H](C)CS(C)(=O)=O)C1 1530795554 NBAADTVDAYWYDQ-UWVGGRQHSA-N 315.395 -0.599 30 20 DBED CCCc1cc(C(=O)NC[C@@H](O)CNC(=O)[C@H](C)C#N)n[nH]1 1533310239 ZIGCIAMBTKFMSF-KOLCDFICSA-N 307.354 -0.271 30 20 DBED N#Cc1ccc(N2CCN(C(=O)[C@@H](O)CC(=O)O)CC2)cn1 1574250007 QNGYSXSMFRKSGT-LBPRGKRZSA-N 304.306 -0.563 30 20 DBED COC[C@H]1CN(c2cnc(-c3nn[nH]n3)c(C#N)n2)C[C@@H](C)O1 1579747114 OLEIMGJWULTFGE-RKDXNWHRSA-N 316.325 -0.232 30 20 DBED C#CCNC(=O)C1CCN(c2ncncc2-c2nn[nH]n2)CC1 1588354792 ZNQWLCMYWNXKOL-UHFFFAOYSA-N 312.337 -0.378 30 20 DBED CS(=O)(=O)CCCCn1c(N)nc(C#N)c1-c1nn[nH]n1 1591674607 LDILLDWVHDWBMW-UHFFFAOYSA-N 310.343 -0.658 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC([C@H](O)C(=O)O)CC1 1592221734 MNZSOLZITPYSEX-ONGXEEELSA-N 319.383 -0.377 30 20 DBED Cn1cc([C@H](CO)Nc2cnc(C#N)c(-c3nn[nH]n3)n2)cn1 1592566252 KUWQMHKHJBGEJR-VIFPVBQESA-N 312.297 -0.593 30 20 DBED N#CCNC(=O)CNC(=O)NCc1ccc(-c2nn[nH]n2)cc1 1592678293 UCOJTOFFCUOJRK-UHFFFAOYSA-N 314.309 -0.694 30 20 DBED COC(=O)CCN(CC#N)S(=O)(=O)C1(C(=O)O)CCC1 1598855122 PNVPIGOBRNAFDP-UHFFFAOYSA-N 304.324 -0.288 30 20 DBED CO[C@@H](Cn1c(=O)c(C#N)cn(CC(=O)O)c1=O)[C@H]1CCOC1 1604480912 PWNDDJIOKKADCO-ONGXEEELSA-N 323.305 -0.982 30 20 DBED N#Cc1cn(CCC(=O)N2CC[C@@H](C(=O)O)C2)c(=O)nc1O 1605623009 OMOKFLVZYVACAO-MRVPVSSYSA-N 306.278 -0.856 30 20 DBED O=C(O)COC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1608756234 ZJVMKXOALFNOQZ-UHFFFAOYSA-N 312.303 -0.257 30 20 DBED C=C[C@@H](O)C(=O)OCC(=O)NCc1cccc(-c2nn[nH]n2)c1 1609052896 UVIVKLMMSKXUFC-LLVKDONJSA-N 317.305 -0.427 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N1CCO[C@@H](CC(=O)O)C1 1609266939 GSKWWDVFPVUIMY-UWVGGRQHSA-N 300.311 -0.994 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC(NC(=O)c2cnn(C)c2C)C1 1753370365 YCQITUDMBWUFEV-LLVKDONJSA-N 305.382 -0.167 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC(CNC(=O)c2csc(O)n2)C1 1753408093 FKQUNGGXVWKCGT-SECBINFHSA-N 322.390 -0.352 30 20 DBED C=CCNC(=O)CN[C@H]1CC[C@H](NC(=O)CC(=O)NCC)CC1 1753582612 LYKIRKYCFCLGEU-JOCQHMNTSA-N 324.425 -0.168 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H](O)CNCc1csnn1 1753915003 YUSKZHMGDFZVML-OLZOCXBDSA-N 323.422 -0.798 30 20 DBED C#CCNC(=O)CNC[C@@H](NC(=O)Cc1cncn1C)C1CC1 1754457894 UGERCBQGDIZSSU-CQSZACIVSA-N 317.393 -0.804 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(NCC(=O)N2CCCC2)CC1 1754514195 ULUBIKZOVGZVET-ZDUSSCGKSA-N 307.394 -0.115 30 20 DBED CC#CCCCC(=O)N[C@]1(C)CCN(CC(=O)NC(N)=O)C1 1754678518 SEXNWYRGQCKSCW-OAHLLOKOSA-N 308.382 -0.045 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCC1(NC[C@@H](C)O)CCOCC1 1754737434 MKZOHRGSLCOBSX-CABCVRRESA-N 323.437 -0.280 30 20 DBED C#CCNCCN(CCO)C(=O)c1cn2nccc2nc1C 1754895375 WTBQAYVIKKDCAM-UHFFFAOYSA-N 301.350 -0.305 30 20 DBED C=C(C)CN(CC)C(=O)CN1C[C@H]2[C@H](CNC(=O)C(N)=O)[C@H]2C1 1755432537 WGQDXTAXGWSVLU-XYYAHUGASA-N 322.409 -0.810 30 20 DBED C=C1CC(C)(C(=O)NC[C@H](CO)NCCCS(C)(=O)=O)C1 1755638057 MTLZUWWEBSIVHZ-GFCCVEGCSA-N 318.439 -0.156 30 20 DBED COCC#CCN(C)C[C@@H](O)CN(C)C(=O)c1c(C)cnn1C 1755805664 YUIXUNQDKUYAOD-CQSZACIVSA-N 322.409 -0.257 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H](C)CN(C)C(=O)CNC(=O)CC 1756439129 YCFRLUGNIGYVMO-XHDPSFHLSA-N 313.398 -0.197 30 20 DBED CC#CCCCC(=O)NC[C@@H](CO)NC(=O)c1cnccn1 1756543395 PCXPZBQRAZFOQX-LBPRGKRZSA-N 304.350 -0.123 30 20 DBED CN(C(=O)[C@H]1C[C@H]1C(N)=O)C1CC(NC(=O)C#CC2CC2)C1 1756750367 YZYQHOXECYKKPL-TUUUFIMRSA-N 303.362 -0.373 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H]1C[C@@H](CNC(=O)c2[nH]nnc2C)C1 1757325317 BJOIPELYIIRSCD-SDDRHHMPSA-N 319.365 -0.224 30 20 DBED C[C@H](S)C(=O)N1CC2(CCCN2C(=O)[C@@H]2CNC(=O)C2)C1 1846000968 LGEGIFLIDDVVNW-UWVGGRQHSA-N 311.407 -0.356 30 20 DBED CN(C)C(=O)NCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CCC#N 1847343395 BAKGDYIVHCOLHS-RYUDHWBXSA-N 321.381 -0.237 30 20 DBED Cn1cc(C#N)c(=O)n(C[C@H](O)COc2ccccc2)c1=O 73649557 GSABDGIUSLXLIX-LBPRGKRZSA-N 301.302 -0.141 30 20 DBED C/N=C(/NC[C@H]1CN2CCN1CC2)N(C)Cc1cnn(C)c1 178510172 AGTXQVGJGNYURQ-AWEZNQCLSA-N 305.430 -0.573 30 20 DBED CN/C(=N/Cc1ccc(C)n(C)c1=O)NCCN1CCOCC1 262812871 UTXMUTVRFOHHBB-UHFFFAOYSA-N 321.425 -0.309 30 20 DBED N#C[C@H]1COCCN1S(=O)(=O)c1cccc(-n2cnnn2)c1 266249439 XKGRKTABEAPLAH-NSHDSACASA-N 320.334 -0.425 30 20 DBED N#Cc1cc(F)c(S(=O)(=O)NCCOCC(N)=O)c(F)c1 269767462 JMHWMDGEPYBQPW-UHFFFAOYSA-N 319.289 -0.383 30 20 DBED N#Cc1ccc(S(=O)(=O)NCCN2CCNC(=O)C2)cc1 272683668 NRXRTTYOANOOGQ-UHFFFAOYSA-N 308.363 -0.732 30 20 DBED C[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1cccc(OCC#N)c1 275804512 DIPBYMWGHHPLTK-SNVBAGLBSA-N 316.317 -0.126 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@@H](C)c1nc[nH]n1 281859958 ZNZSPFCRTULTGO-VIFPVBQESA-N 302.360 -0.438 30 20 DBED C=CCCOCCNC(=O)C(=O)N1CCCN(CC)C(=O)C1 289450104 SYVJFIYWAHRVOL-UHFFFAOYSA-N 311.382 -0.224 30 20 DBED Cn1nnc2cc(/C(O)=N/CCC(=O)N3CCOCC3)cnc21 329345834 RBURVWXQCYVWAY-UHFFFAOYSA-N 318.337 -0.083 30 20 DBED C[C@@H](C/N=C(/O)N1CCn2cnnc2C1)CN1CCOCC1 329728798 CTDKZSYLOVRPQM-LBPRGKRZSA-N 308.386 -0.024 30 20 DBED CC[C@H](O)CN1CCN(/C(O)=N/C[C@@H]2COCCO2)CC1 329758427 NOFRLVUGDIWSJN-QWHCGFSZSA-N 301.387 -0.296 30 20 DBED CN1C[C@@H](N/C(O)=N/CC2(OCCO)CCOCC2)CC1=O 330413714 MMYKKIQUNSUCHU-NSHDSACASA-N 315.370 -0.721 30 20 DBED COC(=O)[C@@H]1CN(/C(O)=N/[C@@H](C)CS(C)(=O)=O)CCO1 330765841 UHACDKDXQAHJHJ-IUCAKERBSA-N 308.356 -0.793 30 20 DBED C=C(C)CN(CC)C(=O)CN1CCN(S(=O)(=O)NC)CC1 330846636 OWOJOBSBSHIKGD-UHFFFAOYSA-N 318.443 -0.507 30 20 DBED N#Cc1cccnc1N1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 336858851 CBBJTEXBOMZMQF-QWHCGFSZSA-N 322.390 -0.767 30 20 DBED CN(C)C(=O)[C@@H]1CC[C@H](CNS(=O)(=O)N(C)CCC#N)O1 341227716 KFOYGHKVCALENQ-MNOVXSKESA-N 318.399 -0.698 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)CCCN2C(=O)CNC2=O)C1=O 343750024 PQEQOZXDWSFOTL-NSHDSACASA-N 322.365 -0.436 30 20 DBED CS(=O)(=O)N1CC(CNS(=O)(=O)c2ccc(C#N)o2)C1 344677501 VVSCLNRPIFDYIH-UHFFFAOYSA-N 319.364 -0.679 30 20 DBED N#CCNC(=O)CNC(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O 345029891 PARFTIPDDIOFEW-SSDOTTSWSA-N 321.259 -0.911 30 20 DBED N#Cc1ncn(CCNC(=O)c2cccc(-n3cnnn3)c2)n1 356290585 GAPKZHUAQWYTTK-UHFFFAOYSA-N 309.293 -0.445 30 20 DBED CN1CC[C@](O)(CNC(=O)C(=O)Nc2ccc(C#N)cc2)C1 358095478 PKHHQFXEHNKZJI-HNNXBMFYSA-N 302.334 -0.320 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1CCCN(C)CC1 370016132 AIBBXJJWHAKKBR-UHFFFAOYSA-N 304.416 -0.269 30 20 DBED COC(=O)c1ccc(N2CCN3C(=O)NC(=O)[C@H]3C2)c(C#N)n1 514798317 IFXLFYLQWJFFPT-LLVKDONJSA-N 315.289 -0.520 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)NC[C@](C)(CC(=O)O)C(=O)O 521052418 VSABOOVXDFEZAL-KWQFWETISA-N 321.355 -0.522 30 20 DBED C[C@H](C#N)CNC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 543802962 KOEICWHDKDOMAC-SNVBAGLBSA-N 307.354 -0.722 30 20 DBED CN1CCN(CC(=O)NCC#N)C[C@@H]1c1nc(C2CC2)no1 551919326 ICAVHBUTHOMBJS-LLVKDONJSA-N 304.354 -0.125 30 20 DBED CN(C[C@H](O)CN=c1nc[nH]cc1C#N)c1ncncc1C#N 576222788 ISUAQKMOOJEJHF-GFCCVEGCSA-N 310.321 -0.659 30 20 DBED CCC[C@H](O)[C@@H](NS(=O)(=O)c1cncc(C#N)c1)C(=O)O 579299902 LEUSQAWXPWOGAF-WDEREUQCSA-N 313.335 -0.154 30 20 DBED CC1(C)CN(S(=O)(=O)N2CCO[C@@H](C#N)C2)[C@@H]2COC[C@@H]21 580874922 YQLKIFXCFWBJRX-SDDRHHMPSA-N 315.395 -0.188 30 20 DBED CNS(=O)(=O)c1cccc(S(=O)(=O)N2CC(C#N)C2)c1 590088947 KFFWMYXBJZESTG-UHFFFAOYSA-N 315.376 -0.261 30 20 DBED CS(=O)(=O)N1CC(CNC(=O)Nc2cccc(C#N)n2)C1 592267865 AEAVALGCRTYQQT-UHFFFAOYSA-N 309.351 -0.034 30 20 DBED Cn1c(NCC[C@]2(O)CCCOC2)c(C#N)c(=O)n(C)c1=O 593520517 ZQDKKHSYEHHIAO-CQSZACIVSA-N 308.338 -0.701 30 20 DBED COC[C@H](O)CNc1cc(C)nc(NC[C@@H](O)COC)c1C#N 596228208 ZOIKPDMPWFRARO-VXGBXAGGSA-N 324.381 0.100 30 20 DBED Cc1onc(CC(=O)N(CCN(C)C)CC(=O)N(C)C)c1C#N 598183803 AZEYZZBRFJUHRM-UHFFFAOYSA-N 321.381 -0.124 30 20 DBED Cc1ccc(C#N)cc1NC(=O)C(=O)NCCN1CC[C@@H](O)C1 600071050 UQLHPXDDANMOTC-CYBMUJFWSA-N 316.361 -0.012 30 20 DBED C=C[C@H](CO)N[C@@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1 662168017 OXXINWATOCGXMW-VHSXEESVSA-N 313.379 -0.203 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)c2ccnnc2C)CC1 677049909 ULIUBOFUFLPOFG-UHFFFAOYSA-N 303.366 -0.155 30 20 DBED C#CCCN1CCN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)CC1 730543044 DFHZZJUXUUVJRS-UHFFFAOYSA-N 314.349 -0.761 30 20 DBED C#CCN1CCN(C(=O)CCc2c(C)nc(O)nc2O)CC1 733163138 GKIMRXMARLDHFQ-UHFFFAOYSA-N 304.350 -0.094 30 20 DBED C[C@@H](Oc1ccccc1C#N)C(=O)NS(=O)(=O)CC(=O)O 736708492 SAMLLUXTBFXDCM-MRVPVSSYSA-N 312.303 -0.144 30 20 DBED C#CCNC(=O)[C@@H](C)OC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 751653652 WKSMLLSIOSPPJH-ZJUUUORDSA-N 304.306 -0.556 30 20 DBED CN(C)C[C@@](C)(O)CNc1cccc(S(N)(=O)=O)c1C#N 755028014 ZZWQLVFWYSZTCN-ZDUSSCGKSA-N 312.395 -0.070 30 20 DBED CC(=O)NCC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 757595335 SIPKNXHLIUFJKV-MNOVXSKESA-N 310.354 -0.002 30 20 DBED C#C[C@H](C)NC(=O)c1ccc2c(c1)S(=O)(=O)N=C1N=CNN12 775388216 QYAVXRVKPHNVAT-QMMMGPOBSA-N 317.330 -0.151 30 20 DBED C#C[C@H](NCC(=O)NCCCN1CCCC1=O)[C@@H]1CCCO1 775793544 MFFGEOVTULOZQB-KBPBESRZSA-N 307.394 -0.115 30 20 DBED COCCN1C[C@@H](C(=O)OCC(=O)NC2(C#N)CCC2)CC1=O 800132111 OCYVSBDFWIHMTD-NSHDSACASA-N 323.349 -0.413 30 20 DBED N#CCNC(=O)CNC(=O)NCCNc1ncccc1C#N 807551727 FAUXXLVITDUDHK-UHFFFAOYSA-N 301.310 -0.696 30 20 DBED CC(=O)C(=O)COC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 808489063 BHXZMGPAOCMUBV-UHFFFAOYSA-N 324.314 -0.574 30 20 DBED CON=CC(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 809642329 DXROUTLUIBSFKN-UHFFFAOYSA-N 319.365 -0.131 30 20 DBED C=C(Br)CNC(=O)c1cnn(C[C@H](O)CO)c1 823961473 FHRJZFVFISYFPK-VIFPVBQESA-N 304.144 -0.125 30 20 DBED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)[C@H]2CCNC2=O)C1 832161613 ASAMVSZXYYSDQA-DCAQKATOSA-N 322.365 -0.002 30 20 DBED N#C[C@@H]1CNC[C@H]1NC(=O)CCCS(=O)(=O)N1CCCC1 834495664 XLTOJAGYJQPSOG-VXGBXAGGSA-N 314.411 -0.580 30 20 DBED C#CC[C@H](NC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)C(=O)OC 837949031 AHXSEOIAERNHOO-VHSXEESVSA-N 318.395 -0.369 30 20 DBED Cc1ccc(S(=O)(=O)NCC(=O)N[C@@H]2CNC[C@H]2C#N)cc1 843459753 HVBKAZOSLPNCQQ-DGCLKSJQSA-N 322.390 -0.499 30 20 DBED CNC[C@H](C)NC(=O)C(=O)NCCNc1ncccc1C#N 851685339 RWGZFHGFPIRRBM-JTQLQIEISA-N 304.354 -0.795 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N2C[C@H]3CC[C@H]2[C@H](O)C3)CCO1 885816335 MOOMFKRMBXBWQE-WHOHXGKFSA-N 301.368 -0.699 30 20 DBED C#CC1(O)CN(C(=O)CS(=O)(=O)NC2CCC(C)CC2)C1 890521551 JODFDZUCFXFTAX-UHFFFAOYSA-N 314.407 -0.309 30 20 DBED C#CCN1CCC[C@@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 923577884 AAWYLKKQRPGDFB-LLVKDONJSA-N 314.349 -0.715 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H]2CCCO2)C1 938171544 FEBWRMJYJAUIHU-SOUVJXGZSA-N 319.405 -0.020 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)c3ncn(C)n3)C2)cn1 940275938 HYYUNOJYXJVILE-CYBMUJFWSA-N 324.344 -0.164 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](NC(=O)CN2CCCNC2=O)C1 941466886 SBMDOEQYHNEARI-GHMZBOCLSA-N 307.354 -0.722 30 20 DBED C#CCCN1CC[C@@H](NC(=O)Cn2c(O)nnc2O)[C@H](C)C1 944344553 AYLWSGVPMQGEEH-GHMZBOCLSA-N 307.354 -0.461 30 20 DBED C=C(Cl)CN1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)CC1 948822516 SSYGEQFCPVNLJM-VIFPVBQESA-N 300.746 -0.519 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H](NC(=O)c2cnn(C)c2N)C1 951868795 WOGRECHCEOWZIP-ZJUUUORDSA-N 304.354 -0.117 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)c1nnn(C)n1 952580108 YQTCIAZTUUOFHN-MXWKQRLJSA-N 317.353 -0.425 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@](C)(NC(=O)c2c[nH]c(=O)cn2)C1 957446288 DWTJTFSNAOGOQP-OTYXRUKQSA-N 303.322 -0.350 30 20 DBED CC#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cn(C)nc2OC)C1 958308915 CTWBLDFMZQUJPJ-WCQYABFASA-N 306.366 -0.526 30 20 DBED CC#CCN1C[C@@H](O)[C@H](CNC(=O)c2cc(COC)on2)C1 958458020 GWPATWXWVULJAG-BXUZGUMPSA-N 307.350 -0.133 30 20 DBED CC[C@H](C(N)=O)N1C[C@H]2C(NC(=O)c3cc(C#N)c[nH]3)[C@@H]2C1 958505083 OJQIMHMRVFMKKR-CKYFFXLPSA-N 301.350 -0.190 30 20 DBED CN(Cc1nc(=O)n(C)[nH]1)C[C@@H]1CCCN1C(=O)C#CC1CC1 960628530 WJXDBFDKTYTWTL-ZDUSSCGKSA-N 317.393 -0.055 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H]2CN(C(=O)Cn3cccn3)C[C@@H]21 960879287 ATTLESNEPZEEPF-RWMBFGLXSA-N 317.349 -0.519 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CN(C(=O)[C@H]3CCCNC3=O)C[C@H]2C1 961769552 CMVFVZWEPRIAOJ-NDBYEHHHSA-N 318.377 -0.411 30 20 DBED Cc1nc[nH]c1C(=O)NC[C@H]1COCCN1C(=O)[C@H](C)C#N 964255186 UZGIELYKMKDHIS-KOLCDFICSA-N 305.338 -0.165 30 20 DBED COCC(=O)N1CC2(C1)CN(C(=O)c1c[nH]c(C#N)c1)CCO2 965359412 AYUYKAPFOZIWFW-UHFFFAOYSA-N 318.333 -0.414 30 20 DBED CC#CCN1CC[C@H](C)[C@@H](NC(=O)CN2CCN(C)C(=O)C2)C1 967011864 YZUPZEHXJIGMEC-GJZGRUSLSA-N 320.437 -0.390 30 20 DBED CSCC(=O)N1CC(N2CCN(C(=O)[C@H](C)C#N)CC2)C1 967244737 PYCIXXFQIYGDHX-LLVKDONJSA-N 310.423 -0.136 30 20 DBED C[C@H]1CCN(CC#N)C[C@H]1NC(=O)c1cnn2c(=O)cc[nH]c12 968399890 IPYIDJGZLZVJBQ-CMPLNLGQSA-N 314.349 -0.014 30 20 DBED Cc1cc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)nc(C)n1 968876331 NZXGFNLXXFJXRU-WQHBLYJGSA-N 317.349 -0.445 30 20 DBED CC[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 969613329 GXKKMMOEALLNBP-KBXIAJHMSA-N 320.389 -0.097 30 20 DBED COCCN1C[C@H](C(=O)N[C@H](C)C2CN(CC#N)C2)CC1=O 969787592 DYWQUTRUYHIYQI-VXGBXAGGSA-N 308.382 -0.559 30 20 DBED N#CCN1CCO[C@]2(CCN(C(=O)CCN3CCCC3=O)C2)C1 972673704 KVUVPLUAYRVHLR-MRXNPFEDSA-N 320.393 -0.174 30 20 DBED CC#CCN1C[C@H](NC(=O)CN2CCOCC2=O)C(C)(C)C1 974675649 PJFLMMFGQXDOAL-ZDUSSCGKSA-N 307.394 -0.305 30 20 DBED CC#CCN1C[C@H](NC(=O)c2nnc(O)nc2O)C(C)(C)C1 974764980 GJXYZZSZBFRWHI-VIFPVBQESA-N 305.338 -0.254 30 20 DBED N#Cc1ccc(C(=O)NCC2[C@@H]3CN([C@H]4CCNC4=O)C[C@@H]23)[nH]1 978022758 QEXOUMRRTVKTDG-OBJOEFQTSA-N 313.361 -0.318 30 20 DBED C#CCN1C[C@@H]2C(CNC(=O)c3cnn(CCN(C)C)c3)[C@H]2C1 978854567 VHJZOPRCCASVGY-HZPDHXFCSA-N 315.421 -0.015 30 20 DBED C#CCN[C@@H]1CCC[C@@H]2CN(C(=O)CN3CCNC(=O)C3)C[C@H]21 992777356 MXEZHBCCLLKIKR-RBSFLKMASA-N 318.421 -0.732 30 20 DBED C#CCN[C@@H]1CCC[C@H]2CN(C(=O)C3CC(=O)NC(=O)C3)C[C@@H]21 992836640 SRRJGTGZIVKZGG-FPMFFAJLSA-N 317.389 -0.111 30 20 DBED C#CCN1CCC(C(=O)N2CCC(NCC(N)=O)CC2)CC1 997365399 ULBFYVWHQQOXDQ-UHFFFAOYSA-N 306.410 -0.603 30 20 DBED Cn1ncc(C(=O)NCC2CN(C(=O)c3cc(C#N)c[nH]3)C2)n1 1003227302 PEWKGLOBUGSKLI-UHFFFAOYSA-N 313.321 -0.483 30 20 DBED COc1cnc(C(=O)NCC2CN(C(=O)[C@@H](C)C#N)C2)nc1 1003408319 ZDDJZOOPFHWECX-VIFPVBQESA-N 303.322 -0.167 30 20 DBED C#Cc1ccc(C(=O)NCC2CN(C(=O)c3cnn(C)n3)C2)cn1 1003467706 KFBNKHOMCUCRIP-UHFFFAOYSA-N 324.344 -0.307 30 20 DBED C=CCN1CCC(N(C)C(=O)CN2CCN(C)C(=O)C2)CC1 1005629474 RWPYGJAJBJHIPS-UHFFFAOYSA-N 308.426 -0.131 30 20 DBED Cc1nc(O)nc(O)c1CC(=O)N[C@@H]1CCCN(CC#N)C1 1008964442 FXGVPTFLYHGKDU-SNVBAGLBSA-N 305.338 -0.157 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C(=O)C[C@H]2CCCC(=O)N2)CC1 1011743220 WMYHAIYGSQZNSF-VXGBXAGGSA-N 306.366 -0.124 30 20 DBED N#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(-n2cnnn2)cn1 1017767804 SQLMMIKORBZHGC-BETUJISGSA-N 324.348 -0.130 30 20 DBED Cc1cnn(CC(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2O)c1 1023152459 ZOTYEGNPRCFTPL-ZIAGYGMSSA-N 316.361 -0.707 30 20 DBED Cc1c(CC(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2O)cnn1C 1024053270 ZSQYMDGWBGQWGF-ZWKOPEQDSA-N 319.365 -0.881 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)C[C@H]3COC(=O)C3)C2)C1=O 1030216878 MXYICEFOUCJMGC-YPMHNXCESA-N 321.377 -0.473 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)CN3CCCC3)C2)C1=O 1031389227 HRFQVDPIZGIWLL-CQSZACIVSA-N 306.410 -0.331 30 20 DBED Cc1cc2[nH]c(=O)c(C(=O)NCC3CN(CC#N)C3)cn2n1 1032052892 GHDMIXSSQBHUCB-UHFFFAOYSA-N 300.322 -0.484 30 20 DBED CN(C(=O)c1c[nH]c(C#N)c1)[C@@H]1CCN(Cc2nnnn2C)C1 1033019158 GKWHBJOVAOQGHQ-GFCCVEGCSA-N 314.353 -0.244 30 20 DBED C=CCCN1CC[C@H](N(CC)C(=O)c2cn(CC(N)=O)nn2)C1 1034047695 AVFSMBPCSBJDME-LBPRGKRZSA-N 320.397 -0.124 30 20 DBED C=CCN1CCO[C@H](CNC(=O)c2ccc(C(N)=O)nc2)C1 1035621610 LZOLYRJYVZBQOD-GFCCVEGCSA-N 304.350 -0.203 30 20 DBED C=CCN[C@H]1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)C[C@@H]1C 1036052250 GGLDJAUIBNSOCU-STQMWFEESA-N 320.393 -0.440 30 20 DBED C#CCOCCC(=O)NC[C@@]1(O)CCN(C(=O)CSC)C1 1039719428 UPKILEDDUGJNKE-AWEZNQCLSA-N 314.407 -0.531 30 20 DBED C=CCCC(=O)N1CC[C@](O)(CNC(=O)c2cnnc(O)c2)C1 1040126511 ARELBQAGCCRAOI-HNNXBMFYSA-N 320.349 -0.158 30 20 DBED CCN(C)CCC(=O)N1CC[C@@](O)(CNC(=O)[C@H](C)C#N)C1 1040762161 ZRHUEHXLWQBRBL-IUODEOHRSA-N 310.398 -0.433 30 20 DBED C=CCOCC(=O)N1CC[C@@](O)(CNC(=O)c2oncc2C)C1 1040787881 LFEUGRQASHRNOE-OAHLLOKOSA-N 323.349 -0.121 30 20 DBED Cc1conc1C(=O)NC[C@@]1(O)CCN(C(=O)[C@H](C)C#N)C1 1040905594 ALZZWFWBKXWCOD-OTYXRUKQSA-N 306.322 -0.164 30 20 DBED N#Cc1cccnc1N1C[C@@H](O)[C@H](NC(=O)Cc2cc[nH]n2)C1 1040970879 SCCBGCAPZFNKBP-CHWSQXEVSA-N 312.333 -0.415 30 20 DBED Cc1cc(C#N)nc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[C@@H]3C)C2)n1 1041286808 LHQZOBRZYBTGPK-HWNAMQAFSA-N 301.350 -0.022 30 20 DBED N#Cc1ccc(C(=O)NCC2(O)CN(C(=O)[C@H]3CCOC3)C2)[nH]1 1042609448 WVOBECXBNAXEJR-JTQLQIEISA-N 318.333 -0.774 30 20 DBED O=C(C#CC1CC1)NCC1(O)CN(C(=O)COCC2CC2)C1 1042958386 MQJARSDBRCHRDS-UHFFFAOYSA-N 306.362 -0.484 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)c2cnco2)C1 1043042081 LXCZGHUJFLOUAG-SNVBAGLBSA-N 307.306 -0.984 30 20 DBED C#Cc1ccc(C(=O)N(C)C2CN([C@H](C)C(=O)NC)C2)cn1 1044205549 WXTPQYACQWYDRM-LLVKDONJSA-N 300.362 -0.046 30 20 DBED C=C[C@@H](CC)CC(=O)N1CC(O)(CNC(=O)C2(C(N)=O)CC2)C1 1045493629 IMGXGUKVIMAKOZ-NSHDSACASA-N 323.393 -0.456 30 20 DBED C#CCN1CC[C@@H](N2CCN(C(=O)[C@@H]3CCNC(=O)C3)CC2)C1 1046020193 PCCMGQGOORWVGC-HUUCEWRRSA-N 318.421 -0.636 30 20 DBED C[C@@]1(C(=O)N2CCN([C@@H]3CCN(CC#N)C3)CC2)CNC(=O)C1 1046047728 XLKYLJLCGRDAGB-CJNGLKHVSA-N 319.409 -0.745 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)CN2CCCCCCC2=O)C1 1047401595 YHZVHTZJJLFFKH-GJZGRUSLSA-N 321.421 -0.084 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1047468726 RUORJZUKSDTATE-UVPYHEFZSA-N 322.405 -0.435 30 20 DBED C=CCCOCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)COC)C1 1048027413 ODSUCMKYFXZBLG-RYUDHWBXSA-N 300.355 -0.744 30 20 DBED C=CCN1CC[C@@H](N2C[C@H]3CN(C(=O)COC)C[C@H]3C2)C1=O 1048632402 QJLFHPKSCHEWMJ-HZSPNIEDSA-N 307.394 -0.190 30 20 DBED CCCN(C)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C#CC2CC2)C1 1048824856 NNYODIRNLNJNFR-GJZGRUSLSA-N 321.421 -0.228 30 20 DBED C=CCO[C@@H](C)C(=O)N(C)[C@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1O 1049011153 OEPUBRGEDDDLMY-DCAQKATOSA-N 323.353 -0.961 30 20 DBED C#CCCN1C[C@H]2CN(C(=O)Cn3c(O)nnc3O)C[C@H]2C1 1049193110 VSSWBILBWJBJRJ-PHIMTYICSA-N 305.338 -0.897 30 20 DBED C=C[C@@](C)(CC)C(=O)N(C)[C@H]1CN(C(=O)CC(N)=O)C[C@@H]1O 1049454379 UBQPBQJIVFKZJT-PGUXBMHVSA-N 311.382 -0.506 30 20 DBED C#CCCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H]1NC(=O)NC1=O 1049524839 BPTUEAVRWGZHTK-RWMBFGLXSA-N 318.377 -0.327 30 20 DBED C#CCCN1CCOC[C@@H]1CNC(=O)[C@@H]1CCCCC(=O)N1 1051109769 OCEFTFBDANIAOX-KBPBESRZSA-N 307.394 -0.115 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2COCCN2CC(=O)NC)nc1 1051215026 RSXXNNQMFMEJGY-ZDUSSCGKSA-N 316.361 -0.761 30 20 DBED Cn1ncnc1CNC[C@H]1CN(C(=O)C#CC2CC2)CCO1 1051608821 KBULEFQLRDWRBK-ZDUSSCGKSA-N 303.366 -0.455 30 20 DBED C=CCN1CC2(C1)CN(C(=O)c1cc3n(n1)CCO3)CCO2 1053288055 BWWPUVPTANNHLT-UHFFFAOYSA-N 304.350 -0.012 30 20 DBED N#CCN1CC2(C1)CN(C(=O)c1nc[nH]c3nccc1-3)CCO2 1053329115 PBSYAONGDMXMNF-UHFFFAOYSA-N 312.333 -0.040 30 20 DBED N#CCN1CC2(C1)CN(C(=O)c1ccnc3[nH]nnc13)CCO2 1053336424 ZVNNUNQFOWZMHF-UHFFFAOYSA-N 313.321 -0.597 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)c3ccc(=O)n(C)c3)CO2)C1 1053856408 JQSLXJLGBDHXFK-AWEZNQCLSA-N 315.373 -0.018 30 20 DBED C=CCOCC(=O)N1[C@H]2CC[C@@H]1C[C@H](CNC(=O)C(N)=O)C2 1054503950 FBQWDBCERDTVDY-ZSBIGDGJSA-N 309.366 -0.440 30 20 DBED C=C(C)CN[C@H]1CN(C(=O)CCn2ncn(C)c2=O)C[C@@H]1C 1054930422 NGPPPHUYGCIPSY-STQMWFEESA-N 307.398 -0.016 30 20 DBED Cn1cc(CC(=O)N2CCN(c3ccc(C#N)nn3)CC2)cn1 1055741211 FFHDECOCPQQGGX-UHFFFAOYSA-N 311.349 -0.027 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@](CO)(NC(=O)c2cnn(C)n2)C1 1056010581 BAFYFDSOZHCVED-YGRLFVJLSA-N 320.353 -0.942 30 20 DBED C=CCCC(=O)N1CCC[C@@](CO)(NC(=O)[C@@H]2CCC(=O)N2)C1 1056030127 CSRASPJKNUAVDY-BLLLJJGKSA-N 323.393 -0.299 30 20 DBED Cn1nccc1CC(=O)N[C@H]1[C@@H]2CN(c3cnc(C#N)cn3)C[C@@H]21 1056174174 SKLVBEROGFRJEC-VIKVFOODSA-N 323.360 -0.125 30 20 DBED N#CCSCC(=O)NCCN(CCO)C(=O)[C@H]1CCOC1 1057145595 FBZZOFMDNBGLSS-NSHDSACASA-N 315.395 -0.783 30 20 DBED N#Cc1cnc(N2CCCN(C(=O)Cc3nc[nH]n3)CC2)cn1 1057175513 NBPUIEYEZVRIEJ-UHFFFAOYSA-N 312.337 -0.252 30 20 DBED C=CCCCC(=O)NCCN(CCO)C(=O)COCCOC 1057219725 OWBALFQVIKRRID-UHFFFAOYSA-N 316.398 -0.057 30 20 DBED O=C(NCCN(CCO)C(=O)C#CC1CC1)c1ccc(O)nn1 1057531420 NGXSAQOIYURKRL-UHFFFAOYSA-N 318.333 -0.854 30 20 DBED C#CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)c1c[nH]cc1C 1057584506 MHEZDBLIFDGJPZ-ZDUSSCGKSA-N 321.377 -0.088 30 20 DBED N#Cc1ccc(N[C@@H]2CCCN(C(=O)[C@H]3CCNC3=O)C2)nn1 1057724346 GEZBCSMFOOMLMF-NEPJUHHUSA-N 314.349 -0.113 30 20 DBED N#Cc1nccnc1N1CCC(NC(=O)[C@@H]2COCCO2)CC1 1057840663 MXPHVUBFUYLUIL-ZDUSSCGKSA-N 317.349 -0.151 30 20 DBED N#Cc1ccc(N2CCC(NC(=O)Cn3cnnn3)CC2)cn1 1057840691 OKYTURRKFJFZPZ-UHFFFAOYSA-N 312.337 -0.275 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)C(C)(C)NC(C)=O 1058100339 JMWSLANHHHNWQM-UHFFFAOYSA-N 313.398 -0.196 30 20 DBED C=CCCCC(=O)NCCN(CCO)C(=O)[C@H]1CCNC1=O 1058298472 DVUKJTFCRZZPSO-LBPRGKRZSA-N 311.382 -0.584 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@@H]1C[C@H]1C 1058316368 LDYINGCZBQFISU-KFWWJZLASA-N 321.421 -0.323 30 20 DBED N#Cc1ccc(N2CC[C@H](NC(=O)[C@H]3COC(=O)N3)C2)nn1 1058350581 OSXOPOFBKRXAHW-VHSXEESVSA-N 302.294 -0.848 30 20 DBED N#Cc1ccc(N2CC[C@@H](NC(=O)C[C@H]3CCNC3=O)C2)nn1 1058465117 KXJMHMVJHFNIMM-ZYHUDNBSSA-N 314.349 -0.431 30 20 DBED N#Cc1cncc(N2CC[C@@H](NC(=O)[C@@H]3CCC(=O)NC3)C2)n1 1058594069 HQODIHVPBZROMX-GHMZBOCLSA-N 314.349 -0.431 30 20 DBED N#Cc1nc(=N[C@H]2CCN(C(=O)[C@H]3CCCC(=O)N3)C2)cc[nH]1 1058988465 KNNJZKCOIPKKNW-WDEREUQCSA-N 314.349 -0.548 30 20 DBED CC(=O)N1CC(C(=O)N[C@H]2C[C@H](N=c3cc[nH]cc3C#N)C2)C1 1059198986 PGSCQCRWOATBSW-HDJSIYSDSA-N 313.361 -0.087 30 20 DBED N#Cc1nccnc1N[C@H]1C[C@H](NC(=O)[C@@H]2CCCNC2=O)C1 1059325331 DIWWJLYCOLCFCX-GMTAPVOTSA-N 314.349 -0.066 30 20 DBED CC(C)C#CC(=O)NC[C@H]1COCCN1C(=O)[C@H]1CCC(=O)N1 1061566199 HUHOHSJDBALUTR-QWHCGFSZSA-N 321.377 -0.732 30 20 DBED O=C(C#CC1CC1)NC[C@H]1COCCN1C(=O)Cn1cncn1 1061572208 QKXQOXJNJBXSOH-ZDUSSCGKSA-N 317.349 -0.965 30 20 DBED C=C(C)CCC(=O)N1CCOC[C@@H]1CNC(=O)Cn1ncnn1 1061608331 GCAZXPCMVQRISA-LBPRGKRZSA-N 322.369 -0.627 30 20 DBED C=CCCOCC(=O)NC[C@@H]1COCCN1C(=O)c1cnon1 1061668280 OXOZZILMMSHZBG-LLVKDONJSA-N 324.337 -0.381 30 20 DBED C=CC(C)(C)C(=O)NC[C@@H]1COCCN1C(=O)c1ncn(C)n1 1061752297 DAIKXJPEWNXKNA-LLVKDONJSA-N 321.381 -0.016 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)Cc1ccnn1C 1061848636 SKGHWEJJBUDIMA-YPMHNXCESA-N 319.365 -0.534 30 20 DBED Cc1nc[nH]c1C(=O)N1CCOC[C@H]1CNC(=O)[C@H](C)C#N 1061850049 AGZSOKLULCOSOF-MWLCHTKSSA-N 305.338 -0.165 30 20 DBED CN(C(=O)c1cn(C)nn1)[C@@H]1CCN(c2cnc(C#N)cn2)C1 1062925698 XKJMYDDJIRHRFI-LLVKDONJSA-N 312.337 -0.172 30 20 DBED Cn1nncc1C(=O)N[C@@H]1[C@H]2C[C@H]1N(c1cncc(C#N)n1)C2 1064250990 OMZRQLCRLQNJJV-IYYTYJHQSA-N 310.321 -0.516 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CN(C(=O)c2cn(C)cn2)CCO1 1065046434 QCFPNKAPEYGPEJ-QWRGUYRKSA-N 305.338 -0.463 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CN(c3nccn4nnnc34)C[C@@H]2C1 1065974927 SECQWNWNSJAKJP-MXWKQRLJSA-N 312.337 -0.426 30 20 DBED CNC(=O)NCCC(=O)N1CCC[C@@H](NC(=O)[C@H](C)C#N)CC1 1066473901 AZTWZJLDIBSLLG-VXGBXAGGSA-N 323.397 -0.038 30 20 DBED CO[C@@H](C)C(=O)N1CCO[C@@H](CN=c2cc[nH]c(C#N)n2)C1 1066585360 ZMRWSGITBOAABM-QWRGUYRKSA-N 305.338 -0.556 30 20 DBED CN(CCCN(C)C(=O)c1cnnn1C)C(=O)CSCC#N 1066871716 KXLRDAFTOSSVKD-UHFFFAOYSA-N 324.410 -0.008 30 20 DBED C#CCNC(=O)CC(=O)N(C)CCCN(C)C(=O)CCN(C)C 1067240198 ZFUDMIHPQDEKGK-UHFFFAOYSA-N 324.425 -0.616 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCOC2(C1)CN(C(=O)[C@@H](C)OC)C2 1068397062 XDJBHLNRDCGJER-OLZOCXBDSA-N 324.377 -0.501 30 20 DBED C=C[C@H](C)[C@@H](C)C(=O)N1CC2(CN(C(=O)C(N)=O)CCO2)C1 1068448808 UBLNSEMRETXYNL-WDEREUQCSA-N 309.366 -0.630 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1COC2(C1)CN(C(C)=O)C2 1068868374 NFTFFIVDGXZZAY-UONOGXRCSA-N 323.393 -0.037 30 20 DBED N#Cc1nccnc1N[C@@H]1CCC[C@@H]2CN(C(=O)C(N)=O)C[C@@H]21 1069319016 OKUDXANXLJCUQD-OUAUKWLOSA-N 314.349 -0.127 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CCCN(C(=O)Cn2cnnn2)C1 1070412223 QBGZLUQWTKYFDL-GFCCVEGCSA-N 302.338 -0.806 30 20 DBED CC#CCN1C[C@H]2C[C@H]3CN(C(=O)[C@H]4CCC(=O)N4)C[C@@]3(C1)O2 1070775186 WSPPLIMIBZTWLV-ZOMKSWQUSA-N 317.389 -0.410 30 20 DBED C=C(C)CN1CCNC(=O)CCN(C(=O)c2cnnn2C)CC1 1070960135 XMDKNRRSTHJWSY-UHFFFAOYSA-N 320.397 -0.345 30 20 DBED C[C@@H]1CN(C(=O)CCn2ccnn2)C[C@]2(CCN(CC#N)C2)O1 1071159675 PMBVQXSPHOJELN-UKRRQHHQSA-N 318.381 -0.116 30 20 DBED C[C@@H]1CN(C(=O)CNC(N)=O)C[C@@H]1NC(=O)C#CC(C)(C)C 1071573656 HEWXIYJUUWFDRU-MNOVXSKESA-N 308.382 -0.333 30 20 DBED C[C@H]1CN(C(=O)CSCC#N)C[C@H]1NC(=O)c1cnnn1C 1071660777 BHHWRRALUZDJCX-VHSXEESVSA-N 322.394 -0.351 30 20 DBED COC(=O)NCC(=O)N1C[C@H](C)[C@@H](NC(=O)C#CC2CC2)C1 1071714268 OFDNWZSHGSGKDE-JQWIXIFHSA-N 307.350 -0.281 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(C(=O)Cc2ncc[nH]2)C[C@@H]1C 1072602268 GDCYEWPYJTXBER-QWHCGFSZSA-N 318.377 -0.045 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1C 1072773672 UNOUXVGULSRUOV-VXGBXAGGSA-N 307.354 -0.556 30 20 DBED C=CCCOCC(=O)N[C@H]1CCN(C(=O)C(N)=O)CC1(C)C 1073419238 PFKBRAMYRIDOHH-NSHDSACASA-N 311.382 -0.192 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)[C@H]2CN(C(C)=O)CCO2)C1 1073876620 HWZCPWJPXSKPRC-HUUCEWRRSA-N 323.393 -0.926 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)[C@@H]2CCCS2(=O)=O)C1 1073896043 JLJBUUAYXFBVIJ-OLZOCXBDSA-N 314.407 -0.596 30 20 DBED N#CCN1CCO[C@@H]2CCN(C(=O)CCn3ccnn3)C[C@H]21 1074225143 BXDHNQHBYNXKOB-CHWSQXEVSA-N 304.354 -0.507 30 20 DBED Cn1nc(C(=O)N2CC[C@H]3OCCN(CC#N)[C@@H]3C2)ccc1=O 1074400885 XAPLJTUUUKAZOS-CHWSQXEVSA-N 317.349 -0.781 30 20 DBED Cc1cc(C(=O)N2CCC(O)(CNC(=O)[C@@H](C)C#N)CC2)n[nH]1 1074498260 YVPOMPWHZHDNBV-JTQLQIEISA-N 319.365 -0.039 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CCN(C(=O)Cc2cc[nH]n2)CC1 1074527932 QVFAMTGTAGSWCT-LLVKDONJSA-N 319.365 -0.418 30 20 DBED CCC(=O)N1CCC[C@@H](C(=O)N[C@@H]2CN(CC#N)C[C@H]2O)C1 1077047910 XEXNVVZIRPGSSB-JHJVBQTASA-N 308.382 -0.680 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)Cc2cn(CC)nn2)C1 1077426816 DLMVGIVYXLTAQL-VXGBXAGGSA-N 313.789 -0.246 30 20 DBED Cc1nc(CNC[C@@H]2CN(C(=O)[C@H](C)C#N)CCCO2)n[nH]1 1078357964 FVCQCRBKSVRWAV-ZYHUDNBSSA-N 306.370 -0.020 30 20 DBED Cn1ncc(CNC[C@@H]2CN(C(=O)C#CC3CC3)CCCO2)n1 1078397947 IIPGTSLGEAXBES-OAHLLOKOSA-N 317.393 -0.064 30 20 DBED C=CCCOCC(=O)N1CC(N(CC)C(=O)Cn2nccn2)C1 1079848390 VKXUJMMZXKVVNX-UHFFFAOYSA-N 321.381 -0.070 30 20 DBED C=CCOCC(=O)N1CCC(CO)(NC(=O)c2cc[nH]n2)CC1 1080735711 ISJPTXVGAXRVHX-UHFFFAOYSA-N 322.365 -0.304 30 20 DBED C[C@H](C#N)C(=O)NC1(CO)CCN(C(=O)[C@@H]2[C@H]3COC[C@H]32)CC1 1080983392 MLHJJOKSUQCATK-NDBYEHHHSA-N 321.377 -0.492 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)Cc2cnc[nH]2)C[C@@H]1O 1081338882 XVNZLHIDWYRTKH-YPMHNXCESA-N 306.366 -0.146 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2ccnnc2)C1 1081797878 RXLPZVLUSUBFNR-KGLIPLIRSA-N 316.361 -0.171 30 20 DBED C#CCN1C[C@@H](NC(=O)c2cccc(C(N)=O)n2)[C@H](OC)C1 1082389319 JCLWHYDEGTXMSS-CHWSQXEVSA-N 302.334 -0.757 30 20 DBED C=CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CN1CCOCC1=O 1083106824 XVXXPYVJRLCLHN-UONOGXRCSA-N 323.393 -0.667 30 20 DBED CN(C[C@H]1CCN1CC#N)C(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 1085593289 GIGRCPRAWHXSNK-VXGBXAGGSA-N 316.365 -0.181 30 20 DBED C=CCN1CC[C@@H](N[C@H]2C[C@@H](CNC(=O)c3cnn[nH]3)C2)C1=O 1086135512 IYXWJJLKVWIAEE-GRYCIOLGSA-N 318.381 -0.310 30 20 DBED C[C@@H]1[C@@H](NC(=O)[C@H]2CN3CC4CC3(CO2)C4)CCN1CC#N 1088757426 YQUREFXDKYRQJW-BCWAKEQVSA-N 304.394 -0.048 30 20 DBED Cc1nc(C(=O)N[C@H]2CCN(CC#N)[C@@H]2C)nn1-c1nc[nH]n1 1088782690 GDQMOCMYLOYDHL-SCZZXKLOSA-N 315.341 -0.590 30 20 DBED N#CCN1CC[C@H](NC(=O)c2cc3c([nH]2)CCOC3)[C@@H](O)C1 1090316134 MOPINBITJJCCHK-JSGCOSHPSA-N 304.350 -0.224 30 20 DBED N#Cc1cnc(NCCNC(=O)[C@@H]2CCc3nncn3C2)cn1 1093668823 UGHLMNBMYWAGDO-SNVBAGLBSA-N 312.337 -0.270 30 20 DBED CN1C[C@@H](C(=O)NCCNc2cnc(C#N)cn2)CCC1=O 1093680155 QHUOABKVJJSAJE-JTQLQIEISA-N 302.338 -0.255 30 20 DBED Cc1cc(=NCCCNC(=O)[C@@H]2COCCN2C)c(C#N)c[nH]1 1094395963 YBMMFZFOCHYRQQ-HNNXBMFYSA-N 317.393 -0.068 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)c3coc(OC)n3)CC2=O)C1 1094766307 HXCOUXGTQVXRFE-JTQLQIEISA-N 318.333 -0.669 30 20 DBED Cc1ccc(C#N)c(N(C)CCCNC(=O)[C@@H]2CNC(=O)N2)n1 1095715054 DWILYBGEAZBDJL-LBPRGKRZSA-N 316.365 -0.114 30 20 DBED C[C@@H](CNC(=O)CN1CCOCC1)Nc1nccnc1C#N 1097782523 HROHMGHNXQVOPX-NSHDSACASA-N 304.354 -0.403 30 20 DBED C[C@H](CNC(=O)[C@]1(C)CCC(=O)N1)Nc1cncc(C#N)n1 1098238464 YRAXLPPECWURJX-OTYXRUKQSA-N 302.338 -0.066 30 20 DBED C[C@@H](CCNC(=O)[C@@H]1CNC(=O)N1)Nc1ccc(C#N)cn1 1099682109 AMWSFGZQNKNYOH-ONGXEEELSA-N 302.338 -0.059 30 20 DBED CCc1n[nH]cc1C(=O)N[C@@H]1CCN(CC#CCOC)C[C@H]1O 1099898547 DHNUDZHJTXCFCP-HUUCEWRRSA-N 320.393 -0.213 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2[nH]cnc2C)[C@@H](O)C1 1100145341 JNTJVYSHMWBRDF-STQMWFEESA-N 306.366 -0.467 30 20 DBED CN1C[C@@H](C(=O)NCCN(C)c2ncc(C#N)cc2F)NC1=O 1100255375 MSHWZBHLEHTYRT-NSHDSACASA-N 320.328 -0.332 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1CC(NCc2cn(C)nn2)C1 1100322746 SXUDVWMGSCFDRX-HIFPTAJRSA-N 305.382 -0.162 30 20 DBED C#CCNC1CC(CNC(=O)CS(=O)(=O)CCOC)C1 1100452063 UGYWXZODEVCCOW-UHFFFAOYSA-N 302.396 -0.835 30 20 DBED CCN(CCNC(=O)[C@H]1CCNC1=O)c1cncc(C#N)n1 1100695974 FOGYYEJWOOKIKZ-NSHDSACASA-N 302.338 -0.573 30 20 DBED COCC#CCNC1CC(CNC(=O)C[C@@H]2CCC(=O)N2)C1 1100753729 NCHCOJMGCUKLMK-MOKVOYLWSA-N 307.394 -0.211 30 20 DBED COC[C@@H](OC)C(=O)NC[C@@H]1CCN(c2ccnc(C#N)n2)C1 1101050572 LRIUUXZTISJFEB-NWDGAFQWSA-N 319.365 -0.048 30 20 DBED CN1CCO[C@@H](C(=O)N(C)CCNc2ccc(C#N)nn2)C1 1101538346 TZRMSYCZCFCOOV-GFCCVEGCSA-N 304.354 -0.451 30 20 DBED CN(CCNc1ccc2nnnn2n1)C(=O)c1cc(C#N)c[nH]1 1101571520 CZIWPQWZELVGMJ-UHFFFAOYSA-N 311.309 -0.097 30 20 DBED N#CCSCC(=O)N[C@@H]1CC2(CN(CCO)C2)n2ccnc21 1101609903 ATPLKEDGBVGPOW-LLVKDONJSA-N 321.406 -0.296 30 20 DBED C[C@H](CNC(=O)C1(C(N)=O)CC1)CNc1ccc(C#N)nn1 1104192081 SHPIVDKHQNVELR-VIFPVBQESA-N 302.338 -0.222 30 20 DBED C[C@@H]1CN(C(=O)c2cnn[nH]2)C[C@H]1CCNCC(=O)NCC#N 1104379932 SSDLXHMHFBFMOV-GHMZBOCLSA-N 319.369 -0.868 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)c1cnc(O)n1C 1104766616 NQZWFPPRAWNCJF-SECBINFHSA-N 315.337 -0.218 30 20 DBED C#CCNCC[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)N2)C[C@H]1C 1105023392 XLJQQHDLBXKECD-UPJWGTAASA-N 313.423 -0.615 30 20 DBED COCC#CCNCc1cn(C2CN(C(=O)C3CC3)C2)nn1 1105128827 KJDKGCWHZQNOIH-UHFFFAOYSA-N 303.366 -0.189 30 20 DBED CCN(C)CCC(=O)N1CC(n2cc(CNCC#N)nn2)C1 1105357349 ASANZXVEAQDEHZ-UHFFFAOYSA-N 305.386 -0.384 30 20 DBED CN(CCN(C)c1cnc(C#N)cn1)C(=O)[C@H]1CCCNC1=O 1105485861 CUHZWAIOVYBWHE-LBPRGKRZSA-N 316.365 -0.231 30 20 DBED N#Cc1cnc(NC[C@@H](O)CNC(=O)c2cnns2)cn1 1105723046 GFDSIOKHSSGBIJ-MRVPVSSYSA-N 305.323 -0.597 30 20 DBED CCc1nc(C#N)cc(NC[C@@H](O)CNC(=O)c2cc[nH]n2)n1 1105768358 YBTBNAJETDILOL-SNVBAGLBSA-N 315.337 -0.163 30 20 DBED N#Cc1cnc(NC[C@H](O)CNC(=O)CC2(O)CCC2)cn1 1105810252 QPOIUWTZJGJAQS-NSHDSACASA-N 305.338 -0.458 30 20 DBED Cc1[nH]nc(C(=O)NC[C@H](O)CNc2cncc(C#N)n2)c1O 1105822024 HTAUZSZTTQOOPK-SECBINFHSA-N 317.309 -0.712 30 20 DBED N#Cc1nc(=NC[C@H](O)CNC(=O)C2(C3CC3)CC2)cc[nH]1 1105997195 LDMQPKAZTSTFLX-NSHDSACASA-N 301.350 -0.151 30 20 DBED C[C@@H](CCNc1cncc(C#N)n1)NC(=O)[C@H]1CN(C)C(=O)N1 1106531812 QORMNCHDXCKSLB-GXSJLCMTSA-N 317.353 -0.321 30 20 DBED N#Cc1ccc(NC/C=C/CNC(=O)c2c[nH]c(=O)cn2)nn1 1107490652 NIMJPYNYGDPCNA-OWOJBTEDSA-N 311.305 -0.170 30 20 DBED Cc1cc(=NC[C@@H](C)NC(=O)CS(C)(=O)=O)c(C#N)c[nH]1 1107638189 QGKYDBLAFNOOOF-SNVBAGLBSA-N 310.379 -0.355 30 20 DBED C[C@H](C(N)=O)N1CCO[C@](C)(CNC(=O)c2ccc(C#N)[nH]2)C1 1107876405 JJTRUGIXZRRLTA-MEBBXXQBSA-N 319.365 -0.419 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)COCc2nncn2C)C1 1108315249 VJWTUCWGJCOOLT-HNNXBMFYSA-N 321.381 -0.828 30 20 DBED C#CCCN1CC(N2C[C@H](NC(=O)CCOCC)CC2=O)C1 1108522807 XONLQRUJUPJIPG-CYBMUJFWSA-N 307.394 -0.162 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)[C@@H]1CCN(C)C1=O 1108646483 BXEBUVRYTATBPZ-UWVGGRQHSA-N 302.338 -0.835 30 20 DBED CC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CC[C@@H]1NC(=O)NC1=O 1110076991 BFMNZXRQRRGVCK-VOAKCMCISA-N 318.377 -0.281 30 20 DBED CN(CCCN(C)c1ccncc1C#N)C(=O)[C@@H]1CNC(=O)N1 1112168321 HYWMOILBJKOZFE-LBPRGKRZSA-N 316.365 -0.081 30 20 DBED C[C@@H]1CN(c2cncc(C#N)n2)CC[C@@H]1NC(=O)CC(N)=O 1112396637 YTBGIXJEDKPKEG-KOLCDFICSA-N 302.338 -0.445 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CCN(c2ccnc(C#N)n2)C[C@H]1C 1112401152 XKWBHKWTZNUVAL-GHMZBOCLSA-N 316.365 -0.185 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)[C@@H](C)N=c1cc[nH]c(C#N)n1 1112979091 RNBKQRMMAUNKAP-GHMZBOCLSA-N 314.349 -0.785 30 20 DBED C[C@H](CNC(=O)CCn1cncn1)N(C)c1ccnc(C#N)n1 1113492920 NBCWDWWGXSUQBQ-LLVKDONJSA-N 314.353 -0.029 30 20 DBED C[C@H](CNC(=O)CCCC(N)=O)N(C)c1nccnc1C#N 1113644824 KKDQXXZUXSYTCY-SNVBAGLBSA-N 304.354 -0.055 30 20 DBED C=CCOCCN1C[C@H]2C(NC(=O)[C@H]3CCNC(=O)C3)[C@@H]2C1 1114137255 UPPIJDQSBRAEON-YNEHKIRRSA-N 307.394 -0.238 30 20 DBED N#Cc1cc(C(=O)NC2[C@H]3CN(CCOCCO)C[C@H]23)c[nH]1 1114148344 FCNVRTLFJPYCNA-STQMWFEESA-N 304.350 -0.445 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CN(c2cnc(C#N)cn2)CC1(C)C 1114444654 ZIJKIXPYVITXOJ-LLVKDONJSA-N 316.365 -0.185 30 20 DBED O=C(C#CC1CC1)NCC1[C@@H]2CN(c3ccc4nnnn4n3)C[C@@H]12 1114544548 PLKQRMOKOVAUSA-STQMWFEESA-N 323.360 -0.269 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)CN3CCC[C@@H]3C)[C@H]2C1 1114832414 QZVDPUFZIABSBA-SZOQZIPDSA-N 320.437 -0.181 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3[nH]c(C)nc3C)[C@H]2C1 1114841363 UXAVSGMQNWXSJD-JYAVWHMHSA-N 317.393 -0.011 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)CCn3cccc3)[C@@H]2C1 1115015268 BMIKETUDLMICSG-ZIAGYGMSSA-N 314.389 -0.326 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)CCN(C)CCC)[C@H]2C1 1115152043 QRGNXBYIILRUFR-HALDLXJZSA-N 320.437 -0.486 30 20 DBED C=C(Br)CNC(=O)C(=O)NCCNC(=O)C1CC1 1117160775 RDAAVYHJQIRRSY-UHFFFAOYSA-N 318.171 -0.346 30 20 DBED C[C@H](O)C[C@H]1CCCN1C(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1118184915 NSWWOLJZZRHNFP-ZOWXZIJZSA-N 309.366 -0.375 30 20 DBED Cc1nc(N[C@H](CO)CNC(=O)[C@@H](C)C#N)c2cnn(C)c2n1 1121204426 HBYCLPSGQFJYLI-WPRPVWTQSA-N 317.353 -0.280 30 20 DBED CC[C@H](SC)C(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1 1121455970 SZDDTUCEMZKIRG-ZJUUUORDSA-N 309.395 -0.199 30 20 DBED CC[C@H](C(=O)NC[C@@H](CO)N=c1cc[nH]cc1C#N)N(C)C 1121812044 IPVIBKPPVDJDIM-GXTWGEPZSA-N 305.382 -0.396 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)c2cncnc2O)nc1 1122170430 DKXGPTBVFVXWFH-SNVBAGLBSA-N 314.305 -0.348 30 20 DBED C=C1CC(C)(C(=O)NC[C@H](CO)Nc2ccc3nnnn3n2)C1 1122500991 OITZNZJBURKICB-SNVBAGLBSA-N 317.353 -0.235 30 20 DBED Cc1nc(C)c(C(=O)NC[C@@H](CO)N=c2cc[nH]c(C#N)n2)[nH]1 1122595164 ZAUKSWVGEBTTOD-JTQLQIEISA-N 315.337 -0.687 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)CSCC#N 1123786967 IRFDDSIEJGWLQH-UHFFFAOYSA-N 311.411 -0.289 30 20 DBED CN(C[C@@H](O)CNc1ccc(C#N)nn1)C(=O)c1cc[nH]n1 1124047262 SLHDZWMWLTXHKU-JTQLQIEISA-N 301.310 -0.384 30 20 DBED CN(C[C@@H](O)CNc1ccc(C#N)nn1)C(=O)[C@@H]1CCOC1 1124142231 ZAGFNLRSPUVKQF-PWSUYJOCSA-N 305.338 -0.384 30 20 DBED C=C(C)C(C)(C)C(=O)N[C@@H]1CN(CC(N)=O)C[C@@H]1n1ccnn1 1129148179 ZJHRFLSCUDIMKS-NEPJUHHUSA-N 320.397 -0.293 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@@H](CC(C)C)n1ccnc1 1130001198 GGSNYIFLRDQVFW-CQSZACIVSA-N 319.409 -0.075 30 20 DBED CCn1nc(C(C)C)cc1C(=O)NCCNCC(=O)NCC#N 1130781705 RRKAROSEFKWPTO-UHFFFAOYSA-N 320.397 -0.014 30 20 DBED CC#CCN1C[C@@H](F)C[C@@H]1c1n[nH]c(CNC(=O)CC(N)=O)n1 1131146388 AJBHXXXYEWMDMZ-VHSXEESVSA-N 322.344 -0.596 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1131524559 ITQZQWHXZSJNGH-PRFQISJJSA-N 307.394 -0.194 30 20 DBED CC#CCN1CC[C@]2(C1)CN(C(=O)CCNC(N)=O)C[C@@H](C)O2 1131698238 XIBIEHBPGKRJIR-CJNGLKHVSA-N 322.409 -0.240 30 20 DBED C=CCOCCN1C[C@H](NC(=O)Cn2ncnn2)CC[C@@H]1C 1132041881 MEWCAHFDYIZIHD-QWHCGFSZSA-N 308.386 -0.155 30 20 DBED CCS(=O)(=O)NCC(=O)N[C@@H]1CC[C@@H](C)N(CC#N)C1 1132087551 PSKMDYARBQXNSV-GHMZBOCLSA-N 302.400 -0.582 30 20 DBED C[C@@H](C[C@H](C)NC(=O)c1c[nH]c(C#N)c1)NCC(=O)NC(N)=O 1134138329 GIWWUBRBROULSL-IUCAKERBSA-N 320.353 -0.432 30 20 DBED C[C@@H](C[C@@H](C)NCC(=O)NC(N)=O)NC(=O)c1ccc(C#N)[nH]1 1134157065 URTFQJJGNCSCNV-BDAKNGLRSA-N 320.353 -0.432 30 20 DBED C=CCCN[C@@H](C)C[C@@H](C)NC(=O)CN1C(=O)C(=O)N(C)C1=O 1135593641 SLKDZWAZEYIEFD-WDEREUQCSA-N 324.381 -0.144 30 20 DBED C=CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)CCNC(N)=O 1146217098 VOVGHOGCDVBONX-MNOVXSKESA-N 313.402 -0.780 30 20 DBED C#CCO[C@H](C)C(=O)N1CC2(CCN(Cc3cnn(C)n3)C2)C1 1147530122 GTVPKURPEQRXHE-CYBMUJFWSA-N 317.393 -0.112 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(Cc2cn(C)nn2)CCCO1 1149384491 UVWNFMBNFKQMNP-CQSZACIVSA-N 323.397 -0.275 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)CS(=O)(=O)CCC 1151394606 HWGPEFAACFTICK-LLVKDONJSA-N 319.427 -0.792 30 20 DBED CC#CCN(CC)[C@H](C)CNC(=O)CN1CCCS1(=O)=O 1153727470 BDBGNMXEOUUMEE-CYBMUJFWSA-N 315.439 -0.128 30 20 DBED C#CCCN(CC)[C@H](C)CNC(=O)CC[C@@H]1NC(=O)NC1=O 1156797043 ABSXAJKSETWWKA-NEPJUHHUSA-N 308.382 -0.176 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)C[C@@H]1CCC(=O)NC1 1159771180 ZFQRHACCCBKYFA-STQMWFEESA-N 324.425 -0.311 30 20 DBED N#CCNC(=O)CNCCCNC(=O)c1cccc(C(N)=O)c1 1161142221 VGFQKJKJNDLDCB-UHFFFAOYSA-N 317.349 -0.865 30 20 DBED C#CCNC(=O)CNCCCNC(=O)CCc1ccnc(C)n1 1163204473 WPZBNFXYQGZFHI-UHFFFAOYSA-N 317.393 -0.437 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)[C@@H]1CCNC(=O)CC1 1163317992 KNFOEDXQZKBENK-STQMWFEESA-N 324.425 -0.311 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1ccc2nonc2c1 1165673164 HHTFACSMOMIALE-UHFFFAOYSA-N 315.333 -0.318 30 20 DBED CO[C@H](CC(=O)NCCCNCC(=O)NCC#N)C(F)(F)F 1170353068 NWQYPWSVEJZNQW-SECBINFHSA-N 324.303 -0.311 30 20 DBED CNC(=O)CN1CCO[C@@H]2CCN(C(=O)C#CC(C)C)C[C@H]21 1176999755 ITELTHQTYYVRBC-ZIAGYGMSSA-N 307.394 -0.307 30 20 DBED C[C@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)c1ccncc1 1178034280 VATWJGVPKOQZLO-AAEUAGOBSA-N 301.350 -0.086 30 20 DBED N#CCNC[C@H]1CN(C(=O)c2cnn[nH]2)CC12CCOCC2 1186409867 HFILGUFIHADBPA-NSHDSACASA-N 304.354 -0.213 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)[C@@H](OC)C2CC2)C1 1189909077 AOOAGYFUYSNWCR-HIFRSBDPSA-N 307.394 -0.307 30 20 DBED COCC#CCN(C)[C@@H]1CCN(C(=O)C[C@H]2CCNC2=O)C1 1190634485 HDZBHLZOUFQRNY-ZIAGYGMSSA-N 307.394 -0.305 30 20 DBED Cc1nc(CN2C[C@@H](O)[C@H](NC(=O)CSCC#N)C2)co1 1191161384 BGGGSCZTMMUNEE-VXGBXAGGSA-N 310.379 -0.099 30 20 DBED C=CCOCCCC(=O)N[C@@H]1CN(CCn2cncn2)C[C@H]1O 1192054406 TUYFPISYRGPRAC-ZIAGYGMSSA-N 323.397 -0.578 30 20 DBED CC#CCN(C)[C@@H]1CCN(C(=O)[C@@H](C)NS(C)(=O)=O)C1 1192550641 JWBRWHIEEJIMIQ-VXGBXAGGSA-N 301.412 -0.520 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(CCc2ccnn2C)C[C@H]1O 1192890642 ANXRRBJJZCDNGU-BPLDGKMQSA-N 320.393 -0.838 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2nc(CC)no2)C[C@H]1O 1192899113 HPQMJTUGSFBEBH-IJLUTSLNSA-N 322.365 -0.668 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2cc(F)c[nH]2)C1 1194777661 KIRUEEFZJCKIOP-VXGBXAGGSA-N 310.329 -0.769 30 20 DBED CCc1ncoc1C(=O)N[C@@H]1CN(CC#CCOC)C[C@H]1O 1196019218 ACTCFPAGQRQWCO-CHWSQXEVSA-N 307.350 -0.338 30 20 DBED C[C@H](C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1O)c1ccco1 1196137392 IEKOBJBIFITHFU-QJPTWQEYSA-N 320.349 -0.816 30 20 DBED C#CCNC(=O)CNC[C@H]1CN(C(=O)C(F)F)CCCO1 1199623371 KFGTZEAMVNERBZ-JTQLQIEISA-N 303.309 -0.792 30 20 DBED N#CCNC(=O)CN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)c1cn[nH]c1)C2 1204003012 BHJGNTJLOSRRMX-RAIGVLPGSA-N 316.365 -0.368 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H]2CC[C@H]1[C@H](NCCCO)C2 1204224692 BIWGZKGQUHILLV-MJBXVCDLSA-N 307.394 -0.523 30 20 DBED Cc1c[nH]nc1C(=O)N1CCC(CNCC(=O)NCC#N)CC1 1205195348 ATWZQZZONHJGKN-UHFFFAOYSA-N 318.381 -0.200 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)c2nccnc2N)[C@H](C)C1 1206651481 RNYCUXOUDZNTRV-GHMZBOCLSA-N 318.381 -0.589 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2nnn(C)n2)C[C@H]1C 1206963666 KWNLNAPBWQWSPY-GRYCIOLGSA-N 306.370 -0.815 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCN(C(=O)c2cnsn2)C1 1207505652 CFOGWRBJDGHPQZ-SECBINFHSA-N 308.367 -0.628 30 20 DBED N#CCNC(=O)CN[C@H]1CCCN(C(=O)c2ccnc(O)c2)C1 1207789168 FCWGFUYIXAOYKE-LBPRGKRZSA-N 317.349 -0.379 30 20 DBED COCC#CCN[C@@H]1CCCN(C(=O)CN2CCOCC2)C1 1207828323 AUOAKIKEKKESNP-OAHLLOKOSA-N 309.410 -0.451 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@H]1CCCN(C(=O)CC(=O)NC)C1 1207901910 GBHAUVRQPZQDAR-NEPJUHHUSA-N 310.398 -0.606 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)[C@H](C)C2CCC2)[C@H](OC)C1 1212448595 UJVFWJSHTTYVSJ-BPLDGKMQSA-N 321.421 -0.013 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)COCC2CC2)C[C@H]1C 1214210943 SDRKDWJJGOZKHV-VNHYZAJKSA-N 321.421 -0.013 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)C(C)(C)C(C)C)C1 1219698682 UOKAAZTTWAIOFO-MJBXVCDLSA-N 323.437 -0.032 30 20 DBED C=C(C)CCC(=O)N[C@@H]1CN(CCN2C(=O)CCC2=O)C[C@@H]1O 1219710901 NQIISMVZMGZZOJ-OLZOCXBDSA-N 323.393 -0.347 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)COCc2ncc(C)o2)C1 1219985834 FXIWBCIIAAVNAM-OLZOCXBDSA-N 307.350 -0.316 30 20 DBED C=CCCCC(=O)N[C@@H]1CN([C@H](C)c2nnnn2C)C[C@@H]1O 1220246584 YOKJVXWRGFTZEF-UTUOFQBUSA-N 308.386 -0.211 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C(C)(C)CC=C)C1 1220434249 AUEPDVNHEREXFB-OLZOCXBDSA-N 307.394 -0.501 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)CCC(=O)NCCCOC)C1 1220730834 ROJXHVUKLATCKT-OLZOCXBDSA-N 313.398 -0.733 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2cccnc2OCCOC)C1 1221079401 XWJDXRSRLZBVTK-KGLIPLIRSA-N 319.361 -0.485 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)[C@@H](NC(=O)COC)C(C)C)[C@@H]2C1 1221854890 KYAJRUJILKFODN-FMKPAKJESA-N 321.421 -0.061 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)C#CC2CC2)CC1 1223130665 OOVGJPMVSPAXNZ-UHFFFAOYSA-N 301.390 -0.023 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C[C@@H]1CCN1Cc1nnn(C)n1 1234215160 JFUCMXRXLOFAMI-RYUDHWBXSA-N 306.370 -0.719 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)CCCNC(=O)CCC(=O)NCC 1235625807 IIIPVQPFPQDAPX-CYBMUJFWSA-N 324.425 -0.521 30 20 DBED C=CCN1CCC(NC(=O)C(=O)N2CC[C@](O)(CC#N)C2)CC1 1261467371 GYXSYIOWZZFKLZ-MRXNPFEDSA-N 320.393 -0.370 30 20 DBED C=C(C)COCCNC(=O)C(=O)NCCN(C)C(=O)OC 1261712390 QMQJYGQZOGIYRO-UHFFFAOYSA-N 301.343 -0.490 30 20 DBED CO[C@@H]1CCN(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1 1319016595 QFJLCLRQGFKDFO-JBEXSADBSA-N 308.338 -0.057 30 20 DBED C[C@@H](OC(=O)CCN/C(O)=C1/N=CC=CC1=O)C(=O)N(C)C 1319053990 OKZOQRLRQCPURY-MMZVIXLHSA-N 309.322 -0.077 30 20 DBED C=CC[C@@H](NC(=O)NCCCN(CC)S(C)(=O)=O)C(=O)O 1321110972 OIMOYEBZSWKUKA-SNVBAGLBSA-N 321.399 -0.014 30 20 DBED C=C(CC)CNC(=O)C(=O)NCCCN(CC)S(C)(=O)=O 1325512824 ZSDPFEOOPOSSKV-UHFFFAOYSA-N 319.427 -0.143 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCc3n[nH]cc3C2)CCO1 1325632668 MRTDDUNWDPFSJG-GHMZBOCLSA-N 303.322 -0.866 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCCO[C@H](C)C1 1325695870 HCGZPVQYZAOBMK-LLVKDONJSA-N 318.395 -0.659 30 20 DBED C=CCn1cc(C(=O)Nc2ncn(CC(=O)N(C)C)n2)nn1 1326629216 KJKDPJCEDBJFCH-UHFFFAOYSA-N 304.314 -0.604 30 20 DBED COC1(CO)CCN(C(=O)C(=O)Nc2cccc(C#N)n2)CC1 1326728545 DKVFXQNUOALISH-UHFFFAOYSA-N 318.333 -0.108 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCC([C@@H]2CCCNC2)CC1 1328355024 YERTZYSGECPZBK-OAHLLOKOSA-N 321.421 -0.009 30 20 DBED C#CC1CCN(C(=O)C(=O)N[C@@H]2CCC[C@@H]2C(=O)NC)CC1 1329354132 ZVUMGBSNCGWJFN-QWHCGFSZSA-N 305.378 -0.111 30 20 DBED CN(CC(C)(C)S(C)(=O)=O)C(=O)NCC(=O)NCC#N 1329995668 MVJBPUSTZPFKAP-UHFFFAOYSA-N 304.372 -0.909 30 20 DBED N#CCCCNC(=O)C(=O)N[C@H]1CCN(C2CCOCC2)C1=O 1331039093 AUELNWCOQFJENU-LBPRGKRZSA-N 322.365 -0.698 30 20 DBED C[S@@](=O)CCNC(=O)C(=O)NCCc1ccc(C#N)cc1 1334072384 ZINBPGSRFPLSAI-OAQYLSRUSA-N 307.375 -0.288 30 20 DBED C#C[C@H](NCC(=O)NC1CCN(C(C)=O)CC1)[C@@H]1CCCO1 1338321052 YMGHHUJACRTPJO-GJZGRUSLSA-N 307.394 -0.116 30 20 DBED C#CCOCCNC(=O)C(=O)NCCc1cn2c(n1)CCCC2 1340612683 PDWMCJBCYTZDHR-UHFFFAOYSA-N 318.377 -0.356 30 20 DBED C[C@@H](C#N)CN(C)C(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1348615846 FBBWGZKTLNQLRZ-AAEUAGOBSA-N 303.366 -0.197 30 20 DBED N#Cc1cn(CCC(=O)N2CCC(CCO)CC2)c(=O)nc1O 1362598526 GPYPYCHVFNKSCK-UHFFFAOYSA-N 320.349 -0.168 30 20 DBED N#Cc1cnn2c(O)cc(CN3CC[C@H](NC(N)=O)C3)nc12 1364382967 SNXDIBOIOIWVEG-VIFPVBQESA-N 301.310 -0.451 30 20 DBED C=C(Cl)CNC[C@@H](O)CNC(=O)c1nc2nccc(C)n2n1 1374684103 WAGVHSQKYOLHNV-SNVBAGLBSA-N 324.772 -0.134 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(Cc2noc3c2COCC3)C1 1376144793 WMYVWBZBVZMTTH-JTQLQIEISA-N 320.349 -0.430 30 20 DBED C=C(Cl)CNC[C@H](C)CNC(=O)CN1CCNC(=O)C1 1378584539 FLDBSPSRHQMOTA-JTQLQIEISA-N 302.806 -0.487 30 20 DBED C=C(Cl)CNC[C@H](O)CN(C)C(=O)CCS(C)(=O)=O 1379813202 ZSZHUOPXXMTKKY-JTQLQIEISA-N 312.819 -0.418 30 20 DBED C=C(Cl)CNC[C@@H](O)CN(C)C(=O)c1cc(=O)n(C)cn1 1382410573 CASLVIOGRKHDGG-SNVBAGLBSA-N 314.773 -0.445 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCNC(=O)[C@H]1CCc2nnc(O)n2C1 1387839772 RKVUCCSIZYMWLV-UWVGGRQHSA-N 320.353 -0.720 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)C2(NC(N)=O)CC2)CCCC1 1388214479 PGIFSGZGLCCSAN-JTQLQIEISA-N 321.381 -0.108 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)COCc2ccnn2C)CC1 1389965318 WYJWIURPQMBQRP-NSHDSACASA-N 319.365 -0.139 30 20 DBED C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)N(C)C(=O)c1cn(C)nn1 1404342336 QGQINUADGVPUKB-VIFPVBQESA-N 315.337 -0.095 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]1CNC(=O)CCN1CCOCC1 1410615864 OMQBHZIWJMVICN-STQMWFEESA-N 308.382 -0.415 30 20 DBED CC1(C)CCC[C@@]1(O)CNC(=O)Cn1cc(C#N)c(O)nc1=O 1412172969 SAFNDVOXGMUGOQ-OAHLLOKOSA-N 320.349 -0.122 30 20 DBED C[C@@H](CNC(=O)c1ccn2nnnc2c1)NC(=O)[C@H](C)C#N 1415230660 TWKUGAGTGHAYQV-BDAKNGLRSA-N 301.310 -0.482 30 20 DBED COc1c(O)nc(O)nc1C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1418948947 USIXBCVZBFPGKY-VIFPVBQESA-N 319.321 -0.291 30 20 DBED CCCC[C@@H](CNC(=O)[C@H](C)C#N)NC(=O)Cn1ncnn1 1424446203 NNMXVSJAYYSFMO-MNOVXSKESA-N 307.358 -0.376 30 20 DBED N#Cc1cn(CCC(=O)N2CC([C@@H]3CCOC3)C2)c(=O)nc1O 1433969064 PDCSRRMIOYHUJO-SNVBAGLBSA-N 318.333 -0.294 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)N2CC[C@@H](O)[C@H](CO)C2)cc1 1434098981 LVMBECWXNCEAKM-UONOGXRCSA-N 317.345 -0.510 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CCN(C(=O)CCS(C)(=O)=O)C1 1454867580 GFAZFDMMCCBWEX-GHMZBOCLSA-N 315.395 -0.455 30 20 DBED COC[C@H](OC)C(=O)N1CC[C@@H]1CNC(=O)c1cc(C#N)c[nH]1 1458682766 ZJTZQJQHTHFEHZ-YPMHNXCESA-N 320.349 -0.122 30 20 DBED N#CCOc1ccc(CN2C[C@H](C(N)=O)[C@@H](C(N)=O)C2)cc1 1473642306 JBSXKNYFELFKDS-STQMWFEESA-N 302.334 -0.392 30 20 DBED COCC#CCN1CCC[C@@H](NC(=O)[C@@]2(C)CCNC2=O)C1 1490449304 YKJMTSYKCISVQW-CJNGLKHVSA-N 307.394 -0.257 30 20 DBED C[C@@H](O)C(=O)N1CCN(C(=O)C2CC3(CNC[C@H]3C#N)C2)CC1 1576267645 YJIFBYJPXCDLDY-ISGSLZAZSA-N 320.393 -0.823 30 20 DBED C[C@H]1[C@H](NC(=O)NCCn2cnc(C#N)n2)C[C@H]2CC[C@H]1N2 1576579180 LWVMAFSCXDPMHB-DDHJBXDOSA-N 303.370 -0.022 30 20 DBED COC(=O)N1CC(C)(Nc2cnc(-c3nn[nH]n3)c(C#N)n2)C1 1579453322 RELFHGCAZQXLBH-UHFFFAOYSA-N 315.297 -0.219 30 20 DBED C#C[C@@H](CO)NS(=O)(=O)c1ccc(F)c(-c2nn[nH]n2)c1 1588327965 VUANHHGHGGYVRJ-ZETCQYMHSA-N 311.298 -0.722 30 20 DBED C=CC[C@@H](CO)CNc1nc(O)n(C)c(=O)c1-c1nn[nH]n1 1588546021 UZACGFUSPFDUCI-SSDOTTSWSA-N 307.314 -0.738 30 20 DBED CN(C)CC#CCNC(=O)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 1591012503 RDBGALUVEYRURK-ZDUSSCGKSA-N 314.349 -0.419 30 20 DBED N#Cc1nc(NC(=O)[C@@H]2CCc3nc[nH]c3C2)[nH]c1-c1nn[nH]n1 1592683649 VMXRORCQMVVWDO-ZCFIWIBFSA-N 324.308 -0.072 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N[C@@H](CC(=O)O)C2CC2)CCO1 1601063148 ONPRWMNHLZTXQC-ZJUUUORDSA-N 303.340 -0.702 30 20 DBED N#Cc1c[nH]c(C(=O)NCCN=c2cc[nH]c(C(=O)O)n2)c1 1601084051 FPUFDDPARZZLIH-UHFFFAOYSA-N 300.278 -0.362 30 20 DBED O=C(O)CNC(=O)CNC(=O)C(=O)/C=C\c1ccc(F)cc1 1602065392 BDNXLXVTLSKZOE-UTCJRWHESA-N 308.265 -0.275 30 20 DBED C#CCN1CCC[C@@H](NS(=O)(=O)CC2(C(=O)O)CC2)C1 1602720518 WQUAJJDBXPGJMW-LLVKDONJSA-N 300.380 -0.132 30 20 DBED O=C(COc1cccc(-c2nn[nH]n2)c1)N[C@H]1CCN(O)C1=O 1606575329 ISJGWLACRJIHAI-JTQLQIEISA-N 318.293 -0.648 30 20 DBED CC[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2CC(=O)NCC#N)N(C)C 1732149146 PCTPHKBYXQLJIJ-RWMBFGLXSA-N 307.398 -0.749 30 20 DBED CCn1ccnc1C(=O)N[C@H]1C[C@@H](NCC(=O)NCC#N)C1 1752723266 LDCBTKMWOZMNGB-PHIMTYICSA-N 304.354 -0.607 30 20 DBED CCN(CCNC(=O)CC1OCCCO1)CC(=O)NCC#N 1753080698 FMALLLRUZZSUOS-UHFFFAOYSA-N 312.370 -0.783 30 20 DBED C#CCNC(=O)CN(CCC)CCNC(=O)c1cnn(C)c1C 1753142188 SREGEGRYKKOILK-UHFFFAOYSA-N 319.409 -0.080 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)NCCN(C)C(=O)c1ncc[nH]1 1753186396 BXJTZMYNIZEJDJ-SNVBAGLBSA-N 322.369 -0.528 30 20 DBED C=CCCCN1CC(CNC(=O)CC[C@@H]2NC(=O)NC2=O)C1 1753415374 YIQJDIOOFQKBCD-LBPRGKRZSA-N 308.382 -0.011 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H](CC)CNC(=O)C1=CCOCC1 1753474031 XGIIAJDQNKYUCQ-GXTWGEPZSA-N 307.394 -0.045 30 20 DBED C#CCNC(=O)CN1CCO[C@H](CNC(=O)Cc2ccco2)C1 1753657251 ZGOCDPBTTBBACQ-CQSZACIVSA-N 319.361 -0.612 30 20 DBED CN1CC[C@@H](CC(=O)N(C)CCCNCC(=O)NCC#N)C1 1754407803 MPNUTVHWSYBEND-ZDUSSCGKSA-N 309.414 -0.594 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@H]1CNC(=O)c1cnn(CC)c1 1754476630 AIZNGOQTTJNCNJ-JSGCOSHPSA-N 317.393 -0.155 30 20 DBED CCCN(C)CC(=O)N1CC[C@](C)(CNCC(=O)NCC#N)C1 1754711172 VZAUJNVIWAHTQC-MRXNPFEDSA-N 323.441 -0.204 30 20 DBED CC1(C)C[C@@H]1C(=O)NC[C@@]1(O)CCN(CC(=O)NCC#N)C1 1754748423 INIMFWVBRKRURV-ABAIWWIYSA-N 308.382 -0.775 30 20 DBED C=CCCN1CCOC[C@@H]1CNC(=O)CC[C@H]1NC(=O)NC1=O 1754974011 HZIBWFNUZDHOMR-NWDGAFQWSA-N 324.381 -0.632 30 20 DBED N#CCNC(=O)CNC[C@@H]1CN(C(=O)CC2CCC2)CCO1 1754998130 IRORUYHONSMUIA-CYBMUJFWSA-N 308.382 -0.367 30 20 DBED C#CCCNC[C@H]1CN(C(=O)c2cnn(C)c2OC)CCO1 1755014771 RPDGWVPCTVKDBF-LBPRGKRZSA-N 306.366 -0.117 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC2(CN(C(=O)[C@@H](C)OC)CCO2)C1 1755048735 HRPWDOVCEVQFEB-CHWSQXEVSA-N 323.393 -0.928 30 20 DBED C=CCCN[C@H]1CN(C(=O)CCn2cc[nH]c(=O)c2=O)C[C@@H]1C 1755117574 IGLUQUJFLAZSNF-STQMWFEESA-N 320.393 -0.061 30 20 DBED C=CCN1CCC(CO)(NC(=O)[C@H](C)NS(C)(=O)=O)CC1 1755180600 DFLMWZFKAARKFZ-NSHDSACASA-N 319.427 -0.947 30 20 DBED C#CCNC(=O)CN(C)C[C@H]1CCCN1C(=O)Cc1cc[nH]n1 1755188989 LALYRJDMWDVFQX-CQSZACIVSA-N 317.393 -0.376 30 20 DBED C#CCCN[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1(C)C 1755762256 ZEGCWWLNXQLARY-YNEHKIRRSA-N 307.394 -0.131 30 20 DBED CN(C[C@H](O)CNCC#N)C(=O)c1cc2c(nc1O)CCOC2 1755791085 IAUIRUJCXUHYKT-LLVKDONJSA-N 320.349 -0.594 30 20 DBED C=CCCC(=O)N(C)[C@H](C)CNC(=O)Cn1nc(C)n(C)c1=O 1756055902 LCVUIAYTWTXGHZ-LLVKDONJSA-N 323.397 -0.180 30 20 DBED CC#CCCCC(=O)N1CCO[C@@H]([C@@H](C)NC(=O)CC(N)=O)C1 1756221031 SMNSYEIYJYSYGK-CHWSQXEVSA-N 323.393 -0.213 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCOCCNC(=O)C[C@@H]1CCC(=O)N1 1756377393 VHCQRCFRRCFRNC-RYUDHWBXSA-N 324.381 -0.594 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](CO)CNC(=O)CC(C)(C)O 1756515119 FYHZOAJVTGMELU-UTUOFQBUSA-N 314.382 -0.668 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H](CO)CNC(=O)c1cnnc(C)c1 1756515240 IGGKWIHYYUUZBH-AAEUAGOBSA-N 320.349 -0.970 30 20 DBED C=CCOCC(=O)N(C)C[C@@H](O)CNC(=O)c1nn(C)cc1C 1756655590 IDDSNVXFWFWQRN-LBPRGKRZSA-N 324.381 -0.520 30 20 DBED C#CCOCCC(=O)N1C[C@@H](O)[C@H](NC(=O)C[C@](C)(O)C=C)C1 1756992400 WTRWVROMMITVGY-XJKCOSOUSA-N 324.377 -0.959 30 20 DBED C=CCCC(=O)N[C@@H]1CCN(C(=O)c2ccc(O)nn2)C[C@@H]1O 1757563786 XNOUGAPAJFLRJA-PWSUYJOCSA-N 320.349 -0.160 30 20 DBED CCc1ncc(C=NNCC(=O)O)n1S(=O)(=O)N(C)C 1776078324 KJSDKPJFDQBFMV-UHFFFAOYSA-N 303.344 -0.892 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)Cc1cc[nH]n1)CCO2 1783054048 BVLVQSNPSHDGNS-HNNXBMFYSA-N 302.334 -0.585 30 20 DBED C#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](C)NC=O)CCO2 1785427605 GCUFQGVPOIQIMP-XJKSGUPXSA-N 321.377 -0.636 30 20 DBED C=CCC(=O)N1CCO[C@@]2(CCN(C(=O)CNC(N)=O)C2)C1 1785631769 AEAGABQBQHFYPU-CQSZACIVSA-N 310.354 -0.939 30 20 DBED Cn1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CC#N)C3)n1 1794789960 IUDKASHYDYJGAG-GNXNZQSNSA-N 317.349 -0.463 30 20 DBED C=CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CNC(=O)C1)C2 1801001435 OXKSXCVDINJTBN-MCYUEQNJSA-N 321.377 -0.712 30 20 DBED CC[C@H](O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC(=O)O 1801986484 KAUHRHWRQBQLCS-USZNOCQGSA-N 308.334 -0.517 30 20 DBED Cc1nc(C(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)co1 1846195227 QYJSHIDHUDDFOZ-UHFFFAOYSA-N 317.301 -0.112 30 20 DBED N#CCCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CNC(=O)O1 1847848600 QKLOGRPOVSDQJQ-DCAQKATOSA-N 306.322 -0.400 30 20 DBED N#CCN(CC#N)C(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1 162015747 QCFZVXGBZFOLSQ-ZDUSSCGKSA-N 310.317 -0.018 30 20 DBED N#CCc1cccc(C(=O)N2CCN(S(N)(=O)=O)CC2)c1 171772899 XOTCGGUODKHUBL-UHFFFAOYSA-N 308.363 -0.286 30 20 DBED COCCN1CCN(S(=O)(=O)c2ccc(C#N)nc2)CC1 172995716 SHRLXBIFRRUQAG-UHFFFAOYSA-N 310.379 -0.094 30 20 DBED C#Cc1cccc(NC(=O)C(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)c1 268419492 FGVOTVJIQMSPMW-QWHCGFSZSA-N 315.329 -0.245 30 20 DBED CC(C)(C)OC(=O)CNC(=O)CO/N=C(\N)c1cnccn1 272994550 YFJJGDDYLZFYSG-UHFFFAOYSA-N 309.326 -0.429 30 20 DBED CCO[C@@H]1C[C@@H](NC(=O)NCCn2cnc(C#N)n2)[C@@H]1OC 286984227 GTVZNAHBNKNIRT-FOGDFJRCSA-N 308.342 -0.359 30 20 DBED CCNC(=O)N1CCN(S(=O)(=O)c2cncc(C#N)c2)CC1 289973325 XFELMZUKXOLNAT-UHFFFAOYSA-N 323.378 -0.011 30 20 DBED N#C[C@@H]1CN(C(=O)C(F)(F)C(=O)N2CCOCC2)CCO1 296403979 UNKPUHGAYMMPRD-SECBINFHSA-N 303.265 -0.769 30 20 DBED COc1nnccc1N=C(O)N1CC[C@]2(C1)N=C(O)N(C)C2=O 329560430 MGGUSFGENVTCJN-CYBMUJFWSA-N 320.309 -0.139 30 20 DBED CC(=O)NCCC/N=C(/O)N1CCN(Cc2nc(C)no2)CC1 330904648 YYKZNYPIFNUGOL-UHFFFAOYSA-N 324.385 -0.064 30 20 DBED CC(C)OC(=O)CC/N=C(/O)N1CC[C@@H](S(N)(=O)=O)C1 331302052 XBTQVFVDOJLGSY-SECBINFHSA-N 307.372 -0.395 30 20 DBED CN(C)S(=O)(=O)NCCN/C(O)=N/CC[C@@H]1CCCCO1 331355816 RCMFPLBHRYKFIW-NSHDSACASA-N 322.431 -0.155 30 20 DBED COCCN([C@@H](C)C(N)=O)S(=O)(=O)N(C)[C@H](C)CC#N 337836155 UMFJDPSSVCVHAH-ZJUUUORDSA-N 306.388 -0.713 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](CO)C(C)(C)C)C1=O 346544202 PYIBDRVHCBHPRR-VIFPVBQESA-N 311.338 -0.514 30 20 DBED N#Cc1ccc(OCCN2C(=O)[C@@H]3CNC(=O)CN3C2=O)cc1 348576474 SGVMHPDURQEXPR-LBPRGKRZSA-N 314.301 -0.300 30 20 DBED CN1CC[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C1=O 351607999 LJTZLQDJFCQOER-SECBINFHSA-N 324.318 -0.025 30 20 DBED CC(C)(NC(=O)CNC(=O)c1ccc(C#N)cc1)c1nn[nH]n1 353354482 NGDSAHHKZVVPCG-UHFFFAOYSA-N 313.321 -0.147 30 20 DBED C[C@@H]1C[C@H](O)CN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 355942114 CAYNKDZCZCPJEV-PWSUYJOCSA-N 323.374 -0.182 30 20 DBED C=CCN(CCOC)C(=O)NCCn1cc(C(=O)OC)nn1 355997231 AFISRQNKUGFHRK-UHFFFAOYSA-N 311.342 -0.091 30 20 DBED CN1CC[C@H](CNC(=O)CNc2ccc(C#N)cn2)CC1=O 424949924 DXJHNMPQHQBULG-NSHDSACASA-N 301.350 0.350 30 20 DBED CC(C)(CNC(=O)COc1cnc(C#N)nc1)N1CCOCC1 488757701 ZQFBFFBLCNNSGV-UHFFFAOYSA-N 319.365 -0.046 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2cnn3c2CCC3)CC1 491725089 CVIGCWFUYGFILS-UHFFFAOYSA-N 315.377 -0.664 30 20 DBED N#CCC1(O)CN(C(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)C1 551882609 KYEOJJXDPLNTOF-PHIMTYICSA-N 303.318 -0.575 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCCCNC2CC2)C1=O 565365695 UQFPGXNNAGBVQO-UHFFFAOYSA-N 308.338 -0.779 30 20 DBED C[C@H]1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)C[C@H]1C(=O)O 572879570 NBAQWLDGKMPANL-WCBMZHEXSA-N 306.322 -0.497 30 20 DBED C[C@@H]1CCN(C(=O)NCCn2cnc(C#N)n2)C[C@H]1C(=O)O 577488963 LALCJYJPZZVZHB-NXEZZACHSA-N 306.326 -0.098 30 20 DBED COC[C@H](CCO)NCCS(=O)(=O)c1ccc(C#N)cn1 581548673 QRFYIFZZRUEHLK-LBPRGKRZSA-N 313.379 -0.286 30 20 DBED C[C@H]1CN(C[C@@H](C)O)CCN1C(=O)Nc1nn(C)cc1C#N 585797433 XDVIBDJAYVLMIA-WDEREUQCSA-N 306.370 0.211 30 20 DBED N#Cc1cccc(S(=O)(=O)NCC(=O)NCC2(CO)CC2)c1 589450017 UVBZZESZMHBIEQ-UHFFFAOYSA-N 323.374 -0.275 30 20 DBED CCN(CC(=O)NC(C)C)C(=O)CN1CC[C@@](O)(CC#N)C1 592148698 ZMQQEFGJKSJUHR-HNNXBMFYSA-N 310.398 -0.290 30 20 DBED CCN(CCC#N)S(=O)(=O)N[C@H]1CCc2c(nnn2C)C1 594479019 LYLKKWINZCYAPI-JTQLQIEISA-N 312.399 -0.258 30 20 DBED C=CCCSCCNC(=O)C(=O)N1CCO[C@@H]([C@@H](C)N)C1 595284990 YWDXXNOZYCPREE-VXGBXAGGSA-N 315.439 -0.014 30 20 DBED N#CCCCCNC(=O)C(=O)N1CCN([C@@H]2CCOC2)CC1 597257479 SXABBCHBOPRUHD-CYBMUJFWSA-N 308.382 -0.270 30 20 DBED N#CCCN1CCN(C(=O)C(=O)NCCn2cccn2)CC1 602235174 GDHZHGKMWNMMHK-UHFFFAOYSA-N 304.354 -0.943 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@]2(C#N)CCSC2)C1=O 604527350 SRJBFKKBOLNJGY-ZDUSSCGKSA-N 322.346 -0.521 30 20 DBED COCCN1CCC[C@@H](NS(=O)(=O)N(C)CCC#N)C1 609279194 QQBABJXHHGZHKT-GFCCVEGCSA-N 304.416 -0.223 30 20 DBED CC#CC[C@@H](CO)NC(=O)c1nc(S(C)(=O)=O)ncc1C 616505386 LUDBXPZGXYFCOJ-JTQLQIEISA-N 311.363 -0.307 30 20 DBED CC#CCCNC(=O)N1CCCN(C(=O)CNC(C)=O)CC1 637057789 DLIGNXNCFDLQKY-UHFFFAOYSA-N 308.382 -0.220 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)N1CCO[C@@H](CNC(C)=O)C1 668871490 JBDBHUQFCCEHLC-KBPBESRZSA-N 311.382 -0.179 30 20 DBED C=CCOCCNS(=O)(=O)CCNS(=O)(=O)CC 679475054 QZWBWRFIFFGVMN-UHFFFAOYSA-N 300.402 -0.952 30 20 DBED O=C(O)c1c(F)ccc(S(=O)(=O)NCC#CCO)c1F 717505613 SHAVDARXWUSROJ-UHFFFAOYSA-N 305.258 -0.063 30 20 DBED N#Cc1cnn(C(=O)COc2ccc(S(N)(=O)=O)cc2)c1N 749929905 VKAOMWARPFZGKU-UHFFFAOYSA-N 321.318 -0.296 30 20 DBED C#CCNC(=O)COC(=O)c1cc(S(=O)(=O)NC)oc1C 751743800 YAWITIFJLLLOKG-UHFFFAOYSA-N 314.319 -0.598 30 20 DBED C=C(CN(C)C)C(=O)N(CCOC)[C@@H]1CCS(=O)(=O)C1 764499629 OZUIHZOOMOOJRF-GFCCVEGCSA-N 304.412 -0.234 30 20 DBED CNC(=O)COC(=O)CNS(=O)(=O)c1cccc(C#N)c1 769745390 FNAYLPWEMCHHGC-UHFFFAOYSA-N 311.319 -0.874 30 20 DBED Cn1c(C=NNCC(F)(F)F)nc2c1c(O)nc(=O)n2C 769824786 MHZWUIHGMNGXLU-UHFFFAOYSA-N 304.232 -0.142 30 20 DBED C#CCOCCNC(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 784388326 IZXWLUIIKQPNHL-LLVKDONJSA-N 303.384 -0.783 30 20 DBED CNS(=O)(=O)CCNC(=O)Cc1ccc(OCC#N)cc1 784705599 IPCLQXSRUQSWRX-UHFFFAOYSA-N 311.363 -0.203 30 20 DBED N#C[C@H]1CN(S(=O)(=O)N2CCC[C@@]23CCOC3=O)CCO1 800116101 ADGTVBBMZMHQLA-JQWIXIFHSA-N 315.351 -0.763 30 20 DBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC(=O)O 818051918 BZWVSSVQDORYOE-MRVPVSSYSA-N 311.319 -0.574 30 20 DBED C#CCCN(CCOC)C(=O)N[C@H]1CS(=O)(=O)C[C@@H]1OC 821141503 QGQHGVICSAHILA-RYUDHWBXSA-N 318.395 -0.520 30 20 DBED C#CCOCCC(=O)OCCn1ncc(-c2nn[nH]n2)c1N 823856285 OEFYTQXTEYEBOV-UHFFFAOYSA-N 305.298 -0.772 30 20 DBED CN1CC[C@@H](C(=O)NCCNc2ccc(C#N)cn2)S1(=O)=O 843763236 JHTDWRPBPJDRAF-NSHDSACASA-N 323.378 -0.485 30 20 DBED C#CC[C@@H](CO)NC(=O)C(=NOCC(=O)OCC)c1cc[nH]n1 854543275 VXTGJUUBIHDLCS-JTQLQIEISA-N 322.321 -0.806 30 20 DBED C#CCCN(CCOC)C(=O)Cn1cc(S(N)(=O)=O)cn1 856387491 IHONKAIQFKKBRY-UHFFFAOYSA-N 314.367 -0.971 30 20 DBED C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2COCO2)c1 861967413 YZEPHNZLKAZUCC-GFCCVEGCSA-N 324.358 -0.299 30 20 DBED C#CC[C@H](CCOC)NC(=O)C1CCN(S(N)(=O)=O)CC1 863790246 CXZUDLOISQLYDT-GFCCVEGCSA-N 317.411 -0.554 30 20 DBED C#CCNS(=O)(=O)N1CCN(c2ncccc2C#N)CC1 872634191 XIYMTAYQUZIQCS-UHFFFAOYSA-N 305.363 -0.457 30 20 DBED C#C[C@@H](NC(=O)C(=O)N1CCN(CCC#N)CC1)[C@@H]1CCCO1 875324164 KFXLDHWREPYSBV-KGLIPLIRSA-N 318.377 -0.659 30 20 DBED C#CC[C@@H](CCOC)NC(=O)N1CC(NS(C)(=O)=O)C1 875914803 ZVRKUUSZEWTVLO-JTQLQIEISA-N 303.384 -0.642 30 20 DBED C#CC1(O)CN(C(=O)NC2CCN(CC(=O)NCCC)CC2)C1 891928750 IGSMJALQCLFWKB-UHFFFAOYSA-N 322.409 -0.634 30 20 DBED C=CCN(C(C)C)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O 917657442 QUSGESDXJXFOLX-UHFFFAOYSA-N 301.368 -0.331 30 20 DBED CC(C)[C@](C)(C#N)NC(=O)CN1CCC(C(=O)NCCO)CC1 920209435 AJMYZJCGXPFQTA-INIZCTEOSA-N 324.425 -0.139 30 20 DBED C#CCN1CCC[C@@H](NC(=O)CCCN2C(=O)CNC2=O)C1 923592103 KHJIRYBZDKCVDB-GFCCVEGCSA-N 306.366 -0.468 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(CC1)CN(C(=O)[C@H]1COC(=O)N1)C2 945030981 PDVZKGRHNYOREF-WDEREUQCSA-N 320.349 -0.295 30 20 DBED C#CCN1CC[C@@H](NC(=O)CN2CCCS2(=O)=O)C[C@H]1C 947365864 VBZVYPBKRIXLBM-CHWSQXEVSA-N 313.423 -0.376 30 20 DBED Cn1nncc1C(=O)N[C@@H]1CCCN(C(=O)C#CC2CC2)C1 950758319 HSDNPXTVXZTZAM-GFCCVEGCSA-N 301.350 -0.051 30 20 DBED C=CCn1cccc1C(=O)N1CCC[C@@H](NC(=O)C(N)=O)C1 951151292 DHPYOSVGTGBGSW-LLVKDONJSA-N 304.350 -0.120 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]1CNC(=O)c1cc(C(N)=O)c[nH]1 951834200 RJYHWMORFHUMMQ-WCBMZHEXSA-N 303.322 -0.396 30 20 DBED C[C@@H]1CN(C)C[C@H](C(=O)N(C)C2CN(C(=O)C#CC3CC3)C2)O1 954646064 CBEBSWLNJGXNEL-IUODEOHRSA-N 319.405 -0.212 30 20 DBED C=C(Cl)CN1C[C@H](CNC(=O)c2nccnc2N)[C@@H](O)C1 957940619 UJUGGECEMUHYPT-UWVGGRQHSA-N 311.773 -0.166 30 20 DBED Cn1nc(C(=O)NC[C@@H]2CN(CC#N)C[C@@H]2O)c2c1CCCC2 958407937 BFEWGHKBNFMHRO-RISCZKNCSA-N 317.393 -0.155 30 20 DBED Cc1ncc(Cl)c(C(=O)NC[C@H]2CN(CC#N)C[C@@H]2O)n1 958454465 XAFYGKUDNRHYMU-ONGXEEELSA-N 309.757 -0.016 30 20 DBED Cn1ncnc1CN1C[C@H]2C(NC(=O)c3cc(C#N)c[nH]3)[C@@H]2C1 958500665 SHSRHKDDRDEXTJ-GHMZBOCLSA-N 311.349 -0.125 30 20 DBED C[C@H]1CN(C(=O)CC(N)=O)C[C@@H]1CNC(=O)c1c[nH]c(C#N)c1 959408465 DOJTYPJROSCIBW-ONGXEEELSA-N 317.349 -0.414 30 20 DBED CC#CCN1C[C@H]2C(NC(=O)[C@@H](C)N3C(=O)CCC3=O)[C@@H]2C1 960165474 KIZOQUBPDMUOGI-IJLUTSLNSA-N 303.362 -0.406 30 20 DBED C=CCn1cc(C(=O)NC2[C@@H]3CN([C@@H]4CCNC4=O)C[C@@H]23)nn1 961993568 LXJPLECKMDFACZ-CKYFFXLPSA-N 316.365 -0.987 30 20 DBED C#CCN1C[C@@H]2C(NC(=O)[C@@H]3OCC[C@@H]3Cn3cccn3)[C@H]2C1 962010073 CIVNMDVULHQMBV-ORIJERBGSA-N 314.389 -0.032 30 20 DBED C=CCCN1C[C@H]2C(NC(=O)[C@@H]3COCCN3C(C)=O)[C@@H]2C1 962622796 ZTSGBMNTHQKVQL-MCIONIFRSA-N 307.394 -0.144 30 20 DBED C#CCN1C[C@H]2[C@H](NC(=O)c3ccnc(-n4cncn4)c3)[C@H]2C1 963013485 CUFHZECFUSTMON-NHAGDIPZSA-N 308.345 -0.045 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)[C@H]3C[C@@H](C)CC(=O)N3)C2)C1 972387679 VMJRITIYFIFEKA-CKEIUWERSA-N 319.405 -0.162 30 20 DBED Cc1nn(C)c(=O)c(C(=O)NCC2[C@@H]3CN(CC#N)C[C@@H]23)c1C 978570405 YMHVTNMXVHMOLG-STQMWFEESA-N 315.377 -0.172 30 20 DBED C#Cc1cncc(C(=O)NCC2[C@H]3CN(CC(=O)NC)C[C@H]23)c1 978694927 FQUDULLWQXWYTQ-HUUCEWRRSA-N 312.373 -0.284 30 20 DBED C#CCN[C@@H]1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)[C@@H]1C 987193245 YHYQKNHVVZYKLQ-VXGBXAGGSA-N 304.350 -0.861 30 20 DBED C#CCN[C@H]1C[C@@H](C)N(C(=O)CN2C(=O)NC(C)(C)C2=O)C1 989751275 DGXAMBYLKOUAGV-MNOVXSKESA-N 306.366 -0.471 30 20 DBED C=CCn1cc(C(=O)NC2CN(C(=O)c3ncc[nH]3)C2)nn1 991673813 PDFWEHJUNGDLGF-UHFFFAOYSA-N 301.310 -0.558 30 20 DBED C=CCn1cc(C(=O)NC2CN(C(=O)[C@H]3C[C@H](C)CO3)C2)nn1 991673883 QJDSMLNNYDORHQ-GXFFZTMASA-N 319.365 -0.170 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NC1CN(C(=O)Cn2cncn2)C1 992070183 BBCZARAKGHSGTM-OLZOCXBDSA-N 319.365 -0.414 30 20 DBED C[C@@]12CN(C(=O)C(N)=O)C[C@@H]1CN(C(=O)c1c[nH]c(C#N)c1)C2 992813817 CYVDFKMWDLXPDP-ZUZCIYMTSA-N 315.333 -0.708 30 20 DBED C#CCCN1CCC[C@H](NC(=O)CN2CC(=O)N(C)C2=O)[C@H]1C 994216440 VKUAZEQVRHZZCF-OLZOCXBDSA-N 320.393 -0.127 30 20 DBED CC1(C)NC(=O)N(CC(=O)N2C[C@H](NCC#N)C(C)(C)C2)C1=O 996581580 BJNNDGGPQSHKLU-JTQLQIEISA-N 321.381 -0.333 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H](NCCN2C(=O)CNC2=O)C1 998750427 DDUQWMAGVMDBCD-WDEREUQCSA-N 307.354 -0.722 30 20 DBED C#CCN1CCC(CNC(=O)c2cn(C)c(=O)n(C)c2=O)CC1 1001904784 KXYZAJQNVVZQDM-UHFFFAOYSA-N 318.377 -0.841 30 20 DBED O=C(NCC1CN(C(=O)C#CC2CC2)C1)c1cnnc(O)c1 1002552075 WTVNVCGDINBBKS-UHFFFAOYSA-N 300.318 -0.216 30 20 DBED C[C@@H](C#N)C(=O)N1CC(CNC(=O)[C@H]2CCCN(C(N)=O)C2)C1 1003184599 CRWXBCJJSQGJAR-JQWIXIFHSA-N 321.381 -0.489 30 20 DBED CC(=O)N1CCO[C@H](C(=O)N(C)C2CCN(CC#N)CC2)C1 1006360614 GWXYWEFBYKHHRS-AWEZNQCLSA-N 308.382 -0.320 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C(=O)[C@H]2CCNC(=O)CC2)CC1 1011680402 SECLUSFUNIAKFW-VXGBXAGGSA-N 306.366 -0.267 30 20 DBED N#Cc1c[nH]c(C(=O)N2C[C@@H]3C(NC(=O)Cn4cccn4)[C@H]3C2)c1 1012772721 AFMXLAKPLBQVNJ-RYUDHWBXSA-N 324.344 -0.030 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C1 1014635723 XIAITBHOWHMECK-GFCCVEGCSA-N 306.366 -0.686 30 20 DBED C[C@H](C#N)C(=O)N1CCCO[C@@H](CNC(=O)c2ccncn2)C1 1019654347 TZZQOEKJIRZGNR-NEPJUHHUSA-N 317.349 -0.016 30 20 DBED C=CCCn1cc(C(=O)N[C@H]2C[C@@H](N[C@H](CC)C(N)=O)C2)nn1 1022836114 VDCNSLVUBVDHQP-GRYCIOLGSA-N 320.397 -0.032 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2nccnc2N)C1 1023225447 XSHCPJGLSXKAJH-NXEZZACHSA-N 319.365 -0.428 30 20 DBED N#CCN1CCC[C@@H]1CNC(=O)C1CC2(C1)CS(=O)(=O)C2 1027967011 ZTVKZPPMSPRXHJ-GFCCVEGCSA-N 311.407 -0.085 30 20 DBED N#Cc1cc(C(=O)NC[C@@H]2CCN([C@@H]3CCNC3=O)C2)c[nH]1 1028489108 SFLIIWZDFJXSQX-GXFFZTMASA-N 301.350 -0.173 30 20 DBED N#CCN1CCO[C@H](CNC(=O)c2cn([C@H]3CCOC3)nn2)C1 1035569855 AGWHCBDHVQYNQI-NWDGAFQWSA-N 320.353 -0.806 30 20 DBED COCCn1cc(C(=O)N[C@H]2[C@H]3C[C@H]2N(CC#N)C3)ccc1=O 1037490391 YRGDYLYVAOJWSB-GUTXKFCHSA-N 316.361 -0.179 30 20 DBED CC(C)(O)CC(=O)N1CC[C@](O)(CNC(=O)C#CC2CC2)C1 1039680905 PVPJBJPPYHXIJI-INIZCTEOSA-N 308.378 -0.360 30 20 DBED C#CCOCCC(=O)NC[C@@]1(O)CCN(C(=O)C#CC2CC2)C1 1039719152 OWGNTIAUNGHFPN-KRWDZBQOSA-N 318.373 -0.481 30 20 DBED C=CCCC(=O)N1CC[C@@](O)(CNC(=O)C2(C(=O)NC)CC2)C1 1040282924 WZCHIXVCUPYSAE-OAHLLOKOSA-N 323.393 -0.442 30 20 DBED Cn1ccc(C(=O)N[C@@H]2CN(c3ccc(C#N)nc3)C[C@H]2O)n1 1041052907 GOSQIMSLPUDHED-ZIAGYGMSSA-N 312.333 -0.334 30 20 DBED C=CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)COC(C)C)C1 1041850551 XEVLAFJXEWKKGW-GFCCVEGCSA-N 314.382 -0.308 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)[C@@H](C)OCC)C1 1042040760 YINXXZFUVNIHRH-LLVKDONJSA-N 300.355 -0.697 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)/C=C\C2CC2)C1 1042323592 NCTQARPNSMAMLV-WAYWQWQTSA-N 306.362 -0.318 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CN(Cc2nnnn2C)C1 1042742348 MVMGEHYPNBTZDC-OLZOCXBDSA-N 320.397 -0.166 30 20 DBED CC#CCCCC(=O)N1CC(O)(CNC(=O)[C@H]2CCN(C)C2)C1 1043121197 XOBVQBHWSGAASS-AWEZNQCLSA-N 321.421 -0.179 30 20 DBED C#CCCN1CC(N(C)C(=O)[C@H]2CCc3nnc(O)n3C2)C1 1043127531 GYXRSEVVPFQALH-NSHDSACASA-N 303.366 -0.288 30 20 DBED C=C(C)CCC(=O)NCC1(O)CN(C(=O)CC(=O)N(C)C)C1 1043320357 RJYMJLAJWIDSIK-UHFFFAOYSA-N 311.382 -0.490 30 20 DBED Cc1ccc(C#N)c(N2C[C@H]3[C@@H](C2)OCCN3C(=O)C(N)=O)n1 1043781225 YXGUOZWGQPCIMU-NWDGAFQWSA-N 315.333 -0.837 30 20 DBED C[C@@H]1C[C@@H](NCc2nc(=O)n(C)[nH]2)CCN1C(=O)C#CC1CC1 1044603421 QKIWIGICBSMDDP-YPMHNXCESA-N 317.393 -0.009 30 20 DBED C=C(C)CN[C@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)[C@H](C)C1 1044882549 ZMSASQIHOUJEPS-NEPJUHHUSA-N 320.397 -0.078 30 20 DBED C[C@H]1C[C@@H](C(=O)NCC2(O)CN(C(=O)C#CC3CC3)C2)CCO1 1045311984 WZPYPZGVTBXUNF-JSGCOSHPSA-N 320.389 -0.096 30 20 DBED Cc1ccc(C(=O)N2CC(O)(CNC(=O)[C@@H](C)C#N)C2)cn1 1045540631 KCYAGCZHACPHME-JTQLQIEISA-N 302.334 -0.147 30 20 DBED Cc1noc(C)c1C(=O)N1CC(O)(CNC(=O)[C@@H](C)C#N)C1 1045541233 ROFNOOSPKMEXQM-QMMMGPOBSA-N 306.322 -0.246 30 20 DBED C=CCN1CC[C@H](N2CCN(C(=O)C[C@@H]3CCNC3=O)CC2)C1 1046035189 GNSAKEDWXGSTRU-GJZGRUSLSA-N 320.437 -0.083 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCn3ccnc3C2)C1 1047436004 RIQOHJIZFHKTHB-KKUMJFAQSA-N 316.405 -0.028 30 20 DBED CC(=O)Nc1cc(C(=O)N(C)[C@H]2CN(CC#N)C[C@@H]2O)ccn1 1047569121 QHEXXKJVRGIHMT-STQMWFEESA-N 317.349 -0.319 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C(C)(C)F)C1 1048011347 WWZOFYBNJJHNTO-SRVKXCTJSA-N 314.357 -0.197 30 20 DBED CC[C@@H](OC)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C#CC2CC2)C1 1048821612 UMTMFKCUVSKUKF-MELADBBJSA-N 308.378 -0.145 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCNC2=O)C1 1048990816 ZISJVNHTKOVZED-AGIUHOORSA-N 323.393 -0.491 30 20 DBED C#CCCN1C[C@H]2CN(C(=O)c3cn(C)c(=O)nc3O)C[C@H]2C1 1049211587 AQPWTYZIQDTNKI-TXEJJXNPSA-N 316.361 -0.487 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cccnn2)C1 1049303296 WGMPCVLCXVUBFD-KBPBESRZSA-N 316.361 -0.076 30 20 DBED C[C@@H]1[C@@H](NC(=O)[C@H]2COCCO2)CCN1c1cnc(C#N)cn1 1050065011 IFYCSISDMOTDQG-KGYLQXTDSA-N 317.349 -0.153 30 20 DBED N#CCN1CCOC[C@@H]1CNC(=O)c1cc2n(n1)CCCO2 1051018639 WVGJZEZOZCDZBN-NSHDSACASA-N 305.338 -0.380 30 20 DBED N#CCN1CCOC[C@@H]1CNC(=O)[C@@H]1CCc2nncn2CC1 1051034285 OJOMGHDHOJPLEY-OLZOCXBDSA-N 318.381 -0.429 30 20 DBED N#CCN1CCOC[C@H]1CNC(=O)[C@H]1CCCS(=O)(=O)C1 1051144707 WTIKCDXZWPQAKK-NWDGAFQWSA-N 315.395 -0.848 30 20 DBED Cc1ccn2ncc(C(=O)NC[C@@H]3COCCN3CC#N)c2n1 1051211287 BUTGWUGTENPNKD-GFCCVEGCSA-N 314.349 -0.008 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@@H]([C@H](C)NC(=O)C(N)=O)C2)cn1 1051309926 YTWRAEANNPAJHA-CMPLNLGQSA-N 314.345 -0.485 30 20 DBED CC(=O)NCC(=O)NC[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1C 1052547356 FHQAYEHQRLWVLY-SMDDNHRTSA-N 305.378 -0.253 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)CCn1cncn1)CCO2 1053157696 QGXKNDBRGUBWAR-UHFFFAOYSA-N 303.366 -0.395 30 20 DBED C#CCN1CC2(C1)CN(C(=O)[C@@H]1CCN(C(C)=O)C1)CCO2 1053520695 YBPHYSKVXWDAKQ-CQSZACIVSA-N 305.378 -0.599 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)[C@@H]3CCn4ccnc4C3)CO2)C1 1053851975 DSBKAYQISKPLCJ-CHWSQXEVSA-N 315.377 -0.071 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)c3cc(C(N)=O)ccn3)CO2)C1 1054027674 RZNVQCWZVFBSDM-NSHDSACASA-N 315.333 -0.723 30 20 DBED C#CCN1CC[C@@]2(CCCN(C(=O)[C@@H]3CN(C)C(=O)N3)C2)C1 1054178188 XVCOGADFHPCNFC-BBRMVZONSA-N 304.394 -0.042 30 20 DBED C[C@@H](C#N)C(=O)NCCN(Cc1ccccc1)C(=O)C(N)=O 1055096884 ZJDREUPNGGVZHG-NSHDSACASA-N 302.334 -0.224 30 20 DBED N#Cc1cncc(N2C[C@H]3[C@H](NC(=O)c4ccc(O)nn4)[C@H]3C2)n1 1056113577 HLTKHLQIGUDRAL-MSRIBSCDSA-N 323.316 -0.292 30 20 DBED N#CCSCC(=O)N1CCC[C@H]2[C@@H]1CCN2C(=O)CC(N)=O 1056248962 SPQIGJNAXREDKY-QWRGUYRKSA-N 324.406 -0.290 30 20 DBED CC(C)(C(N)=O)C(=O)N1CC[C@@H](Nc2nccnc2C#N)C1 1056720376 JYDBLUUYSUAUSD-SECBINFHSA-N 302.338 -0.127 30 20 DBED C=CC(C)(C)C(=O)NCCN(CCO)C(=O)CN(C)C(C)=O 1057032510 NDLJJVRUSJMEMD-UHFFFAOYSA-N 313.398 -0.386 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)Cc1ccon1 1057240784 VTBJJGUWPRNTLD-UHFFFAOYSA-N 311.338 -0.643 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)C(C)(C)C(N)=O 1057524914 WQCIZHAFKVMCRA-UHFFFAOYSA-N 311.382 -0.906 30 20 DBED CN1CCO[C@@H](C(=O)N[C@H]2CCN(c3ccncc3C#N)C2)C1 1058317040 NFDZIOLRAPHPNB-DZGCQCFKSA-N 315.377 -0.021 30 20 DBED N#Cc1cncc(N2CC[C@H](NC(=O)[C@H]3CCNC3=O)C2)n1 1058507491 GJBKZHANWQUHOQ-ONGXEEELSA-N 300.322 -0.821 30 20 DBED N#Cc1cnc(N2CC[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)c(F)c1 1058544850 JXEYTWMEFGUYEY-AXFHLTTASA-N 317.324 -0.091 30 20 DBED CCCN1CCC[C@@H]1C(=O)NCCN(CCO)C(=O)[C@H](C)C#N 1058660783 IJNGXOFOUDMGOO-ZIAGYGMSSA-N 324.425 -0.042 30 20 DBED Cc1cc(C#N)nc(N[C@H]2CCN(C(=O)[C@H]3CCNC3=O)C2)n1 1059019760 HKZOARBCFWKVPT-JQWIXIFHSA-N 314.349 -0.194 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCOC[C@@H]1CNC(=O)CCOC 1061160750 OYFRPKPBIXPECM-WFASDCNBSA-N 314.382 -0.306 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H]1COCCN1C(=O)CCOC 1061584799 MZBQMWPJWGNGBY-OLZOCXBDSA-N 312.366 -0.595 30 20 DBED C=CC(C)(C)C(=O)NC[C@H]1COCCN1C(=O)[C@@H]1CCNC1=O 1061755212 DDWXABRXTIPGQF-NWDGAFQWSA-N 323.393 -0.322 30 20 DBED CC(C)N(C)CC(=O)N1CCOC[C@H]1CNC(=O)[C@@H](C)C#N 1061852506 JBVNGPUUCDUYGM-QWHCGFSZSA-N 310.398 -0.170 30 20 DBED Cc1nc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)Cn2ncnn2)ccc1C#N 1064297353 HUUNITCTPJBUKG-XUJVJEKNSA-N 324.348 -0.358 30 20 DBED COCCC(=O)N1CCO[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 1064706829 YIVQAVMOWNBFAI-LBPRGKRZSA-N 320.349 -0.120 30 20 DBED C=C1CC(C)(C(=O)NC[C@@H]2CN(C(=O)CC(N)=O)CCO2)C1 1064999268 VDLLZWKDZQLSJK-LLVKDONJSA-N 309.366 -0.438 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCO[C@@H](CNC(=O)c2cn[nH]c2)C1 1065096292 CBCVWFFTASFRFS-WFASDCNBSA-N 322.365 -0.306 30 20 DBED C=C(C)C[C@H](C)C(=O)N1CCO[C@@H](CNC(=O)CC(N)=O)C1 1065490755 HCTHCSORSWQQLW-RYUDHWBXSA-N 311.382 -0.192 30 20 DBED CNC(=O)NCC(=O)N[C@@H]1CCCN(C(=O)[C@H](C)C#N)CC1 1066240220 XNIGIOOUWVCQFJ-GHMZBOCLSA-N 309.370 -0.428 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC2(CN(C(=O)COC)CCO2)C1 1068273527 ARPNJJURWRZHLQ-LBPRGKRZSA-N 310.350 -0.889 30 20 DBED C=CCCC(=O)N1CC2(C[C@@H](NC(=O)c3cnn(C)n3)CO2)C1 1068920622 DJVSQKYWIUPHQV-LLVKDONJSA-N 319.365 -0.119 30 20 DBED N#Cc1nc(=NC[C@H]2CC[C@H](NC(=O)c3nc[nH]n3)C2)cc[nH]1 1069481830 XSXNJHXLPHHPGE-UWVGGRQHSA-N 312.337 -0.101 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CCCN(C(=O)c2nccnc2N)C1 1070570900 KATDMRIPQYQAJE-VHSXEESVSA-N 302.338 -0.061 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@@H](NC(=O)C(C)(F)F)C1 1070635965 CVQHVRODBOEENR-SNVBAGLBSA-N 315.320 -0.112 30 20 DBED C#CCCCC(=O)N1CCC[C@@H](NC(=O)[C@@H]2CN(C)C(=O)N2)C1 1070668885 OJCUBZOPZHYRIQ-OLZOCXBDSA-N 320.393 -0.079 30 20 DBED C#CCCN1CCNC(=O)CCN(C(=O)c2cncnc2)CC1 1070957711 RVOSDDDMJJBJKR-UHFFFAOYSA-N 315.377 -0.236 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)Cc2ncc[nH]2)CC1 1071010275 DJGVQHWDKUEMRO-UHFFFAOYSA-N 303.366 -0.764 30 20 DBED C=CCN1CC[C@]2(C1)CN(C(=O)c1nnn(C)n1)C[C@H](C)O2 1071196879 JVMFMUQDPRIPFP-FZMZJTMJSA-N 306.370 -0.299 30 20 DBED C#CCOCCC(=O)N[C@H]1CN(C(=O)CC(=O)N(C)C)C[C@@H]1C 1072128963 KORKNGTYKVHOPZ-STQMWFEESA-N 323.393 -0.532 30 20 DBED COCCCC(=O)N1CCN(C2CN(C(=O)[C@@H](C)C#N)C2)CC1 1073542394 SURZVYJMKDRFBV-ZDUSSCGKSA-N 322.409 -0.072 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(C(=O)Cn2ncnn2)C[C@H]1C 1073817016 IZTRYSQJPUUJEK-VXGBXAGGSA-N 322.369 -0.771 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)c2cn(C)nc2[C@@H]2CCOC2)C1 1077457289 JNFFCAIOTQGQSG-MRVWCRGKSA-N 320.393 -0.115 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCCN2C(=O)C(C)C)C1 1078222476 CUOPMIUZGDMDJN-QLFBSQMISA-N 321.421 -0.182 30 20 DBED C#CCN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)c1cn(C)c(=O)nc1O)C2 1079105051 FPMBHFRYNSOGQW-RAIGVLPGSA-N 316.361 -0.298 30 20 DBED C=CCCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2nc[nH]n2)C1 1081653230 LLEOFRUXPGABDM-WDEREUQCSA-N 307.354 -0.290 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H]1CCCCN1C(=O)[C@@H](C)C#N 1082267246 KULJCRIBGLAXJQ-STQMWFEESA-N 318.377 -0.217 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2n[nH]cc2Br)C1 1083869013 JKQLXIHEVUXOTD-BDAKNGLRSA-N 313.155 -0.420 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCCN2C(=O)C(C)C)C1 1084070514 QYBYBZVGQUKJQH-RDBSUJKOSA-N 309.410 -0.019 30 20 DBED C#CCN1CC[C@@H](NC(=O)Cc2cn3c(n2)CCCC3)[C@H](O)C1 1090279508 MDYBLVODVJPEFF-HUUCEWRRSA-N 316.405 -0.054 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2cc3n(n2)CCO3)[C@H](O)C1 1090326781 LIYBYRYBVUSGFV-DGCLKSJQSA-N 304.350 -0.536 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(c2cnc(F)cn2)C[C@H]1O 1090445826 RSKHCKCVTXPBSU-GMTAPVOTSA-N 310.329 -0.128 30 20 DBED CCCN(C)CC(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1O 1090464645 LZRQGPHJICHCIX-CHWSQXEVSA-N 318.381 -0.644 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(c2ncc(Cl)cn2)C[C@H]1O 1090488380 IIZRYFKUBQWUNM-MVWJERBFSA-N 324.768 -0.166 30 20 DBED COC[C@H](OC)C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1C 1090821424 OIFHUAUBTWAZBB-RTXFEEFZSA-N 319.365 -0.049 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1091118314 HOXPIHLRRZZDMD-OLZOCXBDSA-N 317.349 -0.393 30 20 DBED N#Cc1cnc(N[C@H]2C[C@@H](CNC(=O)CCNC(N)=O)C2)cn1 1091346959 AWCJEIVWGUEFOW-AOOOYVTPSA-N 317.353 -0.287 30 20 DBED C=C(Cl)CNC1CC(CNC(=O)[C@H]2CCS(=O)(=O)N2)C1 1091369731 AYZGCSZEOPCVEL-VQXHTEKXSA-N 321.830 -0.085 30 20 DBED C#CCNC(=O)CC(=O)NCCNc1cc(OCC)ncn1 1093558397 SEIAAUSHGSVUGL-UHFFFAOYSA-N 305.338 -0.457 30 20 DBED COCC(=O)N(C)CC(=O)NCCNc1ccc(C#N)nc1 1094190399 INBHVRKRZXBRKY-UHFFFAOYSA-N 305.338 -0.414 30 20 DBED Cc1cc(C(=O)NCc2cn(C3CN(CC#N)C3)nn2)no1 1094271263 QUEVWRJOCRFNRY-UHFFFAOYSA-N 301.310 -0.115 30 20 DBED C=C(C)CN1CC(n2cc(CNC(=O)c3cnnn3C)nn2)C1 1094288035 BUPMPVNUYWOKLS-UHFFFAOYSA-N 316.369 -0.231 30 20 DBED N#Cc1nc(=NCCCNC(=O)CCCCNC(N)=O)cc[nH]1 1094660042 BHLKNGQNUJGMEI-UHFFFAOYSA-N 319.369 -0.473 30 20 DBED C=C(C)CN1CC(N2C[C@@H](NC(=O)Cn3nccn3)CC2=O)C1 1094742055 MZSZKTSNLXWYQH-LBPRGKRZSA-N 318.381 -0.745 30 20 DBED N#Cc1cncc(N[C@@H]2CCN(C(=O)C(=O)NCC3CC3)C2)n1 1095053777 HBLLEMJLIMFLBU-LLVKDONJSA-N 314.349 -0.113 30 20 DBED COC[C@H](OC)C(=O)N1CCC[C@@H](N=c2cc[nH]c(C#N)n2)C1 1095327602 ZHMPPOIXYQCEGQ-NEPJUHHUSA-N 319.365 -0.166 30 20 DBED N#Cc1ccc(N[C@H](CNC(=O)[C@H]2CCC(=O)N2)C2CC2)nn1 1096598256 KSDABEOXQIURRF-VXGBXAGGSA-N 314.349 -0.066 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H]1CC(=O)N(CCOC)C1 1097172058 XZPATSYVDPVARK-YJNKXOJESA-N 319.405 -0.164 30 20 DBED C[C@@H](CNC(=O)[C@H](C)N1CCOCC1)Nc1nccnc1C#N 1097925286 LISCQPCSMDDTNL-RYUDHWBXSA-N 318.381 -0.014 30 20 DBED C[C@@H](CNC(=O)C[C@@H]1CC(=O)NC1=O)Nc1ncccc1C#N 1097943420 DPPLJSCKSIEBNU-GXSJLCMTSA-N 315.333 -0.077 30 20 DBED C[C@H](CCNC(=O)Cn1cnnn1)Nc1cncc(C#N)n1 1098817645 LXWLQFICLNBDEJ-SECBINFHSA-N 301.314 -0.658 30 20 DBED C[C@H](CCNC(=O)[C@@H]1CN(C)C(=O)N1)Nc1ccc(C#N)nn1 1099617440 VGQXCIJEZFOVBE-KOLCDFICSA-N 317.353 -0.321 30 20 DBED CC#CCN1CC[C@H](NC(=O)CNC(=O)N2CCCC2)[C@@H](O)C1 1099833524 XHJBYQSFIMVUHG-KBPBESRZSA-N 322.409 -0.634 30 20 DBED N#CCNC(=O)CN1CC[C@H](NC(=O)[C@@H]2C[C@@H]3C[C@@H]3C2)[C@@H](O)C1 1099952492 URHHXAACWSPAAT-ZSLBOAEBSA-N 320.393 -0.776 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)C(C)(C)S(C)(=O)=O)[C@@H](O)C1 1100021973 FKCBVCSUSQOWLZ-NEPJUHHUSA-N 318.439 -0.063 30 20 DBED CC[C@H](NC(C)=O)C(=O)NCC1CC(NCC(=O)NCC#N)C1 1100694073 KNUCGTLTPFVYHF-BPCQOVAHSA-N 323.397 -0.975 30 20 DBED C#CCCNC1CC(CNC(=O)c2cc(=O)n3[nH]cnc3n2)C1 1100863693 YNHYOBCIGLIWGD-UHFFFAOYSA-N 314.349 -0.461 30 20 DBED C#CCNC(=O)CC(=O)NCCN(CCC)c1ncccn1 1101123846 YZBPACHMZNPIMT-UHFFFAOYSA-N 303.366 -0.051 30 20 DBED CC(=O)NCC(=O)NCCN(c1cnc(C#N)cn1)C1CC1 1101279232 PDLSOJCAMWRCSH-UHFFFAOYSA-N 302.338 -0.431 30 20 DBED CCNC(=O)CC(=O)NCCN(c1ccc(C#N)nn1)C1CC1 1101317970 ZMXZSHJMNPKKEF-UHFFFAOYSA-N 316.365 -0.041 30 20 DBED CN(CCNc1nccnc1C#N)C(=O)[C@H]1CC[C@H]1C(N)=O 1101893223 TZFAJCFECKEKTE-ZJUUUORDSA-N 302.338 -0.270 30 20 DBED CN(C[C@@H]1CCN(C(=O)CNC(N)=O)C1)c1ccnc(C#N)n1 1102427574 ARUIGLWCQBADNG-JTQLQIEISA-N 317.353 -0.699 30 20 DBED CCn1ncc(C(=O)NC[C@@H](C)CN=c2cc[nH]c(C#N)n2)n1 1103929246 STLWEESCMWIIGM-JTQLQIEISA-N 314.353 -0.140 30 20 DBED C#CCNC(=O)CNCC[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1C 1104005262 YAHHPCUJIAZPLK-MGPQQGTHSA-N 304.394 -0.030 30 20 DBED C[C@@H](CNc1cncc(C#N)n1)N(C)C(=O)[C@H]1CCNC1=O 1104765969 AFHORMAETAGXDX-ONGXEEELSA-N 302.338 -0.257 30 20 DBED COC(=O)NCC(=O)NC[C@@H](N=c1cc[nH]c(C#N)n1)C(C)C 1105151962 QJJGMWRKCVZLIC-SNVBAGLBSA-N 320.353 -0.321 30 20 DBED C#CCN1CC(OC2CCN(C(=O)CNC(=O)NC)CC2)C1 1105713534 JDLWXCAUUNQSDJ-UHFFFAOYSA-N 308.382 -0.760 30 20 DBED C[C@@H](C(=O)NC[C@H](O)CNc1cncc(C#N)n1)n1cccn1 1105767091 JLACGEBRBRKTAL-CMPLNLGQSA-N 315.337 -0.305 30 20 DBED Cn1nccc1CC(=O)NC[C@H](O)CNc1cncc(C#N)n1 1105805622 FIXRCOQJIFCTNT-GFCCVEGCSA-N 315.337 -0.787 30 20 DBED COc1nc(C(=O)NC[C@H](O)CNc2cnc(C#N)cn2)co1 1106050682 UEYMXHFFLZZLII-SECBINFHSA-N 318.293 -0.452 30 20 DBED Cc1cc(C#N)nc(NC[C@H](O)CNC(=O)[C@H]2OCC[C@H]2C)n1 1106121984 ORXSFNLTXXXWTM-WQAKAFBOSA-N 319.365 -0.029 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H](O)CNC(=O)CCc1cn[nH]c1 1106131665 HKPPFXSHDJFXCE-CYBMUJFWSA-N 314.349 -0.380 30 20 DBED C[C@@H](CCNc1cnc(C#N)cn1)NC(=O)[C@H]1CCC(=O)N1 1106271892 QQWBVBHMSFAZEO-GXSJLCMTSA-N 302.338 -0.066 30 20 DBED C[C@@H](CCN=c1cc[nH]cc1C#N)NC(=O)[C@@H]1CN(C)C(=O)N1 1106519919 URNOPCCMMIPNDI-GWCFXTLKSA-N 316.365 -0.295 30 20 DBED CC(C)=CC(=O)NC[C@@]1(C)CN(CC(=O)NCC#N)CCO1 1107710323 SUYYRLCIDCHOMH-HNNXBMFYSA-N 308.382 -0.201 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)c2ccnc3[nH]nnc23)C1 1108064545 KASIBJGPRILDFH-HNNXBMFYSA-N 314.349 -0.193 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)c2cn(C)nc2OC)C1 1108113250 HRQOZTDGCJMPCU-OAHLLOKOSA-N 306.366 -0.117 30 20 DBED C[C@]1(CNC(=O)[C@H]2CCc3nncn3C2)CN(CC#N)CCO1 1108415884 OWWNWNHJWZLUFU-WFASDCNBSA-N 318.381 -0.429 30 20 DBED N#CCN1CC(N2C[C@H](NC(=O)CCn3ccnc3)CC2=O)C1 1108559215 PQSXYNYCNOTZTI-GFCCVEGCSA-N 316.365 -0.802 30 20 DBED Cc1cc(C#N)nc(NC[C@H](C)NC(=O)[C@H]2CCNC2=O)n1 1108635284 JNBVRBFKGRQDNL-ONGXEEELSA-N 302.338 -0.291 30 20 DBED C[C@H](CN(C)c1ncccc1C#N)NC(=O)CS(C)(=O)=O 1108837615 YPAXXUHVRFQJEF-SNVBAGLBSA-N 310.379 -0.061 30 20 DBED C[C@@H](CN(C)c1ccncc1C#N)NC(=O)Cn1cnnc1O 1108944322 ACLKNYXWMNYINX-JTQLQIEISA-N 315.337 -0.109 30 20 DBED C[C@@H](CN(C)c1cnc(C#N)cn1)NC(=O)CCn1cnnn1 1109054392 ULQGUXDWXUWVPZ-JTQLQIEISA-N 315.341 -0.634 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](CNc1ccc2nnnn2n1)C1CC1 1109795488 FTRLRZGBTBNNCU-WCBMZHEXSA-N 300.326 -0.014 30 20 DBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C(C)(C)C(N)=O 1110691471 NAEOPPALGNTFPQ-UTUOFQBUSA-N 322.409 -0.478 30 20 DBED C=CCOCC(=O)N[C@]1(C)CCN(c2ccc3nnnn3n2)C1 1110728032 FLBJLTLZGSBVFN-CQSZACIVSA-N 317.353 -0.193 30 20 DBED CCNC(=O)CC(=O)N(CCO)CCNc1cncc(C#N)n1 1111453838 YWHTZKKGFPUQCC-UHFFFAOYSA-N 320.353 -0.893 30 20 DBED N#Cc1cncc(NCC[C@H]2CCN(C(=O)CNC(N)=O)C2)n1 1111594409 XJXDCJRFSNBWQV-JTQLQIEISA-N 317.353 -0.333 30 20 DBED Cc1cc(=N[C@H]2CN(C(=O)CNC(N)=O)C[C@@H]2C)c(C#N)c[nH]1 1112306223 AUTDYTHNKAWKNS-ZANVPECISA-N 316.365 -0.389 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(CC(=O)NC(=O)NC(C)(C)C)CC1 1112711297 WLLSSKLZELWDGH-NSHDSACASA-N 323.397 -0.085 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)[C@H]2CCCCO2)CC1 1112768713 JGOMXQJEBYYRPT-UONOGXRCSA-N 307.394 -0.162 30 20 DBED C#CCO[C@H](C)C(=O)N1CCN(C[C@H]2CCc3ncnn32)CC1 1112846279 KHJXTUDLSFXTOX-ZIAGYGMSSA-N 317.393 -0.052 30 20 DBED COCC#CCN1CCN(C(=O)c2cc(C(N)=O)co2)CC1 1113338692 JPMVAOVGZLNAPY-UHFFFAOYSA-N 305.334 -0.214 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)CSCC#N)[C@H]2C1 1113890429 AHPAZAKTCOYBBG-QWRGUYRKSA-N 308.407 -0.408 30 20 DBED Cc1ncncc1C(=O)NC1[C@H]2CN(CC(=O)NCC#N)C[C@H]12 1113941958 DWGOELRBDZBAAB-RYUDHWBXSA-N 314.349 -0.915 30 20 DBED C#CCCCCC(=O)NC1[C@@H]2CN(CC(=O)NCC#C)C[C@@H]12 1114159676 JVENPNGNNSTTFJ-ZIAGYGMSSA-N 301.390 -0.024 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@@H]2CN(CCCCOC)C[C@@H]12 1114169072 AINRCUIQWSPTLZ-CHWSQXEVSA-N 307.394 -0.401 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)c3ccncc3C)[C@@H]2C1 1114226498 NOVPXCASYGOXRN-ZIAGYGMSSA-N 312.373 -0.201 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)CC3(O)CCC3)[C@H]2C1 1114239989 PJYIDZKLELTTRW-JYAVWHMHSA-N 305.378 -0.913 30 20 DBED C=C(C)CCN1C[C@H]2[C@H](NC(=O)CN(C)S(C)(=O)=O)[C@H]2C1 1114363442 DCGVEZMFTSYQEL-IMRBUKKESA-N 315.439 -0.110 30 20 DBED C=C1CC(C)(C(=O)N[C@H]2[C@@H]3CN(CC(=O)NC(=O)NC)C[C@@H]32)C1 1114811995 AAJDWSCVUHSAEG-PJXYFTJBSA-N 320.393 -0.155 30 20 DBED Cn1nnc(CNC(=O)C(=O)Nc2ccc(C#N)c(F)c2)n1 1117635908 PBXCVWSMLGCXQA-UHFFFAOYSA-N 303.257 -0.524 30 20 DBED C[C@@H](O)CN(C(=O)C(=O)Nc1ccc(C#N)cn1)[C@H](C)CO 1117751894 VNNJDXCXWWITNJ-NXEZZACHSA-N 306.322 -0.518 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CCC[C@H](n2ccnn2)C1 1118176329 OODYUIOFXNLBCC-NEPJUHHUSA-N 307.354 -0.241 30 20 DBED C[C@H](CN(C)C(=O)Cn1nccn1)Nc1ccc(C#N)nn1 1120198591 BHWSVBNSLGHCHZ-SNVBAGLBSA-N 300.326 -0.101 30 20 DBED C[C@H](CN(C)C(=O)[C@H]1CCNC1=O)N=c1cc[nH]c(C#N)n1 1120407114 GVRWMCUJMBMBGT-ZJUUUORDSA-N 302.338 -0.835 30 20 DBED Cc1cc(C(=O)NC[C@@H](CO)N=c2cc[nH]cc2C#N)no1 1121010822 RMNRSQGBLLMVDO-NSHDSACASA-N 301.306 -0.126 30 20 DBED Cn1nncc1C(=O)NC[C@@H](CO)Nc1ncccc1C#N 1121387633 SYLKTQKQLFIXCT-JTQLQIEISA-N 301.310 -0.715 30 20 DBED C=CCn1c(C2=NNC(=O)C2)nnc1N1CCN(C)C(=O)[C@H]1C 1121662896 IIAJOHMLINFHPZ-SECBINFHSA-N 317.353 -0.645 30 20 DBED COC1CC(C(=O)NC[C@@H](CO)Nc2nc(C)cc(C#N)n2)C1 1122177108 KJPNOTFUTMWUCQ-YDGIUTOCSA-N 319.365 -0.029 30 20 DBED CCC[C@@H](OC)C(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1 1122318980 YFACIPKYFMGPMC-WDEREUQCSA-N 307.354 -0.526 30 20 DBED Cc1ncc(C(=O)NC[C@@H](CO)Nc2nccnc2C#N)n1C 1122405642 QWXCWDXLQQLXTG-JTQLQIEISA-N 315.337 -0.407 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C[C@H](O)CNc1nccnc1F 1124520391 SDFNSWGYNYPGQV-WDEREUQCSA-N 310.329 -0.115 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)Cc2cc(C)[nH]n2)C1=O 1125547005 QVNLNSHRYFTYGB-ZDUSSCGKSA-N 305.382 -0.247 30 20 DBED C#CCCCCC(=O)NCCNCC(=O)NC(=O)NCC=C 1125934728 GPQRVYHPIAURFG-UHFFFAOYSA-N 308.382 -0.102 30 20 DBED C=CCCC(=O)N1C[C@H](n2ccnn2)[C@H](N[C@@H](C)C(=O)NC)C1 1129671525 RDDFLUCWZKARTQ-XQQFMLRXSA-N 320.397 -0.280 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)c1ccn(C)c(=O)c1 1130376023 PPZADKYMELJLPG-NSHDSACASA-N 306.366 -0.605 30 20 DBED C#CCN1CC[C@@H](c2n[nH]cc2CNC(=O)CC(=O)NC)C1 1130381128 QOVAOXHPGPDFPN-LLVKDONJSA-N 303.366 -0.416 30 20 DBED C=CCN(CC=C)C(=O)CN1C[C@H](NC(=O)C(N)=O)CC[C@H]1C 1132253564 WGYQFOKTQXPFLN-CHWSQXEVSA-N 322.409 -0.359 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)C[C@@H](C)NCc1ccnn1C 1134131514 XPHCQVIFNBMPCY-CHWSQXEVSA-N 319.409 -0.068 30 20 DBED COCC#CCNCCNC(=O)C1CCS(=O)(=O)CC1 1134663513 MDDFZCSXQRNDOB-UHFFFAOYSA-N 302.396 -0.833 30 20 DBED C#CCNC(=O)CNCCNC(=O)CCc1csc(C)n1 1134703770 ORTOAXQUILVJMB-UHFFFAOYSA-N 308.407 -0.161 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)CCc2cncn2C)C1=O 1149570864 CVSDSNANVSZTDG-AWEZNQCLSA-N 319.409 -0.155 30 20 DBED CC#CCN1CCCO[C@@H](CNC(=O)CCn2ccnn2)C1 1149613970 AJRMSFJCCIUPHJ-AWEZNQCLSA-N 305.382 -0.101 30 20 DBED CCc1ccc(OCC(=O)NCCNCC(=O)NCC#N)cc1 1149818029 JOAATKBNNXXMPX-UHFFFAOYSA-N 318.377 -0.027 30 20 DBED COCC#CCN1CCCO[C@@H](CNC(=O)CN2CCCC2)C1 1150715428 LEXLLHYGFJMBDU-INIZCTEOSA-N 323.437 -0.061 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)NCCNCc1cnn(C)c1 1152398733 HNCQNEJCELUJRX-UHFFFAOYSA-N 322.413 -0.110 30 20 DBED C[C@@H](C#N)C(=O)NCCCNC[C@@H](O)COC1CCOCC1 1155848792 PAJSOMDAUBROJT-QWHCGFSZSA-N 313.398 -0.202 30 20 DBED C#CCO[C@H](C)C(=O)NCCCNC[C@@H]1CCS(=O)(=O)C1 1157869460 MPFSTNILZWXWFG-OLZOCXBDSA-N 316.423 -0.445 30 20 DBED C=CCOCCNCCCNC(=O)[C@H](C)NC(=O)COC 1158637540 LHHRWBAMJGNTJC-LBPRGKRZSA-N 301.387 -0.564 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)CN(C)C(=O)C1CC1 1159218411 SWTRVEYWPRVDEL-LBPRGKRZSA-N 324.425 -0.359 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@H](C)c1cncnc1 1164520074 BKWIJMNNBVTOIN-GFCCVEGCSA-N 305.382 -0.022 30 20 DBED C#Cc1cncc(C(=O)NCCCNCCS(C)(=O)=O)c1 1166298927 BWZRHIBOMPAPBK-UHFFFAOYSA-N 309.391 -0.183 30 20 DBED COCC#CCNCC1(CCNC(=O)c2c[nH]c(=O)cn2)CC1 1166876047 NEFJVSWGXPMXBO-UHFFFAOYSA-N 318.377 -0.091 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1nn(CC)nc1C 1177505255 PSRQSAKWKCBWQJ-UHFFFAOYSA-N 306.370 -0.935 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)C[C@@H]2COC(=O)C2)[C@H]1C 1178467795 PDAXFRTWKHCHDI-AVGNSLFASA-N 321.377 -0.732 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)[C@H](C)CCOC)[C@H]1C 1180172955 GOUNNIKRSRAORA-RDBSUJKOSA-N 309.410 -0.013 30 20 DBED C#CCNC(=O)CNC[C@]1(C)CN(C(=O)CCN(C)C)C[C@H]1C 1182485406 AKXRSWVIAZLBQL-RHSMWYFYSA-N 322.453 -0.238 30 20 DBED C=CCn1cc(C(=O)N2CC[C@@H](CNCC(N)=O)[C@H](C)C2)nn1 1185259165 CJOZMKJVSGHFCB-NEPJUHHUSA-N 320.397 -0.363 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)C23CCN(CC2)C3)C1 1187122462 TXCUWDUVKYYPCP-CYBMUJFWSA-N 306.410 -0.425 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)Cc2ccon2)C1 1191952466 ULHSVISSEGRMNZ-CYZMBNFOSA-N 322.365 -0.931 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)CCc2ncc[nH]2)C1 1192640133 QSIUZARMGVTPTC-CHWSQXEVSA-N 308.382 -0.294 30 20 DBED C=CCCOCCCCC(=O)N[C@@H]1CN(CC(N)=O)C[C@H]1O 1192925193 XHAVIGZCBSFZMT-CHWSQXEVSA-N 313.398 -0.604 30 20 DBED CC(C)(C)NS(=O)(=O)CC(=O)N1CCCN(CC#N)CC1 1198143129 QMUORUVXJRZUTB-UHFFFAOYSA-N 316.427 -0.238 30 20 DBED C=CCCCN1C[C@@H](O)[C@H](NC(=O)c2cncc(C(N)=O)c2)C1 1198714217 MHANEIXWEWYTLO-ZIAGYGMSSA-N 318.377 -0.078 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)C[C@@H]2CCCO2)CC1 1199431722 PLERFNMXDJTBHY-AWEZNQCLSA-N 307.394 -0.115 30 20 DBED COC[C@@H](O)CNC[C@@H]1CN(C(=O)C#CC2CC2)CCCO1 1200452568 JIVHMATYBYRYNH-LSDHHAIUSA-N 310.394 -0.386 30 20 DBED N#CCNC(=O)CNC[C@@H]1CN(C(=O)c2cc[nH]c2)CCCO1 1200563400 QAHRIACQIDTGRV-CYBMUJFWSA-N 319.365 -0.525 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2C)CCCO1 1201186432 IYLXRISQADJSGZ-KGLIPLIRSA-N 307.394 -0.162 30 20 DBED CCC[C@@H](NC(N)=O)C(=O)N1CCCO[C@@H](CNCC#N)C1 1201952009 GUOVBYAYLDCHGU-NWDGAFQWSA-N 311.386 -0.446 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)[C@@H]2CCC(=O)N2C)CC1 1202061894 IBTIRLLMMSBHJI-ZDUSSCGKSA-N 322.409 -0.510 30 20 DBED N#CCNC(=O)CN[C@H]1C[C@H](NC(=O)c2ncc[nH]2)C12CCC2 1202855480 HTVHCHYZWCSOAX-QWRGUYRKSA-N 316.365 -0.320 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@H]1CCCN(C(=O)c2cn(C)nn2)C1 1207974676 JCGKOHVGOQBJBC-NEPJUHHUSA-N 320.397 -0.300 30 20 DBED CCN(C)CCC(=O)N[C@@H]1CN(CC#CCOC)C[C@H]1OC 1213676157 SOYRHULPBMROSA-HUUCEWRRSA-N 311.426 -0.207 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H](C)NC(=O)CC 1217987579 PBOJLYNBJVNFQP-MELADBBJSA-N 307.394 -0.164 30 20 DBED CC[C@@H](SC)C(=O)N[C@@H]1CN(CC#CCOC)C[C@@H]1O 1219475012 YJHUMFBJBDKNEU-FRRDWIJNSA-N 300.424 -0.061 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2cc(C)cs2)C1 1219567927 LLEQMFURIMOGNE-NEPJUHHUSA-N 321.402 -0.419 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@]2(C)CC=CCC2)C1 1219685922 ADWVMJJJFCFVQE-KEYYUXOJSA-N 319.405 -0.357 30 20 DBED COCC#CCN1CCC(NC(=O)c2c[nH]c(=O)cn2)CC1 1228864688 PECGLPMPPOOZRM-UHFFFAOYSA-N 304.350 -0.386 30 20 DBED COCC#CCN1CCC(NC(=O)c2cn(C)c(O)n2)CC1 1228991633 INRVEOQRIUAUAL-UHFFFAOYSA-N 306.366 -0.030 30 20 DBED C=CCO[C@H](C)C(=O)NC1CCN([C@H]2CCC(=O)NC2=O)CC1 1230407811 ZESGQZIBHOHVAI-YPMHNXCESA-N 323.393 -0.037 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)c2[nH]cnc2C)CC1 1230466624 GSVYBKPRJJOQLT-UHFFFAOYSA-N 303.366 -0.338 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)c1cc(C)nn1C 1230906776 HNNIXPYRPMGDLM-ZDUSSCGKSA-N 317.393 -0.376 30 20 DBED CN(C[C@@H]1CCN1CC(=O)NCC#N)C(=O)Cc1ccoc1 1233874199 WKAOPZGIOZDONA-ZDUSSCGKSA-N 304.350 -0.005 30 20 DBED C#CCOCCC(=O)N(C)C[C@H]1CCN1CCN1CCNC1=O 1234247041 VLQZPPOZCKDXBY-CQSZACIVSA-N 322.409 -0.416 30 20 DBED C#CCCCNC(=O)C(=O)NC[C@@H]1CC[C@@H](C(=O)N(C)C)O1 1324827369 VJTBTDHZTKHQLY-RYUDHWBXSA-N 309.366 -0.732 30 20 DBED C[C@@H]1CN(C(=O)C(=O)N2CCC[C@](C)(C#N)C2)C[C@@H](CO)O1 1325064004 FREOKNPDJHLZEC-TYNCELHUSA-N 309.366 -0.253 30 20 DBED CC#CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(CC(N)=O)cc1 1326833601 BJCLQJNBNLUAHA-ZDUSSCGKSA-N 317.345 -0.457 30 20 DBED C#CCNC(=O)[C@H](C)n1cnc2nc(C)c(CCO)c(=O)n21 1328991365 UYHSLKRJEPJAMB-JTQLQIEISA-N 303.322 -0.955 30 20 DBED C=C(C)CN(C)C(=O)C(=O)NCCCN(C)S(C)(=O)=O 1331301037 BEEQJCQJMSEYLV-UHFFFAOYSA-N 305.400 -0.581 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N(C[C@H](C)O)C1CC1 1333011603 CZFGQOFNALHSNO-JTQLQIEISA-N 318.395 -0.925 30 20 DBED C=CC[C@H](CC)NC(=O)C(=O)NCCS(=O)(=O)NC(C)C 1345555972 XKGSWFNSCYBZFO-NSHDSACASA-N 319.427 -0.099 30 20 DBED COC1([C@H](C)NC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)CCC1 1345891563 AMTITZSTVXCCAA-FZMZJTMJSA-N 309.366 -0.063 30 20 DBED CC(=O)N1CCN(C(=O)C(=O)Nc2cccc(C#N)n2)CC1 1349138988 RPOVGWOROALDSB-UHFFFAOYSA-N 301.306 -0.418 30 20 DBED COC(=O)c1cnn(CC(=O)NC2CCN(CC#N)CC2)c1 1351704053 IMEQNJFWEZCSFN-UHFFFAOYSA-N 305.338 -0.226 30 20 DBED CO[C@@H](CNC(=O)Cn1cc(C#N)c(O)nc1=O)C(F)(F)F 1362267687 GHKLQWZPXVMMPO-ZETCQYMHSA-N 320.227 -0.486 30 20 DBED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)[C@H](C#N)C1 1362461739 IIMDCOBKJRMINA-CHWFTXMASA-N 322.365 -0.017 30 20 DBED CCC[C@@]1(NC(=O)Cn2cc(C#N)c(O)nc2=O)CCOC1 1362525830 GWEDLCPMIYYQMM-CQSZACIVSA-N 306.322 -0.104 30 20 DBED N#Cc1cn(CCC(=O)N2CCn3ccnc32)c(=O)nc1O 1363205295 QCNPMOQECNOTTC-UHFFFAOYSA-N 300.278 -0.546 30 20 DBED N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)CNC(=O)C1CC1 1363562689 UNJFKMQNBFVQOQ-UHFFFAOYSA-N 318.337 -0.417 30 20 DBED N#CCC1(O)CN(C(=O)Nc2csc(S(N)(=O)=O)c2)C1 1364170094 YRQHOBFBOUPJNP-UHFFFAOYSA-N 316.364 -0.112 30 20 DBED COC[C@@]1(CO)CCN(C(=O)NCCn2cnc(C#N)n2)C1 1364607001 LMMINESERYBAMF-ZDUSSCGKSA-N 308.342 -0.810 30 20 DBED COC(=O)[C@H]1C[C@@H](O)CN(C(=O)Nc2nn(C)cc2C#N)C1 1365041704 YSXQYWPJPQPALM-WCBMZHEXSA-N 307.310 -0.321 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CCN(C(=O)Cn2ccccc2=O)C1 1372013861 PATPBNUZJXZKJK-VXGBXAGGSA-N 302.334 -0.275 30 20 DBED C[C@H](CNC(=O)CCc1cnn[nH]1)NC(=O)c1cc(C#N)c[nH]1 1376836701 ZJOYPUOPNYHUAX-SECBINFHSA-N 315.337 -0.128 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(CCNC(=O)[C@@H]2CCCOC2)CC1 1396878533 OMESHPQGXWQJOJ-UONOGXRCSA-N 322.409 -0.167 30 20 DBED CCN(CCNC(=O)[C@H]1CCN(C)C(=O)C1)C(=O)[C@@H](C)C#N 1408764320 JESITSWWKHCRAF-RYUDHWBXSA-N 308.382 -0.021 30 20 DBED CC(=O)N1CC(C(=O)NC[C@@H](C)NC(=O)c2c[nH]c(C#N)c2)C1 1410190313 OZQBBUGYEDGATJ-SECBINFHSA-N 317.349 -0.401 30 20 DBED CCN1CCCN(C(=O)Cn2cc(C#N)c(O)nc2=O)[C@H](C)C1 1413061458 RWCMXVGEGAKLAF-LLVKDONJSA-N 319.365 -0.237 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)CCc2cn[nH]c2)C1 1413970446 OSBQWCXWGCMZBK-YUSALJHKSA-N 305.338 -0.810 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1C[C@H](NC[C@H](O)Cn2cccn2)C1 1417781779 NPDWPMGRUSSFPB-XUXIUFHCSA-N 305.382 -0.112 30 20 DBED COc1ccccc1CNC(=O)Cn1c(=O)[nH]cc(C#N)c1=O 1421411543 VRSUJPXGADYZMU-UHFFFAOYSA-N 314.301 -0.267 30 20 DBED CCN(CCNC(=O)[C@H](C)C#N)C(=O)[C@@H]1CCCS1(=O)=O 1431686736 DCTIUBQJHJUKIL-MNOVXSKESA-N 315.395 -0.312 30 20 DBED COCCn1ccc(NC(=O)Cn2cc(C#N)c(O)nc2=O)n1 1442850094 WNFQRWYOVJXECS-UHFFFAOYSA-N 318.293 -0.698 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)CCn2cccn2)C1 1452627677 ZIIOYUYAJSWYLA-QJPTWQEYSA-N 305.338 -0.879 30 20 DBED CO[C@@H](C)C(=O)N1CCC(N(CCO)C(=O)[C@H](C)C#N)CC1 1490153313 XDMIVEOLMHLUMO-NEPJUHHUSA-N 311.382 -0.007 30 20 DBED C[C@H](C#N)C(=O)N(C)CCN1CCN(C(=O)[C@@H]2CCOC2)CC1 1497858419 PSBLMYAJOIXFCZ-ZIAGYGMSSA-N 322.409 -0.215 30 20 DBED CCOCCCn1c(CCO)nnc1N1CCO[C@H](C#N)C1 1524644343 MCIHVHGXVSMZEL-GFCCVEGCSA-N 309.370 -0.032 30 20 DBED C#CC[C@H](NS(=O)(=O)[C@H]1CC[C@@H](C(=O)O)C1)C(=O)OC 1573304061 YGMLEUJWMRZLSO-UTLUCORTSA-N 303.336 -0.276 30 20 DBED C=C(Cl)C[C@H](NC(=O)C[C@H](NC(C)=O)C(N)=O)C(=O)O 1573306698 DCRLLDXMKAQEGC-YUMQZZPRSA-N 305.718 -0.922 30 20 DBED C#CCNC(=O)C1CCN(Cc2cn(CC(=O)O)nn2)CC1 1573311810 YXPZIULEXROUEZ-UHFFFAOYSA-N 305.338 -0.676 30 20 DBED CCN(CCC#N)S(=O)(=O)NC[C@]1(C(=O)O)CCCOC1 1573770842 BCXUSSHQZAQTBB-GFCCVEGCSA-N 319.383 -0.062 30 20 DBED N#Cc1cn(CC(=O)N(CC(=O)O)C2CCC2)c(=O)nc1O 1574249356 VPLKSHZJCJKDLU-UHFFFAOYSA-N 306.278 -0.714 30 20 DBED CN1CCO[C@@H](CSc2cnc(C#N)c(-c3nn[nH]n3)n2)C1 1579377938 BHVOBLVLUYYGCR-MRVPVSSYSA-N 318.366 -0.049 30 20 DBED N#Cc1nc(NC[C@@H](O)COCC2CC2)cnc1-c1nn[nH]n1 1581880211 CTWYOFMWSFUYPZ-SECBINFHSA-N 316.325 -0.272 30 20 DBED C#CC1(O)CN(C(=O)c2ncc(-c3nn[nH]n3)cc2Cl)C1 1588333164 DXWNTIMSARVRBJ-UHFFFAOYSA-N 304.697 -0.265 30 20 DBED C=C(C)CCNC[C@@H](O)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 1588424853 OSTJVQMUYZMKOH-LLVKDONJSA-N 319.369 -0.159 30 20 DBED C#CCN1CCC(C(=O)N2CC(=O)N(C)C[C@@H]2C(=O)O)CC1 1588471460 PFLQCGMDWOTNEC-GFCCVEGCSA-N 307.350 -0.915 30 20 DBED C=CCOC[C@@H](NC(=O)Cn1nc2n(c1=O)CCCC2)C(=O)O 1588856041 AAHBPFDQZKOLAD-SNVBAGLBSA-N 324.337 -0.847 30 20 DBED CCO[C@@H]1COC[C@H]1Nc1cnc(C#N)c(-c2nn[nH]n2)n1 1590821427 IOMLFJZZLQKUSC-RKDXNWHRSA-N 302.298 -0.256 30 20 DBED Cc1[nH]nc(NC(=O)CN2CCC[C@@H](C(=O)O)C2=O)c1C#N 1600672075 QDZBNVYWDVHVSH-MRVPVSSYSA-N 305.294 -0.149 30 20 DBED Cc1nc(C#N)c(-c2nn[nH]n2)n1Cc1cn(C)nc1[N+](=O)[O-] 1606023722 DUKCVROCZFBTPZ-UHFFFAOYSA-N 314.269 -0.067 30 20 DBED C#CCNC(=O)CSc1nc(N)c(-c2nn[nH]n2)cc1C#N 1609021373 VDMPEEOORZCLII-UHFFFAOYSA-N 314.334 -0.443 30 20 DBED C[C@@H](C(=O)N(C)CCC#N)N1CC[C@H](n2cc(C(=O)O)nn2)C1 1609631826 RDSPBUIZKYFCBY-QWRGUYRKSA-N 320.353 -0.016 30 20 DBED CN1CCN(S(=O)(=O)CC2(C#N)CCC2)C[C@H](C(=O)O)C1 1610137308 AHYACHSNPQXZPV-LLVKDONJSA-N 315.395 -0.042 30 20 DBED C[C@]1(C(=O)N[C@H]2CCN(CC(=O)NCC#N)C2)CCCOC1 1698548614 VYVHBXPNGJLZHW-WFASDCNBSA-N 308.382 -0.367 30 20 DBED C#CCNC(=O)CN1CCC[C@H](NC(=O)[C@H]2CCCCO2)C1 1713796304 CIKZNKDEFHTLAZ-UONOGXRCSA-N 307.394 -0.115 30 20 DBED C=CCCN1CCC[C@@H](CNC(=O)Cn2cnc(C(N)=O)n2)C1 1752783650 MEUCQNSMHDLLSP-LBPRGKRZSA-N 320.397 -0.219 30 20 DBED C#CCOCCC(=O)N1CC[C@H](CNCC(=O)NC2CC2)C1 1752937849 CPLJBYHMTYWULL-CYBMUJFWSA-N 307.394 -0.257 30 20 DBED C#CCNC(=O)CNCCN(C)C(=O)[C@@H]1CCn2cncc2C1 1753203973 GKMNKUYCVUYJSV-CYBMUJFWSA-N 317.393 -0.757 30 20 DBED C#CCCN1CC(NC(=O)CNS(=O)(=O)CCCC)C1 1753391730 CANYYPFTCQOHJY-UHFFFAOYSA-N 301.412 -0.470 30 20 DBED CC#CCNC[C@@](C)(NC(=O)[C@H](C)NS(C)(=O)=O)C1CC1 1753525267 VUKLBJHQXASMBQ-SMDDNHRTSA-N 315.439 -0.178 30 20 DBED COCC(=O)NCc1ccc(CNCC(=O)NCC#N)cc1 1753588310 IPQDGKHAGOPNJI-UHFFFAOYSA-N 304.350 -0.321 30 20 DBED C=CCNC(=O)NC(=O)CN(C)CCN(C)C(=O)c1cocn1 1753850457 XWIIDINHBIHNQM-UHFFFAOYSA-N 323.353 -0.310 30 20 DBED C=CCn1cc(C(=O)NC[C@@H](O)CNCc2ocnc2C)nn1 1753930806 UVTAROXFBYLDHT-NSHDSACASA-N 320.353 -0.359 30 20 DBED N#CCNC(=O)CNC/C=C/CNC(=O)c1ccc(C#N)[nH]1 1754111958 CMWUJEWCEBNWEY-OWOJBTEDSA-N 300.322 -0.598 30 20 DBED C[C@H](NC(=O)CNC[C@@H](C)NC(=O)C#CC1CC1)C(=O)N(C)C 1754226230 DZGYQEPHXWDUBP-NEPJUHHUSA-N 322.409 -0.913 30 20 DBED Cc1ncc(CC(=O)N[C@]2(C)CCN(CC(=O)NCC#N)C2)o1 1754675654 SHTSUVQGRFGPLN-OAHLLOKOSA-N 319.365 -0.254 30 20 DBED C#CCCN1CC[C@](O)(CNC(=O)C(=O)Nc2cc(C)on2)C1 1754762605 TYJFMSCMTZAMQP-HNNXBMFYSA-N 320.349 -0.502 30 20 DBED C#CCN1CC(O)(CNC(=O)C2(n3cnnn3)CCCCC2)C1 1754771723 KPALOYULCWGKOX-UHFFFAOYSA-N 318.381 -0.871 30 20 DBED CC#CCNC1CCN(CCNC(=O)c2ccc(O)nn2)CC1 1754847670 UMDLBBKAWPGZRG-UHFFFAOYSA-N 317.393 -0.011 30 20 DBED C=CCOCCN1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1ncnn1 1754865287 JLMQZZCBEGRCDW-ZIAGYGMSSA-N 320.397 -0.059 30 20 DBED C=CCNCC[C@H]1CCN(C(=O)CNS(=O)(=O)CC)C1 1754917353 NLQMOLFNETXMGW-LBPRGKRZSA-N 303.428 -0.060 30 20 DBED N#CCNC(=O)CNCC[C@H]1CCN(C(=O)Cc2ncc[nH]2)C1 1754936435 HPKNJMATKAZYCM-LBPRGKRZSA-N 318.381 -0.580 30 20 DBED C#CCNC(=O)CN1CC([C@@H](C)NC(=O)[C@@H](C)NC(=O)CC)C1 1755376795 KBCVVLHDPSVCHD-VXGBXAGGSA-N 322.409 -0.913 30 20 DBED C#CCNC(=O)CN1C[C@H]2C[C@H](NC(=O)COC)CC[C@H]2C1 1755449562 HCOXQQIVHVCMHN-BFHYXJOUSA-N 307.394 -0.401 30 20 DBED COCC#CCN[C@@H](CO)CNC(=O)[C@H]1CCc2n[nH]cc2C1 1755643155 FZOCYRZNAIFZKH-GXTWGEPZSA-N 320.393 -0.769 30 20 DBED N#CCNC(=O)CNC[C@@H]1CC[C@H](NC(=O)Cn2cccn2)C1 1755727986 BLHNYRAJTSVCOJ-OLZOCXBDSA-N 318.381 -0.603 30 20 DBED COCC#CCNC[C@H]1CC[C@H](NC(=O)CNC(=O)OC)C1 1755731078 QXADOCXBAKYVIE-STQMWFEESA-N 311.382 -0.133 30 20 DBED C[C@H](NC(=O)CSCC#N)[C@H](C)NC(=O)c1c[nH]c(=O)cn1 1755963323 AMSOWPVEUSCGLA-IUCAKERBSA-N 323.378 -0.350 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@H](CO)NC(=O)c1cc(C)on1 1756515922 RMQUIBHTWDSFPV-HZMBPMFUSA-N 311.338 -0.483 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCN(C(=O)CCNC(N)=O)[C@H]1C 1756565823 NMVJKPPARDNLJA-NWDGAFQWSA-N 324.381 -0.810 30 20 DBED C#CCCCCCC(=O)N[C@@H]1CN(C(=O)CC(=O)NC)C[C@@H]1O 1757199645 XWBCLYXNHBIYRP-OLZOCXBDSA-N 323.393 -0.606 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H]1CCN(C(=O)CNC(C)=O)[C@@H]1CC 1757442942 SMIACXMQYJXWFR-FPMFFAJLSA-N 323.393 -0.344 30 20 DBED CC[C@H](C)[C@@H](O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C#CC(=O)O 1847842540 MSZVNPGKTSQQRN-JUFZMCDQSA-N 322.361 -0.317 30 20 DBED N#Cc1ccccc1OCC(=O)OCC(=O)N1CCNC(=O)C1 28211907 XMGFBXWMTAKVIV-UHFFFAOYSA-N 317.301 -0.561 30 20 DBED CN(C)S(=O)(=O)N1CCN(C(=O)CSCC#N)CC1 41825021 NCSCSECRBLYYKX-UHFFFAOYSA-N 306.413 -0.806 30 20 DBED CCNC(=O)N1CCN(CC(=O)N(CCC#N)CCC#N)CC1 109746664 RZZIUFPSOFSFIP-UHFFFAOYSA-N 320.397 -0.011 30 20 DBED COC1(CNc2c(C#N)c(=O)n(C)c(=O)n2C)CCOCC1 120536361 IQDPNYVNLOYUNV-UHFFFAOYSA-N 308.338 -0.437 30 20 DBED CN(CCC#N)S(=O)(=O)N1CC(=O)N[C@H]2CCCC[C@@H]21 128511524 OMRBRNKJFGZCLR-QWRGUYRKSA-N 300.384 -0.180 30 20 DBED C=C(C)C/N=C(\NCC(=O)N(C)C)N[C@@H]1CCc2ncnn2C1 262294008 LYCYGFBDOHLWLY-GFCCVEGCSA-N 319.413 -0.208 30 20 DBED N#C[C@@H]1CN(C(=O)CCN2C(=O)NC3(CCCC3)C2=O)CCO1 264487022 NADCSHRQILFUCZ-LLVKDONJSA-N 320.349 -0.008 30 20 DBED C[C@]1(C2CC2)NC(=O)N(CC(=O)N2CCOC[C@@H]2C#N)C1=O 266230162 SVZLWMASYZGVHV-IINYFYTJSA-N 306.322 -0.542 30 20 DBED CN(c1c(C#N)c(=O)n(C)c(=O)n1C)C1CCC(CO)CC1 268244479 FHCBKTWAXDZTCR-UHFFFAOYSA-N 306.366 -0.057 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(C)C[C@H]2CCC[C@@H]2O)C1=O 270165992 ZGOPSWBWUNVHSQ-MNOVXSKESA-N 323.349 -0.417 30 20 DBED CS(=O)(=O)N1CCN(C(=O)c2cccc(C#CCO)c2)CC1 315583032 OUIUTWGMIISSQW-UHFFFAOYSA-N 322.386 -0.252 30 20 DBED CC1(C)COCCN1CC/N=C(/O)NC[C@@]1(O)CCOC1 328848061 QXUCIIIJNANBRM-AWEZNQCLSA-N 301.387 -0.248 30 20 DBED C[C@H](/C(O)=N/C1CC1)N1CCN(S(=O)(=O)C2COC2)CC1 330202712 ZQTXHXFWTVCIHR-SNVBAGLBSA-N 317.411 -0.160 30 20 DBED Cn1ncc2c1CCC[C@H]2N/C(O)=N/CCS(N)(=O)=O 330397183 KUMGCAKQQOTQRX-SECBINFHSA-N 301.372 -0.410 30 20 DBED CCN(C)C(=O)[C@@H](C)/N=C(/O)N1CC(=O)N(CCOC)C1 330398807 QPBNDYRQKZSHKH-SNVBAGLBSA-N 300.359 -0.485 30 20 DBED C=CCN(C(=O)[C@@H](C)NS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 330476031 UMUJMBKKFRNNGM-ZJUUUORDSA-N 324.424 -0.874 30 20 DBED C[C@@H](O)C(=O)N1CCN(CC(=O)N/C(O)=N/C(C)(C)C)CC1 330565679 KXPAYAZJTMHCDK-SNVBAGLBSA-N 314.386 -0.660 30 20 DBED CN(C)/C(O)=N/CCNC(=O)C1(S(C)(=O)=O)CCCC1 330702809 IBRNZLMZBFOCRS-UHFFFAOYSA-N 305.400 -0.064 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N1CC(OCC(=O)N(C)C)C1 332053797 OABWIWKMBZLDGO-SNVBAGLBSA-N 318.399 -0.746 30 20 DBED C=CCN1CC[C@@H](N2CC[C@@H](S(=O)(=O)NCC)C2)C1=O 332373850 DMAVNDDYZVAIBX-VXGBXAGGSA-N 301.412 -0.213 30 20 DBED C[C@H]1CN(C(=O)Cn2cnc(C#N)n2)C[C@]2(CCCOC2)O1 333260822 MAXFBFOQQZTQAF-FZMZJTMJSA-N 305.338 -0.054 30 20 DBED CCOC(=O)[C@@H](C)CNS(=O)(=O)N(CCC#N)CCOC 336893173 KXYQNMUFDIOBAH-NSHDSACASA-N 321.399 -0.118 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)NC[C@@H]1CCCCS1(=O)=O 336934727 DWDHUUDYXHYJNV-MNOVXSKESA-N 323.440 -0.120 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)NCCC(=O)N1CCOCC1 337789332 ALGDDSYDFFIXGM-LLVKDONJSA-N 318.399 -0.696 30 20 DBED N#Cc1ccncc1C(=O)N1CCN(CC(=O)NC2CC2)CC1 341106193 VVWWNMUQYPOHMU-UHFFFAOYSA-N 313.361 -0.010 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccc(O)nc2)C1=O 346311004 FULZCUKYTKEDQF-UHFFFAOYSA-N 318.289 -0.620 30 20 DBED N#Cc1ccc(S(=O)(=O)NCC(=O)Nc2cc[nH]n2)cc1 353288811 CBPUHSBQLVOPRI-UHFFFAOYSA-N 305.319 0.198 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 354776736 CJTDDWJTSIGGBD-RYUDHWBXSA-N 315.395 -0.201 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCN[C@H](C)C2)CC1 358866872 SAZXHAHOMSZGIV-KGLIPLIRSA-N 308.426 -0.179 30 20 DBED C=CCOC[C@H]1NC(=O)N(CC2CN(S(C)(=O)=O)C2)C1=O 359192463 WHQLTUIMKZVDPE-SNVBAGLBSA-N 317.367 -0.999 30 20 DBED N#Cc1ccc(-n2ccc(NC(=O)NC(CO)CO)n2)c(F)c1 360409435 WKXDLJIKAMODME-UHFFFAOYSA-N 319.296 0.358 30 20 DBED N#Cc1c(N2CCN(S(N)(=O)=O)CC2)ncc2c1CCC2 425208989 OEQOAGDTKROCRC-UHFFFAOYSA-N 307.379 -0.233 30 20 DBED CCOCCS(=O)(=O)NCC(=O)N[C@]1(C#N)CC1(C)C 427890078 IQQFEPYJUGMWAV-LBPRGKRZSA-N 303.384 -0.249 30 20 DBED CCNC(=O)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N 443103037 QLRWIZCHYYVRGP-UHFFFAOYSA-N 312.307 -0.119 30 20 DBED C#CCNC(=O)CCN1CC[S@](=O)C[C@@H]1c1cnn(C)c1 491165690 MYBKMJHDDRUQAK-ASSNKEHSSA-N 308.407 -0.335 30 20 DBED C#CCN(C)C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 491664276 SGXBGZVMNGJWHC-LBPRGKRZSA-N 317.411 -0.251 30 20 DBED C#CCN(C)CCCNC(=O)CN(C)C(=O)[C@@H](C)n1cccn1 491731028 FUMSQCQYQUMXET-CQSZACIVSA-N 319.409 -0.026 30 20 DBED C#CCn1ccc(CN(CC)C(=O)CN2C(=O)CN(C)C2=O)n1 491777562 GWKHUSPYNWXXKA-UHFFFAOYSA-N 317.349 -0.241 30 20 DBED CS(=O)(=O)N1CC(CNC(=O)COc2ccc(C#N)cc2)C1 492647750 FDFFWXJNXSOMAF-UHFFFAOYSA-N 323.374 -0.055 30 20 DBED COC(=O)N1CCN(S(=O)(=O)N(C)[C@@H](C)CC#N)CC1 497049449 YCEGVSSFVFRLPK-JTQLQIEISA-N 304.372 -0.151 30 20 DBED COCC(=O)N(C)CC(=O)N(C)CCCc1[nH]nc(N)c1C#N 538255292 MWAYOOIYXPHXMT-UHFFFAOYSA-N 322.369 -0.641 30 20 DBED Cc1cc(NC(=O)C(=O)N(C[C@H](O)CO)C(C)C)ncc1C#N 576766627 SFVIHISBXKGNKC-LBPRGKRZSA-N 320.349 -0.210 30 20 DBED N#Cc1ccc(S(=O)(=O)CCN2CC[C@@H](CC(N)=O)C2)nc1 588975676 FJBUIYMGPQUDAW-NSHDSACASA-N 322.390 -0.076 30 20 DBED CC#CC[C@@H](CO)NC(=O)Nc1ncn(CC(=O)OCC)n1 592265245 VCWXTAFEKIZURF-JTQLQIEISA-N 309.326 -0.263 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)NCc1nc(C(N)=O)cs1 594860653 AAEZRYJZHCQPFU-ZETCQYMHSA-N 317.396 -0.190 30 20 DBED CS(=O)(=O)N[C@H]1CCCN(S(=O)(=O)CCCC#N)C1 609541734 LRNKIKHWEPXLGK-JTQLQIEISA-N 309.413 -0.366 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)c1ccc(=O)n(CC)n1 732369687 IQESWYAJLRMHBM-UHFFFAOYSA-N 308.294 -0.568 30 20 DBED C=CCN1C(=O)c2ccc(C(=O)N[C@H](CO)C(=O)O)cc2C1=O 736106382 BPLYAORSHOUGBJ-LLVKDONJSA-N 318.285 -0.356 30 20 DBED C#CCN1CCN(C(=O)CN2CCC(NC(C)=O)CC2)CC1 748816298 RLVNIYCEEUKFLI-UHFFFAOYSA-N 306.410 -0.636 30 20 DBED C#CCNS(=O)(=O)N1CCN(CC(=O)OCCCC)CC1 761032222 GLDGBIFHMRBDBX-UHFFFAOYSA-N 317.411 -0.585 30 20 DBED N#CCNC(=O)COC(=O)CN1CCc2ccccc2C1=O 789279081 SWGFSADTRLSJFV-UHFFFAOYSA-N 301.302 -0.132 30 20 DBED C#CCCS(=O)(=O)NC(=O)c1cn(C)nc1-c1cnn(C)c1 810778758 LCFWUNNUEVIPJU-UHFFFAOYSA-N 321.362 -0.097 30 20 DBED N#Cc1cccc(C(=O)OCC(=O)NCC(=O)N2CCCC2)n1 811254084 ZKZBGGLXMLOQOH-UHFFFAOYSA-N 316.317 -0.151 30 20 DBED Cn1c(N)c(C(=O)COC(=O)CCCC#N)c(=O)n(C)c1=O 812619136 YRQIFHNGPIGKNV-UHFFFAOYSA-N 308.294 -0.914 30 20 DBED CC(=NNC1=NC(=O)C(=O)N1)c1cc2c(cc1[N+](=O)[O-])OCO2 814890229 RLWIHIHSFYIDLC-UHFFFAOYSA-N 319.233 -0.351 30 20 DBED Cn1c(=O)n(CC(=O)NS(=O)(=O)CCC#N)c2ccccc21 821583828 IVTGPGGVXSFLCQ-UHFFFAOYSA-N 322.346 -0.300 30 20 DBED C=CCOC[C@H](NC(=O)/C=C1\SCC(=O)N1C)C(=O)OC 822622226 CGODTSHYVQQIJH-TXEUWIOXSA-N 314.363 -0.107 30 20 DBED C=CCn1cc(C(=O)O[C@H](C)C(=O)NC(=O)NC2CC2)nn1 830135474 FWASZAVBLKGMSK-MRVPVSSYSA-N 307.310 -0.002 30 20 DBED COC(=O)[C@@H]1CN(C(=O)C(=O)Nc2cnn(CC#N)c2)C[C@H]1C 832498136 VFQMDYZKXCRZJE-MWLCHTKSSA-N 319.321 -0.387 30 20 DBED N#C[C@@H]1CNC[C@H]1NC(=O)Cn1nc(-c2ccccc2)oc1=O 834499740 MESIRWKVHUNXKZ-VXGBXAGGSA-N 313.317 -0.269 30 20 DBED CCn1c(=O)cc(Cl)n(C[C@H](O)CN(C)CCC#N)c1=O 840756460 BQRABPCPPFGSJY-SNVBAGLBSA-N 314.773 -0.110 30 20 DBED N#Cc1cccnc1NCCOC(=O)[C@@H]1CCS(=O)(=O)N1 845457821 DYKFJZSCEHUOAL-JTQLQIEISA-N 310.335 -0.400 30 20 DBED Cn1cc(N2CCN(C(=O)C#CC3CCNCC3)CC2=O)cn1 852843373 WLJQFMZELBRSBW-UHFFFAOYSA-N 315.377 -0.402 30 20 DBED COC[C@H](CS(=O)(=O)N1CCN(C2CC2)[C@@H](C#N)C1)OC 881884037 AWKYDJXYOQRKKI-QWHCGFSZSA-N 317.411 -0.350 30 20 DBED N#CCCN1CCN(C(=O)NCCCN2CCNCC2)CC1 891968501 MBGITMSHSFIHQW-UHFFFAOYSA-N 308.430 -0.477 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2C[C@H](C)CO2)CC1 896180704 FLWMOUAHLZLKFK-KBPBESRZSA-N 307.394 -0.305 30 20 DBED CNC(=O)[C@H](C#N)C(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1 917002623 LYWOPAZAVKLNSO-ZYHUDNBSSA-N 313.317 -0.439 30 20 DBED CN(C)[C@H]1[C@@H]2CN(CC#CCN3C[C@H]4[C@H](N(C)C)[C@H]4C3)C[C@@H]21 931280634 IKHDDWAXJYTXMI-HKCPWHJYSA-N 302.466 -0.027 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)c2cn(C)c(=O)n2C)C1 938139111 ZZQXIBJBUITOPW-UWVGGRQHSA-N 305.338 -0.786 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cnn(C)n2)C1 938860669 MJDAENGBCJUXMK-LOWVWBTDSA-N 319.365 -0.263 30 20 DBED O=C1CC[C@H](C(=O)NC[C@H]2CCCN2C(=O)C#CC2CC2)N1 944007847 PXFVYCLMHUIKJO-CHWSQXEVSA-N 303.362 -0.214 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)c2ccncn2)C1 944734618 RTYYCBOKPWEZEO-QWRGUYRKSA-N 303.322 -0.407 30 20 DBED CC[C@@H]1CN(C(=O)C(N)=O)CC[C@@H]1NC(=O)c1cc(C#N)c[nH]1 948524079 BXSQLXQRZUJKQM-MNOVXSKESA-N 317.349 -0.271 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H]2CNC(=O)[C@@H]2CCOC2)nn1 949041658 FYMSLZHGOCPRFL-NEPJUHHUSA-N 319.365 -0.169 30 20 DBED Cc1nn[nH]c1C(=O)N1CC[C@H]1CNC(=O)c1ccc(C#N)[nH]1 949450330 YZABFPQMWJENSD-JTQLQIEISA-N 313.321 -0.043 30 20 DBED CCN(C(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1)C1CN(CC#N)C1 950094372 MURBJZXAURUCBN-LLVKDONJSA-N 316.365 -0.181 30 20 DBED C#CCN1CCC(C(=O)NC[C@@H]2CCN2C(=O)COC)CC1 950428838 SQCBRMKUBFDMMC-AWEZNQCLSA-N 307.394 -0.305 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)[C@@H]1CCCO1 950755101 DGAMXXIZCJTGCL-ILXRZTDVSA-N 319.405 -0.020 30 20 DBED CN(C(=O)c1c[nH]c(C#N)c1)C1CN(C(=O)[C@@H]2CCC(=O)N2)C1 954107020 RNTMFZWBYMRSQC-LBPRGKRZSA-N 315.333 -0.552 30 20 DBED C#Cc1ccc(C(=O)N(C)C2CN(C(=O)c3cnnn3C)C2)cn1 954917911 VVZCEPMJKXRMDE-UHFFFAOYSA-N 324.344 -0.212 30 20 DBED CN1C[C@@H](C(=O)N(C)C2CN(C(=O)C#CC3CC3)C2)NC1=O 954964159 AWZHTFPDZKUJCR-LBPRGKRZSA-N 304.350 -0.907 30 20 DBED CN(C(=O)c1cn(C)c(O)n1)C1CN(C(=O)C#CC2CC2)C1 955217815 LSAWCGKPMBBZJN-UHFFFAOYSA-N 302.334 -0.178 30 20 DBED CC#CCN1CCN(C(=O)C[C@]2(C)CCS(=O)(=O)N2)CC1 957461852 HMUVSGIRGHRIBJ-AWEZNQCLSA-N 313.423 -0.374 30 20 DBED N#CCN1C[C@@H](O)[C@H](CNC(=O)c2nc[nH]c2C(F)(F)F)C1 958139698 OCCWOTFREHADLE-HTQZYQBOSA-N 317.271 -0.025 30 20 DBED C#CCN1C[C@H](CNC(=O)c2ccc(NC(N)=O)cc2)[C@@H](O)C1 958646018 ZSPDIXWIPVMZQY-JSGCOSHPSA-N 316.361 -0.167 30 20 DBED Cc1ncncc1C(=O)N(C)[C@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1O 958646538 ISJWHZLDMULUEI-XDTLVQLUSA-N 317.349 -0.412 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CN(C(=O)[C@H]3CCN(C)C3=O)C[C@H]2C1 962160158 RLWFAJLBOZDRDH-NDBYEHHHSA-N 318.377 -0.459 30 20 DBED C[C@@H]1CCN(CC#N)C[C@H]1NC(=O)CN1CCCS1(=O)=O 966521980 IIIUQXBZRJYCND-VXGBXAGGSA-N 314.411 -0.628 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CCOCC1 968865453 BEEJGYHBTOGMCZ-MCIONIFRSA-N 320.393 -0.320 30 20 DBED C#CCN1CCCCC[C@@H]1CNC(=O)[C@H]1CCS(=O)(=O)N1 969150815 MNEMQGZHCITSSZ-CHWSQXEVSA-N 313.423 -0.328 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CN(C)C(=O)N1 969535692 FDJFHHUIGOSUDX-WISYIIOYSA-N 319.365 -0.629 30 20 DBED Cc1nc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)c(C)o1 970061368 CSSCTEJFVMWQFF-XROYCOCOSA-N 306.322 -0.247 30 20 DBED C=CCN1CCO[C@@]2(CCN(C(=O)CN3CCOCC3=O)C2)C1 972413857 QOQWDRUBXSUWLO-INIZCTEOSA-N 323.393 -0.666 30 20 DBED Cn1ncc(C(=O)NC[C@@H]2CCN(C(=O)C#CC3CC3)C2)n1 982741712 ITADEQQRPZEEEU-LBPRGKRZSA-N 301.350 -0.193 30 20 DBED C#CCN[C@@H]1CCN(C(=O)c2coc(S(N)(=O)=O)c2)[C@H]1C 986441998 RYDULIRLVJUKBR-GXSJLCMTSA-N 311.363 -0.247 30 20 DBED C=CCN[C@H]1C[C@H](C)N(C(=O)CCn2cc[nH]c(=O)c2=O)C1 989561656 HMQGUMOUWOJIRY-RYUDHWBXSA-N 306.366 -0.308 30 20 DBED C#CCN1CCC(C(=O)N2CCCN(CC(N)=O)CC2)CC1 989734963 MBKSIGWRNCKAMW-UHFFFAOYSA-N 306.410 -0.649 30 20 DBED C#CCN1CC[C@@]2(NC(=O)CN3CC(=O)N(C)C3=O)CCC[C@H]12 992396125 LCTQNMLYNFVTOU-LRDDRELGSA-N 318.377 -0.373 30 20 DBED C=CC(C)(C)C(=O)N1CC(NC(=O)[C@H]2COCCN2C(C)=O)C1 992502351 PUPWTFRSMOODRT-CYBMUJFWSA-N 323.393 -0.227 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)c2ccc3nnc(O)n3c2)C1 995377079 JJSSXOMLSJGPGP-QMMMGPOBSA-N 314.305 -0.465 30 20 DBED CC(C)N1C(=O)CC[C@H]1C(=O)NC1CN(C(=O)[C@H](C)C#N)C1 998105022 QOUZIQJLODCGER-PWSUYJOCSA-N 306.366 -0.128 30 20 DBED CC#CCN1CC[C@@H](n2cc(CNC(=O)c3cnn[nH]3)nn2)C1 1000002621 KRAZKPYEQDLWJY-GFCCVEGCSA-N 314.353 -0.404 30 20 DBED C=CCN[C@H]1CCCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)C1 1000368764 LNDNXJDUMDDGBV-JTQLQIEISA-N 308.338 -0.826 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC(CNC(=O)[C@@H]3[C@H]4COC[C@H]43)C2)c1 1003724708 SYENACQNXAICGI-IMRBUKKESA-N 314.345 -0.033 30 20 DBED C[C@@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1NC(=O)Cn1cnnn1 1004472098 GWOIQLHIBYMTKM-YPMHNXCESA-N 316.365 -0.560 30 20 DBED CC#CCN1CCC(N(C)C(=O)Cn2c(O)nnc2O)CC1 1006347509 HKRSQAJJQTZCJS-UHFFFAOYSA-N 307.354 -0.365 30 20 DBED C#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1nc(C)n(C)c1=O 1018227584 KFGJIBWYVFOZLV-BETUJISGSA-N 303.366 -0.801 30 20 DBED C[C@@H](C#N)C(=O)N1CCCO[C@@H](CNC(=O)c2cnn[nH]2)C1 1019619776 YQQHNDMCSOVGDS-UWVGGRQHSA-N 306.326 -0.688 30 20 DBED O=C([C@H]1COCCO1)N1C[C@@H]2CCN(C(=O)C#CC3CC3)[C@@H]2C1 1021588453 WIHFPWUWYKBEGR-RRFJBIMHSA-N 318.373 -0.126 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ncccc2O)C1 1023488403 GOTTVWIQFKXPSB-IQJOONFLSA-N 304.306 -0.752 30 20 DBED N#CCN1CCC[C@@H](CNC(=O)c2cc(=O)n3[nH]cnc3n2)C1 1023699664 HJGXPIMDAOWCGW-JTQLQIEISA-N 315.337 -0.617 30 20 DBED CN(C(=O)C1CC2(C1)NC(=O)NC2=O)[C@@H]1CCN(CC#N)C1 1033501737 KHHPDWGDVZQLLW-OPASDULOSA-N 305.338 -0.969 30 20 DBED CC#CCN1CCCC[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)C1 1034509673 NHNWOBPQPKZJCG-CQSZACIVSA-N 319.409 -0.116 30 20 DBED C=CCCN1CCO[C@@H](CNC(=O)C2CS(=O)(=O)C2)C1 1035388591 YBHQOFWVYIEAJO-LBPRGKRZSA-N 302.396 -0.576 30 20 DBED C#CCN1CCO[C@H](CNC(=O)c2ccc(C(N)=O)cc2)C1 1035602957 PYVIYEODFVVHLP-CQSZACIVSA-N 301.346 -0.151 30 20 DBED C#CCCN1CCO[C@H](CNC(=O)[C@H]2CCCS2(=O)=O)C1 1035608444 DCBNBOUVAHAHEY-CHWSQXEVSA-N 314.407 -0.596 30 20 DBED C=CCN1CC[C@H]2CN(C(=O)Cn3nc(C)n(C)c3=O)CC[C@H]21 1036882053 GDBGVMPLZYSZDJ-UONOGXRCSA-N 319.409 -0.001 30 20 DBED Cc1cc2[nH]c(=O)c(C(=O)N[C@H]3[C@H]4C[C@H]3N(CC#N)C4)cn2n1 1037626967 VCBSFXGWGYAMAA-NDMJEZRESA-N 312.333 -0.343 30 20 DBED N#CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)Cn1nc2n(c1=O)CCCC2 1037665366 VPAYPMFFTKBNGD-SUNKGSAMSA-N 316.365 -0.906 30 20 DBED C#CCCN1CC[C@@H]1CNC(=O)c1nc(C)n(-c2nc[nH]n2)n1 1038575180 KFFDLHRYNSWLPF-LLVKDONJSA-N 314.353 -0.479 30 20 DBED Cc1nonc1C(=O)N1CC[C@@](O)(CNC(=O)C#CC2CC2)C1 1039684676 CMIDRBQHIKYFCG-OAHLLOKOSA-N 318.333 -0.515 30 20 DBED C[C@H]1CN(C(=O)CC(N)=O)CC[C@@H]1CN=c1cc[nH]c(C#N)n1 1040397777 ABUCATNNORXOQY-WDEREUQCSA-N 316.365 -0.458 30 20 DBED CCn1ccnc1C(=O)N1CC[C@](O)(CNC(=O)[C@@H](C)C#N)C1 1040759934 DXFODCYIQZRMKB-NHYWBVRUSA-N 319.365 -0.244 30 20 DBED Cn1cccc1C(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1O 1040917692 VSQSOMKMKWODHW-DGCLKSJQSA-N 312.333 -0.334 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)c2ccnn2CC)C1 1042040230 QVKMHNFVZQDIRY-UHFFFAOYSA-N 322.365 -0.591 30 20 DBED C#CCN1CC[C@@H]2CCN(C(=O)c3cc(=O)n(C)cn3)C[C@@H]21 1042099417 BOHYAGCRZUOSLB-OCCSQVGLSA-N 300.362 -0.050 30 20 DBED CN(C(=O)c1c[nH]c(C#N)c1)C1CN(CCS(C)(=O)=O)C1 1042637837 UTAVAELULHHMHS-UHFFFAOYSA-N 310.379 -0.313 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)c2cnc(C)n2C)C1 1042804662 FULQFUDIFDJJNJ-UHFFFAOYSA-N 318.377 -0.165 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(O)CN(C(=O)c2cc[nH]c2)C1 1042811503 JOIODQWZFHNGHH-AWEZNQCLSA-N 307.350 -0.355 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)C(C)(C)C)C1 1043651015 XXMRIOWZBNEXTD-ZDUSSCGKSA-N 321.421 -0.180 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)Cc3cccnc3)C2)nn1 1043911202 OIWQTDOTPTTYNZ-KGLIPLIRSA-N 324.344 -0.348 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)c2nccnc2N)C1 1044455391 DAGRCYHLJVOCCQ-UHFFFAOYSA-N 319.365 -0.426 30 20 DBED C=CCCCC(=O)NCC1(O)CN(C(=O)Cn2cccn2)C1 1045450963 HEXHIONEKPRKHN-UHFFFAOYSA-N 306.366 -0.071 30 20 DBED CCCNC(=O)CCC(=O)N1CC(O)(CNC(=O)[C@H](C)C#N)C1 1045545732 BEZCMVIUFYIPLH-LLVKDONJSA-N 324.381 -0.858 30 20 DBED Cc1cnn(CCC(=O)N2CC(O)(CNC(=O)[C@@H](C)C#N)C2)c1 1045559054 FQLCNUUREAEKSO-LBPRGKRZSA-N 319.365 -0.569 30 20 DBED C#CCN1CC[C@H](N2CCN(C(=O)[C@]3(C)CCC(=O)N3)CC2)C1 1046060353 BSCHPTPRJDCTCN-YOEHRIQHSA-N 318.421 -0.493 30 20 DBED COc1cc(OC)nc(C(=O)N(C)[C@H]2CN(CC#N)C[C@@H]2O)n1 1047428663 GKJDEDYCDYRSFF-UWVGGRQHSA-N 321.337 -0.866 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCn3ccnc3C2)C1 1047435971 QJMBFHSPPOZXQD-RDBSUJKOSA-N 302.378 -0.418 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3nccn3c2)C1 1047457206 OFTNXYOTZJWHSW-KBPBESRZSA-N 313.361 -0.130 30 20 DBED C#CCCN1CCOC[C@H]1CNC(=O)c1c(C)ncnc1O 1051079469 RQMKMGXBPYXXIG-GFCCVEGCSA-N 304.350 -0.055 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)c1cncc(C(N)=O)c1 1051249148 CFZUSTCTVFFIJU-ZDUSSCGKSA-N 302.334 -0.756 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)[C@H]1C[C@H]1C(=O)OC)CCO2 1053185661 QKMBFFVBEGQTOF-QWHCGFSZSA-N 306.362 -0.268 30 20 DBED C#CCN1CC2(C1)CN(C(=O)c1cccn3nnnc13)CCO2 1053271985 AIBAERKHIIVWQV-UHFFFAOYSA-N 312.333 -0.716 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)[C@H]1CCCNC1=O)CCO2 1053296690 UOWTXEGZJFNNRC-ZDUSSCGKSA-N 305.378 -0.551 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)c3cnnn3CC)CO2)C1 1053795652 SRGPFPNIHDKOKH-LBPRGKRZSA-N 303.366 -0.106 30 20 DBED C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1NCc1nnn(C)n1 1054574432 QWAKQQPXQWIFER-SKDRFNHKSA-N 314.353 -0.340 30 20 DBED C#CCN[C@H]1CN(C(=O)c2ccc(S(N)(=O)=O)o2)C[C@@H]1C 1054854501 VCNNAABSVGTAIF-UWVGGRQHSA-N 311.363 -0.390 30 20 DBED C=CCCO[C@H](C)C(=O)N1C[C@H]2CN(C(=O)C(N)=O)C[C@H]2C1 1055222577 ANBOYJHNWFXNCK-UTUOFQBUSA-N 309.366 -0.630 30 20 DBED N#Cc1nccnc1N1CCN(C(=O)[C@H]2CCC(=O)NC2)CC1 1056078575 AAYKZTUVWXXOOY-NSHDSACASA-N 314.349 -0.477 30 20 DBED Cc1cc(=N[C@@H]2CCN(C(=O)C3(C(N)=O)CC3)C2)c(C#N)c[nH]1 1056759504 DQSAESLIWRLPNB-GFCCVEGCSA-N 313.361 -0.038 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H]1CCN(C(=O)[C@H]2CCC(=O)NC2)C1 1056818054 SIDHMMLPTTXJDX-WCQYABFASA-N 313.361 -0.086 30 20 DBED CN(c1ccnc(C#N)n1)[C@@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 1056910101 LAHCLFIKATWMJY-ZJUUUORDSA-N 316.321 -0.506 30 20 DBED C=CC(C)(C)CC(=O)NCCN(CCO)C(=O)CNC(N)=O 1056916179 KPRNHIHQDSDGOS-UHFFFAOYSA-N 314.386 -0.806 30 20 DBED O=C(C#CC1CC1)NCCN(CCO)C(=O)C[C@H]1CCOC1 1057250488 HYLOZKJODDGIOW-CQSZACIVSA-N 308.378 -0.237 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)[C@H]1CN(C)CCO1 1057263291 HNFYGEXVNTZIBS-CYBMUJFWSA-N 313.398 -0.780 30 20 DBED CO[C@@H](C)C(=O)NCCN(CCO)C(=O)c1ccc(C#N)[nH]1 1057367411 YSZZACKNTXSFBE-JTQLQIEISA-N 308.338 -0.528 30 20 DBED CC#CCCCC(=O)NCCN(CCO)C(=O)CC(=O)NC 1057417649 XUTIYFCHBWOHKY-UHFFFAOYSA-N 311.382 -0.747 30 20 DBED C=C[C@](C)(O)CC(=O)NCCN(CCO)C(=O)[C@@H]1CC1(F)F 1057503210 FUWINIPRKSPFHH-GWCFXTLKSA-N 320.336 -0.094 30 20 DBED C#CCOCCC(=O)N(CCO)CCNC(=O)c1nc(C)c[nH]1 1057583168 IMQCPAKNDAVUQD-UHFFFAOYSA-N 322.365 -0.691 30 20 DBED Cc1nccn1CC(=O)N(CCO)CCNC(=O)C#CC1CC1 1057643697 IDJLADJMVAFNAV-UHFFFAOYSA-N 318.377 -0.458 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)c1cnnc(O)c1 1057887091 ZBBKSJZVDZIGBZ-UHFFFAOYSA-N 320.349 -0.464 30 20 DBED CCn1nncc1C(=O)N[C@@H]1CCN(c2ccnc(C#N)n2)C1 1058353478 HRQIDWWLSDSDAV-SNVBAGLBSA-N 312.337 -0.032 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)CCc1ccnn1C 1058657070 PRDWIGOJJUAMSU-GFCCVEGCSA-N 321.381 -0.551 30 20 DBED N#Cc1cc(C(=O)N2CC[C@H](CCNC(=O)C(N)=O)C2)c[nH]1 1059505556 RDHKTUVMZGHBIP-VIFPVBQESA-N 303.322 -0.660 30 20 DBED COCC(=O)NC[C@H]1COCCN1C(=O)CSCC#N 1061193532 TZVPVYOKLOQNJV-JTQLQIEISA-N 301.368 -0.767 30 20 DBED C=CCOCC(=O)N1CCOC[C@H]1CNC(=O)[C@H](CC)OC 1061397625 WWVKDXIPDHVNPU-OLZOCXBDSA-N 314.382 -0.042 30 20 DBED CC(C)C#CC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1CCC(=O)N1 1061737980 MFLCGFBVFCNPIO-STQMWFEESA-N 321.377 -0.732 30 20 DBED C=CCCC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H](C)CC(N)=O 1061750215 SARMKTQWWHHBEO-RYUDHWBXSA-N 311.382 -0.192 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)Cc1ccon1 1061845886 LVRLWCHZNRSFFN-CMPLNLGQSA-N 306.322 -0.280 30 20 DBED Cn1nncc1C(=O)N1C[C@@H]2CC[C@H](C1)N2c1cncc(C#N)n1 1061958889 MWCUZMIVDKWTHH-TXEJJXNPSA-N 324.348 -0.030 30 20 DBED CN(C(=O)[C@@H]1COCCO1)[C@H]1CCN(c2cnc(C#N)cn2)C1 1062887844 YYGUQBKNGBTBDU-STQMWFEESA-N 317.349 -0.199 30 20 DBED CN(C(=O)[C@@H]1CCNC1=O)[C@H]1CCN(c2cncc(C#N)n2)C1 1063004162 ANHDRNIMQQBIRT-NWDGAFQWSA-N 314.349 -0.479 30 20 DBED CN(C(=O)[C@H]1CNC(=O)N1)[C@H]1CCN(c2ncccc2C#N)C1 1063025407 VTGOAJGQQJOSLA-NWDGAFQWSA-N 314.349 -0.328 30 20 DBED CCc1nc(C#N)cc(N2CCCC[C@H](NC(=O)C(N)=O)C2)n1 1063226925 VIFPRMXJIOWRKO-JTQLQIEISA-N 316.365 -0.129 30 20 DBED Cc1ncncc1C(=O)N1CCO[C@@H](CNC(=O)[C@@H](C)C#N)C1 1064903462 DMXFGOQVURJILI-JQWIXIFHSA-N 317.349 -0.098 30 20 DBED Cc1nonc1C(=O)NC[C@@H]1CN(C(=O)C#CC(C)C)CCO1 1065126405 PJIJWPUPRVHJQW-GFCCVEGCSA-N 320.349 -0.005 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CN(C(=O)Cc2ccn(C)n2)CCO1 1065138480 PJQINNDDFLUVHJ-DGCLKSJQSA-N 319.365 -0.534 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CN(C(=O)c2ccncn2)CCO1 1065506513 ZPKNNLBEZCBVIC-GHMZBOCLSA-N 303.322 -0.407 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@H](CNC(=O)Cc2cnc[nH]2)C1 1065557392 QFSHDPTVDWCQLV-ZYHUDNBSSA-N 305.338 -0.545 30 20 DBED C=CCOCC(=O)N(C)CCCN(C)C(=O)Cn1cnnn1 1066783938 UQQGPYCSHPWJNO-UHFFFAOYSA-N 310.358 -0.817 30 20 DBED CN(CCCN(C)C(=O)c1ncn(C)n1)C(=O)CSCC#N 1066871418 HIMAAVWZGVKFQM-UHFFFAOYSA-N 324.410 -0.008 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1COC2(C1)CN(C(=O)c1cnn[nH]1)C2 1069009194 XTRYCGNQHHNJRQ-IUCAKERBSA-N 304.310 -0.936 30 20 DBED CCC1(NC(=O)C(N)=O)CCN(C(=O)CSCC#N)CC1 1069190308 DMCVRDDMTUKEEX-UHFFFAOYSA-N 312.395 -0.384 30 20 DBED CC#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2csnn2)C1 1069989444 TVWFDCHSDRJFQL-PWSUYJOCSA-N 317.378 -0.192 30 20 DBED C#CCCCCCC(=O)NC1(CNC(=O)C(N)=O)CCOCC1 1070187244 PPLLNTFJBMDBQY-UHFFFAOYSA-N 323.393 -0.163 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)Cc2nc[nH]n2)CCOCC1 1070232663 OKNSZIJJKLUVCC-JTQLQIEISA-N 320.353 -0.712 30 20 DBED Cc1nc([C@H]2CN(C(=O)[C@@H](C)C#N)CC23CN(CCO)C3)n[nH]1 1070442661 LWYXQLKYPVDYHH-CMPLNLGQSA-N 318.381 -0.507 30 20 DBED Cn1cnc(C(=O)N2C[C@H]3C[C@@H]4CN(CC#N)C[C@]3(C2)O4)n1 1070796799 OJRBNKVLXQCAPS-JTNHKYCSSA-N 302.338 -0.746 30 20 DBED CNC(=O)NC(C)(C)C(=O)N1CCC[C@@H](NC(=O)[C@@H](C)C#N)C1 1070858331 KWIGVIAPNPHKSB-WDEREUQCSA-N 323.397 -0.039 30 20 DBED Cn1cccc1C(=O)N1CCC(=O)NCCN(CC#N)CC1 1070940715 SEYPWXQXMSCVLF-UHFFFAOYSA-N 303.366 -0.187 30 20 DBED C#CCN1C[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)CC[C@H]1C 1071549643 SJEHLZRHZBWUMA-CHWSQXEVSA-N 318.377 -0.851 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)C#CC(C)C)C1 1071936584 REFCZROZLQKLMG-KGLIPLIRSA-N 317.389 -0.252 30 20 DBED C#CCCN1CCC2(C1)CN(C(=O)CN1CCC(=O)NC1=O)C2 1073108814 KWJCUQKLDGUGCM-UHFFFAOYSA-N 318.377 -0.514 30 20 DBED CC(=O)N[C@@H](C)C(=O)N[C@@H](C)CCNC(=O)CSCC#N 1075675700 KJVBGZJUKRHOJD-UWVGGRQHSA-N 314.411 -0.221 30 20 DBED C#CCO[C@H](C)C(=O)NCC[C@H](C)NC(=O)c1cnn(CC)n1 1076507543 KYLSXAPPUSZVMX-NWDGAFQWSA-N 321.381 -0.039 30 20 DBED C#CCN1C[C@@H]2CCN(C(=O)CN3C(=O)CN(C)C3=O)[C@@H]2C1 1076544706 BFRXZPDOILDPAI-NWDGAFQWSA-N 304.350 -0.954 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)Cc2ccc3c(c2)NC(=O)C3)C1 1077154244 KGNJCHBUCIFGDX-HUUCEWRRSA-N 313.357 -0.482 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)C(C)(C)c2cnn(C)c2)C1 1077914704 IMRJMRNIUDGLSL-ZIAGYGMSSA-N 304.394 -0.118 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3nn[nH]c3C2)C1 1077998451 XTENUGIBQAATGE-LERXQTSPSA-N 305.382 -0.353 30 20 DBED C#CCN1CCC(C(=O)N[C@@H]2CN(CCCF)C[C@H]2O)CC1 1078228152 FRCPOYDKLVESFX-HUUCEWRRSA-N 311.401 -0.148 30 20 DBED CCN(C(=O)C#CC1CC1)C1CN(C(=O)CNC(=O)NC)C1 1079741506 KGEPNXPBPNKGIH-UHFFFAOYSA-N 306.366 -0.612 30 20 DBED C#CCCN1C[C@@H](NC(=O)CN2CCCS2(=O)=O)[C@H](C)C1 1079807784 QKIQXPFRBWKDRM-CHWSQXEVSA-N 313.423 -0.518 30 20 DBED C=CCOCC(=O)N1CCC(CO)(NC(=O)CCOC)CC1 1080646801 PRHJOYBLDXHTFM-UHFFFAOYSA-N 314.382 -0.305 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](O)[C@H](CNC(=O)CCC=C)C1 1081336163 UUWDXOXUBMCJRO-CHWSQXEVSA-N 321.377 -0.972 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2nc[nH]n2)C1 1081653115 KARIFCQTOBPCNL-GHMZBOCLSA-N 305.338 -0.987 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@H]2CCc3nn[nH]c3C2)[C@H](OC)C1 1082324717 XWBKUAXAIIZJMF-ZLKJLUDKSA-N 303.366 -0.642 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@H]2CC(=O)N(CCC)C2)C1 1083820774 DUBANWMRKLINDM-MJBXVCDLSA-N 307.394 -0.571 30 20 DBED CC#CCN1CC[C@@H]2CN(C(=O)C[C@@H]3CC(=O)NC3=O)C[C@@H]2C1 1088224223 OOMSBBKNSCPXFJ-RDBSUJKOSA-N 317.389 -0.157 30 20 DBED CN(C)C(=O)CN1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)[C@H](O)C1 1090194309 HXZRFTUDTIVRMP-QWHCGFSZSA-N 319.365 -0.860 30 20 DBED C[C@H]1[C@@H](Nc2cnc(C#N)cn2)CCN1C(=O)CCNC(N)=O 1090218236 UQPMBIZJMBEGOJ-ONGXEEELSA-N 317.353 -0.192 30 20 DBED C=CCN1CC[C@@H](NC(=O)c2cnc(N(C)C)cn2)[C@H](O)C1 1090264743 HNNCEBPFRYWYFY-DGCLKSJQSA-N 305.382 -0.106 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(c2nccc(OC)n2)C[C@H]1O 1090418037 JROGCMNBMACNRK-UEKVPHQBSA-N 322.365 -0.522 30 20 DBED CO[C@@H](C)CC(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1091073806 ZOHZCVBDJSKYTD-WCQGTBRESA-N 305.338 -0.561 30 20 DBED N#CCSCC(=O)N1CCN(c2ccc3nnnn3n2)CC1 1093144648 NBRZZSZSAWDACV-UHFFFAOYSA-N 318.366 -0.575 30 20 DBED COC(=O)NCC(=O)NC1[C@@H]2CN(c3cnc(C#N)cn3)C[C@@H]12 1093240089 QNURAEALIOBOKK-NXEZZACHSA-N 316.321 -0.745 30 20 DBED CCn1nnc(C)c1C(=O)NCCN=c1cc[nH]c(C#N)n1 1093919045 JPZCEFFNEVTNCJ-UHFFFAOYSA-N 300.326 -0.468 30 20 DBED C#CCCN1CC(n2cc(CNC(=O)[C@H]3CCN(C)C3)nn2)C1 1094338848 OPBHZDJKPMHFFH-ZDUSSCGKSA-N 316.409 -0.274 30 20 DBED CN(c1ccc(C#N)cn1)[C@H]1CCN(C(=O)CNC(N)=O)C1 1095091806 VOHIJYSZZJIJNC-NSHDSACASA-N 302.338 -0.341 30 20 DBED C[C@H](CC(N)=O)C(=O)N[C@H]1CCN(c2cncc(C#N)n2)C1 1096457428 IYTFHYUJHCSQJO-ZJUUUORDSA-N 302.338 -0.445 30 20 DBED COC[C@@H](OC)C(=O)N[C@H]1C[C@H](N=c2cc[nH]c(C#N)n2)C1 1097100887 JLHFRUQUWQOJQI-GMTAPVOTSA-N 305.338 -0.509 30 20 DBED CC(=O)N[C@@H](C)C(=O)N[C@H]1C[C@@H](Nc2cnc(C#N)cn2)C1 1097145215 ZGFGYTOIJWEWGS-INTQDDNPSA-N 302.338 -0.068 30 20 DBED C#CCCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1CCNC(=O)C1 1097643069 VQXQMNRSGSHUEJ-MCIONIFRSA-N 304.394 -0.837 30 20 DBED C[C@H](CNC(=O)c1cc(=O)n(C)o1)Nc1cnc(C#N)cn1 1097782373 JQRRDWXGWUGISB-MRVPVSSYSA-N 302.294 -0.130 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H]1CCN(C)S1(=O)=O 1098017015 PDZNXTFHRAKRIZ-NDBYEHHHSA-N 311.407 -0.625 30 20 DBED C[C@@H](CNC(=O)c1ccnc2[nH]nnc12)N=c1cc[nH]c(C#N)n1 1098409682 SWKPFQMOVAMXKR-QMMMGPOBSA-N 323.320 -0.333 30 20 DBED C[C@@H](CCNC(=O)CCNC(N)=O)N=c1cc[nH]cc1C#N 1099140567 DRHKYJUQJFNAIZ-JTQLQIEISA-N 304.354 -0.260 30 20 DBED N#CCN1C[C@H](NC(=O)CCNC(N)=O)CC2(CCOCC2)C1 1099597554 XQOZZSUEJDTWOR-GFCCVEGCSA-N 323.397 -0.444 30 20 DBED Cn1cnnc1CN1CC[C@@H](NC(=O)CSCC#N)[C@@H](O)C1 1099688774 AORCCBTYMGSJAK-MNOVXSKESA-N 324.410 -0.877 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)CCCCNC(N)=O)[C@@H](O)C1 1099909161 OIIOGBUKDGCEFP-OLZOCXBDSA-N 312.414 -0.048 30 20 DBED C=C(C)C(C)(C)C(=O)N[C@H]1CCN(CC(=O)NCC#N)C[C@H]1O 1099947533 XDABOKSAWLFKAG-QWHCGFSZSA-N 322.409 -0.220 30 20 DBED CN1CCO[C@@H](C(=O)NCCN(C)c2ncc(C#N)cc2F)C1 1099996416 GRKLEODCOISTSF-CYBMUJFWSA-N 321.356 -0.025 30 20 DBED CCN(CCNC(=O)c1cn(C)nn1)c1cncc(C#N)n1 1100506129 IHFUFRUIXGXNGX-UHFFFAOYSA-N 300.326 -0.267 30 20 DBED C#CCCNC1CC(CNC(=O)[C@@H]2CN(C(C)=O)CCO2)C1 1100928591 PRGIVYPTNLEWNR-NRXISQOPSA-N 307.394 -0.259 30 20 DBED Cn1nnc(C(=O)NCCN(c2ccc(C#N)cn2)C2CC2)n1 1101423667 GOPXTZBGEPNXMO-UHFFFAOYSA-N 312.337 -0.124 30 20 DBED CC(=O)N1CC(C(=O)N(C)CCNc2cncc(C#N)n2)C1 1101562898 FGRMVVBNVLNMGQ-UHFFFAOYSA-N 302.338 -0.303 30 20 DBED C[C@@H](CC(N)=O)C(=O)N(C)[C@H]1CCN(c2ccnc(C#N)n2)C1 1102752488 IFPSVVMYZOOUON-QWRGUYRKSA-N 316.365 -0.103 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H]1CCCN1C(=O)CCNC(N)=O 1103804519 QKXPALFWTJDTDU-GFCCVEGCSA-N 316.365 -0.164 30 20 DBED COC(=O)NCC(=O)NC[C@@H](C)CNc1cnc(C#N)cn1 1103857266 WSCPSZDDHSKYJZ-VIFPVBQESA-N 306.326 -0.132 30 20 DBED C[C@@H](CNC(=O)Cn1cnnc1O)CNc1ccc(C#N)nn1 1103958497 RDHNWLDTIHIBLL-SECBINFHSA-N 316.325 -0.490 30 20 DBED Cc1cc(N2CCO[C@H](CNC(=O)[C@H](C)C#N)C2)nc(CO)n1 1104301200 BANHPDCVTNTDCN-ZYHUDNBSSA-N 319.365 -0.242 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(n2cc(CNCCOC)nn2)C1 1105224110 XRSVIOCFXOQMDQ-HNNXBMFYSA-N 323.397 -0.276 30 20 DBED CN(CCN(C)c1nccnc1C#N)C(=O)[C@@H]1CCNC(=O)C1 1105357573 KFSTUSUIWJDDHL-LLVKDONJSA-N 316.365 -0.231 30 20 DBED CCC(=O)NCC(=O)N(C)CCN(C)c1nccnc1C#N 1105371348 WDTIFOCJIVFHBG-UHFFFAOYSA-N 304.354 -0.231 30 20 DBED N#Cc1nc(=NC[C@H](O)CNC(=O)[C@@H]2CCCOC2)cc[nH]1 1105741390 FKHAHLYWWMLCGC-MNOVXSKESA-N 305.338 -0.914 30 20 DBED Cc1cc(C#N)nc(NC[C@H](O)CNC(=O)Cc2ccon2)n1 1105761749 BPKQDSSVBRMHTD-GFCCVEGCSA-N 316.321 -0.224 30 20 DBED Cc1cc(C(=O)NC[C@@H](O)CNc2cnc(C#N)cn2)ncn1 1105789399 WKVDDSXDPFJPQI-NSHDSACASA-N 313.321 -0.351 30 20 DBED COc1ccnc(NC[C@@H](O)CNC(=O)c2cc(C#N)c[nH]2)n1 1105808663 OEHBBPSQDPMORQ-JTQLQIEISA-N 316.321 -0.112 30 20 DBED C#Cc1ccc(C(=O)NC[C@H](O)CNc2ccc(C#N)nn2)nc1 1105908699 XAVLBBIUJDLKLS-CYBMUJFWSA-N 322.328 -0.073 30 20 DBED Cc1cc(C#N)nc(NC[C@H](O)CNC(=O)[C@@]2(C)CCOC2)n1 1105938938 GYLWLDXIUGOKHY-DOMZBBRYSA-N 319.365 -0.028 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H](O)CNC(=O)CO[C@H]1CCOC1 1105972829 QMUPETAPWIBMGD-OLZOCXBDSA-N 320.349 -0.930 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)c2nnc(O)nc2O)C[C@H]1C 1106378542 XKAPJBFWCBPJQW-NXEZZACHSA-N 305.338 -0.396 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)[C@]1(C)CCNC1=O 1106957572 FSSPYXYFMFVCTQ-OAHLLOKOSA-N 316.365 -0.443 30 20 DBED CNC(=O)NC(C)(C)C(=O)N[C@H](C)CN=c1cc[nH]cc1C#N 1107800021 DZBSUDBCBYZPEO-SNVBAGLBSA-N 318.381 -0.001 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)[C@@H]1COCCN1C 1108320264 ZUOXYPCGZAUMAR-QWRGUYRKSA-N 304.354 -0.983 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)COCCCOC)CC2=O)C1 1108584492 IWIYGXWGEAIVJV-ZDUSSCGKSA-N 323.393 -0.926 30 20 DBED C[C@@H](CN(C)c1ccncc1C#N)NC(=O)[C@@H]1CNC(=O)N1 1109210580 CQTUZASOWKRENY-ONGXEEELSA-N 302.338 -0.424 30 20 DBED N#Cc1nccnc1N1C[C@H]2C[C@H]1[C@H]2NC(=O)CCn1cncn1 1109681586 ZUOVCKIIYWNPIF-OSMZGAPFSA-N 324.348 -0.277 30 20 DBED CNC(=O)CC(=O)N[C@@H]1[C@H]2C[C@H]1N(c1ncc(C#N)cc1F)C2 1109699817 SOYMDDFYRSGPGI-DRCTWCGVSA-N 317.324 -0.078 30 20 DBED CCO[C@H](C)C(=O)N(CCO)CCN=c1cc[nH]c(C#N)n1 1111431379 UONUOGCPRMVQBZ-LLVKDONJSA-N 307.354 -0.572 30 20 DBED Cc1n[nH]cc1C(=O)N(CCO)CCNc1ccc(C#N)nn1 1111534146 VFMURKSCFNUFKR-UHFFFAOYSA-N 315.337 -0.074 30 20 DBED C[C@@H]1CCO[C@@H]1C(=O)N(CCO)CCN=c1cc[nH]c(C#N)n1 1111570708 AKBDYYJJHTZSTL-RISCZKNCSA-N 319.365 -0.572 30 20 DBED CSCC(=O)NC[C@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1112700408 SFHCLWQUKHEWKB-ONGXEEELSA-N 307.379 -0.375 30 20 DBED C[C@@H](CNC(=O)c1cnn(C)n1)N(C)c1ccnc(C#N)n1 1113651993 NMAUDOWKQDMZSC-VIFPVBQESA-N 300.326 -0.269 30 20 DBED COCCCCC(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1114013487 XRGAPQLVGSHKFX-JYAVWHMHSA-N 308.382 -0.511 30 20 DBED C=C(C)CN1C[C@@H]2C(NC(=O)CNC(=O)Cn3cncn3)[C@H]2C1 1115288360 QJHUYPKPGVGDHP-RYUDHWBXSA-N 318.381 -0.983 30 20 DBED C[C@H](CN(C)C(=O)CCNC(N)=O)N=c1cc[nH]cc1C#N 1115727013 AIDIWASHMNSBEN-SNVBAGLBSA-N 304.354 -0.308 30 20 DBED CCN1CCN(C(=O)C(=O)N2CCC[C@H](CC#N)C2)CC1=O 1118448435 FWNOPBGNYFEYNH-GFCCVEGCSA-N 306.366 -0.171 30 20 DBED COC(=O)NC1CN(C(=O)C(=O)N2CCC[C@@H](CC#N)C2)C1 1118521612 UURBZRNRJDRXLN-JTQLQIEISA-N 308.338 -0.295 30 20 DBED N#Cc1ccc(CCNC(=O)C(=O)N2C[C@@H](O)[C@H](CO)C2)cc1 1118529305 ZDDXPRIHYZYKBF-UONOGXRCSA-N 317.345 -0.971 30 20 DBED C#CCNC(=O)CNC1CC2(C1)CC(NC(=O)c1cc[nH]n1)C2 1120650524 GWEZGTAJVQHRDS-UHFFFAOYSA-N 315.377 -0.210 30 20 DBED CC(C)(C)OCC(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1 1121353710 VWRCJOSFMIGAFH-JTQLQIEISA-N 307.354 -0.526 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)CC2OCCCO2)nc1 1121358854 AUXPZPRXTVWARB-LBPRGKRZSA-N 320.349 -0.005 30 20 DBED Cn1nccc1CC(=O)NC[C@@H](CO)N=c1cc[nH]cc1C#N 1121412672 RTWSNNSWUGMOCK-LBPRGKRZSA-N 314.349 -0.760 30 20 DBED COCCNC(=O)[C@H](C#N)C(=O)CCC(=O)N1CCOCC1 1122624903 KXFARFQUEMPJTI-LLVKDONJSA-N 311.338 -0.903 30 20 DBED CN(C[C@H](O)CNc1cnc(C#N)cn1)C(=O)[C@H]1CCCO1 1124066403 VMFWJQYQMGAZBM-VXGBXAGGSA-N 305.338 -0.242 30 20 DBED C=CCCO[C@H](C)C(=O)NCCNCC(=O)NC(=O)NC 1124488824 VOARETICQWCQDI-SNVBAGLBSA-N 300.359 -0.871 30 20 DBED CN(C[C@@H](O)CN(C)c1nccnc1C#N)C(=O)[C@H]1CCCO1 1124939239 HAEAKVFMCRXQGI-WCQYABFASA-N 319.365 -0.217 30 20 DBED C#CCNC(=O)CC(=O)NCCNCc1ncnn1CC(C)C 1125977884 HRGKCOIJFMNYCC-UHFFFAOYSA-N 320.397 -0.721 30 20 DBED C#CCNC(=O)CC(=O)NCCNCCc1cnn(CC)c1 1125981806 LCHYJKUVUPHNRT-UHFFFAOYSA-N 305.382 -0.709 30 20 DBED CC(C)(C)c1nc(C(=O)NCCNCC(=O)NCC#N)co1 1127172557 XZBQMEZMUNLDKE-UHFFFAOYSA-N 307.354 -0.069 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1ccn(CC(C)C)n1 1128450913 SDBUAHFLHPVJTG-CYBMUJFWSA-N 319.409 -0.004 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1CN([C@H](C)C(N)=O)C[C@@H]1n1ccnn1 1129159826 XSTPNCPWBQQZNT-UTUOFQBUSA-N 320.397 -0.294 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCNCc1nc(CC)no1 1129770402 GBRZSZIXFZHYRK-LBPRGKRZSA-N 305.382 -0.065 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1c[nH]c2nccc-2c1 1129987562 AMEJLYSWQQHCJQ-LLVKDONJSA-N 313.361 -0.028 30 20 DBED C=CCNC(=O)CNCCNC(=O)Cn1cnc2c1CCCC2 1131417612 FLWYTNPTYNLENV-UHFFFAOYSA-N 319.409 -0.230 30 20 DBED CNC(=O)CC(=O)N1CCC([C@@H]2OCC[C@H]2NCC#N)CC1 1131480425 KXUJBZHWAYMNRP-DOMZBBRYSA-N 308.382 -0.368 30 20 DBED C#CCN1C[C@@H](NC(=O)CS(=O)(=O)N(C)C)CC[C@H]1C 1132452928 GVCAKMKQXOQTSC-NEPJUHHUSA-N 301.412 -0.520 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)C[C@@H](C)NCc1ncnn1C 1134130681 LGZCSDJYMOMNFH-VXGBXAGGSA-N 320.397 -0.673 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)COC[C@H]1CCOC1 1134655963 QSIGSJHSSBWTFC-OLZOCXBDSA-N 313.398 -0.564 30 20 DBED C[C@H](C[C@@H](C)NC(=O)c1ccn(C)n1)NCC(=O)NCC#N 1146322688 IYPIXEBZLSFVFW-GHMZBOCLSA-N 306.370 -0.454 30 20 DBED N#CCN1CCCO[C@H](CNC(=O)COC2CCOCC2)C1 1150385581 CSZQMTHCDIUCAJ-CQSZACIVSA-N 311.382 -0.087 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)[C@H](C)OCCOCC 1152215953 QDEQYHAZZGSUEZ-STQMWFEESA-N 315.414 -0.176 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)[C@@H](C)NC(=O)CC 1153555171 PDLQEXWQYQDMKK-CHWSQXEVSA-N 324.425 -0.523 30 20 DBED C=CCCO[C@H](C)C(=O)NCCCN[C@H](C)C(=O)NC(N)=O 1155454700 KMZUHMWHWZOWTB-GHMZBOCLSA-N 314.386 -0.353 30 20 DBED C=CCNC(=O)CNCCCNC(=O)CCc1ccnn1C 1159081420 BQSJVKPZTVKRAG-UHFFFAOYSA-N 307.398 -0.249 30 20 DBED C#CCNC(=O)CC(=O)NCCC1=CCN(C[C@H](C)O)CC1 1159891736 RPDRALLZXSHBMC-ZDUSSCGKSA-N 307.394 -0.355 30 20 DBED C#CCNC(=O)CNCCCNC(=O)CCc1ccncc1 1161622692 MWGDYRZACPADNQ-UHFFFAOYSA-N 302.378 -0.141 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)c2cnc(O)n2C)C1=O 1163937080 XFJDHPZBUKMJLQ-NSHDSACASA-N 321.381 -0.378 30 20 DBED C=CCOCCNCC1(CCNC(=O)Cn2ncnn2)CC1 1164556645 ZFTRVJNFPHRKKI-UHFFFAOYSA-N 308.386 -0.248 30 20 DBED C=CCn1cc(C(=O)NCCC2(CNCC(N)=O)CC2)nn1 1167411287 KQVCMRPDNLTLLI-UHFFFAOYSA-N 306.370 -0.561 30 20 DBED C[C@@H](CCCCNCC#N)NC(=O)CN1CCCS1(=O)=O 1171118812 HJBHHONKTARIIR-LBPRGKRZSA-N 316.427 -0.190 30 20 DBED C#CCCN1CCO[C@H]2CCN(C(=O)CNC(=O)CC)C[C@H]21 1176961943 CVKHFZZXGGWJBJ-KGLIPLIRSA-N 307.394 -0.162 30 20 DBED CCOCC(=O)N1C[C@H]2CC[C@H]1[C@H](CNCC(=O)NCC#N)C2 1177608175 DAVBDDIKXNUBAM-IHRRRGAJSA-N 322.409 -0.121 30 20 DBED C#CCNC(=O)[C@H](C)NCCCCCCNC(=O)CNC(C)=O 1177775750 PAXQXSONCYQVQS-ZDUSSCGKSA-N 324.425 -0.473 30 20 DBED C[C@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)c1cnsn1 1178210973 INKRMLGOXXZFAE-IUCAKERBSA-N 308.367 -0.630 30 20 DBED C#CCNC(=O)CNCCCCCCNC(=O)[C@H]1C[C@H]1C(N)=O 1179601770 OAIDMDCULJBYNF-OLZOCXBDSA-N 322.409 -0.877 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CCN(C)C2)[C@H]1C 1180124714 OPFYGLGPZYVWCG-MJBXVCDLSA-N 306.410 -0.734 30 20 DBED C#CCNC[C@@H]1CCN(C(=O)CN(C)S(C)(=O)=O)C[C@H]1C 1184523449 LXGMPSXFOXUXDZ-OLZOCXBDSA-N 315.439 -0.415 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2cn(CC)nc2C)C1 1185968987 RTDPRDRTRUQMSS-CYBMUJFWSA-N 317.393 -0.235 30 20 DBED CC#CCN[C@@H]1CCN(C(=O)C[C@]2(C)CCS(=O)(=O)N2)C1 1187394795 QJJNMIMEXWZMNI-OCCSQVGLSA-N 313.423 -0.328 30 20 DBED C[C@H](O)CCCN1C[C@@H](O)[C@H](NC(=O)CSCC#N)C1 1191161865 MDJRZHCXMXODBW-QJPTWQEYSA-N 301.412 -0.435 30 20 DBED C=CCN(CC=C)C(=O)CN(C)[C@H]1CCN(C(=O)C(N)=O)C1 1192084021 TWRUSDKMIMXPEE-LBPRGKRZSA-N 308.382 -0.795 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2csnc2C)C1 1192263067 DXYXFVFJGBCZIN-VXGBXAGGSA-N 324.406 -0.471 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)c2cnn3c2CCC3)C1 1193577757 ZZVNLZPSZSBUDR-UKRRQHHQSA-N 318.377 -0.746 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H](CCC)OC)C1 1195237989 RBTQYLYMCRUISA-UPJWGTAASA-N 313.398 -0.735 30 20 DBED COCCOC[C@@H](O)CN1CCCN(C(=O)C#CC2CC2)CC1 1195754530 PQIJPDCZKMSYIP-INIZCTEOSA-N 324.421 -0.042 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@](C)(C=C)CC)C1 1195924374 VAGREZDOYPKJQP-IOASZLSFSA-N 307.394 -0.501 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)NC(=O)C2CCC2)C1 1199498541 PDDSCQJUMUBVBC-MRVWCRGKSA-N 307.394 -0.524 30 20 DBED C#CCNC(=O)CNC[C@H]1CN(C(=O)[C@@H]2C[C@H]2C)CCCO1 1201147848 RRHQOHQIEGREPH-HZSPNIEDSA-N 307.394 -0.401 30 20 DBED C#CCNC[C@H]1CN(C(=O)CCc2cnn(C)n2)CCCO1 1201420876 PZZFKDAZCZLHGO-AWEZNQCLSA-N 305.382 -0.412 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@@H](NC(=O)c2cnn[nH]2)C12CCC2 1203116206 YGGGMYAOAFIOOQ-NWDGAFQWSA-N 316.365 -0.815 30 20 DBED C#CCNCC1CCN(C(=O)CN2CCC(=O)NC2=O)CC1 1206794228 KFHBUQQWNYVNIJ-UHFFFAOYSA-N 306.366 -0.610 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2ccnn2CC)[C@H](C)C1 1206897646 IIATYQWLQYBJOV-CHWSQXEVSA-N 317.393 -0.298 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)c2n[nH]c(C)c2O)C1 1207806172 BCXKSDFZXGOWJY-NSHDSACASA-N 321.381 -0.080 30 20 DBED C=CCCCC(=O)N[C@@H]1CN([C@@H]2CCC(=O)NC2=O)C[C@H]1OC 1213357209 KGCYBCSPGNQJNJ-JHJVBQTASA-N 323.393 -0.037 30 20 DBED CCCn1ncnc1CN1C[C@H](O)[C@H](NC(=O)[C@H](C)C#N)C1 1219379570 UYSSBZYKPHYSAF-UTUOFQBUSA-N 306.370 -0.491 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CN(CCCN2CCCC2=O)C[C@@H]1O 1219383155 DTWCWLFWZGNNCW-UPJWGTAASA-N 308.382 -0.680 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)C2(NC(N)=O)CCCCC2)C1 1220479868 CDYLHOUSUZIIFJ-OLZOCXBDSA-N 322.409 -0.458 30 20 DBED C=CCCCN1C[C@H](O)[C@H](NC(=O)COCc2ncnn2C)C1 1220662120 JTIGZJVJNQDHIE-OLZOCXBDSA-N 323.397 -0.541 30 20 DBED C=CCCC(=O)N1C[C@H]2CCN(CC(=O)NC(=O)NC)C[C@H]21 1221424937 RPNUGUDIQUDYBW-VXGBXAGGSA-N 308.382 -0.059 30 20 DBED C=CCOCC(=O)N1C[C@H]2CCN(Cc3nc(O)n[nH]3)C[C@H]21 1221441563 LLNBSJOGPFDQRD-GHMZBOCLSA-N 307.354 -0.254 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)[C@]3(C)CCOC3)[C@@H]2C1 1221892423 SXTQSFHJLUOMIJ-CKEIUWERSA-N 319.405 -0.305 30 20 DBED CC#CCN1CCC(CNC(=O)C[C@H](NC(C)=O)C(N)=O)CC1 1224754200 SAYOZBOTJSDSIW-AWEZNQCLSA-N 322.409 -0.782 30 20 DBED CC(C)C#CC(=O)NCC[C@H]1CN(CCO)CCS1(=O)=O 1230459258 DTAJHBBQRHRLJT-ZDUSSCGKSA-N 316.423 -0.757 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)c1cnn(C)c1 1230714963 NCRCRUQDMOGYMD-CYBMUJFWSA-N 303.366 -0.684 30 20 DBED C=CCNC(=O)CN1CC[C@H]1CN(C)C(=O)c1cn(C)cn1 1233610014 CYMWMEQYEHFNMT-LBPRGKRZSA-N 305.382 -0.131 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)[C@@H](C)OCC#C 1234227251 WNHGUIICICORCV-KGLIPLIRSA-N 305.378 -0.693 30 20 DBED COCC#CCN1CC[C@H]1CN(C)C(=O)[C@@H]1CC(=O)N(C)C1 1234643081 MAPNWNUOFGAVOQ-KGLIPLIRSA-N 307.394 -0.353 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[C@@H]3OCC[C@@H]32)CCO1 1261161763 CDLUWMDVVPBYBY-LPWJVIDDSA-N 307.350 -0.189 30 20 DBED CON(C)C(=O)CNC(=O)C(=O)Nc1cc(C)c(C#N)cn1 1261548502 RJPROCUVFPPYRH-UHFFFAOYSA-N 305.294 -0.664 30 20 DBED COCCOC[C@H](C)NC(=O)C(=O)Nc1ccn(CCC#N)n1 1319537032 WKJYHUCRMMWRFO-NSHDSACASA-N 323.353 -0.097 30 20 DBED C#CCSCCNC(=O)C(=O)NC1CCN(C(C)=O)CC1 1321429558 MEMLHTLWWIFHAJ-UHFFFAOYSA-N 311.407 -0.404 30 20 DBED C[C@H](CS(C)(=O)=O)NC(=O)C(=O)NCC1(CC#N)CC1 1322763520 OKSRNSXAHSKGRI-SECBINFHSA-N 301.368 -0.654 30 20 DBED N#Cc1cccc(NC(=O)C(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)c1 1323858277 OIFMVRQNCLTXDS-NWDGAFQWSA-N 316.317 -0.354 30 20 DBED CN1C(=O)CC[C@@H](NC(=O)C(=O)NCC2(CC#N)CC2)C1=O 1325940763 RZICGUAOHLWSSS-SECBINFHSA-N 306.322 -0.940 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)C1 1326111414 KSWNFXTTWYCPSH-IOASZLSFSA-N 321.377 -0.063 30 20 DBED C#CC[C@H](CO)NC(=O)CCc1nc(-c2ncccn2)no1 1326396972 KZKLAPBSVWXWOI-SNVBAGLBSA-N 301.306 -0.040 30 20 DBED CC(=O)N1CC[C@@H](NC(=O)C(=O)N2CCC[C@@](C)(C#N)C2)C1 1328627672 SCRZIUCSBDTFMN-DOMZBBRYSA-N 306.366 -0.124 30 20 DBED C#CCSCCNC(=O)C(=O)NC[C@H]1CC(=O)N(CC)C1 1328929498 KVMJKIOBVAFXLA-LLVKDONJSA-N 311.407 -0.546 30 20 DBED COC(=O)CN(CC#N)C(=O)c1ccnc(-n2cncn2)c1 1328991152 VNJHJYJHRDNMAZ-UHFFFAOYSA-N 300.278 -0.199 30 20 DBED C#CC[C@@H](CO)NC(=O)Cc1ccc(S(N)(=O)=O)s1 1330832338 QOIPJWAZRIXWEF-QMMMGPOBSA-N 302.377 -0.562 30 20 DBED C#CC1(O)CN(C(=O)NCCCCN2CCN(CC)CC2)C1 1333641293 QDRNFHSRXTUOQI-UHFFFAOYSA-N 308.426 -0.206 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCOC[C@@H](C)C1 1335674820 USCDQSFBXHYZNO-NSHDSACASA-N 318.395 -0.802 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N[C@H]1CCCS(=O)(=O)C1 1346301928 GJKZFSVKIVANOH-LBPRGKRZSA-N 310.375 -0.835 30 20 DBED COC(=O)C1(C#N)CCN(CCS(=O)(=O)N(C)C)CC1 1363794407 XTSAEIFSKPFCBK-UHFFFAOYSA-N 303.384 -0.343 30 20 DBED C[C@@H](C#N)Oc1ccccc1NC(=O)NC(CO)(CO)CO 1365775069 FCKRVCRDPHTIBC-JTQLQIEISA-N 309.322 -0.185 30 20 DBED CC(C)c1nnnn1CC(=O)N1CC[C@@H](NC(=O)[C@H](C)C#N)C1 1372012738 IHPQOWJFQZMXMN-GHMZBOCLSA-N 319.369 -0.327 30 20 DBED CCCN(CCNC(=O)c1c[nH]c(=O)cn1)C(=O)[C@@H](C)C#N 1374162690 NIAAHUQGGWZCIE-JTQLQIEISA-N 305.338 -0.102 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1cn2c(n1)CCCC2 1392106546 AYLTXCNXKXPLBR-MNOVXSKESA-N 319.365 -0.414 30 20 DBED COC[C@@H](O)CN(CCO)C1CCN(C(=O)[C@H](C)C#N)CC1 1397809547 HCZMXKQRRUMAQL-OCCSQVGLSA-N 313.398 -0.561 30 20 DBED CC(=O)N(C)CC(=O)N[C@H]1C[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 1407808809 KDXRJDDIYJYRPG-HAQNSBGRSA-N 317.349 -0.258 30 20 DBED N#CC[C@@H](O)CN1CCN(c2nc(N)nc(C3CC3)n2)CC1 1413073961 RPCKPILOTBPKHU-LLVKDONJSA-N 303.370 -0.272 30 20 DBED C[C@@H](C#N)C(=O)N(C)C[C@H]1CCCN(C(=O)CCNC(N)=O)C1 1414904451 CLLWNFYUUQLABU-NWDGAFQWSA-N 323.397 -0.099 30 20 DBED C[C@H](CCNC(=O)c1ncn(C)n1)NC(=O)c1ccc(C#N)[nH]1 1415384739 SWSJUNJZKHTLRM-SECBINFHSA-N 315.337 -0.047 30 20 DBED N#Cc1c[nH]c(C(=O)N2C[C@@H](O)[C@H](NC(=O)CCCF)C2)c1 1426538595 BRXUARFJOVKITD-VXGBXAGGSA-N 308.313 -0.062 30 20 DBED C[C@@H](CNC(=O)c1c[nH]c(C#N)c1)NC(=O)CCn1ccnn1 1431799620 JKZMZPQYTMZIOY-JTQLQIEISA-N 315.337 -0.197 30 20 DBED CC(=O)NCC(=O)NCC1(NC(=O)c2ccc(C#N)[nH]2)CC1 1432128723 ZTDIEESEIZDMDG-UHFFFAOYSA-N 303.322 -0.599 30 20 DBED N#Cc1cn(CCC(=O)N2CCN3CC[C@H]2C3)c(=O)nc1O 1434003765 UKDRLZBCXMRLSE-NSHDSACASA-N 303.322 -0.873 30 20 DBED C=C(Cl)CN1CC[C@@](O)(CNC(=O)CS(C)(=O)=O)C1 1446760973 ZGVLOZVSNBPROJ-LLVKDONJSA-N 310.803 -0.664 30 20 DBED C[C@H](Nc1[nH]c(=O)n(C)c(=O)c1C#N)[C@H](C)N1CCOCC1 1458163383 DRYDYANKNFWLLJ-UWVGGRQHSA-N 307.354 -0.534 30 20 DBED C#CCNC(=O)CNC[C@@H]1CCCCN1C(=O)CNC(=O)OC 1480340397 XSUDMDFSMRWCCC-LBPRGKRZSA-N 324.381 -0.938 30 20 DBED C[C@H](C#N)C(=O)N1CCN(CCNC(=O)c2cncnc2)CC1 1493164348 QLFUIQQFWKXDAV-GFCCVEGCSA-N 316.365 -0.490 30 20 DBED COCCNC(=O)[C@H](C#N)C(=O)CC1(CS(C)(=O)=O)CC1 1523852733 PPKJCASCHKJHBF-SNVBAGLBSA-N 316.379 -0.327 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)[C@@H](NC(N)=O)C(C)(C)C)CC1 1535632369 GYWAARUGJUTVNS-VHSXEESVSA-N 323.397 -0.006 30 20 DBED C#CCCNCc1cc(O)nc(CNC(=O)CNC(=O)O)n1 1573301773 JVFZDYUIOFVYLB-UHFFFAOYSA-N 307.310 -0.821 30 20 DBED C=CCOC[C@H](NC(=O)c1cnc(C(=O)O)cn1)C(=O)OC 1573337787 UOEURWBVYMAIFA-JTQLQIEISA-N 309.278 -0.351 30 20 DBED C#CCn1ccc(CN(CC)C(=O)c2cnnn2C2CNC2)n1 1574759342 JBXCEXMCVVDIBC-UHFFFAOYSA-N 313.365 -0.086 30 20 DBED N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCC(=O)O)c1 1574790716 LIWNZTOPJWGDJZ-UHFFFAOYSA-N 300.267 -0.063 30 20 DBED N#CCC1(O)CN([C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)C1 1581857714 GKMQYXDDBMZEKK-LLVKDONJSA-N 313.321 -0.647 30 20 DBED N#Cc1ncc(NCCC[C@@H]2C=NNC2=O)nc1-c1nn[nH]n1 1581884002 GKAHFCNJHFFNTE-SSDOTTSWSA-N 312.297 -0.548 30 20 DBED C=C(C)C[C@H](CO)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cn1 1588404176 DVKLAGZUQRSNOP-SNVBAGLBSA-N 324.366 -0.133 30 20 DBED C#CCNC(=O)CN1CCC(N(C)C(=O)[C@@H]2C[C@@H]2C(=O)O)CC1 1588483796 JGZBAHZAGIRHSY-OLZOCXBDSA-N 321.377 -0.621 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H]1CCN(c2ncc(C(=O)O)cn2)C1 1588490453 NGIXYICMGPPFCY-JQWIXIFHSA-N 318.333 -0.092 30 20 DBED COC(=O)CC1(Cn2c(N)nc(C#N)c2-c2nn[nH]n2)CC1 1591258655 BPQYPRYIGRHSCY-UHFFFAOYSA-N 302.298 -0.140 30 20 DBED N#Cc1ccsc1NC(=O)C(=O)N1CCC[C@@H](O)[C@H]1C(=O)O 1601129500 HPARXBKNUNVJCI-BDAKNGLRSA-N 323.330 -0.005 30 20 DBED CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N1CC(O)(C(=O)O)C1 1603364476 AMMSRDLANIOMPJ-ZDUSSCGKSA-N 312.322 -0.094 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CCN(CC(=O)O)CC1 1605438737 LNDWLZAFOTYTAV-UHFFFAOYSA-N 304.372 -0.831 30 20 DBED N#Cc1cn(CC(=O)O)c(=O)n(Cc2cccc(F)n2)c1=O 1605623157 YOTQNGVPFIVETC-UHFFFAOYSA-N 304.237 -0.451 30 20 DBED Cn1c(N2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)O)c(C#N)c(=O)n(C)c1=O 1610598228 DWLRVEUIMCHAID-IQJOONFLSA-N 318.333 -0.355 30 20 DBED N#Cc1ncn(CC(=O)N2CCC([C@@H]3OCCC[C@@H]3N)CC2)n1 1645909339 LTNBPYLQCAMHAI-WFASDCNBSA-N 318.381 -0.105 30 20 DBED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C 1649788119 CCUCKBMZFBHQQZ-LDYMZIIASA-N 316.362 -0.133 30 20 DBED C=CCn1cc(C(=O)NC[C@H](C)NCc2cnnn2CC)nn1 1752902567 DXBIQYPQKRXGOQ-NSHDSACASA-N 318.385 -0.016 30 20 DBED C=CCn1cc(C(=O)NC[C@H](C)NCc2n[nH]c(C)n2)nn1 1752903539 QJWMQHNMWHIGCI-VIFPVBQESA-N 304.358 -0.201 30 20 DBED CN(CCNCC(=O)NCC#N)C(=O)c1cccnc1N(C)C 1753260608 TXXVAWCPLJXHQT-UHFFFAOYSA-N 318.381 -0.551 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@H](CCNC(=O)c2cn[nH]c2)C1 1753323413 VXFQHIASYACHOL-STQMWFEESA-N 317.393 -0.011 30 20 DBED CN(CC#N)C[C@H]1CCN(C(=O)CS(=O)(=O)N(C)C)C1 1753358446 OLWQCAPYEDRWNS-LLVKDONJSA-N 302.400 -0.818 30 20 DBED C=CCNC(=O)CNC[C@H](C)CNC(=O)[C@H]1CCNC(=O)C1 1753610508 UAEZCSVCRVOAFP-RYUDHWBXSA-N 310.398 -0.843 30 20 DBED C=CCOCCN1CCO[C@@H](CNC(=O)c2cn(C)nn2)C1 1753650485 TWQOCVKYNVKYOJ-LBPRGKRZSA-N 309.370 -0.552 30 20 DBED COCC#CCN(C)CCN(C)C(=O)[C@@H]1CCS(=O)(=O)C1 1753856787 VMUJVRJBYNQCGA-CYBMUJFWSA-N 316.423 -0.539 30 20 DBED C=C(C)CNC[C@@H](O)CNC(=O)Cc1nnn(C(C)(C)C)n1 1753920077 NNMSJKZDZWGOLH-LLVKDONJSA-N 310.402 -0.387 30 20 DBED CC#CCNC[C@@H](O)CNC(=O)c1cc2c(O)ncnc2cn1 1753935730 WJYWDXVBPXTFPI-SNVBAGLBSA-N 315.333 -0.566 30 20 DBED CCn1ncc(C(=O)N[C@@H](C)CCNCC(=O)NCC#N)c1C 1754009096 WWDINZRZUGYNJJ-NSHDSACASA-N 320.397 -0.051 30 20 DBED C#CCNC(=O)[C@H](C)NCCN(CC)C(=O)[C@@H]1CCN(C)C1=O 1754063035 YYKYBOTZOHNCIL-QWHCGFSZSA-N 322.409 -0.959 30 20 DBED CC#CCNC[C@@H](C)NC(=O)Cn1ncn2nccc2c1=O 1754243189 CNHILGASPZLEFE-LLVKDONJSA-N 302.338 -0.991 30 20 DBED C#CCNC(=O)CN(C)C[C@H](C)NC(=O)c1ccc(C(N)=O)o1 1754315105 HKQDPXMQPHIIGJ-JTQLQIEISA-N 320.349 -0.822 30 20 DBED C=CCNC(=O)CNC[C@@H](NC(=O)[C@H]1CCC(=O)NC1)C1CC1 1754445413 RMTGSBHIBQNKHH-QWHCGFSZSA-N 322.409 -0.701 30 20 DBED C=CCN1CCC2(CC1)CN(C(=O)CS(=O)(=O)N(C)C)C2 1754962805 OWNQOYHWOAOBPJ-UHFFFAOYSA-N 315.439 -0.012 30 20 DBED C#CCCNC[C@H]1CN(C(=O)[C@@H](C)CS(C)(=O)=O)CCO1 1755016690 DQWOBQMMBZIMSD-STQMWFEESA-N 316.423 -0.493 30 20 DBED CC#CCN[C@H](CO)CNC(=O)C1(S(C)(=O)=O)CCC1 1755644076 WPYLMRBFTOREFX-NSHDSACASA-N 302.396 -0.956 30 20 DBED CC#CCN[C@H]1C[C@@H](C)N(C(=O)c2cn(C)c(=O)n(C)c2=O)C1 1755687091 SMGKYAPUGFXXNM-NEPJUHHUSA-N 318.377 -0.700 30 20 DBED COCCOCC(=O)NC1(CCO)CN(C(=O)C#CC2CC2)C1 1756078863 ZXTRLCCWVLVEGR-UHFFFAOYSA-N 324.377 -0.858 30 20 DBED C=CCOCC(=O)N1CCO[C@@H]([C@@H](C)NC(=O)c2cc[nH]n2)C1 1756218272 RFSJAWRKJUELRK-DGCLKSJQSA-N 322.365 -0.042 30 20 DBED C=CCCO[C@H](C)C(=O)N1CC2(CCCN(C(=O)C(N)=O)C2)C1 1756234080 DJEDHKYGPHTVPS-GFCCVEGCSA-N 323.393 -0.096 30 20 DBED CC(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC#N 1795083848 TZFSPPMDEBSKBR-SGESHTKJSA-N 322.365 -0.986 30 20 DBED N#CC1(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@@H](N)CN)C3)CC1 1795846089 CCHRWCQMNCBUAV-USZNOCQGSA-N 305.382 -0.786 30 20 DBED C=CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NC=O 1799293243 RIKQBGCMIOHWJS-FMSGJZPZSA-N 309.366 -0.713 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C)[nH]n1)C2 1800453699 KIVDRRUNZPNKCZ-GNXNZQSNSA-N 302.334 -0.445 30 20 DBED C[C@H](S)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CNC(N)=O 1804478226 MEVIHQNCICKPJI-QEYWKRMJSA-N 314.411 -0.389 30 20 DBED Cc1nocc1C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846195114 COMVMJKKKWQNPP-UHFFFAOYSA-N 317.301 -0.112 30 20 DBED CC(C)(C#N)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CNC(=O)C1 1847347642 LOTVYHZHAVCUOM-WOPDTQHZSA-N 318.377 -0.126 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(CN(CC)C2CC2)c1=O 121891098 SNURBBJAHNXEPF-UHFFFAOYSA-N 306.366 -0.015 30 20 DBED C=C(C)CN1CCC(NC(=O)NCCS(N)(=O)=O)CC1 171598183 MOGXDPPVHPVNDD-UHFFFAOYSA-N 304.416 -0.385 30 20 DBED C#CCCCCC(=O)N[C@@H](C)C(=O)N1CCS(=O)(=O)CC1 180026514 XJRASKIMVZWEED-LBPRGKRZSA-N 314.407 -0.058 30 20 DBED COC[C@@H]1CN(/C(=N/C(C)C)NCC(=O)N(C)C)CCO1 185528241 ZZNXBXIIUJKIGI-LBPRGKRZSA-N 300.403 -0.224 30 20 DBED N#Cc1ccc(S(=O)(=O)N[C@@H]2CCCS(=O)(=O)C2)cn1 227528389 TUUVYSZBWQZBLI-SNVBAGLBSA-N 315.376 -0.191 30 20 DBED C#CCNc1nc(N2CC[C@H](O)C2)nc(N2CC[C@H](O)C2)n1 287695718 DUDSJAWRZMFQRU-QWRGUYRKSA-N 304.354 -0.941 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CCO[C@H](C)C2)C1=O 297989572 XFXQWGIVYKLDBT-NEPJUHHUSA-N 309.366 -0.521 30 20 DBED Cn1c(N2CC[C@@H](N3CCCC3)C2)c(C#N)c(=O)n(C)c1=O 301162980 SWTLJQKHCSAKJH-LLVKDONJSA-N 303.366 -0.370 30 20 DBED CN1CCO[C@H](/C(O)=N/C/C(O)=N/CCN2CCOCC2)C1 329943591 HUYKJIYCQFAQBY-LBPRGKRZSA-N 314.386 -0.438 30 20 DBED Cn1cc(N2CCN(C(=O)Cn3cnc(C#N)n3)CC2)cn1 331656011 LZJGIRVMISLKKS-UHFFFAOYSA-N 300.326 -0.768 30 20 DBED CCN(CCC#N)S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)OC 337089758 ITZXHECZOHMEJW-UWVGGRQHSA-N 305.356 -0.925 30 20 DBED COCCNC(=O)CN1CCN(C(=O)CSCC#N)CC1 344817213 WGQQGGSKTGXIBX-UHFFFAOYSA-N 314.411 -0.850 30 20 DBED CN(C)CCN(C[C@H]1CCCO1)C(=O)NCC(=O)NCC#N 358275835 NVNNMWQWGAFXNS-GFCCVEGCSA-N 311.386 -0.622 30 20 DBED CCN1C(=O)[C@@H]2CN([C@H](C)C(=O)N(C)CCC#N)CCN2C1=O 369451926 MFRVBTJTKOUBKB-NEPJUHHUSA-N 321.381 -0.285 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N(C)[C@@H]1CCS(=O)(=O)C1 407976817 VNZURPRXAKVCEF-VHSXEESVSA-N 309.413 -0.416 30 20 DBED C=CCN(C(=O)CCNC(=O)NC)[C@@H]1CCS(=O)(=O)C1 431385438 MBDKBRPRMPFVLO-SNVBAGLBSA-N 303.384 -0.493 30 20 DBED COC[C@@](C)(C#N)NC(=O)CNS(=O)(=O)CCOC(C)C 433975597 UXRYIBHMPRTSBB-GFCCVEGCSA-N 321.399 -0.624 30 20 DBED CC[C@@H](C#N)NC(=O)[C@H](C)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 484428287 GFHXTFAZECKVHQ-URIQBSJHSA-N 305.334 -0.044 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@H]2C[C@]23CCOC3)CC1 491524909 OXPFEDXAVXEHCE-CJNGLKHVSA-N 305.378 -0.693 30 20 DBED C#C[C@@H](C)N(C)S(=O)(=O)c1cccc(S(N)(=O)=O)c1 491718909 XALPUDXRWOZVLU-SECBINFHSA-N 302.377 -0.024 30 20 DBED C#CCN1CCN(C(=O)CN[C@@]2(CCOC)CCOC2)CC1 491778425 IZFHNIWGYCCWEY-INIZCTEOSA-N 309.410 -0.451 30 20 DBED C#CCNC(=O)C1CCN(C(=O)N[C@@H]2CC(=O)N(C)C2)CC1 491815803 LWNKGADRQRKFAV-GFCCVEGCSA-N 306.366 -0.612 30 20 DBED N#Cc1nc(=NCCN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc[nH]1 520429443 OQDCKDNZFPIJJF-DUBDDPSESA-N 309.329 -0.011 30 20 DBED C=CCOC[C@H](NS(=O)(=O)c1cn(CC)cn1)C(=O)O 569599061 KZZMKLFUEBCIQC-VIFPVBQESA-N 303.340 -0.163 30 20 DBED N#Cc1ccc(NCC(=O)N2CCN(c3ncc[nH]3)CC2)nc1 572301512 HFXNYLYQERBWGR-UHFFFAOYSA-N 311.349 0.437 30 20 DBED CCCN1CC[C@@H](NC(=O)C(=O)Nc2ccn(CCC#N)n2)C1 595194199 KJYRWZWZRLEJOD-GFCCVEGCSA-N 318.381 0.336 30 20 DBED CC(C)(CCC#N)CNC(=O)NCCOCCS(N)(=O)=O 596623179 STKRBKVZVDJHPB-UHFFFAOYSA-N 320.415 -0.079 30 20 DBED C[C@H](C(=O)NC(C)(C)CN1CCOCC1)n1cnc(C#N)n1 598742493 VHMUGTNDRKKNSB-LLVKDONJSA-N 306.370 -0.062 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N1CCN(Cc2cn[nH]c2)CC1 599440509 MGQKGIWNYBHJLM-GFCCVEGCSA-N 320.397 -0.072 30 20 DBED N#CCCN1CCN(C(=O)C(=O)NCCc2cscn2)CC1 602230320 JXDPQYADNULDTK-UHFFFAOYSA-N 321.406 -0.140 30 20 DBED CN1CCN(C(C)(C)CNC(=O)N2CCO[C@@H](C#N)C2)CC1 609281948 DBMIZAXQKVZKJJ-ZDUSSCGKSA-N 309.414 -0.054 30 20 DBED CN(CCC#N)S(=O)(=O)N1CCO[C@@H]([C@@H]2CCCO2)C1 610701795 WYJPGKMEPYDWKZ-NWDGAFQWSA-N 303.384 -0.044 30 20 DBED C=CCN(CC=C)C(=O)C(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1OC 612195192 CQKCXVUXZZADAI-MNOVXSKESA-N 316.379 -0.885 30 20 DBED CC#CCNCc1cn(CC(=O)NC2CCN(CC)CC2)nn1 640867995 WHVVSBDOIXZHPN-UHFFFAOYSA-N 318.425 -0.009 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)C1(C(=O)NC)CCC1 730045786 MRIDRYAVMHKUNC-VIFPVBQESA-N 311.338 -0.154 30 20 DBED CNC(=O)CNC(=S)NN=C1Oc2cc(O)cc(C)c2C1=O 731927364 UFMMMLJMDMPZPH-UHFFFAOYSA-N 322.346 -0.201 30 20 DBED CC#CCNC(=O)N1CCN(S(=O)(=O)N(CC)CC)CC1 762602157 LGJKBVJAEGYBHH-UHFFFAOYSA-N 316.427 -0.077 30 20 DBED N#Cc1ccc(NCC(=O)NC[C@H]2CC(C(N)=O)=NO2)nc1 793897282 CGHKKEKXYMFTDK-SECBINFHSA-N 302.294 -0.888 30 20 DBED C#CCCCS(=O)(=O)NC[C@@H]1CCC[C@]12NC(=O)NC2=O 805022043 HBZCASRJFXZPLG-GWCFXTLKSA-N 313.379 -0.303 30 20 DBED CC(C)C(=O)N[C@@H](CO)C(=O)NCCNc1ncccc1C#N 813423164 VYWJYCNFOOCSFL-LBPRGKRZSA-N 319.365 -0.386 30 20 DBED Cn1cnc(S(=O)(=O)NCC(=O)OCCOCCC#N)c1 815217951 LTLDAAVMJJOSQO-UHFFFAOYSA-N 316.339 -0.828 30 20 DBED C#CC[C@H](CO)NC(=O)CCN1C(=O)NC2(CCCC2)C1=O 816674843 LRGNRPIEUSCWDK-LLVKDONJSA-N 307.350 -0.259 30 20 DBED CN(C)c1nc(Cn2cnc(C#N)c2-c2nn[nH]n2)ns1 825883963 SDCDMNLDMCNUCS-UHFFFAOYSA-N 302.327 -0.099 30 20 DBED Cc1nn(CC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c(=O)n1C 846870980 QRIYDZOFKPFFHC-LBPRGKRZSA-N 304.354 -0.911 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)[C@@H]1CCCS1(=O)=O 848858996 CBOKPADFPLWTCN-QMMMGPOBSA-N 304.324 -0.881 30 20 DBED C#CCN1CCN(S(=O)(=O)N2CCC(OC)CC2)CC1 849383560 RQBDHEHRUCGAQK-UHFFFAOYSA-N 301.412 -0.407 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N[C@H]1CCN(C2CC2)C1 875133645 MRETXAFWSSQKDW-STQMWFEESA-N 307.394 -0.116 30 20 DBED C#CC1(O)CN(C(=O)CC[C@@H](C)CC(=O)N2CC(O)(C#C)C2)C1 890522929 NTEDBULRNTXXNX-CYBMUJFWSA-N 318.373 -0.794 30 20 DBED C=CCOCCOCCOC(=O)C1CN(S(C)(=O)=O)C1 893223760 XSWZRUODNHTVOQ-UHFFFAOYSA-N 307.368 -0.360 30 20 DBED CN(CC(=O)[C@@H](C#N)C(=O)NC1CCCC1)S(C)(=O)=O 917045204 UGTQUHNLVLIEMG-SNVBAGLBSA-N 301.368 -0.355 30 20 DBED C#CC1(O)CCN(S(=O)(=O)c2c[nH]c(C(=O)OC)c2)CC1 917929561 SXJPXWZHGLITAP-UHFFFAOYSA-N 312.347 -0.050 30 20 DBED CN1CCN(C(=O)CNS(=O)(=O)CC(C)(C)CC#N)CC1 920527428 OZIQJIVXOXKBKB-UHFFFAOYSA-N 316.427 -0.380 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCN(C(=O)[C@H](C)OC)C2)nn1 937970502 WVVAWIJSKMHCLD-QWRGUYRKSA-N 307.354 -0.170 30 20 DBED Cn1nnc(C(=O)N[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)n1 938459724 LGWHCFKUNXLAEB-VIFPVBQESA-N 314.309 -0.946 30 20 DBED C=CCN[C@@H]1CN(C(=O)c2c[nH]nc2S(N)(=O)=O)C[C@H]1C 939119445 MCWZUBXNRWUGOB-PSASIEDQSA-N 313.383 -0.707 30 20 DBED C#Cc1ccc(C(=O)N(CC)[C@@H]2CCN(C(=O)C(N)=O)C2)nc1 942893132 MCRGHZQXADOTNE-GFCCVEGCSA-N 314.345 -0.389 30 20 DBED C[C@H]1C[C@H](NC(=O)CN2C(=O)CN(C)C2=O)CCN1CC#N 948011231 GWTOLMFMVDBCHA-WDEREUQCSA-N 307.354 -0.627 30 20 DBED C[C@@]1(C(=O)N2CCOC3(CCN(CC#N)CC3)C2)CNC(=O)C1 949148009 QWPOKTGXKMAFHL-HNNXBMFYSA-N 320.393 -0.270 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]1CNC(=O)c1cncc(C(N)=O)c1 950117216 ZOPWQPKXKIUEGL-CABZTGNLSA-N 315.333 -0.329 30 20 DBED C=CCn1cc(C(=O)N(CC)C2CN([C@@H](CC)C(N)=O)C2)nn1 952425089 GBRJQGLASHSIST-ZDUSSCGKSA-N 320.397 -0.126 30 20 DBED C[C@H](NC(=O)c1ccc(C#N)[nH]1)[C@H]1CCCCN1C(=O)C(N)=O 953649380 OFFHOFQWEJYCTC-JOYOIKCWSA-N 317.349 -0.129 30 20 DBED CC(=O)N1CCOC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@H](C)C#N)C1 954419778 XRSAGJUKPJTEFH-GWCFXTLKSA-N 322.365 -0.937 30 20 DBED C#Cc1ccc(C(=O)N(C)C2CN(C(=O)Cn3cncn3)C2)nc1 954912890 MVOQTEIGRPFXEL-UHFFFAOYSA-N 324.344 -0.363 30 20 DBED N#CCN1C[C@H](O)[C@H](CNC(=O)c2ccnc3c2CC(=O)N3)C1 958214505 IKBKVVOGGRXGBV-SKDRFNHKSA-N 315.333 -0.878 30 20 DBED C=CCN1C[C@H](O)[C@H](CNC(=O)c2cc(C(N)=O)cn2C)C1 958218116 ABJXMBUEZNOBCL-YPMHNXCESA-N 306.366 -0.668 30 20 DBED C#CCN1C[C@H](CNC(=O)c2cccc(NC(N)=O)c2)[C@@H](O)C1 958658273 XHWHJNXNNKUDLB-JSGCOSHPSA-N 316.361 -0.167 30 20 DBED C=C(C)C(C)(C)C(=O)N1C[C@H](O)[C@H](NC(=O)c2ncn(C)n2)C1 962724013 UFBIBZZLDWJOQR-MNOVXSKESA-N 321.381 -0.281 30 20 DBED CC(=O)N1CCN(C2CN(C(=O)c3cc(C#N)c[nH]3)C2)CC1 967144884 AINMKYXFBPFLCI-UHFFFAOYSA-N 301.350 -0.125 30 20 DBED C#CCN1CC[C@H](C)[C@H](NC(=O)Cn2ccc(O)nc2=O)C1 967274713 RXEHIGKQIGGQFK-NWDGAFQWSA-N 304.350 -0.591 30 20 DBED C[C@H](C#N)C(=O)N1CCC2(CC1)CN(C(=O)CC(N)=O)CCO2 967689578 POKQDDJWEHVJRC-LLVKDONJSA-N 322.365 -0.759 30 20 DBED CCN(C(=O)[C@H]1CC[C@@H]1C(N)=O)C1CN(C(=O)C#CC2CC2)C1 968207109 UMEQPDXQNVWWRV-KBPBESRZSA-N 317.389 -0.029 30 20 DBED CC#CCN1CCO[C@]2(CCN(C(=O)C[C@@H]3CCC(=O)N3)C2)C1 972595586 CRWLOMKSTQJBFN-WMLDXEAASA-N 319.405 -0.018 30 20 DBED C#CCN1CCCC2(C1)CN(C(=O)C1CC(=O)NC(=O)C1)C2 982070778 ZXOIVJGWCKHUTD-UHFFFAOYSA-N 303.362 -0.403 30 20 DBED C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)CN2CC(=O)NC2=O)C1 989565334 FUDNZIBIUFHADJ-NXEZZACHSA-N 314.773 -0.130 30 20 DBED Cn1cncc1CC(=O)N1CC(NC(=O)c2ccc(C#N)[nH]2)C1 990888184 RFMJFTLJKZUYGM-UHFFFAOYSA-N 312.333 -0.197 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(NC(=O)c2cn(C)nn2)C1 991181373 VCRGFCSQJLOGTQ-YPMHNXCESA-N 319.365 -0.263 30 20 DBED Cc1cc(C(=O)N[C@@H]2CCN(C(=O)C#CC3CC3)C[C@H]2O)n[nH]1 991325190 OPICAHJPQJBATM-TZMCWYRMSA-N 316.361 -0.177 30 20 DBED Cn1cnc(C(=O)N[C@H]2CCN(C(=O)C#CC3CC3)C[C@H]2O)c1 991390509 RPFROSQCUVUSNR-GXTWGEPZSA-N 316.361 -0.475 30 20 DBED O=C(N[C@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1O)c1ncc[nH]1 991458379 QINQKVWOTIFJLE-RYUDHWBXSA-N 302.334 -0.485 30 20 DBED C=CC(C)(C)C(=O)N1CC(NC(=O)C2CS(=O)(=O)C2)C1 991919478 MSHPZDJYUAFDJQ-UHFFFAOYSA-N 300.380 -0.430 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN(C(=O)c2cnns2)C1 994753347 ZBFNTBQCWGWHRR-NSHDSACASA-N 319.390 -0.424 30 20 DBED C#Cc1cncc(C(=O)NCC2CN(C(=O)c3cnn(C)n3)C2)c1 1004198367 CRYSFCBWRPAAHP-UHFFFAOYSA-N 324.344 -0.307 30 20 DBED Cn1[nH]c(CN2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)nc1=O 1010457891 PDGGXZVMEXJHNI-JTQLQIEISA-N 315.337 -0.688 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCCN(C(=O)[C@H]3COC(=O)N3)C2)C1 1010829257 CUMDDRMXQCFLFP-WDEREUQCSA-N 320.349 -0.295 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2C(NC(=O)Cc3cnn(C)c3)[C@H]2C1 1012851564 JOESHTBHVXKIIP-USWWRNFRSA-N 301.350 -0.305 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1=CCN(C(=O)C(N)=O)CC1 1017485031 AELNOPHVCXRWGQ-STQMWFEESA-N 321.377 -0.272 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CCN(C(=O)CN3CCOCC3)[C@@H]2C1 1021414628 BHKBNSBZGWKALM-MELADBBJSA-N 320.393 -0.462 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]2CN(C(=O)CCn3cnnn3)C[C@H]21 1022566547 GPEUGGZXDYWTHH-GRYCIOLGSA-N 317.353 -0.718 30 20 DBED C=CCN1CC[C@@H](NC[C@@H]2CCN(C(=O)c3cnn[nH]3)C2)C1=O 1026937755 ZTNAXSICENEVDL-NWDGAFQWSA-N 318.381 -0.357 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)C[C@H]3COC(=O)C3)C2)C1=O 1030216876 MXYICEFOUCJMGC-DGCLKSJQSA-N 321.377 -0.473 30 20 DBED C=C(Br)CN1CC(NC(=O)[C@H]2CN(C)C(=O)N2)C1 1030795136 LKLFDLUGSISMQN-SECBINFHSA-N 317.187 -0.281 30 20 DBED C#CCN1CC[C@H](N(C)C(=O)C2CC3(C2)CS(=O)(=O)C3)C1 1033197880 SSABSDZDLSHIQM-ZDUSSCGKSA-N 310.419 -0.023 30 20 DBED N#CCN[C@H]1CC[C@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)CC1 1034797647 RXIQRCGDQOPDDH-DCAQKATOSA-N 300.384 -0.781 30 20 DBED C=CCN1CCO[C@H](CNC(=O)[C@@H]2CCc3nnc(O)n3C2)C1 1035425248 UMEGWUHZYPWXFZ-VXGBXAGGSA-N 321.381 -0.451 30 20 DBED CC#CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)Cc1ccc(C(N)=O)nc1 1037466283 ZWTJMXLQLHDXNH-IVMMDQJWSA-N 312.373 -0.065 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2[C@H]3C[C@H]2N(Cc2nnnn2C)C3)nc1 1037691514 XWMAECKFGTYTQV-LNSITVRQSA-N 323.360 -0.411 30 20 DBED C=C(Br)CN1CC[C@H]1CNC(=O)[C@H]1CNC(=O)N1 1038649573 ICHYKYFWHMXJPK-DTWKUNHWSA-N 317.187 -0.233 30 20 DBED C=CCCn1cc(C(=O)NC[C@H]2CCN2[C@@H]2CCNC2=O)nn1 1038789602 JQWAXDQJWPMPLK-DGCLKSJQSA-N 318.381 -0.453 30 20 DBED N#Cc1ccc(N2CCO[C@H]3CCN(C(=O)C(N)=O)C[C@H]32)nc1 1040001868 WKAQXWQJMSGZHG-NEPJUHHUSA-N 315.333 -0.755 30 20 DBED C=CCCOCC(=O)NC[C@@]1(O)CCN(C(=O)c2cnn[nH]2)C1 1040162043 SNXQNYKNWNGVKJ-AWEZNQCLSA-N 323.353 -0.909 30 20 DBED COCC1(C(=O)NC[C@@]2(O)CCN(C(=O)[C@@H](C)C#N)C2)CC1 1040299071 YDHJCRUNQBPDGC-NHYWBVRUSA-N 309.366 -0.348 30 20 DBED Cc1ncc(C(=O)N[C@@H]2CN(c3ccc(C#N)cn3)C[C@H]2O)[nH]1 1040951809 KQIQTNKDHRKOKX-CHWSQXEVSA-N 312.333 -0.036 30 20 DBED C#CCC1(C(=O)N2CC(O)(CNC(=O)[C@@H]3CCOC3)C2)CCC1 1041883951 OARJMQDXARPTBH-CYBMUJFWSA-N 320.389 -0.094 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)c2ccnn2C)C1 1041919349 JAOUCFRGGKIDDU-UHFFFAOYSA-N 306.366 -0.065 30 20 DBED Cc1nn(C)cc1C(=O)NCC1(O)CN(C(=O)[C@H](C)C#N)C1 1042144814 DMRLEZMXBVUDGM-SECBINFHSA-N 305.338 -0.809 30 20 DBED C#CCCCCC(=O)NCC1(O)CN(C(=O)c2nonc2C)C1 1042663832 HIDQNFRBJMVALG-UHFFFAOYSA-N 320.349 -0.125 30 20 DBED C#CCNC(=O)CC(=O)NCC1(O)CN(C(=O)/C(C)=C/CC)C1 1042672755 YXYFMJVVFYVFPR-WUXMJOGZSA-N 321.377 -0.828 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)CN2CCC[C@@H]2C)C1 1042939859 HOTVXFDMQVKAQP-AWEZNQCLSA-N 321.421 -0.180 30 20 DBED C=CCn1cc(C(=O)NCC2(O)CN(C(=O)/C(C)=C/C)C2)nn1 1043105950 LPZBCMDTLRRZRB-VZUCSPMQSA-N 319.365 -0.267 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)[C@H]2CC(=O)N[C@@H](C)C2)C1 1043749948 JLPZIAOERFANSF-NWDGAFQWSA-N 323.393 -0.443 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)CCc2cnn[nH]2)C1 1044475555 UITGDLZWMMAFAS-UHFFFAOYSA-N 321.381 -0.361 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H](C)CO2)C1 1044564455 NXXQIBSFCMKCQT-RYUDHWBXSA-N 312.366 -0.697 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]2CC[C@@H](C1)N2Cc1nnn(C)n1 1045733693 NSPFPCMASCZVST-TUAOUCFPSA-N 303.370 -0.065 30 20 DBED C=CCC1(C(=O)NCC2(O)CN(C(=O)CNC(C)=O)C2)CCC1 1045794727 SLZVLDSDSGESEI-UHFFFAOYSA-N 323.393 -0.442 30 20 DBED C=CCCN1CC[C@](C)(NC(=O)[C@H]2CCS(=O)(=O)N2)C1 1046844819 SFJFYPMOFQRQHD-YPMHNXCESA-N 301.412 -0.165 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCN2C)C1 1048562782 TWAPSMJWISJKEG-KKUMJFAQSA-N 321.421 -0.230 30 20 DBED C#CCCN1C[C@H]2CN(C(=O)CC3CS(=O)(=O)C3)C[C@H]2C1 1048904357 PNXRQBNCJRADKJ-OKILXGFUSA-N 310.419 -0.165 30 20 DBED CCN(C)C(C)(C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)C#N)C1 1049401334 DUXXLABZBCVDSX-AVGNSLFASA-N 324.425 -0.094 30 20 DBED C#CCCN1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC(=O)NC(=O)N1 1049750964 ATEZXCCQTNWCIG-AVGNSLFASA-N 318.377 -0.327 30 20 DBED C#CCCCC(=O)N1CC[C@H]([C@@H](C)NC(=O)c2nnn(C)n2)C1 1050596145 TYDZJOYSVBNWFC-NEPJUHHUSA-N 318.381 -0.020 30 20 DBED C#CCCN1CCOC[C@H]1CNC(=O)[C@H]1CCc2nn[nH]c2C1 1051208902 FNGPJNMOTCGCII-QWHCGFSZSA-N 317.393 -0.250 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)C1CCN(C(N)=O)CC1 1051238181 HKUWCSXKUKKSRU-ZDUSSCGKSA-N 308.382 -0.773 30 20 DBED C=CCN1CCN([C@@H]2CCN(C(=O)[C@H]3CCC(=O)N3)C2)CC1 1051998308 RMINXNAGMPYKSO-ZIAGYGMSSA-N 306.410 -0.331 30 20 DBED C=CCCC(=O)N1C[C@@H](C)[C@@H](CNC(=O)Cn2cnnn2)C1 1052173807 AKMHBHZNPHXITE-NEPJUHHUSA-N 306.370 -0.150 30 20 DBED C=CCOCC(=O)N1C[C@H](C)[C@H](CNC(=O)Cn2nccn2)C1 1052221300 PJNHKPYLTJNATK-QWHCGFSZSA-N 321.381 -0.309 30 20 DBED C#CCOCCC(=O)N1C[C@H](CNC(=O)CC(=O)NC)[C@@H](C)C1 1052599870 QELUBXJMJILPOH-STQMWFEESA-N 323.393 -0.627 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)Cn2ncnn2)C[C@H]1C 1052662411 TYNUQNHOBYAVPP-OLZOCXBDSA-N 318.381 -0.457 30 20 DBED C#CCN1CC2(C1)CN(C(=O)c1cnc(OC)nc1)CCO2 1053495446 LTLSXMHRWNAOLS-UHFFFAOYSA-N 302.334 -0.355 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)[C@H]3CCN(C)C(=O)C3)CO2)C1 1053849352 IJZNXJRFOHOEDC-KBPBESRZSA-N 319.405 -0.162 30 20 DBED COCCn1ccc(C(=O)N[C@@H]2COC3(C2)CN(CC#N)C3)n1 1053867870 VHZDMXWOIJIEJA-LBPRGKRZSA-N 319.365 -0.374 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)c3cn(C)c(=O)cn3)CO2)C1 1053874919 NAQRMDPLSXDLKZ-LBPRGKRZSA-N 316.361 -0.623 30 20 DBED C=C(C)CCN1CC2(C[C@H](NC(=O)[C@@H]3CNC(=O)N3)CO2)C1 1053911150 YCYLGIXSJAOWID-RYUDHWBXSA-N 308.382 -0.407 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)c3ccc(C(N)=O)[nH]3)CO2)C1 1053926619 JVDXTAICMPINTE-SNVBAGLBSA-N 302.334 -0.680 30 20 DBED C#CCN1CC[C@@]2(CCCN(C(=O)c3nnc(O)nc3O)C2)C1 1054159269 JFMVPCUYFCYYTJ-HNNXBMFYSA-N 317.349 -0.156 30 20 DBED N#Cc1ccc(N2CCN(C(=O)CCc3nc[nH]n3)CC2)nn1 1055763962 QXNIIWREJBTGHW-UHFFFAOYSA-N 312.337 -0.252 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@](CO)(NC(=O)CN2CCCC2)C1 1055953958 LXSMPECXQBOGRM-CJNGLKHVSA-N 322.409 -0.288 30 20 DBED N#Cc1cnccc1N1C[C@H]2C(NC(=O)Cn3nccn3)[C@@H]2C1 1056315969 NNXWTXNOLHMBIP-VXGBXAGGSA-N 309.333 -0.204 30 20 DBED Cc1cc(C#N)nc(N[C@@H]2CCN(C(=O)[C@@H]3CCNC3=O)C2)n1 1056744769 HKZOARBCFWKVPT-ZYHUDNBSSA-N 314.349 -0.194 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)c1cc[n+]([O-])cc1 1056879198 VVIWMPITQXMZJN-LLVKDONJSA-N 306.322 -0.970 30 20 DBED CN(c1ccnc(C#N)n1)[C@@H]1CCN(C(=O)Cn2ncnn2)C1 1056967783 KAHVCWYQRZLCSO-SNVBAGLBSA-N 313.325 -0.928 30 20 DBED C#CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)c1coc(C)n1 1057583698 XUEJHSMLMCUTTE-NSHDSACASA-N 323.349 -0.428 30 20 DBED C#CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)C1=CCOCC1 1057583778 ZHERLRDVGXDSSC-ZDUSSCGKSA-N 324.377 -0.692 30 20 DBED O=C(C#CC1CC1)NCCN(CCO)C(=O)C12CCN(CC1)C2 1058161990 GRSOUCPKHTVOHI-UHFFFAOYSA-N 319.405 -0.567 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)[C@]1(C)CCCOC1 1058589214 XJLKBEYTVGHIDY-IUODEOHRSA-N 311.382 -0.100 30 20 DBED CCOc1nc(C(=O)NCCN(CCO)C(=O)[C@H](C)C#N)co1 1058652784 FFHXGZWATRDXRO-SNVBAGLBSA-N 324.337 -0.216 30 20 DBED Cc1cc(C#N)nc(N2C[C@@H]3CC[C@H](C2)N3C(=O)C(N)=O)n1 1058796026 SYJDADUOKMWVQF-PHIMTYICSA-N 300.322 -0.678 30 20 DBED N#Cc1cncc(N[C@H]2CCN(C(=O)[C@@H]3CCC(=O)NC3)C2)n1 1059114239 JZFPWDDUUUPNTO-MNOVXSKESA-N 314.349 -0.113 30 20 DBED N#Cc1ccc(N[C@H]2C[C@H](NC(=O)Cn3cnnc3O)C2)nn1 1059180526 JDAVIIJKHKMGQM-MGCOHNPYSA-N 314.309 -0.595 30 20 DBED N#Cc1cnc(N2CC[C@H](CNC(=O)[C@H]3CCC(=O)N3)C2)cn1 1061540068 WSVGGJOODHBZRG-ZYHUDNBSSA-N 314.349 -0.431 30 20 DBED C=CCO[C@H](C)C(=O)N1CCOC[C@@H]1CNC(=O)c1cnon1 1061805875 BYTXODVMQUADIF-MNOVXSKESA-N 324.337 -0.382 30 20 DBED CC(=O)NCC(=O)NCC1(NC(=O)c2c[nH]c(C#N)c2)CCC1 1062410380 PASCRPKBZGUWTQ-UHFFFAOYSA-N 317.349 -0.209 30 20 DBED N#Cc1cnccc1N1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1COC(=O)N1 1062481096 FTMYBCBBROTHMY-SRVKXCTJSA-N 313.317 -0.149 30 20 DBED C#CCNC(=O)CC(=O)NCC1(NC(=O)c2cc[nH]n2)CCC1 1062829505 PKWWDCUPJUJULJ-UHFFFAOYSA-N 317.349 -0.682 30 20 DBED C[C@H]1CCCN(C(=O)C(N)=O)[C@@H]1CNc1ccc(C#N)nn1 1063956441 JHZDWSAVTMKNOA-GXSJLCMTSA-N 302.338 -0.127 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)CCn2ccnn2)CCC1 1064302112 DHQANNAMPZCPFQ-NSHDSACASA-N 304.354 -0.017 30 20 DBED C=CCCOCC(=O)NC[C@@H]1CN(C(=O)COC)CCO1 1064756624 MPYYIZLPFGAHNM-GFCCVEGCSA-N 300.355 -0.431 30 20 DBED C[C@H]1CN(C(=O)Cn2nccn2)C[C@@H]1Nc1cnc(C#N)cn1 1067152424 AQLLBRMJTZQXBA-JQWIXIFHSA-N 312.337 -0.101 30 20 DBED N#Cc1ccc(NCC2CC(NC(=O)[C@H]3CNC(=O)N3)C2)nn1 1067883082 CWSXBURRGAKSCN-BOBPJJCASA-N 315.337 -0.664 30 20 DBED N#Cc1ccc(NCC2CC(NC(=O)[C@H]3CNC(=O)N3)C2)nc1 1067883792 QISYQBGMDRZNHO-HTAVTVPLSA-N 314.349 -0.059 30 20 DBED CC(=O)NCC(=O)N1CC2(CC[C@@H](CNC(=O)[C@@H](C)C#N)O2)C1 1068617671 DTGZDEIOEHAJQB-JQWIXIFHSA-N 322.365 -0.842 30 20 DBED C[C@@H]1[C@H](N=c2cc[nH]cc2C#N)CCN1C(=O)c1nnn(C)n1 1068928802 ROXMTARWEWDEQC-MWLCHTKSSA-N 312.337 -0.386 30 20 DBED CC1(C)CN(C(=O)CC(N)=O)C[C@@H]1N=c1cc[nH]cc1C#N 1069547264 FGCUZFCZQDPYFL-LBPRGKRZSA-N 301.350 -0.101 30 20 DBED CN(CC(=O)N1C[C@H](n2ccnn2)[C@H](NCC#N)C1)C1CCC1 1070209097 MBQIFJIKHFNGBE-KGLIPLIRSA-N 317.397 -0.373 30 20 DBED C=C[C@@H](CC)CC(=O)NCC1(NC(=O)C(N)=O)CCOCC1 1070230101 WBVBTXSLBHYDOL-NSHDSACASA-N 311.382 -0.144 30 20 DBED C#CCN1CC[C@]2(C1)CN(C(=O)Cc1nc[nH]n1)C[C@@H](C)O2 1071231773 USUYOCRNPVWILZ-DOMZBBRYSA-N 303.366 -0.328 30 20 DBED C=CCCOCC(=O)N1C[C@@H](C)[C@@H](NC(=O)c2cnnn2C)C1 1072333505 OEVYAEOFSHFTDM-NEPJUHHUSA-N 321.381 -0.016 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](NC(=O)c2cnn[nH]2)[C@H](C)C1 1074049499 QCEGCYBAXRJMKQ-VXGBXAGGSA-N 319.365 -0.189 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)c3cnn(C)c3N)C[C@@H]21 1074223169 VCTZDQCKFIFQNN-QWHCGFSZSA-N 303.366 -0.449 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)c3cc(=O)n(C)cn3)C[C@H]21 1074269363 VGEQBDGOEQINCF-KGLIPLIRSA-N 316.361 -0.671 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)c3cc(=O)n(C)cn3)C[C@H]21 1074269365 VGEQBDGOEQINCF-ZIAGYGMSSA-N 316.361 -0.671 30 20 DBED COc1cncc(C(=O)N2CC[C@H]3OCCN(CC#N)[C@@H]3C2)n1 1074351290 KZQSPVWPPXUBFI-CHWSQXEVSA-N 317.349 -0.076 30 20 DBED N#CCN1C[C@@H]2CCN(C(=O)[C@@H]3CCc4nnnn4CC3)[C@@H]2C1 1076267928 SMBNVOQNHJMEBL-FRRDWIJNSA-N 315.381 -0.318 30 20 DBED CC(=O)N1CC(C(=O)N[C@@H](C)CCNC(=O)C#CC2CC2)C1 1076423329 FKEOWPSFTWDTLN-NSHDSACASA-N 305.378 -0.111 30 20 DBED COCC(=O)NCCC(=O)N[C@@H](C)CCNC(=O)C#CC1CC1 1076432692 ZWYCTUZHVQKMEH-LBPRGKRZSA-N 323.393 -0.437 30 20 DBED C#CCOCCC(=O)N[C@@H](C)CCNC(=O)[C@@H]1CCN(C)C1 1076587711 BDZIDFSESOSSDJ-UONOGXRCSA-N 309.410 -0.011 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)c2cccn3nnnc23)C1 1077057838 XMFHQMICJDISTR-VXGBXAGGSA-N 302.338 -0.525 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)Cn2cc(C3CC3)nn2)C1 1077130054 NYVHILZRXUQYRK-ZIAGYGMSSA-N 303.366 -0.660 30 20 DBED C[C@@H](CCNC(=O)CCN1C(=O)CCC1=O)NC(=O)[C@@H](C)C#N 1077340058 MTQJXNOANHYKJV-QWRGUYRKSA-N 322.365 -0.304 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2ncoc2[C@H]2CCCO2)C1 1077507981 GBUOUQJDUXVYIA-IJLUTSLNSA-N 305.334 -0.066 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)C1 1077709355 UQPVTYBIYVLQNQ-GBJTYRQASA-N 302.378 -0.292 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)c2ccnc3nc(C)nn23)C1 1077994768 YZDMQAJCFZUNCS-DGCLKSJQSA-N 316.365 -0.216 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(Cc3cnon3)C[C@H]2O)nc1 1078029983 BHLJPDVUPVBKEF-ZIAGYGMSSA-N 313.317 -0.579 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN([C@@H](C)COC)C[C@H]2O)nc1 1078031463 VGXPTVVAOXEZEW-NILFDRSVSA-N 303.362 -0.127 30 20 DBED C#CCCCCC(=O)N[C@@H](C)CCNC(=O)[C@H]1CNC(=O)N1 1078091612 ZLCSSOAGAQHBIU-NWDGAFQWSA-N 308.382 -0.128 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)CCn2ccnn2)C1 1081437510 YFLZKKKHKVSBTD-CHWSQXEVSA-N 321.381 -0.430 30 20 DBED C=C(C)CCC(=O)NC[C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1O 1081532766 BDKPAIWOIHNPNQ-CHWSQXEVSA-N 321.381 -0.430 30 20 DBED C=CCOCC(=O)N1CCCC[C@H]1CNC(=O)[C@@H]1CNC(=O)N1 1081958132 WZDHGXOLOSJQHI-RYUDHWBXSA-N 324.381 -0.632 30 20 DBED C#CCN1C[C@@H](NC(=O)c2ccn3nnnc3c2)[C@H](OC)C1 1082017631 RUTPROXWEKDOPS-VXGBXAGGSA-N 300.322 -0.814 30 20 DBED C=C(C)CN1C[C@@H](NC(=O)C2CC(=O)NC(=O)C2)[C@H](OC)C1 1082235336 XUPCXGDGSCMXBD-VXGBXAGGSA-N 309.366 -0.569 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)C(=O)N1CCC[C@H]1CC 1083243207 PUOJYWAECPYLDF-QLFBSQMISA-N 319.405 -0.068 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cc(C(N)=O)ccn1 1083295343 SHGWDCZGTSCXEP-QWHCGFSZSA-N 315.333 -0.771 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)Cn2cccc(C)c2=O)C1 1083458573 VGWARQWWVBJQCZ-KGLIPLIRSA-N 305.378 -0.106 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)Cc2n[nH]c3c2CCCC3)C1 1083463006 LSDDQNPAGOECKK-KGLIPLIRSA-N 303.366 -0.484 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCCn3nccc32)C1 1083581353 SODAFRLJEYVRQC-GUTXKFCHSA-N 302.378 -0.055 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)c2ccc3nc(O)[nH]c3n2)C1 1083730559 GUVSQIBTUGENNU-MNOVXSKESA-N 303.322 -0.376 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2cc(C)nc3cc(C)nn23)C1 1084068444 ZKDQXJNMEAIZGZ-OCCSQVGLSA-N 313.361 -0.246 30 20 DBED N#CCN1CC[C@@H]2CN(C(=O)C[C@@H]3CCS(=O)(=O)C3)[C@@H]2C1 1084496448 HOSKFCGOEJCYPH-YNEHKIRRSA-N 311.407 -0.133 30 20 DBED C#CCCN1CC[C@H]1CN(C)C(=O)[C@@H]1CN(C(C)=O)CCO1 1085952611 HMRYTQGWTDBUQC-GJZGRUSLSA-N 307.394 -0.210 30 20 DBED N#CCN[C@H]1C[C@@H](CNC(=O)[C@@H]2CCc3nnc(O)n3C2)C1 1086125294 URABJHZLXJANFL-MXWKQRLJSA-N 304.354 -0.446 30 20 DBED C#CCN1CC[C@H](NC(=O)c2ccc(C(N)=O)cc2)[C@@H](O)C1 1090802690 RHRULVCFZQIGOU-KBPBESRZSA-N 301.346 -0.416 30 20 DBED C[C@@H](CC(N)=O)C(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1C 1090804284 OFHZKLQWGQHVQK-HOSYDEDBSA-N 316.365 -0.199 30 20 DBED N#CCNC1CC(CNC(=O)c2cc(=O)n3[nH]cnc3n2)C1 1091324567 IEQZOMLITCELGC-UHFFFAOYSA-N 301.310 -0.961 30 20 DBED CC(=O)N(C)CC(=O)NC1[C@@H]2CN(c3nccnc3C#N)C[C@@H]12 1093217196 HPKOTMRWWKNBKG-GHMZBOCLSA-N 314.349 -0.623 30 20 DBED C[C@H](CC(N)=O)C(=O)NC1[C@H]2CN(c3cnc(C#N)cn3)C[C@H]12 1093330864 LCGJFCLFRKMWFN-MIMYLULJSA-N 314.349 -0.589 30 20 DBED C#CCCN1CC(OC2CCN(C(=O)c3nnn(C)n3)CC2)C1 1093561691 UYFBCNSOJMZJMS-UHFFFAOYSA-N 318.381 -0.461 30 20 DBED Cn1cc(C(=O)NCCNc2ncc(C#N)cc2F)n(C)c1=O 1093683745 GAMZIEQOZYMGGV-UHFFFAOYSA-N 318.312 -0.029 30 20 DBED C=CCCN1CCN(C(=O)COC)[C@@H]2CS(=O)(=O)C[C@@H]21 1094596516 XLFQKXHGYOSQDS-NWDGAFQWSA-N 302.396 -0.481 30 20 DBED CC(=O)N[C@@H](C)C(=O)N1CC[C@@H](Nc2cnc(C#N)cn2)C1 1095009504 CMHSLSAQLQGRDT-GXSJLCMTSA-N 302.338 -0.114 30 20 DBED N#Cc1cncc(N[C@@H](CNC(=O)[C@H]2CCC(=O)N2)C2CC2)n1 1096601379 YVFJBSZXFYJBGH-NEPJUHHUSA-N 314.349 -0.066 30 20 DBED CC(=O)N1CC(C(=O)NC[C@H](C)N=c2cc[nH]cc2C#N)C1 1097779695 OBWJKUBUIPPETF-JTQLQIEISA-N 301.350 -0.230 30 20 DBED C#CCOCCC(=O)NC[C@H](C)N=c1cc[nH]c(C(=O)OC)n1 1098058878 FULVQWJGEBCSGP-NSHDSACASA-N 320.349 -0.358 30 20 DBED CCc1nc(C#N)cc(N[C@H](C)CNC(=O)c2nnn(C)n2)n1 1098199499 AVVGIZBAKFFWHK-MRVPVSSYSA-N 315.341 -0.335 30 20 DBED C#CCCN(CCO)C1CCN(C(=O)[C@@H]2CCC(=O)N2C)CC1 1098454795 TZZWZISEHKMENG-HNNXBMFYSA-N 321.421 -0.084 30 20 DBED C=CCNCc1cn([C@H]2CCN(C(=O)[C@@H]3COCCO3)C2)nn1 1098622790 QAPGNLDTCXLSDK-KBPBESRZSA-N 321.381 -0.258 30 20 DBED N#CCNCc1cn([C@H]2CCN(C(=O)Cc3cc[nH]n3)C2)nn1 1098641046 PQZYZGHEYKSBQM-ZDUSSCGKSA-N 314.353 -0.370 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)c2ccc[nH]2)[C@H](O)C1 1099655036 VYZGDWIBIJNSPC-WCQYABFASA-N 306.366 -0.518 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(Cc2cnsn2)C[C@H]1O 1099738715 RQPBQBMUWMFAPT-NWDGAFQWSA-N 312.395 -0.208 30 20 DBED N#CCNC(=O)CN1CC[C@H](NC(=O)/C=C/C2CC2)[C@@H](O)C1 1099768582 GFSXRVCOUDWGDF-GFSGRHGLSA-N 306.366 -0.856 30 20 DBED C#CCCCC(=O)N[C@@H]1CCN(Cc2nnn(C)n2)C[C@H]1O 1099806789 GQEAYGOCCFXQKI-VXGBXAGGSA-N 306.370 -0.935 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CN(C)C(=O)C2CC2)[C@@H](O)C1 1099864931 VUZLLVDJYKJNQO-KGLIPLIRSA-N 307.394 -0.571 30 20 DBED CC#CCCCC(=O)N[C@H]1CCN(Cc2nnnn2C)C[C@H]1O 1099960169 PCQVOCOLFHKTOS-QWHCGFSZSA-N 320.397 -0.545 30 20 DBED CCN1C[C@@H](C(=O)NCCN(C)c2nccnc2C#N)CC1=O 1100384045 XDDAFZUAROCKFB-NSHDSACASA-N 316.365 -0.231 30 20 DBED CC[C@]1(C(=O)NCCN(C)c2cnc(C#N)cn2)CCNC1=O 1100402189 WHBPZGFDXCKUHY-HNNXBMFYSA-N 316.365 -0.183 30 20 DBED CCN(CCNC(=O)C1(C(=O)NC)CC1)c1cncc(C#N)n1 1100566292 JJBSUHCLVRHVBP-UHFFFAOYSA-N 316.365 -0.183 30 20 DBED C=CCOCCNC1CC(CNC(=O)CN2CCNC(=O)C2)C1 1100567109 XPWNCBVCVBSJGD-UHFFFAOYSA-N 324.425 -0.895 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)c1cc2ncccn2n1 1101723406 BCNMZPYKBDDIFK-UHFFFAOYSA-N 322.332 -0.003 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)CCCn1cncn1 1101766088 PWIRICFGFYIQPZ-UHFFFAOYSA-N 314.353 -0.288 30 20 DBED CC[C@@H](CNC(=O)c1nccnc1N)N=c1cc[nH]c(C#N)n1 1103025769 OJGLIXIDPSNSNI-VIFPVBQESA-N 312.337 -0.237 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H](CC)Nc1nccn2nnnc12 1103197769 GDNHOQDGLQNJOS-MNOVXSKESA-N 317.353 -0.136 30 20 DBED C#CCNCC[C@@H]1CN(C(=O)CN2CC(=O)N(C)C2=O)C[C@H]1C 1104901675 LZYZBJSYXZZOTG-CHWSQXEVSA-N 320.393 -0.412 30 20 DBED CN(CCN(C)c1ccc(C#N)nn1)C(=O)[C@H]1C[C@H]1C(N)=O 1105559081 IQULZDCGLBOYRF-MNOVXSKESA-N 302.338 -0.636 30 20 DBED CCNC(=O)CCC(=O)NC[C@@H](O)CNc1cncc(C#N)n1 1105747278 ZJJYUYATJXRNGY-NSHDSACASA-N 320.353 -0.846 30 20 DBED COCCOCC(=O)NC[C@@H](O)CN=c1cc(C)[nH]cc1C#N 1105775015 YUYAEZJHKNELNT-ZDUSSCGKSA-N 322.365 -0.764 30 20 DBED CCNC(=O)CC(=O)NC[C@@H](O)CNc1nc(C)cc(C#N)n1 1105795146 UUMVLAQXMPRWDR-LLVKDONJSA-N 320.353 -0.928 30 20 DBED CC(C)C#CC(=O)NC[C@@H](O)CNc1ncnc2c1ncn2C 1105812589 UGJINNKNOPQBPE-LLVKDONJSA-N 316.365 -0.088 30 20 DBED Cn1ccc(CC(=O)NC[C@H](O)CNc2nccnc2C#N)n1 1105818059 DVKINIFLZXCSNT-NSHDSACASA-N 315.337 -0.787 30 20 DBED CCN(CCNc1ccc(C#N)nn1)C(=O)Cn1nccn1 1106859252 RCLZIAGCNNBDOI-UHFFFAOYSA-N 300.326 -0.100 30 20 DBED N#CCN1CC(n2cc(CNC(=O)Cc3cscn3)nn2)C1 1107217657 UPXPGZGHIVNWQB-UHFFFAOYSA-N 317.378 -0.026 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)CN(C)C(=O)C2CC2)C1 1107979702 LRVCMDUXQSVSFG-MRXNPFEDSA-N 307.394 -0.305 30 20 DBED C=C(C)CN1CCO[C@@](C)(CNC(=O)[C@H]2CN(C)C(=O)N2)C1 1108120359 YTDCXVBLBAOIJP-DOMZBBRYSA-N 310.398 -0.207 30 20 DBED C=CCNC(=O)[C@H](C)N1CC(N2C[C@@H](NC(C)=O)CC2=O)C1 1108495071 PZXLRMUUALLGEP-JQWIXIFHSA-N 308.382 -0.902 30 20 DBED COC[C@@H](OC)C(=O)N[C@@H](C)CN(C)c1ccc(C#N)nn1 1109219663 MZRUDLBVRHQXKL-CMPLNLGQSA-N 307.354 -0.049 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1ncccn1 1109870538 ZMQLCKDBDFQPJN-AGIUHOORSA-N 313.361 -0.439 30 20 DBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H]1COCCO1 1110306439 NWARPTVDUNLOIR-YIYPIFLZSA-N 323.393 -0.575 30 20 DBED CC1(NC(=O)CNC(N)=O)CCN(c2ccc(C#N)nn2)CC1 1110570904 GVUXSKRTFNMMFO-UHFFFAOYSA-N 317.353 -0.508 30 20 DBED C[C@]1(CNC(=O)C(N)=O)CCCN(c2nccnc2C#N)C1 1110954561 XJEHXUXNEMSTGI-CQSZACIVSA-N 302.338 -0.444 30 20 DBED N#Cc1cnc(NCCN(CCO)C(=O)c2nc[nH]n2)cn1 1111496405 CQBOILNGRGCBCY-UHFFFAOYSA-N 302.298 -0.987 30 20 DBED Cc1cc(N2C[C@@H](O)[C@H](CNC(=O)CSCC#N)C2)ncn1 1112725219 LAWUKFKAVXPFTO-VXGBXAGGSA-N 321.406 -0.045 30 20 DBED C#CCOCCC(=O)N1CCN([C@H]2CCN(CC=C)C2=O)CC1 1112843868 KPACUJGTYTYMPI-HNNXBMFYSA-N 319.405 -0.043 30 20 DBED C=CCOCCN1CCN(C(=O)[C@@H](C)N2C(=O)CCC2=O)CC1 1112921031 PDJMLJABXHJDDV-CYBMUJFWSA-N 323.393 -0.129 30 20 DBED C[C@H](NC(=O)c1cncnc1O)[C@@H](C)N=c1cc[nH]c(C#N)n1 1113198377 CVOMYHRIGPTELA-BDAKNGLRSA-N 313.321 -0.115 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)c3cn[nH]c3)[C@H]2C1 1113916090 LFUPBKGPXQICRE-XEZLXBQYSA-N 303.366 -0.240 30 20 DBED C[C@](O)(CC(=O)NC1[C@H]2CN(CC(=O)NCC#N)C[C@H]12)C1CC1 1114149227 RGDZPBRSYOYDAK-MKBNYLNASA-N 320.393 -0.776 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@H]3CCCCN3C)[C@H]2C1 1114466719 RVNSZROCLMOBNM-CTASWTNQSA-N 318.421 -0.734 30 20 DBED Cc1nnc(COCC(=O)NC2[C@@H]3CN(CC#N)C[C@@H]23)s1 1114527417 WLCKTYAHRGQPEP-NXEZZACHSA-N 307.379 -0.067 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)c3cn(C)ccc3=O)[C@H]2C1 1114546152 XEVMHKOYTCJZPK-VIKVFOODSA-N 315.373 -0.305 30 20 DBED C=CCOCCN1C[C@H]2C(NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)[C@@H]2C1 1114829509 YANKXUAIZLPFTG-FVCCEPFGSA-N 323.393 -0.732 30 20 DBED CN1CC[C@@H](NC(=O)C(=O)Nc2ccc(OCC#N)cc2)C1=O 1116655241 NCTABWJFJMIBEZ-GFCCVEGCSA-N 316.317 -0.126 30 20 DBED C[C@H]1[C@@H](C)N(C(=O)C(=O)Nc2cnn(CC#N)c2)CC[S@@]1=O 1116895325 BKELKOOKWCNFHD-BNMUBRSASA-N 323.378 -0.287 30 20 DBED C=CCOCCn1nnnc1N1CCC(NC(=O)NC)CC1 1120177963 AMIMVODJKCMVBY-UHFFFAOYSA-N 309.374 -0.227 30 20 DBED C#CCNC1CC2(C1)CC(NC(=O)CCn1ncn(C)c1=O)C2 1121468981 JSDROTMQSWUNQI-UHFFFAOYSA-N 317.393 -0.378 30 20 DBED Cc1ccnc(C(=O)NC[C@H](CO)N=c2cc[nH]c(C#N)n2)n1 1121506647 WUCKKEWWCMPUCA-SNVBAGLBSA-N 313.321 -0.929 30 20 DBED Cc1cc(=N[C@@H](CO)CNC(=O)c2[nH]nnc2C)c(C#N)c[nH]1 1122385129 JPHFYLVFBZJBTL-LLVKDONJSA-N 315.337 -0.687 30 20 DBED Cc1cc(C#N)nc(NC[C@H](O)CN(C)C(=O)[C@H]2CCOC2)n1 1124141124 QGHDGLIMMWUONE-AAEUAGOBSA-N 319.365 -0.076 30 20 DBED Cc1cc(N(C)C[C@H](O)CN(C)C(=O)C(N)=O)c(C#N)cn1 1125253758 GVMZMRJFKAADLD-NSHDSACASA-N 305.338 -0.998 30 20 DBED C=CCN1CCn2ncc(CNC(=O)CCNC(N)=O)c2C1 1128571355 QNVPTLLXAOTQGT-UHFFFAOYSA-N 306.370 -0.441 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H](C)OCCOC)C1 1129300915 JEJFGWQSTHXSOU-MJBXVCDLSA-N 323.397 -0.143 30 20 DBED C#CCCCC(=O)N1C[C@H](n2ccnn2)[C@H](N[C@H](C)C(N)=O)C1 1129834261 SGVGROPHXIJHKT-UPJWGTAASA-N 318.381 -0.703 30 20 DBED CC#CCN[C@@H]1CN(C(=O)c2csnn2)C[C@@H]1n1ccnn1 1129949080 NYEKGBNMGKJPER-PWSUYJOCSA-N 317.378 -0.192 30 20 DBED Cc1nonc1C(=O)N[C@@H]1CC[C@H](C)N(CC(=O)NCC#N)C1 1132536808 IDEADVQXEJUBQU-GXSJLCMTSA-N 320.353 -0.400 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)Cc1ccn(C)n1 1134335841 CVOBPYGVXXXEJA-QWHCGFSZSA-N 319.409 -0.415 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@H]1CCCO[C@H]1C(=C)C 1135058709 ZRFNDOVDWFLJDQ-ZFWWWQNUSA-N 307.394 -0.187 30 20 DBED C[C@@H]1CCn2ncc(C(=O)NCCNCC(=O)NCC#N)c2C1 1149345290 UURIJSGGISAQRR-LLVKDONJSA-N 318.381 -0.575 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(CC(=O)N(C)C)CCCO1 1149383419 FZNDDCAKURNQOM-CYBMUJFWSA-N 313.398 -0.516 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)C(C)(C)NC(=O)NC 1152288063 QAGXPMQHYHBVOS-JTQLQIEISA-N 313.402 -0.910 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)[C@H](C)CC(N)=O 1154592544 PQPIJYFEVGQXAG-VXGBXAGGSA-N 310.398 -0.926 30 20 DBED C#CCN1CC=C(CCNC(=O)Cn2ccc(O)nc2=O)CC1 1160628754 VQHNEVILSSBHEA-UHFFFAOYSA-N 316.361 -0.280 30 20 DBED C#CCCN1CC=C(CCNC(=O)CN2CCNC(=O)C2)CC1 1160860686 MHPGNQRSYYKZON-UHFFFAOYSA-N 318.421 -0.420 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)[C@@H]1CCC(=O)NC1 1161638131 MVJOZTXAULGSSU-NWDGAFQWSA-N 310.398 -0.701 30 20 DBED N#CCNC(=O)CNCC1(CCNC(=O)c2cnsn2)CC1 1163609143 IMESDRZXXZZREY-UHFFFAOYSA-N 322.394 -0.332 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)[C@@]1(C)CCNC1=O 1166546090 WEQDMNFMMFXVMA-IAQYHMDHSA-N 310.398 -0.701 30 20 DBED COCC#CCNCCCNC(=O)C1CCS(=O)(=O)CC1 1167534890 JGBNKBBQRCKGML-UHFFFAOYSA-N 316.423 -0.443 30 20 DBED C=CCn1cc(C(=O)NCCCNCc2ncnn2C)nn1 1167839438 ZXKAFFQFHSTZMI-UHFFFAOYSA-N 304.358 -0.498 30 20 DBED C[C@H](CCCCNCC(=O)NCC#N)NC(=O)[C@@H]1CCNC1=O 1174658402 CZALIRTVEJZJBH-VXGBXAGGSA-N 323.397 -0.973 30 20 DBED C=C(C)CN(CC)C(=O)CNCCCNC(=O)Cn1cncn1 1175464617 IFHIAFZPPNEXPP-UHFFFAOYSA-N 322.413 -0.201 30 20 DBED C#CCCNCCCC[C@@H](C)NC(=O)CN1C(=O)CNC1=O 1176487680 UVJGFSLCLZGXSV-GFCCVEGCSA-N 308.382 -0.174 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)COCCOCC)C[C@H]21 1177156421 IJOSYJUMDPYFTJ-HUUCEWRRSA-N 310.394 -0.026 30 20 DBED C#CCCN[C@H]1CCN(C(=O)c2cn(C)c(=O)nc2O)[C@H]1C 1180120712 HHJFLUIVMIARDG-JQWIXIFHSA-N 304.350 -0.298 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)CC[C@@H]2CCOC2)C1 1181936149 PYILBQUJZZSEQY-ZIAGYGMSSA-N 307.394 -0.257 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)CCn2ccnn2)C1 1182188591 WTYVZNGVDZDZEF-CHWSQXEVSA-N 320.397 -0.451 30 20 DBED CC#CCN[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(CCOC)C2)C1 1182965275 VJVCRTKQNRLVJF-UONOGXRCSA-N 307.394 -0.305 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)[C@@H]2CC(=O)N(C)C2)C1 1190445729 ZWRZWBZZRPQEED-OLZOCXBDSA-N 322.409 -0.700 30 20 DBED C=CCN(CC=C)C(=O)CN1C[C@@H](O)[C@H](NC(=O)C(F)F)C1 1190579953 CHBCUICFTJODFD-GHMZBOCLSA-N 317.336 -0.387 30 20 DBED CN(CC(=O)NCC#N)[C@@H]1CCN(C(=O)c2n[nH]cc2F)C1 1192205826 IYYFRMLIPKOHHH-SECBINFHSA-N 308.317 -0.665 30 20 DBED CN(CC(=O)NCC#N)[C@@H]1CCN(C(=O)Cc2ccc[nH]2)C1 1194165102 XFBXOCYNKANPHO-CYBMUJFWSA-N 303.366 -0.270 30 20 DBED CCO[C@@H]1C[C@@H]1C(=O)N1CCCN(CC(=O)NCC#N)CC1 1195017018 OCEJMKVYOKDHJE-QWHCGFSZSA-N 308.382 -0.415 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)CC2(O)CCC2)CC1 1195736081 CSWZKWNOQJVTNT-UHFFFAOYSA-N 307.394 -0.425 30 20 DBED C#CCO[C@H](C)C(=O)N1CCCN(Cc2nncn2C)CC1 1195791627 HLPNYCRZFODPQA-CYBMUJFWSA-N 305.382 -0.112 30 20 DBED C#CCO[C@H](C)C(=O)N1CCCN([C@H]2CCN(C)C2=O)CC1 1195806023 JSYMEXBAOCDFAV-KGLIPLIRSA-N 307.394 -0.210 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)C(C)(C)c2cnc[nH]2)C1 1197792792 PYUGEFIYHISJAM-CHWSQXEVSA-N 320.393 -0.502 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)CS(=O)(=O)N(C)C)C1 1198269220 USJZTSVHXBUTSD-VXGBXAGGSA-N 319.427 -0.995 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)CCCc2nc(C)no2)C1 1198638601 LIVPGRRLGWEABH-CHWSQXEVSA-N 306.366 -0.115 30 20 DBED Cc1ncc(C(=O)N2CCC(NCC(=O)NCC#N)CC2)[nH]1 1199758147 AAKUXHCXFNUPDM-UHFFFAOYSA-N 304.354 -0.448 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)C2CN(C(C)=O)C2)CCCO1 1200351290 IDSRIKAHFKCGCY-OAHLLOKOSA-N 307.394 -0.305 30 20 DBED C#CCNC[C@H]1CN(C(=O)c2ccc3nnnn3c2)CCCO1 1200955759 SOFSOORYROLHHO-ZDUSSCGKSA-N 314.349 -0.422 30 20 DBED CC#CCN1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)C(N)=O)C1 1205174894 BIPTWPNVAXNGAR-HUUCEWRRSA-N 315.373 -0.431 30 20 DBED C#CCCNCC1CCN(C(=O)CN(C)C(=O)COC)CC1 1205418604 SVVRKSMXBTZLNP-UHFFFAOYSA-N 309.410 -0.057 30 20 DBED CCCNC(=O)NC(=O)CN1C[C@@H](NC(=O)[C@@H](C)C#N)[C@H](C)C1 1206641117 OXVLNLMJXWDZBL-QJPTWQEYSA-N 323.397 -0.182 30 20 DBED COCC#CCN[C@H]1CCCN(C(=O)CCn2cncn2)C1 1207329321 OPTMASKWRMNKGC-AWEZNQCLSA-N 305.382 -0.101 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)C[C@@H]2CCNC2=O)[C@H](C)C1 1207537514 CTHCNVNUUQHBMP-FRRDWIJNSA-N 322.409 -0.749 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)c2cccc(O)n2)C1 1207742660 WMRXQTHAGKAUNZ-GFCCVEGCSA-N 316.361 -0.269 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2ccnnc2)[C@H](C)C1 1208877470 JPOZSESKDOEXKJ-DGCLKSJQSA-N 301.350 -0.724 30 20 DBED CN(C)CCCCC(=O)N1CCC[C@@H](NCC(=O)NCC#N)C1 1210750673 HNEAEDNFFDBDIJ-CQSZACIVSA-N 323.441 -0.061 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1C 1214721001 HCFZXKCDVWEGRY-VXGBXAGGSA-N 306.370 -0.983 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)C=C2CCC2)C1 1219445524 KLNNNUJWXGPHQO-BNOWGMLFSA-N 307.394 -0.051 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(Cc2ocnc2C)C[C@@H]1O 1219535881 GZUAQIOEJNTGRE-XUJVJEKNSA-N 309.366 -0.029 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2nocc2C)C[C@@H]1O 1219605621 XUUBOOOWUJPTME-YUTCNCBUSA-N 307.350 -0.317 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@]2(C)C=CCC2)C1 1220145239 XLHAPFSPGZSNCU-WWGRRREGSA-N 307.394 -0.194 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)[C@@H](CCC)S(N)(=O)=O)[C@@H]2C1 1221712578 HJADOLLSRZANNR-JHJVBQTASA-N 313.423 -0.391 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC(CNC(=O)CC(=O)NC)CC1 1222945387 BEGXIYZPDKKRDF-GFCCVEGCSA-N 322.409 -0.911 30 20 DBED C[C@H](C#N)C(=O)NC1CCN(CC(=O)NC(=O)NC2CC2)CC1 1226626307 XZIPANKWFHIVSO-SNVBAGLBSA-N 321.381 -0.285 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)Cn1ccnc1 1230348229 XOKCETOENMWLLH-ZIAGYGMSSA-N 317.393 -0.351 30 20 DBED C=CCOCCN1CC[C@@H]1CN(C)C(=O)C1CS(=O)(=O)C1 1234500522 UWTRFYXIJSJMQU-CYBMUJFWSA-N 316.423 -0.234 30 20 DBED CN(C[C@@H](O)CNC(=O)C#CC1CC1)C(=O)C[C@H]1CCOC1 1281268130 BPJLXBOKSKHPRK-KGLIPLIRSA-N 308.378 -0.238 30 20 DBED C=CC[C@@H](NC(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)OCC 1320125704 VNZCERASHUCLMQ-SNVBAGLBSA-N 309.322 -0.678 30 20 DBED CCOCCOCCN(C)C(=O)C(=O)Nc1cnn(CC#N)c1 1320763535 WLYFNWOOTCLWQX-UHFFFAOYSA-N 323.353 -0.143 30 20 DBED C#CCNC(=O)C1CCN(CCN2CCCS2(=O)=O)CC1 1321445133 BYUSWHOJIJHGJN-UHFFFAOYSA-N 313.423 -0.517 30 20 DBED Cn1cc(CCCNC(=O)C(=O)N2CCO[C@@H](C#N)C2)cn1 1324271589 XKIDRIUHXBLQSP-LBPRGKRZSA-N 305.338 -0.780 30 20 DBED CC[C@H](NC(=O)C(=O)N1CC[C@](O)(CC#N)C1)[C@@H]1CCCO1 1329351060 MYPVNRRVEOWRAY-SLEUVZQESA-N 309.366 -0.063 30 20 DBED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N[C@@H]2CCNC2)n1 1330002236 BVYWXMNVDGUUQD-SNVBAGLBSA-N 304.354 -0.074 30 20 DBED CCn1ncn(NC(=O)CCN/C(O)=C2/N=CC=CC2=O)c1=O 1330504555 WUKDAUTYIMRKBU-QXMHVHEDSA-N 320.309 -0.949 30 20 DBED CC#CCNCc1cn(C[C@@H](O)COC2CCOCC2)nn1 1331884290 MODYIMMDFHRFCO-CQSZACIVSA-N 308.382 -0.053 30 20 DBED C=CCCn1cc(C(=O)NCC2(C(N)=O)CCOCC2)nn1 1331958231 JHLVCQDQWUIMQI-UHFFFAOYSA-N 307.354 -0.134 30 20 DBED CC(C)(O)[C@@H]1CCCN(C(=O)C(=O)N2CCO[C@H](C#N)C2)C1 1335887791 PBVODTNSQFTYGK-VXGBXAGGSA-N 309.366 -0.253 30 20 DBED CN(C)c1ncc(CNC(=O)C(=O)N2CCC[C@@H](C#N)C2)n1C 1354452283 DBOZZILXFCLRAK-NSHDSACASA-N 318.381 -0.136 30 20 DBED Cn1ccc(CNC(=O)CCn2cc(C#N)c(O)nc2=O)c1 1362066576 FOCVEDQFLPZAKT-UHFFFAOYSA-N 301.306 -0.134 30 20 DBED N#CCCN(CCN1CCOCC1)C(=O)CCn1cnnn1 1362093367 UEOVCNNCKZIXHD-UHFFFAOYSA-N 307.358 -0.862 30 20 DBED CCO[C@@H]1COCC[C@H]1NC(=O)Cn1cc(C#N)c(O)nc1=O 1362331813 XEXIBWSNSUAUPV-GHMZBOCLSA-N 322.321 -0.869 30 20 DBED N#Cc1cn(CCC(=O)N2CC[C@@](O)(C3CC3)C2)c(=O)nc1O 1362454871 GFWGDTNDVQJPFJ-HNNXBMFYSA-N 318.333 -0.416 30 20 DBED Cc1nnc(CNC(=O)Cn2cc(C#N)c(O)nc2=O)s1 1362884822 CRVHFZSKSMXJLS-UHFFFAOYSA-N 306.307 -0.703 30 20 DBED CCNC(=O)NC(=O)Cn1c(=O)c(C#N)c(C)n(C2CC2)c1=O 1363190266 IPJYDPDLPXCAEK-UHFFFAOYSA-N 319.321 -0.629 30 20 DBED CCOC[C@H](C)NC(=O)NCCn1cc(C#N)c(O)nc1=O 1365138722 AJECNNUBWWOPRL-VIFPVBQESA-N 309.326 -0.455 30 20 DBED CCCC[C@@H](CNC(=O)[C@H](C)C#N)NC(=O)CS(C)(=O)=O 1370057103 JNDZBTFFBBNNCG-MNOVXSKESA-N 317.411 -0.018 30 20 DBED CC[C@@H](CNS(C)(=O)=O)NC(=O)N1CCO[C@@H](C#N)C1 1370103490 IQFSNOUKCOZKLU-UWVGGRQHSA-N 304.372 -0.752 30 20 DBED COCC(=O)NCCC(=O)N1CC[C@H](N(C)C(=O)[C@H](C)C#N)C1 1385260540 MAFTUTIXYVKSDZ-NEPJUHHUSA-N 324.381 -0.642 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1cn2ccccc2n1 1392163121 QIBVCHKCZOCBSR-WDEREUQCSA-N 315.333 -0.299 30 20 DBED CCCN(C(=O)CNC(=O)NC)[C@H]1CCN(C(=O)[C@H](C)C#N)C1 1398430052 POGQOMYRCOGOLH-NEPJUHHUSA-N 323.397 -0.085 30 20 DBED CSc1nc(O)c(C(=O)NCC(=O)NCCO)cc1C#N 1411890329 UUNDHASIDRUTPC-UHFFFAOYSA-N 310.335 -0.781 30 20 DBED C[C@H](O)CNCC1(O)CCN(C(=O)c2cc(C#N)c[nH]2)CC1 1422100270 SAAOIXHMQQFPHW-NSHDSACASA-N 306.366 -0.176 30 20 DBED C[C@@H](CNC(=O)c1c[nH]c(C#N)c1)NC(=O)CCc1nc[nH]n1 1428580900 KVOXPBZFKHKLJM-VIFPVBQESA-N 315.337 -0.128 30 20 DBED CC(C)S(=O)(=O)CC(=O)NC1CN(C(=O)[C@@H](C)C#N)C1 1430197343 NNIPFRIDZRMIMN-VIFPVBQESA-N 301.368 -0.704 30 20 DBED C[C@H](CCNC(=O)c1cc(C#N)c[nH]1)NCc1nnn(C)n1 1437369492 UIOGKBUOSVATFS-SECBINFHSA-N 302.342 -0.292 30 20 DBED CC(C)c1nnnn1CC(=O)N(C)C[C@@H](C)NC(=O)[C@@H](C)C#N 1443827006 AWBPLWUFWWIGQF-WDEREUQCSA-N 321.385 -0.081 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)c2cccn3nnnc23)CC1 1459100433 UHKXYEOFGJVLCT-VIFPVBQESA-N 313.321 -0.337 30 20 DBED C[C@H](C#N)C(=O)NC[C@]1(C)CCN(C(=O)Cc2nc[nH]n2)C1 1459545000 LSYRMVAVXJIJTQ-YGRLFVJLSA-N 304.354 -0.138 30 20 DBED CCN(CCC#N)C(=O)CN[C@H](C)CNC(=O)c1cnn(C)n1 1491608742 SXHNSCSPXKWPMU-LLVKDONJSA-N 321.385 -0.715 30 20 DBED Cc1nn(C)c(C)c1OCC(=O)N1CC(NC(=O)[C@@H](C)C#N)C1 1498384129 LSIDLDGZLQJXIT-VIFPVBQESA-N 319.365 -0.098 30 20 DBED C#CCN(CC)c1nnnn1CCCN1C(=O)NC(C)(C)C1=O 1518620157 SRWFBENTXUUFQP-UHFFFAOYSA-N 319.369 -0.147 30 20 DBED C[C@H](C#N)C(=O)NCC1(Nc2nccnc2-c2nn[nH]n2)CC1 1573576038 CVNVOQFGOYANJT-MRVPVSSYSA-N 313.325 -0.123 30 20 DBED CC#CC[C@H](N)C(=O)Nc1ccccc1C(=O)NCCC(N)=O 1574969774 MGYSGLNFRFPZHJ-LBPRGKRZSA-N 316.361 -0.029 30 20 DBED C[C@H](C(=O)N(CCC#N)CCCN(C)C)N1CCNCC1=O 1575050045 XUNPZNTUZMSWHW-CYBMUJFWSA-N 309.414 -0.499 30 20 DBED N#Cc1cccc(CNC(=O)CN2CCC[C@](N)(CO)C2)c1 1580076158 PDJCSYJVIIOMKX-MRXNPFEDSA-N 302.378 -0.040 30 20 DBED NC[C@H]1CN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)CCCO1 1580268962 PZECWWKQHQQRMQ-ICFTUWFRSA-N 322.365 -0.521 30 20 DBED C[C@H](C#N)C(=O)N(C)CCNc1nccnc1-c1nn[nH]n1 1588926694 QSAOBFNUXUXPKZ-MRVPVSSYSA-N 301.314 -0.313 30 20 DBED CC#CCCNC(=O)N1CCN([C@@]2(C(=O)O)CCOC2)CC1 1588927146 OQLYCFOLLPMGGU-HNNXBMFYSA-N 309.366 -0.029 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC(CNC(=O)[C@@H]3C[C@@H]3C(=O)O)C2)c1 1601084075 GTQSJXQRPUKDHV-MNOVXSKESA-N 316.317 -0.205 30 20 DBED C=C(CCC(=O)O)C(=O)N1CCC[C@@H]1C(=O)NCC(=O)OC 1602775714 IDYWAAFJCBLUSW-SNVBAGLBSA-N 312.322 -0.312 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C)c1nccnc1-c1nn[nH]n1 1602983001 DIPZKMFCTZMQJR-QMMMGPOBSA-N 301.314 -0.631 30 20 DBED C[C@@H](C(=O)NC1(CC(=O)O)CCOCC1)n1cnc(C#N)n1 1603155731 KOMJCENFQHUPSM-VIFPVBQESA-N 307.310 -0.149 30 20 DBED C[C@@H]1C[C@@H](C(=O)O)CN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)C1 1603354060 FHKIJJYNVLLEKS-HFAKWTLXSA-N 323.349 -0.567 30 20 DBED COC[C@@H]1CN(c2cnc(-c3nn[nH]n3)c(C#N)n2)CCO1 1605073574 HVNRUJDRAPWHKO-QMMMGPOBSA-N 302.298 -0.620 30 20 DBED N#CCn1cc(NC(=O)C(=O)NC[C@@H](CC2CC2)C(=O)O)cn1 1608190048 CHQFCDIQALHGBQ-SNVBAGLBSA-N 319.321 -0.038 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)Cc2ccc(C)nc2)C1 1713936539 RMIFNGCIIJTLSK-HNNXBMFYSA-N 314.389 -0.128 30 20 DBED Cc1ccn(C)c1C(=O)N[C@@H]1CCN(CC(=O)NCC#N)C1 1715003456 QDTMGORFHYOVNO-GFCCVEGCSA-N 303.366 -0.223 30 20 DBED C#CCNC(=O)CN[C@@H](CNC(=O)c1cc(C#N)c[nH]1)C1CC1 1752454002 GZEGJRQSSJCPPA-AWEZNQCLSA-N 313.361 -0.266 30 20 DBED C=CCNC(=O)CN[C@H]1C[C@@H](NC(=O)CCc2ccn(C)n2)C1 1752730507 FLBORYPWYWARFE-OKILXGFUSA-N 319.409 -0.108 30 20 DBED C#Cc1ccc(C(=O)NCCN(C)Cc2nc(=O)n(C)[nH]2)cn1 1753071233 FNIIEHJUXPYYHS-UHFFFAOYSA-N 314.349 -0.654 30 20 DBED C[C@H](NCC(=O)NCC#N)[C@H]1CCCN(C(=O)CCN(C)C)C1 1753813134 GDUGLWGVQAGDGX-KBPBESRZSA-N 323.441 -0.205 30 20 DBED C#CCNC(=O)[C@@H](C)NCC[C@H](C)NC(=O)c1ccc(O)nn1 1753942960 JSGAVLQXWROROQ-WDEREUQCSA-N 319.365 -0.582 30 20 DBED C#CCNC(=O)CNC1(CNC(=O)c2cc(C3CC3)[nH]n2)CC1 1754526754 ZEQHICMRQOJLLH-UHFFFAOYSA-N 315.377 -0.112 30 20 DBED C[C@@]1(NC(=O)c2c[nH]c(C#N)c2)CCN(CC(=O)NCC#N)C1 1754672770 ODJOSNKMXZDJCI-OAHLLOKOSA-N 314.349 -0.280 30 20 DBED CC#CCN1CC[C@@](O)(CNC(=O)c2cc(OC)n(C)n2)C1 1754752880 SDXFTQJESWJYCW-OAHLLOKOSA-N 306.366 -0.381 30 20 DBED C=C[C@@](C)(CC)C(=O)NC[C@]1(O)CCN(Cc2nnnn2C)C1 1754757348 JACAGJUCOFELGC-LSDHHAIUSA-N 322.413 -0.135 30 20 DBED N#CCSCC(=O)NCC1(O)CN(Cc2ncccn2)C1 1754763416 RLEOPAUIGQJSSS-UHFFFAOYSA-N 307.379 -0.604 30 20 DBED C=CCOCC(=O)N1CCO[C@H](CNCc2ncnn2C)C1 1754996077 LFLUTMFFJZJJLE-GFCCVEGCSA-N 309.370 -0.665 30 20 DBED C#CCCN1CC2(CC[C@@H](CNC(=O)CS(C)(=O)=O)O2)C1 1755052806 IJFIDZWCJYAPRI-LBPRGKRZSA-N 314.407 -0.596 30 20 DBED C#CCN1CC(CCO)(NC(=O)CC[C@]2(C)CCC(=O)N2)C1 1755344091 KYCKKNDUVYPJPQ-HNNXBMFYSA-N 307.394 -0.379 30 20 DBED C=CCOCCN[C@H](C)[C@H]1CN(C(=O)c2nnn(C)n2)CCO1 1755446889 XTMAENZIIKTCBP-VXGBXAGGSA-N 324.385 -0.768 30 20 DBED C=CCNC[C@H]1C[C@H](NC(=O)CN(C)S(=O)(=O)CC)C1 1755480148 MDQIXPDTGNSPKH-HAQNSBGRSA-N 303.428 -0.062 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H](C)CN(C)C(=O)c1ccnc(O)c1 1755583251 DNZBJWKTRAAGDL-VXGBXAGGSA-N 318.377 -0.025 30 20 DBED COCC#CCN[C@H]1CN(C(=O)[C@@H]2CN(C)C(=O)N2)CC1(C)C 1755760724 SRTMAWWEEXBJSK-STQMWFEESA-N 322.409 -0.514 30 20 DBED C=C(C)CCC(=O)N[C@H](C)[C@H](C)NC(=O)CS(=O)(=O)NC 1755969990 DBWUCNZBLGTQKN-MNOVXSKESA-N 319.427 -0.099 30 20 DBED CNC(=O)C1(C(=O)N(C)[C@@H](C)CNC(=O)C#CC2CC2)CC1 1756024803 VIBBJDFDIVURGO-NSHDSACASA-N 305.378 -0.111 30 20 DBED C=CCCC(=O)N(C)C1CC(NC(=O)CN2C(=O)CNC2=O)C1 1756735272 DGQLDOBJIUZGFG-UHFFFAOYSA-N 322.365 -0.390 30 20 DBED C=CCO[C@@H](C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnccn2)C1 1756976293 JCDVXYAYAVKAAG-CYZMBNFOSA-N 320.349 -0.631 30 20 DBED C[C@H](O)c1cn(CC(=O)O[C@H](C)C(=O)N(C)CCC#N)nn1 1771643382 UTBXKPLSXOXTMM-VHSXEESVSA-N 309.326 -0.365 30 20 DBED Cn1nc(C(=O)O)cc1C=NNCC(C)(C)S(C)(=O)=O 1776056143 NZFMKUSLLAFARM-UHFFFAOYSA-N 302.356 -0.135 30 20 DBED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3[nH]nnc3C)[C@H]2C1 1787187185 CGIZFXKWIZWGOJ-SRVKXCTJSA-N 317.349 -0.660 30 20 DBED CNCCCC(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1842918253 OOGDGEZXBJUDQA-UHFFFAOYSA-N 307.350 -0.723 30 20 DBED N#Cc1c[nH]c(C(=O)NCCNS(=O)(=O)c2cccnc2)c1 162857649 PZRHSMWPMFYHRK-UHFFFAOYSA-N 319.346 -0.010 30 20 DBED CC#CCCCC(=O)N1CCN(C(=O)Cn2cnnn2)CC1 186149486 VMFIAJUDITZDGV-UHFFFAOYSA-N 304.354 -0.463 30 20 DBED CC/N=C(/NCCN1C(=O)CNC1=O)N1CC[C@@]2(CCOC2)C1 261983383 PKMYJOOZFMXEBQ-OAHLLOKOSA-N 323.397 -0.384 30 20 DBED C=CCOC[C@H](NC(=O)Cn1nc2ccccn2c1=O)C(=O)O 263012552 NFOFUKUNDFQZKR-JTQLQIEISA-N 320.305 -0.732 30 20 DBED C=CCCC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 264012349 VQKKMPOWYMUVMG-UHFFFAOYSA-N 309.366 -0.518 30 20 DBED CCCN(CC#N)CC(=O)c1c(N)n(CCOC)c(O)nc1=O 264215471 NNWFVCNLBJRNEV-UHFFFAOYSA-N 323.353 -0.404 30 20 DBED C=CCN(CCC(=O)NC(=O)NC)[C@@H]1CCS(=O)(=O)C1 264515452 BKXOBWATXXSOFZ-SNVBAGLBSA-N 303.384 -0.493 30 20 DBED COCCN1CC[C@@H](Nc2c(C#N)c(=O)n(C)c(=O)n2C)C1 264607450 ORXOZIOVLHJQCZ-SNVBAGLBSA-N 307.354 -0.912 30 20 DBED COCCN1CN(C(=O)C(=O)Nc2cccc(C#N)c2)CC1=O 282971758 JNLXMPVKRAVUDX-UHFFFAOYSA-N 316.317 -0.229 30 20 DBED N#Cc1ncn(CCNC(=O)c2ccnc(N3CCCC3)n2)n1 286309752 QKJZPHBRAUMBHJ-UHFFFAOYSA-N 312.337 -0.030 30 20 DBED C[C@@H](O)CN1CCN(C(=O)NCCn2cnc(C#N)n2)[C@H](C)C1 287821029 JZZVZAJUJHRGSF-VXGBXAGGSA-N 321.385 -0.754 30 20 DBED C#CCNC(=O)CCN1CCN(C(=O)CN(CC)CC)CC1 293113003 OSXMJNKBPSNOCZ-UHFFFAOYSA-N 308.426 -0.388 30 20 DBED CN(CCN1CCOCC1)/C(O)=N/Cc1nc(N(C)C)no1 328881508 LFKVTHOPFZSCSY-UHFFFAOYSA-N 312.374 -0.186 30 20 DBED C/C(O)=N/[C@@H]1CCCN(C(=O)CN2CCn3c(O)nnc3C2)C1 330028957 PHUCMFJXZFRYRE-LLVKDONJSA-N 322.369 -0.233 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)NCCN1CCN(C)CC1 330409524 YEBDIFUJDFQXCG-CYBMUJFWSA-N 317.459 -0.450 30 20 DBED C/N=C(/O)NC(=O)[C@H](C)N1CCC([C@H](O)C(=O)OC)CC1 331271914 NPUPGQMMTWNAHJ-WPRPVWTQSA-N 301.343 -0.719 30 20 DBED CN(CCC#N)S(=O)(=O)NCCN1CCOC(C)(C)C1 331309017 YFKXVABHDZEXBU-UHFFFAOYSA-N 304.416 -0.223 30 20 DBED CN(C)[C@@H]1CCC[C@@H](NS(=O)(=O)N2CCO[C@H](C#N)C2)C1 336885164 FJARVYRCURYAOE-JHJVBQTASA-N 316.427 -0.082 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCN(CCOC)CC1 336928607 ZAEXWPVQEOWUFU-ZDUSSCGKSA-N 318.443 -0.023 30 20 DBED CCN1CCN(S(=O)(=O)N(CC)C[C@H](C)C#N)CC1=O 336947488 PGAYJCAWSZKDRH-LLVKDONJSA-N 302.400 -0.123 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CCOC[C@@H]1C(=O)OC 337057622 DHDDAZKLLJXAEX-SNVBAGLBSA-N 305.356 -0.659 30 20 DBED N#C[C@H]1CN(S(=O)(=O)NCCSCCCO)CCO1 337089815 IWGWUQWJMKSBSH-JTQLQIEISA-N 309.413 -0.839 30 20 DBED CN(C)C(=O)CNC(=O)C(=O)NCCc1cccc(C#N)c1 340470110 NXQGPVURLRXMDF-UHFFFAOYSA-N 302.334 -0.579 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCc2cc(C)no2)C1=O 355693456 XRJVZPCRMLPEAH-GFCCVEGCSA-N 320.349 -0.155 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CCCOCC2)C1=O 358331057 LBSMPWVVKVPCHD-STQMWFEESA-N 323.393 -0.083 30 20 DBED C=CCOC[C@@H](NC(=O)[C@H](C)CN1CCOCC1)C(=O)OC 360724599 CZCPNHJWSRTMMF-CHWSQXEVSA-N 314.382 -0.185 30 20 DBED C=CCn1cc(CNS(=O)(=O)CCC(=O)OCC)nn1 425181457 WPDBIUCFGIZPFT-UHFFFAOYSA-N 302.356 -0.163 30 20 DBED COC(=O)[C@H]1CNC(=O)CN1CC(=O)Nc1cccc(C#N)c1 447918822 SYUHYKASVNXVLH-GFCCVEGCSA-N 316.317 -0.530 30 20 DBED C#CCN(CC#CC)C(=O)CNS(=O)(=O)CCOC(C)C 490739764 GRHBYJGRHSKHBE-UHFFFAOYSA-N 314.407 -0.184 30 20 DBED C#CCNC(=O)CCNCCS(=O)(=O)N1CCSCC1 491735637 OZHGRLKAGXXPFV-UHFFFAOYSA-N 319.452 -0.906 30 20 DBED C#CCNC(=O)C1CCN(S(=O)(=O)c2cn(C)nc2C)CC1 491740454 DVHLWLFQZDEPKW-UHFFFAOYSA-N 324.406 -0.121 30 20 DBED COC(=O)N1CCC(CNC(=O)Cn2cnc(C#N)n2)CC1 496347877 UOELAVCIPBMUPB-UHFFFAOYSA-N 306.326 -0.256 30 20 DBED COC(=O)CC[C@@H](NS(=O)(=O)N(C)[C@@H](C)CC#N)C(=O)O 517945076 SAGIPSUFJWONGQ-DTWKUNHWSA-N 321.355 -0.539 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1cncc(OC)n1 571646400 BTPWEJFYISVQSE-MFKMUULPSA-N 320.349 0.521 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N[C@@H](CO)[C@H]1CCCOC1 576242253 SOFIYBUXYZNRID-WOPDTQHZSA-N 305.400 -0.158 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H](CO)CC2)C1=O 578310847 JDDPIZWVOVGVMN-LLVKDONJSA-N 323.349 -0.416 30 20 DBED C[C@H](C(=O)N1CCN(c2ncc[nH]2)CC1)n1cnc(C#N)n1 580782865 GJQHJTKLNRCOLY-SNVBAGLBSA-N 300.326 -0.217 30 20 DBED Cn1c(=O)oc2c(NC(=O)NCC(=O)NCC#N)cccc21 588268180 NKYLYHISIPFOAK-UHFFFAOYSA-N 303.278 -0.107 30 20 DBED C[C@H]1CN(C(=O)C(=O)Nc2ccn(CCC#N)n2)C[C@@]1(C)CO 595210770 HQIHMUUESOKBFJ-NHYWBVRUSA-N 319.365 0.212 30 20 DBED CO[C@H]1C[C@H](NC(=O)C(=O)N2CCN(CCC#N)CC2)C1(C)C 602267915 YVERSXXIBADMGQ-STQMWFEESA-N 322.409 -0.026 30 20 DBED CCN1C(=O)[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)CCN2C1=O 611037866 OVESDYGCCKYPAW-NSHDSACASA-N 301.306 -0.005 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N(CC(N)=O)C2CCCC2)CCO1 619707629 SHRNJECKCHIMKZ-LLVKDONJSA-N 316.383 -0.815 30 20 DBED CC#CC[C@@H](CO)NC(=O)C(=O)Nc1cccc(C(N)=O)c1 646955048 JVZZYVVINPBECD-LBPRGKRZSA-N 303.318 -0.386 30 20 DBED C#Cc1ccc(C(=O)N2CCNC(=O)[C@H]2CC(=O)OC)nc1 728861918 RSVFBGCJABCVGL-GFCCVEGCSA-N 301.302 -0.433 30 20 DBED CN(C)S(=O)(=O)c1c[nH]c(C(=O)N(CC#N)CC(=O)O)c1 737376275 QUXIJLPLVUWWRB-UHFFFAOYSA-N 314.323 -0.685 30 20 DBED C#CCOCCC(=O)Nc1cccc(C(=O)NCC(N)=O)c1 755511296 PSQPKWURUWSUPC-UHFFFAOYSA-N 303.318 -0.120 30 20 DBED C#CCNC(=S)N1CCC(C(=O)NCC(=O)OCC)CC1 758250459 DZCCEVAEFYKUQW-UHFFFAOYSA-N 311.407 -0.115 30 20 DBED O=C(O)Cn1cc(C=NNS(=O)(=O)c2ccccc2)nn1 768476571 QHUJFRMUCLRMDZ-UHFFFAOYSA-N 309.307 -0.325 30 20 DBED C#C[C@H](N[C@H](C)C(=O)N1CCN(C(C)=O)CC1)[C@H]1CCCO1 775801153 STCCXRQDUDYUNP-VHDGCEQUSA-N 307.394 -0.164 30 20 DBED N#Cc1cnn2c(O)cc(COC(=O)C3=NNC(=O)CC3)nc12 781830980 UEWNYOKAMZGFLA-UHFFFAOYSA-N 314.261 -0.384 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@@H]1CCC[C@H]1CCO)[C@H]1CCCO1 809306062 MUFFJFDOWPNSLX-IGQOVBAYSA-N 308.378 -0.049 30 20 DBED C#CCNC(=O)CCNC[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O 819129451 JCTPRUVESITIIW-XHDPSFHLSA-N 306.366 -0.564 30 20 DBED CC#CC[C@H](CO)NC(=O)c1ccc(F)c(S(N)(=O)=O)c1 844117530 DVSXTYZUIAQKDG-SNVBAGLBSA-N 314.338 -0.023 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2[C@H](C)O[C@@H](C)[C@@H]2C)CC1 859180133 RXYLVZAMUJZPRY-YXWQFLTLSA-N 321.421 -0.061 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2ncccc2OC)CC1 865156601 HIEAXOHFERMMBB-UHFFFAOYSA-N 316.361 -0.403 30 20 DBED CNC(=O)[C@H](C#N)C(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 917004999 IIYMLGBVDIXDEW-LMZXYNMPSA-N 301.302 -0.752 30 20 DBED N#Cc1cccc(S(=O)(=O)NCC(=O)NN2CCOCC2)c1 920347679 BPABKIQYNWOHPA-UHFFFAOYSA-N 324.362 -0.800 30 20 DBED CC(C)OCCS(=O)(=O)N1CCN(C[C@H](O)CC#N)CC1 929772996 VXZVXVYIWZEOHY-CYBMUJFWSA-N 319.427 -0.367 30 20 DBED Cc1nn[nH]c1C(=O)N1CC[C@@H]1CNC(=O)c1cc(C#N)c[nH]1 949298751 RBNGVRLKZOLSMN-SNVBAGLBSA-N 313.321 -0.043 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H](NC(=O)c2c[nH]c(C(N)=O)c2)C1 951872161 HRKARLWYBICVCT-ONGXEEELSA-N 317.349 -0.006 30 20 DBED N#Cc1cc(C(=O)N2CC[C@@H]3CCN(C(=O)C(N)=O)[C@@H]3C2)c[nH]1 953304341 BDSCVYGRNPJIPP-BXKDBHETSA-N 315.333 -0.565 30 20 DBED CN(C(=O)[C@H]1COC(=O)N1)C1CN(C(=O)c2cc(C#N)c[nH]2)C1 954189411 ORPSMMYONQNUEZ-LLVKDONJSA-N 317.305 -0.722 30 20 DBED C[C@H](C#N)C(=O)N1CC(N(C)C(=O)c2cncc(C(N)=O)c2)C1 954340708 VCZKMXBBCSNTCN-SECBINFHSA-N 315.333 -0.377 30 20 DBED N#CCN1C[C@H](O)[C@H](CNC(=O)c2ccnc3[nH]cnc23)C1 958100922 IYHQBNFESYNIBA-KOLCDFICSA-N 300.322 -0.496 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@@H](CNC(=O)c2cc(=O)n(C)cn2)C1 958148278 GYUXPYHEXUTHOD-GXTWGEPZSA-N 320.393 -0.231 30 20 DBED C#CCCN1C[C@@H](O)[C@@H](CNC(=O)c2ncc(OC)cn2)C1 958242529 CYXWOECDNORDOM-WCQYABFASA-N 304.350 -0.469 30 20 DBED Cc1[nH]nc2ncc(C(=O)NC[C@@H]3CN(CC#N)C[C@@H]3O)cc12 958672039 INBISBLDYCCYHM-YPMHNXCESA-N 314.349 -0.188 30 20 DBED CC#CCN1C[C@H]2[C@H](NC(=O)c3cn([C@@H]4CCOC4)nn3)[C@H]2C1 962227667 GORHGLMHXKCGIR-CXTNEJHOSA-N 315.377 -0.077 30 20 DBED Cc1cc(C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2O)ncn1 962322437 GFVPJAZXVRAYSP-KGLIPLIRSA-N 314.345 -0.500 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 962387776 LUXLBSUEKFEMBG-FXAINCCUSA-N 301.306 -0.652 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@@H]3[C@H]2CCCN3C(=O)C(N)=O)[nH]1 963508421 FYLHCKPCWHFHRX-VXGBXAGGSA-N 315.333 -0.423 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CN(C(=O)c3ccnn3C)CCO2)C1 965325558 USGOMBVOVROHCC-NSHDSACASA-N 317.349 -0.367 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(C[C@@H](NC(=O)Cc3ccon3)CO2)C1 965668315 ULNSVUPDQRVMJE-CMPLNLGQSA-N 318.333 -0.137 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N2CCN(C(C)=O)CC2)C1 967166853 AOKKRACZNXKNCP-CABCVRRESA-N 307.394 -0.048 30 20 DBED CCc1cc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)nn1C 968496344 KFZWHESEILRFKK-WQAKAFBOSA-N 319.365 -0.556 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@H](NC(=O)C[C@@H]2CCC(=O)N2)C1 968779097 NDUITKHRSXGUTH-TUAOUCFPSA-N 323.393 -0.445 30 20 DBED C=CCN[C@@H]1CCN(C(=O)Cn2nc3ccccn3c2=O)C1 969523603 GNSWSHVBXWDKBE-GFCCVEGCSA-N 301.350 -0.128 30 20 DBED C=C(C)CN1CCO[C@@]2(CCN(C(=O)CS(C)(=O)=O)C2)C1 972285023 LEBNGMJWAXGHEN-AWEZNQCLSA-N 316.423 -0.090 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)CCc3cnn(C)n3)C2)C1 972553586 HOHAFFIRLPLXIH-INIZCTEOSA-N 317.393 -0.316 30 20 DBED Cn1nc(C(=O)N2CC[C@@]3(CN(CC#N)CCO3)C2)ccc1=O 972664282 KSPCWGFFQSKZPW-OAHLLOKOSA-N 317.349 -0.779 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H]2[C@@H]3CN(C(=O)c4nc[nH]n4)C[C@@H]32)c1 976327028 HTAIVVZLGJMSIE-JZYVYDRUSA-N 311.305 -0.495 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]1CN(C)C(=O)c1cc(C(N)=O)c[nH]1 978273485 ZHTHOOZAEKAUKL-MWLCHTKSSA-N 317.349 -0.054 30 20 DBED C#CCN1C[C@H]2[C@H](CNC(=O)[C@H]3CN(C(C)=O)CCO3)[C@H]2C1 979014687 MKGLVAKUMNGHAP-APIJFGDWSA-N 305.378 -0.839 30 20 DBED CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)C(N)=O 984790830 ZGUTVZCBGOUPLF-WDEREUQCSA-N 303.322 -0.519 30 20 DBED C[C@H]1[C@H](NCCN2C(=O)CNC2=O)CCN1C(=O)C#CC1CC1 986288452 UVIGNBJEYSYOGG-WCQYABFASA-N 318.377 -0.469 30 20 DBED C[C@H]1[C@H](NCC#N)CCN1C(=O)CN1CCCS1(=O)=O 986328711 CMTYRKMWDXGTIC-WDEREUQCSA-N 300.384 -0.876 30 20 DBED C=CCn1cc(C(=O)NC2CN(C(=O)c3[nH]cnc3C)C2)nn1 991693421 NEZCEJDYVJRCPW-UHFFFAOYSA-N 315.337 -0.250 30 20 DBED O=C(NC1CN(C(=O)C#CC2CC2)C1)c1cnc2[nH]nnc2c1 994225050 QJYVKAOBPNNJCE-UHFFFAOYSA-N 310.317 -0.293 30 20 DBED C[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1CNC(=O)c1c[nH]c(=O)cn1 994514315 CGGWYUCSUMOJRO-GMTAPVOTSA-N 317.349 -0.246 30 20 DBED COCc1nn(C)cc1C(=O)NC1CN(C(=O)[C@H](C)C#N)C1 994589096 HRFGRTCZGAZSDE-SECBINFHSA-N 305.338 -0.333 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN(C(=O)Cc2ncc[nH]2)C1 994752789 VQNLBTGICDFLLD-ZDUSSCGKSA-N 315.377 -0.623 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)C[C@H]2CCCS2(=O)=O)C1 996549207 DBZDPGQKARRTLX-GXSJLCMTSA-N 313.379 -0.560 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)c3nccnc3N)C2)cn1 997089508 GCSARWKSRIRJBW-UHFFFAOYSA-N 322.328 -0.311 30 20 DBED C#Cc1cncc(C(=O)NC2CN(C(=O)Cn3cncn3)C2)c1 999319499 KNWQOQBXTSUKNB-UHFFFAOYSA-N 310.317 -0.705 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)Cc2ncc[nH]2)C1 1000009960 UOHOUPCMZDMGMP-NEPJUHHUSA-N 304.350 -0.130 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)COC 1003675530 VNXOCWLXYKDWKQ-KBXIAJHMSA-N 319.405 -0.022 30 20 DBED C#Cc1ccc(C(=O)N2CC(CNC(=O)c3cnon3)C2)nc1 1003808457 QIDMRFZJJOYXMD-UHFFFAOYSA-N 311.301 -0.052 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H]1[C@@H]2CN(C(=O)COC)C[C@H]12 1009187425 CKJONEYOGGPSHJ-XQLPTFJDSA-N 319.405 -0.449 30 20 DBED C=CCCN1CCC[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 1009557869 GHSSWMLUMLDSHX-NEPJUHHUSA-N 301.412 -0.165 30 20 DBED CCn1cc(CC(=O)N2CCN(C(=O)C#CC3CC3)CC2)nn1 1011109089 NRBXKLBBAPQURQ-UHFFFAOYSA-N 315.377 -0.075 30 20 DBED C=CCN1CC[C@H](NC(=O)c2ccc(=O)n(CCOC)n2)C1 1015174779 BZUOMRZKYDHNPB-LBPRGKRZSA-N 306.366 -0.120 30 20 DBED CNC(=O)CN1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(C#N)c[nH]1 1017450423 FUALOKFRBSRUOB-TXEJJXNPSA-N 301.350 -0.079 30 20 DBED C#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)NC(=O)C1(C)C 1018142320 OYCDCZOJSPHKKD-TXEJJXNPSA-N 318.377 -0.375 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCN(C(=O)c3cn(C)nn3)C2)C1 1019362959 JJLHOUBNTWHEOS-JTQLQIEISA-N 302.338 -0.351 30 20 DBED O=C1NC[C@H](C(=O)N2C[C@@H]3CCN(C(=O)C#CC4CC4)[C@@H]3C2)N1 1021590655 IRRHAWUEWKSMEI-YNEHKIRRSA-N 316.361 -0.860 30 20 DBED C=CCN1CC[C@H](N[C@H]2C[C@@H](NC(=O)[C@@H]3COCCO3)C2)C1=O 1021854683 NAMTWPGJYDLNQD-CRWXNKLISA-N 323.393 -0.575 30 20 DBED COCCn1nc(C(=O)N[C@H]2C[C@@H](NCC#N)C2)ccc1=O 1022394733 CHWBQBYSKVAEEB-PHIMTYICSA-N 305.338 -0.736 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)COC)C[C@H]2O)cc1 1024981599 LMRWLRWODPVSTK-ZIAGYGMSSA-N 302.330 -0.384 30 20 DBED C#CCN1CCC(C(=O)NC[C@H]2CCN(CC(N)=O)C2)CC1 1029003044 HHTLNMKODCXWFP-CYBMUJFWSA-N 306.410 -0.745 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)c3cnnc(O)c3)C2)C1=O 1030484917 DBMCYSWOCJXOOU-GFCCVEGCSA-N 317.349 -0.617 30 20 DBED C=CCN1CC[C@@H](N2CC(CNC(=O)[C@H]3CCCN3C)C2)C1=O 1031584745 JKAKRUVOQXFNQZ-HUUCEWRRSA-N 320.437 -0.085 30 20 DBED C=CCn1cc(C(=O)NCC2CN([C@H]3CCNC3=O)C2)nn1 1032036297 XDXBGJQZYNHBRP-LBPRGKRZSA-N 304.354 -0.986 30 20 DBED N#CCN1CCO[C@@H](CNC(=O)[C@H]2CCc3cncn3C2)C1 1035419675 RMDRGKDWVYQGGR-JSGCOSHPSA-N 303.366 -0.214 30 20 DBED C=CCN1CCO[C@H](CNC(=O)[C@@H]2CN3CC4CC3(CO2)C4)C1 1035445229 BEOCZRPSZIGIHP-DGNOSDGRSA-N 321.421 -0.147 30 20 DBED C=CCCN1CCO[C@@H](CNC(=O)C2CC(=O)NC(=O)C2)C1 1035548167 ZJYLSTLAVOFUIX-LBPRGKRZSA-N 309.366 -0.568 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)c3nccnc3C(N)=O)CC[C@@H]21 1036889735 HEFJKITXYUZELF-NEPJUHHUSA-N 313.361 -0.255 30 20 DBED C#CCN1[C@H]2CCC[C@H]1CN(C(=O)Cn1cnc(C(N)=O)n1)C2 1039592368 FLLMIDVUFVAMSI-RYUDHWBXSA-N 316.365 -0.925 30 20 DBED CC(C)C#CC(=O)N1CC[C@](O)(CNC(=O)c2cnnn2C)C1 1039609203 HBMZQZXUGRZBGP-HNNXBMFYSA-N 319.365 -0.832 30 20 DBED CC(C)C#CC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2COCCO2)C1 1039664384 PDMQMKOJNIQMHO-BBRMVZONSA-N 324.377 -0.859 30 20 DBED C=CCO[C@@H](C)C(=O)NC[C@@]1(O)CCN(C(=O)c2cnon2)C1 1040161326 MBZKQIKCWGTEIF-HZMBPMFUSA-N 324.337 -0.646 30 20 DBED N#Cc1cnccc1N1C[C@@H](O)[C@H](NC(=O)C2=CCOCC2)C1 1040997512 HMPBQYKUBQBJSO-UKRRQHHQSA-N 314.345 -0.034 30 20 DBED N#Cc1nccc(N2C[C@@H](O)[C@H](NC(=O)[C@@]34COC[C@@H]3C4)C2)n1 1041400937 KXSZMBXEGVOLPB-SQYUCLKFSA-N 315.333 -0.950 30 20 DBED C=C(C)CCC(=O)N1CC(O)(CNC(=O)CN2CCCC2=O)C1 1041410131 ITPZSWXKBPCOFZ-UHFFFAOYSA-N 323.393 -0.345 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)CCCCOC)C1 1041913839 PULACSPRENWRAI-UHFFFAOYSA-N 314.382 -0.305 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(O)CN(C(=O)[C@H](C)SC)C1 1042806500 HFIDGPPANOAVLN-GXFFZTMASA-N 316.423 -0.246 30 20 DBED Cc1ncoc1C(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042958955 PYTIZKCVGCIWPP-UHFFFAOYSA-N 303.318 -0.300 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)COCCC)C1 1043032725 HANATZRYHZWRJH-UHFFFAOYSA-N 312.366 -0.858 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)[C@H]2CC2(C)C)C1 1043033080 QUKSWBRENGFRLO-GFCCVEGCSA-N 308.378 -0.238 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)C(C)(F)F)C1 1043042797 XAPGTEZUTUPUOX-VIFPVBQESA-N 304.293 -0.631 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(O)(CNC(=O)c2cccnn2)C1 1045231751 JRHMZPPIHZSJOO-AWEZNQCLSA-N 320.349 -0.893 30 20 DBED C#CCN1CC[C@H](N2CCN(C(=O)c3cn(C)cn3)CC2)C1 1046019784 JOHLLWCCEDZAMC-AWEZNQCLSA-N 301.394 -0.115 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)CC(C)(F)F)C1 1046173298 LOPCNDCOAYACME-SNVBAGLBSA-N 318.320 -0.241 30 20 DBED CN(C(=O)c1cn2c(n1)COCC2)[C@H]1CN(CC#N)C[C@@H]1O 1047428692 HYIJEIQQWMMAGQ-RYUDHWBXSA-N 305.338 -0.946 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)c2c(C)c(C)nn(C)c2=O)C1 1047479273 HRKODSLXSHWJIB-STQMWFEESA-N 320.393 -0.300 30 20 DBED CN(C)Cc1ccoc1C(=O)N(C)[C@H]1CN(CC#N)C[C@@H]1O 1047505388 ITKFHBABMGBWSH-STQMWFEESA-N 306.366 -0.018 30 20 DBED C=C(C)CN1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C(N)=O)[nH]2)C1 1047529495 DKYDCXYEYNWBSH-STQMWFEESA-N 306.366 -0.193 30 20 DBED N#CCN1C[C@H]2CN(C(=O)[C@@H]3Cc4cncn4C(=O)N3)C[C@H]2C1 1048952237 GJBCBYCJVWDBEP-LOWVWBTDSA-N 314.349 -0.721 30 20 DBED COCC1(C(=O)N(C)[C@H]2CN(C(=O)C#CC3CC3)C[C@@H]2O)CC1 1049075423 ONDASPYSOQZRAE-KBPBESRZSA-N 320.389 -0.144 30 20 DBED C#CCCN1CCOC[C@H]1CNC(=O)c1cnn(CCOC)c1 1051228284 FRBZDUIRFZXBHL-OAHLLOKOSA-N 320.393 -0.017 30 20 DBED COc1ccc(CNC[C@@H]2CN(C(=O)[C@H](C)C#N)CCO2)nn1 1051494300 HFMXYCMYHPUAHW-DGCLKSJQSA-N 319.365 -0.038 30 20 DBED N#CCN1CCC[C@H](NC(=O)Cn2ccc(O)nc2=O)CC1 1052534197 FHOFWYXRBDFKMJ-NSHDSACASA-N 305.338 -0.557 30 20 DBED C#CCN1CC2(C1)CN(C(=O)CCc1cncnc1)CCO2 1053340364 CVXYTVIEVPAJQW-UHFFFAOYSA-N 300.362 -0.044 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)[C@@H](C)N3C(=O)CCC3=O)CO2)C1 1053820812 MJIHOQKLPKYJIJ-NEPJUHHUSA-N 319.361 -0.883 30 20 DBED C#CCN[C@H]1CN(C(=O)CN2C(=O)CC(C)(C)C2=O)C[C@H]1C 1054654430 FCTFAJCSTWFAMR-NEPJUHHUSA-N 305.378 -0.159 30 20 DBED Cc1cc(C#N)nc(N2CCN(C(=O)c3ncn(C)n3)CC2)n1 1055786473 IVZZYSVVFUARJJ-UHFFFAOYSA-N 312.337 -0.252 30 20 DBED C=CCCC(=O)N[C@@]1(CO)CCCN(C(=O)c2ncn(C)n2)C1 1055823940 MKUPWCHNIRYCMA-HNNXBMFYSA-N 321.381 -0.135 30 20 DBED CN1CCC[C@@H]1C(=O)NC1[C@H]2CN(c3cnc(C#N)cn3)C[C@H]12 1056148737 GRUNSOSSJPGEIL-RWMBFGLXSA-N 312.377 -0.007 30 20 DBED N#Cc1ccc(N2C[C@@H]3C(NC(=O)[C@@H]4CCC(=O)N4)[C@H]3C2)cn1 1056264996 YRHOWLVKAJOIAG-AVGNSLFASA-N 311.345 -0.217 30 20 DBED C=C(C)C[C@@H](C)C(=O)NCCN(CCO)C(=O)Cn1cnnn1 1056933340 XQIPTVFKOAEKDU-GFCCVEGCSA-N 324.385 -0.788 30 20 DBED C#CCO[C@H](C)C(=O)N(CCO)CCNC(=O)c1cocn1 1057583048 FXJLLYZRMXBZTM-LLVKDONJSA-N 309.322 -0.736 30 20 DBED N#Cc1nc(=N[C@@H]2CCCN(C(=O)[C@H]3COC(=O)N3)C2)cc[nH]1 1057630923 GWQYXEZKVIDGOH-NXEZZACHSA-N 316.321 -0.719 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)[C@@H]1CCN(C)[C@@H]1C 1057739775 OTRMWYGOOHGEJO-YNEHKIRRSA-N 310.398 -0.577 30 20 DBED C=CCCOCC(=O)N(CCO)CCNC(=O)Cn1cccn1 1057918945 GJQWVROHEYMEGJ-UHFFFAOYSA-N 324.381 -0.587 30 20 DBED C=CCO[C@H](C)C(=O)NCCN(CCO)C(=O)Cn1ccnc1 1057998907 MMHHCSIPRZQXBA-CYBMUJFWSA-N 324.381 -0.589 30 20 DBED CN1CCCC[C@@H]1C(=O)N(CCO)CCNC(=O)C#CC1CC1 1058038759 FQOGHSKHWOBQGN-OAHLLOKOSA-N 321.421 -0.179 30 20 DBED Cn1nnc(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cn3)C2)n1 1058218792 DECNWWNTHSBMPX-LLVKDONJSA-N 312.337 -0.124 30 20 DBED C=CC(C)(C)C(=O)NCCN(CCO)C(=O)c1cnc(O)n1C 1058300444 JEUGCWUAYHHWSR-UHFFFAOYSA-N 324.381 -0.111 30 20 DBED Cn1oc(C(=O)N[C@H]2CCN(c3cncc(C#N)n3)C2)cc1=O 1058335943 JKHSOULJUVKTNG-VIFPVBQESA-N 314.305 -0.351 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)[C@H]1CCN(C)C1=O 1058451479 VFWQVKXRSROVPO-LBPRGKRZSA-N 311.382 -0.632 30 20 DBED CN1C[C@H](C(=O)N[C@@H]2CCN(c3ncccc3C#N)C2)NC1=O 1058504413 PSNSUDJJCICWFQ-VXGBXAGGSA-N 314.349 -0.328 30 20 DBED C#Cc1ccc(C(=O)NCCN(CCO)C(=O)[C@H](C)C#N)cn1 1058654630 CEVSULKNHNBJOD-GFCCVEGCSA-N 314.345 -0.227 30 20 DBED COC(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1C[C@H](N=c2cc[nH]c(C#N)n2)C1 1059165018 OGGVSKHBXDGCSK-XWLWVQCSSA-N 315.333 -0.362 30 20 DBED C=CCOCC(=O)N1CC[C@@H](CCNC(=O)Cn2cncn2)C1 1059337853 RUUXXRUPFHDTTN-CYBMUJFWSA-N 321.381 -0.165 30 20 DBED CNC(=O)NCC(=O)NCC[C@@H]1CCN(C(=O)C#CC2CC2)C1 1059622215 DHJPKJCGKVFFKJ-CYBMUJFWSA-N 320.393 -0.316 30 20 DBED Cc1cc(=N[C@H]2C[C@@H](NC(=O)[C@@H]3CNC(=O)N3)C2)c(C#N)c[nH]1 1059803070 UMUSYSISALTZTI-LOWVWBTDSA-N 314.349 -0.576 30 20 DBED COCC(=O)NC[C@H]1COCCN1C(=O)c1ccc(C#N)[nH]1 1061196133 QOWSHLJXUDCTMR-NSHDSACASA-N 306.322 -0.510 30 20 DBED CNC(=O)CCCC(=O)NC[C@@H]1COCCN1C(=O)[C@H](C)C#N 1061521807 IGXHBEZSHAPJFV-VXGBXAGGSA-N 324.381 -0.594 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H]1COCCN1C(=O)c1ncc[nH]1 1061585444 WVIPSUSQQSUEFR-NEPJUHHUSA-N 320.349 -0.595 30 20 DBED Cc1nn(C)cc1C(=O)N1CCOC[C@H]1CNC(=O)[C@@H](C)C#N 1061845133 CWILFFXWFIRDQQ-CMPLNLGQSA-N 319.365 -0.155 30 20 DBED N#Cc1cncc(N2C[C@@H]3C[C@H]2CN3C(=O)c2ccc(O)nn2)n1 1062438619 PVNLJCLORMGTDX-QWRGUYRKSA-N 323.316 -0.053 30 20 DBED Cc1c(C(=O)N[C@H]2[C@H]3C[C@H]2N(c2ccnc(C#N)n2)C3)nnn1C 1064230465 UPEURJLTNAJHGL-RBZYPMLTSA-N 324.348 -0.208 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@H](CNC(=O)Cc2cnn(C)c2)C1 1065557654 TXRNTFBDTIMXAB-DGCLKSJQSA-N 319.365 -0.534 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCCN(C)C(=O)CN1C(=O)CCC1=O 1067400628 HUSMCFMIURQYLL-NSHDSACASA-N 322.365 -0.398 30 20 DBED Cc1cc(C#N)nc(N[C@H](C)[C@H]2CN(C(=O)C(N)=O)CCO2)n1 1068244247 SUKVNZRVHWTGLH-MWLCHTKSSA-N 318.337 -0.830 30 20 DBED C#CCN1CCOC[C@H]1c1n[nH]c(CNC(=O)c2cocn2)n1 1070581521 CBTDZDFWZMCYAE-NSHDSACASA-N 316.321 -0.271 30 20 DBED Cn1nnc(C(=O)N2CCC[C@@H](NC(=O)C#CC(C)(C)C)C2)n1 1071107184 LQMFPJYIIVRJRJ-LLVKDONJSA-N 318.381 -0.020 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H](C)[C@H](NC(=O)CC(C)(C)O)C1 1071936512 QDFWAGZJVDHMHO-NWDGAFQWSA-N 323.393 -0.750 30 20 DBED C=CCOCC(=O)N[C@H]1CN(C(=O)Cn2cnnc2O)C[C@H]1C 1071941721 CZZFOBRQEKKEGA-MNOVXSKESA-N 323.353 -0.851 30 20 DBED CC(C)C#CC(=O)N1C[C@H](C)[C@@H](NC(=O)C2(C(N)=O)CC2)C1 1072048487 LLHVTBJGVJGRFC-RYUDHWBXSA-N 305.378 -0.126 30 20 DBED CCCOCC(=O)N1CCN(C2CN(C(=O)[C@H](C)C#N)C2)CC1 1073547037 YUUVCNDLBQWCBU-CYBMUJFWSA-N 322.409 -0.072 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)CCc3cnn(C)n3)C[C@@H]21 1074339414 UAAMVTNPIMNFQL-LSDHHAIUSA-N 317.393 -0.317 30 20 DBED C#CCOCCC(=O)N1CCC(O)(CNC(=O)C(F)F)CC1 1074588879 VWXFVKKEWWFCNR-UHFFFAOYSA-N 318.320 -0.239 30 20 DBED C=CCOCC(=O)NCC[C@H](C)NC(=O)[C@@H]1CCCNC1=O 1075920046 NFOPTFYEQYEJDT-NWDGAFQWSA-N 311.382 -0.274 30 20 DBED Cc1nonc1CN1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 1076905933 GMNUXRVKPBOEDT-CHWSQXEVSA-N 316.321 -0.447 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3cn[nH]c3)cn2)C1 1077258070 QERHMWWKQYHCGH-HUUCEWRRSA-N 311.345 -0.120 30 20 DBED CC(C)C#CC(=O)N[C@@H](C)CCNC(=O)[C@@H]1CN(C)C(=O)N1 1077735482 ZUKLLPYBCAXQHO-RYUDHWBXSA-N 308.382 -0.320 30 20 DBED CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)C(C)(C)NC(=O)NC)C1 1080419637 DBOSMGLULGEAIM-JTQLQIEISA-N 323.397 -0.087 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CO)(NC(=O)[C@@]23COC[C@@H]2C3)CC1 1080884513 DCHWUEMQRCKTGR-MKBNYLNASA-N 321.377 -0.348 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)Cn2nccn2)C[C@H]1O 1081335688 NYEFSXVPJMIQTC-NWDGAFQWSA-N 307.354 -0.820 30 20 DBED C=CCN1C[C@@H](NC(=O)C2CCN(C(N)=O)CC2)[C@H](OC)C1 1082362972 GERPFUYXYOLFBZ-CHWSQXEVSA-N 310.398 -0.222 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCCN2C(=O)C2CC2)C1 1083839335 SNYZSHZPJGPHAD-RDBSUJKOSA-N 307.394 -0.265 30 20 DBED Cn1c(=O)ccn(CC(=O)N[C@@H]2CCCC[C@H]2NCC#N)c1=O 1085217630 KCACMQXBKIXXAN-VXGBXAGGSA-N 319.365 -0.912 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@H](NCc2nnnn2C)C1 1086480876 CYWYTUWWLHRFCB-LPWJVIDDSA-N 320.397 -0.214 30 20 DBED C[C@@H]1[C@@H](NC(=O)CN2CCCS2(=O)=O)CCN1CC#N 1088606468 UQRZIEGLUJPGNV-MNOVXSKESA-N 300.384 -0.876 30 20 DBED CCN(c1ccc(C#N)cn1)[C@H](C)CNC(=O)[C@@H]1CNC(=O)N1 1089728212 FJEGZDQGGNQVBX-PWSUYJOCSA-N 316.365 -0.034 30 20 DBED C#CCN1C[C@@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)Cn2cnnn2)C1 1089769325 KPYZKCRBRSWOBY-FQUUOJAGSA-N 300.366 -0.525 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2c(C)nnn2CC)[C@H](O)C1 1090321694 HPMIIQBQBGXUST-CHWSQXEVSA-N 305.382 -0.205 30 20 DBED CSCCC(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1091067092 NBYLDYKPIKNHDG-MNOVXSKESA-N 307.379 -0.233 30 20 DBED COCC(=O)NC[C@@]1(C)CN(c2cncc(C#N)n2)CCO1 1092719178 KCQGVVQAKWNLQA-AWEZNQCLSA-N 305.338 -0.294 30 20 DBED CNC(=O)CC(=O)NC1[C@H]2CN(c3ccnc(C#N)n3)C[C@H]12 1093242294 RVYLQPZOMBEPPA-IUCAKERBSA-N 300.322 -0.965 30 20 DBED CC(=O)N1CCO[C@H](C(=O)NCCNc2ccc(C#N)nc2)C1 1093798837 DGBPAYCOHYGNPJ-AWEZNQCLSA-N 317.349 -0.271 30 20 DBED C[C@H]1CC(=O)N[C@@H](C(=O)NCCNc2cnc(C#N)cn2)C1 1094178428 DROZWTMDVKILQY-MWLCHTKSSA-N 302.338 -0.209 30 20 DBED N#Cc1cnc(NCCCNC(=O)CCn2cncn2)cn1 1094308696 FYOIWNWJBKYCDS-UHFFFAOYSA-N 300.326 -0.052 30 20 DBED Cc1cc(C#N)nc(NCCCNC(=O)Cn2cnnn2)n1 1094314318 AMTSRUJFBCIRHS-UHFFFAOYSA-N 301.314 -0.738 30 20 DBED C#CCOCCC(=O)NCCCNc1nccn2nnnc12 1094593566 CVXCUMISZFCIAO-UHFFFAOYSA-N 303.326 -0.523 30 20 DBED C=CCN1CCN(C(=O)[C@@H]2CCCO2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094602958 DXAWNKWEWGHHQB-XQQFMLRXSA-N 314.407 -0.339 30 20 DBED C=C(C)CN1CC(N2C[C@@H](NC(=O)Cn3cccn3)CC2=O)C1 1094705291 KEEGPUGVZMRUCH-ZDUSSCGKSA-N 317.393 -0.140 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)c3nc(C)c[nH]3)CC2=O)C1 1094792071 LNOFCCXYYFMPCZ-NSHDSACASA-N 303.366 -0.081 30 20 DBED COC(=O)NCC(=O)N1CC[C@@H](N=c2cc[nH]c(C#N)n2)C1 1095019720 FIBRHUQQLWMBEW-SECBINFHSA-N 304.310 -0.861 30 20 DBED CS(=O)(=O)CCC(=O)N1CC[C@@H](Nc2nccnc2C#N)C1 1095086859 BUHALUIGJPTNGY-SNVBAGLBSA-N 323.378 -0.204 30 20 DBED CN(CCCNC(=O)CCNC(N)=O)c1ncccc1C#N 1095557007 YWVPAKLTBMMZPH-UHFFFAOYSA-N 304.354 -0.046 30 20 DBED CC(C)(C(N)=O)C(=O)N[C@H]1CCN(c2ccc(C#N)nn2)C1 1096445560 YGYNQORCZFXZEA-JTQLQIEISA-N 302.338 -0.445 30 20 DBED N#Cc1cnc(N2CCC[C@@H](CNC(=O)CNC(N)=O)C2)cn1 1097287201 YDRQTJHBKHOZRV-JTQLQIEISA-N 317.353 -0.651 30 20 DBED C[C@H](CNC(=O)c1cc(=O)n(C)o1)Nc1ccc(C#N)nn1 1097783352 VNQQGOIKLLZSBH-MRVPVSSYSA-N 302.294 -0.130 30 20 DBED C[C@@H](CNC(=O)[C@H](C)S(C)(=O)=O)N=c1cc[nH]cc1C#N 1098393131 QKKPDPITAMTSSV-UWVGGRQHSA-N 310.379 -0.275 30 20 DBED CC#CCN(CCO)C1CCN(C(=O)[C@H]2CC[C@@H]2C(N)=O)CC1 1098447179 BXVZDGLNXAVXES-GJZGRUSLSA-N 321.421 -0.194 30 20 DBED C[C@@H](CCNC(=O)c1ccc(O)nn1)N=c1cc[nH]c(C#N)n1 1098864234 OVJARSUIEDOUIJ-VIFPVBQESA-N 313.321 -0.114 30 20 DBED Cc1c(C(=O)NCC[C@@H](C)N=c2cc[nH]c(C#N)n2)nnn1C 1098994201 KPEYHQMWOFDCGC-SECBINFHSA-N 314.353 -0.172 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)CNC(=O)CC)[C@H](O)C1 1099740714 IPAWJAAUYYSSIV-CHWSQXEVSA-N 313.398 -0.733 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)Cc2cc[nH]n2)[C@H](O)C1 1099749491 JSJHQGQBHVROER-ZIAGYGMSSA-N 306.366 -0.847 30 20 DBED CC(C(=O)N[C@@H]1CCN(CC(=O)NCC#N)C[C@H]1O)=C1CCC1 1099814117 ZVXVURPUHKZNNF-ZIAGYGMSSA-N 320.393 -0.322 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCN(Cc2ccnn2C)C[C@@H]1O 1099832124 BPYHUKOHHYTSLL-CABCVRRESA-N 320.393 -0.489 30 20 DBED C#CCCN1CC[C@H](NC(=O)CCc2ncccn2)[C@@H](O)C1 1100044078 QYQKBSPNWPVHED-KBPBESRZSA-N 302.378 -0.016 30 20 DBED Cc1ccc(C#N)c(N(C)CCNC(=O)[C@@H]2CNC(=O)N2)n1 1100308538 GUXYYDHSGDYILI-NSHDSACASA-N 302.338 -0.505 30 20 DBED CC(=O)N(C)CC(=O)NC[C@H]1CCN(c2cncc(C#N)n2)C1 1100960415 ZIBJTCLQJIGRIQ-GFCCVEGCSA-N 316.365 -0.231 30 20 DBED CN(C)C(=O)C1(C(=O)N(C)CCN=c2cc[nH]c(C#N)n2)CC1 1101773922 XYIYOKDCXJHEAA-UHFFFAOYSA-N 316.365 -0.491 30 20 DBED CN(CCN=c1cc[nH]cc1C#N)C(=O)c1cn(C)c(=O)cn1 1102048390 ZGMVYUCWSBJOGQ-UHFFFAOYSA-N 312.333 -0.347 30 20 DBED C=C(C)CN1C[C@@H](C)[C@H](CNC(=O)CNS(=O)(=O)NC)C1 1102190115 RNTOUOIOAMHQLC-VXGBXAGGSA-N 318.443 -0.700 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)[C@H](C)n1cncn1 1104528302 RVPLJBKFWYDTML-QWRGUYRKSA-N 314.353 -0.118 30 20 DBED CNC(=O)NCC(=O)N(C)[C@H](C)CNc1nccnc1C#N 1104856469 SPEGAMKZIWMMBE-SECBINFHSA-N 305.342 -0.464 30 20 DBED C[C@@H]1CN(C(=O)c2nccnc2C(N)=O)C[C@H]1CCNCC#N 1104992550 ZNXPBQLOHAPJIC-GHMZBOCLSA-N 316.365 -0.213 30 20 DBED C=CCOCCNCc1cn(C2CN(C(=O)[C@@H](C)OC)C2)nn1 1105176454 LRGGYUBMRJFJNW-GFCCVEGCSA-N 323.397 -0.012 30 20 DBED CCc1nc(C#N)cc(N(C)CCN(C)C(=O)CC(N)=O)n1 1105348561 PXLLENHNMAXKFY-UHFFFAOYSA-N 304.354 -0.319 30 20 DBED CN(CCN(C)c1cncc(C#N)n1)C(=O)CN1CCOCC1 1105372083 RVLGSVGLUVPMQZ-UHFFFAOYSA-N 318.381 -0.425 30 20 DBED CN(CCN(C)c1ccnc(C#N)n1)C(=O)C(=O)NCC1CC1 1105448358 SQUCZVJOULNPMT-UHFFFAOYSA-N 316.365 -0.231 30 20 DBED C#CCN[C@@H]1C[C@@]2(C[C@H]1O)CN(C(=O)CNC(N)=O)[C@H]2C(C)C 1105594919 XJNQRGLYOCRCNA-UNIGVISCSA-N 322.409 -0.746 30 20 DBED N#Cc1nc(=NC[C@H](O)CNC(=O)CCc2ccco2)cc[nH]1 1105743775 DLFXVVMZYZDVMW-NSHDSACASA-N 315.333 -0.115 30 20 DBED Cn1ccc(CC(=O)NC[C@H](O)CNc2ncccc2C#N)n1 1105819417 XYDOCJKFOAUGNZ-ZDUSSCGKSA-N 314.349 -0.182 30 20 DBED Cc1nc(NC[C@H](O)CNC(=O)[C@@H]2CCC(=O)N2)ccc1C#N 1105922706 WQFDTRSYGFKPHL-RYUDHWBXSA-N 317.349 -0.571 30 20 DBED COCCCOCC(=O)NC[C@@H](O)CNc1cnc(C#N)cn1 1105960017 WNWYKGVPEHGFIC-LBPRGKRZSA-N 323.353 -0.710 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1 1106125527 XHRIZOCNCJVBOJ-UTUOFQBUSA-N 317.349 -0.750 30 20 DBED CCN(CCNc1ccc(C#N)nn1)C(=O)[C@@H]1COCCN1C 1106732127 XJJNYSBANSAKBE-ZDUSSCGKSA-N 318.381 -0.061 30 20 DBED C[C@H](O)CN1CC(n2cc(CNC(=O)C#CC3CC3)nn2)C1 1107169631 OPTSMQHKTKTROA-NSHDSACASA-N 303.366 -0.455 30 20 DBED CC(C)C#CC(=O)NC[C@@]1(C)CN(Cc2nnn(C)n2)CCO1 1107926531 JHQKOXKHVZXKCQ-HNNXBMFYSA-N 320.397 -0.423 30 20 DBED CNC(=O)NC(C)(C)C(=O)NC[C@@]1(C)CN(CC#N)CCO1 1108417506 CKQOQCDUNAUCCI-AWEZNQCLSA-N 311.386 -0.575 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)CCn3cccn3)CC2=O)C1 1108505735 BUCXJICLKYSFJF-ZDUSSCGKSA-N 317.393 -0.140 30 20 DBED C=CCOCC(=O)N[C@@H]1CC(=O)N(C2CN(CCCF)C2)C1 1108521917 KDMLSIURDYQUBB-GFCCVEGCSA-N 313.373 -0.050 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)[C@H](CC)NC(C)=O)CC2=O)C1 1108577760 OVYKFNZDCWBBQN-OCCSQVGLSA-N 322.409 -0.512 30 20 DBED N#CCNC(=O)CN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cn[nH]c1)C2 1108625300 ABHLJVXVMJLILW-DRZSPHRISA-N 316.365 -0.368 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)[C@H]1C[C@@H](C)CC(=O)N1 1108725185 MZPYGQQRRIAMDY-OUAUKWLOSA-N 316.365 -0.399 30 20 DBED CCC(=O)NCC(=O)N[C@@H](C)CN(C)c1ccc(C#N)nn1 1108880024 MLZCOIPIPJHJFN-JTQLQIEISA-N 304.354 -0.185 30 20 DBED C[C@@H](CC(=O)N[C@H](C)CN(C)c1nccnc1C#N)NC(N)=O 1109096387 AXNLQTOYESGLFH-VHSXEESVSA-N 319.369 -0.264 30 20 DBED CN(CCCN=c1cc[nH]c(C#N)n1)C(=O)CO[C@H]1CCOC1 1109532861 WCOXMEYDLGOMQB-LBPRGKRZSA-N 319.365 -0.164 30 20 DBED C#CCN(C(=O)C(N)=O)C1CCN(c2nccc(C)n2)CC1 1110628922 VHYDGWPCXUHYTG-UHFFFAOYSA-N 301.350 -0.299 30 20 DBED C#CCNC(=O)CC(=O)N[C@]1(C)CCN(c2cc(F)ncn2)C1 1110741718 LSPSQPHKBJOQRW-OAHLLOKOSA-N 319.340 -0.160 30 20 DBED N#Cc1nccnc1NC1(CNC(=O)CC(N)=O)CCOCC1 1110979592 SLRGVHOTXVHLNY-UHFFFAOYSA-N 318.337 -0.699 30 20 DBED CNC(=O)CC(=O)N1CCO[C@@H](CNc2ncccc2C#N)C1 1111940829 VJOJKPCFGVYQRK-LBPRGKRZSA-N 317.349 -0.271 30 20 DBED CN(CCCN(C)c1cncc(C#N)n1)C(=O)[C@H]1COC(=O)N1 1112075051 INBJMJCNNALFGO-LLVKDONJSA-N 318.337 -0.259 30 20 DBED C[C@@H]1CN(C(=O)CNC(N)=O)C[C@@H]1Nc1ncccc1C#N 1112306549 HYKQCKKUYQHCAS-KOLCDFICSA-N 302.338 -0.120 30 20 DBED C#CCNC(=O)CC(=O)N1CCN(Cc2ncnn2CC)CC1 1112774068 FNNCQYVVARXTKI-UHFFFAOYSA-N 318.381 -0.918 30 20 DBED C[C@H](NC(=O)Cn1cnnn1)[C@@H](C)Nc1ccc(C#N)cn1 1112906199 XRDCBAIJZKYTRL-ZJUUUORDSA-N 300.326 -0.055 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)Cc2ccc[nH]2)CC1 1113659781 FPCCJAIKVASCFJ-ZDUSSCGKSA-N 302.378 -0.161 30 20 DBED C[C@@H](CNC(=O)Cn1ncnn1)N(C)c1ccncc1C#N 1113723842 WYEQEODFTJNVSW-JTQLQIEISA-N 300.326 -0.419 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CCCNC1=O)N(C)c1ccnc(C#N)n1 1113744489 OXNMZONEVPMLGO-WDEREUQCSA-N 316.365 -0.185 30 20 DBED Cc1cccc(C(=O)N[C@H]2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]32)n1 1113871365 TWLOEWXMEFORCL-JYAVWHMHSA-N 313.361 -0.310 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)c3ncoc3C)[C@H]2C1 1113952745 JHXLMSUWVKPLLW-QWRGUYRKSA-N 304.350 -0.055 30 20 DBED C[C@H]1CCN(c2nccnc2C#N)C[C@@H]1NC(=O)CNC(N)=O 1113996854 BBAYMCROKZLMLJ-ONGXEEELSA-N 317.353 -0.652 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CN(c2ncccn2)CC[C@H]1C 1114011745 UZPTVLXWJASXNL-OLZOCXBDSA-N 315.377 -0.053 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H]1[C@@H]2CN(CCOCCOC)C[C@@H]21 1114270678 JEGHRBPXYGJPJV-KBXIAJHMSA-N 310.394 -0.266 30 20 DBED N#CCN1C[C@H]2C(NC(=O)CCNC(=O)[C@H]3CCCO3)[C@@H]2C1 1115350339 RKKFDTGZZVKJMB-IJLUTSLNSA-N 306.366 -0.758 30 20 DBED Cc1cc(=NC[C@@H](C2CC2)N(C)C(=O)C(N)=O)c(C#N)c[nH]1 1115566208 INAXXARIVRUAHZ-ZDUSSCGKSA-N 301.350 -0.182 30 20 DBED COCc1nn(Cc2cc(O)n3ncc(C#N)c3n2)c(=O)o1 1116483665 WYAGELLUTUKMOS-UHFFFAOYSA-N 302.250 -0.349 30 20 DBED COc1nccc(NC(=O)C(=O)N2CC[C@](O)(CC#N)C2)n1 1118140396 OMGOSVOZPRSVMB-CYBMUJFWSA-N 305.294 -0.699 30 20 DBED N#Cc1cnc(N[C@@H](CO)CNC(=O)C[C@@H]2CCCO2)cn1 1121100416 SXOHPKUBJUVOBR-NEPJUHHUSA-N 305.338 -0.194 30 20 DBED COCCc1nsc(N[C@@H](CO)CNC(=O)[C@H](C)C#N)n1 1121214163 XSXWRTRTLALMGU-RKDXNWHRSA-N 313.383 -0.224 30 20 DBED Cc1cc(CC(=O)NC[C@H](CO)N=c2cc[nH]cc2C#N)n[nH]1 1121287708 FWLKRQYKCFGIQB-CYBMUJFWSA-N 314.349 -0.462 30 20 DBED Cc1nc(N[C@@H](CO)CNC(=O)c2cn(C)nn2)ccc1C#N 1121433370 WWYPUWMIFFMALM-LLVKDONJSA-N 315.337 -0.407 30 20 DBED CCc1nc(C#N)cc(N[C@@H](CO)CNC(=O)CC(C)(C)O)n1 1121506860 ZIIGUDYWBZBDSP-LLVKDONJSA-N 321.381 -0.039 30 20 DBED N#Cc1cnc(N[C@H](CO)CNC(=O)c2ccc(O)nc2)cn1 1121550544 UFKCNDNXHLRCQD-NSHDSACASA-N 314.305 -0.348 30 20 DBED CCCN(C)CCC(=O)NC[C@H](CO)Nc1cnc(C#N)cn1 1121840363 RZQHVRMPADQYNR-CYBMUJFWSA-N 320.397 -0.031 30 20 DBED CCN(C)C(C)(C)C(=O)NC[C@@H](CO)N=c1cc[nH]cc1C#N 1122189386 FTRSQDIELTYRFW-ZDUSSCGKSA-N 319.409 -0.006 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)CCOC 1122417082 OCMBSIJTCIHDQH-SNVBAGLBSA-N 300.359 -0.871 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)Cn1cccn1 1123514874 IEFYHNUNSCOWKL-UHFFFAOYSA-N 306.370 -0.649 30 20 DBED C#CCNC(=O)CC(=O)N(C)C[C@@H](O)CNc1cc(C)ncn1 1124315175 RMOLVLFVAWLIBQ-LBPRGKRZSA-N 319.365 -0.844 30 20 DBED CC[C@H](C(=O)N(C)C[C@H](O)CNc1cnc(C#N)cn1)N(C)C 1124455984 RZSYQRIUKNZOOO-CHWSQXEVSA-N 320.397 -0.080 30 20 DBED C=CCCO[C@@H](C)C(=O)NCCNCC(=O)N1CCOCC1 1124488502 PHYIHSWKKIKCDG-ZDUSSCGKSA-N 313.398 -0.468 30 20 DBED CN(C[C@H](O)CN(C)c1ccnc(C#N)n1)C(=O)c1cocn1 1124989545 WPGMJUSNTTWYSS-SNVBAGLBSA-N 316.321 -0.094 30 20 DBED C#CCNC(=O)CC(=O)NCCNCc1coc(C2CC2)n1 1125999130 YGZJOZSJHZIKNG-UHFFFAOYSA-N 304.350 -0.103 30 20 DBED C#CCOCCC(=O)NCCNCC(=O)N(C)c1nccs1 1127024014 VNUWWVGCXSZLRM-UHFFFAOYSA-N 324.406 -0.148 30 20 DBED CC#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H](O)C(C)C)C1 1128966564 CAXKBUSYGBJYER-HZSPNIEDSA-N 305.382 -0.340 30 20 DBED C=CCCC(=O)N1C[C@H](n2ccnn2)[C@H](NC[C@H](O)COC)C1 1129666784 IISJNJFDTVBVMP-MJBXVCDLSA-N 323.397 -0.407 30 20 DBED C=CCCN[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1c1cncn1C 1130951414 IOAPQRXFCVBIRI-VXGBXAGGSA-N 305.382 -0.244 30 20 DBED CC#CCN1C[C@H]2C[C@@H]3CN(C(=O)CN(C)C(C)=O)C[C@@]3(C1)O2 1131195472 YJDZLKPWVVZVMQ-BFYDXBDKSA-N 319.405 -0.210 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2ncc[nH]2)CC[C@H]1C 1132005988 DUCCXBDNVJHWIW-NEPJUHHUSA-N 303.366 -0.258 30 20 DBED Cn1nnc(C(=O)NCCNCc2ccc(OCC#N)cc2)n1 1132523672 SWOUCVVVSNEURU-UHFFFAOYSA-N 315.337 -0.368 30 20 DBED C[C@@H]1CCN(C(=O)Cn2ncn(C)c2=O)C[C@@H]1CNCC#N 1132928663 SZGYNFDIUDEPBN-NEPJUHHUSA-N 306.370 -0.820 30 20 DBED C=CCCC1(C(=O)NCCNCCNS(C)(=O)=O)CC1 1133373879 JUITXEPLQVZNCS-UHFFFAOYSA-N 303.428 -0.012 30 20 DBED C[C@@H](C[C@H](C)NC(=O)Cn1cccn1)NCC(=O)NCC#N 1133674635 GRKVCEIVLBKFAM-RYUDHWBXSA-N 306.370 -0.604 30 20 DBED C#CCN[C@H](C)C[C@H](C)NC(=O)CN1CCCCS1(=O)=O 1135009137 SPGMRSMOIHVUNO-OLZOCXBDSA-N 315.439 -0.082 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)c1nc(C)c[nH]1 1135054272 ANBBGPYBZONAEK-UHFFFAOYSA-N 308.342 -0.951 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)c1[nH]nnc1C 1135161036 IYUDHKJPFJPOOY-VHSXEESVSA-N 306.370 -0.651 30 20 DBED C=CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)CC(=O)N(C)C 1135636488 VKHLZSWANTZWJM-VXGBXAGGSA-N 312.414 -0.360 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)[C@@H]1C[C@H]1C(C)C 1136062275 YGUIKJJJGOKOLC-NWDGAFQWSA-N 310.398 -0.004 30 20 DBED C#CCNC(=O)CC(=O)N1CC2(CCN(C[C@@H](C)OC)C2)C1 1147368817 NBHLEJDBFWAMEU-CYBMUJFWSA-N 307.394 -0.305 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@@H](C)NC(=O)CC(C)(C)C 1147377979 UWCUZRKSYVNSLR-GFCCVEGCSA-N 324.425 -0.618 30 20 DBED C=CCCN1CCCO[C@@H](CNC(=O)CN2CC(=O)NC2=O)C1 1150452599 GZGHIJUVCPGOPO-LBPRGKRZSA-N 324.381 -0.679 30 20 DBED C=C[C@H](C(=O)NCCNCC(=O)NC(N)=O)c1ccccc1 1151990484 HVSUAQMGMJGWIH-LBPRGKRZSA-N 304.350 -0.143 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)c1ccc(C)nn1 1153252710 HOXAPQZHZFKTEC-GFCCVEGCSA-N 318.381 -0.135 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)C[C@@H]1CCNC1=O 1153798742 BNIITWLWNHPPDI-OLZOCXBDSA-N 322.409 -0.911 30 20 DBED CCOc1cccnc1C(=O)NCCNCC(=O)NCC#N 1153916401 NIMNXWLQYIIRPO-UHFFFAOYSA-N 305.338 -0.561 30 20 DBED CN(CC#N)C[C@H]1CCCCN1C(=O)[C@H]1CC[C@@H](C(N)=O)O1 1158467635 JBLPELRMZGUELB-FRRDWIJNSA-N 308.382 -0.144 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)Cc1cncs1 1160472420 BHSHFFYWQIHPOX-NSHDSACASA-N 308.407 -0.081 30 20 DBED N#CCN1CC=C(CCNC(=O)CC[C@@H]2NC(=O)NC2=O)CC1 1161834907 XSFOOHNGYXEBMD-LBPRGKRZSA-N 319.365 -0.363 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@@H](C)[C@H]1CCC(=O)N1 1167077033 FXIZWHABDJOFNU-NWDGAFQWSA-N 310.398 -0.701 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)Cc1[nH]cnc1C 1174690072 AFOPXAIWKFVTBX-LBPRGKRZSA-N 305.382 -0.506 30 20 DBED COCC#CCN1CCO[C@@H]2CCN(C(=O)CNC(C)=O)C[C@H]21 1176892758 GVMNBFWLRMXOGO-HUUCEWRRSA-N 323.393 -0.926 30 20 DBED C=CCCN1CCO[C@H]2CCN(C(=O)CNC(=O)NC)C[C@@H]21 1177024528 ILOPBULETABVHH-STQMWFEESA-N 310.398 -0.207 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)CN(C)C(=O)C3CC3)C[C@H]21 1177029854 KJWQGBKYBRMCOH-HUUCEWRRSA-N 319.405 -0.210 30 20 DBED CC(=O)NC(C)(C)C(=O)N1CC[C@@H]2OCCN(CC#N)[C@H]2C1 1177106823 IHKDWXMXGGKJTE-STQMWFEESA-N 308.382 -0.274 30 20 DBED CCn1cc(C(=O)N2CC[C@H](NCC(=O)NCC#N)[C@@H]2C)cn1 1178366947 STSBDLJUKYYMFY-AAEUAGOBSA-N 318.381 -0.265 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2C)C1 1184944091 LSIFFKNOFNODND-XQQFMLRXSA-N 322.409 -0.512 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2cnsn2)C1 1189059426 PNCFBZXRFKZEIS-SNVBAGLBSA-N 307.379 -0.566 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@@H]1CCN(C(=O)CC2(O)CCC2)C1 1190015819 SSLZJMVLYDWSLF-UONOGXRCSA-N 321.421 -0.038 30 20 DBED C#CCC1(C(=O)N2CC[C@@H](N(C)CC(N)=O)C2)CCOCC1 1190585879 OEOIPVNKTCXWIQ-CYBMUJFWSA-N 307.394 -0.176 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CN(Cc2nnn(C(C)(C)C)n2)C[C@H]1O 1191873301 SZRAGMCAEHJURO-HBNTYKKESA-N 321.385 -0.751 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)[C@@]2(C)CCNC2=O)C1 1192327268 YSYYXFCPHZRANF-WBMJQRKESA-N 322.409 -0.653 30 20 DBED C#CCCN(C)[C@H]1CCN(C(=O)[C@@H](C)NS(C)(=O)=O)C1 1192551831 UFBRTXCXHKFMLR-NEPJUHHUSA-N 301.412 -0.520 30 20 DBED CN(CC#N)[C@H]1CCN(C(=O)C(C)(C)NS(C)(=O)=O)C1 1192750339 XZUZQJDJAZNVCC-JTQLQIEISA-N 302.400 -0.630 30 20 DBED CC(C)(C)C#CC(=O)N[C@@H]1CN(CCn2cncn2)C[C@H]1O 1192814121 WNFDWIQPVYEJHU-CHWSQXEVSA-N 305.382 -0.511 30 20 DBED C#CCNC(=O)[C@H](C)N1CCCN(C(=O)c2cc[nH]n2)CC1 1194904523 DDWSTBZKXCNSLO-LBPRGKRZSA-N 303.366 -0.305 30 20 DBED Cn1cnc(C(=O)N2CCCN(CC(=O)NCC#N)CC2)c1 1195481244 WIHWRINFGBWLJT-UHFFFAOYSA-N 304.354 -0.792 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCCN(Cc2nnn(C)n2)CC1 1195791873 LKFMEWKGUYRQRW-LBPRGKRZSA-N 306.370 -0.717 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)Cc2cscn2)C1 1196692230 ZLCSYGVNRRMZTM-CHWSQXEVSA-N 309.391 -0.503 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C[C@@H](C)C2CC2)C1 1199173036 SSGDIVQXNGBXBY-MRVWCRGKSA-N 307.394 -0.667 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)[C@@H]2CCCN2C)CC1 1199827551 ZEFMWEFSCYHPAC-AWEZNQCLSA-N 308.426 -0.037 30 20 DBED C#CCNC(=O)[C@H](C)NC1CCN(C(=O)[C@@]23COC[C@@H]2C3)CC1 1200668561 BDAGKJGEKPSOPF-DCGLDWPTSA-N 319.405 -0.259 30 20 DBED C#CCNC[C@@H]1CN(C(=O)c2cn3c(n2)COCC3)CCCO1 1200806940 TUQWYTMMZAKYMH-CYBMUJFWSA-N 318.377 -0.133 30 20 DBED COCC#CCN[C@@H]1CCCN(C(=O)CN2CCCC2=O)C1 1207250401 AEHKNDWKOAWVMW-CQSZACIVSA-N 307.394 -0.161 30 20 DBED C=CCOCCN1C[C@@H](NC(=O)CS(=O)(=O)NC)[C@H](C)C1 1211084206 PKQHVMUIFGNKSJ-VXGBXAGGSA-N 319.427 -0.825 30 20 DBED C=C(Cl)CN1C[C@@H](NC(=O)CS(=O)(=O)NC)[C@H](C)C1 1211084684 WNYZDEBNZMDNTD-PSASIEDQSA-N 309.819 -0.275 30 20 DBED COCC[C@H](C)C(=O)N1CCC[C@H](NCC(=O)NCC#N)C1 1211162200 ZKMNAISEKSCEOW-STQMWFEESA-N 310.398 -0.121 30 20 DBED C=CCN1C[C@@H](NC(=O)CCCN2C(=O)CCC2=O)[C@H](OC)C1 1212365689 GUPUTDYLPUFTQL-CHWSQXEVSA-N 323.393 -0.083 30 20 DBED C=CCCCN1C[C@@H](NC(=O)c2nnc(O)nc2O)[C@H](OC)C1 1213127628 XOIRUSPLLMDWBA-NXEZZACHSA-N 323.353 -0.322 30 20 DBED C=C(C)CN1C[C@@H](NC(=O)CS(=O)(=O)CC)[C@H](OC)C1 1213921564 DVPXXIRAORRGBS-VXGBXAGGSA-N 304.412 -0.187 30 20 DBED CC#CCN[C@@H]1CN(C(=O)CCc2nnc(O)nc2O)C[C@H]1C 1215044491 FFRFORPEGBKYGK-ZYHUDNBSSA-N 319.365 -0.325 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)/C=C\C2CC2)C1 1219419937 IXYIFYSLGITKHK-XVPFFRRHSA-N 307.394 -0.195 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)[C@H](OC)c2cnn(C)c2)C1 1220082345 QUQRAOGLVYVUEH-HZSPNIEDSA-N 308.382 -0.155 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)CNC(=O)c2ccc(F)cc2)C1 1220904382 GZCSDWMOVXMXMG-KGLIPLIRSA-N 319.336 -0.650 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2nncn2C)C[C@@H]1O 1221144011 ZVTAFGCVUNESAH-TUAOUCFPSA-N 309.370 -0.933 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@H]2CCN(CC(=O)NCC)C[C@H]21 1221541004 JJPXFYIURIBYAZ-BFHYXJOUSA-N 307.394 -0.307 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)c2ccnnc2)CC1 1224643225 DELIUJDINJUMNA-UHFFFAOYSA-N 315.377 -0.332 30 20 DBED CC(C)C#CC(=O)N(C)C[C@@H]1CCN1Cc1nc(=O)n(C)[nH]1 1234120919 XHYPNGKSNVGPDL-LBPRGKRZSA-N 305.382 -0.200 30 20 DBED C=CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCNC1=O 1235600847 HWKZCPXKJXNFHE-CHWSQXEVSA-N 322.409 -0.653 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N[C@@H](CO)C1CCOCC1 1256427225 GVPKCQOVPMCMGZ-LBPRGKRZSA-N 320.411 -0.326 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1C[C@@H](C)C[C@H]1C 1261180436 CXZGDYZIMIPGKO-WDEREUQCSA-N 302.396 -0.040 30 20 DBED CC(C)OC(=O)CCNC(=O)C(=O)Nc1cnn(CC#N)c1 1319959301 AXUUXHHKBMAKJZ-UHFFFAOYSA-N 307.310 -0.197 30 20 DBED C=CCNC(=O)CNC(=O)C(=O)Nc1c2c(nn1C)CCC2 1320107526 RBBDBOWDJWOTBC-UHFFFAOYSA-N 305.338 -0.734 30 20 DBED C=C[C@@H](COC)NC(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 1320312488 NFAWWFZQQWJEDC-QPKSUZNQSA-N 322.361 -0.144 30 20 DBED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(C(N)=O)c(C)c1 1323507598 USUXSZBPLWLQOH-UHFFFAOYSA-N 318.333 -0.549 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CCOC[C@H]1c1noc(C)n1 1323823474 PKRUQECPNWIRFK-MNOVXSKESA-N 324.337 -0.405 30 20 DBED CC(C)OC[C@H](CO)N(C)C(=O)C(=O)N1CC[C@](F)(C#N)C1 1325177170 POQHPXSWIGKDOO-FZMZJTMJSA-N 315.345 -0.305 30 20 DBED O=C(NCC#Cc1ccccc1)C(=O)NC[C@@H]1COCCO1 1325451442 YFFVTMCZURVJSN-CQSZACIVSA-N 302.330 -0.314 30 20 DBED C=C[C@@H](COC)NC(=O)NCCS(=O)(=O)N1CCOCC1 1325616968 YFNOHKJYYAYXAI-NSHDSACASA-N 321.399 -0.851 30 20 DBED C#CCCCCNC(=O)C(=O)N1C[C@@H](C(=O)OC)C[C@@H](O)C1 1329346348 GVXQMVKQMFYVKP-NWDGAFQWSA-N 310.350 -0.712 30 20 DBED CN(CC(C)(C)C#N)C(=O)C(=O)N1CCN([C@@H]2CCOC2)CC1 1347014313 HGUQWDUIRSHKDP-CYBMUJFWSA-N 322.409 -0.072 30 20 DBED O=S1(=O)CCN(c2nnnn2CC#Cc2ccccc2)CC1 1355711117 DKNRMVWIPZFMSH-UHFFFAOYSA-N 317.374 -0.040 30 20 DBED Cn1cnnc1[C@H]1CCCN1C(=O)NCCn1cnc(C#N)n1 1364275332 QLDQAWYISVNIJR-SNVBAGLBSA-N 315.341 -0.175 30 20 DBED N#Cc1ccc([C@@H](O)CN2C[C@@H](C(N)=O)[C@@H](C(N)=O)C2)cc1 1364470606 XLGIELDCPMEITI-XQQFMLRXSA-N 302.334 -0.890 30 20 DBED Cn1c(=O)[nH]c(N[C@H]2C[C@H]3CCCCN3C2=O)c(C#N)c1=O 1365227822 QVKNAFAVXGLHBM-SCZZXKLOSA-N 303.322 -0.489 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)c2ccn(C)c2)C1 1390421529 IKJBNYDVTAMSJE-ABAIWWIYSA-N 304.350 -0.122 30 20 DBED CCN(CCC#N)C(=O)CN[C@@H](C)CNC(=O)c1ccnn1C 1398905277 ZZYSCFBLNAZWKC-LBPRGKRZSA-N 320.397 -0.110 30 20 DBED COCC(=O)N(C)CC(=O)N[C@@H](C)C1CN(C(=O)[C@@H](C)C#N)C1 1404651360 HYWSUZZMEYKIBZ-QWRGUYRKSA-N 324.381 -0.786 30 20 DBED CO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1NC(=O)C1(CN(C)C)CC1 1406359761 LLRVTOUGFTZXDN-YNEHKIRRSA-N 322.409 -0.170 30 20 DBED CO[C@H](C)CC(=O)NC[C@H](O)CNC(=O)c1ccc(C#N)[nH]1 1410096323 QVLHKLQZOXZFJI-KOLCDFICSA-N 308.338 -0.482 30 20 DBED C[C@@H](CNC(=O)c1cnc2c(c1)nnn2C)NC(=O)[C@H](C)C#N 1410455659 XGXKGVKGSQGEAU-BDAKNGLRSA-N 315.337 -0.243 30 20 DBED C[C@@]1(NC(=O)Cn2cc(C#N)c(O)nc2=O)CCO[C@H]1C1CC1 1412016188 DNBANLFDPBOGQR-SWLSCSKDSA-N 318.333 -0.106 30 20 DBED CC(=O)N1CCC[C@@H](CNC(=O)NCCn2cnc(C#N)n2)C1 1413818236 VWHGVCGCNQJIRV-LBPRGKRZSA-N 319.369 -0.293 30 20 DBED Cn1cnc(C(=O)NC[C@@H](O)CNC(=O)c2cc(C#N)c[nH]2)c1 1416747926 CHTAOZHUDHIEPU-JTQLQIEISA-N 316.321 -0.859 30 20 DBED N#Cc1cccc(CC(=O)N2C[C@H](C(N)=O)[C@@H](C(N)=O)C2)c1 1418585619 GKCVEAJBDVMHNJ-RYUDHWBXSA-N 300.318 -0.854 30 20 DBED CCOC(=O)[C@@H]1CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)C1 1420322552 ABEGFSSEAGWVPQ-SECBINFHSA-N 320.305 -0.768 30 20 DBED Cn1c(=O)[nH]c(N[C@H](C(N)=O)c2ccc(F)cc2)c(C#N)c1=O 1421132343 QNTYPYBQJCFNGO-JTQLQIEISA-N 317.280 -0.277 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)Cn2cnnn2)CCCC1 1430765532 CXWJUBYATURWJG-SNVBAGLBSA-N 305.342 -0.622 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)C[C@H]2CCN(C)C2=O)CC1 1432292544 FTUAOYHHPFAHMG-GHMZBOCLSA-N 306.366 -0.221 30 20 DBED C[C@@H](C#N)C(=O)NC1CN(C(=O)c2ccc3nnc(O)n3c2)C1 1456396589 ORZMBOYBGGNTOZ-QMMMGPOBSA-N 314.305 -0.465 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(Cc2cn(C(C)(C)C)nn2)C1 1500806548 UNGIONMASFHERH-LLVKDONJSA-N 320.397 -0.144 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CN(C)C(=O)CCc1cncnc1 1511570841 RXHMGWIZOWNVQL-YPMHNXCESA-N 319.365 -0.496 30 20 DBED C#CCCS(=O)(=O)NC(=O)c1ccc(-c2nn[nH]n2)nc1 1588347656 SEYWRTMNHLLFGI-UHFFFAOYSA-N 306.307 -0.655 30 20 DBED C#C[C@@H](NC(=O)C(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)O)C1)[C@@H]1CCCO1 1588370634 JGVTURXKWBGGHW-XMQPUEPBSA-N 320.345 -0.347 30 20 DBED C=CCN1CCC(NC(=O)C(=O)N(C)C[C@@H](C)C(=O)O)CC1 1588464144 GVFJPPALYURNCI-LLVKDONJSA-N 311.382 -0.068 30 20 DBED C=CCn1c([C@H]2CNC(=O)C2)nnc1N1CCO[C@H](C(=O)O)C1 1588898021 QJZLDCRIRGRPOR-ZJUUUORDSA-N 321.337 -0.643 30 20 DBED C[C@H](OC(=O)CNS(=O)(=O)c1cccc(C#N)c1)C(=O)O 1589160044 ZVQJOSIGEPULIE-QMMMGPOBSA-N 312.303 -0.147 30 20 DBED Cc1[nH]nc(S(=O)(=O)N2CC[C@](O)(CC#N)C2)c1C(=O)O 1600670194 NZOKFHAYYBMQEX-LLVKDONJSA-N 314.323 -0.545 30 20 DBED Cn1c(=O)[nH]c(N2CCC3(CC2)C[C@@H]3C(=O)O)c(C#N)c1=O 1608076374 XFMRACWMCARZAV-SECBINFHSA-N 304.306 -0.364 30 20 DBED N#Cc1ccnc(C(=O)N2CCS(=O)(=O)C[C@@H]2CC(=O)O)c1 1608221720 ODVUVVBZHWAUNB-JTQLQIEISA-N 323.330 -0.333 30 20 DBED C#CC[C@H](NC(=O)Cn1nc2n(c1=O)CCCCC2)C(=O)O 1609078935 PLJAOXJJWVPUBS-JTQLQIEISA-N 306.322 -0.636 30 20 DBED Cn1cc(C#N)cc1C(=O)NCCn1cnc(-c2nn[nH]n2)n1 1609478125 AYZIAANORIACPL-UHFFFAOYSA-N 312.297 -0.902 30 20 DBED CC(C)(CC#N)CS(=O)(=O)N1CCNC(=O)[C@@H]1CC(=O)O 1609672845 RURZVYAZFSPWLW-VIFPVBQESA-N 317.367 -0.469 30 20 DBED C#CCNC(=O)CN(C)CCCNC(=O)[C@@]12CCCN(CC1)C2 1752105059 URSOYTRAUSMKNG-KRWDZBQOSA-N 320.437 -0.340 30 20 DBED C#CCOCCC(=O)N[C@H]1C[C@@H](N[C@@H]2CCC(=O)NC2=O)C1 1752731191 MKWOITBWCUYEKL-GRYCIOLGSA-N 307.350 -0.932 30 20 DBED C=CCNC(=O)CNC[C@@H]1CCN(C(=O)c2cnn(CC)n2)C1 1752933998 CNEWAOAEXYLIJT-LBPRGKRZSA-N 320.397 -0.348 30 20 DBED C#CCNC(=O)CN(C)CCNC(=O)[C@@H]1CC12CCOCC2 1753076572 NLHYNMMMINULRL-ZDUSSCGKSA-N 307.394 -0.400 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC(CNC(=O)[C@@H](OCC)C2CC2)C1 1753403080 MBTBTAVCUUQTCI-DOMZBBRYSA-N 321.421 -0.013 30 20 DBED C=CCn1cc(C(=O)NC[C@H](CC)N[C@H]2CCCNC2=O)nn1 1753487550 IDVYCAMBJMCFDQ-RYUDHWBXSA-N 320.397 -0.159 30 20 DBED N#CCNCC[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 1753558003 XEUIBWZWKJJXOK-QWRGUYRKSA-N 307.354 -0.674 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC[C@@H]1CNC(=O)CNC(=O)C1CC1 1754473116 GXENUZDJTDSWSY-DGCLKSJQSA-N 322.409 -0.606 30 20 DBED C#CCNC(=O)CNC1(CNC(=O)C[C@@H]2CCCC(=O)N2)CC1 1754520118 FKSXHPHXSIDKOV-LBPRGKRZSA-N 320.393 -0.967 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC(N(C)C(=O)CC2(O)CCC2)C1 1754575060 NEWPUMIHVWVOOF-GFCCVEGCSA-N 307.394 -0.428 30 20 DBED CC1(NC(=O)C2=COCCO2)CCN(CC(=O)NCC#N)CC1 1754623056 QBMDBXRQAPKIKZ-UHFFFAOYSA-N 322.365 -0.515 30 20 DBED C#CCNCCN(CCO)C(=O)c1ccc2nnn(C)c2c1 1754895962 JFXURGPDFDVAHN-UHFFFAOYSA-N 301.350 -0.374 30 20 DBED C=CCOCCN1CC2(C[C@H](NC(=O)[C@H]3CCC(=O)N3)CO2)C1 1755059868 VILQJRULMNZWTP-QWHCGFSZSA-N 323.393 -0.573 30 20 DBED COCC#CCN1C[C@H](NC(=O)[C@@H](C)CC(N)=O)C(C)(C)C1 1755409597 ABJFMYHTRQAMFQ-STQMWFEESA-N 309.410 -0.026 30 20 DBED C=CCN[C@H](C)[C@H]1CN(C(=O)c2cc(=O)n(C)cn2)CCO1 1755442847 XIWOIMSHWJLMCS-DGCLKSJQSA-N 306.366 -0.215 30 20 DBED CC#CCN[C@@H]1C[C@@H](C)N(C(=O)c2cn(C)c(=O)n(C)c2=O)C1 1755687094 SMGKYAPUGFXXNM-VXGBXAGGSA-N 318.377 -0.700 30 20 DBED CC#CCNC[C@H]1CC[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1 1755742171 QHNQFEVVRLQUKY-AAEUAGOBSA-N 305.378 -0.063 30 20 DBED C#CCNC[C@@H](O)CN(C)C(=O)c1cnn(-c2ccccn2)c1 1755789516 OMKIWVMDWXHULM-CQSZACIVSA-N 313.361 -0.077 30 20 DBED CC[C@@H](F)C(=O)N(C)C[C@H](O)CN(C)CC(=O)NCC#N 1755805405 WLAUWCZJSSGZIU-GHMZBOCLSA-N 302.350 -0.875 30 20 DBED C=CCOCC(=O)N(C)[C@@H](C)CNC(=O)c1cnc(O)n1C 1756054220 JDZBPYVJTIMHIR-JTQLQIEISA-N 310.354 -0.095 30 20 DBED C#CCCCC(=O)N[C@@H](CO)CNC(=O)C1CCC(O)CC1 1756515041 DMUXTDMINZCGRK-ROKHWSDSSA-N 310.394 -0.066 30 20 DBED C=CCOCC(=O)N1CC[C@@H](NC(=O)c2cccnc2)[C@H](O)C1 1757558513 DCWWMFSKEDGZBN-ZIAGYGMSSA-N 319.361 -0.024 30 20 DBED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(C)=O)[C@H]2C1 1786434004 QUPQLKHQMAUGHG-IHRRRGAJSA-N 306.362 -0.032 30 20 DBED CC[C@@H](C)[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC#N)C2 1793395970 GWUDTASNCMSYAV-AMVBZWJASA-N 323.393 -0.103 30 20 DBED C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc[nH]1 1794717527 YYZWPPJWOVJIGX-GUDRVLHUSA-N 324.406 -0.069 30 20 DBED C[C@@H](C#N)CN(C)CCn1cnc2c1c(=O)n(C)c(=O)n2C 66469732 UAGAIQKDKNIHGK-JTQLQIEISA-N 304.354 -0.475 30 20 DBED C/N=C(/NCCN1CCCS1(=O)=O)NC[C@H]1CCCO1 72750392 BXFBOHNNMSIPLM-LLVKDONJSA-N 304.416 -0.634 30 20 DBED CN(CCN1CCOCC1)CC(=O)N(CCC#N)CCC#N 74290255 FRWHEYDFXUYBNC-UHFFFAOYSA-N 307.398 -0.094 30 20 DBED C=CCn1nnn(CN2CCO[C@H](CNC(C)=O)C2)c1=S 172168478 LJMBTAAGGCMYKI-LLVKDONJSA-N 312.399 -0.211 30 20 DBED COC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(C#N)s1 230372043 NLLIXVGCQNSJGU-CBAPKCEASA-N 316.360 -0.083 30 20 DBED CN1C[C@@H](NC(=O)C(=O)N2CCc3ccc(C#N)cc32)CC1=O 270156981 HSBVTOOWJILAKX-LBPRGKRZSA-N 312.329 -0.206 30 20 DBED CN1CC[C@H](N(C)CCS(=O)(=O)c2ccc(C#N)cn2)C1=O 290350171 QBQNYGVRZBNLDE-LBPRGKRZSA-N 322.390 -0.111 30 20 DBED N#Cc1cc(F)c(S(=O)(=O)N[C@@H]2COC[C@H]2O)c(F)c1 295401596 SMPHYOXALNUNDS-NXEZZACHSA-N 304.274 -0.126 30 20 DBED C=CC/N=C(/O)CN1CCN(C(=O)CN2CCOCC2=O)CC1 329876054 HJYZNRQYYLDPRG-UHFFFAOYSA-N 324.381 -0.868 30 20 DBED CC(C)CN1CCO[C@H](C/N=C(/O)N2CCO[C@@H](CO)C2)C1 330242523 CFGPLWMXTDZUGL-ZIAGYGMSSA-N 315.414 -0.050 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@@H]1CN(C)CCN1C 330386645 MGXLZYLAGLGKFE-QWHCGFSZSA-N 317.459 -0.452 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N1CC[C@H](S(C)(=O)=O)C1 337037516 IJHIUEYHQIHNTC-ZJUUUORDSA-N 309.413 -0.558 30 20 DBED COC(=O)[C@H]1COCCN1S(=O)(=O)N(C)C[C@H](C)C#N 337081890 YWPXTZFZFZBYJS-NXEZZACHSA-N 305.356 -0.804 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@H]2C[C@H]2C(=O)OC)CC1 340007417 ZRUCWWKBXZBHEP-NWDGAFQWSA-N 309.366 -0.758 30 20 DBED N#CCNC(=O)CNC(=O)c1cccc(CNc2ccncn2)c1 343551823 VBGXWSCTTVTOIN-UHFFFAOYSA-N 324.344 0.458 30 20 DBED C[C@@H](C#N)NC(=O)c1ccc(S(=O)(=O)N(C)CCO)cc1 344532565 GBAAQUBBVVWGDF-JTQLQIEISA-N 311.363 -0.059 30 20 DBED C[C@@H](CN1CCN(C)CC1)NC(=O)CNc1ccc(C#N)cn1 345458393 ZEXOEQVJTIWVTP-ZDUSSCGKSA-N 316.409 0.117 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N(C)CCNC(=O)N(C)C 352329467 KSILRHNYEUPDLU-JTQLQIEISA-N 305.404 -0.474 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccccn2)C1=O 354131947 NUNIPXOQMPFNKI-UHFFFAOYSA-N 302.290 -0.325 30 20 DBED C[C@H]1CN(C(=O)NCC(=O)NCC#N)CCN1CC(F)(F)F 358273716 KMIDZPMHFJPPGW-VIFPVBQESA-N 321.303 -0.096 30 20 DBED Cn1c(N[C@@H]2CCN3CCC[C@H]3C2)c(C#N)c(=O)n(C)c1=O 363108757 XTWXABBTZITTHG-MNOVXSKESA-N 303.366 -0.006 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCn3nccc32)C1=O 375564995 MYNUUXUPWKTCHY-UHFFFAOYSA-N 303.278 -0.794 30 20 DBED COC(=O)C[C@@H]1COCCN1CC(=O)N(CCC#N)CCC#N 376525227 CKJGZFIPCVECJR-CYBMUJFWSA-N 322.365 -0.094 30 20 DBED CN(CC(=O)NCc1ccccc1)C(=O)Cn1cnc(C#N)n1 426862338 RFMHYDMAYWBDJZ-UHFFFAOYSA-N 312.333 -0.075 30 20 DBED CC1CCN(C[C@H](O)CNC[C@H](O)CN(C)CCC#N)CC1 583564858 IAOUWSDWVYNASX-JKSUJKDBSA-N 312.458 -0.125 30 20 DBED COCCN1C(=O)N[C@@H]2CN(c3nccnc3C#N)CC[C@@H]21 585785036 ANKUOSSIIKNHSQ-NEPJUHHUSA-N 302.338 -0.033 30 20 DBED N#CC[C@]1(O)CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 591990437 XIXXEHSHDRIRIK-LBPRGKRZSA-N 308.298 -0.149 30 20 DBED C=CCCn1cc(CN2CCNC(=O)[C@H]2CC(=O)OC)nn1 593937019 MPSOASAXRIDQOE-GFCCVEGCSA-N 307.354 -0.282 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N(CC(=O)O)C2CCC2)CCO1 593945808 XCLMVNMNQBEBQT-SNVBAGLBSA-N 303.340 -0.605 30 20 DBED N#Cc1ccc(NCC(=O)N2CC[C@H]3NC(=O)CC[C@H]3C2)nc1 598173055 RCDWQRGHNYOSBJ-QWHCGFSZSA-N 313.361 0.492 30 20 DBED N#Cc1ccccc1OC[C@H](O)CNCCN1CCNC(=O)C1 600736071 QGAODQBQQVNTPE-CQSZACIVSA-N 318.377 -0.681 30 20 DBED COC[C@@H](NC(=O)C(=O)N1CCN(CCC#N)CC1)C1CC1 602252948 XQWWLJSVJUPWJN-CYBMUJFWSA-N 308.382 -0.415 30 20 DBED Cc1oc(C)c(S(N)(=O)=O)c1C(=O)N1CCO[C@H](C#N)C1 609268212 GXRHMBWQUXLCTK-SECBINFHSA-N 313.335 -0.092 30 20 DBED CCN(CC(=O)NC(C)C)C(=O)CN1CCN(CCC#N)CC1 611174570 LTYMCHYNOVXKQM-UHFFFAOYSA-N 323.441 -0.109 30 20 DBED N#CCCCNC(=O)N[C@H]1CCN(CCN2CCOCC2)C1 612137021 ZGBKJEMUSSNKKH-AWEZNQCLSA-N 309.414 -0.004 30 20 DBED CC#CC[C@@H](CO)NC(=O)c1oc(S(N)(=O)=O)cc1C 616505135 HEVAMUVQJZCWCU-VIFPVBQESA-N 300.336 -0.260 30 20 DBED CS(=O)(=O)N1CCC(C(=O)N2CCO[C@H](C#N)C2)CC1 701336670 LNVHKRKQBJYVKN-LLVKDONJSA-N 301.368 -0.591 30 20 DBED CCO[C@@H]1C[C@@H]1C(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1 732909537 CEAREAOREKMCDF-GARJFASQSA-N 314.363 -0.623 30 20 DBED CC(C)(C#N)CS(=O)(=O)NC(=O)CCN1C(=O)CCC1=O 776146850 QLKKJKUFJCJVFB-UHFFFAOYSA-N 315.351 -0.479 30 20 DBED CC#CC[C@H](NS(=O)(=O)N(C)C1CCOCC1)C(=O)O 776587070 HUSFLMDYSRGNGU-NSHDSACASA-N 304.368 -0.202 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N1CCN(C)C(=O)[C@@H]1C 777626200 QKSZJIOTHVAUAC-JTQLQIEISA-N 303.384 -0.541 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC=CCC2)c1=O 778575844 CCIPVPJUSLKCKR-UHFFFAOYSA-N 304.350 -0.237 30 20 DBED C#CCOc1cccc(NC(=O)C(=O)NCc2nc(O)n[nH]2)c1 780085192 IOWXMJMVERMXPW-UHFFFAOYSA-N 315.289 -0.223 30 20 DBED C#CCOCCC(=O)O[C@H](C)C(=O)N[C@@H]1CCS(=O)(=O)C1 784365945 KBCJYHVJFNNJII-GHMZBOCLSA-N 317.363 -0.739 30 20 DBED C#CCOCCNS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C 784452421 XTGKZEQFBKYLJW-UHFFFAOYSA-N 323.374 -0.195 30 20 DBED N#CCOc1cc(F)ccc1NC(=O)C(=O)N1C[C@H](O)[C@H](O)C1 784911274 IXPIYQYVPCKBJU-PHIMTYICSA-N 323.280 -0.769 30 20 DBED N#CCNC(=O)CNS(=O)(=O)c1cc(C(=O)O)ccc1F 794837360 DDFTTXXCJAHIEW-UHFFFAOYSA-N 315.282 -0.558 30 20 DBED C#CCC[C@@H](O)CNS(=O)(=O)N(CCOC)CCOC 798488603 URONSVJYTDVZBF-GFCCVEGCSA-N 308.400 -0.810 30 20 DBED C=CCS(=O)(=O)CCNS(=O)(=O)CCN(CC)CC 810061205 ATLAFAHEGRHDSP-UHFFFAOYSA-N 312.457 -0.152 30 20 DBED N#Cc1ccc(N2CCN(CC(=O)NCC(=O)O)CC2)nc1 821336058 IVCXZLYPMXCPIF-UHFFFAOYSA-N 303.322 -0.724 30 20 DBED C=CCn1cc(CNC(=O)NCCS(=O)(=O)C2CC2)nn1 823693910 SVIRDBZWFHCQHS-UHFFFAOYSA-N 313.383 -0.160 30 20 DBED C=CC[C@@H]1CCCN(C(=O)C(=O)NCCS(C)(=O)=O)C1 827086819 DVSQQJJKDSJOEQ-LLVKDONJSA-N 302.396 -0.038 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N1CCOC[C@@H]1CC(=O)O 844793935 VLYKSCLFCRTXKZ-UWVGGRQHSA-N 305.356 -0.359 30 20 DBED C#CCn1ccc(CN(CC)C(=O)[C@@H]2CCS(=O)(=O)N2)n1 846044781 QEALUXXCHBKHAR-LBPRGKRZSA-N 310.379 -0.444 30 20 DBED C/N=C(/NCCN1CCOCC1)NCC1([S@](C)=O)CCC1 849026265 QQEFHFGTVCYIMX-NRFANRHFSA-N 316.471 -0.215 30 20 DBED C=CCNC(=O)COC(=O)c1oc(S(N)(=O)=O)cc1C 850252699 FUSMZPRIVUMJEF-UHFFFAOYSA-N 302.308 -0.306 30 20 DBED C#CC[C@@H](CCOC)NC(=O)NCCn1cc(C(=O)OC)nn1 858434792 PVSPFWUKGXXSPA-NSHDSACASA-N 323.353 -0.208 30 20 DBED C#CC[C@H](CCOC)NC(=O)CN(C)[C@H]1CCS(=O)(=O)C1 863783594 RVFCSZPZGWAIQH-OLZOCXBDSA-N 316.423 -0.350 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N1CCC2(C1)OCCO2 875597414 CYOAGZSCIPGJTL-LBPRGKRZSA-N 310.350 -0.494 30 20 DBED C=CCNC(=O)CNC(=O)NC[C@H]1CC2(CCNCC2)CO1 892767373 BGRJEVTZWZUYTF-GFCCVEGCSA-N 310.398 -0.254 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1CCOC[C@@H]1COC 922056958 BORGRCSGAQPQQH-LBPRGKRZSA-N 321.399 -0.560 30 20 DBED C=CCOC[C@H]1NC(=O)N(CCC(=O)N2CCN(C)CC2)C1=O 925274377 AVKCPAGOSISVFO-GFCCVEGCSA-N 324.381 -0.727 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)CC(N)=O)C1 936967380 XOLMYOKNBVFBFI-UPJWGTAASA-N 323.393 -0.098 30 20 DBED C#Cc1cncc(C(=O)N2CC[C@H](NC(=O)c3cnn[nH]3)C2)c1 938240619 JONHJEXCBOBRDU-LBPRGKRZSA-N 310.317 -0.175 30 20 DBED C[C@H]1CN(CC#N)CC[C@H]1NC(=O)c1cnc(O)n(C)c1=O 942552168 BXPOVLPFHNQIIW-GXSJLCMTSA-N 305.338 -0.550 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H]1CNC(=O)C1CC(=O)NC(=O)C1 944248053 CGUZADVNJZTSBT-GXSJLCMTSA-N 320.349 -0.694 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)CN1CCCC1=O)CCO2 949021079 FVFVNILMSBLUNY-UHFFFAOYSA-N 319.405 -0.065 30 20 DBED CC#CCN1C[C@@H](O)[C@H](CNC(=O)c2ccc3nn[nH]c3n2)C1 958121459 GYGRSCVLBOYYQT-ZWNOBZJWSA-N 314.349 -0.601 30 20 DBED C#CCCN1C[C@@H](O)[C@@H](CNC(=O)c2cnn3ncccc23)C1 958139192 KUNJQCMGNFUNGK-SWLSCSKDSA-N 313.361 -0.225 30 20 DBED C=CCCN1C[C@@H](O)[C@H](CNC(=O)c2coc(C(N)=O)c2)C1 958281837 QOULVJCZTWCVTG-VXGBXAGGSA-N 307.350 -0.023 30 20 DBED CC#CCN1C[C@@H](O)[C@@H](CNC(=O)c2c(O)nnc(C)c2C)C1 958313104 JNJWINILSUBJED-QWHCGFSZSA-N 318.377 -0.155 30 20 DBED CC#CCN1C[C@@H](O)[C@H](CNC(=O)c2cn(C(C)C)nn2)C1 958547233 GRDIMBCZZGITKA-TZMCWYRMSA-N 305.382 -0.095 30 20 DBED C=CCCN1C[C@H](O)[C@H](CNC(=O)c2cn(C)c(=O)nc2O)C1 958665916 DWDIIVPNRCDURT-PWSUYJOCSA-N 322.365 -0.916 30 20 DBED CCn1cc(C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2O)cn1 961945980 RLXLSPXOSHNQCQ-KGLIPLIRSA-N 316.361 -0.382 30 20 DBED C=CCN1CC[C@@H](C)[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C1 966520332 CPHVYTJGRKOZOW-OLZOCXBDSA-N 320.393 -0.440 30 20 DBED CC#CCN1CC[C@H](C)[C@H](NC(=O)c2nnc(O)nc2O)C1 967251800 BOFMVFANUOFMJL-VHSXEESVSA-N 305.338 -0.254 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H](CNC(=O)c2cnn(C)n2)C1 975378465 BQWLYRQOYVFJNM-MNOVXSKESA-N 304.354 -0.057 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]1CN(C)C(=O)C1CS(=O)(=O)C1 977758498 LXMZMWPEBPGWBW-ONGXEEELSA-N 313.379 -0.750 30 20 DBED CN(C[C@H]1CCN1C(=O)C#CC1CC1)C(=O)[C@@H]1CNC(=O)N1 978308252 SUZLAJJFQVOFET-NEPJUHHUSA-N 304.350 -0.860 30 20 DBED C[C@H](C#N)C(=O)N1CCCCC[C@H](NC(=O)Cn2cnnn2)C1 987129194 KDBJSVZFMPMPDB-NEPJUHHUSA-N 319.369 -0.280 30 20 DBED C=CCN[C@@H]1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)[C@H]1C 987187071 AFYZSTRCCMVMOX-NWDGAFQWSA-N 306.366 -0.308 30 20 DBED C#CCN[C@@H]1C[C@H](C)N(C(=O)CCn2cc[nH]c(=O)c2=O)C1 989561491 DZHJPKQGBCNMAV-NWDGAFQWSA-N 304.350 -0.861 30 20 DBED N#Cc1c[nH]c(C(=O)NC2CN(C(=O)C34CCN(CC3)C4)C2)c1 990700665 SQEJCXFBGZKEMX-UHFFFAOYSA-N 313.361 -0.077 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)c3ncn(C)n3)C[C@]2(C)C1 992878434 PLXYQCCLFJPNQP-RWSFTLGLSA-N 316.365 -0.105 30 20 DBED N#CCN1CC[C@@H](n2cc(CNC(=O)c3ccncn3)nn2)C1 1000031656 YUHWIALQEMYTOG-GFCCVEGCSA-N 312.337 -0.232 30 20 DBED C=CCn1cc(C(=O)N2CCC[C@@H](N[C@@H]3CCNC3=O)C2)nn1 1000401424 CYHBMKNPNVQONY-VXGBXAGGSA-N 318.381 -0.453 30 20 DBED C#CCCN1CCC(CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 1001829517 IIUGDUFEKOBVGQ-UONOGXRCSA-N 307.394 -0.129 30 20 DBED C#Cc1ccc(C(=O)N(C)C[C@H]2CCCN2C(=O)C(N)=O)cn1 1002913544 LEMFYHTVJAYZQJ-CYBMUJFWSA-N 314.345 -0.389 30 20 DBED C=CCCn1cc(C(=O)NC2CCN([C@@H](C)C(N)=O)CC2)nn1 1003765943 BMVVZKRCUAZDDN-NSHDSACASA-N 320.397 -0.078 30 20 DBED C[C@@H]1CCN(C(=O)C(N)=O)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 1004730517 FAOWOGFSVOAKIO-LDYMZIIASA-N 303.322 -0.662 30 20 DBED N#Cc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)C(N)=O)c[nH]1 1005657862 ZUTKACFABQYKSY-MXWKQRLJSA-N 301.306 -0.767 30 20 DBED N#Cc1ccc(CN2CC[C@@H](NC(=O)Cn3cnnn3)C2)cc1 1010106493 MANKKFWYUYYALP-CQSZACIVSA-N 311.349 -0.065 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H]2C(NC(=O)[C@H]3C[C@H]3C(N)=O)[C@@H]2C1 1013806977 JAIJWZVIKLROCW-LMLFDSFASA-N 305.378 -0.107 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@]2(NC(=O)c3nnn(C)n3)CCC[C@H]12 1014390178 AMHMAXSIPHUOIY-ISTVAULSSA-N 317.353 -0.377 30 20 DBED C#CCN[C@H]1C[C@H](NC(=O)c2cnc3c(c2)NC(=O)CO3)C1 1020356252 JGHBKGCNTGGIRM-XYPYZODXSA-N 300.318 -0.104 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCOC3)C[C@H]2O)[nH]1 1023429370 QVHNATSIVQIWDJ-ZWKOPEQDSA-N 318.333 -0.776 30 20 DBED C=CCCN1CC[C@@H](N(CC)C(=O)c2cn(CC(N)=O)nn2)C1 1034047692 AVFSMBPCSBJDME-GFCCVEGCSA-N 320.397 -0.124 30 20 DBED O=C1CC[C@@H](NC[C@H]2CCCN2C(=O)C#CC2CC2)C(=O)N1 1034934602 AMPMWPRZPHUJDC-CHWSQXEVSA-N 303.362 -0.214 30 20 DBED C#CCN1CCO[C@H](CNC(=O)c2cc(C(N)=O)cn2C)C1 1035434849 HCWRLHAJZCMEGI-GFCCVEGCSA-N 304.350 -0.812 30 20 DBED N#CCN1CCO[C@@H](CNC(=O)[C@@H]2CCc3nn[nH]c3C2)C1 1035574846 UMLZOVNFHSUVFK-MNOVXSKESA-N 304.354 -0.750 30 20 DBED CC#CCN1CCO[C@H](CNC(=O)[C@@H]2CCN(C(C)=O)C2)C1 1035593176 MNUQDMITDIHQIJ-HUUCEWRRSA-N 307.394 -0.305 30 20 DBED N#CCN1CC[C@@H]2CN(C(=O)CN3C(=O)CCC3=O)CC[C@@H]21 1036890679 WTSNCJFEUUEGBW-NEPJUHHUSA-N 304.350 -0.418 30 20 DBED N#Cc1cc(C(=O)NC[C@H]2CCN2CCN2CCNC2=O)c[nH]1 1038173790 CFLJRWJJBZBRSJ-CYBMUJFWSA-N 316.365 -0.284 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@@](O)(CNC(=O)[C@H]2CCNC2=O)C1 1040483006 WSHMNDZIPORLAE-MEDUHNTESA-N 323.393 -0.586 30 20 DBED C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1O 1041343175 WSODJBANVHNATL-LHMODEAPSA-N 317.349 -0.561 30 20 DBED Cc1cc(C(=O)NCC2(O)CN(C(=O)CSCC#N)C2)no1 1041365690 SSTAUNRLCKFDTE-UHFFFAOYSA-N 324.362 -0.457 30 20 DBED Cc1c(C(=O)NCC2(O)CN(C(=O)[C@@H](C)C#N)C2)cnn1C 1041479045 PHUSDGYOJHXNRV-VIFPVBQESA-N 305.338 -0.809 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)CCN2CCCC2=O)C1 1041963122 HDZNHMILXYYLJF-UHFFFAOYSA-N 323.393 -0.345 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)c2cncc(OC)n2)C1 1041963126 HJPMJRHHLFPEOM-UHFFFAOYSA-N 320.349 -0.246 30 20 DBED C=CCN1CC[C@H]2CCN(C(=O)CN3CCN(C)C(=O)C3)C[C@H]21 1042122913 PDLFOMOVNDQJNU-LSDHHAIUSA-N 320.437 -0.131 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NCC1(O)CN(C(=O)CC)C1 1043028418 MGOCNKUQXVNDAP-LBPRGKRZSA-N 311.382 -0.443 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@@H](C)CC)C1 1043650152 QLMJNDBMJBNONP-KBPBESRZSA-N 321.421 -0.180 30 20 DBED N#Cc1cccnc1N1C[C@H](O)[C@H](NC(=O)Cc2ccon2)C1 1043882633 CBGSMPRWJXOYTL-OLZOCXBDSA-N 313.317 -0.150 30 20 DBED Cn1nncc1C(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@@H]1O 1043923233 IMNHFUYAEFKKTL-MFKMUULPSA-N 313.321 -0.939 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)Cc2ncccc2F)C1 1045152626 NWNGLZMLQMIHRL-SNVBAGLBSA-N 320.324 -0.388 30 20 DBED C=C(C)CCC(=O)N1CC(O)(CNC(=O)Cc2ncc[nH]2)C1 1045281470 KAIMFZHXMKLFHA-UHFFFAOYSA-N 306.366 -0.002 30 20 DBED Cc1cncn1CC(=O)N1CC(O)(CNC(=O)[C@@H](C)C#N)C1 1045554808 JYLISNYPOUSELY-JTQLQIEISA-N 305.338 -0.959 30 20 DBED Cc1cncc(CC(=O)N2CC(O)(CNC(=O)[C@H](C)C#N)C2)c1 1045560781 ZSDYEOULFOTCHH-GFCCVEGCSA-N 316.361 -0.218 30 20 DBED Cn1nncc1C(=O)NC[C@H]1C[C@H](N=c2cc[nH]c(C#N)n2)C1 1046809506 XDWXTCPRWUIFQQ-MGCOHNPYSA-N 312.337 -0.481 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)[C@H]1CN(CC#CC)C[C@@H]1O 1047415297 RJYILCAETKRGBI-JYJNAYRXSA-N 303.406 -0.389 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C(N)=O)c[nH]2)C1 1047577015 XCQYLCATFSHZIP-STQMWFEESA-N 304.350 -0.746 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC(=O)N(C)C2)C1 1047640163 KRZSLQPXBHTUFC-RDBSUJKOSA-N 307.394 -0.618 30 20 DBED CC(C)C#CC(=O)N(C)[C@H]1CN(C(=O)c2ncc[nH]2)C[C@@H]1O 1048811212 QNJXVWKRHFGZQN-RYUDHWBXSA-N 304.350 -0.287 30 20 DBED CCN(C)CCC(=O)N(C)[C@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1O 1049542218 ILZUVHBBFUWINQ-AVGNSLFASA-N 310.398 -0.482 30 20 DBED Cn1cc(C(=O)N2CCC[C@H]3[C@H]2CCN3CC#N)c(O)nc1=O 1049883816 CJBCAKADBSVKHV-NWDGAFQWSA-N 317.349 -0.312 30 20 DBED C#CCCCC(=O)N1CC[C@@H]([C@@H](C)NC(=O)Cn2ncnn2)C1 1050587372 JWFWJQHWUUXNAO-CHWSQXEVSA-N 318.381 -0.170 30 20 DBED C=CCN1CCOC[C@@H]1CNC(=O)[C@@H]1CN(C(C)=O)CCO1 1051230878 MJSXJRBJXLCPDE-KBPBESRZSA-N 311.382 -0.763 30 20 DBED CN(C[C@@H]1CCCCN1C(=O)C(N)=O)c1ccnc(C#N)n1 1051345461 JNIXHKSEPHBHTD-JTQLQIEISA-N 302.338 -0.349 30 20 DBED COc1cncc(CNC[C@H]2CN(C(=O)[C@@H](C)C#N)CCO2)n1 1051495002 QESCCZXHNHZWKL-AAEUAGOBSA-N 319.365 -0.038 30 20 DBED Cn1nnc(C(=O)NCC2CC(N=c3cc[nH]cc3C#N)C2)n1 1052054234 DTFMTQWWQHVRDI-UHFFFAOYSA-N 312.337 -0.481 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)c1ccc(=O)n(C)n1)CCO2 1053525867 QLJZTNJUPRPPRS-UHFFFAOYSA-N 316.361 -0.670 30 20 DBED C=CCCN1CC2(C[C@H](NC(=O)CN3CCOCC3)CO2)C1 1053781591 MVWBNMHJBDHKKB-AWEZNQCLSA-N 309.410 -0.146 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)[C@@H]3CCn4ccnc4C3)CO2)C1 1053851976 DSBKAYQISKPLCJ-OLZOCXBDSA-N 315.377 -0.071 30 20 DBED CC(C)(C(=O)N[C@H]1COC2(C1)CN(CC#N)C2)N1CCOCC1 1053956482 HKCKWRVOWQXORF-CYBMUJFWSA-N 322.409 -0.420 30 20 DBED COCCn1cc(C(=O)N[C@H]2COC3(C2)CN(CC#N)C3)cn1 1053994539 HTAXBIRYHYNCPU-CYBMUJFWSA-N 319.365 -0.374 30 20 DBED N#CCN1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CNC(=O)N1 1054051354 ATCJMWWURQUPAX-UONOGXRCSA-N 313.361 -0.266 30 20 DBED CC(C)C#CC(=O)N1C[C@H]2CN(C(=O)[C@@H]3CCC(=O)N3)C[C@H]2C1 1055324945 KGOFFEWAUXMSKR-MJBXVCDLSA-N 317.389 -0.159 30 20 DBED C=CCCC(=O)N1CCC[C@@](CO)(NC(=O)CNC(C)=O)C1 1055719263 ZETRSKHVPZCMHM-OAHLLOKOSA-N 311.382 -0.442 30 20 DBED N#Cc1nccc(N2CCN(C(=O)[C@H]3CC[C@H]3C(N)=O)CC2)n1 1055974177 YNCNDQOYYGNAOF-MNOVXSKESA-N 314.349 -0.492 30 20 DBED Cc1ccc(C#N)c(N2CCN(C(=O)c3nnn(C)n3)CC2)n1 1055980056 QQJCYBUZPGRPGN-UHFFFAOYSA-N 312.337 -0.252 30 20 DBED C=CCOCC(=O)N1CCC[C@@](CO)(NC(=O)c2cnn[nH]2)C1 1056002160 LWNISZKTCDNMJU-CQSZACIVSA-N 323.353 -0.909 30 20 DBED C[C@H](C#N)C(=O)N[C@@]1(CO)CCCN(C(=O)c2cc[nH]n2)C1 1056092919 FNGNRCCILQKUOW-YGRLFVJLSA-N 305.338 -0.347 30 20 DBED Cc1c[nH]c(C(=O)N2CCC[C@@](CO)(NC(=O)[C@@H](C)C#N)C2)n1 1056097946 XOLQSINHEWYCFK-ZUZCIYMTSA-N 319.365 -0.039 30 20 DBED N#Cc1nccnc1N1C[C@@H]2C(NC(=O)Cn3cccn3)[C@H]2C1 1056140516 IBKYRZBWMPFKAV-QWRGUYRKSA-N 309.333 -0.204 30 20 DBED N#Cc1ccc(N2C[C@H]3[C@H](NC(=O)[C@H]4COC(=O)N4)[C@H]3C2)nc1 1056193952 JAFNPHDWHHDAIX-XZUYRWCXSA-N 313.317 -0.388 30 20 DBED CN(c1ccnc(C#N)n1)[C@H]1CCN(C(=O)CS(C)(=O)=O)C1 1056855945 UXLXJFRBRIGLDQ-JTQLQIEISA-N 323.378 -0.570 30 20 DBED COc1cc(C(=O)N(CCO)CCNC(=O)[C@H](C)C#N)on1 1057398286 RVNYHASXORXLQA-SECBINFHSA-N 310.310 -0.606 30 20 DBED C=C[C@H](C)[C@H](C)C(=O)NCCN(CCO)C(=O)c1cnn[nH]1 1058060303 TWAQBXHKEWYLHJ-QWRGUYRKSA-N 309.370 -0.186 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)[C@H]1CCCC(=O)N1C 1058363435 DNKNUUJJOJSVGU-VXGBXAGGSA-N 324.381 -0.906 30 20 DBED C=CCOCC(=O)NC[C@H]1COCCN1C(=O)CCOC 1061422681 AFXDLUKYBQUSCR-LBPRGKRZSA-N 300.355 -0.431 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1COCCN1C(=O)Cc1cnoc1 1061573064 KLAAAVKYDWNJCU-CQSZACIVSA-N 317.345 -0.026 30 20 DBED N#Cc1nccc(N2CC[C@H](CNC(=O)[C@@H]3COC(=O)N3)C2)n1 1061593118 UZOGKARWQDFXGN-ZJUUUORDSA-N 316.321 -0.601 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)CCCCC(N)=O 1061849019 YDVGIFXYEWMKRD-NEPJUHHUSA-N 324.381 -0.465 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)C2=COCCO2)CCO1 1064801394 QOVOESAAQNBABV-CYBMUJFWSA-N 322.361 -0.122 30 20 DBED C=CCOCC(=O)N1CCO[C@@H](CNC(=O)C2=CCOCC2)C1 1064970034 JHJFKLFSQKEHTF-AWEZNQCLSA-N 324.377 -0.121 30 20 DBED C=C(C)CCC(=O)NC[C@H]1CN(C(=O)[C@H]2CNC(=O)N2)CCO1 1065540739 VCQSMHUFVIKRCP-NWDGAFQWSA-N 324.381 -0.632 30 20 DBED N#Cc1cnccc1N1C[C@H](CNC(=O)c2cc[nH]n2)[C@@H](O)C1 1067650827 CSQVAHBNLKHUNC-FZMZJTMJSA-N 312.333 -0.097 30 20 DBED C=CCCC(=O)N1CCOC2(C1)CN(C(=O)[C@H](C)NC(N)=O)C2 1068346408 OLNVOTRFXUICKL-NSHDSACASA-N 324.381 -0.551 30 20 DBED CCNC(=O)CC(=O)N1CC2(C1)CN(C(=O)[C@@H](C)C#N)CCO2 1068451256 JMQXWBCKRDWNQU-NSHDSACASA-N 322.365 -0.888 30 20 DBED C[C@@H]1[C@H](Nc2ccc(C#N)nn2)CCN1C(=O)CS(C)(=O)=O 1068775327 WCBOHLPMCDJIMB-MWLCHTKSSA-N 323.378 -0.206 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1COC2(C1)CN(C(=O)c1ncn(C)n1)C2 1069003480 NCWLGWBJFDOHST-ZJUUUORDSA-N 318.337 -0.926 30 20 DBED C#CCOCCC(=O)NC1(CC)CCN(C(=O)CC(N)=O)CC1 1069265188 HJMKFENXNWFLJN-UHFFFAOYSA-N 323.393 -0.211 30 20 DBED N#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@]2(F)CCOC2)C1 1070006196 JGDCLNUKXZVRJN-MDZLAQPJSA-N 308.317 -0.728 30 20 DBED CCn1cnc(C(=O)N2C[C@H](n3ccnn3)[C@H](NCC#N)C2)c1 1070312229 FLPBGUWGILOPJF-YPMHNXCESA-N 314.353 -0.327 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)CO[C@H]4CCOC4)C[C@@]3(C1)O2 1070800250 WQCUGWHWYLVDHP-JYYAWHABSA-N 320.389 -0.273 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)c2ccnc(O)c2)CC1 1070954094 MTTFLODTRGUAPW-UHFFFAOYSA-N 316.361 -0.316 30 20 DBED C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1NC(=O)CNC(N)=O 1071918162 KXQNDUIRDGDMQX-LDYMZIIASA-N 318.337 -0.869 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(C(=O)CCCF)C[C@@H]1C 1072537989 RWVWVZSOIBMVGT-NWDGAFQWSA-N 311.357 -0.161 30 20 DBED C[C@@H](C#N)C(=O)NC1(C)CCN(C(=O)Cn2cnnn2)CC1 1072863301 MUORGXIASYPLMJ-JTQLQIEISA-N 305.342 -0.670 30 20 DBED C=C(C)CCN1CCCO[C@H](CNC(=O)c2nnn(C)n2)C1 1073734234 PZJHJVNODASBDX-GFCCVEGCSA-N 308.386 -0.003 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(C(=O)CNC(N)=O)C[C@@H]1C 1073817127 JZRXPWAMNHQRGB-QWRGUYRKSA-N 312.370 -0.790 30 20 DBED CC#CCN1CCO[C@@H]2CCN(C(=O)c3cc(=O)n(C)o3)C[C@@H]21 1074219437 PKJWYJGUNSUYPK-QWHCGFSZSA-N 319.361 -0.083 30 20 DBED Cn1cc(C(=O)N2CC[C@@H]3OCCN(CC#N)[C@H]3C2)ncc1=O 1074302121 LLPNBAFUKBYYFZ-STQMWFEESA-N 317.349 -0.781 30 20 DBED C=CCOCC(=O)N1CC[C@H](NC(=O)Cn2cnnn2)C[C@H]1C 1074807748 IVMATPANYIZQQI-NEPJUHHUSA-N 322.369 -0.629 30 20 DBED C=C[C@](C)(O)CC(=O)NCC[C@H](C)NC(=O)[C@H](C)NC(N)=O 1076300432 JTAFXKMGNWBMML-BHDSKKPTSA-N 314.386 -0.619 30 20 DBED C[C@@H](CCNC(=O)[C@@H]1COC(=O)N1)NC(=O)c1c[nH]c(C#N)c1 1076344203 GFJDZYIIISJVIB-KWQFWETISA-N 319.321 -0.381 30 20 DBED C[C@@H](CCNC(=O)c1ccc2nnnn2c1)NC(=O)[C@@H](C)C#N 1077359627 STEQFJGUAJCPMH-UWVGGRQHSA-N 315.337 -0.091 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(N(CC)C(=O)Cn2cccn2)C1 1079305880 SBDMAQTWTMDMSU-CYBMUJFWSA-N 318.377 -0.019 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)[C@@H](C)CC(N)=O)C1 1080217842 NOGGTDPUOXEZDN-RYUDHWBXSA-N 323.393 -0.405 30 20 DBED COCC1(C(=O)N2C[C@H](O)[C@H](CNC(=O)C#CC3CC3)C2)CC1 1081473386 GDWLQYVHEUUFBF-KGLIPLIRSA-N 320.389 -0.238 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2csnn2)C1 1081624035 SKJBCYHYUZBZHL-ZYHUDNBSSA-N 322.390 -0.253 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H]2CN(Cc3nccn3C)C[C@@H]21 1083025848 DUIXESSGNFZUFE-RWMBFGLXSA-N 303.366 -0.009 30 20 DBED C=CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)C1CC(=O)NC(=O)C1 1083223181 IWDTXPXXKFZXGX-NWDGAFQWSA-N 307.350 -0.863 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)Cc2cnn3c2CCCC3)C1 1083541246 WINLOMOFFYGBCA-HIFRSBDPSA-N 302.378 -0.444 30 20 DBED CC(C)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CN(CC#N)C[C@@H]1O 1084070480 PBGMSZOUTMDILZ-AGIUHOORSA-N 308.382 -0.682 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)Cc2ccc(C(N)=O)cc2)C1 1084106156 LXSPKYSTVMJBBT-KGLIPLIRSA-N 303.362 -0.325 30 20 DBED CCNC(=O)CC(=O)N[C@H](C)C[C@H](C)N=c1cc[nH]c(C#N)n1 1089281495 UBNMSFAYBSKRSX-WDEREUQCSA-N 318.381 -0.008 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(c2nc(C)cc(C#N)n2)C[C@H]1O 1090392682 YTTDIFDVMNGKLT-CHWSQXEVSA-N 317.349 -0.475 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)c2nc3ncccn3n2)[C@@H](O)C1 1090657830 IHEDBLGGOXGSTD-NEPJUHHUSA-N 316.365 -0.135 30 20 DBED CC(=O)Nc1cc(C(=O)N[C@@H]2CCN(CC#N)C[C@@H]2O)ccn1 1090658443 YOKYTVZDPGVUJF-OLZOCXBDSA-N 317.349 -0.271 30 20 DBED C[C@H](NC(N)=O)C(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1C 1090699516 LTYAINYWTGIBSB-GBIKHYSHSA-N 316.365 -0.049 30 20 DBED Cc1nc2nccc(C(=O)N[C@H]3CCN(CC#N)C[C@H]3O)n2n1 1090724438 JIDSBWRKCSCPOR-CMPLNLGQSA-N 315.337 -0.879 30 20 DBED C=CCCN1CC[C@H](NC(=O)c2ccc(=O)n(C)n2)[C@H](O)C1 1090789814 IXIKAKWOCUGERA-WCQYABFASA-N 306.366 -0.479 30 20 DBED C#CCN1CC[C@@H](NC(=O)Cn2c(C)c(C)sc2=O)[C@H](O)C1 1090829702 DWWCOUIEBRREEN-CHWSQXEVSA-N 323.418 -0.289 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CN(c2cc(F)ncn2)C[C@@H]1O 1091116810 AISPPQJNLWLCOW-AXFHLTTASA-N 310.329 -0.128 30 20 DBED C=CCCn1cc(C(=O)NCC2CC(N[C@H](C)C(N)=O)C2)nn1 1091273916 CPOOBYJFJXEAHB-VOMCLLRMSA-N 320.397 -0.174 30 20 DBED CN(CCOCCN(C)c1ccnc(C#N)n1)C(=O)CC(N)=O 1091884544 VHJFXAPRRACBEC-UHFFFAOYSA-N 320.353 -0.865 30 20 DBED C[C@@]12CN(CC#N)C[C@@H]1CN(C(=O)C[C@H]1CC(=O)NC1=O)C2 1092330265 HQGYCZIZWJEKFG-HFAKWTLXSA-N 304.350 -0.657 30 20 DBED CN(C)C(=O)CC(=O)N[C@H]1[C@@H]2CN(c3cnc(C#N)cn3)C[C@@H]21 1093354677 AZKUSVZBFJMUGW-HBYGRHMLSA-N 314.349 -0.623 30 20 DBED Cc1ccnc2nc(C(=O)NCCN=c3cc[nH]cc3C#N)nn12 1093611184 IETBPWLZSAQZGK-UHFFFAOYSA-N 322.332 -0.037 30 20 DBED N#Cc1nc(=NCCNC(=O)COC[C@H]2CCCO2)cc[nH]1 1093710677 LHFHAOCRMLHNIU-LLVKDONJSA-N 305.338 -0.506 30 20 DBED Cc1cc(=O)c(C(=O)NCCN=c2cc[nH]c(C#N)n2)cn1C 1093935708 HGPVOCKKNQJUPN-UHFFFAOYSA-N 312.333 -0.381 30 20 DBED C[C@@]1(C(=O)NCCNc2nccnc2C#N)CCC(=O)NC1 1094059640 OPSSYPBHXLUTSW-CQSZACIVSA-N 302.338 -0.207 30 20 DBED CC[C@@H](OC)C(=O)N1CCN(CC#N)[C@H]2CS(=O)(=O)C[C@H]21 1094614898 UQUJZOPNXKJFPL-QJPTWQEYSA-N 315.395 -0.755 30 20 DBED C=C(C)CN1CC(N2C[C@H](NC(=O)[C@H]3COCCO3)CC2=O)C1 1094709557 LLMGRKVBOARPLQ-TZMCWYRMSA-N 323.393 -0.621 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)[C@H]3OCC[C@H]3CC)CC2=O)C1 1094746121 RKJMIHQFIFFPIN-WWGRRREGSA-N 319.405 -0.164 30 20 DBED N#Cc1ccc(NCCCNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)nn1 1094781466 ZEMQQDSUQLKADP-WDEREUQCSA-N 318.337 -0.701 30 20 DBED CN(c1ncc(C#N)cc1F)[C@H]1CCN(C(=O)CNC(N)=O)C1 1095091043 BJBHCSYIWKHWLC-JTQLQIEISA-N 320.328 -0.202 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H](CNC(=O)Cn1cnnn1)C1CC1 1096568261 VTHILQDWPOFAFH-ZDUSSCGKSA-N 312.337 -0.631 30 20 DBED CCN1CCO[C@@H](C(=O)NC[C@@H](C)N=c2cc[nH]c(C#N)n2)C1 1097876128 ZNPKYVWGHYZPLC-VXGBXAGGSA-N 318.381 -0.593 30 20 DBED CCc1nc(C#N)cc(N[C@@H](C)CNC(=O)[C@H]2C[C@H]2C(N)=O)n1 1098270669 NLFWFJIDTPGSFN-GDPRMGEGSA-N 316.365 -0.051 30 20 DBED N#CCNCc1cn([C@@H]2CCN(C(=O)c3cncnc3)C2)nn1 1098658897 KBEYMHDKZPGTSU-CYBMUJFWSA-N 312.337 -0.232 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)C2(C)CC(=C)C2)[C@@H](O)C1 1099994219 MTLGWSCJKCIASS-KBPBESRZSA-N 319.405 -0.357 30 20 DBED Cc1cc(C#N)nc(N(C)CCNC(=O)[C@H]2COCCN2C)n1 1100028547 XSSKIPHNXRSINY-CYBMUJFWSA-N 318.381 -0.460 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)Cc2[nH]cnc2C)[C@@H](O)C1 1100087463 MBKPKTYRSUYCOI-HIFRSBDPSA-N 320.393 -0.538 30 20 DBED CN(CCNC(=O)[C@@H]1CCS(=O)(=O)N1)c1ccc(C#N)nc1 1100120543 DPYSJFZAAUWWRD-LBPRGKRZSA-N 323.378 -0.803 30 20 DBED CCN(CCNC(=O)CSCC#N)c1ccc2nnnn2n1 1100450035 IRTBFXLVSHSADP-UHFFFAOYSA-N 320.382 -0.281 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN([C@H]2CCCNC2=O)C[C@H]1C 1101962137 WTDQWBYBTWJMFL-KFWWJZLASA-N 321.421 -0.011 30 20 DBED COCC(=O)N[C@@H](C)C(=O)N(C)CCNc1ccc(C#N)nc1 1102008350 NUOGLKMAAXDFTL-NSHDSACASA-N 319.365 -0.025 30 20 DBED CO[C@H](C)C(=O)NC[C@H]1CN(c2cncc(C#N)n2)CCO1 1104295340 VARABHQMXVKNRX-PWSUYJOCSA-N 305.338 -0.295 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(c2nccnc2C#N)CCO1 1104298570 SDSTWVPPWPAMFF-GFCCVEGCSA-N 317.349 -0.128 30 20 DBED C#CCNCC[C@@H]1CN(C(=O)C[C@@H]2NC(=O)NC2=O)C[C@H]1C 1104304593 RKVQIQWNCZRSQE-UTUOFQBUSA-N 306.366 -0.708 30 20 DBED C[C@@]1(C(=O)N2CC(n3cc(CNCC#N)nn3)C2)CCOC1 1105348991 ADWNLTQGEQHFNT-CQSZACIVSA-N 304.354 -0.299 30 20 DBED C#CCNC(=O)CC(=O)N(C)CCN(C)c1ccnc(C#N)n1 1105369233 UNAIRPVFYGYOFX-UHFFFAOYSA-N 314.349 -0.618 30 20 DBED Cc1cc(C#N)nc(NC[C@H](O)CNC(=O)c2ccon2)n1 1105725077 DRCYBYNBHKNPPP-SNVBAGLBSA-N 302.294 -0.153 30 20 DBED CCCC(=O)NCC(=O)NC[C@H](O)CNc1cncc(C#N)n1 1105726388 BKXMUDIAMSHNFO-LLVKDONJSA-N 320.353 -0.846 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)CC2OCCCO2)nn1 1105810348 RERMXXAVDIWRIO-LLVKDONJSA-N 321.337 -0.610 30 20 DBED CCO[C@H](C)C(=O)N1C[C@@H](C)[C@H](CNCC(=O)NCC#N)C1 1105854824 BJIDAGORTDJDKD-JHJVBQTASA-N 310.398 -0.265 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)CCCCC(N)=O)cn1 1105957555 HWZBBVWMNLHZTR-ZDUSSCGKSA-N 319.365 -0.112 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)[C@@H](OC)C2CC2)C[C@H]1C 1106071319 BZEXPFCDWJKMRV-XPKDYRNWSA-N 321.421 -0.155 30 20 DBED Cc1cc(=NCC[C@@H](C)NC(=O)Cn2ncnn2)c(C#N)c[nH]1 1106454469 LQAJZSUCEZYUHZ-SNVBAGLBSA-N 314.353 -0.323 30 20 DBED C=CCCOCC(=O)N1C[C@@H](C)[C@H](CNCc2nnn(C)n2)C1 1107058830 CAVVKTIJJPDWHT-CHWSQXEVSA-N 322.413 -0.013 30 20 DBED C[C@H](CC(N)=O)C(=O)NC/C=C\CNc1nccnc1C#N 1107453024 WIDOUSSEWUMCGY-MXQLGCADSA-N 302.338 -0.056 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)[C@@H]1CCCS1(=O)=O 1107773294 OVWGCRZDUHUOLZ-ZJUUUORDSA-N 323.378 -0.736 30 20 DBED COCC#CCN1CCO[C@@](C)(CNC(=O)[C@H]2CCC(=O)N2)C1 1107815171 NJOKZIIAFNBBLL-CJNGLKHVSA-N 323.393 -0.878 30 20 DBED C#Cc1cncc(C(=O)NC[C@@]2(C)CN(CC(N)=O)CCO2)c1 1108203165 XGZPFKRBLBYZCM-INIZCTEOSA-N 316.361 -0.631 30 20 DBED Cc1cc(=NC[C@H](C)NC(=O)[C@H](C)NC(N)=O)c(C#N)c[nH]1 1108322787 BTYHJMYUAYXREU-UWVGGRQHSA-N 304.354 -0.343 30 20 DBED Cc1nc(CC(=O)N[C@@H](C)CNc2nccnc2C#N)n[nH]1 1108357473 PFJYBGGDXLBCFO-QMMMGPOBSA-N 300.326 -0.066 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CC(=O)N(C2CN(CCF)C2)C1 1108594780 ZWZUOJBEWXXGNI-VXGBXAGGSA-N 313.373 -0.052 30 20 DBED C[C@@H](CN(C)c1nccnc1C#N)NC(=O)[C@@H]1CN(C)CCO1 1108906127 XJZTYRVUKZICGE-AAEUAGOBSA-N 318.381 -0.380 30 20 DBED CNC(=O)NCCC(=O)N(C)CCCNc1cnc(C#N)cn1 1109438498 YBIPSYKFDPLSFA-UHFFFAOYSA-N 319.369 -0.072 30 20 DBED C[C@]1(NC(=O)Cn2cnnn2)CCN(c2cnc(C#N)cn2)C1 1110710929 PBPJEJQKJPEJRA-ZDUSSCGKSA-N 313.325 -0.880 30 20 DBED CN1CCC[C@H]1C(=O)N(CCO)CCN=c1cc[nH]c(C#N)n1 1111429679 VYLCUXZIBVWHNR-LBPRGKRZSA-N 318.381 -0.903 30 20 DBED C#CCNC(=O)CC(=O)N1CCN(CC(=O)NCC(C)C)CC1 1112777747 KZQRNTDQOHWDOB-UHFFFAOYSA-N 322.409 -0.958 30 20 DBED CC(C)C#CC(=O)N1CCN(C[C@H](O)CN2CCCC2=O)CC1 1112833101 GWHWDXHSVUNRGT-HNNXBMFYSA-N 321.421 -0.227 30 20 DBED C[C@@H](CNC(=O)Cn1cncn1)N(C)c1cnc(C#N)cn1 1113609606 OTKLCBHNRVDIPU-JTQLQIEISA-N 300.326 -0.419 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)CN3CCCC3=O)[C@@H]2C1 1113833372 CACHWIVIHAMMEO-CHWSQXEVSA-N 305.378 -0.695 30 20 DBED C[C@H](C#N)C(=O)NC1[C@@H]2CN(CC(=O)NC(=O)NC3CC3)C[C@@H]12 1114066525 DKMZLLDZYWOIIG-FBIMIBRVSA-N 319.365 -0.819 30 20 DBED N#Cc1nc(=NCC2(NC(=O)CC(N)=O)CCCCC2)cc[nH]1 1114156416 TVEPYOPAOCLNLW-UHFFFAOYSA-N 316.365 -0.123 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)c3cn(C)nn3)[C@H]2C1 1114218032 ZUMBEACZXSGXPD-DCQANWLSSA-N 318.381 -0.834 30 20 DBED CC#CCN1C[C@@H]2C(NC(=O)[C@@H](NC(=O)COC)C(C)C)[C@H]2C1 1114939781 OPMCUCCQUPULFT-YDHLFZDLSA-N 321.421 -0.157 30 20 DBED C=CCCOCC(=O)NC1[C@H]2CN(CCN3CCNC3=O)C[C@H]12 1115330424 MJLKZRUDLKALEM-STQMWFEESA-N 322.409 -0.349 30 20 DBED C[C@H](CN(C)C(=O)c1cnn(C)n1)N=c1cc[nH]c(C#N)n1 1115774078 SPTBFVYGQFNHHG-SECBINFHSA-N 300.326 -0.529 30 20 DBED C=CC[C@@H](NC(=O)CCCN1C(=O)CNC1=O)C(=O)OCC 1116587570 SGWKWXWUYOMSJC-SNVBAGLBSA-N 311.338 -0.058 30 20 DBED COC[C@H]1CCCN(C(=O)C(=O)NC2CCN(CC#N)CC2)C1 1117281622 RAAUMXRPPMZZMY-ZDUSSCGKSA-N 322.409 -0.024 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)NCC1(CS(C)(=O)=O)CC1 1117536841 JYERCXZGSNGZHB-SNVBAGLBSA-N 318.395 -0.755 30 20 DBED C=CCn1cc(CNC(=O)N2CC[C@@H]3OCC(=O)N[C@H]3C2)nn1 1118169132 UQQCZGRIXUELGV-RYUDHWBXSA-N 320.353 -0.737 30 20 DBED C#Cc1cncc(C(=O)N(CCN2CCOCC2)CC(=O)O)c1 1119650062 JTGIBZYTVBMCPM-UHFFFAOYSA-N 317.345 -0.078 30 20 DBED C[C@@H](CN(C)C(=O)Cc1nc[nH]n1)N=c1cc[nH]c(C#N)n1 1120067036 BDHAHUFRLJRYQQ-VIFPVBQESA-N 300.326 -0.610 30 20 DBED C[C@@H](CN(C)C(=O)Cc1nc[nH]n1)Nc1nccnc1C#N 1120067863 NRQMYZAOTMHTMA-VIFPVBQESA-N 300.326 -0.032 30 20 DBED Cn1oc(C(=O)NC[C@H](CO)Nc2ncccc2C#N)cc1=O 1121364942 HRPGIJAVHSCNQM-SNVBAGLBSA-N 317.305 -0.552 30 20 DBED N#Cc1cccnc1N[C@@H](CO)CNC(=O)[C@@H]1CCC(=O)N1 1121818455 KWBWIOARXKXZGA-MNOVXSKESA-N 303.322 -0.879 30 20 DBED COCCOCC(=O)N1C[C@@H](N=c2cc[nH]c(C#N)n2)C[C@@H]1C 1123178100 GHFDRVXJACCENT-RYUDHWBXSA-N 319.365 -0.166 30 20 DBED CC[C@H](C(=O)N(C)C[C@H](O)CN=c1cc[nH]cc1C#N)N(C)C 1124456709 YWZJAGOCVHCQMT-UKRRQHHQSA-N 319.409 -0.053 30 20 DBED C=CCOCC(=O)NCCNC[C@H](O)COC1CCOCC1 1124772661 IIERZCYSPKNZES-ZDUSSCGKSA-N 316.398 -0.549 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@H](C)Cn1ccc(C)n1 1128194638 MDTSDNKLDSCORY-GFCCVEGCSA-N 305.382 -0.717 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1cc2c([nH]1)CCOC2 1129244148 PNMRRLKWDDRTOC-NSHDSACASA-N 318.377 -0.455 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)CN(C)C2CCC2)C1=O 1129531968 ODEMAUQIRFRZAO-CQSZACIVSA-N 308.426 -0.037 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)c1nc[nH]c2nccc1-2 1130858457 WZDMNPVLBVGPNK-JTQLQIEISA-N 316.365 -0.080 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1cc(OC)ccn1 1132236343 HJJIWDAZILKRMW-LLVKDONJSA-N 304.350 -0.453 30 20 DBED C#CCNC[C@H]1CN(C(=O)CN2CCN(C)C(=O)C2)CC[C@H]1C 1132931506 AQOUUKSVLRMXPQ-CABCVRRESA-N 320.437 -0.532 30 20 DBED CC#CCNC[C@H]1CN(C(=O)CN2CC(=O)NC2=O)CC[C@@H]1C 1133173914 IQQPROSRRZNLPS-STQMWFEESA-N 320.393 -0.364 30 20 DBED C[C@@H]1CCN(C(=O)COCc2ncnn2C)C[C@H]1CNCC#N 1133213317 LHENBRFLOKBASQ-CHWSQXEVSA-N 320.397 -0.071 30 20 DBED Cc1nn(CC(=O)N2CC[C@H](C)[C@H](CNCC#N)C2)c(=O)n1C 1133289399 UOFZAHOIANWQSP-WCQYABFASA-N 320.397 -0.512 30 20 DBED C=C(C)CN[C@@H](C)C[C@H](C)NC(=O)CNS(=O)(=O)NC 1135081316 KFFAQEKUEZOKML-QWRGUYRKSA-N 306.432 -0.511 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1cnn(C(F)F)c1 1135801474 MPXDIWMQNRQMND-VIFPVBQESA-N 313.308 -0.265 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CN(Cc2nnn(C)n2)CCCO1 1149409521 UWWOURPZRAQNIM-MNOVXSKESA-N 307.358 -0.923 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)C(C)(C)CNC(C)=O)C1 1150444795 NLLVGQSXKMFHPI-CQSZACIVSA-N 309.410 -0.011 30 20 DBED C=CCNC(=O)CN(CC)[C@H](C)CNC(=O)c1cnn(C)c1N 1152919108 SRBGAJHPVPLPDE-LLVKDONJSA-N 322.413 -0.255 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)CCc1cn(C)nn1 1153771246 WUVJHWCRCXOQRA-NSHDSACASA-N 308.386 -0.856 30 20 DBED C=CCCN(CC)[C@H](C)CNC(=O)CNC(=O)CNC(C)=O 1154052831 AHKHKUZHNMARTD-GFCCVEGCSA-N 312.414 -0.359 30 20 DBED C=CCN1CC[C@@H](NCCCNC(=O)[C@H]2COCCN2C)C1=O 1156799624 XLAJMLQZWCEJDA-ZIAGYGMSSA-N 324.425 -0.800 30 20 DBED C#CCNC(=O)CC(=O)NCCC1=CCN(CCCO)CC1 1159891777 UDDAYTVLCXNSCW-UHFFFAOYSA-N 307.394 -0.353 30 20 DBED CC#CCN1CCC(CNC(=O)[C@@H]2COC(=O)N2)(COC)CC1 1162242278 POSUZWOXXPWCHQ-ZDUSSCGKSA-N 323.393 -0.037 30 20 DBED CCOc1cc(C(=O)NCCCNCC(=O)NCC#N)on1 1162679439 VQJUBTUFMVJWRC-UHFFFAOYSA-N 309.326 -0.577 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@H](C)Cc1cnn(C)c1 1169593825 IHBAXSJTOKRUIF-CYBMUJFWSA-N 321.425 -0.003 30 20 DBED CCNC(=O)CN1CCO[C@@H]2CCN(C(=O)C#CC3CC3)C[C@H]21 1177005720 JLWIHBYHMLRFQU-HUUCEWRRSA-N 319.405 -0.162 30 20 DBED CCC(=O)N[C@H](C)C(=O)N1CC[C@H](NCC(=O)NCC#N)[C@@H]1C 1178758416 UMCLTKXZAZOAIE-WOPDTQHZSA-N 323.397 -0.880 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)[C@@H](CC)N(C)C)[C@H]1C 1178985407 IBILEBOZDGIRPR-MELADBBJSA-N 308.426 -0.345 30 20 DBED N#CCNC(=O)CNCCCCCCNC(=O)c1ncccn1 1179872794 RXYVQFGWTUBQSX-UHFFFAOYSA-N 318.381 -0.004 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2cccc(C)n2)C1 1181011854 GGFCEWHCASSWES-CYBMUJFWSA-N 300.362 -0.056 30 20 DBED C=CCNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)[C@@H](F)CC)C1 1184889781 AOULEONOAYEGGX-MNOVXSKESA-N 314.361 -0.063 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)C2(CN(C)C)CC2)C1 1185214156 ORGYCACVIQUXOM-UONOGXRCSA-N 320.437 -0.343 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@@H]1CCN(C(=O)c2cc[nH]n2)C1 1188974473 PJJKCOPMPVABGC-NWDGAFQWSA-N 303.366 -0.306 30 20 DBED C=CCOCC(=O)N1CC[C@@H](N(C)[C@H](C)C(=O)NC(N)=O)C1 1189371359 QCMBFMHYNOTKLO-GHMZBOCLSA-N 312.370 -0.695 30 20 DBED CN(CC(=O)NCC#N)[C@@H]1CCN(C(=O)Cc2cncnc2)C1 1189874247 KBMRVEMBECRLFO-CYBMUJFWSA-N 316.365 -0.808 30 20 DBED COCC#CCN(C)[C@H]1CCN(C(=O)CO[C@H]2CCOC2)C1 1190122026 VEWCJVKFOMXHAC-GJZGRUSLSA-N 310.394 -0.026 30 20 DBED Cc1cc(CN2C[C@@H](O)[C@H](NC(=O)C#CC3CC3)C2)ncn1 1192822114 UPBSZLDPLPVDRJ-HUUCEWRRSA-N 300.362 -0.140 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)CCn2ccccc2=O)C1 1193514909 PJGMCTZYQFNXOL-ZIAGYGMSSA-N 303.362 -0.577 30 20 DBED C=C(Cl)CN(C)[C@H]1CCN(C(=O)CS(=O)(=O)NC)C1 1194089248 CAZDQFVNZDPLMM-JTQLQIEISA-N 309.819 -0.179 30 20 DBED Cc1cc(C(=O)N2CCCN(CC(=O)NCC#N)CC2)n(C)n1 1195025886 XQVCOMBEKZYZPO-UHFFFAOYSA-N 318.381 -0.484 30 20 DBED Cc1nn(C)cc1C(=O)N1CCC(NCC(=O)NCC#N)CC1 1199833813 NFKMPVFADXYTJR-UHFFFAOYSA-N 318.381 -0.438 30 20 DBED C=CCNC(=O)[C@H](C)NC1CCN(C(=O)CC(=O)NCC)CC1 1200186612 FFKVRWCWEGULPR-LBPRGKRZSA-N 324.425 -0.216 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)C2CN(C(C)=O)C2)CCCO1 1200352762 WLISQDVDQDRSLF-OAHLLOKOSA-N 307.394 -0.305 30 20 DBED COc1cc(C(=O)N2CCCO[C@H](CNCC#N)C2)ncn1 1200519718 KRRRMTVBVRZHLI-LLVKDONJSA-N 305.338 -0.171 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@H](NC(=O)COCC)C12CCC2 1202373082 YBHLQFPKJGJGIQ-STQMWFEESA-N 307.394 -0.211 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)C[C@H](C)COC)CC1 1203148234 OURHLYVHWPCSBM-ZDUSSCGKSA-N 309.410 -0.011 30 20 DBED N#CCNC1CCN(C(=O)CCNC(=O)[C@H]2CCCO2)CC1 1204108135 IAJMKHAHINJQLO-CYBMUJFWSA-N 308.382 -0.224 30 20 DBED C=C(C)CCN1C[C@@H](NC(=O)CNC(=O)CNC(C)=O)[C@H](C)C1 1207740098 NXZQIZDPEOLAFW-TZMCWYRMSA-N 324.425 -0.359 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)c2ccncn2)C1 1210198741 RBVJRTOYVGDBKV-GFCCVEGCSA-N 301.350 -0.580 30 20 DBED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)Cc1ccoc1 1212156050 ADEGCJOCKPHXIG-CHWSQXEVSA-N 320.349 -0.723 30 20 DBED Cc1cnc(C(=O)N2C[C@@H](NCC(=O)NCC#N)[C@H](C)C2)cn1 1214076981 FIPNDVYSYAVLOI-ZWNOBZJWSA-N 316.365 -0.525 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)C2=COCCC2)C[C@H]1C 1214290653 ZFGPULDHAWGGAQ-TZMCWYRMSA-N 305.378 -0.133 30 20 DBED Cc1ncoc1C(=O)N1C[C@@H](NCC(=O)NCC#N)[C@H](C)C1 1214400905 NQMAOGDLKXATDE-MWLCHTKSSA-N 305.338 -0.327 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)C[C@H]2CCN(C)C2)C[C@H]1C 1216383953 SZLAKIJVJALLPL-RBSFLKMASA-N 320.437 -0.486 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)C(=O)NCC1CC1 1218865774 CAOBEWGNZXEDKW-UONOGXRCSA-N 305.378 -0.553 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)CNC(=O)c2ccoc2C)C1 1219677062 NJVVARBBAGBDMO-KGLIPLIRSA-N 319.361 -0.498 30 20 DBED C=CCCCN1C[C@H](O)[C@H](NC(=O)c2cccn3nnnc23)C1 1219691554 KVYTXDSVRXVKOA-OLZOCXBDSA-N 316.365 -0.135 30 20 DBED CCCNC(=O)NC(C)(C)C(=O)N[C@@H]1CN(CC#N)C[C@@H]1O 1221077295 HHFXHSBZGYNWNA-MNOVXSKESA-N 311.386 -0.841 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)[C@@H](C)CS(C)(=O)=O)C1 1221102511 WWXWFEARABBHLN-TUAOUCFPSA-N 304.412 -0.596 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)C2(COC)CC2)CC1 1223817522 YNFIMLGFJFNIMY-UHFFFAOYSA-N 321.421 -0.009 30 20 DBED C#CCN[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)NS(C)(=O)=O 1228791502 IOSZOTGSUURCMS-IJLUTSLNSA-N 301.412 -0.426 30 20 DBED Cc1nc[nH]c1C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCC#N 1230382721 WBNZNRWZTUKQDV-VXGBXAGGSA-N 318.381 -0.012 30 20 DBED CSCCC(=O)NCC[C@H]1CN(CC#N)CCS1(=O)=O 1230416512 LBBASONRJFMQRQ-NSHDSACASA-N 319.452 -0.132 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)COCC1CC1 1230865486 DBKRWQZSSTXERR-CQSZACIVSA-N 307.394 -0.305 30 20 DBED C[C@H](C#N)C(=O)N(C)C[C@@H]1CCN1CCN(C)S(C)(=O)=O 1231294623 ZHJFBZCLJXFFET-NEPJUHHUSA-N 316.427 -0.430 30 20 DBED CN1CCC[C@@H](NC(=O)C(=O)N2CCC(C)(C#N)CC2)C1=O 1261925720 YYDRDMIFJMMPKT-LLVKDONJSA-N 306.366 -0.124 30 20 DBED C#C[C@H](C)NC(=O)C(=O)Nc1ccc(C)c(S(N)(=O)=O)c1 1320580528 VETXQJDUAKPHLA-VIFPVBQESA-N 309.347 -0.281 30 20 DBED COc1ccncc1NC(=O)C(=O)NCCn1cnc(C#N)n1 1323104955 QEEDUOJPJLTKRF-UHFFFAOYSA-N 315.293 -0.692 30 20 DBED Cn1cc([C@@]2(C)NC(=O)N(CC(=O)NCCC#N)C2=O)cn1 1324717274 YZCWZNVSJNGYCA-CYBMUJFWSA-N 304.310 -0.783 30 20 DBED CSc1ccc(NC(=O)C(=O)NCC(=O)NCC#N)cn1 1324973198 IVROAKKBWYPIIA-UHFFFAOYSA-N 307.335 -0.502 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)NC1CCN(C(=O)C2CC2)CC1 1325428101 ZIFRZQYUYFUMOZ-LBPRGKRZSA-N 323.393 -0.179 30 20 DBED N#CCC1(CNC(=O)C(=O)N2CC[C@@H]3NC(=O)OC[C@H]3C2)CC1 1326145482 UFOKKXZAHQOMMF-MNOVXSKESA-N 320.349 -0.247 30 20 DBED CCN1CCCN(C(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)CC1=O 1329217483 BJPGAKLOJHYOBL-NWDGAFQWSA-N 306.366 -0.124 30 20 DBED CN[C@H]1CCN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1 1330568429 TVQNICJQNPXYQU-WCQYABFASA-N 305.382 -0.995 30 20 DBED C=C[C@@H](COC)NC(=O)N1CCC[C@H](NS(C)(=O)=O)C1 1330992186 MFBRMFMJBVXNOK-QWRGUYRKSA-N 305.400 -0.089 30 20 DBED C=CCn1c(C[C@@H](C)O)nnc1N1CCO[C@@H](CNC(C)=O)C1 1342132152 SVEWTELHRLOHAW-YPMHNXCESA-N 323.397 -0.271 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N[C@H](C)c1nncn1C 1342153516 GZASNGRUZRJPFU-SECBINFHSA-N 301.372 -0.224 30 20 DBED C#CCCCCNC(=O)C(=O)N1CCO[C@@H](CNC(C)=O)C1 1342364425 NHTCNMBGGFNKCL-ZDUSSCGKSA-N 309.366 -0.730 30 20 DBED CC#CCCNC(=O)C(=O)NCC1(S(C)(=O)=O)CCC1 1343811970 QPGAHXLUWBVNDH-UHFFFAOYSA-N 300.380 -0.401 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CCC(C)(O)CC2)nn1 1345710311 HFLLSXHQURTQSC-UHFFFAOYSA-N 307.354 -0.546 30 20 DBED C=CC[C@H](CC)NC(=O)C(=O)NCCS(=O)(=O)NCC 1346181356 CNESRMJGCLXCQG-JTQLQIEISA-N 305.400 -0.487 30 20 DBED C=CCN(C(=O)c1cnn(CCO)c1)[C@H]1CCS(=O)(=O)C1 1346307942 UCYAJPQTFVPDFX-LBPRGKRZSA-N 313.379 -0.309 30 20 DBED C=CCCCNC(=O)C(=O)N1CCC2(CC1)NC(=O)N(C)C2=O 1346918367 WKNXDGWIXWQWCJ-UHFFFAOYSA-N 322.365 -0.388 30 20 DBED N#Cc1ncn(CCNC(=O)NCC[C@@H](O)C(F)(F)F)n1 1369787604 YPLQEWRSUKOIAD-SSDOTTSWSA-N 306.248 -0.238 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)CCNC(N)=O)[C@@H]2C1 1384274361 GEVMYYYXOPLLCJ-HBNTYKKESA-N 307.354 -0.736 30 20 DBED C[C@@H](CNC(=O)[C@H](C)C#N)NC(=O)CNC(=O)c1ccncc1 1387081411 AKNHJEXHCLVZCO-MNOVXSKESA-N 317.349 -0.408 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1cc(C2CC2)[nH]n1 1399877728 VZVVAFHIKYAMBW-WCBMZHEXSA-N 305.338 -0.346 30 20 DBED COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1 1401530597 JEQBSMCGWBLGEZ-GHMZBOCLSA-N 320.353 -0.396 30 20 DBED CCCN(C(=O)Cn1cc(C#N)c(O)nc1=O)[C@H]1CCN(C)C1 1412270180 SXJGQSQAZPBTCN-LBPRGKRZSA-N 319.365 -0.237 30 20 DBED Cn1cc(C2=NO[C@@H](C(=O)N3CC[C@@](O)(CC#N)C3)C2)cn1 1412276051 NQTBKLNKWYBSBT-OCCSQVGLSA-N 303.322 -0.210 30 20 DBED C[C@H]1CN(C(=O)CCn2cc(C#N)c(O)nc2=O)C[C@@]1(C)CO 1412355003 FUTQPWSTCVHWEN-BONVTDFDSA-N 320.349 -0.312 30 20 DBED N#Cc1ccc(N2C[C@@H](C(=O)N[C@@H]3COC[C@@H]3O)CC2=O)cc1 1413390114 OSSKCFDMJYHWML-YUTCNCBUSA-N 315.329 -0.213 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1C[C@@H](NCC(=O)NC(=O)NC2CC2)C1 1417761063 GJQMZMRRSNYXNM-JBLDHEPKSA-N 321.381 -0.381 30 20 DBED C=C(Cl)CN1CCO[C@@H](CNC(=O)CCNC(N)=O)C1 1421802976 FPXUVZUIINBULZ-JTQLQIEISA-N 304.778 -0.386 30 20 DBED CC[C@@H]1C(=O)NCCCN1S(=O)(=O)N1CCO[C@H](C#N)C1 1424719428 ZJRDVINEYVKYCU-GHMZBOCLSA-N 316.383 -0.944 30 20 DBED C=C(Cl)CN1CC([C@@H](C)NC(=O)CN2CCNC(=O)C2)C1 1425247020 VOIYKNAWGXOKPA-LLVKDONJSA-N 314.817 -0.393 30 20 DBED Cc1ccncc1CC(=O)NC[C@H](O)CNC(=O)[C@H](C)C#N 1433326036 YAYWUOGDOUNZMV-YPMHNXCESA-N 304.350 -0.315 30 20 DBED C[C@H](CC(=O)NCCn1cc(C#N)c(O)nc1=O)n1ccnc1 1434206601 HNKSWYYITBNTLK-SNVBAGLBSA-N 316.321 -0.215 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCCN(C)CCNS(C)(=O)=O 1447327633 NGSXMXBHHCNZMS-NSHDSACASA-N 304.416 -0.524 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1coc(C2CC2)n1 1458000940 MPABXNCQXJFXHB-SCZZXKLOSA-N 306.322 -0.081 30 20 DBED COC[C@H](O)CN1CC2(CC[C@H](CNC(=O)C#CC3CC3)O2)C1 1570231951 IRNWHURXFJEPIJ-HUUCEWRRSA-N 322.405 -0.243 30 20 DBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H](O)CC(=O)O 1573653796 CSKKSZFDKVOVLI-GXSJLCMTSA-N 319.321 -0.779 30 20 DBED CN(CCC#N)S(=O)(=O)N[C@H](C[C@H]1CCCO1)C(=O)O 1573869447 AKPYEBIGEYIHTF-NXEZZACHSA-N 305.356 -0.311 30 20 DBED C[C@H](CN)CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1575985705 UUVGQYLONVDEFD-JFGNBEQYSA-N 300.384 -0.839 30 20 DBED CCN(CCNC(=O)[C@@H](C)C#N)c1cncc(-c2nn[nH]n2)n1 1577924214 WZRUJTCAZXANDG-VIFPVBQESA-N 315.341 -0.241 30 20 DBED COCCOCCOCCN(C)C(=O)N[C@@H]1CNC[C@@H]1C#N 1579058996 NLKMNLQCPUPENF-QWHCGFSZSA-N 314.386 -0.581 30 20 DBED C#CC1(O)CCN(C(=O)Cc2noc(C)c2-c2nn[nH]n2)CC1 1588333234 IDCGBNPXWXQMRE-UHFFFAOYSA-N 316.321 -0.308 30 20 DBED C#CCN1CCN(C(=O)CN[C@H](C[C@H]2CCCO2)C(=O)O)CC1 1588477430 QBRYLHSGNZOMJE-ZIAGYGMSSA-N 323.393 -0.624 30 20 DBED N#CCNC(=O)CNC(=O)c1cc(-c2nn[nH]n2)ccc1F 1592677650 HTBFZFZGFXGTFI-UHFFFAOYSA-N 303.257 -0.625 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)NCC2(C(=O)O)CCC2)C1 1594606016 MSOBPEUTCSMTGB-AWEZNQCLSA-N 309.322 -0.765 30 20 DBED N#CCC(=O)N1CCN(S(=O)(=O)[C@H]2C[C@@H](C(=O)O)C2)CC1 1601060384 FPMOFXQYUXZJCD-AOOOYVTPSA-N 315.351 -0.763 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)CCCCC(=O)O)CC1 1602701992 FYLOJUUGNPJFKH-UHFFFAOYSA-N 309.366 -0.475 30 20 DBED N#C[C@]1(C(=O)NCCOCCOCC(=O)O)CCCOC1 1605577272 YVCMJFUNOJRDGT-CYBMUJFWSA-N 300.311 -0.459 30 20 DBED N#C[C@@]12CN(C[C@@H]3[C@H](C(=O)O)C3(F)F)C[C@@H]1CS(=O)(=O)C2 1608190526 SUIHZSYTNLSMPX-CDLYGTGVSA-N 320.317 -0.178 30 20 DBED C=CCOC[C@H](NC(=O)C[C@@H]1CCCS(=O)(=O)C1)C(=O)O 1609432346 OOCLETINYPKVQS-QWRGUYRKSA-N 319.379 -0.027 30 20 DBED N#Cc1ncn(CC(=O)N2CCC[C@@H](N3CCNC3=O)C2)n1 1647109868 CLIIILMNDFJSBI-SNVBAGLBSA-N 303.326 -0.834 30 20 DBED C=CCNC(=O)[C@H](C)N(C)CCCNC(=O)[C@@]1(C)CCNC1=O 1752060253 OGOKFSQEJMXAQT-BLLLJJGKSA-N 324.425 -0.359 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCCOC1 1752532875 WGYHRPGYTPDJFT-KFWWJZLASA-N 319.405 -0.162 30 20 DBED C=CCN1CC[C@H](N[C@@H](C)CNC(=O)c2cnn(CC)n2)C1=O 1752870811 OHKDFRGURRZCAH-RYUDHWBXSA-N 320.397 -0.207 30 20 DBED C=CCNC(=O)CN[C@H]1CCC[C@@H](NC(=O)C2(C(N)=O)CC2)C1 1752976538 OQQSUVRUCTWPCJ-NWDGAFQWSA-N 322.409 -0.429 30 20 DBED C#CCN1CCC(C(=O)NCCN(CC(N)=O)C2CC2)CC1 1753164613 AKIWQONIUHLUPX-UHFFFAOYSA-N 306.410 -0.603 30 20 DBED COCC#CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC(=O)N(C)C1 1753421636 QIOJWOJFYULHKK-RDBSUJKOSA-N 305.378 -0.600 30 20 DBED C[C@H](CNCC(=O)NCC#N)N(C)C(=O)c1cccc(O)n1 1753687289 KSPCDRCDDUAENJ-SNVBAGLBSA-N 305.338 -0.523 30 20 DBED COCC#CCNC[C@@H]1[C@@H](C)CCCN1C(=O)CCNC(N)=O 1753813792 MMYRJEUDIYXLBS-UONOGXRCSA-N 324.425 -0.089 30 20 DBED CCCOCC(=O)N1CC[C@@H]2[C@H](CCN2CC(=O)NCC#N)C1 1753870741 GBHUVLWJUFBPCG-ZIAGYGMSSA-N 322.409 -0.024 30 20 DBED CCCn1nnnc1CNC[C@H](O)CNC(=O)C#CC1CC1 1753911390 PMDRWXNWBISBBB-LBPRGKRZSA-N 306.370 -0.937 30 20 DBED C=CCCCNC[C@H](O)CNC(=O)c1cn(C)c(=O)nc1O 1753936659 BQHZXCSFNMGGMI-JTQLQIEISA-N 310.354 -0.868 30 20 DBED CCc1nc(C)c(C(=O)N[C@@H](C)CNCC(=O)NCC#N)o1 1754289747 SRWZJVWJLYNSQB-VIFPVBQESA-N 307.354 -0.107 30 20 DBED CCN1C[C@H](C(=O)N[C@@H](CNCC#CCOC)C2CC2)CC1=O 1754442779 JDPHJLKXASMTPM-CABCVRRESA-N 321.421 -0.011 30 20 DBED C#CCNC(=O)CN1CC(N(C)C(=O)C[C@H]2CCN(C)C2)C1 1754585509 YAEYPNHVUFHAJA-CYBMUJFWSA-N 306.410 -0.780 30 20 DBED N#CCNC(=O)CNC[C@@H]1CCCN1C(=O)[C@@]1(F)CCOC1 1754616284 WLIKLFURSHCZGD-SMDDNHRTSA-N 312.345 -0.665 30 20 DBED CCn1ncc(C(=O)N(CCO)CCNCC#CCOC)c1C 1754895545 YYGRPVXUMGTABX-UHFFFAOYSA-N 322.409 -0.115 30 20 DBED C=CCNCC1(NC(=O)CN2CCN(C)C(=O)C2)CCOCC1 1755095551 MJJUVZFGWBPOPO-UHFFFAOYSA-N 324.425 -0.799 30 20 DBED CC1(C)CN(CC(=O)NCC#N)C[C@@H]1NC(=O)c1cocn1 1755407697 QKGPXTCJXYQBBL-NSHDSACASA-N 305.338 -0.245 30 20 DBED CC(C)[C@@H](CCNC(=O)Cn1cnc(C(N)=O)n1)NCC#N 1755550391 ANYZIZFQOSHYOW-SNVBAGLBSA-N 307.358 -0.979 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)CN2CCCC2)[C@@H]1C 1755667285 RMSDHSKIOLLJHI-ZIAGYGMSSA-N 306.410 -0.589 30 20 DBED C#CCNC(=O)CN1CCC[C@H](NC(=O)c2cn(C)cn2)[C@H]1C 1755732468 WFRKBWYSOLHQCO-OLZOCXBDSA-N 317.393 -0.248 30 20 DBED COc1cc(C(=O)NC[C@@H](CO)NC(=O)C#CC2CC2)ccn1 1756532765 MKTAUEPIBNMVMO-ZDUSSCGKSA-N 317.345 -0.290 30 20 DBED CN(C[C@H](O)CNC(=O)c1cnn(C)n1)C(=O)C#CC(C)(C)C 1756663249 SZCJETARVIHZCF-LLVKDONJSA-N 321.381 -0.586 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C1CC(NC(=O)c2cnon2)C1 1756740943 BOHNRACHCJWQBW-KPPDAEKUSA-N 306.322 -0.173 30 20 DBED C[C@H](C#N)C(=O)NCc1ccc(CNC(=O)C(N)=O)c(F)c1 1756785456 VGUCQRVLQZQQJY-MRVPVSSYSA-N 306.297 -0.297 30 20 DBED C=CCOCC(=O)N1C[C@@H](NC(=O)[C@H](C)COC)[C@H](OC)C1 1757121117 XUTYOUDKYBMMFC-JHJVBQTASA-N 314.382 -0.187 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@@H](CNC(=O)[C@]2(C)CCNC2=O)C1 1757332825 UYOAIPHQYPUFDA-YYHMBLRTSA-N 306.366 -0.317 30 20 DBED CC[C@@H](O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C#CC(=O)O)C2 1792982640 SEPGMJXEHJAKJU-WRWGMCAJSA-N 308.334 -0.517 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ocnc1C 1794857144 NFHMDKWMNZLOGW-PTEHBNRSSA-N 303.318 -0.181 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccnc1)C2 1800451312 WMCYKJSDLNENSR-JJLQDPRZSA-N 302.334 -0.894 30 20 DBED C=CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NC=O)C2 1801001874 CUHVZRZMNKQPOB-FMSGJZPZSA-N 309.366 -0.713 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@H](O)CC1 1801131499 DURLMVINFSICJZ-IQHMXFAQSA-N 320.389 -0.240 30 20 DBED C#CC(=O)N1CCC([C@H]2CCCCN2C(=O)CNC(=N)N)CC1 1826832765 UYYKZMMXLAIXIK-CYBMUJFWSA-N 319.409 -0.278 30 20 DBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(=O)C1CC1)CCO2 1830606675 YCBDQFONUOMEEG-INIZCTEOSA-N 320.345 -0.945 30 20 DBED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(F)F)CCO2 1834911791 RIEFQYGCIXUXKB-CYBMUJFWSA-N 317.292 -0.378 30 20 DBED CC(=O)NCC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 191060013 YNGJZDLSUVNXIU-AWEZNQCLSA-N 314.345 -0.089 30 20 DBED CNC(=O)NC(=O)[C@H](C)N1CCN(c2ccc(C#N)cn2)CC1 193773420 XXYZZASDUIYXCG-NSHDSACASA-N 316.365 -0.081 30 20 DBED CCN/C(=N/C)N1CCN(S(=O)(=O)Cc2ccon2)CC1 261817888 UCNSFBZVLHJJQA-UHFFFAOYSA-N 315.399 -0.283 30 20 DBED N/C(=N/CC(F)(F)CO)N1CCN(c2ncccn2)CC1 262384861 LDNDRDAEVWAULT-UHFFFAOYSA-N 300.313 -0.459 30 20 DBED C/N=C(/NCCNc1cnccn1)N1CCN(C(C)=O)CC1 263250398 OLMZOUYAYZLYQU-UHFFFAOYSA-N 305.386 -0.372 30 20 DBED C=CCCO[C@@H](C)C(=O)Nc1cnn(CC(=O)NCCO)c1 272285813 UUPVMKVZCLWIAU-NSHDSACASA-N 310.354 -0.089 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N1CCC[C@H](C(=O)NC)C1 272873426 SLDXRAKLJMJOES-NSHDSACASA-N 317.411 -0.245 30 20 DBED COC(=O)C[C@@H](NS(=O)(=O)N(C)[C@@H](C)CC#N)C(=O)OC 282977190 LUZVIRXAPVJYGR-DTWKUNHWSA-N 321.355 -0.841 30 20 DBED COC(=O)[C@H]1[C@H](O)CCCN1S(=O)(=O)c1ccc(C#N)o1 287403705 OORGLHTVDSPAGP-MWLCHTKSSA-N 314.319 -0.162 30 20 DBED N#Cc1ccc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)cc1[N+](=O)[O-] 290783304 NHWPLNFWCPOKBP-LLVKDONJSA-N 315.289 -0.387 30 20 DBED C#CCN(C)CCCNC(=O)C(=O)Nc1cn(C)c(=O)cc1C 293432827 QXCDNDSQGQDORI-UHFFFAOYSA-N 318.377 -0.296 30 20 DBED CCN1CCN(CCNS(=O)(=O)N(C)C[C@H](C)C#N)CC1 330373382 BGKPSVVUMDVDNL-CYBMUJFWSA-N 317.459 -0.450 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@@H]1CCCC[C@H]1O 330401737 UXQUCPSVWJHESC-VXGBXAGGSA-N 305.400 -0.014 30 20 DBED CC(C)C(=O)NCC/N=C(/O)N[C@H]1CCCS(=O)(=O)C1 330711891 VMOCLRFZTPDZSD-JTQLQIEISA-N 305.400 -0.161 30 20 DBED CNC(=O)[C@@H]1CN([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CCO1 330803295 IFSOSTPXIFYTOW-XUJVJEKNSA-N 310.398 -0.124 30 20 DBED CCCN(C(=O)c1cnn(C)c1C#N)[C@H]1CC(=O)N(C)C1=O 338257497 SXCKKRRODYUJNR-JTQLQIEISA-N 303.322 -0.099 30 20 DBED C[C@H]1CN(C(=O)C(=O)Nc2ccc(C#N)cn2)C[C@H](CO)O1 340360911 QQEZFQOHDSXWPQ-GXSJLCMTSA-N 304.306 -0.500 30 20 DBED C=C[C@H](C)NC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 340823932 SDYNDQRWEMBFET-JTQLQIEISA-N 317.349 -0.353 30 20 DBED C[C@@H]1CO[C@H](CO)CN1C(=O)CNC(=O)c1ccc(C#N)cc1 344236990 ZOFPZQAVJZGSPA-RISCZKNCSA-N 317.345 -0.104 30 20 DBED CN(CCCNC(=O)NCC(=O)NCC#N)CC(F)(F)F 344318646 OWUNMZJMQIICQQ-UHFFFAOYSA-N 309.292 -0.190 30 20 DBED COC(=O)[C@H](O)CNC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1 350703326 UKPZPXJKJUMENX-CHWSQXEVSA-N 301.302 -0.109 30 20 DBED C=CCNC(=O)NC(=O)CN1CCN(C(=O)CCOC)CC1 355738996 XAJNHBKNSJIYHB-UHFFFAOYSA-N 312.370 -0.821 30 20 DBED C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N(C)CC#N 356792276 HRHHKYWNDJDGAD-SECBINFHSA-N 324.362 -0.566 30 20 DBED CC(C)CN1CCN(S(=O)(=O)N(C)CCC#N)CC1=O 408367239 SNIRUPNIRJZYFP-UHFFFAOYSA-N 302.400 -0.123 30 20 DBED C[C@H]1COCCN1CCNC(=O)C(=O)NCC(C)(C)CC#N 422481112 OKLLROGQLDMQDX-LBPRGKRZSA-N 310.398 -0.121 30 20 DBED C=CCCn1cc(C(=O)N2CCNC(=O)[C@H]2CC(=O)OC)nn1 424582872 KVZRNFXVRWRXPK-LLVKDONJSA-N 321.337 -0.642 30 20 DBED CCOC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(C#N)s1 435443458 ODEBNNHLLIPXDF-MRVPVSSYSA-N 304.349 -0.178 30 20 DBED C#CCN(CC#CC)CC(=O)N(CC)[C@@H]1CCS(=O)(=O)C1 490680133 XPZSRWLPCOZFFJ-CQSZACIVSA-N 310.419 -0.020 30 20 DBED C#CCN(CC#CC)C(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 490701097 VHNJDZDOBLRRAH-QHSBEEBCSA-N 314.341 -0.366 30 20 DBED C#CCN1CCN(C(=O)Cn2c(C)nn(C(C)(C)C)c2=O)CC1 490948566 FIHVSHBJBFCSEW-UHFFFAOYSA-N 319.409 -0.114 30 20 DBED C#CCNC(=O)C1CCN(CCNS(=O)(=O)CC)CC1 491107179 ZVIRSVZPUGWHQA-UHFFFAOYSA-N 301.412 -0.613 30 20 DBED C#C[C@H](CCC)NC(=O)NCCNS(=O)(=O)NC(C)C 491348214 CEHYVDVVIFGASW-LLVKDONJSA-N 304.416 -0.080 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C)[C@H]2CCOC2)C1=O 545959877 FDFQDNLNCKDEAK-ZJUUUORDSA-N 309.322 -0.496 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@@H]1COC[C@H]1OC 592080390 MICWGLSMMLOZEW-GHMZBOCLSA-N 307.372 -0.903 30 20 DBED CCN(CCC#N)S(=O)(=O)N1C[C@@H](C(=O)OC)C[C@@H](O)C1 592120612 YYYSULRYKGLFKC-WDEREUQCSA-N 319.383 -0.677 30 20 DBED CO[C@H]1CS(=O)(=O)C[C@H]1NS(=O)(=O)CC1(CC#N)CC1 594823131 RVHXTXLCUVKTED-ZJUUUORDSA-N 322.408 -0.588 30 20 DBED CC(C)(CNC(=O)Cn1cnc(C#N)n1)[C@]1(O)CCCOC1 598390123 VCFZVBIDXJMXPP-AWEZNQCLSA-N 307.354 -0.166 30 20 DBED CNS(=O)(=O)CCN1CCN(c2cc(C#N)ccn2)CC1 598586805 DGVICGBUZNKXTH-UHFFFAOYSA-N 309.395 -0.376 30 20 DBED N#Cc1ccc(NC(=O)C(=O)NCCN2CC[C@@H](O)C2)cc1 600069999 BWQGFWCDFOHVQO-CYBMUJFWSA-N 302.334 -0.320 30 20 DBED C[C@@H](CN1CCN(C)CC1)NC(=O)N1CCN(CCC#N)CC1 601584145 WDGLWVCQTLVWLF-HNNXBMFYSA-N 322.457 -0.137 30 20 DBED N#CCc1ccc(OC[C@@H](O)CN2CCO[C@@H](C(N)=O)C2)cc1 604522352 TYIVQHHIFFRUDS-DZGCQCFKSA-N 319.361 -0.322 30 20 DBED C=C[C@@H]1OCC[C@H]1NC(=O)C(=O)Nc1cnn(CCN(C)C)c1 651836996 OXOHJQKBYMSDDX-OLZOCXBDSA-N 321.381 -0.157 30 20 DBED N#CCN(CC(=O)O)C(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 739076037 RHTLIPMKHPDZMV-SSDOTTSWSA-N 307.228 -0.166 30 20 DBED CCOC(=O)C1=C(CN2CCOC[C@@H]2C#N)NC(=O)N[C@H]1C 746479227 VSXZOWXCJCUELY-UWVGGRQHSA-N 308.338 -0.271 30 20 DBED CNS(=O)(=O)[C@@H]1CCCN(Cn2ccc(C)c(C#N)c2=O)C1 758224622 KGGCBUBPQBXQEG-GFCCVEGCSA-N 324.406 -0.001 30 20 DBED C=CCN(CC=C)C(=O)[C@@H](C)OC(=O)Cn1ncn(C)c1=O 781264917 YNKPCWYDAAGFHG-LLVKDONJSA-N 308.338 -0.286 30 20 DBED C#CCOCCNC(=O)N1CC[C@@H](S(=O)(=O)NCC)C1 784545523 OWJYTEYQFTWYHF-LLVKDONJSA-N 303.384 -0.641 30 20 DBED C#C[C@H](NC(=O)N1CCN(S(=O)(=O)N(C)C)CC1)C(C)C 798552000 DSQZQUOZABAOMU-LBPRGKRZSA-N 316.427 -0.222 30 20 DBED C#CCCCNC(=O)C(=O)N1CCN(CC(C)(C)O)[C@@H](C)C1 806916958 XLSGXOGJZWAYJO-ZDUSSCGKSA-N 309.410 -0.180 30 20 DBED CNS(=O)(=O)c1cc(C(=O)N(CC#N)CC(=O)O)c(C)o1 831028976 DVAWGBIIELCDDL-UHFFFAOYSA-N 315.307 -0.454 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCN(S(=O)(=O)CC)C[C@H]1C 832007711 PFIJNELEJIJNCY-NEPJUHHUSA-N 302.396 -0.093 30 20 DBED C#CC[C@H](NS(=O)(=O)c1ccc(N(C)C)nc1)C(=O)OC 841542115 WJGMSFIENILSJN-NSHDSACASA-N 311.363 -0.009 30 20 DBED C#Cc1ccc(C(=O)N2CCC(NS(=O)(=O)NC)CC2)nc1 846056383 OHXQGXCOXMCFCU-UHFFFAOYSA-N 322.390 -0.279 30 20 DBED CN(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC#CCO 846651587 WCXCQIGPJMDBPW-GFCCVEGCSA-N 313.398 -0.057 30 20 DBED COC(=O)CN(CCN1CCN(C)CC1)C(=O)C#CC(C)C 847105716 YMLIXTDPTAQYHO-UHFFFAOYSA-N 309.410 -0.105 30 20 DBED COC(=O)NC1CCN(S(=O)(=O)N(C)CCC#N)CC1 851888423 ROGDLGFQYULZFQ-UHFFFAOYSA-N 304.372 -0.103 30 20 DBED C#C[C@H](NC(=O)N(CCN(C)C)CC(=O)N(C)C)[C@@H]1CCCO1 854003253 GQUPPHZIGVMKIP-KBPBESRZSA-N 324.425 -0.171 30 20 DBED N#Cc1ccc(CNC(=O)C(=O)N2C[C@@H]3C[C@H]2CN3)c(F)c1 884585873 WYWIBYRFUNICAY-RYUDHWBXSA-N 302.309 -0.114 30 20 DBED C#CCN1CCC[C@H](NC(=O)N2CC(N3CC[C@@H](O)C3)C2)C1 890362719 GRKBPJRIKBXGRZ-DZGCQCFKSA-N 306.410 -0.456 30 20 DBED C#CC1(O)CN(C(=O)Cc2c(C)nc3[nH]n(C)c(=O)c3c2C)C1 890522180 DTGPQPLFRWYTOC-UHFFFAOYSA-N 314.345 -0.373 30 20 DBED C=C1CN(C(=O)C2(C(=O)N3CC(=C)C3)C[C@H]2S(C)(=O)=O)C1 912445614 AERCDXKQNFQBBG-LLVKDONJSA-N 310.375 -0.414 30 20 DBED C[C@H](C(=O)N1CCN(C(=O)[C@@H](C)N(C)C)[C@@H](C#N)C1)N(C)C 912534944 HUQRWCXQMSOALC-UPJWGTAASA-N 309.414 -0.550 30 20 DBED CCS(=O)(=O)N1CCC[C@H](C(=O)NCC#CCN(C)C)C1 913517587 HNVQUIPYYWEFDX-ZDUSSCGKSA-N 315.439 -0.271 30 20 DBED CC(C)[C@@](C)(C#N)NC(=O)COC(=O)CN(C)S(C)(=O)=O 914923313 GAIAHTQTXNUYOG-GFCCVEGCSA-N 319.383 -0.525 30 20 DBED C#CCN1CCN(C(=O)CN[C@@]2(C)CC(C)(C)OC2=O)CC1 930873948 HDKJQRSMEGUZQM-INIZCTEOSA-N 307.394 -0.162 30 20 DBED CN1C[C@@H](C(=O)N(C)[C@@H]2CCN(C(=O)C#CC3CC3)C2)CC1=O 937349475 HEKCELMEQQPCCV-UONOGXRCSA-N 317.389 -0.063 30 20 DBED O=C(C[C@@H]1CCNC1=O)N[C@H]1CCN(C(=O)C#CC2CC2)C1 938074124 UAKRAMUBESHAOW-STQMWFEESA-N 303.362 -0.357 30 20 DBED Cc1c[nH]c(C(=O)NC[C@H]2CN(C(=O)[C@@H](C)C#N)CCO2)n1 944611634 SMZMBBFZDRKUPU-ONGXEEELSA-N 305.338 -0.165 30 20 DBED C[C@@H]1C[C@H](NC(=O)C(N)=O)CCN1C(=O)c1cc(C#N)c[nH]1 955618983 XJXIUUNOSZIEAS-PSASIEDQSA-N 303.322 -0.519 30 20 DBED C=CCN1C[C@H](O)[C@H](CNC(=O)c2ccc3nn[nH]c3n2)C1 958120569 ABRHKWFUQKBCJC-SKDRFNHKSA-N 302.338 -0.439 30 20 DBED C#CCCN1C[C@@H](O)[C@@H](CNC(=O)c2cc3n(n2)CCO3)C1 958135442 NOEAPBLNCQGARN-WCQYABFASA-N 304.350 -0.679 30 20 DBED C#CCN1C[C@H](CNC(=O)c2c(C)cc(=O)oc2C)[C@@H](O)C1 958243578 KRDPPOQZEXSHPJ-STQMWFEESA-N 304.346 -0.088 30 20 DBED CC#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cnn3cccnc23)C1 958309921 UGTWMFCCSGJSSE-GXTWGEPZSA-N 313.361 -0.225 30 20 DBED CC(=O)NCc1ccc(C(=O)NC[C@H]2CN(CC#N)C[C@H]2O)o1 958485929 SSFKGFWSFAVNNE-WCQYABFASA-N 320.349 -0.538 30 20 DBED CN(C)C(=O)CN1C[C@@H]2C(NC(=O)c3cc(C#N)c[nH]3)[C@H]2C1 958500455 QKTXVFMYEJMYNC-QWRGUYRKSA-N 301.350 -0.365 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2ccncn2)C1 958933835 RCYUUZFGQPBWMR-USWWRNFRSA-N 303.322 -0.720 30 20 DBED Cc1noc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)c1C 967704344 VASRSWFZIDYMBF-XROYCOCOSA-N 306.322 -0.247 30 20 DBED CCN(C(=O)[C@@H]1CCC(=O)NC1)C1CN(C(=O)[C@@H](C)C#N)C1 968134469 YXQIWDBGGHUATJ-WDEREUQCSA-N 306.366 -0.268 30 20 DBED N#CCN1CCO[C@@]2(CCN(C(=O)[C@@H]3CCNC(=O)C3)C2)C1 972337781 AJFASKFRQKHPHY-DOMZBBRYSA-N 306.366 -0.661 30 20 DBED C[C@@H](C(=O)N1CC[C@]2(CN(CC#N)CCO2)C1)S(C)(=O)=O 972435525 ODRRCAIYPSDDOM-AAEUAGOBSA-N 315.395 -0.754 30 20 DBED Cc1nc(O)nc(O)c1CC(=O)N1CC[C@H](N(C)CC#N)C1 972601134 FYTWIVCYSSTJQH-JTQLQIEISA-N 305.338 -0.205 30 20 DBED CC#CCN1C[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C(C)(C)C1 975030981 ORNGGEVKZQLPMY-XQQFMLRXSA-N 307.394 -0.131 30 20 DBED C#CCN1C[C@H]2C(CNC(=O)c3c(C)c[nH]c3CC(N)=O)[C@@H]2C1 978745383 KYTZHXBUPDFGNW-STQMWFEESA-N 314.389 -0.108 30 20 DBED C#Cc1ccc(C(=O)NCC2[C@H]3CN(CC(=O)NC)C[C@H]23)cn1 979007839 SFCIQSPBNSTZIF-HUUCEWRRSA-N 312.373 -0.284 30 20 DBED C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)CN2CCNC(=O)C2)C1 989293513 GVPKZSMBWBJTKZ-NWDGAFQWSA-N 314.817 -0.250 30 20 DBED C#CCCN1CCCN(C(=O)CC[C@H]2NC(=O)NC2=O)CC1 989625986 QVWDPFWYKQQTPB-GFCCVEGCSA-N 306.366 -0.468 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)c2cn(C)cn2)C1 990836568 SCEABMLBGIAZBV-YPMHNXCESA-N 304.350 -0.048 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CCN(C(=O)C(F)F)C[C@@H]2O)c[nH]1 991402406 SMTPDKMZGWYTNN-ZJUUUORDSA-N 312.276 -0.157 30 20 DBED C#CCN[C@@H]1CCC[C@H]2CN(C(=O)CN3C(=O)CNC3=O)C[C@@H]21 992897932 ACGKIPKIVQIZLC-RWMBFGLXSA-N 318.377 -0.612 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)c2cnc3[nH]c(O)nc3c2)C1 994982900 WUYIODGKIOWJDR-ZETCQYMHSA-N 314.305 -0.236 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N2C[C@@H](NC(C)=O)CC2=O)C1 995464131 OUOVXDNUDASLKH-YUTCNCBUSA-N 321.377 -0.475 30 20 DBED Cc1nn[nH]c1C(=O)NCc1cn([C@H]2CCN(CC#N)C2)nn1 1000012271 AQCYMZUAAMZLLU-NSHDSACASA-N 315.341 -0.595 30 20 DBED C[C@@H](NC(=O)c1nc[nH]n1)C1CN(C(=O)c2ccc(C#N)[nH]2)C1 1006613301 KCINAYHJVMKKKI-MRVPVSSYSA-N 313.321 -0.105 30 20 DBED O=C1NC[C@H](C(=O)N2C[C@H]3CC[C@H]2CN3C(=O)C#CC2CC2)N1 1007314247 PERVBOSLJZJORY-FRRDWIJNSA-N 316.361 -0.717 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](NC(=O)CN2CCOCC2)C(C)(C)C1 1008053187 KQBOAHOFYXDJHV-CHWSQXEVSA-N 322.409 -0.169 30 20 DBED Cc1cccn(CC(=O)N2CCN(C(=O)[C@@H](C)C#N)CC2)c1=O 1011136073 KKZOQQKGYWPRGK-ZDUSSCGKSA-N 316.361 -0.013 30 20 DBED C[C@@H](C#N)C(=O)N1CC=C(CNC(=O)[C@@H]2COC(=O)N2)CC1 1017418983 CKZGMEONGKTPFJ-ONGXEEELSA-N 306.322 -0.471 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CCN(C(=O)CCn3cnnn3)[C@@H]2C1 1022512218 FURCVQSBADDKNC-SDDRHHMPSA-N 317.353 -0.718 30 20 DBED O=C1NC[C@H](C(=O)N2CC[C@H]3CN(C(=O)C#CC4CC4)C[C@H]32)N1 1022547490 XHWHEMBLBBOCPD-YNEHKIRRSA-N 316.361 -0.860 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2nccn2)C1 1023897036 VBCANGWMEQPJCK-GHMZBOCLSA-N 307.354 -0.822 30 20 DBED C#CCN1CCC[C@@H]([C@@H](C)NC(=O)C2CC(=O)NC(=O)C2)C1 1025562356 RRZBMSKWLFTHIL-VXGBXAGGSA-N 305.378 -0.111 30 20 DBED CN1CC(=O)N(CC(=O)N2C[C@@H]3CC[C@H](NCC#N)[C@H]3C2)C1=O 1026415356 FVWRUSHNPKIFPB-SRVKXCTJSA-N 319.365 -0.769 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)[C@H]3CCCNC3=O)C2)C1=O 1030478269 DTHPPGYQIMYXFP-QWHCGFSZSA-N 320.393 -0.900 30 20 DBED C=CCN1CC[C@@H](N2CC(CNC(=O)[C@H]3CCOC3)C2)C1=O 1031572317 JIRVKVMTGAVLRU-UONOGXRCSA-N 307.394 -0.142 30 20 DBED C=C(Cl)CN1CC(CNC(=O)[C@H]2CCS(=O)(=O)N2)C1 1032192556 LCJKAFAIQYPJMW-SNVBAGLBSA-N 307.803 -0.521 30 20 DBED C#CCN1CCC(C(=O)N(C)[C@H]2CCN([C@@H](C)C(N)=O)C2)CC1 1033683118 DVKBALYGNFEGQP-ZFWWWQNUSA-N 320.437 -0.262 30 20 DBED Cn1nnc2cc(C(=O)NC[C@@H]3CN(CC#N)CCO3)ccc21 1035414596 BILUEPCULORVQM-GFCCVEGCSA-N 314.349 -0.078 30 20 DBED N#CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)CN1CCCCS1(=O)=O 1037508994 LYOYMNYJUZMUHW-MDZLAQPJSA-N 312.395 -0.876 30 20 DBED C=CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)Cn1nc2ccccn2c1=O 1037525307 DPUIJYJMRBNUDQ-XUJVJEKNSA-N 313.361 -0.129 30 20 DBED C#CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)c1nc(C)n(-c2nc[nH]n2)n1 1037539228 MCFAMRHUUPCUIW-VWYCJHECSA-N 312.337 -0.870 30 20 DBED C=CCCOCC(=O)N1CC[C@@](O)(CNC(=O)c2ncc[nH]2)C1 1039661721 DFVGUFUQJDMAPI-OAHLLOKOSA-N 322.365 -0.304 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)Cc2cncn2C)C1 1040355415 VJVTYYGXQMIMFJ-IAQYHMDHSA-N 319.365 -0.798 30 20 DBED C[C@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)Cc2cc[nH]n2)C1 1040762508 JDEBQAYWPJIOEY-QMTHXVAHSA-N 305.338 -0.809 30 20 DBED CCc1cc(C(=O)N2CC[C@](O)(CNC(=O)[C@H](C)C#N)C2)n[nH]1 1040764028 SYDQUFUYDWHLGM-BMIGLBTASA-N 319.365 -0.175 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)Cc2cnc[nH]2)C1 1040767020 VRPKLQZMGZOSSS-HZMBPMFUSA-N 305.338 -0.809 30 20 DBED C[C@@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1040768934 GXHDZXUBMFHEOC-HHHUMZEGSA-N 307.350 -0.882 30 20 DBED Cn1cc(C(=O)N[C@@H]2CN(c3ccncc3C#N)C[C@H]2O)cn1 1040939136 LTCHDIRAINHMGU-TZMCWYRMSA-N 312.333 -0.334 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)c2n[nH]c(C)c2O)C1 1041956492 NVWWIIIAPUCBHQ-UHFFFAOYSA-N 308.338 -0.307 30 20 DBED Cn1cnn(CCC(=O)N2CC[C@H]3CCN(CC#N)[C@H]3C2)c1=O 1042163610 WWDUCPDGDOXLIX-OLZOCXBDSA-N 318.381 -0.582 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)c2ccoc2)C1 1043032847 JZHJWEAWNFTMTE-UHFFFAOYSA-N 306.318 -0.377 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)c2nc(C)c[nH]2)C1 1043035860 FNCFABVRVIUZLK-UHFFFAOYSA-N 320.349 -0.939 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)C[C@H]2C[C@@H]2C)C1 1043036176 LLUDQYJAQQYUNY-QWHCGFSZSA-N 308.378 -0.238 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)CC(C)(F)F)C1 1043042265 NVKNTJWYQPMWJI-SNVBAGLBSA-N 318.320 -0.241 30 20 DBED C=CCCOCC(=O)NCC1(O)CN(C(=O)c2ncccn2)C1 1043568839 PGIXIOXYAOACIU-UHFFFAOYSA-N 320.349 -0.628 30 20 DBED CO[C@@H]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1043628299 VXBYYZACGDOVGD-ZIAGYGMSSA-N 320.389 -0.096 30 20 DBED C=CCN1CC[C@@H](N2CCN(C(=O)[C@H]3COCCN3C)CC2)C1 1046022639 VFARWLNZEUPPNU-HZPDHXFCSA-N 322.453 -0.279 30 20 DBED CC#CCN1CC[C@](C)(NC(=O)[C@@H]2CCN(C)S2(=O)=O)C1 1046691315 VRCCCDMZMVZSNJ-JSGCOSHPSA-N 313.423 -0.376 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)CN(C)CC(C)(C)C)C1 1046695327 CUZXJYABSYSXFI-GFCCVEGCSA-N 324.425 -0.187 30 20 DBED C#CCN1C[C@H]2C[C@@H](NC(=O)CN3CCC(=O)NC3=O)C[C@H]1C2 1047180779 OPNQOINUNKVNRQ-YNEHKIRRSA-N 318.377 -0.469 30 20 DBED CC(C)C#CC(=O)N(C)[C@H]1CN(C(=O)[C@H]2CCCN2C)C[C@@H]1O 1048807598 PLNXIUPONXIHRV-ILXRZTDVSA-N 321.421 -0.230 30 20 DBED C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)CN1C(=O)CNC1=O 1049880443 ANFZTMWNTVESDY-NWDGAFQWSA-N 304.350 -0.763 30 20 DBED CC#CCN1CCOC[C@@H]1CNC(=O)[C@H]1CC(=O)N(CC)C1 1050945560 RDQDWIQNICKYNC-KBPBESRZSA-N 307.394 -0.305 30 20 DBED Cc1cc(=O)c(C(=O)NC[C@@H]2COCCN2CC#N)cn1C 1050965814 ORUFWYFIORTHNC-GFCCVEGCSA-N 304.350 -0.352 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2COCCN2C[C@H](C)OC)nn1 1051155902 MEQVQFNLNVIRCJ-QWHCGFSZSA-N 323.397 -0.070 30 20 DBED N#Cc1cccc(CNC[C@H]2CN(C(=O)CC(N)=O)CCO2)c1 1051501258 BDOZFRUTLFQPLL-AWEZNQCLSA-N 316.361 -0.249 30 20 DBED C#CCN1CCN([C@@H]2CCN(C(=O)c3c[nH]c(=O)cn3)C2)CC1 1052071557 VTSIDHVKOHWLBY-CYBMUJFWSA-N 315.377 -0.765 30 20 DBED C[C@]12CN(C(=O)C(N)=O)C[C@H]1CN(c1cnc(C#N)cn1)C2 1052546399 PFAQLZVMTSSTRI-OTYXRUKQSA-N 300.322 -0.882 30 20 DBED C#CCC1(C(=O)NC[C@H]2CN(C(=O)C(N)=O)C[C@H]2C)CCC1 1053307271 UELPBEXSPUUFBI-NEPJUHHUSA-N 305.378 -0.124 30 20 DBED C[C@H]1CN(C(=O)Cn2cncn2)C[C@@H]1CNC(=O)C#CC1CC1 1053479967 SWNLSVHIGZJWBM-JSGCOSHPSA-N 315.377 -0.098 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)[C@H]3CCn4ccnc4C3)CO2)C1 1053851977 DSBKAYQISKPLCJ-QWHCGFSZSA-N 315.377 -0.071 30 20 DBED C=C(C)CCN1CC2(C[C@@H](NC(=O)[C@H]3CNC(=O)N3)CO2)C1 1053911151 YCYLGIXSJAOWID-VXGBXAGGSA-N 308.382 -0.407 30 20 DBED C[C@H](C#N)C(=O)N[C@]1(CO)CCCN(C(=O)c2cncn2C)C1 1056096856 LCQQZLXUHQBISJ-IAQYHMDHSA-N 319.365 -0.337 30 20 DBED C[C@H](C(=O)N[C@H]1[C@@H]2CN(c3cncc(C#N)n3)C[C@@H]21)n1cncn1 1056169293 UDJJFPPOAZDHCP-WUWHUORYSA-N 324.348 -0.248 30 20 DBED Cn1cc(C(=O)NC2[C@@H]3CN(c4cncc(C#N)n4)C[C@@H]23)nn1 1056198288 KXVDIRNWUOLSOD-NXEZZACHSA-N 310.321 -0.659 30 20 DBED N#Cc1cnccc1N1C[C@H]2C(NC(=O)Cc3nc[nH]n3)[C@@H]2C1 1056295860 BGKIMDJSYVNOMC-GHMZBOCLSA-N 309.333 -0.135 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)CC(N)=O 1056325764 UVHMNKHMTNWFDE-FRRDWIJNSA-N 321.377 -0.508 30 20 DBED N#Cc1cncc(N2C[C@H]3[C@H](NC(=O)c4cncnc4O)[C@H]3C2)n1 1056329703 ANWQJOWMFRTKRV-PJXYFTJBSA-N 323.316 -0.292 30 20 DBED CN(c1nccnc1C#N)[C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 1057033208 MRPRSWUUDAEWDL-MXWKQRLJSA-N 314.349 -0.493 30 20 DBED C=C[C@](C)(O)CC(=O)N(CCO)CCNC(=O)c1ccncc1 1057450739 YCPJPBABZPHIRK-INIZCTEOSA-N 321.377 -0.041 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1057543457 JUPZXMFOUHKGDU-VXGBXAGGSA-N 311.338 -0.608 30 20 DBED C=CCC(C)(C)C(=O)N(CCO)CCNC(=O)c1ncn(C)n1 1057601128 DJAZNQBEONXPQK-UHFFFAOYSA-N 323.397 -0.032 30 20 DBED N#Cc1nc(=N[C@@H]2CCCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)cc[nH]1 1057760477 SZQDSMRNXKGOBQ-MXWKQRLJSA-N 314.349 -0.706 30 20 DBED O=C(C#CC1CC1)NCCN(CCO)C(=O)CCc1cnc[nH]1 1057901150 IJTMCIAAVZQRTB-UHFFFAOYSA-N 318.377 -0.307 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)[C@@H]1CCCCN1C 1058040614 VCUFZUQLPDWKGD-STQMWFEESA-N 310.398 -0.433 30 20 DBED N#Cc1cnc(N2CC[C@@H](NC(=O)Cn3cnnn3)C2)c(F)c1 1058308416 PWBNHWBWBZMHTR-SNVBAGLBSA-N 316.300 -0.526 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)[C@H]1C[C@H](C)CO1 1058331277 INYYPFFHDMRPLI-QWHCGFSZSA-N 314.382 -0.449 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)[C@]1(F)CCOC1 1058493074 LVVCBHZAVPJVCG-GWCFXTLKSA-N 301.318 -0.788 30 20 DBED C[C@@]1(C(=O)N[C@H]2CCN(c3cnc(C#N)cn3)C2)CCC(=O)N1 1058536182 DKBFXRLCULPYQG-BONVTDFDSA-N 314.349 -0.288 30 20 DBED Cc1cnn(CC(=O)N2CC[C@H](N=c3cc[nH]c(C#N)n3)C2)c1 1058849792 KWYFISSODFBVBA-LBPRGKRZSA-N 311.349 -0.012 30 20 DBED Cn1c(C(=O)N[C@H]2C[C@@H](N=c3cc[nH]c(C#N)n3)C2)cnc1O 1059781851 NTWXXJOZRPEXHQ-DTORHVGOSA-N 313.321 -0.418 30 20 DBED C=CCOCC(=O)N1CCOC[C@H]1CNC(=O)c1cnc(C)[nH]1 1061420913 GCTSDADSOVLTFX-GFCCVEGCSA-N 322.365 -0.122 30 20 DBED CC(C)C#CC(=O)NC[C@H]1COCCN1C(=O)c1nc[nH]n1 1061567006 ZSAXKRYYNZOTJY-NSHDSACASA-N 305.338 -0.579 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCOC[C@H]1CNC(=O)c1cnco1 1061731869 YORVUFHWTYGSOX-NWDGAFQWSA-N 321.333 -0.330 30 20 DBED CCn1ncc(C(=O)N2CCOC[C@H]2CNC(=O)[C@H](C)C#N)n1 1061847665 MINYQMYZTHDVPP-GHMZBOCLSA-N 320.353 -0.585 30 20 DBED C#CCOCCC(=O)NC1(CNC(=O)[C@H](C)NC(C)=O)CCC1 1062461983 NKEPWLJEXRAUSV-LBPRGKRZSA-N 323.393 -0.294 30 20 DBED CN(C(=O)[C@H]1CCNC1=O)[C@H]1CCN(c2cncc(C#N)n2)C1 1063004163 ANHDRNIMQQBIRT-RYUDHWBXSA-N 314.349 -0.479 30 20 DBED CN(C(=O)[C@H]1CNC(=O)N1)[C@H]1CCN(c2ccc(C#N)nn2)C1 1063024973 MJSLAVOSBRQTOW-WDEREUQCSA-N 315.337 -0.933 30 20 DBED N#Cc1nc(=NCC[C@@H]2CCCN(C(=O)C(N)=O)C2)cc[nH]1 1063292334 DUWHPZKWUYGUNT-JTQLQIEISA-N 302.338 -0.704 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCC1(NC(=O)CC(N)=O)CCC1 1063479732 CZVSYNZUJAIIDT-LBPRGKRZSA-N 320.393 -0.886 30 20 DBED Cc1ncn(C)c1C(=O)N1CCO[C@@H](CNC(=O)[C@@H](C)C#N)C1 1065266166 WOSGZRHXRNUHJO-JQWIXIFHSA-N 319.365 -0.155 30 20 DBED Cc1cc(C#N)nc(N(C)C[C@@H]2CCCN2C(=O)CC(N)=O)n1 1067743906 NFLAQFWXOVGBJY-LBPRGKRZSA-N 316.365 -0.041 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCCN(C)C(=O)c1nnc(O)nc1O 1067853810 VRPILFDXMOEGLG-QMMMGPOBSA-N 322.325 -0.637 30 20 DBED COCC(=O)N1CC[C@]2(C1)CN(c1ccnc(C#N)n1)CCO2 1068075126 QNKFIMJOIJTFJF-OAHLLOKOSA-N 317.349 -0.198 30 20 DBED Cc1ccc(C#N)c(N[C@@H](C)[C@H]2CN(C(=O)C(N)=O)CCO2)n1 1068243711 MXIXSQXPNYNUCY-CMPLNLGQSA-N 317.349 -0.225 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC2(CN(C(=O)COC)CCO2)C1 1068274055 VBHAQEORLHGDTG-AWEZNQCLSA-N 312.366 -0.600 30 20 DBED C=CC(C)(C)CC(=O)NC[C@@H]1CCC2(CN(C(=O)C(N)=O)C2)O1 1068578848 BBEXPQKPJWKPEY-NSHDSACASA-N 323.393 -0.050 30 20 DBED C[C@@H]1[C@H](N=c2cc[nH]c(C#N)n2)CCN1C(=O)c1ncn(C)n1 1068828159 AXIWUXJPCHFTGC-NXEZZACHSA-N 312.337 -0.386 30 20 DBED C=CCCC(=O)N1CC2(C[C@H](NC(=O)[C@H]3CNC(=O)N3)CO2)C1 1068988206 CARWZNVVNHWNSB-WDEREUQCSA-N 322.365 -0.880 30 20 DBED C=CCN[C@@H]1CN(C(=O)c2cnsn2)C[C@@H]1n1ccnn1 1070148157 PFJNUHZSXXJYPG-MNOVXSKESA-N 305.367 -0.029 30 20 DBED N#CCN[C@@H]1CN(C(=O)C2(F)CCOCC2)C[C@@H]1n1ccnn1 1070207627 GDKHHFWTTYMFAB-NEPJUHHUSA-N 322.344 -0.338 30 20 DBED Cc1nc([C@@H]2CN(C(=O)[C@H](C)C#N)CC23CN(CCO)C3)n[nH]1 1070442663 LWYXQLKYPVDYHH-PWSUYJOCSA-N 318.381 -0.507 30 20 DBED C=CCN1CC2(C1)CN(C(=O)CC(N)=O)C[C@H]2c1n[nH]c(C)n1 1070443162 ZJDXUGOIOMNOEX-NSHDSACASA-N 318.381 -0.598 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCCN(C(=O)c2cc[nH]c2)C1 1070845687 NJXMZVMXYSIXFT-CYBMUJFWSA-N 316.361 -0.125 30 20 DBED C=CCCN1CCNC(=O)CCN(C(=O)c2nc[nH]n2)CC1 1071009534 XAFBACJFJILQOY-UHFFFAOYSA-N 306.370 -0.355 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(C(=O)Cc2ncc[nH]2)C[C@H]1C 1072602266 GDCYEWPYJTXBER-CHWSQXEVSA-N 318.377 -0.045 30 20 DBED C[C@H](C#N)C(=O)NC1(C)CCN(C(=O)CN2CCOCC2)CC1 1072958263 XCXBIZIXHNBDRB-CYBMUJFWSA-N 322.409 -0.024 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(C)(NC(=O)CCNC(N)=O)CC1 1073229862 JRGMPRXATMJQDL-JTQLQIEISA-N 309.370 -0.298 30 20 DBED C#CCCN1CCO[C@@H]2CCN(C(=O)Cn3nccn3)C[C@H]21 1074256202 QPMKLPZEHPDTPG-ZIAGYGMSSA-N 303.366 -0.397 30 20 DBED C=CCOCC(=O)N1CC[C@@H]2CN(C(=O)CC(N)=O)C[C@@H]2CC1 1074308708 JBERZCCQEZNRLM-BETUJISGSA-N 323.393 -0.239 30 20 DBED C#CCOCCC(=O)NCC[C@H](C)NC(=O)[C@@H]1COC(=O)N1 1076503946 DLEJTLCHNPBTQC-QWRGUYRKSA-N 311.338 -0.854 30 20 DBED C#CCC1(C(=O)NCC[C@H](C)NC(=O)Cn2ncnn2)CCC1 1076833369 ATJLTTMUVCPQJN-LBPRGKRZSA-N 318.381 -0.122 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(Cc2cn(C)nn2)C[C@H]1O 1077698076 QJUUOZMHYKOQJR-SYQHCUMBSA-N 321.381 -0.933 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H](C)CCNC(=O)Cn1cncn1 1078576699 OZTMHMSMQCCPPW-NWDGAFQWSA-N 309.370 -0.120 30 20 DBED CCN(C(=O)c1c[nH]c(C#N)c1)C1CN(C(=O)CC(=O)NC)C1 1079640609 BKTPXOIIERIXRA-UHFFFAOYSA-N 317.349 -0.305 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2cn[nH]c2)C[C@@H]1O 1081343890 JEJCTYQVSCKGGV-RYUDHWBXSA-N 308.338 -0.839 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(C(=O)c2cocn2)C[C@H]1O 1081471984 ULKGJKYTBUORNP-WCQYABFASA-N 303.318 -0.363 30 20 DBED C=CCCOCC(=O)NC[C@H]1CN(C(=O)c2cc[nH]n2)C[C@@H]1O 1081566291 FDTGQPOKRMQPJC-AAEUAGOBSA-N 322.365 -0.449 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CN(C)CCO1 1083035638 YEXLAWMGMYUFFA-RRFJBIMHSA-N 307.394 -0.748 30 20 DBED COC[C@@H](C)n1cc(C(=O)N[C@@H]2CN(CC#N)C[C@@H]2O)c(C)n1 1083460512 LCOMUJRLWGMYIN-HONMWMINSA-N 321.381 -0.303 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2cnn(-c3ccccn3)c2)C1 1083829446 OXSVKCZGDBJURE-OLZOCXBDSA-N 312.333 -0.434 30 20 DBED C#CCN[C@@H]1CC[C@H](CNC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 1086765357 LOXOGOYIXOKGKB-SCRDCRAPSA-N 315.377 -0.127 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)[C@H]1C 1089059152 BEFQZRDDGRDDGA-MNOVXSKESA-N 306.370 -0.468 30 20 DBED N#CCN1C[C@@H](NC(=O)Cn2nccn2)CC2(CCOCC2)C1 1089939501 SZNFPGUTJKLUEX-ZDUSSCGKSA-N 318.381 -0.211 30 20 DBED C#CCN1CC[C@H](NC(=O)c2ccc(=O)n(CCC)n2)[C@@H](O)C1 1090796088 NIHVBPQJFCTUMC-JSGCOSHPSA-N 318.377 -0.549 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(c2nc(C)ns2)C[C@@H]1O 1091152896 LTDYPYGPLITBMC-GDPRMGEGSA-N 310.379 -0.449 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)c3cncnc3O)c3nccn32)C1 1092375310 KFLYXIJUCBQZJJ-LBPRGKRZSA-N 324.344 -0.102 30 20 DBED C#Cc1ccc(C(=O)NCCNc2nccn3nnnc23)nc1 1093764343 HDPRFWXKBJEAMG-UHFFFAOYSA-N 308.305 -0.263 30 20 DBED C#CCN1CC(n2cc(CNC(=O)[C@H]3OCCO[C@H]3C)nn2)C1 1094296967 NWEGGFMPLRKTHV-FZMZJTMJSA-N 319.365 -0.812 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)c3cnc(C)cn3)CC2=O)C1 1094698439 CLLGXPLRDAVAQW-GFCCVEGCSA-N 313.361 -0.567 30 20 DBED N#Cc1nc(=N[C@@H]2CCN(C(=O)C(=O)NCC3CC3)C2)cc[nH]1 1095054519 PBARLDADDDTZRU-LLVKDONJSA-N 314.349 -0.691 30 20 DBED CNC(=O)NCC(=O)N1CC[C@H](N(C)c2ccnc(C#N)n2)C1 1095156606 LZHUUGAYBUZZCU-JTQLQIEISA-N 317.353 -0.686 30 20 DBED CN(CCCNC(=O)[C@H]1CNC(=O)N1)c1ccc(C#N)nc1 1095715926 YIDIUGAMXPCXGP-GFCCVEGCSA-N 302.338 -0.423 30 20 DBED CCC(=O)NCC(=O)N[C@H]1C[C@H](Nc2nccnc2C#N)C1 1097002251 YHWNWOGFNJYJOW-MGCOHNPYSA-N 302.338 -0.066 30 20 DBED C#CCN(CCO)C1CCN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)CC1 1098479085 RCJLTTHZYFUMCV-CABCVRRESA-N 321.421 -0.371 30 20 DBED C[C@@H](CCNC(=O)Cn1ncnn1)Nc1ccc(C#N)nc1 1099554292 ZWARBDDLOFGLMU-JTQLQIEISA-N 300.326 -0.053 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(Cc2cn(C)nc2C)C[C@@H]1O 1099740391 CITKSDHUSLZIMX-GJZGRUSLSA-N 322.409 -0.017 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(Cc2cnnn2CC)C[C@H]1O 1099740637 HLCRXAHYLIAWIV-ZIAGYGMSSA-N 323.397 -0.448 30 20 DBED Cn1cncc1CN1CC[C@H](NC(=O)C#CC2CC2)[C@@H](O)C1 1099824837 ZWWSDDJCDHMEQQ-GJZGRUSLSA-N 302.378 -0.115 30 20 DBED Cn1ncc(CN2CC[C@H](NC(=O)C#CC(C)(C)C)[C@H](O)C2)n1 1099829758 IBXFDKRHRDAPHM-UONOGXRCSA-N 319.409 -0.084 30 20 DBED C=CCCN1CC[C@H](NC(=O)CN(C)C(=O)C2CC2)[C@H](O)C1 1099865072 YLGZJDLYKKQOJM-UONOGXRCSA-N 309.410 -0.018 30 20 DBED C#CCNC(=O)[C@H](C)NC1CC(CNC(=O)c2cn(C)cn2)C1 1100243309 DJUWTFZRCUEPDF-HIFPTAJRSA-N 317.393 -0.344 30 20 DBED CCN(CCNC(=O)[C@@H]1COC(=O)N1)c1ccc(C#N)nn1 1100511460 ZUASBKWBLKLPCF-JTQLQIEISA-N 304.310 -0.601 30 20 DBED N#Cc1ccc(N2CCC[C@H]2CNC(=O)CNC(N)=O)nn1 1100779123 AKUNVIIDKZEUJO-JTQLQIEISA-N 303.326 -0.898 30 20 DBED C[C@]1(C(=O)NCC2CC(NCC(=O)NCC#N)C2)CCCOC1 1100804290 NCQSKIQZZKYSNM-ZUEPYMLJSA-N 322.409 -0.073 30 20 DBED C#CCN1C[C@@H]2CN(C(=O)CCCS(N)(=O)=O)C[C@]2(C)C1 1101345691 AXAPESBMKARTTO-OCCSQVGLSA-N 313.423 -0.531 30 20 DBED CN1C[C@@H](C(=O)N(C)CCNc2ncc(C#N)cc2F)NC1=O 1101903019 MSSKLZUKDANZJV-NSHDSACASA-N 320.328 -0.014 30 20 DBED C#CCN1C[C@@H](C)[C@H](CNC(=O)CCn2ncn(C)c2=O)C1 1102185479 DSYWOPWVVITMQK-CHWSQXEVSA-N 305.382 -0.711 30 20 DBED CCCN(C(=O)C(N)=O)[C@@H]1CCN(c2nccnc2C#N)C1 1102261933 MILFRMMFZJQXLR-SNVBAGLBSA-N 302.338 -0.349 30 20 DBED COC[C@H](C)CC(=O)NC[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1102491362 RRUNPFCGPUVCCA-MGPQQGTHSA-N 324.425 -0.017 30 20 DBED N#Cc1nccc(N2CCC(CCNC(=O)CC(N)=O)CC2)n1 1103678691 HAFPLRLSVZQQPY-UHFFFAOYSA-N 316.365 -0.054 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)[C@@H]1CCN(C)C1 1103973673 JPDXZSACHHFNAG-NWDGAFQWSA-N 302.382 -0.114 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)[C@H]1CCN(C)C1=O 1104158949 FXBONBFYHVHMKQ-GHMZBOCLSA-N 316.365 -0.587 30 20 DBED C[C@@H](CNc1cncc(C#N)n1)N(C)C(=O)CCn1cnnn1 1104647668 LEEKSEMUOJQHDA-JTQLQIEISA-N 315.341 -0.316 30 20 DBED CC#CCN1CC(OC2CCN(C(=O)CNC(N)=O)CC2)C1 1105686538 YOMNHFIQRKYOTB-UHFFFAOYSA-N 308.382 -0.630 30 20 DBED Cn1cnc(C(=O)NC[C@H](O)CN=c2cc[nH]cc2C#N)c1 1105793180 XMIGTHOHBCTKPG-LLVKDONJSA-N 300.322 -0.689 30 20 DBED Cn1nccc1CC(=O)NC[C@H](O)CNc1cnc(C#N)cn1 1105805742 IBGBKUNAPRCJFT-GFCCVEGCSA-N 315.337 -0.787 30 20 DBED Cn1cnc(C(=O)NC[C@@H](O)CNc2ncccc2C#N)n1 1105814976 BVZHWQBYWBIOFR-JTQLQIEISA-N 301.310 -0.715 30 20 DBED Cc1ccc(C(=O)NC[C@H](O)CNc2ccc(C#N)nn2)nn1 1105827260 QOTFVUQIKSERSP-LLVKDONJSA-N 313.321 -0.351 30 20 DBED C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1CNCCOCCO 1105846088 HSRBKATWNPLTKI-CHWSQXEVSA-N 315.439 -0.064 30 20 DBED COCC[C@@H](C)C(=O)NC[C@H](O)CNc1ccc(C#N)nn1 1105860137 PZBRCMNHSOZCIU-ZYHUDNBSSA-N 307.354 -0.090 30 20 DBED Cc1cc(=NC[C@@H](O)CNC(=O)c2ccncn2)c(C#N)c[nH]1 1105930816 GOEUUPASIIWBRB-GFCCVEGCSA-N 312.333 -0.324 30 20 DBED C#CCOCCC(=O)NC[C@@H](O)CNc1cc(COC)ncn1 1105965423 ASTNCQYNILRLSK-ZDUSSCGKSA-N 322.365 -0.448 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)C[C@@H]2CCOC2)C[C@H]1C 1105969848 QAKPVDZSIVESRM-QLFBSQMISA-N 321.421 -0.154 30 20 DBED N#Cc1cccnc1NC[C@@H](O)CNC(=O)C[C@H]1CCNC1=O 1106002069 CMQXTIVXXORIMN-PWSUYJOCSA-N 317.349 -0.632 30 20 DBED CN(C)CCCC(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1 1106076081 OLGSHMGWENEFLA-LLVKDONJSA-N 306.370 -0.999 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@H]1C 1106308920 HYQSGEJAEZKKDA-RBSFLKMASA-N 322.453 -0.240 30 20 DBED C[C@H](CCNc1ccc(C#N)nn1)NC(=O)Cn1nccn1 1106460940 ZNSNNDKDBPPJQU-SNVBAGLBSA-N 300.326 -0.053 30 20 DBED C#CCOCCC(=O)N(CC)CCNc1nccn2nnnc12 1106852674 LNDHTTNGHLNRFV-UHFFFAOYSA-N 317.353 -0.180 30 20 DBED C[C@H](CN(C)c1ccc(C#N)nn1)NC(=O)C[C@@H]1CCNC1=O 1109114047 GWLSHFRVIVEBTG-MNOVXSKESA-N 316.365 -0.185 30 20 DBED N#Cc1cnc(NC[C@H](NC(=O)Cn2cnnn2)C2CC2)cn1 1109775089 ABKVWKIONWNFJO-NSHDSACASA-N 313.325 -0.658 30 20 DBED N#Cc1nccnc1NC1(CNC(=O)[C@@H]2CCC(=O)N2)CC1 1110189085 DYCYTXXXCWBEBZ-VIFPVBQESA-N 300.322 -0.312 30 20 DBED C=CCOCCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1nnn(C)n1 1110909470 HCDIOIGVELQIDW-UTUOFQBUSA-N 306.370 -0.252 30 20 DBED CC#CCN1CCN(C(=O)CCCN2C(=O)CNC2=O)CC1 1113620527 BKYXRLHPFANNEI-UHFFFAOYSA-N 306.366 -0.514 30 20 DBED N#CCN1CCN(C(=O)CCCCCS(N)(=O)=O)CC1 1113753095 VAKCEVYOKBRHHS-UHFFFAOYSA-N 302.400 -0.497 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)Cn3cccn3)[C@H]2C1 1113854838 PGUFYWDTNUYXTI-CXTNEJHOSA-N 315.377 -0.933 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)CCCC(C)=O)[C@@H]2C1 1113863884 CLBXLPATLOEQSZ-BFHYXJOUSA-N 319.405 -0.070 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)Cn3cc(C)cn3)[C@@H]2C1 1113954590 ZNAXQLPZPKPSRT-CHWSQXEVSA-N 317.393 -0.460 30 20 DBED C=CCOCC(=O)NC1[C@@H]2CN(CC(=O)N(C)C3CC3)C[C@@H]12 1114035016 QEFWCRVINPWPPH-CHWSQXEVSA-N 307.394 -0.144 30 20 DBED C=CCOCC(=O)NC1[C@@H]2CN([C@@H]3CCC(=O)NC3=O)C[C@@H]12 1114047788 MXXGQGLZEBNVLR-GMTAPVOTSA-N 307.350 -0.959 30 20 DBED Cc1[nH]nc(C(=O)NC2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]23)c1C 1114061653 UWZKXYPIUCQBCA-GHMZBOCLSA-N 316.365 -0.674 30 20 DBED C=CCNC(=O)NC(=O)CN1C[C@H]2[C@H](NC(=O)C3(C)CC3)[C@H]2C1 1114306308 KMKZTSNHXRAELG-PJXYFTJBSA-N 320.393 -0.155 30 20 DBED CNC(=O)CC(=O)NCC1[C@H]2CN(c3ccncc3C#N)C[C@H]12 1114531033 VJSPYDFCEJSAIE-CHWSQXEVSA-N 313.361 -0.112 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)C3CCN(C)CC3)[C@H]2C1 1114773800 CGGOQINKBOCLAA-FOLVSLTJSA-N 320.437 -0.323 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3ocnc3CC)[C@H]2C1 1114806503 XCGGXNLQGVHEFO-YABSGUDNSA-N 316.361 -0.354 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)c3nc[nH]n3)[C@H]2C1 1114992671 YYSXPYFCBGRIQV-ZNSHCXBVSA-N 304.354 -0.845 30 20 DBED C[C@H](CCCN=c1cc[nH]c(C#N)n1)NC(=O)[C@H]1C[C@H]1C(N)=O 1115075247 BMBTWMSDMFCWFX-MXWKQRLJSA-N 316.365 -0.412 30 20 DBED C#CCNC(=O)C1CCN(C(=O)C(=O)N[C@H](C=C)COC)CC1 1117580276 CEIYOXGHDDDMEY-CYBMUJFWSA-N 321.377 -0.708 30 20 DBED C[C@H](N)C[C@H](C)NC(=O)NCCN/C(O)=C1/N=CC=CC1=O 1118136949 ZLXHAHHQNLPROU-QQAMUFINSA-N 309.370 -0.062 30 20 DBED COC(=O)NCC(=O)NC[C@H](CO)Nc1ccc(C#N)nc1 1121113883 ZICPJWWCQDFCNN-LLVKDONJSA-N 307.310 -0.802 30 20 DBED CN1CC[C@@H](C(=O)NC[C@H](CO)Nc2ccc(C#N)nc2)C1 1121592252 ZJFPMEFYKACLCR-BXUZGUMPSA-N 303.366 -0.206 30 20 DBED Cc1cc(=N[C@H](CO)CNC(=O)Cc2cnoc2)c(C#N)c[nH]1 1122390518 GEHREDZCKCHFSH-ZDUSSCGKSA-N 315.333 -0.197 30 20 DBED Cc1ncc(C(=O)NC[C@@H](CO)Nc2ccc(C#N)nn2)n1C 1122405797 VVOVDWFGOIQUKB-NSHDSACASA-N 315.337 -0.407 30 20 DBED COC[C@@H](OC)C(=O)NC[C@H](CO)Nc1nc(C)ccc1C#N 1122466529 PGNCKZFNCAOBHP-CHWSQXEVSA-N 322.365 -0.188 30 20 DBED N#Cc1cnc(N[C@@H](CO)CNC(=O)CC2=CCOCC2)cn1 1122480304 IDCUZADHPNPXCF-CYBMUJFWSA-N 317.349 -0.026 30 20 DBED COCCCNC(=O)[C@H](C#N)C(=O)[C@@H]1CCCN(C(N)=O)C1 1122708405 VUYWBXVJHJXTEN-GHMZBOCLSA-N 310.354 -0.361 30 20 DBED C=CCCO[C@@H](C)C(=O)NCCNCCN1C(=O)CCC1=O 1124495233 NSUXBKGEYHGYDS-LBPRGKRZSA-N 311.382 -0.178 30 20 DBED C#CCNC(=O)CC(=O)NCCNCc1cc(OC)ccn1 1125977753 FNZSMVSIOVSHDR-UHFFFAOYSA-N 304.350 -0.565 30 20 DBED COCCC(=O)NCCN(CCOC)c1ccc(C#N)nn1 1126159100 WOHADKDPAKVMLN-UHFFFAOYSA-N 307.354 -0.046 30 20 DBED C#CCO[C@H](C)C(=O)NCCNCCc1nnn(C(C)(C)C)n1 1127045589 FOHJLSVTSCWWFS-GFCCVEGCSA-N 322.413 -0.285 30 20 DBED CN(CCOCCN=c1cc[nH]cc1C#N)C(=O)c1nc[nH]n1 1127364591 VEYHHNCWIKHZHF-UHFFFAOYSA-N 315.337 -0.306 30 20 DBED C#CCCN1C[C@H](NC(=O)CNC(=O)CNC(C)=O)CC[C@H]1C 1132131894 LSYAGZPKFTZMSD-TZMCWYRMSA-N 322.409 -0.769 30 20 DBED COCC#CCN1C[C@H](NC(=O)c2nnn(C)n2)CC[C@@H]1C 1132224803 QPTUSEZSBBPEOU-NWDGAFQWSA-N 306.370 -0.557 30 20 DBED COCC#CCN[C@H](C)C[C@@H](C)NC(=O)c1nnc(O)nc1O 1134867494 OKEYKSHRXPGXFH-NXEZZACHSA-N 323.353 -0.581 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)CNC(=O)C(C)(C)C 1150840213 ZYUIEIPTBFELMN-LLVKDONJSA-N 312.414 -0.455 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)Cn1nccc1C 1155540198 IPICEOZXSDTNEV-CYBMUJFWSA-N 320.397 -0.342 30 20 DBED C=CCN(CC=C)C(=O)CNCCCNC(=O)c1cnn[nH]1 1161709711 BCONGWDWVLKEIR-UHFFFAOYSA-N 306.370 -0.285 30 20 DBED C#CCN1CC=C(CCNC(=O)CN2C(=O)CN(C)C2=O)CC1 1161839255 IQTIWGBZJFMVCA-UHFFFAOYSA-N 318.377 -0.348 30 20 DBED COCC1(CNC(=O)Cn2cncn2)CCN(CC#N)CC1 1162599542 WESCRUXIGFLZPC-UHFFFAOYSA-N 306.370 -0.354 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)Cn1ccc(C)n1 1166913234 YLGGNJMBKBUJDP-CYBMUJFWSA-N 307.398 -0.022 30 20 DBED C=CCOCCNCCCNC(=O)CN1CCC(=O)NC1=O 1170352744 JBDMWVJDUTWNAB-UHFFFAOYSA-N 312.370 -0.773 30 20 DBED C#CCNCCCC[C@H](C)NC(=O)CNC(=O)CNC(C)=O 1171561827 AWVMUUIVMIELAW-LBPRGKRZSA-N 310.398 -0.864 30 20 DBED C#CCCN[C@H]1CCN(C(=O)CN2CCN(C)C(=O)C2)[C@H]1C 1179024943 DCLKXBIJGBDLBN-KBPBESRZSA-N 306.410 -0.637 30 20 DBED CC(C)[C@@H](O)C(=O)N1C[C@@H](C)[C@](C)(CNCC(=O)NCC#N)C1 1181363157 WGSIAXLPYCHAEG-XNRPHZJLSA-N 324.425 -0.283 30 20 DBED C[C@H]1CN(C(=O)C(F)F)CC[C@H]1CNCC(=O)NCC#N 1183662451 KOJNWPOGCLTSNG-UWVGGRQHSA-N 302.325 -0.035 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)c2cn(C)nc2OC)C1 1184806954 MOOBSKLAABIUGG-LLVKDONJSA-N 321.381 -0.465 30 20 DBED C#CCNC[C@H]1CCN(C(=O)CCCS(N)(=O)=O)C[C@H]1C 1185040240 NNCVAMIETLRZLI-CHWSQXEVSA-N 315.439 -0.238 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CCCCC(=O)N2)C1 1185599593 BFFGZUMTBFPBIY-CHWSQXEVSA-N 322.409 -0.462 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](NCC(=O)NCC#N)C1 1185758802 KPQWCRBMIAPASZ-UPJWGTAASA-N 306.366 -0.592 30 20 DBED C=CCNC[C@H]1CN(C(=O)Cn2cnnn2)CC12CCOCC2 1186245023 FAYVGHZSESQELN-ZDUSSCGKSA-N 320.397 -0.296 30 20 DBED COCc1nc(C(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)co1 1186673630 QVMCDAONQFDYTM-SNVBAGLBSA-N 321.337 -0.735 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)c2cnc(OC)nc2)C1 1186755028 QTLLLHHQZVNTIV-CYBMUJFWSA-N 304.350 -0.061 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)C[C@](C)(O)C=C)C1 1189918404 PYSWZLVKRRCATQ-XJKSGUPXSA-N 307.394 -0.404 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)[C@H]2OCCO[C@H]2C)C1 1190734469 PQDBIZLXIDISBF-GUTXKFCHSA-N 323.393 -0.928 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(CC(=O)N(C)C(C)C)C[C@H]1O 1191770185 AAUWFRVCKMGTSC-CHWSQXEVSA-N 313.398 -0.783 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)[C@]2(F)CCOC2)C1 1191949280 PWOIERGAPOGIAZ-WFASDCNBSA-N 311.357 -0.603 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)Cc2cncnc2)C1 1192494755 JIBOBWWWBOVJIR-ZIAGYGMSSA-N 306.366 -0.617 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(Cc2nncs2)C[C@H]1O 1192530240 LXUFWOQMBWIMHA-BREBYQMCSA-N 312.395 -0.474 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@H](OC)c2cnn(C)c2)C1 1195030157 LKWLTCVWHVFYMY-MGPQQGTHSA-N 306.366 -0.708 30 20 DBED COCC#CCN1CCCN(C(=O)CS(C)(=O)=O)CC1 1195053122 BDOWVJHVHXYNOB-UHFFFAOYSA-N 302.396 -0.785 30 20 DBED COCC#CCN1CCCN(C(=O)CO[C@H]2CCOC2)CC1 1195806991 RDRJBZBWZCAYQV-HNNXBMFYSA-N 310.394 -0.024 30 20 DBED C#CCNC(=O)[C@H](C)N1CCCN(C(=O)CCCC(N)=O)CC1 1198379385 OTUSRGAMAABXFT-ZDUSSCGKSA-N 322.409 -0.686 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@H]1CN(C(=O)C(C)C)CCCO1 1199875324 FBKIWLHYRIUGSF-KGLIPLIRSA-N 309.410 -0.013 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)c2nnn(C)c2C)CCCO1 1200182198 NZKBYFGZKOIPSW-CYBMUJFWSA-N 305.382 -0.032 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCCN(C(=O)c2ccnnc2)C1 1209809799 YLFZZPFQFVLKJC-OCCSQVGLSA-N 315.377 -0.191 30 20 DBED N#CCNC(=O)CN[C@H]1CCCN(C(=O)CCCCC(N)=O)C1 1210576400 PUCUQGAYMXSWFY-LBPRGKRZSA-N 323.397 -0.748 30 20 DBED C#CCCN[C@H]1CCCN(C(=O)CC[C@H]2NC(=O)NC2=O)C1 1210982995 BOKULDCELWUKEW-NWDGAFQWSA-N 306.366 -0.422 30 20 DBED C=CCOCCN1C[C@@H](NC(=O)Cn2cccn2)[C@H](OC)C1 1211842624 XOGVSZLQVBXBBB-ZIAGYGMSSA-N 308.382 -0.099 30 20 DBED C#CCCN1C[C@@H](NC(=O)[C@@H](CC(C)C)C(N)=O)[C@H](OC)C1 1214002141 XJMQGLKAHLYLEO-BFHYXJOUSA-N 309.410 -0.027 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1C 1214241188 BDEIYXFDBUIZCG-VXGBXAGGSA-N 302.396 -0.883 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@H]1C 1214343830 HOLFCEGOBZJRTG-MCIONIFRSA-N 308.426 -0.181 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)[C@@H](C)n2cncn2)C[C@H]1C 1214454236 CWZAKBHOXIZRMA-MGPQQGTHSA-N 305.382 -0.075 30 20 DBED C#CCCN[C@@H]1CN(C(=O)CCc2nnc(O)nc2O)C[C@H]1C 1215044649 JALPAVOQRIURRQ-ZYHUDNBSSA-N 319.365 -0.325 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2cnon2)C[C@H]1C 1216016797 RDVUOGRQLOGPTP-CKYFFXLPSA-N 305.338 -0.742 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1ccc[nH]1 1217269978 FDLYFTFTOVQCQD-UONOGXRCSA-N 316.361 -0.711 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)CC[C@@H](C)OC)C1 1219500212 UDBSRIWLGGPYFP-UPJWGTAASA-N 313.398 -0.735 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2nc(C)oc2C)C[C@@H]1O 1219605064 IDLRGUSAQDECIK-DFBGVHRSSA-N 321.377 -0.009 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)[C@H](C)NC(=O)CC)C1 1219682047 BGUCRIMAPSWOGT-XQQFMLRXSA-N 313.398 -0.735 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)CCCS(C)(=O)=O)C1 1220536517 GKYLRNNIWNVQJF-NEPJUHHUSA-N 304.412 -0.451 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C2(CC)CCCC2)C1 1220665724 AYYGAOZDKUTTHE-KGLIPLIRSA-N 321.421 -0.133 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)CNC(=O)c2cccs2)C1 1220902648 SLFOOTLQLAMYNF-NEPJUHHUSA-N 321.402 -0.338 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2cnnn2CC)C[C@@H]1O 1221143608 KBHXSLUBCPHXNG-BNOWGMLFSA-N 323.397 -0.450 30 20 DBED COCC#CCN1CCC(CNC(=O)[C@@H]2COC(=O)N2)CC1 1223013482 ZRASBGSPKPLZCK-ZDUSSCGKSA-N 309.366 -0.427 30 20 DBED C#CCN1CCC(CNC(=O)CNC(=O)C2CCOCC2)CC1 1224884512 XNPXAKUOYYCANY-UHFFFAOYSA-N 321.421 -0.009 30 20 DBED C=CCN[C@@H]1CCCC[C@H]1NC(=O)[C@@H](CCC(N)=O)NC(C)=O 1229150364 GTUWQLRDOZOIIC-MGPQQGTHSA-N 324.425 -0.040 30 20 DBED COCC#CCN1CCC(NC(=O)[C@@H]2CCCN2C(N)=O)CC1 1230442703 SCHINRGGSDNDLR-AWEZNQCLSA-N 322.409 -0.240 30 20 DBED CC[C@@H](C)OCC(=O)N(C)C[C@H]1CCN1CC(=O)NCC#N 1233714299 BNRMPRVJSPNUEI-CHWSQXEVSA-N 310.398 -0.026 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@H]1CN(C)C(=O)c1cncnc1 1233836846 KLESTCVPMBOHDO-OCCSQVGLSA-N 315.377 -0.239 30 20 DBED N#Cc1ncn(CC(=O)NCCCN2CCCC2=O)c1C#N 1321862717 DLDBCCQJXYYSCS-UHFFFAOYSA-N 300.322 -0.245 30 20 DBED C=CCSCCNC(=O)C(=O)N[C@H](C)CS(C)(=O)=O 1322107201 KDECZTXSHHKGMX-SECBINFHSA-N 308.425 -0.429 30 20 DBED C#CCCCNC(=O)C(=O)NCCS(=O)(=O)CC1CC1 1322982765 YLGLLCUETQXKBO-UHFFFAOYSA-N 300.380 -0.543 30 20 DBED C=CCN(CC=C)C(=O)C(=O)N1CCO[C@@H](CC(=O)OC)C1 1324772077 JXCQOLAJGCQQOE-LBPRGKRZSA-N 310.350 -0.023 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N1CC[C@@](C)(C(=O)OC)C1 1325276357 ZQZAJIDOKSYBTD-MRXNPFEDSA-N 304.346 -0.117 30 20 DBED Cn1cc(N2CC[C@@H](NC(=O)[C@H](N)CCCC#N)C2=O)cn1 1325791940 SEDDJFAGTIFXPI-VXGBXAGGSA-N 304.354 -0.337 30 20 DBED COC(=O)C1(NC(=O)C#CC(C)C)CCS(=O)(=O)CC1 1328635534 GIALRYZKUKURNS-UHFFFAOYSA-N 301.364 -0.118 30 20 DBED C[C@H](O)CN(C(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1)C1CC1 1329458389 RHTZOUDVGZKTSO-SMDDNHRTSA-N 320.393 -0.443 30 20 DBED CC(C)(C)CN(CCCO)C(=O)C(=O)N1CCO[C@@H](C#N)C1 1331071945 RRXLTYNLDXCOQX-LBPRGKRZSA-N 311.382 -0.006 30 20 DBED Cc1c([C@@H](C)NC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)cnn1C 1332204225 URWBLTJKKLOEFJ-BMIGLBTASA-N 319.365 -0.217 30 20 DBED C=CCN(C(=O)C(=O)NCc1nnnn1C1CC1)[C@H](C)COC 1334129348 VKIJSSPCSQTORI-SNVBAGLBSA-N 322.369 -0.326 30 20 DBED CC(C)N1CC[C@@H](NC(=O)C(=O)N2CCC[C@H](C#N)C2)C1=O 1334640165 JMDXLWKGTSAVRD-VXGBXAGGSA-N 306.366 -0.126 30 20 DBED C#CCSCCn1nnnc1N1CCC(NC(=O)NC)CC1 1335469656 QFJHRZCTVJHWQK-UHFFFAOYSA-N 323.426 -0.063 30 20 DBED C=CCS(=O)(=O)CCn1nnnc1N1C[C@@H]2[C@H](C1)C2(F)F 1335897644 YRCBSBULCRQJGO-DTORHVGOSA-N 319.337 -0.025 30 20 DBED C=C[C@H](CO)NC(=O)C(=O)Nc1ccc(C(=O)N(C)C)cc1 1347039078 ZVNQENKUZGOPLV-LLVKDONJSA-N 305.334 -0.010 30 20 DBED CNC[C@H](C)CNC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1353046529 ADKYAXBJMZVUPC-WCQYABFASA-N 307.398 -0.843 30 20 DBED C[C@@H](NC(=O)Cn1cc(C#N)c(O)nc1=O)C(=O)OC(C)(C)C 1362217069 SLQVMLBTDBXAPI-MRVPVSSYSA-N 322.321 -0.333 30 20 DBED CC(C)C(=O)NC1CCN(c2[nH]c(=O)n(C)c(=O)c2C#N)CC1 1364134792 RNPSWZVYKSOOEP-UHFFFAOYSA-N 319.365 -0.314 30 20 DBED COC(=O)[C@H]1C[C@H](O)CN(C(=O)Nc2nn(C)cc2C#N)C1 1365041707 YSXQYWPJPQPALM-WPRPVWTQSA-N 307.310 -0.321 30 20 DBED C=C(Cl)CN1CC[C@@](O)(CNC(=O)[C@H](C)NC(N)=O)C1 1368265431 NRWUXHNLTFKPDF-JOYOIKCWSA-N 304.778 -0.651 30 20 DBED CN(C[C@@H](O)CNCc1cnn(C)c1)C(=O)c1cc(C#N)c[nH]1 1379758522 FFYRKJYYFDKNFN-ZDUSSCGKSA-N 316.365 -0.157 30 20 DBED C[C@@H](C#N)C(=O)NCCN1CCN([C@@H]2CCCN(C)C2=O)CC1 1389412531 SYBZGQXACFJSLG-UONOGXRCSA-N 321.425 -0.499 30 20 DBED CC(C)S(=O)(=O)CC(=O)NC[C@@H]1CCN1C(=O)[C@@H](C)C#N 1393330174 TVCNTPKZKBZDMW-QWRGUYRKSA-N 315.395 -0.314 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]1CN(C)C(=O)CCc1nc[nH]n1 1396478210 OKAHXJWLHUGIAY-MNOVXSKESA-N 304.354 -0.044 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)CCc2cnc[nH]2)C1 1406262778 KJVRRLQJHRGTSB-MVWJERBFSA-N 305.338 -0.810 30 20 DBED Cn1c(=O)[nH]c(N2CCC(Cn3cncn3)CC2)c(C#N)c1=O 1412885482 QTGXOENOBBQDLT-UHFFFAOYSA-N 315.337 -0.547 30 20 DBED Cn1c(=O)[nH]c(N[C@H](Cc2ccccc2)C(N)=O)c(C#N)c1=O 1413885014 HMUANZYTNLMNNY-LLVKDONJSA-N 313.317 -0.546 30 20 DBED C[C@@H](CNC(=O)CCC(=O)N1CCOCC1)NC(=O)[C@@H](C)C#N 1416940372 NXJJJBHEAQGQRX-RYUDHWBXSA-N 324.381 -0.594 30 20 DBED CCN(CCC#N)C(=O)CN1CCC[C@@H](NC(=O)COC)C1 1419090739 RKLCTMGPSIWMOX-CYBMUJFWSA-N 310.398 -0.024 30 20 DBED CC(=O)NCC(=O)NC[C@@H](C)N(C)C(=O)c1cc(C#N)c[nH]1 1424056661 TVHLHOYSZVOKFQ-SECBINFHSA-N 305.338 -0.401 30 20 DBED COC[C@H](NC(=O)NCCn1cc(C#N)c(O)nc1=O)C1CC1 1427232558 MWIMMSGXISRGAN-NSHDSACASA-N 321.337 -0.455 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(NC(=O)[C@H](C)S(C)(=O)=O)CC1 1429681568 FYHXVNBIOKADLV-UWVGGRQHSA-N 315.395 -0.314 30 20 DBED CCN(CCC#N)C(=O)CN1CC[C@H]1CNC(=O)[C@H](O)C(C)C 1439527448 PBMMRCJEWZWQGL-DZGCQCFKSA-N 324.425 -0.044 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)CCN3CCOCC3)[C@H]2C1 1447707356 NFRIFLCRPJSVFF-RMRHIDDWSA-N 320.393 -0.559 30 20 DBED CCO[C@@H]1C[C@@H](NC(=O)Cn2cc(C#N)c(O)nc2=O)[C@H]1OC 1448122438 SLLBKSKWNYXHAK-CKYFFXLPSA-N 322.321 -0.871 30 20 DBED C=C(Cl)CN[C@@H](C)[C@H]1CN(C(=O)CS(C)(=O)=O)CCO1 1448470027 RMFYRGPDDGOWMP-WDEREUQCSA-N 324.830 -0.011 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCN(C)C(=O)c1ccc(C(N)=O)cn1 1452170658 BWEIZTHZVONLBS-JTQLQIEISA-N 317.349 -0.129 30 20 DBED CNC(=O)NCCC(=O)N1CCC[C@H](N(C)C(=O)[C@H](C)C#N)C1 1454976643 AUBMVYRJVHEXEC-NEPJUHHUSA-N 323.397 -0.085 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)CCn2cnnn2)CCCC1 1457029094 CWJRMAUHLDKVKK-LLVKDONJSA-N 319.369 -0.232 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CCN(C(=O)CS(C)(=O)=O)C1 1495154748 YPXKIQMJMSGHAM-VHSXEESVSA-N 301.368 -0.845 30 20 DBED N#Cc1ccc(CNS(=O)(=O)c2cc(C(=O)O)[nH]n2)nc1 1571096003 IKOQBFYQIJOIPT-UHFFFAOYSA-N 307.291 -0.147 30 20 DBED C=C(CCC(=O)O)C(=O)N(C)[C@H]1CCN(S(C)(=O)=O)C1 1573325804 OOCAMMXDMDWWDX-JTQLQIEISA-N 304.368 -0.100 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H]2CC[C@H](C1)N2C(=O)CNC(=O)O 1573367786 AGTVDTSKEWJSOZ-SDDRHHMPSA-N 324.381 -0.380 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](Nc2cnc(-c3nn[nH]n3)cn2)C1 1573570047 IWLIVXNIYVQEQQ-DTWKUNHWSA-N 313.325 -0.171 30 20 DBED CC#CC[C@H](N)C(=O)N[C@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 1574971352 CMXZPKIOKPDISY-OBJOEFQTSA-N 314.407 -0.420 30 20 DBED CN1C[C@H](CCNc2cnc(-c3nn[nH]n3)c(C#N)n2)CC1=O 1579319804 CEPAMIWXOLHTOH-MRVPVSSYSA-N 313.325 -0.191 30 20 DBED Cn1ncc(CN)c1CN(CCC#N)CCN1CCOCC1 1580002184 IXEDWBOFFHQATM-UHFFFAOYSA-N 306.414 -0.073 30 20 DBED N#C[C@H]1CNCC12CC(C(=O)NCCCN1C(=O)CNC1=O)C2 1580042959 FQRAMYSRYZQQMJ-VTWZXRTESA-N 319.365 -0.816 30 20 DBED C#C[C@H](CO)NS(=O)(=O)c1cccc(C)c1-c1nn[nH]n1 1588328042 XKAKYBXWMAIDPW-SECBINFHSA-N 307.335 -0.552 30 20 DBED C#CCN(CC(=O)O)C(=O)[C@H](C)N1C(=O)NC2(CCCC2)C1=O 1588397960 ZSXWBMBWEOPDNX-JTQLQIEISA-N 321.333 -0.214 30 20 DBED C=C(C)CCNC[C@H](O)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 1588424855 OSTJVQMUYZMKOH-NSHDSACASA-N 319.369 -0.159 30 20 DBED C=C(C)CN(CC)C(=O)CN1[C@@H](C(=O)O)CCS1(=O)=O 1588562699 FTPXJHNQDXFRCZ-SNVBAGLBSA-N 304.368 -0.100 30 20 DBED C=C[C@H](CO)NC(=O)C(=O)Nc1cccc(OCC(=O)O)c1 1588919542 CSHKJJHGLIDGFM-SECBINFHSA-N 308.290 -0.248 30 20 DBED COC(=O)[C@@H]1[C@H](C(=O)O)[C@H]2CC[C@H]1N2CC(=O)NCCC#N 1598743188 YGIDWHADEGHKNO-IQIPOGNMSA-N 309.322 -0.647 30 20 DBED Cc1c(C(=O)O)csc1NC(=O)C(=O)NCC(=O)NCC#N 1600001123 QJWMUGUARBLIKT-UHFFFAOYSA-N 324.318 -0.551 30 20 DBED N#Cc1cccc(-n2ccc(C(=O)N[C@@H](CO)C(=O)O)n2)c1 1601114495 BNRSJLPNPCZZHX-LBPRGKRZSA-N 300.274 -0.081 30 20 DBED N#Cc1cccc(NC(=O)C(=O)N2CCC[C@H](O)[C@H]2C(=O)O)n1 1601123055 YNWKOUPEGORYHD-ONGXEEELSA-N 318.289 -0.672 30 20 DBED C=CCCC[C@H](NC(=O)Cn1cc(C#N)c(O)nc1=O)C(=O)O 1602865718 PRHCUWMDSXDRGE-JTQLQIEISA-N 320.305 -0.254 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@H](N=c2cc[nH]c(-c3nn[nH]n3)n2)C1 1602984339 WZBKMVRIDXQCOM-IWSPIJDZSA-N 313.325 -0.703 30 20 DBED Cc1nc(-c2nn[nH]n2)c(C#N)n1CCN1CCCS1(=O)=O 1606017468 IIGADSNPPHPLIJ-UHFFFAOYSA-N 322.354 -0.721 30 20 DBED CS(=O)(=O)N1CC[C@@H](NC(=O)N2CC[C@@](O)(CC#N)C2)C1 1645898272 DDKBNJSIACHHRJ-PWSUYJOCSA-N 316.383 -0.920 30 20 DBED COCCn1c(CO)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1650432274 ZMZGNXATLQFLRG-LBPRGKRZSA-N 306.370 -0.407 30 20 DBED C#CCCCCC(=O)N[C@H]1CCN(C(=O)Cn2cnnn2)[C@@H]1C 1701723660 PJFQQXISRIEHNT-OLZOCXBDSA-N 318.381 -0.028 30 20 DBED C#CCCCC(=O)N1CC[C@H](N[C@H](C)C(=O)NC(=O)NC)C1 1713147076 NFSIJFHDDACWDQ-NEPJUHHUSA-N 308.382 -0.176 30 20 DBED Cn1nnnc1CN1CCC[C@@H](NC(=O)CSCC#N)C1 1714919010 WCVWAGQUIOMOOF-SNVBAGLBSA-N 309.399 -0.453 30 20 DBED CC#CCN1CCN(CCNC(=O)CN2CCCC2=O)CC1 1752359905 FSTKPEQEBNVDOX-UHFFFAOYSA-N 306.410 -0.634 30 20 DBED Cc1conc1C(=O)NC[C@@H](NCC(=O)NCC#N)C1CC1 1752490805 LRHMFKXZWIIAOW-LLVKDONJSA-N 305.338 -0.279 30 20 DBED C#CCNC(=O)CN[C@@H](C)CNC(=O)Cc1cnccc1OC 1752883069 GMYZJNOBFVNNNR-LBPRGKRZSA-N 318.377 -0.524 30 20 DBED C=CCNC(=O)NC(=O)CN[C@H](C)CNC(=O)c1ncccn1 1752908108 DFZGAYXFGITFBY-SNVBAGLBSA-N 320.353 -0.804 30 20 DBED CN(CCNC(=O)c1coc(CC2CC2)n1)CC(=O)NCC#N 1753069942 NWQWIMQMRHEUDY-UHFFFAOYSA-N 319.365 -0.072 30 20 DBED N#CCNC(=O)CN1CC[C@@H](CNC(=O)c2ncccc2O)C1 1753122043 HLRHZNHNUFRQAT-NSHDSACASA-N 317.349 -0.521 30 20 DBED C#CCNC(=O)CN(CCCNC(=O)c1nc[nH]n1)C(C)C 1753293760 UCNQUZLLJQLZTI-UHFFFAOYSA-N 306.370 -0.616 30 20 DBED N#CCNC(=O)CN1CC(NC(=O)c2cccc3c2OCC3)C1 1753387785 XFUMRPKRSQJERO-UHFFFAOYSA-N 314.345 -0.325 30 20 DBED C=CCNC(=O)CN1CCO[C@H](CNC(=O)c2cn(C)cn2)C1 1753650348 RDWQHHHYLKSRKS-GFCCVEGCSA-N 321.381 -0.847 30 20 DBED C#CCNC(=O)CNC[C@@H](C)N(C)C(=O)[C@H]1CCCCN1C 1753698858 LWRFCOZWWRPYNA-ZIAGYGMSSA-N 308.426 -0.343 30 20 DBED C=C(C)CCNC[C@@H](O)CNC(=O)Cn1c(C)cc(C)nc1=O 1753931926 DQBOYJBGPVNXDX-CQSZACIVSA-N 322.409 -0.107 30 20 DBED C#CCCCC(=O)NC/C=C/CN[C@@H](C)C(=O)NC(=O)NC 1754116695 VDQMOCQWKUVSBD-GUOLPTJISA-N 308.382 -0.104 30 20 DBED N#CCNC/C=C/CNC(=O)[C@@H]1COCCN1CC(F)F 1754153722 LSGXZTXONWARII-GXFZAYBSSA-N 302.325 -0.262 30 20 DBED CCn1nc(C)c(C(=O)N[C@H](C)CN(C)CC(=O)NCC#N)n1 1754334813 FPEQQGBFCNCJBS-SNVBAGLBSA-N 321.385 -0.704 30 20 DBED C#CCNC1(CNC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)CC1 1754525709 AVDOKLOAMWCXJL-CABCVRRESA-N 321.421 -0.262 30 20 DBED C#CCCN1CC[C@](O)(CNC(=O)[C@@H](C)N2C(=O)CCC2=O)C1 1754755460 XCUMGIBILWNMAS-WBMJQRKESA-N 321.377 -0.900 30 20 DBED N#CCNC(=O)CN1C[C@H]2CN(C(=O)Cc3ccc[nH]3)C[C@H]2C1 1754848274 YNOLGPUOTSGOCD-BETUJISGSA-N 315.377 -0.413 30 20 DBED C#CCCN(C)CCCN(C)C(=O)Cn1nc(C)n(C)c1=O 1755044957 AEZJUQGCYHTXAF-UHFFFAOYSA-N 307.398 -0.306 30 20 DBED CC(C)=CC(=O)N[C@@H]1COC2(C1)CN(CC(=O)NCC#N)C2 1755058824 LIACTWGUHYTAOV-LBPRGKRZSA-N 306.366 -0.448 30 20 DBED CC(C)C#CC(=O)N[C@@H]1COC2(C1)CN(CCn1cncn1)C2 1755060773 ATIBAUGTWBTTBF-AWEZNQCLSA-N 317.393 -0.103 30 20 DBED COCC#CCN1CC[C@H](NC(=O)CS(C)(=O)=O)C[C@@H]1C 1755157404 IAAYXYBYBAMSNN-STQMWFEESA-N 316.423 -0.350 30 20 DBED CN(CC(C)(C)CNCC#N)C(=O)CN1CCCS1(=O)=O 1755282506 VJAIXRISXXIBBJ-UHFFFAOYSA-N 316.427 -0.380 30 20 DBED COCC#CCN[C@H](C)CN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)C1 1755604593 YLZSDYUYBSIRFL-MCIONIFRSA-N 309.410 -0.026 30 20 DBED CCN(CC)S(=O)(=O)CC(=O)N(C)C[C@@H](C)NCC#N 1755608165 ZMZAMGRAFQSTCF-LLVKDONJSA-N 304.416 -0.382 30 20 DBED CCn1cnc(C(=O)N2CC[C@H](NCC(=O)NCC#N)[C@H]2C)c1 1755663764 OCHSHCONJLZMJL-NEPJUHHUSA-N 318.381 -0.265 30 20 DBED C#CCN1CCC(C(=O)N[C@@H]2CC[C@H](CNCC(N)=O)C2)CC1 1755749225 GNLKPFPVXHKUOZ-DZGCQCFKSA-N 320.437 -0.309 30 20 DBED C#CCNC(=O)CN(C)C[C@H](O)CN(C)C(=O)[C@@H](C)C1CCC1 1755802166 QMIAYTMOIASAHQ-ZFWWWQNUSA-N 323.437 -0.077 30 20 DBED C#CCN1CCC(C(=O)NC[C@@H](CO)NC(=O)[C@@H]2C[C@H]2C)CC1 1756526874 AEDAXRZXLJNRDP-VHDGCEQUSA-N 321.421 -0.419 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H](CO)CNC(=O)c1ccsn1 1756530159 AMRFEESOIWSYJY-UWVGGRQHSA-N 311.363 -0.612 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](CO)NC(=O)c1ccncc1 1756550138 OOUGTPZEWKKJLD-MCIONIFRSA-N 319.361 -0.120 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H](O)CN(C)C(=O)c1cnco1 1756671017 RNHQCKSJONHAKF-MNOVXSKESA-N 309.322 -0.738 30 20 DBED C#CC(=O)N1CCO[C@]2(CCN(C(=O)Cn3ccnc3C)C2)C1 1782779999 XYJPJHMHMFADKO-INIZCTEOSA-N 316.361 -0.345 30 20 DBED C=CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC(=O)NC)C[C@@H]21 1791272950 JIKBABSPQXZCFD-AVGNSLFASA-N 323.393 -0.322 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1coc(C)n1 1794772315 VOOKYYLCAIDWDI-GNXNZQSNSA-N 303.318 -0.181 30 20 DBED C#CCNS(=O)(=O)c1ccc(C(=O)N(C)CC(N)=O)cc1 46979161 FPHUCTKFUCKFCU-UHFFFAOYSA-N 309.347 -0.845 30 20 DBED CNC(=O)CN1CCN(C(=O)CNc2ccc(C#N)cc2)CC1 66862344 ILBZINJQYLEVFQ-UHFFFAOYSA-N 315.377 -0.140 30 20 DBED C#CCN1CCN(C(=O)CN2CCCC[C@@H]2C2OCCO2)CC1 81670458 SCNBRPAXVXSJRR-OAHLLOKOSA-N 321.421 -0.009 30 20 DBED C=CCNC(=O)CNC(=O)N1CCCN(C(=O)C2CC2)CC1 157676969 IFVPUFRBQCHABK-UHFFFAOYSA-N 308.382 -0.058 30 20 DBED Cc1nc(S(=O)(=O)NCCC(=O)NC[C@H](C)C#N)cn1C 171845182 HWRLDYVYOXIJQX-SECBINFHSA-N 313.383 -0.327 30 20 DBED C=CCNC(=O)NC(=O)CN1CCN(CC(C)(C)O)C[C@@H]1C 189418251 WEYBJLMDWPUESI-LBPRGKRZSA-N 312.414 -0.225 30 20 DBED C/N=C(/NCCS(C)(=O)=O)N1CCC[C@H](CC(N)=O)C1 261740498 KPOZLUHWWIOITA-SNVBAGLBSA-N 304.416 -0.806 30 20 DBED C=CCN1CCC(NC(=O)NCCCN2C(=O)CNC2=O)CC1 264509825 FHWPMNCGCFXDKK-UHFFFAOYSA-N 323.397 -0.122 30 20 DBED C=CCOCCCC(=O)N1CCS(=O)(=O)C[C@H]1C(=O)OC 274105458 SYTFMQVFASFSAL-NSHDSACASA-N 319.379 -0.232 30 20 DBED N#CCCCS(=O)(=O)N1CC[C@](CC(=O)O)(C(=O)O)C1 275141303 QFWFTHSNNJAXTM-LLVKDONJSA-N 304.324 -0.129 30 20 DBED C=CCOc1cccc(NC(=O)C(=O)NCC(=O)NCCO)c1 275823995 QMPRNHATINSALN-UHFFFAOYSA-N 321.333 -0.585 30 20 DBED C#Cc1cccc(NC(=O)CNC(=O)COCC(=O)OC)c1 287440314 HGVLITPIUXAEGF-UHFFFAOYSA-N 304.302 -0.088 30 20 DBED CN1C[C@@H](/N=C(/O)CCN2CCCS2(=O)=O)CCC1=O 329423683 IHYOLSNUWWDFLT-JTQLQIEISA-N 303.384 -0.011 30 20 DBED C=CCN(CCN1C(=O)CN=C1O)[C@@H]1CCS(=O)(=O)C1 330365517 DIDQIASTYSDPPG-SNVBAGLBSA-N 301.368 -0.582 30 20 DBED CS(=O)(=O)c1ccc(N=C(O)N2C[C@@H](O)C[C@@H]2CO)cn1 330651471 IEQDKYHUOSBNPB-ZJUUUORDSA-N 315.351 -0.542 30 20 DBED COc1ccc(C(=O)N(C)C)cc1N=C(O)N1C[C@H](O)[C@H](O)C1 331204120 CKVVSHWWSAQGAG-TXEJJXNPSA-N 323.349 -0.020 30 20 DBED CCn1cnnc1CNS(=O)(=O)N(CCC#N)CCOC 336917189 OAGIOJMPTZGAHO-UHFFFAOYSA-N 316.387 -0.506 30 20 DBED CCOCCOC[C@H](O)CNS(=O)(=O)N(C)C[C@H](C)C#N 337179437 LLYKALHDXOUWKX-VXGBXAGGSA-N 323.415 -0.674 30 20 DBED CCOCCOC[C@H](O)CNS(=O)(=O)N(C)[C@@H](C)CC#N 337832574 SUCUATQFSVDNMR-NWDGAFQWSA-N 323.415 -0.531 30 20 DBED N#Cc1ccc(C[C@H](C#N)C(=O)NCCC(=O)NC(N)=O)cc1 350114062 JELQIQSZWODFBW-GFCCVEGCSA-N 313.317 -0.058 30 20 DBED CN(C)c1noc(CNC(=O)CNc2ccc(C#N)cn2)n1 356859691 CJTJZPDYPDRWHY-UHFFFAOYSA-N 301.310 0.131 30 20 DBED Cn1c(N2C[C@@H]3[C@@H](C2)[C@H]2CC[C@H]3O2)c(C#N)c(=O)n(C)c1=O 374069761 ZSIGGPYFTZXEQZ-DDHJBXDOSA-N 302.334 -0.431 30 20 DBED C=CCn1cc(CNC(=O)N[C@H](C)CN2CCOCC2)nn1 425408499 TZAAMAUQKFRSBL-GFCCVEGCSA-N 308.386 -0.016 30 20 DBED CCOC(=O)[C@H](CO)NS(=O)(=O)c1ccc(C#N)s1 435443459 ODEBNNHLLIPXDF-QMMMGPOBSA-N 304.349 -0.178 30 20 DBED N#Cc1ccc(NCCc2nc[nH]n2)nc1NCCc1nc[nH]n1 436404170 DGZHDJXXCCAFPN-UHFFFAOYSA-N 324.352 0.499 30 20 DBED Cc1c(C(=O)N[C@H](C)CC#N)cnc2c1c(=O)n(C)c(=O)n2C 438830377 NTCFVFHOCMHUBM-MRVPVSSYSA-N 315.333 -0.027 30 20 DBED COCCN(CC#N)C(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 457184584 SCONKSKEUNUQBB-IMIFBBOLSA-N 317.345 -0.208 30 20 DBED C#CCNC(=O)CCN1CCC[C@H](N2CCCS2(=O)=O)C1 491165477 LGBSWMFZTXDJHL-ZDUSSCGKSA-N 313.423 -0.374 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)c2ccn(CC)n2)CC1 491483664 DFZSNIXBFYYIAQ-UHFFFAOYSA-N 317.393 -0.200 30 20 DBED C#C[C@H](CCC)NC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 491753938 QPCWYSAWXGEVDD-GFCCVEGCSA-N 320.393 -0.079 30 20 DBED COC(=O)CN1CCN(S(=O)(=O)CC2(C#N)CC2)CC1 494418550 OKWCUNRFPUAVEA-UHFFFAOYSA-N 301.368 -0.589 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)OC[C@H]2CNC(=O)O2)cc1 497301166 ZLAUVFQWQUFUIB-LLVKDONJSA-N 303.274 -0.060 30 20 DBED CNS(=O)(=O)N1CCN(C(=O)c2ncc(C#N)cc2C)CC1 518989386 MZLRNEKYLFBISN-UHFFFAOYSA-N 323.378 -0.516 30 20 DBED COC(=O)CNC(=O)CCN(C)CCCc1[nH]nc(N)c1C#N 534096740 HBQCDMQQRPTZEZ-UHFFFAOYSA-N 322.369 -0.593 30 20 DBED N#C[C@H]1CN(S(=O)(=O)N2CC[C@@H](N3CCCC3)C2)CCO1 548832528 STEFIPAGHZTUEB-OLZOCXBDSA-N 314.411 -0.374 30 20 DBED Cc1cc(NC(=O)C(=O)NCC(=O)NCC2CC2)ncc1C#N 571536085 YEGGNJLOVQJAMR-UHFFFAOYSA-N 315.333 -0.157 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)CC(F)(F)CN)CC1 576236505 PJHFTMATNLTXSL-UHFFFAOYSA-N 304.341 -0.583 30 20 DBED N#Cc1cc(NCCN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)ncn1 580989454 DRDOOAMLSFGNQG-TXFQPVFDSA-N 309.329 0.567 30 20 DBED N#Cc1ccc(F)c(CS(=O)(=O)N2C[C@@H](O)[C@H](CO)C2)c1 581558795 AMBWUICQBQEEHU-WCQYABFASA-N 314.338 -0.188 30 20 DBED C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CC(C)(C#N)C1 582160302 CZVVUSZYCPOTEN-MRVPVSSYSA-N 305.338 -0.917 30 20 DBED C[C@@H](N)CNC(=O)C(=O)N1CCN(c2ccsc2C#N)CC1 595282489 OTWPSUXSPYSOCM-SNVBAGLBSA-N 321.406 -0.268 30 20 DBED CSCC[C@H](NS(=O)(=O)c1ccc(C#N)nc1)C(N)=O 599401984 DFUTVLDMSLLELU-JTQLQIEISA-N 314.392 -0.161 30 20 DBED N#Cc1ccccc1OC[C@@H](O)CNC[C@H](O)Cn1ccnn1 600745029 CSTVAOOBAUODAE-KBPBESRZSA-N 317.349 -0.460 30 20 DBED CO[C@@H]1CN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CCO1 602900132 SPOQIBYVGGMTPH-ZBFHGGJFSA-N 324.425 -0.017 30 20 DBED N#Cc1ncn(CC(=O)N2CCN(C[C@H]3CCCO3)CC2)n1 610879003 FZRNXPYIMXNUFQ-GFCCVEGCSA-N 304.354 -0.527 30 20 DBED C=C[C@@](C)(O)C(=O)N[C@H]1CC(=O)N(CCN(C)CCOC)C1 622055811 WAJDEWUFRIJIQH-SWLSCSKDSA-N 313.398 -0.781 30 20 DBED C#CCNS(=O)(=O)N1CCN(C[C@@H]2CCCCO2)CC1 761035736 CPIMIIOAFXFABG-ZDUSSCGKSA-N 301.412 -0.359 30 20 DBED N#CCN1CCC(OC(=O)CN2CCCS2(=O)=O)CC1 770783544 NKBWYWYOIPZWNP-UHFFFAOYSA-N 301.368 -0.447 30 20 DBED C#Cc1cccc(NC(=O)C(=O)NCCC(=O)NC(N)=O)c1 774484318 BKVDCTVALCQASD-UHFFFAOYSA-N 302.290 -0.692 30 20 DBED C#C[C@H](NC(=O)c1ccc(S(N)(=O)=O)nc1)[C@@H]1CCCO1 775338264 FZQVDWMDHLSALA-QWRGUYRKSA-N 309.347 -0.360 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)OCCOCC(F)F)C1=O 787684334 GWDGKODXUUHHFJ-UHFFFAOYSA-N 320.248 -0.212 30 20 DBED N#Cc1cccnc1NCCNC(=O)C(=O)N1CCC[C@H]1CO 787773999 DJDWTONJBWOAEF-LBPRGKRZSA-N 317.349 -0.535 30 20 DBED N#Cc1c2c(cn(CN3CCO[C@@H](C(N)=O)C3)c1=O)CCCC2 793491859 XAQMALJCIZCFIF-CQSZACIVSA-N 316.361 -0.258 30 20 DBED C#CCCS(=O)(=O)N1C[C@@H](CO)C[C@@H](OCCOC)C1 808308639 MRVXXXNUWRTFNS-QWHCGFSZSA-N 305.396 -0.315 30 20 DBED C#CCONC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 812784463 PLHDWPYYYQHTHG-JTQLQIEISA-N 307.331 -0.094 30 20 DBED C=C[C@H](O)C(=O)OCCOc1ccc(S(N)(=O)=O)cc1 814548016 LORIGSMUOKTYRY-NSHDSACASA-N 301.320 -0.197 30 20 DBED CN(C)CC#CCNC(=O)[C@H]1CCCCN1S(C)(=O)=O 823675047 XHVAYCIQJRNIHU-GFCCVEGCSA-N 301.412 -0.518 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)CC(C)(C)C#N)CC1 831574346 DVEYYNBRLJGNRS-UHFFFAOYSA-N 312.395 -0.462 30 20 DBED C#CCC[C@@H](O)CNC(=O)c1sccc1S(N)(=O)=O 847169543 ASTOCXCAXOGXOJ-MRVPVSSYSA-N 302.377 -0.100 30 20 DBED N#Cc1ccc([C@@H](OC(=O)C2(n3cnnn3)CC2)C(N)=O)cc1 849995471 JMDVSRFWVNSNPH-LLVKDONJSA-N 312.289 -0.196 30 20 DBED C=CCN(C(=O)[C@@H]1CCOC(=O)N1)[C@@H]1CCS(=O)(=O)C1 858679893 JXJRGIXJFCJWAM-ZJUUUORDSA-N 302.352 -0.313 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@@H](C(=O)OC)CC[C@@H]1C(=O)OC 862824369 MHLHELRYLAKXCU-GRYCIOLGSA-N 311.334 -0.022 30 20 DBED C=C(CN(C)C)C(=O)N1CCCN(C(=O)CNC(C)=O)CC1 862960607 IJEKPAUKTXAPTO-UHFFFAOYSA-N 310.398 -0.699 30 20 DBED C#CC[C@@H](CO)NC(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O 919260868 ATCRJGINIRFNHS-CMPLNLGQSA-N 305.338 -0.791 30 20 DBED C=CCOC[C@@H]1NC(=O)N(CCC(=O)N2CCN(C)CC2)C1=O 925274378 AVKCPAGOSISVFO-LBPRGKRZSA-N 324.381 -0.727 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2nc[nH]n2)C1 938452140 XWPZCUWPJOCUOH-AXFHLTTASA-N 305.338 -0.274 30 20 DBED O=C(CN1C(=O)CCC1=O)N[C@@H]1CCN(C(=O)C#CC2CC2)C1 940362057 FEKGTCZWFQVYIR-GFCCVEGCSA-N 317.345 -0.734 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cn(C)c(=O)nc2O)[C@H](C)C1 944907552 NJNLGMJQKBWKAU-PWSUYJOCSA-N 304.350 -0.441 30 20 DBED CO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1NC(=O)c1ccnnc1 946940524 STVWRDNIALFXOY-MVWJERBFSA-N 303.322 -0.408 30 20 DBED C=C(C)CN1CCN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)CC1 951792839 CMHVEWSVBWBZQC-UHFFFAOYSA-N 316.365 -0.209 30 20 DBED C[C@H](C#N)C(=O)N1CC(N(C)C(=O)[C@@H]2CCc3nncn3C2)C1 954497000 RERJJTDRKXHRAI-GHMZBOCLSA-N 316.365 -0.331 30 20 DBED CC#CCN1C[C@H](CNC(=O)c2ccnc(OC)n2)[C@@H](O)C1 958248385 IJDABTOBAWVMFP-AAEUAGOBSA-N 304.350 -0.469 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2scnc2COC)C1 958472812 YMRMCSMIRZADTR-CMPLNLGQSA-N 309.391 -0.055 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H]2[C@@H]3CN(CC(=O)NC4CC4)C[C@@H]32)c1 958501305 ZEYTWYXSOQWIPV-JYAVWHMHSA-N 313.361 -0.175 30 20 DBED CNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)c3cc(C#N)c[nH]3)[C@@H]2C1 958504782 IIKDYJCLPAENHP-JMJZKYOTSA-N 301.350 -0.319 30 20 DBED Cc1c(C(=O)N(C)[C@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)cnn1C 958600471 DRXJIWDJHSRJGF-XDTLVQLUSA-N 319.365 -0.468 30 20 DBED CCN(C(=O)c1nnn(C)c1C)C1CN(C(=O)[C@H](C)C#N)C1 967846932 FSXZGLXNFTWGIR-SECBINFHSA-N 304.354 -0.044 30 20 DBED C=CCCn1cc(C(=O)N2CC[C@@H](N[C@H]3CCNC3=O)C2)nn1 970223843 CHZOOAUPFLSLPG-NEPJUHHUSA-N 318.381 -0.453 30 20 DBED Cc1cc(=O)c(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)c[nH]1 970290541 GVXBYTVJDYMGOE-DYLAAIIWSA-N 318.333 -0.856 30 20 DBED CC#CCN1C[C@H]2CC[C@H]1CN2C(=O)C[C@@H]1NC(=O)NC1=O 971475220 ULVKTFOBVHJXFL-TUAOUCFPSA-N 304.350 -0.717 30 20 DBED O=C(N[C@H]1CCN(C(=O)C#CC2CC2)C[C@H]1O)C1=CCOCC1 991422851 IEQOTWODEGUKGE-LSDHHAIUSA-N 318.373 -0.176 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)c2cccnc2C(N)=O)C1 992704794 AHJUQOBATYXSRK-QMMMGPOBSA-N 301.306 -0.719 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CN(C(=O)c3cn(C)nn3)C[C@@]2(C)C1 993346440 YBFPNHJLPWGJOI-JRPNMDOOSA-N 316.365 -0.105 30 20 DBED C[C@H](C#N)C(=O)N1CC(N2C[C@H](NC(=O)CC3CC3)CC2=O)C1 995466754 XYLNCTLRQDPNEI-ZYHUDNBSSA-N 318.377 -0.126 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CC[C@H]1CN2C(=O)COC 1007037296 SJMJVNRSUDSHMO-ILXRZTDVSA-N 319.405 -0.068 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H](C)OC)CC1 1010571949 IAZMYZHLVQBKLJ-KGLIPLIRSA-N 307.394 -0.210 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CC12CCN(CC(N)=O)CC2 1016671130 UNJFFOZZQGNOAA-UONOGXRCSA-N 318.421 -0.460 30 20 DBED Cc1ncc(CC(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2O)o1 1024145074 MDTIPUXQBCZXCF-GGZOMVNGSA-N 306.322 -0.627 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCCCN1CC(N)=O 1024488325 XBGWGWCYBRZPSX-KGLIPLIRSA-N 306.410 -0.460 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)C(C)(C)c2cnc[nH]2)C1 1024784596 VKRCZLWCHDBBID-GMTAPVOTSA-N 319.365 -0.465 30 20 DBED C#CCN(C)[C@H]1CCCN(C(=O)[C@H]2COCCN2C(C)=O)C1 1027688711 NZAFSTCKMMLKKP-LSDHHAIUSA-N 307.394 -0.210 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2CCCN2CC(=O)N(C)C)nn1 1028187129 CRVKHULHSRBABE-GFCCVEGCSA-N 320.397 -0.254 30 20 DBED C#CCN1CCC(C(=O)NC2CN([C@H](C)C(=O)NC)C2)CC1 1031434914 JVENLTFWFVQXPP-GFCCVEGCSA-N 306.410 -0.734 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCC1CN(Cc2nncn2C)C1 1031986694 AVSYXPFIMKVWSD-OLZOCXBDSA-N 305.382 -0.046 30 20 DBED CN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CCN(Cc2nnnn2C)C1 1032991816 NNYGQNUMXGHOAF-NSHDSACASA-N 314.353 -0.244 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@@H]2CN(Cc3cnon3)CCO2)c1 1035325823 JPHPUQSUIAJEQK-GFCCVEGCSA-N 316.321 -0.100 30 20 DBED N#CCN1CCO[C@@H](CNC(=O)c2nccn3ccnc23)C1 1035518182 KZALBYDAGYFELV-NSHDSACASA-N 300.322 -0.317 30 20 DBED N#CCNC1C[C@@H]2CCC[C@H](C1)N2C(=O)CN1CCNC(=O)C1 1039289219 FBGKEJBCJDPHTO-AGUYFDCRSA-N 319.409 -0.557 30 20 DBED C#CCCCC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2COCCO2)C1 1039574197 OZWCAMQVYACOTB-BBRMVZONSA-N 324.377 -0.715 30 20 DBED C[C@H]1[C@@H](N=c2cc[nH]cc2C#N)CCN1C(=O)Cn1cnnn1 1040049060 DDNWZFYXRMDZTI-JQWIXIFHSA-N 312.337 -0.537 30 20 DBED Cc1nnccc1C(=O)NC[C@@]1(O)CCN(C(=O)[C@H](C)C#N)C1 1040397411 UDSAOQJKORUKLJ-BMIGLBTASA-N 317.349 -0.362 30 20 DBED C[C@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)C2(CN(C)C)CC2)C1 1040761140 RPKSAXQRONMXAM-WBMJQRKESA-N 322.409 -0.433 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2ccc[nH]2)C1 1041442653 JVOHZYGAOPWBBM-NSHDSACASA-N 307.350 -0.091 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)[C@H](C)OCC)C1 1041635381 BVOBYXMSUJAKKT-RYUDHWBXSA-N 312.366 -0.861 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)[C@]2(F)CCOC2)C1 1041973225 UIDJXCTXVYCJHQ-AWEZNQCLSA-N 300.330 -0.229 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)c2[nH]ccc2C)C1 1042040116 OCVDHXHWPPSEHD-UHFFFAOYSA-N 307.350 -0.171 30 20 DBED C=CCOCCCC(=O)NCC1(O)CN(C(=O)c2cn[nH]c2)C1 1042306747 CBFGTGSVLKNZSZ-UHFFFAOYSA-N 322.365 -0.304 30 20 DBED C#CCNC(=O)CC(=O)NCC1(O)CN(C(=O)CCC(C)C)C1 1042672000 DRCXBIQVDRUIPG-UHFFFAOYSA-N 323.393 -0.748 30 20 DBED COC1CC(C(=O)N2CC(O)(CNC(=O)C#CC(C)C)C2)C1 1042941553 NOTVZHNULGHLRO-UHFFFAOYSA-N 308.378 -0.240 30 20 DBED C[C@@H]1[C@H](C(=O)NCC2(O)CN(C(=O)C#CC3CC3)C2)CCN1C 1043262841 XOQJZHVJBVGANP-TZMCWYRMSA-N 319.405 -0.571 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)c2ccnc(OC)n2)C1 1044174682 DBFVMXCLEBIMKO-UHFFFAOYSA-N 320.349 -0.246 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)CC[C@H]2CCCN2C)C1 1045565457 XUGFHMCAQPHSID-CHWSQXEVSA-N 322.409 -0.290 30 20 DBED Cc1nc(CC(=O)N2CCN([C@H]3CCN(CC#N)C3)CC2)n[nH]1 1046028418 BNXQXNLOLBMBDX-ZDUSSCGKSA-N 317.397 -0.602 30 20 DBED CC#CCN1CC[C@H](N2CCN(C(=O)Cc3nc[nH]n3)CC2)C1 1046076580 GPHLVWYHCUKVCT-AWEZNQCLSA-N 316.409 -0.411 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)c2ocnc2CC)C1 1046327985 JKMLYOKOYUQBLN-UHFFFAOYSA-N 323.349 -0.257 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCN2C(C)=O)C1 1047602908 BKLCGKMFPVQAAW-KKUMJFAQSA-N 307.394 -0.476 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cn(C)cn2)C1 1048678602 STNHWZCOJPUBBA-KBPBESRZSA-N 318.377 -0.277 30 20 DBED C#CCCCC(=O)N(C)[C@H]1CN(C(=O)CNC(=O)CC)C[C@@H]1O 1048749835 BJXGTNCLKMTRMV-STQMWFEESA-N 323.393 -0.654 30 20 DBED C=C(C)CCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2nc[nH]n2)C1 1049195969 BBZKZSBSBZSTHG-QWRGUYRKSA-N 307.354 -0.195 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)c1cc(=O)c(OC)co1 1051026827 WUMPPOGSFXJNGP-NSHDSACASA-N 306.318 -0.288 30 20 DBED C[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1CNC(=O)C1(C(N)=O)CC1 1052552452 BPNBIZKUVXLEJE-AAEUAGOBSA-N 317.389 -0.124 30 20 DBED C#CCN1CC2(C1)CN(C(=O)c1cc3n(n1)CCC3)CCO2 1053281336 FMGINYZSUUQZHU-UHFFFAOYSA-N 300.362 -0.011 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)[C@H]3C[C@@H](C)CC(=O)N3)CO2)C1 1053805523 TUAWHCJGVQVIOW-HZSPNIEDSA-N 319.405 -0.116 30 20 DBED N#Cc1nc(=N[C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)CC(N)=O)C3)cc[nH]1 1054811249 IRPLZTAOOLPVRZ-AXFHLTTASA-N 314.349 -0.563 30 20 DBED C=CCCC(=O)N1C[C@H]2CN(C(=O)[C@H]3COC(=O)N3)C[C@H]2C1 1055233181 AADBAXDBYWMOSW-GRYCIOLGSA-N 307.350 -0.022 30 20 DBED Cn1nncc1C(=O)NC1[C@@H]2CN(c3ccc(C#N)cn3)C[C@@H]12 1056194546 NKWPLNGRCCGCDH-GHMZBOCLSA-N 309.333 -0.054 30 20 DBED N#Cc1ccc(N2C[C@H]3C(NC(=O)Cn4nccn4)[C@@H]3C2)nc1 1056316011 OEBBCKILQIBVCF-VXGBXAGGSA-N 309.333 -0.204 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)[C@@H](C)OCC1CC1 1057139092 XBSIRJXTDREQKA-NWDGAFQWSA-N 311.382 -0.102 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)[C@@H]1CC[C@@H]1C(N)=O 1057174035 ODNPVPQLFLBWJT-NWDGAFQWSA-N 311.382 -0.599 30 20 DBED O=C(C#CC1CC1)NCCN(CCO)C(=O)[C@H]1CCCCO1 1057352487 DOGSQFASVMJPSV-CQSZACIVSA-N 308.378 -0.094 30 20 DBED C=C[C@](C)(O)CC(=O)N(CCO)CCNC(=O)C[C@@H](C)OC 1057450618 VMURFFAMBAVARQ-DOMZBBRYSA-N 316.398 -0.324 30 20 DBED C=C[C@H](CC)CC(=O)NCCN(CCO)C(=O)c1cnn[nH]1 1058059934 FDLPLKKOVWCPLL-LLVKDONJSA-N 309.370 -0.042 30 20 DBED C=C1CC(C)(C(=O)NCCN(CCO)C(=O)[C@@H]2CCNC2=O)C1 1058299089 VSVMFJFUKHQJPH-GFCCVEGCSA-N 323.393 -0.584 30 20 DBED Cc1nnc(CC(=O)N[C@H]2CCN(c3ccnc(C#N)n3)C2)o1 1058346913 FZGYZMXAUHEHJM-JTQLQIEISA-N 313.321 -0.023 30 20 DBED CCc1nc[nH]c1C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N 1058654834 JSCLSYHBIVPNLZ-JTQLQIEISA-N 307.354 -0.318 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)CCc1cnccn1 1058819017 QTCMVSZILYGFRJ-LBPRGKRZSA-N 319.365 -0.494 30 20 DBED CN1CCOC[C@H]1C(=O)N1CC[C@H](Nc2nccnc2C#N)C1 1058855336 XQRXTNNEBPPTRH-AAEUAGOBSA-N 316.365 -0.308 30 20 DBED C=CCOCC(=O)N1CC[C@@H](CCNC(=O)c2cn(C)nn2)C1 1059334627 HRBSZVURIJIHMK-GFCCVEGCSA-N 321.381 -0.014 30 20 DBED C=CCOCC(=O)NC[C@@H]1COCCN1C(=O)Cc1cc[nH]n1 1061423716 MPGFEHJCSLRQRS-CYBMUJFWSA-N 322.365 -0.502 30 20 DBED N#Cc1ccc(N2C[C@@H]3C[C@H]2CN3C(=O)C2(C(N)=O)CC2)nn1 1062566996 IBRFICKXRBKZFI-QWRGUYRKSA-N 312.333 -0.597 30 20 DBED C#CCO[C@H](C)C(=O)NC1(CNC(=O)c2nnn(C)n2)CCC1 1064045790 GZTNMKMADHPYBV-SNVBAGLBSA-N 320.353 -0.983 30 20 DBED CC(C)(C(N)=O)C(=O)N1CCO[C@H](CNC(=O)C#CC2CC2)C1 1065263449 WCHYXWDBDCAWJA-GFCCVEGCSA-N 321.377 -0.745 30 20 DBED C=CCOCC(=O)N[C@@H]1CCCN(C(=O)[C@H]2CCNC2=O)CC1 1065983255 ZUAHFTUAOLLPGR-OLZOCXBDSA-N 323.393 -0.178 30 20 DBED N#Cc1cncc(N2CC[C@@H]3[C@@H]2CCCN3C(=O)CC(N)=O)n1 1066126317 FFDWPMLDIAILRS-NWDGAFQWSA-N 314.349 -0.207 30 20 DBED N#Cc1cnc(N2C[C@@H]3C(CNC(=O)c4cnon4)[C@H]3C2)cn1 1068181174 XLGYPBNIHOSHFZ-GHMZBOCLSA-N 311.305 -0.157 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H]2CCO[C@H]2C=C)C1 1070026792 HFEXAZQXVBQZHG-KBXIAJHMSA-N 315.377 -0.156 30 20 DBED Cn1cnc([C@@H]2CN(C(=O)c3ccn(C)n3)C[C@H]2NCC#N)c1 1070564131 WNMRKEKWYILNTM-SMDDNHRTSA-N 313.365 -0.125 30 20 DBED C[C@H]1CN(C(=O)Cc2nc[nH]n2)C[C@]2(CCN(CC#N)C2)O1 1071232012 XUWUWPDVOJMGKA-SMDDNHRTSA-N 304.354 -0.437 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CN(C(=O)C(C)(F)F)C[C@H]1C 1071464474 CYKXCXBWCLMTEL-ZJUUUORDSA-N 315.320 -0.256 30 20 DBED C[C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1NC(=O)C#CC(C)(C)C 1071556778 MFGINVPELUYQPG-VXGBXAGGSA-N 318.381 -0.314 30 20 DBED C#CCCN1CCC2(C1)CN(C(=O)Cn1c(O)nnc1O)C2 1073152394 DBBIUTYKUWFUKQ-UHFFFAOYSA-N 305.338 -0.753 30 20 DBED C=C(C)C[C@H](C)C(=O)N1CCN(C2CN(C(=O)C(N)=O)C2)CC1 1073592311 GOGFOUKLVARLKR-LBPRGKRZSA-N 322.409 -0.571 30 20 DBED N#CCN1CCO[C@@H]2CCN(C(=O)CCn3cncn3)C[C@H]21 1074170301 LXSRXBROVCHNHD-CHWSQXEVSA-N 304.354 -0.507 30 20 DBED COc1nn(C)cc1C(=O)N1CC[C@@H]2OCCN(CC#N)[C@@H]2C1 1074314457 GKCHJRWVUBPNTD-OLZOCXBDSA-N 319.365 -0.132 30 20 DBED C=CCCC(=O)N1CCC(O)(CNC(=O)c2nc[nH]n2)CC1 1074511025 ZCIZQVZAAJNIGF-UHFFFAOYSA-N 307.354 -0.146 30 20 DBED N#CCN[C@H]1C[C@H]2CC[C@H]1N(C(=O)CN1CCCNC1=O)C2 1078986206 BUPZXLSQFKHIBP-FRRDWIJNSA-N 305.382 -0.106 30 20 DBED C=CCOCC(=O)N(CC)C1CN(C(=O)c2cnnn2C)C1 1079490265 HYQXCGJRSYQWBG-UHFFFAOYSA-N 307.354 -0.309 30 20 DBED CCN(C(=O)C#CC(C)(C)C)C1CN(C(=O)[C@H]2CNC(=O)N2)C1 1079744908 SEPCBEWNTZDOPA-GFCCVEGCSA-N 320.393 -0.223 30 20 DBED Cc1cc(C(=O)NC[C@H]2CN(C(=O)C#CC(C)C)C[C@@H]2O)n[nH]1 1081308645 ZMPOJMHPCBTHOA-JSGCOSHPSA-N 318.377 -0.073 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)c2cc[n+]([O-])cc2)C[C@@H]1O 1081333178 PEOPHJHEBKKVHV-KGLIPLIRSA-N 319.361 -0.165 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)c2nnn(C)c2C)C[C@H]1O 1081333748 XIQOMHXMSBYVKU-VXGBXAGGSA-N 321.381 -0.361 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@H](CNC(=O)CC(=O)NCC)C1 1081421605 BJLPTMOLTNSUQH-NEPJUHHUSA-N 311.382 -0.586 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(C(=O)c2cn[nH]c2)C[C@H]1O 1081468619 MDAQFHSNIZIHMX-QWHCGFSZSA-N 302.334 -0.628 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCCC[C@H]1CNC(=O)CC(N)=O 1082075796 GDJIBRMIRCLVID-RYUDHWBXSA-N 309.366 -0.603 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H](C)n1cncn1 1083055839 KCDUZCMDUNDCCW-MELADBBJSA-N 303.366 -0.226 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cc(C(N)=O)c[nH]1 1083234229 SROJCQPLMNHCPW-UONOGXRCSA-N 316.361 -0.338 30 20 DBED CC(=O)Nc1ccc(CC(=O)N[C@@H]2CN(CC#N)C[C@@H]2O)cc1 1083612661 GMWYLJXJOQXUCV-CABCVRRESA-N 316.361 -0.128 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CC(=O)Nc3ccccc32)C1 1083684159 IFZOGIJKDXQPAZ-BNOWGMLFSA-N 314.345 -0.203 30 20 DBED Cc1csc2nc(CC(=O)N[C@@H]3CN(CC#N)C[C@@H]3O)cn12 1083694718 OQWWLOQKFPHUJY-NEPJUHHUSA-N 319.390 -0.068 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)c2c(C)c[nH]c2CC(N)=O)C1 1083794666 HDHXYLKYMYQODG-OLZOCXBDSA-N 318.377 -0.851 30 20 DBED CN(C)C(=O)C1CCC(C(=O)N[C@@H]2CN(CC#N)C[C@@H]2O)CC1 1083945235 SDSMUQVBABQGJG-PQAZSJQKSA-N 322.409 -0.434 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2C[C@H](N[C@H](CC)C(N)=O)C2)nn1 1086499805 YERHRPQUDPGUHU-IJLUTSLNSA-N 320.397 -0.174 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2cn3c(n2)CCCC3)[C@@H](O)C1 1090308845 YJXGDSLENHZVLX-YPMHNXCESA-N 303.366 -0.092 30 20 DBED N#CCN1CC[C@H](NC(=O)c2cnc3n2CCOC3)[C@@H](O)C1 1090336431 HGHITXIABLCDBQ-JQWIXIFHSA-N 305.338 -0.898 30 20 DBED C=CCCN1CC[C@H](NC(=O)c2ccn3nnnc3c2)[C@H](O)C1 1090486627 OQRIFBVLRKVXSU-QWHCGFSZSA-N 316.365 -0.135 30 20 DBED C=CCCN1CC[C@H](NC(=O)c2ccc(C(N)=O)cn2)[C@@H](O)C1 1090844811 UKJHCDVTLRKSIS-JSGCOSHPSA-N 318.377 -0.078 30 20 DBED COCCC(=O)N[C@@H]1CN(c2ccc(C#N)c(C)n2)C[C@@H]1O 1091062494 UJJSUSDOZUYEIX-OLZOCXBDSA-N 304.350 -0.036 30 20 DBED CSCC(=O)N[C@H]1CCN(c2ccnc(C#N)n2)C[C@H]1O 1092148809 UXZCTOOEYCFBOA-VHSXEESVSA-N 307.379 -0.233 30 20 DBED C=CCN1CC2(C[C@@H](NC(=O)[C@H]3CCNC3=O)c3nccn32)C1 1092384803 LZUNZXOVWOAGBF-NWDGAFQWSA-N 315.377 -0.223 30 20 DBED N#Cc1cncc(N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)CNC(N)=O)n1 1092800451 JOJDMXUIXCJXDW-VWYCJHECSA-N 315.337 -0.758 30 20 DBED N#Cc1nc(=NCCNC(=O)COCc2ccncc2)cc[nH]1 1093829130 YJIXNZFSGVYVNX-UHFFFAOYSA-N 312.333 -0.090 30 20 DBED Cc1nc(NCCNC(=O)C2CS(=O)(=O)C2)ccc1C#N 1093910033 SMBQJVKGIFIYDI-UHFFFAOYSA-N 308.363 -0.166 30 20 DBED COC(=O)NCC(=O)N1CC[C@@H](Nc2cnc(C#N)cn2)C1 1095019950 JQAZXWMECIGNSB-SECBINFHSA-N 304.310 -0.283 30 20 DBED Cc1ccc(C#N)c(N(C)CCCNC(=O)CNC(N)=O)n1 1095468804 DQIMFUWZSNNEMF-UHFFFAOYSA-N 304.354 -0.128 30 20 DBED CCN(CCCNC(=O)CNC(N)=O)c1ccnc(C#N)n1 1095834197 MCGSZJQYMOYKEO-UHFFFAOYSA-N 305.342 -0.651 30 20 DBED N#Cc1nc(=N[C@@H](CNC(=O)[C@H]2CCC(=O)N2)C2CC2)cc[nH]1 1096598086 JUEGPSIVDJSUAP-MNOVXSKESA-N 314.349 -0.645 30 20 DBED CS(=O)(=O)CC(=O)NC[C@H](Nc1cncc(C#N)n1)C1CC1 1096610963 GGTVTRKYPRPDMA-NSHDSACASA-N 323.378 -0.300 30 20 DBED C[C@H](CNC(=O)CN1CCOCC1)Nc1cnc(C#N)cn1 1097783717 OJQCZFPFNHWYKY-LLVKDONJSA-N 304.354 -0.403 30 20 DBED CCc1nc(C#N)cc(N[C@@H](C)CNC(=O)[C@@H]2CNC(=O)N2)n1 1098249897 DKOXYICSNZMTKU-WPRPVWTQSA-N 317.353 -0.491 30 20 DBED CC#CCN(CCO)C1CCN(C(=O)c2ncn(C)n2)CC1 1098362646 UHLHMGVEFADKJJ-UHFFFAOYSA-N 305.382 -0.263 30 20 DBED C#CCN(CCO)C1CCN(C(=O)Cc2ccn(C)n2)CC1 1098365891 RWBOIGSAFCHDDJ-UHFFFAOYSA-N 304.394 -0.119 30 20 DBED C=CCNCc1cn([C@@H]2CCN(C(=O)CC(=O)NCC)C2)nn1 1098661860 STRGWBOVZCFJFB-CYBMUJFWSA-N 320.397 -0.147 30 20 DBED C[C@H](CCNC(=O)[C@@H]1COCCN1C)Nc1ccc(C#N)nn1 1099022697 XDWSDGBEERDCNI-YPMHNXCESA-N 318.381 -0.014 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2cc(C)ncn2)[C@H](O)C1 1099775702 KHLVBLXNYIICMT-DZGCQCFKSA-N 318.377 -0.400 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)CCC(F)F)[C@H](O)C1 1099918553 NHOOGPHLQPTTNR-WDEREUQCSA-N 319.352 -0.115 30 20 DBED CCc1noc(COCC(=O)N[C@H]2CCN(CC#N)C[C@H]2O)n1 1100072055 OJTABUOZGUFXLJ-WDEREUQCSA-N 323.353 -0.776 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)[C@@H](C)NC(=O)CC)C1 1100355878 INCCYEMAIHRWBG-PNESKVBLSA-N 322.409 -0.865 30 20 DBED CCC[C@@H](C(=O)NCC1CC(NCC#N)C1)S(N)(=O)=O 1100536425 ZEBMNIZKAXKGCR-ILDUYXDCSA-N 302.400 -0.548 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)c2n[nH]cc2F)C1 1100649434 HDBFPOYFZFKWGM-UHFFFAOYSA-N 307.329 -0.604 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H]2CN(CCOC)C[C@@]2(C)C1 1101205488 QVCHWLVVQAZYQA-CJNGLKHVSA-N 307.394 -0.447 30 20 DBED Cn1nnc(C(=O)NCCN(c2ncccc2C#N)C2CC2)n1 1101423694 HPANQKWGEWDSOX-UHFFFAOYSA-N 312.337 -0.124 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CC2(CN(CC(N)=O)C2)n2ccnc21 1101618626 DRRHLQDKIRXGDX-VHSXEESVSA-N 302.338 -0.900 30 20 DBED CN(CCNc1cnc(C#N)cn1)C(=O)[C@@H]1CCC(=O)N1C 1101895149 DKQHNFYMNIZRCI-NSHDSACASA-N 302.338 -0.161 30 20 DBED CN(CCNc1ccc(C#N)nc1)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 1101959358 QQRBZTMBYWUKRD-QWHCGFSZSA-N 317.349 -0.144 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1101962114 VTQAXGGWUVQRDJ-ZIAGYGMSSA-N 320.393 -0.650 30 20 DBED N#Cc1nccc(N2C[C@@H]3C[C@H]2CN3C(=O)CCNC(N)=O)n1 1102551599 SUNOQHASJQQFAR-UWVGGRQHSA-N 315.337 -0.804 30 20 DBED CC[C@H](CNC(=O)Cn1cnnn1)Nc1cnc(C#N)cn1 1102968915 QHLUSEIFNODCLT-SECBINFHSA-N 301.314 -0.658 30 20 DBED CC#CCNCc1cn(C2CN(C(=O)C3(C(N)=O)CC3)C2)nn1 1105315272 DQRMPSLYENPVGS-UHFFFAOYSA-N 316.365 -0.960 30 20 DBED CN(CCN(C)c1ccc(C#N)nn1)C(=O)[C@H]1COCCO1 1105339512 RIOGDTKXCJQGGC-GFCCVEGCSA-N 305.338 -0.342 30 20 DBED C#CCCN1CC(OC2CCN(C(=O)CNC(N)=O)CC2)C1 1105685873 KGHIELZJNAJRRM-UHFFFAOYSA-N 308.382 -0.630 30 20 DBED N#Cc1c(F)cccc1NC[C@H](O)CNC(=O)[C@H]1CCC(=O)N1 1105749461 BBYLREKVQOBPBW-TVQRCGJNSA-N 320.324 -0.135 30 20 DBED CCc1ocnc1C(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1 1105759136 GEJMKSXVDKARMQ-VIFPVBQESA-N 316.321 -0.477 30 20 DBED CCN(CCN=c1cc[nH]cc1C#N)C(=O)[C@H]1COC(=O)N1 1106754951 WDIGEHNFLFCINS-GFCCVEGCSA-N 303.322 -0.256 30 20 DBED Cc1cc(CC(=O)NCc2cn(C3CN(CC#N)C3)nn2)no1 1107146014 SEGMFYKPMQYJMG-UHFFFAOYSA-N 315.337 -0.186 30 20 DBED C=CCNC(=O)CN1CCO[C@@](C)(CNC(=O)COCC)C1 1107713522 RDJNFRCFJFBHQY-HNNXBMFYSA-N 313.398 -0.468 30 20 DBED C=CCOCC(=O)NC[C@]1(C)CN([C@@H](C)C(=O)NC)CCO1 1107812737 CYCHDPOBWVSQAG-SWLSCSKDSA-N 313.398 -0.469 30 20 DBED C#CCOCCC(=O)NC[C@@]1(C)CN(Cc2cnon2)CCO1 1107940709 WYMGCOOPBZDNQQ-HNNXBMFYSA-N 322.365 -0.183 30 20 DBED C=CCCC(=O)N1CCN(C[C@H](C)O)[C@H]2CS(=O)(=O)C[C@H]21 1108462386 RDFSNTWDWPJDQC-RWMBFGLXSA-N 316.423 -0.357 30 20 DBED C=CCOCC(=O)N[C@@H]1CC(=O)N(C2CN(CC#CC)C2)C1 1108523287 GJWJDPFCVPXAHY-CYBMUJFWSA-N 305.378 -0.386 30 20 DBED C[C@@H](CN=c1cc[nH]cc1C#N)NC(=O)[C@]1(C)CCC(=O)N1 1108671888 WXONACJHOSLTGX-BONVTDFDSA-N 301.350 -0.040 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)[C@@H]1CCC(=O)NC1 1108777042 YOPPLUAPJVHQPB-VHSXEESVSA-N 302.338 -0.787 30 20 DBED CC#CCN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1c(O)nnc1O)C2 1108810337 VXMWDXLGDNINIT-TUAOUCFPSA-N 319.365 -0.318 30 20 DBED C[C@@H](CN(C)c1ccnc(C#N)n1)NC(=O)CS(C)(=O)=O 1108836642 DBVCBBKKJONSJO-VIFPVBQESA-N 311.367 -0.666 30 20 DBED N#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C(=O)NCC(F)(F)F 1109899223 XKMMCZLHMUIWNJ-VGMNWLOBSA-N 304.272 -0.090 30 20 DBED N#CCSCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2[C@@H]1CCNC1=O 1110305476 XJNMZXNIAPBYLY-WISYIIOYSA-N 308.407 -0.147 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@]1(O)CCN(c2ccnc(C#N)n2)C1 1111042209 QMOGXWRMHZADRD-HZMBPMFUSA-N 300.322 -0.435 30 20 DBED COC[C@@H](C)C(=O)N(C)[C@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1111175422 DPSDTNURWMPXBF-WOPDTQHZSA-N 319.365 -0.361 30 20 DBED N#Cc1c[nH]ccc1=NCCN(CCO)C(=O)[C@@H]1COCCO1 1111425569 OEXIXESPAKHMFX-AWEZNQCLSA-N 320.349 -0.977 30 20 DBED C=CCOCC(=O)N(CCO)CCNc1cnc(C#N)cn1 1111444952 DWUPUIZXTOSMGK-UHFFFAOYSA-N 305.338 -0.216 30 20 DBED N#Cc1ccc(NCCN(CCO)C(=O)Cc2cnoc2)nn1 1111543078 XFRBGRCDHHLENB-UHFFFAOYSA-N 316.321 -0.188 30 20 DBED N#Cc1ccc(N2CCC[C@@H](NC(=O)CNC(N)=O)CC2)nn1 1111966380 NKSNVPCRALQAMQ-SNVBAGLBSA-N 317.353 -0.508 30 20 DBED C[C@@H]1CN(c2ccnc(C#N)n2)CC[C@H]1NC(=O)CC(N)=O 1112395436 JELKJDVBFDGBRV-NXEZZACHSA-N 302.338 -0.445 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(CCN(C)S(C)(=O)=O)CC1 1112711146 RTVYKPRGHZSWDS-NSHDSACASA-N 302.400 -0.818 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)C2CN(C(C)=O)C2)CC1 1112798121 PFYIIOZFWRAEQH-LBPRGKRZSA-N 322.409 -0.700 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CN(C)C[C@H]2C)CC1 1113345907 JMVIDPOSMGXNRK-ZIAGYGMSSA-N 306.410 -0.922 30 20 DBED C#CCOCCC(=O)NC1[C@@H]2CN(Cc3ncnn3C)C[C@@H]12 1114266835 XRHHSMUZTCHNNY-VXGBXAGGSA-N 303.366 -0.599 30 20 DBED CC#CCN1C[C@H]2[C@H](NC(=O)[C@H](CCC)S(N)(=O)=O)[C@H]2C1 1114621950 UKDPNSWTJZPKIH-QNWHQSFQSA-N 313.423 -0.487 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)c3csc(O)n3)[C@@H]2C1 1114711932 CNQPVAVZRZTQSY-RKDXNWHRSA-N 322.390 -0.189 30 20 DBED N#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3ncccc3F)[C@H]2C1 1115013239 JCXOGJVRNWPJEM-IWIIMEHWSA-N 317.324 -0.480 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)COCCCOC)[C@H]2C1 1115094883 BHBVNLMPNCYXAC-FOLVSLTJSA-N 310.394 -0.264 30 20 DBED Cc1noc(CCCNC(=O)NCCn2cnc(C#N)n2)n1 1117327063 USSCGZDRTSOVDF-UHFFFAOYSA-N 304.314 -0.227 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCc3nc(COC)nn3C2)nn1 1118219655 XFOHGBQKNDWDQG-JTQLQIEISA-N 317.353 -0.053 30 20 DBED C=CCC1(O)CCN(C(=O)C(=O)N[C@H]2CCCN(C)C2=O)CC1 1119487896 FNQWDLBZJKDDBB-LBPRGKRZSA-N 323.393 -0.347 30 20 DBED CCCCO[C@H](C)C(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1 1121279046 NMTUAPPGXKMMMA-NEPJUHHUSA-N 321.381 -0.136 30 20 DBED C=CCOCC(=O)NC[C@@H](CO)Nc1ncc(C(=O)OC)cn1 1121324747 QERWCMFOXYAGHV-NSHDSACASA-N 324.337 -0.645 30 20 DBED N#Cc1cnc(N[C@@H](CO)CNC(=O)CC2OCCCO2)cn1 1121360417 UYFAOTVRFIYBIW-LLVKDONJSA-N 321.337 -0.610 30 20 DBED Cc1nc(N[C@@H](CO)CNC(=O)C#CC2CC2)nc(N(C)C)n1 1121439765 SOSRGMGELIIQAK-GFCCVEGCSA-N 318.381 -0.452 30 20 DBED CCc1nc[nH]c1C(=O)NC[C@@H](CO)Nc1cncc(C#N)n1 1121874978 LDCVTLHFGOBLNO-JTQLQIEISA-N 315.337 -0.163 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)Cc2cncs2)nn1 1122154622 ZLYODTHKMDINKS-SNVBAGLBSA-N 318.362 -0.064 30 20 DBED C[C@@H]1CCCN1CC(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1 1122528903 WVGOKCOLSAVTQA-VXGBXAGGSA-N 318.381 -0.857 30 20 DBED CCOCCCNC(=O)[C@H](C#N)C(=O)c1cn(C)c(=O)nc1O 1122707525 LYDSXFDVQOAIGS-SECBINFHSA-N 322.321 -0.649 30 20 DBED CCNC(=O)CC(=O)N1CC[C@@H](N=c2cc[nH]c(C#N)n2)[C@H]1C 1122995561 BMEMBSJIYCGEQI-GHMZBOCLSA-N 316.365 -0.302 30 20 DBED C[C@@H]1[C@@H](N=c2cc[nH]cc2C#N)CCN1C(=O)CCNC(N)=O 1123012735 ORMCBNDWWGJBFL-PWSUYJOCSA-N 316.365 -0.165 30 20 DBED CO[C@H](C)C(=O)N(C)C[C@H](O)CN(C)c1cncc(C#N)n1 1124958375 SDJTUHSRQGKVKS-ZYHUDNBSSA-N 307.354 -0.361 30 20 DBED COC[C@@H](C)C(=O)N(C)C[C@@H](O)CN(C)c1cnc(C#N)cn1 1124988342 IYBZVNZUPWMFIR-YPMHNXCESA-N 321.381 -0.114 30 20 DBED CN(C[C@@H](O)CN(C)c1cncc(C#N)n1)C(=O)c1cnon1 1125140157 UQAXKENWJLZYGJ-JTQLQIEISA-N 317.309 -0.699 30 20 DBED CN(C[C@@H](O)CN(C)c1ccnc(C#N)n1)C(=O)c1cnn[nH]1 1125374700 ZQLRIKUJYJMZIR-VIFPVBQESA-N 316.325 -0.964 30 20 DBED CNC(=O)CC(=O)NCCN(CCOC)c1nccnc1C#N 1126308122 JADSBQMTFSSKTG-UHFFFAOYSA-N 320.353 -0.947 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1cn(C)nc1C1CC1 1128334897 NGVCRVWZTZHWRS-UHFFFAOYSA-N 305.382 -0.081 30 20 DBED CC#CCN1CCn2ncc(CNC(=O)C3(C(N)=O)CC3)c2C1 1128480450 CWPLHMYIYRZHGR-UHFFFAOYSA-N 315.377 -0.396 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1ccc(NC(C)=O)cn1 1128927076 BYCFBFBGCWCXRU-UHFFFAOYSA-N 317.349 -0.891 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)C1(F)CCOCC1 1128986002 ATYYCRCZCCBQCC-LLVKDONJSA-N 301.362 -0.098 30 20 DBED C=C(C)CCC(=O)N[C@@H]1CN([C@H](C)C(N)=O)C[C@@H]1n1ccnn1 1129025916 WDZUKVORZPLSQM-UPJWGTAASA-N 320.397 -0.150 30 20 DBED Cc1cn2cc(C(=O)NCCNCC(=O)NCC#N)sc2n1 1129410388 JNAVLKOXSAXXHM-UHFFFAOYSA-N 320.378 -0.337 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCNCc1cncc(OC)n1 1129771165 SITOGCRLSNSFNP-AWEZNQCLSA-N 317.393 -0.211 30 20 DBED COCc1csc(C(=O)NCCNCC(=O)NCC#N)c1 1130879393 KATYKHDWELKZHF-UHFFFAOYSA-N 310.379 -0.146 30 20 DBED C=CCCN1CCNC(=O)CCN(C(=O)CNC(C)=O)CC1 1131323149 RCXXDCXVQSXDAO-UHFFFAOYSA-N 310.398 -0.651 30 20 DBED C[C@H]1CC[C@@H](NC(=O)CSCC#N)CN1Cc1nnn(C)n1 1131827104 VXKDPOJLZQRFRG-WDEREUQCSA-N 323.426 -0.064 30 20 DBED CCCCCCCNCCNC(=O)CNS(=O)(=O)NC 1131836907 GIHGCSDLKKTAIN-UHFFFAOYSA-N 308.448 -0.284 30 20 DBED C#CCNC(=O)CNC[C@H]1CN(C(=O)COCC)CC[C@@H]1C 1132614208 RXNQQXVBWQOUHL-KBPBESRZSA-N 309.410 -0.154 30 20 DBED C#CCNC(=O)CNC[C@H]1CN(C(=O)c2ncc[nH]2)CC[C@H]1C 1132805504 SZHPJFANUHKCPZ-OLZOCXBDSA-N 317.393 -0.153 30 20 DBED C=CCCCC(=O)NCCNC[C@@H](O)CN1C(=O)CCC1=O 1133145422 YLIMBGRYOKKCBQ-GFCCVEGCSA-N 311.382 -0.442 30 20 DBED C=CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)COCCOC 1133926828 NKRGVEWXXYEQDC-QWHCGFSZSA-N 315.414 -0.176 30 20 DBED C=CCOCCN[C@H](C)C[C@H](C)NC(=O)CS(=O)(=O)NC 1146429883 GNBIVECKOYATIV-NEPJUHHUSA-N 321.443 -0.389 30 20 DBED CC(=O)NCC(C)(C)C(=O)NC[C@H]1CN(CC#N)CCCO1 1150445174 SJQALWQOAKHJSF-ZDUSSCGKSA-N 310.398 -0.121 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)C(=O)Nc2cc(C)on2)C1 1150706631 MAVYNHSMWPBTGO-GFCCVEGCSA-N 320.349 -0.238 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1ccc(N(C)C)cn1 1152816705 IYKZFYKDNLLDAH-UHFFFAOYSA-N 303.366 -0.784 30 20 DBED CC#CCN(CC)[C@H](C)CNC(=O)[C@@H]1CCN(C)S1(=O)=O 1155764744 ZCMSXSQLLJNTAQ-OLZOCXBDSA-N 315.439 -0.130 30 20 DBED CC(C)CNC(=O)NC(=O)CNCCCNC(=O)[C@@H](C)C#N 1155849055 SLAGZRVTNYROES-NSHDSACASA-N 311.386 -0.276 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@H]1CC(=O)N[C@H](C)C1 1161589744 VQWAHQOMGFHGDY-VXGBXAGGSA-N 310.398 -0.701 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)[C@]1(C)CCC(=O)NC1 1164442404 ZWDPLWNXUIKAFU-MLGOLLRUSA-N 324.425 -0.311 30 20 DBED C=CCNC(=O)CNCC1(CCNC(=O)Cn2nccn2)CC1 1165229247 XJQLPVUTRWFGIA-UHFFFAOYSA-N 320.397 -0.544 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1cnc(O)cc1C 1166394844 OVKVIDQUYNGNIU-UHFFFAOYSA-N 304.350 -0.445 30 20 DBED CCN(CCC#N)C(=O)CNCCCNC(=O)CN1CCCC1 1176096319 PMHSQJPSGQCZLH-UHFFFAOYSA-N 323.441 -0.060 30 20 DBED C[C@@H](CCCCNCC#N)NC(=O)[C@H]1CCS(=O)(=O)N1 1176639251 QWAGJUMPJZCJID-WDEREUQCSA-N 302.400 -0.534 30 20 DBED N#CCNC(=O)CNCCCNC(=O)[C@@H]1CC12CCOCC2 1177581316 IKADPRXTIBFCNP-LBPRGKRZSA-N 308.382 -0.461 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2c[nH]nc2C)[C@H]1C 1179275336 IBQIRPRSRCKDFR-AAEUAGOBSA-N 303.366 -0.340 30 20 DBED COCC#CCNC[C@]1(C)CN(C(=O)Cn2cnnn2)C[C@H]1C 1180536676 RXGODQHMMZRHQG-UKRRQHHQSA-N 320.397 -0.603 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)c2ccc(O)nn2)C1 1180795552 TYSRSWHSRHMTLO-SNVBAGLBSA-N 305.338 -0.712 30 20 DBED C#CCCNC[C@H]1CCN(C(=O)c2nnc(O)nc2O)C[C@@H]1C 1184749507 ZXMQLIOUPSFMAV-WDEREUQCSA-N 319.365 -0.006 30 20 DBED C#CCNC[C@@H]1CCN(C(=O)CN2C(=O)CCC2=O)C[C@H]1C 1185642950 WDNVFLCNYALUCP-OLZOCXBDSA-N 305.378 -0.157 30 20 DBED CCCCOCC(=O)N1CC[C@@H](N(C)CC(=O)NCC#N)C1 1189480522 MPNMUDAFTDIWEN-CYBMUJFWSA-N 310.398 -0.024 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)c2cccs2)C1 1190786997 VCBQHHSMTCEJCB-QJPTWQEYSA-N 321.402 -0.339 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2cc(C)oc2C)C1 1190936958 NQRALCARNPYKIN-ZIAGYGMSSA-N 319.361 -0.579 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)C2=COCCC2)C1 1191698674 ZERASNTVRBINDZ-MRVWCRGKSA-N 323.393 -0.467 30 20 DBED CC(C)NC(=O)NCCN1C[C@@H](O)[C@H](NC(=O)C#CC2CC2)C1 1192822038 SEKRVVSEUNMUCI-ZIAGYGMSSA-N 322.409 -0.731 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@@H]1CCN(C(=O)c2cnon2)C1 1192976217 AHUVOVUFQYUJNI-WDEREUQCSA-N 305.338 -0.646 30 20 DBED Cc1cnoc1C(=O)N1CC[C@@H](N(C)CC(=O)NCC#N)C1 1193236336 YDWIYXXWHZRGER-LLVKDONJSA-N 305.338 -0.231 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H](C)C(F)(F)F)C1 1195388837 KFCRUPBUTLDMSX-IVZWLZJFSA-N 323.315 -0.352 30 20 DBED C[C@@H](C(=O)N1CCCO[C@@H](CNCC(=O)NCC#N)C1)C1CC1 1200190001 MMFUIYJRGKTRMP-OCCSQVGLSA-N 322.409 -0.121 30 20 DBED C=C(Cl)CNC[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)CCCO1 1201269227 LTSISLPYGRDOGG-MNOVXSKESA-N 316.789 -0.373 30 20 DBED Cn1ncnc1COCC(=O)N1CCCO[C@@H](CNCC#N)C1 1201759191 SVIMHQNWBBHANH-LBPRGKRZSA-N 322.369 -0.938 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)[C@@H]2CN(C)C[C@@H]2C)CC1 1202503427 MWKGLHLQNVEVPB-DZGCQCFKSA-N 320.437 -0.486 30 20 DBED Cc1nc(C)c(C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@H]2C)o1 1206739462 KPXRPVDBXGMZOI-BXKDBHETSA-N 319.365 -0.019 30 20 DBED C#CCCNCC1CCN(C(=O)CS(=O)(=O)N(C)C)CC1 1206904779 MCGDBYZPKOHPGH-UHFFFAOYSA-N 315.439 -0.271 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1NC(=O)CNC(=O)c1ccncc1 1207037504 LHIAWWBCAJKMBE-DGCLKSJQSA-N 301.350 -0.229 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)Cc2cc[nH]n2)C1 1207731452 KRFDESDQIQTRTA-TZMCWYRMSA-N 317.393 -0.329 30 20 DBED C=CCOCCN[C@H]1CCCN(C(=O)Cn2cnnc2O)C1 1207860032 FNKBDMQBIPBMQG-LBPRGKRZSA-N 309.370 -0.233 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)COCC(F)F)C1 1208706010 XHBHSMGFFCVNMI-LLVKDONJSA-N 317.336 -0.402 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)[C@H](CC)NC(C)=O)[C@H](C)C1 1208816965 JXZYCBSQYOOYKE-KWCYVHTRSA-N 324.425 -0.360 30 20 DBED C=CCCN1C[C@@H](NC(=O)CCNS(C)(=O)=O)[C@H](OC)C1 1212359044 IXOGKXOWDQUENJ-VXGBXAGGSA-N 319.427 -0.683 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)CCOC1CCOCC1 1213702950 YLPXJCGHBXLOFX-ZIAGYGMSSA-N 311.382 -0.089 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1C 1214558048 PUPCWICHCQJMFN-GRYCIOLGSA-N 320.397 -0.444 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CC2(O)CCC2)C[C@H]1C 1214574018 WXFQNENKUDVXCY-MGPQQGTHSA-N 321.421 -0.134 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CN(Cc2cn(C(C)(C)C)nn2)C[C@@H]1O 1219381322 OXGLMMDYRXZNQF-UHTWSYAYSA-N 320.397 -0.146 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(CCOCC2CC2)C[C@@H]1O 1219607052 BAWBSLCBXJXNQB-CFVMTHIKSA-N 310.394 -0.387 30 20 DBED C=CCNC(=O)CN1CC[C@@H]2CN(C(=O)[C@H]3COCCO3)[C@@H]2C1 1221284091 OKZDQYDYVQRGTM-MGPQQGTHSA-N 323.393 -0.763 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)C[C@@H](C)COC)[C@@H]2C1 1221907880 QEOHOSHISVGOIJ-RBSFLKMASA-N 321.421 -0.059 30 20 DBED N#CCN[C@H]1CCCN(C(=O)CCNC(=O)[C@@H]2CCCO2)C1 1222122412 IGCLQXMSMZZTAS-STQMWFEESA-N 308.382 -0.224 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)[C@]2(C)CCNC2=O)CC1 1229178086 GIPPWQQIPFIUCC-MRXNPFEDSA-N 322.409 -0.605 30 20 DBED CCO[C@@H](C)C(=O)NCC[C@@H]1CN(CC#N)CCS1(=O)=O 1230425704 QPAHSUZINYOHRI-NWDGAFQWSA-N 317.411 -0.460 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)c1cnc(C)cn1 1230645834 ADFHUCNCJVDVJG-ZDUSSCGKSA-N 315.377 -0.319 30 20 DBED C=CCn1c(-c2ncnn2C)nnc1N1CCN(C)C(=O)[C@H]1C 1262993875 RXPCDDRGQUHNTK-SNVBAGLBSA-N 316.369 -0.074 30 20 DBED N#CCOc1ccc(CNC(=O)CN2C(=O)CNC2=O)cc1 1318260718 PMRDETLHVMHMMO-UHFFFAOYSA-N 302.290 -0.243 30 20 DBED C=C(C)CNC(=O)C(=O)Nc1cnn(CC(=O)NCCOC)c1 1320600277 XFLZGPNJQZHZCC-UHFFFAOYSA-N 323.353 -0.724 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCC[C@H]2CN(C)CC[C@H]21 1323261657 MTDNKKVIUSAFOP-UONOGXRCSA-N 307.394 -0.305 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2C[C@@H](O)C[C@@H](C)C2)C1=O 1325591872 NCBQOXLJILNGRO-FRRDWIJNSA-N 323.393 -0.539 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CCN[C@@H](C(C)C)C2)nn1 1327962544 XWXFXYNURZHYAR-CYBMUJFWSA-N 320.397 -0.463 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCCOCCF)C1=O 1329236912 ZUPQOLYELPUEMP-LLVKDONJSA-N 315.345 -0.666 30 20 DBED CC(C)(C)NC(=O)CCNC(=O)C(=O)N1CC[C@](O)(CC#N)C1 1329332724 OLRBVPZTPNAIEW-OAHLLOKOSA-N 324.381 -0.716 30 20 DBED CNCCCN(C)C(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1329945554 GQWXIKJNUXKBJU-CYBMUJFWSA-N 307.398 -0.747 30 20 DBED COC(=O)N(C)CCNC(=O)C(=O)N1CCC(C)(C#N)CC1 1330200548 AMUMFMVQDKEKES-UHFFFAOYSA-N 310.354 -0.047 30 20 DBED N#Cc1ccc(CN2C(=O)N[C@@H](CCS(N)(=O)=O)C2=O)cc1 1330503461 OGNRHUVDKMHYRD-NSHDSACASA-N 322.346 -0.343 30 20 DBED CCOC[C@@H]1CN(C(=O)C(=O)N2CC[C@](F)(C#N)C2)CCO1 1335087502 ZRCMJBTXRZQZSH-FZMZJTMJSA-N 313.329 -0.286 30 20 DBED N#C[C@H]1CCCN(C(=O)C(=O)N2CC[C@H](N3CCCC3=O)C2)C1 1335634281 YRHOBPIGCQSTBI-OLZOCXBDSA-N 318.377 -0.028 30 20 DBED C=CCn1c(-c2cn(C)c(=O)n(C)c2=O)nnc1N(C)OC 1338867401 KZBIYJMZLZQRAP-UHFFFAOYSA-N 306.326 -0.474 30 20 DBED CCN1CCO[C@@H](C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1 1339747304 PVEACGUVKBVEIY-ODHUPUGDSA-N 322.365 -0.650 30 20 DBED C#CCSCCNC(=O)C(=O)NC[C@@]1(OC)CCOC1 1342541858 WFOVGFNUUSVYQH-ZDUSSCGKSA-N 300.380 -0.609 30 20 DBED C[C@@]1(C#N)CCCN(C(=O)C(=O)N2CCOC[C@H]2CCO)C1 1353106853 DTFKPJFLGHBMLO-DOMZBBRYSA-N 309.366 -0.252 30 20 DBED C[C@H](Cc1cnn(C)c1)NC(=O)Cn1cc(C#N)c(O)nc1=O 1362560402 GURKRJCEYWEISI-SECBINFHSA-N 316.321 -0.699 30 20 DBED Cc1nc(N2CCN(C(=O)[C@@H](C)n3cnc(C#N)n3)CC2)n[nH]1 1362882350 DGOOZLVSMJPPJK-SECBINFHSA-N 315.341 -0.514 30 20 DBED C[C@H](CO)[C@@H]1CCCCN1C(=O)Cn1cc(C#N)c(O)nc1=O 1363239535 MEFJSBLEFUYFSH-PWSUYJOCSA-N 320.349 -0.170 30 20 DBED CC(C)[C@@H](C#N)N1CCN(c2[nH]c(=O)n(C)c(=O)c2C#N)CC1 1364535625 SOWPDGPGQGUTRB-GFCCVEGCSA-N 316.365 -0.385 30 20 DBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)NC[C@@H]1COCO1 1372223348 VAPDKSTXJZVRHX-SECBINFHSA-N 308.342 -0.190 30 20 DBED COC[C@@H](O)CN1CC[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 1377442899 YNTYZSMNJWQXTB-AAEUAGOBSA-N 306.366 -0.055 30 20 DBED COCC(=O)NCCC(=O)NC[C@@H]1CCN1C(=O)[C@@H](C)C#N 1378381944 WHEURIMFFMUCTN-QWRGUYRKSA-N 310.354 -0.984 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@@H]1CCN(C(=O)c2cc(=O)n(C)cn2)C1 1385272589 XBIPNKSIGAHBGX-WDEREUQCSA-N 317.349 -0.387 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)CN(C)CC(C)(C)C)C1 1396393904 XYWHXLYQJCHDBG-YNEHKIRRSA-N 324.425 -0.188 30 20 DBED C[C@H](C#N)C(=O)N(C)C[C@@H]1CCN(C(=O)Cn2ncnn2)C1 1408994149 TWLOSKOPPWDRSO-MNOVXSKESA-N 305.342 -0.860 30 20 DBED N#CCCN1CCN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)CC1 1412471333 UJKRJMQLJQRRRY-UHFFFAOYSA-N 315.337 -0.871 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)CCNC(N)=O 1414259936 NZHOUPGZEXKYSZ-WOPDTQHZSA-N 323.397 -0.052 30 20 DBED COCC(=O)N(C)CC(=O)NC[C@@H]1CCCN1C(=O)[C@@H](C)C#N 1415756649 RBSYCQUJNIQAOU-RYUDHWBXSA-N 324.381 -0.642 30 20 DBED CN(CCNC(=O)c1cc(C#N)c[nH]1)C(=O)CCc1cnn[nH]1 1431199941 OIWLQXVFXZRSBF-UHFFFAOYSA-N 315.337 -0.175 30 20 DBED CC[C@@H](CNC(=O)c1cn(CCOC)nn1)NC(=O)[C@H](C)C#N 1432699719 ZKCWVKDIZGHINH-MNOVXSKESA-N 322.369 -0.291 30 20 DBED CCn1nncc1C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N 1432835653 YCGJPRKQMGFMNQ-UHFFFAOYSA-N 316.325 -0.018 30 20 DBED C[C@H](CNC(=O)CN(C)C(=O)C1CC1)CNC(=O)[C@@H](C)C#N 1432984265 ZBESANSAXGFUGS-MNOVXSKESA-N 308.382 -0.117 30 20 DBED CN(CCNC(=O)CCCn1cncn1)c1ccnc(C#N)n1 1439256773 PSITUBSIYZTWRA-UHFFFAOYSA-N 314.353 -0.027 30 20 DBED N#Cc1cncc(S(=O)(=O)N[C@H](C(N)=O)c2ccccn2)c1 1463757275 SZOUVORDGRPMFE-LBPRGKRZSA-N 317.330 -0.147 30 20 DBED N#CCC1(CS(=O)(=O)N[C@H]2CCc3nnnn3CC2)CC1 1475403678 IZROUIWIIREQRQ-JTQLQIEISA-N 310.383 -0.009 30 20 DBED CO[C@@H](C)C(=O)N1CCC(N(CCO)C(=O)[C@@H](C)C#N)CC1 1490153318 XDMIVEOLMHLUMO-RYUDHWBXSA-N 311.382 -0.007 30 20 DBED Cc1nn(CC(=O)NCC[C@@H](C)NC(=O)[C@@H](C)C#N)c(=O)n1C 1495646786 LNQGTKITXABXDR-VHSXEESVSA-N 322.369 -0.939 30 20 DBED C[C@H](C#N)C(=O)NCCN(C(=O)c1cc(C(N)=O)c[nH]1)C1CC1 1497545573 PSWZMSUXOPMRBM-SECBINFHSA-N 317.349 -0.006 30 20 DBED CC(=O)N(C)CC(=O)N(C)CCN(C)C(=O)c1cc(C#N)c[nH]1 1501032300 PFWWCLBGLKPTKP-UHFFFAOYSA-N 319.365 -0.105 30 20 DBED C=C(C)Cn1c([C@H](C)O)nnc1N1C[C@H]2C(=O)N(C)C(=O)[C@H]2C1 1524098134 SNPNMFGYSHVDFD-GARJFASQSA-N 319.365 -0.042 30 20 DBED C#CCNC(=O)CN1CCC[C@H](NC(=O)CCCC(=O)NC)C1 1566620166 IDYCCCQQCQKGKQ-ZDUSSCGKSA-N 322.409 -0.767 30 20 DBED N#Cc1cncc(CNS(=O)(=O)c2n[nH]cc2C(=O)O)c1 1574248116 CWOLAFZWQFLLSU-UHFFFAOYSA-N 307.291 -0.147 30 20 DBED C#CCOCCN(C)C(=O)[C@@H](C)n1cnc(-c2nn[nH]n2)n1 1588362354 AXWUZOCMBWLIQU-SECBINFHSA-N 304.314 -0.873 30 20 DBED C#CC[C@H](NS(=O)(=O)c1cc(C(=O)OC)n(C)c1)C(=O)O 1588423379 DTXBHVJDKHDPNW-VIFPVBQESA-N 314.319 -0.434 30 20 DBED C=C(CO)C(=O)N1CC[C@@H](Oc2ccc(-c3nn[nH]n3)cn2)C1 1588444302 WKVSDBKHAUWUSI-LLVKDONJSA-N 316.321 -0.210 30 20 DBED C=CC[C@@H](C(=O)O)N(CC)CC(=O)N[C@H]1CCS(=O)(=O)C1 1588729692 SZEUUZFPIBEZQE-QWRGUYRKSA-N 318.395 -0.359 30 20 DBED CC(C)[C@](C)(C#N)NC(=O)Cn1cncc(-c2nn[nH]n2)c1=O 1589419083 ACCCZRMHDNKDPU-ZDUSSCGKSA-N 316.325 -0.522 30 20 DBED CN(CC(C)(C)CNCC(=O)NCC#N)C(=O)[C@@H]1C[C@@H]1C(=O)O 1598423553 HTYYQMSTZAXZED-MNOVXSKESA-N 324.381 -0.579 30 20 DBED CNS(=O)(=O)c1ccc(C(=O)N(CC#N)CC(=O)O)cn1 1598675035 ZEKLAQNTOSULGS-UHFFFAOYSA-N 312.307 -0.960 30 20 DBED COCCOCCOCCn1c(C)nc(C#N)c1-c1nn[nH]n1 1605112542 ZXQHWQAFVDOYJO-UHFFFAOYSA-N 321.341 -0.077 30 20 DBED Cn1cc(-c2nn[nH]n2)c(NC(=O)N[C@@H]2CCCN(O)C2=O)n1 1606223353 NLDHFRZRTOYHKJ-SSDOTTSWSA-N 321.301 -0.898 30 20 DBED N#Cc1nc(NCCCn2cccnc2=O)cnc1-c1nn[nH]n1 1606393475 WOOQWRFRUWIPAF-UHFFFAOYSA-N 324.308 -0.413 30 20 DBED N#Cc1cncc(S(=O)(=O)N2CCC[C@@H](O)[C@H]2C(=O)O)c1 1610633353 IDUVNVJVEPNMJP-MNOVXSKESA-N 311.319 -0.448 30 20 DBED N#Cc1ncn(CC(=O)NCCC(=O)NCc2ccccn2)n1 1645691059 GFRLABWKKVENHA-UHFFFAOYSA-N 313.321 -0.633 30 20 DBED C#CCNC(=O)CN(C)CCN(C)C(=O)[C@@H]1CCCCN1C 1698993919 RLBWOYDGKQQQJF-AWEZNQCLSA-N 308.426 -0.390 30 20 DBED CC(C)[C@H](C(=O)NC[C@@H]1CCCN1CC(=O)NCC#N)N(C)C 1713513227 AWGIIUNYBXAJEF-DZGCQCFKSA-N 323.441 -0.207 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)CCCC(=O)N(C)C)C1 1752405478 PVUVNQMNEXJDDA-CYBMUJFWSA-N 322.409 -0.815 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@H](NC(=O)C[C@H](C)n2cccn2)C1 1752674155 MDHVOCLCCWCSAW-IHRRRGAJSA-N 317.393 -0.180 30 20 DBED C#CCNC(=O)CNC[C@@H]1CCN(C(=O)C2CCOCC2)C1 1752928268 HNEZRISCMQALAR-ZDUSSCGKSA-N 307.394 -0.400 30 20 DBED CCC[C@@H](C(=O)N(C)CCNCC#CCOC)S(N)(=O)=O 1753216828 KFCMYXAFGROZIB-LBPRGKRZSA-N 319.427 -0.859 30 20 DBED C#Cc1ccc(C(=O)NC2CN(CC(=O)NC(=O)NC)C2)cc1 1753383886 NUTFTDXREORFRE-UHFFFAOYSA-N 314.345 -0.463 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@H](C)N(C)C(=O)c1ncn(C)n1 1753689156 IAMTXVHNXJXLJR-WDEREUQCSA-N 306.370 -0.997 30 20 DBED C=CCN1CC[C@H](NC[C@H](O)CNC(=O)c2coc(C)n2)C1=O 1753908019 DJUPGAQPJYIMGG-RYUDHWBXSA-N 322.365 -0.550 30 20 DBED C#CCNC[C@@H](O)CNC(=O)c1cc([C@@H]2CCCN2C)[nH]n1 1753920003 MHVGIKQZHFVZEZ-RISCZKNCSA-N 305.382 -0.510 30 20 DBED C=CCn1cc(C(=O)NC[C@H](O)CNCc2nocc2C)nn1 1753931033 WVVORXAZJQYELT-LLVKDONJSA-N 320.353 -0.359 30 20 DBED C#CCNC(=O)CNC[C@@H](C)NC(=O)c1c(O)nnc(C)c1C 1754237179 VVIZSLWCTNJARV-SECBINFHSA-N 319.365 -0.744 30 20 DBED CNS(=O)(=O)CCC(=O)N1CC[C@](C)(CNCC#N)C1 1754694265 DQGOKSWGKFXUHV-GFCCVEGCSA-N 302.400 -0.723 30 20 DBED C=CCNC(=O)CNC[C@@H]1CN(C(=O)Cn2cncn2)C[C@@H]1C 1754827874 ZWGBJJYDZVLPJR-QWHCGFSZSA-N 320.397 -0.736 30 20 DBED C#CCCN[C@H](C)CN(C)C(=O)CCc1nnc(O)nc1O 1755593560 AJOGIAJSPKHVFU-SNVBAGLBSA-N 307.354 -0.325 30 20 DBED Cc1nc([C@@H](C)N[C@H](CO)CNC(=O)CSCC#N)no1 1755623398 FKIFTONMJUGUKY-SCZZXKLOSA-N 313.383 -0.238 30 20 DBED C#CCN[C@@H]1CCN(C(=O)CCS(=O)(=O)N(C)C)[C@@H]1C 1755666496 FAEDMLLMNLHJOT-VXGBXAGGSA-N 301.412 -0.520 30 20 DBED C#CCCCC(=O)N[C@H](C)[C@H]1CN(C(=O)CC(N)=O)CCO1 1756217970 QJQZKIGSYQQZPW-VXGBXAGGSA-N 309.366 -0.603 30 20 DBED C#CCO[C@H](C)C(=O)NCCC[C@@H](C)NC(=O)c1nnn(C)n1 1756334374 LTSSJMCZYQCWET-GHMZBOCLSA-N 322.369 -0.737 30 20 DBED C#CCCCC(=O)NC[C@@H](CO)NC(=O)c1n[nH]c(C)c1O 1756514908 BFWPTMJRZSYRBN-JTQLQIEISA-N 308.338 -0.566 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2CN(C(=O)COCC)C[C@@H]2O)c1 1757209519 YAVGWNOANNRJLB-KGLIPLIRSA-N 317.345 -0.599 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@H]1C[C@@H](CNC(=O)Cn2cnnn2)C1 1757310024 YOHDCLCZERIIFP-UHIISALHSA-N 322.369 -0.989 30 20 DBED N#CCSCC(=O)NC[C@H]1C[C@@H](NC(=O)Cc2nc[nH]n2)C1 1757313477 WRLZLHOSJQFLHZ-AOOOYVTPSA-N 322.394 -0.385 30 20 DBED N#CCSCC(=O)N1CC[C@@H](NC(=O)c2ccon2)[C@@H](O)C1 1757562914 RUHHZGSAEYJKRY-KOLCDFICSA-N 324.362 -0.377 30 20 DBED C=CCC(=O)N1CCO[C@]2(CCN(C(=O)CCC(N)=O)C2)C1 1783160066 YLRKSPBQFMYXBV-HNNXBMFYSA-N 309.366 -0.342 30 20 DBED Cn1nccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC#N)C2 1794783338 SQPMGMKOGDTAIM-GNXNZQSNSA-N 317.349 -0.463 30 20 DBED N#CCC(=O)NC[C@@H]1CCN(C(=O)CN)[C@@H]1c1cccnc1 1806279507 MDXOUZHWFZUJPK-SWLSCSKDSA-N 301.350 -0.040 30 20 DBED CCOC(=O)N[C@H](O)C(=O)N1CCCC12CN(C(=O)CC#N)C2 1844157130 VVXKCUBCYJCDOY-LLVKDONJSA-N 324.337 -0.832 30 20 DBED CC(C)(C)[C@H](O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C#CC(=O)O 1847527494 RFWRIQOFBNODIU-COPLHBTASA-N 322.361 -0.317 30 20 DBED C=CCNC(=O)CN(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 71010965 ISESRZNOFNYZSI-CHWSQXEVSA-N 316.423 -0.043 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)c2cnn(CC)c2)CC1 74690642 PGUGLJMNBUEVEM-UHFFFAOYSA-N 305.382 -0.037 30 20 DBED N#CCN(CC#N)C(=O)CCn1[nH]c(=O)c2ccccc2c1=O 126635622 IZVZTUSSQGLYRQ-UHFFFAOYSA-N 311.301 -0.044 30 20 DBED N#Cc1c(CN2CCN3C(=O)C(=O)NC[C@@H]3C2)cn2ccccc12 152607527 IYKVDTXNYMWHPC-CYBMUJFWSA-N 323.356 -0.046 30 20 DBED N#C[C@H]1COCCN1C(=O)CCn1nnc2ccccc2c1=O 173121969 BFPCPPDKHOTQKM-NSHDSACASA-N 313.317 -0.067 30 20 DBED C=CCCN(C)C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 276123136 KBUIBNZVJXQCHC-UHFFFAOYSA-N 305.338 -0.532 30 20 DBED CCOC(=O)CO/N=C(/C(=O)N[C@H](CC)CO)c1cc[nH]n1 278859946 XEDNYCUVVGBHOV-OTIXUJTRSA-N 312.326 -0.419 30 20 DBED Cn1cc(C#N)c(=O)n(C[C@@H](O)COCC(F)(F)F)c1=O 292578908 ZILHSPWEUIXCLG-MRVPVSSYSA-N 307.228 -0.642 30 20 DBED Cn1nnc(C/N=C(/O)N2CCC[C@H](CN3CCOCC3)C2)n1 328761018 XRCNBQKTRFFXMN-GFCCVEGCSA-N 323.401 -0.332 30 20 DBED CCNS(=O)(=O)[C@@H]1CCN(/C(O)=N/CC2(C)COC2)C1 329105341 HBBMLRDXKHZBMO-SNVBAGLBSA-N 305.400 -0.050 30 20 DBED CN1CCO[C@H](CN/C(O)=N/CCN2CCOC(C)(C)C2)C1 329115877 NAJBVORDDNVIFR-CYBMUJFWSA-N 314.430 -0.069 30 20 DBED COC(=O)CSCC/N=C(/O)N1CCS(=O)(=O)CC1 330633297 SBYUSWUPGLCEEM-UHFFFAOYSA-N 310.397 -0.463 30 20 DBED CNC(=O)[C@@H]1CN([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CCO1 330803294 IFSOSTPXIFYTOW-TYNCELHUSA-N 310.398 -0.124 30 20 DBED CC(C)(O)CN1CCN(/C(O)=N/CCCS(C)(=O)=O)CC1 330957118 CKFNOKRJLRUWLV-UHFFFAOYSA-N 321.443 -0.276 30 20 DBED CC(C)N1CCC[C@H](NS(=O)(=O)N2CCO[C@@H](C#N)C2)C1 336956018 ZACNDLZWGQGRIV-STQMWFEESA-N 316.427 -0.082 30 20 DBED C[C@H]1C[C@@H](N2CCOCC2)CN1S(=O)(=O)N(C)CCC#N 352595743 CNEPEYXAFQMSRR-QWHCGFSZSA-N 316.427 -0.128 30 20 DBED N#CCC1(O)CN(C(=O)CNC(=O)Cc2ccc(O)cc2)C1 356884163 SEFTWQKAPVDOSN-UHFFFAOYSA-N 303.318 -0.462 30 20 DBED N#CCNS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 357381988 DUBJPXMJQPOATH-UHFFFAOYSA-N 314.348 -0.710 30 20 DBED N#CCNC(=O)CNC(=O)NC[C@H](O)CCc1ccccc1 358279178 RWGDDUYJXGYAHZ-CYBMUJFWSA-N 304.350 -0.081 30 20 DBED Cc1cc(NC(=O)[C@@H]2CN3CCCN2CC3)nn1CCC#N 367221922 UVMJBGHXFPSVFE-ZDUSSCGKSA-N 302.382 0.434 30 20 DBED C=CCC[C@@H](CO)NC(=O)CNS(=O)(=O)c1cccnc1 412400165 JQVUVRJXFSSCCM-NSHDSACASA-N 313.379 -0.197 30 20 DBED C=CCOCCCC(=O)N1C[C@@H](O)[C@H](N(C)CC(=O)O)C1 435706448 OGPHFBJQDHONQW-VXGBXAGGSA-N 300.355 -0.443 30 20 DBED CNC(=O)[C@@]1(C)CCN(C(=O)CNc2ccc(C#N)cn2)C1 435972906 MMRJCWYLZLVVAD-HNNXBMFYSA-N 301.350 0.350 30 20 DBED CC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N 443108192 MIUSGVDMPFNCBC-UHFFFAOYSA-N 312.307 -0.119 30 20 DBED C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N(CC#N)C1CC1 446020483 RBEJVDKBKPRBHH-VIFPVBQESA-N 311.367 -0.399 30 20 DBED C=CCNC(=O)CNS(=O)(=O)C1(CC(=O)OCC)CC1 451380362 XJCPYRWGXDFYCE-UHFFFAOYSA-N 304.368 -0.306 30 20 DBED C#CCNC(=O)CN1CCN(CCCN2CCCC2=O)CC1 491209974 OHOOLSFOEKNCDV-UHFFFAOYSA-N 306.410 -0.634 30 20 DBED C=CCN(CC=C)C(=O)CN1C(=O)NC2(CCNCC2)C1=O 576397276 WVUFCLFZDFCXOO-UHFFFAOYSA-N 306.366 -0.139 30 20 DBED CS(=O)(=O)N1CCCC[C@H]1C(=O)N1CC[C@@](O)(CC#N)C1 592837894 LCIPYNYVRFKXIS-AAEUAGOBSA-N 315.395 -0.322 30 20 DBED CC[C@@H](C#N)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 593473171 PAWNNPFPVLDZDQ-NSHDSACASA-N 305.338 0.230 30 20 DBED Cn1nnc2c1CC[C@@H](NS(=O)(=O)c1ccc(C#N)nc1)C2 594480141 ZQIRBPIIWNEHSF-SECBINFHSA-N 318.362 -0.082 30 20 DBED N#CCCN1CCN(C(=O)C(=O)N2CC[C@@]3(CCNC3)C2)CC1 601586115 ZZXUMHKWSZMEIY-MRXNPFEDSA-N 319.409 -0.744 30 20 DBED N#C[C@@]1(F)CCN(C(=O)CCn2cc(S(N)(=O)=O)cn2)C1 615823624 RNSMZOHQHBYGBV-NSHDSACASA-N 315.330 -0.615 30 20 DBED CO[C@@H](CNc1c(C#N)c(=O)n(C)c(=O)n1C)C(F)(F)F 733303193 IALITPAKOYRDLQ-ZETCQYMHSA-N 306.244 -0.055 30 20 DBED N#Cc1c(NCC(=O)N2CCOCC2)cccc1S(N)(=O)=O 755019419 KWSCTJFPLNVAGJ-UHFFFAOYSA-N 324.362 -0.524 30 20 DBED C#CCOCCC(=O)O[C@@H](C)C(=O)N1CCC[C@H](C(N)=O)C1 756310560 XILKVZKMHSUNQB-RYUDHWBXSA-N 310.350 -0.318 30 20 DBED C#C[C@H](NC(=O)N1CCS(=O)(=O)C[C@@H]1C)[C@@H]1CCCO1 773559181 ORIJLHUGVCFVIL-SRVKXCTJSA-N 300.380 -0.004 30 20 DBED C#CCOCCNS(=O)(=O)c1csnc1C(=O)OC 784452195 RXBRDRQAYKCUPO-UHFFFAOYSA-N 304.349 -0.142 30 20 DBED CNC(=O)NCCC(=O)[C@H](C#N)C(=O)NCCCOC(C)C 796739737 FDOBDNSMADWNJG-NSHDSACASA-N 312.370 -0.054 30 20 DBED N#C[C@H]1CN(S(=O)(=O)NC[C@H]2CSCCS2)CCO1 800074242 GUZMQAGCIGLLBC-UWVGGRQHSA-N 323.465 -0.106 30 20 DBED C#CCNC(=O)COC(=O)[C@H]1COCCN1CC(F)(F)F 801348956 YELAEBGRUPORSP-SECBINFHSA-N 308.256 -0.458 30 20 DBED C#CCCS(=O)(=O)NC[C@@H]1CCC[C@]12NC(=O)N(C)C2=O 808299826 RBJXKMFUNQTAOS-GWCFXTLKSA-N 313.379 -0.350 30 20 DBED C#CCN1CCN(c2nnc([C@@H]3CNC(=O)C3)n2CC=C)CC1 818148196 PGQPCIIEASWPQC-ZDUSSCGKSA-N 314.393 -0.177 30 20 DBED C#CCN(C)CCCNC(=O)Cn1nnc2ccccc2c1=O 818593333 ULEFTUCZTMPYMZ-UHFFFAOYSA-N 313.361 -0.137 30 20 DBED C[C@@](C#N)(CC(=O)O)C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 819821699 JJFUKGAXSJETHX-SKDRFNHKSA-N 317.367 -0.469 30 20 DBED CN(Cc1cccc(C#N)c1)C(=O)Cn1cnc(-c2nn[nH]n2)n1 821613350 JAEKWXNGZWEFFS-UHFFFAOYSA-N 323.320 -0.012 30 20 DBED COC(=O)CCCS(=O)(=O)NC(=O)c1ccc(C#N)n1C 835163361 OFMVUDWYOUBCAG-UHFFFAOYSA-N 313.335 -0.090 30 20 DBED CN(C)S(=O)(=O)NCCNC(=O)C#Cc1cccs1 837637652 VAZLXSJJAZLIKE-UHFFFAOYSA-N 301.393 -0.388 30 20 DBED C#CCOc1ccc(NC(=O)C(=O)N[C@H](CO)[C@@H](C)O)cc1 839599170 VEEQKFIERQMZHE-ZWNOBZJWSA-N 306.318 -0.505 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@@H](CC(=O)O)C1CC1 844789918 PNYSIOZAFHJUTH-NSHDSACASA-N 319.383 -0.064 30 20 DBED C#CC[C@@H](CO)NC(=O)CCc1c(C)nc2nc(N)nn2c1C 854547383 FJUDTBQSTXKOEH-NSHDSACASA-N 316.365 -0.244 30 20 DBED C#CCN1CCC(C(=O)N[C@H]2CS(=O)(=O)C[C@@H]2OC)CC1 855477138 VQHAQVBKOKYIQB-STQMWFEESA-N 314.407 -0.740 30 20 DBED N#CCCN1CCN(Cn2nnn(-c3ccccc3)c2=O)CC1 872735262 JLIMRZZFYCJGMD-UHFFFAOYSA-N 313.365 -0.082 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H]2C[C@H]2C)CC1 892060370 JGNHEBHQSYZOLC-VXGBXAGGSA-N 314.411 -0.563 30 20 DBED C#CCN1CCC[C@@H](NC(=O)Cn2cc(C(=O)OC)cn2)C1 923548799 AABCITDLLISFLI-CYBMUJFWSA-N 304.350 -0.117 30 20 DBED CCOC(=O)[C@@]1(COC)CCCN(C(=O)NCC#CCO)C1 923767788 CFRNTKHQJUWXFQ-HNNXBMFYSA-N 312.366 -0.017 30 20 DBED CCN(CC)C(=O)CN1CCCN(C(=O)NCC#CCO)CC1 923787375 HTIJACPXKKIECC-UHFFFAOYSA-N 324.425 -0.432 30 20 DBED N#Cc1cc(C(=O)N2CC[C@@H](NC(=O)[C@H]3CCNC3=O)C2)c[nH]1 942001564 LRQBOAIHXZLDMI-PWSUYJOCSA-N 315.333 -0.647 30 20 DBED C#CCN1CC[C@@H](NC(=O)CN2CCCS2(=O)=O)C[C@@H]1C 947365866 VBZVYPBKRIXLBM-QWHCGFSZSA-N 313.423 -0.376 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CNC(=O)[C@H]2C[C@H]2C(N)=O)CC1 949386862 DBRUMKFSAFWJTA-JLLWLGSASA-N 306.366 -0.378 30 20 DBED O=C(Cn1cnnn1)N[C@H]1CCCN(C(=O)C#CC2CC2)C1 950753828 LRGFZONMOPGBHL-LBPRGKRZSA-N 302.338 -0.806 30 20 DBED N#Cc1cc(C(=O)N2CC[C@@H]3CCN(C(=O)C(N)=O)C[C@H]32)c[nH]1 953450518 UBTNKNIDKQCDIX-JOYOIKCWSA-N 315.333 -0.565 30 20 DBED C#CCCN1C[C@@H](O)[C@H](CNC(=O)c2cn3c(n2)COCC3)C1 958179225 KCAWIJXTZLTGPO-TZMCWYRMSA-N 318.377 -0.541 30 20 DBED N#CCN1C[C@H](CNC(=O)c2cc3n(n2)CCCO3)[C@@H](O)C1 958252690 CEUZLCRTZMFSOT-JQWIXIFHSA-N 305.338 -0.788 30 20 DBED C=CCN1C[C@H](O)[C@H](CNC(=O)c2ccc(C(N)=O)nc2)C1 958748350 LHWPUCXLEVOGQI-YPMHNXCESA-N 304.350 -0.611 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cnsn1 960076761 FKWUQSWRPUIRAM-DVVUODLYSA-N 321.362 -0.250 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@H](NC(=O)Cc2n[nH]c(C)n2)C1 962879183 QGZUPYYQOCUTTF-MNOVXSKESA-N 321.381 -0.444 30 20 DBED CC#CCN1CC[C@H](C)[C@@H](NC(=O)c2cnc(O)n(C)c2=O)C1 967702879 WQCYQHASNRBABS-AAEUAGOBSA-N 318.377 -0.051 30 20 DBED C#CCN1CC([C@H](C)NC(=O)[C@@H]2CCc3nnnn3CC2)C1 970457665 MXWIWDBGZCTESN-NWDGAFQWSA-N 302.382 -0.305 30 20 DBED C#CCN(C)[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 971526005 SLZGYOINRNAVIX-CHWSQXEVSA-N 315.377 -0.072 30 20 DBED N#CCN1CCO[C@@]2(CCN(C(=O)CCn3ccnn3)C2)C1 972357745 MJQXDOOGIVJAGA-AWEZNQCLSA-N 304.354 -0.505 30 20 DBED C=C(C)CN1CCO[C@@]2(CCN(C(=O)[C@H]3CNC(=O)N3)C2)C1 972527062 PYQRILGNKMHBGY-DOMZBBRYSA-N 308.382 -0.453 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)[C@@]3(C)CCNC3=O)C2)C1 972549655 PNBFTWVGQSNMJS-JKSUJKDBSA-N 305.378 -0.551 30 20 DBED Cn1cc(C(=O)N[C@H]2C[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)nn1 973190216 CBGSHSWVYBXURY-MGCOHNPYSA-N 313.321 -0.294 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2[C@@H]3CN(C[C@@H](C)O)C[C@H]23)nn1 978816069 KWRVCKOFPORVMK-LPWJVIDDSA-N 305.382 -0.248 30 20 DBED CC#CCN1C[C@@H]2CC[C@@H](NC(=O)Cn3ncnn3)C[C@H]2C1 979708974 GCLDXTXHLHSJCQ-MELADBBJSA-N 302.382 -0.087 30 20 DBED C#CCN[C@H]1CCC[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C1 981124856 MPSPLRDMLZVGPG-STQMWFEESA-N 318.377 -0.803 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCCN([C@H]2CCNC2=O)CC1 981361496 PXZNAHBGADSSJA-GJZGRUSLSA-N 318.421 -0.493 30 20 DBED Cn1oc(C(=O)NC2CN(C(=O)c3cc(C#N)c[nH]3)C2)cc1=O 991038758 LWRSFELGIMNVKB-UHFFFAOYSA-N 315.289 -0.568 30 20 DBED C#CCN1CCC[C@H](NC(=O)CN2CCC(=O)NC2=O)[C@@H]1C 994166528 KVVSATFJCMWCKZ-RYUDHWBXSA-N 306.366 -0.469 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2cnc(O)n(C)c2=O)CC1(C)C 996121610 SVCLHAGBPVDDRE-LLVKDONJSA-N 304.350 -0.441 30 20 DBED C#CCN[C@H]1CN(C(=O)c2nccnc2C(N)=O)CC1(C)C 996582590 BIVCSUPBLXBKJC-JTQLQIEISA-N 301.350 -0.351 30 20 DBED C=CCn1cc(C(=O)N2CC(NC(=O)c3csnn3)C2)nn1 996596841 VMJQOXQHLICNKC-UHFFFAOYSA-N 319.350 -0.430 30 20 DBED N#CCNC1CCN(C(=O)[C@H]2CN3CC4CC3(CO2)C4)CC1 996814987 YQQZKUBZSMBOEJ-CXOJTPOUSA-N 304.394 -0.046 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)c3cnn(CC)n3)C2)nc1 997087796 MEVRKCORSWXPLK-UHFFFAOYSA-N 324.344 -0.071 30 20 DBED Cn1[nH]c(CNCC2CCN(C(=O)C#CC3CC3)CC2)nc1=O 997763512 BGXYPSDSRZPCKA-UHFFFAOYSA-N 317.393 -0.150 30 20 DBED C=CCN1CC[C@H](n2cc(CNC(=O)c3cnn[nH]3)nn2)C1 1000004461 UIFNOTTYANHOOD-NSHDSACASA-N 302.342 -0.241 30 20 DBED C[C@]1(CC(=O)N2CCC[C@H](NCC#N)C2)CCS(=O)(=O)N1 1000789033 KTJAQRXSOXXLCX-WCQYABFASA-N 314.411 -0.438 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)COC)C1 1006323668 YUTOOBVJWUNECU-OCCSQVGLSA-N 307.394 -0.307 30 20 DBED C[C@@H](C#N)C(=O)N1CC=C(CNC(=O)c2c[nH]c(=O)cn2)CC1 1017681917 DLYLXDRYBRHPFR-JTQLQIEISA-N 315.333 -0.182 30 20 DBED C#CCCN1C[C@@H]2CC[C@H](C1)N2C(=O)C1CC(=O)NC(=O)C1 1018062493 YOUDRVSNPSBJNM-BETUJISGSA-N 303.362 -0.262 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(C1)CN(C(=O)[C@@H]1CCN(C)C1=O)C2 1019301258 LGTFZEVLABKKDO-NWDGAFQWSA-N 318.377 -0.315 30 20 DBED CN(CC#N)[C@H]1CCCN(C(=O)[C@H]2CCN(C)S2(=O)=O)C1 1027612687 OCEVZRCSUQIAQR-NWDGAFQWSA-N 314.411 -0.533 30 20 DBED C[C@@H](c1nnnn1C)N1C[C@@H]2C[C@H]1CN2C(=O)C#CC1CC1 1032396639 BGONIFBYFYQNIP-DRZSPHRISA-N 300.366 -0.030 30 20 DBED CC(=O)N1CCC[C@@H](C(=O)NC[C@@H]2CN(CC#N)CCO2)C1 1035437329 HBVNXAFEVRXDLO-ZIAGYGMSSA-N 308.382 -0.415 30 20 DBED C#CCCN1C[C@H]2C[C@H]1[C@H]2NC(=O)Cc1ccc(C(N)=O)nc1 1037465631 SKJKWVRYSOUGOG-INWMFGNUSA-N 312.373 -0.065 30 20 DBED N#Cc1ccc(C(=O)NC[C@@H]2CCN2CCN2CCNC2=O)[nH]1 1038171833 BWCIQIOFHSFRTL-LBPRGKRZSA-N 316.365 -0.284 30 20 DBED CCC(=O)N1CCC(=O)NCCN(c2ccnc(C#N)n2)CC1 1039658951 GLBDUVJKAPQLNR-UHFFFAOYSA-N 316.365 -0.087 30 20 DBED C#CCOCCC(=O)NC[C@]1(O)CCN(C(=O)[C@@H](F)CC)C1 1039721922 PTINVXGJWFTWIZ-SWLSCSKDSA-N 314.357 -0.146 30 20 DBED C=CCCC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2CCC(=O)N2C)C1 1040592796 BNOOUXVAYHWZSM-BLLLJJGKSA-N 323.393 -0.347 30 20 DBED CC(C)(C)C#CC(=O)N1CC[C@@](O)(CNC(=O)c2cnon2)C1 1040666138 QGUKXCJELYORAH-OAHLLOKOSA-N 320.349 -0.188 30 20 DBED Cc1nonc1CC(=O)NC[C@]1(O)CCN(C(=O)[C@@H](C)C#N)C1 1040778061 CVANRPGZFOIHOZ-LKFCYVNXSA-N 321.337 -0.840 30 20 DBED CC(C)C#CC(=O)N1CC[C@@](O)(CNC(=O)CCN(C)C)C1 1040797140 BBGNBZDKIHHGNL-MRXNPFEDSA-N 309.410 -0.323 30 20 DBED CN1CC[C@H](C(=O)N[C@@H]2CN(c3ccc(C#N)cn3)C[C@H]2O)C1 1041049885 URRJMZXTPPAMCV-BFHYXJOUSA-N 315.377 -0.429 30 20 DBED Cn1cnn(CC(=O)N2CC[C@]3(CCN(CC#N)C3)C2)c1=O 1041422443 NYCDFRAFSMBEOY-AWEZNQCLSA-N 304.354 -0.970 30 20 DBED CN1CC(=O)N(CC(=O)N2CC[C@]3(CCN(CC#N)C3)C2)C1=O 1041820464 QWMKPRWQMINURN-HNNXBMFYSA-N 319.365 -0.672 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)[C@H](CC)OC)C1 1042040875 ZWJNSIVMLPGXIX-NSHDSACASA-N 300.355 -0.697 30 20 DBED C=C(C)C[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2cnnn2C)C1 1042856495 NGDQEIXZZJYWKT-LLVKDONJSA-N 321.381 -0.280 30 20 DBED C=C(C)CCC(=O)NCC1(O)CN(C(=O)c2cn(CC)nn2)C1 1043310404 HSVZHPKERAXXFA-UHFFFAOYSA-N 321.381 -0.043 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(c2cc(F)ncn2)C[C@@H]1O 1044560471 YFTREKOZNFNOFZ-WYUUTHIRSA-N 322.340 -0.128 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)Cc2ccc(O)nc2)C1 1045560111 SILUHKNZOJUGIE-JTQLQIEISA-N 318.333 -0.821 30 20 DBED C[C@H]1C[C@@H]1CC(=O)NCC1(O)CN(C(=O)CSCC#N)C1 1045743602 DOPRCXHOGPFGCI-WDEREUQCSA-N 311.407 -0.021 30 20 DBED Cn1nccc1C(=O)N1CCN([C@H]2CCN(CC#N)C2)CC1 1046010632 QHKHBISYJKUMSI-ZDUSSCGKSA-N 302.382 -0.224 30 20 DBED C=C(C)CN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCN(C(N)=O)C2)C1 1047449620 ICFXGEYESPHIOJ-IHRRRGAJSA-N 324.425 -0.143 30 20 DBED C#Cc1ccc(C(=O)N(C)[C@H]2CN([C@H](C)C(N)=O)C[C@@H]2O)nc1 1047602022 VLTNKQAELUDXSJ-SWHYSGLUSA-N 316.361 -0.946 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cncc(C(N)=O)c2)C1 1047632069 XPPLAUHEGHSDNJ-KBPBESRZSA-N 316.361 -0.679 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C(N)=O)cn2)C1 1047645062 DAHWHPXNJNGJFI-KBPBESRZSA-N 316.361 -0.679 30 20 DBED Cc1nonc1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C#CC(C)C)C1 1048806463 BTOUAGOPVNXVND-RYUDHWBXSA-N 320.349 -0.319 30 20 DBED COc1nc(C)ncc1C(=O)NC[C@@H]1COCCN1CC#N 1050947526 YVMHOEICZAYTKO-LLVKDONJSA-N 305.338 -0.252 30 20 DBED N#CCN1CCOC[C@H]1CNC(=O)[C@H]1CCCCS1(=O)=O 1050953633 IYQDXAVRLAAHMY-VXGBXAGGSA-N 315.395 -0.706 30 20 DBED COCC(=O)N1CCC(N(CCO)c2nccnc2C#N)CC1 1051483746 IIZIHMCEJHQFIE-UHFFFAOYSA-N 319.365 -0.216 30 20 DBED N#Cc1nccc(N2CC[C@H](NC(=O)c3cnon3)[C@H](O)C2)n1 1051720299 XXKCXCDERFDQEL-WCBMZHEXSA-N 315.293 -0.899 30 20 DBED N#Cc1ccc(F)cc1CNC[C@H]1CN(C(=O)C(N)=O)CCO1 1051796668 TUKMBNNTHQEVKN-ZDUSSCGKSA-N 320.324 -0.500 30 20 DBED N#Cc1cncc(NC2CC(CNC(=O)[C@H]3CCC(=O)N3)C2)n1 1051874197 WZCOQEUILASZFG-RTYFJBAXSA-N 314.349 -0.066 30 20 DBED CC#CCN1CCN([C@@H]2CCN(C(=O)Cc3nc[nH]n3)C2)CC1 1052107028 ZFZKHKKLHIGKST-CQSZACIVSA-N 316.409 -0.411 30 20 DBED C#CCN[C@H]1CN(C(=O)c2nc(C)n(-c3nc[nH]n3)n2)C[C@@H]1C 1054953128 AIVLCCUFQCLCQG-ONGXEEELSA-N 314.353 -0.623 30 20 DBED C[C@@H](C(=O)N(CCO)CCNC(=O)[C@H](C)C#N)n1cccn1 1057050106 YOLMDNZPAMFXKL-NEPJUHHUSA-N 307.354 -0.459 30 20 DBED O=C(C#CC1CC1)NCCN(CCO)C(=O)c1cnsn1 1057087321 MLESOFCNIQOVNW-UHFFFAOYSA-N 308.363 -0.498 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCN(CCO)C(=O)c1cncn1C 1058029338 AZGZNMLUQSOMLQ-OAHLLOKOSA-N 324.381 -0.702 30 20 DBED N#Cc1cnc(N2CCC[C@@H](NC(=O)[C@@H]3COCCO3)C2)cn1 1058120663 UBSMTKSHFHZTBK-YPMHNXCESA-N 317.349 -0.151 30 20 DBED C=CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)c1ncccn1 1058522868 ZKTJEDKELBCMQA-LBPRGKRZSA-N 322.365 -0.382 30 20 DBED Cc1ncc(CC(=O)NCCN(CCO)C(=O)[C@@H](C)C#N)o1 1058656496 FAVVGYUGVHCTST-JTQLQIEISA-N 308.338 -0.378 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)C[C@@H]1CCCOC1 1058658725 KBTIKORVAPMDCM-STQMWFEESA-N 311.382 -0.100 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)C1(F)CCOCC1 1058660865 JVMUGFFRGXSIMO-NSHDSACASA-N 315.345 -0.398 30 20 DBED C=C(C)CCC(=O)NCCN(CCO)C(=O)[C@@H](COC)OC 1058758262 KCYXSDKVDNGJSS-CYBMUJFWSA-N 316.398 -0.059 30 20 DBED CC(=O)N(C)CC(=O)N1CC[C@@H](CCNC(=O)[C@@H](C)C#N)C1 1059199334 DIHFAPZTQFLVHO-WCQYABFASA-N 308.382 -0.021 30 20 DBED CCCC(=O)NCC(=O)NC[C@@H]1COCCN1C(=O)[C@@H](C)C#N 1061373932 SVDVINFZAGQODU-NWDGAFQWSA-N 324.381 -0.594 30 20 DBED C=CCOCC(=O)N1CCOC[C@@H]1CNC(=O)[C@H](CC)OC 1061397627 WWVKDXIPDHVNPU-STQMWFEESA-N 314.382 -0.042 30 20 DBED CCNC(=O)CCC(=O)NC[C@@H]1COCCN1C(=O)[C@@H](C)C#N 1061420128 VBBQDBCSRPKSSI-NWDGAFQWSA-N 324.381 -0.594 30 20 DBED C=CCO[C@@H](C)C(=O)NC[C@@H]1COCCN1C(=O)c1cnon1 1061668188 MROCDWSXWLSEOL-WDEREUQCSA-N 324.337 -0.382 30 20 DBED Cc1cc(C(=O)N2CCOC[C@@H]2CNC(=O)[C@H](C)C#N)n(C)n1 1061845942 LZRSKZHOKNKCBK-PWSUYJOCSA-N 319.365 -0.155 30 20 DBED N#Cc1cncc(N2C[C@@H]3C[C@H]2CN3C(=O)CCc2nc[nH]n2)n1 1062471948 PZMGDYQNGHMLIF-RYUDHWBXSA-N 324.348 -0.111 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)c2cc(=O)n(C)cn2)CCC1 1063483407 LOPFTXSDHDKVIB-SNVBAGLBSA-N 317.349 -0.291 30 20 DBED Cn1cc(C(=O)N[C@@]2(C)CCN(c3ccc(C#N)nn3)C2)nn1 1065247731 QLSIRMFBXQBDGF-AWEZNQCLSA-N 312.337 -0.124 30 20 DBED C=CCCOCC(=O)N1CCO[C@H](CNC(=O)COCC)C1 1065279770 GGQLXNBSOPHLQJ-CYBMUJFWSA-N 314.382 -0.041 30 20 DBED C[C@]1(NC(=O)[C@@H]2CCNC2=O)CCN(c2ccc(C#N)nn2)C1 1065312579 SJWFDWXKYIRGJC-ABAIWWIYSA-N 314.349 -0.431 30 20 DBED C=CCCCC(=O)NC[C@H]1CN(C(=O)[C@@H]2CCNC2=O)CCO1 1065420283 HSXZXRBZABDWRE-QWHCGFSZSA-N 323.393 -0.178 30 20 DBED N#Cc1ccc(N[C@]2(CO)CCCN(C(=O)C(N)=O)C2)cn1 1066920321 PMJLGAHPZPJHPW-CQSZACIVSA-N 303.322 -0.796 30 20 DBED C=CCOCC(=O)N(C)CCCN(C)C(=O)Cn1ncnn1 1066998898 HZBHQAXETJPXLA-UHFFFAOYSA-N 310.358 -0.817 30 20 DBED CN1C[C@H](C(=O)NCc2cnn3c2CN(CC#N)CC3)CC1=O 1069862143 BOZSVHXDGNCCJK-LLVKDONJSA-N 316.365 -0.683 30 20 DBED C#CCN1CCn2ncc(CNC(=O)c3c[nH]c(=O)cn3)c2C1 1069871954 SHXDAAQLGBXZFS-UHFFFAOYSA-N 312.333 -0.655 30 20 DBED C=C[C@](C)(CC)C(=O)NCC1(NC(=O)C(N)=O)CCOCC1 1070228525 DCWZZJHSFXYYRY-CQSZACIVSA-N 311.382 -0.144 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCCN(C(=O)c2ncc[nH]2)C1 1070695639 LDILEVHKQBVYPH-LLVKDONJSA-N 317.349 -0.730 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CCCN(C(=O)[C@H]2CNC(=O)N2)C1 1071208134 XAIQKGAYYLDZKS-VXGBXAGGSA-N 304.350 -0.812 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](NC(=O)c2ccon2)[C@H](C)C1 1071935674 FQQYPAMORWBEAY-ZYHUDNBSSA-N 318.333 -0.609 30 20 DBED C[C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@@H]1NC(=O)C#CC1CC1 1072293571 GLUYTIXQWPOIJQ-PWSUYJOCSA-N 305.378 -0.126 30 20 DBED CC(C)C#CC(=O)N[C@H]1CN(C(=O)CCn2cnnn2)C[C@H]1C 1072600164 QXAUXZRCHRJVBG-OLZOCXBDSA-N 318.381 -0.314 30 20 DBED C=CCN1CCC2(C1)CN(C(=O)CN1C(=O)CN(C)C1=O)C2 1073412451 QSIJWHNWSODTQN-UHFFFAOYSA-N 306.366 -0.399 30 20 DBED N#CCN1CCO[C@@H]2CCN(C(=O)c3c[nH]c(C(N)=O)c3)C[C@@H]21 1074404963 KLFXOSKNDKBQPF-QWHCGFSZSA-N 317.349 -0.448 30 20 DBED C[C@H]1C[C@H](NC(=O)C#CC2CC2)CCN1C(=O)CCNC(N)=O 1074982956 ZUILWJMMEHIKRD-WCQYABFASA-N 320.393 -0.046 30 20 DBED C#CCN[C@H]1CCCO[C@H]1C1CCN(C(=O)CC(N)=O)CC1 1075407052 VPMAAMPHKLFGNM-BBRMVZONSA-N 307.394 -0.129 30 20 DBED C=CCCOCC(=O)NCC[C@H](C)NC(=O)[C@H]1CCC(=O)N1 1077062317 SZTXLUWAYDLQJA-NWDGAFQWSA-N 311.382 -0.131 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)[C@]2(C)CCC(=O)N2)C1 1077632819 OARFFBZJRPCSLZ-BREBYQMCSA-N 301.774 -0.431 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2cccc(-n3cncn3)c2)C1 1077649903 JWMLYZZQSGTGJS-ZIAGYGMSSA-N 312.333 -0.434 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)C[C@H]2C(=O)Nc3ccccc32)C1 1078267033 PXVDGYVNFXZXRA-MRVWCRGKSA-N 314.345 -0.203 30 20 DBED C=CCOCC(=O)N[C@@H](C)CCNC(=O)c1ccc(C(N)=O)[nH]1 1078497820 ZDOAZCFTBYBVHA-JTQLQIEISA-N 322.365 -0.059 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(N(CC)C(=O)C2(C(N)=O)CC2)C1 1080399673 XQWHUSKRUXNPQH-LLVKDONJSA-N 321.377 -0.651 30 20 DBED C#CCCN1C[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)[C@H](C)C1 1080547626 MDEQJPUQVSKNHG-DGCLKSJQSA-N 318.377 -0.843 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C(C)(C)F)C1 1081170370 YASTUTBXQMOBTR-WDEREUQCSA-N 302.346 -0.127 30 20 DBED C=CCC(C)(C)C(=O)NC[C@H]1CN(C(=O)CC(N)=O)C[C@H]1O 1081490324 CWIGFLYHANPFNG-WDEREUQCSA-N 311.382 -0.600 30 20 DBED C=CCCCC(=O)NC[C@@H]1CN(C(=O)CNC(C)=O)C[C@@H]1O 1081700426 HUOSIRKQGFOQRQ-OLZOCXBDSA-N 311.382 -0.586 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@@H]1CCc2nccn2C1 1081867582 ZRSRQCFVRQCZEA-JHJVBQTASA-N 303.366 -0.216 30 20 DBED C=CCCN1C[C@@H](NC(=O)Cn2ccc(O)nc2=O)[C@H](OC)C1 1081908680 OSECNIHXIJXVDP-VXGBXAGGSA-N 322.365 -0.660 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cc[n+]([O-])cc1 1082990952 UTVGNJCKHJXGRB-LSDHHAIUSA-N 301.346 -0.132 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2ccc(-c3nc[nH]n3)cc2)C1 1083915298 KYFBCKYFBRPILD-OLZOCXBDSA-N 312.333 -0.230 30 20 DBED CC#CCN1CC[C@@H]2CN(C(=O)[C@H]3CCS(=O)(=O)C3)[C@@H]2C1 1084498246 QEYYTTQAEDOKHS-HZSPNIEDSA-N 310.419 -0.023 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2nnc(O)nc2O)[C@H]1CC 1087642322 IHGIRXHWSMVRTB-VHSXEESVSA-N 305.338 -0.111 30 20 DBED C[C@@H](C[C@H](C)Nc1nccnc1C#N)NC(=O)Cn1ncnn1 1089400731 PHRXSDAEHCSHCJ-UWVGGRQHSA-N 315.341 -0.270 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1O 1090408514 TVPAIADDWYUHCP-JMSVASOKSA-N 317.349 -0.659 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(c2nc(CC)ns2)C[C@H]1O 1090488678 NLWKLCOAHCCPRY-HBNTYKKESA-N 324.406 -0.196 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(c2nccc(C)n2)C[C@H]1O 1090494361 CERJPJPMTRJWAF-CHWSQXEVSA-N 304.350 -0.509 30 20 DBED N#Cc1cccnc1N1C[C@H]2C(NC(=O)CNC(N)=O)[C@@H]2C1 1093209363 BPZZIZOZNFAHON-NXEZZACHSA-N 300.322 -0.828 30 20 DBED N#Cc1cccnc1NCCNC(=O)C[C@@H]1CC(=O)NC1=O 1093716965 APKWNGMAIWASBM-SNVBAGLBSA-N 301.306 -0.466 30 20 DBED CC(=O)N1CCC[C@H]1C(=O)NCCN=c1cc[nH]c(C#N)n1 1093782495 DIQIWMGHQUKZNP-NSHDSACASA-N 302.338 -0.691 30 20 DBED Cc1cc(C#N)nc(NCCNC(=O)CO[C@H]2CCOC2)n1 1093880931 NRSFWBKWLINADF-LBPRGKRZSA-N 305.338 -0.010 30 20 DBED CN1CC[C@@H](C(=O)NCc2cn(C3CN(CC#N)C3)nn2)C1 1094338552 KFRHVHYEJJCYMH-LLVKDONJSA-N 303.370 -0.774 30 20 DBED Cc1nccc(C(=O)N[C@@H]2CC(=O)N(C3CN(CC#N)C3)C2)n1 1094817636 OKFKSYLDMRJEGW-LLVKDONJSA-N 314.349 -0.677 30 20 DBED CN(CC(=O)NCCCN=c1cc[nH]c(C#N)n1)C(=O)C1CC1 1094844368 LKCZWGYUBHNDEJ-UHFFFAOYSA-N 316.365 -0.443 30 20 DBED N#Cc1cccnc1N1CCC(NC(=O)CNC(N)=O)CC1 1095388348 DJBQPSBUDAHSNB-UHFFFAOYSA-N 302.338 -0.293 30 20 DBED CCN(CCCNC(=O)CNC(N)=O)c1ccc(C#N)cn1 1095833862 DPZXVBLDQQDFPG-UHFFFAOYSA-N 304.354 -0.046 30 20 DBED N#Cc1nccnc1N1CC[C@H](NC(=O)CNC(=O)C2CC2)C1 1096320584 FVKTXZUHBOAAFE-NSHDSACASA-N 314.349 -0.431 30 20 DBED CC(=O)NCC(=O)NC[C@@H]1CCCN(c2cnc(C#N)cn2)C1 1097266745 AKCOXIXABZLQFV-LBPRGKRZSA-N 316.365 -0.183 30 20 DBED C#CCN(CCO)C1CCN(C(=O)CO[C@@H]2CCOC2)CC1 1098368375 DBWIRHZBBHJGHO-OAHLLOKOSA-N 310.394 -0.290 30 20 DBED C[C@H](CNC(=O)c1ccnc2[nH]nnc12)N=c1cc[nH]c(C#N)n1 1098409680 SWKPFQMOVAMXKR-MRVPVSSYSA-N 323.320 -0.333 30 20 DBED C=CCCN1C[C@@H]2CCC[C@]2(NC(=O)CN2CCNC(=O)C2)C1 1098974352 QHIDRXYRYMEBRP-YOEHRIQHSA-N 320.437 -0.035 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(Cc2nncs2)C[C@@H]1O 1099737788 DNRRWALEMSRQQU-QWRGUYRKSA-N 312.395 -0.208 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)/C=C/C(C)(C)C)[C@H](O)C1 1099749158 GXWICNCTQHMFHQ-DWOOFBTHSA-N 321.421 -0.111 30 20 DBED CC(C)C#CC(=O)N[C@H]1CCN(CCNC(=O)C2CC2)C[C@H]1O 1099821401 UMLLJTHIKIILJS-LSDHHAIUSA-N 321.421 -0.277 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)C2CC3(CC3)C2)[C@@H](O)C1 1099998494 IANDIEOTYVRMLA-KBPBESRZSA-N 319.405 -0.523 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)CCCS(C)(=O)=O)[C@H](O)C1 1100032492 WJNGDOAAIARHSP-CHWSQXEVSA-N 318.439 -0.061 30 20 DBED COCC(=O)N(C)CC(=O)NCCN(C)c1cnc(C#N)cn1 1100375155 VBMWHFRAIQJJJX-UHFFFAOYSA-N 320.353 -0.995 30 20 DBED CC(=O)NCC(=O)NC[C@@H]1CCN(c2cnc(C#N)cn2)C1 1100925925 JEGRGQLBZMHZRA-NSHDSACASA-N 302.338 -0.573 30 20 DBED CN(CCNc1ccc(C#N)nn1)C(=O)CN1CCOCC1 1101577521 SAWYBYIGORKXQK-UHFFFAOYSA-N 304.354 -0.449 30 20 DBED CC(=O)NCC(=O)NCC[C@H]1CCN(c2ccc(C#N)nn2)C1 1102268579 MJABFLOBSIAILY-LBPRGKRZSA-N 316.365 -0.183 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1CNC(=O)CN1C(=O)NC(C)(C)C1=O 1102548091 FQFWFPOYBAZUST-GHMZBOCLSA-N 321.381 -0.476 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H](CC)N=c1cc[nH]c(C#N)n1 1103039904 XTUOSBVJPLMCQR-NSHDSACASA-N 314.349 -0.784 30 20 DBED C=CCCNCc1cn(C2CN(C(=O)[C@H](C)NC(C)=O)C2)nn1 1105146376 CFXFXSPKGIUNKF-NSHDSACASA-N 320.397 -0.148 30 20 DBED N#Cc1cc(C(=O)N2CC(n3cc(CNCCO)nn3)C2)c[nH]1 1105217492 AHTYHFVSDJLCTE-UHFFFAOYSA-N 315.337 -0.743 30 20 DBED CC(C)[C@@H](CNC(=O)[C@H]1CNC(=O)N1)Nc1ccc(C#N)nn1 1105278341 YYCGEOPSCJJAJB-GHMZBOCLSA-N 317.353 -0.418 30 20 DBED CN(CCN(C)c1nccnc1C#N)C(=O)Cn1cncn1 1105403676 PTJLXPGCUISRRK-UHFFFAOYSA-N 300.326 -0.465 30 20 DBED Cc1cc(C(=O)NC[C@@H](O)CNc2nccnc2C#N)nn1C 1105733600 WRGFWIZCXCRHPD-JTQLQIEISA-N 315.337 -0.407 30 20 DBED C=CCOCCCC(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1 1105773602 KDURZCNGEOGQDK-LBPRGKRZSA-N 319.365 -0.358 30 20 DBED C[C@@](O)(CC(=O)NC[C@@H](O)CNc1cncc(C#N)n1)C1CC1 1105827916 ZUTFKAKDWVFMDR-SWLSCSKDSA-N 319.365 -0.212 30 20 DBED N#Cc1cccnc1NC[C@H](O)CNC(=O)CN1CCOCC1 1105829687 WUYTZAFQDYVTFW-CYBMUJFWSA-N 319.365 -0.826 30 20 DBED N#Cc1cc(C(=O)NC[C@@H](O)CN=c2cc[nH]c(C#N)n2)c[nH]1 1105830459 CXMMTZYELJABBI-NSHDSACASA-N 311.305 -0.827 30 20 DBED CCn1cc(C(=O)NC[C@H](O)CNc2ccc(C#N)nn2)nn1 1105954329 UGYSXTZAMWBNFO-SNVBAGLBSA-N 316.325 -0.838 30 20 DBED CN1CCCC[C@H]1C(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1 1106059280 GARMCLIFWYCHEG-RYUDHWBXSA-N 318.381 -0.857 30 20 DBED C[C@@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)CC(=O)N(C)C 1106597081 MSRNECTYHVBHLZ-JTQLQIEISA-N 304.354 -0.445 30 20 DBED CC(=O)N1CC(C(=O)NC/C=C\CNc2nccnc2C#N)C1 1107168915 PTFWXBMWZPVGQY-IHWYPQMZSA-N 314.349 -0.089 30 20 DBED C[C@H](CNc1ncccc1C#N)NC(=O)Cn1c(O)nnc1O 1107875085 VFSIXIZDZZHNDU-MRVPVSSYSA-N 317.309 -0.427 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)CCn2cnccc2=O)C1 1108312704 OHDRAAZWGYIJCQ-MRXNPFEDSA-N 318.377 -0.526 30 20 DBED CC#CCN1CCO[C@@](C)(CNC(=O)c2ccc(=O)n(C)n2)C1 1108382924 QWTMVPUTMFHAKY-INIZCTEOSA-N 318.377 -0.376 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H](C)CNc1ccc2nnnn2n1 1108530055 AXEXTGPQPASAEZ-VHSXEESVSA-N 303.326 -0.526 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H]1CC(=O)N(C2CN(CC#CC)C2)C1 1108545860 HNHVIIVPSIBJOB-KBPBESRZSA-N 317.389 -0.551 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CC(=O)N(C2CN(CCC)C2)C1 1108546290 TVFCHHMOPCMGRI-CHWSQXEVSA-N 307.394 -0.164 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)c1ccc(C(N)=O)[nH]1 1108697838 OFQCISMAAIUOOO-QMMMGPOBSA-N 313.321 -0.572 30 20 DBED C#CCCN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN1CCNC(=O)C1)C2 1108739355 YQTFPXIYZAGDRJ-ZNMIVQPWSA-N 318.421 -0.589 30 20 DBED C[C@H](NC(N)=O)C(=O)N[C@H](CNc1cnc(C#N)cn1)C1CC1 1109843201 VHYWYCKNUTWXFO-GZMMTYOYSA-N 317.353 -0.288 30 20 DBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cnon1 1109867295 XRNSCNSSSDTYDF-SCVCMEIPSA-N 305.338 -0.293 30 20 DBED C#CCN(C(=O)C(N)=O)C1CCN(c2ccc(C#N)nc2)CC1 1110628721 NVMLFVLNFJNDAX-UHFFFAOYSA-N 311.345 -0.131 30 20 DBED C[C@@]1(NC(=O)Cn2cncn2)CCN(c2ccnc(C#N)n2)C1 1110760039 AIKJHSRYXMFQGS-CQSZACIVSA-N 312.337 -0.275 30 20 DBED C=CCOCC(=O)N(C)[C@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1111175873 YRSJDLLAWOOQLF-STQMWFEESA-N 317.349 -0.441 30 20 DBED COC[C@H](C)C(=O)N(CCO)CCN=c1cc[nH]cc1C#N 1111438057 HRELBPNXCBQABE-LBPRGKRZSA-N 306.366 -0.110 30 20 DBED COC[C@@H](OC)C(=O)N(CCO)CCNc1cnc(C#N)cn1 1111556116 SMTCYIBRAVJABV-GFCCVEGCSA-N 323.353 -0.758 30 20 DBED Cc1nsc(N2C[C@H](O)[C@H](CNC(=O)CC(N)=O)C2)c1C#N 1112724833 FKLIMCAZOGFTTF-SCZZXKLOSA-N 323.378 -0.888 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3ccc(F)cn3)[C@H]2C1 1114157662 JMNISZHRHUENKH-JYAVWHMHSA-N 316.336 -0.370 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)CC(=O)NCC)[C@H]2C1 1114170110 MNPPDXDZDZQTRE-UUIJZJDISA-N 322.409 -0.750 30 20 DBED N#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)Cc3cncs3)[C@H]2C1 1114432528 CBHZTFNFVAJKCG-YABSGUDNSA-N 319.390 -0.628 30 20 DBED CC#CCCCC(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1114710439 CXGPRRAKXNVMJH-VIKVFOODSA-N 302.378 -0.134 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)c3oncc3C)[C@@H]2C1 1115063181 IZQKUGCJJNCTHP-GHMZBOCLSA-N 304.350 -0.055 30 20 DBED C#CCCN1CCC(NC(=O)Cn2cc([C@H](C)O)nn2)CC1 1116286508 UTEXKYARTIRHAH-LBPRGKRZSA-N 305.382 -0.065 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N1CCC(C(N)=O)CC1 1116540472 LFRARLAKBYHAFO-UHFFFAOYSA-N 303.384 -0.506 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)NC[C@@H]2CCN(C3CC3)C2)CCO1 1117046094 LBSAGERMYFXGOZ-AAEUAGOBSA-N 306.366 -0.662 30 20 DBED C=C(C)Cn1nnnc1N1CCN(S(=O)(=O)CC)CC1 1120006474 JZOYLLQAEUTWBS-UHFFFAOYSA-N 300.388 -0.279 30 20 DBED C=CCn1cc(Cn2nnnc2N(C)CC2(C)COC2)nn1 1120215941 PRGNRFFKLYTSSE-UHFFFAOYSA-N 304.358 -0.028 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)[C@@H]2CCNC(=O)C2)nc1 1121312026 YBJLPVNVMWZKRY-NEPJUHHUSA-N 317.349 -0.632 30 20 DBED CO[C@@H](C(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1)C1CC1 1121504850 IREPYUKTLLRPAP-ZWNOBZJWSA-N 305.338 -0.916 30 20 DBED C=CCO[C@H](C)C(=O)NC[C@@H](CO)Nc1nccnc1C#N 1121749592 PYEXMRKDTNNUEM-MNOVXSKESA-N 305.338 -0.172 30 20 DBED Cc1cncn1CC(=O)NC[C@H](CO)Nc1ccc(C#N)nn1 1122239357 NRIPUUPUARGERS-GFCCVEGCSA-N 315.337 -0.558 30 20 DBED N#Cc1cnc(N[C@H](CO)CNC(=O)[C@@H]2CCNC2=O)c(F)c1 1122355566 MIDREWXHACOKDJ-VHSXEESVSA-N 321.312 -0.883 30 20 DBED CCO[C@H](CC)C(=O)N(C)C[C@H](O)CN=c1cc[nH]c(C#N)n1 1124136375 YQCWGAUPBLNWFI-VXGBXAGGSA-N 321.381 -0.184 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)c1cscn1 1124196054 GATKEAHAMVHRJK-VIFPVBQESA-N 318.362 -0.228 30 20 DBED C#CCO[C@H](C)C(=O)NCCNCCCS(=O)(=O)N(C)C 1127051197 CWYGCIHXVOVOCX-GFCCVEGCSA-N 319.427 -0.988 30 20 DBED N#CCN1CCn2ncc(CNC(=O)CNC(=O)C3CC3)c2C1 1128206996 FVCWFTNVGIMACV-UHFFFAOYSA-N 316.365 -0.635 30 20 DBED CCCC(=O)N1C[C@H](n2ccnn2)[C@H](NCC(=O)NCC#N)C1 1129521402 FHVFCMDBIQXAPW-NEPJUHHUSA-N 319.369 -0.941 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@@]1(C)CCNC(=O)C1 1130208599 PFLIHZSQWSEARC-ABAIWWIYSA-N 310.398 -0.701 30 20 DBED C=CCCOCC(=O)N1C[C@@H](NCCO)[C@H](c2cncn2C)C1 1131136650 XRLIISGKCRCQEC-ZIAGYGMSSA-N 322.409 -0.111 30 20 DBED C=CCN1C[C@H]2C[C@H]3CN(C(=O)[C@H](C)NC(C)=O)C[C@@]3(C1)O2 1131177868 NAQFAQJXJBZLPH-YYWXWVFPSA-N 307.394 -0.001 30 20 DBED CC(C)C(=O)N1C[C@H]2C[C@@H]3CN(CC(=O)NCC#N)C[C@]2(C1)O3 1131181328 SMPBOCQCRSJAJN-XJKCOSOUSA-N 320.393 -0.416 30 20 DBED C#CCCCC(=O)N1C[C@@H](C)O[C@@]2(CCN(CC(N)=O)C2)C1 1131658484 UIKHJXOANKQPHJ-CZUORRHYSA-N 307.394 -0.033 30 20 DBED C#CCCCC(=O)N[C@H]1CC[C@@H](C)N(CC(=O)NC(N)=O)C1 1131996215 RWZWDTDYBKUMQZ-NEPJUHHUSA-N 308.382 -0.046 30 20 DBED CCOCC(=O)N1CC[C@H](C)[C@H](CNCC(=O)NCC#N)C1 1132610826 SETLEURBLAQTNV-QWHCGFSZSA-N 310.398 -0.263 30 20 DBED C#CCNC(=O)CNCCNC(=O)C1(c2cccnc2)CC1 1132746611 SMFLXGKANHJYDC-UHFFFAOYSA-N 300.362 -0.432 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)C1(c2cccnc2)CC1 1132750702 BGKXIMNWBWBALP-ZDUSSCGKSA-N 314.389 -0.043 30 20 DBED C#CCNC[C@@H]1CN(C(=O)c2cnc(O)n(C)c2=O)CC[C@@H]1C 1133026667 OCWUXJRFUAWKNE-NWDGAFQWSA-N 318.377 -0.193 30 20 DBED COCCOCC(=O)N[C@H](C)C[C@@H](C)NCC(=O)NCC#N 1133926313 GMWGUGPHKBYNOL-VXGBXAGGSA-N 314.386 -0.838 30 20 DBED C=CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)c1nnn(C)c1C 1133995189 XPACEKOVQHSDRX-WDEREUQCSA-N 322.413 -0.088 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)Cc1ccnn1C 1134224125 PPCIBGCFMLTRGS-QWHCGFSZSA-N 319.409 -0.415 30 20 DBED C#CCOCCC(=O)N[C@@H](C)C[C@@H](C)NCc1nc(=O)n(C)[nH]1 1134376857 UFHCIZOYXOCSFB-NEPJUHHUSA-N 323.397 -0.479 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NCCNCc1ncnn1C 1134816299 BQFMNVIQUOBBSK-LBPRGKRZSA-N 308.386 -0.508 30 20 DBED N#CCNC(=O)CN1CCC2(C1)CN(C(=O)Cn1ccnc1)C2 1148905668 IOAVCJLMHDFNIV-UHFFFAOYSA-N 316.365 -0.943 30 20 DBED C=CCN1CCCO[C@H](CNC(=O)CN(C)C(=O)COC)C1 1149804574 RGYYIEWTWXWSTB-CYBMUJFWSA-N 313.398 -0.516 30 20 DBED COCCC1(NC(=O)c2cnnn2C)CCN(CC#N)CC1 1151095950 QGVOUXOVKVBOLK-UHFFFAOYSA-N 306.370 -0.060 30 20 DBED C=CCNC(=O)CNCCNC(=O)Cc1ccc(C(N)=O)cc1 1152962789 DKATZGHWIPZNHZ-UHFFFAOYSA-N 318.377 -0.664 30 20 DBED C#CCNC(=O)CC(=O)NCCCNC[C@@H]1C[C@]12CCOC2 1156853080 XRXXCZQENNWPOI-BBRMVZONSA-N 307.394 -0.352 30 20 DBED CC#CCN(CC)[C@H](C)CNC(=O)c1cn(CC(N)=O)nn1 1157158939 PXQYNHIBCHOSJN-LLVKDONJSA-N 306.370 -0.773 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@@H]1CCCc2c[nH]nc21 1158095282 ZLSHASKYUSGDKE-CYBMUJFWSA-N 317.393 -0.325 30 20 DBED N#Cc1ccc(F)cc1CNCCCNC(=O)Cn1ncnn1 1158163712 XGWFQCHYGUGZFH-UHFFFAOYSA-N 317.328 -0.020 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NCCCNCc1cnnn1C 1167685543 WDJYUTBCJLDZJX-AWEZNQCLSA-N 322.413 -0.118 30 20 DBED N#CCNCC1(CCNC(=O)c2nccnc2C(N)=O)CC1 1168044764 YZIATAUKVZCREU-UHFFFAOYSA-N 302.338 -0.411 30 20 DBED COCC#CCNCCCNC(=O)CCCS(C)(=O)=O 1168204787 ADLPTLMUADOMET-UHFFFAOYSA-N 304.412 -0.443 30 20 DBED C[C@H](CCCCNCC(=O)NCC#N)NC(=O)c1cnon1 1175795709 ZTYBQQGYTCJEFH-SNVBAGLBSA-N 308.342 -0.412 30 20 DBED COCC#CCN1CCO[C@H]2CCN(C(=O)c3cc[nH]n3)C[C@H]21 1176918568 XFJHZOQONWUYBZ-CABCVRRESA-N 318.377 -0.025 30 20 DBED C=C(C)CNCCCNC(=O)c1cn(CC(=O)N(C)C)nn1 1176971882 KJBJPXVADRDTGB-UHFFFAOYSA-N 308.386 -0.348 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)c2cc[n+]([O-])cc2)[C@H]1C 1178059572 YLNKFISEVZFQJZ-JSGCOSHPSA-N 318.377 -0.185 30 20 DBED CCc1nnsc1C(=O)N1CC[C@@H](NCC(=O)NCC#N)C1 1184033133 OWKSGULPENHCAU-SECBINFHSA-N 322.394 -0.456 30 20 DBED COCC(=O)N(C)CC(=O)N1CC[C@@H](CNCC#N)[C@H](C)C1 1184534041 ISAOLTVSMVPJSY-OLZOCXBDSA-N 310.398 -0.311 30 20 DBED C#CCCN[C@@H]1CCN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 1186404633 NVAVLCYWNPVPCP-LLVKDONJSA-N 314.349 -0.715 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)c2cccn(C)c2=O)C1 1187175896 CTVSUXPNHYOKNE-CYBMUJFWSA-N 303.362 -0.161 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2c(C)nn(C)c2F)C1 1187476085 TWYPVZIPMTWGIF-LLVKDONJSA-N 321.356 -0.579 30 20 DBED COCC#CCN(C)[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(C)C2)C1 1190453841 NISURTSMFKNVFV-UONOGXRCSA-N 307.394 -0.353 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 1190901383 XYYJGQHDVQBYGC-UONOGXRCSA-N 308.426 -0.391 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)[C@@]2(C)CNC(=O)C2)C1 1191490899 QPORDPFKFIWBKH-BLLLJJGKSA-N 322.409 -0.653 30 20 DBED C#CCCN(C)[C@@H]1CCN(C(=O)[C@H](C)NS(C)(=O)=O)C1 1192551832 UFBRTXCXHKFMLR-NWDGAFQWSA-N 301.412 -0.520 30 20 DBED CCN1CCO[C@H](C(=O)N2CC[C@@H](N(C)CC#CCOC)C2)C1 1194154031 JFEMBEYXGLUYSD-CVEARBPZSA-N 323.437 -0.110 30 20 DBED C=CCCCC(=O)N[C@@H]1CN([C@@H](C)c2nnnn2C)C[C@H]1O 1195733087 YOKJVXWRGFTZEF-QJPTWQEYSA-N 308.386 -0.211 30 20 DBED CCn1ccc(C(=O)N[C@@H]2CN(CC#CCOC)C[C@H]2O)n1 1196630766 CNHDPKLBFNJUHL-ZIAGYGMSSA-N 306.366 -0.672 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCCN(CC(=O)NC)CC1 1197346717 VQCUGLPDJTWXSH-CQSZACIVSA-N 324.425 -0.262 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)CCNC(=O)NC)CCCO1 1200428509 KUSOIBOTWVZNIZ-CYBMUJFWSA-N 310.398 -0.464 30 20 DBED C=CCNC[C@@H]1CN(C(=O)c2ccc(=O)n(C)n2)CCCO1 1201998756 MUJBKHXFBBPESI-GFCCVEGCSA-N 306.366 -0.213 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1205224691 WNCIYJJJEYGXPJ-CHWSQXEVSA-N 322.365 -0.771 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)c2cncnc2)[C@H](C)C1 1206895837 MJBPMDWNMOUQHE-MBNYWOFBSA-N 315.377 -0.335 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1C 1206911382 NHUNMHVKIPDYQH-CHWSQXEVSA-N 315.439 -0.224 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN([C@@H](C)C(=O)NC(N)=O)C[C@H]1C 1206957905 QZHRHMYTUMOSSN-GRYCIOLGSA-N 324.381 -0.954 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCCN(C(=O)c2cnon2)C1 1210236945 QVRKUMNPIBOQAG-MNOVXSKESA-N 305.338 -0.598 30 20 DBED C=CCOCCN1C[C@@H](NC(=O)Cc2cc[nH]n2)[C@H](OC)C1 1212066878 JIVKRKJKGQLQQL-ZIAGYGMSSA-N 308.382 -0.030 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1C 1215431732 MDIQTOQSWOOOKE-GRYCIOLGSA-N 322.409 -0.621 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CN(Cc2nc(C3CC3)no2)C[C@@H]1O 1219379033 LTIZPBIUPBOMMA-GDPRMGEGSA-N 305.338 -0.232 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@H](CC)SC)C1 1219473796 GCVKSVHIFYYYFM-WOPDTQHZSA-N 313.423 -0.961 30 20 DBED C#CCCCC(=O)N[C@@H]1CN([C@H](C)C(=O)NC2CC2)C[C@@H]1O 1219541134 DCEILSULPTZIGM-BNOWGMLFSA-N 307.394 -0.382 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)CCc2ccn(C)n2)C1 1219724682 XFSPSBCUFPEGAP-CABCVRRESA-N 320.393 -0.836 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2conc2CC)C1 1220295598 UIBWBIGVTPHIKS-OLZOCXBDSA-N 322.365 -0.686 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)c2c[nH]c(C)cc2=O)C1 1220673931 CIOTZLFUEPCVLI-HIFRSBDPSA-N 321.377 -0.339 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)CS(=O)(=O)C(C)(C)C)C1 1220759728 KZVWYSDQCVNVSU-NEPJUHHUSA-N 318.439 -0.063 30 20 DBED C=CCN1CC[C@@H]2CN(C(=O)CNS(=O)(=O)N(C)C)[C@@H]2C1 1221841992 RIVFUCUOOXMTNX-VXGBXAGGSA-N 316.427 -0.899 30 20 DBED C#CCO[C@@H](C)C(=O)NC1CCN([C@@H](C)C(=O)NC(N)=O)CC1 1227307527 CVRPDQRPHDAUTP-QWRGUYRKSA-N 324.381 -0.811 30 20 DBED CN(Cc1cn(C)nn1)C(=O)C(=O)N1CCC(CC#N)CC1 1261613395 SWCIPMLTQZXNOB-UHFFFAOYSA-N 304.354 -0.074 30 20 DBED CNC(=O)NCCC(=O)N[C@@H]1CCCN(CC#CCOC)C1 1316943807 IMHRDXLRBPTIEI-CYBMUJFWSA-N 310.398 -0.464 30 20 DBED C#C[C@H](C)N(C)C(=O)C(=O)Nc1ccc(OCC(N)=O)cc1 1322119987 AQBCDDYOJYHIJP-JTQLQIEISA-N 303.318 -0.031 30 20 DBED C#CCSCCNC(=O)C(=O)N1CC[S@](=O)[C@H](C)[C@H]1C 1323045909 XHRQPKREVLOANP-HZNYWTHISA-N 316.448 -0.163 30 20 DBED N#Cc1ccc(NC(=O)C(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)cc1 1323859512 XGDLFSFMKHIHAT-RYUDHWBXSA-N 316.317 -0.354 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N[C@@H]1C[C@H](OCC)[C@@H]1OC 1324457869 VOTQRQOIBZIPGW-HZSPNIEDSA-N 306.362 -0.220 30 20 DBED C=C(C)COCCNC(=O)C(=O)NCC(=O)N1CCCCC1 1326405367 SWKAPLSTNHASCQ-UHFFFAOYSA-N 311.382 -0.176 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@H](C)COCCOC)[C@@H]1CCCO1 1326965762 NXVLXUJQBRFNLH-AGIUHOORSA-N 312.366 -0.549 30 20 DBED O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)NC1CCCC1 1327273163 UTGSMLKQSBYODI-OUKQBFOZSA-N 320.349 -0.312 30 20 DBED C=C[C@H](CO)NC(=O)C(=O)Nc1cc([C@@H]2CCCOC2)nn1C 1327473627 SXJXIDQIJUFVFP-GHMZBOCLSA-N 322.365 -0.084 30 20 DBED COC(=O)[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H](C)C#N)C[C@H](C)O1 1329713365 OQGZCQXBWNHKQE-DCAQKATOSA-N 311.338 -0.607 30 20 DBED C=CCCCCNC(=O)C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 1329851020 GULVMLAPTXBPGT-LLVKDONJSA-N 317.411 -0.391 30 20 DBED CN(C)C[C@@](C)(O)CNC(=O)C(=O)Nc1cccc(C#N)n1 1332158189 SUONFQPJBYLMSR-AWEZNQCLSA-N 305.338 -0.679 30 20 DBED C=C1CN(C(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)C1 1332211075 UNUXWDPMLITAIZ-SNVBAGLBSA-N 311.363 -0.450 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)NCC2=CCNCC2)CCN1C1CC1 1332305113 ODUZPLBJEOVRCA-CQSZACIVSA-N 317.393 -0.779 30 20 DBED C#CCN1CCN(C(=O)c2cn(C)c3c(cnn3C)c2=O)CC1 1332369686 ATXCDWNSCAFGGC-UHFFFAOYSA-N 313.361 -0.337 30 20 DBED C#CCCCC(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 1339039739 HSIVIONHFFGWCX-NSHDSACASA-N 300.380 -0.401 30 20 DBED C#CCOCCNC(=O)C(=O)N[C@H](C)CN1CCC[C@@H](C)C1 1342425432 FVSDBJBXZXLPSF-ZIAGYGMSSA-N 309.410 -0.011 30 20 DBED C#C[C@H](C)OC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 1343308435 FTBKTHRRJOUWPB-VHSXEESVSA-N 312.347 -0.283 30 20 DBED N#CC1(CNC(=O)C(=O)Nc2ccc(OCC(N)=O)cc2)CC1 1344453336 QCBDZQZJCNNAMY-UHFFFAOYSA-N 316.317 -0.091 30 20 DBED C[C@H]1CN(C(=O)NCC(=O)NCC#N)CC2(CCOCC2)O1 1346658833 OZGOKBLWVZTYOL-NSHDSACASA-N 310.354 -0.394 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CCCO[C@@H](C)C2)nn1 1349046760 XSOLGJRNJJDWCZ-NSHDSACASA-N 307.354 -0.282 30 20 DBED C#CCNC(=O)C1CCN(C(=O)C(=O)NC[C@H](C)OC)CC1 1350260588 RNLPIHHBXZNOLA-NSHDSACASA-N 309.366 -0.875 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N[C@H]1CC[C@@H](C(=O)OC)C1 1354869323 XWHYMYKXKKPOFB-OLZOCXBDSA-N 304.346 -0.071 30 20 DBED CC[C@](COC)(NC(=O)[C@@H](C)n1cnc(C#N)n1)C(=O)OC 1361851660 IPBDRJKGYKSGRA-NOZJJQNGSA-N 309.326 -0.205 30 20 DBED N#CC1(CNC(=O)Cn2ncn3nccc3c2=O)CCOCC1 1363687342 BQNXJEKPHHHOMX-UHFFFAOYSA-N 316.321 -0.672 30 20 DBED Cc1c(C#N)c(=O)n(C[C@H]2CCS(=O)(=O)C2)c(=O)n1C1CC1 1364309341 LYNDOOKAHDYNFT-SNVBAGLBSA-N 323.374 -0.040 30 20 DBED CCC(=O)NCC(=O)N(C)C[C@H](C)NC(=O)c1c[nH]c(C#N)c1 1370465962 XPFSIPFXEKRYNM-JTQLQIEISA-N 319.365 -0.011 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CCN(C(=O)CNC(=O)N2CCCC2)C1 1385612982 MKMFGVVEYYWKSU-VXGBXAGGSA-N 321.381 -0.331 30 20 DBED Cn1ccc(C(=O)NC[C@H](O)CNC(=O)c2cc(C#N)c[nH]2)c1 1389087501 RTIYMUVBDGFFKK-LBPRGKRZSA-N 315.333 -0.254 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(CC(=O)NCc2ccco2)C1 1393302476 JNBYEEGGMMFCGI-LLVKDONJSA-N 320.349 -0.782 30 20 DBED CC[C@@H](CNC(=O)CS(=O)(=O)CC)NC(=O)[C@H](C)C#N 1432711942 ITWJUTUZXSBFMW-ZJUUUORDSA-N 303.384 -0.408 30 20 DBED COC(=O)Cn1cc(S(=O)(=O)N2CCC[C@@H](C#N)C2)cn1 1464485404 NLLGJKWNULFSPK-JTQLQIEISA-N 312.351 -0.020 30 20 DBED C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)N(C)C(=O)Cn1ncnn1 1486835893 VJKDEULJBZCMRW-VIFPVBQESA-N 316.325 -0.850 30 20 DBED COCCN(CCNC(=O)c1ncn(C)n1)C(=O)[C@H](C)C#N 1488535973 XZONJQFEFFSAJT-SNVBAGLBSA-N 308.342 -0.820 30 20 DBED C=C(Cl)CNCC1(O)CCN(C(=O)CNC(C)=O)CC1 1502850207 OEIAFLDMODNMFP-UHFFFAOYSA-N 303.790 -0.182 30 20 DBED C#CCN(C(=O)CNC(=O)O)C1CCN([C@@H](C)C(N)=O)CC1 1573301778 JXICGRFRHAOOFB-JTQLQIEISA-N 310.354 -0.946 30 20 DBED CC(C)(C#N)CS(=O)(=O)N[C@H]1CN(C(=O)O)C[C@@H]1CO 1573408169 UXQJDMPGDWNDHX-BDAKNGLRSA-N 305.356 -0.574 30 20 DBED CCCN(CC(=O)N(C)C)c1cnc(C#N)c(-c2nn[nH]n2)n1 1577576041 NIWAHVGVLREWHL-UHFFFAOYSA-N 315.341 -0.167 30 20 DBED CN(CCOCc1ccc(C#N)cc1)C(=O)CNC(=O)CN 1578477507 VIVHGVUDBDGNQX-UHFFFAOYSA-N 304.350 -0.392 30 20 DBED O=C(NCC#CCO)N1C[C@@H]2CC[C@H](C1)N2C1CCNCC1 1580625276 HZDBIGDYRBMTBF-GASCZTMLSA-N 306.410 -0.408 30 20 DBED CC[C@H](C)[C@H](Nc1cnc(C#N)c(-c2nn[nH]n2)n1)C(N)=O 1590867714 PRVMFECBNOJIMW-RCOVLWMOSA-N 301.314 -0.160 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)Nc2cccc(C(=O)O)n2)CCO1 1601060896 MBYZWMWDEQDNNX-MRVPVSSYSA-N 304.262 -0.531 30 20 DBED C#CCN(CC(=O)O)CC(=O)Nc1cccc(C(=O)OC)n1 1602695953 YSOCURKMMOZOSV-UHFFFAOYSA-N 305.290 -0.174 30 20 DBED CO[C@H]1CN2[C@](C)(C1)C(=NNCCC(=O)O)CS2(=O)=O 1604504570 COSUHZZTUOBPJC-LDYMZIIASA-N 305.356 -0.771 30 20 DBED COCCCN(CCO)c1cnc(-c2nn[nH]n2)c(C#N)n1 1605086586 DNYFOLFDIOSVLE-UHFFFAOYSA-N 304.314 -0.636 30 20 DBED N#Cc1nc(N)n(CCCN2CCOC2=O)c1-c1nn[nH]n1 1606389905 UEZULEPDZVTMKC-UHFFFAOYSA-N 303.286 -0.641 30 20 DBED N#CCNC[C@H]1CCCCN1C(=O)CCn1cc[nH]c(=O)c1=O 1713267699 ZWMVCWUGHOOEMM-GFCCVEGCSA-N 319.365 -0.579 30 20 DBED C=CCN[C@@H](C)CCNC(=O)c1nc(C)n(-c2nc[nH]n2)n1 1753011239 TYQPCSNRXFYLGL-VIFPVBQESA-N 304.358 -0.022 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCN(C)[C@H]1CCCN(C)C1=O 1753051490 FHEWIIZAXYDLPC-GJZGRUSLSA-N 320.437 -0.247 30 20 DBED C=CCOCC(=O)NC1CN(Cc2c([N+](=O)[O-])ncn2C)C1 1753373519 YBTUFTNGKFWSBT-UHFFFAOYSA-N 309.326 -0.169 30 20 DBED C=CCC[C@H](C)N1CC[C@@H](NC(=O)C[C@H](NC(C)=O)C(N)=O)C1 1753428969 LHFMPLAOZLPXIA-YUTCNCBUSA-N 324.425 -0.088 30 20 DBED C#CCNC(=O)CN[C@H](CC)CNC(=O)Cc1cnn(C)c1 1753465984 CMPGCUUHOVOWFG-CYBMUJFWSA-N 305.382 -0.804 30 20 DBED C#CCNC(=O)CNC[C@@H](CC(C)C)NC(=O)[C@@H]1CCCN1C 1753733208 NMAOGFHSHIYKMD-CABCVRRESA-N 322.453 -0.050 30 20 DBED C[C@@H]1[C@H](C(=O)N(C)C2CN(CC(=O)NCC#N)C2)CCN1C 1754575824 OZHNYERCTRKUII-DGCLKSJQSA-N 307.398 -0.891 30 20 DBED C#CCNC(=O)[C@H](C)N1CC(N(C)C(=O)c2[nH]c(O)nc2C)C1 1754578727 QWRHZQQCJWLOCA-JTQLQIEISA-N 319.365 -0.682 30 20 DBED C#CCNC(=O)CN1CC(N(C)C(=O)Cc2csc(C)n2)C1 1754586133 DXCFEYRASZNOHB-UHFFFAOYSA-N 320.418 -0.114 30 20 DBED COCC#CCNC[C@@H]1CCCN1C(=O)[C@H]1CCNC(=O)C1 1754607940 NAQWCILLIYHCSQ-KBPBESRZSA-N 307.394 -0.257 30 20 DBED C#CCNC(=O)CN1CC[C@](O)(CNC(=O)C[C@H](C=C)CC)C1 1754753621 AWZWKJYMMGPJKA-PBHICJAKSA-N 321.421 -0.109 30 20 DBED C#CCN1CC2(CC[C@H](CNC(=O)CO[C@H]3CCOC3)O2)C1 1755054686 SPNBGGMDNHGPNN-KGLIPLIRSA-N 308.378 -0.225 30 20 DBED C#CCN[C@@]1(CO)CCCN(C(=O)CCc2ccn(C)n2)C1 1755082817 DEMKXLKYUXFKCZ-INIZCTEOSA-N 304.394 -0.071 30 20 DBED CCCN1C[C@@H](C(=O)N2CCC[C@@](CO)(NCC#N)C2)CC1=O 1755089298 MCWXSZOYMUYOJR-XJKSGUPXSA-N 322.409 -0.288 30 20 DBED C#CCCCCC(=O)NC1(CCO)CN([C@H]2CCN(C)C2=O)C1 1755331506 DKEVORIVVGZWBI-AWEZNQCLSA-N 321.421 -0.036 30 20 DBED C[C@H](OCC1CC1)C(=O)NC[C@H](CO)NC(=O)C#CC1CC1 1756507761 ILVNTWBHYMKTAH-SMDDNHRTSA-N 308.378 -0.192 30 20 DBED C=C1CC(C)(C(=O)NC[C@H](O)CN(C)C(=O)c2cnn(C)n2)C1 1756667991 AUZQNGVPMLYTCA-NSHDSACASA-N 321.381 -0.280 30 20 DBED C=CCO[C@H](C)C(=O)N1C[C@@H](O)[C@H](NC(=O)CCOCC)C1 1756986015 ZXPUOUBGZNOQRO-JHJVBQTASA-N 314.382 -0.308 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CC[C@H](CNC(=O)CCOC)C1 1757331691 HNNQTHUYEUVZON-QWHCGFSZSA-N 323.393 -0.437 30 20 DBED C[C@H]1CCCN(C(=O)CCNC(=O)Cn2cnc(C#N)n2)C1 1772478320 NJGDXURXBDNQGH-NSHDSACASA-N 304.354 -0.085 30 20 DBED C#CCCCC(=O)N1CCOC[C@]2(CN(C(=O)C#C)CCO2)C1 1839810826 ULGBWGXVNUDGFV-KRWDZBQOSA-N 318.373 -0.121 30 20 DBED CCC1(C(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)COC1 1846196677 BYLGJWBHMXSMFF-UHFFFAOYSA-N 320.345 -0.296 30 20 DBED C=CCn1nnnc1SCC(=O)NCC(=O)N1CCCC1 52910455 CTMFWQJFBDPLFR-UHFFFAOYSA-N 310.383 -0.310 30 20 DBED N#CCCCCN1CCN(C(=O)C(=O)N2CCOCC2)CC1 73123758 GBOURADDYCJBED-UHFFFAOYSA-N 308.382 -0.317 30 20 DBED C=CCN1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 121501555 VXBKJPBSBIOGTC-LLVKDONJSA-N 308.425 -0.693 30 20 DBED C=CCN1CCC(NC(=O)NCCS(=O)(=O)NC)CC1 187554156 GOSVPQKFEHAIQA-UHFFFAOYSA-N 304.416 -0.515 30 20 DBED C=CCN(CCOC)CC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O 191080396 FILJBTPZCOBWOR-UHFFFAOYSA-N 322.365 -0.229 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCC[C@@H]2CN)C1=O 262648311 WEYQNHZOCOXMJL-ZJUUUORDSA-N 308.338 -0.793 30 20 DBED COC[C@](C)(C#N)NC(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 269508700 CGFLHIURVQEPDZ-UQMYLEDRSA-N 317.345 -0.162 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N[C@H]1CC(=O)N(C2CC2)C1 272788534 ARYWZBLTLXTERX-JTQLQIEISA-N 315.395 -0.350 30 20 DBED C=CCN1CC[C@@H](N2C(=O)N[C@](C)(c3cnn(C)c3)C2=O)C1=O 281004519 NXRDYEDIMVOENC-IAQYHMDHSA-N 317.349 -0.026 30 20 DBED C[C@H](CN1CCN(C)CC1)NS(=O)(=O)c1cncc(C#N)c1 289985535 XWURNJVZJDOKRC-GFCCVEGCSA-N 323.422 -0.133 30 20 DBED CN(C)S(=O)(=O)CCNC(=O)C#Cc1ccc2c(c1)OCO2 291598473 GAHJHKUBWWFWTQ-UHFFFAOYSA-N 324.358 -0.226 30 20 DBED CN(C)S(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 298398407 GXIDDVVDARLEHJ-UHFFFAOYSA-N 303.365 -0.261 30 20 DBED C=CCC[C@H](NC(=O)NCCNS(=O)(=O)CC)C(=O)O 316126993 RQZBFVHBYSDRKL-VIFPVBQESA-N 307.372 -0.356 30 20 DBED C[C@@H]1CS(=O)(=O)CCN1/C(O)=N/CCn1ccccc1=O 328845140 XCYMDKFIWNQOID-LLVKDONJSA-N 313.379 -0.119 30 20 DBED CN(C)C(=O)CN1CCC(/N=C(/O)[C@H]2COCCN2C)CC1 328920046 AXPDEEGNQWRODN-CYBMUJFWSA-N 312.414 -0.174 30 20 DBED CO[C@@H]1C[C@@H](CO)N(/C(O)=N/[C@@H]2CS(=O)(=O)C[C@@H]2C)C1 329654887 LVQDDCNSSOXBBR-UKKRHICBSA-N 306.384 -0.585 30 20 DBED N#CCCCC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 330912469 ZRBDZDTXVDBQAT-UHFFFAOYSA-N 306.366 -0.027 30 20 DBED C[C@H]1OCC[C@@]12CN(C(=O)NCCn1cnc(C#N)n1)CCO2 332820235 IZEFECGXIXUFNC-BXUZGUMPSA-N 320.353 -0.261 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1CC[C@H](O)[C@H](C)C1 337192202 TWTNCYIYJVPKRU-NEPJUHHUSA-N 305.400 -0.204 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)COc2cccnc2)CC1 339036245 UEVHBSULGIAKSU-UHFFFAOYSA-N 318.377 -0.093 30 20 DBED C[C@H]1C[C@H](O)CN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 355942113 CAYNKDZCZCPJEV-JQWIXIFHSA-N 323.374 -0.182 30 20 DBED N#Cc1ccnc(N2CCN(C(=O)[C@H]3C[C@H](O)CN3)CC2)c1 357901337 CSZHTOFOSWLTBX-QWHCGFSZSA-N 301.350 -0.675 30 20 DBED COC(=O)C1(CS(=O)(=O)N2CCOC[C@@H]2C#N)CCC1 408238969 ZMTVSSQCPFACFB-JTQLQIEISA-N 302.352 -0.116 30 20 DBED C=CCN(CCOC)C(=O)Nc1ncn(CC(=O)OCC)n1 425699820 AJGUHKPBUBGBRT-UHFFFAOYSA-N 311.342 0.508 30 20 DBED C[C@H](C(=O)N(C)CCC#N)N(C)C[C@@H](O)CN1CCOCC1 435000675 OZQVFHOTSJIOKK-ZIAGYGMSSA-N 312.414 -0.628 30 20 DBED C=C[C@@H]1OCC[C@H]1NC(=O)NCCCNS(=O)(=O)CC 454436850 DVKAIISIISDDFI-MNOVXSKESA-N 305.400 -0.042 30 20 DBED C#CCNC(=O)CN1CCN(Cc2nnnn2CCCC)CC1 491125274 CNAIXZWWJXZZSY-UHFFFAOYSA-N 319.413 -0.660 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CCO[C@@H]2C(C)C)CC1 491179288 DTXQEBFPWMSKKY-GOEBONIOSA-N 321.421 -0.059 30 20 DBED C#CCN1CCN(C(=O)CN2C(=O)O[C@](C)(CC)C2=O)CC1 491626946 LZOZRWDZDGNPPQ-OAHLLOKOSA-N 307.350 -0.089 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)CSC(F)F)CC1 491744442 JBNILERCYASDKB-UHFFFAOYSA-N 305.350 -0.164 30 20 DBED N#Cc1ccc(S(=O)(=O)N[C@H](CC(N)=O)C(=O)O)cc1F 562351289 GXLNLFLDRSOFOZ-SECBINFHSA-N 315.282 -0.696 30 20 DBED N#Cc1ccc(S(=O)(=O)N[C@]2(C(N)=O)CCOC2)c(F)c1 566477633 IMBGNBDDEPVBGV-GFCCVEGCSA-N 313.310 -0.380 30 20 DBED CCc1nncn1CCNS(=O)(=O)N(C)[C@@H](C)CC#N 569690595 KULQKTRRQPTACM-JTQLQIEISA-N 300.388 -0.091 30 20 DBED N#Cc1cncnc1N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 569964243 KRRHDFOXBBAQSN-UHFFFAOYSA-N 319.350 -0.418 30 20 DBED COC(=O)[C@@H]1C[C@H](O)CN(S(=O)(=O)CCCCC#N)C1 592120152 YHAROLLDIFYTCA-MNOVXSKESA-N 304.368 -0.134 30 20 DBED N#Cc1ccnc(N2CCN(C(=O)C3(n4cnnn4)CC3)CC2)c1 596705970 QMOWPVGUPJBQKY-UHFFFAOYSA-N 324.348 -0.222 30 20 DBED Cc1c(C#N)cccc1NC(=O)C(=O)NCCN1CC[C@H](O)C1 600099282 NTTFYLCZJAOTND-ZDUSSCGKSA-N 316.361 -0.012 30 20 DBED C[C@H](C#N)COC(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1 770949311 UPEKEXJHONECHF-RKDXNWHRSA-N 300.340 -0.210 30 20 DBED N#Cc1c(F)cccc1S(=O)(=O)NC(=O)[C@@H]1COCCO1 781596216 YDBIDYDQNHULIG-JTQLQIEISA-N 314.294 -0.082 30 20 DBED C=C[C@@](C)(CC)C(=O)OCC(=O)c1c(N)n(C)c(=O)n(C)c1=O 785757242 IJYZWBXJNINDGZ-HNNXBMFYSA-N 323.349 -0.006 30 20 DBED C=CCC(C)(C)C(=O)OCC(=O)c1c(N)n(C)c(=O)n(C)c1=O 796474845 UNYSCYPBTVPZOU-UHFFFAOYSA-N 323.349 -0.006 30 20 DBED COC[C@@H](C)NC(=O)NC(=O)COC(=O)c1cnccc1C#N 805718652 WHSISIRVYWNMET-SECBINFHSA-N 320.305 -0.029 30 20 DBED C#CCNC(=S)NCc1ccc(OC)c(S(N)(=O)=O)c1 809164650 ZSTIAQAQOJJHPE-UHFFFAOYSA-N 313.404 -0.060 30 20 DBED N#Cc1cc(S(N)(=O)=O)ccc1N1CC[C@@H](CO)[C@@H](O)C1 811838500 LFUUOOVCYCCFKH-ZANVPECISA-N 311.363 -0.615 30 20 DBED C[C@](C#N)(CC(=O)O)C(=O)NC1CCN(S(C)(=O)=O)CC1 819824512 YQQDWOXBVWWJMH-GFCCVEGCSA-N 317.367 -0.469 30 20 DBED Cc1oc(C)c(S(N)(=O)=O)c1C(=O)N[C@H]1CNC[C@H]1C#N 843458891 AXQDEGRKXVMIFN-BDAKNGLRSA-N 312.351 -0.615 30 20 DBED C=C(C)CONC(=O)CCc1nc2c(O)nc(=O)n(C)c2[nH]1 846539961 QLLXYRLRFCVWRB-UHFFFAOYSA-N 307.310 -0.081 30 20 DBED C#CCNC(=O)CCN1CCC(NC(=O)N2CCOCC2)CC1 852190044 TXWFOAJYLHVIEE-UHFFFAOYSA-N 322.409 -0.368 30 20 DBED CCOC(=O)CON=C(C(=O)N[C@H]1C[C@H](OC)C1)c1cc[nH]n1 863670930 UVQYFQSFEYJOJX-MGCOHNPYSA-N 324.337 -0.013 30 20 DBED C#CCNC(=O)C1CCN(C(=O)/C=C\CN2CCOCC2)CC1 865061765 JFQSGOJANVDRLG-ARJAWSKDSA-N 319.405 -0.137 30 20 DBED C#CCN1CCN(C(=O)CN(CCOC)C2CCOCC2)CC1 879708350 SLQTWMXUEINFOP-UHFFFAOYSA-N 323.437 -0.109 30 20 DBED C#CC1(O)CN(S(=O)(=O)c2cccc(S(C)(=O)=O)c2)C1 908229738 TVTQPOSSVSGLPT-UHFFFAOYSA-N 315.372 -0.541 30 20 DBED COC(=O)CNC(=O)COC(=O)CNc1ccc(C#N)cc1 919625397 IBDKANDQXQPVIS-UHFFFAOYSA-N 305.290 -0.197 30 20 DBED COc1cc(C(=O)N[C@H]2CCN(C(=O)[C@H](C)C#N)C2)ncn1 938003332 UQFXGGQNDACYFF-ZJUUUORDSA-N 303.322 -0.024 30 20 DBED Cn1c(C(=O)N[C@H]2CCN(C(=O)C#CC3CC3)C2)cnc1O 938408786 YZRCMSGYWGGPRI-NSHDSACASA-N 302.334 -0.130 30 20 DBED Cn1ncc(C(=O)N[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)n1 941556775 WXDNOCDKNAIYNI-SNVBAGLBSA-N 313.321 -0.341 30 20 DBED C=CCN1CC[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C[C@H]1C 947369687 OPDHMOKSOUQWIN-CHWSQXEVSA-N 320.393 -0.298 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2n[nH]c3c2CCCC3)C1 958207047 QMPGHHMFBMOATE-SMDDNHRTSA-N 302.378 -0.056 30 20 DBED C#CCCN1C[C@H](O)[C@H](CNC(=O)c2n[nH]c3c2CCC3)C1 958210119 HPKPSESROVZWEB-RISCZKNCSA-N 302.378 -0.056 30 20 DBED N#CCN1C[C@@H](O)[C@@H](CNC(=O)c2ccnc3c2CC(=O)N3)C1 958214504 IKBKVVOGGRXGBV-JOYOIKCWSA-N 315.333 -0.878 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](NC(=O)c2nnc(O)nc2O)[C@H](C)C1 958367938 GFPVQIYDDHBWDK-BWZBUEFSSA-N 320.309 -0.981 30 20 DBED Cn1ncnc1CN1C[C@H]2[C@H](NC(=O)c3cc(C#N)c[nH]3)[C@H]2C1 958500667 SHSRHKDDRDEXTJ-YABSGUDNSA-N 311.349 -0.125 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](CNC(=O)c2cc(C(N)=O)c[nH]2)C1 958525599 INESLDHPAXRSPP-YPMHNXCESA-N 306.366 -0.288 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2CN(CCOC)C[C@H]2O)cn1 958602490 HABHTJYVZIVDCD-DZGCQCFKSA-N 303.362 -0.268 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C2CCN(C)CC2)C1 958881153 JHPNQXMFBPTIDV-XBFCOCLRSA-N 322.409 -0.482 30 20 DBED C#CCN1CC[C@@H](C)[C@@H](NC(=O)CN2CCCS2(=O)=O)C1 966525685 NVLMRDXUJKQQME-OLZOCXBDSA-N 313.423 -0.518 30 20 DBED C[C@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1NC(=O)c1cc(C#N)c[nH]1 966681886 KXFFYUZKDPXJNT-KWQFWETISA-N 313.321 -0.105 30 20 DBED C#CCN1CC([C@@H](C)NC(=O)c2coc(S(N)(=O)=O)c2)C1 969992085 KBOSGMCKMJAXGX-SECBINFHSA-N 311.363 -0.390 30 20 DBED C=CCN1CCO[C@@]2(CCN(C(=O)[C@@H]3CCN(C)C3=O)C2)C1 972506920 ROFJPGFAASGEIH-CJNGLKHVSA-N 307.394 -0.046 30 20 DBED CC#CCN1CCO[C@@]2(CCN(C(=O)c3nnn(C)n3)C2)C1 972511996 NIKCQDNCBFUXHW-AWEZNQCLSA-N 304.354 -0.850 30 20 DBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)C(N)=O)C1 973316333 UWISPTWVMQPVEY-BJDJZHNGSA-N 309.366 -0.394 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)C(N)=O)c1 976469715 RZPWEXDKSRQDMP-NXEZZACHSA-N 303.322 -0.471 30 20 DBED CCn1nc(C)c(C(=O)N[C@H]2[C@@H]3CN(C(=O)[C@H](C)C#N)C[C@@H]32)n1 976770003 UQFHLTMKPSGIDG-GOONRYMUSA-N 316.365 -0.047 30 20 DBED CC1(C)CN(CC#N)C[C@@H]1NC(=O)[C@@H]1CCS(=O)(=O)N1 977608140 YNGZLGGVNNUQTK-UWVGGRQHSA-N 300.384 -0.972 30 20 DBED C#CCN[C@@H]1CCC[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)C1 981458492 YXFGKDMMXUMOCW-GHMZBOCLSA-N 314.349 -0.319 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H]2CCN(C(=O)c3cnn[nH]3)C2)c1 982962552 DMILILHFWQSINU-SECBINFHSA-N 313.321 -0.103 30 20 DBED C=CCN[C@@H]1CCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)[C@@H]1C 987104451 PUKGDFYKZUTDPL-NXEZZACHSA-N 308.338 -0.828 30 20 DBED CN1CCO[C@@H](C(=O)N2CC(NC(=O)c3c[nH]c(C#N)c3)C2)C1 990921634 XRCDVPUVBUFZJP-CYBMUJFWSA-N 317.349 -0.842 30 20 DBED C#CCN1CC[C@]2(NC(=O)[C@@H]3CCS(=O)(=O)N3)CCC[C@@H]12 992489910 DFXZHRQPGRFHPC-OUCADQQQSA-N 311.407 -0.576 30 20 DBED C=C(C)CCN1CCC(NC(=O)Cn2cnc(C(N)=O)n2)CC1 1002863856 ZLEPRNSNBVUIRQ-UHFFFAOYSA-N 320.397 -0.076 30 20 DBED C=CCN1CCC(N(C)C(=O)CN2CC(=O)N(C)C2=O)CC1 1006285358 XPVGVMYFTQXKRS-UHFFFAOYSA-N 308.382 -0.011 30 20 DBED CC#CCN1CCC(N(C)C(=O)[C@H]2CCS(=O)(=O)N2)CC1 1006425989 NCHFDYGEKCYSCF-CYBMUJFWSA-N 313.423 -0.376 30 20 DBED C[C@H](C#N)C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cn1cncn1 1006445415 NYXQMJKCWXUGMP-KKOKHZNYSA-N 302.338 -0.314 30 20 DBED C#CCN1CCC[C@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)C1 1009416992 GCWTZISPIKNPLU-NSHDSACASA-N 306.366 -0.469 30 20 DBED CCN1C[C@H](C(=O)N2CCN(C(=O)C#CC3CC3)CC2)CC1=O 1011111159 CJKMZURPHRTROR-CQSZACIVSA-N 317.389 -0.061 30 20 DBED C=CC(C)(C)C(=O)N1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 1011144456 JQDNGFGLAMIJBP-JTQLQIEISA-N 322.365 -0.533 30 20 DBED Cn1cc(C(N)=O)cc1C(=O)N1[C@H]2CC[C@H]1CN(CC#N)C2 1017704633 GOWQXXYKNIHFNQ-RYUDHWBXSA-N 301.350 -0.064 30 20 DBED CC(=O)N1CC(C(=O)N2CC3(CCN(C(=O)[C@@H](C)C#N)C3)C2)C1 1018972013 CZUNUKHXFZMVKH-NSHDSACASA-N 318.377 -0.315 30 20 DBED N#CCN1[C@H]2CC[C@H]1CC(NC(=O)[C@@H]1CCS(=O)(=O)N1)C2 1021463321 ZAAABHIMKQODEE-SRVKXCTJSA-N 312.395 -0.687 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@@H](N[C@H](CC)C(N)=O)C1 1022221514 HUESTCKVDLCTEU-RQJABVFESA-N 306.410 -0.415 30 20 DBED O=C(N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O)C1CCOCC1 1022882791 COIAWNJDSPJMDA-ZIAGYGMSSA-N 306.362 -0.486 30 20 DBED CS[C@H](C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 1023455431 ZRWRGBIPAHESKY-GGZOMVNGSA-N 322.390 -0.061 30 20 DBED CC(=O)N1CCO[C@H](C(=O)NC[C@H]2CCCCN2CC#N)C1 1024785278 GYKXWXRZWLBCLJ-KGLIPLIRSA-N 308.382 -0.272 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2CCCN2CC(=O)NC)nn1 1028187417 JISVVLHZCVWENJ-LLVKDONJSA-N 306.370 -0.596 30 20 DBED CN1CCC[C@H](N2CC(NC(=O)c3ccc(C#N)[nH]3)C2)C1=O 1030226383 VUSKQIHCBSQWRS-ZDUSSCGKSA-N 301.350 -0.079 30 20 DBED C=CCn1cc(C(=O)NC2CN([C@@H]3CCCN(C)C3=O)C2)nn1 1031070334 YXBAWKGILPZBCP-CYBMUJFWSA-N 318.381 -0.501 30 20 DBED C#Cc1ccc(C(=O)NCC2CN([C@@H](C)C(=O)NC)C2)nc1 1032136790 GILWCWZBXJVXDZ-NSHDSACASA-N 300.362 -0.141 30 20 DBED C#CCN1CCC2(CCN(C(=O)c3nnc(O)nc3O)CC2)C1 1035203781 OMVUILNSZLMEDT-UHFFFAOYSA-N 317.349 -0.156 30 20 DBED C=CCN1CCO[C@H](CNC(=O)c2cn([C@@H]3CCOC3)nn2)C1 1035573872 OJRKNELTUSWWRM-CHWSQXEVSA-N 321.381 -0.144 30 20 DBED CC#CCN1CCO[C@H](CNC(=O)[C@H]2CCc3nn[nH]c3C2)C1 1035575258 YSGRUSBXCUHUPH-QWHCGFSZSA-N 317.393 -0.250 30 20 DBED CC#CCN1CCO[C@@H](CNC(=O)c2cncc(C(N)=O)c2)C1 1035614212 OQRBUDDCRYWPBP-AWEZNQCLSA-N 316.361 -0.366 30 20 DBED C#CCCN1CCO[C@@H](CNC(=O)[C@H]2CCC(=O)N(C)C2)C1 1035618348 ZOSYTWSAYSYARL-KBPBESRZSA-N 307.394 -0.305 30 20 DBED C=C(Cl)CN1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1nnc(O)nc1O 1037489353 OCDMVNBCMBQGQZ-GJMOJQLCSA-N 311.729 -0.162 30 20 DBED C#CCCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)CN1C(=O)CN(C)C1=O 1037713841 QTGIDPNNDNCJCB-UHIISALHSA-N 304.350 -0.907 30 20 DBED C#CCN[C@@H]1CCN(C(=O)CN2CCN(C)C(=O)C2)C[C@@H]1CC 1037867530 CHRZCIBREYPCAX-LSDHHAIUSA-N 320.437 -0.390 30 20 DBED CC[C@H]1CN(C(=O)CN2C(=O)CNC2=O)CC[C@H]1NCC#N 1037987468 UYPJOOZVKQEMQU-WDEREUQCSA-N 307.354 -0.722 30 20 DBED C[C@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(Cc1nnn(C)n1)CC2 1039347037 QXZJKFWOMWGXKM-WOPDTQHZSA-N 303.370 -0.065 30 20 DBED Cc1ccc(C(=O)NC[C@]2(O)CCN(C(=O)[C@H](C)C#N)C2)nn1 1039692462 XMVDVRIWXPRFFX-MEBBXXQBSA-N 317.349 -0.362 30 20 DBED C=CCCC(=O)N1CC[C@@](O)(CNC(=O)c2cncnc2O)C1 1040164463 SELOETJVEWSEQG-OAHLLOKOSA-N 320.349 -0.158 30 20 DBED N#Cc1nccc(N2C[C@@H](O)[C@H](NC(=O)Cc3cccnc3)C2)n1 1040971824 GYUKRRVREYLAOC-CHWSQXEVSA-N 324.344 -0.348 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)c2cnsn2)C1 1041691917 NUHLZGBNCCMEPU-UHFFFAOYSA-N 308.363 -0.499 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 1041963175 JCBKKLIQMWXPCL-NEPJUHHUSA-N 323.393 -0.634 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)c2cc(OC)ncn2)C1 1043180253 LYKGTMFOXGKELT-UHFFFAOYSA-N 320.349 -0.246 30 20 DBED N#Cc1nccc(N2C[C@H](O)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)n1 1043891881 LUQFPPFQFAAMGN-NEPJUHHUSA-N 323.316 -0.472 30 20 DBED Cc1n[nH]cc1C(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@@H]1O 1044358507 RJHWASQEVDNYFP-KGLIPLIRSA-N 312.333 -0.036 30 20 DBED N#Cc1cnccc1N1C[C@H](O)[C@H](NC(=O)Cc2cnc[nH]2)C1 1044604800 QDPRNSQSHOHUHD-OCCSQVGLSA-N 312.333 -0.415 30 20 DBED N#Cc1nccnc1N1CC[C@@H]2CCN(C(=O)CC(N)=O)C[C@@H]21 1044956336 FFCKNQPITLSTQS-JQWIXIFHSA-N 314.349 -0.349 30 20 DBED CC#CCCCC(=O)NCC1(O)CN(C(=O)c2ncn(C)n2)C1 1044993841 DAVXCQTZQIMGKN-UHFFFAOYSA-N 319.365 -0.688 30 20 DBED CC#CCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCOC2)C1 1044994637 XQYHTVCLGVRHNY-CYBMUJFWSA-N 308.378 -0.094 30 20 DBED C=C(C)C[C@H](C)C(=O)N1CC(O)(CNC(=O)c2cnon2)C1 1045196958 IDCJMCUGQCHAGT-JTQLQIEISA-N 308.338 -0.025 30 20 DBED COc1ccnc(C(=O)N2CC(O)(CNC(=O)[C@@H](C)C#N)C2)c1 1045565108 RPJKEMPMQZXIDI-JTQLQIEISA-N 318.333 -0.447 30 20 DBED C[C@@H](C#N)C(=O)N1CCN([C@@H]2CCN(Cc3cnon3)C2)CC1 1046013216 VFMJUJJAEXUOAI-GXTWGEPZSA-N 318.381 -0.052 30 20 DBED CN1C[C@H](C(=O)N2CCN([C@@H]3CCN(CC#N)C3)CC2)CC1=O 1046033228 BHLHBOUBSVWFRT-ZIAGYGMSSA-N 319.409 -0.793 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)C2CC3(CC3)C2)C1 1046358794 GQRCKGBCEJWDJS-UHFFFAOYSA-N 320.389 -0.094 30 20 DBED C=CCCN1C[C@H](O)[C@@H](N(C)C(=O)CC2CS(=O)(=O)C2)C1 1047435983 QTRLBKOMCZNAKE-STQMWFEESA-N 316.423 -0.499 30 20 DBED CN(C(=O)c1cc(C(F)F)nn1C)[C@H]1CN(CC#N)C[C@@H]1O 1047457869 QYWHTEMWWGVBQS-QWRGUYRKSA-N 313.308 -0.002 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C2CC2)N2CCOCC2)C1 1047635699 AGELZIQKCFJPFJ-JYJNAYRXSA-N 323.437 -0.213 30 20 DBED C=CCO[C@@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2ccon2)C1 1048378450 QPBFLMYHMKWKFF-DRZSPHRISA-N 323.349 -0.091 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2[nH]nnc2C)C1 1049155894 FRQCGCZYIQNOTB-QWRGUYRKSA-N 307.354 -0.277 30 20 DBED C#CCN1C[C@H]2CN(C(=O)c3cn([C@H]4CCOC4)nn3)C[C@H]2C1 1049159673 OYBNKVDLZVSDET-MJBXVCDLSA-N 315.377 -0.124 30 20 DBED CC(=O)N1CCOC[C@@H]1C(=O)N1C[C@@H]2CN(CC#N)C[C@@H]2C1 1049223459 QWSAELBOHGGFMW-HZSPNIEDSA-N 306.366 -0.853 30 20 DBED N#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)CN1CC(=O)NC1=O 1049791658 XJVIMAMYZRXJBS-QWRGUYRKSA-N 305.338 -0.873 30 20 DBED C[C@H](NC(=O)C#CC1CC1)[C@@H]1CCN(C(=O)c2nnn(C)n2)C1 1051342052 MOWYWMOFDRFPIV-CMPLNLGQSA-N 316.365 -0.410 30 20 DBED C#CCN1CCN([C@H]2CCN(C(=O)[C@H]3OCCO[C@H]3C)C2)CC1 1052037514 MWQRXTFITKAKFL-JYJNAYRXSA-N 321.421 -0.358 30 20 DBED C#CCCCC(=O)N1C[C@H](CNC(=O)c2nnn(C)n2)[C@@H](C)C1 1052482999 JSVCTRHLCVHFKA-RYUDHWBXSA-N 318.381 -0.162 30 20 DBED C=CCN1CC2(C[C@@H](NC(=O)CN3CC(=O)N(C)C3=O)CO2)C1 1053981819 VVKHJCLYAQRTMK-LLVKDONJSA-N 322.365 -0.974 30 20 DBED N#CCN1CC[C@@]2(CCCN(C(=O)CN3C(=O)CNC3=O)C2)C1 1054237065 SPYKNFVMDDPOII-HNNXBMFYSA-N 319.365 -0.624 30 20 DBED CC(=O)N1CCN(c2ccc(C#N)cn2)[C@H]2CS(=O)(=O)C[C@H]21 1054769766 RBVXVXVMAMHPPG-OLZOCXBDSA-N 320.374 -0.213 30 20 DBED C=CCOCC(=O)N1C[C@@H]2CN(C(=O)c3cnn[nH]3)C[C@@H]2C1 1055250297 CUJUMRLEIKDKAU-PHIMTYICSA-N 305.338 -0.462 30 20 DBED CN(C)C(=O)CC(=O)N1C[C@H]2CN(C(=O)C#CC3CC3)C[C@H]2C1 1055331780 FNADFUZPDOLOGT-OKILXGFUSA-N 317.389 -0.205 30 20 DBED C=CCCC(=O)N[C@@]1(CO)CCCN(C(=O)c2cnnn2C)C1 1055824450 ULKMONREROQLFP-HNNXBMFYSA-N 321.381 -0.135 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@](CO)(NC(=O)c2ncn(C)n2)C1 1055922161 FYAZRORGQFETOO-QMTHXVAHSA-N 320.353 -0.942 30 20 DBED N#Cc1nccc(N2C[C@H]3[C@H](NC(=O)[C@@H]4CCC(=O)N4)[C@H]3C2)n1 1056261388 CTRHWQGZKBXRDJ-AEISUSGSSA-N 312.333 -0.822 30 20 DBED N#Cc1cncc(N2CCCN(C(=O)[C@H]3CCNC3=O)CC2)n1 1057204593 FNXCWZAPRWDCGZ-LBPRGKRZSA-N 314.349 -0.477 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)CC(=O)NCC 1057392465 GHOYFKMKSQWZBD-UHFFFAOYSA-N 311.382 -0.747 30 20 DBED Cn1nnc(C(=O)N2CCC(Nc3nccnc3C#N)CC2)n1 1057405423 SNWBMKOLXRPZPZ-UHFFFAOYSA-N 313.325 -0.412 30 20 DBED Cc1n[nH]c(C)c1C(=O)NCCN(CCO)C(=O)C#CC1CC1 1057533295 LWUIZBAOGOAZHM-UHFFFAOYSA-N 318.377 -0.009 30 20 DBED N#Cc1nccc(N2CCC(NC(=O)[C@@H]3COC(=O)N3)CC2)n1 1057864982 SMPRKJCFUGLAAL-JTQLQIEISA-N 316.321 -0.458 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)[C@]1(C)CNC(=O)C1 1058131681 SJFQGHQFHANDJG-INIZCTEOSA-N 323.393 -0.891 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)CCCN1CCCC1 1058660740 HFNAPEUBSFTXAE-AWEZNQCLSA-N 324.425 -0.041 30 20 DBED C=CCC(C)(C)C(=O)NCCN(CCO)C(=O)Cc1nc[nH]n1 1058891005 RNQCQAPBRMYACB-UHFFFAOYSA-N 323.397 -0.113 30 20 DBED C#CCO[C@@H](C)C(=O)NCC[C@H]1CCN(C(=O)CNC(N)=O)C1 1059121109 MGZUDNMEEPPEKQ-RYUDHWBXSA-N 324.381 -0.952 30 20 DBED Cc1cc(C#N)nc(N[C@H]2C[C@@H](NC(=O)c3nnn(C)n3)C2)n1 1059790363 BFGNFIZKFQCNBW-DTORHVGOSA-N 313.325 -0.447 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CC[C@H](NC(=O)Cn2ncnn2)CC1 1060737807 CMGWURGIJKFYTA-SRVKXCTJSA-N 319.369 -0.376 30 20 DBED N#Cc1cccnc1NC[C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 1060972422 KCEBIAPVSICAKV-PWSUYJOCSA-N 314.349 -0.105 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)[C@@H]2CCN(C)C2=O)CCC1 1064310524 MPJNMIORWZLICO-QWRGUYRKSA-N 306.366 -0.221 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(C(=O)c2cnns2)CCO1 1064907525 LTKJCIXPWMKBFY-LLVKDONJSA-N 320.374 -0.091 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2nc(C)c[nH]2)CCO1 1065203029 XLBWYRFGQHLQBK-LBPRGKRZSA-N 322.365 -0.122 30 20 DBED N#Cc1cncc(N2CCOC[C@H]2CNC(=O)[C@H]2CCCO2)n1 1066457797 SHNISUPDZFUYBV-CHWSQXEVSA-N 317.349 -0.151 30 20 DBED C[C@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1N=c1cc[nH]c(C#N)n1 1067049467 LXYRLRXIWJGGJU-VHSXEESVSA-N 323.378 -0.926 30 20 DBED CN(CCCN(C)C(=O)Cn1cnnc1O)C(=O)C#CC1CC1 1067243528 OGWLCOHRUGZXSN-UHFFFAOYSA-N 319.365 -0.296 30 20 DBED Cn1cc(C(=O)NCC2[C@@H]3CN(c4cncc(C#N)n4)C[C@@H]23)nn1 1068171328 WAUWABYUVPVGIZ-RYUDHWBXSA-N 324.348 -0.411 30 20 DBED C=CCOCC(=O)N1CCOC2(C1)CN(C(=O)[C@@H](C)OC)C2 1068354735 AWJANCBZYZOHSN-GFCCVEGCSA-N 312.366 -0.336 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H]1C[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 1068573150 KVHFGZRGRDEAQJ-GAFUQQFSSA-N 314.349 -0.637 30 20 DBED C[C@@H]1C[C@H](Nc2nccnc2C#N)CN1C(=O)CS(C)(=O)=O 1069040417 ILODZFXKBDXCCM-ZJUUUORDSA-N 323.378 -0.206 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN(CC(N)=O)C[C@@H]2n2ccnn2)C1 1070018255 AHZVGNXKQYSCQN-NEPJUHHUSA-N 318.381 -0.539 30 20 DBED C=CCOCC(=O)N[C@@H]1CCCN(C(=O)CN2CCCC2=O)C1 1070412001 HOFABDJPRJSBGD-CYBMUJFWSA-N 323.393 -0.081 30 20 DBED C#CCN1CCOC[C@H]1c1n[nH]c(CNC(=O)[C@@H]2CCCO2)n1 1070578570 HRHJBEQWAJMUTR-RYUDHWBXSA-N 319.365 -0.394 30 20 DBED CN1CC[C@@H](C(=O)N2C[C@@H](NCC#N)[C@H](c3cncn3C)C2)C1 1070719152 UMBDXOGAGDYFNU-MGPQQGTHSA-N 316.409 -0.221 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)CN4CCCC4=O)C[C@@]3(C1)O2 1070757254 NDKAVNWQWDSHBM-JJRVBVJISA-N 317.389 -0.456 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H]2C[C@@H]3CN(CC(N)=O)C[C@]2(C1)O3 1070835151 IGLMIPAPADFOBW-XHBSWPGZSA-N 307.394 -0.014 30 20 DBED C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1NC(=O)c1cnn[nH]1 1071659503 XJDPGTNXMGAWNS-PSASIEDQSA-N 308.367 -0.362 30 20 DBED C=CCOCC(=O)N1C[C@H](C)[C@@H](NC(=O)c2ncn(C)n2)C1 1071807877 BYIPNBOJTTXACS-QWRGUYRKSA-N 307.354 -0.406 30 20 DBED C[C@H]1CN(C(=O)CN2CCOCC2)C[C@@H]1NC(=O)C#CC1CC1 1071919170 XSNFJCVTZFNJQG-ZFWWWQNUSA-N 319.405 -0.305 30 20 DBED CNC(=O)NCC(=O)NC1(C)CCN(C(=O)[C@@H](C)C#N)CC1 1073231170 VAGZLERPRVBQPD-JTQLQIEISA-N 309.370 -0.428 30 20 DBED CN(C)C(=O)CN1CCO[C@H]2CCN(C(=O)C#CC3CC3)C[C@H]21 1074235435 GKIKTYBEYIYCKR-CABCVRRESA-N 319.405 -0.210 30 20 DBED CC#CCN1C[C@@H]2CCN(C(=O)C3CC(=O)NC(=O)C3)[C@@H]2C1 1076356158 YGGHYHZQPJXCGL-WCQYABFASA-N 303.362 -0.405 30 20 DBED C=CCO[C@@H](C)C(=O)NCC[C@H](C)NC(=O)CS(C)(=O)=O 1077066435 PBRSCBIGAXGWLV-QWRGUYRKSA-N 320.411 -0.367 30 20 DBED CN1CCOc2ccc(C(=O)N[C@@H]3CN(CC#N)C[C@H]3O)cc21 1077226134 AYJGFLKZHOPLKG-TZMCWYRMSA-N 316.361 -0.186 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN(C(C)(C)C)C2=O)C1 1077550196 WCVVWMCESCDHMI-BFHYXJOUSA-N 321.421 -0.182 30 20 DBED CCc1ncnc(CC)c1C(=O)N[C@@H]1CN(CC#N)C[C@H]1O 1077691302 SMKZEJYWPWKLAI-CHWSQXEVSA-N 303.366 -0.100 30 20 DBED C=CCOCC(=O)N[C@@H](C)CCNC(=O)[C@@H](COC)OC 1078259064 VPMNZDOFRXYBMU-NWDGAFQWSA-N 302.371 -0.139 30 20 DBED C#Cc1ccc(C(=O)N2C[C@@H](O)[C@H](CNC(=O)C(F)F)C2)nc1 1081151842 DHLONLPXSVZTDZ-ZYHUDNBSSA-N 323.299 -0.123 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(C(=O)c2cnsn2)C[C@H]1O 1081469653 ZKJHGTBQSYSLMX-CMPLNLGQSA-N 320.374 -0.499 30 20 DBED CC#CCN1C[C@@H](NC(=O)C[C@@H]2CCC(=O)NC2)[C@H](OC)C1 1081792046 GMOVDABDNMMJAM-BFHYXJOUSA-N 307.394 -0.259 30 20 DBED C=CCN1C[C@@H](NC(=O)c2cnc3c(c2)nnn3C)[C@H](OC)C1 1081954404 VASZMQVIZYRVTA-CHWSQXEVSA-N 316.365 -0.022 30 20 DBED Cc1noc(CN2C[C@H]3[C@@H](C2)OCCN3C(=O)[C@@H](C)C#N)n1 1083026051 MGHWUVFBXTYMHL-ZMLRMANQSA-N 305.338 -0.051 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1c(C)ncnc1O 1083172021 GBSOHMUXBFHILJ-NWDGAFQWSA-N 302.334 -0.351 30 20 DBED Cn1nnc(CN2CC[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]3C2)n1 1087962408 OOBPTTGEQNYRKE-KGLIPLIRSA-N 314.393 -0.096 30 20 DBED CC(=O)NCC(=O)N[C@H]1CC[C@H](C)N(c2nccnc2C#N)C1 1089117137 YZUFKLABKVTKON-JQWIXIFHSA-N 316.365 -0.042 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1O 1090392235 RFADSMAWXICKGG-VXGBXAGGSA-N 303.322 -0.783 30 20 DBED Cn1cc(C(C)(C)C(=O)N[C@@H]2CCN(CC#N)C[C@@H]2O)cn1 1090684877 COPKMESYNKKGOS-OLZOCXBDSA-N 305.382 -0.227 30 20 DBED C=CCNC1CC(CNC(=O)c2cn(C)c(=O)n(C)c2=O)C1 1091263391 DHGBAIHHDOJSKR-UHFFFAOYSA-N 306.366 -0.632 30 20 DBED N#Cc1cncc(N[C@H]2C[C@H](CNC(=O)CNC(N)=O)C2)n1 1091423139 SSVPHWXOLIIGCV-KYZUINATSA-N 303.326 -0.677 30 20 DBED C#CCN1C[C@@H]2CN(C(=O)[C@@H]3CN(C(C)=O)CCO3)C[C@]2(C)C1 1092242687 XRRHGAIBDOYUCS-VYDXJSESSA-N 319.405 -0.353 30 20 DBED C=CCN1C[C@@H]2CN(C(=O)CN3C(=O)CNC3=O)C[C@]2(C)C1 1092260647 ZAFKFNNUDYXRCR-ABAIWWIYSA-N 306.366 -0.496 30 20 DBED CN1CC[C@@H](C(=O)N2CCC(OC3CN(CC#N)C3)CC2)C1=O 1093561142 BKQLBOKPWDENRE-CQSZACIVSA-N 320.393 -0.320 30 20 DBED N#Cc1ccc(NCCNC(=O)[C@H]2CCc3nn[nH]c3C2)nn1 1093761227 VVZRZDVZFDSVIS-VIFPVBQESA-N 312.337 -0.200 30 20 DBED N#Cc1cncc(NCCNC(=O)CCN2C(=O)CCC2=O)n1 1093976207 YSBZOTAWIOMKQF-UHFFFAOYSA-N 316.321 -0.585 30 20 DBED CN1CC[C@@H](C(=O)NCCNc2ccc(C#N)nn2)CC1=O 1094239555 UIDLTXQZMKLGIO-SNVBAGLBSA-N 302.338 -0.255 30 20 DBED CN(CCCNC(=O)[C@]1(C)CNC(=O)C1)c1cncc(C#N)n1 1095681506 CNYQFIVJMXJJCW-HNNXBMFYSA-N 316.365 -0.183 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCCN(c2cc(F)ncn2)C1 1096163000 WUEZYIJLMVUHBO-LLVKDONJSA-N 319.340 -0.160 30 20 DBED CCNC(=O)CC(=O)N[C@H]1C[C@@H](Nc2ccc(C#N)nn2)C1 1097176683 QYOVFALWGKXNAA-PHIMTYICSA-N 302.338 -0.066 30 20 DBED C[C@@H](CNC(=O)COC[C@@H]1CCCO1)N=c1cc[nH]c(C#N)n1 1097927716 GBPJLUXLLCGPTJ-RYUDHWBXSA-N 319.365 -0.118 30 20 DBED C#CCOCCC(=O)N[C@H]1CCN(Cc2csnn2)C[C@@H]1O 1099832323 FXWRPOHLYNFLEZ-STQMWFEESA-N 324.406 -0.371 30 20 DBED CN(CCNC(=O)c1ccn2nnnc2c1)c1nccnc1C#N 1100278820 QSMPJCCYSNZEMQ-UHFFFAOYSA-N 323.320 -0.348 30 20 DBED C[C@H]1CC(=O)N[C@@H](C(=O)NCCN(C)c2ccnc(C#N)n2)C1 1100363789 YAPNVASPQNPQOR-GHMZBOCLSA-N 316.365 -0.185 30 20 DBED C=CCNC1CC(CNC(=O)[C@H](CCC(N)=O)NC(C)=O)C1 1100762959 AFBGQCGJXXWQPN-BPCQOVAHSA-N 310.398 -0.573 30 20 DBED Cc1cc(=NCCN(C)C(=O)[C@H]2COCCN2C)c(C#N)c[nH]1 1101564149 GQQXBVCOWMKLRQ-OAHLLOKOSA-N 317.393 -0.116 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CC2(CN(CCCO)C2)n2ccnc21 1101620137 CPLGZBQCDWLFKS-NWDGAFQWSA-N 303.366 -0.003 30 20 DBED C[C@@H](CC(N)=O)C(=O)N[C@H]1CC2(CN(CC#N)C2)n2ccnc21 1101635793 SCQHOYPNDRKXBJ-QWRGUYRKSA-N 316.365 -0.510 30 20 DBED CN(CCNc1cncc(C#N)n1)C(=O)[C@@H]1CCC(=O)NC1 1102027788 YFNXSTIEGJBPJZ-SNVBAGLBSA-N 302.338 -0.255 30 20 DBED Cc1cc(=NCCN(C)C(=O)[C@H](C)S(C)(=O)=O)c(C#N)c[nH]1 1102032577 OWMDNJQTPSYZFL-NSHDSACASA-N 324.406 -0.013 30 20 DBED CC(=O)NCC(=O)N(C)[C@H]1CCN(c2ccc(C#N)nn2)C1 1102669979 MOXYCBNIEBMBAC-LBPRGKRZSA-N 302.338 -0.479 30 20 DBED CC[C@@H](CNC(=O)Cn1cnnn1)Nc1cncc(C#N)n1 1102968696 KFXSQNPFPJAXPK-VIFPVBQESA-N 301.314 -0.658 30 20 DBED C#CCN1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CN(C(C)=O)CCO2)C1 1103687085 IXWZKHBUBXJBFJ-FVQBIDKESA-N 321.421 -0.059 30 20 DBED Cc1cc(=NC[C@H](C)CNC(=O)Cn2cnnn2)c(C#N)c[nH]1 1103853836 QFDNZHRAVMRZRD-JTQLQIEISA-N 314.353 -0.466 30 20 DBED C#CCNCC[C@@H]1CN(C(=O)CN2C(=O)CN(C)C2=O)C[C@H]1C 1104987080 LRYDVGTZSVZDSL-CHWSQXEVSA-N 320.393 -0.412 30 20 DBED N#CCNCc1cn(C2CN(C(=O)CSCC#N)C2)nn1 1105171538 MHJPADFUJRSSAF-UHFFFAOYSA-N 305.367 -0.469 30 20 DBED CC(C)[C@H](CNC(=O)[C@H](C)CC(N)=O)N=c1cc[nH]c(C#N)n1 1105263504 XQGCZKFOFSUETP-MNOVXSKESA-N 318.381 -0.166 30 20 DBED Cc1cc(C(=O)NC[C@H](O)CN=c2cc[nH]c(C#N)n2)ns1 1105806266 SYLYAVAMFGPHTC-SECBINFHSA-N 318.362 -0.262 30 20 DBED Cc1nc(NC[C@@H](O)CNC(=O)c2cn(C)nn2)ccc1C#N 1105815786 MWHJWXUJEZURPP-LLVKDONJSA-N 315.337 -0.407 30 20 DBED Cc1cn(C)nc1C(=O)NC[C@H](O)CNc1nccnc1C#N 1105819255 WJWYEGSOMQJZMM-SNVBAGLBSA-N 315.337 -0.407 30 20 DBED COC[C@H](OC)C(=O)NC[C@@H](O)CNc1ncccc1C#N 1106088175 ZXQYRYZXZRSYCZ-RYUDHWBXSA-N 308.338 -0.496 30 20 DBED C[C@@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)C1=COCCO1 1106191192 KUEGCNVUFMILKF-JTQLQIEISA-N 303.322 -0.035 30 20 DBED C[C@H](CCN=c1cc[nH]cc1C#N)NC(=O)[C@@H]1CCC(=O)N1 1106393182 IHPKTMKGMXRXPL-MFKMUULPSA-N 301.350 -0.040 30 20 DBED Cc1nn[nH]c1C(=O)N[C@@H](C)CCN=c1cc[nH]c(C#N)n1 1106513451 YXFIIFHBGGJFEX-QMMMGPOBSA-N 300.326 -0.183 30 20 DBED C[C@H](CCNc1ncccc1C#N)NC(=O)[C@H]1CNC(=O)N1 1106544336 ZKXRTFWWUKIRCT-MWLCHTKSSA-N 302.338 -0.059 30 20 DBED C#CCNC[C@@H]1CN(C(=O)c2nccnc2C(N)=O)C[C@H]1C 1106963975 UJIQGGMIZXIASR-GHMZBOCLSA-N 301.350 -0.494 30 20 DBED N#Cc1nc(=NC/C=C\CNC(=O)C2=COCCO2)cc[nH]1 1107018677 SSSUNERIHZRIOX-UPHRSURJSA-N 301.306 -0.257 30 20 DBED C=CCOCCN1CC(n2cc(CNC(=O)CCOC)nn2)C1 1107113912 WYVPBOXVDLFVSS-UHFFFAOYSA-N 323.397 -0.010 30 20 DBED C=C(Cl)CN1CCO[C@@](C)(CNC(=O)CS(C)(=O)=O)C1 1107786439 XYUWINRXJNOMFT-LBPRGKRZSA-N 324.830 -0.009 30 20 DBED C[C@@]1(CNC(=O)C=C2CCC2)CN(CC(=O)NCC#N)CCO1 1107862695 WMSZORDMBVTHIO-MRXNPFEDSA-N 320.393 -0.056 30 20 DBED C=C(Cl)CN1CCO[C@](C)(CNC(=O)Cn2ncnn2)C1 1107946490 VQSBULFPCREPHH-GFCCVEGCSA-N 314.777 -0.367 30 20 DBED C=CCN1CCO[C@](C)(CNC(=O)CN2CCOCC2=O)C1 1107997017 OCFXCYUVIQARDB-OAHLLOKOSA-N 311.382 -0.762 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)[C@@H]2CCN(C(C)=O)C2)C1 1108369099 JVQCRGNVXWOILP-GDBMZVCRSA-N 307.394 -0.305 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)CCc3cn[nH]c3)CC2=O)C1 1108579822 CNDPPQPNYMHWCP-ZDUSSCGKSA-N 315.377 -0.623 30 20 DBED C[C@@H](CNc1ccc(C#N)nn1)NC(=O)[C@]1(C)CNC(=O)C1 1108610724 MOFGKSZKQYHDQA-XPTSAGLGSA-N 302.338 -0.209 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CN(C)c1ccnc(C#N)n1 1108945291 PIIXINVPNKEMFZ-NSHDSACASA-N 314.349 -0.571 30 20 DBED CC(C)(C(N)=O)C(=O)N[C@H]1[C@H]2C[C@H]1N(c1ccc(C#N)nn1)C2 1109728249 KRNKSRHNSBSSEW-XRNSZHNASA-N 314.349 -0.447 30 20 DBED C[C@H]1OCC[C@@H]1C(=O)N(CCO)CCN=c1cc[nH]c(C#N)n1 1111497703 NXUGNWHUUQFRGZ-NEPJUHHUSA-N 319.365 -0.572 30 20 DBED N#Cc1nccc(NC2(CNC(=O)CCNC(N)=O)CCC2)n1 1111808320 LBJHIBCBIJACCI-UHFFFAOYSA-N 317.353 -0.143 30 20 DBED Cc1cc(=NCC2(NC(=O)C(N)=O)CCOCC2)c(C#N)c[nH]1 1112263335 UJCDPSGADWXVDJ-UHFFFAOYSA-N 317.349 -0.754 30 20 DBED C[C@H]1CN(C(=O)CCNC(N)=O)C[C@@H]1Nc1nccnc1C#N 1112312179 CGTDRDWYTQQLQD-ONGXEEELSA-N 317.353 -0.335 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)c2cn3c(n2)CCC3)CC1 1112864493 MUPVJQWEDOEGAG-UHFFFAOYSA-N 316.365 -0.773 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCN(CCN2C(=O)CNC2=O)CC1 1113713500 RRERZEVWZWYEGM-LBPRGKRZSA-N 324.381 -0.727 30 20 DBED N#CCNC(=O)CN1C[C@H]2C(NC(=O)/C=C/c3ccco3)[C@@H]2C1 1113795068 DSOCAOBEHGPTCN-CDJBXZAQSA-N 314.345 -0.021 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@H](C)OCC3CC3)[C@H]2C1 1113988073 PHUOMKPYVMEMHC-YYWXWVFPSA-N 319.405 -0.403 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@@H](C)n3cccc3)[C@H]2C1 1114143406 NZAVTCWKRJVHSI-NYTXWWLZSA-N 314.389 -0.155 30 20 DBED C#CCCN1C[C@@H]2C(NC(=O)CNC(=O)N3CCCC3)[C@H]2C1 1114266905 ZSXRQBZNJUWARP-STQMWFEESA-N 304.394 -0.139 30 20 DBED C=CCOCCNC(=O)C(=O)N1CC[S@](=O)[C@@H](C)[C@@H]1C 1118442631 AEAPRFSRWHEXJX-MKXJDEKUSA-N 302.396 -0.327 30 20 DBED Cc1nonc1CC(=O)N(C)C[C@@H](C)N=c1cc[nH]c(C#N)n1 1120054934 WGFUDCLQPLVXHH-SECBINFHSA-N 315.337 -0.037 30 20 DBED C#CCNC1(CNC(=O)c2cn(CC(N)=O)nn2)CCCCC1 1120202574 FULRENKUZIHYHM-UHFFFAOYSA-N 318.381 -0.581 30 20 DBED C[C@H](C(=O)NC[C@@H](CO)Nc1cncc(C#N)n1)n1cncn1 1121345862 HHMQHDSEMCLMGG-KOLCDFICSA-N 316.325 -0.910 30 20 DBED COCCO[C@@H](C)C(=O)NC[C@@H](CO)Nc1ncccc1C#N 1122014508 XXZQGDNPCNINDX-AAEUAGOBSA-N 322.365 -0.106 30 20 DBED N#Cc1cnc(N[C@H](CO)CNC(=O)CC2=CCOCC2)cn1 1122480305 IDCUZADHPNPXCF-ZDUSSCGKSA-N 317.349 -0.026 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)[C@H]1C[C@H]2C=C[C@H]1C2 1123054214 MPQWLXRPGCRMFE-AVGNSLFASA-N 320.393 -0.084 30 20 DBED CC(=O)CCCC(=O)N(C)C[C@@H](O)CN=c1cc[nH]c(C#N)n1 1124116398 HNMUMAZKKJJGTF-LBPRGKRZSA-N 319.365 -0.239 30 20 DBED CN(C[C@@H](O)CNc1cncc(C#N)n1)C(=O)c1cnnn1C 1124271500 LIDGLTNPSNVURJ-JTQLQIEISA-N 316.325 -0.978 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)c2ccc(C)nn2)C1=O 1126932481 ZHFIKJKQZMDFJE-CYBMUJFWSA-N 303.366 -0.109 30 20 DBED C=C(C)[C@H](CC(=O)NCCNCc1nc(=O)n(C)[nH]1)OCC 1128528250 KQVAUDAZLFMYOR-NSHDSACASA-N 311.386 -0.315 30 20 DBED C#CCNC[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](C)OC)n1 1130187964 SDYNBUAZQWRWQZ-WOPDTQHZSA-N 321.381 -0.449 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1cn2c(n1)COCC2 1130248881 XULAFQOORXSJBO-UHFFFAOYSA-N 307.354 -0.965 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1cccc2ncnn12 1130908143 IAAILXSOEMOEKG-LLVKDONJSA-N 314.349 -0.813 30 20 DBED CC(C)C#CC(=O)N1CC[C@H](C)[C@H](CNCC(=O)NC(N)=O)C1 1132809239 NEGIUQPVJTUHMD-QWHCGFSZSA-N 322.409 -0.085 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)[C@H](CC)NC(C)=O 1134178800 QYNOSGHJLDDPRA-AWEZNQCLSA-N 324.425 -0.193 30 20 DBED C=CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)Cc1n[nH]c(C)n1 1134356189 NVECVYVRBXDQRX-GHMZBOCLSA-N 322.413 -0.169 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)C12CCN(CC1)C2 1135939339 YOUISSGYZYJDOG-KGLIPLIRSA-N 320.437 -0.296 30 20 DBED COCC#CCN[C@H](C)C[C@@H](C)NC(=O)c1ccc(=O)n(C)n1 1136119189 QETVZQKYKZCYTE-CHWSQXEVSA-N 320.393 -0.083 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)C(=O)N1CCC[C@H]1CC 1147022844 SSPSBIMMSWWTSU-QWHCGFSZSA-N 322.409 -0.769 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)C#CC(C)C)C2 1147499055 OMMFTUHLIWNGRV-UHFFFAOYSA-N 301.390 -0.071 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC2(CCN(Cc3nncn3C)C2)C1 1147531021 VKAJCBNICPKIPO-ZDUSSCGKSA-N 317.393 -0.112 30 20 DBED CO[C@](C)(C(=O)NCCNCC(=O)NCC#N)c1ccccc1 1148204014 WYGSWDHEEZFADT-INIZCTEOSA-N 318.377 -0.106 30 20 DBED C=C(Cl)CN1CCCO[C@@H](CNC(=O)CS(C)(=O)=O)C1 1149303390 VORULXAOYKTZED-NSHDSACASA-N 324.830 -0.009 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)CCCCNC(N)=O)C1 1149947483 ZTNGSESBJYVTNQ-CYBMUJFWSA-N 310.398 -0.335 30 20 DBED N#Cc1ccc(CNCCNC(=O)C[C@@H]2CC(=O)NC2=O)cc1 1153882501 HYNFVGGNXATVQO-CYBMUJFWSA-N 314.345 -0.183 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)[C@H](C)NC(C)=O)C1=O 1154373217 OTQAGRPIAJYHDU-AAEUAGOBSA-N 310.398 -0.606 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)c1ccnc(OC)c1 1161659422 JRDSQFBZYDPRGD-GFCCVEGCSA-N 318.377 -0.062 30 20 DBED COCC#CCNCCCNC(=O)C[C@H]1CCS(=O)(=O)C1 1162034501 LHXQHUOCHZJEIZ-CYBMUJFWSA-N 316.423 -0.443 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1cc(C2CC2)[nH]n1 1167252492 JYQOOLAXIALZPY-UHFFFAOYSA-N 303.366 -0.254 30 20 DBED C=CCNC(=O)CNCCCNC(=O)CCCN(C)C(C)=O 1174784866 XQJUXGWQULLWCS-UHFFFAOYSA-N 312.414 -0.357 30 20 DBED C[C@H](CCCCNCC(=O)NCC#N)NC(=O)Cn1ccnc1 1176828513 BUJNXVUORBFZRL-CYBMUJFWSA-N 320.397 -0.213 30 20 DBED N#CCN1CCO[C@H]2CCN(C(=O)CCCCC(N)=O)C[C@@H]21 1177133266 ZHQJJJADFCADLQ-STQMWFEESA-N 308.382 -0.143 30 20 DBED N#CCNC(=O)CNCCCCCCNC(=O)[C@@H]1CCOC1 1177988733 RSLUKCCLLOIAPO-CYBMUJFWSA-N 310.398 -0.071 30 20 DBED CCS(=O)(=O)NCCN[C@H]1CCN(C(=O)[C@@H](C)C#N)[C@H]1C 1178351068 GMUGUYCRYIBXMC-SRVKXCTJSA-N 316.427 -0.336 30 20 DBED C[C@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)Cc1cccnc1 1178473163 LNKIHBFIYCQJJO-JSGCOSHPSA-N 315.377 -0.157 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](NCC(=O)NCC#N)[C@@H]1C 1179566033 VDJHKCBOVPAPLC-CRWXNKLISA-N 320.393 -0.204 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(Cc2nnnn2C(C)C)C[C@H]1O 1192503699 IWRJISCOCPVFAO-CHWSQXEVSA-N 320.397 -0.281 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2nonc2C)C[C@H]1O 1192885645 BWAPEPVPKIUBPG-CHWSQXEVSA-N 308.338 -0.921 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2nonc2C)C1 1194472040 PXRPKAUNYVBGAP-NSHDSACASA-N 305.338 -0.726 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)C(C)(C)C=C)C1 1195333811 NYIQQLQUXBRLLM-JHJVBQTASA-N 307.394 -0.502 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C[C@H](C=C)CC)C1 1195554336 GCXCYJLJONWXEP-MGPQQGTHSA-N 307.394 -0.501 30 20 DBED CC#CCN1CCCN(C(=O)CN(C)S(C)(=O)=O)CC1 1196053200 WAPVUANRFNTTHZ-UHFFFAOYSA-N 301.412 -0.565 30 20 DBED COCCOc1cncc(C(=O)N[C@@H]2CN(CC#N)C[C@H]2O)c1 1197349098 CEXDFPSLISYKOU-ZIAGYGMSSA-N 320.349 -0.595 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)c2cnn(CCCOC)c2)C1 1197644863 VKNGYIHZZJHOLQ-HUUCEWRRSA-N 320.393 -0.282 30 20 DBED CCCN(C)CCC(=O)N1CCCN(CC(=O)NCC#N)CC1 1197907213 ACBNNHMNVYOPBB-UHFFFAOYSA-N 323.441 -0.108 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)CNC(=O)c2ccccc2)C1 1198076556 ZSNPMYBQEMIDDL-HUUCEWRRSA-N 315.373 -0.399 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)c2cnn(C)c2OC)C1 1198179824 PEFBYDPMKICYTD-CHWSQXEVSA-N 324.381 -0.594 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)C(C)(C)CS(C)(=O)=O)C1 1199317760 BVMBANIDSXVPPZ-VXGBXAGGSA-N 316.423 -0.758 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CCN(C(=O)COCC=C)CC1 1199776324 CXXYMDUEXUCWQA-CYBMUJFWSA-N 307.394 -0.093 30 20 DBED C#CCNC(=O)[C@H](C)NC1CCN(C(=O)COCC=C)CC1 1199776325 CXXYMDUEXUCWQA-ZDUSSCGKSA-N 307.394 -0.093 30 20 DBED N#CCNC(=O)CNC1CCN(C(=O)Cc2ccon2)CC1 1199903710 GMBAKMXCDIZYOI-UHFFFAOYSA-N 305.338 -0.563 30 20 DBED Cn1cnc(C(=O)N2CCC(NCC(=O)NCC#N)CC2)c1 1200057800 VUEDUVOXHNCISB-UHFFFAOYSA-N 304.354 -0.746 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)[C@H](C)S(C)(=O)=O)CCCO1 1200814842 MJKUOUBVZXQIHI-QWHCGFSZSA-N 316.423 -0.350 30 20 DBED C#CCNC[C@@H]1CN(C(=O)c2ncc(OC)cn2)CCCO1 1200937828 OYCOECQUZVRYAW-CYBMUJFWSA-N 304.350 -0.061 30 20 DBED C#CCNC[C@@H]1CN(C(=O)c2ccc(C(N)=O)cn2)CCCO1 1202199899 FEAAMYAUFHPIDE-CYBMUJFWSA-N 316.361 -0.366 30 20 DBED C=CCn1cc(C(=O)N2CCC(CNCC(N)=O)CC2)nn1 1206516370 LZYBDHFYCGVOJZ-UHFFFAOYSA-N 306.370 -0.609 30 20 DBED Cc1cn(C)nc1C(=O)N1CCC[C@H](NCC(=O)NCC#N)C1 1208008353 HMYNMWPUPQIZRG-LBPRGKRZSA-N 318.381 -0.438 30 20 DBED CC#CCN[C@H]1CCCN(C(=O)COCc2nncn2C)C1 1210417231 OHFPNCSSRPDFCJ-ZDUSSCGKSA-N 305.382 -0.064 30 20 DBED COCC#CCN[C@H]1CCCN(C(=O)CN2C(=O)CCC2=O)C1 1211007544 BQZUMBKMJMHYRH-ZDUSSCGKSA-N 321.377 -0.634 30 20 DBED C#CCN1C[C@@H](NC(=O)C2(COC)CCOCC2)[C@H](OC)C1 1212379592 GRIDKMMYYYCHJR-ZIAGYGMSSA-N 310.394 -0.122 30 20 DBED C=C(C)CN1C[C@@H](NC(=O)CC[C@H]2NC(=O)NC2=O)[C@H](OC)C1 1213829341 QUTAYIJPOZCBCR-IJLUTSLNSA-N 324.381 -0.634 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)C[C@H]2CCC(=O)N2)C[C@H]1C 1215878093 FIZZCSZKZODMKK-JHJVBQTASA-N 322.409 -0.606 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN([C@@H](C)c2nc(C)no2)C[C@@H]1O 1219600027 ZVHKYYAZSTZJFU-UHTWSYAYSA-N 322.365 -0.360 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(CCOCC(C)C)C[C@@H]1O 1219604980 FTPQTMANYRLZJB-KFWWJZLASA-N 312.410 -0.141 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)CCc2ccnn2C)C1 1219727316 CBWBQLLVBGROSJ-CABCVRRESA-N 322.409 -0.283 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)COCc2nc(CC)no2)C1 1220732256 OHOPYFKYBIXVCW-NEPJUHHUSA-N 322.365 -0.667 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)CCCCCNC(C)=O)C1 1220915531 FJRHMEOOZTWBJX-CABCVRRESA-N 309.410 -0.133 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)[C@@H]3CCCN3C)[C@@H]2C1 1221445066 YTAFHPQCDWSKLH-QLFBSQMISA-N 318.421 -0.637 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)[C@H]2CCO[C@@H]2C)CC1 1224948191 VXPUMFQNZYCBBB-HIFRSBDPSA-N 321.421 -0.011 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC(NC(=O)c2cnns2)CC1 1226259306 IJYYPMZZQJYYRS-JTQLQIEISA-N 321.406 -0.130 30 20 DBED COCC#CCN1CCC(NC(=O)CN2CCOCC2)CC1 1226898752 CBYRRQUCCNVZAF-UHFFFAOYSA-N 309.410 -0.451 30 20 DBED C#CCOCCC(=O)NC1CCN([C@@H]2CCCNC2=O)CC1 1227322848 FGUILTYTTACJOB-CQSZACIVSA-N 307.394 -0.115 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)Cc1cncnc1 1234019158 CXARJQJDQXJQFK-CQSZACIVSA-N 315.377 -0.699 30 20 DBED C=CCNC(=O)[C@H](C)N1CC[C@@H]1CN(C)C(=O)c1cn(C)nn1 1234051848 XAIHKGMYVSMAMK-NWDGAFQWSA-N 320.397 -0.348 30 20 DBED C#CCN1CC[C@H]1CN(C)C(=O)[C@@H](Cn1cccn1)N(C)C 1235303415 KMGAISQZFMZHHZ-LSDHHAIUSA-N 303.410 -0.021 30 20 DBED CC[C@@H]1CCO[C@@H]1C(=O)N(C)C[C@H]1CCN1CC(=O)NCC#N 1235493299 YYFCUWUOIOYSFU-NFAWXSAZSA-N 322.409 -0.026 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCC(c2cn[nH]c2)CC1 1323699285 RRGKAYVLAZXGPW-UHFFFAOYSA-N 304.350 -0.118 30 20 DBED CC(=NN1CC(=O)N(C)C1=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 1323948873 NPIGKRHLZZJKIQ-UHFFFAOYSA-N 315.289 -0.166 30 20 DBED C#CCN1CCC(C(=O)NCC2(C(N)=O)CCOCC2)CC1 1324143690 PIEYBLRXBAYVBX-UHFFFAOYSA-N 307.394 -0.270 30 20 DBED C=CCn1c(Cc2noc(CN)n2)nnc1N1CCOCC1 1325933311 GKNRQSUKWJVIJK-UHFFFAOYSA-N 305.342 -0.267 30 20 DBED C#CC1CCN(C(=O)C(=O)NC[C@H](C)CN2CCOCC2)CC1 1326120353 JJPNCRYEJNOVKY-AWEZNQCLSA-N 321.421 -0.057 30 20 DBED CC(C)(O)CONC(=O)NCCN/C(O)=C1/N=CC=CC1=O 1326219677 SEUHUPGUWYWFNL-KHPPLWFESA-N 312.326 -0.486 30 20 DBED C#CCNC(=O)[C@@H](C)OC(=O)CCN/C(O)=C1/N=CC=CC1=O 1329381466 ZJEXRXWQFCHBAY-QMLLPTRZSA-N 319.317 -0.416 30 20 DBED C#CCSCCNC(=O)C(=O)N[C@@H](C)CO[C@H]1CCOC1 1329421433 RUGPHLOYDDRKPR-RYUDHWBXSA-N 314.407 -0.221 30 20 DBED CN1CCC[C@@H](NC(=O)C(=O)NCC#Cc2ccccc2)C1=O 1329870688 FBMDMNXTWRMAES-CQSZACIVSA-N 313.357 -0.109 30 20 DBED N#C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H](n3cncn3)C2)C1 1335542195 BAHLKVWGAXLJRQ-RYUDHWBXSA-N 302.338 -0.186 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CCC(OC)CC2)C1=O 1336355281 IMXZUFBNZFRNQG-ZDUSSCGKSA-N 323.393 -0.131 30 20 DBED C=C(C)CCC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 1337052353 KAFSSZDDHMAMPT-OLZOCXBDSA-N 316.423 -0.043 30 20 DBED C#C[C@@H](NC(=O)C(=O)NC1CCN(C(C)=O)CC1)[C@H]1CCCO1 1344867896 SXUPVPZOZYGDCO-ZIAGYGMSSA-N 321.377 -0.590 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCC[C@H]1CN1CCOCC1 1346543710 NUBQCHODNVHGQZ-AWEZNQCLSA-N 323.393 -0.924 30 20 DBED C=CCn1c(-c2ncnn2C)nnc1N1CCN(C(C)=O)CC1 1352139443 FKLPEJITHVFDMA-UHFFFAOYSA-N 316.369 -0.072 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CCN(c2cc(=O)n(C)c(O)n2)C1 1353141112 BGWVSGLCGKZAKX-LLVKDONJSA-N 304.350 -0.160 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2[C@@H](C)[C@@H](C)NC[C@H]2C)C1=O 1358176517 OYCIFVGHLYMZSB-MXWKQRLJSA-N 322.365 -0.440 30 20 DBED C[C@H](NC(=O)Cn1cc(C#N)c(O)nc1=O)c1ccn(C)n1 1362712905 MTXRFQABZUQELQ-QMMMGPOBSA-N 302.294 -0.569 30 20 DBED Cn1c(N[C@H](CO)c2ccccn2)c(C#N)c(=O)n(C)c1=O 1363164302 ZMFLWXJQJWARKT-LLVKDONJSA-N 301.306 -0.504 30 20 DBED N#Cc1cn(CCNC(=O)[C@@H]2CCCN2C2CC2)c(=O)nc1O 1364110518 ZQWUPBJOBGBEPC-LBPRGKRZSA-N 317.349 -0.436 30 20 DBED CNC(=O)NC(=O)CN1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 1369973817 YNPYVTUPMZETEY-SNVBAGLBSA-N 318.337 -0.854 30 20 DBED C=C(Cl)CN(C)C[C@H](C)NC(=O)C[C@H](NC(C)=O)C(N)=O 1375119069 NUWPSARPBTZMHN-ONGXEEELSA-N 318.805 -0.445 30 20 DBED C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)Cc1nc[nH]n1 1378053532 MFCWNCASAXNGMF-QMMMGPOBSA-N 301.310 -0.518 30 20 DBED COc1nn(C)cc1C(=O)NCC1(NC(=O)[C@H](C)C#N)CC1 1379014739 IIBXDQKIEDNVGE-SECBINFHSA-N 305.338 -0.033 30 20 DBED CC(C)OCC(=O)NC[C@@H](O)CN(C)C(=O)c1cc(C#N)c[nH]1 1382954344 PQVRDTVFCDZKDX-GFCCVEGCSA-N 322.365 -0.140 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(C1)CN(C(=O)[C@H](C)CC(N)=O)C2 1383616771 XRMUNTHKKVPGGJ-MNOVXSKESA-N 306.366 -0.282 30 20 DBED COc1cc(C(=O)NC[C@H](O)CNC(=O)[C@@H](C)C#N)ccn1 1389105250 JWKVZRIADDQIFM-GXSJLCMTSA-N 306.322 -0.543 30 20 DBED CCn1cnc(C(=O)N(C)C[C@@H](O)CNC(=O)[C@H](C)C#N)c1 1396036270 RWCZLNVNOTXRJS-MNOVXSKESA-N 307.354 -0.388 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCN1CCN(Cc2cnn(C)n2)CC1 1400209973 ZXUWVQBJRLEBDL-ZDUSSCGKSA-N 319.413 -0.449 30 20 DBED C=C(Cl)CN1CC(O)(CNC(=O)c2coc(C(N)=O)c2)C1 1402332949 KBTMWRWJQNJXGL-UHFFFAOYSA-N 313.741 -0.093 30 20 DBED CCOC(=O)CC1(NC(=O)[C@@H](C)n2cnc(C#N)n2)COC1 1412760240 QMWZUMRBXYSTDA-SECBINFHSA-N 307.310 -0.451 30 20 DBED C[C@@H]1CC[C@@H](CNC(=O)CCn2cc(C#N)c(O)nc2=O)O1 1417926960 LVIHGTYSOJSICZ-KOLCDFICSA-N 306.322 -0.106 30 20 DBED CC(C)CS(=O)(=O)CC(=O)N1CC(NC(=O)[C@@H](C)C#N)C1 1430289643 KBGKZLYJWWFAPX-JTQLQIEISA-N 315.395 -0.456 30 20 DBED N#Cc1cc(C(=O)N2CC[C@@H]2CNC(=O)Cc2nc[nH]n2)c[nH]1 1433820732 HNHGEATYVNZYDO-LLVKDONJSA-N 313.321 -0.422 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)c2cc(C#N)c[nH]2)C1 1434336874 NJSYNCNKQFUNHY-BONVTDFDSA-N 315.333 -0.261 30 20 DBED COCCN(CCNC(=O)Cn1cccn1)C(=O)[C@H](C)C#N 1444949737 OLSDIOYQSXNGKR-GFCCVEGCSA-N 307.354 -0.366 30 20 DBED C[C@@H](C#N)C(=O)NC1CC2(CC(NC(=O)Cn3cnnn3)C2)C1 1453522816 OOAUYYYJZDWVEW-ICYBPSJXSA-N 317.353 -0.624 30 20 DBED CCOC(=O)[C@H]1CN(C(=O)Cn2cnc(C#N)n2)CC12COC2 1455484453 PRTKEGQXMUISLG-SNVBAGLBSA-N 319.321 -0.812 30 20 DBED COCCN(CCNC(=O)Cc1n[nH]c(C)n1)C(=O)[C@H](C)C#N 1488536013 IIHKENXGMLVMPZ-SNVBAGLBSA-N 322.369 -0.594 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)CCc1cccnc1 1501567357 GXEGGOUENPHQES-AAEUAGOBSA-N 304.350 -0.233 30 20 DBED C#Cc1ccc(C(=O)N2CCN(C(=O)CNC(=O)O)CC2)nc1 1573311765 GMQPJVWHODVIFM-UHFFFAOYSA-N 316.317 -0.385 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](Nc2cnc(-c3nn[nH]n3)cn2)C1 1573570049 IWLIVXNIYVQEQQ-RKDXNWHRSA-N 313.325 -0.171 30 20 DBED C[C@@H](CCNC(=O)[C@H](C)C#N)N=c1cc[nH]c(-c2nn[nH]n2)n1 1573583777 OPXOBFZTRMTIPF-BDAKNGLRSA-N 315.341 -0.455 30 20 DBED C#CCN(C)CCCNC(=O)[C@H]1[C@@H]2CC[C@H](N2)[C@H]1C(=O)OC 1574604003 HJQZJIDINNVGNZ-XDQVBPFNSA-N 307.394 -0.403 30 20 DBED C=CCCC(=O)NC[C@H]1CCN1CC(=O)NCc1cnn[nH]1 1575087942 RBDDFPZHKMUCPE-GFCCVEGCSA-N 306.370 -0.422 30 20 DBED CC#CCCCC(=O)N(C)C[C@H](O)CNCCc1cnn[nH]1 1575118376 WVNAKJJZVTXEMU-CQSZACIVSA-N 307.398 -0.050 30 20 DBED N#CC1(C[C@H](O)CN2CC[C@@H](N3C(=O)O[C@H]4CNC[C@H]43)C2)CC1 1580038332 KORAKAITFUVOBZ-RQJABVFESA-N 320.393 -0.092 30 20 DBED C[C@@H](C(=O)O)N(C1CC1)S(=O)(=O)N1CCO[C@@H](C#N)C1 1588592628 CYQUUEUMAQPIBO-WPRPVWTQSA-N 303.340 -0.607 30 20 DBED C=CCS(=O)(=O)CCNS(=O)(=O)C1(C(=O)O)CCC1 1588879151 TWKOHIAWXRLYBU-UHFFFAOYSA-N 311.381 -0.486 30 20 DBED Cc1cc(-c2nn[nH]n2)cnc1C(=O)N[C@H]1CCCN(O)C1=O 1591879942 WJLNRRWAZJILJB-VIFPVBQESA-N 317.309 -0.320 30 20 DBED N#Cc1ncc(N[C@H](CO)[C@@H]2CCOC2)nc1-c1nn[nH]n1 1592710750 XVUKHBAPDRVAPH-VXNVDRBHSA-N 302.298 -0.662 30 20 DBED O=S(=O)(O[C@H]1CNOC1)c1ccsc1-c1nn[nH]n1 1593447644 ZGVGCIBIMZQZMH-YFKPBYRVSA-N 303.325 -0.463 30 20 DBED Cn1cc(C=NN2C(=O)[C@@H]3[C@H]4C=C[C@@H](O4)[C@@H]3C2=O)cc1C(=O)O 1600945955 OEVKQLSDNDGOPM-KKOKHZNYSA-N 315.285 -0.004 30 20 DBED N#CCN(CC(=O)O)C(=O)c1cn(Cc2ccccn2)nn1 1601071501 PIEBMVCMECHHGQ-UHFFFAOYSA-N 300.278 -0.228 30 20 DBED O=C(O)c1ccc(S(=O)(=O)NCC#CCO)cc1[N+](=O)[O-] 1602399032 IEXYUEZBKPYCNP-UHFFFAOYSA-N 314.275 -0.433 30 20 DBED C[C@](C#N)(CC(=O)O)C(=O)N1CC[C@H](CS(C)(=O)=O)C1 1602778807 NPLLZUZJUZNMLG-JOYOIKCWSA-N 302.352 -0.116 30 20 DBED C=C(CCC(=O)O)C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 1602781874 FDOMDXLICSVKFG-SNVBAGLBSA-N 304.368 -0.052 30 20 DBED C=CCOC[C@@H](NC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)O)O1)C(=O)OC 1602908750 DMJKVWHNHBEXEE-GWOFURMSSA-N 315.322 -0.275 30 20 DBED CN(C)C[C@@]1(O)CCN(c2cnc(-c3nn[nH]n3)c(C#N)n2)C1 1604679677 GNGKJLZGQAOPDC-ZDUSSCGKSA-N 315.341 -0.969 30 20 DBED C[C@@H](CN1CCN(C)CC1)NC(=O)N1CC[C@](O)(CC#N)C1 1645861585 IWYNTQUEVHADQF-DZGCQCFKSA-N 309.414 -0.318 30 20 DBED Cn1nnc2c1C[C@@H](C(=O)OCCn1ncc(C#N)c1N)CC2 1646834911 ZCOFUJHUPMSRIK-VIFPVBQESA-N 315.337 -0.186 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCN(CC(=O)NCC(C)C)C1 1732154002 PGWZQGPTLNOBEG-CQSZACIVSA-N 309.410 -0.011 30 20 DBED C[C@H]1COCC[C@@H]1C(=O)NCCCN(C)CC(=O)NCC#N 1752058933 TUEDJYCZLLOZTM-STQMWFEESA-N 310.398 -0.263 30 20 DBED C=CCNC[C@H]1CCCN(C(=O)CCNS(C)(=O)=O)C1 1752799006 KKQDYPMTVQZJDV-GFCCVEGCSA-N 303.428 -0.060 30 20 DBED C#CCNC(=O)CNC[C@H]1CCCN(C(=O)c2ncccn2)C1 1752808462 BQYHTODOJUSOGW-CYBMUJFWSA-N 315.377 -0.332 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@H]1CCCN(C(=O)CCN(C)C)C1 1752995924 FEJAUOAMEJIGKP-CABCVRRESA-N 322.453 -0.001 30 20 DBED C#CCN1CCC(C(=O)N[C@H](CNCC(N)=O)CC(C)C)CC1 1753743282 JSDIIXPJWYUFHK-HNNXBMFYSA-N 322.453 -0.063 30 20 DBED COCC#CCNCC[C@H](C)NC(=O)CC[C@H]1NC(=O)NC1=O 1754021230 KYQVLZXCFZDHAM-NWDGAFQWSA-N 324.381 -0.891 30 20 DBED CCN(CCNCC#N)C(=O)c1ccc(S(N)(=O)=O)o1 1754055242 ILZGCAKWKLWLFC-UHFFFAOYSA-N 300.340 -0.498 30 20 DBED C#CCNC(=O)[C@@H](C)NCCN(CC)C(=O)[C@H]1CCN(C)C1=O 1754063034 YYKYBOTZOHNCIL-OLZOCXBDSA-N 322.409 -0.959 30 20 DBED C#CCNC(=O)CNC[C@@H]1CCCN1C(=O)[C@]1(F)CCOC1 1754616221 TWFBWKBABCHUIQ-WFASDCNBSA-N 311.357 -0.555 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC[C@](C)(CNCc2nnn(C)n2)C1 1754692141 HVJLAWMILGPAOV-HUUCEWRRSA-N 322.413 -0.135 30 20 DBED CC#CCN1CC[C@@](O)(CNC(=O)C(=O)N2CCC(C)CC2)C1 1754761048 YKGPMRZFAKMHIJ-QGZVFWFLSA-N 321.421 -0.179 30 20 DBED CC#CCN1CC(O)(CNC(=O)C[C@H]2CCOC[C@@H]2OC)C1 1754768345 JVZIIJWXTBCTGN-KGLIPLIRSA-N 310.394 -0.386 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)Cc2cc[nH]n2)C[C@@H]1C 1755168965 IZRVJDMFERZHIG-STQMWFEESA-N 317.393 -0.329 30 20 DBED C=CCNC[C@@H](O)CN(C)C(=O)c1ccc(-n2cnnn2)cc1 1755797272 YHFFQQXUZOOVIJ-CQSZACIVSA-N 316.365 -0.129 30 20 DBED C#CCOCCC(=O)NCC1=CCN(Cc2nnnn2C)CC1 1755886506 KGDHNMXGZCMDCD-UHFFFAOYSA-N 318.381 -0.502 30 20 DBED C#CCCCC(=O)N[C@@H](C)C1CN(C(=O)CCNC(N)=O)C1 1756140656 OFCHRKUWAVCUHT-NSHDSACASA-N 308.382 -0.189 30 20 DBED C[C@H](C#N)C(=O)N[C@H](C)C1CN(C(=O)CCCCNC(N)=O)C1 1756155765 CWZUSMYWBUOQAE-GHMZBOCLSA-N 323.397 -0.052 30 20 DBED Cn1ncc(C(=O)NC[C@H](CO)NC(=O)C#CC(C)(C)C)c1N 1756513519 JFPAZOIBFJKXDG-SNVBAGLBSA-N 321.381 -0.741 30 20 DBED CCOCCC(=O)NC[C@@H](O)CN(C)C(=O)c1cc(C#N)c[nH]1 1756658224 PYLYYMJUTHCGNK-GFCCVEGCSA-N 322.365 -0.138 30 20 DBED CCc1cc(C(=O)N[C@@H]2CN(C(=O)C#CC(C)C)C[C@H]2O)n[nH]1 1756980528 SWSLXBFSSAVEPB-ZIAGYGMSSA-N 318.377 -0.067 30 20 DBED Cc1nocc1C(=O)N1C[C@H](O)[C@H](NC(=O)CSCC#N)C1 1757155706 NMDUPIDWKOUFQQ-MNOVXSKESA-N 324.362 -0.459 30 20 DBED CC(=O)NC(C)(C)C(=O)N1C[C@H](O)[C@H](NC(=O)C#CC2CC2)C1 1757171834 JVVHSHWAGTXBBT-OLZOCXBDSA-N 321.377 -0.998 30 20 DBED CC(C)C#CC(=O)N(C)C[C@H]1CCN1C(=O)[C@H]1COC(=O)N1 1757286601 UYMPMSCDWHZGAJ-VXGBXAGGSA-N 307.350 -0.187 30 20 DBED CC(=O)NCC(=O)N1CC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1783140140 WWOSQAQIDBKXRN-OAHLLOKOSA-N 322.365 -0.744 30 20 DBED C[C@@H](S)C(=O)N1CCCC12CN(C(=O)c1ncnn1C)C2 1846367375 PTTYLCSSJFQCED-SECBINFHSA-N 309.395 -0.050 30 20 DBED CS(=O)(=O)NCCNS(=O)(=O)c1ccc(CC#N)cc1 92131181 JAWADMNDOJLWOY-UHFFFAOYSA-N 317.392 -0.420 30 20 DBED CN1CCN(c2ncc(CN3CCO[C@H](C#N)C3)cn2)CC1 93135751 XEBTUFSAJMJLGW-CQSZACIVSA-N 302.382 -0.047 30 20 DBED N#C[C@@H]1CN(C(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)CCO1 264451455 CUIPRXBPJHWAML-APLVYKGISA-N 315.329 -0.456 30 20 DBED C#CCCN1CCN(C(=O)CCC(=O)NCCNC(C)=O)CC1 264719329 FSHIKHCKDUFVMM-UHFFFAOYSA-N 322.409 -0.814 30 20 DBED CNC(=O)NCC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 270548421 ZLNJDMUQTCJSEU-JTQLQIEISA-N 317.353 -0.686 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N1CCO[C@@H](COC)C1 272909543 DCHFIKOAPWYQRE-LLVKDONJSA-N 306.384 -0.356 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)NCc1ccc(C(N)=O)o1 281861591 ZRMZFPFZKKAPGI-QMMMGPOBSA-N 300.340 -0.196 30 20 DBED C=CCCOCCNC(=O)C(=O)N(CCO)CCCOC 289387018 LFPWBVGUEQSPPE-UHFFFAOYSA-N 302.371 -0.447 30 20 DBED Cc1noc(C)c1S(=O)(=O)NCC(=O)NCCCC#N 290701536 LRIHRJNRIWZUJX-UHFFFAOYSA-N 300.340 -0.010 30 20 DBED C=C[C@H](CO)NC(=O)NCc1ccc(S(N)(=O)=O)c(C)c1 291612424 RGEATAJUWMTTCI-LLVKDONJSA-N 313.379 -0.011 30 20 DBED CN1CC[C@H](N(C)/C(O)=N/CC2(N3CCOCC3)CC2)C1=O 329389427 RUVSFIGPUMIWHZ-LBPRGKRZSA-N 310.398 -0.072 30 20 DBED CCNC(=O)[C@H](C)/N=C(/O)N[C@H](CC)C(=O)N1CCOCC1 331171020 FSHPGAWWIGHTKJ-WDEREUQCSA-N 314.386 -0.348 30 20 DBED CC(C)N1C[C@H](/N=C(/O)N(C[C@H](C)O)[C@@H](C)CO)CC1=O 331299112 VGBLYSDVIXKBLF-SDDRHHMPSA-N 301.387 -0.027 30 20 DBED C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(CC(=O)NCC#CCO)C2=O 331671516 PXKRKFUEWZCYEM-VXGBXAGGSA-N 321.377 -0.155 30 20 DBED C[C@H](C(=O)N(C)CCC#N)N1CCC[C@@]2(C1)NC(=O)NC2=O 331684226 RRZXKXJNNSNEOA-YGRLFVJLSA-N 307.354 -0.579 30 20 DBED CC(C)[C@H]1CN(S(=O)(=O)N2CCO[C@H](C#N)C2)CCN1C 337195637 WBWKDOHRXXIFMM-CHWSQXEVSA-N 316.427 -0.272 30 20 DBED CN(CCC#N)S(=O)(=O)N[C@H](C1CC1)[C@@]1(CO)CCCO1 339145955 YWCUZPBROGUCAZ-OLZOCXBDSA-N 317.411 -0.014 30 20 DBED CCNS(=O)(=O)[C@@H]1CCN(CC(=O)NC2(C#N)CCC2)C1 347016531 WVVROHSYTFYSFH-LLVKDONJSA-N 314.411 -0.438 30 20 DBED C=C[C@@H](CO)NC(=O)C(=O)Nc1cccnc1-n1cccn1 354672749 QSPNLQINYZVWEE-JTQLQIEISA-N 301.306 -0.131 30 20 DBED C=CCN(C[C@@](C)(O)C(=O)OCC)[C@@H]1CCS(=O)(=O)C1 355073438 GQDYZFLSLRVFAY-DGCLKSJQSA-N 305.396 -0.024 30 20 DBED C[C@@H](CN)CNC(=O)C(=O)NCCOc1ccc(C#N)cc1 419458914 CIRQNERJAIKZII-NSHDSACASA-N 304.350 -0.236 30 20 DBED C#C[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1)C(C)C 490627299 BLSHIECEVDNUOX-ZYHUDNBSSA-N 312.395 -0.139 30 20 DBED N#Cc1ncn(CC(=O)N2CCN(CCN3CCCC3)CC2)n1 533182653 MWWZRRPDLDCCPW-UHFFFAOYSA-N 317.397 -0.610 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C(=O)CC)C2)C1=O 583990482 GMAWGTZVOGFJBP-UHFFFAOYSA-N 322.321 -0.999 30 20 DBED N#CC1(CNC(=O)CNC(=O)c2ccc3c(c2)COB3O)CC1 584975587 GJRVTEFYWCQKAE-UHFFFAOYSA-N 313.122 -0.946 30 20 DBED N#Cc1ccc(S(=O)(=O)CCN2C[C@@H]3CNC[C@H]3C2)nc1 588957141 IHNBEFYSPMQRNL-STQMWFEESA-N 306.391 -0.122 30 20 DBED N#CCNC(=O)CNC[C@]1(O)CCN(Cc2ccccc2)C1 601964222 IGWZENAZQKVANX-MRXNPFEDSA-N 302.378 -0.147 30 20 DBED C=C[C@@H](O)C(=O)N1CCN(S(=O)(=O)CCOC(C)C)CC1 611844395 JFQQETFCOXBJGQ-GFCCVEGCSA-N 320.411 -0.568 30 20 DBED C=C[C@H](CO)NCC(=O)c1c(O)nc(=O)n(CC(C)C)c1N 662168117 URIKUOSUYDKIKI-SECBINFHSA-N 310.354 -0.494 30 20 DBED C=C[C@@](C)(O)C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 666624601 MKXIQTWOYRCKRX-OAHLLOKOSA-N 309.366 -0.783 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)C(=O)NC2CC2)C1=O 726042627 LSDUOENQKLKCSG-QMMMGPOBSA-N 323.305 -0.827 30 20 DBED C#CCOCCNC(=O)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 753386053 ZUFKINAEKHZBGD-HNNXBMFYSA-N 322.365 -0.344 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C 770111840 FZTOWRBMQWLFMV-UWVGGRQHSA-N 318.395 -0.369 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(C)(C)NS(C)(=O)=O 783616091 AAWQEFAEDVHUHQ-UHFFFAOYSA-N 312.413 -0.969 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(CN(C)C[C@@H](C)OC)c1=O 795752610 UPJYDKFZWWRQRT-GFCCVEGCSA-N 324.381 -0.532 30 20 DBED C#CCC[C@@H](O)CNC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O 799077341 DTTBWBCNXBONTG-ABAIWWIYSA-N 307.350 -0.403 30 20 DBED CCS(=O)(=O)CCN(C)S(=O)(=O)N(C)[C@@H](C)CC#N 800925951 JQGKAWQNGLFFEB-JTQLQIEISA-N 311.429 -0.168 30 20 DBED CC(=NNC(=S)NCC(N)=O)c1cnnn1-c1ccccc1 807971966 FQCOJYHXAOUGHI-UHFFFAOYSA-N 317.378 -0.059 30 20 DBED C=C[C@@H](O)C(=O)OCC(=O)Nc1c(C(=O)OCC)cnn1C 814541381 OLXPNIPPJQHHQL-SECBINFHSA-N 311.294 -0.375 30 20 DBED COc1cccc(C(=O)NCC(=O)N[C@H]2CCCN(O)C2=O)c1 816752431 CQTJNJRZDFSAEU-LBPRGKRZSA-N 321.333 -0.079 30 20 DBED C#CC[C@@H](NC(=O)[C@H]1CC(c2cn(C)nc2C)=NO1)C(=O)OC 822415014 CAXOJAWMHBMWKR-DGCLKSJQSA-N 318.333 -0.097 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CC[C@H](C)[C@@H](CN)C1)[C@@H]1CCCO1 842164322 USRGABDZLRWROM-XUXIUFHCSA-N 307.394 -0.273 30 20 DBED N#Cc1ccc(NCCS(=O)(=O)N2CCOCC2)nc1N 848659693 PSVZTRNZAUUXHZ-UHFFFAOYSA-N 311.367 -0.391 30 20 DBED CON(C)S(=O)(=O)CCCS(=O)(=O)N(C)[C@@H](C)C#N 848957721 URBZGDVDVLGRQI-VIFPVBQESA-N 313.401 -0.627 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 860040638 ODJRJAQLIHSICY-QWRGUYRKSA-N 316.379 -0.661 30 20 DBED C=CCOC[C@H](NC(=O)/C=C\CN1CCOCC1)C(=O)OC 867968968 JETQGWNPNKLWNJ-ZFDPJTLLSA-N 312.366 -0.265 30 20 DBED C#CCNS(=O)(=O)N1CCN(c2nc(C)ns2)CC1 872633794 MZXRMJHQQSNMBR-UHFFFAOYSA-N 301.397 -0.564 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCN(CCC#N)CC1)[C@@H]1CCCO1 875324160 KFXLDHWREPYSBV-KBPBESRZSA-N 318.377 -0.659 30 20 DBED N#C[C@@H]1CNC[C@@H]1NC(=O)[C@H]1CNC(=O)C[C@H]1C(F)(F)F 876803228 VOWRKNQGHMVTJF-XAVMHZPKSA-N 304.272 -0.471 30 20 DBED CN1C(=O)COc2ccc(C(=O)N[C@H]3CNC[C@H]3C#N)cc21 876803860 YERXIJKTDARFMF-MNOVXSKESA-N 300.318 -0.117 30 20 DBED C#C[C@H](NC(=O)[C@]1(OC)CCS(=O)(=O)C1)[C@@H]1CCCO1 890028441 MMVXMRFUIVIFNK-GVXVVHGQSA-N 301.364 -0.513 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@H]2[C@H]3C(=O)CC[C@H]32)CC1 906553835 BEIPEDOKNAOPOF-KCPJHIHWSA-N 303.362 -0.895 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)/C=C(/C)Cl)CC1 913788854 PESFJMUSFMKWQN-KTKRTIGZSA-N 305.787 -0.259 30 20 DBED C#CCN1CCC[C@@H](NC(=O)[C@@](C)(O)Cn2ccccc2=O)C1 923561160 STPAUBXZSUGKMO-PBHICJAKSA-N 317.389 -0.187 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2cnn(C)n2)C1 936113837 MAORJUCXNKYKIF-WZRBSPASSA-N 319.365 -0.263 30 20 DBED Cn1nc(C(=O)N[C@H]2CCN(C(=O)C#CC3CC3)C2)ccc1=O 938877718 OAJIJQGSDJOCGS-LBPRGKRZSA-N 314.345 -0.476 30 20 DBED C[C@H](C#N)C(=O)N1CCCN(C(=O)[C@H]2CN(C)C(=O)N2)CC1 941834884 RQYIDIVPUBOPRW-GHMZBOCLSA-N 307.354 -0.769 30 20 DBED C#CCCN1CC[C@H](NC(=O)CN2CCOCC2=O)[C@@H](C)C1 942128877 HTFASSRJJCMDEW-KBPBESRZSA-N 307.394 -0.305 30 20 DBED C[C@@H]1CN(CC#N)CC[C@H]1NC(=O)CN1C(=O)CN(C)C1=O 944790301 PHYLVFRAGWDYHT-GHMZBOCLSA-N 307.354 -0.769 30 20 DBED O=C(Cn1cncn1)N[C@H]1CCCN(C(=O)C#CC2CC2)C1 950764499 PWAIXJURQVBQFP-ZDUSSCGKSA-N 301.350 -0.201 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1cnon1 952174583 OEYYJJVPEMYQPF-FOGDFJRCSA-N 306.322 -0.009 30 20 DBED C=CCCn1cc(C(=O)N(CC)C2CN([C@@H](C)C(N)=O)C2)nn1 952429836 ZJVNZYJBVWPJGV-NSHDSACASA-N 320.397 -0.126 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2ccc(C(N)=O)s2)C1 958476233 HJDCXVYLAKXVAC-VHSXEESVSA-N 307.375 -0.497 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCCN2C)C1 958924637 SWMYCCUXTKOYKW-RFGFWPKPSA-N 322.409 -0.340 30 20 DBED C=C(C)CCN1C[C@@H]2C(NC(=O)Cn3ncn(C)c3=O)[C@H]2C1 960650279 SHYYZXZLLUZKIQ-RYUDHWBXSA-N 305.382 -0.406 30 20 DBED Cc1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)n(C)n1 961775664 RDNQKMVUAWHROR-XRNSZHNASA-N 305.338 -0.810 30 20 DBED C#CCCN1C[C@H]2[C@H](NC(=O)[C@H]3CCCS(=O)(=O)C3)[C@H]2C1 961907585 BYCIIGDRSRNNRL-IGQOVBAYSA-N 310.419 -0.119 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2[C@@H]3CN([C@H](CC)C(N)=O)C[C@@H]32)cn1 962327687 VJZOWQSSDPKLKJ-BARDWOONSA-N 312.373 -0.013 30 20 DBED C#CCNC1CC2(C1)CC(NC(=O)CN1CCN(C)C(=O)C1)C2 964088695 GMMGMXRDHGNGDF-UHFFFAOYSA-N 318.421 -0.589 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCCN(C(=O)C(N)=O)CC1 964933373 AQUFNMMUDKXOMN-AVGNSLFASA-N 323.393 -0.050 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC2(CN(C(=O)C#CC3CC3)C2)C1 965475354 VWZWKKCSFWMDFF-LBPRGKRZSA-N 301.346 -0.001 30 20 DBED CC#CCN1CC[C@H](C)[C@@H](NC(=O)c2nnc(O)nc2O)C1 967251798 BOFMVFANUOFMJL-UWVGGRQHSA-N 305.338 -0.254 30 20 DBED N#Cc1cc(C(=O)N2CC[C@@H](N[C@H]3CCCNC3=O)C2)c[nH]1 968447737 NBENYFWNTGDWKU-YPMHNXCESA-N 301.350 -0.031 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(CC(N)=O)CC[C@H]2C)cn1 968562724 VWPHZJCYOPXLDW-BXUZGUMPSA-N 300.362 -0.012 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)C(F)F)C[C@@H]2O)nc1 969349114 WZPZPNMTEQOSKW-MNOVXSKESA-N 309.272 -0.371 30 20 DBED CN(CC#N)[C@@H]1CCN(C(=O)[C@@H]2CCc3nnn(C)c3C2)C1 972178383 AAEBPXDDBLOTHE-VXGBXAGGSA-N 302.382 -0.024 30 20 DBED C#CCN1C[C@@H]2C(CNC(=O)[C@H]3CCCCN3C(N)=O)[C@H]2C1 978954246 WCMQKFPRALSHEX-MGPQQGTHSA-N 304.394 -0.153 30 20 DBED C[C@@H]1C[C@H](CNCc2nc(=O)n(C)[nH]2)CN1C(=O)C#CC1CC1 980575633 QUKFZFFVEYETGD-DGCLKSJQSA-N 317.393 -0.152 30 20 DBED C[C@H]1CC2(CCN(C(=O)[C@H](C)C#N)CC2)CN1C(=O)C(N)=O 982264501 YKRDXYFHIXMCPH-MNOVXSKESA-N 306.366 -0.139 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CCC[C@@H](NC(=O)C(N)=O)C2)cn1 983670876 CHYZHTFXOJWCFP-CHWSQXEVSA-N 314.345 -0.295 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(N(C)[C@@H]2CCC(=O)NC2=O)CC1 985338670 LNMIZSDYZIQZKX-CMPLNLGQSA-N 306.366 -0.126 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C(=O)N2CCN(CC#N)CC2)CC1 985825775 QHAHKMCZSNWOLT-ZDUSSCGKSA-N 318.381 -0.449 30 20 DBED C[C@H](C(=O)N1C[C@H](NCC#N)C(C)(C)C1)N1C(=O)CCC1=O 995870500 CPAMPYCNTOIRSD-MNOVXSKESA-N 306.366 -0.126 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)[C@H]3COCCO3)C2)nc1 997082050 KDGDMTNYJBFUIW-CQSZACIVSA-N 315.329 -0.581 30 20 DBED C[C@@H](NC(=O)c1nccnc1C(N)=O)C1CCN(CC#N)CC1 997417429 JUMIYANOPCGUAP-SNVBAGLBSA-N 316.365 -0.071 30 20 DBED N#CCN1CC[C@H](n2cc(CNC(=O)[C@@]34COC[C@@H]3C4)nn2)C1 999992784 QGEQEBGGWSOCQA-WHOFXGATSA-N 316.365 -0.299 30 20 DBED CC#CCN1CC[C@@H](n2cc(CNC(=O)c3cnon3)nn2)C1 1000034871 JHRMMSIFLQMBSO-GFCCVEGCSA-N 315.337 -0.139 30 20 DBED C[C@@H](C#N)C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cnnn1C 1002340724 XHPSAYCPWXUCGO-ZDCRXTMVSA-N 302.338 -0.164 30 20 DBED CC#CCN1CCC(NC(=O)Cn2ccc(O)nc2=O)CC1 1003260027 XCCRDSATXDCVPT-UHFFFAOYSA-N 304.350 -0.447 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CCN(CC(=O)NC3CC3)C2)c1 1010455788 BMIHCKKBLMXPGE-GFCCVEGCSA-N 301.350 -0.031 30 20 DBED Cn1nnc(C(=O)N2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)n1 1010925538 SRUGYBMETAMDRI-UHFFFAOYSA-N 314.309 -0.992 30 20 DBED C#CCN1CCC(C(=O)N[C@@H]2CCN(CC(=O)N(C)C)C2)CC1 1016335097 AKYQNOCPJJUMAR-OAHLLOKOSA-N 320.437 -0.390 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(CN(C(=O)CN3CCOCC3)C2)C1 1018954170 VNTJHXWLPLYGLP-ZDUSSCGKSA-N 320.393 -0.461 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(CN(C(=O)C[C@@H]3CCNC3=O)C2)C1 1019088495 RHDIJANJWGVURW-RYUDHWBXSA-N 318.377 -0.267 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H]2C[C@H](N[C@@H]3CCC(=O)NC3=O)C2)c1 1020058444 ILFCXDCVKKFXQV-GMTAPVOTSA-N 315.333 -0.458 30 20 DBED Cn1cc(C(=O)NC2C[C@@H]3CC[C@H](C2)N3CC#N)n(C)c1=O 1021469572 DYRXZQWNQGNZQT-YOGCLGLASA-N 303.366 -0.027 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CCN(C(=O)CCn3cnnn3)[C@@H]2C1 1022512215 FURCVQSBADDKNC-GRYCIOLGSA-N 317.353 -0.718 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnn(C)c2N)C1 1023482261 APEVILWGNJBGII-GHMZBOCLSA-N 321.381 -0.484 30 20 DBED C=CCN[C@@H]1CC[C@@H]2CN(C(=O)Cn3cnc(C(N)=O)n3)C[C@H]21 1026268492 BJRXZSCISDRSQG-IJLUTSLNSA-N 318.381 -0.610 30 20 DBED N#Cc1c[nH]c(C(=O)NC2CN(C[C@@H]3CCS(=O)(=O)C3)C2)c1 1030193751 BKUNWZWCGICAAR-JTQLQIEISA-N 322.390 -0.265 30 20 DBED C=CCCN1CC(NC(=O)CN2CCCCS2(=O)=O)C1 1030685042 FOYLTQZVBGGMAV-UHFFFAOYSA-N 301.412 -0.212 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCC1CN([C@H]2CCN(C)C2=O)C1 1031742374 CPYGSVLTULAFAE-GJZGRUSLSA-N 318.421 -0.637 30 20 DBED C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cn(CC(N)=O)nn1 1032802857 QIWRGDMFMBSNDN-RYUDHWBXSA-N 318.381 -0.372 30 20 DBED CCCCN1CCOC[C@H]1C(=O)NC[C@@H]1CN(CC#N)CCO1 1035456743 ARJPJROMMYONQM-CABCVRRESA-N 324.425 -0.172 30 20 DBED Cc1nn(C)c(=O)c(C(=O)NC[C@H]2CN(CC#N)CCO2)c1C 1035468328 ZJTTYLUUDURMTM-LBPRGKRZSA-N 319.365 -0.649 30 20 DBED C#CCN1CCC(C(=O)NC[C@@H]2CN(CCO)CCO2)CC1 1035614538 PYXAAZQAXGQYKT-OAHLLOKOSA-N 309.410 -0.859 30 20 DBED C#CCN[C@H]1CCN(C(=O)CN2CCC(=O)NC2=O)C[C@H]1C 1036268776 YWTMWRBVSHFWDQ-NEPJUHHUSA-N 306.366 -0.612 30 20 DBED CC#CCN1CC[C@@H]2CN(C(=O)Cn3c(O)nnc3O)CC[C@H]21 1036880026 XVZKBJNTCMHDNK-VXGBXAGGSA-N 319.365 -0.365 30 20 DBED Cc1nnc(CC(=O)NC[C@]2(O)CCN(C(=O)[C@@H](C)C#N)C2)o1 1039616519 SBJYAUGZDQXZAR-LKFCYVNXSA-N 321.337 -0.840 30 20 DBED C#CCN1CCC[C@@]2(CCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C2)C1 1040424708 MQMBVJWURLUIEG-BLLLJJGKSA-N 318.377 -0.468 30 20 DBED O=C(C#CC1CC1)N1CC[C@@](O)(CNC(=O)[C@]2(F)CCOC2)C1 1040649784 BEGHNNGLCMFFTP-CVEARBPZSA-N 324.352 -0.392 30 20 DBED C[C@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)c2ccsn2)C1 1040767558 ZABNEEWPALMAKB-RNCFNFMXSA-N 308.363 -0.004 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)c3cnns3)C2)nn1 1040942679 HBINNNUDRITTRJ-RKDXNWHRSA-N 317.334 -0.821 30 20 DBED N#Cc1cnc(N2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CCOC3)C2)cn1 1040961961 QNRAVYHLVLIIDE-CYZMBNFOSA-N 317.349 -0.559 30 20 DBED C=CCn1cc(C(=O)N2CC(O)(CNC(=O)C=C(C)C)C2)nn1 1041321811 OSGINSZOUJPOMU-UHFFFAOYSA-N 319.365 -0.267 30 20 DBED C#CCN1CC[C@]2(CCN(C(=O)CN3CC(=O)NC3=O)C2)C1 1041743843 PETWTYXADRJYIA-HNNXBMFYSA-N 304.350 -0.904 30 20 DBED N#CCN1CC[C@H]2CCN(C(=O)c3nccnc3C(N)=O)C[C@H]21 1042349706 SERUPMHNVRZNBZ-WDEREUQCSA-N 314.349 -0.365 30 20 DBED CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)c2cc(C#N)c[nH]2)C1 1042401503 NSANDAOURNULSR-SNVBAGLBSA-N 320.349 -0.386 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(O)CN(C(=O)c2cnco2)C1 1042813432 XJNOWVPCFISOFD-ZDUSSCGKSA-N 309.322 -0.695 30 20 DBED C[C@H]1CO[C@H](C(=O)N2CC(O)(CNC(=O)C#CC3CC3)C2)C1 1042958279 IGQWWYQHLCWCAQ-YPMHNXCESA-N 306.362 -0.486 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)c2ccn(C)n2)C1 1043117874 AVAFYNVWNNITPR-UHFFFAOYSA-N 304.350 -0.617 30 20 DBED C=C(C)CCC(=O)NCC1(O)CN(C(=O)[C@H](COC)OC)C1 1043314920 KFGNBFHJUGHHAW-LBPRGKRZSA-N 314.382 -0.306 30 20 DBED C[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1Nc1cncc(C#N)n1 1043447630 KOLYSTKBZLPLJT-PSASIEDQSA-N 313.325 -0.556 30 20 DBED C=CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2ncoc2C)C1 1043570442 IMAGCWMFUBJPIP-NSHDSACASA-N 323.349 -0.123 30 20 DBED C=C1CCC(C(=O)NCC2(O)CN(C(=O)CNC(N)=O)C2)CC1 1045768589 JROCNNISSLAZIF-UHFFFAOYSA-N 324.381 -0.909 30 20 DBED C=C(C)CCC(=O)N1CC(O)(CNC(=O)Cc2cnc[nH]2)C1 1047176827 IOJLVTBWEXUTAZ-UHFFFAOYSA-N 306.366 -0.002 30 20 DBED C=C(C)CN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 1047526910 VJUDIMOGGPOPMD-ZDEQEGDKSA-N 311.382 -0.901 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCCN2C(N)=O)C1 1047592353 LGYFDLLQGQGWHG-AGIUHOORSA-N 308.382 -0.944 30 20 DBED C[C@H](C(=O)N(C)[C@H]1CN(CC#N)C[C@@H]1O)N1CCCCC1=O 1047638712 FHRXRPQLSJZIEY-AGIUHOORSA-N 308.382 -0.586 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)CC2CCOCC2)C[C@@H]1O 1049389273 WEWGNWVNDNWRNO-XBFCOCLRSA-N 323.393 -0.007 30 20 DBED Cc1c[nH]nc1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)C#N)C1 1049393543 BPNVVAOAYZCPRW-LSJOCFKGSA-N 305.338 -0.479 30 20 DBED C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC(=O)N2)CCN1c1cncc(C#N)n1 1050474054 CBQRFTRFYIJQTL-USWWRNFRSA-N 314.349 -0.290 30 20 DBED N#Cc1nccnc1N1CC[C@H](NC(=O)c2cocn2)[C@@H](O)C1 1051637319 HPCBUUNBNMAJQS-CABZTGNLSA-N 314.305 -0.294 30 20 DBED C#CCN1CCN([C@@H]2CCN(C(=O)[C@@]3(C)CNC(=O)C3)C2)CC1 1052056544 FLPWZBBVOPLYRC-RHSMWYFYSA-N 318.421 -0.636 30 20 DBED C=C(C)CN1CC2(C1)CN(C(=O)[C@@H]1CC[C@@H]1C(N)=O)CCO2 1053373053 LNNMAIJKBBONLM-QWHCGFSZSA-N 307.394 -0.013 30 20 DBED C#CCN1CC2(C1)CN(C(=O)c1ccc(=O)n(CC)n1)CCO2 1053474721 OVWCTHQYZBXVRD-UHFFFAOYSA-N 316.361 -0.577 30 20 DBED C#CCN1CC2(C1)CN(C(=O)[C@@H](CC)N1CCCC1=O)CCO2 1053536235 MDWKDJOTUPNSFB-CQSZACIVSA-N 319.405 -0.066 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)c3cn4cccnc4n3)CO2)C1 1053854923 AIZSSESJSOZZRT-NSHDSACASA-N 312.333 -0.174 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)c3cn(C)ccc3=O)CO2)C1 1053867912 WTXCZAGYUGPCBO-LBPRGKRZSA-N 301.346 -0.408 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)[C@@]3(C)CCC(=O)NC3)CO2)C1 1053903077 LXILSZZVNWNDJB-CJNGLKHVSA-N 319.405 -0.115 30 20 DBED C=C[C@@](C)(O)CC(=O)N1C[C@H]2CN(C(=O)c3cnn[nH]3)C[C@H]2C1 1055305734 QVOFXAVQZWMWTF-JRPNMDOOSA-N 319.365 -0.338 30 20 DBED Cc1nn[nH]c1C(=O)N1CCC[C@@](CO)(NC(=O)[C@H](C)C#N)C1 1056096245 GUUNXDAKEXIXPJ-YMTOWFKASA-N 320.353 -0.644 30 20 DBED N#Cc1cnccc1N1C[C@@H]2C(NC(=O)Cn3cnnn3)[C@H]2C1 1056127860 FHMDOPPDUDJGMS-QWRGUYRKSA-N 310.321 -0.809 30 20 DBED N#Cc1cncc(N2C[C@H]3[C@H](NC(=O)[C@H]4COC(=O)N4)[C@H]3C2)n1 1056195483 URADZPMIDDVUDR-KLBPJQLPSA-N 314.305 -0.993 30 20 DBED Cn1nnc(C(=O)NC2[C@H]3CN(c4ncccc4C#N)C[C@H]23)n1 1056371682 ADDRXHAEOVMVQQ-UWVGGRQHSA-N 310.321 -0.659 30 20 DBED N#Cc1cccnc1N1C[C@@H]2C(NC(=O)[C@H]3C[C@H]3C(N)=O)[C@H]2C1 1056407818 ZKRQOZJWJWFCFV-RHYQMDGZSA-N 311.345 -0.375 30 20 DBED N#Cc1cnc(N[C@@H]2CCN(C(=O)[C@H]3CNC(=O)N3)C2)cn1 1056764349 RJBLWAAUPUICSX-PSASIEDQSA-N 301.310 -0.958 30 20 DBED N#Cc1ccc(N[C@@H]2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)nn1 1056779628 PNXVFSSTSNVBCU-MXWKQRLJSA-N 300.322 -0.518 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)c1cc(C(N)=O)c[nH]1 1057168807 SGFZSMPQAQBTKR-UHFFFAOYSA-N 322.365 -0.370 30 20 DBED N#Cc1ccc(C(=O)N(CCO)CCNC(=O)c2cnco2)[nH]1 1057370776 SZTJJEKXMRYLIH-UHFFFAOYSA-N 317.305 -0.261 30 20 DBED Cc1cc(C(=O)NCCN(CCO)C(=O)C#CC(C)C)ncn1 1057516928 CXTDSBNNVMPVBE-UHFFFAOYSA-N 318.377 -0.005 30 20 DBED C=C(C)CCC(=O)N(CCO)CCNC(=O)[C@H]1COC(=O)N1 1057804755 SOSVSECHDLDPDB-LLVKDONJSA-N 313.354 -0.612 30 20 DBED C=CCO[C@H](C)C(=O)N(CCO)CCNC(=O)c1cnn(C)c1 1057921465 IIOCVMYYFFHCBA-GFCCVEGCSA-N 324.381 -0.438 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC2(CCN(C(=O)CC(N)=O)CC2)C1 1060989658 OLRNVACLEWTWKN-OAHLLOKOSA-N 323.393 -0.360 30 20 DBED C=CCOCC(=O)N1CCOC[C@H]1CNC(=O)CC(C)(C)O 1061546416 QFTIRBZQUDRSEP-GFCCVEGCSA-N 314.382 -0.306 30 20 DBED Cn1nncc1C(=O)N1CCOC[C@@H]1CNC(=O)C#CC1CC1 1061570164 VBRNUVJDUNWWMS-LBPRGKRZSA-N 317.349 -0.814 30 20 DBED N#CCSCC(=O)N1CCOC[C@@H]1CNC(=O)c1cnco1 1061730187 OMLGUAJICPXRBY-JTQLQIEISA-N 324.362 -0.111 30 20 DBED O=C(Cc1nc[nH]n1)NC[C@@H]1COCCN1C(=O)C#CC1CC1 1061919002 DBSVUNVKGJDJPT-GFCCVEGCSA-N 317.349 -0.896 30 20 DBED C=CCCC(=O)N1CCOC[C@@H]1CNC(=O)Cc1nc[nH]n1 1061919975 UEDUIOVWUADCCL-NSHDSACASA-N 307.354 -0.343 30 20 DBED N#Cc1cnc(NC[C@H]2CCCN2C(=O)[C@H]2CCNC2=O)cn1 1063539100 NCGNYZMXMCJKNO-NEPJUHHUSA-N 314.349 -0.113 30 20 DBED N#Cc1cnc(NC[C@@H]2CCCN2C(=O)[C@@H]2CCNC2=O)cn1 1064984015 NCGNYZMXMCJKNO-NWDGAFQWSA-N 314.349 -0.113 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)[C@]2(C)CCNC2=O)CCO1 1065620363 IUPQFXWDILTVQY-BLLLJJGKSA-N 323.393 -0.178 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCCN(C(=O)CCOC)CC1 1066072837 AZXBNWGOZDHQPZ-CYBMUJFWSA-N 323.393 -0.340 30 20 DBED N#Cc1nccc(N2C[C@H](CNC(=O)c3cc[nH]c3)[C@@H](O)C2)n1 1067695691 NYTUPDXWOZRPLG-RYUDHWBXSA-N 312.333 -0.097 30 20 DBED C#CCOCCC(=O)N1CCOC2(C1)CN(C(=O)CCOC)C2 1068398015 YGWIUCNEDZAATO-UHFFFAOYSA-N 324.377 -0.497 30 20 DBED C=CCCC(=O)N1CC2(CN(C(=O)Cn3ncnn3)CCO2)C1 1068399885 SCOJJCGBFQXUSL-UHFFFAOYSA-N 320.353 -0.921 30 20 DBED N#CCN[C@@H]1CN(C(=O)CC[C@@H]2CCOC2)C[C@@H]1n1ccnn1 1070171363 CNMCKOJMDZHZTM-MCIONIFRSA-N 318.381 -0.040 30 20 DBED Cn1cnc([C@@H]2CN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C[C@H]2NCC#N)c1 1070525023 PVTRGJHVDYSHDI-CWFCOSEVSA-N 315.377 -0.280 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCCN(C(=O)C#CC2CC2)C1 1070706855 LMBAULIDVJKUKE-CQSZACIVSA-N 315.373 -0.354 30 20 DBED C=CCOCC(=O)N[C@@H]1CCCN(C(=O)CNC(=O)NC)C1 1070856401 URWJCZUGKHAWHK-LLVKDONJSA-N 312.370 -0.775 30 20 DBED CSCC(=O)N1CC[C@@H](N2C(=O)O[C@H]3CN(CC#N)C[C@H]32)C1 1070901909 NTAHICUGFMKCMH-UTUOFQBUSA-N 324.406 -0.021 30 20 DBED C=CCOCC(=O)N1C[C@H](C)[C@H](NC(=O)CS(C)(=O)=O)C1 1071808818 LTSCCVBVRCHXES-WDEREUQCSA-N 318.395 -0.803 30 20 DBED C#CCOCCC(=O)N1C[C@H](C)[C@H](NC(=O)Cc2nc[nH]n2)C1 1072100500 HXABAWPVNBYCPV-NWDGAFQWSA-N 319.365 -0.650 30 20 DBED C[C@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@H]1NC(=O)C#CC1CC1 1072293569 GLUYTIXQWPOIJQ-CMPLNLGQSA-N 305.378 -0.126 30 20 DBED Cn1cc(C(=O)NC[C@H]2CN(CC#N)CCCO2)ncc1=O 1073703496 PTMQVLJNPQEICI-NSHDSACASA-N 305.338 -0.875 30 20 DBED N#Cc1cc(C(=O)N2CC[C@H]3OCCN(CCO)[C@H]3C2)c[nH]1 1074212753 VGVBMNZQNWQCKN-UONOGXRCSA-N 304.350 -0.206 30 20 DBED C=C[C@@H](C)[C@H](C)C(=O)NCC1(O)CCN(C(=O)C(N)=O)CC1 1074703918 WOLCLEZEFGSJRP-MNOVXSKESA-N 311.382 -0.600 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](NC(=O)c2nc[nH]n2)C[C@H]1C 1075101946 OZTGONDZGBTIPC-VXGBXAGGSA-N 319.365 -0.046 30 20 DBED C=CCCC(=O)NCC[C@H](C)NC(=O)CN1CC(=O)NC1=O 1075883686 PBBRHDBSRMYVMN-JTQLQIEISA-N 310.354 -0.485 30 20 DBED C[C@@H](CCNC(=O)CN1CCOCC1)NC(=O)C#CC1CC1 1076197397 QOAUBYZCBUZEJN-ZDUSSCGKSA-N 307.394 -0.257 30 20 DBED C#CCOCCC(=O)NCC[C@H](C)NC(=O)c1nnn(C)c1C 1076504104 MIGUXKZBWDLSDC-NSHDSACASA-N 321.381 -0.212 30 20 DBED C[C@@H](CCNC(=O)c1c[nH]c(C(N)=O)c1)NC(=O)[C@@H](C)C#N 1076603836 YQOHGYQBVNILAC-IUCAKERBSA-N 305.338 -0.102 30 20 DBED C#CCCCC(=O)N[C@@H](C)CCNC(=O)CN1CCOCC1=O 1077024098 IJAASXCXCKRADE-ZDUSSCGKSA-N 323.393 -0.340 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)c2nnn(C(C)(C)C)n2)C1 1077034430 YYJKVQYIQJXSQB-GHMZBOCLSA-N 306.370 -0.774 30 20 DBED Cc1nn(CC(F)F)cc1C(=O)N[C@@H]1CN(CC#N)C[C@H]1O 1077188772 VWTQGNMLVBAUMK-GHMZBOCLSA-N 313.308 -0.245 30 20 DBED C[C@@H](CCNC(=O)c1cnn(C)n1)NC(=O)c1cc(C#N)c[nH]1 1077384283 RQRNCUAHANNIFF-VIFPVBQESA-N 315.337 -0.047 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)c2cn([C@@H]3CCOC3)nn2)C1 1077963949 NHPYMAJBSPKMDS-YRGRVCCFSA-N 319.365 -0.962 30 20 DBED C#CCOCCC(=O)N[C@@H](C)CCNC(=O)Cc1nc[nH]n1 1078596480 UQHZSOFXSXJCNN-NSHDSACASA-N 307.354 -0.602 30 20 DBED CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)C2(NC(N)=O)CC2)C1 1080411933 XQHOJHCIQCRWLR-SECBINFHSA-N 307.354 -0.594 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)c2cnn[nH]2)C[C@H]1O 1081466927 ZFOKTYSPLFEKLZ-CMPLNLGQSA-N 305.338 -0.987 30 20 DBED CC(C)(C)C#CC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2cnn[nH]2)C1 1081590851 XQUOUZVLSRHLBI-ZYHUDNBSSA-N 319.365 -0.597 30 20 DBED CN(C)CCC(=O)NC[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 1081732052 BXYQEFFWPSQIRM-KBPBESRZSA-N 307.394 -0.713 30 20 DBED C=CCCC1(C(=O)NC[C@H]2CN(C(=O)CC(N)=O)C[C@H]2O)CC1 1081742268 RPPBGCDDHRSGLJ-NWDGAFQWSA-N 323.393 -0.456 30 20 DBED CO[C@@H]1CN(Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)C(N)=O 1082086507 ARWWHDHEGSEBJE-CHWSQXEVSA-N 320.324 -0.502 30 20 DBED CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CCO[C@@H]2CN(CC#N)C[C@@H]21 1083194226 BZIGSYYAZGUCMG-MROQNXINSA-N 306.366 -0.854 30 20 DBED N#Cc1ccc(C(=O)N2C[C@H]3CCN([C@H]4CCNC4=O)C[C@H]32)[nH]1 1084288226 LWVGARWEKPYFHH-DDTOSNHZSA-N 313.361 -0.079 30 20 DBED C=CCN[C@H]1C[C@H](CNC(=O)c2cn(CC(=O)N(C)C)nn2)C1 1086558738 NPISPDDOWXFFAK-HAQNSBGRSA-N 320.397 -0.350 30 20 DBED Cn1cc([C@@H]2CN(C(=O)c3cnns3)C[C@H]2NCC#N)cn1 1086969005 XPNQXHJTVFGVCN-WDEREUQCSA-N 317.378 -0.007 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2ccc3c(c2)NC(=O)C3)[C@H](O)C1 1090278041 ANXFOWCWFCBFMY-TZMCWYRMSA-N 314.345 -0.130 30 20 DBED N#CCN1CC[C@H](NC(=O)c2ccc3c(n2)OCCO3)[C@H](O)C1 1090395158 ZVXZDRKRVGHMBI-CMPLNLGQSA-N 318.333 -0.459 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(c2nccc(OC)n2)C[C@H]1O 1090445260 GVCVROBYUSBICO-IJLUTSLNSA-N 322.365 -0.258 30 20 DBED COC[C@H](C)CC(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1O 1090475404 CUXDNWWGAZSNOL-RAIGVLPGSA-N 319.365 -0.313 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2cnn(CCOC)c2)[C@@H](O)C1 1090768020 PMYDDDKFDACIJP-CABCVRRESA-N 320.393 -0.282 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@@H]1O 1091081809 MITMKSXCTUSWNP-OLZOCXBDSA-N 302.334 -0.178 30 20 DBED CC(=O)NCC(=O)NC[C@H]1C[C@H](N=c2cc[nH]c(C#N)n2)C1 1091417116 XOZYVTMTCFKHBU-XYPYZODXSA-N 302.338 -0.787 30 20 DBED N#Cc1cnc(NCCNC(=O)CNC(=O)N2CCCC2)cn1 1093891899 OFTOYONOUDIOTH-UHFFFAOYSA-N 317.353 -0.318 30 20 DBED Cc1cc(=NCCNC(=O)[C@H]2C[C@H]2C(=O)N(C)C)c(C#N)c[nH]1 1094142584 NJVXRIARSNGKCT-QWHCGFSZSA-N 315.377 -0.064 30 20 DBED N#CCN1CC(n2cc(CNC(=O)[C@H]3C[C@H]4CC[C@H]3O4)nn2)C1 1094281155 LZFHVOJVEARGKC-HZSPNIEDSA-N 316.365 -0.158 30 20 DBED N#Cc1nc(=NCCCNC(=O)c2ccc3nnnn3c2)cc[nH]1 1094669749 NVSSTQXQTZPGJB-UHFFFAOYSA-N 323.320 -0.560 30 20 DBED C#CCCN1CC(N2C[C@@H](NC(=O)[C@@H]3CCCN3C)CC2=O)C1 1094714646 YXOVHWBUHPJOLT-ZFWWWQNUSA-N 318.421 -0.495 30 20 DBED C=CCCN1CC(N2C[C@H](NC(=O)c3nc[nH]n3)CC2=O)C1 1094798361 WYBDSORGCHSNAN-SNVBAGLBSA-N 304.354 -0.604 30 20 DBED N#CCN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1nnc(O)nc1O)C2 1094954529 ASLHLTRBQYRQSQ-YIZRAAEISA-N 304.310 -0.611 30 20 DBED CCC(=O)NCC(=O)N[C@H]1CCCN(c2ccnc(C#N)n2)C1 1096150610 UMBSSEYTXIWGRK-NSHDSACASA-N 316.365 -0.041 30 20 DBED CC(=O)N(C)CC(=O)N[C@H]1C[C@@H](Nc2nccnc2C#N)C1 1097151764 IROCKZASOZORLI-PHIMTYICSA-N 302.338 -0.114 30 20 DBED C=CCOCC(=O)N[C@H]1C[C@@H](N=c2cc[nH]c(C(=O)OC)n2)C1 1097168904 UGSGSEXKQHMQEM-PHIMTYICSA-N 320.349 -0.053 30 20 DBED CC(=O)N1CCO[C@H](C(=O)N[C@]23CCC[C@H]2CN(CC#N)C3)C1 1099142978 GLJAQUOLSNXIJD-DZKIICNBSA-N 320.393 -0.272 30 20 DBED C#CCOCCC(=O)NCC[C@H](C)Nc1ccc2nnnn2n1 1099515650 FMHYULAOKFPJPU-NSHDSACASA-N 317.353 -0.134 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)c2[nH]ccc2C)[C@H](O)C1 1099799086 IGIOYAKCFFSOIY-CHWSQXEVSA-N 318.377 -0.762 30 20 DBED C=CCCCN1CC[C@H](NC(=O)c2nnc(O)nc2O)[C@H](O)C1 1099904663 ZQCOCSGNRXFCJH-VHSXEESVSA-N 323.353 -0.586 30 20 DBED CN(CCNC(=O)CN1CCOCC1)c1cnc(C#N)cn1 1100065441 GXUPPHXSNKYKQE-UHFFFAOYSA-N 304.354 -0.767 30 20 DBED C=CCCN1CC[C@@H](NC(=O)CCc2cn(C)nn2)[C@@H](O)C1 1100147019 BDKYUWDAPOTGKN-KGLIPLIRSA-N 307.398 -0.125 30 20 DBED C#CCNC(=O)CC(=O)NCC1CC(N[C@H](C)C(=O)N(C)C)C1 1100262867 KTVRUKODWZCGRF-PNESKVBLSA-N 322.409 -0.913 30 20 DBED CN(CCNC(=O)c1cn(C)c(O)n1)c1nccnc1C#N 1100302260 WBEQZZRVVULHLP-UHFFFAOYSA-N 301.310 -0.346 30 20 DBED CN(CCNC(=O)C[C@@H]1NC(=O)NC1=O)c1ccncc1C#N 1100388097 AXPLVKLNHNJJOT-JTQLQIEISA-N 316.321 -0.896 30 20 DBED CCN(CCNC(=O)[C@@H](C)NC(C)=O)c1cncc(C#N)n1 1100434827 PQOGTJFMVVGTBK-SNVBAGLBSA-N 304.354 -0.185 30 20 DBED CC#CCNC1CC(CNC(=O)CCn2ncn(C)c2=O)C1 1100534263 WOUQNMZWQBMCPG-UHFFFAOYSA-N 305.382 -0.520 30 20 DBED C[C@H](NC(N)=O)C(=O)NC[C@H]1CCN(c2ncccc2C#N)C1 1100968625 JJTRFOAACFORQT-WDEREUQCSA-N 316.365 -0.047 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1CNC(=O)C(C)(F)F 1101675813 ZFRHEJBAUGENOP-NXEZZACHSA-N 302.325 -0.035 30 20 DBED N#Cc1nccnc1N1CCC[C@@H](CCNC(=O)C(N)=O)C1 1102941270 DKATVBFUVJSUPG-JTQLQIEISA-N 302.338 -0.444 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H](C)CNc1ncc(F)cn1 1103955852 BNWZLPMHNGESHM-SNVBAGLBSA-N 307.329 -0.081 30 20 DBED Cc1cc(N2CCO[C@@H](CNC(=O)[C@@H](C)C#N)C2)nc(CO)n1 1104301198 BANHPDCVTNTDCN-JQWIXIFHSA-N 319.365 -0.242 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)CO[C@@H]1CCOC1 1104683029 FHZGAVYLKDJTIH-VXGBXAGGSA-N 319.365 -0.166 30 20 DBED C[C@@H](CNc1cncc(C#N)n1)N(C)C(=O)Cn1ncnn1 1104689020 RBDPLELTPPBSAA-VIFPVBQESA-N 301.314 -0.706 30 20 DBED C#CCN[C@@H]1C[C@]2(C[C@H]1O)CN(C(=O)CNC(N)=O)[C@H]2C(C)C 1105594915 XJNQRGLYOCRCNA-HLSYRSCKSA-N 322.409 -0.746 30 20 DBED Cc1cc(=NC[C@@H](O)CNC(=O)c2cocn2)c(C#N)c[nH]1 1105750785 QLXGJEGHFVPIGG-LLVKDONJSA-N 301.306 -0.126 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H](O)CNC(=O)C[C@@H]1COC(=O)C1 1105819634 HRFGLGROTYBATI-CMPLNLGQSA-N 318.333 -0.783 30 20 DBED C=CCCOCC(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1 1105889432 DOMCUZLOVKKZBF-LLVKDONJSA-N 305.338 -0.748 30 20 DBED CCCN(C)CC(=O)NC[C@@H](O)CNc1cnc(C#N)cn1 1105909988 PHCMSHAKSXJRLO-LBPRGKRZSA-N 306.370 -0.421 30 20 DBED C=CCOCC(=O)N1C[C@@H](C)[C@H](CNCc2nnn(C)n2)C1 1105942940 RCYJLAHMSHBRCI-VXGBXAGGSA-N 308.386 -0.403 30 20 DBED COCC(C)(C)CC(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1 1106030454 SSKGCDQWBXSABF-LLVKDONJSA-N 321.381 -0.278 30 20 DBED COC[C@H](OC)C(=O)NC[C@@H](O)CNc1ccc(C#N)cn1 1106086457 GQVCQOIRPUQRQB-RYUDHWBXSA-N 308.338 -0.496 30 20 DBED C[C@@H](CCNc1nccnc1C#N)NC(=O)[C@@H]1CN(C)C(=O)N1 1106519398 KSHCHBLGFRDLGW-ONGXEEELSA-N 317.353 -0.321 30 20 DBED CCN(CCN=c1cc(C)[nH]cc1C#N)C(=O)Cn1ncnn1 1106852149 WUNQVBUHLAKXMM-UHFFFAOYSA-N 314.353 -0.369 30 20 DBED C#CCCCC(=O)NC[C@]1(C)CN(CC(=O)NCC#C)CCO1 1107901725 WUOSZYBXPAJAHQ-QGZVFWFLSA-N 319.405 -0.254 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)[C@H]2CCS(=O)(=O)C2)C1 1108057708 JQSYECOWGMQCHL-JSGCOSHPSA-N 314.407 -0.739 30 20 DBED C[C@H](CNc1nccnc1C#N)NC(=O)[C@]1(C)CCC(=O)N1 1108091533 NEBJKBLZJPPHHI-OTYXRUKQSA-N 302.338 -0.066 30 20 DBED CC#CCN1CCO[C@@](C)(CNC(=O)C[C@@H]2CCC(=O)N2)C1 1108276775 SWVSRRZMQMXINX-BBRMVZONSA-N 307.394 -0.115 30 20 DBED C[C@H]1CCN(C(=O)C(=O)NC[C@]2(C)CN(CC#N)CCO2)C1 1108332253 YQPZQMYWCIOZQJ-SWLSCSKDSA-N 308.382 -0.415 30 20 DBED C=C(C)CN1CC(N2C[C@@H](NC(=O)C3(C(N)=O)CC3)CC2=O)C1 1108568239 NVFYJAOBUCRMAW-NSHDSACASA-N 320.393 -0.771 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)[C@H](CC)N(C)C)CC2=O)C1 1108576840 FNRAMINXZHIVCE-OCCSQVGLSA-N 308.426 -0.086 30 20 DBED C[C@@H](CNc1nccnc1C#N)NC(=O)[C@H]1CN(C)C[C@@H](C)O1 1108768454 BORSMTWGRUAETP-DMDPSCGWSA-N 318.381 -0.016 30 20 DBED C[C@@H](CN(C)c1ccc(C#N)nc1)NC(=O)Cn1cnnn1 1108850880 RUMDILIKADOGTK-JTQLQIEISA-N 300.326 -0.419 30 20 DBED COC(=O)NCC(=O)N[C@@H]1[C@H]2C[C@H]1N(c1ccc(C#N)nn1)C2 1109684212 MNBKYTFKDKBXSJ-IYYTYJHQSA-N 316.321 -0.602 30 20 DBED COC1CC(C(=O)N(CCO)CCN=c2cc[nH]c(C#N)n2)C1 1111520632 SFZCDSBZHDOZEJ-UHFFFAOYSA-N 319.365 -0.572 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@@H](NCCO)[C@H](C(F)(F)F)C1 1112101144 ZRLMTGPYDLUPGR-GMTAPVOTSA-N 308.300 -0.004 30 20 DBED Cc1cncc(C(=O)N2CCN(CC(=O)NCC#N)CC2)c1 1112739628 GRMJRCHAUQXQBJ-UHFFFAOYSA-N 301.350 -0.212 30 20 DBED C[C@@H](CNC(=O)c1cnnn1C)N(C)c1nccnc1C#N 1113588489 DFXZETWNDABGSA-VIFPVBQESA-N 300.326 -0.269 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1)N(C)c1cncc(C#N)n1 1113671876 BGBVBSLNLIEEQV-ONGXEEELSA-N 302.338 -0.432 30 20 DBED N#CCNC(=O)CN1C[C@H]2C(NC(=O)c3cncc(F)c3)[C@@H]2C1 1114126135 VIVMHEIWDWCURX-VXGBXAGGSA-N 317.324 -0.480 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1[C@@H]2CN(Cc3nccn3C)C[C@@H]21 1114158342 UYRZIVATPPAZPU-ATCWAGBWSA-N 315.377 -0.894 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@H]2CN(CCCOC(C)C)C[C@H]12 1114170697 VMDGEVJHFMXXBT-KBPBESRZSA-N 321.421 -0.013 30 20 DBED C=CCCCN1C[C@@H]2C(NC(=O)Cn3cnc(C(N)=O)n3)[C@H]2C1 1114304590 UNWAFPLLVOZWFS-QWRGUYRKSA-N 318.381 -0.610 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3csc(O)n3)[C@H]2C1 1114713057 WBZHSGYVCLGNOG-IUCAKERBSA-N 320.374 -0.742 30 20 DBED C[C@@H]1CC[C@H](C(=O)N[C@H]2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]32)O1 1114856387 JOEFMKXZGXRJHE-DIACKHNESA-N 306.366 -0.760 30 20 DBED CC#CCN1C[C@H]2[C@H](NC(=O)CCC(=O)N3CCOCC3)[C@H]2C1 1115209632 XSTHJIFJIOUEFU-HALDLXJZSA-N 319.405 -0.305 30 20 DBED Cc1nnc(CC(=O)N(C)C[C@H](C)N=c2cc[nH]c(C#N)n2)o1 1115704201 HAJKGBZAFKIIMM-VIFPVBQESA-N 315.337 -0.037 30 20 DBED C[C@H](CN(C)C(=O)CCn1cnnn1)Nc1cncc(C#N)n1 1115808902 RSPSWXVRGIZSCT-SNVBAGLBSA-N 315.341 -0.316 30 20 DBED C=C(C)CN(CC)C(=O)C(=O)Nc1ncn(CC(=O)NC)n1 1116716720 WIFYSLRIBKUUOH-UHFFFAOYSA-N 308.342 -0.613 30 20 DBED C=CCn1cc(Cn2nnnc2N2CCO[C@@H](OC)C2)nn1 1120313487 HADWTJFTSPCNKR-LLVKDONJSA-N 306.330 -0.692 30 20 DBED Cc1cc(C(=O)NC[C@H](CO)N=c2cc[nH]c(C#N)n2)nn1C 1121151059 UEJJHUVHRHVZEF-SNVBAGLBSA-N 315.337 -0.985 30 20 DBED CCCC(=O)NCC(=O)NC[C@H](CO)Nc1ncccc1C#N 1121158795 PPBFWWOBZJZZMN-GFCCVEGCSA-N 319.365 -0.241 30 20 DBED CNC(=O)NCCC(=O)NC[C@@H](CO)Nc1ccc(C#N)nc1 1121439962 XZFATEKUCJUCMY-LBPRGKRZSA-N 320.353 -0.839 30 20 DBED CCn1ncc(C(=O)NC[C@@H](CO)Nc2cnc(C#N)cn2)n1 1121472227 POLMBVKPKZSYEF-JTQLQIEISA-N 316.325 -0.838 30 20 DBED N#Cc1nc(=N[C@@H](CO)CNC(=O)C2CCC(O)CC2)cc[nH]1 1121498738 YREBZWQWDBOLJV-MOENNCHZSA-N 319.365 -0.790 30 20 DBED C[C@@H]1[C@H](C(=O)NC[C@@H](CO)N=c2cc[nH]cc2C#N)CCN1C 1122753579 ZMNQXVMTZLVKBA-KWCYVHTRSA-N 317.393 -0.396 30 20 DBED C[C@H]1[C@H](Nc2ccc(C#N)nn2)CCN1C(=O)CNC(N)=O 1122930447 JTAMAHWGCXLLJA-WCBMZHEXSA-N 303.326 -0.582 30 20 DBED Cc1nn[nH]c1C(=O)N(C)C[C@@H](O)CNc1ccc(C#N)nc1 1124633345 HFONFJJQNNKLQO-LBPRGKRZSA-N 315.337 -0.075 30 20 DBED C[C@H](C#N)C(=O)NCCNCCNS(=O)(=O)c1ccccc1 1124902617 KYLGZYFNFXALOL-GFCCVEGCSA-N 324.406 -0.170 30 20 DBED CN(C[C@@H](O)CN(C)c1ccnc(C#N)n1)C(=O)c1cnon1 1125139687 MWPBUSPRIQPQSR-VIFPVBQESA-N 317.309 -0.699 30 20 DBED COCCN(CCNC(=O)c1cnn[nH]1)c1ncccc1C#N 1126561816 OSCQHHOVAOSREZ-UHFFFAOYSA-N 315.337 -0.046 30 20 DBED N#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)CCn2cccn2)C1 1128723726 BNOFRXDSIDVELA-OLZOCXBDSA-N 314.353 -0.570 30 20 DBED C=C(C)C[C@H](C)C(=O)N[C@@H]1CN(CC(N)=O)C[C@@H]1n1ccnn1 1129189282 LRCSIYWRHTZYPC-XQQFMLRXSA-N 320.397 -0.293 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1ccc(OC)nc1 1131062693 WYHIIOFMKQPMRJ-LLVKDONJSA-N 304.350 -0.453 30 20 DBED C=CCNC(=O)CN1C[C@H](NC(=O)c2nnn(C)n2)CC[C@H]1C 1132224586 OQLQXFKEOVCMGT-GHMZBOCLSA-N 321.385 -0.905 30 20 DBED C=CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)CNC(=O)OC 1133790084 NWFYLWNGNOGBOG-QWRGUYRKSA-N 314.386 -0.483 30 20 DBED C#CCNC(=O)CNCCNC(=O)Cn1ccnc1C(C)C 1134570011 FHPGVNZQJQOODT-UHFFFAOYSA-N 305.382 -0.538 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)NCCNCc1cnn(CC)n1 1134816975 KFJQMNCMFSSYTQ-CQSZACIVSA-N 322.413 -0.025 30 20 DBED C=CCOCCNCCNC(=O)[C@@]1(C)CCCS1(=O)=O 1135154925 JEXPJJPYLOBARN-CYBMUJFWSA-N 304.412 -0.138 30 20 DBED COCC#CCN1CCC2(C1)CN(C(=O)CN1CCCC1=O)C2 1146965968 RLVZELGHESNOMK-UHFFFAOYSA-N 319.405 -0.207 30 20 DBED C#CCNC(=O)CNCCNC(=O)CCOC1CCOCC1 1147209420 VNMWDUZRALWZGZ-UHFFFAOYSA-N 311.382 -0.973 30 20 DBED C=C(C)CN1CCCO[C@@H](CNC(=O)CS(C)(=O)=O)C1 1149374523 CILOMYLGULWLSB-LBPRGKRZSA-N 304.412 -0.186 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)CN(C)C(=O)C2CC2)C1 1149816707 DFMXZEPRBAOSEQ-AWEZNQCLSA-N 307.394 -0.305 30 20 DBED COCCC1(NC(=O)[C@H]2CC(=O)N(C)C2)CCN(CC#N)CC1 1151150196 MYHUKKUENIJYOR-ZDUSSCGKSA-N 322.409 -0.024 30 20 DBED Cc1cc(C(=O)NCCNCC(=O)NCC#N)nn1C(C)(C)C 1151217273 DSHYLTOUUAQGES-UHFFFAOYSA-N 320.397 -0.094 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)CNC(=O)C2CCC2)C1=O 1152304172 RIRGODJTZRGWFL-ZDUSSCGKSA-N 322.409 -0.605 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)c1cc(=O)n(C)cn1 1160227288 BQINPRANQPDIEG-NSHDSACASA-N 321.381 -0.820 30 20 DBED C#CCN1CCC(CNC(=O)[C@H]2CN(C)CCO2)(COC)CC1 1162187918 JDVYQIPYZSDXQD-OAHLLOKOSA-N 323.437 -0.205 30 20 DBED CC(C)n1ccc(CC(=O)NCCCNCC(=O)NCC#N)n1 1162917184 HNTDPOVFJBMYGU-UHFFFAOYSA-N 320.397 -0.258 30 20 DBED COCC#CCNCC1(CCNC(=O)[C@@H]2COCCO2)CC1 1163515949 RYKJTVFOJMPARM-AWEZNQCLSA-N 310.394 -0.072 30 20 DBED Cc1nn(C)c(C)c1C(=O)NCCCNCC(=O)NCC#N 1163565181 RIVCBDCARKYNFI-UHFFFAOYSA-N 306.370 -0.614 30 20 DBED N#CCNCC1(CCNC(=O)CN2CCCS2(=O)=O)CC1 1165341249 RBEDRLQSYVJQHB-UHFFFAOYSA-N 314.411 -0.578 30 20 DBED C=CCNCC1(CCNC(=O)Cn2nc(C)n(C)c2=O)CC1 1167942308 IRFAECNJTMVPKT-UHFFFAOYSA-N 307.398 -0.048 30 20 DBED C=CCCn1cc(C(=O)NCCCNCc2nc(O)n[nH]2)nn1 1167991278 LRDYOQJMSDRZHX-UHFFFAOYSA-N 320.357 -0.412 30 20 DBED CCn1ccnc1C(=O)N1CC[C@H](NCC(=O)NCC#N)[C@@H]1C 1178563716 PRCSFYOOZLLVOY-RYUDHWBXSA-N 318.381 -0.265 30 20 DBED CN1CC[C@@H](C(=O)NCCCCCCNCC(=O)NCC#N)C1 1180259491 IQKGXTNEKJHSSL-CQSZACIVSA-N 323.441 -0.156 30 20 DBED C=CCNCCCCCCNC(=O)CNC(=O)Cn1cncn1 1180357125 MTTXZZPONCZKSK-UHFFFAOYSA-N 322.413 -0.154 30 20 DBED N#CCSCC(=O)N1CC[C@@H](N[C@H]2CCC(=O)NC2=O)C1 1181106697 KUKYITWEIVMTMZ-ZJUUUORDSA-N 310.379 -0.761 30 20 DBED Cc1cnccc1CC(=O)N1CC[C@@H](NCC(=O)NCC#N)C1 1182599780 ZRSBHIZRJDCUFP-CQSZACIVSA-N 315.377 -0.237 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2[nH]c(O)nc2C)C1 1183475501 MPFSVWAGIYUQEL-WDEREUQCSA-N 321.381 -0.081 30 20 DBED C=CCNC(=O)CNC[C@H]1CCN(C(=O)c2cnn[nH]2)C[C@H]1C 1184711809 GWCTYDXDMZCJDH-VXGBXAGGSA-N 320.397 -0.205 30 20 DBED C[C@@H]1CN(C(=O)c2nccnc2C(N)=O)CC[C@H]1CNCC#N 1185652032 OKUVHOFNQORQKO-MNOVXSKESA-N 316.365 -0.213 30 20 DBED C=CCNC[C@H]1CN(C(=O)[C@H]2CNC(=O)N2)CC12CCOCC2 1186465084 XCKOFRPFBKBRID-QWHCGFSZSA-N 322.409 -0.301 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)c2ccc(O)nc2)C1 1187556374 DXHRVSDRHXSSGL-GFCCVEGCSA-N 304.350 -0.107 30 20 DBED C=CCCC(=O)N1CC[C@@H](N(C)CC(=O)N2CCNC(=O)C2)C1 1189279329 JHSXTEJFERGFOK-CYBMUJFWSA-N 322.409 -0.556 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2ccncc2)C1 1190668506 YGVLESDNTYGZPY-CHWSQXEVSA-N 304.350 -0.841 30 20 DBED COCCc1noc(CN2C[C@@H](O)[C@H](NC(=O)[C@H](C)C#N)C2)n1 1191853983 JBCZPGJGAONQKE-GMTAPVOTSA-N 323.353 -0.921 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CN(Cc2nc(C(F)F)no2)C[C@H]1O 1191855341 YXBYCVLAGYCGLH-XLPZGREQSA-N 315.280 -0.172 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2ocnc2C)C[C@H]1O 1192890769 CMYHZYYCVSTLRI-JHJVBQTASA-N 307.350 -0.317 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)[C@H](Cn2cccn2)N(C)C)C1 1193738058 LPWVEGIUQKBCAH-QLFBSQMISA-N 321.425 -0.449 30 20 DBED CC1(C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@H]2O)CCCCC1 1195820954 CQMUELBUJKHVIA-CHWSQXEVSA-N 322.409 -0.242 30 20 DBED COCC#CCN1CCCN(C(=O)c2cnc(O)n2C)CC1 1196724288 FWGLVNCMDJKIKZ-UHFFFAOYSA-N 306.366 -0.077 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)c2oncc2C)CC1 1197670228 ZQFIYOQZZSBYKY-UHFFFAOYSA-N 304.350 -0.120 30 20 DBED C#CCNC1CCN(C(=O)CCCn2c(O)nnc2O)CC1 1201378146 DRSWGSMNGFEXRX-UHFFFAOYSA-N 307.354 -0.317 30 20 DBED CC#CCNCC1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)CC1 1206932292 XORZEAPCBZRUID-CYBMUJFWSA-N 313.423 -0.470 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)c2cn(C)cn2)C1 1207806213 BQAPSQHKXOLGFH-CHWSQXEVSA-N 317.393 -0.248 30 20 DBED C#CCCN[C@@H]1CCCN(C(=O)[C@H]2CCN(C)S2(=O)=O)C1 1210060774 IFVUTNPSYWKBPM-CHWSQXEVSA-N 313.423 -0.376 30 20 DBED C#CCCN[C@H]1CCCN(C(=O)CN2CCC(=O)NC2=O)C1 1210522302 JJMBVRFIBVUWNH-LBPRGKRZSA-N 306.366 -0.468 30 20 DBED C=CCOCCN[C@@H]1CCCN(C(=O)CN2C(=O)CCC2=O)C1 1211008066 JHQNIKJDKWKSFB-CYBMUJFWSA-N 323.393 -0.081 30 20 DBED CO[C@@H]1CN(CC(=O)NCC2CC2)C[C@H]1NC(=O)[C@H](C)C#N 1212039963 YZEVBORJMDMKPK-RAIGVLPGSA-N 308.382 -0.512 30 20 DBED C#CCN1C[C@@H](NC(=O)COCc2ccnc(O)c2)[C@H](OC)C1 1212465336 ILSQBLYTVSUUOJ-ZIAGYGMSSA-N 319.361 -0.248 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1C 1214555705 RLTXAUMYHLUJHI-GRYCIOLGSA-N 318.381 -0.997 30 20 DBED C[C@@H]1CN(C(=O)[C@@]23COC[C@@H]2C3)C[C@H]1NCC(=O)NCC#N 1214668258 ZLCYMLYNLSFOIE-ZAZJYDDPSA-N 306.366 -0.901 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)[C@@]2(C)CCNC(=O)C2)C[C@H]1C 1214954638 CUQDRZKJVWDESJ-CPUCHLNUSA-N 321.421 -0.011 30 20 DBED CCc1nnc(CN2C[C@H](O)[C@H](NC(=O)[C@H](C)C#N)C2)s1 1219379664 WEVLELXZRIMQHB-BBBLOLIVSA-N 309.395 -0.079 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)c2cc[nH]c2C)C1 1219434936 QWJBHUCVJUBKGP-YUTCNCBUSA-N 318.377 -0.764 30 20 DBED C=CCCCN1C[C@H](O)[C@H](NC(=O)CC2CS(=O)(=O)C2)C1 1219910674 NXCSEZSKRYSFFM-OLZOCXBDSA-N 316.423 -0.451 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H](CC)CCC)C1 1220631327 JJCPRZVJBUBYEY-MJBXVCDLSA-N 309.410 -0.277 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(CC#CCOC)C[C@@H]2O)nc1 1220792769 GDCPVOQRWMCYER-CVEARBPZSA-N 313.357 -0.512 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2cncn2C)C[C@@H]1O 1221141687 WQNGEEGDJANTIX-BNOWGMLFSA-N 308.382 -0.328 30 20 DBED N#CCNC(=O)CN1CCC(NC(=O)c2cccnc2)CC1 1225831777 GFRPATIQMPLBII-UHFFFAOYSA-N 301.350 -0.084 30 20 DBED CSCC(=O)NCC[C@H]1CN(CC#N)CCS1(=O)=O 1230416869 UABIDWDJLWNJTD-JTQLQIEISA-N 305.425 -0.522 30 20 DBED C#CCC1(C(=O)N(C)C[C@@H]2CCN2CC(=O)NC(N)=O)CCC1 1235208639 DGTJFNZPPTVNBM-LBPRGKRZSA-N 320.393 -0.092 30 20 DBED C=C[C@H](COC)NC(=O)NCCS(=O)(=O)N1CCCC1 1263143380 DCSWTSFKVMFAAT-LLVKDONJSA-N 305.400 -0.088 30 20 DBED N#CCOc1ccc(NC(=O)C(=O)N2C[C@@H](O)C[C@H]2CO)cc1 1320729097 WNCCDAPTCWYTAE-RYUDHWBXSA-N 319.317 -0.518 30 20 DBED CN(C[C@@H]1CCCN(CC(=O)NCC#N)C1)S(C)(=O)=O 1321893656 VDXHIJLBKQETIK-NSHDSACASA-N 302.400 -0.770 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)NCCCn1cc(CO)nn1 1323832475 AGXCNKBMLKMMTK-SNVBAGLBSA-N 316.387 -0.771 30 20 DBED O=C(N[C@@H]1CCCN(O)C1=O)[C@H]1CC12CCS(=O)(=O)CC2 1325090120 ZNDKRBIQNBWJKE-NXEZZACHSA-N 316.379 -0.302 30 20 DBED C=C(CC)CNC(=O)C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 1325823151 PTHOZLZSAOVBBP-LLVKDONJSA-N 317.411 -0.391 30 20 DBED N#C[C@H]1CC[C@@H](NC(=O)C(=O)N[C@@H]2CCCS(=O)(=O)C2)C1 1326237913 FYYCXKFNVVHHOH-HBNTYKKESA-N 313.379 -0.512 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)NCc1nnnn1C1CC1 1328998906 ZTMYAHKTXKFJCB-UHFFFAOYSA-N 320.353 -0.878 30 20 DBED CN(C)C(=O)N1CCN(C(=O)C(=O)NCCCCC#N)CC1 1329259757 PNHQPCDVFRVBSY-UHFFFAOYSA-N 309.370 -0.378 30 20 DBED CCn1cc([C@@H]2C[S@](=O)CCN2C(=O)NCC#CCO)cn1 1332333422 BFWKECQJVWOMAQ-WHEQGISXSA-N 324.406 -0.286 30 20 DBED CN1CC[C@](O)(CNCCS(=O)(=O)c2ccc(C#N)cc2)C1 1335457221 JQDSIICIWJJZLN-HNNXBMFYSA-N 323.418 -0.012 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)NCC(=O)NCC1CC1 1336595033 VIDAAYOWLSHSCQ-GFCCVEGCSA-N 309.366 -0.827 30 20 DBED CCOC(=O)c1c(S(=O)(=O)N(CC#N)CC#N)n[nH]c1C 1337795086 AOFCATAWJBUIBH-UHFFFAOYSA-N 311.323 -0.067 30 20 DBED COC[C@]1(CO)CCN(C(=O)C(=O)N2CCC[C@@H](C#N)C2)C1 1338081326 JPKLPZKYZYGUOX-SWLSCSKDSA-N 309.366 -0.394 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)NCCNC(=O)OC(C)(C)C 1343034762 YCOPCZLKCZBGNK-JTQLQIEISA-N 315.370 -0.056 30 20 DBED C#C[C@@H](C)NC(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1 1343340502 MCTTWFFHGOVPSL-SSDOTTSWSA-N 313.310 -0.451 30 20 DBED C=CCN(C)c1nnc(CCc2nc(CC(=O)NC)no2)n1C 1343538238 JBEDQRGALHIMAZ-UHFFFAOYSA-N 319.369 -0.106 30 20 DBED CS(=O)(=O)CC1(CNC(=O)C(=O)NCCCCC#N)CC1 1347012508 QSILFCJOUXUSKB-UHFFFAOYSA-N 315.395 -0.263 30 20 DBED C=C(C)CN(C)C(=O)C(=O)NC1CCN(CC(=O)N(C)C)CC1 1347888924 KPRQZABERXNKFT-UHFFFAOYSA-N 324.425 -0.310 30 20 DBED C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@](O)(CC#N)C2)CCN1C 1349214696 JENXECUXBYHTEL-TYNCELHUSA-N 308.382 -0.538 30 20 DBED C=CCOCCNC(=O)C(=O)N1CCC(OCCOC)CC1 1350028126 IYUCHXVWDNSXKG-UHFFFAOYSA-N 314.382 -0.041 30 20 DBED CN1CCC[C@H](CNC(=O)Cn2cc(C#N)c(O)nc2=O)C1 1362079075 MORUFHZHRULVKX-SNVBAGLBSA-N 305.338 -0.721 30 20 DBED N#Cc1cn(CC(=O)N2CCC[C@H]2c2ncc[nH]2)c(=O)nc1O 1362680784 ORWBIIPORARWAO-JTQLQIEISA-N 314.305 -0.093 30 20 DBED CNC(=O)[C@@H]1CN(Cc2cc(O)n3ncc(C#N)c3n2)CCO1 1363225074 KZSVZYQYDTVXKJ-NSHDSACASA-N 316.321 -0.747 30 20 DBED CC1CC(C#N)(C(=O)NCCn2cc(C#N)c(O)nc2=O)C1 1363287805 PBKGGLLRQVGAGJ-UHFFFAOYSA-N 301.306 -0.123 30 20 DBED C=C(Cl)CN1CC[C@H]1CNC(=O)CN1CCOCC1=O 1367942325 IPQKCILQXFJZKJ-NSHDSACASA-N 301.774 -0.212 30 20 DBED C[C@H](C#N)C(=O)NC1CN(C(=O)c2ccc3nc(O)[nH]c3n2)C1 1374752493 XDXRKLIUSLQNAP-SSDOTTSWSA-N 314.305 -0.236 30 20 DBED COCC(=O)NCCC(=O)NC[C@H]1CCN1C(=O)[C@@H](C)C#N 1378381946 WHEURIMFFMUCTN-WDEREUQCSA-N 310.354 -0.984 30 20 DBED COCCn1cc(C(=O)NC[C@H](C)N(C)C(=O)[C@@H](C)C#N)nn1 1382974665 NSEUNYFAUKDHAA-QWRGUYRKSA-N 322.369 -0.339 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C(=O)c1cnn(C)c1N)C1CC1 1388679136 SNKRFZMOLKMEMC-VIFPVBQESA-N 304.354 -0.117 30 20 DBED CO[C@@H](C)C(=O)N1CC[C@@](O)(CNC(=O)c2cc(C#N)c[nH]2)C1 1390434297 VVPNFUAOOPWBTF-ZUZCIYMTSA-N 320.349 -0.386 30 20 DBED CCc1c(C(=O)NC[C@H](O)CNC(=O)[C@H](C)C#N)nnn1CC 1410166261 NSIIYHLCAKLUOE-NXEZZACHSA-N 322.369 -0.773 30 20 DBED C[C@H](C#N)C(=O)NCC1(C)CCN(C(=O)Cn2ncnn2)CC1 1417404082 MKRSLPHFMRUBNS-LLVKDONJSA-N 319.369 -0.422 30 20 DBED Cc1nc(N2C[C@@H](C(N)=O)[C@H](C(N)=O)C2)c(Cl)cc1C#N 1434449751 ZXKHTMUMZVKGLD-RKDXNWHRSA-N 307.741 -0.062 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CC[C@H](CNCC(=O)NC(N)=O)CC1 1447081433 GTGFXBRLQFCYGH-GMTAPVOTSA-N 309.370 -0.394 30 20 DBED COCC(=O)N(C)CC(=O)N1CCC[C@@H]1CNC(=O)[C@H](C)C#N 1449661382 POJZOPYCNYEWTK-VXGBXAGGSA-N 324.381 -0.642 30 20 DBED COCC(=O)N(C)CC(=O)N(CCNC(=O)[C@H](C)C#N)C1CC1 1449936541 MAMUFKKIZXMXPR-LLVKDONJSA-N 324.381 -0.642 30 20 DBED N#Cc1cn(CC(=O)N2CCn3cncc3C2)c(=O)nc1O 1450719249 BFWZSKHKYHZXOM-UHFFFAOYSA-N 300.278 -0.941 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)N2C[C@@H](CO)[C@@H](O)C2)cc1 1451188504 RHMFICVJNXGXEO-STQMWFEESA-N 303.318 -0.900 30 20 DBED COC(=O)[C@H](NC(=O)Cn1cnc(C#N)n1)c1cccnc1 1468216414 IGGFTHPJRDSZLS-GFCCVEGCSA-N 300.278 -0.425 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)c2cc(C)ncn2)C1 1491721092 IGVCPZIVIYYQRV-STQMWFEESA-N 315.377 -0.273 30 20 DBED Cc1nc2n(n1)C[C@H](Nc1cnc(C#N)c(-c3nn[nH]n3)n1)CC2 1581533091 UOMAGACVIUVIOL-MRVPVSSYSA-N 323.324 -0.145 30 20 DBED C#C[C@H](CO)NS(=O)(=O)c1ccc(OC)cc1CC(=O)O 1588370374 BHKDXUBYDHGLDC-SNVBAGLBSA-N 313.331 -0.405 30 20 DBED C#CCN(CC(=O)O)CC(=O)N[C@@H](C)C(=O)N1CCCCC1 1588419659 ACQRYJHSHDEUOO-LBPRGKRZSA-N 309.366 -0.477 30 20 DBED C#Cc1ccc(NC(=O)C(=O)N2CCO[C@@H](C(=O)O)C2)cc1 1588439055 LKTWLXCRHYBJGI-GFCCVEGCSA-N 302.286 -0.082 30 20 DBED C#CCNC(=O)CNCC1(NC(=O)[C@H]2C[C@@H]2C(=O)O)CCCC1 1588483562 ASFUXHFRJKPFHW-RYUDHWBXSA-N 321.377 -0.525 30 20 DBED C=CC[C@H](CO)NC(=O)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 1588545762 NLYXDPVQSDMUKX-NEPJUHHUSA-N 303.322 -0.047 30 20 DBED C=C[C@H](O)C(=O)Nc1ccc(C(=O)O)cc1OCC(=O)NC 1588706243 XBBWDGWKBQQJIH-JTQLQIEISA-N 308.290 -0.005 30 20 DBED Cn1c(=O)[nH]c(N[C@H]2C[C@H]3C[C@@H](C(=O)O)C[C@@H]23)c(C#N)c1=O 1600893244 DNQVFSRSXBJMMR-DQUBFYRCSA-N 304.306 -0.144 30 20 DBED CN1CCOC[C@H]1CNc1cnc(-c2nn[nH]n2)c(C#N)n1 1604867475 LMCHYCCUZYVDDF-MRVPVSSYSA-N 301.314 -0.729 30 20 DBED Cn1cc(C#N)c(NC(=O)N2CCC[C@H]2C(=O)NCC(=O)O)n1 1608093414 FROIURMQTRJSHM-VIFPVBQESA-N 320.309 -0.511 30 20 DBED N#Cc1ccc(CNC(=O)CN2CCC[C@H](C(=O)O)C2=O)nc1 1608204840 MEDVFDRNFRAXFL-LBPRGKRZSA-N 316.317 -0.107 30 20 DBED N#CCOc1cccc(NC(=O)c2cn(CC(N)=O)nn2)c1 1649706107 CMSJGAWMXJOIFZ-UHFFFAOYSA-N 300.278 -0.082 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@H](NCCOCCO)C2)cn1 1662564797 PGKNWMUVJLRVNQ-HNNXBMFYSA-N 303.362 -0.124 30 20 DBED C=C(C)CCN[C@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 1690259118 ULAJGSGQAKNCOL-RYUDHWBXSA-N 301.412 -0.165 30 20 DBED CC#CCN1CC[C@H](NC(=O)CNS(=O)(=O)CCCC)C1 1713088516 RUAQOQYMLQPKEZ-ZDUSSCGKSA-N 315.439 -0.080 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)CCNC(=O)c1cncc(C#C)c1 1753063814 DIQYAMFUEJSHQQ-CYBMUJFWSA-N 312.373 -0.138 30 20 DBED CC#CCN(CC)CCNC(=O)Cn1nc2n(c1=O)CCCC2 1753092201 FUEHXUAPZHCMKX-UHFFFAOYSA-N 319.409 -0.158 30 20 DBED N#CCNC(=O)CN1CC[C@H](CNC(=O)c2csnn2)C1 1753130552 FDDMDRGLLLPOSZ-SECBINFHSA-N 308.367 -0.770 30 20 DBED C=CCN1CC[C@@H](N(CC)C(=O)C[C@H](NC(C)=O)C(N)=O)C1 1753458962 LVNBVZGGXFKKNX-OLZOCXBDSA-N 310.398 -0.525 30 20 DBED C#CCCNC[C@H](O)CNC(=O)c1cc(C)nc2c1cnn2C 1753932418 NTPGRUUNZRHBIZ-LBPRGKRZSA-N 315.377 -0.020 30 20 DBED C#CCNC(=O)CNC[C@H](C)NC(=O)[C@@H]1CCc2c[nH]nc2C1 1754294806 AYJQETJBXXXUIJ-NWDGAFQWSA-N 317.393 -0.642 30 20 DBED C#CCNC(=O)CNC[C@H](C)NC(=O)[C@@H](CC)N1CCCC1=O 1754295256 RPZFPWRPBVBFGD-QWHCGFSZSA-N 322.409 -0.769 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)N(C)C1CN([C@@H](C)C(=O)NC)C1 1754583348 UVUDFIJPIZPRJP-SMDDNHRTSA-N 324.425 -0.266 30 20 DBED CCNC(=O)CC(=O)N1CC[C@H](NCC(=O)NCC#N)C[C@@H]1C 1754593547 PIMPABOWFQQUMF-RYUDHWBXSA-N 323.397 -0.879 30 20 DBED N#CCN1C[C@H]2CN(C(=O)CNC(=O)c3ccccn3)C[C@H]2C1 1754847344 BGDWGBAYNDSDTM-BETUJISGSA-N 313.361 -0.275 30 20 DBED C=C(Cl)CN1CCC[C@@](CO)(NC(=O)[C@@H]2CCNC2=O)C1 1754857474 ISOCRNVJDMNFFW-BXUZGUMPSA-N 315.801 -0.182 30 20 DBED C#CCN[C@]1(CO)CCCN(C(=O)CCc2ccn(C)n2)C1 1755082818 DEMKXLKYUXFKCZ-MRXNPFEDSA-N 304.394 -0.071 30 20 DBED C#CCN[C@@]1(CO)CCCN(C(=O)COC2CCN(C)CC2)C1 1755091071 UBKRUJWZZDCBDM-KRWDZBQOSA-N 323.437 -0.327 30 20 DBED C=CCNC(=O)CN1CC([C@@H](C)NC(=O)Cc2cnoc2)C1 1755384278 NWBBXMHZMUERIZ-LLVKDONJSA-N 306.366 -0.044 30 20 DBED C=CCCN1CCO[C@]2(CCN(C(=O)[C@H](C)NC(N)=O)C2)C1 1755401877 WHJMIEQUGCFWQJ-SWLSCSKDSA-N 310.398 -0.077 30 20 DBED C=C(C)CCC(=O)N(C)C[C@@H](O)CN(C)Cc1nnn(C)n1 1755801580 FJWZFGGSIMNBTR-LBPRGKRZSA-N 310.402 -0.183 30 20 DBED C=CCOCC(=O)N1C[C@H](NC(=O)CNC(C)=O)C(C)(C)C1 1756170547 KNSWFWYCVVXKET-LBPRGKRZSA-N 311.382 -0.322 30 20 DBED CC(C)C#CC(=O)NCC1[C@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@H]12 1756197530 KWRCKPTZBVAXIP-ZMJPVWNMSA-N 317.389 -0.412 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(C(=O)[C@H](C)n2cncn2)C[C@H]1O 1756993954 XDXVFLQFYWQGPA-YNEHKIRRSA-N 319.365 -0.814 30 20 DBED C=CCOCC(=O)N1CC[C@H](NC(=O)c2cccnc2)[C@@H](O)C1 1757558510 DCWWMFSKEDGZBN-KBPBESRZSA-N 319.361 -0.024 30 20 DBED COC[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC#N)C2 1793437844 LRXJAUARBPAFST-NRWUCQMLSA-N 309.366 -0.228 30 20 DBED N#CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cccn1)C2 1795083128 KUIVODJKEXOGJC-JJLQDPRZSA-N 317.349 -0.614 30 20 DBED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)[C@@H]1CCCOC1)C2 1846197451 OBECMVKUVUEULU-GFCCVEGCSA-N 320.345 -0.296 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(Cc2cc(C)no2)c1=O 70846995 BREOHBKBXPJSSQ-UHFFFAOYSA-N 304.306 -0.112 30 20 DBED C#CCN1CCN(C(=O)c2ccc(S(=O)(=O)NC)cc2)CC1 112920571 MPZLDLCPAHUEHB-UHFFFAOYSA-N 321.402 -0.014 30 20 DBED C[C@@H]1CCNC(=O)[C@H]1NC(=O)CNC(=O)c1ccc(C#N)cc1 195152038 UGCYLGHMNOPOJH-YGRLFVJLSA-N 314.345 -0.071 30 20 DBED C/N=C(/NCCn1cncn1)N1CCO[C@@H](c2cnn(C)c2)C1 261859550 ZDAOPLRZJKHJEY-CYBMUJFWSA-N 318.385 -0.340 30 20 DBED N/C(=N/CCc1cnccn1)N1CCN(c2ncccn2)CC1 263141216 JNGUWRKBAOOZAG-UHFFFAOYSA-N 312.381 -0.054 30 20 DBED N#C[C@H]1CN(C(=O)CN2C(=O)NC3(CCCC3)C2=O)CCO1 264487049 NBCUUHUSOSUSTL-JTQLQIEISA-N 306.322 -0.398 30 20 DBED N#Cc1cccc(CS(=O)(=O)NCCC(=O)NC(N)=O)c1 268145544 IZMBMCADHBITBR-UHFFFAOYSA-N 310.335 -0.437 30 20 DBED C#Cc1cccc(NC(=O)CNC(=O)CNS(=O)(=O)CC)c1 269307106 XFPVRQVCAZUQOG-UHFFFAOYSA-N 323.374 -0.338 30 20 DBED CCN1CCC[C@H]1CN/C(N)=N/CCN1CCN(C(C)=O)CC1 303878267 FWOYHBIQCLYUOV-HNNXBMFYSA-N 324.473 -0.461 30 20 DBED N#Cc1ccc(S(=O)(=O)NCCCCS(N)(=O)=O)s1 312085981 NTEMVTRILAHKBZ-UHFFFAOYSA-N 323.421 -0.033 30 20 DBED C[C@H](O)CN1CCN(/C(O)=N/[C@@H]2CCCS(=O)(=O)C2)CC1 329367593 HNHKCANQZCBZMK-NWDGAFQWSA-N 319.427 -0.524 30 20 DBED CN(CC(=N)O)C[C@H]1CN(/C(O)=N/[C@@H]2[C@H]3COC[C@H]32)CCO1 330000662 WVGGNAHBEFCZOH-MEWQQHAOSA-N 312.370 -0.287 30 20 DBED CS(=O)(=O)NC[C@H]1CCCN(S(=O)(=O)CCCC#N)C1 330697835 LDOHAVCBBXALKL-LLVKDONJSA-N 323.440 -0.119 30 20 DBED CCS(=O)(=O)C[C@H](C)N/C(O)=N/C[C@@H]1CN(C)CCO1 330762875 PKGVNENMGBGHML-WDEREUQCSA-N 307.416 -0.356 30 20 DBED CO[C@@H]1CCC[C@H]1CNS(=O)(=O)N1CCO[C@@H](C#N)C1 336948123 QDZUDAGMTAEGFE-SDDRHHMPSA-N 303.384 -0.140 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)OC 337055828 CAGCZLKAQSGYJJ-VWYCJHECSA-N 319.383 -0.679 30 20 DBED C[C@H](O)C[C@H]1COCCN1S(=O)(=O)N(C)[C@H](C)CC#N 337846036 WYGZPHARQZNKDS-WOPDTQHZSA-N 305.400 -0.063 30 20 DBED COC(=O)CSCCNS(=O)(=O)N(C)[C@@H](C)CC#N 337872945 SGLLVJGWAGBTCH-VIFPVBQESA-N 309.413 -0.039 30 20 DBED CNC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 340630440 LSAJKPKQUUPGQX-LBPRGKRZSA-N 300.318 -0.479 30 20 DBED CCC[C@]1(CO)CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)C1 341960755 RRQWDKOXUBQCOH-OLZOCXBDSA-N 317.411 -0.060 30 20 DBED COC(=O)CN(CC#N)S(=O)(=O)c1ccc(C(N)=O)cc1 351685716 DBUYSMJPSCFILQ-UHFFFAOYSA-N 311.319 -0.527 30 20 DBED N#Cc1ncn(CC(=O)N2CCN(c3ncc(F)cn3)CC2)n1 354316082 JXNGQOMRBKGFGB-UHFFFAOYSA-N 316.300 -0.572 30 20 DBED CN(C(=O)C(=O)Nc1ccc(C#N)c(F)c1)[C@@H]1CCNC1=O 354476816 SHZSEKCXWMWHAU-LLVKDONJSA-N 304.281 -0.017 30 20 DBED C=CCOC[C@@H](NC(=O)c1cn([C@H]2CCOC2)nn1)C(=O)OC 360756021 SURQUMZNUUDVDC-CMPLNLGQSA-N 324.337 -0.287 30 20 DBED C[C@@H](C(=O)N(C)CCC#N)N(C)C[C@@H](O)CN1CCOCC1 435000674 OZQVFHOTSJIOKK-UONOGXRCSA-N 312.414 -0.628 30 20 DBED C=CCOC[C@H](NC(=O)Cc1nnc(NC)s1)C(=O)OC 435952134 YYYDOIYXZGTUEW-QMMMGPOBSA-N 314.367 -0.017 30 20 DBED C#CCN1CCN(C(=O)CN2CCO[C@H](CC(=O)OC)C2)CC1 490842226 ZWXAWUUMDIIVML-CQSZACIVSA-N 323.393 -0.972 30 20 DBED C#CCNC(=O)C1CCN(CC(=O)Nc2nncs2)CC1 491069128 TVCDENNTSTXYSE-UHFFFAOYSA-N 307.379 -0.062 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)CN2[C@@H](C)CC[C@H]2C)CC1 491727663 GOOAYYTURXRKQK-GASCZTMLSA-N 320.437 -0.247 30 20 DBED CCOC[C@H]1CN(C(=O)NCCn2cnc(C#N)n2)CCO1 527936210 XDSRYFQHUWJLHC-LLVKDONJSA-N 308.342 -0.403 30 20 DBED N#Cc1ccccc1OC[C@H](O)CN1CCO[C@H](C(N)=O)C1 528367186 QFPSSANJAGQEMN-OCCSQVGLSA-N 305.334 -0.516 30 20 DBED CCC(=O)C[C@H](NS(=O)(=O)N(C)[C@@H](C)CC#N)C(=O)O 567593146 RTNVWNIDYNBSNE-WPRPVWTQSA-N 305.356 -0.123 30 20 DBED N#Cc1cccc(CNC(=O)CN[C@@]2(C(N)=O)CCOC2)c1 568103739 IYUJABGRWPXONO-HNNXBMFYSA-N 302.334 -0.592 30 20 DBED COC(=O)[C@@H]1C[C@@H](O)CN(CC(=O)N[C@@](C)(C#N)C2CC2)C1 592206669 HFMPGMHPRCMQBA-HCKVZZMMSA-N 309.366 -0.349 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@H](CCC(=O)O)C(=O)O 593254592 NWMBYGLDQFXABM-DTWKUNHWSA-N 321.355 -0.380 30 20 DBED C=C[C@@H](O)C(=O)N1CCC(C(=O)OCC)([S@](C)=O)CC1 597711476 DSYQDJTXJTXKSQ-SBKAZYGRSA-N 303.380 -0.164 30 20 DBED CCN(C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)[C@@H](C)C#N 598346554 LBUFBDAWWGIWPC-VIFPVBQESA-N 318.337 -0.806 30 20 DBED N#CCCN1CCN(C(=O)C(=O)N2CC[C@H]3CCN[C@H]3C2)CC1 601580736 DGNLWOKARDPHJO-KGLIPLIRSA-N 319.409 -0.745 30 20 DBED N#CCCN1CCN(C(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 602284864 ZEQVWRWJTIFKNM-UPJWGTAASA-N 306.366 -0.520 30 20 DBED COCCN(CCC#N)C(=O)CN1CCS(=O)(=O)CC1 609137011 VCMHVTUXESLTJV-UHFFFAOYSA-N 303.384 -0.895 30 20 DBED CC#CC[C@@H](CO)NC(=O)N[C@@H]1CCc2nc(COC)nn2C1 645361908 VHQCIMJGLXGDFQ-NEPJUHHUSA-N 321.381 -0.187 30 20 DBED CCC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C1CC1 771889867 LGSUVSHPGIBNAC-UHFFFAOYSA-N 314.367 -0.462 30 20 DBED CCOC(=O)CON=C(C(=O)N[C@@H]1CCOC1)c1cc[nH]n1 772430527 HDNSYVFMYJODTC-SECBINFHSA-N 310.310 -0.401 30 20 DBED COC[C@@H](NS(=O)(=O)c1cc(C#N)ccc1Cl)C(N)=O 772865364 BLXZTBSUWPFJPB-SECBINFHSA-N 317.754 -0.010 30 20 DBED CCN(CCO)C(=O)C(=O)NCCNc1ncccc1C#N 787753659 JHKGBBADLQEBGT-UHFFFAOYSA-N 305.338 -0.678 30 20 DBED C#CCC[C@@H](O)CNS(=O)(=O)c1cccc(-n2cnnn2)c1 798486052 MTUSTWBCNLQWOM-GFCCVEGCSA-N 321.362 -0.285 30 20 DBED CC#CCS(=O)(=O)NC(=O)[C@@H]1CCCCN1S(C)(=O)=O 810778820 NXVRYHKQAOKNHP-JTQLQIEISA-N 322.408 -0.730 30 20 DBED C=CCS(=O)(=O)CCNC(=O)[C@@H]1CCCCN(C)C1=O 821839521 ZUNLCNRQKNDQOZ-NSHDSACASA-N 302.396 -0.038 30 20 DBED CC#CC[C@@H](CO)NS(=O)(=O)N1CCC2(CC1)OCCO2 828394982 DECZHFMWHQLNPF-LBPRGKRZSA-N 318.395 -0.566 30 20 DBED C=CCONC(=O)NCCNS(=O)(=O)c1cccnc1 838709390 XPSWHLVMWRGQQK-UHFFFAOYSA-N 300.340 -0.223 30 20 DBED C#C[C@H](NC(=O)C(=O)NC[C@]1(C)CCCNC1)[C@H]1CCCO1 842161385 BRGWNYWSGCECTK-WOSRLPQWSA-N 307.394 -0.211 30 20 DBED C#CC[C@@H](CCOC)NC(=O)N(C)CC(=O)N1CCOCC1 875920045 VABVMIGBQICMIW-ZDUSSCGKSA-N 311.382 -0.085 30 20 DBED CN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CCN(C(=O)CC(N)=O)C1 936948294 UKGLCLMHNZTRIK-JTQLQIEISA-N 303.322 -0.565 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1cn(C)c(=O)n1C 937494901 RSVSHBXBPBRALL-DCAQKATOSA-N 317.349 -0.691 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](N(C)C(=O)c2cnn(C)c2N)C1 939394992 BJYVPOPABXQUOO-ZJUUUORDSA-N 304.354 -0.165 30 20 DBED CO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1NC(=O)c1nnn(C)c1C 941419317 SEAGBETXMGKBGS-FBIMIBRVSA-N 320.353 -0.761 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](NC(=O)c2ccoc2CC(N)=O)C1 942291730 PXMBZXRJYQVHBD-VHSXEESVSA-N 318.333 -0.202 30 20 DBED CC#CCN1CCC2(CC1)CN(C(=O)Cn1nccn1)CCO2 949105250 RPJCKAUDUREQMQ-UHFFFAOYSA-N 317.393 -0.005 30 20 DBED C[C@H](C#N)C(=O)N1CCC(C)(NC(=O)[C@H]2CCC(=O)N2)CC1 956314615 JDRGFMDIPAHDBI-GHMZBOCLSA-N 306.366 -0.078 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](CNC(=O)c2nnn(C)c2C)C1 957952909 IOFLAIALUZDNPG-MNOVXSKESA-N 313.789 -0.101 30 20 DBED CNC(=O)c1cccc(C(=O)NC[C@@H]2CN(CC#N)C[C@@H]2O)c1 958694913 KFWINIPNSMJXCL-KGLIPLIRSA-N 316.361 -0.408 30 20 DBED Cc1ncc(CC(=O)N(C)[C@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)o1 958869319 DLBIXBLTRZWGOW-ICCXJUOJSA-N 320.349 -0.285 30 20 DBED Cc1ncn(C)c1C(=O)N(C)[C@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1O 958870581 IKEBOAZPZSMJEI-DLOVCJGASA-N 319.365 -0.468 30 20 DBED Cc1nn[nH]c1C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H](C)C#N 960878387 NVXNVPAYTGTXOF-DVVUODLYSA-N 318.337 -0.675 30 20 DBED C=C(C)CCN1C[C@H]2C(NC(=O)CN3CCC(=O)NC3=O)[C@@H]2C1 962228608 NIZUFFHCOVEABA-VXGBXAGGSA-N 320.393 -0.059 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)C1=CCOCC1 964152144 CTDJCDILDNZGFO-WCQYABFASA-N 307.350 -0.164 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC2(C[C@@H](NC(=O)CC)CO2)C1 965586120 RJWZIJFPDNSBLD-KGLIPLIRSA-N 319.405 -0.020 30 20 DBED C=C1CCC(C(=O)N2C[C@H](O)[C@H](NC(=O)c3cnn[nH]3)C2)CC1 968708958 OKYWCSPMFYQCLR-OLZOCXBDSA-N 319.365 -0.147 30 20 DBED C=C1CC(C)(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CNC(=O)N3)C2)C1 974393015 MUPXLSLXZXAOPF-AXFHLTTASA-N 306.366 -0.213 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)C(N)=O 977795752 OGYCWRKVBWOJFO-UTUOFQBUSA-N 309.366 -0.488 30 20 DBED N#CCN1C[C@H]2C(CNC(=O)c3ccc(S(N)(=O)=O)o3)[C@@H]2C1 978432795 WNFODZFKQCXFGQ-UWVGGRQHSA-N 324.362 -0.642 30 20 DBED C[C@H](NC(=O)c1cc(C#N)c[nH]1)C1CCN(C(=O)C(N)=O)CC1 986983412 YNIZNMJSYUHGBR-VIFPVBQESA-N 317.349 -0.271 30 20 DBED C=C(C)CN[C@@H]1C[C@@H](C)N(C(=O)CN2CCN(C)C(=O)C2)C1 989066771 CJJWOMIKLMBKDG-ZIAGYGMSSA-N 308.426 -0.085 30 20 DBED C[C@@H]1OCCO[C@@H]1C(=O)N1CC(NC(=O)c2c[nH]c(C#N)c2)C1 990927721 HETHWYHSTUVBDE-ZANVPECISA-N 318.333 -0.369 30 20 DBED CCn1ncc(C(=O)NC2CN(C(=O)c3c[nH]c(C#N)c3)C2)n1 991182481 DRWQMCVFBKRJDN-UHFFFAOYSA-N 313.321 -0.248 30 20 DBED C=CCn1cc(C(=O)NC2CN(C(=O)[C@@H](CC)OC)C2)nn1 991673077 JAOVVAWDIFWQMA-GFCCVEGCSA-N 307.354 -0.170 30 20 DBED C=CCn1cccc1C(=O)NC1CN(C(=O)[C@H]2CCC(=O)N2)C1 994188679 DYYIVUNWHMRBAO-GFCCVEGCSA-N 316.361 -0.107 30 20 DBED C[C@@H]1OCCO[C@@H]1C(=O)NC1CN(C(=O)c2ccc(C#N)[nH]2)C1 994757001 FNZZIUCJHJANAB-ZANVPECISA-N 318.333 -0.369 30 20 DBED C#CCN[C@@H]1CN(C(=O)CN2CCC(=O)NC2=O)CC1(C)C 996500806 VAVHNHMYNDGQCQ-LLVKDONJSA-N 306.366 -0.612 30 20 DBED CN1CC[C@@H](C(=O)NCc2cn([C@H]3CCN(CC#N)C3)nn2)C1 1000046456 UEVKYBUOOTXEOX-OCCSQVGLSA-N 317.397 -0.384 30 20 DBED CC(=O)N1CC(C(=O)N[C@@H](C)C2CN(C(=O)C#CC3CC3)C2)C1 1005971329 DNKIKMNCWOAUEL-NSHDSACASA-N 317.389 -0.159 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)C(N)=O)C1 1006182077 WLYODHYTJPHKON-JLLWLGSASA-N 309.366 -0.584 30 20 DBED CC#CCN1CCC2(CC1)C[C@@H]2NC(=O)C[C@@H]1NC(=O)NC1=O 1016665355 ZNIYIKHGQDUOET-RYUDHWBXSA-N 318.377 -0.422 30 20 DBED C#CCN1CCC2(CC1)C[C@@H]2NC(=O)[C@H]1CN(C(C)=O)CCO1 1016952895 ILIVCVXOIDYNSN-CABCVRRESA-N 319.405 -0.162 30 20 DBED C=CCN1CC[C@H](N[C@H]2C[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)C1=O 1020597575 YKXDFWIRPGMFOK-KVSVUVNWSA-N 320.393 -0.869 30 20 DBED CC#CCN1CCCC[C@H]1CNC(=O)[C@H]1CCS(=O)(=O)N1 1024805817 DKICNIPBCSEQGL-QWHCGFSZSA-N 313.423 -0.328 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2C)C1 1025019623 QEJKWFXDDYUUAT-ARILJUKYSA-N 319.405 -0.572 30 20 DBED Cn1nnc(CN[C@@H]2CC[C@@H]3CN(C(=O)C#CC4CC4)C[C@H]32)n1 1026263193 FWDCGQLZIRZTSU-MGPQQGTHSA-N 314.393 -0.050 30 20 DBED C=CCCn1cc(C(=O)NC[C@@H]2CCN(CC(N)=O)C2)nn1 1028858661 VSNKYXHQNPZWCQ-NSHDSACASA-N 306.370 -0.609 30 20 DBED CN(C)c1cnc(C(=O)NC[C@@H]2CN(CC#N)CCO2)cn1 1035377015 ZNNAIYOWADHIMH-LLVKDONJSA-N 304.354 -0.503 30 20 DBED Cc1nnc2ccc(C(=O)NC[C@H]3CN(CC#N)CCO3)cn12 1035417486 ADNRXLGNBGDXCB-ZDUSSCGKSA-N 314.349 -0.008 30 20 DBED CC#CCN1CCO[C@@H](CNC(=O)c2ccnc(OC)n2)C1 1035438853 QKXOSXMWMZVREW-LBPRGKRZSA-N 304.350 -0.061 30 20 DBED C[C@H]1CN(C(=O)c2cc(=O)n3[nH]cnc3n2)CC[C@H]1NCC#N 1036252129 AITYIYGRZPLKCT-VHSXEESVSA-N 315.337 -0.619 30 20 DBED N#Cc1nccnc1NC[C@@H]1C[C@H]2CC[C@H]1N(C(=O)C(N)=O)C2 1040020057 ZHXSMLGDDMTYDH-JFGNBEQYSA-N 314.349 -0.127 30 20 DBED C=CCCOCC(=O)N1CC[C@@](O)(CNC(=O)[C@H](C)C#N)C1 1040769316 KZGCFSXKWVTVFC-IUODEOHRSA-N 309.366 -0.182 30 20 DBED Cc1cc(C#N)nc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3CCOC3)C2)n1 1040939482 RMNPSEFBYICENP-CYZMBNFOSA-N 317.349 -0.641 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)c3csnn3)C2)cn1 1041262278 DSMLWLHGYQAIBR-ZYHUDNBSSA-N 316.346 -0.216 30 20 DBED N#Cc1cnccc1N1C[C@@H](O)[C@H](NC(=O)[C@]2(F)CCOC2)C1 1041303706 CYDAXRGCPAICLX-KYOSRNDESA-N 320.324 -0.252 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)[C@H](C)SC)C1 1041620267 TXQZFJVITYUWIK-JTQLQIEISA-N 302.396 -0.370 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)C[C@](C)(O)C=C)C1 1042040530 TYODHQZOPSXYRL-CQSZACIVSA-N 312.366 -0.794 30 20 DBED CCn1ncc(C(=O)N2CC(O)(CNC(=O)C#CC3CC3)C2)n1 1042957981 CQODNEMLLGFCDT-UHFFFAOYSA-N 317.349 -0.986 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)Cn2nccc2C)C1 1043083778 AONQHFTUYZMAIF-UHFFFAOYSA-N 322.365 -0.916 30 20 DBED C[C@@H]1CN(C(=O)[C@H]2CCNC2=O)C[C@H]1N=c1cc[nH]c(C#N)n1 1043434008 YOAUPQVKSDAESX-OUAUKWLOSA-N 314.349 -0.835 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)[C@H]2CC(=O)N[C@H](C)C2)C1 1043749954 JLPZIAOERFANSF-VXGBXAGGSA-N 323.393 -0.443 30 20 DBED Cc1conc1C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@@H]1O 1044171623 KOASMFDLPLSXGG-MNOVXSKESA-N 314.305 -0.376 30 20 DBED C=CCCN1CC[C@H](N2CCN(C(=O)Cn3ncnn3)CC2)C1 1046029725 AFDDAISXZIYGDI-AWEZNQCLSA-N 319.413 -0.532 30 20 DBED C#CCN1CC[C@H](N2CCN(C(=O)[C@@]34COC[C@@H]3C4)CC2)C1 1046033098 QYWXNDGUGIHNLQ-ZOBUZTSGSA-N 303.406 -0.125 30 20 DBED N#Cc1nc(=N[C@H]2C[C@@H](CNC(=O)C3=COCCO3)C2)cc[nH]1 1046234618 OPVRZFVYNRWVGP-PHIMTYICSA-N 315.333 -0.035 30 20 DBED C#Cc1cncc(C(=O)NCC2(O)CN(C(=O)[C@H](C)OC)C2)c1 1046332154 LDRROASJNUDJKO-NSHDSACASA-N 317.345 -0.599 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCCS2(=O)=O)C1 1047407086 YWVIWBNRULONQQ-RWMBFGLXSA-N 316.423 -0.357 30 20 DBED Cc1nn(C)c(C)c1CC(=O)N(C)[C@H]1CN(CC#N)C[C@@H]1O 1047474524 DZRUMLMXSVJOHV-KBPBESRZSA-N 305.382 -0.393 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(=O)n2C)C1 1047521420 QWCSPWNFZXMNNN-KBPBESRZSA-N 303.362 -0.474 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)[C@H]1CN(C(=O)[C@H]2CCCO2)C[C@@H]1O 1048852044 CSYUYWPJNGOMKA-XDQVBPFNSA-N 324.377 -0.766 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C2(C)CC2)C1 1048957416 JHDWDGQHSBZOEI-AGIUHOORSA-N 308.378 -0.145 30 20 DBED Cc1ccnc2nc(C(=O)N3C[C@@H]4CN(CC#N)C[C@@H]4C3)nn12 1049199788 AJOUUOAKOGQBHV-TXEJJXNPSA-N 311.349 -0.040 30 20 DBED CC#CCN1C[C@H]2CN(C(=O)CC[C@@H]3NC(=O)NC3=O)C[C@H]2C1 1049206966 NRRNUPKXCSTRNK-XQQFMLRXSA-N 318.377 -0.612 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)Cc2cncs2)C[C@@H]1O 1049402274 SCNRZOBHTCNBNI-USWWRNFRSA-N 322.390 -0.125 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)[C@H]1CCN(C(=O)C(F)F)C1 1049656991 NRTSFHCOLNLXJI-UWVGGRQHSA-N 315.320 -0.256 30 20 DBED C=CCOCC(=O)N1CC[C@H]([C@H](C)NC(=O)c2nc[nH]n2)C1 1050297906 QASMVRWUZRQRFG-QWRGUYRKSA-N 307.354 -0.026 30 20 DBED C=CCN1CCOC[C@H]1CNC(=O)[C@@H]1CCc2nnc(O)n2C1 1050989428 OYSZFGKIHMZPRZ-VXGBXAGGSA-N 321.381 -0.451 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)[C@@H]1CCCc2nn[nH]c21 1051086157 JONLGGQKEHSYPL-VXGBXAGGSA-N 303.366 -0.325 30 20 DBED COc1ccc(C(=O)N2CCOC3(CN(CC#N)C3)C2)nn1 1053497218 XBSRMEZGENFPPQ-UHFFFAOYSA-N 303.322 -0.464 30 20 DBED C#CCCN1CC2(CC[C@H](CNC(=O)[C@H]3COCCO3)O2)C1 1053578204 AVWCMDAFVJOUMQ-ZIAGYGMSSA-N 308.378 -0.225 30 20 DBED C[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1CN=c1cc[nH]c(C#N)n1 1054439763 KZNZIWHKZBVNOG-NXEZZACHSA-N 312.337 -0.292 30 20 DBED C=CCOCC(=O)N1C[C@@H]2CN(C(=O)CC(=O)NCC)C[C@@H]2C1 1055248540 QWACEKRGNWASBI-BETUJISGSA-N 323.393 -0.368 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC[C@](CO)(NC(=O)C2CC2)C1 1055689430 ZWIDSEATKWMUHD-LRDDRELGSA-N 308.378 -0.096 30 20 DBED C[C@H](C#N)C(=O)N[C@]1(CO)CCCN(C(=O)Cc2cnoc2)C1 1056095935 FNSPAOZEGOLGQI-IAQYHMDHSA-N 320.349 -0.154 30 20 DBED Cc1cc(C#N)nc(N2C[C@@H]3C(NC(=O)Cn4cncn4)[C@H]3C2)n1 1056216111 IKQCTGRFBRVHHR-RYUDHWBXSA-N 324.348 -0.501 30 20 DBED N#CCSCC(=O)N1CCC[C@H]2[C@H]1CCN2C(=O)CC(N)=O 1056248963 SPQIGJNAXREDKY-WDEREUQCSA-N 324.406 -0.290 30 20 DBED Cn1cncc1CC(=O)N[C@H]1[C@@H]2CN(c3ccnc(C#N)n3)C[C@@H]21 1056254495 QWFJRRFUUZWAIM-ATCWAGBWSA-N 323.360 -0.125 30 20 DBED CCn1ncc(C(=O)N2CC[C@@H](N=c3cc[nH]c(C#N)n3)C2)n1 1056624327 HVBYAYRDEKLYGS-SNVBAGLBSA-N 312.337 -0.292 30 20 DBED C=CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)[C@@H]1CCCO1 1056898098 NNHNADZNNAEVQR-STQMWFEESA-N 314.382 -0.306 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)c1ccnc(C)n1 1057197977 JMHBYLWOFWPZJT-UHFFFAOYSA-N 322.365 -0.462 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)C[C@@H]1CCNC1=O 1057445312 PKEHSESBOPVJMU-ZDUSSCGKSA-N 323.393 -0.747 30 20 DBED C=CCCOCC(=O)N(CCO)CCNC(=O)[C@H](C)OCC 1057918817 ARWHQRLHNPMRDS-ZDUSSCGKSA-N 316.398 -0.059 30 20 DBED C=CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)COCCC 1057921575 KTGCUPGFWMEAPS-ZDUSSCGKSA-N 316.398 -0.059 30 20 DBED CCc1cc(C(=O)NCCN(CCO)C(=O)[C@H](C)C#N)nn1C 1058663566 WVJADYYHQNYDNC-LLVKDONJSA-N 321.381 -0.307 30 20 DBED C[C@@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(c1ccc3nnnn3n1)C2 1058734101 DTZRPOKXWLZBFG-DCAQKATOSA-N 312.337 -0.141 30 20 DBED CS(=O)(=O)CC(=O)N1CC[C@H](Nc2cnc(C#N)cn2)C1 1058847854 QOXPHYONTXSJHT-VIFPVBQESA-N 309.351 -0.594 30 20 DBED C=C(C)C[C@@H](C)C(=O)NCCN(CCO)C(=O)Cn1cncn1 1058885315 LFEZVFRQGYMOJO-CYBMUJFWSA-N 323.397 -0.183 30 20 DBED C=CCCC(=O)NC[C@H]1COCCN1C(=O)CNC(=O)OC 1061395866 CMJKECKMMFBQET-NSHDSACASA-N 313.354 -0.348 30 20 DBED O=C(Cn1ccnc1)NC[C@H]1COCCN1C(=O)C#CC1CC1 1061682455 KNUYSYMIQWZGJL-AWEZNQCLSA-N 316.361 -0.360 30 20 DBED N#Cc1nccnc1NCC[C@H]1CCCN(C(=O)C(N)=O)C1 1063293372 UWNPFZDSIKUSRK-SNVBAGLBSA-N 302.338 -0.126 30 20 DBED C#CCOCCC(=O)NC1(CNC(=O)Cn2cncn2)CCC1 1064595506 AVYYJLLNEIKPQB-UHFFFAOYSA-N 319.365 -0.527 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)c2cc(=O)n(C)o2)CCO1 1065086955 GKIGTSMWPSWOJG-NSHDSACASA-N 323.349 -0.098 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)[C@H]2COC(=O)N2)CCO1 1065108407 RTXXQBNWLBEDQS-VXGBXAGGSA-N 323.349 -0.902 30 20 DBED Cc1c[nH]nc1C(=O)N1CCO[C@H](CNC(=O)[C@@H](C)C#N)C1 1065133149 PCKMMAIPGJKPFM-GXSJLCMTSA-N 305.338 -0.165 30 20 DBED C=CCCCC(=O)N1CCO[C@H](CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 1065548569 OQGFUIARGCKWLY-UPJWGTAASA-N 323.393 -0.192 30 20 DBED Cc1ccnn1CC(=O)NC[C@@H]1CN(C(=O)[C@@H](C)C#N)CCO1 1065556937 LOEAOPRKHSDECQ-WCQYABFASA-N 319.365 -0.305 30 20 DBED N#Cc1cnccc1N1CCOC[C@H]1CNC(=O)c1nc[nH]n1 1066495169 OHNSZUVJXAJCOT-LLVKDONJSA-N 313.321 -0.293 30 20 DBED C[C@@H]1CN(C(=O)Cn2cncn2)C[C@@H]1Nc1cnc(C#N)cn1 1067098566 LYYNPOQDKDJJTR-PWSUYJOCSA-N 312.337 -0.101 30 20 DBED Cn1cnc(C(=O)NC[C@H]2[C@@H]3CN(c4nccnc4C#N)C[C@H]23)n1 1068171497 ZOOQFDRZRGAGPE-RTCCRHLQSA-N 324.348 -0.411 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC2(C[C@H](NC(=O)CCOC)CO2)C1 1068648070 JIUOGSBVMHEXEU-STQMWFEESA-N 324.377 -0.453 30 20 DBED CNC(=O)CC(=O)N[C@H]1COC2(C1)CN(C(=O)C#CC(C)C)C2 1068826784 NEJUKBLHBIXDNS-GFCCVEGCSA-N 321.377 -0.732 30 20 DBED C[C@H](C#N)C(=O)N1CC2(C[C@H](NC(=O)CC3(O)CCC3)CO2)C1 1068854553 DUVDPKCMFURHGF-NEPJUHHUSA-N 321.377 -0.063 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H]2CCCN2C)C1 1069902333 RKOQPSYUWNJRNN-RDBSUJKOSA-N 304.398 -0.100 30 20 DBED C#CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2ncccn2)C1 1070060451 XJIUWZHHIKLXIW-OLZOCXBDSA-N 311.349 -0.253 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)c4nccnc4N)C[C@@]3(C1)O2 1070778114 KIDSCDWLQBNKHL-HWWQOWPSSA-N 313.361 -0.393 30 20 DBED N#CCN1C[C@H]2C[C@H]3CN(C(=O)CCn4ccnn4)C[C@@]3(C1)O2 1070793569 KWDDJXHYZPEPOP-GZBFAFLISA-N 316.365 -0.507 30 20 DBED CC#CCN1C[C@H]2C[C@H]3CN(C(=O)Cc4nc[nH]n4)C[C@@]3(C1)O2 1070877808 VDFHKCJFWBXCJT-WOSRLPQWSA-N 315.377 -0.328 30 20 DBED C[C@](O)(CC(=O)N1CCC(=O)NCCN(CC#N)CC1)C1CC1 1070956296 KPWQZQHQJVNWPU-INIZCTEOSA-N 322.409 -0.288 30 20 DBED N#CCN1CCN([C@H]2CCCN(C(=O)c3ccon3)C2)C(=O)C1 1071255028 CMSDYDORNFLNBB-LBPRGKRZSA-N 317.349 -0.053 30 20 DBED C=C(C)CN1C[C@H](NC(=O)Cn2cnc(C(N)=O)n2)CC[C@H]1C 1071517657 JPXMKGKYZJQRFX-VXGBXAGGSA-N 320.397 -0.078 30 20 DBED C[C@H]1CN(C(=O)CNC(N)=O)C[C@H]1NC(=O)C#CC(C)(C)C 1071573658 HEWXIYJUUWFDRU-WDEREUQCSA-N 308.382 -0.333 30 20 DBED C=CCCC(=O)N1C[C@@H](NC(=O)CN2CCOCC2=O)[C@H](C)C1 1071777743 LNQQFDNDOOOEPT-CHWSQXEVSA-N 323.393 -0.226 30 20 DBED C=CCOCC(=O)N1C[C@H](C)[C@H](NC(=O)CCNC(N)=O)C1 1071812570 UXVWWNKWZOFUMM-WDEREUQCSA-N 312.370 -0.790 30 20 DBED C#CCOCCC(=O)N1C[C@H](C)[C@H](NC(=O)CCN(C)C)C1 1072101805 QSVYVMWTRJQQBN-UONOGXRCSA-N 309.410 -0.059 30 20 DBED CC(=O)N1CC[C@H](C(=O)NC[C@H]2CN(CC#N)CCCO2)C1 1073871536 JEXGBEYFJVEZGQ-KBPBESRZSA-N 308.382 -0.415 30 20 DBED C=CCN1CCO[C@H]2CCN(C(=O)CN3CCCNC3=O)C[C@@H]21 1074285074 UXSSCJYLBBPHRY-KBPBESRZSA-N 322.409 -0.111 30 20 DBED C=CCOCC(=O)N1CC[C@@H](NC(=O)CC(=O)NC)C[C@H]1C 1074951502 RIOWXUDRTNLCSU-VXGBXAGGSA-N 311.382 -0.179 30 20 DBED C=C(C)CN1C[C@@H]2CCN(C(=O)c3cn(CC(N)=O)nn3)[C@@H]2C1 1076607476 HHPGFMVNTASFTA-WCQYABFASA-N 318.381 -0.514 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3nncn3CC2)C1 1077412212 PTECJKCBIXYCRY-BFHYXJOUSA-N 319.409 -0.032 30 20 DBED Cn1cnc(C(=O)N2C[C@H]3CC[C@H]2[C@@H](NCC#N)C3)cc1=O 1078970922 IPSFHTFFSMGWHL-GVXVVHGQSA-N 301.350 -0.113 30 20 DBED CC#CCCCC(=O)N1CC(N(CC)C(=O)CNC(N)=O)C1 1079276776 BFYIODADSABOSS-UHFFFAOYSA-N 308.382 -0.092 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2ccncc2)C[C@H]1O 1081343391 BRIGLJOWAUGWBW-ZIAGYGMSSA-N 319.361 -0.167 30 20 DBED C=C(Cl)CN1C[C@@H](NC(=O)[C@H]2COCCO2)[C@H](OC)C1 1081384540 ZWIGGIVZSXRRGD-IJLUTSLNSA-N 304.774 -0.030 30 20 DBED C#CCCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CC(C)(C)O)C1 1081450591 VXYCKYKYMPCNON-QWHCGFSZSA-N 310.394 -0.114 30 20 DBED C=CCCC1(C(=O)N2C[C@H](CNC(=O)C(N)=O)[C@@H](O)C2)CC1 1081719285 PBKJXJALIFGRIR-QWRGUYRKSA-N 309.366 -0.846 30 20 DBED CC#CCN1C[C@@H](NC(=O)c2cnc3[nH]nnc3c2)[C@H](OC)C1 1081804202 SSXMCVAFVGLQQY-CHWSQXEVSA-N 314.349 -0.195 30 20 DBED C#CCN1C[C@@H](NC(=O)Cn2nnc3c2CCCC3)[C@H](OC)C1 1082141639 ZPRLGQUTBLJKIP-UKRRQHHQSA-N 317.393 -0.395 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1cncn1C 1082148840 SYYWYOBHARFLOW-HKUMRIAESA-N 303.366 -0.137 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1n[nH]c(C)c1O 1083052162 DHSBIBPHLNHEFI-NWDGAFQWSA-N 304.350 -0.028 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2ccc(-c3cn[nH]c3)cn2)C1 1083582485 QERHMWWKQYHCGH-CABCVRRESA-N 311.345 -0.120 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)[C@@H]3CN(C(C)=O)CCO3)[C@@H]2C1 1084806135 ABFJYAVSCHFKBI-KFWWJZLASA-N 305.378 -0.600 30 20 DBED CN(C[C@H]1CCN1CC#N)C(=O)[C@@H]1CCN(C)S1(=O)=O 1085868551 STYFJXXGZMBVCQ-MNOVXSKESA-N 300.384 -0.923 30 20 DBED C#CCN[C@@H]1CC[C@H](CNC(=O)c2cn(C)c(=O)nc2O)C1 1086873429 HPVKVWCUBARVMF-WDEREUQCSA-N 304.350 -0.393 30 20 DBED CC#CCN1CC[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)[C@H]1C 1088606043 WPLRKYLNJNTRIG-OLZOCXBDSA-N 318.377 -0.851 30 20 DBED N#Cc1cnccc1N1CCCO[C@@H](CNC(=O)CC(N)=O)C1 1089533131 YJGUNFXPLBKLPA-LBPRGKRZSA-N 317.349 -0.460 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2cn3c(n2)COCC3)[C@H](O)C1 1090360066 IZGOWHAYIQKDPH-TZMCWYRMSA-N 318.377 -0.398 30 20 DBED C=CCN1CC[C@H](NC(=O)CC2CS(=O)(=O)C2)[C@@H](O)C1 1090373935 KHJYDDMYVHGCMW-RYUDHWBXSA-N 302.396 -0.842 30 20 DBED C#CCN1CC[C@H](NC(=O)c2nnc3ccccc3n2)[C@H](O)C1 1090434555 ZTGRTKNSMOXVQJ-UONOGXRCSA-N 311.345 -0.177 30 20 DBED COc1ccc(CC(=O)N[C@H]2CCN(CC#N)C[C@@H]2O)nc1 1090509671 GVHAKYOAHHSZDV-KBPBESRZSA-N 304.350 -0.292 30 20 DBED C#CCN1CC[C@@H](NC(=O)Cc2ncccc2OC)[C@H](O)C1 1090520603 QFFXFOGYTUDRHE-TZMCWYRMSA-N 303.362 -0.183 30 20 DBED C#CCN1CC[C@H](NC(=O)Cn2c(C)cc(C)nc2=O)[C@H](O)C1 1090674421 UXARHCLTOWQHIB-UONOGXRCSA-N 318.377 -0.955 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2cnn(C)c2OC)[C@H](O)C1 1090759101 CUDAGPXYNCNRRX-CHWSQXEVSA-N 306.366 -0.383 30 20 DBED N#Cc1cnc(N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)CNC(N)=O)cn1 1092800170 ZPLXQNTZNWWTTR-VWYCJHECSA-N 315.337 -0.758 30 20 DBED N#Cc1nc(=NCCNC(=O)c2cnc3cccnn23)cc[nH]1 1094160307 INQVEIIQJOVYQD-UHFFFAOYSA-N 308.305 -0.345 30 20 DBED C[C@H]1OCC[C@H]1C(=O)NCc1cn(C2CN(CC#N)C2)nn1 1094330421 IOYDNJIPBBBOEU-ZWNOBZJWSA-N 304.354 -0.300 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)c3cnc(C)cn3)CC2=O)C1 1094698440 CLLGXPLRDAVAQW-LBPRGKRZSA-N 313.361 -0.567 30 20 DBED C[C@]1(C(=O)NCCCNc2ccc(C#N)nn2)CCNC1=O 1094781314 VFQPUSZLPPYOIH-CQSZACIVSA-N 302.338 -0.207 30 20 DBED CS(=O)(=O)CCC(=O)NCCCNc1ccc(C#N)nn1 1094877497 UCTKNBCFFUVRGU-UHFFFAOYSA-N 311.367 -0.299 30 20 DBED N#Cc1cncc(N[C@@H]2CCCN(C(=O)CCNC(N)=O)C2)n1 1095295802 JOWSVRJTDKXULO-SNVBAGLBSA-N 317.353 -0.190 30 20 DBED N#Cc1cncc(N2CC[C@@H](NC(=O)CCNC(N)=O)C2)n1 1096377501 BMLSIIYAZISUKY-SECBINFHSA-N 303.326 -0.898 30 20 DBED CNC(=O)C1(C(=O)N[C@H]2C[C@H](N=c3cc[nH]c(C#N)n3)C2)CC1 1097044428 OMPMVHWLVYEHBX-MGCOHNPYSA-N 314.349 -0.645 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1C[C@@H](NC(=O)CNC(=O)C2CC2)C1 1097155112 AFWCIEOCMISUPD-BETUJISGSA-N 313.361 -0.040 30 20 DBED CNC(=O)NCC(=O)N[C@H]1C[C@@H](Nc2nccnc2C#N)C1 1097259085 LQLUKIVBVGLYQI-DTORHVGOSA-N 303.326 -0.664 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCNC(=O)C1)N=c1cc[nH]cc1C#N 1097774262 PGMZNKCBPRZVGH-QWRGUYRKSA-N 301.350 -0.182 30 20 DBED C[C@@H](CNC(=O)C[C@H]1CCNC1=O)N=c1cc[nH]cc1C#N 1098098199 VRODWDZKOFJULK-WDEREUQCSA-N 301.350 -0.182 30 20 DBED C[C@H](CNC(=O)[C@H]1CCNC(=O)CC1)N=c1cc[nH]c(C#N)n1 1098170544 AJNXSKZPHAHESS-GHMZBOCLSA-N 316.365 -0.397 30 20 DBED C=CCN(CCO)C1CCN(C(=O)[C@@H]2CC(=O)N(C)C2)CC1 1098384191 MYNYKKQZVATMQZ-CYBMUJFWSA-N 309.410 -0.064 30 20 DBED CN1C[C@H](C(=O)N2CCC(N(CC#N)CCO)CC2)CC1=O 1098384228 NZWIZDYPRGMUJP-GFCCVEGCSA-N 308.382 -0.726 30 20 DBED N#Cc1ccc(NC[C@@H]2CCN(C(=O)CCNC(N)=O)C2)nn1 1098528963 GIHLQVASMXYSDA-JTQLQIEISA-N 317.353 -0.333 30 20 DBED C#CCNCc1cn([C@@H]2CCN(C(=O)[C@H](C)NC(C)=O)C2)nn1 1098607889 IFOYLRLPJUXZGI-SMDDNHRTSA-N 318.381 -0.701 30 20 DBED N#CCNCc1cn([C@H]2CCN(C(=O)c3csnn3)C2)nn1 1098695369 UNCRPVLTGWYWKE-JTQLQIEISA-N 318.366 -0.170 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)C=C2CCC2)[C@@H](O)C1 1099764110 PYBIQVAKWRMAGX-KBPBESRZSA-N 307.394 -0.050 30 20 DBED CCNC(=O)CN1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H](O)C1 1099775870 LEHQXLAHYCUMNO-AAEUAGOBSA-N 319.365 -0.813 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)Cc2cscn2)C1 1100734988 IECCDLQEIBMHMA-UHFFFAOYSA-N 320.418 -0.081 30 20 DBED C=CCCNC1CC(CNC(=O)CN2CCC(=O)NC2=O)C1 1100836697 GQDQBPMBPQEISL-UHFFFAOYSA-N 308.382 -0.011 30 20 DBED C[C@H]1C[C@@H](C(=O)N(C)CCN=c2cc[nH]c(C#N)n2)CC(=O)N1 1101839369 QKRXZJXOFCLOOL-WDEREUQCSA-N 316.365 -0.445 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1CNC(=O)CC[C@H]1NC(=O)NC1=O 1102563376 VRTBUYKRJFUYFE-GMTAPVOTSA-N 307.354 -0.818 30 20 DBED CO[C@H](C(=O)NC[C@@H](O)CNc1cncc(C#N)n1)C1CC1 1105834396 YHQFNYJIBXYKLJ-AAEUAGOBSA-N 305.338 -0.338 30 20 DBED C[C@@H](CCN=c1cc[nH]cc1C#N)NC(=O)CS(C)(=O)=O 1106238955 IJXGKSMJIDDFKF-JTQLQIEISA-N 310.379 -0.274 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCN=c1cc[nH]cc1C#N 1106285696 WEVLMNMAGDVZJP-LBPRGKRZSA-N 313.361 -0.179 30 20 DBED C=CCN1CC(n2cc(CNC(=O)Cc3cnn(C)c3)nn2)C1 1107142578 KGDCVRRRGLXPCG-UHFFFAOYSA-N 315.381 -0.087 30 20 DBED N#Cc1nc(=NC/C=C/CNC(=O)CO[C@@H]2CCOC2)cc[nH]1 1107357116 FHGLULQNEOEOBM-YYRQZUAOSA-N 317.349 -0.340 30 20 DBED CN1C[C@@H](C(=O)NC/C=C/CNc2cncc(C#N)n2)NC1=O 1107451890 RPNNKILDOANQPZ-VUDBWIFFSA-N 315.337 -0.544 30 20 DBED N#Cc1cncc(NC/C=C/CNC(=O)c2c[nH]c(=O)cn2)n1 1107490566 KPTAHDMIILBUTC-OWOJBTEDSA-N 311.305 -0.170 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@]1(C)CN(CCCO)CCO1 1107903573 WGUXVJCWNDXHDR-GJZGRUSLSA-N 300.399 -0.097 30 20 DBED C=CCN1CCO[C@](C)(CNC(=O)[C@H](C)S(C)(=O)=O)C1 1108029370 VILFTIVSIUJODG-WCQYABFASA-N 304.412 -0.187 30 20 DBED C=CCN1CCO[C@](C)(CNC(=O)[C@@H]2CCS(=O)(=O)C2)C1 1108058116 SQLVERLWPKCIEA-TZMCWYRMSA-N 316.423 -0.186 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)CC(=O)NCC1CC1 1108505561 VWIQTHMUOJSUQI-JTQLQIEISA-N 316.365 -0.397 30 20 DBED N#CCN1CC(N2C[C@H](NC(=O)CC3(O)CCC3)CC2=O)C1 1108545523 XSTSGCCAMTYPJD-LLVKDONJSA-N 306.366 -0.784 30 20 DBED CS(=O)(=O)CC(=O)N[C@H](CNc1cncc(C#N)n1)C1CC1 1109768452 IHJBNXSYOFXSKI-LLVKDONJSA-N 323.378 -0.300 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN(C)C(C)=O 1110303973 HJCQLDMDZSDGKR-KFWWJZLASA-N 307.394 -0.164 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cn(C)nn1 1110521672 RXZUOFSRUAEWHA-BZPMIXESSA-N 303.366 -0.200 30 20 DBED N#Cc1nc(=NC[C@@H](NC(=O)C(N)=O)C2CCCC2)cc[nH]1 1110679694 XLAAAEHADALZJL-SNVBAGLBSA-N 302.338 -0.658 30 20 DBED COc1ccnc(N2CC[C@](O)(CNC(=O)[C@H](C)C#N)C2)n1 1111041538 IYJLJELEEYMUMA-YGRLFVJLSA-N 305.338 -0.298 30 20 DBED N#Cc1nccc(N2CC[C@@](O)(CNC(=O)[C@@H]3CCOC3)C2)n1 1111044191 UADTWCDQAGYAAF-IAQYHMDHSA-N 317.349 -0.558 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H]2CN(c3ncccn3)C[C@@H]2C1 1111293361 AZXHCZMUFZVYSG-BETUJISGSA-N 313.361 -0.489 30 20 DBED C=CCNC(=O)NC(=O)CN1CCN(C(=O)CC2CC2)CC1 1112595831 VTOHWFVNSHCBBL-UHFFFAOYSA-N 308.382 -0.058 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(c2ncc(F)cn2)C[C@@H]1O 1112721134 VNYCKZGJPWJLFH-AAEUAGOBSA-N 304.325 -0.058 30 20 DBED N#Cc1nccnc1NCC1CC(NC(=O)C2(C(N)=O)CC2)C1 1112869315 YHLBTRMMJBSQFA-UHFFFAOYSA-N 314.349 -0.080 30 20 DBED C[C@H](NC(=O)CCn1cnnn1)[C@H](C)Nc1cnc(C#N)cn1 1113125061 SPECVOPIGKGXGV-UWVGGRQHSA-N 315.341 -0.270 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)CC2=CCOCC2)CC1 1113302870 ANILXMJVBBSKPG-UHFFFAOYSA-N 305.378 -0.383 30 20 DBED CC[C@H](C(=O)N1CCN(CC(=O)NCC#N)CC1)N(CC)CC 1113336633 GACLNNOQOUTKDF-CQSZACIVSA-N 323.441 -0.109 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)c3cccc(O)n3)[C@@H]2C1 1114101754 VNHILJXCXDDVCI-GHMZBOCLSA-N 314.345 -0.803 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H]1[C@@H]2CN(CC(=O)N(C)C(C)C)C[C@@H]21 1114271192 QSQCGLCOAMKHEU-TTZDDIAXSA-N 321.421 -0.062 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)[C@@]3(COC)CCOC3)[C@H]2C1 1114630403 ZKVCSPBLMUHJII-WBTNSWJXSA-N 322.405 -0.264 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1[C@@H]2CN(CCOCCO)C[C@@H]12 1114857054 QGQCEQYZMPGZBR-SYQHCUMBSA-N 310.394 -0.367 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)Cc3nonc3C)[C@@H]2C1 1115048789 CRCFSPKSCJBREH-GHMZBOCLSA-N 319.365 -0.731 30 20 DBED C#CCN1C[C@H]2C(NC(=O)COc3ccc(C(N)=O)cc3)[C@@H]2C1 1115261301 ODEPIPXEQIZOFQ-ZIAGYGMSSA-N 313.357 -0.156 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)c3nonc3C)[C@H]2C1 1115346314 UMMHHSOTTVIKID-DCQANWLSSA-N 317.349 -0.824 30 20 DBED C[C@H](C#N)C(=O)NCCOCCCN=c1cc[nH]c(C#N)n1 1115390695 LKPRDKJDEKZAGV-LLVKDONJSA-N 302.338 -0.135 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N[C@@H]2CCCOCC2)nn1 1118112073 FQLIIXOUFXXKRY-LLVKDONJSA-N 307.354 -0.234 30 20 DBED C[C@@H](Cn1ccnc1)NC(=O)C(=O)N1CC[C@](O)(CC#N)C1 1118212089 XXIYTYWFDGHASH-SMDDNHRTSA-N 305.338 -0.735 30 20 DBED C[C@H](O)CC(C)(C)CNC(=O)C(=O)N1CCN(CCC#N)CC1 1119137830 KFKXLKCDBCLGLF-ZDUSSCGKSA-N 324.425 -0.042 30 20 DBED Cc1cnc(C(=O)NC[C@H](CO)Nc2ccc(C#N)nn2)cn1 1121151807 XVIREVPEERGHDK-LLVKDONJSA-N 313.321 -0.351 30 20 DBED N#Cc1nccnc1N[C@@H](CO)CNC(=O)c1cccc(O)n1 1121426447 RIQFKUJTJFQPLT-SECBINFHSA-N 314.305 -0.348 30 20 DBED C=CCn1c(N(C)CCC(=O)NC)nnc1[C@]1(C)CNC(=O)C1 1121496270 BUDRAMOKSMONNI-HNNXBMFYSA-N 320.397 -0.186 30 20 DBED Cc1cc(C#N)nc(N[C@@H](CO)CNC(=O)CCCC(N)=O)n1 1121712483 ZPWTYHIHEJCJDJ-LLVKDONJSA-N 320.353 -0.799 30 20 DBED N#Cc1nccnc1N[C@@H](CO)CNC(=O)Cc1cncs1 1122153657 QQQRXNMRPLQTLR-SECBINFHSA-N 318.362 -0.064 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)CSC 1123177969 KCWOKUQZLGZNSE-VIFPVBQESA-N 302.400 -0.545 30 20 DBED CN(C[C@H](O)CNc1cnc(C#N)cn1)C(=O)c1ccon1 1124090794 OBBSCROMKOVMFG-SNVBAGLBSA-N 302.294 -0.119 30 20 DBED C=C[C@](C)(O)CC(=O)NCCNCC(=O)NC(=O)NCCC 1126365577 LBCROFXHWQDWJK-AWEZNQCLSA-N 314.386 -0.745 30 20 DBED CC(C)C#CC(=O)NCCNCC(=O)N1CCC[C@H](C(N)=O)C1 1126834399 QDXKVTRAMRSLBB-ZDUSSCGKSA-N 322.409 -0.925 30 20 DBED COCC#CCNCCNC(=O)[C@@H](C)NC(=O)c1ccoc1 1128004908 OOKZJUUBPUPEIV-GFCCVEGCSA-N 307.350 -0.247 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CN(C(C)=O)C[C@@H]1n1ccnn1 1129521932 XWGRNALEOGSVSC-RTXFEEFZSA-N 306.370 -0.670 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1cnc2n1CCC2 1129775522 QDICCRDKDNGKBY-LLVKDONJSA-N 303.366 -0.713 30 20 DBED C[C@H]1CN(C(=O)CNC(=O)C2CC2)C[C@]2(CCN(CC#N)C2)O1 1131631047 BBTPCVNZBNOJLK-BLLLJJGKSA-N 320.393 -0.272 30 20 DBED C[C@@H]1CC[C@@H](NC(=O)c2cn[nH]c2)CN1CC(=O)NCC#N 1131826270 OOSFUPOQWMUEOC-ZYHUDNBSSA-N 304.354 -0.368 30 20 DBED C=CCN1C[C@@H](NC(=O)CNC(=O)CNC(C)=O)CC[C@@H]1C 1132139813 BXLHTIDRRQXKHP-AAEUAGOBSA-N 310.398 -0.606 30 20 DBED C[C@@H]1CC[C@H](NC(=O)CCCN2C(=O)CNC2=O)CN1CC#N 1132478726 NREYBOLYRGXCJI-NEPJUHHUSA-N 321.381 -0.189 30 20 DBED C[C@H]1CCN(C(=O)c2cnc(O)n(C)c2=O)C[C@H]1CNCC#N 1133026776 OVFFDHDQOFDTRP-WDEREUQCSA-N 319.365 -0.303 30 20 DBED C=C(C)CN(CC)C(=O)[C@@H](C)NCCNC(=O)C1(C(N)=O)CC1 1133193742 YRXVLMZYPMZBKI-GFCCVEGCSA-N 324.425 -0.229 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)CSCC#N)NCc1nnnn1C 1133735663 GBSDBOKWFVHFJP-VHSXEESVSA-N 311.415 -0.160 30 20 DBED C=CCCN[C@H](C)C[C@H](C)NC(=O)Cn1cnc(C(N)=O)n1 1134399095 KCLULXXDLNTZJG-MNOVXSKESA-N 308.386 -0.174 30 20 DBED COc1c(O)nc(O)nc1C(=O)N[C@H](C)C[C@H](C)NCC#N 1135919534 FFADGHRJVDJIRU-JGVFFNPUSA-N 309.326 -0.094 30 20 DBED COC(=O)C1(C#N)CCN(C(=O)CCCS(N)(=O)=O)CC1 1144588291 ULGTVLHRMAWDRI-UHFFFAOYSA-N 317.367 -0.640 30 20 DBED COCC#CCN1CCC2(C1)CN(C(=O)c1cnn(C)c1N)C2 1147361954 FKHWHNTWBSZJPA-UHFFFAOYSA-N 317.393 -0.200 30 20 DBED N#CCNC(=O)CN1CCCO[C@H](CNC(=O)c2ccon2)C1 1149273020 ROAWMMXSXVDQRD-LLVKDONJSA-N 321.337 -0.865 30 20 DBED COCCC1(NC(=O)[C@H]2COCCO2)CCN(CC#N)CC1 1150964800 HXYZUTBNOKSVSQ-CYBMUJFWSA-N 311.382 -0.087 30 20 DBED C#CCN1CCC(C(=O)NCCNCCn2cccn2)CC1 1152330190 IJRCDNMIUGSJCV-UHFFFAOYSA-N 303.410 -0.066 30 20 DBED C=C(C)CN(CC)C(=O)CNCCNC(=O)CCCC(N)=O 1153455272 FPZPLBUIQXNAAD-UHFFFAOYSA-N 312.414 -0.228 30 20 DBED C#CCNC(=O)[C@H](C)NCC1(CCNC(=O)CCN(C)C)CC1 1166985486 AAIBDHDLKPELBR-AWEZNQCLSA-N 322.453 -0.048 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1cnn(CCC)c1 1167449081 MGBIZZSHCUUJGC-UHFFFAOYSA-N 305.382 -0.248 30 20 DBED C=CCNC(=O)CNCCCNC(=O)COC[C@H]1CCOC1 1167528541 YNFLJVHPUUVZMJ-ZDUSSCGKSA-N 313.398 -0.562 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)c2ccncn2)C1=O 1168814540 MPTJXMQOQMZZQD-ZDUSSCGKSA-N 303.366 -0.027 30 20 DBED C#CCNC(=O)CNCCCC[C@H](C)NC(=O)CC(=O)NCC 1170302731 CDMMRZWYOOLLPM-ZDUSSCGKSA-N 324.425 -0.473 30 20 DBED N#CCNC(=O)CNCCCNC(=O)c1noc2c1COCC2 1176593109 JDEOIVYAOHDBLG-UHFFFAOYSA-N 321.337 -0.903 30 20 DBED N#CCNC(=O)CN1CCO[C@H]2CCN(C(=O)CC3CC3)C[C@H]21 1176883232 WQTAAINVTHEAIN-KGLIPLIRSA-N 320.393 -0.272 30 20 DBED C=CCOCCN1CCO[C@H]2CCN(C(=O)CC(N)=O)C[C@H]21 1176949555 PKMHZBLIEKUPBX-OLZOCXBDSA-N 311.382 -0.634 30 20 DBED CNC(=O)CC(=O)N1CC[C@H]2OCCN(CC#CCOC)[C@@H]2C1 1176995283 UKIXKFFHEZAGHW-ZIAGYGMSSA-N 323.393 -0.926 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)CCc2nc[nH]n2)[C@H]1C 1178435064 VTMBDHAJCVJJRO-RYUDHWBXSA-N 318.381 -0.934 30 20 DBED CC[C@H](C(=O)N1CC[C@@H](NCC(=O)NCC#N)C1)N(CC)CC 1185609817 PMIOVVMMBUQNGM-ZIAGYGMSSA-N 323.441 -0.063 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@@H](NC[C@@H](O)COC)C2)cn1 1187213942 UBHQFYQXIQVNCX-HUUCEWRRSA-N 303.362 -0.126 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC[C@H](N(C)CC(=O)NC)C1 1192687407 GHBSNAHJEPQFDS-UONOGXRCSA-N 324.425 -0.264 30 20 DBED CCCCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C#CC2CC2)C1 1192770600 NBNKTEQWWRBVFG-ZIAGYGMSSA-N 307.394 -0.523 30 20 DBED CN(CC(=O)NCC#N)[C@@H]1CCN(C(=O)C[C@H]2CCCOC2)C1 1194061002 RPGKEFVKSZPTCB-ZIAGYGMSSA-N 322.409 -0.024 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@H](CC)N2CCCC2=O)C1 1198834403 IMVBNEAEPMZVMD-HZSPNIEDSA-N 307.394 -0.428 30 20 DBED C=CCCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3nncn3C2)C1 1198998089 SMNLALMSZZFSHH-BFHYXJOUSA-N 319.409 -0.032 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)C(C)(C)NC(=O)NC)C1 1199042439 BDDOYBBXAHJHLQ-VXGBXAGGSA-N 312.414 -0.179 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)C(C)(C)CS(C)(=O)=O)C1 1199318535 WCYIVWSKKZLIPI-VXGBXAGGSA-N 318.439 -0.205 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CCN(C(=O)[C@H]2COCCO2)CC1 1199401076 RCOFYMZDIRDNBK-TZMCWYRMSA-N 323.393 -0.880 30 20 DBED C#CCNC(=O)[C@H](C)NC1CCN(C(=O)[C@H](C)COC)CC1 1199796773 JXRIPTAKIOSPTC-OLZOCXBDSA-N 309.410 -0.013 30 20 DBED C=CCNC(=O)CNC[C@@H]1CN(C(=O)c2ccon2)CCCO1 1199988282 GVEZQXLITNNFEE-GFCCVEGCSA-N 322.365 -0.203 30 20 DBED N#CCNC(=O)CNC[C@H]1CN(C(=O)c2cocn2)CCCO1 1200093345 UIIWAOBBOKGCMI-NSHDSACASA-N 321.337 -0.865 30 20 DBED C#CCCCC(=O)N1CCCO[C@H](CNCc2nnn(C)n2)C1 1200404024 GNNXQFVMNWHLNS-CYBMUJFWSA-N 320.397 -0.279 30 20 DBED C=CCOCCNC[C@@H]1CN(C(=O)c2cnn[nH]2)CCCO1 1200865949 NTFFQVWEWUQEQU-GFCCVEGCSA-N 309.370 -0.172 30 20 DBED C#CCNC[C@@H]1CN(C(=O)C[C@@H]2CCCC(=O)N2)CCCO1 1200929987 KDCXCEYLJGXQTO-UONOGXRCSA-N 307.394 -0.115 30 20 DBED C=CCCOCC(=O)N1CCCO[C@@H](CN[C@H](C)C(N)=O)C1 1202208404 NPVHUUDDDWNVFZ-OLZOCXBDSA-N 313.398 -0.340 30 20 DBED COCCCNC(=O)CN1C[C@@H](NC(=O)[C@H](C)C#N)[C@H](C)C1 1206641502 UWYUDXLNCBVTIZ-JHJVBQTASA-N 310.398 -0.265 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)c1ccc(F)cn1 1206886656 BIPQIEKWVUEFEM-ZWNOBZJWSA-N 319.340 -0.089 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)[C@H](C)NC(C)=O)C1 1207178890 SPDGJXYVGLSJQK-AAEUAGOBSA-N 310.398 -0.606 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@H](NCc2n[nH]c(C)n2)C1 1207871809 CCWGFPKJFICSSK-LBPRGKRZSA-N 318.381 -0.667 30 20 DBED CC(C)C#CC(=O)N1CCC[C@H](NCc2nc(=O)n(C)[nH]2)C1 1207996095 ZCFOFDBPTWYIBH-LBPRGKRZSA-N 305.382 -0.152 30 20 DBED COc1nc(C(=O)N2CCC[C@H](NCC(=O)NCC#N)C2)co1 1208771215 XGWRSCZRLYEMLJ-JTQLQIEISA-N 321.337 -0.483 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)c2[nH]nnc2C)C1 1208899668 COUURCNZGZGESA-LLVKDONJSA-N 304.354 -0.943 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCCN(C(=O)Cc2cnc[nH]2)C1 1209837276 PAMZVRFELPOUOV-QWHCGFSZSA-N 317.393 -0.329 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)c2cncnc2)[C@H](OC)C1 1212149674 DTBKWGZLDLIMJX-CHWSQXEVSA-N 319.365 -0.792 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(CCC(C)C)C[C@H]1OC 1212152491 RPXWQICIMGJQBL-ZIAGYGMSSA-N 309.410 -0.013 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)[C@H](F)C(C)C)[C@H](OC)C1 1213300070 JWDOBRVEOPAPJJ-YRGRVCCFSA-N 313.373 -0.455 30 20 DBED C#CCN1C[C@@H](NC(=O)CC[C@]2(C)CCC(=O)N2)[C@H](OC)C1 1214005270 NFANVPWJSUUZKF-XJKCOSOUSA-N 307.394 -0.116 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)CN2CCCC2=O)C[C@H]1C 1214107031 AHGDTHYJRRINPU-ZIAGYGMSSA-N 307.394 -0.305 30 20 DBED C#CCOCCC(=O)N1C[C@@H](NCCn2cncn2)[C@H](C)C1 1214611075 NQVPQDMJWUAUKS-ZIAGYGMSSA-N 305.382 -0.246 30 20 DBED CC#CCN[C@@H]1CN(C(=O)CS(=O)(=O)N(C)C)C[C@H]1C 1216614154 MBTRSIKKGCXIRE-VXGBXAGGSA-N 301.412 -0.662 30 20 DBED C=CCCC(=O)N[C@@H]1CN(CC(=O)NCCOCC)C[C@@H]1O 1219332869 JHFZTGMKSKZYFN-OLZOCXBDSA-N 313.398 -0.733 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)Cc2ccc(O)nc2)C1 1220023023 VWOFEGFOYKCXTR-KGLIPLIRSA-N 319.361 -0.859 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)CO[C@H](C)c2nccn2C)C1 1220866630 VKFOBKMXOICBAV-MCIONIFRSA-N 320.393 -0.318 30 20 DBED COCC#CCN1CCC(CNC(=O)[C@H](C)CC(N)=O)CC1 1224041299 DCJVLZOTLZZELX-CYBMUJFWSA-N 309.410 -0.024 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)Cc2cncnc2)CC1 1227061587 ZEDNBEYRCSWGQN-UHFFFAOYSA-N 317.393 -0.098 30 20 DBED C[C@H]1CO[C@H](C(=O)NC2CCN(CC(=O)NCC#N)CC2)C1 1228359669 BZSFAHKKNXFVOB-YPMHNXCESA-N 308.382 -0.368 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)Cc1ccnn1C 1233967353 ZKVQMRHXUCOTDM-CQSZACIVSA-N 317.393 -0.755 30 20 DBED C=CCNC(=O)CN(C)CCCNC(=O)[C@@H]1C[C@@H]1C(=O)OC 1235505762 MCTKYDFBTCLIAY-NEPJUHHUSA-N 311.382 -0.464 30 20 DBED C[C@H]1COCCN(C(=O)C(=O)NC2CCN(CC#N)CC2)C1 1262220786 YGLHJPBDWMQUFV-GFCCVEGCSA-N 308.382 -0.415 30 20 DBED C=C(C)Cn1c(C2=NNC(=O)C2)nnc1N1CCN(C)C(=O)C1 1263330538 NNIOKRWIPMMUEB-UHFFFAOYSA-N 317.353 -0.643 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCC[C@H](NC(=O)c2nnn(C)n2)C1 1268216690 NHFQUXOQDFFUOX-MNOVXSKESA-N 321.385 -0.905 30 20 DBED Cc1nnc(S)n(N=Cc2ccc(OCC(N)=O)cc2)c1=O 1317785747 VWLLEJIAMPPROO-UHFFFAOYSA-N 319.346 -0.018 30 20 DBED C#CCN(CC#N)C(=O)C1CCN(c2ccc3nnnn3n2)CC1 1321149973 DEPPOJQSPLUAOE-UHFFFAOYSA-N 324.348 -0.279 30 20 DBED C[C@]1(C#N)CCCN(C(=O)C(=O)NCCCN2CCOCC2)C1 1322836243 JXSWSRPERFHPJL-MRXNPFEDSA-N 322.409 -0.023 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCC[C@H](Cn2ccnn2)C1 1322966591 IJJLMEYTHFTBJE-ZDUSSCGKSA-N 319.365 -0.717 30 20 DBED CC(C)C(=O)NC[C@@H]1CCCN(C(=O)NCC(=O)NCC#N)C1 1323175061 QNUYGJQHAMDWSI-LBPRGKRZSA-N 323.397 -0.180 30 20 DBED CN(C)[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCO[C@H](C#N)C2)C1 1323532469 FRVRLWPUDONPEL-JHJVBQTASA-N 308.382 -0.274 30 20 DBED C=CCCOCCNC(=O)NCC1(O)CCS(=O)(=O)CC1 1324860490 VIPSWUYSHBELLM-UHFFFAOYSA-N 320.411 -0.182 30 20 DBED C#C[C@H](NC(=O)Cn1ncn2nccc2c1=O)[C@H]1CCCO1 1325774660 UZZNJOMPDCFBCD-CMPLNLGQSA-N 301.306 -0.812 30 20 DBED CN1CC[C@](O)(CNC(=O)C(=O)Nc2ccc(C#N)cn2)C1 1327828739 WYFYILOXLUPSSA-AWEZNQCLSA-N 303.322 -0.925 30 20 DBED COCC#CC(=O)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1328228247 KWSGIONELKNYQQ-AWEZNQCLSA-N 307.394 -0.209 30 20 DBED C=CCn1cc(CNC(=O)C(=O)Nc2ccn(CC)n2)nn1 1330317838 GYOSWYNOZOTIPD-UHFFFAOYSA-N 303.326 -0.065 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)NCCCC(=O)N(C)C 1330556293 WJARWOLLTMPFAR-LBPRGKRZSA-N 311.382 -0.484 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCc3nc[nH]c3C2)C1=O 1331738727 OWGKJWIFTBPPNB-UHFFFAOYSA-N 317.305 -0.729 30 20 DBED C=CCCOCCNC(=O)C(=O)N1CC[C@@H](C2OCCO2)C1 1333496975 FGDHQINTAJABQT-GFCCVEGCSA-N 312.366 -0.083 30 20 DBED C=CCn1c([C@H]2CCC(=O)NC2)nnc1N1CCCNC(=O)C1 1339744505 MDHMKHCIRQMXCO-NSHDSACASA-N 318.381 -0.216 30 20 DBED C#CCNCC(=O)N1CCC(CNC(=O)c2cnn(C)c2)CC1 1340651078 OJWGNBQXMQZPKD-UHFFFAOYSA-N 317.393 -0.389 30 20 DBED C#CCOCCNC(=O)C(=O)N1CC(=O)N[C@@H]2CCCC[C@H]21 1342446179 QYFUEKKVIMETKY-VXGBXAGGSA-N 307.350 -0.978 30 20 DBED C[C@@H](CC#N)NC(=O)C(=O)Nc1ccc(OCC(N)=O)cc1 1343334465 DSVILURFDOHQRT-VIFPVBQESA-N 304.306 -0.092 30 20 DBED CN(C)CC(=O)N1CCN(C(=O)c2ccc(C#N)n2C)CC1 1361756169 XJLRVDHXANGYML-UHFFFAOYSA-N 303.366 -0.257 30 20 DBED N#C[C@@H]1CN(C(=O)NC[C@@H]2CCCS(=O)(=O)C2)CCO1 1365181503 LLIHNHOQGROJMQ-WDEREUQCSA-N 301.368 -0.255 30 20 DBED CCNC(=O)CN1CCO[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 1367302070 ULLUULUDTAFIEE-GFCCVEGCSA-N 319.365 -0.547 30 20 DBED CCN(CCNC(=O)[C@H](C)CC(N)=O)C(=O)c1ccc(C#N)[nH]1 1388366250 SKWFSIIKTRXBPU-SNVBAGLBSA-N 319.365 -0.024 30 20 DBED CC[C@H](CNC(=O)c1cn(C)nn1)NC(=O)c1ccc(C#N)[nH]1 1390447231 YKJFSXJWAZGOJG-SECBINFHSA-N 315.337 -0.047 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)CNC(=O)c2cccs2)C1 1398706070 KIHFYGCHXOLNJX-VIFPVBQESA-N 320.374 -0.035 30 20 DBED C[C@@H](C#N)C(=O)NCC1CN(C(=O)COC2CCOCC2)C1 1409176301 WQYVSUDHUKVUAG-NSHDSACASA-N 309.366 -0.084 30 20 DBED COC(=O)CC1(NC(=O)Cn2cc(C#N)c(O)nc2=O)CCC1 1417663622 RZPKQXRNCUUKRA-UHFFFAOYSA-N 320.305 -0.577 30 20 DBED C=C(Cl)CN[C@@H](C)CNC(=O)CCn1ncn(C)c1=O 1441922291 MEDSMZMKSQRNJN-JTQLQIEISA-N 301.778 -0.181 30 20 DBED C[C@H](CNC(=O)Cn1ncnn1)N(C)C(=O)c1ccc(C#N)[nH]1 1442782209 VVNIBSMSCOHRNT-SECBINFHSA-N 316.325 -0.850 30 20 DBED C[C@@H](CN(C)C(=O)c1ccc(=O)n(C)n1)NC(=O)[C@H](C)C#N 1487912425 JDNKYPLRRVFXSQ-ZJUUUORDSA-N 305.338 -0.483 30 20 DBED CC(C)n1ccc(C(=O)N[C@H]2CCN(CC(=O)NCC#N)C2)n1 1494726685 SXMTUVPPFZEGSU-LBPRGKRZSA-N 318.381 -0.092 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)[C@@H](C)CS(C)(=O)=O)CC1 1535534588 DIJWTEUMSOLCAO-ZJUUUORDSA-N 315.395 -0.408 30 20 DBED N#Cc1cnc(N2C[C@H]3[C@H](NC(=O)[C@@H]4C[C@H]4C(=O)O)[C@H]3C2)cn1 1571118994 PLTWZTLOLZQOIU-YFVNTRNASA-N 313.317 -0.380 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)[C@@H]2C[C@H]2C(=O)O)CC1 1573368244 KLXHUPBIJWIMQF-VXGBXAGGSA-N 309.366 -0.410 30 20 DBED C#CCNS(=O)(=O)N1CCN(CC[C@@H]2CCNC2)CC1 1574735757 FSVWOBHUALMHCE-ZDUSSCGKSA-N 300.428 -0.929 30 20 DBED N#Cc1ncc(NC2CN(c3ccncn3)C2)nc1-c1nn[nH]n1 1581882942 MIAWUSKIGZXJAK-UHFFFAOYSA-N 321.308 -0.381 30 20 DBED C#CCC1(O)CCN(C(=O)C(=O)N(C)C[C@H](C)C(=O)O)CC1 1588391876 QDLMGUDPABAKRI-NSHDSACASA-N 310.350 -0.458 30 20 DBED C=CCn1cc(CNC(=O)COCc2ocnc2C(=O)O)nn1 1588909125 KRKRGTAFVZFOAR-UHFFFAOYSA-N 321.293 -0.017 30 20 DBED C=C[C@@H]1OCC[C@H]1Cn1nnnc1N1CCO[C@H](C(=O)O)C1 1588917833 CJQUKPXLWUXVQK-DCAQKATOSA-N 309.326 -0.446 30 20 DBED C[C@@](O)(CNS(=O)(=O)Cc1cc(C#N)ccc1F)C(=O)O 1589148728 YYUNIJXAYMCFNJ-GFCCVEGCSA-N 316.310 -0.048 30 20 DBED CC(C)(C(=O)O)n1cc(NC(=O)N[C@H]2CNC[C@@H]2C#N)cn1 1589666470 UUKIQCMBBSTHEV-WPRPVWTQSA-N 306.326 -0.064 30 20 DBED N#CCN1CCC(NC(=O)NC2CCN(CC(=O)O)CC2)CC1 1594609605 FOKYYQULRXFKEZ-UHFFFAOYSA-N 323.397 -0.177 30 20 DBED CN(CCOCCNC(=O)[C@H]1C[C@@H]1C(=O)O)C(=O)C#CC1CC1 1598498257 UUDSQMJESLUECZ-STQMWFEESA-N 322.361 -0.288 30 20 DBED COC(=O)[C@@H](CC(=O)O)NS(=O)(=O)CC1(C#N)CCC1 1598695404 SVMZZSWHIXAYBP-MRVPVSSYSA-N 304.324 -0.384 30 20 DBED N#Cc1ccc([C@H](C(N)=O)N2C[C@@H](C(=O)O)C[C@@H](O)C2)cc1 1601095109 HQEMURAKZMNWSU-YNEHKIRRSA-N 303.318 -0.148 30 20 DBED COC(=O)COCCNC(=O)N1CCC(C#N)(C(=O)O)CC1 1606474007 MEYRUDQQDKJJRM-UHFFFAOYSA-N 313.310 -0.424 30 20 DBED COc1cc(CS(=O)(=O)N(CC#N)CC(=O)O)sn1 1607165390 JAQKUHKYQGIIKY-UHFFFAOYSA-N 305.337 -0.108 30 20 DBED N#Cc1c[nH]c(C(=O)NC2(CNC(=O)[C@@H]3C[C@H]3C(=O)O)CC2)c1 1608195842 YQVKCXAOYWUBPH-NXEZZACHSA-N 316.317 -0.014 30 20 DBED N#Cc1c(N2CCC(O)(CO)CC2)cccc1S(N)(=O)=O 1645960246 OESSTROUGQMLJI-UHFFFAOYSA-N 311.363 -0.471 30 20 DBED N#CCC1CCN(C(=O)Cn2cc(S(N)(=O)=O)cn2)CC1 1647175039 MPXCBTWMOIGYMM-UHFFFAOYSA-N 311.367 -0.317 30 20 DBED C#CCN(CC)CCCNC(=O)CN1CCCS1(=O)=O 1752190253 QAZNBRARYOKEFX-UHFFFAOYSA-N 301.412 -0.517 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H](C)CNC(=O)c1cnc(O)n1C 1752891881 RVSCWNOGKFFVFZ-VHSXEESVSA-N 309.370 -0.476 30 20 DBED COCC#CCNC[C@H]1CCN(C(=O)c2cn(C)c(O)n2)C1 1752950114 LWIUYZSYLXTNIV-GFCCVEGCSA-N 306.366 -0.173 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@@H]1CCN(C(=O)c2cnon2)C1 1752954033 NVOVLHPUCHAUAG-QWRGUYRKSA-N 305.338 -0.741 30 20 DBED C#CCN1CCC[C@@H]1CCCNC(=O)Cn1c(O)nnc1O 1753037414 GIMKVGBLCBGTIM-NSHDSACASA-N 307.354 -0.317 30 20 DBED COCC#CCNC[C@H](C)CNC(=O)c1cc2n(n1)CCO2 1753617871 AKGODULQGDGNHJ-LBPRGKRZSA-N 306.366 -0.119 30 20 DBED C#CCNC(=O)CNC[C@H](C)CNC(=O)c1ccc(C)nc1O 1753633255 CLLSZOUOSDAVNQ-NSHDSACASA-N 318.377 -0.199 30 20 DBED C#CCNC(=O)[C@H](C)NC/C=C/CNC(=O)c1cnc(C)[nH]1 1754104217 QRICZHXYGIYBOH-QRGHLMKCSA-N 303.366 -0.268 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@H](C)NC(=O)Cc1cnn(C)c1 1754260801 NVAHOKLLPQBSHT-RYUDHWBXSA-N 305.382 -0.805 30 20 DBED C#CCNC(=O)[C@@H](C)NC1(CNC(=O)Cc2ncc[nH]2)CC1 1754529971 DWAKHGCNUNJEPK-LLVKDONJSA-N 303.366 -0.672 30 20 DBED C#CCNC(=O)[C@H](C)NC1(CNC(=O)Cn2ccnc2)CC1 1754536924 GYDKCTKBOPZHRX-LBPRGKRZSA-N 303.366 -0.741 30 20 DBED C=CCOCC(=O)N1CC[C@@]2(CCN(Cc3nnnn3C)C2)C1 1754563233 GHPOVMSTUDIOJN-OAHLLOKOSA-N 320.397 -0.163 30 20 DBED CNC(=O)NC(=O)CNC[C@@]1(C)CCN(C(=O)C#CC(C)C)C1 1754694800 IPMAFIGKCNOAGG-MRXNPFEDSA-N 322.409 -0.070 30 20 DBED C#CCNC[C@@]1(C)CCN(C(=O)[C@@H](CCC)S(N)(=O)=O)C1 1754700274 CXDGHURDVFKCCE-TZMCWYRMSA-N 315.439 -0.095 30 20 DBED C=CCC[C@H](C)N1CCC[C@](CO)(NC(=O)Cn2ncnn2)C1 1754856795 RJPCLOXXSJCTKE-ZFWWWQNUSA-N 322.413 -0.029 30 20 DBED NC(=O)C(=O)N1CCO[C@H](CNCC#Cc2ccc(F)cc2)C1 1755008377 OTDSCMPYZLMMHD-CQSZACIVSA-N 319.336 -0.521 30 20 DBED C=CCOCC(=O)N1CCOC2(CN(CCn3cncn3)C2)C1 1755049991 ZNAGJJGAYMUKQY-UHFFFAOYSA-N 321.381 -0.606 30 20 DBED COCC#CCN1CC2(C1)CN(C(=O)[C@@]13COC[C@@H]1C3)CCO2 1755051639 FDSFJQNGUCBLGK-YOEHRIQHSA-N 320.389 -0.414 30 20 DBED CCC(=O)N[C@H](C)C(=O)NC[C@H]1CCC2(CN(CC#N)C2)O1 1755054302 MBRWAPTXEQCXID-VXGBXAGGSA-N 308.382 -0.226 30 20 DBED CNC(=O)[C@H](C)N1CC(N2CCN(C(=O)C#CC(C)C)CC2)C1 1755145400 MJOCZSNGQBBJMQ-AWEZNQCLSA-N 320.437 -0.391 30 20 DBED C[C@H](O)CNCC1(O)CCN(C(=O)CSCC#N)CC1 1755147961 VORYTEOALJVGFF-NSHDSACASA-N 301.412 -0.433 30 20 DBED CC#CCNCC(C)(C)CN(C)C(=O)CN1C(=O)CNC1=O 1755287012 JVNPFAYMLXWHPA-UHFFFAOYSA-N 308.382 -0.364 30 20 DBED C#CCNC(=O)CN1CC([C@H](C)NC(=O)[C@@H]2CCCOC2)C1 1755376104 WUFAATNVOUFYPI-QWHCGFSZSA-N 307.394 -0.401 30 20 DBED C#Cc1cncc(C(=O)N(C)C[C@@H](O)CN(C)CC(=O)NC)c1 1755804491 DGQFZWLTWQAXPO-AWEZNQCLSA-N 318.377 -0.826 30 20 DBED CN(CCOCCN[C@H]1CCNC1=O)C(=O)c1ccc(C#N)[nH]1 1755872636 SCZYZZLFFTWBDG-LBPRGKRZSA-N 319.365 -0.547 30 20 DBED C=CCCC(=O)N[C@H](C)[C@H](C)NC(=O)Cn1ncn(C)c1=O 1755954542 MPXFKCVNLLCIOW-MNOVXSKESA-N 309.370 -0.443 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2CCN(C)C2)C1 1756250142 HEVLKWZPJGJYDI-XQLPTFJDSA-N 321.421 -0.013 30 20 DBED C=CCOCC(=O)N1CC[C@@H]2CN(C(=O)[C@@H](C)NC(C)=O)[C@@H]2C1 1757217482 UHIXTQVYEYMERN-MRVWCRGKSA-N 323.393 -0.227 30 20 DBED C[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CCC1)C2 1800754394 KHKNIMVITHDEFH-FVCCEPFGSA-N 321.377 -0.349 30 20 DBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccco3)C2)C1 1839807229 PUCKMTMGTLHSOY-MRXNPFEDSA-N 318.329 -0.017 30 20 DBED N#CCC(=O)N1CCCC12CN(C(=O)CSCC(=O)O)C2 1842623777 BVKHFVIHBQMDIE-UHFFFAOYSA-N 311.363 -0.079 30 20 DBED C[C@H](NC=O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C#CC1CC1 1847747914 VNBDLYWIJOIGJE-UBHSHLNASA-N 303.362 -0.264 30 20 DBED C#CCNC(=O)CN(C)c1c(N)n(CCCC)c(=O)[nH]c1=O 11237196 OYAZFJGURHWALR-UHFFFAOYSA-N 307.354 -0.896 30 20 DBED CCN(CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)C[C@H](C)C#N 66424510 WSXWTPYQSZYVCH-SECBINFHSA-N 307.354 -0.670 30 20 DBED C/N=C(/NCc1cnc(N(C)C)n1C)N1CCN(C(C)=O)CC1 262806152 SEMBTKIIFRCEDR-UHFFFAOYSA-N 321.429 -0.274 30 20 DBED N#C[C@@H]1COCCN1C(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 267161616 KJMMUCRBSWZMOS-CVNCSBKSSA-N 315.329 -0.456 30 20 DBED CCOC(=O)CO/N=C(/C(=O)Nc1n[nH]c(C)n1)c1cc[nH]n1 277990973 NELUGXANZJZOHP-VXLYETTFSA-N 321.297 -0.241 30 20 DBED COC[C@H](CO)NC(=O)C(=O)N1CCc2ccc(C#N)cc21 280328265 CSISMMQRENLKGZ-LBPRGKRZSA-N 303.318 -0.429 30 20 DBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[C@@](C)(C(N)=O)C1 292353352 QGKQZMKSJQRYEA-MQIPJXDCSA-N 323.393 -0.192 30 20 DBED CCN(CCO)C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 298798046 PIPUOXGMHSSBRB-UHFFFAOYSA-N 311.363 -0.323 30 20 DBED CCc1nc2n(n1)C[C@H](N/C(O)=N/C[C@]1(O)CCOC1)CC2 328853938 SRFOOCPXMZZFHA-QMTHXVAHSA-N 309.370 -0.190 30 20 DBED CN1C(=O)C[C@H](/C(O)=N/CCn2ncnn2)[C@@H]1c1ccnn1C 328907207 BYJPDIIOFJHMPK-JOYOIKCWSA-N 318.341 -0.417 30 20 DBED CN1CCOC[C@H]1/C(O)=N/CCS(=O)(=O)NCC1CCC1 329014022 JFKOBGWSZWLNKU-LBPRGKRZSA-N 319.427 -0.007 30 20 DBED CN1CCN(CCNS(=O)(=O)CC2(CC#N)CC2)CC1 329631393 WOKMWTMKNXLXEP-UHFFFAOYSA-N 300.428 -0.153 30 20 DBED CN(/C(O)=N/[C@@H]1[C@H]2COC[C@H]21)C1CCN(S(C)(=O)=O)CC1 330008539 FMYZKXVCCNFYSG-GDNZZTSVSA-N 317.411 -0.099 30 20 DBED CN1CCO[C@H]2CN(S(=O)(=O)c3cccnc3C#N)C[C@H]21 330303682 KASJBSQIWXCBSH-NEPJUHHUSA-N 308.363 -0.343 30 20 DBED CNS(=O)(=O)CC/N=C(/O)N[C@@H](C)CN1CCCC1=O 331271076 UWAGDIIJKBBJNA-VIFPVBQESA-N 306.388 -0.950 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H](CO)[C@H]1CCCO1 337157075 PKQRZWNXGXIMHT-IJLUTSLNSA-N 305.400 -0.158 30 20 DBED C=CCNC(=O)CNS(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] 346564045 LUPTVFMANBQAKY-UHFFFAOYSA-N 317.327 -0.608 30 20 DBED Cn1c(N[C@H]2CCc3c[nH]nc3C2)c(C#N)c(=O)n(C)c1=O 370448311 DOCCYCIDONGUIK-VIFPVBQESA-N 300.322 -0.352 30 20 DBED CS(=O)(=O)N1CC(CNC(=O)c2ccc(C#N)c(O)c2)C1 442799913 IYICEUKJYKAWAB-UHFFFAOYSA-N 309.347 -0.115 30 20 DBED C#CCN(CC#N)S(=O)(=O)c1cccc(S(N)(=O)=O)c1 490874223 LRYZCYXRHKPDJL-UHFFFAOYSA-N 313.360 -0.519 30 20 DBED C#CCNC(=O)CCN1CCC(N(C)S(=O)(=O)CC)CC1 491202965 RLPISGDLJOCXFO-UHFFFAOYSA-N 315.439 -0.128 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)C2(C(=O)C3CC3)CC2)CC1 491295480 HUKCVRGBVODCEO-UHFFFAOYSA-N 317.389 -0.361 30 20 DBED N#Cc1ccc(OC[C@@H](O)CNCCN2C(=O)CNC2=O)cc1 564856957 OZJVWIHQAUIYJO-LBPRGKRZSA-N 318.333 -0.561 30 20 DBED CN(CCC#N)C[C@@H](O)CNC[C@@H]1CCCCS1(=O)=O 564874171 ZJMFZQJQSJIUSQ-STQMWFEESA-N 303.428 -0.250 30 20 DBED C=CCOC[C@@H](NC(=O)c1ccnc(N)c1[N+](=O)[O-])C(=O)OC 573740521 HJTUAQYGRROFQX-SECBINFHSA-N 324.293 0.046 30 20 DBED N#C[C@]1(F)CCN(C(=O)CNS(=O)(=O)c2cccnc2)C1 589492527 SIHNDWXDHXTOQW-GFCCVEGCSA-N 312.326 -0.176 30 20 DBED CC(C)(C)n1nnc(CNC(=O)CNc2ccc(C#N)cn2)n1 594397655 KFHHZIHRQNZSEH-UHFFFAOYSA-N 314.353 0.423 30 20 DBED C=CCCCCNC(=O)C(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1OC 612187925 RXDKEVFZGZPGOK-MNOVXSKESA-N 318.395 -0.613 30 20 DBED N#C[C@H]1CN(C(=O)CS[C@@H]2CCS(=O)(=O)C2)CCO1 701338405 YWHCBLWMDJPSLM-VHSXEESVSA-N 304.393 -0.342 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)CNC(=O)c1ccc(O)cc1 727540133 YDQQGRVOUOSDFY-JTQLQIEISA-N 304.302 -0.197 30 20 DBED Cn1cc(C(=O)NCC2CCN(CC#N)CC2)c(=O)n(C)c1=O 748336356 UFVYTTCGFQIRPH-UHFFFAOYSA-N 319.365 -0.951 30 20 DBED COc1ccc(C#N)cc1NC(=O)C(=O)NN1CCCNC1=O 756228980 VCPIEFYXVSNYKB-UHFFFAOYSA-N 317.305 -0.048 30 20 DBED CCOC(=O)CON=C(C(=O)N[C@@H](CC)CO)c1cc[nH]n1 789955598 XEDNYCUVVGBHOV-VIFPVBQESA-N 312.326 -0.419 30 20 DBED CS(=O)(=O)NC1CC(NC(=O)NCc2ccc(C#N)cn2)C1 801068228 YFMSNCWILVAUOH-UHFFFAOYSA-N 323.378 -0.167 30 20 DBED C#C[C@H](NC(=O)C(=O)NC[C@@H](C)N(C)C1CC1)[C@H]1CCCO1 804429161 FUZJRGXXIUWWRA-KWCYVHTRSA-N 307.394 -0.118 30 20 DBED O=C(CN1C(=O)COc2ccccc21)N[C@@H]1CCCN(O)C1=O 816754785 LMKKUSGDYOTQCW-SNVBAGLBSA-N 319.317 -0.092 30 20 DBED CCNS(=O)(=O)[C@H]1CCN(C(=O)[C@](C)(C#N)CC(=O)O)C1 820361253 XYRWJIPVAGCYIJ-CABZTGNLSA-N 317.367 -0.469 30 20 DBED C#CCN(CC(=O)N[C@H](CO)C(=O)OC)C(=O)OC(C)(C)C 820760118 BLHNWCFDHBRVGM-SNVBAGLBSA-N 314.338 -0.493 30 20 DBED C#CCO[C@@H](C)C(=O)NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 826812580 NPXWXTSLSGZHBM-HTVCTNPSSA-N 316.357 -0.052 30 20 DBED C#CCN1CCN(Cn2nc(C(=O)OC)cc2C(=O)O)CC1 833363950 BTMZCECIJKAMHA-UHFFFAOYSA-N 306.322 -0.424 30 20 DBED C=C[C@H](C)ONC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 846542953 DHHFPZWHHHUIDH-GARJFASQSA-N 316.379 -0.356 30 20 DBED C/N=C(/NCCN1CCOCC1)NCc1nc(C(C)C)n[nH]1 849034630 ATIOLEOIWJLDSF-UHFFFAOYSA-N 309.418 -0.075 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)Nc1ccnc(OCCO)c1 850430361 ZNNPZNRMYAKZDP-UHFFFAOYSA-N 315.329 -0.124 30 20 DBED N#Cc1ccc(N2CCN(C(=O)[C@@H]3CNCCO3)CC2)cn1 877297327 RCUKGPNJQLSQFO-AWEZNQCLSA-N 301.350 -0.410 30 20 DBED C#CCC[C@@H](O)CNC(=O)NCCS(=O)(=O)N1CCCC1 897947628 PUVYBLDXUQTOMO-GFCCVEGCSA-N 317.411 -0.515 30 20 DBED Cc1ccc(C(=O)NCC#CCN(C)C)cc1S(N)(=O)=O 913515674 HYAUKZVYOCWZSC-UHFFFAOYSA-N 309.391 -0.063 30 20 DBED C#CC[C@H](CO)NC(=O)NC1CCN(S(=O)(=O)CC)CC1 914000397 CMOINTVQKWQJBB-GFCCVEGCSA-N 317.411 -0.516 30 20 DBED C#CC[C@H]1NC(=O)N(C2CCN(CC(=O)N(C)C)CC2)C1=O 927498236 XTRIQULTROCDIG-GFCCVEGCSA-N 306.366 -0.517 30 20 DBED CN(C(=O)C1CC(=O)NC(=O)C1)[C@@H]1CCCN(CC#N)CC1 948851850 CKWMXSWAWMLRQY-GFCCVEGCSA-N 306.366 -0.124 30 20 DBED CN1CC[C@@H](C(=O)NC[C@@H]2CCN2C(=O)C#CC2CC2)CC1=O 950952303 JCWGFTOIUKSWER-KGLIPLIRSA-N 317.389 -0.015 30 20 DBED O=C1CC(C(=O)NC[C@H]2CCN2C(=O)C#CC2CC2)CC(=O)N1 951091489 CTKNZVBBFKHDTC-GFCCVEGCSA-N 317.345 -0.830 30 20 DBED C=CCN1C[C@@H](O)[C@@H](CNC(=O)c2cnn3ncccc23)C1 958134504 FETYRVAUBTXJDB-SMDDNHRTSA-N 301.350 -0.062 30 20 DBED COCCn1ccc(C(=O)NC[C@@H]2CN(CC#N)C[C@H]2O)n1 958255027 VCRWLKGCLQYCEK-DGCLKSJQSA-N 307.354 -0.924 30 20 DBED C=CCN1C[C@H](O)[C@H](CNC(=O)C2CCS(=O)(=O)CC2)C1 958445250 VZHSSBLEQRUAEK-OLZOCXBDSA-N 316.423 -0.594 30 20 DBED C=CCCN1C[C@H]2C(NC(=O)CN3CCCS3(=O)=O)[C@@H]2C1 960186906 VFIQQYHPQDSOBS-VXGBXAGGSA-N 313.423 -0.356 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1ncn(C)n1 960334717 MWLKHBKPFGYWNI-GARJFASQSA-N 318.337 -0.973 30 20 DBED CO[C@H](C)C(=O)N1CCOC[C@@H]1CNC(=O)c1cc(C#N)c[nH]1 964147735 XVMMHBLKHNDYPT-PWSUYJOCSA-N 320.349 -0.122 30 20 DBED C=C1CC(C)(C(=O)N2CC(N3CCN(C(=O)C(N)=O)CC3)C2)C1 967253223 NMZAQISJMBMMPA-UHFFFAOYSA-N 320.393 -0.817 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCN(C)C3)C[C@@H]2O)C1 970398955 PDEZBXLITJFJAF-MJBXVCDLSA-N 321.421 -0.018 30 20 DBED Cc1cc(O)ncc1C(=O)N[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1O 970427962 XDOPEIBLVHCIPD-JLLWLGSASA-N 318.333 -0.443 30 20 DBED C#CCN[C@@H]1CCN(C(=O)COc2cccc(C(N)=O)c2)C1 970782493 RYGJFGAVEYOMPP-CYBMUJFWSA-N 301.346 -0.012 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CCC(=O)N2)C1 973950316 LIOCKKFNVGYVRI-MLGHIDQZSA-N 321.377 -0.381 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)Cc3nc[nH]n3)C2)nc1 974344803 QHYFBHNGWZLYLX-TXEJJXNPSA-N 324.344 -0.199 30 20 DBED C[C@@H](C(=O)N[C@H]1CN(CC#N)CC1(C)C)N1C(=O)CCC1=O 974630658 CINQNTQVSZKNBT-QWRGUYRKSA-N 306.366 -0.126 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]2CCN(C(=O)Cn3nccn3)[C@H]2C1 975972785 SUNHYZHKRRPNGS-AGIUHOORSA-N 316.365 -0.113 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)CN3CCCNC3=O)[C@H]2C1 976809840 XCBIHGFEZPYLIE-DCQANWLSSA-N 319.365 -0.866 30 20 DBED C[C@@]1(C(=O)N[C@H]2[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]32)CCC(=O)N1 977141010 YAQOWODMDGREDD-NENTXLIVSA-N 315.373 -0.359 30 20 DBED CN(C[C@H]1CCN1C(=O)CC(N)=O)C(=O)c1ccc(C#N)[nH]1 977594276 VTEXAUNOTNUBLB-SNVBAGLBSA-N 303.322 -0.565 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@H]1CCN1C(=O)CC(N)=O 977797408 PLIVOWWJXHQRLU-XUJVJEKNSA-N 323.393 -0.098 30 20 DBED C#CCN1C[C@H]2C[C@H](NC(=O)CN3CC(=O)NC3=O)CC[C@H]2C1 980189202 AZASXWCFBUPANU-YNEHKIRRSA-N 318.377 -0.612 30 20 DBED C#CCN[C@@H]1CCC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 981099159 UVYIIEPOJSKKGK-MNOVXSKESA-N 304.354 -0.973 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCCN([C@@H](CC)C(N)=O)CC1 981365507 ORQUHTUUGUWLQN-GJZGRUSLSA-N 320.437 -0.118 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H](N(C)C(=O)Cc2nc[nH]n2)C1 984598962 RQPRFSOYLHFRKV-MNOVXSKESA-N 304.354 -0.044 30 20 DBED C=CCn1cc(C(=O)NC2CN(C(=O)Cc3cc[nH]n3)C2)nn1 991672687 FAUAVKLNCZJWOO-UHFFFAOYSA-N 315.337 -0.630 30 20 DBED CC#CCN1CCC[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)[C@@H]1C 994370244 ZYSIMBPBSALMGO-QWHCGFSZSA-N 320.393 -0.127 30 20 DBED Cc1cc(C)n(CC(=O)N2CCC(NCC#N)CC2)c(=O)n1 997144723 MTNRLNWSUGEBMM-UHFFFAOYSA-N 303.366 -0.036 30 20 DBED CO[C@H]1C[C@H](C(=O)N(C)C2CC(NCC#N)C2)N(C(C)=O)C1 999176988 GVSTWYMXNRCNAA-CLRIEMFWSA-N 308.382 -0.275 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)COC)nn1 1002762816 DNUSQLKKTXHICF-WZRBSPASSA-N 319.365 -0.028 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCC1[C@@H]2CN(C(=O)CC(N)=O)C[C@@H]12 1009526321 LHBGJRIHWNLITJ-IXOXFDKPSA-N 321.377 -0.727 30 20 DBED C=CCCN1CC[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)C1 1015991800 IBIZGOTVHZTXCP-JTQLQIEISA-N 302.338 -0.202 30 20 DBED C#CCCN1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@@H]1CC(=O)NC1=O 1018347536 UFANWHMIZWJWDS-RWMBFGLXSA-N 303.362 -0.262 30 20 DBED C[C@@H](C#N)C(=O)N1CCCO[C@@H](CNC(=O)C2=COCCO2)C1 1019519289 NSGMJTQUBHQEMR-RYUDHWBXSA-N 323.349 -0.232 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCN(C)C2)C1 1023787552 LQKAEKAKCRGVDV-YNEHKIRRSA-N 309.410 -0.162 30 20 DBED C=CCCn1cc(C(=O)N[C@@H]2CN(C(=O)CCC)C[C@H]2O)nn1 1023913999 KWQHUTWPTOVSLX-DGCLKSJQSA-N 321.381 -0.044 30 20 DBED C=CCCN1CC[C@H](CNC(=O)[C@H]2CCS(=O)(=O)N2)C1 1028992245 FAMKBJSCWYZYFX-VXGBXAGGSA-N 301.412 -0.308 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN([C@@H](CC)C(N)=O)C1 1032827209 ZJMDJJXYMPERLA-IHRRRGAJSA-N 306.410 -0.462 30 20 DBED CC#CCN1CC[C@H](N(C)C(=O)CN2C(=O)NC(C)(C)C2=O)C1 1033637401 MXQJWHAXXSNDGO-LBPRGKRZSA-N 320.393 -0.127 30 20 DBED C=CCN1CCO[C@@H](CNC(=O)c2ccoc2CC(N)=O)C1 1035487031 HKZJVNHBDKZUAE-NSHDSACASA-N 307.350 -0.076 30 20 DBED C#CCN1CC2(CCN(C(=O)[C@@H]3COCCN3C(C)=O)CC2)C1 1035853344 NYWNJFRZQIWNKE-HNNXBMFYSA-N 319.405 -0.209 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H]3[C@H](CCN3CCO)C2)nn1 1036838121 SXXRYQNFXGTMHU-OCCSQVGLSA-N 305.382 -0.007 30 20 DBED CN1CC[C@@H](C(=O)NC[C@]2(O)CCN(C(=O)C#CC3CC3)C2)C1 1039760468 NDFHTVWSYVUTJL-RHSMWYFYSA-N 319.405 -0.569 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@](O)(CNC(=O)c2cnco2)C1 1040392315 LLQCUHNPRXEAEQ-ABAIWWIYSA-N 321.333 -0.594 30 20 DBED C[C@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)c2ccncn2)C1 1040761866 XGUWOLLFYUBNGQ-QMTHXVAHSA-N 303.322 -0.671 30 20 DBED Cc1cc(C#N)nc(N2C[C@@H](O)[C@H](NC(=O)c3cc[nH]n3)C2)n1 1040928624 PVZQZZMKXMFBID-VXGBXAGGSA-N 313.321 -0.641 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC3(F)F)C2)nn1 1041012674 WGFNHWBIZXUXKX-IVZWLZJFSA-N 309.276 -0.331 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)CCCC(C)=O)C1 1041450613 QMWKTJVJKKMQES-ZDUSSCGKSA-N 324.377 -0.527 30 20 DBED N#CCN1CC[C@]2(CCN(C(=O)CCN3C(=O)CCC3=O)C2)C1 1041451515 MSWODKOEAJUQSE-INIZCTEOSA-N 318.377 -0.027 30 20 DBED CC(C)[C@H](F)C(=O)N1CC(O)(CNC(=O)CSCC#N)C1 1041568712 CVDLJIPKLUHHRB-NSHDSACASA-N 317.386 -0.073 30 20 DBED CC(C)OCC(=O)NCC1(O)CN(C(=O)c2ccc(C#N)[nH]2)C1 1041843466 ARBLECAMNSKTAZ-UHFFFAOYSA-N 320.349 -0.386 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@@H]3CCN(CC(N)=O)[C@H]3C2)[nH]1 1042015161 DBIQTHJOXNQQER-GWCFXTLKSA-N 301.350 -0.092 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(O)CN(C(=O)Cc2ccco2)C1 1042807390 RSBGYCCZBOBTHT-HNNXBMFYSA-N 322.361 -0.161 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2n[nH]cc2C)C1 1043039245 DPKNTJYURRVTNW-NSHDSACASA-N 320.349 -0.940 30 20 DBED C=C(C)CCC(=O)NCC1(O)CN(C(=O)Cc2cnc[nH]2)C1 1043319310 DNTVPSYIVPLPFU-UHFFFAOYSA-N 306.366 -0.002 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)[C@H](C)CC(N)=O)C1 1044426083 HQCCSEXPHMMGIT-SNVBAGLBSA-N 311.382 -0.600 30 20 DBED C[C@@H]1C[C@@H](NCC#N)CCN1C(=O)c1cnc(O)n(C)c1=O 1044707461 MTCXZWJVFWADIC-ZJUUUORDSA-N 305.338 -0.408 30 20 DBED C=C(C)CCN1C[C@H](O)[C@@H](N(C)C(=O)Cn2cnnc2O)C1 1047355085 UFCGLYKUBQEWLC-RYUDHWBXSA-N 309.370 -0.547 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCc3nccn32)C1 1047408787 BUKOKXGVALWHRP-RDBSUJKOSA-N 302.378 -0.103 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cc(OC)n(C)n2)C1 1047452284 GQSSWGNJVIEGOW-STQMWFEESA-N 306.366 -0.431 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C#CC(C)C)C1 1048813820 MZQSOIDXYQBKMM-ILXRZTDVSA-N 320.389 -0.286 30 20 DBED C#CCOCCC(=O)N(C)[C@H]1CN(C(=O)C(C)(C)F)C[C@@H]1O 1048844826 SBKOGEXQJZNQQT-RYUDHWBXSA-N 314.357 -0.196 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)COCC2CC2)C[C@@H]1O 1049389511 YIOOARHYAZOBNS-WXHSDQCUSA-N 309.366 -0.397 30 20 DBED C[C@@H]1[C@@H](NC(=O)[C@@H]2CNC(=O)N2)CCN1c1cnc(C#N)cn1 1050952217 NIQFLLYHXXBXQQ-MIMYLULJSA-N 315.337 -0.887 30 20 DBED C#CCN1CCN([C@@H]2CCN(C(=O)c3cnn(CC)n3)C2)CC1 1052020769 JDZCOJSPNBERDF-CQSZACIVSA-N 316.409 -0.237 30 20 DBED Cc1cncn1CC(=O)N1CC[C@@H](N2CCN(CC#N)CC2)C1 1052052642 SLEWKEKIHXNODC-OAHLLOKOSA-N 316.409 -0.066 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1C 1052501683 CMNKPEFQTLHEGA-NEPJUHHUSA-N 321.381 -0.158 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)c3cc4n(n3)CCO4)CO2)C1 1053830918 PCZPQHPKKWDXHO-JTQLQIEISA-N 303.322 -0.628 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)[C@H]3CCCCC(=O)N3)CO2)C1 1053921651 KKOMCMAJORFREG-VXGBXAGGSA-N 306.366 -0.472 30 20 DBED CCCN1C[C@H](C(=O)N[C@H]2COC3(C2)CN(CC#N)C3)CC1=O 1053940557 GXOWYSBHWIJUKR-CHWSQXEVSA-N 320.393 -0.272 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)C[C@@H]3CCC(=O)N3)CO2)C1 1053954160 JTBWEMRUEXMLBA-STQMWFEESA-N 305.378 -0.362 30 20 DBED C=CCN1CC2(C[C@@H](NC(=O)c3c[nH]c(C(N)=O)c3)CO2)C1 1054009376 VTNVPMSXRGYMHP-LLVKDONJSA-N 304.350 -0.127 30 20 DBED N#CCSCC(=O)N1CCC[C@@](CO)(NC(=O)C(F)F)C1 1055678998 AFJPCWDLDGYQCV-GFCCVEGCSA-N 321.349 -0.022 30 20 DBED C[C@H](C#N)C(=O)N1CCN(c2cncc(C(=O)N(C)C)n2)CC1 1055742291 NIAVHBZTUWTRGH-LLVKDONJSA-N 316.365 -0.013 30 20 DBED CN1CCC[C@H]1C(=O)N[C@H]1[C@@H]2CN(c3cncc(C#N)n3)C[C@@H]21 1056149715 NNLOEPKVODZCPY-SFDCQRBFSA-N 312.377 -0.007 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCN(CCO)C(=O)C(C)(F)F 1056783121 DUWTZXCPWZEWQP-GFCCVEGCSA-N 308.325 -0.094 30 20 DBED C=C[C@](C)(O)CC(=O)NCCN(CCO)C(=O)c1cc(C)[nH]n1 1057100960 DVBRCAFVWXLANI-HNNXBMFYSA-N 324.381 -0.404 30 20 DBED C#CCCCCC(=O)NCCN(CCO)C(=O)c1ncn(C)n1 1057496325 MYOKBJQLFCTYSH-UHFFFAOYSA-N 321.381 -0.441 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)C[C@@H](C)NC(N)=O 1057591866 MGWFOMJVCMIHEX-LLVKDONJSA-N 314.386 -0.663 30 20 DBED CN1CCO[C@H](C(=O)N[C@@H]2CCN(c3cnc(C#N)cn3)C2)C1 1058316797 HRJAYSQULOOTRE-YPMHNXCESA-N 316.365 -0.626 30 20 DBED C#CCCCC(=O)NCC[C@@H]1CCN(C(=O)Cn2cnnn2)C1 1059129375 NIUBEQXQLCFVPW-CYBMUJFWSA-N 318.381 -0.169 30 20 DBED N#Cc1nccnc1N[C@H]1C[C@H](NC(=O)[C@@H]2COCCO2)C1 1059161294 GFBWJVLWRBSWBB-NHCYSSNCSA-N 303.322 -0.177 30 20 DBED C#CCOCCC(=O)N1CC[C@H](CCNC(=O)CNC(C)=O)C1 1059644590 UJPWIWMLFUKDQJ-AWEZNQCLSA-N 323.393 -0.483 30 20 DBED CC(C)C#CC(=O)N1CCOC[C@H]1CNC(=O)[C@@H]1COCCO1 1061322498 DXQPDQLQAGAXAV-KGLIPLIRSA-N 324.377 -0.595 30 20 DBED C#CCCCCC(=O)N1CCOC[C@@H]1CNC(=O)CC(=O)NC 1061527431 XWRFIQHQTNZIBM-ZDUSSCGKSA-N 323.393 -0.340 30 20 DBED Cn1nnc(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(C#N)nc2)n1 1062560958 VLPOKEOPFUNDSO-RYUDHWBXSA-N 310.321 -0.420 30 20 DBED N#Cc1cnc(N2C[C@@H]3C[C@H]2CN3C(=O)CCc2cnn[nH]2)cn1 1062584548 OUUUFBUMSCHUNK-STQMWFEESA-N 324.348 -0.111 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)[C@@H]2COC(=O)N2)CCO1 1065108406 RTXXQBNWLBEDQS-RYUDHWBXSA-N 323.349 -0.902 30 20 DBED CC(C)C#CC(=O)N1CCO[C@H](CNC(=O)[C@@H]2COC(=O)N2)C1 1065128811 JPSPGOQFXDHTNJ-NEPJUHHUSA-N 323.349 -0.902 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CCCN(C(=O)CS(C)(=O)=O)CC1 1066476338 YQEWRCVGHRQPLU-WDEREUQCSA-N 315.395 -0.312 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCCN(C)C(=O)Cn1c(O)nnc1O 1067881662 OTFIYJUVYAYHAB-VIFPVBQESA-N 324.341 -0.844 30 20 DBED C[C@H](C#N)C(=O)N1CC2(C[C@@H](NC(=O)CC(=O)N(C)C)CO2)C1 1068873963 INXBLPWTSCWDIP-GHMZBOCLSA-N 322.365 -0.890 30 20 DBED Cc1nocc1C(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1 1070012984 YMOOSKOMGNKCNR-NEPJUHHUSA-N 301.310 -0.247 30 20 DBED CC(C)C#CC(=O)NC1(CNC(=O)c2nc[nH]n2)CCOCC1 1070108524 FZUAPAJHESXRNV-UHFFFAOYSA-N 319.365 -0.141 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)[C@H](C)CC(N)=O)CCOCC1 1070234301 SAJXJNZSZKEXMV-GHMZBOCLSA-N 324.381 -0.561 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CCCN(C(=O)[C@H](C)NC(N)=O)C1 1070660032 MCZWRRUHUMXTNW-SDDRHHMPSA-N 324.381 -0.811 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)[C@@H]4CN(C)CCO4)C[C@@]3(C1)O2 1070779774 HDXACBNFMINAKK-PNBKFKSVSA-N 319.405 -0.748 30 20 DBED C#CCCN1CCNC(=O)CCN(C(=O)c2ccon2)CC1 1070943530 SZSYFUGQYJPUNY-UHFFFAOYSA-N 304.350 -0.038 30 20 DBED CC#CCN1C[C@H](NC(=O)CN2CCN(C)C(=O)C2)CC[C@@H]1C 1071619738 UAYSRNHAYUUJPX-LSDHHAIUSA-N 320.437 -0.247 30 20 DBED C[C@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1NC(=O)C#CC1CC1 1072013544 FWOVZPFKQLGHEL-CMPLNLGQSA-N 301.350 -0.195 30 20 DBED CC(C)C#CC(=O)N1C[C@H](C)[C@@H](NC(=O)CS(C)(=O)=O)C1 1072035917 RJOJVEPXSSQLBZ-RYUDHWBXSA-N 314.407 -0.347 30 20 DBED C=C[C@H](CC)CC(=O)N1CC(N2CCN(C(=O)C(N)=O)CC2)C1 1073596031 BRSIYASDEUTQDX-GFCCVEGCSA-N 322.409 -0.571 30 20 DBED C=CCCOCC(=O)N1CC[C@@H](NC(=O)CC(N)=O)[C@@H](C)C1 1073845602 FGJPQJGIKOUSLU-NWDGAFQWSA-N 311.382 -0.192 30 20 DBED C=CCN1CCO[C@H]2CCN(C(=O)C3CN(C(C)=O)C3)C[C@@H]21 1074226240 MIWITHAXTVJRAE-GJZGRUSLSA-N 307.394 -0.048 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)c1nocc1C 1076217964 PWGMRLUIHCZVCQ-NSHDSACASA-N 320.349 -0.253 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)c1cncs1 1076217974 QIDOJRBXROOBQT-JTQLQIEISA-N 322.390 -0.093 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)c1cccnc1 1076220180 RYZTVZOAWSZQCF-LBPRGKRZSA-N 316.361 -0.154 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3cncn3)nc2)C1 1077482991 NKEVETVXXFNOEN-CHWSQXEVSA-N 312.333 -0.930 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(CCn2cncn2)C[C@H]1O 1077699002 LIDVJAJUROYQFM-SYQHCUMBSA-N 321.381 -0.970 30 20 DBED C=CCCCC(=O)N[C@@H](C)CCNC(=O)CN1CCNC(=O)C1 1077723056 OJZKRAAKJUQLNA-ZDUSSCGKSA-N 324.425 -0.215 30 20 DBED C=CCOCC(=O)N(CC)C1CN(C(=O)C[C@@H]2CCC(=O)N2)C1 1079490335 KBJPCBPUWBXUJX-LBPRGKRZSA-N 323.393 -0.083 30 20 DBED C#CCN1C[C@@H](NC(=O)Cc2ccc(C(N)=O)nc2)[C@H](C)C1 1079960156 JLXQDFYTPDQONZ-BXUZGUMPSA-N 300.362 -0.207 30 20 DBED C#CCOCCC(=O)N1CC(N(CC)C(=O)[C@@H]2CCC(=O)N2)C1 1080179148 FERBCSULHKLIOK-ZDUSSCGKSA-N 321.377 -0.636 30 20 DBED CC(C)C#CC(=O)N1C[C@H](CNC(=O)c2cnccn2)[C@@H](O)C1 1081204414 JDDNVCRZDLWIPT-JSGCOSHPSA-N 316.361 -0.315 30 20 DBED Cc1conc1C(=O)N1C[C@@H](O)[C@H](CNC(=O)C#CC2CC2)C1 1081471727 RLOPXYSEVHESQL-CHWSQXEVSA-N 317.345 -0.054 30 20 DBED C=CC(C)(C)C(=O)NC[C@H]1CN(C(=O)c2cnnn2C)C[C@H]1O 1081640038 HTVLWHXXPWMWAZ-CMPLNLGQSA-N 321.381 -0.424 30 20 DBED C=CCCCC(=O)NC[C@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1O 1081702231 CMRMAZFVZPJPCS-WCQYABFASA-N 321.381 -0.280 30 20 DBED C#CCN1C[C@@H](NC(=O)Cn2ncc3cccnc32)[C@H](OC)C1 1081953278 SPSHUXOURCPMOI-ZIAGYGMSSA-N 313.361 -0.120 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1ccc(O)nn1 1082990693 GHVQCGGOJDNFMG-QWHCGFSZSA-N 302.334 -0.269 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CCCN(C(C)=O)C1 1083135451 DLFPDXLFOZFSNV-OWCLPIDISA-N 319.405 -0.210 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H](C)N1CCOCC1 1083293549 JUMAANBSBIFLHR-SOUVJXGZSA-N 307.394 -0.748 30 20 DBED CC(=O)Nc1cccc(CC(=O)N[C@@H]2CN(CC#N)C[C@@H]2O)c1 1083976457 YZJFZUWXPXUETF-CABCVRRESA-N 316.361 -0.128 30 20 DBED CC(=O)N1CCO[C@@H](C(=O)N2C[C@H]3CCN(CC#N)C[C@H]3C2)C1 1088187276 OHXAYJVHJKUJPN-QLFBSQMISA-N 320.393 -0.462 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cn(CCOC)nc2C)[C@H](O)C1 1090259372 UDOHJVKPZJOBMI-LSDHHAIUSA-N 320.393 -0.364 30 20 DBED CC#CCN1CC[C@@H](NC(=O)Cc2cc(C)nn2C)[C@@H](O)C1 1090427694 NVPDKUVZDHBSSE-CABCVRRESA-N 304.394 -0.154 30 20 DBED Cn1cnc2c(C(=O)N[C@@H]3CCN(CC#N)C[C@@H]3O)ccnc21 1090566173 JNWOQWXDHKYPFG-NEPJUHHUSA-N 314.349 -0.343 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cnn3cc(C)cnc23)[C@@H](O)C1 1090611428 FFXIZXOEVZHJJX-KBPBESRZSA-N 313.361 -0.164 30 20 DBED C=CCCn1cc(C(=O)N[C@@H]2CCN(CCF)C[C@@H]2O)nn1 1090637894 MKOWKYYXWWBZRH-YPMHNXCESA-N 311.361 -0.011 30 20 DBED COCCC(=O)N1CCO[C@@H]2CN(c3ccnc(C#N)n3)C[C@@H]21 1091032163 FSAJPFQGFFELBQ-NWDGAFQWSA-N 317.349 -0.199 30 20 DBED N#Cc1nccc(N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)CNC(N)=O)n1 1092937945 OEUMNYCWAQMOEE-BBBLOLIVSA-N 315.337 -0.758 30 20 DBED N#Cc1ccc(N2CCN(C(=O)CNC(=O)C3CC3)CC2)nn1 1093137666 JAZMMZAOHRUFAJ-UHFFFAOYSA-N 314.349 -0.477 30 20 DBED COC(=O)c1cnc(N2C[C@H]3C(NC(=O)[C@H](C)C#N)[C@@H]3C2)nc1 1093235197 JOZHHZDNJZNLLU-FBIMIBRVSA-N 315.333 -0.026 30 20 DBED COCCOCC(=O)NC1[C@@H]2CN(c3ccc(C#N)nn3)C[C@@H]12 1093254103 KIBGRQLBXYLYMK-VXGBXAGGSA-N 317.349 -0.438 30 20 DBED N#CCN1CC(n2cc(CNC(=O)c3cc[n+]([O-])cc3)nn2)C1 1094274597 PPFMCGWRBDFSSH-UHFFFAOYSA-N 313.321 -0.778 30 20 DBED C=CCN1CC(n2cc(CNC(=O)[C@H]3CCC(=O)N3C)nn2)C1 1094312650 KNJWDYUVPUSLTM-CYBMUJFWSA-N 318.381 -0.442 30 20 DBED Cc1cc(C#N)nc(NCCCNC(=O)[C@@H]2COCCN2C)n1 1094396022 ZTWYIPMVWGBQQL-ZDUSSCGKSA-N 318.381 -0.095 30 20 DBED C[C@H]1CN(C)C[C@@H]1C(=O)NCCCN=c1cc[nH]c(C#N)n1 1094796109 IWSKJYFHVXOOEM-RYUDHWBXSA-N 302.382 -0.114 30 20 DBED CCC(=O)NCC(=O)N1CCC[C@H](N=c2cc[nH]c(C#N)n2)C1 1095286689 DPMYWSDXFAFFSO-NSHDSACASA-N 316.365 -0.301 30 20 DBED CCN(CCCNC(=O)CNC(N)=O)c1nccnc1C#N 1095833832 CITBMEAHJWSGKE-UHFFFAOYSA-N 305.342 -0.651 30 20 DBED C[C@H](CNC(=O)[C@@H]1CCCNC1=O)Nc1ccc(C#N)nn1 1098120180 ABVGILBJRJKUJD-MWLCHTKSSA-N 302.338 -0.209 30 20 DBED C[C@H](CNC(=O)c1cn(C)c(O)n1)N=c1cc[nH]c(C#N)n1 1098240552 AURKIBVQJOETJH-MRVPVSSYSA-N 301.310 -0.560 30 20 DBED CC#CCN(CCO)C1CCN(C(=O)Cn2cnnc2O)CC1 1098351792 UCCPOZJKYNGZKE-UHFFFAOYSA-N 321.381 -0.708 30 20 DBED C=CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cn(CC(N)=O)nn1 1098461650 JUSWSUAPOXGUOD-FOGDFJRCSA-N 304.354 -0.716 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)C2CCCC2)[C@@H](O)C1 1099611731 WOSAKMKBXJKZRR-KGLIPLIRSA-N 307.394 -0.523 30 20 DBED CC[C@@H](NC(C)=O)C(=O)NCC[C@H](C)N=c1cc[nH]c(C#N)n1 1099708773 VUYNAEJLTJBULI-CMPLNLGQSA-N 318.381 -0.008 30 20 DBED C#CCCN1CC[C@H](NC(=O)CN(C)C(=O)C2CC2)[C@H](O)C1 1099863198 JVXSYWWJXKSWIA-UONOGXRCSA-N 307.394 -0.571 30 20 DBED C=C(Cl)CN1CC[C@H](NC(=O)CCS(C)(=O)=O)[C@@H](O)C1 1099892083 HIAWUASGJUZRHT-QWRGUYRKSA-N 324.830 -0.275 30 20 DBED C=CCNC(=O)CNC1CC(CNC(=O)CCn2ccnn2)C1 1100278415 SPMNAUYPVBVOOJ-UHFFFAOYSA-N 320.397 -0.545 30 20 DBED CCN(CCNC(=O)c1cnn(C)c1N)c1ccc(C#N)nn1 1100500130 XVMQHZFQSKRNNP-UHFFFAOYSA-N 314.353 -0.080 30 20 DBED CCN(CCNC(=O)[C@H]1CCC(=O)N1C)c1ccnc(C#N)n1 1100690225 RUPSYFYOWFCJGE-LLVKDONJSA-N 316.365 -0.088 30 20 DBED CC(=O)NCC(=O)NC[C@H]1CCN(c2cnc(C#N)cn2)C1 1100925924 JEGRGQLBZMHZRA-LLVKDONJSA-N 302.338 -0.573 30 20 DBED CCCN(CCNC(=O)[C@H]1CCNC1=O)c1ccnc(C#N)n1 1101220763 QHYLUVNHOYXGPW-NSHDSACASA-N 316.365 -0.183 30 20 DBED C[C@@H](C#N)C(=O)NCCN(c1ccc2nnnn2n1)C1CC1 1101320549 YAGGDTRCLYAOPN-VIFPVBQESA-N 300.326 -0.236 30 20 DBED N#Cc1nccnc1N(CCNC(=O)CCNC(N)=O)C1CC1 1101345635 YFTAVLBUPZPIKR-UHFFFAOYSA-N 317.353 -0.508 30 20 DBED N#Cc1nccnc1N(CCNC(=O)Cc1nc[nH]n1)C1CC1 1101385185 KMZZGZPWOUVBRW-UHFFFAOYSA-N 312.337 -0.206 30 20 DBED C=C[C@@](C)(O)CC(=O)N(C)CCNc1ccc2nnnn2n1 1101586036 QRVNQSAJLZTSDX-CYBMUJFWSA-N 305.342 -0.283 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1C 1101919534 QDUCFIHTNPWQTF-VXGBXAGGSA-N 308.382 -0.331 30 20 DBED Cc1cc(=NCCN(C)C(=O)c2c[nH]c(=O)cn2)c(C#N)c[nH]1 1101935321 MEDMKGJZAINQLR-UHFFFAOYSA-N 312.333 -0.049 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1101958942 YFGNCWYWFNWAHR-HZSPNIEDSA-N 320.393 -0.651 30 20 DBED CC[C@@H](CNC(=O)C(=O)NCC1CC1)N=c1cc[nH]c(C#N)n1 1103166357 VGCXHASAIQPRRK-NSHDSACASA-N 316.365 -0.397 30 20 DBED CC[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)Nc1ccc(C#N)cn1 1103277557 KSXXLAXADVGFJZ-QWRGUYRKSA-N 302.338 -0.059 30 20 DBED C#CCNC(=O)CNCC[C@@H]1CN(C(=O)[C@@H]2CCCO2)C[C@H]1C 1103853153 WDJHWPNIXVKVKA-KFWWJZLASA-N 321.421 -0.011 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)[C@@H]1COCCN1C 1103922399 BMOJOEKITHBHFR-RYUDHWBXSA-N 318.381 -0.735 30 20 DBED COC[C@@H](C)C(=O)NC[C@@H]1CN(c2ccnc(C#N)n2)CCO1 1104309486 BCBFDXICVWJSFT-VXGBXAGGSA-N 319.365 -0.048 30 20 DBED CN(CCN(C)c1ccnc(C#N)n1)C(=O)[C@H]1COC(=O)N1 1105393113 JWNCCEUTWBMFRX-SECBINFHSA-N 304.310 -0.649 30 20 DBED C#CCNC1CCC2(CC1)CN(C(=O)CC(=O)NC)CCO2 1105467989 RRFQDQHDZLWXBA-UHFFFAOYSA-N 307.394 -0.115 30 20 DBED CN(CCN(C)c1cnc(C#N)cn1)C(=O)C[C@@H]1CCNC1=O 1105483407 MZZMZZFBDZJHIL-NSHDSACASA-N 316.365 -0.231 30 20 DBED Cc1cc(=NC[C@@H](O)CNC(=O)C2CCOCC2)c(C#N)c[nH]1 1105701299 VVWBYHFJCCMFEE-CQSZACIVSA-N 318.377 -0.001 30 20 DBED CCOCCOCC(=O)NC[C@@H](O)CNc1nccnc1C#N 1105872091 MXOIQIGKMHOESB-LLVKDONJSA-N 323.353 -0.710 30 20 DBED C=CCO[C@H](C)C(=O)NC[C@@H](O)CNc1cnc(C#N)cn1 1105892315 VJPAZXNVERRXOA-PWSUYJOCSA-N 305.338 -0.172 30 20 DBED CO[C@H](C(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1)C1CCC1 1106037660 FDZWBSOKAHYRMD-FZMZJTMJSA-N 319.365 -0.526 30 20 DBED N#Cc1c[nH]ccc1=NC[C@H](O)CNC(=O)c1csc(O)n1 1106066240 AGLJUHWCMBXTEY-VIFPVBQESA-N 319.346 -0.260 30 20 DBED Cc1nc(NC[C@@H](O)CNC(=O)C2(C(N)=O)CC2)ccc1C#N 1106097954 NNCACZJXVYFUKI-LLVKDONJSA-N 317.349 -0.584 30 20 DBED N#Cc1cccnc1NC[C@H](O)CNC(=O)C1(C(N)=O)CC1 1106098665 YGEBXEINQXPRLO-JTQLQIEISA-N 303.322 -0.892 30 20 DBED N#Cc1cnc(NC[C@@H](O)CNC(=O)Cc2cnc[nH]2)c(F)c1 1106130538 VMSGNAGNHBKEPG-NSHDSACASA-N 318.312 -0.053 30 20 DBED C[C@@H](CCNc1cncc(C#N)n1)NC(=O)C1(C(N)=O)CC1 1106550598 ZEKXGRDLCMKIDW-VIFPVBQESA-N 302.338 -0.080 30 20 DBED N#Cc1nccnc1NC/C=C/CNC(=O)[C@@H]1COCCO1 1107050185 DQYFOAHTEREIEI-ISUDXETCSA-N 303.322 -0.152 30 20 DBED C[C@](O)(CC(=O)NCc1cn(C2CN(CC#N)C2)nn1)C1CC1 1107160752 ICPZIULACLNNDC-HNNXBMFYSA-N 318.381 -0.174 30 20 DBED N#Cc1c[nH]ccc1=NC/C=C/CNC(=O)[C@@H]1CCC(=O)NC1 1107592279 BEKBEIKBCGBUHN-YYRQZUAOSA-N 313.361 -0.014 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)COc2cnn(C)c2)C1 1108161904 JGIKAVCNMHTZSG-OAHLLOKOSA-N 306.366 -0.361 30 20 DBED C=CCCN1CC(N2C[C@@H](NC(=O)CNC(=O)OC)CC2=O)C1 1108511950 ZFUKAFQNTQLQTH-NSHDSACASA-N 324.381 -0.680 30 20 DBED CNC(=O)CC(=O)N1C[C@@H](C)[C@@H](CNc2cncc(C#N)n2)C1 1111240601 DTDRSJJDEZHMSV-MNOVXSKESA-N 316.365 -0.009 30 20 DBED N#Cc1c[nH]ccc1=NC1(CNC(=O)[C@H]2COC(=O)N2)CCC1 1111803880 VBKGDIHBSGJNAR-GFCCVEGCSA-N 315.333 -0.066 30 20 DBED C[C@H]1CN(c2ccncc2C#N)CC[C@H]1NC(=O)CNC(N)=O 1112392470 HGWIJJPZXRLERM-CMPLNLGQSA-N 316.365 -0.047 30 20 DBED C=C(Cl)CN1CCN(C(=O)CNS(=O)(=O)CC)CC1 1112914801 FLIHGUPPRVFMRG-UHFFFAOYSA-N 309.819 -0.178 30 20 DBED C[C@H](NC(=O)c1c[nH]c(=O)cn1)[C@@H](C)N=c1cc[nH]c(C#N)n1 1113294471 ZIZHZGWBYXJLQV-BDAKNGLRSA-N 313.321 -0.528 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)N(C)c1ncc(C#N)cc1F 1113869429 MTKDDKZJQJACID-KWQFWETISA-N 320.328 -0.285 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)Cn3nccn3)[C@H]2C1 1114336398 OGZUDYDNUHWJOL-SRVKXCTJSA-N 318.381 -0.985 30 20 DBED Cc1coc(C(=O)N[C@H]2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]32)c1 1114711088 OYNGYHQNGIIYIN-YABSGUDNSA-N 302.334 -0.112 30 20 DBED C[C@H](NC(N)=O)C(=O)N[C@H](C)CCCN=c1cc[nH]c(C#N)n1 1114905619 STSAKNCAYPEPSI-ZJUUUORDSA-N 319.369 -0.476 30 20 DBED CN(C(=O)CC(N)=O)[C@@H](CNc1nccnc1C#N)C1CC1 1115486137 FISJWCXZOMNAEO-NSHDSACASA-N 302.338 -0.127 30 20 DBED N#Cc1ccnc(N2CCN(C(=O)C(=O)N3CC(F)C3)CC2)c1 1117928322 NBEOHVGHSCPCNU-UHFFFAOYSA-N 317.324 -0.218 30 20 DBED C=CCC1(O)CCN(C(=O)C(=O)NC[C@@H]2CNCCO2)CC1 1119423816 RZKRDMRPRQAHLC-LBPRGKRZSA-N 311.382 -0.979 30 20 DBED Cc1cnc(C(=O)NC[C@@H](CO)Nc2cncc(C#N)n2)cn1 1121150256 IOVQTUPAMGKEMB-NSHDSACASA-N 313.321 -0.351 30 20 DBED Cc1cc(CC(=O)NC[C@H](CO)Nc2ccc(C#N)nn2)n[nH]1 1121288096 OTDGGLQQFWXZRS-GFCCVEGCSA-N 315.337 -0.489 30 20 DBED Cc1nc(N[C@H](CO)CNC(=O)c2ncn(C)n2)ccc1C#N 1121432141 JFNASGJZWISZQL-NSHDSACASA-N 315.337 -0.407 30 20 DBED Cn1nnc2c(N[C@H](CO)CNC(=O)C#CC3CC3)ncnc21 1121439955 XUJFREKXDXOBLQ-JTQLQIEISA-N 315.337 -0.939 30 20 DBED Cc1cn(C)nc1C(=O)NC[C@@H](CO)Nc1ccc(C#N)nn1 1121447544 ZCQURBYTMKBCME-NSHDSACASA-N 315.337 -0.407 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H](CO)N=c1cc(C)[nH]cc1C#N 1122037710 ZADCXMCPSIPENL-JSGCOSHPSA-N 316.361 -0.389 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1cnc2[nH]cnc2c1 1128417848 HKCAUHQBLFISGD-UHFFFAOYSA-N 302.338 -0.421 30 20 DBED CCC[C@@H](OC)C(=O)N1C[C@H](n2ccnn2)[C@H](NCC#N)C1 1129970670 YSUBFNQTOIUKLR-FRRDWIJNSA-N 306.370 -0.042 30 20 DBED Cc1n[nH]c(C)c1[C@@H](C)CC(=O)NCCNCC(=O)NCC#N 1130460719 WUSCHGXHAXLXHM-JTQLQIEISA-N 320.397 -0.134 30 20 DBED CC#CCN[C@@H]1CN(C(=O)CNC(C)=O)C[C@H]1c1cn(C)cn1 1130480399 LVURIIXRBKHKQJ-DZGCQCFKSA-N 317.393 -0.537 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1c(C)cc(=O)oc1C 1131075418 GGJCELMVPCNKGO-NSHDSACASA-N 319.361 -0.286 30 20 DBED COCC#CCN1C[C@H]2C[C@@H]3CN(C(=O)CCOC)C[C@@]3(C1)O2 1131174439 OTTQHVFOCKGLFX-BFYDXBDKSA-N 322.405 -0.026 30 20 DBED C=CCOCCNCCNC(=O)[C@@H]1CN2CC3CC2(CO1)C3 1131519966 PFGVTJQNXOSGKC-BBBYJDLNSA-N 309.410 -0.242 30 20 DBED C#CCNC[C@@H]1CN(C(=O)CNS(=O)(=O)CC)CC[C@@H]1C 1132864906 FEYFDFFRGMECFZ-QWHCGFSZSA-N 315.439 -0.367 30 20 DBED Cc1ncc(C(=O)N[C@H](C)C[C@H](C)NCC(=O)NCC#N)[nH]1 1133916047 BYFVDMIVIILILV-VHSXEESVSA-N 306.370 -0.156 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1ccc2nccn2c1 1147434975 NOZBWMJTUSRDDT-UHFFFAOYSA-N 301.350 -0.044 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@H](C)Oc1ccccn1 1148122886 YUSKAIFZKSNXKU-OLZOCXBDSA-N 318.377 -0.307 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)c1ccncn1)C2 1148462755 PFRRRCWNQMKTKQ-UHFFFAOYSA-N 313.361 -0.626 30 20 DBED COCC#CCN1CCCO[C@@H](CNC(=O)c2cnn(C)c2)C1 1149128629 BTZJQVGWLDHWMB-HNNXBMFYSA-N 320.393 -0.109 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1cccc(C(=O)NC)n1 1149470049 QLKCEXXYDSJDAP-UHFFFAOYSA-N 319.365 -0.937 30 20 DBED N#CCN1CCCO[C@@H](CNC(=O)CCCn2cncn2)C1 1150546395 FCZXNCKWCZOHAD-ZDUSSCGKSA-N 306.370 -0.211 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)CNC(=O)C1CCC1 1152324291 ORMHHKIZKUZBPE-LLVKDONJSA-N 310.398 -0.701 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)CCc2cn(C)nn2)C1=O 1153771361 XOGVOLKWJGSVOX-CYBMUJFWSA-N 320.397 -0.760 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@H]1CCn2cncc2C1 1161209632 SLOBVLCNDLCFSE-ZDUSSCGKSA-N 319.409 -0.156 30 20 DBED C#CCNC(=O)CNCCCNC(=O)Cc1cc(C)nn1C 1162452012 YPSFTZRJNRFXNE-UHFFFAOYSA-N 305.382 -0.884 30 20 DBED C=CCNC(=O)NC(=O)CNCCCNC(=O)c1nc(C)c[nH]1 1167963986 SGVWLWWQJMCMMB-UHFFFAOYSA-N 322.369 -0.561 30 20 DBED C=CCN(CC=C)C(=O)CNCCCC[C@@H](C)NC(=O)C(N)=O 1175033321 MVUMEMSGVORYJB-CYBMUJFWSA-N 324.425 -0.063 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@@H](NC(C)=O)C(C)(C)C 1177494361 DZPFZFSDTTXMME-CQSZACIVSA-N 324.425 -0.618 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)c2csnn2)[C@H]1C 1179244651 CCYPGBXNFMAKFS-DCAQKATOSA-N 321.406 -0.131 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)Cc2cnoc2)[C@H]1C 1179388964 VJQUUJOCIYXQTD-AAEUAGOBSA-N 304.350 -0.455 30 20 DBED C#CCNCCCCCCNC(=O)c1cn(CC(N)=O)nn1 1180369594 MZXJNRAQKNZBNW-UHFFFAOYSA-N 306.370 -0.724 30 20 DBED CCCn1nccc1C(=O)N1CC[C@@H](NCC(=O)NCC#N)C1 1182888283 UZNSXBZTLKEQNL-GFCCVEGCSA-N 318.381 -0.263 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2onc(C)c2C)C1 1183516331 GLPOQSXOIDFCFW-GFCCVEGCSA-N 304.350 -0.155 30 20 DBED C[C@@H]1CN(C(=O)c2cn(C)c(=O)cn2)CC[C@H]1CNCC#N 1184852558 WYBBUWZPMXFZAK-NEPJUHHUSA-N 303.366 -0.008 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2C)C1 1184981902 PMSRNIRWFMKWFZ-NEPJUHHUSA-N 308.382 -0.900 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2cc(Cl)no2)C1 1187276728 SGYFZVAUDXPMCT-SECBINFHSA-N 310.741 -0.119 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)[C@@H](C)n2cncn2)C1 1189695520 JUFYJJPOXCUNNC-CHWSQXEVSA-N 318.381 -0.879 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@H]1CCN(C(=O)CC(C)(C)O)C1 1189893152 JMKBRNWKAGUAEH-OLZOCXBDSA-N 309.410 -0.182 30 20 DBED C=CCN1C[C@@H]2CCN(C(=O)CS(=O)(=O)N(C)C)[C@@H]2C1 1189992924 SKROBGVSINSGLZ-NWDGAFQWSA-N 301.412 -0.404 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)c2ccc[nH]2)C1 1190989782 ISPHBGNKMTVZOR-CYZMBNFOSA-N 306.366 -0.520 30 20 DBED COc1coc(CN2C[C@@H](O)[C@H](NC(=O)[C@H](C)C#N)C2)cc1=O 1191881918 LJZZLDHGEAMSEK-IRUJWGPZSA-N 321.333 -0.531 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 1192247748 ALXZPLWFYSQRIJ-ZIAGYGMSSA-N 302.334 -0.689 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(CCOCC2CC2)C[C@H]1O 1192540227 MXBDVTRYOSXFOK-IIAWOOMASA-N 312.410 -0.099 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2nccs2)C[C@H]1O 1192891611 OIKNALCYQSHSGP-QJPTWQEYSA-N 309.391 -0.157 30 20 DBED C=C(C)C(C)(C)C(=O)N[C@@H]1CN(Cc2nnn(C)n2)C[C@H]1O 1195255412 SPUTWWPFDNKATG-GHMZBOCLSA-N 308.386 -0.526 30 20 DBED C=CCN1CCCN(C(=O)CNC(=O)Cn2cncn2)CC1 1198236485 LXXHKWBOVLXAPF-UHFFFAOYSA-N 306.370 -0.885 30 20 DBED C[C@H](C#N)C(=O)N1CCC(NCC(=O)NC(=O)NC2CC2)CC1 1199826130 GHNSXDBAHLBPEU-SNVBAGLBSA-N 321.381 -0.285 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)CCn2ccnn2)CCCO1 1200368007 UZQZAGDTFLUASU-CQSZACIVSA-N 305.382 -0.101 30 20 DBED COC[C@@]1(C(=O)N2CCCO[C@@H](CNCC#N)C2)CCOC1 1201089703 QPGUBBUOPJNIKS-ZFWWWQNUSA-N 311.382 -0.230 30 20 DBED N#CCNC(=O)CNCC1CCN(C(=O)c2cnns2)CC1 1204613522 CMZHRGAFRYZVEM-UHFFFAOYSA-N 322.394 -0.380 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2nn(C)cc2C)[C@H](C)C1 1206944053 QZFQAVFCDACRAI-DGCLKSJQSA-N 317.393 -0.472 30 20 DBED CC#CCN1C[C@@H](NC(=O)CCc2nnc(O)nc2O)[C@H](C)C1 1207854222 CECGURRIWGDOBB-ZYHUDNBSSA-N 319.365 -0.325 30 20 DBED Cc1cc(C(=O)N2CCC[C@@H](NCC(=O)NCC#N)C2)cnn1 1207893825 WIKOAFYEUFFKIX-CYBMUJFWSA-N 316.365 -0.381 30 20 DBED N#CCNC(=O)CN[C@H]1CCCN(C(=O)c2nccs2)C1 1210266175 ZFWNPRYKHMBLJO-JTQLQIEISA-N 307.379 -0.023 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)c2[nH]cnc2CC)C1 1210885929 TWORBRDDOULMGP-GFCCVEGCSA-N 317.393 -0.084 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)Cn2ccnc2)[C@H](C)C1 1211451597 BVHDJXWYXACOGI-HZSPNIEDSA-N 317.393 -0.543 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2[C@@H](C1)OCCN2C(=O)CCC 1217190566 ITLNCZHOMZKQLJ-MELADBBJSA-N 307.394 -0.164 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)COC[C@H]1CCOC1 1218715499 HNEXTOJQUJAVDT-HRCADAONSA-N 322.405 -0.026 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CN(CC(=O)NC2CCCCC2)C[C@@H]1O 1219366118 ROXPEXMBGBXHQH-YUTCNCBUSA-N 322.409 -0.244 30 20 DBED CC(C)(C)C#CC(=O)N[C@@H]1CN(CCn2cncn2)C[C@@H]1O 1219598403 WNFDWIQPVYEJHU-OLZOCXBDSA-N 305.382 -0.511 30 20 DBED C=CCCCC(=O)N[C@@H]1CN([C@H](C)C(=O)NC(N)=O)C[C@@H]1O 1220249393 HAYRZCXSPLRKNS-MXWKQRLJSA-N 312.370 -0.913 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@H](CCCC)NC(N)=O)C1 1221159146 HPWRECUKKHYEFG-XQQFMLRXSA-N 310.398 -0.602 30 20 DBED COCC#CCN1CC[C@@H]2CN(C(=O)CO[C@@H]3CCOC3)[C@@H]2C1 1221546210 LBGVEAQBOMILOM-BZUAXINKSA-N 322.405 -0.026 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)[C@H](O)C(C)C)CC1 1223057161 DQSWDRVHPJWJJW-OAHLLOKOSA-N 309.410 -0.419 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC(NC(=O)[C@H]2CCCN2C)CC1 1226608657 PFXACXJWJYZHDT-UKRRQHHQSA-N 320.437 -0.201 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)[C@@H]2COCCN2C)CC1 1226906080 MDXREHFSWSDLLM-AWEZNQCLSA-N 324.425 -0.800 30 20 DBED COC[C@H](O)CN1CC[C@H]1CN(C)C(=O)CSCC#N 1230815286 MXNUDNZRKDBIPS-NWDGAFQWSA-N 301.412 -0.217 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)CCCNC(=O)c1cc(C)[nH]n1 1234559600 DJJYHAQJCQKDHI-GFCCVEGCSA-N 305.382 -0.092 30 20 DBED C#CCSCCNC(=O)C(=O)NC1CCN(CC#N)CC1 1258234664 FGGQLYLCZWSFAY-UHFFFAOYSA-N 308.407 -0.427 30 20 DBED C=CCCCn1nnnc1N1CC[C@H](S(=O)(=O)NC)C1 1262419006 VZKYNIDAGCOAEJ-JTQLQIEISA-N 300.388 -0.233 30 20 DBED C#CCNC(=O)CNC[C@H]1CCCN1C(=O)[C@@H](CC)N(C)C 1267957905 BNJUNAQVCPOVLZ-ZIAGYGMSSA-N 308.426 -0.343 30 20 DBED C=C(C)CCNC(=O)[C@@H]1[C@@H](c2cnn(C)c2)N(C)C(=O)[C@@H]1O 1298210826 ZHMMYQGINOWDLI-JHJVBQTASA-N 306.366 -0.007 30 20 DBED C=CCNC(=O)CNC(=O)N1CCC(N2CCNC2=O)CC1 1320096042 YVSTUZSKMFOTTA-UHFFFAOYSA-N 309.370 -0.512 30 20 DBED CNC(=O)[C@@H]1CN(C(=O)NC2CCN(CC#N)CC2)CCO1 1323642600 SSGAWTWGGCWQJX-LBPRGKRZSA-N 309.370 -0.869 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N2CCOC[C@H]2C2CCC2)CCO1 1326242031 UKZKVCQESGTETE-OLZOCXBDSA-N 307.350 -0.235 30 20 DBED CC(C)N1CCCN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)CC1 1327022653 FPIUXMZWUYJMFF-INIZCTEOSA-N 322.409 -0.194 30 20 DBED C=CCN(C(=O)C(=O)N[C@H]1CCN(S(C)(=O)=O)C1)C1CC1 1328986137 YQDBWXVJXLHFOC-JTQLQIEISA-N 315.395 -0.687 30 20 DBED C=C[C@H](CO)NC(=O)C(=O)Nc1cccc(O[C@@H]2CC(=O)N2)c1 1329784022 HPMIMIPFKUFGAX-NOZJJQNGSA-N 319.317 -0.487 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CCCC[C@H]1CNC(C)=O 1330731575 NVPXYGFOXRPOOV-OLZOCXBDSA-N 311.382 -0.179 30 20 DBED CCn1cc(NC(=O)C(=O)N2CC[C@](O)(CC#N)C2)ccc1=O 1332174988 WWTLIUDEPKAQHB-OAHLLOKOSA-N 318.333 -0.316 30 20 DBED C[C@H](CN1CCOCC1)NC(=O)C(=O)N1CCC[C@@](C)(C#N)C1 1340480345 WWVGFKANDBHOOU-CJNGLKHVSA-N 322.409 -0.024 30 20 DBED C=CCn1c([C@@H](O)COC)nnc1N1CCO[C@H](COC)C1 1342470842 DMONMWNSIAJDQG-RYUDHWBXSA-N 312.370 -0.005 30 20 DBED C#CCN1CCN(C(=O)CN[C@@H]2CCC[C@@H]2C(=O)OC)CC1 1346243669 JWMGIIRTNITLDN-UONOGXRCSA-N 307.394 -0.305 30 20 DBED CCONC(=O)CNC(=O)C(=O)NCC1CCC(C#N)CC1 1346386524 GCFBMPMELSOLBU-UHFFFAOYSA-N 310.354 -0.384 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)NCC(=O)N1CCCC1 1352402412 RKVJQVLFPRSTRV-LBPRGKRZSA-N 309.366 -0.730 30 20 DBED N#CC1CCN(C(=O)c2nc(N)nc(N3CCOCC3)n2)CC1 1362179529 UTSFFEPPLRAKIM-UHFFFAOYSA-N 317.353 -0.334 30 20 DBED CC(C)(O)C1CN(C(=O)CCn2cc(C#N)c(O)nc2=O)C1 1362925779 PDKLBKBHNMYTRB-UHFFFAOYSA-N 306.322 -0.560 30 20 DBED Cn1cc(N2CCN(c3[nH]c(=O)n(C)c(=O)c3C#N)CC2)cn1 1363144529 VBCXQSHGFBVKKK-UHFFFAOYSA-N 315.337 -0.995 30 20 DBED CCN(C[C@H](C)C#N)C(=O)CN1CC[C@H](CS(N)(=O)=O)C1 1363318061 ASJDIAUAPZOIPU-NEPJUHHUSA-N 316.427 -0.395 30 20 DBED C[C@@H]1C[C@@H](NS(=O)(=O)N2CCO[C@@H](C#N)C2)c2nccn21 1364866279 SMTKKGUVDZAUFZ-OUAUKWLOSA-N 311.367 -0.052 30 20 DBED CCc1nc(CNC[C@H](O)CNC(=O)c2cc(C#N)c[nH]2)no1 1367573130 UAZSBHNLABBMRP-JTQLQIEISA-N 318.337 -0.288 30 20 DBED C[C@@H](C#N)C(=O)NCc1nc(O)cc(CNCC(=O)N(C)C)n1 1375608461 XRROYPUIYDIRDD-VIFPVBQESA-N 320.353 -0.864 30 20 DBED C[C@H](CNC(=O)c1ccc(=O)n(C)n1)CNC(=O)[C@@H](C)C#N 1375765799 XVHYGBUXGDNLKQ-UWVGGRQHSA-N 305.338 -0.578 30 20 DBED C[C@@H](CNC(=O)[C@H]1CC(=O)N(C)C1)NC(=O)c1cc(C#N)c[nH]1 1386308187 NEKCWUFABPGKJF-ONGXEEELSA-N 317.349 -0.401 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CCCN1C(=O)CCn1cnnn1 1391109725 KETYHTLQPSGHKX-GHMZBOCLSA-N 305.342 -0.670 30 20 DBED CCc1cc(C(=O)NC[C@H](O)CNC(=O)[C@@H](C)C#N)nn1C 1392127818 GZXBTXOPXYUCLD-GXSJLCMTSA-N 307.354 -0.651 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CCCN(C(=O)[C@H]2CCC(=O)N2C)C1 1398538748 IAKKHMFENWGCMW-GRYCIOLGSA-N 306.366 -0.126 30 20 DBED C=C(Br)CNC[C@@H](O)CNC(=O)CN(C)C(C)=O 1401486888 IHISQJFHKDZYOT-SNVBAGLBSA-N 322.203 -0.560 30 20 DBED CCCS(=O)(=O)CC(=O)N(C)CCNC(=O)[C@H](C)C#N 1408673833 IWWPONFYYDOBTN-SNVBAGLBSA-N 303.384 -0.455 30 20 DBED N#Cc1cc(CNC(=O)Cn2nc3n(c2=O)CCCC3)ccn1 1412102553 WIJIJBCCXWHWBH-UHFFFAOYSA-N 312.333 -0.036 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)c2ccc(S(N)(=O)=O)nc2)C1 1413178626 KFUWNOKNIFSMIJ-GFCCVEGCSA-N 310.335 -0.780 30 20 DBED N#Cc1ccc(S(=O)(=O)CCN2C[C@@H](CO)[C@@H](CO)C2)cc1 1422160674 IRRNAMJBJCUXHQ-OKILXGFUSA-N 324.402 -0.135 30 20 DBED C=C(Cl)CNC[C@@H](C)NC(=O)CNC(=O)CNC(C)=O 1422520366 WGSJNSPLBLUYPS-SECBINFHSA-N 304.778 -0.915 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](C)CN(C)C(=O)CNC(=O)N1CCCC1 1427560043 OWRRSZLDWQJODH-NWDGAFQWSA-N 323.397 -0.085 30 20 DBED C[C@H](CNC(=O)c1ccc(C#N)[nH]1)NC(=O)CN1CCCC1=O 1430499969 ANZTXMFJYXRNKZ-SNVBAGLBSA-N 317.349 -0.257 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](C)CNCC(=O)NC1CCOCC1 1438473370 CNPOZNDMPUCEDD-NEPJUHHUSA-N 310.398 -0.217 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)CCCC(N)=O)C2)[nH]1 1453546493 BLWWAJCSVSMCQO-LLVKDONJSA-N 317.349 -0.127 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1cccc2nc[nH]c12 1458024984 OHGZWGCSGMKJQE-VHSXEESVSA-N 315.333 -0.071 30 20 DBED C[C@@H]1C[C@H](NC(=O)NCCn2cc(C#N)c(O)nc2=O)CCO1 1469415981 BZAWHCKJCBBXHM-MWLCHTKSSA-N 321.337 -0.313 30 20 DBED C[C@@H]1CCCN1CCNC(=O)Cn1cc(C#N)c(O)nc1=O 1472547965 LTZXTLPDEJEXKL-SNVBAGLBSA-N 305.338 -0.579 30 20 DBED CN(C[C@H](O)CNCc1ccnn1C)C(=O)c1cc(C#N)c[nH]1 1507471672 SLQPVBVSOODLKV-CYBMUJFWSA-N 316.365 -0.157 30 20 DBED CNC(=O)NCC(=O)N1CCCC2(C1)CN(C(=O)[C@@H](C)C#N)C2 1509790333 DQMYDGPCHQJWOL-NSHDSACASA-N 321.381 -0.474 30 20 DBED C=CCn1c(CCOC)nnc1N(C)CCNS(C)(=O)=O 1520296747 QJFVUWGSYBDEAT-UHFFFAOYSA-N 317.415 -0.362 30 20 DBED CC(C)[C@H](C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[nH]1)N(C)C 1573982018 LJSYLNIZOOQASQ-SECBINFHSA-N 303.330 -0.014 30 20 DBED Cc1cc(C#N)c(O)nc1C(=O)N[C@H]1CN(C(=O)O)C[C@H]1CO 1574128034 RZMHXZPBHBYVHX-UWVGGRQHSA-N 320.305 -0.332 30 20 DBED C#CCNS(=O)(=O)N1CCN(CC[C@H]2CCNC2)CC1 1574735756 FSVWOBHUALMHCE-CYBMUJFWSA-N 300.428 -0.929 30 20 DBED C#CCCNC1CCN(CCNC(=O)[C@H]2C[C@@H]2C(=O)O)CC1 1588453718 OWUJEZJWLIGWNM-KBPBESRZSA-N 307.394 -0.099 30 20 DBED C#CCNC(=O)CN1CCC(N(C)C(=O)[C@H]2C[C@@H]2C(=O)O)CC1 1588483799 JGZBAHZAGIRHSY-STQMWFEESA-N 321.377 -0.621 30 20 DBED C[C@@H]1CCN(CC(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[nH]2)C1 1590272478 SJXLTVGYIXHEHG-SSDOTTSWSA-N 301.314 -0.258 30 20 DBED N#CCNC[C@@H](NC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C1CC1 1592678624 FZRLOUKJMBEQME-LLVKDONJSA-N 300.326 -0.184 30 20 DBED N#CCSCC(=O)N1CCN(C(=O)[C@H]2C[C@@H]2C(=O)O)CC1 1601076331 PHRYUJSBAOBNBF-UWVGGRQHSA-N 311.363 -0.365 30 20 DBED Cc1nc(-c2nn[nH]n2)c(C#N)n1CC(=O)NC1(C#N)CCC1 1606017663 KVVXKGUVQRHCAR-UHFFFAOYSA-N 311.309 -0.194 30 20 DBED CC(=O)N1CCN(C(=O)Cn2c(C)nc(C#N)c2C#N)CC1 1647155520 NRSBQCAHBDFRNJ-UHFFFAOYSA-N 300.322 -0.374 30 20 DBED N#C[C@@H]1CN(C(=O)NCCN2CCNC2=O)CCN1C1CC1 1647380210 BYWZRHQUGRISKU-GFCCVEGCSA-N 306.370 -0.607 30 20 DBED CCN(CCCNC(=O)c1cnn(C)c1)CC(=O)NCC#N 1752166693 PNCMRVDQPKEWHM-UHFFFAOYSA-N 306.370 -0.498 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@H](C)NCc1nnn(C)n1 1752902624 FOCWZYJQQYKEEE-CMPLNLGQSA-N 323.401 -0.725 30 20 DBED C=CCOCC(=O)N1CC[C@H](CN[C@@H](C)c2nnnn2C)C1 1752932614 QAOJUIOJPODWLP-NWDGAFQWSA-N 308.386 -0.088 30 20 DBED C=CCn1cc(C(=O)N(C)CCNCC(=O)N2CCC2)nn1 1753239259 NQZRLZPNXFGEPD-UHFFFAOYSA-N 306.370 -0.642 30 20 DBED CN(CCNCC(=O)NCC#N)C(=O)c1cn2ccccc2n1 1753257575 AUVMSEDSVFVUOE-UHFFFAOYSA-N 314.349 -0.364 30 20 DBED COCC(=O)NC[C@H](NCC(=O)NCC#N)c1ccccc1 1753295002 ZZOIDRRTIDOZLJ-ZDUSSCGKSA-N 304.350 -0.280 30 20 DBED C#CCNC(=O)CNC[C@@H]1[C@@H](C)CCCN1C(=O)c1ncc[nH]1 1753818927 NTCKHQRRUJGMQV-QWHCGFSZSA-N 317.393 -0.011 30 20 DBED N#Cc1ccc(CN2CC[C@@](O)(CNC(=O)C(N)=O)C2)s1 1754754515 MCVJOBNYMGBSCZ-CYBMUJFWSA-N 308.363 -0.842 30 20 DBED C=CCN1CC(O)(CNC(=O)C[C@H]2CCCS2(=O)=O)C1 1754771218 PRYIMMWXCZGALF-LLVKDONJSA-N 302.396 -0.697 30 20 DBED CC(C)(C)C(=O)C(=O)NC1CC(CNCC(=O)NCC#N)C1 1755207364 WRIIWRDGQYYEQN-UHFFFAOYSA-N 308.382 -0.274 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@@H](C)CNC(=O)Cc1cc[nH]n1 1755293659 VAXXYZWVHBXFRZ-RYUDHWBXSA-N 305.382 -0.473 30 20 DBED C#CCCCC(=O)N1CC[C@@]2(C1)CN([C@H](C)C(N)=O)CCO2 1755400150 CUTRJFBISKZLOT-CJNGLKHVSA-N 307.394 -0.033 30 20 DBED C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)NCC(=O)NCC#N 1755608231 YAJVWELCEIYMOY-LOWDOPEQSA-N 308.382 -0.370 30 20 DBED CC#CCN[C@H](CO)CNC(=O)[C@H]1CCCN1c1ncccn1 1755631901 MTCAIUJJMRAEGP-UONOGXRCSA-N 317.393 -0.465 30 20 DBED C#CCCNC[C@H](O)CN(C)C(=O)[C@H]1CCc2nncn2C1 1755796918 WPPQAJIRZUNGKS-STQMWFEESA-N 305.382 -0.727 30 20 DBED C#CCNC(=O)CNC[C@@H](NC(=O)c1ccnn1C)C(C)(C)C 1755822889 YQUWHIXLLGOQQY-CYBMUJFWSA-N 319.409 -0.096 30 20 DBED C=CCOCC(=O)NC[C@H](O)CN(C)C(=O)c1cccc(O)n1 1756658321 RRWTWYMOFRGPHM-NSHDSACASA-N 323.349 -0.461 30 20 DBED CN1CCO[C@H](C(=O)N2CC[C@H]2CN(C)C(=O)C#CC2CC2)C1 1757288483 AUGLSIGVUMZDHK-GJZGRUSLSA-N 319.405 -0.210 30 20 DBED C#CCOCCC(=O)N(C)C[C@@H]1CCN1C(=O)CC(=O)NCC 1757289671 VPQPILOYJARARY-ZDUSSCGKSA-N 323.393 -0.388 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cncnc1C)CCO2 1783055370 XYNDSXZONFEAKQ-MRXNPFEDSA-N 314.345 -0.138 30 20 DBED COC[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C#CC(=O)O)C2 1793673938 GLIRCDRKDYLLDN-RVMXOQNASA-N 322.361 -0.005 30 20 DBED Cn1nncc1C(=O)N1CC2(CCCN2C(=O)CCC#N)C1 1842812295 JAVAIWPZTSXZGA-UHFFFAOYSA-N 302.338 -0.064 30 20 DBED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)c1cnsn1)C2 1846194952 KANLZQORMFVRIN-UHFFFAOYSA-N 320.330 -0.557 30 20 DBED C#CCNC(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 56360801 OZGWUPWUSXXXOP-UHFFFAOYSA-N 324.381 -0.002 30 20 DBED CNS(=O)(=O)CCNS(=O)(=O)Cc1ccc(C#N)cc1 231008938 FTOOGBWUMAUCOY-UHFFFAOYSA-N 317.392 -0.473 30 20 DBED CCOC(=O)c1cnn(Cc2nc(N)nc(N(C)C)n2)c1C#N 272419538 NHMUQSMYWRWZSW-UHFFFAOYSA-N 316.325 -0.187 30 20 DBED CCN(C[C@@H](C)C#N)C(=O)CN1CCNC(=O)[C@H]1CC(=O)OC 298744473 ZQHWDWUCDJUSND-NWDGAFQWSA-N 324.381 -0.642 30 20 DBED CS(=O)(=O)N1CCN(C/C(O)=N/[C@@H]2CN=C(O)C2)CC1 329451144 OVKRFWFNDDLADJ-VIFPVBQESA-N 304.372 -0.751 30 20 DBED C[C@H](O)CN1CCN(/C(O)=N/[C@@H]2CS(=O)(=O)C[C@@H]2C)CC1 329550228 AEWOZLWVOPTGGD-SDDRHHMPSA-N 319.427 -0.668 30 20 DBED C=C(C)[C@H]1OCC[C@H]1C(=O)NCCNS(=O)(=O)NC(C)C 331124443 NDJQJUHPTZUJAQ-VXGBXAGGSA-N 319.427 -0.084 30 20 DBED CN(C)CCOc1cc(C(=O)NCC(=O)NCC#N)ccn1 344180449 MWSPCHKDQPWDIQ-UHFFFAOYSA-N 305.338 -0.608 30 20 DBED CC(C)[C@H](C#N)NC(=O)[C@H]1OCC(=O)N(C)[C@H]1c1cnn(C)c1 348449515 NHEHDFDVGSZXAU-UBHSHLNASA-N 319.365 -0.017 30 20 DBED N#CCNS(=O)(=O)CCCS(=O)(=O)N[C@@H]1C=CCCC1 349587763 DOXMYPDJWKKHPY-LLVKDONJSA-N 321.424 -0.152 30 20 DBED COc1cc(C#N)ccc1S(=O)(=O)N(C)[C@H]1COC[C@@H]1O 352310460 KJFUVKLLWPVYFL-QWRGUYRKSA-N 312.347 -0.053 30 20 DBED N#CCNC(=O)CNC(=O)Nc1ccc2c(c1)C(=O)NC2=O 353258167 LIUOHPHNXYPCJU-UHFFFAOYSA-N 301.262 -0.669 30 20 DBED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCCOCC2)n1 359095175 QZNQIQCOVVKVTB-UHFFFAOYSA-N 305.338 0.523 30 20 DBED N#CCCCC(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 360262455 SATDMQPXQZCIEP-UHFFFAOYSA-N 305.338 0.374 30 20 DBED COC(=O)Cn1cc(S(=O)(=O)N(C)[C@H](C)CC#N)cn1 360408979 SRKRCCSEPWVDEB-SECBINFHSA-N 300.340 -0.021 30 20 DBED C=CCOC[C@@H](NS(=O)(=O)C[C@@H]1CCOC1)C(=O)OC 360618281 HYICFJXQXOALMQ-GHMZBOCLSA-N 307.368 -0.314 30 20 DBED C=CCCS(=O)(=O)N1CCC2(CC1)NC(=O)N(C)C2=O 408100026 PAULQQMQYDWWEZ-UHFFFAOYSA-N 301.368 -0.092 30 20 DBED C=CCCn1cc(C(=O)N(CC(N)=O)CC(=O)OCC)nn1 424619316 LAOUELYUACEONM-UHFFFAOYSA-N 309.326 -0.655 30 20 DBED N#Cc1ccc(N2C(=O)C[C@@H](NCCn3ncnn3)C2=O)cc1 563350385 XOQNKZGUVWRRQV-GFCCVEGCSA-N 311.305 -0.534 30 20 DBED CCOC(=O)c1ccc(CNC(=O)NCC(=O)NCC#N)o1 588746486 CFQVBLBLXHGKAL-UHFFFAOYSA-N 308.294 -0.105 30 20 DBED C[C@@H](O)[C@H](NS(=O)(=O)Cc1ccc(F)cc1C#N)C(=O)O 593251391 MRDVLSPGDUSCOW-HQJQHLMTSA-N 316.310 -0.049 30 20 DBED CN(C[C@@H]1CCCOC1)C(=O)C(=O)N1CCN(CCC#N)CC1 601452699 WUUDTYRNCUBIRY-AWEZNQCLSA-N 322.409 -0.071 30 20 DBED COCCN1C[C@H](C(=O)N2CCN(CCC#N)CC2)CC1=O 602205460 ARKMGCZAGIHMAY-CYBMUJFWSA-N 308.382 -0.461 30 20 DBED Cn1c(N[C@H]2CCN(CC3CC3)C2)c(C#N)c(=O)n(C)c1=O 609384279 COVHMWRJXSUQRP-NSHDSACASA-N 303.366 -0.148 30 20 DBED N#CCc1cccc(S(=O)(=O)N(CC(=O)O)CC(=O)O)c1 619470918 PJQWGLYFFXURAB-UHFFFAOYSA-N 312.303 -0.087 30 20 DBED CC#CC[C@@H](CO)NC(=O)[C@](C)(O)Cn1ccc(C)cc1=O 649182083 OVGQNEFZJZNUJJ-XJKSGUPXSA-N 306.362 -0.202 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(CC)[C@@H](C)C(=O)O)C1=O 663124460 OCZKYKXNMMAGAD-QMMMGPOBSA-N 311.294 -0.715 30 20 DBED CN(C)CCN(CCOCCO)S(=O)(=O)CC(C)(C)C#N 790026803 PRZXVYHVJSECIF-UHFFFAOYSA-N 321.443 -0.262 30 20 DBED C#CCOc1ccc(C(=O)NCC(=O)NCC(=O)OC)cc1 798134506 BFKDOXSPAADXHZ-UHFFFAOYSA-N 304.302 -0.282 30 20 DBED CON(CC1CCOCC1)S(=O)(=O)N1CCO[C@@H](C#N)C1 800981404 PASROZSUKJHIKD-LBPRGKRZSA-N 319.383 -0.254 30 20 DBED C=CCNC(=O)CNC(=O)[C@H]1CCCN1C(=O)C(F)(F)F 807206079 SGTVKBMBJJURDJ-MRVPVSSYSA-N 307.272 -0.042 30 20 DBED N#CCOc1ccc(CNC(=O)[C@@H]2CC(=O)NC(=O)N2)cc1 825704531 SRYGQKQEOQKBOF-NSHDSACASA-N 302.290 -0.197 30 20 DBED N#Cc1c(-c2nn[nH]n2)nc(N)n1CCNC(=O)C1CCCC1 826382589 LNKCTBUPIDGUFV-UHFFFAOYSA-N 315.341 -0.177 30 20 DBED C#CCOCCNC(=O)c1cc(C(=O)NCCOCC#C)[nH]n1 832103536 SSYSEMLIOBTVSC-UHFFFAOYSA-N 318.333 -0.831 30 20 DBED C#CCCN(CCOC)C(=O)NC1CCN(CC(=O)NC)CC1 853380835 ZFOVEFHKHWLIJT-UHFFFAOYSA-N 324.425 -0.122 30 20 DBED CC(C)[C@@](C)(C#N)NC(=O)COC(=O)[C@@H]1CC[C@H](C(N)=O)O1 860410251 KLOJUMUHUQLUFN-ISTVAULSSA-N 311.338 -0.383 30 20 DBED C#CCSCC(=O)N1CCN(S(=O)(=O)C2CC2)CC1 899129488 FCOUKZKEBOUTDC-UHFFFAOYSA-N 302.421 -0.011 30 20 DBED C#CC1(O)CN(S(=O)(=O)c2csnc2C(=O)OC)C1 908230746 ABWUNWKMHFSEEN-UHFFFAOYSA-N 302.333 -0.702 30 20 DBED C#CCN1CCC[C@H](NC(=O)Cn2nc3n(c2=O)CCCC3)C1 923552546 CVLTXBUKHPJPDF-ZDUSSCGKSA-N 317.393 -0.405 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](NC(=O)CN2CCCCC2=O)C1 941452329 WEMAXIHBMJYFFK-NWDGAFQWSA-N 306.366 -0.124 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@H](CNC(=O)C2=CCOCC2)C1 944561284 QCEOVKMPOQGTRX-DGCLKSJQSA-N 307.350 -0.164 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)C(N)=O)C[C@H]2C)nc1 945485229 RIPOQQPFWGIUSN-ZYHUDNBSSA-N 314.345 -0.485 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCN(CC(=O)NC)[C@H](C)C2)nn1 947792712 QTLCPTYHVJIJOW-VXGBXAGGSA-N 320.397 -0.207 30 20 DBED CS(=O)(=O)CC(=O)N1CC[C@@H]1CNC(=O)c1ccc(C#N)[nH]1 949445410 VVFABTFNONNJGY-SNVBAGLBSA-N 324.362 -0.738 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H](NC(=O)CN2CCOCC2)C1 951867649 JJOQSQSSRBQLFA-OLZOCXBDSA-N 308.382 -0.415 30 20 DBED CN(C(=O)c1cc(C#N)c[nH]1)C1CN(C(=O)[C@H]2CCC(=O)N2)C1 953989893 GUFFFBLAUNSRTH-LLVKDONJSA-N 315.333 -0.552 30 20 DBED CN(C(=O)c1ccc(C#N)[nH]1)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 954080064 TVLAOXGAZCHIFI-ZYHUDNBSSA-N 317.305 -0.166 30 20 DBED CN(C(=O)c1c[nH]c(C#N)c1)C1CN(C(=O)C(C)(C)C(N)=O)C1 954108097 LMTYYBCVUPYBBM-UHFFFAOYSA-N 317.349 -0.319 30 20 DBED N#CCN1CCC2(CC1)CCN(C(=O)Cn1ncnn1)CC2 957547749 ONKBDZDXJJNSLH-UHFFFAOYSA-N 303.370 -0.099 30 20 DBED N#CCN1C[C@@H](O)[C@H](CNC(=O)c2cnc(C3CC3)nc2)C1 958462956 JGQOCKHGYOGRBX-CHWSQXEVSA-N 301.350 -0.100 30 20 DBED C#CCCN1C[C@H](CNC(=O)c2cc(C(N)=O)ccn2)[C@@H](O)C1 958769459 IXYKSVDASNWYOJ-JSGCOSHPSA-N 316.361 -0.774 30 20 DBED C=CCN1C[C@@H](O)[C@@H](CNC(=O)c2cc(C(N)=O)ccn2)C1 958770332 OKQXKZFRDNCORB-WCQYABFASA-N 304.350 -0.611 30 20 DBED COc1cc(C(=O)NC[C@H]2COCCN2C(=O)[C@H](C)C#N)on1 964161722 CXSPOVMOEFFLKK-ZJUUUORDSA-N 322.321 -0.200 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@H](NC(=O)[C@H]2CC(=O)N(C)C2)C1 965971101 OWJCOWDUCOIBCN-TUAOUCFPSA-N 323.393 -0.635 30 20 DBED C#CCCN1CC[C@@H](C)[C@H](NC(=O)Cn2ccc(O)nc2=O)C1 967268751 MHIMHODFEYQHDT-CHWSQXEVSA-N 318.377 -0.201 30 20 DBED C=CC(C)(C)C(=O)N1CCOC2(CCN(C(=O)C(N)=O)CC2)C1 967695701 KXIDBZULXVTYMN-UHFFFAOYSA-N 323.393 -0.096 30 20 DBED Cc1ncccc1C(=O)N[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1O 969729488 IYYWKOXJNYESJR-WQAKAFBOSA-N 302.334 -0.149 30 20 DBED C[C@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)Cc1nc[nH]n1)C2 969806901 WNPMRUNGUFKYPG-VWYCJHECSA-N 302.338 -0.291 30 20 DBED CC#CCN1C[C@H]2CC[C@H]1CN2C(=O)c1nnc(O)nc1O 971565102 GYZBVQJGHKKTDP-VHSXEESVSA-N 303.322 -0.405 30 20 DBED CCN1C[C@@H](C(=O)N2CC[C@]3(CN(CC#N)CCO3)C2)CC1=O 972408455 OTGYXTQYIIPUJG-BBRMVZONSA-N 320.393 -0.318 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)[C@H]3CCN(C)C(=O)C3)[C@H]2C1 976795177 AUYZSOAIAGTTJV-MOWSAHLDSA-N 318.377 -0.413 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)CN3CCCCC3=O)[C@H]2C1 976805949 CKNHFZFJEOAHFR-UUIJZJDISA-N 318.377 -0.268 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](CNC(=O)c2cc(=O)n(C)o2)C1 983213979 GVYXBTROBCWWKC-UWVGGRQHSA-N 306.322 -0.284 30 20 DBED C=CCn1cc(C(=O)N2CCC[C@@H](N(C)C(=O)C(N)=O)C2)nn1 984204896 ITFPQYJLURJGRS-SNVBAGLBSA-N 320.353 -0.988 30 20 DBED N#Cc1c[nH]c(C(=O)NC2CN(C(=O)C[C@H]3CCC(=O)N3)C2)c1 990695792 NWYFLOZPGUWGMQ-SNVBAGLBSA-N 315.333 -0.504 30 20 DBED C=C(C)C(C)(C)C(=O)N1CC(NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 991559783 XQEJUNJWXVKCRO-JTQLQIEISA-N 322.365 -0.486 30 20 DBED N#Cc1cc(C(=O)N2CC(NC(=O)c3c[nH]c(=O)cn3)C2)c[nH]1 998573567 MFTKFAYHKPOGDU-UHFFFAOYSA-N 312.289 -0.776 30 20 DBED C=CCn1cc(C(=O)N2CCC[C@H](N[C@@H](C)C(N)=O)C2)nn1 1000401627 FWKSUFXDYKYOQJ-QWRGUYRKSA-N 306.370 -0.468 30 20 DBED C#CCN1CCC(N(C)C(=O)Cn2nc(C)n(C)c2=O)CC1 1006355416 HQZQZRJWBYXNJM-UHFFFAOYSA-N 305.382 -0.554 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@H](CNC(=O)c3c[nH]c(=O)cn3)[C@H]2C1 1009438959 OKUKVZZVXNJFCN-DBIOUOCHSA-N 315.333 -0.636 30 20 DBED N#Cc1cc(C(=O)N2CCN(C(=O)c3cnon3)CC2)c[nH]1 1011027906 HTUCRZGYAUJMNK-UHFFFAOYSA-N 300.278 -0.132 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2COC(=O)N2)CC1 1011076561 JVMDKEMANVGGCD-UTUOFQBUSA-N 323.349 -0.643 30 20 DBED NC(=O)[C@@H]1CC[C@H]1C(=O)N1CCN(C(=O)C#CC2CC2)CC1 1011107251 CGFCXGATYKAUNG-CHWSQXEVSA-N 303.362 -0.418 30 20 DBED C[C@@H]1CCN(C(=O)C(=O)N2CCN(C(=O)C#CC3CC3)CC2)C1 1011109362 BBOKABCRKVWKHL-CYBMUJFWSA-N 317.389 -0.061 30 20 DBED C=CCn1cc(C(=O)N2CCN(C(=O)c3cnon3)CC2)nn1 1011154831 NENMJCYPKXUXKQ-UHFFFAOYSA-N 317.309 -0.555 30 20 DBED Cc1nc(CC(=O)NC2[C@@H]3CN(C(=O)[C@H](C)C#N)C[C@@H]23)n[nH]1 1013063675 OSWNLBHOYZWHOF-SZEHBUNVSA-N 302.338 -0.612 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2C(NC(=O)c3nc[nH]n3)[C@@H]2C1 1013585360 HBKLZMDLMMPEEI-DBIOUOCHSA-N 317.349 -0.418 30 20 DBED N#CCN1CC[C@@H](NC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1 1015697595 WZRNMSFZPQEDMT-HZSPNIEDSA-N 320.393 -0.130 30 20 DBED C=CCn1cc(C(=O)N2CC3(CCN(C(=O)COC)C3)C2)nn1 1019035600 RJMQHXWXOLOLJB-UHFFFAOYSA-N 319.365 -0.215 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCN(C(=O)CCc3cnn[nH]3)C2)C1 1019366819 JREKAYWXNSKROR-LLVKDONJSA-N 316.365 -0.042 30 20 DBED C=CCN1CC[C@H](N[C@H]2C[C@H](NC(=O)[C@H]3COCCO3)C2)C1=O 1019998534 NAMTWPGJYDLNQD-XDQVBPFNSA-N 323.393 -0.575 30 20 DBED CN1CCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1024499853 ZFLHZJUVTKIGOB-QLFBSQMISA-N 319.405 -0.428 30 20 DBED CN(CC#N)[C@H]1CCCN(C(=O)CN2CCC(=O)NC2=O)C1 1027640676 ZOTLWZKMNXHSOP-NSHDSACASA-N 307.354 -0.625 30 20 DBED C#CCCN1CCCC[C@H](NC(=O)CN2CCNC(=O)C2)C1 1034341314 BMNLNNISRQUHNH-AWEZNQCLSA-N 306.410 -0.588 30 20 DBED C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H]1NC(=O)NC1=O 1039468127 VLPNRYAGBBDOSS-FRRDWIJNSA-N 318.377 -0.327 30 20 DBED C#CCCCC(=O)N1CC[C@](O)(CNC(=O)c2nonc2C)C1 1040221804 ZHWYWFFSZAXWJB-HNNXBMFYSA-N 320.349 -0.125 30 20 DBED C=CC(C)(C)C(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2CCC(=O)N2)C1 1040487945 HHQNLLNBBGKQJO-MEDUHNTESA-N 323.393 -0.443 30 20 DBED Cc1cnoc1C(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1O 1041152197 GWLBSVDGFFIGAX-GHMZBOCLSA-N 314.305 -0.376 30 20 DBED CC#CCN1CC[C@H]2CCN(C(=O)Cn3cnnc3O)C[C@H]21 1042020631 LAOZFCCXYXKFCP-QWHCGFSZSA-N 303.366 -0.070 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)c2nccnc2N)C1 1042179040 VSRDZEJASLJTDJ-UHFFFAOYSA-N 319.365 -0.426 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)[C@H]2C[C@@H]2C(=O)OC)C1 1042803038 QYTUCQDPZTZJQF-RYUDHWBXSA-N 322.361 -0.712 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(O)CN(C(=O)C2(CF)CC2)C1 1042811519 JTKJQQHHKDMVHM-ZDUSSCGKSA-N 314.357 -0.247 30 20 DBED C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)C[C@H]1Nc1cncc(C#N)n1 1043265074 NMQBEXPBMLRZSZ-ADEWGFFLSA-N 314.349 -0.114 30 20 DBED C=CCCOCC(=O)NCC1(O)CN(C(=O)[C@@H](CC)OC)C1 1043563569 BAWBKILEYYRFKA-GFCCVEGCSA-N 314.382 -0.306 30 20 DBED C=CCCOCC(=O)NCC1(O)CN(C(=O)c2ccccn2)C1 1043565238 LQZQGWXGLORGMA-UHFFFAOYSA-N 319.361 -0.023 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)c2ccc(=O)n(C)c2)C1 1043816202 LWTXDTBWCVDCCD-UHFFFAOYSA-N 319.361 -0.345 30 20 DBED CC#CCN1CC(N(C)C(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 1044062145 ZWADUFHRUALRBD-UHFFFAOYSA-N 314.349 -0.763 30 20 DBED CC#CCCCC(=O)NCC1(O)CN(C(=O)c2cnn[nH]2)C1 1045007406 WFMBMVSEARNTEU-UHFFFAOYSA-N 305.338 -0.699 30 20 DBED CC#CCN1CCC(C)(NC(=O)[C@@H]2CCS(=O)(=O)N2)CC1 1045642553 HWLOAIORCLAXRR-LBPRGKRZSA-N 313.423 -0.328 30 20 DBED C[C@@]1(NC(=O)c2ccc(-n3cnnn3)cn2)CCN(CC#N)C1 1046511019 DSGHTJFUZTUQOE-CQSZACIVSA-N 312.337 -0.225 30 20 DBED C=C(C)C[C@H](C)C(=O)N1CC(O)(CNC(=O)Cc2nc[nH]n2)C1 1046909362 KGSNCHMLZSOFEP-NSHDSACASA-N 321.381 -0.361 30 20 DBED Cc1nn(CC(=O)N[C@@H]2C[C@H]3C[C@@H](C2)N(CC#N)C3)c(=O)n1C 1047190737 XWUOFEBUCZBNBZ-XQQFMLRXSA-N 318.381 -0.617 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)Cc2cc(C)nn2C)C1 1047457922 UTAUNXGDBLQUIK-GJZGRUSLSA-N 304.394 -0.202 30 20 DBED C=CCCC(=O)N(C)[C@H]1CN(C(=O)Cc2ccn(C)n2)C[C@@H]1O 1048523043 HZYYLZFYOCVOCQ-KBPBESRZSA-N 320.393 -0.041 30 20 DBED C#CCCN1C[C@H]2CN(C(=O)[C@@H]3CN(C(C)=O)CCO3)C[C@H]2C1 1049197777 RERJDJHJHLUSTO-XHSDSOJGSA-N 319.405 -0.353 30 20 DBED C=CCN1CC[C@H](N2CC[C@@H]3[C@H]2CCCN3C(=O)C(N)=O)C1=O 1049683041 LAPROVYLINKMCK-UPJWGTAASA-N 320.393 -0.676 30 20 DBED C#CCN1C[C@@H]2CCCN(C(=O)c3cn(C)c(=O)n3C)[C@@H]2C1 1050210079 NAXVBHXXLKPATB-QWHCGFSZSA-N 302.378 -0.107 30 20 DBED C=CCN1CC[C@H](NCC[C@H]2CCN(C(=O)C(N)=O)C2)C1=O 1050230726 ORIMZUNNMXDEAP-RYUDHWBXSA-N 308.382 -0.913 30 20 DBED C#CCOCCC(=O)N1CC[C@@H]([C@@H](C)NC(=O)CC(=O)NC)C1 1050728677 MQTCTCRGJMNOPY-CHWSQXEVSA-N 323.393 -0.484 30 20 DBED C#CCCN1CCOC[C@@H]1CNC(=O)[C@H]1CN(CC)CCO1 1051252630 YIXMMGOEQZYXSX-LSDHHAIUSA-N 309.410 -0.453 30 20 DBED N#Cc1nccnc1NC1CC(CNC(=O)[C@H]2COC(=O)N2)C1 1051925981 FRQJRZVESSFZFJ-NWGYLPEXSA-N 316.321 -0.237 30 20 DBED C#CCN1CCN([C@@H]2CCN(C(=O)c3cncn3C)C2)CC1 1052047739 XZAWPAHGGFUGNA-CQSZACIVSA-N 301.394 -0.115 30 20 DBED N#CCN1CCC[C@@H](NC(=O)CN2CCCS2(=O)=O)CC1 1052428596 JTXJIKIUCXHKLP-GFCCVEGCSA-N 314.411 -0.484 30 20 DBED CNC(=O)CC(=O)NC[C@H]1CN(C(=O)C#CC(C)C)C[C@@H]1C 1052530770 UNPFTFRKIUTLCR-STQMWFEESA-N 307.394 -0.007 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)[C@H](OC)[C@@H]1CCOC1)CCO2 1053355330 BMSLCLBDEAPPJV-HUUCEWRRSA-N 322.405 -0.026 30 20 DBED CC[C@H]1C[C@@H](C(=O)N2CCOC3(CN(CC#N)C3)C2)CC(=O)N1 1053355871 HAQJFXVJENJUSU-OLZOCXBDSA-N 320.393 -0.272 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)CN3CCCCC3=O)CO2)C1 1053857129 WTXOFPYRQGYVQD-LBPRGKRZSA-N 306.366 -0.518 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)C[C@H]3CCCC(=O)N3)CO2)C1 1053865818 KAXAJBBFKVZHRU-CHWSQXEVSA-N 305.378 -0.362 30 20 DBED C=CCOCC(=O)N1C[C@@H]2CN(C(=O)c3cnn(C)n3)C[C@@H]2C1 1055248638 VZGOGNXPFUQZPW-TXEJJXNPSA-N 319.365 -0.452 30 20 DBED Cc1c(C(=O)NC2[C@@H]3CN(c4ccc(C#N)nn4)C[C@@H]23)nnn1C 1056176236 LADOYQPEWOXMFS-GHMZBOCLSA-N 324.348 -0.350 30 20 DBED CN1C[C@H](C(=O)N2CC[C@@H](Nc3nccnc3C#N)C2)CC1=O 1056805267 OMVBYYUBOPSDML-GHMZBOCLSA-N 314.349 -0.161 30 20 DBED C=C(C)C[C@H](C)C(=O)NCCN(CCO)C(=O)CNC(N)=O 1056919200 KFYGIWHUUJWLGF-NSHDSACASA-N 314.386 -0.806 30 20 DBED C#CCOCCC(=O)NCCN(CCO)C(=O)c1cn[nH]c1 1057075368 OSMSPRBEGPRZCH-UHFFFAOYSA-N 308.338 -1.000 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)CCc1ncc[nH]1 1057458172 OCOGLKSMSZKTEG-UHFFFAOYSA-N 324.381 -0.518 30 20 DBED N#Cc1cnc(N[C@H]2CCCN(C(=O)[C@@H]3CCNC3=O)C2)cn1 1057724985 PZGHEKFUAJTUEB-CMPLNLGQSA-N 314.349 -0.113 30 20 DBED C=C(C)CCC(=O)N(CCO)CCNC(=O)[C@H]1CCNC1=O 1057807934 WPNJPPOKKSQNAC-LBPRGKRZSA-N 311.382 -0.584 30 20 DBED CC(C)N(C)CC(=O)N(CCO)CCNC(=O)C#CC1CC1 1057863147 HNCTWMMOTFRYQT-UHFFFAOYSA-N 309.410 -0.323 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)C1(N(C)C)CCC1 1057873699 JEMDXDQKJPKMIB-LBPRGKRZSA-N 310.398 -0.433 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)COc1cccnc1 1058097796 SWIPGMBMDMFCNM-LBPRGKRZSA-N 320.349 -0.443 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)CCc1ncccn1 1058655097 QGPRVXUOWBLVAX-GFCCVEGCSA-N 319.365 -0.494 30 20 DBED C=CCOCC(=O)NC[C@@H]1COCCN1C(=O)[C@H](C)COC 1061422000 ZDOVSRQJHNSCTQ-CHWSQXEVSA-N 314.382 -0.185 30 20 DBED N#Cc1cncc(N2CCC[C@@H]2CNC(=O)[C@H]2CNC(=O)N2)n1 1061441305 UXBLJRDIZRVNKH-GHMZBOCLSA-N 315.337 -0.885 30 20 DBED C#CCCCC(=O)NC[C@@H]1COCCN1C(=O)[C@H](C)NC(C)=O 1061537057 XSOCDUWDPAWGNM-GXTWGEPZSA-N 323.393 -0.342 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CCCCN1C(=O)[C@@H]1CNC(=O)N1 1062329308 PSJJPMXKSKMOHH-OLZOCXBDSA-N 320.393 -0.176 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(NC(=O)c2nc[nH]n2)CCC1 1063044072 ZJJDNIYRLUETQM-JTQLQIEISA-N 305.338 -0.388 30 20 DBED N#Cc1cncc(NC[C@H]2CCCN2C(=O)Cn2ncnn2)n1 1063519290 XFJFHNLMVOKDQW-LLVKDONJSA-N 313.325 -0.562 30 20 DBED COCC(=O)N[C@@H](C)C(=O)NC1(CNC(=O)[C@H](C)C#N)CCC1 1064311044 WFAKLUGKBPOQOV-MNOVXSKESA-N 324.381 -0.548 30 20 DBED C=CCCCC(=O)NC[C@H]1CN(C(=O)CNC(N)=O)CCO1 1064836518 SAWCARSKQKPDOJ-NSHDSACASA-N 312.370 -0.645 30 20 DBED C=CCCC(=O)N1CCO[C@@H](CNC(=O)[C@@H]2COC(=O)N2)C1 1064956411 XAOYFRYKURTHOA-QWRGUYRKSA-N 311.338 -0.595 30 20 DBED C=CCCC(=O)N1CCO[C@@H](CNC(=O)[C@]2(C)CNC(=O)C2)C1 1064961847 SLRDBWAPOGEINJ-LRDDRELGSA-N 323.393 -0.178 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)Cc2ncc[nH]2)CCO1 1065520700 AVGDNYUWOKSOMN-GFCCVEGCSA-N 322.365 -0.502 30 20 DBED C[C@H]1CN(C(=O)CC(N)=O)C[C@H]1CNc1ccc(C#N)nn1 1065829909 RRWATTOQDQAZRM-VHSXEESVSA-N 302.338 -0.270 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCCN(C(=O)[C@@H](C)OC)CC1 1066069682 UKRNASIEJHVLEX-CHWSQXEVSA-N 323.393 -0.342 30 20 DBED Cn1cnc(C(=O)N[C@H]2C[C@H](CN=c3cc[nH]c(C#N)n3)C2)n1 1068481215 GOWOBRFDLQKSEG-MGCOHNPYSA-N 312.337 -0.481 30 20 DBED C=CCCOCC(=O)N1CC[C@]2(CCCN(C(=O)C(N)=O)C2)C1 1069775731 DUVHZGHXPPAJGP-MRXNPFEDSA-N 323.393 -0.095 30 20 DBED CC#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)Cn2cccn2)C1 1069897095 YTAWPFLNWRVJIQ-KGLIPLIRSA-N 313.365 -0.460 30 20 DBED CN1CCOC[C@@H]1C(=O)N1CCC[C@@H](NC(=O)C#CC2CC2)C1 1070631461 XSFBTYWFRMPCJT-HUUCEWRRSA-N 319.405 -0.162 30 20 DBED CNC(=O)NCCC(=O)N1CCC[C@@H](NC(=O)C#CC2CC2)C1 1070690553 YHPNIDMNCCCHPY-CYBMUJFWSA-N 320.393 -0.174 30 20 DBED C=CCN[C@@H]1CN(C(=O)Cc2nc[nH]n2)C[C@H]1c1cncn1C 1070709331 BEEKJTCABKBQTJ-VXGBXAGGSA-N 315.381 -0.149 30 20 DBED C=CCCN1CCNC(=O)CCN(C(=O)c2cnnn2C)CC1 1070959760 GXFZAMWZWLIGRU-UHFFFAOYSA-N 320.397 -0.345 30 20 DBED CC#CCN1CCNC(=O)CCN(C(=O)c2cnon2)CC1 1071010477 MUIOCACOQSIXFE-UHFFFAOYSA-N 305.338 -0.643 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)CC(N)=O)C1 1071365179 JPENCFGSZXHBHH-UTUOFQBUSA-N 309.366 -0.440 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H](C)[C@H](NC(=O)c2ncc[nH]2)C1 1071935590 DOIPMBCYYPPCHZ-WDEREUQCSA-N 317.349 -0.874 30 20 DBED CC#CCN1C[C@@H](NC(=O)c2cn(CC(N)=O)nn2)CC[C@@H]1C 1072099409 QJCCIQUSABGOSQ-RYUDHWBXSA-N 318.381 -0.631 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1C 1072389976 KEYPDGFSZRYFCA-ZYHUDNBSSA-N 307.354 -0.406 30 20 DBED C[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@@H]1NC(=O)C#CC(C)(C)C 1072543110 HMHHELHRNGGCHV-MNOVXSKESA-N 318.381 -0.164 30 20 DBED C#CCN1CCC2(C1)CN(C(=O)c1ccc(S(N)(=O)=O)o1)C2 1072894889 NNABBRUBRNFJJU-UHFFFAOYSA-N 323.374 -0.292 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H](C)CCNC(=O)CNC(N)=O 1075548169 QAPUEEHJKGEHAF-VHSXEESVSA-N 300.359 -0.743 30 20 DBED C#CCN1C[C@@H]2CCN(C(=O)CCc3nnc(O)nc3O)[C@@H]2C1 1075983610 PRGMRXKYQHHIPQ-CMPLNLGQSA-N 317.349 -0.619 30 20 DBED N#CCN1C[C@@H]2CCN(C(=O)[C@@H]3Cc4cncn4C(=O)N3)[C@@H]2C1 1076079032 AZTXMZALRHXHGV-WCFLWFBJSA-N 314.349 -0.578 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)[C@@H](CC)N(C)C 1076219104 UJKUPYZZDJVBQP-QWHCGFSZSA-N 324.425 -0.523 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)[C@H](O)C(C)C 1076219228 ZAKOGDDBAQBWFD-SMDDNHRTSA-N 311.382 -0.846 30 20 DBED C#CCO[C@@H](C)C(=O)NCC[C@H](C)NC(=O)CS(C)(=O)=O 1076510312 IQZRLVDHANKNPY-QWRGUYRKSA-N 318.395 -0.920 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H](C)CCNC(=O)Cn1nccn1 1076697622 ZINHLGAQKNRCIX-NWDGAFQWSA-N 309.370 -0.120 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCc3nn[nH]c32)C1 1077584977 MABXXMXFRLVJCJ-RAIGVLPGSA-N 305.382 -0.038 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1nnn(C)n1 1077878663 UFCPGINASGWBRQ-AXFHLTTASA-N 322.369 -0.574 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(N(CC)C(=O)c2ncn(C)n2)C1 1079712221 NBFUJUUSZLJUOY-LLVKDONJSA-N 319.365 -0.474 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)Cc2nc[nH]n2)C1 1080593768 NLBZKBCOCSSGCS-NSHDSACASA-N 319.365 -0.555 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2cc(C)on2)C[C@H]1O 1081345065 YCXLMXAERGSDQD-DGCLKSJQSA-N 323.349 -0.265 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)COCC=C)C[C@H]1O 1081347318 UYXNRNQCINAPEH-CHWSQXEVSA-N 312.366 -0.673 30 20 DBED CNC(=O)CC(=O)NC[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@@H]1O 1081434099 QRODPLAQNHHQIX-NEPJUHHUSA-N 323.393 -0.893 30 20 DBED C=CCCOCC(=O)N1C[C@H](O)[C@H](CNC(=O)C#CC2CC2)C1 1081474130 NTSQSBAWUIEIKZ-CABCVRRESA-N 320.389 -0.072 30 20 DBED C#CCOCCC(=O)NC[C@H]1CN(C(=O)C2CCC2)C[C@H]1O 1081488174 FARDRFLLKAOIRO-UONOGXRCSA-N 308.378 -0.238 30 20 DBED C=C(C)CCC(=O)NC[C@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1O 1081530814 KOYANMHQMDNSGL-WDEREUQCSA-N 307.354 -0.290 30 20 DBED C=CCN1C[C@@H](NC(=O)c2cn(CCOC)nn2)[C@H](OC)C1 1081649864 ZZBWFNVTRWXMFM-DGCLKSJQSA-N 309.370 -0.461 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN(Cc3nnn(C)n3)C[C@H]2OC)C1 1082110933 NJOPBAAKWAJNBH-VXGBXAGGSA-N 320.397 -0.118 30 20 DBED C[C@@H]1CN(C(=O)[C@@H]2CCc3nnn(C)c3C2)C[C@H]1NCC#N 1082707733 AKFPRKHFDOHQFI-NQBHXWOUSA-N 302.382 -0.120 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CCC(=O)NC1 1083127409 NVDBLKGNLRXIRG-HZSPNIEDSA-N 305.378 -0.553 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)c2cnn(CCOC)c2C)C1 1083458433 NPBYGYGJKIMOBT-CABCVRRESA-N 320.393 -0.364 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2coc(S(C)(=O)=O)c2)C1 1083474228 VGBLNYUSBMFOCP-MNOVXSKESA-N 312.347 -0.909 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)C[C@H]2COc3ccccc3O2)C1 1083494173 NEWNVAIAYWRNIU-XQQFMLRXSA-N 317.345 -0.099 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)[C@H]2CCS(=O)(=O)C2)C1 1083615400 RJRNEDDCQPRXSD-AXFHLTTASA-N 322.814 -0.665 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)[C@@H]2C1 1084529716 YOZRIODFVVQQRK-TUVASFSCSA-N 319.405 -0.035 30 20 DBED C#CCN1CC[C@@H]1CN(C)C(=O)c1cn(CC(=O)N(C)C)nn1 1085986357 BHYCJZJPIJPNCO-GFCCVEGCSA-N 318.381 -0.854 30 20 DBED CN(C)c1cnc(C(=O)N[C@H]2CCN(CC#N)C[C@@H]2O)cn1 1090265098 JTWDZMIVQHRONG-JQWIXIFHSA-N 304.354 -0.769 30 20 DBED C=CCCN1CC[C@H](NC(=O)CC2CS(=O)(=O)C2)[C@H](O)C1 1090372062 PJDMZMQYNLBIPK-QWHCGFSZSA-N 316.423 -0.451 30 20 DBED C[C@@H]1CN(c2ncc(C#N)cc2F)C[C@H]1NC(=O)CC(N)=O 1090669315 PPFWSXODTMZPQW-LDYMZIIASA-N 305.313 -0.091 30 20 DBED C=CCN1CC[C@@H](NC(=O)c2ccc(N(C)C)nn2)[C@@H](O)C1 1090735134 UXUAPUJVLDNFJG-YPMHNXCESA-N 305.382 -0.106 30 20 DBED C=CCN1CC[C@@H](NC(=O)c2cccnc2C(N)=O)[C@H](O)C1 1090823654 HTEMLHUFCIGJTA-VXGBXAGGSA-N 304.350 -0.469 30 20 DBED COCCC(=O)N[C@@H]1CN(c2nc(C)cc(C#N)n2)C[C@@H]1O 1091062354 MECLIEDPGSXSFZ-NEPJUHHUSA-N 305.338 -0.641 30 20 DBED CCOCCCC(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1091081861 ONQDZFHGNDQAFB-OLZOCXBDSA-N 319.365 -0.169 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(c2cc(F)ncn2)C[C@@H]1O 1091093622 ZUNWBHJXZDXYSU-ISTVAULSSA-N 310.329 -0.392 30 20 DBED CC(C)N(C)CC(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@@H]1O 1091117772 SKURBHWDRGFOTD-HIFRSBDPSA-N 317.393 -0.041 30 20 DBED COC[C@@H](OC)C(=O)NC[C@H]1C[C@H](N=c2cc[nH]c(C#N)n2)C1 1091508457 AKIMGDPJYLNSEE-IJLUTSLNSA-N 319.365 -0.262 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CN(CCS(C)(=O)=O)C[C@@]2(C)C1 1091546909 BAESJXCVHVCHTC-BZPMIXESSA-N 313.423 -0.029 30 20 DBED CN(CCOCCN(C)c1ccncc1C#N)C(=O)C(N)=O 1091901358 SEALMXUWUIAZLM-UHFFFAOYSA-N 305.338 -0.650 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1[C@@H]2CN(c3cc(F)ncn3)C[C@@H]21 1093265652 JSJKNLAUMLNVSQ-RTUWITSCSA-N 317.324 -0.694 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(OC2CN([C@@H](C)C(N)=O)C2)CC1 1093515628 YUGSOMNFJPUELN-QWRGUYRKSA-N 308.382 -0.288 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)c3c[nH]nc3C)CC2=O)C1 1094768134 PPCIXVOLXOYONH-NSHDSACASA-N 303.366 -0.081 30 20 DBED Cc1cc(C#N)nc(N(C)CCCNC(=O)Cn2nccn2)n1 1095654020 WDDOJKMWHBAVFD-UHFFFAOYSA-N 314.353 -0.109 30 20 DBED N#Cc1ccc(N2CC[C@H](NC(=O)CCc3nc[nH]n3)C2)nn1 1096366480 GYMBVEAZPVEBPM-NSHDSACASA-N 312.337 -0.206 30 20 DBED N#Cc1nccc(N2CC[C@@H](NC(=O)CO[C@@H]3CCOC3)C2)n1 1096439032 BMIMCHQPPHCCNW-VXGBXAGGSA-N 317.349 -0.151 30 20 DBED C[C@@H](CC(N)=O)C(=O)N[C@H]1CCN(c2ccnc(C#N)n2)C1 1096457524 KGTHLEMUOTYSKO-UWVGGRQHSA-N 302.338 -0.445 30 20 DBED N#Cc1cncc(N[C@H](CNC(=O)CNC(N)=O)C2CC2)n1 1096565975 QOKOOWGWTAAAPY-SNVBAGLBSA-N 303.326 -0.677 30 20 DBED CC(=O)N1CCOC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC#N 1096575696 VTDFZSCLBQPLNJ-ZOBORPQBSA-N 306.366 -0.521 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H]1COCCN1C(C)=O 1096575762 XFQWFUCTFCZUJI-CBBWQLFWSA-N 305.378 -0.412 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](Nc1nccn2nnnc12)C1CC1 1096597568 DDXNSBANRRHDMC-WPRPVWTQSA-N 300.326 -0.014 30 20 DBED C[C@H](CNC(=O)[C@@H]1CCCC(=O)N1C)N=c1cc[nH]c(C#N)n1 1097985350 MXMXOVGSLFSMNK-MNOVXSKESA-N 316.365 -0.302 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCCC(=O)N1)Nc1nccnc1C#N 1098116975 ADLWZBALMMJDMT-VHSXEESVSA-N 302.338 -0.066 30 20 DBED C[C@H](CNC(=O)[C@@H]1CCNC(=O)CC1)N=c1cc[nH]c(C#N)n1 1098170545 AJNXSKZPHAHESS-MNOVXSKESA-N 316.365 -0.397 30 20 DBED CN1CC[C@H](C(=O)N2CCC(N(CC#N)CCO)CC2)C1=O 1098457110 UVKSZGDQONBVSJ-ZDUSSCGKSA-N 308.382 -0.726 30 20 DBED N#CCN(CCO)C1CCN(C(=O)C[C@@H]2CCC(=O)N2)CC1 1098498459 QRABCUHIGIUGMC-LBPRGKRZSA-N 308.382 -0.536 30 20 DBED C#CCCN(CCO)C1CCN(C(=O)[C@@H]2CCC(=O)N2)CC1 1098538143 HUTFNZLWKIDQHR-AWEZNQCLSA-N 307.394 -0.426 30 20 DBED C#CCN1C[C@@H](NC(=O)CNC(N)=O)CC2(CCOCC2)C1 1099563614 HMPIISHUYSFZJS-LBPRGKRZSA-N 308.382 -0.725 30 20 DBED N#CCSCC(=O)N[C@H]1CCN(Cc2ccon2)C[C@H]1O 1099686482 GLEDUEIKTHNVBT-NWDGAFQWSA-N 310.379 -0.017 30 20 DBED C=C(Cl)CN1CC[C@@H](NC(=O)CS(C)(=O)=O)[C@@H](O)C1 1099718378 LTHPMTUGUBGUQH-ZJUUUORDSA-N 310.803 -0.665 30 20 DBED C#CCCN1CC[C@H](NC(=O)COCc2nccn2C)[C@H](O)C1 1099887696 JBNOPBXNVAURLD-UONOGXRCSA-N 320.393 -0.489 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)Cn2nccc2C)[C@@H](O)C1 1100022077 GWVAHLMBJDHUOK-CABCVRRESA-N 322.409 -0.054 30 20 DBED CCn1ccc(C(=O)N[C@@H]2CCN(CC#CCOC)C[C@H]2O)n1 1100022855 SAFWCGKRKRSCNN-UKRRQHHQSA-N 320.393 -0.282 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CCCN(C)C(C)=O)[C@H](O)C1 1100092414 NEFPCMDXOFEMCH-HUUCEWRRSA-N 309.410 -0.180 30 20 DBED C=CCCCN1CC[C@@H](NC(=O)c2cn(C)c(=O)n2C)[C@@H](O)C1 1100129130 IIEQBMCCFYVNOU-OCCSQVGLSA-N 322.409 -0.145 30 20 DBED CN(CCNC(=O)COc1cnn(C)c1)c1ccnc(C#N)n1 1100300801 NZUGNEYEVPAYCO-UHFFFAOYSA-N 315.337 -0.287 30 20 DBED CN1C[C@H](C(=O)NCCN(C)c2ncccc2C#N)CC1=O 1100384134 ZYTQDYDYZFKEHA-GFCCVEGCSA-N 301.350 -0.016 30 20 DBED CN1CC[C@@H](C(=O)NCCN(C)c2cncc(C#N)n2)CC1=O 1100398586 NZFPOUSWPGAYGI-LLVKDONJSA-N 316.365 -0.231 30 20 DBED CCN(CCNC(=O)Cn1nccn1)c1ccnc(C#N)n1 1100626670 NOOMJZVWSKPZOA-UHFFFAOYSA-N 300.326 -0.418 30 20 DBED CC(=O)N[C@@H](C)C(=O)N(C)[C@H]1CCN(c2ccc(C#N)nn2)C1 1102668802 UIGWFPNBJNEIMW-GWCFXTLKSA-N 316.365 -0.090 30 20 DBED C[C@H](CNC(=O)C[C@@H](C)NC(N)=O)CNc1ccc(C#N)nn1 1104098891 GGINYCOSYRFBID-VHSXEESVSA-N 319.369 -0.041 30 20 DBED C[C@H](CNc1ccc(C#N)nc1)N(C)C(=O)[C@@H]1CNC(=O)N1 1104784989 KUHHOZXZILYXSO-SKDRFNHKSA-N 302.338 -0.107 30 20 DBED CCn1ccnc1C(=O)N1CC(n2cc(CNCC#N)nn2)C1 1105221612 RCYZOZFRUWAYLE-UHFFFAOYSA-N 314.353 -0.195 30 20 DBED C=CCNCc1cn(C2CN(C(=O)[C@H]3CCCNC3=O)C2)nn1 1105264358 GAPHPNMAADTWHL-ZDUSSCGKSA-N 318.381 -0.537 30 20 DBED CN1CCO[C@@H](C(=O)N(C)CCN(C)c2nccnc2C#N)C1 1105355564 RCHBKNYFBFLGKZ-CYBMUJFWSA-N 318.381 -0.427 30 20 DBED Cc1cc(=NC[C@H](O)CNC(=O)c2cnccn2)c(C#N)c[nH]1 1105705669 LQEXVUDQWKDHMZ-LBPRGKRZSA-N 312.333 -0.324 30 20 DBED CC(=O)N[C@@H](C)C(=O)NC[C@@H](O)CNc1nc(C)ccc1C#N 1105734800 DXYULLJGEXLFQR-GWCFXTLKSA-N 319.365 -0.325 30 20 DBED CC(=O)N(C)CC(=O)NC[C@@H](O)CNc1nc(C)ccc1C#N 1105753558 AILSPNZYNDOPCX-CYBMUJFWSA-N 319.365 -0.371 30 20 DBED CO[C@@H](C)CC(=O)NC[C@@H](O)CN=c1cc(C)[nH]cc1C#N 1105783165 WDAQLTFDODYVES-AAEUAGOBSA-N 306.366 -0.002 30 20 DBED CCn1ccc(C(=O)NC[C@H](O)CNc2nccnc2C#N)n1 1105983239 ZOMRPUYUUBMBKM-SNVBAGLBSA-N 315.337 -0.233 30 20 DBED N#Cc1cncc(NC/C=C\CNC(=O)[C@H]2CCNC2=O)n1 1107453434 YLPBWVOVZUTTSA-RFMOXSJOSA-N 300.322 -0.431 30 20 DBED C[C@@H]1OCCO[C@@H]1C(=O)NC/C=C\CN=c1cc[nH]c(C#N)n1 1107573552 QNDUCSHPNDUGAC-GDZOZFIRSA-N 317.349 -0.342 30 20 DBED Cc1cc(C#N)nc(NC[C@@H](C)NC(=O)[C@H]2COC(=O)N2)n1 1107704041 KXGINICKCSTJFJ-PSASIEDQSA-N 304.310 -0.318 30 20 DBED COCC#CCN1CCO[C@@](C)(CNC(=O)Cn2nccn2)C1 1107973661 XIHLSOVTAPGAGR-HNNXBMFYSA-N 321.381 -0.865 30 20 DBED COc1cnc(C(=O)NC[C@]2(C)CN(CC#N)CCO2)nc1 1108063288 QIFIHOPPGXLOPD-CQSZACIVSA-N 305.338 -0.171 30 20 DBED CC#CCN1CCO[C@@](C)(CNC(=O)[C@@H]2CN(C)C(=O)N2)C1 1108119471 NVORIWFKNXICJD-WFASDCNBSA-N 308.382 -0.760 30 20 DBED C#CCCN1CCO[C@](C)(CNC(=O)c2cn(C)c(O)n2)C1 1108184425 PVXFUENIFHJGMV-OAHLLOKOSA-N 306.366 -0.030 30 20 DBED C[C@H](CN=c1cc[nH]cc1C#N)NC(=O)c1nnc(O)nc1O 1108208671 NCHURTWQOGASBC-SSDOTTSWSA-N 315.293 -0.798 30 20 DBED C[C@@H](CNc1ccc(C#N)nn1)NC(=O)Cn1cnnc1O 1108316044 YOUKYHQCRAGXGW-QMMMGPOBSA-N 302.298 -0.738 30 20 DBED CC#CCN1CCO[C@@](C)(CNC(=O)[C@H](C)N2CCOCC2)C1 1108446697 GZAHCIWQAIALPK-RDJZCZTQSA-N 323.437 -0.063 30 20 DBED COC[C@@H](C)CC(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1 1108583765 RTXFYEIFVBEFNA-RYUDHWBXSA-N 308.382 -0.416 30 20 DBED C[C@@H](CN(C)c1cnc(C#N)cn1)NC(=O)C[C@H]1CCNC1=O 1109114591 MHPJWONWMYFGSX-WDEREUQCSA-N 316.365 -0.185 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2[C@@H](CC)C(N)=O 1109175320 GBLABGXIMMZKMT-VOAKCMCISA-N 320.393 -0.889 30 20 DBED C[C@@H](CN(C)c1ccnc(C#N)n1)NC(=O)[C@@H]1CCN(C)C1=O 1109183960 QBQWNIVTLGLQGS-QWRGUYRKSA-N 316.365 -0.233 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](NCCO)[C@H](C(F)(F)F)C1 1112088525 KWKPWSBWYWHELX-NXEZZACHSA-N 321.299 -0.903 30 20 DBED CSCC(=O)NC[C@@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1112696632 CSRIWQSYVACEIY-KOLCDFICSA-N 307.379 -0.375 30 20 DBED C[C@@H](CN1CCN(C(=O)[C@@H](C)C#N)CC1)CS(C)(=O)=O 1112710972 MVZKBZYPCGYBMF-RYUDHWBXSA-N 301.412 -0.029 30 20 DBED C=CCCCN1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)CC1 1112920987 NXYSNVBEDILJSP-UHFFFAOYSA-N 320.393 -0.343 30 20 DBED COCC#CCN1CCN(C(=O)C[C@H]2CCCC(=O)N2)CC1 1113083808 SJAACXRSKUMMNS-CQSZACIVSA-N 307.394 -0.161 30 20 DBED CC1CCN(CC(=O)N2CCN(CC(=O)NCC#N)CC2)CC1 1113453515 ZNEFBEZDBYQUDK-UHFFFAOYSA-N 321.425 -0.498 30 20 DBED C[C@@H](CNC(=O)c1cn(C)nn1)N(C)c1cnc(C#N)cn1 1113581656 ZBICRXZVPHHNEV-VIFPVBQESA-N 300.326 -0.269 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)COCCC=C)CC1 1113710288 JQSUPAIWHJNPBL-CQSZACIVSA-N 307.394 -0.139 30 20 DBED CCOCCCC(=O)NC1[C@H]2CN(CC(=O)NCC#N)C[C@H]12 1113924971 LDSPBCXMPAGQOH-RYUDHWBXSA-N 308.382 -0.511 30 20 DBED CNC(=O)NCC(=O)NC[C@H](C)N(C)c1ccc(C#N)nn1 1113937989 AYRFSRFOXKFZHH-VIFPVBQESA-N 305.342 -0.782 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1[C@@H]2CN(CCCCOC)C[C@@H]21 1114169074 AINRCUIQWSPTLZ-VIKVFOODSA-N 307.394 -0.401 30 20 DBED C#CCOCCC(=O)N[C@H]1[C@@H]2CN(Cc3ncnn3CC)C[C@@H]21 1114265649 GMJPJNSLRFIENC-VIKVFOODSA-N 317.393 -0.116 30 20 DBED C=CCN1C[C@H]2C(NC(=O)[C@H](C)NS(=O)(=O)CC)[C@@H]2C1 1114311576 PUQWUOGKVUQPHR-HBNTYKKESA-N 301.412 -0.453 30 20 DBED C#CCCN1C[C@@H]2C(NC(=O)CCCN3C(=O)CCC3=O)[C@H]2C1 1114370971 BPIFOUDGGCFMJI-STQMWFEESA-N 317.389 -0.015 30 20 DBED N#Cc1nc(=NCCCOCCNC(=O)c2nc[nH]n2)cc[nH]1 1115417382 FNNJOPAOSZLNAX-UHFFFAOYSA-N 316.325 -0.863 30 20 DBED C[C@@H](CN(C)C(=O)[C@@H]1COC(=O)N1)Nc1cnc(C#N)cn1 1115702255 DMJOQDCTSVDXRO-WPRPVWTQSA-N 304.310 -0.285 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)nn1 1118116248 QWODMSPTLZDCHB-WDEREUQCSA-N 302.338 -0.111 30 20 DBED N#CCCN1CCN(C(=O)C(=O)N2CCC(C#N)CC2)CC1 1119004106 PJHCBVIGDQURPF-UHFFFAOYSA-N 303.366 -0.194 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)NCCC(=O)NC(C)C 1119097869 ODQVRZTTYYHYJB-LBPRGKRZSA-N 311.382 -0.438 30 20 DBED C=CCN(C(=O)C(=O)NCCCn1cncn1)[C@H](C)COC 1119141580 IFVDYFWVKHYAAH-GFCCVEGCSA-N 309.370 -0.166 30 20 DBED N#C[C@H]1CCCN(C(=O)C(=O)N2CCN([C@@H]3CCNC3)CC2)C1 1119610778 GNSGJDUTHYMTPD-ZIAGYGMSSA-N 319.409 -0.745 30 20 DBED Cc1cc(C(=O)NC[C@@H](CO)Nc2nccnc2C#N)no1 1121010118 LCEXKWNGJONBEA-VIFPVBQESA-N 302.294 -0.153 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)COCCC 1124444571 TZWBRIPVLPTNMK-UHFFFAOYSA-N 300.359 -0.869 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C[C@@H](O)CN(C)c1ncccn1 1125162762 UBRHQLCNXVEYNQ-CHWSQXEVSA-N 306.366 -0.230 30 20 DBED N#Cc1ccc(C(=O)NCCNCC(=O)NC[C@H]2CCCO2)[nH]1 1125776714 WCAFHFFXPIWCCE-GFCCVEGCSA-N 319.365 -0.499 30 20 DBED C[C@H](NC(N)=O)C(=O)NCCNCc1ccc(OCC#N)cc1 1126199197 PHKZUGHOQVSIRX-NSHDSACASA-N 319.365 -0.148 30 20 DBED C#CCOCCC(=O)NCCNCCCNS(=O)(=O)CC 1127032532 ZIYFTDOMZQUUCU-UHFFFAOYSA-N 319.427 -0.939 30 20 DBED C#CCO[C@H](C)C(=O)NCCNCC(=O)N(C)CC(F)(F)F 1127051700 LKSWMLCJLQRDHS-SNVBAGLBSA-N 323.315 -0.249 30 20 DBED C#CCN1CCn2ncc(CNC(=O)CNC(=O)CCC)c2C1 1128245274 KDPWYOJQGWJLNG-UHFFFAOYSA-N 317.393 -0.136 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCNCc1ncnn1CC 1129762551 OEPWPTYAVPMUTH-ZDUSSCGKSA-N 304.398 -0.399 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCNCCNC(=O)NC(C)C 1129771473 YBHROBPKRHKLAP-AWEZNQCLSA-N 323.441 -0.503 30 20 DBED N#CCNC(=O)CNCCNC(=O)Cc1noc2ccccc12 1131002869 WBFJRNCQEUFESU-UHFFFAOYSA-N 315.333 -0.284 30 20 DBED COCC#CCNCCNC(=O)c1cnc2c(c1)nnn2C 1131459145 UDHAKPDDSKJYQJ-UHFFFAOYSA-N 302.338 -0.668 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)Cc2cc[nH]n2)CC[C@H]1C 1131917520 IBJWOYNHMDRDIJ-OCCSQVGLSA-N 317.393 -0.329 30 20 DBED Cc1c[nH]nc1C(=O)N[C@@H]1CC[C@H](C)N(CC(=O)NCC#N)C1 1132021938 SCKXLFHCIROLKF-NWDGAFQWSA-N 318.381 -0.059 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H](CC)N(CC)CC 1133690921 WZTDHOUVFACMRR-ZIAGYGMSSA-N 310.442 -0.050 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)CN1CC[C@@H](C)C1 1133853603 LUENQOVBRTVPFP-CQSZACIVSA-N 323.441 -0.204 30 20 DBED Cc1ccn(CC(=O)N[C@H](C)C[C@@H](C)NCC(=O)NCC#N)n1 1135507060 RNPQOFFLOLHKLA-CHWSQXEVSA-N 320.397 -0.296 30 20 DBED C=C(C)CN[C@H](C)C[C@H](C)NC(=O)c1cn(CC(N)=O)nn1 1146582395 HAYQQIGBNJXQJR-MNOVXSKESA-N 308.386 -0.174 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1cnn(CC2CC2)c1 1146933472 PTYBBQNHNCURIH-UHFFFAOYSA-N 305.382 -0.085 30 20 DBED CC(C)=CC(=O)NC[C@H]1CN(CC(=O)NCC#N)CCCO1 1149115684 AXAHTTJMBVCLKQ-ZDUSSCGKSA-N 308.382 -0.201 30 20 DBED CC(C)NC(=O)CN1CCCO[C@H](CNC(=O)[C@@H](C)C#N)C1 1149409163 UCGWRVCHALBDBV-QWHCGFSZSA-N 310.398 -0.122 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(CC(=O)NC2CC2)CCCO1 1149694746 TYNFPSREKTUABD-OAHLLOKOSA-N 319.405 -0.115 30 20 DBED C=CCNC(=O)CN(CC)[C@H](C)CNC(=O)C[C@H]1CCNC1=O 1153799695 WYGKQRJJTHJFJA-CHWSQXEVSA-N 324.425 -0.359 30 20 DBED CC#CCN(CC)[C@H](C)CNC(=O)c1cc(=O)n2[nH]cnc2n1 1156358882 AAHLZZBSFKTEAD-LLVKDONJSA-N 316.365 -0.119 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)Cc1ccnn1C 1157236514 FEKWJXSLZUQTPD-GFCCVEGCSA-N 307.398 -0.251 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCCCNCC(=O)NC(=O)NC 1166983359 YWNWHEGKDBNOMU-MNOVXSKESA-N 312.370 -0.871 30 20 DBED C#CCNCC1(CCNC(=O)[C@H](CCC(N)=O)NC(C)=O)CC1 1167466699 VZMHVTZPXLAGCT-ZDUSSCGKSA-N 322.409 -0.734 30 20 DBED C[C@@H](CCCCNCC(=O)NCC#N)NC(=O)[C@@H]1CCOC1 1169610638 WWNPEJMHTKFQHD-QWHCGFSZSA-N 310.398 -0.073 30 20 DBED COCC#CCN1CCO[C@H]2CCN(C(=O)c3cnn[nH]3)C[C@H]21 1177042678 QYKIHXHLALKOCK-KGLIPLIRSA-N 319.365 -0.630 30 20 DBED C#CCNC[C@@H]1C[C@H]2CC[C@H]1N(C(=O)CN(C)C(=O)COC)C2 1177783284 UVRYRZSFFSXJOE-QLFBSQMISA-N 321.421 -0.059 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)C[C@@H]2CCC(=O)N2)[C@H]1C 1179699274 PXWSVNXFQCVODD-AVGNSLFASA-N 322.409 -0.464 30 20 DBED C=CCN1CC[C@H](N[C@@H]2CCN(C(=O)CNC(=O)CC)C2)C1=O 1181690884 VKGUJBZJIFCCSC-OLZOCXBDSA-N 322.409 -0.510 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(CC)C2)C1 1182983209 WQXKZHSKGPEACR-QWHCGFSZSA-N 322.409 -0.653 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CCCC(=O)N2)C1 1183480776 BJBNFOXGJXYNPE-VXGBXAGGSA-N 308.382 -0.852 30 20 DBED C=CCN(CC=C)C(=O)CN[C@@H]1CCN(C(=O)c2cnn[nH]2)C1 1183903693 VRSQIMJDYRMQAK-GFCCVEGCSA-N 318.381 -0.191 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(Cc2csnn2)C[C@H]1O 1192530976 ROABWUOYFIPMCI-NQBHXWOUSA-N 312.395 -0.474 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)/C=C(/C)CC)C1 1192722486 OBYDPXIOEOVGCC-QSESBOCJSA-N 307.394 -0.358 30 20 DBED C#CCN(C)[C@@H]1CCN(C(=O)C(C)(C)NS(C)(=O)=O)C1 1192748714 DSQZGIVAWHEGMV-LLVKDONJSA-N 301.412 -0.520 30 20 DBED COCc1noc(CN2C[C@@H](O)[C@H](NC(=O)C#CC(C)C)C2)n1 1192751737 IPKKDNAIKNTBBX-VXGBXAGGSA-N 322.365 -0.463 30 20 DBED N#Cc1ccc(C(=O)N2CCCN(CC(=O)NC(N)=O)CC2)[nH]1 1195496954 HQSYBSPIFRMVRM-UHFFFAOYSA-N 318.337 -0.771 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1CN(CCF)C[C@H]1O 1196691323 CPTQKGUABPZVKF-JHJVBQTASA-N 301.362 -0.412 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H](c2cccnc2)N(C)C)C1 1199128718 SPSTYVAZPITWIR-RBSFLKMASA-N 302.378 -0.521 30 20 DBED C[C@@H](CN1CCOCC1)C(=O)N1CCCO[C@H](CNCC#N)C1 1202068480 JYAOWFXAXLRHPM-LSDHHAIUSA-N 324.425 -0.315 30 20 DBED COCC#CCN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)Cn1nccn1)C2 1204374117 ZPOBNPWWQIIDST-RBSFLKMASA-N 317.393 -0.103 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)c2cnnn2C)CC1 1205145940 AOMBFZJJWXHMBN-UHFFFAOYSA-N 318.381 -0.994 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)c2cc(C)on2)C1 1207177632 LRLCYUDRKHFGDL-LBPRGKRZSA-N 304.350 -0.073 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)[C@H]2CC(=O)N(C)C2)[C@H](C)C1 1207273776 GZBGKIFZMWIALN-FRRDWIJNSA-N 322.409 -0.797 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)COCCC)[C@H](OC)C1 1211988955 NUJYSCWDVRUXPV-CHWSQXEVSA-N 313.398 -0.469 30 20 DBED C=CCOCC(=O)N1C[C@@H](NCC(=O)NC(=O)NC)[C@H](C)C1 1214331938 ZHAXCSVPUCUSCT-GHMZBOCLSA-N 312.370 -0.919 30 20 DBED C[C@@H]1CN(C(=O)c2ccnc(O)c2)C[C@H]1NCC(=O)NCC#N 1214433757 MXTKUQLNDGWTBP-ZYHUDNBSSA-N 317.349 -0.523 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@@H](NCC(=O)NC(C)C)[C@H](C)C1 1214602237 MVNQDKQDDWFWKY-HZSPNIEDSA-N 309.410 -0.014 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)Cc2nonc2C)C[C@H]1C 1216140255 KMUAIHIYFOZKIJ-ZWNOBZJWSA-N 321.381 -0.341 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)c2nonc2C)C[C@H]1C 1217031544 FPJWSNBJIUFLNI-MWLCHTKSSA-N 305.338 -0.822 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2ccccc2)C1 1219105181 SAJJALAEWLOCDV-KGLIPLIRSA-N 303.362 -0.236 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2cccn2C)C1 1219186323 YYGOIONKOBSWTR-YPMHNXCESA-N 306.366 -0.898 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)/C=C/C(C)(C)C)C1 1219371647 YGIYNHLTFTTWQM-UPPURNMVSA-N 321.421 -0.112 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN([C@@H](C)c2cnccn2)C[C@@H]1O 1219609210 HCADGSCYXSUESE-CFVMTHIKSA-N 318.377 -0.261 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)CCc2cn(C)nc2C)C1 1220476474 IYPHDZSQXCFGDE-CABCVRRESA-N 304.394 -0.154 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)C[C@@H]3CCOC3)[C@@H]2C1 1221458368 CZECXKMFAVJVLB-RRFJBIMHSA-N 319.405 -0.305 30 20 DBED C=CCNC(=O)CN1CCC(CNC(=O)CC(=O)NCC)CC1 1222921513 VHJBBZGRSLXCAP-UHFFFAOYSA-N 324.425 -0.357 30 20 DBED C=C[C@@](C)(O)CC(=O)NC1CCN(CCS(C)(=O)=O)CC1 1227124406 SLIPRIUXPJTEIP-CQSZACIVSA-N 318.439 -0.061 30 20 DBED C[C@@H]1[C@H](C(=O)NC2CCN(CC(=O)NCC#N)CC2)CCN1C 1227442706 BQDJTGQBJAIZON-TZMCWYRMSA-N 321.425 -0.453 30 20 DBED CCOC1CC(C(=O)N(C)C[C@H]2CCN2CC(=O)NCC#N)C1 1234078549 QQCNVQGHYJFEOI-ROKHWSDSSA-N 322.409 -0.026 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C[C@@H]1CCN1CCS(C)(=O)=O 1234225969 QADLHWJYZOTTGF-STQMWFEESA-N 316.423 -0.398 30 20 DBED C#CCNC(=O)[C@H](C)N(C)CCCNC(=O)CNC(=O)C1CC1 1234398839 ZXHMNYARJKENOJ-LBPRGKRZSA-N 322.409 -0.911 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)C(=O)N2CC(F)(F)C(F)(F)C2)C1 1261487624 YBWXIBJRYYLAFX-SNVBAGLBSA-N 323.246 -0.024 30 20 DBED C#CCN(C(=O)C[C@H]1CCOC1)C1CCN(CC(N)=O)CC1 1278184213 JJYNNCMARJGDDO-CYBMUJFWSA-N 307.394 -0.176 30 20 DBED CN1C[C@@H](NC(=O)CCN/C(O)=C2\N=CC=CC2=O)CC1=O 1318697386 RFWBRYMICHFLJO-IIAYEXGSSA-N 306.322 -0.750 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1CCC(OCC(N)=O)CC1 1318994617 XOFTUMFABHQDFG-JTQLQIEISA-N 312.370 -0.647 30 20 DBED C[C@@H](OC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)NC1(C#N)CCC1 1321741209 KGNHYAUXBBUSKN-ZJUUUORDSA-N 314.363 -0.085 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN3CCCC[C@@H]23)CCO1 1321886716 OVPHAUONVDYUKA-AGIUHOORSA-N 306.366 -0.520 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CC(c2nc(C)no2)C1)[C@H]1CCCO1 1323819228 HSKFEXSIXWDBGT-NWDGAFQWSA-N 318.333 -0.399 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N1CC[C@@H](COCCOC)C1 1323820036 PNEADPBKNSSCRW-OLZOCXBDSA-N 314.382 -0.185 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)N2CC[C@](F)(CO)C2)CCN1C1CC1 1329865056 KMSVZYNCBVAZJA-SWLSCSKDSA-N 324.356 -0.882 30 20 DBED C#CC[C@@H](CCOC)NC(=O)[C@]1(OC)CCS(=O)(=O)C1 1333661812 JPCWTNCIZDGFIL-AAEUAGOBSA-N 303.380 -0.265 30 20 DBED C#CCN(C(=O)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1)C(C)C 1334054970 CGKNLXDGVBEZHB-CYBMUJFWSA-N 317.393 -0.015 30 20 DBED Cc1cc(NC(=O)C(=O)N[C@H](C)c2nnnn2C)ncc1C#N 1336952524 KIHKKOGLKDMNKV-MRVPVSSYSA-N 314.309 -0.399 30 20 DBED C#CCSCCNC(=O)C(=O)N1CCN(CCOC)CC1 1342540803 OBGVVECAFIOWQD-UHFFFAOYSA-N 313.423 -0.740 30 20 DBED CC(C)(C)N1C[C@H](NC(=O)C(=O)N2CCO[C@H](C#N)C2)CC1=O 1346995981 KOUZICFAKMQFEE-GHMZBOCLSA-N 322.365 -0.747 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)NCCCc1nc(C)no1 1350727503 XWTGPUBSNNUTQK-UHFFFAOYSA-N 322.365 -0.075 30 20 DBED N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@H]2CCOC2=O)cc1 1362593214 DATLNFNNRTZAKV-NSHDSACASA-N 323.330 -0.732 30 20 DBED C[C@@H](O)[C@H]1CCCN(C(=O)Cn2cc(C#N)c(O)nc2=O)C1 1362644509 IOBPAENATQVYGR-ZJUUUORDSA-N 306.322 -0.560 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CN(C)C(=O)CCc1ccnn1C 1371010506 YNVVABXXRKIYQY-AAEUAGOBSA-N 321.381 -0.552 30 20 DBED N#Cc1cc(C(=O)N2CC(NC(=O)CO[C@H]3CCOC3)C2)c[nH]1 1374644163 MUQFAIPXRYMPRV-ZDUSSCGKSA-N 318.333 -0.368 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](C)CNC(=O)COCc1nncn1C 1375765084 VIAQFXXMMDFILX-QWRGUYRKSA-N 322.369 -0.640 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@@H]1CCCN(C(=O)Cn2cncn2)C1 1386625038 PSYUPYDXKJHPDX-VXGBXAGGSA-N 304.354 -0.113 30 20 DBED Cc1c[nH]c(CC(N)=O)c1C(=O)N(C)CCNC(=O)[C@H](C)C#N 1387084108 XQGJHNPPJVCWGC-SECBINFHSA-N 319.365 -0.301 30 20 DBED CO[C@@H](C)C(=O)N1CC[C@](O)(CNC(=O)c2cc(C#N)c[nH]2)C1 1390434293 VVPNFUAOOPWBTF-BONVTDFDSA-N 320.349 -0.386 30 20 DBED CN(Cc1nnc2n1CCNC2=O)C(=O)c1cccc(C#N)n1 1412606486 OVKRNCYESFFAJW-UHFFFAOYSA-N 311.305 -0.440 30 20 DBED COC(=O)[C@H]1CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)[C@@H]1C 1412843654 LGGSOULHIZTCNI-SCZZXKLOSA-N 320.305 -0.769 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@@H]1C[C@H](C)OC1=O 1413355746 NDBSQCWANYHQFW-VHSXEESVSA-N 305.356 -0.613 30 20 DBED CN(CCNC(=O)Cn1ncnn1)c1ncc(C#N)cc1F 1418030691 LEKYEHFOFRCXSP-UHFFFAOYSA-N 304.289 -0.669 30 20 DBED CSCC[C@H](O)C(=O)NCCn1cc(C#N)c(O)nc1=O 1418535835 CLUIVRZPRUSHLP-VIFPVBQESA-N 312.351 -0.949 30 20 DBED C=C(Cl)CN1CCO[C@H](CNC(=O)CCS(C)(=O)=O)C1 1421805944 XRZKSTMFLJUIHO-LLVKDONJSA-N 324.830 -0.009 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)[C@@H]2CCCN2C(N)=O)CC1 1433922609 SRLUDEDWZQQNKS-UWVGGRQHSA-N 307.354 -0.546 30 20 DBED CN(C)C[C@@H]1CCCCN1C(=O)Cn1cc(C#N)c(O)nc1=O 1443199823 GWBBZXHCXLSSKT-LBPRGKRZSA-N 319.365 -0.237 30 20 DBED CO[C@H]1C[C@@H](NC(=O)Cn2cc(C#N)c(O)nc2=O)C1(C)C 1445267186 YXGDHFYQGDKFLG-ZJUUUORDSA-N 306.322 -0.250 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CN(C)C(=O)c1ccc(=O)n(C)c1 1451892759 RSORSWKNSLGFQH-CMPLNLGQSA-N 320.349 -0.906 30 20 DBED N#CC[C@]1(O)CCN(C(=O)NCc2nc3ncccn3n2)C1 1470556331 RUTDTOWIFLAGRT-ZDUSSCGKSA-N 301.310 -0.316 30 20 DBED COCCN(CCNC(=O)[C@@H](C)C#N)C(=O)c1csnn1 1511867134 MBPJCWLGIMWRPL-VIFPVBQESA-N 311.367 -0.097 30 20 DBED C=CCOCC(=O)N[C@H]1[C@@H]2CN(c3ccnc(C(=O)O)n3)C[C@@H]21 1573368229 CCNSSSORNILETJ-IWIIMEHWSA-N 318.333 -0.072 30 20 DBED C=CCCC[C@H](NS(=O)(=O)N1CCNCC1)C(=O)OC 1574907526 PQEUMDLLLQRXQJ-NSHDSACASA-N 305.400 -0.376 30 20 DBED COC1(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[nH]2)CCOCC1 1579596186 ONEUVZQWIXBISJ-UHFFFAOYSA-N 318.297 -0.404 30 20 DBED N#Cc1nc(N2CCOC[C@@H]2CCO)cnc1-c1nn[nH]n1 1581879287 FHDRPFSVIJMVLH-QMMMGPOBSA-N 302.298 -0.884 30 20 DBED C[C@@H](C(=O)Nc1ccc(C#N)cn1)n1cnc(-c2nn[nH]n2)n1 1589015724 OWYGNDHEPSUYQW-ZETCQYMHSA-N 310.281 -0.075 30 20 DBED CC1=NNC(=O)[C@@H]1Sc1nc(N)c(C#N)cc1-c1nn[nH]n1 1590160929 JSVUOAMGBSDAEX-SSDOTTSWSA-N 315.322 -0.318 30 20 DBED COc1ncc(CCNc2cnc(-c3nn[nH]n3)c(C#N)n2)cn1 1591662698 BONYMAIOILOOML-UHFFFAOYSA-N 324.308 -0.018 30 20 DBED C#CCN1CCCN(C(=O)Cn2cccc(C(=O)O)c2=O)CC1 1602720462 UQISLDUPKFPGDF-UHFFFAOYSA-N 317.345 -0.286 30 20 DBED Cc1ccc(S(=O)(=O)NCC#CCO)c(-c2nn[nH]n2)c1 1605881799 KNGUVNBPXUBLOM-UHFFFAOYSA-N 307.335 -0.551 30 20 DBED N#Cc1ncn(CC(=O)NCC2(CC(=O)O)CCOCC2)n1 1608225366 MTCKMDSQYIGSLY-UHFFFAOYSA-N 307.310 -0.463 30 20 DBED C=CCOC[C@@H](NC(=O)Cn1cc([N+](=O)[O-])nc1C)C(=O)O 1609442845 HXPSPFCRCUZFGN-SECBINFHSA-N 312.282 -0.128 30 20 DBED N#Cc1nc(NC(=O)C[C@H]2CSCCN2)[nH]c1-c1nn[nH]n1 1609496406 JYGLZAZXOKPPNZ-LURJTMIESA-N 319.354 -0.505 30 20 DBED Cc1cnc(S(C)(=O)=O)nc1C(=O)N1CC(O)(CC#N)C1 1645982627 MESCYYDUAYISRK-UHFFFAOYSA-N 310.335 -0.711 30 20 DBED COCC(=O)N1CCN(c2nnc(C(C)(C)C#N)n2C)CC1 1646664656 JGNKESIWGHLKBF-UHFFFAOYSA-N 306.370 -0.089 30 20 DBED CN(CC#N)C[C@H]1CCCN(C(=O)CN2CCNC(=O)C2)C1 1752518744 PUVSPFFGTDKCGZ-CYBMUJFWSA-N 307.398 -0.888 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@H]1C[C@H](NC(=O)Cc2ccn(C)n2)C1 1752629350 UKXQQGWFAOYKEO-MRVWCRGKSA-N 319.409 -0.110 30 20 DBED N#CCNC(=O)CNC[C@@H]1CCCN(C(=O)[C@H]2CCCOC2)C1 1752795348 YRUSCFICFVTSKU-KBPBESRZSA-N 322.409 -0.119 30 20 DBED C#CCNC(=O)CNC[C@H]1CCN(C(=O)Cc2cc[nH]n2)C1 1752936765 WIFRAXWRXDGTMU-GFCCVEGCSA-N 303.366 -0.860 30 20 DBED C=CCNC(=O)[C@H](C)N(CC)CCNC(=O)[C@H]1CCNC1=O 1753089862 OKSDXTCLZIIGFF-RYUDHWBXSA-N 310.398 -0.749 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@@H](C)CNC(=O)c1cc[n+]([O-])cc1 1753612654 GTMLYEZSJAEWDT-CHWSQXEVSA-N 318.377 -0.587 30 20 DBED N#CCNC(=O)CNCC[C@H]1CCCCN1C(=O)c1cnon1 1753784839 CHPJKPVZJODOOY-LLVKDONJSA-N 320.353 -0.316 30 20 DBED CC#CCNC[C@H](O)CNC(=O)[C@H]1CC(=O)N(C(C)(C)C)C1 1753911760 AIPCKDRHSPNHNU-STQMWFEESA-N 309.410 -0.277 30 20 DBED C[C@@H](CCNCCNS(C)(=O)=O)NC(=O)C#CC1CC1 1753964856 OYOAZYUQPVKIEH-NSHDSACASA-N 301.412 -0.567 30 20 DBED C[C@H](CCNCC#N)NC(=O)c1ccc(-n2cnnn2)cn1 1753986550 OORMVCYUWOSNRH-SNVBAGLBSA-N 300.326 -0.321 30 20 DBED C#CCN1CCC(C(=O)N[C@H](C)CCN[C@H](C)C(N)=O)CC1 1754025709 PBMYFTFFZIVDJF-CHWSQXEVSA-N 308.426 -0.310 30 20 DBED C#CCNC(=O)CNCCN(CC)C(=O)c1ccc(C)nc1O 1754068922 DRSBPIZYINHXAZ-UHFFFAOYSA-N 318.377 -0.103 30 20 DBED N#CCNC(=O)CN1C[C@H]2C[C@H]1[C@H]2NC(=O)C1=CCOCC1 1754423189 CBSZHCBSMHDZAE-DYEKYZERSA-N 304.350 -0.838 30 20 DBED C=CCCOCC(=O)N[C@]1(C)CCN([C@@H]2CCC(=O)NC2=O)C1 1754684975 BKQGZCKMMGZULL-MLGOLLRUSA-N 323.393 -0.035 30 20 DBED C#CCCN1CC[C@@](O)(CNC(=O)[C@H](CC(C)C)C(N)=O)C1 1754762473 QQAGDHPFONUHOH-CZUORRHYSA-N 309.410 -0.290 30 20 DBED C#CCCN[C@H](C)[C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 1754790429 FZHKHPZOJMOQJB-VXGBXAGGSA-N 318.381 -0.773 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)[C@@H](OC)c1cnn(C)c1 1754969739 GIDBRUFJFHEPEG-KBPBESRZSA-N 306.366 -0.442 30 20 DBED CC(C)C#CC(=O)N[C@@H]1COC2(C1)CN(Cc1nnnn1C)C2 1755061016 DKCXXZUZFWWAQW-LBPRGKRZSA-N 318.381 -0.671 30 20 DBED C[C@H](C(=O)NC(N)=O)N(C)C[C@@H]1CCCN1C(=O)C#CC1CC1 1755193217 UMIASEOZUQNPHZ-YPMHNXCESA-N 320.393 -0.094 30 20 DBED C=CCNC(=O)CN[C@H](C)[C@H]1CN(C(=O)c2ccon2)CCO1 1755439519 QPVGHXKDJOPIFZ-DGCLKSJQSA-N 322.365 -0.204 30 20 DBED COC[C@H](C)C(=O)N1CCC(N(C)CC(=O)NCC#N)CC1 1755528184 BIINLEGQFBHMID-LBPRGKRZSA-N 310.398 -0.169 30 20 DBED COCC#CCN(C)CCOCCNC(=O)c1cnccn1 1755538229 MPGXKSGFDKPKQH-UHFFFAOYSA-N 306.366 -0.195 30 20 DBED C#CCN(C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCc2ncncc2C1 1755802091 PHRWCKZQXFKCHX-UKRRQHHQSA-N 316.405 -0.034 30 20 DBED C#CCN(CCNC(=O)[C@@H]1CCS(=O)(=O)C1)CCOC 1755839223 KYEKHKRTYCHWBR-GFCCVEGCSA-N 302.396 -0.881 30 20 DBED C=CCCOCC(=O)N[C@H](C)CN(C)C(=O)c1cn(C)nn1 1756447452 ANEXZQGEFKCHPG-LLVKDONJSA-N 309.370 -0.016 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@@H](NC(=O)CN(C)C(C)=O)[C@H](C)C1 1757054860 CSUWANYWVLMFMF-YRGRVCCFSA-N 323.393 -0.534 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(C(=O)c2coc(C)n2)C[C@@H]1O 1757562781 JNIXAQDFJBWNLT-YPMHNXCESA-N 323.349 -0.123 30 20 DBED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)C3(CC)COC3)C2)C1 1782950567 FHGUPRIGFRKSSH-INIZCTEOSA-N 306.362 -0.124 30 20 DBED C[C@@H](O)C(=O)N1CC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1783527674 KTBAOGYRZDWMGO-WBMJQRKESA-N 321.377 -0.109 30 20 DBED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccnnc3)[C@H]2C1 1785957413 DNSXAVBZFBBLBV-IHRRRGAJSA-N 314.345 -0.297 30 20 DBED C[C@H](CC(N)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC#N 1795078696 LFESSMUVEGYQTL-NJBDSQKTSA-N 322.365 -0.999 30 20 DBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCN(C)C)C2)C1 1839807302 YXHFLGLBDOUKGJ-INIZCTEOSA-N 323.393 -0.972 30 20 DBED C#CCCC(=O)N1CC2(CCCN2C(=O)Cn2ccnn2)C1 1843103517 BNSGKCZEVWUQTO-UHFFFAOYSA-N 301.350 -0.105 30 20 DBED CC(=O)NCC(=O)N1CCCC12CN(C(=O)C(C)(C)C#N)C2 1845989421 PYHIWBRVXCKVRI-UHFFFAOYSA-N 306.366 -0.124 30 20 DBED CCn1cc(C#N)c(=O)n(CC(=O)N2C[C@H](C)O[C@H](C)C2)c1=O 22284687 YTXKZKSFFVECCJ-PHIMTYICSA-N 320.349 -0.463 30 20 DBED O=C(CN1CCS(=O)(=O)CC1)NCC#Cc1ccccc1 45061024 SEONUVCVSCUNTC-UHFFFAOYSA-N 306.387 -0.115 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN([C@@H](C)C(=O)NCC=C)CC1 70738736 NGHAEXBHBADHPV-KBPBESRZSA-N 308.426 -0.015 30 20 DBED C#Cc1cccc(NC(=O)CN(C)C(=O)CNC(=O)NC)c1 89567718 GIBPWOGQQVSIPO-UHFFFAOYSA-N 302.334 -0.006 30 20 DBED C=CCN(CC(=O)OCC)S(=O)(=O)CCS(C)(=O)=O 97602682 PSKOBAACRHRXED-UHFFFAOYSA-N 313.397 -0.588 30 20 DBED CCCN/C(N)=N/CCC(=O)N1CCN(c2ncccn2)CC1 104191264 OVPPHJNKRFUGDI-UHFFFAOYSA-N 319.413 -0.170 30 20 DBED CNC(=O)[C@@H](NC(=O)CN1CCO[C@H](C#N)C1)c1ccccc1 107307103 SMJPVWKIOOAZRC-HIFRSBDPSA-N 316.361 -0.186 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)NCC(=O)NC2CC2)cc1 171107318 HRWPUTLZEDTZIQ-UHFFFAOYSA-N 300.318 -0.317 30 20 DBED N#Cc1ccc(S(=O)(=O)NCCOCC(N)=O)c(Cl)c1 227306570 ZGIANQDPAJDABI-UHFFFAOYSA-N 317.754 -0.008 30 20 DBED C[C@@](C#N)(NC(=O)CN1CC[C@@H](NS(C)(=O)=O)C1)C1CC1 247159723 QMQVETNNONXXRA-YPMHNXCESA-N 314.411 -0.582 30 20 DBED C/N=C(/NCCS(C)(=O)=O)N1CCC[C@@H](CC(N)=O)C1 261740495 KPOZLUHWWIOITA-JTQLQIEISA-N 304.416 -0.806 30 20 DBED CN(C)C(=NCCNS(=O)(=O)Cc1ccon1)N(C)C 262715074 RFLGRXACBNKUSI-UHFFFAOYSA-N 303.388 -0.427 30 20 DBED COCCn1c(N)c(C(=O)CN(CC#N)C2CC2)c(O)nc1=O 264229847 RBSDAWRCWAAQQK-UHFFFAOYSA-N 321.337 -0.652 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@H](O)[C@H](CC)C2)C1=O 270661268 RXGVVQMLXJQFJN-ZJUUUORDSA-N 309.322 -0.808 30 20 DBED Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NCC#N)[C@H](C)O)cc1 272482354 QRNXZZZUQLMVCJ-CMPLNLGQSA-N 311.363 -0.338 30 20 DBED C=C[C@H](CO)NC(=O)[C@@H]1CC(=O)N(C[C@@H]2CCCN2CC)C1 290605875 NNCPYFOJDTWONV-MCIONIFRSA-N 309.410 -0.018 30 20 DBED CCS(=O)(=O)NCCNS(=O)(=O)c1ccccc1C#N 298400612 JBXGWRPLSLPBPG-UHFFFAOYSA-N 317.392 -0.224 30 20 DBED CN(C1CCN(/C(O)=N/[C@@H]2[C@H]3COC[C@H]32)CC1)S(C)(=O)=O 330023279 IKMXNVZIGLCZRR-GDNZZTSVSA-N 317.411 -0.099 30 20 DBED CCCN1CC[C@H](C/N=C(/O)N2CC[C@H](S(N)(=O)=O)C2)C1 330240990 FMWYPFIHQPWUFQ-NEPJUHHUSA-N 318.443 -0.005 30 20 DBED C[C@@H]1CN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC[S@](=O)C1 330337877 UONLRNRWTQTBFQ-BTKVJGODSA-N 310.379 -0.840 30 20 DBED CC/N=C(/O)NC(=O)[C@@H](C)N1CCN(CC(=O)OC)CC1 330689774 FEXLLSLAIOTSKJ-SNVBAGLBSA-N 300.359 -0.784 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)NCC1(S(C)(=O)=O)CC1 331762502 NWBQFVRTFADNFE-VIFPVBQESA-N 309.413 -0.368 30 20 DBED COCC(=O)N1CCN(S(=O)(=O)CC2(C#N)CC2)CC1 332032887 XMXJNKCJBVBVCN-UHFFFAOYSA-N 301.368 -0.589 30 20 DBED CN1CCC[C@H](N(C)S(=O)(=O)N2CCO[C@H](C#N)C2)C1 337053425 AJYUFVGSPBDRAG-NWDGAFQWSA-N 302.400 -0.518 30 20 DBED C=CCCOCCNS(=O)(=O)c1cnn(CC(=O)OC)c1 339786437 HAVAGWXGFFWCHY-UHFFFAOYSA-N 317.367 -0.073 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCCN[C@H]2C)CC1 342766465 VENFGHANVBNTNT-KBPBESRZSA-N 308.426 -0.179 30 20 DBED N#Cc1cccc(NCC(=O)N2CCC[C@](O)(C(N)=O)C2)c1 348795409 ICISMRKOTFCWIM-OAHLLOKOSA-N 302.334 -0.191 30 20 DBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCC(F)(F)CN 418817564 BKAMTACPECRQSJ-UWVGGRQHSA-N 305.325 -0.206 30 20 DBED C=CCCn1cc(C(=O)N2CCC[C@@H](O)[C@H]2C(=O)OC)nn1 424792397 CQHKXKHZIQPPKN-NEPJUHHUSA-N 308.338 -0.007 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCCCNC(C)=O 430385245 IHHCEFQETDUIJF-OLZOCXBDSA-N 311.382 -0.274 30 20 DBED CNC(=O)Cn1cnc(NS(=O)(=O)c2cccc(C#N)c2)n1 437307432 SIOOAKDMNBIOQS-UHFFFAOYSA-N 320.334 -0.303 30 20 DBED N#Cc1ccc(NCC(=O)NC[C@@H]2CCCN2CCCO)nc1 452772876 AAMSBIFMIJUAQJ-AWEZNQCLSA-N 317.393 0.328 30 20 DBED C#CCN1CCN(C(=O)CN2CCC[C@H]2C(=O)N(C)C)CC1 490738966 ACHCUPXMXHFTLW-AWEZNQCLSA-N 306.410 -0.684 30 20 DBED C#CCN1CCN(C(=O)CN2CC[C@@H](COCCOC)C2)CC1 490739623 FNUCRJWSBBHKHR-MRXNPFEDSA-N 323.437 -0.251 30 20 DBED C=CCN(C(=O)CN1CCCNC1=O)[C@H]1CCS(=O)(=O)C1 518807547 YJVHVOAJYGZVNH-NSHDSACASA-N 315.395 -0.397 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N[C@H](C(=O)O)c1ccnn1C 567886829 XMDSIWRPQMGVQY-SCZZXKLOSA-N 315.355 -0.386 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCO[C@H](C(=O)O)C1 570284352 HAAVDWGZJYGCOL-ZJUUUORDSA-N 305.356 -0.502 30 20 DBED CC[C@H](CC#N)NCC(=O)N1CCN(CC(=O)N(C)C)CC1 573134528 MHCHDNKTGDYUQH-CYBMUJFWSA-N 309.414 -0.499 30 20 DBED CO[C@@H]1CS(=O)(=O)C[C@@H]1NS(=O)(=O)CC1(C#N)CC1 594823059 QPYXFAMNBDZLFI-DTWKUNHWSA-N 308.381 -0.978 30 20 DBED COC[C@H](OC)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 597554729 XQMQBYWSAMTFGW-ZDUSSCGKSA-N 321.381 -0.090 30 20 DBED N#Cc1ncn(CC(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)n1 610883736 BMGNYAYFMPZZDF-NEPJUHHUSA-N 304.354 -0.793 30 20 DBED N#Cc1ncn(CC(=O)N[C@@H]2CCCC[C@@H]2N2CCOCC2)n1 610887659 NNOQGNKECCKLPK-OLZOCXBDSA-N 318.381 -0.091 30 20 DBED C=C[C@H](O)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCC(N)=O 612349224 BCBFYXXUHATGQN-OLZOCXBDSA-N 319.361 -0.748 30 20 DBED Cc1cc(=NC(=O)N=c2ccn(CCO)[nH]2)[nH]n1CCC#N 615029310 IPNFJPKMDYXABI-UHFFFAOYSA-N 303.326 -0.218 30 20 DBED CC(=O)N1CCCC[C@H]1CCS(=O)(=O)NCC#CCO 632515934 MPILJPHBLUGUCV-ZDUSSCGKSA-N 302.396 -0.307 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2O[C@H]3C=C[C@H]2CC3)C1=O 636413600 FIWXNMSWRHSLAR-UWVGGRQHSA-N 305.290 -0.176 30 20 DBED C=C[C@H](CO)NCCC(=O)N1CCN(c2ncccn2)CC1 662165990 XMDMFSWOGBWGGZ-CYBMUJFWSA-N 305.382 -0.348 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)[C@@H](NC(=O)OC)C(C)C 733554508 VGTZDAHQTNEZIN-JTQLQIEISA-N 315.326 -0.078 30 20 DBED N#Cc1nc(NC(=O)COc2cccnc2)[nH]c1-c1nn[nH]n1 737704436 FRXXPGNEVDXJLM-UHFFFAOYSA-N 311.265 -0.126 30 20 DBED Cc1nn(CN2CCOC[C@H]2C#N)c(=S)n1CC(=O)N(C)C 742164372 KMEGAQAFEWXHOP-LLVKDONJSA-N 324.410 -0.007 30 20 DBED C#CCNC(=O)c1ccccc1NC(=O)CS(=O)(=O)NC 751565624 MERCXPOSTRRQJZ-UHFFFAOYSA-N 309.347 -0.463 30 20 DBED C#CCCCC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 760148826 MCEKBPBYJMQVBM-UHFFFAOYSA-N 319.361 -0.390 30 20 DBED C#CCNS(=O)(=O)N1CCN(CC2CCOCC2)CC1 761023757 KLOVQXUXJFEBOY-UHFFFAOYSA-N 301.412 -0.502 30 20 DBED C#CCCCCC(=O)NCCN1CCN(S(C)(=O)=O)CC1 773275772 QBFJIWQWFFLXBW-UHFFFAOYSA-N 315.439 -0.127 30 20 DBED CN1CC[C@H](C(=O)NS(=O)(=O)c2cccc(C#N)c2)C1=O 773950769 FEBDXTYKZHWENM-LLVKDONJSA-N 307.331 -0.159 30 20 DBED CCN(CCC#N)S(=O)(=O)NC[C@H](O)c1cnn(C)c1 800061245 AXRJQYDUANEGPH-NSHDSACASA-N 301.372 -0.477 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)OCCOCCC#N)C1=O 815199636 CXXROLFRBPDARI-UHFFFAOYSA-N 309.278 -0.563 30 20 DBED C#CCOCCNC(=O)c1ccc2c(c1)NC(=O)CNC2=O 816080241 DRMWGIWPJJPMAF-UHFFFAOYSA-N 301.302 -0.252 30 20 DBED NC(=O)c1ccccc1NCC(=O)N[C@@H]1CCCN(O)C1=O 816757519 UUMPTNMJVURXCZ-LLVKDONJSA-N 306.322 -0.306 30 20 DBED CCN(CC)CC#C[C@@H](C)OC(=O)Cn1cnc(C(N)=O)n1 845494274 AJLASNYXDKHMLZ-LLVKDONJSA-N 307.354 -0.346 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCS(=O)(=NS(C)(=O)=O)CC1 854592951 VQKYBHZVEJUBME-NSHDSACASA-N 324.424 -0.417 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CC1 878719136 RNEDMEDCVIYBFJ-OFQRWUPVSA-N 319.405 -0.305 30 20 DBED C=CCN1CCC(NC(=O)C(=O)N2C[C@@H]3CC[C@H](C2)N3)CC1 884642386 HRJCEHQKBXTRBQ-OKILXGFUSA-N 306.410 -0.284 30 20 DBED C#CC1(O)CN(C(=O)CN2CCN(c3ccccn3)CC2)C1 890523772 YOYMXLHWGHIJSS-UHFFFAOYSA-N 300.362 -0.590 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@@H]1CCN(C)C(=O)C1 912703217 CVTUICHNLNZCLW-VHSXEESVSA-N 311.338 -0.202 30 20 DBED C=CCNC(=O)[C@@H](C)OC(=O)c1cc(S(=O)(=O)NC)c[nH]1 915243205 XGEKJDVWEXUEHK-MRVPVSSYSA-N 315.351 -0.230 30 20 DBED O=C(NCC#CCO)NCC1(N2CCOCC2)CCOCC1 923769419 VAWVPOMGLHZNBE-UHFFFAOYSA-N 311.382 -0.837 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@H](NC(=O)Cn3nccn3)C2)c1 938015571 UFDODDXFFNTYCK-NSHDSACASA-N 313.321 -0.491 30 20 DBED C[C@@H](C#N)C(=O)N1CCCC[C@@H](NC(=O)Cn2cnnc2O)C1 943201649 UHMUFFRMGKRSMF-WDEREUQCSA-N 320.353 -0.359 30 20 DBED C[C@@H]1C[C@@H](NC(=O)CN2CCCS2(=O)=O)CCN1CC#N 947365524 OLSLPLPWDZRJHZ-NEPJUHHUSA-N 314.411 -0.485 30 20 DBED COc1nccc(C(=O)NC[C@H]2CCN2C(=O)[C@H](C)C#N)n1 951330970 KKNZIUQIOSKOOP-NXEZZACHSA-N 303.322 -0.024 30 20 DBED CN(C(=O)[C@H]1CCCNC1=O)C1CN(C(=O)C#CC2CC2)C1 954521075 XVLYUKRDBXCAKV-ZDUSSCGKSA-N 303.362 -0.405 30 20 DBED C=CCCN1C[C@@H](O)[C@H](CNC(=O)c2ccc3nn[nH]c3n2)C1 958122628 YSMKDYMQKFNNGX-ZWNOBZJWSA-N 316.365 -0.049 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2nc3ncc(C)cn3n2)C1 958168059 SIRKSZDHSLSUPI-VXGBXAGGSA-N 314.349 -0.912 30 20 DBED C#CCOc1ccc(C(=O)NC[C@H]2CN(CCO)C[C@H]2O)cc1 958452463 FMGLPGVCMANPTO-GOEBONIOSA-N 318.373 -0.287 30 20 DBED Cn1nnc(CN2C[C@@H]3C(NC(=O)c4ccc(C#N)[nH]4)[C@H]3C2)n1 958601742 JSJCENQESVYBMQ-UWVGGRQHSA-N 312.337 -0.730 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1[C@@H]2CN(CC(=O)NC)C[C@@H]12 962019317 UIUPKEXFSCVBMO-YFCNSXCBSA-N 307.394 -0.240 30 20 DBED Cc1cc(C(=O)NC[C@@H]2COCCN2C(=O)[C@H](C)C#N)ncn1 964150774 RGBOTCYIICQOJL-ZYHUDNBSSA-N 317.349 -0.098 30 20 DBED CN1CCC(C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2O)CC1 968456331 LXYNZQKEUUAXBP-CABCVRRESA-N 319.405 -0.571 30 20 DBED C#CCCN1CC([C@@H](C)NC(=O)c2nc(O)nc(O)c2OC)C1 970735725 SNPPYZJQUWYBDC-SECBINFHSA-N 320.349 -0.030 30 20 DBED C#CCN1C[C@H]2CC[C@H]1CN2C(=O)[C@H]1C[C@H](OC)CN1C(C)=O 971643301 PUHJWHKQSBPSCP-XUWVNRHRSA-N 319.405 -0.069 30 20 DBED CN1C(=O)CC[C@H]1C(=O)N1CC[C@@]2(CN(CC#N)CCO2)C1 972502010 KDZCVBRZMUQAKN-SWLSCSKDSA-N 306.366 -0.566 30 20 DBED Cn1nnc(C(=O)N2C[C@H]3CCN(C(=O)C#CC4CC4)C[C@H]32)n1 974811460 RWKFQJKDHACAAU-VXGBXAGGSA-N 314.349 -0.704 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)[C@@]3(C)CCNC(=O)C3)[C@H]2C1 976765312 YWRJVDHWSWQAHR-CTSUJBPDSA-N 318.377 -0.365 30 20 DBED CN(C[C@@H]1CCN1C(=O)C#CC1CC1)C(=O)[C@H]1CCC(=O)NC1 977975619 QPECNRNFKZMRAG-KBPBESRZSA-N 317.389 -0.015 30 20 DBED C[C@H](C#N)C(=O)N1CCCN(CCN2C(=O)CCC2=O)CC1 980838103 GERSJLQSVSSBAR-GFCCVEGCSA-N 306.366 -0.171 30 20 DBED C#CCN1CCCC2(C1)CN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)C2 982009490 SUSFNKYZHYHXBR-QWHCGFSZSA-N 305.378 -0.423 30 20 DBED NC(=O)C(=O)N1C[C@H]2CC[C@H]1[C@H]1CN(C(=O)C#CC3CC3)C[C@@H]21 984252444 NVUQCOHXQUZILN-RFGFWPKPSA-N 315.373 -0.420 30 20 DBED C#CCN[C@H]1CCN(C(=O)c2ccc(=O)n(CCOC)n2)[C@H]1C 986519160 XOOTVGPIEUIRIR-STQMWFEESA-N 318.377 -0.285 30 20 DBED Cn1nccc1CC(=O)NC1CN(C(=O)c2c[nH]c(C#N)c2)C1 991060141 FPWZKVRIRHQDDE-UHFFFAOYSA-N 312.333 -0.197 30 20 DBED CC1(C)CN(C(=O)[C@@H]2CCS(=O)(=O)N2)C[C@H]1NCC#N 996643184 NNZIOUASDACHRD-VHSXEESVSA-N 300.384 -0.972 30 20 DBED CN(C(=O)c1coc(S(N)(=O)=O)c1)C1CC(NCC#N)C1 999003745 HCDRWTYPHRLBNT-UHFFFAOYSA-N 312.351 -0.357 30 20 DBED COCC(=O)N1C[C@H]2C[C@@H]3CN(C(=O)C#CC4CC4)C[C@]2(C1)O3 1001576570 KUYKLNKVEBJMJV-CPUCHLNUSA-N 318.373 -0.126 30 20 DBED CN1CC[C@H](C(=O)NCC2CCN(CC#N)CC2)S1(=O)=O 1001935203 WCTRBHBYIKMWAC-GFCCVEGCSA-N 314.411 -0.628 30 20 DBED CC(C)N1CCO[C@@H](C(=O)NCC2CN(C(=O)[C@@H](C)C#N)C2)C1 1003793649 OSQRHZHZLMQYCX-GXTWGEPZSA-N 322.409 -0.170 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](NC(=O)Cn2cnnc2O)C(C)(C)C1 1008060577 ZQYGLVRLKPVJMK-ZJUUUORDSA-N 320.353 -0.503 30 20 DBED COc1nccc(C(=O)N2CCN(C(=O)[C@@H](C)C#N)CC2)n1 1011764750 YTHPAGYJMMEWSM-JTQLQIEISA-N 303.322 -0.071 30 20 DBED CC#CCN1CCC2(CC1)C[C@H]2NC(=O)CN1CCOCC1=O 1016662066 PYUIEDYBJUBNMM-CQSZACIVSA-N 319.405 -0.161 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]2CN(C(=O)CN3CCOCC3)C[C@H]21 1022564249 HOVWNVPKCAGNCA-MELADBBJSA-N 320.393 -0.462 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]2CN(C(=O)CN3CCCC3=O)C[C@H]21 1022565289 UVTBCTOAJIBIAA-FRRDWIJNSA-N 318.377 -0.172 30 20 DBED N#Cc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)CC3CC3)C2)c[nH]1 1022882807 DIKFBXILWXJQNE-CHWSQXEVSA-N 302.334 -0.012 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C(C)C)C1 1023086151 YQJYVSBAAAFGRZ-HZSPNIEDSA-N 307.394 -0.572 30 20 DBED C=C(C)CN1CCC[C@@H](CNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 1023622110 WYGRGPNFTPKLJD-RYUDHWBXSA-N 308.382 -0.011 30 20 DBED CN(C(=O)[C@H]1CCc2nnn(C)c2C1)[C@@H]1CCN(CC#N)C1 1033362323 LOBGNAXBHDVYKF-NWDGAFQWSA-N 302.382 -0.024 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)[C@H]2CC(=O)N(C(C)C)C2)C1 1035389724 GALFNYPOVOYXPS-KBPBESRZSA-N 307.394 -0.307 30 20 DBED N#Cc1cc(CN2C[C@H]3C[C@H]2[C@@H]3NC(=O)C(N)=O)ccc1F 1037563922 KQYGYNLPPHYJCO-KGYLQXTDSA-N 302.309 -0.128 30 20 DBED CC(C)C#CC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2CCN(C)C2)C1 1039668599 ZRSKYGOXXBLEIG-PBHICJAKSA-N 321.421 -0.323 30 20 DBED C#CCOCCC(=O)NC[C@]1(O)CCN(C(=O)c2ncc[nH]2)C1 1039719563 WWPPZOALNNWJQR-OAHLLOKOSA-N 320.349 -0.857 30 20 DBED O=C(NC[C@]1(O)CCN(C(=O)C#CC2CC2)C1)c1csnn1 1040373966 FWFXLQCRURCVJQ-CQSZACIVSA-N 320.374 -0.355 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)[C@@H](C)n2cccn2)C1 1041612471 MDTPCSYUIPVFGQ-CYBMUJFWSA-N 318.377 -0.207 30 20 DBED C#CCN1CC[C@@]2(CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)C1 1041675928 SRPCDXDNSOWEEA-WOSRLPQWSA-N 305.378 -0.423 30 20 DBED CC(C)CO[C@@H](C)C(=O)NCC1(O)CN(C(=O)[C@H](C)C#N)C1 1041780494 LANRMNWDPWVYIX-NEPJUHHUSA-N 311.382 -0.103 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)Cc2ccc(O)nc2)C1 1041969859 QTWWQYCFOADLDD-UHFFFAOYSA-N 319.361 -0.015 30 20 DBED C#CCCCCC(=O)NCC1(O)CN(C(=O)c2cnn[nH]2)C1 1042661218 PVZIGGJXPXZCEB-UHFFFAOYSA-N 305.338 -0.699 30 20 DBED N#CCSCC(=O)N1CC(O)(CNC(=O)Cc2ccoc2)C1 1042732839 YHNUYMDUQASGQT-UHFFFAOYSA-N 323.374 -0.232 30 20 DBED C=CCCCC(=O)N1CC(O)(CNC(=O)[C@H](C)NC(N)=O)C1 1042760118 KREWKONTHLAAJR-JTQLQIEISA-N 312.370 -0.911 30 20 DBED Cc1cc(C(=O)N2CC(O)(CNC(=O)C#CC3CC3)C2)ncn1 1042959322 WEWCHRPKVVPDQB-UHFFFAOYSA-N 314.345 -0.498 30 20 DBED C=CCC(C)(C)C(=O)N1CC(O)(CNC(=O)c2cnn[nH]2)C1 1043814354 XPUBKYALNCJBGI-UHFFFAOYSA-N 307.354 -0.290 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)CCn2ccnc2)C1 1045559599 MSYVPDQEKMROEF-NSHDSACASA-N 305.338 -0.878 30 20 DBED C#CCN1CC[C@H](N2CCN(C(=O)[C@@H]3CC(=O)N(C)C3)CC2)C1 1046033773 KQTNWGMXRPRKGM-CABCVRRESA-N 318.421 -0.684 30 20 DBED C=CCOCC(=O)N(C)[C@H]1CN(C(=O)C2(CF)CC2)C[C@@H]1O 1048558587 SCUNBYPZPFFWEP-RYUDHWBXSA-N 314.357 -0.031 30 20 DBED C#CCCCC(=O)N(C)[C@H]1CN(C(=O)c2ccnnc2)C[C@@H]1O 1048754686 YOWIRSHXIKGUDT-KBPBESRZSA-N 316.361 -0.076 30 20 DBED CCn1nncc1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)C#N)C1 1049393509 ALAKIBDKIKYSDG-DLOVCJGASA-N 320.353 -0.899 30 20 DBED C#CCCCC(=O)N[C@H](C)[C@H]1CCN(C(=O)CNC(N)=O)C1 1049982177 BMHAZFWMFKIZNS-NEPJUHHUSA-N 308.382 -0.189 30 20 DBED C=CCCC(=O)N1CC[C@@H]([C@@H](C)NC(=O)Cn2cnnn2)C1 1050250616 AZVSVJWVRUUWDT-VXGBXAGGSA-N 306.370 -0.008 30 20 DBED C=CCOCC(=O)N[C@@H](C)[C@@H]1CCN(C(=O)c2cn(C)nn2)C1 1050613105 VYWLBAPLMIMKKK-NWDGAFQWSA-N 321.381 -0.016 30 20 DBED C=CCOCC(=O)N[C@@H](C)[C@H]1CCN(C(=O)Cn2ncnn2)C1 1050808191 KBVXWMZUYNZREB-RYUDHWBXSA-N 322.369 -0.771 30 20 DBED C=C(Cl)CN1CCOC[C@H]1CNC(=O)[C@H]1C[C@H]1C(N)=O 1051116556 KIVOEAKMIDFOMM-MXWKQRLJSA-N 301.774 -0.323 30 20 DBED Cc1ccnc2nc(C(=O)NC[C@@H]3COCCN3CC#N)nn12 1051234274 HXKBWYPVFPSBQP-LLVKDONJSA-N 315.337 -0.613 30 20 DBED C#CCCN1CCC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)CC1 1052393103 DYLHTGCJUBYIBX-GFCCVEGCSA-N 318.381 -0.629 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H](C)[C@H](CNC(=O)CCOC)C1 1052398857 YEGZWWVJPRKIAE-QWHCGFSZSA-N 323.393 -0.627 30 20 DBED C#CCOCCC(=O)NC[C@H]1CN(C(=O)c2cnon2)C[C@H]1C 1053238785 BOTVQYSBZMGINS-NEPJUHHUSA-N 320.349 -0.066 30 20 DBED N#CCN1CC2(C1)CN(C(=O)[C@@H]1CCNC(=O)CC1)CCO2 1053358159 ISELPNRDJTYWPA-LBPRGKRZSA-N 306.366 -0.661 30 20 DBED C#CCCN1CC2(CC[C@H](CNC(=O)[C@H]3CCN(C)C3=O)O2)C1 1053642975 QPMQODAUWVEYNF-ZIAGYGMSSA-N 319.405 -0.162 30 20 DBED COc1cc(C(=O)N[C@@H]2COC3(C2)CN(CC#N)C3)ncn1 1053804627 ZZXSMGCKBDTHAY-JTQLQIEISA-N 303.322 -0.418 30 20 DBED CC(C)c1nnnn1CC(=O)N[C@@H]1COC2(C1)CN(CC#N)C2 1053949481 IUYHWNOYNFOIDL-NSHDSACASA-N 319.369 -0.720 30 20 DBED C=CCN1CC2(C[C@@H](NC(=O)c3nccnc3C(N)=O)CO2)C1 1054002949 MFNMPLUWHBYSRL-SNVBAGLBSA-N 317.349 -0.665 30 20 DBED C=CCN1CC2(C[C@H](NC(=O)c3cn(C)c(=O)n3C)CO2)C1 1054019661 ZVMPCIRGXVPLKE-NSHDSACASA-N 306.366 -0.517 30 20 DBED CN(c1cnc(C#N)cn1)[C@@H]1CCN(C(=O)Cn2cnnn2)C1 1056849423 DTXHKVYZBINUDU-LLVKDONJSA-N 313.325 -0.928 30 20 DBED C#CCCCC(=O)N(CCO)CCNC(=O)Cc1nonc1C 1057441478 IVQIPGVDKLHSLZ-UHFFFAOYSA-N 322.365 -0.339 30 20 DBED CC(C)(C)C#CC(=O)N(CCO)CCNC(=O)c1cnn[nH]1 1057539994 CGWAJRVNEGLBBJ-UHFFFAOYSA-N 307.354 -0.595 30 20 DBED N#Cc1cnc(N2CCC[C@H](NC(=O)[C@@H]3CNC(=O)N3)C2)cn1 1058231250 CIDACPWMFGRNJN-ONGXEEELSA-N 315.337 -0.885 30 20 DBED CC#CCCCC(=O)N(CCO)CCNC(=O)[C@H]1CCNC1=O 1058444075 BGRRWDYLIMHINC-ZDUSSCGKSA-N 323.393 -0.747 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)c1ccc(F)cn1 1058653568 YXXYLRVJBAJCDQ-SNVBAGLBSA-N 308.313 -0.069 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)CCN1CCCC1=O 1058658994 PZHBLCBQCPGMBN-GFCCVEGCSA-N 324.381 -0.904 30 20 DBED CCOCC(=O)NC[C@@H]1COCCN1C(=O)c1ccc(C#N)[nH]1 1061238000 WQRDCYGDKWTYGF-GFCCVEGCSA-N 320.349 -0.120 30 20 DBED N#CCSCC(=O)NC[C@@H]1COCCN1C(=O)c1ncc[nH]1 1061319382 FMVYWFLVMCRZNQ-SNVBAGLBSA-N 323.378 -0.376 30 20 DBED C=CCCC(=O)NC[C@H]1COCCN1C(=O)[C@H](C)NC(N)=O 1061406134 HFPOVDBGJGGLQJ-QWRGUYRKSA-N 312.370 -0.647 30 20 DBED CC(C)(O)CC(=O)N1CCOC[C@H]1CNC(=O)C#CC1CC1 1061570155 UWOXJALVYCKPKP-CYBMUJFWSA-N 308.378 -0.096 30 20 DBED Cn1cc(C(=O)NC[C@H]2CCN(c3cnc(C#N)cn3)C2)nn1 1061582420 BFLCLVPNEIUIGM-SNVBAGLBSA-N 312.337 -0.267 30 20 DBED C[C@H](N=c1cc[nH]cc1C#N)[C@@H]1CCCN(C(=O)C(N)=O)C1 1063903850 CQMBHRJQDVVRRS-WDEREUQCSA-N 301.350 -0.101 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(C(=O)COCC)CCO1 1064806972 PGVTYQFFQGKUHS-CYBMUJFWSA-N 312.366 -0.594 30 20 DBED C#CCOCCC(=O)NC[C@H]1CN(C(=O)c2cc[nH]n2)CCO1 1064889794 BTRRXZPLILAGIH-LBPRGKRZSA-N 320.349 -0.593 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@H]1CN(C(=O)c2cn[nH]c2)CCO1 1064895837 LCUJESSFUKBKSP-WFASDCNBSA-N 322.365 -0.306 30 20 DBED C=CCCC(=O)N1CCO[C@@H](CNC(=O)[C@@H]2CN(C)C(=O)N2)C1 1064959021 FNWREXXJTOFNGM-RYUDHWBXSA-N 324.381 -0.680 30 20 DBED C=CCCOCC(=O)N1CCO[C@H](CNC(=O)[C@H](C)OC)C1 1065280919 TVHNBJAXEBEJIN-QWHCGFSZSA-N 314.382 -0.042 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CN(C(=O)c2n[nH]cc2F)CCO1 1065585086 KBZKOMQBIBVDHW-BDAKNGLRSA-N 309.301 -0.334 30 20 DBED C=CCO[C@H](C)C(=O)N1CCC[C@H](NC(=O)CC(N)=O)CC1 1066014472 JFANUDALEMCTKM-NEPJUHHUSA-N 311.382 -0.050 30 20 DBED N#Cc1nccnc1N1C[C@H](O)[C@H](CNC(=O)c2cc[nH]c2)C1 1067695500 LKIBCDSOUWMJFJ-YPMHNXCESA-N 312.333 -0.097 30 20 DBED Cn1ncc(C(=O)NCC2[C@H]3CN(c4nccnc4C#N)C[C@H]23)n1 1068178308 VCLLUPBPCWJOJJ-GHMZBOCLSA-N 324.348 -0.411 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CN(C(=O)CSCC#N)CCO2)C1 1068314865 WAIJVHXSLMJEQG-LLVKDONJSA-N 322.390 -0.157 30 20 DBED C[C@@H]1C[C@@H](Nc2nccnc2C#N)CN1C(=O)Cn1cnnn1 1069006590 UIDKHGYXTUXHFP-NXEZZACHSA-N 313.325 -0.564 30 20 DBED C=CCCC(=O)NC1(CNC(=O)Cn2cnnn2)CCOCC1 1070030918 WJMNVXNCEAFEPS-UHFFFAOYSA-N 322.369 -0.579 30 20 DBED N#CCN1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2COC(=O)N2)C1 1070407345 CWKIFWPBGQRMOA-KOLCDFICSA-N 318.337 -0.553 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@@H](NC(=O)C2(CF)CC2)C1 1070640545 NFKVFTFPWRJBLD-GFCCVEGCSA-N 323.368 -0.017 30 20 DBED C=C(C)CN1CC[C@]2(C1)CN(C(=O)Cn1cnnn1)C[C@H](C)O2 1071133398 ASTVEUZJWSYKJQ-ZFWWWQNUSA-N 320.397 -0.059 30 20 DBED C[C@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@]2(CCN(CC#N)C2)O1 1071179009 ZFGFISPEIQPXDF-XHDPSFHLSA-N 308.382 -0.287 30 20 DBED C#CCN1C[C@@H](NC(=O)Cn2ccc(O)nc2=O)CC[C@H]1C 1071659339 IPAGPVMGWMWVCF-NEPJUHHUSA-N 304.350 -0.449 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CN(C(=O)c2cn[nH]c2)C[C@@H]1C 1071671620 DQSZZPBLJJWIRN-JQWIXIFHSA-N 317.349 -0.874 30 20 DBED C=CCOCC(=O)N1C[C@H](C)[C@H](NC(=O)c2cnnn2C)C1 1071809458 VBLLXWMHCOVPNP-WDEREUQCSA-N 307.354 -0.406 30 20 DBED C#CCOCCC(=O)N1C[C@@H](NC(=O)c2cn(C)nn2)[C@H](C)C1 1072096630 BPRUIHVPOIWESK-VXGBXAGGSA-N 319.365 -0.568 30 20 DBED CC#CCN1CCC2(C1)CN(C(=O)CN1CC(=O)NC1=O)C2 1073062475 BVLPVUSVCQNTHK-UHFFFAOYSA-N 304.350 -0.904 30 20 DBED C#CCCN1CCCO[C@H](CNC(=O)[C@H]2CCNC(=O)C2)C1 1073572102 RDMMITYWNYVDQB-UONOGXRCSA-N 307.394 -0.257 30 20 DBED COc1ncc(C(=O)NC[C@@H]2CN(CC#N)CCCO2)cn1 1073841229 FLWUIWYRKCTHDQ-GFCCVEGCSA-N 305.338 -0.171 30 20 DBED N#Cc1cc(C(=O)N2CC[C@@H]3OCCN(CCO)[C@H]3C2)c[nH]1 1074212751 VGVBMNZQNWQCKN-KBPBESRZSA-N 304.350 -0.206 30 20 DBED C[C@H]1C[C@@H](NC(=O)C#CC2CC2)CCN1C(=O)Cn1ncnn1 1074982698 WIADWHKFDNDLLX-AAEUAGOBSA-N 316.365 -0.418 30 20 DBED C[C@@H](CCNC(=O)CSCC#N)NC(=O)[C@@H](C)CC(N)=O 1075679092 GDRMFYLBOWWPSW-UWVGGRQHSA-N 314.411 -0.234 30 20 DBED C[C@@H](CCNC(=O)c1cc(C#N)c[nH]1)NC(=O)[C@H]1COC(=O)N1 1076070968 FUWAZRGSPFFGEL-GZMMTYOYSA-N 319.321 -0.381 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)c1ccc[nH]1 1076217915 NXKYJKAGVREYHO-NSHDSACASA-N 304.350 -0.221 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H](C)CCNC(=O)Cc1nnc(C)o1 1076373379 RIABSAYAFRHBQG-WDEREUQCSA-N 322.365 -0.030 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2COCCN2CCCC)C1 1077444046 INDZYPRVZIOQNA-RBSFLKMASA-N 309.410 -0.718 30 20 DBED N#CCN[C@@H]1C[C@H](NC(=O)CN2CCC(=O)NC2=O)C12CCC2 1078774362 WTLAAPSISOJKNY-MNOVXSKESA-N 319.365 -0.531 30 20 DBED C#CCOCCC(=O)N1CCC[C@H](N(C)C(=O)C(N)=O)CC1 1079051623 BAEWKVMYZJMZIS-LBPRGKRZSA-N 309.366 -0.649 30 20 DBED CCN(C(=O)Cn1ncnn1)C1CN(C(=O)C#CC(C)C)C1 1079829698 VWQJMEHGNUGCKN-UHFFFAOYSA-N 304.354 -0.608 30 20 DBED C=C[C@@](C)(CCOC)C(=O)N(CC)C1CN(C(=O)C(N)=O)C1 1080154967 BQXJJDMZMIWWHU-HNNXBMFYSA-N 311.382 -0.240 30 20 DBED C#CCN1CCC(C(=O)N[C@@H]2CN(CC(N)=O)C[C@H]2C)CC1 1080998057 QUHMJDUKFVTKDS-TZMCWYRMSA-N 306.410 -0.747 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)CC(=O)NCC)C[C@H]1O 1081335430 LEKPPUPEFBLBBL-VXGBXAGGSA-N 311.382 -0.586 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2cnc(C)[nH]2)C1 1081345819 AMDKHROJSNEKIQ-DGCLKSJQSA-N 322.365 -0.530 30 20 DBED C#CCCCCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CC(N)=O)C1 1081361041 XWWHFJHEUYVDDV-QWHCGFSZSA-N 323.393 -0.619 30 20 DBED CCOCCC(=O)N1C[C@H](CNC(=O)C#CC2CC2)[C@@H](O)C1 1081471531 OZVSKJRFESKTED-KBPBESRZSA-N 308.378 -0.238 30 20 DBED CN(C)CCC(=O)N1C[C@H](CNC(=O)C#CC(C)(C)C)[C@@H](O)C1 1081476775 KZILTTPUBBSJIQ-KBPBESRZSA-N 323.437 -0.077 30 20 DBED C#CCOCCC(=O)NC[C@H]1CN(C(=O)C2CC=CC2)C[C@H]1O 1081488119 DFXRDMHVTFHVCE-LSDHHAIUSA-N 320.389 -0.072 30 20 DBED C=CC(C)(C)CC(=O)NC[C@@H]1CN(C(=O)c2cnn[nH]2)C[C@H]1O 1081514206 PSNPMSJIIVTYSC-ZYHUDNBSSA-N 321.381 -0.044 30 20 DBED C#CCCCCC(=O)N1C[C@H](CNC(=O)c2nc[nH]n2)[C@@H](O)C1 1081652433 AVSAJKCKXCFIDK-RYUDHWBXSA-N 319.365 -0.453 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CCO[C@@H]2CN(CCO)C[C@@H]21 1083085426 QKVPRMYKCJHBML-CBBWQLFWSA-N 310.394 -0.129 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cnc(C)nc1OC 1083100758 YGAHJINGNUOUFS-UONOGXRCSA-N 316.361 -0.048 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)c2ccc3nnnn3c2)C1 1083640077 YRQVWIJYVFEUPF-MNOVXSKESA-N 322.756 -0.348 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)c2cc(C)c(C(N)=O)cn2)C1 1083792457 QTPVAYLVZQPAEB-KGLIPLIRSA-N 318.377 -0.160 30 20 DBED Cn1cc(C(=O)N2C[C@H]3CCN(CC#N)C[C@H]32)c(O)nc1=O 1084828686 VBGQOSJPYMSYIS-MWLCHTKSSA-N 303.322 -0.844 30 20 DBED CN(C[C@@H]1CCN1CC#N)C(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 1085593288 GIGRCPRAWHXSNK-RYUDHWBXSA-N 316.365 -0.181 30 20 DBED CN(C[C@H]1CCN1CC#N)C(=O)C1CC2(C1)CS(=O)(=O)C2 1085669926 KBVSOFAEQWQYCT-GFCCVEGCSA-N 311.407 -0.133 30 20 DBED C#Cc1ccc(C(=O)N(C)C[C@@H]2CCN2CC(=O)NC)cn1 1085932476 AMXNTSLRBXHLBM-AWEZNQCLSA-N 300.362 -0.045 30 20 DBED N#CCN[C@H]1C[C@H](CNC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 1086437847 QRRINSWAHNTGQQ-NHCYSSNCSA-N 302.338 -0.627 30 20 DBED N#CCN1CC[C@H](NC(=O)c2cnn3ncccc23)[C@@H](O)C1 1090331980 PKFHWANCUDOCLJ-AAEUAGOBSA-N 300.322 -0.582 30 20 DBED C=CCCN1CC[C@H](NC(=O)Cn2nc(C)ccc2=O)[C@H](O)C1 1090750126 ZWKQYRVGVDQOAB-UONOGXRCSA-N 320.393 -0.321 30 20 DBED C=CCN1CC[C@H](NC(=O)C2CCN(C(N)=O)CC2)[C@@H](O)C1 1090797253 WHIDLAIUPPVHEF-STQMWFEESA-N 310.398 -0.486 30 20 DBED C#CCN1CC[C@@H](NC(=O)Cc2nc(C3CC3)nn2C)[C@@H](O)C1 1090823720 LNSKRZXXGYRGGB-OLZOCXBDSA-N 317.393 -0.580 30 20 DBED CC(C)(O)CC(=O)N[C@@H]1CN(c2ncc(C#N)cc2F)C[C@@H]1O 1091099710 TXWAHPCHBZQVLJ-NEPJUHHUSA-N 322.340 -0.081 30 20 DBED CO[C@H](C(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O)C(C)C 1091179436 TVYMSLFXTOFCLM-DYEKYZERSA-N 319.365 -0.315 30 20 DBED N#Cc1ccc(N[C@H]2C[C@H](CNC(=O)C3(C(N)=O)CC3)C2)nn1 1091505806 GBHVMVZAOSIGAQ-HOMQSWHASA-N 314.349 -0.080 30 20 DBED C#CCN1CC(n2cc(CNC(=O)[C@H]3CCCOC3)nn2)C1 1094278172 AWSGQYNCQHBJNF-LBPRGKRZSA-N 303.366 -0.189 30 20 DBED C[C@@H](CC(=O)NCCCNc1ccc(C#N)nn1)NC(N)=O 1094593653 HEZHWMZJJKNSOG-VIFPVBQESA-N 305.342 -0.287 30 20 DBED CS[C@H](C)C(=O)N1CCN(CC#N)[C@H]2CS(=O)(=O)C[C@H]21 1094608907 NZIVNNWOIPUQOI-OUAUKWLOSA-N 317.436 -0.429 30 20 DBED C#CCCN1CCN(C(=O)c2ccon2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094609654 FDVFIGFGPDRGHI-QWHCGFSZSA-N 323.374 -0.379 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)c3cncnc3C)CC2=O)C1 1094705263 JJSGKHMJHDSJBI-LBPRGKRZSA-N 313.361 -0.567 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)[C@H]3CCC(=O)N3C)CC2=O)C1 1094778177 LBOCLXQFSPTZJK-WCQYABFASA-N 320.393 -0.806 30 20 DBED CC(=O)N[C@H](C)C(=O)N[C@H]1CCCN(c2cnc(C#N)cn2)C1 1096134404 IROOJMZZXHRFLB-PWSUYJOCSA-N 316.365 -0.042 30 20 DBED CNC(=O)CC(=O)N1[C@H]2CC[C@H]1CN(c1ccc(C#N)nn1)C2 1096890018 UNJUIVXYNHAUTM-RYUDHWBXSA-N 314.349 -0.336 30 20 DBED COC(=O)NCC(=O)N1CC[C@H](Nc2cnc(C#N)cn2)C1 1096919995 JQAZXWMECIGNSB-VIFPVBQESA-N 304.310 -0.283 30 20 DBED CC(=O)N(C)CC(=O)N[C@H]1C[C@H](Nc2ccc(C#N)nn2)C1 1096992891 GXDGFFAGQWMXBR-HAQNSBGRSA-N 302.338 -0.114 30 20 DBED C=CCCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cn1cnc(C(N)=O)n1 1097105637 GYSWGICMDHJKJQ-UTUOFQBUSA-N 318.381 -0.325 30 20 DBED Cc1cc(=N[C@@H](C)CNC(=O)[C@H]2CCC(=O)N2)c(C#N)c[nH]1 1097721676 MOGBJYIBJRKUEE-CMPLNLGQSA-N 301.350 -0.121 30 20 DBED CC(C)C[C@H](C(N)=O)C(=O)NC[C@@H](C)N=c1cc[nH]c(C#N)n1 1097935498 ZDQSVFDNXKSPRF-GHMZBOCLSA-N 318.381 -0.166 30 20 DBED C[C@@H](CNC(=O)CC1CS(=O)(=O)C1)Nc1cncc(C#N)n1 1098124221 RPLZFFHTYZQEGB-VIFPVBQESA-N 323.378 -0.300 30 20 DBED C#CCCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cn1c(O)nnc1O 1098287450 BZBBOMUNJNZIJC-MXWKQRLJSA-N 305.338 -0.566 30 20 DBED C#CCCCC(=O)N1CCC(N(CCO)CC(=O)NC)CC1 1098356644 MYHHJACXUUYXPJ-UHFFFAOYSA-N 309.410 -0.179 30 20 DBED C[C@@H](CCNC(=O)[C@H]1COCCN1C)Nc1ccc(C#N)nn1 1099022696 XDWSDGBEERDCNI-WCQYABFASA-N 318.381 -0.014 30 20 DBED C#CCOCCC(=O)NCC[C@@H](C)Nc1ccc2nnnn2n1 1099515649 FMHYULAOKFPJPU-LLVKDONJSA-N 317.353 -0.134 30 20 DBED CN(C)C(=O)CN1CC[C@H](NC(=O)C#CC(C)(C)C)[C@H](O)C1 1099829910 JUCSQZYYFGGWQY-QWHCGFSZSA-N 309.410 -0.325 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)Cc2cnc[nH]2)[C@H](O)C1 1100018013 OCUWPIGSBKDLLS-ZIAGYGMSSA-N 306.366 -0.847 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CCN2CCOCC2)[C@H](O)C1 1100036942 PZEPRCTVTSFKAM-HUUCEWRRSA-N 309.410 -0.717 30 20 DBED C#CCN1CC[C@H](NC(=O)CS(=O)(=O)CCCC)[C@H](O)C1 1100129874 UJDYDSFWJGJYSR-QWHCGFSZSA-N 316.423 -0.614 30 20 DBED C=CCCN1CC[C@H](NC(=O)CCc2cn(C)nn2)[C@H](O)C1 1100147020 BDKYUWDAPOTGKN-UONOGXRCSA-N 307.398 -0.125 30 20 DBED N#CCNC(=O)CNC1CC(CNC(=O)CCOCC2CC2)C1 1100327808 YWHPIAARSXLEOJ-UHFFFAOYSA-N 322.409 -0.073 30 20 DBED CCN(CCNC(=O)CNC(=O)NC)c1ccc(C#N)nc1 1100750158 JIUWAYSRQMDFDP-UHFFFAOYSA-N 304.354 -0.175 30 20 DBED CCCN(CCNC(=O)Cn1cnnn1)c1ccc(C#N)nn1 1101083905 ZSZDKWAUYWDNGY-UHFFFAOYSA-N 315.341 -0.632 30 20 DBED CN(CCNc1nccnc1C#N)C(=O)[C@H]1CCN(C)C1=O 1101908022 ZCHNTGXMZFLUEI-JTQLQIEISA-N 302.338 -0.303 30 20 DBED C[C@](CNc1nccnc1C#N)(NC(=O)CNC(N)=O)C1CC1 1103481090 FHUYMDJMRHJMPK-CQSZACIVSA-N 317.353 -0.287 30 20 DBED C#CCNCc1cn(C2CN(C(=O)C[C@H]3COC(=O)C3)C2)nn1 1105210912 CKTFUVMNMLICMP-LLVKDONJSA-N 317.349 -0.663 30 20 DBED C=CCNCc1cn(C2CN(C(=O)[C@@H]3CC(=O)N(C)C3)C2)nn1 1105256536 IHAFABYWRONYIY-LLVKDONJSA-N 318.381 -0.585 30 20 DBED CN(CCN(C)c1nccnc1C#N)C(=O)c1cc(=O)n(C)o1 1105381858 RTMGRRQQROUVQK-UHFFFAOYSA-N 316.321 -0.152 30 20 DBED C#CCCCCC(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1 1105830975 STHNYNVKRFSTML-LBPRGKRZSA-N 301.350 -0.147 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)[C@@H]2COCCO2)C[C@H]1C 1105843878 MYUMVBZFZCIJSL-KFWWJZLASA-N 310.394 -0.264 30 20 DBED COCCOCCC(=O)NC[C@H](O)CNc1cncc(C#N)n1 1105881317 XQMZHWPSKNSNIV-GFCCVEGCSA-N 323.353 -0.710 30 20 DBED C[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1CNCCS(C)(=O)=O 1105945595 BMQGDWURFYDZJI-IJLUTSLNSA-N 301.412 -0.125 30 20 DBED CCNC(=O)NC(=O)CNC[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1C 1105946173 MYOIHQFENRQMFU-IJLUTSLNSA-N 323.397 -0.324 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)c2cccnn2)C[C@H]1C 1106791142 YZUIZTGREXIYNW-CHWSQXEVSA-N 315.377 -0.476 30 20 DBED N#Cc1ccc(NC/C=C/CNC(=O)[C@H]2CCC(=O)N2)nn1 1107115334 IHGKQEYPXPAGSH-FMBMQGQPSA-N 300.322 -0.289 30 20 DBED C[C@@H](CC(N)=O)C(=O)NC/C=C/CNc1ccc(C#N)nn1 1107451499 LNSWHKOSPYKJAR-PBKGFPTLSA-N 302.338 -0.056 30 20 DBED N#Cc1ccc(NC/C=C\CNC(=O)[C@H]2CNC(=O)N2)nn1 1107489370 DBTOYBSWUSROGF-JWXWKVPASA-N 301.310 -0.886 30 20 DBED C[C@H](CNc1cnc(C#N)cn1)NC(=O)c1ccc(=O)n(C)n1 1107752649 GKRFLDZDMLYHRJ-SECBINFHSA-N 313.321 -0.328 30 20 DBED C#CCNC(=O)CN1CCO[C@@](C)(CNC(=O)[C@H](F)CC)C1 1108124876 UIWGSBQFODRZAU-DOMZBBRYSA-N 313.373 -0.309 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)CNC(=O)C2CCC2)C1 1108420230 YJLOPMMBIKPQOK-MRXNPFEDSA-N 307.394 -0.257 30 20 DBED C=C[C@](C)(CC)C(=O)N[C@H]1CC(=O)N(C2CN(CCO)C2)C1 1108569051 BGCAHFXYAFPCRT-BLLLJJGKSA-N 309.410 -0.018 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)CCCCC(N)=O)CC2=O)C1 1108584253 CPRIPZBUBUEZSO-GFCCVEGCSA-N 320.393 -0.933 30 20 DBED C[C@@H](CN=c1cc[nH]cc1C#N)NC(=O)c1cc(=O)n(C)cn1 1108760800 IXLPZKLLVXUKDL-JTQLQIEISA-N 312.333 -0.301 30 20 DBED Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCC#N)n[nH]1 1108993744 NDRRJJDJGBAPCB-MDZLAQPJSA-N 316.365 -0.307 30 20 DBED CC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CNS(=O)(=O)CC 1109363988 HZOZJLKILXJAGU-AGIUHOORSA-N 313.423 -0.330 30 20 DBED N#Cc1cnc(NC[C@H](NC(=O)Cn2ncnn2)C2CC2)cn1 1109916955 CMBNNYIQBFGVJU-NSHDSACASA-N 313.325 -0.658 30 20 DBED C=CCN1CC[C@H](N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)CC(N)=O)C1=O 1110415063 UVBLOICBEONZJC-NDBYEHHHSA-N 320.393 -0.630 30 20 DBED C[C@H]1C[C@H](NC(=O)CC(N)=O)CCN1c1ccc(C#N)nn1 1112459258 GOMSHCDINHWZSQ-VHSXEESVSA-N 302.338 -0.303 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N1CCN(C(=O)[C@@H](C)C#N)CC1 1112718060 DTQWVOVGEGMYKH-NWDGAFQWSA-N 321.381 -0.309 30 20 DBED C#CCOCCC(=O)N1CCN(Cc2ncnn2CC)CC1 1112843015 KKRFOCRROPDIDY-UHFFFAOYSA-N 305.382 -0.018 30 20 DBED C[C@H](CNC(=O)[C@H]1CCC(=O)N1C)N(C)c1cncc(C#N)n1 1113830250 MKLIQXLFNNNUFQ-ZYHUDNBSSA-N 316.365 -0.090 30 20 DBED C=CCNC(=O)NC(=O)CN1C[C@H]2C(NC(=O)[C@@H](C)OC)[C@@H]2C1 1113952592 HANALOIIFJUJQP-GMTAPVOTSA-N 324.381 -0.921 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)c3cnc(C)[nH]3)[C@@H]2C1 1114037652 GTZIDBZMSAMGJS-GHMZBOCLSA-N 303.366 -0.320 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)C[C@@H]3COC(=O)C3)[C@@H]2C1 1114138711 GQIXCKYCNNDEFU-YNEHKIRRSA-N 306.362 -0.364 30 20 DBED Cc1ccnc(C(=O)NC2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]23)n1 1114189234 LDSAZKCWZBJKRO-GHMZBOCLSA-N 314.349 -0.915 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@H]1[C@@H]2CN(CC(=O)N3CCCC3)C[C@@H]21 1114189384 NXZXDXTXIGPESD-IXKJSCDLSA-N 321.421 -0.018 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)CC3(O)CCC3)[C@H]2C1 1114249807 JJOKPFPINQLRAN-CXTNEJHOSA-N 319.405 -0.524 30 20 DBED COCC#CCN1C[C@@H]2C(NC(=O)c3[nH]c(O)nc3C)[C@H]2C1 1114437322 YPGUBCFMTZRCBX-QWRGUYRKSA-N 304.350 -0.266 30 20 DBED Cc1nsc(N2C[C@H]3[C@H](CNC(=O)C(N)=O)[C@H]3C2)c1C#N 1114620584 SRNZRDJZXYUUHN-OWUUHHOZSA-N 305.363 -0.393 30 20 DBED C[C@@H](CCCNc1ccc(C#N)nn1)NC(=O)[C@H]1CNC(=O)N1 1115062499 UPYJBGHEDMJKEB-GXSJLCMTSA-N 317.353 -0.274 30 20 DBED N#Cc1cnc(NCCCOCCNC(=O)CC(N)=O)cn1 1115395775 QNZHQAIIGNBPPK-UHFFFAOYSA-N 306.326 -0.842 30 20 DBED C=CCS(=O)(=O)CCNC(=O)[C@@H]1CCCN(C(N)=O)C1 1116536691 GHEHTQMAZYWLOO-SNVBAGLBSA-N 303.384 -0.506 30 20 DBED C=CCCC[C@@H](C)NC(=O)C(=O)NCCN1C(=O)CNC1=O 1117387206 CRSXTQRDMVCXRA-SNVBAGLBSA-N 310.354 -0.485 30 20 DBED CN1CCN(C)[C@@H](CNC(=O)C(=O)N2CCC[C@H](C#N)C2)C1 1119692945 RSYGTIONMNMJBV-OLZOCXBDSA-N 307.398 -0.889 30 20 DBED Cc1nnsc1C(=O)NC[C@@H](CO)Nc1cncc(C#N)n1 1121054906 HNBSXPPBNFSSHD-VIFPVBQESA-N 319.350 -0.289 30 20 DBED CCNC(=O)CCC(=O)NC[C@H](CO)Nc1ccc(C#N)nc1 1121206054 UFVMMDWDUQAZAR-CYBMUJFWSA-N 319.365 -0.241 30 20 DBED C[C@@H](C(=O)NC[C@H](CO)Nc1cncc(C#N)n1)n1cncn1 1121345861 HHMQHDSEMCLMGG-GXSJLCMTSA-N 316.325 -0.910 30 20 DBED N#Cc1nccnc1N[C@@H](CO)CNC(=O)CC1OCCCO1 1121359152 DZKYXIBGLBWDOU-SNVBAGLBSA-N 321.337 -0.610 30 20 DBED C[C@@]1(C(=O)NC[C@@H](CO)Nc2ccc(C#N)cn2)CNC(=O)C1 1122254344 JXTFTOUNFXSQOJ-NHYWBVRUSA-N 317.349 -0.632 30 20 DBED Cc1ccn(CC(=O)NC[C@@H](CO)N=c2cc[nH]cc2C#N)n1 1122593445 NSRPYPPLAMJUPI-ZDUSSCGKSA-N 314.349 -0.531 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CCCO1 1123159827 YRYKGRHTYVQTTI-MNOVXSKESA-N 312.370 -0.729 30 20 DBED C=C(Br)CNCCNC(=O)[C@H]1COCCN1C 1125957019 RUNIWLGJWQAWJA-SNVBAGLBSA-N 306.204 -0.069 30 20 DBED C#CCCCC(=O)NCCN[C@@H](C)C(=O)NC(=O)NC1CC1 1126356519 PCJRALIDMQOXDZ-NSHDSACASA-N 308.382 -0.128 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCNCC(=O)N1CCO[C@@H](C)C1 1126379031 WCCCVBLWKZCXOA-SWLSCSKDSA-N 313.398 -0.733 30 20 DBED COc1ccc(CNCCNC(=O)[C@@H]2COC(=O)N2)cc1C#N 1126548555 OMWUKMZPFLLVSD-LBPRGKRZSA-N 318.333 -0.119 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@H](n2ccnn2)[C@H](NCC#N)C1 1129837264 ABRAKLNOTNSDAV-XQQFMLRXSA-N 302.338 -0.819 30 20 DBED CC(C)CN1CCC[C@H]1C(=O)NCCNCC(=O)NCC#N 1130710803 FOJWWDVWZCOIBU-ZDUSSCGKSA-N 309.414 -0.548 30 20 DBED C#CCN1CCOC[C@H]1c1n[nH]c(CNC(=O)CCOCC)n1 1130831685 MRHRSXVKSGSPSN-LBPRGKRZSA-N 321.381 -0.146 30 20 DBED C=CCOCCNCCNC(=O)[C@H]1CN2CC3CC2(CO1)C3 1131519967 PFGVTJQNXOSGKC-NPCAHTBFSA-N 309.410 -0.242 30 20 DBED C#CCN1CC[C@]2(C1)CN(C(=O)CC(=O)N(C)C)C[C@@H](C)O2 1131691825 AKSIRMBPOWGHPB-CJNGLKHVSA-N 307.394 -0.210 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)CCn1nc(C)cc1C 1132073070 BCXNUZDGTMNDFR-AWEZNQCLSA-N 319.409 -0.266 30 20 DBED C[C@@H]1CC[C@@H](NC(=O)CCCn2c(O)nnc2O)CN1CC#N 1132140412 IHGPVSIRMADXDN-GHMZBOCLSA-N 322.369 -0.038 30 20 DBED C=CCNC(=O)CN1C[C@H](NC(=O)C2(C(N)=O)CC2)CC[C@@H]1C 1132253401 TZHCSXKXCLHMEK-NWDGAFQWSA-N 322.409 -0.477 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)c1c(C)cnn1C 1132548791 UNOATWHRJLZCKN-UHFFFAOYSA-N 322.369 -0.940 30 20 DBED C#CCCNC[C@H]1CN(C(=O)Cn2c(O)nnc2O)CC[C@@H]1C 1133271915 VLHSPGNPDHWRCU-RYUDHWBXSA-N 321.381 -0.213 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1ncn(C(C)(C)C)n1 1133813462 WDCYZDSWVSVEJA-LLVKDONJSA-N 320.397 -0.510 30 20 DBED N#CCNC(=O)CNCCNC(=O)C1(CF)CCOCC1 1133860216 WVJFZTWYJFROSU-UHFFFAOYSA-N 300.334 -0.902 30 20 DBED C[C@@H](C[C@H](C)NC(=O)c1coc(S(N)(=O)=O)c1)NCC#N 1134774086 UYZRJCGQEMLZAP-IUCAKERBSA-N 314.367 -0.063 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)[C@H]1C[C@H]1OCC)C2 1147056316 FHQPMUZNSDRZAD-UONOGXRCSA-N 319.405 -0.305 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@H](CC(C)C)NC(C)=O 1148477985 NLBCJIHBNLPQPX-JSGCOSHPSA-N 324.425 -0.619 30 20 DBED CC#CCN1CCCO[C@@H](CNC(=O)CCN2CCOCC2)C1 1150461802 ISHOACGLLCILDW-INIZCTEOSA-N 323.437 -0.061 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H](C)N(CC)Cc1cnon1 1152855228 YTBWINPCHQHIPQ-LLVKDONJSA-N 307.354 -0.464 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)[C@]1(C)CCOC1 1156036239 OKWARATVQWKLJI-CZUORRHYSA-N 309.410 -0.011 30 20 DBED C=CCOCCCC(=O)NCCCNCC(=O)NC(N)=O 1156160260 PFCJANGGXRPSNU-UHFFFAOYSA-N 300.359 -0.740 30 20 DBED CN1CCN(CC(=O)NCCC2=CCN(CC#N)CC2)CC1=O 1160550722 CQRCBJABYOJMOY-UHFFFAOYSA-N 319.409 -0.578 30 20 DBED N#CCNC(=O)CNCCCNC(=O)[C@@H]1CCc2cccnc21 1165238208 ZUZMYNAISMQQDO-CYBMUJFWSA-N 315.377 -0.153 30 20 DBED COCC#CCNCCCNC(=O)[C@@]1(C)CCN(C(C)=O)C1 1170442651 YRKNPGDGHRCNIC-INIZCTEOSA-N 309.410 -0.009 30 20 DBED C#CCNC(=O)CNC[C@H]1C[C@H]2CC[C@H]1N(C(=O)COC)C2 1177555891 RULDVZQXLTVNAY-MGPQQGTHSA-N 307.394 -0.401 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2cncnc2C)C1 1181207496 HNRQACDVDLZLMI-QWHCGFSZSA-N 315.377 -0.273 30 20 DBED Cc1cncc(C(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)c1 1181811430 CRKHMEONKDLYFL-CYBMUJFWSA-N 301.350 -0.166 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)CO[C@H]2CCOC2)C1 1182514526 SIVBFSSGCPCWRY-OLZOCXBDSA-N 311.382 -0.715 30 20 DBED C#CCCN[C@@H]1CCN(C(=O)CCc2nnc(O)nc2O)C1 1183903191 PVKBPFXWEARKHZ-SNVBAGLBSA-N 305.338 -0.571 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2ccnc(OC)n2)C1 1184148145 PYBRMUKUQAOEFS-LLVKDONJSA-N 317.349 -0.961 30 20 DBED C[C@@H]1CN(C(=O)CCNS(C)(=O)=O)CC[C@@H]1CNCC#N 1184525445 WPGQIPIPZVJVHH-VXGBXAGGSA-N 316.427 -0.477 30 20 DBED C[C@@H]1CN(C(=O)CN2CCC(=O)NC2=O)CC[C@H]1CNCC#N 1185446335 LUQVIRSQVLVXAK-NEPJUHHUSA-N 321.381 -0.474 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)c2cccc(=O)n2C)C1 1185577369 YQAJULQPFHOTMY-CYBMUJFWSA-N 303.362 -0.161 30 20 DBED C=CCNC(=O)NC(=O)CN(C)[C@@H]1CCN(C(=O)C(F)F)C1 1188520753 XIYXWBBUKRNKOH-SECBINFHSA-N 318.324 -0.204 30 20 DBED C=CCNC(=O)[C@@H](C)N(C)[C@@H]1CCN(C(=O)CC(=O)NCC)C1 1189787666 PPDRTAPRZXQTQO-CHWSQXEVSA-N 324.425 -0.264 30 20 DBED COCCC1(C(=O)N2CC[C@H](N(C)CC(=O)NCC#N)C2)CC1 1190576626 VBRPDKVMQRVIGC-ZDUSSCGKSA-N 322.409 -0.024 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2csnn2)C1 1191585638 GILYGSIAKJDKNZ-SNVBAGLBSA-N 307.379 -0.566 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(Cc2noc(CC)n2)C[C@H]1O 1191806806 FALGNWWIGUSRAM-GHMZBOCLSA-N 310.354 -0.504 30 20 DBED C#CCC1(C(=O)N[C@@H]2CN([C@@H]3CCNC3=O)C[C@H]2O)CCC1 1193686329 YWTCDMNSQGJZKG-JHJVBQTASA-N 305.378 -0.770 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C[C@@H](C)COC)C1 1197359695 VVLXGNAIHMGDFO-JHJVBQTASA-N 313.398 -0.878 30 20 DBED N#CCNC(=O)CNC1CCN(C(=O)c2ccncc2)CC1 1199084752 UZGUOPULHIFSJD-UHFFFAOYSA-N 301.350 -0.084 30 20 DBED Cc1ccn(CC(=O)N2CCCO[C@@H](CNCC#N)C2)c(=O)c1 1201524385 IMGTYSVTACHLNU-AWEZNQCLSA-N 318.377 -0.113 30 20 DBED N#CCNC(=O)CN[C@H]1C[C@@H](NC(=O)c2cc[nH]n2)C12CCC2 1202472870 YQQYRGYYDUADNX-NWDGAFQWSA-N 316.365 -0.320 30 20 DBED CNC(=O)C1(C(=O)N2CCC(NCC#CCOC)CC2)CC1 1202919341 RCUBTLGCLMNCLZ-UHFFFAOYSA-N 307.394 -0.257 30 20 DBED C[C@@H](C(=O)N1CCC[C@@H](NCC(=O)NCC#N)C1)n1cncn1 1207828701 GIJUCTIJNAJGIL-NWDGAFQWSA-N 319.369 -0.941 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCC[C@H](NCc2nc(=O)n(C)[nH]2)C1 1207950261 JCRKKHCEGVOJJW-NHYWBVRUSA-N 323.397 -0.484 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)CCCCc1cnn[nH]1 1213217465 WAVOEWHJFGZWDI-CHWSQXEVSA-N 306.370 -0.144 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1CN(CC(=O)NCC2CC2)C[C@@H]1O 1220141083 IERNCNMLUUUJQV-OLZOCXBDSA-N 309.410 -0.114 30 20 DBED COCC#CCN1CC[C@@H]2CN(C(=O)[C@]3(C)CCC(=O)N3)[C@@H]2C1 1221795334 VPYVQQODJCMVQS-CPUCHLNUSA-N 319.405 -0.162 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCCC[C@H]1NC(=O)CNC(C)=O 1224546844 LNUPNLUGKMSHSM-MRVWCRGKSA-N 322.409 -0.723 30 20 DBED CN(C)[C@H](Cn1cccn1)C(=O)NC1CCN(CC#N)CC1 1227798232 UMMJUMOMZQXWND-CQSZACIVSA-N 304.398 -0.083 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@@H]1CN(C)C(=O)COCC=C 1231246127 CZCXXPYIDVGIPV-UONOGXRCSA-N 307.394 -0.140 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)c1c(C)ncn1C 1235566972 DYQVMKUWJFISHI-CYBMUJFWSA-N 317.393 -0.376 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N[C@@H]2CCC[C@H]2CCO)nn1 1261448604 ZVARVPKEQHNGNN-WCQYABFASA-N 321.381 -0.252 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)NC[C@]1(C)CCC(=O)N1 1261717893 UMDZBBZDYMOXDI-HNNXBMFYSA-N 309.366 -0.730 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CCC(OC)CC2)nn1 1262245588 DISKRNNVFXYNJF-UHFFFAOYSA-N 307.354 -0.282 30 20 DBED C#C[C@H](C)N(C)C(=O)C(=O)Nc1cccc(OCC(N)=O)c1 1321009290 YYVBSEJVDGCKPS-JTQLQIEISA-N 303.318 -0.031 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)OC(C)C)C1=O 1322292288 RPDPEHAUTSSVLY-UHFFFAOYSA-N 312.278 -0.542 30 20 DBED C#CCNS(=O)(=O)N1CCN(CC(=O)OC(C)C)CC1 1323084374 AMUDEUQYLLLTNI-UHFFFAOYSA-N 303.384 -0.977 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CCN(CC)C(=O)[C@@H]1CC 1323516987 FIOPQFJCBUTTQS-NEPJUHHUSA-N 311.382 -0.227 30 20 DBED N#CCC1CCN(C(=O)C(=O)NC[C@H]2CC[C@H](C(N)=O)O2)CC1 1323584056 GTGJNINYSJJLDT-VXGBXAGGSA-N 322.365 -0.712 30 20 DBED C#CCn1cc(CNC(=O)[C@@H](NC(=O)C2CC2)[C@@H](C)O)cn1 1328677309 YWVOIGANQSOQEH-MFKMUULPSA-N 304.350 -0.592 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N1CCN(CCC#N)CC1 1329366778 WJOHWPPDVOZENH-UHFFFAOYSA-N 300.362 -0.471 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N[C@@H]1CC(=O)N(C(C)C)C1 1331207430 KHJFLVOBKZEZLP-CHWSQXEVSA-N 323.393 -0.344 30 20 DBED C#CCN1CCN(c2nnc(CS(C)(=O)=O)n2CC=C)CC1 1340555286 MUJODZCPECOYKP-UHFFFAOYSA-N 323.422 -0.236 30 20 DBED C#C[C@H](NCC(=O)N[C@H]1CCS(=O)(=O)C1)[C@H]1CCCO1 1342949430 LNKUCLSYHWMINH-SDDRHHMPSA-N 300.380 -0.940 30 20 DBED CNC[C@@H](C)CNC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1353046530 ADKYAXBJMZVUPC-YPMHNXCESA-N 307.398 -0.843 30 20 DBED C#CCOCCn1nnnc1N1CC[C@@H](N2CCOC2=O)C1 1355799898 GHFACAFHADFIHZ-LLVKDONJSA-N 306.326 -0.646 30 20 DBED COC1CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)CC1 1362085413 PTGCGQVUNNJHIB-UHFFFAOYSA-N 306.322 -0.152 30 20 DBED N#Cc1cn(CC(=O)NCc2ccc(O)cc2)c(=O)nc1O 1362127881 LKMXEDAMVWTJTP-UHFFFAOYSA-N 300.274 -0.157 30 20 DBED C=C(Cl)CNC[C@H](O)CNC(=O)[C@@H]1CCc2nncn2C1 1367627735 GRWVRBRDMDMWGB-MNOVXSKESA-N 313.789 -0.340 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)CCc1cnccn1 1376679791 WZLQBKFKRFFFKV-JQWIXIFHSA-N 305.338 -0.838 30 20 DBED C[C@@H](CNC(=O)Cc1nc2ncccn2n1)NC(=O)[C@@H](C)C#N 1377973387 UWZJHVOYNBVBEK-UWVGGRQHSA-N 315.337 -0.553 30 20 DBED C[C@@H](CN[C@@H](C)c1nnnn1C)NC(=O)c1cc(C#N)c[nH]1 1392552236 QGGULDGXWZPMCP-IUCAKERBSA-N 302.342 -0.121 30 20 DBED COC[C@@H](C)C(=O)N1CCN(CCNC(=O)[C@@H](C)C#N)CC1 1396888462 HECBPCKVWVJKNT-QWHCGFSZSA-N 310.398 -0.311 30 20 DBED CN(CCNC(=O)CN1CCOCC1)C(=O)c1cc(C#N)c[nH]1 1397896712 AZTKTBFVTZRCHA-UHFFFAOYSA-N 319.365 -0.593 30 20 DBED CCN(CCC#N)C(=O)CN1CC[C@H]1CNC(=O)c1cn[nH]c1 1406816536 BWBDOSQPVMHXNJ-ZDUSSCGKSA-N 318.381 -0.024 30 20 DBED CCCn1ncc(C(=O)NC[C@H](O)CNC(=O)[C@H](C)C#N)c1C 1410166238 NNGKLWBSGDQWBC-ZYHUDNBSSA-N 321.381 -0.032 30 20 DBED CN(CCS(N)(=O)=O)C(=O)[C@H](C#N)Cc1ccc(C#N)cc1 1413519810 JRBLRVCUHAWNCN-ZDUSSCGKSA-N 320.374 -0.013 30 20 DBED CC(=O)NCC(=O)N(C)C[C@@H]1CCN1C(=O)c1ccc(C#N)[nH]1 1414102385 BWAGEHXUQCDSIY-LBPRGKRZSA-N 317.349 -0.305 30 20 DBED COc1ccc(C(=O)NC[C@@H](O)CNC(=O)[C@@H](C)C#N)cn1 1416782519 ZQKRFLWJGQSXPQ-ONGXEEELSA-N 306.322 -0.543 30 20 DBED C[C@H](CN(C)C(=O)c1cnn[nH]1)NC(=O)c1cc(C#N)c[nH]1 1427618861 NPTHKUDEQZLUFV-MRVPVSSYSA-N 301.310 -0.105 30 20 DBED CC1(C)[C@@H](O)C[C@@H]1NC(=O)CCn1cc(C#N)c(O)nc1=O 1433917652 FQWLSDBICCDUOG-UWVGGRQHSA-N 306.322 -0.514 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CCN(C(=O)CCN2CCOCC2)C1 1454875815 LFXNCHSEZUGKNC-ZIAGYGMSSA-N 322.409 -0.167 30 20 DBED CN(Cc1nnc2n1CCNC2=O)C(=O)c1ccc(C#N)n1C 1455766390 SXHKDFMLBOAIEV-UHFFFAOYSA-N 313.321 -0.496 30 20 DBED CCn1nc(C)c(C(=O)N2CC(CNC(=O)[C@H](C)C#N)C2)n1 1456581451 FNZFTCLVISGSEX-SECBINFHSA-N 304.354 -0.046 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CCCN(Cc2nc(=O)n(C)[nH]2)C1 1481524638 LCTYLGIMKXPCCT-IAQYHMDHSA-N 323.397 -0.484 30 20 DBED C=C(Cl)CN1CC(O)(CNC(=O)c2ccc(=O)n(C)n2)C1 1484308977 IOEUMCWVJUMIRH-UHFFFAOYSA-N 312.757 -0.691 30 20 DBED C[C@@H](C#N)C(=O)NCCC1CCN(C(=O)[C@H]2COC(=O)N2)CC1 1499768854 BNELIKJCYGZBAC-CMPLNLGQSA-N 322.365 -0.001 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNc1ccc(-c2nn[nH]n2)nc1 1573576566 HNYCXXXDEFCTHH-WCBMZHEXSA-N 316.325 -0.690 30 20 DBED C[C@H](CN=c1cc[nH]c(-c2nn[nH]n2)n1)CNC(=O)[C@@H](C)C#N 1574836651 KAQDJRPLQNYBPP-BDAKNGLRSA-N 315.341 -0.598 30 20 DBED CN(c1[nH]c(=O)n(C)c(=O)c1-c1nn[nH]n1)[C@H]1CCC[C@H]1C#N 1579266058 BTCTYFOZEJQYLG-YUMQZZPRSA-N 316.325 -0.618 30 20 DBED N#Cc1nc(N2CC(N[C@@H]3CCOC3)C2)cnc1-c1nn[nH]n1 1581878450 MDPUICRMTHRREX-MRVPVSSYSA-N 313.325 -0.905 30 20 DBED C#CCC1(O)CCN(c2cnc(-c3nn[nH]n3)c(C#N)n2)CC1 1588335781 XRVCSVPGMZLJEB-UHFFFAOYSA-N 310.321 -0.117 30 20 DBED C#CCNCCCOCCNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 1588353743 DLXNLWPIPJPQKO-UHFFFAOYSA-N 317.353 -0.446 30 20 DBED C#CCN(CC(=O)O)C(=O)C(=O)Nc1ccc2ncnn2c1 1588395535 NTDOFTZNEPZMOQ-UHFFFAOYSA-N 301.262 -0.786 30 20 DBED C#CCN(CC(=O)O)C(=O)C(=O)Nc1cnc(N(C)C)nc1 1588397973 ZZSIXQHLOLGDHU-UHFFFAOYSA-N 305.294 -0.973 30 20 DBED C#CCN(CC(=O)O)C(=O)C1(S(C)(=O)=O)CCOCC1 1588399001 FHLIVXWRMJXCJW-UHFFFAOYSA-N 303.336 -0.873 30 20 DBED C=C(C)C[C@H](CO)NC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O 1588536924 VUUHOKZTNTZNDZ-LPEHRKFASA-N 301.343 -0.410 30 20 DBED C=C(C)CN(CC)C(=O)CN1CC(NC(=O)[C@H]2C[C@@H]2C(=O)O)C1 1588562838 IZJLSGMUZMDUNS-STQMWFEESA-N 323.393 -0.068 30 20 DBED N#Cc1ncc(N[C@@H]2CC[C@@H](O)[C@@H](O)C2)nc1-c1nn[nH]n1 1592709829 DUEJPWCDSPBZRI-VDAHYXPESA-N 302.298 -0.785 30 20 DBED O=S1(=O)CC[C@@H](NN=Cc2cccc(-c3nn[nH]n3)c2)C1 1593462941 BCNBZHGRNIYUOL-LLVKDONJSA-N 306.351 -0.023 30 20 DBED Cc1ccn(C[C@@](C)(O)C(=O)N(CC#N)CCC(=O)O)c(=O)c1 1600595111 FODDQZCZMDCDIK-OAHLLOKOSA-N 321.333 -0.265 30 20 DBED N#Cc1ccc(C(=O)NCCN=c2cc[nH]c(C(=O)O)n2)[nH]1 1601093046 ZMVMLGMNEPQEAZ-UHFFFAOYSA-N 300.278 -0.362 30 20 DBED C#CCCCC(=O)NC[C@@H](CO)N=c1cc[nH]c(C(=O)O)n1 1602701215 BQJLZBJSWPKFMG-JTQLQIEISA-N 306.322 -0.711 30 20 DBED C#CCCN1C[C@H]2[C@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)[C@H]2C1 1602712058 CMRQAEKTTJFAJD-PJXYFTJBSA-N 311.349 -0.122 30 20 DBED Cn1c(-c2ccc(C#N)[nH]2)nnc1N1CCO[C@H](C(N)=O)C1 1650491834 OHCHYFGWGZBVDR-JTQLQIEISA-N 301.310 -0.628 30 20 DBED CC#CCN1CCN(CCNC(=O)CCc2cn(C)nn2)CC1 1752382198 ZLYVPLWEIIRMAC-UHFFFAOYSA-N 318.425 -0.495 30 20 DBED C=CCNC(=O)[C@H](C)N[C@H]1C[C@H](NC(=O)c2n[nH]c(C)c2O)C1 1752626869 XZSHTPMAEQQAKJ-DCAQKATOSA-N 321.381 -0.035 30 20 DBED COCC#CCNC[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(C)C2)C1 1752798428 ABHYSEPMJMRXHN-CABCVRRESA-N 321.421 -0.057 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)CCNC(=O)C[C@@H]1CCCC(=O)N1 1753054231 GGZLAKBBNYBQOF-OLZOCXBDSA-N 322.409 -0.769 30 20 DBED C=CCNC(=O)[C@H](C)N(C)C[C@@H]1CCN(C(=O)CNC(C)=O)C1 1753346762 LRWDRPHOANQDPZ-JSGCOSHPSA-N 324.425 -0.407 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1CC(NC(=O)[C@H]2C[C@@H]2C)C1 1753384660 WFQCLWXSRATJRP-NHCYSSNCSA-N 308.382 -0.157 30 20 DBED C#CCNC(=O)CN1CC(CNC(=O)Cc2cc(C)on2)C1 1753398763 QBGTZKZWRPXHRS-UHFFFAOYSA-N 304.350 -0.677 30 20 DBED C=CCNC(=O)CN1CC(CNC(=O)Cc2cnc(C)o2)C1 1753404114 UGDBHTPPLFFNGS-UHFFFAOYSA-N 306.366 -0.124 30 20 DBED Cc1cc(CCC(=O)NCC2CN(CC(=O)NCC#N)C2)no1 1753409420 DQKSFQCTBXXAKS-UHFFFAOYSA-N 319.365 -0.397 30 20 DBED C#CCCNC[C@@H]1[C@@H](C)CCCN1C(=O)CN1CCNC(=O)C1 1753808932 HOLNUXYEQQTCRU-LSDHHAIUSA-N 320.437 -0.342 30 20 DBED C#CCN[C@@H](CNC(=O)c1cn(CC(=O)N(C)C)nn1)C(C)C 1753845076 GJBJKIHNEBWMOL-LBPRGKRZSA-N 320.397 -0.657 30 20 DBED C=CCNC(=O)NC(=O)CNC[C@H](C)NC(=O)c1conc1C 1754281205 BNLCBMIKFSZZAK-VIFPVBQESA-N 323.353 -0.297 30 20 DBED C#CCN(C(=O)[C@H]1CCN(C)C1=O)C1CCN(CCO)CC1 1754639463 JGIYPVCBDZVVKS-AWEZNQCLSA-N 307.394 -0.617 30 20 DBED CCC[C@H](CC)C(=O)NCC1(O)CN(CC(=O)NCC#N)C1 1754777611 VBIFINVQARSIFP-LBPRGKRZSA-N 310.398 -0.385 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@H]1CN(C(=O)C#CC2CC2)CCO1 1755002497 SCEQPQCWXDNRIR-HIFRSBDPSA-N 317.389 -0.645 30 20 DBED C#CCNCC1CC(NC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 1755214487 YJLVATFVCQNWAB-XIVSLSHWSA-N 301.350 -0.517 30 20 DBED C#CCNC(=O)CN[C@H](C)[C@H](C)NC(=O)c1ccnnc1C 1755242001 KDXRHQTWTFKHJJ-MNOVXSKESA-N 303.366 -0.369 30 20 DBED C=CCCN[C@@H](C)[C@H](C)NC(=O)c1c[nH]nc1S(N)(=O)=O 1755252090 DQONPPWHOZTIIH-IUCAKERBSA-N 315.399 -0.270 30 20 DBED CC#CCCCC(=O)NC[C@H](CO)N[C@H](C)c1nnnn1C 1755636694 LYBLSVLPEDCUIP-VXGBXAGGSA-N 308.386 -0.469 30 20 DBED C#CCCN[C@@H]1CN(C(=O)CCNC(=O)COC)CC1(C)C 1755757791 QTXPTVZZCSMJRU-CYBMUJFWSA-N 309.410 -0.011 30 20 DBED C#CCNC(=O)CN(C)C[C@H](O)CN(C)C(=O)c1ccccc1 1755798237 QYVKWLYULYEAJD-HNNXBMFYSA-N 317.389 -0.199 30 20 DBED C[C@H](C(=O)N[C@H](CO)CNC(=O)C#CC1CC1)c1cnn(C)c1 1756520034 SUTZBLQWOOHVEV-FZMZJTMJSA-N 318.377 -0.470 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@]2(CC)CCNC2=O)C1 1757009922 IORBUHAVPFUZLY-XHBSWPGZSA-N 323.393 -0.443 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(C(=O)C[C@@](C)(O)C=C)C[C@@H]1O 1757173699 GLYKGWNNLHAHPT-WWGRRREGSA-N 324.377 -0.959 30 20 DBED C=CCCOCC(=O)N1CC[C@H]1CN(C)C(=O)[C@H]1CNC(=O)N1 1757302847 ZCIHDBMLQYWXSL-NWDGAFQWSA-N 324.381 -0.680 30 20 DBED C#CCNC(=O)CNS(=O)(=O)c1cc(C)c(C(=O)O)s1 1776134751 ONVSZNDZHNLDSS-UHFFFAOYSA-N 316.360 -0.218 30 20 DBED CCC(=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1CC1)C2 1800475667 OGHKOPKRJPBPFS-YWVIFJGQSA-N 318.373 -0.032 30 20 DBED CC(C)(O)CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC(=O)O 1801986757 AZBGSHMJXIDXHX-ZSBIGDGJSA-N 322.361 -0.126 30 20 DBED N#CC1(NC(=O)CN2CCN(CC(N)=O)CC2)CCCCC1 54978621 RMOUCHSFYSIRDL-UHFFFAOYSA-N 307.398 -0.568 30 20 DBED CCN(CC#N)S(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1 68345505 RAWSTZUFLIDNNR-UHFFFAOYSA-N 308.319 -0.249 30 20 DBED N/C(CN1CCOCC1)=N\OCC(=O)NC(C1CC1)C1CC1 111182253 QSIIZFUXCOJGFJ-UHFFFAOYSA-N 310.398 -0.088 30 20 DBED CC(C)[C@@H](C#N)N1CCN(C(=O)CNC2(C(N)=O)CC2)CC1 183831176 PBHAXUCWERLETM-GFCCVEGCSA-N 307.398 -0.714 30 20 DBED C=CCN(CCOC)[C@@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O 191137366 CSGXZBMHKKOIKZ-JTQLQIEISA-N 324.381 -0.628 30 20 DBED C/N=C(/NC[C@H](O)C(F)(F)F)N[C@@H]1CCc2ncnn2C1 262765931 GARRXKDQXFIBNW-SFYZADRCSA-N 306.292 -0.319 30 20 DBED C#CCN(C(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)C1CC1 274018826 BKIBZVOYDWIMGX-AAEUAGOBSA-N 324.402 -0.354 30 20 DBED C=C(C)CS(=O)(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)OC 280481197 ALFHJRUZFAQKHY-SECBINFHSA-N 311.381 -0.836 30 20 DBED COCC[C@H](CO)NC(=O)C(=O)N1CCc2ccc(C#N)cc21 281648258 XEXWLFNNCDYOSK-CYBMUJFWSA-N 317.345 -0.039 30 20 DBED C#CCO[C@@H](C)C(=O)NCCS(=O)(=O)N1CCSCC1 294490825 DZHWALIYTCYXNF-NSHDSACASA-N 320.436 -0.481 30 20 DBED N#CCNS(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1 298486245 YZMUEPJPAPOVNN-UHFFFAOYSA-N 309.347 -0.039 30 20 DBED O=C1C[C@H](C/N=C(/O)N2CCN3C(O)=NC[C@@H]3C2)CN1C1CC1 329341387 OXTLZQMZHOVPBY-ZYHUDNBSSA-N 321.381 -0.175 30 20 DBED O=S1(=O)CC[C@H](N/C(O)=N/CCN2CCSCC2)C1 329435735 LQJSFRPWBCPOBP-JTQLQIEISA-N 307.441 -0.274 30 20 DBED Cc1ncc(S(=O)(=O)N2CCn3c(O)nnc3C2)cc1C#N 330183776 IDKSQNALMXRLAA-UHFFFAOYSA-N 320.334 -0.237 30 20 DBED C[C@@H](CCN1CCN(C)CC1)NS(=O)(=O)N(C)CCC#N 331025462 WCIFDLMLKVLTRL-ZDUSSCGKSA-N 317.459 -0.308 30 20 DBED CCN(/C(O)=N/[C@@H]1CC(=O)N(C)C1)[C@@H](C)CS(C)(=O)=O 331147552 SUFSMZNOWCVCNT-VHSXEESVSA-N 305.400 -0.114 30 20 DBED CN1CCC(N(C)S(=O)(=O)N2CCO[C@H](C#N)C2)CC1 336895953 NAXNHEHOKVXTKG-GFCCVEGCSA-N 302.400 -0.518 30 20 DBED COCCN(CCC#N)S(=O)(=O)N(C)CC(C)(CO)CO 336939108 HYGXJTNGGCVYQC-UHFFFAOYSA-N 323.415 -0.984 30 20 DBED CC1CCN(C[C@@H](O)CNC(=O)[C@@H](C)n2cnc(C#N)n2)CC1 336989881 KEUHIXOQQIYVFL-OLZOCXBDSA-N 320.397 -0.080 30 20 DBED COC(=O)[C@H]1COCCN1S(=O)(=O)N(C)C[C@@H](C)C#N 337081892 YWPXTZFZFZBYJS-VHSXEESVSA-N 305.356 -0.804 30 20 DBED CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)N(C)[C@H](C)CC#N 337798912 FRMKOEWFGVJTLH-MNOVXSKESA-N 323.440 -0.026 30 20 DBED CN(C)CCn1ccc(=NC(=O)CN=c2ccc(C#N)c[nH]2)[nH]1 345443193 XTGKMACPDYZJBD-UHFFFAOYSA-N 313.365 -0.394 30 20 DBED N#Cc1ncn(CCNC(=O)NCC(=O)Nc2cccnc2)n1 347607027 AVLISKGSUXFSFB-UHFFFAOYSA-N 314.309 -0.517 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N[C@@H]1CCN(C(C)C)C1=O 349227348 UWBQOJKAIZISOM-GFCCVEGCSA-N 311.382 -0.227 30 20 DBED CC(C)n1cc(C#N)c(NC(=O)C(=O)N(C)C2CC(O)C2)n1 353404541 FHUZGWGHGFTMQJ-UHFFFAOYSA-N 305.338 0.256 30 20 DBED C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CNC(=O)C2)cc1 353942672 HXYGTUJXPLGCJU-LLVKDONJSA-N 323.374 -0.231 30 20 DBED CN(C(=O)N1CCN(CC#N)CC1)[C@@H]1CCS(=O)(=O)C1 408018584 TZFFMATXWFJCDT-LLVKDONJSA-N 300.384 -0.634 30 20 DBED C[C@H](C(=O)N(C)C)S(=O)(=O)NCC1CCN(CC#N)CC1 447749769 DSPIFIQFNIKMEH-LLVKDONJSA-N 316.427 -0.382 30 20 DBED CC#CCN(C)S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 573463804 PGSLEIZXTBEIAD-UHFFFAOYSA-N 302.377 -0.022 30 20 DBED N#CCC1CCN([C@@H]2CC(=O)N(CCOCCO)C2=O)CC1 589542165 RYCMOZMLMDRMJS-CYBMUJFWSA-N 309.366 -0.252 30 20 DBED CNS(=O)(=O)CCN1CC[C@H](Oc2ccc(C#N)cn2)C1 598616467 BBDYDQRETMRWFV-LBPRGKRZSA-N 310.379 -0.044 30 20 DBED Cn1cc(C#N)c(NC(=O)NCCNC(=O)c2cc[nH]n2)n1 614182149 HNVLJFHBAZSJMI-UHFFFAOYSA-N 302.298 -0.434 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCS[C@H]2C)C1=O 648684535 BMXHVKNBAIWNNB-DTWKUNHWSA-N 311.363 -0.027 30 20 DBED C=CCn1c(COC)nnc1N1CCN(CC(=O)NCC)CC1 669808232 MIBUUBQBPDFATD-UHFFFAOYSA-N 322.413 -0.131 30 20 DBED C#CCC[C@@H](O)CNS(=O)(=O)N1CCC(C(=O)O)CC1 717920409 ONIHWRNRTBVITI-LLVKDONJSA-N 304.368 -0.608 30 20 DBED N#CCOc1cccc(NC(=O)C(=O)N2CCCNC(=O)C2)c1 726856165 BNUSKVSUSQULED-UHFFFAOYSA-N 316.317 -0.124 30 20 DBED CS(=O)(=O)Nc1cccc(C(=O)OCC(=O)NCC#N)c1 731234449 APNWRPIOBLFYNY-UHFFFAOYSA-N 311.319 -0.145 30 20 DBED N#C[C@@H]1CN(C(=O)COc2ccccc2-c2nn[nH]n2)CCO1 737678465 ILTOZMWKBMWIEH-SNVBAGLBSA-N 314.305 -0.004 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 753127654 NOTGSQDSPGWIBO-OLZOCXBDSA-N 313.423 -0.518 30 20 DBED C#C[C@H](NC(=O)C(=O)Nc1cc(OC)ncn1)[C@@H]1CCCO1 773792035 DTCWTTFFHQUHIB-UWVGGRQHSA-N 304.306 -0.279 30 20 DBED C#C[C@@H](C)NC(=O)Cn1c(=O)oc2cc(S(N)(=O)=O)ccc21 775375472 QMZQBESQBKHMDV-MRVPVSSYSA-N 323.330 -0.620 30 20 DBED COC[C@@H](NS(=O)(=O)c1ccc(C#N)cc1Cl)C(N)=O 779917678 RIBXVPGHHADXPR-SECBINFHSA-N 317.754 -0.010 30 20 DBED C#CCOCCNC(=O)NC1CCC2(CC1)NC(=O)NC2=O 805279881 RFZZUAXXMQVLBB-UHFFFAOYSA-N 308.338 -0.544 30 20 DBED COCCCNC(=O)[C@H](C)N1CCN(C(=O)C=NOC)CC1 809666227 RMKQAHZUSVKXSU-LBPRGKRZSA-N 314.386 -0.696 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)[C@@H]1CCc2nnn(C)c2C1 811344617 KOQGKOXKBIDKCC-SECBINFHSA-N 321.337 -0.525 30 20 DBED N#Cc1cc(S(N)(=O)=O)ccc1N1CCC(NCCO)CC1 811824181 LZRQCLAZJXDGBG-UHFFFAOYSA-N 324.406 -0.244 30 20 DBED CN([C@@H]1CC(C)(C)OC1=O)S(=O)(=O)N1CCO[C@@H](C#N)C1 813766764 AVIFULLBXSCBRN-VHSXEESVSA-N 317.367 -0.519 30 20 DBED C=C[C@H](O)C(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 816945373 DOXKJJUQQYKFMN-QMMMGPOBSA-N 316.301 -0.037 30 20 DBED C#CCCN(CCOC)C(=O)Nc1ncn(CC(=O)N(C)C)n1 821366320 HUKXWVOKHIHRSC-UHFFFAOYSA-N 322.369 -0.130 30 20 DBED CNS(=O)(=O)c1cccc(C(=O)N[C@H]2CNC[C@@H]2C#N)c1 834512649 ZSKWAESKBXRPBR-JQWIXIFHSA-N 308.363 -0.564 30 20 DBED C#CC[C@@H](NC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)C(=O)OC 837949019 AHXSEOIAERNHOO-NXEZZACHSA-N 318.395 -0.369 30 20 DBED C#CCOCCNC(=O)NC[C@@H](N1CCNCC1)C(F)(F)F 841874901 KMXAZFPKGYHMHD-LLVKDONJSA-N 322.331 -0.229 30 20 DBED C#CCNS(=O)(=O)N1CCN([C@H](C)c2nccc(N)n2)CC1 846837535 OLNZSLAIZDILQE-LLVKDONJSA-N 324.410 -0.795 30 20 DBED COC(=O)CNC(=O)CNC(=O)COc1cccc(C#N)c1 848012657 NQZBHMGKWXABRG-UHFFFAOYSA-N 305.290 -0.658 30 20 DBED C#C[C@H](C)NS(=O)(=O)CCCS(=O)(=O)NC1(C#N)CC1 848965427 OWTRQPRNYXDRJC-JTQLQIEISA-N 319.408 -0.707 30 20 DBED C#CC[C@H](CO)NC(=O)Cc1ccc(S(=O)(=O)N(C)C)cc1 854540659 AQSBWCXTJCSMMJ-CYBMUJFWSA-N 324.402 -0.020 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)Nc1cncnc1OC 862192039 JOZHQICMKKFMBA-SNVBAGLBSA-N 306.322 -0.032 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)CCC2(O)CCC2)CC1 865156489 KEHHOOSTBFTJAR-UHFFFAOYSA-N 307.394 -0.425 30 20 DBED N#C[C@]1(NC(=O)CN2CCCCS2(=O)=O)CCSC1 878222194 BKZHWZWUOLJHHW-LLVKDONJSA-N 303.409 -0.073 30 20 DBED C#CCNCC(=O)Nc1cccc([C@@]2(C)NC(=O)NC2=O)c1 912479557 TUTMPQPEATVUJC-OAHLLOKOSA-N 300.318 -0.098 30 20 DBED COCCNC(=O)[C@@H](C#N)C(=O)c1cccc(-n2cnnn2)c1 916892948 UDWIYEUHKSWFIE-LBPRGKRZSA-N 314.305 -0.253 30 20 DBED CN1CCN(C(=O)CN(C)S(=O)(=O)CC2(C#N)CC2)CC1 919303401 AGTCTONQDPSDEC-UHFFFAOYSA-N 314.411 -0.674 30 20 DBED COc1c[nH]c(C(=O)N[C@H]2CCN(C(=O)[C@@H](C)C#N)C2)cc1=O 938271066 GUGQPORADNPUOM-UWVGGRQHSA-N 318.333 -0.126 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)c2ccoc2CC(N)=O)C1 938550116 PXMBZXRJYQVHBD-UWVGGRQHSA-N 318.333 -0.202 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(CCN(C(=O)CC(N)=O)C2)CC1 944415016 PYWOVSFMGRSIGF-NSHDSACASA-N 306.366 -0.137 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)[C@H]1CC[C@H]1C(N)=O)CCO2 949153676 FOPFJMFRQHNDPK-KGLIPLIRSA-N 319.405 -0.176 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1cnn[nH]1 950986729 UXUINVZYZQKCLM-YPMHNXCESA-N 316.365 -0.767 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H](NC(=O)c2cn(C)c(=O)n2C)C1 951869962 MBHAIVXDSUCXPZ-QWRGUYRKSA-N 319.365 -0.396 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)C(N)=O)C[C@H]2C)cn1 955760278 KXIUQIDOGPKBOX-MFKMUULPSA-N 314.345 -0.343 30 20 DBED C#Cc1ccc(C(=O)N(CC)C2CN(CC(=O)NC)C2)cn1 957290341 UJCOEVDEOYGVME-UHFFFAOYSA-N 300.362 -0.045 30 20 DBED C#CCCN1C[C@H](O)[C@H](CNC(=O)c2ccc(OC)nn2)C1 958570610 MPYPEWGLRQMAQM-YPMHNXCESA-N 304.350 -0.469 30 20 DBED C=CCN1C[C@@H](O)[C@@H](CNC(=O)c2ccc(C(N)=O)cn2)C1 958743981 DCZJYOZIVPYOCE-WCQYABFASA-N 304.350 -0.611 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H]2CN(C(=O)Cc3cnc[nH]3)C[C@@H]21 960875455 RHRLIQMEFWIROO-WCFLWFBJSA-N 317.349 -0.450 30 20 DBED CS(=O)(=O)c1ccc(C(=O)NC2[C@H]3CN(CC#N)C[C@H]23)o1 961933041 QBXSEDFRRKIPKS-IUCAKERBSA-N 309.347 -0.133 30 20 DBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1[C@H]2CN(CC(N)=O)C[C@H]12 961994951 LAIOIBRNKOTYGU-ASHKBJFXSA-N 307.394 -0.111 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H]2[C@@H]1CCN2C(=O)c1nnn(C)n1 963534966 JMBOTNGEAWWQGH-VWYCJHECSA-N 317.353 -0.425 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CN(C(=O)Cc3cc[nH]n3)CCO2)C1 965342940 IITNXZXUTOGEMU-NSHDSACASA-N 317.349 -0.448 30 20 DBED C=CCCN1CC[C@H](C)[C@H](NC(=O)c2cn(CC(N)=O)nn2)C1 968682916 VQDWMJVKRLYHFG-NWDGAFQWSA-N 320.397 -0.220 30 20 DBED N#CCN1CCO[C@]2(CCN(C(=O)[C@H]3CCCNC3=O)C2)C1 972420409 URMMKEUCTICILL-SWLSCSKDSA-N 306.366 -0.661 30 20 DBED CC(=O)N1CCOC[C@@H]1C(=O)NCC1[C@@H]2CN(CC#N)C[C@@H]12 979092564 QBIBUZJYUXZTIP-MELADBBJSA-N 306.366 -0.949 30 20 DBED CC(=O)N1CCOC[C@@H]1C(=O)NC[C@H]1[C@@H]2CN(CC#N)C[C@H]12 979093278 QBIBUZJYUXZTIP-YIYPIFLZSA-N 306.366 -0.949 30 20 DBED C[C@H](C#N)C(=O)N1CCCN(CCN2C(=O)CNC2=O)CC1 980850115 QNDQGMCNBGSBLJ-LLVKDONJSA-N 307.354 -0.768 30 20 DBED O=C(NC[C@H]1CCN(C(=O)C#CC2CC2)C1)[C@H]1COCCO1 982742213 MQHUFOAQNLSUNI-ZIAGYGMSSA-N 306.362 -0.220 30 20 DBED C#CCN1CCC(C(=O)N2CC[C@@H](NC(=O)CC)[C@@H](O)C2)CC1 991141982 WVUOSTBJUAAHMM-CABCVRRESA-N 321.421 -0.180 30 20 DBED C[C@@H]1[C@@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)CCCN1CC#N 994171802 ONSLBJQWCRYGOL-MNOVXSKESA-N 321.381 -0.191 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN(C(=O)C2CC(OC)C2)C1 994755169 QMBAIVFZOTUDLH-ZALBZXLWSA-N 319.405 -0.164 30 20 DBED Cc1ccc(=O)n(CC(=O)N2C[C@H](NCC#N)C(C)(C)C2)n1 996542096 NNEZTPAUCAPVBD-LBPRGKRZSA-N 303.366 -0.098 30 20 DBED CC[C@@H]1CCCN1C(=O)C(=O)NC1CN(C(=O)[C@H](C)C#N)C1 999716999 DSROZNJTCZQCRS-ZYHUDNBSSA-N 306.366 -0.126 30 20 DBED N#Cc1ccc(C(=O)N2CC(CNC(=O)[C@H]3CCNC3=O)C2)[nH]1 1003553823 PSCLWYNVVVBHCW-NSHDSACASA-N 315.333 -0.789 30 20 DBED C#CCN1CCC[C@H](NC(=O)CN2C(=O)CC(C)(C)C2=O)C1 1007334602 WYIISFYPEPBBRW-LBPRGKRZSA-N 305.378 -0.015 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CCN(CC(=O)NC3CC3)C2)c[nH]1 1010688601 JFAVOKLAOOSLTR-GFCCVEGCSA-N 301.350 -0.031 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C(=O)CCN2CCOCC2)CC1 1011549161 OLWSDBMEZJFNJP-CYBMUJFWSA-N 308.382 -0.461 30 20 DBED C#CCCN1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1nc(C)n(C)c1=O 1018226617 NRIFSPQNUWRRJF-OKILXGFUSA-N 317.393 -0.411 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)[C@H](C)N2CCOCC2)[C@@H]1C 1020536951 IAXSOHJKCIIZGU-XUXIUFHCSA-N 322.409 -0.028 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](N[C@@H]2CCC(=O)NC2=O)C1 1020604678 JSBYDCCYUNSLAP-VEGXAWMVSA-N 321.377 -0.381 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)[C@@H]1CN(C)C(=O)N1 1026625190 QVBWKVYYKUVREV-RTXFEEFZSA-N 318.377 -0.614 30 20 DBED C=CCN(C)[C@@H]1CCCN(C(=O)CN2C(=O)CN(C)C2=O)C1 1027672964 AXRFHWJUGZQDPV-GFCCVEGCSA-N 308.382 -0.011 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCN1Cc1nnnn1C 1028142911 TXVUZLARAAGMKK-XQQFMLRXSA-N 320.397 -0.118 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCC[C@H](N[C@@H](C)C(N)=O)C1 1030019190 HZRAYNDTZVZULR-IHRRRGAJSA-N 306.410 -0.462 30 20 DBED C[C@H](C(=O)NC1CC1)N1CC(NC(=O)c2cc(C#N)c[nH]2)C1 1030200230 JCTRJYHZMWZSIE-SECBINFHSA-N 301.350 -0.033 30 20 DBED C=CCN1CC[C@H](N2CC(NC(=O)[C@H]3CCN(C)C3)C2)C1=O 1031382178 LGNAQWQNXMJBDM-JSGCOSHPSA-N 306.410 -0.475 30 20 DBED C#CCN1CCO[C@H](CNC(=O)[C@H]2CCN(C(=O)CC)C2)C1 1035569215 DEEMMSUDBGAPOA-UONOGXRCSA-N 307.394 -0.305 30 20 DBED C#CCOc1ncccc1C(=O)NC[C@@H]1CN(CCO)CCO1 1035587149 XBHGSOLRLBZDCA-CYBMUJFWSA-N 319.361 -0.484 30 20 DBED CCCn1nc(C(=O)NC[C@@H]2CN(CC#N)CCO2)ccc1=O 1035601352 AXHHIUWHIPBMOC-GFCCVEGCSA-N 319.365 -0.393 30 20 DBED C#CCN1CC[C@H]2CN(C(=O)c3cc(=O)n(C)cn3)CC[C@@H]21 1036740284 PIGAEUBIVFGFOB-JSGCOSHPSA-N 300.362 -0.050 30 20 DBED CS(=O)(=O)CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1cc(C#N)c[nH]1 1037353967 NOJFZIMOQGHOLR-KGYLQXTDSA-N 322.390 -0.267 30 20 DBED C#Cc1cncc(C(=O)NC[C@H]2CCN2Cc2nc(O)n[nH]2)c1 1038679286 AXPXLSQXBOMUOY-GFCCVEGCSA-N 312.333 -0.109 30 20 DBED C=CCO[C@@H](C)C(=O)NC[C@]1(O)CCN(C(=O)c2ccon2)C1 1040160876 IKMGNAOODNRKRK-XHDPSFHLSA-N 323.349 -0.041 30 20 DBED C[C@H]1[C@@H](N=c2cc[nH]c(C#N)n2)CCN1C(=O)[C@@H]1CCC(=O)N1 1040161566 XBVYIEHKOSBWPL-DCAQKATOSA-N 314.349 -0.550 30 20 DBED C#CCCCC(=O)N1CC[C@@](O)(CNC(=O)Cn2ccnc2)C1 1040214236 KBQQJUZMKZEVRP-MRXNPFEDSA-N 318.377 -0.234 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)c2cncnc2O)C1 1040767489 YCJRVEDYFMYBRB-XPTSAGLGSA-N 319.321 -0.965 30 20 DBED C#CCCN1CC[C@@]2(CCN(C(=O)CN3CCOCC3=O)C2)C1 1041364001 YCHYRAMAOYBNGX-QGZVFWFLSA-N 319.405 -0.207 30 20 DBED C#CCCN1CC[C@@H]2CCN(C(=O)Cn3cnnc3O)C[C@@H]21 1042022899 ZRORXIPTKRJVMF-OLZOCXBDSA-N 303.366 -0.070 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)[C@@H]2CCCCO2)C1 1043039947 KVYKYMYDTYGGTN-STQMWFEESA-N 324.377 -0.717 30 20 DBED C=CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)c2ccccn2)C1 1043569484 WYWSDUWRLSPADN-GFCCVEGCSA-N 319.361 -0.024 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2ccsn2)C1 1043588755 IYEVMPWQWCYJNI-JTQLQIEISA-N 323.374 -0.516 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)[C@@H]3[C@H]4COC[C@H]43)C2)nc1 1044385961 JDJRWZWEXPEWPE-JYKNGBAOSA-N 314.345 -0.489 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)[C@@H]2CC[C@@H]2C(N)=O)C1 1044451867 LOFPJZNUZMGIIN-WDEREUQCSA-N 323.393 -0.600 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)CNC(=O)C2CC2)C1 1044484931 UPSWKAUOVUYZTB-UHFFFAOYSA-N 323.393 -0.586 30 20 DBED C=C[C@H](C)[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2cnn[nH]2)C1 1044985836 NDYBZKOELNSKEV-VHSXEESVSA-N 307.354 -0.434 30 20 DBED C=CCCOCC(=O)N1CC(O)(CNC(=O)c2cccnn2)C1 1045236696 IRSXCLDXNGTFKW-UHFFFAOYSA-N 320.349 -0.628 30 20 DBED C#CCNC(=O)CC(=O)N1CC(O)(CNC(=O)CCCC=C)C1 1045451162 LTHBNXSZDOHUKS-UHFFFAOYSA-N 321.377 -0.828 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)[C@H]2C[C@@H]2C(F)F)C1 1045541580 XXHMBPMCYVOVRS-VGMNWLOBSA-N 301.293 -0.263 30 20 DBED C=CCN1CCC(C)(NC(=O)c2cn(CC(N)=O)nn2)CC1 1045645995 SIHYIQVOQHSAPS-UHFFFAOYSA-N 306.370 -0.466 30 20 DBED C=CCN1CC[C@@H](N2CCN(C(=O)c3cc(=O)n(C)o3)CC2)C1 1046024058 DKELWGDADOQJDL-CYBMUJFWSA-N 320.393 -0.004 30 20 DBED CC(C)N1CCO[C@H](C(=O)N(C)[C@H]2CN(CC#N)C[C@@H]2O)C1 1047499789 RMRPHSYNOBHYOB-IHRRRGAJSA-N 310.398 -0.877 30 20 DBED CN(C(=O)[C@@H]1CCc2cnn(C)c2C1)[C@H]1CN(CC#N)C[C@@H]1O 1047500765 HYRWMAXOWGUKKB-UGFHNGPFSA-N 317.393 -0.448 30 20 DBED C=C(C)CN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CN(CC)CCO2)C1 1047632809 BFKJPBCIQLBMEM-SOUVJXGZSA-N 311.426 -0.213 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2nn(CC)nc2C)C1 1047650145 SHLXUFDRAZASGG-STQMWFEESA-N 305.382 -0.253 30 20 DBED C=C(C)CN1C[C@H]2CN(C(=O)C[C@@H]3NC(=O)NC3=O)C[C@H]2C1 1048868768 NGGNTORDJJPPBG-TUAOUCFPSA-N 306.366 -0.449 30 20 DBED C=CCCN1C[C@H]2CN(C(=O)Cn3ccc(O)nc3=O)C[C@H]2C1 1048923400 UHMBRYPABPOLFV-BETUJISGSA-N 318.377 -0.085 30 20 DBED N#Cc1nc(=N[C@H]2CCCCCN(C(=O)C(N)=O)C2)cc[nH]1 1049957006 URFCQPDLSNVVFU-JTQLQIEISA-N 302.338 -0.561 30 20 DBED CC#CCN1CCOC[C@H]1CNC(=O)c1cnc(N(C)C)cn1 1050919803 SAWZJGLMOCUZPE-CYBMUJFWSA-N 317.393 -0.004 30 20 DBED Cn1nnc2cc(C(=O)NC[C@H]3COCCN3CC#N)ccc21 1050985772 HSWCYHYFDBOQJG-LBPRGKRZSA-N 314.349 -0.078 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)c1ccc2nnnn2c1 1051024398 BHBVGIGHXSKAJL-LBPRGKRZSA-N 300.322 -0.812 30 20 DBED C=CCN1CCOC[C@H]1CNC(=O)c1ccc(C(N)=O)cn1 1051269753 WYSJZCVUMDPVEN-GFCCVEGCSA-N 304.350 -0.203 30 20 DBED N#Cc1ccc(F)cc1CNC[C@@H]1CN(C(=O)C(N)=O)CCO1 1051796667 TUKMBNNTHQEVKN-CYBMUJFWSA-N 320.324 -0.500 30 20 DBED C#CCN1CC2(C1)CN(C(=O)c1cc(=O)c(OC)c[nH]1)CCO2 1053342455 YSBATKXNIARLAM-UHFFFAOYSA-N 317.345 -0.457 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)[C@H]3CCc4nccn4C3)CO2)C1 1053852186 HWJFWDJMLWIGSS-QWHCGFSZSA-N 315.377 -0.071 30 20 DBED C=C(C)CN[C@@H]1CN(C(=O)Cn2ccc(O)nc2=O)C[C@@H]1C 1054874485 NHJGJOXQPLQNDJ-NWDGAFQWSA-N 306.366 -0.039 30 20 DBED CO[C@H](C)C(=O)NCCN1CCC(NC(=O)[C@H](C)C#N)CC1 1055534248 FCBAAGBDZLXDGH-VXGBXAGGSA-N 310.398 -0.122 30 20 DBED N#Cc1nccnc1N1C[C@H]2[C@H](NC(=O)[C@H]3CCC(=O)N3)[C@H]2C1 1056146444 HAKVFCKVOZGUES-COMAGPEQSA-N 312.333 -0.822 30 20 DBED C[C@H](C(=O)NC1[C@@H]2CN(c3cnc(C#N)cn3)C[C@@H]12)n1cncn1 1056168115 HXJNYDLPUDHMAD-YUSALJHKSA-N 324.348 -0.248 30 20 DBED Cn1ncc(C(=O)NC2[C@@H]3CN(c4ccnc(C#N)n4)C[C@@H]23)c1N 1056176177 JWWIJVXFCAYLOH-NXEZZACHSA-N 324.348 -0.471 30 20 DBED N#Cc1ccc(N2C[C@@H]3C(NC(=O)[C@@H]4CCC(=O)N4)[C@H]3C2)nn1 1056263704 QYUGUOISDMVVEY-DCAQKATOSA-N 312.333 -0.822 30 20 DBED N#Cc1cnc(N[C@@H]2CCN(C(=O)[C@H]3COC(=O)N3)C2)cn1 1056618192 ONXHTNRIBDUDRG-PSASIEDQSA-N 302.294 -0.531 30 20 DBED C=CCO[C@H](C)C(=O)NCCN(CCO)C(=O)[C@@H](C)OCC 1057060726 NTYHXRZXWCIRFS-CHWSQXEVSA-N 316.398 -0.060 30 20 DBED N#Cc1nccnc1N1CCC[C@@H](NC(=O)[C@H]2CCC(=O)N2)C1 1058127086 ILITVAXACANOGF-GHMZBOCLSA-N 314.349 -0.288 30 20 DBED C=CC(C)(C)C(=O)N(CCO)CCNC(=O)CCn1cnnn1 1058302121 GKMUTZGEXMODNO-UHFFFAOYSA-N 324.385 -0.788 30 20 DBED C=CCCCC(=O)N(CCO)CCNC(=O)Cn1cncn1 1058623626 ZWACFHYIQQNOFT-UHFFFAOYSA-N 309.370 -0.429 30 20 DBED N#CCSCC(=O)NCC[C@H]1CCN(C(=O)CC(N)=O)C1 1059379273 NZTBCXUUDOCYAR-JTQLQIEISA-N 312.395 -0.527 30 20 DBED N#Cc1ccc(NC[C@@H]2CCN(C(=O)[C@@H]3CCC(=O)N3)C2)nn1 1060900038 MDHMVTWQHWMEJM-JQWIXIFHSA-N 314.349 -0.113 30 20 DBED COCC(=O)NC[C@@H]1COCCN1C(=O)c1ccc(C#N)[nH]1 1061196131 QOWSHLJXUDCTMR-LLVKDONJSA-N 306.322 -0.510 30 20 DBED O=C(C#CC1CC1)NC1(CNC(=O)[C@@H]2COC(=O)N2)CCC1 1062898547 NBVYYAVRNWORKE-NSHDSACASA-N 305.334 -0.337 30 20 DBED N#Cc1cncc(N2CCO[C@H](CNC(=O)c3nc[nH]n3)C2)n1 1063640000 WJSUQLRFOHURNV-SNVBAGLBSA-N 314.309 -0.898 30 20 DBED N#Cc1ccc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)Cn2nccn2)cn1 1064300654 FLSMWDCXLIUBMP-DGFSRKRXSA-N 309.333 -0.062 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)[C@H](CC)OC)CCO1 1064946302 LHMXTVFCNTVJCD-STQMWFEESA-N 314.382 -0.042 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCO[C@H](CNC(=O)C(F)F)C1 1065097684 XMFTWNLNSWVKMZ-RNCFNFMXSA-N 306.309 -0.078 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCCN(C)C(=O)C1CS(=O)(=O)C1 1067491060 YEVMVIAVHNAYST-JTQLQIEISA-N 315.395 -0.502 30 20 DBED C=CCOCC(=O)N1CCOC2(C1)CN(C(=O)CCOC)C2 1068355002 DTGXPLYVEWPBQK-UHFFFAOYSA-N 312.366 -0.335 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)[C@@H]4COCCN4C)C[C@@]3(C1)O2 1070789589 DEDDGYMOXNLXJH-PNBKFKSVSA-N 319.405 -0.748 30 20 DBED C=CCN1C[C@H]2C[C@@H]3CN(C(=O)[C@H]4C[C@H]4C(N)=O)C[C@@]3(C1)O2 1070855733 UGCCFNGEZXXXMV-ZRTFPUAOSA-N 305.378 -0.405 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)Cc4cnc[nH]4)C[C@@]3(C1)O2 1070862108 JGQNXADNQMIPFE-JGGQBBKZSA-N 300.362 -0.113 30 20 DBED C=CCCC(=O)N1C[C@H](C)[C@H](NC(=O)c2nnc(O)nc2O)C1 1071787544 PIZKJLHTARHDOR-DTWKUNHWSA-N 321.337 -0.174 30 20 DBED C=CCOCC(=O)N[C@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1C 1072014952 WPKIDOVEKBPGOK-MNOVXSKESA-N 307.354 -0.406 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1073709798 IJNIUZNRWNHYFQ-YHUYYLMFSA-N 322.405 -0.122 30 20 DBED C#CCOCCC(=O)NCC[C@H](C)NC(=O)CC(=O)N(C)C 1076506283 QCUUZGFBJRAOGZ-LBPRGKRZSA-N 311.382 -0.484 30 20 DBED CC(C)C#CC(=O)N[C@@H](C)CCNC(=O)C[C@@H]1NC(=O)NC1=O 1077120873 VOTUXUGCYAKYER-QWRGUYRKSA-N 322.365 -0.745 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)c2nc(C)c(C)[nH]c2=O)C1 1077209312 ADBITZCSZQGYGG-VXGBXAGGSA-N 304.350 -0.815 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CO)(NC(=O)c2n[nH]cc2F)CC1 1080994345 UBUPPYLAPWJVBB-VIFPVBQESA-N 323.328 -0.208 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)CC(=O)N(C)C)C[C@@H]1O 1081337605 GZRVEWXDBAVTMM-RYUDHWBXSA-N 311.382 -0.634 30 20 DBED CCOCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 1081373194 DSEIKWPIXTUYLE-YPMHNXCESA-N 320.349 -0.528 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)C2(NC(N)=O)CC2)C1 1081418807 DAFAYTDHIVKRBQ-GHMZBOCLSA-N 324.381 -0.911 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(C(=O)Cn2cccn2)C[C@@H]1O 1081469693 ZZGOTEUIAIUJTK-KBPBESRZSA-N 316.361 -0.768 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@H](CNC(=O)Cn2nccn2)C1 1081520534 REYHACIOGYONIG-NEPJUHHUSA-N 321.381 -0.574 30 20 DBED C#CCCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)Cc2nc[nH]n2)C1 1081791587 UDDCCDMWCGDISR-VXGBXAGGSA-N 319.365 -0.914 30 20 DBED C#CCCCC(=O)N1CCCC[C@H]1CNC(=O)[C@@H]1CNC(=O)N1 1082038198 WKURFYBYFBAOKP-STQMWFEESA-N 320.393 -0.031 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)[C@H]2CCNC(=O)CC2)C1 1083671367 KYCVLHSLICLMEF-UTUOFQBUSA-N 315.801 -0.184 30 20 DBED C[C@@H](C[C@H](C)NC(=O)CC(=O)N(C)C)N=c1cc[nH]c(C#N)n1 1089487776 PREKXVWTWAWBBZ-QWRGUYRKSA-N 318.381 -0.056 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2cnc(N(C)C)cn2)[C@@H](O)C1 1090269992 VGQODGUPQHZDSQ-JSGCOSHPSA-N 317.393 -0.269 30 20 DBED CO[C@@H](C)C(=O)N[C@@H]1CN(c2nc(C)ccc2C#N)C[C@H]1O 1090377797 MCFIHDXMCLXIFL-CYZMBNFOSA-N 304.350 -0.038 30 20 DBED CO[C@H](C(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1O)C(C)C 1090535426 TVYMSLFXTOFCLM-BZPMIXESSA-N 319.365 -0.315 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2c(C)nn(C)c2OC)[C@H](O)C1 1090614906 CFLFTPACNITXSB-CHWSQXEVSA-N 320.393 -0.075 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2c[nH]c(C(N)=O)c2)[C@@H](O)C1 1090813740 VQKAYWQFTZJSPD-AAEUAGOBSA-N 304.350 -0.698 30 20 DBED CNC(=O)CC(=O)NC[C@H]1C[C@H](Nc2ccc(C#N)nn2)C1 1091449210 UFQXYRWZENIBAE-HOMQSWHASA-N 302.338 -0.209 30 20 DBED N#Cc1ccc(N2C[C@H]3[C@H](NC(=O)CCc4cnn[nH]4)[C@H]3C2)nn1 1093360181 DQGOSNUUOFCZSF-JYAVWHMHSA-N 324.348 -0.350 30 20 DBED CC#CCN1CC(OC2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)C1 1093574900 HKTYMVNBBZLNBU-CABCVRRESA-N 319.405 -0.177 30 20 DBED Cn1nnc(C(=O)NCCNc2cc(C#N)ccc2[N+](=O)[O-])n1 1094042651 HPYHTSBPQBRPSY-UHFFFAOYSA-N 316.281 -0.168 30 20 DBED C=CCN1CCN(C(=O)c2cn(C)cn2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094624785 ZCEJTFWYVWUAKB-QWHCGFSZSA-N 324.406 -0.471 30 20 DBED N#CCN1CC(N2C[C@H](NC(=O)c3cc(F)c[nH]3)CC2=O)C1 1094759780 BJSADIWVFWPLFH-SNVBAGLBSA-N 305.313 -0.308 30 20 DBED CC#CCN1CC(N2C[C@H](NC(=O)c3cccnn3)CC2=O)C1 1094804645 YKOATXSCEQUNFC-GFCCVEGCSA-N 313.361 -0.485 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)Cc3[nH]cnc3C)CC2=O)C1 1094811766 RAXJPXFEQUDCIK-LBPRGKRZSA-N 315.377 -0.705 30 20 DBED CN(CCCNC(=O)Cn1cncn1)c1ccnc(C#N)n1 1095556034 ULYXDVYNSKQEMV-UHFFFAOYSA-N 300.326 -0.418 30 20 DBED CN(CCCNC(=O)CCn1cnnn1)c1ccc(C#N)nc1 1095619195 NUKQPGPMXLNULE-UHFFFAOYSA-N 314.353 -0.027 30 20 DBED CCN1CCO[C@H](C(=O)NC[C@@H](C)Nc2cnc(C#N)cn2)C1 1097874446 GZCJRWNMIJEYRX-YPMHNXCESA-N 318.381 -0.014 30 20 DBED N#CCN(CCO)C1CCN(C(=O)[C@H]2CCCCC(=O)N2)CC1 1098478054 TXQFZUIRWFWFPO-CQSZACIVSA-N 322.409 -0.146 30 20 DBED C[C@H](C(=O)N1CCC(N(CC#N)CCO)CC1)[C@H]1CCC(=O)N1 1098485077 KQHZGISWQNWART-GXTWGEPZSA-N 322.409 -0.290 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2cn(C)nc2C)[C@H](O)C1 1099746872 PRTBZOZHVHETEV-HUUCEWRRSA-N 320.393 -0.457 30 20 DBED CCn1nccc1C(=O)N[C@@H]1CCN(CC#CCOC)C[C@H]1O 1099787984 ADFIGJMZKCIXRG-UKRRQHHQSA-N 320.393 -0.282 30 20 DBED C#CCCCC(=O)N[C@@H]1CCN(Cc2cnnn2C)C[C@@H]1O 1099807415 PNBSLKMMAGTNMW-KGLIPLIRSA-N 305.382 -0.330 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CCCCC(=O)NC)[C@H](O)C1 1100133638 DFXLTOKZIYSKAR-ZIAGYGMSSA-N 309.410 -0.133 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)C[C@@H]2COC(=O)C2)C1 1100248893 LJFGGIFTQHJQDY-CPCZMJQVSA-N 321.377 -0.827 30 20 DBED CO[C@H](C(=O)NCCN(C)c1nccnc1C#N)[C@@H]1CCOC1 1100250928 UKTIBBHVQTYFGV-YPMHNXCESA-N 319.365 -0.048 30 20 DBED Cc1ccnc(C(=O)NCC2CC(NCC(=O)NCC#N)C2)n1 1100290918 KEDLBWHEZMMHSY-UHFFFAOYSA-N 316.365 -0.477 30 20 DBED C=CCNC(=O)CNC1CC(CNC(=O)c2cnn(CC)n2)C1 1100298058 VOBNTQYMGAMTBY-UHFFFAOYSA-N 320.397 -0.302 30 20 DBED COCC(=O)N[C@H](C)C(=O)NCCN(C)c1ccc(C#N)nn1 1100378514 NQXZGRLSLAQPCJ-SNVBAGLBSA-N 320.353 -0.948 30 20 DBED N#CCNC(=O)CNC1CC(CNC(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1100589959 CBJPFAOTCISRJU-SGQZKWBFSA-N 306.366 -0.997 30 20 DBED CCN(CCNC(=O)CCn1cnnn1)c1cncc(C#N)n1 1100600359 OVXLDMAKTKCYBQ-UHFFFAOYSA-N 315.341 -0.632 30 20 DBED C#CCNC(=O)[C@H](C)NC1CC(CNC(=O)c2ccnnc2)C1 1100703752 SLMUQHFBQSUAEU-DCBWTQNWSA-N 315.377 -0.288 30 20 DBED CS(=O)(=O)CC(=O)NC[C@H]1CCN(c2cncc(C#N)n2)C1 1100961526 LEGAXTLJBUTVBK-SNVBAGLBSA-N 323.378 -0.665 30 20 DBED CNC(=O)CC(=O)NC[C@@H]1CCN(c2nccnc2C#N)C1 1100975621 LEJRVZPGNAZDBN-JTQLQIEISA-N 302.338 -0.573 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H]1CCN(c2nccnc2F)C1 1100976053 VIQAPFDMQDKQQI-LLVKDONJSA-N 319.340 -0.302 30 20 DBED COC(=O)NCC(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(C#N)nn1 1102537691 REGRLVCLLFQKJA-QWRGUYRKSA-N 316.321 -0.506 30 20 DBED CC[C@H](CNC(=O)c1nnn(C)n1)Nc1nccnc1C#N 1103276103 WJYWRSRJGLZSKG-MRVPVSSYSA-N 301.314 -0.508 30 20 DBED C#CCCN1C[C@@H](C)[C@H](CCNC(=O)CN2CCNC(=O)C2)C1 1103309052 OHUIYSXMTAGPQE-HUUCEWRRSA-N 320.437 -0.484 30 20 DBED C[C@@H](CNC(=O)[C@H]1COCCO1)CNc1cnc(C#N)cn1 1103877920 JAEKMXAXYVOQCM-ZYHUDNBSSA-N 305.338 -0.072 30 20 DBED CC(C)[C@@H](CNC(=O)c1cnn(C)n1)N=c1cc[nH]c(C#N)n1 1105203749 RACVIWATLWNWQC-SNVBAGLBSA-N 314.353 -0.235 30 20 DBED C=CCCNCc1cn(C2CN(C(=O)c3ncn(C)n3)C2)nn1 1105230509 JYPYQGQFOMYKDS-UHFFFAOYSA-N 316.369 -0.231 30 20 DBED C=CCCNCc1cn(C2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)nn1 1105328762 USXVUBHUFVXZOV-OLZOCXBDSA-N 318.381 -0.552 30 20 DBED CCNC(=O)CC(=O)NC[C@H](O)CNc1ncccc1C#N 1105794747 LAYYBYQGNMQZRD-NSHDSACASA-N 305.338 -0.632 30 20 DBED Cc1nonc1C(=O)NC[C@@H](O)CNc1cncc(C#N)n1 1105884106 CQCLBDMXHFVOEJ-VIFPVBQESA-N 303.282 -0.758 30 20 DBED COCC(C)(C)C(=O)NC[C@@H](O)CNc1ccc(C#N)nn1 1106022485 BZSKWJBANIPEDX-NSHDSACASA-N 307.354 -0.090 30 20 DBED C[C@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)Cn1cncn1 1106334330 WRBQFHSUFVOWFX-SNVBAGLBSA-N 300.326 -0.631 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)[C@@]1(C)CNC(=O)C1 1106899380 OMDJBLHMTQGGCC-OAHLLOKOSA-N 316.365 -0.443 30 20 DBED N#Cc1nc(=NC/C=C/CNC(=O)[C@H]2COCCO2)cc[nH]1 1107050331 GACOXDAGGDUHAM-FMBMQGQPSA-N 303.322 -0.730 30 20 DBED C#CCCN1CCO[C@@](C)(CNC(=O)[C@H]2CC(=O)N(C)C2)C1 1107983564 OAMDEPRJNMDDGE-BBRMVZONSA-N 307.394 -0.305 30 20 DBED CC#CCN1CCO[C@@](C)(CNC(=O)[C@@H]2CCC(=O)NC2)C1 1108043161 FFWKBPKTIOGMJG-CJNGLKHVSA-N 307.394 -0.257 30 20 DBED C[C@H](CN=c1cc[nH]cc1C#N)NC(=O)[C@@]1(C)CCNC1=O 1108106029 XZBBXWKXUANPMQ-BMIGLBTASA-N 301.350 -0.182 30 20 DBED C=CCNC(=O)[C@H](C)N1CC(N2C[C@@H](NC(=O)CC)CC2=O)C1 1108490802 AKEIWDNWWIKCPM-RYUDHWBXSA-N 322.409 -0.512 30 20 DBED C[C@@H](OCC1CC1)C(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1 1108521783 JMDARSDCJIUPCN-DGCLKSJQSA-N 320.393 -0.274 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)C[C@](C)(O)C=C)CC2=O)C1 1108538431 HFJKSTFAZIIDOD-MLGOLLRUSA-N 305.378 -0.652 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@H]1CC(=O)N(C2CN(CCF)C2)C1 1108538773 NRJDRIXQZKFRNZ-XHDPSFHLSA-N 313.373 -0.316 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)C3(CN(C)C)CC3)CC2=O)C1 1108566287 HJROFKSKDDZMEJ-CYBMUJFWSA-N 318.421 -0.637 30 20 DBED C[C@H](CN(C)c1cncc(C#N)n1)NC(=O)CN1CCCC1=O 1108849611 FDIDIYMDTXCKCK-LLVKDONJSA-N 316.365 -0.088 30 20 DBED C[C@@H](CN(C)c1ncc(C#N)cc1F)NC(=O)Cn1cnnn1 1108850373 OCHMRPCYAQLEMH-VIFPVBQESA-N 318.316 -0.280 30 20 DBED C[C@H](CN(C)c1cncc(C#N)n1)NC(=O)[C@@]1(C)CNC(=O)C1 1109157178 YDMSUCHOGPYYMP-MEBBXXQBSA-N 316.365 -0.185 30 20 DBED CC(=O)N[C@@H](C)C(=O)NCC1(Nc2cncc(C#N)n2)CC1 1110056074 GKIPWGQPVPSXNK-VIFPVBQESA-N 302.338 -0.066 30 20 DBED COC(=O)NCC(=O)NCC1(Nc2nccnc2C#N)CC1 1110066764 NGGGJLIPZDKRGZ-UHFFFAOYSA-N 304.310 -0.235 30 20 DBED Cc1cc(C#N)nc(NC2(CNC(=O)[C@H]3CNC(=O)N3)CC2)n1 1110324396 MLMILEZGWFLYBO-SNVBAGLBSA-N 315.337 -0.601 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)N1CCC1 1110546274 SCISMWULFCTUTI-TUVASFSCSA-N 319.405 -0.022 30 20 DBED C=CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CNC(=O)CNC(C)=O 1110734588 WBUMAMYAUAAYTL-UPJWGTAASA-N 308.382 -0.854 30 20 DBED C=CCOCCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H]1CNC(=O)N1 1110961162 UFPZVTWILXOWEP-LPWJVIDDSA-N 308.382 -0.408 30 20 DBED C[C@H](NC(N)=O)C(=O)NCC1(Nc2ccnc(C#N)n2)CCC1 1111786145 ACABNVNBVGOFNE-VIFPVBQESA-N 317.353 -0.144 30 20 DBED CN(CCCN(C)c1nccnc1C#N)C(=O)[C@H]1CNC(=O)N1 1112168354 JUTNNPNHZSXTPC-LLVKDONJSA-N 317.353 -0.686 30 20 DBED N#Cc1cnc(N2C[C@H](O)[C@H](CNC(=O)C#CC3CC3)C2)cn1 1112720139 GNFLVUAJGUSIAF-OCCSQVGLSA-N 311.345 -0.325 30 20 DBED C#CCOCCC(=O)NC[C@H]1CN(c2ccc(C)nn2)C[C@H]1O 1112737862 JHHAGERLMCCNCF-UONOGXRCSA-N 318.377 -0.262 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)[C@H](C)NC(=O)CC)CC1 1112880071 MDPXQUYWXYWPAX-STQMWFEESA-N 324.425 -0.264 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)[C@]23CCC[C@H]2OCC3)CC1 1113092864 PKFDVBWQPDGRJY-CJNGLKHVSA-N 320.393 -0.270 30 20 DBED CC#CCCCC(=O)N1CCN(CCN2C(=O)CNC2=O)CC1 1113232239 JGCZQKCYMTXSEA-UHFFFAOYSA-N 320.393 -0.124 30 20 DBED C[C@@H](CNC(=O)Cc1nc[nH]n1)N(C)c1nccnc1C#N 1113714587 NDYKQANDBUGVAR-VIFPVBQESA-N 300.326 -0.350 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)CCCn2ccnc2)CC1 1113722522 YNNKOWMDEVXLKI-UHFFFAOYSA-N 318.381 -0.553 30 20 DBED Cc1ccc(C(=O)N[C@H]2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]32)o1 1113809789 ORCFVSKRKKIRCN-YABSGUDNSA-N 302.334 -0.112 30 20 DBED C#CCOCCC(=O)N[C@H]1[C@@H]2CN([C@@H](C)c3nnnn3C)C[C@@H]21 1114268227 IDACWYPGCFAEDN-CIQGVGRVSA-N 318.381 -0.643 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1[C@@H]2CN(CC(=O)NCC)C[C@@H]12 1114420944 KCKYXRRSFIOLOM-MCIONIFRSA-N 318.421 -0.734 30 20 DBED C=CCC[C@H](C)N1C[C@@H]2C(NC(=O)Cn3ncn(C)c3=O)[C@H]2C1 1114493946 PSUPCNCTKZMHCN-AVGNSLFASA-N 319.409 -0.017 30 20 DBED N#CCNC(=O)CN1C[C@H]2C(NC(=O)C3(CCF)CC3)[C@@H]2C1 1114613376 JONWPGAEKFDOCF-GHMZBOCLSA-N 308.357 -0.188 30 20 DBED C=C1CC(C)(C(=O)NC2[C@@H]3CN(CC(=O)NC(N)=O)C[C@@H]23)C1 1114805423 CMGWKHWDGGCVEU-NXEZZACHSA-N 306.366 -0.416 30 20 DBED C=C(C)CN1C[C@H]2[C@H](NC(=O)[C@H](CCC(N)=O)NC(C)=O)[C@H]2C1 1114977789 INMQODYJPHAVER-SFDCQRBFSA-N 322.409 -0.621 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)c3cn(CC)cn3)[C@H]2C1 1115128819 SZHCANUYKGLHAA-RYUDHWBXSA-N 317.393 -0.135 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)c3ccn(C)n3)[C@@H]2C1 1115241464 IIMNURBSYSHZTD-GHMZBOCLSA-N 303.366 -0.618 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@H](C)OCC=C)[C@H]2C1 1115332513 OPOZOEJPBNEMEY-RMRHIDDWSA-N 305.378 -0.627 30 20 DBED CNC(=O)NCCC(=O)N(C)C[C@H](C)Nc1nccnc1C#N 1115704212 HHQYLVUFDWHBSS-JTQLQIEISA-N 319.369 -0.074 30 20 DBED C[C@H](C#N)CNC(=O)NCCNS(=O)(=O)Cc1ccon1 1116526799 DDCZTSSQINPOKE-SECBINFHSA-N 315.355 -0.447 30 20 DBED C#CCNC(=O)C1CCN(C(=O)C[C@@H]2SC(=N)NC2=O)CC1 1116937602 FNIZRZAKTZWTSN-JTQLQIEISA-N 322.390 -0.469 30 20 DBED C=CCS(=O)(=O)CCN[C@H]1C(=O)NCC12CCOCC2 1119700384 FVCIFHIRHYCTCQ-NSHDSACASA-N 302.396 -0.528 30 20 DBED N#CCNC(=O)CNC1CC2(C1)CC(NC(=O)c1cocn1)C2 1120820223 GHHCBNKCLLBUQA-UHFFFAOYSA-N 317.349 -0.055 30 20 DBED CCO[C@H](C)C(=O)NC[C@@H](CO)Nc1nc(C)cc(C#N)n1 1121223950 ZEKKSIHWOMEPNC-PWSUYJOCSA-N 307.354 -0.029 30 20 DBED C=CCn1c([C@@H]2CNC(=O)C2)nnc1N1CCN(C)C(=O)[C@H]1C 1121283432 QCUWVGHMMKDEKL-MNOVXSKESA-N 318.381 -0.266 30 20 DBED N#Cc1nccnc1N[C@H](CO)CNC(=O)C[C@@H]1CCOC1 1121399628 QEYWSRAUJSQMSK-QWRGUYRKSA-N 305.338 -0.336 30 20 DBED CCn1ccnc1C(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1 1121412787 UZYYFDFGZFVWIW-JTQLQIEISA-N 315.337 -0.811 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)Cn2ccnc2)nc1 1121718997 VIZZBOILTIXWDU-GFCCVEGCSA-N 300.322 -0.261 30 20 DBED CC#CCNC1CC2(C1)CC(NC(=O)CN1CC(=O)NC1=O)C2 1121919535 TWOKJRGEJMQQDZ-UHFFFAOYSA-N 318.377 -0.422 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@@H](CO)Nc1ncccn1 1122037148 UMACYBWJYCEWEC-QWHCGFSZSA-N 321.381 -0.164 30 20 DBED CN(C[C@H](O)CNc1ncccc1C#N)C(=O)[C@H]1COC(=O)N1 1124271506 LNTFPSPUDLEUFS-GHMZBOCLSA-N 319.321 -0.707 30 20 DBED CS(=O)(=O)CC(=O)NCCNCc1ccc(C#N)cc1F 1124362153 JWDRNRPWQFHSBX-UHFFFAOYSA-N 313.354 -0.052 30 20 DBED C=CCOCC(=O)NCCNCCCNS(=O)(=O)CC 1124768097 SKRSYMZKFSRVMF-UHFFFAOYSA-N 307.416 -0.776 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)Cc1ccn(C)n1 1126964778 ADUKAFIFMAQLBJ-UHFFFAOYSA-N 320.397 -0.569 30 20 DBED C#CCO[C@H](C)C(=O)NCCNCC(=O)Nc1cnccn1 1127045805 HQJUDFSXNOIDPF-LLVKDONJSA-N 305.338 -0.841 30 20 DBED CC(=O)NCC(=O)NCC1=CCN(c2cnc(C#N)cn2)CC1 1127531589 PARWEZNWMOAEPD-UHFFFAOYSA-N 314.349 -0.263 30 20 DBED C#CCCN[C@@H]1CN(C(=O)[C@@H]2CCOC2)C[C@@H]1n1ccnn1 1129655838 HTJITVKEDYPYGT-MCIONIFRSA-N 303.366 -0.321 30 20 DBED CNC(=O)NCCC(=O)N[C@H]1CC[C@@H](C)N(CC#CCOC)C1 1132012934 FCPGSZMUJVYLQQ-KGLIPLIRSA-N 324.425 -0.076 30 20 DBED C=CCCN1C[C@H](NC(=O)CNS(=O)(=O)NC)CC[C@H]1C 1132199682 LSXUMFUUNBZVJA-VXGBXAGGSA-N 318.443 -0.415 30 20 DBED C[C@@H]1CCN(C(=O)c2nc[nH]n2)C[C@@H]1CNCC(=O)NCC#N 1133181814 ITOIJHUYRYPIDU-MNOVXSKESA-N 319.369 -0.868 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@@H](C)Oc1cccnc1 1133629348 ZRZOXPHFGKWLJQ-GFCCVEGCSA-N 306.366 -0.143 30 20 DBED C=CCOCC(=O)N[C@@H](C)C[C@H](C)NCc1nc(=O)n(C)[nH]1 1133909848 RSIBRJYOHVFIOU-QWRGUYRKSA-N 311.386 -0.316 30 20 DBED C#CCCN[C@H](C)C[C@H](C)NC(=O)CNS(=O)(=O)CC 1134499465 DBPHNUUDSUDQOU-NEPJUHHUSA-N 303.428 -0.178 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)CCN(C)CC 1135858504 YVHYTLGLMRDYRX-KGLIPLIRSA-N 310.442 -0.050 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1ccc2nccn2c1 1147449320 NXHCWSRGDVWIDJ-LBPRGKRZSA-N 313.361 -0.208 30 20 DBED C=CCC1(C(=O)NCCNCC(=O)NC(N)=O)CCOCC1 1149318449 VROBFNIZSHQGIF-UHFFFAOYSA-N 312.370 -0.740 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cnn2c1C[C@H](C)CC2 1149352355 QUEJXROISYHKHG-GFCCVEGCSA-N 317.393 -0.466 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C[C@@H](O)COC)CCCO1 1149385062 YIVUACZYZJWOOA-KGLIPLIRSA-N 316.398 -0.597 30 20 DBED CS(=O)(=O)CCC(=O)NC[C@H]1CN(CC#N)CCCO1 1149904012 PHAOEMIFXGBCHG-NSHDSACASA-N 303.384 -0.848 30 20 DBED C#CCN1CCC(C(=O)NCCNCc2cnnn2CC)CC1 1152334566 HYOLKJGRGZUHQQ-UHFFFAOYSA-N 318.425 -0.151 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)Cc1cncnc1 1153030747 LALBUGMEEGQHDH-CYBMUJFWSA-N 317.393 -0.405 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@@H](C)c1cnn(C)c1 1154005743 CEVBDRLBXMJNEG-RYUDHWBXSA-N 305.382 -0.633 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)Cc1[nH]cnc1C 1156613224 UPADZFKGHGKUDA-GFCCVEGCSA-N 319.409 -0.163 30 20 DBED COCC1(CNC(=O)CNC(=O)C2CC2)CCN(CC#N)CC1 1162132152 YMHUCIYWTXLVKU-UHFFFAOYSA-N 322.409 -0.119 30 20 DBED C=CCOCC(=O)N[C@H](C)CCCCNCC(=O)NC(N)=O 1169767724 AALVLYYYQXYTGW-LLVKDONJSA-N 314.386 -0.352 30 20 DBED C[C@@H](CCCCNCC(=O)NCC#N)NC(=O)CCN(C)C 1175056743 PDCMRMBSMAQEFZ-ZDUSSCGKSA-N 311.430 -0.158 30 20 DBED CNC(=O)C1(C(=O)N2CC[C@@H]3OCCN(CC#N)[C@@H]3C2)CC1 1177113358 STOYPFZZOVRASB-NEPJUHHUSA-N 306.366 -0.662 30 20 DBED CCc1cc(C(=O)NCCCNCC(=O)NCC#N)nn1C 1177501695 ZUXGBJMMTMNHOH-UHFFFAOYSA-N 306.370 -0.668 30 20 DBED C[C@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)C1CCOCC1 1178018716 CTGTVZFTXNRJFC-AAEUAGOBSA-N 308.382 -0.368 30 20 DBED Cc1n[nH]cc1C(=O)N1CC[C@H](NCC(=O)NCC#N)[C@@H]1C 1179275615 PNLMGWYGXBMDIH-JQWIXIFHSA-N 304.354 -0.450 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)CCc2ncc[nH]2)C1 1182204618 RORHHHGPSVQCBH-GFCCVEGCSA-N 305.382 -0.165 30 20 DBED C#CCN1CCC(C(=O)N2CC[C@@H](NCC(=O)N(C)C)C2)CC1 1188091808 OJLVZNIHTJAGHQ-OAHLLOKOSA-N 320.437 -0.390 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@H](N(C)Cc2nnn(C)n2)C1 1190093994 GEKNSJXVBXUXGF-RYUDHWBXSA-N 306.370 -0.719 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)C2(CN(C)C)CC2)C1 1192006292 GIFCAKFVUHKNCX-AWEZNQCLSA-N 320.437 -0.390 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)C2(CN(C)C)CC2)C1 1192006304 GIFCAKFVUHKNCX-CQSZACIVSA-N 320.437 -0.390 30 20 DBED C#CCCN(C)[C@@H]1CCN(C(=O)CN2CCC(=O)NC2=O)C1 1193309549 CYWZTNKCXFYBGI-GFCCVEGCSA-N 306.366 -0.516 30 20 DBED C[C@@H](C#N)C(=O)N1CCCN(CC(=O)NC(=O)NC2CC2)CC1 1195314410 MPBBSTJIKLCTQO-NSHDSACASA-N 321.381 -0.331 30 20 DBED CC#CCCCC(=O)N[C@@H]1CN(Cc2cn(C)nn2)C[C@H]1O 1195466626 CMOOIUKZYPFWKP-ZIAGYGMSSA-N 305.382 -0.330 30 20 DBED N#CCNC(=O)CN1CCCN(C(=O)c2ncccc2O)CC1 1195598901 ZSOWNWIOUXQGLS-UHFFFAOYSA-N 317.349 -0.425 30 20 DBED C#CCN1CCCN(C(=O)CNC(=O)c2ccncc2)CC1 1195925735 HPFTZTANMBNSMB-UHFFFAOYSA-N 300.362 -0.021 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)C[C@H](C)n2ccnc2)C1 1196500309 RLHXTHWYWJDYOX-RRFJBIMHSA-N 320.393 -0.355 30 20 DBED O=C(C#CC1CC1)N1CCCO[C@H](CNCCOCCO)C1 1200453774 ZVGKYNLFTBSAEY-OAHLLOKOSA-N 310.394 -0.384 30 20 DBED N#CCNC[C@H]1CN(C(=O)[C@H]2CCc3nncn3C2)CCCO1 1202127007 XGRZKGUBXLQXIV-STQMWFEESA-N 318.381 -0.429 30 20 DBED CC#CCNC[C@@H]1CN(C(=O)C[C@H]2CC(=O)NC2=O)CCCO1 1202251679 UAHOENIMHUKKBU-CHWSQXEVSA-N 321.377 -0.730 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCN(C(=O)Cn2cccn2)C1 1207298798 OBJZELPXRIAQAR-GFCCVEGCSA-N 304.354 -0.897 30 20 DBED CNC(=O)NCCC(=O)N1CCC[C@H](NCC#CCOC)C1 1207989160 GSCMCISRSZTJJW-ZDUSSCGKSA-N 310.398 -0.464 30 20 DBED C=CCCCN[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@H]1C 1215965019 PKRBSUHIGPXFND-VXGBXAGGSA-N 308.382 -0.059 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)C=C2CCC2)C1 1219445525 KLNNNUJWXGPHQO-YUTCNCBUSA-N 307.394 -0.051 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1220034591 VTIKDMNTWWYKEW-QKMYFLCJSA-N 320.389 -0.779 30 20 DBED C=C(C)C(C)(C)C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@@H]1O 1220124116 VZXQMCIEKGHFPQ-NEPJUHHUSA-N 308.382 -0.610 30 20 DBED CC#CCCCC(=O)N[C@@H]1CN(Cc2cnn(C)n2)C[C@@H]1O 1220175655 DEFAGGYUZXTDNQ-KGLIPLIRSA-N 305.382 -0.330 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)CC2=CCOCC2)C1 1220280753 UCYXPQLLTNNYBM-CABCVRRESA-N 308.378 -0.466 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)[C@@H](C)CS(C)(=O)=O)C1 1221099249 GKNBJLHFUPMIQP-TUAOUCFPSA-N 304.412 -0.596 30 20 DBED COCC#CCN1CCC(NC(=O)[C@H]2CC[C@H]2C(N)=O)CC1 1228589636 XDGDDNRUBNCAEC-KGLIPLIRSA-N 307.394 -0.272 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)[C@@H](CC)NC(C)=O)CC1 1229314280 NXINDKVWCPIECZ-CQSZACIVSA-N 324.425 -0.216 30 20 DBED N#CCCCCS(=O)(=O)NC[C@@H](O)CN1CCCC1=O 1253479069 RAGDEOWOIFLMLF-LLVKDONJSA-N 303.384 -0.417 30 20 DBED NC(=O)CN1CCC(NC(=O)c2cccc(C#CCO)c2)CC1 1262184228 YZFDQBKHOSOQNZ-UHFFFAOYSA-N 315.373 -0.290 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)Cc2nc3ncccn3n2)C1=O 1321197501 HSTXWSNSFUPEIY-NSHDSACASA-N 314.349 -0.088 30 20 DBED CN(C)c1nccc(CNC(=O)C(=O)N2CC[C@](F)(C#N)C2)n1 1323434873 IGFKEJWMCCESIS-AWEZNQCLSA-N 320.328 -0.377 30 20 DBED N#Cc1ncn(CCNC(=O)CCCCN2CCOCC2)n1 1323520451 FDIBOOHVVAGYDR-UHFFFAOYSA-N 306.370 -0.232 30 20 DBED N#CCCCC(=O)N1CCN(S(=O)(=O)c2nc[nH]n2)CC1 1326009290 CJKGISZNGSXKSY-UHFFFAOYSA-N 312.355 -0.669 30 20 DBED C[C@H](CS(C)(=O)=O)N(C)C(=O)C(=O)Nc1cccc(C#N)n1 1326077930 SVGZWGRKFNPTKY-SECBINFHSA-N 324.362 -0.217 30 20 DBED CN(CCn1cccn1)C(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1326250681 UIYNQECEKIUBJY-AWEZNQCLSA-N 305.338 -0.781 30 20 DBED N#Cc1ccc(NCCNC(=O)C(=O)NCCOCCF)nc1 1328647377 DYLJVZNYMNZPTC-UHFFFAOYSA-N 323.328 -0.416 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N[C@@H](C)c1ncn(C)n1 1330306247 PJPAWFYWMQGGHE-QWRGUYRKSA-N 307.354 -0.463 30 20 DBED C#CCN(CC(=O)NCc1nc(=O)o[nH]1)C(=O)OC(C)(C)C 1331154006 VUBFJGOPQKQBPS-UHFFFAOYSA-N 310.310 -0.151 30 20 DBED CCN1CCN(CCCNC(=O)Cn2cnc(C#N)n2)CC1 1333692531 LAMVSODHDIAWFU-UHFFFAOYSA-N 305.386 -0.706 30 20 DBED C#CCN(CC)c1nnc(C2=NNC(=O)C2)n1C[C@H]1CCOC1 1344221852 NEBYJPKRXBWBPO-LLVKDONJSA-N 316.365 -0.002 30 20 DBED Cc1cc(NC(=O)C(=O)NC[C@](C)(O)CN(C)C)ncc1C#N 1346457058 FJRFEOGCCJBPSU-HNNXBMFYSA-N 319.365 -0.371 30 20 DBED Cn1ccnc1C(=O)[C@H](C#N)C(=O)CCn1ncn(C)c1=O 1347203244 JAPDTLYIZYWLOO-SECBINFHSA-N 302.294 -0.703 30 20 DBED C#CCOCCNC(=O)C(=O)N[C@@H]1CCN(C(C)(C)C)C1=O 1349222257 MPRAPYHRAXUJRE-LLVKDONJSA-N 309.366 -0.732 30 20 DBED N#C[C@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](OCCO)C2)C1 1352978889 RNUYALBENYEOOK-CHWSQXEVSA-N 309.366 -0.252 30 20 DBED CCN1CCCC[C@@H]1CNC(=O)Cn1cc(C#N)c(O)nc1=O 1362082782 MRTBXLAXRMHYOP-GFCCVEGCSA-N 319.365 -0.189 30 20 DBED CS[C@H](CO)[C@H](C)NC(=O)Cn1cc(C#N)c(O)nc1=O 1362295973 MIUACAJYQXWFJL-IONNQARKSA-N 312.351 -0.951 30 20 DBED C[C@@H](C(=O)N1CCC[C@H](NC(=O)N(C)C)C1)n1cnc(C#N)n1 1363024463 QUHWQUVPQJCPIL-QWRGUYRKSA-N 319.369 -0.027 30 20 DBED CN(CC(=O)Nc1n[nH]cc1C#N)S(=O)(=O)c1cccnc1 1363434809 NPLPIAIYKIBILP-UHFFFAOYSA-N 320.334 -0.064 30 20 DBED N#Cc1c[nH]c(=O)n(CCn2cnc(Br)n2)c1=O 1363759127 IJZQIPVOUFDXNI-UHFFFAOYSA-N 311.099 -0.538 30 20 DBED C=C(Cl)CN[C@H](CC)CNC(=O)CN1CCN(C)C(=O)C1 1373771160 QDHDYLVXTKCAIB-GFCCVEGCSA-N 316.833 -0.003 30 20 DBED C[C@H](C#N)C(=O)N(CCNC(=O)CN1CCOCC1=O)C1CC1 1374253317 DEKAIJXKQBHLSQ-LLVKDONJSA-N 322.365 -0.888 30 20 DBED CCc1cc(C(=O)N(C)C[C@@H](O)CNC(=O)[C@@H](C)C#N)no1 1384243020 NJEOAJUDCDGBJO-UWVGGRQHSA-N 308.338 -0.054 30 20 DBED C[C@H](C#N)C(=O)N(CCNC(=O)[C@@H]1CCNC(=O)C1)C1CC1 1387474796 SZSBNCREDFQNES-GHMZBOCLSA-N 306.366 -0.221 30 20 DBED CNC(=O)NCC(=O)N(C)C[C@H](C)NC(=O)c1ccc(C#N)[nH]1 1395600010 VLZIATBGCXQVHL-VIFPVBQESA-N 320.353 -0.608 30 20 DBED CC(=O)N[C@H](C)C(=O)N1CC(NC(=O)c2cc(C#N)c[nH]2)C1 1398581408 ZWZTTZRGYLRIFW-MRVPVSSYSA-N 303.322 -0.648 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CCN[C@@H](C)C(=O)NC(N)=O)CC1 1405504980 LZDWFCDIQMGOTM-QWRGUYRKSA-N 323.397 -0.052 30 20 DBED Cc1nn(C)cc1CC(=O)N(C)C[C@@H](O)CNC(=O)[C@H](C)C#N 1405622568 TZHWZWGIUBTFGK-MFKMUULPSA-N 321.381 -0.634 30 20 DBED Cc1nc(CC(=O)N(C)C[C@@H]2CCN2C(=O)[C@H](C)C#N)n[nH]1 1406475556 QGQWZCBJPZYMBJ-KOLCDFICSA-N 304.354 -0.125 30 20 DBED COc1cc(OC)nc(C(=O)NCCN(C)C(=O)[C@H](C)C#N)n1 1408617289 NNKDUCCFUUTAOK-SECBINFHSA-N 321.337 -0.158 30 20 DBED CC(C)n1ccc(CC(=O)NC[C@H](O)CNC(=O)[C@@H](C)C#N)n1 1410150921 MNXUTEMSJMMYAS-AAEUAGOBSA-N 321.381 -0.241 30 20 DBED COC(=O)c1cn(CC(=O)NCc2ccnc(C#N)c2)nn1 1412916613 MQBXIOWRSZKSQJ-UHFFFAOYSA-N 300.278 -0.352 30 20 DBED CC(C)c1nnnn1CC(=O)NCC[C@@H](C)NC(=O)[C@H](C)C#N 1415392440 LLJZVIMDXQXITD-GHMZBOCLSA-N 321.385 -0.033 30 20 DBED CSc1nc(O)c(C(=O)N2C[C@@H](O)C[C@H]2CO)cc1C#N 1417717298 PRAIWOKJMJNPOO-IUCAKERBSA-N 309.347 -0.052 30 20 DBED C[C@H](C#N)C(=O)NCC1CN(CC(=O)Nc2nncs2)C1 1419011036 QULBUDHTZKPIBV-MRVPVSSYSA-N 308.367 -0.316 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CN(C)C(=O)Cc1cccnc1 1425793978 YSNRGDZOSWDLJD-AAEUAGOBSA-N 304.350 -0.281 30 20 DBED CCN(CCC#N)C(=O)CN1CC[C@@H]1CNC(=O)[C@H](O)C(C)C 1439527457 PBMMRCJEWZWQGL-UKRRQHHQSA-N 324.425 -0.044 30 20 DBED CCN(CCC#N)C(=O)CN(C)CCNC(=O)c1ccnnc1 1442546274 WOGDXXSXVCCKAF-UHFFFAOYSA-N 318.381 -0.100 30 20 DBED Cc1nnc2n1C[C@H](C(=O)NCCn1cnc(C#N)n1)CC2 1449131107 PGNPGEHFKZEIRT-SNVBAGLBSA-N 300.326 -0.572 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H]1CNC(=O)CCS(C)(=O)=O 1455741850 VZHFNBMZLLDVAA-MNOVXSKESA-N 315.395 -0.312 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)c2nccc(C)n2)C1 1480109056 HSGJCACCEHFDCQ-LBPRGKRZSA-N 303.366 -0.109 30 20 DBED Cc1noc(CCCN2CC(O)(CNC(=O)[C@@H](C)C#N)C2)n1 1484263834 FQHWYRSDKOLDQI-JTQLQIEISA-N 307.354 -0.367 30 20 DBED CN1CCC[C@H]1C(=O)NC[C@@H](O)CNC(=O)c1ccc(C#N)[nH]1 1501463168 MQOSZCHIFOMFQS-AAEUAGOBSA-N 319.365 -0.813 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CCN(CCOCCO)C2)nc1 1566679600 ZFQAPTJBGZEBRG-CQSZACIVSA-N 303.362 -0.124 30 20 DBED C#CCCCC(=O)NC[C@H]1[C@@H]2CN(C(=O)CNC(=O)O)C[C@H]12 1573304216 ZYJGYLKFORVKEJ-CNDDSTCGSA-N 307.350 -0.122 30 20 DBED C[C@](C#N)(CC(=O)O)C(=O)N1CC[C@H](CNS(C)(=O)=O)C1 1573359899 LQQZEYWKHUMFQH-BXKDBHETSA-N 317.367 -0.611 30 20 DBED C=CCOC[C@@H](NC(=O)c1ccccc1OCC(N)=O)C(=O)O 1573368179 BJELISLHYZJVFW-LLVKDONJSA-N 322.317 -0.064 30 20 DBED CC#CC[C@H](N)C(=O)N[C@H](CO)C(=O)OCc1ccccc1 1574973517 WLRUKQBRFCDWPB-UONOGXRCSA-N 304.346 -0.052 30 20 DBED CNC(=O)[C@@H]1CCC[C@H]1Nc1cnc(-c2nn[nH]n2)c(C#N)n1 1579387040 SQTWYDXCWWIRJM-HTQZYQBOSA-N 313.325 -0.145 30 20 DBED N#Cc1nc(N2CCc3ncnc(O)c3C2)cnc1-c1nn[nH]n1 1581879535 OOQAYTGOSDVLQJ-UHFFFAOYSA-N 322.292 -0.413 30 20 DBED C=CCn1c(C[C@H](C)O)nnc1N1C[C@@H]2COC[C@]2(C(=O)O)C1 1588472894 SMWTXBIYVOKJKC-FIXISWKDSA-N 322.365 -0.075 30 20 DBED C=CCOC[C@H](NC(=O)[C@@H](c1cncn1C)N(C)C)C(=O)O 1588855365 FNPQIHCWOAZDRE-CMPLNLGQSA-N 310.354 -0.205 30 20 DBED C=CCOC[C@@H](NC(=O)c1ccc2c(c1)COB2O)C(=O)O 1588861582 IEPYORLOYNQWNP-GFCCVEGCSA-N 305.095 -0.710 30 20 DBED Cc1c(C#N)c(NC(=O)CN2CCC[C@@H](C(=O)O)C2=O)nn1C 1599973535 YLHXAHDNQCEPBB-SECBINFHSA-N 319.321 -0.138 30 20 DBED C[C@](C#N)(CC(=O)O)C(=O)N1CCN([S@](C)(=N)=O)CC1 1602780528 IJDRGJCHMOXFLT-GIPWTMENSA-N 302.356 -0.273 30 20 DBED C[C@@H](C#N)N(C(=O)[C@@H](C)n1cnc(-c2nn[nH]n2)n1)C1CC1 1602989190 PUSCGWNAQGWIIA-JGVFFNPUSA-N 301.314 -0.078 30 20 DBED COC(=O)C1=NO[C@@H](Cn2cnc(C#N)c2-c2nn[nH]n2)C1 1604922221 VCYWCTCHBQKJPP-ZCFIWIBFSA-N 302.254 -0.747 30 20 DBED COC(=O)c1cc(-c2nn[nH]n2)c(=O)n(CCO[C@@H](C)C#N)c1 1604963843 AOCXMCFABJIENZ-QMMMGPOBSA-N 318.293 -0.256 30 20 DBED CC(=O)N[C@@H]1CCCN(C(=O)Cn2cncc(C#N)c2=O)C1 1645788114 UHQMJXQVSWUYCS-GFCCVEGCSA-N 303.322 -0.758 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H](C)CCNC(=O)c1cn(C)nn1 1700323144 RJCUNZWIVNBDCN-WDEREUQCSA-N 308.386 -0.396 30 20 DBED COCC#CCN(C)CCCNC(=O)CN1CCCNC1=O 1752008093 FMEUVZJCHSSVLQ-UHFFFAOYSA-N 310.398 -0.510 30 20 DBED COCC#CCN[C@H]1C[C@H](NC(=O)C(C)(C)S(C)(=O)=O)C1 1752669679 PJUINBDNVDPPDB-HAQNSBGRSA-N 316.423 -0.304 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC[C@@H]1CNC(=O)CNC(=O)OC 1753099310 RMVMGDWVIIUWSP-NWDGAFQWSA-N 324.381 -0.939 30 20 DBED C=CCNC(=O)CN1CC[C@H](CNC(=O)Cn2nccc2C)C1 1753135819 POIWBJBKNURVKV-CQSZACIVSA-N 319.409 -0.068 30 20 DBED CCCN(C(=O)c1cc[nH]n1)[C@@H]1CCN(CC(=O)NCC#N)C1 1753313514 QMBUJVQORVINPD-GFCCVEGCSA-N 318.381 -0.024 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C[C@H]1CN2C(=O)CCc1cnc[nH]1 1753421368 HJTBJUZRWPOBFM-KBPBESRZSA-N 315.377 -0.623 30 20 DBED C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)C[C@H](NC(C)=O)C(N)=O 1753425140 KCRHAWMTVCIQNC-AVGNSLFASA-N 308.382 -0.772 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)CCOC)CC[C@H]21 1753887987 ZJORSKUGXOTQFF-ZIAGYGMSSA-N 307.394 -0.305 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@H](O)CNCc1cc(C)n(C)n1 1753909578 JCXVXZYVBYCUSG-HIFRSBDPSA-N 310.398 -0.378 30 20 DBED C#CCNC(=O)CNCC[C@H](C)NC(=O)[C@H]1CCNC(=O)CC1 1753996355 GNPBLJPTNOSDHT-QWHCGFSZSA-N 322.409 -0.864 30 20 DBED C#CCNC(=O)CNCCN(CC)C(=O)[C@@]1(CC)CCNC1=O 1754050728 JISLVQAOZBAYBQ-INIZCTEOSA-N 322.409 -0.910 30 20 DBED C#CCNC(=O)CNC[C@@H](NC(=O)c1cn(CC)cn1)C1CC1 1754457283 JVXAPIXFDUIMMP-CYBMUJFWSA-N 317.393 -0.250 30 20 DBED N#CCNCC1CC(NC(=O)CCCN2C(=O)CNC2=O)C1 1755219894 CXMZVFDXDBBUFW-UHFFFAOYSA-N 307.354 -0.674 30 20 DBED C=CCOCC(=O)N[C@H](C)C1CN(C(=O)[C@H]2CCC(=O)N2)C1 1756129745 GWWCCQDZLHUNGF-ZYHUDNBSSA-N 309.366 -0.569 30 20 DBED CNC(=O)CC(=O)N1C[C@H]2CC[C@H]1CN2C(=O)CSCC#N 1756163256 SLAMGGIVIRAWSG-WDEREUQCSA-N 324.406 -0.419 30 20 DBED C=CCC1(C(=O)NC[C@@H](CO)NC(=O)c2ncn(C)n2)CCC1 1756549213 VBVPWPNWUNFLFD-NSHDSACASA-N 321.381 -0.232 30 20 DBED C#CCOc1ncccc1C(=O)NC[C@@H](O)CN(C)C(C)=O 1756650156 DAMDHDFUZAOJOT-GFCCVEGCSA-N 305.334 -0.337 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1CN(C(=O)CCc2cnn[nH]2)C[C@H]1O 1757022417 RMZLVBQNXLUOAL-VXGBXAGGSA-N 321.381 -0.363 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H]1CN(C)C(=O)c1ccon1 1757275830 CHZZZMUMNGFHPB-LLVKDONJSA-N 318.333 -0.513 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)Cn1ccc(C)n1)CCO2 1783048246 ULSDJXQPESBTEN-INIZCTEOSA-N 316.361 -0.345 30 20 DBED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ncnn3C)[C@H]2C1 1785852812 QWIJAWXEZNPJLK-SRVKXCTJSA-N 317.349 -0.958 30 20 DBED C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](CC)NC(N)=O 1796761938 HVYRSRFFIWZOSF-USZNOCQGSA-N 306.366 -0.295 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)n1cccn1 1801387889 LHHTUSOFKJHVKL-XPCVCDNBSA-N 316.361 -0.333 30 20 DBED O=C(O)C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C(F)F)C2 1801986792 GEZDLDORTHAHOT-AYMMMOKOSA-N 300.261 -0.022 30 20 DBED N#CCC(=O)N1CC2(CCCN2C(=O)c2ccc(O)nn2)C1 1842338476 KGLLUJZEMIYBMU-UHFFFAOYSA-N 301.306 -0.087 30 20 DBED C#CC(=O)N1CCCC12CN(C(=O)CCc1ccc(O)nn1)C2 1845960385 XLSQRWDHCCFTRN-UHFFFAOYSA-N 314.345 -0.049 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)CN1C(=O)c2ccccc2C1=O 22747629 HKVHVEJFCCPWPP-JTQLQIEISA-N 314.297 -0.036 30 20 DBED C=CCN(C(=O)CCNS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 49318038 OLKGZAXNXRHTCB-SNVBAGLBSA-N 324.424 -0.873 30 20 DBED CN(C)CCN1C[C@H](C(=O)N[C@@]2(C#N)CCSC2)CC1=O 81024319 HBCOSGDNGBOUKV-BXUZGUMPSA-N 310.423 -0.088 30 20 DBED C/N=C(/NCCS(C)(=O)=O)N[C@@H]1CN(C2CC2)C[C@@H]1C 261965363 LJRDJLOUIGBYCT-CMPLNLGQSA-N 302.444 -0.321 30 20 DBED N/C(=N/CCN1CCOCC1)N1CCN(c2ncccn2)CC1 263265864 VBEOJRNJDPDANI-UHFFFAOYSA-N 319.413 -0.755 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@H](C)n2cccn2)CC1 264989079 JPKFPSDVOKCVLS-AWEZNQCLSA-N 317.393 -0.272 30 20 DBED N#CC1(CS(=O)(=O)N2CC[C@@](CC(=O)O)(C(=O)O)C2)CC1 275169680 VDGGWBPDZIQVAO-LBPRGKRZSA-N 316.335 -0.129 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)[C@H](NC(=O)C2CC2)[C@H](C)O)C1=O 281695755 LSJXCIDGNMCRSC-WCFLWFBJSA-N 323.393 -0.493 30 20 DBED C#CCN(CC#N)C(=O)CNC(=O)CNC(=O)OC(C)(C)C 281897237 FGRVVRHGRVFOMH-UHFFFAOYSA-N 308.338 -0.387 30 20 DBED N#Cc1ccc(CS(=O)(=O)NCCN2C(=O)CNC2=O)cc1 288450009 VDXHTVTZJSOOQU-UHFFFAOYSA-N 322.346 -0.471 30 20 DBED C=C[C@H](CO)NC(=O)CNS(=O)(=O)c1c(C)noc1C 290593522 MNORODJCLCAXOQ-SECBINFHSA-N 303.340 -0.767 30 20 DBED Cn1cc(S(=O)(=O)N[C@@]2(C#N)CC2(C)C)c(=O)n(C)c1=O 291039885 ZUDCKJWBIRKKBW-GFCCVEGCSA-N 312.351 -0.945 30 20 DBED CC(C)[C@H](C/N=C(/O)N(C)[C@@H]1COC[C@H]1O)N1CCOCC1 329495465 WZNDYWQZIFBLCW-BFHYXJOUSA-N 315.414 -0.051 30 20 DBED COC(=O)[C@@H](O)CNS(=O)(=O)CC1(C#N)CCCCC1 330877330 KPBLWBAQQRZGDO-JTQLQIEISA-N 304.368 -0.086 30 20 DBED COC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)N(C)[C@H](C)CC#N 337977403 HIGUHXMLZAGFCE-BBBLOLIVSA-N 305.356 -0.927 30 20 DBED C[C@H]1C(=O)N(C)CCN1C(=O)C(=O)Nc1ccc(C#N)cn1 340316381 FCOAWADKQHWUGI-VIFPVBQESA-N 301.306 -0.419 30 20 DBED Cc1nn(C)c(C)c1-c1cc(C(=O)NCC(=O)NCC#N)n[nH]1 343522899 KSLAVHZGVDWIIN-UHFFFAOYSA-N 315.337 -0.203 30 20 DBED C=C[C@H](CO)NC(=O)C(=O)Nc1cc(C(=O)NC)ccc1OC 354653407 AUXXGEWDEQQTLR-SNVBAGLBSA-N 321.333 -0.344 30 20 DBED CNC(=O)[C@H](CO)NS(=O)(=O)c1ccc(C#N)c(Cl)c1 358896036 XLBHSWMIHULZSE-JTQLQIEISA-N 317.754 -0.403 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N[C@@H]2CNCC[C@@H]2C)nn1 424545249 LNHXXHHGTWKDMN-CMPLNLGQSA-N 306.370 -0.806 30 20 DBED CO[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)[C@@H](CN)C1 424551310 VDFMTNSMGGIHSE-UMSGYPCISA-N 308.382 -0.240 30 20 DBED C=C[C@H](CO)NC(=O)c1cc(S(=O)(=O)NC(C)C)c[nH]1 426847751 IEWUELTXXNHITD-SECBINFHSA-N 301.368 -0.022 30 20 DBED Cc1cccc(NC(=O)C(=O)NC[C@@H](O)CN(C)C)c1C#N 441595586 XVRUBKUSVQCSJM-LLVKDONJSA-N 304.350 -0.156 30 20 DBED N#Cc1ccc(C(=O)N2CCN(S(N)(=O)=O)CC2)cc1O 442652390 NUOYVRICWRXXBL-UHFFFAOYSA-N 310.335 -0.775 30 20 DBED C#CCN(C)C(=O)C(=O)Nc1cc(S(=O)(=O)NC)ccc1C 491202801 QBEVAOVKNFRDLY-UHFFFAOYSA-N 323.374 -0.067 30 20 DBED CC#CC[C@@H](CO)NS(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] 592111339 IGWQEWLTKOQMBE-VIFPVBQESA-N 316.339 -0.136 30 20 DBED N#CCCN1CCN(C(=O)C(=O)NCc2ccc(F)cn2)CC1 602249494 VJWLJYZAKLBZIG-UHFFFAOYSA-N 319.340 -0.105 30 20 DBED C=CCN(CC=C)C(=O)C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1OC 612195188 CQKCXVUXZZADAI-GHMZBOCLSA-N 316.379 -0.885 30 20 DBED Cn1nnc(Br)c1C(=O)N1CCOC[C@H]1C#N 700187332 YFDNCGIZGQAMQM-ZCFIWIBFSA-N 300.116 -0.058 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@H](C)OCC2CC2)CC1 728531934 MMSHTIKPMUIYLW-ZDUSSCGKSA-N 307.394 -0.305 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCCN(CC(=O)NCC)CC1 730097286 NTMAZBYTGPSTDN-HNNXBMFYSA-N 320.437 -0.246 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)[C@H](CO)NC(=O)c1ccccc1 744829405 OBSCZESYIGFEPQ-AAEUAGOBSA-N 318.329 -0.542 30 20 DBED N#Cc1c[nH]nc1NC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 752392039 YHQKDABOLKEREO-UHFFFAOYSA-N 318.318 -0.283 30 20 DBED C=C(CC)COC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 773436500 NVRRTWDMYKZKRO-UHFFFAOYSA-N 306.322 -0.057 30 20 DBED O=C(C#Cc1ccc2c(c1)OCO2)N1CCN(C(=O)CO)CC1 778400686 DJJAYUKUWHZIIZ-UHFFFAOYSA-N 316.313 -0.570 30 20 DBED C=CCN1CC[C@@H](N2CCCC[C@@H]2CS(N)(=O)=O)C1=O 820478025 DJEZWUMRDVFSBP-VXGBXAGGSA-N 301.412 -0.084 30 20 DBED C#CC[C@@H](NS(=O)(=O)c1ccc(C(=O)OC)o1)C(=O)OC 841539627 DCVVEFOOOCEQMO-MRVPVSSYSA-N 315.303 -0.091 30 20 DBED COCCCNC(=O)[C@@H](C#N)C(=O)Cc1nnn(C(C)(C)C)n1 850753067 XDYXEFPOTSJUSO-JTQLQIEISA-N 322.369 -0.168 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)NCCc1ccnn1C 875307703 PQIJRUNRVYQFOC-GFCCVEGCSA-N 306.366 -0.377 30 20 DBED COc1ccc(CNC(=O)/C=C/C(=O)NCC#CCO)cc1 908032512 OGLOXJRMVNXJRL-CMDGGOBGSA-N 302.330 -0.021 30 20 DBED Cn1cnc(C(=O)N2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)n1 937845136 RQHMTBJBUNAGFC-JTQLQIEISA-N 313.321 -0.341 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)c2cnc3n2CCOC3)C1 938179589 AINBLYNOMPDSCY-QWRGUYRKSA-N 317.349 -0.096 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](NC(=O)CN2C(=O)CCC2=O)C1 940362725 XOCIVKDCOHIVPW-VHSXEESVSA-N 306.322 -0.988 30 20 DBED CCn1cc(CC(=O)N[C@@H]2CCN(C(=O)[C@H](C)C#N)C2)nn1 942090004 DKUPBEYULXUCHL-GHMZBOCLSA-N 304.354 -0.283 30 20 DBED CO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1NC(=O)c1cncn1C 942578508 DJTCNFUXZMIJRK-CKYFFXLPSA-N 305.338 -0.465 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(N(C)C(=O)[C@H]2CN(C)CCO2)CC1 953831206 MALJKQGALFKJPE-GXTWGEPZSA-N 322.409 -0.074 30 20 DBED C=CCn1cc(C(=O)NC2(C)CCN(C(=O)C(N)=O)CC2)nn1 956376185 QEBMSXAPZSYYBS-UHFFFAOYSA-N 320.353 -0.940 30 20 DBED C[C@@]1(NC(=O)[C@@H]2COCCO2)CCN(C(=O)C#CC2CC2)C1 956720263 ZCCIVDADXXJGFQ-XJKSGUPXSA-N 306.362 -0.078 30 20 DBED C=CCCN1C[C@H](O)[C@H](CNC(=O)c2cc3n(n2)CCO3)C1 958135663 QNHZLAIAFMLFKX-YPMHNXCESA-N 306.366 -0.126 30 20 DBED Cn1cc(C(=O)NC[C@H]2CN(CC#N)C[C@@H]2O)c(C(F)F)n1 958145721 QBJQLFJRVSPUOF-WPRPVWTQSA-N 313.308 -0.096 30 20 DBED N#CCN1C[C@@H](O)[C@H](CNC(=O)c2cc3c(cn2)OCCO3)C1 958149088 NAZIDBQCUVLJAX-ZYHUDNBSSA-N 318.333 -0.601 30 20 DBED CC#CCN1C[C@H](O)[C@H](CNC(=O)c2n[nH]c3c2CCC3)C1 958210615 OXNOEOSVQBPXHV-RISCZKNCSA-N 302.378 -0.056 30 20 DBED Cc1cc(=O)oc(C)c1C(=O)NC[C@H]1CN(CC#N)C[C@@H]1O 958242985 GSXGZOVZHXKULK-RYUDHWBXSA-N 305.334 -0.197 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](NC(=O)CN2C(=O)CCC2=O)[C@H](C)C1 958376305 JXPZRJANCFVKBR-GMTAPVOTSA-N 320.349 -0.742 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)C2CCN(C(C)=O)CC2)C1 958657346 HEQRQUVWGMAXGO-HUUCEWRRSA-N 307.394 -0.713 30 20 DBED C#CCCN1C[C@H](CNC(=O)c2ccc(C(N)=O)cc2)[C@@H](O)C1 958661472 KTZYKIZXGGAYPA-GJZGRUSLSA-N 315.373 -0.169 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CN(C(=O)c3nccnc3N)C[C@H]2C1 961201935 JNATZWGGAJDUCO-MXWKQRLJSA-N 314.349 -0.251 30 20 DBED Cc1nn(C)c(=O)c(C(=O)NC2[C@@H]3CN(CC#N)C[C@@H]23)c1C 961430502 VAURSDAEJTYJCV-GHMZBOCLSA-N 301.350 -0.419 30 20 DBED C[C@H](C#N)C(=O)N1CC2(C[C@@H](NC(=O)Cc3cnc[nH]3)CO2)C1 965835614 HPRAFHUADKFRNX-ZYHUDNBSSA-N 317.349 -0.402 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)CC(N)=O)C[C@@H]2CC1 967381078 KCOURFWHNGORDC-UTUOFQBUSA-N 306.366 -0.282 30 20 DBED O=C1CC[C@@H](C(=O)N2[C@H]3CC[C@H]2CN(C(=O)C#CC2CC2)C3)N1 969501885 YYOMXVUQBADBLZ-IHRRRGAJSA-N 315.373 -0.120 30 20 DBED N#CCN1CCO[C@@]2(CCN(C(=O)C[C@H]3CCC(=O)N3)C2)C1 972593067 MCUBNGNMBWZRKP-DOMZBBRYSA-N 306.366 -0.518 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)c3nc[nH]n3)C2)cn1 974344638 HMBCLFIYJRYDLQ-TXEJJXNPSA-N 310.317 -0.128 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)c3nnn(C)n3)[C@@H]2C1 974812026 UPXANGNZLXORJN-IVZWLZJFSA-N 303.326 -0.957 30 20 DBED CN(C[C@@H]1CCN1C(=O)c1nc[nH]n1)C(=O)c1c[nH]c(C#N)c1 977584624 LZJZJWWGTCJQJC-NSHDSACASA-N 313.321 -0.009 30 20 DBED C#CCN[C@H]1CCC[C@H](NC(=O)CN2CCN(C)C(=O)C2)C1 981181957 OMOUUSZJLCXJMX-KBPBESRZSA-N 306.410 -0.589 30 20 DBED COC(=O)[C@@H]1C[C@H]1C(=O)N1CC(NC(=O)c2ccc(C#N)[nH]2)C1 990891344 YTECPPCQIRYMCN-GHMZBOCLSA-N 316.317 -0.364 30 20 DBED C=CCCn1cc(C(=O)N2CC[C@H](NC(C)=O)[C@@H](O)C2)nn1 991176333 WAKWNHKNCVENNH-AAEUAGOBSA-N 307.354 -0.434 30 20 DBED C=CCN1CC[C@]2(NC(=O)Cn3ncn(C)c3=O)CCC[C@H]12 991477151 XBZZXTPXFWUWEB-SWLSCSKDSA-N 305.382 -0.119 30 20 DBED N#CCN[C@@H]1CCC[C@H]2CN(C(=O)Cn3cnnc3O)C[C@@H]21 992699357 SUOHJWHNWCCPBL-SDDRHHMPSA-N 304.354 -0.276 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC(NC(=O)C[C@H]3CCNC3=O)C2)c1 993450056 PKJYRWAXVRXBDC-SNVBAGLBSA-N 315.333 -0.647 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)[C@H]2CCc3nncn3C2)C1 993845063 MIGWMJRVQBUKTD-UWVGGRQHSA-N 302.338 -0.673 30 20 DBED N#CCN[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 999146815 XWTBVGBMHSLDCC-RYUDHWBXSA-N 316.365 -0.133 30 20 DBED CN(C(=O)Cn1[nH]cc2c(=O)ncnc1-2)C1CC(NCC#N)C1 999566945 PLFXLKMOXOIOPW-UHFFFAOYSA-N 315.337 -0.826 30 20 DBED CC#CCN1CC[C@H](n2cc(CNC(=O)c3cnn[nH]3)nn2)C1 1000002625 KRAZKPYEQDLWJY-LBPRGKRZSA-N 314.353 -0.404 30 20 DBED N#CCN1CCC(CNC(=O)c2cc(=O)n3[nH]cnc3n2)CC1 1002047350 XLEFZXRHBBETQK-UHFFFAOYSA-N 315.337 -0.617 30 20 DBED NC(=O)CC(=O)N1CCO[C@@]2(CCN(C(=O)C#CC3CC3)C2)C1 1007653282 HBLHIQJEEHEEKC-MRXNPFEDSA-N 319.361 -0.895 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](NC(=O)c2cn(C)nn2)C(C)(C)C1 1008102129 GFDHGRKPOIXUEB-MWLCHTKSSA-N 304.354 -0.058 30 20 DBED C=CCN1CCC[C@H](NC(=O)C2CC3(C2)NC(=O)NC3=O)C1 1008846555 OSVFRJSJCPQAJO-VTWZXRTESA-N 306.366 -0.259 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H]2CCN([C@@H]3CCCNC3=O)C2)c1 1010458903 VFLOQXIYLAWFOS-WCQYABFASA-N 301.350 -0.031 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C(=O)c2cn3c(n2)COCC3)CC1 1011325471 BOMVARKSMUBYMV-LLVKDONJSA-N 317.349 -0.143 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C(=O)[C@@H]2CCc3nn[nH]c3C2)CC1 1011635072 DZFWVNYNLIZLFA-WDEREUQCSA-N 316.365 -0.260 30 20 DBED C=CCN1CC[C@H](NC(=O)C2(n3cnnn3)CCOCC2)C1 1015823592 UNNCDLSRCBGOEH-LBPRGKRZSA-N 306.370 -0.445 30 20 DBED C=CCN1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)C(=O)N(C)C1=O 1018028180 QGFBVIHHECPAAC-PHIMTYICSA-N 320.349 -0.732 30 20 DBED N#Cc1ccc(C(=O)N2CC3(CCN(C(=O)CC(N)=O)C3)C2)[nH]1 1018950734 LLPZXLMXESWRSK-UHFFFAOYSA-N 315.333 -0.564 30 20 DBED C=CCN[C@H]1C[C@H](NC(=O)Cn2nc3n(c2=O)CCCC3)C1 1020889424 ATQKYIDMDWKPJV-HAQNSBGRSA-N 305.382 -0.196 30 20 DBED C=CCN[C@@H]1CC[C@@H]2CN(C(=O)CN3C(=O)CN(C)C3=O)C[C@@H]21 1026415802 LUPJTPIDHVPXMO-FRRDWIJNSA-N 320.393 -0.107 30 20 DBED CC#CCN1[C@H]2CC[C@H]1CN(C(=O)C[C@H]1CC(=O)NC1=O)C2 1029611458 RKPHFOQMEJSGSM-AGIUHOORSA-N 303.362 -0.262 30 20 DBED C=CCn1cc(C(=O)NC2CN(CC(=O)NC3CC3)C2)nn1 1031070295 XHKRMRSYJOGSBM-UHFFFAOYSA-N 304.354 -0.843 30 20 DBED C=CCN1CC(CNC(=O)c2ccc(=O)n(CCOC)n2)C1 1031829853 GVJKHNLQRWEOLW-UHFFFAOYSA-N 306.366 -0.263 30 20 DBED C=CCN1CC[C@H](N2CC(CNC(=O)c3ccncn3)C2)C1=O 1032060559 VYLFDZSVYNTZRR-AWEZNQCLSA-N 315.377 -0.075 30 20 DBED CCN(C(=O)[C@@H]1CN(C(C)=O)CCO1)[C@@H]1CCN(CC#N)C1 1034027957 AKOYPSNLGLVMQI-KGLIPLIRSA-N 308.382 -0.320 30 20 DBED C#CCN[C@H]1CC[C@H](NC(=O)c2nccnc2C(N)=O)CC1 1034789997 JKJYEBCJFHKUEW-XYPYZODXSA-N 301.350 -0.161 30 20 DBED C#CCN1CCO[C@H](CNC(=O)[C@@H]2CN3CC4CC3(CO2)C4)C1 1035445790 GJTKSUUXVRXDDM-DGNOSDGRSA-N 319.405 -0.700 30 20 DBED C=CCN1CC[C@@H]2CN(C(=O)Cn3cnc(C(N)=O)n3)CC[C@@H]21 1036720535 WIWCMGWKCWJTCP-NEPJUHHUSA-N 318.381 -0.514 30 20 DBED C#CCOCCC(=O)NC[C@]1(O)CCN(C(=O)[C@H](C)C#N)C1 1039718667 FXSCPJOGBYFBJY-IUODEOHRSA-N 307.350 -0.734 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@]1(O)CCN(C(=O)c2ncc[nH]2)C1 1039720747 DFQPLBVMLZXQPF-IAQYHMDHSA-N 320.349 -0.859 30 20 DBED Cc1ncc(C(=O)NC[C@]2(O)CCN(C(=O)[C@@H](C)C#N)C2)n1C 1040654627 VBNBGVHOIHKACD-ZUZCIYMTSA-N 319.365 -0.419 30 20 DBED C[C@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)CCCN(C)C)C1 1040759514 IYOVJGUFUUTGFD-IUODEOHRSA-N 310.398 -0.433 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)CC[C@@H](C)OC)C1 1042692693 VWPQYNPXUZFZGE-GFCCVEGCSA-N 314.382 -0.306 30 20 DBED O=C(NCC1(O)CN(C(=O)C#CC2CC2)C1)C1=CCOCC1 1042715886 DFMKSLCUHGUVDI-UHFFFAOYSA-N 304.346 -0.564 30 20 DBED C[C@H]1C[C@@H](C(=O)N2CC(O)(CNC(=O)C#CC3CC3)C2)CCO1 1042960688 NBFNUDYQWBZLCF-JSGCOSHPSA-N 320.389 -0.096 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)C2CC(C)C2)C1 1043033055 PXJUSZBWNJFOKU-UHFFFAOYSA-N 308.378 -0.238 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)[C@H]2CC2(F)F)C1 1043040657 VRIAJSKTDZBAFW-NXEZZACHSA-N 316.304 -0.631 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2cc[nH]c2)C1 1043394706 JIKNBXYAGXIGOS-NSHDSACASA-N 307.350 -0.091 30 20 DBED N#Cc1nccc(N2C[C@H](O)[C@H](NC(=O)Cc3ccon3)C2)n1 1043885121 WOQMXOSCDPMPBU-MNOVXSKESA-N 314.305 -0.755 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)Cc2cc[nH]n2)C1 1044455513 FNJOQQVRUAGCOY-UHFFFAOYSA-N 306.366 -0.146 30 20 DBED C#CCN[C@H]1CCN(C(=O)CCn2ncn(C)c2=O)[C@@H](C)C1 1044691216 KUEDQJQXIOGYOR-STQMWFEESA-N 305.382 -0.426 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)C[C@H]2CCCCO2)C1 1045539958 BKBAUCVYYOSRCO-VXGBXAGGSA-N 309.366 -0.205 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)C[C@H]2C[C@@H]2C)C1 1045757367 ACLAKAAFEZTRAY-QWHCGFSZSA-N 308.378 -0.238 30 20 DBED C=C[C@](C)(CC)C(=O)NCC1(O)CN(C(=O)[C@@H]2CCNC2=O)C1 1045782852 LFVBZBDGAOLTBU-IAQYHMDHSA-N 323.393 -0.586 30 20 DBED C#CCCN1CC[C@@H](N2CCN(C(=O)[C@H]3COCCO3)CC2)C1 1046009513 UUAJCRILQIMWFX-HZPDHXFCSA-N 321.421 -0.356 30 20 DBED C=C1CC(C)(C(=O)NCC2(O)CN(C(=O)[C@@H]3COC(=O)N3)C2)C1 1046307416 TXRWOBDOYABDTB-JTQLQIEISA-N 323.349 -0.859 30 20 DBED C[C@@]1(NC(=O)c2cn([C@@H]3CCOC3)nn2)CCN(CC#N)C1 1046756708 BLAXNCTUFQUUBI-BXUZGUMPSA-N 304.354 -0.043 30 20 DBED C=C(C)CN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC(=O)N(CC)C2)C1 1047401624 ZSQNYWRZOHUXOF-IHRRRGAJSA-N 309.410 -0.066 30 20 DBED CNC(=O)CN1C[C@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2C1 1048773385 RWCPAXLPIQXEOV-TXEJJXNPSA-N 301.350 -0.364 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2ncccn2)C1 1049303294 WFJJJCIOASERCG-STQMWFEESA-N 316.361 -0.220 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CCCCN2C)C[C@@H]1O 1049407158 CGTZBUAJWONWJU-XUXIUFHCSA-N 322.409 -0.340 30 20 DBED C=CCC1(C(=O)N(C)[C@H]2CN(C(=O)C(N)=O)C[C@@H]2O)CCC1 1049454345 SHBXDCPMQQYXKG-QWRGUYRKSA-N 309.366 -0.752 30 20 DBED N#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1nccnc1C(N)=O 1049884702 LFGMQMTWROBEMM-QWRGUYRKSA-N 314.349 -0.222 30 20 DBED N#CCN1CCC2(CC1)CN(C(=O)Cn1c(O)nnc1O)C2 1050741533 MEMTZLNUDSOCLH-UHFFFAOYSA-N 306.326 -0.863 30 20 DBED N#CCN1CCOC[C@@H]1CNC(=O)[C@H]1CCc2nncn2C1 1051256696 ZJMVNYMMJVDMCY-RYUDHWBXSA-N 304.354 -0.819 30 20 DBED CN1C(=O)CN(CC(=O)N[C@@H]2CCCN(CC#N)CC2)C1=O 1052863858 VBXWBTMGAQFMEH-LLVKDONJSA-N 307.354 -0.625 30 20 DBED C#CCCN1CC2(CC[C@@H](CNC(=O)[C@@H]3COCCN3C)O2)C1 1053591676 AQDSBFMVZDHKEU-GJZGRUSLSA-N 321.421 -0.310 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)c3cc4n(n3)CCC4)CO2)C1 1053825113 LYFYZFWYOMAHJV-NSHDSACASA-N 301.350 -0.074 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)[C@@H]3CCCN3C(C)=O)CO2)C1 1053987607 QDZLQYYZZDMWSN-CABCVRRESA-N 319.405 -0.020 30 20 DBED Cc1nc(CC(=O)N2CCN(c3ccc(C#N)nn3)CC2)n[nH]1 1055798377 DAKBQKDMDYPPPI-UHFFFAOYSA-N 312.337 -0.334 30 20 DBED N#Cc1cncc(N2CCN(C(=O)C[C@H]3CCNC3=O)CC2)n1 1055923192 BYYAGSSNDQQTEV-LLVKDONJSA-N 314.349 -0.477 30 20 DBED Cc1nonc1C(=O)N[C@]1(CO)CCCN(C(=O)[C@@H](C)C#N)C1 1055998866 WIYVIKHQTKTVTG-LKFCYVNXSA-N 321.337 -0.379 30 20 DBED C[C@@H](C#N)C(=O)N[C@]1(CO)CCCN(C(=O)c2cnn(C)n2)C1 1056097984 YAQIZVRPIKMHEV-IINYFYTJSA-N 320.353 -0.942 30 20 DBED C=C[C@@](C)(O)CC(=O)N(CCO)CCNC(=O)c1ccn(C)c1 1057450724 XLFWMOYMXOGIHZ-MRXNPFEDSA-N 323.393 -0.097 30 20 DBED C=CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)c1cnn(C)c1 1057921466 IIOCVMYYFFHCBA-LBPRGKRZSA-N 324.381 -0.438 30 20 DBED C=C[C@](C)(O)CC(=O)NCCN(CCO)C(=O)Cn1ccnc1 1057996334 GKJAZSNCOJPYCK-HNNXBMFYSA-N 324.381 -0.853 30 20 DBED N#Cc1nccc(N2CCC[C@@H](NC(=O)[C@H]3COC(=O)N3)C2)n1 1058152656 YBNFMGTVNLSSOD-NXEZZACHSA-N 316.321 -0.458 30 20 DBED C=C(C)C[C@H](C)C(=O)N(CCO)CCNC(=O)Cn1cnnn1 1058461893 CACOJOVTDZHGGK-LBPRGKRZSA-N 324.385 -0.788 30 20 DBED Cc1cc(C)n(CC(=O)NCCN(CCO)C(=O)[C@@H](C)C#N)n1 1058660973 MEUAICRBXACGNO-NSHDSACASA-N 321.381 -0.403 30 20 DBED Cc1conc1C(=O)N(CCO)CCNC(=O)C#CC1CC1 1058821239 IUVSOQLZVFEMGZ-UHFFFAOYSA-N 305.334 -0.053 30 20 DBED C[C@]1(C(=O)N[C@H]2C[C@H](Nc3cncc(C#N)n3)C2)CNC(=O)C1 1059355526 SDGSODSEPFFSFP-IQMDTDKHSA-N 314.349 -0.066 30 20 DBED CCOCC(=O)N1CCOC[C@@H]1CNC(=O)c1cc(C#N)c[nH]1 1061465746 VHIZTZOFLWVIPG-LBPRGKRZSA-N 320.349 -0.120 30 20 DBED Cn1cnc(C(=O)NC[C@@H]2CCN(c3cncc(C#N)n3)C2)n1 1061583070 OMZCTUDKPDZRLS-JTQLQIEISA-N 312.337 -0.267 30 20 DBED CCc1nc(C#N)cc(N(C)C[C@@H]2CCN(C(=O)C(N)=O)C2)n1 1062164855 BUDPPASLNQVPDM-JTQLQIEISA-N 316.365 -0.319 30 20 DBED N#Cc1ccc(N2C[C@@H]3C[C@H]2CN3C(=O)CCn2cnnn2)cn1 1062521346 WTTIYNFOFKOIBJ-KBPBESRZSA-N 324.348 -0.180 30 20 DBED Cn1cc(C(=O)NCC2(NC(=O)CSCC#N)CCC2)nn1 1062922707 VUZUHMLGMUBTPE-UHFFFAOYSA-N 322.394 -0.159 30 20 DBED N#Cc1cnc(N2CCO[C@@H](CNC(=O)c3cn[nH]c3)C2)cn1 1063609157 BTGBGLUQDLMQCH-LBPRGKRZSA-N 313.321 -0.293 30 20 DBED Cc1cc(=N[C@@H]2CCN(C(=O)C(N)=O)C[C@H]2C)c(C#N)c[nH]1 1063792705 XPASYENGWMVJSK-BXKDBHETSA-N 301.350 -0.182 30 20 DBED C=CCOCC(=O)N1CCO[C@@H](CNC(=O)c2ncc[nH]2)C1 1064971275 XVXCIHGQMGGVAZ-NSHDSACASA-N 308.338 -0.431 30 20 DBED N#CCSCC(=O)NC[C@@H]1CN(C(=O)c2cocn2)CCO1 1064971448 AXODXLZPWZZXMW-SNVBAGLBSA-N 324.362 -0.111 30 20 DBED C#CCOCCC(=O)N[C@H]1CCCN(C(=O)CC(=O)NC)CC1 1066170033 PBQBHIOZWDBQLU-ZDUSSCGKSA-N 323.393 -0.340 30 20 DBED N#Cc1ccc(N[C@@]2(CO)CCCN(C(=O)CC(N)=O)C2)nc1 1066896193 FGHSJOMJWVPSEH-HNNXBMFYSA-N 317.349 -0.406 30 20 DBED CN(CCCN(C)C(=O)c1c[nH]c(C#N)c1)C(=O)CC(N)=O 1067046385 ZWNHHAKZYMVZAK-UHFFFAOYSA-N 305.338 -0.318 30 20 DBED Cn1ncc(C(=O)NCC2[C@@H]3CN(c4ccnc(C#N)n4)C[C@@H]23)n1 1068178273 UPOAECCNGXWUMI-QWRGUYRKSA-N 324.348 -0.411 30 20 DBED Cn1nnc(C(=O)NCC2[C@@H]3CN(c4ccncc4C#N)C[C@@H]23)n1 1068192172 IWUGXDDLMQVWGY-RYUDHWBXSA-N 324.348 -0.411 30 20 DBED O=C(C#CC1CC1)N[C@@H]1COC2(C1)CN(C(=O)[C@H]1CCOC1)C2 1068860639 OTLPINFRBBKWIY-KBPBESRZSA-N 318.373 -0.078 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1COC2(C1)CN(C(=O)c1csnn1)C2 1069003240 LDLRHLVAGACGGA-BDAKNGLRSA-N 321.362 -0.203 30 20 DBED CC1(C)CN(C(=O)CC(N)=O)C[C@@H]1Nc1nccnc1C#N 1069547087 DLWDSZHGXXFNAZ-JTQLQIEISA-N 302.338 -0.127 30 20 DBED C=CCN1C[C@H]2C[C@@H]3CN(C(=O)C4CN(C(C)=O)C4)C[C@@]3(C1)O2 1070791326 BYCGXJHKQNMYEX-BFYDXBDKSA-N 319.405 -0.048 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)c2ocnc2C)CC1 1070950469 WWDRRVAZXQPAEJ-UHFFFAOYSA-N 304.350 -0.120 30 20 DBED C#CCCN1CCNC(=O)CCN(C(=O)c2cncn2C)CC1 1070978015 WAVMPOUUTWWTIT-UHFFFAOYSA-N 317.393 -0.293 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(C(=O)Cc2cc[nH]n2)C[C@H]1C 1071851546 YYYSHYLTALGDBG-TZMCWYRMSA-N 318.377 -0.045 30 20 DBED C=CCCn1cc(C(=O)N2CC3(CCN(CCO)C3)C2)nn1 1073047495 MSNPRWXIKMKXSQ-UHFFFAOYSA-N 305.382 -0.006 30 20 DBED C=C(Cl)CN1CCCO[C@@H](CNC(=O)[C@H]2CNC(=O)N2)C1 1073752501 YKXXVDHSZMFPQX-WDEREUQCSA-N 316.789 -0.373 30 20 DBED C#CCCN1CCO[C@H]2CCN(C(=O)c3nccnc3N)C[C@@H]21 1074195638 XXBMJPBBQVSMBH-STQMWFEESA-N 315.377 -0.003 30 20 DBED Cn1nnc(CN2C[C@@H]3CCN(C(=O)C#CC4CC4)[C@@H]3C2)n1 1075776492 REZXIKQJIIAKIJ-QWHCGFSZSA-N 300.366 -0.344 30 20 DBED C[C@@H](CCNC(=O)C#CC1CC1)NC(=O)C[C@@H]1NC(=O)NC1=O 1076432489 SLGXVTGAYHRGGO-ONGXEEELSA-N 320.349 -0.991 30 20 DBED C=C(C)CCC(=O)NCC[C@H](C)NC(=O)Cn1ncn(C)c1=O 1076797833 ZTLOCOIGIGFTBN-LBPRGKRZSA-N 323.397 -0.051 30 20 DBED Cc1nonc1CN1C[C@@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 1076855932 SWXVEVWYNFAZBF-CHWSQXEVSA-N 316.321 -0.447 30 20 DBED C=CCO[C@@H](C)C(=O)NCC[C@H](C)NC(=O)[C@H](C)NC(N)=O 1077066717 VVZUONQSNLFZRG-DCAQKATOSA-N 314.386 -0.355 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2[nH]c(C)c(C(N)=O)c2CC)C1 1077128840 HOIOOXUPUFCTDW-VXGBXAGGSA-N 318.377 -0.607 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CN(C(C)C)CCO2)C1 1077566885 RKLVUBMDXUQSPS-RBSFLKMASA-N 309.410 -0.720 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCc3nn[nH]c32)C1 1077585028 OAZAKFXPFAQVBB-RAIGVLPGSA-N 303.366 -0.591 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCCN(C)C2=O)C1 1077995658 KXKKVPDCOCNHJM-BFHYXJOUSA-N 307.394 -0.571 30 20 DBED N#Cc1ccc(CNC[C@H]2CN(C(=O)C(N)=O)CCCO2)cc1 1078456882 JNQQMRXQKHCEPG-AWEZNQCLSA-N 316.361 -0.249 30 20 DBED C=CCOCC(=O)N[C@@H](C)CCNC(=O)c1ccc(=O)n(C)n1 1078562256 DFHVVEFUOQRKNV-NSHDSACASA-N 322.365 -0.393 30 20 DBED CCN(C(=O)C#CC1CC1)C1CN(C(=O)[C@@H]2CCCNC2=O)C1 1079739048 FCJVRWNXVNIMLA-CQSZACIVSA-N 317.389 -0.015 30 20 DBED C#CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)C(C)(C)C(N)=O)C1 1079777227 VOQLYMOAMNTKRF-LLVKDONJSA-N 323.393 -0.405 30 20 DBED CC(C)(F)C(=O)N1C[C@@H](O)[C@H](CNC(=O)CSCC#N)C1 1081286787 PDMBJTZPUGKJSN-NXEZZACHSA-N 317.386 -0.073 30 20 DBED C=CCCOCC(=O)NC[C@@H]1CN(C(=O)c2cocn2)C[C@@H]1O 1081569408 NZVXLXAMBQBEIH-YPMHNXCESA-N 323.349 -0.184 30 20 DBED CC#CCCCC(=O)NC[C@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1O 1081672362 XINGQQPHZCPIID-RYUDHWBXSA-N 319.365 -0.453 30 20 DBED Cn1ccnc1CN1C[C@H](O)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 1083414738 SOWIALKKQGQTKF-OLZOCXBDSA-N 314.349 -0.405 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)c2ccnc3[nH]nnc23)C1 1083629642 DQPITMKGKDUJFE-ZJUUUORDSA-N 322.756 -0.120 30 20 DBED C#CCN1CC[C@@H]1CN(C)C(=O)c1nc(O)nc(O)c1OC 1085924133 OGYVNFKZFIHYSY-SECBINFHSA-N 306.322 -0.324 30 20 DBED C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 1086212100 BRDGRSBYLCTDNX-AEJSXWLSSA-N 314.773 -0.179 30 20 DBED CC(=O)NCC(=O)N[C@@H](C)C[C@@H](C)N=c1cc[nH]c(C#N)n1 1089210541 FDNOPXWULOQQTG-ZJUUUORDSA-N 304.354 -0.399 30 20 DBED CC(C)N(C)CC(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1O 1090439336 FDGNKVAQGLXQSM-ZIAGYGMSSA-N 317.393 -0.041 30 20 DBED COCCCC(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1091089769 PRMMZYNAYKEIOX-NEPJUHHUSA-N 305.338 -0.559 30 20 DBED CN(C)CCCC(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1091175592 IKZKPBZSFFKXKD-NEPJUHHUSA-N 318.381 -0.644 30 20 DBED CC(C)(C(N)=O)C(=O)NC1[C@@H]2CN(c3ccc(C#N)nn3)C[C@@H]12 1093316353 MYRYNFVGECFVOF-NXEZZACHSA-N 314.349 -0.589 30 20 DBED Cc1cc(=NCCNC(=O)[C@H]2CCNC(=O)C2)c(C#N)c[nH]1 1093546663 LMEQFQXVMMYEBQ-NSHDSACASA-N 301.350 -0.262 30 20 DBED CC(C)c1nnnn1CC(=O)NCCN=c1cc[nH]c(C#N)n1 1094170510 INMVPYWPKAIMSI-UHFFFAOYSA-N 315.341 -0.892 30 20 DBED C#CCN1CCN(C(=O)C(C)(F)F)[C@@H]2CS(=O)(=O)C[C@@H]21 1094598451 INOLJUBGNDJODT-VHSXEESVSA-N 306.334 -0.415 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)C3CN(C(C)=O)C3)CC2=O)C1 1094731159 LKZMEPMHPCZDQH-CYBMUJFWSA-N 320.393 -0.948 30 20 DBED CS(=O)(=O)CCC(=O)NCCCNc1cnc(C#N)cn1 1094876856 FBJZIEFZMJFPIO-UHFFFAOYSA-N 311.367 -0.299 30 20 DBED CN(C)CCOCC(=O)N1CC[C@@H](N=c2cc[nH]cc2C#N)C1 1095048869 QOBUPWUGEQBNHI-CQSZACIVSA-N 317.393 -0.034 30 20 DBED CN(CCCNC(=O)c1cnn(C)c1N)c1cnc(C#N)cn1 1095540138 ATBLDRFWRQDXSX-UHFFFAOYSA-N 314.353 -0.080 30 20 DBED N#Cc1nccnc1N1CC[C@@H](NC(=O)CCn2ccnn2)C1 1096363558 YTVZELRZDOCUBI-LLVKDONJSA-N 312.337 -0.275 30 20 DBED N#Cc1cnc(N2CCC3(CC2)C[C@H]3NC(=O)CC(N)=O)cn1 1096507159 KHYZPBDKSNYDFX-LLVKDONJSA-N 314.349 -0.301 30 20 DBED N#Cc1ccc(N[C@@H](CNC(=O)[C@@H]2CNC(=O)N2)C2CC2)cn1 1096801169 WMEHSRWZIGZQMQ-STQMWFEESA-N 314.349 -0.059 30 20 DBED CNC(=O)NCC(=O)NC[C@H](N=c1cc[nH]c(C#N)n1)C1CC1 1096838090 XNSXFZWYQXSGMC-JTQLQIEISA-N 317.353 -0.994 30 20 DBED CCS(=O)(=O)CC(=O)N1CC[C@H](Nc2cncc(C#N)n2)C1 1096943390 XCDOCVJSRGGESI-JTQLQIEISA-N 323.378 -0.204 30 20 DBED CCCNC(=O)CCC(=O)NC[C@@H](C)N=c1cc[nH]c(C#N)n1 1097965253 VOZFHWFBKTVSFI-LLVKDONJSA-N 318.381 -0.007 30 20 DBED C[C@H](CNC(=O)[C@@H]1CCC(=O)N1C)N=c1cc[nH]c(C#N)n1 1098199878 JIPZLPVCRHQYNK-ZJUUUORDSA-N 302.338 -0.692 30 20 DBED C#CCCN(CCO)C1CCN(C(=O)C[C@H](C)NC(N)=O)CC1 1098368785 HWLUJVCAAHHJDB-ZDUSSCGKSA-N 324.425 -0.258 30 20 DBED COc1nn(C)cc1C(=O)N1CCC(N(CC#N)CCO)CC1 1098446188 KQCKDJWSDBFGFN-UHFFFAOYSA-N 321.381 -0.149 30 20 DBED Cn1cc(C(=O)N[C@]23CCC[C@H]2CN(CC#N)C3)n(C)c1=O 1099178235 GEGGAEHLBGPMFS-NHYWBVRUSA-N 303.366 -0.168 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@H]2COCCN2C)C[C@H]1C(F)(F)F 1099240699 PLEKVBTYODKQJR-IJLUTSLNSA-N 319.327 -0.071 30 20 DBED C#CCN1CC[C@@H](NC(=O)COc2c(C)nn(C)c2C)[C@H](O)C1 1099832899 OHEGHXTWOSUQAT-ZIAGYGMSSA-N 320.393 -0.400 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)c2nocc2C)[C@@H](O)C1 1100064099 IBPBLCGNHIJNMF-RYUDHWBXSA-N 322.365 -0.550 30 20 DBED CC(=O)N1CC(C(=O)NCCN(C)c2ccc(C#N)cn2)C1 1100077621 PMTMFWPXCSNHQT-UHFFFAOYSA-N 301.350 -0.016 30 20 DBED CCc1nc[nH]c1C(=O)N[C@@H]1CCN(CC#CCOC)C[C@H]1O 1100092022 JFVJCQRGMZMMFL-ZIAGYGMSSA-N 320.393 -0.213 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)c2ccsn2)C1 1100434705 ZCICEDAOYVEDAQ-UHFFFAOYSA-N 306.391 -0.010 30 20 DBED Cn1cncc1CC(=O)NCC1CC(NCC(=O)NCC#N)C1 1100872614 BNERZBAMWGNGPM-UHFFFAOYSA-N 318.381 -0.913 30 20 DBED C[C@@H](CC(N)=O)C(=O)NC[C@@H]1CCCN1c1ccnc(C#N)n1 1100886711 OFFAFEYTOWXPKE-QWRGUYRKSA-N 316.365 -0.055 30 20 DBED Cc1cc(=NCCN(C)C(=O)CN2CCOCC2)c(C#N)c[nH]1 1101577415 MXWTVJFRXHYNFI-UHFFFAOYSA-N 317.393 -0.114 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)C[C@@H]1CCNC1=O 1101823301 WKECPGSOWQOSHH-JTQLQIEISA-N 302.338 -0.833 30 20 DBED Cc1cc(C#N)nc(NCCN(C)C(=O)C2(C(N)=O)CC2)n1 1101943768 ITASDANPJWVURI-UHFFFAOYSA-N 302.338 -0.208 30 20 DBED C=CCN1C[C@@H](C)[C@H](CNC(=O)CCn2ncn(C)c2=O)C1 1102185412 ASBUHADHJZFKRK-CHWSQXEVSA-N 307.398 -0.158 30 20 DBED C[C@H](CC(N)=O)C(=O)N1CCC[C@@H]1CN=c1cc[nH]c(C#N)n1 1103820452 VOMPDUCIYZBYQP-GHMZBOCLSA-N 316.365 -0.315 30 20 DBED CCNC(=O)CCC(=O)N(C)[C@H](C)CN=c1cc[nH]c(C#N)n1 1104514347 WABOYZHOYVMOAO-LLVKDONJSA-N 318.381 -0.055 30 20 DBED C[C@H](CNc1ccc(C#N)nn1)N(C)C(=O)[C@H]1CCNC1=O 1104765201 YCBZHKLHYJTRSF-KOLCDFICSA-N 302.338 -0.257 30 20 DBED C=CCC[C@@H](C)NCc1cn(C2CN(C(=O)C(N)=O)C2)nn1 1105315260 DHNSFYQZAOTAJI-SNVBAGLBSA-N 306.370 -0.409 30 20 DBED N#CCNC(=O)CN1CC(OC2CCN(C(=O)C3CC3)CC2)C1 1105680606 GYIRGDZZAFYUBC-UHFFFAOYSA-N 320.393 -0.272 30 20 DBED Cc1cnc(C(=O)NC[C@H](O)CNc2ccc(C#N)nn2)cn1 1105710288 ZEMNFJNYTDBKHC-LLVKDONJSA-N 313.321 -0.351 30 20 DBED N#Cc1cccnc1NC[C@H](O)CNC(=O)CNC(=O)C1CC1 1105719132 YELXQRLLRJKJKZ-GFCCVEGCSA-N 317.349 -0.632 30 20 DBED N#Cc1cnc(NC[C@@H](O)CNC(=O)[C@H]2COC(=O)N2)c(F)c1 1105834934 BXLLGTQHRCKLNO-PSASIEDQSA-N 323.284 -0.910 30 20 DBED Cc1cnoc1C(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1 1105939410 RALDKLRRYFZBOC-VIFPVBQESA-N 302.294 -0.731 30 20 DBED Cc1ncn(C)c1C(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1 1105999165 LRVBULNAZRSKIS-JTQLQIEISA-N 315.337 -0.985 30 20 DBED C[C@@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)C[C@@H]1CCC(=O)N1 1106376459 ZPAUXUPRJSYJRP-QWRGUYRKSA-N 316.365 -0.254 30 20 DBED CCNC(=O)CC(=O)NC/C=C\CNc1cnc(C#N)cn1 1107131563 UIHJBLYWFMAFON-ARJAWSKDSA-N 302.338 -0.041 30 20 DBED C#CCNC(=O)CN1CCO[C@@](C)(CNC(=O)C(F)F)C1 1107670643 HTDXIKWGVQVKHO-ZDUSSCGKSA-N 303.309 -0.792 30 20 DBED C=CCN1CCO[C@](C)(CNC(=O)[C@@H](C)S(C)(=O)=O)C1 1108029369 VILFTIVSIUJODG-DGCLKSJQSA-N 304.412 -0.187 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 1108217685 VCKORSLZYSYNNS-WWGRRREGSA-N 307.394 -0.272 30 20 DBED CCC(=O)N1CCN(CC#CCOC)[C@H]2CS(=O)(=O)C[C@H]21 1108443891 USQXTRYEGMYUCU-QWHCGFSZSA-N 314.407 -0.644 30 20 DBED C[C@H](CN(C)c1ccc(C#N)nn1)NC(=O)[C@H]1CN(C)CCO1 1108904974 GBANAHLKFBANMM-DGCLKSJQSA-N 318.381 -0.380 30 20 DBED N#Cc1ccc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)CCn2cncn2)nn1 1109681246 OIZHJDXOVHFYSB-GMXABZIVSA-N 324.348 -0.277 30 20 DBED C#CCNC(=O)CC(=O)NCC1(Nc2nccc(C)n2)CC1 1110105631 LDVSEDXOKSTMIM-UHFFFAOYSA-N 301.350 -0.015 30 20 DBED N#Cc1nccnc1N1CC[C@](O)(CNC(=O)c2cn[nH]c2)C1 1111050072 GALPTINSJBNMNR-AWEZNQCLSA-N 313.321 -0.557 30 20 DBED CN(C)CCC(=O)N(CCO)CCNc1cnc(C#N)cn1 1111553644 NXNBSZWXKYEMHW-UHFFFAOYSA-N 306.370 -0.467 30 20 DBED C=CCN1CC[C@H](N2CCN(C(=O)CNC(=O)OC)CC2)C1=O 1112655322 MSTCRKGCCNVVOL-LBPRGKRZSA-N 324.381 -0.727 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CCN(CC(=O)NCC#N)CC1 1112863666 NHYVBRDFOOGPTO-KGLIPLIRSA-N 320.393 -0.248 30 20 DBED CCNC(=O)NC(=O)CN1C[C@H]2[C@H](NC(=O)[C@@H](C)C#N)[C@H]2C1 1114066632 GBIZBSSOOBUNNU-UXCLJVHYSA-N 307.354 -0.962 30 20 DBED COC[C@@H](O)CN1C[C@H]2[C@H](NC(=O)c3ccc(C#N)[nH]3)[C@H]2C1 1114145742 VWUXHRLQNVRBFK-CIQGVGRVSA-N 304.350 -0.446 30 20 DBED COCC#CCN1C[C@@H]2C(NC(=O)CCn3ccnn3)[C@H]2C1 1114187634 YRFMIRUMQLILHH-STQMWFEESA-N 303.366 -0.636 30 20 DBED C#CCCCC(=O)NC1[C@@H]2CN(Cc3nc(=O)n(C)[nH]3)C[C@@H]12 1114199409 UERHTHDTWKGERA-GHMZBOCLSA-N 303.366 -0.542 30 20 DBED C#CCOCCC(=O)NC1[C@H]2CN(CC(=O)NC(C)(C)C)C[C@H]12 1114265721 HTZLHOPNDFGDEM-STQMWFEESA-N 321.421 -0.013 30 20 DBED COCC#CCN1C[C@@H]2C(NC(=O)c3cc4n(n3)CCO4)[C@H]2C1 1114412220 SWTLNCZIWZZUPF-RYUDHWBXSA-N 316.361 -0.415 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)c3csnn3)[C@@H]2C1 1114633027 RWBWJZLNEBKOAW-IVZWLZJFSA-N 319.390 -0.664 30 20 DBED C[C@@H]1C[C@@H](CNc2cncc(C#N)n2)CN1C(=O)CNC(N)=O 1114662767 BHMNKEPHNREAOZ-ZJUUUORDSA-N 317.353 -0.335 30 20 DBED C#CCN1C[C@@H]2C(NC(=O)CS(=O)(=O)N(CC)CC)[C@H]2C1 1114904158 PCFRZGYIPJYEBL-RYUDHWBXSA-N 313.423 -0.662 30 20 DBED C#CCNC(=O)CNC1(CNC(=O)CC(=O)NC)CCCCC1 1115499346 RYAYHOATODCMIA-UHFFFAOYSA-N 322.409 -0.719 30 20 DBED C#C[C@H](NC(=O)C(=O)NCCCC(=O)N(C)C)[C@@H]1CCCO1 1117117278 HNGUKNBGBXCEAG-RYUDHWBXSA-N 309.366 -0.732 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N[C@@H](C)c2ccn(C)n2)nn1 1118115816 AIOZFGQQNJVMPO-JTQLQIEISA-N 317.353 -0.309 30 20 DBED C=C(C)Cn1nnnc1N1CCCN(S(C)(=O)=O)CC1 1120020533 QCHPROQOQOIQSV-UHFFFAOYSA-N 300.388 -0.279 30 20 DBED C[C@H](CN(C)C(=O)Cn1ncnn1)Nc1cncc(C#N)n1 1120128088 GKOPFWNHALYALT-SECBINFHSA-N 301.314 -0.706 30 20 DBED Cc1cc(=N[C@@H](CO)CNC(=O)Cn2ccnc2)c(C#N)c[nH]1 1121718602 OQDVWUKSPGIOGN-CYBMUJFWSA-N 314.349 -0.531 30 20 DBED CN1CC[C@H](C(=O)NC[C@@H](CO)Nc2ccc(C#N)cn2)C1=O 1122430975 RHLDRELQNVMFJJ-NWDGAFQWSA-N 317.349 -0.679 30 20 DBED N#Cc1ccc(CNCCNC(=O)Cn2cnnn2)cc1F 1123303666 BKAZNAPVKFAWAW-UHFFFAOYSA-N 303.301 -0.410 30 20 DBED CCNC(=O)CC(=O)N(C)C[C@@H](O)CNc1cnc(C#N)cn1 1124314955 MRSZPAVGYPNACA-NSHDSACASA-N 320.353 -0.894 30 20 DBED C#CCNC(=O)CC(=O)NCCNCc1ncnn1CCC 1125978358 PFVSQLRDEGFMPI-UHFFFAOYSA-N 306.370 -0.967 30 20 DBED CCNC(=O)NC(=O)CNCCNC(=O)c1c[nH]c(C#N)c1 1125988256 RUQPYMXLJYVYPS-UHFFFAOYSA-N 306.326 -0.949 30 20 DBED C[C@H](NCCNC(=O)C#CC1CC1)C(=O)NC[C@@H]1CCCO1 1126886523 VRUKISSUUUSPHY-JSGCOSHPSA-N 307.394 -0.211 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)CCc1ccn(C)n1 1128475513 UOFPTSPDZWHALA-GFCCVEGCSA-N 307.398 -0.251 30 20 DBED CC#CCN[C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@@H]1n1ccnn1 1130009323 JGHSZFOWEKBXJE-ILXRZTDVSA-N 318.425 -0.017 30 20 DBED N#CCNC[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C(F)F)n1 1130175123 CVCNPEGNXNBQDB-YUMQZZPRSA-N 314.296 -0.328 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(C)=O)C[C@H]1c1cncn1C 1130886343 KHEKDBXRXUMUBT-MRVWCRGKSA-N 317.393 -0.538 30 20 DBED C#CCCCC(=O)N1C[C@H]2C[C@@H]3CN(CC(=O)NC)C[C@]2(C1)O3 1131220674 OTBYYKKYEIPJSQ-CKEIUWERSA-N 319.405 -0.162 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1cnc(C2CC2)nc1 1134863468 ZIXGVKXYLYYCOX-UHFFFAOYSA-N 302.338 -0.687 30 20 DBED C=CCCn1cc(C(=O)NCCN[C@H]2CCCN(C)C2=O)nn1 1135075726 WEIOFSOAORTAPB-LBPRGKRZSA-N 320.397 -0.206 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)COc1cccnc1 1135352115 BAKPMMCLQSOWHK-LBPRGKRZSA-N 304.350 -0.696 30 20 DBED C#CCN[C@H](C)C[C@H](C)NC(=O)Cn1[nH]cc2c(=O)ncnc1-2 1135695867 WMQAHOCMDOZIHI-MNOVXSKESA-N 316.365 -0.423 30 20 DBED C[C@@H](C[C@H](C)NC(=O)c1ccn(C)n1)NCC(=O)NCC#N 1146322690 IYPIXEBZLSFVFW-QWRGUYRKSA-N 306.370 -0.454 30 20 DBED CNC(=O)NC(=O)CN1CCC2(C1)CN(C(=O)C#CC(C)C)C2 1147498770 IYIASBWIUQCZKA-UHFFFAOYSA-N 320.393 -0.364 30 20 DBED C=CCNC(=O)CN1CCCO[C@@H](CNC(=O)c2cocn2)C1 1149383440 GBVMBGXDOWIDBT-LBPRGKRZSA-N 322.365 -0.203 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(Cc2cnnn2C)CCCO1 1149430371 BIBVMOQLAYQPKH-AWEZNQCLSA-N 323.397 -0.275 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)Cn1c(C)csc1=O 1150789393 QUWBGPRUAPHTOQ-LLVKDONJSA-N 324.406 -0.938 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)[C@@H](CC(C)C)C(N)=O 1153782590 QMJMCULGQVUZBM-RYUDHWBXSA-N 312.414 -0.470 30 20 DBED COCCC(=O)N1CCCC[C@@H]1CN(C)CC(=O)NCC#N 1157422878 PNTLYOJCPYUYTN-CYBMUJFWSA-N 310.398 -0.024 30 20 DBED CN(C)S(=O)(=O)CCCNCCCNC(=O)C#CC1CC1 1157682716 NPCIQGAZPADFMU-UHFFFAOYSA-N 315.439 -0.223 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)c1cc(C)nnc1C 1158909206 LZVANKYVBOWNRA-ZDUSSCGKSA-N 317.393 -0.059 30 20 DBED C#CCCNCCCNC(=O)Cn1ncn2nccc2c1=O 1167542297 REKKMGMUHGQUFE-UHFFFAOYSA-N 302.338 -0.990 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)c1cn(CC=C)nn1 1167848231 STZLYDILRUIKSK-LBPRGKRZSA-N 320.397 -0.136 30 20 DBED C#CCNCC1(CCNC(=O)Cn2nc(C)n(C)c2=O)CC1 1167942579 XEXUSRJCPCLWGC-UHFFFAOYSA-N 305.382 -0.600 30 20 DBED N#CCNC(=O)CNCCCNC(=O)COc1cccc(F)c1 1175950056 SWYBLLQKXABVLA-UHFFFAOYSA-N 322.340 -0.060 30 20 DBED CNC(=O)CC(=O)NCCCCCCNCC(=O)NCC#N 1178290254 TYENCFMNFMGERX-UHFFFAOYSA-N 311.386 -0.972 30 20 DBED N#CCNC(=O)CNCCCCCCNC(=O)Cc1cnc[nH]1 1179689692 JQHBYRAHJDYLRF-UHFFFAOYSA-N 320.397 -0.142 30 20 DBED COCC#CCN[C@H]1CCN(C(=O)c2cc(C(N)=O)c[nH]2)[C@H]1C 1179787601 NKKSLXAOAAQBKG-AAEUAGOBSA-N 318.377 -0.044 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2cccc(O)n2)C1 1181859781 MGBRIBHFGOZVDK-VXGBXAGGSA-N 316.361 -0.271 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 1184877111 RMNXLKQBNBEIFM-BFHYXJOUSA-N 308.426 -0.038 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2cnc(C)n2C)C1 1185167348 PNNBWOFYQCPMJI-DGCLKSJQSA-N 317.393 -0.329 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CCC(=O)N(C)C2)C1 1188158218 HYCSNPKQJLVLLO-QWHCGFSZSA-N 322.409 -0.653 30 20 DBED C=CCN1CC[C@H](N2C[C@@H](O)[C@H](NC(=O)/C(C)=C\C)C2)C1=O 1192127780 OIKBVJDSRADPNC-VAVFBHOTSA-N 307.394 -0.099 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(CC(=O)N(C)CC2CC2)C[C@H]1O 1192722296 LNKZCGFGOCNYLY-HUUCEWRRSA-N 321.421 -0.325 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)[C@H](C)NC(=O)CC)C1 1193189962 BGUCRIMAPSWOGT-YNEHKIRRSA-N 313.398 -0.735 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)c2cc(C3CC3)no2)C1 1196519988 YPMSGNFISBFVCR-ZIAGYGMSSA-N 319.361 -0.023 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCCN(C(=O)c2ccn(C)n2)CC1 1198105137 AAFSTNDKAOLJGB-CYBMUJFWSA-N 317.393 -0.294 30 20 DBED C=CCNC(=O)[C@@H](C)NC1CCN(C(=O)[C@H](C)NC(C)=O)CC1 1199225838 UVKMNRTVUGGOFS-NEPJUHHUSA-N 324.425 -0.218 30 20 DBED C[C@]1(C(=O)N2CCCO[C@@H](CNCC#N)C2)CCNC(=O)C1 1200795452 KQFGWDFLRSQGJB-WFASDCNBSA-N 308.382 -0.367 30 20 DBED C#CCNC(=O)CN[C@@H]1C[C@@H](NC(=O)c2cc[nH]n2)C12CCC2 1202472219 WFFMYOUKELOHNR-CHWSQXEVSA-N 315.377 -0.210 30 20 DBED C[C@@H](NS(C)(=O)=O)C(=O)N1CCC(CNCC#N)CC1 1206411828 VAJHYJTWQKEHAM-SNVBAGLBSA-N 302.400 -0.724 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)Cc2cccnc2)[C@H](C)C1 1206872129 OLPBPYSCPXJEFS-UKRRQHHQSA-N 314.389 -0.190 30 20 DBED CCCCS(=O)(=O)NCC(=O)N1CCC[C@@H](NCC#N)C1 1210857030 CUUZBLOSSKBGRA-GFCCVEGCSA-N 316.427 -0.190 30 20 DBED C=CCCC(=O)N[C@@H]1CN(CCN2C(=O)CCC2=O)C[C@H]1OC 1211997362 RQUXNMRDKLEFAA-CHWSQXEVSA-N 323.393 -0.083 30 20 DBED COCC#CCN1C[C@@H](NC(=O)C[C@@H]2CCOC2)[C@H](OC)C1 1212057750 HPYGNWYANKCTLX-RRFJBIMHSA-N 310.394 -0.122 30 20 DBED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)[C@H]1CCC1(C)C 1213297412 FFLSWSWTXYSNLP-JHJVBQTASA-N 322.409 -0.122 30 20 DBED C=CCCCC(=O)N[C@@H]1CN(Cc2nnnn2C)C[C@H]1OC 1213350019 CLXLKMMYDMTSCZ-VXGBXAGGSA-N 308.386 -0.118 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)CC(=O)NCC(F)(F)F 1213646031 FRWSINQDWDSJNI-RKDXNWHRSA-N 322.287 -0.606 30 20 DBED Cc1cc(CC(=O)N2C[C@@H](NCC(=O)NCC#N)[C@H](C)C2)no1 1214358862 OVGYCBYTHKBRNE-ZWNOBZJWSA-N 319.365 -0.398 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@@H](NCc2nnnn2C)[C@H](C)C1 1214602109 KEADFZKIFQJRQZ-GRYCIOLGSA-N 306.370 -0.815 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cc[nH]n1 1217321358 NNVURFFKCIKIGD-QWHCGFSZSA-N 319.365 -0.763 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)CCOCC 1217523338 UPEWDDLQPMMADX-UONOGXRCSA-N 323.393 -0.926 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)CCNC(=O)C(C)(C)C)C1 1220114690 RQHDDBIAWKHJRY-OLZOCXBDSA-N 309.410 -0.277 30 20 DBED C=CCCCN1C[C@H](O)[C@H](NC(=O)CN2CCC(=O)NC2=O)C1 1220698300 QOHACLMIFJVJCG-NEPJUHHUSA-N 324.381 -0.944 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)CNC(=O)c2ccsc2)C1 1221005546 OHWHHJPPAUKPTB-NEPJUHHUSA-N 309.391 -0.175 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)[C@@H]2CCCCO2)CC1 1226876069 MRTDILULGJZUIQ-AWEZNQCLSA-N 307.394 -0.115 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCC(NC(=O)[C@H]2C[C@H]2C(N)=O)CC1 1229214655 JFGWIVUMPYSFKT-RTXFEEFZSA-N 322.409 -0.621 30 20 DBED C#CCCN1CCS(=O)(=O)[C@H](CCNC(=O)c2cc[nH]n2)C1 1230422390 LBADVEXTCMOOJZ-GFCCVEGCSA-N 324.406 -0.348 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@H]1CN(C)C(=O)c1cnsn1 1230856592 XRESMUWEYDZEJM-QWRGUYRKSA-N 321.406 -0.178 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)[C@@H](OC)C1CC1 1234051418 VBBWWWLJEWRABR-ZFWWWQNUSA-N 307.394 -0.307 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)NCc1ccccn1 1321528634 KXEWRJOPHMATLG-UHFFFAOYSA-N 311.363 -0.585 30 20 DBED C#CCSCCNC(=O)C(=O)N[C@H](C)c1nnc2n1CCC2 1321985792 ZEOYSOHHOMJQHC-SNVBAGLBSA-N 321.406 -0.116 30 20 DBED CC(C)[C@@H](CNC(=O)C(=O)NCCCC#N)N1CCOCC1 1323004854 HDRQMVXGKLWALC-CYBMUJFWSA-N 310.398 -0.121 30 20 DBED C=CCCCCNC(=O)C(=O)NCc1nnc2n1CCOC2 1324476152 ZPQAZGFJGSDXDO-UHFFFAOYSA-N 307.354 -0.103 30 20 DBED C=CCN(C(=O)C(=O)N(C)Cc1cn(C)nn1)[C@@H](C)COC 1328281479 LBLLIMOPGNXJDT-NSHDSACASA-N 309.370 -0.177 30 20 DBED CCOC(=O)N1CC[C@H](NC(=O)C(=O)N2CCO[C@H](C#N)C2)C1 1329849819 PQAWUXPCUKVTAK-WDEREUQCSA-N 324.337 -0.916 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC[C@@H]2CCOC2)C1=O 1329911938 LIFFJRRWKXHJNK-NWDGAFQWSA-N 309.366 -0.616 30 20 DBED C=CCOCCNC(=O)C(=O)N[C@@H]1C[C@H](OCC)[C@@H]1OC 1330762269 VBYDKJBKAABEEJ-GRYCIOLGSA-N 300.355 -0.386 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](N)C2)CCN1C1CC1 1331998983 WYIRLHFGLGZWOX-DGCLKSJQSA-N 305.382 -0.865 30 20 DBED C=CCN(C(=O)C(=O)N1CCO[C@H]([C@H](C)N)C1)[C@@H](C)COC 1333652994 CKNMAIYSVJDBKS-AVGNSLFASA-N 313.398 -0.390 30 20 DBED C=CCN1CC[C@H](N(C)c2nnnn2C[C@@H]2CCOC2)C1=O 1333728906 GZPDIUKIWZJZBK-RYUDHWBXSA-N 306.370 -0.067 30 20 DBED C#C[C@@H](C)N(C)c1nnc(C2=NO[C@@H](CO)C2)n1CCOC 1341236100 INRJIUBKOJWGPE-GHMZBOCLSA-N 307.354 -0.132 30 20 DBED CN(C)C1(CNC(=O)C(=O)N2CCO[C@@H](C#N)C2)CCCC1 1344830219 ODAQLOAGKAVYKO-LBPRGKRZSA-N 308.382 -0.272 30 20 DBED C=CCOCCn1nnnc1N1CC[C@H](C)S(=O)(=O)CC1 1352363312 XSKLASBFQLWGHH-NSHDSACASA-N 315.399 -0.111 30 20 DBED C[C@H](C#N)N(C)C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C 1361476364 WFORDVIUWUXIDW-MRVPVSSYSA-N 301.306 -0.384 30 20 DBED COc1ccnc(C(=O)NCCn2cc(C#N)c(O)nc2=O)c1 1363287033 LWYVLQPFZJXIDE-UHFFFAOYSA-N 315.289 -0.346 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNCc1ncnn1C(C)(C)C 1367579945 LMTXCHNDAXMYNF-QWRGUYRKSA-N 308.386 -0.241 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1C[C@@H](NC(=O)CN2CCCNC2=O)C1 1371703405 HQYJVRSFJZLIHP-SDDRHHMPSA-N 321.381 -0.428 30 20 DBED CCn1nc(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H](C)C#N)C2)ccc1=O 1372576188 ITGVJEPNGQABRC-DCAQKATOSA-N 317.349 -0.200 30 20 DBED C[C@@H](C#N)C(=O)NCC1CN(C(=O)c2cc(C(N)=O)ccn2)C1 1374896688 BJNZCJPMGNEJOV-VIFPVBQESA-N 315.333 -0.472 30 20 DBED C[C@H](CNC(=O)[C@@H]1CCC(=O)N1)NC(=O)c1ccc(C#N)[nH]1 1376860876 JPMVPHMBOFDUBJ-SCZZXKLOSA-N 303.322 -0.601 30 20 DBED COCC(=O)NCCC(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H](C)C#N)C1 1384545060 FXZXSJKINXFEJQ-SDDRHHMPSA-N 324.381 -0.690 30 20 DBED C[C@@H](C#N)C(=O)N(C)C[C@H]1CCN(C(=O)CCNC(N)=O)C1 1387616205 DVGRTKNJVHHETJ-WDEREUQCSA-N 309.370 -0.489 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1cc2ncccn2n1 1389119465 FNQZRPYXPQLROB-ZJUUUORDSA-N 316.321 -0.904 30 20 DBED CC(=O)N1CCC[C@@H]1C(=O)NCC1(NC(=O)[C@H](C)C#N)CC1 1389876233 UTRYCNKBSRKBPO-ZYHUDNBSSA-N 306.366 -0.078 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@H](N[C@H](C)C(=O)NC(=O)NC2CC2)C1 1398543844 ORTQGAALTNPFDF-CNVPUSNMSA-N 321.381 -0.240 30 20 DBED COCCN1C[C@H](C(=O)N(C)CCNC(=O)[C@@H](C)C#N)CC1=O 1408674321 WANHJESGSLFIPZ-NWDGAFQWSA-N 324.381 -0.784 30 20 DBED CCCN(C(=O)Cn1cc(C#N)c(O)nc1=O)[C@@H]1CCN(C)C1 1412270177 SXJGQSQAZPBTCN-GFCCVEGCSA-N 319.365 -0.237 30 20 DBED CC[C@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)c1cnn(C)n1 1416194574 AQTKMSDPDAIIMG-SNVBAGLBSA-N 315.337 -0.047 30 20 DBED C[C@@H](C#N)C(=O)NCC1CN(CC(=O)NC2CCOCC2)C1 1419011035 QRAOWFGNTQCUFN-NSHDSACASA-N 308.382 -0.511 30 20 DBED Cn1ccc(CNC(=O)NCCn2cc(C#N)c(O)nc2=O)c1 1427165982 GYMIMSRRJHQEHV-UHFFFAOYSA-N 316.321 -0.342 30 20 DBED CC1(C)C[C@H](NC(=O)CCn2cc(C#N)c(O)nc2=O)C(=O)O1 1433829445 VAFRWDGUOMALLB-VIFPVBQESA-N 320.305 -0.579 30 20 DBED CCN(CCC#N)C(=O)CN(C)CCNC(=O)c1cncn1C 1442462405 JWDJCJWBHNJILE-UHFFFAOYSA-N 320.397 -0.156 30 20 DBED CCN(CCC#N)C(=O)CNC[C@H](C)N(C)C(=O)c1cnn[nH]1 1444627664 HMNQYCFAOLCKOP-NSHDSACASA-N 321.385 -0.383 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CCN(C(=O)c2ccc(=O)n(C)n2)C1 1448351715 KODVNWLDADQIRF-GHMZBOCLSA-N 317.349 -0.482 30 20 DBED C[C@@H](CNC(=O)CN1CCOCC1)NC(=O)c1cc(C#N)c[nH]1 1452764759 LXTZJQVMSWVNIY-NSHDSACASA-N 319.365 -0.547 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CCCN(Cc2nc(=O)n(C)[nH]2)C1 1479903485 WHRWIWBXVSMODY-NWDGAFQWSA-N 321.381 -0.773 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)c2cccc(O)n2)C1 1480107864 MGBRIBHFGOZVDK-RYUDHWBXSA-N 316.361 -0.271 30 20 DBED C=C(Cl)CN(CC)CCNC(=O)CN1CCN(C)C(=O)C1 1492981725 BSWSVWSHGUHELI-UHFFFAOYSA-N 316.833 -0.049 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1cnn2cc[nH]c12 1533309575 UCBZUIYPYNTALC-IUCAKERBSA-N 304.310 -0.971 30 20 DBED CC(C)(CCC(=O)O)NC(=O)Cn1cc(C#N)c(O)nc1=O 1573470137 QSKRRNZJKMJQEA-UHFFFAOYSA-N 308.294 -0.420 30 20 DBED C#CCn1ccc(CN(CCOC)C(=O)CC2(N)COC2)n1 1574759887 RTVSZRZYDMIJSJ-UHFFFAOYSA-N 306.366 -0.391 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2C[C@H](N)C2(C)C)C1=O 1574935199 CCYHGULTCVGARA-DTWKUNHWSA-N 308.338 -0.795 30 20 DBED C#CCN(CC(=O)O)c1nnnn1CC(C)(C)N1CCOCC1 1588427483 ZKZBVEOFVHFHEV-UHFFFAOYSA-N 322.369 -0.692 30 20 DBED C#CCCCC(=O)NC1(CCO)CN(C(=O)[C@H]2C[C@H]2C(=O)O)C1 1588435068 BHFJROMCJMMPLT-NWDGAFQWSA-N 322.361 -0.410 30 20 DBED C[C@@H](C(=O)N[C@@H](C(=O)O)c1ccnn1C)n1cnc(C#N)n1 1588552313 RXMMRHXMKAMAGS-OIBJUYFYSA-N 303.282 -0.614 30 20 DBED C#CCN1CCC[C@H](NC(=O)N2C[C@@H](O)C[C@@H](C(=O)O)C2)C1 1602720787 HJRNRWPJCWVUSE-AGIUHOORSA-N 309.366 -0.439 30 20 DBED C[C@H]1CN(C(=O)C(=O)N2CCO[C@H](C#N)C2)CC[C@H]1C(=O)O 1607467613 CERANCMWKAVCMX-HBNTYKKESA-N 309.322 -0.693 30 20 DBED C=CCOC[C@H](NC(=O)Cn1cc([N+](=O)[O-])nc1C)C(=O)O 1609442846 HXPSPFCRCUZFGN-VIFPVBQESA-N 312.282 -0.128 30 20 DBED C=CCCn1cc(C(=O)NC2CN(C[C@H](O)COC)C2)nn1 1692242472 YNMQPPLRXVXPKP-LBPRGKRZSA-N 309.370 -0.725 30 20 DBED COCCCC(=O)N1CC[C@@H](CN(C)CC(=O)NCC#N)C1 1753353827 BBUONWXRWYGCOK-ZDUSSCGKSA-N 310.398 -0.167 30 20 DBED C=CCNC(=O)NC(=O)CN1CC(NC(=O)C[C@@](C)(O)C=C)C1 1753375518 MPQHMWCEMLFEJN-HNNXBMFYSA-N 324.381 -0.874 30 20 DBED C=CCNC(=O)CN1CC(CNC(=O)CCc2cnn(C)c2)C1 1753417318 MHYYJZPYWZTLCO-UHFFFAOYSA-N 319.409 -0.297 30 20 DBED C#CCNC(=O)CNCC[C@H]1CCCN(C(=O)CNC(C)=O)C1 1753538559 GOSMFZPPJDDPKB-CQSZACIVSA-N 322.409 -0.910 30 20 DBED C#CCNC(=O)[C@H](C)NCc1ccc(CNC(=O)C(N)=O)cc1 1753590805 PASIETISBBGNRB-NSHDSACASA-N 316.361 -0.984 30 20 DBED COCC#CCN1CCO[C@@H](CNC(=O)C2(COC)CC2)C1 1753650986 DHWFPVMONOXXTH-AWEZNQCLSA-N 310.394 -0.120 30 20 DBED C#CCCNC[C@@H]1CCC[C@H]1NC(=O)Cn1ccc(O)nc1=O 1753887199 BKMADEQKQTVLQD-QWHCGFSZSA-N 318.377 -0.153 30 20 DBED C#CCCNC[C@H](O)CNC(=O)c1cnn(-c2ccccn2)c1 1753929881 LWGHIHMDXYFQOP-AWEZNQCLSA-N 313.361 -0.029 30 20 DBED C#CCNC(=O)CNC[C@H](C)NC(=O)[C@H]1CCCN1CCC 1754269316 HJLKAQDPJRVWOV-UONOGXRCSA-N 308.426 -0.296 30 20 DBED C=C(C)CCN1CC[C@H]1CNC(=O)Cn1cnc(C(N)=O)n1 1754482688 QTYGPTPIGDUFTO-NSHDSACASA-N 306.370 -0.466 30 20 DBED C#CCNC(=O)CNC[C@H]1CN(C(=O)C2=CCOCC2)C[C@@H]1C 1754810136 DHTBVDHAPFFMCU-ZFWWWQNUSA-N 319.405 -0.233 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)[C@H](CC(=C)C)NC(C)=O 1754972122 FKWLDYWNAAQWNR-GJZGRUSLSA-N 307.394 -0.093 30 20 DBED N#CCNCC1(NC(=O)c2ccoc2CC(N)=O)CCOCC1 1755097745 UBMAMCUOSKBRJB-UHFFFAOYSA-N 320.349 -0.300 30 20 DBED C#CCCNC1(C)CCN(C(=O)CN(C)S(C)(=O)=O)CC1 1755129917 YFLLCIHWQPXMOE-UHFFFAOYSA-N 315.439 -0.128 30 20 DBED CCc1oncc1C(=O)NC1CC(CNCC(=O)NCC#N)C1 1755217854 JSQMBBFOAZEICW-UHFFFAOYSA-N 319.365 -0.025 30 20 DBED CC(C)[C@@H](CCN(C)C(=O)Cn1ccc(O)nc1=O)NCC#N 1755341551 KIVBRARTBAMROS-GFCCVEGCSA-N 321.381 -0.065 30 20 DBED CC#CCN1CC([C@@H](C)NC(=O)CCNS(C)(=O)=O)C1 1755377951 AVDNMQFBJSMSML-LLVKDONJSA-N 301.412 -0.615 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H](CO)CNC(=O)Cc1ccc(C)o1 1755625633 OPQCKMZWMHKRHI-CHWSQXEVSA-N 321.377 -0.665 30 20 DBED C=C(C)CN[C@H](CO)CNC(=O)[C@H]1CCCCS1(=O)=O 1755631164 WQOIKEMOCFOUBQ-NWDGAFQWSA-N 304.412 -0.404 30 20 DBED CC#CCNC[C@@H](O)CN(C)C(=O)[C@H]1CCc2cncn2C1 1755793053 MJHPJZVPWIIIHM-DZGCQCFKSA-N 304.394 -0.122 30 20 DBED C#CCNC(=O)CN(C)C[C@H](O)CN(C)C(=O)c1cscn1 1755799570 PXTAOWYAGUDPIQ-NSHDSACASA-N 324.406 -0.743 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H](CO)CNC(=O)c1oc(C)nc1C 1756511093 UVWBCNYWZKXVGC-JQWIXIFHSA-N 323.349 -0.463 30 20 DBED N#CCSCC(=O)N[C@H](CO)CNC(=O)c1cc(F)c[nH]1 1756534825 ANPNFEUSDLEZNK-VIFPVBQESA-N 314.342 -0.383 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H](CO)CNC(=O)c1cccnn1 1756544895 HJMHBIAQDITDKK-YGRLFVJLSA-N 308.338 -0.989 30 20 DBED C=CC(C)(C)C(=O)N(C)C[C@@H](O)CN(C)C(=O)c1nnn(C)n1 1756687419 KFNDPQYSXVGFCK-JTQLQIEISA-N 324.385 -0.686 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1=CCN(C(=O)CC(N)=O)CC1 1756769696 KRKSGZOYZKBNCA-NSHDSACASA-N 307.350 -0.825 30 20 DBED C=CCCC(=O)N[C@@H]1CN(C(=O)c2cc(=O)n(C)o2)C[C@H]1O 1756984816 IJTMWILIRBUIEA-NXEZZACHSA-N 309.322 -0.754 30 20 DBED C#CCCCCC(=O)N1C[C@H](O)[C@H](NC(=O)c2cnccn2)C1 1757151510 WRFSICWSFDAJOD-KGLIPLIRSA-N 316.361 -0.028 30 20 DBED C=CCCOCC(=O)N1C[C@H](O)[C@H](NC(=O)Cc2cnc[nH]2)C1 1757215265 LECKJKCRCDBOSS-OLZOCXBDSA-N 322.365 -0.767 30 20 DBED CC(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791076165 VOOVUECKADWXLL-AVGNSLFASA-N 322.361 -0.290 30 20 DBED C#CCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN)C[C@@H]21 1791267731 QZIMNNYEGYOUJU-IHRRRGAJSA-N 307.394 -0.272 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccncc1O)C2 1800453599 LGFMXPIVRDHEBJ-QHBPRCKVSA-N 315.329 -0.376 30 20 DBED Cn1nc(C(=O)N2CCCC23CN(C(=O)CC#N)C3)cc1O 1842190913 ILNNJOCYXVCADZ-UHFFFAOYSA-N 303.322 -0.144 30 20 DBED NCC(=O)N1CCCC12CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1842877315 FVKDDODOZRBQAB-IREQLNLFSA-N 324.381 -0.323 30 20 DBED CS(=O)(=O)NCCNS(=O)(=O)Cc1ccc(C#N)cc1 35207872 KZXXRJIPNTVPBQ-UHFFFAOYSA-N 317.392 -0.473 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(c2ncccc2C(N)=O)CC1 131909028 WDZIICIVKRGQEO-GFCCVEGCSA-N 317.393 -0.007 30 20 DBED N#Cc1ccc([C@H](O)CN2CCN3C(=O)C(=O)NC[C@@H]3C2)cc1 152774340 FLDLRSUOASIIPT-ZIAGYGMSSA-N 314.345 -0.766 30 20 DBED N/C(=N/OCC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccsc1 198444020 IRVIYGOYHQAXGV-SECBINFHSA-N 317.392 -0.312 30 20 DBED N#C[C@@H]1COCCN1C(=O)CNC(=O)COc1ccccc1 267108249 QMSIUWJELIVRTL-GFCCVEGCSA-N 303.318 -0.067 30 20 DBED Cn1c(N2CCOCC(F)(F)C2)c(C#N)c(=O)n(C)c1=O 289118472 QQBVHQMENLQENP-UHFFFAOYSA-N 300.265 -0.572 30 20 DBED N#Cc1ccc(OC[C@H](O)CN2CCO[C@@H](C(N)=O)C2)cc1 299465734 JNNTXURGPGILMX-TZMCWYRMSA-N 305.334 -0.516 30 20 DBED COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)N1CCO[C@H](C#N)C1 300167785 MBJKSSYSMXHSPZ-GMTAPVOTSA-N 302.352 -0.118 30 20 DBED CCO[C@@H]1C[C@H](/N=C(/O)CN2CCS(=O)(=O)CC2)[C@@H]1OC 330127733 NBFCZJVGQCZSGX-LOWVWBTDSA-N 320.411 -0.134 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)NCCCN1CCOCC1 330408477 HTXWTGFVBXEWMX-GFCCVEGCSA-N 304.416 -0.223 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)NCCCN1CCOCC1 330408478 HTXWTGFVBXEWMX-LBPRGKRZSA-N 304.416 -0.223 30 20 DBED C[C@H](C#N)NC(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1 330622448 NUYSFPVGUSYXIR-CHWSQXEVSA-N 308.382 -0.272 30 20 DBED CC/N=C(/O)N1CCN(S(=O)(=O)CCC(=O)OCC)CC1 331216876 PUBDAGRWLKHZCU-UHFFFAOYSA-N 321.399 -0.179 30 20 DBED CCN1CCCN(C(=O)CNc2ccc(C#N)cn2)CC1=O 332292006 JJPODMVNTJWINO-UHFFFAOYSA-N 301.350 0.446 30 20 DBED C[C@H](CNS(=O)(=O)N1CCO[C@@H](C#N)C1)Cn1cccn1 336907172 FNGUXJOGSYANRK-NEPJUHHUSA-N 313.383 -0.422 30 20 DBED CN(C)C1(CNS(=O)(=O)N2CCO[C@@H](C#N)C2)CCCC1 336917875 NUTIZIBTBMIWCK-LBPRGKRZSA-N 316.427 -0.080 30 20 DBED CS[C@H](CO)[C@@H](C)NS(=O)(=O)N1CCO[C@@H](C#N)C1 336937038 GPNBKPBEHZJTIB-KXUCPTDWSA-N 309.413 -0.842 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N[C@H](CO)C1CCOCC1 337153070 LORZQOKBXJUJNY-CMPLNLGQSA-N 305.400 -0.300 30 20 DBED C=CC[C@H](CO)CNS(=O)(=O)c1cc(C(N)=O)n(C)c1 341191011 MXTNCBDAZVPPHO-VIFPVBQESA-N 301.368 -0.413 30 20 DBED COCC[C@@H](NC(=O)COc1ccc(C#N)cc1OC)C(N)=O 343288513 JICSURJUSJRWBA-LLVKDONJSA-N 321.333 -0.048 30 20 DBED COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(C#N)o2)CCO1 344404927 FFDYQFCJKZZNKK-SECBINFHSA-N 300.292 -0.286 30 20 DBED C=CCNC(=O)CNC(=O)Nc1ccc(OCC(N)=O)cc1 348166748 LXESSQQAPKNVBR-UHFFFAOYSA-N 306.322 -0.026 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)CCn2ccnc2)CC1 349082610 RTBLPRTWPJXTNK-UHFFFAOYSA-N 305.382 -0.280 30 20 DBED Cn1cnc(NS(=O)(=O)c2ccc(C#N)nc2)c1C(N)=O 356510318 SDSKBWHPAGXUFB-UHFFFAOYSA-N 306.307 -0.414 30 20 DBED CCO[C@@H]1C[C@](O)(CNC(=O)NCC(=O)NCC#N)C1(C)C 358312545 MIFPSJPGIIUTLB-YGRLFVJLSA-N 312.370 -0.509 30 20 DBED CC[C@H]1CN(CC)CCN1c1c(C#N)c(=O)n(C)c(=O)n1C 408457481 OXCUDYGFXDHYFI-NSHDSACASA-N 305.382 -0.124 30 20 DBED C[C@@H]1COCCN1CCNC(=O)C(=O)NCC(C)(C)CC#N 422481111 OKLLROGQLDMQDX-GFCCVEGCSA-N 310.398 -0.121 30 20 DBED C[C@H](C(=O)NC1CC1)N1CCN(C(=O)[C@H](N)CCCC#N)CC1 424134083 KHQCQAAKCWJCDE-TZMCWYRMSA-N 321.425 -0.181 30 20 DBED C=CCCn1cc(C(=O)NCCCN2CCNC(=O)C2)nn1 424765188 IQWNIJIWAAKWMB-UHFFFAOYSA-N 306.370 -0.594 30 20 DBED N#Cc1ccnc(N2CCN(C(=O)[C@@H]3COCCN3)CC2)c1 428776693 FMNNKEOVVJCORS-ZDUSSCGKSA-N 301.350 -0.410 30 20 DBED CN(CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)CC(C)(C)C#N 433298272 YSWOOGPCKXWHTQ-UHFFFAOYSA-N 307.354 -0.670 30 20 DBED CN1C(=O)CO[C@@H](C(=O)N[C@@H](C#N)C2CC2)[C@@H]1c1cnn(C)c1 471092594 LZRDZCJGUZMCNA-FPMFFAJLSA-N 317.349 -0.263 30 20 DBED C#CCNC(=O)CN1CCN(CC(=O)NCCC(C)(C)C)CC1 491210360 SSSCIAADIIZHMD-UHFFFAOYSA-N 322.453 -0.094 30 20 DBED C#CCNC(=O)CCNCc1ccc(S(=O)(=O)NC)s1 491663825 HINXUXVRUBSOKE-UHFFFAOYSA-N 315.420 -0.115 30 20 DBED C#CCN1CCN(C(=O)CN2CCOC[C@@]23CCOC3)CC1 491667516 IKJXRGBNRKHAPL-INIZCTEOSA-N 307.394 -0.745 30 20 DBED C#CCN1CCN(C(=O)CN2CC[S@](=O)[C@H](C)[C@@H]2C)CC1 491747967 XDKJLZQSUHLBAG-QTCYRWPVSA-N 311.451 -0.395 30 20 DBED N#CCNC(=O)CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 557783513 YIZBSAIWDJUDJQ-UHFFFAOYSA-N 320.261 -0.264 30 20 DBED CN(CCC#N)C[C@H](O)CNC[C@H]1CCCCS1(=O)=O 564874167 ZJMFZQJQSJIUSQ-CHWSQXEVSA-N 303.428 -0.250 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CCN(C(=O)C2CC2)C1 565709942 NNDJBYCIOYROKM-UHFFFAOYSA-N 300.384 -0.022 30 20 DBED C=CCNc1ncc(C(=O)NCC(=O)N2CCNCC2)s1 574808747 JMAKCWILOLMWLD-UHFFFAOYSA-N 309.395 -0.097 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@@H](CCF)C(=O)O 594573229 LHCMFNUJKUCAGE-VIFPVBQESA-N 311.335 -0.504 30 20 DBED CN1CCC(CNc2ccc(C#N)nn2)(N2CCOCC2)CC1 596270135 IYZAVUZHRLVSRB-UHFFFAOYSA-N 316.409 0.557 30 20 DBED CC(C)(C#N)C[C@@H](O)CN1CCN(C(=O)C(=O)NC2CC2)CC1 598586190 QATNRNIAHDSUCU-CYBMUJFWSA-N 322.409 -0.290 30 20 DBED COc1cc(NC(=O)NC(CO)(CO)CO)c(F)cc1C#N 599812892 UWQVWWQBYKBXJG-UHFFFAOYSA-N 313.285 -0.457 30 20 DBED N#Cc1ncn(CC(=O)N2CCc3ccccc3[C@@H]2C(N)=O)n1 610884181 YOKWZALDYUAPHX-CQSZACIVSA-N 310.317 -0.239 30 20 DBED CCC[C@@H](C#N)NC(=O)C(=O)c1cc(S(N)(=O)=O)cn1C 667763322 WFIVYYNOAIYMJW-QMMMGPOBSA-N 312.351 -0.336 30 20 DBED C#Cc1cncc(C(=O)NCCN2CCS(=O)(=O)CC2)c1 773932130 PCIKZVQQUYBZBP-UHFFFAOYSA-N 307.375 -0.477 30 20 DBED Cn1c(=O)c2nc(COC(=O)CC(C)(C)C#N)[nH]c2n(C)c1=O 785091899 ZSZNBADIFSSOHN-UHFFFAOYSA-N 319.321 -0.057 30 20 DBED C#C[C@H](NC(=O)NCCS(=O)(=O)N1CCOCC1)C(C)C 798522378 LQEYIVTZVOKTFT-LBPRGKRZSA-N 317.411 -0.395 30 20 DBED C#CCCS(=O)(=O)NC(=O)C(C)(C)NC(=O)C(F)(F)F 810784403 DGRSLUARENCEGB-UHFFFAOYSA-N 314.285 -0.087 30 20 DBED CC(=O)NCCN(C(=O)c1cc(C#N)cn1C)[C@H](C)C(=O)O 819752719 BKULVBZCAQWXMI-SECBINFHSA-N 306.322 -0.052 30 20 DBED Cc1onc(CC(=O)N2CCN(CC#N)CC2)c1-c1nn[nH]n1 826344723 QOOTZSSVMVEHKT-UHFFFAOYSA-N 316.325 -0.627 30 20 DBED C[C@H](CN)NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 834525571 UCXLLVDQZIFGCX-SECBINFHSA-N 310.379 -0.421 30 20 DBED C[C@H](N)C[C@@H](C)NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 843503586 LKPOIKXESWFSAT-VHSXEESVSA-N 324.406 -0.033 30 20 DBED C=C(C)CONC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 846536867 DDCGBQHBQKCKKG-UHFFFAOYSA-N 316.339 -0.984 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)C2CC(OC)C2)CC1 859226393 YEZHLDPLUDNYSO-UHFFFAOYSA-N 307.394 -0.305 30 20 DBED C[C@H](O)C(=O)N1CCN(C(=O)c2cccc(C#CCO)c2)CC1 901271296 SNGJYKLXGKQHBD-ZDUSSCGKSA-N 316.357 -0.304 30 20 DBED C#CCN1CCC[C@@H](NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 923571251 AYZQGXUQCGGUTP-CHWSQXEVSA-N 315.377 -0.024 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H]2CCN(C(=O)Cc3nc[nH]n3)C2)c1 937798860 PKWMVNNIQMVIHX-JTQLQIEISA-N 313.321 -0.422 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H](NC(=O)c3ncc[nH]3)C2)nn1 937919206 MYMJOUGGLYESHG-JTQLQIEISA-N 315.337 -0.168 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)c2ccn3nnnc3c2)C1 938404065 HJWMKMKLHRRXGT-ONGXEEELSA-N 313.321 -0.385 30 20 DBED CO[C@@H](C)C(=O)N1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@H](OC)C1 941468641 LQOLHHBMTQKCRB-ZWKOPEQDSA-N 320.349 -0.123 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)CC[C@H]1NC(=O)Cn1cnnn1 945311847 KTFCPAPOALVENE-DGCLKSJQSA-N 316.365 -0.560 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3C[C@H]2N(C(=O)c2cnn[nH]2)C3)c1 946883866 ZCCZICBVJYQGOX-XXILOJSOSA-N 311.305 -0.353 30 20 DBED CN1CCOC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)C#CC1CC1 956005155 YSSGZBOHKVDESW-GJZGRUSLSA-N 319.405 -0.162 30 20 DBED C=CCN1C[C@H](O)[C@H](CNC(=O)c2c(C)c[nH]c2CC(N)=O)C1 958409979 XUYJEHFFUNWANE-YPMHNXCESA-N 320.393 -0.441 30 20 DBED N#Cc1cc(C(=O)NC2[C@H]3CN(Cc4nc(O)n[nH]4)C[C@H]23)c[nH]1 958618399 RWTBEXUSNPKPQE-UWVGGRQHSA-N 313.321 -0.430 30 20 DBED C=CCN1C[C@@H](O)[C@@H](CNC(=O)c2ccc(C(N)=O)nc2)C1 958748349 LHWPUCXLEVOGQI-WCQYABFASA-N 304.350 -0.611 30 20 DBED CN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CN(C(=O)C2CC2)C[C@@H]1O 958826964 VOCFYSJCMLMMKG-STQMWFEESA-N 302.334 -0.060 30 20 DBED C[C@H](NC(=O)c1nnn(C)n1)[C@H]1CCN(C(=O)C#CC2CC2)C1 959158144 OPCUMCCMSYTIDI-JQWIXIFHSA-N 316.365 -0.410 30 20 DBED N#CCN1CC[C@H]([C@@H]2CCCN(C(=O)Cn3ncnn3)C2)C1 961155084 JEBJUHRZLDWDGS-OLZOCXBDSA-N 303.370 -0.243 30 20 DBED C=CCN1C[C@H]2C(NC(=O)c3nc(C)n(-c4nc[nH]n4)n3)[C@@H]2C1 961415984 ADKSUQLBRHYINK-NXEZZACHSA-N 314.353 -0.460 30 20 DBED N#CCN1C[C@@H]2C(NC(=O)c3cn(C4CCOCC4)nn3)[C@H]2C1 962233535 UABUHAODIUKPRP-RYUDHWBXSA-N 316.365 -0.187 30 20 DBED C#Cc1ccc(C(=O)NC2[C@@H]3CN([C@@H]4CCN(C)C4=O)C[C@@H]23)nc1 962343912 QYGCSINUOBUUNP-UMVBOHGHSA-N 324.384 -0.046 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1[C@H]2COC[C@H]21 964317189 MPROOGIOPLYLAB-FHUSYTEZSA-N 307.350 -0.618 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)c2cn3c(n2)CCC3)C1 964620495 GYSZLNNQZAFQNK-FOGDFJRCSA-N 317.349 -0.710 30 20 DBED C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C1 968682903 VOQDZWMAVNEIRY-NEPJUHHUSA-N 318.381 -0.773 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)COC)[C@@H]2C1 971072234 AHFRTWNEMWUYAG-QLFBSQMISA-N 319.405 -0.210 30 20 DBED CN(CC#N)[C@@H]1CCN(C(=O)C2CC3(C2)CS(=O)(=O)C3)C1 971784540 KPTJAAWLRXAKNL-GFCCVEGCSA-N 311.407 -0.133 30 20 DBED O=C(N[C@H]1[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]21)[C@@H]1COCCO1 976218468 RQOITHHLNQILCK-SFDCQRBFSA-N 304.346 -0.612 30 20 DBED CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N2CCCN(CC#N)CC2)O1 981949676 USKFZAITKZIWLH-QWHCGFSZSA-N 308.382 -0.320 30 20 DBED CC(C)N1C[C@@H](C(=O)NC2CN(C(=O)[C@H](C)C#N)C2)CC1=O 993778705 DXDIBGULGCHMOY-MNOVXSKESA-N 306.366 -0.270 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCCN(CC(=O)NC)[C@@H]2C)nn1 993947117 FRVCICOCCKQLRJ-VXGBXAGGSA-N 320.397 -0.207 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)c2[nH]c(O)nc2C)C1 994051177 AHUWERZZCZNIFG-MNOVXSKESA-N 320.349 -0.045 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@@H]2CCN(C)S2(=O)=O)CC1(C)C 996403647 XBZLSZJAOUWEAI-NWDGAFQWSA-N 313.423 -0.520 30 20 DBED C#Cc1ccccc1CC(=O)NC1CN(C(=O)Cn2ncnn2)C1 997248339 VJRKWXIEFMQBTD-UHFFFAOYSA-N 324.344 -0.776 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CCN([C@H](C)C(N)=O)CC1 1003056188 MONBXOWFIKWHIB-OCCSQVGLSA-N 306.410 -0.462 30 20 DBED C[C@H](NC(=O)[C@H]1COCCN1C)C1CN(C(=O)C#CC2CC2)C1 1005927885 HEWDWXIMEJVGMG-SWLSCSKDSA-N 319.405 -0.307 30 20 DBED C#Cc1cncc(C(=O)NC[C@@H]2CC[C@H](NC(=O)C(N)=O)C2)c1 1015552287 PDGAHXNPFVHBGJ-YPMHNXCESA-N 314.345 -0.437 30 20 DBED Cn1nnc(CN[C@H]2C[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)n1 1021981089 LOFLSLSKLQPVIO-AOOOYVTPSA-N 300.326 -0.540 30 20 DBED CCc1nc[nH]c1C(=O)N[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1O 1025077802 YRYLJAWHBVGERT-FBIMIBRVSA-N 305.338 -0.567 30 20 DBED COCCN1C[C@@H](C(=O)N2C[C@@H]3CC[C@H](C2)N3CC#N)CC1=O 1029328917 KEVUMVUPUXKMBB-MELADBBJSA-N 320.393 -0.320 30 20 DBED C#CCCN1[C@H]2CC[C@H]1CN(C(=O)C[C@@H]1CC(=O)NC1=O)C2 1029608728 CROVKXKKSLOOIJ-AVGNSLFASA-N 303.362 -0.262 30 20 DBED C#CCN1CC[C@H](N(C)C(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 1033510568 UEKIOTOMRYHGHL-NSHDSACASA-N 314.349 -0.763 30 20 DBED C=CCN1CCCC[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 1034423108 FXTKGPSRILGLJI-LBPRGKRZSA-N 320.393 -0.146 30 20 DBED C=CCCN1CCO[C@H](CNC(=O)c2cc(=O)n(C)cn2)C1 1035400689 RBPXNWSRRQMYAH-GFCCVEGCSA-N 306.366 -0.213 30 20 DBED C#CCCN1CCO[C@H](CNC(=O)c2cn(C)c(=O)cn2)C1 1035451244 YZTFPSMFSMHWOH-GFCCVEGCSA-N 304.350 -0.766 30 20 DBED C=C(Cl)CN1C[C@H]2C[C@H]1[C@H]2NC(=O)CN1C(=O)CNC1=O 1037723310 SOUJPVDJWDQHSI-PTRXPTGYSA-N 312.757 -0.520 30 20 DBED C=CCO[C@H](C)C(=O)NC[C@]1(O)CCN(C(=O)c2cn[nH]c2)C1 1040160081 ALPGRFIVWFFXOD-IAQYHMDHSA-N 322.365 -0.306 30 20 DBED C=CCO[C@H](C)C(=O)NC[C@@]1(O)CCN(C(=O)c2cc[nH]n2)C1 1040161438 MJUHYDWFIFFWRE-ABAIWWIYSA-N 322.365 -0.306 30 20 DBED Cc1nnccc1C(=O)N1CC[C@@](O)(CNC(=O)[C@@H](C)C#N)C1 1040764834 ZKSIBEJQVSJMGG-ZUZCIYMTSA-N 317.349 -0.362 30 20 DBED Cc1nc[nH]c1C(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@H]1O 1041087059 HNVWDKZODBWRFD-VXGBXAGGSA-N 312.333 -0.036 30 20 DBED CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)c2ccc(C#N)[nH]2)C1 1041627181 LIFNSWDYDQQOBO-SNVBAGLBSA-N 320.349 -0.386 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)CNC(=O)C2CC2)C1 1041663156 DCVBBOCHRHAZIN-UHFFFAOYSA-N 321.377 -0.994 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)C[C@@H](C)OC)C1 1041943101 JYDWUSHIHUBARK-VXGBXAGGSA-N 312.366 -0.861 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)c2cc(C)nn2C)C1 1042040401 SCUNMMYTNAVROT-UHFFFAOYSA-N 322.365 -0.766 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)C(F)=C(C)C)C1 1042519084 VLVIYCAZBUHNRB-LLVKDONJSA-N 312.341 -0.022 30 20 DBED CO[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1NC(=O)c1nc[nH]n1 1042871106 NFJGZYPELGVNGL-GHMZBOCLSA-N 313.321 -0.295 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)Cc2nnc(C)o2)C1 1042885622 PQJNHYWXBLUWDA-UHFFFAOYSA-N 308.338 -0.424 30 20 DBED C=C[C@@H](C)[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2ncn(C)n2)C1 1042897322 GTTKGGLCHWZMAW-GHMZBOCLSA-N 321.381 -0.424 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)Cc2ccn(C)n2)C1 1042986817 ZTPCYFQOAMENMN-UHFFFAOYSA-N 318.377 -0.544 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2C2CC2)C1 1043040960 CWVRRRHWOYOWPS-FPMFFAJLSA-N 320.389 -0.240 30 20 DBED COc1cc(C(=O)NCC2(O)CN(C(=O)[C@H](C)C#N)C2)ccn1 1043799982 DFVIMHKZOQIDND-SNVBAGLBSA-N 318.333 -0.447 30 20 DBED N#Cc1nccc(N2C[C@H](O)[C@H](NC(=O)c3ccsn3)C2)n1 1044258800 RCMFJFPRHNVROV-ZJUUUORDSA-N 316.346 -0.216 30 20 DBED CCn1cc(CC(=O)N2CC(O)(CNC(=O)[C@H](C)C#N)C2)cn1 1045550935 CHCVEXSBEDOUKO-LLVKDONJSA-N 319.365 -0.705 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@@H](C)C#N)C1 1046813967 DDAIHBBRUOIOFU-TUAOUCFPSA-N 307.350 -0.573 30 20 DBED C=CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2cccn3nnnc23)C1 1047392427 HINLMDOYDYAYNX-STQMWFEESA-N 316.365 -0.183 30 20 DBED CN1CC[C@H](C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)C#CC3CC3)C2)C1 1048825159 WIAHBKZHFFCYLW-KKUMJFAQSA-N 319.405 -0.618 30 20 DBED N#CCN1C[C@H]2CN(C(=O)[C@]34C[C@H]5C[C@@H](C(=O)N3)[C@H]4C5)C[C@H]2C1 1048902256 BADJCCFZBGLPRA-PUNSREOUSA-N 314.389 -0.185 30 20 DBED C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1cnc(C(N)=O)n1 1049481731 JGXHBGRIBDCMLZ-RYUDHWBXSA-N 316.365 -0.925 30 20 DBED C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)CN1C(=O)CNC1=O 1049886660 SUDXNLJYVAZFNY-VXGBXAGGSA-N 306.366 -0.211 30 20 DBED C=CCOCC(=O)N1CC[C@@H]([C@@H](C)NC(=O)c2cnnn2C)C1 1050297647 OFDDCODCUYQTON-VXGBXAGGSA-N 321.381 -0.016 30 20 DBED N#CCN1CCC2(CC1)CN(C(=O)C[C@H]1CC(=O)NC1=O)C2 1050775268 KZJICXKHAYRLHG-LLVKDONJSA-N 304.350 -0.513 30 20 DBED CC#CCN1CCOC[C@H]1CNC(=O)c1cnc(OC)nc1 1051193706 KOOUAVQSKBXAPL-CYBMUJFWSA-N 304.350 -0.061 30 20 DBED C#CCCN1CCOC[C@H]1CNC(=O)[C@@H]1CCc2nn[nH]c2C1 1051208900 FNGPJNMOTCGCII-CHWSQXEVSA-N 317.393 -0.250 30 20 DBED CC#CCN1CCOC[C@H]1CNC(=O)c1nccnc1C(N)=O 1051237285 OYYKCXNBZYGHKD-LLVKDONJSA-N 317.349 -0.971 30 20 DBED Cn1nccc1C(=O)N1CC[C@H](N2CCN(CC#N)CC2)C1 1051996759 TUBMEHACCZLLLO-ZDUSSCGKSA-N 302.382 -0.224 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCCN(CC(N)=O)CC1 1052456959 MDXPPRJDWJDWDF-KGLIPLIRSA-N 306.410 -0.460 30 20 DBED N#CCN1CC2(C1)CN(C(=O)[C@H]1CCc3n[nH]cc3C1)CCO2 1053506950 WPWKZOCPULOLLK-LBPRGKRZSA-N 315.377 -0.049 30 20 DBED N#CCN1CC2(C1)CN(C(=O)C[C@H]1CCCCC(=O)N1)CCO2 1053517343 PEBCBNWPQGQDAE-CYBMUJFWSA-N 320.393 -0.128 30 20 DBED C=CCN1CC2(CC[C@H](CNC(=O)c3cn(C)c(=O)n3C)O2)C1 1053700754 BWOYRIDGENEILR-GFCCVEGCSA-N 320.393 -0.127 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)[C@@H]3CCc4cncn4C3)CO2)C1 1053852759 PYQMZFZYRDSLPG-CHWSQXEVSA-N 315.377 -0.071 30 20 DBED C=CCN[C@@H]1CN(C(=O)c2nc(C)n(-c3nc[nH]n3)n2)C[C@@H]1C 1054955879 ZVZISZCQGNPHPA-GXSJLCMTSA-N 316.369 -0.070 30 20 DBED C[C@H](C#N)C(=O)N[C@]1(CO)CCCN(C(=O)c2ncccn2)C1 1056095738 DFGDPBROXBLKHV-IAQYHMDHSA-N 317.349 -0.280 30 20 DBED N#Cc1cncc(N2C[C@H]3C(NC(=O)Cn4cncn4)[C@@H]3C2)n1 1056218556 WGJHILIZTTVFFB-GHMZBOCLSA-N 310.321 -0.809 30 20 DBED N#Cc1cnc(N2C[C@H]3C(NC(=O)Cc4cnc[nH]4)[C@@H]3C2)cn1 1056427899 AGWFYQMOZGOWRY-VXGBXAGGSA-N 309.333 -0.135 30 20 DBED N#Cc1nccnc1N1C[C@@H]2C(NC(=O)Cc3cnc[nH]3)[C@H]2C1 1056428619 OIOLDCFTWQQCDA-QWRGUYRKSA-N 309.333 -0.135 30 20 DBED CS(=O)(=O)CC(=O)N1CC[C@@H](Nc2ccc(C#N)nn2)C1 1056581002 ZCIORIFKWNTSAH-SNVBAGLBSA-N 309.351 -0.594 30 20 DBED Cn1cnc(C(=O)N2CCCN(c3cncc(C#N)n3)CC2)n1 1057132536 PWHQYXPQFXKBSB-UHFFFAOYSA-N 312.337 -0.171 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1057543698 UGMZBVVJZPPAIS-VXGBXAGGSA-N 311.338 -0.752 30 20 DBED CS(=O)(=O)CC(=O)N1CCC[C@@H](Nc2nccnc2C#N)C1 1057578144 SSVAMMCBDCJOLR-SNVBAGLBSA-N 323.378 -0.204 30 20 DBED CN1CCO[C@@H](C(=O)N[C@H]2CCN(c3cncc(C#N)n3)C2)C1 1058317110 OVCHYVWDCGRVPL-WCQYABFASA-N 316.365 -0.626 30 20 DBED CC(C)(C)C#CC(=O)NCCN(CCO)C(=O)c1nc[nH]n1 1058378507 BYKIDTVYBOYNRD-UHFFFAOYSA-N 307.354 -0.595 30 20 DBED C[C@@H]1OCCO[C@@H]1C(=O)N[C@@H]1CCN(c2cncc(C#N)n2)C1 1058590926 QQMCMBHIDOFDPK-WDMOLILDSA-N 317.349 -0.153 30 20 DBED N#Cc1cncc(N2CCC3(CC2)C[C@@H]3NC(=O)C(N)=O)n1 1058646112 XRWRNRPWQZGXTR-JTQLQIEISA-N 300.322 -0.691 30 20 DBED COCC1(C(=O)NCCN(CCO)C(=O)[C@H](C)C#N)CCC1 1058661188 QRCDACKJAPOXQZ-GFCCVEGCSA-N 311.382 -0.100 30 20 DBED C[C@H]1CN(C)C[C@H]1C(=O)N(CCO)CCNC(=O)C#CC1CC1 1058849269 QGSWJIOMEXWDGV-DZGCQCFKSA-N 321.421 -0.465 30 20 DBED N#Cc1cnc(N[C@H]2C[C@H](NC(=O)[C@@H]3CCCNC3=O)C2)cn1 1059325494 LNTRZRRNDXXTRP-CKYFFXLPSA-N 314.349 -0.066 30 20 DBED C#CCO[C@@H](C)C(=O)NCC[C@@H]1CCN(C(=O)c2cnn[nH]2)C1 1059904232 VDDCWSZXVSLRAP-NWDGAFQWSA-N 319.365 -0.189 30 20 DBED C=CCOCC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H](CC)OC 1061397626 WWVKDXIPDHVNPU-QWHCGFSZSA-N 314.382 -0.042 30 20 DBED C=CCOCC(=O)NC[C@H]1COCCN1C(=O)COCCC 1061421454 PPFVYSQZOCOFOX-ZDUSSCGKSA-N 314.382 -0.041 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)CCc1nc[nH]n1 1061847164 RKHQIWQXUKQDJZ-WDEREUQCSA-N 320.353 -0.759 30 20 DBED Cc1nonc1CC(=O)NC[C@H]1COCCN1C(=O)[C@H](C)C#N 1061855397 OAZQARMCJURNEB-KOLCDFICSA-N 321.337 -0.576 30 20 DBED N#Cc1cnc(N2C[C@@H]3C[C@H]2CN3C(=O)Cn2nccn2)cn1 1062534699 PKWHPCOVGLTZPB-RYUDHWBXSA-N 310.321 -0.571 30 20 DBED CN(C(=O)[C@@H]1CNC(=O)N1)[C@H]1CCN(c2cnc(C#N)cn2)C1 1063024421 BXIHSOXKZJRTLV-QWRGUYRKSA-N 315.337 -0.933 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(NC(=O)c2nnn(C)n2)CCC1 1063046206 JMTAIZIZRFXWOX-SNVBAGLBSA-N 320.353 -0.983 30 20 DBED C[C@@H]1CN(C(=O)CC(N)=O)CC[C@H]1N=c1cc[nH]c(C#N)n1 1063712776 DFFMQGVLIIRBQV-NXEZZACHSA-N 302.338 -0.706 30 20 DBED N#Cc1nccnc1N1CC[C@@H]2CN(C(=O)C(N)=O)CC[C@H]21 1064032496 AIXNIBBAMMGMBY-MWLCHTKSSA-N 300.322 -0.739 30 20 DBED CCn1nncc1C(=O)N[C@H]1[C@H]2C[C@H]1N(c1nccnc1C#N)C2 1064246781 USERZRUIGXCILR-NDMJEZRESA-N 324.348 -0.033 30 20 DBED CC#CCCCC(=O)NC[C@@H]1CN(C(=O)CNC(N)=O)CCO1 1064839311 BBYQJVFUNAATQD-GFCCVEGCSA-N 324.381 -0.808 30 20 DBED N#Cc1ccc(NC[C@@H]2CCCN2C(=O)[C@H]2C[C@H]2C(N)=O)nn1 1065012781 WJJOGYNAESPNLU-TUAOUCFPSA-N 314.349 -0.127 30 20 DBED C[C@H]1CN(C(=O)c2cnnn2C)C[C@@H]1N=c1cc[nH]c(C#N)n1 1067085699 GLOCWTNOIUPMMR-UWVGGRQHSA-N 312.337 -0.529 30 20 DBED N#Cc1cnc(N2C[C@H](O)[C@H](CNC(=O)c3ccccn3)C2)cn1 1067643133 QMRXWCIQEDQSNB-RISCZKNCSA-N 324.344 -0.030 30 20 DBED N#Cc1cncc(N2CC[C@]3(NC(=O)C(N)=O)CCC[C@H]23)n1 1069281754 BJCGPVPPADPAMG-IINYFYTJSA-N 300.322 -0.549 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2cc(OC)no2)C[C@@H]1n1ccnn1 1070180752 CVZBOCNNHSOGFB-MNOVXSKESA-N 316.321 -0.437 30 20 DBED C#CCN[C@@H]1CN(C(=O)Cc2cnc(C)o2)C[C@@H]1n1ccnn1 1070207686 JGGJQQPMIILONO-KGLIPLIRSA-N 314.349 -0.208 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCC[C@@H](NC(=O)c2nnn(C)n2)C1 1070663364 ASAVEMWHUNXHST-QMTHXVAHSA-N 322.369 -0.742 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC[C@@H](NC(=O)CNC(=O)CC)C1 1070726673 FSGUMDNYCMUBOH-QWHCGFSZSA-N 323.393 -0.342 30 20 DBED Cn1nnc(C(=O)N2CCC[C@@H](NC(=O)CSCC#N)C2)n1 1071108978 YOHYGGOGILMPOP-SECBINFHSA-N 323.382 -0.812 30 20 DBED C#CCCN1CCO[C@@H]2CCN(C(=O)Cc3n[nH]c(C)n3)C[C@H]21 1074237682 DAVXRFWIFVWABT-ZIAGYGMSSA-N 317.393 -0.019 30 20 DBED C=CCN1CCO[C@H]2CCN(C(=O)CN3CCCNC3=O)C[C@H]21 1074285077 UXSSCJYLBBPHRY-KGLIPLIRSA-N 322.409 -0.111 30 20 DBED CC(C)[C@@H](O)C(=O)N1CCC(O)(CNC(=O)C#CC2CC2)CC1 1074571634 IFJVPCYIDWXMQV-OAHLLOKOSA-N 322.405 -0.114 30 20 DBED C=CCOCC(=O)N[C@@H](C)CCNC(=O)[C@@H]1CCNC(=O)C1 1076136134 WWLGCLJMRJBBDT-NWDGAFQWSA-N 311.382 -0.274 30 20 DBED N#CCN1C[C@@H]2CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)[C@@H]2C1 1076458576 APCNHYSQSYSTLB-GXSJLCMTSA-N 313.321 -0.913 30 20 DBED C=CCN1CC[C@@H](N2C[C@@H](O)[C@H](NC(=O)C(F)F)C2)C1=O 1076659711 FRDVAWQYPDNQGO-OPRDCNLKSA-N 303.309 -0.800 30 20 DBED Cc1noc(CN2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)n1 1076906334 WDMJCMYZGMOLNK-VXGBXAGGSA-N 316.321 -0.447 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)c2cc(O)nc3ncn(C)c23)C1 1077117291 VUBABQBMCUJXCK-GHMZBOCLSA-N 317.349 -0.365 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2ccc(Cn3ccnn3)o2)C1 1077429593 ZBOHWYWLCGZWLX-VXGBXAGGSA-N 316.321 -0.782 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)c2cncc(C(N)=O)c2)C1 1078193039 ABKMLLVPESLCIG-CHWSQXEVSA-N 304.350 -0.469 30 20 DBED C=CCO[C@H](C)C(=O)N1CCC[C@@H](N(C)C(=O)C(N)=O)CC1 1079054411 IPAFFTQWHGECMW-VXGBXAGGSA-N 311.382 -0.098 30 20 DBED C#CCCCC(=O)N1CCC2(CC1)CN(C(=O)C(N)=O)CCO2 1079144784 ZSODMBFSWTXBQS-UHFFFAOYSA-N 321.377 -0.505 30 20 DBED C=CCCC(=O)N1CCC(CO)(NC(=O)c2ncn(C)n2)CC1 1080844170 PPLYSQBXVFVKHO-UHFFFAOYSA-N 321.381 -0.135 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2cnn(C)c2)C1 1081248365 OVMPKDIDLNTTNY-TZMCWYRMSA-N 318.377 -0.371 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)c2cnccn2)C[C@@H]1O 1081460312 FVHFTWKJIUHNLY-JSGCOSHPSA-N 316.361 -0.315 30 20 DBED C=CCCC1(C(=O)N2C[C@@H](O)[C@H](CNC(=O)C(N)=O)C2)CC1 1081719283 PBKJXJALIFGRIR-GHMZBOCLSA-N 309.366 -0.846 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)[C@@]2(C)CCNC2=O)C1 1083774484 JIKGZFSTQUEABW-NRUUGDAUSA-N 301.774 -0.574 30 20 DBED CN(C)C(=O)CN1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H](O)C1 1090199313 HFKBXLNHENIDQT-YPMHNXCESA-N 319.365 -0.860 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2ccc(C(N)=O)o2)[C@@H](O)C1 1090421006 SCAGZHTWNMBLAD-QWRGUYRKSA-N 305.334 -0.433 30 20 DBED N#Cc1ccc(CN2CC[C@H](NC(=O)C(N)=O)[C@@H](O)C2)c(F)c1 1090533845 KWCOGONNLALGLV-STQMWFEESA-N 320.324 -0.766 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2nccn3ccnc23)[C@@H](O)C1 1090580551 KLIRJAYXLSCMHX-STQMWFEESA-N 313.361 -0.082 30 20 DBED C[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1NC(=O)CS(C)(=O)=O 1090663507 ZVRBZVCIXKHMDG-NXEZZACHSA-N 323.378 -0.666 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2ccc3oc(O)nc3n2)[C@H](O)C1 1090721940 JBLGSRTZBJHDEQ-MWLCHTKSSA-N 316.317 -0.273 30 20 DBED CO[C@H](C)C(=O)N[C@@H]1CN(c2ccc(C#N)c(C)n2)C[C@@H]1O 1091067681 MZIAFYOEIPLPHB-RTXFEEFZSA-N 304.350 -0.038 30 20 DBED N#CCNC1CCC2(CC1)CN(C(=O)Cn1ncnn1)CCO2 1093398076 KVTSWSDXTPARSX-UHFFFAOYSA-N 319.369 -0.674 30 20 DBED Cc1nsc(NCCNC(=O)CN2C(=O)CNC2=O)c1C#N 1093622136 KSUOFGXFWCHIIO-UHFFFAOYSA-N 322.350 -0.597 30 20 DBED N#Cc1nc(=NCCNC(=O)CCOC[C@H]2CCCO2)cc[nH]1 1094242682 WVKUKZLDSMXLDE-GFCCVEGCSA-N 319.365 -0.116 30 20 DBED N#Cc1c[nH]ccc1=NCCCNC(=O)Cn1cnnc1O 1094373300 CHKQPLVAXFXXLJ-UHFFFAOYSA-N 301.310 -0.709 30 20 DBED CC[C@H](OC)C(=O)N1CCN(CC#N)[C@H]2CS(=O)(=O)C[C@H]21 1094614899 UQUJZOPNXKJFPL-TUAOUCFPSA-N 315.395 -0.755 30 20 DBED CN(CCCNC(=O)[C@@]1(C)CNC(=O)C1)c1ccc(C#N)nn1 1095682014 RUUMKPFYFDLAFJ-OAHLLOKOSA-N 316.365 -0.183 30 20 DBED C#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1c[nH]nc1S(N)(=O)=O 1095990383 PSYSXULDOXHULY-MIMYLULJSA-N 323.378 -0.975 30 20 DBED Cc1nc(O)nc(O)c1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC#N 1096229700 NFCMIGSADCRPMG-USWWRNFRSA-N 317.349 -0.016 30 20 DBED CNC(=O)NCCC(=O)N[C@@H]1CCN(c2ccnc(C#N)n2)C1 1096368241 BVPGUSVDHJJNKQ-SNVBAGLBSA-N 317.353 -0.638 30 20 DBED C[C@H](CNC(=O)CN1C(=O)CNC1=O)Nc1ccc(C#N)nc1 1097837196 IGAJUUWXVWHEHE-SECBINFHSA-N 316.321 -0.578 30 20 DBED N#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 1099025699 HSTOYGXHKVGWTE-OHTBPHCPSA-N 306.366 -0.486 30 20 DBED C[C@H](NC(N)=O)C(=O)NCC[C@@H](C)Nc1ccc(C#N)nn1 1099040571 GISUDFJSOLPIIN-BDAKNGLRSA-N 305.342 -0.288 30 20 DBED C=CCNC(=O)CN1CC(C)(C)CC[C@@H]1CNC(=O)C(N)=O 1099203829 SKAYNTIAVFLXJZ-LLVKDONJSA-N 310.398 -0.619 30 20 DBED Cn1nccc1CN1CC[C@H](NC(=O)CSCC#N)[C@H](O)C1 1099689371 FWXXSYANOCMRGF-QWHCGFSZSA-N 323.422 -0.272 30 20 DBED C=CCN1CC[C@@H](NC(=O)C(C)(C)NC(=O)NCC)[C@@H](O)C1 1100024309 HIXRJKAJEJHFSC-NEPJUHHUSA-N 312.414 -0.179 30 20 DBED C=C(Cl)CN1CC[C@@H](NC(=O)COCCN(C)C)[C@@H](O)C1 1100073939 HQYUNNTUMRIXMD-OLZOCXBDSA-N 319.833 -0.132 30 20 DBED CCn1cnc(C(=O)N[C@H]2CCN(CC#CCOC)C[C@H]2O)c1 1100074511 OTSYZVIXAQVDRH-DZGCQCFKSA-N 320.393 -0.282 30 20 DBED C=CCN1CC[C@H](NC(=O)CS(=O)(=O)C(C)(C)C)[C@@H](O)C1 1100077215 YYSIJPHQDMVXEQ-RYUDHWBXSA-N 318.439 -0.063 30 20 DBED C=CCCOCC(=O)N[C@@H]1CCN(Cc2ncnn2C)C[C@H]1O 1100139285 OPALQFDHEZMTHN-CHWSQXEVSA-N 323.397 -0.541 30 20 DBED CCOCCOCC(=O)NCCN(C)c1cnc(C#N)cn1 1100160624 CRILBFGMWWGPAG-UHFFFAOYSA-N 307.354 -0.046 30 20 DBED CN(CCNC(=O)C[C@H]1CCC(=O)NC1)c1nccnc1C#N 1100182482 GYJHSWIXRUNXPY-LLVKDONJSA-N 316.365 -0.183 30 20 DBED C#CCNC(=O)[C@H](C)NC1CC(CNC(=O)CC2(O)CCC2)C1 1100311240 GMMOVFIOXOEVIC-HSBZDZAISA-N 321.421 -0.086 30 20 DBED C[C@@H](C(=O)NCCN(C)c1nccnc1C#N)[C@H]1CCC(=O)N1 1100334101 RWFHKIISLCDWQS-GHMZBOCLSA-N 316.365 -0.185 30 20 DBED CCN(CCNC(=O)[C@H]1COCCN1C)c1cncc(C#N)n1 1100491677 OBWWAXWVRDIPJV-CYBMUJFWSA-N 318.381 -0.379 30 20 DBED C#CCO[C@H](C)C(=O)NCCN(CC)c1ccc2nnnn2n1 1100620549 OIMIPJKWOQVYMA-LLVKDONJSA-N 317.353 -0.500 30 20 DBED CCCN(CCNC(=O)[C@H]1C[C@H]1C(N)=O)c1cnc(C#N)cn1 1101240294 BKTHXMJFVYGYAC-NEPJUHHUSA-N 316.365 -0.198 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)c1cnn2ncccc12 1102018223 RLLOKBCXFROIHX-UHFFFAOYSA-N 322.332 -0.003 30 20 DBED CC(=O)NCC(=O)N1CC[C@H](CN(C)c2ccc(C#N)nn2)C1 1102425535 ZXIGPQVASDCYCE-GFCCVEGCSA-N 316.365 -0.231 30 20 DBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)Cc2ncc[nH]2)C1 1102480984 PQWVCDFMQYOLOK-CHWSQXEVSA-N 317.393 -0.614 30 20 DBED CC(=O)NCC(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(C#N)nn1 1102535048 CCEQDLJTKBFOTM-RYUDHWBXSA-N 300.322 -0.726 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H](CC)Nc1nccn2nnnc12 1103197770 GDNHOQDGLQNJOS-QWRGUYRKSA-N 317.353 -0.136 30 20 DBED CC[C@H](CNC(=O)c1c[nH]c(=O)cn1)N=c1cc[nH]c(C#N)n1 1103284579 UAIUZHLJVQBPSH-SECBINFHSA-N 313.321 -0.526 30 20 DBED CCC(=O)N[C@@H](C)C(=O)NC[C@H](CC)N=c1cc[nH]c(C#N)n1 1103345451 ILXVBSLPFLZDKR-QWRGUYRKSA-N 318.381 -0.008 30 20 DBED CC[C@@H](CNC(=O)[C@H]1OCCO[C@H]1C)N=c1cc[nH]c(C#N)n1 1103360963 CAOZYJUGHAUQCK-MJVIPROJSA-N 319.365 -0.119 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCN(C)C1=O)CNc1cnc(C#N)cn1 1104158906 DYJKBFZRSVMTPB-ZYHUDNBSSA-N 316.365 -0.009 30 20 DBED C[C@H](CNC(=O)[C@@H]1CCN(C)C1=O)CNc1nccnc1C#N 1104159251 NAVDNAITRJNTAW-QWRGUYRKSA-N 316.365 -0.009 30 20 DBED C#CCNCc1cn(C2CN(C(=O)[C@@H]3CO[C@@H](C)C3)C2)nn1 1105271111 WSVARUGFQRDTEF-RYUDHWBXSA-N 303.366 -0.191 30 20 DBED N#Cc1cncc(NC[C@@H](O)CNC(=O)c2cnsn2)n1 1105723365 NMBAMYVFWSNSFR-MRVPVSSYSA-N 305.323 -0.597 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@H](O)CNc1cnc(C#N)cn1 1105805918 MDIAQGHXZUWLFU-BXUZGUMPSA-N 305.338 -0.436 30 20 DBED Cc1cc(=NC[C@@H](O)CNC(=O)CCCC(N)=O)c(C#N)c[nH]1 1105883455 UUDWYYJGUMFEBR-GFCCVEGCSA-N 319.365 -0.772 30 20 DBED C[C@H](CCNc1nccnc1C#N)NC(=O)Cn1cnnn1 1106192790 JLAXANNREUPJQI-SECBINFHSA-N 301.314 -0.658 30 20 DBED C[C@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)[C@@H]1CCN(C)C1=O 1106532181 ZPKCUPZNJHOIGW-MNOVXSKESA-N 316.365 -0.445 30 20 DBED CNC(=O)CN1CCO[C@@](C)(CNC(=O)CSCC#N)C1 1107751873 LJVDYLREAADPPZ-ZDUSSCGKSA-N 314.411 -0.804 30 20 DBED C#CCNC(=O)CN1CCO[C@@](C)(CNC(=O)c2cocn2)C1 1107812801 FZXQZJHTOIKVQV-HNNXBMFYSA-N 320.349 -0.755 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)c1cc(C(N)=O)c[nH]1 1107890327 XYFMPBROIYWZQM-MRVPVSSYSA-N 313.321 -0.572 30 20 DBED C#CCCN1CCO[C@@](C)(CNC(=O)CN2CCCNC2=O)C1 1108048904 FZASVNPLPFQSDY-INIZCTEOSA-N 322.409 -0.368 30 20 DBED COCC#CCN1CCO[C@](C)(CNC(=O)c2ncccn2)C1 1108294703 JTENBRKPAYGXQK-MRXNPFEDSA-N 318.377 -0.053 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CC(=O)N(C2CN(Cc3cnon3)C2)C1 1108528803 ZAORNBFKXXTUMM-UWVGGRQHSA-N 318.337 -0.869 30 20 DBED C#CCCCC(=O)N[C@H]1CC(=O)N(C2CN(CCOC)C2)C1 1108538147 BZODZCUZRFZCGZ-ZDUSSCGKSA-N 307.394 -0.162 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)[C@H](C3CC3)N(C)C)CC2=O)C1 1108552568 PAZSKVGJSBRHKN-CJNGLKHVSA-N 318.421 -0.639 30 20 DBED C#CCOCCC(=O)NC[C@H]1CN(c2nccc(C)n2)C[C@@H]1O 1112738796 RSORSYHKVSPAQY-KBPBESRZSA-N 318.377 -0.262 30 20 DBED C[C@H](N=c1cc[nH]c(C#N)n1)[C@H](C)NC(=O)COCCN(C)C 1113096261 IZPVXVXWTFPULB-RYUDHWBXSA-N 320.397 -0.347 30 20 DBED Cc1cc(C#N)nc(N[C@@H](C)[C@H](C)NC(=O)c2nnn(C)n2)n1 1113259373 SLNSOOPWEWVVME-IUCAKERBSA-N 315.341 -0.201 30 20 DBED COC(=O)NCC(=O)NC[C@H](C)N(C)c1cncc(C#N)n1 1113513219 YFUNHAJCRNQLFC-VIFPVBQESA-N 306.326 -0.355 30 20 DBED C[C@@H](CNC(=O)[C@H]1CN(C)CCO1)N(C)c1cnc(C#N)cn1 1113534009 QEEFOXOSTPBRJS-WCQYABFASA-N 318.381 -0.380 30 20 DBED C[C@@H](CNC(=O)C1CS(=O)(=O)C1)N(C)c1ccc(C#N)nc1 1113734105 WRCZKLHHYYRDOD-JTQLQIEISA-N 322.390 -0.061 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)c3nccn3CC)[C@H]2C1 1114188805 HCLHPSFQACKGLB-RYUDHWBXSA-N 317.393 -0.135 30 20 DBED O=C(C#CC1CC1)N[C@H]1[C@@H]2CN(CC(=O)NCC3CC3)C[C@@H]21 1114253610 RHAIOFOXYMSKJC-HALDLXJZSA-N 301.390 -0.028 30 20 DBED CS(=O)(=O)CC1(CC(=O)NC2[C@H]3CN(CC#N)C[C@H]23)CC1 1114283171 OADQGABTABLTQW-QWRGUYRKSA-N 311.407 -0.229 30 20 DBED N#Cc1ccc(N2C[C@@H]3C(CNC(=O)Cn4ncnn4)[C@H]3C2)cn1 1114573787 BZOKSSRJUJHGQZ-ZIAGYGMSSA-N 324.348 -0.562 30 20 DBED N#Cc1cnc(N2C[C@H]3C(CNC(=O)Cn4nccn4)[C@@H]3C2)cn1 1114580815 UMTZKOQQKSQYPL-STQMWFEESA-N 324.348 -0.562 30 20 DBED C=CCCCC(=O)NC1[C@@H]2CN([C@@H](C)C(=O)NC(N)=O)C[C@@H]12 1114759215 DUBATGJDWHURKA-HBNTYKKESA-N 308.382 -0.028 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3cncc(C#C)c3)[C@H]2C1 1114808837 ZJADKIVOARUBQT-GJZGRUSLSA-N 322.368 -0.528 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)[C@@H]3CCCCC(=O)N3)[C@@H]2C1 1114819226 LSUXHHZXUQCTNB-MCIONIFRSA-N 319.405 -0.259 30 20 DBED C[C@H](CN1CCOCC1)NC(=O)C(=O)N1CC[C@](F)(C#N)C1 1117038586 ZZNMPXMWAYHRKZ-RISCZKNCSA-N 312.345 -0.713 30 20 DBED N#CCNC(=O)CNS(=O)(=O)c1cccc2c1COC2=O 1117136840 NDWDKFGTOWNMAN-UHFFFAOYSA-N 309.303 -0.725 30 20 DBED COCCN(C)CCNC(=O)C(=O)N1CC[C@@](F)(C#N)C1 1117152448 NHWHNBAIPYRSDL-CYBMUJFWSA-N 300.334 -0.855 30 20 DBED Cc1nnc(CNC(=O)C(=O)N2CCC[C@@](C)(C#N)C2)n1C 1117171550 BSYSRGVPFOCUSB-AWEZNQCLSA-N 304.354 -0.108 30 20 DBED N#Cc1ncn(CC(=O)NCc2nnnn2-c2ccccc2)n1 1118619364 ZYDPWEXZABSAQW-UHFFFAOYSA-N 309.293 -0.558 30 20 DBED C#CC1CCN(c2nnnn2CCCS(=O)(=O)NC)CC1 1120168268 VKXLXEGISPXICX-UHFFFAOYSA-N 312.399 -0.538 30 20 DBED Cc1cc(=N[C@@H](CO)CNC(=O)[C@H]2CCCO2)c(C#N)c[nH]1 1121184886 WDJYAMVINBCYLC-TZMCWYRMSA-N 304.350 -0.248 30 20 DBED C=CC(C)(C)C(=O)NC[C@H](CO)N=c1cc[nH]c(C(=O)OC)n1 1122310004 HQHKLEACZNCREE-SNVBAGLBSA-N 322.365 -0.214 30 20 DBED C=C(C)CN(CC)C(=O)CNCCNC(=O)[C@H](C)NC(C)=O 1123072799 YHHFQENLPXCHSF-LBPRGKRZSA-N 312.414 -0.359 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)c1ccc(O)nn1 1123092506 YVTAIJXYYKRBDA-UHFFFAOYSA-N 320.353 -0.736 30 20 DBED CN(C[C@H](O)CNc1ccc(C#N)nn1)C(=O)[C@H]1CCCO1 1124066217 STRAGLTVYUQSAW-VXGBXAGGSA-N 305.338 -0.242 30 20 DBED CN(C)C(=O)CC(=O)N(C)C[C@@H](O)CNc1nccnc1C#N 1124797987 MDXJLULFFHFLIP-JTQLQIEISA-N 320.353 -0.942 30 20 DBED C=CCC[C@H](C)NCCNC(=O)Cn1ccc(=O)n(C)c1=O 1128763626 DVIUOEAXDNJQJB-LBPRGKRZSA-N 308.382 -0.393 30 20 DBED CC#CCN[C@@H]1CN(C(=O)[C@]2(F)CCOC2)C[C@@H]1n1ccnn1 1129977822 HHRVKIRDKYFMHC-IPYPFGDCSA-N 321.356 -0.229 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@H]1CCc2nccn2C1 1130478062 RNQKQGGQZGSMRV-LBPRGKRZSA-N 305.382 -0.547 30 20 DBED C=C(C)CCN1CCOC[C@@H]1c1n[nH]c(CNC(=O)C(N)=O)n1 1130857148 SZXWJSIBYQPOPT-SNVBAGLBSA-N 322.369 -0.754 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)c1cnc2nccn2c1 1131343153 VMRGGRHYIYPSGZ-NSHDSACASA-N 316.365 -0.261 30 20 DBED C[C@@H]1CC[C@H](NC(=O)Cc2ncc[nH]2)CN1CC(=O)NCC#N 1132380250 HPWXSRWUDZVMHO-NEPJUHHUSA-N 318.381 -0.439 30 20 DBED CCN(C)CCC(=O)N[C@@H]1CC[C@@H](C)N(CC(=O)NCC#N)C1 1132409725 DCJVWXCAWUBPSL-ZIAGYGMSSA-N 323.441 -0.063 30 20 DBED N#Cc1ccc(CNCCNC(=O)CCCS(N)(=O)=O)cc1 1133151730 HFLVPWZMHQDVML-UHFFFAOYSA-N 324.406 -0.167 30 20 DBED C#CCNC[C@@H]1CN(C(=O)C2CC(=O)NC(=O)C2)CC[C@H]1C 1133165196 CRHACRALRROXKR-DGCLKSJQSA-N 305.378 -0.253 30 20 DBED C#CCNC[C@H]1CN(C(=O)CS(=O)(=O)NC)CC[C@@H]1C 1133332899 ARTIESQCZKZLHV-RYUDHWBXSA-N 301.412 -0.757 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)c1ccncn1 1135539030 FRGXDKNDTVWSLY-UHFFFAOYSA-N 303.366 -0.003 30 20 DBED COCC#CCN[C@@H](C)C[C@@H](C)NC(=O)CN1C(=O)CNC1=O 1136127593 RSLOLWGBILRXHS-NWDGAFQWSA-N 324.381 -0.939 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)C(=O)N1CC[C@H](C)C1 1147195709 QFHFWINYRFCANX-NWDGAFQWSA-N 310.398 -0.749 30 20 DBED COCC#CCN1CCC2(C1)CN(C(=O)CCn1ccnn1)C2 1147403620 NAVJMDVHGRZPTN-UHFFFAOYSA-N 317.393 -0.148 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)[C@@H](OC)c2cnn(C)c2)C1 1150036673 QMHPOLLFYSPOFX-CABCVRRESA-N 320.393 -0.052 30 20 DBED CN(C)C(=O)CCCC(=O)NC[C@@H]1CN(CC#N)CCCO1 1150614239 VCNNQCXWVDCCCX-CYBMUJFWSA-N 310.398 -0.024 30 20 DBED COCCC1(NC(=O)c2nnn(C)n2)CCN(CC#N)CC1 1151241607 AJKAFWHAESEBCV-UHFFFAOYSA-N 307.358 -0.665 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H](C)N(CC)Cc1ncccn1 1152882929 LGWICKZBECQBHA-CYBMUJFWSA-N 317.393 -0.057 30 20 DBED CCN(CC#CCOC)[C@H](C)CNC(=O)[C@@H]1CCN(C)C1=O 1154719513 FOTAXMJEEMLTDZ-KGLIPLIRSA-N 309.410 -0.059 30 20 DBED C#CCCN(CC)[C@H](C)CNC(=O)[C@H](C)NS(C)(=O)=O 1155451887 RYSHCRQAPKQYGZ-NEPJUHHUSA-N 303.428 -0.226 30 20 DBED C#CCNC(=O)CNCC1(CCNC(=O)c2ccon2)CC1 1163603997 JWQAFVSOJFKDRA-UHFFFAOYSA-N 304.350 -0.086 30 20 DBED CCC(=O)N1CC[C@H](C(=O)NCCCNCC#CCOC)C1 1170369743 NTIIEAPXGCEKQI-AWEZNQCLSA-N 309.410 -0.009 30 20 DBED C#CCCNC[C@@H]1CCN(C(=O)Cn2ncn(C)c2=O)C[C@@H]1C 1184684689 SHCHYAOBICPCNZ-KBPBESRZSA-N 319.409 -0.321 30 20 DBED C=CCC[C@@H](C)N[C@@H]1CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)C1 1186119556 SFAANOAQTZJNFA-BNOWGMLFSA-N 324.425 -0.088 30 20 DBED C=CCOCC(=O)N[C@@H]1CN([C@H](C)c2cnccn2)C[C@H]1O 1191772349 ZBAZECWVMDRZNM-MRVWCRGKSA-N 306.366 -0.099 30 20 DBED CCOC1CC(C(=O)N[C@@H]2CN(CC#CCOC)C[C@H]2O)C1 1192632213 FATWMFCUROMXMQ-NEXFUWMNSA-N 310.394 -0.387 30 20 DBED CC#CCN(C)[C@@H]1CCN(C(=O)[C@H](CCC(N)=O)NC(C)=O)C1 1192876821 IXGRXNIEDXJIRY-KGLIPLIRSA-N 322.409 -0.687 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)COc2c(C)nn(C)c2C)C1 1193032667 YCAVAFFRDRCXCL-ZIAGYGMSSA-N 320.393 -0.400 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)Cc2nonc2C)C1 1193170630 MVLMLICJRVBQJY-GFCCVEGCSA-N 319.365 -0.797 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)C23CCN(CC2)C3)CC1 1197824576 PIRLADHQHHYIBI-UHFFFAOYSA-N 320.437 -0.081 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2nc(C)no2)C[C@H]1O 1199313509 KKDBZOGVIIWMLC-MVWJERBFSA-N 310.354 -0.370 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC(N[C@H]2CCCNC2=O)CC1 1200531511 DZWBOHQLQZCUJF-OCCSQVGLSA-N 307.394 -0.116 30 20 DBED Cc1ncnc(O)c1C(=O)N1CCCO[C@H](CNCC#N)C1 1201225949 RPKVEGOKZYVRQL-LLVKDONJSA-N 305.338 -0.165 30 20 DBED C#Cc1cncc(C(=O)N2CCCO[C@@H](CNCCO)C2)c1 1201382915 YYFZOFUTALEZOI-HNNXBMFYSA-N 303.362 -0.124 30 20 DBED COCC#CCNC[C@H]1CN(C(=O)c2cnon2)CCCO1 1201688965 WQDUONITZTWEDI-LBPRGKRZSA-N 308.338 -0.460 30 20 DBED NC(=O)NC(=O)CN[C@@H]1C[C@@H](NC(=O)C#CC2CC2)C12CCC2 1202889434 XJEHYXAMTPXRTA-VXGBXAGGSA-N 318.377 -0.388 30 20 DBED C#CCCN[C@H]1C[C@H]2CC[C@H]1N(C(=O)CN1CCOCC1=O)C2 1204444921 SWYRMEKTCGNSMX-QLFBSQMISA-N 319.405 -0.162 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCN(C(=O)c2ncccc2O)C1 1207875580 SOKQRVQDSMZUOB-LLVKDONJSA-N 317.349 -0.379 30 20 DBED COCC#CCN[C@H]1CCCN(C(=O)c2cnc(O)n2C)C1 1208962646 ORFKFQLWWNQDBR-LBPRGKRZSA-N 306.366 -0.030 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)CC(=O)N(C)C)C1 1210029718 REFKZXRQYFPLCP-CHWSQXEVSA-N 324.425 -0.264 30 20 DBED COCC#CCN1C[C@@H](NC(=O)Cc2cc(C)on2)[C@H](OC)C1 1212037940 JKWLXILKOXFAKP-HUUCEWRRSA-N 321.377 -0.009 30 20 DBED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)c1ccsn1 1212446353 RNPUCWUNVUCWPV-GHMZBOCLSA-N 323.378 -0.788 30 20 DBED C=CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1C 1214338784 ZUPYQJZWSPOHNY-IJLUTSLNSA-N 321.381 -0.406 30 20 DBED C#CCOCCC(=O)N1C[C@@H](N[C@H]2CCCNC2=O)[C@H](C)C1 1214608974 SODUPBHYULEGDQ-HZSPNIEDSA-N 307.394 -0.259 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@H](COC)OC)C[C@H]1C 1215492941 FFRZJVIVWLJQNI-UPJWGTAASA-N 313.398 -0.614 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@]2(C)CCNC2=O)C[C@H]1C 1215527914 XWGHKDDUNQSCKG-XHBSWPGZSA-N 322.409 -0.749 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CN(C)C(=O)C1CC1 1218048122 CKQDRYKRZCSNMQ-UONOGXRCSA-N 305.378 -0.600 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)C(C)(F)F)C1 1219097499 UFGQVSIKPQSQLV-AEJSXWLSSA-N 305.325 -0.506 30 20 DBED C=CCCO[C@H](C)C(=O)N[C@@H]1CN(Cc2cnn(C)n2)C[C@@H]1O 1219324203 JFVRNARJCBMVHK-BNOWGMLFSA-N 323.397 -0.542 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)CCc2ccc(O)nc2)C1 1220218587 VTMCCUDMRWIEGQ-KGLIPLIRSA-N 303.362 -0.096 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)CNC(=O)C2CCC2)C1 1221066446 XIIWILUYECYBKL-NEPJUHHUSA-N 315.801 -0.184 30 20 DBED Cc1c[nH]nc1C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCC#N 1226096157 YUPFTOSIJDZOSE-VXGBXAGGSA-N 318.381 -0.012 30 20 DBED C#CCO[C@@H](C)C(=O)NC1CCN([C@H]2CCC(=O)NC2=O)CC1 1227341722 AODJEYMGJALTIF-AAEUAGOBSA-N 321.377 -0.590 30 20 DBED C#CCNC(=O)[C@H](C)N(C)CCCNC(=O)c1cc(C)[nH]n1 1234559601 DJJYHAQJCQKDHI-LBPRGKRZSA-N 305.382 -0.092 30 20 DBED C=CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC(=O)N1 1235633962 SMTUBGXLEGKREH-CHWSQXEVSA-N 322.409 -0.510 30 20 DBED C=CCN(C(=O)[C@H](C)S(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1251870973 YCTVINGEUKYDTJ-VHSXEESVSA-N 309.409 -0.379 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)NCCS(=O)(=O)CC1CC1 1261154065 CJOVYDYMYWJUOV-LLVKDONJSA-N 318.395 -0.755 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@@H](NC(=O)c2cc(C)no2)C1 1318312116 MVEZNCNYVSGKHY-VXGBXAGGSA-N 304.350 -0.075 30 20 DBED C=C[C@H](COC)NC(=O)CCc1nc2c(O)nc(=O)n(C)c2[nH]1 1320328428 XVZDGQQGZAJVHB-MRVPVSSYSA-N 321.337 -0.388 30 20 DBED COC(=O)C1(CNC(=O)C(=O)Nc2cnn(CC#N)c2)CC1 1320567194 UJPNIVQCDSABFI-UHFFFAOYSA-N 305.294 -0.585 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCO[C@H]([C@@H]2CCCO2)C1 1323698375 JOLOVBZKSAZJQZ-STQMWFEESA-N 310.350 -0.841 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N[C@@H]1CCOC[C@H]1OCC 1323723728 KKCVLKWDNVPNBA-IJLUTSLNSA-N 300.355 -0.386 30 20 DBED C=CC[C@H](NC(=O)Cn1nnc2ccccc2c1=O)C(=O)O 1325142527 FOXXOZOHSURHNF-NSHDSACASA-N 302.290 -0.063 30 20 DBED CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CC[C@](O)(CC#N)C1 1327038653 JEWQVAVMRQLGRS-SWLSCSKDSA-N 308.382 -0.584 30 20 DBED C[C@H]1CN(C)C(=O)CN1C(=O)C(=O)N1CCC(CC#N)CC1 1328458098 ZMIQEJSHRSQTTN-NSHDSACASA-N 306.366 -0.172 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CC[C@](O)(CC#N)C1)[C@@H]1CCCO1 1332244532 VFLHXASEHKQQSQ-SLEUVZQESA-N 305.334 -0.840 30 20 DBED COCC#CC(=O)N1CCN(CC(=O)Nc2cc(C)on2)CC1 1333783431 IGXVWSZSDUCFRI-UHFFFAOYSA-N 320.349 -0.284 30 20 DBED C=C[C@H](COC)NC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C 1338133354 KGVIXMHGQQFUOJ-SNVBAGLBSA-N 318.333 -0.437 30 20 DBED C#CCNCC(=O)N1CCN(C(=O)c2cccc(O)c2)CC1 1339901104 ZKMLXCNPRAGIIK-UHFFFAOYSA-N 301.346 -0.101 30 20 DBED C#CCNC(=O)C1CCN(C(=O)NCCC[S@@](C)=O)CC1 1340549795 SSPINOGPHAIIHZ-OAQYLSRUSA-N 313.423 -0.074 30 20 DBED C=CCn1c(CCO)nnc1N(C)CCS(=O)(=O)CC 1340732361 FMBNAILGPBJNBA-UHFFFAOYSA-N 302.400 -0.130 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1 1346543312 LUQKIFMBQYGUEG-CQSZACIVSA-N 307.394 -0.161 30 20 DBED C#CCOCCN(C)C(=O)CN(C)c1ncnc2[nH]cnc12 1349902434 WBOJYWVQKADHLG-UHFFFAOYSA-N 302.338 -0.103 30 20 DBED C=CCn1cc(Cn2nnnc2N(C)[C@H]2CCN(C)C2=O)nn1 1355961710 FJWALCZFXABDFW-NSHDSACASA-N 317.357 -0.834 30 20 DBED N#Cc1cn(CCC(=O)NCc2ccncn2)c(=O)nc1O 1362841893 KJDPUFDRWWTEMT-UHFFFAOYSA-N 300.278 -0.683 30 20 DBED C[C@H](C#N)C(=O)N(C)C1CCN(CC(=O)N2CCOCC2)CC1 1389335419 VOXSQCIKEBHXAH-CYBMUJFWSA-N 322.409 -0.072 30 20 DBED COCC(=O)N(C)CC(=O)NC1(CNC(=O)[C@H](C)C#N)CC1 1389963683 UEECVBMUOBURGM-SNVBAGLBSA-N 310.354 -0.984 30 20 DBED C[C@@H](C#N)C(=O)N1CC([C@H](C)NC(=O)Cn2ccccc2=O)C1 1395271226 AYISQIYQZDFOHN-RYUDHWBXSA-N 316.361 -0.029 30 20 DBED C[C@@H](CN1CCOCC1)C(=O)NCC1(NC(=O)[C@H](C)C#N)CC1 1400569918 IZQURONEZCBZGP-OLZOCXBDSA-N 322.409 -0.121 30 20 DBED C[C@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)[C@H]1CCC(=O)NC1 1408117170 YBGVNCCYRFHYGF-KOLCDFICSA-N 317.349 -0.353 30 20 DBED CNC(=O)NCC(=O)N1CCC(CN(C)C(=O)[C@@H](C)C#N)CC1 1409009457 RHASUAINQPIROO-NSHDSACASA-N 323.397 -0.228 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCNC(=O)[C@H](C)CN1CCOCC1 1429269499 OTXFUPQWZYPGFG-QWHCGFSZSA-N 310.398 -0.311 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N1CC[C@]2(CCOC2=O)C1 1434648142 BIZGMSRIRGQDOL-PWSUYJOCSA-N 301.368 -0.038 30 20 DBED C[C@@H](C(=O)NC(N)=O)N1CC2(CCN(C(=O)[C@H](C)C#N)CC2)C1 1438619809 QPBNPEHZTRGVCA-MNOVXSKESA-N 321.381 -0.346 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@@H](C)CNC(=O)Cn1ccccc1=O 1442733177 GFNIMZYQXVOBKL-RYUDHWBXSA-N 304.350 -0.029 30 20 DBED COc1cnc(C(=O)N2CC(CNC(=O)[C@@H](C)C#N)C2)nc1 1450689976 PVHSIMIXHLTGEV-VIFPVBQESA-N 303.322 -0.167 30 20 DBED COC(=O)C1(C#N)CCN(C(=O)[C@@H](C)NS(C)(=O)=O)CC1 1467991145 ISEWYNWZLBQPNR-SECBINFHSA-N 317.367 -0.771 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCNC(=O)COCc1ccnn1C 1496186733 JCFKSUSRTVOSPW-NSHDSACASA-N 307.354 -0.329 30 20 DBED C=C(Cl)CN(C)[C@@H](C)CNC(=O)CNC(=O)CNC(C)=O 1505947989 FQEPHHSROCMRCB-JTQLQIEISA-N 318.805 -0.572 30 20 DBED CC(=O)NCC(=O)NC[C@H]1CC[C@@H](NC(=O)C#CC2CC2)C1 1511426778 MOXHFJFPYDGBJT-UONOGXRCSA-N 305.378 -0.063 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)OC 1514799268 GUKBFLICTOBUKN-MXWKQRLJSA-N 317.363 -0.624 30 20 DBED C=C(Cl)C[C@@H](NC(=O)c1cnn(C[C@H](O)CO)c1)C(=O)O 1573307573 LGICXUCJUWJAJJ-VHSXEESVSA-N 317.729 -0.438 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N1C[C@H]2COC[C@@]2(C(=O)O)C1 1573576951 RTLAESUGQBGUJH-NHCYSSNCSA-N 317.367 -0.502 30 20 DBED C[C@@H](C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[nH]1)[C@H]1CCC(=O)N1 1573755494 QNEGPUAYMVOZMN-PHDIDXHHSA-N 315.297 -0.685 30 20 DBED COC1(OC)CCN(C(=O)[C@@](C)(C#N)CC(=O)O)C[C@H]1O 1574120533 PRRWVMWHHWWCFG-BXKDBHETSA-N 300.311 -0.427 30 20 DBED C[C@H]1[C@@H](C)N(c2cnc(C#N)c(-c3nn[nH]n3)n2)CC[S@@]1=O 1575871041 XYYDUAKKTDKFMD-BORLJHCYSA-N 318.366 -0.126 30 20 DBED N#Cc1ccc(N2CC[C@@H](N3C(=O)O[C@H]4CNC[C@H]43)C2)nn1 1580066958 AVVVPGUROGJFTH-UTUOFQBUSA-N 300.322 -0.280 30 20 DBED C#CCN1CCN(C(=O)CN2CCC[C@@H](C)[C@@H]2C(=O)O)CC1 1588429747 BVGOKXCUKRTWFT-UKRRQHHQSA-N 307.394 -0.051 30 20 DBED C#CCNC(=O)C1CCN(C(=O)c2cnc(C(=O)O)cn2)CC1 1588479664 YNEQGSWASLEKDP-UHFFFAOYSA-N 316.317 -0.224 30 20 DBED C#CCSCCNC(=O)NCCC(=O)NCCC(=O)O 1588505992 CVCOBDLAUMKYFD-UHFFFAOYSA-N 301.368 -0.367 30 20 DBED C[C@@](C#N)(CC(=O)O)C(=O)NCc1nc([C@H]2CCOC2)n[nH]1 1588542406 ZFWQWWKIGFHJMY-SDBXPKJASA-N 307.310 -0.071 30 20 DBED CN(C[C@H]1CCN1CC#N)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 1591063853 VXUGUABLORNSJA-SECBINFHSA-N 300.326 -0.135 30 20 DBED Cc1onc(CC(=O)N2CC(=O)N(C)C[C@H]2C(=O)O)c1C#N 1600862551 CAVATUFBBRXTMJ-JTQLQIEISA-N 306.278 -0.849 30 20 DBED N#CC1(C(=O)O)CCN(C(=O)C(=O)N2C[C@H]3C=C[C@H]2C3)CC1 1601048185 CWGYMEDHDZLGNX-QWRGUYRKSA-N 303.318 -0.010 30 20 DBED N#Cc1cccc(CNC(=O)CN2C[C@H](O)C[C@@H]2C(=O)O)c1 1601122152 FVWDEFCPWYARLE-CHWSQXEVSA-N 303.318 -0.306 30 20 DBED CN1C[C@@H](C(=O)O)N(CC(=O)Nc2cccc(C#N)c2)CC1=O 1606204495 UJGIOOSWNLFDQJ-LBPRGKRZSA-N 316.317 -0.276 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@H](C(=O)O)[C@H]2C)C1=O 1609373944 XANFSBGVAIWGMA-RKDXNWHRSA-N 323.305 -0.715 30 20 DBED CC(C)(O)CC(=O)N[C@H]1CCC[C@H](NCC(=O)NCC#N)C1 1752966297 ADXOTYJYROFSJH-RYUDHWBXSA-N 310.398 -0.196 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCCN(C(=O)c2cncnc2)C1 1752989389 CTYCUIUVLJXJQV-CQSZACIVSA-N 315.377 -0.238 30 20 DBED C#CCNC(=O)CN1CC[C@H](CNC(=O)CC[C@H](C)OC)C1 1753123090 RJMZBKAFWDMVES-UONOGXRCSA-N 309.410 -0.011 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@H]1CN(C(=O)CN1CCCC1)C2 1753310163 KBLXAXMUZRPLSN-GJZGRUSLSA-N 318.421 -0.493 30 20 DBED COc1nn(C)cc1C(=O)N(C)CCN1CCN(CC#N)CC1 1753342066 IYWUZOHIELRJIZ-UHFFFAOYSA-N 320.397 -0.358 30 20 DBED C#CCNC(=O)CNC[C@H](CC(C)C)NC(=O)c1cn(C)cn1 1753733577 RSEKLUFGJCHBBO-ZDUSSCGKSA-N 319.409 -0.096 30 20 DBED Cc1cc(C(=O)NC[C@@H](NCC(=O)NCC#N)C(C)C)cnn1 1753830169 VZMQUBXUDSKMRE-CYBMUJFWSA-N 318.381 -0.231 30 20 DBED C#CCN1CCC(C)(CNC(=O)Cn2ncn(C)c2=O)CC1 1754717961 KYZHJXUAJYMFIC-UHFFFAOYSA-N 305.382 -0.567 30 20 DBED COc1ccc2c(C(=O)N(CCO)CCNCC#N)cnn2c1 1754893712 FGCSMLPIWNNWPJ-UHFFFAOYSA-N 317.349 -0.109 30 20 DBED C=C(C)CNCCN(CCO)C(=O)c1nccnc1C(N)=O 1754897445 RUBAHFHAKJBMIX-UHFFFAOYSA-N 307.354 -0.824 30 20 DBED C#CCNC(=O)CN1CCOC[C@H]1CNC(=O)CC(F)(F)F 1754964990 DWOHYLTZXSYODU-SNVBAGLBSA-N 321.299 -0.495 30 20 DBED Cc1ocnc1C(=O)N1C[C@H](C)[C@@H](NCC(=O)NCC#N)C1 1755106206 YGVHWYTXANNOCV-ONGXEEELSA-N 305.338 -0.327 30 20 DBED C=CCC[C@H](C)N1CC(CCO)(NC(=O)c2nnn(C)n2)C1 1755334964 PXSBXVFDVDWMGH-NSHDSACASA-N 308.386 -0.269 30 20 DBED C#CCNC(=O)CN[C@@H](C)CN(C)C(=O)c1nn(C)cc1C 1755586118 HCPQJBSBFWOPNB-LBPRGKRZSA-N 305.382 -0.472 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@@H](C)N(C(=O)Cn2ccnc2C)C1 1755692441 LEPMWDDVNGXPMC-OCCSQVGLSA-N 317.393 -0.480 30 20 DBED CN(CCN1CCNC1=O)C[C@@H](O)CN(C)C(=O)C#CC1CC1 1755800668 LDCOTWKOWUYINC-CQSZACIVSA-N 322.409 -0.824 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)[C@@H](C)CNC(=O)Cn1cncn1 1756072534 UGEFMCAUKHYKET-RYUDHWBXSA-N 307.354 -0.721 30 20 DBED C=CCO[C@@H](C)C(=O)NC[C@H](O)CN(C)C(=O)c1cnn(C)c1 1756650523 SSNCBEJOLVCSJE-AAEUAGOBSA-N 324.381 -0.440 30 20 DBED CN(C[C@H](O)CNC(=O)[C@@H]1[C@H]2COC[C@H]21)C(=O)C#CC(C)(C)C 1756662228 DTHZCFVBZGPCEH-CXTNEJHOSA-N 322.405 -0.136 30 20 DBED CC(C)[C@@H](O)C(=O)N1C[C@@H](O)[C@H](NC(=O)C#CC(C)(C)C)C1 1756995711 IHSVLZBDGDQVRT-YRGRVCCFSA-N 310.394 -0.259 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@H](NC(=O)c2c(C)cnn2C)C1 1757201121 XHDFFRJIDPBXFZ-OLZOCXBDSA-N 318.377 -0.166 30 20 DBED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc(C)[nH]3)C[C@@H]21 1790789925 QWFZHNZEMRWNQG-OBJOEFQTSA-N 316.361 -0.055 30 20 DBED Cc1nc[nH]c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC#N 1795081178 STAQQTJFNLPVFD-GNXNZQSNSA-N 317.349 -0.165 30 20 DBED N#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncon1 1798351547 LRMPWGLSRVKFDA-PEGIJTEDSA-N 319.321 -0.423 30 20 DBED C=CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](N)CN)CC2 1826055282 CHGUJUZBVQUVQV-IUCAKERBSA-N 323.422 -0.083 30 20 DBED C#CCCCC(=O)N1CCOC[C@@]2(CN(C(=O)CN)CCO2)C1 1835555223 MHOKIBAHFJNJCC-INIZCTEOSA-N 323.393 -0.795 30 20 DBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C13CC(C1)C3)CCO2 1840600501 KAADLJPNWXHCIC-IMRCBTMISA-N 318.373 -0.124 30 20 DBED COC(=O)NCC(=O)N1CC2(CCCN2C(=O)C2(C#N)CC2)C1 1842809186 UMOVCIJCSDVOLE-UHFFFAOYSA-N 320.349 -0.150 30 20 DBED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)c1ccc[nH]1)C2 1846195937 SMIOKVBSALPYTF-UHFFFAOYSA-N 301.302 -0.080 30 20 DBED CN(CCC#N)S(=O)(=O)N1CCO[C@H](Cn2cccn2)C1 111359990 NICYVJSXQRTNCK-GFCCVEGCSA-N 313.383 -0.326 30 20 DBED Cc1c(C(=O)N[C@@H](C)C#N)cnc2c1c(=O)n(C)c(=O)n2C 163365767 YOLDQWWHMYEMQV-ZETCQYMHSA-N 301.306 -0.418 30 20 DBED N#Cc1c(F)cccc1S(=O)(=O)NCC[C@H](O)C(=O)O 230064472 KDOJDJNARVTBBY-VIFPVBQESA-N 302.283 -0.189 30 20 DBED N/C(=N/CCn1cncn1)N1CCN(c2ncccn2)CC1 261970761 DCDVQCFFOXCNOO-UHFFFAOYSA-N 301.358 -0.795 30 20 DBED Cc1cc(C(=O)N(C)CC#N)nc2c1c(=O)n(C)c(=O)n2C 265600563 CFMLVCTWVSWBRZ-UHFFFAOYSA-N 301.306 -0.464 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@@H](O)[C@@H](CC)C2)C1=O 270661267 RXGVVQMLXJQFJN-VHSXEESVSA-N 309.322 -0.808 30 20 DBED C=CCNC(=O)CN(CCC)[C@H](CC(=O)NCCC)C(N)=O 272753476 MRODUZJLWHIPCP-GFCCVEGCSA-N 312.414 -0.229 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@]3(CCNC3)C2)C1=O 274178416 OEQLMIFRHXKYCW-OAHLLOKOSA-N 320.349 -0.825 30 20 DBED N#Cc1cc(NC(=O)C(=O)N(CCO)CCO)ccc1Cl 275240379 WPGZXAKXSYCHPG-UHFFFAOYSA-N 311.725 -0.037 30 20 DBED CC1(C#N)CN(S(=O)(=O)c2cnc3nc(O)nc(O)c3c2)C1 281079836 VHCCRYWVRJQVAZ-UHFFFAOYSA-N 321.318 -0.030 30 20 DBED CS(=O)(=O)N1CCC[C@@H]1C/N=C(/O)N1CCO[C@H](CO)C1 328753163 SDOPMSVRVMITKX-MNOVXSKESA-N 321.399 -0.983 30 20 DBED CN1CCO[C@H](C/N=C(/O)NC[C@@H]2CCCCS2(=O)=O)C1 329642080 IMKUKOZKTJAVOB-NEPJUHHUSA-N 319.427 -0.212 30 20 DBED CCCN1CC[C@H](C/N=C(/O)N2CC[C@@H](S(N)(=O)=O)C2)C1 330240991 FMWYPFIHQPWUFQ-VXGBXAGGSA-N 318.443 -0.005 30 20 DBED C=CCN1CC[C@H](N(C)[C@H]2CCN(S(C)(=O)=O)C2)C1=O 330275290 LHAYVAOLIRRYEH-RYUDHWBXSA-N 301.412 -0.261 30 20 DBED C[C@@H](CN1CCN(C)CC1)NS(=O)(=O)N(C)[C@@H](C)CC#N 330409220 JYEQRRFZBSKSQT-STQMWFEESA-N 317.459 -0.309 30 20 DBED CN(CCO)C1CCN(/C(O)=N/CC(=O)N2CCCC2)CC1 331104544 FDRZRRIDBYYASV-UHFFFAOYSA-N 312.414 -0.089 30 20 DBED COC[C@@](C)(CC(=O)OC)NS(=O)(=O)N(C)C[C@H](C)C#N 336934808 DZMVLEFGXKFNRN-ZYHUDNBSSA-N 321.399 -0.120 30 20 DBED N#CCCCNC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 345143605 CZVPHRBLQUYWHD-ZDUSSCGKSA-N 308.382 -0.413 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCCOC(F)(F)F)C1=O 355897593 XQHLWPXLRANBCF-UHFFFAOYSA-N 323.227 -0.384 30 20 DBED CCNS(=O)(=O)[C@H]1CCN(S(=O)(=O)N(C)CCC#N)C1 356066033 CHVCIMICVXPAHV-JTQLQIEISA-N 324.428 -0.910 30 20 DBED C#CCNC(=O)C1CCN(C(=O)[C@H]2COCCN2CC)CC1 376831113 HIOKFVPDCYZAFJ-CQSZACIVSA-N 307.394 -0.305 30 20 DBED C=C[C@H](CO)NC(=O)NC[C@H](N1CCNCC1)C(F)(F)F 418618296 OHMKLNRCFGQAAN-ZJUUUORDSA-N 310.320 -0.331 30 20 DBED C=C(C)COCCNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C 419405276 SLBNVBJRQHRLLN-NEPJUHHUSA-N 313.398 -0.076 30 20 DBED CN1CC[C@@](O)(CNS(=O)(=O)c2ccc(C#N)s2)C1 435438481 ONELEAUDXCCYDZ-LLVKDONJSA-N 301.393 -0.035 30 20 DBED CCOC(=O)[C@](C)(O)CNC(=O)C(=O)Nc1cccc(C#N)c1 441348816 CYXGQCIVSHCRKJ-OAHLLOKOSA-N 319.317 -0.073 30 20 DBED C#CCNS(=O)(=O)CCCS(=O)(=O)N(C)[C@H](C)C#N 491451626 GWECMDDNECXMQU-SNVBAGLBSA-N 307.397 -0.897 30 20 DBED CNC(=O)CN1CCN(C(=O)Nc2cccc(C#N)n2)CC1 581942479 VWJCSDYCYOOCFJ-UHFFFAOYSA-N 302.338 -0.151 30 20 DBED C[C@@](CNC(=O)NCC(=O)NCC#N)(C(=O)O)c1ccccc1 593697883 HELQDNSTHIWHND-HNNXBMFYSA-N 318.333 -0.032 30 20 DBED C=CCOC[C@H](NC(=O)c1nc2ncc(C)cn2n1)C(=O)OC 597606725 LSURERYTNBNRFP-JTQLQIEISA-N 319.321 -0.093 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@H](O)CC(=O)OC 599463015 UQTCJIFCSHOZAU-VHSXEESVSA-N 307.372 -0.774 30 20 DBED COC(=O)c1cc(F)cc(S(=O)(=O)NCC#CCO)c1 601456776 XMTQEODNDWHUOD-UHFFFAOYSA-N 301.295 -0.114 30 20 DBED C[C@@H]1CC[C@@H](CNC(=O)C(=O)N2CCN(CCC#N)CC2)O1 602277920 HUXNMVFYYWXBSI-OLZOCXBDSA-N 308.382 -0.272 30 20 DBED N#Cc1ncn(CC(=O)N2CCCN(C[C@H]3CCCO3)CC2)n1 610882521 HNLFYFGCLOMDKT-CYBMUJFWSA-N 318.381 -0.137 30 20 DBED C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N1CC[C@](F)(C#N)C1 615646240 NLYODXXKNLXCBQ-MDZLAQPJSA-N 317.386 -0.042 30 20 DBED CC(C)NS(=O)(=O)NCCNC(=O)N1CC[C@@](F)(C#N)C1 617547252 TVNSICXLKPZMOE-LLVKDONJSA-N 321.378 -0.534 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N(C)C2CC2)C1=O 726036559 LAUXZZAJKXFKDC-UHFFFAOYSA-N 323.305 -0.873 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)OCc2nnc(CC)o2)C1=O 726042636 KRBQBJYRKPUOCC-UHFFFAOYSA-N 322.277 -0.348 30 20 DBED C[C@H](OC(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)N(C)CCC#N 735151916 SUWICMJQFRSUPJ-VIFPVBQESA-N 322.321 -0.999 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)C(=O)c1cnn(C)c1 748428638 FTCCZMQSBRHMLY-MRVPVSSYSA-N 308.294 -0.454 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)OCC[C@@H]2CCOC2=O)C1=O 754096790 SQVOWBVPYISTDB-SECBINFHSA-N 324.289 -0.540 30 20 DBED CCOC(=O)CON=C(C(=O)N[C@H]1CCOC1)c1cc[nH]n1 772430531 HDNSYVFMYJODTC-VIFPVBQESA-N 310.310 -0.401 30 20 DBED C=CCN(CC(=O)OCC)C(=O)CCS(=O)(=O)N(C)C 781348143 CNZUZWDSKIXYIF-UHFFFAOYSA-N 306.384 -0.154 30 20 DBED C=CCS(=O)(=O)CCNC(=O)c1c(C)c(C)nn(C)c1=O 783546822 CSEQMHRFFKGNEP-UHFFFAOYSA-N 313.379 -0.272 30 20 DBED C=CCN1CC[C@@H](OC(=O)CS(=O)(=O)CCOC)C1=O 798596473 INTWOMLOYQVTND-SNVBAGLBSA-N 305.352 -0.622 30 20 DBED C#CCNS(=O)(=O)N1CCN(CCO[C@H](C)C#N)CC1 801935467 FPNHWYPPAOYJJR-GFCCVEGCSA-N 300.384 -1.000 30 20 DBED CCc1nn(C)c(OC)c1C=NNC(=S)NCC(=O)NC 814844115 BPCOKZANCYDILR-UHFFFAOYSA-N 312.399 -0.465 30 20 DBED O=C(Cn1nnc(-c2ccccc2)n1)N[C@H]1CCCN(O)C1=O 820476267 JWVPBOJTVOUEQT-NSHDSACASA-N 316.321 -0.164 30 20 DBED Cc1cccc2c(=O)n(CC(=O)N[C@@H]3CNC[C@H]3C#N)cnc12 834512058 RJDNTCMNMQWQKE-DGCLKSJQSA-N 311.345 -0.067 30 20 DBED CS(C)(=O)=NS(=O)(=O)N1CCN(CCCC#N)CC1 846964444 LNAPTDGJUOJCDZ-UHFFFAOYSA-N 308.429 -0.120 30 20 DBED C=CCC[C@H](CO)NS(=O)(=O)N1CCC2(CC1)OCCO2 849397510 SQYPVJUKFNMVBA-GFCCVEGCSA-N 320.411 -0.013 30 20 DBED N#Cc1ccc(OC[C@@H](O)CNCCN2CCNC2=O)cc1 905481992 PFSWETJUMPLPMR-ZDUSSCGKSA-N 304.350 -0.087 30 20 DBED C#CC1(O)CN(S(=O)(=O)C2CCN(C(=O)OCC)CC2)C1 908232764 VQQYDCIWILZMAW-UHFFFAOYSA-N 316.379 -0.383 30 20 DBED N#CCCN1CCN(C(=O)C(=O)N2C[C@@H]3CCNC[C@@H]3C2)CC1 926397021 OGCVUUKQJLWOSC-UONOGXRCSA-N 319.409 -0.888 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](NC(=O)c2ccc(C(N)=O)cn2)C1 938191641 VIKFBWCIRODZMZ-KOLCDFICSA-N 315.333 -0.329 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H]1CNC(=O)c1ccc(=O)n(C)n1 944251645 WNMHKBNRWWOIEQ-GHMZBOCLSA-N 317.349 -0.339 30 20 DBED C=CCCn1cc(C(=O)N2CCO[C@@H](CNC(C)=O)C2)nn1 944432445 STYIUUMPMRAAIZ-LBPRGKRZSA-N 307.354 -0.169 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@H](CNC(=O)c2cnn(C)c2N)C1 944556736 MIZYPSKPJVIBKV-NXEZZACHSA-N 320.353 -0.881 30 20 DBED C[C@H]1C[C@H](NC(=O)CN2CCN(C)C(=O)C2)CCN1CC#N 947463996 PILDMTARYLZQPM-QWHCGFSZSA-N 307.398 -0.747 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CN2CCNC(=O)C2)C[C@H]1C 947621908 XUEHIXPVFLJCSZ-ZIAGYGMSSA-N 306.410 -0.589 30 20 DBED O=C(Cn1ncnn1)N[C@H]1CCCN(C(=O)C#CC2CC2)C1 950760950 CBDZIEMXKRAHCO-LBPRGKRZSA-N 302.338 -0.806 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H]2CNC(=O)c2cnn[nH]2)nn1 951001180 SUIILNUSQBQWPH-VIFPVBQESA-N 316.325 -0.773 30 20 DBED C=CCCN1C[C@@H](O)[C@H](CNC(=O)C2CS(=O)(=O)C2)C1 958096967 SONKCMWLNBYZMI-ZYHUDNBSSA-N 302.396 -0.984 30 20 DBED CC#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cnn3ccncc23)C1 958145592 NRAABDQPQRTSRL-SWLSCSKDSA-N 313.361 -0.225 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2cnn3cc(C)cnc23)C1 958445823 ZHQOGCKQDMSLMC-OCCSQVGLSA-N 313.361 -0.307 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2CN(CCCF)C[C@@H]2O)nn1 958470992 CLFLFVNXUJNFHX-AAEUAGOBSA-N 311.361 -0.154 30 20 DBED CS(=O)(=O)CCN1C[C@@H]2C(NC(=O)c3c[nH]c(C#N)c3)[C@H]2C1 958617284 DXYMAUVOKVSGAO-RYUDHWBXSA-N 322.390 -0.409 30 20 DBED C#CCCN1C[C@@H]2C(NC(=O)c3ccoc3CC(N)=O)[C@H]2C1 961597222 GIFKDVJVZWAKGJ-RYUDHWBXSA-N 301.346 -0.009 30 20 DBED CC#CCN1C[C@@H]2C(NC(=O)Cc3nc4ncccn4n3)[C@H]2C1 962558204 VCRUJISEWDBQHL-RYUDHWBXSA-N 310.361 -0.264 30 20 DBED C#CCN1CCC(C(=O)N2CCOC[C@H]2CNC(C)=O)CC1 964042050 XMBODSYYRPADOV-OAHLLOKOSA-N 307.394 -0.305 30 20 DBED Cn1nnc(C(=O)NC[C@H]2CCCCN2C(=O)C#CC2CC2)n1 964496616 PQXGBZXDUMZSLW-GFCCVEGCSA-N 316.365 -0.266 30 20 DBED C[C@H](C#N)C(=O)N1CCOC2(CN(C(=O)c3cn[nH]c3)C2)C1 965470546 HVFWNZZUUJGPMN-SNVBAGLBSA-N 303.322 -0.377 30 20 DBED O=C(N[C@@H]1COC2(C1)CN(C(=O)C#CC1CC1)C2)c1cnon1 965793289 WFXUPRJJORPNNS-NSHDSACASA-N 316.317 -0.417 30 20 DBED CC1(C)CN(C(=O)C(N)=O)CC[C@@H]1NC(=O)c1cc(C#N)c[nH]1 966994691 BYISJBYTPOKXBU-NSHDSACASA-N 317.349 -0.271 30 20 DBED Cc1ccc(=O)n(CC(=O)N[C@@H]2CN(CC#N)CC[C@@H]2C)n1 968565403 FYYYHTJNXCABGV-WCQYABFASA-N 303.366 -0.098 30 20 DBED C#CCN1CC([C@H](C)NC(=O)[C@@H]2CN3CC4CC3(CO2)C4)C1 970189376 DQYAHLNDIOOWLS-XOSUWLCWSA-N 303.406 -0.081 30 20 DBED C=CCN1C[C@H]2CC[C@H]1CN2C(=O)Cn1ccc(O)nc1=O 971573678 ZGEZDGCUJCFRNF-NWDGAFQWSA-N 304.350 -0.190 30 20 DBED CC#CCN1CCO[C@]2(CCN(C(=O)C3CN(C(C)=O)C3)C2)C1 972361437 GQMQQHDBXYAMLU-QGZVFWFLSA-N 319.405 -0.209 30 20 DBED C=CCN1CCO[C@@]2(CCN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)C1 972416931 MYUHBTBMHAMTKH-NHYWBVRUSA-N 322.365 -0.926 30 20 DBED C#CCCN1C[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C(C)(C)C1 974600303 PHNGHTHKLFWZOH-LLVKDONJSA-N 318.381 -0.773 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)[C@]3(C)CCC(=O)NC3)[C@H]2C1 977018482 VBPMTAMEUFJVAY-WHRSBTLBSA-N 318.377 -0.365 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]1CN(C)C(=O)c1nccnc1N 977485583 ISHOUZHRUXRVKS-ZJUUUORDSA-N 302.338 -0.109 30 20 DBED N#CCN1C[C@H]2C[C@H](NC(=O)Cn3cnnc3O)CC[C@H]2C1 979614948 IZTIMOSLTQBITJ-QJPTWQEYSA-N 304.354 -0.276 30 20 DBED C#CCN[C@H]1CCC[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)C1 981506612 PSOLALQCAGACNG-NWDGAFQWSA-N 306.366 -0.469 30 20 DBED C=CCN1CCCN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)CC1 982251883 ZGDKVOFPNGHOEY-UHFFFAOYSA-N 316.365 -0.209 30 20 DBED C#CCN[C@@H]1CCN(C(=O)c2ccc(=O)n(CCOC)n2)[C@H]1C 986519158 XOOTVGPIEUIRIR-QWHCGFSZSA-N 318.377 -0.285 30 20 DBED C=CCN[C@H]1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)[C@@H]1C 987103198 FFNRWACPPCTEBP-PWSUYJOCSA-N 306.366 -0.537 30 20 DBED N#Cc1cc(C(=O)NC2CN(C(=O)c3c[nH]c(=O)cn3)C2)c[nH]1 990934817 GVXSSMDTAVSUMP-UHFFFAOYSA-N 312.289 -0.776 30 20 DBED C=CCn1cc(C(=O)NC2CN(C(=O)[C@H](OC)C3CC3)C2)nn1 991674456 YEDKNPYRSINESN-CYBMUJFWSA-N 319.365 -0.170 30 20 DBED C[C@H](C#N)C(=O)N1CC(NC(=O)c2cnc(N(C)C)cn2)C1 991843642 BPXKSUFIHLRQCL-SECBINFHSA-N 302.338 -0.357 30 20 DBED COCc1nn(C)cc1C(=O)NC1CN(C(=O)C#CC2CC2)C1 994595758 YGXPJAGPYDHYSE-UHFFFAOYSA-N 316.361 -0.080 30 20 DBED C=CCNC1CC(N(C)C(=O)C2(n3cnnn3)CCOCC2)C1 999538196 OGYUKAVBXZJHPI-UHFFFAOYSA-N 320.397 -0.056 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H]2C[C@H]3CN(C(=O)C(N)=O)C[C@@]3(C1)O2 1001668047 CSHZRBCQZJTDLP-USBNGQNGSA-N 321.377 -0.488 30 20 DBED C[C@@H](C#N)C(=O)N1CC(CNC(=O)[C@@H]2CCCN2C(N)=O)C1 1002942548 RYAJRNRMCOZAML-ONGXEEELSA-N 307.354 -0.736 30 20 DBED Cc1c(C(=O)N[C@@H](C)C2CN(C(=O)[C@@H](C)C#N)C2)nnn1C 1005840185 DIGLVSNCSNQDQP-IUCAKERBSA-N 304.354 -0.140 30 20 DBED Cc1nccn1CC(=O)NC1[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]12 1013131516 WLFDBJBLTPDCHQ-MVWJERBFSA-N 301.350 -0.076 30 20 DBED C=CCn1cccc1C(=O)NC1[C@@H]2CN(C(=O)C(N)=O)C[C@@H]12 1013281925 ZTZRJQKTCCEKCY-NXEZZACHSA-N 302.334 -0.654 30 20 DBED C#CCN1CCC2(CC1)C[C@H]2NC(=O)c1nccnc1C(N)=O 1016965305 OYKRTKOHUYCGBR-LLVKDONJSA-N 313.361 -0.207 30 20 DBED N#CCN1CCC2(CC1)C[C@@H]2NC(=O)C[C@H]1CC(=O)NC1=O 1017003477 LTPQCZHIXHSCJH-QWRGUYRKSA-N 304.350 -0.467 30 20 DBED C#CCN[C@H]1CCN(C(=O)CCc2c(C)nc(O)nc2O)C1 1019208258 FPINEIFYTUVNSH-NSHDSACASA-N 304.350 -0.047 30 20 DBED C=CCN1CC[C@H](N[C@H]2C[C@@H](NC(=O)c3cnn(C)n3)C2)C1=O 1022850824 VDFLGLUEKSLWMB-TUAOUCFPSA-N 318.381 -0.548 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCNC2=O)C1 1024170410 YYOBHZPCNVVGMQ-IJLUTSLNSA-N 323.393 -0.587 30 20 DBED C=CCCN1CC(NC(=O)C2(n3cnnn3)CCOCC2)C1 1031083701 QADSQUOFCCOPEV-UHFFFAOYSA-N 306.370 -0.445 30 20 DBED N#CCN1CCO[C@H](CNC(=O)c2ccc3nc[nH]c3n2)C1 1035411529 KEZBYMPXNFSNML-SNVBAGLBSA-N 300.322 -0.088 30 20 DBED C=C(C)CN1C[C@H]2C[C@H]1[C@@H]2NC(=O)CN1CCCS1(=O)=O 1037425364 KPNAJBNMQMWVQM-MBNYWOFBSA-N 313.423 -0.213 30 20 DBED N#CCNC1C[C@@H]2CCC[C@H](C1)N2C(=O)CN1CC(=O)NC1=O 1039302659 HZMAPXSPFYXQAY-YOGCLGLASA-N 319.365 -0.437 30 20 DBED C#CCCCC(=O)N1CC[C@](O)(CNC(=O)c2ncc[nH]2)C1 1039660629 ZYCUGFBBDFVNBI-HNNXBMFYSA-N 304.350 -0.094 30 20 DBED C=CCn1cc(C(=O)NC[C@@]2(O)CCN(C(=O)C(C)C)C2)nn1 1039754864 IJPJIXZABHVMQV-HNNXBMFYSA-N 321.381 -0.187 30 20 DBED N#Cc1ccc(N2CCO[C@H]3CCN(C(=O)C(N)=O)C[C@H]32)cn1 1040001552 SVUHEBYXDZLEKS-OLZOCXBDSA-N 315.333 -0.755 30 20 DBED Cc1conc1C(=O)N1CC[C@](O)(CNC(=O)[C@@H](C)C#N)C1 1040759120 DXGNTVMZUPLEAN-XPTSAGLGSA-N 306.322 -0.164 30 20 DBED C#CCOCCC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2CCOC2)C1 1040795164 ZTNCNFVCHBPIHP-CZUORRHYSA-N 324.377 -0.858 30 20 DBED Cc1ncc(C(=O)N[C@@H]2CN(c3cnc(C#N)cn3)C[C@H]2O)[nH]1 1040952028 MRMFMNIOVHQSKF-VXGBXAGGSA-N 313.321 -0.641 30 20 DBED C=C(C)C[C@@H](C)C(=O)N1CC(O)(CNC(=O)CNC(C)=O)C1 1041216088 RIFPGWIYQJCBBG-LLVKDONJSA-N 311.382 -0.586 30 20 DBED C#CCCN1CC[C@]2(CCN(C(=O)Cn3ncn(C)c3=O)C2)C1 1041423598 UQWWCMZARMUMPU-INIZCTEOSA-N 317.393 -0.471 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)Cn2ccc(C)n2)C1 1042052943 XEDLCCCYKPBXQJ-UHFFFAOYSA-N 322.365 -0.916 30 20 DBED C#CCCN1CC[C@H]2CCN(C(=O)c3nnc(O)nc3O)C[C@@H]21 1042135466 WAMQQSBWCNYWEV-QWRGUYRKSA-N 317.349 -0.158 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)c2cnnc(C)c2)C1 1042779264 UTVITUOULVMJGL-UHFFFAOYSA-N 316.361 -0.108 30 20 DBED C=CCCOCC(=O)N1CC(O)(CNC(=O)c2n[nH]cc2C)C1 1042957333 FNNJJCYUFSNKJI-UHFFFAOYSA-N 322.365 -0.386 30 20 DBED C#CCCN1CC(N(C)C(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 1043436519 XEGZSGWNLQYTOI-ZDUSSCGKSA-N 301.350 -0.469 30 20 DBED C=C1CC(C)(C(=O)N2CC(O)(CNC(=O)c3cnn[nH]3)C2)C1 1043814565 ZDYVIJJALMKCSJ-UHFFFAOYSA-N 305.338 -0.536 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)C(C)(C)COC)C1 1043868286 FRALGRSZZIZXKS-UHFFFAOYSA-N 314.382 -0.449 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)[C@@H]2CCC(=O)N2C)C1 1044931212 ZUACXWFHUWYNSS-NSHDSACASA-N 323.393 -0.491 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)[C@H]2CCCOCC2)C1 1045541133 RGDUDLDFLMYZCB-NEPJUHHUSA-N 309.366 -0.348 30 20 DBED CC#CCN1CC[C@@](C)(NC(=O)[C@@H]2CCN(C)S2(=O)=O)C1 1046691314 VRCCCDMZMVZSNJ-GXTWGEPZSA-N 313.423 -0.376 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 1047041292 SNLTWBJJHWCYDS-MCIONIFRSA-N 320.389 -0.097 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCN(C(C)=O)C2)C1 1047449783 KYMMXFWRJIBIKG-JYJNAYRXSA-N 321.421 -0.228 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)CC2=CCOCC2)C[C@@H]1O 1049394656 MLZDXCDVMWTEIK-UBHSHLNASA-N 321.377 -0.087 30 20 DBED C[C@H](NC(=O)C#CC1CC1)[C@H]1CCN(C(=O)Cn2ncnn2)C1 1050810010 WXDVBTPWFAOSLY-AAEUAGOBSA-N 316.365 -0.560 30 20 DBED C[C@@H]1[C@@H](NC(=O)[C@H]2CNC(=O)N2)CCN1c1ccncc1C#N 1050951643 DRVYTYXOVUGNPG-ADEWGFFLSA-N 314.349 -0.282 30 20 DBED C#CCCN1CCOC[C@@H]1CNC(=O)c1cnc2n1CCOC2 1050963771 JWJBDMAFDGSXDP-ZDUSSCGKSA-N 318.377 -0.133 30 20 DBED CC#CCN1CCOC[C@@H]1CNC(=O)c1ccnc(OC)n1 1051020575 ZVNXBXJJNDFTIV-LBPRGKRZSA-N 304.350 -0.061 30 20 DBED C#CCCN1CCOC[C@@H]1CNC(=O)c1ccc(N(C)C)nn1 1051206988 CYYALDGCMMGNHB-ZDUSSCGKSA-N 317.393 -0.004 30 20 DBED CC(C)C(=O)N1CCC[C@H]1C(=O)NC[C@@H]1COCCN1CC#N 1051248072 VXHBYUQAHZTGQL-KGLIPLIRSA-N 322.409 -0.026 30 20 DBED N#Cc1c[nH]ccc1=NC1CC(CNC(=O)[C@@H]2CCNC2=O)C1 1052047141 RQYDPTXRIORTMV-KGPNIALWSA-N 313.361 -0.182 30 20 DBED C#Cc1cncc(C(=O)N2C[C@H](CNC(=O)C(N)=O)[C@@H](C)C2)c1 1053393577 CSCPZCIESHQDJA-GWCFXTLKSA-N 314.345 -0.628 30 20 DBED CC#CCN1CC2(CC[C@H](CNC(=O)[C@H]3CCC(=O)NC3)O2)C1 1053621015 ZAQIZGFRQNXTMW-UONOGXRCSA-N 319.405 -0.115 30 20 DBED C#CCN1CC2(CC[C@H](CNC(=O)c3cccc(=O)n3C)O2)C1 1053658775 FWVNYRMTSASODU-CYBMUJFWSA-N 315.373 -0.018 30 20 DBED C=CCN1CC2(C[C@H](NC(=O)c3cc(=O)n(C)cn3)CO2)C1 1053836562 MGUZJDFDAWRQMO-NSHDSACASA-N 304.350 -0.461 30 20 DBED CC#CCN1CC2(C[C@@H](NC(=O)c3cccc(=O)n3C)CO2)C1 1053921441 GYCFUDQZZDBWQU-CYBMUJFWSA-N 315.373 -0.018 30 20 DBED C=CCOCC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3COC(=O)N3)C[C@@H]2C1 1055248468 NOJFWYYINDHQNS-TUAOUCFPSA-N 323.349 -0.786 30 20 DBED N#Cc1cnc(N2CCN(C(=O)[C@H]3CCC(=O)N3)CC2)cn1 1055745847 FPVDJJVMWMAVTD-LLVKDONJSA-N 300.322 -0.725 30 20 DBED N#Cc1cnccc1N1CCN(C(=O)[C@@H]2COC(=O)N2)CC1 1055785464 INVMCUNCZJBYRL-NSHDSACASA-N 301.306 -0.290 30 20 DBED CCn1cc(C(=O)N2CCN(c3nccnc3C#N)CC2)nn1 1055885080 BUTKKWVPWPINEN-UHFFFAOYSA-N 312.337 -0.078 30 20 DBED Cc1ccc(C#N)c(N2CCN(C(=O)[C@H]3CNC(=O)N3)CC2)n1 1055998981 RXOAPOLBEGSMAD-GFCCVEGCSA-N 314.349 -0.408 30 20 DBED CC(C)C#CC(=O)N1CCC[C@](CO)(NC(=O)c2cnn[nH]2)C1 1056005870 UGTDXCWMESJQOR-HNNXBMFYSA-N 319.365 -0.453 30 20 DBED C=CCCC(=O)N1CCC[C@](CO)(NC(=O)c2cnn(C)n2)C1 1056010648 BUOKOFAKPJQVSV-HNNXBMFYSA-N 321.381 -0.135 30 20 DBED COC(=O)NCC(=O)N1CCC[C@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]21 1056612998 IUHMPWMDEYGTMR-SDDRHHMPSA-N 322.365 -0.049 30 20 DBED CN(c1cnc(C#N)cn1)[C@@H]1CCN(C(=O)c2nnn(C)n2)C1 1057001788 FFKVTYGLOLNMIG-SNVBAGLBSA-N 313.325 -0.777 30 20 DBED C=CCOCCCC(=O)N(CCO)CCNC(=O)c1cn[nH]c1 1057267050 PRNKDDDUYVLVEJ-UHFFFAOYSA-N 324.381 -0.057 30 20 DBED C=C[C@](C)(O)CC(=O)N(CCO)CCNC(=O)c1[nH]cnc1C 1057451069 DQBBFVWCHPUWPG-HNNXBMFYSA-N 324.381 -0.404 30 20 DBED C=CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)CCCOC 1057922207 ZHPDFDOLHFRSMT-ZDUSSCGKSA-N 316.398 -0.059 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)[C@@H]1CO[C@H](C)C1 1057948490 HUMBGZBCNSFKGP-OLZOCXBDSA-N 314.382 -0.449 30 20 DBED Cc1cc(C#N)nc(N2CC[C@H](NC(=O)c3cnn(C)n3)C2)n1 1058399947 LVUFJCKJDRINLY-JTQLQIEISA-N 312.337 -0.206 30 20 DBED CN1C(=O)CC[C@@H]1C(=O)N[C@H]1CCN(c2cnc(C#N)cn2)C1 1058523322 LRJWAOQHUWQWTP-CMPLNLGQSA-N 314.349 -0.336 30 20 DBED COc1cccnc1C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N 1058655028 OCJLGTICEDHFKI-NSHDSACASA-N 320.349 -0.199 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1C[C@H](NC(=O)[C@@H]2CCNC(=O)C2)C1 1059184858 SUJZUJNQTQPJPH-RAIGVLPGSA-N 313.361 -0.040 30 20 DBED CN1CCOC[C@H]1C(=O)N[C@H]1C[C@@H](N=c2cc[nH]c(C#N)n2)C1 1059597759 BWLLRJJGKAUVBP-TUAOUCFPSA-N 316.365 -0.840 30 20 DBED CN1C(=O)CC[C@@H]1C(=O)N[C@H]1C[C@@H](N=c2cc[nH]c(C#N)n2)C1 1059793195 IJKNNTAFFXVPOL-OUAUKWLOSA-N 314.349 -0.550 30 20 DBED C[C@]1(C(=O)N[C@H]2C[C@@H](N=c3cc[nH]cc3C#N)C2)CCNC1=O 1059823681 VMRONYCJZLBRPH-OZVIIMIRSA-N 313.361 -0.040 30 20 DBED C=CCOCC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H](C)OCC 1061334134 HONMUXLQOMZCJK-OLZOCXBDSA-N 314.382 -0.042 30 20 DBED C=CCOCC(=O)NC[C@H]1COCCN1C(=O)COC(C)C 1061421206 KQZOQCJFWKXXNW-ZDUSSCGKSA-N 314.382 -0.042 30 20 DBED C#CCCCC(=O)NC[C@H]1COCCN1C(=O)[C@H](C)NC(N)=O 1061540679 PSQKCLFFBITZMK-RYUDHWBXSA-N 324.381 -0.810 30 20 DBED Cn1cnc(C(=O)NC[C@H]2CCN(c3cncc(C#N)n3)C2)n1 1061583071 OMZCTUDKPDZRLS-SNVBAGLBSA-N 312.337 -0.267 30 20 DBED C=CCCC(=O)N1CCOC[C@H]1CNC(=O)CCCC(N)=O 1061684619 RKENDCOSUFDKCB-GFCCVEGCSA-N 311.382 -0.048 30 20 DBED C=C(C)CCC(=O)N1CCOC[C@@H]1CNC(=O)[C@H]1CNC(=O)N1 1061828621 YRKQZTNVQACXMU-NWDGAFQWSA-N 324.381 -0.632 30 20 DBED CCc1nc(C#N)cc(N(C)C[C@H]2CCN(C(=O)C(N)=O)C2)n1 1062164856 BUDPPASLNQVPDM-SNVBAGLBSA-N 316.365 -0.319 30 20 DBED CN(C(=O)c1cnnn1C)[C@H]1CCN(c2ccnc(C#N)n2)C1 1062929064 XMIYIBHBPAUQAZ-JTQLQIEISA-N 312.337 -0.172 30 20 DBED Cn1cnc(C(=O)N[C@@H]2[C@H]3C[C@H]2N(c2nccnc2C#N)C3)n1 1064242882 VBETVGAERQMPIN-JMJZKYOTSA-N 310.321 -0.516 30 20 DBED Cc1nn[nH]c1C(=O)N[C@H]1[C@H]2C[C@H]1N(c1cncc(C#N)n1)C2 1064324340 ILRKCRGSTPYLSI-PLMOITTCSA-N 310.321 -0.218 30 20 DBED Cn1ncc(C(=O)N[C@]2(C)CCN(c3cnc(C#N)cn3)C2)n1 1065263516 JQECYJLETPSALU-CQSZACIVSA-N 312.337 -0.124 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)[C@@H]2CCC(=O)NC2)CCO1 1065323074 CETKNMHOHSRAQP-OLZOCXBDSA-N 323.393 -0.178 30 20 DBED C=CCOCC(=O)N(C)CCCN(C)C(=O)C1(C(N)=O)CC1 1067001031 JXNQCXZMLNJQKZ-UHFFFAOYSA-N 311.382 -0.239 30 20 DBED Cn1cc(C(=O)N2C[C@H]3CC[C@H]2CN3c2ccc(C#N)nn2)nn1 1068042010 NOHBIQCSFJBJRH-NEPJUHHUSA-N 324.348 -0.030 30 20 DBED C=CCCC(=O)N1CC2(CN(C(=O)CC(=O)N(C)C)CCO2)C1 1068398991 MLWTVXBMOWDYGW-UHFFFAOYSA-N 323.393 -0.129 30 20 DBED COCC(=O)N[C@@H]1COC2(C1)CN(C(=O)c1cc(C#N)c[nH]1)C2 1068651828 HIWOHASGMBWUSX-NSHDSACASA-N 318.333 -0.368 30 20 DBED C#CCOCCC(=O)N1CC2(C[C@H](NC(=O)[C@H](C)OC)CO2)C1 1068733846 YYJHHGYRSUGZQV-STQMWFEESA-N 324.377 -0.453 30 20 DBED CN1CCC[C@@H]1C(=O)NCc1cnn2c1CN(CC#N)CC2 1069854854 BALBBOFIESQECM-CYBMUJFWSA-N 302.382 -0.067 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)Cc2ccnn2C)C1 1069917600 ZRPVLTSYCFJESL-KGLIPLIRSA-N 313.365 -0.771 30 20 DBED C#CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@]2(F)CCOC2)C1 1070006971 RPCMSRTWAKVLOC-IPYPFGDCSA-N 321.356 -0.229 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)[C@@H]2CCCCN2C)CC1 1070973719 TXJBRQXSGWTQFY-HNNXBMFYSA-N 320.437 -0.246 30 20 DBED C[C@H]1CN(C(=O)c2cnnn2C)C[C@H]1NC(=O)C#CC1CC1 1072006055 HRALOSSBMGGPLP-CMPLNLGQSA-N 301.350 -0.195 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](C)[C@@H](NC(=O)Cn2cnnc2O)C1 1072035527 MQHVZVACVGVNRZ-NEPJUHHUSA-N 319.365 -0.394 30 20 DBED C=CCCOCC(=O)N1C[C@H](C)[C@H](NC(=O)CNC(C)=O)C1 1072329335 JLDBBGGCVWYMIX-WCQYABFASA-N 311.382 -0.322 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC[C@@H]2CN(C(=O)C(N)=O)C[C@@H]2CC1 1074342089 FQUFDJNAQLVNSZ-RWMBFGLXSA-N 323.393 -0.240 30 20 DBED C[C@@H]1C[C@@H](NC(=O)C#CC2CC2)CCN1C(=O)Cn1ncnn1 1074982701 WIADWHKFDNDLLX-YPMHNXCESA-N 316.365 -0.418 30 20 DBED C[C@@H](CCNC(=O)C#CC1CC1)NC(=O)[C@H]1CCCNC1=O 1076430267 YRGKHUMEYMQHHK-AAEUAGOBSA-N 305.378 -0.063 30 20 DBED C#CCOCCC(=O)NCC[C@H](C)NC(=O)CNC(=O)C1CC1 1076503989 GRLSXJWJEZQVTD-LBPRGKRZSA-N 323.393 -0.437 30 20 DBED C#CCO[C@@H](C)C(=O)NCC[C@H](C)NC(=O)[C@]1(C)CCC(=O)N1 1076508625 BLGFGAHTRWUNMT-MKBNYLNASA-N 323.393 -0.296 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)c2ccc(CNC(N)=O)cc2)C1 1078157533 ZOBHXJHRQGOCSO-ZIAGYGMSSA-N 318.377 -0.184 30 20 DBED C[C@@H](CCNC(=O)CN1C(=O)CN(C)C1=O)NC(=O)[C@H](C)C#N 1078582385 DCMPWBQFLFOKGA-ZJUUUORDSA-N 323.353 -0.949 30 20 DBED C#CCN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)c1nnc(O)nc1O)C2 1078988509 FOQQOUKZXCNBSC-OPRDCNLKSA-N 303.322 -0.501 30 20 DBED Cn1cc(C(=O)N2C[C@H]3CC[C@H]2[C@H](NCC#N)C3)n(C)c1=O 1079113739 LMFKUGUBMGQEEV-TUAOUCFPSA-N 303.366 -0.170 30 20 DBED C[C@H](C#N)C(=O)N1CCc2ccccc2[C@@H]1CNC(=O)C(N)=O 1079126619 JADMMJIWEIUEJQ-MFKMUULPSA-N 314.345 -0.126 30 20 DBED C#CCNC(=O)CC(=O)N(CC)C1CN(C(=O)c2ccon2)C1 1079644932 YKNZNBWELSVAEK-UHFFFAOYSA-N 318.333 -0.513 30 20 DBED CCN(C(=O)C#CC1CC1)C1CN(C(=O)C2(NC(N)=O)CC2)C1 1079737090 WBBKBXQHXBDABK-UHFFFAOYSA-N 318.377 -0.340 30 20 DBED C#Cc1cncc(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)COC)C2)c1 1081185705 FJXMGQHVBHTBAG-UONOGXRCSA-N 317.345 -0.742 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)c2cnn[nH]2)C[C@@H]1O 1081466928 ZFOKTYSPLFEKLZ-JQWIXIFHSA-N 305.338 -0.987 30 20 DBED C#CCCCC(=O)N1C[C@H](CNC(=O)c2ccn(C)n2)[C@@H](O)C1 1081495753 AKZGAZVESGTNFY-JSGCOSHPSA-N 318.377 -0.227 30 20 DBED CN1C(=O)CC[C@@H]1CC(=O)N1CCO[C@@H]2CN(CC#N)C[C@@H]21 1083161398 AQMKTWSWDHGLTF-FRRDWIJNSA-N 306.366 -0.568 30 20 DBED C=CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CN1CC(=O)NC1=O 1083225873 TYCZASPAAYMRSY-NWDGAFQWSA-N 322.365 -0.974 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCCN(C(C)=O)C2)C1 1083617501 PEKKUWKCVWILOW-ZNMIVQPWSA-N 309.410 -0.018 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2cccc(-n3cncn3)c2)C1 1083765483 GWLFWIYUDFQWDE-CABCVRRESA-N 311.345 -0.325 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)c2cccc3nnn(C)c23)C1 1084130719 DBAHMCSUJJKICG-KGLIPLIRSA-N 313.361 -0.234 30 20 DBED C#CCN1CCC(C(=O)N2C[C@H]3CCN(CC(N)=O)C[C@H]32)CC1 1084851223 SKRIHQPZGBOBOH-HUUCEWRRSA-N 318.421 -0.650 30 20 DBED CN(C[C@@H]1CCN1CC#N)C(=O)[C@@H]1Cc2cncn2C(=O)N1 1085737027 CFYFZSFCHIWPDI-JQWIXIFHSA-N 302.338 -0.578 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2cnc3[nH]nnc3c2)[C@H](O)C1 1090328017 WXVAPJRUNAFNKX-MWLCHTKSSA-N 301.310 -0.959 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2nc[nH]c3nccc2-3)[C@@H](O)C1 1090398167 VXEYZRHVNZPLGN-MNOVXSKESA-N 300.322 -0.402 30 20 DBED COCC[C@H](C)C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1O 1090427823 BVICBXJANBYZJS-QJPTWQEYSA-N 319.365 -0.313 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2ccc3nnc(O)n3c2)[C@H](O)C1 1090640064 GEFBMDBXPGXZLJ-VXGBXAGGSA-N 315.333 -0.767 30 20 DBED C#CCNC1CC(CNC(=O)[C@@H]2CCc3nnc(O)n3C2)C1 1091104841 BSHKVUPAXYRRMV-MOENNCHZSA-N 303.366 -0.336 30 20 DBED N#Cc1ccc(NC2CC(CNC(=O)Cn3ncnn3)C2)nn1 1092241533 VCIMZRLCNKUPHB-UHFFFAOYSA-N 313.325 -0.658 30 20 DBED C[C@H](NC(N)=O)C(=O)N1CCN(c2ccnc(C#N)n2)CC1 1093145417 PBKAQDXSIJTRNZ-VIFPVBQESA-N 303.326 -0.946 30 20 DBED N#Cc1cccnc1N1C[C@H]2C(NC(=O)CCNC(N)=O)[C@@H]2C1 1093266731 CDJLPAZFKXJFLV-GHMZBOCLSA-N 314.349 -0.438 30 20 DBED C#CCN1CC(OC2CCN(C(=O)[C@@H]3CC(=O)N(C)C3)CC2)C1 1093540082 CFOJIECNELDKEB-CYBMUJFWSA-N 319.405 -0.210 30 20 DBED N#Cc1c[nH]ccc1=NCCNC(=O)C1CCN(C(N)=O)CC1 1093629368 NMWKAVZVGQQTAX-UHFFFAOYSA-N 316.365 -0.306 30 20 DBED CCN1CCO[C@@H](C(=O)NCCN=c2cc(C)[nH]cc2C#N)C1 1093655002 XKERUYXXOQRROC-OAHLLOKOSA-N 317.393 -0.068 30 20 DBED Cc1cc(=NCCNC(=O)c2cn(C)c(=O)n2C)c(C#N)c[nH]1 1093683523 AQCATDIBLQVYOK-UHFFFAOYSA-N 314.349 -0.437 30 20 DBED N#Cc1c[nH]ccc1=NCCNC(=O)c1ccc(C(N)=O)cn1 1093704775 IKXUPXHVEOGUBL-UHFFFAOYSA-N 310.317 -0.289 30 20 DBED CC(=O)N1CC[C@](C)(C(=O)NCCN=c2cc[nH]c(C#N)n2)C1 1093849903 QLYUTPMSOBXLJL-HNNXBMFYSA-N 316.365 -0.443 30 20 DBED N#Cc1cccnc1NCCNC(=O)c1nnc(O)nc1O 1094253236 HJUFMHMOAHYQFR-UHFFFAOYSA-N 301.266 -0.609 30 20 DBED N#Cc1cnc(NCCNC(=O)c2nnc(O)nc2O)c(F)c1 1094253242 HPNQGFPPNGPRDO-UHFFFAOYSA-N 319.256 -0.470 30 20 DBED CC#CCN1CC(N2C[C@@H](NC(=O)C3CCOCC3)CC2=O)C1 1094694024 WISJPYDLQFNTDD-AWEZNQCLSA-N 319.405 -0.162 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CC(=O)N(C3CN(CCO)C3)C2)C1 1094781897 CTMNCVLCIGTAPH-GFCCVEGCSA-N 307.394 -0.264 30 20 DBED CCNC(=O)CC(=O)N1CC[C@@H](Nc2nccnc2C#N)C1 1095037048 YGWADLSXPYTZRK-SNVBAGLBSA-N 302.338 -0.113 30 20 DBED C=CCN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1c(O)nnc1O)C2 1095046229 XONMYEGTUFHKQC-AXFHLTTASA-N 307.354 -0.156 30 20 DBED CNC(=O)CC(=O)N1CC[C@@H](N(C)c2cnc(C#N)cn2)C1 1095113436 QUOLXFGJUARQFB-LLVKDONJSA-N 302.338 -0.479 30 20 DBED CN1C[C@@H](C(=O)NCCCN(C)c2cnc(C#N)cn2)NC1=O 1095697064 VNUHGGXMIDIHGC-NSHDSACASA-N 317.353 -0.686 30 20 DBED C[C@@H](CC(N)=O)C(=O)NCCCN(C)c1ccc(C#N)nn1 1095704821 IWLARFBSFGSEHF-JTQLQIEISA-N 304.354 -0.198 30 20 DBED COC(=O)NCC(=O)N[C@@H]1CCCN(c2nccnc2C#N)C1 1096138283 SPPSYAPDHZNNIH-SNVBAGLBSA-N 318.337 -0.211 30 20 DBED CCS(=O)(=O)CC(=O)N[C@@H]1CCN(c2cncc(C#N)n2)C1 1096389534 IJFBCUGZEDPDTL-SNVBAGLBSA-N 323.378 -0.522 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CCN(c2nccn3nnnc23)C1 1096393307 KNNXHJAYWCEFPM-GHMZBOCLSA-N 317.353 -0.195 30 20 DBED CCC(=O)N[C@@H](C)C(=O)N[C@@H]1CCN(c2ccnc(C#N)n2)C1 1096494183 GDQAKLVFPIKBQR-WDEREUQCSA-N 316.365 -0.042 30 20 DBED CCC(=O)NCC(=O)N1CC[C@H](N=c2cc[nH]cc2C#N)C1 1096927525 QCRNVMIEDZMYPC-LBPRGKRZSA-N 301.350 -0.086 30 20 DBED C[C@@H](CNC(=O)CN1CCCC1=O)Nc1nccnc1C#N 1097697699 YPELJSPLRKZBEV-JTQLQIEISA-N 302.338 -0.113 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H](C)Nc1ncnc2[nH]cnc12 1097769166 YYSWFZDYPZMJJW-VIFPVBQESA-N 315.337 -0.591 30 20 DBED CCC(=O)N[C@H](C)C(=O)NC[C@@H](C)N=c1cc[nH]c(C#N)n1 1098342900 VIOHUEJNKPLHOV-NXEZZACHSA-N 304.354 -0.399 30 20 DBED C[C@@H](CNC(=O)[C@H]1CC(=O)N(C)C1)Nc1cncc(C#N)n1 1098345668 DKQQTIJPNMUBNG-UWVGGRQHSA-N 302.338 -0.257 30 20 DBED C[C@@H](CCNC(=O)c1cnnn1C)N=c1cc[nH]c(C#N)n1 1099078519 YXAOERZJHFFKSF-VIFPVBQESA-N 300.326 -0.481 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H]2CCN(CCOCCO)C[C@H]2O)c1 1099757850 KORQEOBRGCMFTA-GXTWGEPZSA-N 322.365 -0.940 30 20 DBED N#CCNC(=O)CN1CC[C@@H](NC(=O)Cc2ccoc2)[C@@H](O)C1 1099787136 UGNJZKUIOSGOAU-OLZOCXBDSA-N 320.349 -0.987 30 20 DBED C=CCN1CC[C@@H](NC(=O)CNC(=O)c2cscn2)[C@H](O)C1 1100064756 QVMIPSWPJMECTR-ZYHUDNBSSA-N 324.406 -0.390 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)c2c[nH]cc2C)[C@@H](O)C1 1100107762 LISHEIROMPIPMA-KGLIPLIRSA-N 320.393 -0.210 30 20 DBED CN(CCNC(=O)[C@@]1(C)CCNC1=O)c1cnc(C#N)cn1 1100325544 MBABAERTFFESBA-AWEZNQCLSA-N 302.338 -0.573 30 20 DBED C[C@@H](C(=O)NCCN(C)c1nccnc1C#N)[C@@H]1CCC(=O)N1 1100334102 RWFHKIISLCDWQS-MNOVXSKESA-N 316.365 -0.185 30 20 DBED COCC(=O)NCCC(=O)NCCN(C)c1cncc(C#N)n1 1100375855 JNHPFXDMDHNQEP-UHFFFAOYSA-N 320.353 -0.947 30 20 DBED CCN(CCNC(=O)[C@@H]1CN(C)C(=O)N1)c1ccnc(C#N)n1 1100684656 VSVFCNLMUCHJGY-JTQLQIEISA-N 317.353 -0.686 30 20 DBED C[C@]1(C(=O)NCC2CC(NCC(=O)NCC#N)C2)CCOC1 1100791631 OAAOATUDZRQYAR-QOZQQMKHSA-N 308.382 -0.463 30 20 DBED COCCO[C@@H](C)C(=O)NC[C@@H](O)CNc1ccc(C#N)nc1 1105963686 UHPMHZLZQOAAQA-FZMZJTMJSA-N 322.365 -0.106 30 20 DBED C[C@@]1(C(=O)NC[C@@H](O)CNc2ccc(C#N)nc2)CCNC1=O 1106104706 PIDDIBUVSJAITD-SWLSCSKDSA-N 317.349 -0.632 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H](O)CNC(=O)CCc1cnc[nH]1 1106150426 TVQAWENKPHJONU-CYBMUJFWSA-N 314.349 -0.380 30 20 DBED COCC#CCN1CCO[C@@](C)(CNC(=O)c2ncc[nH]2)C1 1107928163 AGEQXCHPCLLCHQ-HNNXBMFYSA-N 306.366 -0.120 30 20 DBED Cc1cc(C#N)nc(NC[C@H](C)NC(=O)[C@H]2COCCO2)n1 1108277670 UABIODSJWFTVOZ-CMPLNLGQSA-N 305.338 -0.011 30 20 DBED C=CCO[C@H](C)C(=O)N1CCN(CC)[C@H]2CS(=O)(=O)C[C@H]21 1108490858 CIWXLVZXZAIVLY-FRRDWIJNSA-N 316.423 -0.093 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)[C@H](C)NC(=O)CC)CC2=O)C1 1108548371 LVXVQRBAWIWGQQ-NWDGAFQWSA-N 322.409 -0.512 30 20 DBED CN(C)[C@H](C(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1)C1CC1 1108552477 MJSFBLYSPDCWDX-DOMZBBRYSA-N 319.409 -0.749 30 20 DBED C[C@H](CN(C)c1cnc(C#N)cn1)NC(=O)c1cnn(C)c1N 1108933157 KXOFDPRHDBWFLJ-SECBINFHSA-N 314.353 -0.081 30 20 DBED C[C@H](CN(C)c1ccc(C#N)nn1)NC(=O)Cn1cnnc1O 1108945834 XRTBDCXSCZVKOZ-SECBINFHSA-N 316.325 -0.714 30 20 DBED CC(=O)NCC(=O)N[C@@H]1[C@H]2C[C@H]1N(c1ncc(C#N)cc1F)C2 1109670582 FVACNKMTTCIRQE-ZKYQVNSYSA-N 317.324 -0.078 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cnccn1 1110245228 IYSHUSFJQFLHRL-BZPMIXESSA-N 313.361 -0.439 30 20 DBED N#Cc1c[nH]ccc1=NC1(CNC(=O)C[C@H]2CCNC2=O)CC1 1110250416 IRCRMDGXPYJEJJ-LLVKDONJSA-N 313.361 -0.038 30 20 DBED CN1CC[C@H](C(=O)NCC2(Nc3cncc(C#N)n3)CC2)C1=O 1110307043 LNMBFJHHYZPBEV-LLVKDONJSA-N 314.349 -0.113 30 20 DBED C=CCNC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CC(=O)NC 1110483452 VIPHERNZMJZLPE-LPWJVIDDSA-N 322.409 -0.465 30 20 DBED C[C@@]1(CNC(=O)CC(N)=O)CCCN(c2cnc(C#N)cn2)C1 1110919351 DGLXOWMUQJIOHS-HNNXBMFYSA-N 316.365 -0.054 30 20 DBED CN(C)CCC(=O)NC[C@@]1(O)CCN(c2ccncc2C#N)C1 1111124671 QZXFRSOWSFMDTK-INIZCTEOSA-N 317.393 -0.038 30 20 DBED C[C@@H]1CN(C(=O)CNC(N)=O)C[C@@H]1CNc1cnc(C#N)cn1 1111241251 RAMGORKWWRHBEK-ZJUUUORDSA-N 317.353 -0.477 30 20 DBED N#Cc1nccnc1NCCN(CCO)C(=O)c1cncnc1 1111465934 YUPNUKUXDZKLKU-UHFFFAOYSA-N 313.321 -0.315 30 20 DBED C=CCOCC(=O)N1CCN(CCCN2C(=O)CNC2=O)CC1 1112704005 MFUXAYPPPLDKPO-UHFFFAOYSA-N 324.381 -0.725 30 20 DBED CNC(=O)CC(=O)NC[C@H]1CN(c2ccncc2C#N)C[C@H]1O 1112709169 GGFCNZBAENERFF-WCQYABFASA-N 317.349 -0.997 30 20 DBED C#CCOCCC(=O)N1CCN([C@@H]2CCCN(C)C2=O)CC1 1112843901 LSMPMKUYTNQZLI-CQSZACIVSA-N 307.394 -0.209 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1113126018 WMTSLYBMNUVLQK-JYKNGBAOSA-N 318.377 -0.806 30 20 DBED Cc1cc(=N[C@@H](C)[C@H](C)NC(=O)Cn2ncnn2)c(C#N)c[nH]1 1113192820 BXXKVRPAWDWNLE-QWRGUYRKSA-N 314.353 -0.325 30 20 DBED Cc1ncc(C(=O)N2CCN(CC(=O)NCC#N)CC2)n1C 1113258078 XYCFSFIFAGTUDB-UHFFFAOYSA-N 304.354 -0.874 30 20 DBED COCC#CCN1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)CC1 1113348846 HNIQXEIFCKDAHJ-KGLIPLIRSA-N 307.394 -0.318 30 20 DBED CC(=O)CCCC(=O)NC1[C@H]2CN(CC(=O)NCC#N)C[C@H]12 1113857529 MIQUUORHRRMVSZ-RYUDHWBXSA-N 306.366 -0.568 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)c3nccnc3N)[C@H]2C1 1114056880 DLFNRCKXGOXCPQ-GDNZZTSVSA-N 301.350 -0.631 30 20 DBED C[C@H](C#N)C(=O)NC1[C@@H]2CN(CCN(C)S(C)(=O)=O)C[C@@H]12 1114066529 DLWHODATAPQOKF-GMTAPVOTSA-N 314.411 -0.916 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)[C@H](OCC)C(C)C)[C@@H]2C1 1114268642 OZWDNEMFNVGXDN-XJKCOSOUSA-N 321.421 -0.157 30 20 DBED CC#CCN1C[C@H]2C(NC(=O)CCCN3C(=O)CCC3=O)[C@@H]2C1 1114371141 BZSIPOBNUZABDF-CHWSQXEVSA-N 317.389 -0.015 30 20 DBED C=CCN1C[C@H]2[C@H](NC(=O)CCc3nnc(O)nc3O)[C@H]2C1 1114515463 DPVDCHWSIHSKMO-GDGBQDQQSA-N 305.338 -0.552 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)c3cnco3)[C@H]2C1 1114641883 LKTLGPSYYZXJKA-DCAQKATOSA-N 302.334 -0.528 30 20 DBED C=CCC[C@@H](C)N1C[C@H]2[C@H](NC(=O)CN3C(=O)CNC3=O)[C@H]2C1 1115210517 JCJNXLXCIZQGKH-FJJYHAOUSA-N 320.393 -0.061 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@@H]3CCN(C)C3)[C@H]2C1 1115242282 YQBDBFLQHMQEPI-CXTNEJHOSA-N 306.410 -0.713 30 20 DBED C[C@@H](CN(C)C(=O)c1cc[n+]([O-])cc1)N=c1cc[nH]c(C#N)n1 1115635473 DTGLYLOWRAAJRH-NSHDSACASA-N 312.333 -0.024 30 20 DBED C#CCC[C@H](O)CNC(=O)CCc1nc(O)c2cnn(C)c2n1 1116905328 WKLAEJMTIAFZRQ-JTQLQIEISA-N 317.349 -0.108 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)c2nncn2C)C1=O 1117334980 DADYQNPCJZBUGD-QMMMGPOBSA-N 321.293 -0.604 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)NC[C@]1(OC)CCOC1 1118711551 RXJCXKFWUHMFAP-OAHLLOKOSA-N 312.366 -0.594 30 20 DBED Cc1cc(C(=O)NC[C@@H](CO)Nc2nccnc2C#N)n(C)n1 1121150301 JCWLBTOTTYCUFF-JTQLQIEISA-N 315.337 -0.407 30 20 DBED Cn1nccc1C(=O)NC[C@H](CO)Nc1cncc(C#N)n1 1121177399 LJPZWVAJBOEHAC-SNVBAGLBSA-N 301.310 -0.715 30 20 DBED N#Cc1nccnc1N[C@@H](CO)CNC(=O)C1CCC(O)CC1 1121496026 DJNSVNJBZLLSTR-MOENNCHZSA-N 319.365 -0.212 30 20 DBED CN1CC[C@H](C(=O)NC[C@H](CO)Nc2ncc(C#N)cc2F)C1 1121591708 VBRVVCZXUJKFMW-NWDGAFQWSA-N 321.356 -0.067 30 20 DBED Cn1cncc1CC(=O)NC[C@H](CO)Nc1ccc(C#N)cn1 1121799296 DJZVKYHDVKIWJT-GFCCVEGCSA-N 314.349 -0.182 30 20 DBED CCN(C)CCC(=O)NC[C@@H](CO)Nc1cnc(C#N)cn1 1122026548 CWJVXKVZOJTRPT-LBPRGKRZSA-N 306.370 -0.421 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)c2cnnc(O)c2)cn1 1122158056 GCZJOKRWCFEESR-LBPRGKRZSA-N 314.305 -0.348 30 20 DBED N#Cc1c[nH]ccc1=N[C@H](CO)CNC(=O)[C@]1(F)CCOC1 1122411501 QJTXBMYSLXPPQL-FZMZJTMJSA-N 308.313 -0.607 30 20 DBED N#Cc1c[nH]ccc1=N[C@H](CO)CNC(=O)c1csc(O)n1 1122430425 NXAFMBXDFZBYDV-VIFPVBQESA-N 319.346 -0.260 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)Cc2cnc[nH]2)cn1 1122620196 CMYZPGBBRXIDHA-CYBMUJFWSA-N 300.322 -0.192 30 20 DBED CC[C@@H](OC)C(=O)N(C)C[C@@H](O)CN=c1cc[nH]c(C#N)n1 1124150939 ZBHOPWVCVGMXAW-WDEREUQCSA-N 307.354 -0.574 30 20 DBED CN(C[C@H](O)CNc1ccc(C#N)nc1)C(=O)Cn1cncn1 1124346940 UKRNXXLBSUTQEV-CYBMUJFWSA-N 315.337 -0.524 30 20 DBED CC(C)N(C)CC(=O)N(C)C[C@H](O)CN=c1cc[nH]c(C#N)n1 1124381963 RAOXDSLZDPNKQT-GFCCVEGCSA-N 320.397 -0.658 30 20 DBED CCN(C)CCC(=O)N(C)C[C@H](O)CNc1ccc(C#N)nn1 1124493173 LOEKKRLGVUBOIN-CYBMUJFWSA-N 320.397 -0.079 30 20 DBED CN(C)CCCC(=O)N(C)C[C@H](O)CN=c1cc[nH]c(C#N)n1 1124684018 XJKCBOMEPSWHCE-GFCCVEGCSA-N 320.397 -0.657 30 20 DBED CN(C[C@H](O)CNc1cncc(C#N)n1)C(=O)[C@@]12COC[C@@H]1C2 1124820919 DCIUQOWWXFCIGF-NVBFEUDRSA-N 317.349 -0.384 30 20 DBED C[C@H](C#N)C(=O)NCCNCC(=O)NC(=O)NC1CCCC1 1124895026 CJKGRNXVJPDDDB-SNVBAGLBSA-N 309.370 -0.380 30 20 DBED C#CCNC(=O)CC(=O)NCCNCCCO[C@H]1CCOC1 1125998071 JKXNTBAONUYLRV-ZDUSSCGKSA-N 311.382 -0.973 30 20 DBED CC(C)C#CC(=O)NCCNC[C@H](O)COC[C@@H]1CCCO1 1126823073 OCFHDKQPMBMHNP-GJZGRUSLSA-N 312.410 -0.092 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@H]1CCCc2c[nH]nc21 1127333980 PJMRHDUMBZGJCJ-LBPRGKRZSA-N 303.366 -0.715 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)CNC(=O)c1ccoc1 1127962547 UVHCWOKIQHVQPD-NSHDSACASA-N 322.365 -0.594 30 20 DBED N#CCN1CCn2ncc(CNC(=O)C3(C(N)=O)CC3)c2C1 1128476676 XJQHOHMVBRKMQF-UHFFFAOYSA-N 302.338 -0.896 30 20 DBED CC(C)(C)C#CC(=O)N1C[C@H](n2ccnn2)[C@H](NCC(N)=O)C1 1129822216 KXODKJLGOSJEFU-NEPJUHHUSA-N 318.381 -0.846 30 20 DBED COCC#CCN1C[C@H]2C[C@H]3CN(C(=O)CCOC)C[C@@]3(C1)O2 1131174440 OTTQHVFOCKGLFX-ZMSDIMECSA-N 322.405 -0.026 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)C(=O)NCC2CC2)CC1 1131390104 ATDOBXOLIGMQNC-UHFFFAOYSA-N 322.409 -0.651 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1cnn2c1CCCC2 1146776168 CZZIDFWOGODKCM-GFCCVEGCSA-N 317.393 -0.323 30 20 DBED C#CCO[C@H](C)C(=O)N1CC2(CCN([C@@H](C)C(=O)NC)C2)C1 1147534436 HHJWSSKQTTZRFA-QWHCGFSZSA-N 307.394 -0.307 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)[C@H]1CCCCN(C)C1=O 1147639737 YQPOCRCRHLPWJM-QWHCGFSZSA-N 324.425 -0.359 30 20 DBED N#CCNC(=O)CN1CCC2(C1)CN(C(=O)c1ncccn1)C2 1148477592 YYHCWZWMSQEOOA-UHFFFAOYSA-N 314.349 -0.736 30 20 DBED CCN(CC#N)[C@H](C)CNC(=O)CN(C)S(=O)(=O)N(C)C 1153313859 YKEBVCUCOXIPEN-LLVKDONJSA-N 319.431 -0.925 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)[C@H]1C[C@@H](C)CC(=O)N1 1158274616 AOYMXNFWKQAZKQ-JHJVBQTASA-N 324.425 -0.312 30 20 DBED C=CCNC(=O)CNCCCNC(=O)Cn1cc(C2CC2)nn1 1159831784 WFXUGRSPJQLZJN-UHFFFAOYSA-N 320.397 -0.446 30 20 DBED CN1CCC(CC(=O)NCCCNCC(=O)NCC#N)CC1 1167655447 PWZIWPSBPUNKEO-UHFFFAOYSA-N 309.414 -0.546 30 20 DBED COc1c(O)nc(O)nc1C(=O)NCCC1(CNCC#N)CC1 1167723999 JFFZMALSZAGFQN-UHFFFAOYSA-N 321.337 -0.090 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1cccc(OC)n1 1169941454 UJEHNXJNYGAIDB-UHFFFAOYSA-N 304.350 -0.451 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCC[C@@H](C)NC(=O)c1nc[nH]n1 1175777110 OCJOWMUBJSDMMC-VXGBXAGGSA-N 320.397 -0.179 30 20 DBED C=CCO[C@@H](C)C(=O)NCCCNCCN1C(=O)CCC1=O 1177277542 SFNDWZRMGGIOLL-LBPRGKRZSA-N 311.382 -0.178 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)CCCC(=O)NC)[C@H]1C 1178519925 PZBAFYVQTPSYOF-STQMWFEESA-N 322.409 -0.769 30 20 DBED COC1CC(C(=O)N2CC[C@H](NCC(=O)NCC#N)[C@@H]2C)C1 1178960565 FSVLHGFBJXRYJL-WTIISPKJSA-N 308.382 -0.370 30 20 DBED C=CCOCCCC(=O)N1CC[C@@H](NCc2nnn(C)n2)C1 1181890791 QSYZUZBLZRJAAP-GFCCVEGCSA-N 308.386 -0.117 30 20 DBED COCC(=O)N(C)CC(=O)N1CC[C@@H](CNCC#N)[C@@H](C)C1 1184534043 ISAOLTVSMVPJSY-STQMWFEESA-N 310.398 -0.311 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)C[C@H]2CCOC2)C1 1185430786 ZXGLAHYMDWUYDY-BFHYXJOUSA-N 307.394 -0.259 30 20 DBED N#CCNC[C@H]1CN(C(=O)Cn2nccn2)CC12CCOCC2 1186394565 WBCORENJWRNMNC-ZDUSSCGKSA-N 318.381 -0.354 30 20 DBED C=CCOCCN[C@@H]1CCN(C(=O)Cn2nc(C)ccc2=O)C1 1187269521 VKEQMVXJZMZZPI-CQSZACIVSA-N 320.393 -0.055 30 20 DBED C=CCCOCC(=O)N1CC[C@@H](NCC(=O)NC(=O)NC)C1 1188287089 DUEUOOIIDCGBKQ-LLVKDONJSA-N 312.370 -0.775 30 20 DBED C=CCOCC(=O)N1CC[C@@H](N(C)[C@@H]2CCC(=O)NC2=O)C1 1189381516 YFTKCQQEHPIANX-VXGBXAGGSA-N 309.366 -0.473 30 20 DBED CN(CC(=O)NCC#N)[C@@H]1CCN(C(=O)C[C@](C)(O)C2CC2)C1 1189696289 YNAKTGFKBCEBRA-CJNGLKHVSA-N 322.409 -0.290 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C[C@@H](O)COC)C1 1190722997 HCDALKDMZZGZKJ-OAGGEKHMSA-N 323.437 -0.376 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)/C(C)=C/CC)C1 1191474806 QJZAXXYXGFSKRQ-YADFJFBMSA-N 307.394 -0.358 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)CNC(=O)N2CCCC2)C1 1192862119 LISCGYKYZPSUOI-ZIAGYGMSSA-N 324.425 -0.081 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@]2(CC(C)C)CCNC2=O)C1 1193912099 RRYBZRAZXATDTJ-CPUCHLNUSA-N 321.421 -0.277 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1 1193961510 SQDIVWFPUQVGOM-KFWWJZLASA-N 311.426 -0.616 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)C2(C)CC=CC2)C1 1195842232 KMDUXNKUFVCBNZ-MGPQQGTHSA-N 319.405 -0.358 30 20 DBED C=CCCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCN(C(C)=O)C2)C1 1198200383 QXPPFIHAWFJHDB-RRFJBIMHSA-N 309.410 -0.018 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)C2CCOCC2)CC1 1199073321 QSKXGKJZCIBGHP-UHFFFAOYSA-N 307.394 -0.257 30 20 DBED C#CCNC(=O)CC(=O)N1CCC(NCc2cnnn2C)CC1 1200170622 DDRUHOOWCKAEMN-UHFFFAOYSA-N 318.381 -0.965 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)[C@@]2(C)CNC(=O)C2)CCCO1 1201053237 YZTULGPLHQBNLA-CZUORRHYSA-N 307.394 -0.257 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)[C@@H]2C[C@H](C)CO2)CC1 1201695311 WXUOMKMREIHIDJ-JSGCOSHPSA-N 307.394 -0.259 30 20 DBED N#CCNC(=O)CNC1CCN(C(=O)[C@@]2(F)CCOC2)CC1 1202173007 ZOGIKOKMESQCOQ-CQSZACIVSA-N 312.345 -0.665 30 20 DBED C#CCCN[C@H]1C[C@H]2CC[C@H]1N(C(=O)Cn1ncn(C)c1=O)C2 1204494312 IRYJOOXWLRILKO-HZSPNIEDSA-N 317.393 -0.426 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)[C@H]2C[C@@H](C)CO2)CC1 1205722288 OQQRWNGJMDPJOC-UKRRQHHQSA-N 321.421 -0.011 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)CN(CC)CC)CC1 1206653571 HFMFOVVNPOUTRC-UHFFFAOYSA-N 322.453 -0.094 30 20 DBED CCC(=O)N[C@@H](C)C(=O)N[C@@H]1CN(CC#CCOC)C[C@H]1C 1207077942 GBQJRGQUWCTFQG-HZSPNIEDSA-N 309.410 -0.013 30 20 DBED C=C(C)CCN1C[C@@H](NC(=O)C[C@H](NC(C)=O)C(N)=O)[C@H](C)C1 1209217415 GQOUHJABSFQLTK-KWCYVHTRSA-N 324.425 -0.231 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)Cc2nonc2C)[C@H](C)C1 1209911936 AVUJMXQSDMYFOP-ZWNOBZJWSA-N 319.365 -0.894 30 20 DBED C#CCCN1C[C@@H](NC(=O)CN(C)S(=O)(=O)CC)[C@H](C)C1 1209912412 KTKCMXCJDJNKKB-CHWSQXEVSA-N 315.439 -0.272 30 20 DBED C#CCN1C[C@@H](NC(=O)CN(C)S(=O)(=O)CC)[C@H](C)C1 1209919874 CILOTMSXYLNVAV-VXGBXAGGSA-N 301.412 -0.662 30 20 DBED C#CCCN[C@@H]1CCCN(C(=O)[C@@H](CCC(N)=O)NC(C)=O)C1 1210154436 MFLWMPLQZPILFV-ZIAGYGMSSA-N 322.409 -0.640 30 20 DBED COCC[C@H](C)C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1211162757 CCQMPQGARGDBPW-YNEHKIRRSA-N 310.398 -0.265 30 20 DBED COCC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CCCC(N)=O 1219071382 CLVSZUPAIPTECC-UONOGXRCSA-N 323.393 -0.797 30 20 DBED CCCCCCCN1C[C@H](O)[C@H](NC(=O)CNC(N)=O)C1 1219163047 CWMBSTLOVAGHFS-NEPJUHHUSA-N 300.403 -0.214 30 20 DBED CCC(C)(C)NC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H](C)C#N)C1 1219379158 NXNXEDBPKSBIAU-TUAOUCFPSA-N 310.398 -0.388 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 1219469265 LDGFTSJCCLQVCT-KGLIPLIRSA-N 304.350 -0.136 30 20 DBED C#CCCCC(=O)N[C@@H]1CN([C@@H](C)C(=O)NC2CC2)C[C@@H]1O 1219541135 DCEILSULPTZIGM-YUTCNCBUSA-N 307.394 -0.382 30 20 DBED COCCCC(=O)N1CC[C@H]2CCN(CC(=O)NCC#N)[C@H]2C1 1222337894 VFIBNILADDIJGV-KGLIPLIRSA-N 322.409 -0.024 30 20 DBED C#CCN1CCS(=O)(=O)[C@@H](CCNC(=O)c2ccon2)C1 1230426360 XRYYESWSBPRRBQ-NSHDSACASA-N 311.363 -0.473 30 20 DBED Cn1c(O)ncc(C(=O)/C=C\c2cn(CC(=O)O)nn2)c1=O 1253702128 DPGZMNABSHATMC-IHWYPQMZSA-N 305.250 -0.942 30 20 DBED C=C[C@H](COC)NC(=O)N1CCC[C@H]1CS(=O)(=O)NC 1255014438 XXRFJBTVMZAJII-MNOVXSKESA-N 305.400 -0.089 30 20 DBED C=CCCCNC(=O)C(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 1261166485 OMNPNQBJHNHLPZ-NSHDSACASA-N 317.411 -0.534 30 20 DBED N#CCCOCCN[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 1261237188 KIZHJPGMIQNNLY-CHWSQXEVSA-N 317.411 -0.996 30 20 DBED COCCN1CC[C@@H](NC(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)C1 1261447305 UYLZURZMFAWAMS-YNEHKIRRSA-N 308.382 -0.368 30 20 DBED C#CCNC(=O)CNC[C@@H]1CCCCN1C(=O)c1ncccn1 1265686366 OXTFNNUAUFRSMU-ZDUSSCGKSA-N 315.377 -0.190 30 20 DBED CCCc1cc(NC(=O)C(=O)NCC(=O)NCC#N)n(C)n1 1323359508 LDQZTZXWZOWMPF-UHFFFAOYSA-N 306.326 -0.933 30 20 DBED CS(=O)(=O)N1CCC(C(=O)N[C@H]2CCCN(O)C2=O)CC1 1330486982 IDZXEWIRLGDUBI-JTQLQIEISA-N 319.383 -0.846 30 20 DBED C#CCN(C(=O)C(=O)N1CC[C@@H]2COC(=O)N[C@H]2C1)C(C)C 1336579449 TUTXOGBSVUCNDN-NEPJUHHUSA-N 307.350 -0.187 30 20 DBED C=CCN(CCOC)C(=O)C(=O)NCC(=O)N1CCCCC1 1341782835 BBRHXNFKKCRTNU-UHFFFAOYSA-N 311.382 -0.224 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)NC[C@]1(C)CCC(=O)N1 1349405480 BDWAOFCWGMSNDU-NHYWBVRUSA-N 309.366 -0.684 30 20 DBED C#CCN(CC#CC)c1nnc(Cn2cc(CCO)nn2)n1C 1350255522 YKLKSBVVLJNBJG-UHFFFAOYSA-N 313.365 -0.547 30 20 DBED N#Cc1ccc(N2CC[C@H](N3C[C@@H](O)[C@@H](CO)C3)C2=O)cc1 1364725930 YMFBTKRBHXVKDO-VHDGCEQUSA-N 301.346 -0.051 30 20 DBED CC(C)OCC(=O)N(C)C[C@H](O)CNC(=O)c1ccc(C#N)[nH]1 1382959638 ZFYJINDHRQQLAS-GFCCVEGCSA-N 322.365 -0.140 30 20 DBED C[C@H](C#N)C(=O)N1CC([C@@H](C)NC(=O)CCn2cnnn2)C1 1383311703 JLQCDCLHLLUGEW-NXEZZACHSA-N 305.342 -0.814 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1C[C@@H](NC(=O)C2(NC(N)=O)CC2)C1 1384971357 PLSBXPXVWSZGPH-LPEHRKFASA-N 307.354 -0.642 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(N(C)C(=O)CS(C)(=O)=O)CC1 1395451430 SNSDWRJNPSOVEY-JTQLQIEISA-N 315.395 -0.360 30 20 DBED CNC(=O)NC(=O)[C@@H](C)N[C@H]1C[C@H](CNC(=O)[C@@H](C)C#N)C1 1397110426 LQKVQOHJPFLLJI-VLEAKVRGSA-N 309.370 -0.525 30 20 DBED C[C@@H](C#N)C(=O)NC1CN(C(=O)CCNC(=O)c2ccco2)C1 1398678218 CNVPDMODPMXRHH-JTQLQIEISA-N 318.333 -0.114 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNCc1nc(C2CC2)nn1C 1401504637 QTKVMYZDIOZPOV-GXSJLCMTSA-N 306.370 -0.581 30 20 DBED C[C@H](NC(N)=O)C(=O)N1CC2(CCN(C(=O)[C@H](C)C#N)C2)C1 1405993935 IVHOJCDQHHSNHR-ZJUUUORDSA-N 307.354 -0.736 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C)C(=O)c1ccnc2c1nnn2C 1408674113 QHJVROIKXMHZEW-VIFPVBQESA-N 315.337 -0.289 30 20 DBED CO[C@H]1CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)C[C@@H]1C 1412981651 MUFDSVPXBHNCIJ-ONGXEEELSA-N 306.322 -0.296 30 20 DBED CCS(=O)(=O)CC(=O)N(CCNC(=O)[C@@H](C)C#N)C1CC1 1415880607 DVODVBIKQLCVTQ-JTQLQIEISA-N 315.395 -0.312 30 20 DBED CCS(=O)(=O)CC(=O)N(CCNC(=O)[C@H](C)C#N)C1CC1 1415880608 DVODVBIKQLCVTQ-SNVBAGLBSA-N 315.395 -0.312 30 20 DBED N#Cc1cc(C(=O)NC[C@@H](O)CNC(=O)[C@H]2CCCO2)c[nH]1 1416726998 YBHKZJMZCSZOIO-VXGBXAGGSA-N 306.322 -0.728 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)CN2CCCNC2=O)C1 1430165497 JQJTYTVYNBTFOV-GMTAPVOTSA-N 307.354 -0.675 30 20 DBED C[C@H](C#N)C(=O)NC1CN(C(=O)[C@@H](C)CS(C)(=O)=O)C1 1430290326 LCTVHKDJOTZDDC-BDAKNGLRSA-N 301.368 -0.846 30 20 DBED CC(C)CNC(=O)NC(=O)[C@H](C)N1CC(NC(=O)[C@H](C)C#N)C1 1443460817 JYHLISMHVLXIAB-MNOVXSKESA-N 323.397 -0.183 30 20 DBED CCN(C(=O)Cn1cnnn1)[C@H]1CCN(C(=O)[C@@H](C)C#N)C1 1450759427 RERMHWOWESASSL-QWRGUYRKSA-N 305.342 -0.718 30 20 DBED CCS(=O)(=O)CC(=O)NC1(CNC(=O)[C@@H](C)C#N)CC1 1459100815 XSWAURSHCIAIEC-VIFPVBQESA-N 301.368 -0.654 30 20 DBED C[C@@H](CNC(=O)c1cn(C)c(=O)nc1O)N(C)C(=O)[C@H](C)C#N 1486876016 ONESGDSTYNORDR-BDAKNGLRSA-N 321.337 -0.778 30 20 DBED C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)N(C)Cc1nnn(C)n1 1505894512 RJHWYBMXZIFWJW-VIFPVBQESA-N 302.342 -0.340 30 20 DBED CO[C@@H](C(=O)O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 1574102663 YGISCKDONNKVBF-LLVKDONJSA-N 321.337 -0.652 30 20 DBED Cn1c(=O)[nH]c(N2CCC[C@@H]([C@H]3CCNC3)C2)c(C#N)c1=O 1579940149 SCJKUHNJQXWPIM-WDEREUQCSA-N 303.366 -0.229 30 20 DBED C#CCC[C@@H](O)CNC(=O)CNc1ccc(-c2nn[nH]n2)cn1 1588337329 NEKWBZWMZNGWKD-LLVKDONJSA-N 315.337 -0.436 30 20 DBED C#C[C@H]1CC[C@H](NC(=O)C(=O)N2C[C@H](C)O[C@H](C(=O)O)C2)CC1 1588510983 QKRPZQLLISMGGS-CYDGBPFRSA-N 322.361 -0.005 30 20 DBED C=C(Cl)C[C@H](N)C(=O)N1C[C@@H](C(=O)O)[C@H](C(=O)OC)C1 1588637016 CKOPJPOPTSOESZ-HLTSFMKQSA-N 304.730 -0.212 30 20 DBED C=CCCC(=O)NCCN1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)O)CC1 1588776773 GERISOUVZPLVPL-OLZOCXBDSA-N 323.393 -0.066 30 20 DBED COC[C@]1(C(=O)O)CN(C(=O)c2ccc(C#N)n2C)CCO1 1593979584 CVSXPVYZOVLTKX-AWEZNQCLSA-N 307.306 -0.161 30 20 DBED C#CCCCC(=O)N(C)C[C@@H](O)CN=c1cc[nH]c(C(=O)O)n1 1602701448 JVAFPBSGSCFLDU-NSHDSACASA-N 320.349 -0.369 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H](C)CN=c1cc[nH]c(C(=O)O)n1 1602813268 UUUAUANOQZAMNQ-XPTSAGLGSA-N 308.338 -0.160 30 20 DBED C[C@@H](CC(=O)O)C(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1 1604090565 RXDQUNRWSOPFBL-DTWKUNHWSA-N 316.335 -0.937 30 20 DBED O=C(NCC#CCO)NCc1ccc(-c2nn[nH]n2)cc1F 1606695334 CEGQFFMEJYKAAA-UHFFFAOYSA-N 304.285 -0.199 30 20 DBED C=CCNC(=O)CN1CCC[C@H](NC(=O)C2CN(C(C)=O)C2)C1 1713788644 HEDVUNQFESEUIB-AWEZNQCLSA-N 322.409 -0.653 30 20 DBED C=CCNC(=O)CNC[C@@H]1CCCCN1C(=O)c1cnon1 1717359173 JDGQRQNAYGAFPQ-NSHDSACASA-N 307.354 -0.044 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@H](NC(=O)[C@@H]2CCO[C@@H](C)C2)C1 1752672156 ABRITFNRAORSMQ-CRWXNKLISA-N 307.394 -0.212 30 20 DBED COCC#CCN[C@H](C)CNC(=O)[C@@H](C)N1C(=O)CCC1=O 1752877518 WJXAEDNGQVHSQB-VXGBXAGGSA-N 309.366 -0.732 30 20 DBED C=CCN1CC[C@H](NCCN(C)C(=O)Cc2nnc(C)o2)C1=O 1753185648 TXRUBSARKSOVMR-LBPRGKRZSA-N 321.381 -0.245 30 20 DBED C=CCNC(=O)[C@H](C)N1CC(CNC(=O)[C@H](C)n2cncn2)C1 1753400135 XYPRSCZLBBGYOI-RYUDHWBXSA-N 320.397 -0.422 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@H]1CN(Cc2cn(C)nn2)CCO1 1753649942 KAFKTNNSBOCOHB-UKRRQHHQSA-N 323.397 -0.541 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@]1(O)CCN(Cc2cnn(C)c2)C1 1754748744 MAIDMZIDIKSMNG-HOTGVXAUSA-N 322.409 -0.200 30 20 DBED C#CCNC(=O)CNCCN(CCO)C(=O)[C@@]12CCCC[C@H]1C2 1754891130 KIMBUVOIJBEQLI-WMLDXEAASA-N 321.421 -0.273 30 20 DBED N#CCNC(=O)CN1CCOC[C@H]1CNC(=O)[C@H]1CC1(F)F 1754966391 UUSCLAHSNDLWTI-NXEZZACHSA-N 316.308 -0.902 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@@H]1C 1755114743 VZMARXFXQULVAF-WCQYABFASA-N 304.350 -0.530 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)[C@H](C)CC(N)=O)CCO2 1755174419 QKZFJEYEWCZRSI-CYBMUJFWSA-N 307.394 -0.176 30 20 DBED CC#CCN1CC([C@@H](C)NC(=O)CN(C)S(=O)(=O)CC)C1 1755389517 YHMQJVYSAGKFGF-GFCCVEGCSA-N 315.439 -0.272 30 20 DBED C[C@H]1C[C@H](NCC(=O)NCC#N)CN1C(=O)COCC1CC1 1755670234 PZGFXKGAOSTXFB-AAEUAGOBSA-N 308.382 -0.368 30 20 DBED C=CCC[C@@H](C)NC[C@@H](O)CN(C)C(=O)C1CS(=O)(=O)C1 1755780294 CIBGXVTYODGZGC-DGCLKSJQSA-N 318.439 -0.205 30 20 DBED CN1CC[C@@H](CC(=O)N(C)C2CC(NCC(=O)NCC#N)C2)C1 1755863699 ICFHTYSITKZBDD-HSBZDZAISA-N 321.425 -0.453 30 20 DBED C=CCCOCC(=O)NCC1[C@@H]2CN(C(=O)CC(N)=O)C[C@@H]12 1756204043 ADJUABMHEPNRIW-RYUDHWBXSA-N 309.366 -0.725 30 20 DBED C=CCCC(=O)NC[C@@H](C1CC1)N(C)C(=O)Cn1cnnn1 1756405903 UTJSZWDWSDEZHN-LBPRGKRZSA-N 306.370 -0.008 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@H](NC(=O)C2=CCOCC2)C1 1756999426 YHCUYLXCPRARHA-CHWSQXEVSA-N 310.350 -0.776 30 20 DBED C=CCO[C@H](C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc[nH]c2)C1 1757005273 OREZSXHIXLHBOU-RAIGVLPGSA-N 307.350 -0.093 30 20 DBED C=C[C@](C)(O)CC(=O)N1C[C@@H](NC(=O)c2cnnn2C)[C@H](C)C1 1757067426 WFDMBVRXEATOTG-HFAKWTLXSA-N 321.381 -0.281 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@@H]1CN(C)C(=O)Cn1cccn1 1757274694 YLUXQDFMZDDVBQ-UONOGXRCSA-N 318.377 -0.019 30 20 DBED C=CC[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(O)O)C2 1800485284 AGOSHLHGPCKOEO-YFKTTZPYSA-N 312.366 -0.901 30 20 DBED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CC(O)C1)C2 1802016455 IZWHWMOJDDUKES-KEEGFVMWSA-N 320.389 -0.240 30 20 DBED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(F)CC1)CCO2 1839758873 NANODFLGKQLTFV-CQSZACIVSA-N 310.325 -0.422 30 20 DBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)C3(C)CC3)C2)C1 1839807313 ZMCIONQIRXZGJZ-MRXNPFEDSA-N 306.362 -0.124 30 20 DBED C=C(C)CN(CC)C(=O)[C@@H](C)N1CCN(S(N)(=O)=O)CC1 42634646 IBICDTSNCHXCCG-GFCCVEGCSA-N 318.443 -0.379 30 20 DBED COCCN1C(=O)/C(=C\Nc2[nH]ncc2C#N)C(=O)NC1=S 54500062 UIEYHZBFNTUOKT-VURMDHGXSA-N 320.334 -0.533 30 20 DBED C#CCN1CCC(C(=O)N2CCN(C(=O)CN(C)C)CC2)CC1 68063379 NGPPXPUQDWMOLB-UHFFFAOYSA-N 320.437 -0.436 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)CCc2nc(C)no2)CC1 78572842 SCBOVDZPOXWORT-UHFFFAOYSA-N 321.381 -0.243 30 20 DBED CC(C)NC(=O)C(=O)N1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 181169729 NCERHWKIQFOJGH-UHFFFAOYSA-N 317.349 -0.305 30 20 DBED CCN1CCN(CCNS(=O)(=O)c2ccc(C#N)nc2)CC1 189125243 OGNRIHGMMUTVCN-UHFFFAOYSA-N 323.422 -0.131 30 20 DBED C[N+]12CC(=O)O[B-]1(c1cccc(C(F)(F)F)n1)OC(=O)C2 200141001 ZWEWMCPRZJIIQY-UHFFFAOYSA-N 302.017 -0.194 30 20 DBED in-vitro COCCO[C@@H]1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)C1 275853177 SDBPTKPWHMLROL-SNVBAGLBSA-N 308.338 -0.803 30 20 DBED COC[C@H](C)N/C(N)=N/CCS(=O)(=O)N1CCSCC1 304742619 CSSCBCZNQFZYQB-JTQLQIEISA-N 324.472 -0.696 30 20 DBED CC(=O)N1CCN(/C(O)=N/C[C@@H]2CN(C)CCN2C)[C@H](C)C1 330094965 UQAGWCWOARIRIK-TZMCWYRMSA-N 311.430 -0.301 30 20 DBED C[C@@H](C(=O)N(C)CC(=O)N1CC(O)(CC#N)C1)n1cccn1 331373427 JPJRGYAJTPJKDD-NSHDSACASA-N 305.338 -0.611 30 20 DBED CNS(=O)(=O)c1ccc(C(=O)N2CC(O)(CC#N)C2)cc1 331913742 BCHGCNQTPNITGX-UHFFFAOYSA-N 309.347 -0.305 30 20 DBED CC(=O)NCC(=O)NCC(=O)N[C@H](C#N)c1ccccc1F 342859862 HZLMIHGVPVGAIG-GFCCVEGCSA-N 306.297 -0.241 30 20 DBED C[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)NCC#N)C[C@@H]1C 349510120 OJTOYWYDHYOXPL-QWRGUYRKSA-N 323.440 -0.263 30 20 DBED COCC(=O)N[C@@H](C(=O)Nc1ccn(CCC#N)n1)C(C)C 355548901 VIMRRYSIMNVYAC-CYBMUJFWSA-N 307.354 0.522 30 20 DBED CCO[C@H]1C[C@H](O)C12CCN(C(=O)NCC(=O)NCC#N)CC2 358282939 XJNLYBOZXMGDAH-RYUDHWBXSA-N 324.381 -0.412 30 20 DBED C[C@@H](c1ccccc1)[C@@H](NC(=O)Cn1cnc(C#N)n1)C(N)=O 359239461 LAPIOTNFKBJRCP-IINYFYTJSA-N 312.333 -0.076 30 20 DBED N#CCCn1ccc(=NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)[nH]1 361494975 BAOVILJKLUPJMN-SNVBAGLBSA-N 313.321 -0.067 30 20 DBED C=CCCCS(=O)(=O)N1CCNC(=O)[C@H]1CC(=O)OC 489045598 QYKGLWRDOYXKCW-SNVBAGLBSA-N 304.368 -0.354 30 20 DBED COC(=O)C1(O)CCN(C(=O)CNc2ccc(C#N)cn2)CC1 539916296 ACCLIVSVCQPLNK-UHFFFAOYSA-N 318.333 -0.108 30 20 DBED C[C@@H]1CC(=O)N[C@H](C(=O)N(CCC#N)CCN2CCOCC2)C1 559356829 BHCYJPNWWOUXOQ-KBPBESRZSA-N 322.409 -0.024 30 20 DBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N(C)CCNC(C)=O 566796332 YQZPVOMLPDVTMN-STQMWFEESA-N 311.382 -0.322 30 20 DBED COCCN(C)CCCNC(=O)C(=O)Nc1cccc(C#N)n1 583629464 JFBLMNGRHAQEJJ-UHFFFAOYSA-N 319.365 -0.024 30 20 DBED CC[C@H](NC(C)=O)C(=O)N(CCC#N)CCN1CCOCC1 601024326 WZJOXODBDJBRQB-AWEZNQCLSA-N 310.398 -0.024 30 20 DBED CN1CCO[C@@H](CS(=O)(=O)N2CCSC[C@@H]2C#N)C1 601387563 YRBFYNRUXGAGAV-WDEREUQCSA-N 305.425 -0.412 30 20 DBED CN(C)S(=O)(=O)N1CCN(C(=O)NCCCCC#N)CC1 609147277 KFVWCCOUPZEQOT-UHFFFAOYSA-N 317.415 -0.186 30 20 DBED C=CCn1cc(C(=O)N(C)CC(=O)N=c2cc(C)o[nH]2)nn1 648227170 URXGBJIWNRLXNG-UHFFFAOYSA-N 304.310 -0.107 30 20 DBED C=CC[C@]1(C(=O)N[C@H]2CCN(S(C)(=O)=O)C2)CCCN1 662829602 UUMKCOSFVUFWQE-WCQYABFASA-N 301.412 -0.165 30 20 DBED C=CCN(C(=O)C(=O)N1CCO[C@H](C(=O)O)C1)[C@@H](C)COC 662910687 BQHXXLHPRANVEG-QWRGUYRKSA-N 314.338 -0.652 30 20 DBED Cc1cc([C@@H](C#N)C(=O)c2cn(C)c(=O)n(C)c2=O)nc(C)n1 735208266 LHJSAXDKMRJBCD-SNVBAGLBSA-N 313.317 -0.019 30 20 DBED Cc1ccc(C(=O)NCC(=O)O)cc1S(=O)(=O)NCC#N 738260263 MHTHRRGUTADHFB-UHFFFAOYSA-N 311.319 -0.389 30 20 DBED C#C[C@H](NC(=O)CCCN1C(=O)CN(C)C1=O)[C@H]1CCCO1 772886247 DDLAQIAEJSJOGE-NWDGAFQWSA-N 307.350 -0.042 30 20 DBED C#CCOCCNC(=O)[C@H]1CCCN(S(=O)(=O)CC)C1 784596302 ZUYMFGZRYISLMV-LBPRGKRZSA-N 302.396 -0.186 30 20 DBED C=CCN1CC[C@H](N(C)Cn2nnc3c(cnn3C)c2=O)C1=O 799142479 ULMPJUQMAYNDNE-NSHDSACASA-N 317.353 -0.799 30 20 DBED C#CCCN1CCN(CC(=O)N2CCC(C(=O)O)CC2)CC1 833362419 QSODFUICSVYTBH-UHFFFAOYSA-N 307.394 -0.050 30 20 DBED C=C(CN(C)C)C(=O)N1CCN(S(=O)(=O)NC(C)C)CC1 837700308 UDOSCILZKISYSQ-UHFFFAOYSA-N 318.443 -0.509 30 20 DBED C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2COCO2)cc1 861967499 ZOMNSGMHLMVVSO-GFCCVEGCSA-N 324.358 -0.299 30 20 DBED C#C[C@H](C)NC(=O)[C@@]1(C(=O)N[C@H](C)C#C)C[C@H]1S(C)(=O)=O 867501218 DRATVEYNYWUERZ-DEKYYXRVSA-N 310.375 -0.935 30 20 DBED C#CCNC(=O)COC(=O)[C@@H]1CNC(=O)C[C@H]1C(F)(F)F 873456418 OCUZBCFIJDOBLA-HTQZYQBOSA-N 306.240 -0.406 30 20 DBED CN(C)CC#CCNC(=O)[C@H]1CNC(=O)C[C@@H]1C(F)(F)F 913525413 WJJJCMJWWUHSEQ-UWVGGRQHSA-N 305.300 -0.018 30 20 DBED C#CCN1CCC[C@H](NC(=O)CS(=O)(=O)NC(C)(C)C)C1 923584915 YKWOTJSVVIFTJN-LBPRGKRZSA-N 315.439 -0.082 30 20 DBED C#CCN1CCC[C@@H](NC(=O)CCCN2C(=O)CN(C)C2=O)C1 923591444 AVBCQMFDCRVIRL-CYBMUJFWSA-N 320.393 -0.126 30 20 DBED C[C@H](C#N)C(=O)N1CCCN(C(=O)[C@]2(C)CCNC2=O)CC1 942152998 MEOLQPGZYOHXTC-IAQYHMDHSA-N 306.366 -0.267 30 20 DBED C[C@H](C#N)C(=O)N1CCCC[C@@H](NC(=O)Cn2cnnn2)C1 943076734 ZBEKXQPIDYFWQI-GHMZBOCLSA-N 305.342 -0.670 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)[C@@H](C)C1 944137160 ZACIHCIAAPUCOY-QWHCGFSZSA-N 320.393 -0.270 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@H](CNC(=O)c2n[nH]cc2F)C1 944763602 ZXMLLCZIMGYKII-RKDXNWHRSA-N 309.301 -0.334 30 20 DBED C#CCCN1CC[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)C[C@@H]1C 947986473 WSWQWBPZDRDTSE-GXTWGEPZSA-N 319.409 -0.117 30 20 DBED C[C@@H]1C[C@@H](NC(=O)c2cn(C)c(=O)nc2O)CCN1CC#N 948032548 UYFWYTAIJCAZKQ-ZJUUUORDSA-N 305.338 -0.408 30 20 DBED CC#CCN1CCOC2(CCN(C(=O)Cn3nccn3)CC2)C1 949378872 BOCIBSIWGXZKCN-UHFFFAOYSA-N 317.393 -0.005 30 20 DBED C#CCCN1CC(N(CC)C(=O)[C@@H]2CN(C(C)=O)CCO2)C1 957343317 GVWXCNZTUOCHRO-HNNXBMFYSA-N 307.394 -0.210 30 20 DBED C=C(C)CN1C[C@H](CNC(=O)c2cn(CCOC)nn2)[C@@H](O)C1 958064441 SYMSWMYPDPIALR-JSGCOSHPSA-N 323.397 -0.477 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](NC(=O)c2cn(C)c(=O)cn2)[C@H](C)C1 958367941 GGHNFRDIIRBPDJ-HBNTYKKESA-N 317.349 -0.483 30 20 DBED C#CCCN1C[C@@H](O)[C@H](CNC(=O)c2c3c(nn2C)CCC3)C1 958588011 OASKGQSDDFGBKD-IUODEOHRSA-N 316.405 -0.045 30 20 DBED CCOc1cnc(C(=O)NC[C@@H]2CN(CC#N)C[C@@H]2O)cn1 958763014 QDHMIZKWHKDXCX-PWSUYJOCSA-N 305.338 -0.579 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H]2CN(C(=O)c3cccnn3)C[C@@H]21 960877180 HYBHLZBKXFEVDV-KGYLQXTDSA-N 315.333 -0.312 30 20 DBED C=CCCN1C[C@H]2C(NC(=O)CN3C(=O)NC(C)(C)C3=O)[C@@H]2C1 962458616 YUPLLGFHAZOGRM-GHMZBOCLSA-N 320.393 -0.061 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H]2CN(C(=O)Cn3ncnn3)C[C@H]21 963826833 WFKAOPSOULYNDF-GRYCIOLGSA-N 317.353 -0.718 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H]2CN(C(=O)Cn3ncnn3)C[C@H]21 963826834 WFKAOPSOULYNDF-SDDRHHMPSA-N 317.353 -0.718 30 20 DBED C[C@H](C#N)C(=O)N1CCC2(CC1)C[C@H]2NC(=O)Cn1nccn1 963895702 YPUHTDLSRGOLNQ-VXGBXAGGSA-N 316.365 -0.065 30 20 DBED C[C@H](C#N)C(=O)N1CC2(C[C@@H](NC(=O)c3cn(C)nn3)CO2)C1 965682463 CBEWHOFLOQOJMI-NXEZZACHSA-N 318.337 -0.926 30 20 DBED CCCc1cc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)n[nH]1 969454694 AYSOFCDXCKZTHG-WQAKAFBOSA-N 319.365 -0.177 30 20 DBED Cn1cc(C(N)=O)cc1C(=O)N1C[C@H]2CC[C@H]1CN2CC#N 971565547 QKILVVCUELDPGS-NEPJUHHUSA-N 301.350 -0.064 30 20 DBED C[C@H](C#N)C(=O)N1[C@H]2CC[C@H]1CC(NC(=O)Cn1ncnn1)C2 973609030 AOXAJAXODJQZJP-USWWRNFRSA-N 317.353 -0.529 30 20 DBED C=C1CC(C)(C(=O)N[C@H]2[C@@H]3CN(C(=O)Cn4cnnn4)C[C@@H]32)C1 977158705 UUMAGTAXDPJJJK-PJXYFTJBSA-N 316.365 -0.398 30 20 DBED C#Cc1cncc(C(=O)NC[C@H]2CC[C@@H](NC(=O)C(N)=O)C2)c1 982098610 PDGAHXNPFVHBGJ-WCQYABFASA-N 314.345 -0.437 30 20 DBED C#CCN[C@@H]1CCN(C(=O)Cn2ncn3nccc3c2=O)[C@H]1C 987114294 WNJUEBKUUBIVGX-NWDGAFQWSA-N 314.349 -0.897 30 20 DBED C[C@@H]1[C@@H](NC(=O)[C@@H]2COCCO2)CCN1C(=O)C#CC1CC1 987373045 KOKIREZVBCJLGT-XBFCOCLRSA-N 306.362 -0.079 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H](NC(=O)[C@]2(C)CCC(=O)N2)C1 989266819 YWPRSGLJLLMDMH-ZETOZRRWSA-N 306.366 -0.078 30 20 DBED Cc1nnc(CC(=O)N2CC(NC(=O)c3c[nH]c(C#N)c3)C2)o1 990930999 MXVBXMIXDTWXRN-UHFFFAOYSA-N 314.305 -0.239 30 20 DBED N#CCN1CC[C@@]2(NC(=O)CN3C(=O)CCC3=O)CCC[C@@H]12 992464119 KNWWLAHRHSHLRM-ABAIWWIYSA-N 304.350 -0.228 30 20 DBED C[C@@H]1[C@H](NC(=O)CN2CCN(C)C(=O)C2)CCCN1CC#N 993519417 JXBKTSYYDVWWLM-CHWSQXEVSA-N 307.398 -0.747 30 20 DBED C=CCN1CC[C@@H](n2cc(CNC(=O)[C@@H]3COC(=O)N3)nn2)C1 999982598 FXYMKTWOVSYXLW-NEPJUHHUSA-N 320.353 -0.565 30 20 DBED C=CCn1cc(C(=O)N2CC(CNC(=O)c3cnco3)C2)nn1 1003380951 JGDAWJYFHBFWNV-UHFFFAOYSA-N 316.321 -0.046 30 20 DBED C[C@@H](NC(=O)[C@H]1COCCN1C)C1CN(C(=O)C#CC2CC2)C1 1005927883 HEWDWXIMEJVGMG-IUODEOHRSA-N 319.405 -0.307 30 20 DBED C#CCN1CCC[C@H](CNC(=O)[C@H]2CC(=O)N(CCOC)C2)C1 1023404071 QMCBDZSWFMGIMZ-CABCVRRESA-N 321.421 -0.057 30 20 DBED C#CCN1CCCC[C@H]1CNC(=O)[C@@H]1CCN(C)S1(=O)=O 1024704268 JIHNPHATCLKEFY-STQMWFEESA-N 313.423 -0.376 30 20 DBED C[C@@H]1CCCN1CC(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1025683281 JWOCLTNZGXZMCR-BPLDGKMQSA-N 319.405 -0.428 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H](N(C)Cc2nc(=O)n(C)[nH]2)C1 1027336894 VPNOZAQUUNWLTK-QWRGUYRKSA-N 306.370 -0.309 30 20 DBED C#Cc1ccc(C(=O)NC2CN([C@@H]3CCC(=O)NC3=O)C2)cc1 1030776771 YIMNJAPOTVJDPI-CQSZACIVSA-N 311.341 -0.113 30 20 DBED C#Cc1ccc(C(=O)NC2CN([C@H]3CCC(=O)NC3=O)C2)nc1 1031278078 CGFPWXYDAUHHDT-ZDUSSCGKSA-N 312.329 -0.718 30 20 DBED C#Cc1ccc(C(=O)NC2CN([C@@H](C)C(=O)N(C)C)C2)nc1 1031279186 QSYPGXYGQHYBCY-NSHDSACASA-N 300.362 -0.046 30 20 DBED N#Cc1ccc(CN2CC(CNC(=O)[C@@H]3CNC(=O)N3)C2)cc1 1031945022 MPXFDTUYPCPMCG-AWEZNQCLSA-N 313.361 -0.212 30 20 DBED C=CCn1cc(C(=O)NCC2CN(Cc3cnn(C)n3)C2)nn1 1032035518 CIRRZAQROFXVJD-UHFFFAOYSA-N 316.369 -0.546 30 20 DBED N#CCN1C[C@@H]2C[C@H]1CN2C(=O)Cn1nc2ccccn2c1=O 1032550301 LLHXWVGKLJSCQJ-RYUDHWBXSA-N 312.333 -0.695 30 20 DBED CC#CCN1C[C@@H]2C[C@H]1CN2C(=O)CN1CC(=O)N(C)C1=O 1032729303 YGVIYEORNPGHPH-RYUDHWBXSA-N 304.350 -0.811 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCN([C@@H]2CCNC2=O)C1 1032837207 JPRWEFYHJDJVBJ-HZSPNIEDSA-N 304.394 -0.837 30 20 DBED Cc1cc(=O)c(C(=O)NC[C@@H]2CN(CC#N)CCO2)cn1C 1035412000 KOQXHZMPGVDBEA-GFCCVEGCSA-N 304.350 -0.352 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2CN(CC#CC)CCO2)nn1 1035535197 GNKZEUONCNUVAQ-ZDUSSCGKSA-N 303.366 -0.082 30 20 DBED C#CCN[C@@H]1CCN(C(=O)CN2C(=O)CN(C)C2=O)C[C@H]1C 1036281033 BLHFHXDEQGARCW-VXGBXAGGSA-N 306.366 -0.660 30 20 DBED CC(C)C#CC(=O)NC[C@]1(O)CCN(C(=O)[C@H](C)CC(N)=O)C1 1039665304 IRGKBNQZKGRWQJ-MLGOLLRUSA-N 323.393 -0.763 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@]1(O)CCN(C(=O)c2cc[nH]n2)C1 1039722206 TUFDHTRFVNVNHL-ABAIWWIYSA-N 320.349 -0.859 30 20 DBED N#CCN1[C@H]2CCC[C@H]1CN(C(=O)CC[C@@H]1NC(=O)NC1=O)C2 1039995706 RRYLGKPIDIJIMC-SRVKXCTJSA-N 319.365 -0.437 30 20 DBED C=CC(C)(C)C(=O)NC[C@]1(O)CCN(C(=O)c2ncn(C)n2)C1 1040484668 AZTVXEDSNVCMOI-OAHLLOKOSA-N 321.381 -0.280 30 20 DBED Cn1ccc(C(=O)N[C@@H]2CN(c3nccnc3C#N)C[C@H]2O)c1 1040987469 KYNOQPOYTVRVIB-CHWSQXEVSA-N 312.333 -0.334 30 20 DBED C[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1NC(=O)c1cnn(C)n1 1042058289 UNDVGOHCPHFFSI-BXKDBHETSA-N 312.337 -0.269 30 20 DBED C#CCCN1CC(N(C)C(=O)CN2C(=O)CC(C)(C)C2=O)C1 1042725810 FFMTWBZXJZIZEO-UHFFFAOYSA-N 305.378 -0.063 30 20 DBED COC(=O)[C@H]1C[C@@H]1C(=O)N1CC(O)(CNC(=O)C#CC(C)C)C1 1042936319 DQNMXQJVBDYWGC-RYUDHWBXSA-N 322.361 -0.856 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)CCc2cn[nH]c2)C1 1042942115 YXYSPHGEYWCREK-UHFFFAOYSA-N 318.377 -0.309 30 20 DBED CCn1ccc(C(=O)NCC2(O)CN(C(=O)C#CC3CC3)C2)n1 1043023451 NFMLOXPSEXLBAY-UHFFFAOYSA-N 316.361 -0.381 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)c2n[nH]cc2C)C1 1043033191 SVVYJPXLHMSERL-UHFFFAOYSA-N 320.349 -0.939 30 20 DBED C=CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)[C@@H]2CCCO2)C1 1043567399 CMQMIWQYIADERA-NEPJUHHUSA-N 312.366 -0.554 30 20 DBED C#CCCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCC(=O)N2)C1 1044262228 HPCGDIIZAAHAOC-LBPRGKRZSA-N 321.377 -0.852 30 20 DBED CC#CCCCC(=O)NCC1(O)CN(C(=O)Cc2cc[nH]n2)C1 1044994275 OAFJZPVCJSAYRT-UHFFFAOYSA-N 318.377 -0.165 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)Cc2ccc(O)nc2)C1 1047460676 MCFHXTBYXDTGOY-KBPBESRZSA-N 303.362 -0.144 30 20 DBED C#CCCCC(=O)N(C)[C@H]1CN(C(=O)[C@@H](C)CC(N)=O)C[C@@H]1O 1048758091 XBHWHZIXLLTVFZ-AVGNSLFASA-N 323.393 -0.669 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C2(N(C)C)CCC2)C1 1048981682 DJZCOMHMXVNTTN-AVGNSLFASA-N 322.409 -0.340 30 20 DBED CN(C(=O)c1cnco1)[C@H]1CN(C(=O)CSCC#N)C[C@@H]1O 1049122309 XLIIGBHOTBWLNF-UWVGGRQHSA-N 324.362 -0.425 30 20 DBED C#CCOCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cnco2)C1 1049122342 XWMBTOMKLSUOEX-RYUDHWBXSA-N 321.333 -0.642 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2ncccn2)C1 1049301808 BCNLKNALIIQWBA-STQMWFEESA-N 316.361 -0.076 30 20 DBED C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1COCCN1C(C)=O 1049905840 BJKPUSBERZWPEI-OAGGEKHMSA-N 319.405 -0.068 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)C1CCC(C(N)=O)CC1 1050992259 HKGRYNYGVTVIHW-JXQTWKCFSA-N 307.394 -0.272 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)[C@H]1CCCCN(C)C1=O 1051208854 DEWNNGHPWUMURF-UONOGXRCSA-N 307.394 -0.305 30 20 DBED C=C(C)CN1CCN([C@@H]2CCN(C(=O)[C@H]3CCNC3=O)C2)CC1 1052059298 GJKIOHMJBYRCTA-CABCVRRESA-N 320.437 -0.083 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)[C@@H]1C[C@@H]1C(=O)OC)CCO2 1053185660 QKMBFFVBEGQTOF-OLZOCXBDSA-N 306.362 -0.268 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCOC2(CN(CC#N)C2)C1 1053291473 RFNJLGGIBQPVEN-AWEZNQCLSA-N 302.378 -0.479 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)[C@H]1CCC(=O)NC1)CCO2 1053324457 DRMGDPFPEGLQTO-ZDUSSCGKSA-N 305.378 -0.551 30 20 DBED Cc1nc(O)[nH]c1C(=O)NC[C@H]1CCC2(CN(CC#N)C2)O1 1053614060 FTBKKMLEQBFGKZ-SNVBAGLBSA-N 305.338 -0.090 30 20 DBED C=CCN1CC2(C[C@@H](NC(=O)Cn3ccc(O)nc3=O)CO2)C1 1053863402 KPSTZECKVUBVMY-LLVKDONJSA-N 320.349 -0.906 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)C(=O)N3CC[C@H](C)C3)CO2)C1 1053976992 LWWALYYJIHTCHR-UONOGXRCSA-N 319.405 -0.162 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)c3cncc(C(N)=O)c3)CO2)C1 1054010591 USGWUCFLOBCGHT-GFCCVEGCSA-N 315.333 -0.723 30 20 DBED C#CCCCC(=O)N1CCC[C@@](CO)(NC(=O)c2cnon2)C1 1056070787 NLSIYANFAVGDAV-OAHLLOKOSA-N 320.349 -0.044 30 20 DBED Cc1cc(=N[C@@H]2CCN(C(=O)Cn3cncn3)C2)c(C#N)c[nH]1 1056635354 QGSXIIXQCDKCNL-CYBMUJFWSA-N 311.349 -0.012 30 20 DBED N#Cc1cncc(N2CCCN(C(=O)[C@H]3COCCO3)CC2)n1 1057091808 MIXYIJBCUSMFIX-CYBMUJFWSA-N 317.349 -0.198 30 20 DBED C[C@H](OCC1CC1)C(=O)N(CCO)CCNC(=O)[C@H](C)C#N 1057139091 XBSIRJXTDREQKA-NEPJUHHUSA-N 311.382 -0.102 30 20 DBED COc1cc(C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N)on1 1057398287 RVNYHASXORXLQA-VIFPVBQESA-N 310.310 -0.606 30 20 DBED C=CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)[C@H](C)OCC 1057922112 XHYRWNWXOTYGKK-STQMWFEESA-N 316.398 -0.060 30 20 DBED C[C@@]1(C(=O)N[C@@H]2CCN(c3cnc(C#N)cn3)C2)CCNC1=O 1058541483 LTLUHURPVWGMCU-MEBBXXQBSA-N 314.349 -0.431 30 20 DBED C=CCCCC(=O)N(CCO)CCNC(=O)c1cnn(C)n1 1058623200 JYCOWVVMXDQFRW-UHFFFAOYSA-N 309.370 -0.278 30 20 DBED N#Cc1ccc(N[C@H]2CCN(C(=O)[C@H]3COC(=O)N3)C2)nn1 1058883418 DUVMMOKWKNWBIB-VHSXEESVSA-N 302.294 -0.531 30 20 DBED N#Cc1ccc(N[C@H]2C[C@H](NC(=O)[C@@H]3COCCO3)C2)nn1 1059161218 CFPAPUFPXXRUQR-SRVKXCTJSA-N 303.322 -0.177 30 20 DBED CN1CC[C@@H](C(=O)N[C@H]2C[C@H](Nc3cnc(C#N)cn3)C2)C1=O 1059377295 UBJWBXLKSLJSBE-NHCYSSNCSA-N 314.349 -0.114 30 20 DBED NC(=O)NCC(=O)N[C@H]1CC[C@H](CNC(=O)C#CC2CC2)CC1 1060659264 XDECWVMCWVTTER-JOCQHMNTSA-N 320.393 -0.141 30 20 DBED C=C(C)CCC(=O)N1CCOC[C@@H]1CNC(=O)CC(=O)NC 1061530697 UQKGDIMKZLOKBW-LBPRGKRZSA-N 311.382 -0.178 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@H]1COCCN1C(=O)c1cocn1 1061542565 KZQZKNJNNRDFFT-NHYWBVRUSA-N 323.349 -0.041 30 20 DBED O=C(C#CC1CC1)NC[C@H]1COCCN1C(=O)c1ccncn1 1061571738 GJKBHUMCDBMBQI-ZDUSSCGKSA-N 314.345 -0.153 30 20 DBED N#Cc1nccnc1N1C[C@@H]2C[C@H]1CN2C(=O)Cn1nccn1 1062534493 HYVLEZPAHVPZFY-QWRGUYRKSA-N 310.321 -0.571 30 20 DBED C#CCCCC(=O)NCC1(NC(=O)[C@H]2CNC(=O)N2)CCC1 1062861808 YCBORZDKMKGSGC-LLVKDONJSA-N 306.366 -0.374 30 20 DBED C#CCOCCC(=O)NC1(CNC(=O)c2cn(C)nn2)CCC1 1062924142 GILYZRRZTVNEHR-UHFFFAOYSA-N 319.365 -0.376 30 20 DBED Cc1c(C(=O)N[C@H]2[C@H]3C[C@H]2N(c2ccc(C#N)nn2)C3)nnn1C 1064229421 IECILTGJYSUQLR-PXWWUCIGSA-N 324.348 -0.208 30 20 DBED C#CCCCC(=O)N1CCO[C@@H](CNC(=O)Cn2nccn2)C1 1065096002 UDPGUGWBARUQMB-ZDUSSCGKSA-N 319.365 -0.575 30 20 DBED Cc1nn[nH]c1C(=O)NC[C@H]1CN(C(=O)C#CC(C)C)CCO1 1065126156 KLLNBHZHTBSPJU-LBPRGKRZSA-N 319.365 -0.270 30 20 DBED CN1CC[C@@H](C(=O)N2CCO[C@H](CNC(=O)C#CC3CC3)C2)C1 1065168723 DVWQDWRZIVNZJG-HUUCEWRRSA-N 319.405 -0.305 30 20 DBED C=C(C)C(C)(C)C(=O)N1CCO[C@H](CNC(=O)CC(N)=O)C1 1065417519 NABYEMPYZIMGEP-LLVKDONJSA-N 311.382 -0.192 30 20 DBED CC(C)C#CC(=O)N1CCC[C@@H](NC(=O)Cn2ncnn2)CC1 1066203127 WWMPVDSDNGJJGY-CYBMUJFWSA-N 318.381 -0.170 30 20 DBED Cc1cc(C#N)nc(N2CCC[C@@H](NC(=O)C(N)=O)CC2)n1 1066782313 BKQVJCXDGXCEPS-SNVBAGLBSA-N 302.338 -0.383 30 20 DBED N#Cc1ccc(NCC2CC(NC(=O)Cn3cnnn3)C2)nc1 1067829472 YGGGDRLFPFDUPR-UHFFFAOYSA-N 312.337 -0.053 30 20 DBED CCc1nc(C#N)cc(N(C)C2CCN(C(=O)C(N)=O)CC2)n1 1068721765 PXBZFSPSZXFNHF-UHFFFAOYSA-N 316.365 -0.177 30 20 DBED C#CCO[C@H](C)C(=O)NC1(CNC(=O)[C@H](C)C#N)CCOCC1 1070118722 ZOFDPMBNEYEJIP-CHWSQXEVSA-N 321.377 -0.034 30 20 DBED C=C[C@@H](C)[C@@H](C)C(=O)NCC1(NC(=O)C(N)=O)CCOCC1 1070229947 PABIPHIBNQODNK-GHMZBOCLSA-N 311.382 -0.289 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)c4[nH]c(O)nc4C)C[C@@]3(C1)O2 1070813299 MWUSHTSOKFPNTH-HWWQOWPSSA-N 316.361 -0.028 30 20 DBED Cc1nn(CC(=O)N[C@H]2CC[C@H](C)N(CC#N)C2)c(=O)n1C 1072033110 KGECWOMSQNUNJF-JQWIXIFHSA-N 306.370 -0.617 30 20 DBED CC#CCCCC(=O)N[C@H]1CN(C(=O)c2nnn(C)n2)C[C@@H]1C 1072535055 RKDRWGVNCDXURA-RYUDHWBXSA-N 318.381 -0.020 30 20 DBED C#CCN1CCO[C@@H]2CCN(C(=O)c3[nH]c(O)nc3C)C[C@H]21 1074270131 CAHVPWPISCLPDQ-VXGBXAGGSA-N 304.350 -0.028 30 20 DBED CNC(=O)NCC(=O)N1CC[C@H](NC(=O)C#CC2CC2)C[C@H]1C 1074983444 FFAXMVMPGMRJKS-YPMHNXCESA-N 320.393 -0.176 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)c1cn(C)cn1 1076149527 QPBOBKUZCXXKRI-NSHDSACASA-N 319.365 -0.816 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H](C)CCNC(=O)[C@H]1CCCC(=O)N1 1076997202 IVUKLGHWYBYIPJ-RWMBFGLXSA-N 323.393 -0.296 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2ncnc3sccc23)C1 1077020774 XQTYKVJTHOSBSN-NXEZZACHSA-N 303.347 -0.010 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3nncn3CC2)C1 1077410989 MBZIHYUQERJSBU-JHJVBQTASA-N 305.382 -0.422 30 20 DBED Cn1cnc2cc(C(=O)N[C@@H]3CN(CC#N)C[C@H]3O)cnc21 1077501723 KSWMYLHHSAKCOV-VXGBXAGGSA-N 300.322 -0.733 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2cccc(-c3nc[nH]n3)c2)C1 1077501956 VSRZRVWROXIUBK-CHWSQXEVSA-N 312.333 -0.230 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)C(C)(C)N2CCOCC2)C1 1077840986 XEGPFBCMHCDNNZ-ZIAGYGMSSA-N 311.426 -0.165 30 20 DBED CCS(=O)(=O)NCC(=O)N[C@@H](C)CCNC(=O)[C@@H](C)C#N 1078135202 SYKFPJPTINFGGC-UWVGGRQHSA-N 318.399 -0.904 30 20 DBED C#CCO[C@H](C)C(=O)N(C)[C@H]1CCCN(C(=O)CC(N)=O)CC1 1078959648 MTRFPSCKYXHWRS-OLZOCXBDSA-N 323.393 -0.260 30 20 DBED C#CCNC(=O)CC(=O)N1CC(N(CC)C(=O)C[C@@H](C)OC)C1 1079458345 ISZZSIHJLXYXHH-GFCCVEGCSA-N 323.393 -0.390 30 20 DBED CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)C2CS(=O)(=O)C2)C1 1080414221 GYPOWMIIHNKRKN-SECBINFHSA-N 313.379 -0.750 30 20 DBED C=CCO[C@H](C)C(=O)N1CC(N(CC)C(=O)Cc2nc[nH]n2)C1 1080594070 ZXRKSEZRFWORRP-LLVKDONJSA-N 321.381 -0.002 30 20 DBED C[C@H](C#N)C(=O)NC1(CO)CCN(C(=O)c2cnn(C)c2)CC1 1080982167 VFMNNSVYCVOUNY-LLVKDONJSA-N 319.365 -0.337 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)C2=COCCO2)C[C@@H]1O 1081460790 LMSONIUZPMLKMI-STQMWFEESA-N 322.361 -0.531 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)Cc2ncc[nH]2)C1 1081692170 CHYVPEQJUXPIDW-NWDGAFQWSA-N 322.365 -0.910 30 20 DBED C=CCCCC(=O)NC[C@H]1CN(C(=O)Cc2nc[nH]n2)C[C@H]1O 1081705982 WVAZZNSXVXNJEC-NWDGAFQWSA-N 321.381 -0.361 30 20 DBED C#CCCN1C[C@@H](NC(=O)c2nccnc2C(N)=O)[C@H](OC)C1 1082361123 LJHKGSMJMGTSPO-GHMZBOCLSA-N 317.349 -0.972 30 20 DBED CC#CCN1C[C@@H](NC(=O)[C@H]2CCCN2C(C)=O)[C@H](OC)C1 1082388871 NZDHWBSEMLHJFZ-RBSFLKMASA-N 307.394 -0.164 30 20 DBED COc1ncnc(OC)c1C(=O)N[C@@H]1CN(CC#N)C[C@H]1OC 1082396836 SOPYCROXTDRRJP-NXEZZACHSA-N 321.337 -0.554 30 20 DBED CC(=O)N1CC[C@@H](C(=O)N2CCO[C@@H]3CN(CC#N)C[C@@H]32)C1 1083260861 SZIPDCWHYIHHCX-HZSPNIEDSA-N 306.366 -0.710 30 20 DBED C=CCN1CC[C@H](NC(=O)c2ccc3nn[nH]c3n2)[C@H](O)C1 1090310409 MACSEOCDHZTFMX-JOYOIKCWSA-N 302.338 -0.296 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)c2ccn3nnnc3c2)[C@@H](O)C1 1090487781 ZUVHKPFTNMACBN-OLZOCXBDSA-N 316.365 -0.135 30 20 DBED CC(=O)Nc1cc(C(=O)N[C@H]2CCN(CC#N)C[C@H]2O)ccn1 1090658444 YOKYTVZDPGVUJF-QWHCGFSZSA-N 317.349 -0.271 30 20 DBED CC#CCN1CC[C@@H](NC(=O)Cn2ccccc2=O)[C@@H](O)C1 1090799103 SHMRDTUARZOKDZ-KGLIPLIRSA-N 303.362 -0.577 30 20 DBED C=CCN1CC[C@@H](NC(=O)c2cncc(C(N)=O)c2)[C@@H](O)C1 1090822546 BGYKZDMHLKFVHV-OLZOCXBDSA-N 304.350 -0.469 30 20 DBED CC(=O)N(C)CC(=O)NC[C@H]1C[C@@H](N=c2cc[nH]c(C#N)n2)C1 1091325813 HQTHXMXBWSPFRK-TXEJJXNPSA-N 316.365 -0.445 30 20 DBED C[C@@H](C#N)C(=O)N1CC(n2cc(CNCc3cnon3)nn2)C1 1093311946 KHYGJMVYGATJLG-VIFPVBQESA-N 316.325 -0.506 30 20 DBED Cc1cc(=NCCNC(=O)c2cccn3nnnc23)c(C#N)c[nH]1 1093897552 ZYRVJYSVZDKYLS-UHFFFAOYSA-N 322.332 -0.037 30 20 DBED N#Cc1cnc(NCCCNC(=O)[C@@H]2CCCS2(=O)=O)cn1 1094445662 MHEHUEKRFSIVCX-NSHDSACASA-N 323.378 -0.156 30 20 DBED Cc1ncn(C)c1C(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1 1094747391 RAYVPGUCWZTHOZ-NSHDSACASA-N 316.365 -0.733 30 20 DBED Cc1c(C(=O)N[C@H]2CC(=O)N(C3CN(CC#N)C3)C2)ccn1C 1094782342 PKAYADJRICEJOE-LBPRGKRZSA-N 315.377 -0.128 30 20 DBED N#CCN1CC(N2C[C@H](NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)CC2=O)C1 1094790208 DJEVVHDJWNKKTK-ZRJCITRHSA-N 318.377 -0.521 30 20 DBED Cc1nc(CC(=O)NCCCN(C)c2cnc(C#N)cn2)n[nH]1 1095549348 FEZWHCZQEUAXAI-UHFFFAOYSA-N 314.353 -0.040 30 20 DBED CN(CCCNC(=O)C[C@@H]1CCC(=O)N1)c1ccnc(C#N)n1 1095591587 GTTSMXCLNWAJIY-NSHDSACASA-N 316.365 -0.041 30 20 DBED CN(CCCNC(=O)[C@]1(C)CCC(=O)N1)c1cnc(C#N)cn1 1095730906 AWSFYRJOUFEOBI-HNNXBMFYSA-N 316.365 -0.041 30 20 DBED N#Cc1cnc(N[C@H]2CCN(C(=O)C(=O)NCC3CC3)C2)cn1 1096953910 QFCZZRQMFUIEOG-NSHDSACASA-N 314.349 -0.113 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H](C)Nc1ncnc2[nH]cnc12 1097769165 YYSWFZDYPZMJJW-SECBINFHSA-N 315.337 -0.591 30 20 DBED C[C@H](CNC(=O)[C@H]1CCNC(=O)C1)Nc1nccnc1C#N 1097774471 RHARKAARNYZJCH-ZJUUUORDSA-N 302.338 -0.209 30 20 DBED Cc1cc(C#N)nc(N[C@H](C)CNC(=O)[C@H]2CN(C)C(=O)N2)n1 1098213498 JKFGGVOSPJMDEB-MWLCHTKSSA-N 317.353 -0.403 30 20 DBED C[C@H](NC(N)=O)C(=O)NCC[C@@H](C)Nc1cnc(C#N)cn1 1099040826 JZKZHBBSWRSTAG-BDAKNGLRSA-N 305.342 -0.288 30 20 DBED C[C@H](CCNC(=O)Cn1cncn1)Nc1cnc(C#N)cn1 1099147435 QGFPAYUAHGCPKH-SNVBAGLBSA-N 300.326 -0.053 30 20 DBED C[C@H](CCNC(=O)Cn1ncnn1)Nc1ccc(C#N)cn1 1099552577 AOZPQCVTVMBBJL-SNVBAGLBSA-N 300.326 -0.053 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)C2CC(C)(C)C2)[C@H](O)C1 1099801823 KQLNBHSFHHRPJA-ZIAGYGMSSA-N 321.421 -0.277 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)c2cnnn2C)[C@H](O)C1 1099802685 ZRVYZRXDFUXBGZ-DGCLKSJQSA-N 309.370 -0.817 30 20 DBED Cn1cnnc1CN1CC[C@@H](NC(=O)C#CC2CC2)[C@H](O)C1 1099824300 RNSNFDLHRVBRTC-CHWSQXEVSA-N 303.366 -0.720 30 20 DBED C#CCN1CC[C@@H](NC(=O)CS(=O)(=O)C(C)(C)C)[C@@H](O)C1 1100077177 YJKMFIIDNSGWTB-NEPJUHHUSA-N 316.423 -0.616 30 20 DBED C#CCCN1CC[C@H](NC(=O)CNC(=O)C2CCC2)[C@H](O)C1 1100125034 QZJCQWPUJBVPBQ-UONOGXRCSA-N 307.394 -0.523 30 20 DBED Cc1cc(C#N)nc(N(C)CCNC(=O)c2c[nH]c(=O)cn2)n1 1100290649 FZJHEEYDHSSBCV-UHFFFAOYSA-N 313.321 -0.394 30 20 DBED CCN(CCNC(=O)[C@H]1CNC(=O)N1)c1ncc(C#N)cc1F 1100698801 MHNQIMPJNCONIL-LLVKDONJSA-N 320.328 -0.284 30 20 DBED CCO[C@H](C)C(=O)N1C[C@H]2CN(CC(=O)NCC#N)C[C@@]2(C)C1 1101137825 PJZAGBTYFJKRSB-IOASZLSFSA-N 322.409 -0.169 30 20 DBED C[C@H](NC(N)=O)C(=O)N(C)[C@H]1CCN(c2ccc(C#N)nn2)C1 1102697689 LVYWJRPYZABABO-ONGXEEELSA-N 317.353 -0.558 30 20 DBED CC[C@H](CNC(=O)[C@@H]1COCCO1)N=c1cc[nH]c(C#N)n1 1103010685 MWUCMNAYXNLANU-MNOVXSKESA-N 305.338 -0.508 30 20 DBED Cc1cc(=NC[C@H](C)CNC(=O)[C@H]2C[C@H]2C(N)=O)c(C#N)c[nH]1 1104210220 JXCIUUCNRNXNSF-BIMULSAOSA-N 315.377 -0.031 30 20 DBED C#CCNCC[C@@H]1CN(C(=O)[C@@H](C)NC(=O)COC)C[C@H]1C 1104227071 LCTRUJHIBVMSJL-MGPQQGTHSA-N 309.410 -0.155 30 20 DBED C[C@@H](CNc1cncc(C#N)n1)N(C)C(=O)[C@H]1CNC(=O)N1 1104784337 DZSHHWWCSBXNET-WCBMZHEXSA-N 303.326 -0.712 30 20 DBED C#CCCCC(=O)N1CC(n2cc(CN[C@@H](C)C(N)=O)nn2)C1 1105225455 SVSRFEBOAALIOG-NSHDSACASA-N 318.381 -0.572 30 20 DBED C[C@@H](C(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1)n1cccn1 1105767968 VJCYSDWEXDYFRT-WDEREUQCSA-N 315.337 -0.883 30 20 DBED CO[C@H](C(=O)NC[C@H](O)CNc1nccnc1C#N)C1CC1 1105833557 NSGDEYXUMZVUCE-PWSUYJOCSA-N 305.338 -0.338 30 20 DBED C[C@@]1(C(=O)NC[C@H](O)CNc2nccnc2C#N)CCOC1 1105939291 NRFUDJLVLHOMDF-QMTHXVAHSA-N 305.338 -0.336 30 20 DBED Cc1ncc(CC(=O)NC[C@@H](O)CN=c2cc[nH]c(C#N)n2)o1 1106004892 ZRYNJUMBFXRJCS-JTQLQIEISA-N 316.321 -0.802 30 20 DBED CNC(=O)NCC(=O)NC[C@H](O)CNc1nc(C)ccc1C#N 1106147687 VIQPMLGUSWAOOM-NSHDSACASA-N 320.353 -0.920 30 20 DBED C[C@@H]1CN(C(=O)CCS(=O)(=O)N(C)C)C[C@H]1CNCC#N 1107023404 LHXMNUDFTKRXJT-VXGBXAGGSA-N 316.427 -0.524 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CNc1ccc(C#N)nn1 1108321271 QHMNCMGWZYDYRJ-JTQLQIEISA-N 300.322 -0.596 30 20 DBED CCOCCC(=O)N1CCN(CC#N)[C@H]2CS(=O)(=O)C[C@H]21 1108463500 PLXAMSXNSNQWAF-NWDGAFQWSA-N 315.395 -0.754 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)[C@@H](OC)C3CC3)CC2=O)C1 1108541348 UMMZMXZRURVVDA-DOMZBBRYSA-N 307.394 -0.001 30 20 DBED C[C@@H](CNc1cncc(C#N)n1)NC(=O)[C@H]1CCS(=O)(=O)C1 1108604517 JEUWPOFKVMUMLO-UWVGGRQHSA-N 323.378 -0.300 30 20 DBED C#CCN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCNC(=O)COC)C2 1108700048 SZXIJFHEGCTWLS-MJBXVCDLSA-N 307.394 -0.259 30 20 DBED C[C@H](CN(C)c1cnc(C#N)cn1)NC(=O)[C@H]1CCC(=O)NC1 1109304509 CIQMVGICVVDJFB-MNOVXSKESA-N 316.365 -0.185 30 20 DBED N#Cc1cccnc1N1C[C@H]2C[C@H]1[C@H]2NC(=O)CCn1cnnn1 1109718790 ZTGNMQCZDPUMNJ-DYEKYZERSA-N 324.348 -0.277 30 20 DBED N#Cc1ccc(NC[C@@H](NC(=O)Cn2cnnn2)C2CC2)cn1 1109775460 KVXGDFKGFQAJIO-CYBMUJFWSA-N 312.337 -0.053 30 20 DBED C[C@@H](C(=O)NCC1(Nc2ccc(C#N)nn2)CC1)S(C)(=O)=O 1110391110 XKPITZVMFLGSLE-VIFPVBQESA-N 323.378 -0.158 30 20 DBED COC[C@H](OC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1111000295 FBFXRVHMIRRNSD-NDBYEHHHSA-N 324.381 -0.991 30 20 DBED N#Cc1nccnc1N1CC[C@@](O)(CNC(=O)c2cocn2)C1 1111039610 LESZURFJPFZIJE-CQSZACIVSA-N 314.305 -0.293 30 20 DBED Cc1cc(C(=O)N2CCN(CC(=O)NCC#N)CC2)ncn1 1112769669 RYOXQUFPMMBACT-UHFFFAOYSA-N 302.338 -0.817 30 20 DBED C[C@H](Nc1cnc(C#N)cn1)[C@@H](C)NC(=O)Cn1cnnc1O 1112978009 JCKUGSKRARXGFO-DTWKUNHWSA-N 316.325 -0.349 30 20 DBED C[C@H](CNC(=O)Cc1nc[nH]n1)N(C)c1cnc(C#N)cn1 1113714274 KKXAFMWSZHWSKX-SECBINFHSA-N 300.326 -0.350 30 20 DBED C[C@H](CNC(=O)[C@]1(C)CNC(=O)C1)N(C)c1ccnc(C#N)n1 1113783490 HVMUSLOOZQPFPS-BMIGLBTASA-N 316.365 -0.185 30 20 DBED CCOCC(=O)NC1[C@@H]2CN(CC(=O)N(CC)CCC#N)C[C@@H]12 1113818425 BQJAELQUHDLYHC-CHWSQXEVSA-N 322.409 -0.169 30 20 DBED C[C@H](CNC(=O)c1c[nH]c(=O)cn1)N(C)c1ccnc(C#N)n1 1113849474 NANAORKYJPTOGU-SECBINFHSA-N 313.321 -0.314 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3cc[nH]c3C)[C@H]2C1 1114109279 TUWHQMANUUGNHX-NHAGDIPZSA-N 300.362 -0.267 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@H]1[C@@H]2CN(CCN3CCCC3=O)C[C@@H]21 1114189231 LCOWMHJTGQZKPD-IXKJSCDLSA-N 321.421 -0.018 30 20 DBED CNC(=O)NC(=O)CN1C[C@@H]2C(NC(=O)C#CC(C)(C)C)[C@H]2C1 1114256301 YAPLUHATRCGSPF-QWRGUYRKSA-N 320.393 -0.462 30 20 DBED C#CCOCCC(=O)NC1[C@@H]2CN(CC(=O)N(C)C3CC3)C[C@@H]12 1114262746 IXZZHACYPDRTDV-ZIAGYGMSSA-N 319.405 -0.307 30 20 DBED C#CCO[C@H](C)C(=O)NC1[C@@H]2CN(Cc3nncn3C)C[C@@H]12 1114270422 FEBPWPCMZLKENE-IJLUTSLNSA-N 303.366 -0.600 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)c3ccsn3)[C@@H]2C1 1114450317 ZHMKDNXGBOFRDG-HBNTYKKESA-N 318.402 -0.059 30 20 DBED C=C(C)CN1C[C@H]2C(NC(=O)CS(=O)(=O)CCOC)[C@@H]2C1 1114480486 OZPQIXXCGOZSQY-VXGBXAGGSA-N 316.423 -0.330 30 20 DBED Cc1cocc1C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1114690303 XRHFDNSARJLQQW-YABSGUDNSA-N 302.334 -0.112 30 20 DBED N#CCNC(=O)CN1C[C@@H]2C(NC(=O)C3(CF)CCC3)[C@H]2C1 1114865048 OJNGWGUDYYBVJF-QWRGUYRKSA-N 308.357 -0.188 30 20 DBED C=C(C)CCN1C[C@H]2[C@H](NC(=O)[C@H](C)NS(C)(=O)=O)[C@H]2C1 1114888389 GGXISIRSUUSGIE-WUHRBBMRSA-N 315.439 -0.063 30 20 DBED N#Cc1cncc(N[C@@H](CO)CNC(=O)COCC2CC2)n1 1121092118 JDLFQYGWCHNQIL-GFCCVEGCSA-N 305.338 -0.336 30 20 DBED CCn1cnc2c(N[C@H](CO)CNC(=O)[C@@H](C)C#N)ncnc21 1121212609 IEILHJITIARYHL-UWVGGRQHSA-N 317.353 -0.105 30 20 DBED N#Cc1cccnc1N[C@@H](CO)CNC(=O)[C@@H]1CCNC(=O)C1 1121310701 LDRWKAJQIKBXDC-ZYHUDNBSSA-N 317.349 -0.632 30 20 DBED Cc1nc(N[C@H](CO)CNC(=O)[C@H]2COC(=O)N2)ccc1C#N 1121385615 IDWFJEFQNBMVMU-WDEREUQCSA-N 319.321 -0.741 30 20 DBED Cn1ccc(C(=O)NC[C@@H](CO)Nc2ccc(C#N)cn2)n1 1121581977 UFSMOCNBJKKEJJ-NSHDSACASA-N 300.322 -0.110 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H](CO)Nc1ncnc2[nH]cnc12 1122035931 JYBOWJUKSCKOEF-UWVGGRQHSA-N 318.337 -0.720 30 20 DBED Cc1ccc(C#N)c(N[C@H](CO)CNC(=O)C(C)(C)C(N)=O)n1 1122198236 PRVUATXFQRUMNU-NSHDSACASA-N 319.365 -0.338 30 20 DBED CNC(=O)CC(=O)N1C[C@H](N=c2cc[nH]c(C#N)n2)C[C@@H]1C 1123202127 HYVHFOJYYAPZFW-VHSXEESVSA-N 302.338 -0.692 30 20 DBED CS(=O)(=O)CC(=O)NCCNCc1ccc(C#N)s1 1124362417 LLNCLNXMSPWNIO-UHFFFAOYSA-N 301.393 -0.130 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]cc1C#N)C(=O)[C@@]1(F)CCOC1 1124665275 LMSKTYWFZALGBL-SWLSCSKDSA-N 322.340 -0.265 30 20 DBED COC[C@H](C)C(=O)N(C)C[C@@H](O)CN(C)c1cnc(C#N)cn1 1124988339 IYBZVNZUPWMFIR-AAEUAGOBSA-N 321.381 -0.114 30 20 DBED CC(=O)NCC(=O)N[C@@H](CN=c1cc[nH]c(C#N)n1)C(C)(C)C 1125746182 ZUBQLONUVSZTJE-NSHDSACASA-N 318.381 -0.151 30 20 DBED CC(C)CN1CCC[C@@H]1C(=O)NCCNCC(=O)NCC#N 1130710802 FOJWWDVWZCOIBU-CYBMUJFWSA-N 309.414 -0.548 30 20 DBED C[C@@H]1CN(C(=O)C2CC2)C[C@@]2(CCN(CC(=O)NCC#N)C2)O1 1131612217 CVXDKVGFZJHCIU-WBMJQRKESA-N 320.393 -0.272 30 20 DBED C=CCCN1C[C@@H](NC(=O)CNC(=O)CNC(C)=O)CC[C@@H]1C 1132131588 GRYPOTYHUNXSMF-JSGCOSHPSA-N 324.425 -0.216 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)CCCC#CC 1132591620 SHGPZPRZJJEOEG-UHFFFAOYSA-N 308.382 -0.102 30 20 DBED C#CCNC[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)CC[C@H]1C 1133186058 NDBLHGXFPWFGJE-VXGBXAGGSA-N 306.366 -0.754 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)C1(CF)CC1 1133631749 DTPOIPUQXABPHT-UHFFFAOYSA-N 300.334 -0.546 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1cc(C(C)C)[nH]n1 1134161779 XOAMCHYBDPPNFH-LLVKDONJSA-N 305.382 -0.010 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1noc2c1CCCC2 1134267120 CLKXUGTWBHEHOZ-UHFFFAOYSA-N 304.350 -0.378 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)NCCNCc1nc(O)n[nH]1 1134817109 NQOFHOVZUDPSDK-SNVBAGLBSA-N 310.358 -0.813 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1n[nH]c2c1C[C@H](C)CC2 1146262542 OWZDMFINUVAIQU-LLVKDONJSA-N 317.393 -0.397 30 20 DBED C=CCNC(=O)NC(=O)CN(CC)[C@H](C)CNC(=O)COC 1151425725 XJLYNCQJKWTMJY-LLVKDONJSA-N 314.386 -0.529 30 20 DBED C#CCO[C@H](C)C(=O)NCCCNCC(=O)Nc1ccon1 1157880525 PZCBGQKWGONDJX-LLVKDONJSA-N 308.338 -0.253 30 20 DBED C=CCn1cc(C(=O)N2CCCC[C@@H]2CN(C)CC(N)=O)nn1 1158578391 TVHORDKBRFDQGF-GFCCVEGCSA-N 320.397 -0.124 30 20 DBED C#CCNC(=O)CC(=O)NCCC1=CCN(CC(=O)NC)CC1 1159891107 GUFFSFKNQOTIMK-UHFFFAOYSA-N 320.393 -0.990 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)[C@H]1OCCO[C@H]1C 1160249771 SPXPJCLCCDEXEP-AGIUHOORSA-N 313.398 -0.423 30 20 DBED N#CCNC(=O)CNCCCNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 1160326127 KBNFJKLFMFJFGD-GHMZBOCLSA-N 304.354 -0.751 30 20 DBED CC#CCN1CCC(CNC(=O)[C@H]2COC(=O)N2)(COC)CC1 1162242277 POSUZWOXXPWCHQ-CYBMUJFWSA-N 323.393 -0.037 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)c1coc(OC)n1 1163395464 DHARJHSRUXQUEM-SNVBAGLBSA-N 308.338 -0.469 30 20 DBED C=CCCN[C@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)[C@H]1C 1180143142 IWVXDSCKPNRJOV-SDDRHHMPSA-N 301.412 -0.167 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)C[C@](C)(O)C2CC2)C1 1189696525 ZNAAJJAWYIGFEB-YOEHRIQHSA-N 321.421 -0.180 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)CC(F)(F)F)C1 1191492352 PDRHBKPVWMGLMT-OPRDCNLKSA-N 321.299 -0.762 30 20 DBED C=CCOCCCC(=O)N[C@@H]1CN(Cc2cn(C)nn2)C[C@H]1O 1192054083 KLEQQUPUPOTMEJ-ZIAGYGMSSA-N 323.397 -0.541 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(Cc2ccn(C)n2)C[C@H]1O 1192531415 VUZGCDZVGNESDK-UMVBOHGHSA-N 308.382 -0.592 30 20 DBED C=CCOCC(=O)N1CCCN([C@@H](C)C(=O)NC(N)=O)CC1 1195283724 HHNHDKIUTPWUGJ-NSHDSACASA-N 312.370 -0.693 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)COc2cnn(C)c2)C1 1195647158 DQPGKZAXFLHTMV-ZIAGYGMSSA-N 324.381 -0.837 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCCN(C(=O)Cc2cnoc2)CC1 1196895096 GJKZZSLFIOFSCI-CYBMUJFWSA-N 318.377 -0.111 30 20 DBED CCN(CC)S(=O)(=O)CC(=O)N1CCCN(CC#N)CC1 1197308877 SGIZECVAELHSQA-UHFFFAOYSA-N 316.427 -0.284 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(CC(=O)NC2CC2)C[C@H]1O 1199311754 BQZMRGNEDGXROH-RAIGVLPGSA-N 311.382 -0.983 30 20 DBED N#CCNC(=O)CNC1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 1199986318 FVPHBKYAJZEQKK-UHFFFAOYSA-N 314.349 -0.280 30 20 DBED C#CCOCCC(=O)N1CCC(NCc2nnn(C)n2)CC1 1200513291 DOOYLMUPNJWQHN-UHFFFAOYSA-N 306.370 -0.669 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CN[C@@H](C)C(=O)NC(N)=O)CC1 1204811122 GBCTVTGRXNNCLD-UWVGGRQHSA-N 309.370 -0.442 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)COCC2CC2)[C@H](C)C1 1206196968 JBBVZOVDDSBFKE-TZMCWYRMSA-N 307.394 -0.401 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCN(C(=O)C[C@@H]2CCCO2)C1 1207453246 ZCQZOZWPCSQLMS-OLZOCXBDSA-N 308.382 -0.224 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)CN(C)C2CCC2)[C@H](C)C1 1207568059 MPEJZCRVVDURSR-UKRRQHHQSA-N 320.437 -0.343 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)c2cncnc2)C1 1207871971 HFPDZDQICPOHRD-ZDUSSCGKSA-N 301.350 -0.580 30 20 DBED CC#CCN[C@H]1CCCN(C(=O)[C@@H](C)NS(=O)(=O)CC)C1 1208109458 HWWSTUPCCLSRBH-OLZOCXBDSA-N 315.439 -0.082 30 20 DBED COCC#CCN1C[C@@H](NC(=O)[C@@H]2CN(C)C(=O)N2)[C@H](C)C1 1208298346 KKSFHLGBPPVXFM-UPJWGTAASA-N 308.382 -0.904 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCC[C@H](NCC(=O)N(C)C)C1 1208352323 BKTZCEGNFQDJIK-GJZGRUSLSA-N 320.437 -0.247 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)c2c[nH]nc2CC)C1 1208474492 MCKZIFOGRQSIHM-LBPRGKRZSA-N 317.393 -0.084 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)c2ccncn2)[C@H](OC)C1 1213602436 KSEGJEFCVASPLL-CHWSQXEVSA-N 319.365 -0.792 30 20 DBED CO[C@@H](C(=O)N1C[C@@H](NCC(=O)NCC#N)[C@H](C)C1)C1CCC1 1215249874 VTEIBTLMUFWWFY-UXIGCNINSA-N 322.409 -0.122 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)c2cccs2)C1 1219123197 VCBQHHSMTCEJCB-TUAOUCFPSA-N 321.402 -0.339 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)[C@@H](C)n2cccn2)C1 1219216020 AXCJEGAZGXZVLU-MCIONIFRSA-N 306.366 -0.745 30 20 DBED Cc1ncoc1CN1C[C@H](O)[C@H](NC(=O)CSCC#N)C1 1219218374 NYTZLHJISWDTSF-MNOVXSKESA-N 310.379 -0.099 30 20 DBED C=CCC[C@@H](C)N1C[C@H](O)[C@H](NC(=O)CCNC(=O)NC)C1 1219571524 UMHRTMMYAPQJDB-UPJWGTAASA-N 312.414 -0.179 30 20 DBED CCc1nnc(CN2C[C@H](O)[C@H](NC(=O)C#CC(C)C)C2)n1C 1219581187 JLUFGZJLDQIZAW-OLZOCXBDSA-N 319.409 -0.302 30 20 DBED C#CCC1(C(=O)N[C@@H]2CN(CC#CCOC)C[C@@H]2O)CCC1 1219785502 QDBMYTFGANFYJV-CABCVRRESA-N 304.390 -0.009 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)c2ccc(O)nc2)C1 1220889610 GJBMIRKNTIDTMI-OLZOCXBDSA-N 307.350 -0.235 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H]1CN(CCn2cccn2)C[C@@H]1O 1221146020 SHZYNWQMNWGLBF-MCIONIFRSA-N 308.382 -0.365 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@H]2CCN(Cc3cnnn3C)C[C@H]21 1221539376 XMMZCKBUZPRQJX-UMVBOHGHSA-N 317.393 -0.114 30 20 DBED COCC#CCN1CC[C@@H]2CCN(C(=O)[C@H](C)NC(N)=O)C[C@@H]21 1222593918 DDFWVUSYVQTZDW-MJBXVCDLSA-N 322.409 -0.384 30 20 DBED COCC#CCN1CC[C@@H]2CCN(C(=O)[C@@H]3CCNC3=O)C[C@@H]21 1223253305 ZKFAYLUEAXUONY-KFWWJZLASA-N 319.405 -0.305 30 20 DBED CC(F)(F)C(=O)NCC[C@H]1CN(CC#N)CCS1(=O)=O 1230406389 MBECSOADKMQSKJ-VIFPVBQESA-N 309.338 -0.230 30 20 DBED C#CCN1CCS(=O)(=O)[C@@H](CCNC(=O)[C@H](C)SC)C1 1230422136 HCVDFZAECIDFID-RYUDHWBXSA-N 318.464 -0.024 30 20 DBED CN(C[C@@H]1CCN1CC(=O)NCC#N)C(=O)COCC1CC1 1230866602 RAZZWIDVHHOXHJ-ZDUSSCGKSA-N 308.382 -0.415 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)CCCNC(=O)CN1CCCC1=O 1233783727 FMDSHHLCFLCXLS-CYBMUJFWSA-N 322.409 -0.815 30 20 DBED C#CCNC(=O)CC(=O)N(C)C[C@H]1CCN1Cc1nonc1C 1233808601 CBVPBITZVPCOOA-GFCCVEGCSA-N 319.365 -0.450 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N[C@H]2CCC[C@@H]2CCO)nn1 1261448605 ZVARVPKEQHNGNN-YPMHNXCESA-N 321.381 -0.252 30 20 DBED CC(CO)(CO)NC(=O)C(=O)Nc1cccc(OCC#N)c1 1261513414 UTJRTBALIMEPBR-UHFFFAOYSA-N 307.306 -0.613 30 20 DBED C[C@@H](C#N)CNS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 1318936655 XQROZLTVOHTOSH-ZETCQYMHSA-N 308.319 -0.346 30 20 DBED O=C(CCN/C(O)=C1/N=CC=CC1=O)NC[C@@H](O)C(F)(F)F 1321033718 NORUMINWCWYLLR-OZEWEUHLSA-N 321.255 -0.058 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCN(C(=O)OCC)CC1 1323262120 PCTCUAZXJXDWNM-UHFFFAOYSA-N 311.338 -0.947 30 20 DBED C=CC[C@@H](CC)NC(=O)C(=O)NCCC(=O)N1CCN(C)CC1 1324681948 ZYLLTGWYLJCEAI-CYBMUJFWSA-N 324.425 -0.262 30 20 DBED COC[C@@H]1CN(C(=O)C(=O)N2CC[C@](F)(C#N)C2)C[C@H](C)O1 1325084319 PEHVVPIZYUUGEX-MJVIPROJSA-N 313.329 -0.287 30 20 DBED C[C@H](NC(=O)C(=O)NCC#Cc1ccccc1)C(=O)N(C)C 1325159577 LEFRFSZUCVPBLZ-LBPRGKRZSA-N 301.346 -0.253 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N[C@@H](C)Cn2cccn2)nn1 1326235614 HACSWSVAANOANZ-NSHDSACASA-N 317.353 -0.518 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CCC(C(=O)O)CC2)nn1 1326583799 MXSATLLXAUXCGR-UHFFFAOYSA-N 321.337 -0.597 30 20 DBED C#CCCCCNC(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 1326741878 MOYVPJADZOUPFO-UONOGXRCSA-N 307.394 -0.115 30 20 DBED C=CCn1cc(CNC(=O)NC[C@@H]2CN(C)CCN2C)nn1 1329176062 BUOGQJQFTXHHHE-CYBMUJFWSA-N 307.402 -0.491 30 20 DBED N#CCCN1CCN(C(=O)C(=O)N2CC([C@H]3CCOC3)C2)CC1 1329858983 IZEQYFNKQXLMDT-ZDUSSCGKSA-N 320.393 -0.461 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[C@@H]3CC[C@H](C2)N3)CCO1 1331668870 ORUUZRZKDALDFD-YVECIDJPSA-N 306.366 -0.616 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N[C@@H]1CCS(=O)(=O)[C@@H]1C 1332817404 BNYRTJFGSRAHMJ-GHMZBOCLSA-N 318.395 -0.661 30 20 DBED C=CCOCCNC(=O)C(=O)N1CC[C@@H](OCCOC)C1 1333181635 OBUIDOZIDXLXOR-GFCCVEGCSA-N 300.355 -0.431 30 20 DBED C=CCSCCn1nnnc1N1C[C@H]2C(=O)N(C)C(=O)[C@H]2C1 1336967177 OSXJAKNOKOLKEK-AOOOYVTPSA-N 322.394 -0.357 30 20 DBED C=CCn1c(C(N)=O)nnc1N1CC[C@@H](N2CCCC2=O)C1 1339530245 YVNFTXLFLZDENG-SNVBAGLBSA-N 304.354 -0.236 30 20 DBED CC(C)N1CCC[C@H](CNC(=O)C(=O)N2CCO[C@H](C#N)C2)C1 1345494775 NIMXGWMAQUXOQK-ZIAGYGMSSA-N 322.409 -0.026 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CC[C@H](N)[C@H](CC)C2)nn1 1348950030 AMCYGTQNYHHTLV-YPMHNXCESA-N 320.397 -0.334 30 20 DBED C=CCOCCNC(=O)C(=O)N1CCO[C@@H]([C@@H]2CCCO2)C1 1350029741 SGRXTMXKAVKSBK-QWHCGFSZSA-N 312.366 -0.288 30 20 DBED O=C(NCC#Cc1ccccc1)C(=O)NC[C@H]1COCCN1 1351550444 CVDJXHXRMILHPI-AWEZNQCLSA-N 301.346 -0.741 30 20 DBED C#CC1CCN(c2nnnn2C2CC(NS(C)(=O)=O)C2)CC1 1352479641 RBBPIOFROOPJCS-UHFFFAOYSA-N 324.410 -0.225 30 20 DBED N#Cc1c[nH]nc1NC(=O)CSCC(=O)N1CCOCC1 1362588454 NHDIOIGRIFDNEB-UHFFFAOYSA-N 309.351 -0.188 30 20 DBED CCOC(=O)C1(CNC(=O)Cn2cc(C#N)c(O)nc2=O)CC1 1362666585 YSRLPRRFASZCSM-UHFFFAOYSA-N 320.305 -0.720 30 20 DBED N#Cc1cn(CC(=O)N2CCCCC[C@@H]2CO)c(=O)nc1O 1362966191 AVOPHQOFYFKGOY-LLVKDONJSA-N 306.322 -0.416 30 20 DBED Cc1nn2cccnc2c1S(=O)(=O)N1CC(O)(CC#N)C1 1363885399 VWORXQOAYLARCM-UHFFFAOYSA-N 307.335 -0.313 30 20 DBED CCOC(=O)[C@H](C)N(C)C(=O)Cn1cc(C#N)c(O)nc1=O 1364428231 LFFAFDTVMBMWQO-QMMMGPOBSA-N 308.294 -0.769 30 20 DBED N#C[C@H]1CN(C(=O)NCCS(=O)(=O)N2CCCC2)CCO1 1365441514 YMDYZBJROCALCG-NSHDSACASA-N 316.383 -0.654 30 20 DBED C[C@@H](C#N)C(=O)NC1CCN(C(=O)[C@@H]2CCC(=O)N2C)CC1 1385393876 ROVMENRVEOMQJB-JQWIXIFHSA-N 306.366 -0.126 30 20 DBED C[C@@H](C#N)C(=O)NCC1CN(C(=O)C[C@H]2CCN(C)C2=O)C1 1389923870 QPMBLUABLJPNNM-CMPLNLGQSA-N 306.366 -0.411 30 20 DBED CCn1nc(C(=O)NC2(CNC(=O)[C@H](C)C#N)CC2)ccc1=O 1389955368 JISSEUNAKOKWPO-SNVBAGLBSA-N 317.349 -0.199 30 20 DBED C[C@H](C#N)C(=O)N1CC(NC(=O)CCC(=O)N2CCOCC2)C1 1398708050 UCMLKDCPGQZEOR-LLVKDONJSA-N 322.365 -0.888 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNCc1nnc2n1CCCC2 1401506548 SFOQZNNHALAEFJ-QWRGUYRKSA-N 306.370 -0.659 30 20 DBED N#CCOc1cccc(CC(=O)NC[C@@H](O)Cn2ccnn2)c1 1412215803 NRKBKJZGDOKAFQ-CYBMUJFWSA-N 315.333 -0.100 30 20 DBED COCC(=O)N(C)CC(=O)N(C)C[C@H](C)NC(=O)[C@@H](C)C#N 1412555709 FSKBYRVQTYORQD-QWRGUYRKSA-N 312.370 -0.786 30 20 DBED CCN(CCC#N)C(=O)CN(C)Cc1nnc2n1CCNC2=O 1414036715 UNWBNYRHILQTHU-UHFFFAOYSA-N 319.369 -0.785 30 20 DBED COC(=O)CNC(=O)CNC(=O)Nc1cc(CC#N)ccn1 1414482155 CZHXAISBZXJVCB-UHFFFAOYSA-N 305.294 -0.442 30 20 DBED CCCS(=O)(=O)CC(=O)NC[C@@H](CC)NC(=O)[C@@H](C)C#N 1416232062 RXZUDMKVSCKJQO-WDEREUQCSA-N 317.411 -0.018 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](C)CNC(=O)c1ccc2nnnn2c1 1416481297 YPRKIRMRXFBLLT-ZJUUUORDSA-N 315.337 -0.234 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C)CC(=O)NC(=O)NC1CCCC1 1418449398 UQFLEIZLFWWWTC-NSHDSACASA-N 323.397 -0.038 30 20 DBED COC(=O)C1(C#N)CCN(C[C@@H](O)C[C@]2(O)CCOC2)CC1 1421808361 ICYWDKWMNVFXTG-SWLSCSKDSA-N 312.366 -0.332 30 20 DBED C[C@H](C#N)C(=O)NCc1cc(O)nc(CNC(=O)C2CC2)n1 1429156192 BCNGBVIYQVSOAW-MRVPVSSYSA-N 303.322 -0.016 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1cc(Cl)n(C)n1 1431563791 KQSZFSICZSUDCY-YUMQZZPRSA-N 313.745 -0.560 30 20 DBED COC[C@H](OC)C(=O)N[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 1447021180 HGJSDKGVQZMQBZ-YPMHNXCESA-N 320.349 -0.122 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC[C@H](NC(=O)Cc2ccn(C)n2)C1 1490538795 CVMBPVYKPCUYAV-OCCSQVGLSA-N 319.409 -0.156 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](C)CN(C)C(=O)CCn1cnccc1=O 1510759088 YLMCXGNQLGAZBI-NWDGAFQWSA-N 319.365 -0.244 30 20 DBED CC(=O)NCC(=O)N[C@H]1C[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 1514808941 BVYBZHLPBSGPGO-KLPPZKSPSA-N 317.349 -0.353 30 20 DBED COCCCNC(=O)[C@@H](C#N)C(=O)c1ccoc1CC(N)=O 1515144157 BEORFUGVDWSSLL-JTQLQIEISA-N 307.306 -0.217 30 20 DBED C[C@@H]1CN2CCN1C[C@H]2C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1548647062 ZUYXKTLXBYJJOQ-SNPRPXQTSA-N 303.410 -0.427 30 20 DBED CO[C@@H]1CCCCN(CC(=O)N[C@@H]2CCCN(O)C2=O)C1=O 1552209867 NZYYOOJROATYJK-GHMZBOCLSA-N 313.354 -0.490 30 20 DBED N#Cc1ccc(S(=O)(=O)N2CCC(NCCO)CC2)cn1 1580072243 MDBUJYSSAPWJJL-UHFFFAOYSA-N 310.379 -0.312 30 20 DBED N#Cc1ncc(NC2CCS(=O)(=O)CC2)nc1-c1nn[nH]n1 1581882790 HKMVKSVBNJDYDH-UHFFFAOYSA-N 320.338 -0.483 30 20 DBED COC(=O)C1(C(=O)Cn2c(C)nc(C#N)c2-c2nn[nH]n2)CC1 1591242286 KOTRXBOTXJEDID-UHFFFAOYSA-N 315.293 -0.234 30 20 DBED C[C@@H]1CN(S(=O)(=O)N(C)[C@H](C)CC#N)C[C@@H](C(=O)O)O1 1592222272 TXEPEQIPTFAZLT-BBBLOLIVSA-N 305.356 -0.361 30 20 DBED Cc1nn(CCn2c(C)nc(-c3nn[nH]n3)c2C#N)c(=O)o1 1592436899 GADBLVYWIPSCLV-UHFFFAOYSA-N 301.270 -0.598 30 20 DBED N#CCC(=O)N1CCN(c2ncc(-c3nn[nH]n3)cc2F)CC1 1592671976 UUFUMMXEUMUDDK-UHFFFAOYSA-N 316.300 -0.037 30 20 DBED N#Cc1cn(CCC(=O)NCCCCCC(=O)O)c(=O)nc1O 1594633053 KPSFHRFWQQQWJD-UHFFFAOYSA-N 322.321 -0.028 30 20 DBED C#CCN(CC(=O)O)C(=O)C(=O)Nc1ccn(CCOC)n1 1602679822 WFMDURFCPFRZAJ-UHFFFAOYSA-N 308.294 -0.986 30 20 DBED COC(=O)C1(C(=O)Cn2cnc(C#N)c2-c2nn[nH]n2)CC1 1604915671 FYZKFQPWFWANEW-UHFFFAOYSA-N 301.266 -0.543 30 20 DBED N#Cc1ccccc1OC[C@@H](O)CN1CC[C@@](O)(C(=O)O)C1 1608219109 JUETVRBMGJLYQV-WFASDCNBSA-N 306.318 -0.181 30 20 DBED C[C@H](CCN1CCN(C)CC1)Nc1[nH]c(=O)n(C)c(=O)c1C#N 1650232292 COFSZNFOWDHQQG-LLVKDONJSA-N 320.397 -0.617 30 20 DBED C#CCNC(=O)[C@H](C)N1CC(CNC(=O)[C@@H]2CCCCN2C)C1 1714968479 WGKPUPQTGQBOPQ-ZFWWWQNUSA-N 320.437 -0.343 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)CCCNC(=O)c1ccnc(O)c1 1751960082 FCBHLAVWPZOZSE-GFCCVEGCSA-N 318.377 -0.023 30 20 DBED C=CCNC(=O)CN[C@H]1C[C@@H](NC(=O)c2cccc(O)n2)C1 1752721841 JCKFRKSYZKMUIT-PHIMTYICSA-N 304.350 -0.060 30 20 DBED CC#CCNCCN(C)C(=O)C[C@]1(C)CCS(=O)(=O)N1 1753256705 BMMMINTZVLKIRL-ZDUSSCGKSA-N 301.412 -0.470 30 20 DBED C[C@@H](NCC(=O)NCC#N)C1CCN(C(=O)[C@H]2CCOC2)CC1 1753271955 ZMLFUEXMZWBEED-OCCSQVGLSA-N 322.409 -0.121 30 20 DBED CC(C)N(CCCNC(=O)[C@H]1CCOC1)CC(=O)NCC#N 1753285137 XYFXZZHXCUVNQI-ZDUSSCGKSA-N 310.398 -0.121 30 20 DBED C#CCO[C@@H](C)C(=O)NC1CN([C@H](C)c2nnnn2C2CC2)C1 1753378018 TXLZJAQPAGAOPJ-MNOVXSKESA-N 318.381 -0.092 30 20 DBED C=CCNC(=O)[C@@H](C)N(C)CCN(C)C(=O)[C@@H]1CCC(=O)N1C 1753860897 NRMWAUVFALCEIT-OLZOCXBDSA-N 324.425 -0.312 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)CCOC)CC[C@@H]21 1753887985 ZJORSKUGXOTQFF-KGLIPLIRSA-N 307.394 -0.305 30 20 DBED C=CCN1CC[C@@H](NCC[C@@H](C)NC(=O)c2cn(C)nn2)C1=O 1753962052 IWUQUECHBZEENT-VXGBXAGGSA-N 320.397 -0.300 30 20 DBED C[C@@H]1CN(C(=O)c2ccccn2)C[C@@H]1NCC(=O)NCC#N 1755105444 HEMRUBDOKVKMFJ-YPMHNXCESA-N 301.350 -0.229 30 20 DBED C=CCOCCN1C[C@@H]2C(CNC(=O)[C@H]3CCNC3=O)[C@H]2C1 1755427097 YWZQEOJVMYUNGA-IACUBPJLSA-N 307.394 -0.381 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2cn(C)c(O)n2)[C@@H]1C 1755659955 VUBSAGOWJJLEML-GHMZBOCLSA-N 319.365 -0.932 30 20 DBED C#CCCNC[C@H]1CC[C@H](NC(=O)CN(C)S(C)(=O)=O)C1 1755736150 RSMBANQUICXYAI-STQMWFEESA-N 315.439 -0.224 30 20 DBED C#CCN(C)C[C@H](O)CN(C)C(=O)CCn1cnccc1=O 1755806428 FJDRZYKZPDTKAH-ZDUSSCGKSA-N 306.366 -0.982 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC([C@H](C)NC(=O)CNC(C)=O)C1 1756127855 ORJPTMCKTLAKRP-ZUZCIYMTSA-N 311.382 -0.587 30 20 DBED C=CCOCC(=O)N(C)C[C@@H](O)CNC(=O)c1oncc1C 1756656380 PLVGDDISCHZSJV-NSHDSACASA-N 311.338 -0.265 30 20 DBED CO[C@@H]1CCCN(c2nnc(Cn3cnc(C#N)n3)n2C)C1 1772148961 NAUWHZDKAZSSOL-SNVBAGLBSA-N 302.342 -0.058 30 20 DBED CN1CC(C(=O)N2CC[C@@]3(CN(C(=O)CCC#N)CCO3)C2)C1 1784779836 HCAJCZWIRSZHSC-MRXNPFEDSA-N 320.393 -0.318 30 20 DBED C/C=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1 1839813007 JFZMFBDMBGBSPR-XYBNCVKDSA-N 307.350 -0.067 30 20 DBED C#CCCC(=O)N1CC2(CCCN2C(=O)[C@@H]2CNC(=O)O2)C1 1841650929 SSQLMFGTTAKLMO-NSHDSACASA-N 305.334 -0.288 30 20 DBED CC[C@H](NC(N)=O)C(=O)N1CC2(CCCN2C(=O)CC#N)C1 1842622243 PVGWOYKXTKRCSD-JTQLQIEISA-N 307.354 -0.450 30 20 DBED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)Cc2cc[nH]n2)C1 1845828298 NIPHTINEOCSOMR-UHFFFAOYSA-N 316.317 -0.756 30 20 DBED CCN(C[C@@H](C)C#N)C(=O)CN1CCN(CC(=O)N(C)C)CC1 76648304 RHIJCEPUGXERQV-AWEZNQCLSA-N 323.441 -0.300 30 20 DBED C=C(C)CNC(=O)Cn1cc(Br)c(=O)[nH]c1=O 153073593 XKXHKPQZALZIJJ-UHFFFAOYSA-N 302.128 -0.009 30 20 DBED N#Cc1cccc(NCC(=O)N2CCN(CC(N)=O)CC2)c1 155194591 FFDRTSJWFPCLLM-UHFFFAOYSA-N 301.350 -0.400 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCCC[C@@H]2CN)C1=O 262641684 SFZKMTBXJQOPSA-GHMZBOCLSA-N 322.365 -0.403 30 20 DBED CON(CC1CCOCC1)c1c(C#N)c(=O)n(C)c(=O)n1C 282910405 GGUUOAJFSQLYBH-UHFFFAOYSA-N 308.338 -0.250 30 20 DBED C=C[C@H](CO)NC(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1=O 290997382 KXWPEZLFCXJWSL-ZYHUDNBSSA-N 307.354 -0.238 30 20 DBED COc1ccc(C#N)cc1NC(=O)C(=O)N1CC(=O)N[C@H](C)C1 296345565 WFWKUJOJABIEHI-SECBINFHSA-N 316.317 -0.148 30 20 DBED CC(=O)NCC(=O)NCC(=O)N(CCC#N)Cc1cccnc1 299475133 CVMGQFDVINLSLV-UHFFFAOYSA-N 317.349 -0.424 30 20 DBED CCN1CCC[C@H]1CN/C(N)=N/CC(C)(C)NS(C)(=O)=O 304760560 SNLZNXKBOSFQCG-NSHDSACASA-N 319.475 -0.297 30 20 DBED C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)[C@@H]1CCOC1 329564032 NRCIWGQGFDVTBW-GHMZBOCLSA-N 309.409 -0.220 30 20 DBED Cn1cc(N2CC[C@@H](/N=C(/O)Cn3cnnc3O)C2=O)cn1 329644252 AMXATVOFXNMKPJ-SECBINFHSA-N 305.298 -0.521 30 20 DBED Cn1cc(N2CCN(/C(O)=N/C[C@H]3COCCO3)CC2)cn1 329966944 VHEYCQLXYGYPMY-ZDUSSCGKSA-N 309.370 -0.129 30 20 DBED CC[C@@H](/N=C(/O)N1CC(=O)N(CC)C1)C(=O)N1CCOCC1 330160525 RGCMPWWETAOIRC-LLVKDONJSA-N 312.370 -0.341 30 20 DBED CC/N=C(/O)N1CC[C@H](NC(=O)CNS(=O)(=O)CC)C1 330485567 AXGFOGNTFNVTSY-VIFPVBQESA-N 306.388 -0.950 30 20 DBED N#CCCCS(=O)(=O)N1CCC[C@](O)(Cn2ccnn2)C1 330508916 GZYCXQVKXSIZBJ-LBPRGKRZSA-N 313.383 -0.261 30 20 DBED CCC/N=C(/O)NC(=O)Cn1cc(S(=O)(=O)N(C)C)cn1 330876288 WTUUVTFSSCYZCP-UHFFFAOYSA-N 317.371 -0.426 30 20 DBED CCNC(=O)[C@H](C)/N=C(/O)N[C@@H](CC)C(=O)N1CCOCC1 331171017 FSHPGAWWIGHTKJ-QWRGUYRKSA-N 314.386 -0.348 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CCOC[C@@H]1C[C@H](C)O 336948029 PZWPHMVJVOJTQH-RYUDHWBXSA-N 305.400 -0.062 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1CC[C@H](CN(C)C)C1 336949541 RUTGWJFUZVVDJA-CYBMUJFWSA-N 318.443 -0.023 30 20 DBED CCCCN(CCCO)S(=O)(=O)N1CCO[C@H](C#N)C1 336951103 UJADTLLQWAGQMC-GFCCVEGCSA-N 305.400 -0.060 30 20 DBED COC[C@@](C)(NS(=O)(=O)N(C)[C@H](C)CC#N)C(=O)OC 337889278 GCWRESFBRQMDEI-MWLCHTKSSA-N 307.372 -0.367 30 20 DBED C=CCNC(=O)CNC(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O 347887707 BSAPURANZJIQDG-VXGBXAGGSA-N 321.377 -0.030 30 20 DBED Cn1c(N2CCC(n3cncn3)CC2)c(C#N)c(=O)n(C)c1=O 354121601 YOKRZGDSUPUJFU-UHFFFAOYSA-N 315.337 -0.611 30 20 DBED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCC[C@H](CO)C2)n1 359235475 AXYNICNMJCFNMI-NSHDSACASA-N 319.365 0.505 30 20 DBED Cc1nn(C)c(N2CCN(Cc3nnn(C)n3)CC2)c1C#N 440512273 JZIZRJCOCMUFMA-UHFFFAOYSA-N 301.358 -0.554 30 20 DBED CCOC(=O)N1CCC(NC(=O)CN2CCOC[C@@H]2C#N)CC1 496007229 AOASAJUZASTRMU-ZDUSSCGKSA-N 324.381 -0.052 30 20 DBED N#Cc1ccccc1OC[C@@H](O)CN1CCN(CC(N)=O)CC1 528346491 WELTXPOCCUAFIH-AWEZNQCLSA-N 318.377 -0.599 30 20 DBED CC(C)(C)NS(=O)(=O)CCNS(=O)(=O)CC1(C#N)CC1 545205798 LBCMUYBADPPKRU-UHFFFAOYSA-N 323.440 -0.073 30 20 DBED N#Cc1cc(F)ccc1S(=O)(=O)N[C@H](CC(N)=O)C(=O)O 547872926 RUKCAHNXFZXYOY-MRVPVSSYSA-N 315.282 -0.696 30 20 DBED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCC[C@H](O)C2)c1 562196420 QXDIXTKXZIFYLQ-LBPRGKRZSA-N 323.374 -0.180 30 20 DBED CS(=O)(=O)N1CC[C@@H](NS(=O)(=O)c2ccc(C#N)o2)C1 572125664 FBFIDVZUDDPTSJ-MRVPVSSYSA-N 319.364 -0.537 30 20 DBED CC[C@@H]1CN(S(=O)(=O)N2CCO[C@H](C#N)C2)[C@@H](C)CO1 593641667 IZIZFUBLSMLLNX-QJPTWQEYSA-N 303.384 -0.045 30 20 DBED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N[C@]2(C)CCNC2)n1 596127867 CGRLKKLKGXMTRA-OAHLLOKOSA-N 318.381 0.316 30 20 DBED N#Cc1cc(F)ccc1NC(=O)C(=O)NCCN1CC[C@H](O)C1 600099590 OTXUCUXNHYIJQC-LBPRGKRZSA-N 320.324 -0.181 30 20 DBED C=CCn1cc(C(=O)N2CCCN(CC(=O)NCC)CC2)nn1 648731115 DFFWAUOFIAEDMS-UHFFFAOYSA-N 320.397 -0.252 30 20 DBED C=CCCN(C)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 682416515 QLTKDHBTBAKIKT-UHFFFAOYSA-N 318.443 -0.219 30 20 DBED CNC(=O)CNC(=S)NN=Cc1cc(C(=O)OC)c(C)o1 731928724 GVWWXKVPIYEJAX-UHFFFAOYSA-N 312.351 -0.081 30 20 DBED C#CCOc1ccc(NC(=O)C(=O)N(C)[C@@H]2CCNC2=O)cc1 785294580 WHTYARHDSYEMOM-CYBMUJFWSA-N 315.329 -0.016 30 20 DBED CC#CCS(=O)(=O)NC(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 791110961 IKYHNHRZFFTZBW-SKDRFNHKSA-N 316.404 -0.090 30 20 DBED C#C[C@@H](NC(=O)C(=O)NCc1ccnc(C)n1)[C@@H]1CCCO1 793763671 ZWWQLSQQAJDCAI-OLZOCXBDSA-N 302.334 -0.302 30 20 DBED C#CCNC(=O)[C@@H](C)OC(=O)[C@](C)(O)Cn1c(C)cccc1=O 795774491 XNBVXDAWHWRGLG-MLGOLLRUSA-N 320.345 -0.411 30 20 DBED N#CCCOCCOC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 815215376 SQJXGLLNAYRGDY-WFFHOREQSA-N 322.317 -0.378 30 20 DBED C#CC[C@H](CO)NC(=O)c1ccc2c(c1)[nH]c(=O)c(=O)n2CC 816669103 HEIJHLANPXBNGA-LLVKDONJSA-N 315.329 -0.176 30 20 DBED CON(C)C(=O)CNC(=O)NCCNc1ccc(C#N)cn1 817792673 HSTZWQQRLMNTCE-UHFFFAOYSA-N 306.326 -0.316 30 20 DBED CS(=O)(=O)Nc1cccc(CC(=O)N[C@@H]2CNC[C@H]2C#N)c1 834485360 VPPZXMHCBBFQCN-DGCLKSJQSA-N 322.390 -0.172 30 20 DBED C#CC[C@@H](NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)C(=O)OC 837941103 CPOKBSBMFAYWQI-VXGBXAGGSA-N 309.366 -0.922 30 20 DBED C[C@@H](C(=O)N[C@@H]1CCCN(O)C1=O)n1cnc2c(N)ncnc21 854648411 CSQPBDHMXIMRAL-JGVFFNPUSA-N 319.325 -0.534 30 20 DBED Cc1c(C(=O)NCC#CCN(C)C)nnn1-c1ccn(C)n1 913522498 MEDZNTAUMBPXKW-UHFFFAOYSA-N 301.354 -0.396 30 20 DBED C#CCN1CCC[C@@H](NC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)C1 923575576 JAMOZPZPMDEVLM-HUUCEWRRSA-N 320.437 -0.390 30 20 DBED C#CCN1CCC[C@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)C1 923581706 JNUMUDGPBKPERF-LBPRGKRZSA-N 318.381 -0.806 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)Cn3ncnn3)C[C@H]2C)C1 939988180 CNJVZEGZDUHPRV-VXGBXAGGSA-N 318.381 -0.008 30 20 DBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCCN(C(=O)C(N)=O)CC1 941178593 SJCMWUXYDPKYOT-STQMWFEESA-N 323.393 -0.096 30 20 DBED CO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1NC(=O)c1cnns1 941282443 LLJNMYSPAGCJGD-IWSPIJDZSA-N 309.351 -0.347 30 20 DBED C[C@H](C#N)C(=O)N1CCCN(C(=O)C[C@@H]2CCC(=O)N2)CC1 941589745 BIMQXDDVSONWMV-NEPJUHHUSA-N 306.366 -0.124 30 20 DBED CO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1NC(=O)c1nonc1C 942554342 CZAKIMHSTLXFOL-FXBDTBDDSA-N 307.310 -0.507 30 20 DBED O=C(NC[C@@H]1CN(C(=O)C#CC2CC2)CCO1)[C@@H]1CCCO1 944464546 FFTZGSKSSFWTND-KGLIPLIRSA-N 306.362 -0.078 30 20 DBED N#CCN1CCOC2(CCN(C(=O)[C@H]3CCCNC3=O)CC2)C1 949388688 HSUKCBYITUKCBJ-ZDUSSCGKSA-N 320.393 -0.270 30 20 DBED C=CCn1cc(C(=O)N(CC)C2CN([C@H](C)C(N)=O)C2)nn1 952425566 UBCOJDKJHIMXIR-SNVBAGLBSA-N 306.370 -0.516 30 20 DBED CN(C(=O)c1cc(C#N)c[nH]1)C1CN(C(=O)c2ncn(C)n2)C1 953989737 BVRZZWYANHTMIX-UHFFFAOYSA-N 313.321 -0.389 30 20 DBED C=C(Cl)CN1CCN(C(=O)Cn2nc(C)n(C)c2=O)CC1 957514804 WHAHDKPOJCKJFX-UHFFFAOYSA-N 313.789 -0.213 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2csc(NC(C)=O)n2)C1 958198713 AOEOIGYXZQIXLC-CMPLNLGQSA-N 322.390 -0.243 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2ccnc3[nH]nnc23)C1 958248881 PYVFVGYSMXVDCW-GXSJLCMTSA-N 300.322 -0.991 30 20 DBED Cc1cnn(C)c1C(=O)N(C)[C@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1O 958924626 SOFZPZDQKCRTHB-DLOVCJGASA-N 319.365 -0.468 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cn(C)nn1 960344600 SEDAWJAQBYBGJI-ZMLRMANQSA-N 318.337 -0.973 30 20 DBED CSCC(=O)N1C[C@H](O)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 962388072 NLFFLURRXXAZAP-MNOVXSKESA-N 308.363 -0.449 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)c1cnsn1 964115725 YMOXYQWAGJXPEG-BDAKNGLRSA-N 309.351 -0.345 30 20 DBED Cc1ncc(C(=O)N[C@@H]2COC3(C2)CN(C(=O)[C@@H](C)C#N)C3)[nH]1 965655897 NEAIUJVGMLDYSS-ONGXEEELSA-N 317.349 -0.023 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1COC2(C1)CN(C(C)=O)C2 965741874 YCQLKZARCFQJDK-KBPBESRZSA-N 305.378 -0.410 30 20 DBED Cc1cc(=O)c(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)c[nH]1 970290542 GVXBYTVJDYMGOE-KDDOJWQBSA-N 318.333 -0.856 30 20 DBED C#CCCN1CC([C@H](C)NC(=O)[C@@H]2CN(C(C)=O)CCO2)C1 970826420 QNZTXQAORMPVIK-WFASDCNBSA-N 307.394 -0.307 30 20 DBED CC#CCN1CCO[C@@]2(CCN(C(=O)CN3CCCC3=O)C2)C1 972247602 CZNMRHZWLXRHJF-KRWDZBQOSA-N 319.405 -0.065 30 20 DBED CC(=O)N1CC[C@H](C(=O)N2CC[C@]3(CN(CC#N)CCO3)C2)C1 972657235 YIEDCIULNBGZEK-HOCLYGCPSA-N 320.393 -0.318 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2cnn[nH]2)C1 974263001 JCRVNADQLQLOOM-LOWVWBTDSA-N 316.365 -0.721 30 20 DBED C#CCN1C[C@H]2[C@H](CNC(=O)[C@@H]3CCCN(C(N)=O)C3)[C@H]2C1 978443427 XKPSCBDXGKXMHI-SYQHCUMBSA-N 304.394 -0.296 30 20 DBED C=C(C)CN1C[C@H]2C(CNC(=O)[C@@H]3CC(=O)NC(=O)N3)[C@@H]2C1 978796870 PGMXODBZZHFEIQ-SRVKXCTJSA-N 306.366 -0.545 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](CNC(=O)c2c[nH]c(=O)cn2)C1 983210183 BXTINHMCSJACDI-NXEZZACHSA-N 303.322 -0.492 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@@H]1CCCN(C(=O)C(N)=O)C1 984576853 IMNKRJUENBGCFY-UPJWGTAASA-N 323.393 -0.098 30 20 DBED CN(C[C@@H]1CCN(C(=O)C#CC2CC2)C1)C(=O)[C@H]1COC(=O)N1 987985953 QPEUHUIWCGRNEG-QWHCGFSZSA-N 319.361 -0.185 30 20 DBED C#Cc1ccccc1CC(=O)N1CC(NC(=O)c2cn(C)nn2)C1 991154313 ADRHFCWMVOSFFJ-UHFFFAOYSA-N 323.356 -0.020 30 20 DBED CN1C[C@@H](C(=O)NC2CN(C(=O)C#CC3CC3)C2)CCC1=O 993897133 WLEMOEATHACFJJ-LBPRGKRZSA-N 303.362 -0.405 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)[C@@H]3COC(=O)N3)C2)cn1 997091288 WNCSBENKEYBXIS-LBPRGKRZSA-N 314.301 -0.888 30 20 DBED C=C(C)C(C)(C)C(=O)N1CC(NC(=O)[C@@H]2CN(C)C(=O)N2)C1 997451313 NGGXRFFGMPVEEC-NSHDSACASA-N 308.382 -0.061 30 20 DBED C=CC(C)(C)C(=O)N1CC(NC(=O)CN2C(=O)CNC2=O)C1 1000136547 ISOUUADFHMYKCV-UHFFFAOYSA-N 308.338 -0.923 30 20 DBED C[C@@H](C#N)C(=O)N1CC(CNC(=O)[C@@H]2CCS(=O)(=O)C2)C1 1003183637 WJMLRIWQOGEHDB-GXSJLCMTSA-N 313.379 -0.845 30 20 DBED CC1(C)CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1NC(=O)C(N)=O 1008520138 GMIFWBFMXBGJIC-SNVBAGLBSA-N 303.322 -0.662 30 20 DBED C=CCCN1CCC[C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C1 1009557882 GHSSWMLUMLDSHX-VXGBXAGGSA-N 301.412 -0.165 30 20 DBED C#CCN[C@H]1CCN(C(=O)c2c3n(c(=O)n2C)CCCC3)C1 1019383261 BQPRAQPPIXNAPU-LBPRGKRZSA-N 302.378 -0.040 30 20 DBED N#CCN[C@H]1CCN(C(=O)Cn2nc3n(c2=O)CCCC3)C1 1019618814 OMZDTRVCCRWQDW-NSHDSACASA-N 304.354 -0.905 30 20 DBED C=C(C)CN[C@H]1C[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 1020767702 RNGWVLCLQZJYHM-XYPYZODXSA-N 316.365 -0.116 30 20 DBED C=CCN1CC[C@H](N[C@H]2C[C@@H](NC(=O)Cc3ncc[nH]3)C2)C1=O 1022888304 HGZSDICUFPKZOP-XQQFMLRXSA-N 317.393 -0.024 30 20 DBED CS[C@@H](C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 1023327523 PEVIRRNPDAODJS-XXILOJSOSA-N 322.390 -0.061 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@]23COC[C@@H]2C3)C1 1024074097 JQAPTNQODUMREV-LGSVPQMISA-N 308.378 -0.077 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)C2CCN(C)CC2)C1 1024414442 MXWIKJWQPZHZOH-RAIGVLPGSA-N 308.382 -0.824 30 20 DBED C=CCN1C[C@H]2[C@H](NC(=O)C3CC4(C3)NC(=O)NC4=O)[C@H]2C1 1026101369 UFFGIFOIVNQSIM-NVKKWZCJSA-N 304.350 -0.793 30 20 DBED N#CCN1CCC[C@@H]1CNC(=O)c1cn([C@H]2CCOC2)nn1 1028250938 OKDIRGXDNASRRV-NEPJUHHUSA-N 304.354 -0.043 30 20 DBED C=CCn1cc(C(=O)NC2CN([C@@H](C)C(=O)NC3CC3)C2)nn1 1031068702 DFPAOXBKZMNRBZ-JTQLQIEISA-N 318.381 -0.455 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CC(=O)N(C)C 1032638331 REOGKQYVHXHFIS-FQUUOJAGSA-N 307.394 -0.049 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN([C@H](C)C(=O)NC)C1 1032827188 UEHIWDSVCNCUKV-RDBSUJKOSA-N 306.410 -0.591 30 20 DBED Cn1nnc2ccc(C(=O)NC[C@@H]3CN(CC#N)CCO3)cc21 1035589212 JCZNRLCHBQPSEX-GFCCVEGCSA-N 314.349 -0.078 30 20 DBED C[C@@H]1CN(C(=O)CCn2cc[nH]c(=O)c2=O)CC[C@H]1NCC#N 1036216516 CWVVJKAFSQBAQN-VXGBXAGGSA-N 319.365 -0.723 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2[C@H]3C[C@H]2N(Cc2nc(O)n[nH]2)C3)[nH]1 1037364031 DWQYHKYLWKZOKU-KOLSJAJHSA-N 313.321 -0.287 30 20 DBED N#Cc1ccc(C(=O)NC[C@@H]2CCN2[C@H]2CCC(=O)NC2=O)[nH]1 1038172776 KGKVDWJEZGMOBY-JQWIXIFHSA-N 315.333 -0.504 30 20 DBED Cc1nonc1C(=O)N1CC[C@@](O)(CNC(=O)C#CC(C)C)C1 1039665027 CLYFPZANHVBHLV-OAHLLOKOSA-N 320.349 -0.269 30 20 DBED CC(=O)N[C@@H](C)C(=O)N1CC[C@@](O)(CNC(=O)C#CC2CC2)C1 1039677210 FQFYBBSPOBPSFG-MEDUHNTESA-N 321.377 -0.996 30 20 DBED CC(C)C#CC(=O)N1CC[C@@](O)(CNC(=O)c2cccnn2)C1 1040682295 PFEBLOHUYKUWSV-MRXNPFEDSA-N 316.361 -0.171 30 20 DBED C=CCCCC(=O)NC[C@]1(O)CCN(C(=O)Cc2nc[nH]n2)C1 1040727432 QFTWSYLTYZFMOH-OAHLLOKOSA-N 321.381 -0.217 30 20 DBED Cc1cc(N2C[C@@H](O)[C@H](NC(=O)c3nc[nH]n3)C2)c(C#N)cn1 1041134509 VPLPSTZVNBLSDD-ZYHUDNBSSA-N 313.321 -0.641 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)c2cc(C)n(C)n2)C1 1041952758 WBUJJJKUMGMVDX-UHFFFAOYSA-N 306.366 -0.002 30 20 DBED C=CCN1CC[C@H]2CCN(C(=O)CN3CCOCC3=O)C[C@H]21 1042098975 VJWOWXYKZRHSMR-UONOGXRCSA-N 307.394 -0.046 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)[C@H](OC)C2CC2)C1 1042836520 CMAJOMLFJSAAPZ-CQSZACIVSA-N 308.378 -0.096 30 20 DBED Cc1nc(C)c(C(=O)N2CC(O)(CNC(=O)C#CC(C)C)C2)[nH]1 1042941776 SPEQJVNACQDDNG-UHFFFAOYSA-N 318.377 -0.011 30 20 DBED CCO[C@H](C(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1)C1CC1 1042960450 JTJPXEKUTRENGF-HNNXBMFYSA-N 320.389 -0.096 30 20 DBED C=CCCCC(=O)N1CC(O)(CNC(=O)CCNC(N)=O)C1 1042991814 KBAZEWIWVLAEGH-UHFFFAOYSA-N 312.370 -0.909 30 20 DBED C=C(C)CCC(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@@H]2C(=O)OC)C1 1043310973 IHYXBPZTLXGIQN-NEPJUHHUSA-N 324.377 -0.159 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)C[C@H]2CCNC2=O)C1 1043366401 OMWXTLDNIPSNRU-LLVKDONJSA-N 323.393 -0.586 30 20 DBED CC(C)[C@H](C(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1)N(C)C 1044287500 LXZVMKPKKPTCKS-OAHLLOKOSA-N 321.421 -0.325 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)c2[nH]nnc2C)C1 1044463236 AQHLSMWSFIOSHE-UHFFFAOYSA-N 307.354 -0.372 30 20 DBED Cc1nc(N2C[C@H](O)[C@H](NC(=O)c3cnn[nH]3)C2)ccc1C#N 1044788214 IAENRGYOZJJPGV-NEPJUHHUSA-N 313.321 -0.641 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)[C@@H](F)C(C)C)C1 1044964051 CRBSMOBUTOAFJQ-RYUDHWBXSA-N 314.357 -0.292 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)C23CCCN2CCC3)C1 1045546228 JQNNQDFXFOKFAR-GFCCVEGCSA-N 320.393 -0.536 30 20 DBED N#CCN1CC[C@@H](N2CCN(C(=O)c3ccncn3)CC2)C1 1046071399 JIECCFVWYHXXQJ-CYBMUJFWSA-N 300.366 -0.168 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c(c2)NC(=O)C3)C1 1047390330 DESSNNJKXPRLGI-GJZGRUSLSA-N 313.357 -0.069 30 20 DBED C=CCCN1CCN([C@@H]2CCN(C(=O)[C@@H]3CCNC3=O)C2)CC1 1052059988 VPMJMYWQGJERFA-HUUCEWRRSA-N 320.437 -0.083 30 20 DBED C#CCN1CCN([C@@H]2CCN(C(=O)[C@]3(C)CCC(=O)N3)C2)CC1 1052074193 WGFWBSQRFWHFRK-PBHICJAKSA-N 318.421 -0.493 30 20 DBED Cn1cc(C(=O)NC2[C@@H]3CN(c4ccc(C#N)nn4)C[C@@H]23)nn1 1056197775 GMQRBDKFKOJZMA-NXEZZACHSA-N 310.321 -0.659 30 20 DBED Cn1cnc(C(=O)NC2[C@H]3CN(c4ncccc4C#N)C[C@H]23)n1 1056203269 RLFFUHPIPKLQRO-QWRGUYRKSA-N 309.333 -0.054 30 20 DBED Cc1cc(C(=O)NCCN(CCO)C(=O)C#CC(C)C)cnn1 1057517523 VFDALFZJQZNYCF-UHFFFAOYSA-N 318.377 -0.005 30 20 DBED C=C(C)CCC(=O)N(CCO)CCNC(=O)c1nnn(C)n1 1057807884 VATUCSCUBSOCLH-UHFFFAOYSA-N 310.358 -0.883 30 20 DBED N#Cc1cnc(N2CCC(NC(=O)Cn3cncn3)CC2)cn1 1057870703 AQFDAOWLWXZVSW-UHFFFAOYSA-N 312.337 -0.275 30 20 DBED Cc1ncn(C)c1C(=O)N(CCO)CCNC(=O)[C@H](C)C#N 1057881153 MCOCSWOAYRABNH-SNVBAGLBSA-N 307.354 -0.561 30 20 DBED N#Cc1cncc(N2CCC[C@@H](NC(=O)[C@H]3COC(=O)N3)C2)n1 1058152294 PKTQXBDPKLNGAW-MWLCHTKSSA-N 316.321 -0.458 30 20 DBED Cn1cncc1CC(=O)N(CCO)CCNC(=O)C#CC1CC1 1058159227 BDPBSECCAOJOJX-UHFFFAOYSA-N 318.377 -0.687 30 20 DBED CN1CCOC[C@@H]1C(=O)N[C@@H]1CCN(c2ccc(C#N)nc2)C1 1058318891 IHANBZWMYRGXGS-UKRRQHHQSA-N 315.377 -0.021 30 20 DBED C=C[C@](C)(O)CC(=O)NCCN(CCO)C(=O)c1ccncn1 1058501797 DNOWQSHEEGEACH-HNNXBMFYSA-N 322.365 -0.646 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)C[C@H]1CCCC(=O)N1 1058652859 GUGDXGYJJOHSHS-NWDGAFQWSA-N 324.381 -0.858 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](CCNC(=O)C(F)F)C1 1059502304 ODOWQBLNHJFYAS-SNVBAGLBSA-N 315.320 -0.254 30 20 DBED C=CCOCC(=O)N1CCOC[C@H]1CNC(=O)COCCC 1061392739 XFVRPRDUBLZULF-CYBMUJFWSA-N 314.382 -0.041 30 20 DBED N#Cc1cccnc1N1CCC[C@H]1CNC(=O)[C@@H]1CNC(=O)N1 1061440093 BCAKSANRGDVDPZ-RYUDHWBXSA-N 314.349 -0.280 30 20 DBED C#CCNC(=O)CC(=O)NCC1(NC(=O)[C@H](C)COC)CCC1 1062829517 PZVPZRGILFRGHW-GFCCVEGCSA-N 323.393 -0.437 30 20 DBED Cn1nnc(C(=O)N2CCC[C@@H]2CNc2nccnc2C#N)n1 1063544331 MGQYFJCGYMKVGS-SECBINFHSA-N 313.325 -0.412 30 20 DBED N#Cc1cncc(N2CCC3(CCN(C(=O)C(N)=O)CC3)C2)n1 1063599925 KEMATWIIBQTYIN-UHFFFAOYSA-N 314.349 -0.348 30 20 DBED C#CCOCCC(=O)NC[C@H]1CN(C(=O)[C@H]2CCCO2)CCO1 1064816415 AJEHMRUHEBOWMR-UONOGXRCSA-N 324.377 -0.451 30 20 DBED C=CCCC(=O)N1CCO[C@@H](CNC(=O)Cn2nccn2)C1 1064957178 CTSSKMKZUQKJKA-LBPRGKRZSA-N 307.354 -0.412 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCO[C@@H](CNC(=O)COCC)C1 1065095264 AOTBCBHHHFHRSP-WFASDCNBSA-N 314.382 -0.306 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CCCN(C(=O)C2(NC(N)=O)CC2)CC1 1066475594 QLJPARXHQRYNLT-WDEREUQCSA-N 321.381 -0.156 30 20 DBED C[C@H](C#N)C(=O)N(C)CCCN(C)C(=O)CN1CC(=O)NC1=O 1067927840 IWKUPFYJHVWHFI-SNVBAGLBSA-N 323.353 -0.995 30 20 DBED N#Cc1cccnc1NC[C@H]1C[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 1068572764 DNVMIGZMXSZJIV-YUSALJHKSA-N 314.349 -0.059 30 20 DBED C[C@@H]1C[C@H](Nc2cnc(C#N)cn2)CN1C(=O)CS(C)(=O)=O 1069038983 AHTMQWYUCFMVIG-ZJUUUORDSA-N 323.378 -0.206 30 20 DBED Cc1nnsc1C(=O)N1C[C@H](n2ccnn2)[C@H](NCC#N)C1 1070136131 QXDMNRMIQLEIGU-ZJUUUORDSA-N 318.366 -0.383 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)c2cn(C)nn2)CCOCC1 1070232341 HUXAQHTXBDNYDU-JTQLQIEISA-N 320.353 -0.630 30 20 DBED C=CCOCC(=O)N[C@@H]1CCCN(C(=O)CNC(=O)OC)C1 1070487145 WRMAMRYCYHAYLP-LLVKDONJSA-N 313.354 -0.348 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC[C@@H](NC(=O)[C@@H]2CCC(=O)N2)C1 1070730707 PUUJVYUXGCFTFU-UPJWGTAASA-N 321.377 -0.590 30 20 DBED N#CCN1CCN([C@@H]2CCCN(C(=O)[C@@H]3CCCO3)C2)C(=O)C1 1071253361 KHRDAARLEKNZKY-KGLIPLIRSA-N 320.393 -0.176 30 20 DBED C=CCN1C[C@H](NC(=O)Cn2cnc(C(N)=O)n2)CC[C@@H]1C 1071516750 BGALGCZZGVTNRX-WDEREUQCSA-N 306.370 -0.468 30 20 DBED C#CCCN1C[C@H](NC(=O)CN2CCN(C)C(=O)C2)CC[C@H]1C 1071619785 UKTBYMHAOVLPIS-HUUCEWRRSA-N 320.437 -0.247 30 20 DBED C=CCN1C[C@@H](NC(=O)CN2CCN(C)C(=O)C2)CC[C@@H]1C 1071621935 DSVANJWAYPQFLP-KBPBESRZSA-N 308.426 -0.085 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](NC(=O)CC2CC2)[C@H](C)C1 1071922728 XDZGYBSOGWEAII-DGCLKSJQSA-N 305.378 -0.111 30 20 DBED C=CCN1CCC2(C1)CN(C(=O)C1CC3(C1)NC(=O)NC3=O)C2 1073052340 OBAKWTMQJBYOHG-UHFFFAOYSA-N 318.377 -0.305 30 20 DBED CNC(=O)NCC(=O)N1CC[C@H](NC(=O)[C@H](C)C#N)C(C)(C)C1 1073487518 UHMYQXZIXDPVRU-MNOVXSKESA-N 323.397 -0.182 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CCN(C(=O)C(F)F)C[C@H]1C 1073889995 DGHPIGDWKYMUBQ-ZJUUUORDSA-N 315.320 -0.256 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](NC(=O)c2nc[nH]n2)[C@H](C)C1 1074107886 XGYANJFDNNAAPA-VXGBXAGGSA-N 319.365 -0.189 30 20 DBED C=CCOCC(=O)NCC[C@H](C)NC(=O)C1CS(=O)(=O)C1 1075918865 KECFSWUNVYVKKZ-JTQLQIEISA-N 318.395 -0.755 30 20 DBED C[C@@H](CCNC(=O)c1cnn(C)c1N)NC(=O)CSCC#N 1076237350 IWPSHZXDDLFJIW-VIFPVBQESA-N 324.410 -0.116 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)[C@@H]1CCN(C)C1 1076584980 BVPFBPJTHFKMRG-QWHCGFSZSA-N 322.409 -0.911 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC(=O)N(CC)C2)C1 1077083974 KNJMHRCTKVMKPY-QJPTWQEYSA-N 315.801 -0.231 30 20 DBED C=CCOCC(=O)N[C@@H](C)CCNC(=O)[C@]1(C)CNC(=O)C1 1077452125 KALGGLOUSCSJAH-NHYWBVRUSA-N 311.382 -0.274 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(C[C@@H](C)OC)C[C@H]2O)nc1 1078030124 JILQCIJNUNHHJW-KCPJHIHWSA-N 303.362 -0.127 30 20 DBED C#CCOCCC(=O)N(C)[C@H]1CCCN(C(=O)CC(N)=O)CC1 1078959826 OPYJSRIAJVDGFR-ZDUSSCGKSA-N 323.393 -0.259 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)c2n[nH]c(C)c2O)C[C@H]1O 1081334763 CHTCTPAGOFTQGT-GHMZBOCLSA-N 322.365 -0.061 30 20 DBED Cc1cc(C(=O)N2C[C@H](CNC(=O)C#CC3CC3)[C@@H](O)C2)on1 1081468036 FFFAXZBZLQYQLR-STQMWFEESA-N 317.345 -0.054 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H]1CCCCN1C(=O)[C@@H](C)OC 1081920031 NGTKFPSKYRSNGB-OLZOCXBDSA-N 323.393 -0.342 30 20 DBED Cn1c(=O)oc2c(C(=O)N[C@@H]3CN(CC#N)C[C@@H]3O)cccc21 1083522633 OOXOECQOCHTKCR-PWSUYJOCSA-N 316.317 -0.570 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)c2nc(C)c(C)[nH]c2=O)C1 1083559444 MDQIEURWEWGCOU-NEPJUHHUSA-N 304.350 -0.815 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCN(CC(F)(F)F)C2)C1 1083729601 KVKQNALNFUQUDJ-UTUOFQBUSA-N 319.327 -0.335 30 20 DBED C=CCCn1cc(C(=O)NC[C@H]2C[C@H](N[C@H](C)C(N)=O)C2)nn1 1086501486 CPOOBYJFJXEAHB-IJLUTSLNSA-N 320.397 -0.174 30 20 DBED CC[C@@H]1[C@@H](NC(=O)CN2CCCS2(=O)=O)CCN1CC#N 1087593438 GZVQDBONZCKXPU-NWDGAFQWSA-N 314.411 -0.485 30 20 DBED C#CCN[C@H]1CCCCCN(C(=O)Cn2ccc(O)nc2=O)C1 1088343236 HIAGZTGURYNCSH-ZDUSSCGKSA-N 318.377 -0.057 30 20 DBED C[C@@H](C[C@@H](C)N=c1cc[nH]c(C#N)n1)NC(=O)c1nnn(C)n1 1089452014 WTHDJGDGERLVDS-BDAKNGLRSA-N 315.341 -0.697 30 20 DBED CNC(=O)NCC(=O)N1CC[C@H](Nc2cnc(C#N)cn2)[C@@H]1C 1090246418 VIMAFOJRRZGEHR-ONGXEEELSA-N 317.353 -0.321 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1O 1090408516 TVXOZPOYQXXYQW-JMSVASOKSA-N 317.349 -0.659 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2cc(C)c(C(N)=O)cn2)[C@@H](O)C1 1090571720 BQKDGIHLYSJZPP-OCCSQVGLSA-N 316.361 -0.713 30 20 DBED C#CCN1CC[C@H](NC(=O)c2ccc3oc(O)nc3n2)[C@@H](O)C1 1090721941 JBLGSRTZBJHDEQ-ONGXEEELSA-N 316.317 -0.273 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2c[nH]c(C(N)=O)c2)[C@@H](O)C1 1090813788 WCOQUGISSOSLFK-AAEUAGOBSA-N 304.350 -0.698 30 20 DBED COc1nc(C)cc(N2C[C@H](O)[C@H](NC(=O)C#CC3CC3)C2)n1 1091098888 QOYSAIWQDSHIME-OLZOCXBDSA-N 316.361 -0.127 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@@H]1O 1091150727 WTMCNACMIYIDRN-KGLIPLIRSA-N 314.345 -0.341 30 20 DBED CCOCCC(=O)N[C@@H]1CCN(c2cnc(C#N)cn2)C[C@H]1O 1092154036 QOTFSPQRSZELDE-CHWSQXEVSA-N 319.365 -0.169 30 20 DBED COCCOCC(=O)NCC1CC(N=c2cc[nH]c(C#N)n2)C1 1092208435 DXVNAIVFVXPABG-UHFFFAOYSA-N 319.365 -0.260 30 20 DBED Cn1cc(Cl)c(C(=O)NCCN=c2cc[nH]c(C#N)n2)n1 1093911126 HPGZFZNFBSFTMP-UHFFFAOYSA-N 305.729 -0.001 30 20 DBED Cn1ccnc1COCC(=O)NCCNc1cnc(C#N)cn1 1093961394 YDFHVCPJUGWHFR-UHFFFAOYSA-N 315.337 -0.173 30 20 DBED N#CCN1CC(n2cc(CNC(=O)c3csnn3)nn2)C1 1094308473 SPAHVXZTRAJTFD-UHFFFAOYSA-N 304.339 -0.560 30 20 DBED CC(=O)NC(C)(C)C(=O)N1CC[C@@H](N=c2cc[nH]c(C#N)n2)C1 1095048493 CPZISVAEWYFWFN-LLVKDONJSA-N 316.365 -0.302 30 20 DBED CNC(=O)CC(=O)N1CCC(N=c2cc[nH]cc2C#N)CC1 1095224328 YWHXPJRWPKLPEJ-UHFFFAOYSA-N 301.350 -0.086 30 20 DBED Cc1cc(=N[C@@H](C)CNC(=O)[C@H]2CN(C)CCO2)c(C#N)c[nH]1 1097768011 FSVCOZKNZOXBLL-SWLSCSKDSA-N 317.393 -0.069 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H](C)Nc1cc(C)nc(CO)n1 1097768315 JSNIZIJERHQISX-NSHDSACASA-N 319.365 -0.667 30 20 DBED C[C@@H](CNC(=O)c1ccc(=O)n(C)n1)N=c1cc[nH]c(C#N)n1 1097850972 ITDQTQJBFAQAMI-VIFPVBQESA-N 313.321 -0.906 30 20 DBED CC(C)C[C@H](C(N)=O)C(=O)NC[C@H](C)N=c1cc[nH]c(C#N)n1 1097935501 ZDQSVFDNXKSPRF-WDEREUQCSA-N 318.381 -0.166 30 20 DBED C[C@H](CNC(=O)[C@@H](C)S(C)(=O)=O)Nc1cncc(C#N)n1 1098392724 JCIZDDSTEHZKKP-RKDXNWHRSA-N 311.367 -0.302 30 20 DBED N#Cc1cncc(NC[C@H]2CCN(C(=O)CNC(N)=O)C2)n1 1098501436 YNHINUURZNCONN-SECBINFHSA-N 303.326 -0.723 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)C2(N(C)C)CCC2)[C@@H](O)C1 1099872508 VGTNYLNTLABJRR-CABCVRRESA-N 323.437 -0.328 30 20 DBED CN(CCNC(=O)[C@H]1CCCS1(=O)=O)c1ccc(C#N)nn1 1100135338 OFIJOHCLMZKAGB-LLVKDONJSA-N 323.378 -0.522 30 20 DBED CN(CCNC(=O)Cn1ncn(C)c1=O)c1ncccc1C#N 1100215101 YHLYACMANMOGLE-UHFFFAOYSA-N 315.337 -0.899 30 20 DBED CN1C[C@H](C(=O)NCCN(C)c2ccc(C#N)nn2)CC1=O 1100383872 QCEGLLOHVVGMES-SNVBAGLBSA-N 302.338 -0.621 30 20 DBED CCCN(CCNC(=O)Cn1nccn1)c1cncc(C#N)n1 1101191050 LZFUOKPHJGOCEU-UHFFFAOYSA-N 314.353 -0.027 30 20 DBED C#CCOCCC(=O)N1C[C@H]2CN(CCOCCO)C[C@@]2(C)C1 1101235121 NWVJWHPRJYULMP-WBVHZDCISA-N 324.421 -0.185 30 20 DBED CCCN(CCNC(=O)[C@H]1CNC(=O)N1)c1ccc(C#N)nn1 1101235781 HLBOWFGQQPNWJG-LLVKDONJSA-N 317.353 -0.638 30 20 DBED CN(CCNc1nccnc1C#N)C(=O)[C@@H]1CCCN1C(N)=O 1101673820 FDPTZVUMIYBRGW-NSHDSACASA-N 317.353 -0.238 30 20 DBED C[C@H](CNc1cncc(C#N)n1)N(C)C(=O)Cn1ncnn1 1104689019 RBDPLELTPPBSAA-SECBINFHSA-N 301.314 -0.706 30 20 DBED C=CCNCc1cn(C2CN(C(=O)CCc3nc[nH]n3)C2)nn1 1105205333 PXZGRAURIONXRC-UHFFFAOYSA-N 316.369 -0.312 30 20 DBED COc1cc(C(=O)N2CC(n3cc(CNCC#N)nn3)C2)on1 1105216155 PBFLLRCOMJNOQZ-UHFFFAOYSA-N 317.309 -0.415 30 20 DBED C[C@@H]1CCN(CC(=O)N2CC(n3cc(CNCC#N)nn3)C2)C1 1105326803 GWQAVKBPQUFMGI-GFCCVEGCSA-N 317.397 -0.384 30 20 DBED N#Cc1c(F)cccc1NC[C@@H](O)CNC(=O)[C@H]1CCC(=O)N1 1105749460 BBYLREKVQOBPBW-NOZJJQNGSA-N 320.324 -0.135 30 20 DBED Cc1cc(C#N)nc(NC[C@H](O)CNC(=O)C[C@H]2CCOC2)n1 1105759414 LUNDKSLVTIVUIZ-DGCLKSJQSA-N 319.365 -0.028 30 20 DBED Cn1cc(CC(=O)NC[C@H](O)CNc2ccc(C#N)cn2)cn1 1105783175 WEEOHGSCZKEABP-CYBMUJFWSA-N 314.349 -0.182 30 20 DBED N#Cc1nccnc1NC[C@@H](O)CNC(=O)[C@H]1CCCCO1 1105820019 QFLUNMOCFGFRNO-ZYHUDNBSSA-N 305.338 -0.194 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)CCc2cn[nH]c2)nn1 1106131748 JENFPZKJHBUIIC-LBPRGKRZSA-N 315.337 -0.407 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)[C@H]2CCC(=O)NC2)cn1 1106170680 VNXFACHHHPABLN-GWCFXTLKSA-N 317.349 -0.632 30 20 DBED CCN(CCNc1ccc(C#N)nn1)C(=O)[C@@H]1CNC(=O)N1 1106928090 DYRZPTOAJLLTCP-JTQLQIEISA-N 303.326 -0.710 30 20 DBED C=CCN1CC(n2cc(CNC(=O)COCCN(C)C)nn2)C1 1107229437 JEQXRQDYPKEIKF-UHFFFAOYSA-N 322.413 -0.485 30 20 DBED C[C@H](CNc1ncccc1C#N)NC(=O)Cn1cnnc1O 1107726340 NCMHHAHLNXLLBT-SECBINFHSA-N 301.310 -0.133 30 20 DBED C#CCCN1CCO[C@@](C)(CNC(=O)CN2CCCC2=O)C1 1107729894 RXOZOBIBYLAZHZ-INIZCTEOSA-N 307.394 -0.161 30 20 DBED C[C@H](C#N)C(=O)NC[C@@]1(C)CN(Cc2nncn2C)CCO1 1107819480 PYEUSMONCUYHAL-RISCZKNCSA-N 306.370 -0.318 30 20 DBED C#CCCN1CCO[C@@](C)(CNC(=O)COCCN(C)C)C1 1108342922 KRDKQLVWAOZGSY-INIZCTEOSA-N 311.426 -0.205 30 20 DBED CNC(=O)NCCC(=O)N[C@@H](C)CN=c1cc[nH]cc1C#N 1108362721 WDUPXDNAAQPGKD-JTQLQIEISA-N 304.354 -0.389 30 20 DBED C=CCN1CCO[C@](C)(CNC(=O)Cn2c(O)nnc2O)C1 1108367542 KJOZNBKJVNYWQY-CYBMUJFWSA-N 311.342 -0.918 30 20 DBED C[C@@H](CNc1ncccc1C#N)NC(=O)[C@H]1CCS(=O)(=O)N1 1108391609 IQLLHYCDNFVAQS-GXSJLCMTSA-N 323.378 -0.438 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)[C@H](CC(C)C)C(N)=O)C1 1108445884 VGZXOZWGBCZROC-CZUORRHYSA-N 309.410 -0.026 30 20 DBED C#CCCN1CC(N2C[C@H](NC(=O)COCC3CC3)CC2=O)C1 1108513830 SDOAKOADBPWFKG-CQSZACIVSA-N 319.405 -0.162 30 20 DBED CCOCCCN1CC(N2C[C@H](NC(=O)[C@@H](C)C#N)CC2=O)C1 1108528072 SJNZMSGGMSVUEY-QWHCGFSZSA-N 322.409 -0.026 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)CCCN(C)C)CC2=O)C1 1108566518 LBGRBONZCHHXIU-ZDUSSCGKSA-N 306.410 -0.637 30 20 DBED C[C@H](CN(C)c1ccnc(C#N)n1)NC(=O)[C@H]1CCC(=O)N1 1108863744 OSAAWJAHGASZLG-NXEZZACHSA-N 302.338 -0.432 30 20 DBED C[C@@H](CN(C)c1cnc(C#N)cn1)NC(=O)COCCN(C)C 1109039116 IAUMOYIUYMPHLA-LBPRGKRZSA-N 320.397 -0.133 30 20 DBED C[C@@H](CN(C)c1ccc(C#N)nn1)NC(=O)[C@@H]1CN(C)C(=O)N1 1109194764 VQHKPQCTHYWBBR-ONGXEEELSA-N 317.353 -0.687 30 20 DBED C#CCCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H](C)NS(C)(=O)=O 1109763364 PAIURJGCYSQDLT-RNJOBUHISA-N 313.423 -0.331 30 20 DBED N#Cc1ccc(NC2(CNC(=O)[C@@H]3CCCNC3=O)CC2)nn1 1110257293 KOXYEUGXUKLDTN-LLVKDONJSA-N 314.349 -0.065 30 20 DBED C#CCO[C@H](C)C(=O)N(C)[C@H]1CN(c2nc(C)ns2)C[C@@H]1O 1111190508 FKIHQKOLBINRNI-USWWRNFRSA-N 324.406 -0.107 30 20 DBED C[C@@H](Nc1cnc(C#N)cn1)[C@H]1CCN(C(=O)CNC(N)=O)C1 1111205930 RJRSUJBVOYUNOM-ZJUUUORDSA-N 317.353 -0.335 30 20 DBED Cc1ncc(C(=O)N(CCO)CCNc2cnc(C#N)cn2)[nH]1 1111428015 KNFIBMGRCDLVEN-UHFFFAOYSA-N 315.337 -0.074 30 20 DBED CO[C@H](C)CC(=O)N1CCO[C@H](CN=c2cc[nH]c(C#N)n2)C1 1111937167 HKBSOOFKPLKZIQ-VXGBXAGGSA-N 319.365 -0.166 30 20 DBED CC#CCNC[C@]12CCC[C@H]1CN(C(=O)Cn1cnnn1)C2 1112248253 CANTWWSTRFJYDX-ZFWWWQNUSA-N 302.382 -0.085 30 20 DBED CN1C[C@@H](C(=O)N2C[C@@H]3CCC[C@]3(CNCC#N)C2)NC1=O 1112507761 YMPBWNIYVZBPPJ-HUBLWGQQSA-N 305.382 -0.248 30 20 DBED C#CCOCCC(=O)N1CCN([C@H]2CCN(CC)C2=O)CC1 1112843942 NSTRZWMUGWPGPJ-AWEZNQCLSA-N 307.394 -0.209 30 20 DBED C=CCC[C@H](C)N1CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)CC1 1113405867 HEESZJYVOTYGDD-JSGCOSHPSA-N 324.425 -0.135 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)C[C@@H]2CCN(C)C2)CC1 1113536220 JGIFWULSWBPEAA-CABCVRRESA-N 320.437 -0.390 30 20 DBED COCC#CCN1CCN(C(=O)c2ccc(N(C)C)nn2)CC1 1113548840 QKHMVPNCZUJKIW-UHFFFAOYSA-N 317.393 -0.050 30 20 DBED CCCNC(=O)CCC(=O)N1CCN(CC(=O)NCC#N)CC1 1113556103 DULRDENGFLSTGO-UHFFFAOYSA-N 323.397 -0.923 30 20 DBED C[C@H](CNC(=O)[C@@]1(C)CNC(=O)C1)N(C)c1cncc(C#N)n1 1113783234 CITZCBOSSVLWKE-MEBBXXQBSA-N 316.365 -0.185 30 20 DBED NC(=O)NCC(=O)NC1[C@H]2CN(CC#Cc3ccccc3)C[C@H]12 1113849587 MBRZBQTUGCJJDQ-KBPBESRZSA-N 312.373 -0.247 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)CCCC(C)=O)[C@H]2C1 1113859290 CFPDJKCNKGTTFH-VIKVFOODSA-N 305.378 -0.459 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)C(=O)NCC(F)F)[C@H]2C1 1114506838 BVRBSMDYLHKCDK-IAZYJMLFSA-N 315.320 -0.936 30 20 DBED C=C(C)CN1C[C@@H]2C(NC(=O)CCc3nnc(O)nc3O)[C@H]2C1 1114512817 HCOWEHPXOVIQEF-UWVGGRQHSA-N 319.365 -0.162 30 20 DBED CCC(=O)NCC(=O)N[C@H]1C[C@H](CN=c2cc[nH]c(C#N)n2)C1 1114745136 MSKTVVRUCXQSPX-XYPYZODXSA-N 316.365 -0.397 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3ccc(C#C)cn3)[C@H]2C1 1115139688 IGSLCLAJPZCLLY-HALDLXJZSA-N 322.368 -0.528 30 20 DBED C[C@H](CN(C)C(=O)CCNC(N)=O)N=c1cc[nH]c(C#N)n1 1115727402 LFGFANDDJIWGJM-SECBINFHSA-N 305.342 -0.913 30 20 DBED C#C[C@@H](NC(=O)C(=O)N[C@H]1CC[C@@H](C(=O)OC)C1)[C@@H]1CCCO1 1119864470 FKLWACZAUMYYJC-XQHKEYJVSA-N 322.361 -0.259 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H](CO)Nc1ncccc1C#N 1122034474 APRGAKQAPRECAQ-YPMHNXCESA-N 302.334 -0.119 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)[C@@]2(F)CCOC2)nn1 1122411072 NRDJJLAHXPEYHM-ZWNOBZJWSA-N 309.301 -0.634 30 20 DBED N#Cc1cnc(N[C@@H](CO)CNC(=O)Cc2cnc[nH]2)c(F)c1 1122623742 VMRLGLKDNKCHDW-LLVKDONJSA-N 318.312 -0.053 30 20 DBED CCNC(=O)CC(=O)N1C[C@H](N=c2cc[nH]c(C#N)n2)C[C@@H]1C 1123215420 WBTLZDBKSYGPLJ-WDEREUQCSA-N 316.365 -0.302 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)[C@@H]1CCCN1C 1124208203 VZHDPMSQNLXCQI-RYUDHWBXSA-N 318.381 -0.904 30 20 DBED CN(C[C@H](O)CNc1cnc(C#N)cn1)C(=O)Cn1ccnc1 1124398973 HUNJDKCDYOXLAW-GFCCVEGCSA-N 315.337 -0.524 30 20 DBED CN(C[C@H](O)CNc1cnc(C#N)cn1)C(=O)C(C)(C)C(N)=O 1124554624 OURDGZXNLPWBDL-SNVBAGLBSA-N 320.353 -0.909 30 20 DBED CNC(=O)NCC(=O)N(C)C[C@@H](O)CNc1ccc(C#N)cn1 1124845352 LWLZDCBLFKTOJV-NSHDSACASA-N 320.353 -0.887 30 20 DBED CO[C@H](C)C(=O)N(C)C[C@@H](O)CN(C)c1ccnc(C#N)n1 1124957975 OZINBIPDRQHQDT-MNOVXSKESA-N 307.354 -0.361 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@@H](C)NC(=O)C1CCCC1 1127972731 CNFOZMIJKOLSRQ-GFCCVEGCSA-N 322.409 -0.864 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCNCC(=O)NC1CCCC1 1129770901 NDHMRXIAHJWUBQ-HNNXBMFYSA-N 320.437 -0.151 30 20 DBED C#CCCN[C@@H]1CN(C(=O)CN2CCCC2)C[C@@H]1n1ccnn1 1130125674 ZWGVRLZMJYNOEF-CABCVRRESA-N 316.409 -0.261 30 20 DBED C=CCN1C[C@H]2C[C@H]3CN(C(=O)CCNC(N)=O)C[C@@]3(C1)O2 1131288963 BROFAPIJNVHOQB-YWPYICTPSA-N 308.382 -0.468 30 20 DBED C=CCOCCNCCNC(=O)c1cnc2c(c1)nnn2C 1131459022 NJVLXQQZWNLPAH-UHFFFAOYSA-N 304.354 -0.115 30 20 DBED CC(C)C(=O)N1C[C@@H](C)O[C@]2(CCN(CC(=O)NCC#N)C2)C1 1131628653 IKVNIHLCICTSNI-CJNGLKHVSA-N 322.409 -0.026 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)c1cnco1 1132045033 XWRSSYZCPBYGAV-VIFPVBQESA-N 309.326 -0.606 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)C2(C(N)=O)CC2)CC[C@@H]1C 1132253402 TZHCSXKXCLHMEK-RYUDHWBXSA-N 322.409 -0.477 30 20 DBED CCN(CCC#N)C(=O)CN1C[C@H](NC(=O)C(N)=O)CC[C@H]1C 1132253707 YMTNJAIENQAXEF-VXGBXAGGSA-N 323.397 -0.797 30 20 DBED COc1ccc(CNCCNC(=O)c2nnn(C)n2)cc1C#N 1132523471 KSYQBABMHSLDBT-UHFFFAOYSA-N 315.337 -0.390 30 20 DBED C#Cc1cncc(C(=O)NCCNCCCS(C)(=O)=O)c1 1133597676 WZPCHTZEWWICEB-UHFFFAOYSA-N 309.391 -0.183 30 20 DBED C=CCn1cc(C(=O)NCCNC[C@H]2CCc3ncnn32)nn1 1134973146 FNMYOOKUKKLLCP-LLVKDONJSA-N 316.369 -0.438 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)COCCCOC)C1=O 1147061473 BICGWKKARGTGNO-ZDUSSCGKSA-N 313.398 -0.468 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC2(CCN(CC(=O)NCC#N)C2)C1 1148874259 OSQVXTJHULPLLV-ZDUSSCGKSA-N 320.393 -0.248 30 20 DBED C=CCNC(=O)NC(=O)CN1CCCO[C@@H](CNC(C)=O)C1 1148962909 WYIRSMCOVNPBMM-LBPRGKRZSA-N 312.370 -0.775 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@@](C)(NC(C)=O)C(C)C 1152899089 NGVSOXNJNWYZSV-LRDDRELGSA-N 324.425 -0.619 30 20 DBED C#CCNC(=O)CC(=O)NCCCNCc1ccnc(OC)n1 1156857574 VUROZTOTRNNLIU-UHFFFAOYSA-N 319.365 -0.779 30 20 DBED C#CCN(C)C[C@H]1CCCCN1C(=O)C[C@@H]1CC(=O)NC1=O 1158971163 OXACJWFDAYWGAG-QWHCGFSZSA-N 305.378 -0.015 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)CN1CCC[C@H]1C 1166626875 LIZCLIXSORBKEW-KGLIPLIRSA-N 308.426 -0.296 30 20 DBED CNS(=O)(=O)CC(=O)NCCCNCc1cccc(C#N)c1 1176335404 CUVUDMXDMNADQQ-UHFFFAOYSA-N 324.406 -0.297 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1c(C)cc(O)nc1C 1176676097 RWAFRLAXCNURFJ-UHFFFAOYSA-N 318.377 -0.137 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)Cc2cc[nH]n2)[C@H]1C 1178405855 QFLPNGLQBXCTOL-OBJOEFQTSA-N 317.393 -0.331 30 20 DBED C#CCN[C@H]1CCN(C(=O)[C@H](Cc2cnc[nH]2)NC(C)=O)[C@H]1C 1179481606 KCVHSBWTYPAVQC-CQDKDKBSSA-N 317.393 -0.331 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2ccnn2CC)C1 1182164180 NZICEFABSOEVEC-QWHCGFSZSA-N 317.393 -0.155 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1184425263 UJMKGTSLNOQZSW-ULSDXFBPSA-N 317.389 -0.650 30 20 DBED C[C@H]1CN(C(=O)CN2CCNC(=O)C2)CC[C@@H]1CNCC#N 1184924730 VVXVGHHYSVGGPF-QWHCGFSZSA-N 307.398 -0.984 30 20 DBED N#CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3ccnnc3)[C@@H]2C1 1189219574 YKGRFMIDFWTDSN-QWHCGFSZSA-N 314.349 -0.737 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2n[nH]c(C)c2C)C1 1189447167 BLWKYNNPVAMYGC-ZDUSSCGKSA-N 317.393 -0.078 30 20 DBED COCC#CCN1C[C@@H]2CCN(C(=O)C(=O)NCC3CC3)[C@@H]2C1 1189569700 XMAXLPYROHXGTL-LSDHHAIUSA-N 319.405 -0.305 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2ccc(C)s2)C1 1190676804 RSMHGQHUICXXSP-VXGBXAGGSA-N 321.402 -0.419 30 20 DBED CN(C)CCCC(=O)N1CC[C@@H](N(C)CC(=O)NCC#N)C1 1192008378 WYFYHNCOVMFSNZ-CYBMUJFWSA-N 309.414 -0.499 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)c2c(C)ccn2C)C1 1192437593 FYJQCASPJKHABJ-ZIAGYGMSSA-N 305.378 -0.242 30 20 DBED C=CC(C)(C)CC(=O)N[C@@H]1CN(Cc2nnn(C)n2)C[C@H]1O 1193327643 IRWKKNFCBBBREA-GHMZBOCLSA-N 308.386 -0.526 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2ccnc(C)n2)C1 1194060833 RCIPQWKCDZQLHA-ZDUSSCGKSA-N 315.377 -0.319 30 20 DBED C#CCC1(C(=O)N[C@@H]2CN([C@@H](C)C(N)=O)C[C@H]2O)CCCCC1 1199278211 SCFCKEXFUJLVAW-BFHYXJOUSA-N 321.421 -0.005 30 20 DBED N#CCNC(=O)CNC[C@H]1CN(C(=O)[C@@H]2CCCO2)CCCO1 1199787661 PAOVRLWLCFIHFN-STQMWFEESA-N 324.381 -0.988 30 20 DBED C=CCNC(=O)CNC[C@@H]1CN(C(=O)[C@@H](C)C#N)CCCO1 1200116050 SAPDTDSWGNNINI-QWHCGFSZSA-N 308.382 -0.345 30 20 DBED C#CCNC[C@H]1CN(C(=O)CCCCNC(N)=O)CCCO1 1200919762 FGOPZYZTPIQGAV-ZDUSSCGKSA-N 310.398 -0.335 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)[C@]2(C)CCNC2=O)CCCO1 1201396137 SSMOAQSQHNKLCV-CZUORRHYSA-N 307.394 -0.257 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)CCc2cnn(C)n2)CCCO1 1201420740 OKDXYUXFZLLZMD-OAHLLOKOSA-N 319.409 -0.022 30 20 DBED C=CCn1cc(C(=O)N2CCCO[C@@H](CNCCO)C2)nn1 1201584579 AKAKOWCSFPOZHO-LBPRGKRZSA-N 309.370 -0.723 30 20 DBED N#CCNC(=O)CNCC1CCN(C(=O)c2ncc[nH]2)CC1 1205183489 RPRSHLVLCPTFSI-UHFFFAOYSA-N 304.354 -0.509 30 20 DBED CCS(=O)(=O)NCCN[C@@H]1CCCN(C(=O)[C@H](C)C#N)C1 1207693297 OLRIOBCPDFMOLC-VXGBXAGGSA-N 316.427 -0.334 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCC[C@@H](NCc2nc(O)n[nH]2)C1 1207949509 CHULMMPTQDMHOF-QMTHXVAHSA-N 309.370 -0.082 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC[C@H](NCc2nncn2C)C1 1208018655 SBDBRLVLXLQVFW-OLZOCXBDSA-N 305.382 -0.066 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)CCc2ccon2)C1 1208561196 HONNTYZREVTWDG-CQSZACIVSA-N 318.377 -0.063 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCCN(C(=O)c2[nH]nnc2C)C1 1208910287 PEBNXBFUNTVMAN-NWDGAFQWSA-N 318.381 -0.555 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)Cc2[nH]cnc2C)[C@H](C)C1 1210605601 SNAHIDPJCJTLHB-BXUZGUMPSA-N 317.393 -0.553 30 20 DBED C=CCCN[C@@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@H]1C 1214665826 KTLWVGUGANWPKM-GHMZBOCLSA-N 306.370 -0.610 30 20 DBED Cc1cnc(COCC(=O)N2CCO[C@@H]3CN(CC#N)C[C@@H]32)o1 1218289624 JQSXKKUNVTVTLC-QWHCGFSZSA-N 320.349 -0.065 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)CSC(C)C)C1 1219210076 CQCUKMMSMIBYHD-NEPJUHHUSA-N 315.439 -0.409 30 20 DBED CC(C)n1cc(CN2C[C@H](O)[C@H](NC(=O)C#CC3CC3)C2)nn1 1219591826 WNEMZFBWYOCEKV-CABCVRRESA-N 317.393 -0.066 30 20 DBED C=C(C)C[C@@H](C)C(=O)N[C@@H]1CN(CCS(C)(=O)=O)C[C@@H]1O 1220201047 DTQVUTPRWQFELY-UPJWGTAASA-N 318.439 -0.205 30 20 DBED CC(=O)CCCC(=O)N1C[C@H]2CCN(CC(=O)NCC#N)C[C@H]21 1221270055 INZFQIUTLPFHAN-ZIAGYGMSSA-N 320.393 -0.082 30 20 DBED C=CCNC(=O)[C@H](C)N[C@H]1CCCN(C(=O)CCCC(N)=O)C1 1222117705 OUSJGJCRDPGFTN-STQMWFEESA-N 324.425 -0.087 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CCN(C(=O)[C@H](O)C(C)C)C[C@@H]21 1222621896 DFQGISYMEARIFT-IJEWVQPXSA-N 321.421 -0.325 30 20 DBED C=CCN1CC[C@@H](N2CCC(CNC(=O)C(N)=O)CC2)C1=O 1224294001 LPSJHMDMLNVXGT-GFCCVEGCSA-N 308.382 -0.913 30 20 DBED COCC#CCN[C@@H]1CCCC[C@H]1NC(=O)CN1CCOCC1 1225717768 OJCDDTQXLQSOJZ-HZPDHXFCSA-N 323.437 -0.015 30 20 DBED CC#CCN[C@@H]1CCCC[C@H]1NC(=O)CCS(=O)(=O)NC 1226206848 ZJBYYFOVWCSSGS-CHWSQXEVSA-N 315.439 -0.034 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)c2ccn(C)c2)CC1 1226852534 YCHLUNYSOWLMDR-UHFFFAOYSA-N 302.378 -0.031 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)[C@H]2COCCN2C)CC1 1226906081 MDXREHFSWSDLLM-CQSZACIVSA-N 324.425 -0.800 30 20 DBED C#CCNC(=O)CC(=O)NC1CCN(CC(=O)NCCC)CC1 1226961991 VVFKJPIULUVTFE-UHFFFAOYSA-N 322.409 -0.767 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)[C@@H]2C[C@@H](C)CO2)CC1 1228360943 LYGYHIOTDGWEIY-OCCSQVGLSA-N 307.394 -0.259 30 20 DBED NC(=O)COc1ccc(C=NN[C@@H]2CCS(=O)(=O)C2)cc1 1317719945 DNAXIWNJSXKKPW-LLVKDONJSA-N 311.363 -0.339 30 20 DBED C=CCCOCCNC(=O)C(=O)Nc1cnn(CC(N)=O)c1 1319509246 YCYRGELTYJYLRA-UHFFFAOYSA-N 309.326 -0.984 30 20 DBED N#CCNC(=O)CN(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1319649362 RIQDBGLGBZBIBS-NWDGAFQWSA-N 315.395 -0.706 30 20 DBED CN1C(=O)CN(NC(=O)C(=O)Nc2ccc(C#N)cc2)C1=O 1320923958 WWOBAUOBWVCCFM-UHFFFAOYSA-N 301.262 -0.578 30 20 DBED C=CC[C@@H](NC(=O)Cn1[nH]cc2c(=O)ncnc1-2)C(=O)OCC 1321050024 ZSRNVELWUDKBRZ-SNVBAGLBSA-N 319.321 -0.305 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)NCCNc1ccc(C#N)cn1 1323526956 BMVIXYUBRNNNDY-GFCCVEGCSA-N 317.349 -0.201 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)N2CCO[C@@H](C(F)(F)F)C2)CCO1 1325775281 HWQKNKGDXUWFDR-DTWKUNHWSA-N 321.255 -0.473 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)NCCNC(=O)C(C)C 1331114406 HDHABDVITWYTMJ-LBPRGKRZSA-N 311.382 -0.581 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCCN2)CCN1C1CC1 1333613497 DOMWTULABGXDKU-WCQYABFASA-N 305.382 -0.947 30 20 DBED CCOC(=O)[C@@H](C)CNC(=O)Cn1cc(C#N)c(O)nc1=O 1362399791 WQYRLGQWRQNTLG-QMMMGPOBSA-N 308.294 -0.864 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@@H]1CCN(C(=O)c2cc(C(N)=O)c[nH]2)C1 1372091779 KUHOHZKBEMYRFM-GXSJLCMTSA-N 317.349 -0.054 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](NC(=O)CCCS(C)(=O)=O)C1 1372294022 OKCLZKWNOIHDNH-MNOVXSKESA-N 315.395 -0.312 30 20 DBED C=C(Cl)CN1CC(O)(CNC(=O)[C@@H](C)NC(=O)CC)C1 1376174026 MGMVJBMXDSMYCJ-SNVBAGLBSA-N 303.790 -0.184 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CCN(C(=O)c2ccn3nnnc3c2)C1 1385200310 WXGHDRTZOCHAFE-GXSJLCMTSA-N 313.321 -0.385 30 20 DBED CNC(=O)CCCC(=O)N(C)CCNC(=O)c1cc(C#N)c[nH]1 1386839310 KHKBWWXMDVDSMC-UHFFFAOYSA-N 319.365 -0.009 30 20 DBED C[C@@H](CNC(=O)CCn1cnccc1=O)NC(=O)[C@H](C)C#N 1393044817 GJRGGBFSEPDRMY-MNOVXSKESA-N 305.338 -0.586 30 20 DBED C[C@@H](CN(C)C(=O)c1cc(C#N)c[nH]1)NC(=O)[C@H]1COCCO1 1395556396 XTELUIWROMWACT-GXFFZTMASA-N 320.349 -0.122 30 20 DBED CCN(CCNC(=O)[C@@H](C)S(C)(=O)=O)C(=O)[C@H](C)C#N 1398105804 PYQZDMLUTFEPQO-NXEZZACHSA-N 303.384 -0.456 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CCNC(=O)Cn2ncnn2)CC1 1399221701 SDIWXZVUKWCWMT-LLVKDONJSA-N 319.369 -0.422 30 20 DBED C[C@H](CNC(=O)[C@H](C)C#N)NC(=O)COCc1nncn1C 1400070758 JJUZEMFHKVQJAC-NXEZZACHSA-N 308.342 -0.888 30 20 DBED CC(C)N(C(=O)CN1CC(O)(CNC(=O)[C@H](C)C#N)C1)C(C)C 1402326206 WJCYLGVVAMNSLA-CYBMUJFWSA-N 324.425 -0.046 30 20 DBED C=C(Cl)CN1CC(CNC(=O)CCCS(N)(=O)=O)C1 1404911121 XEQYUOWADNDYLT-UHFFFAOYSA-N 309.819 -0.144 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CCCN(C(=O)CCn2ccnn2)C1 1414714163 AQPDPOKOAMKGCT-NEPJUHHUSA-N 304.354 -0.065 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1ncc(F)cc1F 1416769573 OBMUMKBPFHPBFR-IONNQARKSA-N 312.276 -0.274 30 20 DBED N#Cc1ccccc1CN1CC(CNC(=O)Cn2ncnn2)C1 1419020666 NHKMEGIVGDGUJI-UHFFFAOYSA-N 311.349 -0.207 30 20 DBED C[C@@H](O)CNCC1(O)CCN(C(=O)c2cc(C#N)c[nH]2)CC1 1422100266 SAAOIXHMQQFPHW-LLVKDONJSA-N 306.366 -0.176 30 20 DBED CN1CCC[C@@H](N(C)C(=O)Cn2cc(C#N)c(O)nc2=O)C1 1445034021 RQMLPORVLPLXAX-LLVKDONJSA-N 305.338 -0.627 30 20 DBED CCN(CCNC(=O)[C@H]1C[C@H]1C(N)=O)C(=O)c1ccc(C#N)[nH]1 1449535618 LDILIBJITDAYAP-MNOVXSKESA-N 317.349 -0.414 30 20 DBED CCOC(=O)N1CSC[C@@H]1C(=O)NCCn1cnc(C#N)n1 1459891273 RZDMBKFIMKLGBT-SECBINFHSA-N 324.366 -0.203 30 20 DBED N#Cc1cncc(S(=O)(=O)N2CCCN(C(N)=O)CC2)c1 1474912392 NDDNBWUXIFWEFL-UHFFFAOYSA-N 309.351 -0.272 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@H]1CCN(CCN2CCNC2=O)C1 1481687750 YBBNJFDLCRBHAK-SWLSCSKDSA-N 310.398 -0.471 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNCc1cn(C(C)(C)C)nn1 1482717008 VKUKWGKJZPGWOS-CMPLNLGQSA-N 308.386 -0.241 30 20 DBED Cc1ccnc2nc(C(=O)NC[C@H](C)NC(=O)[C@@H](C)C#N)nn12 1495089299 CZCXNNFMQUSTQA-IUCAKERBSA-N 315.337 -0.173 30 20 DBED COCCNC(=O)[C@@H](C#N)C(=O)C1CCN(C(=O)N(C)C)CC1 1516660526 ZJGRIUOZWSUXSU-LBPRGKRZSA-N 324.381 -0.149 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)CCCn1ccnc1 1533290910 ZOFVUQXFXUESBE-NWDGAFQWSA-N 307.354 -0.584 30 20 DBED CNC(=O)[C@@H]1CCCN(c2cnc(C#N)c(-c3nn[nH]n3)n2)C1 1579387218 WVGBKQBXWDZTNB-MRVPVSSYSA-N 313.325 -0.509 30 20 DBED N#Cc1ncc(N2CCCS(=O)(=O)CC2)nc1-c1nn[nH]n1 1581881844 CFHLQSABVZHCGX-UHFFFAOYSA-N 320.338 -0.847 30 20 DBED C#CC[C@H](NS(=O)(=O)N1CCC(C(=O)O)CC1)C(=O)OC 1588388446 AJMOTIQNUBOPKU-JTQLQIEISA-N 318.351 -0.818 30 20 DBED Cc1c(C#N)c(=O)n(CCCC(=O)C(=O)O)c(=O)n1C1CC1 1599974657 WEDGIQIMKQSLNG-UHFFFAOYSA-N 305.290 -0.041 30 20 DBED Cn1ncc(C(=O)O)c1NC(=O)C(=O)N1CCC(C#N)CC1 1601021226 BVMQXXVWSHUDFD-UHFFFAOYSA-N 305.294 -0.181 30 20 DBED C#CCN(CC(=O)O)c1nnnn1C[C@@H]1CCCN(C(C)=O)C1 1602700925 OJWOITODMLJIJL-GFCCVEGCSA-N 320.353 -0.544 30 20 DBED N#Cc1ncn(CCNC(=O)NC[C@@H](O)COCC2CC2)n1 1647194428 OJQIKCSHXVJSQL-LLVKDONJSA-N 308.342 -0.764 30 20 DBED CS(=O)(=O)C[C@H]1CCN(S(=O)(=O)CC2(C#N)CC2)C1 1649815094 JTFQUUMPBSVZMZ-JTQLQIEISA-N 306.409 -0.014 30 20 DBED CC(C)(C#N)C[C@@H](O)CNCC(=O)NCCN1CCOCC1 1650156045 KJJPZCULISEYHD-CYBMUJFWSA-N 312.414 -0.675 30 20 DBED C#CCNC(=O)CN(CC)CCCNC(=O)[C@@]1(F)CCOC1 1752205842 QEWBTMFCDAOLLX-OAHLLOKOSA-N 313.373 -0.307 30 20 DBED C=CCNC(=O)NC(=O)CN[C@H]1CCN(C(=O)COCC)C1 1752548826 GTBMSUHXZIAQST-NSHDSACASA-N 312.370 -0.775 30 20 DBED N#CCNC(=O)CN1CCCC[C@H]1CNC(=O)c1ccncn1 1752824352 VJGWDYKAOKGPEM-LBPRGKRZSA-N 316.365 -0.299 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@@](C)(NC(=O)CNC(C)=O)C1CC1 1753512623 YUYPQUDUFCVEPM-MEDUHNTESA-N 322.409 -0.865 30 20 DBED C=C(C)CNC[C@@H](C)CNC(=O)c1cn(C)c(=O)n(C)c1=O 1753631934 CQXMSDPXEVVFPF-LLVKDONJSA-N 308.382 -0.384 30 20 DBED C#CCNC[C@@H](O)CNC(=O)c1cccn(C(C)(C)C)c1=O 1753929585 FQNQFIWSRVSLRI-GFCCVEGCSA-N 305.378 -0.083 30 20 DBED C#CCNC[C@@]1(C)CCN(C(=O)CN2CCN(C)C(=O)C2)C1 1754698636 QHNMPBCNRPAWSI-MRXNPFEDSA-N 306.410 -0.778 30 20 DBED C#CCN1CCC[C@@](C)(CNC(=O)CN2C(=O)CNC2=O)C1 1754733674 NTEMNFVBFUYVKH-HNNXBMFYSA-N 306.366 -0.610 30 20 DBED N#CCNC[C@H]1CC[C@H](NC(=O)CN2C(=O)CNC2=O)CC1 1754957493 CHTBXOWKOPVFKY-XYPYZODXSA-N 307.354 -0.674 30 20 DBED C#CCNC(=O)CN[C@@]1(CO)CCCN(C(=O)CC(C)C)C1 1755080941 NTKLZUPNLODHRP-INIZCTEOSA-N 309.410 -0.275 30 20 DBED C=CCCNCC1(NC(=O)CCn2cnnn2)CCOCC1 1755097949 ASWIRKPGNTWPIL-UHFFFAOYSA-N 308.386 -0.106 30 20 DBED C=CCNC(=O)CN[C@H]1CN(C(=O)Cn2cncn2)C[C@@H]1C 1755124157 ZXBHNLFZVSHFNX-RYUDHWBXSA-N 306.370 -0.983 30 20 DBED C[C@]1(C(=O)N2CCC(O)(CNCC#N)CC2)CCC(=O)NC1 1755153045 YHHOARXEQZVUSN-AWEZNQCLSA-N 308.382 -0.631 30 20 DBED C[C@H](CNC(=O)C#CC1CC1)N(C)CCNS(C)(=O)=O 1755299869 HTPDRBUKBVWCQG-LLVKDONJSA-N 301.412 -0.615 30 20 DBED C#CCOCCC(=O)NCC1[C@H]2CN(CC(=O)NC3CC3)C[C@H]12 1755422844 KQUCUBSTYHMHTM-HUUCEWRRSA-N 319.405 -0.401 30 20 DBED CC(C)C#CC(=O)N1CCO[C@H]([C@@H](C)NCc2nnn(C)n2)C1 1755442351 QFQPNNQDQOCVHI-OLZOCXBDSA-N 320.397 -0.425 30 20 DBED CC#CCN[C@H](CO)CNC(=O)[C@@H](OCC)C1CCOCC1 1755634986 KELHYDQWAVOWPI-GJZGRUSLSA-N 312.410 -0.092 30 20 DBED C[C@@H]1[C@H](NCC(=O)NCC#N)CCN1C(=O)c1cnns1 1755662574 MJAUDNBRLUCIKU-RKDXNWHRSA-N 308.367 -0.630 30 20 DBED CC#CCN(C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCS(=O)(=O)C1 1755802573 CVUYITQDNIFURF-CHWSQXEVSA-N 316.423 -0.805 30 20 DBED CC(C)C#CC(=O)NC1(CCO)CN(C(=O)Cc2ncc[nH]2)C1 1756082250 VHZSTSUWNLGLSP-UHFFFAOYSA-N 318.377 -0.309 30 20 DBED C=CCCC(=O)N[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1OC 1757121033 URSJOZAEXVMXHT-VXGBXAGGSA-N 307.354 -0.263 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1CCC(C(N)=O)CC1 1771690693 ZHQLAADSDIFBNW-UHFFFAOYSA-N 318.399 -0.709 30 20 DBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)Cc1cc(C)[nH]n1)CCO2 1783051874 UYTJZQJMUQHYCW-INIZCTEOSA-N 316.361 -0.276 30 20 DBED CC[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)C#N)C2 1792861767 ZJIJGJYFKWDUIQ-YVECIDJPSA-N 323.393 -0.103 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccn(C)c1 1794577177 FNNADKVCDHYQAQ-AGGWBTHJSA-N 301.346 -0.139 30 20 DBED N#CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CCC(=O)N1 1795823685 BHWSARLPCJSZEX-WRWGMCAJSA-N 304.350 -0.183 30 20 DBED C[C@@H](S)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cn1cnnn1)C2 1802289811 WBKSNKJZGDAJNY-CHWFTXMASA-N 324.410 -0.370 30 20 DBED C#CC(=O)N1CCCC[C@H]1c1cc(NC(=O)CNC(=N)N)n[nH]1 1817256438 CNEABCZJSJVUSQ-JTQLQIEISA-N 317.353 -0.482 30 20 DBED N#CCC(=O)N1CCCC12CN(C(=O)c1cc(O)nc(O)n1)C2 1842622163 HNVDJKOLBDDJFO-UHFFFAOYSA-N 317.305 -0.382 30 20 DBED CC(C)NC(=O)CN1CCN(S(=O)(=O)CCCC#N)CC1 111325698 MCHMTNSULPZLRO-UHFFFAOYSA-N 316.427 -0.238 30 20 DBED C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N(C)CC#N 120741880 JHXVWEXKGFNUPJ-LLVKDONJSA-N 324.406 -0.163 30 20 DBED C#CCN1CCN(C(=O)COc2ccccc2CC(N)=O)CC1 153585365 OWZFTLRWFZSFND-UHFFFAOYSA-N 315.373 -0.129 30 20 DBED C=C(C)CN(C)S(=O)(=O)c1cnc2[nH]c(=O)[nH]c(=O)c2c1 183281642 CXHSSCDTNBOABI-UHFFFAOYSA-N 310.335 -0.192 30 20 DBED C#CC[C@@H](NS(=O)(=O)N1CCC[C@H]1C(=O)OCC)C(=O)O 250657656 CJVKDFLMMBKBMX-ZJUUUORDSA-N 318.351 -0.675 30 20 DBED C#CCN(C)CCCNC(=O)NCCCN1C(=O)CCC1=O 296685441 QTJQOLAPCQSNQM-UHFFFAOYSA-N 308.382 -0.220 30 20 DBED C#CCSCCNC(=O)NCCNS(=O)(=O)N(C)C 297336613 SHDIBXFUKDXLNV-UHFFFAOYSA-N 308.429 -0.952 30 20 DBED CN1CCN(C/C(O)=N/[C@H]2CCO[C@@H]2c2nccn2C)CC1=O 328982674 SCTPLOYCJJTJCV-FZMZJTMJSA-N 321.381 -0.019 30 20 DBED O/C(=N/C[C@@H](O)CN1CCOCC1)c1cnn2ncccc12 329604829 HBLHVKRKPUQMFE-LLVKDONJSA-N 305.338 -0.273 30 20 DBED CCCN(CC(C)(C)O)S(=O)(=O)N1CCO[C@@H](C#N)C1 337064675 JNOOURWLKDEMAB-NSHDSACASA-N 305.400 -0.062 30 20 DBED CN(C)[C@@H]1CCCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)C1 337071197 OQOUYFMKAZCTKV-NEPJUHHUSA-N 302.400 -0.518 30 20 DBED CCN(CCC#N)S(=O)(=O)NCCCN1CCC(O)CC1 337092951 MXXOWAISCFHTNA-UHFFFAOYSA-N 318.443 -0.097 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@H]1CCCC(=O)N1 337165427 YQKLWFOOMGDGSZ-WDEREUQCSA-N 302.400 -0.029 30 20 DBED N#CCNC(=O)CNC(=O)CCOc1cccc(C(N)=O)c1 343519188 NCRNAHHQQAPCOM-UHFFFAOYSA-N 304.306 -0.690 30 20 DBED C[C@H](NC(=O)CNc1ccc(C#N)cn1)C(=O)N1CCCC1 343779396 JLYMILJFLBPDGZ-NSHDSACASA-N 301.350 0.492 30 20 DBED CC(C)(C)[C@H](C#N)NS(=O)(=O)CCCCS(N)(=O)=O 349607149 LCBZJTAIOBCEOJ-VIFPVBQESA-N 311.429 -0.087 30 20 DBED C=C[C@H](CO)NC(=O)C(=O)Nc1ccccc1-n1ccnn1 354559248 BOUJUNARHICTMP-SNVBAGLBSA-N 301.306 -0.131 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC[C@H](n2cc(C(=O)OC)nn2)C1 371996796 BEKXKBNIYZTGLS-RYUDHWBXSA-N 319.365 -0.161 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2C[C@H]3OCCC[C@@H]23)C1=O 373677147 ULHSMVQDLYGNHD-HBNTYKKESA-N 321.333 -0.353 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N(CCC)[C@@H]2CCNC2)nn1 424537435 CHDDHXUJAQJGCE-CYBMUJFWSA-N 320.397 -0.319 30 20 DBED CN1C(=O)CC[C@H](NC(=O)C(=O)Nc2ccc(C#N)cc2)C1=O 425825531 JYQQOMISAVNXGE-NSHDSACASA-N 314.301 -0.240 30 20 DBED COc1ncc(NC(=O)Cn2cnc(C#N)n2)cc1C(N)=O 427086620 KKNUFYNIQJZELI-UHFFFAOYSA-N 301.266 -0.709 30 20 DBED C#CCNC(=O)c1ccc(N2CCC(S(N)(=O)=O)CC2)nc1 490668600 ATERKRACROTWBS-UHFFFAOYSA-N 322.390 -0.298 30 20 DBED C#CCn1ccc(CN(CC)C(=O)[C@@H]2CC[C@H](C(N)=O)O2)n1 490714709 QKQYZYYIWRATQJ-OLZOCXBDSA-N 304.350 -0.102 30 20 DBED C#C[C@@H](C)N(C)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 491748268 DJURBQIUCNLSLJ-MRVPVSSYSA-N 307.331 -0.141 30 20 DBED Cn1c(CSCC(=O)NC2(C#N)CCC2)cc(=O)n(C)c1=O 527118035 WZNBVBGHNKCLEY-UHFFFAOYSA-N 322.390 -0.120 30 20 DBED C[C@@]1(C2CC2)NC(=O)N(CC(=O)N[C@@]2(C#N)CCOC2)C1=O 547490147 FKYOFNVDQVINGL-UONOGXRCSA-N 306.322 -0.494 30 20 DBED C[C@H](NS(=O)(=O)N1CCO[C@@H](C#N)C1)[C@H]1CCCOC1 572137108 ZFNQAYFKRLZRFP-SRVKXCTJSA-N 303.384 -0.140 30 20 DBED CCC(CC)(NC(=O)C1CN(c2ncncc2C#N)C1)C(N)=O 584407631 TUPYBVKQIIKVHY-UHFFFAOYSA-N 316.365 -0.055 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N1CCN(CCO)C(C)(C)C1 614920943 ZZEGTURGTCFFOD-GFCCVEGCSA-N 312.414 -0.225 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN(CC(=O)NCC)CC1 665999969 WZZGTKHQBMMSKX-AWEZNQCLSA-N 324.425 -0.262 30 20 DBED CNC(=O)[C@@H](C#N)C(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 766615893 GHWVBPYLGFBWJJ-JQWIXIFHSA-N 300.318 -0.115 30 20 DBED C#C[C@H](NS(=O)(=O)N(CCOC)CCOC)[C@@H]1CCCO1 773058343 UAHKCJSOTMMZPR-STQMWFEESA-N 320.411 -0.404 30 20 DBED C#C[C@H](NC(=O)NCCS(=O)(=O)NC(C)C)[C@H]1CCCO1 773278216 XYDRRLQQLMTKND-NWDGAFQWSA-N 317.411 -0.206 30 20 DBED C#C[C@H](NC(=O)NCCS(=O)(=O)NCC)[C@H]1CCCO1 773288289 XSLHBSSUJRKYDL-WDEREUQCSA-N 303.384 -0.594 30 20 DBED C#C[C@H](NCC(=O)NCC(C)(C)N1CCOCC1)[C@@H]1CCCO1 775791774 WQVFYZPSAQCZCD-GJZGRUSLSA-N 323.437 -0.016 30 20 DBED C#CCOc1ccccc1NC(=O)C(=O)N[C@@H]1CNC(=O)C1 784867687 HJLLABRVDHUYPR-JTQLQIEISA-N 301.302 -0.358 30 20 DBED C#CCNS(=O)(=O)N1CCN(CCc2ccnn2C)CC1 801936053 OGVPVGHWNVSTBQ-UHFFFAOYSA-N 311.411 -0.952 30 20 DBED CC[C@@]1(C)NC(=O)N(NS(=O)(=O)c2cccnc2C#N)C1=O 808310484 ZESXKOLLKCESTA-GFCCVEGCSA-N 323.334 -0.133 30 20 DBED O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CC[C@@H](C(=O)O)C1 819691536 OQEOFRJQALNSFE-TWLKNAOBSA-N 307.306 -0.164 30 20 DBED C[C@](C#N)(CC(=O)O)C(=O)N1CCN(S(C)(=O)=O)CC1 819823280 SOVONLPPQCSERX-LLVKDONJSA-N 303.340 -0.905 30 20 DBED CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)N[C@H]1CCCN(O)C1=O 820475868 BQPKFQPTFBBHLI-DTWKUNHWSA-N 321.399 -0.553 30 20 DBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C1=NN(C)C(=O)CC1 831422111 UVPQKYFXDSOKLE-UHFFFAOYSA-N 317.353 -0.137 30 20 DBED C=CCN1CC[C@@H](OC(=O)Cn2cc(C(=O)OC)cn2)C1=O 859973011 MMLJQUGQAWCENM-LLVKDONJSA-N 307.306 0.000 30 20 DBED C#CCOc1ccccc1NC(=O)C(=O)NC[C@@H]1COCCN1 861522040 NLSRFXIVFCZBOL-GFCCVEGCSA-N 317.345 -0.258 30 20 DBED N#C[C@@H]1CN(C(=O)NC[C@@H]2CCCNC2=O)CCN1C1CC1 868697152 DOEKURPLAADFBH-WCQYABFASA-N 305.382 -0.106 30 20 DBED O=C(NCCCN1C(=O)CNC1=O)c1cccc(C#CCO)c1 900630484 XEUWNWHOOLRPCP-UHFFFAOYSA-N 315.329 -0.298 30 20 DBED C#CCNC(=O)C1CCN(c2nccc(S(C)(=O)=O)n2)CC1 911813562 YMOUSHWIHQSIDD-UHFFFAOYSA-N 322.390 -0.154 30 20 DBED C=CCOC[C@H]1NC(=O)N(CCS(=O)(=O)C2CC2)C1=O 927731457 DUFWEWSHDAELHC-SNVBAGLBSA-N 302.352 -0.313 30 20 DBED C#CC1(O)CN(CC(=O)NC[C@H]2COc3ccccc3O2)C1 934442001 WBPOMDZWRGQRGH-LBPRGKRZSA-N 302.330 -0.378 30 20 DBED C=C(C)C(C)(C)C(=O)N1CC[C@H](NC(=O)Cn2cnnn2)C1 937656404 OZBFVCDRGHQSKI-NSHDSACASA-N 306.370 -0.008 30 20 DBED O=C1NC[C@H](C(=O)N2CCCN(C(=O)C#CC3CC3)CC2)N1 941000755 HBWGLYMQOQLZAK-GFCCVEGCSA-N 304.350 -0.858 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C2CN([C@H]3CCN(C)C3=O)C2)CC1 941348825 QSAIKALKUGMRGB-JSGCOSHPSA-N 319.409 -0.795 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]1CNC(=O)c1c[nH]c(C(N)=O)c1 950095931 HZLJLYVHSHZNNT-WCBMZHEXSA-N 303.322 -0.396 30 20 DBED NC(=O)N1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)C#CC1CC1 950842845 VNDNNVHXUPPHDF-STQMWFEESA-N 318.377 -0.340 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(N(C)C(=O)[C@@H]2CN(C)C(=O)N2)CC1 954133824 QPIXPUZTYIPWOF-JQWIXIFHSA-N 321.381 -0.381 30 20 DBED C#CCN1CCC(C(=O)N(CC)C2CN(CC(N)=O)C2)CC1 957422349 VKZCCJMLZGVJOG-UHFFFAOYSA-N 306.410 -0.650 30 20 DBED C=CCN1C[C@H](CNC(=O)c2nnn(C(C)(C)C)n2)[C@@H](O)C1 958076571 HWZXWKROIFWEKZ-QWRGUYRKSA-N 308.386 -0.363 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2ccc3nn[nH]c3n2)C1 958121676 JOVSJZPBBOYOLT-SKDRFNHKSA-N 300.322 -0.991 30 20 DBED CC#CCN1C[C@H](O)[C@H](CNC(=O)c2cnn3cccnc23)C1 958309923 UGTWMFCCSGJSSE-OCCSQVGLSA-N 313.361 -0.225 30 20 DBED COc1c(C(=O)NC[C@H]2CN(CC#N)C[C@H]2O)c(C)nn1C 958447403 DDQUVHZZGMZNLQ-WDEREUQCSA-N 307.354 -0.717 30 20 DBED C#CCN1C[C@H]2[C@H](NC(=O)[C@H]3COCCN3CC(F)F)[C@H]2C1 961375876 UWEGVMKNOBQXCU-CZXHOFHRSA-N 313.348 -0.368 30 20 DBED C#CCN1C[C@H]2C(NC(=O)Cn3c(C)cc(C)nc3=O)[C@@H]2C1 962155935 LVQYPTNBNKBHHW-CHWSQXEVSA-N 300.362 -0.460 30 20 DBED C=CCCN1C[C@@H]2C(NC(=O)CN3CCC(=O)NC3=O)[C@H]2C1 962231032 WGAXLJSLGKOXJA-QWRGUYRKSA-N 306.366 -0.449 30 20 DBED C=CCn1cc(C(=O)N2CC3(CN(C(=O)CC)CCO3)C2)nn1 965250564 ICWYUDRWHMNIHP-UHFFFAOYSA-N 319.365 -0.073 30 20 DBED C[C@H](C#N)C(=O)N1CC2(C[C@H](NC(=O)C3=COCCO3)CO2)C1 965603808 ALXPZLJQTNHDPZ-MNOVXSKESA-N 321.333 -0.480 30 20 DBED CC(C)n1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)n1 970804937 GICOICQSSBLDFW-UHTWSYAYSA-N 319.365 -0.075 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@]2(CN(CC(=O)N(C)C)CCO2)C1 972299207 YQTFXADPUACXKN-IUODEOHRSA-N 308.382 -0.462 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)CCN3CCOCC3)C2)C1 972598625 HFOQXFXPBQNIJN-KRWDZBQOSA-N 321.421 -0.355 30 20 DBED Cn1nnc(C(=O)N[C@H]2C[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)n1 974045191 HUPXQIDEXUCVPD-DTORHVGOSA-N 314.309 -0.899 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)[C@@H]3CCN(C)C3=O)[C@H]2C1 977001098 KLTZMPUSUSLJMZ-KKJSVHSVSA-N 304.350 -0.803 30 20 DBED N#CCN1C[C@@H]2C(CNC(=O)[C@@H]3CCc4nncn4C3)[C@H]2C1 979089003 NVDPJELMBZGRMW-RAIGVLPGSA-N 300.366 -0.342 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)CC(N)=O)C2)nc1 982564701 RMZAMZVBWLMVGN-LBPRGKRZSA-N 314.345 -0.483 30 20 DBED O=C1NCCC[C@@H]1C(=O)NC[C@@H]1CCN(C(=O)C#CC2CC2)C1 982738776 HBTAJXISKVNEIW-KBPBESRZSA-N 317.389 -0.109 30 20 DBED C#CCN1CCC(C(=O)N2CC[C@@H](NCC(N)=O)[C@@H]2C)CC1 987577607 VGDCUXDMVJDCDM-GXTWGEPZSA-N 306.410 -0.604 30 20 DBED N#Cc1cc(C(=O)NC2CN(C(=O)c3ccc(O)nn3)C2)c[nH]1 990921710 ZBFFTFGUBUDKMV-UHFFFAOYSA-N 312.289 -0.364 30 20 DBED N#Cc1ccc(C(=O)N2CC(NC(=O)c3cnnc(O)c3)C2)[nH]1 994041364 POWOSXROGZSMGZ-UHFFFAOYSA-N 312.289 -0.364 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN(C(=O)c2cnccn2)C1 994750146 GNKXJHVDIULCOX-AWEZNQCLSA-N 313.361 -0.485 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)Cn3cncn3)C2)cc1 997335841 XREHTLGXCITQLE-UHFFFAOYSA-N 309.329 -0.100 30 20 DBED C#CCN1CC[C@@H](n2cc(CNC(=O)c3cn(C)nn3)nn2)C1 999985944 RHYJLIBKFVYDCH-GFCCVEGCSA-N 314.353 -0.783 30 20 DBED C=CCN1CC[C@H](N2CC[C@@H](NC(=O)[C@@H]3[C@H]4COC[C@H]43)C2)C1=O 1015568279 NZKNLXKDPJLKFX-MRLBHPIUSA-N 319.405 -0.144 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCN(CC(=O)N(C)C)C1 1028601225 LLYRVCJQMOGPBU-GJZGRUSLSA-N 320.437 -0.390 30 20 DBED CC#CCN1CC[C@@H](CNC(=O)c2nc(O)nc(O)c2OC)C1 1028925284 ARNSQKINPSXFIJ-JTQLQIEISA-N 320.349 -0.029 30 20 DBED N#Cc1c[nH]c(C(=O)NC2CN(C[C@@H](O)Cn3cccn3)C2)c1 1030199114 YTJIEDYFISHPLY-CYBMUJFWSA-N 314.349 -0.442 30 20 DBED C#CCCN1CC(NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 1030309909 VAHLXSBEUXKOHJ-LLVKDONJSA-N 301.350 -0.414 30 20 DBED CC#CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1Cc2cncn2C(=O)N1 1032536333 OMBNSFZPLRIECV-IHRRRGAJSA-N 313.361 -0.326 30 20 DBED C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)CN1CCC(=O)NC1=O 1032717830 VJYUZQMFPMVCCC-RYUDHWBXSA-N 306.366 -0.211 30 20 DBED C=C(C)CN1CC[C@H](N(C)C(=O)Cn2cnc(C(N)=O)n2)C1 1033097480 ZFIDNEPAELYDKB-NSHDSACASA-N 306.370 -0.514 30 20 DBED CC#CCN1CCO[C@H](CNC(=O)c2ccn3nnnc3c2)C1 1035473013 LCZVYJOVBMPAJY-CYBMUJFWSA-N 314.349 -0.422 30 20 DBED Cc1nn(CC(=O)N2CC[C@H]3[C@H](CCN3CC#N)C2)c(=O)n1C 1036882544 NJPMSKZBAHAWQV-OLZOCXBDSA-N 318.381 -0.663 30 20 DBED N#Cc1ccc(F)c(CN2C[C@H]3C[C@H]2[C@H]3NC(=O)C(N)=O)c1 1037564667 DKGJQGAAXAYLKX-WXHSDQCUSA-N 302.309 -0.128 30 20 DBED C#CCCN1CC[C@@H]1CNC(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1 1038697016 KPMOVTKFZJHXGH-MCIONIFRSA-N 307.394 -0.164 30 20 DBED C#CCCCC(=O)NC[C@]1(O)CCN(C(=O)c2ncccn2)C1 1039573906 MDGHEVVWIJMWGU-MRXNPFEDSA-N 316.361 -0.027 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3[C@H]4COC[C@H]43)C2)cn1 1041273610 XOOHTPRXYLWKGG-KHMAMNHCSA-N 314.345 -0.489 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)CCCC)C1 1041517531 OGTCTQWYWOJRSX-AWEZNQCLSA-N 321.421 -0.036 30 20 DBED C[C@@H]1C[C@H]1CC(=O)N1CC(O)(CNC(=O)CSCC#N)C1 1041571413 YMBBWJFYZYZXBP-MNOVXSKESA-N 311.407 -0.021 30 20 DBED C#CCN1CC[C@@]2(CCN(C(=O)[C@H]3COCCN3C(C)=O)C2)C1 1041839612 OWDALGZBQAOUFA-NVXWUHKLSA-N 319.405 -0.209 30 20 DBED C=C(C)CCC(=O)N1CC(O)(CNC(=O)[C@H]2CCC(=O)N2)C1 1042071341 NXZMOMXSSMEASB-LLVKDONJSA-N 309.366 -0.689 30 20 DBED CC#CCN1CC[C@H]2CCN(C(=O)Cn3ncn(C)c3=O)C[C@H]21 1042122186 NAQJTYOYJHRWRB-UONOGXRCSA-N 317.393 -0.472 30 20 DBED C#CCCCCC(=O)NCC1(O)CN(C(=O)[C@H](C)NC(C)=O)C1 1042659058 YHYKFKRFPRAUDI-LBPRGKRZSA-N 323.393 -0.606 30 20 DBED C=CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)[C@H]2CC2(F)F)C1 1042919936 NVIPUNNSDVDUJK-NXEZZACHSA-N 318.320 -0.078 30 20 DBED Cc1cc(C(=O)N[C@@H]2CN(c3cnc(C#N)cn3)C[C@@H]2O)n[nH]1 1043868809 GBKYTQZUDGTDDK-NEPJUHHUSA-N 313.321 -0.641 30 20 DBED C=CCCCC(=O)N1CC(O)(CNC(=O)c2cnn(C)n2)C1 1043886194 KQSMLMJACUOYPD-UHFFFAOYSA-N 307.354 -0.526 30 20 DBED Cc1c[nH]nc1C(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@@H]1O 1043928791 HBAYFTQAZQLPKK-NEPJUHHUSA-N 312.333 -0.036 30 20 DBED C#Cc1ccc(C(=O)NCC2(O)CN(C(=O)CCOC)C2)nc1 1044254652 AMNSKHSXGNYDMK-UHFFFAOYSA-N 317.345 -0.598 30 20 DBED C#CCN[C@H]1CCN(C(=O)Cn2ccc(O)nc2=O)[C@H](C)C1 1044668135 TUJCKPIOTROWLN-NEPJUHHUSA-N 304.350 -0.449 30 20 DBED C=CCOCCCC(=O)N1CC(O)(CNC(=O)[C@@H](C)C#N)C1 1045541210 RIEGRXGVHKZKBC-LBPRGKRZSA-N 309.366 -0.182 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)CCc2cnc[nH]2)C1 1045565495 YNDCJXVEDBZKLN-SNVBAGLBSA-N 305.338 -0.809 30 20 DBED N#CCN1CCC(F)(F)[C@H](CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 1046974018 BXXQNJVFEIFROM-BBBLOLIVSA-N 300.309 -0.295 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)Cc2ccn(CC)n2)C1 1047388397 RVBLKOIWOGOMLZ-GJZGRUSLSA-N 304.394 -0.028 30 20 DBED CC(=O)N1CC[C@](C)(C(=O)N(C)[C@H]2CN(CC#N)C[C@@H]2O)C1 1047590033 WMNDQYBRBGADPZ-YDHLFZDLSA-N 308.382 -0.728 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCCN2C(N)=O)C1 1047592471 QZRQBNZPICXUTD-AVGNSLFASA-N 310.398 -0.391 30 20 DBED C=CCCC(=O)N(C)[C@H]1CN(C(=O)CCn2cncn2)C[C@@H]1O 1048506773 XIRRYQCCGNSPPR-STQMWFEESA-N 321.381 -0.336 30 20 DBED N#CCN1CCOC[C@@H]1CNC(=O)c1ccnc2[nH]cnc12 1050942664 FLBATLJKXDRLKF-JTQLQIEISA-N 300.322 -0.088 30 20 DBED CN1C(=O)CCC[C@H]1C(=O)N[C@H]1COC2(C1)CN(CC#N)C2 1053996678 JIQGLSJQGDPOLF-NEPJUHHUSA-N 306.366 -0.520 30 20 DBED C=CCN1CC2(C[C@@H](NC(=O)c3cccc(C(N)=O)n3)CO2)C1 1054019823 DBQVGDKMNTUXNP-LLVKDONJSA-N 316.361 -0.060 30 20 DBED C=CCN1CC2(C[C@H](NC(=O)c3ccc(C(N)=O)nc3)CO2)C1 1054023733 FSUABMMVDKENBV-LBPRGKRZSA-N 316.361 -0.060 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@](CO)(NC(=O)CC(=O)N(C)C)C1 1055950971 IGARBYXYXVQYRL-XHDPSFHLSA-N 324.381 -0.906 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@](CO)(NC(=O)c2cncn2C)C1 1056001030 WVABHTCCVKYWDL-IAQYHMDHSA-N 319.365 -0.337 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)COC 1056350229 HUQTWFGRHIUCNW-OLZOCXBDSA-N 321.377 -0.636 30 20 DBED CN(c1ccnc(C#N)n1)[C@@H]1CCN(C(=O)[C@H]2COCCO2)C1 1056868259 AESITZAOKCGLBM-VXGBXAGGSA-N 317.349 -0.199 30 20 DBED CCO[C@H](C)C(=O)NCCN(CCO)C(=O)c1cc(C#N)c[nH]1 1057291535 IGICDRJVOIVXCW-LLVKDONJSA-N 322.365 -0.138 30 20 DBED COc1nc(C(=O)N(CCO)CCNC(=O)C#CC2CC2)co1 1058181312 RHGUWEAFIHOEMN-UHFFFAOYSA-N 321.333 -0.353 30 20 DBED Cc1ccc(C#N)c(N2CC[C@H](NC(=O)[C@@H]3CNC(=O)N3)C2)n1 1058531489 QPMUCMDFCFSDIS-RYUDHWBXSA-N 314.349 -0.362 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)c1cc[n+]([O-])cc1 1058653490 WJGSAVVQBYPBAG-LLVKDONJSA-N 306.322 -0.970 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1CCN(C(=O)[C@H]2COCCO2)C1 1058846009 DAABCKNGSFYXBO-GXTWGEPZSA-N 302.334 -0.197 30 20 DBED N#Cc1c[nH]c(C(=O)NCC[C@H]2CCN(C(=O)CC(N)=O)C2)c1 1059379777 YRCMPZFHCGNRSV-JTQLQIEISA-N 317.349 -0.270 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](CCNC(=O)CN2CCOCC2)C1 1060288830 GBEFWQGEZNTMMJ-ZIAGYGMSSA-N 322.409 -0.167 30 20 DBED Cn1cnc(C(=O)NC[C@H]2CCCN2c2ccnc(C#N)n2)n1 1061348203 CCQWZISWWDFLNJ-SNVBAGLBSA-N 312.337 -0.124 30 20 DBED C#CCCCC(=O)NC[C@@H]1COCCN1C(=O)c1nc[nH]n1 1061538157 KZVOSCFFUYXRRS-LLVKDONJSA-N 305.338 -0.435 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CCCCN1C(=O)C1(NC(N)=O)CC1 1062139734 SMEFXQDCPAASLK-GHMZBOCLSA-N 321.381 -0.156 30 20 DBED C=CCO[C@H](C)C(=O)NC1(CNC(=O)CNC(N)=O)CCC1 1062492385 OHCOTIDNQNRXHA-SNVBAGLBSA-N 312.370 -0.599 30 20 DBED C[C@H]1CCCN(C(=O)C(N)=O)[C@H]1CN=c1cc[nH]cc1C#N 1063955264 ARKBKFAQVCCTHK-GWCFXTLKSA-N 301.350 -0.101 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CN(C(=O)c2ccnc(O)c2)CCO1 1065040497 LNNFXVGBTKYNFF-ZYHUDNBSSA-N 318.333 -0.096 30 20 DBED C#CCNC(=O)CC(=O)N1CCO[C@@H](CNC(=O)CC2CC2)C1 1065064134 TYZMSCGUOWUROV-ZDUSSCGKSA-N 321.377 -0.730 30 20 DBED C#CCO[C@H](C)C(=O)N1CCO[C@@H](CNC(=O)c2cnon2)C1 1065154666 MNIHNCBFSHPMJH-MNOVXSKESA-N 322.321 -0.935 30 20 DBED C=C(C)CCC(=O)N1CCO[C@@H](CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 1065224061 JXIQYDFFQREEGO-XQQFMLRXSA-N 323.393 -0.192 30 20 DBED N#Cc1nc(=NC[C@H]2CN(C(=O)c3cocn3)CCO2)cc[nH]1 1066601751 FDFSHZGOLCDIEM-JTQLQIEISA-N 314.305 -0.289 30 20 DBED N#Cc1nccc(N2CC[C@@]3(CCCN(C(=O)C(N)=O)C3)C2)n1 1066869469 AMPIOLNCMXHODQ-HNNXBMFYSA-N 314.349 -0.348 30 20 DBED N#Cc1cnc(N2C[C@H](O)[C@H](CNC(=O)c3ccc[nH]3)C2)cn1 1067657231 YRJAETGJMOEECD-MFKMUULPSA-N 312.333 -0.097 30 20 DBED C#CCCCCC(=O)NC[C@H]1CCC2(CN(C(=O)C(N)=O)C2)O1 1068559847 GWFUKHAWLMKCSI-GFCCVEGCSA-N 321.377 -0.459 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1COC2(C1)CN(C(=O)CNC(C)=O)C2 1068945330 QXPGAAHERNMPTF-LBPRGKRZSA-N 323.393 -0.179 30 20 DBED CC(C)C#CC(=O)NC1(C)CCN(C(=O)Cn2ncnn2)CC1 1073049288 DTLGCNRHVUTZBK-UHFFFAOYSA-N 318.381 -0.170 30 20 DBED C=CCOCC(=O)NC1(C)CCN(C(=O)[C@@H]2CCNC2=O)CC1 1073181999 IRFTXHNJRCIGMI-GFCCVEGCSA-N 323.393 -0.178 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(C(=O)c2ncn(C)n2)C[C@H]1C 1073819798 JPHPVBLAWOMLAA-VXGBXAGGSA-N 321.381 -0.016 30 20 DBED C[C@H](C#N)C(=O)N1CCC(O)(CNC(=O)[C@H]2CCCN2C)CC1 1074705111 NCFIFBMQEQDKEX-CHWSQXEVSA-N 322.409 -0.290 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCc3nccn32)C1 1077130924 JKVHLBVUIKVTFN-MGPQQGTHSA-N 302.378 -0.055 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2COCCN2CCCC)C1 1077444234 QLOSDAMJKTUODS-BZUAXINKSA-N 323.437 -0.328 30 20 DBED C[C@@H](CCNC(=O)c1nc[nH]n1)NC(=O)c1c[nH]c(C#N)c1 1077830103 GMVSXAMKTKQJME-QMMMGPOBSA-N 301.310 -0.057 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cc[nH]n2)C1 1081285633 ANQAXVXPLGVTKQ-CMPLNLGQSA-N 308.338 -0.839 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2cnns2)C1 1081297623 NGNLNZLCGIDLDI-GHMZBOCLSA-N 322.390 -0.253 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C[C@H]1O 1081340685 GPEXRZJGZCEFPR-VVSAWPALSA-N 324.377 -0.983 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@H](CNC(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1081672067 SXSGUIBKHONBGC-VVSAWPALSA-N 324.377 -0.983 30 20 DBED C=CCCn1cc(C(=O)N(C)C[C@@H]2CCN2[C@@H](C)C(N)=O)nn1 1085863764 JCCVXXFBGZQHSY-RYUDHWBXSA-N 320.397 -0.126 30 20 DBED C[C@H](C[C@@H](C)NC(=O)Cn1cncn1)N=c1cc[nH]c(C#N)n1 1089317074 WHOYGVXXOGKWBJ-GHMZBOCLSA-N 314.353 -0.243 30 20 DBED C[C@H](C[C@@H](C)Nc1nccnc1C#N)NC(=O)c1nnn(C)n1 1089447155 DGQCHJDVUUZQSX-RKDXNWHRSA-N 315.341 -0.119 30 20 DBED CNC(=O)CC(=O)N1CC[C@H](Nc2cncc(C#N)n2)[C@@H]1C 1090211740 SKGPMOBIUKYASP-ONGXEEELSA-N 302.338 -0.114 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2nnc3ccccc3n2)[C@H](O)C1 1090431872 FDGAOJIYCWMYNM-CHWSQXEVSA-N 312.333 -0.287 30 20 DBED C#CCN1CC[C@@H](NC(=O)Cc2nc(C3CC3)nn2C)[C@H](O)C1 1090823719 LNSKRZXXGYRGGB-CHWSQXEVSA-N 317.393 -0.580 30 20 DBED N#Cc1cnc(N2CCN(C(=O)CNC(N)=O)CC2)c(F)c1 1093132571 HXIUCSHFWOWISK-UHFFFAOYSA-N 306.301 -0.591 30 20 DBED N#Cc1cnc(N2C[C@H]3[C@H](NC(=O)CCCC(N)=O)[C@H]3C2)cn1 1093277938 HRLPTJIJLZKMEP-HBYGRHMLSA-N 314.349 -0.445 30 20 DBED N#Cc1c[nH]ccc1=NCCNC(=O)[C@@H]1CCCS1(=O)=O 1093670255 UHRLJZOLQZUDEU-LBPRGKRZSA-N 308.363 -0.520 30 20 DBED COC[C@]1(C(=O)NCCNc2cncc(C#N)n2)CCOC1 1094009519 DHHKHBDFVIZFQP-CQSZACIVSA-N 305.338 -0.071 30 20 DBED N#Cc1ccc(C(=O)NCc2cn(C3CN(CCO)C3)nn2)[nH]1 1094284992 YDGKWJLSDXZECE-UHFFFAOYSA-N 315.337 -0.743 30 20 DBED C[C@@H]1CC[C@H](C(=O)NCc2cn(C3CN(CC#N)C3)nn2)O1 1094321963 WCLVBWNDEIYGIF-ZWNOBZJWSA-N 304.354 -0.158 30 20 DBED N#Cc1cnc(NCCCNC(=O)CN2CCOCC2)cn1 1094371347 FEBBEUPZHCDWHC-UHFFFAOYSA-N 304.354 -0.401 30 20 DBED N#Cc1nc(=NCCCNC(=O)C[C@@H]2CCC(=O)N2)cc[nH]1 1094494621 VALXTDQWLUCFDN-JTQLQIEISA-N 302.338 -0.643 30 20 DBED N#CCN1CCN(C(=O)c2ccon2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094610231 XPZQTJDZTPDGBK-WDEREUQCSA-N 310.335 -0.878 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)c3nccc(C)n3)CC2=O)C1 1094731648 PYUIPVKUYZZGFO-GFCCVEGCSA-N 315.377 -0.014 30 20 DBED COCCOCC(=O)NC[C@H](N=c1cc[nH]c(C#N)n1)C1CC1 1096598236 KADSKYMIBOKDAJ-LBPRGKRZSA-N 319.365 -0.260 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](Nc2cc(F)ncn2)C1 1096934943 WAZMHRBHHLWJRO-JTQLQIEISA-N 305.313 -0.232 30 20 DBED C[C@H](CNC(=O)C(=O)NCC(F)F)Nc1cncc(C#N)n1 1098135462 WOGUBOUIXQMBHV-SSDOTTSWSA-N 312.280 -0.354 30 20 DBED C[C@H](CNC(=O)[C@@H]1CCC(=O)N1C)Nc1cnc(C#N)cn1 1098200463 XJVJBALLEPVIDR-KOLCDFICSA-N 302.338 -0.114 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)C(C)(F)F)[C@@H](O)C1 1099614680 XLALZMFJEZYYEZ-ZJUUUORDSA-N 305.325 -0.505 30 20 DBED C[C@@H](CCNC(=O)[C@H]1CNC(=O)N1)Nc1ccc(C#N)nc1 1099683296 ZKNFVTWRNMMYJL-JOYOIKCWSA-N 302.338 -0.059 30 20 DBED N#CCSCC(=O)N[C@@H]1CCN(Cc2ccon2)C[C@@H]1O 1099686481 GLEDUEIKTHNVBT-NEPJUHHUSA-N 310.379 -0.017 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(CCn2cncn2)C[C@H]1O 1099737922 GGYXPZCSIZRDHB-CHWSQXEVSA-N 309.370 -0.968 30 20 DBED C#CCOCCC(=O)N[C@H]1CCN(Cc2n[nH]c(C)n2)C[C@@H]1O 1099832387 GXSBHUSKAOCWNB-STQMWFEESA-N 321.381 -0.796 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)CC(C)(C)C=C)[C@H](O)C1 1099846863 CWOHBPRMQZPLBT-ZIAGYGMSSA-N 321.421 -0.111 30 20 DBED C#CCN1CC[C@H](NC(=O)C(C)(C)CN2CCOCC2)[C@H](O)C1 1099892792 PPOKHJZFJYTBDB-LSDHHAIUSA-N 323.437 -0.471 30 20 DBED COCC#CCN1CC[C@H](NC(=O)COCC(F)F)[C@H](O)C1 1099935000 HNCDIJSCAOIGHD-NWDGAFQWSA-N 320.336 -0.531 30 20 DBED CC(C)(C(=O)N[C@@H]1CCN(CC(=O)NCC#N)C[C@@H]1O)C1CC1 1099952530 UYIDJPVGDZIFLE-OLZOCXBDSA-N 322.409 -0.386 30 20 DBED CCc1nc(C#N)cc(N(C)CCNC(=O)c2cn(C)nn2)n1 1100052455 UAOOBBRHEBTPSW-UHFFFAOYSA-N 314.353 -0.095 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1CC(NCc2cnn(C)n2)C1 1100322481 KDIXAMARRUTJSB-HIFPTAJRSA-N 305.382 -0.162 30 20 DBED C=C(C)CNC1CC(CNC(=O)[C@H](CCC(N)=O)NC(C)=O)C1 1100763002 BWVOAKRVVUGSFR-RUXDESIVSA-N 324.425 -0.183 30 20 DBED N#Cc1cnccc1N(CCNC(=O)Cn1ncnn1)C1CC1 1101391280 TZMFGSVLIWVLDC-UHFFFAOYSA-N 312.337 -0.275 30 20 DBED CN(CCNc1cnc(C#N)cn1)C(=O)c1ccn2nnnc2c1 1101890309 VXOGCWZUPUQASI-UHFFFAOYSA-N 323.320 -0.030 30 20 DBED C#CCCN1C[C@@H](C)[C@H](CNC(=O)[C@@H](C)NC(=O)COC)C1 1101992262 GXDLWBRWGANDOK-MGPQQGTHSA-N 309.410 -0.155 30 20 DBED COCC#CCN1C[C@@H](C)[C@H](CNC(=O)[C@]2(C)CCC(=O)N2)C1 1102343879 MYJJYIXJLFPZEP-CPUCHLNUSA-N 321.421 -0.011 30 20 DBED CC[C@H](CNC(=O)[C@@H]1COCCN1C)N=c1cc[nH]c(C#N)n1 1103035885 ASXRGXPCZDDJMD-NEPJUHHUSA-N 318.381 -0.593 30 20 DBED CNC(=O)CC(=O)NC[C@@H](C)CNc1nc(C)cc(C#N)n1 1103925965 LPGBIAGMARCYNM-SECBINFHSA-N 304.354 -0.043 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)[C@H]1C[C@H]1C(N)=O 1104208896 KEBBFPDZGXNAMY-AEJSXWLSSA-N 302.338 -0.944 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CN(c2ccc(C#N)nn2)CCO1 1104302568 YCLMPIGECRSIPB-JQWIXIFHSA-N 300.322 -0.171 30 20 DBED C[C@H](CNc1cnc(C#N)cn1)N(C)C(=O)Cc1nc[nH]n1 1104672875 IPJZWQLQTLFGMP-SECBINFHSA-N 300.326 -0.032 30 20 DBED C[C@@H](CNc1cnc(C#N)cn1)N(C)C(=O)Cn1nccn1 1104701283 DIEOMSXWVCXJJG-JTQLQIEISA-N 300.326 -0.101 30 20 DBED Cc1cc(=NC[C@@H](O)CNC(=O)c2cnn(C)c2)c(C#N)c[nH]1 1105715752 AVHLEGFTUFWHHY-CYBMUJFWSA-N 314.349 -0.380 30 20 DBED Cc1nccc(C(=O)NC[C@H](O)CNc2cncc(C#N)n2)n1 1105862150 RDPICBMPYQYKPV-LLVKDONJSA-N 313.321 -0.351 30 20 DBED CCCN(C)CC(=O)NC[C@H](O)CNc1nc(C)cc(C#N)n1 1105909064 CQUQSOMAXRVCFN-ZDUSSCGKSA-N 320.397 -0.113 30 20 DBED C[C@@]1(C(=O)NC[C@H](O)CN=c2cc[nH]c(C#N)n2)CCCOC1 1105955504 PREQAZVLFSDYSL-IAQYHMDHSA-N 319.365 -0.524 30 20 DBED CN(C)C1(C(=O)NC[C@@H](O)CNc2cnc(C#N)cn2)CCC1 1106004211 OQBKCCRQOXPLBG-LBPRGKRZSA-N 318.381 -0.278 30 20 DBED CN(C)C1(C(=O)NC[C@@H](O)CNc2ccc(C#N)nn2)CCC1 1106004397 QTAIYRVWBBTKKH-LBPRGKRZSA-N 318.381 -0.278 30 20 DBED C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CNCC(N)=O)C2)cn1 1106894419 KSJXHZJJCPVMOV-DGCLKSJQSA-N 300.362 -0.154 30 20 DBED CCNC(=O)CC(=O)NC/C=C\CNc1ccc(C#N)nn1 1107131224 JYKUBHSQKPASMY-ARJAWSKDSA-N 302.338 -0.041 30 20 DBED C[C@H](CC(N)=O)C(=O)NC/C=C\CNc1cnc(C#N)cn1 1107453489 ZALRSTYIJMGYEK-MXQLGCADSA-N 302.338 -0.056 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)[C@@H]1CCC(=O)N(C)C1 1107803228 QGRJUCGMTLPZLT-GHMZBOCLSA-N 316.365 -0.445 30 20 DBED C=CCOCCN1CCO[C@](C)(CNC(=O)c2cn(C)nn2)C1 1107918642 UNJBIOYMGFWMFW-OAHLLOKOSA-N 323.397 -0.162 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)C[C@](C)(O)C=C)CC2=O)C1 1108538904 QFPWKVCBRNUAQH-BLLLJJGKSA-N 307.394 -0.099 30 20 DBED C=C(C)C(C)(C)C(=O)N[C@H]1CC(=O)N(C2CN(CCO)C2)C1 1108561313 WSBFXNFGDWITAY-LBPRGKRZSA-N 309.410 -0.018 30 20 DBED C=CCOCC(=O)N1C[C@H]2C[C@@H](NCC(=O)NC(N)=O)C[C@H]1C2 1108641966 PDMMXUAWMAJJBE-QJPTWQEYSA-N 324.381 -0.647 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(c2ccc(C)nn2)C[C@H]1O 1112702305 QCNYQIWUXNJWJA-CHWSQXEVSA-N 306.366 -0.099 30 20 DBED C#CCOCCC(=O)NC[C@H]1CN(c2cc(C)ncn2)C[C@H]1O 1112739241 WLYNSIPXXZQZRX-UONOGXRCSA-N 318.377 -0.262 30 20 DBED CC#CCCCC(=O)N1CCN(Cc2nc(=O)n(C)[nH]2)CC1 1113226230 RZWZSORAMBFEJZ-UHFFFAOYSA-N 305.382 -0.054 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)C[C@@H](C)COC)CC1 1113484325 GCNZXDGUZRGXHJ-ZIAGYGMSSA-N 309.410 -0.059 30 20 DBED C=CCCCN1CCN(C(=O)c2cn(CC(N)=O)nn2)CC1 1113682742 QMJQDYXRTNDIPG-UHFFFAOYSA-N 306.370 -0.513 30 20 DBED N#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3cncs3)[C@H]2C1 1113948162 NKQLBCGPMDDEQX-GDGBQDQQSA-N 305.363 -0.557 30 20 DBED C=CCOCCN1C[C@H]2[C@H](NC(=O)[C@H]3CCNC(=O)C3)[C@H]2C1 1114137254 UPPIJDQSBRAEON-RMRHIDDWSA-N 307.394 -0.238 30 20 DBED C#CCCCCC(=O)NC1[C@H]2CN(CC(=O)NCC#N)C[C@H]12 1114159911 NUIFWFJWPWTDFJ-STQMWFEESA-N 302.378 -0.134 30 20 DBED C#CCOCCC(=O)NC1[C@H]2CN(CC(=O)NCCCC)C[C@H]12 1114266773 WFXWQDDICHMUII-KBPBESRZSA-N 321.421 -0.011 30 20 DBED N#Cc1ccc(N2C[C@H]3CC[C@H]2CN3C(=O)CNC(N)=O)nc1 1114380575 JOEFLRTYBBNFAV-NWDGAFQWSA-N 314.349 -0.199 30 20 DBED CO[C@H](C)C(=O)NCCOCCN(C)c1nccnc1C#N 1115183665 VWFVKUJZTNXVLS-LLVKDONJSA-N 307.354 -0.048 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N1CCN(CCOCC)CC1 1117543411 GIWSOQDPQNTYIQ-ZDUSSCGKSA-N 313.398 -0.516 30 20 DBED C[C@H]1C[C@H](NC(=O)C(=O)NCCNc2ncccc2C#N)CO1 1118146314 XIEGZTZROXXTJU-JQWIXIFHSA-N 317.349 -0.225 30 20 DBED CN(C)S(=O)(=O)NCCNCc1cnc2c(C#N)cnn2c1 1118267431 DQJOBAZIZSWNNU-UHFFFAOYSA-N 323.382 -0.913 30 20 DBED CCN(CCS(C)(=O)=O)C(=O)C(=O)N1CCC[C@@H](C#N)C1 1120343001 IEJVSJXCLOTKID-NSHDSACASA-N 315.395 -0.358 30 20 DBED C[C@@H]1OCCO[C@@H]1C(=O)N(C)C[C@@H](C)N=c1cc[nH]c(C#N)n1 1120864388 KCMMLUPICIXVPD-SUNKGSAMSA-N 319.365 -0.167 30 20 DBED Cc1nc2ncnn2c(N[C@H](CO)CNC(=O)[C@@H](C)C#N)c1C 1121213922 VLKNZVJEWLZUJF-KWQFWETISA-N 317.353 -0.210 30 20 DBED Cc1ccc(C#N)c(N[C@H](CO)CNC(=O)c2ncn(C)n2)n1 1121432371 MERMSQCVXIYCKW-NSHDSACASA-N 315.337 -0.407 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H](CO)CNC(=O)C1CCC(O)CC1 1121498325 VYKJTIXIUVLSPX-HRDQMINSSA-N 318.377 -0.185 30 20 DBED Cc1nc[nH]c1C(=O)NC[C@@H](CO)N=c1cc[nH]cc1C#N 1121724388 MLVQXKYUUSCFMA-NSHDSACASA-N 300.322 -0.391 30 20 DBED COC[C@@H](OC)C(=O)NC[C@@H](CO)N=c1cc(C)[nH]cc1C#N 1122467681 ZQYVYLPGLILFSH-GXTWGEPZSA-N 322.365 -0.766 30 20 DBED N#Cc1nccnc1N[C@H](CO)CNC(=O)CCc1cn[nH]c1 1122704784 QLPZEZAHVUVOIG-NSHDSACASA-N 315.337 -0.407 30 20 DBED CN(CC(=O)NC[C@H](CO)Nc1ccc(C#N)nn1)C1CCC1 1122740249 CWSHAHJYHWSKEH-GFCCVEGCSA-N 318.381 -0.278 30 20 DBED C[C@H]1[C@H](NC(=O)CC(N)=O)CCCN1c1ccnc(C#N)n1 1123522762 MZYROGIMCOWJPS-VHSXEESVSA-N 302.338 -0.303 30 20 DBED CC(=O)N(C)CC(=O)N(C)C[C@@H](O)CNc1nccnc1C#N 1124111533 JFOSEQHPFUCUBL-NSHDSACASA-N 320.353 -0.942 30 20 DBED C#CCOCCN(C)C(=O)C1(S(C)(=O)=O)CCOCC1 1124133395 RFQNNNYFAOIHQQ-UHFFFAOYSA-N 303.380 -0.312 30 20 DBED C=CCCN1CCn2ncc(CNC(=O)Cn3ncnn3)c2C1 1128355908 JYQJUCGJMCLVLN-UHFFFAOYSA-N 316.369 -0.422 30 20 DBED C#CCO[C@@H](C)C(=O)NCc1cnn2c1CN(CCCO)CC2 1128362286 DNMDBHIRBUZNGE-ZDUSSCGKSA-N 320.393 -0.264 30 20 DBED CCOCCC(=O)NCc1nc([C@@H]2COCCN2CC#N)n[nH]1 1130832023 RGIKPIDIYHLRQJ-NSHDSACASA-N 322.369 -0.256 30 20 DBED C=C(C)C[C@@H](C)C(=O)NCCNCc1cc(=O)n(C)c(=O)n1C 1132667992 YQLXUWFQVCMNPP-GFCCVEGCSA-N 322.409 -0.108 30 20 DBED C=CCNC[C@H]1CN(C(=O)CNC(=O)CNC(C)=O)CC[C@@H]1C 1132928884 VLQZRCZCEGVNPS-JSGCOSHPSA-N 324.425 -0.501 30 20 DBED C[C@H]1CCN(C(=O)c2ccc(=O)n(C)n2)C[C@H]1CNCC#N 1133292161 BUBYMFIIWIDLKU-NWDGAFQWSA-N 303.366 -0.008 30 20 DBED Cc1cc(C(=O)N[C@@H](C)C[C@H](C)NCC(=O)NCC#N)n[nH]1 1133865591 DLNJDKQQAGYUKE-UWVGGRQHSA-N 306.370 -0.156 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)C[C@@H](C)NCC#CCOC 1134130341 GPTSHRAAUDQRNM-ZIAGYGMSSA-N 307.394 -0.351 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@H]1Cc2cc(F)ccc2O1 1134581612 HFZVKINCAJKFOL-CQSZACIVSA-N 319.336 -0.416 30 20 DBED C#CCOc1ccc(C(=O)NCCN[C@H]2CCNC2=O)cc1 1134950582 PWPCGJHTXKKBAJ-AWEZNQCLSA-N 301.346 -0.094 30 20 DBED N#CCNC(=O)CNCCNC(=O)CNC(=O)CC1CCCC1 1135287044 UAIPTXRGOOZXGE-UHFFFAOYSA-N 323.397 -0.972 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)c1cn(CC2CC2)nn1 1135972815 JMLLAVGEQIXEAQ-LLVKDONJSA-N 320.397 -0.302 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cnn(C(C)C)c1C 1147307185 HIZTZRPGZXGGAR-UHFFFAOYSA-N 305.382 -0.159 30 20 DBED CC#CCCCC(=O)N1CC2(CCN(CC(=O)NC(N)=O)C2)C1 1148111425 ZBPIGRJVOACZSS-UHFFFAOYSA-N 320.393 -0.091 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cccc2nnn(C)c12 1153900666 ACWLMNYOGOSVLW-UHFFFAOYSA-N 314.349 -0.963 30 20 DBED N#Cc1cc(C(=O)NCCCNC[C@@H](O)Cn2cccn2)c[nH]1 1156852574 GCJZUVJIYLQIII-CQSZACIVSA-N 316.365 -0.147 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)c1cnnn1CC 1157565044 AEPCSVQKXWCWMP-LLVKDONJSA-N 306.370 -0.855 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)C1(F)CCOCC1 1159528343 VGEMSGRGNVMZPU-GFCCVEGCSA-N 313.373 -0.261 30 20 DBED C=CCOCC(=O)NCCC1(CNCc2nc(=O)n(C)[nH]2)CC1 1163799617 QPJSKMIWNFHPFB-UHFFFAOYSA-N 323.397 -0.313 30 20 DBED N#CCNC(=O)CNCCCNC(=O)C1CC2(CCOCC2)C1 1171086851 WFHVMBGOWYKADA-UHFFFAOYSA-N 322.409 -0.071 30 20 DBED C#CCNCCCC[C@@H](C)NC(=O)[C@@H]1CCN(C)S1(=O)=O 1175644662 OZIWHBJCSUZHMK-OLZOCXBDSA-N 315.439 -0.082 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)[C@@H]2CCN(C)C2)C1=O 1176057057 MLZDNGBJGBTTPI-KGLIPLIRSA-N 308.426 -0.179 30 20 DBED C#CCCCCC(=O)N1CC[C@H]2OCCN(CC(N)=O)[C@H]2C1 1176990087 YXKHMTDYWUAVBH-UONOGXRCSA-N 307.394 -0.033 30 20 DBED CCc1n[nH]cc1C(=O)N1CC[C@@H](NCC(=O)NCC#N)C1 1183884572 STIWVYIFAICCBF-SNVBAGLBSA-N 304.354 -0.584 30 20 DBED C#CCNC[C@@H]1CCN(C(=O)CN2CCC(=O)NC2=O)C[C@@H]1C 1185446113 KGMJMLCJRMREAS-STQMWFEESA-N 320.393 -0.364 30 20 DBED N#CCNC[C@@H]1CN(C(=O)Cn2cnnn2)CC12CCOCC2 1186244992 DFMGBMPFCQHXKO-GFCCVEGCSA-N 319.369 -0.959 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H]2CCN(C(=O)c3ccon3)[C@@H]2C1 1187046304 ACYQQZUYIYTVBJ-MBNYWOFBSA-N 316.361 -0.041 30 20 DBED COCC#CCN1C[C@@H]2CCN(C(=O)CS(C)(=O)=O)[C@@H]2C1 1187086583 MLTNONKAHOSJMU-QWHCGFSZSA-N 314.407 -0.787 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)C2=COCCC2)C1 1189269095 GNTWEGMYEFGSQT-AWEZNQCLSA-N 305.378 -0.037 30 20 DBED Cc1nn(C)cc1C(=O)N1CC[C@@H](N(C)CC(=O)NCC#N)C1 1189427012 BNOORRVPPBVUSH-GFCCVEGCSA-N 318.381 -0.485 30 20 DBED COCC#CCN(C)[C@H]1CCN(C(=O)Cc2n[nH]c(C)n2)C1 1190046370 HVEGBQRCBYIPEU-ZDUSSCGKSA-N 305.382 -0.162 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)Cn2nccc2C)C1 1192586674 UACYYCFQWQOOBD-AWEZNQCLSA-N 317.393 -0.526 30 20 DBED N#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@]23CCCC[C@@H]2C3)C1 1196003488 DRWIXSGRLGGYAK-BRXULGCHSA-N 320.393 -0.632 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)COC[C@@H](C)N2CCCC2)C1 1196298826 CMLKBRHFZPEEJP-RBSFLKMASA-N 311.426 -0.165 30 20 DBED C#CCNC(=O)[C@H](C)N1CCCN(C(=O)c2nc[nH]n2)CC1 1197485113 MBVHCNXDYGECIO-NSHDSACASA-N 304.354 -0.910 30 20 DBED COC[C@H](O)CNC[C@H]1CN(C(=O)C#CC(C)C)CCCO1 1200469057 BBKZALZBKUIFAZ-CABCVRRESA-N 312.410 -0.140 30 20 DBED C#CCCNC1CCN(C(=O)[C@@H]2COCCN2C(C)=O)CC1 1203780387 DUZRXSPZMXQXOR-HNNXBMFYSA-N 307.394 -0.162 30 20 DBED C=CCOCC(=O)N1CCC(CN[C@H]2CCC(=O)NC2=O)CC1 1204793974 SJXCYPNOWQGUGT-ZDUSSCGKSA-N 323.393 -0.178 30 20 DBED COCC#CCN1C[C@@H](NC(=O)Cc2n[nH]c(C)n2)[C@H](C)C1 1206942288 ARXWPCGMODPSLX-DGCLKSJQSA-N 305.382 -0.258 30 20 DBED N#CCN[C@@H]1CCCN(C(=O)CNC(=O)c2ccncc2)C1 1208130853 GKVIOHKJDQUHEO-CYBMUJFWSA-N 301.350 -0.084 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)COCc1cc(C)no1 1212453256 QRDUTYANIAMVFR-CHWSQXEVSA-N 308.338 -0.161 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)C1(C(=O)N(C)C(C)C)CC1 1213642628 NRQGKBZWGLCJSC-CHWSQXEVSA-N 322.409 -0.028 30 20 DBED Cc1ncc(C(=O)N2C[C@@H](NCC(=O)NCC#N)[C@H](C)C2)n1C 1215397376 YDUZNIITUNXSIY-ZYHUDNBSSA-N 318.381 -0.582 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2CC=CCC2)C1 1219173833 XDYAFDBRGRNOAU-MCIONIFRSA-N 307.394 -0.194 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CN(CC(=O)NCC(C)(C)C)C[C@@H]1O 1219381518 UXRAOFMWPRHYGO-TUAOUCFPSA-N 310.398 -0.530 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)COCc2ccnc(OC)c2)C1 1219871779 FOAQNWUPSUOTPE-KGLIPLIRSA-N 321.377 -0.046 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)CS(=O)(=O)C2CCCC2)C1 1219891901 IGEKEOFEEPBRHJ-NEPJUHHUSA-N 315.395 -0.971 30 20 DBED C=CCC[C@@H](C)N1C[C@H](O)[C@H](NC(=O)c2cn(C)c(=O)cn2)C1 1220037067 HOJJFCYMOKBKQI-BZPMIXESSA-N 320.393 -0.090 30 20 DBED C[C@H](NC(=O)CC(C)(C)C)C(=O)N[C@@H]1CN(CC#N)C[C@@H]1O 1220735478 CELVPDFAJVGCDG-TUAOUCFPSA-N 310.398 -0.388 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)CNC(=O)C(CC)CC)C1 1221213938 KJUDZTDQMQJQRL-KGLIPLIRSA-N 309.410 -0.277 30 20 DBED CC(C)OCC(=O)N1C[C@H]2CCN(CC(=O)NCC#N)C[C@H]21 1221404152 XMTFTQNVUGXWDP-CHWSQXEVSA-N 308.382 -0.416 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@@H]2CN(C(=O)CC(C)(C)O)[C@@H]2C1 1221514003 DGCMQBUHUGFOIR-MGPQQGTHSA-N 321.421 -0.182 30 20 DBED CC(C)C#CC(=O)N1C[C@H]2CCN([C@@H]3CCC(=O)NC3=O)C[C@H]21 1221533831 TXDNCDWMECTGMU-MGPQQGTHSA-N 317.389 -0.016 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)Cc3cnc[nH]3)[C@@H]2C1 1221835195 ARBJXMQQIITENH-TZMCWYRMSA-N 315.377 -0.766 30 20 DBED CCS(=O)(=O)NCC(=O)N1CC[C@H]2CCN(CC#N)[C@H]2C1 1222810835 YZLJDCKCDRQTAB-NEPJUHHUSA-N 314.411 -0.628 30 20 DBED C#CCN1CCC(CNC(=O)CS(=O)(=O)CCOC)CC1 1223628631 XDPOHNDMIWIBBO-UHFFFAOYSA-N 316.423 -0.491 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC(NC(=O)[C@H](C)NC(C)=O)CC1 1225964275 OFCXBPJIZOGMPW-NWDGAFQWSA-N 322.409 -0.771 30 20 DBED C=CCO[C@@H](C)C(=O)NC1CCN(CC(=O)NCC#N)CC1 1230407749 XHCDNYCBJREXBU-LBPRGKRZSA-N 308.382 -0.202 30 20 DBED C=CCNC(=O)[C@H](C)N(C)CCCNC(=O)CNC(=O)C1CC1 1234398805 YGQGOBZJQTVJAH-LBPRGKRZSA-N 324.425 -0.359 30 20 DBED N#CCCCCNC(=O)C(=O)NCCNC(=O)c1cccnc1 1257050553 HKNLNVLAECZKMX-UHFFFAOYSA-N 317.349 -0.262 30 20 DBED C#CCSCCNC(=O)C(=O)NCC1([S@@](C)=O)CC1 1261092993 WNVGLSHFFNEDGI-LJQANCHMSA-N 302.421 -0.504 30 20 DBED Cc1cc(C[C@H](C)NC(=O)C(=O)N2CC[C@](O)(CC#N)C2)n[nH]1 1261468730 LIHIKEKPBLKACU-ZUZCIYMTSA-N 319.365 -0.358 30 20 DBED C#CCCCCNC(=O)C(=O)N1CC[C@@H](N2CCOC2=O)C1 1261701108 YEJGXODXPJBCFI-GFCCVEGCSA-N 307.350 -0.041 30 20 DBED C#CCNCC(=O)NCc1ccc(S(=O)(=O)NCC)cc1 1263091003 AMIHSXWRUJZPKE-UHFFFAOYSA-N 309.391 -0.176 30 20 DBED COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)NCCC#N 1320923095 SLPCJTGONSCYBM-UHFFFAOYSA-N 313.335 -0.005 30 20 DBED CN1CCC(C#N)(NC(=O)CCCN2C(=O)CN(C)C2=O)CC1 1321606852 QLKUIXNGUGBJTO-UHFFFAOYSA-N 321.381 -0.235 30 20 DBED N#CCn1cc(NC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)cn1 1322805834 RUMPZKBGGBSVGN-GFCCVEGCSA-N 316.365 -0.054 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N(C)CCC1CC1 1324423952 QLLNSNJDXXNIJK-UHFFFAOYSA-N 302.396 -0.038 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N1CC[C@@H](OCCOC)C1 1325475218 OYHPKPZIZXWLIU-NWDGAFQWSA-N 300.355 -0.433 30 20 DBED C#C[C@H](NC(=O)C(=O)NC[C@H](C)C(=O)OC(C)C)[C@@H]1CCCO1 1327045317 JSDNDFCAOIHNOQ-AVGNSLFASA-N 324.377 -0.013 30 20 DBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C[C@H]1CC(=O)N1 1328169755 FOKIUCOOFVTNAW-GHMZBOCLSA-N 314.349 -0.336 30 20 DBED C=C[C@H](O)C(=O)N1CCC(C(=O)OCC)(S(C)(=O)=O)CC1 1330833796 YPVBCGZXITVANW-JTQLQIEISA-N 319.379 -0.498 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)NC[C@]1(OC)CCOC1 1333014781 ZPAVANSBDFCCND-IUODEOHRSA-N 312.366 -0.547 30 20 DBED C=CCn1c([C@H]2CNC(=O)C2)nnc1N1CCNC(=O)[C@@H]1CC 1339609652 ONPIZPDZBGKDCJ-MNOVXSKESA-N 318.381 -0.218 30 20 DBED O=C(CCN/C(O)=C1\N=CC=CC1=O)OCCN1CCOCC1 1339879609 ZUMBLEFQYDCPAR-CCEZHUSRSA-N 323.349 -0.222 30 20 DBED C=C(C)Cn1c(-c2cn(C)c(=O)n(C)c2=O)nnc1N(C)OC 1342315037 LZBUSEQSZLTCGN-UHFFFAOYSA-N 320.353 -0.084 30 20 DBED COCCCNC(=O)[C@@H](C#N)C(=O)[C@@H]1CCc2nnn(C)c2C1 1343386577 KOJUSJMQQWXLAS-MNOVXSKESA-N 319.365 -0.218 30 20 DBED C=CCN(C(=O)C(=O)N1C[C@H](C)O[C@@H](CO)C1)[C@@H](C)COC 1347004560 SLTJXPNDPNKDIU-RWMBFGLXSA-N 314.382 -0.356 30 20 DBED CC(C)OC[C@H](CO)N(C)C(=O)Cn1cc(C#N)c(O)nc1=O 1362508761 RKAWCGKSWMCBOS-NSHDSACASA-N 324.337 -0.935 30 20 DBED CN(C)C1(CNC(=O)Cn2cc(C#N)c(O)nc2=O)CCC1 1362624799 LRCFHLQMCXKITN-UHFFFAOYSA-N 305.338 -0.579 30 20 DBED CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)Nc1ccnc(C#N)c1 1364410046 UZDAEEKEBRYVRX-MNOVXSKESA-N 310.335 -0.113 30 20 DBED C=C(Br)CNC(=O)NC[C@H]1CC(C(N)=O)=NO1 1367854196 MMQBTKKEPFBGES-ZCFIWIBFSA-N 305.132 -0.176 30 20 DBED COc1nn(C)cc1C(=O)NCC1(NC(=O)[C@@H](C)C#N)CC1 1379014744 IIBXDQKIEDNVGE-VIFPVBQESA-N 305.338 -0.033 30 20 DBED CC(=O)NCC(=O)N1CCC(NC(=O)c2ccc(C#N)[nH]2)CC1 1385331376 MPEZWZKOIUBYAB-UHFFFAOYSA-N 317.349 -0.257 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]1CN(C)C(=O)CCc1nc[nH]n1 1396478200 OKAHXJWLHUGIAY-GHMZBOCLSA-N 304.354 -0.044 30 20 DBED CC(=O)N1CC(C(=O)N(C)C2CC(NC(=O)[C@@H](C)C#N)C2)C1 1405835340 RSTVJJPYZFIUPI-ALXWSUNGSA-N 306.366 -0.270 30 20 DBED N#Cc1cn(CC(=O)N2CCC3(CCOCC3)C2)c(=O)nc1O 1412596180 ZVUJAUNJALHRLZ-UHFFFAOYSA-N 318.333 -0.150 30 20 DBED CC(C)C[C@H](CNC(=O)[C@@H](C)C#N)NC(=O)CS(C)(=O)=O 1416502444 ITCMHDGBSRVTLD-WDEREUQCSA-N 317.411 -0.162 30 20 DBED C=C(Cl)CN(C)CCNC(=O)c1cn(C)c(=O)nc1O 1418523258 MQJSBSBIQNHHAZ-UHFFFAOYSA-N 300.746 -0.100 30 20 DBED CS(=O)(=O)N1CC(CNS(=O)(=O)CC2(CC#N)CC2)C1 1423985730 VYGHVCNRVOVAEQ-UHFFFAOYSA-N 321.424 -0.509 30 20 DBED CC[C@H](NC(=O)Cn1cc(C#N)c(O)nc1=O)[C@H](O)C(C)C 1434090139 HNXFGGURZTYNTF-CMPLNLGQSA-N 308.338 -0.268 30 20 DBED CCc1nnsc1C(=O)NCCn1cc(C#N)c(O)nc1=O 1434206407 FWAUXGVGYDEIIO-UHFFFAOYSA-N 320.334 -0.336 30 20 DBED C=C(Cl)CNC[C@H](O)CN(C)C(=O)[C@@H]1CCCN1C(N)=O 1442066026 WLDRZHQZZIFPRF-QWRGUYRKSA-N 318.805 -0.309 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)N2C[C@@H](O)[C@H](CO)C2)cc1 1451188496 RHMFICVJNXGXEO-QWHCGFSZSA-N 303.318 -0.900 30 20 DBED CC(=O)N[C@H](C(=O)NCCn1cc(C#N)c(O)nc1=O)C(C)C 1470361709 SPHJGHGTDXCXGU-NSHDSACASA-N 321.337 -0.903 30 20 DBED CC(C)[C@H](CNC(=O)CS(C)(=O)=O)NC(=O)[C@@H](C)C#N 1500760727 MZLTZSFIGQRODE-UWVGGRQHSA-N 303.384 -0.552 30 20 DBED COC(=O)[C@@H]1CCN(c2cnc(C#N)c(-c3nn[nH]n3)n2)C1 1579443227 OXTJVLHMDAKPSJ-SSDOTTSWSA-N 300.282 -0.472 30 20 DBED N#C[C@H]1CNCCN1C(=O)c1ccc(S(N)(=O)=O)cc1F 1580044871 LGLVZBUPVHSKLN-QMMMGPOBSA-N 312.326 -0.589 30 20 DBED N#C[C@H]1CNCCN1C(=O)c1ccnc(N2CCOCC2)n1 1580045890 YBNJAJZTSGNGBE-NSHDSACASA-N 302.338 -0.749 30 20 DBED C#C[C@@H](NC(=O)C(=O)N1C[C@@H](C)[C@H](CC(=O)O)C1)[C@H]1CCCO1 1588370494 FJAZAEQBNPDOJZ-FDYHWXHSSA-N 322.361 -0.147 30 20 DBED C#CCN(CC(=O)O)C(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1 1588398830 CTKDEGKNFBKCJW-JTQLQIEISA-N 304.306 -0.681 30 20 DBED C#CCNC(=O)CN(C)C1CCN(C(=O)[C@H]2C[C@@H]2C(=O)O)CC1 1588483921 MRPDOTIGIJFVIZ-STQMWFEESA-N 321.377 -0.621 30 20 DBED C#CCO[C@H](C)C(=O)N(C)[C@@H](C)CN=c1cc[nH]c(C(=O)O)n1 1588489742 BYIUTWSSYNDKOD-WDEREUQCSA-N 320.349 -0.106 30 20 DBED C=CCOC[C@H](NC(=O)c1ccn(CCN(C)C)n1)C(=O)O 1588861787 MFPUDIIGXVIGBC-LBPRGKRZSA-N 310.354 -0.170 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)NC[C@H]1[C@@H](C(=O)O)C1(F)F 1589330495 HJZPMPNPOYFILP-CSMHCCOUSA-N 311.310 -0.122 30 20 DBED N#Cc1cncc(NCCNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)n1 1592704461 NRFITSIKNUMRSL-UHFFFAOYSA-N 324.308 -0.302 30 20 DBED CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)C(=O)NCCC(=O)O 1604124790 QQZALQDUURWPTE-GFCCVEGCSA-N 319.317 -0.359 30 20 DBED CN1CCOC[C@@H]1CNc1cnc(-c2nn[nH]n2)c(C#N)n1 1604867476 LMCHYCCUZYVDDF-QMMMGPOBSA-N 301.314 -0.729 30 20 DBED CCN(C[C@H](C)C#N)C(=O)Cn1cnc(C#N)c1-c1nn[nH]n1 1609221505 FNRJKDBGQUQIJL-SECBINFHSA-N 313.325 -0.057 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H]2CC(=O)O)C1=O 1609373485 CJQGIJPAVUYWJW-SECBINFHSA-N 323.305 -0.571 30 20 DBED CC(=O)N1CC(C(=O)NS(=O)(=O)c2ccc(C#N)cc2)C1 1647153969 OEBUUHGZFZCXSZ-UHFFFAOYSA-N 307.331 -0.159 30 20 DBED N#Cc1ncn(CC(=O)N[C@H]2CCCc3c2cnn3CCO)n1 1649731586 HTYZWFBBXLSIMB-NSHDSACASA-N 315.337 -0.468 30 20 DBED CN(CCNCc1cc(C#N)ccc1F)C(=O)[C@H]1CNC(=O)N1 1753225746 BENNZAJQSMISDN-CYBMUJFWSA-N 319.340 -0.073 30 20 DBED C=CCN(C)C[C@@H]1CCN(C(=O)CCS(=O)(=O)NC)C1 1753349562 RMTCXGGZBUDRFD-LBPRGKRZSA-N 303.428 -0.108 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H](CNC(=O)c1[nH]nnc1C)C(C)C 1753834002 ICRYSOGJJKQXKU-RYUDHWBXSA-N 320.397 -0.405 30 20 DBED C=CCN1CC[C@@H](NC[C@@H](C)NC(=O)CNC(=O)CC)C1=O 1754219385 KGDATTPECKMCCJ-VXGBXAGGSA-N 310.398 -0.606 30 20 DBED CC(C)NC(=O)CN(C)CC(=O)N1CC[C@@H](NCC#N)C[C@H]1C 1754595682 AUGBPLYSQKOARS-ZIAGYGMSSA-N 323.441 -0.065 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@]1(O)CCN(CC#CC)C1 1754753934 KDVKAHIHRGBVNB-DOTOQJQBSA-N 303.406 -0.340 30 20 DBED C#CCCN1CCC[C@@](CO)(NC(=O)CN2CCOCC2)C1 1754853749 GJXMZQZHNUASHF-MRXNPFEDSA-N 309.410 -0.715 30 20 DBED CC#CCN1CCC[C@@](CO)(NC(=O)C[C@@H]2CC(=O)NC2=O)C1 1754859834 DTLYYSAZKKJPPE-BLLLJJGKSA-N 321.377 -0.994 30 20 DBED C=CCNC(=O)[C@H](C)N1CCC2(CC1)CN(C(=O)C(N)=O)C2 1754960299 DZYHEYXOKMKPIY-NSHDSACASA-N 308.382 -0.913 30 20 DBED C#CCCN[C@@]1(CO)CCCN(C(=O)CN2C(=O)CCC2=O)C1 1755090591 BWIHXNLYQMFOHP-INIZCTEOSA-N 321.377 -0.898 30 20 DBED C=CCCN1CC[C@H](NC(=O)CNS(=O)(=O)NC)C[C@@H]1C 1755162756 YUFIRPCSPOUSGM-RYUDHWBXSA-N 318.443 -0.415 30 20 DBED C#CCOCCC(=O)N[C@@H](C)C1CN([C@@H](C)C(=O)NC(N)=O)C1 1755375294 YDHVCEZEXCKTBA-QWRGUYRKSA-N 324.381 -0.954 30 20 DBED COCC#CCN[C@H](C)[C@@H]1CN(C(=O)C2=COCCO2)CCO1 1755438839 LPTKBYGSQHBJJJ-KGLIPLIRSA-N 324.377 -0.270 30 20 DBED C#CCN[C@H]1C[C@@H](C)N(C(=O)CCC(=O)N2CCOCC2)C1 1755690452 WGXOIQVORGKXEP-KGLIPLIRSA-N 307.394 -0.162 30 20 DBED CCC(=O)NCC(=O)N(C)[C@H](C)CNC(=O)CSCC#N 1756005579 JUQBWAZIDNBEHT-SNVBAGLBSA-N 314.411 -0.268 30 20 DBED C#CCCCCC(=O)NC[C@H](CO)NC(=O)[C@@H]1CCN(C)C1 1756514017 QVOIFNJKSUCCLW-ZIAGYGMSSA-N 309.410 -0.275 30 20 DBED C#CCOCCC(=O)N1C[C@H](O)[C@H](NC(=O)[C@]2(C)CCOC2)C1 1757203441 DQJFRLPLDIOHBR-DVOMOZLQSA-N 324.377 -0.859 30 20 DBED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ncon1)C2 1781695800 GKEDNLMMENANEY-IAQYHMDHSA-N 318.333 -0.170 30 20 DBED N#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn[nH]c1)C2 1795418488 XRMOGCICVMNHAY-DABQJJPHSA-N 317.349 -0.083 30 20 DBED CC[C@H](NC(N)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CC#N)C2 1796757112 GQWNAPDBIVBBQH-USZNOCQGSA-N 321.381 -0.015 30 20 DBED C[C@H](S)C(=O)N1CCCC12CN(C(=O)c1c[nH]c(=O)cn1)C2 1846369716 YUBNXESNZPHBGD-VIFPVBQESA-N 322.390 -0.095 30 20 DBED C[C@@H](NC(=O)CN1CCOC[C@@H]1C#N)C(=O)N1CCCCC1 81164378 KFGJOWOTRVKQEY-OLZOCXBDSA-N 308.382 -0.272 30 20 DBED C=CCNC(=O)N1CCN([C@H](C)C(=O)N2CCOCC2)CC1 114907969 QGEXYODCYNGACU-CYBMUJFWSA-N 310.398 -0.253 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(C)[C@@H]2CCC[C@H]2O)C1=O 288249511 FAQHDFGPCKYNIB-NXEZZACHSA-N 309.322 -0.665 30 20 DBED CC(=O)N1CCN(C(=O)CC/N=C(/O)C2CN(C(C)=O)C2)CC1 328678753 SXRFPWPKLOTYQR-UHFFFAOYSA-N 324.381 -0.498 30 20 DBED C[C@@H]1CCN(/C(O)=N/C[C@@H]2CN(C)CCO2)CCS1(=O)=O 330227571 CAIAMTAGGWVHTN-VXGBXAGGSA-N 319.427 -0.260 30 20 DBED C=CCN1CC[C@H](N2CCN(S(=O)(=O)CC)CC2)C1=O 330386247 LZYSCNOJMLYOFW-LBPRGKRZSA-N 301.412 -0.259 30 20 DBED C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccnn1C 330926870 WCMGKALTCIFVFG-JTQLQIEISA-N 319.408 -0.216 30 20 DBED CC(C)OCCS(=O)(=O)NCC(=O)N1CCO[C@H](C#N)C1 331068301 ZQJFPULEJRBWFO-LLVKDONJSA-N 319.383 -0.918 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)NCc1cc(C(N)=O)no1 336905344 SXTNIKXLXITBLZ-QMMMGPOBSA-N 315.355 -0.411 30 20 DBED CCN(CCC#N)S(=O)(=O)NCC1(CS(C)(=O)=O)CC1 337070309 NUAWAQATWMAAHS-UHFFFAOYSA-N 323.440 -0.119 30 20 DBED COCCN(CCC#N)S(=O)(=O)N(C)C(C)(C)C(=O)OC 337082665 ZVZQBNLCTHQFAO-UHFFFAOYSA-N 321.399 -0.023 30 20 DBED C=CCCOCCNC(=O)N(C)C[C@H](O)CN1CCOCC1 339908503 QUNXMVLAUFTOGX-AWEZNQCLSA-N 315.414 -0.086 30 20 DBED N#Cc1ccsc1NC(=O)C(=O)NCC(=O)N1CCOCC1 340163016 INTDTYVEKXVZLU-UHFFFAOYSA-N 322.346 -0.467 30 20 DBED CC(C)[C@H](C#N)N1CCN(C(=O)CN2C[C@H](C)[C@@H](O)C2)CC1 341144237 MTPUFQVTQFUJBL-KKUMJFAQSA-N 308.426 -0.009 30 20 DBED N#Cc1cccc(CCNC(=O)CN2CCS(=O)(=O)CC2)c1 341753074 COIDRRHDOIQWFJ-UHFFFAOYSA-N 321.402 -0.053 30 20 DBED N#Cc1ncn(CCNC(=O)CNC(=O)c2cccc(O)c2)n1 342888806 CZGGBCGCWPDTHV-UHFFFAOYSA-N 314.305 -0.598 30 20 DBED C=CCNC(=O)CNS(=O)(=O)c1cccc(-n2cnnn2)c1 346555267 BJKSWAHHHUQVDL-UHFFFAOYSA-N 322.350 -0.757 30 20 DBED CC1=CCCN(S(=O)(=O)CCCS(=O)(=O)NCC#N)C1 349463378 UUEHFGGBDCROPQ-UHFFFAOYSA-N 321.424 -0.199 30 20 DBED C[C@H](C#N)C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 357818179 CEFVCTBUNFVAOU-GFCCVEGCSA-N 316.365 -0.209 30 20 DBED C[C@H](NC(=O)CS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)C 359204284 WZWVSEBLRNUGKC-JTQLQIEISA-N 323.374 -0.075 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCNC(=O)C1(C)C 407954788 HSIASHYPJMNAFQ-SNVBAGLBSA-N 302.400 -0.077 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N1C[C@@H](CO)OC(C)(C)C1 420747172 JXRKWBBDABYVIN-QWRGUYRKSA-N 305.400 -0.063 30 20 DBED COC(=O)CN(CC#N)C(=O)CCn1c(C)cc(O)cc1=O 438009448 IXCYZMLJOOGXPM-UHFFFAOYSA-N 307.306 -0.222 30 20 DBED CCN1C[C@H](NS(=O)(=O)N(CC)C[C@@H](C)C#N)CC1=O 451863518 FRXUDASCUOPAPF-WDEREUQCSA-N 302.400 -0.077 30 20 DBED C=CCCCS(=O)(=O)NCc1cn(CC(=O)OC)nn1 489693154 CVXTWYYVHKNEAY-UHFFFAOYSA-N 302.356 -0.163 30 20 DBED C#CCNS(=O)(=O)c1ccc(C(=O)NCCC(N)=O)cc1 490689141 NIPXNKBVFVHSFK-UHFFFAOYSA-N 309.347 -0.797 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@@H](C)n2cccn2)CC1 491166464 RRADSMRJHIVFAJ-CYBMUJFWSA-N 303.366 -0.662 30 20 DBED C#CCNS(=O)(=O)CCCS(=O)(=O)N(C)C(C)(C)C#N 491767744 GZVKKGVRGVOTCM-UHFFFAOYSA-N 321.424 -0.507 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)C2(OC)CCOCC2)CC1 491777191 WRVSVHMSZWTDCJ-UHFFFAOYSA-N 323.393 -0.924 30 20 DBED CN(C)[C@@H]1CCCN(C(=O)C(=O)NC2CCN(CC#N)CC2)C1 588125774 LFDGXRMBUOGRLW-CQSZACIVSA-N 321.425 -0.357 30 20 DBED COC[C@@H](NC(=O)C(=O)NC1CCN(CC#N)CC1)C(C)C 588127317 CBEQNNURQUAGMP-CYBMUJFWSA-N 310.398 -0.122 30 20 DBED CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)N2CC[C@](O)(CC#N)C2)O1 591998121 ATWDMYFOIDVFBB-SLEUVZQESA-N 324.381 -0.318 30 20 DBED CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)N2CC[C@@](O)(CC#N)C2)O1 591998125 ATWDMYFOIDVFBB-XUJVJEKNSA-N 324.381 -0.318 30 20 DBED CC#CC[C@H](CO)NS(=O)(=O)N1CCC[C@@H]1C(=O)OCC 592110389 CGXUNSPBMPWLGF-VXGBXAGGSA-N 318.395 -0.377 30 20 DBED COC(=O)[C@@H]1C[C@H](O)CN(CC(=O)N[C@](C)(C#N)C(C)C)C1 592209073 QWEPGZYFJUSMDD-TYNCELHUSA-N 311.382 -0.103 30 20 DBED CC(=O)N[C@@H]1CCCN(C(=O)Cn2ccc(C#N)cc2=O)C1 596328131 IPWHFKLRWUHJTQ-CYBMUJFWSA-N 302.334 -0.153 30 20 DBED CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)NCC1(C#N)CCC1 596633069 VQVDMUBWBXHTHE-ZJUUUORDSA-N 301.368 -0.209 30 20 DBED N#CCN1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2O)CC1 597273189 HGSYSJWEISCJPH-UHFFFAOYSA-N 324.362 -0.679 30 20 DBED CC(C)(C#N)CNC(=O)N=c1nc(CS(C)(=O)=O)[nH]o1 613206047 CPAOIZURPZOSSV-UHFFFAOYSA-N 301.328 -0.293 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCCOCCF)C1=O 621088706 GOGJGBXVHTXLHO-UHFFFAOYSA-N 301.274 -0.935 30 20 DBED C=CCOC[C@@H]1NC(=O)N(CCCN(C)S(C)(=O)=O)C1=O 672060743 AFDFMYFDURUPQM-JTQLQIEISA-N 319.383 -0.609 30 20 DBED CC(=O)N1C[C@H](C(=O)OCC(=O)NCC#N)Oc2ccccc21 731236530 WKCWFUZZUXFSLZ-CYBMUJFWSA-N 317.301 -0.017 30 20 DBED COC1CN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 733881448 OBPKZDGIOVOFIE-UHFFFAOYSA-N 309.347 -0.418 30 20 DBED C#CCOCCNC(=O)CCNS(=O)(=O)c1cccnc1 753233444 XYXGZLSTCUJJKB-UHFFFAOYSA-N 311.363 -0.484 30 20 DBED C#C[C@H](CC)NC(=O)N1CCN(S(=O)(=O)N(C)C)CC1 753244107 XCPYBVJUOATJDG-LLVKDONJSA-N 302.400 -0.468 30 20 DBED C#CCOCCNC(=O)N1CC[C@H](n2cc(C(=O)OC)nn2)C1 760689858 NNAGSLXJMCKYDI-NSHDSACASA-N 321.337 -0.329 30 20 DBED C#CCCN(CC(F)(F)F)C(=O)CNC(=O)CNC(C)=O 767166982 WJGJWLWQMGKJMS-UHFFFAOYSA-N 307.272 -0.347 30 20 DBED N#Cc1c(N2CCC[C@H](C(N)=O)C2)cccc1S(N)(=O)=O 784553470 CADXYOKMFANWKK-VIFPVBQESA-N 308.363 -0.093 30 20 DBED COC[C@@H](NC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)C(N)=O 791671418 MNEWMPMRYCWIEP-CHWSQXEVSA-N 300.318 -0.143 30 20 DBED C#CCCS(=O)(=O)NC[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O 808299827 RBJXKMFUNQTAOS-GXFFZTMASA-N 313.379 -0.350 30 20 DBED C#CCOc1ccc(NC(=O)C(=O)N[C@@H](C)C(=O)NC)cc1 815753188 VUJKFLQWVVABBS-JTQLQIEISA-N 303.318 -0.112 30 20 DBED C#Cc1cccc(CNC(=O)C(=O)NCCOCCN(C)C)c1 817835490 MXRPNRRYPBEOSY-UHFFFAOYSA-N 317.389 -0.022 30 20 DBED C=CCn1cc(CNC(=O)C2=NN(CCO)C(=O)CC2)nn1 819606736 SLCAFGAUKVCUQH-UHFFFAOYSA-N 306.326 -0.949 30 20 DBED C[C@H]1CC(=NC(=O)CNS(=O)(=O)c2ccccc2N)NO1 831398377 BDTJQQYQNVBVFA-QMMMGPOBSA-N 312.351 -0.214 30 20 DBED N#C[C@@H]1CNC[C@@H]1NC(=O)CCNC(=O)Cc1ccccc1 834516983 OLKFZRIYEGFUIR-KGLIPLIRSA-N 300.362 -0.037 30 20 DBED C#CCN1CCN(C(=O)CN2CC[C@@H](C(=O)OC)[C@@H](C)C2)CC1 852651449 CPVCTAPVXMODSA-LSDHHAIUSA-N 321.421 -0.105 30 20 DBED C#CCONC(=O)[C@@](C)(O)CN1C(=O)NC2(CCCC2)C1=O 855607230 ZYCNVRHXBASUNQ-ZDUSSCGKSA-N 309.322 -0.717 30 20 DBED C#CCCCNC(=O)C(=O)NCCCN1CCCS1(=O)=O 875240073 PPXJOUJKWWOVIV-UHFFFAOYSA-N 315.395 -0.942 30 20 DBED C#CC[C@@H](CO)NC(=O)[C@@H]1CCC[C@H]1C(=O)N[C@H](CO)CC#C 908312471 BYSNCBVOMNEVGU-BYNSBNAKSA-N 320.389 -0.597 30 20 DBED Cn1nncc1C(=O)N1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 937843885 BXVHLUZGOBAPRQ-JTQLQIEISA-N 313.321 -0.341 30 20 DBED O=C(N[C@H]1CCN(C(=O)C#CC2CC2)C1)[C@@H]1CCS(=O)(=O)C1 938259474 LUMIXQLDMNPITA-OLZOCXBDSA-N 324.402 -0.448 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](N(C)C(=O)c2cnc(O)n2C)C1 939409236 FAEBRLUFDRMGJF-NXEZZACHSA-N 305.338 -0.042 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CCN(C(=O)[C@H]3COCCO3)C2)c[nH]1 940095292 OXYUKIIESYGWBE-DGCLKSJQSA-N 318.333 -0.368 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)CN2CCNC(=O)C2)[C@@H](C)C1 942560848 XYHWAIASWUMFIE-UONOGXRCSA-N 308.426 -0.179 30 20 DBED CN1CC[C@H](C(=O)NC[C@H]2CN(C(=O)C#CC3CC3)CCO2)C1 944596825 NJGDLFIFIQIUSE-GJZGRUSLSA-N 319.405 -0.305 30 20 DBED C=C1CC(C)(C(=O)N2C[C@H]3C[C@H]2[C@H]3NC(=O)Cn2ncnn2)C1 947215265 IZSFNQZUFZIZMX-MDZLAQPJSA-N 316.365 -0.255 30 20 DBED N#Cc1cc(C(=O)NC[C@H]2CCN2C(=O)Cc2nc[nH]n2)c[nH]1 949497319 HESLWKSIDRIXJB-LLVKDONJSA-N 313.321 -0.422 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)CC(N)=O)C1 950261288 ZPIVBUTUAMBCSM-OLZOCXBDSA-N 320.393 -0.933 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H](NC(=O)c2c[nH]c(=O)cn2)C1 951868115 PTNVRNSVIUJRRR-ZJUUUORDSA-N 303.322 -0.350 30 20 DBED CN(C(=O)c1c[nH]c(C#N)c1)C1CN(C(=O)c2cn(C)nn2)C1 954106689 DQOBKMIEUCCWDN-UHFFFAOYSA-N 313.321 -0.389 30 20 DBED Cn1nc2c(c1C(=O)NC[C@@H]1CN(CC#N)C[C@@H]1O)CCCC2 958100399 ADJRRNKJISYQQI-RISCZKNCSA-N 317.393 -0.155 30 20 DBED C=CCN1C[C@H](CNC(=O)c2cnn3ncccc23)[C@@H](O)C1 958134502 FETYRVAUBTXJDB-FZMZJTMJSA-N 301.350 -0.062 30 20 DBED C#CCN1C[C@H](CNC(=O)c2cnc(O)cc2OC)[C@@H](O)C1 958409785 WRRZTUZNEYNAEA-JQWIXIFHSA-N 305.334 -0.549 30 20 DBED CC#CCN1C[C@H](CNC(=O)c2nc3ncccn3n2)[C@@H](O)C1 958506398 DMSOOSVZCUJQEM-RYUDHWBXSA-N 314.349 -0.830 30 20 DBED Cn1cnnc1CN1C[C@H]2C(NC(=O)c3ccc(C#N)[nH]3)[C@@H]2C1 958601716 IXWOVPHFKWUDAT-GHMZBOCLSA-N 311.349 -0.125 30 20 DBED CC#CCN1C[C@@H](O)[C@H](CNC(=O)c2cncc(C(N)=O)c2)C1 958692552 BJTWHMDSXRCPJJ-ZIAGYGMSSA-N 316.361 -0.774 30 20 DBED C[C@H](C#N)C(=O)N1CCOC2(CN(C(=O)c3cnns3)C2)C1 965467898 CYHKIWDYCYPLGF-SECBINFHSA-N 321.362 -0.249 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@H](N(C)C(=O)Cn2ncnn2)CC1 967562313 WYLSVDZGXACGBJ-NEPJUHHUSA-N 319.369 -0.328 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@H]1CCNC1=O 969164506 UHJOINXGUXFQIF-QNWHQSFQSA-N 318.377 -0.126 30 20 DBED C[C@@H](NC(=O)c1c[nH]c(C#N)c1)C1CN(Cc2nnn(C)n2)C1 969526121 JPDXAFVSBYIPCT-SECBINFHSA-N 314.353 -0.340 30 20 DBED CO[C@H]1C[C@H](C(=O)N[C@H](C)C2CN(CC#N)C2)N(C(C)=O)C1 970217276 OLZCXUPVWRNSMK-DDTOSNHZSA-N 308.382 -0.418 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](N(C)CCN2C(=O)CCC2=O)C1 971211984 WCIUYCNVABTOSJ-NWDGAFQWSA-N 306.366 -0.172 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)c3cnn(C)c3N)C2)C1 972355319 LQVMTZNTGLFPID-OAHLLOKOSA-N 303.366 -0.448 30 20 DBED C[C@@H](NCc1cnn(C)n1)[C@H]1CN(C(=O)C#CC2CC2)CCO1 979330738 KBQLLOMWTKPWSC-IUODEOHRSA-N 317.393 -0.066 30 20 DBED CN1CCOC[C@H]1C(=O)N1CC(NC(=O)c2cc(C#N)c[nH]2)C1 990695724 MUUURIKNRHXLTK-ZDUSSCGKSA-N 317.349 -0.842 30 20 DBED C=C1CCC(C(=O)N2CC[C@H](NC(=O)C(N)=O)[C@H](O)C2)CC1 991722128 ADXWQUZWKNMVOV-NWDGAFQWSA-N 309.366 -0.704 30 20 DBED Cn1cc(C(=O)N[C@@]23CCC[C@@H]2N(CC#N)CC3)c(O)nc1=O 992496949 OVOSXTMNMKWRIA-XHDPSFHLSA-N 317.349 -0.264 30 20 DBED C#CCN[C@@H]1CCC[C@@H]2CN(C(=O)Cn3ncn(C)c3=O)C[C@H]21 992739793 LCEQBPWCLKMEGT-MGPQQGTHSA-N 317.393 -0.568 30 20 DBED CC#CCN1CCC[C@@H](NC(=O)Cn2c(O)nnc2O)[C@@H]1C 994295489 LSMWVYYXYUQDTN-WDEREUQCSA-N 307.354 -0.318 30 20 DBED C=C[C@@](C)(CC)C(=O)N1CC(NC(=O)C[C@@H]2NC(=O)NC2=O)C1 994735326 PREWXXXBQDKPDI-BONVTDFDSA-N 322.365 -0.486 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC(NC(=O)[C@H]3CCC(=O)NC3)C2)c1 995139196 NSRYPNMZNGLVPX-JTQLQIEISA-N 315.333 -0.647 30 20 DBED N#CCN1CC[C@@H](n2cc(CNC(=O)c3cnn[nH]3)nn2)C1 1000001608 CZTMTCYUKYVSJE-SNVBAGLBSA-N 301.314 -0.903 30 20 DBED C[C@@H](C(=O)NC1CN(C(=O)C#CC2CC2)C1)[C@@H]1CCC(=O)N1 1000345513 HEXATGGNSONLQP-MFKMUULPSA-N 303.362 -0.359 30 20 DBED C#CCN1CC=C(CNC(=O)[C@@H]2CCN(C)S2(=O)=O)CC1 1001254164 IOBJLNFZYRXGKS-ZDUSSCGKSA-N 311.407 -0.598 30 20 DBED CC1(C)CC(=O)N(CC(=O)NC2CCN(CC#N)CC2)C1=O 1002815195 KBVSUOMQDDUZNN-UHFFFAOYSA-N 306.366 -0.124 30 20 DBED C[C@@H](C#N)C(=O)N1CC(CNC(=O)[C@H]2CCN(C)C(=O)C2)C1 1003065118 YHHFBWHRWFUHSV-JQWIXIFHSA-N 306.366 -0.411 30 20 DBED CC1(C)CN(C(=O)CC(N)=O)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 1008017894 WPXLMBLAZRNYKM-LLVKDONJSA-N 317.349 -0.271 30 20 DBED N#Cc1cc(C(=O)N2CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)c[nH]1 1011027732 AWJVOLABQXSKJX-LBPRGKRZSA-N 315.333 -0.551 30 20 DBED C[C@H]1C[C@H](NC(=O)c2c[nH]c(=O)cn2)CN1C(=O)C#CC1CC1 1012590901 MVNHQRBRQBAFEY-JQWIXIFHSA-N 314.345 -0.098 30 20 DBED C=C(C)CN[C@H]1CCN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 1019529567 XTZVCWLNQVBFIN-NSHDSACASA-N 316.365 -0.162 30 20 DBED C#CCN[C@H]1C[C@@H](NC(=O)Cn2nc3n(c2=O)CCCC3)C1 1022942903 ZPDJDZOVWUAFKL-TXEJJXNPSA-N 303.366 -0.749 30 20 DBED C#CCCN1CCC[C@H]1CNC(=O)c1cnc(O)n(C)c1=O 1028069392 HQXONSKFSNAILU-NSHDSACASA-N 304.350 -0.297 30 20 DBED Cn1nnnc1CN1CC[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1 1028489790 BOGDXYFIDIFZSB-SNVBAGLBSA-N 314.353 -0.338 30 20 DBED C=CCOc1cccnc1C(=O)NC1CN([C@H](C)C(N)=O)C1 1031231608 DRFIZGWNYZCVFL-SNVBAGLBSA-N 304.350 -0.066 30 20 DBED C#CCCN1CCCC[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)C1 1034523795 OJZIKWFOXGHJJX-CYBMUJFWSA-N 320.393 -0.126 30 20 DBED C=C(Cl)CN1CCO[C@H](CNC(=O)[C@H]2CN(C)CCO2)C1 1035328139 QIZZNBDSBFNSRF-CHWSQXEVSA-N 317.817 -0.114 30 20 DBED Cc1cc(=O)c(C(=O)NC[C@H]2CN(CC#N)CCO2)cn1C 1035412003 KOQXHZMPGVDBEA-LBPRGKRZSA-N 304.350 -0.352 30 20 DBED C=CCCN1CC[C@H]1CNC(=O)[C@@H]1CCN(C)S1(=O)=O 1038801675 NNACXFWAAVBOCW-RYUDHWBXSA-N 301.412 -0.213 30 20 DBED CC(C)C#CC(=O)NC[C@@]1(O)CCN(C(=O)[C@H]2CCOC2)C1 1039664115 KJUCVIREPWTTBN-BBRMVZONSA-N 308.378 -0.238 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)C2=COCCO2)C1 1041327415 ZCFQEAHPOKMUIF-UHFFFAOYSA-N 308.334 -0.777 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)Cc2cncnc2)C1 1042818215 LZYOGFVGCGFQQV-UHFFFAOYSA-N 316.361 -0.488 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)[C@H](C)n2cncn2)C1 1042936194 BRZAXTOXZJFBAF-LBPRGKRZSA-N 319.365 -0.812 30 20 DBED CCc1nc[nH]c1C(=O)N1CC(O)(CNC(=O)C#CC(C)C)C1 1042937883 MOQZJFCRWIZYGI-UHFFFAOYSA-N 318.377 -0.065 30 20 DBED C#CCC1(C(=O)NCC2(O)CN(C(=O)[C@H](O)C(C)C)C2)CCC1 1043346701 AXOZHFWXMLHOOY-CYBMUJFWSA-N 322.405 -0.114 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)c2cnn3c2CCC3)C1 1043522445 SNULTJIVACJOET-SNVBAGLBSA-N 317.349 -0.708 30 20 DBED C=CCCn1cc(C(=O)N(C)C2CN([C@@H](CC)C(N)=O)C2)nn1 1044030040 LDTYQICVNUIZRM-ZDUSSCGKSA-N 320.397 -0.126 30 20 DBED Cc1nn[nH]c1C(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@@H]1O 1044382137 BKHAIGJRHVBWGX-MNOVXSKESA-N 313.321 -0.641 30 20 DBED CC#CCN1CCC(C)(NC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 1045575803 RPXYYBCQXWQFQR-NSHDSACASA-N 306.366 -0.422 30 20 DBED C#CCCN1CC[C@](C)(NC(=O)C2CC3(C2)NC(=O)NC3=O)C1 1046697290 FQNYIBFMGILLMC-AJQRCPHMSA-N 318.377 -0.422 30 20 DBED C=CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(C(N)=O)n2)C1 1047643623 QURZJCJMPNVOMK-KBPBESRZSA-N 318.377 -0.126 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)CN1CCC(=O)NC1=O)C2 1050723305 MXOPPUUDVFBLMY-UHFFFAOYSA-N 318.377 -0.514 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)[C@H]1COCCN1C(C)=O)C2 1050761469 QTIFUTGRXRWFGJ-OAHLLOKOSA-N 319.405 -0.209 30 20 DBED C=C(C)CN1CCOC[C@@H]1CNC(=O)[C@H]1CCCS1(=O)=O 1051253850 CAGUXWSMFYVTDU-QWHCGFSZSA-N 316.423 -0.043 30 20 DBED C#CCN1CC2(C1)CN(C(=O)[C@@H]1CN3CCC1CC3)CCO2 1053259253 MJHJEPKTHIGLGW-OAHLLOKOSA-N 303.406 -0.125 30 20 DBED CCN1CCOC[C@H]1C(=O)NC[C@@H]1CCC2(CN(CC#N)C2)O1 1053620991 YUCVRQLMTBZQGM-KBPBESRZSA-N 322.409 -0.420 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)[C@@H]3CN(CC)CCO3)CO2)C1 1054015081 YINDIWJTKSMJEZ-KBPBESRZSA-N 307.394 -0.700 30 20 DBED COC[C@H](OC)C(=O)N1C[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2C1 1055451398 ZIIANGFIXUENLO-RVMXOQNASA-N 309.366 -0.276 30 20 DBED CO[C@H](C)C(=O)NC1CCN(CCNC(=O)[C@H](C)C#N)CC1 1055630190 WFNWVMSYIZPGSB-VXGBXAGGSA-N 310.398 -0.122 30 20 DBED N#Cc1cncc(N2CCN(C(=O)[C@@H]3CCNC(=O)C3)CC2)n1 1055752961 FFFJHHQMWSASJO-LLVKDONJSA-N 314.349 -0.477 30 20 DBED Cc1nn[nH]c1C(=O)N1CCC[C@](CO)(NC(=O)[C@@H](C)C#N)C1 1056096243 GUUNXDAKEXIXPJ-XPTSAGLGSA-N 320.353 -0.644 30 20 DBED C#CCOCCC(=O)N1CCC[C@@](CO)(NC(=O)[C@@H](C)C#N)C1 1056097555 RKCYIZBHPORUNG-XJKSGUPXSA-N 321.377 -0.344 30 20 DBED C#CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)C(C)(F)F 1056786538 LWQUDRXDZWKAOD-JTQLQIEISA-N 306.309 -0.383 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)[C@H]1COCCO1 1057041065 BJSOGDGUBJGUQP-GFCCVEGCSA-N 300.355 -0.695 30 20 DBED CC(C)(C(N)=O)C(=O)N1CCCN(c2cnc(C#N)cn2)CC1 1057189809 ICRLGLQNLTZBRR-UHFFFAOYSA-N 316.365 -0.102 30 20 DBED Cn1nnc(C(=O)N2CCCN(c3ccc(C#N)nc3)CC2)n1 1057212270 VIDXWJBPPHIGOB-UHFFFAOYSA-N 312.337 -0.171 30 20 DBED N#Cc1ccc(C(=O)N(CCO)CCNC(=O)[C@@H]2CCCO2)[nH]1 1057366710 CFMOJPOKCNSOQB-ZDUSSCGKSA-N 320.349 -0.384 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)CC(=O)N(C)C 1057622561 LJXQQQUBPCQTGE-UHFFFAOYSA-N 311.382 -0.795 30 20 DBED N#Cc1ccc(N2CC[C@@H](NC(=O)c3c[nH]c(=O)cn3)C2)nn1 1058533251 YCXJTWWVVNDAGG-SNVBAGLBSA-N 311.305 -0.560 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)CCCN(C)C 1058608035 XWWUXQCBJWILAM-UHFFFAOYSA-N 315.414 -0.532 30 20 DBED C[C@@]1(C(=O)N[C@H]2C[C@H](Nc3cnc(C#N)cn3)C2)CCNC1=O 1059409861 CNCOJPQBZNACFW-IQMDTDKHSA-N 314.349 -0.066 30 20 DBED C#CCO[C@H](C)C(=O)N1CCOC[C@H]1CNC(=O)c1cn[nH]c1 1061331629 LRNOQJFZTNYWGN-DGCLKSJQSA-N 320.349 -0.595 30 20 DBED N#Cc1ccc(N2[C@H]3CC[C@H]2CN(C(=O)Cn2ncnn2)C3)nc1 1061993221 RBIOXLGEMWEJER-STQMWFEESA-N 324.348 -0.180 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1(CNC(=O)CNC(N)=O)CCC1 1062491594 KNZDANBBDOFRKI-MNOVXSKESA-N 324.381 -0.599 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)[C@H]2CCN(C)C2=O)CCC1 1064310525 MPJNMIORWZLICO-WDEREUQCSA-N 306.366 -0.221 30 20 DBED C#CCCCCC(=O)NC[C@H]1CN(C(=O)CC(=O)NC)CCO1 1065078047 MLGZEFDXJPYPJX-ZDUSSCGKSA-N 323.393 -0.340 30 20 DBED C=C1CCC(C(=O)N2CCO[C@@H](CNC(=O)C(N)=O)C2)CC1 1065576328 OWZITYKCHQHAQR-LBPRGKRZSA-N 309.366 -0.438 30 20 DBED C[C@H]1CN(C(=O)Cc2nc[nH]n2)C[C@@H]1Nc1cncc(C#N)n1 1067145237 VFXCERIGVIXMNL-ONGXEEELSA-N 312.337 -0.032 30 20 DBED CCc1nc(C#N)cc(N2CC[C@H](NC(=O)C(N)=O)[C@@H](C)C2)n1 1067429889 OWGGCNSHSVLCBQ-ONGXEEELSA-N 316.365 -0.273 30 20 DBED N#Cc1nccc(N2C[C@H](O)[C@H](CNC(=O)c3cc[nH]c3)C2)n1 1067695689 NYTUPDXWOZRPLG-NEPJUHHUSA-N 312.333 -0.097 30 20 DBED Cc1nn[nH]c1C(=O)NCC1[C@H]2CN(c3ccc(C#N)nn3)C[C@H]12 1068192997 UFQZOFKRFRTEBF-VXGBXAGGSA-N 324.348 -0.113 30 20 DBED N#Cc1cncc(NC[C@H]2C[C@H](NC(=O)Cn3nccn3)C2)n1 1068534897 JUTFLWXNRVFBQU-XYPYZODXSA-N 312.337 -0.053 30 20 DBED C=C(C)C[C@@H](C)C(=O)N1CC2(C[C@H](NC(=O)CC(N)=O)CO2)C1 1068781889 GNTAQCHMRVXDPN-NEPJUHHUSA-N 323.393 -0.050 30 20 DBED C#CCC1(C(=O)N[C@@H]2COC3(C2)CN(C(=O)C(N)=O)C3)CCC1 1068895535 MVYNZZKOQVPYKR-NSHDSACASA-N 319.361 -0.849 30 20 DBED Cc1nn[nH]c1C(=O)N1CC[C@@H](N=c2cc[nH]c(C#N)n2)[C@@H]1C 1068933075 ARZUIKWQYUBLGZ-VHSXEESVSA-N 312.337 -0.088 30 20 DBED Cc1nnccc1C(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1 1069970585 NVJBIDWRVCFGSB-OLZOCXBDSA-N 312.337 -0.445 30 20 DBED CC#CCN1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)C(N)=O)n1 1070605730 YNWPHVNTQKXLTL-NWDGAFQWSA-N 319.365 -0.581 30 20 DBED C[C@@H](C#N)C(=O)N1CCC([C@@H]2OCC[C@H]2NCC(N)=O)CC1 1071044011 BSMURJVFZFOVCT-SUHUHFCYSA-N 308.382 -0.383 30 20 DBED C=CCOCC(=O)N1C[C@H](C)[C@H](NC(=O)c2cnn(C)n2)C1 1071808679 KHWXRIWZFAZCQO-CMPLNLGQSA-N 307.354 -0.406 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)c2nccnc2N)C[C@H]1C 1071834423 XSEBQHOPWACLLL-GHMZBOCLSA-N 319.365 -0.162 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H](C)[C@H](NC(=O)CCN(C)C)C1 1071936709 SFOAJSXOKYGVHE-QWHCGFSZSA-N 322.409 -0.959 30 20 DBED C#CCCCC(=O)N1C[C@H](C)[C@@H](NC(=O)CNC(=O)NC)C1 1071996189 OXLNEFVLZYEIJS-RYUDHWBXSA-N 308.382 -0.318 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(C)(NC(=O)Cn2ncnn2)CC1 1073229284 VAQSCGQOWSGKRV-JTQLQIEISA-N 305.342 -0.670 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2CN(CCO)CCCO2)nn1 1073807506 RDFDHUNFPJWMOU-GFCCVEGCSA-N 309.370 -0.723 30 20 DBED N#CCN1CCCO[C@@H](CNC(=O)c2cc(C(N)=O)c[nH]2)C1 1073838028 XYUVPGQXWZMHMI-NSHDSACASA-N 305.338 -0.542 30 20 DBED C#CCCCC(=O)N[C@@H]1CCN(C(=O)CNC(N)=O)C[C@@H]1C 1073918606 KMVHSTOLGUKZPW-NWDGAFQWSA-N 308.382 -0.189 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)c1cc(C)on1 1075532036 MZXWFGICISFTIR-JTQLQIEISA-N 320.349 -0.253 30 20 DBED C#CCN1C[C@@H]2CCN(C(=O)[C@@H]3CC(=O)N(CCOC)C3)[C@@H]2C1 1075855787 QXAQRBZMTSYSGY-RRFJBIMHSA-N 319.405 -0.353 30 20 DBED C[C@@H](CCNC(=O)CCc1cn(C)nn1)NC(=O)[C@@H](C)C#N 1077204722 URZGGZFWCSURMO-QWRGUYRKSA-N 306.370 -0.082 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCn3ccnc3C2)C1 1077259032 GGMKLTAVJLNRLI-MGPQQGTHSA-N 302.378 -0.370 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 1077680524 LGYSYFKEDQTGEF-IOASZLSFSA-N 311.401 -0.007 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)c2c(C)c[nH]c2CC(N)=O)C1 1077707420 HDHXYLKYMYQODG-CHWSQXEVSA-N 318.377 -0.851 30 20 DBED C[C@@H](CCNC(=O)[C@H](C)C#N)NC(=O)c1cccn2nnnc12 1078135988 AWWLBFQJMOAWGH-ZJUUUORDSA-N 315.337 -0.091 30 20 DBED C=C[C@@](C)(O)CC(=O)N(CC)C1CN(C(=O)c2cnn[nH]2)C1 1079687039 ONBIECKGMJEBGI-CQSZACIVSA-N 307.354 -0.195 30 20 DBED C=C[C@](C)(O)CC(=O)N(CC)C1CN(C(=O)[C@H]2CCNC2=O)C1 1079690120 PGSMWWUTUJVMQP-LRDDRELGSA-N 323.393 -0.491 30 20 DBED C#CCOCCC(=O)N(CC)C1CN(C(=O)Cc2nc[nH]n2)C1 1079773564 PNHPDTCRWGEDKH-UHFFFAOYSA-N 319.365 -0.554 30 20 DBED C[C@@H](C#N)C(=O)NC1(CO)CCN(C(=O)CCCN(C)C)CC1 1080981655 JKFFMNRQBKKHGE-ZDUSSCGKSA-N 324.425 -0.042 30 20 DBED O=C(Cc1ccon1)NC[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1081365090 KVEHAKJJENCMPL-TZMCWYRMSA-N 317.345 -0.434 30 20 DBED COCCCC(=O)N1C[C@H](O)[C@H](CNC(=O)C#CC2CC2)C1 1081468086 FNDSJMNKEBMEBN-KGLIPLIRSA-N 308.378 -0.238 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(C(=O)c2cnon2)C[C@@H]1O 1081470956 HTSALXXIQGYXQF-JQWIXIFHSA-N 304.306 -0.968 30 20 DBED C=CC(C)(C)C(=O)NC[C@@H]1CN(C(=O)c2[nH]nnc2C)C[C@H]1O 1081644488 BHHFKBPUIPNXHH-GHMZBOCLSA-N 321.381 -0.126 30 20 DBED CC(C)C#CC(=O)N1CCCC[C@H]1CNC(=O)c1nnn(C)n1 1082063530 VIFPSAPICKSDAA-LBPRGKRZSA-N 318.381 -0.020 30 20 DBED C#CCCN1C[C@@H](NC(=O)c2cc(C(N)=O)co2)[C@H](OC)C1 1082119756 WWGREJDVKYUENJ-DGCLKSJQSA-N 305.334 -0.169 30 20 DBED C=CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)C[C@H]1CC(=O)NC1=O 1083292408 FGSNTXJUSYCFJZ-GRYCIOLGSA-N 307.350 -0.863 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)c2cnc3[nH]nnc3c2)C1 1083529230 FMUYRJPVERJVFT-NEPJUHHUSA-N 300.322 -0.849 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2ccc(-n3cncn3)cc2)C1 1083542283 RNZAHLDLYWBSJE-KGLIPLIRSA-N 312.333 -0.434 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)c2cnc3ccccn3c2=O)C1 1083575509 ALSSLEDNJKYCHO-OLZOCXBDSA-N 314.345 -0.345 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCn3ccnc3C2)C1 1083584100 GGMKLTAVJLNRLI-MJBXVCDLSA-N 302.378 -0.370 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)c2nc3ncccn3n2)C1 1083877146 JFNLMVOXYMCIAU-ZJUUUORDSA-N 322.756 -0.348 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2ccc(-n3ccnn3)cc2)C1 1083945120 NEVHCDUWRSOROU-CABCVRRESA-N 311.345 -0.325 30 20 DBED C#CCN[C@H]1C[C@H](CNC(=O)[C@H]2C[C@H](OC)CN2C(C)=O)C1 1086439596 LFDAGBLCLATMBV-ZQDZILKHSA-N 307.394 -0.260 30 20 DBED CC#CCN1CC[C@H](NC(=O)CN2CCC(=O)NC2=O)[C@H]1C 1088961786 XTWYFNWMOFLIQU-NEPJUHHUSA-N 306.366 -0.469 30 20 DBED CCNC(=O)CC(=O)N[C@H](C)C[C@@H](C)N=c1cc[nH]c(C#N)n1 1089281492 UBNMSFAYBSKRSX-GHMZBOCLSA-N 318.381 -0.008 30 20 DBED CCN(c1ccnc(C#N)n1)[C@H](C)CNC(=O)[C@H]1CNC(=O)N1 1089728238 GWLZEPUVBRAOJZ-NXEZZACHSA-N 317.353 -0.639 30 20 DBED C#CCN1C[C@@H]2[C@@H]3CC[C@@H](CN3C(=O)CCn3cnnn3)[C@H]2C1 1089882324 XGBAUJCJAJXWFE-XGUBFFRZSA-N 314.393 -0.135 30 20 DBED C#CCN1CC[C@H](NC(=O)c2nc(C)c(C)[nH]c2=O)[C@H](O)C1 1090352980 UJIMZZSZAOHYDF-NWDGAFQWSA-N 304.350 -0.815 30 20 DBED CC[C@H](OC)C(=O)N[C@@H]1CN(c2nc(C)cc(C#N)n2)C[C@H]1O 1090374209 VVYSFHOXGMPRFE-UPJWGTAASA-N 319.365 -0.253 30 20 DBED COCC[C@H](C)C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1O 1090429339 ZZCWZCSKHFVJLZ-CYZMBNFOSA-N 319.365 -0.313 30 20 DBED COCCC(=O)N[C@H]1CCN(c2ccnc(C#N)n2)C[C@@H]1O 1092132884 YWUSEQCLKAJLHC-QWRGUYRKSA-N 305.338 -0.559 30 20 DBED CC(=O)N[C@@H](C)C(=O)N1CCN(c2cnc(C#N)cn2)CC1 1093130913 MLQTXHSSMSJANS-JTQLQIEISA-N 302.338 -0.479 30 20 DBED Cc1nsc(N2C[C@H]3[C@H](NC(=O)CNC(N)=O)[C@H]3C2)c1C#N 1093211917 WLPOXQCEVWUBKE-JZYVYDRUSA-N 320.378 -0.458 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@H]2CN(c3nccnc3F)C[C@H]12 1093265644 JMPOLOATGCFNRO-UWVGGRQHSA-N 317.324 -0.694 30 20 DBED COC[C@H](OC)C(=O)N[C@H]1[C@@H]2CN(c3nccnc3C#N)C[C@@H]21 1093344959 MTSRDWAYTQHCGF-JULQROHOSA-N 317.349 -0.440 30 20 DBED N#Cc1nccnc1NCCNC(=O)CCCCNC(N)=O 1093989159 OMSNUFOIRBFFPO-UHFFFAOYSA-N 305.342 -0.285 30 20 DBED Cn1nnc2cc(C(=O)NCCNc3nccnc3C#N)cnc21 1094000065 HOVRALKTZVBBJX-UHFFFAOYSA-N 323.320 -0.133 30 20 DBED Cn1oc(C(=O)NCCCN=c2cc[nH]c(C#N)n2)cc1=O 1094409571 BTACYYBAFXCINT-UHFFFAOYSA-N 302.294 -0.706 30 20 DBED C#CCN1CCN(C(=O)c2ccn(C)c2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094623254 UFDAVSPXRBYDQA-UONOGXRCSA-N 321.402 -0.418 30 20 DBED Cc1cc[nH]c1C(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1 1094729722 JELPWAWUNICMCH-NSHDSACASA-N 301.350 -0.138 30 20 DBED CN(c1cnc(C#N)cn1)[C@@H]1CCN(C(=O)CCNC(N)=O)C1 1095117383 QWIKSMCRSQRTKT-LLVKDONJSA-N 317.353 -0.556 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H](C)Nc1nccnc1C#N 1097768914 VPWDYMDDZWTXNX-JTQLQIEISA-N 300.322 -0.596 30 20 DBED N#CCNC(=O)CN1CC[C@@H](NC(=O)c2ccccc2)[C@@H](O)C1 1099625162 XKKMNWCESQSBFE-KGLIPLIRSA-N 316.361 -0.509 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2cc(C)[nH]n2)[C@@H](O)C1 1099709011 AOWSYMACAIJSIG-OCCSQVGLSA-N 306.366 -0.467 30 20 DBED C#CCCCCC(=O)N[C@@H]1CCN(Cc2nnnn2C)C[C@H]1O 1099785298 DODLTEHKXBCETM-CHWSQXEVSA-N 320.397 -0.545 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CNC(=O)c2ccoc2)[C@H](O)C1 1099844041 AUVRSPWERYLVJV-ZIAGYGMSSA-N 319.361 -0.416 30 20 DBED CN(CCC(=O)N[C@@H]1CCN(CC#N)C[C@@H]1O)c1ccncc1 1099899013 LLBVSCOHJTURCA-CABCVRRESA-N 317.393 -0.017 30 20 DBED CC(C)C#CC(=O)NCC1CC(N[C@@H]2CCC(=O)NC2=O)C1 1100310170 GKDVLBIEIJIJOP-WXRRBKDZSA-N 305.378 -0.065 30 20 DBED N#Cc1cnccc1N1CCC[C@H]1CNC(=O)Cn1cnnn1 1100776814 RPRSSNNUQZIYHV-LBPRGKRZSA-N 312.337 -0.275 30 20 DBED C[C@H](NC(N)=O)C(=O)NC[C@@H]1CCN(c2ccc(C#N)nc2)C1 1100969351 SNFPTWFKMSHWRT-QWRGUYRKSA-N 316.365 -0.047 30 20 DBED CN(CCNc1cncc(C#N)n1)C(=O)CC1CS(=O)(=O)C1 1101836040 HMUCFKRZCFHQRJ-UHFFFAOYSA-N 323.378 -0.347 30 20 DBED C[C@H]1CCN(CC(=O)N(C)CCN=c2cc[nH]c(C#N)n2)C1 1101962465 KIDHIQCGJQBXDL-LBPRGKRZSA-N 302.382 -0.018 30 20 DBED N#Cc1nc(=NCC2(NC(=O)CC(N)=O)CCCC2)cc[nH]1 1103414146 CDQSWGHINQZGRF-UHFFFAOYSA-N 302.338 -0.514 30 20 DBED C[C@@](CNc1cnc(C#N)cn1)(NC(=O)CC(N)=O)C1CC1 1103507109 QGAYMONFYJGMFM-AWEZNQCLSA-N 302.338 -0.080 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)C[C@H]1COC(=O)C1 1104527276 ZRSBCWVMDMJZNV-GHMZBOCLSA-N 317.349 -0.018 30 20 DBED C[C@@H](CNc1nccnc1C#N)N(C)C(=O)Cn1nccn1 1104702002 QXCMTSKACQLVAU-JTQLQIEISA-N 300.326 -0.101 30 20 DBED CC(=O)N1CCOC[C@H]1C(=O)N1C[C@@H](C)[C@H](CCNCC#N)C1 1105033737 FJASGGONSRBEBH-YUELXQCFSA-N 322.409 -0.169 30 20 DBED N#Cc1ccc(NC[C@H]2CCC[C@@H]2NC(=O)CNC(N)=O)nn1 1105653971 CTQIGWQFGBDARH-KOLCDFICSA-N 317.353 -0.287 30 20 DBED Cc1c[nH]nc1C(=O)NC[C@@H](O)CNc1nccnc1C#N 1105825603 LAXYPHYAPWJKCO-VIFPVBQESA-N 301.310 -0.417 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H](C)[C@H](CNCC(=O)N2CCOCC2)C1 1105946035 JMXSCMXIOZOPPA-BFHYXJOUSA-N 322.409 -0.311 30 20 DBED C[C@@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)c1cnn(C)n1 1106385412 WAPMKRLFEHMMQB-VIFPVBQESA-N 300.326 -0.481 30 20 DBED C[C@@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)C1CS(=O)(=O)C1 1106459273 QVQGAOVICCKQAD-VIFPVBQESA-N 323.378 -0.879 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)[C@H]1CC[C@@H](C(N)=O)C1 1108111950 WNYXFOAIQKXIAY-MXWKQRLJSA-N 316.365 -0.412 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)CCN2CCCC2=O)C1 1108405052 RLHOJDZWTOJKEI-INIZCTEOSA-N 307.394 -0.161 30 20 DBED CC#CCN1CCO[C@@](C)(CNC(=O)c2cn(C)c(=O)n2C)C1 1108426233 LGMQEAKJTLNMSJ-INIZCTEOSA-N 320.393 -0.432 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)C3(N(C)C)CCC3)CC2=O)C1 1108552462 MCRSHLQRZPFUQK-ZDUSSCGKSA-N 318.421 -0.495 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCOCCO 1109266781 FKCSYTNRVUHFTN-XGUBFFRZSA-N 310.394 -0.245 30 20 DBED CN(CCCNc1nccnc1C#N)C(=O)[C@H]1COCCN1C 1109410214 RMQJNOAIXCSNDZ-CYBMUJFWSA-N 318.381 -0.061 30 20 DBED C[C@]1(CNc2nccnc2C#N)CCN(C(=O)CNC(N)=O)C1 1110829229 UBXYHCIQUSWIHZ-CQSZACIVSA-N 317.353 -0.333 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(c2nccnc2F)C[C@@H]1O 1112702642 ULIWJRPCTVJCEA-MNOVXSKESA-N 310.329 -0.268 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)C[C@@H]2CCOC2)CC1 1112737078 RIMCOJQXFHHHEY-KBPBESRZSA-N 307.394 -0.305 30 20 DBED C[C@H](Nc1cnc(C#N)cn1)[C@@H](C)NC(=O)Cn1nccn1 1113173050 IPXRTXGAGGWOGG-VHSXEESVSA-N 300.326 -0.055 30 20 DBED C[C@H](CNC(=O)CN1CCOCC1)N(C)c1ccc(C#N)nn1 1113557965 ADZFZYKUIGPPAJ-GFCCVEGCSA-N 318.381 -0.379 30 20 DBED C[C@@H](CNC(=O)c1cnn(C)c1N)N(C)c1ccc(C#N)nn1 1113573316 ISXYZPNDCOEQNZ-VIFPVBQESA-N 314.353 -0.081 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCN(C)C1=O)N(C)c1cncc(C#N)n1 1113820600 QUSWBQIMZGXWEZ-CMPLNLGQSA-N 316.365 -0.233 30 20 DBED C#CCCCC(=O)N[C@H]1[C@@H]2CN(CC(=O)N3CCOCC3)C[C@@H]21 1114199175 PMDCEYHCIDFOGG-HALDLXJZSA-N 319.405 -0.305 30 20 DBED C=CC(C)(C)CC(=O)NC1[C@H]2CN(CC(=O)NC(N)=O)C[C@H]12 1114327896 DZCJXBOBPABINR-UWVGGRQHSA-N 308.382 -0.170 30 20 DBED C[C@H]1CCN(CC(=O)N[C@H]2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]32)C1 1114832606 UTWFIIUIOJLPBZ-BCUIYNNISA-N 319.409 -0.986 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)Cn3nccc3C)[C@@H]2C1 1114895335 VOHGFMNRHHNOMQ-CHWSQXEVSA-N 317.393 -0.460 30 20 DBED CN1CC[C@@H](CC(=O)N[C@H]2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]32)C1 1115127988 CPRYMXYXKUSVSA-BCUIYNNISA-N 319.409 -0.986 30 20 DBED COCCC(=O)NCCOCCCN=c1cc[nH]c(C#N)n1 1115374846 XYPFIFJYLLVPHI-UHFFFAOYSA-N 307.354 -0.259 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NCC(=O)NC(N)=O)CCCCC1 1115452288 WCAFJHNYWDFYAQ-JTQLQIEISA-N 309.370 -0.250 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)c2nnc(C)o2)C1=O 1115942497 ZAPIIMHCNBJINU-ZETCQYMHSA-N 322.277 -0.041 30 20 DBED CC#CCN(C)C(=O)C(=O)Nc1cc(C)n(CC(=O)NC)n1 1117718549 UPEMKPPNMDSUOW-UHFFFAOYSA-N 305.338 -0.642 30 20 DBED C=CCOCCNC(=O)C(=O)N1CCC2(CCNC2=O)CC1 1119087650 PMFKNPFFSJMBLX-UHFFFAOYSA-N 309.366 -0.566 30 20 DBED CC(=O)N(C)CC(=O)NC[C@H](CO)Nc1ncc(C#N)cc1F 1121085776 BMHUQICYBFAFHR-LLVKDONJSA-N 323.328 -0.540 30 20 DBED Cc1cc[nH]c1C(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1 1121387147 NQZBMSPFCWGAFJ-JTQLQIEISA-N 300.322 -0.391 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2[C@@H](C)C2(F)F)CC1 1123961177 IYXGXJKLAORNFS-ZJUUUORDSA-N 321.349 -0.501 30 20 DBED COC[C@H](C)C(=O)N(C)C[C@@H](O)CN=c1cc[nH]cc1C#N 1124195763 AJSUFAAHZXSJPR-AAEUAGOBSA-N 306.366 -0.111 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)Cc1ccoc1 1124255974 BQWKBRNEVURRQL-LBPRGKRZSA-N 315.333 -0.163 30 20 DBED CN(C[C@H](O)CNc1ccc(C#N)nn1)C(=O)c1cnn(C)n1 1124415987 YAOGGSBZFZEMBZ-SNVBAGLBSA-N 316.325 -0.978 30 20 DBED CN(C)C(=O)CC(=O)N(C)C[C@H](O)CNc1ccc(C#N)nc1 1124799421 YPXWMXUXZOXTJD-CYBMUJFWSA-N 319.365 -0.337 30 20 DBED Cc1c[nH]c(C(=O)N(C)C[C@H](O)CN=c2cc[nH]cc2C#N)n1 1124828006 GYWOYJJYIBRJOS-GFCCVEGCSA-N 314.349 -0.048 30 20 DBED N#Cc1cc(C(=O)NCCNCC(=O)NC[C@H]2CCCO2)c[nH]1 1125988238 QQKAEFRDALRYCL-CYBMUJFWSA-N 319.365 -0.499 30 20 DBED CC(C)C#CC(=O)NCCNCC(=O)NC(=O)NC(C)(C)C 1126815698 JGFGYHMHOGWZSV-UHFFFAOYSA-N 310.398 -0.024 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@H](C)OCC#C)C[C@@H]1n1ccnn1 1129837601 GZNWWKISWJMHBF-MJBXVCDLSA-N 301.350 -0.709 30 20 DBED CCN(C)CCC(=O)N1CCC(=O)NCCN(CC#N)CC1 1131390838 NPBUPZGBVZOWAV-UHFFFAOYSA-N 309.414 -0.498 30 20 DBED C#CCN1CC[C@@]2(C1)CN(C(=O)CN(C)C(C)=O)C[C@H](C)O2 1131639947 XCSQMZARVRVBLR-XJKSGUPXSA-N 307.394 -0.210 30 20 DBED C#CCNC(=O)CNCCNC(=O)CCn1nc(C)cc1C 1132070974 TXARFHRKTRVUIX-UHFFFAOYSA-N 305.382 -0.655 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2cncn2C)CC[C@@H]1C 1132156418 FDPCZYCNFGJQIF-STQMWFEESA-N 317.393 -0.248 30 20 DBED C[C@H]1CCN(C(=O)c2cn(C)c(=O)nc2O)C[C@H]1CNCC#N 1133314579 OOTVOFUXMBLWQS-WDEREUQCSA-N 319.365 -0.303 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)Cc1cc(C)[nH]n1 1134056442 PUCQPAFXSQTKQW-VXGBXAGGSA-N 319.409 -0.117 30 20 DBED CC#CCN[C@@H](C)C[C@@H](C)NC(=O)CNS(=O)(=O)CC 1134505430 QCTYVOUYUXBLQA-NWDGAFQWSA-N 303.428 -0.178 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)CCn1ccnc1 1135130935 BQIZXKAXMJKIAY-ZIAGYGMSSA-N 319.409 -0.105 30 20 DBED CC(F)(F)C(=O)N1CC2(CCN(CC(=O)NCC#N)C2)C1 1146871516 KUOZCQNZDGGXNR-UHFFFAOYSA-N 300.309 -0.184 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@@]1(C)CCN(C(C)=O)C1 1146993752 FNBWOIXEOIXISB-LRDDRELGSA-N 322.409 -0.911 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(Cc2nncn2C)CCCO1 1149431142 IRZROQVFNHOJDM-ZDUSSCGKSA-N 323.397 -0.275 30 20 DBED COC[C@@]1(C(=O)NC[C@@H]2CN(CC#N)CCCO2)CCOC1 1150036660 QIWWNAOVGVJMJX-HIFRSBDPSA-N 311.382 -0.230 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)CCc1nccs1 1151505939 HKWSCKXSFWUIMZ-NSHDSACASA-N 308.407 -0.081 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)CNC(=O)OC 1155143368 HUPARIXJGCQAPR-SNVBAGLBSA-N 300.359 -0.871 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCCNCC(=O)NCCCOC 1157189430 KQHMTMQVTXSAHA-OAHLLOKOSA-N 315.414 -0.438 30 20 DBED C[C@@H](C#N)C(=O)NCCC1=CCN(CC(=O)NCC#N)CC1 1159587547 SYYBDGJOVIQWLR-LBPRGKRZSA-N 303.366 -0.076 30 20 DBED C#CCNC(=O)CN1CC=C(CCNC(=O)c2cnn[nH]2)CC1 1160574136 KEJIBQQNQOLWIZ-UHFFFAOYSA-N 316.365 -0.694 30 20 DBED COCC#CCNCCCNC(=O)[C@@H]1CCc2nncn2CC1 1162814630 GBHPKIDLPLMBTQ-CQSZACIVSA-N 319.409 -0.024 30 20 DBED C#CCNC(=O)CNCC1(CCNC(=O)CN(C)C(C)=O)CC1 1163487133 LTJPCEOMUGKAHY-UHFFFAOYSA-N 322.409 -0.910 30 20 DBED C=C[C@](C)(O)CC(=O)NCCC1(CNCc2nnnn2C)CC1 1164303647 QLTVKCTXIWLLFN-AWEZNQCLSA-N 322.413 -0.087 30 20 DBED COC1CC(C(=O)NCCC2(CNCC(=O)NCC#N)CC2)C1 1165655700 DKDXGGYWEJEURQ-UHFFFAOYSA-N 322.409 -0.073 30 20 DBED C=CCOCCNCCCNC(=O)CC[C@H]1NC(=O)NC1=O 1175585644 WRAVMXPFCFIBTA-LLVKDONJSA-N 312.370 -0.727 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)[C@H]1CCCN1C(C)=O 1177147687 PLGLMUNNLUHIAT-TZMCWYRMSA-N 322.409 -0.769 30 20 DBED C#CCNC(=O)CC(=O)NCCCCCCNCC(=O)N(C)C 1178262507 MPIGGMABCUCERU-UHFFFAOYSA-N 324.425 -0.520 30 20 DBED N#CCNC(=O)CN[C@@H]1CCN(C(=O)CCc2ccncc2)C1 1183877387 QJEPSJWVVQJLFL-CQSZACIVSA-N 315.377 -0.156 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)c2cc(C(N)=O)ccn2)C1 1188495941 UOQOCTHMKCYESX-CYBMUJFWSA-N 316.361 -0.366 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](N(C)Cc2nncn2C)C1 1190122021 UXZNQRPWLPAROQ-CYBMUJFWSA-N 305.382 -0.112 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)CSCCC)C1 1191362125 SAJIQRBVPZIYOZ-VXGBXAGGSA-N 313.423 -0.960 30 20 DBED CN(CC(=O)NCC#N)[C@@H]1CCN(C(=O)CCc2cn[nH]c2)C1 1192758536 KMEORYPJLIVNCT-CYBMUJFWSA-N 318.381 -0.485 30 20 DBED C[C@H](C(=O)N(C)C)N1C[C@@H](O)[C@H](NC(=O)C#CC(C)(C)C)C1 1192813853 QMICJEWVYKTJCI-JHJVBQTASA-N 309.410 -0.326 30 20 DBED COCC#CCN(C)[C@@H]1CCN(C(=O)CCn2cnnn2)C1 1193026183 IQHHKZSHNNKGHO-CYBMUJFWSA-N 306.370 -0.754 30 20 DBED C=C[C@@](C)(CC)C(=O)N[C@@H]1CN(CCS(C)(=O)=O)C[C@H]1O 1195932543 QTEJSNYDTTWPJT-BZPMIXESSA-N 318.439 -0.205 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)C2(C)CC(=C)C2)C1 1196019283 BENSRJCRIFDPMV-BFHYXJOUSA-N 319.405 -0.358 30 20 DBED CC#CCN1CCCN(C(=O)COCc2nncn2C)CC1 1197653625 GZSBXHJLWACXMV-UHFFFAOYSA-N 305.382 -0.111 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@H]2CC[C@H]1N(C(=O)CCN(C)C)C2 1204696699 HKTBAQKPBFLDHC-QLFBSQMISA-N 320.437 -0.343 30 20 DBED C#CCNC(=O)[C@@H](C)NCC1CCN(C(=O)[C@H](O)C(C)C)CC1 1205165733 VHKINLVRVOVYRH-UKRRQHHQSA-N 323.437 -0.031 30 20 DBED C=CCNC(=O)CNCC1CCN(C(=O)c2cnn(C)n2)CC1 1206581390 PAKUGQZTVNKYDP-UHFFFAOYSA-N 320.397 -0.441 30 20 DBED N#CCNCC1CCN(C(=O)CC[C@@H]2NC(=O)NC2=O)CC1 1206917453 GOHBYCPWRFUNCE-NSHDSACASA-N 307.354 -0.674 30 20 DBED CO[C@@H]1CN([C@H](C)C(=O)NC2CC2)C[C@H]1NC(=O)C#CC1CC1 1212251306 WKCBYFYVGCSTBC-KCPJHIHWSA-N 319.405 -0.118 30 20 DBED C=CCOCCN1C[C@@H](NC(=O)[C@H]2CCNC2=O)[C@H](OC)C1 1213256515 HQNQMTCXCNEIEJ-YNEHKIRRSA-N 311.382 -0.860 30 20 DBED C#CCN1C[C@@H](NC(=O)c2cnn(CCCOC)c2)[C@H](OC)C1 1213689687 SHUMVRVOJAOIQR-HUUCEWRRSA-N 320.393 -0.018 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@H]1C 1214902687 ZCODELSYYPQQCQ-IJLUTSLNSA-N 324.425 -0.375 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C)O2)C[C@H]1C 1215594233 FAMXJZIRMCVLCT-AAVRWANBSA-N 307.394 -0.260 30 20 DBED CCS(=O)(=O)N(C)CC(=O)N1C[C@@H](NCC#N)[C@H](C)C1 1216153493 OVMUSVSKWJBLCQ-GHMZBOCLSA-N 302.400 -0.772 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CN(C)C(=O)C(C)C 1218037681 OWDDHDSQSCSEPQ-UONOGXRCSA-N 307.394 -0.354 30 20 DBED CCCCCCCN1C[C@H](O)[C@H](NC(=O)Cn2cnnn2)C1 1219158727 NPKNINBPWYXVNZ-OLZOCXBDSA-N 310.402 -0.195 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)c2ncccc2C)C1 1219432920 USJDSCMNOWLFJW-KGLIPLIRSA-N 303.362 -0.185 30 20 DBED C=CCCCC(=O)N[C@@H]1CN(CCN2C(=O)CCC2=O)C[C@@H]1O 1220239888 YTKIFZPIESOQDA-OLZOCXBDSA-N 323.393 -0.347 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@@H](C)NC(=O)CC2CCCC2)C1 1220547706 CNAVFFGKGRQBNY-YUELXQCFSA-N 321.421 -0.134 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)c2cccn(C)c2=O)C1 1220783512 OGLOGPUJXRFWNS-KGLIPLIRSA-N 321.377 -0.637 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C[C@@H](CC)C(C)C)C1 1220801757 KMHZUQHFLGUFKL-KFWWJZLASA-N 323.437 -0.031 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H]2CCN([C@H](C)COC)C[C@H]21 1221496319 SQVIBWZVPXXKLW-MGPQQGTHSA-N 307.394 -0.307 30 20 DBED Cc1conc1C(=O)N1C[C@H]2CCN(CC(=O)NCC#N)C[C@H]21 1221919218 DRDOCVDMPSRQKD-VXGBXAGGSA-N 317.349 -0.231 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC(NC(=O)c2cc[nH]n2)CC1 1226127642 HGWNMCQPROQMHI-NSHDSACASA-N 303.366 -0.258 30 20 DBED CCO[C@@H]1C[C@H]1C(=O)NC1CCN(CC(=O)NCC#N)CC1 1226228196 GMJDFGXEYSFBFB-CHWSQXEVSA-N 308.382 -0.368 30 20 DBED CC#CCN1CCC(NC(=O)CCc2nnc(O)nc2O)CC1 1228155896 AEXIEYZIQCDOPE-UHFFFAOYSA-N 319.365 -0.181 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@@H]1CN(C)C(=O)CNC(=O)CC 1231271144 GTKLSKXSIZTPPZ-QWHCGFSZSA-N 322.409 -0.817 30 20 DBED CN(C[C@H]1CCN1CC(=O)NCC#N)C(=O)C[C@@H]1COC(=O)C1 1233609992 CLOIEBOQICDKQG-NWDGAFQWSA-N 322.365 -0.888 30 20 DBED C=C[C@H]1CCCCN1C(=O)C(=O)NCCS(=O)(=O)NC 1322719514 RWLWIOOOKGSELF-JTQLQIEISA-N 303.384 -0.781 30 20 DBED CN(C)CCOCCNC(=O)C(=O)N1CC[C@](F)(C#N)C1 1325213543 KXFREJOUCLCABN-ZDUSSCGKSA-N 300.334 -0.855 30 20 DBED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)NCc1cn(C)nn1 1326603504 MCCPJTFHCRTJCX-ZYHUDNBSSA-N 307.354 -0.471 30 20 DBED C#C[C@@H](NC(=O)C(=O)NCc1ccc(C(N)=O)o1)[C@H]1CCCO1 1329597747 OEHQHWYREGXHST-GHMZBOCLSA-N 319.317 -0.708 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N[C@@H](C)c1nnnn1C1CC1 1329816479 NVIYDNPJCOPURC-JTQLQIEISA-N 322.369 -0.154 30 20 DBED C#CCN(C(=O)C(=O)NCC(C)(C)S(C)(=O)=O)C(C)C 1332803564 RGHNAHRCXGPEDZ-UHFFFAOYSA-N 302.396 -0.204 30 20 DBED C#CCNC(=O)CN1CCN(CCCCS(C)(=O)=O)CC1 1332844540 VCIXGLHPWKHFMM-UHFFFAOYSA-N 315.439 -0.822 30 20 DBED C=CCN(CCOC)c1nnnn1Cc1nnnn1CC1CC1 1335900674 ODDDMZIHZSEPRC-UHFFFAOYSA-N 319.373 -0.243 30 20 DBED CS(=O)(=O)C1(CNC(=O)C(=O)NCC2(CC#N)CC2)CC1 1343247381 PVCARZZZDIDEFN-UHFFFAOYSA-N 313.379 -0.510 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2C[C@@H](C)[C@@](C)(CO)C2)nn1 1347645050 SFEHBLVFGKORIW-IAQYHMDHSA-N 321.381 -0.443 30 20 DBED CN1CCC[C@@H]1CNC(=O)CCn1cc(C#N)c(O)nc1=O 1363089613 MVOQDBCYSBXZMJ-LLVKDONJSA-N 305.338 -0.579 30 20 DBED COCCN(CCC#N)S(=O)(=O)NCc1ccc(O)nn1 1365708032 CESLJEXASLHJTQ-UHFFFAOYSA-N 315.355 -0.621 30 20 DBED CC(=O)N1CCC[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@H](C)C#N)C1 1372563269 HSSXOUJTDVPPDU-OJAKKHQRSA-N 306.366 -0.080 30 20 DBED Cc1ccn(CC(=O)NCCN(C)C(=O)[C@H](C)C#N)c(=O)c1 1387742151 SBVGVGLECBNBJZ-GFCCVEGCSA-N 304.350 -0.109 30 20 DBED C=C(Cl)CNC[C@@H](O)CNC(=O)CN(C)C(=O)C1CC1 1392381080 QFBDHZLNRVWOTL-LLVKDONJSA-N 303.790 -0.326 30 20 DBED CCCS(=O)(=O)CC(=O)NC[C@@H](C)N(C)C(=O)[C@@H](C)C#N 1395087151 GAVMRWIKQHPZRM-WDEREUQCSA-N 317.411 -0.066 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@@H](C)CNC(=O)CCn1cnccc1=O 1395161887 MROFQURPVHWCGJ-RYUDHWBXSA-N 319.365 -0.244 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(Cc2ccn(C)c(=O)c2)C1 1402327432 ZZQRILRYLYLAKR-NSHDSACASA-N 304.350 -0.792 30 20 DBED COc1coc(CNC[C@H](O)CNC(=O)[C@H](C)C#N)cc1=O 1406214931 LTOPMRQQCHOXOX-ZJUUUORDSA-N 309.322 -0.625 30 20 DBED CCC(=O)NCC(=O)NC[C@H](O)CNCc1cccc(C#N)c1 1422261498 BUMLTOBIUNHNJO-CQSZACIVSA-N 318.377 -0.349 30 20 DBED C[C@H](CN(C)C(=O)Cn1cnnn1)NC(=O)c1cc(C#N)c[nH]1 1427456597 IJMKNGZCJQOTRM-SECBINFHSA-N 316.325 -0.850 30 20 DBED CC(=O)N1CCC[C@H](C(=O)N2CC(CNC(=O)[C@H](C)C#N)C2)C1 1432477550 UEMGKHYVEPUUHL-RISCZKNCSA-N 320.393 -0.021 30 20 DBED C[C@H]1C[C@H](NC(=O)Cn2cc(C#N)c(O)nc2=O)CCN1C 1445061500 XZTXNICFPFPMLA-GXSJLCMTSA-N 305.338 -0.581 30 20 DBED CCO[C@@H]1C[C@@H](NC(=O)Cn2cc(C#N)c(O)nc2=O)[C@@H]1OC 1448122444 SLLBKSKWNYXHAK-FOGDFJRCSA-N 322.321 -0.871 30 20 DBED C[C@]1(C#N)CN(S(=O)(=O)Cc2cc(C(=O)O)no2)CCO1 1573590871 YIUMMEVVANOQFE-NSHDSACASA-N 315.307 -0.183 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CCC[C@@H](N)C2)CC1 1574706589 GBFPRJUFTZRPST-UONOGXRCSA-N 306.410 -0.603 30 20 DBED O=C(N[C@H]1CCCN(O)C1=O)c1cnnn1C1CCNCC1 1580607612 TVJVUBIUTKKVPG-JTQLQIEISA-N 308.342 -0.687 30 20 DBED C#CC[C@@H]1NC(=O)N([C@H]2CCCCN(CC(=O)O)C2=O)C1=O 1588391177 CAPUDCDQKFYHEH-UWVGGRQHSA-N 307.306 -0.604 30 20 DBED C#CC[C@@H](NS(=O)(=O)CC1(CC(=O)O)CC1)C(=O)OC 1588423553 KNPDDGQGFOYQSL-SECBINFHSA-N 303.336 -0.274 30 20 DBED CC(=O)NCCCCCn1c(=O)c(C#N)cn(CC(=O)O)c1=O 1588502080 MQPRCZWBIILZBQ-UHFFFAOYSA-N 322.321 -0.727 30 20 DBED C[C@@]1(C#N)CN(C(=O)C(=O)N2CC[C@@](C)(C(=O)O)C2)CCO1 1589181287 DONHYQIUXUXJQH-ZIAGYGMSSA-N 309.322 -0.549 30 20 DBED CC(C)[C@@](C)(C#N)NC(=O)Cn1cncc(-c2nn[nH]n2)c1=O 1589419082 ACCCZRMHDNKDPU-CYBMUJFWSA-N 316.325 -0.522 30 20 DBED Cc1cc(NC(=O)Cn2cnc(C#N)c2-c2nn[nH]n2)n(C)n1 1592020220 SJUOVYNWQIRTHR-UHFFFAOYSA-N 312.297 -0.385 30 20 DBED O=C(O)C[C@@H]1C(=O)NCCN1C(=O)c1cccc(C#CCO)c1 1601939979 FTLMMFLSBOBJEN-CYBMUJFWSA-N 316.313 -0.554 30 20 DBED C=C(CCC(=O)O)C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1602775337 BMNXNISSEUTZJM-UHFFFAOYSA-N 318.289 -0.375 30 20 DBED N#Cc1ncn(CC(=O)N[C@@H](Cc2ccccc2O)C(=O)O)n1 1608225336 KXWHKCYXGXAWIU-JTQLQIEISA-N 315.289 -0.333 30 20 DBED C#CCN1CC[C@H](NC(=O)CNC(=O)NCc2ccco2)C1 1713838559 REHHTZFGXLMLAI-LBPRGKRZSA-N 304.350 -0.098 30 20 DBED CC(=O)NCCOCCN1CCC[C@@H]1CNC(=O)[C@H](C)C#N 1753096675 DJOMWEKUNZGALQ-TZMCWYRMSA-N 310.398 -0.121 30 20 DBED Cc1cc(C(=O)N(C)[C@@H]2CCN(CC(=O)NCC#N)C2)n[nH]1 1753431372 YVURLIIQCFEDAD-LLVKDONJSA-N 304.354 -0.496 30 20 DBED C#CCNCC[C@H]1CCCCN1C(=O)CS(=O)(=O)N(C)C 1753787453 FTCZUPYQBUASJB-CYBMUJFWSA-N 315.439 -0.128 30 20 DBED CC#CCNC[C@H](O)CNC(=O)c1cnn2ccc(C)nc12 1753933144 DZHREAYDAGPZCH-LBPRGKRZSA-N 301.350 -0.259 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H](O)CNCc2cnnn2C)cn1 1753933875 PWXQIOSYCCWGDJ-AWEZNQCLSA-N 314.349 -0.928 30 20 DBED C#CCNC[C@@H]1CCCC[C@@H]1NC(=O)CN1C(=O)CNC1=O 1754350681 DZJUNENVTHHKNM-RYUDHWBXSA-N 306.366 -0.564 30 20 DBED CNC(=O)NC(=O)[C@H](C)N1CC[C@@H]1CNC(=O)C#CC1CC1 1754483003 DTMOTSMSDNUGSG-CMPLNLGQSA-N 306.366 -0.566 30 20 DBED COCC#CCN[C@H]1CCN(C(=O)Cc2nc[nH]n2)[C@H](C)C1 1754603688 LFCXYSPHFLWGQW-OLZOCXBDSA-N 305.382 -0.034 30 20 DBED CC(C)OCC(=O)N1CC[C@H](CCNCC(=O)NCC#N)C1 1754905611 LFFMMDZVRKBHNX-ZDUSSCGKSA-N 310.398 -0.121 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)c2cc(C)on2)C[C@@H]1C 1755103264 JGMYQISLGZKPJG-GXFFZTMASA-N 304.350 -0.217 30 20 DBED CC#CCN1CC[C@H](NC(=O)CN(C)S(C)(=O)=O)C[C@H]1C 1755161146 JNIADJASFIGYJJ-OLZOCXBDSA-N 315.439 -0.130 30 20 DBED C=C(C)CN[C@@H](C)[C@@H](C)NC(=O)CCn1cc[nH]c(=O)c1=O 1755260197 NCTYNJUFIOHJDW-NWDGAFQWSA-N 308.382 -0.014 30 20 DBED CC(C)(C)C#CC(=O)NC[C@H](CO)NCc1nnnn1C1CC1 1755628397 SLULJGPNMTXVHC-LLVKDONJSA-N 320.397 -0.376 30 20 DBED C=CCNC(=O)CN[C@@H](CO)CNC(=O)c1[nH]c(C)nc1C 1755639663 VWMULBMZJGWDOO-LLVKDONJSA-N 309.370 -0.991 30 20 DBED C#CCCN1CCC[C@@H](NC(=O)CNS(=O)(=O)NC)[C@@H]1C 1755716096 JIFWDXBAKYOOLK-NWDGAFQWSA-N 316.427 -0.967 30 20 DBED COCC#CCNC1CC(N(C)C(=O)[C@@H]2CC(=O)N(C)C2)C1 1755857756 AVEUHNFFMXTKDP-IYXRBSQSSA-N 307.394 -0.307 30 20 DBED C#CCCCCC(=O)NC[C@@H](CO)NC(=O)[C@H]1CCC(=O)N1C 1756513105 AKWJGCGZSGIAIE-QWHCGFSZSA-N 323.393 -0.606 30 20 DBED C[C@H]1CCN(C(=O)CSCC#N)C[C@@H]1CNC(=O)C(N)=O 1756801268 KLJRQUBEQFIMJH-UWVGGRQHSA-N 312.395 -0.671 30 20 DBED C#CCCCC(=O)N1C[C@@H](O)[C@H](NC(=O)CCC(=O)NCC)C1 1756985649 MBZMAZNBVYOZLU-CHWSQXEVSA-N 323.393 -0.606 30 20 DBED C=CCCC(=O)N(C)C[C@H]1CCN1C(=O)Cn1ncn(C)c1=O 1757278834 PMVNADNSLPRNDR-GFCCVEGCSA-N 321.381 -0.393 30 20 DBED CC(=O)NCC(=O)N1CC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1783140139 WWOSQAQIDBKXRN-HNNXBMFYSA-N 322.365 -0.744 30 20 DBED N#CCC(=O)N1CC2(CCCN2C(=O)[C@H]2CCNC(=O)C2)C1 1846421392 JJMLHMDKSFIUHJ-NSHDSACASA-N 304.350 -0.370 30 20 DBED COC(=O)NCC(=O)N1CCN(c2ccc(C#N)cn2)CC1 65729318 RBCJPEJQZGGVSN-UHFFFAOYSA-N 303.322 -0.042 30 20 DBED C=CCN(CC(=O)NCCOCC)[C@@H]1CCS(=O)(=O)C1 84694396 WSBOCYKRETYAEN-GFCCVEGCSA-N 304.412 -0.186 30 20 DBED N#Cc1ccccc1CS(=O)(=O)N(CC(=O)O)CC(=O)O 110969299 VSDVKWWMDFXPGK-UHFFFAOYSA-N 312.303 -0.141 30 20 DBED C[C@@H](CS(C)(=O)=O)NS(=O)(=O)c1ccc(C#N)nc1 125700327 PMMOYXQIIGVULO-QMMMGPOBSA-N 303.365 -0.335 30 20 DBED N#CCCN(CCN1CCOCC1)C(=O)Cn1ccccc1=O 162507444 IDLAYKRETADVOE-UHFFFAOYSA-N 318.377 -0.077 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)[C@H]2CCCN2C)CC1 162735865 IOHXGMPWBCHGNY-ZIAGYGMSSA-N 306.410 -0.637 30 20 DBED Cc1cc(C#N)ccc1S(=O)(=O)N[C@H](CC(N)=O)C(=O)O 230022149 XWYGMYMCVPRSEK-SECBINFHSA-N 311.319 -0.526 30 20 DBED CC(=O)N[C@@H](C)C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 247511578 YKVYZXPMFIVCBG-QWRGUYRKSA-N 316.365 -0.090 30 20 DBED CC(C)(C)N/C(N)=N/CCC(=O)N[C@H]1CCS(=O)(=O)C1 261963478 AAFROZVFFPUZAL-VIFPVBQESA-N 304.416 -0.617 30 20 DBED CN(C)S(=O)(=O)c1cccc(S(=O)(=O)NCC#N)c1 268716053 MMPFQUOTXAHESM-UHFFFAOYSA-N 303.365 -0.261 30 20 DBED COc1ccc(C#N)cc1NC(=O)C(=O)N1CCNC(=O)[C@@H]1C 275986827 JDANXTYWIQITSL-VIFPVBQESA-N 316.317 -0.148 30 20 DBED C[C@@H](C#N)CN(C)C(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cnn(C)c1 279668422 ZOTKNBBAAMHUJQ-LEWSCRJBSA-N 319.365 -0.064 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCCN1C(=O)CNC1=O 280936914 IWWWJIRGZZCCNH-PWSUYJOCSA-N 310.354 -0.181 30 20 DBED CN(/C(O)=N/C[C@@H]1CCCCS1(=O)=O)[C@@H]1COC[C@H]1O 329376321 LIICYPBBXPCZAM-HBNTYKKESA-N 306.384 -0.441 30 20 DBED CN(CC(=O)N1CCOCC1)/C(O)=N/[C@H]1CCc2ncnn2C1 329420776 HJZTXXJIRWIWEZ-NSHDSACASA-N 322.369 -0.703 30 20 DBED CN1CCO[C@@H]2CN(/C(O)=N/CCN3C(=O)CCC3=O)C[C@@H]21 329738840 UOXFRIGUWMLRRZ-WDEREUQCSA-N 310.354 -0.936 30 20 DBED CN(CC/N=C(/O)N(C)C)C(=O)CCN1CCCS1(=O)=O 330650758 HSBAURDRSZIMFL-UHFFFAOYSA-N 320.415 -0.654 30 20 DBED C[C@@H](C(=O)N(C)CCC#N)N1CCC[C@]2(C1)NC(=O)NC2=O 331684220 RRZXKXJNNSNEOA-IINYFYTJSA-N 307.354 -0.579 30 20 DBED CC(C)[C@H]1CN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CCN1C 337195640 WBWKDOHRXXIFMM-QWHCGFSZSA-N 316.427 -0.272 30 20 DBED N#CCNC(=O)CNC(=O)NCc1ccc(-n2cncn2)cc1 358270345 FERKAVOBAQYFTE-UHFFFAOYSA-N 313.321 -0.294 30 20 DBED Cn1nccc1N1CCC[C@@H](NC(=O)NCC(=O)NCC#N)C1 358293884 MRAHHNKZTOUHIW-LLVKDONJSA-N 319.369 -0.672 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H]1CCS(=O)(=O)C1 407950572 AMNBQPYEUMVZRJ-NXEZZACHSA-N 309.413 -0.511 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N(C)[C@@H]1CCS(=O)(=O)C1 407951088 BJVPMFKDRFXMFK-VHSXEESVSA-N 309.413 -0.558 30 20 DBED CNC(=O)[C@@H]1CCCCN1S(=O)(=O)N(C)C[C@H](C)C#N 407952434 HHBAMQUZMNEEQI-MNOVXSKESA-N 302.400 -0.077 30 20 DBED C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)N1CCOCC1 408067136 IVTWCWKRIKTYGN-LLVKDONJSA-N 324.424 -0.762 30 20 DBED Cc1onc(CC(=O)N2CCN(S(C)(=O)=O)CC2)c1C#N 408152304 YZVFXLKWQNNPQJ-UHFFFAOYSA-N 312.351 -0.499 30 20 DBED CC[C@@H](C)N(CC(=O)O)S(=O)(=O)N1CCO[C@@H](C#N)C1 417422095 NPOVTZCIZJWWPE-ZJUUUORDSA-N 305.356 -0.359 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2C[C@H]3[C@H](N)CC[C@H]3C2)nn1 424545659 MASOYWYDTCTFTB-CYZMBNFOSA-N 318.381 -0.724 30 20 DBED C#CCNC(=O)CCN1CCC(N(C)S(C)(=O)=O)CC1 491166658 TZLMJYRVTONLFW-UHFFFAOYSA-N 301.412 -0.518 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(C)ncn2)C1=O 525131341 QPIKVDICMCMXAU-UHFFFAOYSA-N 303.278 -0.300 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)c2nc(N)nc(N(C)C)n2)C1=O 567119364 IIVAOYJPDCXCDR-VIFPVBQESA-N 319.369 -0.621 30 20 DBED N#Cc1ncn(CCNC(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@@H]2[C@H]4O)n1 574110798 PDYUNBWEBDWUQN-TXDRYBTRSA-N 302.338 -0.440 30 20 DBED COC(=O)CC[C@H](NS(=O)(=O)N(C)[C@@H](C)CC#N)C(=O)O 579599544 SAGIPSUFJWONGQ-IUCAKERBSA-N 321.355 -0.539 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(Cc2cnc(C)nc2)c1=O 580198150 UEXDVTHFYWJOND-UHFFFAOYSA-N 315.333 -0.310 30 20 DBED C=C(C)CN(CC)C(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 595989640 SNTXBXBMNCUORN-NEPJUHHUSA-N 308.382 -0.819 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)N[C@@H]2CCOC[C@H]2O)cc1 600591225 MPZLHOAOIZDMPY-CHWSQXEVSA-N 303.318 -0.446 30 20 DBED CN1CCN(CCCS(=O)(=O)N2CCOC[C@@H]2C#N)CC1 601357447 CIWKNVOJKIZSGN-ZDUSSCGKSA-N 316.427 -0.822 30 20 DBED C=CCOCC(=O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 613975973 ZWQQWLKPBLLFRS-UHFFFAOYSA-N 314.367 -0.555 30 20 DBED CN1CC[C@H](C(=O)N(CCC#N)CCN2CCOCC2)C1=O 614266387 LXTDIYRZTLPHMN-ZDUSSCGKSA-N 308.382 -0.461 30 20 DBED CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CC[C@@](F)(C#N)C1 615589265 GLBLMUBJVMQBAS-SMDDNHRTSA-N 310.329 -0.422 30 20 DBED C=C[C@H](CO)NC(=O)[C@H](C)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 620590545 ODSDFJRNTUOAEZ-HDYISPSHSA-N 308.334 -0.800 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)Cc2n[nH]c(C)n2)CC1 665757663 RQFGXYWRMTUXDD-UHFFFAOYSA-N 306.370 -0.898 30 20 DBED CN(CCNS(C)(=O)=O)S(=O)(=O)c1ccc(C#N)s1 690928326 WFFJVCREHUZHPC-UHFFFAOYSA-N 323.421 -0.211 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCCNS(=O)(=O)CC 730281570 MMRPPWZJGAARMP-LBPRGKRZSA-N 301.412 -0.470 30 20 DBED C=CCOCC(=O)NS(=O)(=O)c1ccc(C(N)=O)s1 732615534 IKMMROPFKHXJOS-UHFFFAOYSA-N 304.349 -0.146 30 20 DBED N#C[C@@H]1COCCN1CN1C(=O)C(=O)N(C2CCCC2)C1=O 742167758 ILFMKJJMBJOCLB-LLVKDONJSA-N 306.322 -0.098 30 20 DBED C#CCOCCC(=O)N(CCN(C)C)[C@@H]1CCS(=O)(=O)C1 755952898 ZINHQAUZMMQGBT-CYBMUJFWSA-N 316.423 -0.396 30 20 DBED CC(C)C(CS(=O)(=O)N(C)C)=NNCCS(C)(=O)=O 794913354 TYUTZWKFGMDTTM-UHFFFAOYSA-N 313.445 -0.476 30 20 DBED C#CCC[C@@H](O)CNS(=O)(=O)N1CCC2(CC1)OCCO2 798486349 QDPIAXQPDOAODG-GFCCVEGCSA-N 318.395 -0.566 30 20 DBED COC(=O)[C@@H]1[C@H]2CN(S(=O)(=O)N(C)C[C@@H](C)C#N)C[C@H]21 813742513 WXDIBACTJHOXRA-UKKRHICBSA-N 301.368 -0.327 30 20 DBED C#CCOc1ccccc1CNC(=O)C(=O)NCCC(=O)O 817110596 IEHUWFSAGPKYAB-UHFFFAOYSA-N 304.302 -0.094 30 20 DBED C#CCN(CC(=O)N[C@@H]1CN(C)NC1=O)C(=O)OC(C)(C)C 831686139 KYZPEUDUQOTSQS-SNVBAGLBSA-N 310.354 -0.682 30 20 DBED N#CCN(CC(=O)O)C(=O)CN1CCN(c2ccccn2)CC1 833066210 QHKLOGGRNSGIIF-UHFFFAOYSA-N 317.349 -0.360 30 20 DBED N#C[C@H]1CNC[C@@H]1NC(=O)Cn1c(=O)nc(O)c2ccccc21 834516771 LUGFSRJHRYSWLA-ONGXEEELSA-N 313.317 -0.670 30 20 DBED CCOC(=O)c1cc(C=NN[C@H]2CCS(=O)(=O)C2)[nH]n1 842522468 KKXSFGTXIFIHHD-QMMMGPOBSA-N 300.340 -0.303 30 20 DBED C[C@@](C#N)(NC(=O)COC(=O)C1(n2cnnn2)CC1)C1CC1 849992345 ADFIBHIQKTUGON-LBPRGKRZSA-N 304.310 -0.486 30 20 DBED CCOCCCNC(=O)[C@H](C#N)C(=O)c1ccn2nnnc2c1 850751814 GUTOVGILXBECOH-LLVKDONJSA-N 316.321 -0.010 30 20 DBED C#CCN1CCC[C@@H](NC(=O)N(C)CCNC(=O)N(C)C)C1 890367020 HOHXKFPDQDAWNH-CYBMUJFWSA-N 309.414 -0.003 30 20 DBED O=C(NCC#CCO)NC[C@@H](N1CCOCC1)C(F)(F)F 923769074 KSHBARMOSQIOLK-SNVBAGLBSA-N 309.288 -0.456 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)[C@H]3COC(=O)N3)C2)[nH]1 937845456 XZIUJGGPPKOHPE-GXSJLCMTSA-N 317.305 -0.675 30 20 DBED CN1CCO[C@H](C(=O)N[C@@H]2CCN(C(=O)C#CC3CC3)C2)C1 939863630 HNBXTKRYTPOGGV-KGLIPLIRSA-N 305.378 -0.553 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CCN(C(=O)[C@H]3CCNC3=O)C2)c[nH]1 940095289 OWADPOAEUGWWAU-PWSUYJOCSA-N 315.333 -0.647 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)[C@H]1CCOC1 950755985 ZCVDYZIRBDWYLD-KKUMJFAQSA-N 319.405 -0.162 30 20 DBED C#Cc1cncc(C(=O)N2CC(N(C)C(=O)c3ncn(C)n3)C2)c1 954212550 LTIAOLKWODACPB-UHFFFAOYSA-N 324.344 -0.212 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2ccc3c(n2)OCCO3)C1 958214535 JAMSGCUURXTUHD-DGCLKSJQSA-N 317.345 -0.492 30 20 DBED CC#CCN1C[C@@H](O)[C@H](CNC(=O)c2cnc(O)cc2OC)C1 958412492 FBDYYWLWRCXIEV-DGCLKSJQSA-N 319.361 -0.158 30 20 DBED C=CCN1C[C@H](CNC(=O)C2CCS(=O)(=O)CC2)[C@@H](O)C1 958445252 VZHSSBLEQRUAEK-STQMWFEESA-N 316.423 -0.594 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](CNC(=O)c2nccnc2C(N)=O)C1 958655106 ZZKHXDXHFHMCPL-MNOVXSKESA-N 319.365 -0.826 30 20 DBED Cc1nnccc1C(=O)N(C)[C@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1O 958902335 IWRUYHSCAPTKSH-ICCXJUOJSA-N 317.349 -0.412 30 20 DBED C#CCCN1C[C@H]2C(NC(=O)[C@H](C)N3C(=O)CCC3=O)[C@@H]2C1 960169270 VBMDJJKPAPEXDK-QJPTWQEYSA-N 303.362 -0.406 30 20 DBED C#CCN1C[C@@H]2C(NC(=O)c3cn4nc(C)cc4[nH]c3=O)[C@H]2C1 962064856 HETKUNXKULDSDI-QWRGUYRKSA-N 311.345 -0.376 30 20 DBED COc1c(O)nc(O)nc1C(=O)NC1[C@H]2CN(CC#N)C[C@H]12 962278459 GYLGVRCGNBZWNR-BQBZGAKWSA-N 305.294 -0.920 30 20 DBED N#CCN1C[C@H]2[C@H](NC(=O)c3cccc(-n4cnnn4)c3)[C@H]2C1 962513280 ZZIMFWVRYFBPBV-WDNDVIMCSA-N 309.333 -0.154 30 20 DBED CC#CCN1CC([C@H](C)NC(=O)c2cnc(O)n(C)c2=O)C1 970262372 RYAKZRGUVJJTKE-JTQLQIEISA-N 304.350 -0.441 30 20 DBED CC#CCN1CCO[C@]2(CCN(C(=O)[C@@H]3COCCN3C)C2)C1 972348003 DRHIPHKZXCDCGZ-DOTOQJQBSA-N 321.421 -0.356 30 20 DBED C#CCN1C[C@@H]2C(CNC(=O)[C@H]3C[C@H](OC)CN3C(C)=O)[C@H]2C1 978527217 QVZHHLAVVGGVCL-LCGIIJARSA-N 319.405 -0.451 30 20 DBED C[C@@H](C#N)C(=O)N1CC([C@H](C)NC(=O)c2cn(C)c(=O)n2C)C1 1006278185 IKOLGMCYKDCNQN-UWVGGRQHSA-N 319.365 -0.540 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C(N)=O)CC1(C)C 1008192598 FMULQUMONHWTFE-GRYCIOLGSA-N 323.393 -0.194 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C(=O)c2cccn3nnnc23)CC1 1011183717 QNSGHQXYQAYUPA-SNVBAGLBSA-N 313.321 -0.432 30 20 DBED C=C(C)C(C)(C)C(=O)N1C[C@H]2C(NC(=O)Cn3cnnn3)[C@@H]2C1 1012748675 BQSKBKKTXYCYJH-GHMZBOCLSA-N 318.381 -0.152 30 20 DBED O=C(C#CC1CC1)N1CC[C@H](NCC(=O)N2CCOCC2)C1 1018826547 GWCOXXMOQWOJLU-AWEZNQCLSA-N 305.378 -0.551 30 20 DBED C=C(Br)CN[C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 1019307518 IZGOYWCMSMENQN-DTWKUNHWSA-N 317.187 -0.233 30 20 DBED CO[C@H]1C[C@H](C(=O)NC[C@@H]2CCCN(CC#N)C2)N(C(C)=O)C1 1023508000 FWNYXRPTCURGHZ-SOUVJXGZSA-N 322.409 -0.026 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2CCN([C@@H]3CCNC3=O)C2)nn1 1028850942 BOWPOKMRTSKFNW-DGCLKSJQSA-N 318.381 -0.596 30 20 DBED N#Cc1ccc(F)cc1CN1CC(NC(=O)[C@@H]2CNC(=O)N2)C1 1030878680 VGCNPICMVBBUDC-ZDUSSCGKSA-N 317.324 -0.321 30 20 DBED N#CCN1CCO[C@H](CNC(=O)c2cc3c(cn2)OCCO3)C1 1035396918 ALNIGSFFSXOUGN-LLVKDONJSA-N 318.333 -0.193 30 20 DBED C#CCCN1CCO[C@H](CNC(=O)c2ccc(=O)n(C)c2)C1 1035427225 FEWPXQDOOYITNO-CQSZACIVSA-N 303.362 -0.161 30 20 DBED C#CCN1CCO[C@H](CNC(=O)c2cccc(C(=O)NC)n2)C1 1035592814 JLCPYQYDBVBTBI-GFCCVEGCSA-N 316.361 -0.495 30 20 DBED C=CCN1CC2(CCN(C(=O)CN3CC(=O)NC3=O)CC2)C1 1035823104 FKSFEAIDEWBSLJ-UHFFFAOYSA-N 306.366 -0.351 30 20 DBED C[C@@H]1CN(C(=O)c2nccnc2C(N)=O)CC[C@H]1NCC#N 1036286664 RHHAJWBRYMAINW-NXEZZACHSA-N 302.338 -0.461 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CCC[C@H](C1)N2Cc1nnnn1C 1039531298 LVAMNBBKXVKRLZ-UTUOFQBUSA-N 303.370 -0.065 30 20 DBED Cc1nnc(CC(=O)N2CC[C@@](O)(CNC(=O)[C@@H](C)C#N)C2)o1 1040759607 BQVABRLPVBIPIV-LKFCYVNXSA-N 321.337 -0.840 30 20 DBED C[C@@H]1CC[C@H](C(=O)N[C@@H]2CN(c3nccnc3C#N)C[C@H]2O)O1 1041359197 GIXNEGNTAOEYTC-OJAKKHQRSA-N 317.349 -0.419 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)[C@H](OC)C2CC2)C1 1042039689 HQOANELYDRBFAS-CYBMUJFWSA-N 312.366 -0.697 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)[C@@]2(C)CNC(=O)C2)C1 1042805513 PGOLRZIHZUZDBF-OAHLLOKOSA-N 321.377 -0.994 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(O)CN(C(=O)C2=COCCC2)C1 1042806590 IELOYRJXFAHANQ-OAHLLOKOSA-N 324.377 -0.303 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(O)CN(C(=O)COCC)C1 1042809125 IMBTWZZOOZVAMZ-ZDUSSCGKSA-N 300.355 -0.961 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)[C@@H]2CC2(F)F)C1 1042920365 PDVKVVKZWHYRCN-ZJUUUORDSA-N 316.304 -0.631 30 20 DBED C[C@H]1C[C@@H](NCC#N)CCN1C(=O)CN1CCN(C)C(=O)C1 1044658421 NESVTNZIPIEHFK-STQMWFEESA-N 307.398 -0.747 30 20 DBED C=C[C@H](C)[C@H](C)C(=O)N1CC(O)(CNC(=O)C2(C(N)=O)CC2)C1 1045493330 FUWDPTKDNOAZQO-QWRGUYRKSA-N 323.393 -0.600 30 20 DBED C[C@H]1C[C@H]1CC(=O)NCC1(O)CN(C(=O)CSCC#N)C1 1045743601 DOPRCXHOGPFGCI-QWRGUYRKSA-N 311.407 -0.021 30 20 DBED N#CCN1CC[C@@H](N2CCN(C(=O)c3cnns3)CC2)C1 1046008323 RWPZGSMMMYMIDZ-LLVKDONJSA-N 306.395 -0.106 30 20 DBED N#Cc1nccnc1N[C@H]1C[C@@H](CNC(=O)[C@H]2CCC(=O)N2)C1 1046298365 UVIDJSIPOKRWRC-OUAUKWLOSA-N 314.349 -0.066 30 20 DBED C=CCn1cc(C(=O)N(C)[C@H]2CN(CC#CC)C[C@@H]2O)nn1 1047554250 QNYOKDWFCMDDEW-KBPBESRZSA-N 303.366 -0.396 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C)on2)C1 1048170244 CTSCUBAPWTUZFC-STQMWFEESA-N 323.349 -0.171 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1CNCc1nc(=O)n(C)[nH]1 1048252874 KQYIYYWJOPTITD-DGCLKSJQSA-N 317.393 -0.294 30 20 DBED CC(C)C#CC(=O)N(C)[C@H]1CN(C(=O)[C@H]2CCN(C)C2)C[C@@H]1O 1048813408 BAQCOBIJNCGWBO-KKUMJFAQSA-N 321.421 -0.372 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)Cc2ncc[nH]2)C[C@@H]1O 1049394334 JDIHHDWBEZNXCL-DCAQKATOSA-N 305.338 -0.858 30 20 DBED CCC(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@@H]1n1ccnn1 1051391912 XLDSUQQISKYANW-NEPJUHHUSA-N 312.337 -0.104 30 20 DBED N#Cc1cccc(CNC[C@@H]2CN(C(=O)C(N)=O)CCO2)c1 1051796731 VAOVMSOSQVICKY-CYBMUJFWSA-N 302.334 -0.639 30 20 DBED N#Cc1ccc(NC2CC(CNC(=O)[C@@H]3CCC(=O)N3)C2)nn1 1051971717 KMHWPTXVJIFBOI-NHNAUAITSA-N 314.349 -0.066 30 20 DBED C#CCOCCC(=O)N1C[C@H](CNC(=O)c2cnn[nH]2)[C@@H](C)C1 1052591820 DRWIFFAPDTUZDE-RYUDHWBXSA-N 319.365 -0.331 30 20 DBED Cc1nn(CC(=O)N[C@H]2CCCN(CC#N)CC2)c(=O)n1C 1052902097 XFOJPWTVEKJNEX-LBPRGKRZSA-N 306.370 -0.616 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)c1coc(C(N)=O)c1)CCO2 1053358914 FRFMMDYKIFBSQC-UHFFFAOYSA-N 317.345 -0.071 30 20 DBED C#CCN1CC2(CC[C@H](CNC(=O)c3nnn(C)c3C)O2)C1 1053585506 HSFVICVLMPVSNM-GFCCVEGCSA-N 303.366 -0.280 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)c3cc(=O)c(OC)co3)CO2)C1 1053871313 CAPZQMUDKXHVIF-LLVKDONJSA-N 318.329 -0.145 30 20 DBED CN1C[C@H](C(=O)N2CCC[C@@]3(CCN(CC#N)C3)C2)NC1=O 1054177371 KMMJLAUIHPISJJ-DOMZBBRYSA-N 305.382 -0.152 30 20 DBED C#CCN[C@@H]1CN(C(=O)Cc2ccc(C(N)=O)nc2)C[C@@H]1C 1054798673 XUNGIIXNDQRAQJ-SMDDNHRTSA-N 300.362 -0.207 30 20 DBED C=CCCC(=O)N1CCC[C@](CO)(NC(=O)[C@H]2C[C@H]2C(N)=O)C1 1056128404 PDUUVNWBPCFJBG-WQGACYEGSA-N 323.393 -0.456 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)CC(N)=O 1056324007 JKABHEUSJRRWAR-OZVIIMIRSA-N 323.393 -0.219 30 20 DBED N#Cc1nccnc1N1C[C@H]2C(NC(=O)c3c[nH]c(=O)cn3)[C@@H]2C1 1056388080 AVISKYKFLSGPKE-RKDXNWHRSA-N 323.316 -0.704 30 20 DBED Cn1cc(C(=O)N2CCCN(c3cnc(C#N)cn3)CC2)nn1 1057136140 ZCLZJZPTRKIOOC-UHFFFAOYSA-N 312.337 -0.171 30 20 DBED N#Cc1ccc(N2CCCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)nn1 1057235737 DBGRCJRDCJPEEX-NEPJUHHUSA-N 314.349 -0.492 30 20 DBED N#Cc1ccc(C(=O)N(CCO)CCNC(=O)c2cn[nH]c2)[nH]1 1057367343 WWHYXFRPVHRTSR-UHFFFAOYSA-N 316.321 -0.526 30 20 DBED CC(C)(C)C#CC(=O)N(CCO)CCNC(=O)c1cnon1 1057539486 ZZCWDXGDFHARJU-UHFFFAOYSA-N 308.338 -0.330 30 20 DBED N#Cc1nccc(N2CC[C@@H](NC(=O)[C@H]3CCNC(=O)C3)C2)n1 1058336107 NJDAIBJDJXZVBR-WDEREUQCSA-N 314.349 -0.431 30 20 DBED Cc1cc(C#N)nc(N2CC[C@H](NC(=O)[C@H]3COC(=O)N3)C2)n1 1058350993 XQOXADYBWNMXJV-GXSJLCMTSA-N 316.321 -0.540 30 20 DBED N#Cc1cncc(N2CCC[C@H]2CNC(=O)[C@@H]2CCC(=O)N2)n1 1061378909 ASWKRGFBVDNJGQ-RYUDHWBXSA-N 314.349 -0.288 30 20 DBED N#Cc1ccc(N2CC[C@@H](CNC(=O)[C@@H]3CCNC3=O)C2)nn1 1061694622 LJUMFAHPKJNREE-CMPLNLGQSA-N 314.349 -0.573 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCOC[C@@H]1CNC(=O)c1cnon1 1061806436 ODYJDYCWQJEMPA-HZMBPMFUSA-N 324.337 -0.646 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)CCc1cn[nH]c1 1061853822 UXBJPECISPJJJA-YPMHNXCESA-N 319.365 -0.154 30 20 DBED CN(C(=O)Cn1ncnn1)[C@@H]1CCN(c2cnc(C#N)cn2)C1 1062980051 IMJVZMJJEDTTQH-LLVKDONJSA-N 313.325 -0.928 30 20 DBED N#Cc1nccnc1N1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1c[nH]c(=O)cn1 1064334349 QGKQGKLMCPHLOF-YDEJPDAXSA-N 323.316 -0.561 30 20 DBED C#CCCCC(=O)N1CCO[C@@H](CNC(=O)[C@H](C)CC(N)=O)C1 1065090725 OKQXGQARSDEIOB-OLZOCXBDSA-N 323.393 -0.355 30 20 DBED C#CCCCCCC(=O)N1CCO[C@@H](CNC(=O)CC(N)=O)C1 1065429466 RNIHDKZZLWIQHV-ZDUSSCGKSA-N 323.393 -0.211 30 20 DBED C[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@@H]1N=c1cc[nH]c(C#N)n1 1067049468 LXYRLRXIWJGGJU-ZJUUUORDSA-N 323.378 -0.926 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](CNC(=O)c3cccnn3)C2)nc1 1067679130 ZVAFJANEFKAWCM-TZMCWYRMSA-N 324.344 -0.030 30 20 DBED C=CCCC(=O)N1CCOC2(C1)CN(C(=O)CNC(=O)NC)C2 1068344215 KNKMMWCZJHIBRZ-UHFFFAOYSA-N 324.381 -0.679 30 20 DBED C=CCCC(=O)N1CCOC2(C1)CN(C(=O)CNC(=O)CC)C2 1068346000 GWFOIDPZXOHQBN-UHFFFAOYSA-N 323.393 -0.081 30 20 DBED C=CCCC(=O)N1CC2(CN(C(=O)CNC(=O)CC)CCO2)C1 1068358384 FRXSKMHQKWEIQL-UHFFFAOYSA-N 323.393 -0.081 30 20 DBED C#CCOCCC(=O)NC[C@H]1CCC2(CN(C(=O)COC)C2)O1 1068572493 JEOHWKGQUDMGTO-CYBMUJFWSA-N 324.377 -0.451 30 20 DBED C#CCOCCC(=O)N1CC2(C[C@H](NC(=O)C(F)F)CO2)C1 1068642157 OALVGKSXCBCSAS-JTQLQIEISA-N 316.304 -0.223 30 20 DBED C=CCOCC(=O)N1CCC[C@@H](NC(=O)c2nnn(C)n2)C1 1070553968 BKEJYFXUQDNZSH-SNVBAGLBSA-N 308.342 -0.867 30 20 DBED CC#CCN1C[C@H]2C[C@@H]3CN(C(=O)c4cnnn4C)C[C@@]3(C1)O2 1070794146 ZDQMARMYLZMRQH-XJKCOSOUSA-N 315.377 -0.246 30 20 DBED CC#CCN1C[C@H]2C[C@H]3CN(C(=O)[C@@H]4CCC(=O)N4)C[C@@]3(C1)O2 1070882582 WSPPLIMIBZTWLV-QDEZUTFSSA-N 317.389 -0.410 30 20 DBED Cc1cnn(CC(=O)N2CCC(=O)NCCN(CC#N)CC2)c1 1070943659 YNPKQNAWOGXKAZ-UHFFFAOYSA-N 318.381 -0.634 30 20 DBED CO[C@@H]1CCC[C@@H]1C(=O)N1CCC(=O)NCCN(CC#N)CC1 1070976954 WYWNOUSSMCTDFA-UONOGXRCSA-N 322.409 -0.024 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CCCN(C(=O)C2(C(N)=O)CC2)C1 1071217101 DCBHMAAUOPPJRC-VXGBXAGGSA-N 321.377 -0.603 30 20 DBED C[C@H]1CC[C@@H](NC(=O)Cn2ccc(O)nc2=O)CN1CC#N 1071659329 IJWDSCRGIJHHJW-WDEREUQCSA-N 305.338 -0.558 30 20 DBED C#CCCN1C[C@H](NC(=O)CN2C(=O)CNC2=O)CC[C@@H]1C 1072054276 AGLIPBJBXOABEY-NWDGAFQWSA-N 306.366 -0.469 30 20 DBED C[C@H]1CN(C(=O)CCNC(N)=O)C[C@H]1NC(=O)C#CC1CC1 1072066251 MEFXNSFDIJOVHJ-CMPLNLGQSA-N 306.366 -0.579 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1C 1072184168 RLZLZTWNNVGFOS-VXGBXAGGSA-N 307.354 -0.556 30 20 DBED CNC(=O)NCC(=O)N[C@@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1C 1074011562 UDSKAVKDKUZMJH-WCQYABFASA-N 320.393 -0.318 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CCN(C(=O)c2cnnn2C)CC1 1074569956 ZYSWGVZUQSLBPI-JTQLQIEISA-N 320.353 -0.942 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)c2cc(=O)n(C)cn2)C1 1077161338 VAFRHDOBQBRUMX-GHMZBOCLSA-N 312.757 -0.692 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2Cc3ccccc3CO2)C1 1078104349 BKPUSWAXLNZJLB-OAGGEKHMSA-N 300.358 -0.078 30 20 DBED CCN(C(=O)CCc1nc[nH]n1)C1CN(C(=O)[C@H](C)C#N)C1 1079573114 QUEIJRVDQNHBMS-SNVBAGLBSA-N 304.354 -0.044 30 20 DBED C#CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)c2ncn(C)n2)C1 1079775411 XWYHYIGZYIKBNP-LLVKDONJSA-N 319.365 -0.474 30 20 DBED CC(F)(F)C(=O)N1C[C@@H](O)[C@H](CNC(=O)CSCC#N)C1 1081286242 JDOVTBJHTNMCKO-RKDXNWHRSA-N 321.349 -0.166 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cn[nH]c2)C1 1081295108 MMSKZZBWHHBPPT-NEPJUHHUSA-N 308.338 -0.839 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)C2(C(=O)NC)CC2)C[C@@H]1O 1081335391 KSSXGLPLDCTILY-NEPJUHHUSA-N 323.393 -0.586 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)Cc2ccn(C)n2)C[C@@H]1O 1081336236 VVZNAMWAHANKSO-JSGCOSHPSA-N 320.393 -0.136 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@H](CNC(=O)Cc2ccon2)C1 1081366090 UXURQDFLGVVQMV-OCCSQVGLSA-N 319.361 -0.044 30 20 DBED COCCn1cc(C(=O)N[C@@H]2CN(CC#N)C[C@H]2OC)c(C)n1 1081662181 QCRBMFJRPBFFBP-ZIAGYGMSSA-N 321.381 -0.210 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@H]1CNC(=O)C(N)=O 1082303265 WBLNXSAHOBBKIX-TUAOUCFPSA-N 309.366 -0.440 30 20 DBED C=CCN1CC[C@H](NC(=O)C2(n3cnnn3)CCOCC2)[C@H]1C 1088912610 ICJHVDTYZCLRPI-OLZOCXBDSA-N 320.397 -0.056 30 20 DBED Cc1nc(O)nc(O)c1CC(=O)N[C@H]1CCN(CC#N)[C@@H]1C 1088937990 POZPRMOSRNWJCN-KOLCDFICSA-N 305.338 -0.159 30 20 DBED C=CCCN1CC[C@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)[C@H]1C 1089046267 AYLWVCREIAWTJK-WOPDTQHZSA-N 301.412 -0.167 30 20 DBED C[C@H](C[C@@H](C)NC(=O)Cc1nc[nH]n1)N=c1cc[nH]c(C#N)n1 1089393370 JNZKMFFEHOBASC-NXEZZACHSA-N 314.353 -0.174 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)C1(C(N)=O)CC1)N=c1cc[nH]c(C#N)n1 1089463587 FEXKEKOCFVSTEB-VHSXEESVSA-N 316.365 -0.269 30 20 DBED C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC(=O)NC(=O)N1 1089703491 KRFDVFCAOOGXLV-NEPJUHHUSA-N 320.393 -0.176 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2ccnn2CCOC)[C@H](O)C1 1090349404 LWSMUBBMTDRGDR-DZGCQCFKSA-N 320.393 -0.282 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2cnc3nccn3c2)[C@@H](O)C1 1090430940 QWZFFQVCYXXFTG-KGLIPLIRSA-N 313.361 -0.082 30 20 DBED Cc1nc2nccc(C(=O)NCCNc3ccc(C#N)nn3)n2n1 1093759988 JFNREFZGLRVAPS-UHFFFAOYSA-N 323.320 -0.064 30 20 DBED Cn1ncnc1COCC(=O)NCCNc1ccc(C#N)nn1 1093828768 BXSZQKDNIBDSKO-UHFFFAOYSA-N 316.325 -0.778 30 20 DBED CN1C(=O)CC[C@@H]1CC(=O)NCCNc1cncc(C#N)n1 1094055449 GEAITBJDGIXUSO-LLVKDONJSA-N 302.338 -0.113 30 20 DBED N#Cc1cncc(NCCNC(=O)c2cn3c(n2)COCC3)n1 1094229538 VEDYWUFZSAKCEV-UHFFFAOYSA-N 313.321 -0.083 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)c3cn(C)cn3)CC2=O)C1 1094721786 KSNPRUTYXXUJMB-LLVKDONJSA-N 301.350 -0.932 30 20 DBED C=C(C)CN1CC(N2C[C@H](NC(=O)[C@@H]3COC(=O)N3)CC2=O)C1 1094730335 YHBCZUCONQETAU-PWSUYJOCSA-N 322.365 -0.928 30 20 DBED Cc1cc(C#N)nc(NCCCNC(=O)[C@@H]2CNC(=O)N2)n1 1094751426 ODDYLKJYTMKOJC-JTQLQIEISA-N 303.326 -0.744 30 20 DBED C#CCN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN1C(=O)CN(C)C1=O)C2 1095052724 YHUNFJPASDZQOV-XQQFMLRXSA-N 318.377 -0.517 30 20 DBED CC(C)(C(N)=O)C(=O)N[C@@H]1CCN(c2nccnc2C#N)C1 1096444945 RRNRHOGAZFSARW-SECBINFHSA-N 302.338 -0.445 30 20 DBED N#Cc1cncc(N2CC[C@@H](NC(=O)C3(C(N)=O)CC3)C2)n1 1096477311 XCRXMZSBTSPVSF-SECBINFHSA-N 300.322 -0.691 30 20 DBED C[C@@H](CC(N)=O)C(=O)N[C@H]1C[C@H](N=c2cc[nH]cc2C#N)C1 1097086688 UWNCSCKOQBNANL-DLOVCJGASA-N 301.350 -0.054 30 20 DBED Cc1cc(=N[C@H](C)CNC(=O)CN2CCOCC2)c(C#N)c[nH]1 1097783880 RCLKYAZFTAPHHO-CYBMUJFWSA-N 317.393 -0.068 30 20 DBED CCc1nc(C#N)cc(N[C@H](C)CNC(=O)[C@H]2C[C@H]2C(N)=O)n1 1098270670 NLFWFJIDTPGSFN-IEBDPFPHSA-N 316.365 -0.051 30 20 DBED C=CCNCc1cn([C@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)C2)nn1 1098705174 AFRDZLXACPNWDJ-RYUDHWBXSA-N 319.369 -0.992 30 20 DBED C#CCN1C[C@H](NC(=O)CC(=O)NC)CC2(CCOCC2)C1 1099576391 CLOPOXDFXQPYGC-CYBMUJFWSA-N 307.394 -0.257 30 20 DBED Cn1ncnc1CN1CC[C@H](NC(=O)CSCC#N)[C@@H](O)C1 1099692809 HPTGZSNVPLGNTB-QWRGUYRKSA-N 324.410 -0.877 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2cccc(O)n2)[C@@H](O)C1 1099754922 KADLYYCIGQXAQG-OCCSQVGLSA-N 319.361 -0.398 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)c2cnnc(O)c2)[C@H](O)C1 1099885328 LNTAWUNGDKGNMF-QWHCGFSZSA-N 322.365 -0.450 30 20 DBED Cc1cc(C#N)nc(N(C)CCNC(=O)[C@H](C)NC(N)=O)n1 1100025828 XULNSAKZJFHTMJ-VIFPVBQESA-N 305.342 -0.734 30 20 DBED C#CCNC(=O)CC(=O)NCCN(C)c1ncnc(CC)c1F 1100037912 ZTTYJODQMWXHKA-UHFFFAOYSA-N 321.356 -0.130 30 20 DBED N#Cc1nccnc1N1CCC[C@H]1CNC(=O)Cn1ncnn1 1100868342 VJVUWVDGSYPGHJ-JTQLQIEISA-N 313.325 -0.880 30 20 DBED CCc1nc(C#N)cc(N(CCNC(=O)CC(N)=O)C2CC2)n1 1101307750 DDWPUIZYSWTAAS-UHFFFAOYSA-N 316.365 -0.129 30 20 DBED CCN(C(=O)CC(=O)NC)[C@H]1CCN(c2cnc(C#N)cn2)C1 1102795441 FSZJRSNLZAORPC-LBPRGKRZSA-N 316.365 -0.088 30 20 DBED CC(C)[C@@H](O)C(=O)NC[C@@H]1CN(c2ccc(C#N)nn2)CCO1 1104305292 LILWWMCRWUPNBX-TZMCWYRMSA-N 319.365 -0.313 30 20 DBED CN(CCN(C)c1cnc(C#N)cn1)C(=O)c1cnnn1C 1105392933 CKHRHZNCFZAIGK-UHFFFAOYSA-N 300.326 -0.315 30 20 DBED CN(CCN(C)c1cncc(C#N)n1)C(=O)[C@H]1CCC(=O)NC1 1105599973 WAZROKDEBDNMLR-NSHDSACASA-N 316.365 -0.231 30 20 DBED Cc1[nH]nc(C(=O)NC[C@@H](O)CNc2ccc(C#N)nc2)c1O 1105819553 FZGQKRSNASJXSQ-NSHDSACASA-N 316.321 -0.107 30 20 DBED C[C@H](C(=O)NC[C@H](O)CNc1nccnc1C#N)n1cncn1 1105829470 SOGPPUKNGYJKIL-NXEZZACHSA-N 316.325 -0.910 30 20 DBED CN1C(=O)CC[C@@H]1C(=O)NC[C@@H](O)CNc1ccc(C#N)cn1 1106069924 FCRUEMINZCBRSR-NWDGAFQWSA-N 317.349 -0.537 30 20 DBED C[C@@]1(C(=O)NC[C@@H](O)CNc2ccc(C#N)cn2)CCC(=O)N1 1106082750 CACVSXHWIPYTDH-NHYWBVRUSA-N 317.349 -0.489 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)NC(=O)CCS(C)(=O)=O 1108198379 SEDZNRVQMGSIQY-SECBINFHSA-N 311.367 -0.879 30 20 DBED C[C@H](CNc1nccnc1C#N)NC(=O)[C@H]1CCC(=O)NC1 1108204003 MBACSFITZJTSRQ-ZJUUUORDSA-N 302.338 -0.209 30 20 DBED N#CCN1CC(N2C[C@H](NC(=O)[C@@H](F)C(F)(F)F)CC2=O)C1 1108548792 WTISSPVVWSHHQS-GMSGAONNSA-N 322.262 -0.188 30 20 DBED COCCOCC(=O)N[C@H](C)CN(C)c1ccc(C#N)nn1 1108882102 KECVEAIKWKLMJT-LLVKDONJSA-N 307.354 -0.048 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H]1COCCO1 1108954419 LMLWYTBHFZGLJF-QPSCCSFWSA-N 308.378 -0.227 30 20 DBED N#Cc1cnc(NC[C@@H](NC(=O)Cn2ncnn2)C2CC2)cn1 1109916953 CMBNNYIQBFGVJU-LLVKDONJSA-N 313.325 -0.658 30 20 DBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H]1CCOC1 1110367819 XYAYFQABTSNUEJ-LOWDOPEQSA-N 306.366 -0.616 30 20 DBED N#Cc1ccc(N2CC[C@](O)(CNC(=O)[C@@H]3CCCO3)C2)nn1 1111032137 SWBYOJRELWDNAO-WFASDCNBSA-N 317.349 -0.415 30 20 DBED N#Cc1cnc(NCCN(CCO)C(=O)c2cnns2)cn1 1111425320 DNPCLTQCWFPYQR-UHFFFAOYSA-N 319.350 -0.254 30 20 DBED C[C@@H]1C[C@H](NC(=O)CC(N)=O)CCN1c1ccc(C#N)nn1 1112459256 GOMSHCDINHWZSQ-NXEZZACHSA-N 302.338 -0.303 30 20 DBED CNC(=O)NCCC(=O)N[C@H](C)[C@@H](C)Nc1cncc(C#N)n1 1113001045 IAQXWGFXTLDFAX-NXEZZACHSA-N 319.369 -0.028 30 20 DBED N#CCSCC(=O)NC1[C@@H]2CN(CCn3cncn3)C[C@@H]12 1113899909 WNQZRQFCHZDHIB-GHMZBOCLSA-N 306.395 -0.419 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)[C@@H](C)OCCC=C)[C@@H]2C1 1113999610 QMTRDEHYPNTETG-MGPQQGTHSA-N 319.405 -0.237 30 20 DBED C=CCOCC(=O)NC1[C@@H]2CN(CCS(C)(=O)=O)C[C@@H]12 1114053960 JDDSLMZAFXSFLP-GHMZBOCLSA-N 302.396 -0.720 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)COCCCC)[C@H]2C1 1114081738 DNGJMYRKTNXDQL-VIKVFOODSA-N 307.394 -0.401 30 20 DBED N#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)C3CC(F)(F)C3)[C@H]2C1 1114120340 PLSULVRCZWNHOZ-IAZYJMLFSA-N 312.320 -0.282 30 20 DBED CCn1nnc(C)c1C(=O)N[C@H]1[C@@H]2CN(CC#CCOC)C[C@@H]21 1114393457 URAFWIXPWGXHJQ-WDNDVIMCSA-N 317.393 -0.084 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)[C@@H](CCC)OCC)[C@@H]2C1 1114719345 FJSUIUZJNSIBNY-MGPQQGTHSA-N 321.421 -0.013 30 20 DBED C[C@@H](C#N)C(=O)NCCOCCN(C)c1ccc2nnnn2n1 1115187347 VXIVRCDPWYEDLL-JTQLQIEISA-N 318.341 -0.752 30 20 DBED C=CCCCN1C[C@H]2C(NC(=O)CS(=O)(=O)N(C)C)[C@@H]2C1 1115189237 ZYGBQKLHWFPPLE-VXGBXAGGSA-N 315.439 -0.110 30 20 DBED C#CCNC1(CNC(=O)Cn2ncn(C)c2=O)CCCCC1 1115608529 QPLWMMYMWRGXHS-UHFFFAOYSA-N 305.382 -0.376 30 20 DBED C[C@H](CN(C)C(=O)[C@@H]1COCCN1C)N=c1cc[nH]c(C#N)n1 1115682231 JPCAVXUGYKTYRU-NEPJUHHUSA-N 318.381 -0.640 30 20 DBED COCCOCCS(=O)(=O)NC1CCN(CC#N)CC1 1116358973 RDCUUOFECMMFRU-UHFFFAOYSA-N 305.400 -0.443 30 20 DBED C#CCC(C)(C)C(=O)OCC(=O)N[C@H]1CCS(=O)(=O)C1 1116611129 UBHTUGWYZWGILX-JTQLQIEISA-N 301.364 -0.118 30 20 DBED N#CCNC(=O)CNC(=O)CSc1nnc(S)s1 1117274012 MHSUFWDGAQCWEY-UHFFFAOYSA-N 303.394 -0.325 30 20 DBED N#CC1CCN(C(=O)C(=O)N2CC[C@@H](N3CCOC3=O)C2)CC1 1118505083 ZLCBCYSUBDHZLN-GFCCVEGCSA-N 320.349 -0.198 30 20 DBED C[C@@](O)(CC(=O)NC[C@H](CO)Nc1ccc(C#N)nn1)C1CC1 1121338701 AZZKKMXXYNCMBI-IUODEOHRSA-N 319.365 -0.212 30 20 DBED CCCN(C)CCC(=O)NC[C@H](CO)Nc1cncc(C#N)n1 1121841183 ZDDWKABSGKVMBX-CYBMUJFWSA-N 320.397 -0.031 30 20 DBED N#Cc1cnc(N[C@@H](CO)CNC(=O)CO[C@H]2CCOC2)cn1 1122072860 ZDHSSCWVEVXPMZ-NEPJUHHUSA-N 321.337 -0.957 30 20 DBED Cc1cc(C#N)nc(N[C@H](CO)CNC(=O)CC(=O)N(C)C)n1 1122635731 KSHQJVHVPLDNJS-NSHDSACASA-N 320.353 -0.976 30 20 DBED C#CCNC(=O)CC(=O)NCCNCc1nnc(CCC)s1 1125981690 FTVBESDKWPODDI-UHFFFAOYSA-N 323.422 -0.164 30 20 DBED COCCN(CCNC(=O)[C@H](C)C#N)c1nccn2nnnc12 1126261594 QOFGYOGWQMTYIM-SNVBAGLBSA-N 318.341 -0.752 30 20 DBED C#CCOCCC(=O)NCCNCC[C@H]1CCS(=O)(=O)C1 1127031881 KZZJUDNHQXAFFI-ZDUSSCGKSA-N 316.423 -0.443 30 20 DBED COCC#CCNCCNC(=O)CC1(CS(C)(=O)=O)CC1 1127200724 BFCCWYZJQFMLAS-UHFFFAOYSA-N 316.423 -0.443 30 20 DBED C#CCN1CCn2ncc(CNC(=O)CN3CCOCC3)c2C1 1128307295 SWSCAOHWRVFYKV-UHFFFAOYSA-N 317.393 -0.720 30 20 DBED COCC#CCNCCNC(=O)[C@H]1CC(=O)N(C(C)(C)C)C1 1128658367 UKLPSGLGSQBVGF-ZDUSSCGKSA-N 309.410 -0.011 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1cccc2c1OCCO2 1128764239 SIGAVAJFHSUHBY-UHFFFAOYSA-N 318.333 -0.583 30 20 DBED C=CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)CCCC(N)=O)C1 1129484822 JZBYVRTYSBQQRE-OLZOCXBDSA-N 320.397 -0.149 30 20 DBED C=CCN[C@@H]1CN(C(=O)[C@@H](C)NC(=O)CC)C[C@@H]1n1ccnn1 1129867674 WONGRUPHRNWKPH-UPJWGTAASA-N 320.397 -0.280 30 20 DBED CC#CCCCC(=O)N1CCC(=O)NCCN(CC(N)=O)CC1 1131374179 OURRHXPBKRHLGI-UHFFFAOYSA-N 322.409 -0.684 30 20 DBED C#CCN1CC[C@@]2(C1)CN(C(=O)C(=O)NCC1CC1)C[C@@H](C)O2 1131692592 JINOOPXOJDYWIE-CXAGYDPISA-N 319.405 -0.162 30 20 DBED CNC(=O)CC(=O)N1CC[C@@H](C)[C@H](CNCC#CCOC)C1 1132774294 ZTDNKCCOUIYAEC-ZIAGYGMSSA-N 309.410 -0.154 30 20 DBED COCC#CCNCCNC(=O)[C@@H]1COCCN1C1CCCC1 1132784069 GUMNGYWVKHXPJX-INIZCTEOSA-N 323.437 -0.015 30 20 DBED C[C@H]1CCN(C(=O)c2cnc(O)n(C)c2=O)C[C@@H]1CNCC#N 1133026774 OVFFDHDQOFDTRP-QWRGUYRKSA-N 319.365 -0.303 30 20 DBED CNC(=O)NC(=O)CN[C@H](C)C[C@H](C)NC(=O)C#CC(C)C 1134344935 NMEQBWXHMBATRR-NEPJUHHUSA-N 310.398 -0.026 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)COC1CCOCC1 1134636967 ZORCXNZLZRJMSY-LBPRGKRZSA-N 311.382 -0.974 30 20 DBED C=C(C)CN[C@@H](C)C[C@@H](C)NC(=O)CNC(=O)CNC(C)=O 1134770683 PYZASFQCOBJBBI-NWDGAFQWSA-N 312.414 -0.312 30 20 DBED C#CCN[C@@H](C)C[C@H](C)NC(=O)CCCn1c(O)nnc1O 1134784390 SYVUOIIYKACBDC-QWRGUYRKSA-N 309.370 -0.024 30 20 DBED CC#CCN[C@@H](C)C[C@@H](C)NC(=O)CNS(=O)(=O)N(C)C 1135568641 RCPGXDGEPKCCJO-NWDGAFQWSA-N 318.443 -0.721 30 20 DBED C[C@H](C[C@@H](C)NC(=O)Cc1cnc[nH]1)NCC(=O)NCC#N 1135575640 JINAIUGDPVQIJN-GHMZBOCLSA-N 306.370 -0.535 30 20 DBED C#CCN[C@@H](C)C[C@@H](C)NC(=O)Cn1[nH]cc2c(=O)ncnc1-2 1135695869 WMQAHOCMDOZIHI-WDEREUQCSA-N 316.365 -0.423 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)C[C@@H](C)n1cccn1 1147097053 QOBMVGBOPUNTEA-CHWSQXEVSA-N 305.382 -0.322 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)C[C@H]1CCOC1)C2 1147269208 ZUYZSCPVUCLVCU-CQSZACIVSA-N 319.405 -0.303 30 20 DBED CC#CCN1CCC2(C1)CN(C(=O)CN(C)S(C)(=O)=O)C2 1147665959 YJQNMZCFZVAPGA-UHFFFAOYSA-N 313.423 -0.565 30 20 DBED C=CCNC(=O)NC(=O)CN1CCCO[C@H](CNC(C)=O)C1 1148962908 WYIRSMCOVNPBMM-GFCCVEGCSA-N 312.370 -0.775 30 20 DBED C=CCN1CCCO[C@@H](CNC(=O)CCNC(=O)COC)C1 1149803795 CWAUDXMYNNNUNB-ZDUSSCGKSA-N 313.398 -0.468 30 20 DBED C[C@@]1(C(=O)NC[C@H]2CN(CC#N)CCCO2)CCC(=O)NC1 1150160276 XPAWSHNFNNTBMA-SWLSCSKDSA-N 308.382 -0.367 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)c1cc(C)ncn1 1152782113 NIESIFXZGARXDI-CYBMUJFWSA-N 317.393 -0.025 30 20 DBED CCN(CC#CCOC)[C@H](C)CNC(=O)[C@H]1COCCN1C 1152835821 WCOLSKOEOHTTAU-HUUCEWRRSA-N 311.426 -0.207 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@@H](C)OC[C@@H]1CCCO1 1153174869 FOMJBQQCRAPFPK-OLZOCXBDSA-N 311.382 -0.974 30 20 DBED CCN(CC#N)[C@H](C)CNC(=O)Cn1ncn2nccc2c1=O 1155573112 WCMLOKYSLWIKHE-LLVKDONJSA-N 317.353 -0.759 30 20 DBED CCN(CC#N)[C@H](C)CNC(=O)c1cn(C)c(=O)n(C)c1=O 1155607619 RNNHHWALJDENLR-SNVBAGLBSA-N 307.354 -0.952 30 20 DBED C=CCN(CC=C)C(=O)CNCCCNC(=O)[C@H]1CCC(=O)N1 1155753100 NBRVHOBVGCXARN-CYBMUJFWSA-N 322.409 -0.439 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)c1cc(C)ncn1 1156677882 JUHIBHNFFYQIMM-GFCCVEGCSA-N 303.366 -0.368 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)c1cc(C)ncn1 1156677883 JUHIBHNFFYQIMM-LBPRGKRZSA-N 303.366 -0.368 30 20 DBED COCC#CCNCCCNC(=O)[C@@H]1CCS(=O)(=O)C1 1162043639 AIHBSOVAZMTNEI-GFCCVEGCSA-N 302.396 -0.833 30 20 DBED C#CCNC(=O)CNCC1(CCNC(=O)[C@H]2CCCO2)CC1 1163304745 UAYOTFUQYYYJLB-CYBMUJFWSA-N 307.394 -0.209 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1 1167108212 HUUPBFSFIZRDSX-UONOGXRCSA-N 317.393 -0.631 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@H]1CCC[C@@H](C(N)=O)C1 1167504796 PKOUGXKYUGCLFM-OLZOCXBDSA-N 324.425 -0.324 30 20 DBED Cc1c(C(=O)NCCCNCC(=O)NCC#N)nnn1C(C)C 1169559106 FKDMRWUQBAQWFS-UHFFFAOYSA-N 321.385 -0.483 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)CCCCNCC(=O)NCC 1170310586 KFDORSLTBMPYPE-CYBMUJFWSA-N 324.425 -0.473 30 20 DBED C#Cc1ccc(C(=O)NCCCN[C@H]2CCC(=O)NC2=O)nc1 1171585495 WXFNYJSIDBXLDP-ZDUSSCGKSA-N 314.345 -0.422 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)COCCCOC)C[C@H]21 1177131586 PTRRTDAMEPSFSL-CABCVRRESA-N 310.394 -0.026 30 20 DBED N#CCNC(=O)CNCCCNC(=O)CCCCN1CCCC1 1177331420 JAEBCPGJZKJLRX-UHFFFAOYSA-N 323.441 -0.012 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CCCN2C(C)C)C1 1182472603 GBSPCWYQXQOACL-CABCVRRESA-N 320.437 -0.201 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)C3=CCOCC3)[C@@H]2C1 1187638964 GXYYUNRPRCOXRK-LSDHHAIUSA-N 317.389 -0.385 30 20 DBED COCC#CCN(C)[C@H]1CCN(C(=O)[C@H]2CCCNC2=O)C1 1190790271 XXVCDRKQJKPRIP-KBPBESRZSA-N 307.394 -0.305 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2ncccn2)C1 1192989810 YUGXUHZJRYNWIO-GFCCVEGCSA-N 303.366 -0.075 30 20 DBED C=CCN(C)[C@H]1CCN(C(=O)CNC(=O)Cn2cncn2)C1 1194239548 ZLOKAABQZMPRTQ-LBPRGKRZSA-N 306.370 -0.887 30 20 DBED C=CCCCN1C[C@@H](O)[C@H](NC(=O)c2cc(C(N)=O)cn2C)C1 1194437482 YJPWAMKYOCUHHV-TZMCWYRMSA-N 320.393 -0.135 30 20 DBED C#CCNC(=O)[C@H](C)N1CCCN(C(=O)c2cnnn2C)CC1 1195692347 YTPIUDXTKPCZGN-LBPRGKRZSA-N 318.381 -0.899 30 20 DBED CC(C)C#CC(=O)N1CCCN([C@@H]2CCC(=O)NC2=O)CC1 1195775299 UTYYRRFIAFXAAO-CYBMUJFWSA-N 305.378 -0.015 30 20 DBED CCO[C@H](C(=O)N1CCCN(CC(=O)NCC#N)CC1)C1CC1 1195873877 OJFDHDVVABXQHV-HNNXBMFYSA-N 322.409 -0.024 30 20 DBED C[C@@H]1C[C@H](C(=O)N2CCCN(CC(=O)NCC#N)CC2)CCO1 1197560402 QKTDYOMXQPBZRM-ZIAGYGMSSA-N 322.409 -0.024 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCN(C)C2)C1 1197792881 SAVHTXFWNHGLDF-RRFJBIMHSA-N 309.410 -0.861 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)[C@H](C)CS(C)(=O)=O)C1 1199145278 GKNBJLHFUPMIQP-IJLUTSLNSA-N 304.412 -0.596 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CN(CCc2cnn(C)c2)C[C@H]1O 1199317773 BXTVSXGASPULPT-NWANDNLSSA-N 322.409 -0.285 30 20 DBED C=CCNC[C@@H]1CN(C(=O)c2cn(CCOC)nn2)CCCO1 1200478668 LCRJCBPYBXMXQR-CYBMUJFWSA-N 323.397 -0.069 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)[C@@]2(F)CCOC2)CC1 1202171132 MDUGPLCVDJTPRL-OAHLLOKOSA-N 313.373 -0.002 30 20 DBED C#CCNC(=O)CN[C@@H]1C[C@H](NC(=O)CCOC)C12CCC2 1202271421 WUUUQKSQGQJZLQ-OLZOCXBDSA-N 307.394 -0.211 30 20 DBED C[C@]1(C(=O)N2CCC(NCC(=O)NCC#N)CC2)CCOC1 1203052593 POUOSDAOPDIKJH-HNNXBMFYSA-N 308.382 -0.367 30 20 DBED COCC#CCN[C@H]1C[C@H]2CC[C@H]1N(C(=O)CNC(=O)OC)C2 1204050483 QKJIEFVMMHKBJK-HZSPNIEDSA-N 323.393 -0.039 30 20 DBED C#CCOCCC(=O)N1CCC(CNCc2nc(O)n[nH]2)CC1 1205258926 LNGQJECFWJITEO-UHFFFAOYSA-N 321.381 -0.122 30 20 DBED C#CCNC(=O)[C@H](C)NCC1CCN(C(=O)c2nc[nH]n2)CC1 1206636129 VHGQPKQZWLYGFO-NSHDSACASA-N 318.381 -0.616 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(CC(=O)NCCC)C[C@H]1C 1206957518 BUHLRBUHNMFNRW-ZIAGYGMSSA-N 309.410 -0.011 30 20 DBED C=CCCN1C[C@@H](NC(=O)CN(C)S(C)(=O)=O)[C@H](C)C1 1207314197 ABEUAVPGTPRQIO-VXGBXAGGSA-N 303.428 -0.110 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCCN(C(=O)CN(C)C(C)=O)C1 1207440784 JNHCCYNCRANYSF-JSGCOSHPSA-N 322.409 -0.817 30 20 DBED N#Cc1c[nH]c(C(=O)N2CCC[C@@H](NCC(=O)NC(N)=O)C2)c1 1207749741 LLJHWMGWXTWRBG-SNVBAGLBSA-N 318.337 -0.725 30 20 DBED CCC[C@@H](NC(N)=O)C(=O)N1C[C@@H](NCC#CCOC)[C@H](C)C1 1216573775 UMFAAFARBHOEGW-MGPQQGTHSA-N 324.425 -0.090 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(CCNC(=O)C2CC2)C[C@@H]1O 1219539436 KZWQTVKFCIOOIW-KGLIPLIRSA-N 307.394 -0.523 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)[C@@H](C)NC(=O)CC)C1 1219678752 BFWVYMLFLWDGKY-MXWKQRLJSA-N 303.790 -0.185 30 20 DBED C=CCC(CC=C)C(=O)N[C@@H]1CN(CCOCCO)C[C@@H]1O 1219689990 SFOYJOKPYJWWJK-CABCVRRESA-N 312.410 -0.075 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCO[C@H]2C=C)C1 1220383021 VSOOJVFYEZENQK-KBXIAJHMSA-N 310.394 -0.059 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(Cc2ncnn2CC)C[C@@H]1O 1221139713 KIBRSLYPRZNVPC-OLZOCXBDSA-N 323.397 -0.448 30 20 DBED C#CCOCCC(=O)NCC1CCN(C[C@@H](O)COC)CC1 1223174808 NFOPWMHXKWQXSQ-OAHLLOKOSA-N 312.410 -0.138 30 20 DBED C=CCN1CCC(CNC(=O)CC[C@@H]2NC(=O)NC2=O)CC1 1225372624 UHLRFHBTJIPXRP-LBPRGKRZSA-N 308.382 -0.011 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)CNC(=O)CC)CC1 1226608727 RUDVHZOMBBNKOF-UHFFFAOYSA-N 310.398 -0.605 30 20 DBED C#CCCN1CCS(=O)(=O)[C@H](CCNC(=O)CCOC)C1 1230405407 ZWUIOSXNPIMKHM-CYBMUJFWSA-N 316.423 -0.349 30 20 DBED CC#CCN1CCS(=O)(=O)[C@H](CCNC(=O)CSC)C1 1230417059 YLVFWPKSXCWLIT-GFCCVEGCSA-N 318.464 -0.022 30 20 DBED CCCC(=O)NCC(=O)N(C)C[C@H]1CCN1CC(=O)NCC#N 1230975077 FHQPSIXLUGBQIS-GFCCVEGCSA-N 323.397 -0.925 30 20 DBED C#CCNC(=O)CC(=O)N(C)C[C@@H]1CCN1[C@H](C)C(=O)N(C)C 1233808494 BBJJOHJFVMDLHD-OLZOCXBDSA-N 322.409 -0.865 30 20 DBED CN(C[C@H]1CCN1CCNS(C)(=O)=O)C(=O)C#CC1CC1 1234196280 QYCIRMSGDAXFIE-CYBMUJFWSA-N 313.423 -0.518 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)CO[C@@H]1CCOC1 1234286356 MVDMPDGOVYBERA-UONOGXRCSA-N 323.393 -0.926 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N[C@@H]2CCC[C@@H]2CCO)nn1 1261448603 ZVARVPKEQHNGNN-DGCLKSJQSA-N 321.381 -0.252 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CC[C@H](COCC)C2)nn1 1261449209 URLCXVTYRZUGAF-LBPRGKRZSA-N 321.381 -0.035 30 20 DBED C=CCOC[C@H]1NC(=O)N([C@@H]2CCS(=O)(=O)[C@@H]2C)C1=O 1261836690 IWCPDZRAQLSALM-OPRDCNLKSA-N 302.352 -0.315 30 20 DBED Cc1cccc(=O)n1C[C@](C)(O)C(=O)OCC(=O)NCC#N 1321549695 CQBQJZDJFYIMIY-AWEZNQCLSA-N 307.306 -0.909 30 20 DBED C[C@H](CO[C@H]1CCOC1)NC(=O)C(=O)N1CC[C@@](F)(C#N)C1 1323633219 PRVGUTAZUOPMEV-UHIISALHSA-N 313.329 -0.239 30 20 DBED CN1C(=O)CC[C@H](NC(=O)C(=O)NCC2(CC#N)CC2)C1=O 1325940764 RZICGUAOHLWSSS-VIFPVBQESA-N 306.322 -0.940 30 20 DBED Cc1ccc(NC(=O)C(=O)NCCn2cnc(C#N)n2)c(C)n1 1326858404 WYKNVBKIJKKDRN-UHFFFAOYSA-N 313.321 -0.083 30 20 DBED C=CCOCCNC(=O)C(=O)N1CCN([C@H]2CCOC2)CC1 1327776774 NUOVUXSNUCMUEO-ZDUSSCGKSA-N 311.382 -0.762 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2C[C@H](C)OC[C@@H]2C)nn1 1332045479 TXDSYMZYNBTICD-QWRGUYRKSA-N 307.354 -0.284 30 20 DBED N#Cc1ccc(N2CCC(N3C(=O)N[C@H](CO)C3=O)CC2)nc1 1332403768 BTMCFHSWHXGRIT-GFCCVEGCSA-N 315.333 -0.165 30 20 DBED C=CC[C@H](NC(=O)C1CN(S(C)(=O)=O)C1)C(=O)OCC 1332559591 XWJMEWHHGWHHTP-JTQLQIEISA-N 304.368 -0.498 30 20 DBED C=CCOC[C@H]1NC(=O)N(CCOCCS(C)(=O)=O)C1=O 1332863406 VOIIEDIYMJIMOE-SNVBAGLBSA-N 320.367 -0.829 30 20 DBED CN1CCC[C@@H](NC(=O)CCN/C(O)=C2\N=CC=CC2=O)C1=O 1335315304 ZWCBTOAXXJGOHP-WBNXYMAISA-N 320.349 -0.360 30 20 DBED C#CCOCCNC(=O)C(=O)NC[C@@H](C)N1CCC(C)CC1 1341073115 JXYUJUWLSAXZTM-CQSZACIVSA-N 309.410 -0.011 30 20 DBED C=CCCC[C@H](N)C(=O)NCCN1CCS(=O)(=O)CC1 1341572133 XSUIJAAKVKOAQJ-LBPRGKRZSA-N 303.428 -0.483 30 20 DBED Cc1ccc(C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)n1C 1341786871 KBIQCSQYFRWTHQ-NSHDSACASA-N 323.374 -0.087 30 20 DBED C=CCNC(=O)Cn1nnnc1N1C[C@H](C)O[C@H](COC)C1 1355583054 VFOKLBPXSSSKOM-QWRGUYRKSA-N 310.358 -0.785 30 20 DBED N#Cc1ccnc(NC(=O)c2cn(C[C@H]3CNC(=O)O3)nn2)c1 1361515706 WJOMRJXURDMHRV-SECBINFHSA-N 313.277 -0.095 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H](CO)[C@@H]1CCOC1 1363962513 CTYYGPTYPHYWPC-IJLUTSLNSA-N 305.400 -0.300 30 20 DBED N#Cc1cncc(S(=O)(=O)NC2CN(c3ccncn3)C2)c1 1364907357 LIQOOLNKARXAQC-UHFFFAOYSA-N 316.346 -0.090 30 20 DBED CN(C)S(=O)(=O)N(C)CC(=O)NCC1(C#N)CCOCC1 1365151731 OIMXRKUFIDWKBS-UHFFFAOYSA-N 318.399 -0.839 30 20 DBED CCN(CCC#N)C(=O)CN[C@H]1C[C@H](NC(=O)CNC(C)=O)C1 1366105907 GPNPIYLQVCIATH-JOCQHMNTSA-N 323.397 -0.879 30 20 DBED N#Cc1ccc(F)c(CNC[C@@H](O)CNC(=O)c2cnn[nH]2)c1 1367607654 MRKHESXUXGNANZ-LLVKDONJSA-N 318.312 -0.304 30 20 DBED C[C@@H](C#N)C(=O)N1CCCN(C(=O)C2(NC(N)=O)CC2)CC1 1372110937 UHHNYGVLCMWRQQ-JTQLQIEISA-N 307.354 -0.592 30 20 DBED C[C@@H](C#N)C(=O)NC1CN(C(=O)[C@@H]2CCc3nccn3C2)C1 1387806655 SJZGNCBFHWQULR-WDEREUQCSA-N 301.350 -0.068 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@](O)(CNC(=O)C3CC3)C2)[nH]1 1390400802 NNVUXQIYEHCSPS-HNNXBMFYSA-N 302.334 -0.010 30 20 DBED C[C@H](C#N)C(=O)NC1CC2(CC(NC(=O)[C@H]3C[C@H]3C(N)=O)C2)C1 1396734403 XIQCWWVNKOBBTM-WSPRPFRGSA-N 318.377 -0.189 30 20 DBED CC(C)CNC(=O)NC(=O)CN(C)CCNC(=O)[C@@H](C)C#N 1403507312 MRLWPNZTMSKPKO-NSHDSACASA-N 311.386 -0.324 30 20 DBED Cc1c(CC(=O)N(C)C[C@@H](O)CNC(=O)[C@H](C)C#N)cnn1C 1405615261 PWQXLGLQQNUCRD-MFKMUULPSA-N 321.381 -0.634 30 20 DBED C=C(Cl)CN1CCO[C@@H](CNC(=O)[C@H](C)NC(N)=O)C1 1405731898 ICIHDWXIPXFPHI-UWVGGRQHSA-N 304.778 -0.387 30 20 DBED COc1nc(C)ccc1C(=O)NC[C@@H](O)CNC(=O)[C@H](C)C#N 1410118509 CABUNIWYUAXLBP-KOLCDFICSA-N 320.349 -0.235 30 20 DBED C[C@@H]1CN(C(=O)Cn2cc(C#N)c(O)nc2=O)[C@H](C)CN1C 1412715909 ZTBJQZVBRDZFPL-NXEZZACHSA-N 305.338 -0.628 30 20 DBED CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1cc(C#N)ccn1 1412975277 XAFCXGDPKCBYPK-GFCCVEGCSA-N 322.390 -0.312 30 20 DBED C[C@@H](C#N)C(=O)NC1CN(C(=O)[C@@H]2CCCCS2(=O)=O)C1 1416045741 HGADNHUAVRGOMI-ONGXEEELSA-N 313.379 -0.560 30 20 DBED C=C(Cl)CNC[C@@H]1CN(C(=O)CCS(C)(=O)=O)CCO1 1421793661 WIGOQBGXUVNMMM-LLVKDONJSA-N 324.830 -0.009 30 20 DBED C[C@H](C#N)C(=O)N(C)CCN1CCN(C(=O)[C@H]2CCCO2)CC1 1430062488 SEFAEOUUYWMETK-ZIAGYGMSSA-N 322.409 -0.072 30 20 DBED COC(=O)NCC(=O)N1CCC(C)(NC(=O)[C@@H](C)C#N)CC1 1459321165 KEPLGJSHTBXSMB-JTQLQIEISA-N 310.354 -0.001 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CN(C)C(=O)C12CCCN1CCC2 1511579971 QQBNFCVPBJOJHC-STQMWFEESA-N 322.409 -0.290 30 20 DBED CNC(=O)NCCC(=O)N(C)C1CC(NC(=O)[C@H](C)C#N)C1 1511938006 KTIIKJOPGFPGRJ-KPPDAEKUSA-N 309.370 -0.429 30 20 DBED C=CCn1c(C(N)=O)nnc1N1CCN([C@H]2CCOC2)CC1 1520295422 AEYLTSFEARYCHY-NSHDSACASA-N 306.370 -0.526 30 20 DBED Cc1cc(C#N)c(O)nc1C(=O)N1CCN(C(=O)C(=O)O)CC1 1574307685 HZRIFJYEOBDFSE-UHFFFAOYSA-N 318.289 -0.664 30 20 DBED C#CCN(CC#C)c1nnc([C@H]2C[C@@H](N)C2)n1Cc1ncn(C)n1 1574632541 SUIDJCXJMFTWTL-BETUJISGSA-N 324.392 -0.268 30 20 DBED C#CCN(CC(=O)OC(C)(C)C)C(=O)NC[C@@H]1COCCN1 1574636944 ABGHPENTXUSNHM-GFCCVEGCSA-N 311.382 -0.039 30 20 DBED C=CCN1CCC(NC(=O)N[C@@H]2CC(=O)N(C3CNC3)C2)CC1 1574936015 GCUKDDCVHCDTCP-CYBMUJFWSA-N 321.425 -0.491 30 20 DBED C=CC[C@@H](CO)CNS(=O)(=O)c1ccc(-c2nn[nH]n2)cn1 1588546071 WMWYHEITARUJMC-SECBINFHSA-N 324.366 -0.275 30 20 DBED C=CCCC(=O)N[C@@H]1CN(c2ncc(C(=O)O)cn2)C[C@H]1O 1588776997 QIKLSKKTPNRLHC-GHMZBOCLSA-N 306.322 -0.193 30 20 DBED CC(C)(C(=O)O)n1cc(NC(=O)N[C@@H]2CNC[C@H]2C#N)cn1 1589666466 UUKIQCMBBSTHEV-PSASIEDQSA-N 306.326 -0.064 30 20 DBED N#CCCNC(=O)COC(=O)Cc1ccc(-c2nn[nH]n2)nc1 1592678198 PFUZBVUBSGDFLD-UHFFFAOYSA-N 315.293 -0.623 30 20 DBED O=C(O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)O[C@H]1CNOC1 1602407976 VKKTWNNQPYXWOL-ZETCQYMHSA-N 318.263 -0.098 30 20 DBED C=CC[C@H](CO)NC(=O)NCc1ccc(-c2nn[nH]n2)cn1 1602816768 VCLYGQGFHHWCEE-LLVKDONJSA-N 303.326 -0.002 30 20 DBED C=CCn1cc(CNC(=O)N2C[C@@H](C(=O)O)O[C@H](C)C2)nn1 1602937569 AKYKXSXJXXNFNX-KOLCDFICSA-N 309.326 -0.152 30 20 DBED CO[C@@H](C(=O)O)C(=O)N=c1nc(C)[nH]n1-c1ccc(C#N)cc1 1604440834 IWGMNNDHTWIUKM-LLVKDONJSA-N 315.289 -0.093 30 20 DBED C#C[C@@H]1COCCN1Cc1cnc2c(-c3nn[nH]n3)cnn2c1 1609019697 CDNUAMPXSIRULR-LLVKDONJSA-N 310.321 -0.257 30 20 DBED COCCN(CC#N)C(=O)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 1609324348 VJZKKQHSZVNESE-LBPRGKRZSA-N 316.321 -0.101 30 20 DBED C=CCOC[C@@H](NC(=O)c1cccn2c(O)nnc12)C(=O)O 1609443017 OVEUWXKPRYKQRA-SECBINFHSA-N 306.278 -0.180 30 20 DBED C=CCNC(=O)CN1CCC[C@@H](NC(=O)CCn2cncn2)C1 1713786443 WDBGGROLNWLBEN-CYBMUJFWSA-N 320.397 -0.449 30 20 DBED C=C(C)CN(CC)C(=O)[C@@H](C)N[C@H]1C[C@@H](NC(=O)C(N)=O)C1 1752757949 LVQSBBKDOCQCBA-UTUOFQBUSA-N 310.398 -0.478 30 20 DBED C[C@@H](NC(=O)CCNS(C)(=O)=O)[C@H]1CCCN(CC#N)C1 1752835418 FQECDZBFTBPCFH-NEPJUHHUSA-N 316.427 -0.334 30 20 DBED C#CCCN1CCC[C@@H]1CCCNC(=O)Cn1ncn(C)c1=O 1753029969 MWQSSUPQIKCRMG-AWEZNQCLSA-N 319.409 -0.034 30 20 DBED C#CCNC(=O)CNCCN(C)C(=O)Cc1cccnc1C 1753232346 RIMOSEVSVKOFJT-UHFFFAOYSA-N 302.378 -0.270 30 20 DBED C#CCNC(=O)CNC[C@@H](C)CNC(=O)Cc1ccn(C)n1 1753612256 BRWNGHNHHRLEQQ-GFCCVEGCSA-N 305.382 -0.946 30 20 DBED CC(C)Cn1ncnc1CNC[C@@H](O)CNC(=O)C#CC1CC1 1753911080 KFMFZJXIUHLODJ-CQSZACIVSA-N 319.409 -0.086 30 20 DBED C[C@H](CNCC(=O)NCC#N)NC(=O)c1cnn(CCF)c1 1754232479 WRWIGZHIPSBOEJ-SNVBAGLBSA-N 310.333 -0.800 30 20 DBED CCn1nc(C)cc1C(=O)N[C@@H](C)CNCC(=O)NCC#N 1754285382 VDQIUIBJUQAFGO-NSHDSACASA-N 306.370 -0.441 30 20 DBED C=CCNC(=O)[C@H](C)N1CC[C@H]1CNC(=O)CCn1cncn1 1754473720 OXTBOJQKVQDOKL-STQMWFEESA-N 320.397 -0.451 30 20 DBED C#CCNC[C@@H](NC(=O)c1cn(C)c(=O)nc1O)C1CCCC1 1754656495 OYDLLARIFYCABQ-CYBMUJFWSA-N 318.377 -0.003 30 20 DBED Cc1cn2c(n1)C[C@@H](C(=O)NC[C@]1(O)CCN(CC#N)C1)CC2 1754752276 FHHOXLUCTQZHTK-XJKSGUPXSA-N 317.393 -0.170 30 20 DBED C=CCCOCC(=O)NCC1(O)CN([C@@H](C)c2n[nH]c(C)n2)C1 1754781424 VWPYANUDSLUMBI-NSHDSACASA-N 323.397 -0.070 30 20 DBED C=CCCOCC(=O)NCC1(O)CN(Cc2cnnn2C)C1 1754781714 ZARGYMWVHIHMJW-UHFFFAOYSA-N 309.370 -0.929 30 20 DBED C#CCCN[C@@H](C)[C@@H]1CCN(C(=O)CN2C(=O)CCC2=O)C1 1754808252 ZOXWUPSUNMHKCV-QWHCGFSZSA-N 305.378 -0.015 30 20 DBED C#CCNC(=O)[C@H](C)NCCN(CCO)C(=O)C#CC(C)C 1754881381 BFTVOYSSUKWPGV-AWEZNQCLSA-N 307.394 -0.806 30 20 DBED C#CCCCCC(=O)NC[C@@H]1COCCN1Cc1nnnn1C 1754964925 GYFSTMHOQZRWNB-CYBMUJFWSA-N 320.397 -0.279 30 20 DBED C=CCN1CC[C@@H](N[C@@H](CO)CNC(=O)c2ocnc2C)C1=O 1755626608 JJSVZJZQHDXMFZ-VXGBXAGGSA-N 322.365 -0.550 30 20 DBED CNS(=O)(=O)CCC(=O)N[C@]12CCC[C@@H]1N(CC#N)CC2 1755703133 VAZSDESMTOZNHV-AAEUAGOBSA-N 314.411 -0.438 30 20 DBED CN1CCC[C@H]1C(=O)NCC1=CCN(CC(=O)NCC#N)CC1 1755882372 FBKKHIYOPIHQII-AWEZNQCLSA-N 319.409 -0.531 30 20 DBED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1CC1)CCO2 1840635281 NFCPMVKULZKMGM-OAHLLOKOSA-N 307.350 -0.234 30 20 DBED Cc1cnoc1C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846196171 UMBAQHUOOORDCJ-UHFFFAOYSA-N 317.301 -0.112 30 20 DBED C#CCNS(=O)(=O)c1cccc(C(=O)NCC(=O)N(C)C)c1 32212722 VZUBPUWPGBQPPJ-UHFFFAOYSA-N 323.374 -0.584 30 20 DBED N#Cc1ccccc1OCCN1CCN2C(=O)C(=O)NC[C@@H]2C1 152631752 UZCKRLSTRDTIOB-CYBMUJFWSA-N 314.345 -0.420 30 20 DBED CC(C)C/N=C(/NCC(=O)N(C)C)N1CCN2C(=O)CC[C@H]2C1 262289652 KXFIFMSZYUZKIO-ZDUSSCGKSA-N 323.441 -0.017 30 20 DBED COCCNS(=O)(=O)c1c[nH]c(C(=O)N[C@@H](C)CC#N)c1 266837334 LTNGTRSWSUDEOZ-VIFPVBQESA-N 314.367 -0.029 30 20 DBED C=CCN/C(N)=N/CCS(=O)(=O)NC[C@H]1CCCCO1 267412813 INUGRBGAEMDSAI-LLVKDONJSA-N 304.416 -0.435 30 20 DBED N#Cc1ccccc1S(=O)(=O)NC[C@H]1CC[C@@H](C(N)=O)O1 269843528 QFERGCQLFRLENF-MNOVXSKESA-N 309.347 -0.131 30 20 DBED C=C(C)CN1CCC(NC(=O)C(=O)N2CCNC(=O)C2)CC1 286864168 ZUNWTVKXBNIKSP-UHFFFAOYSA-N 308.382 -0.899 30 20 DBED C[C@H]1CN(C(=O)Cn2c(=O)c(C#N)cn(C)c2=O)C[C@@H](C)O1 294914774 IPTPWZUQFSZGPC-AOOOYVTPSA-N 306.322 -0.946 30 20 DBED N#CCCN(CCC#N)C(=O)CSc1nc(N)nc(N)n1 314479594 OUKOCWUFSIFRAU-UHFFFAOYSA-N 306.355 -0.216 30 20 DBED CCN1CCN(C[C@H](C)C/N=C(/O)N2CC(=O)N(C)C2)CC1 329634540 TZPPZCQMXUBUDJ-CYBMUJFWSA-N 311.430 -0.095 30 20 DBED CN(/C(O)=N/C[C@H]1CCCN1C)[C@H]1CCN(S(C)(=O)=O)C1 330122906 AMAWOSVPCBTZMX-NEPJUHHUSA-N 318.443 -0.040 30 20 DBED CCO[C@@H]1C[C@](CO)(NC(=O)Cn2cnc(C#N)n2)C1(C)C 332035891 PCIULFSKZYFLGB-QMTHXVAHSA-N 307.354 -0.168 30 20 DBED CCO[C@@H]1C[C@H](NS(=O)(=O)N2CCO[C@@H](C#N)C2)[C@H]1OC 336932405 CJPBCABNFHSGHV-NNYUYHANSA-N 319.383 -0.762 30 20 DBED C[C@]1(O)CCCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 337150787 JEZNDMSUTSAABH-RYUDHWBXSA-N 303.384 -0.308 30 20 DBED CC#CCN(C)C(=O)CCNS(=O)(=O)c1cn(C)c(C)n1 341048899 PIENUKATOKTLQG-UHFFFAOYSA-N 312.395 -0.121 30 20 DBED N#CCNC(=O)CNC(=O)CNC(=O)c1ccc(F)c(F)c1 343542156 MPEUCCUNMAADCG-UHFFFAOYSA-N 310.260 -0.549 30 20 DBED COC(=O)[C@H](c1cccc(C#N)c1)N1CCN(C(=O)CO)CC1 348306095 XVFONHDHWIQFEV-HNNXBMFYSA-N 317.345 -0.091 30 20 DBED COc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CCN(C)C1=O 350742052 SXPFFNYGDPPMFP-SNVBAGLBSA-N 316.317 -0.148 30 20 DBED CCOCCS(=O)(=O)NCC(=O)N(C)CC(C)(C)C#N 353276754 VPBPOBGNADWGFC-UHFFFAOYSA-N 305.400 -0.050 30 20 DBED Cc1ccc(C[C@@H](CO)NC(=O)NCC(=O)NCC#N)cc1 358268757 CEHKQVXPXXUQDT-ZDUSSCGKSA-N 304.350 -0.163 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H](CO)[C@@H]2C)C1=O 414089472 ZDQBKXKEBXVDGC-WDEREUQCSA-N 323.349 -0.417 30 20 DBED CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)NC[C@H](O)CO 434990970 LYFFPEQDRMXSBO-JTQLQIEISA-N 308.338 -0.477 30 20 DBED C#CCN1CCN(C(=O)CN2CC[C@H](C(=O)OC)[C@H]2C)CC1 490738677 CCLKKLGUYUBTPB-KGLIPLIRSA-N 307.394 -0.353 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)CN2CCC(C)(C)C2)CC1 491682326 RMCZVBLMLWNBPL-UHFFFAOYSA-N 320.437 -0.388 30 20 DBED N#Cc1cccc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1 514614972 NDILSCAGONWYMW-AAEUAGOBSA-N 320.374 -0.509 30 20 DBED CC[C@@](C)(C#N)NC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 520507561 GVZGZTUAEXSUME-CJNGLKHVSA-N 322.409 -0.024 30 20 DBED CNS(=O)(=O)[C@@H]1CCN(CC(=O)NC2(C#N)CCC2)C1 527128658 OAPWLPUSSNGRPJ-SNVBAGLBSA-N 300.384 -0.828 30 20 DBED CN(C)C(=O)[C@H]1CC[C@@H](C(=O)NC[C@H]2CCCN(CC#N)C2)O1 580910996 TUMYQFIAFLZDHV-HZSPNIEDSA-N 322.409 -0.026 30 20 DBED CN(C[C@@H](O)CNc1ccc(C#N)nn1)c1ccc(C#N)nn1 590062053 GYEWDSFUADMKRX-LBPRGKRZSA-N 310.321 -0.081 30 20 DBED CCN(CC)S(=O)(=O)CC(=O)N1CC[C@](O)(CC#N)C1 592843947 IDQMGZXHJZSIDF-GFCCVEGCSA-N 303.384 -0.465 30 20 DBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC/C=C\CO 597994871 WZIZXJSTIVEORN-OTDNITJGSA-N 323.374 -0.110 30 20 DBED N#Cc1ccc(CNC(=O)C(=O)NC[C@H]2COCCN2)c(F)c1 599950118 YBWFYKUZTMHBSU-LBPRGKRZSA-N 320.324 -0.582 30 20 DBED CN1CCN(C[C@@H](O)COc2ccccc2C#N)[C@@H](CO)C1 602905437 NZGLIEYTVAGHJJ-HUUCEWRRSA-N 305.378 -0.094 30 20 DBED N#Cc1ccn(CC(=O)NCCCN2CCCC2=O)c(=O)c1 603348253 OFUHPJMRSRRYDS-UHFFFAOYSA-N 302.334 -0.151 30 20 DBED CC(C)C[C@H](C#N)NC(=O)CNS(=O)(=O)c1cnn(C)c1 608826094 ZTWZDJLKOKPABQ-SNVBAGLBSA-N 313.383 -0.247 30 20 DBED Cn1c(N[C@H](CO)CC(F)(F)F)c(C#N)c(=O)n(C)c1=O 611133134 SCQPRKKSMAHMPR-LURJTMIESA-N 306.244 -0.319 30 20 DBED CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)N1CCO[C@H](C#N)C1 619582292 BOTQPIHJVBKUEU-MNOVXSKESA-N 310.354 -0.856 30 20 DBED N#CCNC(=O)COC(=O)Cc1ccc(-c2nn[nH]n2)cc1 737696669 UMBURHGMZZLLLW-UHFFFAOYSA-N 300.278 -0.408 30 20 DBED N#Cc1cccc(CNC(=O)CN2CCO[C@@H](C(=O)O)C2)c1 738435069 TXHOPRRYVLNYBY-CYBMUJFWSA-N 303.318 -0.040 30 20 DBED C#C[C@H](NCc1nc2c(=O)n(C)c(=O)n(C)c2[nH]1)[C@@H]1CCCO1 775796390 XTNMIOVGYWSFIS-UWVGGRQHSA-N 317.349 -0.769 30 20 DBED C=C(C)CN(C)C(=O)NCCS(=O)(=O)N1CCOCC1 778640545 ADJBHTJUWVMFDS-UHFFFAOYSA-N 305.400 -0.134 30 20 DBED CC(=O)N1CCN(C(=O)COC(=O)c2ccc(C#N)[nH]2)CC1 786090523 BBAHQUJCVLFNIL-UHFFFAOYSA-N 304.306 -0.266 30 20 DBED CC(C)S(=O)(=O)CCNS(=O)(=O)N(C)[C@H](C)CC#N 808348491 RTEHKJHJHDCAGR-SNVBAGLBSA-N 311.429 -0.122 30 20 DBED C=CCN(C(=O)C(=O)N1CCN(CC(=O)NCC)CC1)C(C)C 839248737 UAEOHXJUNGUYLV-UHFFFAOYSA-N 324.425 -0.310 30 20 DBED C#C[C@H](NC(=O)C(=O)NC[C@]1(C)CCCNC1)[C@@H]1CCCO1 842161384 BRGWNYWSGCECTK-HEHGZKQESA-N 307.394 -0.211 30 20 DBED C=C[C@H](C)ONC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 846543461 PCTCNHHJJGBYRJ-VIFPVBQESA-N 321.337 -0.554 30 20 DBED C#CCNC(=O)CN1CCN(CC[C@H]2COC(C)(C)O2)CC1 851751374 QXRHWSXCLROZKX-AWEZNQCLSA-N 309.410 -0.105 30 20 DBED C#CCN1CCC[C@H](NS(=O)(=O)C[C@H](C)C(=O)OC)C1 885511960 PVRUFCOMYPSLDS-RYUDHWBXSA-N 302.396 -0.188 30 20 DBED C#CCN1CCC[C@@H](NC(=O)N2CCN(C[C@H](C)O)CC2)C1 890364683 GEZBSRHIYPTAEN-LSDHHAIUSA-N 308.426 -0.208 30 20 DBED C#CC1(O)CN(C(=O)[C@H](C)NC(=O)c2n[nH]c3ccccc23)C1 890521328 AOEQEQFGTAHYFW-JTQLQIEISA-N 312.329 -0.112 30 20 DBED C=CCC[C@@H]1NC(=O)N(CC2CN(S(C)(=O)=O)C2)C1=O 927646763 KMYBFPFXWMKNCG-JTQLQIEISA-N 301.368 -0.236 30 20 DBED O=C1CCC[C@H](C(=O)N[C@H]2CCN(C(=O)C#CC3CC3)C2)N1 938122973 MDYIEZLFMJHFAM-QWHCGFSZSA-N 303.362 -0.214 30 20 DBED C=CCn1cccc1C(=O)N(C)[C@H]1CCN(C(=O)C(N)=O)C1 939389589 JKRRWOTXIWBDJY-NSHDSACASA-N 304.350 -0.168 30 20 DBED C[C@H]1CN(CC#N)CC[C@H]1NC(=O)c1cn(C)c(=O)n(C)c1=O 943233608 QCFMDKATJTXBFR-CMPLNLGQSA-N 319.365 -0.952 30 20 DBED O=C(NC[C@H]1CN(C(=O)C#CC2CC2)CCO1)[C@@H]1COCCO1 944490466 YEPRJTWVAUDUSR-KBPBESRZSA-N 322.361 -0.841 30 20 DBED C#CCN1CCC(C(=O)N[C@H]2[C@H]3C[C@H]2N(C(=O)COC)C3)CC1 947312750 QKJSHKDSRAXLSW-LZWOXQAQSA-N 319.405 -0.307 30 20 DBED C=CCN1CC[C@H](N2CC(N(CC)C(=O)c3cnn[nH]3)C2)C1=O 950714978 CUAJIROQUOXNAG-ZDUSSCGKSA-N 318.381 -0.262 30 20 DBED C#Cc1ccc(C(=O)N2CC(N(C)C(=O)c3nc[nH]n3)C2)nc1 955019632 SJQDCQHQFADULZ-UHFFFAOYSA-N 310.317 -0.222 30 20 DBED CN(C(=O)Cn1cncn1)C1CN(C(=O)c2c[nH]c(C#N)c2)C1 955378674 WMZQZTHIVUKIMA-UHFFFAOYSA-N 313.321 -0.539 30 20 DBED CN(C)c1ccc(C(=O)NC[C@@H]2CN(CC#N)C[C@H]2O)nc1 958731751 JDBDSWMSVUSGCI-BXUZGUMPSA-N 303.366 -0.306 30 20 DBED N#CCOc1ccc(CN2C[C@H]3C(NC(=O)C(N)=O)[C@@H]3C2)cc1 961637385 KDUUGCHXAFRVNK-CHWSQXEVSA-N 314.345 -0.379 30 20 DBED N#Cc1cc(C(=O)N2CC[C@H]3[C@H]2CCCN3C(=O)C(N)=O)c[nH]1 963513068 OWLHAENVWIUBEM-NEPJUHHUSA-N 315.333 -0.423 30 20 DBED CC1(C)CN(C(=O)c2ccc(C#N)[nH]2)CC[C@H]1NC(=O)C(N)=O 967117810 PLZHLPCDRULXJY-LLVKDONJSA-N 317.349 -0.271 30 20 DBED C[C@H]1CCN(CC#N)C[C@H]1NC(=O)Cn1ccc(O)nc1=O 967273263 KMWRWQOSIYEHIW-WDEREUQCSA-N 305.338 -0.701 30 20 DBED C#CCCN1CCO[C@]2(CCN(C(=O)C[C@H]3CCNC3=O)C2)C1 972408318 JUJLHFZEXSVDPK-RHSMWYFYSA-N 319.405 -0.161 30 20 DBED C=CCN1C[C@@H]2C(CNC(=O)c3cc(=O)n4[nH]cnc4n3)[C@H]2C1 978959759 FXUAZDVOFTVUOO-GHMZBOCLSA-N 314.349 -0.489 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H]2C[C@H](CNC(=O)c3cnn[nH]3)C2)c1 980028393 YZVQJJRUGIFXNG-CZMCAQCFSA-N 313.321 -0.057 30 20 DBED O=C(Cc1ccon1)N[C@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1O 991343178 NYQASEUYCCJHQX-KBPBESRZSA-N 317.345 -0.292 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)Cn3cncn3)C2)cn1 997101417 ICCZFWBKGOOMCR-UHFFFAOYSA-N 310.317 -0.705 30 20 DBED C#Cc1ccc(C(=O)N2CC(NC(=O)c3cn(CC)nn3)C2)nc1 998787291 IUFFTILKEIMZHM-UHFFFAOYSA-N 324.344 -0.071 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)Cc2nc[nH]n2)C1 1000197346 BVFBFPUTONHYPM-MNOVXSKESA-N 305.338 -0.735 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@H]1CN2C(=O)Cn1cnnc1O 1007271120 BZGPWGQIRUXUKP-AXFHLTTASA-N 318.337 -0.655 30 20 DBED C#Cc1ccc(C(=O)N2C[C@H]3CC[C@H]2CN3C(=O)C(N)=O)nc1 1007436060 ARMSXHOUAWVXCM-NWDGAFQWSA-N 312.329 -0.636 30 20 DBED C=CCN1CC[C@@H](N2CCC[C@@H](NC(=O)c3cnn[nH]3)C2)C1=O 1007757580 ASYKSHKVACRQNT-DGCLKSJQSA-N 318.381 -0.214 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H]2CCN([C@H]3CCC(=O)NC3=O)C2)c1 1010476603 HOVLOLKRPKAXAF-JQWIXIFHSA-N 315.333 -0.504 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCC1=CCN(C(=O)CC(N)=O)CC1 1017747162 TYCQXWSXBUIELN-OLZOCXBDSA-N 321.377 -0.272 30 20 DBED C[C@H]1[C@@H](NC(=O)[C@@H]2CNC(=O)N2)CCN1C(=O)C#CC1CC1 1020249821 RCCMQHDIEPJCEE-DLOVCJGASA-N 304.350 -0.813 30 20 DBED C=CCn1cc(C(=O)N[C@H]2C[C@H](N[C@H]3CCNC3=O)C2)nn1 1020699980 CIFMJUCJLWISFN-DCAQKATOSA-N 304.354 -0.797 30 20 DBED Cc1cc(CC(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2O)no1 1023221268 UXAVATPOABJGLI-GGZOMVNGSA-N 306.322 -0.627 30 20 DBED Cc1cc(CC(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2O)no1 1023221269 UXAVATPOABJGLI-XXILOJSOSA-N 306.322 -0.627 30 20 DBED O=C(Cc1cc[nH]n1)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1023258851 WFOHWIUDAAAAJQ-CHWSQXEVSA-N 302.334 -0.947 30 20 DBED C=CCN[C@@H]1CC[C@H]2CN(C(=O)Cn3nc(C)n(C)c3=O)C[C@@H]21 1026409775 NYDXPQQIQHJYBG-MELADBBJSA-N 319.409 -0.097 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN([C@@H]2CCCN(C)C2=O)C1 1030977083 BRFSSFMMWZPOSD-MCIONIFRSA-N 307.394 -0.001 30 20 DBED C#CCN1CC(CNC(=O)c2ccc(=O)n(CCOC)n2)C1 1031830193 RUGHWEJJIZLJKQ-UHFFFAOYSA-N 304.350 -0.816 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCN([C@H]2CCCNC2=O)C1 1032837222 NZENTTRASSKSBJ-ILXRZTDVSA-N 318.421 -0.447 30 20 DBED COCCn1ncc(C(=O)NC[C@H]2CN(CC#N)CCO2)c1C 1035369524 DVLMZQAXKYVFBL-ZDUSSCGKSA-N 321.381 -0.208 30 20 DBED C#CCCCC(=O)NC[C@]1(O)CCN(C(=O)C(C)(C)C(N)=O)C1 1039576876 YXOLTQOBDOVYQM-MRXNPFEDSA-N 323.393 -0.619 30 20 DBED CC(C)C#CC(=O)N1CC[C@](O)(CNC(=O)Cn2nccn2)C1 1039825331 MJHLHJBXHJSRQM-HNNXBMFYSA-N 319.365 -0.983 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@H]2CCCO2)C1 1041356155 ONKNGZVHUMGRNS-FRRDWIJNSA-N 324.377 -0.554 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)c2ccoc2C)C1 1041393863 YKMRNOQHVAZQHH-UHFFFAOYSA-N 320.345 -0.069 30 20 DBED C#CCN1CC[C@]2(CCN(C(=O)c3nnc(O)nc3O)C2)C1 1041446242 RPDARBFMQCZSLY-AWEZNQCLSA-N 303.322 -0.546 30 20 DBED CCOCCC(=O)N1CC(O)(CNC(=O)CSCC#N)C1 1041569408 XECFJYNVMGRYBL-UHFFFAOYSA-N 315.395 -0.641 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)c2ccnn2CC)C1 1042750916 WXTQFXQHNDUKEV-UHFFFAOYSA-N 322.365 -0.591 30 20 DBED O=C(C#CC1CC1)NCC1(O)CN(C(=O)[C@@]2(F)CCOC2)C1 1042965280 ZQNHIWBFNMNPDW-OAHLLOKOSA-N 310.325 -0.782 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)CCOCCOC)C1 1043694772 ROQYPYXPNROUFP-UHFFFAOYSA-N 314.382 -0.305 30 20 DBED N#Cc1cncc(N2C[C@H](O)[C@H](NC(=O)c3ccon3)C2)n1 1043866858 JZEPZWRTEKPYQO-MNOVXSKESA-N 300.278 -0.684 30 20 DBED C#CCN[C@H]1CCN(C(=O)CCc2nnc(O)nc2O)[C@@H](C)C1 1044657067 KRDGWKZUVKSQIM-QWRGUYRKSA-N 319.365 -0.182 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)c2csc(O)n2)C1 1045049662 BBXOIEXRNZUGGN-UHFFFAOYSA-N 323.374 -0.045 30 20 DBED C=CC1(CC(=O)N2CC(O)(CNC(=O)C(N)=O)C2)CCCCC1 1045521628 JHGZEVIIKCKXFL-UHFFFAOYSA-N 323.393 -0.312 30 20 DBED CCc1n[nH]cc1C(=O)N1CC(O)(CNC(=O)[C@H](C)C#N)C1 1045564638 KFKXEVJALLZLRB-SECBINFHSA-N 305.338 -0.565 30 20 DBED CC#CCN1[C@H]2CC[C@H]1CN(C(=O)Cn1c(O)nnc1O)CC2 1045882914 BHVNFXKMCZYCCF-RYUDHWBXSA-N 319.365 -0.222 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1C[C@@H](CNC(=O)[C@H]2CNC(=O)N2)C1 1046562639 VAKZVQYIXWYFBT-SUZMYJTESA-N 314.349 -0.637 30 20 DBED C=C[C@@H](C)[C@H](C)C(=O)N1CC(O)(CNC(=O)Cn2cncn2)C1 1046874608 APMDCGBKFIACBL-NEPJUHHUSA-N 321.381 -0.574 30 20 DBED C=CCN1CC[C@H](N2C[C@H](O)[C@@H](N(C)C(=O)C3CC3)C2)C1=O 1047279611 RJAIRPMSVZWESC-IHRRRGAJSA-N 307.394 -0.313 30 20 DBED C=CCCC(=O)N(C)[C@H]1CN(C(=O)[C@@H](COC)OC)C[C@@H]1O 1048528167 WCSZOYOAKFBESU-RWMBFGLXSA-N 314.382 -0.356 30 20 DBED C#CCN1C[C@H]2CN(C(=O)[C@@H]3CCc4nnc(O)n4C3)C[C@H]2C1 1048898430 AVKJLBAQDPQFHN-UPJWGTAASA-N 315.377 -0.431 30 20 DBED Cc1cnn(C)c1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)C#N)C1 1049408219 PWDAOULJVIYDPI-USWWRNFRSA-N 319.365 -0.468 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)c1cnc(N(C)C)cn1 1050918201 RTKHDPZFXHEPAZ-LBPRGKRZSA-N 303.366 -0.394 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)c1cc(=O)c(OC)c[nH]1 1051028332 MFFLBBFWTNJGBR-LLVKDONJSA-N 305.334 -0.553 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)c1cc(C(N)=O)cs1 1051259092 UHXRBHPPJCLTCE-NSHDSACASA-N 307.375 -0.089 30 20 DBED C=C(C)CN1CC2(C1)CN(C(=O)[C@H]1CC(=O)N(C)C1)CCO2 1053279038 DEWZATDUEFTMAQ-ZDUSSCGKSA-N 307.394 -0.046 30 20 DBED C#CCN1CC2(C1)CN(C(=O)[C@@H]1CCn3ccnc3C1)CCO2 1053315010 ZHPZUOGUEOTYKT-CQSZACIVSA-N 314.389 -0.008 30 20 DBED CN1C[C@@H](C(=O)NC[C@H]2CCC3(CN(CC#N)C3)O2)CC1=O 1053606873 PBPQZVQCTZAXKC-NWDGAFQWSA-N 306.366 -0.662 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)c3cncc(C(N)=O)c3)CO2)C1 1054010592 USGWUCFLOBCGHT-LBPRGKRZSA-N 315.333 -0.723 30 20 DBED Cn1oc(C(=O)N2CCN(c3cnc(C#N)cn3)CC2)cc1=O 1055783720 XUXIORHOLQUGTF-UHFFFAOYSA-N 314.305 -0.398 30 20 DBED N#Cc1cccnc1N1C[C@@H]2C(NC(=O)[C@@H]3CCC(=O)N3)[C@H]2C1 1056261606 FSRHUTHFUQBCLS-SRVKXCTJSA-N 311.345 -0.217 30 20 DBED C=CCn1cc(C(=O)NCCN(CCO)C(=O)C=C(C)C)nn1 1056875760 NSGUJOQVUPLSBZ-UHFFFAOYSA-N 321.381 -0.019 30 20 DBED CO[C@@H](C)C(=O)NCCN(CCO)C(=O)CSCC#N 1057027005 VAVYMOGGYXTXDX-JTQLQIEISA-N 303.384 -0.785 30 20 DBED N#Cc1cnccc1N1CCCN(C(=O)Cn2cnnn2)CC1 1057092920 FOZWESCASPMHBF-UHFFFAOYSA-N 312.337 -0.321 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)c1cnn(C)c1 1057193824 PTHGEWURURRBAX-UHFFFAOYSA-N 310.354 -0.827 30 20 DBED CS(=O)(=O)CC(=O)N1CCC(Nc2cnc(C#N)cn2)CC1 1057292213 ILIIVFLZBOJQBN-UHFFFAOYSA-N 323.378 -0.204 30 20 DBED C#CCNC(=O)CC(=O)N(CCO)CCNC(=O)CCC1CC1 1057390931 VNOLRWNRPTZVKS-UHFFFAOYSA-N 323.393 -0.747 30 20 DBED C=CCCOCC(=O)NCCN(CCO)C(=O)c1cncnc1 1057407692 DBIUICADUOIYDC-UHFFFAOYSA-N 322.365 -0.380 30 20 DBED CC(=O)N1CCC[C@@H]1C(=O)N(CCO)CCNC(=O)[C@H](C)C#N 1057910847 XBQSLXXXMVLPPH-DGCLKSJQSA-N 324.381 -0.906 30 20 DBED C=CCO[C@H](C)C(=O)N(CCO)CCNC(=O)COCCC 1057921574 KTGCUPGFWMEAPS-CYBMUJFWSA-N 316.398 -0.059 30 20 DBED C=CCC(C)(C)C(=O)NCCN(CCO)C(=O)c1nc[nH]n1 1058384623 MMSOLPWOOYAEML-UHFFFAOYSA-N 309.370 -0.042 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)Cc1ncc[nH]1 1058550251 PZYBOZWKWPAGNH-UHFFFAOYSA-N 310.354 -0.908 30 20 DBED C=CCCC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1CCNC(=O)C1 1061406752 LAXHFWGMUVKLKV-OLZOCXBDSA-N 323.393 -0.178 30 20 DBED C#CCNC(=O)CC(=O)N1CCOC[C@@H]1CNC(=O)C1(C)CC1 1061641898 VMDIMDNRHONRHL-LBPRGKRZSA-N 321.377 -0.730 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)C1CCN(C)CC1 1061847486 LHAVSPDWXQGVMP-OCCSQVGLSA-N 322.409 -0.169 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CCCCN1C(=O)[C@H]1CNC(=O)N1 1062329554 ZQFAPAQDMXDYJA-CHWSQXEVSA-N 318.377 -0.422 30 20 DBED Cn1ncc(C(=O)N2C[C@@H]3C[C@H]2CN3c2nccnc2C#N)c1N 1062479711 HNIOLFLUIKPXGI-UWVGGRQHSA-N 324.348 -0.233 30 20 DBED CC(=O)NCC(=O)NC1(CNC(=O)c2c[nH]c(C#N)c2)CCC1 1062828202 QAHQDALAHNDTIL-UHFFFAOYSA-N 317.349 -0.209 30 20 DBED Cn1cnc(C(=O)N2CCO[C@H](CNC(=O)C#CC3CC3)C2)c1 1065046136 MIFCZRFJLINKRW-CYBMUJFWSA-N 316.361 -0.209 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)Cn2cnnc2O)CCO1 1065068623 LWDDHGLAKDWSKG-NSHDSACASA-N 323.353 -0.707 30 20 DBED COC(=O)NCC(=O)NC[C@@H]1CN(C(=O)C#CC2CC2)CCO1 1065134687 LBWVJGJVHDXRQB-GFCCVEGCSA-N 323.349 -0.901 30 20 DBED O=C(CN1CCCC1)NC[C@H]1CN(C(=O)C#CC2CC2)CCO1 1065137111 MMTQHTZEAQOJQQ-HNNXBMFYSA-N 319.405 -0.161 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)[C@@H](C)CC(N)=O)CCO1 1065422165 XJWJEXODQLHQQL-STQMWFEESA-N 323.393 -0.499 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)CCN(C)C)CCO1 1065570279 KHWGSNLSPIPZIQ-CYBMUJFWSA-N 313.398 -0.516 30 20 DBED Cc1cc(C#N)nc(N2CC[C@@H](NC(=O)C(N)=O)C[C@@H]2C)n1 1067566586 VIGROQSFYSXZHH-VHSXEESVSA-N 302.338 -0.385 30 20 DBED N#Cc1cnccc1N1C[C@H](O)[C@H](CNC(=O)c2nc[nH]n2)C1 1067676066 LVDFXNICYBHVIH-PWSUYJOCSA-N 313.321 -0.702 30 20 DBED Cn1cnc(C(=O)N2C[C@H]3CC[C@H]2CN3c2ccnc(C#N)n2)n1 1068042005 NIYRZJHGWKUHKS-MNOVXSKESA-N 324.348 -0.030 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(C[C@H](NC(=O)CCN(C)C)CO2)C1 1069008418 FVVNZVHZRZPVNK-RYUDHWBXSA-N 308.382 -0.416 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1COC2(C1)CN(C(=O)C(C)(C)C(N)=O)C2 1069009431 ZRWOTNYFZKVSOR-ZJUUUORDSA-N 322.365 -0.856 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)Cc2cnc[nH]2)CCOCC1 1070276001 OHWJNQYBYPEDSA-LLVKDONJSA-N 319.365 -0.107 30 20 DBED C=CCOCC(=O)N[C@@H]1CCCN(C(=O)C2CN(C(C)=O)C2)C1 1070661062 LTMOUWRYNIERDI-CQSZACIVSA-N 323.393 -0.226 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CCCN(C(=O)CNC(=O)NC)C1 1070855973 CNQFZXVXUYABJW-VXGBXAGGSA-N 324.381 -0.939 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)Cc4ncc[nH]4)C[C@@]3(C1)O2 1070874658 UDFVNCOGWUBRHG-WOSRLPQWSA-N 300.362 -0.113 30 20 DBED C[C@H](O)CN1CCNC(=O)CCN(C(=O)C#CC2CC2)CC1 1070961971 ALMYUBQZPPQOOQ-ZDUSSCGKSA-N 307.394 -0.569 30 20 DBED C[C@H]1OCC[C@@]1(C)C(=O)N1CCC(=O)NCCN(CC#N)CC1 1070983710 BLBUKLNWXMTIKX-CZUORRHYSA-N 322.409 -0.024 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)c2cncc(C#C)c2)CC1 1070997300 BXCIENWELXSTCC-UHFFFAOYSA-N 324.384 -0.040 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CNC(=O)N2)C1 1071208044 UHJDSEDFFQBTKU-NEPJUHHUSA-N 306.366 -0.566 30 20 DBED C#CCN1CC[C@@]2(C1)CN(C(=O)c1cnn(C)n1)C[C@H](C)O2 1071220566 HTXCLFSVYZIDPF-SWLSCSKDSA-N 303.366 -0.246 30 20 DBED CC#CCN1C[C@H](NC(=O)c2nnc(O)nc2O)CC[C@@H]1C 1071651985 LACJJQHFVVNUFK-VHSXEESVSA-N 305.338 -0.111 30 20 DBED C#CCCCC(=O)N[C@H]1CN(C(=O)CC(=O)NCC#C)C[C@H]1C 1071935320 ADVNJUIAPMWZCE-KGLIPLIRSA-N 317.389 -0.108 30 20 DBED CC#CCN1C[C@@H](NC(=O)CN2C(=O)CNC2=O)CC[C@H]1C 1072054315 ATEMQWFSYDLAQK-NEPJUHHUSA-N 306.366 -0.469 30 20 DBED CNC(=O)NCC(=O)N[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@@H]1C 1072062640 GANFRMSIRJDMDT-NWDGAFQWSA-N 322.409 -0.072 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(O)CCN(C(=O)[C@H](C)C#N)CC1 1074704709 HCHGDACUULQXTN-DOMZBBRYSA-N 323.393 -0.057 30 20 DBED COC[C@@H](C)C(=O)NCC1(O)CCN(C(=O)[C@@H](C)C#N)CC1 1074705782 ZDFXASIQWDLZEU-NWDGAFQWSA-N 311.382 -0.102 30 20 DBED C[C@@H]1C[C@H](NC(=O)CC(N)=O)CCN1C(=O)c1ccc(C#N)[nH]1 1074908671 ALBMGEKTYSKWHX-NXEZZACHSA-N 317.349 -0.129 30 20 DBED C=CCO[C@H](C)C(=O)NCC[C@H](C)NC(=O)[C@@H]1CCC(=O)N1 1077066191 JDXKMSURHOAUTF-TUAOUCFPSA-N 311.382 -0.133 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCCS2(=O)=O)C1 1077129124 UPGZWBBPUKOMRW-UPJWGTAASA-N 314.407 -0.862 30 20 DBED CC(C)(C)n1cccc(C(=O)N[C@@H]2CN(CC#N)C[C@H]2O)c1=O 1077805952 VDXNFZUIXSDXGO-CHWSQXEVSA-N 318.377 -0.098 30 20 DBED CC(=O)N1CCCC[C@@H]1CC(=O)N[C@@H]1CN(CC#N)C[C@H]1O 1077825757 UHRPNPUQFWATMA-MGPQQGTHSA-N 308.382 -0.538 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H](C)CCNC(=O)[C@H]1CCC(=O)N1C 1077950156 GHQPSXBFNHJDHM-RWMBFGLXSA-N 323.393 -0.344 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)c2cn([C@@H]3CCOC3)nn2)C1 1077965765 OCKCSYOZXKTGHE-YRGRVCCFSA-N 319.365 -0.962 30 20 DBED C#CCN1CCC(C(=O)N[C@@H]2CN(C[C@H](C)OC)C[C@H]2O)CC1 1078227089 ILVGVVWFQBPHNS-NUEKZKHPSA-N 323.437 -0.472 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@@H]1CCCN(C(=O)c2nnn(C)n2)CC1 1079058589 GREROGRDRGXCQB-WDEREUQCSA-N 319.369 -0.177 30 20 DBED C=CCOCC(=O)N1CC(N(CC)C(=O)[C@H](C)NC(N)=O)C1 1079665469 VWMXNAGMUKBVFW-JTQLQIEISA-N 312.370 -0.695 30 20 DBED CC#CCN1C[C@@H](NC(=O)[C@@H]2CCN(C)S2(=O)=O)[C@H](C)C1 1080596923 GBRDJXAEKHZQKK-UPJWGTAASA-N 313.423 -0.520 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CO)(NC(=O)[C@@H]2CCOC2)CC1 1080760441 FVGICNOQPHSUBT-NWDGAFQWSA-N 309.366 -0.348 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)CSC)C[C@@H]1O 1081343701 GCTGIAVCPSPAKP-MNOVXSKESA-N 302.396 -0.513 30 20 DBED C=CCN1C[C@@H](NC(=O)c2cnc3[nH]nnc3c2)[C@H](OC)C1 1081803114 UQOCFPFELSHJCI-VXGBXAGGSA-N 302.338 -0.032 30 20 DBED C=CCCN1C[C@@H](NC(=O)CN2CCOCC2=O)[C@H](OC)C1 1081803244 ZSJXSQWYKFGHFZ-CHWSQXEVSA-N 311.382 -0.763 30 20 DBED CC#CCN1C[C@@H](NC(=O)C[C@H]2CCC(=O)N2C)[C@H](OC)C1 1082017644 SFWSHKKRNBDZIW-MGPQQGTHSA-N 307.394 -0.164 30 20 DBED C=C(C)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CN(C)CCO1 1083034599 JFHHUVSPLXEINW-RRFJBIMHSA-N 309.410 -0.195 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)C[C@H]1CCC(=O)NC1 1083104218 WPWNYBGFCZFGMX-QLFBSQMISA-N 319.405 -0.162 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)COC1CCN(C)CC1 1083234920 CJEVBMYKWSKLGK-JKSUJKDBSA-N 321.421 -0.358 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)c2cn(C)c(C)cc2=O)C1 1083547542 QLAPRZHDUJODAV-HIFRSBDPSA-N 303.362 -0.508 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2COCCN2CCCC)C1 1083670659 INDZYPRVZIOQNA-ILXRZTDVSA-N 309.410 -0.718 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2COCCN2CCCC)C1 1083670845 QAUSHVCKBIHQPU-PMPSAXMXSA-N 323.437 -0.328 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)[C@]2(C)CCCS2(=O)=O)C1 1083851745 OLCIGXBUSBXDFP-DYEKYZERSA-N 316.423 -0.309 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](N[C@H](C)C(N)=O)C1 1086110097 SXPNNHAWVHKCGH-MQYQWHSLSA-N 306.410 -0.558 30 20 DBED C[C@H](C[C@@H](C)NC(=O)Cn1cnnn1)N=c1cc[nH]cc1C#N 1089214576 IXAIWADVTSKGRB-GHMZBOCLSA-N 314.353 -0.243 30 20 DBED C=C(Cl)CN1CC[C@H](NC(=O)CN2CCCC2=O)[C@@H](O)C1 1090060502 LAPWOTNRMAZZMX-RYUDHWBXSA-N 315.801 -0.087 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2cn(C)nc2COC)[C@@H](O)C1 1090371554 LKMXQBGBXWHIEW-OCCSQVGLSA-N 306.366 -0.635 30 20 DBED CCCN(C)CC(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1O 1090464476 KRKNJSREXCCPOS-CHWSQXEVSA-N 318.381 -0.644 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2ccc(C(N)=O)cc2)[C@@H](O)C1 1090802507 OYJVOSRKFLSDQO-GJZGRUSLSA-N 315.373 -0.026 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2ccc(C(N)=O)cc2)[C@H](O)C1 1090802508 OYJVOSRKFLSDQO-HUUCEWRRSA-N 315.373 -0.026 30 20 DBED C=CCOCC(=O)N1C[C@@H](Nc2nccn3nnnc23)[C@H](C)C1 1090955822 GVRJOIYQKSZOME-GHMZBOCLSA-N 317.353 -0.019 30 20 DBED CNC(=O)CC(=O)NC[C@H]1C[C@@H](Nc2cncc(C#N)n2)C1 1091340743 WLJPKYKQEDIGMI-AOOOYVTPSA-N 302.338 -0.209 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)Cc3cnc[nH]3)c3nccn32)C1 1092400744 QKELRPIBVIDAOD-GFCCVEGCSA-N 311.349 -0.056 30 20 DBED N#Cc1cnc(NCCNC(=O)C[C@@H]2CC(=O)NC2=O)c(F)c1 1093717543 NQWCZVFVWZQSCD-SECBINFHSA-N 319.296 -0.327 30 20 DBED C[C@@H]1CCN(C(=O)C(=O)NCCN=c2cc[nH]c(C#N)n2)C1 1093870161 OUWBKFJTAGXRKA-SNVBAGLBSA-N 302.338 -0.833 30 20 DBED CC(C)N1CCO[C@@H](C(=O)NCCNc2cnc(C#N)cn2)C1 1094083100 QYVSHBPPXQEBCW-CYBMUJFWSA-N 318.381 -0.014 30 20 DBED C=C[C@](C)(O)CC(=O)NCCCN=c1cc[nH]c(C(=O)OC)n1 1094384382 QZRVCGRFVSVSBQ-HNNXBMFYSA-N 322.365 -0.070 30 20 DBED Cc1c[nH]cc1C(=O)N1CCN(CC#N)[C@H]2CS(=O)(=O)C[C@H]21 1094678806 ADBVTQXFGAOOMS-QWHCGFSZSA-N 322.390 -0.230 30 20 DBED C=CCCN1CC(N2C[C@@H](NC(=O)[C@@H]3COCCO3)CC2=O)C1 1094710380 SUAVZQUFTXJPQA-JSGCOSHPSA-N 323.393 -0.621 30 20 DBED COc1ccc(C(=O)N[C@H]2CC(=O)N(C3CN(CC#N)C3)C2)o1 1094803194 IZZBSDOOLJUTOW-JTQLQIEISA-N 318.333 -0.173 30 20 DBED COC[C@@H](OC)C(=O)N1CCC[C@@H](N=c2cc[nH]c(C#N)n2)C1 1095327608 ZHMPPOIXYQCEGQ-VXGBXAGGSA-N 319.365 -0.166 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](Nc2cc(C)ncn2)C1 1096934918 UKJFFARNOZFSQL-LBPRGKRZSA-N 301.350 -0.063 30 20 DBED C[C@H](NC(=O)C(N)=O)[C@H]1CCCN(c2ccc(C#N)nn2)C1 1097548247 SIUMIZFARRCEDK-UWVGGRQHSA-N 302.338 -0.445 30 20 DBED COCCO[C@@H](C)C(=O)N1CCC(N(CC#N)CCO)CC1 1098491485 ILPIXMQQSUYNGG-ZDUSSCGKSA-N 313.398 -0.153 30 20 DBED C#CCN1C[C@@H]2CCC[C@]2(NC(=O)CN2C(=O)CCC2=O)C1 1099153482 GNXUVGKKGMZUGP-LRDDRELGSA-N 303.362 -0.261 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)c2ccns2)[C@H](O)C1 1099853998 ZQEBCCHELMLSJN-GHMZBOCLSA-N 324.406 -0.390 30 20 DBED COC(=O)[C@H]1C[C@H]1C(=O)NCCN(C)c1cnc(C#N)cn1 1099961245 NJSPBNKZJGXSTO-MNOVXSKESA-N 303.322 -0.290 30 20 DBED N#CCNC(=O)CN1CC[C@H](NC(=O)CCCC2CC2)[C@@H](O)C1 1099964136 HENLVCLYMOWNDB-KBPBESRZSA-N 322.409 -0.242 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2conc2C)[C@H](O)C1 1099978445 GGIKVACJOVUNAD-ZIAGYGMSSA-N 307.350 -0.202 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CCN2CCOCC2)[C@@H](O)C1 1100036940 PZEPRCTVTSFKAM-CABCVRRESA-N 309.410 -0.717 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)Cc2nnc(C)o2)C1 1100302599 LJLQLPADTTUBIR-UHFFFAOYSA-N 319.365 -0.846 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)[C@H](C)OCC=C)C1 1101058783 UQNDFGPKRVZFIU-HSBZDZAISA-N 307.394 -0.189 30 20 DBED CCS(=O)(=O)N[C@@H](C)C(=O)NC[C@@H]1CN(CC#N)C[C@H]1C 1101986812 MSENEFNNFBSTEC-GRYCIOLGSA-N 316.427 -0.478 30 20 DBED C#CCN1C[C@@H](C)[C@H](CNC(=O)[C@@H](CCC(N)=O)NC(C)=O)C1 1102469344 BXRBVLQKVIJBNX-MRVWCRGKSA-N 322.409 -0.926 30 20 DBED C=CCOCC(=O)N(C)[C@@H]1CCN(c2nccn3nnnc23)C1 1102692492 VSRXGUIWKCJCSP-LLVKDONJSA-N 317.353 -0.241 30 20 DBED C[C@@H](CNC(=O)[C@@H]1COC(=O)N1)CNc1nccnc1C#N 1103944887 FZHCFXRMKJEOTM-SCZZXKLOSA-N 304.310 -0.379 30 20 DBED C[C@H](CNC(=O)[C@H]1CNC(=O)N1)CNc1nccnc1C#N 1104183979 SZBDOTDYJDCOKM-WCBMZHEXSA-N 303.326 -0.806 30 20 DBED C[C@H](CN=c1cc[nH]cc1C#N)N(C)C(=O)[C@H]1COCCN1C 1104527016 KKUPMFQOAAOQTF-IUODEOHRSA-N 317.393 -0.035 30 20 DBED C[C@H](CNc1ccc(C#N)nn1)N(C)C(=O)Cn1nccn1 1104701915 PTRAHJWGSXWCLK-SNVBAGLBSA-N 300.326 -0.101 30 20 DBED C=CCNC(=O)[C@H](C)NCc1cn(C2CN(C(=O)CC)C2)nn1 1105125369 KNJVIHSQNOFYIL-NSHDSACASA-N 320.397 -0.148 30 20 DBED C#CCNCc1cn(C2CN(C(=O)CN3CCCC3=O)C2)nn1 1105152591 CERFQGKKVBJAMT-UHFFFAOYSA-N 316.365 -0.993 30 20 DBED N#CCNCc1cn(C2CN(C(=O)Cn3cccn3)C2)nn1 1105155775 WLIHTONQBKNTMP-UHFFFAOYSA-N 300.326 -0.829 30 20 DBED C#CCNCc1cn(C2CN(C(=O)c3cc(C)ncn3)C2)nn1 1105214014 YZLGASSGAVTTNM-UHFFFAOYSA-N 311.349 -0.204 30 20 DBED CN1CCC(C(=O)N2CC(n3cc(CNCC#N)nn3)C2)CC1 1105319113 ZKPYCFZOARUFEJ-UHFFFAOYSA-N 317.397 -0.384 30 20 DBED CC(=O)N[C@@H](C)C(=O)N(C)CCN(C)c1cnc(C#N)cn1 1105319274 GFTLYIPIRGTUQU-JTQLQIEISA-N 304.354 -0.233 30 20 DBED Cc1cc(=NC[C@@H](O)CNC(=O)COC(C)C)c(C#N)c[nH]1 1105732739 XOGACYAPZBGYDL-CYBMUJFWSA-N 306.366 -0.002 30 20 DBED Cc1[nH]nc(C(=O)NC[C@@H](O)CNc2ccc(C#N)nn2)c1C 1105762819 VSWGKCMBGHDJOT-NSHDSACASA-N 315.337 -0.109 30 20 DBED C[C@@](O)(CC(=O)NC[C@@H](O)CNc1ccc(C#N)nn1)C1CC1 1105826880 LYEMROIROQOLTL-SWLSCSKDSA-N 319.365 -0.212 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)[C@H]2CCOC2)C[C@H]1C 1105902779 JUZGNXPZIVPFQN-HZSPNIEDSA-N 307.394 -0.544 30 20 DBED N#Cc1nc(=NC[C@H](O)CNC(=O)Cc2cncs2)cc[nH]1 1105992854 BDGLBWHQKUZNQW-VIFPVBQESA-N 318.362 -0.642 30 20 DBED C[C@]1(C(=O)NC[C@H](O)CNc2ncccc2C#N)CNC(=O)C1 1106027485 INROJKFUBWXFNH-IAQYHMDHSA-N 317.349 -0.632 30 20 DBED CO[C@H](C(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1)C(C)C 1106093106 UVUJHEGZQPWCIN-MFKMUULPSA-N 307.354 -0.670 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)[C@H]2CCC(=O)NC2)nc1 1106170386 RCGICYOEPOGGHA-RYUDHWBXSA-N 317.349 -0.632 30 20 DBED C[C@@H](CCNc1cnc(C#N)cn1)NC(=O)[C@H]1CCNC1=O 1106515256 IMEADNPQDYEPAZ-ONGXEEELSA-N 302.338 -0.209 30 20 DBED CCS(=O)(=O)CC(=O)NC/C=C/CNc1nccnc1C#N 1107222643 QAKRHAJSGMKEOK-ONEGZZNKSA-N 323.378 -0.133 30 20 DBED C[C@H](CNc1ccc(C#N)nn1)NC(=O)C[C@H]1CCNC1=O 1107979061 YMHGHEPXIAFHLD-NXEZZACHSA-N 302.338 -0.209 30 20 DBED CCc1nc(C#N)cc(NC[C@H](C)NC(=O)CNC(C)=O)n1 1108232317 IYQVHTKVGFOPCS-VIFPVBQESA-N 304.354 -0.037 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)[C@H]2CCCC(=O)N2C)C1 1108373359 UMDMECGFFMDJSP-CJNGLKHVSA-N 307.394 -0.162 30 20 DBED C[C@@H](CNc1nccnc1C#N)NC(=O)[C@H]1CCN(C)C1=O 1108646598 GRWQOIQUXXRPQK-VHSXEESVSA-N 302.338 -0.257 30 20 DBED Cc1cc(C#N)nc(N(C)C[C@@H](C)NC(=O)[C@H]2C[C@H]2C(N)=O)n1 1109243101 RLBZPCOJZXIUTK-JLLWLGSASA-N 316.365 -0.281 30 20 DBED C=CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CNC(=O)CNC(C)=O 1109459617 WBUMAMYAUAAYTL-AGIUHOORSA-N 308.382 -0.854 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CC(=O)N(C)C 1109812808 QGRCVGGJFPXOSH-RDBSUJKOSA-N 307.394 -0.164 30 20 DBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cc1cc[nH]n1 1110409959 UFTDUHIWDOPMMQ-MCIONIFRSA-N 317.393 -0.024 30 20 DBED N#Cc1nc(=NCCN(Cc2ccccc2)C(=O)C(N)=O)cc[nH]1 1111283880 SOENSUYAOIFRJZ-UHFFFAOYSA-N 324.344 -0.304 30 20 DBED COCCOCC(=O)N(CCO)CCNc1cnc(C#N)cn1 1111435709 ACZTZZIYQLVUIP-UHFFFAOYSA-N 323.353 -0.756 30 20 DBED C[C@]1(C(=O)N(CCO)CCN=c2cc[nH]c(C#N)n2)CCOC1 1111497767 PTZFZLRLMATHFB-HNNXBMFYSA-N 319.365 -0.570 30 20 DBED CC(C)(O)CC(=O)NC[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1O 1112717104 DVWBWQFAUFSBOR-ZYHUDNBSSA-N 319.365 -0.577 30 20 DBED C#CCNC(=O)CC(=O)N1CCN(Cc2csnn2)CC1 1112774062 FJGHFLOAPHVLSG-UHFFFAOYSA-N 307.379 -0.678 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)C2CCC(O)CC2)CC1 1112811932 BEBOWNAUPBMXMJ-WLYUNCDWSA-N 321.421 -0.180 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCN(Cc2ncnn2CCF)CC1 1112844805 HRYBYCYGYXWQPG-ZDUSSCGKSA-N 323.372 -0.070 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)C[C@@H](C)COC)CC1 1113484323 GCNZXDGUZRGXHJ-KGLIPLIRSA-N 309.410 -0.059 30 20 DBED CC(=O)N1CC(C(=O)NC[C@@H](C)N(C)c2ccnc(C#N)n2)C1 1113579431 MTOMPIKXMBSRGK-SNVBAGLBSA-N 316.365 -0.233 30 20 DBED N#CCNC(=O)CN1C[C@H]2C(NC(=O)C[C@@H]3CCOC3)[C@@H]2C1 1114089038 ZDCDDGXAXJTZIY-QJPTWQEYSA-N 306.366 -0.901 30 20 DBED CCCN(C)CC(=O)NC1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]12 1115149901 JGTUCIZAQMJSFH-VXGBXAGGSA-N 307.398 -0.986 30 20 DBED Cc1cc(=N[C@@H](C)CN(C)C(=O)CS(C)(=O)=O)c(C#N)c[nH]1 1115632216 IRBCGVMLDVCFKT-NSHDSACASA-N 324.406 -0.013 30 20 DBED C=CCCN1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 1116346204 PHAGCCHMLKZUIM-ZDUSSCGKSA-N 315.439 -0.517 30 20 DBED CC(C)CCNC(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1116958594 RBESHYAQZZDSBU-OUKQBFOZSA-N 322.365 -0.209 30 20 DBED C#CCOCCNC(=O)C(=O)NCCNC(=O)c1cccs1 1116993775 VVPPULDGQZBHMV-UHFFFAOYSA-N 323.374 -0.640 30 20 DBED CN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCc1ncn(C)n1 1117389865 VTKHYFFJHFNOLB-UHFFFAOYSA-N 312.333 -0.038 30 20 DBED C#CCOCCNC(=O)C(=O)N1C[C@H](C)O[C@@]2(CCOC2)C1 1117437293 XUJJAGAVMHECOE-WFASDCNBSA-N 310.350 -0.841 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)N[C@@H]2CCN3CCC[C@@H]3C2)C1 1118144967 GJUDVEDKLQRKBD-IOASZLSFSA-N 320.393 -0.394 30 20 DBED Cc1cc(=N[C@@H](C)CN(C)C(=O)[C@H]2CNC(=O)N2)c(C#N)c[nH]1 1120632832 DLFSYTSEMDNJMZ-GXFFZTMASA-N 316.365 -0.376 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)c2ccc(O)nn2)nn1 1121177180 GXDQEBCVHOZNOI-SECBINFHSA-N 315.293 -0.953 30 20 DBED N#Cc1nc(=N[C@@H](CO)CNC(=O)c2ccnc(O)c2)cc[nH]1 1121310929 MZMMFGYYDPIKAE-SNVBAGLBSA-N 314.305 -0.926 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H](CO)Nc1ncnc2c1CCC2 1122037105 UCTUWYYGDOMEBP-NWDGAFQWSA-N 318.377 -0.107 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)CC2=CCOCC2)nn1 1122480940 WFHRHQSISTYOHS-CYBMUJFWSA-N 317.349 -0.026 30 20 DBED CN(C[C@@H](O)CNc1nccnc1C#N)C(=O)[C@H]1CCCO1 1124065899 PCGBOOWVPJUBQF-CMPLNLGQSA-N 305.338 -0.242 30 20 DBED CN(C[C@H](O)CNc1cncc(C#N)n1)C(=O)[C@H]1CCOC1 1124139828 CSTQSKCJTMGATM-CMPLNLGQSA-N 305.338 -0.384 30 20 DBED CC(C)N(C)CC(=O)N(C)C[C@@H](O)CNc1nccnc1C#N 1124381062 IBFZPODLPJQIHY-LBPRGKRZSA-N 320.397 -0.080 30 20 DBED CN(C[C@@H](O)CNc1cnc(C#N)cn1)C(=O)[C@]1(F)CCOC1 1124665108 HNHIKNOESYPRBF-FZMZJTMJSA-N 323.328 -0.292 30 20 DBED CCOCC(=O)N(C)C[C@@H](O)CN(C)c1nccnc1C#N 1124949770 BJGNSSGJWRUYGM-LLVKDONJSA-N 307.354 -0.360 30 20 DBED C=CCNCc1nnc2n1CC[C@@H](NC(=O)CNC(C)=O)CC2 1127917598 GMFKXHLLDVDSCO-LBPRGKRZSA-N 320.397 -0.489 30 20 DBED COCCNCc1nnc2n1CC[C@H](NC(=O)[C@H](C)C#N)CC2 1127964493 LSXZETYAHFICEO-VXGBXAGGSA-N 320.397 -0.005 30 20 DBED N#CCN1CCn2ncc(CNC(=O)CN3CCCC3=O)c2C1 1128224693 YNHSERHPSPJNLM-UHFFFAOYSA-N 316.365 -0.539 30 20 DBED C=CCOCCN1CCn2ncc(CNC(=O)CC(N)=O)c2C1 1128284043 HSKQIURPZHAWPB-UHFFFAOYSA-N 321.381 -0.607 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)Cn1cc(C2CC2)nn1 1129352376 ZEPPGUBGHDOHRV-LLVKDONJSA-N 320.397 -0.448 30 20 DBED C=C(C)CCN[C@@H]1CN(C(=O)CNC(C)=O)C[C@@H]1n1ccnn1 1129537299 RQOILKQLTAQSRS-KGLIPLIRSA-N 320.397 -0.278 30 20 DBED COCC(C)(C)C(=O)N1C[C@H](n2ccnn2)[C@H](NCC#N)C1 1129943177 PVFWPCMILWOKFP-NEPJUHHUSA-N 306.370 -0.184 30 20 DBED C#CCN[C@@H]1CN(C(=O)C(C)(C)COC)C[C@@H]1n1ccnn1 1129943410 ZNPGEEIJHUNHLR-OLZOCXBDSA-N 305.382 -0.075 30 20 DBED CC(C)OCC(=O)NCc1nc([C@H]2COCCN2CC#N)n[nH]1 1130831806 OTMUZELZJIVTKA-LLVKDONJSA-N 322.369 -0.257 30 20 DBED C[C@H](C#N)C(=O)NCc1nc([C@@H]2COCCN2CC#N)n[nH]1 1130836229 YXVYGRIHNJVXLH-ZJUUUORDSA-N 303.326 -0.523 30 20 DBED CC#CCN1C[C@H]2C[C@H]3CN(C(=O)CNC(=O)OC)C[C@@]3(C1)O2 1131190346 GUGZVGXQWYOOBU-WOSRLPQWSA-N 321.377 -0.333 30 20 DBED C#CCCN1CCNC(=O)CCN(C(=O)CCOCC#C)CC1 1131361739 BELADXOAANLASO-UHFFFAOYSA-N 319.405 -0.300 30 20 DBED C=CCCN1CC[C@]2(C1)CN(C(=O)CNC(N)=O)C[C@@H](C)O2 1131632260 MDDYMBRILCHEGC-DOMZBBRYSA-N 310.398 -0.077 30 20 DBED C[C@@H]1CN(C(=O)CCNC(N)=O)C[C@@]2(CCN(CC#N)C2)O1 1131697911 STIAATPMIDZGPZ-RISCZKNCSA-N 309.370 -0.740 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CC[C@H](C)N(CC#CCOC)C1 1131979909 DKOKWBJYEZSCHH-LSDHHAIUSA-N 319.405 -0.255 30 20 DBED C#CCCN1C[C@H](NC(=O)CNC(=O)CNC(C)=O)CC[C@@H]1C 1132131891 LSYAGZPKFTZMSD-GXTWGEPZSA-N 322.409 -0.769 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)c1cnn(C)c1N)NCC(=O)NCC#N 1134198329 WDHUAELLCVBCMI-VHSXEESVSA-N 321.385 -0.871 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)c1ccc2nncn2c1 1135250025 IWNMFAZLPODNDI-NSHDSACASA-N 316.365 -0.261 30 20 DBED CCN(C)CCC(=O)NCCNCC(=O)N(CC)CCC#N 1146718839 HOPGLKPIBTZMNT-UHFFFAOYSA-N 311.430 -0.204 30 20 DBED CC(C)C#CC(=O)N1CC2(CCN([C@H](C)C(=O)NC(N)=O)C2)C1 1147523149 OUSMEWUPCCRQSU-GFCCVEGCSA-N 320.393 -0.237 30 20 DBED C=CCn1cc(C(=O)NCCC2=CCN(CC(N)=O)CC2)nn1 1161417748 UGORAIAOYABEBZ-UHFFFAOYSA-N 318.381 -0.299 30 20 DBED C=CCNC(=O)CNCCCNC(=O)c1nccn2ccnc12 1166899491 ZCFQONHUAWXSAP-UHFFFAOYSA-N 316.365 -0.259 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)NCCCNCc1cnon1 1176967100 WEHDZAMLQIYVQO-UHFFFAOYSA-N 324.385 -0.071 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2cc(C)on2)[C@H]1C 1178073007 GYEDNWYCOQBWBZ-RYUDHWBXSA-N 304.350 -0.075 30 20 DBED C[C@H]1[C@@H](N[C@H]2CCC(=O)NC2=O)CCN1C(=O)CSCC#N 1178147547 FWHLABDKULASEN-DCAQKATOSA-N 324.406 -0.373 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)c2cnsn2)[C@H]1C 1178201102 ZMMPANQWBVBGSS-VWYCJHECSA-N 321.406 -0.131 30 20 DBED N#CCNC(=O)CN[C@@H]1CCN(C(=O)c2csc(O)n2)C1 1185028634 KCEMDBNHRXXKPY-MRVPVSSYSA-N 309.351 -0.707 30 20 DBED C=CCNC(=O)CNC[C@@H]1CCN(C(=O)c2nc[nH]n2)C[C@@H]1C 1185361139 VDTAIJZRSCIHPX-RYUDHWBXSA-N 320.397 -0.205 30 20 DBED CC#CCN[C@@H]1CCN(C(=O)CN2C(=O)NC(C)(C)C2=O)C1 1187589100 UFCYHLVHFMNGOS-LLVKDONJSA-N 306.366 -0.469 30 20 DBED C[C@@H]1CC[C@H](C(=O)N2CC[C@H]3CN(CC(=O)NCC#N)C[C@H]32)O1 1189182541 YPPLFJVTXBTPSM-XJFOESAGSA-N 320.393 -0.274 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)CNC(=O)CC)C1 1189401111 SGEAOERPLKVSJM-LBPRGKRZSA-N 310.398 -0.653 30 20 DBED COCC#CCN(C)[C@@H]1CCN(C(=O)c2cc(=O)n(C)cn2)C1 1190733597 JJVCZHHJATXRED-CYBMUJFWSA-N 318.377 -0.424 30 20 DBED CN1CCC(C(=O)N2CC[C@@H](N(C)CC(=O)NCC#N)C2)CC1 1192135144 QFFZJVRGHKCWFR-CQSZACIVSA-N 321.425 -0.499 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2ccncn2)C1 1192933131 GRZIZHYZWMNLKR-GFCCVEGCSA-N 301.350 -0.628 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C(C)(C)C(=C)C)C1 1195255679 XTHFZSDHSWJKQX-CHWSQXEVSA-N 307.394 -0.501 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCCN(C(=O)Cc2ccon2)CC1 1195372640 HSKWWSWJJKFWSZ-CYBMUJFWSA-N 318.377 -0.111 30 20 DBED C=C[C@@H](CC)CC(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1O 1195555045 WLEGSZNGIIEVTM-YNEHKIRRSA-N 308.382 -0.610 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)[C@@H](CC)NC(C)=O)C1 1196345452 HOLGCSMSJLKFSL-MGPQQGTHSA-N 313.398 -0.735 30 20 DBED CN(C)CC1(C(=O)N2CCCN(CC(=O)NCC#N)CC2)CC1 1196943528 PHBXHIAIBUYTHA-UHFFFAOYSA-N 321.425 -0.498 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C[C@@H](C)CC(C)C)C1 1197698574 KOEJYCATHRBWMZ-RRFJBIMHSA-N 323.437 -0.031 30 20 DBED C#CCOCCC(=O)N1CCC(NCC(=O)NC2CC2)CC1 1200523389 PNVARRFBTPCAAR-UHFFFAOYSA-N 307.394 -0.115 30 20 DBED C=C(C)CNCC1CCN(C(=O)Cn2cnc(C(N)=O)n2)CC1 1205334482 ODPFZZWDOAYTSM-UHFFFAOYSA-N 320.397 -0.219 30 20 DBED CN1CCN(CC(=O)N2CCC(CNCC#N)CC2)CC1=O 1205562574 XRWPWYXLLNXKID-UHFFFAOYSA-N 307.398 -0.888 30 20 DBED C[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 1206776845 ZOQBGSHBJHAFCQ-LDYMZIIASA-N 318.337 -0.869 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)CN2CCCC2)CC1 1206928723 GVQAUGHDDJZDGI-UHFFFAOYSA-N 320.437 -0.340 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2cn(CC)cn2)[C@H](C)C1 1210329818 GTYGKSOUUJJURM-CHWSQXEVSA-N 317.393 -0.298 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)C[C@H](C)COC)C1 1210417386 PYKVNOYBHKKXDW-UONOGXRCSA-N 309.410 -0.011 30 20 DBED C=CCN1C[C@@H](NC(=O)CS(=O)(=O)CCOC)[C@H](OC)C1 1212474092 CBIXWMKCCOQVAT-VXGBXAGGSA-N 320.411 -0.951 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@@H](CC(C)C)NC(C)=O 1213751725 NRIGTPNEQJMJGS-MGPQQGTHSA-N 310.398 -0.124 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@@](C)(NC(C)=O)C(C)C 1213953292 AYRBMWQZJGVMPW-NFAWXSAZSA-N 310.398 -0.124 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)[C@@H]2COCCN2C)C[C@H]1C 1214459127 PUCCLZZPCVQFPS-KFWWJZLASA-N 309.410 -0.597 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@@H](NCC(=O)NC2CC2)[C@H](C)C1 1214602667 WBHCLVLVNKOSRD-MBNYWOFBSA-N 307.394 -0.260 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)CCc2cn[nH]c2)C[C@H]1C 1215847968 NEUDIVOERSJIMS-TZMCWYRMSA-N 317.393 -0.472 30 20 DBED Cc1nc[nH]c1CC(=O)N1C[C@@H](NCC(=O)NCC#N)[C@H](C)C1 1216560908 OIDDEJBOYIQQGD-ZWNOBZJWSA-N 318.381 -0.663 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)c2ccn(C)c2)C1 1219459004 NLUWSTLMRCASBG-YUTCNCBUSA-N 320.393 -0.509 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(Cc2ncccn2)C[C@@H]1O 1219527124 JRTXVBPBZXILSA-TYNCELHUSA-N 306.366 -0.535 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2cnoc2C)C[C@@H]1O 1219605000 GDVOTLFTDWJCHN-BNOWGMLFSA-N 307.350 -0.317 30 20 DBED C=CCCCN1C[C@H](O)[C@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 1219867271 LAWMUNSLBFNWNT-APIJFGDWSA-N 311.426 -0.167 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@H](OC)c2cnn(C)c2)C1 1220081972 LKWLTCVWHVFYMY-HZSPNIEDSA-N 306.366 -0.708 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)C[C@H](C)n2cccn2)C1 1220715974 SGQRLNOBHRXKFH-ZNMIVQPWSA-N 320.393 -0.355 30 20 DBED C#CCOCCC(=O)N1CC[C@H]2CCN(C[C@@H](O)COC)[C@H]2C1 1222670843 GBVIKYPQNHAXLL-OAGGEKHMSA-N 324.421 -0.044 30 20 DBED CN(C[C@@H]1CCN1CC(=O)NCC#N)C(=O)c1cnsn1 1230876503 LFPPZAGQMUXIMK-VIFPVBQESA-N 308.367 -0.676 30 20 DBED C#CCNC(=O)[C@H](C)N(C)CCCNC(=O)C1CCOCC1 1231138708 KWWDXDOPENJZIF-ZDUSSCGKSA-N 309.410 -0.011 30 20 DBED C[C@H](C#N)C(=O)N(C)C[C@H]1CCN1CC(=O)NC(=O)NC1CC1 1231245723 AQHCCILJMRCDOB-ZYHUDNBSSA-N 321.381 -0.333 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)C[C@](C)(O)C1CC1 1233778937 BIUCUMPXPZWQSU-YOEHRIQHSA-N 321.421 -0.180 30 20 DBED CN(C[C@@H]1CCN1CC(=O)NCC#N)C(=O)[C@@H]1CC1(F)F 1234089952 WMZXOBXIUCMADE-UWVGGRQHSA-N 300.309 -0.186 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)CO[C@H]1CCOC1 1234286351 MVDMPDGOVYBERA-KBPBESRZSA-N 323.393 -0.926 30 20 DBED COc1cnc(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)nc1 1261240349 UIRCPOHSALLGCS-ACCUITESSA-N 317.305 -0.259 30 20 DBED N#Cc1cnn(CCOC(=O)Cc2nc3ncccn3n2)c1N 1263289899 UWRIZYVYCYANOW-UHFFFAOYSA-N 312.293 -0.439 30 20 DBED C=CCCS(=O)(=O)N1CCN(C(=O)N2CCOCC2)CC1 1319197790 WRHJAXMBHQWIRS-UHFFFAOYSA-N 317.411 -0.038 30 20 DBED C[C@H]1CCN(CCNC(=O)C(=O)Nc2cnn(CC#N)c2)C1 1319348528 UQEIXFMKKNHZDY-NSHDSACASA-N 304.354 -0.197 30 20 DBED N#CC1(CS(=O)(=O)NC(=O)CCN2C(=O)CCC2=O)CC1 1321748262 SGMMXWXRZYCXHY-UHFFFAOYSA-N 313.335 -0.725 30 20 DBED C#Cc1cccc(CNC(=O)C(=O)N2CCC(O)(CO)CC2)c1 1328124535 JWIUFKPXVIQFCB-UHFFFAOYSA-N 316.357 -0.370 30 20 DBED C=CCOCCNC(=O)C(=O)N(CCO)C1CCOCC1 1329386399 MZDPZPYLUFIFGU-UHFFFAOYSA-N 300.355 -0.695 30 20 DBED C=CC[C@@H](CC)NC(=O)C(=O)NCc1nc(O)cc(CN)n1 1329822254 NATMDLPFARXSMM-SECBINFHSA-N 307.354 -0.272 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CC[C@@H](N)[C@@H](C)C2)nn1 1331950674 QKZGQOXJKKZJHX-CMPLNLGQSA-N 306.370 -0.724 30 20 DBED CN(C[C@H]1C[C@@H](O)C1)C(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1332040506 VDNLLERBSRBGTR-FPMFFAJLSA-N 320.393 -0.586 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)Nc1ccc(=O)n(CCOC)c1 1338111875 ILPMCQJQWBOBCI-LLVKDONJSA-N 323.349 -0.250 30 20 DBED C=C[C@](C)(O)Cc1nc(-c2cn(CCO)c(=O)nc2O)no1 1339293859 LRIJLRQZFQAPIM-ZDUSSCGKSA-N 308.294 -0.529 30 20 DBED C#CCCCn1nnnc1N1CCC[C@@H](S(=O)(=O)NC)C1 1343889915 ZPTBPSAWSMRFNA-LLVKDONJSA-N 312.399 -0.396 30 20 DBED C=CCn1c(C2CC(O)C2)nnc1N1CCO[C@H](C(=O)NC)C1 1351750840 LPEQORQPOYUUAB-MCIGGMRASA-N 321.381 -0.346 30 20 DBED COC(=O)C[C@@H]1CCCN1C(=O)Cn1cc(C#N)c(O)nc1=O 1362529148 MFNKRZDIAQANFL-JTQLQIEISA-N 320.305 -0.625 30 20 DBED N#Cc1c[nH]nc1NC(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1 1363104658 GNYVTROKBLMKND-LLVKDONJSA-N 318.318 -0.050 30 20 DBED CNC(=O)[C@H](CO)NS(=O)(=O)c1c(C)cc(F)cc1C#N 1365698767 MIDDCHKGJPZKDF-JTQLQIEISA-N 315.326 -0.609 30 20 DBED COCc1cncc(C(=O)NC[C@H](O)CNC(=O)[C@H](C)C#N)c1 1399873265 UNJXNYYTHCHUAH-ZWNOBZJWSA-N 320.349 -0.405 30 20 DBED CC(=O)NCC(=O)N[C@]1(C)CCN(C(=O)c2ccc(C#N)[nH]2)C1 1400868931 WYZZLSMNWLKIPN-OAHLLOKOSA-N 317.349 -0.257 30 20 DBED Cc1nccnc1CNC[C@@H](O)CNC(=O)c1cc(C#N)c[nH]1 1406222706 XWEGPMQFLZBXJV-GFCCVEGCSA-N 314.349 -0.135 30 20 DBED C[C@H](CC(N)=O)C(=O)N1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 1407781638 VXEQKUMZIMZUJE-KOLCDFICSA-N 317.349 -0.271 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)c2ccn3nnnc3c2)CC1 1410811015 YJTRVUSSGXNVIR-SECBINFHSA-N 313.321 -0.337 30 20 DBED CCCS(=O)(=O)CC(=O)NC[C@@H](CC)NC(=O)[C@H](C)C#N 1416232053 RXZUDMKVSCKJQO-GHMZBOCLSA-N 317.411 -0.018 30 20 DBED CCN(CCC#N)C(=O)CNC[C@@H]1CCCN1C(=O)COC 1421108968 IVBVNHLHQBZNLQ-ZDUSSCGKSA-N 310.398 -0.024 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CCN(C(=O)c2ccc(C(N)=O)[nH]2)C1 1429624992 YOCQRODJANTBBE-UWVGGRQHSA-N 317.349 -0.054 30 20 DBED CCCN(CCNC(=O)[C@H](C)C#N)C(=O)c1ccc(=O)n(C)n1 1429845779 REJFWFHIGXCAIU-LLVKDONJSA-N 319.365 -0.092 30 20 DBED CN(C)CCCN(CCC#N)C(=O)CCS(=O)(=O)N(C)C 1433626203 NKPDEKFOQZFCHG-UHFFFAOYSA-N 318.443 -0.038 30 20 DBED CCn1nc(C(=O)NC[C@H](C)N(C)C(=O)[C@@H](C)C#N)ccc1=O 1442886427 ZFMIYYSKAOXFEY-QWRGUYRKSA-N 319.365 0.000 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C(=O)[C@@H]1CCNC(=O)C1)C1CC1 1455936633 XAGCSHYIAXSDFP-WDEREUQCSA-N 306.366 -0.221 30 20 DBED N#CCc1ccccc1S(=O)(=O)N1C[C@@H](CO)[C@H](CO)C1 1475533994 WKOWDIUZUOEKAJ-STQMWFEESA-N 310.375 -0.026 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNCc1cn(C(C)(C)C)nn1 1482717011 VKUKWGKJZPGWOS-ZYHUDNBSSA-N 308.386 -0.241 30 20 DBED CC[C@@H](OC)C(=O)N1CCN(CCNC(=O)[C@H](C)C#N)CC1 1524095346 VLXDJPOUGTYUQM-CHWSQXEVSA-N 310.398 -0.169 30 20 DBED CO[C@@H](C)C(=O)N(C)CCN1CCN(C(=O)[C@H](C)C#N)CC1 1530101556 CDCNIHFADJPJTF-OLZOCXBDSA-N 310.398 -0.216 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)c2ccc(C(N)=O)cn2)CC1 1535578998 XIRDOPDEBRBJKE-SECBINFHSA-N 315.333 -0.281 30 20 DBED C=C(C)C[C@@H](NC(=O)c1cn(C[C@@H]2CNC(=O)O2)nn1)C(=O)O 1573324845 ZXBJUMSUOYPXHH-DTWKUNHWSA-N 323.309 -0.464 30 20 DBED C=CCCC[C@H](N)C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)OC 1574902610 DEMBFRQGTQMQHH-QWRGUYRKSA-N 318.395 -0.531 30 20 DBED C[C@H](OCc1cnn[nH]1)C(=O)N1CCCO[C@H](CNCC#N)C1 1575823561 QZRSWVGWRVDWAJ-WCQYABFASA-N 322.369 -0.560 30 20 DBED C[C@@H]1CN(CCNc2cnc(-c3nn[nH]n3)c(C#N)n2)CCO1 1576360966 PCCHQXXJTYGAJG-SECBINFHSA-N 315.341 -0.339 30 20 DBED C=C(CC)Cn1c(=O)c(-c2nn[nH]n2)c(C)n(CCO)c1=O 1588444391 ZXMNGUPXPFEENW-UHFFFAOYSA-N 306.326 -0.543 30 20 DBED C[C@H](CC(=O)O)N1CCN(C(=O)[C@@H](C)n2cnc(C#N)n2)CC1 1592405915 IUANPVBPKPUNJO-GHMZBOCLSA-N 320.353 -0.282 30 20 DBED COC(=O)CN(CC(=O)O)S(=O)(=O)c1ccc(C#N)o1 1610184269 SCPXYPWATHGYFV-UHFFFAOYSA-N 302.264 -0.600 30 20 DBED N#CCN[C@@H](CNC(=O)CCCn1c(O)nnc1O)C1CC1 1752470920 KREGUSSILPKJRX-JTQLQIEISA-N 308.342 -0.523 30 20 DBED N#CCNC(=O)CN1C[C@@H]2CC[C@H](C1)N2C(=O)[C@]1(F)CCOC1 1752543031 TWDHGBDVZGYHAP-ZOWXZIJZSA-N 324.356 -0.570 30 20 DBED C=CCOCCNC[C@H]1CCCN(C(=O)CNC(=O)NC)C1 1752799614 PQQJBZFYXRJNRU-CYBMUJFWSA-N 312.414 -0.054 30 20 DBED C#CCNC(=O)CNC[C@H]1CCCN1C(=O)Cc1cccnc1 1753600548 IISYDWYKAYWHEU-OAHLLOKOSA-N 314.389 -0.046 30 20 DBED N#CCNC(=O)CNC1(CNC(=O)C2=CCOCC2)CCCC1 1753663056 ZTICJCHWCZRKMF-UHFFFAOYSA-N 320.393 -0.009 30 20 DBED C#CCNC(=O)[C@@H](C)NCC[C@@H](C)NC(=O)c1cn(C)cn1 1753957526 PAIJXXWGRYSTLQ-VXGBXAGGSA-N 305.382 -0.344 30 20 DBED C#CCNC(=O)[C@H](C)N(C)C[C@H](C)NC(=O)c1cnns1 1754301919 XSPUVWJVJOFWQM-UWVGGRQHSA-N 309.395 -0.274 30 20 DBED C#CCNC(=O)CNC[C@@H](NC(=O)c1nccc(C)n1)C1CC1 1754439514 PTGCIQBTGGDAIR-CYBMUJFWSA-N 315.377 -0.368 30 20 DBED N#CCNC[C@@H](NC(=O)C1CC2(C1)CS(=O)(=O)C2)C1CC1 1754444755 OVRHZBPTFDMSCL-GFCCVEGCSA-N 311.407 -0.181 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)c2cnn[nH]2)[C@H](C)C1 1754597782 OPEUUMPWKANGHI-GHMZBOCLSA-N 306.370 -0.310 30 20 DBED C=CCCOCC(=O)N[C@]1(C)CCN(Cc2nnn(C)n2)C1 1754685204 GJDCUKLJUJZCDH-CQSZACIVSA-N 308.386 -0.117 30 20 DBED C#CCN1CC(O)(CNC(=O)c2cnn3c(OC)cccc23)C1 1754768348 JXMQMMWDHOWAKJ-UHFFFAOYSA-N 314.345 -0.247 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@@H]2CN(CCn3cncn3)C[C@@H]2C1 1754842207 NXBOYMAXRKTSMI-KFWWJZLASA-N 317.393 -0.293 30 20 DBED CCc1oncc1C(=O)N(CCO)CCNCC#CCOC 1754893156 MSUCVANCLLKGQB-UHFFFAOYSA-N 309.366 -0.089 30 20 DBED C#CCNC(=O)CNC1(CNC(=O)C[C@H]2CCC(=O)N2)CCC1 1754988917 PYMJOPQDMABKOE-GFCCVEGCSA-N 320.393 -0.967 30 20 DBED C#CCCN[C@]1(CO)CCCN(C(=O)[C@@H](CC)NC(C)=O)C1 1755089625 TUDQYAQSJHEHIL-GDBMZVCRSA-N 309.410 -0.133 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)[C@@H]2[C@H]3COC[C@H]32)C[C@@H]1C 1755163173 DPMVQTJAAMGVNX-OJKRMQCYSA-N 319.405 -0.403 30 20 DBED Cc1nnc([C@@H](C)N[C@@H](CO)CNC(=O)CSCC#N)o1 1755624227 OLNPNMZDMFIRLF-PSASIEDQSA-N 313.383 -0.238 30 20 DBED COCC#CCN[C@H](CO)CNC(=O)CCc1nc(C)no1 1755635930 WGORJDSSXJHOHZ-LBPRGKRZSA-N 310.354 -0.973 30 20 DBED C#CCCN[C@@H](CO)CNC(=O)c1cn(-c2ccccc2)nn1 1755644419 WKUNBSFXBYSKCC-CYBMUJFWSA-N 313.361 -0.029 30 20 DBED C#CCCN[C@H]1CCN(C(=O)CN(C)S(=O)(=O)CC)[C@@H]1C 1755662655 AMFHADUWGQFRCL-OLZOCXBDSA-N 315.439 -0.130 30 20 DBED COCC#CCN(C)C[C@@H](O)CN(C)C(=O)c1cc[n+]([O-])cc1 1755798650 YITBPUDPKAVAKV-OAHLLOKOSA-N 321.377 -0.666 30 20 DBED C=CCOCC(=O)N[C@@H](C)C1CN(C(=O)CN(C)C(C)=O)C1 1756130945 WZFKPZIDRIUCNA-NSHDSACASA-N 311.382 -0.370 30 20 DBED C=CCOCC(=O)N1CCO[C@H]([C@@H](C)NC(=O)COC)C1 1756215731 GQQPZLGCPITOIO-NEPJUHHUSA-N 300.355 -0.433 30 20 DBED C=CC(C)(C)C(=O)N[C@@H](CO)CNC(=O)c1n[nH]c(C)c1O 1756514160 SQSWQCKIMBRWMA-SECBINFHSA-N 310.354 -0.157 30 20 DBED NC(=O)NCCC(=O)NC[C@H]1CC[C@H](NC(=O)C#CC2CC2)C1 1756641626 IYCNMHQBLDZSDC-STQMWFEESA-N 320.393 -0.141 30 20 DBED CC(C)C#CC(=O)N(C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCOC1 1756684033 RAYWGSMXIUMPNP-ZIAGYGMSSA-N 310.394 -0.040 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1ccnc1C 1800277703 RNCSCWMXQPGKRV-YWVIFJGQSA-N 316.361 -0.586 30 20 DBED CC(C)(C#N)C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846194615 WQEPQQKVNJHKQX-UHFFFAOYSA-N 303.318 -0.172 30 20 DBED COC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1ccc(C#N)c(C)n1 25030473 VCXIDTRWZIAYPR-GFCCVEGCSA-N 316.317 -0.235 30 20 DBED C[C@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(N)=O 53396046 JTJGRWFKWCYKKO-VIFPVBQESA-N 324.362 -0.518 30 20 DBED CC(C)CN1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC1 73868684 VVGLOORKSFRSMW-UHFFFAOYSA-N 305.382 -0.266 30 20 DBED C/N=C(\NCCNS(C)(=O)=O)N[C@@H]1C[C@@](C)(OC)C1(C)C 85709068 QLKDMHKFSSTWCT-ZWNOBZJWSA-N 320.459 -0.096 30 20 DBED C/N=C(/NCCn1cc(C)cn1)N[C@H]1CCc2ncnn2C1 131702228 UTRFFGFUJHLDSR-LBPRGKRZSA-N 302.386 -0.037 30 20 DBED CNS(=O)(=O)[C@@H]1CCN([C@H](C(N)=O)c2ccc(C#N)cc2)C1 155830565 UHNNQYBPFUNPIQ-OLZOCXBDSA-N 322.390 -0.292 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)c2cc[nH]c(=O)c2)CC1 160235659 POKYGMWIEULEAI-UHFFFAOYSA-N 304.350 -0.565 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(C)Cc2ccon2)C1=O 265869833 ZBMBRULBKUBKEC-UHFFFAOYSA-N 306.278 -0.390 30 20 DBED CN(CC#N)C(=O)[C@@](C)(O)CN1C(=O)NC2(CCCC2)C1=O 276672601 ZNWAMGIENOMUNV-ZDUSSCGKSA-N 308.338 -0.416 30 20 DBED C#CCN(CC#N)C(=O)[C@H](C)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 281485356 IBVOTFFXCGCHOG-CKIKVBCHSA-N 315.329 -0.477 30 20 DBED COc1ncnc(OC)c1C(=O)NCCn1cnc(C#N)n1 286865734 NCNBEEBLRBCTTP-UHFFFAOYSA-N 303.282 -0.613 30 20 DBED C=C[C@@H](CO)NC(=O)[C@@H](CC(N)=O)NC(=O)OC(C)(C)C 290504710 GHTYPHKSFAEZCM-DTWKUNHWSA-N 301.343 -0.582 30 20 DBED CCOC(=O)CCC/N=C(/NC)NCCN1CCOCC1 303704118 JXNWBNCBVBDZID-UHFFFAOYSA-N 300.403 -0.173 30 20 DBED C=CCN(C(=O)[C@@H]1CN(C)CCO1)[C@H]1CCS(=O)(=O)C1 328824466 RMWDPTAKHPXAEJ-RYUDHWBXSA-N 302.396 -0.481 30 20 DBED COCCn1ccc(N/C(O)=N/[C@@H]2CCCS(=O)(=O)C2)n1 329723478 BHQNJOMAAXYLBI-SNVBAGLBSA-N 316.383 0.433 30 20 DBED CC1(C)[C@@H](N/C(O)=N/C[C@@H]2CCN(S(C)(=O)=O)C2)C[C@H]1O 330311427 VSHDFJVHJWDKNG-GARJFASQSA-N 319.427 -0.069 30 20 DBED CN1C[C@H](N/C(O)=N/CCN2CCC(N(C)C)CC2)CC1=O 330495284 WFVMNCFIFNSDBP-GFCCVEGCSA-N 311.430 -0.253 30 20 DBED CCNC(=O)CN1CCN(/C(O)=N/Cc2ncnn2CC)CC1 331047478 GSAOYEQKBQWWIS-UHFFFAOYSA-N 323.401 -0.534 30 20 DBED C=CCNC(=O)NC(=O)CN1CCS(=O)(=O)[C@@H](C)[C@H]1C 334038835 HHQHVLSKMZVOAA-ZJUUUORDSA-N 303.384 -0.494 30 20 DBED CN(C[C@@H]1CCCC[C@@H]1O)S(=O)(=O)N1CCO[C@H](C#N)C1 336897303 OHXBNILIVDWJBI-XQQFMLRXSA-N 317.411 -0.062 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CCO[C@H](C(=O)OC)C1 337098949 UDVGZMTWFQTEPF-JTQLQIEISA-N 305.356 -0.659 30 20 DBED COC(=O)C[C@@H]1COCCN1S(=O)(=O)N(C)C[C@@H](C)C#N 344957775 PMNVRQJAHCTWPY-WDEREUQCSA-N 319.383 -0.413 30 20 DBED C[C@@H](C#N)C(=O)N1CCN([C@H](C)C(=O)N2CCOCC2)CC1 347100299 GAASPZGFUDPAFX-QWHCGFSZSA-N 308.382 -0.462 30 20 DBED C=CCNC(=O)CNC(=O)c1csc(S(N)(=O)=O)c1 347898891 JERHYAVTNSQPPB-UHFFFAOYSA-N 303.365 -0.573 30 20 DBED C=CCOC[C@@H]1NC(=O)N(C[C@H]2CCCS(=O)(=O)C2)C1=O 348963179 YZYLOHFUJHQDLF-MNOVXSKESA-N 316.379 -0.066 30 20 DBED C=C[C@@](C)(O)CC(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 354654808 DMEJTSRREZJRIZ-OAHLLOKOSA-N 323.397 -0.174 30 20 DBED C=CCOC[C@H](NC(=O)[C@@H](C)CN1CCOCC1)C(=O)OC 360724602 CZCPNHJWSRTMMF-STQMWFEESA-N 314.382 -0.185 30 20 DBED COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)CC#N)C1 365173500 VFIUQONSXTZEDL-NSHDSACASA-N 303.384 -0.201 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@H](O)[C@H](C)C2)C1=O 428684817 WLMMBURBTVCYHK-ZJUUUORDSA-N 309.322 -0.808 30 20 DBED C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2CNC(=O)C2)c1 444198065 SINPLKXYUWMQIN-NSHDSACASA-N 323.374 -0.231 30 20 DBED CNC(=O)CN1CCN(S(=O)(=O)c2ccc(C#N)nc2)CC1 486994547 GXVMZGMFBGHDCH-UHFFFAOYSA-N 323.378 -0.994 30 20 DBED C#CCNC(=O)CN1CCN(CCCn2ccnc2C)CC1 491117993 BBWSXWSKFOFACZ-UHFFFAOYSA-N 303.410 -0.051 30 20 DBED C#CCNC(=O)C1CCN([C@@H](C)C(=O)NCCCOC)CC1 491660391 JQHWDCSUMPWMTL-ZDUSSCGKSA-N 309.410 -0.011 30 20 DBED N#Cc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)O)c(F)c1 548233359 HWAPKPXHTQUBAV-SCZZXKLOSA-N 314.294 -0.094 30 20 DBED CN(C)C(=O)[C@H]1CC[C@@H](C(=O)NC[C@@H]2CCCN(CC#N)C2)O1 580910997 TUMYQFIAFLZDHV-MELADBBJSA-N 322.409 -0.026 30 20 DBED C=CCOC[C@@H](NS(=O)(=O)N1CCCOCC1)C(=O)OC 593590715 HWZCELYBUYYMIU-LLVKDONJSA-N 322.383 -0.713 30 20 DBED CC[C@@H](C#N)N(C)C(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 594088731 KGSWBYKFWJSORS-YQPPGCHHSA-N 305.334 -0.091 30 20 DBED CCN(CCC#N)S(=O)(=O)NCC(C)(C)S(C)(=O)=O 619711500 WIIFWXFRMWYVGF-UHFFFAOYSA-N 311.429 -0.120 30 20 DBED C=C(C)CCNC(=O)NCCN1CCN(S(C)(=O)=O)CC1 652282649 HCZDJTDRMZSXTH-UHFFFAOYSA-N 318.443 -0.171 30 20 DBED COC[C@@H](NS(=O)(=O)c1cccc(F)c1C#N)C(N)=O 758480695 GXIPDAXMKTXWBO-SECBINFHSA-N 301.299 -0.524 30 20 DBED Cc1nn(C)c(N2CCN(CC(=O)NCCC#N)CC2)c1C#N 788274122 FGNBLGGBGQITPJ-UHFFFAOYSA-N 315.381 -0.248 30 20 DBED C=C[C@@H](O)C(=O)OCC(=O)Nc1cccc(S(N)(=O)=O)c1 814549237 ZPYQCCLDAVAWSN-SNVBAGLBSA-N 314.319 -0.637 30 20 DBED C=CCOCC(=O)NS(=O)(=O)c1cnn([C@H]2CCOC2)c1 816465007 ROJHXAHDDDJWNB-JTQLQIEISA-N 315.351 -0.148 30 20 DBED CNC(=O)Cn1nc(NC(=O)[C@](C)(C#N)CC(=O)O)cc1C 820637193 FSQSPGSYIJTILN-ZDUSSCGKSA-N 307.310 -0.119 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)c2ccccc2O)CC1 831556473 ONMIXVILBSBYSR-UHFFFAOYSA-N 323.374 -0.382 30 20 DBED C[C@H]1CN(C(=O)C(=O)NCCNc2ncccc2C#N)CCN1 842174575 HLZNZXVHUBGDHS-NSHDSACASA-N 316.365 -0.698 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N1C[C@H](O)C[C@@H]1COC 845109073 ZIJNHKNINSRNHN-GHMZBOCLSA-N 306.384 -0.622 30 20 DBED O=C(Cn1nnnc1-c1ccsc1)N[C@@H]1CCCN(O)C1=O 848131129 YXOHAQSDYDAJGW-SECBINFHSA-N 322.350 -0.102 30 20 DBED C#CCN(CC(=O)N[C@H](CO)[C@@H](C)O)C(=O)OC(C)(C)C 857287765 MEQVAMRFSIQNJL-GHMZBOCLSA-N 300.355 -0.285 30 20 DBED C#CCCN1CCN(C(=O)Cc2ccc(C(N)=O)nc2)CC1 859002925 BSDKGRBGXHMNQK-UHFFFAOYSA-N 300.362 -0.110 30 20 DBED C#CC[C@H](CCOC)NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 863786943 KPKLRSOICWZDDF-ZIAGYGMSSA-N 309.410 -0.059 30 20 DBED CCOCCCNC(=O)[C@H](C#N)C(=O)CN(C)S(C)(=O)=O 916869533 XLJBVKXTSFNWKC-SNVBAGLBSA-N 319.383 -0.871 30 20 DBED Cn1ncc(C(=O)N[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)n1 938278346 WXDNOCDKNAIYNI-JTQLQIEISA-N 313.321 -0.341 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCCCN(C(=O)C(N)=O)C1 943283602 OWLYVWZNWGFBBH-AGIUHOORSA-N 323.393 -0.050 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)c2ccnn2C)C1 944512689 IZOORPOVEYCAHP-QWRGUYRKSA-N 305.338 -0.463 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H]2C[C@H]1[C@H]2NC(=O)Cn1cnnc1O 946958874 LQPLVYUBNAOFOY-SCVCMEIPSA-N 319.365 -0.089 30 20 DBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CCN1C(=O)CC(N)=O 950185474 OPSKWWBMXIVRSN-XUJVJEKNSA-N 323.393 -0.050 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)[C@H]1CCOC1 950313243 PTWSKPLSUNIJMI-KKUMJFAQSA-N 319.405 -0.162 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H](NC(=O)C2CS(=O)(=O)C2)C1 951867937 NGMSXJMROHSSTG-ONGXEEELSA-N 313.379 -0.702 30 20 DBED CN(C(=O)C(N)=O)C1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 954341972 HQYNWQHSBKOTSD-UHFFFAOYSA-N 303.322 -0.565 30 20 DBED C#Cc1cncc(C(=O)NC[C@@H]2CCCN2C(=O)C(N)=O)c1 956189643 FOTLGEDTYMPZAV-LBPRGKRZSA-N 300.318 -0.731 30 20 DBED C#CCN1CCC(C(=O)N2CCN([C@H]3CCNC3=O)CC2)CC1 957776994 ZTBNGWUYBBUABK-HNNXBMFYSA-N 318.421 -0.636 30 20 DBED C=CCN1C[C@H](O)[C@H](CNC(=O)c2c(C)c(C)nn(C)c2=O)C1 958309770 QPKPBPTZLFZWLN-OLZOCXBDSA-N 320.393 -0.394 30 20 DBED C=CCCn1cc(C(=O)NC[C@H]2CN(CCF)C[C@@H]2O)nn1 958468249 UUCPEIOXLSXVNM-AAEUAGOBSA-N 311.361 -0.154 30 20 DBED Cc1cc(C(=O)N(C)[C@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)on1 958496769 GJWNFWOXKWIQNX-MIMYLULJSA-N 306.322 -0.214 30 20 DBED C#CCN1C[C@@H]2C(NC(=O)c3ccn(CCN(C)C)n3)[C@H]2C1 959951619 IXBALIOTOXUKFM-STQMWFEESA-N 301.394 -0.262 30 20 DBED N#CCN1C[C@H]2C(NC(=O)c3ccc(S(N)(=O)=O)o3)[C@@H]2C1 960774811 NMXDFJQUZXIJFL-HTQZYQBOSA-N 310.335 -0.889 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H]2CN(C(=O)c3ncc[nH]3)C[C@@H]21 960885012 VRIQFZJIWBITAE-GARJFASQSA-N 303.322 -0.379 30 20 DBED N#Cc1ccc(C(=O)N2[C@H]3CC[C@H]2CN(C(=O)CC(N)=O)C3)[nH]1 968859426 VQDAMOGSQCSCSL-QWRGUYRKSA-N 315.333 -0.423 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)C(C)(C)c2cnc[nH]2)C1 969076396 VKRCZLWCHDBBID-MXWKQRLJSA-N 319.365 -0.465 30 20 DBED C#CCCN1CC([C@H](C)NC(=O)c2nc(O)nc(O)c2OC)C1 970735726 SNPPYZJQUWYBDC-VIFPVBQESA-N 320.349 -0.030 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@H]1CN2CCN1CCNC1=O 971191755 ALNHUPKVONSTSI-XQQFMLRXSA-N 305.382 -0.154 30 20 DBED CC1(C)NC(=O)N(CC(=O)N2C[C@H]3CC[C@H]2CN3CC#N)C1=O 972080957 WIAKBBBEJJGDFT-MNOVXSKESA-N 319.365 -0.484 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)[C@H]3CN(C)CCO3)C2)C1 972317183 RZXJVHZPVOKMKC-GDBMZVCRSA-N 307.394 -0.747 30 20 DBED N#CCN1CCO[C@]2(CCN(C(=O)CCc3nc[nH]n3)C2)C1 972324938 SVRMWCOWGAXYRT-CQSZACIVSA-N 304.354 -0.436 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)c3cccc(=O)n3C)C2)C1 972546636 QZEOMARBRMTBJJ-KRWDZBQOSA-N 315.373 -0.065 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]2CCN(C(=O)Cc3nc[nH]n3)[C@H]2C1 975966705 HQVWHOKWEOQXCW-SRVKXCTJSA-N 316.365 -0.044 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)[C@@]3(C)CCNC(=O)C3)[C@H]2C1 976765311 YWRJVDHWSWQAHR-ANBXVWAOSA-N 318.377 -0.365 30 20 DBED C=CCN1C[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C(C)(C)C1 977623794 WQWNBPJKXSWLHM-LLVKDONJSA-N 306.370 -0.610 30 20 DBED C=CCCn1cc(C(=O)N2CC[C@@H](NCC(N)=O)[C@@H]2C)nn1 987169637 QEYRFQNKIXCPQX-WDEREUQCSA-N 306.370 -0.468 30 20 DBED CN(C[C@@H]1CCN(C(=O)C#CC2CC2)C1)C(=O)[C@H]1CCC(=O)N1 987986841 VTBQFOFVJOKSSO-UONOGXRCSA-N 317.389 -0.015 30 20 DBED C#CCN1CCC(C(=O)NC2CN(C(=O)c3cnco3)C2)CC1 993854622 FQXHINPFABPJDE-UHFFFAOYSA-N 316.361 -0.040 30 20 DBED C=C(C)CN1CCC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 1007368513 IAMPFMFFAIMHGT-NSHDSACASA-N 306.370 -0.466 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)C(N)=O)[C@H]2C)nc1 1012014766 GJQYCXMNIUSHLX-GXSJLCMTSA-N 300.318 -0.733 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H]2C(NC(=O)c3nnn(C)n3)[C@H]2C1 1013596390 LRZJFJXMQLIWJM-IUCAKERBSA-N 304.354 -0.391 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H](N[C@H]3CCNC3=O)C2)nn1 1019482976 DSERKCHRNKSPDS-QWRGUYRKSA-N 304.354 -0.843 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@H]2C[C@H](N[C@H]3CCC(=O)NC3=O)C2)c1 1020058443 ILFCXDCVKKFXQV-DCAQKATOSA-N 315.333 -0.458 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NCc2nnnn2C)C1 1022220571 KGTUJFTYHZERKH-XQQFMLRXSA-N 317.397 -0.956 30 20 DBED CN1CCN(CC(=O)N2C[C@H]3[C@@H](NCC#N)CC[C@H]3C2)CC1=O 1026298449 PMUUEBDHIBLMNW-MJBXVCDLSA-N 319.409 -0.889 30 20 DBED CN1C(=O)CN(CC(=O)N2C[C@@H]3CC[C@@H](NCC#N)[C@H]3C2)C1=O 1026396570 GEXFKLQFLGPZPS-SDDRHHMPSA-N 319.365 -0.769 30 20 DBED C#CCOc1ncccc1C(=O)NC[C@@H]1CCN(CC(N)=O)C1 1028937119 MFIJBWCWROTILX-LBPRGKRZSA-N 316.361 -0.369 30 20 DBED C=C(Cl)CN1CC(NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 1030765765 LPOZNZJMZPUCSJ-UHFFFAOYSA-N 322.760 -0.140 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)Cc3ncc[nH]3)C2)C1=O 1031145082 JISRPEJOPGRSJN-GFCCVEGCSA-N 303.366 -0.461 30 20 DBED C=CCn1cc(C(=O)NCC2CN(CC(=O)N(C)C)C2)nn1 1032035767 LVOVYKQHMSYPME-UHFFFAOYSA-N 306.370 -0.786 30 20 DBED C#CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCc2nnnn2CC1 1032639814 RVKNCHXYZBYKIL-AGIUHOORSA-N 300.366 -0.456 30 20 DBED C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCN(C)S1(=O)=O 1032676622 AOQXHTHZIUVHPA-RWMBFGLXSA-N 313.423 -0.119 30 20 DBED CC#CCN1C[C@@H]2C[C@H]1CN2C(=O)CN1CCC(=O)NC1=O 1032717448 IPGDPBWSZCHHAH-RYUDHWBXSA-N 304.350 -0.763 30 20 DBED CC#CCN1C[C@@H]2C[C@H]1CN2C(=O)CN1C(=O)CN(C)C1=O 1032771431 RXJSKWCZNXBWAB-RYUDHWBXSA-N 304.350 -0.811 30 20 DBED C=CCCN1CC[C@H](N(C)C(=O)CN2CCN(C)C(=O)C2)C1 1033205438 GEAAURLILPOTEZ-AWEZNQCLSA-N 308.426 -0.131 30 20 DBED C=CCn1cc(C(=O)N(C)[C@@H]2CCN([C@H](C)C(N)=O)C2)nn1 1033484989 UXLGBGTYTJZKTB-GHMZBOCLSA-N 306.370 -0.516 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)[C@H]2CCCS(=O)(=O)C2)C1 1035530979 PEXDSFFCOVPFQE-STQMWFEESA-N 314.407 -0.739 30 20 DBED C#CCCCC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2CCN(C)C2)C1 1039756603 HUKZCBYDDSWZHV-RHSMWYFYSA-N 321.421 -0.179 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)CCc2cn[nH]c2)C1 1039829509 ZJJCIIBHTMYUNW-XHDPSFHLSA-N 319.365 -0.418 30 20 DBED C#CCN1CCC[C@]2(CCN(C(=O)CN3CCNC(=O)C3)C2)C1 1040326981 CPHJBRXSYJXINO-KRWDZBQOSA-N 318.421 -0.634 30 20 DBED N#CCN1CCC[C@@]2(CCN(C(=O)CN3CC(=O)NC3=O)C2)C1 1040454040 RZCQQELYZDQDJZ-OAHLLOKOSA-N 319.365 -0.624 30 20 DBED C[C@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)Cc2ccn(C)n2)C1 1040759491 BMVDWCWYMZFQAN-ABAIWWIYSA-N 319.365 -0.798 30 20 DBED C#CCCCC(=O)N1CC[C@@](O)(CNC(=O)Cc2nc[nH]n2)C1 1040968956 RBSSWAHDLNNLEW-OAHLLOKOSA-N 319.365 -0.770 30 20 DBED CN1CC[C@H](C(=O)N[C@@H]2CN(c3ccncc3C#N)C[C@H]2O)C1 1041049511 MPGPTGAXNJJRCH-NJZAAPMLSA-N 315.377 -0.429 30 20 DBED N#Cc1cnc(NC[C@H]2CN(C(=O)C(N)=O)CCCO2)c(F)c1 1041523049 AMEZJDGJMGHETK-JTQLQIEISA-N 321.312 -0.393 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)[C@H]2C[C@H]2OCC)C1 1041685523 IPUAXXOSFIEQRW-NWDGAFQWSA-N 312.366 -0.697 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)c2cnc(OC)nc2)C1 1041960345 NRDDNGKXELSWNZ-UHFFFAOYSA-N 320.349 -0.246 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)C2CC(C)C2)C1 1042468644 LQGSAZQVULKHKW-UHFFFAOYSA-N 308.378 -0.238 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)CC2OCCCO2)C1 1042762924 IDYUPVOISONHDJ-UHFFFAOYSA-N 324.377 -0.512 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(O)CN(C(=O)CCCF)C1 1042814509 LUHUWFXQNIJKSV-ZDUSSCGKSA-N 302.346 -0.247 30 20 DBED COC[C@H](C)CC(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042960626 MHNPQNSNRCLGNO-GFCCVEGCSA-N 308.378 -0.238 30 20 DBED C=C(C)CCC(=O)NCC1(O)CN(C(=O)[C@@H](C)NC(C)=O)C1 1043312914 ZHZYGJNNDYRJPU-LLVKDONJSA-N 311.382 -0.443 30 20 DBED C#CCC1(C(=O)NCC2(O)CN(C(=O)C3CC3)C2)CCOCC1 1043353919 WIOUTQUULKIMHI-UHFFFAOYSA-N 320.389 -0.094 30 20 DBED C=C(Cl)CN1CC(N(C)C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 1043859154 SJOVLYMMAPDXMI-WDEREUQCSA-N 301.774 -0.086 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)[C@@]2(C)CNC(=O)C2)C1 1043943808 HZDKYLQVZVDJJX-OAHLLOKOSA-N 323.393 -0.586 30 20 DBED C=CCCCC(=O)N1CC(O)(CNC(=O)[C@H]2CCNC2=O)C1 1044442679 IRPOEBCWQHVAAD-NSHDSACASA-N 309.366 -0.832 30 20 DBED C=CCn1cc(C(=O)NC2(C)CCN([C@@H](C)C(N)=O)CC2)nn1 1045580905 WESBYJXBWORIJU-NSHDSACASA-N 320.397 -0.078 30 20 DBED CC#CCN1CCC(F)(F)[C@H](CNC(=O)c2nnn(C)n2)C1 1046964392 RFBHPSGPRSCVLP-SNVBAGLBSA-N 312.324 -0.080 30 20 DBED C=C(C)CCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cn2cnnn2)C1 1048214427 OFKWYDDDJPJYBZ-RYUDHWBXSA-N 322.369 -0.941 30 20 DBED C=CC(C)(C)CC(=O)N(C)[C@H]1CN(C(=O)CC(N)=O)C[C@@H]1O 1048897787 RLNVBNUMJHIQBF-QWRGUYRKSA-N 311.382 -0.506 30 20 DBED C#CCN1C[C@H]2CN(C(=O)[C@]34C[C@H]5C[C@@H](C(=O)N3)[C@H]4C5)C[C@H]2C1 1048905125 WGCPUVXJHFUOSR-QYUBIPTGSA-N 313.401 -0.076 30 20 DBED C=CCOCC(=O)N[C@@H](C)[C@H]1CCN(C(=O)Cn2nccn2)C1 1050837675 YVOOFPVELDNDPS-STQMWFEESA-N 321.381 -0.166 30 20 DBED C[C@@]1(C(=O)N2CC[C@H](N3CCN(CC#N)CC3)C2)CCNC1=O 1052082722 VUTCXPYKFMOKGB-XJKSGUPXSA-N 319.409 -0.745 30 20 DBED C=CCCn1cc(C(=O)N[C@H]2COC3(C2)CN(CC#N)C3)nn1 1053951313 UWDWFSSILXCEHG-GFCCVEGCSA-N 316.365 -0.049 30 20 DBED C#CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)c1ccncc1 1056796805 HAGVETGBPWPMAP-ZDUSSCGKSA-N 319.361 -0.329 30 20 DBED C=CCCOCC(=O)NCCN(CCO)C(=O)COCC 1056872446 GPHJAOOJOIDZPX-UHFFFAOYSA-N 302.371 -0.447 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)c1ccc(C#N)[nH]1 1057193222 BJYMCQHSVFBHJO-UHFFFAOYSA-N 320.349 -0.360 30 20 DBED C=C(C)C(C)(C)C(=O)NCCN(CCO)C(=O)c1cnnn1C 1057474080 ANRGFCKPRQHWIH-UHFFFAOYSA-N 323.397 -0.032 30 20 DBED C#CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)[C@H](F)CC 1057587826 MKAJQQZDLMJMLB-NWDGAFQWSA-N 302.346 -0.290 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)c1cn(CC=C)nn1 1057626540 SKWRCHIQZINTIG-UHFFFAOYSA-N 321.381 -0.019 30 20 DBED N#Cc1nc(=N[C@@H]2CCCN(C(=O)Cn3cncn3)C2)cc[nH]1 1057645741 OVNRZZHBZQMPOG-LLVKDONJSA-N 312.337 -0.535 30 20 DBED C#CCO[C@H](C)C(=O)NCCN(CCO)C(=O)c1[nH]cnc1C 1058064809 NVWLXWMWURXKGL-GFCCVEGCSA-N 322.365 -0.693 30 20 DBED CN1CC[C@@H](C(=O)N[C@@H]2CCN(c3ccc(C#N)nn3)C2)C1=O 1058514588 LRBYNAHOPZBKBX-NEPJUHHUSA-N 314.349 -0.479 30 20 DBED CC(C)C#CC(=O)N1CC[C@@H](CCNC(=O)c2nnn(C)n2)C1 1059614242 LRLZMDWKPXIVAK-GFCCVEGCSA-N 318.381 -0.162 30 20 DBED N#Cc1nc(=NC[C@@H]2CCN(C(=O)c3cc[n+]([O-])cc3)C2)cc[nH]1 1060787020 WXJCFBRYDBLCPY-LBPRGKRZSA-N 324.344 -0.022 30 20 DBED CCOCC(=O)NC[C@@H]1COCCN1C(=O)c1c[nH]c(C#N)c1 1061237727 VJYNNEHRSCZAET-CYBMUJFWSA-N 320.349 -0.120 30 20 DBED N#Cc1nccnc1N1CCC[C@H]1CNC(=O)[C@H]1COC(=O)N1 1061353274 GGZBABSFFQNALY-GXSJLCMTSA-N 316.321 -0.458 30 20 DBED CO[C@@H](C)C(=O)NC[C@H]1COCCN1C(=O)c1cc(C#N)c[nH]1 1061368319 ZLRSAAXTQOSNHY-JQWIXIFHSA-N 320.349 -0.122 30 20 DBED C=CCOCC(=O)NC[C@@H]1COCCN1C(=O)c1ncc[nH]1 1061423743 MYZCBZUAGDDFJZ-LLVKDONJSA-N 308.338 -0.431 30 20 DBED C[C@@H](C#N)C(=O)NCc1cccc2c1CCN(C(=O)C(N)=O)C2 1061947054 BUENYVFCIDUNLO-JTQLQIEISA-N 314.345 -0.168 30 20 DBED C=CCCO[C@@H](C)C(=O)NC1(CNC(=O)CC(N)=O)CCC1 1062733165 RVWLMKNQEJYLJE-NSHDSACASA-N 311.382 -0.002 30 20 DBED C=CCOCC(=O)NC1(CNC(=O)[C@H]2CNC(=O)N2)CCC1 1064271409 VCEJRLFYQNYIEV-SNVBAGLBSA-N 310.354 -0.975 30 20 DBED Cc1cc(C#N)nc(NC[C@@]2(C)CCN(C(=O)C(N)=O)C2)n1 1065479226 DGWOLJGIKHXAQY-CQSZACIVSA-N 302.338 -0.208 30 20 DBED C[C@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1Nc1cncc(C#N)n1 1067176586 KOLYSTKBZLPLJT-WCBMZHEXSA-N 313.325 -0.556 30 20 DBED C#CCOCCC(=O)N(C)CCCN(C)C(=O)c1cnn(C)n1 1067425510 SEODFQASNNYELI-UHFFFAOYSA-N 321.381 -0.225 30 20 DBED C#CCNC(=O)CC(=O)N1CC2(CC[C@H](CNC(C)=O)O2)C1 1068472645 RSONVZWQYOJXBP-GFCCVEGCSA-N 307.350 -0.978 30 20 DBED C[C@H]1C[C@@H](Nc2ccc(C#N)nn2)CN1C(=O)Cn1ncnn1 1069151598 HNIFVNCAGJXSOC-GXSJLCMTSA-N 313.325 -0.564 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H]1CCC[C@@H]2CN(C(=O)C(N)=O)C[C@@H]21 1069318894 MKIKGLWGXWAQMW-SCDSUCTJSA-N 313.361 -0.101 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2cn(CC)nn2)C1 1070065896 JFTKUSDCZBESHP-YPMHNXCESA-N 316.369 -0.269 30 20 DBED C#CCCCCC(=O)NC1(CNC(=O)C(N)=O)CCOCC1 1070081699 IUZZOFJRTYTAFU-UHFFFAOYSA-N 309.366 -0.553 30 20 DBED C#CCCN1CCNC(=O)CCN(C(=O)c2ccncn2)CC1 1071009452 SGDLAVSISGXDNO-UHFFFAOYSA-N 315.377 -0.236 30 20 DBED C#CCCCCC(=O)N1C[C@H](C)[C@H](NC(=O)Cn2cnnn2)C1 1071923001 ZYSYHIBIBLQFCP-QWHCGFSZSA-N 318.381 -0.170 30 20 DBED C#CCCN1C[C@H](NC(=O)CN2CCC(=O)NC2=O)CC[C@@H]1C 1071969937 CNTMWMNMGSBJQV-QWHCGFSZSA-N 320.393 -0.079 30 20 DBED CC#CCN1CCCO[C@@H](CNC(=O)[C@@H]2CC(=O)N(C)C2)C1 1073630066 MFGSHMQLVUQLGF-KGLIPLIRSA-N 307.394 -0.305 30 20 DBED C[C@H]1C[C@@H](NC(=O)C#CC2CC2)CCN1C(=O)c1nnn(C)n1 1074984126 NWPVHKSYIKJZSH-JQWIXIFHSA-N 316.365 -0.267 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)c1cn(C)cn1 1076218885 KDLOKWDTIYSDLJ-NSHDSACASA-N 319.365 -0.816 30 20 DBED C=CCCN1C[C@@H]2CCN(C(=O)Cn3c(O)nnc3O)[C@@H]2C1 1076500486 AKDUMCOLURLWIL-WDEREUQCSA-N 307.354 -0.202 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCNC(=O)C2)C1 1076873216 BVMSWTCIEZKLND-GMTAPVOTSA-N 301.774 -0.574 30 20 DBED Cc1nn([C@H]2CCOC2)cc1C(=O)N[C@@H]1CN(CC#N)C[C@H]1O 1076996584 DWLGZELMOXJQNN-IACUBPJLSA-N 319.365 -0.549 30 20 DBED CCN(C(=O)C#CC1CC1)C1CN(C(=O)[C@H](C)NC(C)=O)C1 1079737073 VQTQIJUGOWTWQZ-NSHDSACASA-N 305.378 -0.016 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)c2cnn(C)c2)C[C@H]1O 1081461395 UCFKCMJPMMCWCW-GXTWGEPZSA-N 318.377 -0.371 30 20 DBED O=C(C#CC1CC1)NC[C@H]1CN(C(=O)c2cnccn2)C[C@@H]1O 1081469490 XMUHLHFRJCAZSA-JSGCOSHPSA-N 314.345 -0.561 30 20 DBED C=C1CC(C)(C(=O)NC[C@@H]2CN(C(=O)CC(N)=O)C[C@H]2O)C1 1081752349 ICNMRADRNVKACG-GHMZBOCLSA-N 309.366 -0.846 30 20 DBED C#Cc1ccc(C(=O)N2C[C@@H](N[C@H](C)C(N)=O)[C@H](C)C2)cn1 1082870743 JOZWOVKIFSASOF-JTNHKYCSSA-N 300.362 -0.013 30 20 DBED C=CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)C1CS(=O)(=O)C1 1083092297 CRFUUMIPEWSKHN-NWDGAFQWSA-N 300.380 -0.871 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CN3CC4CC3(CO2)C4)C1 1083654882 KTTBKEVOHIXPFN-CLPSQLOGSA-N 319.405 -0.966 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2ccc(N3CCCC3)nn2)C1 1083937492 APSHPVFMLDNSHO-KGLIPLIRSA-N 315.377 -0.515 30 20 DBED C#CCCN1CC[C@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)[C@H]1C 1089021050 RRUKQRLRCNNXGE-NEPJUHHUSA-N 320.393 -0.081 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2cc(CN(C)C)on2)[C@@H](O)C1 1090379213 WCVRNHSDPTZEKW-OCCSQVGLSA-N 306.366 -0.466 30 20 DBED C[C@@H]1CN(C(=O)CCCC(N)=O)C[C@H]1N=c1cc[nH]c(C#N)n1 1090984483 QSGDNGYSSQCSLJ-GHMZBOCLSA-N 316.365 -0.315 30 20 DBED C=CCCN1C[C@@H]2CN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C[C@]2(C)C1 1092055608 OWOCSPNQUFTQAN-WQGACYEGSA-N 320.393 -0.059 30 20 DBED CN(C)CCC(=O)N[C@@H]1CCN(c2cnc(C#N)cn2)C[C@H]1O 1092172791 HXDGGWWHKXGHSN-CHWSQXEVSA-N 318.381 -0.644 30 20 DBED CS(=O)(=O)CC(=O)NCC1CC(Nc2cncc(C#N)n2)C1 1092212629 ZGAPUJDRWRNCDZ-UHFFFAOYSA-N 323.378 -0.300 30 20 DBED CC(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccnc(C#N)n1 1092797647 WLZNEMGCFZXESP-WOPDTQHZSA-N 314.349 -0.290 30 20 DBED CNC(=O)CC(=O)NC1[C@H]2CN(c3ccc(C#N)nn3)C[C@H]12 1093242144 POMMOSZFBYHART-UWVGGRQHSA-N 300.322 -0.965 30 20 DBED N#Cc1ccc(NCCNC(=O)[C@@H]2CC(=O)NC(=O)N2)cn1 1094168583 KXNXUWQTMPURJT-JTQLQIEISA-N 302.294 -0.921 30 20 DBED N#Cc1ccc(C(=O)NCCCNc2ccc3nnnn3n2)[nH]1 1094369606 YQTJYJMYPLUFPL-UHFFFAOYSA-N 311.309 -0.049 30 20 DBED CCc1nc(C#N)cc(NCCCNC(=O)[C@H]2CNC(=O)N2)n1 1094752102 WQDONGKQFKQODM-SNVBAGLBSA-N 317.353 -0.490 30 20 DBED CC(=O)NCC(=O)N1CCC[C@H](N=c2cc[nH]c(C#N)n2)C1 1095272821 IKDQBJCVCAKKEH-NSHDSACASA-N 302.338 -0.691 30 20 DBED CN(CCCNC(=O)c1cnn(C)c1N)c1nccnc1C#N 1095540355 OMCPBJLEMSYKTD-UHFFFAOYSA-N 314.353 -0.080 30 20 DBED C[C@@H](CNC(=O)[C@H](C)n1cncn1)N=c1cc[nH]c(C#N)n1 1097785811 UFPFXWAVPWKAEI-UWVGGRQHSA-N 300.326 -0.461 30 20 DBED C[C@H](CNC(=O)c1ccc(=O)n(C)n1)N=c1cc[nH]cc1C#N 1097851050 KTPFEPJEPIFUFQ-SNVBAGLBSA-N 312.333 -0.301 30 20 DBED Cc1cc(C#N)nc(N[C@H](C)CNC(=O)Cc2nc[nH]n2)n1 1098056211 HSPOVJZKGSVONB-SECBINFHSA-N 300.326 -0.066 30 20 DBED C=CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cc(=O)n2[nH]cnc2n1 1098212599 AFSGJZSWFSCVFX-FOGDFJRCSA-N 314.349 -0.061 30 20 DBED C[C@H](CNC(=O)[C@H]1CN(C)C(=O)N1)Nc1cnc(C#N)cn1 1098213252 DYWLJVYFROJNTL-PSASIEDQSA-N 303.326 -0.712 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CCC(=O)NC1)Nc1cnc(C#N)cn1 1098396920 CZRFVBHVCSDEEL-VHSXEESVSA-N 302.338 -0.209 30 20 DBED CC#CCN(CCO)C1CCN(C(=O)c2nnn(C)n2)CC1 1098454611 MNHRRYXAERRMPH-UHFFFAOYSA-N 306.370 -0.868 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC[C@H](n2cc(CNCCO)nn2)C1 1098663821 JSYJWDIQKMBDLI-DZGCQCFKSA-N 323.397 -0.540 30 20 DBED C#CCCCC(=O)N[C@@H]1CCN(CCn2cncn2)C[C@H]1O 1099803931 FSGFJDXCZPYIQY-ZIAGYGMSSA-N 305.382 -0.367 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2nn(C)cc2C)[C@@H](O)C1 1099813782 UPNUCXPCOOTASS-KBPBESRZSA-N 320.393 -0.457 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)c2cocc2C)[C@H](O)C1 1099950370 ZVANKFGUBNKUCX-UONOGXRCSA-N 319.361 -0.498 30 20 DBED C#CCCN1CC[C@H](NC(=O)C(C)(C)NC(=O)NC)[C@@H](O)C1 1100127152 TYNRZOXUSITRHO-RYUDHWBXSA-N 310.398 -0.731 30 20 DBED C=CCNC(=O)[C@H](C)NC1CC(CNC(=O)CC(=O)NCC)C1 1100264737 AYDIHTZKNNKCGZ-HIFPTAJRSA-N 324.425 -0.312 30 20 DBED N#CCNC(=O)CNC1CC(CNC(=O)[C@@]23COC[C@@H]2C3)C1 1100346022 MGFQYBZBZNJCOH-ZCUCKVSOSA-N 306.366 -0.853 30 20 DBED CC(=O)N[C@@H](C)C(=O)NC[C@H]1CCCN1c1ccc(C#N)nn1 1100776666 NVNGFGHPQTYYNK-GXFFZTMASA-N 316.365 -0.042 30 20 DBED N#Cc1cncc(N(CCNC(=O)[C@H]2C[C@H]2C(N)=O)C2CC2)n1 1101447113 AAZFGDVFDKCPFA-NEPJUHHUSA-N 314.349 -0.445 30 20 DBED CN(CCNc1ccc(C#N)nn1)C(=O)CCn1cnnn1 1101739961 JELWIQMQLOQOFQ-UHFFFAOYSA-N 301.314 -0.705 30 20 DBED CCN1CCOC[C@@H]1C(=O)N(C)CCNc1ccc(C#N)nn1 1101844861 UHGTUGDBWPDEIB-CYBMUJFWSA-N 318.381 -0.061 30 20 DBED CC#CCN1C[C@@H](C)[C@H](CNC(=O)CN(C)C(=O)COC)C1 1102017674 MLUPBVRBJOUCMP-ZIAGYGMSSA-N 309.410 -0.201 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H]1CCN(c2ncnc3c2nnn3C)C1 1102701832 JFKISVGTOJSYRP-UWVGGRQHSA-N 314.353 -0.045 30 20 DBED C=CCN1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCS(=O)(=O)N2)C1 1103730145 DELWCXHPFRELMA-UPJWGTAASA-N 315.439 -0.062 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)CN1CCOCC1 1103914466 JKWJMYMLZBTTBE-GFCCVEGCSA-N 318.381 -0.733 30 20 DBED C[C@@H]1CN(C(=O)CN2CCC(=O)NC2=O)C[C@H]1CCNCC#N 1104878231 DLXZWAIWEFRFCG-VXGBXAGGSA-N 321.381 -0.474 30 20 DBED CC(=O)N(C)CC(=O)NC[C@@H](O)CNc1nc(C)cc(C#N)n1 1105755527 SXXUAOWYBGCABQ-GFCCVEGCSA-N 320.353 -0.976 30 20 DBED CO[C@@H](C(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1)C1CC1 1105834024 VCYPEBJQCVIOEG-ZWNOBZJWSA-N 305.338 -0.916 30 20 DBED N#Cc1nc(=NC[C@@H](O)CNC(=O)CCOCC2CC2)cc[nH]1 1105973366 XRMXVHMJHORQBR-GFCCVEGCSA-N 319.365 -0.524 30 20 DBED Cc1cc(=NC[C@@H](O)CNC(=O)[C@@]23COC[C@@H]2C3)c(C#N)c[nH]1 1106146177 YEOXEOQBULKXEM-ZENOOKHLSA-N 316.361 -0.391 30 20 DBED C[C@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)c1c[nH]c(=O)cn1 1106564624 IJTAOMDTPJAQPK-SECBINFHSA-N 313.321 -0.526 30 20 DBED Cc1ncc(CC(=O)NCc2cn(C3CN(CC#N)C3)nn2)o1 1107179579 MZQHJFNLQCXRFD-UHFFFAOYSA-N 315.337 -0.186 30 20 DBED N#CCN1CC(n2cc(CNC(=O)CCc3ccon3)nn2)C1 1107185056 HNSPCSYMGMLPPT-UHFFFAOYSA-N 315.337 -0.105 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)CNc1nc(C)cc(OC)n1 1107695467 FYTCQWIDAIREDO-LLVKDONJSA-N 319.365 -0.150 30 20 DBED CCN1CCOC[C@@H]1C(=O)N[C@H](C)CNc1cncc(C#N)n1 1107994349 CVDVYIDQAQPYDO-DGCLKSJQSA-N 318.381 -0.014 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)CC2CS(=O)(=O)C2)C1 1108038015 LVNOOACJARHXHF-CQSZACIVSA-N 314.407 -0.739 30 20 DBED C[C@@]1(CNC(=O)CC2CS(=O)(=O)C2)CN(CC#N)CCO1 1108038517 UYFSVVAOUFPIKU-CYBMUJFWSA-N 315.395 -0.848 30 20 DBED Cn1nc(C(=O)NC[C@@]2(C)CN(CC#N)CCO2)ccc1=O 1108382092 ITOCBNBWEFUAPX-AWEZNQCLSA-N 305.338 -0.875 30 20 DBED CC[C@@H](C)C(=O)NCC(=O)N[C@@H](C)CN=c1cc[nH]c(C#N)n1 1108398755 JLWOUUYJUZVGFR-MNOVXSKESA-N 318.381 -0.151 30 20 DBED C[C@@H](CN=c1cc[nH]cc1C#N)NC(=O)C[C@@H]1CCC(=O)N1 1108448640 VYXCXRPIPCJDTO-JQWIXIFHSA-N 301.350 -0.040 30 20 DBED C=CCCN1CC(N2C[C@@H](NC(=O)CCN(C)C)CC2=O)C1 1108569244 CMMZZJOUSPMPLE-ZDUSSCGKSA-N 308.426 -0.085 30 20 DBED N#Cc1nc(=NC[C@@H]2CCCC[C@H]2NC(=O)CC(N)=O)cc[nH]1 1109336078 ITJLCLIFKQWXTN-WDEREUQCSA-N 316.365 -0.268 30 20 DBED N#Cc1ccc(NC2(CNC(=O)C3(C(N)=O)CC3)CC2)nn1 1110323557 VRTWZKMCSWGPQE-UHFFFAOYSA-N 300.322 -0.326 30 20 DBED N#Cc1nccnc1N1CC[C@@](O)(CNC(=O)[C@H]2CCOC2)C1 1111044503 ZFBAYXDSKRCTNJ-XHDPSFHLSA-N 317.349 -0.558 30 20 DBED CO[C@@H](C)C(=O)NC[C@@H]1COCCN1c1ccnc(C#N)n1 1111656697 IEIMPCKOPFJRPR-WDEREUQCSA-N 305.338 -0.295 30 20 DBED C#CCOCCC(=O)N1C[C@@H](NCCO)[C@H](C(F)(F)F)C1 1112101409 LVPOZZAAKJENRA-GHMZBOCLSA-N 308.300 -0.003 30 20 DBED N#Cc1ccc(CN2CCN(C(=O)CNC(N)=O)CC2)s1 1112608938 RRLVZKBNSNHNSR-UHFFFAOYSA-N 307.379 -0.068 30 20 DBED C=CCNC(=O)NC(=O)CN1CCN(C(=O)[C@H](C)C#N)CC1 1112711970 XRLGNSDCCTUAAJ-LLVKDONJSA-N 307.354 -0.698 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)c2cnn(C)c2N)CC1 1112783742 ARMDEHHZBUVLCH-LLVKDONJSA-N 320.397 -0.549 30 20 DBED C[C@H](NC(=O)c1nnn(C)n1)[C@@H](C)Nc1nccnc1C#N 1113258298 CZGJKMYVAVXJKV-SFYZADRCSA-N 301.314 -0.509 30 20 DBED C[C@H](CNC(=O)c1cnn(C)n1)N(C)c1ccc(C#N)nn1 1113652544 ZTIYQUCDLVDQSD-SECBINFHSA-N 300.326 -0.269 30 20 DBED C=CCCOCC(=O)N1CCN(CCN2CCNC2=O)CC1 1113709177 KQVKVMUMMXPSQF-UHFFFAOYSA-N 310.398 -0.252 30 20 DBED C[C@H](CNC(=O)[C@@H]1CCC(=O)N1C)N(C)c1cncc(C#N)n1 1113812959 MKLIQXLFNNNUFQ-PWSUYJOCSA-N 316.365 -0.090 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)CCn3cccn3)[C@@H]2C1 1113875709 DURWEMAJVWJDGK-ZIAGYGMSSA-N 302.378 -0.031 30 20 DBED CCN(C)C(=O)CN1C[C@H]2C(NC(=O)CSCC#N)[C@@H]2C1 1113891363 QMEXRRRWBBZBJV-GHMZBOCLSA-N 310.423 -0.232 30 20 DBED C=CCOCCN1C[C@H]2C(NC(=O)c3cnn(C)c3N)[C@@H]2C1 1114157276 BKFONZAOSCOQJU-VXGBXAGGSA-N 305.382 -0.135 30 20 DBED CCNC(=O)NC(=O)CN1C[C@H]2[C@H](NC(=O)C#CC3CC3)[C@H]2C1 1114252909 DXOXVKHGDIDXNI-JYAVWHMHSA-N 318.377 -0.708 30 20 DBED C#CCOCCC(=O)NC1[C@H]2CN(Cc3cnn(CC)n3)C[C@H]12 1114266654 UNGVFYZLDJEKOG-KBPBESRZSA-N 317.393 -0.116 30 20 DBED Cc1occc(=O)c1OCC(=O)N[C@H]1[C@@H]2CN(CC#N)C[C@@H]21 1114554039 YIIBAWFIFQXLAW-YABSGUDNSA-N 303.318 -0.103 30 20 DBED C=C(C)CCN1C[C@H]2C(NC(=O)CNS(=O)(=O)NC)[C@@H]2C1 1114624383 QSCKXEZGMIYIRH-GHMZBOCLSA-N 316.427 -0.947 30 20 DBED C=CCC[C@H](C)N1C[C@@H]2C(NC(=O)CN3CCNC(=O)C3)[C@H]2C1 1114662447 KNHSGDXVABXBCK-IHRRRGAJSA-N 320.437 -0.181 30 20 DBED C=CCCN1C[C@H]2[C@H](NC(=O)COCc3nncn3C)[C@H]2C1 1115056172 VYTMNHCOKNIUCG-JYAVWHMHSA-N 305.382 -0.046 30 20 DBED Cc1nnc([C@H](C)NC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)s1 1118157647 IBWYZSPVZMKETB-SDBXPKJASA-N 323.378 -0.099 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@H](CO)Nc1nccnc1C#N 1121404524 GPGJKLZWUKOFOI-QMTHXVAHSA-N 305.338 -0.436 30 20 DBED N#Cc1nccnc1N[C@H](CO)CNC(=O)CN1CCCC1 1121580576 KEVVDDFGWGSGGZ-NSHDSACASA-N 304.354 -0.667 30 20 DBED Cc1nccc(C(=O)NC[C@H](CO)Nc2ccc(C#N)nn2)n1 1121659800 STBSTVCAANUZJV-LLVKDONJSA-N 313.321 -0.351 30 20 DBED C=CCn1c(-c2ncnn2C)nnc1N1CCN(C)C(=O)C1 1121723121 SDIQELYFHQXCJV-UHFFFAOYSA-N 302.342 -0.462 30 20 DBED CC[C@@H](C(=O)NC[C@H](CO)Nc1cncc(C#N)n1)N(C)C 1121811841 HMQVVZFTZBHZGY-NEPJUHHUSA-N 306.370 -0.423 30 20 DBED Cc1n[nH]cc1C(=O)NC[C@@H](CO)Nc1nccnc1C#N 1122294550 VGTVETJVGWUJBY-VIFPVBQESA-N 301.310 -0.417 30 20 DBED N#C[C@H](C(=O)[C@@H]1CCSC1)C(=O)N1CCS(=O)(=O)CC1 1122500171 YWBBFRNBXLBXCY-NXEZZACHSA-N 316.404 -0.295 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)CC[C@@H](C)OC 1126043457 ORLUCOFSPTWRIZ-LLVKDONJSA-N 314.386 -0.481 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CCc2nnc(CNCCCO)n2CC1 1127963978 CSTPWSMJYPUKNK-RYUDHWBXSA-N 320.397 -0.269 30 20 DBED C=C[C@@](C)(O)CC(=O)NCc1cnn2c1CN(CC(N)=O)CC2 1128327171 JEBVIRWNXRFKDH-OAHLLOKOSA-N 321.381 -0.873 30 20 DBED C=CCNC(=O)CNCCNC(=O)C[C@H]1CCOC[C@H]1OC 1129207635 JRNHTHURPQOADY-CHWSQXEVSA-N 313.398 -0.564 30 20 DBED CO[C@@H](C)C(=O)NCc1nc([C@@H]2COCCN2CC#N)n[nH]1 1130835035 JDSWRJMNBSWFQL-UWVGGRQHSA-N 308.342 -0.647 30 20 DBED C=C(Cl)CNCCNC(=O)c1ccc(=O)n(CCOC)n1 1131050533 LWMXSPOMEDODOD-UHFFFAOYSA-N 314.773 -0.038 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1cnc(Cl)n1C 1131335057 YYOJHQYMGICXJE-VIFPVBQESA-N 311.773 -0.469 30 20 DBED COCC#CCNCCNC(=O)CNC(=O)c1cccnc1 1134150402 GNBFLVUUDOEFPZ-UHFFFAOYSA-N 304.350 -0.833 30 20 DBED C=CCn1cc(C(=O)NCCN[C@@H](C)C(=O)NC2CC2)nn1 1134973082 CLMYBAPLNCKUAK-JTQLQIEISA-N 306.370 -0.549 30 20 DBED C[C@@H](C[C@H](C)NC(=O)c1cc(=O)n2[nH]cnc2n1)NCC#N 1135924635 UMKLVIHNYHJQKB-IUCAKERBSA-N 303.326 -0.572 30 20 DBED CC#CCN[C@@H](C)C[C@H](C)NC(=O)Cn1nc(C)n(C)c1=O 1136054205 ICAMXMVQPPNYLL-RYUDHWBXSA-N 307.398 -0.214 30 20 DBED C[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2CN(CC#N)CCCO2)C1 1150417410 KLMJEDVAGAULKY-ZIAGYGMSSA-N 322.409 -0.024 30 20 DBED C=CCN1CC[C@@H](N(CC)[C@H](C)CNC(=O)CNC(C)=O)C1=O 1151591120 BHBJWMTZNIRCPU-TZMCWYRMSA-N 324.425 -0.264 30 20 DBED C=CCCOCC(=O)NCCNCCN1CCCS1(=O)=O 1153085704 IEFXRGFKRPELHB-UHFFFAOYSA-N 319.427 -0.680 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@H]1C[C@@H]2CCCCN2C1 1158039269 RWSTZUOQJPCCNY-GJZGRUSLSA-N 320.437 -0.294 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)CCOCC(F)F 1158163405 ORLNFUBGGDJCNS-NSHDSACASA-N 319.352 -0.108 30 20 DBED C=CCNC(=O)CNCC1(CCNC(=O)[C@H](C)NC(C)=O)CC1 1163285195 BNDFPJYXINNMMH-LBPRGKRZSA-N 324.425 -0.311 30 20 DBED C=CCNCC1(CCNC(=O)CCn2cc[nH]c(=O)c2=O)CC1 1167470777 BBXBTWYFBLOXPL-UHFFFAOYSA-N 320.393 -0.011 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@H]1CCO[C@H]1C(=C)C 1168100633 FIKHVSIJOQDETF-ZFWWWQNUSA-N 307.394 -0.187 30 20 DBED CCc1cnc(O)c(C(=O)NCCCNCC(=O)NCC#N)c1 1169808928 XNVDMDROZRPYGM-UHFFFAOYSA-N 319.365 -0.301 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)COCCCOC 1170530241 RIXGURFKILZTGK-CYBMUJFWSA-N 315.414 -0.174 30 20 DBED C=CCO[C@H](C)C(=O)NCCCNCCN1C(=O)CCC1=O 1177277475 SFNDWZRMGGIOLL-GFCCVEGCSA-N 311.382 -0.178 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@H](C)NC(=O)C1CCC1 1177486647 BFIAMOZXOWBRFW-LBPRGKRZSA-N 322.409 -0.864 30 20 DBED C#CCNC(=O)CNCCCCCCNC(=O)CNC(=O)CC 1178049648 GLLWDPFJEREZOD-UHFFFAOYSA-N 324.425 -0.472 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)CNC(=O)C2CC2)[C@H]1C 1178202249 AFTLLWDQIFKJDK-AAEUAGOBSA-N 322.409 -0.606 30 20 DBED Cc1cn(C)nc1C(=O)N1CC[C@H](NCC(=O)NCC#N)[C@@H]1C 1178662830 BKUSEKCCSAFXHT-RYUDHWBXSA-N 318.381 -0.439 30 20 DBED C=C(C)CN(CC)C(=O)CN[C@@H]1CCN(C(=O)CNC(C)=O)C1 1180707681 PPWZVVRUGJEQIR-CQSZACIVSA-N 324.425 -0.262 30 20 DBED C=CCN1CC[C@H](N[C@@H]2CCN(C(=O)CNC(=O)OC)C2)C1=O 1181294656 IVURDTLKAIQEBT-NEPJUHHUSA-N 324.381 -0.680 30 20 DBED COCC#CCNC[C@@H]1CCN(C(=O)CNC(C)=O)C[C@@H]1C 1183762666 JMYPRPMYBCUBRZ-ZFWWWQNUSA-N 309.410 -0.154 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC[C@H]2CN(Cc3nnn(C)n3)C[C@H]21 1187756196 XRYHVTBVGCCDLU-ZOWXZIJZSA-N 320.397 -0.430 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)CC3(O)CCC3)[C@@H]2C1 1187814270 YGONEFCAPKCGOH-UONOGXRCSA-N 319.405 -0.426 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3cc[nH]c3)[C@@H]2C1 1187985019 YYUAROVMYJOPSU-UONOGXRCSA-N 300.362 -0.090 30 20 DBED CC(C)(C)C#CC(=O)N[C@@H]1CN([C@H]2CCCNC2=O)C[C@H]1O 1192871179 LCBKZHCEEZPAGY-FRRDWIJNSA-N 307.394 -0.524 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)CN(C)CCC)C1 1193620792 BAHHZGLHTGPQAW-CQSZACIVSA-N 308.426 -0.390 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCCN2C)C1 1194119119 OLXXDTCOFIVZHN-QLFBSQMISA-N 309.410 -0.718 30 20 DBED C[C@@H](NC(=O)c1cccs1)C(=O)N[C@@H]1CN(CC#N)C[C@H]1O 1195128815 NSYLTKHSRJAXOR-GMTAPVOTSA-N 322.390 -0.449 30 20 DBED CNC(=O)C1(C(=O)N2CCCN(CC#CCOC)CC2)CC1 1197440660 KIFVIKLWCJQCEJ-UHFFFAOYSA-N 307.394 -0.303 30 20 DBED C=CCNC(=O)[C@@H](C)NC1CCN(C(=O)Cn2nccn2)CC1 1200776500 UCUBFOKDEJSIJT-GFCCVEGCSA-N 320.397 -0.451 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)CCCO1 1201892627 ZXMFDPZFOLQZLO-KGLIPLIRSA-N 323.393 -0.878 30 20 DBED C=CCn1cc(C(=O)N2CCC(NCC(=O)NC)CC2)nn1 1202827099 RSLKUXUAHGSLED-UHFFFAOYSA-N 306.370 -0.596 30 20 DBED C=CCCn1cc(C(=O)N2CCC(NCC(=O)NC)CC2)nn1 1202856198 QJVOSRIJQPJTGP-UHFFFAOYSA-N 320.397 -0.206 30 20 DBED C#CCCN[C@H]1C[C@@H](NC(=O)Cn2c(O)nnc2O)C12CCC2 1203661803 WEGOBEKUKMIRSO-WDEREUQCSA-N 319.365 -0.270 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(CCN2CCNC2=O)C[C@H]1C 1206916203 ZAHWZKMNYBHKBL-XJKCOSOUSA-N 324.425 -0.225 30 20 DBED C#CCCN1C[C@@H](NC(=O)[C@H](CCC)S(N)(=O)=O)[C@H](C)C1 1208104511 CAWMQOWCLRGBNG-UPJWGTAASA-N 315.439 -0.097 30 20 DBED COC[C@H](C)CC(=O)N1CCC[C@@H](NCC(=O)NCC#N)C1 1210402575 KGGHIFRZQCEBQU-CHWSQXEVSA-N 310.398 -0.121 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)[C@H](C)OCC)[C@H](OC)C1 1211914580 NPINGAKJVVHPMX-YNEHKIRRSA-N 313.398 -0.471 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(Cc2cn(C)nn2)C[C@H]1OC 1212032317 VJFSALSIHUHARD-CHWSQXEVSA-N 309.370 -0.667 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)CCCn1ccccc1=O 1213266645 CPRCWFJKGBWKGS-ZIAGYGMSSA-N 318.377 -0.033 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2cnsn2)C[C@H]1C 1214221154 NCAOGJCKOOIFNE-JFGNBEQYSA-N 321.406 -0.274 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CC(=O)NCC)C[C@H]1C 1214484013 VRQGOBQYINSMJE-JHJVBQTASA-N 324.425 -0.360 30 20 DBED COCC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CCCOC1 1217488409 WQANZBWBMVAQSW-OWCLPIDISA-N 322.405 -0.026 30 20 DBED C=CCCC(=O)N[C@@H]1CN(C[C@H](O)Cn2cccn2)C[C@@H]1O 1219325766 CXRCDAFCOMOZAU-MJBXVCDLSA-N 308.382 -0.629 30 20 DBED CCC[C@@H](C)NC(=O)CN1C[C@H](O)[C@H](NC(=O)C#CC2CC2)C1 1219594550 QCOBJRFILZFLKA-YUELXQCFSA-N 321.421 -0.134 30 20 DBED C=CCCCN1C[C@H](O)[C@H](NC(=O)C[C@@H]2CCN(C)C2=O)C1 1219851335 LRCSBWQAEPLUIQ-MJBXVCDLSA-N 309.410 -0.018 30 20 DBED C=CCCCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCCN(C(N)=O)C2)C1 1219967184 KNTAGOJSWNETCL-MCIONIFRSA-N 324.425 -0.095 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)c2cn(C)nn2)CC1 1223052547 XGPHLSNJHCIPAL-UHFFFAOYSA-N 318.381 -0.994 30 20 DBED C#CCN1CCC(CNC(=O)CCN2C(=O)CCC2=O)CC1 1223764475 RCIWCCYAYVFWDJ-UHFFFAOYSA-N 305.378 -0.013 30 20 DBED C=C(C)CN1CCC(CNC(=O)CN2CC(=O)NC2=O)CC1 1224871966 FIVZDUAWXMRFFK-UHFFFAOYSA-N 308.382 -0.058 30 20 DBED CCS(=O)(=O)NCCN1CCC(NC(=O)[C@@H](C)C#N)CC1 1226639956 JDVKFUKXBHPRQK-NSHDSACASA-N 316.427 -0.334 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@@H]1CN(C)C(=O)Cc1cc[nH]n1 1231407959 REOQHUUNIRCMNE-TZMCWYRMSA-N 317.393 -0.377 30 20 DBED N#CCCCCNC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 1252301297 GXLQPJJRGCPYAZ-AAXDQBDMSA-N 305.334 -0.041 30 20 DBED Cn1ccnc1[C@H]1CCCN(C(=O)NCC(=O)NCC#N)C1 1261100641 WNGXSAOQKHUROG-NSHDSACASA-N 304.354 -0.051 30 20 DBED C=CCn1cc(CNC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)nn1 1261439902 ZABUPJJOPCVYHX-LLVKDONJSA-N 313.383 -0.207 30 20 DBED Cc1ccc(C#N)cc1NC(=O)C(=O)NN1CC(=O)N(C)C1=O 1320923365 OFIKALCQWKHJQV-UHFFFAOYSA-N 315.289 -0.270 30 20 DBED C[C@@H](OC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)NC1(C#N)CCC1 1321741206 KGNHYAUXBBUSKN-NXEZZACHSA-N 314.363 -0.085 30 20 DBED CN(C)C[C@@H](O)CNC(=O)C(=O)Nc1cccc(OCC#N)c1 1322989879 GEYXYYMHANMOSV-LBPRGKRZSA-N 320.349 -0.434 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)NC[C@H]1COC(C)(C)O1 1328095033 BXQHVDUFHPUCRE-LBPRGKRZSA-N 312.366 -0.248 30 20 DBED C#CCN1CCC[C@@H](NC(=O)NC[C@@H](O)Cn2ccnn2)C1 1330934103 IHCGQCGYMCJRBS-CHWSQXEVSA-N 306.370 -0.964 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CCC[C@@H]3COC[C@@H]32)nn1 1332044142 NQBPNIMCJPXAAH-YPMHNXCESA-N 319.365 -0.282 30 20 DBED CNC(=O)CCCNC(=O)C(=O)NCc1cc(C#N)ccc1F 1332565164 QFSXMQHBKPQSJC-UHFFFAOYSA-N 320.324 -0.044 30 20 DBED C=CCOCCn1nnnc1N1CCN(CCO)C(C)(C)C1 1335514047 LDKGLILQIZKGPX-UHFFFAOYSA-N 310.402 -0.231 30 20 DBED C=CCNC(=O)Cn1nnnc1N1CCCN(C(C)=O)CC1 1337172659 GOJSEFFUOKHMNL-UHFFFAOYSA-N 307.358 -0.966 30 20 DBED C=CCn1c([C@H](O)C2CC2)nnc1N1CCO[C@H](C(=O)NC)C1 1339451040 VTDIMBZNDBCCAP-NWDGAFQWSA-N 321.381 -0.141 30 20 DBED C=CCN(c1nnnn1CCOCC)[C@H]1CCS(=O)(=O)C1 1340313946 LWWOGQUMRVWASN-NSHDSACASA-N 315.399 -0.111 30 20 DBED C=CCS(=O)(=O)CCNC(=O)c1cccn2c(O)nnc12 1342194589 VMKINBPMYDSIFG-UHFFFAOYSA-N 310.335 -0.235 30 20 DBED CCC(=O)N1CC[C@@H](NC(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)C1 1345700953 WJHOKKNHJNIBDC-QJPTWQEYSA-N 306.366 -0.078 30 20 DBED C#CCN1CCN(c2nnc(C(N)=O)n2C[C@H]2CCOC2)CC1 1346609609 UQCQCRVBZJSVRG-GFCCVEGCSA-N 318.381 -0.831 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N[C@@H]1CCN(C(=O)CC)C1 1349334119 GXEWCLPVVGNZNU-CHWSQXEVSA-N 323.393 -0.342 30 20 DBED C=CCn1c(C[C@H](C)O)nnc1N1CCC(CO)(CO)CC1 1355961243 WHLFZEVMOXLNFZ-LBPRGKRZSA-N 310.398 -0.041 30 20 DBED N#Cc1cn(CC(=O)NC2[C@H]3[C@H]4CC[C@@H](C4)[C@H]23)c(=O)nc1O 1362193277 QTUCOPHYKAQDBB-OSTYVCCYSA-N 300.318 -0.019 30 20 DBED CC[C@@]1(C)COCCN1C(=O)Cn1cc(C#N)c(O)nc1=O 1362286811 QRPSZWXZGBAXSI-AWEZNQCLSA-N 306.322 -0.152 30 20 DBED N#CCc1ccccc1S(=O)(=O)NC[C@H]1CC(C(N)=O)=NO1 1363883703 SMHGZOHRHQFCLI-SNVBAGLBSA-N 322.346 -0.339 30 20 DBED CCN(CCNC(=O)[C@@H](C)C#N)Cc1nc(CC(=O)NC)no1 1366602660 HOMIYCBJAUJZKW-JTQLQIEISA-N 322.369 -0.544 30 20 DBED C[C@H](C#N)C(=O)N1CC([C@@H](C)NC(=O)CN(C)C(=O)C2CC2)C1 1370132284 TWZIQBQRNPGQNJ-GHMZBOCLSA-N 320.393 -0.022 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](C)CN(C)C(=O)c1cc(=O)n(C)cn1 1370539379 UIDSFOURACVDIN-VHSXEESVSA-N 305.338 -0.483 30 20 DBED CNC(=O)NC(=O)CN[C@@H](C)CN(C)C(=O)c1cc(C#N)c[nH]1 1379097844 XXVMWKXHGSVINL-VIFPVBQESA-N 320.353 -0.608 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1c2c(nn1C)CCC2 1389123247 LPNWEKJKZMURMJ-ZJUUUORDSA-N 319.365 -0.725 30 20 DBED CCN1CCOC[C@H]1C(=O)NCC1(NC(=O)[C@@H](C)C#N)CC1 1393720038 XRIRLAVYEXADET-RYUDHWBXSA-N 308.382 -0.368 30 20 DBED CCOc1nnc(CNC[C@H](O)CNC(=O)[C@H](C)C#N)s1 1401488172 DTQAPTLETXDDKK-BDAKNGLRSA-N 313.383 -0.337 30 20 DBED CC(C)[C@@H](CCN(C)C(=O)Cn1ncnn1)NC(=O)[C@H](C)C#N 1404569951 STERXXYMQFGPLK-VXGBXAGGSA-N 321.385 -0.178 30 20 DBED C=C(Cl)CNC[C@@H](O)CNC(=O)C[C@@H]1CCC(=O)NC1 1406231172 DMPIAJIBUGHCGQ-WDEREUQCSA-N 303.790 -0.278 30 20 DBED COCC(=O)N(C)CC(=O)N1CC[C@@H](N(C)C(=O)[C@H](C)C#N)C1 1407193327 VGUWMEXMRIHVDI-VXGBXAGGSA-N 324.381 -0.690 30 20 DBED CN(CCNC(=O)c1cnnc(O)c1)C(=O)c1cc(C#N)c[nH]1 1408598195 WSZNGQKBTDYXLX-UHFFFAOYSA-N 314.305 -0.116 30 20 DBED C[C@@H](C#N)C(=O)NCC[C@H]1CCCCN1C(=O)Cn1ncnn1 1409804251 CNLXQNVKCFZQBT-NWDGAFQWSA-N 319.369 -0.280 30 20 DBED CNc1ncccc1C(=O)NCCn1cc(C#N)c(O)nc1=O 1413308169 HSXCPAGRWKKGRS-UHFFFAOYSA-N 314.305 -0.313 30 20 DBED Cc1nn(C)cc1[C@H](C)NC(=O)Cn1cc(C#N)c(O)nc1=O 1417632128 HXQKFADJOFMXCO-QMMMGPOBSA-N 316.321 -0.260 30 20 DBED C[C@@H](NC(=O)CCn1cc(C#N)c(O)nc1=O)c1ncnn1C 1417773194 MZSJFXVSPVQUPE-MRVPVSSYSA-N 317.309 -0.783 30 20 DBED CN(CCNC(=O)c1cc(C#N)c[nH]1)C(=O)[C@@H]1CCC(=O)N1C 1429213791 ADPAWLDTJICDDM-LBPRGKRZSA-N 317.349 -0.305 30 20 DBED CCCN(CCNC(=O)c1cc(=O)n(C)cn1)C(=O)[C@@H](C)C#N 1431816963 MAHXRBZVYBSADU-NSHDSACASA-N 319.365 -0.092 30 20 DBED Cn1cncc1CCNC(=O)CCn1cc(C#N)c(O)nc1=O 1433904498 SLGIOTBELPHAFN-UHFFFAOYSA-N 316.321 -0.697 30 20 DBED CO[C@@H]1CS(=O)(=O)C[C@@H]1NS(=O)(=O)CC(C)(C)C#N 1434581854 ANSYUBSAXSLSRG-DTWKUNHWSA-N 310.397 -0.732 30 20 DBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@@H](O)c1cnn(C)c1 1446282693 VWSWIXTVTWMGRU-LBPRGKRZSA-N 317.353 -0.278 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@H](NC(=O)c2ccn(CC)n2)C1 1490563493 NXTXCXKFFFYTHJ-OLZOCXBDSA-N 317.393 -0.155 30 20 DBED CN1CCC[C@H]1C(=O)NC[C@H](O)CNC(=O)c1c[nH]c(C#N)c1 1501463019 KFGPYKHGHFSCLB-OLZOCXBDSA-N 319.365 -0.813 30 20 DBED CCC(=O)N[C@H](C)C(=O)NCCN(C)C(=O)c1cc(C#N)c[nH]1 1528253525 DGCIYZJRNBYOSR-SNVBAGLBSA-N 319.365 -0.011 30 20 DBED C[C@H](C#N)C(=O)N1CCN(CCN(C)C(=O)c2cc[nH]n2)CC1 1530103170 NHRIMKBVHHMYRN-GFCCVEGCSA-N 318.381 -0.214 30 20 DBED Cc1cc(COCC(=O)NC[C@@H](O)CNC(=O)[C@@H](C)C#N)no1 1533286718 HMUODDXYACNSSD-JOYOIKCWSA-N 324.337 -0.747 30 20 DBED Cn1cc([C@@H]2OCCC[C@@H]2C(=O)N[C@H]2CCN(O)C2=O)cn1 1552322576 WAZPMSQZZSRPLE-SRVKXCTJSA-N 308.338 -0.006 30 20 DBED N#Cc1c[nH]c(=O)n(Cc2nnnn2Cc2ccccc2)c1=O 1559428850 ZKFNLLGEWYMLSA-UHFFFAOYSA-N 309.289 -0.509 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC[C@@H](NC(=O)CNC(=O)O)C1 1573311269 LADVOYWZLFREMG-GHMZBOCLSA-N 311.338 -0.601 30 20 DBED Cn1c(=O)[nH]c(N2C[C@@H](C(=O)O)[C@H](C3CC3)C2)c(C#N)c1=O 1574446455 MTLAEDLXULXVPM-VHSXEESVSA-N 304.306 -0.508 30 20 DBED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC23CNC3)c1 1574735360 GRBCUNQMEUUNSQ-UHFFFAOYSA-N 319.386 -0.214 30 20 DBED CCn1cc(CC(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[nH]2)nn1 1578754415 AYGCGWGFKNKYCV-UHFFFAOYSA-N 313.285 -0.746 30 20 DBED N#Cc1ncc(N[C@H](CO)[C@H]2CCCOC2)nc1-c1nn[nH]n1 1581882493 AUBDEBZTGCVMMU-WCBMZHEXSA-N 316.325 -0.272 30 20 DBED C#CC[C@@H](NC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O)C(=O)O 1588404660 FEFCXMBPDQVKTJ-OTYXRUKQSA-N 307.306 -0.700 30 20 DBED C#CC[C@H](NC(=O)c1nnn(-c2ccn(C)n2)c1C)C(=O)O 1588421287 FUMBZGSSWLUZSF-VIFPVBQESA-N 302.294 -0.484 30 20 DBED C[C@@H](O)[C@@H]1CN(c2cnc(-c3nn[nH]n3)c(C#N)n2)CCO1 1589996647 SIBSRENHXXSQTN-APPZFPTMSA-N 302.298 -0.886 30 20 DBED N#CCN1CCN(C(=O)Cc2ccc(-c3nn[nH]n3)nc2)CC1 1592678524 ZXVYDFMDICSKDK-UHFFFAOYSA-N 312.337 -0.528 30 20 DBED COC[C@@]1(C(=O)O)CCN(C(=O)C(=O)N2CCC(C#N)CC2)C1 1593959432 YAFXIGAJAMKONI-OAHLLOKOSA-N 323.349 -0.302 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N2[C@H]3CC[C@H]2[C@@H](C(=O)O)C3)CCO1 1601063344 PWBLQBJKTIGMBP-VLEAKVRGSA-N 315.351 -0.607 30 20 DBED O=C(O)C1CCN(C(=O)Cn2ccc(C=NO)nc2=O)CC1 1601821944 NPLKRNAOHOPQLC-UHFFFAOYSA-N 308.294 -0.625 30 20 DBED C#CCOCCC(=O)NC1(CC(=O)O)CCS(=O)(=O)CC1 1602728529 VEDFKZJAIZSCCU-UHFFFAOYSA-N 317.363 -0.435 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H](CC1OCCO1)C(=O)O 1602755292 NPTIYCLOAZLDCO-MNOVXSKESA-N 314.338 -0.210 30 20 DBED C[C@H](C(=O)NC1(C#N)CCC1)N1C[C@@H]2COC[C@]2(C(=O)O)C1 1602789417 SLGVAEJTVSSBSF-UEKVPHQBSA-N 307.350 -0.030 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)NC1(CC(=O)O)CCOCC1 1609630792 FIBOVSPJJALQRH-JTQLQIEISA-N 319.383 -0.064 30 20 DBED C#CCN1CCN(CCNC(=O)Cc2ncc(CC)[nH]2)CC1 1752365907 MEHNDZFKPCIHFB-UHFFFAOYSA-N 303.410 -0.118 30 20 DBED C=CCOCCNC[C@@H]1CCCN(C(=O)CNC(=O)NC)C1 1752799616 PQQJBZFYXRJNRU-ZDUSSCGKSA-N 312.414 -0.054 30 20 DBED C=CCCNC[C@@H]1CCN(C(=O)[C@H](C)NS(C)(=O)=O)C1 1752952679 DQFABMFMWRRIDO-RYUDHWBXSA-N 303.428 -0.062 30 20 DBED CC(C)(O)CC(=O)N[C@@H]1CCC[C@H](NCC(=O)NCC#N)C1 1752966294 ADXOTYJYROFSJH-NWDGAFQWSA-N 310.398 -0.196 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCN(C)CC(=O)NCCC 1753051634 LIJUBKJNKGIXPW-AWEZNQCLSA-N 308.426 -0.342 30 20 DBED C=CCNC(=O)NC(=O)CN(C)CCNC(=O)c1nc(C)c[nH]1 1753066159 NOFKXEFZAWPVFM-UHFFFAOYSA-N 322.369 -0.608 30 20 DBED C#CCNC(=O)[C@H](C)NCCN(C)C(=O)c1cc(COC)on1 1753238503 LCMNGPPWDSVFOZ-NSHDSACASA-N 322.365 -0.380 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1CN([C@H](C)C(=O)NC2CC2)C1 1753403157 OLRSHAQSHMVQHB-NEPJUHHUSA-N 307.394 -0.260 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H](CC)CNC(=O)c1n[nH]c(C)c1O 1753470791 YUTSKHFKJGSAQK-WDEREUQCSA-N 321.381 -0.340 30 20 DBED C#CCNC(=O)CN[C@H](C)[C@H]1CCCN(C(=O)c2ncc[nH]2)C1 1753794131 KMDOFPVPVRUELU-OLZOCXBDSA-N 317.393 -0.011 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@H](C)NC(=O)c1ccnnc1C 1754274733 WGXPCMSSPIARKQ-JQWIXIFHSA-N 303.366 -0.369 30 20 DBED Cc1ncsc1C(=O)NC[C@H]1CCN1CC(=O)NCC#N 1754473442 KHJKSNFMLGBHFF-SNVBAGLBSA-N 307.379 -0.105 30 20 DBED C#CCCN1CC[C@](O)(CNC(=O)[C@@H]2CCCN(C(N)=O)C2)C1 1754752230 DMJMZCWDRFRTMF-CJNGLKHVSA-N 322.409 -0.647 30 20 DBED C=C(C)CCN1CC[C@@](O)(CNC(=O)c2cc(=O)n(C)cn2)C1 1754754046 LFGJOTCAOCKVFG-MRXNPFEDSA-N 320.393 -0.087 30 20 DBED C#CCNCCN(CCO)C(=O)[C@H]1CCCN(C(=O)CC)C1 1754884475 OPDRWOGGCSEHQH-AWEZNQCLSA-N 309.410 -0.321 30 20 DBED C=C(C)CNC1(CNC(=O)[C@H]2CCS(=O)(=O)N2)CCC1 1754992903 VYTOXXXGUZGPHT-LLVKDONJSA-N 301.412 -0.117 30 20 DBED C/C(=C\C(=O)N1CCO[C@@H](CNCC(=O)NCC#N)C1)C1CC1 1754993873 CHEWZIGSGUOVPE-BCNIOPEESA-N 320.393 -0.201 30 20 DBED C[C@H](NC(=O)C(C)(C)C)C(=O)N1CCO[C@H](CNCC#N)C1 1755006665 DCEUOLJKRRNQDE-NWDGAFQWSA-N 310.398 -0.122 30 20 DBED Cc1cc(NC(=O)C(=O)N2CCC[C@@](CO)(NCC#N)C2)no1 1755092078 UOAGHIYMLPUYST-CQSZACIVSA-N 321.337 -0.612 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)c2cnns2)C[C@@H]1C 1755102789 BGBAOTUHDUWCAT-VHSXEESVSA-N 309.395 -0.110 30 20 DBED C#CCNC(=O)CN[C@@H](C)[C@@H](C)NC(=O)C12CCCN1CCC2 1755241802 HXADRMOWLREAPP-UONOGXRCSA-N 320.437 -0.153 30 20 DBED N#Cc1cccc(CN2CC(CCO)(NC(=O)CC(N)=O)C2)c1 1755332335 WMEWMDDPSTXHSX-UHFFFAOYSA-N 316.361 -0.513 30 20 DBED N#CCN1CC(CCO)(NC(=O)c2noc3c2COCC3)C1 1755338176 KWPYTOGHUWAAQD-UHFFFAOYSA-N 306.322 -0.563 30 20 DBED C=C(C)CCN1C[C@H]2[C@H](CNC(=O)C[C@@H]3NC(=O)NC3=O)[C@H]2C1 1755425424 OFRJOGOYPRDTLP-RVMXOQNASA-N 320.393 -0.155 30 20 DBED N#CCN1CC[C@]2(NC(=O)CC[C@@H]3NC(=O)NC3=O)CCC[C@H]12 1755704422 LLACOXVHRGJBNX-ZIBATOQPSA-N 319.365 -0.389 30 20 DBED C#CCNC[C@H]1CC[C@@H](NC(=O)CN(C)CC(=O)NC(C)C)C1 1755738222 SAVBNTQWTGCMAP-LSDHHAIUSA-N 322.453 -0.050 30 20 DBED C#CCNC[C@H](O)CN(C)C(=O)CCNC(=O)c1ccsc1 1755781261 CMENVHVNUALOGO-ZDUSSCGKSA-N 323.418 -0.090 30 20 DBED C=CCNC[C@@H](O)CN(C)C(=O)[C@@]1(C)CCCS1(=O)=O 1755791366 JUGFBDWSPXDCKQ-DGCLKSJQSA-N 304.412 -0.451 30 20 DBED C#CCOCCC(=O)NC1CC(CNC(=O)C(C)(C)C(N)=O)C1 1755934816 RKMCRAJOWQDVCY-UHFFFAOYSA-N 323.393 -0.451 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)[C@@H](C)NC(=O)COC(C)C 1755956730 TVEQHWXGSTZJMU-NWDGAFQWSA-N 311.382 -0.440 30 20 DBED CC#CCCCC(=O)N[C@@H](CO)CNC(=O)[C@H](C)NC(C)=O 1756504852 HLIJWFZLRDUGGZ-WCQYABFASA-N 311.382 -0.702 30 20 DBED C#CCCCCC(=O)N[C@@H](CO)CNC(=O)c1cnsn1 1756505573 IINCQKQATLOMGS-SNVBAGLBSA-N 310.379 -0.061 30 20 DBED O=C(C#CC1CC1)NC[C@H](CO)NC(=O)c1ccnc(F)c1 1756520221 WYMKIQUTSJUHIC-GFCCVEGCSA-N 305.309 -0.159 30 20 DBED C=C(C)C[C@H](C)C(=O)NC[C@@H](O)CN(C)C(=O)c1ncn(C)n1 1756660995 PYCPGGDPRIZFGI-NWDGAFQWSA-N 323.397 -0.034 30 20 DBED CC(C)N(CCN(C)C(=O)C#CC1CC1)C(=O)[C@@H]1CNC(=O)N1 1756700074 NCWMGHGLRRGYDE-ZDUSSCGKSA-N 320.393 -0.223 30 20 DBED C[C@@H](CC(N)=O)C(=O)N1C[C@@H](O)[C@H](NC(=O)C#CC(C)(C)C)C1 1756993453 BRUCKZWINQGHQM-QJPTWQEYSA-N 323.393 -0.765 30 20 DBED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)F)CCO2 1835484997 LZOIAPIEYCJQRL-OAHLLOKOSA-N 312.341 -0.176 30 20 DBED N#CCC(=O)N1CCCC12CN(C(=O)CN1CCCC1=O)C2 1842622084 XZLUYSZEMXRBQS-UHFFFAOYSA-N 304.350 -0.274 30 20 DBED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)c2cc(O)n[nH]2)C1 1842985079 UYNBSMOOZGTSJN-UHFFFAOYSA-N 318.289 -0.980 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 88595415 WSSBTHUUMDIOJZ-LSDHHAIUSA-N 320.437 -0.247 30 20 DBED C#CCOCCC(=O)NCCNc1ncnc2c1cnn2C 131266085 OGPVUKGRGQLSDK-UHFFFAOYSA-N 302.338 -0.069 30 20 DBED N#Cc1ccc([C@@H](O)CN2CCN(S(N)(=O)=O)CC2)cc1 156329610 WYCBIGGUQCPYBV-ZDUSSCGKSA-N 310.379 -0.587 30 20 DBED Cn1c(N)c(C(=O)CN(CC#N)C2CCCC2)c(=O)n(C)c1=O 156745638 IDQBOOJWJHBUJC-UHFFFAOYSA-N 319.365 -0.383 30 20 DBED CCC(=O)N1CC[C@H](N/C(=N\C)NCC(=O)N2CCCC2)C1 161136654 PQKLSYVKINIWMN-LBPRGKRZSA-N 309.414 -0.215 30 20 DBED C#CCN1CCN(C(=O)c2cccc(CS(N)(=O)=O)c2)CC1 171980730 DBTYIOLMYHNZDO-UHFFFAOYSA-N 321.402 -0.134 30 20 DBED CNS(=O)(=O)c1cccc([C@H](C)NCC(=O)NCC#N)c1 181936738 LDGLXQNBLPWYFC-JTQLQIEISA-N 310.379 -0.115 30 20 DBED C#C[C@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1c(C)nn(C)c1C 186004028 WEMYQPKJIZBQSP-WCBMZHEXSA-N 312.395 -0.158 30 20 DBED C[C@@H]1CN(C(=O)Cn2c(=O)c(C#N)cn(C)c2=O)C[C@@H](C)O1 294914777 IPTPWZUQFSZGPC-NXEZZACHSA-N 306.322 -0.946 30 20 DBED NC(=O)[C@H]1CCCN(CCC/N=C(/N)N2CCSCC2)C1 303984876 SOKNNURORNICBH-LBPRGKRZSA-N 313.471 -0.063 30 20 DBED CC(=O)N1CCN(CC/N=C(/O)[C@@]2(O)CCSC2)CC1 329001957 HBDKDHPPNWFZRZ-CYBMUJFWSA-N 301.412 -0.025 30 20 DBED CN1CCO[C@H](C/N=C(/O)N2CC[C@H]3[C@@H](C2)N=C(O)N3C)C1 329119367 JSARVUYIVDMVBG-UTUOFQBUSA-N 311.386 -0.467 30 20 DBED COCCN1CC[C@H](N/C(O)=N/C[C@H]2CN(C)CCN2C)C1 329671574 NGKJXYVQTINDOP-KBPBESRZSA-N 313.446 -0.544 30 20 DBED CC/N=C(/O)N1CC[C@H](N/C(O)=N/C[C@@H]2COCCO2)C1 329980332 LDINLIRJFUIENA-WDEREUQCSA-N 300.359 -0.086 30 20 DBED COCCN(CCC#N)S(=O)(=O)NC[C@H](C)C(=O)OC 336883470 CRZNTBHNDXDNLW-JTQLQIEISA-N 307.372 -0.508 30 20 DBED CN(CCCn1ccnc1)S(=O)(=O)N1CCO[C@@H](C#N)C1 336948577 QSGDMVZQJSNTKT-LBPRGKRZSA-N 313.383 -0.326 30 20 DBED C=CCN1CC[C@H](N2CCC[C@@H](CS(N)(=O)=O)C2)C1=O 337191696 SQJDSDFGTNFBJX-NEPJUHHUSA-N 301.412 -0.226 30 20 DBED C=C(C)CN(C)C(=O)C(=O)NC[C@H]1CCCN1S(C)(=O)=O 347303699 HRHFYDVTSXIMDB-LLVKDONJSA-N 317.411 -0.439 30 20 DBED Cc1cc(NC(=O)C(=O)N[C@@H](CCO)C(C)C)nn1CCC#N 349302059 RSVMVEYPHFSZRE-LBPRGKRZSA-N 321.381 0.567 30 20 DBED N#CCNC(=O)CNS(=O)(=O)N1CC[C@@H]2CCCC[C@@H]2C1 352538039 DMJHXCPYOWZYHB-NWDGAFQWSA-N 314.411 -0.027 30 20 DBED CCS(=O)(=O)NCCNC(=O)Cc1noc(C)c1C#N 354347556 GOTMKXPXZKKMBF-UHFFFAOYSA-N 300.340 -0.547 30 20 DBED N#Cc1cn(CC(=O)N2CCNC(=O)C2)c2ccccc2c1=O 355845540 PPGWMTXMVDXQQJ-UHFFFAOYSA-N 310.313 -0.168 30 20 DBED C=C[C@H](CO)NC(=O)NCCNS(=O)(=O)c1cccs1 359208915 DGMGOZNXKINQCC-SECBINFHSA-N 319.408 -0.128 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H](C)[C@@H]2CN)C1=O 429136323 QBLJPNPOWODSQY-QWRGUYRKSA-N 322.365 -0.451 30 20 DBED C=CCOC[C@@H](NC(=O)Cn1c(C)cc(C)nc1=O)C(=O)OC 435946771 BYHAHBQXTPLKHN-GFCCVEGCSA-N 323.349 -0.279 30 20 DBED Cc1cc(NC(=O)C(=O)N2CC[C@@H](C)[C@H]2CO)nn1CCC#N 443812862 GEJXSISGQMLMCC-ZYHUDNBSSA-N 319.365 0.273 30 20 DBED C=CCC[C@H](O)CN1CCOC[C@@H]1C(=O)NCC(=O)OCC 444616546 OOLBMTYRFHRYHU-QWHCGFSZSA-N 314.382 -0.306 30 20 DBED C#CCNC(=O)CN1CCN(C[C@@H](O)COCC(C)C)CC1 491126900 UHMMBXQIAIQWSW-OAHLLOKOSA-N 311.426 -0.613 30 20 DBED C#C[C@@H](CCC)NS(=O)(=O)CCCS(=O)(=O)N(C)C 491621389 GGNBDNMZWXBXGY-NSHDSACASA-N 310.441 -0.011 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@H](C)[C@H](C)COC)CC1 491784474 QSQZFSYAOLZHBH-ZIAGYGMSSA-N 309.410 -0.201 30 20 DBED N#Cc1ccc(S(=O)(=O)N[C@H](Cc2cnc[nH]2)C(=O)O)o1 548769231 VXMLXLGUQLBHFH-SECBINFHSA-N 310.291 -0.151 30 20 DBED N#Cc1ccc(O[C@@H]2CCN(C(=O)Cn3cnnc3O)C2)nc1 557474232 IVNGDGDHUQGOQB-LLVKDONJSA-N 314.305 -0.070 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)NC[C@H](CC(=O)O)C(=O)O 568096171 RKYIIWDBGTYYEP-SFYZADRCSA-N 307.328 -0.912 30 20 DBED COC(=O)[C@@H]1CN(Cc2cnc3c(C#N)cnn3c2)CCO1 583084242 HBAJNWLZZLGACT-LBPRGKRZSA-N 301.306 -0.025 30 20 DBED O=C(NCC#CCO)[C@@H]1CCCC[C@H]1C(=O)NCC#CCO 584258687 DMGHAWOSGGPCJU-ZIAGYGMSSA-N 306.362 -0.983 30 20 DBED COC(=O)[C@H]1C[C@@H](O)CN(S(=O)(=O)CC2(CC#N)CC2)C1 592120618 ZCAGZOUNIAYDNY-WDEREUQCSA-N 316.379 -0.134 30 20 DBED COC(=O)[C@@H]1C[C@H](O)CN(CC(=O)N[C@](C)(C#N)C2CC2)C1 592206670 HFMPGMHPRCMQBA-IFUGULHKSA-N 309.366 -0.349 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N1CC(S(=O)(=O)CC)C1 595517618 CUKPWTPSAJVDHW-SECBINFHSA-N 303.384 -0.494 30 20 DBED C=CCCCN(C)C(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 595995672 WGPIPRYNOMGYAX-RYUDHWBXSA-N 308.382 -0.819 30 20 DBED COC(=O)CN(CCN1CCOCC1)c1cc(C#N)cnn1 596184819 JXJPVEQWSYPFSZ-UHFFFAOYSA-N 305.338 -0.340 30 20 DBED C[C@H](C[C@H]1CCOC1)NC(=O)C(=O)N1CCN(CCC#N)CC1 602249764 BISWJRWTXASWMH-ZIAGYGMSSA-N 322.409 -0.024 30 20 DBED C=CC[C@H](C)NC(=O)NCCN1CCN(S(C)(=O)=O)CC1 604898008 WEGJNBPUCJRZOG-LBPRGKRZSA-N 318.443 -0.173 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)C(C)(C)NC(=O)OC 729737300 YSLDHMFEBBYMTQ-UHFFFAOYSA-N 301.299 -0.324 30 20 DBED N#CCNC(=O)COC(=O)C[C@@H]1Oc2ccccc2NC1=O 731239083 FWAKJTOIZUHQMN-NSHDSACASA-N 303.274 -0.041 30 20 DBED N#Cc1cc(NC(=O)C(=O)N2CCO[C@@H](C(=O)O)C2)ccc1F 739098918 LOZLRYYRYODOGC-LLVKDONJSA-N 321.264 -0.052 30 20 DBED N#Cc1ccc(S(=O)(=O)NCC(=O)O[C@H]2CCOC2=O)cc1 769642257 VDCAMYAVTBXFMS-NSHDSACASA-N 324.314 -0.305 30 20 DBED COC(=O)c1c(S(=O)(=O)Nc2c(C#N)cnn2C)n[nH]c1C 783597712 QCIZGQVDXQAJLR-UHFFFAOYSA-N 324.322 -0.089 30 20 DBED CCOCCCNC(=O)[C@H](C#N)C(=O)CCn1cnccc1=O 796739531 BUQPYAVBMBWUFK-GFCCVEGCSA-N 320.349 -0.115 30 20 DBED C#CCC[C@@H](O)CNC(=O)c1csc(S(N)(=O)=O)c1 799071783 SJFTXTKQRQMZPG-SECBINFHSA-N 302.377 -0.100 30 20 DBED C#CCCCS(=O)(=O)NC[C@@H]1CC[C@@H](C(=O)N(C)C)O1 805053892 FEOBTGWQSOGPNG-RYUDHWBXSA-N 302.396 -0.045 30 20 DBED C#CCCCNC(=O)C(=O)N(CC)[C@@H](C)CS(C)(=O)=O 806914990 HPTMWRCCBCZLIU-NSHDSACASA-N 302.396 -0.202 30 20 DBED C=CCNC(=O)CNC(=O)[C@@H]1CCCN1C(=O)C(F)(F)F 807206080 SGTVKBMBJJURDJ-QMMMGPOBSA-N 307.272 -0.042 30 20 DBED Cc1oc2ncn(C)c(=O)c2c1C(=O)N[C@@H]1CCCN(O)C1=O 816759612 QMJLRWCCRLMZNY-MRVPVSSYSA-N 320.305 -0.055 30 20 DBED C=C[C@@](C)(O)C(=O)N1CCN(C[C@H]2CCCS2(=O)=O)CC1 820437870 CITILGUEOBFQIF-TZMCWYRMSA-N 316.423 -0.355 30 20 DBED CON(C)C(=O)CSc1nc(N)c(-c2nn[nH]n2)cc1C#N 821696470 DOJOFPNVLGXRKF-UHFFFAOYSA-N 320.338 -0.173 30 20 DBED C[C@@H](CC(=O)N[C@H](C)CN)/N=C1/NS(=O)(=O)c2ccccc21 834521634 OXWGXNYHVRNNID-VHSXEESVSA-N 324.406 -0.033 30 20 DBED N#Cc1ccc(NCCNC(=O)[C@@H]2CCS(=O)(=O)N2)nc1 845182242 YQKQVQNSHUPNDS-JTQLQIEISA-N 309.351 -0.827 30 20 DBED C#CCNC(=O)[C@@H](C)OC(=O)c1c(C(=O)OCC)cnn1C 845185917 JSMMMQMRLSPFNE-SECBINFHSA-N 307.306 -0.109 30 20 DBED C#CCOc1cc(F)ccc1NC(=O)C(=O)NC(C)(CO)CO 845965310 WMOXTENQSBVWJV-UHFFFAOYSA-N 324.308 -0.364 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N1CCC2(C1)OCCO2 850710299 YHOKGOBRHWNSHV-UHFFFAOYSA-N 310.350 -0.540 30 20 DBED CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)N[C@H]1CNC[C@H]1C#N 852875750 OZIYYUVPGHKIRS-ADEWGFFLSA-N 314.411 -0.679 30 20 DBED C#CCCCCNC(=O)N1CCN(S(=O)(=O)NC)CC1 853852381 HHSMFQGLBDBYBE-UHFFFAOYSA-N 302.400 -0.419 30 20 DBED C#CC[C@H](CO)NC(=O)[C@@H](O)[C@@H](O)c1nc2ccccc2[nH]1 854541445 FWMOSDSSBNNKGA-WQAKAFBOSA-N 303.318 -0.542 30 20 DBED C=C(Cl)C[C@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)C(=O)O 864183911 JIOIEIPGWAFXJE-LURJTMIESA-N 303.662 -0.102 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)NCCCn1ccnc1 874977356 VGUTVISDUODDRD-CYBMUJFWSA-N 306.366 -0.066 30 20 DBED C=C(C)CN(CC)C(=O)COC(=O)CN1CCCS1(=O)=O 919359707 LKNPHHGTHMWTHQ-UHFFFAOYSA-N 318.395 -0.010 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)c3cnn(C)n3)C2)nc1 938278721 ZGXPMAAKHBNHNY-LBPRGKRZSA-N 324.344 -0.164 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)Cn3cncn3)C2)nc1 938883465 ZANGJHAMGQRLEP-ZDUSSCGKSA-N 324.344 -0.315 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C2CN(Cc3nncn3C)C2)CC1 941344185 DUICSPYGXSILKB-LBPRGKRZSA-N 317.397 -0.697 30 20 DBED CO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1NC(=O)c1c[nH]nc1C 944271949 JBFUCWISZNQSKD-XXILOJSOSA-N 305.338 -0.167 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)c2cncn2C)C1 944658374 RHYOCTMXOATJQV-MNOVXSKESA-N 305.338 -0.463 30 20 DBED C[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)CC[C@H]1NC(=O)C(N)=O 945250313 CSXGZMLTRJSVQA-WCBMZHEXSA-N 303.322 -0.662 30 20 DBED O=C1N[C@H](C(=O)NCC2CCN(C(=O)C#CC3CC3)CC2)CO1 948924555 GGXQKJNHFQJJHI-ZDUSSCGKSA-N 319.361 -0.137 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@@H]1CNC(=O)c1nnc(O)nc1O 951300355 OZDZQCZQFVFPSI-MRVPVSSYSA-N 321.337 -0.174 30 20 DBED CN1C[C@@H](C(=O)N(C)C2CN(C(=O)C#CC3CC3)C2)CCC1=O 954505135 FRXZNGOKONRGSK-ZDUSSCGKSA-N 317.389 -0.063 30 20 DBED C#CCOc1ccc(C(=O)NC[C@H]2CN(CCO)C[C@@H]2O)cc1 958452464 FMGLPGVCMANPTO-HOCLYGCPSA-N 318.373 -0.287 30 20 DBED Cc1[nH]nc(C(=O)N(C)[C@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)c1C 958757790 MLBJARNSTHFTCY-ZHAHWJHGSA-N 319.365 -0.170 30 20 DBED C#Cc1cncc(C(=O)N[C@H]2[C@@H]3CN([C@@H]4CCN(C)C4=O)C[C@@H]32)c1 961723442 RFZNKKWMXISUJX-QXSJWSMHSA-N 324.384 -0.046 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CN(C(=O)[C@@H]3CCNC3=O)C[C@H]2C1 962051365 VSGYSMXXVGZUIR-WISYIIOYSA-N 304.350 -0.801 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)c1ccnn1C 964106533 HTPOZXMRKJBCRN-WDEREUQCSA-N 305.338 -0.463 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)c1cncnc1 964167738 UUOJLAURCKNRIS-PWSUYJOCSA-N 303.322 -0.407 30 20 DBED Cc1nonc1C(=O)N[C@H]1COC2(C1)CN(C(=O)[C@H](C)C#N)C2 965739720 LGYYCHNGRYSFJE-PSASIEDQSA-N 319.321 -0.363 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CCC(=O)N2)C1 974345334 LIOCKKFNVGYVRI-FHUSYTEZSA-N 321.377 -0.381 30 20 DBED Cc1nc(CC(=O)N[C@H]2[C@@H]3CN(C(=O)[C@@H](C)C#N)C[C@@H]32)n[nH]1 976478446 OSWNLBHOYZWHOF-UFAOYGAJSA-N 302.338 -0.612 30 20 DBED N#Cc1ccc(C(=O)N2C[C@H]3[C@H](NC(=O)Cn4ccnc4)[C@H]3C2)[nH]1 976759963 ACZWUKNEVDTFMX-JYAVWHMHSA-N 324.344 -0.030 30 20 DBED N#CCN1C[C@H]2[C@H](CNC(=O)c3coc(S(N)(=O)=O)c3)[C@H]2C1 978364936 RVZDRZAEFYSRKU-RTCCRHLQSA-N 324.362 -0.642 30 20 DBED C[C@@H](C#N)C(=O)N1CCCN(CCN2C(=O)CNC2=O)CC1 980850116 QNDQGMCNBGSBLJ-NSHDSACASA-N 307.354 -0.768 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC(NC(=O)c2cnccn2)C1 990105626 SMXQGRMZFFGKGB-AWEZNQCLSA-N 313.361 -0.485 30 20 DBED C#Cc1cncc(C(=O)N2CC(NC(=O)c3ccc(O)nn3)C2)c1 990157609 YGCKSDBMGGQGOG-UHFFFAOYSA-N 323.312 -0.187 30 20 DBED COCCn1cc(C(=O)NC2CN(C(=O)C#CC3CC3)C2)nn1 991477001 RLJUHOCTUWSMJN-UHFFFAOYSA-N 317.349 -0.722 30 20 DBED C=C(C)CN[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)CC1(C)C 996420573 XWOVBNPNPPLZJI-LLVKDONJSA-N 308.382 -0.059 30 20 DBED Cn1nnc(C(=O)N2CC[C@@H](C(F)(F)F)[C@H](NCC#N)C2)n1 998278511 UKTUWAFRYKYUBB-HTQZYQBOSA-N 317.275 -0.284 30 20 DBED CN1CC[C@H](C(=O)N2CCC[C@H](NCC#N)C2)S1(=O)=O 1000427777 PVGJOMZGHVKRJD-WDEREUQCSA-N 300.384 -0.876 30 20 DBED CN1CC[C@@H](C(=O)NCC2CCN(CC#N)CC2)S1(=O)=O 1001935234 WCTRBHBYIKMWAC-LBPRGKRZSA-N 314.411 -0.628 30 20 DBED C[C@H](NC(=O)c1ncn(C)n1)C1CN(C(=O)C#CC2CC2)C1 1006030285 LRBKBECPMLMNIV-JTQLQIEISA-N 301.350 -0.195 30 20 DBED NC(=O)[C@H]1CC[C@@H]1C(=O)N1CCN(C(=O)C#CC2CC2)CC1 1011107254 CGFCXGATYKAUNG-STQMWFEESA-N 303.362 -0.418 30 20 DBED Cc1nc(C(=O)N2CCN(C(=O)[C@@H](C)C#N)CC2)c(=O)[nH]c1C 1011297842 HITGDOGECIQGKB-VIFPVBQESA-N 317.349 -0.169 30 20 DBED COc1ccc(C#N)cc1CNC[C@H]1CCN(C(=O)C(N)=O)C1 1027032249 FOXDOQQMAXXFDT-GFCCVEGCSA-N 316.361 -0.010 30 20 DBED C#CCN(C)[C@H]1CCCN(C(=O)Cn2ccc(=O)n(C)c2=O)C1 1027433557 BBHAQFOGGUOMIM-ZDUSSCGKSA-N 318.377 -0.897 30 20 DBED C#CCN1CC[C@@H](CNC(=O)c2cn(C[C@H]3CCOC3)nn2)C1 1028900339 ZXOKSGBWMSIYCY-UONOGXRCSA-N 317.393 -0.001 30 20 DBED C#CCN1CC[C@H](N(C)C(=O)CN2CCCCS2(=O)=O)C1 1033274312 YKUDUPCAZOMNIP-ZDUSSCGKSA-N 313.423 -0.422 30 20 DBED C=CCN1CC[C@@H](N2CC[C@H](N(C)C(=O)c3nc[nH]n3)C2)C1=O 1033514613 XLYHEYCHOCYEDS-NWDGAFQWSA-N 318.381 -0.262 30 20 DBED C#CCN1CC[C@@H](N(CC)C(=O)c2cnc(O)n(C)c2=O)C1 1033918242 BEPRDUZPVDFYNM-LLVKDONJSA-N 304.350 -0.345 30 20 DBED C#CCN1CCCC[C@@H](NC(=O)CN2CCN(C)C(=O)C2)C1 1034278940 NFFBLFSUOHUUNK-CQSZACIVSA-N 306.410 -0.636 30 20 DBED CC#CCN1CCO[C@@H](CNC(=O)c2nnn(C(C)(C)C)n2)C1 1035381571 GIUMHRAOHCJMSL-LBPRGKRZSA-N 320.397 -0.118 30 20 DBED COc1nc(C)ncc1C(=O)NC[C@@H]1CN(CC#N)CCO1 1035391257 NCNXFCDRQAIVBT-LLVKDONJSA-N 305.338 -0.252 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)[C@@H]2CCc3nncn3CC2)C1 1035445184 ACQLZCJMABRGHA-KGLIPLIRSA-N 317.393 -0.319 30 20 DBED C[C@@H]1CN(C(=O)c2cnc(O)n(C)c2=O)CC[C@H]1NCC#N 1036140641 LJSRHHPEVWGPRT-MWLCHTKSSA-N 305.338 -0.550 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCN1CC(=O)N1CCC1 1038368619 QUQJMNRGZVKJFI-GJZGRUSLSA-N 318.421 -0.493 30 20 DBED N#Cc1ccc(N2CCO[C@@H]3CCN(C(=O)C(N)=O)C[C@@H]32)cn1 1040001553 SVUHEBYXDZLEKS-QWHCGFSZSA-N 315.333 -0.755 30 20 DBED C=CCO[C@@H](C)C(=O)NC[C@]1(O)CCN(C(=O)CCOC)C1 1040160671 HDPAJNFGLIEYTF-SWLSCSKDSA-N 314.382 -0.306 30 20 DBED N#CCN1CCC[C@@]2(CCN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)C1 1040244594 LOGGXALFPKUNLL-XHDPSFHLSA-N 319.365 -0.577 30 20 DBED C#Cc1ccc(C(=O)N2CC(O)(CNC(=O)C(F)F)C2)cn1 1041077119 WIFSDOGCDHFVQZ-UHFFFAOYSA-N 309.272 -0.369 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)c3ccns3)C2)nn1 1041193324 VBGYGMGLSBURCJ-NXEZZACHSA-N 316.346 -0.216 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)[C@@H](C)OCC)C1 1041634004 AXAORDBHXNIROY-NEPJUHHUSA-N 314.382 -0.308 30 20 DBED C[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1NC(=O)Cn1cnnn1 1041760187 IYPKCYKFDLAPQD-ZYHUDNBSSA-N 312.337 -0.419 30 20 DBED N#Cc1ccc(C(=O)N2CC(O)(CNC(=O)c3cocn3)C2)[nH]1 1042046905 CRUQYMBJCQKREY-UHFFFAOYSA-N 315.289 -0.509 30 20 DBED C#CCN1CC[C@@H]2CCN(C(=O)CN3CC(=O)N(C)C3=O)C[C@H]21 1042311322 JBPAYIFRVKWAAL-CHWSQXEVSA-N 318.377 -0.564 30 20 DBED C#CCNC(=O)CC(=O)NCC1(O)CN(C(=O)CCCC)C1 1042672376 NVQAKRZTYUXSDH-UHFFFAOYSA-N 309.366 -0.994 30 20 DBED Cc1c(C(=O)N2CC(O)(CNC(=O)C#CC(C)C)C2)nnn1C 1042936784 PQSBEFKONNMMAX-UHFFFAOYSA-N 319.365 -0.914 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)CCCOC)C1 1043037084 XWTDDUSOWUDGCX-GFCCVEGCSA-N 312.366 -0.859 30 20 DBED C#CCCN1CC(N(C)C(=O)[C@@H]2CCc3nnnn3CC2)C1 1043931417 GFCIDQYESCFCEY-GFCCVEGCSA-N 302.382 -0.209 30 20 DBED Cc1nn[nH]c1C(=O)NCC1(O)CN(C(=O)C#CC(C)(C)C)C1 1044366394 GKJUASURGPBPCT-UHFFFAOYSA-N 319.365 -0.534 30 20 DBED N#Cc1nccc(N2CC[C@@H]3CCN(C(=O)CC(N)=O)C[C@@H]32)n1 1044956510 ICZHYOJSTZWTMT-QWRGUYRKSA-N 314.349 -0.349 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)C2(C(N)=O)CC2)C1 1045494016 PVLLPRTZWUYNQT-UHFFFAOYSA-N 309.366 -0.846 30 20 DBED Cc1cccc(C(=O)N2CC(O)(CNC(=O)[C@@H](C)C#N)C2)n1 1045541402 WBDAVWJQHZOPSC-JTQLQIEISA-N 302.334 -0.147 30 20 DBED Cc1ccoc1CC(=O)N1CC(O)(CNC(=O)[C@H](C)C#N)C1 1045551974 PDRGHBBJOJCPKD-LLVKDONJSA-N 305.334 -0.020 30 20 DBED C=C[C@](C)(CC)C(=O)NCC1(O)CN(C(=O)CC(=O)NC)C1 1045777862 PREMFZALNFFTHB-CQSZACIVSA-N 311.382 -0.586 30 20 DBED C#CCN1CC[C@H](N2CCN(C(=O)c3ccnn3C)CC2)C1 1046010583 OVUHJOQWVVKHCZ-AWEZNQCLSA-N 301.394 -0.115 30 20 DBED N#CCN1CC[C@H](N2CCN(C(=O)CCn3ccnn3)CC2)C1 1046025115 UMCXVMMXDAOQLU-AWEZNQCLSA-N 317.397 -0.590 30 20 DBED C#CCN1CC[C@@H](N2CCN(C(=O)CO[C@H]3CCOC3)CC2)C1 1046027263 LRUHXFYUGVVMLH-CVEARBPZSA-N 321.421 -0.356 30 20 DBED C=CCCn1cc(C(=O)N(C)[C@H]2CN(CCCO)C[C@@H]2O)nn1 1047558136 XZEVZHYPZYXGMB-KBPBESRZSA-N 323.397 -0.646 30 20 DBED CO[C@@H](C)C(=O)N(C)[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1O 1048413526 CCRYDSFGXXYOTR-XDTLVQLUSA-N 320.349 -0.435 30 20 DBED C#CCOCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C#CC2CC2)C1 1048825178 XGQFYQFSCFHBSW-GJZGRUSLSA-N 318.373 -0.530 30 20 DBED C#CCN1C[C@@H]2CCCN(C(=O)C[C@H]3CC(=O)NC3=O)[C@@H]2C1 1050219706 ALRAYUYBXOHVND-YNEHKIRRSA-N 303.362 -0.405 30 20 DBED N#Cc1ccc(N2CC[C@H](NC(=O)c3cocn3)[C@@H](O)C2)nn1 1051640120 VZMZGJJKIQFRFR-JQWIXIFHSA-N 314.305 -0.294 30 20 DBED CN1CCC[C@H]1C(=O)N1CC[C@@H](N2CCN(CC#N)CC2)C1 1051996314 MFLNLYBYMFAWHQ-CABCVRRESA-N 305.426 -0.177 30 20 DBED C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1CNC(=O)C(N)=O 1052391343 LJQCTXVJZBOTRT-SCZZXKLOSA-N 303.322 -0.804 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)c3cc(C(N)=O)co3)CO2)C1 1053921741 MVYGBRIBQRZRJL-SNVBAGLBSA-N 304.306 -0.525 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)c3cc4ncccn4n3)CO2)C1 1053963000 FGHCZZQXRZSCPZ-LBPRGKRZSA-N 311.345 -0.064 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)c3cccn(C)c3=O)CO2)C1 1053985870 BPNDYBBLTHGQSA-GFCCVEGCSA-N 301.346 -0.408 30 20 DBED C=C[C@](C)(O)CC(=O)N1C[C@H]2CN(C(=O)c3cnn[nH]3)C[C@H]2C1 1055305735 QVOFXAVQZWMWTF-RWSFTLGLSA-N 319.365 -0.338 30 20 DBED CC(=O)NCC(=O)N1CCC[C@@](CO)(NC(=O)C#CC2CC2)C1 1055936377 HDZHSYKLGMFWLH-MRXNPFEDSA-N 321.377 -0.994 30 20 DBED C[C@@]1(C(=O)N2CCN(c3ccc(C#N)nn3)CC2)CNC(=O)C1 1055963274 VRJWAEYYSXJKQM-HNNXBMFYSA-N 314.349 -0.477 30 20 DBED C=C[C@@](C)(O)CC(=O)N(CCO)CCNC(=O)c1ccnn1C 1057449753 IASRRSVLWKIMBO-OAHLLOKOSA-N 324.381 -0.702 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)CN1CCCC1 1057524158 AZIPKYDXPRGPQB-UHFFFAOYSA-N 309.410 -0.321 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)[C@@]1(C)CNC(=O)C1 1058131848 YIYBKOHBJLXWDZ-MRXNPFEDSA-N 323.393 -0.747 30 20 DBED N#Cc1nccnc1N1CC[C@@H](NC(=O)[C@H]2COCCO2)C1 1058305226 SFPGKCBEIWNVIQ-ZYHUDNBSSA-N 303.322 -0.541 30 20 DBED CN(C)CC1(C(=O)N(CCO)CCNC(=O)C#CC2CC2)CC1 1058599882 DHJKOTIRAPUTSI-UHFFFAOYSA-N 321.421 -0.321 30 20 DBED COc1nccc(C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N)n1 1058655370 WZCLCUTUNGSORB-JTQLQIEISA-N 321.337 -0.804 30 20 DBED O=C(Cn1cnnn1)NCC[C@@H]1CCN(C(=O)C#CC2CC2)C1 1059620881 KUENCUIXCLLLSK-CYBMUJFWSA-N 316.365 -0.559 30 20 DBED N#Cc1nc(=N[C@H]2C[C@@H](NC(=O)[C@@H]3CC[C@@H]3C(N)=O)C2)cc[nH]1 1059784169 GUJRXGHKZWIYMX-ZRUFSTJUSA-N 314.349 -0.659 30 20 DBED CC(=O)NCC(=O)N1CC2(CCN(C(=O)[C@@H](C)C#N)CC2)C1 1060885982 IZCMFSZXRAWVEQ-NSHDSACASA-N 306.366 -0.267 30 20 DBED C=CCCC(=O)N1CCOC[C@@H]1CNC(=O)CNC(=O)NC 1061647314 YUSZVXUVPDRYIP-NSHDSACASA-N 312.370 -0.775 30 20 DBED N#Cc1ccc(N2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2COC(=O)N2)nc1 1062481708 XMAUXLXJLJBKJH-SDDRHHMPSA-N 313.317 -0.149 30 20 DBED Cc1nc(CC(=O)N2C[C@@H]3C[C@H]2CN3c2cnc(C#N)cn2)n[nH]1 1062487941 BNHVVFBRFFRQFG-RYUDHWBXSA-N 324.348 -0.193 30 20 DBED N#Cc1ccc(N2CCO[C@@H](CNC(=O)c3cnon3)C2)cn1 1063639061 LDZZNXRVHYUYTK-LBPRGKRZSA-N 314.305 -0.029 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)C2CS(=O)(=O)C2)CCC1 1064304585 FJXUSZZFHPFRJD-VIFPVBQESA-N 313.379 -0.654 30 20 DBED C=CCO[C@@H](C)C(=O)NC[C@H]1CN(C(=O)c2cc[nH]n2)CCO1 1064890323 MBUPFKWBERKHGW-RYUDHWBXSA-N 322.365 -0.042 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CN(C(=O)Cc2cnoc2)CCO1 1065495945 BEDSRXBVKYYAGT-PWSUYJOCSA-N 306.322 -0.280 30 20 DBED Cc1ccn(CC(=O)N2CCO[C@@H](CNC(=O)[C@@H](C)C#N)C2)n1 1065630020 NUFQTALLJKDNIM-AAEUAGOBSA-N 319.365 -0.305 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CCCN(C(=O)CNC(N)=O)CC1 1066143280 ZROXENQCPJHIBX-GFCCVEGCSA-N 308.382 -0.189 30 20 DBED Cn1nnc(C(=O)N2C[C@H]3CC[C@H]2CN3c2ccncc2C#N)n1 1068059419 QKGUTUJULQZYRA-NEPJUHHUSA-N 324.348 -0.030 30 20 DBED N#Cc1cnc(N2C[C@H]3C(CNC(=O)c4nc[nH]n4)[C@@H]3C2)cn1 1068180447 JQMLEHOAKHOLIC-QWRGUYRKSA-N 310.321 -0.421 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2cncnc2C)C1 1069898871 CIXMXGXHQDXITC-KGLIPLIRSA-N 311.349 -0.335 30 20 DBED C=CCN[C@@H]1CN(C(=O)[C@H]2CCCNC2=O)C[C@@H]1n1ccnn1 1070213037 FQSNSEMAAOTYIT-XQQFMLRXSA-N 318.381 -0.668 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCC[C@@H](NC(=O)c2cnn[nH]2)C1 1070663488 GBGNVJZNOLODIX-YGRLFVJLSA-N 307.354 -0.147 30 20 DBED N#CCN1CCN([C@@H]2CCCN(C(=O)c3cc[nH]n3)C2)C(=O)C1 1071255009 CCKOKVSIBZNZAN-GFCCVEGCSA-N 316.365 -0.318 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CCN(C(=O)CC2(O)CCC2)CC1 1074579733 SMVAWWUCGHXGKH-GFCCVEGCSA-N 323.393 -0.079 30 20 DBED C[C@H](C#N)C(=O)N1CCC(O)(CNC(=O)c2cnon2)CC1 1074704727 HIHIPEHWEYARGC-SECBINFHSA-N 307.310 -0.687 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(C(=O)CNC(C)=O)[C@H](C)C1 1074893285 BLCIUSDJZVQNEN-DGCLKSJQSA-N 311.382 -0.179 30 20 DBED C=CCOCCCC(=O)N[C@@H](C)CCNC(=O)CNC(N)=O 1075542296 HJFNUBBADSLFGJ-NSHDSACASA-N 314.386 -0.352 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2cncn2C)C1 1077697980 LBGMVSQHUYDGAN-RGCMKSIDSA-N 302.378 -0.292 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@H](C)NC(=O)CNC(C)=O 1078533852 XOUMTUGEYAZSHO-UHTWSYAYSA-N 311.382 -0.275 30 20 DBED N#CCN[C@@H]1C[C@@H](NC(=O)CN2C(=O)CNC2=O)C12CCC2 1078802521 DZZAFQNJOGNYAX-NXEZZACHSA-N 305.338 -0.921 30 20 DBED CCN(C(=O)CNC(C)=O)C1CN(C(=O)c2c[nH]c(C#N)c2)C1 1079226786 OYBLNFWWEHPHEW-UHFFFAOYSA-N 317.349 -0.305 30 20 DBED C=CCCN1C[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)[C@H](C)C1 1080960783 GOPWIYAOGIVBKC-GRYCIOLGSA-N 301.412 -0.309 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)c2ccnn2C)C[C@@H]1O 1081333497 UJYZYZGYAXPRLR-AAEUAGOBSA-N 306.366 -0.065 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)C2=COCCO2)C[C@@H]1O 1081460788 LMSONIUZPMLKMI-OLZOCXBDSA-N 322.361 -0.531 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 1081463852 SQBRHWRKLFDQFQ-CABCVRRESA-N 302.374 -0.005 30 20 DBED C=CCC1(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C(N)=O)C2)CCC1 1081718858 JDWVULIJSQWJAN-WDEREUQCSA-N 309.366 -0.846 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1nc[nH]c2nccc1-2 1081898323 PBWMFKHQGSAKRH-GHMZBOCLSA-N 300.322 -0.138 30 20 DBED C#CCN1C[C@@H](NC(=O)c2noc3c2COCC3)[C@H](OC)C1 1082378280 CIVNWBZDOTURFT-DGCLKSJQSA-N 305.334 -0.191 30 20 DBED CO[C@H]1C[C@H](C(=O)N(C)C[C@@H]2CCN2CC#N)N(C(C)=O)C1 1085743308 LBENNTAIXKJIQL-MELADBBJSA-N 308.382 -0.322 30 20 DBED C#CCN1CC[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)[C@H]1C 1088927073 KVNKWDZLVKFNAT-PWSUYJOCSA-N 314.349 -0.717 30 20 DBED CNC(=O)NCC(=O)N[C@H](C)C[C@H](C)N=c1cc[nH]cc1C#N 1089498573 IZKYHCOQFYYHRC-WDEREUQCSA-N 318.381 -0.001 30 20 DBED C#CCCN1C[C@@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)Cn2ncnn2)C1 1089818637 YCIOSFHQWSJBFS-XQLPTFJDSA-N 314.393 -0.135 30 20 DBED N#CCN1C[C@@H](NC(=O)Cc2nc[nH]n2)CC2(CCOCC2)C1 1089963323 BUVYMEJAQUODDD-LBPRGKRZSA-N 318.381 -0.142 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2cc(OC)ncn2)[C@H](O)C1 1090274976 XMAQIAPSGSNABX-WCQYABFASA-N 304.350 -0.327 30 20 DBED Cn1ncc2cc(C(=O)N[C@H]3CCN(CC#N)C[C@@H]3O)cnc21 1090680603 WYSVPTBAKNZCOK-STQMWFEESA-N 314.349 -0.343 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)c2ccc(=O)n(C)n2)[C@@H](O)C1 1090791910 XKWHCQXNMUZPPT-AAEUAGOBSA-N 306.366 -0.479 30 20 DBED C[C@@H](CC(N)=O)C(=O)N1C[C@@H](N=c2cc[nH]c(C#N)n2)[C@H](C)C1 1091017719 ZLQATFKBUTUPFM-HBNTYKKESA-N 316.365 -0.460 30 20 DBED CC[C@H](C)OCC(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1091091071 TYZMDBRCSWJQFX-UHTWSYAYSA-N 319.365 -0.171 30 20 DBED N#Cc1cnc(NCCCNC(=O)[C@H]2CC[C@H]2C(N)=O)cn1 1094702793 CXKRAHGEMPCTEO-MNOVXSKESA-N 302.338 -0.222 30 20 DBED C[C@]1(C(=O)N[C@@H]2CC(=O)N(C3CN(CC#N)C3)C2)CCCOC1 1094802461 ARMRQHBHYWIWGC-WBMJQRKESA-N 320.393 -0.272 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)c3ccn(C)n3)CC2=O)C1 1094814311 DUYSYYONQRZYRF-NSHDSACASA-N 303.366 -0.379 30 20 DBED C=CCN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cn(CC(N)=O)nn1)C2 1095063199 UCXQKSYAMWZTAW-SRVKXCTJSA-N 318.381 -0.468 30 20 DBED CN(C)C(=O)CC(=O)NCCCN(C)c1nccnc1C#N 1095752194 APKIOVVJBOSUGV-UHFFFAOYSA-N 304.354 -0.231 30 20 DBED CO[C@@H](C)C(=O)NCCN1CCN(c2nccnc2C#N)CC1 1096270615 CPKADUWXPAFVRR-LBPRGKRZSA-N 318.381 -0.379 30 20 DBED CNC(=O)C1(C(=O)N[C@@H]2CCN(c3nccnc3C#N)C2)CC1 1096396075 TYXYKXGSUDWHLA-SNVBAGLBSA-N 314.349 -0.431 30 20 DBED CN(C)C(=O)CC(=O)N[C@@H]1CCN(c2nccnc2C#N)C1 1096487843 CYCARROTGJTXEL-SNVBAGLBSA-N 302.338 -0.479 30 20 DBED CN(C)C(=O)CC(=O)N1CC[C@H](N=c2cc[nH]cc2C#N)C1 1096979967 MIKKSOCXZONEKF-LBPRGKRZSA-N 301.350 -0.134 30 20 DBED C=CCN(CCO)C1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 1098490232 FYMNBXBURLXCJK-LBPRGKRZSA-N 324.381 -0.944 30 20 DBED C#CCNCc1cn([C@H]2CCN(C(=O)[C@H](O)C(C)C)C2)nn1 1098666951 MHICSWVXZHNHJK-UONOGXRCSA-N 305.382 -0.209 30 20 DBED C[C@H](CCNC(=O)[C@H]1CCC(=O)N1)Nc1cnc(C#N)cn1 1098930629 RZYJLHWESBOCLT-MWLCHTKSSA-N 302.338 -0.066 30 20 DBED N#CCN[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2)C[C@H]1C(F)(F)F 1099224725 NBYHGKBLQJZFND-IWSPIJDZSA-N 304.272 -0.233 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(Cc2nncs2)C[C@@H]1O 1099737787 DNRRWALEMSRQQU-MNOVXSKESA-N 312.395 -0.208 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)c2[nH]ccc2C)[C@H](O)C1 1099799758 RSOWBGSEVWBRMR-CHWSQXEVSA-N 320.393 -0.210 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)c2cnnn2CC)[C@@H](O)C1 1099807827 WIEDMBZDUOAQKE-JSGCOSHPSA-N 323.397 -0.334 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)CNS(=O)(=O)CC)[C@H](O)C1 1099860469 CDVWAFXWFLOWJG-NWDGAFQWSA-N 319.427 -0.947 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2c(C)cnn2C)[C@H](O)C1 1099946934 NPWZJMQIHFRHAN-ZIAGYGMSSA-N 320.393 -0.457 30 20 DBED C#CCN1CC[C@@H](NC(=O)C2(NC(N)=O)CCCCC2)[C@H](O)C1 1100026973 KLAFVCHWNYWQGO-CHWSQXEVSA-N 322.409 -0.458 30 20 DBED CN(CCNC(=O)[C@H]1COCCN1C)c1ccc(C#N)nc1 1100028400 SKLNUAIZTJPEKS-CQSZACIVSA-N 303.366 -0.164 30 20 DBED CC#CCN1CC[C@H](NC(=O)COC2CCN(C)CC2)[C@@H](O)C1 1100050060 BLHDFVNABZSLRQ-HOTGVXAUSA-N 323.437 -0.328 30 20 DBED C#CCCN1CC[C@H](NC(=O)CCc2cnccn2)[C@H](O)C1 1100066241 FDWROVCRGWAQLW-LSDHHAIUSA-N 302.378 -0.016 30 20 DBED CCN1CCOC[C@@H]1C(=O)NCCN(C)c1cnc(C#N)cn1 1100219753 MHDPTWDUCMAWIC-CYBMUJFWSA-N 318.381 -0.379 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)[C@@H](C)OCC#C)C1 1100322019 AAKXOSZIKICCTM-IYXRBSQSSA-N 305.378 -0.742 30 20 DBED CN(CCNC(=O)C[C@H]1CCCC(=O)N1)c1ccc(C#N)nn1 1100412265 SAYVXEYIFUCOIO-LLVKDONJSA-N 316.365 -0.041 30 20 DBED CCN(CCNC(=O)C1CS(=O)(=O)C1)c1ccc(C#N)nn1 1100624065 RJBUOXXUQNKOMI-UHFFFAOYSA-N 323.378 -0.665 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)[C@@H](OC)C(C)C)C1 1100639794 ASXXVVLQCAJOOS-PIMMBPRGSA-N 309.410 -0.109 30 20 DBED N#CCNC(=O)CNC1CC(CNC(=O)Cc2cnc[nH]2)C1 1100706600 OMELWRBRWWPUHW-UHFFFAOYSA-N 304.354 -0.924 30 20 DBED N#Cc1cnc(N2CC[C@@H](CNC(=O)Cn3nccn3)C2)cn1 1101019068 HMUJIZSUTAGDFP-NSHDSACASA-N 312.337 -0.418 30 20 DBED CCCN(CCNC(=O)C1(C(N)=O)CC1)c1cncc(C#N)n1 1101230137 NAEULODVEFEBHM-UHFFFAOYSA-N 316.365 -0.054 30 20 DBED Cn1ncnc1COCC(=O)N1C[C@H]2CN(CC#N)C[C@@]2(C)C1 1101413345 ILVOJNCWXBLMJU-DOMZBBRYSA-N 318.381 -0.364 30 20 DBED CC(=O)NC(C)(C)C(=O)N(C)CCN=c1cc[nH]c(C#N)n1 1101693193 ZSCZQWYJWBWAIO-UHFFFAOYSA-N 304.354 -0.445 30 20 DBED COCC#CCN1C[C@@H](C)[C@H](CNC(=O)[C@@H](C)NC(C)=O)C1 1101701574 BTGYGRAXBXFZTH-UMVBOHGHSA-N 309.410 -0.155 30 20 DBED COCC#CCN1C[C@@H](C)[C@H](CNC(=O)C[C@H](C)NC(N)=O)C1 1101967873 MZKKBTLXVDRFMT-HZSPNIEDSA-N 324.425 -0.233 30 20 DBED CN(CCNc1cncc(C#N)n1)C(=O)CN1CCOCC1=O 1102011998 CYZVMPKQXSRUMO-UHFFFAOYSA-N 318.337 -0.923 30 20 DBED CC[C@H](CNC(=O)Cn1cnnn1)Nc1ccc(C#N)nc1 1102968352 BNZGCBYOPCUTLA-SNVBAGLBSA-N 300.326 -0.053 30 20 DBED C[C@H](CNc1ccc(C#N)nn1)N(C)C(=O)c1nnn(C)n1 1104763410 GLOQPMSSBGNLTM-MRVPVSSYSA-N 301.314 -0.556 30 20 DBED C=CCNCc1cn(C2CN(C(=O)[C@]3(C)CCNC3=O)C2)nn1 1105324979 AYHQGAIMIQGXDZ-OAHLLOKOSA-N 318.381 -0.537 30 20 DBED CN(CCN(C)c1ccc(C#N)nn1)C(=O)Cn1cnnc1O 1105387680 DGTQPCHUKFBDJI-UHFFFAOYSA-N 316.325 -0.760 30 20 DBED C#CCN1CC(OC2CCN(C(=O)C3(C(=O)NC)CC3)CC2)C1 1105726432 KTEGQSNKKUDEMZ-UHFFFAOYSA-N 319.405 -0.162 30 20 DBED Cc1[nH]ccc1C(=O)NC[C@H](O)CN=c1cc[nH]c(C#N)n1 1105785691 ZGLRHMZEIIPUOJ-SNVBAGLBSA-N 300.322 -0.391 30 20 DBED CNC(=O)CCCC(=O)NC[C@@H](O)CNc1ccc(C#N)nc1 1105795277 XOBYJXAOATWPEH-ZDUSSCGKSA-N 319.365 -0.241 30 20 DBED N#Cc1c(F)cccc1NC[C@@H](O)CNC(=O)CCNC(N)=O 1105853142 HXGQLJOQOCZRLK-SECBINFHSA-N 323.328 -0.355 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H](O)CNc1ccc(C#N)nn1 1105970612 KKAVZFKOERLUPV-CMPLNLGQSA-N 303.322 -0.724 30 20 DBED C=CC(C)(C)C(=O)NC[C@@H](O)CNc1nccn2nnnc12 1106051767 MENOZUNPQLRTNX-VIFPVBQESA-N 305.342 -0.380 30 20 DBED N#Cc1cnc(NC[C@@H](O)CNC(=O)Cc2cnc[nH]2)cn1 1106129157 CUPAVBFEYNORAZ-LLVKDONJSA-N 301.310 -0.797 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)C2(F)CCOCC2)nn1 1106150304 QNMYFFMANCOYEV-LLVKDONJSA-N 323.328 -0.244 30 20 DBED CCN(CCNc1ccc(C#N)nn1)C(=O)[C@@H]1CCNC1=O 1106910346 ZYCWJKKIJZSWAR-LLVKDONJSA-N 302.338 -0.255 30 20 DBED C#CCNC(=O)CC(=O)NC/C=C\CNc1cnc(C#N)cn1 1107130050 BNTNYCDEIQFGGL-ARJAWSKDSA-N 312.333 -0.428 30 20 DBED CN1CC[C@@H](C(=O)NC/C=C\CN=c2cc[nH]c(C#N)n2)C1=O 1107458927 BAQSHHDFIVOTGU-QUCGXOGASA-N 314.349 -0.667 30 20 DBED C[C@H](CNc1nccn2nnnc12)NC(=O)c1ccc(C#N)[nH]1 1107721280 FKKVJHTYTWHAJQ-MRVPVSSYSA-N 311.309 -0.051 30 20 DBED C=C(C)CN1CCO[C@](C)(CNC(=O)C2CS(=O)(=O)C2)C1 1107967231 QGOCWCNHHIQRHK-CQSZACIVSA-N 316.423 -0.186 30 20 DBED C[C@H](CNc1nccnc1C#N)NC(=O)CN1CCOCC1=O 1108179768 RLNQDNVZZQGDCF-SNVBAGLBSA-N 318.337 -0.876 30 20 DBED C=C(C)CN1CCO[C@@](C)(CNC(=O)C[C@@H]2CC(=O)NC2=O)C1 1108446724 HIGKFNBZPNONKZ-WBMJQRKESA-N 323.393 -0.178 30 20 DBED CCC(=O)NCC(=O)N[C@H](C)CN(C)c1ccc(C#N)nn1 1108880025 MLZCOIPIPJHJFN-SNVBAGLBSA-N 304.354 -0.185 30 20 DBED C#CCNC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cc[nH]n1 1108953988 ZQZSJQCGNKVPDB-RFHZTLPTSA-N 315.377 -0.117 30 20 DBED C[C@@H](CN(C)c1cncc(C#N)n1)NC(=O)[C@@H]1CCCNC1=O 1109127922 CMXPWVDFFBVEMF-CMPLNLGQSA-N 316.365 -0.185 30 20 DBED C[C@H](CC(N)=O)C(=O)NCC1(N=c2cc[nH]cc2C#N)CC1 1110298060 DVJFBTIHVLYXPH-SNVBAGLBSA-N 301.350 -0.053 30 20 DBED C[C@H]1C[C@H](Nc2ccc(C#N)nn2)CCN1C(=O)CNC(N)=O 1110507761 QTIRMGGXLRRKNE-VHSXEESVSA-N 317.353 -0.192 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C1(C(N)=O)CC1 1110967108 SEIWIXUCPDNLAQ-UPJWGTAASA-N 305.378 -0.377 30 20 DBED CNC(=O)CC(=O)N1C[C@@H]2CN(c3ccnc(C#N)n3)C[C@@H]2C1 1111292566 JRKOXDJLYGUVKJ-PHIMTYICSA-N 314.349 -0.621 30 20 DBED N#Cc1nc(=NCCN(CCO)C(=O)CC(F)(F)F)cc[nH]1 1111433543 FFICGEWCGGEWET-UHFFFAOYSA-N 317.271 -0.045 30 20 DBED COC[C@@H](C)C(=O)N1CCO[C@@H](CN=c2cc[nH]c(C#N)n2)C1 1111946939 OTADGNKYWSVUPJ-NEPJUHHUSA-N 319.365 -0.308 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(c2nccnc2C#N)C[C@H]1O 1112701279 FUPWAKFHPRGBJS-WCQYABFASA-N 317.349 -0.536 30 20 DBED Cc1nc(N2C[C@@H](O)[C@@H](CNC(=O)CC(N)=O)C2)ccc1C#N 1112724601 BFMAVYFUSXXJCE-NWDGAFQWSA-N 317.349 -0.950 30 20 DBED CCN(CCC#N)C(=O)CN1CCN(C(=O)c2ncc[nH]2)CC1 1112823659 IFCXVOWLGHJPBD-UHFFFAOYSA-N 318.381 -0.070 30 20 DBED C[C@@H](NC(=O)Cn1cncn1)[C@@H](C)Nc1cnc(C#N)cn1 1113030644 DWMWILQDZJPYLJ-NXEZZACHSA-N 300.326 -0.055 30 20 DBED COCC#CCN1CCN(C(=O)c2ccn(CCOC)n2)CC1 1113088248 TYHLOPIYSJZFKQ-UHFFFAOYSA-N 320.393 -0.063 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)[C@H](CC)N(C)C)CC1 1113353151 PIDXFUBYJQSMBG-KGLIPLIRSA-N 308.426 -0.391 30 20 DBED C[C@@H](CNC(=O)CS(C)(=O)=O)N(C)c1cnc(C#N)cn1 1113520898 KPKQENQGNATMLY-VIFPVBQESA-N 311.367 -0.666 30 20 DBED C[C@H](CNC(=O)[C@H]1COCCN1C)N(C)c1cnc(C#N)cn1 1113559658 BASGQJRPKIIARJ-DGCLKSJQSA-N 318.381 -0.380 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)C[C@H]3CCOC3)[C@H]2C1 1114780285 HPQOLZOOAOYGGL-AGIUHOORSA-N 307.394 -0.238 30 20 DBED C=CCO[C@H](C)C(=O)NC1[C@H]2CN(CC(=O)NCC#N)C[C@H]12 1115332840 QLQUNSNUFZWFKD-WOPDTQHZSA-N 306.366 -0.736 30 20 DBED C[C@H](NC(N)=O)C(=O)N(C)C[C@@H](C)Nc1ccc(C#N)nn1 1115674581 KYCITRANRTUIPI-BDAKNGLRSA-N 305.342 -0.336 30 20 DBED C[C@H](C#N)OCCSCC(=O)N[C@H]1CCS(=O)(=O)C1 1116959978 IYIKBYWKYOUXHF-ZJUUUORDSA-N 306.409 -0.048 30 20 DBED Cn1cc(C(=O)NC[C@H](CO)Nc2ccc(C#N)nc2)cn1 1121025152 PCQRFJWUFIHMBL-CYBMUJFWSA-N 300.322 -0.110 30 20 DBED Cc1nnsc1C(=O)NC[C@@H](CO)Nc1nccnc1C#N 1121056517 WUJSOHDRMCBABD-QMMMGPOBSA-N 319.350 -0.289 30 20 DBED C#CCCCC(=O)NC[C@@H](CO)Nc1ccc2nnnn2n1 1121372656 YNEIOCHFSAPATR-JTQLQIEISA-N 303.326 -0.788 30 20 DBED N#Cc1cncc(N[C@H](CO)CNC(=O)Cn2ccnc2)n1 1121718856 RGXAZYZYMJWZBF-NSHDSACASA-N 301.310 -0.866 30 20 DBED Cn1cncc1CC(=O)NC[C@@H](CO)Nc1cncc(C#N)n1 1121801986 YIUSSEKHRDAEJA-NSHDSACASA-N 315.337 -0.787 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)Cc2nc[nH]n2)nc1 1121993728 LFLGOMBLXIBPAP-JTQLQIEISA-N 301.310 -0.797 30 20 DBED CO[C@H](C(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1)C1CCC1 1122364861 PGJDTKMIVCBLJF-FZMZJTMJSA-N 319.365 -0.526 30 20 DBED C[C@@H]1CC[C@H](C(=O)NC[C@H](CO)N=c2cc[nH]c(C#N)n2)O1 1122658953 FANYEXAAJXGHEW-GMTAPVOTSA-N 305.338 -0.773 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)CCc1ccco1 1123423953 QNGBCSCCKBGNJT-UHFFFAOYSA-N 322.365 -0.070 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)CCn1cncn1 1123676699 VLTJQWYJPMPBNU-UHFFFAOYSA-N 320.397 -0.425 30 20 DBED CCN(C)CCC(=O)N(C)C[C@@H](O)CNc1nccnc1C#N 1124493421 RXDAPVRSELXMOD-LBPRGKRZSA-N 320.397 -0.079 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CCOC1 1124513566 AEMINICISPPETG-GHMZBOCLSA-N 312.370 -0.871 30 20 DBED CNC(=O)NCC(=O)N(C)C[C@H](O)CNc1ccc(C#N)nc1 1124845491 PZJKEEHQKSCYFW-GFCCVEGCSA-N 320.353 -0.887 30 20 DBED C[C@H](C#N)C(=O)N(C)C[C@H](O)CN(C)c1ncnc2[nH]cnc12 1124988772 NCWDJTSFRJGVMP-NXEZZACHSA-N 317.353 -0.232 30 20 DBED C#CCCCC(=O)NCCNC[C@H](O)CO[C@@H](C)COC 1126339259 ULOGDMYINFQCML-KBPBESRZSA-N 300.399 -0.092 30 20 DBED CC(C)C#CC(=O)NCCNCc1nc(O)c2cnn(C)c2n1 1126834626 VIQQXBFVMDXSHL-UHFFFAOYSA-N 316.365 -0.066 30 20 DBED CN(C)CC1(C(=O)N2C[C@H](n3ccnn3)[C@H](NCC#N)C2)CC1 1129982258 AXXCBEULEGCSRF-OLZOCXBDSA-N 317.397 -0.515 30 20 DBED C=CCOCC(=O)N[C@@H]1CC[C@H](C)N(Cc2nc(=O)n(C)[nH]2)C1 1131946205 HSENFPMOEXOHGR-NWDGAFQWSA-N 323.397 -0.220 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)CN2CC[C@@H](C)C2)C1=O 1133845467 GNOKGJFKYBFBKT-ZIAGYGMSSA-N 308.426 -0.179 30 20 DBED C=CCOCCNCCNC(=O)C1CCS(=O)(=O)CC1 1134664901 DDOYCXBUFHEJKC-UHFFFAOYSA-N 304.412 -0.280 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)C(=O)N1CCC[C@@H](C)C1 1134878160 RVYHUWDXVVNVBD-CHWSQXEVSA-N 324.425 -0.359 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)C[C@H]2CCC(=O)N2)C1=O 1135218587 JWWNQPUOWSWBIK-VXGBXAGGSA-N 308.382 -0.852 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)Cc1ccco1 1135587239 QUNUWXBFBUOMEQ-UHFFFAOYSA-N 308.338 -0.460 30 20 DBED C=CCOCCNCCNC(=O)Cc1c(C)nc(O)nc1O 1135669412 NUVBNHZHPMFIAA-UHFFFAOYSA-N 310.354 -0.353 30 20 DBED C[C@H](C[C@@H](C)NC(=O)CCn1cc[nH]c(=O)c1=O)NCC#N 1135688072 ZVUSVIRHNWBLAF-GHMZBOCLSA-N 307.354 -0.677 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)c1ccc[nH]1)C2 1146973260 CMRPIKVQNBCWSP-UHFFFAOYSA-N 300.362 -0.088 30 20 DBED CCCCN1CCCC[C@H]1C(=O)NCCNCC(=O)NCC#N 1147358265 DYHSUUZSABQDIT-AWEZNQCLSA-N 323.441 -0.013 30 20 DBED C=CCNC(=O)CNCCNC(=O)CCCOCCOCC 1147762313 XPNOOSHYHOWNQH-UHFFFAOYSA-N 315.414 -0.172 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)c1cnn2cc[nH]c12 1149049956 USNCXYDLDULUER-SNVBAGLBSA-N 304.354 -0.328 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)C[C@@H]1CCCCC(=O)N1 1149113292 QRRNDDNSLKMBAV-STQMWFEESA-N 324.425 -0.168 30 20 DBED C=CCN1CCCO[C@H](CNC(=O)C[C@H]2CC(=O)NC2=O)C1 1150842502 WKKGWRSEERYGBG-NWDGAFQWSA-N 309.366 -0.568 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H](C)N(CC)Cc1nc(C)no1 1152883142 RJNXLZFDNVJYSN-LLVKDONJSA-N 321.381 -0.156 30 20 DBED COCCOC[C@H](O)CNCCCNC(=O)C#CC(C)C 1157638988 UAAIPFYITKIMMH-CQSZACIVSA-N 300.399 -0.234 30 20 DBED C=CCC[C@@H](C)NCCCNC(=O)Cn1ccc(=O)n(C)c1=O 1159319209 WOAQVPBQPLKHFT-CYBMUJFWSA-N 322.409 -0.002 30 20 DBED CC[C@H]1OCCC[C@@H]1C(=O)NCCCNCC(=O)NCC#N 1159621881 VVQBEIGRYVUKRE-QWHCGFSZSA-N 310.398 -0.073 30 20 DBED N#CCNC(=O)CNCCCNC(=O)c1cccc2c1OCC2 1167229357 CZNFTAAGHRVIOU-UHFFFAOYSA-N 316.361 -0.029 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@@H]1CCc2n[nH]cc2C1 1171047190 UMUCIVXIJPGKKK-GFCCVEGCSA-N 317.393 -0.640 30 20 DBED C#CCNC(=O)CNCCCNC(=O)CCCN(C)C(C)=O 1174784768 VFJRTXUUTPVJCO-UHFFFAOYSA-N 310.398 -0.910 30 20 DBED CN1CCC[C@H]1CCC(=O)N1CC[C@@H](NCC(=O)NCC#N)C1 1183390166 IRYFHRKMZWLEHU-KGLIPLIRSA-N 321.425 -0.309 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2c(C)cnn2C)C1 1184962241 SOERVUPAOWSEFB-GFCCVEGCSA-N 303.366 -0.718 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)[C@H]1CCN(C(=O)Cn2ccnc2)C1 1194461149 WDIZTAPOEAJXMF-KGLIPLIRSA-N 317.393 -0.446 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)CCn2ccnn2)CC1 1195621120 VMYZSZVHZNJEIB-UHFFFAOYSA-N 320.397 -0.495 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCCN(Cc2nc(=O)n(C)[nH]2)CC1 1195652702 URDWAXMSWFRJJN-OAHLLOKOSA-N 323.397 -0.530 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)CCc2cnn(C)c2)C1 1199017916 NITVZKKURDIMAK-HUUCEWRRSA-N 320.393 -0.836 30 20 DBED C[C@@H](C(=O)N1CCC(NCC(=O)NCC#N)CC1)n1cncn1 1200118763 TUMXKJSUMFBPLK-NSHDSACASA-N 319.369 -0.941 30 20 DBED C#CCNC(=O)CN[C@@H]1C[C@H](NC(=O)COCC=C)C12CCC2 1202634766 UZMJIPLHQZAFDU-KGLIPLIRSA-N 319.405 -0.045 30 20 DBED CC#CCNC1CCN(C(=O)C(C)(C)NS(C)(=O)=O)CC1 1202826393 ABDIHMJYFVLFAH-UHFFFAOYSA-N 315.439 -0.082 30 20 DBED CC#CCN[C@H]1C[C@H]2CC[C@H]1N(C(=O)Cn1cnnc1O)C2 1204212837 WKJWJRWGNUGHQH-FRRDWIJNSA-N 303.366 -0.024 30 20 DBED Cn1cnnc1COCC(=O)N1C[C@H]2CC[C@H]1[C@H](NCC#N)C2 1204845389 UPEGLSUFUHEBDX-XQQFMLRXSA-N 318.381 -0.176 30 20 DBED C[C@@H](NCC1CCN(C(=O)C#CC2CC2)CC1)C(=O)NC(N)=O 1205230574 QSNYVRIMDHIMSE-LLVKDONJSA-N 320.393 -0.189 30 20 DBED CC#CCNCC1CCN(C(=O)CCCS(N)(=O)=O)CC1 1206100663 MZJXAACIRFFHNW-UHFFFAOYSA-N 315.439 -0.093 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)c2cn[nH]c2)[C@H](C)C1 1206205221 PRCREVGJQGTNDF-NQBHXWOUSA-N 303.366 -0.402 30 20 DBED C=C(C)CN1C[C@@H](NC(=O)CNC(=O)CNC(C)=O)[C@H](C)C1 1207736532 TUFREZDFXGKLNT-DGCLKSJQSA-N 310.398 -0.749 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)C[C@H]2COC(=O)C2)C1 1207795652 KYHSCKGIXYXLMC-CHWSQXEVSA-N 321.377 -0.730 30 20 DBED N#CCNC(=O)CN[C@H]1CCCN(C(=O)Cc2cnoc2)C1 1209214011 WSCZZINCKAKNHV-LBPRGKRZSA-N 305.338 -0.563 30 20 DBED Cc1nonc1C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C 1211458763 PATDGKLKJNDMJE-PSASIEDQSA-N 306.326 -0.932 30 20 DBED CC[C@@H](C(=O)N[C@@H]1CN(CC#N)C[C@H]1OC)N1CCCC1=O 1213882328 RTYCRWOXIHMFKZ-FRRDWIJNSA-N 308.382 -0.274 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](NCCNS(C)(=O)=O)[C@H](C)C1 1214578493 QIIRKILZTKSLDG-CHWSQXEVSA-N 315.439 -0.369 30 20 DBED CC#CCN[C@@H]1CN(C(=O)c2cn(CCOC)nn2)C[C@H]1C 1214602248 NLGCJAGXKOPXFT-CHWSQXEVSA-N 305.382 -0.002 30 20 DBED CCN1CCOC[C@H]1C(=O)N1C[C@@H](NCC#CCOC)[C@H](C)C1 1215020541 WIBMPMCDBIPKAN-OAGGEKHMSA-N 323.437 -0.207 30 20 DBED COCC(=O)N[C@H](C(=O)N1C[C@@H](NCC#N)[C@H](C)C1)C(C)C 1215821278 PMPZMBZOJJRWGF-BZPMIXESSA-N 310.398 -0.266 30 20 DBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)COC[C@@H]1CCOC1 1218715500 HNEXTOJQUJAVDT-OWCLPIDISA-N 322.405 -0.026 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)CCC2CCCC2)C1 1219137202 DHLVPFCJPCFSQW-CABCVRRESA-N 321.421 -0.133 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)c2ccoc2C)C1 1219158858 SHFWVZZQPBUEDO-GDLCADMTSA-N 319.361 -0.499 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)CC[C@@H]2CCOC2)C1 1219450529 RGNQLADKRVPBAK-KFWWJZLASA-N 310.394 -0.386 30 20 DBED C[C@H](c1nnnn1C)N1C[C@H](O)[C@H](NC(=O)C#CC(C)(C)C)C1 1219598349 UNBLMGGEYJJNDL-UTUOFQBUSA-N 320.397 -0.518 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2ncccn2)C[C@@H]1O 1219605135 JZHWYQSFMMHLAV-XQQFMLRXSA-N 304.350 -0.824 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2nccs2)C[C@@H]1O 1219605302 OIKNALCYQSHSGP-TUAOUCFPSA-N 309.391 -0.157 30 20 DBED C=C(C)CCC(=O)N[C@@H]1CN(CCS(C)(=O)=O)C[C@@H]1O 1219715985 UNPDHQVKPIMQCI-NEPJUHHUSA-N 304.412 -0.451 30 20 DBED C=CCC1(C(=O)N[C@@H]2CN(CC(=O)N(C)C)C[C@@H]2O)CCC1 1220293366 FBFNPIHRLQFDAH-OLZOCXBDSA-N 309.410 -0.018 30 20 DBED C=CCNC(=O)CN1CC[C@@H]2CN(C(=O)[C@@H]3CCCN3C)[C@@H]2C1 1221446774 UTCIUDFJQMXWBP-QLFBSQMISA-N 320.437 -0.085 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CCN(C(=O)[C@H](C)OC)C[C@@H]21 1222348325 LTOJRAGSZYCMSZ-MJBXVCDLSA-N 307.394 -0.307 30 20 DBED C#CCN1CCC(CNC(=O)CCc2nnc(O)nc2O)CC1 1223719543 CFCQFKQPQFISNV-UHFFFAOYSA-N 319.365 -0.323 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CN(C)C(C)=O 1224922896 LZMAHBIKMBALDV-ZIAGYGMSSA-N 324.425 -0.216 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)c2cccn2C)CC1 1226047794 NTHLQMPWNLFUAS-UHFFFAOYSA-N 302.378 -0.031 30 20 DBED C=CCOCC(=O)NCC[C@@H]1CN(CC#N)CCS1(=O)=O 1230435366 DWHVXEYMCHIMQN-GFCCVEGCSA-N 315.395 -0.682 30 20 DBED C=CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)c1cnsn1 1230876803 QAKQNMXRQGOPNW-SNVBAGLBSA-N 309.395 -0.013 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)[C@]2(CC)CCNC2=O)C1 1267012177 AGDXDWLBLZHYMZ-BLLLJJGKSA-N 322.409 -0.605 30 20 DBED N#CC1(CNC(=O)C(=O)Nc2cccc(OCC(N)=O)c2)CC1 1321263188 QSYRWNLXHUJJJE-UHFFFAOYSA-N 316.317 -0.091 30 20 DBED CO[C@@H]1[C@H](C)[C@H](NC(=O)C(=O)N2CCO[C@@H](C#N)C2)C1(C)C 1323764058 QGMQAAQLJRBJIB-NOOOWODRSA-N 309.366 -0.087 30 20 DBED COCC[C@@H]1COCCN1C(=O)C(=O)Nc1cnn(CC#N)c1 1324717628 CCTUDAWSNDJFLU-GFCCVEGCSA-N 321.337 -0.391 30 20 DBED Cc1cn2c(=O)c(C(=O)NCC(=O)NCC#N)cnc2s1 1326480545 NAOCUOTVIQFIRL-UHFFFAOYSA-N 305.319 -0.566 30 20 DBED Cc1nccn1CCCCNC(=O)C(=O)N1CCO[C@@H](C#N)C1 1329178182 HEPWZEBBELRFHW-ZDUSSCGKSA-N 319.365 -0.161 30 20 DBED C[C@@H]1CNCCN1C(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1329454433 QYDDKDIIKSDLNU-DGCLKSJQSA-N 305.382 -0.995 30 20 DBED C#C[C@@H](NC(=O)C(=O)N1CCC[C@H](C(=O)O)C1)[C@@H]1CCCO1 1331508960 PUDGHEURVKOSJA-TUAOUCFPSA-N 308.334 -0.393 30 20 DBED C=CCN(C)c1nnnn1C[C@H]1CCN(S(C)(=O)=O)C1 1332535576 FNKRYFZLCUYYMN-JTQLQIEISA-N 300.388 -0.423 30 20 DBED C=CCOC[C@H](NC(=O)C(C)(C)N1CCOCC1)C(=O)O 1333333806 DZAUILMKHKUSQH-NSHDSACASA-N 300.355 -0.131 30 20 DBED C#CCOCCn1nnnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1334469870 LBMSRQKAMIZMPO-OCCSQVGLSA-N 307.354 -0.293 30 20 DBED C=CCS(=O)(=O)CCn1nnnc1N1CCCO[C@@H](C)C1 1334770181 PCEBZUWVSOCCAL-NSHDSACASA-N 315.399 -0.111 30 20 DBED COCCCNC(=O)[C@@H](C#N)C(=O)[C@H]1CCc2nnn(C)c2C1 1343386578 KOJUSJMQQWXLAS-QWRGUYRKSA-N 319.365 -0.218 30 20 DBED COC(=O)Cn1ncc(NC(=O)C(=O)NC[C@H](C)C#N)c1C 1344442239 MGEZUETWFMQPHR-MRVPVSSYSA-N 307.310 -0.421 30 20 DBED C=CCS(=O)(=O)CCNC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1358111841 OTRHZMCURDQNMF-SDDRHHMPSA-N 303.380 -0.245 30 20 DBED CO[C@@](C)(C(=O)NCCn1cc(C#N)c(O)nc1=O)C1CC1 1363285419 FOZIGSOAYJCTSS-CQSZACIVSA-N 306.322 -0.248 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)c2ccnc3c(C(N)=O)cnn23)C1 1363520686 ILGCQGAHMKAXJN-CQSZACIVSA-N 314.305 -0.681 30 20 DBED N#Cc1cccc(CNC(=O)CN2CC[C@@H](O)[C@H](CO)C2)c1 1363816889 PWAYRYGVTKULFP-LSDHHAIUSA-N 303.362 -0.150 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@H]1COC[C@H]1OC 1363998416 MICWGLSMMLOZEW-WDEREUQCSA-N 307.372 -0.903 30 20 DBED N#CCC1(CS(=O)(=O)NCCN2CCNC(=O)C2)CC1 1364818803 MMWBQMXNQAUJEL-UHFFFAOYSA-N 300.384 -0.969 30 20 DBED CN(CCN(C)C(=O)c1cc(C#N)c[nH]1)C(=O)CCNC(N)=O 1376234063 PSYNPPKCAWGAAV-UHFFFAOYSA-N 320.353 -0.525 30 20 DBED C[C@@H](C#N)C(=O)NC1CN(CC(=O)NC(=O)NC2CCCC2)C1 1391422120 TZBHOTAULXYGNQ-JTQLQIEISA-N 321.381 -0.285 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNCc1cccc(C(N)=O)c1 1392366275 PHLHRLMJGHDBEX-ZWNOBZJWSA-N 304.350 -0.488 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)CCc1ccncn1 1399836522 SZPCRYCQZLGXPX-JQWIXIFHSA-N 305.338 -0.838 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@@H](O)CNC(=O)c2cccnc2)c1 1410025077 GYSOOOFTRGLOEW-LBPRGKRZSA-N 313.317 -0.198 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@](C)(CNC(=O)CCNC(N)=O)C1 1411118630 LUPOYPIWQVAUQG-XHDPSFHLSA-N 323.397 -0.051 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)NC[C@H]1CCCN(C(N)=O)C1 1413354398 GESQHUFVFJJWBW-GHMZBOCLSA-N 317.415 -0.155 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@@H](CNC(=O)CCn2ccnn2)C1 1414186403 SDCBTQSBPLJQCX-SDDRHHMPSA-N 304.354 -0.161 30 20 DBED CCN(CCC#N)C(=O)CN[C@H](C)CNC(=O)[C@H]1CCC(=O)N1 1419718551 XEAXWFFGGYXIGD-VXGBXAGGSA-N 323.397 -0.879 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H](CNC(=O)Cn2cncn2)C1 1430304795 RMZXWGFVHBEQQU-RYUDHWBXSA-N 304.354 -0.207 30 20 DBED C[C@@H](C#N)C(=O)NC[C@]1(C)CCN(C(=O)c2c[nH]c(=O)cn2)C1 1453978710 VIQGTOKDGLXQQQ-BONVTDFDSA-N 317.349 -0.102 30 20 DBED Cn1c(C#N)ccc1C(=O)N1CCC(C(=O)NCCO)CC1 1454264278 RRKXSJKKKWKOPC-UHFFFAOYSA-N 304.350 -0.143 30 20 DBED C[C@H](C#N)C(=O)NC1CN(C(=O)[C@H]2CCCN(C(N)=O)C2)C1 1456388398 CQBLJUSPOSNFHA-ZJUUUORDSA-N 307.354 -0.736 30 20 DBED CCOC(=O)CC1(NS(=O)(=O)N(C)C[C@H](C)C#N)COC1 1475777187 OOKRECFUJMMUOJ-SNVBAGLBSA-N 319.383 -0.366 30 20 DBED N#CCN1CCC[C@H](NC(=O)CCc2nnc(O)nc2O)C1 1481535779 UGKXTTSPKRLREJ-VIFPVBQESA-N 306.326 -0.680 30 20 DBED CCN(CCC#N)C(=O)CN1CC(NC(=O)c2cc(C)[nH]n2)C1 1481545782 ZOGZHDQBGQRDND-UHFFFAOYSA-N 318.381 -0.106 30 20 DBED COCC#CCN[C@H]1CCN(C(=O)CNC(=O)C(C)(C)C)C1 1491769833 ZLWDAVHPNQELBT-ZDUSSCGKSA-N 309.410 -0.011 30 20 DBED CNC(=O)NCC(=O)NC[C@H]1CCCCCN1C(=O)[C@@H](C)C#N 1509356107 IIGOYCNDZMQWKH-NWDGAFQWSA-N 323.397 -0.038 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)[C@H](C)CS(C)(=O)=O)CC1 1535534587 DIJWTEUMSOLCAO-VHSXEESVSA-N 315.395 -0.408 30 20 DBED C=CCCCC(=O)NC1(CCO)CN(C(=O)CNC(=O)O)C1 1573357847 UNSWZVPLYCFVCE-UHFFFAOYSA-N 313.354 -0.310 30 20 DBED C=CCNC(=O)CNC1(C)CCN(C(=O)[C@@H]2C[C@H]2C(=O)O)CC1 1573367824 BIQMMXUBFABPOE-VXGBXAGGSA-N 323.393 -0.020 30 20 DBED CC(C)C#CC(=O)N1CC[C@H](NCC(=O)NCc2cnn[nH]2)C1 1575318665 NTRFJBBCPNIYNK-LBPRGKRZSA-N 318.381 -0.729 30 20 DBED CN(C)CC#CCNC(=O)N[C@@H]1CC2(CNC2)n2ccnc21 1578413478 PJYUOMLBSSXUSA-GFCCVEGCSA-N 302.382 -0.509 30 20 DBED C#C[C@@H](C)NC(=O)C(=O)N1CCc2ccc(-c3nn[nH]n3)cc21 1588326732 TVCRPAKZVPVJES-SECBINFHSA-N 310.317 -0.106 30 20 DBED C#CCOCCC(=O)N(C)[C@@H](C)CN=c1cc[nH]c(C(=O)O)n1 1588490564 PQCJPWQMMYVFIH-NSHDSACASA-N 320.349 -0.105 30 20 DBED CCNC(=O)CSc1nc(N)c(C#N)cc1-c1nn[nH]n1 1590742350 LPZMYHAXAMNURB-UHFFFAOYSA-N 304.339 -0.056 30 20 DBED CN1C(=O)CC[C@@H](Nc2cnc(C#N)c(-c3nn[nH]n3)n2)C1=O 1591163469 KSXXRFHXYOMNJZ-ZCFIWIBFSA-N 313.281 -0.912 30 20 DBED CC(C)C[C@H](NC(=O)Cn1c(=O)c(C#N)cn(C)c1=O)C(=O)O 1591178686 SVIQSRCUHZGOAO-JTQLQIEISA-N 322.321 -0.966 30 20 DBED N#C[C@H]1CN(S(=O)(=O)c2ccc(-c3nn[nH]n3)o2)CCO1 1592671264 BKSFGBDQJOSJHQ-ZETCQYMHSA-N 310.295 -0.627 30 20 DBED N#Cc1ccnc(N2CCN(C(=O)[C@@H](N)CC(=O)O)CC2)c1 1601127078 BQTANNYVTQZVPU-NSHDSACASA-N 303.322 -0.596 30 20 DBED C#CC[C@H](NC(=O)c1ccc(-c2nn[nH]n2)c(O)c1)C(=O)OC 1602696382 AKWTUMCTJNCCKP-JTQLQIEISA-N 315.289 -0.133 30 20 DBED C[C@]1(CC(=O)N2CCC[C@@H]2CNCC#N)CCS(=O)(=O)N1 1671373665 QUEWVIWGHLDULF-DGCLKSJQSA-N 314.411 -0.438 30 20 DBED C#CCNC(=O)CN[C@@H](C)CCNC(=O)c1ccc(O)nn1 1733899254 ZEZPEQNJTUWHRH-JTQLQIEISA-N 305.338 -0.970 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCC(N(C)C(=O)CNC(C)=O)CC1 1752290364 MRUNHUWHTLOSMT-GFCCVEGCSA-N 324.425 -0.264 30 20 DBED C#CCN1CCN(CCNC(=O)[C@H](OC)[C@@H]2CCOC2)CC1 1752371110 QAQMWHKSODJBKA-HUUCEWRRSA-N 309.410 -0.595 30 20 DBED C#CCNCC[C@H]1CCCN(C(=O)[C@@H](C)NS(C)(=O)=O)C1 1753556674 UWGFMLMXSVTZFV-CHWSQXEVSA-N 315.439 -0.224 30 20 DBED C#CCNC(=O)CNC[C@@H](C)CNC(=O)c1cnc(C)n1C 1753636786 ARNNUNXCKBUTEY-LLVKDONJSA-N 305.382 -0.567 30 20 DBED CO[C@H](C(=O)NC[C@@H]1CN(CC#N)CCO1)c1cnn(C)c1 1753651539 OZADTUGWZKMUIA-OLZOCXBDSA-N 307.354 -0.552 30 20 DBED C[C@H](CNCC(=O)NC[C@@H]1CCOC1)N(C)C(=O)C#CC1CC1 1753690453 WPMJRJKTILWUHJ-HIFRSBDPSA-N 321.421 -0.011 30 20 DBED C#CCCN[C@H](CNC(=O)c1cn(CC(N)=O)nn1)C(C)C 1753845768 QLIVBPHINNTPGW-LLVKDONJSA-N 306.370 -0.869 30 20 DBED COCC#CCNC[C@H](NC(=O)c1cnn(C)c1N)C1CC1 1754439043 AWENRTCTIWDOIF-ZDUSSCGKSA-N 305.382 -0.250 30 20 DBED C#CCN(C(=O)Cc1cc[nH]n1)C1CCN(CC(N)=O)CC1 1754636892 QNQVNQKSXYHACR-UHFFFAOYSA-N 303.366 -0.636 30 20 DBED CCCNC(=O)NC(C)(C)C(=O)NCC1(O)CN(CC#N)C1 1754779838 SDXBXPCKUGNEPI-UHFFFAOYSA-N 311.386 -0.839 30 20 DBED C#CCN1CCC[C@@](CO)(NC(=O)[C@H](C)CN2CCOCC2)C1 1754860319 DHNREIKRMCLQJW-NVXWUHKLSA-N 323.437 -0.469 30 20 DBED C#CCOCCC(=O)N1CCO[C@H](CN[C@@H](CC)C(N)=O)C1 1755002449 RDPRRMVACAQMMK-OLZOCXBDSA-N 311.382 -0.893 30 20 DBED C=C(C)CNC[C@H]1CN(C(=O)CCn2ncn(C)c2=O)CCO1 1755004407 AKYJTIDTAIBULJ-ZDUSSCGKSA-N 323.397 -0.635 30 20 DBED C=C[C@@](C)(O)CC(=O)NC1CC(CNCC(=O)NCC#N)C1 1755210453 PYOGRDXJEARJLS-KOHJWAIASA-N 308.382 -0.562 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC(CCO)(NC(=O)C#CC2CC2)C1 1755331202 HKNBXQKYJFIRDF-CYBMUJFWSA-N 317.389 -0.909 30 20 DBED Cc1ncc(C(=O)N[C@H](C)C2CN(CC(=O)NCC#N)C2)n1C 1755383709 XGXFRDAJHUZHFY-SNVBAGLBSA-N 318.381 -0.582 30 20 DBED Cn1cncc1C(=O)N[C@H]1C[C@H](CNCC(=O)NCC#N)C1 1755474426 IWOHEEDYGZAIIB-XYPYZODXSA-N 304.354 -0.842 30 20 DBED C#CCNC(=O)CN(C)C1CCN(C(=O)c2cnco2)CC1 1755532875 ZYVJSNGRJBNPDK-UHFFFAOYSA-N 304.350 -0.040 30 20 DBED C[C@H]1[C@H](NCC(=O)NCC#N)CCN1C(=O)c1cn(C)cn1 1755649705 BQPBVFCRFHXEDN-WDEREUQCSA-N 304.354 -0.748 30 20 DBED N#CCNCCC(=O)NC[C@H]1CCCCN1C(=O)c1cnon1 1755867457 NIXHIONCXBGMIB-LLVKDONJSA-N 320.353 -0.316 30 20 DBED C[C@@H](CNC(=O)c1cn(C)c(=O)n1C)N(C)C(=O)C#CC1CC1 1756038559 XHYNXNQOOBHGBA-NSHDSACASA-N 318.377 -0.286 30 20 DBED CC(C)C#CC(=O)N[C@H](C)CN(C)C(=O)[C@@H]1CN(C)CCO1 1756440929 HMRCGKLRCFQVOD-KGLIPLIRSA-N 309.410 -0.061 30 20 DBED C=CCCC1(C(=O)N[C@H](CO)CNC(=O)[C@@H]2CCNC2=O)CC1 1756540495 NYCZUOOVYBFKRM-NWDGAFQWSA-N 323.393 -0.538 30 20 DBED C=CCOCC(=O)N[C@H]1C[C@@H](C)N(C(=O)CS(C)(=O)=O)C1 1756579330 CLXKZJKLTAVXNB-MNOVXSKESA-N 318.395 -0.661 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@H]1C[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 1757316954 CHLWWNNQLXHZQI-XMQPUEPBSA-N 323.393 -0.554 30 20 DBED N#CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(N)=O)C[C@@H]21 1786368216 ASIFUOGLPLMGMM-SRVKXCTJSA-N 322.365 -0.855 30 20 DBED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)[C@@H]2CCCCO2)C1 1841105503 DKOHSSUJRRVFGY-LBPRGKRZSA-N 320.345 -0.153 30 20 DBED C=CCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1C(=O)CNC1=O 1848034607 WXJOULNMANCTTI-QWRGUYRKSA-N 320.349 -0.684 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN([C@H](C)C(=O)NC2CC2)CC1 42570851 QERBBHSNDFFDJY-CHWSQXEVSA-N 306.410 -0.591 30 20 DBED CN(C)S(=O)(=O)/N=C(\O)c1ccccc1OCC(N)=O 48868898 UJTIURSTELSULA-UHFFFAOYSA-N 301.324 -0.338 30 20 DBED CCOC(=O)C1CCN(C(=O)CN(C)CC(=O)NCC#N)CC1 66497851 XYDKZFWMUNZNGX-UHFFFAOYSA-N 324.381 -0.640 30 20 DBED CCn1c(=O)[nH]c2cc(C(=O)[C@@H](C#N)C(=O)NC)ccc2c1=O 121417498 VUYUQCZFWXTRFF-SNVBAGLBSA-N 314.301 -0.222 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(CC[C@H]2CCOC2=O)c1=O 177567796 QNUOHPHLBMHQMR-NSHDSACASA-N 321.333 -0.503 30 20 DBED C=CCNC(=O)CNC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C 271980382 MLXFVMGHRYXJFH-SNVBAGLBSA-N 305.400 -0.631 30 20 DBED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CC[C@@H](O)C2)cc1 290597385 VALUBRDISLOCTR-LLVKDONJSA-N 309.347 -0.570 30 20 DBED CC#CCN(C)S(=O)(=O)c1cnc2c(c1)c(=O)nc(O)n2C 294128480 NQKSFLDJJUMDGL-UHFFFAOYSA-N 322.346 -0.322 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2CCC[C@](C)(O)C2)C1=O 297971003 VZTILEYNWNSEIP-WBMJQRKESA-N 323.393 -0.395 30 20 DBED CC1(C#N)CN(C(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)C1 330158913 QJTOJLDXSDLFAO-ZDUSSCGKSA-N 320.393 -0.461 30 20 DBED C[C@H](CCS(C)(=O)=O)N/C(O)=N/C[C@H]1CN(C)CCO1 331021898 KTNWDHJIXOJTKU-MNOVXSKESA-N 307.416 -0.356 30 20 DBED CN(C[C@@H]1CCCOC1)S(=O)(=O)N1CCO[C@@H](C#N)C1 337096101 QWUYGXQHVZCEHJ-RYUDHWBXSA-N 303.384 -0.186 30 20 DBED CCN(CCCN(C)C)S(=O)(=O)N1CCO[C@@H](C#N)C1 337162438 VPMXCYXXEAGOCM-LBPRGKRZSA-N 304.416 -0.271 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@H]2C(=O)OC)CC1 340007419 ZRUCWWKBXZBHEP-VXGBXAGGSA-N 309.366 -0.758 30 20 DBED N#CCNC(=O)CNC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 343508490 POBGCJGHGCGHMC-ZETCQYMHSA-N 306.244 -0.847 30 20 DBED CC[C@](C)(C#N)C(=O)N[C@@H](C)C(=O)N1CCS(=O)(=O)CC1 352429604 ZJMYPCJFYSLLGW-GXFFZTMASA-N 315.395 -0.312 30 20 DBED CN1CCc2ccc(NC(=O)C(=O)NCC(=O)NCC#N)cc21 357305265 JFPZJWQMCKTSSG-UHFFFAOYSA-N 315.333 -0.627 30 20 DBED C[C@H](c1ccccc1)[C@H](NC(=O)Cn1cnc(C#N)n1)C(N)=O 359239470 LAPIOTNFKBJRCP-YGRLFVJLSA-N 312.333 -0.076 30 20 DBED C=CCOc1cccc(NC(=O)C(=O)NCCn2ncnn2)c1 359380804 NCIZXPUWJJVJLD-UHFFFAOYSA-N 316.321 -0.007 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CCC[C@H](C)[C@@H]2CN)nn1 424551684 WVNGXIIMOHSFRP-AAEUAGOBSA-N 320.397 -0.334 30 20 DBED C[C@H]1CN(C)CCN1C(=O)C(=O)Nc1ccn(CCC#N)n1 440268987 PONYOXJXFPSVFT-NSHDSACASA-N 304.354 -0.102 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@@H](OC)[C@H](C)CC)CC1 491703668 NXWYMLAGTYYKCA-HIFRSBDPSA-N 309.410 -0.059 30 20 DBED CN(C)[C@H]1CN(C[C@H](O)COc2ccccc2C#N)C[C@@H]1O 528509404 LKHPPDWNGPLQBR-KKUMJFAQSA-N 305.378 -0.095 30 20 DBED CCOC[C@H]1CN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CCO1 528533771 AJSJAYQHPLIEQY-NWDGAFQWSA-N 319.383 -0.807 30 20 DBED CC(C)N(CCC#N)C(=O)CNS(=O)(=O)c1cn(C)cn1 532296661 XYWOMUPHTVRAPN-UHFFFAOYSA-N 313.383 -0.151 30 20 DBED C[C@@H]1CN(C(=O)NCCn2cnc(C#N)n2)C[C@@]2(CCOC2)O1 553968639 DJUGAVVSXOIUGY-BXUZGUMPSA-N 320.353 -0.261 30 20 DBED C[C@@H](CN1CCOCC1)N(C)C(=O)NCCn1cnc(C#N)n1 571831697 YPBYXBVTAZRYBK-LBPRGKRZSA-N 321.385 -0.488 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 577498173 MHVNBTHEFMTEBY-NXEZZACHSA-N 324.428 -0.911 30 20 DBED N#Cc1ncn(CC(=O)N(CCN2CCOCC2)CC2CC2)n1 598343768 XIVRDJOWKGSSBO-UHFFFAOYSA-N 318.381 -0.279 30 20 DBED C[C@H](C(=O)N(CCC#N)CCN1CCOCC1)[C@@H]1CCC(=O)N1 599230253 OEJPHAPOCHVOMA-KBPBESRZSA-N 322.409 -0.024 30 20 DBED CN(CCC#N)S(=O)(=O)N1CCC[C@@H](N2CCOCC2)C1 601424485 KJKPLFQNBCPZFO-CYBMUJFWSA-N 316.427 -0.127 30 20 DBED Cn1cc(C#N)c(NC(=O)NCCCN2C(=O)CNC2=O)n1 610565120 ZYOOSLGGTPLUSP-UHFFFAOYSA-N 305.298 -0.645 30 20 DBED C=C[C@@H](C(=O)OC)N1CCN(C(=O)CN2CCOCC2)CC1 619715764 MANVLLOOFXFJSP-ZDUSSCGKSA-N 311.382 -0.810 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@H](C)[C@](C)(CO)C2)C1=O 620450375 CHCCBEAHPUBEDB-BONVTDFDSA-N 323.349 -0.560 30 20 DBED C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[C@H]2CCN[C@H]2C1 644225720 SATDLDMKBFQNTG-RFGFWPKPSA-N 307.394 -0.096 30 20 DBED C=C(C)COCCNC(=O)N[C@H]1CS(=O)(=O)C[C@H]1OC 660908357 YRJALKHFUVDARD-WDEREUQCSA-N 306.384 -0.310 30 20 DBED C#CCCCS(=O)(=O)N(C)[C@@H]1CCN(S(C)(=O)=O)C1 710090671 OJIOAZUVPYXHGR-LLVKDONJSA-N 308.425 -0.305 30 20 DBED CCS(=O)(=O)N1CCC[C@H](C(=O)OCC(=O)NCC#N)C1 731242749 MGMXDEUJJMXQJJ-JTQLQIEISA-N 317.367 -0.769 30 20 DBED C=CCOCC(=O)NCCNc1ccc(-c2nn[nH]n2)cn1 735437865 RTTWZCMBYVASTK-UHFFFAOYSA-N 303.326 -0.008 30 20 DBED C[C@H]1CN(Cn2cccc(C#N)c2=O)CCN1S(C)(=O)=O 758249563 PJRHZYUWDJMUJG-NSHDSACASA-N 310.379 -0.357 30 20 DBED C#C[C@@H](NC(=O)NCCOCCS(C)(=O)=O)[C@H]1CCCO1 773321758 LLYGGKSDSPNPHZ-VXGBXAGGSA-N 318.395 -0.472 30 20 DBED CNS(=O)(=O)CCC(=O)OCC(=O)N[C@@](C)(C#N)C(C)C 783190322 JPTMXSQOHJUPFE-LBPRGKRZSA-N 319.383 -0.477 30 20 DBED C=CCS(=O)(=O)CCNC(=O)NC[C@](C)(O)CN(C)C 783304847 RDXHFGTWYYTCMG-LBPRGKRZSA-N 307.416 -0.801 30 20 DBED C#CCCCNC(=O)C(=O)NC[C@H](C(C)C)N1CCN(C)CC1 786630991 YTPVDXNLZDJIIZ-OAHLLOKOSA-N 322.453 -0.096 30 20 DBED CCOC(=O)CON=C(C(=O)N(C)C[C@H](C)O)c1cc[nH]n1 789988935 CIFANGYKQVVKJE-VIFPVBQESA-N 312.326 -0.467 30 20 DBED C=CCN1CC[C@@H](OC(=O)[C@@H]2CCCN2S(C)(=O)=O)C1=O 798580309 MQYBNMFLGGGCNU-WDEREUQCSA-N 316.379 -0.260 30 20 DBED CC#CC(=O)N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 801234866 XXUBIAMTAKZRAO-GFCCVEGCSA-N 302.396 -0.091 30 20 DBED C#CCC(C)(C)C(=O)NS(=O)(=O)c1cc(C(N)=O)n(C)c1 810518484 DRTYNSLOEVMEOP-UHFFFAOYSA-N 311.363 -0.022 30 20 DBED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2COC(=O)C2)cc1 816677516 UPIJZVPJXNWPJS-NSHDSACASA-N 322.342 -0.357 30 20 DBED COCCN1C(=O)C[C@@H](N2CCC(C#N)(C(=O)OC)CC2)C1=O 821781063 KHBLMCIZYXXXOM-LLVKDONJSA-N 323.349 -0.461 30 20 DBED N#Cc1cnn(CCOC(=O)c2c[nH]c(-c3nn[nH]n3)c2)c1N 826387818 SMRFYQDLPLCFSM-UHFFFAOYSA-N 313.281 -0.298 30 20 DBED CCC[C@H](C(=O)N1CCN(C2CC2)[C@H](C#N)C1)S(N)(=O)=O 827383449 GCOAFTTYHYXKFA-VXGBXAGGSA-N 314.411 -0.358 30 20 DBED N#C[C@H]1CNC[C@@H]1NC(=O)CN1C(=O)COc2ccccc21 834504830 FPLPQFXWFMBBLN-QWRGUYRKSA-N 300.318 -0.360 30 20 DBED C#CCOc1ccccc1NC(=O)C(=O)N[C@H](CO)[C@@H](C)O 839597203 HPXFPSMSPYCSPL-ZYHUDNBSSA-N 306.318 -0.505 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)[C@H]1CC(=O)N(CCC)C1 840667820 ZGSYNGIVZUFOHC-JTQLQIEISA-N 311.338 -0.200 30 20 DBED C#CCN1CCN(C(=O)c2cc(S(N)(=O)=O)cnc2C)CC1 847488824 GWQAJPJKCZXICE-UHFFFAOYSA-N 322.390 -0.572 30 20 DBED CS(=O)(=O)CCNC(=S)N1CCN(CCC#N)CC1 865269035 XVVWFQSLEBMZBN-UHFFFAOYSA-N 304.441 -0.563 30 20 DBED C#CCn1cc(CNC(=O)CN2CCCCS2(=O)=O)cn1 879792345 KQKQXEXKUYLIKL-UHFFFAOYSA-N 310.379 -0.442 30 20 DBED CN(C)S(=O)(=O)N1CCN(c2ccc(C#N)cc2CO)CC1 891724627 GOXBRRPUNAPNTQ-UHFFFAOYSA-N 324.406 -0.021 30 20 DBED CN(CC(=O)[C@@H](C#N)C(=O)Nc1ccccn1)S(C)(=O)=O 917509040 JDCLZZVFUYZLLN-SECBINFHSA-N 310.335 -0.380 30 20 DBED C#CC[C@@H](CO)NC(=O)NC1CCN(CCC(=O)N(C)C)CC1 917670671 UCIHPQWRBCCDDG-AWEZNQCLSA-N 324.425 -0.388 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCOC[C@@H]1COC)[C@@H]1CCCO1 930466954 MYGSKWZIDMQKKA-AVGNSLFASA-N 310.350 -0.843 30 20 DBED CN(C(=O)[C@@H]1CCCNC1=O)[C@@H]1CCN(C(=O)C#CC2CC2)C1 937351823 GUTMZFOIAIMQOS-ZIAGYGMSSA-N 317.389 -0.015 30 20 DBED C#Cc1ccc(C(=O)N(C)[C@H]2CCN(C(=O)C(N)=O)C2)nc1 939369026 GGKCJADSBBTEIB-NSHDSACASA-N 300.318 -0.779 30 20 DBED CC#CCN1CC[C@H](NC(=O)C2CC(=O)NC(=O)C2)[C@@H](C)C1 943547455 HVTQXHKYQZKWKD-AAEUAGOBSA-N 305.378 -0.111 30 20 DBED CCn1cc(C(=O)NC[C@@H]2CN(C(=O)[C@@H](C)C#N)CCO2)nn1 944750502 IQYZTEPGKQVFGL-WDEREUQCSA-N 320.353 -0.585 30 20 DBED NC(=O)CC(=O)N1CC2(CCN(C(=O)C#CC3CC3)CC2)C1 944931814 KLCGVNNXHVKJBM-UHFFFAOYSA-N 303.362 -0.274 30 20 DBED NC(=O)CC(=O)N1CC[C@@H]2[C@H](CCN2C(=O)C#CC2CC2)C1 945914091 NMOMOQCPOSVLAR-CHWSQXEVSA-N 303.362 -0.275 30 20 DBED N#CCN1C[C@H]2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)CC[C@H]2C1 946776633 QCXUQKZTJCHDRC-RFQIPJPRSA-N 320.393 -0.287 30 20 DBED C=CCN1CCOC2(CCN(C(=O)CS(C)(=O)=O)CC2)C1 949311760 TXYMCWOVTOREKT-UHFFFAOYSA-N 316.423 -0.090 30 20 DBED C#CCN1CCOC2(CCN(C(=O)[C@@]3(C)CNC(=O)C3)CC2)C1 949423732 MLRLACWBOYGDLI-MRXNPFEDSA-N 319.405 -0.161 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@]2(CCN(C(=O)Cn3ncnn3)C2)C1 953173935 REUSDGBWFUSBQG-BXUZGUMPSA-N 317.353 -0.716 30 20 DBED C[C@@H](C#N)C(=O)N1CC(N(C)C(=O)[C@@H](C)N2C(=O)CCC2=O)C1 954490186 LQGYGDKPPNGUPE-VHSXEESVSA-N 320.349 -0.647 30 20 DBED C[C@@H](C#N)C(=O)N1CC(N(C)C(=O)c2cc3n(n2)CCO3)C1 954549565 WTWHRWYMQQFBPB-VIFPVBQESA-N 303.322 -0.282 30 20 DBED C[C@H](C#N)C(=O)N1CC(N(C)C(=O)c2cc(C(N)=O)ccn2)C1 954742756 RFDXDPHCTFGUOW-SECBINFHSA-N 315.333 -0.377 30 20 DBED C[C@@H](C#N)C(=O)N1CC(N(C)C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 954996598 CFNXPAZGSWOXSK-AUZPSNTRSA-N 321.377 -0.133 30 20 DBED C#CCCN1C[C@@H](O)[C@@H](CNC(=O)c2ccc(=O)n(C)c2)C1 958203461 QPJKPENKCKTMOY-UONOGXRCSA-N 303.362 -0.569 30 20 DBED C#CCCN1C[C@H](O)[C@H](CNC(=O)c2nc3ncccn3n2)C1 958507303 OEBSJLXWEHJBRX-NEPJUHHUSA-N 314.349 -0.830 30 20 DBED N#Cc1c[nH]c(C(=O)N2C[C@H](O)[C@H](NC(=O)c3ccon3)C2)c1 961744150 WNTSCZFVDAZVBM-NEPJUHHUSA-N 315.289 -0.510 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1[C@@H]2CN(Cc3nc(O)n[nH]3)C[C@@H]21 961812045 DIQUATABRJIOOS-IIEKFROSSA-N 319.365 -0.352 30 20 DBED CC(C)[C@@H](O)C(=O)N1C[C@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 962123175 SKXYFZXGRRMDTG-FRRDWIJNSA-N 320.349 -0.795 30 20 DBED C=CCCN1C[C@H]2C(NC(=O)[C@@H]3CN(C(C)=O)CCO3)[C@@H]2C1 962434085 BKQURBINLGPVFC-MCIONIFRSA-N 307.394 -0.144 30 20 DBED Cn1nncc1C(=O)NC[C@H]1COCCN1C(=O)C#CC1CC1 964183777 ZMQKFHUYJNVYMK-LBPRGKRZSA-N 317.349 -0.814 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)CSC)C[C@@H]2O)nc1 969336142 GZZJMLNVXLNXFI-OLZOCXBDSA-N 319.386 -0.273 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)Cc2ncccc2F)C1 969963672 ALCHWWIVBCZZTQ-WQAKAFBOSA-N 320.324 -0.389 30 20 DBED CN(CC#N)[C@H]1CCN(C(=O)c2ccc(-n3cnnn3)cn2)C1 972003975 AKBJIHQNWKHCTB-LBPRGKRZSA-N 312.337 -0.273 30 20 DBED N#CCN1C[C@H]2CC[C@H]1CN2C(=O)Cc1nc2ncccn2n1 972107765 IACNYVLQRZOWKF-NWDGAFQWSA-N 311.349 -0.134 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)[nH]1 973181319 SQABKNOBFNHIBX-DBIOUOCHSA-N 315.333 -0.615 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)c3cn(C)nn3)C2)cn1 973231585 BKKRKAUQIJOVBO-JOCQHMNTSA-N 324.344 -0.118 30 20 DBED CCN1CCO[C@H](C(=O)N[C@H]2[C@@H]3CN(C(=O)[C@H](C)C#N)C[C@@H]32)C1 976606536 RAYVBOMPIDXSRL-DGTMBMJNSA-N 320.393 -0.560 30 20 DBED C#CCN1C[C@H]2[C@H](CNC(=O)c3cn(CCOC)nn3)[C@H]2C1 978155045 MPYXGZOWMMFOJP-XYYAHUGASA-N 303.366 -0.535 30 20 DBED N#CCN1C[C@@H]2C(CNC(=O)C3CCN(C(N)=O)CC3)[C@H]2C1 979050306 TXWUNAGYUQDRRL-CHWSQXEVSA-N 305.382 -0.405 30 20 DBED CCCN1C[C@@H](C(=O)NC2CN(C(=O)[C@H](C)C#N)C2)CC1=O 991587675 WMTVVEWTHYMLDX-MNOVXSKESA-N 306.366 -0.268 30 20 DBED C#CCN[C@@H]1CCC[C@H]2CN(C(=O)Cn3ncn(C)c3=O)C[C@@H]21 992739789 LCEQBPWCLKMEGT-MELADBBJSA-N 317.393 -0.568 30 20 DBED C#CCN[C@@H]1CCC[C@H]2CN(C(=O)c3nnc(O)nc3O)C[C@H]21 992747674 XHNQAPZFEBQILZ-HBNTYKKESA-N 317.349 -0.254 30 20 DBED C#CCN[C@@H]1CCC[C@H]2CN(C(=O)C3CC(=O)NC(=O)C3)C[C@H]21 992836642 SRRJGTGZIVKZGG-IACUBPJLSA-N 317.389 -0.111 30 20 DBED CN1CC[C@@H](C(=O)NCC2=CCN(CC#N)CC2)S1(=O)=O 1001254227 JZVNOLVRAXZCEK-LBPRGKRZSA-N 312.395 -0.708 30 20 DBED C=CCn1cc(C(=O)N[C@H]2C[C@H](C)N(C(=O)COC)C2)nn1 1012181229 USQCPLCEWPZWQM-QWRGUYRKSA-N 307.354 -0.170 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C(=O)COC2CCN(C)CC2)CC1 1012245882 HTCUSZNKKOWZHU-CYBMUJFWSA-N 322.409 -0.072 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C(=O)c2ccc(C(N)=O)[nH]2)CC1 1012332954 OXPLRSZXHICHJX-VIFPVBQESA-N 303.322 -0.442 30 20 DBED CC#CCN1CC[C@@H](NC(=O)[C@H]2C[C@H](OC)CN2C(C)=O)C1 1015404399 OJTBULSMLJEUEF-QLFBSQMISA-N 307.394 -0.164 30 20 DBED CC#CCN1CC[C@H](NC(=O)[C@H]2CCc3nnnn3CC2)C1 1015730914 HMLKMBOXAHICFB-STQMWFEESA-N 302.382 -0.161 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]2CN(C(=O)CCn3cncn3)C[C@H]21 1022563697 AFOUARXNTPPUOU-RWMBFGLXSA-N 316.365 -0.113 30 20 DBED C#CCN[C@@H]1CC[C@H]2CN(C(=O)c3nnc(O)nc3O)C[C@@H]21 1026304025 IWGAVCNPIPOPPO-LPEHRKFASA-N 303.322 -0.644 30 20 DBED CO[C@H]1C[C@H](C(=O)NC[C@@H]2CCCN2CC#N)N(C(C)=O)C1 1028051702 SMOBILLJNFJMTM-MELADBBJSA-N 308.382 -0.274 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2CCCN2[C@@H](C)C(=O)NC)nn1 1028187110 CHMJYRQTHILASY-NWDGAFQWSA-N 320.397 -0.207 30 20 DBED C#CCN1CCC(C(=O)NC[C@H]2CCN([C@@H](C)C(N)=O)C2)CC1 1029002956 FFYVTEJUVPFYSI-UONOGXRCSA-N 320.437 -0.357 30 20 DBED O=C(NC1CN(CC#Cc2ccccc2)C1)C1CS(=O)(=O)C1 1030368231 CDWUHFKTFZLISF-UHFFFAOYSA-N 318.398 -0.117 30 20 DBED CC#CCN1CC[C@H](N(C)C(=O)CN2CCCS2(=O)=O)C1 1033132800 YCNXZBOYQKKNLM-ZDUSSCGKSA-N 313.423 -0.422 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1CCCCN(CC(N)=O)C1 1034249726 NAZHXVQFUAADSV-KBPBESRZSA-N 306.410 -0.460 30 20 DBED N#Cc1cc(C(=O)NC[C@H]2CN([C@H]3CCNC3=O)CCO2)c[nH]1 1035337582 VLILNUVBFSZWKX-STQMWFEESA-N 317.349 -0.795 30 20 DBED C#CCCN1CCO[C@@H](CNC(=O)c2cn(C)nc2OC)C1 1035467912 VFYQXSMHXHABAP-LBPRGKRZSA-N 306.366 -0.117 30 20 DBED CC(C)N1C(=O)CC[C@H]1C(=O)NC[C@@H]1CN(CC#N)CCO1 1035483119 MBBFIUWVHXIAKI-OLZOCXBDSA-N 308.382 -0.274 30 20 DBED CC[C@H]1CN(C(=O)c2nccnc2C(N)=O)CC[C@@H]1NCC#N 1037986059 NZHUNSJFQJNJMG-QWRGUYRKSA-N 316.365 -0.071 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@]1(O)CCN(C(=O)C(F)F)C1 1039578897 AYLFAXHHWJQGDW-OLZOCXBDSA-N 306.309 -0.342 30 20 DBED Cc1nn(CC(=O)N2C[C@@H]3CCC[C@H](C2)N3CC#N)c(=O)n1C 1039988951 JDRLMOOOSORVQJ-BETUJISGSA-N 318.381 -0.521 30 20 DBED C=CCCC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2CCCNC2=O)C1 1040125310 XLIYQGPUJCEVAM-WBMJQRKESA-N 323.393 -0.442 30 20 DBED CC#CCCCC(=O)N1CC(O)(CNC(=O)[C@H](C)NC(C)=O)C1 1041337742 HINOBSXLTJUSJJ-LBPRGKRZSA-N 323.393 -0.606 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)Cc2ccnn2C)C1 1042813871 FLWVIQSXLBPNCS-UHFFFAOYSA-N 306.366 -0.382 30 20 DBED C=CCCN1CC(N(C)C(=O)Cn2ccc(=O)n(C)c2=O)C1 1042851446 KNPYWDZIJGZIBB-UHFFFAOYSA-N 306.366 -0.734 30 20 DBED CO[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1NC(=O)c1cnon1 1042877516 XEKKLELVQXTHJI-GHMZBOCLSA-N 315.293 -0.635 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)/C=C/C2CC2)C1 1043040025 MSPXQVCLHHWHLR-SYTKJHMZSA-N 306.362 -0.320 30 20 DBED CN1CCC[C@@H]1C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1043874395 IQCCRBLGBMIAIA-UPJWGTAASA-N 316.365 -0.892 30 20 DBED C[C@@H]1C[C@H](NCC#N)CCN1C(=O)CN1C(=O)NC(=O)C1(C)C 1044810524 VDYCLDBQHWKOOJ-GHMZBOCLSA-N 321.381 -0.191 30 20 DBED Cc1cc(C(=O)N2CC(O)(CNC(=O)[C@H](C)C#N)C2)n(C)n1 1045540925 MYAGKYCNXYUDLR-SECBINFHSA-N 305.338 -0.809 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)C[C@@H]2CCCOC2)C1 1045554990 MJWWYXLCWJTBQE-RYUDHWBXSA-N 309.366 -0.348 30 20 DBED C=CCN1CC[C@@H](N2CCN(C(=O)[C@]3(C)CNC(=O)C3)CC2)C1 1046046775 IRNBXJKOIXKNNS-PBHICJAKSA-N 320.437 -0.083 30 20 DBED CN(C(=O)c1cccc2nn[nH]c12)[C@H]1CN(CC#N)C[C@@H]1O 1047392841 GNOUGLVZTAVYAJ-RYUDHWBXSA-N 300.322 -0.401 30 20 DBED Cn1cc(C(=O)N2CCC[C@H]3[C@@H]2CCN3CC#N)ncc1=O 1049605582 PLTYLCONDQXDNC-STQMWFEESA-N 301.350 -0.017 30 20 DBED N#CCN1CC[C@H]2[C@H]1CCCN2C(=O)CN1CCC(=O)NC1=O 1049830053 DQUUHCDMMNPHRH-NEPJUHHUSA-N 319.365 -0.483 30 20 DBED CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1c(O)nnc1O 1049867822 PRMZEMWXXJWLDS-NWDGAFQWSA-N 319.365 -0.222 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)c1cn([C@H]2CCOC2)nn1 1051201253 CGHIZURMJBUTHJ-QWHCGFSZSA-N 319.365 -0.697 30 20 DBED C#CCCCC(=O)N[C@@H](C)[C@H]1CCN(C(=O)c2nnn(C)n2)C1 1051342641 XCFPSRIJUQZJDQ-RYUDHWBXSA-N 318.381 -0.020 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)CNC(=O)NC)C[C@@H]1C 1052776670 QZKJIJAEBMJCCM-STQMWFEESA-N 322.409 -0.070 30 20 DBED C=C(Cl)CN1CC2(C1)CN(C(=O)[C@H]1COC(=O)N1)CCO2 1053241037 DYMGYFAMBCFJSI-SNVBAGLBSA-N 315.757 -0.240 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)c1cn(C)c(O)n1)CCO2 1053409671 DXSSAVJIBHNGRG-UHFFFAOYSA-N 304.350 -0.324 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)Cn1ccccc1=O)CCO2 1053529205 NWXJLHLFICZZHR-UHFFFAOYSA-N 315.373 -0.215 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)c3ncc(OC)cn3)CO2)C1 1053866360 ZBRMFIZNXBECNZ-LLVKDONJSA-N 302.334 -0.309 30 20 DBED C#CCN[C@@H]1CN(C(=O)c2nc(C)n(-c3nc[nH]n3)n2)C[C@H]1C 1054953127 AIVLCCUFQCLCQG-MWLCHTKSSA-N 314.353 -0.623 30 20 DBED N#Cc1cncc(N2CCN(C(=O)[C@H]3CCC(=O)N3)CC2)n1 1055745927 GTMMKSJLRPZHJK-LLVKDONJSA-N 300.322 -0.725 30 20 DBED CN1CC[C@H](C(=O)N2CCN(c3cncc(C#N)n3)CC2)C1 1055818800 YVVLMSBMVFMYMD-LBPRGKRZSA-N 300.366 -0.051 30 20 DBED C#CCOCCC(=O)N1CC[C@H]2[C@@H]1CCCN2C(=O)C(N)=O 1056537430 KDKSAAVKIXXRMX-RYUDHWBXSA-N 307.350 -0.897 30 20 DBED C#CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)c1ccn(C)n1 1057584292 JALIXGIAHLXDPZ-LBPRGKRZSA-N 322.365 -0.991 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCN(CCO)C(=O)c1nc(C)c[nH]1 1057709597 NQIBYLYCNGNEHQ-OAHLLOKOSA-N 324.381 -0.404 30 20 DBED CN1C(=O)CC[C@@H]1C(=O)N[C@H]1CCN(c2cncc(C#N)n2)C1 1058523694 VMSRLEJVNKDBOJ-CMPLNLGQSA-N 314.349 -0.336 30 20 DBED Cc1nc(N2CC[C@@H](NC(=O)[C@@H]3CNC(=O)N3)C2)ccc1C#N 1058530883 BYOYECFBCIWPCJ-NEPJUHHUSA-N 314.349 -0.362 30 20 DBED N#Cc1nccnc1N[C@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 1059039407 FGMMEOPXKPLLMI-VIFPVBQESA-N 300.322 -0.373 30 20 DBED C#CCNC(=O)CC(=O)N1CCC2(CC1)CN(C(=O)CC)C2 1060862127 AXRJTEJWBCFJGH-UHFFFAOYSA-N 305.378 -0.013 30 20 DBED Cc1nccn1CC(=O)N1CCOC[C@@H]1CNC(=O)[C@H](C)C#N 1061852801 MQAPMKAKWJWRPE-YPMHNXCESA-N 319.365 -0.305 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(NC(=O)c2cnnn2C)CCC1 1062869792 LGPQNFVQHUKSHU-CQSZACIVSA-N 321.381 -0.089 30 20 DBED CN(C(=O)[C@H]1CCNC1=O)[C@H]1CCN(c2ccnc(C#N)n2)C1 1063004243 CGYQMGHSDVMSOF-QWRGUYRKSA-N 314.349 -0.479 30 20 DBED CN(C(=O)[C@H]1CNC(=O)N1)[C@@H]1CCN(c2ccc(C#N)nc2)C1 1063025038 NTSNXADRJOUCIV-CHWSQXEVSA-N 314.349 -0.328 30 20 DBED C=C[C@](C)(O)CC(=O)NC1(CNC(=O)[C@H]2CNC(=O)N2)CCC1 1064272538 PEDNIRUSTFXXBG-YGRLFVJLSA-N 324.381 -0.850 30 20 DBED C=CCOCC(=O)N1CCO[C@@H](CNC(=O)c2cnon2)C1 1064972295 TXRJTPKTEIRVND-JTQLQIEISA-N 310.310 -0.771 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)[C@H]2CCNC2=O)CCO1 1065422733 UECNLIPPDHGHQC-NEPJUHHUSA-N 309.366 -0.568 30 20 DBED N#Cc1ccc(N2C[C@H](CNC(=O)c3ncccn3)[C@@H](O)C2)cn1 1067677346 CAYXLNLFZRGYGB-FZMZJTMJSA-N 324.344 -0.030 30 20 DBED C[C@@H]1[C@@H](N=c2cc[nH]c(C#N)n2)CCN1C(=O)CS(C)(=O)=O 1068773878 HUBXYZIEKNVCRI-ZJUUUORDSA-N 323.378 -0.784 30 20 DBED Cn1oc(C(=O)NCc2cnn3c2CN(CC#N)CC3)cc1=O 1069859421 TYVSISJIWRVNDW-UHFFFAOYSA-N 316.321 -0.556 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)Cc2cncs2)C1 1069952557 SEJHBZCHCURADB-OLZOCXBDSA-N 316.390 -0.048 30 20 DBED C#CCN1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2COCCO2)C1 1070397619 GFMNZYGSOMWEGA-JSGCOSHPSA-N 318.377 -0.136 30 20 DBED C#CCN[C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1c1cn(C)cn1 1070497375 FZCOIESEBKEKOM-GXTWGEPZSA-N 313.365 -0.771 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@@H](NC(=O)c2cocn2)C1 1070636176 MJMZIUVKBXSSQY-LLVKDONJSA-N 318.333 -0.465 30 20 DBED C=CCN1C[C@H]2C[C@@H]3CN(C(=O)c4c[nH]c(=O)cn4)C[C@@]3(C1)O2 1070844561 GXJGZQDQTWHQIY-XHBSWPGZSA-N 316.361 -0.129 30 20 DBED C=C(C)CN1CCNC(=O)CCN(C(=O)c2ncn(C)n2)CC1 1070961636 XEQXXVKZIYLXRG-UHFFFAOYSA-N 320.397 -0.345 30 20 DBED Cc1ccn(CC(=O)N2CCC(=O)NCCN(CC#N)CC2)n1 1071000142 PQUSPKOFNXOTGP-UHFFFAOYSA-N 318.381 -0.634 30 20 DBED C[C@H]1CN(C(=O)c2nccnc2N)C[C@]2(CCN(CC#N)C2)O1 1071145984 DWIQWQLDUMLJLJ-XHDPSFHLSA-N 316.365 -0.112 30 20 DBED C#CCN1C[C@H](NC(=O)Cn2ccc(O)nc2=O)CC[C@H]1C 1071659343 IPAGPVMGWMWVCF-VXGBXAGGSA-N 304.350 -0.449 30 20 DBED CNC(=O)CN1CCCO[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 1073566665 SDUGIKWCVNXXQR-GFCCVEGCSA-N 319.365 -0.547 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(C(=O)Cn2nccn2)C[C@H]1C 1073818282 YKZMXHQZOVAYSK-OLZOCXBDSA-N 321.381 -0.166 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(O)(CNC(=O)c2cncnc2)CC1 1074705756 YIADVFWWWAPAKQ-NSHDSACASA-N 317.349 -0.280 30 20 DBED C=CCOCC(=O)NCC[C@H](C)NC(=O)[C@H]1CCNC(=O)C1 1075917739 HCCUGRKFOZTCKW-RYUDHWBXSA-N 311.382 -0.274 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)Cc1cnoc1 1076220167 RFIISONLGBAQHV-NSHDSACASA-N 320.349 -0.632 30 20 DBED C[C@@H](CCNC(=O)CN1CCOCC1=O)NC(=O)[C@H](C)C#N 1077024171 LWCGAAAFPRUHHP-MNOVXSKESA-N 310.354 -0.984 30 20 DBED C[C@@H](CCNC(=O)CCS(C)(=O)=O)NC(=O)C#CC1CC1 1077263569 FGUKYZIPDAZIKZ-NSHDSACASA-N 314.407 -0.155 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2ccc3c(c2)CCC(=O)N3)C1 1077348096 ZOJPABPVYJNOAB-HUUCEWRRSA-N 313.357 -0.021 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)c2ccnc(-n3cncn3)c2)C1 1078272237 OBYKZQDOZJVAPB-CHWSQXEVSA-N 314.349 -0.377 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CO)(NC(=O)c2cocn2)CC1 1080775176 WGXNFCJDODOPKF-SNVBAGLBSA-N 306.322 -0.082 30 20 DBED C=CCCOCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C(F)F)C1 1081157773 JSZYZCMEQIGXPH-VHSXEESVSA-N 306.309 -0.220 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)c2cnc(O)n2C)C[C@@H]1O 1081333283 QVPYFYVAMNMDRA-PWSUYJOCSA-N 322.365 -0.359 30 20 DBED CCNC(=O)CC(=O)NC[C@H]1CN(C(=O)C#CC(C)C)C[C@@H]1O 1081425712 VSRZANJIWXKWEC-STQMWFEESA-N 323.393 -0.893 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)c2cncn2C)C[C@@H]1O 1081444993 PNVKQGNFMGDWSI-OCCSQVGLSA-N 318.377 -0.227 30 20 DBED N#CCSCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2ncc[nH]2)C1 1081452846 LZFGFEBYMPMHSR-VHSXEESVSA-N 323.378 -0.784 30 20 DBED C=CCCC(=O)N1C[C@H](CNC(=O)c2cn(C)nn2)[C@@H](O)C1 1081456381 YRQMMFMQIYYBTC-JQWIXIFHSA-N 307.354 -0.670 30 20 DBED CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)C2=CCOCC2)C[C@H]1O 1081463325 LLUJZJDXIPGHAE-HUUCEWRRSA-N 320.389 -0.072 30 20 DBED CNC(=O)[C@H](C)N1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@H](OC)C1 1081563261 GNLWUZIDURKZKA-ZWKOPEQDSA-N 319.365 -0.550 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cnco2)C1 1081623217 INNTZDYPXKKAHL-MNOVXSKESA-N 309.322 -0.574 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1cnn2cc(C)cnc12 1082191029 UJPQZRLEYIYZKP-CHWSQXEVSA-N 314.349 -0.010 30 20 DBED C=C(C)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)C1CS(=O)(=O)C1 1083092620 UTPSOHBNSRUROA-QWHCGFSZSA-N 314.407 -0.481 30 20 DBED C=CCN1CC[C@@H](N2C[C@H](O)[C@H](NC(=O)c3cocn3)C2)C1=O 1083370022 ZNXXQJKMLJPFFJ-RTXFEEFZSA-N 320.349 -0.764 30 20 DBED C=CCCn1cc(C(=O)NC[C@H]2C[C@@H](NCC(N)=O)C2)nn1 1086222012 WHCCJMJSOWUTJA-PHIMTYICSA-N 306.370 -0.563 30 20 DBED CC(=O)NCC(=O)N[C@@H](C)C[C@H](C)N=c1cc[nH]c(C#N)n1 1089210533 FDNOPXWULOQQTG-UWVGGRQHSA-N 304.354 -0.399 30 20 DBED C[C@H](C[C@@H](C)Nc1cncc(C#N)n1)NC(=O)Cn1ncnn1 1089399481 DBVQGPOHUBPRHT-NXEZZACHSA-N 315.341 -0.270 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CN(c2cc(Cl)c(O)nn2)C[C@H]1O 1090404620 QYVCTRRMGDKHTP-FTLITQJKSA-N 311.729 -0.339 30 20 DBED COCCOCC(=O)NC1[C@H]2CN(c3ccc(C#N)nn3)C[C@H]12 1093254102 KIBGRQLBXYLYMK-RYUDHWBXSA-N 317.349 -0.438 30 20 DBED N#Cc1ccc(N2C[C@H]3[C@H](NC(=O)C4(C(N)=O)CC4)[C@H]3C2)nn1 1093355802 IEQLNWNCNYPARY-IAZYJMLFSA-N 312.333 -0.835 30 20 DBED C[C@@H](CS(C)(=O)=O)C(=O)NCCNc1nccnc1C#N 1093681149 RVYQNRWAPZRDIS-VIFPVBQESA-N 311.367 -0.443 30 20 DBED C#CCN1CCN(C(=O)[C@@H]2CCCO2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094603870 SDWIVYKOVTZKFA-XQQFMLRXSA-N 312.391 -0.892 30 20 DBED CC#CCN1CC(N2C[C@@H](NC(=O)C3=CCOCC3)CC2=O)C1 1094730393 AEOUBZBDVINURU-AWEZNQCLSA-N 317.389 -0.242 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)c3ncccc3O)CC2=O)C1 1094732177 ZIPFTSAHLUNSOH-LLVKDONJSA-N 316.361 -0.012 30 20 DBED Cc1ncc(C(=O)N[C@@H]2CC(=O)N(C3CN(CC#N)C3)C2)n1C 1094777563 XWGOFLYQOIBCHJ-LLVKDONJSA-N 316.365 -0.733 30 20 DBED CC(C)(C(N)=O)C(=O)N[C@@H]1CCN(c2ccnc(C#N)n2)C1 1096444548 KQRMGAXNIONPRE-SECBINFHSA-N 302.338 -0.445 30 20 DBED CC(C)(C(N)=O)C(=O)N[C@@H]1CCN(c2ccc(C#N)nn2)C1 1096445561 YGYNQORCZFXZEA-SNVBAGLBSA-N 302.338 -0.445 30 20 DBED CCC(=O)N[C@H](C)C(=O)N[C@@H]1CCN(c2ccc(C#N)nn2)C1 1096493873 CTHCGHPBUSTQJQ-ZYHUDNBSSA-N 316.365 -0.042 30 20 DBED COCC#CCN1CC[C@H](NC(=O)C2=COCCO2)[C@@H](O)C1 1099643029 ZZNLKVQSCNCIHB-STQMWFEESA-N 310.350 -0.924 30 20 DBED C#CCCCC(=O)N[C@@H]1CCN(Cc2nncn2C)C[C@H]1O 1099808022 ZYKFYTIQHDGIDL-CHWSQXEVSA-N 305.382 -0.330 30 20 DBED CCn1cc(CN2CC[C@H](NC(=O)C#CC3CC3)[C@@H](O)C2)nn1 1099826305 JGWFZFSDWGYNAC-GJZGRUSLSA-N 317.393 -0.237 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)c2[nH]c(C)nc2C)[C@@H](O)C1 1100006992 VZSRJGAUQDTUEK-KGLIPLIRSA-N 320.393 -0.159 30 20 DBED CCOCCOCC(=O)NCCN(C)c1cncc(C#N)n1 1100161895 OMIFCMINPQOIFV-UHFFFAOYSA-N 307.354 -0.046 30 20 DBED C=CCNC(=O)CNC1CC(CNC(=O)[C@@H]2CCCN2C)C1 1100185947 TZGUVOXNXCPRAO-RUXDESIVSA-N 308.426 -0.133 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)[C@H]2CCCCO2)C1 1100244878 ILGWVNZUZSCSOH-JXQTWKCFSA-N 307.394 -0.211 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCN(C)c1ccc(C#N)nn1 1100388320 IMONGATWVHBCAS-AWEZNQCLSA-N 312.377 -0.002 30 20 DBED CN(CCNC(=O)[C@@H]1CCC(=O)NC1)c1cnc(C#N)cn1 1100404051 JMXMUXPNUJJXFD-SNVBAGLBSA-N 302.338 -0.573 30 20 DBED CCN(CCNC(=O)[C@H](C)NC(C)=O)c1ccc(C#N)nn1 1100434983 VYWFMWJFRRVNHJ-JTQLQIEISA-N 304.354 -0.185 30 20 DBED CCN(CCNC(=O)C1(C(=O)NC)CC1)c1ccnc(C#N)n1 1100566161 APDNIZFHAVQAQC-UHFFFAOYSA-N 316.365 -0.183 30 20 DBED CCN(CCNC(=O)[C@@H]1CNC(=O)N1)c1snc(C)c1C#N 1100698880 PRAFJFOUEUUEJW-JTQLQIEISA-N 322.394 -0.053 30 20 DBED N#Cc1ccc(N(CCNC(=O)[C@@H]2CNC(=O)N2)C2CC2)cn1 1101432689 IEDVIDUKWGKQOG-ZDUSSCGKSA-N 314.349 -0.280 30 20 DBED CC(=O)N[C@H]1CC2(CN(CC(=O)NCC#N)C2)n2ccnc21 1101602869 QYTYKMVRIXAVGX-NSHDSACASA-N 302.338 -0.885 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C[C@@H](O)COC)C[C@H]1C 1101817305 LPQILKBEAVVLSB-MGPQQGTHSA-N 300.399 -0.120 30 20 DBED CC[C@H](CNC(=O)[C@@H]1CCC(=O)N1)N=c1cc[nH]cc1C#N 1103144564 XWRKIMAATVPMPY-YPMHNXCESA-N 301.350 -0.040 30 20 DBED COC(=O)NCC(=O)NC[C@H](C)CNc1nccnc1C#N 1103857240 WJLZUZCZFXNRSZ-VIFPVBQESA-N 306.326 -0.132 30 20 DBED C[C@H]1CN(C(=O)CNC(N)=O)CC[C@H]1N=c1cc[nH]cc1C#N 1105029537 DGZOPGUUKMUENQ-CMPLNLGQSA-N 316.365 -0.308 30 20 DBED C=CCNCc1cn(C2CN(C(=O)[C@H]3CCN(C)C3)C2)nn1 1105372528 LFUYLXULFGVQHG-LBPRGKRZSA-N 304.398 -0.111 30 20 DBED C=CCNCc1cn(C2CN(C(=O)c3ccn(C)n3)C2)nn1 1105372596 OYIGVIMMSHJGIN-UHFFFAOYSA-N 301.354 -0.016 30 20 DBED Cc1cc(C(=O)N2C[C@@H](C)[C@H](CNCC(=O)NCC#N)C2)no1 1105797484 FAYBQJMYNJECGW-ZYHUDNBSSA-N 319.365 -0.080 30 20 DBED CCc1nc[nH]c1C(=O)NC[C@@H](O)CNc1cnc(C#N)cn1 1105921437 DIPABFPQJDSXNY-JTQLQIEISA-N 315.337 -0.163 30 20 DBED COCCO[C@H](C)C(=O)NC[C@H](O)CNc1ccc(C#N)cn1 1105962148 CEOYMMYNJTZNRC-DGCLKSJQSA-N 322.365 -0.106 30 20 DBED CN(C)[C@H](C(=O)NC[C@@H](O)CNc1cnc(C#N)cn1)C1CC1 1105995443 SYOHOPIPNMARBV-JSGCOSHPSA-N 318.381 -0.423 30 20 DBED C#CCN1CC(n2cc(CNC(=O)[C@@H](C)NC(=O)CC)nn2)C1 1107173377 ACFNJQZYPOGRDP-LLVKDONJSA-N 318.381 -0.701 30 20 DBED C[C@H](CN=c1cc[nH]cc1C#N)NC(=O)c1cc(=O)n(C)o1 1107697210 DYBCDTNWHHJPKF-SECBINFHSA-N 301.306 -0.103 30 20 DBED Cc1cccn(CC(=O)NC[C@]2(C)CN(CC#N)CCO2)c1=O 1107943473 BZTBZQGINLWQGP-MRXNPFEDSA-N 318.377 -0.113 30 20 DBED C[C@H](CNc1nccnc1C#N)NC(=O)[C@@H]1CCS(=O)(=O)C1 1108000910 GNCWKCQCELDTSM-NXEZZACHSA-N 323.378 -0.300 30 20 DBED C#CCCN1CCO[C@](C)(CNC(=O)[C@@]2(C)CCNC2=O)C1 1108210579 BDNBQPBNOZAKFU-CVEARBPZSA-N 307.394 -0.257 30 20 DBED CO[C@H](C(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1)C1CCC1 1108558141 BBTDDJMYVIZGHD-DOMZBBRYSA-N 320.393 -0.274 30 20 DBED CO[C@H](CC(C)C)C(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1 1108572073 LSPHYEWKMWQXOJ-GXTWGEPZSA-N 322.409 -0.028 30 20 DBED COCC#CCN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CNC(C)=O)C2 1108607060 VKIBVPKSQVRFFP-ZNMIVQPWSA-N 307.394 -0.259 30 20 DBED C[C@@H](CN(C)c1ccnc(C#N)n1)NC(=O)[C@H]1CCC(=O)N1 1108863745 OSAAWJAHGASZLG-VHSXEESVSA-N 302.338 -0.432 30 20 DBED C[C@H](CN(C)c1cnc(C#N)cn1)NC(=O)[C@H]1CCNC(=O)C1 1108894090 AZMYRVNTHFIYFF-MNOVXSKESA-N 316.365 -0.185 30 20 DBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1ccon1 1108982427 JJNMNBTZJRAYSR-USWWRNFRSA-N 303.322 -0.351 30 20 DBED C[C@@H](CN(C)c1cncc(C#N)n1)NC(=O)[C@@H]1CCN(C)C1=O 1109182592 BXPKUPYAJOVEEB-JQWIXIFHSA-N 316.365 -0.233 30 20 DBED Cc1nsc(N(C)C[C@H](C)NC(=O)[C@@H]2CNC(=O)N2)c1C#N 1109210997 NODASXWTYGVVOF-XVKPBYJWSA-N 322.394 -0.055 30 20 DBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H]1CCN(C)C1 1110101504 RQTWXUUCKXKOJT-KBXIAJHMSA-N 320.437 -0.038 30 20 DBED CC[C@@H](OC)C(=O)NC[C@@]1(O)CCN(c2nccnc2C#N)C1 1111044092 SEORITOGFYWRCK-DOMZBBRYSA-N 319.365 -0.169 30 20 DBED CC(C)[C@@H](O)C(=O)N(C)[C@H]1CN(c2ccc(C#N)nc2)C[C@@H]1O 1111181122 FPSPAGFQBFKTAH-SOUVJXGZSA-N 318.377 -0.022 30 20 DBED N#Cc1nc(=NCCN(CCO)C(=O)[C@@]2(F)CCOC2)cc[nH]1 1111546224 AJJVVILEURINJV-CQSZACIVSA-N 323.328 -0.868 30 20 DBED C[C@H]1CN(c2cncc(C#N)n2)CC[C@H]1NC(=O)CC(N)=O 1112396636 YTBGIXJEDKPKEG-GXSJLCMTSA-N 302.338 -0.445 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2cccc(O)n2)CC1 1112745101 IGUGOBQSZFKMQT-UHFFFAOYSA-N 302.334 -0.706 30 20 DBED CN(C)CCC(=O)NC[C@@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1112755620 PVYDMMBZSVTBHH-YPMHNXCESA-N 318.381 -0.787 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)C2(COC)CC2)CC1 1113109148 TVXVZUMEXARGTD-ZDUSSCGKSA-N 307.394 -0.305 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)C2(C(N)=O)CC2)CC1 1113278156 DMYKRTYNOQRLTA-LLVKDONJSA-N 308.382 -0.913 30 20 DBED C[C@@H](CC(=O)NC[C@@H](C)N(C)c1ccnc(C#N)n1)NC(N)=O 1113720511 RNKPHUMOTLYBMB-VHSXEESVSA-N 319.369 -0.264 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)Cc3ccc(C)o3)[C@H]2C1 1114146906 LNQBQNLQLVBCHQ-HALDLXJZSA-N 315.373 -0.074 30 20 DBED COCC#CCN1C[C@@H]2C(NC(=O)c3cc(OC)ncn3)[C@H]2C1 1114287481 LOOIZGAPMFRVOU-RYUDHWBXSA-N 316.361 -0.205 30 20 DBED C=CCNC(=O)NC(=O)CN1C[C@H]2C(NC(=O)[C@H]3C[C@@H]3C)[C@@H]2C1 1114682844 FIAPYFMSCUKWOC-NNYUYHANSA-N 320.393 -0.299 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)Cc3occc3C)[C@@H]2C1 1114806113 PQKFPIAJYJFCAO-CHWSQXEVSA-N 315.373 -0.074 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3ccnc(C)c3)[C@H]2C1 1114991838 KEYXZZSIVUHMMB-KBPBESRZSA-N 312.373 -0.201 30 20 DBED C#CCCN1C[C@H]2C(NC(=O)CN(C)S(=O)(=O)CC)[C@@H]2C1 1115050097 QBCUQJHMBPUVQD-VXGBXAGGSA-N 313.423 -0.662 30 20 DBED C[C@@H](CN(C)C(=O)c1cc(=O)n(C)o1)N=c1cc[nH]c(C#N)n1 1115672852 FWIWQRNPNWUEGQ-VIFPVBQESA-N 316.321 -0.366 30 20 DBED C#CCNC(=O)C1CCN(C(=O)C(=O)NCCCOC)CC1 1116958727 WQZRSHFGASPZPG-UHFFFAOYSA-N 309.366 -0.873 30 20 DBED C=C[C@@H](COC)NC(=O)C1CCN(S(=O)(=O)NC)CC1 1117401164 SZWZHKYQTQAOQL-NSHDSACASA-N 305.400 -0.520 30 20 DBED C#CC1CCN(C(=O)C(=O)N(C)[C@@H](C)CS(C)(=O)=O)CC1 1118185197 WAFZLPKTVSOQKR-NSHDSACASA-N 314.407 -0.250 30 20 DBED N#CCNC1(CNC(=O)c2cn(CC(N)=O)nn2)CCCCC1 1120202677 UHJLWDHPKFOSEM-UHFFFAOYSA-N 319.369 -0.691 30 20 DBED CCC(=O)N[C@@H](C)C(=O)N(C)C[C@@H](C)N=c1cc[nH]c(C#N)n1 1120799684 GPGOTJCDDWFGBH-MNOVXSKESA-N 318.381 -0.056 30 20 DBED CO[C@@H](C(=O)NC[C@H](CO)Nc1ccc(C#N)nn1)C1CC1 1121506843 YWGWEEYKJGFUJN-DGCLKSJQSA-N 305.338 -0.338 30 20 DBED Cn1ccc(C(=O)NC[C@H](CO)Nc2nccnc2C#N)n1 1121583232 ZIUVDASRGDEFOD-SECBINFHSA-N 301.310 -0.715 30 20 DBED N#Cc1ccc(N[C@H](CO)CNC(=O)Cn2nccn2)nc1 1122098248 NAKFFOHFKGXLPO-NSHDSACASA-N 301.310 -0.866 30 20 DBED N#Cc1cncc(N[C@H](CO)CNC(=O)[C@]2(F)CCOC2)n1 1122410515 GYZDXJBNLVRJQZ-GWCFXTLKSA-N 309.301 -0.634 30 20 DBED CCOCCCNC(=O)[C@H](C#N)C(=O)[C@@H]1CC[C@H](C(N)=O)O1 1122515821 MOCCWNSBSUBSQW-OUAUKWLOSA-N 311.338 -0.729 30 20 DBED C[C@@H]1CCO[C@@H]1C(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1 1122584892 NRCBDHYFVYSDFF-NRUUGDAUSA-N 305.338 -0.916 30 20 DBED CN(C[C@H](O)CNc1ccc(C#N)nn1)C(=O)c1cn[nH]c1 1124180575 WHXYWEYTBBWCBG-LLVKDONJSA-N 301.310 -0.384 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C[C@H](O)CN(C)c1ncccn1 1125162763 UBRHQLCNXVEYNQ-OLZOCXBDSA-N 306.366 -0.230 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)c1cn(C)cn1 1125671543 SIGHFEGKTZKJNV-UHFFFAOYSA-N 305.382 -0.060 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)[C@@H]1CCCCO1 1125718540 TWYAFRORINJFBU-NSHDSACASA-N 312.370 -0.727 30 20 DBED C#CCOCCC(=O)NCCN[C@@H](C)C(=O)NCC(F)(F)F 1127027235 MRHYHAWPPPQZJE-JTQLQIEISA-N 323.315 -0.201 30 20 DBED C=CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)CN(C)C(C)=O)C1 1128731892 UVIRFBKJFPHLLG-KGLIPLIRSA-N 320.397 -0.326 30 20 DBED C=CCN[C@@H]1CN(C(=O)CNC(=O)C2CC2)C[C@@H]1n1ccnn1 1129619022 ZVJVZIRKEQVRAM-OLZOCXBDSA-N 318.381 -0.668 30 20 DBED C=C[C@@](C)(CCOC)C(=O)NCCN[C@@H]1CCC(=O)NC1=O 1131870657 WYXHRDHSKAGUKI-ABAIWWIYSA-N 311.382 -0.274 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CC[C@@H](C)N(CC(=O)N(C)C)C1 1131979850 CHQDWRSJFAEKHU-CHWSQXEVSA-N 322.409 -0.817 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)Cc1cc(C)[nH]n1 1134056441 PUCQPAFXSQTKQW-RYUDHWBXSA-N 319.409 -0.117 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1ccc2cnccc2n1 1134337131 OEHZXKUDSVHJOT-UHFFFAOYSA-N 311.345 -0.301 30 20 DBED C[C@@H](C[C@H](C)NC(=O)C1(N(C)C)CCC1)NCC(=O)NCC#N 1134583467 KTQSGQGTCXKPKO-STQMWFEESA-N 323.441 -0.017 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)c1c[nH]nc1C 1135143113 IOLDKSLMKCHPDT-QWRGUYRKSA-N 305.382 -0.046 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cn(CCC)nc1C 1135719492 FXHSIXSJYSWGHA-UHFFFAOYSA-N 305.382 -0.330 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)CN(C)C(C)C 1146591082 FUWNJKVNUSGSAW-KBPBESRZSA-N 310.442 -0.051 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1ccc2c(c1)CCN2C 1146858674 KKUJOAGXBJJXFQ-UHFFFAOYSA-N 314.389 -0.252 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1cnn(CC)c1C1CC1 1147230035 CHHWHCDCACSXSS-UHFFFAOYSA-N 317.393 -0.151 30 20 DBED N#CCNC(=O)CN1CCC2(C1)CN(C(=O)C1=CCOCC1)C2 1147398065 HBPYUXKIGFHOLG-UHFFFAOYSA-N 318.377 -0.493 30 20 DBED CNC(=O)CN1CCCO[C@@H](CNC(=O)CSCC#N)C1 1149209887 YYNMCRXQJVBNOE-NSHDSACASA-N 314.411 -0.804 30 20 DBED C=CCOCCN1CCCO[C@H](CNC(=O)c2cnnn2C)C1 1149646422 MEXYTSKBHWPAJP-CYBMUJFWSA-N 323.397 -0.162 30 20 DBED C=CCO[C@H](C)C(=O)NCCN[C@H](C)C(=O)NC(=O)NCC 1153097958 XQKZMARHAZIAFW-GHMZBOCLSA-N 314.386 -0.483 30 20 DBED C#CCNC(=O)CNCCNC(=O)CN(C)Cc1ccccc1 1153320801 RGODOBQBMXMDEY-UHFFFAOYSA-N 316.405 -0.426 30 20 DBED C=CCNC(=O)NC(=O)CNCCCNC(=O)c1cn[nH]c1 1155016890 UKHIUZLQWTYELO-UHFFFAOYSA-N 308.342 -0.869 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@H](F)CN(CC)CC 1159148386 FEDRHHLBAQTEQP-CYBMUJFWSA-N 314.405 -0.488 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)[C@@]1(CC)CCNC1=O 1160280547 MAPGWWICUHSVGH-MLGOLLRUSA-N 324.425 -0.311 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)c1cc(C(N)=O)co1 1166479511 RDRNKIHXZGDUPL-SNVBAGLBSA-N 320.349 -0.774 30 20 DBED C=CCCCNCCCNC(=O)[C@H](C)NC(=O)Cn1cnnn1 1170520567 NTRMKHGJFNMJHV-LBPRGKRZSA-N 323.401 -0.760 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)c1ccc(C#C)nc1 1171595211 YKUWTAXZZSCVPH-ZDUSSCGKSA-N 312.373 -0.090 30 20 DBED C=CCOCCNCCCNC(=O)CS(=O)(=O)N(C)C 1174927146 HKQOKJQSKJPDSL-UHFFFAOYSA-N 307.416 -0.824 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1ncccc1OCC 1177619352 TWMBEXTUACQCNS-UHFFFAOYSA-N 318.377 -0.061 30 20 DBED COCC#CCN[C@H]1CCN(C(=O)C2CN(C(C)=O)C2)[C@H]1C 1178555326 KHJPTEJRGHCRSE-WFASDCNBSA-N 307.394 -0.307 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)CCOCC(F)F)C1 1182623044 CWMFZINSBQVGEF-LLVKDONJSA-N 317.336 -0.402 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@]23CCCN(CC2)C3)C1 1187459500 BQNAGJPSHYVEBI-PBHICJAKSA-N 320.437 -0.035 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)[C@@H]2CCN(C(C)=O)C2)C1 1187466675 ADHDWXLXZWAOEK-HUUCEWRRSA-N 307.394 -0.305 30 20 DBED C=CCN1C[C@@H]2CCN(C(=O)CCS(=O)(=O)NC)[C@@H]2C1 1187889805 NBIMBXBMWUICTL-NWDGAFQWSA-N 301.412 -0.356 30 20 DBED COCC#CCN(C)[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(C)C2)C1 1190453842 NISURTSMFKNVFV-ZIAGYGMSSA-N 307.394 -0.353 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(CC/C=C/CC)C[C@H]1O 1192395432 CYMKTOVTSLKVHG-QAMKJQMISA-N 307.394 -0.357 30 20 DBED CCC[C@H](C)NC(=O)CN1C[C@@H](O)[C@H](NC(=O)C#CC2CC2)C1 1192827135 QCOBJRFILZFLKA-NWANDNLSSA-N 321.421 -0.134 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)CC[C@@H]2CCCN2C)C1 1193901926 LADUVBAZNQSUKF-ARFHVFGLSA-N 323.437 -0.328 30 20 DBED C#CCNC(=O)[C@H](C)N1CCCN(C(=O)Cn2cccn2)CC1 1194831648 UWFZURPCGJFQFW-AWEZNQCLSA-N 317.393 -0.445 30 20 DBED C=CCCCN1C[C@@H](O)[C@H](NC(=O)c2cn(C)c(=O)nc2O)C1 1198637424 BYAFEVKYOUPJCA-VXGBXAGGSA-N 322.365 -0.773 30 20 DBED N#CCNC(=O)CNC[C@@H]1CN(C(=O)[C@H]2CCCO2)CCCO1 1199787654 PAOVRLWLCFIHFN-CHWSQXEVSA-N 324.381 -0.988 30 20 DBED CC(=O)NCCOCCNC1CCN(C(=O)[C@H](C)C#N)CC1 1199817066 PLUNDKFLIHCVTL-GFCCVEGCSA-N 310.398 -0.121 30 20 DBED C=CCNC(=O)CNC[C@H]1CN(C(=O)c2cn[nH]c2)CCCO1 1199923657 NKTDWPQBEVCCBV-ZDUSSCGKSA-N 321.381 -0.467 30 20 DBED C=CCCO[C@@H](C)C(=O)N1CCCO[C@@H](CNCC(N)=O)C1 1200047570 DMZYZMPMFMLSLT-STQMWFEESA-N 313.398 -0.340 30 20 DBED C#CCNC[C@H]1CN(C(=O)CNC(=O)C(C)(C)C)CCCO1 1202049502 OJXWSYMISJHJDR-ZDUSSCGKSA-N 309.410 -0.011 30 20 DBED N#CCNC(=O)CN[C@@H]1C[C@H](NC(=O)c2cnon2)C12CCC2 1203506688 KNOWPMQQTWFXND-MNOVXSKESA-N 318.337 -0.660 30 20 DBED C#CCCN[C@H]1C[C@H]2CC[C@H]1N(C(=O)Cn1cnnc1O)C2 1204211404 LSWZCYQUYODEKP-FRRDWIJNSA-N 303.366 -0.024 30 20 DBED COCC#CCNCC1CCN(C(=O)[C@H](C)NC(N)=O)CC1 1205100070 HSAHKCZMHKKJQG-LBPRGKRZSA-N 310.398 -0.479 30 20 DBED N#CCN1CCC2(CC1)CN(C(=O)CNC(N)=O)[C@@H]1COC[C@@H]12 1205474083 MQBDHQRRADEELJ-NWDGAFQWSA-N 321.381 -0.882 30 20 DBED COCC#CCN1C[C@@H](NC(=O)[C@@]2(C)CCC(=O)NC2)[C@H](C)C1 1208388448 MNUISWQEVQAJLQ-CPUCHLNUSA-N 321.421 -0.011 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)c2nc(C)c[nH]2)[C@H](C)C1 1209309440 NPGUMGQENZAIDU-KGYLQXTDSA-N 317.393 -0.094 30 20 DBED CNC(=O)NC(C)(C)C(=O)N1CCC[C@H](NCC#CCOC)C1 1211248584 IDGZQHSQTFWWIW-ZDUSSCGKSA-N 324.425 -0.076 30 20 DBED C#CCCN1C[C@@H](NC(=O)CN(C)C(=O)C2CC2)[C@H](OC)C1 1212361464 PRTDVLSBYFBQKC-ZIAGYGMSSA-N 307.394 -0.307 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2cnccn2)C[C@H]1C 1214069721 BOVUBKBVAWODSG-YRGRVCCFSA-N 315.377 -0.335 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)c2ncccn2)C[C@H]1C 1216020400 UDMWUOAHAGDNPT-VXGBXAGGSA-N 301.350 -0.724 30 20 DBED Cn1cc(CCN2C[C@H](O)[C@H](NC(=O)CSCC#N)C2)cn1 1219216392 KNUWDUSOGXWZNV-OLZOCXBDSA-N 323.422 -0.619 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(Cc2ccnc(OC)n2)C[C@@H]1O 1219531926 AQWADTMFPJPUTF-KGLIPLIRSA-N 318.377 -0.050 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(CCOCC(C)C)C[C@@H]1O 1219609552 XEOBAAKAIINKDA-CABCVRRESA-N 312.410 -0.140 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)COCc2ccnn2C)C1 1219863836 BORVDRGJNYZTFI-KGLIPLIRSA-N 306.366 -0.879 30 20 DBED CC[C@@H](OC)C(=O)N1C[C@H]2CCN(CC(=O)NCC#N)C[C@H]21 1221417833 YIYCAHVBJPBIKB-JHJVBQTASA-N 308.382 -0.416 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)CCC(=O)N3CCOCC3)[C@@H]2C1 1222000798 YXSDTEIOHUKMNL-HUUCEWRRSA-N 319.405 -0.209 30 20 DBED Cc1nc[nH]c1C(=O)N1C[C@H]2CCN(CC(=O)NCC#N)C[C@H]21 1222135793 LOKSKIHBDJWCAI-VXGBXAGGSA-N 316.365 -0.496 30 20 DBED C#CCN1CCC(CNC(=O)CCn2cc[nH]c(=O)c2=O)CC1 1224856022 XOXKLKLFFRKGLI-UHFFFAOYSA-N 318.377 -0.612 30 20 DBED C[C@H]1CN(C)C[C@H]1C(=O)NC1CCN(CC(=O)NCC#N)CC1 1229185319 LGRPALGLXBMNJA-GXTWGEPZSA-N 321.425 -0.596 30 20 DBED CC#CCN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCS(=O)(=O)N1 1230163997 BGDJUEYTVSJWOL-JHJVBQTASA-N 313.423 -0.282 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@@H]1CN(C)C(=O)Cn1cccn1 1230763460 YLZSYATYRCLYSS-ZIAGYGMSSA-N 317.393 -0.446 30 20 DBED CN(C[C@H]1CCN1Cc1nnn(C)n1)C(=O)CSCC#N 1230814978 JKJFJNCCYXHTCT-SNVBAGLBSA-N 309.399 -0.500 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC[C@@H]1CNCC(N)=O 1270143169 HAAJKDUENWTNPK-CHWSQXEVSA-N 310.398 -0.477 30 20 DBED C[C@H](C#N)CN(C)C(=O)C(=O)Nc1ccn(CC(=O)N(C)C)n1 1320574919 XDNTURFCKUTSSP-SNVBAGLBSA-N 320.353 -0.472 30 20 DBED C=CC[C@H](CO)CNC(=O)C(=O)Nc1ccn(CCOC)n1 1320609379 GKJVWODJRMLEFR-NSHDSACASA-N 310.354 -0.231 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)NCc2cn3ccccc3n2)CCO1 1321582393 MJEBMAQARXDBNC-LBPRGKRZSA-N 313.317 -0.299 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)NCCN1CCOC(C)(C)C1 1323529396 YXZNAPKBZLUYEV-GFCCVEGCSA-N 313.398 -0.469 30 20 DBED C#CCn1cc(CNC(=O)c2coc(S(N)(=O)=O)c2)cn1 1324331838 LHRJXPVWJMLLFG-UHFFFAOYSA-N 308.319 -0.313 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CSCCS2)CCO1 1324694533 MFVIXLDSQJAKTH-ZJUUUORDSA-N 315.420 -0.298 30 20 DBED Cn1ccc(=O)n(CCCNC(=O)[C@@H](N)CCCC#N)c1=O 1326076327 CEGJNDHYFBMXCW-NSHDSACASA-N 307.354 -0.926 30 20 DBED COC(=O)[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](C#N)C2)C[C@H]1C 1326215376 LTWCQKNSHYVIHH-OUAUKWLOSA-N 309.322 -0.995 30 20 DBED C=CCNC(=O)C[S@@](=O)Cc1nnn(CC(F)(F)F)n1 1327381886 IZMDILWSLFLYQC-FQEVSTJZSA-N 311.289 -0.214 30 20 DBED N#CCC1(CNC(=O)C(=O)N2CC[C@@H]3NC(=O)CC[C@H]3C2)CC1 1329077361 SHEVHFSFNFBCSB-RYUDHWBXSA-N 318.377 -0.076 30 20 DBED C#CCOCCNC(=O)C(=O)N[C@H]1CCCc2c1cnn2C 1329101329 SFAMXUYZJFIKFY-LBPRGKRZSA-N 304.350 -0.320 30 20 DBED C#CCOCCn1nnnc1N1CCC[C@H](OC(=O)N(C)C)C1 1334392373 HOKMQPUKSUJDBK-LBPRGKRZSA-N 322.369 -0.010 30 20 DBED CN1CCN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)CC1(C)C 1336523841 YFNMYYARMKFBCR-OAHLLOKOSA-N 308.382 -0.584 30 20 DBED C=CCC1(O)CCN(C(=O)C(=O)N2CCN(CC)C(=O)C2)CC1 1338129967 KDIMGAUHGXWBAA-UHFFFAOYSA-N 323.393 -0.393 30 20 DBED N#C[C@@H]1CCCN(C(=O)C(=O)N2CCC3(CCNC3=O)CC2)C1 1338168362 CHBHOXVJWIDXBU-LBPRGKRZSA-N 318.377 -0.123 30 20 DBED CCN(CC)C(=O)N1CCC(C(=O)NCC(=O)NCC#N)CC1 1342730805 OIEPVECMOVPQJH-UHFFFAOYSA-N 323.397 -0.084 30 20 DBED C=CCn1c(C[C@H](C)O)nnc1N1CC[C@@H]2OCC(=O)N[C@H]2C1 1355960782 MHYXBZQTLBZAQL-SRVKXCTJSA-N 321.381 -0.519 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)c2ccc3[nH]c(=O)cnc3c2)CCO1 1365037150 XHOUAJNOAJXZBK-SECBINFHSA-N 320.330 -0.164 30 20 DBED COC(=O)[C@H]1C[C@@H](O)CN1C[C@H](O)COc1ccccc1C#N 1365321552 KGZVGPMGPUOOEL-HZSPNIEDSA-N 320.345 -0.094 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)C1(NC(N)=O)CC1 1371561980 GFMWDSVNUXCMCI-HBNTYKKESA-N 321.381 -0.109 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1cnn(CC2CC2)c1 1389131382 VRXRYPFERCBAGC-GWCFXTLKSA-N 319.365 -0.340 30 20 DBED CC(C)Cn1cc(C(=O)NC[C@H](O)CNC(=O)[C@@H](C)C#N)cn1 1399872746 PNHHNPOBKJMNPD-WCQYABFASA-N 321.381 -0.094 30 20 DBED COC(=O)NCC(=O)N1CC[C@@]2(CCN(C(=O)[C@H](C)C#N)C2)C1 1410858465 BELQEZLBJYELOX-IAQYHMDHSA-N 322.365 -0.047 30 20 DBED CCCN(CC(C)(C)O)C(=O)Cn1cc(C#N)c(O)nc1=O 1445413444 KSEZAVSJDIIDGR-UHFFFAOYSA-N 308.338 -0.170 30 20 DBED CN(CCNC(=O)c1cc(C#N)c[nH]1)C(=O)CN1CCOCC1 1448785240 NXKBAYHXBNHAFX-UHFFFAOYSA-N 319.365 -0.593 30 20 DBED CN(C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)c1nn[nH]n1 1470570374 ALLACNLQMSCFDS-UHFFFAOYSA-N 320.334 -0.351 30 20 DBED CCN1C[C@H](C(=O)NCCN(CC)C(=O)[C@H](C)C#N)CC1=O 1496787419 WFKVHOQWVIQDJV-VXGBXAGGSA-N 308.382 -0.021 30 20 DBED C=CCOCC(=O)N1C[C@H](NC(=O)CNC(=O)O)CC[C@@H]1C 1573368930 LMAOZAAZCILHOS-WDEREUQCSA-N 313.354 -0.048 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[nH]n3)nn2)C1 1573586273 NCYKUIFGIKKWQK-XHNCKOQMSA-N 313.325 -0.125 30 20 DBED C#CCN(CC(=O)O)C(=O)NCc1ncc2c(n1)CCOC2 1588408999 PDYXWKYSPODYSX-UHFFFAOYSA-N 304.306 -0.221 30 20 DBED C#CCN(CC(=O)O)S(=O)(=O)c1n[nH]c(C)c1C(=O)OC 1588425452 RZSJTBOGCDCDCU-UHFFFAOYSA-N 315.307 -0.787 30 20 DBED C=CCN1CC[C@@H](N(C)c2ccnc(-c3nn[nH]n3)n2)C1=O 1588655167 XETPBGKSTRNFQY-SECBINFHSA-N 300.326 -0.120 30 20 DBED C=CC[C@@H](OC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O)C(=O)O 1588754257 WGFGBXMMOVCPSR-JYESYGNLSA-N 308.290 -0.330 30 20 DBED O=C(N[C@H]1CCN(O)C1=O)c1ccc(-c2nn[nH]n2)c(O)c1 1592989184 ZUPGMBANFBXNJY-QMMMGPOBSA-N 304.266 -0.708 30 20 DBED COC(=O)c1cc(S(=O)(=O)N(CC#N)CC(=O)O)on1 1598951187 XWHNVAKIIHUDEW-UHFFFAOYSA-N 303.252 -0.940 30 20 DBED Cc1c(NC(=O)C(=O)N2CC[C@](C)(C#N)C2)cnn1CC(=O)O 1600027158 SVAAOVWCXVNTBG-CQSZACIVSA-N 319.321 -0.023 30 20 DBED N#Cc1ccc(C(=O)N2CC(NC(=O)[C@H]3C[C@H]3C(=O)O)C2)[nH]1 1601092384 MIECXJKPVGUYRH-VHSXEESVSA-N 302.290 -0.452 30 20 DBED C#CCN(CC(=O)O)C(=O)[C@@H]1CC[C@H](C(F)(F)F)NC1=O 1602682563 QDZRLKLUXPUJBD-HTQZYQBOSA-N 306.240 -0.010 30 20 DBED C#CCN(C)C(=O)C(=O)N1Cc2cccc(-c3nn[nH]n3)c2C1 1602716611 JEILPNDYCXRDGN-UHFFFAOYSA-N 310.317 -0.200 30 20 DBED C#CCn1ccc(CN(CCOC)[C@@H](C)C(=O)NCC(=O)O)n1 1602738219 PHSCHUZNMHKYRE-LBPRGKRZSA-N 322.365 -0.446 30 20 DBED N#C[C@@H]1CN(C(=O)N[C@H]2CCCCN(CC(=O)O)C2=O)CCO1 1605582844 FYUAFNMDGPNUHR-MNOVXSKESA-N 324.337 -0.614 30 20 DBED C=CCNC(=O)[C@H](C)N1CC[C@@H](NC(=O)Cn2ccnc2)C1 1715006402 KVKGPJVNVQDYKL-QWHCGFSZSA-N 305.382 -0.236 30 20 DBED COCC#CCNC[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(C)C2)C1 1752798431 ABHYSEPMJMRXHN-LSDHHAIUSA-N 321.421 -0.057 30 20 DBED C#CCNC(=O)CN[C@H](C)CNC(=O)Cc1cnccc1OC 1752883068 GMYZJNOBFVNNNR-GFCCVEGCSA-N 318.377 -0.524 30 20 DBED C#CCNC(=O)CN[C@@H](C)CCNC(=O)Cn1ccccc1=O 1753019827 QCHAIIZAEPHVOG-ZDUSSCGKSA-N 318.377 -0.918 30 20 DBED C=CCn1cc(C(=O)NCCN(C)[C@@H]2CCCNC2=O)nn1 1753066475 MBDFHQXRTNFCIZ-GFCCVEGCSA-N 306.370 -0.596 30 20 DBED C#CCNC(=O)CNC[C@H](C)N(C)C(=O)[C@]1(C)CCNC(=O)C1 1753699253 SVCVBAIXLIRQSN-BLLLJJGKSA-N 322.409 -0.911 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H](CNC(=O)c1cnon1)C(C)C 1753844332 ZSDGNNZZTHQXPG-WDEREUQCSA-N 307.354 -0.449 30 20 DBED C=CCN1CC[C@H](NCC[C@H](C)NC(=O)c2ncn(C)n2)C1=O 1753962637 VFRRWFGYARCXES-RYUDHWBXSA-N 320.397 -0.300 30 20 DBED C=CCN1CC[C@@H](NC[C@@H](C)NC(=O)Cc2n[nH]c(C)n2)C1=O 1754224892 BIXQHANIMOFIIY-ZYHUDNBSSA-N 320.397 -0.463 30 20 DBED C#CCN(C(=O)[C@@H]1CN(C)C(=O)N1)C1CCN(CC#N)CC1 1754639739 UQYBPSKQUTWUIM-ZDUSSCGKSA-N 303.366 -0.540 30 20 DBED Cc1nonc1CC(=O)N[C@@H](C)[C@@H](C)NCC(=O)NCC#N 1755261636 GEGHGWVMFZRPEV-BDAKNGLRSA-N 308.342 -0.957 30 20 DBED C=CCNC(=O)CN[C@H](C)[C@@H](C)NC(=O)c1cnc(OC)nc1 1755264412 WVOSWPOFQHCZDE-GHMZBOCLSA-N 321.381 -0.116 30 20 DBED COCC#CCN1CC([C@H](C)NC(=O)C[C@@H]2CC(=O)NC2=O)C1 1755392867 YKZKTQGMSJYYPY-NWDGAFQWSA-N 321.377 -0.875 30 20 DBED C#CCNC(=O)CN1C[C@H]2CC[C@H]1CN2C(=O)[C@@H](C)OCC#C 1755395855 ZXWKLWZQXAAJLH-QLFBSQMISA-N 317.389 -0.551 30 20 DBED C#CCNC(=O)CN1C[C@H]2CC[C@H]1CN2C(=O)c1ccncn1 1755398017 CUDOXYKHZLBDIC-QWHCGFSZSA-N 313.361 -0.485 30 20 DBED CCC(=O)N[C@H](C)C(=O)NC[C@H]1[C@@H]2CN(CC#CCOC)C[C@H]12 1755424591 ZYMQYYPMJQJRIT-TUVASFSCSA-N 321.421 -0.155 30 20 DBED O=C1N[C@@H](C(=O)NC[C@H](CO)NCC#Cc2ccccc2)CO1 1755624960 BNLBBZQEGOEPSV-ZIAGYGMSSA-N 317.345 -0.787 30 20 DBED COCC#CCN[C@@H](CO)CNC(=O)c1cc(C)nnc1C 1755628683 BQUNANJQWZCIKX-CYBMUJFWSA-N 306.366 -0.576 30 20 DBED CC#CCN[C@@H]1C[C@H](C)N(C(=O)c2cn(C)c(=O)n(C)c2=O)C1 1755687092 SMGKYAPUGFXXNM-NWDGAFQWSA-N 318.377 -0.700 30 20 DBED C#CCCCCC(=O)NC1CC(CNC(=O)Cn2cnnn2)C1 1755932328 OHPDWAVQWGAMKD-UHFFFAOYSA-N 318.381 -0.122 30 20 DBED CC(C)C#CC(=O)N1C[C@@H]2C(CNC(=O)[C@H]3COC(=O)N3)[C@H]2C1 1756200268 QBFLQWOAJGJUSF-JHJVBQTASA-N 319.361 -0.425 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](C)CCCNC(=O)c1ccc(=O)n(C)n1 1756341411 IQQBAJKPCGUQOP-WDEREUQCSA-N 319.365 -0.045 30 20 DBED C=CCOCC(=O)N[C@H](CO)CNC(=O)c1ccc(C#N)[nH]1 1756513525 JLEGRBRSFKBFIA-NSHDSACASA-N 306.322 -0.704 30 20 DBED C#CCCCCC(=O)N[C@H](CO)CNC(=O)c1ccnnc1 1756551841 KAWRCBGKJHQKHO-ZDUSSCGKSA-N 304.350 -0.123 30 20 DBED C=CCCOCC(=O)N(C)C[C@H]1CCN1C(=O)c1nnn(C)n1 1757293206 CUPLMFDCMPHHAG-LLVKDONJSA-N 322.369 -0.524 30 20 DBED N#CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1csnn1 1793497516 MZFLINAREFMXOD-BZBKMWRSSA-N 321.362 -0.345 30 20 DBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccno1)CCO2 1834155051 YVIOKMIJJODWQX-HNNXBMFYSA-N 319.317 -0.622 30 20 DBED C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)C(N)=O)c1 53395784 DLJIHPQJKDSJFQ-VIFPVBQESA-N 311.363 -0.246 30 20 DBED C[C@H](Oc1ccc(C#N)cc1)C(=O)N(CC(N)=O)CC(N)=O 68340483 WPKAKMCALJPHPU-VIFPVBQESA-N 304.306 -0.875 30 20 DBED C=CCN(C(=O)CNC[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 152670437 PRSAMOVXZGDBLO-CHWSQXEVSA-N 316.423 -0.043 30 20 DBED CCCn1c(N)c(C(=O)CN(C)[C@@H](C)CC#N)c(=O)[nH]c1=O 161862522 NGUNJKRMAZFQJA-VIFPVBQESA-N 307.354 -0.055 30 20 DBED N#C[C@H]1COCCN1S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 173582998 GCHGLBDVQQJUCN-QMMMGPOBSA-N 308.319 -0.231 30 20 DBED CC(C)[C@H](C#N)NC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 266295664 BKUBZTUVRWVWFJ-YQPPGCHHSA-N 305.334 -0.187 30 20 DBED Cn1nncc1/C(O)=N/CCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 328677105 RZCYGJZQCNEJGC-FSZOTQKASA-N 315.333 -0.073 30 20 DBED O=S1(=O)CCCC[C@H]1C/N=C(/O)N1C[C@H]2COC[C@@H](C1)O2 328757525 VCVPEIVXTMUOQT-TUAOUCFPSA-N 318.395 -0.033 30 20 DBED CC[C@@H](C)NC(=O)CN1CCN(C(=O)CN/C(O)=N/C)CC1 330538060 WPQBJXUCCFXJIQ-LLVKDONJSA-N 313.402 -0.821 30 20 DBED CN1C(=O)c2ccc(C(=O)NCCn3cnc(C#N)n3)cc2C1=O 342874927 ULIZJIGIXNOJSY-UHFFFAOYSA-N 324.300 -0.194 30 20 DBED Cc1ccc(CNC(=O)NCC(=O)NCC(=O)NCC#N)cc1 343501565 BFGHVRMMNSCHEP-UHFFFAOYSA-N 317.349 -0.450 30 20 DBED COC(=O)CCN1CC[C@@H](NC(=O)c2cc(C#N)cn2C)C1=O 346822874 JJZCMYNSRBDQPC-LLVKDONJSA-N 318.333 -0.209 30 20 DBED COC(=O)CCN1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)C1=O 347334044 SDUZLLZLKJBUFJ-NSHDSACASA-N 304.306 -0.220 30 20 DBED CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCC(=O)c1ccc(C#N)cc1 356167572 RVSZHSNXZMZVBV-ZIAGYGMSSA-N 315.329 -0.161 30 20 DBED CC(C)CNS(=O)(=O)CCCS(=O)(=O)N(C)CC#N 356881914 SRUJIANTGKOALT-UHFFFAOYSA-N 311.429 -0.263 30 20 DBED CNC(=O)[C@@H](CO)NS(=O)(=O)c1cc(C#N)ccc1Cl 360131760 MZJMNYXYRPSIJM-SECBINFHSA-N 317.754 -0.403 30 20 DBED C=C[C@H](C)NC(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 362368355 AMJFTDSCHAFCNR-UWVGGRQHSA-N 303.384 -0.447 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1CCN([C@H]2CCOC2)CC1 367400400 BWQDEHINAWEKSK-STQMWFEESA-N 310.398 -0.207 30 20 DBED N#C[C@H]1CN(S(=O)(=O)N[C@H]2c3ccccc3C[C@H]2O)CCO1 410131330 CAUOLGFNCRWSLK-YUTCNCBUSA-N 323.374 -0.297 30 20 DBED CC[C@H]1CN(CC)CCN1S(=O)(=O)N1CCO[C@@H](C#N)C1 451937757 VSGPUBIQKOKMGC-STQMWFEESA-N 316.427 -0.128 30 20 DBED C[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)cc2C#N)CC(=O)N1 453922548 QJMLSUBKUGVYQA-MRVPVSSYSA-N 304.281 -0.017 30 20 DBED C=CCN(C)C(=O)NCCNS(=O)(=O)Cc1ccon1 488730900 IJXAQLNFCWEAJK-UHFFFAOYSA-N 302.356 -0.079 30 20 DBED C#CCN1CCN(C(=O)CN2CCC[C@@H](CCC(N)=O)C2)CC1 490781210 YTROKXQOLNHHSV-HNNXBMFYSA-N 320.437 -0.259 30 20 DBED C#CCN1CCN(C(=O)CN2CCC[C@@]23CCOC3=O)CC1 491040637 WDOIOQFXLOMVHR-INIZCTEOSA-N 305.378 -0.455 30 20 DBED C[C@@H]1CO[C@H](CO)CN1C(=O)C(=O)Nc1cccc(C#N)n1 567834846 JUMUJJNSYYGHJK-KOLCDFICSA-N 304.306 -0.500 30 20 DBED N#Cc1cccc(S(=O)(=O)NCC(=O)NC[C@@H](O)C2CC2)c1 575223653 CBWRGXKUCOZDOX-CYBMUJFWSA-N 323.374 -0.276 30 20 DBED CN(C[C@H]1CCCN1C)C(=O)C(=O)N1CCN(CCC#N)CC1 601497358 SYIJUKJVRSJJJZ-CQSZACIVSA-N 321.425 -0.403 30 20 DBED CCN(CCC#N)C(=O)Cn1cc(CCN2CCOCC2)nn1 603208267 GXSOKEPFDYLWKI-UHFFFAOYSA-N 320.397 -0.085 30 20 DBED CC(C)NS(=O)(=O)NCCNC(=O)N1CC[C@](F)(C#N)C1 617547255 TVNSICXLKPZMOE-NSHDSACASA-N 321.378 -0.534 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2OC)nn1 617868759 KQANAMTXGWOPCD-ZJUUUORDSA-N 300.340 -0.994 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@H](N)[C@@H](CC)C2)C1=O 648125741 UFOFNSUUYMYZCY-WDEREUQCSA-N 322.365 -0.451 30 20 DBED C=CC[C@H]1CCCN(C(=O)C(=O)N2C[C@H]3C(=O)NC(=O)[C@H]3C2)C1 658811101 HDEKAHMOJZNSFN-SDDRHHMPSA-N 319.361 -0.468 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)[C@@H]1CCCCS1(=O)=O 772401312 GBROQJOFHZHMNK-VIFPVBQESA-N 318.351 -0.491 30 20 DBED C#CCOCCNC(=O)c1ccc(CNS(C)(=O)=O)o1 784596189 YFBPTCFWLCQPPD-UHFFFAOYSA-N 300.336 -0.292 30 20 DBED C[C@H](NC(=O)NCCNc1ccc(C#N)cn1)c1nnnn1C 790175272 DRQQKFFCKDXEBB-VIFPVBQESA-N 315.341 -0.051 30 20 DBED C=CCN1CC[C@@H](N(C)CN2C(=O)N[C@](C)(COC)C2=O)C1=O 799143133 GEXCHLCOFZZVFO-IAQYHMDHSA-N 324.381 -0.381 30 20 DBED N#CCNC(=O)CNC(=O)Cn1cccc(C(F)(F)F)c1=O 804819920 RIBJMIQRZSLUSB-UHFFFAOYSA-N 316.239 -0.377 30 20 DBED CC#CCS(=O)(=O)NC(=O)c1ccc(CNC(N)=O)cc1 810774099 BZKPXQMKHPNWTC-UHFFFAOYSA-N 309.347 -0.062 30 20 DBED C=CCn1cc(CNC(=O)NCCN2CCO[C@H](C)C2)nn1 824278887 KPFVRBIKNQABIE-GFCCVEGCSA-N 308.386 -0.016 30 20 DBED CN1CCN(C(=O)CN(C)C(=O)c2cnccc2C#N)CC1 825292392 ICYSPUSULQAJRR-UHFFFAOYSA-N 301.350 -0.201 30 20 DBED C#Cc1cccc(CNC(=O)C(=O)NCCN2CCNCC2)c1 842032664 GWDYYPGVEGQWAK-UHFFFAOYSA-N 314.389 -0.695 30 20 DBED CCONC(=O)CNC(=O)C(=O)Nc1cccc(C)c1C#N 846131253 NFJDKHVQFRIHEU-UHFFFAOYSA-N 304.306 -0.011 30 20 DBED C#CCN(C)CCCNC(=O)c1cn(C[C@@H]2CCOC2)nn1 861838039 OSRODHKNHRIUOQ-ZDUSSCGKSA-N 305.382 -0.001 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@]2(CC)CCNC2=O)CC1 864655486 CVSQIZZYJCCDDQ-MRXNPFEDSA-N 322.409 -0.651 30 20 DBED CN1CCN(c2ncc(CN[C@@H]3CCCN(O)C3=O)cn2)CC1 895167521 WZLLHGRHFLTBJP-CYBMUJFWSA-N 320.397 -0.302 30 20 DBED CCCCCNC(=O)[C@@H](C#N)C(=O)CN(C)S(C)(=O)=O 916877963 NGOINTOPJBDNLW-JTQLQIEISA-N 303.384 -0.107 30 20 DBED C#CCNC(=O)COC(=O)CCNC(=O)OCC(F)(F)F 919628378 RXNGRYDGCJNXAE-UHFFFAOYSA-N 310.228 -0.042 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cnnn2C)C1 938860853 RGRNATGRDHHREL-LOWVWBTDSA-N 319.365 -0.263 30 20 DBED Cn1nncc1C(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 940226114 LCYLWGDUTQGAFQ-SNVBAGLBSA-N 313.321 -0.341 30 20 DBED C[C@@H](C#N)C(=O)N1CCCN(C(=O)[C@H]2CN(C)CCO2)CC1 940593381 BCMGYSABKSTRND-QWHCGFSZSA-N 308.382 -0.462 30 20 DBED C=CCN1CC[C@@H](NC(=O)Cn2ccc(O)nc2=O)[C@H](C)C1 942313610 KAOOGRZMAQFIMJ-VXGBXAGGSA-N 306.366 -0.039 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C2CC2)C[C@H]1OC 942516538 IPDXKEBUFWHGOK-QLFBSQMISA-N 319.405 -0.164 30 20 DBED CO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1NC(=O)Cc1cncn1C 943580203 ONWKHDWKWVYVEF-CYZMBNFOSA-N 319.365 -0.536 30 20 DBED Cc1nnsc1C(=O)NC[C@H]1CN(C(=O)[C@@H](C)C#N)CCO1 944472021 XIUDDFZRTDSHIZ-WPRPVWTQSA-N 323.378 -0.037 30 20 DBED C[C@H](C#N)C(=O)N1CCC2(CC1)CN(C(=O)c1nnn(C)n1)C2 945035413 OHEJDSFCWXUVJZ-SNVBAGLBSA-N 317.353 -0.566 30 20 DBED C[C@H](C#N)C(=O)N1CCC(O)(CN[C@H]2CCCNC2=O)CC1 946918895 VBQIKKYTOHLVNN-NEPJUHHUSA-N 308.382 -0.632 30 20 DBED C#CCN1CC[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)C[C@H]1C 947985436 LMMAZGVWYWHKNR-DGCLKSJQSA-N 305.382 -0.507 30 20 DBED C[C@H]1C[C@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)CCN1CC#N 947999204 WBHADNBLQFOERF-WDEREUQCSA-N 321.381 -0.191 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)[C@H]1C[C@H]1C(N)=O)CCO2 949191514 OMYGKZSZPRMDGA-OLZOCXBDSA-N 305.378 -0.566 30 20 DBED C#Cc1cncc(C(=O)N[C@]2(C)CCN(C(=O)CC(N)=O)C2)c1 957534911 BMXBBTOJQFWSOR-MRXNPFEDSA-N 314.345 -0.341 30 20 DBED CC#CCN1C[C@H](O)[C@H](CNC(=O)c2cnc3n2CCC3)C1 958149943 XQOPQIIRMKPYSQ-OCCSQVGLSA-N 302.378 -0.125 30 20 DBED C=CCn1cc(C(=O)N(C)[C@H]2CN(C(=O)C(C)C)C[C@@H]2O)nn1 958849376 NTNDVQXYWOFZBQ-STQMWFEESA-N 321.381 -0.236 30 20 DBED C=C(Cl)CN1C[C@H]2C(NC(=O)C3CS(=O)(=O)C3)[C@@H]2C1 960064552 GQUHQFFAJNLJRR-NXEZZACHSA-N 304.799 -0.170 30 20 DBED Cc1ncoc1C(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 962080801 UKCVKHPKYRTKEF-NEPJUHHUSA-N 303.318 -0.302 30 20 DBED CCN(C(=O)[C@@H]1CCCN1C(N)=O)C1CN(C(=O)[C@H](C)C#N)C1 968104934 NRZFVVPTVPCBKY-PWSUYJOCSA-N 321.381 -0.252 30 20 DBED Cn1nnc(CN[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)n1 968341497 RRGXBEYVWZVQID-SNVBAGLBSA-N 300.326 -0.586 30 20 DBED CC#CCN1C[C@H](NC(=O)CN2C(=O)CN(C)C2=O)C(C)(C)C1 977568945 TXVFSXQJVOLKEK-LBPRGKRZSA-N 320.393 -0.270 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)CC(N)=O 977931272 UXRCEUUBTWZZQP-STQMWFEESA-N 320.393 -0.981 30 20 DBED C#CCN[C@H]1CCC[C@@H](NC(=O)CN2CCC(=O)NC2=O)C1 981439264 CDMCCGKWKMPIEQ-NWDGAFQWSA-N 306.366 -0.422 30 20 DBED C[C@@H]1[C@H](NCC#N)CCN1C(=O)CCn1cc[nH]c(=O)c1=O 987192379 RGGJJTFLRSJVGV-GHMZBOCLSA-N 305.338 -0.971 30 20 DBED C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)Cn2ncn(C)c2=O)C1 989061388 FHZAYMYCMRWODM-WDEREUQCSA-N 313.789 -0.087 30 20 DBED N#CCN1CC[C@]2(NC(=O)CN3CCC(=O)NC3=O)CCC[C@@H]12 992428459 MERPDVUJNJXISI-IAQYHMDHSA-N 319.365 -0.435 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCC1CCN([C@@H](C)C(N)=O)CC1 1001488795 AXRYBGGAWMTDHC-ZFWWWQNUSA-N 320.437 -0.214 30 20 DBED N#Cc1cc(C(=O)NCC2CN(C(=O)[C@@H]3CCNC3=O)C2)c[nH]1 1001502620 MZJUIGCKWGRVFD-GFCCVEGCSA-N 315.333 -0.789 30 20 DBED C=CCn1cc(C(=O)NCC2CN(C(=O)[C@H]3CCOC3)C2)nn1 1001959957 FHEMHFZLYQXXLX-LBPRGKRZSA-N 319.365 -0.311 30 20 DBED C[C@@H](C#N)C(=O)N1CC(CNC(=O)c2ccc(=O)n(C)c2)C1 1003121317 LFIPHTSSDIDHKP-JTQLQIEISA-N 302.334 -0.267 30 20 DBED CC(=O)N1CC(C(=O)NCC2[C@@H]3CN(C(=O)[C@H](C)C#N)C[C@@H]23)C1 1008993338 PYNLVQDHMXSUMW-IIMNLJJBSA-N 318.377 -0.555 30 20 DBED N#Cc1cccc(CN2CC[C@@H](NC(=O)Cn3ncnn3)C2)c1 1014427252 JEASWSYHBMAXDP-CQSZACIVSA-N 311.349 -0.065 30 20 DBED CC#CCN1CC[C@H](NC(=O)[C@@H]2CCc3nnc(O)n3C2)C1 1014996024 LLXHVJQLUOQRQH-NEPJUHHUSA-N 303.366 -0.240 30 20 DBED C#CCN1CCN(C(=O)[C@@H]2CCCN(C(=O)COC)C2)CC1 1018357227 CJJSSGYDKNJVGN-CQSZACIVSA-N 307.394 -0.351 30 20 DBED N#CCN[C@H]1C[C@H](NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 1020150094 KZDKSCZLGBWFCO-GMTAPVOTSA-N 302.338 -0.477 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CN(C(=O)c3ccon3)C[C@H]2O)c[nH]1 1023455387 XMMQNJMKYFOEHL-VXGBXAGGSA-N 315.289 -0.510 30 20 DBED Cc1c(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2O)ccn1C 1025515185 LYZSUBRNUKDBKP-ZWKOPEQDSA-N 304.350 -0.205 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)c3cnn(C)c3N)C2)C1=O 1030242867 OHGSTKSTFLYXQX-GFCCVEGCSA-N 318.381 -0.797 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2CCCN1C(=O)CNC1=O 1032317983 DRZGNSKGKUJWTH-WOPDTQHZSA-N 319.365 -0.627 30 20 DBED Cn1cc(C(=O)N[C@H]2CCCCN(CC#N)C2)c(O)nc1=O 1034523512 GMJASVUMUSZLKK-JTQLQIEISA-N 305.338 -0.406 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)c2cn(CCOC)nc2C)C1 1035372227 YSAVLAKYWIPUNO-AWEZNQCLSA-N 320.393 -0.098 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)c2nc3ncccn3n2)C1 1035549271 KBLYXUXEPSDXDT-NSHDSACASA-N 300.322 -0.812 30 20 DBED C#CCN1CC2(CCN(C(=O)C3CC(=O)NC(=O)C3)CC2)C1 1035820346 TWBFFJQFDWXHIU-UHFFFAOYSA-N 303.362 -0.403 30 20 DBED C#CCN[C@H]1CCN(C(=O)CCn2ncn(C)c2=O)C[C@H]1C 1036115152 KTAUWJQAFYYWOK-OLZOCXBDSA-N 305.382 -0.568 30 20 DBED Cn1cnc(C(=O)N2CC[C@H]3[C@H](CCN3CC#N)C2)cc1=O 1036739614 BKRMVZPSDYVKTG-YPMHNXCESA-N 301.350 -0.160 30 20 DBED C=CCCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1cc(=O)n2[nH]cnc2n1 1037672665 OIDMBCZGNSNHOQ-SUZMYJTESA-N 314.349 -0.204 30 20 DBED N#CCN1CC[C@@H]1CNC(=O)c1ccccc1OCC(N)=O 1038489331 QADJBFHHCCQQIJ-LLVKDONJSA-N 302.334 -0.122 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@]1(O)CCN(C(=O)c2cnco2)C1 1039579794 KGLYEYIFBHVATN-CABCVRRESA-N 323.349 -0.305 30 20 DBED CC(C)C#CC(=O)NC[C@]1(O)CCN(C(=O)[C@H]2CCN(C)C2)C1 1039668601 ZRSKYGOXXBLEIG-WMLDXEAASA-N 321.421 -0.323 30 20 DBED N#Cc1cccnc1N1CCO[C@@H]2CCN(C(=O)C(N)=O)C[C@H]21 1040001892 WRGOTUMAXPGAIO-VXGBXAGGSA-N 315.333 -0.755 30 20 DBED C[C@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)CCc2ccon2)C1 1040764975 DIHLTSBZEDKFOY-ABAIWWIYSA-N 320.349 -0.154 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3COCCO3)C2)nc1 1040928096 HPYJWBFIUWLMIZ-UPJWGTAASA-N 318.333 -0.966 30 20 DBED Cc1n[nH]cc1C(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1O 1041269757 DJFAEWQABRIUEF-VXGBXAGGSA-N 313.321 -0.641 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)CCn2cccn2)C1 1041540109 NXOYZSIJLFOXOQ-NSHDSACASA-N 305.338 -0.878 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(O)(CNC(=O)[C@H](C)OCC)C1 1041627832 QRLJCPQUZFLCOR-SMDDNHRTSA-N 314.382 -0.572 30 20 DBED N#Cc1ccc(C(=O)N2CC(O)(CNC(=O)[C@H]3CCOC3)C2)[nH]1 1041874866 WLWHFNJEOFHPME-JTQLQIEISA-N 318.333 -0.774 30 20 DBED C#CCN1CC[C@@H]2CCN(C(=O)CN3CCCNC3=O)C[C@@H]21 1042137025 YIXKAAMTNGPMCC-KGLIPLIRSA-N 304.394 -0.042 30 20 DBED C#CCCN1CC(N(C)C(=O)[C@H]2CC(=O)N(CCOC)C2)C1 1042834450 FENANDHAPIHJHO-ZDUSSCGKSA-N 307.394 -0.353 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)[C@H]2OCC[C@H]2C)C1 1042941325 MEOOCQIKLCUCTB-OCCSQVGLSA-N 308.378 -0.240 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)[C@H]2C[C@H](C)CO2)C1 1044573308 ZZRWMBASSAAFKZ-QWHCGFSZSA-N 324.377 -0.859 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)[C@@H](F)C(C)C)C1 1044965664 QESPTEJDSSTBIV-ZDUSSCGKSA-N 314.357 -0.290 30 20 DBED C=C(C)C[C@@H](C)C(=O)NCC1(O)CN(C(=O)CC(=O)NC)C1 1045055832 ZNIOQSCUQFDZAC-LLVKDONJSA-N 311.382 -0.586 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)CCc2ccncc2)C1 1045564965 PCARGSFNSUXHHG-GFCCVEGCSA-N 316.361 -0.137 30 20 DBED CCCn1cc(C(=O)NCC2(O)CN(C(=O)[C@H](C)C#N)C2)nn1 1045569474 NJFPCKQBVQVHCA-SNVBAGLBSA-N 320.353 -0.849 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)Cn2cc(C3CC3)nn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c2ncn(C)n2)C[C@@H]1O 1049355568 GERIGJXOSQCZLK-RYUDHWBXSA-N 321.381 -0.185 30 20 DBED C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCS(=O)(=O)N1 1049901208 XPFHJSUTXIRJQT-RWMBFGLXSA-N 313.423 -0.071 30 20 DBED CC(C)(C)n1nnc(C(=O)NC[C@@H]2COCCN2CC#N)n1 1050926693 DONKSLSZJCQABE-SNVBAGLBSA-N 307.358 -0.618 30 20 DBED CNC(=O)NCC(=O)N1CC[C@@H]([C@H](C)NC(=O)C#CC(C)C)C1 1050936430 YWXGYTKFBPZGGB-QWHCGFSZSA-N 322.409 -0.072 30 20 DBED N#Cc1cccnc1N1CC[C@H](NC(=O)c2nc[nH]n2)[C@@H](O)C1 1051710652 CPONDMKDZLOJLL-QWRGUYRKSA-N 313.321 -0.559 30 20 DBED C#CCOCCC(=O)NC[C@H]1CN(C(=O)CNC(C)=O)C[C@@H]1C 1051852929 ZPSZIGWCXAKKMM-JSGCOSHPSA-N 323.393 -0.627 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H]1CN(C(=O)C(C)C)C[C@@H]1C 1052006053 BBYIHPBMUJQBLH-STQMWFEESA-N 307.394 -0.007 30 20 DBED Cn1nccc1CCC(=O)N1CCOC2(CN(CC#N)C2)C1 1053275606 MZWDDHYBVCHGEF-UHFFFAOYSA-N 303.366 -0.211 30 20 DBED C[C@H]1C[C@@H](C(=O)N2CCOC3(CN(CC#N)C3)C2)CC(=O)N1 1053322195 WBJFEZABCOZAST-NWDGAFQWSA-N 306.366 -0.662 30 20 DBED C=C(C)CN1CC2(C1)CN(C(=O)c1cn(C)c(=O)cn1)CCO2 1053350668 KPBGYMSWHFPOFY-UHFFFAOYSA-N 318.377 -0.117 30 20 DBED C#CCCN1CC2(C[C@@H](NC(=O)c3cn(C)c(=O)n3C)CO2)C1 1054019332 UGNDJELTYNBWFB-GFCCVEGCSA-N 318.377 -0.680 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)[C@H](C)N3CCOCC3)CO2)C1 1054025691 FOZFEGRSCBJIPF-GJZGRUSLSA-N 321.421 -0.310 30 20 DBED C#CCOCCC(=O)N1C[C@H]2CN(C(=O)COCC)C[C@H]2C1 1055144474 IWWWKYMUEDBANQ-OKILXGFUSA-N 308.378 -0.020 30 20 DBED N#Cc1cnc(N2CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)cn1 1055862451 FPVDJJVMWMAVTD-NSHDSACASA-N 300.322 -0.725 30 20 DBED C=CCOCC(=O)N1CC[C@@H]2[C@H]1CCCN2C(=O)CNC(C)=O 1056196169 ZBAZARSMYDFXMX-ZIAGYGMSSA-N 323.393 -0.083 30 20 DBED N#Cc1cncc(N[C@@H]2CCN(C(=O)[C@H]3CCC(=O)N3)C2)n1 1056590740 GXHJTJMAPHHPLW-MWLCHTKSSA-N 300.322 -0.360 30 20 DBED N#CCSCC(=O)NCCN(CCO)C(=O)c1cnccn1 1056834234 UQCUVUXCYCOZQP-UHFFFAOYSA-N 323.378 -0.716 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)c1cccnn1 1057193315 DFZIIUPFGJOVCS-UHFFFAOYSA-N 308.338 -0.770 30 20 DBED Cc1cc(C#N)nc(N2CC[C@H](NC(=O)Cn3cnnn3)C2)n1 1058308247 MECRFYCKWLEFQJ-JTQLQIEISA-N 313.325 -0.962 30 20 DBED C=CCCOCC(=O)NCCN(CCO)C(=O)c1ccncn1 1058504908 HUTPKOXNSAUTLJ-UHFFFAOYSA-N 322.365 -0.380 30 20 DBED C#CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)c1cccnn1 1058528034 RZQLKCDQVOXFAN-LBPRGKRZSA-N 320.349 -0.934 30 20 DBED COc1cccc(C(=O)N(CCO)CCNC(=O)[C@H](C)C#N)n1 1058691442 STVJULGIOGAHFF-LLVKDONJSA-N 320.349 -0.199 30 20 DBED CN1CCOC[C@@H]1C(=O)N[C@H]1C[C@H](Nc2cncc(C#N)n2)C1 1059187160 YRQRZBBVCJMXLF-NQBHXWOUSA-N 316.365 -0.262 30 20 DBED CN1C[C@@H](C(=O)N[C@H]2C[C@H](N=c3cc[nH]cc3C#N)C2)NC1=O 1059366123 FQNYUNBZAKLYBJ-GVXVVHGQSA-N 314.349 -0.542 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](CCNC(=O)c2cnnn2C)C1 1060289125 JUDKILCSOMWFCF-QWRGUYRKSA-N 304.354 -0.057 30 20 DBED C=CCOCC(=O)N1CC2(CCN(C(=O)CC(N)=O)CC2)C1 1060952277 YLZBKKDZYMUQFL-UHFFFAOYSA-N 309.366 -0.485 30 20 DBED C=CCCC(=O)N1CCOC[C@@H]1CNC(=O)C[C@@H]1CCNC1=O 1061640431 ZLJBTBVMZXGXKL-STQMWFEESA-N 323.393 -0.178 30 20 DBED C=CCOCC(=O)N1CCOC[C@@H]1CNC(=O)CCN(C)C 1061858923 ALPAPTGQOGBTCU-ZDUSSCGKSA-N 313.398 -0.516 30 20 DBED C=C1CC(C)(C(=O)NC[C@H]2CN(C(=O)CC(=O)NC)CCO2)C1 1065082519 YALRVTMBPMJFFA-LBPRGKRZSA-N 323.393 -0.178 30 20 DBED C=C(C)CCC(=O)NC[C@H]1CN(C(=O)c2nnn(C)n2)CCO1 1065470239 WUFNDCZRBHPSCW-NSHDSACASA-N 322.369 -0.476 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCOC2(C1)CN(C(=O)[C@@H](C)C#N)C2 1068388973 SWHDCUFZJKERAM-SWLSCSKDSA-N 321.377 -0.087 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1COC2(C1)CN(C(=O)c1cnon1)C2 1069003184 KSOMGQCUCYANED-IUCAKERBSA-N 305.294 -0.671 30 20 DBED C=CCCOCC(=O)N[C@@H]1CCCN(C(=O)[C@H]2CCC(=O)N2)C1 1070551325 LFJLUVDTEBILBP-CHWSQXEVSA-N 323.393 -0.035 30 20 DBED C=CCO[C@@H](C)C(=O)N[C@@H]1CCCN(C(=O)CC(=O)NC)C1 1070654858 MBKSTRIMHHSOOY-NWDGAFQWSA-N 311.382 -0.179 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(C(=O)c2cc[nH]n2)C[C@H]1C 1071652094 QNBJXVFHRVFHIU-ZYHUDNBSSA-N 317.349 -0.874 30 20 DBED C#CCCCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)c2nnn(C)n2)C1 1071930280 ZIGAQSKPBJSPCQ-NEPJUHHUSA-N 318.381 -0.020 30 20 DBED C=CCOCC(=O)N[C@H]1CN(C(=O)c2cnn(C)c2N)C[C@H]1C 1071948577 JMVOOFFYVVUZJG-PWSUYJOCSA-N 321.381 -0.218 30 20 DBED N#CCN1CCO[C@H]2CCN(C(=O)CN3CCCC3=O)C[C@H]21 1074160397 RQJXJSCDVFPQJB-OLZOCXBDSA-N 306.366 -0.566 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(O)(CNC(=O)CCCN(C)C)CC1 1074704760 HQJAVJRDPWSNJX-ZDUSSCGKSA-N 324.425 -0.042 30 20 DBED C[C@@H](CCNC(=O)CSCC#N)NC(=O)CCCC(N)=O 1075679095 GFNIFWZJUMNPDK-JTQLQIEISA-N 314.411 -0.090 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)[C@H]1CCOC1 1075848369 YSBODOVWLAKFCM-RYUDHWBXSA-N 309.366 -0.827 30 20 DBED C=CCOCC(=O)NCC[C@H](C)NC(=O)C1(NC(N)=O)CC1 1075917744 HHUYGTHOFUVISR-JTQLQIEISA-N 312.370 -0.599 30 20 DBED C#CCOCCC(=O)NCC[C@H](C)NC(=O)CCn1cncn1 1076504270 TXQQSPOAELLIHN-ZDUSSCGKSA-N 321.381 -0.281 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)Cc2cn3c(n2)CCCC3)C1 1077033444 WNQWBBLQFQXIJB-ZIAGYGMSSA-N 302.378 -0.444 30 20 DBED C=CCCOCC(=O)NCC[C@H](C)NC(=O)CNC(=O)OC 1077061654 BYVJMOYGOCKZML-NSHDSACASA-N 315.370 -0.054 30 20 DBED C#CCOCCC(=O)N[C@@H](C)CCNC(=O)C[C@H]1CCC(=O)N1 1077335968 JTDBJYGSWZKSFS-QWHCGFSZSA-N 323.393 -0.294 30 20 DBED C[C@@H](CCNC(=O)[C@H](C)C#N)NC(=O)CCN1C(=O)CCC1=O 1078133201 CSOUYTKPJGSWOJ-MNOVXSKESA-N 322.365 -0.304 30 20 DBED Cn1c(O)ncc(C(=O)N2C[C@H]3CC[C@H]2[C@@H](NCC#N)C3)c1=O 1079013189 UUKOUXVIQBKQGU-DLOVCJGASA-N 317.349 -0.408 30 20 DBED CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)C2CS(=O)(=O)C2)C1 1080414222 GYPOWMIIHNKRKN-VIFPVBQESA-N 313.379 -0.750 30 20 DBED C=CCCC1(C(=O)N2CCC(CO)(NC(=O)C(N)=O)CC2)CC1 1080975933 FRDVDTOQNFXMEV-UHFFFAOYSA-N 323.393 -0.312 30 20 DBED C[C@H](C#N)C(=O)NC1(CO)CCN(C(=O)c2ccnnc2)CC1 1080982105 TWXCICZMGREBAL-LLVKDONJSA-N 317.349 -0.280 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2ccncn2)C[C@H]1O 1081344742 UNLHLFGHZTVIAU-WCQYABFASA-N 320.349 -0.772 30 20 DBED CC#CCN1C[C@@H](NC(=O)[C@@H]2CCCC(=O)N2C)[C@H](OC)C1 1082350157 IXDKIPKBGLBSPB-HZSPNIEDSA-N 307.394 -0.164 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cccc(C(N)=O)c1 1083122563 ABOCCMFJGBBIBL-LSDHHAIUSA-N 313.357 -0.056 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CCNC(=O)CC1 1083153908 VHQPBLDQNVFGSC-FRRDWIJNSA-N 306.366 -0.662 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cnc2cccnn12 1083216983 AHAXWVCIIOZMFB-QWHCGFSZSA-N 312.333 -0.222 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCCN(C(=O)CC)C2)C1 1083483538 YOBAQKPKMOMRPU-MJBXVCDLSA-N 307.394 -0.571 30 20 DBED C=CCN1CC[C@H](N2C[C@H](O)[C@H](NC(=O)C(C)(C)C)C2)C1=O 1083979473 BEGUVDHLXUSGCB-AGIUHOORSA-N 309.410 -0.019 30 20 DBED C#CCN1CC[C@H]1CN(C)C(=O)c1nc(O)nc(O)c1OC 1085924134 OGYVNFKZFIHYSY-VIFPVBQESA-N 306.322 -0.324 30 20 DBED CCN(c1cncc(C#N)n1)[C@H](C)CNC(=O)[C@H]1COC(=O)N1 1089635910 GFPQBWXFAWVPJT-MWLCHTKSSA-N 318.337 -0.212 30 20 DBED CO[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1NC(=O)CC(N)=O 1090876685 ACBQRGIIRYMIDP-GHMZBOCLSA-N 303.322 -0.852 30 20 DBED CNC(=O)NCC(=O)NC[C@H]1C[C@@H](N=c2cc[nH]cc2C#N)C1 1091410938 KHRACOKAUKQSJF-KLPPZKSPSA-N 316.365 -0.389 30 20 DBED N#Cc1cnc(N[C@H]2C[C@H](CNC(=O)CCNC(N)=O)C2)cn1 1091457349 AWCJEIVWGUEFOW-MGCOHNPYSA-N 317.353 -0.287 30 20 DBED C[C@@H]1[C@@H](NC(=O)CNC(N)=O)CCN1c1ncc(C#N)cc1F 1091924772 LSBRIYJEGNTOOR-KCJUWKMLSA-N 320.328 -0.156 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2CN([C@H](C)C(N)=O)C[C@H]2C)nn1 1093033050 XMULEYCKRXXUNJ-IJLUTSLNSA-N 320.397 -0.364 30 20 DBED C[C@H](CC(N)=O)C(=O)N1CCN(c2ccnc(C#N)n2)CC1 1093194658 WQHSWMRHSPAJQL-SNVBAGLBSA-N 302.338 -0.492 30 20 DBED C[C@H](CN1CCOCC1)C(=O)NCCN=c1cc[nH]cc1C#N 1093643705 USABQFIMZPAYBA-CYBMUJFWSA-N 317.393 -0.128 30 20 DBED Cc1cc(=NCCNC(=O)CCc2cn(C)nn2)c(C#N)c[nH]1 1093713211 AVXXIFWBOLCEBN-UHFFFAOYSA-N 313.365 -0.027 30 20 DBED Cc1ncsc1C(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1 1094710128 QGQWAVXFDDBDPI-JTQLQIEISA-N 319.390 -0.010 30 20 DBED CN1CC(=O)N(CC(=O)N2C[C@H]3C[C@@H](NCC#N)C[C@H]2C3)C1=O 1095052709 YCKUHGIYLXAUIK-QJPTWQEYSA-N 319.365 -0.627 30 20 DBED C[C@H](CNC(=O)[C@H]1CCN(C)C(=O)C1)N=c1cc[nH]c(C#N)n1 1098386009 SBIOHFCYRYWKDO-MNOVXSKESA-N 316.365 -0.445 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(Cc2cn(CC)nn2)C[C@H]1O 1099738097 IMCKAHSGUUXMLC-ZIAGYGMSSA-N 323.397 -0.448 30 20 DBED C=CCCCN1CC[C@H](NC(=O)CCS(C)(=O)=O)[C@@H](O)C1 1099894467 LHEXTJPMOFFMIQ-STQMWFEESA-N 318.439 -0.061 30 20 DBED CC1(C(=O)N[C@H]2CCN(CC(=O)NCC#N)C[C@@H]2O)CC=CC1 1099979445 UVMAMSRMLWFZCL-STQMWFEESA-N 320.393 -0.466 30 20 DBED CN(CCNC(=O)[C@@H]1COCCN1C)c1ccncc1C#N 1100028425 SXMLHKVBTRGVLU-AWEZNQCLSA-N 303.366 -0.164 30 20 DBED C=C(C)CN1CC[C@@H](NC(=O)C(C)(C)NC(=O)NC)[C@@H](O)C1 1100126790 MRKVYAGYZNNGDR-NEPJUHHUSA-N 312.414 -0.179 30 20 DBED CN(CCNC(=O)COc1cnn(C)c1)c1nccnc1C#N 1100300436 CRXMBOHQLCLSDL-UHFFFAOYSA-N 315.337 -0.287 30 20 DBED C#CCOCCC(=O)NCC1CC(NCCS(C)(=O)=O)C1 1100325082 RNKRDKVVXDAHQG-UHFFFAOYSA-N 316.423 -0.445 30 20 DBED CN(CCNC(=O)[C@@H]1CCC(=O)NC1)c1cncc(C#N)n1 1100403970 GMRPYOSQVJDDBV-SNVBAGLBSA-N 302.338 -0.573 30 20 DBED CCN(CCNC(=O)CCNC(=O)NC)c1nccnc1C#N 1100512234 PDWCFBSJKSXJNC-UHFFFAOYSA-N 319.369 -0.390 30 20 DBED C=CCNC(=O)CNC1CC(CNC(=O)c2csnn2)C1 1100541395 IPXKJHIALYQBNV-UHFFFAOYSA-N 309.395 -0.062 30 20 DBED CN(CCN=c1cc[nH]cc1C#N)C(=O)c1ccc(=O)n(C)n1 1101613038 BCHAEGIEGSAPNJ-UHFFFAOYSA-N 312.333 -0.347 30 20 DBED CN(CCNc1nccnc1C#N)C(=O)C[C@H]1CCC(=O)N1 1101678514 WWDWHRPVKZCYRN-SNVBAGLBSA-N 302.338 -0.113 30 20 DBED C[C@@H]1CN(CC#N)C[C@H]1CNC(=O)[C@@H](C)N1C(=O)CCC1=O 1102020891 BZEAPRLRQGTSRH-IJLUTSLNSA-N 306.366 -0.268 30 20 DBED CN(CCN=c1cc[nH]cc1C#N)C(=O)c1nnc(O)nc1O 1102050375 LISGBZUTUSDSRM-UHFFFAOYSA-N 315.293 -0.845 30 20 DBED CN(C(=O)CCNC(N)=O)[C@@H]1CCN(c2nccnc2C#N)C1 1102709622 ISFHYBKKXFNAET-SNVBAGLBSA-N 317.353 -0.556 30 20 DBED CC[C@H](CNC(=O)[C@H]1CN(C)CCO1)N=c1cc[nH]c(C#N)n1 1103032031 AQONEEZEIOHYBM-VXGBXAGGSA-N 318.381 -0.593 30 20 DBED C[C@@H](CNC(=O)CN1CCOCC1)CNc1cnc(C#N)cn1 1103914704 NKGQSYSAKIOOSL-GFCCVEGCSA-N 318.381 -0.155 30 20 DBED CNC(=O)NCC(=O)NC[C@@H](Nc1cncc(C#N)n1)C(C)C 1105299005 YHLMSQHBCIFGMQ-LLVKDONJSA-N 319.369 -0.170 30 20 DBED CN(CCN(C)c1ccc(C#N)nn1)C(=O)[C@@H]1COC(=O)N1 1105393210 MZPPDJOMLIXBPU-JTQLQIEISA-N 304.310 -0.649 30 20 DBED CN(CCN(C)c1cnc(C#N)cn1)C(=O)CCn1cnnn1 1105446235 MOLZZWLGVZQUAA-UHFFFAOYSA-N 315.341 -0.680 30 20 DBED Cn1cc(C(=O)NC[C@@H](O)CNc2ccc(C#N)cn2)nn1 1105815788 MXSSFIDZDRGUPH-JTQLQIEISA-N 301.310 -0.715 30 20 DBED Cc1nonc1C(=O)NC[C@@H](O)CNc1ccc(C#N)cn1 1105885099 WYVLAAPFNUYISM-JTQLQIEISA-N 302.294 -0.153 30 20 DBED CCS(=O)(=O)NCC(=O)N1C[C@@H](C)[C@H](CNCC#N)C1 1106204127 GIZQELJLTYBMAR-GHMZBOCLSA-N 302.400 -0.867 30 20 DBED C#CCNC[C@@H]1CN(C(=O)C2CC3(C2)NC(=O)NC3=O)C[C@H]1C 1106752803 MJPBNNAGMHFWCL-QZCIIZHISA-N 318.377 -0.708 30 20 DBED C=CCCN1CC(n2cc(CNC(=O)CNC(=O)NC)nn2)C1 1107177859 ABDIOBAJZABXSD-UHFFFAOYSA-N 321.385 -0.744 30 20 DBED N#Cc1cncc(NC/C=C/CNC(=O)CCn2cnnn2)n1 1107299556 CHFUTWCFMMFPEP-OWOJBTEDSA-N 313.325 -0.491 30 20 DBED COCC#CCN1CCO[C@](C)(CNC(=O)Cc2cc[nH]n2)C1 1107836073 PMHCAIUIFPFHTO-MRXNPFEDSA-N 320.393 -0.191 30 20 DBED CC(C)C#CC(=O)NC[C@]1(C)CN(Cc2nnn(C)n2)CCO1 1107926532 JHQKOXKHVZXKCQ-OAHLLOKOSA-N 320.397 -0.423 30 20 DBED C[C@H]1CC(=O)N[C@@H](C(=O)NC[C@]2(C)CN(CC#N)CCO2)C1 1107951173 IRTJYXPQSNOMPD-LALPHHSUSA-N 308.382 -0.368 30 20 DBED C[C@]1(CNC(=O)CCCn2ccnn2)CN(CC#N)CCO1 1107989122 PAROHKAYENPZNK-AWEZNQCLSA-N 306.370 -0.211 30 20 DBED COCCn1ccc(C(=O)NC[C@@]2(C)CN(CC#N)CCO2)n1 1108064395 HTRYAJJGZWSWFL-HNNXBMFYSA-N 321.381 -0.126 30 20 DBED C[C@@H](CNc1ccc(C#N)nn1)NC(=O)C[C@H]1CCC(=O)N1 1108448714 YKOAESLZVGLSIB-VHSXEESVSA-N 302.338 -0.066 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC(N2C[C@@H](NC(C)=O)CC2=O)C1 1108495073 PZXLRMUUALLGEP-PWSUYJOCSA-N 308.382 -0.902 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)[C@H](CC)OCC)CC2=O)C1 1108513465 KRFMWLAABTXPIN-OCCSQVGLSA-N 307.394 -0.164 30 20 DBED C[C@H](CN(C)c1nccnc1C#N)NC(=O)CCn1cncn1 1108825959 PRHGEGZWKHYZFN-LLVKDONJSA-N 314.353 -0.029 30 20 DBED C[C@H](CN(C)c1nccnc1C#N)NC(=O)CS(C)(=O)=O 1108837514 WCUNGEHFNFPUSJ-SECBINFHSA-N 311.367 -0.666 30 20 DBED C[C@H](CN(C)c1cnc(C#N)cn1)NC(=O)[C@H]1CCNC1=O 1109206517 WWWBCALZUBMSJU-KOLCDFICSA-N 302.338 -0.575 30 20 DBED CC(=O)NCC(=O)N[C@H]1[C@H]2C[C@H]1N(c1ccc(C#N)nn1)C2 1109671213 WXCUZIFYTSXXPN-PXWWUCIGSA-N 300.322 -0.822 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@]1(C)CCOC1 1109882584 HLTGTAHRPDOGTP-FHIRATQRSA-N 319.405 -0.116 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1COCCN1c1ccc(C#N)nn1 1111663351 UIJSQCRNDOIMNI-ZYHUDNBSSA-N 300.322 -0.171 30 20 DBED N#Cc1cnccc1N1CCOC[C@H]1CNC(=O)CC(N)=O 1111679736 SJNJZPRZQWNJQA-LLVKDONJSA-N 303.322 -0.850 30 20 DBED COCC#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)NC(N)=O)C1 1111723844 XVSBSGXNGQTKRT-XEZPLFJOSA-N 322.409 -0.336 30 20 DBED CN(CC(=O)N[C@]12CCC[C@H]1CN(CC#N)C2)S(C)(=O)=O 1111768077 OKJMYRGNXRAYQZ-AAEUAGOBSA-N 314.411 -0.628 30 20 DBED N#Cc1ccc(NC[C@H]2CN(C(=O)CNC(N)=O)CCO2)cn1 1111930815 JKBZQOUWEZOTJZ-LBPRGKRZSA-N 318.337 -0.739 30 20 DBED C#CCNC(=O)CC(=O)N1CCN(CC[C@@H]2CCCO2)CC1 1112777997 WJFKDABIMKZYLT-AWEZNQCLSA-N 307.394 -0.161 30 20 DBED C#CCC1(C(=O)N2CCN(Cc3nc(=O)n(C)[nH]3)CC2)CCC1 1112953113 FQUCEODSJKUUGZ-UHFFFAOYSA-N 317.393 -0.054 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)[C@@H]2[C@H]3COC[C@H]32)CC1 1113226141 NBZSGPHBLUVXQD-IGQOVBAYSA-N 305.378 -0.839 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)c3cc(C)no3)[C@H]2C1 1113852661 OSQLMWGPOUMOMI-CIQGVGRVSA-N 316.361 -0.219 30 20 DBED Cn1nnc(CN2C[C@H]3C(NC(=O)CSCC#N)[C@@H]3C2)n1 1113891317 POCMEMYSPMSKAJ-RKDXNWHRSA-N 307.383 -0.987 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)COC(C)C)[C@H]2C1 1113992771 NJAMOKOMVCLECT-RMRHIDDWSA-N 307.394 -0.404 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)c3n[nH]c(C)c3O)[C@H]2C1 1114140791 LPLWQAOJZPVTKJ-UWVGGRQHSA-N 319.365 -0.614 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)[C@H]3OCC[C@H]3CC)[C@@H]2C1 1114425820 GQOPZSXFDAWHMD-JXFSHQFZSA-N 319.405 -0.403 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)c3csnn3)[C@H]2C1 1114639618 ZKRGXEMZLXFLLO-GUBZILKMSA-N 321.406 -0.111 30 20 DBED C[C@@H](CCCN=c1cc[nH]c(C#N)n1)NC(=O)Cc1nc[nH]n1 1114991109 UZNHWBKDMKEWAF-JTQLQIEISA-N 314.353 -0.172 30 20 DBED C[C@@H](CN(C)C(=O)CCn1cnnn1)N=c1cc[nH]c(C#N)n1 1115808685 LQBMEIDSAMVECL-JTQLQIEISA-N 315.341 -0.894 30 20 DBED C#CCNC(=O)C1CCN(C(=O)C(=O)NCCC2CC2)CC1 1117421598 HAQPGPSSJDIHHN-UHFFFAOYSA-N 305.378 -0.109 30 20 DBED C[C@@H](NC(=O)C(=O)N1CCN(CCC#N)CC1)[C@H]1CCOC1 1119139656 VKFVCTSPPBMTNI-OLZOCXBDSA-N 308.382 -0.415 30 20 DBED C[C@@H](C#N)C(=O)NC1CC2(C1)CC(N[C@@H](C)C(=O)NC(N)=O)C2 1120859243 PQZZIARXTUOECQ-MJWUMDRYSA-N 321.381 -0.254 30 20 DBED N#Cc1cccnc1N[C@H](CO)CNC(=O)[C@@H]1COCCO1 1121137094 TXHSRZPRUKYXRY-RYUDHWBXSA-N 306.322 -0.742 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H](CO)CNC(=O)[C@@H]1CCCOC1 1121197626 KFJSHGKMHHNRJT-DGCLKSJQSA-N 304.350 -0.309 30 20 DBED N#Cc1nc(=N[C@H](CO)CNC(=O)[C@@H]2CCCOC2)cc[nH]1 1121198024 NPTSLBJODPXQOZ-MNOVXSKESA-N 305.338 -0.914 30 20 DBED N#Cc1cncc(N[C@@H](CO)CNC(=O)Cc2ncc[nH]2)n1 1121976530 ALQDZWHRLWTOEL-SNVBAGLBSA-N 301.310 -0.797 30 20 DBED CN1C[C@@H](C(=O)NC[C@@H](CO)Nc2ccc(C#N)cn2)CC1=O 1122716584 ASTAXXNKBYNTQB-RYUDHWBXSA-N 317.349 -0.679 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)[C@@H]2CCC(=O)NC2)nc1 1122830363 TZZGBFNRJJPXIP-VXGBXAGGSA-N 317.349 -0.632 30 20 DBED CN(C[C@H](O)CN(C)c1ncccc1C#N)C(=O)c1cnn[nH]1 1125368416 BMVQXSZSTZQREW-LLVKDONJSA-N 315.337 -0.359 30 20 DBED CC(C)[C@H](C(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1)N(C)C 1129252921 NAYTXEQMKXBPCL-HZSPNIEDSA-N 319.413 -0.271 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCNCc1nnc(CC)n1C 1129775122 JATPMXRWTZGWKG-ZDUSSCGKSA-N 318.425 -0.319 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1ccc2oc(O)nc2c1 1129944220 KHLYGAAQOBOUCD-UHFFFAOYSA-N 317.305 -0.507 30 20 DBED N#Cc1ccc(CNCCNC(=O)c2nnc(O)nc2O)cc1 1130862810 GHNBNSRCQWLRRY-UHFFFAOYSA-N 314.305 -0.326 30 20 DBED C=C(C)C[C@H](C)C(=O)N1CCC(=O)NCCN(CC(N)=O)CC1 1131376643 DEMZECZVEGRUAE-ZDUSSCGKSA-N 324.425 -0.276 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)[C@@]1(COC)CCOC1 1131905161 GMMWHPLVAJFWGV-SWLSCSKDSA-N 313.398 -0.564 30 20 DBED CN1C[C@@H](C(=O)NCCNCc2cc(C#N)ccc2F)NC1=O 1132386986 NNLYGVYOWMMOHH-ZDUSSCGKSA-N 319.340 -0.073 30 20 DBED N#CCNC(=O)CNCCNC(=O)[C@H]1Cc2ccc(F)cc21 1132915660 CVLSGRJKEZPOPU-ZDUSSCGKSA-N 304.325 -0.189 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)c1cnccn1)NCC(=O)NCC#N 1133600182 RLROKUGHPFXGJH-WDEREUQCSA-N 304.354 -0.397 30 20 DBED C[C@H](C[C@@H](C)NC(=O)c1ccc(O)nc1)NCC(=O)NCC#N 1136075081 ROCYQDQDBWEYPA-GHMZBOCLSA-N 319.365 -0.087 30 20 DBED N#CCN1CCC2(C1)CN(C(=O)CCCS(N)(=O)=O)C2 1148180785 AGIXZJQGMDRXGE-UHFFFAOYSA-N 300.384 -0.887 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CN(CCN2CCCC2=O)CCCO1 1149415956 PXURGMOOMZTJHG-UONOGXRCSA-N 322.409 -0.024 30 20 DBED C#CCC1(C(=O)NCCNCC(=O)NC(N)=O)CCCCC1 1153009678 PKIZCENPYOKDPE-UHFFFAOYSA-N 308.382 -0.139 30 20 DBED C=CCNC(=O)CNCC1(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1164490565 MNSFJDIDMJKONV-VXGBXAGGSA-N 324.381 -0.170 30 20 DBED N#CCN1CCO[C@H]2CCN(C(=O)CCCn3ccnn3)C[C@@H]21 1177035233 JBJDJYVEWHCDGG-KBPBESRZSA-N 318.381 -0.116 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](NCC(=O)NCC(C)C)C1 1182522955 RYSOXIOBKCUDFJ-CQSZACIVSA-N 309.410 -0.011 30 20 DBED CCO[C@@H](C(=O)N1CC[C@@H](NCC(=O)NCC#N)C1)C1CC1 1182631630 SLBUUFCUALOFRV-TZMCWYRMSA-N 308.382 -0.368 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)C[C@H]2CCN(C)C2=O)C1 1183516399 IAFYYLYCWLACDW-CHWSQXEVSA-N 322.409 -0.653 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)[C@H]2CCN(C)C(=O)C2)C1 1183682722 DFRZWWXHAFWOQR-UONOGXRCSA-N 307.394 -0.305 30 20 DBED C#CCNC[C@@H]1CCN(C(=O)CN(C)C(=O)COC)C[C@@H]1C 1184535419 TYWDKSJGJXJODV-KBPBESRZSA-N 309.410 -0.201 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2c[nH]nc2C)C1 1184747350 YBDBHKHQRAVEBA-NWDGAFQWSA-N 303.366 -0.340 30 20 DBED C=CCNC[C@@H]1CCN(C(=O)Cn2c(O)nnc2O)C[C@@H]1C 1185575917 XTHABKQSNMRQGR-QWRGUYRKSA-N 309.370 -0.051 30 20 DBED C=CCNC(=O)NC(=O)CN(C)[C@@H]1CCN(C(=O)C2CC2)C1 1188555187 MRVQMHIHXPNLEH-GFCCVEGCSA-N 308.382 -0.059 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@H](N(C)Cc2cnnn2C)C1 1190093929 FCLZYGYJYKAZOF-OLZOCXBDSA-N 305.382 -0.114 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)[C@]2(F)CCOC2)C1 1191947308 ICAMQXYGXLDTKM-WFASDCNBSA-N 313.373 -0.050 30 20 DBED C#CCCCCC(=O)N[C@@H]1CN(CC(=O)N(C)C2CC2)C[C@H]1O 1192290784 UFSQLUBYLSHIOV-HUUCEWRRSA-N 321.421 -0.038 30 20 DBED CC#CCN(C)[C@H]1CCN(C(=O)C(C)(C)NS(C)(=O)=O)C1 1192749886 RGXPJNWOVAMTRI-LBPRGKRZSA-N 315.439 -0.130 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)CC(C)(C)C=C)C1 1193345732 VMSYHXGEDMAVDF-BFHYXJOUSA-N 321.421 -0.112 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(CCOC(C)C)C[C@H]1O 1193849685 NWCYXZHGCSNPBG-OWCLPIDISA-N 323.437 -0.330 30 20 DBED C[C@@H](CC(F)F)C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1O 1194788688 JALJAOSLSHANRQ-IVZWLZJFSA-N 318.324 -0.921 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)c2cnns2)CC1 1194971028 POJFUBIYBHXNHJ-UHFFFAOYSA-N 309.395 -0.012 30 20 DBED C=C[C@](C)(CCOC)C(=O)N[C@@H]1CN(CC(=O)NC)C[C@H]1O 1194996368 AXGCVWXDWDLEHG-LALPHHSUSA-N 313.398 -0.878 30 20 DBED C=CCNC(=O)[C@H](C)N1CCCN(C(=O)Cn2cncn2)CC1 1198046245 FXXPWVPGCGEYFU-ZDUSSCGKSA-N 320.397 -0.497 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)c2cnccn2)CCCO1 1199724751 JVKPVQDRQPTQKB-CQSZACIVSA-N 318.377 -0.053 30 20 DBED C#CCNC(=O)CNC[C@H]1CN(C(=O)CSC)CCCO1 1199761043 FIYSHHQQOFUDOM-LBPRGKRZSA-N 313.423 -0.694 30 20 DBED CC#CCNC[C@H]1CN(C(=O)c2c[nH]c(C(N)=O)c2)CCCO1 1202078909 JMESKGCJANXYFY-ZDUSSCGKSA-N 318.377 -0.042 30 20 DBED C#CCCNC[C@H]1CN(C(=O)CCc2cn(C)nn2)CCCO1 1202236964 VULJADHRGTYMMK-HNNXBMFYSA-N 319.409 -0.022 30 20 DBED N#CCNC(=O)CNC1CCN(C(=O)CC2=CCOCC2)CC1 1202353501 NLRAVDHJQHXHAP-UHFFFAOYSA-N 320.393 -0.056 30 20 DBED C#CCCNC1CCN(C(=O)[C@@H](CCC(N)=O)NC(C)=O)CC1 1202962230 XGWVRBVLLVWELR-CQSZACIVSA-N 322.409 -0.640 30 20 DBED CC#CCNC1CCN(C(=O)CN2CC(=O)N(C)C2=O)CC1 1203318729 MQMHUGOATCSZHV-UHFFFAOYSA-N 306.366 -0.516 30 20 DBED C#CCCNC1CCN(C(=O)CN2C(=O)NC(C)(C)C2=O)CC1 1203574368 UPFMOFKSBSSWFW-UHFFFAOYSA-N 320.393 -0.079 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)[C@@H]2C[C@H](C)CO2)CC1 1205722289 OQQRWNGJMDPJOC-ZFWWWQNUSA-N 321.421 -0.011 30 20 DBED COCC#CCN[C@@H]1CCCN(C(=O)[C@H]2CN(C)CCO2)C1 1207733904 AQCDIYLTUJCPQF-HUUCEWRRSA-N 309.410 -0.453 30 20 DBED COCC#CCN[C@@H]1CCCN(C(=O)[C@@H](C)S(C)(=O)=O)C1 1208426912 OWWYSVXQPPEFAM-CHWSQXEVSA-N 316.423 -0.350 30 20 DBED COCC(=O)N[C@H](C(=O)N[C@@H]1CN(CC#N)C[C@H]1C)C(C)C 1209246791 KLQDCSWCHFIQJV-BZPMIXESSA-N 310.398 -0.266 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@H]1C 1214899917 CALPOENZMZAJBW-GHMZBOCLSA-N 310.398 -0.763 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)CCCCC)C1 1219196399 ZGWAKPORQIWIOS-MJBXVCDLSA-N 309.410 -0.134 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(Cc2ccc(OC)nn2)C[C@@H]1O 1219362186 UDMISZGQLIOFIH-OLZOCXBDSA-N 322.365 -0.651 30 20 DBED C=CCC(CC=C)C(=O)N[C@@H]1CN(CC(=O)NC(N)=O)C[C@@H]1O 1219689739 HFUHYVBYYGBPSV-NEPJUHHUSA-N 324.381 -0.889 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)CCc2ccccc2C(N)=O)C1 1220767197 RZCBLVCHKVQLJS-CABCVRRESA-N 315.373 -0.487 30 20 DBED COC[C@@H](C)C(=O)NCC1CCN(CC(=O)NCC#N)CC1 1222618791 DEFXCCJNKBTPAX-GFCCVEGCSA-N 310.398 -0.263 30 20 DBED COCC(=O)N(C)CC(=O)N1CC[C@H]2CCN(CC#N)[C@H]2C1 1222810710 RRTYIBIIZJIKPK-OLZOCXBDSA-N 308.382 -0.462 30 20 DBED C#CCNC(=O)CC(=O)NC1CCN(Cc2ncnn2C)CC1 1226962036 XSPIYRRSRIJDAW-UHFFFAOYSA-N 318.381 -0.965 30 20 DBED C#CCO[C@H](C)C(=O)NC1CCN([C@H]2CCCNC2=O)CC1 1227342193 KEUSDCMDBKLRKV-OCCSQVGLSA-N 307.394 -0.116 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)c2cncn2C)CC1 1228169330 UFLAOBKWDCEFBH-UHFFFAOYSA-N 305.382 -0.084 30 20 DBED C[C@@H](NC(=O)C(=O)Nc1cccc(C#N)n1)[C@H]1CN(C)CCO1 1261460313 ZBDRJTGRTFLVCC-ZYHUDNBSSA-N 317.349 -0.273 30 20 DBED C[C@]1(O)CCN(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1 1320687278 PXKZOFSWWCTRCI-NYHXXUGCSA-N 308.338 -0.321 30 20 DBED C#CCCCC(=O)N(C)CC(=O)N[C@H]1CCS(=O)(=O)C1 1324592345 BJXWOKIPUQWGRW-NSHDSACASA-N 300.380 -0.448 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 1326400926 KYTKOBHCEKTIPW-CZUORRHYSA-N 320.393 -0.536 30 20 DBED COCC[C@@H](CO)NC(=O)C(=O)Nc1cc(C)c(C#N)cn1 1327619732 UCDMTLTVWXYWLU-NSHDSACASA-N 306.322 -0.286 30 20 DBED C=CCN(CC=C)C(=O)C(=O)N[C@H]1CCN(S(C)(=O)=O)C1 1328984301 QBTGUFQZTWPYDG-NSHDSACASA-N 315.395 -0.663 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC[C@H]2CCOC2)C1=O 1329911940 LIFFJRRWKXHJNK-VXGBXAGGSA-N 309.366 -0.616 30 20 DBED N#CCn1cc(NC(=O)C(=O)N2[C@H]3CC[C@H]2CC(=O)NC3)cn1 1331518539 JBNLWAGJUFGTPR-QWRGUYRKSA-N 316.321 -0.775 30 20 DBED CN(CC#N)S(=O)(=O)CCCS(=O)(=O)NC1(C)CC1 1333042459 YTBXANSIEBFKDP-UHFFFAOYSA-N 309.413 -0.366 30 20 DBED C=CCOCCn1nnnc1N1CCN(c2cnn(C)c2)CC1 1335514065 LEPBDZSMVWYEOC-UHFFFAOYSA-N 318.385 -0.064 30 20 DBED C#C[C@@H](NC(=O)N1CCN(C(=O)C(=O)O)CC1)[C@@H]1CCCO1 1339714748 DENWTSXATPEKFT-MNOVXSKESA-N 309.322 -0.894 30 20 DBED CCN1CCN(CC(=O)[C@H](C#N)c2ccncn2)C(=O)C1=O 1342656859 JSGHHCFHXRSDKI-SNVBAGLBSA-N 301.306 -0.656 30 20 DBED CCNC(=O)N1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)C1 1345700220 SITIDDJULYAEQB-TUAOUCFPSA-N 321.381 -0.285 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N(C)CCCCCO)nn1 1345710203 FSAXYDHSCJAXBT-UHFFFAOYSA-N 309.370 -0.299 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[C@H](N)C2)CCN1C1CC1 1353047318 DKFRITLLLFOBTE-SGMGOOAPSA-N 319.409 -0.429 30 20 DBED CC[C@@H](C)NC(=O)CCNS(=O)(=O)N1CCO[C@H](C#N)C1 1364075671 RJZSMXVVFCYHBI-GHMZBOCLSA-N 318.399 -0.650 30 20 DBED COCC(=O)NCCC(=O)N1CCC[C@H](NC(=O)[C@H](C)C#N)C1 1385486586 BGFXNMOEKBTNHD-NEPJUHHUSA-N 324.381 -0.594 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@@H]1CCCN(C(=O)CN2CCOCC2)C1 1387320616 HGMTWKKRLBRYOB-ZIAGYGMSSA-N 322.409 -0.072 30 20 DBED C[C@@H](CN(C)C(=O)Cc1nc[nH]n1)NC(=O)c1ccc(C#N)[nH]1 1395678459 NFUHWWXYPAGDLM-VIFPVBQESA-N 315.337 -0.176 30 20 DBED Cc1noc(C)c1CC(=O)N(C)C[C@@H](O)CNC(=O)[C@@H](C)C#N 1413261576 VMOIITDTRKDGDJ-CABZTGNLSA-N 322.365 -0.071 30 20 DBED COC[C@H](OC)C(=O)N1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 1414495239 MJIHNCATROLHCR-ZDUSSCGKSA-N 320.349 -0.168 30 20 DBED C[C@H](C#N)C(=O)NC1CN(C(=O)c2cnn3c(=O)cc[nH]c23)C1 1416048351 WYYYPAAHRCFZCV-MRVPVSSYSA-N 314.305 -0.877 30 20 DBED Cn1nnc2c1C[C@H](C(=O)NCCn1cnc(C#N)n1)CC2 1417447011 XSYARRXTZVOIRG-SECBINFHSA-N 300.326 -0.800 30 20 DBED C=C(Cl)CNC[C@H](C)CNC(=O)Cn1nc(C)n(C)c1=O 1419530050 FBVLUMAGRPPRDV-VIFPVBQESA-N 315.805 -0.015 30 20 DBED C=C(Cl)CN1CC(O)(CNC(=O)CO[C@H]2CCOC2)C1 1421436234 PXWLRJCOYDSNFN-NSHDSACASA-N 304.774 -0.293 30 20 DBED COCC1(CC(=O)N(C)C[C@H](O)CNC(=O)[C@H](C)C#N)CC1 1425784175 JDPZGLDDXWGDCR-VXGBXAGGSA-N 311.382 -0.102 30 20 DBED CCN(CCNC(=O)[C@@H](C)C#N)C(=O)CCCS(C)(=O)=O 1429679457 FBLIWVPNJOFLRL-NSHDSACASA-N 317.411 -0.064 30 20 DBED C[C@@H](C#N)C(=O)NCC1CN(C(=O)c2cnc3[nH]nnc3c2)C1 1430431692 OQZVUVYYHULISZ-QMMMGPOBSA-N 313.321 -0.299 30 20 DBED N#Cc1cc(C(=O)NC[C@@H](O)CNC(=O)[C@H]2CCCOC2)c[nH]1 1431492397 KBHWHFQTSDDFNT-GWCFXTLKSA-N 320.349 -0.480 30 20 DBED CC(=O)N(C)CC(=O)NC[C@@H]1CCN1C(=O)c1c[nH]c(C#N)c1 1431995079 PHYDRSSMQOUERY-ZDUSSCGKSA-N 317.349 -0.305 30 20 DBED Cc1nc(C#N)c(N2CCN(C(=O)CSCC(N)=O)CC2)o1 1434451318 BEEFETNEMTYYEJ-UHFFFAOYSA-N 323.378 -0.278 30 20 DBED N#CCCN1CCN(C(=O)NCc2nc3ncccn3n2)CC1 1434817059 XEJWQDMCJMJIQT-UHFFFAOYSA-N 314.353 -0.135 30 20 DBED CC1=NS(=O)(=O)N(C)C=C1C(=O)N1CC[C@](O)(CC#N)C1 1452242644 GDCHIMUCULGKFJ-GFCCVEGCSA-N 312.351 -0.602 30 20 DBED CC(=O)N1CC(C(=O)N[C@H](C)CNC(=O)c2c[nH]c(C#N)c2)C1 1454595012 XCNHZVXXQOHIEB-SECBINFHSA-N 317.349 -0.401 30 20 DBED CCC(=O)NCC(=O)N1CCC2(C1)CN(C(=O)[C@@H](C)C#N)C2 1488843991 VROGZBGPKCECHA-NSHDSACASA-N 306.366 -0.267 30 20 DBED C#CCCCCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCN2C)C1 1489313290 LVTAMMXURPSBID-RBSFLKMASA-N 321.421 -0.038 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@H]1CCCN(Cc2nc(=O)n(C)[nH]2)C1 1494315811 LCTYLGIMKXPCCT-NHYWBVRUSA-N 323.397 -0.484 30 20 DBED C=C(Cl)CN1CC[C@H]1CNC(=O)CNC(=O)CNC(C)=O 1499006523 CPBUHCRJGNJLMQ-NSHDSACASA-N 316.789 -0.818 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC[C@@H]1CNCC(=O)NC(=O)NC 1499891815 MNPFVPKOELNPDW-NWDGAFQWSA-N 324.381 -0.939 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CCN(C(=O)CCn2cnnn2)C1 1527257510 MFZKXRKXSUZKCS-WDEREUQCSA-N 305.342 -0.812 30 20 DBED CCn1ncc(C(=O)NC[C@H](O)CNC(=O)[C@H](C)C#N)c1C 1533312280 DZJOANMMHZTSLM-MWLCHTKSSA-N 307.354 -0.422 30 20 DBED CCc1nc(C#N)cc(N2CCN3CCOC[C@]3(CO)C2)n1 1548525078 RZMKEQBSZZAMIK-OAHLLOKOSA-N 303.366 -0.206 30 20 DBED CC#CC[C@H](N)C(=O)N1CCN(c2ncccc2C(N)=O)CC1 1574962745 OFVHDOMKYJXEGG-ZDUSSCGKSA-N 315.377 -0.430 30 20 DBED C#C[C@@H](NC(=O)C(=O)N1C[C@@H](C)[C@H](CC(=O)O)C1)[C@@H]1CCCO1 1588370496 FJAZAEQBNPDOJZ-LPWJVIDDSA-N 322.361 -0.147 30 20 DBED C=C[C@H](CO)NS(=O)(=O)c1ccc(F)c(-c2nn[nH]n2)c1 1588730540 HXOIDFUGOUTHPJ-SSDOTTSWSA-N 313.314 -0.169 30 20 DBED N#Cc1nc(NC(=O)[C@H]2CCc3nc[nH]c3C2)[nH]c1-c1nn[nH]n1 1592683644 VMXRORCQMVVWDO-LURJTMIESA-N 324.308 -0.072 30 20 DBED COC(=O)[C@@H](CC(=O)O)NS(=O)(=O)c1ccsc1C#N 1598695188 PVUCGPKQSULZNN-ZCFIWIBFSA-N 318.332 -0.086 30 20 DBED N#CCNC(=O)CNC[C@H](O)COc1ccc(C(=O)O)cc1 1601074951 XUNFLBNFZJVVBY-NSHDSACASA-N 307.306 -0.646 30 20 DBED CCN(CCC#N)S(=O)(=O)NCC1(C(N)=O)CCOCC1 1647177389 GMAXBROYQZOJAY-UHFFFAOYSA-N 318.399 -0.662 30 20 DBED C#CCCN[C@H]1CCN(C(=O)[C@@H](C)NS(=O)(=O)CC)C1 1713923624 CHGJIJRKTIVBDZ-NEPJUHHUSA-N 301.412 -0.472 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@H](NCC(=O)N2CCOCC2)C1 1731646229 ZNXWYRCQLCGZNA-KGLIPLIRSA-N 323.393 -0.926 30 20 DBED CC#CCCCC(=O)N[C@H]1C[C@H](NCCN2C(=O)CNC2=O)C1 1752655208 NVBPVVHZKCABGS-JOCQHMNTSA-N 320.393 -0.031 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)[C@H](C)CC(N)=O)[C@H]2C1 1752845112 QEQQOHASUBRSFG-SSKLVLDBSA-N 322.409 -0.765 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@H](CNC(=O)c2nc(C)c[nH]2)C1 1753135350 KIBYNAAPHVBDOQ-CHWSQXEVSA-N 317.393 -0.092 30 20 DBED C=CCN1CC[C@@H](NCCN(C)C(=O)[C@@]2(F)CCOC2)C1=O 1753228554 DLYDRBPDMXDHIJ-IUODEOHRSA-N 313.373 -0.050 30 20 DBED COCC#CCN1C[C@@H]2C[C@H]1CN2C(=O)CCc1cnn[nH]1 1753424824 IHFMOLPECYXVCP-KBPBESRZSA-N 303.366 -0.328 30 20 DBED C[C@@H](C(=O)N(C)[C@@H]1CCN(CC(=O)NCC#N)C1)n1cccn1 1753429390 GNZDVZZXQLDVNH-QWHCGFSZSA-N 318.381 -0.383 30 20 DBED C#CCNC(=O)CN(C)CCN(C)C(=O)[C@H]1CCCCN1C 1753857503 RLBWOYDGKQQQJF-CQSZACIVSA-N 308.426 -0.390 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H](O)CNCc1nnc(C)s1 1753911211 MQOCJROQHLTHRZ-GXSJLCMTSA-N 312.395 -0.548 30 20 DBED C#CCNC(=O)CNCC[C@@H](C)NC(=O)[C@@H](C)c1cnn(C)c1 1754029245 RCBUXRLYKKJTCJ-OLZOCXBDSA-N 319.409 -0.243 30 20 DBED C#CCNC(=O)CNCC[C@@H]1CCN(C(=O)C[C@@H]2CCOC2)C1 1754908769 QUHTZOVXNOWOLH-CABCVRRESA-N 321.421 -0.009 30 20 DBED C#CCCN1CCOC[C@H]1CNC(=O)CS(=O)(=O)CC 1754973498 CIQVZFLWXLFTEB-GFCCVEGCSA-N 302.396 -0.739 30 20 DBED C=CCNC(=O)CNC[C@@H]1CN(C(=O)c2ccc[nH]2)CCO1 1754996021 WDWKFLGRKSAPDB-GFCCVEGCSA-N 306.366 -0.253 30 20 DBED C#CCNC(=O)CN[C@H]1CN(C(=O)c2cnsn2)C[C@H]1C 1755104320 ZTPHEMSRNRHGGS-KOLCDFICSA-N 307.379 -0.662 30 20 DBED CC#CCN(C)CCOCCNC(=O)[C@@H](C)N1C(=O)CCC1=O 1755541074 VXWFFAIXZAXJBZ-CYBMUJFWSA-N 323.393 -0.388 30 20 DBED C#CCCN[C@@H](C)CN(C)C(=O)CCc1nnc(O)nc1O 1755593559 AJOGIAJSPKHVFU-JTQLQIEISA-N 307.354 -0.325 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2cnnc(O)c2)[C@@H]1C 1755656300 LPNZODJONHDYAK-PWSUYJOCSA-N 317.349 -0.876 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@H](O)CN(C)C(=O)c1ccccn1 1755771692 QLKBADXDFININJ-STQMWFEESA-N 318.377 -0.758 30 20 DBED CC(=O)NCC(=O)N[C@H](C)[C@@H](C)NC(=O)CSCC#N 1755947752 PRDCGNIOURJGOW-RKDXNWHRSA-N 300.384 -0.611 30 20 DBED CCNC(=O)CC(=O)N1C[C@H]2C(CNC(=O)C#CC3CC3)[C@@H]2C1 1756199443 WRRBJXYGSSYNGO-KBPBESRZSA-N 317.389 -0.253 30 20 DBED C#CCCCCC(=O)NC[C@H](CO)NC(=O)c1c[nH]c(=O)cn1 1756513486 ISYXLRWSYNWOGG-LLVKDONJSA-N 320.349 -0.830 30 20 DBED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc[n+]([O-])cc3)C2)C1 1779886739 YMOZJRHBQQFALA-INIZCTEOSA-N 315.329 -0.603 30 20 DBED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCCNC 1795597107 JDGLWRRKHIHVKH-XOIINTDNSA-N 321.421 -0.011 30 20 DBED O=C(O)C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ncon1 1799035509 YKBBLUWSJAAHBL-ILWJIGKKSA-N 318.289 -0.591 30 20 DBED C#CCCCC(=O)N1CC2(CCCN2C(=O)CNC(=N)N)C1 1842884743 OOFOZDYZPGILED-UHFFFAOYSA-N 305.382 -0.524 30 20 DBED C#CCNS(=O)(=O)c1cccc(C(=O)NCC(=O)OC)c1 30695297 WSQKVFPHAJRNPF-UHFFFAOYSA-N 310.331 -0.499 30 20 DBED C#CCNS(=O)(=O)c1cccc(C(=O)NCCCC(N)=O)c1 43110728 ZOGBAQRCOOLOSR-UHFFFAOYSA-N 323.374 -0.407 30 20 DBED C#CCNS(=O)(=O)c1cccc(C(=O)NCCN(C)C)c1 53366194 TYQPSBOUPKXRGV-UHFFFAOYSA-N 309.391 -0.111 30 20 DBED CCN(C[C@H](C)C#N)C(=O)CN1CCN(C(=O)[C@H](C)O)CC1 152920073 LYCZPNVDMIUMMT-OLZOCXBDSA-N 310.398 -0.480 30 20 DBED CN(CCCc1n[nH]c(N)c1C#N)CC(=O)NC(=O)NC1CC1 153293622 OWVPBUGGPINPFW-UHFFFAOYSA-N 319.369 -0.284 30 20 DBED C/N=C(/NCCNS(C)(=O)=O)N[C@@H]1CN(C2CC2)C[C@H]1C 261663714 BDVYNYQQGYHPNY-ZYHUDNBSSA-N 317.459 -0.817 30 20 DBED C=CCC[C@@H](NC(=O)CCN1CCCS1(=O)=O)C(=O)O 262781635 BBRSNEBQGZDNCO-SNVBAGLBSA-N 304.368 -0.052 30 20 DBED C=CC[C@@H](CO)NC(=O)CNS(=O)(=O)CCOC(C)C 273462277 CYVYCFONAHZWGB-NSHDSACASA-N 308.400 -0.616 30 20 DBED N#Cc1ncccc1S(=O)(=O)NC[C@@H]1CC[C@H](C(N)=O)O1 277127593 IYGZRTGTWYPDGL-WCBMZHEXSA-N 310.335 -0.736 30 20 DBED C=CCNC(=O)CN1CCN(c2ccc(C(N)=O)cn2)CC1 284181982 VBLJWOFPULGBBO-UHFFFAOYSA-N 303.366 -0.395 30 20 DBED N#Cc1cncc(S(=O)(=O)NCC(=O)NCC(F)F)c1 290187912 ROGOISADKDBLDB-UHFFFAOYSA-N 304.278 -0.387 30 20 DBED C#CCNC(=O)CCN1CCN(CCC(=O)NCC#C)[C@H](C)C1 292677415 BNIYMWDQISWQKG-OAHLLOKOSA-N 318.421 -0.729 30 20 DBED C[C@@H]1CN(/C(O)=N/CCn2cncn2)C[C@@H]1N1CCOCC1 329907520 TUHSWKMHXORTSZ-OLZOCXBDSA-N 308.386 -0.155 30 20 DBED CCN1CCN(C/C(O)=N/C[C@]2(O)CCSC2)C(=O)C1=O 329991940 KCLNQIWVSIMPKW-CYBMUJFWSA-N 315.395 -0.498 30 20 DBED CCN(CC)[C@H](C)C/N=C(/O)N1CC[C@H](S(N)(=O)=O)C1 331277674 GJUCRLOHUDKGFJ-MNOVXSKESA-N 306.432 -0.007 30 20 DBED CCN(CCC#N)S(=O)(=O)N[C@H](CC(=O)OC)C(=O)OC 336914842 LYZLBTLWRRFHJK-SECBINFHSA-N 321.355 -0.839 30 20 DBED CNC(=O)[C@H]1CCCCN1S(=O)(=O)N1CCO[C@@H](C#N)C1 336936806 GJTBOXBRBKVPCQ-WDEREUQCSA-N 316.383 -0.944 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCCS(=O)(=O)CC1 337093159 NFLUGVLJWNBSEI-NSHDSACASA-N 323.440 -0.167 30 20 DBED Cn1cc(C#N)c(=O)n(Cc2nc(CC(F)(F)F)no2)c1=O 342709025 HVRDWICKLZNQGK-UHFFFAOYSA-N 315.211 -0.045 30 20 DBED COC(=O)[C@@H]1CN(C(=O)Cn2cnc(C#N)n2)C[C@H]1C1CC1 342981927 DCZNUPLVBKMRAF-WDEREUQCSA-N 303.322 -0.193 30 20 DBED CN(CC1CC1)C[C@H]1CCN(C(=O)NCC(=O)NCC#N)C1 358319148 YHPUVCQCHMLQCM-CYBMUJFWSA-N 307.398 -0.001 30 20 DBED C=C[C@H](CO)NC(=O)[C@H](CCSC)NS(=O)(=O)CC 426849977 WWBYTQQPOSNUKG-ZJUUUORDSA-N 310.441 -0.290 30 20 DBED C=C[C@@H](CO)NC(=O)N[C@@H]1CC(=O)N(C)[C@H]1c1cnn(C)c1C 460675181 UDHXACWOGYSUAP-SUHUHFCYSA-N 321.381 -0.154 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)C(C)(C)C(=O)OCC)CC1 491070744 FAPKYURLGNZKSU-UHFFFAOYSA-N 323.393 -0.531 30 20 DBED C#CCN(C)CCCNC(=O)N[C@H](CC)C(=O)N1CCOCC1 491766141 GMKDHGXUGQIUQQ-CQSZACIVSA-N 324.425 -0.122 30 20 DBED C[C@H](NC(=O)N(C)CCCc1[nH]nc(N)c1C#N)C(=O)N(C)C 547330248 DYXUBKWCJXWMKK-VIFPVBQESA-N 321.385 -0.086 30 20 DBED N#Cc1cc(F)c(S(=O)(=O)N2C[C@@H](O)[C@@H](CO)C2)c(F)c1 563435252 HFWBSAWFLRLYQJ-LDYMZIIASA-N 318.301 -0.190 30 20 DBED CC[C@H](C#N)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 593394631 QSXZRDQPEDUPNP-GFCCVEGCSA-N 322.365 -0.934 30 20 DBED CCN1C[C@@H](CNC(=O)CNc2ccc(C#N)cn2)CC1=O 593825726 JOZAEIXYGZXKLZ-GFCCVEGCSA-N 301.350 0.350 30 20 DBED N#CCCn1ccc(NC(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)n1 610743477 STRIZVRBMCBJQP-VHSXEESVSA-N 306.326 -0.049 30 20 DBED CCN(C[C@H](C)C#N)C(=O)CN1C(=O)N[C@@]2(CCOC2)C1=O 611115387 HVILLVRPTLXNRY-QMTHXVAHSA-N 308.338 -0.295 30 20 DBED CC[C@@H](CC#N)NC(=O)N=c1nc(CS(C)(=O)=O)[nH]o1 613856060 LZMOGKMLQFJKMN-ZETCQYMHSA-N 301.328 -0.150 30 20 DBED C#CCCCS(=O)(=O)N1CCN(C(=O)CN(C)C)CC1 710308486 DLAJVLPBEWNQHU-UHFFFAOYSA-N 301.412 -0.565 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)c2cnn(C)c2)CC1 738312664 URHMEQOBMREJKP-UHFFFAOYSA-N 317.393 -0.389 30 20 DBED C#CCOCCNC(=O)N1CCN(Cc2cnn(C)c2)CC1 753384093 PUMXQVGNDSGKQY-UHFFFAOYSA-N 305.382 -0.103 30 20 DBED C=C[C@@H](C)NC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 757006937 RFMTVPUHUOCZKX-ZJUUUORDSA-N 313.379 -0.157 30 20 DBED C=CCN(CC(=O)O)C(=O)CNS(=O)(=O)CCOC(C)C 762052132 ZHJCDYIBPNEUNN-UHFFFAOYSA-N 322.383 -0.570 30 20 DBED C=C(Cl)CNC(=O)C(=O)Nc1cnc(OC)c(C(N)=O)c1 762460923 SKHNNYNGJDWRSW-UHFFFAOYSA-N 312.713 -0.004 30 20 DBED C#CCNC(=O)[C@@H](C)OC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C 770111839 FZTOWRBMQWLFMV-NXEZZACHSA-N 318.395 -0.369 30 20 DBED CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)OCC(=O)NCC#N 770116066 RTCOBUPSJZGLKC-VIFPVBQESA-N 305.356 -0.867 30 20 DBED CN(CC(=O)NS(=O)(=O)CC1(C#N)CCC1)C(=O)C1CC1 771073574 KFWFSBDHCQRYGT-UHFFFAOYSA-N 313.379 -0.005 30 20 DBED C#C[C@@H](NS(=O)(=O)N(C)CCC(=O)OC)[C@@H]1CCCO1 773052909 QVUKRQJGYPWRCD-MNOVXSKESA-N 304.368 -0.504 30 20 DBED C#C[C@H](NC(=O)NCCS(=O)(=O)NC(C)C)[C@@H]1CCCO1 773278217 XYDRRLQQLMTKND-RYUDHWBXSA-N 317.411 -0.206 30 20 DBED C=CCNC(=O)CNC(=O)NCC(=O)NCc1ccccc1 776959087 YUMVEPPMLCGLTJ-UHFFFAOYSA-N 304.350 -0.096 30 20 DBED C#CCOCCNC(=O)C(=O)Nc1ccc(-n2cnnn2)cc1 785161345 QXCHOPLSLJQJML-UHFFFAOYSA-N 314.305 -0.633 30 20 DBED N#CCCn1ccc(NC(=O)NC[C@H]2CC(C(N)=O)=NO2)n1 789838691 GJNPELCWPCECLJ-MRVPVSSYSA-N 305.298 -0.452 30 20 DBED C#CCC[C@@H](O)CNC(=O)c1cc(S(=O)(=O)N(C)C)c[nH]1 799077577 KZDSFMWKMVJUMC-SNVBAGLBSA-N 313.379 -0.231 30 20 DBED NS(=O)(=O)c1ccc(C=NN2C(=O)CNC2=O)cc1Cl 807980715 YBJBHZFVLSEWPR-UHFFFAOYSA-N 316.726 -0.127 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)c1c(Br)nnn1C 811453340 TZOUMABQZCGOEO-LURJTMIESA-N 315.127 -0.128 30 20 DBED N#CCN(C(=O)Cn1cnc(-c2nn[nH]n2)n1)C1CCCC1 822811085 SFUCZGKICNOUTF-UHFFFAOYSA-N 301.314 -0.247 30 20 DBED N#Cc1ccc(CNC(=O)Cn2nc3n(c2=O)CCCC3)nc1 844492837 PEBBJBJVOBMLLT-UHFFFAOYSA-N 312.333 -0.036 30 20 DBED COCCN(CCC#N)C(=O)CCN1C(=O)CCNC1=S 847437762 VBUMFDSCAZXUPQ-UHFFFAOYSA-N 312.395 -0.128 30 20 DBED C#CCN(CC(=O)O)S(=O)(=O)C[C@@H]1CCCS(=O)(=O)C1 849218436 BRXQSYAKBVFABY-SNVBAGLBSA-N 323.392 -0.839 30 20 DBED COC(=O)CN(CC#N)C(=O)[C@H]1CC[C@@H](C(F)(F)F)NC1=O 906748253 AYZOWZMVVDRWGO-YUMQZZPRSA-N 321.255 -0.031 30 20 DBED C=CCNC(=O)[C@H](C#N)C(=O)CN1C(=O)NC2(CCCC2)C1=O 916920814 NJJMZKKPOXZZSS-SNVBAGLBSA-N 318.333 -0.138 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)CC(N)=O)C1 936967381 XOLMYOKNBVFBFI-XQQFMLRXSA-N 323.393 -0.098 30 20 DBED CCn1cc(CC(=O)N[C@H]2CCN(C(=O)[C@@H](C)C#N)C2)nn1 938429351 DKUPBEYULXUCHL-QWRGUYRKSA-N 304.354 -0.283 30 20 DBED CS(=O)(=O)CC(=O)N1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 939930744 XCCKWNPLAAXFGP-SNVBAGLBSA-N 324.362 -0.738 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C2CN(Cc3ncccn3)C2)CC1 941348557 OKKPVMPNUPLOII-ZDUSSCGKSA-N 314.393 -0.035 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cnc(O)n(C)c2=O)[C@@H](C)C1 942553191 MOAQPFFQZAJWSG-JQWIXIFHSA-N 304.350 -0.441 30 20 DBED C#CCN1CC[C@@H](NC(=O)CN2CCC(=O)NC2=O)[C@@H](C)C1 944013699 BHNDFYCETRYSMM-NWDGAFQWSA-N 306.366 -0.612 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)C2=COCCO2)C1 944457828 SHLHQYUNLWOECT-QWRGUYRKSA-N 309.322 -0.622 30 20 DBED N#Cc1cc(C(=O)NC[C@@H]2CCC[C@H]2NC(=O)C(N)=O)c[nH]1 946293611 QDNUJZHGBOQPAS-GZMMTYOYSA-N 303.322 -0.614 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C[C@H]1C 947761566 MWEPSLMZMMJHJW-VXGBXAGGSA-N 318.377 -0.700 30 20 DBED CN1CCOC[C@@H]1C(=O)N1CCC2(CC1)CN(CC#N)CCO2 949343482 DAGAQRSZKXSWAG-CQSZACIVSA-N 322.409 -0.466 30 20 DBED N#Cc1cccc(CN2CCN(C(=O)[C@@H]3CNC(=O)N3)CC2)c1 949947821 KQHJFPFFDAPGHI-AWEZNQCLSA-N 313.361 -0.116 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)CC(N)=O)C1 950258846 XQTOPQSZOGRMFJ-UPJWGTAASA-N 323.393 -0.050 30 20 DBED O=C(NC[C@@H]1CCN1C(=O)C#CC1CC1)c1nc2ncccn2n1 951753458 QPYIUZGOLBPRKE-LBPRGKRZSA-N 324.344 -0.132 30 20 DBED CN(C(=O)[C@]1(C)CCC(=O)NC1)C1CN(C(=O)C#CC2CC2)C1 955059400 FCGICDCSYRKGTD-QGZVFWFLSA-N 317.389 -0.015 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2cnc(N(C)C)cn2)C1 958070083 VYVJNBQMIZMGKT-YPMHNXCESA-N 303.366 -0.802 30 20 DBED N#CCN1C[C@H](O)[C@H](CNC(=O)c2nc[nH]c2C(F)(F)F)C1 958139700 OCCWOTFREHADLE-SFYZADRCSA-N 317.271 -0.025 30 20 DBED C#Cc1ccc(C(=O)N[C@H](C)[C@H]2CCN(C(=O)C(N)=O)C2)nc1 959269041 RZDIMWBFMPKNNR-PWSUYJOCSA-N 314.345 -0.485 30 20 DBED N#Cc1cc(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@@H]3CC3(F)F)C2)c[nH]1 962751982 VYIWSCLKATWXSB-AXFHLTTASA-N 324.287 -0.157 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)c1ccc(O)nc1 964349112 RJEQLNLWFDNHQP-ZYHUDNBSSA-N 318.333 -0.096 30 20 DBED C=CC(C)(C)C(=O)N1CCN(C2CN(C(=O)C(N)=O)C2)CC1 967234420 CCAKOVQCRZNLGM-UHFFFAOYSA-N 308.382 -0.961 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)C(C)(C)c2cnc[nH]2)C1 969076393 VKRCZLWCHDBBID-AXFHLTTASA-N 319.365 -0.465 30 20 DBED Cc1nc(O)nc(O)c1CC(=O)N1C[C@H]2CC[C@H]1CN2CC#N 971949358 TYTOYOUOVVUPNL-MNOVXSKESA-N 317.349 -0.063 30 20 DBED C#CCN(C)[C@@H]1CCN(C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)C1 971962868 FCJUKQPAPZDVNU-MCIONIFRSA-N 307.394 -0.035 30 20 DBED Cn1cnc(C(=O)N2C[C@H]3CCN(C(=O)C#CC4CC4)C[C@H]32)n1 972028716 IZTGECXKFGPFOJ-CHWSQXEVSA-N 313.361 -0.099 30 20 DBED C#CCCN1CCO[C@]2(CCN(C(=O)[C@@H]3CN(C)CCO3)C2)C1 972316329 LOTJQUJQLKEWEL-DOTOQJQBSA-N 321.421 -0.356 30 20 DBED C[C@H]1CC(=O)N[C@@H](C(=O)N2CC[C@@]3(CN(CC#N)CCO3)C2)C1 972386865 HTHFZEWRXODMHT-XJKCOSOUSA-N 320.393 -0.272 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)CC3OCCCO3)[C@H]2C1 976407843 HFECLIMIGXFBHM-KZWBYHQPSA-N 307.350 -0.128 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2[C@@H]3CN(C(=O)c4nc[nH]n4)C[C@@H]32)cn1 976912891 VLBWVCNVMOXXSF-ITGUQSILSA-N 322.328 -0.319 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CC[C@H]3CN(C(=O)C(N)=O)C[C@H]32)c[nH]1 979938477 QSIOSYZRYJLJLU-XXILOJSOSA-N 315.333 -0.662 30 20 DBED C=C(C)CN[C@H]1CCC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 981098500 KLEYQYKPQQMAKS-RYUDHWBXSA-N 320.397 -0.030 30 20 DBED C#CCN1CCCN(C(=O)CCn2cc[nH]c(=O)c2=O)CC1 982227278 NRMVCIXLJMDZOD-UHFFFAOYSA-N 304.350 -0.906 30 20 DBED C#CCN1CCC(C(=O)NC[C@@H]2CCN(C(=O)COC)C2)CC1 982350065 BSFRTXJUCQHLAB-AWEZNQCLSA-N 321.421 -0.057 30 20 DBED NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]1CCN(C(=O)C#CC2CC2)C1 982739377 LHHIWPHCVDEHGD-UPJWGTAASA-N 303.362 -0.514 30 20 DBED CCO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1CNC(=O)c1nc[nH]n1 983253592 QISLAMKHRBURND-HBNTYKKESA-N 320.353 -0.442 30 20 DBED C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)CC(N)=O 987634437 PDGGVHJNNRTSFE-SCZZXKLOSA-N 303.322 -0.519 30 20 DBED CC(=O)N1CC(C(=O)N(C)C[C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)C1 988289629 XZZGBTPJMSSBDF-AAEUAGOBSA-N 320.393 -0.069 30 20 DBED C=C(C)CN1CCC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)[C@@H]1C 994484693 JBUJIUIWADHTGH-NWDGAFQWSA-N 320.397 -0.078 30 20 DBED CC(=O)N[C@H]1CC(=O)N(C2CN(C(=O)c3cc(C#N)c[nH]3)C2)C1 995458773 WZYBYKZVLBFPEC-NSHDSACASA-N 315.333 -0.552 30 20 DBED C#CCOc1ncccc1C(=O)N1CCC(NCC(N)=O)CC1 997183793 CHCBUKOQKVEJCW-UHFFFAOYSA-N 316.361 -0.227 30 20 DBED C#CCN1CC[C@@H](n2cc(CNC(=O)c3nonc3C)nn2)C1 1000044487 WBZCTLWXKOMEEE-GFCCVEGCSA-N 315.337 -0.220 30 20 DBED C#CCOc1ncccc1C(=O)NCC1CN(C(=O)COC)C1 1003465525 OWMPMQMKMPLTDQ-UHFFFAOYSA-N 317.345 -0.072 30 20 DBED C[C@@H](C#N)C(=O)N1CC([C@H](C)NC(=O)c2cnnc(O)c2)C1 1006257250 LWTTUMJSJKKTAD-IUCAKERBSA-N 303.322 -0.081 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2[C@@H]3CN(C(=O)COC)C[C@H]23)nn1 1009067573 VRKMUXYYKMSHKU-CNDDSTCGSA-N 319.365 -0.455 30 20 DBED C[C@H](C#N)C(=O)N1CCC2(C1)CN(C(=O)C1(C(N)=O)CC1)C2 1019353833 BYZIKXNODAOHST-SNVBAGLBSA-N 304.350 -0.528 30 20 DBED C[C@H]1[C@@H](NC(=O)[C@H]2CCN(C)C2=O)CCN1C(=O)C#CC1CC1 1020248172 JOVDPDQSBXOJON-YUTCNCBUSA-N 317.389 -0.016 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CCN(C(=O)CCc3nc[nH]n3)[C@@H]2C1 1021332914 XBTPUEFOZNPUMG-GRYCIOLGSA-N 316.365 -0.044 30 20 DBED N#CCN1[C@H]2CC[C@H]1CC(NC(=O)C[C@H]1CC(=O)NC1=O)C2 1021475675 CROVPUBCDOBAOK-DLOVCJGASA-N 304.350 -0.326 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]2CN(C(=O)c3c[nH]c(=O)cn3)C[C@H]21 1022566977 NVKZYIMYPPPWDB-JFGNBEQYSA-N 315.333 -0.398 30 20 DBED CSCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 1023429229 PCDMZPBUYDAPCQ-GHMZBOCLSA-N 308.363 -0.449 30 20 DBED Cc1ccnc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2O)n1 1023548078 CFDDHXMUMRTUPM-FBIMIBRVSA-N 303.322 -0.754 30 20 DBED C[C@H](C(=O)N1CCC[C@H](N(C)CC#N)C1)N1C(=O)CCC1=O 1027433128 SLSGFQOJTFTPCZ-NEPJUHHUSA-N 306.366 -0.030 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)Cn3cccn3)C2)C1=O 1030107660 RWFQMPUYCIBSFB-CYBMUJFWSA-N 303.366 -0.530 30 20 DBED C=CCn1cc(C(=O)N2C[C@@H]3C[C@H]2CN3CC(=O)N(C)C)nn1 1032671548 VPARGBFVDSSISI-RYUDHWBXSA-N 318.381 -0.549 30 20 DBED N#CCN1CCCC[C@@H](NC(=O)Cn2ccc(O)nc2=O)C1 1034292039 BFAJAICBDJOXLN-LLVKDONJSA-N 305.338 -0.557 30 20 DBED C=CCN1CC[C@H](NC[C@H]2CCCN2C(=O)c2cnn[nH]2)C1=O 1034980812 FXBQURRGCOIGBM-NEPJUHHUSA-N 318.381 -0.214 30 20 DBED C[C@H](C(N)=O)N1CCO[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1 1035331180 HJWRVBDOFSHDMS-MWLCHTKSSA-N 305.338 -0.809 30 20 DBED CC#CCN1CCO[C@H](CNC(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1 1035374023 WUWSRGGNOTZXPJ-MGPQQGTHSA-N 307.394 -0.259 30 20 DBED C#CCN[C@H]1CCN(C(=O)CN2CC(=O)N(C)C2=O)C[C@H]1C 1036260390 MLGCBVAUZLHSKJ-NEPJUHHUSA-N 306.366 -0.660 30 20 DBED Cn1nnc(CN2C[C@H]3C[C@H]2[C@H]3NC(=O)c2c[nH]c(C#N)c2)n1 1037370945 JMFBNMHXJOEFLB-CDMKHQONSA-N 312.337 -0.587 30 20 DBED C#CCN[C@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C[C@H]1CC 1037844751 LKQBOGCZRGWFRN-NEPJUHHUSA-N 318.381 -0.773 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@@H]2CCN2CCN2CCNC2=O)c1 1038140577 PSLFNWBIPATEJJ-LBPRGKRZSA-N 316.365 -0.284 30 20 DBED CC[C@H](C(=O)NC[C@]1(O)CCN(C(=O)C#CC2CC2)C1)N(C)C 1040197174 BBFMISSTZZPYFW-RHSMWYFYSA-N 321.421 -0.180 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)c2ccnc(O)c2)C1 1040759358 ADULTTUAYRCKGN-BONVTDFDSA-N 318.333 -0.360 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)c2cnn(C)c2N)C1 1042703211 IVUOGZOBNPEJBK-UHFFFAOYSA-N 321.381 -0.482 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)[C@H](C)S(C)(=O)=O)C1 1043781550 XMHNIWOIRVZNEW-JTQLQIEISA-N 318.395 -0.925 30 20 DBED CN1CC[C@H](C(=O)N[C@@H]2CN(c3ccc(C#N)nc3)C[C@@H]2O)C1 1043965522 FFJRNUSFZXEAAQ-GLQYFDAESA-N 315.377 -0.429 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)c2cocc2C)C1 1044886579 SVZSEUOMELAGGQ-UHFFFAOYSA-N 320.345 -0.069 30 20 DBED C[C@H](C(=O)NCC1(O)CN(C(=O)[C@H](C)C#N)C1)c1cncnc1 1045125687 AGSQBDMRLPHEKN-MNOVXSKESA-N 317.349 -0.571 30 20 DBED Cc1cc(C)n(CC(=O)N2CC(O)(CNC(=O)[C@@H](C)C#N)C2)n1 1045554888 LOZZNJFMLLZFEE-JTQLQIEISA-N 319.365 -0.651 30 20 DBED C#CCN1CC[C@@H](N2CCN(C(=O)Cc3ccnn3C)CC2)C1 1046022062 KTIPFZVHTWMSAN-MRXNPFEDSA-N 315.421 -0.186 30 20 DBED C#CCCN1CC[C@](C)(NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 1046668606 HSXXCCWTISUEJB-INIZCTEOSA-N 318.377 -0.699 30 20 DBED N#Cc1nc(=N[C@H]2C[C@H](CNC(=O)[C@@H]3CCNC3=O)C2)cc[nH]1 1046982202 KEFXTMQSZNYEPV-GMTAPVOTSA-N 314.349 -0.787 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCCC(=O)N2)C1 1047525444 UCYJUXYNCQKQNQ-RDBSUJKOSA-N 307.394 -0.428 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cnn3c(=O)cc[nH]c23)C1 1047553882 BXQHNBACWQHSPP-RYUDHWBXSA-N 317.349 -0.674 30 20 DBED C=CCCOCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CSC)C1 1048184432 RIHRPIRCIRREBV-RYUDHWBXSA-N 316.423 -0.028 30 20 DBED C=C(C)CCC(=O)N(C)[C@H]1CN(C(=O)Cn2nccn2)C[C@@H]1O 1048941676 ZCNFUMGMQLLYMQ-STQMWFEESA-N 321.381 -0.336 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C(C)(C)C(N)=O)C1 1048990158 MHBSSSKKVCJXNW-RYUDHWBXSA-N 323.393 -0.669 30 20 DBED C[C@@H](CN1CCOCC1)C(=O)N1C[C@@H]2CN(CC#N)C[C@@H]2C1 1049215411 CFGVYHXCHLKYQN-SOUVJXGZSA-N 306.410 -0.132 30 20 DBED CC(=O)NC(C)(C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)C#N)C1 1049394155 ICINXSBRJUULAH-USWWRNFRSA-N 324.381 -0.909 30 20 DBED C=C(Cl)CN1CCOC[C@H]1CNC(=O)[C@@H]1COC(=O)N1 1050901657 CKUKUFMQNILFQM-ZJUUUORDSA-N 303.746 -0.336 30 20 DBED CC#CCN1CCOC[C@@H]1CNC(=O)c1ccc(C(N)=O)[nH]1 1051113677 ZGLOYMDNBBKALE-NSHDSACASA-N 304.350 -0.433 30 20 DBED CC#CCN1CCOC[C@H]1CNC(=O)c1ccc(C(N)=O)nc1 1051268124 GJHZZPVNKDCUOX-CYBMUJFWSA-N 316.361 -0.366 30 20 DBED CCCn1nnnc1CNC[C@H]1CN(C(=O)[C@H](C)C#N)CCO1 1051495662 WGXCOZIQGHHGPL-NEPJUHHUSA-N 321.385 -0.440 30 20 DBED N#CCN1CCN([C@@H]2CCN(C(=O)c3cnccn3)C2)CC1 1051974100 BNPSUZLMPPBYNP-CYBMUJFWSA-N 300.366 -0.168 30 20 DBED Cn1nccc1CC(=O)N1CC[C@H](N2CCN(CC#N)CC2)C1 1052019464 ZUFPSNZYYZGRMX-HNNXBMFYSA-N 316.409 -0.295 30 20 DBED C#CCN1CC2(C1)CN(C(=O)[C@H]1COCCN1CC)CCO2 1053321253 CECSZKYKCADDEA-CQSZACIVSA-N 307.394 -0.747 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)CCN1CCCC1=O)CCO2 1053536021 GLSZYKWQCSFUPH-UHFFFAOYSA-N 319.405 -0.065 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)[C@@]3(C)CCC(=O)NC3)CO2)C1 1053903554 SWONMHSMFMLMNJ-BBRMVZONSA-N 319.405 -0.115 30 20 DBED C[C@H](C#N)C(=O)N[C@]1(CO)CCCN(C(=O)c2cnn(C)c2)C1 1056092763 CUDXWEGVPLWFQC-IAQYHMDHSA-N 319.365 -0.337 30 20 DBED N#Cc1cncc(N2C[C@@H]3C(NC(=O)Cc4nc[nH]n4)[C@H]3C2)n1 1056299046 YZJRLJCVCBAXRC-UWVGGRQHSA-N 310.321 -0.740 30 20 DBED CNC(=O)CC(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C)C#N 1056541070 RRFYIIPMSJUNFQ-GRYCIOLGSA-N 306.366 -0.126 30 20 DBED CN1CCO[C@@H](C(=O)N2CC[C@@H](N=c3cc[nH]cc3C#N)C2)C1 1056599890 SWJKGNZCFSTRCS-UKRRQHHQSA-N 315.377 -0.281 30 20 DBED N#Cc1nc(=N[C@@H]2CCN(C(=O)CCn3ccnn3)C2)cc[nH]1 1056617637 CBNDAHNVPVRPMN-LLVKDONJSA-N 312.337 -0.535 30 20 DBED C[C@@H](C(=O)N1CC[C@@H](Nc2ccc(C#N)nn2)C1)S(C)(=O)=O 1056816529 FQFCRNVFVQNXKC-GXSJLCMTSA-N 323.378 -0.206 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)c1cccc(O)n1 1057278295 BLOWIANQAVFKLX-UHFFFAOYSA-N 323.349 -0.460 30 20 DBED O=C(NCCN(CCO)C(=O)C#CC1CC1)[C@@H]1CC1(F)F 1057531529 SJWNBDNUGMRVBW-NSHDSACASA-N 300.305 -0.008 30 20 DBED C#CCO[C@H](C)C(=O)N(CCO)CCNC(=O)[C@@H](C)SC 1057583580 UDGCGUOIUHOFSV-VXGBXAGGSA-N 316.423 -0.287 30 20 DBED C=CCO[C@H](C)C(=O)N(CCO)CCNC(=O)[C@@H]1CCOC1 1057921667 MZJKDMPTAXREEF-CHWSQXEVSA-N 314.382 -0.449 30 20 DBED N#Cc1nccc(N2CC[C@@H](NC(=O)[C@@H]3CCCNC3=O)C2)n1 1058467458 MJLDPORIEIWKGQ-GHMZBOCLSA-N 314.349 -0.431 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)c1ccc(O)nc1 1058808219 BTZVRDPACXZTHI-SNVBAGLBSA-N 306.322 -0.502 30 20 DBED N#Cc1nccnc1N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[C@H]2C(N)=O)C1 1059784729 XXIFWLUMOSLYTO-LMLFDSFASA-N 314.349 -0.081 30 20 DBED C=CCOCC(=O)NC[C@H]1COCCN1C(=O)Cc1cnoc1 1061419023 FSOFGVHWRJGRNP-ZDUSSCGKSA-N 323.349 -0.237 30 20 DBED C=CCOCC(=O)NC[C@H]1COCCN1C(=O)[C@H](CC)OC 1061421134 JGCUFGWGVSRPKK-STQMWFEESA-N 314.382 -0.042 30 20 DBED CC(C)(C)C#CC(=O)N1CCOC[C@H]1CNC(=O)CC(N)=O 1061447921 CCYIHZXZEFUDOB-LLVKDONJSA-N 309.366 -0.745 30 20 DBED CN1CC[C@H](C(=O)N2CCOC[C@H]2CNC(=O)C#CC2CC2)C1 1061572442 VSRQCRKYALOVNZ-LSDHHAIUSA-N 319.405 -0.305 30 20 DBED Cc1cc(C#N)nc(N(C)C[C@@H]2CCN(C(=O)CC(N)=O)C2)n1 1062099793 JRPNOEDOBMLWBX-NSHDSACASA-N 316.365 -0.183 30 20 DBED COC(=O)NCC(=O)NC[C@H]1CCCCN1C(=O)[C@H](C)C#N 1062334108 MGDCCBAHJGISHX-GHMZBOCLSA-N 310.354 -0.001 30 20 DBED O=C(C#CC1CC1)N1C[C@@H]2C[C@H]1CN2c1ccc2nnnn2n1 1062487963 CPFLRLPZJXOHER-RYUDHWBXSA-N 309.333 -0.278 30 20 DBED N#Cc1nccnc1NC[C@H]1CCCN1C(=O)[C@H]1COC(=O)N1 1063478663 GUXHFLVENNJEDK-MWLCHTKSSA-N 316.321 -0.140 30 20 DBED N#Cc1ccc(N2C[C@H]3C[C@H]2[C@@H]3NC(=O)Cn2nccn2)nc1 1064300921 KSRLSZUINWMRCY-TYNCELHUSA-N 309.333 -0.062 30 20 DBED COCC(=O)NC[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)CCO1 1065053323 JNRLTIBMJAQVLT-LLVKDONJSA-N 306.322 -0.510 30 20 DBED C#CCCCC(=O)N1CCO[C@H](CNC(=O)[C@@H](C)NC(C)=O)C1 1065099652 MTMKWYRSXLHCLQ-TZMCWYRMSA-N 323.393 -0.342 30 20 DBED CC(=O)N(C)CC(=O)NC[C@H]1CN(C(=O)C#CC2CC2)CCO1 1065134525 IHYOKEAEXNNIPV-AWEZNQCLSA-N 321.377 -0.778 30 20 DBED C#CCO[C@H](C)C(=O)N1CCO[C@@H](CNC(=O)c2cn[nH]c2)C1 1065151810 DLIXMWMATTUIQV-YPMHNXCESA-N 320.349 -0.595 30 20 DBED N#Cc1cnc(NC[C@H]2CN(C(=O)C(N)=O)CCO2)c(Cl)c1 1066668830 LYKCUPAREQPBQU-VIFPVBQESA-N 323.740 -0.269 30 20 DBED CCc1nc(C#N)cc(N2CCC[C@@H](NC(=O)C(N)=O)CC2)n1 1066782552 KFNCDPNUIDJNFY-SNVBAGLBSA-N 316.365 -0.129 30 20 DBED C=CCOCC(=O)N(C)CCCN(C)C(=O)[C@H]1COCCO1 1066885869 FDOKSOLHBGDWNS-CYBMUJFWSA-N 314.382 -0.089 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](CNC(=O)c3cnon3)C2)cn1 1067677246 BBVRZTBQGZTPPS-RNCFNFMXSA-N 314.305 -0.437 30 20 DBED N#Cc1cncc(N2C[C@H](CNC(=O)c3cc[nH]c3)[C@@H](O)C2)n1 1067696584 WBTOPPKMGRVWDZ-AAEUAGOBSA-N 312.333 -0.097 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1COC2(C1)CN(C(=O)c1cnn(C)c1)C2 1069003141 KHSOHKQSSAMFJD-CMPLNLGQSA-N 317.349 -0.321 30 20 DBED C=CCCN1CCn2ncc(CNC(=O)[C@H]3COC(=O)N3)c2C1 1069859181 JAMKSKJHGAKJRV-GFCCVEGCSA-N 319.365 -0.001 30 20 DBED C=CCN1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CNC(=O)N2)C1 1070422794 IPKZZICZCASUBF-CMPLNLGQSA-N 318.381 -0.317 30 20 DBED N#CCN1CCNC(=O)CCN(C(=O)CC2OCCCO2)CC1 1070957802 XLVPYCSKUDDNGJ-UHFFFAOYSA-N 324.381 -0.686 30 20 DBED C=C(C)CN1C[C@@H](NC(=O)c2cn(CC(N)=O)nn2)CC[C@H]1C 1072098931 INIPMGYVADVIJJ-NEPJUHHUSA-N 320.397 -0.078 30 20 DBED C#CCCCC(=O)NC1(C)CCN(C(=O)Cn2cnnn2)CC1 1072863210 JZSSMHJFADLLSW-UHFFFAOYSA-N 318.381 -0.026 30 20 DBED C=CCCN1CCC2(C1)CN(C(=O)CN1CC(=O)N(C)C1=O)C2 1073123044 GCROQPVDYGFIBB-UHFFFAOYSA-N 320.393 -0.009 30 20 DBED C#CCCN1CCO[C@H]2CCN(C(=O)CS(C)(=O)=O)C[C@@H]21 1074177052 FOYGSBNTQKMVJJ-STQMWFEESA-N 314.407 -0.644 30 20 DBED C#CCOCCC(=O)N1CC[C@H](NC(=O)CNC(C)=O)C[C@@H]1C 1074782116 HVAGLXSXNHZFIC-JSGCOSHPSA-N 323.393 -0.342 30 20 DBED C[C@@H](CCNC(=O)CSCC#N)NC(=O)Cn1cncn1 1075678090 LPBATFRIDHQUCM-JTQLQIEISA-N 310.383 -0.454 30 20 DBED C=C(C)CCC(=O)N[C@@H](C)CCNC(=O)CS(=O)(=O)NC 1076624043 YBUXJXIRJSQKSC-NSHDSACASA-N 319.427 -0.097 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3cncn3)cc2)C1 1077171728 QTGLPTSRDYHMEH-HUUCEWRRSA-N 311.345 -0.325 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)c2nc3ncc(C)cn3n2)C1 1077199687 ZXPDJRGOEHTIJM-VXGBXAGGSA-N 316.365 -0.216 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)Cn2nnc3c2CCCC3)C1 1077690023 SELVRBILJACBEI-UKRRQHHQSA-N 319.409 -0.106 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2ccc(CNC(N)=O)cc2)C1 1078156787 IAEIQRMCOITRAE-ZIAGYGMSSA-N 316.361 -0.737 30 20 DBED N#Cc1ccc(C(=O)N2C[C@H]3CC[C@H]2[C@H](NCC(N)=O)C3)[nH]1 1078926540 OJTBLVFNEIBMRS-BIMULSAOSA-N 301.350 -0.046 30 20 DBED CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)c2c[nH]c(C(N)=O)c2)C1 1080418600 VHRDTJJYVJWDRR-VIFPVBQESA-N 317.349 -0.054 30 20 DBED C=CCOCC(=O)N1C[C@H](CNC(=O)COCC)[C@@H](O)C1 1081221223 QWNOLTIVGWLYSQ-RYUDHWBXSA-N 300.355 -0.839 30 20 DBED C=C(C)C(C)(C)C(=O)N1C[C@@H](O)[C@@H](CNC(=O)CC(N)=O)C1 1081361034 XUSHAMOGPYOWBI-WDEREUQCSA-N 311.382 -0.600 30 20 DBED O=C(CN1CCCC1)NC[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 1081499844 PGPYTVNNQBVUED-GJZGRUSLSA-N 319.405 -0.569 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](O)[C@H](CNC(=O)Cc2cnc[nH]2)C1 1081800658 SWXFLSMEMXWFOT-TZMCWYRMSA-N 318.377 -0.453 30 20 DBED C=CCOCC(=O)NC[C@@H]1CCCCN1C(=O)[C@@H]1CCC(=O)N1 1082193374 BHJOLDXBHUAROT-STQMWFEESA-N 323.393 -0.035 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)Cn1nnnc1C(C)C 1082215352 XPPXUKTUIQNQNH-GHMZBOCLSA-N 307.358 -0.865 30 20 DBED C[C@@H](C(=O)N(C)C)N1C[C@H](O)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 1083418296 CIMLEBTXDZRCHF-BIMULSAOSA-N 319.365 -0.862 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2cc(CN3CCCC3)on2)C1 1083782817 MXNVBPXTVOQVQH-CABCVRRESA-N 318.377 -0.322 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)Cn2ccc(C)cc2=O)C1 1083825349 OGKDEBYXYQJCDU-KGLIPLIRSA-N 303.362 -0.659 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@@]2(C)CCCS2(=O)=O)C1 1083854526 XHVHANHLJNNYIO-MBNYWOFBSA-N 314.407 -0.862 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCc3nncn3C2)C1 1084085895 IORRFPWTGJOFPP-MJBXVCDLSA-N 319.409 -0.032 30 20 DBED C[C@H](NC(N)=O)C(=O)NC[C@H]1C[C@@H](N=c2cc[nH]c(C#N)n2)C1 1091340266 ZQJWETGJTKJOLC-LPEHRKFASA-N 317.353 -0.866 30 20 DBED COC[C@H](OC)C(=O)N1CCN(c2ccc(C#N)nn2)CC1 1093193601 RFSNWTJREMVMBA-LBPRGKRZSA-N 305.338 -0.342 30 20 DBED N#Cc1ccc(N2C[C@@H]3C(NC(=O)CCn4cncn4)[C@H]3C2)nn1 1093214876 ZXSVOQIOJKGNSN-RYUDHWBXSA-N 324.348 -0.419 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@@H]2CN(c3cncc(C#N)n3)C[C@@H]12 1093266951 SKSYGGHVEFTVCI-VXGBXAGGSA-N 324.344 -0.961 30 20 DBED N#Cc1cnc(NCCNC(=O)CCn2cnnn2)c(F)c1 1093823291 AGQZZXHCUCDWLQ-UHFFFAOYSA-N 304.289 -0.303 30 20 DBED C=C(C)CN1CC(N2C[C@H](NC(=O)[C@H]3CCNC3=O)CC2=O)C1 1094768132 POQRYAZMCFTDQA-YPMHNXCESA-N 320.393 -0.900 30 20 DBED COC(=O)NCC(=O)N1CC[C@@H](N(C)c2ccnc(C#N)n2)C1 1095092324 BGWMOOCLQHJETP-SNVBAGLBSA-N 318.337 -0.259 30 20 DBED CSCC(=O)NCCN1CCN(c2cncc(C#N)n2)CC1 1096264384 WSFNVPNMXYLQPK-UHFFFAOYSA-N 320.422 -0.051 30 20 DBED N#Cc1cncc(N[C@H](CNC(=O)[C@@H]2COC(=O)N2)C2CC2)n1 1096662440 NSHKYEQNLOYEED-MNOVXSKESA-N 316.321 -0.237 30 20 DBED CC(C)(C(N)=O)C(=O)N[C@H]1C[C@@H](N=c2cc[nH]cc2C#N)C1 1097227786 OGIBHSZOONZSNI-PHIMTYICSA-N 301.350 -0.054 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CCNC(=O)C1)N=c1cc[nH]cc1C#N 1097774263 PGMZNKCBPRZVGH-WDEREUQCSA-N 301.350 -0.182 30 20 DBED C[C@@H](CNC(=O)CN1C(=O)CCC1=O)Nc1cnc(C#N)cn1 1097847773 IGOSMQLVVUUNLP-VIFPVBQESA-N 316.321 -0.586 30 20 DBED C[C@H](CNC(=O)C[C@H]1CCC(=O)NC1)N=c1cc[nH]c(C#N)n1 1098096541 XGBQQXXIYCYGLL-GHMZBOCLSA-N 316.365 -0.397 30 20 DBED CC(C)(C)C(=O)N1CCC(N(CCO)CC(=O)NCC#N)CC1 1098540436 LUGXEVKCENCCFU-UHFFFAOYSA-N 324.425 -0.042 30 20 DBED C#CCNC(=O)CNCc1cn([C@H]2CCN(C(=O)CC)C2)nn1 1098587927 CALLZCPQERZJPZ-ZDUSSCGKSA-N 318.381 -0.700 30 20 DBED C=CCNCc1cn([C@@H]2CCN(C(=O)Cn3nccn3)C2)nn1 1098679126 SEMPSNPFQYDPPU-CYBMUJFWSA-N 316.369 -0.381 30 20 DBED N#CCNCc1cn([C@@H]2CCN(C(=O)c3csnn3)C2)nn1 1098695370 UNCRPVLTGWYWKE-SNVBAGLBSA-N 318.366 -0.170 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)c2ncoc2C)[C@@H](O)C1 1099709239 DSXIFCRLNWUOHA-RYUDHWBXSA-N 322.365 -0.550 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CCN(CC(=O)N2CCCC2)C[C@@H]1O 1099823564 FMGACBMOPLUKIZ-CABCVRRESA-N 319.405 -0.426 30 20 DBED C#CCCCCCC(=O)N[C@H]1CCN(CC(=O)NC)C[C@H]1O 1099957620 UFPBPTDVFXVFKF-UONOGXRCSA-N 309.410 -0.133 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCN(C)c1cncc(C#N)n1 1100388092 AVEUIROAALKOGO-AWEZNQCLSA-N 312.377 -0.002 30 20 DBED CN(CCNC(=O)c1ccc2nn[nH]c2n1)c1ccnc(C#N)n1 1100391204 ZXLQBAMCHXOFSM-UHFFFAOYSA-N 323.320 -0.119 30 20 DBED CCN(CCNC(=O)Cn1cnnc1O)c1ccc(C#N)cn1 1100498141 VXOCGUWSHJXHFP-UHFFFAOYSA-N 315.337 -0.107 30 20 DBED C=CCNC(=O)CNC1CC(CNC(=O)Cn2ccnc2)C1 1101070152 LEWAYXLJOFLOIS-UHFFFAOYSA-N 305.382 -0.330 30 20 DBED N#Cc1nccc(N(CCNC(=O)[C@H]2CNC(=O)N2)C2CC2)n1 1101433033 WZXKZOZKODHJIX-SNVBAGLBSA-N 315.337 -0.885 30 20 DBED CCN(C(=O)CNC(C)=O)[C@@H]1CCN(c2ccc(C#N)nn2)C1 1102772011 ZUNVMCIFIKJTHY-CYBMUJFWSA-N 316.365 -0.088 30 20 DBED C[C@H](CN=c1cc[nH]cc1C#N)N(C)C(=O)CCn1cnnn1 1104647121 ARTRBLSVOUPZRQ-LLVKDONJSA-N 314.353 -0.289 30 20 DBED C#CCNCc1cn(C2CN(C(=O)C[C@@H]3CCCO3)C2)nn1 1105171745 QZDURASRMZPJIH-AWEZNQCLSA-N 303.366 -0.047 30 20 DBED C=CCNCc1cn(C2CN(C(=O)c3cnnn3CC)C2)nn1 1105230613 PBKFBOFVTBKQIC-UHFFFAOYSA-N 316.369 -0.138 30 20 DBED CNC(=O)NCC(=O)N(C)CCN(C)c1ccc(C#N)cn1 1105592450 JLHHQNSHDABQFD-UHFFFAOYSA-N 304.354 -0.223 30 20 DBED CCn1cc(C(=O)NC[C@@H](O)CN=c2cc[nH]cc2C#N)cn1 1105765724 FEZAZTWFOVFXHM-ZDUSSCGKSA-N 314.349 -0.206 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)C[C@H]2COC(=O)C2)nn1 1105819914 NUQSPAINQYISJJ-MWLCHTKSSA-N 319.321 -0.810 30 20 DBED Cc1ccnn1CC(=O)NC[C@H](O)CNc1cncc(C#N)n1 1106133307 IPWSORSYUWHUME-GFCCVEGCSA-N 315.337 -0.558 30 20 DBED C[C@@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)CN1CCCC1=O 1106195412 WGSRLTBMZPEPKK-NSHDSACASA-N 316.365 -0.301 30 20 DBED C=CCN1CC(n2cc(CNC(=O)[C@@H](C)OCCOC)nn2)C1 1107217471 MLASYNNGQROWSZ-GFCCVEGCSA-N 323.397 -0.012 30 20 DBED COCCCOCC(=O)NCc1cn(C2CN(CC#N)C2)nn1 1107227965 VQPSXMIEXXKIFL-UHFFFAOYSA-N 322.369 -0.672 30 20 DBED Cn1cccc(C(=O)NC/C=C/CN=c2cc[nH]c(C#N)n2)c1=O 1107270384 AQGJJYHCXHEVGZ-NSCUHMNNSA-N 324.344 -0.133 30 20 DBED C=CCOCC(=O)NC[C@@]1(C)CN([C@@H](CC)C(N)=O)CCO1 1107813364 RGURNGGLFMRJKH-WFASDCNBSA-N 313.398 -0.340 30 20 DBED C[C@@]1(CNC(=O)CNC(=O)c2ccoc2)CN(CC#N)CCO1 1107963282 PKYKMABTTGCAIZ-OAHLLOKOSA-N 320.349 -0.260 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)CN(C)C(=O)C(C)C)C1 1107980830 YKBIZIASFDUGOD-MRXNPFEDSA-N 309.410 -0.059 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)c2ccc3nnnn3c2)C1 1108070538 XRSKXSJAOHLMAS-HNNXBMFYSA-N 314.349 -0.422 30 20 DBED COCC#CCN1CC(N2C[C@H](NC(=O)[C@@H](C)OC)CC2=O)C1 1108516449 XFUCSBHUXCXCGJ-CHWSQXEVSA-N 323.393 -0.928 30 20 DBED CCCCOCC(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1 1108526086 UHFPQDTYOZMYQC-GFCCVEGCSA-N 308.382 -0.272 30 20 DBED C=CCCN1CC(N2C[C@H](NC(=O)CCN(C)C)CC2=O)C1 1108569243 CMMZZJOUSPMPLE-CYBMUJFWSA-N 308.426 -0.085 30 20 DBED C[C@@H](CNc1cnc(C#N)cn1)NC(=O)[C@@]1(C)CNC(=O)C1 1108610353 FFUDFKQRUQGSMI-LKFCYVNXSA-N 302.338 -0.209 30 20 DBED C[C@H](CN(C)c1cncc(C#N)n1)NC(=O)[C@@H]1CN(C)C(=O)N1 1109194895 XQWLFMUHIFMITD-KOLCDFICSA-N 317.353 -0.687 30 20 DBED C#CCNC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1ncc[nH]1 1109239398 BEPZHWGRPCFSBD-NDBYEHHHSA-N 315.377 -0.117 30 20 DBED N#Cc1ccc(NC2(CNC(=O)C3CS(=O)(=O)C3)CC2)nn1 1110242569 HCGFMMNJYIHLLD-UHFFFAOYSA-N 321.362 -0.546 30 20 DBED CO[C@H](C)C(=O)NC[C@@]1(O)CCN(c2ccc(C#N)nn2)C1 1111027057 ZORZDDQUDCZWJJ-YGRLFVJLSA-N 305.338 -0.559 30 20 DBED N#Cc1c[nH]ccc1=NCCN(CCO)C(=O)[C@]1(F)CCOC1 1111546424 JXSMINNJCFRELQ-HNNXBMFYSA-N 322.340 -0.263 30 20 DBED CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)CS(=O)(=O)NC)C1 1111988334 CMMIPPSTHIKJJT-JSGCOSHPSA-N 313.423 -0.470 30 20 DBED N#CCSCC(=O)NC[C@@H]1CN(c2ncccn2)C[C@H]1O 1112724940 GSZBVJLWTRYTHA-GHMZBOCLSA-N 307.379 -0.353 30 20 DBED C[C@H](NC(=O)c1nnn(C)n1)[C@H](C)Nc1cnc(C#N)cn1 1113258187 BFSWPHPQTKAYDB-YUMQZZPRSA-N 301.314 -0.509 30 20 DBED C=CCOCCN1CCN(C(=O)[C@H](C)NS(C)(=O)=O)CC1 1113384607 DWYNPAKMXWYMOG-LBPRGKRZSA-N 319.427 -0.729 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)CSC(C)C)[C@H]2C1 1113891705 WMFKISDSOAGLLD-JYAVWHMHSA-N 309.435 -0.076 30 20 DBED COCC#CCN1C[C@@H]2C(NC(=O)Cc3cncnc3)[C@H]2C1 1114188334 DKQDILNOEWIPAL-KBPBESRZSA-N 300.362 -0.285 30 20 DBED N#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@H]3CCCOCC3)[C@H]2C1 1114189760 VYMGZEFGWSADFV-RMRHIDDWSA-N 320.393 -0.511 30 20 DBED C#CCCCC(=O)NC1[C@H]2CN(CCN3C(=O)CNC3=O)C[C@H]12 1114201403 OPPWXQUZAKEZJS-RYUDHWBXSA-N 318.377 -0.612 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H]1[C@@H]2CN(CC(=O)N(CC)CC)C[C@@H]21 1114271160 QJKKEVGJTOBOTH-NYTXWWLZSA-N 321.421 -0.061 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)[C@H]3CCCNC3=O)[C@H]2C1 1114433521 LGHDXVGHQUOMBB-IGQOVBAYSA-N 305.378 -0.791 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@H]3CCC3(F)F)[C@H]2C1 1114447685 SYVOKPMTLLQMLV-XZUYRWCXSA-N 311.332 -0.173 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3c(C)n[nH]c3C)[C@H]2C1 1114978230 QXSBHZOLYRYSMM-JYAVWHMHSA-N 315.377 -0.564 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2[C@@H]3CN(CC(=O)NCC)C[C@@H]32)nc1 1115139929 NMDHLEPMHRMXJE-VIKVFOODSA-N 312.373 -0.141 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1C[C@H](CO)OC(C)(C)C1 1118089366 YIBYOYBJIDDYDZ-GHMZBOCLSA-N 300.355 -0.698 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)C(=O)N2CC[C@@H](n3cccn3)C2)C1 1118187564 ABQJMLSKXIPGJH-IUODEOHRSA-N 317.349 -0.466 30 20 DBED C[C@H](CO)C1CCN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)CC1 1118323156 CXHAZLBDTWKFEG-MLGOLLRUSA-N 323.393 -0.270 30 20 DBED CC(=O)N(C)CC(=O)NC[C@@H](CO)Nc1ncc(C#N)cc1F 1121085777 BMHUQICYBFAFHR-NSHDSACASA-N 323.328 -0.540 30 20 DBED C[C@@]1(C(=O)NC[C@@H](CO)Nc2cncc(C#N)n2)CCOC1 1121914809 RIZCLALPKNPRIG-SMDDNHRTSA-N 305.338 -0.336 30 20 DBED N#Cc1cnc(N[C@@H](CO)CNC(=O)c2csnn2)cn1 1122363276 HFNMWNZFJAQURJ-MRVPVSSYSA-N 305.323 -0.597 30 20 DBED COCCOCC(=O)N(C)C[C@@H](O)CNc1ccc(C#N)nc1 1124192384 VNYKMQJAOWNZOQ-AWEZNQCLSA-N 322.365 -0.153 30 20 DBED CN(C[C@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)/C=C/C1CC1 1124219234 JPDMABFFDGSNMR-ZYOFXKKJSA-N 301.350 -0.032 30 20 DBED CN(C[C@H](O)CNc1nccnc1C#N)C(=O)c1cn(C)cn1 1124245685 GVCASZJDYJXULO-SNVBAGLBSA-N 315.337 -0.373 30 20 DBED C#CCO[C@@H](C)C(=O)NCCNCc1nc(C2CC2)nn1C 1127046035 KNKDOLOTFNDPBH-NSHDSACASA-N 305.382 -0.063 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NCCN[C@@H]1CCC(=O)NC1=O 1127604614 HVZAXXZGUCFZAX-UTUOFQBUSA-N 309.366 -0.521 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)CN(C)C(=O)C1CC1 1128624344 YKPNWJCAYGTIJZ-NSHDSACASA-N 310.398 -0.749 30 20 DBED C=C(C)CN1C[C@H](n2ccnn2)[C@H](NC(=O)CNC(C)=O)C1 1128633600 PVGQSNVLIGBWEI-OLZOCXBDSA-N 306.370 -0.668 30 20 DBED CCOCCOCC(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1 1129470358 GMQJPQFEESKZNW-OLZOCXBDSA-N 322.369 -0.804 30 20 DBED CC#CCN[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@@H]1n1ccnn1 1130037948 DMXCQLNTNFIOAL-OLZOCXBDSA-N 314.353 -0.915 30 20 DBED CC(=O)N[C@@H](C)C(=O)N1C[C@H]2C[C@@H]3CN(CC#N)C[C@]2(C1)O3 1131177114 DWCSHNGZOAFDET-XTWPYSKKSA-N 306.366 -0.664 30 20 DBED C[C@H]1CC[C@@H](NC(=O)c2cnon2)CN1CC(=O)NCC#N 1132369520 YGKDXTQPIGJMRH-VHSXEESVSA-N 306.326 -0.708 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CCCN(CCC)C1 1132739573 SFSCLANGWOQEQY-LSDHHAIUSA-N 322.453 -0.048 30 20 DBED C[C@@H]1CCN(C(=O)CCNS(C)(=O)=O)C[C@@H]1CNCC#N 1132864764 BFHZDZYZQBFPTH-NEPJUHHUSA-N 316.427 -0.477 30 20 DBED C#CCCN[C@@H](C)C[C@H](C)NC(=O)CCS(=O)(=O)NC 1134352085 MXGKZDFWBOSICT-RYUDHWBXSA-N 303.428 -0.178 30 20 DBED C=CCCn1cc(C(=O)NCCNCC(=O)NC(C)C)nn1 1135072124 OTUNAOORSJQIPG-UHFFFAOYSA-N 308.386 -0.302 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)CCCC(N)=O 1146753794 BDFIYEYZHKBHHX-NWDGAFQWSA-N 310.398 -0.736 30 20 DBED C=C(Cl)CN1CCCO[C@@H](CNC(=O)CNC(N)=O)C1 1149124135 JNVZXWLMLUAFIK-JTQLQIEISA-N 304.778 -0.386 30 20 DBED CN1CC[C@@H](N2CCCO[C@H](CNC(=O)C#CC3CC3)C2)C1=O 1149700115 FGHOSYNHCXIHSA-HUUCEWRRSA-N 319.405 -0.162 30 20 DBED COCCC1(NC(=O)C2CN(C(C)=O)C2)CCN(CC#N)CC1 1151108352 RUIOIJWIEZPOBS-UHFFFAOYSA-N 322.409 -0.024 30 20 DBED CO[C@H](C(=O)NCCNCC(=O)NCC#N)c1ccc(F)cc1 1153071212 FBWBNDABIMTBTL-AWEZNQCLSA-N 322.340 -0.141 30 20 DBED Cn1[nH]c(CNCCCNC(=O)c2ccc(C#N)[nH]2)nc1=O 1156703223 HSDDCXINXTZQHW-UHFFFAOYSA-N 303.326 -0.782 30 20 DBED CC(C)[C@@H]1CCO[C@@H]1C(=O)NCCCNCC(=O)NCC#N 1158242465 AQGBMJWRNWCFMM-JSGCOSHPSA-N 310.398 -0.217 30 20 DBED C=CCNC(=O)[C@@H](C)NCCCNC(=O)[C@@H]1CC(=O)N(C)C1 1159270011 DSMFZGKSIFOBOM-VXGBXAGGSA-N 310.398 -0.749 30 20 DBED COCC#CCNCCCNC(=O)[C@H]1CCc2nnn(C)c2C1 1164598556 ACIYYRIKXVJHPB-ZDUSSCGKSA-N 319.409 -0.334 30 20 DBED C#CCNC(=O)CNCCCNC(=O)Cc1ccnc(OC)c1 1166714083 FXUKYTMVVGZBMK-UHFFFAOYSA-N 318.377 -0.522 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1cnn(CC(C)C)c1 1169277360 AJTFOIHRUBAHNL-UHFFFAOYSA-N 319.409 -0.002 30 20 DBED C=CCN1CCO[C@H]2CCN(C(=O)CCS(C)(=O)=O)C[C@H]21 1177042608 QRNKGDRKCDCSPI-OLZOCXBDSA-N 316.423 -0.091 30 20 DBED C#CCNCCCCCCNC(=O)CNC(=O)CNC(C)=O 1178846492 MJXOOJUPOOYGHD-UHFFFAOYSA-N 310.398 -0.862 30 20 DBED COCC#CCN[C@H]1CCN(C(=O)C[C@@H]2CCNC2=O)[C@H]1C 1178870910 SYIJFIAUJGHMMS-IHRRRGAJSA-N 307.394 -0.259 30 20 DBED C#CCNCCCCCCNC(=O)c1cn(C)c(=O)nc1O 1180255875 DTHIVWJKLDAPFH-UHFFFAOYSA-N 306.366 -0.001 30 20 DBED C=CCOCC(=O)N1CC[C@@H](NCC(=O)NCCCOC)C1 1181644756 VSVGTUXALKBYRG-CYBMUJFWSA-N 313.398 -0.468 30 20 DBED C=CCOCCN1C[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)[C@@H]2C1 1188979944 YQMXTGNNNQSJLH-RWMBFGLXSA-N 308.382 -0.597 30 20 DBED CCCNC(=O)NC(=O)CN(C)[C@@H]1CCN(C(=O)[C@@H](C)C#N)C1 1189389357 JIOVKSZKYNNSRP-NWDGAFQWSA-N 323.397 -0.085 30 20 DBED N#CCSCC(=O)N[C@@H]1CN(Cc2cccnc2)C[C@H]1O 1191162478 VRALVBMEYIOAQH-CHWSQXEVSA-N 306.391 0.000 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(Cc2cnoc2C)C[C@H]1O 1192531306 UVDPEGDCJNFBJM-UMVBOHGHSA-N 309.366 -0.029 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CN(C[C@H]2CCc3ncnn32)C[C@H]1O 1192826846 JPBFAILOVQQDTK-MGPQQGTHSA-N 315.377 -0.660 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2c(C)noc2C)C[C@H]1O 1192844425 SRHDTQOSEVIVIS-NWANDNLSSA-N 321.377 -0.009 30 20 DBED CN(CC(=O)NCC#N)[C@H]1CCN(C(=O)c2cccnn2)C1 1192998229 HFSUZZYVLRTCJV-NSHDSACASA-N 302.338 -0.737 30 20 DBED CN1CC[C@@H](CC(=O)N2CC[C@H](N(C)CC(=O)NCC#N)C2)C1 1193461236 GWOUWXFPMURDJX-KBPBESRZSA-N 321.425 -0.499 30 20 DBED C=C(C)C[C@@H](C)C(=O)N[C@@H]1CN(CC(=O)N2CCC2)C[C@H]1O 1195526415 WXVMJILEGAOHNG-MGPQQGTHSA-N 309.410 -0.018 30 20 DBED CO[C@H](C(=O)N1CCCN(CC(=O)NCC#N)CC1)C(C)C 1197028854 KOUGDUWVWCBGJA-AWEZNQCLSA-N 310.398 -0.169 30 20 DBED CCCN(C)CCC(=O)N[C@@H]1CN(CC#CCOC)C[C@H]1O 1198004041 SAIJDLVIZVIBCW-HUUCEWRRSA-N 311.426 -0.471 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)N[C@@H]1CN(CC(=C)C)C[C@H]1O 1199081678 VAGDKFDUBHYWJN-CHWSQXEVSA-N 324.425 -0.012 30 20 DBED C#CCCNC[C@H]1CN(C(=O)[C@H]2CCC(=O)NC2)CCCO1 1200866872 ZBWIVUAGQOKWGG-KBPBESRZSA-N 307.394 -0.257 30 20 DBED C#CCCN[C@@H]1C[C@@H](NC(=O)Cn2ncn(C)c2=O)C12CCC2 1203095760 UCSXNMBTKLCWQW-CHWSQXEVSA-N 317.393 -0.378 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)COCC2CC2)CC1 1204614558 UFURTIAGBGDRPF-UHFFFAOYSA-N 321.421 -0.009 30 20 DBED C#CCNCC1CCN(C(=O)[C@H](C)N2C(=O)CCC2=O)CC1 1205416151 ZYPBMXHKZMMJDL-LBPRGKRZSA-N 305.378 -0.015 30 20 DBED CC#CCNCC1CCN(C(=O)c2cn(C)c(=O)nc2O)CC1 1206925164 MOBDPBFVPVTKIF-UHFFFAOYSA-N 318.377 -0.049 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)[C@@H](C)NC(=O)CC)[C@H](C)C1 1207056129 ADQXGNDXAJMYPN-JHJVBQTASA-N 324.425 -0.360 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)C2=COCCO2)C[C@H]1C 1214082691 FDLQFGFIVQDVGZ-FRRDWIJNSA-N 321.377 -0.551 30 20 DBED C=CCCC(=O)N1CCO[C@@H]2CN([C@@H](C)C(=O)NC(N)=O)C[C@@H]21 1217494142 XJHYGFQWPJDBQV-SDDRHHMPSA-N 324.381 -0.552 30 20 DBED C=CCC(CC=C)C(=O)N[C@@H]1CN(C[C@@H](O)COC)C[C@@H]1O 1219690103 XXZHIJSRJFIJFD-KFWWJZLASA-N 312.410 -0.077 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)CCc2ccnc(C)n2)C1 1220066636 PUZGBYQMYGPZJU-CABCVRRESA-N 302.378 -0.098 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2CCC)C1 1220306654 FBJYZDHSOQQLJU-SYQHCUMBSA-N 307.394 -0.667 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@H]2CCN(Cc3nnnn3C)C[C@H]21 1221539436 ZHGYAFYWDDWSMB-YNEHKIRRSA-N 318.381 -0.719 30 20 DBED C=CCNC(=O)CN1CC[C@H]1CN(C)C(=O)CNC(=O)CCC 1230977523 PTOYTQAJGRIPDZ-ZDUSSCGKSA-N 324.425 -0.262 30 20 DBED C#CCNC(=O)CC(=O)N(C)C[C@@H]1CCN1Cc1cncn1C 1233810039 ODCFYWVKAUVIEL-ZDUSSCGKSA-N 317.393 -0.408 30 20 DBED CC(C)C#CC(=O)N(C)C[C@@H]1CCN1[C@@H](C)C(=O)NC(N)=O 1234128189 BBBMPEAYILYISX-RYUDHWBXSA-N 308.382 -0.238 30 20 DBED CN1CCC[C@@H]1C(=O)N[C@H]1CCCN(CC(=O)NCC#N)CC1 1280706470 CYFNBTFTTJPLAO-UONOGXRCSA-N 321.425 -0.309 30 20 DBED CN1CCC(C#N)(NC(=O)c2ccc(S(N)(=O)=O)o2)CC1 1318370916 YUKAAOFVPXAROG-UHFFFAOYSA-N 312.351 -0.355 30 20 DBED C#CCCCNC(=O)C(=O)N1CCOC[C@@H]1c1noc(C)n1 1323218867 OZAUFULALUJZRE-LLVKDONJSA-N 306.322 -0.192 30 20 DBED C=CC[C@@H](CC)NC(=O)C(=O)N1CC[C@@H](S(N)(=O)=O)C1 1324711910 YJSNIMCKCPUUFM-NXEZZACHSA-N 303.384 -0.653 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N[C@@H]2CCN[C@@H](C)C2)nn1 1326583296 HGOJQURZTILLCR-WDEREUQCSA-N 306.370 -0.663 30 20 DBED C[C@H](C#N)CN(C)C(=O)C(=O)N1C[C@@H](N)[C@H](c2cnn(C)c2)C1 1326584956 SYDLCSCVUXECBX-KGYLQXTDSA-N 318.381 -0.709 30 20 DBED N#CCn1cc(NC(=O)C(=O)N2CCC(CCN)CC2)cn1 1326591525 RTHSCHUUHZIQTB-UHFFFAOYSA-N 304.354 -0.067 30 20 DBED C=C(C)COCCNC(=O)C(=O)NCCC1(C)OCCO1 1328887367 QKZTZGZXYXTVRB-UHFFFAOYSA-N 300.355 -0.035 30 20 DBED C=C[C@H](CO)NC(=O)C(=O)Nc1ccc(NC(=O)COC)cc1 1329787123 YKSJWLHQPQDRCX-SNVBAGLBSA-N 321.333 -0.127 30 20 DBED C[C@@H]1CN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CCCO1 1331945265 FKMGZUDIRNQUIE-OCCSQVGLSA-N 320.393 -0.177 30 20 DBED C=CCn1cc(CNC(=O)C(=O)NC[C@@]2(C)CCOC2)nn1 1332045182 PIUDIWQKRCMPSF-CQSZACIVSA-N 307.354 -0.377 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C#N)C2)CCN1C1CC1 1336516561 FZWXVKSUTIMDBX-GXTWGEPZSA-N 315.377 -0.053 30 20 DBED CCN1CCN([C@H](C)CNC[C@@H](O)CN(C)CCC#N)CC1 1336732923 IGYMPUPCLUQONQ-HZPDHXFCSA-N 311.474 -0.192 30 20 DBED N#CCCNS(=O)(=O)CCCS(=O)(=O)NCCC#N 1344580829 RZLDQXLWHFBHBA-UHFFFAOYSA-N 308.385 -0.957 30 20 DBED C#CCOCCNC(=O)C(=O)N1CC[C@@H](C2CCN(C)CC2)C1 1346543241 KGBACWVYAQNUBX-OAHLLOKOSA-N 321.421 -0.057 30 20 DBED C#CCN(CC)c1nnc(Cc2nn[nH]n2)n1C[C@@H]1CCOC1 1346804962 RAVFADFWXIPMGT-NSHDSACASA-N 316.369 -0.122 30 20 DBED N#C[C@@]1(F)CCN(C(=O)C(=O)N2CCSC[C@H]2CCO)C1 1348367592 SJZBBKYPHJWPCQ-MFKMUULPSA-N 315.370 -0.223 30 20 DBED N#CCN1CCC(CNC(=O)c2cnn(C[C@@H](O)CO)c2)CC1 1350790715 IGNQGJADXAKKRZ-CQSZACIVSA-N 321.381 -0.798 30 20 DBED C=C(Cl)CNC1(CNC(=O)[C@H](C)NS(C)(=O)=O)CC1 1368018792 GSQOPESLFIRTPI-VIFPVBQESA-N 309.819 -0.085 30 20 DBED C=C(Cl)CN1CC[C@H]1CNC(=O)Cn1nc(C)n(C)c1=O 1392881017 UQZOIZPIXDRATQ-NSHDSACASA-N 313.789 -0.167 30 20 DBED C[C@@H](C#N)C(=O)N(C)CC(C)(C)CNC(=O)CCn1cnnn1 1395021466 RNJCGIAIKYYEBX-NSHDSACASA-N 321.385 -0.176 30 20 DBED CNC(=O)NC(=O)[C@H](C)N[C@H]1C[C@H](CNC(=O)[C@@H](C)C#N)C1 1397110424 LQKVQOHJPFLLJI-NAKRPEOUSA-N 309.370 -0.525 30 20 DBED C[C@@H](C(=O)NCCN(C)C(=O)c1cc(C#N)c[nH]1)n1cncn1 1397899045 SPWGPUWHXQTOFI-JTQLQIEISA-N 315.337 -0.073 30 20 DBED CO[C@H](C(=O)NCCN(C)C(=O)[C@H](C)C#N)c1cnn(C)c1 1408636844 QBXBNSVZKVVNPN-PWSUYJOCSA-N 307.354 -0.158 30 20 DBED CC(=O)NCC(=O)N(C)CCN(C)C(=O)c1ccc(C#N)[nH]1 1409928759 BGJAFSUCNGXAFI-UHFFFAOYSA-N 305.338 -0.447 30 20 DBED CN(C)c1cc(NC(=O)Cn2cc(C#N)c(O)nc2=O)ccn1 1412634744 WUKUCMHSADOYNN-UHFFFAOYSA-N 314.305 -0.080 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CCN(C(=O)C(C)(C)N2CCOCC2)C1 1414555499 AHADAUGZXPOJPS-QWHCGFSZSA-N 322.409 -0.026 30 20 DBED Cn1c(C#N)ccc1C(=O)N1CCS(=O)(=O)[C@H]2COCC[C@@H]21 1434066633 SHHWOAQETSFMBQ-AAEUAGOBSA-N 323.374 -0.075 30 20 DBED N#Cc1cn(CCC(=O)N2CC[C@](F)(C#N)C2)c(=O)nc1O 1447741209 COAQSNSFJPHYOZ-ZDUSSCGKSA-N 305.269 -0.325 30 20 DBED C[C@H](CNC(=O)c1cnn(C)n1)N(C)C(=O)c1c[nH]c(C#N)c1 1486929124 NFXACYJPXMOHAN-SECBINFHSA-N 315.337 -0.095 30 20 DBED N#Cc1ncc(NC[C@H]2CCS(=O)(=O)C2)nc1-c1nn[nH]n1 1570922405 INGFEPNZWNNFOE-SSDOTTSWSA-N 320.338 -0.625 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@@H](NC(=O)CNC(=O)O)C(C)C 1573348641 YRLUZKJWYCBMNR-YGRLFVJLSA-N 315.370 -0.162 30 20 DBED Cc1oc(C#N)cc1C(=O)NCC[C@H]1CNCCS1(=O)=O 1579927471 SOLVCZIUEIUESA-NSHDSACASA-N 311.363 -0.034 30 20 DBED N#Cc1cn(CC(=O)NCc2cccc(-c3nn[nH]n3)c2)nn1 1581876684 BMHYQNGQZVNTQJ-UHFFFAOYSA-N 309.293 -0.354 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N(C)CCC(=O)O)C1=O 1588464385 OCKYUVQWCCJQTO-SNVBAGLBSA-N 311.338 -0.835 30 20 DBED C=CCN(C)C(=O)C(=O)NCc1nc(-c2nn[nH]n2)cs1 1588625414 JBHICVOPTBOFHM-UHFFFAOYSA-N 307.339 -0.416 30 20 DBED CC1(C)CC[C@@H](n2c(=O)c(C#N)cn(CC(=O)O)c2=O)C1=O 1589224757 PFQWISXLMWGGQQ-SECBINFHSA-N 305.290 -0.104 30 20 DBED CN(C)CCCNC(=O)Cn1cnc(C#N)c1-c1nn[nH]n1 1591016166 DLYCSPDQFZNHPE-UHFFFAOYSA-N 303.330 -0.997 30 20 DBED Cn1cccc1C(=O)C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[nH]1 1592581785 KWKJUMIIFHGYGY-UHFFFAOYSA-N 311.265 -0.379 30 20 DBED N#CCN1CCN(C(=O)Nc2ccnc(-c3nn[nH]n3)c2)CC1 1592678440 XEMRARNUMPGDCI-UHFFFAOYSA-N 313.325 -0.065 30 20 DBED O=S1(=O)CC[C@H](NN=Cc2ccc(-c3nn[nH]n3)cc2)C1 1593464530 VASNJEUFOUASRV-NSHDSACASA-N 306.351 -0.023 30 20 DBED C#CCN1CCC(C(=O)N[C@@H](Cn2ccnc2)C(=O)O)CC1 1602720672 BIILKYUHHXYMBY-ZDUSSCGKSA-N 304.350 -0.202 30 20 DBED CCn1cc(-c2nn[nH]n2)c(=O)n(Cc2ccc(C#N)cn2)c1=O 1609257522 AQOUAYNUGGGJPL-UHFFFAOYSA-N 324.304 -0.475 30 20 DBED C[C@H](OC(=O)C(C)(C)C#N)C(=O)N[C@@H]1CCS(=O)(=O)C1 1647162659 GTKUWFRQHLUEDD-DTWKUNHWSA-N 302.352 -0.229 30 20 DBED N#CCNC(=O)CN1CCC[C@H](NC(=O)c2ccns2)C1 1660825982 DDJKRHPWFZUDCN-JTQLQIEISA-N 307.379 -0.023 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 1690817901 WJRKLSNGQNNQGZ-HUUCEWRRSA-N 320.437 -0.247 30 20 DBED C[C@@H](C#N)C(=O)NCCCN(C1CC1)[C@@H](C)C(=O)NC(N)=O 1752247208 NACLVZMFPNLVNP-UWVGGRQHSA-N 309.370 -0.300 30 20 DBED Cc1n[nH]cc1C(=O)NC[C@@H](NCC(=O)NCC#N)C1CC1 1752471497 BNKHZFZRJUBOLM-GFCCVEGCSA-N 304.354 -0.544 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@H](NC(=O)c2cnn(CCC)c2)C1 1752669047 IDUPHYHLTOEAGG-HDJSIYSDSA-N 317.393 -0.107 30 20 DBED C=CCNC(=O)NC(=O)CNC[C@H]1CCN(C(=O)C(F)F)C1 1752927837 SZUFWQPFHOAPJC-SECBINFHSA-N 318.324 -0.299 30 20 DBED COCC#CCNCCN(C)C(=O)[C@@H]1CCCCS1(=O)=O 1753197385 YBYMIXCJHDJTBD-ZDUSSCGKSA-N 316.423 -0.349 30 20 DBED N#CCSCC(=O)NC1CN(CC(=O)Nc2cnccn2)C1 1753370658 NHKDLQKSAIYDIH-UHFFFAOYSA-N 320.378 -0.528 30 20 DBED CCN(CCNCC#CCOC)C(=O)CCn1ncn(C)c1=O 1754058383 AOWIEMCHEGLEAG-UHFFFAOYSA-N 323.397 -0.940 30 20 DBED N#CCNC(=O)CNC[C@@H](NC(=O)Cn1cccn1)C1CC1 1754434263 QBORKFQAZRATLT-GFCCVEGCSA-N 304.354 -0.993 30 20 DBED C#CCNC(=O)CNC1(CNC(=O)CC[C@@H]2CCCN2C)CC1 1754516061 MZODTRNZHCGRPP-AWEZNQCLSA-N 320.437 -0.151 30 20 DBED C=CCN1CC[C@](O)(CNC(=O)c2ccn(CCN(C)C)n2)C1 1754751371 LNIJUPBUZJGBFN-INIZCTEOSA-N 321.425 -0.203 30 20 DBED C#CCNC[C@@H]1CN(C(=O)c2cn(CCOC)nn2)C[C@@H]1C 1754815794 XRSQATUIXFVCBT-QWHCGFSZSA-N 305.382 -0.145 30 20 DBED Cn1ccc(CCC(=O)N[C@]2(CO)CCCN(CC#N)C2)n1 1754856789 RFKXMQXMHCFCIU-OAHLLOKOSA-N 305.382 -0.181 30 20 DBED C#CCNC(=O)CN1CCC[C@@H](NC(=O)c2nc[nH]n2)CC1 1755029748 PTXXLPQRBUPHRM-LLVKDONJSA-N 304.354 -0.862 30 20 DBED C=CCCN1CC(CCO)(NC(=O)c2nnc(O)nc2O)C1 1755334103 REVYOKJYZUFMCU-UHFFFAOYSA-N 309.326 -0.975 30 20 DBED C#CCNC(=O)[C@H](C)N1CC([C@@H](C)NC(=O)c2cncnc2)C1 1755374042 NSLNWFVBACBRMJ-NEPJUHHUSA-N 315.377 -0.335 30 20 DBED C#CCN1CC([C@H](C)NC(=O)CCCCCS(N)(=O)=O)C1 1755392478 SSQMRDAWXLFATM-LBPRGKRZSA-N 315.439 -0.095 30 20 DBED COCC#CCN1C[C@H]2CC[C@H]1CN2C(=O)CS(C)(=O)=O 1755393651 WEIGWFAESOLJTR-QWHCGFSZSA-N 314.407 -0.644 30 20 DBED C#CCNC(=O)CNC[C@H](C1CC1)N(C)C(=O)CN1CCCC1 1755573056 LSUALNZLEYJBAC-OAHLLOKOSA-N 320.437 -0.342 30 20 DBED C=CCCN[C@@H](CO)CNC(=O)Cc1c(C)nc(O)nc1O 1755642568 WUKHVIGOOUKLHB-SNVBAGLBSA-N 310.354 -0.618 30 20 DBED C#CCNC[C@@H]1CC[C@H](NC(=O)Cn2nc(C)n(C)c2=O)C1 1755746316 GYSSASCUNHGCKO-OLZOCXBDSA-N 305.382 -0.602 30 20 DBED C#CCN1CCC(C(=O)N(C)C[C@@H](O)CNCCOC)CC1 1755795749 JMMMWZIIBOFJEA-HNNXBMFYSA-N 311.426 -0.613 30 20 DBED C=CCCC(=O)NC1(CCO)CN(C(=O)[C@@H]2CC[C@@H]2C(N)=O)C1 1756078444 RDINRRLGVOFKMA-NWDGAFQWSA-N 323.393 -0.456 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H](CO)CNC(=O)c1ncccc1C 1756511324 YNWOJYOFDVLRIT-CHWSQXEVSA-N 319.361 -0.365 30 20 DBED CC#CCCCC(=O)NC[C@@H](CO)NC(=O)[C@H]1CCC(=O)NC1 1756543399 PHRATPLYYIZYCA-STQMWFEESA-N 323.393 -0.701 30 20 DBED CN(C[C@@H](O)CNC(=O)c1cnn(C)n1)C(=O)C#CC(C)(C)C 1756663262 SZCJETARVIHZCF-NSHDSACASA-N 321.381 -0.586 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@@H]1O 1757173953 NNIWQMQMVDCURQ-MCIONIFRSA-N 320.389 -0.238 30 20 DBED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C)[nH]n3)C2)C1 1780267965 RJIOULUEMDASMH-HNNXBMFYSA-N 302.334 -0.205 30 20 DBED C#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)C(OC)OC)CCO2 1785421075 KEMYAYGSQLLRLG-MRXNPFEDSA-N 324.377 -0.151 30 20 DBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)F)CCO2 1835484996 LZOIAPIEYCJQRL-HNNXBMFYSA-N 312.341 -0.176 30 20 DBED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)COCCO)C2 1841601237 MWAMWAQTEUZRQM-CYBMUJFWSA-N 324.377 -0.763 30 20 DBED C[C@H](S)C(=O)N1CC2(CCCN2C(=O)Cn2cncn2)C1 1843081992 BSEDHFJBTVREQV-JTQLQIEISA-N 309.395 -0.200 30 20 DBED CC[C@H](NC)C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846195286 YEHAHYZXKZCLEC-NSHDSACASA-N 307.350 -0.724 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN([C@@H](C)C(=O)NC2CC2)CC1 42570842 QERBBHSNDFFDJY-STQMWFEESA-N 306.410 -0.591 30 20 DBED C#CCOCCC(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C 161243428 AWFKWACXGJGILI-UHFFFAOYSA-N 316.317 -0.389 30 20 DBED N#Cc1nc(NC(=O)Cn2nc3ccccn3c2=O)[nH]c1C#N 181220350 PORFAGCHPQXPBG-UHFFFAOYSA-N 308.261 -0.399 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@@H]3CC[C@H](N)[C@H]3C2)C1=O 262361723 IXSPREPXENSKEB-DCAQKATOSA-N 320.349 -0.841 30 20 DBED N#Cc1ccccc1OCC(=O)NCCCN1CCNC(=O)C1 269917432 LUQVFLCZRMVWLE-UHFFFAOYSA-N 316.361 -0.125 30 20 DBED CS[C@@H]1CN(c2c(C#N)c(=O)n(C)c(=O)n2C)C[C@@H]1N(C)C 270302613 AYIBYXHHAGPOFM-WDEREUQCSA-N 323.422 -0.563 30 20 DBED CNC(=O)[C@@H]1CN(C(=O)C(=O)Nc2cccc(C#N)c2)CCO1 272806821 LNYFBCIEEZBKMD-LBPRGKRZSA-N 316.317 -0.530 30 20 DBED C=CCCO[C@@H](C)C(=O)N1CCN(S(=O)(=O)NC)CC1 282860483 HITGSVBYQURABF-NSHDSACASA-N 305.400 -0.424 30 20 DBED C=CCS(=O)(=O)CCNS(=O)(=O)c1cn(C)nc1C 287661314 CVRPZYWMJFZSRT-UHFFFAOYSA-N 307.397 -0.392 30 20 DBED C=C[C@H](CO)NC(=O)NCc1cccc(S(=O)(=O)NC)c1 292208662 CRCZUFGPQPWWJN-LLVKDONJSA-N 313.379 -0.059 30 20 DBED O=S1(=O)CCCC[C@@H]1C/N=C(/O)N1C[C@H]2COC[C@@H](C1)O2 328757524 VCVPEIVXTMUOQT-GRYCIOLGSA-N 318.395 -0.033 30 20 DBED Cn1nnc(C/N=C(/O)N2CCC[C@H](Cn3ccnn3)C2)n1 330241837 WGWASDMYVDFRIW-JTQLQIEISA-N 305.346 -0.372 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@H]1C=C[C@H](CO)C1 337071209 ORDPAVQOBIOCQY-RYUDHWBXSA-N 303.384 -0.380 30 20 DBED CC1(C)[C@H]2OCC[C@H]2[C@H]1NS(=O)(=O)N1CCO[C@H](C#N)C1 337071238 OTMBVZXRRVRGSY-KXNHARMFSA-N 315.395 -0.141 30 20 DBED CCN(CCC#N)S(=O)(=O)N1CCN(C[C@H](C)O)C[C@@H]1C 337191081 SFKOWWJFRMUFFX-STQMWFEESA-N 318.443 -0.146 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)NC[C@@H](CO)[C@H]1CCOC1 337771849 ONNVWZZKANGGRX-WOPDTQHZSA-N 305.400 -0.300 30 20 DBED CCn1cc(C#N)c(=O)n(CC(=O)N[C@H](C(C)=O)C(C)C)c1=O 340939970 OFSQSSIKZFIBNO-ZDUSSCGKSA-N 320.349 -0.369 30 20 DBED CC#CCN(C)C(=O)C(=O)Nc1cnc(OC)c(C(N)=O)c1 344229795 LMLDAEKSXBILBM-UHFFFAOYSA-N 304.306 -0.391 30 20 DBED C=CCN(CCOC)C(=O)C(=O)NC[C@@H]1CN(C)CCN1C 347975663 XTVOYLDXOVLAQQ-CYBMUJFWSA-N 312.414 -0.991 30 20 DBED C=C[C@H](CO)NS(=O)(=O)C1CN(C(=O)c2ccccc2)C1 349784225 PDHVXZYUUOEDEO-GFCCVEGCSA-N 310.375 -0.023 30 20 DBED Cn1ncc(C(=O)NCc2cccc(S(N)(=O)=O)c2)c1C#N 354412722 HFIMEAANUXDXOQ-UHFFFAOYSA-N 319.346 -0.131 30 20 DBED Cn1ncc2c(O)nc(=NCCCc3[nH]nc(N)c3C#N)[nH]c21 362820550 OTOOLBGZLDDWCE-UHFFFAOYSA-N 313.325 -0.288 30 20 DBED C[C@H](C(=O)N1CCO[C@@H](C#N)C1)N1C(=O)NC2(CCCC2)C1=O 363391122 OVGADWHTSPZLAV-MNOVXSKESA-N 320.349 -0.010 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCN2C(=O)OC[C@H]2C1 374463289 UHDFGTPWWLAYNQ-WDEREUQCSA-N 316.383 -0.151 30 20 DBED C=CCCOCCNC(=O)C(=O)N1C[C@@H](CO)OC(C)(C)C1 422401609 SGGISHXWUZWILZ-LBPRGKRZSA-N 314.382 -0.306 30 20 DBED CC(C)(CC#N)CNC(=O)N1CCS(=O)(=O)[C@@H](C(=O)O)C1 424400840 WAYDITDLIKZEML-SECBINFHSA-N 317.367 -0.181 30 20 DBED C=CCCn1cc(C(=O)N2CCC[C@H](O)[C@@H]2C(=O)OC)nn1 424792398 CQHKXKHZIQPPKN-NWDGAFQWSA-N 308.338 -0.007 30 20 DBED C#CCN(CC#N)C(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1 491013414 JIBYVBQKKXNYCS-JTQLQIEISA-N 309.351 -0.928 30 20 DBED C#CCNC(=O)CCN1CC[C@H](n2cc(C(=O)OC)nn2)C1 491202429 OEUOMEUDIRNBMA-NSHDSACASA-N 305.338 -0.549 30 20 DBED C#CCNS(=O)(=O)CCCS(=O)(=O)Nc1ccn(C)n1 491619676 BKTKTCVNQPGLIB-UHFFFAOYSA-N 320.396 -0.896 30 20 DBED COCCNC(=O)Cn1cc(NC(=O)NC[C@@H](C)C#N)cn1 532050788 BUKPAAYZYOXPIL-JTQLQIEISA-N 308.342 -0.073 30 20 DBED C=CCOC[C@@H](NC(=O)NCCCS(C)(=O)=O)C(=O)O 577810740 FDLZCEKDPUMLQB-SECBINFHSA-N 308.356 -0.624 30 20 DBED CNS(=O)(=O)NC1CCN(C(=O)[C@]2(C#N)C[C@H]2C)CC1 579847055 SRAMBMURIATICM-SKDRFNHKSA-N 300.384 -0.419 30 20 DBED CN1CCN(C(=O)CCNC(=O)c2cccc(C#N)n2)CC1 589611904 KQYFLBKNVYFQBA-UHFFFAOYSA-N 301.350 -0.153 30 20 DBED COC(=O)[C@H]1C[C@@H](O)CN(S(=O)(=O)CCCCC#N)C1 592120155 YHAROLLDIFYTCA-WDEREUQCSA-N 304.368 -0.134 30 20 DBED CO[C@H]1CS(=O)(=O)C[C@@H]1NS(=O)(=O)CC(C)(C)CC#N 594823021 QGLHNUURCDDOCU-UWVGGRQHSA-N 324.424 -0.342 30 20 DBED N#Cc1ccccc1OC[C@H](O)CN[C@]1(C(N)=O)CCOC1 599454377 LZLPTVKFDRVGQK-IUODEOHRSA-N 305.334 -0.468 30 20 DBED C=C[C@H](O)C(=O)NCc1ccc(OC)c(S(N)(=O)=O)c1 614941606 XJALNHYUYUUHHK-VIFPVBQESA-N 300.336 -0.494 30 20 DBED CC#CC[C@@H](CO)NC(=O)CS[C@H]1CCS(=O)(=O)C1 717748964 LAHNMXRTYNKPEU-QWRGUYRKSA-N 305.421 -0.203 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)c2ccnc(C)n2)CC1 733148724 JSGKIOOSXSLPJG-UHFFFAOYSA-N 315.377 -0.318 30 20 DBED Cn1c(NCc2ccc(C(=O)O)o2)c(C#N)c(=O)n(C)c1=O 739014386 PCQSKBSHVUAFEE-UHFFFAOYSA-N 304.262 -0.141 30 20 DBED C#CCNC(=O)COC(=O)c1cn(CC(=O)C(C)(C)C)nn1 745518028 IFDKAQXPQIWXRK-UHFFFAOYSA-N 306.322 -0.201 30 20 DBED N#Cc1c(N2CCN3C(=O)OC[C@H]3C2)cccc1S(N)(=O)=O 755025535 AHNHBCFVJSXBBY-SECBINFHSA-N 322.346 -0.154 30 20 DBED CCS(=O)(=O)NCC(=O)NCCNc1ccc(C#N)cn1 758356331 YJLREHWEVLAVRO-UHFFFAOYSA-N 311.367 -0.579 30 20 DBED C#C[C@@H](NC(=O)NCC(C)(C)NS(C)(=O)=O)[C@@H]1CCCO1 773297300 SPSSLZCYTXDXFR-MNOVXSKESA-N 317.411 -0.206 30 20 DBED N#C[C@H]1CSCCN1C(=O)Cn1[nH]cc2c(=O)ncnc1-2 775497310 HALIEZZUPWZYOL-QMMMGPOBSA-N 304.335 -0.461 30 20 DBED CCCC(CC)=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 776187568 IYWVBXZRPWOPBE-UHFFFAOYSA-N 316.383 -0.072 30 20 DBED C#CCOCCNC(=O)N1CCC[C@H](CNS(C)(=O)=O)C1 784548440 GRYKVYQRKXCYDG-GFCCVEGCSA-N 317.411 -0.393 30 20 DBED C#CCOCCNC(=O)[C@H](C)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 784594835 IZEDKZAIKGEWAS-ZOLYEBIHSA-N 320.345 -0.697 30 20 DBED C#CCn1cc(CNC(=O)c2coc(S(=O)(=O)NC)c2)cn1 788221168 QCWGSUGAZPCKDB-UHFFFAOYSA-N 322.346 -0.053 30 20 DBED C#C[C@H](NC(=O)C(=O)NC[C@@H]1CCN(C2CC2)C1)[C@@H]1CCCO1 788777006 RLWJCKBGWLXJAY-QEJZJMRPSA-N 319.405 -0.116 30 20 DBED C=CCN1CC[C@@H](N(C)Cn2nc3cnccn3c2=O)C1=O 799143605 MTDHUDLKFHVEGJ-LLVKDONJSA-N 302.338 -0.433 30 20 DBED CC#CC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC(N)=O 801169322 UABUKNJISCCFDJ-ZDUSSCGKSA-N 301.346 -0.271 30 20 DBED Cc1nc2ncnn2c(C)c1C(=O)OCC(=O)NCCC#N 801436311 KQUPWYSKQFFFPZ-UHFFFAOYSA-N 302.294 -0.072 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@H](C)c1cnn(C)c1)[C@@H]1CCCO1 805731603 GKMGVSCGIURXTM-WXHSDQCUSA-N 304.350 -0.106 30 20 DBED CC#CCS(=O)(=O)NC(=O)Cn1nnc2ccccc2c1=O 810776446 TYVJCZPFYLLYGG-UHFFFAOYSA-N 320.330 -0.739 30 20 DBED C#CCO[C@@H](C)C(=O)NC1CCN([C@H]2CCN(C)C2=O)CC1 820632333 JNUOXAYXFJPUPS-JSGCOSHPSA-N 307.394 -0.164 30 20 DBED COCCN1C(=O)C[C@H](N2CCC(C#N)(C(=O)OC)CC2)C1=O 821781065 KHBLMCIZYXXXOM-NSHDSACASA-N 323.349 -0.461 30 20 DBED C[C@H](CS(=O)(=O)N1CCN(C2CC2)[C@H](C#N)C1)C(=O)O 827545707 CSVTYZMZHQNENG-MWLCHTKSSA-N 301.368 -0.291 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)/C=C/c2ccc[nH]2)CC1 831568540 JXXANQFFBASSNS-AATRIKPKSA-N 322.390 -0.360 30 20 DBED C=CCONC(=O)CCNS(=O)(=O)c1cn(C)c(C)n1 837046191 GHWRMJKZBFGLCH-UHFFFAOYSA-N 302.356 -0.369 30 20 DBED C=CCONC(=O)NCCS(=O)(=O)N1CCSCC1 838707799 QPKQEUAGVWOZSH-UHFFFAOYSA-N 309.413 -0.218 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2cnn(C3CC3)c2)CC1 859178496 BIIFSLBCVQVIIE-UHFFFAOYSA-N 315.377 -0.275 30 20 DBED CCc1nn(C)cc1/C=C\C(=O)c1c(O)n(C)c(=O)n(C)c1=O 876498234 SCHQBJAOZLDNPE-SREVYHEPSA-N 318.333 -0.018 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N2CCC[C@H]2C2OCCO2)CCO1 907669914 HIDJPNMDFBUILR-MNOVXSKESA-N 317.367 -0.707 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)CCNC(=O)OCC 915027005 GFEZGVCKWPGYAI-UHFFFAOYSA-N 301.299 -0.322 30 20 DBED COc1ccc(C(=O)NO)cc1S(=O)(=O)N1CCOCC1 916665897 FFKDIDAINAKQGW-UHFFFAOYSA-N 316.335 -0.165 30 20 DBED C[C@@]1(C2CC2)NC(=O)N(CC(=O)[C@H](C#N)C(=O)NC2CC2)C1=O 916926523 HQZNPFDLPBVPBS-BONVTDFDSA-N 318.333 -0.306 30 20 DBED CS(=O)(=O)CC(=O)NS(=O)(=O)c1cccc(C#N)c1 920104787 ZWFDNJSYGRLKCK-UHFFFAOYSA-N 302.333 -0.592 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 929568181 SZOFPMBQNSLTJA-AQRJEWBLSA-N 319.405 -0.144 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CC(C)(C)O)C1 938171075 VWURBTMLDUMYRP-KBPBESRZSA-N 321.421 -0.038 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)[C@H]3COCCO3)C2)[nH]1 940061276 ZUYDFJFXARXMOE-DGCLKSJQSA-N 318.333 -0.368 30 20 DBED Cc1c(C(=O)N[C@H]2[C@H]3C[C@H]2N(C(=O)C#CC2CC2)C3)nnn1C 946856785 ZNWOOBFSAHEHJT-ZOWXZIJZSA-N 313.361 -0.134 30 20 DBED N#Cc1c[nH]c(C(=O)N2C[C@H]3C[C@H]2[C@H]3NC(=O)c2cnn[nH]2)c1 947490348 RTHVOTOCCAMDQK-ZHAHWJHGSA-N 311.305 -0.353 30 20 DBED CC#CCN1CCOC2(CCN(C(=O)[C@@H]3COC(=O)N3)CC2)C1 949348987 QHJLMOOQLFDWSO-ZDUSSCGKSA-N 321.377 -0.189 30 20 DBED C#CCN1CCOC2(CCN(C(=O)c3cnn(C)n3)CC2)C1 949493330 SVZDLBFJRMTDJB-UHFFFAOYSA-N 303.366 -0.245 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@@H]3CCN(C(=O)C(N)=O)[C@@H]3C2)[nH]1 953308718 DCEAQLCMLHLUDI-BXKDBHETSA-N 315.333 -0.565 30 20 DBED C[C@H]1C[C@H](NC(=O)C(N)=O)CCN1C(=O)c1cc(C#N)c[nH]1 955618985 XJXIUUNOSZIEAS-WCBMZHEXSA-N 303.322 -0.519 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2cnc(OC(C)C)cn2)C1 958070263 ZCARLAQLWYLAGW-TZMCWYRMSA-N 318.377 -0.081 30 20 DBED C=C(C)CN1C[C@H](CNC(=O)c2cc3n(n2)CCO3)[C@@H](O)C1 958135069 KDBYJXLVJUXWME-AAEUAGOBSA-N 306.366 -0.126 30 20 DBED CN1CC[C@@H](N2C[C@H]3[C@H](NC(=O)c4cc(C#N)c[nH]4)[C@H]3C2)C1=O 958505605 ZAVFBHHWJPHEBA-WVWOOGAGSA-N 313.361 -0.223 30 20 DBED CN(C(=O)c1cc[nH]n1)[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 958641866 QNGBDSJDSLKXIN-STQMWFEESA-N 302.334 -0.533 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cscn2)C1 958734747 JADSETUOTQEPOO-MIMYLULJSA-N 308.363 -0.054 30 20 DBED CCn1ccc(C(=O)N(C)[C@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)n1 958845532 QDTVMZKIFXBXFI-DRZSPHRISA-N 319.365 -0.294 30 20 DBED C=CCCN1C[C@H]2C(NC(=O)CN3C(=O)NC(=O)C3(C)C)[C@@H]2C1 962197024 YONJTZUQEPCTLQ-GHMZBOCLSA-N 320.393 -0.061 30 20 DBED C=CCNC1CCC(N(C)C(=O)CN2CCNC(=O)C2)CC1 963787986 LAZZEWPQDLRRSY-UHFFFAOYSA-N 308.426 -0.037 30 20 DBED O=C(NC[C@H]1COCCN1C(=O)C#CC1CC1)c1ncccn1 964321993 PTPIKSMPZPBJAV-ZDUSSCGKSA-N 314.345 -0.153 30 20 DBED C#CCN(C)[C@H]1CCN(C(=O)Cc2ccc(C(N)=O)nc2)C1 971790432 YOWFJICQSDOFHC-ZDUSSCGKSA-N 300.362 -0.111 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)[C@@H]3CCN(C)C(=O)C3)C2)C1 972437852 MABJPAMVCHJOAC-RHSMWYFYSA-N 319.405 -0.209 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)c3cnon3)C2)[nH]1 973181513 WLGHZMALAGBMJI-KYZUINATSA-N 300.278 -0.040 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@@H](C)N2C(=O)CCC2=O)C(C)(C)C1 974637638 ZWMNGHYFYBMWPP-VXGBXAGGSA-N 305.378 -0.016 30 20 DBED C#Cc1cncc(C(=O)N2C[C@H]3[C@H](NC(=O)c4cnn[nH]4)[C@H]3C2)c1 976815430 MMRSTUJHOHDKAK-IMRBUKKESA-N 322.328 -0.319 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H](N(C)C(=O)CN2CCOCC2)C1 984584831 JDYALXVVACLOAA-UONOGXRCSA-N 322.409 -0.072 30 20 DBED C#CCN[C@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)[C@@H]1C 987355895 SNZBYEDWUZONJS-ZJUUUORDSA-N 300.322 -0.757 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(C)CC1CCN(C(=O)C(N)=O)CC1 988623699 YNTJMEJMPDJINO-OLZOCXBDSA-N 323.393 -0.240 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2COC(=O)N2)C1 992060260 AZRTWOGCQXTUOU-UTUOFQBUSA-N 323.349 -0.597 30 20 DBED CC#CCN1CCC[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)[C@@H]1C 994214601 UXIZYEYJRLFMAK-QWHCGFSZSA-N 320.393 -0.127 30 20 DBED C=CCNC1CC(N(C)C(=O)[C@@H]2CCN(C)S2(=O)=O)C1 999536491 RPFOASYOISHNRK-MCIGGMRASA-N 301.412 -0.215 30 20 DBED C[C@H](C#N)C(=O)N1CC([C@@H](C)NC(=O)c2cnnc(O)c2)C1 1006257251 LWTTUMJSJKKTAD-RKDXNWHRSA-N 303.322 -0.081 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(C(=O)Cn2nccn2)CC1 1011187626 CLTZRZXUOCDLLW-OLZOCXBDSA-N 319.365 -0.460 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)CC(N)=O)[C@H]2C)cn1 1011584262 AQRNMTBSRPYTII-GWCFXTLKSA-N 314.345 -0.343 30 20 DBED C=CCCn1cc(C(=O)N[C@H]2CCN([C@@H](C)C(=O)NC)C2)nn1 1015821633 YCLKHFBLDYLPPW-RYUDHWBXSA-N 320.397 -0.207 30 20 DBED N#Cc1cc(C(=O)N[C@H]2CC23CCN(CC(N)=O)CC3)c[nH]1 1016586334 FSMCFDFHVMEAQF-LBPRGKRZSA-N 301.350 -0.044 30 20 DBED C=CCN1C[C@@H]2CC[C@H](C1)N2C(=O)CCn1ncn(C)c1=O 1017765319 HMKYYDMTGNDMOJ-BETUJISGSA-N 305.382 -0.167 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@H](NCCN3CCNC3=O)C2)c1 1018681700 GIYVVUZAMRSHTL-LBPRGKRZSA-N 316.365 -0.284 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)Cc3cnc[nH]3)C[C@H]2O)C1 1025545389 DGBWGQPTVIGEJP-CHWSQXEVSA-N 318.377 -0.004 30 20 DBED CC#CCN1C[C@H]2[C@H](NC(=O)[C@H]3CN4CCC[C@@H]4CO3)[C@H]2C1 1025798651 CIOJZSUTOUMMRO-LJIZCISZSA-N 303.406 -0.081 30 20 DBED C#CCN(C)[C@@H]1CCCN(C(=O)CCn2cc[nH]c(=O)c2=O)C1 1027618770 PRLRFGPAOUYXBR-CYBMUJFWSA-N 318.377 -0.517 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2CCCN2CC(=O)NC)nn1 1028187418 JISVVLHZCVWENJ-NSHDSACASA-N 306.370 -0.596 30 20 DBED Cn1nnc(CN2CC[C@@H](CNC(=O)c3cc(C#N)c[nH]3)C2)n1 1028470318 HNRHRGNHSZVHGC-JTQLQIEISA-N 314.353 -0.338 30 20 DBED C#CCCN1[C@H]2CC[C@H]1CN(C(=O)C[C@@H]1NC(=O)NC1=O)C2 1029342126 WNWFCMBSYCEOBW-SRVKXCTJSA-N 304.350 -0.717 30 20 DBED CC#CCN1CC(CNC(=O)c2ccc(-n3cnnn3)cn2)C1 1031874224 MKZHWBBMGFMMNI-UHFFFAOYSA-N 311.349 -0.258 30 20 DBED C#CCN1CCO[C@H](CNC(=O)[C@@H]2CC(=O)N(CC(C)C)C2)C1 1035391409 ONPXPHOCIDDCML-HUUCEWRRSA-N 321.421 -0.059 30 20 DBED C#CCN1CC2(CCN(C(=O)[C@H]3COCCN3C(C)=O)CC2)C1 1035853514 NYWNJFRZQIWNKE-OAHLLOKOSA-N 319.405 -0.209 30 20 DBED N#Cc1cccc(CN2C[C@H]3C[C@H]2[C@@H]3NC(=O)Cn2ncnn2)c1 1037410135 JBAWBJYFWYGEEE-IJEWVQPXSA-N 323.360 -0.066 30 20 DBED C#CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1ccc(=O)n(CCOC)c1 1037487271 KPNMXEHFFYFHQF-IJEWVQPXSA-N 315.373 -0.070 30 20 DBED C#Cc1cncc(C(=O)N[C@H]2[C@H]3C[C@H]2N(Cc2nnn(C)n2)C3)c1 1037583247 WCVAPLPTBAETKZ-GUTXKFCHSA-N 323.360 -0.411 30 20 DBED C#CCN[C@@H]1CCN(C(=O)CN2CCOCC2=O)C[C@@H]1CC 1037860282 SJADVCOTOFKLAC-UONOGXRCSA-N 307.394 -0.305 30 20 DBED CC[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)CC[C@H]1NCC#N 1037868376 HUXWZEIEUURTPZ-VXGBXAGGSA-N 306.370 -0.678 30 20 DBED C[C@@H]1CCN(C(=O)C(N)=O)C[C@@H]1CNc1cnc(C#N)cn1 1039890319 ZEBWJXALFPCUHR-ZJUUUORDSA-N 302.338 -0.270 30 20 DBED C#CCN1[C@H]2CCC[C@H]1CN(C(=O)CN1CCC(=O)NC1=O)C2 1039969018 QMSRHDNIPCNUNG-STQMWFEESA-N 318.377 -0.373 30 20 DBED C#CCN1[C@H]2CCC[C@H]1CN(C(=O)C[C@@H]1CC(=O)NC1=O)C2 1040025846 UPEXLVYBLSKLAG-AVGNSLFASA-N 303.362 -0.262 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)CCCCN(C)C)C1 1040429697 IVHSUCWAHBYSMV-CZUORRHYSA-N 324.425 -0.042 30 20 DBED C[C@H]1CN(C(=O)C(N)=O)CC[C@@H]1CNc1ccc(C#N)nn1 1040444130 YAKSQUUXXVDBKN-VHSXEESVSA-N 302.338 -0.270 30 20 DBED Cc1ccc(C#N)c(N2C[C@@H](O)[C@H](NC(=O)[C@H]3CCOC3)C2)n1 1040939885 YRXMWYKRTLEVCZ-BFHYXJOUSA-N 316.361 -0.036 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)[C@H]2C[C@H]2OCC)C1 1042039804 IKBIGLKNKAGFGJ-NWDGAFQWSA-N 312.366 -0.697 30 20 DBED Cc1cc(C(=O)N[C@@H]2CN(c3cnc(C#N)cn3)C[C@@H]2O)on1 1043853387 AFPSDADKDUPPMH-MNOVXSKESA-N 314.305 -0.376 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)c3ccon3)C2)nn1 1043864237 VOXFMXVWNVOJQY-MNOVXSKESA-N 300.278 -0.684 30 20 DBED Cn1cc(C(=O)N[C@@H]2CN(c3ncccc3C#N)C[C@@H]2O)nn1 1043928926 JXDAVRGVVKJNLG-PWSUYJOCSA-N 313.321 -0.939 30 20 DBED C=CCCn1cc(C(=O)N(C)C2CN([C@@H]3CCNC3=O)C2)nn1 1044028788 XUUQHRHAFYWDET-CYBMUJFWSA-N 318.381 -0.501 30 20 DBED C#CCOc1ncccc1C(=O)N(C)C1CN(CC(=O)NC)C1 1044201877 HTAMFUYBOQJAGN-UHFFFAOYSA-N 316.361 -0.404 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)c2cnnc(O)c2)C1 1044475550 UENJCYRLJVJYHC-UHFFFAOYSA-N 320.349 -0.303 30 20 DBED C=C(C)CCC(=O)N1CC(O)(CNC(=O)C2(C(N)=O)CC2)C1 1045494319 XJVWUEGJOKQGAM-UHFFFAOYSA-N 309.366 -0.702 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)[C@@H]2CCC2(F)F)C1 1045556104 WVHLQUATUNSHMS-IUCAKERBSA-N 301.293 -0.119 30 20 DBED C=CCN1CC[C@@H](N2CCN(C(=O)[C@@H]3CCNC(=O)C3)CC2)C1 1046020360 RDYGZBWAEBFGKI-HUUCEWRRSA-N 320.437 -0.083 30 20 DBED N#CCN1C[C@H]2C[C@H](NC(=O)CC3CS(=O)(=O)C3)C[C@H]1C2 1047096796 FTMWMFGAVDYYMY-WCFLWFBJSA-N 311.407 -0.086 30 20 DBED C#CCCCC(=O)N1C[C@H]2C[C@@H](NC(=O)CNC(N)=O)C[C@H]1C2 1047302624 BPXOORYAJQIXIG-YNEHKIRRSA-N 320.393 -0.046 30 20 DBED Cc1nc2c([nH]1)C[C@@H](C(=O)N(C)[C@H]1CN(CC#N)C[C@@H]1O)CC2 1047435631 LXUMOPAAMYIFTM-CQDKDKBSSA-N 317.393 -0.150 30 20 DBED C=C[C@](C)(O)CC(=O)N(C)[C@H]1CN(C(=O)CSC)C[C@@H]1O 1048757552 INEYCJSAQWXQFQ-MJVIPROJSA-N 316.423 -0.293 30 20 DBED COC[C@H](OC)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C#CC2CC2)C1 1048824480 BDSUKVAKCLBZRR-IHRRRGAJSA-N 324.377 -0.909 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2CN([C@H]3CCNC3=O)C[C@@H]2C1 1049068412 RWOZMJYQPAUSCY-SEBNEYGDSA-N 319.405 -0.144 30 20 DBED C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)CN1CCN(C)C(=O)C1 1049561352 JTXSZWMFJLGRPI-HUUCEWRRSA-N 318.421 -0.541 30 20 DBED C[C@@H]1[C@@H](NC(=O)[C@@H]2CNC(=O)N2)CCN1c1ccc(C#N)nn1 1050952202 MSWPHANGGOXSFG-MIMYLULJSA-N 315.337 -0.887 30 20 DBED C=CCCN1CCOC[C@@H]1CNC(=O)c1cc(=O)n(C)cn1 1050966698 VQLPQGQHJDBSCE-LBPRGKRZSA-N 306.366 -0.213 30 20 DBED CC#CCN1CCOC[C@@H]1CNC(=O)[C@H]1CN(C(C)C)CCO1 1051082211 VSQBKWACIXERID-JKSUJKDBSA-N 323.437 -0.064 30 20 DBED C=CCN1CCN([C@H]2CCN(C(=O)[C@H]3COC(=O)N3)C2)CC1 1052023344 SEINWFWEGPQUQL-QWHCGFSZSA-N 308.382 -0.501 30 20 DBED C#CCCN1CCN([C@@H]2CCN(C(=O)c3nnn(C)n3)C2)CC1 1052067922 QPTJOTYDKMSWHV-CYBMUJFWSA-N 317.397 -0.935 30 20 DBED C[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1CNC(=O)c1nc[nH]n1 1052980962 JDARQNHCTDYGTK-NXEZZACHSA-N 312.337 -0.031 30 20 DBED CC#CCN1CC2(CC[C@H](CNC(=O)[C@@H]3COCCO3)O2)C1 1053578436 GNAJKXMFWVLBGO-KGLIPLIRSA-N 308.378 -0.225 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@](CO)(NC(=O)C2=COCCO2)C1 1055737857 DDVYLVJRYFZMDF-XHDPSFHLSA-N 323.349 -0.496 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@](CO)(NC(=O)c2cnnn2C)C1 1055918923 QSDZQKPQXWCHTL-IINYFYTJSA-N 320.353 -0.942 30 20 DBED N#Cc1ccc(N2C[C@H]3[C@H](NC(=O)[C@@H]4[C@H]5COC[C@H]54)[C@H]3C2)nn1 1056365625 OVFLXBNPONRLNR-GQHARHJQSA-N 311.345 -0.209 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](N(C)c2ncnc3c2nnn3C)C1 1056871420 KLXZXBZTMDQBEM-NXEZZACHSA-N 314.353 -0.045 30 20 DBED C#CCO[C@H](C)C(=O)NCCN(CCO)C(=O)c1cccn1C 1056988742 UZQVDENCIDMEKT-CYBMUJFWSA-N 321.377 -0.386 30 20 DBED C#CCOCCC(=O)N(CCO)CCNC(=O)Cc1ccco1 1057579567 QDLKRPKQYOWCRH-UHFFFAOYSA-N 322.361 -0.201 30 20 DBED C=CC(C)(C)CC(=O)NCCN(CCO)C(=O)c1cnn[nH]1 1058056875 MUKXTQMRFCLHNM-UHFFFAOYSA-N 309.370 -0.042 30 20 DBED C=CC(C)(C)C(=O)N(CCO)CCNC(=O)[C@H]1CCNC1=O 1058306134 WPJNQSYYWSETGE-NSHDSACASA-N 311.382 -0.728 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCN(CCO)C(=O)[C@H](F)CC 1058380792 OHCAJAVNQXNESE-BXUZGUMPSA-N 304.362 -0.001 30 20 DBED Cn1c(C(=O)N[C@@H]2CCN(c3cncc(C#N)n3)C2)cnc1O 1058507818 OAJJQEWSADLMAA-SECBINFHSA-N 313.321 -0.204 30 20 DBED CN1C(=O)CC[C@H]1C(=O)N[C@H]1CCN(c2cncc(C#N)n2)C1 1058516863 VMSRLEJVNKDBOJ-JQWIXIFHSA-N 314.349 -0.336 30 20 DBED N#Cc1nc(=N[C@H]2CCN(C(=O)c3n[nH]cc3F)C2)cc[nH]1 1059053672 YIQPOCRAOFADQA-QMMMGPOBSA-N 301.285 -0.041 30 20 DBED C=CCOCC(=O)NCC[C@H]1CCN(C(=O)Cn2cncn2)C1 1060424099 FPBBTVZPQAATIF-ZDUSSCGKSA-N 321.381 -0.165 30 20 DBED C#CCCCC(=O)NC[C@H]1COCCN1C(=O)Cn1nccn1 1061538518 PJARFBZOTQIVJL-ZDUSSCGKSA-N 319.365 -0.575 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)c1cnn(C)c1N 1061847252 JVFPGUWQZSZRBS-VHSXEESVSA-N 320.353 -0.881 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)Cc1ccn(C)n1 1061848928 WYUXUSHKCRONID-DGCLKSJQSA-N 319.365 -0.534 30 20 DBED CC(C)C#CC(=O)NCC1(NC(=O)Cn2cnnc2O)CCC1 1062956919 WXICOBYRDIRISH-UHFFFAOYSA-N 319.365 -0.202 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)c2cc(=O)n(C)cn2)CCC1 1064311051 WFSRRRBTTAYQIC-JTQLQIEISA-N 317.349 -0.291 30 20 DBED C=CCCC(=O)N1CCO[C@@H](CNC(=O)c2cc(=O)n(C)o2)C1 1064955786 LJKDQZJSEOQDBI-NSHDSACASA-N 323.349 -0.098 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CN(C(=O)CCc2ncc[nH]2)CCO1 1065101693 VAANFYWWPBMZCF-NWDGAFQWSA-N 319.365 -0.154 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)c2ncn(C)n2)CCO1 1065115484 JBVDEMIGAINEGE-GFCCVEGCSA-N 319.365 -0.424 30 20 DBED CC(C)C#CC(=O)N1CCO[C@H](CNC(=O)Cn2cncn2)C1 1065132356 CWTFQDINZHTWGS-CYBMUJFWSA-N 319.365 -0.719 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)CCO1 1065627238 PTNAOCIYZNERLN-UTUOFQBUSA-N 309.366 -0.582 30 20 DBED C=CCOCCCC(=O)N1CCC[C@@H](NC(=O)C(N)=O)CC1 1066470981 UCCLJUVWZHUXDY-GFCCVEGCSA-N 311.382 -0.048 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CCCN(C(=O)CS(C)(=O)=O)CC1 1066476337 YQEWRCVGHRQPLU-QWRGUYRKSA-N 315.395 -0.312 30 20 DBED C=CCOCC(=O)N1CCC[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)CC1 1066545453 IVFXMBWHYUMGHQ-UPJWGTAASA-N 323.393 -0.192 30 20 DBED N#Cc1nccc(N2C[C@@H](O)[C@@H](CNC(=O)c3cn[nH]c3)C2)n1 1067652141 VWQKMTLQOFFZMW-WDEREUQCSA-N 313.321 -0.702 30 20 DBED N#Cc1cncc(N2C[C@@H]3C(CNC(=O)c4cnon4)[C@H]3C2)n1 1068180307 HALQXDQDSMGPPX-GHMZBOCLSA-N 311.305 -0.157 30 20 DBED COCCC(=O)N1CCOC2(CN(C(=O)C#CC3CC3)C2)C1 1068268700 KCGNQGUWPDNUEU-UHFFFAOYSA-N 306.362 -0.124 30 20 DBED Cn1ncc(C(=O)N[C@H]2C[C@H](CN=c3cc[nH]c(C#N)n3)C2)n1 1068504523 AZNUGCVTOCWWCB-MGCOHNPYSA-N 312.337 -0.481 30 20 DBED CC1(C)CN(C(=O)c2cnn[nH]2)C[C@@H]1N=c1cc[nH]c(C#N)n1 1069630224 BXLQHWHMWVZALJ-JTQLQIEISA-N 312.337 -0.149 30 20 DBED C#CCCN1CCn2ncc(CNC(=O)[C@H]3C[C@H]3C(N)=O)c2C1 1069873940 BNHAWFKTYJPSRM-OLZOCXBDSA-N 315.377 -0.540 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)[C@@H](C)n2cncn2)CC1 1070957723 SHCWBNYXPGRCON-CYBMUJFWSA-N 320.397 -0.324 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)[C@@H]2CO[C@@H](C)C2)CC1 1070976614 KENMHLLNBCPCQM-KBPBESRZSA-N 307.394 -0.305 30 20 DBED COCCC(=O)N1CCC(O)(CNC(=O)C#CC2CC2)CC1 1074378374 NCRCMWQYWAUURJ-UHFFFAOYSA-N 308.378 -0.094 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CCN(C(=O)C2CC2)CC1 1074398587 CAVXTWIWJXTUNI-GFCCVEGCSA-N 308.378 -0.096 30 20 DBED C=CCCOCC(=O)N1CC[C@@H](NC(=O)CC(N)=O)C[C@H]1C 1074905060 PMRBMTGGLWDEKY-VXGBXAGGSA-N 311.382 -0.050 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC[C@H](C)NC(=O)CNC(=O)CC 1076300649 PWKXEPJYDPADCL-XHDPSFHLSA-N 313.398 -0.149 30 20 DBED C#CCOCCC(=O)N[C@@H](C)CCNC(=O)c1ncn(C)n1 1076374764 BLMRHFBUTCXDRH-NSHDSACASA-N 307.354 -0.520 30 20 DBED C=CCCN1C[C@@H]2CCN(C(=O)[C@@H]3CCS(=O)(=O)N3)[C@@H]2C1 1076582516 ZUXRQSSTJJWQTC-RWMBFGLXSA-N 313.423 -0.213 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)c2nnn(C(C)C)c2C)C1 1077907048 VHVFZFUXYNTUNZ-CHWSQXEVSA-N 305.382 -0.034 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cnccn2)C1 1081205087 OTCVIEADQNMXAK-OCCSQVGLSA-N 316.361 -0.171 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@H](CNC(=O)Cn2cccn2)C1 1081253399 GFLRXPLCIMXCAN-KGLIPLIRSA-N 318.377 -0.378 30 20 DBED C=C(C)CCC(=O)NC[C@H]1CN(C(=O)Cn2cncn2)C[C@@H]1O 1081532769 BDKPAIWOIHNPNQ-STQMWFEESA-N 321.381 -0.430 30 20 DBED CC(C)N(C)CC(=O)NC[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 1081550355 HOSXERBAGWZGKN-CABCVRRESA-N 321.421 -0.325 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2n[nH]cc2F)C1 1081745279 ZFPQDKVKSKBYLZ-PWSUYJOCSA-N 322.340 -0.099 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cnc2nccn2c1 1083143265 ZIPWLDANSGWMMY-QWHCGFSZSA-N 312.333 -0.222 30 20 DBED CC[C@@H]1CCCN1C(=O)C(=O)N1CCO[C@@H]2CN(CC#N)C[C@@H]21 1083243034 JQYVNPFPTWTRFA-HZSPNIEDSA-N 320.393 -0.177 30 20 DBED CC(C)CN1C[C@H](C(=O)N[C@@H]2CN(CC#N)C[C@@H]2O)CC1=O 1083504061 NNQVPLFKYXWDFP-UPJWGTAASA-N 308.382 -0.824 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)Cn2cc(C3CC3)nn2)C1 1083522460 IMXKNUPFYAYKDT-KGLIPLIRSA-N 303.366 -0.660 30 20 DBED Cc1cccn2cc(CC(=O)N[C@@H]3CN(CC#N)C[C@@H]3O)nc12 1083862429 GEWUMCIYPPYTFC-KGLIPLIRSA-N 313.361 -0.130 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CCN(CC(=O)N3CCOCC3)C[C@H]21 1084236925 VJVGXAFTULGEBL-MGPQQGTHSA-N 320.393 -0.462 30 20 DBED C=CCN1CC[C@H](N2CC[C@H]2CN(C)C(=O)c2nc[nH]n2)C1=O 1085881470 GHKOMNKMUAMBHX-RYUDHWBXSA-N 318.381 -0.262 30 20 DBED C#CCN1C[C@H]2CC[C@H]1[C@@H]1CN(C(=O)Cn3ncnn3)C[C@@H]21 1087358241 DBMAKFQKPDZGSW-RQJABVFESA-N 300.366 -0.525 30 20 DBED CC(C)(C)n1nnc(C(=O)N[C@H]2CCN(CC#N)C[C@@H]2O)n1 1090278968 INJVYAVXMAQFIP-UWVGGRQHSA-N 307.358 -0.883 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2ccnn2CCOC)[C@H](O)C1 1090349159 IWQYIIAYPHPGFO-TZMCWYRMSA-N 306.366 -0.672 30 20 DBED C=CCN1CC[C@@H](NC(=O)c2cn3c(n2)COCC3)[C@@H](O)C1 1090360657 LQRCJHDCVBMNEK-YPMHNXCESA-N 306.366 -0.236 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2cccc(C(N)=O)c2)[C@@H](O)C1 1090365221 OKRSVVZFNKYLES-OLZOCXBDSA-N 302.334 -0.526 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2cnn3c2OCCC3)[C@@H](O)C1 1090396273 IHPHYEMYBQNZTJ-OLZOCXBDSA-N 304.350 -0.536 30 20 DBED C#CCN1CC[C@H](NC(=O)Cn2nnc3c2CCCC3)[C@H](O)C1 1090573347 LXDUSUNFVOMDQB-DZGCQCFKSA-N 317.393 -0.659 30 20 DBED C=CCCN1CC[C@H](NC(=O)c2ccc(C(N)=O)[nH]2)[C@H](O)C1 1090574374 RWVGHLWADCFYJZ-GXFFZTMASA-N 306.366 -0.145 30 20 DBED C#CCN1CC[C@H](NC(=O)C(C)(C)c2cnn(C)c2)[C@H](O)C1 1090686244 NBNGVERACISWTF-UONOGXRCSA-N 304.394 -0.118 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CN(c2nccn3nnnc23)C[C@H]1C 1090687998 QOPBVFNBQVDGLF-OPRDCNLKSA-N 300.326 -0.380 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2ccc(N(C)C)nn2)[C@H](O)C1 1090734270 JXWKIBPNCBTCCH-TZMCWYRMSA-N 317.393 -0.269 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@@H]2CN(c3nccnc3F)C[C@@H]12 1093265643 JMPOLOATGCFNRO-NXEZZACHSA-N 317.324 -0.694 30 20 DBED N#Cc1cnc(NCCNC(=O)[C@H]2CCNC(=O)CC2)cn1 1094024249 WTBPTEAWEKSWCI-SNVBAGLBSA-N 302.338 -0.207 30 20 DBED C[C@H](C(=O)NCCN=c1cc[nH]cc1C#N)[C@@H]1CCC(=O)N1 1094133278 LTLNSTAMVZBJBF-JQWIXIFHSA-N 301.350 -0.182 30 20 DBED C[C@H](C(=O)NCCNc1ccc(C#N)nn1)N1C(=O)CCC1=O 1094201659 LBNLGIFXQFAWDX-SECBINFHSA-N 316.321 -0.586 30 20 DBED N#Cc1ccc(NCCCNC(=O)C[C@@H]2CCC(=O)N2)nn1 1094494387 MQWFCMYIZBHFNV-JTQLQIEISA-N 302.338 -0.065 30 20 DBED COc1nc(C(=O)NCCCN=c2cc[nH]c(C#N)n2)co1 1094685768 UMYRVYKZKPMMAN-UHFFFAOYSA-N 302.294 -0.001 30 20 DBED C=CCCN1CC(N2C[C@H](NC(=O)[C@H]3COCCO3)CC2=O)C1 1094710383 SUAVZQUFTXJPQA-TZMCWYRMSA-N 323.393 -0.621 30 20 DBED CCC(=O)NCC(=O)N1CC[C@H](N(C)c2nccnc2C#N)C1 1095100416 WAFVPEMQZIEOFM-NSHDSACASA-N 316.365 -0.088 30 20 DBED N#Cc1cccnc1N1CCC[C@H](NC(=O)CNC(N)=O)C1 1096136305 HJAZUGNPNRJPRT-NSHDSACASA-N 302.338 -0.293 30 20 DBED N#Cc1cncc(N2CC[C@H](NC(=O)CNC(=O)C3CC3)C2)n1 1096320826 KJFHWGXOKLOLOU-NSHDSACASA-N 314.349 -0.431 30 20 DBED CC(=O)N(C)CC(=O)N[C@H]1CCN(c2ccc(C#N)nn2)C1 1096328786 JDLZTGVZYKOPHN-LBPRGKRZSA-N 302.338 -0.479 30 20 DBED N#Cc1ccc(N[C@@H](CNC(=O)CNC(N)=O)C2CC2)nn1 1096565279 IBOSANGJCNVYHE-JTQLQIEISA-N 303.326 -0.677 30 20 DBED C[C@H](NC(N)=O)C(=O)NC[C@H](N=c1cc[nH]cc1C#N)C1CC1 1096655648 CVWWGXYQVOZZFT-ZANVPECISA-N 316.365 -0.261 30 20 DBED C=CCCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1CCNC(=O)C1 1097643010 UGEOXIPLFZLVRN-MCIONIFRSA-N 306.410 -0.284 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CCN(C)C1=O)Nc1nccnc1C#N 1098193576 GOIJNRPRHASEEJ-UWVGGRQHSA-N 302.338 -0.257 30 20 DBED C=CCCCN(CCO)C1CCN(C(=O)Cn2ncnn2)CC1 1098367604 HTQLJDNKBQXHCN-UHFFFAOYSA-N 322.413 -0.075 30 20 DBED N#CCNCc1cn([C@H]2CCN(C(=O)Cc3ncc[nH]3)C2)nn1 1098757696 RMACMZRJPFXJSA-LBPRGKRZSA-N 314.353 -0.370 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CCN(CC(=O)NCC(C)C)C[C@H]1O 1099821752 XROBFGTULXWMHO-HUUCEWRRSA-N 323.437 -0.031 30 20 DBED N#Cc1ccc(N2CCC[C@H]2CCCNC(=O)C(N)=O)nn1 1099875698 JYLBKHYZWWZVBN-LLVKDONJSA-N 302.338 -0.301 30 20 DBED CN(CCC(=O)N[C@@H]1CCN(CC#N)C[C@H]1O)c1ccncc1 1099899015 LLBVSCOHJTURCA-HUUCEWRRSA-N 317.393 -0.017 30 20 DBED CC1(C(=O)N[C@H]2CCN(CC(=O)NCC#N)C[C@H]2O)CCCC1 1099935457 OBIQSQBOYANNLC-QWHCGFSZSA-N 322.409 -0.242 30 20 DBED CC(C)=C(C)CC(=O)N[C@H]1CCN(CC(=O)NCC#N)C[C@@H]1O 1099949100 MATJTXLPEFPCHD-KBPBESRZSA-N 322.409 -0.076 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)[C@@H]2C[C@@H]3C[C@@H]3C2)[C@@H](O)C1 1099952503 URUVFTMMESPLAV-QRTUWBSPSA-N 319.405 -0.667 30 20 DBED Cc1c(C(=O)NCCN(C)c2ccnc(C#N)n2)nnn1C 1099974431 GNQZMUNXUGLDBW-UHFFFAOYSA-N 300.326 -0.349 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2cnn(CCCOC)c2)[C@@H](O)C1 1100069750 MXQWWSDYFMHCCQ-CABCVRRESA-N 320.393 -0.282 30 20 DBED C#CCN1CC[C@@H](NC(=O)CNC(=O)c2ccsc2)[C@@H](O)C1 1100120052 UEIBOJKSKRTGCK-OLZOCXBDSA-N 321.402 -0.338 30 20 DBED CN(CCNC(=O)[C@@H]1CCNC(=O)CC1)c1cncc(C#N)n1 1100237390 GYVFTUZAYDUUFT-NSHDSACASA-N 316.365 -0.183 30 20 DBED Cc1cc(C#N)nc(N(C)CCNC(=O)[C@@H]2CCC(=O)N2C)n1 1100264665 XOXSHOGDIWRWKS-LBPRGKRZSA-N 316.365 -0.170 30 20 DBED CN(CCNC(=O)[C@@H]1CC[C@@H]1C(N)=O)c1nccnc1C#N 1100268635 DWJMSATYTTVDSW-VHSXEESVSA-N 302.338 -0.588 30 20 DBED CC(C)C#CC(=O)NCC1CC(NCC(=O)N2CCOCC2)C1 1100309145 JMQBRFZAKRKBOT-UHFFFAOYSA-N 321.421 -0.011 30 20 DBED N#CCNC1CC(CNC(=O)CCCn2c(O)nnc2O)C1 1100464072 ZQGIBECILCGEFA-UHFFFAOYSA-N 308.342 -0.523 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H]1CCN(c2nc(C)ns2)C1 1100974095 OEDOWPDMYJISQA-LLVKDONJSA-N 321.406 -0.071 30 20 DBED CCC(=O)NCC(=O)N[C@H]1CC2(CN(CC#N)C2)n2ccnc21 1101616394 ABWOTKDVBOZNAS-NSHDSACASA-N 316.365 -0.495 30 20 DBED C=C(C)CN1C[C@@H](C)[C@H](CNC(=O)CS(=O)(=O)NC)C1 1102582646 QNRLMJAIZYNZLQ-VXGBXAGGSA-N 303.428 -0.204 30 20 DBED C#CCNCc1cn(C2CN(C(=O)[C@@H](C)NC(=O)CC)C2)nn1 1105246619 FDKDLPTYSITPDX-LLVKDONJSA-N 318.381 -0.701 30 20 DBED C=CCOCC(=O)NC[C@@H](O)CNc1nc(C)cc(OC)n1 1105748263 SNTQETMWJKTIMX-LLVKDONJSA-N 310.354 -0.115 30 20 DBED C=CCO[C@@H](C)C(=O)NC[C@@H](O)CNc1nccnc1C#N 1105891302 ALRCYQVNTMDIQU-QWRGUYRKSA-N 305.338 -0.172 30 20 DBED Cc1nc(C(=O)NC[C@@H](O)CN=c2cc[nH]c(C#N)n2)c(C)o1 1105942461 CPOOKKXQAGNFSU-JTQLQIEISA-N 316.321 -0.422 30 20 DBED C[C@@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)CCc1nc[nH]n1 1106260176 LAGXLVFMZZUANK-JTQLQIEISA-N 314.353 -0.172 30 20 DBED C[C@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)C[C@@H]1CCNC1=O 1106464900 IQFKMGSHOUNHMX-MNOVXSKESA-N 316.365 -0.397 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)c2nc(C)c[nH]2)C[C@H]1C 1106748594 FXATWQVCTWUQJV-DGCLKSJQSA-N 317.393 -0.235 30 20 DBED N#Cc1cncc(NC/C=C/CNC(=O)[C@@H]2COCCO2)n1 1107050853 MCRYILBRWAXLBY-ISUDXETCSA-N 303.322 -0.152 30 20 DBED C[C@@H]1CCN(CC(=O)NCc2cn(C3CN(CC#N)C3)nn2)C1 1107210847 GFVZWEYKYINEHC-GFCCVEGCSA-N 317.397 -0.384 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1 1107951149 HYTNURDWRQHOJR-XJKCOSOUSA-N 307.394 -0.259 30 20 DBED C#CCCN1CCO[C@](C)(CNC(=O)[C@H]2CN(C)C(=O)N2)C1 1108120147 WPDWKGKLFDKRCY-IUODEOHRSA-N 308.382 -0.760 30 20 DBED C[C@@H](CNc1ccc(C#N)nc1)NC(=O)Cn1c(O)nnc1O 1108466361 VKICOFQKIGCAGA-QMMMGPOBSA-N 317.309 -0.427 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)CCc1cnn[nH]1 1108708118 ZGYNTGPXECJXIB-VIFPVBQESA-N 300.326 -0.562 30 20 DBED C[C@@H](CN(C)c1ccnc(C#N)n1)NC(=O)[C@@H]1CCC(=O)N1 1109027445 OSAAWJAHGASZLG-UWVGGRQHSA-N 302.338 -0.432 30 20 DBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cc1cc[nH]n1 1109103826 UFTDUHIWDOPMMQ-RDBSUJKOSA-N 317.393 -0.024 30 20 DBED CNC(=O)C1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC#CCOC)CC1 1109840170 JPTOHSAJWKKDGZ-RDBSUJKOSA-N 319.405 -0.116 30 20 DBED C=CCOCC(=O)NCC1(Nc2ccc3nnnn3n2)CC1 1110079117 QLNCWNMAQHRTRK-UHFFFAOYSA-N 303.326 -0.217 30 20 DBED Cc1n[nH]cc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1110879049 AIWLOTZMVKCKRI-RTXFEEFZSA-N 316.365 -0.307 30 20 DBED C[C@@H](Nc1cncc(C#N)n1)[C@H]1CCN(C(=O)CNC(N)=O)C1 1111204894 DABOUJPCPWDZID-ZJUUUORDSA-N 317.353 -0.335 30 20 DBED C[C@@H](CC(N)=O)C(=O)N(CCO)CCNc1ccc(C#N)nn1 1111535830 YRCHUTVZALGLEF-JTQLQIEISA-N 320.353 -0.907 30 20 DBED CNC(=O)CC(=O)N[C@H]1CCN(c2cncc(C#N)n2)[C@@H](C)C1 1112469154 HHPDOROYFKGRBX-QWRGUYRKSA-N 316.365 -0.042 30 20 DBED COCC(=O)NC[C@H]1CN(c2cc(C)ncc2C#N)C[C@@H]1O 1112692766 RMBKHEXCZGCXQR-JSGCOSHPSA-N 304.350 -0.179 30 20 DBED CC(=O)NCC(=O)NC[C@H]1CN(c2ccc(C#N)cn2)C[C@@H]1O 1112695422 USQHAUFBJPSVQW-STQMWFEESA-N 317.349 -0.997 30 20 DBED CC(=O)NCC(=O)N1CCC[C@@H]1CN(C)c1ccc(C#N)nn1 1112778469 MLJKIDRIEYJMFC-CYBMUJFWSA-N 316.365 -0.088 30 20 DBED C=CCOCCN1CCN(C(=O)C2CS(=O)(=O)C2)CC1 1112880887 SDIIHVRKIXPDDW-UHFFFAOYSA-N 302.396 -0.622 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)C(=O)NCC2CC2)CC1 1113471781 NLNINUAOPWWTMO-GFCCVEGCSA-N 322.409 -0.653 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)CCCC(C)=O)[C@H]2C1 1113863885 CLBXLPATLOEQSZ-IHRRRGAJSA-N 319.405 -0.070 30 20 DBED Cc1cccc(C(=O)NC2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]23)n1 1113871367 TWLOEWXMEFORCL-VXGBXAGGSA-N 313.361 -0.310 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)COCC3CC3)[C@H]2C1 1113924757 JIAVHNXNYGKVLF-YYWXWVFPSA-N 319.405 -0.403 30 20 DBED Cc1cc(C(=O)N[C@H]2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]32)c(C)[nH]1 1114889013 SAAZVHOCCHHXCF-NHAGDIPZSA-N 315.377 -0.069 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)c3cnc(OC)nc3)[C@H]2C1 1115063663 SUVBVMLKZSMKKB-WDNDVIMCSA-N 316.361 -0.205 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N[C@@H]2CCN(C3CC3)C2)nn1 1118111012 PKUKRJJDGMAWNW-LLVKDONJSA-N 318.381 -0.567 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)C(=O)N2CC[C@H](CCCO)C2)C1 1118250797 XKKGLIOIBMKOPT-SWLSCSKDSA-N 309.366 -0.516 30 20 DBED N#Cc1cnc(N[C@H](CO)CNC(=O)Cc2ncc[nH]2)c(F)c1 1121977359 OYRKALPVLLXVHW-JTQLQIEISA-N 318.312 -0.053 30 20 DBED Cc1nsc(N[C@H](CO)CNC(=O)Cn2nccn2)c1C#N 1122098010 JCPLNFLJPNEJFE-VIFPVBQESA-N 321.366 -0.496 30 20 DBED N#Cc1cnc(N[C@H](CO)CNC(=O)COCC(F)F)cn1 1122256206 TVAMOJAKXGWPQT-VIFPVBQESA-N 315.280 -0.481 30 20 DBED N#Cc1nc(=N[C@H](CO)CNC(=O)[C@H](F)C(F)(F)F)cc[nH]1 1122761329 QKPZUIKWQYBFOK-RCOVLWMOSA-N 321.234 -0.440 30 20 DBED CN(C[C@@H](O)CNc1cnc(C#N)cn1)C(=O)c1ccnnc1 1124754524 QMBHCBWQHPUZOW-LBPRGKRZSA-N 313.321 -0.317 30 20 DBED C=CCOCC(=O)NCCNC[C@@H]1CCCS(=O)(=O)C1 1124767310 BRQZGIRZAVLKNB-LBPRGKRZSA-N 304.412 -0.280 30 20 DBED C#CCCCCC(=O)NCCNC[C@H](O)COCCOC 1125938797 KMRISIZJERMGRL-AWEZNQCLSA-N 300.399 -0.090 30 20 DBED C=CCOCC(=O)NCc1cnn2c1CN([C@H](C)C(N)=O)CC2 1128259797 UCLUUAPBNKRJFO-LLVKDONJSA-N 321.381 -0.609 30 20 DBED CC(C)(C)C#CC(=O)N[C@@H]1CN(CCO)C[C@@H]1n1ccnn1 1128980197 RCHPYWMPCNKKIJ-OLZOCXBDSA-N 305.382 -0.339 30 20 DBED CNC(=O)CCCC(=O)N1CCC(=O)NCCN(CC#N)CC1 1131357317 PNJLATWCYMAQSX-UHFFFAOYSA-N 323.397 -0.923 30 20 DBED C=C(C)CCC(=O)N1CCC(=O)NCCN(CC(N)=O)CC1 1131364518 RKVFVWFQPPXIIN-UHFFFAOYSA-N 310.398 -0.522 30 20 DBED C=CCCN1CCNC(=O)CCN(C(=O)CCCC(N)=O)CC1 1131399762 ZGRJUNBAFWWQKS-UHFFFAOYSA-N 324.425 -0.131 30 20 DBED CC(C)n1ccc(CC(=O)NCCNCC(=O)NCC#N)n1 1131571374 NWDNGVGHORIVME-UHFFFAOYSA-N 306.370 -0.648 30 20 DBED C=CCC1(C(=O)NCCNCCNS(C)(=O)=O)CCC1 1133395536 OTHBGYLUSGINAU-UHFFFAOYSA-N 303.428 -0.012 30 20 DBED C#CCOCCC(=O)N1CC2(CCN(CC(=O)NCC)C2)C1 1147534340 DCBFJWKFVRSLPH-UHFFFAOYSA-N 307.394 -0.303 30 20 DBED C#CCCN1CCCO[C@H](CNC(=O)CCNC(=O)NC)C1 1149682314 VQKLSTJYNZUSSX-CYBMUJFWSA-N 310.398 -0.464 30 20 DBED Cn1nccc1COCC(=O)NC[C@@H]1CN(CC#N)CCCO1 1149881328 KWNRHOLHLBBERA-CQSZACIVSA-N 321.381 -0.333 30 20 DBED C#CCN(C)C[C@H]1CCCCN1C(=O)CN1CC(=O)N(C)C1=O 1158749849 BYJLXIYXINELHD-CYBMUJFWSA-N 320.393 -0.174 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@H]1Cc2ccccc2O1 1162058494 GVLKPSHOGQZWPT-OAHLLOKOSA-N 315.373 -0.165 30 20 DBED C=CCn1cc(C(=O)NCCCNCc2nc(O)n[nH]2)nn1 1167838349 DPJXLQKBTUOCIZ-UHFFFAOYSA-N 306.330 -0.803 30 20 DBED C=CCCn1cc(C(=O)NCCCNCc2ncnn2C)nn1 1167992253 UVGUMDOLRRBHMB-UHFFFAOYSA-N 318.385 -0.108 30 20 DBED C[C@@H](CCCCNCC#N)NC(=O)CCn1cc[nH]c(=O)c1=O 1175719115 DXWVSRMBRGCCSZ-LBPRGKRZSA-N 321.381 -0.285 30 20 DBED CC(C)(C)C#CC(=O)N1CC[C@@H]2OCCN(CC(N)=O)[C@@H]2C1 1177004701 BCINAJGBVHNFDD-OLZOCXBDSA-N 307.394 -0.177 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](NCc2cnnn2C)[C@@H]1C 1178508450 DXDOQQMXZIWBJL-AAEUAGOBSA-N 318.381 -0.966 30 20 DBED C#CCOCCC(=O)N1CC[C@H](NCC(=O)NC(=O)NC)[C@@H]1C 1178681357 BQUSNXUOBVMEOZ-RYUDHWBXSA-N 324.381 -0.939 30 20 DBED CCN1CCO[C@@H](C(=O)N2CC[C@H](NCC#CCOC)[C@@H]2C)C1 1180182691 KRLSWAIPTDRVRE-HRCADAONSA-N 323.437 -0.064 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)Cc2ccon2)C1 1181770139 VWFUBYATHUKIJQ-WCQYABFASA-N 304.350 -0.455 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC[C@@H](NCCN2C(=O)CNC2=O)C1 1182205045 ZPUYJYONSTYPMF-ABAIWWIYSA-N 324.381 -0.944 30 20 DBED C=CCOCC(=O)N1CC[C@H](CNCC(=O)NCC#N)[C@H](C)C1 1184089169 OCQVIGJGEUVMKZ-ZIAGYGMSSA-N 322.409 -0.097 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)Cn2cncc2C)C1 1184311097 YSEZXNZJZLAISC-UONOGXRCSA-N 317.393 -0.480 30 20 DBED C#Cc1cncc(C(=O)N2CC[C@@H](NCC(=O)N(C)C)C2)c1 1185558326 WAHQNTPTUVEUQO-CQSZACIVSA-N 300.362 -0.045 30 20 DBED C=CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3ncn(C)n3)[C@@H]2C1 1187763114 JAAAUMFOYKBORE-NWDGAFQWSA-N 318.381 -0.736 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@H]1CCN(C(=O)CN(C)C(C)=O)C1 1188974643 SKJDIMWAACKVFQ-JSGCOSHPSA-N 322.409 -0.865 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](N(C)CC(=O)NC2CCOCC2)C1 1189390706 TYFLOWGSXPRNQB-TZMCWYRMSA-N 322.409 -0.026 30 20 DBED N#CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3nccs3)[C@@H]2C1 1189507405 ZODIWDHLGLXIAO-WDEREUQCSA-N 319.390 -0.071 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](N(C)CCC[C@H](C)O)C1 1189759690 BRIOWBBPOSKYGT-UONOGXRCSA-N 309.410 -0.180 30 20 DBED CCC(=O)N[C@H](C)C(=O)N1CC[C@@H](N(C)CC(=O)NCC#N)C1 1190309578 YVCYXNGWEOVZNU-VXGBXAGGSA-N 323.397 -0.926 30 20 DBED C=CCCN(C)[C@@H]1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)C1 1190484725 WYISODHQMZDYMN-CYBMUJFWSA-N 320.393 -0.344 30 20 DBED C=CCNC(=O)CN1C[C@@H]2CCN(C(=O)CCCC(N)=O)[C@@H]2C1 1190508319 CNRVTHBZUPZSFG-QWHCGFSZSA-N 322.409 -0.523 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C[C@H](C)SC)C1 1192306754 PTHJYJUTQVLPDQ-QJPTWQEYSA-N 315.439 -0.409 30 20 DBED Cc1nn(C)cc1CN1C[C@@H](O)[C@H](NC(=O)C#CC2CC2)C1 1192771063 ZPXLURMHTJVMJQ-HUUCEWRRSA-N 302.378 -0.197 30 20 DBED CCn1cc(C(=O)N2CC[C@H](N(C)CC(=O)NCC#N)C2)nn1 1193124379 VFGILUHOCCVBLE-NSHDSACASA-N 319.369 -0.916 30 20 DBED CC1(CCC(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@H]2O)CC1 1197450156 KKIWHJZGRUBUOY-VXGBXAGGSA-N 308.382 -0.632 30 20 DBED C[C@H]1OCC[C@@H]1C(=O)N1CCCN(CC(=O)NCC#N)CC1 1197554508 JBGBCRKBWYPNKT-OLZOCXBDSA-N 308.382 -0.415 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@H](C)CN2CCOCC2)C1 1198699655 VTVWWHNRDZFKEG-RBSFLKMASA-N 309.410 -0.861 30 20 DBED CCn1cc(C(=O)N2CCC(NCC(=O)NCC#N)CC2)cn1 1199877434 JDOSLEPMIPHCER-UHFFFAOYSA-N 318.381 -0.263 30 20 DBED C[C@H](NC[C@@H]1CN(C(=O)CSCC#N)CCCO1)C(N)=O 1199913122 JCBMXQBFBPTHON-WDEREUQCSA-N 314.411 -0.676 30 20 DBED Cn1ccc(C(=O)N2CCCO[C@H](CNCC#N)C2)cc1=O 1200823058 BWACCIDJMVXUDK-CYBMUJFWSA-N 304.350 -0.270 30 20 DBED C#CCNC[C@H]1CN(C(=O)[C@@H]2CCCN(C(N)=O)C2)CCCO1 1200911250 LWZGYSGJROCVLX-KGLIPLIRSA-N 322.409 -0.383 30 20 DBED CC#CCNC[C@H]1CN(C(=O)C[C@@H]2CC(=O)NC2=O)CCCO1 1202251683 UAHOENIMHUKKBU-STQMWFEESA-N 321.377 -0.730 30 20 DBED C#CCNC(=O)CN[C@H]1C[C@H](NC(=O)c2cc[nH]n2)C12CCC2 1202472224 WFFMYOUKELOHNR-STQMWFEESA-N 315.377 -0.210 30 20 DBED C[C@@]1(C(=O)N2CCC(NCC(=O)NCC#N)CC2)CCOC1 1203052594 POUOSDAOPDIKJH-OAHLLOKOSA-N 308.382 -0.367 30 20 DBED COCC#CCN[C@@H]1C[C@H](NC(=O)Cn2cncn2)C12CCC2 1203695324 RAIUJNPYIKWOAG-KGLIPLIRSA-N 317.393 -0.055 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)c2nonc2C)CC1 1206972233 ZADKHTIFRZQCQK-UHFFFAOYSA-N 319.365 -0.431 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCCN(C(=O)CC(C)(C)O)C1 1207924870 SQFAKSNJRSXQES-OLZOCXBDSA-N 309.410 -0.134 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)Cc2cnc[nH]2)[C@H](C)C1 1208913583 OPUPYAHCGQYENC-DGCLKSJQSA-N 305.382 -0.309 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H]1CCCN(C(=O)Cc2cnoc2)C1 1209212267 AAHZZVWBYJMEIS-JSGCOSHPSA-N 318.377 -0.064 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)C=C2CCC2)[C@H](OC)C1 1212100208 FZWYNKACMMFUTI-ZIAGYGMSSA-N 305.378 -0.339 30 20 DBED C[C@@H]1CN(C(=O)C2(C)CCOCC2)C[C@H]1NCC(=O)NCC#N 1215940088 MVTHQKZGHVRCKQ-CHWSQXEVSA-N 322.409 -0.121 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CCCO1 1217230467 IQRVTBHCINLILX-BFHYXJOUSA-N 323.393 -0.621 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(Cc2cnsn2)C[C@@H]1O 1219527275 LBWOQPSRGCRNSW-NTZNESFSSA-N 312.395 -0.474 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(C[C@@H]2CCCOC2)C[C@@H]1O 1219613992 XHRIILWZCPYGKI-ZNMIVQPWSA-N 310.394 -0.386 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)c2cc[nH]c2)C1 1219670727 YWUWEMXESIGWRX-UHTWSYAYSA-N 306.366 -0.520 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2onc(C)c2C)C1 1219855095 LUDXFDRFBZPMLY-NEPJUHHUSA-N 322.365 -0.631 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@@H](C)NC(=O)c2cccs2)C1 1220102000 JLBSXPMGNKSPOP-UTUOFQBUSA-N 321.402 -0.339 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)C1 1220112274 BCGOBRHXSKHUJR-XQQFMLRXSA-N 309.410 -0.278 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@H](CC(=C)C)NC(C)=O)C1 1220493220 KXMDHMQBFREPHN-ZNMIVQPWSA-N 307.394 -0.358 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H]2CCN(CCC[C@H](C)O)C[C@H]21 1221491635 SFAYPHDUELKMHR-RRFJBIMHSA-N 321.421 -0.180 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)Cn2cc(C)cn2)CC1 1226310590 YKXYCQKHAASSAG-UHFFFAOYSA-N 317.393 -0.478 30 20 DBED CCOCCNC(=O)CN1CCC(NC(=O)[C@H](C)C#N)CC1 1226617853 PZKPXDNBXBVRFA-GFCCVEGCSA-N 310.398 -0.121 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)[C@@H]2C[C@]23CCOC3)CC1 1229927465 UCYZIFBDMUZZDH-YOEHRIQHSA-N 319.405 -0.257 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)C[C@H]1CCCO1 1230865724 HUPXSVGRGQNGOX-ZIAGYGMSSA-N 307.394 -0.162 30 20 DBED N#CCNC(=O)CNC(=O)N1CCC(O[C@H]2CCOC2)CC1 1261295524 BCYZFGZAJKUTCH-LBPRGKRZSA-N 310.354 -0.394 30 20 DBED C=CCN(C(=O)C(=O)NCCS(C)(=O)=O)[C@@H](C)COC 1261685629 PSRYAAOWZIBONR-JTQLQIEISA-N 306.384 -0.803 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N1CCC(NC(C)=O)CC1 1320133718 XCJYAEMIXZTCCJ-UHFFFAOYSA-N 317.411 -0.103 30 20 DBED C#CCC[C@@H](O)CNC(=O)C(=O)N=c1ccnc2n(C)[nH]cc1-2 1322979496 JVHHJRAWCAFCQE-SNVBAGLBSA-N 315.333 -0.829 30 20 DBED COCCO[C@H]1COCC[C@H]1NC(=O)C(=O)NCCCC#N 1323341810 BUZNYXIQTYHHEK-NEPJUHHUSA-N 313.354 -0.657 30 20 DBED C=CCS(=O)(=O)CCNC(=O)N1CCn2cnnc2[C@H]1C 1324496048 LZJLGVNCYWCLEH-SNVBAGLBSA-N 313.383 -0.035 30 20 DBED COC(=O)CN(CC#N)C(=O)c1cn(CC2(C)COC2)nn1 1325389201 FWORROBPNGCPLO-UHFFFAOYSA-N 307.310 -0.547 30 20 DBED N#CCN1CCC(NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 1325840157 JGJYPYOASUYQNJ-CYBMUJFWSA-N 308.342 -0.270 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)C(=O)NCCCOCC2CC2)C1 1326091719 FXCSMECRGNPBMM-OAHLLOKOSA-N 309.366 -0.204 30 20 DBED N#CCCCNC(=O)C(=O)NC1CCN([C@@H]2CCC[C@H]2O)CC1 1327121908 LCHBSOXIHGOARA-ZIAGYGMSSA-N 322.409 -0.100 30 20 DBED N#CC[C@H]1CCCN(C(=O)C(=O)NCc2nnnn2C2CC2)C1 1328109418 BLCVWAOSXZUHHC-SNVBAGLBSA-N 317.353 -0.224 30 20 DBED Cc1cc(C(=O)NCC(=O)NCC#N)n(C2CCOCC2)n1 1328965288 HCPKKTUBJHDMNB-UHFFFAOYSA-N 305.338 -0.087 30 20 DBED Cc1cccnc1C(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1 1341784535 GEHMOIMIANJGRB-LLVKDONJSA-N 321.358 -0.031 30 20 DBED CC#CCCNC(=O)C(=O)NC[C@@H]1CCCCS1(=O)=O 1343324437 UQRKZHWSXFUJAB-NSHDSACASA-N 300.380 -0.401 30 20 DBED CCC(O)(CC)CNC(=O)CCn1cc(C#N)c(O)nc1=O 1361972142 UAGYGAHMTUXLIU-UHFFFAOYSA-N 308.338 -0.122 30 20 DBED N#Cc1cn(CCC(=O)N2CCCc3n[nH]cc32)c(=O)nc1O 1362599914 LSXFPAGIRRFIQI-UHFFFAOYSA-N 314.305 -0.087 30 20 DBED N#C[C@H]1CN(S(=O)(=O)NCc2nccnc2Cl)CCO1 1363983281 UNEOCYHSZRYZTM-QMMMGPOBSA-N 317.758 -0.311 30 20 DBED C[C@@H](C#N)C(=O)NC1CN(C(=O)CCC(=O)N2CCOCC2)C1 1374748531 CXAQQBARPGJJPH-NSHDSACASA-N 322.365 -0.888 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CCN(C(=O)c2c[nH]c(C(N)=O)c2)C1 1385842056 QOTIQCOIXQISFX-WPRPVWTQSA-N 303.322 -0.396 30 20 DBED C[C@H](CNC(=O)[C@H](C)C#N)NC(=O)CNC(=O)c1ccncc1 1387081404 AKNHJEXHCLVZCO-GHMZBOCLSA-N 317.349 -0.408 30 20 DBED N#Cc1cc(C(=O)NC2(CNC(=O)[C@H]3COC(=O)N3)CC2)c[nH]1 1393625448 GOBVCFWBJNUUJE-SNVBAGLBSA-N 317.305 -0.627 30 20 DBED N#Cc1cccc([C@@H]2CN(C(=O)[C@@H](CO)NC(N)=O)CCO2)c1 1412008359 QAHBYRFYYPLGCI-OLZOCXBDSA-N 318.333 -0.513 30 20 DBED COC(=O)C1(C#N)CCN(C(=O)NCCn2cncn2)CC1 1413725819 AVQDEGWYZMDBQG-UHFFFAOYSA-N 306.326 -0.234 30 20 DBED CNC(=O)[C@@H](NC(=O)CN1CC(O)(CC#N)C1)c1ccccc1 1421724802 FFDLGQXAYWFUPV-AWEZNQCLSA-N 316.361 -0.450 30 20 DBED COCCN(CCNC(=O)[C@H]1CCC(=O)NC1)C(=O)[C@H](C)C#N 1428411385 MZQAZTTWNMEPPZ-NEPJUHHUSA-N 324.381 -0.737 30 20 DBED C[C@H](C#N)C(=O)NCCN(C)C(=O)c1ccc(C(N)=O)cn1 1431477322 BKKUXBQJNAMIHO-SECBINFHSA-N 303.322 -0.472 30 20 DBED CCN(CCNC(=O)[C@H](C)C#N)C(=O)c1cn(CCOC)nn1 1431689755 ZGJVEAZJRVDLFN-LLVKDONJSA-N 322.369 -0.338 30 20 DBED CC(=O)N[C@@H](C)C(=O)NCC1CN(C(=O)c2ccc(C#N)[nH]2)C1 1432368179 CZJQTGQUPDUFFE-VIFPVBQESA-N 317.349 -0.401 30 20 DBED C[C@H](CNC(=O)CNC(=O)c1ccccn1)NC(=O)[C@H](C)C#N 1433487625 CDZPTLDXZFYOBG-GHMZBOCLSA-N 317.349 -0.408 30 20 DBED CCn1cc(C(=O)N(C)C[C@H](O)CNC(=O)[C@@H](C)C#N)nn1 1444737154 JGPCHFYGQSKCLS-VHSXEESVSA-N 308.342 -0.993 30 20 DBED N#Cc1cn(CCC(=O)N2C[C@H]3COC[C@H]3C2)c(=O)nc1O 1455422499 GHCQCYTVSXHKIM-PHIMTYICSA-N 304.306 -0.685 30 20 DBED CC(=O)NC[C@H]1CCCCN1c1[nH]c(=O)n(C)c(=O)c1C#N 1472844997 KYXFQIPWADKJDD-SNVBAGLBSA-N 305.338 -0.560 30 20 DBED C[C@H](C#N)C(=O)NC1(C)CCN(Cc2nc(=O)n(C)[nH]2)CC1 1483962227 JSHIRYWOMLKVAT-SNVBAGLBSA-N 306.370 -0.261 30 20 DBED CC(C)NC(=O)CN(CCO)C1CCN(C(=O)[C@H](C)C#N)CC1 1489352967 NBLJZGHLKZSEHJ-CYBMUJFWSA-N 324.425 -0.044 30 20 DBED C=C(Cl)CN1CCC(CO)(NC(=O)CNC(=O)O)CC1 1573339479 SXYLBGSZIOKJMX-UHFFFAOYSA-N 305.762 -0.050 30 20 DBED C=C(Cl)CN[C@@]1(CO)CCCN(C(=O)CNC(=O)O)C1 1573344280 RPIACSLKDRXVCB-LBPRGKRZSA-N 305.762 -0.050 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CCN(c2cnc(-c3nn[nH]n3)cn2)C1 1573585515 RKDBNQZMLJTQMR-DTWKUNHWSA-N 313.325 -0.489 30 20 DBED CC#CC[C@H](N)C(=O)N[C@H](C(=O)OCC)[C@@H](O)c1cccnc1 1574962131 FZQMDHUKEAXAMU-IHRRRGAJSA-N 319.361 -0.096 30 20 DBED CC(C)(C)OC(=O)C1=NO[C@@H](C(=O)N2CCNC[C@@H]2C#N)C1 1575153065 NAHDITKJTCAAEY-GXSJLCMTSA-N 308.338 -0.203 30 20 DBED N#CC1(CC(=O)N2CCN(C(=O)N3CCNCC3)CC2)CC1 1580038264 IVIABBHXVPBVOP-UHFFFAOYSA-N 305.382 -0.150 30 20 DBED CN(C)C[C@@](C)(C#N)NC(=O)c1cc(-c2nn[nH]n2)ccn1 1591011816 ABUAELMWQOATHL-CYBMUJFWSA-N 300.326 -0.165 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N[C@H]2CCC[C@@H]2C(=O)O)CCO1 1601062699 ISPRVGPNQSCBST-UTLUCORTSA-N 303.340 -0.702 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@H](N=c2cc[nH]c(-c3nn[nH]n3)n2)C1 1602984335 WZBKMVRIDXQCOM-CIUDSAMLSA-N 313.325 -0.703 30 20 DBED CC(C)C#CC(=O)NCCN(CCO)C(=O)[C@H]1C[C@H]1C(=O)O 1603700077 KEFHWMJALDSBCH-NWDGAFQWSA-N 310.350 -0.696 30 20 DBED N#Cc1c(-c2nn[nH]n2)ncn1CC(=O)NCC(F)(F)F 1606356491 UUKLMDFPGFCWQO-UHFFFAOYSA-N 300.204 -0.387 30 20 DBED N#Cc1nc(N2CCC(NCCO)CC2)cnc1-c1nn[nH]n1 1606389445 NBXSNFHRYFSRND-UHFFFAOYSA-N 315.341 -0.921 30 20 DBED COC(=O)[C@H]1CCN(S(=O)(=O)CCCC#N)[C@@H](C(=O)O)C1 1606413774 HNEOFUDAEDJTLM-VHSXEESVSA-N 318.351 -0.042 30 20 DBED C=CCCOCCNC(=O)NCCn1cnc(-c2nn[nH]n2)n1 1609056039 MGUYNXBNNPFMST-UHFFFAOYSA-N 321.345 -0.650 30 20 DBED COC(=O)c1cc(C(=O)NCCn2cnc(C#N)n2)ccn1 1647190836 ZBWOLUGCLRJNMN-UHFFFAOYSA-N 300.278 -0.239 30 20 DBED COC(=O)[C@H](CO)NC(=O)CCc1c(C)nn(CCC#N)c1C 1647211459 CHQZQSQIVLFISE-ZDUSSCGKSA-N 322.365 -0.004 30 20 DBED COCC#CCN[C@H]1C[C@@H](NC(=O)[C@@]2(C)CCNC(=O)C2)C1 1752737496 MWERLCLMECFIIG-ZENOOKHLSA-N 307.394 -0.211 30 20 DBED C#CCNC(=O)CNC[C@@H](C)CNC(=O)[C@@H](F)C(F)(F)F 1753614204 JOPCPPPAYYNOST-PSASIEDQSA-N 311.279 -0.022 30 20 DBED C#CCNC(=O)CN1CCO[C@@H](CNC(=O)[C@@H](C)C(C)C)C1 1753653830 IVTSDYFXCISJJT-KBPBESRZSA-N 309.410 -0.155 30 20 DBED CCc1nc(C(=O)N[C@H](C)CCNCC(=O)NCC#N)co1 1753959210 OQKAQZFWFHFGBC-SNVBAGLBSA-N 307.354 -0.025 30 20 DBED C=CCNC(=O)[C@@H](C)NC[C@@H](C)NC(=O)c1cc(C(N)=O)c[nH]1 1754247115 KEWBWIRUFHTFDA-NXEZZACHSA-N 321.381 -0.488 30 20 DBED C#CCNC[C@]1(C)CCN(C(=O)CN2CCN(C)C(=O)C2)C1 1754698635 QHNMPBCNRPAWSI-INIZCTEOSA-N 306.410 -0.778 30 20 DBED C=CCNC(=O)CNC[C@@H]1CN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C[C@@H]1C 1754821380 QMWZBIRIEDYBBB-OJKRMQCYSA-N 321.421 -0.135 30 20 DBED C#CCNC[C@@H]1CN(C(=O)c2ccc3nn[nH]c3n2)CCO1 1755000681 OPTVUMDMQBWLIE-SNVBAGLBSA-N 300.322 -0.583 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)c2cn(CC)nn2)C[C@@H]1C 1755117430 FUHXCKLQJHINAV-NWDGAFQWSA-N 320.397 -0.350 30 20 DBED C[C@@H]1CN(C(=O)CCS(=O)(=O)N(C)C)C[C@@H]1NCC#N 1755120865 BENMZTWMMFGZAO-MNOVXSKESA-N 302.400 -0.772 30 20 DBED CC#CCN[C@H](C)[C@@H](C)NC(=O)Cn1nc2n(c1=O)CCCC2 1755263708 RTPNQIFKIAGEMP-CHWSQXEVSA-N 319.409 -0.113 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(CNC(=O)[C@@H]3[C@H]4COC[C@H]43)[C@H]2C1 1755427541 HBFXSDRHNYMDHU-FAHYXWLWSA-N 319.405 -0.525 30 20 DBED COCC#CCN[C@@H](C)[C@@H]1CN(C(=O)Cn2cccn2)CCO1 1755437526 DYPMZNSRFBFKLH-GJZGRUSLSA-N 320.393 -0.262 30 20 DBED O=C1N[C@H](C(=O)NC[C@@H](CO)NCC#Cc2ccccc2)CO1 1755624957 BNLBBZQEGOEPSV-KBPBESRZSA-N 317.345 -0.787 30 20 DBED C=CCN1CC[C@@H](N[C@H](CO)CNC(=O)C2CC=CC2)C1=O 1755626441 GYCMENCDCROYTE-UONOGXRCSA-N 307.394 -0.194 30 20 DBED C#CCNC(=O)CN1CC[C@@]2(NC(=O)c3cc[nH]n3)CCC[C@@H]12 1755696212 XHTFDMMHUIIFNV-CJNGLKHVSA-N 315.377 -0.114 30 20 DBED CC#CCN[C@H]1CN(C(=O)CCNC(=O)COC)CC1(C)C 1755756874 HUTWFGYSONVJMV-ZDUSSCGKSA-N 309.410 -0.011 30 20 DBED C=CCNC(=O)[C@H](C)N(C)C[C@H](O)CN(C)C(=O)c1ccon1 1755798165 PJAQYKVUYNPDQO-RYUDHWBXSA-N 324.381 -0.270 30 20 DBED C=CCCCC(=O)N1CC(CCO)(NC(=O)[C@H]2CCC(=O)N2)C1 1756078283 OTNHIEKGKWYZLH-GFCCVEGCSA-N 323.393 -0.299 30 20 DBED C#Cc1ccc(C(=O)N[C@H](CO)CNC(=O)c2ccc[nH]2)cn1 1756503939 SEBOQSKTQNRWGL-ZDUSSCGKSA-N 312.329 -0.088 30 20 DBED C=CCOCC(=O)N1C[C@@H](NC(=O)CN2CCCC2=O)C[C@H]1C 1756583806 QCMXTNWTYIYPGO-OLZOCXBDSA-N 323.393 -0.083 30 20 DBED C=CCCC(=O)N[C@H]1CCN(C(=O)c2cn(C)nn2)C[C@H]1O 1757562469 OEXDWVIQNHKXRJ-CMPLNLGQSA-N 307.354 -0.527 30 20 DBED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)CN(C)C)CCO2 1785420592 JPAOVQSEQFHQJL-INIZCTEOSA-N 307.394 -0.209 30 20 DBED C=CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(OC)OC 1793172344 BTXUBROMGOXYLJ-PTEHBNRSSA-N 312.366 -0.229 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(C)nc1)C2 1800451331 XQBGLGULRZAUKX-AGGWBTHJSA-N 314.345 -0.379 30 20 DBED CC(=O)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1835353856 DULKSQNWCZYTTO-OAHLLOKOSA-N 323.349 -0.664 30 20 DBED O=C(C#CC1CC1)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1C[C@H](O)CN1 1847747411 KKNZUEQWLCXMBH-AJNGGQMLSA-N 317.389 -0.676 30 20 DBED CS(=O)(=O)NCCCNC(=O)COc1ccc(C#N)cc1 44706282 SSOLNIJOVIHRGC-UHFFFAOYSA-N 311.363 -0.007 30 20 DBED C[C@H](NS(=O)(=O)N(C)CCC#N)[C@@H](C)N1CCOCC1 104758089 GHBODZHBBCFMIF-NWDGAFQWSA-N 304.416 -0.225 30 20 DBED N#Cc1cc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)ccc1[N+](=O)[O-] 167039593 URNMHUVJBPPYOT-LLVKDONJSA-N 315.289 -0.387 30 20 DBED N#C[C@@H]1CN(C(=O)Cn2c(O)nc(=O)c3ccccc32)CCO1 264344034 CZXSZWDPZUOJMM-SNVBAGLBSA-N 314.301 -0.147 30 20 DBED COCCNC(=O)CNC(=O)C#Cc1ccc2c(c1)OCO2 268479840 IPNMPGCHATYKFI-UHFFFAOYSA-N 304.302 -0.354 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCN(c2cnccn2)CC1 282742231 FOWWJHYWISMTJL-LBPRGKRZSA-N 324.410 -0.065 30 20 DBED CN1C[C@H](/C(O)=N/C[C@@H]2CCN(S(C)(=O)=O)C2)CC1=O 328834377 WPYUBNZZMUIMEP-VHSXEESVSA-N 303.384 -0.297 30 20 DBED O=C1CCC(=O)N1CC/N=C(/O)NC[C@]1(O)CCSC1 330092340 QSQWPHKIYYTEQN-GFCCVEGCSA-N 301.368 -0.493 30 20 DBED CCOC(=O)CCC/N=C(/O)N1CCN(S(C)(=O)=O)CC1 330380419 MCULUGYSAMEMAV-UHFFFAOYSA-N 321.399 -0.179 30 20 DBED CC(C)[C@](C)(C#N)NC(=O)CN1CC[C@@H](S(N)(=O)=O)C1 330471837 OOFBHABHERQBGJ-PWSUYJOCSA-N 302.400 -0.596 30 20 DBED CN1CC(=O)N(CCCC(=O)N2CCN(CC#N)CC2)C1=O 330841606 ZWKHQXZREQYGHJ-UHFFFAOYSA-N 307.354 -0.672 30 20 DBED CC(C)/N=C(/O)N1CCC[C@H]1C(=O)N(C)Cc1nnnn1C 331012833 STBWDSCKGANEOD-JTQLQIEISA-N 309.374 -0.045 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC[C@H](S(C)(=O)=O)C1 336933053 CWLNOBHRZPUFJR-QWRGUYRKSA-N 323.440 -0.168 30 20 DBED CN(CCNS(=O)(=O)N1CCO[C@@H](C#N)C1)C1CCCC1 337056201 CHCDHCQAJNLFSC-ZDUSSCGKSA-N 316.427 -0.080 30 20 DBED C[C@@H](NS(=O)(=O)N1CCO[C@H](C#N)C1)C(=O)N1CCCC1 337255539 SWQNPUGTOXDWCN-GHMZBOCLSA-N 316.383 -0.944 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@@H]3CC[C@@H](O)[C@H]3C2)C1=O 345499530 SXTCMICDLMVEJK-GARJFASQSA-N 321.333 -0.808 30 20 DBED N#CCNC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 353777363 CQFMHXMTJQEHPY-VIFPVBQESA-N 322.346 -0.673 30 20 DBED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2C[C@H](F)C[C@H]2CO)n1 356087572 KTSGGJOISADTMS-MNOVXSKESA-N 323.328 0.205 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)Nc1cnn(CC(=O)N(C)C)c1 357911551 WVTJHRRMCYHLPV-JTQLQIEISA-N 322.369 -0.217 30 20 DBED C=CCOC[C@@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)C(=O)OC 360708200 QVMKOWJBLADVIR-SECBINFHSA-N 312.282 -0.348 30 20 DBED C[C@@H]1CN(S(=O)(=O)N(C)CCC#N)C[C@@]2(CCOC2)O1 408340044 MYJPQUGBVRXJAX-VXGBXAGGSA-N 303.384 -0.044 30 20 DBED C=C[C@@H](CO)NC(=O)c1ccc(C(=O)N[C@H](C=C)CO)nc1 426850513 ITWIHLCBBUQEDW-NWDGAFQWSA-N 305.334 -0.365 30 20 DBED COC[C@@](C)(C#N)NC(=O)CN(C)C(=O)[C@H](C)n1cccn1 433958632 IBTXWRHASMBVIC-SMDDNHRTSA-N 307.354 -0.053 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)c2ccnn2C)CC1 490616967 NEIRWOSYQFOKAX-UHFFFAOYSA-N 303.366 -0.683 30 20 DBED C#CCN(CC#N)C(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1 491022313 QDOZMCCJOMHPOM-LBPRGKRZSA-N 304.331 -0.298 30 20 DBED C#CCN(C)CCCNC(=O)CS[C@H]1CCS(=O)(=O)C1 491695174 NTAPUAYIMLULRI-LBPRGKRZSA-N 318.464 -0.022 30 20 DBED N#CCNC(=O)CN1CCCC[C@@H]1COC(=O)N[C@H]1CCOC1 495812329 ASFPEOHTUXNSBJ-QWHCGFSZSA-N 324.381 -0.004 30 20 DBED C=CCN1CC[C@@H](N(C)CN2C[C@@H](C(=O)OC)OC2=O)C1=O 496714065 TZSDPCPBOBABCJ-MNOVXSKESA-N 311.338 -0.344 30 20 DBED CCCCS(=O)(=O)NCC(=O)NC1(C#N)CCN(C)CC1 535519860 OFZKTUBIGUJNQX-UHFFFAOYSA-N 316.427 -0.190 30 20 DBED CC[C@@H](CC#N)NC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C 545863689 JXCXCQOTJFJIOR-VIFPVBQESA-N 317.349 -0.002 30 20 DBED CS(=O)(=O)N1CCC[C@@H]1C(=O)N1CC[C@](O)(CC#N)C1 592838108 IXMAQRGMBIRDLR-ZYHUDNBSSA-N 301.368 -0.713 30 20 DBED CCN([C@H](C)C#N)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O 595354310 BNQJYDJDTGUFHQ-MRVPVSSYSA-N 300.340 -0.993 30 20 DBED CNC(=O)CNC(=S)NN=C1C(=O)Nc2ccc(C)cc21 731929436 QFAZEJVREQTXMA-UHFFFAOYSA-N 305.363 -0.139 30 20 DBED C#CCOCCOC(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 762712785 ZBQAMYNRSBEISR-RFHZTLPTSA-N 321.329 -0.268 30 20 DBED COCC#CCOC(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 762783178 WSBBDPQDVHNDME-IMIFBBOLSA-N 303.314 -0.014 30 20 DBED Cc1c[nH]cc(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)c1=O 777802361 QRHAYSNDQVAAKF-NTCAYCPXSA-N 316.317 -0.060 30 20 DBED CC(C)(C#N)CC(=O)NCCS(=O)(=O)N1CCOCC1 783055704 KKNBAGVCMPCIAY-UHFFFAOYSA-N 303.384 -0.296 30 20 DBED C#C[C@@H](NC(=O)C(=O)NCCN(CC)C1CC1)[C@@H]1CCCO1 804224096 WXNNYBCEICOWGA-KGLIPLIRSA-N 307.394 -0.116 30 20 DBED C[S@](=O)CCNC(=O)C(=O)NCc1cc(C#N)ccc1F 805003091 JOIWGPSMMPBCGP-NRFANRHFSA-N 311.338 -0.192 30 20 DBED C#C[C@@H](NC(=O)C(=O)NCc1cc(CC)[nH]n1)[C@H]1CCCO1 805852171 WGZWDCAIFYRBIE-CHWSQXEVSA-N 304.350 -0.115 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@@H]1CCC[C@@H]1C(=O)NC)[C@@H]1CCCO1 809240603 ZXLOOAIOSWCTNB-RVMXOQNASA-N 321.377 -0.686 30 20 DBED CN(C)S(=O)(=O)CCNC(=O)NCc1ccc(C#N)cn1 811918659 ZPEYVADXBIKCKN-UHFFFAOYSA-N 311.367 -0.356 30 20 DBED COCc1nc2n(n1)C[C@H](NC(=O)[C@](C)(C#N)CC(=O)O)CC2 820749201 JJBZSAQSMGGSPP-OTYXRUKQSA-N 321.337 -0.140 30 20 DBED CNC(=O)CNC(=S)NN=Cc1ccc(-c2nn[nH]n2)s1 821634127 SKXOGFFNCNVTOS-UHFFFAOYSA-N 324.395 -0.528 30 20 DBED Cc1ccc2c(c1)C(=O)N(CC(=O)N[C@@H]1CNC[C@@H]1C#N)C2=O 834511760 NUBXNUQMHCVOJX-GXFFZTMASA-N 312.329 -0.181 30 20 DBED C#C[C@H](NC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1OC)[C@H]1CCCO1 852259136 DSQZEILXZXBGCM-QCNOEVLYSA-N 316.379 -0.722 30 20 DBED CC(C)[C@H](NC=O)C(=O)NS(=O)(=O)c1cncc(C#N)c1 860785081 KWAQWWJYMGYLLN-NSHDSACASA-N 310.335 -0.471 30 20 DBED C#CC1CCN(S(=O)(=O)CCS(=O)(=O)N(C)C)CC1 882309625 HLEGSHRZPDDYPS-UHFFFAOYSA-N 308.425 -0.447 30 20 DBED C#CC1(O)CN(C(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@@H]32)C1 890521534 IXZXXIRJCRKQFA-MDZLAQPJSA-N 323.418 -0.081 30 20 DBED C#CCOc1ccc(NC(=O)C(=O)N(C)[C@@H]2COC[C@H]2O)cc1 891697558 GAQSNTBEZAUCNW-ZIAGYGMSSA-N 318.329 -0.145 30 20 DBED C=CCNC(=S)NN=Cc1nc2c(c(O)nc(=O)n2C)n1C 920362504 APTZBAQECCWBOU-UHFFFAOYSA-N 321.366 -0.643 30 20 DBED C[C@]1(C(=O)N[C@H]2CCN(C(=O)C#CC3CC3)C2)CNC(=O)C1 938298901 WFRDDNVYBIHWOO-BLLLJJGKSA-N 303.362 -0.357 30 20 DBED C#CCN1CC[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)[C@@H](C)C1 944491519 LKPQOXGTJMZCOP-WCQYABFASA-N 305.382 -0.650 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@@H]3CN(C(=O)C(N)=O)CC[C@@H]32)c1 946026643 ZSOWDECHRZONIW-PWSUYJOCSA-N 315.333 -0.565 30 20 DBED N#CCN1C[C@H]2CCN(C(=O)C[C@@H]3CC(=O)NC3=O)CC[C@H]2C1 946915648 PNKLDWADBHHTHS-XQQFMLRXSA-N 318.377 -0.267 30 20 DBED C[C@@H]1C[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)CCN1CC#N 947762860 ZSKGVKBVBJVRMC-MNOVXSKESA-N 319.365 -0.810 30 20 DBED N#CCN1CCOC2(CCN(C(=O)[C@H]3COC(=O)N3)CC2)C1 949355372 NQFNFGFVBAWMKH-LLVKDONJSA-N 308.338 -0.688 30 20 DBED Cn1nncc1C(=O)N1CC[C@@H]1CNC(=O)c1ccc(C#N)[nH]1 949452881 SHXJGRYRIAHQML-SNVBAGLBSA-N 313.321 -0.341 30 20 DBED Cn1oc(C(=O)NC[C@H]2CCN2C(=O)C#CC2CC2)cc1=O 949613532 VMWBKRCAZJFULV-LLVKDONJSA-N 303.318 -0.278 30 20 DBED CN1CCOC[C@H]1C(=O)N[C@H]1CCCN(C(=O)C#CC2CC2)C1 950759605 UDTPISISONUHPM-GJZGRUSLSA-N 319.405 -0.162 30 20 DBED COc1c(C(=O)NC[C@@H]2CCN2C(=O)[C@@H](C)C#N)cnn1C 951418545 YHIAYHSKEZBNEY-UWVGGRQHSA-N 305.338 -0.081 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cc(C3CC3)nn2C)C1 958110415 HAIJXUCOOQADBM-SWLSCSKDSA-N 302.378 -0.047 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](NC(=O)c2cc(=O)n(C)o2)[C@H](C)C1 958368800 VIQACGOYNUTDGU-OPRDCNLKSA-N 306.322 -0.285 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H]2CN(C(=O)c3cnns3)C[C@@H]21 960880025 HNCIOUOHIWIUGC-KXUCPTDWSA-N 321.362 -0.250 30 20 DBED N#CCN1CC[C@@H]([C@H]2CCCN(C(=O)Cn3cnnn3)C2)C1 961099962 HSJPSPREAHPMDM-QWHCGFSZSA-N 303.370 -0.243 30 20 DBED C#CCN1CC[C@H]([C@@H]2CCCN(C(=O)Cn3ncnn3)C2)C1 961160225 VTWYTAZVJDDXRR-KGLIPLIRSA-N 302.382 -0.133 30 20 DBED C#CCNC1CCC(N(C)C(=O)C[C@@H]2NC(=O)NC2=O)CC1 963454436 YXMVROZRQYREOE-MCIGGMRASA-N 306.366 -0.423 30 20 DBED C[C@H](C#N)C(=O)N1CCOC2(CN(C(=O)c3nc[nH]n3)C2)C1 965475465 WYXSCERJVHMKKQ-SECBINFHSA-N 304.310 -0.982 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](NCc2nnnn2C)C1 970014862 OLOIBVFITFNOOU-UTUOFQBUSA-N 306.370 -0.508 30 20 DBED C#CCN1CC([C@H](C)NC(=O)c2cn([C@@H]3CCOC3)nn2)C1 970712603 ZEJYPYPHBDADJI-WCQYABFASA-N 303.366 -0.077 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)Cc3n[nH]c(C)n3)C2)C1 972374987 SXQKRUBYGMKUKN-OAHLLOKOSA-N 303.366 -0.408 30 20 DBED C#CCCN1CCO[C@]2(CCN(C(=O)[C@@H]3CCCNC3=O)C2)C1 972419329 CZXVTQDVPINFQI-RHSMWYFYSA-N 319.405 -0.161 30 20 DBED N#Cc1cc(C(=O)N[C@H]2[C@@H]3CN(C(=O)c4nc[nH]n4)C[C@@H]32)c[nH]1 976408687 PHKNWIYNBJWDPC-URLYPYJESA-N 311.305 -0.495 30 20 DBED C[C@H](C(N)=O)N1C[C@H]2C(CNC(=O)c3ccc(C#N)[nH]3)[C@@H]2C1 978024458 UTYBXCDLJOFSRY-ZHAHWJHGSA-N 301.350 -0.332 30 20 DBED Cn1[nH]c(CN2CCCN(C(=O)C#CC3CC3)CC2)nc1=O 981124221 HGAZLDUTBGMYFC-UHFFFAOYSA-N 303.366 -0.444 30 20 DBED O=C1CC[C@@H](N2CCCN(C(=O)C#CC3CC3)CC2)C(=O)N1 981126237 RACHBCIRCVDZKD-CYBMUJFWSA-N 303.362 -0.261 30 20 DBED C#CCN[C@H]1CCN(C(=O)CN2C(=O)CC(C)(C)C2=O)[C@H]1C 986280413 MHAVFSKMVAUFHH-RYUDHWBXSA-N 305.378 -0.016 30 20 DBED C[C@H](C#N)C(=O)N1CCC(NCC(=O)N2CCOCC2)CC1 990262534 RMUBGSPKUOERBF-GFCCVEGCSA-N 308.382 -0.415 30 20 DBED C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)c3cnn[nH]3)C[C@@H]2O)C1 991758450 QZZNEPGPXGCUFL-JQWIXIFHSA-N 319.365 -0.147 30 20 DBED COc1cnc(C(=O)NC2CN(C(=O)C#CC3CC3)C2)nc1 996830612 DFNOUIGKACTULI-UHFFFAOYSA-N 300.318 -0.161 30 20 DBED N#Cc1cc(C(=O)NCC2CN(C(=O)[C@@H]3COC(=O)N3)C2)c[nH]1 1001505719 IENFUHOHFSKMMU-NSHDSACASA-N 317.305 -0.817 30 20 DBED N#Cc1ccc(C(=O)N2CC(CNC(=O)[C@@H]3COC(=O)N3)C2)[nH]1 1001671924 ZFQCRIAUQDMWLS-NSHDSACASA-N 317.305 -0.817 30 20 DBED CC(C)C(=O)N1CCNC(=O)CCN(C(=O)[C@H](C)C#N)CC1 1001778297 VLVKQSFGNXLUPI-GFCCVEGCSA-N 308.382 -0.021 30 20 DBED C=CCn1cccc1C(=O)NC[C@H]1[C@@H]2CN(C(=O)C(N)=O)C[C@H]12 1009173199 JKQHHNGBOYGLSQ-CNDDSTCGSA-N 316.361 -0.406 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCN(Cc2nnn(C)n2)C1 1015829232 PCSXWIWIGJOJCU-DYEKYZERSA-N 320.397 -0.118 30 20 DBED C#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CN(C(C)=O)CCO1 1018226531 KMXSMFSXOVZGPA-QLFBSQMISA-N 305.378 -0.458 30 20 DBED N#Cc1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)C3CCC3)C2)[nH]1 1022870798 RDZGVPBWIRZBAW-CHWSQXEVSA-N 302.334 -0.012 30 20 DBED Cn1cnn(CCC(=O)N2C[C@@H]3CC[C@H](NCC#N)[C@H]3C2)c1=O 1026315220 LMRJPSUVXYAVAR-AVGNSLFASA-N 318.381 -0.678 30 20 DBED Cc1ccc(=O)n(CC(=O)N2C[C@H]3[C@@H](NCC#N)CC[C@H]3C2)n1 1026402221 IUSBQVBWESHBQY-MJBXVCDLSA-N 315.377 -0.098 30 20 DBED N#Cc1cc(C(=O)NC2CN(C[C@H](O)Cn3cccn3)C2)c[nH]1 1030236976 VOCVQIVCHAEGPP-AWEZNQCLSA-N 314.349 -0.442 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CN([C@@H]2CCCN(C)C2=O)C1 1030464403 RJIHENJGIAFRFT-LSDHHAIUSA-N 318.421 -0.495 30 20 DBED CN(C(=O)[C@H]1CCN(C)S1(=O)=O)[C@H]1CCN(CC#N)C1 1033500886 FIZVPLLDVSSOSE-WDEREUQCSA-N 300.384 -0.923 30 20 DBED C=C(Cl)CN1CCO[C@H](CNC(=O)[C@H]2COCCO2)C1 1035295885 ZFGWCDZSYCNZFH-VXGBXAGGSA-N 304.774 -0.029 30 20 DBED N#CCN1CC2(CCN(C(=O)Cn3ccc(O)nc3=O)CC2)C1 1035742689 LIODNBCHXYVTHC-UHFFFAOYSA-N 317.349 -0.603 30 20 DBED COCCn1cc(C(=O)N2CC[C@@H](NCC#N)[C@H](C)C2)nn1 1036023483 SYRHCEXTXWZHCO-VXGBXAGGSA-N 306.370 -0.112 30 20 DBED C#CCN1CC[C@H]2CN(C(=O)CN3C(=O)CNC3=O)CC[C@@H]21 1036888673 MXTJSJIDEYHLFB-RYUDHWBXSA-N 304.350 -0.906 30 20 DBED C#CCOc1ccc(C(=O)N[C@H]2[C@H]3C[C@H]2N(CC(N)=O)C3)cc1 1037622181 YKJLVJQSLWIFOK-BJJXKVORSA-N 313.357 -0.014 30 20 DBED CN1CC[C@@H](N2CC[C@H]2CNC(=O)c2ccc(C#N)[nH]2)C1=O 1038173571 OQVJKSHDKLKPFB-WCQYABFASA-N 301.350 -0.079 30 20 DBED C#CCN1CC[C@@H]1CNC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 1038248743 YJPUIMOPAFIGPU-VXGBXAGGSA-N 301.350 -0.414 30 20 DBED C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CN1CCNC(=O)C1 1039415952 CKKGQINQPNQUAS-CABCVRRESA-N 318.421 -0.493 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@]1(O)CCN(C(=O)c2cn[nH]c2)C1 1039721077 HQVARCCRAZGVFT-IAQYHMDHSA-N 320.349 -0.859 30 20 DBED C#CCN1CCC(C(=O)NC[C@]2(O)CCN(C(=O)CC)C2)CC1 1040100925 UQBVVEWUFHENAD-QGZVFWFLSA-N 321.421 -0.179 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]2CN(c3nccn4nnnc34)C[C@H]21 1040541719 QWVFIEQFTZOVPE-OUAUKWLOSA-N 312.337 -0.284 30 20 DBED Cc1cc(C(=O)N[C@@H]2CN(c3ccc(C#N)nn3)C[C@H]2O)n[nH]1 1040949550 QIVFULXRETWTLJ-VXGBXAGGSA-N 313.321 -0.641 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(O)(CNC(=O)c2ccc[nH]2)C1 1041442323 DKWVGTINMGTBAA-YPMHNXCESA-N 319.361 -0.091 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)c2ccnc(O)c2)C1 1042040232 QWAOSYRWCHGXDF-UHFFFAOYSA-N 321.333 -0.707 30 20 DBED C=CCN1CC[C@H]2CCN(C(=O)CN3CCN(C)C(=O)C3)C[C@@H]21 1042122911 PDLFOMOVNDQJNU-GJZGRUSLSA-N 320.437 -0.131 30 20 DBED CN1C(=O)CN(CC(=O)N2CC[C@@H]3CCN(CC#N)[C@H]3C2)C1=O 1042314286 ZMAXCPPFTOKZLD-RYUDHWBXSA-N 319.365 -0.673 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(O)CN(C(=O)[C@@H]2CC2(F)F)C1 1042807229 QHEBZCBMYFQVRO-CABZTGNLSA-N 318.320 -0.342 30 20 DBED Cc1ccc(C(=O)N2CC(O)(CNC(=O)C#CC3CC3)C2)nn1 1042957969 CGFVKBULWMYJSB-UHFFFAOYSA-N 314.345 -0.498 30 20 DBED C=CCCCC(=O)N1CC(O)(CNC(=O)C(C)(C)C(N)=O)C1 1043461963 RTEYUORIDAXEBD-UHFFFAOYSA-N 311.382 -0.456 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)[C@H]2CCCCN2C)C1 1043768342 BDPYEKHWGZAOOJ-VXGBXAGGSA-N 308.382 -0.680 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)[C@H]2CC23CCOCC3)C1 1043829220 RHFBKFIQAOERMS-NWDGAFQWSA-N 321.377 -0.348 30 20 DBED C#CCOc1ncccc1C(=O)N(C)C1CN([C@H](C)C(N)=O)C1 1044202771 ZLBRVFBVDKWBDP-LLVKDONJSA-N 316.361 -0.276 30 20 DBED Cn1cncc1C(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@@H]1O 1044289247 PDXRTAJCUNECCN-RISCZKNCSA-N 312.333 -0.334 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(O)(CNC(=O)[C@H](F)CC)C1 1044801178 QBEQTRWBASFKFC-ZWNOBZJWSA-N 302.346 -0.249 30 20 DBED C=C[C@H](CC)CC(=O)NCC1(O)CN(C(=O)[C@@H]2CCNC2=O)C1 1045072124 CCEKCUXUEHENBE-VXGBXAGGSA-N 323.393 -0.586 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)CC[C@@H]2CCCN2C)C1 1045565458 XUGFHMCAQPHSID-OLZOCXBDSA-N 322.409 -0.290 30 20 DBED C[C@@H](C(N)=O)N1CC[C@H](N2CCN(C(=O)C#CC3CC3)CC2)C1 1046027152 IMODSQVHDVPURG-ZFWWWQNUSA-N 318.421 -0.508 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C2=COCCO2)C1 1048130357 QVUWDIPIUUHHRT-STQMWFEESA-N 322.361 -0.436 30 20 DBED C=CCCC(=O)N(C)[C@H]1CN(C(=O)Cn2ccnc2)C[C@@H]1O 1048539738 LOBBMGPUSDSIJO-STQMWFEESA-N 306.366 -0.121 30 20 DBED C#CCO[C@H](C)C(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CCOC2)C[C@@H]1O 1048852196 HKDZAGFHKWRKIS-MQYQWHSLSA-N 324.377 -0.909 30 20 DBED C#CCOCCC(=O)N[C@@H](C)[C@H]1CCN(C(=O)CC(N)=O)C1 1050351209 WNQQIJOIPZKLEG-RYUDHWBXSA-N 309.366 -0.745 30 20 DBED C[C@@H]1[C@@H](NC(=O)[C@@H]2CCNC2=O)CCN1c1cncc(C#N)n1 1050849534 KUBIWTFPXOVQSS-JLLWLGSASA-N 314.349 -0.432 30 20 DBED CCCn1nnnc1CNC[C@H]1CN(C(=O)[C@@H](C)C#N)CCO1 1051495664 WGXCOZIQGHHGPL-RYUDHWBXSA-N 321.385 -0.440 30 20 DBED C=CCN1CCN([C@@H]2CCN(C(=O)c3nnn(C)n3)C2)CC1 1052068196 YFEVUHYAPDLEEX-GFCCVEGCSA-N 305.386 -0.772 30 20 DBED C=CCOCC(=O)N1C[C@H](CNC(=O)c2nnn(C)n2)[C@@H](C)C1 1052214422 KUHBVLPPYZVZGT-QWRGUYRKSA-N 322.369 -0.763 30 20 DBED C[C@]1(C(=O)N2CCOC3(CN(CC#N)C3)C2)CCNC(=O)C1 1053305479 BCEPZGMVUQJBPB-AWEZNQCLSA-N 306.366 -0.661 30 20 DBED Cc1cc(C)n(CC(=O)N2CCOC3(CN(CC#N)C3)C2)n1 1053333078 MCXNDMOLLOZBSA-UHFFFAOYSA-N 303.366 -0.063 30 20 DBED CN1CCC(OCC(=O)N2CCOC3(CN(CC#N)C3)C2)CC1 1053487620 OQUUHIKNPWITJT-UHFFFAOYSA-N 322.409 -0.466 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)c3cnn(C)c3N)CO2)C1 1053784160 HRMBZOQETNAUSW-NSHDSACASA-N 303.366 -0.401 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)C[C@@H]3CCN(C)C3=O)CO2)C1 1053841152 BFBGEHJNKRRVKK-KBPBESRZSA-N 319.405 -0.162 30 20 DBED CC(=O)N[C@@H](C)C(=O)N1C[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2C1 1055144513 KDHHUNUNRGTJBF-XRRVDJEJSA-N 306.366 -0.413 30 20 DBED CN1CCOC[C@@H]1C(=O)N1CCN(c2ccnc(C#N)n2)CC1 1055754197 MTJQLTPQBNNKHX-GFCCVEGCSA-N 316.365 -0.673 30 20 DBED N#Cc1cncc(N2C[C@@H]3C(NC(=O)Cc4cncnc4)[C@H]3C2)n1 1056189683 CAPKLOPSIGKEHQ-STQMWFEESA-N 321.344 -0.068 30 20 DBED C=CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)[C@H](O)C(C)C 1057491077 SVBUYVGSWNIUDE-QWHCGFSZSA-N 316.398 -0.469 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)c1cnccn1 1057517409 SMKHNKCCZMHYOU-UHFFFAOYSA-N 304.350 -0.313 30 20 DBED N#Cc1nccnc1N1CC[C@H](NC(=O)C[C@@H]2CCC(=O)N2)C1 1058396962 YNXWTBGJRUWHNQ-QWRGUYRKSA-N 314.349 -0.288 30 20 DBED N#Cc1cnc(N2CC[C@@H](NC(=O)[C@@H]3CCC(=O)NC3)C2)cn1 1058594385 PWZGOQCVTKPGQS-GHMZBOCLSA-N 314.349 -0.431 30 20 DBED Cc1nn(C)cc1C(=O)NCCN(CCO)C(=O)[C@H](C)C#N 1058653032 KTCMTOYCXHGZHI-SNVBAGLBSA-N 307.354 -0.561 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)[C@@H]1CCCCN1C 1058663004 FDKVRAYFBZDEJV-OLZOCXBDSA-N 310.398 -0.433 30 20 DBED CN(C[C@H]1CCCN(C(=O)C(N)=O)C1)c1cncc(C#N)n1 1058702238 LMSPTRYCMAGZIN-SNVBAGLBSA-N 302.338 -0.492 30 20 DBED C=C[C@](C)(CC)C(=O)N(CCO)CCNC(=O)c1nnn(C)n1 1058730637 CNQVKAGPDCADFJ-CQSZACIVSA-N 324.385 -0.637 30 20 DBED O=C(C#CC1CC1)NCCN(CCO)C(=O)[C@H]1C[C@]12CCOC2 1058827948 BBDWQRDRBFDOFI-PBHICJAKSA-N 320.389 -0.237 30 20 DBED CN1CCO[C@H](C(=O)N2CC[C@H](N=c3cc[nH]cc3C#N)C2)C1 1058857596 SWJKGNZCFSTRCS-ZFWWWQNUSA-N 315.377 -0.281 30 20 DBED C=CCOCC(=O)N1CCOC[C@H]1CNC(=O)c1cn(C)cn1 1061500476 SXVCHUASQPDFKL-GFCCVEGCSA-N 322.365 -0.420 30 20 DBED CC(C)C#CC(=O)N1CCOC[C@H]1CNC(=O)CCNC(N)=O 1061579366 YGADGYHNUAAEEZ-GFCCVEGCSA-N 324.381 -0.952 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CCCCN1C(=O)Cn1cnnc1O 1062144151 XYPNTAFXNYQARC-GHMZBOCLSA-N 320.353 -0.359 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2ccnn2C)CCO1 1064943173 IHWFPGHBNJMQRI-LBPRGKRZSA-N 322.365 -0.420 30 20 DBED C=CC(C)(C)C(=O)NC[C@H]1CN(C(=O)CC(=O)NC)CCO1 1065079753 NJSUSHMDWDVBNM-NSHDSACASA-N 311.382 -0.322 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H]1CN(C(=O)C(C)(C)C)CCO1 1065603007 HWFZXMIZAWPYLJ-GFCCVEGCSA-N 323.393 -0.484 30 20 DBED N#Cc1nccc(N2C[C@H](O)[C@H](CNC(=O)c3ccncc3)C2)n1 1067643116 QCDYVXFLAQZQOG-OLZOCXBDSA-N 324.344 -0.030 30 20 DBED N#Cc1nc(=NC[C@H]2C[C@H](NC(=O)[C@@H]3CCNC3=O)C2)cc[nH]1 1068561207 GPPXEMYHWRSYHQ-GMTAPVOTSA-N 314.349 -0.787 30 20 DBED C[C@H](C#N)C(=O)N1CC2(C[C@H](NC(=O)C(C)(C)C(N)=O)CO2)C1 1068908067 UICWRBRGAWAEHL-ZJUUUORDSA-N 322.365 -0.856 30 20 DBED Cc1cnn(C)c1C(=O)N1CCC(=O)NCCN(CC#N)CC1 1070989953 IDNCFUUQWACZFZ-UHFFFAOYSA-N 318.381 -0.484 30 20 DBED C=CCCN1CCNC(=O)CCN(C(=O)Cc2nc[nH]n2)CC1 1071014437 OANKRPPSNIAXCD-UHFFFAOYSA-N 320.397 -0.426 30 20 DBED C#CCN1CC[C@]2(C1)CN(C(=O)c1nccnc1N)C[C@H](C)O2 1071147078 OCWHAUZBVPOAJX-LRDDRELGSA-N 315.377 -0.003 30 20 DBED C#CCN1CC[C@]2(C1)CN(C(=O)C1(C(N)=O)CC1)C[C@H](C)O2 1071203901 JCDZEYBNMKTNJH-WFASDCNBSA-N 305.378 -0.423 30 20 DBED N#CCN1CCCO[C@H](CNC(=O)c2cn3c(n2)COCC3)C1 1073660720 MSLWCYROIHWJST-GFCCVEGCSA-N 319.365 -0.242 30 20 DBED N#CCN1CCO[C@H]2CCN(C(=O)c3cnnc(O)c3)C[C@H]21 1074270324 FYFSZHAQAPBRNI-NEPJUHHUSA-N 303.322 -0.379 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)c3ccn(C)c(=O)c3)C[C@@H]21 1074278894 BUFHBSKPGITXSN-GJZGRUSLSA-N 315.373 -0.066 30 20 DBED CN(C)CCC(=O)NCC1(O)CCN(C(=O)C#CC2CC2)CC1 1074582581 YLADJPZDSBQPTI-UHFFFAOYSA-N 321.421 -0.179 30 20 DBED C[C@H](C#N)C(=O)N1CCC(O)(CNC(=O)CCCN(C)C)CC1 1074704759 HQJAVJRDPWSNJX-CYBMUJFWSA-N 324.425 -0.042 30 20 DBED C#CCN1CCC(C(=O)N2CC[C@H](N[C@@H](C)C(N)=O)[C@@H]2C)CC1 1075128629 OXRNIASSTFRXKK-YDHLFZDLSA-N 320.437 -0.216 30 20 DBED C[C@@H](CCNC(=O)CCNC(N)=O)NC(=O)c1c[nH]c(C#N)c1 1076450249 RZWQFRPTRRJNSM-VIFPVBQESA-N 320.353 -0.431 30 20 DBED CC(C)C#CC(=O)N[C@@H](C)CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 1076541175 QDVONVVLVRYTHT-QWRGUYRKSA-N 322.365 -0.745 30 20 DBED C=CCN1CC[C@H](N2C[C@@H](O)[C@H](NC(=O)c3cocn3)C2)C1=O 1076807765 ZNXXQJKMLJPFFJ-KGYLQXTDSA-N 320.349 -0.764 30 20 DBED C[C@@H](CCNC(=O)CN(C)S(C)(=O)=O)NC(=O)[C@@H](C)C#N 1076887597 JZMAYCLIFAKTCQ-UWVGGRQHSA-N 318.399 -0.952 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2cc(C(F)(F)F)no2)C1 1077187235 IIBNNZGPHCLHSV-RNFRBKRXSA-N 304.228 -0.008 30 20 DBED C[C@@H](CCNC(=O)C(=O)NCC(F)F)NC(=O)[C@H](C)C#N 1077223015 NFSSVYWHASOBBV-SFYZADRCSA-N 304.297 -0.462 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)c2cc3n(n2)CCCO3)C1 1077365656 YGPHJIYTSRJIGV-CHWSQXEVSA-N 304.350 -0.536 30 20 DBED Cc1nn(C)c2ncc(C(=O)N[C@@H]3CN(CC#N)C[C@H]3O)cc12 1077481783 GLKVYVJLEGYXMP-CHWSQXEVSA-N 314.349 -0.425 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(C[C@H]3CCOC3)C[C@H]2O)cn1 1078033381 GUYAGUQQPNMVGD-DAXOMENPSA-N 315.373 -0.126 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)c2cnn(CCOC)c2)C1 1078090334 NKUZNPXSVBXGPF-ZIAGYGMSSA-N 308.382 -0.120 30 20 DBED C#CCNC(=O)CC(=O)N1CC(N(CC)C(=O)C(F)F)C1 1079185703 FBBOWEYYYSWMHX-UHFFFAOYSA-N 301.293 -0.550 30 20 DBED C#CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 1079777047 SDUMSTGFFDOQLA-RTXFEEFZSA-N 321.377 -0.795 30 20 DBED C=C(C)C[C@@H](C)C(=O)N1CCC(CO)(NC(=O)C(N)=O)CC1 1080978411 BNWZQJOMPZFGAL-LLVKDONJSA-N 311.382 -0.456 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)CCc2cnn[nH]2)C[C@@H]1O 1081338810 WLRNNGDWPMROAM-YPMHNXCESA-N 321.381 -0.361 30 20 DBED CCN(CC)CC(=O)N1C[C@@H](O)[C@H](CNC(=O)C#CC(C)C)C1 1081463673 QKJYNPKNFKVIKH-HUUCEWRRSA-N 323.437 -0.077 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CCCCN1C(=O)[C@H](C)NC(N)=O 1082028700 SKBLHGIHUHDKCW-DCAQKATOSA-N 309.370 -0.300 30 20 DBED C#CCOCCC(=O)N1CCCC[C@H]1CNC(=O)CNC(C)=O 1082073623 QENFCTXYQVFQLS-AWEZNQCLSA-N 323.393 -0.340 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CCc1cnn(C)n1 1083195264 LNZFUMHEZRQODK-UONOGXRCSA-N 303.366 -0.708 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2ccc3nc(O)[nH]c3c2)C1 1083820394 KBDLSZMZJJUEHQ-OLZOCXBDSA-N 300.318 -0.323 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN([C@H](C)COC)C[C@@H]2O)cn1 1083968908 KSXOTVQUTLEYQM-DFBGVHRSSA-N 303.362 -0.127 30 20 DBED C=CCCN1CC[C@@H]2CN(C(=O)[C@@H]3CC(=O)NC(=O)N3)[C@@H]2C1 1084689968 AOJQTYRWFOUFHD-GRYCIOLGSA-N 306.366 -0.307 30 20 DBED N#CCN1C[C@H]2CC[C@H]1[C@@H]1CN(C(=O)C3CS(=O)(=O)C3)C[C@H]21 1087359492 XRWNRALVFPWSNF-ZRJCITRHSA-N 323.418 -0.277 30 20 DBED CCN(c1nccnc1C#N)[C@H](C)CNC(=O)[C@@H]1CNC(=O)N1 1089728962 VXDVQCCDGNXFJE-KOLCDFICSA-N 317.353 -0.639 30 20 DBED Cc1nc2cc(C(=O)N[C@@H]3CCN(CC#N)C[C@H]3O)cnc2[nH]1 1090313713 SIKKKQGWYAJXHF-DGCLKSJQSA-N 314.349 -0.045 30 20 DBED C=CCN1CC[C@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)[C@H](O)C1 1090704257 LAZKFDZJSTVNQC-WDEREUQCSA-N 324.381 -0.946 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2ccc(C(N)=O)cc2)[C@@H](O)C1 1090802506 OYJVOSRKFLSDQO-CABCVRRESA-N 315.373 -0.026 30 20 DBED CNC(=O)CC(=O)NC[C@H]1C[C@H](N=c2cc[nH]cc2C#N)C1 1091449187 SMQQIMJEQNXKNM-UMSPYCQHSA-N 301.350 -0.182 30 20 DBED CC(C)(O)CC(=O)N[C@H]1CCN(c2cncc(C#N)n2)C[C@H]1O 1092146675 UTAOOUQJADZMFU-NWDGAFQWSA-N 319.365 -0.435 30 20 DBED CNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cncc(C#N)n1 1092956840 UOMVYJMRVFLTGI-UTUOFQBUSA-N 314.349 -0.290 30 20 DBED CNC(=O)C1(C(=O)N2CCN(c3cncc(C#N)n3)CC2)CC1 1093165510 WBCIEZMTYLUBHP-UHFFFAOYSA-N 314.349 -0.477 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@@H]2CN(c3ccnc(C#N)n3)C[C@@H]12 1093265230 BDKPYCBTBFDPGT-GHMZBOCLSA-N 324.344 -0.961 30 20 DBED CN(C)C(=O)CC(=O)NC1[C@@H]2CN(c3ccncc3C#N)C[C@@H]12 1093354943 CPVWAOVGACGHAW-VXGBXAGGSA-N 313.361 -0.018 30 20 DBED COc1c[nH]c(C(=O)NCCNc2ccc(C#N)nn2)cc1=O 1093993269 CFQCHKNXCSBWIU-UHFFFAOYSA-N 314.305 -0.113 30 20 DBED N#Cc1cc(C(=O)NCCCNc2ccc3nnnn3n2)c[nH]1 1094397262 RSVFYVWYUXCUDH-UHFFFAOYSA-N 311.309 -0.049 30 20 DBED Cc1cc(C(=O)N[C@H]2CC(=O)N(C3CN(CC#N)C3)C2)n(C)n1 1094714404 WBHNEBNOXYKMJT-NSHDSACASA-N 316.365 -0.733 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)Cc3cc(C)[nH]n3)CC2=O)C1 1094720519 OKBZGTVXZXUXNW-ZDUSSCGKSA-N 315.377 -0.705 30 20 DBED CCN(CCCNC(=O)[C@@H]1CCNC1=O)c1ccnc(C#N)n1 1095943067 YINMJLYBJNSKSW-NSHDSACASA-N 316.365 -0.183 30 20 DBED CC(=O)N(C)CC(=O)N[C@@H]1CCCN(c2nccnc2C#N)C1 1096167197 GUXXUBQTMCUJLN-GFCCVEGCSA-N 316.365 -0.088 30 20 DBED CS(=O)(=O)CC(=O)N[C@@H]1CCN(c2cnc(C#N)cn2)C1 1096342433 IDDCAZHPFNZIAK-SECBINFHSA-N 309.351 -0.912 30 20 DBED N#Cc1nccnc1N[C@H](CNC(=O)Cn1nccn1)C1CC1 1096736814 WRESNWIMSIMEHI-GFCCVEGCSA-N 312.337 -0.053 30 20 DBED C[C@@H](NC(=O)C(N)=O)[C@H]1CCCN(c2cnc(C#N)cn2)C1 1097548383 UQFHXQDRUQXLEA-ZJUUUORDSA-N 302.338 -0.445 30 20 DBED C[C@@H](CNC(=O)[C@H]1CN(C)CCO1)Nc1cnc(C#N)cn1 1097767759 BGPHYHKSTIUZDM-CMPLNLGQSA-N 304.354 -0.405 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCC(=O)N1C)Nc1cnc(C#N)cn1 1098231091 XJVJBALLEPVIDR-GXSJLCMTSA-N 302.338 -0.114 30 20 DBED CC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1nccnc1C(N)=O 1098347763 CILORSWXABBOSZ-UTUOFQBUSA-N 313.361 -0.066 30 20 DBED C#CCN(CCO)C1CCN(C(=O)[C@@H](C)S(C)(=O)=O)CC1 1098406542 RPOVJSXUKGCWFQ-GFCCVEGCSA-N 316.423 -0.662 30 20 DBED C#CCN(CCO)C1CCN(C(=O)[C@@H]2CCCC(=O)N2C)CC1 1098550582 VKSMLXJWDHFPBG-HNNXBMFYSA-N 321.421 -0.084 30 20 DBED C[C@@H](CCNC(=O)[C@@H]1CN(C)CCO1)N=c1cc[nH]c(C#N)n1 1098997963 CTBAUQBERYMJGI-RYUDHWBXSA-N 318.381 -0.593 30 20 DBED COCC#CCN1C[C@H]2[C@H]3CC[C@@H]([C@H]2C1)N(C(=O)CC(N)=O)C3 1099431640 RCFWXNAYRAIBSU-AJNGGQMLSA-N 319.405 -0.320 30 20 DBED CNC(=O)CC(=O)N[C@@H]1CN(CC#N)CC2(CCOCC2)C1 1099576818 MGDSMUYJGDWHOA-LBPRGKRZSA-N 308.382 -0.367 30 20 DBED C=CCCC(=O)N[C@H]1CCN(CCS(C)(=O)=O)C[C@@H]1O 1099727313 OINZGWWXHGTZHA-RYUDHWBXSA-N 304.412 -0.451 30 20 DBED C=CCCN1CC[C@H](NC(=O)CCN2CCOCC2)[C@@H](O)C1 1100037113 UEZFRXZVRLFJLQ-GJZGRUSLSA-N 311.426 -0.164 30 20 DBED C=CCN1CC[C@@H](NC(=O)COCc2ncnn2C)[C@@H](O)C1 1100057568 HLGJARKPYQWTPW-NEPJUHHUSA-N 309.370 -0.931 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CNC(=O)c2ccco2)[C@H](O)C1 1100096695 LVFAJAYIMVXADG-CHWSQXEVSA-N 319.361 -0.416 30 20 DBED N#Cc1nccnc1N1CCC[C@H]1CNC(=O)CCNC(N)=O 1100833508 TWPCVPWNAJONSG-JTQLQIEISA-N 317.353 -0.508 30 20 DBED CN(C)C(=O)CC(=O)NC[C@@H]1CCCN1c1cnc(C#N)cn1 1100913285 FDSXXBLZUWKOQP-LBPRGKRZSA-N 316.365 -0.088 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@H]2CN(CC(=O)N(C)C)C[C@@]2(C)C1 1101233583 ODXXKMAXBUXTHH-CPUCHLNUSA-N 321.421 -0.107 30 20 DBED Cc1cc(C#N)nc(NCCN(C)C(=O)[C@@H]2COCCO2)n1 1101508730 PCNDIBYBQGQNAY-LBPRGKRZSA-N 305.338 -0.058 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)c1cnc2[nH]nnc2c1 1102017245 NFQYDTXIZOXECE-UHFFFAOYSA-N 323.320 -0.379 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](C)[C@H](CNC(=O)c2cnon2)C1 1102474891 OSJNTEQKHZZYIM-GRYCIOLGSA-N 319.365 -0.495 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H](C)CNc1cc(F)ncn1 1103956328 ONCHKBZTWCWJFT-JTQLQIEISA-N 307.329 -0.081 30 20 DBED C[C@@H](CNC(=O)[C@H]1CNC(=O)N1)CNc1cncc(C#N)n1 1104184377 XQDADLWHYSKRRU-PSASIEDQSA-N 303.326 -0.806 30 20 DBED CO[C@@H](C)C(=O)NC[C@@H]1CN(c2ccc(C#N)nn2)CCO1 1104293548 XBMCLVGKDQRJSE-CMPLNLGQSA-N 305.338 -0.295 30 20 DBED C#CCNC(=O)CC(=O)N(C)[C@@H](C)CNc1nccc(OC)n1 1104529562 IUZTXGBKWUKXQU-NSHDSACASA-N 319.365 -0.117 30 20 DBED C[C@@H](CNc1ccc(C#N)nn1)N(C)C(=O)[C@H]1C[C@H]1C(N)=O 1104826785 GLLLSCIEMKTPBV-GDPRMGEGSA-N 302.338 -0.272 30 20 DBED CC#CCNCc1cn(C2CN(C(=O)c3cccnn3)C2)nn1 1105347702 LGLNTJWYUMNRHS-UHFFFAOYSA-N 311.349 -0.122 30 20 DBED Cc1cc(C(=O)NC[C@@H](O)CN=c2cc[nH]c(C#N)n2)n[nH]1 1105727228 ITCFOUUBFUXJJC-VIFPVBQESA-N 301.310 -0.996 30 20 DBED CCc1nc(C#N)cc(NC[C@@H](O)CNC(=O)[C@H]2CCCO2)n1 1105737694 JGOVSERCLZAPEY-VXGBXAGGSA-N 319.365 -0.021 30 20 DBED CCn1nncc1C(=O)NC[C@H](O)CNc1ccc(C#N)nn1 1105822993 XYVILDVEJGZFBZ-SNVBAGLBSA-N 316.325 -0.838 30 20 DBED N#Cc1nc(=NC/C=C/CNC(=O)C[C@H]2CCC(=O)N2)cc[nH]1 1107246488 JRJGAMKELZIZLC-FMBMQGQPSA-N 314.349 -0.477 30 20 DBED CC#CCN1CCO[C@@](C)(CNC(=O)C2CN(C(C)=O)C2)C1 1107898674 IIPQTUAUTXOLTH-INIZCTEOSA-N 307.394 -0.305 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@]1(C)CN(CC#CCOC)CCO1 1107940112 OFPYUGVSAHCXEG-DOTOQJQBSA-N 322.405 -0.118 30 20 DBED C=CCCOCC(=O)NC[C@]1(C)CN([C@H](C)C(N)=O)CCO1 1108429400 HFAOCHORTLLCNS-IUODEOHRSA-N 313.398 -0.340 30 20 DBED CCNC(=O)CC(=O)N[C@@H](C)CN(C)c1cncc(C#N)n1 1108945854 YEARSQVNSAHIAN-JTQLQIEISA-N 304.354 -0.185 30 20 DBED CC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCn1ncn(C)c1=O 1109555987 NMGPMJNQSRHFIS-RDBSUJKOSA-N 317.393 -0.283 30 20 DBED C#CCNC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cc[nH]n1 1110306817 ZQZSJQCGNKVPDB-OXHZDVMGSA-N 315.377 -0.117 30 20 DBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H]1COC(=O)N1 1110506151 IIIONZYJZBBCOF-WYUUTHIRSA-N 322.365 -0.882 30 20 DBED C#CCN(C(=O)C(N)=O)C1CCN(c2ncccc2C#N)CC1 1110628964 WVHYILBWEVYMNY-UHFFFAOYSA-N 311.345 -0.131 30 20 DBED C[C@]1(NC(=O)Cn2cnnn2)CCN(c2ccc(C#N)nc2)C1 1110710440 FJBNLABRSYHXLS-AWEZNQCLSA-N 312.337 -0.275 30 20 DBED CC(=O)NCC(=O)N1C[C@H](CNc2ccc(C#N)nn2)[C@@H](C)C1 1111232169 CILPURYRZHSHRN-JQWIXIFHSA-N 316.365 -0.009 30 20 DBED CCO[C@@H]1C[C@H]1C(=O)N(CCO)CCN=c1cc[nH]c(C#N)n1 1111425365 GQJRZABLZZTAIV-VXGBXAGGSA-N 319.365 -0.572 30 20 DBED CC(C)OCC(=O)N1CCO[C@@H](CN=c2cc[nH]c(C#N)n2)C1 1111945648 QYCGELHQVLYNHW-LBPRGKRZSA-N 319.365 -0.166 30 20 DBED N#Cc1cnc(N2CCC[C@H](NC(=O)CNC(N)=O)CC2)cn1 1111966715 WXRUDPQXYNQXTN-JTQLQIEISA-N 317.353 -0.508 30 20 DBED C[C@@H](CN1CCN(C(=O)[C@H](C)C#N)CC1)CS(C)(=O)=O 1112710971 MVZKBZYPCGYBMF-NWDGAFQWSA-N 301.412 -0.029 30 20 DBED Cc1c(C(=O)N[C@@H](C)[C@@H](C)N=c2cc[nH]c(C#N)n2)nnn1C 1112948340 CYQHTIBOXPUYMI-BDAKNGLRSA-N 314.353 -0.174 30 20 DBED Cc1cc(=N[C@@H](C)[C@@H](C)NC(=O)c2nnn(C)n2)c(C#N)c[nH]1 1113258910 MJYANNSODRPTLL-VHSXEESVSA-N 314.353 -0.174 30 20 DBED Cc1cc(C#N)nc(N(C)[C@H](C)CNC(=O)CNC(N)=O)n1 1113508096 DVGLNYUELDTJNW-SECBINFHSA-N 305.342 -0.734 30 20 DBED C=CCOCCN1CCN(C(=O)Cn2nc(C)ccc2=O)CC1 1113566541 FEMLFOCRYVSUIF-UHFFFAOYSA-N 320.393 -0.101 30 20 DBED CCNC(=O)CC(=O)NC[C@H](C)N(C)c1cncc(C#N)n1 1113567163 LIIYBPXSDGFLFJ-JTQLQIEISA-N 304.354 -0.185 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)c3ccc(O)nn3)[C@H]2C1 1113809143 CGBOFOVIRYFDEY-UWVGGRQHSA-N 317.349 -0.856 30 20 DBED COCCCNC(=O)CN1C[C@H]2[C@H](NC(=O)C#CC(C)C)[C@H]2C1 1114239314 DNJDIQFGWUDRAD-HALDLXJZSA-N 321.421 -0.155 30 20 DBED N#Cc1nccnc1N1C[C@@H]2C(CNC(=O)Cn3nccn3)[C@H]2C1 1114580494 NWRBSXGDDTUMPC-VXGBXAGGSA-N 324.348 -0.562 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)c3cnc(O)n3C)[C@@H]2C1 1114665278 DYBDOVXBTXKDDW-NXEZZACHSA-N 319.365 -0.912 30 20 DBED COCC(=O)N[C@H](C(=O)NC1[C@@H]2CN(CC#N)C[C@@H]12)C(C)C 1114939832 PVQHKCRHRBDVPA-WZRBSPASSA-N 308.382 -0.656 30 20 DBED C=CCN1C[C@H]2C(NC(=O)CNC(=O)C3CCOCC3)[C@@H]2C1 1114989583 SUZQPVAWEOQADQ-CHWSQXEVSA-N 307.394 -0.238 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)Cc3ncc[nH]3)[C@H]2C1 1115016356 UVHFVGWLVUCYCY-UUIJZJDISA-N 315.377 -0.864 30 20 DBED C=CCOCC(=O)N(C)C[C@@H](C)Nc1nccn2nnnc12 1115651079 NHBKQVZWCSQQNI-SNVBAGLBSA-N 305.342 -0.019 30 20 DBED C[C@@H]1CCCN1C(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1117318740 ZYGODRSDAMUIPE-LRZCVGBLSA-N 320.349 -0.360 30 20 DBED C=CCN(CC(=O)N1CCNCC1)[C@H]1CCS(=O)(=O)C1 1118261214 QBJXSJTWZMFHOL-LBPRGKRZSA-N 301.412 -0.907 30 20 DBED CC(C)(C=NN1C(=O)[C@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C1=O)S(C)(=O)=O 1119072422 GPSWMZXPKYNLKT-IMSYWVGJSA-N 312.347 -0.266 30 20 DBED C=CCC1(O)CCN(C(=O)C(=O)N(C)CCOCCN)CC1 1119376512 UBHCZTXETWCIJJ-UHFFFAOYSA-N 313.398 -0.650 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CC[C@H](C2OCCO2)C1)[C@H]1CCCO1 1119781527 WQCOKERWEJUMKS-RWMBFGLXSA-N 322.361 -0.495 30 20 DBED CCC(=O)NCC(=O)NC[C@@H](CO)Nc1ccc(C#N)c(C)n1 1121239907 FKFBRBCEWRTDMD-LBPRGKRZSA-N 319.365 -0.323 30 20 DBED N#Cc1nc(=N[C@H](CO)CNC(=O)CCc2ccoc2)cc[nH]1 1121278510 LCZNAMQZDSFEQP-LBPRGKRZSA-N 315.333 -0.115 30 20 DBED C=C(C)CCC(=O)NC[C@@H](CO)Nc1ccc2nnnn2n1 1122158503 QXPCTIAMJWULLX-JTQLQIEISA-N 305.342 -0.235 30 20 DBED N#Cc1nccnc1N[C@@H](CO)CNC(=O)CCc1ccon1 1122236192 YBHLKGIAYWNGGW-LLVKDONJSA-N 316.321 -0.142 30 20 DBED C[C@@H]1[C@@H](NC(=O)CNC(N)=O)CCCN1c1ccnc(C#N)n1 1123514391 QXYGYBMRRRESAW-ZJUUUORDSA-N 317.353 -0.510 30 20 DBED CN(C[C@H](O)CNc1nccnc1C#N)C(=O)c1cn[nH]c1 1124179890 LCHCMMXOKXQFRC-SNVBAGLBSA-N 301.310 -0.384 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)CCc1ccncn1 1128431399 BJHLUGZKDHUBCB-LBPRGKRZSA-N 303.366 -0.747 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H](F)CN(CC)CC 1128543463 DFGZJOJJZLMNSI-OLZOCXBDSA-N 314.405 -0.490 30 20 DBED C=CCC[C@H](C)N1C[C@H](n2ccnn2)[C@H](NC(=O)C(N)=O)C1 1129210378 SJJNUUGRJAXITG-TUAOUCFPSA-N 306.370 -0.540 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)CC[C@H]1CCCN1C 1129845928 KTUVZELVZXXHNT-ZIAGYGMSSA-N 308.426 -0.296 30 20 DBED C#CCCN1CC[C@H](c2n[nH]cc2CNC(=O)CNC(N)=O)C1 1130342113 AOPTWSXKRZLHIK-NSHDSACASA-N 318.381 -0.493 30 20 DBED CC(C)(C)c1cc(C(=O)NCCNCC(=O)NCC#N)[nH]n1 1130732231 GHFZIVJKBORTIH-UHFFFAOYSA-N 306.370 -0.334 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H]2C[C@@H]3CN(C(C)C)C[C@]2(C1)O3 1131220106 IJTAPZMRCQGBQU-CKEIUWERSA-N 319.405 -0.164 30 20 DBED C=CCCN1CCNC(=O)CCN(C(=O)[C@@H](C)CC(N)=O)CC1 1131373961 GSZOXYMNRWXLEN-ZDUSSCGKSA-N 324.425 -0.276 30 20 DBED CNC(=O)NCC(=O)N1C[C@@H](C)O[C@]2(CCN(CC#N)C2)C1 1131666471 PHDSWEOLYPHYMD-RISCZKNCSA-N 309.370 -0.869 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)c2cccc(=O)n2C)C1=O 1133642946 CRKAXAPTWKQCNG-GFCCVEGCSA-N 318.377 -0.508 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)CCc1cc(C)on1 1133673219 BPIDMHACIPTDMC-GFCCVEGCSA-N 306.366 -0.241 30 20 DBED Cc1ncncc1C(=O)N[C@H](C)C[C@@H](C)NCC(=O)NCC#N 1133813110 UZZJTOKVHAKERV-GHMZBOCLSA-N 318.381 -0.089 30 20 DBED C[C@H](C[C@@H](C)NC(=O)CCc1cnn[nH]1)NCC(=O)NCC#N 1135496984 OTNGKTJKZPTPGX-GHMZBOCLSA-N 321.385 -0.750 30 20 DBED CC1(C)C[C@@H]1C(=O)NC[C@H]1CN(CC(=O)NCC#N)CCCO1 1149541703 SQUJYUZCTAKHGW-QWHCGFSZSA-N 322.409 -0.121 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)COC2CCN(C)CC2)C1 1150508525 VHLYAMMEEYTGGD-INIZCTEOSA-N 323.437 -0.063 30 20 DBED C[C@@H](CS(C)(=O)=O)C(=O)NC[C@H]1CN(CC#N)CCCO1 1150787350 MDLASKSFPGDJHS-RYUDHWBXSA-N 317.411 -0.602 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)CNC(=O)[C@H](C)CC 1151346730 WFXSRXHIKJHKNW-VXGBXAGGSA-N 312.414 -0.455 30 20 DBED C=CCCOCC(=O)NCCNCCOCCNC(C)=O 1153085429 AJDFPOGPYLZUJP-UHFFFAOYSA-N 301.387 -0.562 30 20 DBED C#CCN(CC)[C@H](C)CNC(=O)CN(C)S(=O)(=O)N(C)C 1153312568 KXATVBGNVWDXGJ-GFCCVEGCSA-N 318.443 -0.816 30 20 DBED C=C(C)CN(CC)[C@H](C)CNC(=O)Cn1cnc(C(N)=O)n1 1153446543 XXVXLZCGFQEDQI-LLVKDONJSA-N 308.386 -0.220 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@H](C)NC(=O)C1CCC1 1153700347 UDKAJKCKSSKVTJ-RYUDHWBXSA-N 322.409 -0.865 30 20 DBED C#CCNC(=O)CNCCCNC(=O)CCc1cnn(C)c1C 1158983787 PINOXOHJBLMNTE-UHFFFAOYSA-N 319.409 -0.494 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@H]1CCn2ccnc2C1 1161309360 MFZKRRZTOVITOA-ZDUSSCGKSA-N 317.393 -0.709 30 20 DBED N#CCNC(=O)CNCCCNC(=O)c1cccc2c[nH]nc12 1163709683 PMQMOGQXHBXAKA-UHFFFAOYSA-N 314.349 -0.088 30 20 DBED C=C(C)CN1CCO[C@H]2CCN(C(=O)CNC(=O)NC)C[C@H]21 1177024604 JCZIZBKPVZGZHV-OLZOCXBDSA-N 310.398 -0.207 30 20 DBED C#CCCN1CCO[C@@H]2CCN(C(=O)C(=O)NCC3CC3)C[C@H]21 1177124979 LXEYAONJLUNDFK-HUUCEWRRSA-N 319.405 -0.162 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@@H](C)NC(=O)C1CCC1 1177486873 IHYMCKBCNAEGSP-GFCCVEGCSA-N 324.425 -0.311 30 20 DBED C#CCNC[C@H]1CN(C(=O)[C@@H]2CCC(=O)N2)CC12CCOCC2 1186560604 AXSIDUCXZIHNAY-KBPBESRZSA-N 319.405 -0.257 30 20 DBED COC[C@H](C)C(=O)N1CC[C@H]2CN(CC(=O)NCC#N)C[C@H]21 1187296387 NAOBUXBJKGQCLH-RWMBFGLXSA-N 308.382 -0.559 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2cnn3cc[nH]c23)C1 1187385348 WBWLZBNNZPSLHZ-LLVKDONJSA-N 314.349 -0.784 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N(C)C2)C1 1188165812 OJCOJQOEOLUNCA-ZIAGYGMSSA-N 307.394 -0.305 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H]2CCN(C(=O)c3cnco3)[C@@H]2C1 1188706031 HJGDLJOFQGZORW-FRRDWIJNSA-N 316.361 -0.041 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)c2ccccc2)C1 1190717625 LXAJLRDOBWMKQL-BPLDGKMQSA-N 315.373 -0.401 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CN(CC(=O)NC2CCCCC2)C[C@H]1O 1191854764 ROXPEXMBGBXHQH-IACUBPJLSA-N 322.409 -0.244 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CN(CC(=O)NCc2ccco2)C[C@H]1O 1191865017 RMRVEHKMBYRCMX-CYZMBNFOSA-N 320.349 -0.783 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)C#CC(C)(C)C)C1 1192814010 UUZSKNJAPZIXDO-MGPQQGTHSA-N 319.405 -0.665 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2nccn2C)C[C@H]1O 1192844550 XUGGGSWFQPWDPK-JHJVBQTASA-N 306.366 -0.880 30 20 DBED C=C[C@](C)(O)CC(=O)N1CCCN(CC(=O)NC(N)=O)CC1 1195651899 DIZRDMGMVIXSSV-AWEZNQCLSA-N 312.370 -0.957 30 20 DBED C#CCCCC(=O)N1CCC(N[C@@H](C)C(=O)NC(N)=O)CC1 1200317011 HIIHVFWDEFZNRZ-NSHDSACASA-N 308.382 -0.046 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)c2ccncn2)CCCO1 1201679769 YYGYEYCMPSJBNI-CQSZACIVSA-N 318.377 -0.053 30 20 DBED C#Cc1ccc(C(=O)N2CCCO[C@@H](CNCC(N)=O)C2)nc1 1201891470 MJJMSUPOZHFBOW-ZDUSSCGKSA-N 316.361 -0.631 30 20 DBED C#CCNCC1CCN(C(=O)[C@@H]2CN(C(C)=O)CCO2)CC1 1206905828 PTSFGRPWIGZSEE-HNNXBMFYSA-N 307.394 -0.305 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)c2cnnc(O)c2)C1 1208380403 DQXJNDCMQKYWSF-LBPRGKRZSA-N 319.365 -0.321 30 20 DBED CC#CCN1C[C@@H](NC(=O)C(C)(C)NS(C)(=O)=O)[C@H](C)C1 1209284100 WWOGCJXLXSCYID-VXGBXAGGSA-N 315.439 -0.226 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)C[C@@H](C)OC)[C@H](OC)C1 1212009754 VIJIBYKHDQLKDK-JHJVBQTASA-N 313.398 -0.471 30 20 DBED C#CCCN1C[C@@H](NC(=O)CCS(C)(=O)=O)[C@H](OC)C1 1212476827 DUFAVCIBVBTSLP-VXGBXAGGSA-N 302.396 -0.740 30 20 DBED C[C@@H]1CN(C(=O)CCn2ccnc2)C[C@H]1NCC(=O)NCC#N 1215269020 HXYZZKAPOYQTHG-CHWSQXEVSA-N 318.381 -0.651 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)[C@H]2CCCC(=O)N2)C1 1219853012 ALSOSWROFNFPPI-UPJWGTAASA-N 311.382 -0.981 30 20 DBED C[C@@H](CC(F)F)C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@@H]1O 1220027582 JALJAOSLSHANRQ-AEJSXWLSSA-N 318.324 -0.921 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)CNC(=O)C2CCCCC2)C1 1220904648 VLWASZBXTCWNTK-CABCVRRESA-N 321.421 -0.133 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CCN(C(=O)c3ccon3)C[C@@H]21 1222325801 BNGHPMDRBHTSPO-OCCSQVGLSA-N 316.361 -0.040 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CCCC[C@H]1NC(=O)CNC(C)=O 1224546552 ISHUNLPICYYEIS-MRVWCRGKSA-N 324.425 -0.170 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)[C@@H]2C[C@H]2C(=O)OC)CC1 1226472135 YEAPFWUBOGNRGE-CHWSQXEVSA-N 323.393 -0.322 30 20 DBED C#CCO[C@H](C)C(=O)NC1CCN([C@H]2CCC(=O)NC2=O)CC1 1227341725 AODJEYMGJALTIF-YPMHNXCESA-N 321.377 -0.590 30 20 DBED COCC#CCN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[C@H]1C(N)=O 1228617898 FJVZZNMICPVTTK-XJFOESAGSA-N 307.394 -0.225 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)C[C@@H]1CCN1CC(=O)NCC=C 1234214952 GHNFQCWSLDTTET-KBPBESRZSA-N 307.394 -0.140 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C[C@H](O)COC 1235453870 HUOLHMNRGNGFAK-JYJNAYRXSA-N 323.437 -0.376 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N[C@@H](C)c1nnc2n1CCC2 1256954919 BJYQWXIFZOMAHZ-VHSXEESVSA-N 307.354 -0.281 30 20 DBED COC[C@@H](CS(=O)(=O)NC1CCN(CC#N)CC1)OC 1262029453 YXDNKRMLOGWYQV-LBPRGKRZSA-N 305.400 -0.445 30 20 DBED C=CCC1(O)CCN(C(=O)C(=O)NC[C@@H](COC)OC)CC1 1262134762 GUZZRFOSHYWBLR-LBPRGKRZSA-N 314.382 -0.306 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)[C@H]2CCNC(=O)C2)C1 1265278322 DJENFHCWFKCYPG-RYUDHWBXSA-N 308.382 -0.995 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@@H](NC(=O)c2ccnc(O)c2)C1 1318326471 PNRAFYHWMBVYJQ-DGCLKSJQSA-N 316.361 -0.271 30 20 DBED N#CCNC(=O)CNC(=O)C[C@H](NC(N)=O)c1ccccc1 1322531928 DEMQSHPFJXKCBP-NSHDSACASA-N 303.322 -0.458 30 20 DBED Cn1cc(N2CC[C@@H](NC(=O)C(=O)NCCCC#N)C2=O)cn1 1323071463 ZEPOMPMPGUYEOM-LLVKDONJSA-N 318.337 -0.938 30 20 DBED COC(=O)C1(NC(=O)C(=O)Nc2cc(C)n(CCC#N)n2)CC1 1323105613 XQWBXAYYKOHJPY-UHFFFAOYSA-N 319.321 -0.135 30 20 DBED CN1CCC2(CCN(C(=O)NCC(=O)NCC#N)CC2)C1=O 1325035300 ZWHYPGSYGOMMJZ-UHFFFAOYSA-N 307.354 -0.720 30 20 DBED CC#CC[C@@H](CO)NC(=O)Cn1nc2n(c1=O)CCCCC2 1326382881 QQETZDPBHIFZDT-LBPRGKRZSA-N 306.366 -0.338 30 20 DBED Cc1ncc(CNC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)s1 1326871072 YWQKRCUQKLILJZ-ZDUSSCGKSA-N 308.363 -0.055 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N[C@@H]1CCN(C(=O)OCC)C1 1327439186 WTBPQDBPJJGVON-CYBMUJFWSA-N 319.361 -0.182 30 20 DBED C[C@@]1(C#N)CCCN(C(=O)C(=O)NCCS(C)(=O)=O)C1 1327769213 KBGCAOWOQIGQEU-LBPRGKRZSA-N 301.368 -0.701 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N(C[C@@H](C)O)C2CC2)nn1 1329213212 VETMKINDKOBILE-SNVBAGLBSA-N 307.354 -0.548 30 20 DBED C#C[C@@H](NC(=O)C(=O)N1CCC[C@H](C(=O)O)C1)[C@H]1CCCO1 1331508958 PUDGHEURVKOSJA-QJPTWQEYSA-N 308.334 -0.393 30 20 DBED N#Cc1cccnc1NCCNC(=O)C(=O)NCCOCCF 1334352267 NRSDNAYQSVNROI-UHFFFAOYSA-N 323.328 -0.416 30 20 DBED C[C@@]1(C#N)CCCN(C(=O)C(=O)NCC(=O)N2CCOCC2)C1 1346244386 XPYQFNAOPOJHNP-HNNXBMFYSA-N 322.365 -0.886 30 20 DBED C#CCN1CCN(c2nnc([C@@H]3CC(=O)N(C)C3)n2C)CC1 1350516297 AQDPNDQTZDYPSD-GFCCVEGCSA-N 302.382 -0.484 30 20 DBED N#CCOc1ccccc1C(=O)N1C[C@@H](C(N)=O)[C@H](C(N)=O)C1 1362714096 YYXPPQXOQXWUBR-GHMZBOCLSA-N 316.317 -0.752 30 20 DBED N#C[C@H]1CN(S(=O)(=O)N2CC[C@@H](c3nc[nH]n3)C2)CCO1 1365725660 VSBXRGBOZHSTDS-ZJUUUORDSA-N 312.355 -0.937 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1C[C@@H](NC(=O)[C@H]2CCCC(=O)N2)C1 1371707705 TVOHZVPHWZIXMF-NNYUYHANSA-N 306.366 -0.174 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CN(C)C(=O)CC1OCCCO1 1382970075 QDFCZDYHNSESML-QWRGUYRKSA-N 313.354 -0.765 30 20 DBED CCS(=O)(=O)CC(=O)NC[C@H]1C[C@@H](NC(=O)[C@H](C)C#N)C1 1384485246 DGLISOSIAZDUCM-MXWKQRLJSA-N 315.395 -0.408 30 20 DBED CN(CCNC(=O)CS(C)(=O)=O)C(=O)c1ccc(C#N)[nH]1 1415459211 JECOEFQKOPJWLU-UHFFFAOYSA-N 312.351 -0.881 30 20 DBED CCN(CCNC(=O)CS(=O)(=O)CC)C(=O)[C@@H](C)C#N 1415682574 NIIGYUUKLIRMRE-JTQLQIEISA-N 303.384 -0.455 30 20 DBED CNS(=O)(=O)CC(=O)NC1CN(Cc2ccccc2C#N)C1 1419000588 XGNVRUMZPAKGAY-UHFFFAOYSA-N 322.390 -0.592 30 20 DBED CCN(CCN[C@H](C)C(=O)NC(=O)NC1CC1)C(=O)[C@H](C)C#N 1422429533 SWZOUUFNECOUCH-GHMZBOCLSA-N 323.397 -0.039 30 20 DBED C[C@H](C#N)C(=O)N1CCCO[C@H](CNC(=O)Cc2ncc[nH]2)C1 1426302262 OWEJGWSTMDVZFS-VXGBXAGGSA-N 319.365 -0.154 30 20 DBED COCCN(CCNC(=O)[C@@H]1CCC(=O)NC1)C(=O)[C@H](C)C#N 1428411411 MZQAZTTWNMEPPZ-VXGBXAGGSA-N 324.381 -0.737 30 20 DBED COC[C@H](OC)C(=O)N1CCC2(CN(C(=O)[C@@H](C)C#N)C2)C1 1428606669 RBJVWXVHXIRXTF-RYUDHWBXSA-N 309.366 -0.132 30 20 DBED C[C@H](C#N)C(=O)N[C@H](CNC(=O)CCS(C)(=O)=O)C1CC1 1430002112 FKWSRGYBNNFIOU-MWLCHTKSSA-N 315.395 -0.408 30 20 DBED CC(=O)N1CCC[C@H](C(=O)N(C)CCNC(=O)[C@H](C)C#N)C1 1455434516 OEAMUDIVFPIRNX-YPMHNXCESA-N 308.382 -0.021 30 20 DBED COC(=O)NCC(=O)N1CCC(C)(NC(=O)[C@H](C)C#N)CC1 1459321177 KEPLGJSHTBXSMB-SNVBAGLBSA-N 310.354 -0.001 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)[C@@H](C)n2cccn2)C1 1490523066 NKSHIPJPPNWRML-OLZOCXBDSA-N 305.382 -0.063 30 20 DBED N#Cc1ccc(C(=O)NC2(CNC(=O)Cc3nc[nH]n3)CC2)[nH]1 1536023219 MZNMMDMLGNTZTG-UHFFFAOYSA-N 313.321 -0.374 30 20 DBED C=C(C)C[C@H](NC(=O)c1cn(C[C@@H]2CNC(=O)O2)nn1)C(=O)O 1573324846 ZXBJUMSUOYPXHH-IUCAKERBSA-N 323.309 -0.464 30 20 DBED C=CCOCC(=O)N1CC[C@H](N=c2cc[nH]c(C(=O)O)n2)C1 1573369461 TZJOYERTEXROQF-JTQLQIEISA-N 306.322 -0.188 30 20 DBED CC1(C)CN(c2cnc(C#N)c(-c3nn[nH]n3)n2)C[C@H](CO)O1 1575727369 VZYWXOUVEZIFDV-MRVPVSSYSA-N 316.325 -0.496 30 20 DBED CN(C[C@@H](O)CNCc1cnn[nH]1)C(=O)c1c[nH]c(C#N)c1 1576774282 OKDSZKDLJRMZLY-LBPRGKRZSA-N 303.326 -0.773 30 20 DBED C#C[C@@H]1CCCCN1C(=O)C(=O)N1C[C@@H](C(=O)O)O[C@H](C)C1 1588381861 CAECYHBBPCLBEZ-UTUOFQBUSA-N 308.334 -0.299 30 20 DBED C#CC[C@H](NS(=O)(=O)c1cc(C(=O)OC)ccn1)C(=O)O 1588423246 AJYOIOZEYFZLBB-VIFPVBQESA-N 312.303 -0.377 30 20 DBED C#CCN(C(=O)c1cc(C(=O)O)on1)[C@H]1CCS(=O)(=O)C1 1588461644 WLTNSUPCVVJWBF-QMMMGPOBSA-N 312.303 -0.365 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)O[C@@H](C)C(=O)NCC(=O)O 1588547223 ICUKVGWYKBXTKQ-WCBMZHEXSA-N 300.311 -0.410 30 20 DBED C=C(CN(C)C)C(=O)NC[C@]1(C(=O)O)C[C@@H]1S(C)(=O)=O 1588636348 CMYMHTSFLAKYBF-JOYOIKCWSA-N 304.368 -0.892 30 20 DBED C=CCOCCNCCNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 1588683310 QMICVRNTTVINBR-UHFFFAOYSA-N 305.342 -0.283 30 20 DBED C=CCN1CC[C@@H](N(C)Cn2nc(C(=O)O)ccc2=O)C1=O 1588840127 ZVLGDODENZDUMK-LLVKDONJSA-N 306.322 -0.382 30 20 DBED COC(=O)c1cc(Cn2cnc(-c3nn[nH]n3)c2C#N)on1 1591288634 FACFVUCAXQPLLM-UHFFFAOYSA-N 300.238 -0.242 30 20 DBED C[C@H]1CN(C(=O)NCCn2cnc(C#N)n2)C[C@@H](C(=O)O)O1 1599921251 ZNUAGGWYGVBPEY-IUCAKERBSA-N 308.298 -0.967 30 20 DBED N#Cc1nc(=N[C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@@H]3C(=O)O)C2)cc[nH]1 1601134047 FNWKPTWQOFIVQJ-YTWAJWBKSA-N 315.333 -0.202 30 20 DBED CNS(=O)(=O)CCNc1c(C#N)cccc1-c1nn[nH]n1 1609289863 GLNAZYAIMCYNFM-UHFFFAOYSA-N 307.339 -0.301 30 20 DBED N#Cc1nc(NC(=O)C[C@@H]2CCCC(=O)N2)[nH]c1-c1nn[nH]n1 1609496396 JOXCHEQLVKYFKG-LURJTMIESA-N 315.297 -0.541 30 20 DBED Cc1onc(CC(=O)N2CCNC(=O)[C@H]2CC(=O)O)c1C#N 1610589034 XBJBVLXBTFNTDJ-SNVBAGLBSA-N 306.278 -0.801 30 20 DBED CN1CC(=O)N(CC(=O)N2CCCC[C@H]2CNCC#N)C1=O 1690485780 FHGXWLKSEZKSJH-NSHDSACASA-N 307.354 -0.625 30 20 DBED C#CCNC(=O)CNC[C@@H]1CCCN(C(=O)[C@@H]2CCN(C)C2)C1 1752812147 IHVGMWSAONRQCV-LSDHHAIUSA-N 320.437 -0.484 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H](C)CNC(=O)c1ccc(O)nn1 1752859265 YWJFDJUPPZRCCE-UWVGGRQHSA-N 305.338 -0.972 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@@H](C)NCc1nnn(C)n1 1752902626 FOCWZYJQQYKEEE-PWSUYJOCSA-N 323.401 -0.725 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCN(C)Cc1cnnn1CC 1753051451 CYCNETXVNYBFBP-HNNXBMFYSA-N 318.425 -0.056 30 20 DBED CCN(CC#CCOC)CCNC(=O)C(C)(C)S(C)(=O)=O 1753090881 BPBQRRUSIWLWSQ-UHFFFAOYSA-N 318.439 -0.103 30 20 DBED C=CCOCCN1CC(NC(=O)[C@@H]2CCCS2(=O)=O)C1 1753400394 WONWZEMTIYREFL-LBPRGKRZSA-N 302.396 -0.433 30 20 DBED COCC#CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cnnc(O)c1 1753422154 LDZAEIOBGCOGJO-STQMWFEESA-N 302.334 -0.269 30 20 DBED C#CCNC(=O)CNC[C@](C)(NC(=O)[C@@H]1[C@H]2COC[C@H]21)C1CC1 1753524121 XHMGVMMEYIGAAJ-SHFYGJNESA-N 319.405 -0.497 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H]1CN(Cc2n[nH]c(C)n2)CCO1 1753648746 MJKYGCPGUNBYNE-AAEUAGOBSA-N 321.381 -0.532 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@H](C)N(C)C(=O)c1ncn(C)n1 1753689154 IAMTXVHNXJXLJR-QWRGUYRKSA-N 306.370 -0.997 30 20 DBED COCC#CCNC[C@H](O)CNC(=O)c1ccc2nonc2c1 1753926190 SUSLUOOXOWJWPJ-LBPRGKRZSA-N 318.333 -0.447 30 20 DBED Cc1c(C(=O)NCC2(NCC(=O)NCC#N)CC2)cnn1C 1754508702 WINUSAMAYIXFHI-UHFFFAOYSA-N 304.354 -0.780 30 20 DBED C#CCN1CCC(N(CC#C)C(=O)Cn2ncn(C)c2=O)CC1 1754638815 LUOUVEFLGQIFPQ-UHFFFAOYSA-N 315.377 -0.859 30 20 DBED C=C(C)CN1CC(O)(CNC(=O)Cn2ccc(C)cc2=O)C1 1754775104 IGAUPYPNOZEJCN-UHFFFAOYSA-N 305.378 -0.104 30 20 DBED N#CCNC(=O)CNC[C@H]1CN(C(=O)c2ccccc2)CCO1 1754994379 FUPICGGKBASYBW-AWEZNQCLSA-N 316.361 -0.243 30 20 DBED C=CCn1cc(C(=O)N(C)[C@@H](CNCC(N)=O)C2CC2)nn1 1755570034 SNVZMUNVKRSLBJ-LBPRGKRZSA-N 306.370 -0.610 30 20 DBED COc1nccc(CNC[C@H](O)CN(C)C(=O)C#CC2CC2)n1 1755778629 YMUSZFXUSNKKSX-AWEZNQCLSA-N 318.377 -0.193 30 20 DBED C[C@H](CNC(=O)C#CC1CC1)N(C)C(=O)CN1CCOCC1 1756024272 MIJXZCFCMZXFCK-CYBMUJFWSA-N 307.394 -0.305 30 20 DBED C=CCOCC(=O)NC1(CCO)CN(C(=O)c2cc(C)no2)C1 1756078669 WIMXPTNWQYUJIT-UHFFFAOYSA-N 323.349 -0.121 30 20 DBED C#CCCCCC(=O)N1CC([C@H](C)NC(=O)Cn2ncnn2)C1 1756143492 QLMRKXMRABQEIO-LBPRGKRZSA-N 318.381 -0.170 30 20 DBED COC(=O)NCC(=O)N1C[C@H]2CC[C@H]1CN2C(=O)C#CC1CC1 1756163351 UKTXBKGIAUPGCQ-OLZOCXBDSA-N 319.361 -0.042 30 20 DBED C[C@@H]1C[C@H](NC(=O)C2(NC(N)=O)CC2)CN1C(=O)C#CC1CC1 1756588151 OBGDMFBRLBIZLF-PWSUYJOCSA-N 318.377 -0.294 30 20 DBED CC#CCCCC(=O)NC[C@@H](O)CN(C)C(=O)[C@H]1CCC(=O)N1 1756657481 YGFOFUQBAACMRO-CHWSQXEVSA-N 323.393 -0.606 30 20 DBED C=CCO[C@@H](C)C(=O)NC[C@@H](O)CN(C)C(=O)c1[nH]cnc1C 1756668239 FSEZHDPFMPPSER-NWDGAFQWSA-N 324.381 -0.142 30 20 DBED N#Cc1ccc(CNC(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)nc1 1771701478 CPILSVLLQXZKER-NEPJUHHUSA-N 303.322 -0.215 30 20 DBED C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)n3ccnn3)C2)C1 1782762396 HUCCPEJGQKUNKR-SWLSCSKDSA-N 317.349 -0.698 30 20 DBED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3c[nH]nc3C)[C@H]2C1 1789317064 FHKILSBCBBXUQJ-UBHSHLNASA-N 316.361 -0.055 30 20 DBED CN(C)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC#N)C2 1795181802 CTUBXABHHSVHJP-JJLQDPRZSA-N 308.382 -0.559 30 20 DBED C=CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(N)=O)C2 1801001446 QFFBHAFFYSSXOB-QHBPRCKVSA-N 309.366 -0.582 30 20 DBED CC(=O)C(=O)N1CCCC2(CCN(C(=O)C#CC(=O)O)CC2)C1 1808991727 BGHVIIBZMUIRAL-UHFFFAOYSA-N 320.345 -0.105 30 20 DBED CC(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1835198905 ZQHSXBHAITYIDE-HNNXBMFYSA-N 307.350 -0.234 30 20 DBED COC[C@@H](C)C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1841664901 IKZXIACSVQWMJH-LLVKDONJSA-N 308.334 -0.440 30 20 DBED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)[C@H]1CCOC1)C2 1846197240 JNOMBSQXLAHTNV-NSHDSACASA-N 306.318 -0.686 30 20 DBED O=C(O)C#CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(=O)C1CC1 1847519585 SWYLDKWPQWYPCX-QWRGUYRKSA-N 304.302 -0.745 30 20 DBED Cc1nnc(N2CCC[C@H](CNS(N)(=O)=O)C2)c(C#N)c1C 76269979 DJEZZJPDLNBZCD-LLVKDONJSA-N 324.410 -0.025 30 20 DBED N#CCN1CCN(C(=O)CSc2nnnn2C2CC2)CC1 265761021 LXKUJTYVVPYLGH-UHFFFAOYSA-N 307.383 -0.232 30 20 DBED N#C[C@@H]1COCCN1C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 266067827 HULYKZBYWQCZEY-LLVKDONJSA-N 322.346 -0.765 30 20 DBED C[C@H]1CN(C)CC[C@@H]1N(C)c1c(C#N)c(=O)n(C)c(=O)n1C 267550888 DGRZSFHFIDTAHL-JQWIXIFHSA-N 305.382 -0.268 30 20 DBED C=CCNS(=O)(=O)c1ccc(C(=O)NC(CO)CO)cc1 271288387 LQHORBRWDRIUKH-UHFFFAOYSA-N 314.363 -0.766 30 20 DBED N/C(=N\CCCOCCO)N1CCN(c2ncccn2)CC1 272427647 RHSGZEKJFBUTOK-UHFFFAOYSA-N 308.386 -0.688 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCc2cccn2C)C1=O 284087456 OXESLLALWSCTGF-CYBMUJFWSA-N 318.377 -0.113 30 20 DBED C=CCNC(=O)CN1C(=O)N[C@@](C)(CCC(=O)OCC)C1=O 286369813 CQAPHUQEOUQHOG-AWEZNQCLSA-N 311.338 -0.058 30 20 DBED CCOC(=O)CO/N=C(/C(=O)NC[C@@H](O)CC)c1cc[nH]n1 293759340 UBSIHCOBHJCQTN-NXVNHVPESA-N 312.326 -0.419 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)NCC1(CO)CCOCC1 330371245 IECABWLVPOOYNY-NSHDSACASA-N 305.400 -0.299 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1CC[C@H](C)[C@H]1CO 330372032 ABMCGSWIXWEKLU-NWDGAFQWSA-N 305.400 -0.204 30 20 DBED CC(C)(C)NC(=O)[C@@H]1CSCN1C(=O)Cn1cnc(C#N)n1 331157730 QEIYXCGKUCYQGF-VIFPVBQESA-N 322.394 -0.034 30 20 DBED CC1CCN(CCNS(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 336927152 XUJRQWCOEIJEOE-ZDUSSCGKSA-N 316.427 -0.223 30 20 DBED COCCOC[C@@H](C)NS(=O)(=O)N1CCO[C@H](C#N)C1 337087322 FXMHZQZGAGWDFU-GHMZBOCLSA-N 307.372 -0.903 30 20 DBED COCCN(CCC#N)S(=O)(=O)NC[C@@H]1CC[C@@H](O)C1 337130268 BVYPLXDWUICNTC-VXGBXAGGSA-N 305.400 -0.156 30 20 DBED C=CCCOCCNC(=O)NCCS(=O)(=O)NC1CC1 339861185 ZKDRFGAKWCZBKX-UHFFFAOYSA-N 305.400 -0.040 30 20 DBED COC[C@H](NC(=O)NCCn1cnc(C#N)n1)[C@H]1CCCO1 346320318 MKKUVKGTNURMHP-WDEREUQCSA-N 308.342 -0.357 30 20 DBED C=C[C@@H](CO)NC(=O)Nc1nnc(CCC(=O)OC)s1 350187205 VCXLXEXHUCKIEP-ZETCQYMHSA-N 300.340 0.312 30 20 DBED CCOC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(F)cc1C#N 351958008 LOKZTGMWESXNOS-SNVBAGLBSA-N 316.310 -0.100 30 20 DBED CCO[C@H]1C[C@@](O)(CNC(=O)NCC(=O)NCC#N)C1(C)C 358312541 MIFPSJPGIIUTLB-IINYFYTJSA-N 312.370 -0.509 30 20 DBED N#CCNS(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1 359483549 PABNCXOGUMKOES-UHFFFAOYSA-N 315.376 -0.071 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1CCN([C@@H]2CCOC2)CC1 367400399 BWQDEHINAWEKSK-QWHCGFSZSA-N 310.398 -0.207 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N[C@]1(C)CCS(=O)(=O)C1 407951914 DOQPRBFYRAFDFO-VHSXEESVSA-N 309.413 -0.511 30 20 DBED CC(C)NC(=O)CN1CCN(C(=O)[C@@H](N)CCCC#N)CC1 424130961 FWEHBRBSCYEMQF-ZDUSSCGKSA-N 309.414 -0.324 30 20 DBED COC(=O)[C@@H]1CCO[C@H]1C1CCN(CC(=O)NCC#N)CC1 428722811 YFHPOEIORGKWRO-OCCSQVGLSA-N 309.366 -0.084 30 20 DBED CC[C@@H](CC#N)NS(=O)(=O)CCCS(=O)(=O)N(C)C 447760287 YYUMHGOCTFYIBP-JTQLQIEISA-N 311.429 -0.120 30 20 DBED C#CCNC(=O)CN1CCN(CCN2C[C@@H]3CC[C@H](C2)O3)CC1 491096107 PFOVHAUHVYOBBH-IYBDPMFKSA-N 320.437 -0.783 30 20 DBED C#CCN(C)CCCNC(=O)N[C@H]1CCc2nnnn2CC1 491483509 CBEFYLZMPXITID-LBPRGKRZSA-N 305.386 -0.368 30 20 DBED C=CCN(C(=O)c1ccc2nnnn2c1)[C@H]1CCS(=O)(=O)C1 531554059 LMUOVRSFRRIMRQ-NSHDSACASA-N 321.362 -0.060 30 20 DBED N#CCNC(=O)CNC(=O)[C@@]1(O)CCN(Cc2ccccc2)C1 553309603 UNKIEKSRRRXMQQ-MRXNPFEDSA-N 316.361 -0.621 30 20 DBED C=CCOc1cccnc1C(=O)NCC(=O)N1CCNCC1 566556786 YHNXELROVMTGEB-UHFFFAOYSA-N 304.350 -0.192 30 20 DBED N#Cc1cccc(NC(=O)C(=O)N2CCN(C(=O)C3CC3)C2)n1 567832738 LSMYFBUQCRQCHR-UHFFFAOYSA-N 313.317 -0.070 30 20 DBED N#Cc1ncn(CCNC(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@H]2[C@H]4O)n1 574110795 PDYUNBWEBDWUQN-DQYMBCKPSA-N 302.338 -0.440 30 20 DBED CC(C)(NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(N)=O 576109804 BRGPDOHJNRYDSN-UHFFFAOYSA-N 324.362 -0.783 30 20 DBED CN(C)C[C@H](CO)NC(=O)CNC(=O)c1ccc(C#N)cc1 588867052 VYRPFUFYKLUDQK-CYBMUJFWSA-N 304.350 -0.673 30 20 DBED CS(=O)(=O)N1CCC[C@H]1C(=O)N1CC[C@](O)(CC#N)C1 592838105 IXMAQRGMBIRDLR-CMPLNLGQSA-N 301.368 -0.713 30 20 DBED Cn1c(N2CC[C@@H]3NC(=O)CC[C@@H]3C2)c(C#N)c(=O)n(C)c1=O 596457075 CYHPFERKTQADLL-KOLCDFICSA-N 317.349 -0.939 30 20 DBED C[C@H]1CCN(C(=O)C(=O)Nc2ccn(CCC#N)n2)C[C@H]1CO 598664435 GOZAWZRJFKOSKT-RYUDHWBXSA-N 319.365 0.212 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@@H](O)CC(=O)OC 599463017 UQTCJIFCSHOZAU-ZJUUUORDSA-N 307.372 -0.774 30 20 DBED CN(CCNS(=O)(=O)N1CCO[C@@H](C#N)C1)CC(F)F 599518832 HOAJCWDWTBCGNV-VIFPVBQESA-N 312.342 -0.758 30 20 DBED N#Cc1ccccc1OCC(=O)N(CCO)CCOCCO 600123016 FGOPBRNSDSVMNJ-UHFFFAOYSA-N 308.334 -0.233 30 20 DBED C=C[C@](C)(O)C(=O)N1CCC(N2CCS(=O)(=O)CC2)CC1 613322974 BEVLMLIOIHWVLC-AWEZNQCLSA-N 316.423 -0.355 30 20 DBED N#Cc1ccc(CN2CCN(CC(=O)NCC(=O)O)CC2)cc1 739117055 IFWOCEHLGAMXEC-UHFFFAOYSA-N 316.361 -0.123 30 20 DBED CNC(=O)CNC(=S)NN=Cc1cn(-c2ccccc2)nn1 755709826 SQBQGQOZWQKDFT-UHFFFAOYSA-N 317.378 -0.189 30 20 DBED C=CCS(=O)(=O)NC(=O)CCCN1C(=O)NC(C)(C)C1=O 772722703 BBXFWUSLKQDDIO-UHFFFAOYSA-N 317.367 -0.271 30 20 DBED CNC(=O)[C@H]1CN(C(=O)COc2cccc(C#N)c2)CCO1 782043326 ZSKCYFXDTGKMER-CYBMUJFWSA-N 303.318 -0.090 30 20 DBED C=C[C@@](C)(CCOC)C(=O)NS(=O)(=O)N1CCOCC1 783098350 MNPUJWBANQUBHE-LBPRGKRZSA-N 306.384 -0.092 30 20 DBED CCOC(=O)CN(C)C(=O)COC(=O)C1(C#N)CCOCC1 784189627 SRNPYMMCQDQOPW-UHFFFAOYSA-N 312.322 -0.129 30 20 DBED N#CCCNC(=O)COC(=O)CNC(=O)c1cccc(O)c1 785698269 NJXBGNUBNIFLLR-UHFFFAOYSA-N 305.290 -0.305 30 20 DBED C#CCCS(=O)(=O)NC[C@H]1CCC[C@]12NC(=O)N(C)C2=O 808299828 RBJXKMFUNQTAOS-MFKMUULPSA-N 313.379 -0.350 30 20 DBED COC(=O)[C@@H]1[C@H]2CN(S(=O)(=O)c3ccc(C#N)nc3)C[C@H]21 813741737 KOKJVRGBGHMEID-GDNZZTSVSA-N 307.331 -0.007 30 20 DBED C#CCC[C@@H](O)CNC(=O)[C@H](CO)NC(=O)c1cccc(F)n1 846064928 OOKNGNNGAZKGRL-PWSUYJOCSA-N 323.324 -0.798 30 20 DBED CN(C(=O)[C@H]1CCNC1=O)[C@H]1CCN(C(=O)C#CC2CC2)C1 937350290 SETVLIBHMNNXHU-STQMWFEESA-N 303.362 -0.405 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](NC(=O)c2ccc(C(N)=O)nc2)C1 938198598 XTNTYWXWWAPJSN-KOLCDFICSA-N 315.333 -0.329 30 20 DBED C#Cc1cncc(C(=O)N(C)[C@@H]2CCN(C(=O)C(N)=O)C2)c1 939377496 YSCRNZVLXVORIF-GFCCVEGCSA-N 300.318 -0.779 30 20 DBED N#Cc1c[nH]c(C(=O)N2CCN(C3CN(CCCO)C3)CC2)c1 941365785 FYPPAHGLCDRBMD-UHFFFAOYSA-N 317.393 -0.289 30 20 DBED C[C@@H]1CN(CC#N)CC[C@@H]1NC(=O)c1cn(C)c(=O)n(C)c1=O 943233615 QCFMDKATJTXBFR-PWSUYJOCSA-N 319.365 -0.952 30 20 DBED Cc1nn(CC(=O)N[C@H]2CCN(CC#N)[C@H](C)C2)c(=O)n1C 947984650 JFWFOGKEDMPGLH-PWSUYJOCSA-N 306.370 -0.617 30 20 DBED C#CCCN1CC[C@H](NC(=O)CN2C(=O)CNC2=O)C[C@H]1C 948013229 UNCOADQJIPIKBZ-NEPJUHHUSA-N 306.366 -0.469 30 20 DBED CN(C(=O)CN1CCOCC1=O)[C@H]1CCCN(CC#N)CC1 948441728 DVZVEHARHABGOX-ZDUSSCGKSA-N 308.382 -0.318 30 20 DBED C#CCN1CCC2(CC1)CN(C(=O)[C@@H]1CCC(=O)NC1)CCO2 949129803 WNHSPYTWWYZURS-CQSZACIVSA-N 319.405 -0.161 30 20 DBED C[C@@]1(NC(=O)c2c[nH]c(C#N)c2)CCN(C(=O)CC(N)=O)C1 956841059 AKMFDAVLVFYHSG-CQSZACIVSA-N 303.322 -0.517 30 20 DBED CC#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cnc(C)nc2OC)C1 958121985 OAKUSEYVIAUAPN-GXTWGEPZSA-N 318.377 -0.161 30 20 DBED C=CCN1C[C@@H](O)[C@@H](CNC(=O)c2cn(C)nc2COC)C1 958183577 OZDOUSBIKFZURF-SMDDNHRTSA-N 308.382 -0.225 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2cccc(C(N)=O)c2)C1 958190495 HXDPNDBBETZWSU-KGLIPLIRSA-N 301.346 -0.559 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2CN(CCOC)C[C@H]2O)nc1 958592490 QWPZNUGHLKEKCJ-DZGCQCFKSA-N 303.362 -0.268 30 20 DBED CC#CCN1C[C@H](CNC(=O)c2ccc(C(N)=O)cn2)[C@@H](O)C1 958744236 JRZSISBGDGZXNS-JSGCOSHPSA-N 316.361 -0.774 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H]2CN(C(=O)C(N)=O)C[C@@H]2C)cc1 959570944 NDKOCMGJHRLUSH-SMDDNHRTSA-N 313.357 -0.023 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cocn1 960131447 QIQWJZQYUQFZEV-ADEWGFFLSA-N 304.306 -0.114 30 20 DBED C#CCN1C[C@H]2[C@H](NC(=O)Cn3nc4ccccn4c3=O)[C@H]2C1 961413071 QKWUOUGVJCUKNL-JYAVWHMHSA-N 311.345 -0.824 30 20 DBED C=CCCN1C[C@@H]2C(NC(=O)Cn3nc(C)n(C)c3=O)[C@H]2C1 962430285 LVQLCAILSIOGGD-RYUDHWBXSA-N 305.382 -0.487 30 20 DBED O=C(NC[C@@H]1COCCN1C(=O)C#CC1CC1)c1cncnc1 964153039 ADUBFDUWNONELT-CQSZACIVSA-N 314.345 -0.153 30 20 DBED Cn1ncc(C(=O)NC[C@@H]2COCCN2C(=O)C#CC2CC2)n1 964266433 SJVBXDBVWXAJCV-GFCCVEGCSA-N 317.349 -0.814 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)/C(C)=C\C)C[C@@H]1O 968348318 ZDIXUJZBRMZGCM-DHKQUPDHSA-N 319.405 -0.262 30 20 DBED C[C@H]1CCN(CC#N)C[C@@H]1NC(=O)c1cnn2c(=O)cc[nH]c12 968399891 IPYIDJGZLZVJBQ-JQWIXIFHSA-N 314.349 -0.014 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCNC1=O 969534619 CHIBRTDYIYTSOC-WISYIIOYSA-N 304.350 -0.516 30 20 DBED O=C1CC[C@@H](C(=O)N[C@H]2[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]32)N1 976912276 PGMRITBJZQQEBK-OZTPJHRESA-N 301.346 -0.749 30 20 DBED N#CCN1C[C@@H]2C(CNC(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)[C@H]2C1 978518700 FRRZIPLSVOBINC-ULQWKZLWSA-N 305.378 -0.145 30 20 DBED N#CCN1C[C@H]2C[C@@H](NC(=O)CN3CCNC(=O)C3)CC[C@H]2C1 980160283 NUQPDGCKOBSPEI-MJBXVCDLSA-N 319.409 -0.842 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CCN(C(=O)CC)C[C@H]2O)nn1 991488639 KZALBNJUXOOFSJ-ZYHUDNBSSA-N 307.354 -0.434 30 20 DBED C#CCN[C@@H]1CCC[C@H]2CN(C(=O)Cn3c(O)nnc3O)C[C@H]21 992867142 ABAIXONLYFBRLH-QJPTWQEYSA-N 319.365 -0.461 30 20 DBED C=CCN1CCC[C@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)[C@H]1C 993920897 VSHLKHIKMZNEDY-MNOVXSKESA-N 322.365 -0.438 30 20 DBED N#Cc1cc(C(=O)N2CC(NC(=O)[C@@H]3CCCNC3=O)C2)c[nH]1 993996460 DBXNGPJBBVMMMD-GFCCVEGCSA-N 315.333 -0.647 30 20 DBED C[C@H](C#N)C(=O)N1CC(NC(=O)c2cn3c(n2)COCC3)C1 994877369 HIXFKDQISVAIAR-SECBINFHSA-N 303.322 -0.486 30 20 DBED C[C@@H](C(=O)N1C[C@H](NCC#N)C(C)(C)C1)N1C(=O)CCC1=O 995870516 CPAMPYCNTOIRSD-QWRGUYRKSA-N 306.366 -0.126 30 20 DBED O=C(NC1CN(C(=O)C#CC2CC2)C1)c1ccn2nnnc2c1 997384435 LGBAJXKVMDAPEQ-UHFFFAOYSA-N 310.317 -0.522 30 20 DBED NC(=O)C(=O)N1CCC[C@@H]([C@H]2CCN(C(=O)C#CC3CC3)C2)C1 1003175932 UBTWRALTKBKKTR-KGLIPLIRSA-N 317.389 -0.028 30 20 DBED C[C@@H](NC(=O)c1cnn[nH]1)C1CN(C(=O)c2cc(C#N)c[nH]2)C1 1006398544 IURDRXHXKPWBHP-MRVPVSSYSA-N 313.321 -0.105 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2CC[C@H]1CN2C(=O)c1cnn(C)n1 1007411856 XMGKMNFEBDAOTR-OUAUKWLOSA-N 302.338 -0.210 30 20 DBED C[C@H](C#N)C(=O)N1CCN(C(=O)C(C)(C)S(C)(=O)=O)CC1 1012331160 QDOXBPRJWCYDFK-SNVBAGLBSA-N 315.395 -0.360 30 20 DBED C=C(Cl)CN1CC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 1014499951 GGIYDOIABRWARG-SECBINFHSA-N 312.761 -0.680 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCN(Cc3nc(O)n[nH]3)C2)nn1 1015812695 ZYKHSMUNKLESFS-VIFPVBQESA-N 318.341 -0.708 30 20 DBED CC(C)n1cc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2O)cn1 1024692917 DYHFRKSCGMEOHY-RAIGVLPGSA-N 319.365 -0.075 30 20 DBED C#CCN[C@@H]1CC[C@@H]2CN(C(=O)Cn3ccc(O)nc3=O)C[C@H]21 1026306622 ODCDQTFAKYKJHF-JHJVBQTASA-N 316.361 -0.591 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)[C@H]1CC(=O)N(C)C1 1026610105 YJRSBKOBOIPQNJ-KWCYVHTRSA-N 317.389 -0.159 30 20 DBED C#CCN1CCC[C@H]1CNC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 1027879567 UVFKQMOJUJYPFY-OLZOCXBDSA-N 315.377 -0.024 30 20 DBED COCCn1cc(C(=O)N2C[C@@H]3CC[C@H](C2)N3CC#N)nn1 1029300505 IQBCUUPXUNKGDN-TXEJJXNPSA-N 304.354 -0.263 30 20 DBED N#Cc1ccccc1CN1CC(NC(=O)Cn2cnnc2O)C1 1030238168 ZMBSAMFFDPUXAE-UHFFFAOYSA-N 312.333 -0.144 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)[C@@H]3CCN(C)C3)C2)C1=O 1031382180 LGNAQWQNXMJBDM-TZMCWYRMSA-N 306.410 -0.475 30 20 DBED C=CCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@]1(C)CCS(=O)(=O)N1 1032753519 WGKGZQDUTWHNPB-OBJOEFQTSA-N 313.423 -0.071 30 20 DBED C#CCN1CC[C@H](N(C)C(=O)[C@@H]2CC(=O)N(CCOC)C2)C1 1033128347 KKYFVVRSPQALPL-KGLIPLIRSA-N 307.394 -0.353 30 20 DBED C=CCN[C@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C[C@@H]1CC 1037845734 PXQDJUIGGSLWQG-RYUDHWBXSA-N 320.397 -0.220 30 20 DBED C#CCCCC(=O)NC[C@]1(O)CCN(C(=O)c2cn(C)nn2)C1 1039573870 LFOFMGNWBKSBOQ-OAHLLOKOSA-N 319.365 -0.688 30 20 DBED O=C(C#CC1CC1)NC[C@@]1(O)CCN(C(=O)c2csnn2)C1 1039688674 NPTYPQRFTZZWDS-AWEZNQCLSA-N 320.374 -0.355 30 20 DBED CC[C@H](C(=O)NC[C@@]1(O)CCN(C(=O)C#CC2CC2)C1)N(C)C 1040197173 BBFMISSTZZPYFW-PBHICJAKSA-N 321.421 -0.180 30 20 DBED COCC(C)(C)C(=O)NC[C@@]1(O)CCN(C(=O)[C@@H](C)C#N)C1 1040296269 NETWADDBMUEIDI-NHYWBVRUSA-N 311.382 -0.102 30 20 DBED Cc1nc(C)c(C(=O)N2CC[C@@](O)(CNC(=O)[C@H](C)C#N)C2)[nH]1 1040760980 BJDZMJMCWXSYBT-RFAUZJTJSA-N 319.365 -0.121 30 20 DBED C#CCOCCC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2CCOC2)C1 1040795163 ZTNCNFVCHBPIHP-CJNGLKHVSA-N 324.377 -0.858 30 20 DBED Cc1ocnc1C(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1041814270 DGFPYTNPNPMGSZ-UHFFFAOYSA-N 303.318 -0.300 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@H]2CCOC2)C1 1041884058 PQYUIPXHARKYEP-XQQFMLRXSA-N 324.377 -0.697 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)c2cc[nH]c2C)C1 1042039592 DCHIARLBFCSEFZ-UHFFFAOYSA-N 307.350 -0.171 30 20 DBED CN1C(=O)CN(CC(=O)N2CC[C@H]3CCN(CC#N)[C@@H]3C2)C1=O 1042314287 ZMAXCPPFTOKZLD-VXGBXAGGSA-N 319.365 -0.673 30 20 DBED C=C(C)CCC(=O)NCC1(O)CN(C(=O)[C@@H](C)n2cncn2)C1 1043310106 CJBYCNKGNFRUMG-GFCCVEGCSA-N 321.381 -0.115 30 20 DBED C=CCCOCC(=O)N1CC(O)(CNC(=O)[C@@]23COC[C@@H]2C3)C1 1043371527 OBHHUYIWSQMYPT-LRDDRELGSA-N 324.377 -0.695 30 20 DBED C[C@@H]1CC[C@H](C(=O)N[C@@H]2CN(c3cncc(C#N)n3)C[C@@H]2O)O1 1044581758 SVNCUPFHMQLOQJ-FOUMNBMASA-N 317.349 -0.419 30 20 DBED N#CCN1CC[C@@H](N2CCN(C(=O)CC3OCCCO3)CC2)C1 1046022847 YZENMSHPCGJZQP-CQSZACIVSA-N 322.409 -0.118 30 20 DBED C=CCN1CC[C@H](N2CCN(C(=O)Cn3cncn3)CC2)C1 1046083739 YRZINNHIQDRPDV-AWEZNQCLSA-N 304.398 -0.317 30 20 DBED N#CCSCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(N)=O)C2 1047340782 KXAOQEWVKAZKGN-GUBZILKMSA-N 310.379 -0.776 30 20 DBED CNC(=O)c1ccc(C(=O)N(C)[C@H]2CN(CC#N)C[C@@H]2O)cn1 1047599164 KIDYZIJJHLVCIT-STQMWFEESA-N 317.349 -0.918 30 20 DBED CN(C(=O)C#CC1CC1)[C@H]1CN(C(=O)c2cnn(C)c2)C[C@@H]1O 1048821682 XWHSYXYODYXSKV-KBPBESRZSA-N 316.361 -0.523 30 20 DBED N#CCN1C[C@H]2CN(C(=O)[C@@H]3CCc4nnnn4CC3)C[C@H]2C1 1049073402 NUEOZDITSZMSNE-UPJWGTAASA-N 315.381 -0.461 30 20 DBED CCc1cc(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)C#N)C2)n[nH]1 1049388233 HIEHLFJZSLGFAJ-XDTLVQLUSA-N 319.365 -0.225 30 20 DBED C#CCOCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)C#N)C1 1049402549 UOBOZUCAQQPAOC-AVGNSLFASA-N 307.350 -0.784 30 20 DBED C[C@@H](NC(=O)CSCC#N)[C@@H]1CCN(C(=O)CC(N)=O)C1 1050358031 ONVWLOFONRVMCW-NXEZZACHSA-N 312.395 -0.528 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)[C@H]1CC(=O)N(C(C)C)C1 1050944940 GXAUWRFKZZAEFB-UONOGXRCSA-N 307.394 -0.307 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)c1cn(C)c(C)cc1=O 1050967435 VCTXUWUFHAQEEX-ZDUSSCGKSA-N 303.362 -0.242 30 20 DBED Cn1cc(C(=O)N2CC[C@H](N3CCN(CC#N)CC3)C2)nc1O 1052075607 BDFUWDRADZMQFR-LBPRGKRZSA-N 318.381 -0.519 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1CNC(=O)Cn1cncn1 1052554834 SICQJACNBIWPNP-OCCSQVGLSA-N 315.377 -0.098 30 20 DBED Cn1cc(OCC(=O)N2CCOC3(CN(CC#N)C3)C2)cn1 1053397101 LIGMOXCQABCBHS-UHFFFAOYSA-N 305.338 -0.764 30 20 DBED N#CCN1CC2(C1)CN(C(=O)CCN1CCOCC1)CCO2 1053471784 GFUHJSGJSWVFQW-UHFFFAOYSA-N 308.382 -0.855 30 20 DBED C[C@H]1CN(C(=O)Cc2ccc(C(N)=O)nc2)C[C@H]1NCC#N 1054798256 RWEDKCPJXRJWNL-GXFFZTMASA-N 301.350 -0.317 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCC[C@](CO)(NC(=O)CC)C1 1055665489 GPQKAQKJTCDHKT-YOEHRIQHSA-N 321.421 -0.036 30 20 DBED COC(=O)[C@H]1C[C@@H]1C(=O)N1CCN(c2ccnc(C#N)n2)CC1 1055734600 DCOLFOXDPDJWIG-QWRGUYRKSA-N 315.333 -0.194 30 20 DBED C=CCCC(=O)N1CCC[C@@](CO)(NC(=O)Cn2cnnn2)C1 1055750975 PPOILXBERPATQQ-CQSZACIVSA-N 322.369 -0.891 30 20 DBED N#Cc1cncc(N2C[C@H]3[C@H](NC(=O)[C@H]4CCC(=O)N4)[C@H]3C2)n1 1056146653 JDQCZOQAOLHVMM-DEKYYXRVSA-N 312.333 -0.822 30 20 DBED CC(=O)NCC(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C)C#N 1056536737 APAMSFFACZYYQQ-KGYLQXTDSA-N 306.366 -0.126 30 20 DBED C=C[C@](C)(O)CC(=O)NCCN(CCO)C(=O)c1cocn1 1057197791 ACSCXJOPAPVRIW-AWEZNQCLSA-N 311.338 -0.448 30 20 DBED C#CCOCCC(=O)N(CCO)CCNC(=O)Cc1ccoc1 1057581008 KIWJSKYBTWJYJG-UHFFFAOYSA-N 322.361 -0.201 30 20 DBED C[C@]1(C(=O)N[C@H]2CCN(c3nccnc3C#N)C2)CNC(=O)C1 1058493783 CNHYJHUCYOBFIR-ZUZCIYMTSA-N 314.349 -0.431 30 20 DBED CCc1cc(C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N)n(C)n1 1058539020 NOBXGPZVPWSEAT-NSHDSACASA-N 321.381 -0.307 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@@H]1CCN(C(=O)CCOC)C1 1058962749 MJYJWOXQMCTRCP-CYBMUJFWSA-N 323.393 -0.483 30 20 DBED C=CCOCCCC(=O)N1CC[C@H](CCNC(=O)C(N)=O)C1 1059399100 NUWWPTQTMAWQIT-LBPRGKRZSA-N 311.382 -0.191 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](CCNC(=O)Cc2nc[nH]n2)C1 1060289521 OUJMEPHOXXWWJU-GHMZBOCLSA-N 304.354 -0.138 30 20 DBED N#Cc1cnc(N2CCC[C@H]2CNC(=O)[C@@H]2CCC(=O)N2)cn1 1061379161 IARLCMYMFLFRGM-RYUDHWBXSA-N 314.349 -0.288 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@H]1COCCN1C(=O)COCC 1061538450 OHLVXOPWWOIEOV-WFASDCNBSA-N 314.382 -0.306 30 20 DBED C#CCOCCC(=O)NC[C@H]1COCCN1C(=O)[C@H](C)C#N 1061582134 ZJQPISGWGLJERW-OLZOCXBDSA-N 307.350 -0.470 30 20 DBED CCN(C)CCC(=O)N1CCOC[C@@H]1CNC(=O)[C@H](C)C#N 1061848954 XKIUKHOQLYLLNL-OLZOCXBDSA-N 310.398 -0.169 30 20 DBED N#CCSCC(=O)NCC1(NC(=O)[C@@H]2CCC(=O)N2)CCC1 1062580537 BNVXUVZIBQCRLO-JTQLQIEISA-N 324.406 -0.323 30 20 DBED N#Cc1nccnc1N1CC[C@H]2CCN(C(=O)CC(N)=O)C[C@H]21 1064674347 FFCKNQPITLSTQS-ZYHUDNBSSA-N 314.349 -0.349 30 20 DBED C=C(C)CCC(=O)N1CCO[C@H](CNC(=O)Cn2ncnn2)C1 1065224669 SYOZVIJTDKQYSE-GFCCVEGCSA-N 322.369 -0.627 30 20 DBED Cc1nonc1CC(=O)N1CCO[C@H](CNC(=O)[C@H](C)C#N)C1 1065563382 ADLPTFKMNJIUKT-MWLCHTKSSA-N 321.337 -0.576 30 20 DBED N#Cc1nccc(N2C[C@H](O)[C@H](CNC(=O)c3cn[nH]c3)C2)n1 1067652139 VWQKMTLQOFFZMW-MNOVXSKESA-N 313.321 -0.702 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1COC2(C1)CN(C(=O)CCN(C)C)C2 1069007496 GNOKABTYVFBZED-RYUDHWBXSA-N 308.382 -0.416 30 20 DBED N#Cc1cncc(N[C@@H]2CCC[C@@H]3CN(C(=O)C(N)=O)C[C@@H]32)n1 1069318781 KUESUYUKDTWTEF-ADEWGFFLSA-N 314.349 -0.127 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)c2cc[n+]([O-])cc2)CC1 1070936428 LEIMRVPGHVLAEN-UHFFFAOYSA-N 318.377 -0.230 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)c2nocc2C)CC1 1071014532 UKESFHBIXINOQG-UHFFFAOYSA-N 304.350 -0.120 30 20 DBED C=CCCOCC(=O)N[C@@H]1CCCN(C(=O)c2nnn(C)n2)C1 1071108505 LPYUPIRHYOGVBG-LLVKDONJSA-N 322.369 -0.476 30 20 DBED C[C@H]1CN(C(=O)c2cn(C)c(O)n2)C[C@@]2(CCN(CC#N)C2)O1 1071209410 JJBJRUMYMZDOSN-NHYWBVRUSA-N 319.365 -0.045 30 20 DBED C#CCCN1C[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)CC[C@@H]1C 1072054842 KTMIKURJRCJBIL-STQMWFEESA-N 320.393 -0.127 30 20 DBED C#CCOCCC(=O)N1C[C@H](C)[C@H](NC(=O)Cc2ncc[nH]2)C1 1072102377 UWXWCMZWVGALKL-QWHCGFSZSA-N 318.377 -0.045 30 20 DBED N#CCN1CCC2(C1)CN(C(=O)C[C@H]1CCS(=O)(=O)C1)C2 1072903225 VEMXHSWRDRQEBN-GFCCVEGCSA-N 311.407 -0.131 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC(C)(NC(=O)CNC(N)=O)CC1 1073023468 CHVZEPNEWBJDDR-NSHDSACASA-N 324.381 -0.810 30 20 DBED CC#CCN1CCC2(C1)CN(C(=O)c1nccnc1C(N)=O)C2 1073415436 ZJIDUNNUWVBHOD-UHFFFAOYSA-N 313.361 -0.253 30 20 DBED C#CCN1CCC2(C1)CN(C(=O)c1cn(C)c(=O)nc1O)C2 1073425420 SVEZMTTYQRUQJX-UHFFFAOYSA-N 302.334 -0.733 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)[C@H]2CC(=O)N(CC)C2)C1 1073630457 VULJESUNNXPLKJ-KBPBESRZSA-N 307.394 -0.305 30 20 DBED C#CCOCCC(=O)N1CC[C@H](NC(=O)CNC(C)=O)[C@@H](C)C1 1073660165 YPQVZQUNBPUOIR-JSGCOSHPSA-N 323.393 -0.484 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)c2cn(C)c(=O)cn2)C1 1073703693 VPVCUNICFUPTQG-GFCCVEGCSA-N 304.350 -0.766 30 20 DBED CC#CCN1CCCO[C@H](CNC(=O)[C@@H]2CN(CC)CCO2)C1 1073896644 WZOMTCSKBXCDIJ-CVEARBPZSA-N 323.437 -0.063 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(O)(CNC(=O)CCCC(N)=O)CC1 1074706329 JBDDCJYIPCXPIC-NSHDSACASA-N 324.381 -0.729 30 20 DBED C#CCN1C[C@@H]2CCN(C(=O)C[C@@H]3CCS(=O)(=O)C3)[C@@H]2C1 1076007949 SNIDCGQQYITBPR-MELADBBJSA-N 310.419 -0.023 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2c(C)oc3ncnc(O)c23)C1 1077132891 AOZYDCYPQKOWAG-NXEZZACHSA-N 316.317 -0.355 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)c2ccn(CC(F)F)n2)C1 1077188562 LUXVZCLPWCUDEM-VXGBXAGGSA-N 312.320 -0.054 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)Cc2c(C)nc(O)nc2O)C1 1077886038 MSJJSGCBFQZEIZ-VXGBXAGGSA-N 322.365 -0.524 30 20 DBED C=CCCN1C[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)[C@H](C)C1 1079804629 BDLMQDMCTPXRBY-CHWSQXEVSA-N 320.393 -0.440 30 20 DBED CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)C[C@@H]2CC(=O)NC2=O)C1 1080421743 OWGSHEXMFKKUMJ-ZJUUUORDSA-N 320.349 -0.742 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN([C@@H](C)C(N)=O)C[C@H]2C)cn1 1080801776 IKMHKMYBYQUYMD-UHIISALHSA-N 300.362 -0.013 30 20 DBED C#CCOCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)CC2CC2)C1 1081171678 FKWCQSABGJJDPT-ZIAGYGMSSA-N 308.378 -0.238 30 20 DBED CCN(C)CCC(=O)N1C[C@H](CNC(=O)C#CC(C)C)[C@@H](O)C1 1081464299 XWNHSJURDLIJNV-GJZGRUSLSA-N 323.437 -0.077 30 20 DBED C=CCN1C[C@@H](NC(=O)[C@H]2CN3CC4CC3(CO2)C4)[C@H](OC)C1 1081959499 KVLKRJLKOLNJLD-VXSWHIBVSA-N 321.421 -0.149 30 20 DBED CC(C)N1C[C@H](C(=O)N2CCO[C@@H]3CN(CC#N)C[C@@H]32)CC1=O 1083096761 WIVFAAAMQKCKJT-HZSPNIEDSA-N 320.393 -0.322 30 20 DBED C[C@@H](C(=O)N(C)C)N1C[C@H](O)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 1083413339 JVFTZRJBPLNYJJ-BIMULSAOSA-N 319.365 -0.862 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2c[nH]nc2[C@H]2CCOC2)C1 1083674216 RNOGGFNBMCOSAR-WCQGTBRESA-N 305.338 -0.788 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)c2c(O)nnc(C)c2C)C1 1083689069 AHQKWSJXQQVNIL-NEPJUHHUSA-N 304.350 -0.403 30 20 DBED O=C(N[C@@H]1CN(CC#Cc2ccccc2)C[C@@H]1O)c1nc[nH]n1 1083873233 SXUMWMXCFVCGLD-KGLIPLIRSA-N 311.345 -0.369 30 20 DBED CC#CCN1CC[C@@H]2CN(C(=O)Cn3ncn(C)c3=O)C[C@@H]2C1 1088019230 BOEAKWIRXJHTDE-KGLIPLIRSA-N 317.393 -0.615 30 20 DBED CCN(c1nccnc1C#N)[C@H](C)CNC(=O)[C@H]1CCC(=O)N1 1089620444 SQKGVXCLCPRYKR-GHMZBOCLSA-N 316.365 -0.042 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2ccnn2CCOC)[C@@H](O)C1 1090349407 LWSMUBBMTDRGDR-ZFWWWQNUSA-N 320.393 -0.282 30 20 DBED CCc1nc(C#N)cc(N2C[C@@H](NC(=O)CC(N)=O)[C@H](C)C2)n1 1090668597 DFMZTNOZLWJYMZ-MWLCHTKSSA-N 316.365 -0.273 30 20 DBED C=CCN1CC[C@H](NC(=O)c2cccnc2C(N)=O)[C@H](O)C1 1090823644 HTEMLHUFCIGJTA-NWDGAFQWSA-N 304.350 -0.469 30 20 DBED C[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1CCNC(=O)CC(N)=O 1092491429 BVGPPOQFTXJJCW-GHMZBOCLSA-N 316.365 -0.198 30 20 DBED Cc1cc(=NCCNC(=O)C2CC(=O)NC(=O)C2)c(C#N)c[nH]1 1093741707 OUJHBWBTOYKUFL-UHFFFAOYSA-N 315.333 -0.736 30 20 DBED Cn1nnc(C(=O)NCCNc2ccc([N+](=O)[O-])cc2C#N)n1 1094042834 LHZYQSPMMMYJCB-UHFFFAOYSA-N 316.281 -0.168 30 20 DBED N#Cc1cncc(NCCCNC(=O)[C@@H]2CCCN2C(N)=O)n1 1094475506 YPHGQFBLKKMNCI-NSHDSACASA-N 317.353 -0.190 30 20 DBED CC#CCN1CCN(C(=O)[C@@H](C)OC)[C@@H]2CS(=O)(=O)C[C@@H]21 1094609692 GRCNQGBVRRYWDC-FRRDWIJNSA-N 314.407 -0.646 30 20 DBED CN1C(=O)CC[C@H]1CC(=O)NCCCN=c1cc[nH]c(C#N)n1 1094699068 IBRUETCWFMVLFQ-NSHDSACASA-N 316.365 -0.301 30 20 DBED CC#CCN1CC(N2C[C@@H](NC(=O)c3cncnc3)CC2=O)C1 1094731196 LSEPFCRVBFZTJW-ZDUSSCGKSA-N 313.361 -0.485 30 20 DBED CC#CCN1CC(N2C[C@H](NC(=O)[C@]3(F)CCOC3)CC2=O)C1 1094778367 LWOYTQZCCOTKOL-WBMJQRKESA-N 323.368 -0.460 30 20 DBED C=CCN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1cnc(C(N)=O)n1)C2 1094924639 JSWWDXDRSQTISP-TUAOUCFPSA-N 318.381 -0.468 30 20 DBED CN(CCCNC(=O)[C@@H]1CCNC1=O)c1ccnc(C#N)n1 1095696500 CRUROWSGDARIRG-JTQLQIEISA-N 302.338 -0.573 30 20 DBED CCN(CCCNC(=O)CNC(=O)NC)c1cnc(C#N)cn1 1095980291 PJSMFNLVPNXFPU-UHFFFAOYSA-N 319.369 -0.390 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CCN(c2ncnc3c2nnn3C)C1 1096338023 HZLJEKZTBDLHHK-BDAKNGLRSA-N 300.326 -0.387 30 20 DBED C#CCOCCC(=O)N[C@H]1CCN(c2nccn3nnnc23)C1 1096440985 BVZYNNCRCGTRKB-NSHDSACASA-N 315.337 -0.746 30 20 DBED C#CCNCc1cn([C@@H]2CCN(C(=O)c3cccnn3)C2)nn1 1098752388 XITIJJAFFKWEKJ-CYBMUJFWSA-N 311.349 -0.122 30 20 DBED N#CCN1C[C@@H]2CCC[C@]2(NC(=O)c2nnc(O)nc2O)C1 1098923360 KIHSRYDIQCGVHH-SDBXPKJASA-N 304.310 -0.609 30 20 DBED C[C@H](CCNC(=O)[C@H]1CCC(=O)N1)Nc1nccnc1C#N 1098930956 XLHSIQRWCPMVQE-NXEZZACHSA-N 302.338 -0.066 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H]2CC[C@H]1[C@@H]1CN(CC#C)C[C@@H]21 1099468644 RKLSGYXACARCQX-QXSJWSMHSA-N 313.401 -0.072 30 20 DBED C=CCNC(=O)CN1CC[C@H](NC(=O)c2cocn2)[C@@H](O)C1 1099739227 YWYRTSPNSNOCMK-JQWIXIFHSA-N 308.338 -0.858 30 20 DBED C#CCCCC(=O)N[C@@H]1CCN(Cc2nc(O)n[nH]2)C[C@@H]1O 1099803761 CXHFOFUQYWUMBR-MNOVXSKESA-N 307.354 -0.635 30 20 DBED C#CCCCC(=O)N[C@@H]1CCN(CC(=O)N(C)C2CC2)C[C@@H]1O 1099807606 SDRUFRMQXWXEBS-CABCVRRESA-N 321.421 -0.038 30 20 DBED C=C(C)CCN1CC[C@@H](NC(=O)C(=O)NCC(F)F)[C@@H](O)C1 1099901739 NTBGEBDXAGJRQK-MNOVXSKESA-N 319.352 -0.115 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)[C@@H]2[C@H]3COC[C@H]32)[C@@H](O)C1 1099949090 LXBYSTXHTLKHKN-SEBNEYGDSA-N 308.378 -0.920 30 20 DBED CN(CCNC(=O)c1c[nH]c(C(N)=O)c1)c1cncc(C#N)n1 1100116597 GWLYRDQDOASPEU-UHFFFAOYSA-N 313.321 -0.359 30 20 DBED C#CCC1(C(=O)N[C@H]2CCN(CC(N)=O)C[C@@H]2O)CCCCC1 1100136435 MPTOJYVUBQUSJP-KBPBESRZSA-N 321.421 -0.003 30 20 DBED N#Cc1cnc(N2CC[C@@H](CNC(=O)CNC(N)=O)C2)c(F)c1 1100927555 KMBXNEXINHFYRK-VIFPVBQESA-N 320.328 -0.297 30 20 DBED C#CCOCCC(=O)N1C[C@H]2CN(CC(=O)N(C)C)C[C@@]2(C)C1 1101234876 JMZXMNDKKJMNGH-PBHICJAKSA-N 321.421 -0.105 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1CN(Cc2nc(=O)n(C)[nH]2)C[C@H]1C 1101822263 JQIDXDSMNQKHNT-HBNTYKKESA-N 306.370 -0.548 30 20 DBED COCC#CCN1C[C@@H](C)[C@H](CNC(=O)[C@@H]2CCNC(=O)C2)C1 1101868864 QPOZAPKJZWFEEC-RBSFLKMASA-N 321.421 -0.154 30 20 DBED C#CCN1C[C@@H](C)[C@H](CNC(=O)[C@@H](C)NS(C)(=O)=O)C1 1102402295 YMGBZCZENLTNJQ-IJLUTSLNSA-N 301.412 -0.759 30 20 DBED CN(C)C(=O)CC(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(C#N)nn1 1102574008 BEBISAGSKIGTOJ-RYUDHWBXSA-N 314.349 -0.384 30 20 DBED Cc1cc(=NC[C@H](C)CNC(=O)CCNC(N)=O)c(C#N)c[nH]1 1103968188 ZLQRPNAYYWEXCW-JTQLQIEISA-N 318.381 -0.094 30 20 DBED COCC#CCNCC[C@@H]1CN(C(=O)[C@H]2COC(=O)N2)C[C@H]1C 1104144220 MMTKALLLLKXCMG-MGPQQGTHSA-N 323.393 -0.181 30 20 DBED N#Cc1cccnc1N1CCO[C@H](CNC(=O)CC(N)=O)C1 1104305443 OIRHMJVTVFCHNQ-LLVKDONJSA-N 303.322 -0.850 30 20 DBED C=CCNCc1cn(C2CN(C(=O)[C@H](C)NC(=O)CC)C2)nn1 1105247048 LZRRWUZFXDXCLN-NSHDSACASA-N 320.397 -0.148 30 20 DBED C#CCOCCC(=O)N(C)CCN(C)c1nccn2nnnc12 1105469538 UPRWUGBHOZMKPA-UHFFFAOYSA-N 317.353 -0.546 30 20 DBED COC(=O)NCC(=O)NC[C@H](O)CNc1ncccc1C#N 1105723068 GRLZCLNIPLIBJR-JTQLQIEISA-N 307.310 -0.802 30 20 DBED Cn1cccc1C(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1 1105755907 ZGUXXALYFNWLBX-JTQLQIEISA-N 300.322 -0.689 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNc1cc(-n2ccnc2)ncn1 1105773515 IYYPMIITUNADKO-GHMZBOCLSA-N 315.337 -0.289 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@@H](O)CNc2cncc(C#N)n2)c1 1105807706 FMGAJHDROAGCAT-NSHDSACASA-N 311.305 -0.249 30 20 DBED N#Cc1cccnc1NC[C@H](O)CNC(=O)C[C@H]1CCC(=O)N1 1105894661 QXVSFQIBARCCOM-VXGBXAGGSA-N 317.349 -0.489 30 20 DBED CC[C@@H](C(=O)NC[C@@H](O)CN=c1cc(C)[nH]cc1C#N)N(C)C 1105925626 DJVSWRUDBDYGBE-ZFWWWQNUSA-N 319.409 -0.087 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)[C@H]2CCNC(=O)C2)C[C@H]1C 1106005212 JHMUHEPPRFHLOV-QLFBSQMISA-N 321.421 -0.154 30 20 DBED CCN(C)C(C)(C)C(=O)NC[C@H](O)CNc1cnc(C#N)cn1 1106010889 HHUVMIQDFDNXRK-GFCCVEGCSA-N 320.397 -0.032 30 20 DBED CN1C(=O)CC[C@@H]1C(=O)NC[C@@H](O)CNc1ccc(C#N)nc1 1106070695 ZRXKZAQESOLMMW-QWHCGFSZSA-N 317.349 -0.537 30 20 DBED COC[C@H](OC)C(=O)NC[C@@H](O)CNc1ccc(C#N)nc1 1106087256 NFVHDWWHRJRQBA-STQMWFEESA-N 308.338 -0.496 30 20 DBED COCC#CCNC[C@@H]1CN(C(=O)[C@@H](COC)OC)C[C@H]1C 1106645019 KMZVDAVQSGLZRT-RBSFLKMASA-N 312.410 -0.018 30 20 DBED CN1CCO[C@H](C(=O)NC/C=C\CN=c2cc[nH]c(C#N)n2)C1 1107093069 BFIZEAPRZBOPEY-DLGQBQFBSA-N 316.365 -0.815 30 20 DBED N#Cc1ccc(NC/C=C/CNC(=O)[C@H]2CCNC(=O)C2)nn1 1107122039 KOCLOOKLHKHXCB-GXFZAYBSSA-N 314.349 -0.041 30 20 DBED N#Cc1cnc(NC/C=C\CNC(=O)CN2CCOCC2)cn1 1107133643 KQKZJUNEEJJIFN-UPHRSURJSA-N 316.365 -0.235 30 20 DBED C[C@@H](C(N)=O)N1CC(n2cc(CNC(=O)C#CC3CC3)nn2)C1 1107169333 CKKCANWYBZMTCP-JTQLQIEISA-N 316.365 -0.962 30 20 DBED C#CCCN1CC(n2cc(CNC(=O)CCCC(N)=O)nn2)C1 1107242784 YKIDVLQNIJQQRL-UHFFFAOYSA-N 318.381 -0.570 30 20 DBED Cc1nc(NC[C@@H](C)NC(=O)Cn2ncnn2)ccc1C#N 1107943129 JFSWKESJABPLPH-SECBINFHSA-N 300.326 -0.135 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)c2ccc(C(N)=O)nc2)C1 1108439171 CKWBWFGEEWJJQE-MRXNPFEDSA-N 316.361 -0.366 30 20 DBED C[C@@]1(CNC(=O)c2ccc(C(N)=O)nc2)CN(CC#N)CCO1 1108439409 JOBXTCJPNIZMMN-OAHLLOKOSA-N 317.349 -0.475 30 20 DBED C=CCC(C)(C)C(=O)N[C@@H]1CC(=O)N(C2CN(CC(N)=O)C2)C1 1108576757 YPQBQPJBVZBWOE-LLVKDONJSA-N 322.409 -0.525 30 20 DBED N#Cc1cnc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)C2(C(N)=O)CC2)cn1 1109739525 ANETVBHLUNJHRV-QRTLGDNMSA-N 312.333 -0.693 30 20 DBED C#CCNC(=O)CC(=O)NCC1(Nc2nccc(OC)n2)CC1 1110105589 IYIPHDDOGUAFTD-UHFFFAOYSA-N 317.349 -0.315 30 20 DBED CCC(=O)NCC(=O)N[C@]1(C)CCN(c2nccnc2C#N)C1 1110733765 RJFNDWJZUMXXJN-OAHLLOKOSA-N 316.365 -0.041 30 20 DBED N#Cc1cncc(NCCN(CCO)C(=O)[C@H]2CCOC2)n1 1111445862 QYPHBFBCSXHSOO-NSHDSACASA-N 305.338 -0.382 30 20 DBED N#Cc1cnc(NCCN(CCO)C(=O)[C@@H]2CCOC2)cn1 1111446144 YVQUBYKJRAYVGK-LLVKDONJSA-N 305.338 -0.382 30 20 DBED C#CCN1C[C@@H]2CCC[C@]2(NC(=O)COCc2ncnn2C)C1 1111922818 GGJWQRDPAFEJGP-BBRMVZONSA-N 317.393 -0.064 30 20 DBED COCCOCC(=O)N1C[C@H](C)[C@@H](N=c2cc[nH]c(C#N)n2)C1 1112308137 AKRIXRYMHWNEMA-RYUDHWBXSA-N 319.365 -0.308 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)CC(=O)NCC)CC1 1112779322 URPAOXQCFQXGQI-LBPRGKRZSA-N 310.398 -0.653 30 20 DBED CCC(=O)NCC(=O)N[C@@H](C)[C@@H](C)N=c1cc[nH]c(C#N)n1 1112931665 YIDGUTJKKFMQLC-ZJUUUORDSA-N 304.354 -0.399 30 20 DBED COCC#CCN1CCN(C(=O)[C@@H]2CCCN(C(N)=O)C2)CC1 1113080914 ZLNGBMBSWOKPAW-CQSZACIVSA-N 322.409 -0.429 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)c3cccn3C)[C@H]2C1 1113866957 IWNKACCLJBVLDM-AVGNSLFASA-N 314.389 -0.177 30 20 DBED CC(C)C#CC(=O)NC1[C@@H]2CN(CCN3C(=O)CCC3=O)C[C@@H]12 1114234521 MJBNZLCRMBHDDM-CHWSQXEVSA-N 317.389 -0.159 30 20 DBED CCC[C@H](OCC)C(=O)NC1[C@H]2CN(CC(=O)NCC#N)C[C@H]12 1114719358 FORMHLLUQPYINY-AVGNSLFASA-N 322.409 -0.122 30 20 DBED C=CCO[C@H](C)C(=O)N[C@H]1[C@@H]2CN(Cc3cn(C)nn3)C[C@@H]21 1115333264 VMJMNFYVZXZBEE-ZZVYKPCYSA-N 305.382 -0.047 30 20 DBED C[C@H](CN(C)C(=O)[C@H]1CCC(=O)N1)Nc1cnc(C#N)cn1 1115656793 RDCPDBPSLXBANB-MWLCHTKSSA-N 302.338 -0.114 30 20 DBED CCS(=O)(=O)CCNC(=O)C(=O)N1CC[C@@](F)(C#N)C1 1117259486 SXWDWZYDLJBJNW-LLVKDONJSA-N 305.331 -0.999 30 20 DBED C=C(C)COCCNC(=O)C(=O)N1CCC(CO)(CO)CC1 1119161110 SQYPMWQHFNDFRC-UHFFFAOYSA-N 314.382 -0.711 30 20 DBED C=CCn1c([C@@H]2CNC(=O)C2)nnc1N1C[C@H](OC)[C@H](OC)C1 1121377206 QVRRPUKQFGZGKR-SDDRHHMPSA-N 321.381 -0.082 30 20 DBED Cc1cn(C)nc1C(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1 1121446750 PQAFSCZHVKECPN-SNVBAGLBSA-N 315.337 -0.985 30 20 DBED Cc1[nH]nc(C(=O)NC[C@H](CO)Nc2cnc(C#N)cn2)c1O 1121453297 BBXHCKTVXSQCGQ-SECBINFHSA-N 317.309 -0.712 30 20 DBED Cc1cc(N[C@@H](CO)CNC(=O)C#CC(C)C)nc(CO)n1 1121520149 IRVROYKZUDOZTP-GFCCVEGCSA-N 306.366 -0.174 30 20 DBED Cc1nonc1C(=O)NC[C@H](CO)Nc1ncccc1C#N 1121734790 QLLQIRNEFQQAQI-SNVBAGLBSA-N 302.294 -0.153 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@@H](CO)Nc1ccc(C#N)nc1 1122037628 XTHZGAZZMYXAAV-RISCZKNCSA-N 302.334 -0.119 30 20 DBED C[C@@H]1CCN(CC(=O)NC[C@H](CO)N=c2cc[nH]c(C#N)n2)C1 1122528082 SBXQQGNDPOWBSJ-VXGBXAGGSA-N 318.381 -0.999 30 20 DBED CN(C[C@@H](O)CNc1cnc(C#N)cn1)C(=O)c1cnnn1C 1124272530 SWOCKCCTRCIKKS-JTQLQIEISA-N 316.325 -0.978 30 20 DBED CN(C[C@H](O)CNc1nccn2nnnc12)C(=O)C#CC1CC1 1124284436 YWOSRRQEWIPTSH-LLVKDONJSA-N 315.337 -0.836 30 20 DBED Cc1nc(N(C)C[C@@H](O)CN(C)C(=O)C(N)=O)ccc1C#N 1125247015 FYIBBQVXGHOOSM-LLVKDONJSA-N 305.338 -0.998 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCN[C@H](C)C(=O)Nc1ncccn1 1126366408 VAGNDVZUDFFLGH-IAQYHMDHSA-N 321.381 -0.164 30 20 DBED COCC(=O)N[C@H](C)C(=O)NCCNCc1cccc(C#N)c1 1127966856 GNALUOABASUBNS-GFCCVEGCSA-N 318.377 -0.085 30 20 DBED C[C@@H](C(N)=O)N1CCn2ncc(CNC(=O)[C@H](C)C#N)c2C1 1128265416 ZWRQTZWBXZUJFU-ZJUUUORDSA-N 304.354 -0.652 30 20 DBED C=CCOCCNCCNC(=O)[C@H](Cn1cccn1)N(C)C 1129385303 CYBGRJMVBLLJJL-AWEZNQCLSA-N 309.414 -0.278 30 20 DBED CC#CCN[C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@@H]1n1ccnn1 1129899634 CTPBBBGRJOFHHI-NEPJUHHUSA-N 318.381 -0.846 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1COCCN1CC 1130614625 BVXNQMDYOPDSGP-STQMWFEESA-N 312.414 -0.896 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)c1cnn2c1OCCC2 1130837744 DVLRODAQBBCUEM-LLVKDONJSA-N 321.381 -0.324 30 20 DBED C=CC(C)(C)CC(=O)N1CCC(=O)NCCN(CC(N)=O)CC1 1131362043 KSNGMXLNKDNNGI-UHFFFAOYSA-N 324.425 -0.276 30 20 DBED C#CCN[C@@H]1CCO[C@H]1C1CCN(C(=O)CNC(C)=O)CC1 1131413482 XCAHQLOTTJGXIN-ZBFHGGJFSA-N 307.394 -0.259 30 20 DBED C#CCNC(=O)CNCCNC(=O)C1(C2CC2)CCOCC1 1131812861 QOMLVXVJYHHGLO-UHFFFAOYSA-N 307.394 -0.352 30 20 DBED C#CCN1C[C@H](NC(=O)CCCN2C(=O)CNC2=O)CC[C@H]1C 1132477948 GYGAKYOVDUQFDJ-CHWSQXEVSA-N 320.393 -0.079 30 20 DBED C=CCCn1cc(C(=O)NCCN[C@H]2CCN(C)C2=O)nn1 1135075168 AIDXDSSOFVNESR-NSHDSACASA-N 306.370 -0.596 30 20 DBED C[C@H](C[C@@H](C)NC(=O)c1csnn1)NCC(=O)NCC#N 1135100803 GHHQLWLJFKJQDK-RKDXNWHRSA-N 310.383 -0.336 30 20 DBED CCCCN1CCCC[C@@H]1C(=O)NCCNCC(=O)NCC#N 1147358266 DYHSUUZSABQDIT-CQSZACIVSA-N 323.441 -0.013 30 20 DBED C#CCCN1CCC2(C1)CN(C(=O)CCS(=O)(=O)NC)C2 1147558098 LCOALTXMXZYFPO-UHFFFAOYSA-N 313.423 -0.517 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)[C@H]1C[C@H](C)CO1)C2 1147920188 IJLPJTMWZMRXPV-UONOGXRCSA-N 319.405 -0.305 30 20 DBED CC#CCN1CCC2(C1)CN(C(=O)[C@@H](C)NS(C)(=O)=O)C2 1148351327 JCSUFJBLKJDBOW-GFCCVEGCSA-N 313.423 -0.518 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1ccc(N(C)C)cc1 1148967336 UXRQASOVAUDTMN-UHFFFAOYSA-N 302.378 -0.179 30 20 DBED Cc1cc(C)n([C@H](C)CC(=O)NCCNCC(=O)NCC#N)n1 1151129598 ICTSYCHROFRLDU-CYBMUJFWSA-N 320.397 -0.203 30 20 DBED CN(C)Cc1ccccc1C(=O)NCCNCC(=O)NCC#N 1152394061 ZEWNZMKLDFJUFC-UHFFFAOYSA-N 317.393 -0.293 30 20 DBED C=CCNC(=O)CN(CC)[C@H](C)CNC(=O)COCCOC 1152420324 PEDZFMXDDMMWEU-CYBMUJFWSA-N 315.414 -0.222 30 20 DBED C=CCCOCC(=O)NCCNCc1nnc2n1CCOC2 1153081851 ZNRSPKJVZMUTJQ-UHFFFAOYSA-N 309.370 -0.393 30 20 DBED C=CCCO[C@@H](C)C(=O)NCCCN[C@H](C)C(=O)NC(N)=O 1155454709 KMZUHMWHWZOWTB-MNOVXSKESA-N 314.386 -0.353 30 20 DBED C[C@H](C#N)C(=O)NCCCNCCCS(=O)(=O)N(C)C 1155849478 YXYMYUIYYCUYKE-LLVKDONJSA-N 304.416 -0.477 30 20 DBED C#CCNC(=O)CC(=O)NCCCN[C@H](C)C(=O)NC(C)(C)C 1156857584 WNUBLLHRWWRZCA-GFCCVEGCSA-N 324.425 -0.475 30 20 DBED C#CCOCCC(=O)NCCC1(CNCc2nnnn2C)CC1 1164501909 XEAPJIMLTQAPTD-UHFFFAOYSA-N 320.397 -0.374 30 20 DBED C#CCNC(=O)CNCC1(CCNC(=O)CCCN(C)C)CC1 1166881483 DJBHSXSDHNTWDB-UHFFFAOYSA-N 322.453 -0.046 30 20 DBED C#CCCN1CCO[C@H]2CCN(C(=O)CNC(=O)CC)C[C@@H]21 1176961942 CVKHFZZXGGWJBJ-KBPBESRZSA-N 307.394 -0.162 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@H]1CCC(=O)N(C)C1 1177008143 VRPOZCXDQFMJEM-LBPRGKRZSA-N 310.398 -0.747 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@H](NCc2cnon2)[C@@H]1C 1178508579 KCDDKZCDRKMJOD-JQWIXIFHSA-N 305.338 -0.712 30 20 DBED O=C(C#CC1CC1)N1CC[C@@H](NC[C@@H](O)Cn2cccn2)C1 1182415342 ZLHATBWNNHIGKP-HUUCEWRRSA-N 302.378 -0.152 30 20 DBED COCC1(CC(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)CC1 1182465899 FRFCPBHSFYFVQL-GFCCVEGCSA-N 308.382 -0.367 30 20 DBED COCC#CCNC[C@H]1CCN(C(=O)CCNC(N)=O)C[C@H]1C 1185661682 FWHGBPJGGZCVHF-ZIAGYGMSSA-N 324.425 -0.231 30 20 DBED COCC#CCN1C[C@@H]2CCN(C(=O)[C@H]3COCCN3C)[C@@H]2C1 1187553742 PNVIADKXMYNQEV-ARFHVFGLSA-N 321.421 -0.501 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2ccccc2F)C1 1190675998 DGPIOWHNYBNGLQ-ZIAGYGMSSA-N 319.336 -0.650 30 20 DBED N#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)/C=C/c2ccco2)C1 1190700905 MYPZUWDWLRJYDA-CDJBXZAQSA-N 318.333 -0.906 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)c2ccccc2)C1 1190717626 LXAJLRDOBWMKQL-NWANDNLSSA-N 315.373 -0.401 30 20 DBED COCC#CCN(C)[C@@H]1CCN(C(=O)[C@@H]2CN(C)C(=O)N2)C1 1191717832 BTVBOEQHLRQPPX-OLZOCXBDSA-N 308.382 -0.808 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CN(CC(=O)NCc2ccco2)C[C@H]1O 1191865024 RMRVEHKMBYRCMX-RAIGVLPGSA-N 320.349 -0.783 30 20 DBED Cn1ccc(CN2C[C@@H](O)[C@H](NC(=O)C#CC3CC3)C2)cc1=O 1192769748 AGIAUSFPYFBYDJ-HUUCEWRRSA-N 315.373 -0.540 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(CCc2cnn(C)c2)C[C@H]1O 1192890740 BTTWAOCHUYDKLM-NWANDNLSSA-N 320.393 -0.838 30 20 DBED CC#CCN1CCCN(C(=O)CCNS(C)(=O)=O)CC1 1196041089 ZJOZRLPWICAUFW-UHFFFAOYSA-N 301.412 -0.517 30 20 DBED C#CCCNC1CCN(C(=O)[C@@H](C)NS(=O)(=O)CC)CC1 1200686436 PZVIYDYYTSSHLT-GFCCVEGCSA-N 315.439 -0.082 30 20 DBED C=C(C)CNC[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)CCCO1 1201648986 NCEXYHBUHAKCLJ-GFCCVEGCSA-N 324.381 -0.679 30 20 DBED C#CCNC[C@@H]1CN(C(=O)CNC(=O)c2ccco2)CCCO1 1201997380 GKARKJPHOCEGCX-CYBMUJFWSA-N 319.361 -0.150 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)[C@@H]2C[C@@H]2OCC)CC1 1204613718 GKNXAXMGCDCHQO-CABCVRRESA-N 321.421 -0.011 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)Cc1cccnc1 1206872304 YDQXQZRXQZKYFG-TZMCWYRMSA-N 315.377 -0.300 30 20 DBED CCn1cc(CN2C[C@@H](NC(=O)[C@@H](C)C#N)[C@H](OC)C2)nn1 1212045708 VMLFLXUABWRNNH-CYZMBNFOSA-N 306.370 -0.227 30 20 DBED COCC#CCN1C[C@@H](NC(=O)Cc2n[nH]c(C)n2)[C@H](OC)C1 1212239853 OQMSVCGSPWGNLP-CHWSQXEVSA-N 321.381 -0.879 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@@H](NCc2nnn(C)n2)[C@H](C)C1 1214602146 KUBMGSXROFNSEP-GRYCIOLGSA-N 306.370 -0.815 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1C 1215474349 NJFWREHZAPDREZ-IIAWOOMASA-N 322.453 -0.242 30 20 DBED C=CCCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1COC(=O)N1 1217770537 MGDAYIOBBDYRIN-RWMBFGLXSA-N 309.366 -0.027 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)CC2CCCC2)C1 1219117790 CATNKPVBPXISFM-YUELXQCFSA-N 321.421 -0.134 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C[C@H]2C=CCC2)C1 1219156053 VYYHTKBYRWMMHT-MJBXVCDLSA-N 307.394 -0.194 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)c2cc(CC)[nH]n2)C1 1219209285 ZADFTUFPSSYOBC-KGLIPLIRSA-N 308.382 -0.050 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2ccnc(F)c2)C1 1219309570 YBRAIEQAMJXZQJ-NEPJUHHUSA-N 322.340 -0.702 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(Cc2cnc(C)nc2)C[C@@H]1O 1219609095 AUWYBGOXVBFQEP-CABCVRRESA-N 318.377 -0.514 30 20 DBED C#CCC1(C(=O)N[C@@H]2CN(CC(=O)N(C)CC)C[C@@H]2O)CCC1 1219783991 NEZKNIPNFAXCKS-KGLIPLIRSA-N 321.421 -0.180 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)[C@]2(C)CCCOC2)C1 1220623541 OCLRDHGOIRUDMX-IJEWVQPXSA-N 310.394 -0.386 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)COc2ccsc2)C1 1220774679 OTZUBGXTJGRVFV-KGLIPLIRSA-N 324.402 -0.062 30 20 DBED C=CCNC(=O)CN1CCC(CNC(=O)[C@H]2CCNC2=O)CC1 1224025557 WBRJLOUYGCPXFC-ZDUSSCGKSA-N 322.409 -0.747 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCOC1 1225201552 DIJGWSCEHAPNGP-MGPQQGTHSA-N 307.394 -0.211 30 20 DBED COC[C@H](C)CC(=O)NC1CCN(CC(=O)NCC#N)CC1 1229839619 RHDXLIJKDNHRIA-GFCCVEGCSA-N 310.398 -0.121 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC(NC(=O)c2nonc2C)CC1 1230442981 XWLOJUGDQDHMLC-NSHDSACASA-N 319.365 -0.290 30 20 DBED COCC#CCN1CCC[C@H]1C1CCN(C(=O)C(N)=O)CC1 1230592151 SXJABULIZACKBS-AWEZNQCLSA-N 307.394 -0.176 30 20 DBED N#CCN(CCCNC(=O)CCNC(N)=O)Cc1cccnc1 1230918024 GGAIPLXGFAFOGF-UHFFFAOYSA-N 318.381 -0.028 30 20 DBED C=CCS(=O)(=O)CCNC(=O)NC[C@@H](CO)[C@H]1CCOC1 1256428902 VORWEJDFHUEHPU-RYUDHWBXSA-N 320.411 -0.469 30 20 DBED C[C@H](CS(C)(=O)=O)NC(=O)C(=O)N1CCC(CC#N)CC1 1258452239 RVRVYUOTBIBLEQ-SNVBAGLBSA-N 315.395 -0.312 30 20 DBED C=CC[C@H](CC)NC(=O)C(=O)N1CCN(CC(=O)NCC)CC1 1258512437 HWCGXTAFSMZETQ-ZDUSSCGKSA-N 324.425 -0.262 30 20 DBED C#CCOCCC(=O)N[C@H]1CCN(Cc2nc(N(C)C)no2)C1 1269025627 CTAGSKWQWCHQFT-LBPRGKRZSA-N 321.381 -0.134 30 20 DBED Cc1ccn(C[C@@](C)(O)C(=O)OCC(=O)NCC#N)c(=O)c1 1320990566 DDNQMWUVWRQSMK-CQSZACIVSA-N 307.306 -0.909 30 20 DBED C#C[C@@H](C)N(C)C(=O)C(=O)Nc1ccc(OCC(N)=O)cc1 1322119988 AQBCDDYOJYHIJP-SNVBAGLBSA-N 303.318 -0.031 30 20 DBED COCCn1cc(NC(=O)C(=O)N2CCO[C@H](C#N)C2)cn1 1322549356 PCHLVHBDZQJUSR-LLVKDONJSA-N 307.310 -0.781 30 20 DBED N#CCNC(=O)CNC(=O)C1CCN(C(=O)N2CCCC2)CC1 1322596442 ZWGPULXJUSPBQI-UHFFFAOYSA-N 321.381 -0.330 30 20 DBED O=C(N[C@H]1CCCN(O)C1=O)[C@@H]1CC12CCS(=O)(=O)CC2 1325090121 ZNDKRBIQNBWJKE-UWVGGRQHSA-N 316.379 -0.302 30 20 DBED C=C[C@H](CO)NCC(=O)N1CCC(C(=O)N2CCCC2)CC1 1327913203 LLHAXYVTEAOICR-CQSZACIVSA-N 309.410 -0.016 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N1C[C@@H](CO)OC(C)(C)C1 1328822958 IHIAXPBOPNIQNF-ZDUSSCGKSA-N 306.362 -0.530 30 20 DBED COCCCN(C)C(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1329718099 XXYXJCAECKYAQS-CYBMUJFWSA-N 308.382 -0.320 30 20 DBED N#CCn1cc(NC(=O)C(=O)N2CCC[C@H](CO)CC2)cn1 1330399363 YDJQVYNPMVJAAN-NSHDSACASA-N 305.338 -0.034 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)N2CCN(C3CCCC3)CC2)CCO1 1330947881 JBACXSVHCORDSA-CQSZACIVSA-N 320.393 -0.176 30 20 DBED C=C[C@@H](COC)NC(=O)c1cc(S(N)(=O)=O)ccc1O 1331156417 RWHXKCNHRFCMTL-QMMMGPOBSA-N 300.336 -0.030 30 20 DBED C#CCN(CC)c1nnnn1CCS(=O)(=O)NC(C)(C)C 1335649667 HWFDZWVVEDHNFG-UHFFFAOYSA-N 314.415 -0.150 30 20 DBED C=CCn1c(C(N)=O)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1340258196 GVSPPDBLXROGSZ-IINYFYTJSA-N 307.354 -0.053 30 20 DBED C#CCC[C@H](O)CNC(=O)C(=O)Nc1ccc2nc(C)nn2c1 1343516298 IQECTPKBICJCME-LBPRGKRZSA-N 315.333 -0.133 30 20 DBED C[C@]1(CO)CCCN(C(=O)C(=O)N2CCN(CCC#N)CC2)C1 1348598363 APINKNHABOQKJG-INIZCTEOSA-N 322.409 -0.335 30 20 DBED C[C@H](NC(=O)C(=O)N1CC[C@](F)(C#N)C1)c1nnnn1C1CC1 1351847902 KXRIZBPKJRFATI-SDBXPKJASA-N 321.316 -0.351 30 20 DBED CC[C@]1(O)CCN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1 1351849551 UJOPMFDTCYYUGP-BBRMVZONSA-N 320.393 -0.441 30 20 DBED CCN(C[C@H]1CCOC1)C(=O)Cn1cc(C#N)c(O)nc1=O 1361974015 SKBPQUUWZSGYNH-SNVBAGLBSA-N 306.322 -0.294 30 20 DBED N#Cc1cn(CC(=O)N2CC[C@H](c3ncon3)C2)c(=O)nc1O 1362892912 UDKDPJCSFJAPJB-QMMMGPOBSA-N 316.277 -0.780 30 20 DBED N#Cc1cn(CC(=O)NCc2ccc(OCC(N)=O)cc2)nn1 1364617677 VUUHLULQVUHAQD-UHFFFAOYSA-N 314.305 -0.670 30 20 DBED C[C@@H](C(=O)NC(N)=O)N1CCC(C)(NC(=O)[C@H](C)C#N)CC1 1368111852 JCTDJNXIUIYWOX-ZJUUUORDSA-N 309.370 -0.300 30 20 DBED C=C(Cl)CNC[C@@H]1CN(C(=O)CNC(=O)NC)CCO1 1368575900 GVYJHHGVWRGRHZ-SNVBAGLBSA-N 304.778 -0.515 30 20 DBED C=C(Cl)CN[C@H](C)CCNC(=O)CN1CCNC(=O)C1 1371809803 OLRTVJUFCHWHRV-LLVKDONJSA-N 302.806 -0.345 30 20 DBED COC[C@H](O)CN[C@H]1C[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 1397057564 SNRLWPFICFHREA-KGYLQXTDSA-N 306.366 -0.008 30 20 DBED CC[C@@H](NC[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCO1)C(N)=O 1407847128 XHBOOKPIBFAAFT-NWDGAFQWSA-N 319.365 -0.419 30 20 DBED C=C(Cl)CNC[C@@H](O)CN(C)C(=O)CN1CCOCC1 1410990629 SFKDKJWYKYNWMU-GFCCVEGCSA-N 305.806 -0.520 30 20 DBED N#Cc1cnn2c(O)cc(CN3CCN4C(=O)NC[C@@H]4C3)nc12 1412953952 ZGENXCVVJUDXKH-LLVKDONJSA-N 313.321 -0.484 30 20 DBED CC(=O)N(C)CC(=O)N[C@H]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 1414958059 ZXUKZHLJQWRGJL-HAQNSBGRSA-N 317.349 -0.258 30 20 DBED CCN(CCNC(=O)Cn1ccc(O)nc1=O)C(=O)[C@H](C)C#N 1415690136 JZMIUSVXTONFRS-SNVBAGLBSA-N 321.337 -0.927 30 20 DBED CC[C@@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)[C@@H]1COCCO1 1416197028 JPNPREWUROYUOD-AAEUAGOBSA-N 320.349 -0.074 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1cnoc1C1CC1 1416781426 IEHXXJNHTIGRCR-WPRPVWTQSA-N 306.322 -0.081 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)CN2CCCCC2=O)CC1 1417196651 GDWOVWXRDRTFKV-LLVKDONJSA-N 306.366 -0.076 30 20 DBED C[C@H](C#N)C(=O)NCCN1CCN([C@H](C)C(=O)N(C)C)CC1 1419131060 POLBTDVXHWIPOR-CHWSQXEVSA-N 309.414 -0.643 30 20 DBED C[C@H](CNC[C@@H](O)Cn1cccn1)NC(=O)c1cc(C#N)c[nH]1 1420274496 CPELHRKXELHBPI-DGCLKSJQSA-N 316.365 -0.148 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CC[C@H](NC(=O)Cn2cncn2)CC1 1432911033 NGXQOYAYJUFXBB-IJLUTSLNSA-N 304.354 -0.019 30 20 DBED C[C@H](CNC(=O)c1ccc(C#N)[nH]1)NC(=O)[C@H]1CCC(=O)N1 1433370237 OUUGQPZZJNWUCN-LDYMZIIASA-N 303.322 -0.601 30 20 DBED C[C@@H](CC(N)=O)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 1433807155 HSCFNKOVFXMINQ-WDEREUQCSA-N 316.365 -0.103 30 20 DBED N#CCCN1CCN(C(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)CC1 1434782571 LFZMJMNETKACQG-NWDGAFQWSA-N 309.370 -0.740 30 20 DBED CC(C)NC(=O)CN1CCN(CCNC(=O)[C@H](C)C#N)CC1 1436698993 JPEOLFRYGQRBHR-CYBMUJFWSA-N 309.414 -0.596 30 20 DBED Cc1c[nH]c(C(=O)NCCN2CCN(C(=O)[C@H](C)C#N)CC2)n1 1453930448 SMLOSKSSIUIRNA-LLVKDONJSA-N 318.381 -0.248 30 20 DBED CS(=O)(=O)c1ncnn1CC(=O)NCc1cccc(C#N)c1 1473078644 NVTLPMHODBVWTG-UHFFFAOYSA-N 319.346 -0.130 30 20 DBED C#CCN1CCC(C(=O)N[C@@H]2CCN(C[C@@H](O)COC)C2)CC1 1479972626 VKGYRPGPOARWDX-HZPDHXFCSA-N 323.437 -0.471 30 20 DBED CCN(CCC#N)C(=O)CN[C@H](C)[C@H]1CN(C(C)=O)CCO1 1485630567 IWSDHRWTSMUOLG-TZMCWYRMSA-N 310.398 -0.026 30 20 DBED C[C@H](C#N)C(=O)N(C)CCNC(=O)COCc1ccnn1C 1496186730 JCFKSUSRTVOSPW-LLVKDONJSA-N 307.354 -0.329 30 20 DBED CCN1C[C@@H](C(=O)NCCN(CC)C(=O)[C@H](C)C#N)CC1=O 1496787413 WFKVHOQWVIQDJV-NEPJUHHUSA-N 308.382 -0.021 30 20 DBED COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)C1CC2(CNC[C@H]2C#N)C1 1578782999 JHZKHNYUNYBTCH-BIWMVHNJSA-N 321.377 -0.349 30 20 DBED C#CCSCCNc1nc(O)n(C)c(=O)c1-c1nn[nH]n1 1588363850 FFQZXHJZRGVFTH-UHFFFAOYSA-N 307.339 -0.556 30 20 DBED C#C[C@H](CC)NC(=O)N1CCN([C@@]2(C(=O)O)CCOC2)CC1 1588369205 FKBDMNZDWJIFQP-DOMZBBRYSA-N 309.366 -0.031 30 20 DBED C#CCN(C(=O)C(=O)N[C@H]1C[C@H](C(=O)O)C1)C1CCN(C)CC1 1588395005 AVLWLVAKNKKTFG-HAQNSBGRSA-N 321.377 -0.478 30 20 DBED C#CCN(CC(=O)O)CC(=O)NC1(C(=O)OC)CCCCC1 1588419857 DSKIUQKGONIOEM-UHFFFAOYSA-N 310.350 -0.002 30 20 DBED CSC[C@](C)(C#N)NC(=O)[C@H](C)n1cnc(-c2nn[nH]n2)n1 1591691543 CVWAWTWLDVQTMN-CPCISQLKSA-N 321.370 -0.219 30 20 DBED N#CCCN1CCN(c2cnc(C#N)c(-c3nn[nH]n3)n2)CC1 1592677448 BEUHCMLTLACDJI-UHFFFAOYSA-N 310.325 -0.436 30 20 DBED N#Cc1ccc(C(=O)N2CCS(=O)(=O)C[C@@H]2CC(=O)O)o1 1601091832 BFEODXTYWMJOQM-QMMMGPOBSA-N 312.303 -0.135 30 20 DBED C#CCOCCN(C)S(=O)(=O)c1ccc(-c2nn[nH]n2)cn1 1602729163 HOHDLXGMLAYCIQ-UHFFFAOYSA-N 322.350 -0.468 30 20 DBED C=CCn1c(N2CC[C@@H](C(=O)O)C2)nnc1[C@@]1(O)CCOC1 1602730252 YWEUPMPEVXPULB-QMTHXVAHSA-N 308.338 -0.017 30 20 DBED N#Cc1cn(CC(=O)O)c(=O)n(C[C@@H]2C[C@@H]3CCC[C@H]3O2)c1=O 1605623094 UQDJCPPIEFPKSV-ZMLRMANQSA-N 319.317 -0.076 30 20 DBED N#Cc1ncc(NCC(=O)N2CCCO2)nc1-c1nn[nH]n1 1606398364 YFCOPGSHXGRTHC-UHFFFAOYSA-N 301.270 -0.896 30 20 DBED COCCN1C[C@H](C(=O)N2CC[C@H](CNCC#N)C2)CC1=O 1752938317 PESXSTWCCJCKTD-CHWSQXEVSA-N 308.382 -0.557 30 20 DBED C=CCN(C)C[C@H]1CCN(C(=O)Cn2ccc(O)nc2=O)C1 1753350803 SFTLHUYRKOFLIV-GFCCVEGCSA-N 306.366 -0.085 30 20 DBED N#CCNC(=O)CN1CC(NC(=O)CCOC2CCOCC2)C1 1753391413 RCNVIZYBSVBIBT-UHFFFAOYSA-N 324.381 -0.988 30 20 DBED C#CCNC(=O)[C@H](C)N1CC(CNC(=O)c2ccc(C#N)[nH]2)C1 1753400094 XEYLIOWRYBMJCL-NSHDSACASA-N 313.361 -0.314 30 20 DBED CCS(=O)(=O)CC(=O)N(C)[C@@H]1CCN(CC#CCOC)C1 1753450172 NTJANUKDMHZJBJ-CYBMUJFWSA-N 316.423 -0.396 30 20 DBED C#CCOCCC(=O)N1CCC[C@@H]([C@@H](C)NCC(=O)NC)C1 1753795009 UIIRGCHHPZAKLZ-ZIAGYGMSSA-N 309.410 -0.011 30 20 DBED C#CCNC(=O)[C@@H](C)NC/C=C/CNC(=O)Cc1cc(C)on1 1754102259 BMIIEGWEZDTJMN-URWSZGRFSA-N 318.377 -0.075 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC/C=C/CN[C@@H](CC)C(N)=O 1754132882 AHTVMBNPMCKABR-BEVHLOIGSA-N 306.410 -0.390 30 20 DBED C=CCN1CC[C@H](NC/C=C/CNC(=O)C2(C(N)=O)CC2)C1=O 1754163512 DQONHADVPOPYJN-PCAWENJQSA-N 320.393 -0.699 30 20 DBED CCc1cc(C(=O)N(C)CCCNCC(=O)NCC#N)n[nH]1 1754359001 AHBKCXSGFHJKOT-UHFFFAOYSA-N 306.370 -0.336 30 20 DBED C#CCNC[C@H]1CN(C(=O)CN(C)S(=O)(=O)CC)C[C@@H]1C 1754825218 XDYASCGLLMBVPU-STQMWFEESA-N 315.439 -0.415 30 20 DBED C=CCOCCN1C[C@H]2CN(C(=O)[C@@H]3CCC(=O)N3)C[C@H]2C1 1754846871 YGJNIJATWKAWEL-MJBXVCDLSA-N 307.394 -0.142 30 20 DBED Cc1cncn1CC(=O)NCCN1CCC(NCC#N)CC1 1754849323 PBANZSSBJFNMPM-UHFFFAOYSA-N 304.398 -0.115 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)[C@@H](CCCC)NC(N)=O)CO2)C1 1755067903 MKERYUFMHRQRES-QWHCGFSZSA-N 322.409 -0.194 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC(C)(NCC(=O)NCC#N)CC1 1755128287 ZOYHWIGRWPBVES-CYBMUJFWSA-N 320.393 -0.365 30 20 DBED C[C@@H](NCC(=O)NCC#N)[C@H]1CN(C(=O)C#CC2CC2)CCO1 1755441509 GSESBLBNEMWSAZ-TZMCWYRMSA-N 318.377 -0.755 30 20 DBED C#Cc1ccc(C(=O)N2CCO[C@@H]([C@H](C)NCC(N)=O)C2)cn1 1755462717 YNESKJZKQAEWBO-SMDDNHRTSA-N 316.361 -0.633 30 20 DBED C=CCCNC[C@H](O)CN(C)C(=O)C1CCS(=O)(=O)CC1 1755788824 AFCQKOXMSWHMOU-ZDUSSCGKSA-N 318.439 -0.204 30 20 DBED C#CCOCCC(=O)N[C@H](CO)CNC(=O)c1ccc(C)nc1 1756503572 KKFGACPHIIXNNV-AWEZNQCLSA-N 319.361 -0.363 30 20 DBED C=CCCC(=O)NC[C@@H](CO)NC(=O)C1(C(=O)N(C)C)CC1 1756508341 TUCAMPSDRONQCC-NSHDSACASA-N 311.382 -0.586 30 20 DBED CC(C)(C)C#CC(=O)NC[C@H](CO)NC(=O)CCc1cnn[nH]1 1756520019 SNWOLBJKKNJAJK-GFCCVEGCSA-N 321.381 -0.620 30 20 DBED CC#CCCCC(=O)N[C@@H](CO)CNC(=O)c1ccnnc1 1756552213 NWVIKMYMSPLIOH-CYBMUJFWSA-N 304.350 -0.123 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1=CCN(C(=O)CC(=O)NC)CC1 1756766789 NZWBXFYARZPQKX-MRXNPFEDSA-N 323.393 -0.276 30 20 DBED C=CCCC(=O)N(C)C[C@@H]1CCN1C(=O)c1nnc(O)nc1O 1757279565 YVPDBTREVGGBCP-VIFPVBQESA-N 321.337 -0.078 30 20 DBED CC(C)C#CC(=O)N1CC[C@@H]1CN(C)C(=O)[C@H]1CNC(=O)N1 1757301499 FEVAFKUZVOMIEV-VXGBXAGGSA-N 306.366 -0.614 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c(C)n[nH]c1C 1798017594 KXLYEOWKZQMZFC-JJLQDPRZSA-N 316.361 -0.137 30 20 DBED COCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)S 1800984337 QDIRDNPTEHGPOU-KQXIARHKSA-N 316.423 -0.069 30 20 DBED C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)C=CC1=O 1802542969 MAFGCFHCRMAGNQ-ZSBIGDGJSA-N 315.329 -0.817 30 20 DBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)C3(C)COC3)C2)C1 1839805054 BGVFHXJHDPREHC-MRXNPFEDSA-N 322.361 -0.888 30 20 DBED CN(C)C(=O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(C)(C)C#N 1847346366 COAUIESCKSMIOS-QWRGUYRKSA-N 306.366 -0.174 30 20 DBED COCCNC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 31070613 ITRNYNKWRJJOMA-UHFFFAOYSA-N 311.363 -0.059 30 20 DBED CN(C)C(=NCc1ccc(C(=O)NCC(N)=O)cc1)N(C)C 104163344 NTYMSHCJXSHTLZ-UHFFFAOYSA-N 305.382 -0.119 30 20 DBED COC1(C/N=C(\N)NCCCN2CCOCC2)CCOCC1 160620485 QIJGRVWUSRVNGP-UHFFFAOYSA-N 314.430 -0.191 30 20 DBED CCNC(=O)N1CCN(S(=O)(=O)CC2(C#N)CC2)CC1 164440483 GBDBFLJWNBHOLK-UHFFFAOYSA-N 300.384 -0.033 30 20 DBED C=CCNC(=O)CNC(=O)NCC(=O)NCCc1ccccc1 181205291 MFOWNKWVDFBSDS-UHFFFAOYSA-N 318.377 -0.053 30 20 DBED CC(C)[C@H](C#N)NC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 266295656 BKUBZTUVRWVWFJ-MMUTTWDGSA-N 305.334 -0.187 30 20 DBED COc1cc(C#N)ccc1OCC(=O)N1C[C@@H](O)C[C@H]1CO 274809111 MPEXALIJTVRDPO-RYUDHWBXSA-N 306.318 -0.100 30 20 DBED N#Cc1cccc(S(=O)(=O)NC[C@@H]2CC(C(N)=O)=NO2)c1 275834312 CUMMTAKWJAVVAX-VIFPVBQESA-N 308.319 -0.533 30 20 DBED N#Cc1ncccc1S(=O)(=O)NCCN1CCCOCC1 276970078 DNLFGFQSPHRPPK-UHFFFAOYSA-N 310.379 -0.046 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCn3cncc3C2)C1=O 290930974 MNSJZGWREOEADW-UHFFFAOYSA-N 317.305 -0.798 30 20 DBED C[C@@H](C/N=C(/O)N1CCN(C2CC2)C(=O)C1)N1CCOCC1 328713663 NXGLBWMVLRKYAH-LBPRGKRZSA-N 310.398 -0.072 30 20 DBED O=C(C1CCC1)N1CCN(CC/N=C(/O)N2CC(CO)C2)CC1 330111983 RMOYHMLGKIBNMD-UHFFFAOYSA-N 324.425 -0.231 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)NCCCN1CCOCC1 330373836 LVIIHMABULXEJX-GFCCVEGCSA-N 304.416 -0.365 30 20 DBED CCN(CC)S(=O)(=O)CC/N=C(/O)N1CC[C@@H](CO)C1 330820104 OMTBOONKLNTPQW-LLVKDONJSA-N 307.416 -0.114 30 20 DBED C[C@H](O)C[C@@H]1COCCN1/C(O)=N/[C@H](C)CS(C)(=O)=O 330976681 HPZQPDNRYPGVTN-OUAUKWLOSA-N 308.400 -0.195 30 20 DBED COC(=O)[C@H]1CNC(=O)CN1C(=O)c1ncc(C#N)cc1Cl 331005091 WCFYQBGFNIHYRE-SECBINFHSA-N 322.708 -0.280 30 20 DBED CCC1(CO)CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 336880528 CIIANENEPNDBGV-LBPRGKRZSA-N 317.411 -0.060 30 20 DBED COC1(C)CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 336933845 DIYSZOOOESWEFE-NSHDSACASA-N 303.384 -0.044 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N[C@H]2CCCC[C@H]2C(N)=O)CCO1 336950765 UANMNVDBMGQEKK-MXWKQRLJSA-N 316.383 -0.911 30 20 DBED N#C[C@H]1CN(S(=O)(=O)NCC2(C(N)=O)CCCC2)CCO1 337093585 NUHUKTBXQLEWTG-JTQLQIEISA-N 316.383 -0.909 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCC2(OC)CCC2)C1=O 348603517 VXNIQYIMGMCMMD-GFCCVEGCSA-N 323.393 -0.083 30 20 DBED N#CCNC(=O)CNS(=O)(=O)c1ccc2nc(O)[nH]c2c1 352533732 VGPKLQNOOYAFTK-UHFFFAOYSA-N 309.307 -0.813 30 20 DBED CCOC(=O)CCS(=O)(=O)NCCn1cnc(C#N)n1 352634014 VKHRHMNXPGDMSM-UHFFFAOYSA-N 301.328 -0.978 30 20 DBED C=CCNC(=O)CNC(=O)N1CCC[C@@H](S(C)(=O)=O)C1 359290127 MMNYQTXEYGEWOD-SNVBAGLBSA-N 303.384 -0.493 30 20 DBED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NC[C@@H](O)C2CC2)n1 359389963 OLIWJIKYLUZDPG-LLVKDONJSA-N 319.365 0.335 30 20 DBED C[C@@H]1CN(CC(=O)NC2(C#N)CCCCC2)C[C@H](C(N)=O)O1 363901635 UUMINZIJQXBLDQ-VXGBXAGGSA-N 308.382 -0.096 30 20 DBED C=CCN(CC=C)C(=O)C(=O)Nc1ncn(CC(=O)OCC)n1 425723098 HJQLJCLBKWBGFW-UHFFFAOYSA-N 321.337 -0.020 30 20 DBED N#CCCNC(=O)CCC(=O)N1CCN(c2ncccn2)CC1 427632968 YPCOPDISROKRSM-UHFFFAOYSA-N 316.365 -0.065 30 20 DBED CO[C@H]1COCC[C@@H]1CNc1c(C#N)c(=O)n(C)c(=O)n1C 450699430 XWRUAXVPMXDHEB-KOLCDFICSA-N 308.338 -0.581 30 20 DBED C#CCN1CCN(C(=O)CN(C)CCCn2ccnc2)CC1 490923906 NBOLBYIRHBBSGA-UHFFFAOYSA-N 303.410 -0.018 30 20 DBED C[C@@H]1CN(C(=O)NCC(=O)NCC#N)CCN([C@@H]2C[C@H]2C)C1 490969996 IQDDKCMVAVPKTF-YNEHKIRRSA-N 307.398 -0.002 30 20 DBED C#CCNC(=O)C1CCN(C(=O)[C@@H]2CN3CCCN2CC3)CC1 491203773 YXBGMKSDDHWWCN-HNNXBMFYSA-N 318.421 -0.636 30 20 DBED N#Cc1ncn(CC(=O)N[C@H]2CCN(CC(F)(F)F)C2)n1 532664819 KMLDGYFJWYEYSI-QMMMGPOBSA-N 302.260 -0.097 30 20 DBED N#Cc1ccc(S(=O)(=O)N[C@@H](C(=O)O)[C@@H]2CCOC2)o1 558473718 MPYSUKQHOJDLPI-GMSGAONNSA-N 300.292 -0.081 30 20 DBED Cc1c([C@@H]2C[C@H]2Nc2c(C#N)c(=O)n(C)c(=O)n2C)cnn1C 567063582 PPZFSOOQTSNKIC-JOYOIKCWSA-N 314.349 -0.034 30 20 DBED CS(=O)(=O)NC1CN(S(=O)(=O)CC2(CC#N)CC2)C1 599421203 AURDSVCPHBLBDG-UHFFFAOYSA-N 307.397 -0.757 30 20 DBED Cn1cc(N2C[C@@H](C(=O)N3CCN(CC#N)CC3)CC2=O)cn1 599538745 XEXGDQSBUHWWSR-LBPRGKRZSA-N 316.365 -0.559 30 20 DBED N#Cc1ccc(CNC(=O)C(=O)NC[C@@H]2COCCN2)c(F)c1 599950117 YBWFYKUZTMHBSU-GFCCVEGCSA-N 320.324 -0.582 30 20 DBED C[C@@H](O)[C@@H]1CCCN(C(=O)C(=O)N2CCN(CCC#N)CC2)C1 601436799 KBDIFRHKNHAVIB-ZIAGYGMSSA-N 322.409 -0.336 30 20 DBED CN(CCCNC(=O)Nc1nn(C)cc1C#N)S(C)(=O)=O 610565327 ZLQZEQVYJWINIL-UHFFFAOYSA-N 314.371 -0.305 30 20 DBED C#CCC[C@H](O)CNS(=O)(=O)c1scnc1C(=O)O 717920763 QTHBDSSGIBSBCF-ZETCQYMHSA-N 304.349 -0.106 30 20 DBED C=CCNC(=O)[C@H](C)OC(=O)CN1C(=O)C(=O)N(CC=C)C1=O 726042363 AYLGJDJVDRXZOS-VIFPVBQESA-N 323.305 -0.803 30 20 DBED CCOC(=O)C1=C(CN2CCO[C@@H](C#N)C2)NC(=O)N[C@H]1C 730062411 NRGOQUAMRLTLBI-UWVGGRQHSA-N 308.338 -0.271 30 20 DBED Cc1cc(NC(=O)c2cn(C)c(=O)n(C)c2=O)n(CCC#N)n1 735005880 ZCWJTTBIKIDWPZ-UHFFFAOYSA-N 316.321 -0.245 30 20 DBED C=CCNC(=O)COC(=O)c1cccc(CS(N)(=O)=O)c1 748966212 BOGYVXYAVBMCPG-UHFFFAOYSA-N 312.347 -0.066 30 20 DBED CC(=O)N1CCN(C(=O)[C@@H](C)n2ccc(C=NO)nc2=O)CC1 749797554 XADWNKSLXFJFLP-SNVBAGLBSA-N 321.337 -0.697 30 20 DBED C#CCN1CCN(C(=O)CN2CCN([C@H]3CCOC3)CC2)CC1 773484344 VAYBUJZDLLEPLX-INIZCTEOSA-N 320.437 -0.830 30 20 DBED C#C[C@@H](NC(=O)C(=O)N1CCCN(CC)C(=O)C1)[C@@H]1CCCO1 809313835 YDWRHRBHTXEFLR-OLZOCXBDSA-N 321.377 -0.636 30 20 DBED O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1CC[C@@H](C(=O)O)C1 819691772 XTCDDHUUNCPTIA-JFJDQEMCSA-N 322.321 -0.371 30 20 DBED CCOC(=O)[C@H]1CCCCN1C(=O)CN(CC#N)CC(=O)O 829832971 UFCNQNJPOOLKQD-LLVKDONJSA-N 311.338 -0.159 30 20 DBED Cc1cc(NC(=O)CSCC(=O)N[C@H]2CNC[C@H]2C#N)no1 834506839 WKSXQPRIGRJVJY-ZJUUUORDSA-N 323.378 -0.118 30 20 DBED NS(=O)(=O)c1ccc(OCCC(=O)NCC#CCO)cc1 848040463 KHEAUWPAGCNPDI-UHFFFAOYSA-N 312.347 -0.785 30 20 DBED C[C@@H](OC(=O)[C@@H]1CCCS1(=O)=O)C(=O)N(C)CCC#N 848860377 IJTVBNKFWSGXTM-ZJUUUORDSA-N 302.352 -0.133 30 20 DBED CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)C#CC2CCNCC2)O1 852887732 DHLLRPDRDOHMGF-UONOGXRCSA-N 307.394 -0.259 30 20 DBED COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N[C@H](C#N)CO 854872373 JGOURYBDJDYOGZ-SECBINFHSA-N 323.261 -0.205 30 20 DBED C#CC[C@H](CCOC)NC(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 875916967 QGJTWTJYBMKWMD-MNOVXSKESA-N 308.338 -0.640 30 20 DBED C#CCN1CCC[C@@H](NC(=O)N[C@@H](C)CS(C)(=O)=O)C1 884207205 OPARSANDEJABOO-NWDGAFQWSA-N 301.412 -0.184 30 20 DBED C#CCN1CCC[C@H](NS(=O)(=O)[C@@H](C)C(=O)N(C)C)C1 885512199 UAZFKYXKTXEYFK-RYUDHWBXSA-N 301.412 -0.520 30 20 DBED C#CC1(O)CN(C(=O)[C@H]2CCCN(S(=O)(=O)CC)C2)C1 890521396 CTCSZLTWJUQUHY-NSHDSACASA-N 300.380 -0.745 30 20 DBED C#CC1(O)CN(C(=O)[C@@H](CCSC)NS(=O)(=O)CC)C1 890523725 XLLPPRIDJPNTFF-SNVBAGLBSA-N 320.436 -0.746 30 20 DBED C#CC1(O)CN(CC(=O)NCc2ccc(OC)c(OC)c2)C1 934442031 WYQIWUMTTFVIJD-UHFFFAOYSA-N 304.346 0.000 30 20 DBED Cn1ncc(C(=O)N2CC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)n1 940060525 JMGCAAHKDVLGHE-SNVBAGLBSA-N 313.321 -0.341 30 20 DBED C#CCCN1CC[C@H](NC(=O)CN2CC(=O)N(C)C2=O)[C@H](C)C1 944135101 IMANMAVRLXHHLZ-OLZOCXBDSA-N 320.393 -0.270 30 20 DBED C[C@@H]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)C(N)=O 955798129 WLUKSFVCQFKZRH-SCZZXKLOSA-N 303.322 -0.519 30 20 DBED C=CCN1CC[C@@H](N2CCN(C(=O)[C@H]3CCN(C)C3)CC2)C1=O 957648940 BBYHAKIGMXIGQT-LSDHHAIUSA-N 320.437 -0.131 30 20 DBED C=CCN1C[C@@H](O)[C@H](CNC(=O)c2ccc3nc(O)[nH]c3n2)C1 958344052 DRMFOZXLBMZASI-BXKDBHETSA-N 317.349 -0.128 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2ncccc2O)C1 958830020 BEUOEGWYBRGKSE-SCVCMEIPSA-N 318.333 -0.409 30 20 DBED C#Cc1ccc(C(=O)N[C@H](C)[C@@H]2CCN(C(=O)C(N)=O)C2)cn1 959259953 DZMISAHTKZUVMI-ZYHUDNBSSA-N 314.345 -0.485 30 20 DBED CC#CCN1C[C@@H]2C(NC(=O)C3CCS(=O)(=O)CC3)[C@H]2C1 961911961 PNJPHYASDKKDJZ-STQMWFEESA-N 310.419 -0.119 30 20 DBED Cc1[nH]nc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)c1C 961964762 VUWBKPCPILXCPO-ONOSFVFSSA-N 305.338 -0.512 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)c1n[nH]cc1F 964355395 VISVBTVFLASPDT-DTWKUNHWSA-N 309.301 -0.334 30 20 DBED Cc1nn(C)cc1CC(=O)N[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1O 967274860 YZDPDEWWUBTZGH-WQAKAFBOSA-N 319.365 -0.881 30 20 DBED C#CCN1CC[C@@H](C)[C@@H](NC(=O)c2cnc(O)n(C)c2=O)C1 967701551 ORYVWKFQVHRZCX-PWSUYJOCSA-N 304.350 -0.441 30 20 DBED C#CCN1CC[C@@H](C)[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)C1 968544365 MHEDVCVAMSPSQX-ZYHUDNBSSA-N 314.349 -0.509 30 20 DBED C#CCN(C)[C@@H]1CCN(C(=O)CN2C(=O)NC(=O)C2(C)C)C1 972670683 MIWYCXUKYMNBLK-LLVKDONJSA-N 306.366 -0.517 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2cnn[nH]2)C1 974298266 HSVOCHYAAWRASK-KLBPJQLPSA-N 305.338 -0.227 30 20 DBED C#CCOc1ncccc1C(=O)NCC1[C@H]2CN(CCO)C[C@H]12 978979873 YOZIHOHSYSRWNW-HUUCEWRRSA-N 315.373 -0.007 30 20 DBED C=CCCN1C[C@H]2[C@H](CNC(=O)c3cn(CC(N)=O)nn3)[C@H]2C1 979080858 UKZAIFZFKGMPDW-CNDDSTCGSA-N 318.381 -0.753 30 20 DBED C=CCn1cc(C(=O)N2CCCN([C@@H]3CCNC3=O)CC2)nn1 982113608 MJWYVWPGAJTCNS-CYBMUJFWSA-N 318.381 -0.500 30 20 DBED C#Cc1ccc(C(=O)N2CC(NC(=O)Cc3ccnn3C)C2)nc1 991063803 XYHTWTOSEMUXBI-UHFFFAOYSA-N 323.356 -0.020 30 20 DBED C#CCCN1CC[C@]2(NC(=O)[C@@H]3CC(=O)NC(=O)N3)CCC[C@H]12 992287611 HZLUNTJKMYIHCU-MQIPJXDCSA-N 318.377 -0.279 30 20 DBED N#CCN1CC[C@@]2(NC(=O)CN3CCC(=O)NC3=O)CCC[C@@H]12 992428451 MERPDVUJNJXISI-ABAIWWIYSA-N 319.365 -0.435 30 20 DBED C#CCN1CCC(C(=O)NC2CN(C(=O)CC(C)(C)O)C2)CC1 993851155 ADZUGKLNCVFRFK-UHFFFAOYSA-N 321.421 -0.180 30 20 DBED CC1(C)CN(C(=O)[C@@H]2CCc3nnc(O)n3C2)C[C@@H]1NCC#N 995983049 WKYJIAYIRRTDIZ-MNOVXSKESA-N 318.381 -0.104 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CCN(C)C2=O)C1 997950734 ZWENKYBUVBAXJF-AGIUHOORSA-N 321.377 -0.617 30 20 DBED C[C@H](C#N)C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cn1cnnc1O 1002153161 QDKBEEURFLLCNA-DBIOUOCHSA-N 318.337 -0.609 30 20 DBED C#Cc1ccc(C(=O)NCC2CN(C(=O)c3cn(C)nn3)C2)cn1 1003468430 RFVFFTKQJYMGJU-UHFFFAOYSA-N 324.344 -0.307 30 20 DBED N#CCN1CCC(NC(=O)c2cn([C@H]3CCOC3)nn2)CC1 1003931852 WQHQIBPLYJBHJH-LBPRGKRZSA-N 304.354 -0.043 30 20 DBED Cc1nn[nH]c1C(=O)N1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 1011020422 UZGAGOJQJWWHCA-UHFFFAOYSA-N 313.321 -0.089 30 20 DBED CCn1nnc(C)c1C(=O)NC1[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]12 1013227015 RNKDPLPRMOVMGU-FBIMIBRVSA-N 316.365 -0.047 30 20 DBED Cn1c(O)ncc(C(=O)N[C@@H]2CC23CCN(CC#N)CC3)c1=O 1016762417 DCSZFJCGJQPOES-LLVKDONJSA-N 317.349 -0.406 30 20 DBED C=CC(C)(C)C(=O)N1CCC2(CN(C(=O)Cn3cnnn3)C2)C1 1018766050 YLHYNFDNWSCGMR-UHFFFAOYSA-N 318.381 -0.054 30 20 DBED C#CCN1[C@H]2CC[C@H]1CC(NC(=O)[C@H]1CN(C(C)=O)CCO1)C2 1021450112 LJKSDHMHMOJFRR-HRCADAONSA-N 319.405 -0.022 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]2CN(C(=O)c3cn(C)nn3)C[C@H]21 1022563895 CQDHBIPUOBIRJL-JBLDHEPKSA-N 302.338 -0.352 30 20 DBED Cc1nnc(CC(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2O)o1 1023598344 DNGKLFNCZBYHMN-VXGBXAGGSA-N 318.333 -0.978 30 20 DBED Cc1cn(C)nc1C(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1O 1023646866 TZJFGDHUAKUDST-JMJZKYOTSA-N 305.338 -0.810 30 20 DBED C=CCN1CC[C@@H](CNC(=O)C2CC3(C2)NC(=O)NC3=O)C1 1028864652 QAPFDOOTKXBAIN-NLTNOIMHSA-N 306.366 -0.401 30 20 DBED C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCS(=O)(=O)N1 1032789007 QAHKZDUMCPLVOB-AVGNSLFASA-N 313.423 -0.071 30 20 DBED C=CCN1CC[C@@H](N2CC[C@@H](NC(=O)[C@@H]3CCC(=O)N3)C2)C1=O 1032843155 KYZBWKKZXUSQFZ-FRRDWIJNSA-N 320.393 -0.758 30 20 DBED C=C(C)CCN1CC[C@H](N(C)C(=O)CN2CCNC(=O)C2)C1 1033328219 NJDYIAIVFLZXMH-AWEZNQCLSA-N 308.426 -0.083 30 20 DBED Cc1nc2nccc(C(=O)NC[C@H]3CN(CC#N)CCO3)n2n1 1035573219 IEAWAXQQFOBISM-NSHDSACASA-N 315.337 -0.613 30 20 DBED C#CCOCCC(=O)NC[C@@]1(O)CCN(C(=O)C2CCC2)C1 1039719608 XWZXSFLZNSFFSZ-INIZCTEOSA-N 308.378 -0.094 30 20 DBED N#Cc1cnc(N2C[C@@H](O)[C@H](NC(=O)c3cnns3)C2)cn1 1040942684 HJUWKPXEDUHFEX-RKDXNWHRSA-N 317.334 -0.821 30 20 DBED C#CCCCC(=O)N1CC[C@](O)(CNC(=O)Cc2nc[nH]n2)C1 1040968954 RBSSWAHDLNNLEW-HNNXBMFYSA-N 319.365 -0.770 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCCO3)C2)nn1 1040974475 APWCAGKGZJTFGZ-JHJVBQTASA-N 317.349 -0.417 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)c2ccccn2)C1 1041167641 VIFUSVOJXATRFV-UHFFFAOYSA-N 305.334 -0.413 30 20 DBED C[C@H](C(=O)N1CC[C@@]2(CCN(CC#N)C2)C1)N1C(=O)CCC1=O 1041338761 KUIUBCPPHWTGCN-MLGOLLRUSA-N 318.377 -0.028 30 20 DBED C#CCN1CC[C@]2(CCN(C(=O)C3CC(=O)NC(=O)C3)C2)C1 1041739716 ISSLYYUFBUWBBE-INIZCTEOSA-N 303.362 -0.403 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(O)(CNC(=O)[C@H]2CCOC2)C1 1041879141 XWMPRONDTQSVFQ-FZMZJTMJSA-N 312.366 -0.961 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)/C=C\c2ccc[nH]2)C1 1042039553 BOPDFEVDQVZZQQ-WAYWQWQTSA-N 319.361 -0.080 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)CCCCC(N)=O)C1 1042800991 DNYCLRUFVYTZDW-UHFFFAOYSA-N 323.393 -0.475 30 20 DBED C=C[C@@H](C)[C@H](C)C(=O)N1CC(O)(CNC(=O)c2ncn(C)n2)C1 1042897324 GTTKGGLCHWZMAW-MNOVXSKESA-N 321.381 -0.424 30 20 DBED CC(C)C#CC(=O)N1CC(O)(CNC(=O)[C@@H]2CO[C@H](C)C2)C1 1043626488 QXYZWAAYPUZKNS-OLZOCXBDSA-N 308.378 -0.240 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1044460337 PDUJZQZSTVSCON-NXEZZACHSA-N 311.338 -0.447 30 20 DBED C#CCCN1[C@H]2CC[C@H]1CN(C(=O)Cn1c(O)nnc1O)CC2 1045883735 WNEMPZNEBYRNLR-RYUDHWBXSA-N 319.365 -0.222 30 20 DBED CN1CC[C@H](C(=O)N2CCN([C@@H]3CCN(CC#N)C3)CC2)C1=O 1046056096 UWAOYUODFUBOGZ-KGLIPLIRSA-N 319.409 -0.793 30 20 DBED N#Cc1ccc(N[C@H]2C[C@H](CNC(=O)[C@@H]3CNC(=O)N3)C2)nc1 1047009556 OBRSJPWJVIZTFT-SRVKXCTJSA-N 314.349 -0.059 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)c2ccnnc2)C1 1047122064 TXACNGNDABNGDW-UHFFFAOYSA-N 302.334 -0.417 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cc3c([nH]2)CCOC3)C1 1047405914 BTTAKRUDXZMGOE-GJZGRUSLSA-N 303.362 -0.162 30 20 DBED C=CCCN1C[C@H]2CN(C(=O)CC[C@@H]3NC(=O)NC3=O)C[C@H]2C1 1049207131 UFDAPOIGHJLPAJ-XQQFMLRXSA-N 320.393 -0.059 30 20 DBED C[C@@H]1[C@@H](NC(=O)Cn2ncnn2)CCN1c1cnc(C#N)cn1 1050639300 HGHNXZQLNNARNK-KOLCDFICSA-N 313.325 -0.882 30 20 DBED CC#CCN1CCOC[C@H]1CNC(=O)c1ccnc(OC)n1 1051020574 ZVNXBXJJNDFTIV-GFCCVEGCSA-N 304.350 -0.061 30 20 DBED C=CCN1CCN([C@@H]2CCN(C(=O)[C@H]3CN(C)C(=O)N3)C2)CC1 1052060818 NBQVQXMYDMAORU-ZIAGYGMSSA-N 321.425 -0.586 30 20 DBED CC#CCN1CCN([C@H]2CCN(C(=O)c3nnn(C)n3)C2)CC1 1052067260 HITPHFQQCPZELL-ZDUSSCGKSA-N 317.397 -0.935 30 20 DBED C#CCCN1CCC[C@@H](NC(=O)Cn2ncn(C)c2=O)CC1 1052506394 DAGMUHJCYBHGIP-CYBMUJFWSA-N 305.382 -0.424 30 20 DBED C[C@H](C#N)C(=O)N1CCOC2(CN(Cc3cnn(C)n3)C2)C1 1053190904 HSYAHOGXNFNWQB-LLVKDONJSA-N 304.354 -0.612 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)C[C@@H]1COC(=O)C1)CCO2 1053221470 NHLKUZMAGUJGSR-ZDUSSCGKSA-N 306.362 -0.124 30 20 DBED C#Cc1ccc(C(=O)N2CCOC3(CN(CC(N)=O)C3)C2)nc1 1053512035 JYUQPNUIPFQZEY-UHFFFAOYSA-N 314.345 -0.925 30 20 DBED C#CCN1CC2(CC[C@H](CNC(=O)c3cn(CC)nn3)O2)C1 1053685463 QGZXGDDRINFQRE-GFCCVEGCSA-N 303.366 -0.106 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)C[C@@H]3CCCC(=O)N3)CO2)C1 1053865820 KAXAJBBFKVZHRU-QWHCGFSZSA-N 305.378 -0.362 30 20 DBED COc1nn(C)cc1C(=O)N[C@H]1COC2(C1)CN(CC#N)C2 1053891016 NTYYRSMOFRCCPF-SNVBAGLBSA-N 305.338 -0.475 30 20 DBED COCc1cc(C(=O)N[C@H]2COC3(C2)CN(CC#N)C3)no1 1053946754 CVSMPPXEDGVKIV-SNVBAGLBSA-N 306.322 -0.082 30 20 DBED N#Cc1ccc(N2CCN(C(=O)C3CS(=O)(=O)C3)CC2)nn1 1055914260 UZCWIDCUSPERQV-UHFFFAOYSA-N 321.362 -0.959 30 20 DBED Cn1cc(C(=O)N2CCN(c3nccnc3C#N)CC2)nc1O 1056003940 LUYUCLYLTSVJPK-UHFFFAOYSA-N 313.321 -0.250 30 20 DBED N#Cc1cncc(N2C[C@H]3C(NC(=O)c4cncnc4O)[C@@H]3C2)n1 1056329702 ANWQJOWMFRTKRV-GHMZBOCLSA-N 323.316 -0.292 30 20 DBED Cn1c(C(=O)N2CC[C@@H](N=c3cc[nH]c(C#N)n3)C2)cccc1=O 1056773965 ZUBARNZDPZQZIZ-LLVKDONJSA-N 324.344 -0.205 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)c1csnn1 1057199047 INOQFTMBQONFFM-UHFFFAOYSA-N 314.367 -0.709 30 20 DBED C=CCCOCC(=O)N(CCO)CCNC(=O)c1[nH]cnc1C 1057920662 YNVYNFBNHUNEDY-UHFFFAOYSA-N 324.381 -0.138 30 20 DBED Cn1nnc(C(=O)NC2CCN(c3ccc(C#N)nc3)CC2)n1 1057927564 BFHWPRIPUJAHDY-UHFFFAOYSA-N 312.337 -0.124 30 20 DBED CCn1cnc(C(=O)N(CCO)CCNC(=O)C#CC2CC2)c1 1058164885 IREGXXUXDOBSCH-UHFFFAOYSA-N 318.377 -0.133 30 20 DBED C=C[C@H](C)[C@@H](C)C(=O)N(CCO)CCNC(=O)Cn1cncn1 1058438407 WGISZXHAJHRHCN-QWHCGFSZSA-N 323.397 -0.327 30 20 DBED C=C(C)CCC(=O)NCCN(CCO)C(=O)c1c[nH]c(=O)cn1 1058603108 HVUNASNMXMRPLT-UHFFFAOYSA-N 322.365 -0.323 30 20 DBED C=CCCCC(=O)N(CCO)CCNC(=O)[C@H](C)NC(N)=O 1058621508 JAVPBRRVUXBOGC-NSHDSACASA-N 314.386 -0.663 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1058654770 HTMYPHPMRUJPDR-IIEFLBBWSA-N 321.377 -0.493 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)C(C)(C)c1cnc[nH]1 1058655426 YJWYAZWNIQESDD-NSHDSACASA-N 321.381 -0.216 30 20 DBED N#Cc1cnc(N[C@@H]2CC[C@@H]3CN(C(=O)C(N)=O)C[C@H]32)cn1 1060552372 DTWYGGOLGVTASN-FBIMIBRVSA-N 300.322 -0.518 30 20 DBED N#CCSCC(=O)NC[C@H]1CC[C@H](NC(=O)C(N)=O)CC1 1060805439 ZTGVQIZHZROTEC-MGCOHNPYSA-N 312.395 -0.480 30 20 DBED N#Cc1c[nH]ccc1=NC[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1 1060899735 IYQHFZXLQLRZBR-FZMZJTMJSA-N 313.361 -0.086 30 20 DBED C=CCCC(=O)NC[C@@H]1COCCN1C(=O)CCn1cncn1 1061396630 KMPXURHPMLCBHL-CYBMUJFWSA-N 321.381 -0.022 30 20 DBED C=CCOCC(=O)N1CCOC[C@H]1CNC(=O)c1cnon1 1061806987 ZMLUKHUZSKGJID-SNVBAGLBSA-N 310.310 -0.771 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)Cn1cccn1 1061845093 CIQYZWVWYSXMDP-RYUDHWBXSA-N 305.338 -0.614 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)c1ncccc1O 1061847259 JVHQIPAORIUHFV-QWRGUYRKSA-N 318.333 -0.096 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)c1cn(C)c(O)n1 1061848715 UMLPSIPQWGDZFG-VHSXEESVSA-N 321.337 -0.757 30 20 DBED N#Cc1cnc(N2CCO[C@@H](CNC(=O)c3cc[nH]n3)C2)cn1 1063611020 PPTLWUQVCYFBKV-NSHDSACASA-N 313.321 -0.293 30 20 DBED N#Cc1nccc(N2CC[C@H]3CN(C(=O)CC(N)=O)CC[C@@H]32)n1 1063999862 QNFNTZWTABYPHB-QWRGUYRKSA-N 314.349 -0.349 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)CN2CCCC2=O)CCC1 1064302068 CGBOBCZHLKTULL-LLVKDONJSA-N 306.366 -0.076 30 20 DBED CC(C)C#CC(=O)N1CCO[C@@H](CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 1065133222 QGPBXMPDQRPOHZ-XQQFMLRXSA-N 321.377 -0.889 30 20 DBED C=CC(C)(C)C(=O)N1CCO[C@H](CNC(=O)CNC(C)=O)C1 1065420639 LYDQBNAMYYNGAH-GFCCVEGCSA-N 311.382 -0.322 30 20 DBED C[C@H](Nc1ccc(C#N)nn1)[C@@H]1CCN(C(=O)CC(N)=O)C1 1065683601 CKKYSWMASLUHFW-VHSXEESVSA-N 302.338 -0.127 30 20 DBED N#CCSCC(=O)N[C@@H]1CCCN(C(=O)CC(N)=O)CC1 1065876479 CGXPLEVRBYCMPZ-SNVBAGLBSA-N 312.395 -0.384 30 20 DBED Cn1nnc(C(=O)N2C[C@@H]3CN(c4ccncc4C#N)C[C@@H]3C2)n1 1066050797 RCUUFBOOYSYYTP-TXEJJXNPSA-N 324.348 -0.315 30 20 DBED C#CCOCCC(=O)N[C@H]1CCCN(C(=O)CNC(N)=O)CC1 1066170017 ORYIEWYVTWMXPX-LBPRGKRZSA-N 324.381 -0.808 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCCN(C)C(=O)C[C@H]1CCNC1=O 1067593016 UKWGVDALUONOMY-NWDGAFQWSA-N 308.382 -0.021 30 20 DBED N#Cc1nccc(N2C[C@H](CNC(=O)c3cn[nH]c3)[C@@H](O)C2)n1 1067652140 VWQKMTLQOFFZMW-QWRGUYRKSA-N 313.321 -0.702 30 20 DBED CN(C[C@@H]1CCCN1C(=O)CC(N)=O)c1ccnc(C#N)n1 1067744159 RBXRVUUGGXDPLR-JTQLQIEISA-N 302.338 -0.349 30 20 DBED C=CCCC(=O)N[C@@H]1COC2(C1)CN(C(=O)CNC(=O)CC)C2 1068747113 HAMDSUTVDBWGBK-LBPRGKRZSA-N 323.393 -0.035 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1COC2(C1)CN(C(=O)c1cnco1)C2 1069002890 IPARUMYYLVCFAX-UWVGGRQHSA-N 304.306 -0.066 30 20 DBED C#CCCN1CCn2ncc(CNC(=O)[C@@H]3CCNC3=O)c2C1 1069870064 QEFGAKVYCBKMQO-CYBMUJFWSA-N 315.377 -0.526 30 20 DBED C#CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H]2CCCO2)C1 1069892344 SYBSHVBFNMRTCC-RDBSUJKOSA-N 303.366 -0.178 30 20 DBED C#CCN[C@@H]1CN(C(=O)[C@H]2CCCCN2C)C[C@@H]1n1ccnn1 1070219645 BDODUZJYVNHOPM-KFWWJZLASA-N 316.409 -0.263 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)[C@H]2C[C@H]2C(N)=O)CCOCC1 1070255734 OXHSFPZIKNCIFX-MXWKQRLJSA-N 322.365 -0.951 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CCCN(C(=O)CS(C)(=O)=O)C1 1070495558 MHEZHRYPMIXJHC-VHSXEESVSA-N 301.368 -0.702 30 20 DBED N#CCN1C[C@H]2C[C@@H]3CN(C(=O)Cc4cc[nH]n4)C[C@@]3(C1)O2 1070777971 HGXKOXDDCUBNGV-UXIGCNINSA-N 301.350 -0.223 30 20 DBED C#CCN1C[C@H]2C[C@H]3CN(C(=O)Cc4n[nH]c(C)n4)C[C@@]3(C1)O2 1070798580 VTCBEGPVBOLVQW-WOSRLPQWSA-N 315.377 -0.409 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CN(C(=O)c2ccoc2)C[C@@H]1C 1071590348 DYFVMVBNISMOGQ-AAEUAGOBSA-N 317.345 -0.004 30 20 DBED C=CCOCC(=O)N1C[C@H](C)[C@H](NC(=O)CNC(=O)C2CC2)C1 1071808193 FPVDICYMDKBCCY-WCQYABFASA-N 323.393 -0.322 30 20 DBED C#CCCCC(=O)N1C[C@H](C)[C@@H](NC(=O)Cn2cnnc2O)C1 1071997701 AACHEWSQNZSNPL-RYUDHWBXSA-N 319.365 -0.250 30 20 DBED C#CCCCC(=O)N[C@H]1CN(C(=O)Cn2ncnn2)C[C@H]1C 1072164029 COHOYLYQBBDWNL-NEPJUHHUSA-N 304.354 -0.560 30 20 DBED C[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@@H]1NC(=O)C#CC1CC1 1072390871 VTCLENCWEAYDQK-MFKMUULPSA-N 301.350 -0.195 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CN(C(=O)CCCF)C[C@@H]1C 1072537990 RWVWVZSOIBMVGT-RYUDHWBXSA-N 311.357 -0.161 30 20 DBED C[C@@H]1CN(C(=O)CCn2cnnn2)C[C@H]1NC(=O)C#CC1CC1 1072598924 CLXYDQBGCJBUIB-DGCLKSJQSA-N 316.365 -0.560 30 20 DBED C[C@H](NC(N)=O)C(=O)NC1(C)CCN(C(=O)[C@H](C)C#N)CC1 1073229118 QGTUDBIXLCQUHQ-ZJUUUORDSA-N 309.370 -0.300 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)[C@H]2COCCN2C(C)=O)C1 1073896146 LUGYIECQAQYRGM-HUUCEWRRSA-N 323.393 -0.926 30 20 DBED C=CCN1CCCO[C@H](CNC(=O)[C@@H]2CCCN2C(N)=O)C1 1073911052 FZCWPRVUGUZTTH-OLZOCXBDSA-N 310.398 -0.077 30 20 DBED C#CCCN1CCO[C@@H]2CCN(C(=O)c3cn(C)nn3)C[C@H]21 1074232606 CLNHHZIXLYPOKD-ZIAGYGMSSA-N 303.366 -0.246 30 20 DBED CC#CCN1CCO[C@@H]2CCN(C(=O)c3cnn(C)n3)C[C@@H]21 1074360182 MAZHNCKKDVUMCO-UONOGXRCSA-N 303.366 -0.246 30 20 DBED C#CCN[C@H]1CCN(C(=O)[C@@H]2Cc3cncn3C(=O)N2)[C@H]1C 1074767160 BZWDCVJIKDWFIM-DRZSPHRISA-N 301.350 -0.422 30 20 DBED C=CCOCCCC(=O)N[C@@H]1CCN(C(=O)C(N)=O)[C@H](C)C1 1074920293 XQXAQGFSZPLKMA-VXGBXAGGSA-N 311.382 -0.050 30 20 DBED C#CCO[C@H](C)C(=O)NCC[C@H](C)NC(=O)Cn1ccnc1 1076512397 XHTNIHGOLBGHTK-QWHCGFSZSA-N 306.366 -0.068 30 20 DBED C=CCO[C@H](C)C(=O)N[C@@H](C)CCNC(=O)c1c[nH]c(=O)cn1 1078078172 JQYRBVXZKYSURE-WDEREUQCSA-N 322.365 -0.014 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)c2cc(C(N)=O)ccn2)C1 1078300342 RGFRMFSCTKHSCJ-CHWSQXEVSA-N 304.350 -0.469 30 20 DBED C#CCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)Cn2cncn2)C1 1079776292 FFESUQHIVKSQOX-LBPRGKRZSA-N 319.365 -0.624 30 20 DBED C=CCOCC(=O)N1CC(N(CC)C(=O)CC(=O)N(C)C)C1 1079798366 GGEVNEZAEKIQOO-UHFFFAOYSA-N 311.382 -0.273 30 20 DBED CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)c2cnn(C)c2N)C1 1080411033 CWQARJMPQMJSNA-VIFPVBQESA-N 304.354 -0.165 30 20 DBED N#Cc1cc(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C(F)F)C2)c[nH]1 1081149322 HJHNPOLZMVROOK-WCBMZHEXSA-N 312.276 -0.299 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H]1CN(C(=O)C=C(C)C)C[C@@H]1O 1081417010 NBGIMRNMTNVNKM-STQMWFEESA-N 321.377 -0.972 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CCCCN1C(=O)CN1CCOCC1 1082012255 CNPJZOWRLOIKBV-KGLIPLIRSA-N 322.409 -0.024 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@H]2CCCS(=O)(=O)C2)[C@H](OC)C1 1082195687 SCYCQVAWYKHQAZ-YNEHKIRRSA-N 314.407 -0.740 30 20 DBED Cn1ccc(=O)c(C(=O)N2CCO[C@@H]3CN(CC#N)C[C@@H]32)c1 1083139571 JALTYPWLZGZFBR-GXTWGEPZSA-N 302.334 -0.566 30 20 DBED CC(C)c1nnnn1CC(=O)N1CCO[C@@H]2CN(CC#N)C[C@@H]21 1083218199 GQLJUVARHOXXTC-NWDGAFQWSA-N 319.369 -0.768 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CN(C[C@@H]3CCOC3)C[C@@H]2O)[nH]1 1083413353 KPYVCCHHBWNIHA-GDLCADMTSA-N 304.350 -0.302 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CN(C(C)C)CCO2)C1 1083723610 RKLVUBMDXUQSPS-ILXRZTDVSA-N 309.410 -0.720 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)c2c3n(c(=O)n2C)CCCC3)C1 1083783463 UDHOAHMRADHSNJ-YPMHNXCESA-N 320.393 -0.516 30 20 DBED C#CCN1CCC(C(=O)N[C@@H]2CN([C@H](C)COC)C[C@@H]2O)CC1 1084088103 PWPKHZUHBGKOMS-BMFZPTHFSA-N 323.437 -0.472 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)CCc3nnc(O)nc3O)[C@@H]2C1 1084480468 VYCLSUOTHXZFNF-ZYHUDNBSSA-N 317.349 -0.619 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)c2cccn3nnnc23)[C@H](O)C1 1090295964 UDQVIQVZZINKOS-QWHCGFSZSA-N 316.365 -0.135 30 20 DBED N#CCN1CC[C@H](NC(=O)c2cn3cccnc3n2)[C@@H](O)C1 1090384219 IVWIHUDIIKHVGU-JQWIXIFHSA-N 300.322 -0.582 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@H]1O 1090408287 OOUUYIMVFGVJPF-IOASZLSFSA-N 316.361 -0.054 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2cnc3nccn3c2)[C@H](O)C1 1090430942 QWZFFQVCYXXFTG-ZIAGYGMSSA-N 313.361 -0.082 30 20 DBED CO[C@H](C)CC(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1091073805 ZOHZCVBDJSKYTD-JLLWLGSASA-N 305.338 -0.561 30 20 DBED Cn1nncc1C(=O)N[C@@H]1CC2(CN(CC#N)C2)n2ccnc21 1092367019 ZREYOMWRALPUFV-SNVBAGLBSA-N 312.337 -0.579 30 20 DBED CC#CCN1CC(OC2CCN(C(=O)[C@H]3CCNC3=O)CC2)C1 1093559491 QIMQUEXBMMQHQW-HNNXBMFYSA-N 319.405 -0.162 30 20 DBED CN1C[C@H](C(=O)NCCNc2nccnc2C#N)CCC1=O 1093680078 MYAULPCGTYBUKY-SNVBAGLBSA-N 302.338 -0.255 30 20 DBED CCN1CCOC[C@@H]1C(=O)NCCNc1cnc(C#N)cn1 1093978025 UFFIHZOPPADARU-GFCCVEGCSA-N 304.354 -0.403 30 20 DBED COc1c[nH]c(C(=O)NCCNc2cncc(C#N)n2)cc1=O 1093994019 VKDPBRVGCJTCBS-UHFFFAOYSA-N 314.305 -0.113 30 20 DBED CN1CC[C@H](C(=O)NCCNc2cnc(C#N)cn2)CC1=O 1094239569 UTQPUVGKZDUQQO-JTQLQIEISA-N 302.338 -0.255 30 20 DBED C#CCN1CC(n2cc(CNC(=O)[C@H]3OCC[C@H]3C)nn2)C1 1094320441 GOJLZASHLGGBOA-RISCZKNCSA-N 303.366 -0.191 30 20 DBED CNC(=O)NC(C)(C)C(=O)NCCCNc1cncc(C#N)n1 1094461660 HLKSWMBVBPLRBI-UHFFFAOYSA-N 319.369 -0.026 30 20 DBED N#CCN1CC[C@@]2(CNC(=O)[C@@H]3CC(=O)NC(=O)N3)CCC[C@@H]12 1094527044 MRLNMWSNTYIUAJ-FIXISWKDSA-N 319.365 -0.531 30 20 DBED C#CCCN1CC(N2C[C@@H](NC(=O)[C@@]3(C)CCOC3)CC2=O)C1 1094800850 DLTAMKZLGWVLQU-GUYCJALGSA-N 319.405 -0.162 30 20 DBED N#Cc1cncc(NCCCNC(=O)CN2CCOCC2=O)n1 1094859746 DBRXTQCXNADBLF-UHFFFAOYSA-N 318.337 -0.875 30 20 DBED CCN(CCCNC(=O)Cn1nccn1)c1cncc(C#N)n1 1095924594 OYVUWCNHOXBNOS-UHFFFAOYSA-N 314.353 -0.027 30 20 DBED CCN(CCCNC(=O)Cn1nccn1)c1nccnc1C#N 1095924654 RXIMIRNQDHAMSD-UHFFFAOYSA-N 314.353 -0.027 30 20 DBED CNC(=O)CC(=O)N[C@H]1CCCN(c2cncc(C#N)n2)C1 1096162903 TWZXQVJFSUGXLK-JTQLQIEISA-N 302.338 -0.431 30 20 DBED CN(C)C(=O)CC(=O)N[C@H]1CCCN(c2nccnc2C#N)C1 1096237223 FAIJZVVHEFITHQ-NSHDSACASA-N 316.365 -0.088 30 20 DBED N#Cc1cncc(N[C@@H](CNC(=O)[C@H]2COC(=O)N2)C2CC2)n1 1096662445 NSHKYEQNLOYEED-WDEREUQCSA-N 316.321 -0.237 30 20 DBED Cc1ccc(C#N)c(N[C@H]2CCN(C(=O)CNC(N)=O)C2)n1 1096915982 DVOJKTAKMYLYDU-NSHDSACASA-N 302.338 -0.057 30 20 DBED COC(=O)NCC(=O)N[C@H]1C[C@H](N=c2cc[nH]c(C#N)n2)C1 1096990297 TVPACKZCSQPZSC-KYZUINATSA-N 304.310 -0.815 30 20 DBED Cc1cc(=N[C@H](C)CNC(=O)CCNC(N)=O)c(C#N)c[nH]1 1097855847 WKKSJYWSPXFRIA-SNVBAGLBSA-N 304.354 -0.341 30 20 DBED C=C(C)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cn(CC(N)=O)nn1 1098461782 OWLVFTRUCSSBNQ-WZRBSPASSA-N 318.381 -0.325 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CCN(CCn2cncn2)C[C@H]1O 1099820353 DBSHJPGTQHITDU-ZIAGYGMSSA-N 305.382 -0.511 30 20 DBED Cn1ccnc1COCC(=O)N[C@H]1CCN(CC#N)C[C@H]1O 1099888772 ZGNHTTIRZLSBBH-NWDGAFQWSA-N 307.354 -0.988 30 20 DBED C=C(C)CCN1CC[C@H](NC(=O)CCn2cnnn2)[C@@H](O)C1 1100046272 JGJJYWSESZZHKI-STQMWFEESA-N 308.386 -0.419 30 20 DBED CCN(CCNC(=O)CS(C)(=O)=O)c1cnc(C#N)cn1 1100470630 WFYFOYHRSSPJGU-UHFFFAOYSA-N 311.367 -0.665 30 20 DBED CCNC(=O)CC(=O)NCCN(CC)c1ccc(C#N)nn1 1100497128 PACIZFOCTHPRKV-UHFFFAOYSA-N 304.354 -0.183 30 20 DBED CN(C)C(=O)CC(=O)NC[C@H]1CCN(c2cncc(C#N)n2)C1 1101062291 GDJVFIWTBXCLRV-LLVKDONJSA-N 316.365 -0.231 30 20 DBED C#CCN1C[C@@H]2CN(C(=O)CS(=O)(=O)N(C)C)C[C@]2(C)C1 1101449790 LSRFCMCRGISAGN-OCCSQVGLSA-N 313.423 -0.709 30 20 DBED C[C@@H]1CN([C@@H]2CCNC2=O)C[C@H]1CNC(=O)CSCC#N 1101736117 OJOYFMJQRXNEIB-IJLUTSLNSA-N 310.423 -0.184 30 20 DBED Cc1cc(C#N)nc(NCCN(C)C(=O)Cc2nc[nH]n2)n1 1101772127 SQQRBXCYRMDMES-UHFFFAOYSA-N 300.326 -0.112 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)[C@@H]1CCNC(=O)CC1 1101869476 VNLSNGDZKQXVBK-NSHDSACASA-N 316.365 -0.443 30 20 DBED CNC(=O)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C)C#N)C1 1102785791 MGNNAHUQSMEOLZ-QJPTWQEYSA-N 323.397 -0.324 30 20 DBED C[C@@H](CNC(=O)C1CS(=O)(=O)C1)CNc1cnc(C#N)cn1 1104096418 IPQUWYYEXFSDOC-SECBINFHSA-N 323.378 -0.443 30 20 DBED COC[C@@H](C)C(=O)NC[C@@H]1CN(c2nccnc2C#N)CCO1 1104309750 HIHCPMDQUQAECD-VXGBXAGGSA-N 319.365 -0.048 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)N(C)C(=O)c1cn(C)nn1 1104546362 VBSSTWDAZUDKLU-VIFPVBQESA-N 300.326 -0.529 30 20 DBED Cc1cccc(C(=O)NC[C@H](O)CN=c2cc[nH]c(C#N)n2)n1 1105758227 PEMFFSQKVPPGDA-LLVKDONJSA-N 312.333 -0.324 30 20 DBED N#Cc1cccnc1NC[C@@H](O)CNC(=O)Cc1cncnc1 1105806269 SYSMEKBPQLKLGM-ZDUSSCGKSA-N 312.333 -0.125 30 20 DBED Cn1ccc(C(=O)NC[C@@H](O)CNc2ccc(C#N)cn2)n1 1105856129 OEJYSXQKDGZPSP-NSHDSACASA-N 300.322 -0.110 30 20 DBED COCC(C)(C)C(=O)NC[C@@H](O)CNc1cnc(C#N)cn1 1106022958 KLDXWZZXQHOMJT-NSHDSACASA-N 307.354 -0.090 30 20 DBED N#Cc1c(F)cccc1NC[C@@H](O)CNC(=O)C1(C(N)=O)CC1 1106098413 UTNCJWJXMDYZPW-SECBINFHSA-N 320.324 -0.148 30 20 DBED Cc1nnccc1C(=O)NC[C@@H](O)CN=c1cc[nH]cc1C#N 1106173390 PXYKALMHXZYILN-LBPRGKRZSA-N 312.333 -0.324 30 20 DBED CCN(CCN=c1cc[nH]cc1C#N)C(=O)Cn1cnnc1O 1106731958 OZDLCBRUDXIQRE-UHFFFAOYSA-N 315.337 -0.367 30 20 DBED CCN(CCNc1ccc(C#N)nn1)C(=O)C1(C(N)=O)CC1 1106942874 DCPOXTZEAMYXPC-UHFFFAOYSA-N 302.338 -0.126 30 20 DBED COC(=O)NCC(=O)N[C@H](C)CNc1nc(C)cc(C#N)n1 1107634782 QFFXZEOWYUQDKL-SECBINFHSA-N 306.326 -0.071 30 20 DBED C#CCNC(=O)CN1CCO[C@@](C)(CNC(=O)[C@H](C)CC)C1 1107752033 NMLGIXSHXGWZCM-CJNGLKHVSA-N 309.410 -0.011 30 20 DBED C[C@H](CNc1nccnc1C#N)NC(=O)[C@H]1CCCS1(=O)=O 1107773263 NZLLZPWFWDSESQ-MWLCHTKSSA-N 323.378 -0.158 30 20 DBED COc1cc(C(=O)NC[C@]2(C)CN(CC#N)CCO2)ncn1 1107947132 CSVGVCWGAUYLMN-CQSZACIVSA-N 305.338 -0.171 30 20 DBED CC(C)N1C[C@H](C(=O)NC[C@]2(C)CN(CC#N)CCO2)CC1=O 1107983281 IITIBJZBWKODPY-CZUORRHYSA-N 322.409 -0.026 30 20 DBED C[C@H](CN(C)c1ccnc(C#N)n1)NC(=O)CCn1cncn1 1108826473 ZFIRSFCKHHQCFD-LLVKDONJSA-N 314.353 -0.029 30 20 DBED CN(CCCN=c1cc[nH]c(C#N)n1)C(=O)[C@H]1COC(=O)N1 1109424779 ULONFBOBUGUHTO-SECBINFHSA-N 304.310 -0.861 30 20 DBED N#Cc1ccc(NC[C@@H](NC(=O)[C@H]2CNC(=O)N2)C2CC2)nn1 1109963929 UJGRQBIYVUXJRM-GHMZBOCLSA-N 315.337 -0.664 30 20 DBED C#CCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)N(C)C 1110551091 OMLUYCAMENCSLK-MCIONIFRSA-N 307.394 -0.164 30 20 DBED N#Cc1nccnc1N1CCC(F)(F)[C@H](CNC(=O)C(N)=O)C1 1111013926 LACPMLAVSCSDKO-MRVPVSSYSA-N 324.291 -0.589 30 20 DBED CO[C@H](C)C(=O)N(C)[C@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1111171359 ZVTMNSKLGNROIW-VWYCJHECSA-N 305.338 -0.609 30 20 DBED CO[C@H](C)CC(=O)N(C)[C@H]1CN(c2nccnc2C#N)C[C@@H]1O 1111175438 FGWTXUXPQHDXPH-WXHSDQCUSA-N 319.365 -0.219 30 20 DBED Cc1nc(NCCN(CCO)C(=O)CNC(N)=O)ccc1C#N 1111416928 VGLDYDZCAHLKGO-UHFFFAOYSA-N 320.353 -0.837 30 20 DBED CN(CCCN(C)c1nccnc1C#N)C(=O)C1(C(N)=O)CC1 1112175459 DTHKVYQPTNJJPR-UHFFFAOYSA-N 316.365 -0.102 30 20 DBED CC1(Nc2nccnc2C#N)CCN(C(=O)CNC(N)=O)CC1 1112344581 KCWCMCHAPBKFSC-UHFFFAOYSA-N 317.353 -0.190 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)CCc2ccco2)CC1 1112609383 CNXIPHKHQWAAQU-UHFFFAOYSA-N 304.350 -0.004 30 20 DBED N#Cc1ccc(NCC2CC(NC(=O)C3(C(N)=O)CC3)C2)nn1 1112869205 SUPMBMSPIWAXNU-UHFFFAOYSA-N 314.349 -0.080 30 20 DBED CCc1nc(C#N)cc(N[C@H](C)[C@H](C)NC(=O)CNC(N)=O)n1 1112894946 NNHDASBVHIVXPP-BDAKNGLRSA-N 319.369 -0.116 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)c2cncnc2O)CC1 1112997725 MHYZLRKBTKBGGK-LLVKDONJSA-N 319.365 -0.369 30 20 DBED C[C@H](N=c1cc[nH]cc1C#N)[C@H](C)NC(=O)CCNC(N)=O 1113038677 JVJNYENEIXAQCY-UWVGGRQHSA-N 304.354 -0.261 30 20 DBED Cc1nc(C(=O)N2CCN(CC(=O)NCC#N)CC2)cs1 1113254856 RGECDGBESFXUFJ-UHFFFAOYSA-N 307.379 -0.151 30 20 DBED C[C@@H](CNC(=O)CNC(=O)C1CC1)N(C)c1ccnc(C#N)n1 1113505039 OKTQFDJMDCDNRI-JTQLQIEISA-N 316.365 -0.185 30 20 DBED C[C@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)N(C)c1ccc(C#N)nn1 1113802063 GTAYWVZWCSJGHE-KOLCDFICSA-N 317.353 -0.687 30 20 DBED C[C@H](CNC(=O)[C@@H]1CNC(=O)N1)N(C)c1ccc(C#N)nc1 1113870428 YUMSUAVFWMAQSN-SKDRFNHKSA-N 302.338 -0.424 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)c3cnns3)[C@H]2C1 1113945055 ONFXQFLQQQSXTO-SVDPJWKOSA-N 319.390 -0.664 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3ccc(C#N)[nH]3)[C@H]2C1 1114143361 NBTILWHEJYPJBI-JYAVWHMHSA-N 313.361 -0.151 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@H]2CN(CCOCCCC)C[C@H]12 1114170593 SXDLHFGHNBORCX-KBPBESRZSA-N 321.421 -0.011 30 20 DBED C#CCO[C@H](C)C(=O)N[C@H]1[C@@H]2CN(CCS(C)(=O)=O)C[C@@H]21 1114271051 OKIXXXBEWCXRFM-NDBYEHHHSA-N 314.407 -0.884 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@@H](C)C(F)(F)F)[C@H]2C1 1114689793 QNJFBBVTIFPXGM-SVDPJWKOSA-N 317.311 -0.019 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)[C@H]3CC[C@@H](C)O3)[C@H]2C1 1114858782 HZLHHYWUAAFSCR-MROQNXINSA-N 305.378 -0.650 30 20 DBED CC(C)N(C)CC(=O)NC1[C@H]2CN(CC(=O)NCC#N)C[C@H]12 1115302173 OKYJCAILJSBRFV-RYUDHWBXSA-N 307.398 -0.987 30 20 DBED C[C@@H]1CN(CCNC(=O)C(=O)Nc2cnn(CC#N)c2)CCO1 1116332153 NERSAZSOWWTWBE-LLVKDONJSA-N 320.353 -0.818 30 20 DBED CC#CCCNC(=O)C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O 1117365614 JQANXYAGGKYCOK-VIFPVBQESA-N 319.283 -0.205 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N1CC[C@H](OCCOCC)C1 1117544609 OTURFDHKADEDHG-STQMWFEESA-N 314.382 -0.042 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)NCc1nn(CC)nc1C 1118117090 QYWGKCWUUJSHSH-UHFFFAOYSA-N 301.350 -0.292 30 20 DBED C=C[C@H](CO)NC(=O)C(=O)Nc1ccccc1C(=O)N(C)C 1118476556 BPKCNWBTYVOBNL-SNVBAGLBSA-N 305.334 -0.010 30 20 DBED C=CCOCCNC(=O)C(=O)N1CCC[C@H](CNC(N)=O)C1 1118624559 RICQKUNDJXSRCT-LLVKDONJSA-N 312.370 -0.788 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N1CCC(NC(=O)OC)CC1 1118702287 CPRRIKZSMLZHMA-JTQLQIEISA-N 313.354 -0.349 30 20 DBED CN1CCC[C@H]1C(=O)NC[C@H](CO)Nc1cncc(C#N)n1 1121242901 SFPSOWIUXZFXSR-NEPJUHHUSA-N 304.354 -0.669 30 20 DBED CN1CCOC[C@@H]1C(=O)NC[C@@H](CO)Nc1ccc(C#N)cn1 1121347179 XDLOYHAMTFELMP-QWHCGFSZSA-N 319.365 -0.827 30 20 DBED Cc1c[nH]c(C(=O)NC[C@H](CO)Nc2ccc(C#N)nn2)n1 1122688589 UCAUZFOLRFCBLR-SNVBAGLBSA-N 301.310 -0.417 30 20 DBED N#Cc1ccc(N2CC[C@@]3(NC(=O)CC(N)=O)CCC[C@H]23)nn1 1123393476 GYOCTLFBPBBBPW-NHYWBVRUSA-N 314.349 -0.159 30 20 DBED CN(C[C@@H](O)CNc1ncccc1C#N)C(=O)[C@@H]1COCCO1 1124045913 KPENNDFNVZILRV-STQMWFEESA-N 320.349 -0.400 30 20 DBED CN(C[C@H](O)CNc1cnc(C#N)cn1)C(=O)c1cnns1 1124092248 XTCKCIZQMWLPFX-SECBINFHSA-N 319.350 -0.255 30 20 DBED COCCOCC(=O)N(C)C[C@H](O)CN=c1cc[nH]cc1C#N 1124190499 HPRPMMLSAJZRBJ-CYBMUJFWSA-N 322.365 -0.731 30 20 DBED COC(=O)c1nc(=NC[C@H](O)CN(C)C(=O)[C@@H](C)C#N)cc[nH]1 1124191767 PGYYWDLGVWAXPM-UWVGGRQHSA-N 321.337 -0.924 30 20 DBED CN(C[C@@H](O)CNc1ccc(C#N)nn1)C(=O)Cc1ccon1 1124201103 RQMVRUIIYRZNOA-LBPRGKRZSA-N 316.321 -0.190 30 20 DBED CN(C[C@@H](O)CNc1nccnc1C#N)C(=O)c1cnn(C)n1 1124415260 ROKVFCXPEYOEJL-VIFPVBQESA-N 316.325 -0.978 30 20 DBED CN(C[C@H](O)CNc1ncccc1C#N)C(=O)c1cnon1 1124466279 MIHDCVAKIHKEPE-SNVBAGLBSA-N 302.294 -0.119 30 20 DBED CN(C[C@@H](O)CNc1ccc(C#N)nn1)C(=O)c1cncn1C 1124593092 VSNYGCJSFFNTOF-NSHDSACASA-N 315.337 -0.373 30 20 DBED COCC(=O)N(C)C[C@@H](O)CN(C)c1ncc(C#N)cc1F 1124924241 BNPBQOZBWOGZDA-LLVKDONJSA-N 310.329 -0.006 30 20 DBED COCCc1noc(CNCCNC(=O)c2ccc(C#N)[nH]2)n1 1125775852 BTNDWERLCKVQML-UHFFFAOYSA-N 318.337 -0.022 30 20 DBED CC[C@H](C)n1nccc1C(=O)NCCNCC(=O)NCC#N 1128444166 MCHUQYKXIRFULE-NSHDSACASA-N 306.370 -0.187 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)C[C@@H]2CCC(=O)NC2)C1=O 1129256806 UTRUSMQDLDIGKG-QWHCGFSZSA-N 322.409 -0.605 30 20 DBED C#CCCN[C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@@H]1n1ccnn1 1129910134 FGCDWXKGCZWTRK-KFWWJZLASA-N 318.425 -0.017 30 20 DBED C=CCCOCC(=O)N1C[C@H](n2ccnn2)[C@H](NCCCO)C1 1130151484 SUPXBMUZOYEFQB-KGLIPLIRSA-N 323.397 -0.405 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CCCN(C(C)=O)C1 1131016504 KCHMBXMQGNYDLX-GXTWGEPZSA-N 322.409 -0.911 30 20 DBED C=C(C)CN1CCNC(=O)CCN(C(=O)CNC(C)=O)CC1 1131323196 SVLLGTQQXCBTKB-UHFFFAOYSA-N 310.398 -0.651 30 20 DBED CCNC(=O)CC(=O)N1C[C@H](C)O[C@]2(CCN(CC#N)C2)C1 1131654245 YPMGMGMCLBLWMQ-WFASDCNBSA-N 308.382 -0.272 30 20 DBED COCC#CCNCCNC(=O)c1ccc(-n2cnnn2)cn1 1131754698 KBRUFGDLYVNVOX-UHFFFAOYSA-N 315.337 -0.974 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)C1(c2cc(C)no2)CC1 1132840793 OZJWVZGTISTHQS-GFCCVEGCSA-N 318.377 -0.142 30 20 DBED C[C@H](C[C@@H](C)NC(=O)Cc1ccn(C)n1)NCC(=O)NCC#N 1134338558 XMUHEXHFCFTIRT-VXGBXAGGSA-N 320.397 -0.525 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)COC(C)C)C2 1147122267 ONXBYBDDVFXHSO-UHFFFAOYSA-N 307.394 -0.305 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC2(CN(C(=O)[C@@H](C)COC)C2)C1 1147219443 XGAWUILSYIWCBT-UONOGXRCSA-N 321.421 -0.059 30 20 DBED C=CCOCCNCCNC(=O)CCC(=O)NCCCOC 1147295534 PQTJOFUEDKWRNV-UHFFFAOYSA-N 315.414 -0.172 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CCCC(=O)N1C 1149478078 ZUDKCLMZSPTGPJ-VXGBXAGGSA-N 310.398 -0.606 30 20 DBED C#CCCN1CCCO[C@@H](CNC(=O)CCn2cnnn2)C1 1150496868 GUVIKPXRJOYQTP-ZDUSSCGKSA-N 306.370 -0.706 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)C(=O)Nc2cc(C)on2)C1 1150706632 MAVYNHSMWPBTGO-LBPRGKRZSA-N 320.349 -0.238 30 20 DBED CC(C)S(=O)(=O)CC(=O)NC[C@@H]1CN(CC#N)CCCO1 1150731574 MXURZOAVJLUNDW-GFCCVEGCSA-N 317.411 -0.460 30 20 DBED COCC#CCNCCNC(=O)CNC(=O)c1ccccc1F 1150937492 LMQRCRIKUXLGKV-UHFFFAOYSA-N 321.352 -0.089 30 20 DBED N#Cc1c[nH]c(C(=O)NCCCNCCN2CCNC2=O)c1 1156282243 OYZZCDQWANJYIF-UHFFFAOYSA-N 304.354 -0.379 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCCNCCOCCNC(C)=O 1157201360 GUSVOYRTIJIGCK-OAHLLOKOSA-N 315.414 -0.438 30 20 DBED CNC(=O)NC(=O)CN(C)C[C@H]1CCCCN1C(=O)[C@H](C)C#N 1157696538 XQRIRIGOBHYCSG-VXGBXAGGSA-N 323.397 -0.085 30 20 DBED C#CCO[C@H](C)C(=O)NCCCNC[C@H](O)Cn1cccn1 1157881185 XRPFRVOSZZWDRE-KGLIPLIRSA-N 308.382 -0.622 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCCN[C@@H](C)c1nnnn1C 1160209717 UJNVQTSOBFHZAE-STQMWFEESA-N 319.413 -0.535 30 20 DBED N#CCN1CC=C(CCNC(=O)Cn2ccc(O)nc2=O)CC1 1160628756 VSNUXJZAAYHKEU-UHFFFAOYSA-N 317.349 -0.389 30 20 DBED COCC#CCNCCCNC(=O)[C@@H](C)CN1CCOCC1 1176152805 LEOVGOGMUIRQTR-HNNXBMFYSA-N 311.426 -0.300 30 20 DBED C#CCNC(=O)CNC[C@@H]1C[C@H]2CC[C@H]1N(C(=O)COCC)C2 1177614286 NVPFONZTZHVSMM-QLFBSQMISA-N 321.421 -0.011 30 20 DBED C[C@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)C1CCN(C)CC1 1179476097 JVWIWQRIPGMQCW-JSGCOSHPSA-N 321.425 -0.453 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)Cn2ccnc2)[C@H]1C 1180279591 GMVSZUCQQPLWFE-STQMWFEESA-N 305.382 -0.236 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H](C)NC(=O)CC)C1 1182766483 ZGBXPSAMMDAPHR-VXGBXAGGSA-N 310.398 -0.606 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)c2c(C)ncn2C)C1 1183449819 FZKJATBJPCUIEG-GFCCVEGCSA-N 305.382 -0.165 30 20 DBED C#CCNC[C@H]1CCN(C(=O)c2cnc(O)n(C)c2=O)C[C@@H]1C 1184921990 AFIKHFWDTSEYJO-NWDGAFQWSA-N 318.377 -0.193 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](N(C)CCNS(C)(=O)=O)C1 1189401525 YARMWJBSMQBKCB-WDEREUQCSA-N 302.400 -0.772 30 20 DBED COCC#CCN(C)[C@H]1CCN(C(=O)C[C@@H](C)NC(N)=O)C1 1190156001 PIPHOBAUBOYWSX-OLZOCXBDSA-N 310.398 -0.384 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2ccc(F)cc2)C1 1190659495 VHKQNORHLQGZFT-ZIAGYGMSSA-N 321.352 -0.097 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2cnnc(O)c2)C1 1190808239 GLIXSJVJURRNFZ-GFCCVEGCSA-N 319.365 -0.369 30 20 DBED COCC#CCN(C)[C@H]1CCN(C(=O)[C@@]2(C)CNC(=O)C2)C1 1191478108 CTTILJXYOHOLCE-XJKSGUPXSA-N 307.394 -0.305 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)CN2CCCC2)C1 1194027236 QCGSMDNHKJJYMB-AWEZNQCLSA-N 308.426 -0.083 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)c2c[nH]nc2C(C)C)C1 1194366178 ZYGBTMWADNNMJI-ZIAGYGMSSA-N 320.393 -0.042 30 20 DBED C=CCCOCC(=O)N1CC[C@H](N(C)[C@H]2CCC(=O)NC2=O)C1 1194387666 CVSBEMHWPMTKAM-STQMWFEESA-N 323.393 -0.083 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCCN(C(=O)c2cc[nH]n2)CC1 1194904521 DDWSTBZKXCNSLO-GFCCVEGCSA-N 303.366 -0.305 30 20 DBED CC#CCCCC(=O)N[C@@H]1CN(CC(=O)NCCC)C[C@H]1O 1195467595 PUTHKYMQNXNJQO-ZIAGYGMSSA-N 309.410 -0.133 30 20 DBED N#CCN1CCCN(C(=O)CNC(=O)C2CCOCC2)CC1 1197485858 ZEMWMZRROCYVCN-UHFFFAOYSA-N 308.382 -0.413 30 20 DBED C=CCNC(=O)CNC[C@H]1CN(C(=O)c2ncc[nH]2)CCCO1 1200429014 PAEAOJVSUNNPMN-LBPRGKRZSA-N 321.381 -0.467 30 20 DBED N#CCNC[C@@H]1CN(C(=O)CCn2ccccc2=O)CCCO1 1200636334 YIIWDJCVGZHJAU-CQSZACIVSA-N 318.377 -0.031 30 20 DBED C#CCNC(=O)[C@@H](C)NC1CCN(C(=O)C(C)(C)C(N)=O)CC1 1201141647 BPWOOUYJNIDMIE-LLVKDONJSA-N 322.409 -0.784 30 20 DBED CN(C)C(=O)CCCC(=O)N1CCCO[C@@H](CNCC#N)C1 1201879766 IFDNPTCPRCSTHV-ZDUSSCGKSA-N 310.398 -0.024 30 20 DBED C#CCNC[C@@H]1CN(C(=O)CS(=O)(=O)C(C)C)CCCO1 1202099928 WGQAHRJHMGPZAR-CYBMUJFWSA-N 316.423 -0.350 30 20 DBED N#CCNC(=O)CNC1CCN(C(=O)Cc2cscn2)CC1 1202794798 HRGYULYQEDVRHK-UHFFFAOYSA-N 321.406 -0.094 30 20 DBED C=CCNC(=O)CN[C@H]1C[C@@H](NC(=O)CC(=O)NC)C12CCC2 1202806568 VYLVFDOPTKEOSK-NWDGAFQWSA-N 322.409 -0.558 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)C[C@H]2CCOC2)[C@H](C)C1 1206695698 MCZSFYWWJIDQLT-MGPQQGTHSA-N 307.394 -0.401 30 20 DBED C=CCNC(=O)CN[C@H]1CCCN(C(=O)c2cn(C)nn2)C1 1207974985 MATXPKFMYHWZSE-NSHDSACASA-N 306.370 -0.689 30 20 DBED C#CCOCCC(=O)N1CCC[C@H](NCCn2cncn2)C1 1208028322 CAWGSSQOIYIVPG-AWEZNQCLSA-N 305.382 -0.101 30 20 DBED Cc1ncc(C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@H]2C)n1C 1208409828 VDOXNIJKIHBRLN-ZYHUDNBSSA-N 318.381 -0.582 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2cn(CC)nn2)[C@H](C)C1 1209835825 AOCLHGUSMQTKII-VXGBXAGGSA-N 318.381 -0.903 30 20 DBED C#CCOCCC(=O)N1C[C@@H](NCC(=O)NCC2CC2)[C@H](C)C1 1214608969 RZNHYPPORRTBLW-UKRRQHHQSA-N 321.421 -0.011 30 20 DBED COCC#CCN[C@@H]1CN(C(=O)C[C@@H]2CCNC2=O)C[C@H]1C 1214843263 JJUAAMFDMZNVSS-HZSPNIEDSA-N 307.394 -0.401 30 20 DBED C#CCCN[C@@H]1CN(C(=O)c2cnc(O)n(C)c2=O)C[C@H]1C 1215291596 CEOIGJYLCLSISJ-ZYHUDNBSSA-N 304.350 -0.441 30 20 DBED CCO[C@H](C)C(=O)N1CCO[C@@H]2CN(CC#CCOC)C[C@@H]21 1217348896 FTXLUNNAAFTECU-QLFBSQMISA-N 310.394 -0.027 30 20 DBED N#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@H]2CC=CCC2)C1 1219173622 OSFGCWUETWGKPH-XQQFMLRXSA-N 306.366 -0.856 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2cc[nH]c2CC)C1 1219550974 MTSSQDMSBUTLQG-KGLIPLIRSA-N 320.393 -0.346 30 20 DBED CC1(C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@@H]2O)CCCC1 1220092592 VLISEWJMVKMOLI-NEPJUHHUSA-N 308.382 -0.632 30 20 DBED C=C[C@@H](CC)CC(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@@H]1O 1220203969 WLEGSZNGIIEVTM-XQQFMLRXSA-N 308.382 -0.610 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2[nH]c(C)nc2C)C1 1220371849 XRLSQMNCWLZMHW-NEPJUHHUSA-N 321.381 -0.896 30 20 DBED COCC#CCN[C@H]1CCCN(C(=O)CCc2cn(C)nn2)C1 1222129457 FCQYXLWNKNDDMJ-AWEZNQCLSA-N 319.409 -0.022 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)COCCC)CC1 1222564980 RNCFRNILRLJIBQ-UHFFFAOYSA-N 309.410 -0.009 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)[C@]2(F)CCOC2)CC1 1228826558 MHNIAETVPMKSLU-HNNXBMFYSA-N 313.373 -0.002 30 20 DBED CC[C@H](NC(C)=O)C(=O)NC1CCN(CC(=O)NCC#N)CC1 1229321164 GXCDSCVXVABSAO-ZDUSSCGKSA-N 323.397 -0.879 30 20 DBED CCN(C)CCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCC#N 1229504546 VKUDQEIJRRAYOS-ZIAGYGMSSA-N 323.441 -0.015 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@H]1CN(C)C(=O)CSCC#N 1230818652 ANXBWQIBGHLPOB-STQMWFEESA-N 322.434 -0.086 30 20 DBED C#CCCN1CC[C@H]1CN(C)C(=O)CNS(=O)(=O)CC 1234976662 VEIQNWJQQQCDBX-LBPRGKRZSA-N 301.412 -0.518 30 20 DBED C=CCNC(=O)CNC(=O)Cc1c(C)[nH]c2ccnn2c1=O 1254245180 IMGHMGIBYJUOIC-UHFFFAOYSA-N 303.322 -0.708 30 20 DBED C#CCOCCNC(=O)C(=O)N(CCS(C)(=O)=O)C(C)C 1260264982 UTBWPYNHKVXWKF-UHFFFAOYSA-N 318.395 -0.966 30 20 DBED C[C@H](NC(=O)C(=O)N1CCO[C@@H](C#N)C1)C1=CCN(C)CC1 1261181967 HTBMLZVVEPEGCC-AAEUAGOBSA-N 306.366 -0.496 30 20 DBED N#CC[C@@]1(O)CCN(C(=O)C(=O)N2CCOC3(CCC3)C2)C1 1261486450 YEAACLHPFUEWPO-CQSZACIVSA-N 307.350 -0.355 30 20 DBED N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1ccon1 1320561796 MACKOJZHOMQYOU-UHFFFAOYSA-N 321.337 -0.312 30 20 DBED CC#CCCNC(=O)C(=O)NCc1cccc(OCC(N)=O)c1 1322387084 LJYAXXBNIGGUGA-UHFFFAOYSA-N 317.345 -0.304 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@@H](C)CCSC 1323750308 XPGWAZKAWJGBEG-JTQLQIEISA-N 322.452 -0.039 30 20 DBED N#CCCOCCOC(=O)Cn1cc(S(N)(=O)=O)cn1 1324273427 WIFYVELLPAFKSY-UHFFFAOYSA-N 302.312 -0.996 30 20 DBED C#C[C@@H](NC(=O)C(=O)NCCC(=O)NC(C)(C)C)[C@H]1CCCO1 1324350679 SJIDBIIZQPURJP-VXGBXAGGSA-N 323.393 -0.296 30 20 DBED CCOC(=O)Cn1cnc(NC(=O)C(=O)N(C)C[C@H](C)C#N)n1 1325948662 OYBFLDHKZQDNJH-SECBINFHSA-N 322.325 -0.602 30 20 DBED COCC#CC(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 1330372921 IXTYGMLAGBAVKE-GFCCVEGCSA-N 318.395 -0.759 30 20 DBED C=CCN(C(=O)C(=O)NCC[S@](=O)CC)[C@H](C)COC 1330446100 APZYBNMIMYOSLA-BIBXISHDSA-N 304.412 -0.079 30 20 DBED N#CCCCNC(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 1331108046 SQHIPKOYZMMJNX-ZDUSSCGKSA-N 308.382 -0.224 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N[C@H]1CCCN(CC)C1=O 1333637262 GREVVHCRWKTSHN-OLZOCXBDSA-N 323.393 -0.342 30 20 DBED C=CCn1c([C@H]2CC=NO2)nnc1N1CCO[C@H](C(=O)NC)C1 1342223996 AWCBFZVWADAEAF-MNOVXSKESA-N 320.353 -0.138 30 20 DBED C=CCN(C)c1nnc(CNS(=O)(=O)CC)n1CCOC 1342384761 GRSAWGGMMDVUMC-UHFFFAOYSA-N 317.415 -0.014 30 20 DBED C#C[C@@H](NC(=O)C(=O)N1CCN(C(=O)OC)CC1)[C@@H]1CCCO1 1347038715 JERMKGSFVIEWCE-NEPJUHHUSA-N 323.349 -0.806 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CCC(S(C)(=O)=O)CC1 1347040040 UGMMXUCZNPZSQP-SNVBAGLBSA-N 318.395 -0.661 30 20 DBED CC1(C)OCC(NC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)CO1 1349215115 PGEHFUJFDHZQJP-AWEZNQCLSA-N 311.338 -0.869 30 20 DBED N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)CO[C@H]1CCOC1 1361323643 VGHIZMMATJQRJB-JTQLQIEISA-N 321.337 -0.138 30 20 DBED CC(C)n1[nH]cnc1=NC(=O)Cn1cc(C#N)c(O)nc1=O 1363118228 PMBLUFVCPLZNOO-UHFFFAOYSA-N 303.282 -0.946 30 20 DBED Cn1nnc(CNS(=O)(=O)Cc2ccc(F)cc2C#N)n1 1364857103 UEANGWXGIUPGEO-UHFFFAOYSA-N 310.314 -0.160 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CN([C@H](C)C(=O)N2CCCCC2)C1 1368288604 LLDPTZJGKVNRNA-CHWSQXEVSA-N 322.409 -0.290 30 20 DBED CCCN(CCNC(=O)[C@@H](C)C#N)C(=O)[C@@H]1CN(C)CCO1 1374164913 ACEWPFLAOOYYGK-STQMWFEESA-N 310.398 -0.169 30 20 DBED C[C@H](C#N)C(=O)N(C)C[C@H]1CCN(C(=O)c2cnnn2C)C1 1387615032 SBYXZPHPUGCQMY-GHMZBOCLSA-N 304.354 -0.105 30 20 DBED CCCn1cc(C(=O)NC[C@H](O)CNC(=O)[C@@H](C)C#N)cn1 1389112727 MNOOOHIKKVQMGR-CMPLNLGQSA-N 307.354 -0.340 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)c2cc(C(N)=O)ccn2)CC1 1393726583 YBWVAVJOXKKRJC-SECBINFHSA-N 315.333 -0.281 30 20 DBED C[C@@H](NC[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCO1)C(N)=O 1402610883 RPLIGUQPJQUGDW-MWLCHTKSSA-N 305.338 -0.809 30 20 DBED C[C@@H](C#N)C(=O)N(C)CC(C)(C)CNC(=O)[C@H](C)NC(N)=O 1442617489 ZHXGFSUGIMTRCV-UWVGGRQHSA-N 311.386 -0.196 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CCN(C(=O)CCN2CCOCC2)C1 1454875813 LFXNCHSEZUGKNC-KGLIPLIRSA-N 322.409 -0.167 30 20 DBED C[C@@H](C#N)C(=O)NC[C@](C)(NC(=O)CCn1cnnn1)C1CC1 1457119055 CHNSOMYEFNVJJF-HZMBPMFUSA-N 319.369 -0.376 30 20 DBED CCn1cc(C(=O)NCCN(C)c2cncc(C#N)n2)nn1 1487405658 RAYKYWVXELUGHZ-UHFFFAOYSA-N 300.326 -0.174 30 20 DBED C[C@@H](CN(C)C(=O)c1cc(C(N)=O)c[nH]1)NC(=O)[C@@H](C)C#N 1487882103 IHUBVTCCBXKAHV-IUCAKERBSA-N 305.338 -0.150 30 20 DBED C[C@H](C#N)C(=O)NC1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1573575988 CIONZNDTNWTRID-SSDOTTSWSA-N 314.309 -0.705 30 20 DBED N#Cc1nc(N2CCOC[C@H]2CCO)cnc1-c1nn[nH]n1 1581879286 FHDRPFSVIJMVLH-MRVPVSSYSA-N 302.298 -0.884 30 20 DBED C#CC[C@H](CO)NC(=O)c1ccc(-c2nn[nH]n2)cc1OC 1588332108 VUYUIUJOYSIPRB-SNVBAGLBSA-N 301.306 -0.011 30 20 DBED C#CCNC(=O)CN1CCCN(c2ccc(C(=O)O)nn2)CC1 1588483555 AOVSFSUPQGFTHX-UHFFFAOYSA-N 317.349 -0.564 30 20 DBED C=CCNC(=O)CN1CCC(C)(NC(=O)[C@@H]2C[C@H]2C(=O)O)CC1 1588839823 WJHCPMYWXOLRQA-VXGBXAGGSA-N 323.393 -0.020 30 20 DBED CN(CCCN(C)C(=O)[C@@H]1C[C@H]1C(=O)O)CC(=O)NCC#N 1598477614 SOTCGFKCTAGTEY-GHMZBOCLSA-N 310.354 -0.873 30 20 DBED C#CCC[C@@H](O)CNS(=O)(=O)c1ccccc1-c1nn[nH]n1 1602703523 TXGOYLBPKZCUPP-SNVBAGLBSA-N 321.362 -0.081 30 20 DBED C=C[C@@H](NCC(=O)NCC(=O)N(C)Cc1ccccc1)C(=O)O 1602819247 QTDQSKHYBZEJKI-CYBMUJFWSA-N 319.361 -0.010 30 20 DBED O=C(Cn1cnc(-c2nn[nH]n2)n1)NCC#Cc1ccccc1 1606620089 BBOIVXKKRJYWAQ-UHFFFAOYSA-N 308.305 -0.374 30 20 DBED N#Cc1ccc(S(=O)(=O)NC2(C(=O)O)CC(CO)C2)cn1 1608210063 BBDBTRPOXVGSMQ-UHFFFAOYSA-N 311.319 -0.543 30 20 DBED COc1cc(C#N)ccc1OCC(=O)N1C[C@H](O)C[C@H]1C(=O)O 1610279407 FQGIWMYBEOYROX-MNOVXSKESA-N 320.301 -0.008 30 20 DBED N#CCN[C@H](CNC(=O)CCCn1c(O)nnc1O)C1CC1 1752470921 KREGUSSILPKJRX-SNVBAGLBSA-N 308.342 -0.523 30 20 DBED CC1(C(=O)N[C@H]2C[C@H](NCC(=O)NCC#N)C2)CCOCC1 1752672739 XUPUANRTEHWFHI-HAQNSBGRSA-N 308.382 -0.320 30 20 DBED COCC1(C(=O)NC[C@H]2CCCN(CC(=O)NCC#N)C2)CC1 1752782643 PKMSPEYOEKBMLM-CYBMUJFWSA-N 322.409 -0.119 30 20 DBED CNC(=O)NC(=O)[C@@H](C)N(C)CCNC(=O)C#CC(C)(C)C 1753048946 LLJNEJFVRVEGHJ-LLVKDONJSA-N 310.398 -0.072 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCN(CC)CC(=O)NCC 1753083748 PKNAWRVKLMCULO-AWEZNQCLSA-N 308.426 -0.342 30 20 DBED C=CCNC(=O)CN1CCC[C@@H]1CNC(=O)c1cncn1C 1753103255 JJWKQMIBJQMYEV-GFCCVEGCSA-N 305.382 -0.084 30 20 DBED C#CCNC(=O)CNCCN(C)C(=O)COc1cc(C)on1 1753199599 PEPPZVGEJZVMPJ-UHFFFAOYSA-N 308.338 -0.841 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C[C@H]1CN2C(=O)c1cncn1C 1753423473 LLWWTODPYOJAGU-RYUDHWBXSA-N 301.350 -0.932 30 20 DBED C#CCCN[C@@H](CC)CNC(=O)Cn1nc2n(c1=O)CCCC2 1753492133 ICADYDYYONTHAB-ZDUSSCGKSA-N 319.409 -0.111 30 20 DBED CC(C)[C@@H](CNC(=O)[C@H](C)n1cncn1)NCC(=O)NCC#N 1753831017 ZURKHMQSBNALMS-NWDGAFQWSA-N 321.385 -0.791 30 20 DBED C=CCCNC[C@H](O)CNC(=O)C[C@@H]1CCCS(=O)(=O)C1 1753934324 VFQFSTLQFSWKLK-STQMWFEESA-N 318.439 -0.156 30 20 DBED C#CCNC(=O)CN1CCC(C)(NC(=O)CCN(C)C)CC1 1754628826 HJXDTMIRXDKWHI-UHFFFAOYSA-N 308.426 -0.342 30 20 DBED C[C@@]1(CNCC(=O)NCC#N)CCN(C(=O)c2cncnc2)C1 1754693237 QRZJSEOQJBPAGM-HNNXBMFYSA-N 316.365 -0.442 30 20 DBED CC#CCCCC(=O)NCC1(O)CN([C@@H]2CCCN(C)C2=O)C1 1754772450 IYWXPMMRDDXMES-CQSZACIVSA-N 321.421 -0.036 30 20 DBED C=CCN1CCOC[C@H]1CNC(=O)CN1CCCS1(=O)=O 1754967733 OBMFONQPQRHNHB-GFCCVEGCSA-N 317.411 -0.975 30 20 DBED C#CCNC[C@H]1CN(C(=O)c2nnn(C(C)(C)C)n2)CCO1 1755001004 SNQZNKPQXFTDSA-NSHDSACASA-N 306.370 -0.508 30 20 DBED C#CCCNCC(C)(C)CN(C)C(=O)C[C@@H]1NC(=O)NC1=O 1755282475 UGYISYSCPHINDU-NSHDSACASA-N 308.382 -0.318 30 20 DBED C=CCCN1CC(CCO)(NC(=O)[C@H](C)S(C)(=O)=O)C1 1755333092 WVYMESDJQMEOQA-NSHDSACASA-N 304.412 -0.451 30 20 DBED C=C[C@@](C)(O)CC(=O)N(C)C[C@@H](O)CNCc1nncs1 1755778420 VVSYDEUSTCDPTG-GXFFZTMASA-N 314.411 -0.226 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H](O)CNCc1cnn(C)n1 1755788012 JQPPVDIGKVKRMZ-MJBXVCDLSA-N 323.397 -0.685 30 20 DBED C=CCOCC(=O)N[C@H]1C[C@H](C)N(C(=O)c2cn(C)nn2)C1 1756587239 GVWBATIVLBNZHS-QWRGUYRKSA-N 307.354 -0.263 30 20 DBED C=CCC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)CNC(C)=O)C1 1756975697 PBDMXHHOBGYEAQ-VXGBXAGGSA-N 311.382 -0.587 30 20 DBED Cc1ncc(C(=O)N2C[C@@H](O)[C@H](NC(=O)CSCC#N)C2)[nH]1 1756979188 IMKSJJBPCALTSC-GHMZBOCLSA-N 323.378 -0.724 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)Cn1cc(C)cn1)CCO2 1783049139 QDIRUAIVKQMDDE-MRXNPFEDSA-N 316.361 -0.345 30 20 DBED C=CCC(=O)N1CCO[C@@]2(CCN(C(=O)CNC(C)=O)C2)C1 1783146710 NPJIQKPYOQCPNN-OAHLLOKOSA-N 309.366 -0.472 30 20 DBED C[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN)[C@H]2C1 1786798133 QTEGMQYOSZJTPB-NAKRPEOUSA-N 301.412 -0.757 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C)nn1C 1794748332 HPKJMQMVTKZPBL-JJLQDPRZSA-N 316.361 -0.435 30 20 DBED C=CCNC(=O)COC(=O)CN1C(=O)NC2(CCCC2)C1=O 21815695 ZLLQWUZETSDQRN-UHFFFAOYSA-N 309.322 -0.304 30 20 DBED CN(C)S(=O)(=O)/N=C(\O)COc1ccc(C(N)=O)cc1 49135644 GUCNANCWPUFPDQ-UHFFFAOYSA-N 301.324 -0.073 30 20 DBED CCOCCCN/C(N)=N/C[C@H]1CCN(S(C)(=O)=O)C1 133858281 CUOCHSVFJZJIKX-LLVKDONJSA-N 306.432 -0.401 30 20 DBED C[C@@H](NC(=O)CN1CCOC[C@H]1C#N)C(=O)N1CCCCC1 245424655 KFGJOWOTRVKQEY-CHWSQXEVSA-N 308.382 -0.272 30 20 DBED CC(=O)NCCN([C@@H](C)C(=O)O)S(=O)(=O)CCCCC#N 262485958 WPILIYSYNZEHEY-JTQLQIEISA-N 319.383 -0.079 30 20 DBED N#C[C@H]1CN(C(=O)NCCNC(=O)c2cccnc2)CCO1 264411573 QZLPXZFQYYFLJT-LBPRGKRZSA-N 303.322 -0.255 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C)CC(=O)OC)C1=O 264984738 LIPDYLFUYRYLLE-MRVPVSSYSA-N 311.294 -0.969 30 20 DBED CN1CC[C@@H](N(C)C(=O)CNC(=O)c2ccc(C#N)cc2)C1=O 265804296 OBKUCSLDOKHXQI-CYBMUJFWSA-N 314.345 -0.023 30 20 DBED C=CCCOCCNC(=O)NCCNS(=O)(=O)NC(C)C 277409382 GJHYCKBTPAIDPQ-UHFFFAOYSA-N 322.431 -0.289 30 20 DBED CCOC1CC(O)(CNc2c(C#N)c(=O)n(C)c(=O)n2C)C1 277977864 LXPNJFDYWMBBQI-UHFFFAOYSA-N 308.338 -0.702 30 20 DBED CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@@]2(C1)NC(=O)NC2=O 279053181 KSKDXOVUUQVQGS-ABAIWWIYSA-N 321.381 -0.331 30 20 DBED C=C(C)CN1CCC(NC(=O)C(=O)N2CCNC(=O)[C@H]2C)CC1 286866408 ZYOXNEPNJAUFCD-GFCCVEGCSA-N 322.409 -0.510 30 20 DBED C=C[C@@H](CO)NC(=O)C1=NN(c2ccccc2)C(=O)[C@H](C)N1 292679212 MLBZHKPRGPQMAC-QWRGUYRKSA-N 302.334 -0.012 30 20 DBED N#Cc1ccc(S(=O)(=O)N2CCN(CCO)CC2)cc1F 293214407 ZXVGOHKCGXRMCF-UHFFFAOYSA-N 313.354 -0.004 30 20 DBED C/N=C(/NC)NCCC(=O)N1CCN(c2ccccn2)CC1 303268735 ZGUWMPZZKPARCE-UHFFFAOYSA-N 304.398 -0.085 30 20 DBED CN1CC[C@H](/N=C(/O)c2cnc3c(c2)c(O)nc(=O)n3C)C1=O 329658835 HJTHSHHEEMCQRE-VIFPVBQESA-N 317.305 -0.431 30 20 DBED C[C@H](C/N=C(/O)N1CCn2ncnc2C1)CN1CCOCC1 329943249 DKMNLDWTUPDFTH-GFCCVEGCSA-N 308.386 -0.024 30 20 DBED CCN(CCC/N=C(/O)N[C@@H]1CCCNC1=O)S(C)(=O)=O 330446028 UPWCZBWSYQBKDA-SNVBAGLBSA-N 320.415 -0.560 30 20 DBED N#CCN1CCN(C(=O)c2csc(S(N)(=O)=O)c2)CC1 330808251 IQRKVFJDIKFQPB-UHFFFAOYSA-N 314.392 -0.323 30 20 DBED N#CCCCCNC(=O)C(=O)N1CCN(c2ncccn2)CC1 343163476 RZERDVQFJOUILF-UHFFFAOYSA-N 316.365 -0.065 30 20 DBED N#Cc1ccc(F)c(CS(=O)(=O)NCCOCC(N)=O)c1 347193407 KRJSGYGQTTUVLD-UHFFFAOYSA-N 315.326 -0.381 30 20 DBED C=CCOC[C@H]1NC(=O)N(Cc2ccc(C(N)=O)nc2)C1=O 348622370 WLFHCMOJLRNGLL-LLVKDONJSA-N 304.306 -0.197 30 20 DBED C=C(C)CN(C)C(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1 351555907 XUFIFYZAKNETNE-UHFFFAOYSA-N 315.351 -0.309 30 20 DBED N#CCNC(=O)CNS(=O)(=O)Cc1cc(C#N)ccc1F 352509284 FTUHRFPPXOEPGM-UHFFFAOYSA-N 310.310 -0.243 30 20 DBED COCC[C@@H](NS(=O)(=O)N(C)C[C@H](C)C#N)C(=O)OC 352560519 PSXPRRZPEQRJKE-NXEZZACHSA-N 307.372 -0.510 30 20 DBED C[C@@H]1CN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C[C@H]1O 355529220 KJFPZZNHWOAJHO-ZWNOBZJWSA-N 323.374 -0.324 30 20 DBED COC(=O)[C@H](O)C1CCN(S(=O)(=O)CC2(C#N)CC2)CC1 361820827 IGGSTUUBDPYYOX-LLVKDONJSA-N 316.379 -0.134 30 20 DBED Cn1nnnc1N1CCC(NC(=O)c2cc(C#N)c[nH]2)CC1 370067189 MFOQMBBXBBMUAL-UHFFFAOYSA-N 300.326 -0.191 30 20 DBED CCNCCNC(=O)C(=O)NCCOc1ccc(C#N)cc1 419463914 MBDOZPWBMYFKAX-UHFFFAOYSA-N 304.350 -0.221 30 20 DBED N#Cc1ncn(CC(=O)NCc2ccccc2OCCO)n1 426896819 CPPUTILXKZUEEF-UHFFFAOYSA-N 301.306 -0.163 30 20 DBED COCC[C@@H](NS(=O)(=O)c1ccc(C#N)s1)C(N)=O 435427161 LQRNLTYOGIZWHG-MRVPVSSYSA-N 303.365 -0.212 30 20 DBED C#CCN(C)CCCNC(=O)CN(C)[C@H]1CCS(=O)(=O)C1 491514733 JSYYLTQAHSJVNU-ZDUSSCGKSA-N 315.439 -0.823 30 20 DBED C#C[C@@H](CCC)NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 491767579 JALIIRPJSPVEJI-JTQLQIEISA-N 317.349 -0.648 30 20 DBED C[C@H](C(=O)NC1(C#N)CCC1)N1CCN2C(=O)NC(=O)[C@H]2C1 527297730 HXCUMDFWSKRBGF-NXEZZACHSA-N 305.338 -0.827 30 20 DBED Cc1c(C(=O)NC[C@@H](C)C#N)cnc2c1c(=O)n(C)c(=O)n2C 533038180 UZIYSUXYFQZDQD-QMMMGPOBSA-N 315.333 -0.170 30 20 DBED N#C[C@]1(NC(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)CCOC1 560384353 GNCLTJNVBIJLEH-JRPNMDOOSA-N 303.318 -0.264 30 20 DBED CN(CCC#N)C[C@H](O)CNCCS(=O)(=O)NC(C)(C)C 577172460 VSJHWNCNVZRRPL-GFCCVEGCSA-N 320.459 -0.500 30 20 DBED O=C(CCN1CCN(c2ccccn2)CC1)NCC#CCO 580328540 XULXFPQQCOJMNN-UHFFFAOYSA-N 302.378 -0.294 30 20 DBED CCN(CC)S(=O)(=O)CC(=O)N1CC[C@@](O)(CC#N)C1 592843949 IDQMGZXHJZSIDF-LBPRGKRZSA-N 303.384 -0.465 30 20 DBED CN(C)CC[C@H](N)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 593900200 LPEUKVOMWPOGLN-AWEZNQCLSA-N 316.409 -0.119 30 20 DBED C=CCN1CC[C@H](N(C)[C@@H]2CCN(CCC(=O)OC)C2=O)C1=O 595472446 HCQAOLHOIGJGAT-QWHCGFSZSA-N 323.393 -0.131 30 20 DBED COC(=O)C[C@@H]1CN(C(=O)NC2CCN(CC#N)CC2)CCO1 610642093 STCBRJGUYOHTAC-CYBMUJFWSA-N 324.381 -0.052 30 20 DBED C=CCOC[C@H](NC(=O)CNC(=O)c1ccncc1)C(=O)OC 619511379 LLZWAGJSKOBVEU-LBPRGKRZSA-N 321.333 -0.328 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)NCC2(CO)CCCCC2)CCO1 619711699 WHTZHWUKLCZSOR-GFCCVEGCSA-N 317.411 -0.012 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](CO)CC2CC2)C1=O 678390619 RGUBDCCKSMYXEL-JTQLQIEISA-N 309.322 -0.760 30 20 DBED CS(=O)(=O)N1CCC[C@H](NC(=O)[C@@H](N)CCCC#N)C1 691561332 QQOAVVVOIYIUHX-QWRGUYRKSA-N 302.400 -0.452 30 20 DBED C#CCCCS(=O)(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)O 710384213 YDUUKDLHRDDOPS-JTQLQIEISA-N 323.392 -0.697 30 20 DBED C#CCCCS(=O)(=O)N1CCC[C@H](CNS(N)(=O)=O)C1 710862078 HYDONENJZFMFBU-LLVKDONJSA-N 323.440 -0.765 30 20 DBED N#CC1(COC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)CC1 775861811 VWPIVSLDYFQLAW-CNVPUSNMSA-N 304.302 -0.004 30 20 DBED N#Cc1ccc(CNC(=O)NCC(=O)N2CCOCC2)nc1 780592518 ZNTPMFQZZLNFGT-UHFFFAOYSA-N 303.322 -0.389 30 20 DBED C#CCOCCNC(=O)NC1CCN(S(=O)(=O)CC)CC1 784177501 NIOBUQBVEKSRMC-UHFFFAOYSA-N 317.411 -0.251 30 20 DBED CC(C)Oc1ccc(NC(=O)C(=O)NOCC(N)=O)cc1C#N 785388715 NWKZAYYSZWUIOL-UHFFFAOYSA-N 320.305 -0.183 30 20 DBED CC(C)(C)[S@](=O)CCNS(=O)(=O)N1CCO[C@H](C#N)C1 800055190 OGYCVSXELYZSJP-GIGQVBGESA-N 323.440 -0.408 30 20 DBED C#C[C@@H](NC(=O)C(=O)NCCCc1cnn(C)c1)[C@H]1CCCO1 804377295 YNGSHXSQKIRBQK-ZIAGYGMSSA-N 318.377 -0.234 30 20 DBED C#Cc1cncc(C(=O)NCCNS(=O)(=O)NC(C)C)c1 807410907 ZAFCHELNJVTGLS-UHFFFAOYSA-N 310.379 -0.375 30 20 DBED COC(=O)CC[C@@]1(C)NC(=O)N(CN2CCO[C@H](C#N)C2)C1=O 811742991 MCUDOZHCPFCXFS-QMTHXVAHSA-N 324.337 -0.568 30 20 DBED C#CC[C@H](CO)NC(=O)c1cc(S(=O)(=O)N(C)C)c(C)o1 820054619 QWRJMMMTNNWHBB-SNVBAGLBSA-N 314.363 -0.048 30 20 DBED CCS(=O)(=O)N1CCN(C(=O)[C@@](C)(C#N)CC(=O)O)CC1 820398296 NTTGLMWAXQILML-GFCCVEGCSA-N 317.367 -0.515 30 20 DBED N#C[C@@H]1COCCN1C(=O)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 826380616 HUTWLPVFARJXAQ-NEPJUHHUSA-N 314.305 -0.349 30 20 DBED C#C[C@H](NC(=O)C(=O)N(C)C[C@H]1COCCO1)[C@H]1CCCO1 829213767 BWAYTIXXNRUAFU-RWMBFGLXSA-N 310.350 -0.843 30 20 DBED C#CC[C@@H](NC(=O)CN1C(=O)NC(CC)(CC)C1=O)C(=O)OC 837930109 QABWLPBSJYRXGN-SNVBAGLBSA-N 323.349 -0.222 30 20 DBED N#CC[C@]1(O)CCN(C(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 844016078 RQUQHQWPTAXIJQ-HZMBPMFUSA-N 303.322 -0.360 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N1CC[C@H](N2CCOC2=O)C1 849438978 YKUQFPJUMMNHBA-QWRGUYRKSA-N 316.383 -0.151 30 20 DBED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCCCO 914534544 VDRHHYDXQZVVNX-UHFFFAOYSA-N 311.363 -0.386 30 20 DBED Cc1c(C(=O)N[C@H]2CCN(C(=O)C#CC3CC3)C2)nnn1C 937776397 QKDMCTGBPRSDLN-LBPRGKRZSA-N 301.350 -0.132 30 20 DBED O=C(N[C@H]1CCN(C(=O)C#CC2CC2)C1)[C@@H]1CCCS1(=O)=O 938047920 MHNAELNHIIANCT-STQMWFEESA-N 324.402 -0.306 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](NC(=O)c2ccnc3[nH]nnc23)C1 941818019 HECXUSVNTCLBOG-RKDXNWHRSA-N 313.321 -0.157 30 20 DBED COc1nn(C)cc1C(=O)N[C@@H]1CCN(C(=O)[C@@H](C)C#N)C1 941986387 NAHGUVTXGNPDDJ-VHSXEESVSA-N 305.338 -0.081 30 20 DBED CN1C[C@H](C(=O)NC[C@H]2CCCN2C(=O)C#CC2CC2)CC1=O 944009169 YBFDZKBHRRKIBG-ZIAGYGMSSA-N 317.389 -0.015 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)c2cc[n+]([O-])cc2)C1 944465290 IUXUGCHDNSIIPH-YPMHNXCESA-N 318.333 -0.563 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)CC[C@H]1NC(=O)Cn1ncnn1 945319516 VBYCEAFITQQOIH-DGCLKSJQSA-N 316.365 -0.560 30 20 DBED C[C@@H](C#N)C(=O)N1CC(N(C)C(=O)C[C@H]2CCC(=O)NC2)C1 954452808 ICTDPHBIFFPQHM-WDEREUQCSA-N 306.366 -0.268 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCCN1C(=O)CC(N)=O 955935109 RRXUHJUUXIGEHD-HUBLWGQQSA-N 323.393 -0.050 30 20 DBED CS(=O)(=O)CCN1C[C@H]2[C@H](NC(=O)c3c[nH]c(C#N)c3)[C@H]2C1 958617283 DXYMAUVOKVSGAO-ITGUQSILSA-N 322.390 -0.409 30 20 DBED Cc1ccn(CC(=O)N(C)[C@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)n1 958966673 VSHMKYFXVZHKAS-WXHSDQCUSA-N 319.365 -0.619 30 20 DBED C=C(C)CCN1C[C@H]2[C@H](NC(=O)Cn3ncn(C)c3=O)[C@H]2C1 960650278 SHYYZXZLLUZKIQ-IMRBUKKESA-N 305.382 -0.406 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2CN(C(=O)c3ccon3)C[C@@H]2O)c[nH]1 962388512 XMMQNJMKYFOEHL-NEPJUHHUSA-N 315.289 -0.510 30 20 DBED CC#CCN1C[C@H]2C(NC(=O)C3CCN(C(N)=O)CC3)[C@@H]2C1 962501986 FCHSRQLZMIETRA-CHWSQXEVSA-N 304.394 -0.153 30 20 DBED C=CCCn1cc(C(=O)N2CC3(C[C@@H](NC(C)=O)CO3)C2)nn1 965578234 BTKPOEXHACJMOQ-GFCCVEGCSA-N 319.365 -0.026 30 20 DBED CC#CCN1CC([C@H](C)NC(=O)c2cc(=O)n3[nH]cnc3n2)C1 970738257 UDCVTXRTPSEOQI-JTQLQIEISA-N 314.349 -0.509 30 20 DBED CN(Cc1nnn(C)n1)[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 971372186 WHBYMQROIDQKID-GFCCVEGCSA-N 314.353 -0.244 30 20 DBED C#CCCN1C[C@H]2CC[C@H]1CN2C(=O)C[C@@H]1NC(=O)NC1=O 971474516 AAADUMYSIGIAME-TUAOUCFPSA-N 304.350 -0.717 30 20 DBED C=CCN(C)[C@H]1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)C1 972470925 BNEZAXSYVWBZSX-NSHDSACASA-N 306.366 -0.584 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)Cn2ncnn2)C1 974161545 AEHMWJXSFWRPMJ-KXNHARMFSA-N 320.353 -0.972 30 20 DBED O=C1CC[C@H](C(=O)N[C@H]2[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]32)CN1 976795856 BUQYQZUTVAOYHG-BCUIYNNISA-N 315.373 -0.501 30 20 DBED C[C@@H](NCc1nnn(C)n1)[C@@H]1CN(C(=O)C#CC2CC2)CCO1 979332147 KZAXTEBWBHBSDU-YPMHNXCESA-N 318.381 -0.671 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](NC(=O)c2cn(C)c(=O)n2C)[C@H]1C 988663997 LBLHHUCYTGLKLV-MXWKQRLJSA-N 319.365 -0.397 30 20 DBED C#Cc1cncc(C(=O)N2CC(NC(=O)Cc3cnn(C)c3)C2)c1 990447454 WHBRZVUGMIUZBA-UHFFFAOYSA-N 323.356 -0.020 30 20 DBED C[C@]12CN(C(=O)C(N)=O)C[C@H]1CN(C(=O)c1c[nH]c(C#N)c1)C2 993330033 CYVDFKMWDLXPDP-BMIGLBTASA-N 315.333 -0.708 30 20 DBED C=CCn1cccc1C(=O)NC1CN(C(=O)[C@H]2CNC(=O)N2)C1 994197626 JFQNBSGWIBCJIP-LLVKDONJSA-N 317.349 -0.704 30 20 DBED C=CCn1cc(C(=O)N2CC(NC(=O)[C@@H]3CO[C@H](C)C3)C2)nn1 994641578 MULLPNWZERKAQC-MNOVXSKESA-N 319.365 -0.170 30 20 DBED C[C@H](NC(=O)c1nccnc1C(N)=O)C1CCN(CC#N)CC1 997854064 JUMIYANOPCGUAP-JTQLQIEISA-N 316.365 -0.071 30 20 DBED N#CCN1CC[C@@H](n2cc(CNC(=O)c3cnco3)nn2)C1 1000019763 WZJMYAOYUGFRMT-LLVKDONJSA-N 301.310 -0.034 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CCCC(=O)N2)C1 1000021645 FUSLRNASSYEFLD-UPJWGTAASA-N 321.377 -0.427 30 20 DBED N#Cc1ccc(C(=O)NCC2CN(C(=O)[C@H]3COC(=O)N3)C2)[nH]1 1001476946 CVXXSRGPGFSOSN-LLVKDONJSA-N 317.305 -0.817 30 20 DBED C[C@@H](C#N)C(=O)N1CC(CNC(=O)c2ccn3nnnc3c2)C1 1003547868 BTPJWAZNBYJYON-VIFPVBQESA-N 313.321 -0.528 30 20 DBED C=CCCN1CCC(N(C)C(=O)c2cn(CC(N)=O)nn2)CC1 1006447109 JBJQWFCQGGLDNB-UHFFFAOYSA-N 320.397 -0.124 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](NC(=O)Cc2nc[nH]n2)C(C)(C)C1 1008622063 DAWHKTKXVSPBGR-ZJUUUORDSA-N 304.354 -0.140 30 20 DBED C#Cc1ccc(C(=O)N2CCN(C(=O)Cn3cncn3)CC2)nc1 1011804738 PVCKCIUXGLRXEO-UHFFFAOYSA-N 324.344 -0.361 30 20 DBED C[C@@H]1[C@@H](NC(=O)Cn2cnnn2)CCCN1C(=O)C#CC1CC1 1014748052 YDTSBWLMTWUDST-YPMHNXCESA-N 316.365 -0.418 30 20 DBED C=CCCN1CC[C@@H](CNC(=O)[C@H]2CCS(=O)(=O)N2)C1 1028992243 FAMKBJSCWYZYFX-NWDGAFQWSA-N 301.412 -0.308 30 20 DBED CN(C(=O)CN1CC(NC(=O)c2cc(C#N)c[nH]2)C1)C1CC1 1030192561 OTXFIISZJYELCK-UHFFFAOYSA-N 301.350 -0.079 30 20 DBED C#Cc1ccc(C(=O)NC2CN([C@H](C)C(=O)N(C)C)C2)nc1 1031279185 QSYPGXYGQHYBCY-LLVKDONJSA-N 300.362 -0.046 30 20 DBED Cc1cn2nc(C(=O)NCC3CN(CC#N)C3)cc2c(=O)[nH]1 1031876863 FTEABNBDUKSRRT-UHFFFAOYSA-N 300.322 -0.484 30 20 DBED C=CCn1cc(C(=O)NCC2CN([C@@H]3CCCNC3=O)C2)nn1 1032035631 ICDFLZLJDAHQQV-CYBMUJFWSA-N 318.381 -0.596 30 20 DBED C#CCCN1CC[C@H](N(C)C(=O)[C@@H]2CCN(C)S2(=O)=O)C1 1033501203 HZUHFQTYWAWACF-STQMWFEESA-N 313.423 -0.424 30 20 DBED C#CCN[C@H]1CC[C@H](NC(=O)[C@@H]2CCN(C)S2(=O)=O)CC1 1034753258 CWVSNUHXRJWMHW-AVGNSLFASA-N 313.423 -0.330 30 20 DBED C=CCN1CC[C@@H](NC[C@H]2CCCN2C(=O)c2nc[nH]n2)C1=O 1035081502 RABQYNABXUNYJQ-VXGBXAGGSA-N 318.381 -0.214 30 20 DBED C=CCN1CCO[C@H](CNC(=O)c2ccc3nnnn3c2)C1 1035444206 MZRRXNAIACVFPB-GFCCVEGCSA-N 302.338 -0.259 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)c2ccnc3c2nnn3C)C1 1035486639 DSIHZJVBZIVNDB-NSHDSACASA-N 314.349 -0.573 30 20 DBED C#CCCN1CCO[C@H](CNC(=O)c2cnn(CCOC)c2)C1 1035597220 WBPNJZSRPHOQDM-OAHLLOKOSA-N 320.393 -0.017 30 20 DBED C#CCN[C@H]1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)C[C@@H]1C 1036057578 NBLPJTQWTUPASX-STQMWFEESA-N 318.377 -0.993 30 20 DBED C#CCN[C@H]1CCN(C(=O)c2nccnc2C(N)=O)C[C@@H]1C 1036286943 TUQYENIXFIRTDF-QWRGUYRKSA-N 301.350 -0.351 30 20 DBED CC(C)C#CC(=O)NC[C@]1(O)CCN(C(=O)Cc2cnc[nH]2)C1 1039667840 IXZNPTOTLJFZJY-MRXNPFEDSA-N 318.377 -0.309 30 20 DBED C[C@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)c2ncccc2O)C1 1040759639 CCZQFBBGGZIQRM-BMIGLBTASA-N 318.333 -0.360 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)CN3CCCC3)C2)nc1 1041052789 DRFHYPQRQINKJK-ZIAGYGMSSA-N 315.377 -0.285 30 20 DBED Cc1conc1C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1O 1041158337 KOASMFDLPLSXGG-GHMZBOCLSA-N 314.305 -0.376 30 20 DBED C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)c2ccco2)C1 1041209812 RFZNQGVHINQTKK-LLVKDONJSA-N 306.318 -0.379 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)C2=CCCC2)C1 1042531241 BUWUMAAMPHMJMQ-UHFFFAOYSA-N 306.362 -0.174 30 20 DBED CC1(C(=O)N2CC(O)(CNC(=O)c3c[nH]c(C#N)c3)C2)CC1 1042672470 RBDSUEACWRWYII-UHFFFAOYSA-N 302.334 -0.010 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)c2nccn2CC)C1 1042820679 MXCGGHCVYPTUFT-UHFFFAOYSA-N 322.365 -0.591 30 20 DBED CCn1cnc(C(=O)N2CC(O)(CNC(=O)C#CC(C)C)C2)c1 1042937895 NBZJKPNHVFJZOU-UHFFFAOYSA-N 318.377 -0.135 30 20 DBED Cc1c[nH]nc1C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1043929494 SZYGKWBJIPAADN-MNOVXSKESA-N 313.321 -0.641 30 20 DBED CC(C)c1n[nH]cc1C(=O)N1CC(O)(CNC(=O)[C@@H](C)C#N)C1 1045564771 NBTGUFNGXIKMDV-JTQLQIEISA-N 319.365 -0.004 30 20 DBED Cc1c(C(=O)NCC2(O)CN(C(=O)[C@@H](C)C#N)C2)ccn1C 1046224985 PCCCXHMLJWRZLU-JTQLQIEISA-N 304.350 -0.204 30 20 DBED Cn1cc(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)N(CC#N)C3)ncc1=O 1047113176 AHLCZBVNCRACMC-SRVKXCTJSA-N 301.350 -0.113 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3nnnn3c2)C1 1047457732 LARWFVCYUVQDCZ-STQMWFEESA-N 314.349 -0.735 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cccn2C)C1 1048238353 HKOZHNFVHNKMLD-KBPBESRZSA-N 321.377 -0.129 30 20 DBED C=CCN1CCC2(CC1)CN(C(=O)[C@H]1CCS(=O)(=O)N1)C2 1050758601 JQWDKDIVIQINOQ-GFCCVEGCSA-N 313.423 -0.212 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)[C@@H]1CCc2nn[nH]c2C1 1051209789 NJKWPKHQOYFYRT-NEPJUHHUSA-N 303.366 -0.640 30 20 DBED C#CCN1CCN([C@@H]2CCN(C(=O)[C@H]3COCCN3C)C2)CC1 1052017350 GYMKTBHCNFGYGW-HZPDHXFCSA-N 320.437 -0.831 30 20 DBED C#CCN1CCC[C@H](NC(=O)Cn2ccc(O)nc2=O)CC1 1052535735 WNAHSKDJQOOLID-LBPRGKRZSA-N 304.350 -0.447 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)[C@@H]1CC(=O)N[C@@H](C)C1)CCO2 1053321702 OLNNFIIOLTXXFB-KBPBESRZSA-N 319.405 -0.162 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@](CO)(NC(=O)c2cnn(C)c2)C1 1055753866 BOULSQLUKSSQFU-XHDPSFHLSA-N 319.365 -0.337 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@](CO)(NC(=O)c2cncn2C)C1 1056001029 WVABHTCCVKYWDL-ABAIWWIYSA-N 319.365 -0.337 30 20 DBED Cn1cncc1C(=O)NC1[C@H]2CN(c3cncc(C#N)n3)C[C@H]12 1056335417 IIZUTAKKFAPGHO-QWRGUYRKSA-N 309.333 -0.054 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCN(CCO)C(=O)[C@@H](C)OC 1057112388 JYOVGQODBVESFW-BXUZGUMPSA-N 302.371 -0.715 30 20 DBED CO[C@H](C)C(=O)N(CCO)CCNC(=O)c1ccc(C#N)[nH]1 1057113306 ZABUJACYBMEKNB-SNVBAGLBSA-N 308.338 -0.528 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)Cn1nccc1C 1057613174 FHHFPNCPNRWNCG-UHFFFAOYSA-N 320.393 -0.068 30 20 DBED Cc1ncc(C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N)c(C)n1 1058371157 KMMAQKJZIBLWRO-JTQLQIEISA-N 319.365 -0.196 30 20 DBED C=C[C@H](C)[C@H](C)C(=O)N(CCO)CCNC(=O)Cc1nc[nH]n1 1058438298 UAJKHAXFRQIABT-RYUDHWBXSA-N 323.397 -0.258 30 20 DBED C[C@@H]1OCCO[C@@H]1C(=O)N[C@@H]1CCN(c2ccc(C#N)nn2)C1 1058590568 HSGBZUWTOFFVGC-SUHUHFCYSA-N 317.349 -0.153 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)[C@]1(C)CCNC1=O 1058839303 XHCUANOIOLQLLP-OAHLLOKOSA-N 311.382 -0.584 30 20 DBED N#Cc1ccc(N[C@H]2C[C@H](NC(=O)[C@H]3CNC(=O)N3)C2)cn1 1059391594 FLHPCOOXGYTLMY-IJLUTSLNSA-N 300.322 -0.306 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1C[C@H](NC(=O)[C@@H]2CCC(=O)NC2)C1 1059457738 PIRIVJNMBLORCX-RAIGVLPGSA-N 313.361 -0.040 30 20 DBED Cc1cc(=NC[C@H]2CCCN(C(=O)C(N)=O)C2)c(C#N)c[nH]1 1060079860 FWEXXEWHPJWNBZ-LLVKDONJSA-N 301.350 -0.181 30 20 DBED Cc1cc(=N[C@@H]2CC[C@H]3CN(C(=O)C(N)=O)C[C@H]32)c(C#N)c[nH]1 1060553436 PWVPAFVJDJWYOO-CYZMBNFOSA-N 313.361 -0.182 30 20 DBED N#Cc1nc(=NC[C@@H]2CCN(C(=O)Cc3ncc[nH]3)C2)cc[nH]1 1060914556 WNDGMSXARXQBMO-NSHDSACASA-N 311.349 -0.004 30 20 DBED N#Cc1cnc(N2CCC[C@@H]2CNC(=O)[C@H]2CNC(=O)N2)cn1 1061440465 FGVZBAYUFOVECX-GHMZBOCLSA-N 315.337 -0.885 30 20 DBED C=CCO[C@H](C)C(=O)NC[C@H]1COCCN1C(=O)c1nc[nH]n1 1061668554 RYHFXBQGNPJQPX-MNOVXSKESA-N 323.353 -0.647 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)c1ccnc(O)c1 1061847510 LOIUYMYCDDPKEI-ZYHUDNBSSA-N 318.333 -0.096 30 20 DBED C=C[C@](C)(CC)C(=O)NC[C@H]1COCCN1C(=O)CC(N)=O 1061866860 AYKLYZBCABJZAY-XHDPSFHLSA-N 311.382 -0.192 30 20 DBED CN(C(=O)Cn1nccn1)[C@@H]1CCN(c2cnc(C#N)cn2)C1 1062984128 QFERFKMLMDYSHD-GFCCVEGCSA-N 312.337 -0.323 30 20 DBED C#CCO[C@H](C)C(=O)N1CCO[C@@H](CNC(=O)C#CC2CC2)C1 1065153862 DMDFVXGYOGURCU-HIFRSBDPSA-N 318.373 -0.218 30 20 DBED C=CCCCC(=O)NC[C@@H]1CN(C(=O)Cn2nccn2)CCO1 1065195513 PHWORVFNXSRSLW-CYBMUJFWSA-N 321.381 -0.022 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CCCN(C(=O)c2nnn(C)n2)CC1 1066480638 GJTYYJRMGNISHF-ZJUUUORDSA-N 305.342 -0.519 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](CNC(=O)c3cnccn3)C2)cn1 1067646334 ZMXACDMMYLGGNB-ABAIWWIYSA-N 324.344 -0.030 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C[C@H](NC(=O)COC)CO2)C1 1068656706 UTHHVXZCEVLZFR-XQQFMLRXSA-N 324.377 -0.290 30 20 DBED N#Cc1cncc(N[C@@H]2CCC[C@H]3CN(C(=O)C(N)=O)C[C@@H]32)n1 1069318784 KUESUYUKDTWTEF-ZMLRMANQSA-N 314.349 -0.127 30 20 DBED N#CCN1CCn2ncc(CNC(=O)[C@@H]3CCC(=O)N3)c2C1 1069881402 CEXWWMFZHDDIOP-NSHDSACASA-N 302.338 -0.883 30 20 DBED CC(=O)NCC(=O)NCC1(NC(=O)[C@@H](C)C#N)CCOCC1 1070231132 NMFMFCLUHYICJQ-JTQLQIEISA-N 310.354 -0.936 30 20 DBED C=CC(C)(C)C(=O)N[C@H]1CN(C(=O)Cn2cnnn2)C[C@H]1C 1071556577 KJJCZEDLRDTQES-MNOVXSKESA-N 306.370 -0.152 30 20 DBED C=CCCC(=O)N[C@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1C 1071742704 VHJCMVSLPXXFEH-MNOVXSKESA-N 302.396 -0.040 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC2(CCN(CC(N)=O)C2)C1 1072822413 FZABVBYAJNNTFD-ZDUSSCGKSA-N 304.394 -0.896 30 20 DBED Cn1cc(CCC(=O)N2CC[C@@H]3OCCN(CC#N)[C@H]3C2)nn1 1074418981 CUTDLPIPXXVVEH-KBPBESRZSA-N 318.381 -0.427 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)c2ccn(CCN(C)C)n2)C1 1077014222 JWZZAKWUHJRMJU-HUUCEWRRSA-N 321.425 -0.204 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2COCCN2CCCC)C1 1077447858 QAUSHVCKBIHQPU-BZUAXINKSA-N 323.437 -0.328 30 20 DBED N#Cc1ccccc1CNC[C@@H]1CN(C(=O)C(N)=O)CCCO1 1078457421 WNBCWSRFACPPOD-CQSZACIVSA-N 316.361 -0.249 30 20 DBED C#CCN[C@@H]1C[C@H](NC(=O)c2nnc(O)nc2O)C12CCC2 1078671217 SFKPFYZHCDKXQU-BDAKNGLRSA-N 303.322 -0.453 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)[C@@H]2CCC(=O)N2)C1 1080179371 IYEVTMOKJLFRLE-AAEUAGOBSA-N 321.377 -0.637 30 20 DBED C#CCCN1C[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)[C@H](C)C1 1080908015 QSHVQHONBDQXMH-VXGBXAGGSA-N 306.366 -0.660 30 20 DBED C#CCOCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2ccc[nH]2)C1 1081252130 XIFNQEBBZVYKQQ-TZMCWYRMSA-N 319.361 -0.396 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)Cc2ncc[nH]2)C[C@@H]1O 1081439337 OPBVLHPJDZHVCP-OLZOCXBDSA-N 318.377 -0.309 30 20 DBED C#CCOCCC(=O)N1C[C@H](CNC(=O)C#CC(C)C)[C@@H](O)C1 1081465404 GWBBGNIUBAAXCZ-GJZGRUSLSA-N 320.389 -0.379 30 20 DBED C#CCOCCC(=O)N1C[C@H](O)[C@H](CNC(=O)C#CC2CC2)C1 1081470475 AWWPBDADYJHSIM-CABCVRRESA-N 318.373 -0.625 30 20 DBED C=CCN1C[C@@H](NC(=O)Cc2ccc(C(N)=O)nc2)[C@H](OC)C1 1081851432 UDVFLNREVKKEIU-ZIAGYGMSSA-N 318.377 -0.276 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1cc2n(n1)CCCO2 1081931698 VVONYUIERVTNEE-VXGBXAGGSA-N 305.338 -0.382 30 20 DBED CC#CCN1C[C@@H](NC(=O)[C@H]2CN(C(C)C)CCO2)[C@H](OC)C1 1082058327 WRODMQBPEUNZBR-BZUAXINKSA-N 323.437 -0.066 30 20 DBED C#CCN1C[C@@H](NC(=O)Cn2nnnc2C(C)C)[C@H](OC)C1 1082215162 NPTKNSLLIROMJP-VXGBXAGGSA-N 306.370 -0.755 30 20 DBED C[C@@H](C#N)C(=O)N1CCCC[C@H]1CNC(=O)Cn1ncnn1 1082267533 SDAUXPLQLFEVAI-QWRGUYRKSA-N 305.342 -0.670 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)COc1cc(C)on1 1083111218 UOSLBFRRWOAMHJ-QWHCGFSZSA-N 305.334 -0.093 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CCc2n[nH]cc2C1 1083246791 KEVGZXUSPUBXQA-TUKIKUTGSA-N 315.377 -0.050 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2ccc(CNC(C)=O)cc2)C1 1083612892 QYIXIQLMMGBUIY-CVEARBPZSA-N 315.373 -0.269 30 20 DBED C=C(C)CCN1C[C@H](O)[C@H](NC(=O)c2cn(C)c(=O)cn2)C1 1083654025 RDDRIMCSLIEXIX-YPMHNXCESA-N 306.366 -0.479 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CN(CC(=O)N(C)C)C[C@@H]2O)cc1 1083691018 VBGOEFLZRNZOTA-CABCVRRESA-N 315.373 -0.469 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)Cn2nnnc2C(C)C)C1 1083845227 PQFKGNPFBKISLB-NEPJUHHUSA-N 308.386 -0.466 30 20 DBED C=CCN1CC[C@@H](N[C@H]2C[C@H](CNC(=O)c3cnon3)C2)C1=O 1086508632 CHKHYIKGUCTRJE-IJLUTSLNSA-N 319.365 -0.046 30 20 DBED N#CCN[C@@H]1CCCCCN(C(=O)Cn2cnc(C(N)=O)n2)C1 1088316007 NZZLPPRRRHNAHA-LLVKDONJSA-N 319.369 -0.739 30 20 DBED C[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCN1Cc1nnnn1C 1088529583 DJFULVFXYJDYFL-SKDRFNHKSA-N 314.353 -0.197 30 20 DBED CNC(=O)CC(=O)N[C@H](C)C[C@H](C)N=c1cc[nH]c(C#N)n1 1089282684 HCZXGZJYNYLHOY-VHSXEESVSA-N 304.354 -0.399 30 20 DBED N#CCN1C[C@H]2[C@H]3CC[C@@H]([C@H]2C1)N(C(=O)Cn1cnnn1)C3 1089771390 ZFSWKJFRVYQFGE-CYDGBPFRSA-N 301.354 -0.635 30 20 DBED CC(=O)Nc1cccnc1C(=O)N[C@@H]1CCN(CC#N)C[C@@H]1O 1090315629 KLKHOUZLQVWKMC-YPMHNXCESA-N 317.349 -0.271 30 20 DBED C=CCCN1CC[C@@H](NC(=O)CC2CS(=O)(=O)C2)[C@@H](O)C1 1090372061 PJDMZMQYNLBIPK-OLZOCXBDSA-N 316.423 -0.451 30 20 DBED CN(C)C(=O)CC(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1O 1090546042 NOTMOXJTILQRQO-VXGBXAGGSA-N 317.349 -0.903 30 20 DBED CC[C@@H]1[C@@H](NC(=O)CC(N)=O)CCN1c1cncc(C#N)n1 1091763739 IZMSKERCTFKRCP-WDEREUQCSA-N 302.338 -0.303 30 20 DBED C[C@H](NC(N)=O)C(=O)NCC1CC(N=c2cc[nH]cc2C#N)C1 1092209434 DLICRNUHNRKUTM-BMQDGWLCSA-N 316.365 -0.261 30 20 DBED C=CCN1CC2(C[C@@H](NC(=O)Cn3ncnn3)c3nccn32)C1 1092367895 DEMSAKIIFRHCGD-LLVKDONJSA-N 314.353 -0.672 30 20 DBED N#Cc1nc(=NCCNC(=O)c2cc(C(N)=O)co2)cc[nH]1 1094136358 HGHQQMHUJSUSEN-UHFFFAOYSA-N 300.278 -0.696 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)C3=COCCO3)CC2=O)C1 1094694077 XDUHUMAAEPGHPJ-NSHDSACASA-N 307.350 -0.538 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)c3cc[n+]([O-])cc3)CC2=O)C1 1094698303 ALIFABVYOVSNFD-ZDUSSCGKSA-N 316.361 -0.479 30 20 DBED N#Cc1nc(=NCCCNC(=O)C[C@H]2CCCC(=O)N2)cc[nH]1 1094898720 IIARRSOMXHDBQE-LLVKDONJSA-N 316.365 -0.253 30 20 DBED CN1CC[C@@H](C(=O)NCCCN(C)c2cnc(C#N)cn2)C1=O 1095701861 ZQLWAYUDNSWAHQ-LBPRGKRZSA-N 316.365 -0.231 30 20 DBED CCCC(=O)NCC(=O)N[C@H]1CCN(c2ccnc(C#N)n2)C1 1096326927 GAKBKTRCTPMQEO-NSHDSACASA-N 316.365 -0.041 30 20 DBED CNS(=O)(=O)CC(=O)N[C@@H]1CCN(c2ccc(C#N)nc2)C1 1096381451 FGKUUCLAPNOOFZ-LLVKDONJSA-N 323.378 -0.803 30 20 DBED N#Cc1cncc(N[C@H]2C[C@H](NC(=O)CCNC(N)=O)C2)n1 1097029502 CDABJQXYLCVDEV-KYZUINATSA-N 303.326 -0.534 30 20 DBED N#Cc1nccc(N2CCC[C@H](CNC(=O)CNC(N)=O)C2)n1 1097286816 SBYNIBKQFFAUOW-SNVBAGLBSA-N 317.353 -0.651 30 20 DBED C[C@H](CNC(=O)C[C@H]1CCNC1=O)Nc1cnc(C#N)cn1 1098098238 WMNGTPITQCZTCE-NXEZZACHSA-N 302.338 -0.209 30 20 DBED C[C@H](CNC(=O)[C@H]1CC(=O)N(C)C1)Nc1cncc(C#N)n1 1098345670 DKQQTIJPNMUBNG-ZJUUUORDSA-N 302.338 -0.257 30 20 DBED C[C@@H](CCNC(=O)[C@@H]1CCNC1=O)Nc1ccc(C#N)nn1 1099617142 QUKSPNKUXOGGBT-ONGXEEELSA-N 302.338 -0.209 30 20 DBED CC(C)C#CC(=O)N[C@H]1CCN(CCN2CCCC2=O)C[C@H]1O 1099820929 MZVUPDNZPNJCFA-LSDHHAIUSA-N 321.421 -0.180 30 20 DBED C=CCCN1CC[C@@H](NC(=O)CCS(C)(=O)=O)[C@@H](O)C1 1099894536 LWFXVBOHIZOLPA-NEPJUHHUSA-N 304.412 -0.451 30 20 DBED CCOCCOCCCC(=O)N[C@H]1CCN(CC#N)C[C@@H]1O 1100076161 HKJQPJULQYOSPO-KBPBESRZSA-N 313.398 -0.105 30 20 DBED COCC1(C(=O)NCC2CC(NCC(=O)NCC#N)C2)CCC1 1100513730 JIWNZPAOTVEDSW-UHFFFAOYSA-N 322.409 -0.073 30 20 DBED N#Cc1cccnc1N1C[C@@H]2C[C@H]1CN2C(=O)CNC(N)=O 1102536374 XZFQIKQXBBOROL-QWRGUYRKSA-N 300.322 -0.589 30 20 DBED CC(=O)NCC(=O)N1CCC[C@@H]1CN=c1cc[nH]cc1C#N 1103787457 BKZPZCAKSZROKU-CYBMUJFWSA-N 301.350 -0.086 30 20 DBED C[C@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)CCn1cncn1 1103887396 WRJRTHYCXFAERM-LLVKDONJSA-N 314.353 -0.384 30 20 DBED C#CCNC(=O)CNCC[C@@H]1CN(C(=O)c2cn[nH]c2)C[C@H]1C 1103925399 VPVDUJYLDBBTHH-CHWSQXEVSA-N 317.393 -0.153 30 20 DBED Cc1cc(N2CCO[C@@H](CNC(=O)[C@H](C)C#N)C2)nc(CO)n1 1104301199 BANHPDCVTNTDCN-PWSUYJOCSA-N 319.365 -0.242 30 20 DBED C=CCNCC[C@@H]1CN(C(=O)C[C@@H]2NC(=O)NC2=O)C[C@H]1C 1104304416 IAVWAKKPLWLFMU-UTUOFQBUSA-N 308.382 -0.155 30 20 DBED CC(C)[C@H](CNC(=O)CCNC(N)=O)Nc1ccc(C#N)nn1 1105182227 BYYHXMIHUNNMCD-NSHDSACASA-N 319.369 -0.041 30 20 DBED Cc1nn[nH]c1C(=O)N(C)CCN(C)c1cncc(C#N)n1 1105515146 WTBCTOQLESWVOH-UHFFFAOYSA-N 300.326 -0.017 30 20 DBED C=CCOCC(=O)NC[C@@H](O)CNc1ncc(C(=O)OC)cn1 1105748591 WVRVFSFNJQPVFL-LLVKDONJSA-N 324.337 -0.645 30 20 DBED CN1CCC[C@H]1C(=O)NC[C@@H](O)CN=c1cc[nH]cc1C#N 1105756115 PHUPCMVTUHFLLH-JSGCOSHPSA-N 303.366 -0.642 30 20 DBED Cn1ncc(C(=O)NC[C@@H](O)CNc2ncc(C#N)cc2F)n1 1105898855 TZFUEACZQGHIPJ-VIFPVBQESA-N 319.300 -0.576 30 20 DBED CN(C)C1(C(=O)NC[C@H](O)CN=c2cc[nH]c(C#N)n2)CCC1 1106004016 KJGFJMNMGHFJID-LLVKDONJSA-N 318.381 -0.857 30 20 DBED CN1CC[C@H](C(=O)NC[C@@H](O)CNc2ncccc2C#N)C1=O 1106064674 WKLCLNKXAXHHHJ-NWDGAFQWSA-N 317.349 -0.679 30 20 DBED N#Cc1nccnc1NC[C@H](O)CNC(=O)[C@@]1(F)CCOC1 1106073813 YTDVFRCMNNGWBM-TVQRCGJNSA-N 309.301 -0.634 30 20 DBED C#CCCN1CC(n2cc(CNC(=O)[C@H](C)CC(N)=O)nn2)C1 1107190880 GGNUJWLRUKOZFI-LLVKDONJSA-N 318.381 -0.714 30 20 DBED C[C@]1(C(=O)NC/C=C/CN=c2cc[nH]cc2C#N)CNC(=O)C1 1107421862 LPEAWACPLYPCLS-WOMSROEHSA-N 313.361 -0.014 30 20 DBED C=CCNC(=O)CN1CCO[C@](C)(CNC(=O)[C@@H](C)C#N)C1 1107819427 PBLVYYCZAQSXED-SWLSCSKDSA-N 308.382 -0.345 30 20 DBED C[C@@H](C(N)=O)N1CCO[C@](C)(CNC(=O)c2c[nH]c(C#N)c2)C1 1107883302 QEEQXHFNOOQZSO-ZUZCIYMTSA-N 319.365 -0.419 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)c2cc(C(N)=O)cn2C)C1 1108055470 OEJWCEYMOGMOIT-INIZCTEOSA-N 318.377 -0.422 30 20 DBED CC[C@H](NC(C)=O)C(=O)N[C@H](C)CN=c1cc[nH]c(C#N)n1 1108123188 QXBIKZIVXGRPGO-KOLCDFICSA-N 304.354 -0.399 30 20 DBED C[C@H](CN(C)c1nccnc1C#N)NC(=O)[C@@H]1CCNC(=O)C1 1108895166 QRAXVIKTUXVRIV-GHMZBOCLSA-N 316.365 -0.185 30 20 DBED CN(CCCNc1ccc(C#N)nn1)C(=O)CS(C)(=O)=O 1109381053 CXGUGYPOWYRAOE-UHFFFAOYSA-N 311.367 -0.347 30 20 DBED CN1CCO[C@H](C(=O)N(C)CCCNc2nccnc2C#N)C1 1109419230 TXRGAGPHLYVQIM-ZDUSSCGKSA-N 318.381 -0.061 30 20 DBED COCC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H]1CCC(=O)N1 1110381498 KASVMVAYPLRKHN-SYQHCUMBSA-N 305.378 -0.364 30 20 DBED CC(=O)NCC(=O)N1CC[C@H](N=c2cc[nH]c(C#N)n2)C[C@H]1C 1110499076 GIOMRNTZAIBXNC-PWSUYJOCSA-N 316.365 -0.302 30 20 DBED C=CCOCCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H]1CN(C)C(=O)N1 1110891081 RIUFFICWVMZPDI-SYQHCUMBSA-N 322.409 -0.066 30 20 DBED CC(C)OCC(=O)NC[C@]1(O)CCN(c2ccc(C#N)nn2)C1 1111038142 UEJPOOGEQRYLGF-OAHLLOKOSA-N 319.365 -0.169 30 20 DBED CO[C@H](C)CC(=O)NC[C@]1(O)CCN(c2cncc(C#N)n2)C1 1111045306 HXAFZTMMXYFHGP-IAQYHMDHSA-N 319.365 -0.169 30 20 DBED CC(C)(O)CC(=O)NC[C@]1(O)CCN(c2ccc(C#N)nn2)C1 1111065491 CYDGBETWDNWAMJ-OAHLLOKOSA-N 319.365 -0.433 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)COC)C1 1111657174 FXHUEFLSAORGOZ-KEYYUXOJSA-N 321.421 -0.011 30 20 DBED CC(=O)NCC(=O)N(C)CCCN(C)c1nccnc1C#N 1112028653 YFQYWNURFGGRMG-UHFFFAOYSA-N 304.354 -0.231 30 20 DBED CN(CCCN(C)c1nccnc1C#N)C(=O)CCNC(N)=O 1112090144 SZNQZLZIYILYCB-UHFFFAOYSA-N 319.369 -0.309 30 20 DBED C#CCO[C@H](C)C(=O)N1CCN([C@H](C)C(=O)NCC=C)CC1 1112841551 BWYROOYHPRHKOP-ZIAGYGMSSA-N 307.394 -0.140 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN([C@@H](C)C(=O)NC)CC1 1113410223 SFQLSDZTYRMIMD-JSGCOSHPSA-N 324.425 -0.264 30 20 DBED CCc1cc(C(=O)NC2[C@H]3CN(CC(=O)NCC#N)C[C@H]23)n[nH]1 1113897446 VKPKNOUAEGPRQU-QWRGUYRKSA-N 316.365 -0.728 30 20 DBED C=C[C@](C)(O)CC(=O)NC1[C@@H]2CN(CC(=O)NC(C)C)C[C@@H]12 1114195026 ZLZLOQRONPVBCM-HSMVNMDESA-N 309.410 -0.116 30 20 DBED C=CCN1C[C@@H]2C(NC(=O)CCc3nnc(O)nc3O)[C@H]2C1 1114515464 DPVDCHWSIHSKMO-IUCAKERBSA-N 305.338 -0.552 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)c3ccnnc3)[C@H]2C1 1114883275 VIZSFWPCRUHRPV-DRZSPHRISA-N 313.361 -0.726 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@H]3CC34CCC4)[C@H]2C1 1114888986 RREYFMHHNAETMV-COMQUAJESA-N 301.390 -0.028 30 20 DBED C[C@H](CCCN=c1cc[nH]c(C#N)n1)NC(=O)Cc1nc[nH]n1 1114991110 UZNHWBKDMKEWAF-SNVBAGLBSA-N 314.353 -0.172 30 20 DBED COCC#CCNC1(CNC(=O)CNC(N)=O)CCCCC1 1115399006 IZEFAIYQPNQTLF-UHFFFAOYSA-N 310.398 -0.287 30 20 DBED CCn1cc(C(=O)NC[C@H](CO)Nc2nccnc2C#N)cn1 1121228950 PUGRBVCFXSKEHN-LLVKDONJSA-N 315.337 -0.233 30 20 DBED CN1CCCC[C@@H]1C(=O)NC[C@@H](CO)Nc1cnc(C#N)cn1 1122861298 PUYXIAYCOWHNAP-QWHCGFSZSA-N 318.381 -0.278 30 20 DBED COCCOCC(=O)N(C)C[C@@H](O)CNc1cnc(C#N)cn1 1124189939 BJMORRAFBCOXSD-LBPRGKRZSA-N 323.353 -0.758 30 20 DBED Cc1nn[nH]c1C(=O)N(C)C[C@H](O)CNc1ccc(C#N)nn1 1124634169 XUIQIHDSWMNWJR-SNVBAGLBSA-N 316.325 -0.680 30 20 DBED CN(C[C@@H](O)CNc1ncccc1C#N)C(=O)[C@H]1C[C@H]1C(N)=O 1124769517 JQYDVWILDLXEQU-TUAOUCFPSA-N 317.349 -0.694 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@H]1CC(=O)N(C(C)(C)C)C1 1128657246 KKOSOKDRXOEKAT-LBPRGKRZSA-N 324.425 -0.359 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1ncc(OC)cc1F 1128944050 WYZHZDDFIXUBEG-UHFFFAOYSA-N 310.329 -0.149 30 20 DBED CNC(=O)CN[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1c1cn(C)cn1 1130531764 FOEMPKZPLMURPB-NTZNESFSSA-N 318.381 -0.790 30 20 DBED C#CCNC[C@H]1CN(C(=O)Cn2nc(C)n(C)c2=O)CC[C@H]1C 1133288234 HUDWBNCIBGTICU-OCCSQVGLSA-N 319.409 -0.402 30 20 DBED CCn1ncc(C(=O)N[C@@H](C)C[C@@H](C)NCC(=O)NCC#N)n1 1134265226 KWSAWANQYUHQMQ-MNOVXSKESA-N 321.385 -0.576 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)Cn1cc(Cl)cn1 1134487040 GVUBRBBAHUWSJK-JTQLQIEISA-N 313.789 -0.067 30 20 DBED CC#CCN[C@@H](C)C[C@@H](C)NC(=O)c1cnc(O)n(C)c1=O 1135166183 KHEMRXHXIOCIDL-WDEREUQCSA-N 306.366 -0.004 30 20 DBED COCC#CCN[C@@H](C)C[C@H](C)NC(=O)c1c[nH]c(=O)cn1 1135325204 JZLMATKRZLEACR-RYUDHWBXSA-N 306.366 -0.094 30 20 DBED C=CCNC(=O)CN1CCCO[C@@H](CNC(=O)CCOC)C1 1148970059 SZTNSMBBFJZVLR-ZDUSSCGKSA-N 313.398 -0.468 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)C[C@@H]1CCCCC(=O)N1 1149113290 QRRNDDNSLKMBAV-OLZOCXBDSA-N 324.425 -0.168 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1csc(COC)n1 1153366886 VJBBMGGYNFTXBY-UHFFFAOYSA-N 312.395 -0.089 30 20 DBED C#CCN(CC)[C@H](C)CNC(=O)C1CC2(C1)NC(=O)NC2=O 1155764718 XXCTWYPFRAHSBS-RWWNRMGGSA-N 306.366 -0.566 30 20 DBED C=C(Br)CNCCCNC(=O)Cn1cnnc1O 1156879258 FAINKYWPNMPJOU-UHFFFAOYSA-N 318.175 -0.012 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)CC1OCCCO1 1157060670 MHLTWRLSJUCYMU-GFCCVEGCSA-N 311.382 -0.627 30 20 DBED C#CCCCC(=O)NCCCNC[C@@H](O)COCCOC 1157170522 KLSDHXCMFUETSO-CQSZACIVSA-N 300.399 -0.090 30 20 DBED COCC1(CNC(=O)[C@H]2CN(C)CCO2)CCN(CC#N)CC1 1162187972 LTFISQIABQCMDI-CQSZACIVSA-N 324.425 -0.315 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)c2cn(C)c(O)n2)C1=O 1165867657 HBNNWRQJSLHDAB-NSHDSACASA-N 321.381 -0.378 30 20 DBED CC#CCN1CCO[C@@H]2CCN(C(=O)CNC(=O)C3CC3)C[C@H]21 1176936199 DTYNUQTWDCRYGU-HUUCEWRRSA-N 319.405 -0.162 30 20 DBED CC#CCN1CCO[C@@H]2CCN(C(=O)CNC(=O)NC)C[C@H]21 1177026212 WVUOVZRIKZQMLZ-CHWSQXEVSA-N 308.382 -0.760 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)[C@H](CC)N(C)C)[C@H]1C 1179549734 IBILEBOZDGIRPR-IHRRRGAJSA-N 308.426 -0.345 30 20 DBED COCC#CCN(C)[C@H]1CCN(C(=O)CS(C)(=O)=O)C1 1189161293 PVJSVWRGYIGZLM-LBPRGKRZSA-N 302.396 -0.787 30 20 DBED COCC1(C(=O)N2CC[C@@H](N(C)CC(=O)NCC#N)C2)CC1 1191331092 NCZWZLHYQBGWRP-GFCCVEGCSA-N 308.382 -0.415 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 1192038377 UGEARLBDPPHMPM-ZIAGYGMSSA-N 304.350 -0.136 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H](C)n2cccc2)C1 1192258302 SSEVYPMOJYKLMD-BFHYXJOUSA-N 320.393 -0.487 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)CCc2ccnn2C)C1 1193428188 YQTZCKAZKINDPA-HUUCEWRRSA-N 320.393 -0.836 30 20 DBED C#CCCN(C)[C@H]1CCN(C(=O)Cn2nc(C)n(C)c2=O)C1 1193788232 YKTOPDGBCKLNJZ-ZDUSSCGKSA-N 305.382 -0.554 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C2CC2)N(C)C)C1 1193791196 FLQUBNIRKXNFPY-RBSFLKMASA-N 311.426 -0.310 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)CCn2cncn2)CC1 1194844459 YJRZGKIRUZSXHT-UHFFFAOYSA-N 320.397 -0.495 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCCN(Cc2nc(O)n[nH]2)CC1 1195652812 YBMBDSRTIUMVSF-CQSZACIVSA-N 309.370 -0.128 30 20 DBED C[C@H](CC(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1O)C(C)(C)C 1198125895 BZFQTUWIDVPQGJ-JHJVBQTASA-N 324.425 -0.140 30 20 DBED C=CCCCN1CCCN(C(=O)c2cn(CC(N)=O)nn2)CC1 1198251811 IEPYIYCKOFIEJV-UHFFFAOYSA-N 320.397 -0.123 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)CN2CCOCC2)C1 1198699843 YTONGANSSIVSBQ-RRFJBIMHSA-N 311.426 -0.308 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(Cc2ccnn2C)C[C@H]1O 1199284775 SMIOOJDHETZKTR-ZIAGYGMSSA-N 308.382 -0.326 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)c2[nH]c(O)nc2C)CC1 1201164422 AQMBNUNLMWEXJP-UHFFFAOYSA-N 321.381 -0.080 30 20 DBED CS(=O)(=O)CCCC(=O)N1CCCO[C@H](CNCC#N)C1 1201629651 LDGOSBLLGXMBPE-GFCCVEGCSA-N 317.411 -0.458 30 20 DBED C#CCNC[C@H]1CN(C(=O)c2nc3ncccn3n2)CCCO1 1201696324 XRIHBILAGRHRQW-LBPRGKRZSA-N 314.349 -0.422 30 20 DBED C=CCO[C@H](C)C(=O)N1CCCO[C@@H](CNCC(=O)NC)C1 1202200349 LGKCRRQPPZUPEI-OLZOCXBDSA-N 313.398 -0.469 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)[C@@H](CC)NC(C)=O)CC1 1202595482 CALYPTXTTKESCL-CQSZACIVSA-N 324.425 -0.216 30 20 DBED Cn1ncnc1COCC(=O)N[C@H]1C[C@H](NCC#N)C12CCC2 1203557491 NYTJNPUJEKESGV-RYUDHWBXSA-N 318.381 -0.128 30 20 DBED COCC#CCNCC1CCN(C(=O)CS(C)(=O)=O)CC1 1204655432 URRSLBXYBPSYQV-UHFFFAOYSA-N 316.423 -0.491 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)[C@H]2CN(C)CCO2)[C@H](C)C1 1206739356 GPZNUROCUAAHNG-MGPQQGTHSA-N 324.425 -0.944 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1CCCN(C(=O)c2ccnn2C)C1 1207604057 XEBZNRZOJVZYMJ-OLZOCXBDSA-N 317.393 -0.248 30 20 DBED N#CCNC(=O)CN[C@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1 1207819993 NGYVXQYLIVPMLG-LBPRGKRZSA-N 314.349 -0.280 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)c2[nH]nnc2C)[C@H](C)C1 1208275596 OISVURMMARGAPB-YUSALJHKSA-N 318.381 -0.699 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCN(C(=O)Cc2cncs2)C1 1208378411 RMRRTZRXZFNTFT-LLVKDONJSA-N 321.406 -0.094 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)c2cnn(C)n2)C1 1210115976 CRBVJFJYSCFGND-VXGBXAGGSA-N 320.397 -0.300 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)CSC)[C@H](OC)C1 1211828247 WUNQAJABVNBRGO-IJLUTSLNSA-N 315.439 -0.145 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](NCCC[C@@H](C)O)[C@H](C)C1 1214473843 RJEBQMOVMCIRKD-MGPQQGTHSA-N 309.410 -0.277 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)CCc2ccc(C(N)=O)cc2)C1 1220000827 UXTVIMQLHDCSFE-KGLIPLIRSA-N 316.361 -0.597 30 20 DBED N#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)C(C2CC2)C2CC2)C1 1220722773 NYZTUCBZGUUJKK-OLZOCXBDSA-N 320.393 -0.776 30 20 DBED COCCCNC(=O)CN1CC[C@@H]2CN(C(=O)[C@H](C)C#N)[C@@H]2C1 1221446174 CDNHTBIEBCHDGL-MGPQQGTHSA-N 322.409 -0.169 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)[C@H]3CCCCO3)[C@@H]2C1 1221480547 OFBRVRDRXSYFIN-RBSFLKMASA-N 319.405 -0.162 30 20 DBED N#CCNC(=O)CN1CC[C@@H]2CN(C(=O)[C@@H]3[C@H]4COC[C@H]43)[C@@H]2C1 1221752083 FJTCYHVAFQZJMI-VVSAWPALSA-N 318.377 -0.949 30 20 DBED C#CCN1CCC(CNC(=O)[C@@H](C)NS(C)(=O)=O)CC1 1224656808 IZSTYDAPHFTQPR-LLVKDONJSA-N 301.412 -0.615 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)c2cccnn2)CC1 1224921846 XACCGEASPOCQRI-UHFFFAOYSA-N 315.377 -0.332 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CCCC[C@H]1N[C@H]1CCNC1=O 1225779688 UAQIJGRDWJBOGM-UPJWGTAASA-N 320.393 -0.969 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)[C@H]2CCCCN2C)CC1 1227987151 UACBYEDCIOBCOI-OAHLLOKOSA-N 320.437 -0.199 30 20 DBED C=CCCCN1CCC(NC(=O)CNS(=O)(=O)NC)CC1 1228457052 JINWCVIUINNZJJ-UHFFFAOYSA-N 318.443 -0.413 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1ccnnc1 1228752915 BRXDUADTWBVAQP-CHWSQXEVSA-N 316.365 -0.253 30 20 DBED CC#CCN1CCS(=O)(=O)[C@H](CCNC(=O)COC)C1 1230399339 QTXHQEINTNHQKD-GFCCVEGCSA-N 302.396 -0.739 30 20 DBED C#CCN1CCS(=O)(=O)[C@H](CCNC(=O)CCCOC)C1 1230425067 AUOVWXMVCNHQMO-CYBMUJFWSA-N 316.423 -0.349 30 20 DBED N#CCN1CCS(=O)(=O)[C@H](CCNC(=O)c2ncccn2)C1 1230512019 GTICIUZUWQCAQP-LLVKDONJSA-N 323.378 -0.781 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@@H]1CN(C)C(=O)CNC(=O)OC 1230925937 RGAGRILFYLNTCT-NWDGAFQWSA-N 324.381 -0.987 30 20 DBED C=CCCO[C@H](C)C(=O)NCCCN(C)CC(=O)NC(N)=O 1235231675 ZZWONLSWVQXKHP-LLVKDONJSA-N 314.386 -0.399 30 20 DBED C=CCNC(=O)CNC[C@H]1CCCN1C(=O)c1cnccn1 1267949653 TZXZTVFJYILRJU-GFCCVEGCSA-N 303.366 -0.027 30 20 DBED C=CCN1CC[C@@H](N(C)CC2(O)CCS(=O)(=O)CC2)C1=O 1321342229 ZZUBXFIOEGYUOR-GFCCVEGCSA-N 316.423 -0.355 30 20 DBED C[C@H](CNC(=O)C(=O)N1CCO[C@H](C#N)C1)N1CCCCC1 1321736706 XGFUFOHYSGVPRH-CHWSQXEVSA-N 308.382 -0.272 30 20 DBED C[C@@]1(C#N)CCCN(C(=O)C(=O)NCCCS(C)(=O)=O)C1 1321767818 RZHVREPQUMPPQZ-ZDUSSCGKSA-N 315.395 -0.310 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)NCc1ccc(C(=O)NC)cc1 1321785044 UNBSZWZHQKMLCL-ZDUSSCGKSA-N 319.361 -0.020 30 20 DBED C#CCOCCN(C)CCNS(=O)(=O)c1cnn(C)c1 1323093308 DVUPVHZODCAQNT-UHFFFAOYSA-N 300.384 -0.720 30 20 DBED C=C(C)COCCNC(=O)C(=O)N1CCC[C@H](C(=O)NC)C1 1325551974 ZQHGLXYGHNIOPL-LBPRGKRZSA-N 311.382 -0.320 30 20 DBED CN(CCN(C)C1CC1)C(=O)C(=O)N1CC[C@](O)(CC#N)C1 1326227534 OITRAYSXSHLROU-OAHLLOKOSA-N 308.382 -0.584 30 20 DBED C[C@@H]1CN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CC[C@@H]1O 1329511719 VAPLQLFKOJZUTO-XBFCOCLRSA-N 320.393 -0.586 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N1CC[C@H](CN(C)C)C1 1330875935 IBRXLGRMRPPJRP-ZIAGYGMSSA-N 309.410 -0.059 30 20 DBED N#Cc1ccc(F)c(CNC(=O)C(=O)NC[C@@H]2COCCO2)c1 1333017854 OPYHHQXESHPPKI-GFCCVEGCSA-N 321.308 -0.155 30 20 DBED N#Cc1ccc(F)c(CNC(=O)C(=O)NC[C@H]2COCCO2)c1 1333017855 OPYHHQXESHPPKI-LBPRGKRZSA-N 321.308 -0.155 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)N(CCS(C)(=O)=O)C1CC1 1347038055 CXKAYIJZQVFSRT-JTQLQIEISA-N 318.395 -0.661 30 20 DBED C#CC1CCN(C(=O)C(=O)N[C@@H]2CCS(=O)(=O)[C@@H]2C)CC1 1349465528 VMRCMNRVSQYKGL-ZYHUDNBSSA-N 312.391 -0.450 30 20 DBED N#Cc1ccc(CCC(=O)N2C[C@@H](C(N)=O)[C@@H](C(N)=O)C2)cc1 1363317003 OVWVMCCALCSVNZ-BETUJISGSA-N 314.345 -0.464 30 20 DBED COC(=O)C1=C(C)O[C@@H](Cn2c(=O)c(C#N)c(C)n(C)c2=O)C1 1364300151 AMALFFLRVSDCTK-SNVBAGLBSA-N 319.317 -0.037 30 20 DBED N#CC1(C(=O)NCCc2nnc3c(=O)[nH]ccn23)CCOCC1 1364817408 AERNKDCUYVZOFW-UHFFFAOYSA-N 316.321 -0.603 30 20 DBED COc1c[nH]c(C(=O)N(C)CCNC(=O)[C@H](C)C#N)cc1=O 1373649951 PZBORBAXMVWWFX-SECBINFHSA-N 306.322 -0.269 30 20 DBED COCC(=O)NCCC(=O)NC[C@H]1CCCN1C(=O)[C@@H](C)C#N 1375535861 ROUXOWKXSWKECG-NWDGAFQWSA-N 324.381 -0.594 30 20 DBED CCC(=O)NCC(=O)NC[C@H]1CCN1C(=O)c1ccc(C#N)[nH]1 1378280291 BDIZBKISCHJHKQ-LLVKDONJSA-N 317.349 -0.257 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)C2(NC(N)=O)CC2)CCCC1 1388214480 PGIFSGZGLCCSAN-SNVBAGLBSA-N 321.381 -0.108 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CCNC(=O)[C@H]2COC(=O)N2)CC1 1388316724 UJJHMOANQOIVAY-ZYHUDNBSSA-N 322.365 -0.001 30 20 DBED CCc1nnsc1C(=O)NC[C@@H](O)CNC(=O)[C@H](C)C#N 1392129416 KTLAVLROMVUOOI-SFYZADRCSA-N 311.367 -0.533 30 20 DBED CC(C)S(=O)(=O)CC(=O)NC[C@H]1CCN1C(=O)[C@H](C)C#N 1393330164 TVCNTPKZKBZDMW-GHMZBOCLSA-N 315.395 -0.314 30 20 DBED C[C@H](C#N)C(=O)N[C@@H](CNC(=O)c1nccnc1N)C1CC1 1407601479 NARGTEIPTJRQJN-SCZZXKLOSA-N 302.338 -0.157 30 20 DBED Cc1cnn(CC(=O)N(C)C[C@@H](O)CNC(=O)[C@@H](C)C#N)c1 1413237358 PHGZYLWMXUEELS-RYUDHWBXSA-N 307.354 -0.713 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)CNC(=O)C3CC3)[C@H]2C1 1415063271 RFKAPBBLZPTYMJ-GOONRYMUSA-N 304.350 -0.755 30 20 DBED C[C@H](C#N)C(=O)N(C)CCNC(=O)c1ccc2nnc(O)n2c1 1429362378 YNPMGROFRXWMGA-SECBINFHSA-N 316.321 -0.217 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC(CNC(=O)CCCC(N)=O)C2)c1 1432438639 BPQVYLXNWCTQPF-UHFFFAOYSA-N 317.349 -0.270 30 20 DBED C[C@@H](CC(N)=O)C(=O)NCC1CN(C(=O)c2ccc(C#N)[nH]2)C1 1432465802 BWYOUERVSJFEOR-VIFPVBQESA-N 317.349 -0.414 30 20 DBED C[C@H](CNCc1nc(=O)n(C)[nH]1)NC(=O)c1cc(C#N)c[nH]1 1445352324 NZJKDIVQHBINLL-MRVPVSSYSA-N 303.326 -0.784 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)c2ccc(C(N)=O)cn2)C1 1447469079 KBQSOSAFHJMRKY-LSJOCFKGSA-N 315.333 -0.283 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]1CN(C)C(=O)CCn1ccnn1 1452850619 XMWRRNKUTKDAEF-NWDGAFQWSA-N 304.354 -0.113 30 20 DBED Cn1ncc(C(=O)NCC2(NC(=O)c3c[nH]c(C#N)c3)CC2)n1 1459020468 PJNCJXVIRARXSM-UHFFFAOYSA-N 313.321 -0.293 30 20 DBED CC(=O)NCC(=O)N(C)C[C@@H](O)CNCc1cccc(C#N)c1 1486256502 FOBGBRSQXFLIMM-HNNXBMFYSA-N 318.377 -0.397 30 20 DBED C[C@H](C#N)C(=O)NCCN1CCN(C(=O)c2ccnn2C)CC1 1493183822 JJOWSEAEZIJTLK-GFCCVEGCSA-N 318.381 -0.546 30 20 DBED C#CCOCCC(=O)N[C@H]1CCN(CC(=O)NCC(C)C)C1 1494704635 PGWZQGPTLNOBEG-AWEZNQCLSA-N 309.410 -0.011 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1cnn2cccnc12 1501591566 LORXMCHKNSDEAU-VHSXEESVSA-N 316.321 -0.904 30 20 DBED CCN1C[C@@H](CNc2cnc(C#N)c(-c3nn[nH]n3)n2)CC1=O 1578216121 YKOQLMMEBKJORG-MRVPVSSYSA-N 313.325 -0.191 30 20 DBED COc1c(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[nH]2)cnn1C 1579874967 PXDADOHAYBBNSU-UHFFFAOYSA-N 314.269 -0.544 30 20 DBED Cn1nc(O)c2c1CN(c1cnc(C#N)c(-c3nn[nH]n3)n1)CC2 1581824614 WFJCEJFEIXZYNL-UHFFFAOYSA-N 324.308 -0.470 30 20 DBED N#Cc1nc(N(CCO)C2CCOCC2)cnc1-c1nn[nH]n1 1581878742 ZOYCMITVNBFFFN-UHFFFAOYSA-N 316.325 -0.494 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2CC[C@@H](C(=O)O)C2)C1=O 1588464251 KJXRBQSPDZEYKJ-GHMZBOCLSA-N 323.349 -0.835 30 20 DBED Cc1nc(C(=O)N[C@@H]2CCCN(O)C2=O)ccc1-c1nn[nH]n1 1592348372 CSENOWRAFMOEJP-SNVBAGLBSA-N 317.309 -0.320 30 20 DBED N#CC1(C(=O)O)CCN(C(=O)C(=O)N2CCC3(COC3)C2)CC1 1601049912 XZVHHCBQUMWOCS-UHFFFAOYSA-N 321.333 -0.548 30 20 DBED COCCN(CCC#N)S(=O)(=O)c1cc(C(=O)O)[nH]n1 1606885148 QEOWYBJZJXSSAK-UHFFFAOYSA-N 302.312 -0.341 30 20 DBED N#CCC1(O)CN(C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 1609494553 HOXYZCHKWLWJGG-GFCCVEGCSA-N 300.322 -0.140 30 20 DBED N#C[C@@H]1COCCN1CC(=O)Nc1nc(CC(=O)O)cs1 1610621197 ZXYRNWRJELFIBG-SECBINFHSA-N 310.335 -0.067 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2CCCN(CC(N)=O)C2)cc1O 1647157163 VLEWFFOLNYJNSB-LBPRGKRZSA-N 302.334 -0.057 30 20 DBED C[C@@H](CCNC(=O)c1csc(O)n1)NCC(=O)NCC#N 1717341722 ALORSOYPQWKMQY-QMMMGPOBSA-N 311.367 -0.414 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@H]1C[C@@H](NC(=O)c2ccc(O)nn2)C1 1752712231 JZQKWJBHURCNIX-MXWKQRLJSA-N 319.365 -0.277 30 20 DBED C#CCNC(=O)[C@@H](C)N(CCC)CCNC(=O)c1cn(C)nn1 1753144012 HNHAVLHCOBJOIX-GFCCVEGCSA-N 320.397 -0.605 30 20 DBED C=CCNC(=O)CN1CC(NC(=O)CCc2ccncn2)C1 1753379826 ZWPFQSMQLMBJSV-UHFFFAOYSA-N 303.366 -0.488 30 20 DBED COCC#CCN1CC(NC(=O)CNC(=O)CCC(C)C)C1 1753390361 ZGYPWKXSRUNJSL-UHFFFAOYSA-N 309.410 -0.011 30 20 DBED COCC#CCN1CC2(CCN(C(=O)[C@H]3CCNC3=O)CC2)C1 1753673746 BXYHLAZNJKXACQ-AWEZNQCLSA-N 319.405 -0.303 30 20 DBED C#CCNC(=O)[C@@H](C)N(C)C[C@@H](C)NC(=O)c1cn(C)nn1 1754307358 AKFGHLCNQXJGHC-GHMZBOCLSA-N 306.370 -0.997 30 20 DBED CN(CCCN(C)C(=O)C1=CCOCC1)CC(=O)NCC#N 1755036504 SMQOGGAHXGIVGO-UHFFFAOYSA-N 308.382 -0.247 30 20 DBED C=C(C)CNCC1(O)CCN(C(=O)[C@H]2CN(C)C(=O)N2)CC1 1755151568 JZXBGIQEKJJDQM-GFCCVEGCSA-N 310.398 -0.471 30 20 DBED CCc1cc(C(=O)N[C@H](C)[C@H](C)NCC(=O)NCC#N)n[nH]1 1755226946 FJZIKMQMEZBOPQ-VHSXEESVSA-N 306.370 -0.292 30 20 DBED COCC#CCN[C@H](C)[C@H](C)NC(=O)c1ccc(C(N)=O)cn1 1755271322 ZXDXYSAEMTWLBV-NEPJUHHUSA-N 318.377 -0.073 30 20 DBED C=C(C)CN1CC(CCO)(NC(=O)c2cccnc2C(N)=O)C1 1755344742 SHDQVDLZOSQOLU-UHFFFAOYSA-N 318.377 -0.077 30 20 DBED C#CCNC[C@H]1CC[C@@H](NC(=O)CS(=O)(=O)CCOC)C1 1755737301 HSFLLCZDTBFVIW-QWHCGFSZSA-N 316.423 -0.445 30 20 DBED C=C(C)CCC(=O)N(C)C[C@H](O)CNCc1nc(=O)n(C)[nH]1 1755781165 ROQKLMZJSWVMDD-LLVKDONJSA-N 311.386 -0.626 30 20 DBED CN(Cc1cnnn1C)C[C@H](O)CN(C)C(=O)C#CC1CC1 1755801125 VCRXOTURQSSQHF-AWEZNQCLSA-N 305.382 -0.520 30 20 DBED C=CCO[C@@H](C)C(=O)N(C)[C@H](C)CNC(=O)CNC(=O)OC 1756004735 CULLZBAOVAXKSV-MNOVXSKESA-N 315.370 -0.103 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@H](CO)NC(=O)c1cc(C)nn1C 1756515998 SSBMJQZTVDAWGA-ABAIWWIYSA-N 324.381 -0.737 30 20 DBED CC(C)C#CC(=O)N[C@@H](CO)CNC(=O)Cc1cscn1 1756523647 XZDWKPLXOOMPON-GFCCVEGCSA-N 309.391 -0.062 30 20 DBED C=CC(C)(C)CC(=O)NC[C@@H](CO)NC(=O)[C@@H]1CCC(=O)N1 1756524515 XZVMWSDVIQEDQG-QWRGUYRKSA-N 311.382 -0.539 30 20 DBED C=CCOCC(=O)N[C@@H]1CCC[C@@H]2CN(C(=O)CC(N)=O)C[C@H]21 1756618971 IIGSKXAGYMDFKF-JHJVBQTASA-N 323.393 -0.192 30 20 DBED C=CCCCC(=O)N(C)C[C@@H](O)CNC(=O)[C@H]1CCC(=O)N1 1756677272 REWXAZAJDDIQSP-NWDGAFQWSA-N 311.382 -0.443 30 20 DBED CN(C)c1nc(N)nc(COC(=O)C2(C#N)CCOCC2)n1 1771625168 YVWVQOFOWOBFRC-UHFFFAOYSA-N 306.326 -0.117 30 20 DBED Cc1onc(CC(=O)N2CCO[C@H](c3nn[nH]n3)C2)c1C#N 1771647225 VSUDPKDFDLOQLU-JTQLQIEISA-N 303.282 -0.490 30 20 DBED CO[C@@H]1C[C@H](C(=O)O)CN(S(=O)(=O)N(C)CCC#N)C1 1777159707 OXYRLZCKUGXMNY-VHSXEESVSA-N 305.356 -0.502 30 20 DBED CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782010824 YGXOPQJGZVKMDX-IUODEOHRSA-N 308.334 -0.392 30 20 DBED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(C)(C)C)C[C@@H]21 1790790541 JMUIIHOQQIGCJH-IHRRRGAJSA-N 321.421 -0.013 30 20 DBED COC(=O)[C@]1(F)CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)C1 74776920 XRQWSDAIDSKDRY-ZDUSSCGKSA-N 310.285 -0.953 30 20 DBED N#Cc1ccc(Cl)cc1S(=O)(=O)NC[C@H](O)C(=O)O 90262840 WTGFNGIHTMKHNM-QMMMGPOBSA-N 304.711 -0.065 30 20 DBED C=CCNC(=O)NC(=O)CN1CCSC[C@H]1CC(=O)O 91131605 IQAABZQPOLFJCN-SECBINFHSA-N 301.368 -0.110 30 20 DBED CN(C)C(=O)CNC(=O)C(=O)N(C)Cc1cccc(C#N)c1 126486626 IIMHAUQYGXLNLI-UHFFFAOYSA-N 302.334 -0.279 30 20 DBED CC#CCNC(=O)C(=O)Nc1cc(-n2cnnn2)ccc1F 190511493 QZZORCDOEMJWPY-UHFFFAOYSA-N 302.269 -0.121 30 20 DBED N/C(=N/CC1(O)CCOCC1)N1CCN(c2ncccn2)CC1 261999194 OXACPYYVLYFNDS-UHFFFAOYSA-N 320.397 -0.545 30 20 DBED NC(=O)[C@H]1CC[C@@H](CNC(=O)C#Cc2ccc3c(c2)OCO3)O1 268555360 XDUHKBBNSPCVHI-WCQYABFASA-N 316.313 -0.084 30 20 DBED N#Cc1c(N2CCN3C(=O)C(=O)NC[C@@H]3C2)nc2ccccn12 272874796 DWPZWGFPPZKICL-SNVBAGLBSA-N 310.317 -0.647 30 20 DBED N#Cc1ccccc1S(=O)(=O)NCCC(=O)NCC(=O)O 278219775 IZFYIXXRMKFOAW-UHFFFAOYSA-N 311.319 -0.573 30 20 DBED CC(=O)Nc1nc(Cn2c(=O)c(C#N)cn(C)c2=O)cs1 298134593 NILQYLDHUMRFCW-UHFFFAOYSA-N 305.319 -0.118 30 20 DBED O=S1(=O)CCCC[C@@H]1C/N=C(/O)N1CCO[C@H](CO)C1 329729233 FSRQQJKSQNJMFA-WDEREUQCSA-N 306.384 -0.439 30 20 DBED Cc1cc(N2CC[C@H](/N=C(/O)Cn3cnnn3)C2=O)n(C)n1 329787542 YUVPNTZYXZGZPY-VIFPVBQESA-N 304.314 -0.523 30 20 DBED Cc1nc2n(n1)C[C@H](/N=C(/O)N1CCN3C(O)=NC[C@H]3C1)CC2 329812554 SDIHROVZSMPEPZ-MNOVXSKESA-N 319.369 -0.271 30 20 DBED C[C@@H](CN1CCOCC1)NS(=O)(=O)N(C)[C@H](C)CC#N 330419261 QGLRKKWHEKHMPI-NWDGAFQWSA-N 304.416 -0.225 30 20 DBED C[C@H](C[S@](C)=O)N/C(O)=N/C[C@@H]1CC[C@@H](C(=O)N(C)C)O1 330855206 SGQMFYINOLCZJI-ZMDVIYJKSA-N 319.427 -0.107 30 20 DBED CCC(CC)(NS(=O)(=O)N1CCO[C@H](C#N)C1)C(N)=O 336920344 PXUDJBDQUYSJAU-SECBINFHSA-N 304.372 -0.911 30 20 DBED C=CCCOCCNC(=O)N(C)C[C@@H](O)CN1CCOCC1 339908504 QUNXMVLAUFTOGX-CQSZACIVSA-N 315.414 -0.086 30 20 DBED C=C[C@H](C)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@@H]1O 342481449 PQSZGCTXJNFTAX-NEXPTJEISA-N 321.337 -0.576 30 20 DBED CC(C)(C)NC(=O)CCNC(=O)NCCn1cnc(C#N)n1 344689717 FVEDBZZZZKSZCF-UHFFFAOYSA-N 307.358 -0.246 30 20 DBED C=CCNC(=O)CNC(=O)Nc1ccc(S(N)(=O)=O)cc1 346774912 ZQUKZWXUGCSSAT-UHFFFAOYSA-N 312.351 -0.242 30 20 DBED CCN1CCN(C(=O)NCCn2cnc(C#N)n2)[C@H](C)C1=O 347639840 WYKMCLPNSBFKCS-SNVBAGLBSA-N 305.342 -0.588 30 20 DBED C=CCNC(=O)NC(=O)CN[C@@H](CC(N)=O)C1CCOCC1 348278650 BAULSPUGWFYXPA-NSHDSACASA-N 312.370 -0.742 30 20 DBED CN(C)S(=O)(=O)CCCS(=O)(=O)N[C@]1(C#N)CC1(C)C 349573419 JRESTTYRHZGTOG-NSHDSACASA-N 323.440 -0.120 30 20 DBED C=CCNC(=O)NC(=O)CN(CCC#N)CCN1CCOCC1 356064580 HNSFXJFMSAOZKR-UHFFFAOYSA-N 323.397 -0.454 30 20 DBED CCNS(=O)(=O)[C@@H]1CCN(S(=O)(=O)N(C)CCC#N)C1 356066053 CHVCIMICVXPAHV-SNVBAGLBSA-N 324.428 -0.910 30 20 DBED N#Cc1cncc(S(=O)(=O)Nc2ccn(CCC(N)=O)n2)c1 357132891 NVQQTUZMLLVQGS-UHFFFAOYSA-N 320.334 -0.174 30 20 DBED N#CCNC(=O)CNC(=O)N1CCN(CC2CCOCC2)CC1 358274344 LEBQKSAIPKAWDZ-UHFFFAOYSA-N 323.397 -0.620 30 20 DBED C=CCN(C(=O)CCNC(=O)NC)[C@H]1CCS(=O)(=O)C1 431385435 MBDKBRPRMPFVLO-JTQLQIEISA-N 303.384 -0.493 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@H]1CC[C@@H](CO)O1 431605496 RLBPCMKSGVESSO-TUAOUCFPSA-N 305.400 -0.158 30 20 DBED C#C[C@H](CCC)NC(=O)CN1CCN(S(C)(=O)=O)CC1 491651392 GNEXRIWCIWJSDY-GFCCVEGCSA-N 301.412 -0.518 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)C(=O)OC(C)(C)C)CC1 491663086 OWQIJDBZGYWLAU-GFCCVEGCSA-N 323.393 -0.390 30 20 DBED C#C[C@@H](C)N(C)CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 491717904 RQCOYLUBXUWZCW-GFCCVEGCSA-N 323.418 -0.054 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC2(C(=O)O)CCCC2)C1=O 533184278 UHQZJYCYYAKTRL-UHFFFAOYSA-N 323.305 -0.523 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)CN2CC[C@H](C)C2)CC1 548902153 PVELPDSUBMZLFQ-AWEZNQCLSA-N 308.426 -0.225 30 20 DBED COCC1=CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 554519270 BUENUUFQRQMRRS-LBPRGKRZSA-N 301.368 -0.266 30 20 DBED N#CCC1(O)CN(C(=O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)C1 569758751 QVHJLJMHYGGKNC-PHIMTYICSA-N 305.334 -0.351 30 20 DBED CN1C[C@@H]2CCCN(S(=O)(=O)N3CCO[C@@H](C#N)C3)[C@@H]2C1 572115265 XZROSXHXIKPLPT-RWMBFGLXSA-N 314.411 -0.518 30 20 DBED CC[C@@H](C#N)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 593419551 GRDUQEFBDRANRA-NSHDSACASA-N 302.400 -0.770 30 20 DBED CN(C)S(=O)(=O)N(C)CC(=O)NCCc1ccc(C#N)cc1 597891378 ZSKRSBCEQQZANI-UHFFFAOYSA-N 324.406 -0.045 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)[C@@H](C)[C@@H]2CCC(=O)N2)CC1 623603909 AAGSRGADRDAHPS-STQMWFEESA-N 322.409 -0.653 30 20 DBED C#CCSCCNC(=O)NCC1CN(S(C)(=O)=O)C1 777556498 UPDVLPVKOVOXLG-UHFFFAOYSA-N 305.425 -0.457 30 20 DBED N#CC1(CS(=O)(=O)NC(=O)[C@@H]2COCCO2)CCCC1 779320361 WRUTXIDHHQEAMO-JTQLQIEISA-N 302.352 -0.068 30 20 DBED C#CCNS(=O)(=O)N1CCN(Cc2cc(OC)ccn2)CC1 784224924 ZDBOKSXECAFIQP-UHFFFAOYSA-N 324.406 -0.325 30 20 DBED COC[C@H](NS(=O)(=O)c1ccc(C#N)c(F)c1)C(N)=O 813686968 RLASOTKIQTYYTR-JTQLQIEISA-N 301.299 -0.524 30 20 DBED COC(=O)N1C[C@H]2C=C[C@H]1[C@@H](C(=O)OCC(=O)NCC#N)C2 821097320 RUCGDRJJJCRPQN-DCAQKATOSA-N 307.306 -0.188 30 20 DBED COC(=O)[C@@H](CC(=O)O)NC(=O)C#Cc1ccc2c(c1)OCO2 831067450 RQFADFAIEVYASG-SNVBAGLBSA-N 319.269 -0.101 30 20 DBED Cc1ccc(S(=O)(=O)NCC(=O)N[C@@H]2CNC[C@@H]2C#N)cc1 843459754 HVBKAZOSLPNCQQ-WCQYABFASA-N 322.390 -0.499 30 20 DBED O=C(Cn1nnnc1-c1ccsc1)N[C@H]1CCCN(O)C1=O 848131130 YXOHAQSDYDAJGW-VIFPVBQESA-N 322.350 -0.102 30 20 DBED C#Cc1ccc(C(=O)N2CCCC[C@H]2CNS(N)(=O)=O)cn1 854840789 STYFOEKQJDYOOT-ZDUSSCGKSA-N 322.390 -0.149 30 20 DBED C#CCN1CCC[C@H](NC(=O)N(C)CC(=O)N2CCOCC2)C1 890372563 JZTQSJBQIFPJQS-AWEZNQCLSA-N 322.409 -0.416 30 20 DBED CCN(CCC#N)C(=O)COC(=O)CN1CCCS1(=O)=O 919362935 OEGJOWVYVNGCAT-UHFFFAOYSA-N 317.367 -0.673 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@H]2CCOC2)C1 941237686 FUNAGMWUBIVYAX-ZNMIVQPWSA-N 319.405 -0.162 30 20 DBED C[C@H](C#N)C(=O)N1CCC2(CC1)CN(C(=O)[C@@H]1CCNC1=O)C2 945035687 RHWHVMMOOFXGPK-VXGBXAGGSA-N 318.377 -0.267 30 20 DBED CN(C(=O)CN1CC(=O)NC1=O)[C@H]1CCCN(CC#N)CC1 948864364 DLGNCTRUCFPKHM-NSHDSACASA-N 307.354 -0.625 30 20 DBED CN1C(=O)CC[C@H]1C(=O)N1CCC2(CC1)CN(CC#N)CCO2 949436903 ITQPAKVVMBCVSK-ZDUSSCGKSA-N 320.393 -0.176 30 20 DBED C[C@@H](C#N)C(=O)N1CC(N(C)C(=O)c2cn(C)c(=O)cn2)C1 954979330 JZBGXFWMMOFVNT-VIFPVBQESA-N 303.322 -0.777 30 20 DBED C=CCCN1C[C@@H](O)[C@H](CNC(=O)c2ccc(=O)n(C)c2)C1 958202744 KQFYVQVGSICSTL-ZIAGYGMSSA-N 305.378 -0.016 30 20 DBED C#CCN1C[C@H](O)[C@H](CNC(=O)c2ccc3c(n2)OCCO3)C1 958214537 JAMSGCUURXTUHD-YPMHNXCESA-N 317.345 -0.492 30 20 DBED CC#CCN1C[C@@H](O)[C@@H](CNC(=O)c2nc[nH]c3nccc2-3)C1 958220152 UEMMBZHWPRWKTJ-WCQYABFASA-N 313.361 -0.045 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cn(CCC=C)nn2)C1 958477107 UPOFFYDDJHMTQN-GXTWGEPZSA-N 303.366 -0.490 30 20 DBED CC[C@H](C(N)=O)N1C[C@@H]2C(NC(=O)c3cc(C#N)c[nH]3)[C@H]2C1 958505085 OJQIMHMRVFMKKR-JBLDHEPKSA-N 301.350 -0.190 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2ccon2)C1 961747233 FOJKPOBVBCMWEW-XEZLXBQYSA-N 321.333 -0.433 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2[C@@H]3CN([C@H]4CCN(C)C4=O)C[C@@H]32)nc1 962343905 QYGCSINUOBUUNP-LQKXBSAESA-N 324.384 -0.046 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H]2CN(C(=O)Cn3nccn3)C[C@H]21 963828990 UKLDZDUHDOGYRH-RWMBFGLXSA-N 316.365 -0.113 30 20 DBED C#CCN1CC[C@@H](C)[C@@H](NC(=O)c2nccnc2C(N)=O)C1 968628485 ZEOPOXKSTCVIHB-MNOVXSKESA-N 301.350 -0.351 30 20 DBED C[C@@H](C#N)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)[C@@H]1CCC(=O)N1C)C2 969812094 UPUPHUGBMYZJMG-CYDGBPFRSA-N 318.377 -0.031 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1C[C@H]1C(N)=O 970019016 TXZGXEJCHYIIGC-HGCLJGPKSA-N 304.350 -0.531 30 20 DBED C#CCN1CC([C@@H](C)NC(=O)c2cn(CC(=O)N(C)C)nn2)C1 970928902 OFLBEUFGAGPXMM-LLVKDONJSA-N 318.381 -0.950 30 20 DBED CN(CC#N)[C@@H]1CCN(C(=O)c2ccc(-n3cnnn3)cn2)C1 972003972 AKBJIHQNWKHCTB-GFCCVEGCSA-N 312.337 -0.273 30 20 DBED N#CCN1CCO[C@]2(CCN(C(=O)c3cc(C(N)=O)c[nH]3)C2)C1 972614033 HSHYFJDJAWSPPB-OAHLLOKOSA-N 317.349 -0.446 30 20 DBED C#CCCN1C[C@H]2C(CNC(=O)c3cn(CCOC)nn3)[C@@H]2C1 978156537 NZXCZRRNZPMUCA-KBPBESRZSA-N 317.393 -0.145 30 20 DBED N#CCN1CCCN(C(=O)[C@]23C[C@H]4C[C@@H](C(=O)N2)[C@H]3C4)CC1 981495124 QEPOUXWKPLLJNB-VPWBDBDCSA-N 302.378 -0.041 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)c3nc[nH]n3)C[C@@H]2C1 986508472 GOJAKBGAROSCDL-MXWKQRLJSA-N 302.338 -0.115 30 20 DBED C[C@@H]1[C@@H](NC(=O)[C@@H]2CN(C)CCO2)CCN1C(=O)C#CC1CC1 987508388 XINUUQPFJFYITJ-SNPRPXQTSA-N 319.405 -0.164 30 20 DBED CCn1ncc(C(=O)N2CC(NC(=O)c3cc(C#N)c[nH]3)C2)n1 990695574 LFXIEGKOCGUNCC-UHFFFAOYSA-N 313.321 -0.248 30 20 DBED N#Cc1cc(C(=O)NC2CN(C(=O)[C@@H]3CCCNC3=O)C2)c[nH]1 990936515 VTMFOOVRMPCKEV-GFCCVEGCSA-N 315.333 -0.647 30 20 DBED C[C@H]1[C@H](NC(=O)c2cnc(O)n(C)c2=O)CCCN1CC#N 993682075 HVSSDWRCFWTRPO-GXSJLCMTSA-N 305.338 -0.408 30 20 DBED CN1C[C@@H](C(=O)NC2CN(C(=O)c3ccc(C#N)[nH]3)C2)CC1=O 993796446 XLVCXPBDSFTDKQ-VIFPVBQESA-N 315.333 -0.695 30 20 DBED C[C@@H](C#N)C(=O)N1CCCC2(C1)CN(C(=O)C1(C(N)=O)CC1)C2 1010819851 FCNWJJARKPRVPP-NSHDSACASA-N 318.377 -0.137 30 20 DBED Cn1nncc1C(=O)N1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 1011016929 PMOIPOCFAOQREH-UHFFFAOYSA-N 313.321 -0.387 30 20 DBED C=C(C)CCN1CC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 1014502683 PMHPDLDZJQGDCW-LLVKDONJSA-N 306.370 -0.466 30 20 DBED C[C@@H](C#N)C(=O)N1CC=C(CNC(=O)[C@@H]2CCC(=O)N2)CC1 1017609108 NPQXNUQMOZZBHS-JQWIXIFHSA-N 304.350 -0.300 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCN(C(=O)CCn3ccnn3)C2)C1 1019363210 NZTWRMBSVIKGBH-LBPRGKRZSA-N 316.365 -0.111 30 20 DBED C[C@H]1CN(C(=O)C(N)=O)CC[C@@H]1CNC(=O)c1ccc(C#N)[nH]1 1020796410 BLLMGJZTRWFFNM-VHSXEESVSA-N 317.349 -0.414 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1[C@@H]2CN([C@@H]3CCNC3=O)C[C@@H]21 1026056842 FSELUTOSOMUCRY-PRFQISJJSA-N 305.378 -0.488 30 20 DBED C=CCN1CC[C@H](CNC(=O)c2cn(C)c(=O)n(C)c2=O)C1 1028841676 ZLEXMCFRVVNFGR-LLVKDONJSA-N 306.366 -0.678 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2CCN1CCNC1=O 1029244636 JZEBVGRSLKPNFZ-UPJWGTAASA-N 305.382 -0.154 30 20 DBED C=CCN1[C@H]2CC[C@H]1CN(C(=O)CN1CCCS1(=O)=O)C2 1029329847 NURYRBBZHWIEMM-STQMWFEESA-N 313.423 -0.117 30 20 DBED CN1CC[C@H](C(=O)N2C[C@@H]3CC[C@H](C2)N3CC#N)S1(=O)=O 1029510926 RRCIGZZLCCWPJM-GRYCIOLGSA-N 312.395 -0.781 30 20 DBED CCCn1nnnc1CN1CC(NC(=O)c2cc(C#N)c[nH]2)C1 1030193816 BLADLIDJEOZBQS-UHFFFAOYSA-N 314.353 -0.103 30 20 DBED C=CCn1cc(C(=O)NC2CN(Cc3ncnn3C)C2)nn1 1031070170 RVKOBVRSJZNUNH-UHFFFAOYSA-N 302.342 -0.793 30 20 DBED C=CCn1cc(C(=O)NCC2CN([C@@H](CC)C(N)=O)C2)nn1 1032034927 IXDDXDCQTIURMD-LBPRGKRZSA-N 306.370 -0.610 30 20 DBED C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC(=O)N(CCOC)C1 1032431707 LVAZMPVZRNVYRZ-ILXRZTDVSA-N 319.405 -0.210 30 20 DBED C#CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CN2CC3CC2(CO1)C3 1032529571 NEGCGXSNYRMKIO-AUUXXJPVSA-N 301.390 -0.232 30 20 DBED C=CCN1CC[C@H](N2CC[C@H](N(C)C(=O)c3nc[nH]n3)C2)C1=O 1033514614 XLYHEYCHOCYEDS-RYUDHWBXSA-N 318.381 -0.262 30 20 DBED C#CCCN1CCO[C@@H](CNC(=O)c2cc(C(N)=O)c[nH]2)C1 1035559452 HWLNQLCPPBFLOS-LBPRGKRZSA-N 304.350 -0.433 30 20 DBED CC#CCN1CCO[C@H](CNC(=O)[C@H]2CN(C(C)=O)CCO2)C1 1035593771 ZTRBWWGNHWSXKC-HUUCEWRRSA-N 323.393 -0.926 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC[C@](O)(CNC(=O)c2ncc[nH]2)C1 1039662124 MJHFRJVNKQDUCI-NHYWBVRUSA-N 320.349 -0.859 30 20 DBED O=C(C#CC1CC1)NC[C@]1(O)CCN(C(=O)C2CCOCC2)C1 1039681014 RSOZZSZRMZXFHH-QGZVFWFLSA-N 320.389 -0.094 30 20 DBED C=CCCOCC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H](C)OC)C1 1040155245 CDTGVGKOSXCNDM-DOMZBBRYSA-N 314.382 -0.306 30 20 DBED Cc1n[nH]cc1C(=O)NC[C@@]1(O)CCN(C(=O)C#CC2CC2)C1 1040465167 XDWDDPRONSGVCQ-INIZCTEOSA-N 316.361 -0.175 30 20 DBED Cc1nn[nH]c1C(=O)NC[C@]1(O)CCN(C(=O)C#CC2CC2)C1 1040467221 OUWHXVBMFBQVBO-OAHLLOKOSA-N 317.349 -0.780 30 20 DBED Cc1cc(C(=O)N[C@@H]2CN(c3cncc(C#N)n3)C[C@H]2O)no1 1040898928 RVSJCHSEISBTJT-VXGBXAGGSA-N 314.305 -0.376 30 20 DBED CC#CCCCC(=O)N1CC(O)(CNC(=O)c2cnccn2)C1 1041260303 ZJMTVZVHNZFNPK-UHFFFAOYSA-N 316.361 -0.027 30 20 DBED C=CCCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)[C@H](C)C#N)C1 1041874024 NBUNDBKMBYJGIY-NEPJUHHUSA-N 309.366 -0.183 30 20 DBED C#CCN1CC(N(C)C(=O)[C@H]2COCCN2CC(F)F)C1 1043475081 WJBOMMZROWTSNA-GFCCVEGCSA-N 301.337 -0.272 30 20 DBED CC(C)c1n[nH]cc1C(=O)NCC1(O)CN(C(=O)[C@@H](C)C#N)C1 1043799432 DPXSEBSQXSYUCP-JTQLQIEISA-N 319.365 -0.004 30 20 DBED Cc1cc(C(=O)N[C@@H]2CN(c3ccncc3C#N)C[C@@H]2O)n[nH]1 1043869277 NNEMITVGWOHHHJ-OCCSQVGLSA-N 312.333 -0.036 30 20 DBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)C3=CCOCC3)C2)cn1 1043918762 SYLUZIGJSYTQOX-CABCVRRESA-N 314.345 -0.034 30 20 DBED CCCNC(=O)CCC(=O)NCC1(O)CN(C(=O)[C@H](C)C#N)C1 1044051127 GFTDMIZHVLGPGF-LLVKDONJSA-N 324.381 -0.858 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC(O)(CNC(=O)c2ccncn2)C1 1045164839 GTDVDACSINWTII-AWEZNQCLSA-N 320.349 -0.893 30 20 DBED C#CCCN1[C@H]2CC[C@H]1CN(C(=O)[C@@H]1CC(=O)NC(=O)N1)CC2 1045856148 AYHVCUQQTGTIHP-AVGNSLFASA-N 318.377 -0.327 30 20 DBED N#CCN1CC[C@@H](N2CCN(C(=O)c3cncnc3O)CC2)C1 1046038776 IRLNAHFDLGCZQD-GFCCVEGCSA-N 316.365 -0.462 30 20 DBED C=C[C@@H](CC)CC(=O)N1CC(O)(CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 1046737912 ZUFVBGXRCOCDPH-TUAOUCFPSA-N 323.393 -0.600 30 20 DBED CC(C)n1ccc(C(=O)NCC2(O)CN(C(=O)[C@H](C)C#N)C2)n1 1046940169 WBOOQZBWZMFQII-LLVKDONJSA-N 319.365 -0.073 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)CN2C(=O)CC(C)(C)C2=O)C1 1047379837 PFUKIAVQWIYKDJ-RYUDHWBXSA-N 323.393 -0.539 30 20 DBED C=CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2cn(C)c(=O)nc2O)C1 1047624987 VXKWCKKNQCMRMA-RYUDHWBXSA-N 322.365 -0.821 30 20 DBED C=CCO[C@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCOC)C1 1048003782 UEUKWVZWPIHLEZ-AGIUHOORSA-N 314.382 -0.356 30 20 DBED N#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)CN1CCCNC1=O 1049568163 SMAZMQTVVLQPIK-STQMWFEESA-N 305.382 -0.009 30 20 DBED C=CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cc2nc[nH]n2)C1 1049594883 QUWKUFLKWXYWCB-RYUDHWBXSA-N 321.381 -0.266 30 20 DBED CC#CCN1CCOC[C@H]1CNC(=O)[C@H]1CN(C(C)C)CCO1 1051082210 VSQBKWACIXERID-HZPDHXFCSA-N 323.437 -0.064 30 20 DBED C=CCOCC(=O)N[C@@H](C)[C@@H]1CCN(C(=O)c2cnn(C)n2)C1 1051183055 WXIHSECISHXZHJ-NWDGAFQWSA-N 321.381 -0.016 30 20 DBED C#CCN1CCOC[C@@H]1CNC(=O)[C@H]1CCc2nncn2C1 1051254357 HMXIYCMHRXUAJX-STQMWFEESA-N 303.366 -0.709 30 20 DBED Cn1cnnc1CNC[C@H]1CN(C(=O)C#CC2CC2)CCO1 1051613196 XAGYDBPIYWDYLP-ZDUSSCGKSA-N 303.366 -0.455 30 20 DBED N#Cc1ccc(N2CC[C@H](NC(=O)c3cnn[nH]3)[C@@H](O)C2)cn1 1051804778 AFRVGLGRYMNIBR-AAEUAGOBSA-N 313.321 -0.559 30 20 DBED C#CCCN1CCN([C@H]2CCN(C(=O)[C@H]3COC(=O)N3)C2)CC1 1052019298 XZTOJRGQPAQFKN-UONOGXRCSA-N 320.393 -0.663 30 20 DBED N#Cc1cncc(NC2CC(CNC(=O)[C@@H]3CNC(=O)N3)C2)n1 1052072572 KXVGNZSQGZGOOZ-AMUVOQDHSA-N 315.337 -0.664 30 20 DBED C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CNC(=O)C(N)=O)C2)cn1 1053088943 CXTFOQSIIKSCTR-ZYHUDNBSSA-N 314.345 -0.628 30 20 DBED O=C1NCCC[C@@H]1N1CC2(CN(C(=O)C#CC3CC3)CCO2)C1 1053249728 AVBTWPZNAXOFBU-AWEZNQCLSA-N 317.389 -0.408 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)[C@H]3CCCS3(=O)=O)CO2)C1 1054012658 FVKCVZDADAWEIK-VXGBXAGGSA-N 312.391 -0.844 30 20 DBED CC[C@@H](NC(C)=O)C(=O)N1C[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2C1 1055450958 XOOUNSWLNZQIQF-SCUASFONSA-N 320.393 -0.022 30 20 DBED N#Cc1nccc(N2CCN(C(=O)C[C@@H]3COC(=O)C3)CC2)n1 1055769095 HKGRNBUBZVQYDQ-NSHDSACASA-N 315.333 -0.050 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@](CO)(NC(=O)c2cnn[nH]2)C1 1056003634 YOQWCYJUZCYHRB-TVQRCGJNSA-N 306.326 -0.952 30 20 DBED C[C@@H](C#N)C(=O)N[C@@]1(CO)CCCN(C(=O)c2cnnn2C)C1 1056094355 SBACXPYMMNFFLF-HZMBPMFUSA-N 320.353 -0.942 30 20 DBED C[C@H](C(=O)NC1[C@H]2CN(c3ccc(C#N)nn3)C[C@H]12)n1cncn1 1056167631 CWNIPUBQPDTPRP-USWWRNFRSA-N 324.348 -0.248 30 20 DBED C#CCNC(=O)CC(=O)NCCN(CCO)C(=O)CCCC 1056991755 IGCGOXIOJMZLQL-UHFFFAOYSA-N 311.382 -0.747 30 20 DBED CC[C@@H](OC)C(=O)N(CCO)CCNC(=O)c1cc(C#N)c[nH]1 1057154269 UWEGQIVWPTWVRZ-CYBMUJFWSA-N 322.365 -0.138 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)[C@H](C)OCCOC 1057171164 QLAIOHINAALYNO-ZDUSSCGKSA-N 316.398 -0.059 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)CCCC(C)=O 1057193626 MDWSHJNDFDPGOZ-UHFFFAOYSA-N 314.382 -0.115 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCN(CCO)C(=O)c1cncnc1 1057406517 KUPYVDPARSTUDC-OAHLLOKOSA-N 322.365 -0.646 30 20 DBED C=CCCOCC(=O)NCCN(CCO)C(=O)[C@H](O)C(C)C 1057491248 YVAXBVXSVQILBL-CQSZACIVSA-N 316.398 -0.467 30 20 DBED Cc1nc(O)[nH]c1C(=O)NCCN(CCO)C(=O)C#CC(C)C 1057524141 AMEQARSCHKVCLN-UHFFFAOYSA-N 322.365 -0.366 30 20 DBED C[C@H]1CO[C@@H](C(=O)NCCN(CCO)C(=O)C#CC2CC2)C1 1057533563 RNDBJSFAMZFXRY-TZMCWYRMSA-N 308.378 -0.238 30 20 DBED N#Cc1cncc(N[C@@H]2CCCN(C(=O)[C@@H]3COC(=O)N3)C2)n1 1057631097 JKIOEBPRGZMRDD-KOLCDFICSA-N 316.321 -0.140 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)c1cncn1C 1058028346 LMRDPLFKCAJEBN-UHFFFAOYSA-N 310.354 -0.827 30 20 DBED N#Cc1nccnc1N1CC[C@H](NC(=O)C2=COCCO2)C1 1058276570 KOVHUPJAZFORSL-JTQLQIEISA-N 301.306 -0.069 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)[C@@]1(C)CCCOC1 1058654737 GPWRTEIQOBMNGT-DOMZBBRYSA-N 311.382 -0.100 30 20 DBED CC(C)[C@H](C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N)N(C)C 1058655042 OQGOCLLGAXYCLQ-QWHCGFSZSA-N 312.414 -0.331 30 20 DBED CCc1nocc1C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N 1058752856 RACMPSWBHJWFDI-JTQLQIEISA-N 308.338 -0.053 30 20 DBED C#CCCCC(=O)N1CC[C@H](CCNC(=O)[C@H]2CNC(=O)N2)C1 1059551915 SVVCSMSJKYJCOM-QWHCGFSZSA-N 320.393 -0.174 30 20 DBED C[C@@H](C#N)C(=O)NCC[C@H]1CCN(C(=O)c2cn(C)nn2)C1 1059586426 QLDASKCMHHMFGV-QWRGUYRKSA-N 304.354 -0.057 30 20 DBED C#CCCCC(=O)NCC[C@@H]1CCN(C(=O)Cn2ncnn2)C1 1059695288 JUKRNPISSGEHBE-CYBMUJFWSA-N 318.381 -0.169 30 20 DBED C[C@]1(C(=O)N[C@H]2C[C@@H](Nc3ccc(C#N)nn3)C2)CCNC1=O 1059823667 UWVDKMZJWDLNDM-RWSFTLGLSA-N 314.349 -0.066 30 20 DBED C[C@@H](C#N)C(=O)NCC[C@@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 1060277826 PUUHLVWJSGXNHJ-WDEREUQCSA-N 306.366 -0.234 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)CCc1ncc[nH]1 1061544112 BAELAEXOPBSOOS-NEPJUHHUSA-N 319.365 -0.154 30 20 DBED CCN(CC)CC(=O)NC[C@@H]1COCCN1C(=O)[C@H](C)C#N 1061603030 UVSOOAAYFAUIOG-CHWSQXEVSA-N 310.398 -0.169 30 20 DBED C#CCCCC(=O)N1CCOC[C@H]1CNC(=O)c1cnn(C)n1 1061706394 JSLCLYMZLKISIR-GFCCVEGCSA-N 319.365 -0.424 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)CCn2cncn2)CCC1 1062551541 KPJXOFFKYYCAGV-NSHDSACASA-N 304.354 -0.017 30 20 DBED C#CCNC(=O)CC(=O)NCC1(NC(=O)[C@@H]2CCOC2)CCC1 1062829130 AEBHIMIIGSUEHO-GFCCVEGCSA-N 321.377 -0.683 30 20 DBED C#CCO[C@@H](C)C(=O)NCC1(NC(=O)[C@@H](C)CC(N)=O)CCC1 1063046821 RPBWDSULBUSLHO-RYUDHWBXSA-N 323.393 -0.309 30 20 DBED Cc1cc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)Cn2ncnn2)c(C#N)cn1 1064297953 QNPQJBFWDUBIHD-DGFSRKRXSA-N 324.348 -0.358 30 20 DBED O=C(Cn1cccn1)NC[C@@H]1CN(C(=O)C#CC2CC2)CCO1 1065134788 NNMXYTZIEFJIQM-CQSZACIVSA-N 316.361 -0.360 30 20 DBED Cc1nc[nH]c1CC(=O)N1CCO[C@H](CNC(=O)[C@@H](C)C#N)C1 1065411460 UBAFOVYMNAGHQA-CMPLNLGQSA-N 319.365 -0.236 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)CCc2cnc[nH]2)C1 1065559211 AMASSMWAJRPBLG-AAEUAGOBSA-N 319.365 -0.154 30 20 DBED CC(C)N(C)CC(=O)NC[C@H]1CN(C(=O)[C@H](C)C#N)CCO1 1065559373 CCJZIEJXCFYQID-OLZOCXBDSA-N 310.398 -0.170 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CCCN(C(=O)CC(=O)NC)CC1 1066170792 YAEXQPPEUBNJAR-CHWSQXEVSA-N 323.393 -0.342 30 20 DBED N#Cc1nccnc1N1CCOC[C@@H]1CNC(=O)[C@H]1CCOC1 1066469887 IETYVFMRMFNAAA-RYUDHWBXSA-N 317.349 -0.294 30 20 DBED C=C(C)CN1C[C@H](n2ccnn2)[C@H](NC(=O)c2nc[nH]n2)C1 1070055583 DYAPTMSEBRYAQI-MNOVXSKESA-N 302.342 -0.372 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)CCCC(N)=O)CCOCC1 1070158022 UJQSFAZXQHRCDB-NSHDSACASA-N 324.381 -0.417 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)[C@@H](C)CC(N)=O)CCOCC1 1070186479 ZRICMBILBRGNCL-QWRGUYRKSA-N 324.381 -0.561 30 20 DBED N#CCN1CCOC[C@H]1c1n[nH]c(CNC(=O)[C@H]2CCCO2)n1 1070579117 WNCAMTPMSNRTJR-WDEREUQCSA-N 320.353 -0.503 30 20 DBED Cn1cncc1[C@@H]1CN(C(=O)c2ccncn2)C[C@H]1NCC#N 1070701889 BKTGBINJXNQRIO-DGCLKSJQSA-N 311.349 -0.069 30 20 DBED CC#CCN1C[C@@H](NC(=O)CN2CCNC(=O)C2)CC[C@H]1C 1071739800 YLSJRHZEHROBEP-KGLIPLIRSA-N 306.410 -0.589 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](NC(=O)c2ccco2)[C@H](C)C1 1071922074 OPVNTVNQDAZTSJ-VXGBXAGGSA-N 317.345 -0.004 30 20 DBED C#CCOCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)Cc2cc[nH]n2)C1 1072098101 WLKXUDIEVJKIOB-OCCSQVGLSA-N 318.377 -0.045 30 20 DBED C[C@@H]1CN(C(=O)C(N)=O)C[C@@H]1NC(=O)CC#Cc1ccccc1 1072641074 KFHOEXXBIAMTDZ-OCCSQVGLSA-N 313.357 -0.123 30 20 DBED CC#CCN1CCC2(C1)CN(C(=O)Cn1ncn(C)c1=O)C2 1072881532 ZFDBBPQQMIOXDO-UHFFFAOYSA-N 303.366 -0.861 30 20 DBED C#CCOCCC(=O)NC1(C)CCN(C(=O)CC(N)=O)CC1 1072915557 GBWYBEBDWGGEBX-UHFFFAOYSA-N 309.366 -0.601 30 20 DBED N#CCN1CCC2(C1)CN(C(=O)c1cn([C@H]3CCOC3)nn1)C2 1073110411 BDTQXKUJXAZXIB-LBPRGKRZSA-N 316.365 -0.089 30 20 DBED CC1(NC(=O)C#CC2CC2)CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 1073225085 WLMKVWUOYHHUPF-LBPRGKRZSA-N 318.377 -0.422 30 20 DBED C=CCN1CCO[C@@H]2CCN(C(=O)C3CS(=O)(=O)C3)C[C@@H]21 1074248313 DHEZUTWQBPTFFT-QWHCGFSZSA-N 314.407 -0.481 30 20 DBED N#CCN1CCO[C@@H]2CCN(C(=O)CN3CCCNC3=O)C[C@@H]21 1074284326 NNVKQZCMACXVMN-QWHCGFSZSA-N 321.381 -0.773 30 20 DBED C=CCOCC(=O)NCC[C@H](C)NC(=O)CCNC(=O)NC 1075917967 QFMFXVVXYYKJKW-NSHDSACASA-N 314.386 -0.481 30 20 DBED C=CCCN1C[C@@H](O)[C@H](NC(=O)C2(N3CCOCC3)CCC2)C1 1077917798 MMXOJPOYGJFFAI-HUUCEWRRSA-N 323.437 -0.021 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)c2nccn3cc(C)nc23)C1 1077961412 LVYFONRFXINAJR-CHWSQXEVSA-N 313.361 -0.164 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCN2C(=O)CCC)C1 1078222433 AUTCTACNBMBXPL-RBSFLKMASA-N 321.421 -0.038 30 20 DBED C=CCO[C@H](C)C(=O)N1CC(N(CC)C(=O)c2nnn(C)n2)C1 1080272326 CIFMUENZIPDBIG-SNVBAGLBSA-N 322.369 -0.526 30 20 DBED C=CCOCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2ncoc2C)C1 1081312287 AHZIKRXJTXJEQK-NEPJUHHUSA-N 323.349 -0.265 30 20 DBED C=C(C)CCC(=O)N1C[C@H](CNC(=O)c2cnnn2C)[C@@H](O)C1 1081446581 BZKIEKLJPUZPQC-AAEUAGOBSA-N 321.381 -0.280 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)c2cncn2C)C[C@@H]1O 1081465976 NNAOJZKTVQLSJF-JSGCOSHPSA-N 318.377 -0.371 30 20 DBED C=CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CCc2nncn2C1 1083283274 SDISDSZTTRQPNR-HZSPNIEDSA-N 317.393 -0.062 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(Cc2cnon2)C[C@@H]1O 1083470680 GSKXUGLQEZGQTL-MQYQWHSLSA-N 322.365 -0.288 30 20 DBED C=CCN1CC[C@@H](N2CC[C@@H]2CN(C)C(=O)c2cnn[nH]2)C1=O 1085693084 YAWRVORNANBKNT-DGCLKSJQSA-N 318.381 -0.262 30 20 DBED Cn1cc([C@@H]2CN(C(=O)c3ccnn3C)C[C@H]2NCC#N)cn1 1086971098 WZSFYLRXVWGOLG-QWHCGFSZSA-N 313.365 -0.125 30 20 DBED C=CCN1CC[C@@H]2CN(C(=O)CN3CCOCC3=O)C[C@@H]2C1 1087995511 PEKAFQXIAVJZCO-KGLIPLIRSA-N 307.394 -0.189 30 20 DBED C=CCCN1CC[C@@H](NC(=O)c2cn(CCOC)nn2)[C@@H](O)C1 1090259439 UMMQOYFWUKQKFI-OCCSQVGLSA-N 323.397 -0.334 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2cn3c(n2)COCC3)[C@H](O)C1 1090360022 IOFLNBLHUPUURA-DGCLKSJQSA-N 304.350 -0.789 30 20 DBED C=CCN1CC[C@@H](NC(=O)c2cc(C(N)=O)cn2C)[C@H](O)C1 1090399128 LMTXWVDARYJZHQ-DGCLKSJQSA-N 306.366 -0.525 30 20 DBED C#CCCN1CC[C@@H](NC(=O)c2cnc(OC)nc2)[C@H](O)C1 1090699229 VOUHZYILXMCDHB-CHWSQXEVSA-N 304.350 -0.327 30 20 DBED C#CCNC1CC(CNC(=O)C2CC3(C2)CS(=O)(=O)C3)C1 1091097556 RUKUSTHCNTWFLP-UHFFFAOYSA-N 310.419 -0.071 30 20 DBED Cc1cc(=N[C@H]2C[C@H](CNC(=O)CC(N)=O)C2)c(C#N)c[nH]1 1091443214 SYQYHUUXKNJFRI-UMSPYCQHSA-N 301.350 -0.134 30 20 DBED COCCCC(=O)N[C@H]1CCN(c2nccnc2C#N)C[C@H]1O 1092137364 LSZANMUPWKVSFJ-WCQYABFASA-N 319.365 -0.169 30 20 DBED C=CCO[C@H](C)C(=O)N1CCN(c2ccc3nnnn3n2)CC1 1093161319 URIOXKGDLMBNKV-LLVKDONJSA-N 317.353 -0.241 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@@H]2CN(c3cc(C)ncn3)C[C@@H]12 1093265638 JKHQGKDHZYSHFD-VXGBXAGGSA-N 313.361 -0.525 30 20 DBED Cc1cc(=NCCNC(=O)C2CS(=O)(=O)C2)c(C#N)c[nH]1 1093910024 RPZNSRMDLKUPDI-UHFFFAOYSA-N 308.363 -0.744 30 20 DBED N#Cc1ccc(NCCNC(=O)[C@H]2CCS(=O)(=O)C2)cn1 1093977676 ISECMZUVJFUNCY-JTQLQIEISA-N 308.363 -0.084 30 20 DBED C[C@H]1OCC[C@@H]1C(=O)NCc1cn(C2CN(CC#N)C2)nn1 1094330420 IOYDNJIPBBBOEU-MFKMUULPSA-N 304.354 -0.300 30 20 DBED CN1CCOC[C@H]1C(=O)NCCCNc1cncc(C#N)n1 1094395951 XTZYZNCRIZZKCG-LBPRGKRZSA-N 304.354 -0.403 30 20 DBED N#Cc1ccc(NCCCNC(=O)[C@H]2CCCNC2=O)nn1 1094628238 NPZZUASVFQVIQH-NSHDSACASA-N 302.338 -0.207 30 20 DBED CC[C@@H]1CCO[C@@H]1C(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1 1094746115 RERARZDGYFRCOZ-XUJVJEKNSA-N 320.393 -0.274 30 20 DBED CS(=O)(=O)CCC(=O)NCCCN=c1cc[nH]cc1C#N 1094877626 VOIGXRKPRKLOQS-UHFFFAOYSA-N 310.379 -0.272 30 20 DBED COC[C@H](OC)C(=O)N1CCC(N=c2cc[nH]c(C#N)n2)CC1 1095248839 XNWXWJNZQXRQSO-LBPRGKRZSA-N 319.365 -0.166 30 20 DBED CNC(=O)NCC(=O)N1CCC[C@@H](Nc2cncc(C#N)n2)C1 1095330213 LQALMCXQGKJPAZ-SNVBAGLBSA-N 317.353 -0.320 30 20 DBED CCC(=O)N[C@H](C)C(=O)N[C@H]1CCN(c2nccnc2C#N)C1 1096495804 SRHWLUURQJCEDH-MNOVXSKESA-N 316.365 -0.042 30 20 DBED C[C@@H](CC(=O)N1CC[C@H](N=c2cc[nH]cc2C#N)C1)NC(N)=O 1096961225 RVQDDLJFCPNZTP-JQWIXIFHSA-N 316.365 -0.165 30 20 DBED C[C@H](CNC(=O)[C@H]1CCCS1(=O)=O)Nc1ccc(C#N)nn1 1097883869 SEXLSKGCNPGKEN-MWLCHTKSSA-N 323.378 -0.158 30 20 DBED C[C@H](CNC(=O)[C@]1(C)CNC(=O)C1)Nc1nccnc1C#N 1098153375 QPTBFCOKHQXJCY-OTYXRUKQSA-N 302.338 -0.209 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCC(=O)N1C)Nc1cncc(C#N)n1 1098231123 XRJAEIITBIMUQU-GXSJLCMTSA-N 302.338 -0.114 30 20 DBED C[C@@H](CCNC(=O)[C@H]1CN(C)CCO1)Nc1cnc(C#N)cn1 1098999262 VWZIFNGLXRORQV-WCQYABFASA-N 318.381 -0.014 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)C2CCCC2)[C@H](O)C1 1099611733 WOSAKMKBXJKZRR-ZIAGYGMSSA-N 307.394 -0.523 30 20 DBED C[C@H](CCNC(=O)[C@H]1CNC(=O)N1)N=c1cc[nH]cc1C#N 1099683032 UBRSZTUVPZRNON-BXKDBHETSA-N 302.338 -0.637 30 20 DBED C=CCCC(=O)N[C@H]1CCN(CCN2C(=O)CNC2=O)C[C@@H]1O 1099723403 HFOZFNOSTCMQQS-RYUDHWBXSA-N 324.381 -0.944 30 20 DBED C=CCOCC(=O)N[C@@H]1CCN(Cc2cn(CC)nn2)C[C@@H]1O 1099738095 IMCKAHSGUUXMLC-KGLIPLIRSA-N 323.397 -0.448 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)c2n[nH]cc2F)[C@@H](O)C1 1099992322 XOFJXARRUMSJTC-RYUDHWBXSA-N 312.345 -0.084 30 20 DBED C=CCCN1CC[C@@H](NC(=O)CCCS(C)(=O)=O)[C@H](O)C1 1100031260 BZZSDNWHOWZECH-CHWSQXEVSA-N 318.439 -0.061 30 20 DBED C=CCN1CC[C@@H](NC(=O)C(=O)NCC(F)(F)F)[C@@H](O)C1 1100056092 OQOXZBSDOCKMTB-BDAKNGLRSA-N 309.288 -0.598 30 20 DBED COCCCn1cc(C(=O)N[C@H]2CCN(CC#N)C[C@H]2O)cn1 1100068809 BBTURPYUIFTHRF-UONOGXRCSA-N 321.381 -0.392 30 20 DBED C#CCN1CC[C@@H](NC(=O)CCCC(=O)NC(C)C)[C@H](O)C1 1100079379 YPBONRJRWSIFMA-ZIAGYGMSSA-N 309.410 -0.134 30 20 DBED Cc1cc(=NCCN(C)C(=O)[C@@H]2COC(=O)N2)c(C#N)c[nH]1 1101572204 KWJWDHVRTGZIFW-LBPRGKRZSA-N 303.322 -0.338 30 20 DBED CN(CCNc1cnc(C#N)cn1)C(=O)[C@H]1CC[C@H]1C(N)=O 1101893106 QXAQTCBBENCLIY-MNOVXSKESA-N 302.338 -0.270 30 20 DBED N#Cc1ccc(N2[C@H]3CC[C@H]2CN(C(=O)CNC(N)=O)C3)nc1 1102183773 BMADIOSXPIMHKI-RYUDHWBXSA-N 314.349 -0.199 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CCN(c2nccn3nnnc23)C1 1102701948 LHKAYDUXYWSCLP-ZJUUUORDSA-N 300.326 -0.284 30 20 DBED CNC(=O)NCC(=O)N(C)[C@@H]1CCN(c2ccncc2C#N)C1 1102766674 HBHBBLCZBHSYDJ-GFCCVEGCSA-N 316.365 -0.081 30 20 DBED CC[C@H](CNC(=O)Cn1cnnn1)Nc1cncc(C#N)n1 1102968695 KFXSQNPFPJAXPK-SECBINFHSA-N 301.314 -0.658 30 20 DBED CC[C@H](CNC(=O)CNC(=O)C1CC1)N=c1cc[nH]c(C#N)n1 1102995771 HWMMGPIGOZWFMW-LLVKDONJSA-N 316.365 -0.397 30 20 DBED C[C@H](CNc1cnc(C#N)cn1)N(C)C(=O)[C@@H]1CNC(=O)N1 1104784634 IDKDRYSJZVKDSB-SCZZXKLOSA-N 303.326 -0.712 30 20 DBED C=CCNCc1cn(C2CN(C(=O)CCCCC(N)=O)C2)nn1 1105358213 TZUKZKBGGXSTFJ-UHFFFAOYSA-N 320.397 -0.017 30 20 DBED CN(CCN(C)c1nccnc1C#N)C(=O)[C@H]1CCC(=O)NC1 1105599899 SFZZDNOSNTXNKI-NSHDSACASA-N 316.365 -0.231 30 20 DBED Cc1cnc(C(=O)NC[C@@H](O)CNc2ccc(C#N)nn2)cn1 1105710289 ZEMNFJNYTDBKHC-NSHDSACASA-N 313.321 -0.351 30 20 DBED CCCC(=O)NCC(=O)NC[C@@H](O)CNc1ccc(C#N)nn1 1105728153 VBJOZYAXXIZXJG-NSHDSACASA-N 320.353 -0.846 30 20 DBED Cn1nccc1C(=O)NC[C@H](O)CNc1cnc(C#N)cn1 1105739786 OWOWQHCPKHROKS-SNVBAGLBSA-N 301.310 -0.715 30 20 DBED CCNC(=O)CCC(=O)NC[C@@H](O)CNc1cnc(C#N)cn1 1105747190 XTKMZPXDWGEHDP-NSHDSACASA-N 320.353 -0.846 30 20 DBED Cc1cc(C#N)nc(NC[C@H](O)CNC(=O)c2cn(C)cn2)n1 1105793172 XFFGHLWRFOYMOB-LLVKDONJSA-N 315.337 -0.407 30 20 DBED Cc1nc[nH]c1C(=O)NC[C@H](O)CNc1cncc(C#N)n1 1105887811 HZTDIXAAUTUAGY-SNVBAGLBSA-N 301.310 -0.417 30 20 DBED Cc1cc(C#N)nc(NC[C@H](O)CNC(=O)c2ccncn2)n1 1105931377 OVOXRXIDSZZIEC-LLVKDONJSA-N 313.321 -0.351 30 20 DBED CN(C)[C@@H](C(=O)NC[C@H](O)CNc1cncc(C#N)n1)C1CC1 1105995266 QUANZLGHNYQSIO-TZMCWYRMSA-N 318.381 -0.423 30 20 DBED CCC[C@@H](OC)C(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1 1106040617 ZPDUPKZRSHFSMQ-WDEREUQCSA-N 307.354 -0.526 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](O)CN=c1cc[nH]cc1C#N 1106125104 LFYJVIPMRCNKOY-GUTXKFCHSA-N 316.361 -0.145 30 20 DBED CN1C[C@H](C(=O)NC[C@H](O)CNc2ncccc2C#N)CC1=O 1106143851 KLPWWVJLLJVMNF-VXGBXAGGSA-N 317.349 -0.679 30 20 DBED C[C@]1(CNC(=O)c2ccc(C(N)=O)o2)CN(CC#N)CCO1 1108063940 ZAXZWFJZTGESLP-AWEZNQCLSA-N 306.322 -0.277 30 20 DBED Cc1cc(=NC[C@H](C)NC(=O)Cn2cnnc2O)c(C#N)c[nH]1 1108315476 LVSQKSGOQHRPTM-JTQLQIEISA-N 315.337 -0.403 30 20 DBED N#CCN1CC(N2C[C@H](NC(=O)COCC3CC3)CC2=O)C1 1108513269 FOEZINQHRDJWQE-GFCCVEGCSA-N 306.366 -0.662 30 20 DBED C[C@@H](CN=c1cc[nH]cc1C#N)NC(=O)[C@@]1(C)CNC(=O)C1 1108610737 MYVLOKAGEMBTHI-ZUZCIYMTSA-N 301.350 -0.182 30 20 DBED COCC(=O)NCCC(=O)N1C[C@H]2C[C@H](NCC#N)C[C@H]1C2 1108699856 OAJYRBJCUPDWSU-RWMBFGLXSA-N 308.382 -0.368 30 20 DBED N#Cc1nccc(N2CC[C@@](O)(CNC(=O)c3cocn3)C2)n1 1111040138 YHXZJFAGMLVTJD-CQSZACIVSA-N 314.305 -0.293 30 20 DBED N#Cc1ccc(N2CC[C@](O)(CNC(=O)c3nc[nH]n3)C2)nc1 1111088587 AGWOPWOYUWYUIR-AWEZNQCLSA-N 313.321 -0.557 30 20 DBED CN(CCCN(C)c1ncccc1C#N)C(=O)Cn1ncnn1 1112131722 PRNUSDHTRZQSTD-UHFFFAOYSA-N 314.353 -0.075 30 20 DBED Cc1cc(=N[C@@H]2CN(C(=O)CNC(N)=O)C[C@@H]2C)c(C#N)c[nH]1 1112306222 AUTDYTHNKAWKNS-TVQRCGJNSA-N 316.365 -0.389 30 20 DBED Cc1cc(N2C[C@@H](O)[C@H](CNC(=O)CC(N)=O)C2)c(C#N)cn1 1112725677 OTLZXXOFWRZARA-DGCLKSJQSA-N 317.349 -0.950 30 20 DBED COCC#CCN1CCN(C(=O)Cn2cc(C3CC3)nn2)CC1 1112961914 VTQPEZXHUCEYHY-UHFFFAOYSA-N 317.393 -0.051 30 20 DBED C[C@H](NC(=O)CCNC(N)=O)[C@H](C)Nc1cnc(C#N)cn1 1113038070 ABIIAMJDCTVDEP-IUCAKERBSA-N 305.342 -0.288 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)Cc2ccc(O)nc2)CC1 1113115405 CHQBOPVMIKNGOU-UHFFFAOYSA-N 317.349 -0.886 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)CCc2ncccn2)CC1 1113444280 YIMCJEZVOPSVAL-UHFFFAOYSA-N 316.365 -0.807 30 20 DBED COCC#CCN1C[C@@H]2C(NC(=O)c3nnn(C)c3C)[C@H]2C1 1114091398 VZKQLTJHLDLNJQ-RYUDHWBXSA-N 303.366 -0.567 30 20 DBED C#CCCCCC(=O)NC1[C@H]2CN(CC(=O)NC(N)=O)C[C@H]12 1114159217 BMCIXXBYMSGYCH-QWRGUYRKSA-N 306.366 -0.579 30 20 DBED C#CCCCCC(=O)NC1[C@@H]2CN(Cc3nnn(C)n3)C[C@@H]12 1114160496 ZIMXLOZLFJWWPY-VXGBXAGGSA-N 302.382 -0.050 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)CCOCC#C)[C@@H]2C1 1114262847 KYNIJSQEVRFKPU-BFHYXJOUSA-N 317.389 -0.789 30 20 DBED Cc1noc(C(=O)NC2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]23)c1C 1114445649 USNRMULWVQOTMA-GHMZBOCLSA-N 317.349 -0.409 30 20 DBED C=CCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@@H]3[C@H]4COC[C@H]43)[C@H]2C1 1114711547 WUYVSWKUAVHDNG-GQHARHJQSA-N 305.378 -0.773 30 20 DBED C=CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](NC(=O)CCCC(N)=O)[C@H]2C1 1115350309 QYVKZBWYNNOAKS-FJJYHAOUSA-N 322.409 -0.621 30 20 DBED C[C@@H](CN(C)C(=O)[C@H](C)NC(N)=O)Nc1cncc(C#N)n1 1115674786 PVACEGIAYQXQKP-IUCAKERBSA-N 305.342 -0.336 30 20 DBED C=CCN(C(=O)C(=O)Nc1cnn(CC(=O)NC)c1)C(C)C 1116722334 JDKJPXNSIWYEHL-UHFFFAOYSA-N 307.354 -0.009 30 20 DBED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1cc(C)cn(C)c1=O 1116921975 LEOYUZNBCXDMAR-LLVKDONJSA-N 305.334 -0.477 30 20 DBED Cn1nccc1C(=O)NC[C@H](CO)Nc1ccc(C#N)nc1 1121178652 WBODQPQPPSFLHO-GFCCVEGCSA-N 300.322 -0.110 30 20 DBED CN1CC[C@@H](C(=O)NC[C@H](CO)Nc2ncc(C#N)cc2F)C1 1121591710 VBRVVCZXUJKFMW-VXGBXAGGSA-N 321.356 -0.067 30 20 DBED CC(C)N(C)CC(=O)NC[C@@H](CO)Nc1ccc(C#N)nn1 1121667687 CRKPIDYCKFMIAF-LBPRGKRZSA-N 306.370 -0.423 30 20 DBED CCc1nc(C#N)cc(N[C@@H](CO)CNC(=O)c2cnn[nH]2)n1 1122879845 GXLIRZOCKJEWQK-SECBINFHSA-N 316.325 -0.768 30 20 DBED CCOCC(=O)N(C)C[C@@H](O)CNc1nc(C)cc(C#N)n1 1124072422 RNLMTUWPEVTBPX-LBPRGKRZSA-N 307.354 -0.076 30 20 DBED CC[C@@H](C(=O)N(C)C[C@H](O)CNc1cnc(C#N)cn1)N(C)C 1124455986 RZSYQRIUKNZOOO-OLZOCXBDSA-N 320.397 -0.080 30 20 DBED N#Cc1c[nH]c(C(=O)NCCNCC(=O)NC[C@@H]2CCOC2)c1 1125370977 ZYLMQSDXKBXQKR-NSHDSACASA-N 319.365 -0.642 30 20 DBED C#CCNC(=O)CC(=O)NCCNCc1cnn(C(C)(C)C)c1 1125998648 SFMLKKDECOGDDQ-UHFFFAOYSA-N 319.409 -0.017 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@H](n2ccnn2)[C@H](NC(=O)CC)C1 1128602876 ZXRHTZVBLVENQW-UPJWGTAASA-N 318.381 -0.833 30 20 DBED CO[C@H]1CCC[C@H](CC(=O)NCCNCC(=O)NCC#N)C1 1129143059 OGVQRZLFJNYGQI-STQMWFEESA-N 310.398 -0.073 30 20 DBED COCC#CCNCCNC(=O)[C@H]1COCCN1CC(F)F 1131826120 XABOPBGEHFOAPR-GFCCVEGCSA-N 319.352 -0.692 30 20 DBED C#CCCN1C[C@@H](NC(=O)CCn2ncn(C)c2=O)CC[C@H]1C 1132199292 HHBJIOHZJQVEPW-KGLIPLIRSA-N 319.409 -0.036 30 20 DBED C[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)C[C@@H]1CNCC#N 1133305593 BUHBUWUMKUEOCT-QWRGUYRKSA-N 307.354 -0.864 30 20 DBED C[C@@H](C[C@@H](C)NC(=O)c1cn(C)cn1)NCC(=O)NCC#N 1134098628 DMGIYSDUKGJTJG-WDEREUQCSA-N 306.370 -0.454 30 20 DBED C[C@@H](C[C@@H](C)NCC(=O)NC(N)=O)NC(=O)c1c[nH]c(C#N)c1 1134138327 GIWWUBRBROULSL-BDAKNGLRSA-N 320.353 -0.432 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)[C@@H](C)OCCOC)C1=O 1134663656 QGEPVJZUELWXJO-OLZOCXBDSA-N 313.398 -0.469 30 20 DBED C=CCCn1cc(C(=O)NCCNCc2cnnn2CC)nn1 1135071375 FKHOUFVMRYFWKX-UHFFFAOYSA-N 318.385 -0.015 30 20 DBED CC(C)Oc1cc(C(=O)NCCNCC(=O)NCC#N)ccn1 1147533387 JQNMMCVLBKZLML-UHFFFAOYSA-N 319.365 -0.172 30 20 DBED C=CCNC(=O)CN1CCC2(C1)CN(C(=O)C1(C(N)=O)CC1)C2 1148181059 JUDPBRJVYLPUQG-UHFFFAOYSA-N 320.393 -0.912 30 20 DBED C#CCNC(=O)CN1CCCO[C@@H](CNC(=O)c2ccoc2)C1 1149154148 QSXMOAATOAUDEP-AWEZNQCLSA-N 319.361 -0.150 30 20 DBED C=CCOCCNCCNC(=O)CNS(=O)(=O)CCCC 1149173165 PQZVNBDKSHXDGK-UHFFFAOYSA-N 321.443 -0.386 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@@H]1CCCN1C(=O)C(C)C 1151456622 PVZYKEGMLXRLMN-ZDUSSCGKSA-N 324.425 -0.359 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)NCCN[C@@H](C)COC 1152404876 OXEWACAKFNBNAN-NSHDSACASA-N 300.403 -0.009 30 20 DBED C=CCNC(=O)NC(=O)CNCCCNC(=O)Cc1ccon1 1156006245 LLTYIKITIKMVGD-UHFFFAOYSA-N 323.353 -0.675 30 20 DBED C#CCNC(=O)CNCC1(CCNC(=O)Cc2ccon2)CC1 1163894784 GHCYKJLJBPCKFQ-UHFFFAOYSA-N 318.377 -0.157 30 20 DBED N#Cc1ccc(F)cc1CNCCCNC(=O)[C@@H]1CNC(=O)N1 1165465935 BOMXDSMDNKXBJD-ZDUSSCGKSA-N 319.340 -0.025 30 20 DBED C=C(Cl)CNCCCNC(=O)C[C@H](NC(C)=O)C(N)=O 1167704073 XWPFQDJMJBCCCJ-JTQLQIEISA-N 304.778 -0.785 30 20 DBED COCC#CCNCCCNC(=O)[C@]1(C)CCCS1(=O)=O 1168119691 NBNZTYARQVQJFD-AWEZNQCLSA-N 316.423 -0.301 30 20 DBED C[C@H](CCCCNCC(=O)NCC#N)NC(=O)[C@@H]1CCCN1C 1169798433 PBNFMJDFJWKCMO-KGLIPLIRSA-N 323.441 -0.015 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1ccc2nccn2c1 1170868526 UPXDUEANVSNURB-UHFFFAOYSA-N 313.361 -0.207 30 20 DBED C=CCNC(=O)CNCCCNC(=O)C(=O)Nc1cc(C)on1 1175991387 WOSHZLDBFXBSDY-UHFFFAOYSA-N 323.353 -0.680 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)c2cn(C)cn2)[C@H]1C 1178467433 IWITUUBMUUXSGW-RYUDHWBXSA-N 303.366 -0.638 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)CCOCC(C)C)C1 1181185063 KGKCCBDMMRZSFW-CQSZACIVSA-N 309.410 -0.011 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](CNCC(=O)NC)[C@H](C)C1 1184388294 WFDLPTDXJPTPFZ-KGLIPLIRSA-N 309.410 -0.154 30 20 DBED C=CCOCCN1C[C@@H]2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)[C@@H]2C1 1189136416 XMUUAYLQPGDWAT-RFQIPJPRSA-N 307.394 -0.157 30 20 DBED CCc1nnc(CN2C[C@@H](O)[C@H](NC(=O)[C@@H](C)C#N)C2)n1C 1191854633 PMJAACCSTLEWSA-HBNTYKKESA-N 306.370 -0.802 30 20 DBED CC(C)NC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 1192298401 QBVWGIYSZJAAIN-CHWSQXEVSA-N 319.365 -0.814 30 20 DBED C[C@H]1CCN(CC(=O)N2CC[C@H](N(C)CC(=O)NCC#N)C2)C1 1192353608 FUDRFKWWSBEZNG-KBPBESRZSA-N 321.425 -0.499 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)C(=O)Nc2ccc(Cl)cc2)C1 1194494224 WVXCXXIVWAWVKL-VXGBXAGGSA-N 322.752 -0.037 30 20 DBED CN(CC#N)[C@@H]1CCN(C(=O)CCNC(=O)[C@H]2CCCO2)C1 1194494681 WYRVWRUNAYSVTH-CHWSQXEVSA-N 308.382 -0.272 30 20 DBED C=C(C)C[C@H](C)C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[nH]2)C[C@H]1O 1195531697 HRWIUMHMYAUOLD-QJPTWQEYSA-N 323.397 -0.628 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCCN(C(=O)[C@@]23COC[C@@H]2C3)CC1 1195900010 GSGJKPWGLMQUJV-KEYYUXOJSA-N 319.405 -0.305 30 20 DBED CC(=O)N1CCC(CCC(=O)N[C@@H]2CN(CC#N)C[C@H]2O)CC1 1198870506 MHPZDLZHWYLKPA-HUUCEWRRSA-N 322.409 -0.290 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)C(C)(C)NC(=O)NCC=C)C1 1199080769 CGJONLQSYMKYSF-CHWSQXEVSA-N 322.409 -0.565 30 20 DBED COCC#CCNC[C@H]1CN(C(=O)C2=COCCO2)CCCO1 1199744151 JRBYXRWOGGWCTJ-AWEZNQCLSA-N 324.377 -0.269 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)[C@H]2CC(=O)N(C)C2)CC1 1200851532 WHAKKNIJKNVACU-LBPRGKRZSA-N 322.409 -0.653 30 20 DBED CC(C)NC(=O)CN(C)CC(=O)N1CCC(NCC#N)CC1 1201440651 ACKWGOAFDZZXDB-UHFFFAOYSA-N 309.414 -0.453 30 20 DBED CC[C@@H]1C[C@H]1C(=O)N1CCCO[C@@H](CNCC(=O)NCC#N)C1 1201448887 XISIUODYMPRAPO-HZSPNIEDSA-N 322.409 -0.121 30 20 DBED C=C(C)CNC[C@H]1CN(C(=O)C2CC(=O)NC(=O)C2)CCCO1 1201622672 XGTIJHSMTXFGRX-ZDUSSCGKSA-N 323.393 -0.178 30 20 DBED CN1CCCC[C@@H](C(=O)N2CCCO[C@H](CNCC#N)C2)C1=O 1201857700 XARFDMQSPGVJJH-ZIAGYGMSSA-N 322.409 -0.024 30 20 DBED C#CCNC[C@H]1CN(C(=O)Cn2ccccc2=O)CCCO1 1202021102 GKTXZDSETGAKPZ-AWEZNQCLSA-N 303.362 -0.311 30 20 DBED CC#CCNCC1CCN(C(=O)[C@H](C)NC(=O)COC)CC1 1205381324 JGHRTBSBOYVLIE-ZDUSSCGKSA-N 309.410 -0.011 30 20 DBED C[C@H]1OCC[C@@H]1C(=O)N1CCC(CNCC(=O)NCC#N)CC1 1206688114 JOBRPWAHKJUYRE-OCCSQVGLSA-N 322.409 -0.121 30 20 DBED Cc1ccn(CC(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@H]2C)n1 1208692114 UFSBPPWHGIZLSM-DGCLKSJQSA-N 318.381 -0.732 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1209110573 BSVOHEFEUBHHJP-CXTNEJHOSA-N 305.378 -0.791 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)Cc2ncc[nH]2)C1 1210304272 NCULIWBZVVNXOD-GFCCVEGCSA-N 303.366 -0.718 30 20 DBED C=C(Cl)CN1C[C@@H](NC(=O)CS(C)(=O)=O)[C@H](OC)C1 1211970238 QEPZCGQEDFLVJN-NXEZZACHSA-N 310.803 -0.401 30 20 DBED C#CCN1C[C@@H](NC(=O)CCCNC(=O)C2CC2)[C@H](OC)C1 1212365595 AYWURNQCLPEEFG-ZIAGYGMSSA-N 307.394 -0.259 30 20 DBED C#CCN1C[C@@H](NC(=O)CC[C@@]2(C)CCC(=O)N2)[C@H](OC)C1 1214005269 NFANVPWJSUUZKF-IOASZLSFSA-N 307.394 -0.116 30 20 DBED C=CCCC(=O)N1C[C@@H](NCCNS(C)(=O)=O)[C@H](C)C1 1214305861 NWKHTPIGAPCTAI-VXGBXAGGSA-N 303.428 -0.062 30 20 DBED C[C@@H]1CN(C(=O)COCC(F)F)C[C@H]1NCC(=O)NCC#N 1215217673 RLZQSGHNJBRJAT-NXEZZACHSA-N 318.324 -0.656 30 20 DBED C=CCCO[C@H](C)C(=O)N[C@@H]1CN(Cc2nncn2C)C[C@@H]1O 1219322018 LOIZSYNMWPPSKX-UPJWGTAASA-N 323.397 -0.542 30 20 DBED CCCCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)C#CC2CC2)C1 1219596389 SHGHFWDHFPOEHK-CFVMTHIKSA-N 321.421 -0.134 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@]2(C)C=CCC2)C1 1220144465 GOKPMAGWXOWBCA-WWGRRREGSA-N 305.378 -0.747 30 20 DBED C=CCC[C@@H](C)N1C[C@H](O)[C@H](NC(=O)c2ccc(=O)n(C)n2)C1 1220919956 KWQHLWBBSKBACD-BNOWGMLFSA-N 320.393 -0.090 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)COC(C)C)[C@@H]2C1 1221403044 IHDJQBFFHVHABT-ZIAGYGMSSA-N 307.394 -0.307 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@H]2CCN(Cc3nnn(C)n3)C[C@H]21 1221539328 VSJLVSMATZFKLD-YNEHKIRRSA-N 318.381 -0.719 30 20 DBED C#CCN1CC[C@@H]2CN(C(=O)CNC(=O)C3CCOCC3)[C@@H]2C1 1221877903 PSAHDEJZMWAAFE-HUUCEWRRSA-N 319.405 -0.305 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC(CNC(=O)COCC)CC1 1222302961 QTTPYAQBDURELQ-ZDUSSCGKSA-N 309.410 -0.011 30 20 DBED C#CCO[C@@H](C)C(=O)NC1CCN(CCN2CCNC2=O)CC1 1227342334 MPVDRVLVDDJHGD-ZDUSSCGKSA-N 322.409 -0.370 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)c1ccccn1 1230578102 GWRABHQFXPZFIX-ZDUSSCGKSA-N 300.362 -0.023 30 20 DBED CN(C[C@H]1CCN1CC(=O)NCC#N)C(=O)c1ccns1 1234614365 QNNWFADLCINOKI-SNVBAGLBSA-N 307.379 -0.071 30 20 DBED N#CC1(NC(=O)COC(=O)CN2CCC(=O)NC2=O)CCC1 1258254735 CSUUNMODSZBWJN-UHFFFAOYSA-N 308.294 -0.966 30 20 DBED CN(C[C@@H]1CCCC[C@@H]1O)C(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1261485902 MPLQOHWWEQHJPO-XEZPLFJOSA-N 323.393 -0.127 30 20 DBED CNC(=O)[C@@H](C#N)C(=O)c1ccc(S(=O)(=O)N(C)C)nc1 1263292684 OZPWXGXVBFXXIV-VIFPVBQESA-N 310.335 -0.600 30 20 DBED O=C(C#CC1CC1)N[C@H]1CCCN([C@@H]2CCC(=O)NC2=O)C1 1266217907 IWLAEPNBSKHBEO-QWHCGFSZSA-N 303.362 -0.214 30 20 DBED C[C@H]1CCCN1CCNC(=O)C(=O)Nc1cnn(CC#N)c1 1319560267 ZQMUYISXVINJSF-NSHDSACASA-N 304.354 -0.054 30 20 DBED C#C[C@H](NC(=O)C(=O)NC[C@@H]1COC(C)(C)O1)[C@H]1CCCO1 1323553983 BJFAFCHFBXBUID-GRYCIOLGSA-N 310.350 -0.449 30 20 DBED CO[C@@]1(CNC(=O)C(=O)Nc2ccn(CCC#N)n2)CCOC1 1323954118 WWHIDEUSMVPEKY-CQSZACIVSA-N 321.337 -0.343 30 20 DBED C[C@@H](O)C[C@H]1COCCN1C(=O)C(=O)N(C)CC(C)(C)C#N 1325114324 GKEXIGVSGANXSW-NEPJUHHUSA-N 311.382 -0.007 30 20 DBED C=CCn1cc(CN2C(=O)N[C@H](CCC(=O)OC)C2=O)nn1 1326157154 VXEFYICKUDHNSX-SNVBAGLBSA-N 307.310 -0.162 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N1CCN(C(=O)N(C)C)CC1 1328411133 AEJAXOPHKXXSNE-UHFFFAOYSA-N 318.377 -0.703 30 20 DBED N#Cc1cc(CN2CCOCC2)cn(CCOCCO)c1=O 1328501955 MITVHQSIEJRHSK-UHFFFAOYSA-N 307.350 -0.439 30 20 DBED CN(C(=O)C(=O)NCCc1ccc(C#N)cc1)[C@H]1CCNC1=O 1330427797 XBLMXQHFHMPLEP-ZDUSSCGKSA-N 314.345 -0.436 30 20 DBED C[C@@H](NC(=O)C(=O)NCCCCC#N)c1nnnn1C1CC1 1331014141 OQSKAVMIQIFOBN-SECBINFHSA-N 305.342 -0.005 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCO[C@H](C(F)F)C1)[C@H]1CCCO1 1336149841 JVHJCBNSTULSFA-AXFHLTTASA-N 316.304 -0.224 30 20 DBED Cn1cc(S(N)(=O)=O)cc1C(=O)NC1(C#N)CCOCC1 1344130364 ZWBGIQHRQZCGRY-UHFFFAOYSA-N 312.351 -0.525 30 20 DBED C=C(C)Cn1c(CCO)nnc1N(C)CCS(C)(=O)=O 1356166311 QXNGEEDDGBLNEE-UHFFFAOYSA-N 302.400 -0.130 30 20 DBED N#C[C@@H]1CN(C(=O)c2ccsc2S(N)(=O)=O)CCO1 1361913642 FHESVIPUJGMYNN-SSDOTTSWSA-N 301.349 -0.240 30 20 DBED CC[C@H](CNS(C)(=O)=O)NC(=O)C1(C#N)CCOCC1 1363266721 RQZDIDCGPWHNQI-SNVBAGLBSA-N 303.384 -0.249 30 20 DBED CN(CCCc1[nH]nc(N)c1C#N)C[C@@H](O)C[C@@]1(O)CCOC1 1363796912 ZHUJWRQKAKUAMJ-NHYWBVRUSA-N 323.397 -0.370 30 20 DBED CCN(CCC#N)C(=O)CN[C@@H](C)CNC(=O)c1ncn(C)n1 1371174281 VAVQORQHMGCPNL-NSHDSACASA-N 321.385 -0.715 30 20 DBED C[C@H](C#N)C(=O)NCc1ccc(CNCC(=O)NC(N)=O)cc1 1373930264 QMOMJZANOMSOTQ-SNVBAGLBSA-N 317.349 -0.253 30 20 DBED C[C@H](C#N)C(=O)NCC1CN(C(=O)c2ccc(C(N)=O)o2)C1 1374898577 JWJZKSOGHXRJNP-MRVPVSSYSA-N 304.306 -0.274 30 20 DBED CC[C@@H](C(=O)NC[C@H](O)CNC(=O)c1cc(C#N)c[nH]1)N(C)C 1376584012 XVRYRUJICGMDLH-YPMHNXCESA-N 321.381 -0.567 30 20 DBED C=C(Cl)CNC1(CNC(=O)CCS(=O)(=O)NC)CC1 1380087310 WKVYWKZZZYIVSD-UHFFFAOYSA-N 309.819 -0.083 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H](O)[C@H](NC(=O)CCCn2cccn2)C1 1384227438 SPASISYLSJPIIY-UPJWGTAASA-N 319.365 -0.489 30 20 DBED Cc1ncnc(O)c1CCC(=O)NC1CN(C(=O)[C@@H](C)C#N)C1 1387769111 XSUZTRZJUHRIGB-VIFPVBQESA-N 317.349 -0.090 30 20 DBED C[C@@H](C#N)C(=O)NC1CN(C(=O)c2cccc(C(N)=O)n2)C1 1389405766 POIOKIGAMDJJAH-QMMMGPOBSA-N 301.306 -0.719 30 20 DBED CNC(=O)NC(=O)[C@H](C)NCCN(C)C(=O)c1cc(C#N)c[nH]1 1400064882 ZPDGWQRGIGCGGX-VIFPVBQESA-N 320.353 -0.608 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CCN(C(=O)CN2CCCC2=O)C1 1408366885 LXCIHWBGVRSLQU-VXGBXAGGSA-N 306.366 -0.267 30 20 DBED CCOCc1nnc(N2CCO[C@H](C#N)C2)n1CC(=O)N(C)C 1411808118 LTKLOHUZSKDHNJ-LLVKDONJSA-N 322.369 -0.368 30 20 DBED C[C@H](C#N)C(=O)NCC1CN(C(=O)[C@@H]2CCS(=O)(=O)C2)C1 1416119027 HYTXWGPMPSWBBV-MWLCHTKSSA-N 313.379 -0.845 30 20 DBED C=C(Cl)CN1CCO[C@@H](CNC(=O)CCS(C)(=O)=O)C1 1421805946 XRZKSTMFLJUIHO-NSHDSACASA-N 324.830 -0.009 30 20 DBED C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCC[C@@H](C#N)C1 1422219002 UHKIRZXBPDPSRU-UWVGGRQHSA-N 319.365 -0.527 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCCC(=O)N1)NC(=O)c1c[nH]c(C#N)c1 1430613662 KAKKKWVMSUCCGO-JOYOIKCWSA-N 317.349 -0.210 30 20 DBED CC(C)Cn1ncnc1CNC[C@@H](O)CNC(=O)[C@H](C)C#N 1438986945 UCVSNKQPXRVCDZ-VXGBXAGGSA-N 308.386 -0.340 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CCC(=O)NC2)C1 1445921325 PJRMZFHYRIXDPE-KKOKHZNYSA-N 306.366 -0.317 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H]1CN(C)C(=O)CN1CCCNC1=O 1452860147 JMNMKUIUZPUYHU-NWDGAFQWSA-N 321.381 -0.379 30 20 DBED CN(CCNC(=O)c1cnc(O)n1C)C(=O)c1cc(C#N)c[nH]1 1455392287 UCQHHODMTFJJBK-UHFFFAOYSA-N 316.321 -0.173 30 20 DBED CCN(CCNC(=O)CNC(=O)N1CCCC1)C(=O)[C@@H](C)C#N 1496748051 ROKMULULJITSGR-LBPRGKRZSA-N 323.397 -0.084 30 20 DBED CCCN(CCNC(=O)CCNC(=O)NC)C(=O)[C@@H](C)C#N 1529538585 MUDMXUKSJNXQHZ-NSHDSACASA-N 311.386 -0.180 30 20 DBED C#C[C@@H](CO)NS(=O)(=O)c1ccc(F)cc1-c1nn[nH]n1 1588327017 ABJDBZKUGAQXPO-QMMMGPOBSA-N 311.298 -0.722 30 20 DBED C#CC[C@H]1NC(=O)N([C@H]2CCCCN(CC(=O)O)C2=O)C1=O 1588391179 CAPUDCDQKFYHEH-ZJUUUORDSA-N 307.306 -0.604 30 20 DBED C#CCNC(=O)CN1CC=C(CNC(=O)[C@@H]2C[C@@H]2C(=O)O)CC1 1588483639 GCOJWVNLAAHCJS-OLZOCXBDSA-N 319.361 -0.795 30 20 DBED C[C@@](C#N)(CC(=O)O)C(=O)NC[C@H]1CCCS(=O)(=O)C1 1588557742 LCKDHAOYONWDEA-SKDRFNHKSA-N 302.352 -0.068 30 20 DBED C=CC[C@H](OC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)C(=O)O 1588754255 WGFGBXMMOVCPSR-FGEFZZPRSA-N 308.290 -0.330 30 20 DBED C=CCNC(=O)CNC(=O)N1CC[C@H](n2cc(C(=O)O)nn2)C1 1588844732 QKUUVYKJIIQPEW-VIFPVBQESA-N 322.325 -0.765 30 20 DBED COC(=O)N1CC(Nc2cnc(-c3nn[nH]n3)c(C#N)n2)C1 1591272808 PJTASAXUSGUDTK-UHFFFAOYSA-N 301.270 -0.609 30 20 DBED Cn1cc(C#N)c(NS(=O)(=O)c2ccc(-c3nn[nH]n3)o2)n1 1592563565 UKRZRSXIULUUPN-UHFFFAOYSA-N 320.294 -0.134 30 20 DBED N#Cc1c(-c2nn[nH]n2)nc(N)n1C[C@@H]1C[C@H]2COC[C@H]2O1 1606355775 OGCAXGCLLDZTLE-ACLDMZEESA-N 302.298 -0.679 30 20 DBED N#Cc1cc(CS(=O)(=O)N2CC[C@@](O)(C(=O)O)C2)cs1 1608197440 ZGIINZOUXPPDJC-NSHDSACASA-N 316.360 -0.029 30 20 DBED CNC(=O)[C@H]1CN(c2nnc(C(C)(C)CC#N)n2C)CCO1 1647681059 YSSDBTDVHROWAD-SNVBAGLBSA-N 306.370 -0.042 30 20 DBED C#CCN(CCCNC(=O)CC[C@H]1NC(=O)NC1=O)C1CC1 1752284495 HSTRFDBEMNQZCL-GFCCVEGCSA-N 306.366 -0.422 30 20 DBED C#CCNC(=O)CN[C@@H](C)CNC(=O)c1ncc2n1CCCC2 1752920007 PQMRBKDGAYORCG-LBPRGKRZSA-N 317.393 -0.323 30 20 DBED C#CCNC(=O)[C@H](C)N1CC(NC(=O)Cn2cc(C)cn2)C1 1753371187 FFTMFYDFHAMWHE-LBPRGKRZSA-N 303.366 -0.870 30 20 DBED CC#CCNC[C@H](O)CNC(=O)[C@@H]1COc2ccccc2O1 1753935528 KPRXQNPZXBNFBB-WFASDCNBSA-N 304.346 -0.084 30 20 DBED N#CCNC(=O)CN1CC[C@@](O)(CNC(=O)CCC2CCC2)C1 1754750086 LOMOGZUUQRODQZ-MRXNPFEDSA-N 322.409 -0.241 30 20 DBED C#CCCN1CC[C@@](O)(CNC(=O)[C@@H]2CCCN(C(N)=O)C2)C1 1754752231 DMJMZCWDRFRTMF-CZUORRHYSA-N 322.409 -0.647 30 20 DBED CC#CCN1CCC(CO)(NC(=O)CCn2ccnn2)CC1 1755177679 YQQJQDNOZURPRI-UHFFFAOYSA-N 305.382 -0.365 30 20 DBED C#CCNC(=O)CN[C@@H](C)[C@H](C)NC(=O)CN1CCCCC1=O 1755242911 PTDMWTBRSUXZPJ-STQMWFEESA-N 322.409 -0.769 30 20 DBED C=CCn1cc(C(=O)N[C@H](C)[C@H](C)NCc2nc(O)n[nH]2)nn1 1755255329 FYDIVHAWJWGVBX-DTWKUNHWSA-N 320.357 -0.416 30 20 DBED CC(C)S(=O)(=O)CC(=O)N1CCO[C@@H]([C@H](C)NCC#N)C1 1755448283 QNGQVCYNDGQWRC-NWDGAFQWSA-N 317.411 -0.461 30 20 DBED Cc1nn(C)cc1C(=O)N[C@H](C)CCCNCC(=O)NCC#N 1755491593 NKZUHALMXSMDPG-LLVKDONJSA-N 320.397 -0.144 30 20 DBED Cc1nnc([C@H](C)N[C@@H](CO)CNC(=O)CSCC#N)o1 1755624229 OLNPNMZDMFIRLF-WCBMZHEXSA-N 313.383 -0.238 30 20 DBED CC#CCN[C@H](CO)CNC(=O)CC(=O)NCC(F)(F)F 1755644168 YFBNBQOOEKUZIQ-VIFPVBQESA-N 309.288 -0.855 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@H](CO)NC(=O)c1c[nH]nc1CC 1756515655 NLDDRBVOLWGSRT-ZUZCIYMTSA-N 324.381 -0.494 30 20 DBED C=CCCC(=O)N[C@H](CO)CNC(=O)c1ccc(C(N)=O)cn1 1756529563 CMLDBGGIJJZLAY-NSHDSACASA-N 320.349 -0.646 30 20 DBED CC#CCCCC(=O)N1C[C@H](O)[C@H](NC(=O)[C@H]2CCOC2)C1 1757160540 WSNLBEGYDSCVCJ-MJBXVCDLSA-N 308.378 -0.096 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(C(=O)CCc2cnn[nH]2)C[C@@H]1O 1757168781 HEOGDYPCZRFPMI-OLZOCXBDSA-N 319.365 -0.771 30 20 DBED C#CC(=O)N[C@@H]1CCc2nc(NC(=O)CNC(C)=O)sc2C1 1825170782 IEEUNKAQEFJNML-SECBINFHSA-N 320.374 -0.176 30 20 DBED CC[C@@H](C)[C@@H](N)C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846195092 AXNUSMHRQGZAPG-BXUZGUMPSA-N 321.377 -0.349 30 20 DBED N#Cc1ccsc1N1CC[C@H](N2CCO[C@H](C(N)=O)C2)C1=O 83169867 QTIPOAAAAYPXML-QWRGUYRKSA-N 320.374 -0.089 30 20 DBED C[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccc(F)c(C#N)c1 125332305 JTMABWOXLICIEW-MRVPVSSYSA-N 304.281 -0.017 30 20 DBED C#C[C@@H](OC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)C1CC1 152818638 BJPDALFXPVBCMO-SNVBAGLBSA-N 316.317 -0.611 30 20 DBED Cc1nc(C(=O)N2CCN(C(=O)[C@@H](C)O)CC2)ccc1C#N 179400640 VECDPDFLYFNRLU-LLVKDONJSA-N 302.334 -0.073 30 20 DBED C/N=C(/NCC(=O)N1CCCCC1)N1CCO[C@H](COC)C1 261935936 MBVGCVOEMNQPCG-ZDUSSCGKSA-N 312.414 -0.079 30 20 DBED CN1CCO[C@@H](C/N=C(/N)N2CCN(c3ncccn3)CC2)C1 262020097 XLDXVNLECRCXAV-ZDUSSCGKSA-N 319.413 -0.756 30 20 DBED CN1CCN/C1=N\Cc1ccc(C(=O)N2CCNC(=O)C2)cc1 262668397 PVGRXESXBBLMGP-UHFFFAOYSA-N 315.377 -0.350 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)c2ccc(C=O)[nH]2)CC1 267394122 NDQYVKQSPAAIKN-UHFFFAOYSA-N 316.361 -0.276 30 20 DBED Cn1c(N[C@@H]2CC(=O)N(C(C)(C)C)C2)c(C#N)c(=O)n(C)c1=O 267672621 OHNJQNZVGAHWHD-SECBINFHSA-N 319.365 -0.233 30 20 DBED COC(=O)[C@H](NS(=O)(=O)c1ccc(F)c(C#N)c1)[C@@H](C)O 274317448 CEZDJBGSKVVPAC-RDDDGLTNSA-N 316.310 -0.102 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H](CCN)C2)C1=O 281952871 MEGBYGAPJSVOGS-NSHDSACASA-N 322.365 -0.449 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCCOCC2CC2)C1=O 285876582 LNJXOMBPFWNQIV-CYBMUJFWSA-N 323.393 -0.226 30 20 DBED CC(C)[C@H]1C(=O)NCCN1C(=O)NCCn1cnc(C#N)n1 287796901 IGUIDZOLHPYOJM-NSHDSACASA-N 305.342 -0.684 30 20 DBED C[C@H](CNS(=O)(=O)c1cncc(C#N)c1)N1CCN(C)CC1 289504336 QHJNJMITFBETOV-GFCCVEGCSA-N 323.422 -0.133 30 20 DBED N#Cc1ccc(O[C@@H]2CCN(CCC(=O)NC(N)=O)C2)nc1 292267402 RWWUFUNFNDZFJW-LLVKDONJSA-N 303.322 -0.009 30 20 DBED CC1(C)CN(CC/N=C(/O)NCC2(CO)COC2)CCO1 328620054 WMPMOZMKVLMPLF-UHFFFAOYSA-N 301.387 -0.390 30 20 DBED C/N=C(/O)N1CCN(c2nnc(-c3cnn(C)c3)n2C)CC1 328716497 OXQUVNBGCGCQOJ-UHFFFAOYSA-N 304.358 -0.119 30 20 DBED O=C1CSCN1CC(=O)N1CC[C@H](N/C(O)=N/C2CC2)C1 329526140 RHVDEOVCFDQKSO-JTQLQIEISA-N 312.395 -0.214 30 20 DBED C[C@H]1CCN(C(=O)CNc2ccc(C#N)cn2)CCS1(=O)=O 330248612 GFXGWPKVTPYVTP-NSHDSACASA-N 322.390 0.401 30 20 DBED C[C@@H](CNS(=O)(=O)N(C)C[C@@H](C)C#N)N1CCN(C)CC1 330402302 VASKDIZHSNFLBN-STQMWFEESA-N 317.459 -0.452 30 20 DBED C[C@H]1COCCN1CCNS(=O)(=O)N(C)[C@H](C)CC#N 330410283 KSYOIKDHXCMUJF-NEPJUHHUSA-N 304.416 -0.225 30 20 DBED CS(=O)(=O)c1ccc(N/C(O)=N/C[C@]2(O)CCOC2)cn1 330459857 UKGKVRODFFTAIQ-GFCCVEGCSA-N 315.351 -0.038 30 20 DBED CN1CC[C@@H](/N=C(/O)c2csc(S(N)(=O)=O)c2)C1=O 330823630 FJCXSWSHOGJBOD-SSDOTTSWSA-N 303.365 -0.069 30 20 DBED CCN(C)C(=O)C/N=C(/O)N1CCO[C@@H](c2n[nH]c(C)n2)C1 331180064 REWYCOMHYHFQHN-SNVBAGLBSA-N 310.358 -0.121 30 20 DBED Cc1onc(CC(=O)NC[C@@](C)(O)CN2CCOCC2)c1C#N 332566112 UYPHSIRVXMVBOL-OAHLLOKOSA-N 322.365 -0.403 30 20 DBED CCN(C)C(=O)[C@@H](C)NS(=O)(=O)N(CCC#N)CCOC 337180516 MCGSASVQLWTHML-LLVKDONJSA-N 320.415 -0.450 30 20 DBED C=CCNC(=O)CNC(=O)C(=O)Nc1cc(C)c2nccn2c1 340179302 SBPPGDRCONDQDG-UHFFFAOYSA-N 315.333 0.000 30 20 DBED C=CCCC[C@@H](C)NC(=O)C(=O)N1CCO[C@@H](C(=O)NC)C1 352316474 UXHNKIOWPNHRJS-VXGBXAGGSA-N 311.382 -0.179 30 20 DBED C=CCSCCNC(=O)C(=O)N(C)[C@H](C)CS(C)(=O)=O 355290050 FBHQJVMGYKCBNX-SNVBAGLBSA-N 322.452 -0.087 30 20 DBED N#CCNC(=O)CNC(=O)N[C@H]1CCCC[C@@H]1N1CCOCC1 376376176 KMZCXZLWJMFACD-STQMWFEESA-N 323.397 -0.431 30 20 DBED CC(C)NS(=O)(=O)NCCNC(=O)N[C@@H]1CC[C@H](C#N)C1 425517202 OXHFBJOATACXJL-WDEREUQCSA-N 317.415 -0.190 30 20 DBED N#Cc1c(Cl)cccc1S(=O)(=O)N1C[C@H](O)[C@H](O)C1 434770026 YCPXVSJBJSKQKT-AOOOYVTPSA-N 302.739 -0.062 30 20 DBED C#CCN1CCN(C(=O)CN2CCC(C(=O)OC)CC2)CC1 490760867 PXHQQTPWPTVLAP-UHFFFAOYSA-N 307.394 -0.351 30 20 DBED C#CCN1CCN(C(=O)CN2CCN(C[C@H](C)O)C[C@@H]2C)CC1 491143591 GLEDBWAWWXZXCU-HOTGVXAUSA-N 322.453 -0.849 30 20 DBED C#CCNC(=O)C1CCN(CCCOC(=O)NC(N)=O)CC1 491153537 ATSYQOGXFBCAJG-UHFFFAOYSA-N 310.354 -0.357 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCCN2CC[C@H](C)C2)C1=O 525291878 RAGDZSOHKRCPDF-NSHDSACASA-N 322.365 -0.579 30 20 DBED Cc1noc([C@@H](C)N(C)c2c(C#N)c(=O)n(C)c(=O)n2C)n1 579258115 BKKFBNDMPYPQJN-SSDOTTSWSA-N 304.310 -0.156 30 20 DBED COC(=O)[C@@H](NC(=O)CN1CCN(CCC#N)CC1)C(C)C 589257596 WCESSFRBMLFPQW-AWEZNQCLSA-N 310.398 -0.169 30 20 DBED CS(=O)(=O)N1CC[C@@H](NC(=O)N2CC[C@](F)(C#N)C2)C1 593447721 IHDPVDVGFLQGFZ-KOLCDFICSA-N 304.347 -0.333 30 20 DBED CN(C[C@H]1CCCOC1)C(=O)C(=O)N1CCN(CCC#N)CC1 601452700 WUUDTYRNCUBIRY-CQSZACIVSA-N 322.409 -0.071 30 20 DBED COC(=O)[C@@H](C)CS(=O)(=O)N1CCN(CCC#N)CC1 601536779 SRUYWIYMLNYSAU-NSHDSACASA-N 303.384 -0.343 30 20 DBED CNC(=O)[C@H]1CCC[C@H]1Nc1c(C#N)c(=O)n(C)c(=O)n1C 611221851 CQVIXSIEMNQYPR-WCBMZHEXSA-N 305.338 -0.718 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2ccc(C#C)cn2)CC1 728866173 MQDCQVIYDKPAEI-UHFFFAOYSA-N 310.357 -0.430 30 20 DBED C=C(C)CN(CC)C(=O)[C@@H](C)OC(=O)c1cn(CC(N)=O)nn1 745467323 FMPBQRDJLJPCMY-SNVBAGLBSA-N 323.353 -0.267 30 20 DBED C#CCNC(=O)COC(=O)c1cc(S(N)(=O)=O)oc1C 754147467 FDVKRBXOIQQVOV-UHFFFAOYSA-N 300.292 -0.858 30 20 DBED COCCCNC(=O)C(=O)NCCNc1ccc(C#N)cn1 774491385 LCMIPVRJDYTZIQ-UHFFFAOYSA-N 305.338 -0.366 30 20 DBED C#C[C@@H](NC(=O)c1ccc(S(=O)(=O)NC)nc1)[C@H]1CCCO1 775322743 GCTQHWXMCNZMFA-VXGBXAGGSA-N 323.374 -0.100 30 20 DBED Cn1cnc(C=NNC(=S)NCCCN2CCOCC2)c1 794472513 XJQBKENIAUXHRT-UHFFFAOYSA-N 310.427 -0.060 30 20 DBED C=CCN(CC(=O)O)C(=O)NCCCN(CC)S(C)(=O)=O 797711431 LAXURAGSDSPIOB-UHFFFAOYSA-N 321.399 -0.060 30 20 DBED Cc1nn(C)c(N2CCN([C@@H]3CCC(=O)NC3=O)CC2)c1C#N 799167214 QFMZAHVRPPQGFH-GFCCVEGCSA-N 316.365 -0.473 30 20 DBED CNC(=O)C1(NS(=O)(=O)N(C)C[C@H](C)C#N)CCCC1 800040495 ARVJIPVSQLVUNX-SNVBAGLBSA-N 302.400 -0.029 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC1CCC2(CC1)NC(=O)NC2=O 804732225 HVKWBAZTOWZHJF-BGMSHATGSA-N 318.377 -0.279 30 20 DBED C#CCCS(=O)(=O)NC(=O)c1sccc1-n1cnnn1 810779491 PFBKEMHUPMWNOO-UHFFFAOYSA-N 311.348 -0.193 30 20 DBED COc1ncnc(N)c1C=NNc1oc(C)nc1-c1nn[nH]n1 821920282 PHLCZKQGOWWUSP-UHFFFAOYSA-N 316.285 -0.010 30 20 DBED C=CCNC(=O)CNC(=O)COc1ccc(-c2nn[nH]n2)cc1 823919329 CFLDUKPJGLIFOU-UHFFFAOYSA-N 316.321 -0.336 30 20 DBED C=CCN(C(=O)C(=O)N1CCN(C(=O)COC)CC1)C(C)C 839248312 QPXIRVLXZFKNQK-UHFFFAOYSA-N 311.382 -0.273 30 20 DBED C=CCn1cc(C(=O)O[C@@H](C)CN(C)S(C)(=O)=O)nn1 842777586 IGXRWTKQFMBBKQ-VIFPVBQESA-N 302.356 -0.099 30 20 DBED Cc1oc(C)c(S(N)(=O)=O)c1C(=O)N[C@H]1CNC[C@@H]1C#N 843458893 AXQDEGRKXVMIFN-IUCAKERBSA-N 312.351 -0.615 30 20 DBED CCOC(=O)CON=C(C(=O)N[C@H]1CO[C@H](C)C1)c1cc[nH]n1 844099620 OLZZLRDFIMOGLK-NXEZZACHSA-N 324.337 -0.013 30 20 DBED C#C[C@H]1COCCN1C(=O)C(=O)N1CCC(CCC(=O)O)CC1 852915670 ZLBLFERFCTWDCY-ZDUSSCGKSA-N 322.361 -0.050 30 20 DBED C#CC[C@H](CCOC)NC(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 858585630 LJKHOPIARKMEDT-VXGBXAGGSA-N 317.411 -0.252 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NCCC(C)(C)OC)C1=O 871255751 GPWNKBYNMZFVAW-UHFFFAOYSA-N 311.338 -0.106 30 20 DBED C#CC[C@@H](CCOC)NC(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 875916969 QGJTWTJYBMKWMD-WDEREUQCSA-N 308.338 -0.640 30 20 DBED C#CC[C@H](CO)NC(=O)Nc1cnn(CCN2CCOCC2)c1 878848903 DXNFDMXQGJBUCA-CYBMUJFWSA-N 321.381 -0.279 30 20 DBED C=C(Cl)Cn1cc(CNC(=O)CN2CCCNCC2)nn1 881426568 LPYBFMFDCVUWHC-UHFFFAOYSA-N 312.805 -0.058 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN(S(N)(=O)=O)CC1 906511656 LNKDIKQSEUSNJW-QWRGUYRKSA-N 303.384 -0.685 30 20 DBED CCCNC(=O)CN(C)C(=O)COC(=O)CSCC#N 915386624 PMJRIKFFVAKIDO-UHFFFAOYSA-N 301.368 -0.229 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@@H]2CCOC2)C1 941237685 FUNAGMWUBIVYAX-KFWWJZLASA-N 319.405 -0.162 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@H](CNC(=O)c2ccc(O)nn2)C1 944459590 AWHYVPMRLMROKA-NXEZZACHSA-N 319.321 -0.701 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@H](CNC(=O)c2cnn(C)c2N)C1 944556738 MIZYPSKPJVIBKV-VHSXEESVSA-N 320.353 -0.881 30 20 DBED CC(C)(C(N)=O)C(=O)N1CCC2(CC1)CN(CC#N)CCO2 949388886 MYXOFIWPVVJLOR-UHFFFAOYSA-N 308.382 -0.285 30 20 DBED C=CCN1CC[C@@H](N2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)C1=O 950528135 VMSHQDDZDHCBNZ-FRRDWIJNSA-N 320.393 -0.961 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H](NC(=O)CN2CCOCC2)C1 951867648 JJOQSQSSRBQLFA-CHWSQXEVSA-N 308.382 -0.415 30 20 DBED Cn1cnc2cc(C(=O)NC[C@@H]3CN(CC#N)C[C@H]3O)cnc21 958318529 DURVLMPKQIQQSQ-DGCLKSJQSA-N 314.349 -0.486 30 20 DBED C#CCOc1ccc(C(=O)NC[C@@H]2CN(CCO)C[C@H]2O)cc1 958452462 FMGLPGVCMANPTO-GDBMZVCRSA-N 318.373 -0.287 30 20 DBED CN(C(=O)c1ccnnc1)[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 958975851 CVEWPGNTLMRMGO-KBPBESRZSA-N 314.345 -0.466 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cncn1C 960584893 MWHVUAQEUTWIHL-KGYLQXTDSA-N 317.349 -0.368 30 20 DBED N#CCN1C[C@H]2[C@H](NC(=O)c3sccc3-n3cnnn3)[C@H]2C1 960767211 NLOPGUWBNQMVGQ-JZYVYDRUSA-N 315.362 -0.093 30 20 DBED C=CCN1C[C@H]2C(NC(=O)c3ccc(=O)n(CCOC)n3)[C@@H]2C1 960929646 LJBIAADGVTYJNN-VXGBXAGGSA-N 318.377 -0.264 30 20 DBED C=CCn1cc(C(=O)NC2[C@@H]3CN(CC(=O)N(C)C)C[C@@H]23)nn1 961995633 UXYDKDBSOBFWHR-GHMZBOCLSA-N 318.381 -0.788 30 20 DBED C=CCCN1C[C@H]2[C@H](NC(=O)[C@H]3CN(C(C)=O)CCO3)[C@H]2C1 962434078 BKQURBINLGPVFC-BARDWOONSA-N 307.394 -0.144 30 20 DBED C#CCN1C[C@@H]2C(NC(=O)c3ccccc3-n3cnnn3)[C@H]2C1 962513208 ZJZUMULSYXJDND-STQMWFEESA-N 308.345 -0.045 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)C(N)=O)CC1 965138632 LUTLFJOEBVZYHU-STQMWFEESA-N 320.393 -0.933 30 20 DBED N#CCN1CCCCC[C@H]1CNC(=O)c1nnc(O)nc1O 968936140 BQFATUBNCYGSFT-VIFPVBQESA-N 306.326 -0.219 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1COC(=O)N1 968939315 JQKUTLNKWBAVNG-MMWGEVLESA-N 306.322 -0.544 30 20 DBED C#CCN1CC([C@H](C)NC(=O)c2coc(S(N)(=O)=O)c2)C1 969992086 KBOSGMCKMJAXGX-VIFPVBQESA-N 311.363 -0.390 30 20 DBED N#CCN1CCO[C@@]2(CCN(C(=O)CCN3CCOCC3)C2)C1 972599754 YTKAEEIHGBLTIJ-INIZCTEOSA-N 322.409 -0.464 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H]2CCN(C(=O)Cn3cnnn3)C[C@H]21 974724065 YTHNLVQTSSPDNT-VXGBXAGGSA-N 318.381 -0.055 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H]1CN(C)C(=O)c1cn(C)c(=O)cn1 978163475 XQVLPKKTHVIPSI-MNOVXSKESA-N 317.349 -0.387 30 20 DBED C=CCN1C[C@@H]2C(CNC(=O)[C@@H]3Cc4cncn4C(=O)N3)[C@H]2C1 978520075 HYVISFAPQDUNDU-MCIONIFRSA-N 315.377 -0.155 30 20 DBED Cc1c[nH]c(CC(N)=O)c1C(=O)NC[C@H]1[C@@H]2CN(CC#N)C[C@H]12 978750736 YMVJUNWEVSSTPF-CNDDSTCGSA-N 315.377 -0.218 30 20 DBED N#CCN1CC[C@]2(NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)CCC[C@@H]12 992175150 TWRRXVCCAZVDKP-FUTJPDQTSA-N 306.366 -0.344 30 20 DBED C#CCN1CCC[C@@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)[C@H]1C 993911861 BVNOMOOLJOSZMV-GHMZBOCLSA-N 320.349 -0.991 30 20 DBED CN(C(=O)[C@@H]1CCN(C)S1(=O)=O)C1CC(NCC#N)C1 999535182 FJDASTUXDOGYJT-ILDUYXDCSA-N 300.384 -0.877 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(NC(=O)Cn2cncn2)C1 1000122216 GIGVEGWHXOJRBG-OLZOCXBDSA-N 319.365 -0.414 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2CC[C@@H](C)O2)C1 1000327378 XXMWKJDSHFJQHJ-VHDGCEQUSA-N 319.405 -0.022 30 20 DBED N#Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C(N)=O)c[nH]1 1002143458 STCSEKGTOCYYMR-MXWKQRLJSA-N 301.306 -0.767 30 20 DBED CC(=O)N1CCC[C@@H](C(=O)NCC2CN(C(=O)[C@@H](C)C#N)C2)C1 1003184003 YNLCCODUPLQECE-SMDDNHRTSA-N 320.393 -0.021 30 20 DBED C#Cc1cncc(C(=O)N2CC(CNC(=O)c3cnn(C)n3)C2)c1 1003236891 YQIFRZPUOWNMKP-UHFFFAOYSA-N 324.344 -0.307 30 20 DBED CN1CC[C@@H](N2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)C1=O 1010461166 CJKBAXRKILWRFW-WCQYABFASA-N 301.350 -0.079 30 20 DBED C=CCn1cc(C(=O)N2CCN(C(=O)[C@H](C)OC)CC2)nn1 1010563830 XOVZGFYBISTHFF-NSHDSACASA-N 307.354 -0.217 30 20 DBED COc1c(C(=O)NC2[C@@H]3CN(C(=O)[C@H](C)C#N)C[C@@H]23)cnn1C 1013527992 RBVHEUZGFMXGFF-FBIMIBRVSA-N 317.349 -0.225 30 20 DBED C=CCCN1CC[C@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)C1 1015785680 AWZLOJCPAGINHX-JTQLQIEISA-N 308.338 -0.826 30 20 DBED C=CCCN1CC[C@@H](NC(=O)Cn2ncn3nccc3c2=O)C1 1015788452 GCQNKPCLPZRZMO-GFCCVEGCSA-N 316.365 -0.342 30 20 DBED N#Cc1c[nH]c(C(=O)NCC2=CCN(C(=O)C(N)=O)CC2)c1 1017365674 VOEQOHJWWVVERK-UHFFFAOYSA-N 301.306 -0.740 30 20 DBED C[C@H](C#N)C(=O)N1CC=C(CNC(=O)[C@@H]2CCC(=O)N2)CC1 1017609109 NPQXNUQMOZZBHS-PWSUYJOCSA-N 304.350 -0.300 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@]2(CN(C(=O)C(N)=O)C[C@H](C)O2)C1 1017850028 WAAZBXIGBAKLGN-MEDUHNTESA-N 323.393 -0.098 30 20 DBED C[C@H](C#N)C(=O)N1CCC2(CN(C(=O)c3cn(C)nn3)C2)C1 1018993386 AEWCDOPMWNBPRJ-SNVBAGLBSA-N 302.338 -0.351 30 20 DBED C#CCN1CCC[C@H](CNC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 1023502558 GTAJXHFCYISVRZ-OCCSQVGLSA-N 315.377 -0.173 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)C2(F)CCOCC2)C1 1024227647 QLGRQLDVSFCKOR-GMTAPVOTSA-N 313.329 -0.647 30 20 DBED Cc1noc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2O)c1C 1024295145 VASRSWFZIDYMBF-WHGOUJPWSA-N 306.322 -0.247 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)c3cnon3)C[C@H]2O)C1 1025542040 JHFIPWCGKRQJFG-GHMZBOCLSA-N 306.322 -0.273 30 20 DBED C=C(Cl)CN1CCC[C@@H]1CNC(=O)[C@@H]1CC(=O)NC(=O)N1 1028171843 JYTXUPLJNPFHCB-ZJUUUORDSA-N 314.773 -0.082 30 20 DBED CC#CCN1CC[C@@H](CNC(=O)c2cn(C)c(=O)n(C)c2=O)C1 1028840396 CVEAGPYYQMJUJZ-LBPRGKRZSA-N 318.377 -0.841 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCCN([C@@H](C)C(N)=O)C1 1030024757 XDHPTOJZYFVWPV-MJBXVCDLSA-N 306.410 -0.462 30 20 DBED C=CCN1CC[C@@H](N2CC(NC(=O)[C@H]3CCC(=O)N3C)C2)C1=O 1030829207 IMKBULBHDIADPO-CHWSQXEVSA-N 320.393 -0.806 30 20 DBED Cn1cc(C(=O)N2CC[C@H]3[C@H](CCN3CC#N)C2)c(O)nc1=O 1036893249 OCKXQOFFUGYLJY-PWSUYJOCSA-N 317.349 -0.454 30 20 DBED C#CCN1CC[C@@H](C2CCN(C(=O)Cn3ncnn3)CC2)C1 1039129670 CFVAFDJKPYWETJ-CQSZACIVSA-N 302.382 -0.133 30 20 DBED C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cnc(O)n(C)c1=O 1039415835 XQUUNXQVRFGYIW-NEPJUHHUSA-N 316.361 -0.202 30 20 DBED C#CCCCC(=O)NC[C@]1(O)CCN(C(=O)c2cncnc2)C1 1039572638 ANHIMNJININNIT-MRXNPFEDSA-N 316.361 -0.027 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@]1(O)CCN(C(=O)COCC=C)C1 1039721888 PEQGDBYRJNRHKZ-BBRMVZONSA-N 324.377 -0.693 30 20 DBED C[C@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)c2cncs2)C1 1040762856 MFKKMSFLXSZBFF-RNCFNFMXSA-N 308.363 -0.004 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)Cc3ncc[nH]3)C2)cn1 1041133282 KCUWNXIULILXGU-CHWSQXEVSA-N 312.333 -0.415 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)C[C@@H]2CCCO2)C1 1041656187 UBHNDSUVHAKVBW-ZDUSSCGKSA-N 324.377 -0.715 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)c2nc(C)oc2C)C1 1042047810 ZPMPKJGJKQXKEW-UHFFFAOYSA-N 323.349 -0.203 30 20 DBED CO[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1NC(=O)c1ccon1 1042774034 HYHDEKZGWFMKPS-VXGBXAGGSA-N 314.305 -0.030 30 20 DBED C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)C2(F)CCOCC2)C1 1043524138 ILWJNMHANYSASY-JTQLQIEISA-N 313.329 -0.646 30 20 DBED Cc1cc(C#N)nc(N2C[C@H](O)[C@H](NC(=O)[C@@H]3CCOC3)C2)n1 1043867977 RMNPSEFBYICENP-RTXFEEFZSA-N 317.349 -0.641 30 20 DBED N#Cc1cncc(N2C[C@H](O)[C@H](NC(=O)[C@H]3CC3(F)F)C2)n1 1043927964 WUOFMRCFLGTVBX-BBBLOLIVSA-N 309.276 -0.331 30 20 DBED C=CCN[C@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)[C@H](C)C1 1044608478 QWEOVVOGWRTDHL-MNOVXSKESA-N 306.370 -0.468 30 20 DBED CC#CCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2COCCO2)C1 1045003435 TWVAXVRRFVTMEF-ZDUSSCGKSA-N 324.377 -0.715 30 20 DBED C=CCCCC(=O)NCC1(O)CN(C(=O)c2[nH]nnc2C)C1 1045463181 YFWLCTIRRBWJJL-UHFFFAOYSA-N 307.354 -0.227 30 20 DBED CC#CCN1CCC(C)(NC(=O)c2nnc(O)nc2O)CC1 1045493220 SNNNDCRYGHRKHF-UHFFFAOYSA-N 305.338 -0.110 30 20 DBED Cc1nscc1C(=O)N1CC(O)(CNC(=O)[C@H](C)C#N)C1 1045541507 WRLAJZQEQSOWKI-MRVPVSSYSA-N 308.363 -0.086 30 20 DBED N#CCN1CC[C@H](N2CCN(C(=O)[C@@H]3CCC(=O)NC3)CC2)C1 1046042815 NJDNSPYBWKJNNN-KGLIPLIRSA-N 319.409 -0.745 30 20 DBED N#Cc1ccc(N[C@H]2C[C@@H](CNC(=O)[C@H]3CCNC3=O)C2)nn1 1046529620 QZHKSAZHTHNRHN-WCQGTBRESA-N 314.349 -0.209 30 20 DBED C#CCN1C[C@H]2C[C@@H](NC(=O)CN3CCN(C)C(=O)C3)C[C@H]1C2 1047097914 DXYKRZNPUIGWSP-RRFJBIMHSA-N 318.421 -0.637 30 20 DBED NC(=O)CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C#CC1CC1)C2 1047417731 YVWKGSZZBGTASL-XQQFMLRXSA-N 303.362 -0.229 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3nc(C)nn3C2)C1 1047468747 TYFRDJKXEDBISG-RDBSUJKOSA-N 319.409 -0.162 30 20 DBED CN(C(=O)[C@@H]1CCc2nc[nH]c2C1)[C@H]1CN(CC#N)C[C@@H]1O 1047590057 WRKRJMDGSZAJEY-SWHYSGLUSA-N 303.366 -0.458 30 20 DBED C[C@@H](C(=O)N(C)[C@H]1CN(CC#N)C[C@@H]1O)N1CCCCC1=O 1047638713 FHRXRPQLSJZIEY-AVGNSLFASA-N 308.382 -0.586 30 20 DBED C=CCO[C@@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cocn2)C1 1048547057 BWZFJCBXVQDVNH-DRZSPHRISA-N 323.349 -0.091 30 20 DBED N#CCN1C[C@H]2CN(C(=O)[C@H]3CCCN(C(N)=O)C3)C[C@H]2C1 1048924353 AYUYXVFSFNUSCC-RWMBFGLXSA-N 305.382 -0.309 30 20 DBED C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1nnc(O)nc1O 1049574023 YHKFFURTRSUAQS-NXEZZACHSA-N 303.322 -0.405 30 20 DBED Cn1nc(C(=O)N2CC3(CCN(CC#N)CC3)C2)ccc1=O 1050747874 ZAWSKRNTBHTVCQ-UHFFFAOYSA-N 301.350 -0.158 30 20 DBED C#CCN1CCN([C@@H]2CCN(C(=O)c3cnn(C)c3N)C2)CC1 1052017552 NCBLIAVSQXCPLC-CYBMUJFWSA-N 316.409 -0.532 30 20 DBED N#CCN1CCN([C@@H]2CCN(C(=O)C[C@H]3CCC(=O)N3)C2)CC1 1052097004 RYPOAXVRXZMUDM-ZIAGYGMSSA-N 319.409 -0.603 30 20 DBED C#CCCCC(=O)N1C[C@H](C)[C@H](CNC(=O)CNC(=O)NC)C1 1052482653 HGLLGHUTIKTVFX-QWHCGFSZSA-N 322.409 -0.070 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)[C@H]1CN(C)CCO1)CCO2 1053203184 UKUZBDNUUWDBIJ-CQSZACIVSA-N 307.394 -0.747 30 20 DBED CC#CCN1CC2(C1)CN(C(=O)[C@H]1OCCO[C@H]1C)CCO2 1053294579 URGIITMXLJFHEJ-KBPBESRZSA-N 308.378 -0.273 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1C 1053301670 WPYSRWWIWCHPOK-VXGBXAGGSA-N 323.393 -0.335 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)[C@H]3CCN(C)C(=O)C3)CO2)C1 1053849798 VBWQHWOLTGDTGH-QWHCGFSZSA-N 305.378 -0.553 30 20 DBED C[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1CNc1nccnc1C#N 1054453953 FWLGXYHIOPKEOD-NXEZZACHSA-N 302.338 -0.270 30 20 DBED N#Cc1nccnc1N1C[C@H]2C(NC(=O)[C@H]3COCCO3)[C@@H]2C1 1056134727 KMDJZQGZGYHIMD-CKYFFXLPSA-N 315.333 -0.686 30 20 DBED C=C(C)C[C@H](C)C(=O)NCCN(CCO)C(=O)c1cn(C)nn1 1057495973 YZCYCBLYSAZIJO-LBPRGKRZSA-N 323.397 -0.032 30 20 DBED C=C(C)CCC(=O)N(CCO)CCNC(=O)CN(C)C(C)=O 1057807515 GRQOBCKPDDNMNH-UHFFFAOYSA-N 313.398 -0.242 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)c1ccn(C)c(=O)c1 1058048875 LRGVFEDRSHUVQS-NSHDSACASA-N 320.349 -0.904 30 20 DBED N#Cc1ccc(N2CCC[C@H](NC(=O)Cn3cnnn3)C2)nn1 1058118295 CNEWTFLWCGSKFT-NSHDSACASA-N 313.325 -0.880 30 20 DBED C#CCCCCC(=O)NCCN(CCO)C(=O)[C@@H]1CCC(=O)N1 1058242021 KFYNILHSWLJWET-ZDUSSCGKSA-N 323.393 -0.604 30 20 DBED N#Cc1cncc(N2CC[C@H](NC(=O)[C@@H]3COCCO3)C2)n1 1058304650 HBCKPWNHJIVVLI-JQWIXIFHSA-N 303.322 -0.541 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)[C@H]1C[C@@H](C)CO1 1058331275 INYYPFFHDMRPLI-CHWSQXEVSA-N 314.382 -0.449 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCN(CCO)C(=O)[C@@H](F)CC 1058380795 OHCAJAVNQXNESE-SMDDNHRTSA-N 304.362 -0.001 30 20 DBED Cc1cnc(C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N)cn1 1058652586 AUYWWACLCUFNTN-JTQLQIEISA-N 305.338 -0.505 30 20 DBED N#Cc1nc(=N[C@H]2CCN(C(=O)CN3CCCC3)C2)cc[nH]1 1058905841 KKCLQUKGDVPLOZ-LBPRGKRZSA-N 300.366 -0.121 30 20 DBED C[C@H](C#N)C(=O)NCC[C@@H]1CCN(C(=O)CC(=O)N(C)C)C1 1059666549 MMNTVYYMAASGKL-VXGBXAGGSA-N 308.382 -0.021 30 20 DBED N#Cc1nccnc1N1CCC[C@H]1CNC(=O)[C@H]1CCNC1=O 1061422168 CAKWEBAXDYGSQI-QWRGUYRKSA-N 314.349 -0.431 30 20 DBED Cn1cnc(C(=O)N2CCOC[C@H]2CNC(=O)C#CC2CC2)c1 1061569484 GBJAXKTYRBOYKW-CYBMUJFWSA-N 316.361 -0.209 30 20 DBED C=C(C)CCC(=O)NC[C@H]1COCCN1C(=O)[C@H]1C[C@H]1C(N)=O 1061630687 AWZCWJHLJUDMBD-XQQFMLRXSA-N 323.393 -0.192 30 20 DBED C#CCOCCC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H](C)C#N 1061852961 OVEPENAFIXDOTM-STQMWFEESA-N 307.350 -0.470 30 20 DBED N#CCSCC(=O)NCC1(NC(=O)Cn2ncnn2)CCC1 1062580635 FZZPVPQURMGBLP-UHFFFAOYSA-N 323.382 -0.915 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(NC(=O)CNC(=O)NC)CCC1 1063046399 LOSOBWAEYYWRPN-LLVKDONJSA-N 324.381 -0.891 30 20 DBED C#CCOCCC(=O)N1CCO[C@@H](CNC(=O)C#CC2CC2)C1 1065149385 AEBAGFGYNSZNKU-HNNXBMFYSA-N 318.373 -0.217 30 20 DBED C=CCCC(=O)N1CC[C@@H](N2CCN(C(=O)C(N)=O)CC2)C1 1065692244 AKABVAKBVMJRBD-GFCCVEGCSA-N 308.382 -0.817 30 20 DBED C#CCO[C@H](C)C(=O)N(C)CCCN(C)C(=O)[C@H]1CNC(=O)N1 1067431495 RFKMXHWDPRLQEJ-VXGBXAGGSA-N 324.381 -0.987 30 20 DBED N#Cc1cncc(NCC2CC(NC(=O)Cn3ncnn3)C2)n1 1067866504 JGPXXDAZOQLRFT-UHFFFAOYSA-N 313.325 -0.658 30 20 DBED Cn1ncc(C(=O)N2C[C@H]3CC[C@H]2CN3c2ccnc(C#N)n2)n1 1068046768 JPGGMKNQZHQSBR-MNOVXSKESA-N 324.348 -0.030 30 20 DBED N#Cc1nccc(N2C[C@H]3CC[C@H]2CN3C(=O)Cn2nccn2)n1 1068053651 NIZRKWXHVMSIGX-NWDGAFQWSA-N 324.348 -0.180 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1COC2(C1)CN(C(=O)Cc1ncc[nH]1)C2 1069003347 LVLLIFJYARGFJV-QWRGUYRKSA-N 317.349 -0.402 30 20 DBED C[C@H]1C[C@@H](N=c2cc[nH]cc2C#N)CN1C(=O)CS(C)(=O)=O 1069039343 BPZKGGSUTVHAFF-CMPLNLGQSA-N 322.390 -0.179 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2cnc(O)n2C)C1 1069997452 BKWNVZUEAKUDDH-PWSUYJOCSA-N 315.337 -0.994 30 20 DBED C#CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)Cc2cnoc2)C1 1070006991 SNCOAOWSBPCKFO-KGLIPLIRSA-N 314.349 -0.126 30 20 DBED N#CCN1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CNC(=O)N2)C1 1070423128 QXNZEQBDXVBOIL-GXSJLCMTSA-N 317.353 -0.980 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)C[C@H]4CCC(=O)N4)C[C@@]3(C1)O2 1070867320 HZYUOFXBUSUFJF-VMUDFCTBSA-N 317.389 -0.410 30 20 DBED C#CCOCCC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CCNC2=O)C1 1071068510 AYFJKXKCIWHNNE-CHWSQXEVSA-N 321.377 -0.730 30 20 DBED CC(C)C#CC(=O)N1C[C@H](C)[C@H](NC(=O)CS(C)(=O)=O)C1 1072035916 RJOJVEPXSSQLBZ-NWDGAFQWSA-N 314.407 -0.347 30 20 DBED C=CCOCC(=O)N[C@H]1CN(C(=O)Cc2nc[nH]n2)C[C@@H]1C 1072778500 RFTGIDGLQJLXIE-QWRGUYRKSA-N 307.354 -0.487 30 20 DBED C[C@@H](C#N)C(=O)NC1(C)CCN(C(=O)C2(C(N)=O)CC2)CC1 1073225825 ZCTDGBCESWYTRB-JTQLQIEISA-N 306.366 -0.091 30 20 DBED C=CCOCC(=O)N1CC[C@@H](NC(=O)Cn2cnnn2)[C@H](C)C1 1073692369 MAKRBXYFLBQVFF-VXGBXAGGSA-N 322.369 -0.771 30 20 DBED C=C(Br)CN1C[C@@H]2CCN(C(=O)C(N)=O)[C@@H]2C1 1076193147 DGKCYCIBBGBKAA-DTWKUNHWSA-N 302.172 -0.087 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)[C@@H]1CCCCO1 1076219258 ZVYNQGWEZGRRFN-STQMWFEESA-N 323.393 -0.294 30 20 DBED CC(C)C#CC(=O)N[C@@H](C)CCNC(=O)C[C@@H]1CC(=O)NC1=O 1077317775 GDXZDHMGUNZJGY-NWDGAFQWSA-N 321.377 -0.290 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN([C@@H](C)C(=O)N(C)C)C[C@H]2O)C1 1077645712 SLAXKWLLRYCNJG-YNEHKIRRSA-N 309.410 -0.019 30 20 DBED C#CCOCCC(=O)N[C@@H](C)CCNC(=O)[C@H](C)CC(N)=O 1077726517 QLHAGQYYNGFDEQ-NEPJUHHUSA-N 311.382 -0.451 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CN(CC[C@@H](C)F)C[C@H]2O)nn1 1077801175 GCHQXOIYHCUGRG-NQBHXWOUSA-N 311.361 -0.013 30 20 DBED N#CCN1C[C@@H](O)[C@H](NC(=O)c2ccc(CNC(N)=O)cc2)C1 1078157230 SZTABZJXBBJHEF-CHWSQXEVSA-N 317.349 -0.847 30 20 DBED C=CCOCC(=O)N1CC(N(CC)C(=O)c2cc(=O)n(C)o2)C1 1079671703 ZYQPIBZVUOJMCD-UHFFFAOYSA-N 323.349 -0.146 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC(N(CC)C(=O)c2cn(C)nn2)C1 1079714625 QETAYHQFIPSDPZ-OAHLLOKOSA-N 321.381 -0.185 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@H](CNC(=O)C(C)(F)F)C1 1081184666 XOOZTOLMRBNVCR-NXEZZACHSA-N 306.309 -0.220 30 20 DBED C=C1CC(C)(C(=O)N2C[C@H](CNC(=O)CNC(C)=O)[C@@H](O)C2)C1 1081206946 DQFPIPVQBGYIMI-STQMWFEESA-N 323.393 -0.586 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)c2ccc(O)nn2)C[C@@H]1O 1081332958 NCHNYRHCNSXNQA-JQWIXIFHSA-N 320.349 -0.303 30 20 DBED C#CCOCCC(=O)N1C[C@H](O)[C@H](CNC(=O)/C(C)=C/C)C1 1081397686 UTBYOZKWAHZGOA-KYYFYTAESA-N 308.378 -0.072 30 20 DBED C=CCOCC(=O)N1C[C@H](CNC(=O)c2coc(C)n2)[C@@H](O)C1 1081427705 IQQVVPCKAYIXMB-AAEUAGOBSA-N 323.349 -0.265 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)c2cnon2)C[C@H]1O 1081439236 NRPKQYJLAYBTAI-CMPLNLGQSA-N 306.322 -0.578 30 20 DBED C=C(C)CCN1C[C@@H](NC(=O)c2nnc(O)nc2O)[C@H](OC)C1 1081899307 LIPKRRLILUWYRO-NXEZZACHSA-N 323.353 -0.322 30 20 DBED COCCn1cc(C(=O)N[C@@H]2CN(CC#N)C[C@H]2OC)cn1 1082348135 LPVDUIPACBICOV-CHWSQXEVSA-N 307.354 -0.518 30 20 DBED C#Cc1ccc(C(=O)N2C[C@@H](N[C@@H](C)C(N)=O)[C@H](C)C2)nc1 1082870440 WTYYADINSOTTOX-UHIISALHSA-N 300.362 -0.013 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN([C@@H]3CCCNC3=O)C[C@@H]2O)C1 1083762650 NSAXLYJAISVMLV-UPJWGTAASA-N 307.394 -0.217 30 20 DBED CCN(c1cnc(C#N)cn1)[C@H](C)CNC(=O)[C@@H]1CNC(=O)N1 1089728903 SFPFOSPGGLZYKT-KOLCDFICSA-N 317.353 -0.639 30 20 DBED CSCCC(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1O 1090369319 XCTJKIGFRYBNPE-GHMZBOCLSA-N 307.379 -0.233 30 20 DBED C=CCN1CC[C@@H](NC(=O)c2c(C)c[nH]c2CC(N)=O)[C@@H](O)C1 1090582577 DPYUKJBHRSIMDQ-YPMHNXCESA-N 320.393 -0.298 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2ccc3nncn3c2)[C@H](O)C1 1090645202 BEEWGSWTOCULEW-ZIAGYGMSSA-N 313.361 -0.082 30 20 DBED C#CCN1CC[C@@H](NC(=O)Cn2c(C)c(C)sc2=O)[C@@H](O)C1 1090829703 DWWCOUIEBRREEN-OLZOCXBDSA-N 323.418 -0.289 30 20 DBED COc1ccnc(N2C[C@@H](NC(=O)[C@@H](C)C#N)[C@H](OC)C2)n1 1090865839 ZROUHXXFRGPRKI-HBNTYKKESA-N 305.338 -0.035 30 20 DBED CC(C)[C@@H](O)C(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@@H]1O 1091091263 CHVIXPVPNFKSKC-HZSPNIEDSA-N 304.350 -0.364 30 20 DBED C[C@H](CC(N)=O)C(=O)N[C@H]1CCN(c2ccnc(C#N)n2)[C@@H]1C 1092033921 QWAWKWOCFHMJJB-MXWKQRLJSA-N 316.365 -0.057 30 20 DBED CN(C)CCC(=O)N[C@@H]1CCN(c2nccnc2C#N)C[C@H]1O 1092173477 LHJSCGXKVNYVHY-DGCLKSJQSA-N 318.381 -0.644 30 20 DBED Cc1cc(C#N)nc(N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)CC(N)=O)n1 1092809554 DZHMNAGNOVXCEJ-WOPDTQHZSA-N 314.349 -0.242 30 20 DBED C=C[C@](C)(O)CC(=O)NCCN=c1cc[nH]c(C(=O)OC)n1 1093572655 WHJMCNJBIYQIHE-AWEZNQCLSA-N 308.338 -0.460 30 20 DBED C=CCN1CCN(C(=O)c2cc[nH]n2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094609804 MHBGPKYVKZPFHG-NWDGAFQWSA-N 310.379 -0.481 30 20 DBED N#CCN1CC(N2C[C@H](NC(=O)C[C@H]3CCCO3)CC2=O)C1 1094710148 QQAHEDUHOZZYTD-DGCLKSJQSA-N 306.366 -0.520 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)c3[nH]c(O)nc3C)CC2=O)C1 1094747432 RZRQEDZSMRHLMJ-JTQLQIEISA-N 319.365 -0.375 30 20 DBED C[C@@H](CC(=O)N[C@H]1CCN(c2ccc(C#N)nn2)C1)NC(N)=O 1096439964 PCJSDLLULLHKNJ-ONGXEEELSA-N 317.353 -0.510 30 20 DBED N#Cc1nccnc1N1CC[C@@H](NC(=O)C(=O)NCC(F)F)C1 1096446962 ZKQZINJVZZSURL-MRVPVSSYSA-N 324.291 -0.576 30 20 DBED C[C@@H](C(=O)N[C@H]1CCN(c2nccnc2C#N)C1)S(C)(=O)=O 1096502750 UZSFHUAMUVKEJS-UWVGGRQHSA-N 323.378 -0.524 30 20 DBED COC(=O)NCC(=O)N1CC[C@H](Nc2cncc(C#N)n2)C1 1096921516 QZCISYOZXXSEOK-VIFPVBQESA-N 304.310 -0.283 30 20 DBED CCC(=O)NCC(=O)N1CC[C@H](Nc2ccc(C#N)nn2)C1 1096926932 FXXLDXZJSMYKTB-NSHDSACASA-N 302.338 -0.113 30 20 DBED CC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C[C@@H]1NC(=O)NC1=O 1097245561 YRUKKQIPBJKNKM-WYUUTHIRSA-N 304.350 -0.671 30 20 DBED CCN1CCO[C@H](C(=O)NC[C@H](C)Nc2nccnc2C#N)C1 1097875223 RHONPHOXGRWAFG-AAEUAGOBSA-N 318.381 -0.014 30 20 DBED C[C@@H](CNC(=O)c1ccc(C(N)=O)o1)N=c1cc[nH]c(C#N)n1 1098424448 GKWHJYXEIPKZEC-QMMMGPOBSA-N 314.305 -0.308 30 20 DBED C=CCN(CCO)C1CCN(C(=O)[C@H]2CCN(C)C2=O)CC1 1098456461 HRPGPGFCTUQXCJ-AWEZNQCLSA-N 309.410 -0.064 30 20 DBED Cn1c(O)ncc(C(=O)N[C@]23CCC[C@H]2CN(CC#N)C3)c1=O 1098971966 SSANPFOCXQCEAM-BONVTDFDSA-N 317.349 -0.406 30 20 DBED N#CCSCC(=O)N[C@@H]1CCN(Cc2cnon2)C[C@@H]1O 1099692820 HRLMGQSOWKFSBV-MNOVXSKESA-N 311.367 -0.622 30 20 DBED COCC#CCN1CC[C@H](NC(=O)Cc2cncnc2)[C@H](O)C1 1099796495 DMGPIGIMYYCCIC-LSDHHAIUSA-N 318.377 -0.780 30 20 DBED Cn1nccc1CN1CC[C@H](NC(=O)C#CC2CC2)[C@@H](O)C1 1099823937 MHVUODSANDEQTP-GJZGRUSLSA-N 302.378 -0.115 30 20 DBED N#CCN1CC[C@@H](NC(=O)CNC(=O)C2CCCC2)[C@H](O)C1 1099847448 MYLMODSJOCMMEW-CHWSQXEVSA-N 308.382 -0.632 30 20 DBED C=C(Cl)CN1CC[C@@H](NC(=O)C(C)(C)C(N)=O)[C@H](O)C1 1099882426 RMOUUGPLHDPRBT-NXEZZACHSA-N 303.790 -0.198 30 20 DBED CC(C)C1(C(=O)N[C@@H]2CCN(CC(=O)NCC#N)C[C@@H]2O)CC1 1099997376 VRWDMVPTCVRBEQ-OLZOCXBDSA-N 322.409 -0.386 30 20 DBED CCN(CCNC(=O)[C@@H](COC)OC)c1ccc(C#N)nn1 1100711931 HPENJGFUUNBJMP-GFCCVEGCSA-N 307.354 -0.048 30 20 DBED N#Cc1cnccc1N1CCC[C@@H]1CNC(=O)Cn1ncnn1 1100868190 QXJNIVQHKFAQJE-GFCCVEGCSA-N 312.337 -0.275 30 20 DBED CCCN(CCNC(=O)Cn1cnnn1)c1ccc(C#N)cn1 1101084856 QERIPHANNSXSCG-UHFFFAOYSA-N 314.353 -0.027 30 20 DBED Cn1cc(C(=O)NCCN(c2nccnc2C#N)C2CC2)nn1 1101338597 YSCFJJQSJUSMDX-UHFFFAOYSA-N 312.337 -0.124 30 20 DBED CN(CCNc1nccnc1C#N)C(=O)C1CS(=O)(=O)C1 1101794548 MZKUFEHPMIIUJC-UHFFFAOYSA-N 309.351 -0.737 30 20 DBED CN(CCNc1cncc(C#N)n1)C(=O)[C@@H]1CCC(=O)N1C 1101895357 LXJQZMLYCMCSRI-NSHDSACASA-N 302.338 -0.161 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CCCCN(c2ccc(C#N)nn2)C1 1102838242 PMSLZROFEYMXKW-CYBMUJFWSA-N 316.365 -0.041 30 20 DBED CC[C@H](CNC(=O)[C@H](C)NC(N)=O)Nc1ccc(C#N)nn1 1103045577 AWDJXQMGJIWNMJ-DTWKUNHWSA-N 305.342 -0.288 30 20 DBED CC[C@H](CNC(=O)C(=O)NCC1CC1)N=c1cc[nH]c(C#N)n1 1103166356 VGCXHASAIQPRRK-LLVKDONJSA-N 316.365 -0.397 30 20 DBED C[C@@H](CNC(=O)c1c[nH]c(=O)cn1)CNc1cncc(C#N)n1 1104167524 YLBQSEBTQRKPOG-SECBINFHSA-N 313.321 -0.090 30 20 DBED CNC(=O)CNCc1cn(C2CN(C(=O)C#CC(C)C)C2)nn1 1105238098 JYBKQKZUBSVXKB-UHFFFAOYSA-N 318.381 -0.844 30 20 DBED CN(CCN(C)c1cnc(C#N)cn1)C(=O)[C@@H]1COC(=O)N1 1105393388 UGSZIECBRFQHLA-JTQLQIEISA-N 304.310 -0.649 30 20 DBED Cc1cc(C(=O)NC[C@@H](O)CNc2cnc(C#N)cn2)nn1C 1105733140 JTGOESDFQXSQGD-NSHDSACASA-N 315.337 -0.407 30 20 DBED N#Cc1ccc(NC[C@H](O)CNC(=O)C2CCC(O)CC2)nn1 1105803599 FRLPWZLATWHGRZ-GDKBPFBDSA-N 319.365 -0.212 30 20 DBED N#Cc1cnc(NC[C@H](O)CNC(=O)c2c[nH]c(C#N)c2)cn1 1105830535 FVCJYNMKWDMGIL-LBPRGKRZSA-N 311.305 -0.249 30 20 DBED C#CCOCCC(=O)NC[C@H](O)CNc1ccc(C#N)nn1 1105967080 UQWQTTLXKLWZSV-GFCCVEGCSA-N 303.322 -0.723 30 20 DBED CN(C)C(=O)CC(=O)NC[C@@H](O)CNc1ncc(C#N)cc1F 1106132456 AVPUVINGPPJZBZ-SNVBAGLBSA-N 323.328 -0.540 30 20 DBED N#Cc1cnc(NC/C=C\CNC(=O)[C@@H]2CNC(=O)N2)c(F)c1 1107493100 ZMRGXQKIZIRFPX-BVBSBALXSA-N 318.312 -0.142 30 20 DBED C=CCOCC(=O)NC[C@@]1(C)CN(C[C@H](O)COC)CCO1 1107812242 ZKQBSETUZALTNT-ZFWWWQNUSA-N 316.398 -0.597 30 20 DBED C[C@H](CNc1nccnc1C#N)NC(=O)[C@@H]1CC(=O)N(C)C1 1108178307 SKEPYXGNRVAJHD-NXEZZACHSA-N 302.338 -0.257 30 20 DBED C[C@@H](CN=c1cc[nH]c(C#N)n1)NC(=O)c1cc(C(N)=O)c[nH]1 1108487676 XYFMPBROIYWZQM-QMMMGPOBSA-N 313.321 -0.572 30 20 DBED C=CCCCN1CC(N2C[C@@H](NC(=O)c3cnn[nH]3)CC2=O)C1 1108555205 ICTRAFIOJALLFO-NSHDSACASA-N 318.381 -0.214 30 20 DBED CCCN(C)CC(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1 1108587649 SWPJZBJKELPRSV-GFCCVEGCSA-N 307.398 -0.747 30 20 DBED C[C@@H](CNc1nccnc1C#N)NC(=O)CN1CCOCC1=O 1108754133 RLNQDNVZZQGDCF-JTQLQIEISA-N 318.337 -0.876 30 20 DBED C[C@@H](CN(C)c1cnc(C#N)cn1)NC(=O)c1cnn(C)n1 1109014653 INOPYVQHWUAOOQ-VIFPVBQESA-N 300.326 -0.269 30 20 DBED CC(=O)N(C)CC(=O)N[C@@H]1[C@H]2C[C@H]1N(c1cncc(C#N)n1)C2 1109682996 VPOQXYDOBXMQGU-JVLSTEMRSA-N 314.349 -0.480 30 20 DBED N#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCNC(=O)[C@H]1CCCO1 1110200537 LZEPLOUOGLRTSW-ZOBORPQBSA-N 320.393 -0.083 30 20 DBED CN(C)C(=O)CC(=O)NCC1(Nc2cncc(C#N)n2)CC1 1110362068 QQKQZCHGFBCLBF-UHFFFAOYSA-N 302.338 -0.113 30 20 DBED COC(=O)NCC(=O)N[C@]1(C)CCN(c2nccnc2C#N)C1 1110710989 QFLOYIBIXIXJHZ-CQSZACIVSA-N 318.337 -0.211 30 20 DBED CCOCC(=O)NC[C@]1(O)CCN(c2cnc(C#N)cn2)C1 1111022978 SNHLVLUUWMIYJT-CQSZACIVSA-N 305.338 -0.558 30 20 DBED CCCOCC(=O)N(C)[C@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1111184386 FLFBFNIIGIPTJN-STQMWFEESA-N 319.365 -0.217 30 20 DBED N#Cc1cnccc1N1CCC[C@@](CO)(NC(=O)CC(N)=O)C1 1111346292 GVRCORPKBIEEGR-OAHLLOKOSA-N 317.349 -0.724 30 20 DBED CNC(=O)NCC(=O)N1C[C@@H](C)[C@@H](N=c2cc[nH]cc2C#N)C1 1112340602 OOXFFRCELDVTAQ-MFKMUULPSA-N 316.365 -0.437 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(c2nc(C)ns2)C[C@@H]1O 1112702019 NIVBXXLGNFNWDC-QWRGUYRKSA-N 312.395 -0.038 30 20 DBED N#Cc1cncc(N2C[C@H](CNC(=O)C#CC3CC3)[C@@H](O)C2)n1 1112721275 XNIKLQYZBYNRQY-JSGCOSHPSA-N 311.345 -0.325 30 20 DBED C#CCOCCC(=O)N1CCN([C@@H]2CCN(CC=C)C2=O)CC1 1112843869 KPACUJGTYTYMPI-OAHLLOKOSA-N 319.405 -0.043 30 20 DBED C=C[C@](C)(CCOC)C(=O)N1CCN(CC(=O)NCC#N)CC1 1113161873 NAWSCKTWACJXRT-MRXNPFEDSA-N 322.409 -0.001 30 20 DBED CNC(=O)NCC(=O)NC[C@H](C)N(C)c1ccncc1C#N 1113939316 VGMYQOQYKBIRDT-JTQLQIEISA-N 304.354 -0.177 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)c3cncnc3C)[C@@H]2C1 1113942006 GBXZGJSMITZOGY-CHWSQXEVSA-N 315.377 -0.253 30 20 DBED C#CCNC(=O)CN1C[C@H]2C(NC(=O)Cc3ccc[nH]3)[C@@H]2C1 1115267697 JCGMJCORJFAIAM-CHWSQXEVSA-N 300.362 -0.647 30 20 DBED N#Cc1nc(=NCCCOCCNC(=O)c2cc[nH]n2)cc[nH]1 1115382241 ILECREWJMBAWDW-UHFFFAOYSA-N 315.337 -0.258 30 20 DBED C[C@@H](CN(C)C(=O)[C@H]1CCNC1=O)Nc1nccnc1C#N 1120406569 DBQSVXLQQOPABM-UWVGGRQHSA-N 302.338 -0.257 30 20 DBED CC[C@@H](NC(C)=O)C(=O)N(C)C[C@H](C)N=c1cc[nH]c(C#N)n1 1120685560 LCWDYAKRUNPFHN-CMPLNLGQSA-N 318.381 -0.056 30 20 DBED N#CCNC(=O)CNC1CC2(C1)CC(NC(=O)[C@@H]1CCOC1)C2 1120781849 LOPMJSZZXYBMPV-MPXNVAGNSA-N 320.393 -0.320 30 20 DBED Cc1cc(CC(=O)NC[C@H](CO)N=c2cc[nH]c(C#N)n2)no1 1121228262 DTNYZNNFRBKSHK-LLVKDONJSA-N 316.321 -0.802 30 20 DBED COC[C@H](C)C(=O)NC[C@H](CO)Nc1nc(C)cc(C#N)n1 1121324570 PCEKQLCHJGXMRG-JOYOIKCWSA-N 307.354 -0.172 30 20 DBED CN1CC[C@@H](C(=O)NC[C@@H](CO)Nc2ccc(C#N)nc2)C1 1121592256 ZJFPMEFYKACLCR-RISCZKNCSA-N 303.366 -0.206 30 20 DBED CCCN(C)CC(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1 1121887010 CFZKGZAVOJWKMF-LLVKDONJSA-N 306.370 -0.999 30 20 DBED N#Cc1c(F)cccc1N[C@@H](CO)CNC(=O)Cc1nc[nH]n1 1121995600 XGXZLBDMSQPYDG-SECBINFHSA-N 318.312 -0.053 30 20 DBED C[C@H](CC(=O)NC[C@@H](CO)Nc1ccc(C#N)nc1)NC(N)=O 1122071713 SRLFZYZQXMKRIH-SKDRFNHKSA-N 320.353 -0.711 30 20 DBED CN1CCCC[C@H]1C(=O)NC[C@@H](CO)Nc1cncc(C#N)n1 1122341819 JZBVZDGGXZCDKY-STQMWFEESA-N 318.381 -0.278 30 20 DBED CCc1n[nH]cc1C(=O)NC[C@H](CO)Nc1nccnc1C#N 1122831403 ZBURDYBTJVAZRS-SECBINFHSA-N 315.337 -0.163 30 20 DBED CN(C[C@@H](O)CNc1ccc(C#N)nn1)C(=O)c1ccncn1 1124466459 RFTAXIKXMGBBNB-NSHDSACASA-N 313.321 -0.317 30 20 DBED C=CCCO[C@H](C)C(=O)NCCNC[C@H](O)COCCOC 1124488768 UHUACGNSZOOMSV-KGLIPLIRSA-N 318.414 -0.303 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1ccnc2[nH]cnc12 1128390026 QTNRZOLLVHDRIV-SNVBAGLBSA-N 314.349 -0.585 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)[C@H]2OCCO[C@H]2C)C1=O 1129807093 ZAVNDEDUFVHHGN-XQQFMLRXSA-N 311.382 -0.717 30 20 DBED C#CCN[C@@H]1CN(C(=O)C2(COC)CC2)C[C@@H]1n1ccnn1 1129934008 KFKOKWXCXLCSSH-OLZOCXBDSA-N 303.366 -0.321 30 20 DBED C#CCCN[C@@H]1CN(C(=O)Cc2cnoc2)C[C@@H]1n1ccnn1 1129980215 DQAIDPYIQOFFQA-KGLIPLIRSA-N 314.349 -0.126 30 20 DBED C#CCNC[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](C)OC)n2)O1 1130765457 UAYAGYXFCKIGEO-GRYCIOLGSA-N 321.381 -0.101 30 20 DBED CO[C@@H](C)CC(=O)NCc1nc([C@@H]2COCCN2CC#N)n[nH]1 1130832288 VTLRMURQWBZCJA-QWRGUYRKSA-N 322.369 -0.257 30 20 DBED C=C(C)CN1CCNC(=O)CCN(C(=O)[C@@H](C)NC(C)=O)CC1 1131325410 DWGFRMOBVQLBRR-CYBMUJFWSA-N 324.425 -0.262 30 20 DBED COCC#CCN1C[C@H](NC(=O)Cn2ncnn2)CC[C@@H]1C 1132041781 KLEHJJURSJJSAG-QWHCGFSZSA-N 306.370 -0.708 30 20 DBED C[C@@H](C[C@@H](C)NCC(=O)NCC#N)NC(=O)c1cccc(O)n1 1134065470 OSUNEHOZJORTAK-MNOVXSKESA-N 319.365 -0.087 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)c1cnnn1CC 1134321272 GNBZXPOFMWKTIJ-VXGBXAGGSA-N 320.397 -0.466 30 20 DBED C=CCN[C@@H](C)C[C@H](C)NC(=O)CCn1cc[nH]c(=O)c1=O 1135688026 YSIOZJLXJCPVHK-RYUDHWBXSA-N 308.382 -0.014 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)c1cnc(OC)nc1 1146519460 LUEBAJUTSMZXHH-JTQLQIEISA-N 307.354 -0.505 30 20 DBED C#CCOc1ncccc1C(=O)NCCNCc1cn(C)nn1 1148302247 HZWMTKYFEDKGJE-UHFFFAOYSA-N 314.349 -0.258 30 20 DBED C#CCN1CCC(C(=O)NCCNCc2nc(O)n[nH]2)CC1 1152324723 ZEGDMPICPPWXDC-UHFFFAOYSA-N 306.370 -0.939 30 20 DBED C#CCOCCC(=O)NC[C@@H](C)N(CC)CC(=O)NCC#N 1153301902 BUJUDUVMKPFKSZ-CYBMUJFWSA-N 308.382 -0.507 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)C1CCN(C)CC1 1155015701 CHZUXAOEEZRSLJ-CQSZACIVSA-N 322.453 -0.096 30 20 DBED COCC#CCNCCCNC(=O)C[C@@H]1CCS(=O)(=O)C1 1162034502 LHXQHUOCHZJEIZ-ZDUSSCGKSA-N 316.423 -0.443 30 20 DBED C#CCNC(=O)CNCCCNC(=O)Cc1c(C)nn(C)c1C 1163528891 NHXISJOYVDYFFA-UHFFFAOYSA-N 319.409 -0.575 30 20 DBED CC#CCNCC1(CCNC(=O)C[C@@H]2NC(=O)NC2=O)CC1 1165545209 GANUREPBKQTZTH-NSHDSACASA-N 306.366 -0.516 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)CNC(=O)C3CCC3)C[C@@H]21 1177155856 BCKFLTYBGCTXOC-GJZGRUSLSA-N 319.405 -0.162 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2cc(C)on2)C1 1180838765 LZFJBHDFLMKISF-NWDGAFQWSA-N 304.350 -0.075 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 1182067580 OHBYQUKSCJDZAX-WCQYABFASA-N 313.361 -0.172 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H](OCC)C2CC2)C1 1182631317 KUWSEKHGLPUJFM-HIFRSBDPSA-N 307.394 -0.259 30 20 DBED N#CCNC(=O)CN[C@@H]1CCN(C(=O)c2c(F)cncc2F)C1 1182898229 RMWZWZRODDGFPE-SECBINFHSA-N 323.303 -0.196 30 20 DBED C#CCN[C@@H]1CCN(C(=O)CS(=O)(=O)N(CC)CC)C1 1186019966 UXBVLBRHIWYNAS-GFCCVEGCSA-N 301.412 -0.518 30 20 DBED C[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@@H](NCC(=O)NCC#N)C1 1186221490 LZXAIVJANYGXLL-VXGBXAGGSA-N 318.381 -0.581 30 20 DBED C=CCCN[C@@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)C1 1187069045 FVIDGUQWMXGRMQ-SNVBAGLBSA-N 302.338 -0.202 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)c2c[nH]c(C(N)=O)c2)C1 1187850703 HFTQRVDMLIIMMH-LLVKDONJSA-N 319.365 -0.780 30 20 DBED CN(CC(=O)NCC#N)[C@@H]1CCN(C(=O)c2cccn2C)C1 1188895316 FDZHLBULVNZCST-GFCCVEGCSA-N 303.366 -0.189 30 20 DBED C=CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2ncn(C)n2)C1 1189964280 RFANDKLROTVAIJ-LLVKDONJSA-N 306.370 -0.736 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2nn(C)cc2C)C1 1190067666 RPAIBUPHQOKREU-ZDUSSCGKSA-N 317.393 -0.376 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC[C@H]2CN(Cc3nnnn3C)C[C@H]21 1190441243 QRCAEEBHMMSNHA-RWMBFGLXSA-N 320.397 -0.166 30 20 DBED CCN(CCC#N)C(=O)CN1C[C@@H](O)[C@H](NC(=O)CC(C)C)C1 1190717397 HCKOWVCPZKKQIF-ZIAGYGMSSA-N 324.425 -0.044 30 20 DBED C#CCN(C)[C@@H]1CCN(C(=O)[C@@H](CCC)S(N)(=O)=O)C1 1191550281 AWSHXTPMVMLRHD-VXGBXAGGSA-N 301.412 -0.391 30 20 DBED C=CCOCC(=O)N[C@@H]1CN([C@H](C)C(=O)NCCC)C[C@H]1O 1191754670 CAPMUOBRQOYUGF-JHJVBQTASA-N 313.398 -0.735 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(CCNC(=O)C2CC2)C[C@H]1O 1192510398 KZWQTVKFCIOOIW-ZIAGYGMSSA-N 307.394 -0.523 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2ncccn2)C1 1192989812 YUGXUHZJRYNWIO-LBPRGKRZSA-N 303.366 -0.075 30 20 DBED Cc1conc1C(=O)N1CC[C@H](N(C)CC(=O)NCC#N)C1 1193291262 GZIGPRDIJRISFT-NSHDSACASA-N 305.338 -0.231 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1CN([C@H](C)c2nnnn2C)C[C@H]1O 1195312526 PMPXPCQOMXGILC-GMTAPVOTSA-N 308.386 -0.355 30 20 DBED N#Cc1cc(C(=O)N2CCCN(CC(=O)NC(N)=O)CC2)c[nH]1 1195534535 DJZQGYSKCXOAPL-UHFFFAOYSA-N 318.337 -0.771 30 20 DBED CC1(C)CC(CC(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@H]2O)C1 1195561551 RSRGZJLIJJZWAN-CHWSQXEVSA-N 322.409 -0.386 30 20 DBED COc1nc(C(=O)N2CCCN(CC(=O)NCC#N)CC2)co1 1196656169 NBLZRPVYSAIBAY-UHFFFAOYSA-N 321.337 -0.529 30 20 DBED C[C@@H](C(=O)N1CCCO[C@H](CNCC#N)C1)N1C(=O)CCC1=O 1200634831 MLHYZQXMCJFPDN-NWDGAFQWSA-N 322.365 -0.745 30 20 DBED CC#CCNC[C@H]1CN(C(=O)C[C@H]2CCNC2=O)CCCO1 1200681321 ZLBFIWMXDRFPMI-KGLIPLIRSA-N 307.394 -0.257 30 20 DBED N#CCNC(=O)CNC1CCN(C(=O)c2ccncn2)CC1 1203016275 WTKGDXMSLONYOF-UHFFFAOYSA-N 302.338 -0.689 30 20 DBED COCC#CCNC1CCN(C(=O)[C@H](C)N2CCOCC2)CC1 1204139892 CWSWIPMXBYREAP-HNNXBMFYSA-N 323.437 -0.063 30 20 DBED C[C@@H]1CN(Cc2nc(=O)n(C)[nH]2)C[C@H]1NC(=O)C#CC1CC1 1206948693 WXFYWVMXTDOMKS-ZYHUDNBSSA-N 303.366 -0.542 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCCN(C(=O)c2cn[nH]c2)C1 1207491197 ZVVGEJZBLMKBJG-WCQYABFASA-N 303.366 -0.258 30 20 DBED COCCCNC(=O)CN[C@@H]1CCCN(C(=O)[C@H](C)C#N)C1 1207687486 GKBMEYNVHYNGFP-CHWSQXEVSA-N 310.398 -0.121 30 20 DBED COCC#CCN1C[C@@H](NC(=O)Cn2ccc(C)n2)[C@H](OC)C1 1213452126 PNRVHWORNCVLKX-HUUCEWRRSA-N 320.393 -0.343 30 20 DBED C#CCCN1C[C@@H](NC(=O)CNC(=O)C(C)(C)C)[C@H](OC)C1 1213846204 WQAUSABGLPDPSZ-CHWSQXEVSA-N 309.410 -0.013 30 20 DBED C=CCCN[C@@H]1CN(C(=O)CNS(=O)(=O)N(C)C)C[C@H]1C 1215720105 ZCAAIRMCVFHRCN-VXGBXAGGSA-N 318.443 -0.605 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(CC(=O)N(C)C2CC2)C[C@@H]1O 1219523201 BSPMIWWKDKMHOB-KGLIPLIRSA-N 307.394 -0.428 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@@H](C)N(C)CC(F)(F)F)C1 1220211287 KCELAUYPQFJLJC-MXWKQRLJSA-N 307.316 -0.337 30 20 DBED N#CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3ccon3)[C@@H]2C1 1221321920 GVEHVOXNYVYCOD-ZYHUDNBSSA-N 303.322 -0.539 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)C3CC(OC)C3)[C@@H]2C1 1221635085 XUQLBJFRMWZYPB-XSCHDIRWSA-N 319.405 -0.307 30 20 DBED CCN(C[C@H]1CCOC1)C(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1261484843 LNRQTPKNZYAEJY-DOMZBBRYSA-N 309.366 -0.252 30 20 DBED CCS(=O)(=O)CC(=O)Nc1n[nH]c(CCCNC)c1C#N 1319649313 PWLFALPVMYEOPQ-UHFFFAOYSA-N 313.383 -0.193 30 20 DBED N#CCN1CCC(NC(=O)C(=O)NCCc2ccccn2)CC1 1321339816 VSSGSIVVXIKAAL-UHFFFAOYSA-N 315.377 -0.156 30 20 DBED C=CCCC[C@H](C)NC(=O)C(=O)NC[C@H]1CC[C@H](C(N)=O)O1 1322821491 WPXDCDYIILEFKX-QJPTWQEYSA-N 311.382 -0.004 30 20 DBED C=C(C)CN1CCC(NC(=O)C(=O)N(C)[C@H]2CCNC2=O)CC1 1323249301 YQOKXWFCPAJMBW-ZDUSSCGKSA-N 322.409 -0.510 30 20 DBED C=C(C)COCCNC(=O)C(=O)NC[C@@H]1COC(C)(C)O1 1325529560 GOYYRTIHTZVNNF-LLVKDONJSA-N 300.355 -0.037 30 20 DBED CC#CC[C@@H](CO)NC(=O)C(=O)Nc1cccn(CC)c1=O 1326058939 ZDLMCIDTRCVKPS-NSHDSACASA-N 305.334 -0.303 30 20 DBED C=CCOCCNC(=O)C(=O)N1CCCN(C(=O)CC)CC1 1327424021 SWQRKFHZDRUBGO-UHFFFAOYSA-N 311.382 -0.224 30 20 DBED CCCCN(CCO)C(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1331881989 WFBHZWMZRHWACS-AWEZNQCLSA-N 322.409 -0.194 30 20 DBED COCc1nc2n(n1)C[C@H](NS(=O)(=O)CCCC#N)CC2 1332313448 ZTOGLTGLDJMMAA-SNVBAGLBSA-N 313.383 -0.038 30 20 DBED N#Cc1cn(CCC(=O)N2CCc3n[nH]cc3C2)c(=O)nc1O 1361771214 MYDCDFIDWINGSA-UHFFFAOYSA-N 314.305 -0.481 30 20 DBED N#CCCN1CCN(CC2(O)CCS(=O)(=O)CC2)CC1 1363290684 ICVORXLUQYMPOG-UHFFFAOYSA-N 301.412 -0.543 30 20 DBED CCCN(CCNC(=O)c1cn(C)c(=O)n1C)C(=O)[C@H](C)C#N 1374137564 BHVLGIGSAFFXQQ-LLVKDONJSA-N 321.381 -0.148 30 20 DBED CCN1CCO[C@@H](C(=O)NCC2(NC(=O)[C@H](C)C#N)CC2)C1 1378847118 NFTDPPNSYKUWMO-VXGBXAGGSA-N 308.382 -0.368 30 20 DBED CN(C[C@H](O)CNCc1nncn1C)C(=O)c1cc(C#N)c[nH]1 1382395642 FQQLLGQESJRVFI-LLVKDONJSA-N 317.353 -0.762 30 20 DBED CCc1nn(C)cc1C(=O)N(C)C[C@H](O)CNC(=O)[C@@H](C)C#N 1384229902 UNHRRZSQGSAUJW-WDEREUQCSA-N 321.381 -0.309 30 20 DBED C[C@@H](CNC(=O)Cc1nnn(C(C)(C)C)n1)NC(=O)[C@@H](C)C#N 1393048654 SVIZLEMBMDFVHX-UWVGGRQHSA-N 321.385 -0.249 30 20 DBED CO[C@H](C)C(=O)N1CCN(CCN(C)C(=O)[C@H](C)C#N)CC1 1398469766 XTSPIEJIIYDCBH-CHWSQXEVSA-N 310.398 -0.216 30 20 DBED C[C@H](C#N)C(=O)NC1CN(C(=O)C[C@H]2CCS(=O)(=O)C2)C1 1398692709 PKLOIHNKCMMGSZ-NXEZZACHSA-N 313.379 -0.702 30 20 DBED CNC(=O)NCC(=O)NCC1(NC(=O)[C@H](C)C#N)CCCC1 1399147317 GEFIROVVXYSEHL-SNVBAGLBSA-N 309.370 -0.380 30 20 DBED C[C@@H](C#N)C(=O)NC1CN(C(=O)CN2CCCCCC2=O)C1 1409101210 KONQWRCZOSFZAF-NSHDSACASA-N 306.366 -0.124 30 20 DBED N#Cc1ncn(CCNC(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)n1 1414587915 WWYNHGLFUMTZGG-BXUZGUMPSA-N 320.353 -0.213 30 20 DBED Cn1c(C#N)ccc1C(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 1416917403 CZNUDNFESZUVAZ-JTQLQIEISA-N 310.379 -0.092 30 20 DBED CCCNC(=O)NC(=O)CN(CCNC(=O)[C@@H](C)C#N)C1CC1 1420631876 IRLQUZMFZLQIKE-NSHDSACASA-N 323.397 -0.038 30 20 DBED C[C@@H](C(=O)NC(N)=O)N(C)CC1CCN(C(=O)[C@H](C)C#N)CC1 1420936503 RRPWDJWZFXMFHS-MNOVXSKESA-N 323.397 -0.100 30 20 DBED CN(CCNC(=O)c1cc(C#N)c[nH]1)C(=O)[C@H]1CCCC(=O)N1 1429220616 VIFGXHQUCCBWAU-LLVKDONJSA-N 317.349 -0.257 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)c1cc(N(C)C)ccn1 1433326424 ZXPJZJDNLZVSAQ-ZYHUDNBSSA-N 319.365 -0.486 30 20 DBED C[C@H]1CN=C(NC(=O)CCn2cc(C#N)c(O)nc2=O)S1 1451873859 BNIRTIMQRGOCJE-ZETCQYMHSA-N 307.335 -0.182 30 20 DBED Cn1cc(N2CC[C@@H](Nc3[nH]c(=O)n(C)c(=O)c3C#N)C2)cn1 1458204472 RNZNOCDIFZKVCJ-SECBINFHSA-N 315.337 -0.630 30 20 DBED Cn1c(=O)[nH]c(N2CCC3(CC2)CNC(=O)O3)c(C#N)c1=O 1458668108 PTWZKBCOURFVPD-UHFFFAOYSA-N 305.294 -0.976 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N1CCN(c2nc[nH]n2)CC1 1464448429 FHTHLYJFDOJCAF-JTQLQIEISA-N 313.387 -0.595 30 20 DBED N#Cc1cccc(CN2CC(O)(CNC(=O)c3cnn[nH]3)C2)c1 1484280854 LNPXESZHYFZBKA-UHFFFAOYSA-N 312.333 -0.347 30 20 DBED N#Cc1cn(CC(=O)N[C@H]2CC[C@@H](CC(=O)O)C2)c(=O)nc1O 1571146210 UDOUWANEPLORPD-SCZZXKLOSA-N 320.305 -0.420 30 20 DBED C=C(C)[C@@H](CC(=O)N1CC(NC(=O)CNC(=O)O)C1)OCC 1573322423 YLYVOYJFLISLGT-LLVKDONJSA-N 313.354 -0.048 30 20 DBED C[C@H](C(=O)Nc1cccc(C#N)n1)n1cnc(-c2nn[nH]n2)n1 1573755547 DWRMKJJMLNXWRE-SSDOTTSWSA-N 310.281 -0.075 30 20 DBED CNC[C@H](O)[C@@H](C)C(=O)N1CCN(c2ccc(C#N)nc2)CC1 1578641707 XCWXRNJVVMVNNT-DOMZBBRYSA-N 317.393 -0.182 30 20 DBED C#CC(=O)N[C@@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)C1=O 1588324781 IUWOQDKABBLZGE-GFCCVEGCSA-N 310.317 -0.283 30 20 DBED C#CC[C@@H](NC(=O)c1cc(C)ccc1S(N)(=O)=O)C(=O)O 1588414016 MPKBWJBWNWCBSU-SNVBAGLBSA-N 310.331 -0.151 30 20 DBED C#CCNC(=O)CN1C[C@@H](C(=O)O)C[C@H](c2cnn(C)c2)C1 1588431515 ZOLICBZULANIHW-RYUDHWBXSA-N 304.350 -0.340 30 20 DBED C[C@H](C(=O)OCCOCCC#N)n1cnc(-c2nn[nH]n2)n1 1589031183 UXMIZXQFKRGQCK-MRVPVSSYSA-N 306.286 -0.507 30 20 DBED N#C[C@@H]1CSCCN1Cn1cccc(-c2nn[nH]n2)c1=O 1592671889 RFOFULDZDBKEHN-SECBINFHSA-N 303.351 -0.073 30 20 DBED CC[C@H](CNC(=O)C(=O)Nc1ccn(CCC#N)n1)C(=O)O 1595134941 GIZLCOKMFZKYDW-SECBINFHSA-N 307.310 -0.038 30 20 DBED N#CCN1CCN(S(=O)(=O)c2cc(C(=O)O)ccn2)CC1 1601074577 GSZMVQJEOZHWLV-UHFFFAOYSA-N 310.335 -0.390 30 20 DBED N#Cc1ccc(NCC(=O)N2CCC[C@H](O)[C@H]2C(=O)O)nc1 1601108317 MEOGBFAKMZOGKT-GWCFXTLKSA-N 304.306 -0.198 30 20 DBED C#CC[C@H](NC(=O)c1cn(C)c2c(cnn2C)c1=O)C(=O)O 1602693041 DMNUHIAFXLKWRS-JTQLQIEISA-N 302.290 -0.522 30 20 DBED C#CCN(CC(=O)O)c1nnnn1CCO[C@@H]1CC1(F)F 1602700702 FPTCICMSKQXFAW-MRVPVSSYSA-N 301.253 -0.379 30 20 DBED CCn1cc(C#N)c(=O)n(CC(=O)N[C@H](C(=O)O)C(C)C)c1=O 1605915034 BUBDQSLURIYQBZ-NSHDSACASA-N 322.321 -0.873 30 20 DBED N#CCC(=O)N1CCN(C(=O)c2ccnc(C(=O)O)c2)CC1 1608178686 AAQCNWUPMXBSPK-UHFFFAOYSA-N 302.290 -0.022 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)NCCN1CCN(CC#N)CC1 1752375322 XTPWZMZMNXEFKB-OAHLLOKOSA-N 321.425 -0.285 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@H](NCc1nc(O)n[nH]1)C1CC1 1752461214 XVFMEKOMVZSSBU-HZMBPMFUSA-N 309.370 -0.178 30 20 DBED C=CCNC(=O)[C@H](C)N1CC(CNC(=O)[C@H]2CCC(=O)NC2)C1 1753406318 QKMRBEJHLZRLQN-AAEUAGOBSA-N 322.409 -0.749 30 20 DBED C=CCNC(=O)[C@H](C)N1CC(CNC(=O)C(=O)NCC2CC2)C1 1753413236 VVVAFJNCEWOLJQ-NSHDSACASA-N 322.409 -0.749 30 20 DBED C=CCNC(=O)NC(=O)CNC[C@@H](C)N(C)C(=O)c1ncc[nH]1 1753688896 FOYXWOGFPJXOFR-SNVBAGLBSA-N 322.369 -0.528 30 20 DBED CC#CCNC[C@H](O)CNC(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1 1753911758 AIPCKDRHSPNHNU-OLZOCXBDSA-N 309.410 -0.277 30 20 DBED C#CCNC(=O)CN1CC(O)(CNC(=O)c2cccc(F)c2)C1 1754764210 SOZPMHCVJWWZSH-UHFFFAOYSA-N 319.336 -0.648 30 20 DBED C#CCNC(=O)[C@@H](C)NC[C@@H]1CN(C(=O)CCCF)CCO1 1755010292 BOPURPBJZXLGGH-CHWSQXEVSA-N 313.373 -0.309 30 20 DBED CC(C)C#CC(=O)N1CCC[C@](CO)(NCC(=O)NC2CC2)C1 1755085079 YKKRWKVSFHYCSM-KRWDZBQOSA-N 321.421 -0.133 30 20 DBED C#CCCN(C)[C@@H](C)CNC(=O)[C@@H]1Cc2cncn2C(=O)N1 1755309507 CCGPRXBRAARYQC-AAEUAGOBSA-N 303.366 -0.175 30 20 DBED CNC(=O)NCC(=O)NC[C@@H]1CCCCCN1CC#CCOC 1755363072 BGNHCHSSNDCSHY-AWEZNQCLSA-N 324.425 -0.074 30 20 DBED C#CCNC(=O)CN[C@H](C)CN(C)C(=O)c1nn(C)cc1C 1755586117 HCPQJBSBFWOPNB-GFCCVEGCSA-N 305.382 -0.472 30 20 DBED CN(C[C@@H](O)CNCC#N)C(=O)c1ccccc1-n1ccnn1 1755796426 QJHMYCLQIXTQDR-LBPRGKRZSA-N 314.349 -0.187 30 20 DBED Cc1nccc(C(=O)N(C)C2CC(NCC(=O)NCC#N)C2)n1 1755865073 OORBJZJJBWNLEX-UHFFFAOYSA-N 316.365 -0.383 30 20 DBED C#Cc1ccc(C(=O)N[C@H](CO)CNC(=O)c2ncc[nH]2)cn1 1756517741 NNVRNMSDIKASAZ-LBPRGKRZSA-N 313.317 -0.693 30 20 DBED C[C@@H](C#N)C(=O)NCC1=CCN(C(=O)[C@H]2CCN(C)C2=O)CC1 1756782771 BPBHKRMVZMHIBJ-AAEUAGOBSA-N 318.377 -0.101 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(C(=O)Cc2ccc[nH]2)C[C@@H]1O 1757171364 PPESCEBMNLJVQX-KGLIPLIRSA-N 303.362 -0.096 30 20 DBED C[C@H](C(=O)N1CCCC12CN(C(=O)CC#N)C2)n1cncn1 1846598508 PEMDIHYITDEHBQ-LLVKDONJSA-N 302.338 -0.044 30 20 DBED CC1(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C#CC(=O)O)COC1 1847341597 ZGWPHSPSSPWNJW-QWRGUYRKSA-N 306.318 -0.687 30 20 DBED C[C@H]1CN(c2nccnc2C#N)CCN1CCCS(N)(=O)=O 176373823 KZGCGQYPAMYVSI-NSHDSACASA-N 324.410 -0.463 30 20 DBED C[C@H](CO)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 269317459 BWOYBVQVVMSDDW-NXEZZACHSA-N 311.363 -0.278 30 20 DBED C=C(C)[C@@H](CC(=O)N1CCN(S(N)(=O)=O)CC1)OCC 270127850 XALGSDOLACMGPM-LLVKDONJSA-N 305.400 -0.295 30 20 DBED C=C[C@H](CO)NC(=O)[C@@H](CC(N)=O)NC(=O)OC(C)(C)C 290504713 GHTYPHKSFAEZCM-RKDXNWHRSA-N 301.343 -0.582 30 20 DBED CC(C)(O)CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 290977035 ZMIYFNBTTNCZPB-UHFFFAOYSA-N 311.363 -0.276 30 20 DBED C=CCN(C(=O)[C@H]1COCCN1C)[C@@H]1CCS(=O)(=O)C1 328946724 GNYDDWIJCLDDLB-VXGBXAGGSA-N 302.396 -0.481 30 20 DBED CCS(=O)(=O)NCC/N=C(/O)N[C@@H]1CCC(=O)N(C)C1 330704577 KAQVMIWXOFWUJN-SECBINFHSA-N 306.388 -0.950 30 20 DBED COC(=O)c1cn(CC/N=C(/O)N2C[C@@H](C)[C@H](CO)C2)nn1 330762532 OUBBXQCMFGVWTP-ZJUUUORDSA-N 311.342 -0.461 30 20 DBED CC[C@H]1CN(S(=O)(=O)N(C)CCC#N)CCN1C[C@H](C)O 331280103 QFMTYLLIZFLQQQ-STQMWFEESA-N 318.443 -0.146 30 20 DBED COCC1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 337101361 WACUVTWJIVUEBH-LBPRGKRZSA-N 303.384 -0.186 30 20 DBED C=CCCOCCNC(=O)C(=O)N[C@H]1CCC[C@@H]1C(=O)NC 342002470 KEINUUOZWZTBKM-RYUDHWBXSA-N 311.382 -0.274 30 20 DBED N#CCNC(=O)CNC(=O)c1ccc(C(=O)NC2CC2)cc1 344152583 MBROVESFEOPDOP-UHFFFAOYSA-N 300.318 -0.052 30 20 DBED COCCCS(=O)(=O)NCC(=O)N(C)CC(C)(C)C#N 353285922 CKGQPYZKJVVQEV-UHFFFAOYSA-N 305.400 -0.050 30 20 DBED N#Cc1ccc([C@H](NCCNC(=O)c2cnccn2)C(N)=O)cc1 360062638 XSQNYDKNSZXULB-AWEZNQCLSA-N 324.344 -0.106 30 20 DBED CCOC(=O)c1cn(C)nc1NC(=O)c1cnn(C)c1C#N 361841898 HTIPKNPILQDNNC-UHFFFAOYSA-N 302.294 0.454 30 20 DBED CNS(=O)(=O)[C@@H]1CCN(CC(=O)N[C@](C)(C#N)C2CC2)C1 372150733 PTHALURTUSODTC-DGCLKSJQSA-N 314.411 -0.582 30 20 DBED C#CCCS(=O)(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O 377364479 VDRSASICAMVKEM-NSHDSACASA-N 310.379 -0.142 30 20 DBED COCC(=O)N1CCN(S(=O)(=O)N(C)C[C@H](C)C#N)CC1 407952355 GLANYTFEFGBHHS-LLVKDONJSA-N 318.399 -0.887 30 20 DBED N#CCCCS(=O)(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 408076352 HNRQYNYIADOHBB-GFCCVEGCSA-N 315.395 -0.057 30 20 DBED CS(=O)(=O)N1CCC[C@@H](NC(=O)N2CCO[C@@H](C#N)C2)C1 408096439 BVDGBBPVROMDRU-MNOVXSKESA-N 316.383 -0.656 30 20 DBED C=CCNC(=O)CN1CCN(Cc2nc(C(C)(C)N)no2)CC1 431066810 OFJYWFPCDBLTLW-UHFFFAOYSA-N 322.413 -0.317 30 20 DBED CC(C)[C@@H]1CN(c2c(C#N)c(=O)n(C)c(=O)n2C)CCN1C 487039379 BMRYLPFSHSOHDC-LBPRGKRZSA-N 305.382 -0.268 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CCOC[C@@H]2C)CC1 491815121 UJERFJRCOLZIRL-KBPBESRZSA-N 307.394 -0.447 30 20 DBED COc1cc(C#N)ccc1NC(=O)C(=O)N1CCNC(=O)[C@@H]1C 527125567 XNCXSIRPFVXFLJ-VIFPVBQESA-N 316.317 -0.148 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C)[C@H](C)[C@@H]2C)C1=O 540019457 YUDDOXBEKHQXEK-MNOVXSKESA-N 322.365 -0.486 30 20 DBED COC(=O)CNC(=O)CNC(=O)CCc1ccc(C#N)cc1 552013645 UREPYVJCNKKZFY-UHFFFAOYSA-N 303.318 -0.104 30 20 DBED Cc1cc(C#N)ccc1S(=O)(=O)N[C@]1(C(N)=O)CCOC1 568413576 JWZKAIPECMXYLO-CYBMUJFWSA-N 309.347 -0.211 30 20 DBED N#Cc1cc(F)ccc1S(=O)(=O)N1C[C@H](O)[C@@H](CO)C1 569745700 ZVZAMUDOURONKS-KOLCDFICSA-N 300.311 -0.329 30 20 DBED C=CCNC(=O)c1ccc(N2CCN3C(=O)[C@@H](N)C[C@H]3C2)nc1 578766870 JKTJPFKQBVJTSD-STQMWFEESA-N 315.377 -0.254 30 20 DBED N#CC1(CNC(=O)NCCNS(=O)(=O)c2cccnc2)CC1 579789818 YABOWABGGSFNEG-UHFFFAOYSA-N 323.378 -0.037 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)NC[C@](C)(CO)CC(=O)O 583444021 KPYKEQMFEONCJR-GXSJLCMTSA-N 307.372 -0.472 30 20 DBED CC(C)(CNC(=O)CN1CC[C@](O)(CC#N)C1)N1CCOCC1 592147413 LMVBNALIHKAHJE-MRXNPFEDSA-N 324.425 -0.436 30 20 DBED CN(CCC#N)S(=O)(=O)N1CCN(Cc2nc[nH]n2)CC1 593652797 NDXQRNPIEQXZHU-UHFFFAOYSA-N 313.387 -0.987 30 20 DBED N#Cc1cnnc(Nc2ccn(CC(=O)N3CCOCC3)n2)c1 596131221 KHDLBNAMMXRIMH-UHFFFAOYSA-N 313.321 0.147 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC(C(F)(F)F)C2)C1=O 669329890 NODFPPDUHCANAP-UHFFFAOYSA-N 319.239 -0.016 30 20 DBED C#CCNC(=O)[C@H](C)OC(=O)c1cn2nc(C)cc2[nH]c1=O 750215309 PXEGAYXOGUNGIQ-VIFPVBQESA-N 302.290 -0.374 30 20 DBED CN1C[C@@H](NC(=O)NCCNc2ccc(C#N)cn2)CC1=O 750635589 SYHLSMIISNHQSO-NSHDSACASA-N 302.338 -0.105 30 20 DBED Cn1c(N)c(C=NNCc2ccc(C#N)cc2)c(=O)n(C)c1=O 769815264 NUUFGZGQKALFKP-UHFFFAOYSA-N 312.333 -0.338 30 20 DBED C#CCNC(=O)[C@@H](C)OC(=O)c1ccnc(S(N)(=O)=O)c1 772425872 PPFDAJPRDGJLNF-MRVPVSSYSA-N 311.319 -0.976 30 20 DBED C=CCNC(=O)CNS(=O)(=O)c1ccc2c(c1)C(=O)OC2 776884146 ABBJUPGDSQPTFH-UHFFFAOYSA-N 310.331 -0.063 30 20 DBED C#CCOc1ccc(F)cc1NC(=O)C(=O)N[C@@H]1CNC(=O)C1 784869142 QYLZXPXHSIGUJL-JTQLQIEISA-N 319.292 -0.219 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)C[C@@H]2CCCOC2)CC1 793412873 DGPBSGAKGLIRML-AWEZNQCLSA-N 307.394 -0.303 30 20 DBED C#CCNC(=O)CCN[C@H]1C[C@H](C)N(c2cnn(C)c2)C1=O 819123698 ZZZPSHNCDRZMFR-AAEUAGOBSA-N 303.366 -0.357 30 20 DBED C#CC[C@@H](CO)NC(=O)c1cc(S(=O)(=O)N(C)C)cn1C 854543583 CWEASHDYQCATJY-JTQLQIEISA-N 313.379 -0.611 30 20 DBED C#CCNS(=O)(=O)N1CCN(C[C@@H]2CCSC2)CC1 895922094 QMJODBWWLDXAFG-LBPRGKRZSA-N 303.453 -0.175 30 20 DBED CNC(=O)[C@H](C#N)C(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O 917005266 QDJVLUPVWDZVOU-WMFXKJRFSA-N 320.349 -0.058 30 20 DBED C#CCN1CCC(NC(=O)CS(=O)(=O)CCOC)CC1 928656813 HJDKCBBYYPPPTN-UHFFFAOYSA-N 302.396 -0.739 30 20 DBED O=C(C[C@@H]1CCNC1=O)N[C@@H]1CCN(C(=O)C#CC2CC2)C1 940887943 UAKRAMUBESHAOW-QWHCGFSZSA-N 303.362 -0.357 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2cnc(O)n(C)c2=O)[C@H](C)C1 942555728 OYVWPSFLARRSPW-DGCLKSJQSA-N 318.377 -0.051 30 20 DBED N#Cc1ccc(C(=O)N2C[C@H]3C[C@H]2[C@H]3NC(=O)c2cnn[nH]2)[nH]1 947489642 IWVVBJSJRQJGHH-MKCWBWRRSA-N 311.305 -0.353 30 20 DBED C=C(Cl)CN1CCN(C(=O)CN2CCOCC2=O)CC1 948781262 IAXZIEGEOZIAFY-UHFFFAOYSA-N 301.774 -0.258 30 20 DBED CN(C(=O)[C@@H]1COC(=O)N1)C1CN(C(=O)c2c[nH]c(C#N)c2)C1 954189141 IHVKXYAUOYWUDU-NSHDSACASA-N 317.305 -0.722 30 20 DBED COc1ncc(C(=O)N(C)C2CN(C(=O)[C@H](C)C#N)C2)cn1 955205347 CMXWEWCANANCGM-SECBINFHSA-N 303.322 -0.072 30 20 DBED C[C@@H]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)CC(N)=O 955590425 BWQNUYCJXUKFAQ-MWLCHTKSSA-N 317.349 -0.129 30 20 DBED C=CCCN1C[C@H](CNC(=O)c2cccn3nnnc23)[C@@H](O)C1 958092764 XVYSEGSTTCAJBH-AAEUAGOBSA-N 316.365 -0.277 30 20 DBED CC#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cc(CN(C)C)on2)C1 958200235 OSOSTAADISYAGP-SWLSCSKDSA-N 320.393 -0.218 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2ccnc3[nH]c(C)nc23)C1 958271853 JFFFTWIKNKUABK-DGCLKSJQSA-N 313.361 -0.078 30 20 DBED N#Cc1ccc(C(=O)N[C@H]2[C@@H]3CN([C@H]4CCCNC4=O)C[C@@H]32)[nH]1 958589822 GVTGWUIWHYZUAX-UZGDPCLZSA-N 313.361 -0.175 30 20 DBED CNC(=O)c1cccc(C(=O)NC[C@H]2CN(CC#N)C[C@@H]2O)c1 958694903 KFWINIPNSMJXCL-KBPBESRZSA-N 316.361 -0.408 30 20 DBED O=C(C[C@@H]1CCCO1)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 961681337 CVDXKQVRIOIKSE-MJBXVCDLSA-N 306.362 -0.343 30 20 DBED C#CCN1CCO[C@@]2(CCN(C(=O)c3coc(C(N)=O)c3)C2)C1 972480540 OHBXQTGECBTJQE-INIZCTEOSA-N 317.345 -0.071 30 20 DBED C#CCCN1CCO[C@]2(CCN(C(=O)[C@H]3CCNC3=O)C2)C1 972494978 VUGZFPUIXYAVMT-XJKSGUPXSA-N 305.378 -0.551 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)[C@H]3CN(CC)CCO3)C2)C1 972682970 KHBRWMDAULINPR-NVXWUHKLSA-N 321.421 -0.356 30 20 DBED NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]21 977203934 GQGZZRYBVIREGE-MOWSAHLDSA-N 301.346 -0.906 30 20 DBED C#CCCN1C[C@H](NC(=O)CN2C(=O)CNC2=O)C(C)(C)C1 977574109 JAVISDZOKLKCER-NSHDSACASA-N 306.366 -0.612 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](CNC(=O)c2cncnc2O)C1 983212916 SSBYCSNKXANCJN-UWVGGRQHSA-N 303.322 -0.080 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CCCN(C(=O)C(N)=O)C1 984579249 UKNAUKNJVSCZLR-UTUOFQBUSA-N 309.366 -0.488 30 20 DBED C[C@@H]1[C@H](NCC#N)CCN1C(=O)CN1C(=O)NC(C)(C)C1=O 987459244 KFTDBRRWUQARAU-NXEZZACHSA-N 307.354 -0.581 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)c2nccnc2N)[C@H]1C 987473519 DRGYRJISTPXMNC-AEJSXWLSSA-N 302.338 -0.062 30 20 DBED C[C@@H]1C[C@H](NCc2nnn(C)n2)CN1C(=O)c1cc(C#N)c[nH]1 988499408 GNQHALMRPSWEDE-KOLCDFICSA-N 314.353 -0.197 30 20 DBED N#Cc1cc(C(=O)NC2CC(CNC(=O)c3cnn[nH]3)C2)c[nH]1 992220859 BSELONWVCKCXKT-UHFFFAOYSA-N 313.321 -0.057 30 20 DBED N#Cc1cc(C(=O)NC2CC(CNC(=O)c3nc[nH]n3)C2)c[nH]1 992300738 GZWRXYYIAGWEFD-UHFFFAOYSA-N 313.321 -0.057 30 20 DBED C=CCN[C@@H]1CCC[C@H]2CN(C(=O)CN3C(=O)CNC3=O)C[C@H]21 992903743 RSMPMRMNKWHUNV-YNEHKIRRSA-N 320.393 -0.059 30 20 DBED CC1(C)NC(=O)N(CC(=O)N2C[C@@H](NCC#N)C(C)(C)C2)C1=O 996581582 BJNNDGGPQSHKLU-SNVBAGLBSA-N 321.381 -0.333 30 20 DBED C[C@H](C#N)C(=O)N1CC(CNC(=O)c2ccn(C)c(=O)c2)C1 1003065900 PVLJEAULNYZRAY-SNVBAGLBSA-N 302.334 -0.267 30 20 DBED COCCn1cc(C(=O)NCC2CN(C(=O)[C@H](C)C#N)C2)cn1 1003647697 WJZPTJJQAOOVCP-LLVKDONJSA-N 319.365 -0.123 30 20 DBED CC#CCN1CCC(N(C)C(=O)Cn2cnc(C(N)=O)n2)CC1 1005416654 WYZNFEQYTCEPGT-UHFFFAOYSA-N 318.381 -0.677 30 20 DBED C[C@H](C#N)C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1c[nH]c(=O)cn1 1005587384 RQRPDUKEOBWGOA-BFLSOPEQSA-N 315.333 -0.209 30 20 DBED CC#CCN1CCC[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)C1 1009190419 RMAZGBMLDVUGLK-GFCCVEGCSA-N 306.366 -0.516 30 20 DBED N#Cc1c[nH]c(C(=O)N2CCN(C(=O)[C@@H]3COCCO3)CC2)c1 1010411997 OBDOIVNVFZAGRG-ZDUSSCGKSA-N 318.333 -0.414 30 20 DBED N#Cc1cc(C(=O)N[C@H]2CCN(CC(=O)NC3CC3)C2)c[nH]1 1010688604 JFAVOKLAOOSLTR-LBPRGKRZSA-N 301.350 -0.031 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN(C(=O)CC(N)=O)CC1 1010810702 HUSIUEOVVVBQAJ-FZMZJTMJSA-N 309.366 -0.486 30 20 DBED C=CCN1CC[C@@H](N2C[C@@H]3CC[C@H](C2)N3C(=O)CC(N)=O)C1=O 1017431308 CXFVOKJDBJSCFK-FRRDWIJNSA-N 320.393 -0.676 30 20 DBED Cc1nn(CC(=O)N2[C@H]3CC[C@H]2CN(CC#N)C3)c(=O)n1C 1018226594 MJPSYOICXCECIY-RYUDHWBXSA-N 304.354 -0.911 30 20 DBED C#CCOc1ncccc1C(=O)N1CC[C@H](N[C@H](C)C(N)=O)C1 1019673372 PDWJFGCOBIHLOL-NEPJUHHUSA-N 316.361 -0.229 30 20 DBED N#Cc1c[nH]c(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC34CC4)C[C@H]2O)c1 1023335625 PENHEMLOMBHVAC-RAIGVLPGSA-N 314.345 -0.012 30 20 DBED N#Cc1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC3(F)F)C2)[nH]1 1023612810 MZQWDXBJDBCMCE-FBIMIBRVSA-N 324.287 -0.157 30 20 DBED C#CCCN1CCC[C@H]1CNC(=O)[C@H]1CN(C(C)=O)CCO1 1028295956 XABBZGFRJIUEAG-LSDHHAIUSA-N 307.394 -0.162 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2CCN([C@@H](CC)C(N)=O)C2)nn1 1028852679 MDHFXNYAPOHZSF-AAEUAGOBSA-N 320.397 -0.220 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)NCC1CN([C@@H]2CCNC2=O)C1 1031679722 GWAOETMRMLIREV-MCIONIFRSA-N 307.394 -0.096 30 20 DBED C=C(C)CN1CCO[C@H](CNC(=O)[C@H]2CCS(=O)(=O)C2)C1 1035440754 ZBFBIXJBFCGICQ-QWHCGFSZSA-N 316.423 -0.186 30 20 DBED Cn1cnc2ccc(C(=O)NC[C@H]3CN(CC#N)CCO3)nc21 1035506649 VRVWRGHVKFNENV-NSHDSACASA-N 314.349 -0.078 30 20 DBED Cn1nnnc1CN1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1ccc(C#N)[nH]1 1037364395 GNZMSBXOLCNLJX-YDEJPDAXSA-N 312.337 -0.587 30 20 DBED N#Cc1ccc(CN2C[C@H]3C[C@H]2[C@@H]3NC(=O)C(N)=O)cc1F 1037564589 PJBYPPPEJAQVOR-KGYLQXTDSA-N 302.309 -0.128 30 20 DBED CO[C@@H](C(=O)NC[C@@]1(O)CCN(C(=O)C#CC2CC2)C1)C1CC1 1039595935 HIXVKVFYCCSRNN-WBVHZDCISA-N 320.389 -0.096 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@]1(O)CCN(C(=O)COCC)C1 1039722125 RSXGZSNMRJCKHM-IUODEOHRSA-N 312.366 -0.859 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@]1(O)CCN(C(=O)c2cocn2)C1 1039722690 YCFZCOJLDIGZDA-NHYWBVRUSA-N 321.333 -0.594 30 20 DBED C#CCOCCC(=O)N1CC[C@](O)(CNC(=O)c2cc[nH]c2)C1 1040087637 INZSHROVFKOPMQ-INIZCTEOSA-N 319.361 -0.252 30 20 DBED CC#CCCCC(=O)N1CC[C@](O)(CNC(=O)c2nc[nH]n2)C1 1040548873 AZARETLMEVQMJU-HNNXBMFYSA-N 319.365 -0.309 30 20 DBED C[C@@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)CC2=CCOCC2)C1 1040759436 IRVBXRSVXGZRQI-BLLLJJGKSA-N 321.377 -0.038 30 20 DBED Cn1cc(C(=O)N[C@@H]2CN(c3cncc(C#N)n3)C[C@H]2O)cn1 1040934508 UYDRZFBDCCPRHU-VXGBXAGGSA-N 313.321 -0.939 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)CCn2cccn2)C1 1041540917 ZOHRNQJVZHYVTG-UHFFFAOYSA-N 306.366 -0.071 30 20 DBED N#CCSCC(=O)NCC1(O)CN(C(=O)[C@H]2CC2(F)F)C1 1041569570 YRODEGVFUDMWLN-MRVPVSSYSA-N 319.333 -0.412 30 20 DBED Cc1cc(C(=O)NCC2(O)CN(C(=O)CSCC#N)C2)n[nH]1 1041727062 OHNKDSRTRBIEMK-UHFFFAOYSA-N 323.378 -0.722 30 20 DBED C=CCCO[C@H](C)C(=O)N1CC(O)(CNC(=O)[C@H](C)OC)C1 1041754937 WWVJZCPOUQGWGD-NWDGAFQWSA-N 314.382 -0.308 30 20 DBED CC#CCN1CC[C@@H]2CCN(C(=O)Cn3c(O)nnc3O)C[C@H]21 1042331739 QBWCNDGDQSOTAV-VXGBXAGGSA-N 319.365 -0.365 30 20 DBED O=C(C#CC1CC1)NCC1(O)CN(C(=O)c2ccncc2F)C1 1042958146 FWTARYUMCGDTDB-UHFFFAOYSA-N 317.320 -0.063 30 20 DBED O=C(C#CC1CC1)NCC1(O)CN(C(=O)[C@@H]2CCCOC2)C1 1042958967 QOMBERYZWGNIOG-CYBMUJFWSA-N 306.362 -0.484 30 20 DBED Cc1cnn(C)c1C(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042964901 PVNAJUJESLJTPZ-UHFFFAOYSA-N 316.361 -0.555 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)CO[C@H]2CCOC2)C1 1043046566 DVAHHBZRMOLIHW-LBPRGKRZSA-N 312.366 -0.552 30 20 DBED C=CCCC(=O)N1CC(O)(CNC(=O)Cn2nccc2C)C1 1043084630 OABWTEHJYWKYMC-UHFFFAOYSA-N 306.366 -0.153 30 20 DBED Cc1nc[nH]c1C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O 1044035474 UANOKNCQXZWNRE-MNOVXSKESA-N 313.321 -0.641 30 20 DBED Cc1[nH]nc(C(=O)N2CC(O)(CNC(=O)[C@@H](C)C#N)C2)c1C 1045541101 QPUYRNQKIJGGIB-QMMMGPOBSA-N 305.338 -0.511 30 20 DBED CCN1CCCC[C@@H]1C(=O)N1CC(O)(CNC(=O)[C@H](C)C#N)C1 1045560458 WFDRFMMVSUKGMD-CHWSQXEVSA-N 322.409 -0.290 30 20 DBED C=CCCCC(=O)N1CC(O)(CNC(=O)c2cn(CC)nn2)C1 1045577450 BVOONUUDGNLHNQ-UHFFFAOYSA-N 321.381 -0.043 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(CCOC)c2C)C1 1047378173 VUULQCRAARKAGI-GJZGRUSLSA-N 320.393 -0.412 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccn(CCN(C)C)n2)C1 1047384253 ORPAMVLRXWDPDF-GJZGRUSLSA-N 321.425 -0.252 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@]2(C)CCC(=O)NC2)C1 1047498143 HEWIBXSBVJJMNA-XEZPLFJOSA-N 307.394 -0.571 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(CC)n2)C1 1048785823 QWCRKRIMETVWIQ-STQMWFEESA-N 321.381 -0.092 30 20 DBED C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[C@@H](C(N)=O)O1 1049724934 UYHGPRAVYFYBQG-XDQVBPFNSA-N 305.378 -0.282 30 20 DBED N#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1c(O)nnc1O 1049867786 PATIXCAQQMWADF-UWVGGRQHSA-N 306.326 -0.722 30 20 DBED CC#CCN1C[C@@H]2CCCN(C(=O)Cn3ncn(C)c3=O)[C@@H]2C1 1050081556 GUNKGDLGSQMYNO-UONOGXRCSA-N 317.393 -0.472 30 20 DBED C#CCOCCC(=O)N1CC[C@@H]([C@H](C)NC(=O)c2cnn[nH]2)C1 1050721647 RGQNTVKTBQIRMJ-NWDGAFQWSA-N 319.365 -0.189 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)[C@H]1CCc2nnc(C)n2C1 1051256736 AAUYBLLNHJPWNJ-UONOGXRCSA-N 317.393 -0.401 30 20 DBED C[C@H](C#N)C(=O)N1CCOC2(CN(Cc3nc(O)n[nH]3)C2)C1 1053192181 XMIORJZIKJQXKE-SECBINFHSA-N 306.326 -0.917 30 20 DBED C#CCN1CC2(C1)CN(C(=O)C1CCN(C(C)=O)CC1)CCO2 1053528847 SVWIIZWSGWWXOF-UHFFFAOYSA-N 319.405 -0.209 30 20 DBED CC(=O)N1CCC[C@@H]1C(=O)NC[C@H]1CCC2(CN(CC#N)C2)O1 1053701507 WYALOLHXWQCVSV-ZIAGYGMSSA-N 320.393 -0.130 30 20 DBED N#CCN1CC[C@@]2(CCCN(C(=O)C[C@H]3CC(=O)NC3=O)C2)C1 1054250706 ZOWQWFKODNKHLL-WBMJQRKESA-N 318.377 -0.123 30 20 DBED CC(C)(C)C#CC(=O)N1CCC[C@@](CO)(NC(=O)CC(N)=O)C1 1055846193 RFYIKUZURRWJPL-MRXNPFEDSA-N 323.393 -0.619 30 20 DBED Cc1nonc1C(=O)N[C@@]1(CO)CCCN(C(=O)[C@@H](C)C#N)C1 1055998868 WIYVIKHQTKTVTG-XPTSAGLGSA-N 321.337 -0.379 30 20 DBED C[C@H](C#N)C(=O)N[C@@]1(CO)CCCN(C(=O)c2cncnc2)C1 1056094071 PQTXYXNDPZDVSI-ABAIWWIYSA-N 317.349 -0.280 30 20 DBED Cc1cc(=N[C@@H]2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)c(C#N)c[nH]1 1056779569 MYRWAFWBWSNOEW-UPJWGTAASA-N 313.361 -0.182 30 20 DBED C#CCO[C@H](C)C(=O)NCCN(CCO)C(=O)[C@@H]1CCCO1 1056895817 IEHMIUJGHYTVGY-OLZOCXBDSA-N 312.366 -0.859 30 20 DBED C#CCOCCC(=O)NCCN(CCO)C(=O)COC(C)C 1057137884 WXVLIOMAPBUZMN-UHFFFAOYSA-N 314.382 -0.612 30 20 DBED C=CCCC(=O)N(CCO)CCNC(=O)c1cc(=O)n(C)o1 1057171268 VQAHPFZXMKPFKH-UHFFFAOYSA-N 311.338 -0.505 30 20 DBED N#Cc1nccc(N2CCC[C@H](NC(=O)[C@@H]3CNC(=O)N3)C2)n1 1058231312 DYLAAPQARIHPPX-UWVGGRQHSA-N 315.337 -0.885 30 20 DBED CN1CCO[C@H](C(=O)N[C@H]2CCN(c3ccncc3C#N)C2)C1 1058317043 NFDZIOLRAPHPNB-ZFWWWQNUSA-N 315.377 -0.021 30 20 DBED CCn1ncc(C(=O)N[C@@H]2CCN(c3nccnc3C#N)C2)n1 1058353354 DRFLUCARVNSPAE-SNVBAGLBSA-N 312.337 -0.032 30 20 DBED N#Cc1ccc(N2CC[C@H](NC(=O)[C@H]3CCC(=O)NC3)C2)nn1 1058594096 IGFBGFPBYJYVTC-JQWIXIFHSA-N 314.349 -0.431 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)C1(CN(C)C)CC1 1058657050 PICAZUMCJKGTCY-GFCCVEGCSA-N 310.398 -0.575 30 20 DBED N#Cc1nccnc1N[C@H]1C[C@H](NC(=O)[C@H]2CC[C@H]2C(N)=O)C1 1059368601 XXIFWLUMOSLYTO-DBIOUOCHSA-N 314.349 -0.081 30 20 DBED CNC(=O)NCC(=O)NC[C@H]1CC[C@H](NC(=O)[C@@H](C)C#N)CC1 1060815087 JCWZCAIMXRJGRU-SRVKXCTJSA-N 323.397 -0.134 30 20 DBED N#Cc1ccc(NC[C@H]2CCN(C(=O)[C@H]3CNC(=O)N3)C2)nc1 1060972233 GKYIYGPGTUVQAT-VXGBXAGGSA-N 314.349 -0.105 30 20 DBED Cn1nnc(C(=O)NC[C@@H]2CCN(c3cncc(C#N)n3)C2)n1 1061706182 ODYXUMUJVNFKEX-VIFPVBQESA-N 313.325 -0.872 30 20 DBED C=CCCOCC(=O)NC[C@H]1CN(C(=O)[C@H](C)OC)CCO1 1064920912 DVUFZRWQZVTDGD-STQMWFEESA-N 314.382 -0.042 30 20 DBED C#CCCCC(=O)N1CCO[C@@H](CNC(=O)CC(=O)N(C)C)C1 1065097016 NHAVTQWUCHUDKF-ZDUSSCGKSA-N 323.393 -0.388 30 20 DBED C=CC(C)(C)C(=O)NC[C@H]1CN(C(=O)[C@H]2CNC(=O)N2)CCO1 1065541875 ZKGOKRCAVJEHNF-WDEREUQCSA-N 324.381 -0.776 30 20 DBED Cc1ccnn1CC(=O)NC[C@@H]1CN(C(=O)[C@H](C)C#N)CCO1 1065556936 LOEAOPRKHSDECQ-DGCLKSJQSA-N 319.365 -0.305 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2ccnnc2)CCO1 1065671351 ZZZPEYDPIFDPCP-CYBMUJFWSA-N 320.349 -0.364 30 20 DBED CC(C)C#CC(=O)N1CCC[C@@H](NC(=O)[C@H]2CNC(=O)N2)CC1 1066459408 ZZVQMOKGHFFSKS-CHWSQXEVSA-N 320.393 -0.176 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](CNC(=O)c3ncccn3)C2)cn1 1067677345 CAYXLNLFZRGYGB-BXUZGUMPSA-N 324.344 -0.030 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC2(CN(C(=O)CCCC(N)=O)C2)C1 1068450860 ZSMONJFYPWGLJC-NSHDSACASA-N 322.365 -0.759 30 20 DBED C[C@@H]1C[C@@H](Nc2cnc(C#N)cn2)CN1C(=O)CS(C)(=O)=O 1069038980 AHTMQWYUCFMVIG-NXEZZACHSA-N 323.378 -0.206 30 20 DBED N#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)C[C@H]2CCOC2)C1 1069904891 URHGUNKUYFTCBQ-UPJWGTAASA-N 304.354 -0.430 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)c4cn(C)cn4)C[C@@]3(C1)O2 1070786185 COXRUSPCBLVFOH-XJKCOSOUSA-N 300.362 -0.031 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)[C@H]2CCCOC2)CC1 1070945830 BDFOPGFMEKJKCH-AWEZNQCLSA-N 307.394 -0.303 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](NC(=O)COCC)[C@H](C)C1 1071922522 UYEZUKYBUJVVFY-VXGBXAGGSA-N 309.366 -0.875 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](NC(=O)c2ncc[nH]2)[C@H](C)C1 1071935587 DOIPMBCYYPPCHZ-GHMZBOCLSA-N 317.349 -0.874 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H](C)CCNC(=O)c1ccn(C)c1 1076146712 CJXMDBCTFLFIID-LBPRGKRZSA-N 318.377 -0.211 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2ccc3c(n2)OCCO3)C1 1077300501 AMWSTKYCXQELGZ-VXGBXAGGSA-N 303.318 -0.739 30 20 DBED CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)c2c[nH]c(C(N)=O)c2)C1 1080418599 VHRDTJJYVJWDRR-SECBINFHSA-N 317.349 -0.054 30 20 DBED C=CCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CC(=O)NCC)C1 1081421606 BJLPTMOLTNSUQH-NWDGAFQWSA-N 311.382 -0.586 30 20 DBED C=CCCOCC(=O)NC[C@H]1CN(C(=O)c2cn[nH]c2)C[C@@H]1O 1081570000 WODRFUHEDOCEDA-STQMWFEESA-N 322.365 -0.449 30 20 DBED CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@H]1CC(=O)N(C(C)(C)C)C1 1081761635 IRNFQLKSOQQIOF-YNEHKIRRSA-N 322.409 -0.028 30 20 DBED C=CCN[C@@H]1CN(C(=O)[C@H]2CCN(C)S2(=O)=O)C[C@H]1C 1082798265 KNVMOAAGPVEGJH-IJLUTSLNSA-N 301.412 -0.357 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H]2CN(CCN3CCNC3=O)C[C@@H]21 1083026845 PKXOJZOVVYKYTL-FRRDWIJNSA-N 321.381 -0.917 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@H]2CC(=O)N(CC(C)C)C2)C1 1083503446 ROIQNMUZEJKBDD-MJBXVCDLSA-N 307.394 -0.715 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)c2ccc3nnc(C)n3c2)C1 1083590013 KJSKMGPQOCAICM-OLZOCXBDSA-N 301.350 -0.001 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCCCC(=O)N2)C1 1083769708 FIZWKMZMJJUZTM-TUAOUCFPSA-N 315.801 -0.041 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)c2cccc(C(=O)NC)n2)C1 1084008693 RRWAALZYVLAYNJ-KGLIPLIRSA-N 318.377 -0.208 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2ccc3c(c2)nnn3CC)C1 1084047745 VFTQFGILYDCSAG-HIFRSBDPSA-N 313.361 -0.141 30 20 DBED N#CCN1CC[C@@H]2CN(C(=O)CN3CCOCC3=O)C[C@@H]2C1 1087995561 SMRPAJHVXZXFOL-OLZOCXBDSA-N 306.366 -0.851 30 20 DBED C#CCN1CC[C@H](NC(=O)c2nc3nccc(C)n3n2)[C@H](O)C1 1090774876 NAMQSZBJHQOXFF-NWDGAFQWSA-N 314.349 -0.769 30 20 DBED CCc1nc(C#N)cc(N2CCN(C(=O)CNC(C)=O)CC2)n1 1093131940 WMUFEQHYOTWUHB-UHFFFAOYSA-N 316.365 -0.305 30 20 DBED CNC(=O)C1(C(=O)N2CCN(c3ccc(C#N)nn3)CC2)CC1 1093165561 YIGJJKWCSGZLEN-UHFFFAOYSA-N 314.349 -0.477 30 20 DBED CC(=O)NCC(=O)NC1[C@H]2CN(c3ccnc(C#N)n3)C[C@H]12 1093215319 LKSGKHHJDQJNBI-UWVGGRQHSA-N 300.322 -0.965 30 20 DBED CC(C)C#CC(=O)NC1[C@@H]2CN(c3nccn4nnnc34)C[C@@H]12 1093256253 PTBWSTRGZGJPQI-GHMZBOCLSA-N 311.349 -0.271 30 20 DBED CC(C)(C)[C@@H](NC(N)=O)C(=O)NCCN=c1cc[nH]c(C#N)n1 1093745339 XCYLVUYBVLAPBM-NSHDSACASA-N 319.369 -0.619 30 20 DBED N#Cc1nc(=NCCNC(=O)c2cn(CC3CC3)nn2)cc[nH]1 1093815159 UCZPVXVPEQDHOF-UHFFFAOYSA-N 312.337 -0.386 30 20 DBED C=CCN1CC(n2cc(CNC(=O)[C@@H]3CCCNC3=O)nn2)C1 1094298083 FGGTWZYIJYRWEB-CYBMUJFWSA-N 318.381 -0.537 30 20 DBED CC(C)C[C@H](C(N)=O)C(=O)NCCCN=c1cc[nH]c(C#N)n1 1094484153 RTCNUNYVNLADJN-LLVKDONJSA-N 318.381 -0.164 30 20 DBED Cc1cc(C#N)nc(NCCCNC(=O)[C@@H]2CCC(=O)N2)n1 1094507440 BXVFHVWEGCRBSL-NSHDSACASA-N 302.338 -0.147 30 20 DBED C#CCCN1CC(N2C[C@@H](NC(=O)[C@H]3CCOC3)CC2=O)C1 1094708756 FSCWSDZFGDISLA-STQMWFEESA-N 305.378 -0.553 30 20 DBED CCC(=O)NCC(=O)N1CCCN(c2cnc(C#N)cn2)CC1 1095176169 UMLHPXIYTVZLKR-UHFFFAOYSA-N 316.365 -0.087 30 20 DBED CCN(CCCNC(=O)Cn1cnnn1)c1ncccc1C#N 1095835101 BKDIMRAHNVPOKX-UHFFFAOYSA-N 314.353 -0.027 30 20 DBED CCNC(=O)CC(=O)N[C@@H]1CCCN(c2nccnc2C#N)C1 1096160911 NGKMOABJTQPMPL-LLVKDONJSA-N 316.365 -0.041 30 20 DBED N#CCSCC(=O)N[C@H]1C[C@@H](Nc2nccn3nnnc23)C1 1097151687 GCMUVQQKQHCPSJ-DTORHVGOSA-N 318.366 -0.165 30 20 DBED CNC(=O)NCCC(=O)NC[C@@H](C)Nc1cncc(C#N)n1 1097806869 XOWNWIYYOXYTNN-SECBINFHSA-N 305.342 -0.416 30 20 DBED COCC#CCNCc1cn([C@@H]2CCN(C(=O)COC)C2)nn1 1098586467 GCQBBJDZKOJXGM-CQSZACIVSA-N 321.381 -0.563 30 20 DBED C=CCNCc1cn([C@@H]2CCN(C(=O)[C@H]3COCCO3)C2)nn1 1098622793 QAPGNLDTCXLSDK-ZIAGYGMSSA-N 321.381 -0.258 30 20 DBED C[C@@H](CCNC(=O)CCn1cnnn1)Nc1cncc(C#N)n1 1099416863 IXHLARPVLFZHFV-JTQLQIEISA-N 315.341 -0.268 30 20 DBED C#CCCN1C[C@@H](NC(=O)CNC(N)=O)CC2(CCOCC2)C1 1099562236 SJMADPCOAPYZNN-ZDUSSCGKSA-N 322.409 -0.335 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)c2ccoc2C)[C@@H](O)C1 1099643819 BGWNJARAKZHPDW-KGLIPLIRSA-N 319.361 -0.498 30 20 DBED C=CCOCC(=O)N[C@H]1CCN(CC(=O)NC(C)C)C[C@H]1O 1099741244 PYRCVXQVCLMAEL-QWHCGFSZSA-N 313.398 -0.735 30 20 DBED CC(C)C#CC(=O)N[C@H]1CCN(Cc2cnnn2C)C[C@H]1O 1099821944 YMVSWDIVOGKTEX-UONOGXRCSA-N 305.382 -0.474 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2ccnnc2C)[C@@H](O)C1 1099907108 RVFJMRKWWAKOPR-GJZGRUSLSA-N 318.377 -0.400 30 20 DBED COCC#CCN1CC[C@H](NC(=O)c2oncc2C)[C@@H](O)C1 1100061556 DIVUOOBFLGAGRU-STQMWFEESA-N 307.350 -0.202 30 20 DBED N#CCNC(=O)CNC1CC(CNC(=O)[C@@H]2CC2(F)F)C1 1100300121 OWGXJHFFEFHURU-RTBKNWGFSA-N 300.309 -0.234 30 20 DBED CCN(CCNC(=O)[C@H]1CN(C)CCO1)c1cnc(C#N)cn1 1100495870 JNBWZMDPISHNKY-CYBMUJFWSA-N 318.381 -0.379 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)Cn2ccc(C)n2)C1 1100687692 HPQNWFVGOJUXCJ-UHFFFAOYSA-N 317.393 -0.575 30 20 DBED C=CCNC(=O)CNC1CC(CNC(=O)Cn2ccnc2C)C1 1100983578 LXYQFXVQNBIXBG-UHFFFAOYSA-N 319.409 -0.022 30 20 DBED COC[C@H](OC)C(=O)NC[C@H]1CCN(c2cncc(C#N)n2)C1 1101051104 UERSHRZJBOTUFC-YPMHNXCESA-N 319.365 -0.048 30 20 DBED N#Cc1cnc(N(CCNC(=O)[C@H]2COCCO2)C2CC2)cn1 1101285393 CGKKEUVCRXLYRS-CYBMUJFWSA-N 317.349 -0.151 30 20 DBED CN(CCNc1ccc(C#N)nn1)C(=O)[C@@H]1CCCS1(=O)=O 1101642212 SWIBZNURDJMDLC-NSHDSACASA-N 323.378 -0.204 30 20 DBED C#CCN1C[C@@H](C)[C@H](CNC(=O)CS(=O)(=O)N(C)C)C1 1102536912 YBPMATDPWDBPIB-VXGBXAGGSA-N 301.412 -0.805 30 20 DBED CC[C@H](CNC(=O)Cc1nc[nH]n1)N=c1cc[nH]c(C#N)n1 1103186768 QKKXQQPXOAFJEY-SECBINFHSA-N 300.326 -0.562 30 20 DBED Cc1cc(=NC[C@H](C)CNC(=O)[C@H](C)NC(N)=O)c(C#N)c[nH]1 1103934414 BMZZQVQHCIAQGO-ONGXEEELSA-N 318.381 -0.095 30 20 DBED CC(C)C[C@@H](CNc1cncc(C#N)n1)NC(=O)CNC(N)=O 1104906318 ICUZQURWKXDCMN-JTQLQIEISA-N 319.369 -0.041 30 20 DBED C#CCNC(=O)[C@H](C)NCc1cn(C2CN(C(=O)CC)C2)nn1 1105125395 LHRCVVMZZFVJDV-NSHDSACASA-N 318.381 -0.701 30 20 DBED CN1C[C@H](C(=O)N(C)CCN(C)c2cnc(C#N)cn2)NC1=O 1105535858 ZSSOWSGFXIVQBC-LLVKDONJSA-N 317.353 -0.734 30 20 DBED CN(CCN(C)c1nccnc1C#N)C(=O)CCc1cnn[nH]1 1105569081 KPKJIPSKXARLSC-UHFFFAOYSA-N 314.353 -0.006 30 20 DBED Cc1cnn(CC(=O)NC[C@H](O)CNc2cnc(C#N)cn2)c1 1105733441 VDRQDHBNPDDHRH-GFCCVEGCSA-N 315.337 -0.558 30 20 DBED COCC1(CC(=O)NC[C@H](O)CN=c2cc[nH]c(C#N)n2)CC1 1105819274 WTXIEDPJHRZGLS-LLVKDONJSA-N 319.365 -0.524 30 20 DBED Cn1cnc2c(NC[C@H](O)CNC(=O)C#CC3CC3)ncnc21 1105825578 JWOYMRCFUMBYEK-LLVKDONJSA-N 314.349 -0.334 30 20 DBED Cc1nccc(C(=O)NC[C@H](O)CNc2ccc(C#N)nn2)n1 1105862114 QAQLNUOVGKUADJ-LLVKDONJSA-N 313.321 -0.351 30 20 DBED N#Cc1cnc(NC[C@H](O)CNC(=O)[C@@H]2CCC(=O)N2)c(F)c1 1105922678 VXUVFUJJRILFIQ-ONGXEEELSA-N 321.312 -0.740 30 20 DBED Cc1nc(NC[C@@H](O)CNC(=O)[C@@H]2CCNC2=O)ccc1C#N 1106052126 TXKOXXGKYZMPCL-VXGBXAGGSA-N 317.349 -0.713 30 20 DBED C=CCNC(=O)CNC[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1C 1106084520 RDMKQJXCHOQNSU-VXGBXAGGSA-N 320.397 -0.585 30 20 DBED CN(C)CC1(C(=O)NC[C@@H](O)CNc2nccnc2C#N)CC1 1106100400 NTIVEDRIQIEUDQ-NSHDSACASA-N 318.381 -0.421 30 20 DBED CCC(=O)N[C@@H](C)C(=O)NC[C@H](O)CNc1ccc(C#N)nn1 1106140575 MCSBEDILYTVTHX-GXSJLCMTSA-N 320.353 -0.848 30 20 DBED C[C@H](CCNc1ccc(C#N)nn1)NC(=O)CCn1cnnn1 1106418247 FFOWQOHLOHACLN-SNVBAGLBSA-N 315.341 -0.268 30 20 DBED C#CCCNC[C@@H]1CN(C(=O)C2CC(=O)NC(=O)C2)C[C@H]1C 1106759838 AQOOOKOCEDMWAH-DGCLKSJQSA-N 305.378 -0.253 30 20 DBED N#Cc1ccc(NC/C=C/CNC(=O)[C@@H]2CNC(=O)N2)nc1 1107493098 ZLNPUPOHWSBIAI-GXFZAYBSSA-N 300.322 -0.281 30 20 DBED C[C@H](C#N)C(=O)NC[C@]1(C)CN(CC(=O)NC2CC2)CCO1 1107822014 ZMVNQKFEKOIMTG-IAQYHMDHSA-N 308.382 -0.368 30 20 DBED C[C@H](CNc1ccc(C#N)nn1)NC(=O)C1CC(=O)NC(=O)C1 1107831278 VVLIGJSRJIWREG-MRVPVSSYSA-N 316.321 -0.682 30 20 DBED C#CCN1CCO[C@](C)(CNC(=O)c2ccn3nnnc3c2)C1 1108113749 UCAMOSKPGOHAGY-OAHLLOKOSA-N 314.349 -0.422 30 20 DBED C[C@H](OCC1CC1)C(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1 1108521784 JMDARSDCJIUPCN-WCQYABFASA-N 320.393 -0.274 30 20 DBED C#CCCN1CC(N2C[C@@H](NC(=O)[C@@H](C)COC)CC2=O)C1 1108523264 FWSJNWKMYNEFKT-STQMWFEESA-N 307.394 -0.307 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)CCCCC(N)=O)CC2=O)C1 1108584339 FSGVOBIFPVHEIX-GFCCVEGCSA-N 322.409 -0.381 30 20 DBED C[C@H](CN(C)c1cnc(C#N)cn1)NC(=O)[C@@H]1CC(=O)N(C)C1 1109295789 OAKIDOBXKQUGDR-GHMZBOCLSA-N 316.365 -0.233 30 20 DBED C[C@H](CC(N)=O)C(=O)NCC1(Nc2nccnc2C#N)CC1 1110298143 IAXMMVGGRRFGAA-SECBINFHSA-N 302.338 -0.080 30 20 DBED C=CCOCCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CS(C)(=O)=O 1110351969 PKYLWSWKHKBGFX-UPJWGTAASA-N 316.423 -0.045 30 20 DBED C[C@]1(NC(=O)CNC(N)=O)CCN(c2ccc(C#N)nn2)C1 1110708729 KAQXCPXOPBULJU-ZDUSSCGKSA-N 303.326 -0.898 30 20 DBED CNC(=O)NCC(=O)N[C@]1(C)CCN(c2ncccc2C#N)C1 1110822468 LPCGLORNIJHESJ-OAHLLOKOSA-N 316.365 -0.033 30 20 DBED C[C@H](N=c1cc[nH]c(C#N)n1)[C@@H]1CCN(C(=O)CNC(N)=O)C1 1111206213 WMBGXRNVQPZXKG-VHSXEESVSA-N 317.353 -0.913 30 20 DBED C=CCn1cc(C(=O)N(CCO)CCNc2ncccn2)nn1 1111574139 PGRPTFISLIEYMP-UHFFFAOYSA-N 317.353 -0.199 30 20 DBED N#Cc1ccc(NC2(CNC(=O)[C@H]3CNC(=O)N3)CCC2)nn1 1111890648 JMHVFFXRXLMJQP-SNVBAGLBSA-N 315.337 -0.520 30 20 DBED C#CCNC(=O)CNC[C@]12CCC[C@H]1CN(C(=O)COC)C2 1112220040 JXNFTJFBKAGELW-BBRMVZONSA-N 307.394 -0.400 30 20 DBED C#CCOCCC(=O)NC1(CO)CCN(c2ncccn2)CC1 1112668218 DIZVAMXIXHBFCZ-UHFFFAOYSA-N 318.377 -0.036 30 20 DBED C=CCOCC(=O)N1CCN(CCN2C(=O)CCC2=O)CC1 1112704315 RIBFPWYOXDOTMT-UHFFFAOYSA-N 309.366 -0.518 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1CCN(C(=O)[C@@H](C)C#N)CC1 1112718061 DTQWVOVGEGMYKH-RYUDHWBXSA-N 321.381 -0.309 30 20 DBED COC[C@@H](C)[C@@H](C)C(=O)N1CCN(CC(=O)NCC#N)CC1 1112944421 DDMWAJUVOCUSJM-CHWSQXEVSA-N 310.398 -0.311 30 20 DBED C[C@H](NC(=O)C1(C(N)=O)CC1)[C@@H](C)Nc1ccc(C#N)nn1 1113274295 PHDWQPLTTDKOSA-BDAKNGLRSA-N 302.338 -0.081 30 20 DBED C[C@@H](CNC(=O)CSCC#N)N(C)c1nccn2nnnc12 1113496508 OLDJHRSGSHZWEI-VIFPVBQESA-N 320.382 -0.283 30 20 DBED C[C@H](CNC(=O)[C@@H]1CCNC1=O)N(C)c1ccnc(C#N)n1 1113802662 RGPUFGQWUQWVKU-NXEZZACHSA-N 302.338 -0.575 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)C[C@@H]3CCCO3)[C@@H]2C1 1113925667 QQCIYEBJAUWYNW-YNEHKIRRSA-N 307.394 -0.096 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)c3cnns3)[C@@H]2C1 1113945101 PERZYPNSPTVHIE-IVZWLZJFSA-N 321.406 -0.111 30 20 DBED C[C@H](C#N)C(=O)NC1[C@@H]2CN(Cc3nnnn3C3CC3)C[C@@H]12 1114067185 OJCVNCHKTXMNNB-FBIMIBRVSA-N 301.354 -0.286 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3ccc(C#N)[nH]3)[C@H]2C1 1114143647 RSQQQLCTDPLRDD-RYUDHWBXSA-N 311.345 -0.704 30 20 DBED C=CCCCN1C[C@H]2[C@H](NC(=O)CCNS(C)(=O)=O)[C@H]2C1 1114361428 NLDFOLDRLJIIJM-IMRBUKKESA-N 315.439 -0.062 30 20 DBED C=CCN1C[C@@H]2C(NC(=O)CN(C)CC(=O)NC(C)C)[C@H]2C1 1114521409 PGTIXDZZSSNVEV-STQMWFEESA-N 308.426 -0.325 30 20 DBED C=CCCCN1C[C@H]2C(NC(=O)c3nnc(O)nc3O)[C@@H]2C1 1114524514 WKJSIVQUCHICHF-RKDXNWHRSA-N 305.338 -0.091 30 20 DBED N#Cc1nccnc1N1C[C@H]2C(CNC(=O)CC(N)=O)[C@@H]2C1 1114547313 TWAWDRICKYIGMK-UWVGGRQHSA-N 300.322 -0.978 30 20 DBED C=CCN1CC[C@H](N2C[C@@H]3C(NC(=O)CCN(C)C)[C@H]3C2)C1=O 1114778120 FPPOAVYKZBBXLN-IHRRRGAJSA-N 320.437 -0.229 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)c3ccnnc3)[C@H]2C1 1114875445 LRVXOGKULCOGSR-RYUDHWBXSA-N 301.350 -0.561 30 20 DBED CCn1ccc(C(=O)NC2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]23)n1 1114921983 UOHLNLHYWQOUNB-GHMZBOCLSA-N 316.365 -0.797 30 20 DBED Cc1cnoc1C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1115064000 ZXCOYQDUPGSWGS-IAZYJMLFSA-N 303.322 -0.717 30 20 DBED C[C@@H]1C[C@@H](NC(=O)C(=O)NCCNc2ncccc2C#N)CO1 1118146316 XIEGZTZROXXTJU-ZYHUDNBSSA-N 317.349 -0.225 30 20 DBED CN(C(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1)C1CC(O)C1 1119016004 ZHIRFZLGHCKAPD-CPCZMJQVSA-N 306.366 -0.833 30 20 DBED CCc1ocnc1C(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1 1121266064 QOSFIILNZQYBIW-SECBINFHSA-N 316.321 -0.477 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H](CO)CNC(=O)C[C@H]1CCOC1 1121399132 MBJCHEYXOALFDN-DGCLKSJQSA-N 304.350 -0.309 30 20 DBED Cc1ccc(C#N)c(N[C@@H](CO)CNC(=O)c2cn(C)nn2)n1 1121432378 MIWXFVBNSXZBHI-LLVKDONJSA-N 315.337 -0.407 30 20 DBED CCn1ncc(C(=O)NC[C@@H](CO)Nc2ccc(C#N)nc2)n1 1121473336 WYOAGKLRTVHQPO-LBPRGKRZSA-N 315.337 -0.233 30 20 DBED CO[C@@H](C(=O)NC[C@H](CO)N=c1cc(C)[nH]cc1C#N)C1CC1 1121505182 KPJJIGCQIAWRKH-UKRRQHHQSA-N 318.377 -0.002 30 20 DBED Cc1nc[nH]c1C(=O)NC[C@@H](CO)Nc1ccc(C#N)nn1 1121723943 BEVPEYDCQUMZLH-JTQLQIEISA-N 301.310 -0.417 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H](CO)CNC(=O)CCn1ccnc1 1122378325 GZIPOCUWDQLTPY-CYBMUJFWSA-N 314.349 -0.449 30 20 DBED CN(C)CCC(=O)NC[C@H](CO)Nc1ncc(C#N)cc1F 1122542210 FGOIUNWCCSTNGK-LLVKDONJSA-N 309.345 -0.067 30 20 DBED Cc1cc(C(=O)N(C)C[C@H](O)CNc2ccc(C#N)nn2)n[nH]1 1124096115 DNZKYHFNOTXDJD-LLVKDONJSA-N 315.337 -0.075 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)c2cncnc2C)C1=O 1124120031 WOVDIRLZJRRMBO-ZDUSSCGKSA-N 303.366 -0.109 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]c(C#N)n1)C(=O)c1cc(F)c[nH]1 1124596715 QEGZQYSSLQJWGE-JTQLQIEISA-N 318.312 -0.218 30 20 DBED CSCC(=O)N(C)C[C@H](O)CN(C)c1nccnc1C#N 1124924686 GTIBELUEQZYGHU-JTQLQIEISA-N 309.395 -0.033 30 20 DBED C#CCOCCC(=O)N(C)C[C@H](O)CN(C)c1ncc(F)cn1 1125162273 QFLDLAUCZNFQQD-ZDUSSCGKSA-N 324.356 -0.089 30 20 DBED C#CCNC(=O)CC(=O)NCCN[C@@H](C)C(=O)N[C@H](C)CC 1125998731 UNHDUFPBWKXRPY-NEPJUHHUSA-N 310.398 -0.865 30 20 DBED COCCN(CCNC(=O)c1nc[nH]n1)c1cncc(C#N)n1 1126384033 KMWQVAMYKDWSSI-UHFFFAOYSA-N 316.325 -0.651 30 20 DBED CCC(=O)NCC(=O)N(C)C1CC(N=c2cc[nH]c(C#N)n2)C1 1126876989 XBTMNIYTIBSQCE-UHFFFAOYSA-N 316.365 -0.302 30 20 DBED N#CCNC(=O)CNCCNC(=O)[C@H]1CCCc2c[nH]nc21 1127332985 HWVAJKZRVPNWNR-NSHDSACASA-N 304.354 -0.825 30 20 DBED N#Cc1ccc(N2CC=C(CNC(=O)Cn3cnnn3)CC2)nc1 1127552463 WPZJFMBTEWYXJR-UHFFFAOYSA-N 324.348 -0.107 30 20 DBED C=CCCCN1C[C@H](n2ccnn2)[C@H](NC(=O)CNC(N)=O)C1 1128681575 GPLLGHPHWZMCBE-NEPJUHHUSA-N 321.385 -0.746 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(C)=O)C[C@H]1c1cncn1C 1130885181 ZPVGLBNJTGXEPP-CHWSQXEVSA-N 305.382 -0.374 30 20 DBED C=CCN1CCNC(=O)CCN(C(=O)[C@H](CC)NC(C)=O)CC1 1131385516 CDCYBGIBENHZME-AWEZNQCLSA-N 324.425 -0.262 30 20 DBED COCC#CCNCCNC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1 1131488644 QPJMQFZLCKHBMY-OLZOCXBDSA-N 311.382 -0.845 30 20 DBED CN1C[C@H](C(=O)NCCNCc2cc(F)ccc2C#N)NC1=O 1132382213 DYEFRNKYWPCWSD-CYBMUJFWSA-N 319.340 -0.073 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)c1cnsn1 1133784106 FSYHHXDAHRQAMQ-ZJUUUORDSA-N 309.395 -0.226 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1Cc2ccncc2C1 1133881039 YQBHEBMNIXQVKN-GXTWGEPZSA-N 314.389 -0.360 30 20 DBED C=CCN[C@H](C)C[C@H](C)NC(=O)c1c[nH]nc1S(N)(=O)=O 1135460623 PRHAQDIXOQEAGB-BDAKNGLRSA-N 315.399 -0.270 30 20 DBED COCC#CCN[C@@H](C)C[C@H](C)NC(=O)c1ccc(=O)n(C)n1 1136119192 QETVZQKYKZCYTE-STQMWFEESA-N 320.393 -0.083 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)C(C)(C)NC(=O)NCC)C1 1150403161 JTTYDVBYJRGUDQ-CYBMUJFWSA-N 324.425 -0.076 30 20 DBED C#CCCN1CCCO[C@@H](CNC(=O)C[C@@H]2CCC(=O)N2)C1 1150436752 WRQUMHOPQZCIOB-KBPBESRZSA-N 307.394 -0.115 30 20 DBED CCS(=O)(=O)CC(=O)NC[C@H]1CN(CC#N)CCCO1 1150772364 RIMWCCCBKVQMFR-NSHDSACASA-N 303.384 -0.848 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)[C@@H]1CCN(C)[C@@H]1C 1153451444 DEEHSXARHJAJTR-RBSFLKMASA-N 322.453 -0.097 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)c1[nH]cnc1C 1153816665 GSRKBQVUKCBASH-UHFFFAOYSA-N 306.370 -0.200 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)Cn1cncc1C 1154332144 HPHMBQSOCCIWPM-CQSZACIVSA-N 319.409 -0.232 30 20 DBED CCN(CC#CCOC)[C@H](C)CNC(=O)[C@H]1CCN(C)C1=O 1154719514 FOTAXMJEEMLTDZ-ZIAGYGMSSA-N 309.410 -0.059 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)c2cnn(CC)n2)C1=O 1157525314 DAFSEEVEEKBTQR-LBPRGKRZSA-N 320.397 -0.206 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)[C@@H]1CN2CCC1CC2 1158202150 DOZKGFSPYCUYKD-DZGCQCFKSA-N 320.437 -0.438 30 20 DBED C#CCN1CCC(CNC(=O)[C@H](C)NC(C)=O)(COC)CC1 1162081265 NDMCDNJFIVTHBV-ZDUSSCGKSA-N 309.410 -0.011 30 20 DBED N#CCNC(=O)CNCCCNC(=O)[C@@H]1CCO[C@H]1C1CC1 1162917092 FZQXUVUNSPPEKS-OCCSQVGLSA-N 308.382 -0.463 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)c1cn(C)nc1OC 1163825138 KWGGQDQWZZQVRI-NSHDSACASA-N 321.381 -0.724 30 20 DBED C=CCNC(=O)CNCCCNC(=O)CCNC(=O)C1CCC1 1168198386 LQOOIARUAPGJGB-UHFFFAOYSA-N 324.425 -0.309 30 20 DBED CC(=O)N1CCOC[C@@H]1C(=O)NCCC1(CNCC#N)CC1 1168230883 IXVUPZKBSNEPDA-CYBMUJFWSA-N 308.382 -0.367 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)c1c[nH]c(C(N)=O)c1 1176186809 VXRLNEJALVUZKR-JTQLQIEISA-N 321.381 -0.486 30 20 DBED C=CCOCCNCCCNC(=O)[C@H](C)CS(C)(=O)=O 1177068821 FEZSBTCPFXLNTF-GFCCVEGCSA-N 306.428 -0.034 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CC[C@H](NCCOCCO)[C@@H]1C 1178572372 FSTXWIJWBBVPKX-KCQAQPDRSA-N 300.399 -0.099 30 20 DBED C[C@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)c1ccncn1 1179755436 SQOZZDIJRFUOGJ-QWRGUYRKSA-N 302.338 -0.691 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](NCC(=O)NC2CCOCC2)C1 1181653418 ZKEDPONUIREZBE-DGCLKSJQSA-N 308.382 -0.368 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2cnnc(O)c2)C1 1183465683 NMCXDEFDELICCK-CMPLNLGQSA-N 317.349 -0.876 30 20 DBED N#CCNC(=O)CN[C@@H]1CCN(C(=O)Cc2ncccc2F)C1 1185166655 IEMKWTPWWXDIJY-LLVKDONJSA-N 319.340 -0.407 30 20 DBED CNC(=O)CC(=O)N1C[C@@H](CNCC#N)C2(CCOCC2)C1 1186357514 WKMGSVDAQLIHKD-GFCCVEGCSA-N 308.382 -0.509 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2cc(CC)nn2C)C1 1186546303 PPJOHSUGMREZQS-CYBMUJFWSA-N 317.393 -0.464 30 20 DBED N#CCNC(=O)CN1C[C@@H]2CCN(C(=O)COCC3CC3)[C@@H]2C1 1187002119 IVKZZIXFVYPDTB-UONOGXRCSA-N 320.393 -0.415 30 20 DBED CN(CC(=O)NCC#N)[C@@H]1CCN(C(=O)c2cnccn2)C1 1188685870 TZOIGNGYURQKGR-LLVKDONJSA-N 302.338 -0.737 30 20 DBED COCc1noc(CN2C[C@@H](O)[C@H](NC(=O)[C@H](C)C#N)C2)n1 1191855144 XFMROAOFWKQHQJ-OPRDCNLKSA-N 309.326 -0.963 30 20 DBED Cc1nonc1CC(=O)N1CC[C@H](N(C)CC(=O)NCC#N)C1 1193169782 FDMFQHYQGXXOJF-NSHDSACASA-N 320.353 -0.907 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C2C=CC=CC=C2)C1 1193345744 VUTJGWONKMMCPU-HUUCEWRRSA-N 317.389 -0.252 30 20 DBED C=C(C)[C@@H](CC(=O)N[C@@H]1CN(CCCO)C[C@H]1O)OCC 1193422419 REJFARROXVXJRC-MGPQQGTHSA-N 300.399 -0.099 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C2(C3CC3)CCC2)C1 1195011294 GOVZJFFTVYBFFJ-ZIAGYGMSSA-N 319.405 -0.523 30 20 DBED Cc1nocc1C(=O)N1CCCN(CC(=O)NCC#N)CC1 1197007601 VZURZDJOQFWUBD-UHFFFAOYSA-N 305.338 -0.229 30 20 DBED C#CCN1CCCN(C(=O)CNC(=O)C2CCOCC2)CC1 1197485281 OQXLMIKIODZHNC-UHFFFAOYSA-N 307.394 -0.303 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)N2CCCC2=O)C1 1199422239 JBIFMLKWZCSQEP-NFAWXSAZSA-N 307.394 -0.572 30 20 DBED N#Cc1cc(C(=O)N2CCC(NCC(=O)NC(N)=O)CC2)c[nH]1 1200140382 UKIUMWDDCVFDMX-UHFFFAOYSA-N 318.337 -0.725 30 20 DBED C#CCCNC[C@H]1CN(C(=O)[C@H]2COCCN2C)CCCO1 1200312037 RFVCEQCQOJGOIU-LSDHHAIUSA-N 309.410 -0.453 30 20 DBED CO[C@@H](C(=O)N1CCC(NCC(=O)NCC#N)CC1)C1CC1 1200340496 ASLRQRTWSJAWFM-CQSZACIVSA-N 308.382 -0.368 30 20 DBED N#CCNC1CCN(C(=O)CCNC(=O)[C@@H]2CCCO2)CC1 1204108137 IAJMKHAHINJQLO-ZDUSSCGKSA-N 308.382 -0.224 30 20 DBED C=CCNC(=O)CNCC1CCN(C(=O)c2cnn[nH]2)CC1 1205609348 ZHRNSPVJDDPRPP-UHFFFAOYSA-N 306.370 -0.451 30 20 DBED COCC#CCN1C[C@@H](NC(=O)[C@@H]2CCNC(=O)C2)[C@H](C)C1 1206870648 GLHHGAIJEPNVGN-MGPQQGTHSA-N 307.394 -0.401 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@H](C)C1 1206875221 BTOHXPRYOCJIHE-BXUZGUMPSA-N 313.361 -0.314 30 20 DBED CC(=O)NCCOCCN[C@H]1CCCN(C(=O)[C@@H](C)C#N)C1 1207694757 XHZSIJRRLRVMPG-JSGCOSHPSA-N 310.398 -0.121 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CCCN(C(=O)CC(=O)NCC)C1 1207877509 JPZZJBOUXOAQTJ-QWHCGFSZSA-N 324.425 -0.216 30 20 DBED C#CCOCCC(=O)N1CCC[C@@H](NCc2cnnn2C)C1 1208032385 QJWFZFRHZPRPSR-CYBMUJFWSA-N 305.382 -0.064 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@H]1CCCN(C(=O)c2nc[nH]n2)C1 1210206424 MFDKNNYVIWOEDQ-MNOVXSKESA-N 306.370 -0.310 30 20 DBED N#CCNC(=O)CN[C@@H]1CCCN(C(=O)c2nccs2)C1 1210266178 ZFWNPRYKHMBLJO-SNVBAGLBSA-N 307.379 -0.023 30 20 DBED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)c1cc(C)on1 1211827838 MYQNEKSRGYTSJX-VXGBXAGGSA-N 321.337 -0.948 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@H](C)CS(C)(=O)=O)[C@H](OC)C1 1213934556 XIYAZFJHRHSWCH-IJLUTSLNSA-N 302.396 -0.884 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)c2cnc(C)n2C)C[C@H]1C 1215396786 BZTPHRKPOOIQKK-DGCLKSJQSA-N 317.393 -0.472 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(Cc2cc(C)ncn2)C[C@@H]1O 1219536545 TUBHLJXDTHDDRW-YCPHGPKFSA-N 320.393 -0.227 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@H]2CCC2(F)F)C1 1219858383 OWWMTZKJNHUCBD-MXWKQRLJSA-N 317.336 -0.505 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)CCc2ccon2)C1 1220012411 ADNMYZXQJWPPQP-KGLIPLIRSA-N 309.366 -0.029 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)CCc2nc(C)no2)C1 1220109719 UICBRMRUROBEIZ-OLZOCXBDSA-N 322.365 -0.878 30 20 DBED C=C[C@@](C)(CC)C(=O)N[C@@H]1CN(CC(=O)N2CCC2)C[C@@H]1O 1220292388 WQEYJMCFYCHQTR-WWGRRREGSA-N 309.410 -0.018 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)CCc2cncs2)C1 1220371769 UEEUNTKVDREJQR-KGLIPLIRSA-N 323.418 -0.113 30 20 DBED N#CCNC(=O)CN1CCC(NC(=O)C[C@H]2CCCO2)CC1 1226188402 ZXEPDOAEQMZBFQ-CYBMUJFWSA-N 308.382 -0.224 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)c2cc(C)[nH]n2)CC1 1226284934 FEFOJRFNNKEMIB-UHFFFAOYSA-N 303.366 -0.338 30 20 DBED CCNC(=O)CCC(=O)NC1CCN(CC(=O)NCC#N)CC1 1226562899 AVSGHFYTWLBXDC-UHFFFAOYSA-N 323.397 -0.877 30 20 DBED C#CCO[C@H](C)C(=O)NC1CCN(CCN2CCNC2=O)CC1 1227342330 MPVDRVLVDDJHGD-CYBMUJFWSA-N 322.409 -0.370 30 20 DBED CN(C)CC1(C(=O)NC2CCN(CC(=O)NCC#N)CC2)CC1 1228875438 ZXQVWAMVDAMAEY-UHFFFAOYSA-N 321.425 -0.451 30 20 DBED C=CCN1CCS(=O)(=O)[C@H](CCNC(=O)CC(C)(C)O)C1 1230455332 RHOHTAOFNOKOQT-GFCCVEGCSA-N 318.439 -0.061 30 20 DBED N#CCN1CCC(NC(=O)CCCCCS(N)(=O)=O)CC1 1230479866 YOWLBSIRADBRSA-UHFFFAOYSA-N 316.427 -0.061 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC[C@@H]1CN(C)C(=O)c1cnns1 1230860186 DMCSTNBJHSHSMO-GHMZBOCLSA-N 321.406 -0.178 30 20 DBED CCN(CCOCCO)C(=O)C(=O)N1CCC[C@@](C)(C#N)C1 1261342730 HXXBWROYAVIEAF-HNNXBMFYSA-N 311.382 -0.004 30 20 DBED C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC[C@@H](NC(=O)C(N)=O)C1 1265224943 NUFOAMDJBWVPSJ-CHWSQXEVSA-N 324.425 -0.135 30 20 DBED CN(CC#N)C(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 1318078822 VPLAQHDJKQFRHI-VIFPVBQESA-N 312.351 -0.866 30 20 DBED C=C[C@@H](COC)NC(=O)C(=O)NCC1CCN(C(C)=O)CC1 1322507574 MJNVXYUQMXBOPT-ZDUSSCGKSA-N 311.382 -0.322 30 20 DBED C#CCOCCNC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1 1323017605 KTCFOGSHLHMHND-UHFFFAOYSA-N 305.290 -0.023 30 20 DBED C#CCOCCNC(=O)C(=O)N[C@H]1CCCN(C(=O)OC)C1 1323260107 DIFPSXBJIZZKDF-NSHDSACASA-N 311.338 -0.901 30 20 DBED C#CCSCCNC(=O)C(=O)NCC(C)(C)C(=O)NCC 1324963170 JRRWBAZCRGBNGY-UHFFFAOYSA-N 313.423 -0.253 30 20 DBED C=CC1CCN(C(=O)C(=O)NC[C@H]2CCS(=O)(=O)C2)CC1 1325643109 UDWNIEJEOLALJV-GFCCVEGCSA-N 314.407 -0.038 30 20 DBED C=CCn1cc(CNC(=O)C(=O)NC[C@H]2CCCN2CC)nn1 1325948036 RFAYYDUAJOBXHO-CYBMUJFWSA-N 320.397 -0.319 30 20 DBED C[C@H]1CCNC(=O)[C@H]1NC(=O)C(=O)Nc1cccc(C#N)n1 1326820262 KVRHAULHNFVTAM-KWQFWETISA-N 301.306 -0.467 30 20 DBED C=CCn1cc(C(=O)N2CCc3nn(C)c(=O)cc3C2)nn1 1327156267 YKWPVUHRFDSZTN-UHFFFAOYSA-N 300.322 -0.244 30 20 DBED N#Cc1ccc(CNC(=O)C(=O)NCCN2CCCC2=O)cc1 1328884313 MACLOEJFZCJEKQ-UHFFFAOYSA-N 314.345 -0.087 30 20 DBED CCS(=O)(=O)CCNC(=O)C(=O)N1CCC[C@@H](CC#N)C1 1328903197 NQTOJAFLSJLEPN-NSHDSACASA-N 315.395 -0.310 30 20 DBED C[C@@H](OC(=O)[C@@H]1CC[C@H](C(N)=O)O1)C(=O)NC1(C#N)CCC1 1328917308 SQNPJHPYDOZEHN-BBBLOLIVSA-N 309.322 -0.487 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N[C@H]1CCN(C(=O)NCC)C1 1329640263 VKMIMHXIKMLPFN-ZDUSSCGKSA-N 318.377 -0.609 30 20 DBED CCn1c(S)nnc1CCNC(=O)NCC(=O)NCC#N 1330098609 PIUTVODJSSWQAE-UHFFFAOYSA-N 311.371 -0.932 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)N[C@H]1C[C@H](C(=O)OC)C1 1331477841 CJPRGVYTLFRQDX-SRVKXCTJSA-N 310.350 -0.401 30 20 DBED C=CCn1c(CO)nnc1N1CCN(CC(=O)NC(C)C)CC1 1340539451 DTBVIIKCDKHVTE-UHFFFAOYSA-N 322.413 -0.397 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)NCCC(F)F)CC1 1351923454 DVOYWFZEJRSYBA-UHFFFAOYSA-N 324.353 -0.564 30 20 DBED Cc1nn(C)c(NC(=O)c2cn(C)c(=O)n(C)c2=O)c1C#N 1361432569 RHJNUAKENRNZMA-UHFFFAOYSA-N 302.294 -0.750 30 20 DBED N#Cc1cn(CCC(=O)N[C@H]2CC[C@@H](CO)CC2)c(=O)nc1O 1362243847 OAGCXNAJUFZXED-KLPPZKSPSA-N 320.349 -0.122 30 20 DBED Cc1c(C#N)c(=O)n(CC(=O)N=S(C)(C)=O)c(=O)n1C1CC1 1365265940 OBEFRKCVBSHILH-UHFFFAOYSA-N 324.362 -0.221 30 20 DBED CCN(CCNC(=O)c1ccc(C(N)=O)[nH]1)C(=O)[C@@H](C)C#N 1373955994 QYXNSGDMBVIOBW-VIFPVBQESA-N 305.338 -0.148 30 20 DBED C=C(Cl)CN1CCOC[C@H]1CNC(=O)CCn1cnnn1 1376667496 CKWHRBPBEZINRS-LLVKDONJSA-N 314.777 -0.367 30 20 DBED COCCN(CCNC(=O)c1c[nH]c(=O)cn1)C(=O)[C@H](C)C#N 1396151681 INCVIKRRTNGIAS-SNVBAGLBSA-N 321.337 -0.866 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CCN(C(=O)c2cn(C)c(=O)n2C)C1 1396941688 GJCQNNPUAQTALU-UWVGGRQHSA-N 305.338 -0.786 30 20 DBED C[C@H](C#N)C(=O)NC1CN(C(=O)[C@H]2CCc3nnn(C)c3C2)C1 1398676574 APDVVGNYLHQBEU-ZJUUUORDSA-N 316.365 -0.593 30 20 DBED CCN(CCC#N)C(=O)CN1CC[C@](O)(CNC(=O)C(C)C)C1 1407324470 ISUFSCIAQRYWMA-INIZCTEOSA-N 324.425 -0.042 30 20 DBED C=C(Cl)CN(C)[C@@H](C)CNC(=O)c1cn(CC(N)=O)nn1 1409685043 KZEOMMZGIUBAMW-VIFPVBQESA-N 314.777 -0.434 30 20 DBED CCc1nnc(C)cc1C(=O)NC[C@H](O)CNC(=O)[C@@H](C)C#N 1410129665 LCRCXEOVOSKMMO-GXSJLCMTSA-N 319.365 -0.286 30 20 DBED N#Cc1cn(CC(=O)N(C[C@@H]2CCOC2)C2CC2)c(=O)nc1O 1411620057 XAEQXAWGBYFRAB-JTQLQIEISA-N 318.333 -0.152 30 20 DBED C=C(Cl)CN1CC(O)(CNC(=O)C[C@@H]2CCN(C)C2=O)C1 1421458262 UOPXABBKACUZDR-NSHDSACASA-N 315.801 -0.230 30 20 DBED CC(C)(C)N1CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)CC1 1441972334 VFRFEVIUHPLXPS-UHFFFAOYSA-N 319.365 -0.237 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNCc1nnsc1Cl 1445166730 ZBPBSIADDLZGKK-NKWVEPMBSA-N 303.775 -0.082 30 20 DBED CC(=O)N1CCC(C(=O)N(C)CCNC(=O)[C@@H](C)C#N)CC1 1449191262 RBXAGRVYYIDBNF-NSHDSACASA-N 308.382 -0.021 30 20 DBED CC(=O)N1CC(C(=O)N2CC[C@@H](N(C)C(=O)[C@@H](C)C#N)C2)C1 1453646478 XKWALLYIBIWMCI-GXFFZTMASA-N 306.366 -0.316 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@](C)(NC(=O)C2(NC(N)=O)CC2)C1 1453853950 JAUYMQSFPVERSV-RNCFNFMXSA-N 307.354 -0.546 30 20 DBED CCC[C@@H](O)CCNC(=O)CCn1cc(C#N)c(O)nc1=O 1456583596 ODBRAGLSCNPHRY-LLVKDONJSA-N 308.338 -0.122 30 20 DBED CN(Cc1ccc(C(N)=O)cc1)c1[nH]c(=O)n(C)c(=O)c1C#N 1458074377 YFKHLUNSYSEVFP-UHFFFAOYSA-N 313.317 -0.319 30 20 DBED C[C@H]1C[C@H](NC(=O)NCCn2cc(C#N)c(O)nc2=O)CCO1 1469415979 BZAWHCKJCBBXHM-GXSJLCMTSA-N 321.337 -0.313 30 20 DBED C=C(Cl)CNC[C@H](O)CN(C)C(=O)CN1CCOCC1=O 1486281367 PDIRXRUDCAGQEB-NSHDSACASA-N 319.789 -0.993 30 20 DBED C[C@@H](C#N)C(=O)NCCN1CCN(Cc2nccn2C)CC1 1490486323 VJZQIVSUXVADAX-ZDUSSCGKSA-N 304.398 -0.186 30 20 DBED Cc1nc(C)c(CC(=O)N2CC(NC(=O)[C@@H](C)C#N)C2)c(O)n1 1530618814 VSHVFNKPRHZZQL-QMMMGPOBSA-N 317.349 -0.172 30 20 DBED C=C(Cl)CNCC1(O)CCN(C(=O)CNC(=O)O)CC1 1573343737 JKGWDTZMZFDVIE-UHFFFAOYSA-N 305.762 -0.050 30 20 DBED CO[C@H](C(=O)O)C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N 1574105264 OASCHPXZRDWGMF-QMMMGPOBSA-N 309.282 -0.844 30 20 DBED O=C(CN[C@H]1CCN(C(=O)C#CC2CC2)C1)NCc1cnn[nH]1 1577938955 RKRCJWJZGQKDLC-LBPRGKRZSA-N 316.365 -0.975 30 20 DBED COCn1ccc(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[nH]2)n1 1579848242 SBGJXKKNKKJMBF-UHFFFAOYSA-N 314.269 -0.486 30 20 DBED C#CCn1ccc(CN(CC)C(=O)C(=O)NC[C@H](F)C(=O)O)n1 1588509580 LBSYCCZCFHDHTQ-NSHDSACASA-N 324.312 -0.596 30 20 DBED C=CCn1cc(C(=O)N2CC[C@@H](C(=O)O)C[C@H]2C(=O)OC)nn1 1588910299 PCXKHHVEDJLBMS-KOLCDFICSA-N 322.321 -0.058 30 20 DBED O=C(N[C@@H]1CCN(O)C1=O)c1ccc(-c2nn[nH]n2)cc1F 1592989025 UJKNWOYRDADQPH-SECBINFHSA-N 306.257 -0.274 30 20 DBED Cc1onc(CC(=O)N2C[C@@H]3COC[C@]3(C(=O)O)C2)c1C#N 1594510096 AVGSQSNMQGFDNC-YMTOWFKASA-N 305.290 -0.043 30 20 DBED CN(CCC#N)S(=O)(=O)N1CC[C@]2(CC(C(=O)O)=NO2)C1 1598468756 JKGQYFBIPGPUBK-NSHDSACASA-N 316.339 -0.618 30 20 DBED N#Cc1ccc([C@@H](O)C(=O)NCCC(=O)NCCC(=O)O)cc1 1601096467 FDPGOQLWTKIFAJ-CQSZACIVSA-N 319.317 -0.311 30 20 DBED C#CCN(CC(=O)O)C(=O)CN(C)c1ncnc2[nH]cnc12 1602682379 OSLVOXYPLNSRQI-UHFFFAOYSA-N 302.294 -0.665 30 20 DBED C#CCOCCNC(=O)C(=O)N1C[C@H]2CCCC[C@@]2(C(=O)O)C1 1602727903 GRGAFBMDPKDDHP-MLGOLLRUSA-N 322.361 -0.144 30 20 DBED CC#CC[C@@H](CO)NS(=O)(=O)c1cncc(-c2nn[nH]n2)c1 1602889395 IULKVSWBGQZIMV-JTQLQIEISA-N 322.350 -0.686 30 20 DBED Cn1nccc1[C@@H](NCC(=O)N(CCC#N)CCC#N)C(=O)O 1605568628 XPLTXKIQYSQBGE-CYBMUJFWSA-N 318.337 -0.209 30 20 DBED N#CCNC(=O)CN1CCC(N2C[C@H](C(=O)O)CC2=O)CC1 1605585463 BYSFBCFDDHPLBN-SNVBAGLBSA-N 308.338 -0.976 30 20 DBED N#Cc1cn(CCC(=O)N[C@H]2CC=C(C(=O)O)C2)c(=O)nc1O 1608223378 UNETYQNDPBDVRZ-JTQLQIEISA-N 318.289 -0.500 30 20 DBED C#CCN(C(=O)c1c[nH]c(C(=O)O)c1)[C@H]1CCS(=O)(=O)C1 1609137382 QCOZONSNMSJASE-JTQLQIEISA-N 310.331 -0.025 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)[C@H](C)n2cncn2)C1 1649447573 LILUJPUSPKXLPC-NWDGAFQWSA-N 306.370 -0.668 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCN1CCN(C[C@@H](C)O)CC1 1752366058 QGJVMRBIAPMQEN-CVEARBPZSA-N 322.453 -0.801 30 20 DBED N#CCN1CCN(CCNC(=O)c2ccnc3[nH]nnc23)CC1 1752367916 XNIJAVUKTFZVKI-UHFFFAOYSA-N 314.353 -0.776 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@H](CNC(=O)C2(COC)CC2)C1 1753130007 WSILDFPQDLQOMQ-UONOGXRCSA-N 321.421 -0.011 30 20 DBED C#CCNC(=O)[C@H](C)NCCN(C)C(=O)C1(F)CCOCC1 1753196401 IMUJFALGIQTFIU-LBPRGKRZSA-N 313.373 -0.309 30 20 DBED C#CCN1CC[C@@H](CCNC(=O)[C@@H](CCC)S(N)(=O)=O)C1 1753329468 BLUCLSVAPMMTOB-CHWSQXEVSA-N 315.439 -0.095 30 20 DBED CC#CCN[C@@H](CC)CNC(=O)c1nc(C)n(-c2nc[nH]n2)n1 1753481772 YFDVJABTVDSOCR-NSHDSACASA-N 316.369 -0.185 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H]1CN(Cc2nccn2C)CCO1 1753648375 FMGSZIMRCHTRMV-KGLIPLIRSA-N 320.393 -0.225 30 20 DBED C=CCNC(=O)CNC[C@@H](C)N(C)C(=O)Cn1nccc1C 1753715503 YPBSHVMKFWYHGH-CYBMUJFWSA-N 307.398 -0.070 30 20 DBED C#CCNC(=O)[C@H](C)NCCN(CC)C(=O)c1cncn1C 1754056196 UGHJAJWWBQYUEI-LBPRGKRZSA-N 305.382 -0.390 30 20 DBED C#CCNC(=O)CNC/C=C\CNC(=O)c1cn(C)nc1Cl 1754192256 ABLNEENHOOZZAE-PLNGDYQASA-N 323.784 -0.302 30 20 DBED C#CCN(C(=O)Cc1ccn(C)n1)C1CCN(CCO)CC1 1754637535 OTLUHNWJWSMOPF-UHFFFAOYSA-N 304.394 -0.119 30 20 DBED COCC#CCN1[C@H]2CC[C@H]1CN(C(=O)[C@@H]1COC(=O)N1)CC2 1754657854 HZJVUXKIXYIIQI-IHRRRGAJSA-N 321.377 -0.190 30 20 DBED CC#CCN1CC[C@@](C)(NC(=O)[C@H](C)NS(=O)(=O)CC)C1 1754673853 IAMKOEALDAMQHP-GXTWGEPZSA-N 315.439 -0.082 30 20 DBED C#CCNCCN(CCO)C(=O)[C@@H]1CCc2nncn2CC1 1754886976 OIJNSHPYUXDYCA-CYBMUJFWSA-N 305.382 -0.726 30 20 DBED C=CCN1CCOC[C@H]1CNC(=O)CNC(=O)N1CCCC1 1754967755 OTYAEIXZIAOFRG-CYBMUJFWSA-N 310.398 -0.205 30 20 DBED C=CCN1CC2(C[C@@H](NC(=O)CCn3cnccc3=O)CO2)C1 1755065380 KAMQMMBISVITNQ-CYBMUJFWSA-N 318.377 -0.221 30 20 DBED C#CCNC(=O)CN[C@H]1CN(C(=O)c2n[nH]c(C)c2C)C[C@@H]1C 1755104667 IJKWFNCBCJIPLG-GWCFXTLKSA-N 317.393 -0.174 30 20 DBED N#CCN1CCN(CCCCCNC(=O)Cn2cnnn2)CC1 1755173349 RMCXEOCVAQQZBV-UHFFFAOYSA-N 320.401 -0.899 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C[C@@H](O)CNCc1cc(C)n(C)n1 1755779634 NLNHFWNATLTRJR-HIFRSBDPSA-N 322.409 -0.324 30 20 DBED C#CCNC(=O)[C@H](C)NC[C@@H](O)CN(C)C(=O)c1nccs1 1755792817 ZLWOVXFPRLAFOH-WDEREUQCSA-N 324.406 -0.697 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@H](NC(=O)c2ccc(O)nc2)C1 1757210894 LHJNRZFZUXKJQX-OLZOCXBDSA-N 317.345 -0.252 30 20 DBED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1nc[nH]n1 1847803435 YOIAADZVECCMSJ-WOPDTQHZSA-N 317.349 -0.342 30 20 DBED C=CCN(C)CC(=O)N1CCN(C(=O)CN(C)CC=C)CC1 121235596 XBFBVOCGMLVEPS-UHFFFAOYSA-N 308.426 -0.107 30 20 DBED C[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccc(F)c(C#N)c1 125332558 JTMABWOXLICIEW-QMMMGPOBSA-N 304.281 -0.017 30 20 DBED Cc1cc(C(=O)NC[C@H](C)C#N)nc2c1c(=O)n(C)c(=O)n2C 172351086 HNTGTOXRRFXWBK-MRVPVSSYSA-N 315.333 -0.170 30 20 DBED C=CCNC(=O)CNC(=O)NC[C@H]1CN(CC(C)C)CCO1 181249401 WMLACIFYYZHNGC-ZDUSSCGKSA-N 312.414 -0.055 30 20 DBED CC#CCCCC(=O)N[C@@H](C)C(=O)N1CCS(=O)(=O)CC1 186173381 PLJAKGYYSOYYKB-LBPRGKRZSA-N 314.407 -0.058 30 20 DBED COC[C@H](CCO)NC(=O)C(=O)N1CCc2ccc(C#N)cc21 270194970 OFMOBWRSFYJRII-ZDUSSCGKSA-N 317.345 -0.039 30 20 DBED C=C[C@H](CO)NC(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1 290692210 VCICGWFCHMXQSK-MFKMUULPSA-N 302.334 -0.230 30 20 DBED COCCN1CCC[C@H]1C/N=C(/O)c1cn(C)c(=O)nc1O 328845497 AGYKAUSZWUDPQM-JTQLQIEISA-N 310.354 -0.099 30 20 DBED CN1CCO[C@@H]2CN(C(O)=Nc3cccc(C(N)=O)n3)C[C@H]21 328916199 REFRLQKLFVJXFR-GHMZBOCLSA-N 305.338 -0.259 30 20 DBED C[C@H](N/C(O)=N/CCN1CCCS1(=O)=O)[C@@H]1CCOC1 329289618 QFDFUHOOWAWANY-WDEREUQCSA-N 305.400 -0.050 30 20 DBED Cn1c(O)ncc(C(=O)N2CC[C@H](N/C(O)=N/C3CC3)C2)c1=O 329445719 CLCOQAPGIBBGHX-VIFPVBQESA-N 321.337 -0.634 30 20 DBED CN1CCO[C@H](/C(O)=N/[C@H]2CCCN(S(C)(=O)=O)C2)C1 329733181 JKKOZFNQWWIEDT-QWRGUYRKSA-N 305.400 -0.303 30 20 DBED N#Cc1ccc(NCC(=O)N2CCO[C@@]3(CCOC3)C2)nc1 329966268 UWSHCHVBQMJPAJ-HNNXBMFYSA-N 302.334 0.383 30 20 DBED CC(C)(O)CN1CCN(/C(O)=N/[C@@H]2CC[S@](=O)C2)CC1 330028745 PCQFRVVZEQCWQS-GIPWTMENSA-N 303.428 -0.190 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)NC[C@H](C)N1CCN(C)CC1 330402300 VASKDIZHSNFLBN-OLZOCXBDSA-N 317.459 -0.452 30 20 DBED C=CCCS(=O)(=O)N(C)CC(=O)N[C@H]1CCS(=O)(=O)C1 331102346 PERILKSCJODBKD-JTQLQIEISA-N 324.424 -0.873 30 20 DBED N#CCC1(O)CN(C(=O)CNS(=O)(=O)c2cccs2)C1 331669263 ZUWVVWHMBDONPU-UHFFFAOYSA-N 315.376 -0.487 30 20 DBED Cn1ncc2c(=O)n(CC(=O)N[C@@H]3CCC[C@@H]3C#N)cnc21 332201494 VXPGFNKATPPFHG-MWLCHTKSSA-N 300.322 -0.062 30 20 DBED Cc1nn(C)c(C)c1CNS(=O)(=O)N1CCO[C@H](C#N)C1 337091665 LJXOIUAGCDONOM-LLVKDONJSA-N 313.383 -0.404 30 20 DBED CCN(CCNS(=O)(=O)N1CCO[C@H](C#N)C1)C1CC1 337103382 XXWDUDAYBOCRRY-GFCCVEGCSA-N 302.400 -0.471 30 20 DBED C=CCCS(=O)(=O)N[C@H]1CCN(CCC(=O)OC)C1=O 347154330 JIVAHDDKRAXSGM-JTQLQIEISA-N 304.368 -0.354 30 20 DBED C=C[C@@H](CO)NC(=O)NCC1CCN(S(C)(=O)=O)CC1 358576930 CEQZBWXHOAWEAW-NSHDSACASA-N 305.400 -0.496 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1CCC[C@H](N2CCNC2=O)C1 368804871 JLNOAAKYFFLLOV-RYUDHWBXSA-N 323.397 -0.124 30 20 DBED C=CCNC(=O)CNC(=O)Cn1nc2n(c1=O)CCCCC2 371518371 HUAMIOSNEYRSNV-UHFFFAOYSA-N 307.354 -0.810 30 20 DBED N#CCNC(=O)CNC(=O)N[C@H]1CCCC[C@H]1N1CCOCC1 376376175 KMZCXZLWJMFACD-QWHCGFSZSA-N 323.397 -0.431 30 20 DBED N#CC1(NC(=O)CN2CCN3C(=O)NC(=O)[C@@H]3C2)CCCCC1 408023691 UWTQBJQWGPLIIH-NSHDSACASA-N 319.365 -0.435 30 20 DBED COC(=O)C(C)(C)N1CCN(S(=O)(=O)[C@@H](C)C#N)CC1 416468622 ZMYVSCAFYKTFKE-JTQLQIEISA-N 303.384 -0.203 30 20 DBED COCCN1CCN(S(=O)(=O)CC2(CC#N)CC2)CC1=O 451361701 NSXTVCQOAIFJCG-UHFFFAOYSA-N 315.395 -0.199 30 20 DBED C#CCNC(=O)C1CCN(C[C@H](O)CN(C)CCOC)CC1 491387130 XIRAAEBFMKEGPE-OAHLLOKOSA-N 311.426 -0.613 30 20 DBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCC(=O)N1CCNCC1 518940331 DVEKDSCPNFOTDI-JSGCOSHPSA-N 310.398 -0.301 30 20 DBED COCCS(=O)(=O)Nc1[nH]nc(N2CCOCC2)c1C#N 547714528 NZVJGSQQLGOHDL-UHFFFAOYSA-N 315.355 -0.494 30 20 DBED COCCN(CCC#N)S(=O)(=O)N[C@@H](C(=O)O)C1CC1 565057697 JHXKCFQVAKMAPW-SNVBAGLBSA-N 305.356 -0.454 30 20 DBED C=CCOC[C@@H](NS(=O)(=O)CC1CCOCC1)C(=O)O 567807943 ATMOPVVFCBDALI-LLVKDONJSA-N 307.368 -0.012 30 20 DBED Cn1c(N2CCC3(CCOC3)CC2)c(C#N)c(=O)n(C)c1=O 588040122 MSCBOOVBVZLCGO-UHFFFAOYSA-N 304.350 -0.037 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N[C@H]1CCCN(CCCO)C1 594777163 LYTYTXYMTIBFEP-STQMWFEESA-N 318.443 -0.241 30 20 DBED C=C[C@H](O)C(=O)N1CCN(c2nccn3cnnc23)[C@H](C)C1 612683060 JJBDWARPYZAQFT-MNOVXSKESA-N 302.338 -0.292 30 20 DBED CN(C)CCCCN(C)S(=O)(=O)N1CCO[C@H](C#N)C1 619711428 CMXXDGCKHDKWRQ-GFCCVEGCSA-N 304.416 -0.271 30 20 DBED Cn1nnnc1COC(=O)CNC(=O)c1ccc(C#N)cc1 733482421 SFFUWXFKPSQHGC-UHFFFAOYSA-N 300.278 -0.445 30 20 DBED C#CCNC(=O)[C@@H](C)OC(=O)c1cc(N)cc(S(C)(=O)=O)c1 747726941 KJXMWRGHVMCNDT-SECBINFHSA-N 324.358 -0.033 30 20 DBED Cn1cc(-c2n[nH]cc2C(=O)OCC(=O)NCCC#N)cn1 781402677 MZYXORCCPZGLJZ-UHFFFAOYSA-N 302.294 -0.003 30 20 DBED C[C@H](OC(=O)CN(C)S(C)(=O)=O)C(=O)NC1(C#N)CCC1 787632878 CMPUMQMDKRMRMI-VIFPVBQESA-N 317.367 -0.628 30 20 DBED C#CCNS(=O)(=O)N1CCN(C[C@@H]2CC[C@@H](C)O2)CC1 789355591 GHVNPLIZTLXJAJ-OLZOCXBDSA-N 301.412 -0.361 30 20 DBED CO[C@H](C(=O)NS(=O)(=O)CCCC#N)c1cnn(C)c1 798847796 VJMOXTQQJFWWLE-JTQLQIEISA-N 300.340 -0.143 30 20 DBED N#CCNC(=O)CNC(=O)N[C@@H](CCO)Cc1ccccc1 807553505 RDMNSGZWNIDYGR-ZDUSSCGKSA-N 304.350 -0.081 30 20 DBED N#Cc1c(-c2nn[nH]n2)ncn1Cc1nnnn1-c1ccccc1 826382969 DEOKBNUQHNABOU-UHFFFAOYSA-N 319.292 -0.041 30 20 DBED C#Cc1cccc(CNC(=O)C(=O)NCCNCCOC)c1 842033099 MZUUDYOMMXOPSA-UHFFFAOYSA-N 303.362 -0.364 30 20 DBED N#Cc1ccc(NC(=O)COC(=O)[C@@H]2CCS(=O)(=O)N2)cc1 845367579 HBYMREJYYBXURB-NSHDSACASA-N 323.330 -0.268 30 20 DBED C#C[C@@](C)(CC)NC(=O)C(=O)c1cc(S(N)(=O)=O)cn1C 854703781 DJSZBVNJAHPFRK-ZDUSSCGKSA-N 311.363 -0.227 30 20 DBED CC(C)(O)C1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)CC1 867827457 CGOPOOHBURROKX-GFCCVEGCSA-N 317.411 -0.062 30 20 DBED C=C[C@@](C)(O)c1cn([C@@H](C)C(=O)N2CCN(C(C)=O)CC2)nn1 881169494 FRCHKLHCPSXPMW-XHDPSFHLSA-N 321.381 -0.077 30 20 DBED C#CCSCC(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C 887822415 ORFVNNWEBFWBIF-UHFFFAOYSA-N 318.358 -0.063 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@@H](C)[C@H](O)CC)CC1 900585799 ZKBQFLVWSSGUQX-UONOGXRCSA-N 309.410 -0.323 30 20 DBED C#CC[C@H](CO)NC(=O)NCCCN(CC)S(C)(=O)=O 914292693 YEYISUDEVSOZGB-LLVKDONJSA-N 305.400 -0.659 30 20 DBED CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H](C#N)C1 928224837 ROZLJVFQIKELBR-QWHCGFSZSA-N 306.366 -0.124 30 20 DBED Cc1cc(C)n(CC(=O)N2C[C@@H](NCC#N)[C@H](C)C2)c(=O)n1 939418984 UVWUOQQLZQOEQN-ZWNOBZJWSA-N 303.366 -0.180 30 20 DBED C[C@@H](C#N)C(=O)N1CCCC[C@H](NC(=O)CN2CCOCC2)C1 943196412 XIQHOHHYBQWSET-KBPBESRZSA-N 322.409 -0.024 30 20 DBED COCC(=O)N1CCO[C@@H](CNC(=O)c2ccc(C#N)[nH]2)C1 944557386 INUURYRYJBIILP-NSHDSACASA-N 306.322 -0.510 30 20 DBED C=CCN1CCC2(CC1)CN(C(=O)Cn1cnnn1)CCO2 949024954 YZRBREBRKFGORN-UHFFFAOYSA-N 306.370 -0.448 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2CCN2C(=O)[C@H]2CCCO2)nn1 950047556 KHNRBTOGOIFGJT-DGCLKSJQSA-N 319.365 -0.026 30 20 DBED C[C@H](C#N)C(=O)N1CCC(N(C)C(=O)[C@@H]2COC(=O)N2)CC1 953906270 XNSXIDWNTJCWDH-KOLCDFICSA-N 308.338 -0.296 30 20 DBED C#Cc1ccccc1CC(=O)N(C)C1CN(C(=O)CC(N)=O)C1 954930549 MYSFNEJZAZUZIC-UHFFFAOYSA-N 313.357 -0.245 30 20 DBED C=C(Cl)CN1C[C@H]2[C@H](NC(=O)[C@@H]3CC(=O)NC(=O)N3)[C@H]2C1 961908427 AMCLIIKJTSAQBV-QCBRBAQYSA-N 312.757 -0.617 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)c1ccnc(O)c1 964151910 JHLFOGIUMRFDJD-PWSUYJOCSA-N 318.333 -0.096 30 20 DBED CO[C@@H](C)C(=O)N1CCOC2(CN(C(=O)C#CC3CC3)C2)C1 965319700 KRQGTVULMOLILJ-LBPRGKRZSA-N 306.362 -0.126 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CN(C(=O)Cc3cnc[nH]3)CCO2)C1 965514876 KWHDENZOVKOPIL-LLVKDONJSA-N 317.349 -0.448 30 20 DBED COC1CC(C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2O)C1 966893730 MOHUCAQEQDUFGQ-PQAZSJQKSA-N 306.362 -0.487 30 20 DBED C[C@H](NC(=O)[C@@H]1CCc2nnnn2CC1)C1CN(CC#N)C1 970456611 FUTSMQXOVGXKLC-WDEREUQCSA-N 303.370 -0.414 30 20 DBED C=CCN[C@@H]1CCN(C(=O)C[C@@]2(C)CCS(=O)(=O)N2)C1 970566120 QBIRSCJSKSNORP-DGCLKSJQSA-N 301.412 -0.165 30 20 DBED CC#CCN1C[C@H]2CC[C@H]1CN2C(=O)c1nccnc1C(N)=O 972093600 VRHQIGZYEAOTKC-NWDGAFQWSA-N 313.361 -0.112 30 20 DBED C#CCN1CCO[C@]2(CCN(C(=O)c3nccnc3N)C2)C1 972308423 LVCKUEBGWAGYKC-OAHLLOKOSA-N 301.350 -0.391 30 20 DBED C[C@]1(C(=O)N2CC[C@]3(CN(CC#N)CCO3)C2)CCNC(=O)C1 972430836 LCFCMWHJGAWQAY-HOTGVXAUSA-N 320.393 -0.270 30 20 DBED C[C@@H](NCc1ncnn1C)[C@H]1CN(C(=O)C#CC2CC2)CCO1 979329511 IQKKJJMASGYBSQ-TZMCWYRMSA-N 317.393 -0.066 30 20 DBED C[C@H]1C[C@H](CNCc2nnn(C)n2)CN1C(=O)C#CC1CC1 980575654 RHFSUAXFBKOZCP-WCQYABFASA-N 302.382 -0.050 30 20 DBED C#CCN[C@@H]1CCN(C(=O)c2ccc(S(N)(=O)=O)o2)[C@H]1C 986482175 MGPTZGXWFFSVEW-VHSXEESVSA-N 311.363 -0.247 30 20 DBED C#Cc1ccc(C(=O)N2CC(NC(=O)[C@@H](C)n3cncn3)C2)cn1 990916481 YSTGZMLLAJJKNX-LLVKDONJSA-N 324.344 -0.144 30 20 DBED C[C@@H](C#N)C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1ncn(C)n1 996234986 IZVOKKGMRUZCNX-VLEAKVRGSA-N 302.338 -0.164 30 20 DBED C[C@H](C#N)C(=O)N1CC(NC(=O)[C@@H]2CCc3nn[nH]c3C2)C1 996393037 VTEUNDIVXHKGJO-RKDXNWHRSA-N 302.338 -0.604 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)[C@@H]3COC(=O)N3)C2)nc1 997088501 RYDSBOMZHJVXSN-LBPRGKRZSA-N 314.301 -0.888 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)c3cn(CC)nn3)C2)cn1 997101227 DNDPBUYXAPOSGU-UHFFFAOYSA-N 324.344 -0.071 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c1 1001797495 ZUYXIXHUYJUSGC-ZYHUDNBSSA-N 317.305 -0.260 30 20 DBED NC(=O)C(=O)N1CC[C@@H]([C@@H]2CCCN(C(=O)C#CC3CC3)C2)C1 1003137250 FAJTVMOTJBAXKN-ZIAGYGMSSA-N 317.389 -0.028 30 20 DBED C[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1NC(=O)C(N)=O 1005208646 VCGAAOOPSCQZMV-GZMMTYOYSA-N 303.322 -0.662 30 20 DBED C=CCn1cc(C(=O)N2CC[C@@]3(CN(C(C)=O)CCO3)C2)nn1 1007647910 AIWSUDDLOOZXDJ-OAHLLOKOSA-N 319.365 -0.073 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1[C@@H]2CN(C(=O)C(N)=O)C[C@@H]12 1009109135 ZYGOWLSDBCHEJV-BQUFFADESA-N 321.377 -0.727 30 20 DBED CCN1C[C@@H](C(=O)N2CCN(C(=O)[C@@H](C)C#N)CC2)CC1=O 1011247929 CIVHEKUERPBYLG-RYUDHWBXSA-N 306.366 -0.315 30 20 DBED C#CCN1CCC(C(=O)N[C@H]2CCN([C@H](C)C(N)=O)C2)CC1 1016330366 SAFCBAGQNCMHKE-OCCSQVGLSA-N 306.410 -0.604 30 20 DBED C#CCN1CCC2(CC1)C[C@@H]2NC(=O)CN1CCC(=O)NC1=O 1016919621 NNXKDITUUUYQFM-LBPRGKRZSA-N 318.377 -0.468 30 20 DBED C[C@@H]1CN(C(=O)C(N)=O)C[C@@]2(CCN(C(=O)C#CC3CC3)C2)O1 1017847219 IOTMDURZXCCGOL-BZNIZROVSA-N 319.361 -0.897 30 20 DBED C=CCN1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCN(C)S1(=O)=O 1018053331 VFOPDDDAIQMTRT-XQQFMLRXSA-N 313.423 -0.119 30 20 DBED C=CCN1CC[C@@H](N[C@H]2C[C@@H](NC(=O)Cc3cc[nH]n3)C2)C1=O 1021920565 MXJPOFJVFIAHAT-HZSPNIEDSA-N 317.393 -0.024 30 20 DBED C#Cc1cncc(C(=O)N[C@@H]2CN(C(=O)CSC)C[C@H]2O)c1 1025551808 PRHCCVKOZUNFHQ-CHWSQXEVSA-N 319.386 -0.273 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(CCN2CCNC2=O)C1 1030978748 RZFLENUGNVJGPG-OLZOCXBDSA-N 308.382 -0.597 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCN([C@H]2CCNC2=O)C1 1032837208 JPRWEFYHJDJVBJ-RDBSUJKOSA-N 304.394 -0.837 30 20 DBED C=CCN1CCO[C@H](CNC(=O)[C@H]2CCCS(=O)(=O)C2)C1 1035531809 UFNBVXSKUZQINY-QWHCGFSZSA-N 316.423 -0.186 30 20 DBED C[C@H]1CN(C(=O)CCn2cc[nH]c(=O)c2=O)CC[C@@H]1NCC#N 1036216513 CWVVJKAFSQBAQN-RYUDHWBXSA-N 319.365 -0.723 30 20 DBED N#Cc1cccc(CN2CC[C@H]2CNC(=O)[C@H]2CNC(=O)N2)c1 1038653391 WVROODAHYFQSMN-UONOGXRCSA-N 313.361 -0.070 30 20 DBED CC(C)C#CC(=O)NC[C@@]1(O)CCN(C(=O)c2cccnn2)C1 1039666078 XSOXMZNHLMKVLA-INIZCTEOSA-N 316.361 -0.171 30 20 DBED O=C(C#CC1CC1)NC[C@]1(O)CCN(C(=O)C2=CCOCC2)C1 1039681012 RSEJRNQSZRVRMU-QGZVFWFLSA-N 318.373 -0.174 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)c2ccsn2)C1 1040169743 PZGSGZOWAKEAGC-ZANVPECISA-N 308.363 -0.004 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)Cc2cncn2C)C1 1040760152 MNTOYTOUWQHKEV-NHYWBVRUSA-N 319.365 -0.798 30 20 DBED C=CCCCC(=O)N1CC[C@](O)(CNC(=O)Cc2nc[nH]n2)C1 1040966371 ASEDCRJSIDNSJW-HNNXBMFYSA-N 321.381 -0.217 30 20 DBED CC#CCN1CC[C@]2(CCN(C(=O)CN3C(=O)CNC3=O)C2)C1 1041820416 PKQWJNWYBNVSOM-INIZCTEOSA-N 318.377 -0.514 30 20 DBED C=CCN1CC[C@]2(CCN(C(=O)c3cn(CC(N)=O)nn3)C2)C1 1041845492 FQTTXHJWFJZANI-HNNXBMFYSA-N 318.381 -0.513 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)Cc2cnn(C)c2C)C1 1041960242 JMJUUPFPMKPDCU-UHFFFAOYSA-N 320.393 -0.073 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCC2(F)F)C1 1042052773 SPDFNAAETXDFJT-JTQLQIEISA-N 318.320 -0.076 30 20 DBED C=CCCOCC(=O)N1CC(O)(CNC(=O)Cc2ccon2)C1 1042220224 MTRDSIBXWGXQFY-UHFFFAOYSA-N 323.349 -0.501 30 20 DBED Cn1cncc1C(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042963715 SVOVBJXHPGHEHA-UHFFFAOYSA-N 302.334 -0.863 30 20 DBED C#CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)c2cocc2C)C1 1043044309 WISBDWUNEZIGJB-GFCCVEGCSA-N 320.345 -0.071 30 20 DBED C=CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2ccn(C)n2)C1 1043125261 DFDZEPCRDCIYQN-NSHDSACASA-N 322.365 -0.686 30 20 DBED C[C@@H]1CN(C(=O)[C@@H]2COC(=O)N2)C[C@H]1Nc1nccnc1C#N 1043155357 UJLTXELJKDNTBU-IEBDPFPHSA-N 316.321 -0.285 30 20 DBED C=CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)C2=CCOCC2)C1 1043570444 IMWUFGULCQFLLS-LBPRGKRZSA-N 324.377 -0.386 30 20 DBED N#Cc1ccc(N2C[C@H]3[C@@H](C2)OCCN3C(=O)CC(N)=O)nc1 1043684977 KSCZLMXRRXJSJA-NWDGAFQWSA-N 315.333 -0.755 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)[C@H](C)C2CCOCC2)C1 1043828539 BHEIYCJDUZSBNS-VXGBXAGGSA-N 323.393 -0.102 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)Cc2cncn2C)C1 1044012033 ZMJZWXWZEJQHDP-UHFFFAOYSA-N 320.393 -0.136 30 20 DBED C=C[C@H](C)[C@@H](C)C(=O)NCC1(O)CN(C(=O)Cn2cncn2)C1 1044981536 YPAGRUXHKDZLLQ-NWDGAFQWSA-N 321.381 -0.574 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)c2c[nH]c(=O)cn2)C1 1045400662 AYBLNTQTWCVTAU-UHFFFAOYSA-N 320.349 -0.715 30 20 DBED C=CCCCC(=O)NCC1(O)CN(C(=O)c2cc(=O)n(C)o2)C1 1045451573 WIFWWCDXILPCDO-UHFFFAOYSA-N 323.349 -0.362 30 20 DBED CCO[C@@H](C(=O)N1CC(O)(CNC(=O)[C@H](C)C#N)C1)C1CC1 1045551727 LGNQGBMGBCQBDE-ZYHUDNBSSA-N 309.366 -0.349 30 20 DBED C=CCN1CC[C@H](NC[C@]2(C)CCN(C(=O)CC(N)=O)C2)C1=O 1046886723 IKADSPABVAWBRV-LRDDRELGSA-N 322.409 -0.523 30 20 DBED C#CCN1C[C@H]2CN(C(=O)Cn3nnnc3C(C)C)C[C@H]2C1 1049104356 VLZKPETXTHPIST-BETUJISGSA-N 302.382 -0.180 30 20 DBED C#CCN1CCOC[C@H]1CNC(=O)c1cc(C(N)=O)cn1C 1051002083 AXQJALYBQMGTHG-GFCCVEGCSA-N 304.350 -0.812 30 20 DBED Cn1cc(C(N)=O)cc1C(=O)NC[C@H]1COCCN1CC#N 1051002738 IDPQYZFMGLJBFB-NSHDSACASA-N 305.338 -0.922 30 20 DBED C=C1CC(C)(C(=O)N2CCO[C@H](CNCc3nnnn3C)C2)C1 1051814780 JTXYEIMJIOIYIA-GFCCVEGCSA-N 320.397 -0.117 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)c1cn(C)c(O)n1)CCO2 1053409776 GMSYQKKUSCHDEI-UHFFFAOYSA-N 304.350 -0.324 30 20 DBED C#CCN1CC2(C1)CN(C(=O)[C@H]1CCCS1(=O)=O)CCO2 1053538781 JIMBCXGBSVLRJT-GFCCVEGCSA-N 312.391 -0.890 30 20 DBED N#CCN1CC2(C[C@@H](NC(=O)c3cc4ncccn4n3)CO2)C1 1053962810 AJYPMZCKQZCECD-LLVKDONJSA-N 312.333 -0.174 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CC[C@H](CNC(=O)CNC(N)=O)CC1 1054808320 AZJABZIRBMEHKS-SRVKXCTJSA-N 323.397 -0.147 30 20 DBED C[C@@H](C#N)C(=O)N[C@]1(CO)CCCN(C(=O)c2ccnnc2)C1 1056096539 ITOYWIBDPRATPR-XHDPSFHLSA-N 317.349 -0.280 30 20 DBED CN(c1cnc(C#N)cn1)[C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 1057017510 CPHKMWFCGNTORS-QWRGUYRKSA-N 315.337 -0.933 30 20 DBED C#CCOCCC(=O)N(CCO)CCNC(=O)c1ccoc1 1057580520 DJSKYXXAYDGZPJ-UHFFFAOYSA-N 308.334 -0.130 30 20 DBED CN1CC[C@H](C(=O)N[C@@H]2CCN(c3nccnc3C#N)C2)C1 1058373413 HWOHBOUBXGYGNT-NWDGAFQWSA-N 300.366 -0.005 30 20 DBED N#Cc1cncc(N2CC[C@@H](NC(=O)C3CS(=O)(=O)C3)C2)n1 1058456841 YFAYVGKPVYRZKT-SNVBAGLBSA-N 321.362 -0.912 30 20 DBED COCCO[C@H](C)C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N 1058656939 NGOYZQIXYBMJHF-NWDGAFQWSA-N 315.370 -0.865 30 20 DBED Cc1cc(=N[C@H]2CCN(C(=O)C3(C(N)=O)CC3)C2)c(C#N)c[nH]1 1059039393 DQSAESLIWRLPNB-LBPRGKRZSA-N 313.361 -0.038 30 20 DBED N#Cc1nccc(N2[C@H]3CC[C@H]2CC(NC(=O)C(N)=O)C3)n1 1059510151 GQWLJUBGUKQVAN-UWVGGRQHSA-N 300.322 -0.550 30 20 DBED C[C@@H](C#N)C(=O)NCC[C@@H]1CCN(C(=O)c2cnn(C)n2)C1 1059931400 VOMXJHKTRYWZQQ-WDEREUQCSA-N 304.354 -0.057 30 20 DBED C=CCOCC(=O)NCC[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1 1060029468 JWCZSRYUWMDDBP-OLZOCXBDSA-N 323.393 -0.178 30 20 DBED N#Cc1nc(=NC[C@H]2CCN(C(=O)[C@H]3CCNC3=O)C2)cc[nH]1 1060952480 DCZGQKOLWPHHRK-MNOVXSKESA-N 314.349 -0.833 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@H]1COCCN1C(=O)c1ccon1 1061542088 HXFRQUMTUSHOPO-IAQYHMDHSA-N 323.349 -0.041 30 20 DBED N#Cc1nccc(N2CC[C@H](CNC(=O)[C@H]3COC(=O)N3)C2)n1 1061593111 UZOGKARWQDFXGN-NXEZZACHSA-N 316.321 -0.601 30 20 DBED C=CCCCC(=O)NC[C@H]1COCCN1C(=O)Cn1cnnn1 1061829681 WMRHJCBNCQHUCH-LBPRGKRZSA-N 322.369 -0.627 30 20 DBED COc1cc(C(=O)N2CCOC[C@H]2CNC(=O)[C@H](C)C#N)on1 1061849153 ZXYKPWGGMODRAY-NXEZZACHSA-N 322.321 -0.200 30 20 DBED N#Cc1cnc(N2CC[C@@H]3CN(C(=O)C(N)=O)CC[C@H]32)cn1 1064034480 WTUAVEASMHYYEW-MWLCHTKSSA-N 300.322 -0.739 30 20 DBED C#CCOCCC(=O)NC1(CNC(=O)c2nnn(C)n2)CCC1 1064046599 SMLDRJCFFNXPGN-UHFFFAOYSA-N 320.353 -0.981 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)c2nccnc2N)CCC1 1064301957 BBFAZQLTFJTVDG-SECBINFHSA-N 302.338 -0.013 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCO[C@H](CNC(=O)C(F)F)C1 1065097683 XMFTWNLNSWVKMZ-NOZJJQNGSA-N 306.309 -0.078 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CN(C(=O)CCc2ncc[nH]2)CCO1 1065101694 VAANFYWWPBMZCF-RYUDHWBXSA-N 319.365 -0.154 30 20 DBED CCOCC(=O)N1CC[C@@H](N2CCN(C(=O)[C@@H](C)C#N)CC2)C1 1065683057 SFVMMLIJHJGGQZ-UONOGXRCSA-N 322.409 -0.072 30 20 DBED C=CCCC(=O)N1CCN([C@@H]2CCN(C(=O)CC(N)=O)C2)CC1 1065694741 OQQSUWZHXSWFNH-CYBMUJFWSA-N 322.409 -0.427 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H]1COC2(C1)CN(C(C)=O)C2 1068868375 NFTFFIVDGXZZAY-ZIAGYGMSSA-N 323.393 -0.037 30 20 DBED C[C@H]1C[C@@H](Nc2cncc(C#N)n2)CN1C(=O)CS(C)(=O)=O 1069042006 QVQDUKHLGGKQIB-VHSXEESVSA-N 323.378 -0.206 30 20 DBED C#CCOCCC(=O)N1CC[C@]2(CCCN(C(=O)C(N)=O)C2)C1 1069776838 SUUIEQXLEUSABI-MRXNPFEDSA-N 321.377 -0.647 30 20 DBED C=CCN1CC[C@H](N2C[C@H](n3ccnn3)[C@H](NC(C)=O)C2)C1=O 1069885471 JEHKOIHSXOLIDK-RDBSUJKOSA-N 318.381 -0.574 30 20 DBED Cn1cnc([C@@H]2CN(C(=O)c3cnon3)C[C@H]2NCC#N)c1 1070547626 BMINKKNOKXFJIA-JOYOIKCWSA-N 301.310 -0.476 30 20 DBED CC#CCN1CCNC(=O)CCN(C(=O)C2=COCCO2)CC1 1070936779 SGAMHNSGYXUDBE-UHFFFAOYSA-N 321.377 -0.452 30 20 DBED CO[C@H]1CC[C@@H](C(=O)N2CCC(=O)NCCN(CC#N)CC2)C1 1070975296 JWUHHGWCJCDDEJ-KGLIPLIRSA-N 322.409 -0.024 30 20 DBED CC#CCN1CCNC(=O)CCN(C(=O)c2nc[nH]n2)CC1 1071009317 KZLCGIMKKQIKKT-UHFFFAOYSA-N 304.354 -0.908 30 20 DBED C[C@H]1CN(C(=O)Cn2cncn2)C[C@]2(CCN(CC#N)C2)O1 1071238000 GYAHZJOSXXHGSU-GXTWGEPZSA-N 304.354 -0.507 30 20 DBED C[C@H]1CC[C@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)CN1CC#N 1071968350 UHKIHBUTKTZLKA-QWRGUYRKSA-N 321.381 -0.191 30 20 DBED CC#CCN1CCCO[C@H](CNC(=O)[C@H]2CCCC(=O)N2)C1 1073652024 MXFOHWKKYRVACK-ZIAGYGMSSA-N 307.394 -0.115 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@H]3OCCN(CCO)[C@H]3C2)c1 1074204841 IZNBVAWTUUBHBC-UONOGXRCSA-N 304.350 -0.206 30 20 DBED CC#CCN1CCO[C@H]2CCN(C(=O)c3cnn(C)n3)C[C@H]21 1074360180 MAZHNCKKDVUMCO-KGLIPLIRSA-N 303.366 -0.246 30 20 DBED N#CCN1C[C@@H]2CCN(C(=O)C[C@H]3CCS(=O)(=O)C3)[C@@H]2C1 1076007618 IEXLYVPYQSMLHG-FRRDWIJNSA-N 311.407 -0.133 30 20 DBED C#CCOCCC(=O)N[C@@H](C)CCNC(=O)[C@]1(C)CNC(=O)C1 1077453506 HXOKFDBGFKYXIU-LRDDRELGSA-N 323.393 -0.437 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3nncn3C2)C1 1078223909 UNVUHASAWSUYSS-YNEHKIRRSA-N 303.366 -0.975 30 20 DBED C=CCOCC(=O)N[C@@H](C)CCNC(=O)[C@@]1(C)CCNC1=O 1078451117 PTUAWSALFAHQST-XHDPSFHLSA-N 311.382 -0.274 30 20 DBED C#CCOCCC(=O)N1CC(N(CC)C(=O)c2ncn(C)n2)C1 1079712015 FCDSRAXDYLHSKF-UHFFFAOYSA-N 319.365 -0.472 30 20 DBED C=CCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)c2nnn(C)n2)C1 1079983335 WIXSGQHZUPPCDT-JTQLQIEISA-N 322.369 -0.526 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(CO)(NC(=O)c2ncc[nH]2)CC1 1080848581 RSUUALJZQUXOCN-JTQLQIEISA-N 305.338 -0.347 30 20 DBED CC(C)N(C)CC(=O)NC1(CO)CCN(C(=O)[C@@H](C)C#N)CC1 1080889930 CKNNQCMSTNMJSB-ZDUSSCGKSA-N 324.425 -0.044 30 20 DBED C=C(C)C[C@H](C)C(=O)N1CCC(CO)(NC(=O)C(N)=O)CC1 1080978412 BNWZQJOMPZFGAL-NSHDSACASA-N 311.382 -0.456 30 20 DBED C#CCCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2cn[nH]c2)C1 1081295772 VCLAEXRKVPYQJP-CHWSQXEVSA-N 304.350 -0.238 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)c2cccnn2)C[C@H]1O 1081440059 XLBIWDVWLGUHCK-TZMCWYRMSA-N 316.361 -0.171 30 20 DBED C#CCOCCC(=O)NC[C@@H]1CN(C(=O)c2cnco2)C[C@H]1O 1081488619 KAFOBXQTYDLDKX-VXGBXAGGSA-N 321.333 -0.736 30 20 DBED C=CCCCC(=O)NC[C@H]1CN(C(=O)c2cnn[nH]2)C[C@@H]1O 1081703156 MNSRZYPMOUBRDB-JQWIXIFHSA-N 307.354 -0.290 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](CNC(=O)Cc2nc[nH]n2)[C@@H](O)C1 1081794862 VFWFYPXUNMXVHX-QWRGUYRKSA-N 321.381 -0.505 30 20 DBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCC[C@H]1CNC(=O)C(N)=O 1082103771 ZEDFRFKCRANIIO-XQQFMLRXSA-N 323.393 -0.050 30 20 DBED C=C(Cl)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)Cn1cnnn1 1082994999 LUHUZDVYYRCTRH-WDEREUQCSA-N 312.761 -0.663 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1ccc2nncn2c1 1083222595 AIBWSJHTKJDXRM-QWHCGFSZSA-N 312.333 -0.222 30 20 DBED C[C@H](C(=O)N1CCO[C@@H]2CN(CC#N)C[C@@H]21)N1CCCCC1=O 1083282448 DDNRPCVCXPIGGP-HZSPNIEDSA-N 320.393 -0.177 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)c2cncc3ncn(C)c23)C1 1083538596 HNCPBSCBCWYUAS-KGLIPLIRSA-N 313.361 -0.234 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(Cc2nonc2C)C[C@@H]1O 1083789620 LXAMFMSHVVWNBK-ZZVYKPCYSA-N 322.365 -0.370 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2ccc3c(O)ncnc3c2)C1 1084063462 DGKSFCUUIWHKKY-KGLIPLIRSA-N 312.329 -0.257 30 20 DBED C#CCCN1C[C@H](O)[C@H](NC(=O)c2c(C)nn3cccnc23)C1 1084068157 NXSRFSVFNFMEPA-OLZOCXBDSA-N 313.361 -0.164 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](NC(=O)c2cccc(C(N)=O)n2)C1 1084101255 FRJDHZWEBBBZJH-NEPJUHHUSA-N 324.768 -0.292 30 20 DBED CS[C@@H](C)C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1O 1090382552 JOZMDPRLXNPKMR-JMJZKYOTSA-N 307.379 -0.235 30 20 DBED Cc1ccc(C#N)c(N2C[C@@H](O)[C@H](NC(=O)CCN(C)C)C2)n1 1090524916 GLBXCHMKMKYJIS-ZIAGYGMSSA-N 317.393 -0.121 30 20 DBED CC#CCN1CC[C@H](NC(=O)c2cc(C(N)=O)ccn2)[C@H](O)C1 1090858144 NSEKKMFNKXLMQB-GXTWGEPZSA-N 316.361 -0.631 30 20 DBED COCCC(=O)N1CCO[C@@H]2CN(c3ccc(C#N)nn3)C[C@@H]21 1091032645 YOAJVFIKVCDVCR-QWHCGFSZSA-N 317.349 -0.199 30 20 DBED N#Cc1cnccc1N1C[C@H]2C(NC(=O)C3(C(N)=O)CC3)[C@@H]2C1 1093355346 FTSQKIPDEGAQSR-GHMZBOCLSA-N 311.345 -0.230 30 20 DBED N#Cc1nccc(N2C[C@@H]3C(NC(=O)CCc4cnn[nH]4)[C@H]3C2)n1 1093360447 FKJPLJSOHSAXIN-QWRGUYRKSA-N 324.348 -0.350 30 20 DBED Cc1cc(C#N)nc(NCCNC(=O)CCN2CCOCC2)n1 1093732895 DKAFUPBNGHAOLS-UHFFFAOYSA-N 318.381 -0.093 30 20 DBED N#Cc1ccc(NCCCNC(=O)C2CS(=O)(=O)C2)nn1 1094611171 WAHMLQPEMXGNKL-UHFFFAOYSA-N 309.351 -0.689 30 20 DBED CC#CCN1CC(N2C[C@@H](NC(=O)[C@H]3CCCCO3)CC2=O)C1 1094722566 VRRCXDMLMJRFGB-DZGCQCFKSA-N 319.405 -0.020 30 20 DBED C[C@@H]1CC[C@H](C(=O)N[C@H]2CC(=O)N(C3CN(CC#N)C3)C2)O1 1094789215 XQPXLEGZQWGYAS-NTZNESFSSA-N 306.366 -0.521 30 20 DBED C=CCCN1CC(N2C[C@@H](NC(=O)[C@@H]3CCN(C)C3)CC2=O)C1 1094815395 RVRAYSRSUGQCDH-KGLIPLIRSA-N 320.437 -0.085 30 20 DBED N#Cc1c[nH]c(C(=O)N2C[C@H]3C[C@@H](NCC(N)=O)C[C@H]2C3)c1 1094889790 RKGNJLUETBPDLL-MVWJERBFSA-N 301.350 -0.046 30 20 DBED CNC(=O)CC(=O)NC1CCN(c2ccnc(C#N)n2)CC1 1095406751 PXDBEXDOUCLGBX-UHFFFAOYSA-N 302.338 -0.431 30 20 DBED CN(CCCNC(=O)C1(C(N)=O)CC1)c1cncc(C#N)n1 1095717968 FOFOQJAFOCRVQW-UHFFFAOYSA-N 302.338 -0.444 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1C[C@@H](Nc2ncnc3c2nnn3C)C1 1097166187 UNJKIPJMDFXCAN-XHNCKOQMSA-N 300.326 -0.023 30 20 DBED C#CCN(CCO)C1CCN(C(=O)[C@H]2CC(=O)N(CC)C2)CC1 1098384484 WZYZTQYNBNDXDQ-AWEZNQCLSA-N 321.421 -0.227 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H]2CC[C@H]1[C@H]1CN(CC#C)C[C@@H]21 1099468645 RKLSGYXACARCQX-UGUYLWEFSA-N 313.401 -0.072 30 20 DBED CN(CCNC(=O)[C@H]1CCS(=O)(=O)N1)c1ccc(C#N)nc1 1100120542 DPYSJFZAAUWWRD-GFCCVEGCSA-N 323.378 -0.803 30 20 DBED C=CCCOCC(=O)N[C@H]1CCN(Cc2n[nH]c(C)n2)C[C@H]1O 1100139515 RWKOZONRFGBULV-QWHCGFSZSA-N 323.397 -0.243 30 20 DBED C[C@H](NC(N)=O)C(=O)NC[C@@H]1CCN(c2nccnc2C#N)C1 1100969523 XJNPQKITTOCWKT-UWVGGRQHSA-N 317.353 -0.652 30 20 DBED COC[C@@H](OC)C(=O)NC[C@@H]1CCN(c2cncc(C#N)n2)C1 1101051103 UERSHRZJBOTUFC-WCQYABFASA-N 319.365 -0.048 30 20 DBED Cc1nc(CC(=O)N(C)CCNc2cncc(C#N)n2)n[nH]1 1101596960 QSLZRCWJWYEFPT-UHFFFAOYSA-N 300.326 -0.112 30 20 DBED C#CCN1CC2(C[C@@H](NC(=O)C3(C(N)=O)CC3)c3nccn32)C1 1101641641 WACTZLAKDYPDMH-LLVKDONJSA-N 313.361 -0.646 30 20 DBED C#CCCN1C[C@@H](C)[C@H](CCNC(=O)Cn2ncn(C)c2=O)C1 1103164994 GKKWQSTTWIUDSA-ZIAGYGMSSA-N 319.409 -0.321 30 20 DBED C#CCN1C[C@@H](C)[C@H](CCNC(=O)CC[C@@H]2NC(=O)NC2=O)C1 1103705616 DRMSXYYNASUXFV-UPJWGTAASA-N 320.393 -0.318 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H](C)[C@H](CCN[C@@H](C)C(N)=O)C1 1104097081 AOKFYKWHRQRJBA-FRRDWIJNSA-N 322.409 -0.926 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(c2cncc(C#N)n2)CCO1 1104297961 INHUZRZFPOMNOQ-ZDUSSCGKSA-N 317.349 -0.128 30 20 DBED Cc1nc[nH]c1C(=O)N1CC(n2cc(CNCC#N)nn2)C1 1105384763 OJBSYAHBHPDODE-UHFFFAOYSA-N 300.326 -0.380 30 20 DBED CN(CCN(C)c1nccnc1C#N)C(=O)[C@@H]1CCC(=O)NC1 1105599898 SFZZDNOSNTXNKI-LLVKDONJSA-N 316.365 -0.231 30 20 DBED CN(CCN(C)c1cncc(C#N)n1)C(=O)[C@@H]1CCC(=O)NC1 1105599972 WAZROKDEBDNMLR-LLVKDONJSA-N 316.365 -0.231 30 20 DBED C#CCCN1CC(OC2CCN(C(=O)CNC(=O)NC)CC2)C1 1105713523 ISVSVGABZAWNQI-UHFFFAOYSA-N 322.409 -0.370 30 20 DBED N#Cc1nc(=NC[C@@H](O)CNC(=O)c2cccc(O)n2)cc[nH]1 1105775543 IAZLEUQHYLUOOZ-SECBINFHSA-N 314.305 -0.926 30 20 DBED Cn1ccc(CC(=O)NC[C@@H](O)CN=c2cc[nH]cc2C#N)n1 1105819453 YXIZSKVDMFLDFK-ZDUSSCGKSA-N 314.349 -0.760 30 20 DBED CCn1nncc1C(=O)NC[C@@H](O)CNc1nccnc1C#N 1105823053 ZVSJHAOWFGUXFQ-VIFPVBQESA-N 316.325 -0.838 30 20 DBED CN(C)CCOCC(=O)NC[C@H](O)CNc1ncccc1C#N 1105904769 XJMHRNQCLYBKND-ZDUSSCGKSA-N 321.381 -0.580 30 20 DBED Cc1nn[nH]c1C(=O)NC[C@H](O)CNc1snc(C)c1C#N 1106036321 YOXSZWHPKLUABG-QMMMGPOBSA-N 321.366 -0.047 30 20 DBED C[C@@H](CCN=c1cc[nH]c(C#N)n1)NC(=O)[C@]1(C)CCNC1=O 1106565936 NDIKDYBIDARGML-ZUZCIYMTSA-N 316.365 -0.397 30 20 DBED CCN(CCNc1cnc(C#N)cn1)C(=O)[C@H]1C[C@H]1C(N)=O 1106952011 OITFMTAYQAGNAD-MNOVXSKESA-N 302.338 -0.270 30 20 DBED N#Cc1nc(=NC/C=C\CNC(=O)c2ccc(O)nn2)cc[nH]1 1107020825 IZZVEHMOTFXRGF-UPHRSURJSA-N 311.305 -0.336 30 20 DBED C#CCOCCC(=O)NCc1cn(C2CN(CC#C)C2)nn1 1107170991 HMMXPRSOCIVVDG-UHFFFAOYSA-N 301.350 -0.576 30 20 DBED C=CCNC(=O)CN1CCO[C@](C)(CNC(=O)[C@@H](C)OC)C1 1107777156 ICGAEZCTWLJTCO-IUODEOHRSA-N 313.398 -0.469 30 20 DBED C[C@H](CNc1ccc(C#N)cn1)NC(=O)[C@H]1CCS(=O)(=O)N1 1107780594 OABKNDDIVMQHHG-MWLCHTKSSA-N 323.378 -0.438 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)[C@H]2CCN(C)C(=O)C2)C1 1108031661 CMLXIRBIKOIOOW-BBRMVZONSA-N 307.394 -0.305 30 20 DBED CC#CCN1CCO[C@](C)(CNC(=O)[C@H]2CCN(C)C2=O)C1 1108145557 MBHNQZMXRSKSOD-CZUORRHYSA-N 307.394 -0.305 30 20 DBED C[C@]1(CNC(=O)CC(=O)NCC2CC2)CN(CC#N)CCO1 1108333076 LZGPFXRUMCQHON-HNNXBMFYSA-N 308.382 -0.367 30 20 DBED CN1C(=O)CCC[C@@H]1C(=O)NC[C@]1(C)CN(CC#N)CCO1 1108373161 PJOHAZQKLBTTQW-IUODEOHRSA-N 308.382 -0.272 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)[C@@H](C)CC(N)=O)CC2=O)C1 1108559512 BWVKZEJPFREXNZ-QWRGUYRKSA-N 308.382 -0.915 30 20 DBED C[C@@H](CNc1cncc(C#N)n1)NC(=O)[C@@H]1CCS(=O)(=O)C1 1108604518 JEUWPOFKVMUMLO-VHSXEESVSA-N 323.378 -0.300 30 20 DBED C=CCNC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CNC(C)=O 1108872095 WOHBQOFGCDHUPD-GHYVTOPFSA-N 322.409 -0.465 30 20 DBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)COCC=C 1110390440 NHLLZVBPZPSAGZ-MCIONIFRSA-N 305.378 -0.340 30 20 DBED CC(=O)NCC(=O)N[C@]1(C)CCN(c2ccc(C#N)nn2)C1 1110718674 MMQRFASVFSDFPJ-CQSZACIVSA-N 302.338 -0.431 30 20 DBED N#Cc1ccc(NCCN(CCO)C(=O)c2cnco2)nn1 1111533622 IXRIIQAURPEZDC-UHFFFAOYSA-N 302.294 -0.117 30 20 DBED CNC(=O)NCC(=O)N1C[C@@H](C)OC2(CCN(CC#N)CC2)C1 1111545468 HJKYRNUDTCDDLL-GFCCVEGCSA-N 323.397 -0.479 30 20 DBED CN(C)CCC(=O)N1CCO[C@H](CN=c2cc[nH]cc2C#N)C1 1111962379 WFUIITNXKFJICE-CQSZACIVSA-N 317.393 -0.034 30 20 DBED C#CCCNC[C@]12CCC[C@H]1CN(C(=O)Cn1cnnn1)C2 1112247581 SYCIZSZXPMMASZ-ZFWWWQNUSA-N 302.382 -0.085 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)c2ccnc(F)c2)CC1 1112666793 UXLVXFZIFLAYLQ-UHFFFAOYSA-N 305.313 -0.382 30 20 DBED C[C@H](Nc1nccnc1C#N)[C@@H](C)NC(=O)c1nnn(C)n1 1113258297 CZGJKMYVAVXJKV-JGVFFNPUSA-N 301.314 -0.509 30 20 DBED Cc1ccc(C#N)c(N(C)[C@H](C)CNC(=O)CNC(N)=O)n1 1113506476 IQDDBSYDICJWAY-SNVBAGLBSA-N 304.354 -0.129 30 20 DBED Cc1nsc(N(C)[C@@H](C)CNC(=O)CNC(N)=O)c1C#N 1113509502 XEBIUJZACOXDMN-ZETCQYMHSA-N 310.383 -0.068 30 20 DBED C[C@H](CNC(=O)Cn1ncnn1)N(C)c1ccc(C#N)cn1 1113723641 RATIRSGMSZPYPP-SNVBAGLBSA-N 300.326 -0.419 30 20 DBED Cc1nsc(N(C)[C@H](C)CNC(=O)[C@@H]2CNC(=O)N2)c1C#N 1113869511 NYPWXNODGBEYRD-XCBNKYQSSA-N 322.394 -0.055 30 20 DBED C[C@@H](CNC(=O)[C@@]1(C)CCNC1=O)N(C)c1cncc(C#N)n1 1113872097 ICNDVIMHRBMSII-BONVTDFDSA-N 316.365 -0.185 30 20 DBED C#CCCCC(=O)NC1[C@H]2CN(CCOCCNC(C)=O)C[C@H]12 1114198298 ADBUOMMPBOFRRC-GJZGRUSLSA-N 321.421 -0.011 30 20 DBED CC#CCN1C[C@H]2[C@H](NC(=O)CCn3ncn(C)c3=O)[C@H]2C1 1114618695 JAHSTOHKTINPCB-IMRBUKKESA-N 303.366 -0.958 30 20 DBED C#Cc1ccc(C(=O)NC2[C@@H]3CN(CC(=O)NCC)C[C@@H]23)cn1 1115140284 UUNGRFYXSXSSBJ-ZIAGYGMSSA-N 312.373 -0.141 30 20 DBED CNC(=O)CC(=O)NCCOCCCNc1nccnc1C#N 1115409554 JNZQBTNKHJTCLG-UHFFFAOYSA-N 320.353 -0.581 30 20 DBED C=C(C)COCCNC(=O)C(=O)N1CC(=O)N[C@H]2CCCC[C@@H]21 1117605976 XONRDJLESPYOIT-STQMWFEESA-N 323.393 -0.035 30 20 DBED C#CCNC(=O)CNC1CC2(C1)CC(NC(=O)COCC)C2 1120563704 RTNXIHCCQVUXEQ-UHFFFAOYSA-N 307.394 -0.211 30 20 DBED N#Cc1nc(=N[C@@H](CO)CNC(=O)CCc2ccoc2)cc[nH]1 1121278508 LCZNAMQZDSFEQP-GFCCVEGCSA-N 315.333 -0.115 30 20 DBED Cn1ccc(CC(=O)NC[C@@H](CO)Nc2ccc(C#N)nc2)n1 1121480594 MATVLTIPMGWEPY-AWEZNQCLSA-N 314.349 -0.182 30 20 DBED Cc1nccc(C(=O)NC[C@H](CO)Nc2cnc(C#N)cn2)n1 1121659009 NUTSWZKVPYOAPW-LLVKDONJSA-N 313.321 -0.351 30 20 DBED C[C@@H](CC(N)=O)C(=O)NC[C@H](CO)Nc1ncccc1C#N 1122354130 GVYKIJVHCMUMGF-GXSJLCMTSA-N 305.338 -0.646 30 20 DBED CN(C)CCCC(=O)NC[C@@H](CO)Nc1cncc(C#N)n1 1122417344 VRMDICWVQRILRW-LBPRGKRZSA-N 306.370 -0.421 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](CO)Nc1nccnc1C#N 1122593460 NXCQZZSWJYNFQI-WZRBSPASSA-N 317.349 -0.172 30 20 DBED COCCN(CCNC(=O)C(N)=O)c1ncc(C#N)cc1F 1126508350 SAOSBCXDWYBSGX-UHFFFAOYSA-N 309.301 -0.853 30 20 DBED N#CCNC(=O)CNCCNC(=O)c1n[nH]cc1C(F)(F)F 1129181697 LZEGTXMSWOZXSP-UHFFFAOYSA-N 318.259 -0.612 30 20 DBED C#CCCN[C@@H]1CN(C(=O)[C@H](C)COC)C[C@@H]1n1ccnn1 1129680835 CELBAEAALKKQJN-MCIONIFRSA-N 305.382 -0.075 30 20 DBED C=CCCN[C@@H]1CN(C(=O)[C@H](C)CC(N)=O)C[C@@H]1n1ccnn1 1129956313 CURVKWUHHJWPGI-UPJWGTAASA-N 320.397 -0.293 30 20 DBED C#CCNC[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2CC2)n1 1130175126 DANWYPXSNDBHHW-RYUDHWBXSA-N 303.366 -0.074 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)c1ccnc2[nH]nnc12 1131168420 DFUGWELTYHEICF-VIFPVBQESA-N 317.353 -0.637 30 20 DBED C=CCCN1C[C@H]2C[C@H]3CN(C(=O)CNC(N)=O)C[C@@]3(C1)O2 1131177818 LPUQCDUGWGPDAA-YWPYICTPSA-N 308.382 -0.468 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1cnn2cccnc12 1132216068 XZHXNFHLPRXRFE-NSHDSACASA-N 314.349 -0.813 30 20 DBED C=C[C@H](C)[C@H](C)C(=O)NCCNCc1cc(=O)n(C)c(=O)n1C 1132577670 YPNVSTAIPNKYNF-RYUDHWBXSA-N 322.409 -0.252 30 20 DBED C[C@H](C[C@@H](C)NC(=O)Cc1ccon1)NCC(=O)NCC#N 1133990275 RKKWRQHAEDTSNS-GHMZBOCLSA-N 307.354 -0.270 30 20 DBED CC#CCN[C@@H](C)C[C@H](C)NC(=O)Cn1ccc(=O)n(C)c1=O 1134541572 TWBMGXIHVMBOGZ-STQMWFEESA-N 320.393 -0.557 30 20 DBED C[C@@H](C[C@@H](C)NCC(=O)NCC#N)NC(=O)c1n[nH]cc1F 1135408185 UBOMPZIIQGCCTF-BDAKNGLRSA-N 310.333 -0.325 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)[C@@]1(C)CCN(C(C)=O)C1 1146994015 HYGIWWVIHNJGEQ-LRDDRELGSA-N 324.425 -0.359 30 20 DBED CNC(=O)NC(=O)[C@@H](C)N1CCC2(CN(C(=O)[C@H](C)C#N)C2)C1 1147256238 QFHFKYVFNBWNBG-GHMZBOCLSA-N 321.381 -0.476 30 20 DBED COCC#CCN1CCC2(C1)CN(C(=O)[C@@H]1CN(C)CCO1)C2 1147297136 ILNAXKWDFXOMPN-HNNXBMFYSA-N 321.421 -0.499 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)[C@H]1CCCCO1)C2 1147334278 RXWUODAUYOQWIX-CQSZACIVSA-N 319.405 -0.161 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1cnn(C(C)C)c1 1147579676 KCZLAVWQMSGLEH-GFCCVEGCSA-N 305.382 -0.079 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H]1CN(CC(=O)N(C)C2CC2)CCCO1 1149400333 WKTFSWQFGWVSBZ-TZMCWYRMSA-N 322.409 -0.026 30 20 DBED C=CCOCCN1CCCO[C@H](CNC(=O)c2ncn(C)n2)C1 1149660943 VMEMSAGECCMGOW-CYBMUJFWSA-N 323.397 -0.162 30 20 DBED C#CCN1CCC(CCOC)(NC(=O)[C@@H]2CN(C)CCO2)CC1 1151047296 KIFKIJSLZCNACN-HNNXBMFYSA-N 323.437 -0.063 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)c1cncnc1C 1152089819 PMXLQJIUSJMWIG-GFCCVEGCSA-N 317.393 -0.025 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)c1csnn1 1154492658 MWUMPFOKWONEHI-SECBINFHSA-N 310.383 -0.382 30 20 DBED C=CCNC(=O)CN(C)C[C@H]1CCCCN1C(=O)CC(N)=O 1157747864 JKUHSJQAOROLLA-GFCCVEGCSA-N 310.398 -0.523 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1cnn(C)c1CC 1161746568 QPXUQMDUDICWCR-UHFFFAOYSA-N 305.382 -0.559 30 20 DBED CC1(C)CO[C@H](CC(=O)NCCCNCC(=O)NCC#N)C1 1162346738 FGDAHXOJLYORGL-GFCCVEGCSA-N 310.398 -0.073 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)Cc1ccc(O)nc1 1162731261 MLBCKSBBWZEHBU-LBPRGKRZSA-N 318.377 -0.437 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1cnn(C(C)C)c1 1170952287 ZXZMHBWKENKMDY-UHFFFAOYSA-N 305.382 -0.077 30 20 DBED C#CCOc1ncccc1C(=O)NCCCNCC(=O)NCC 1171549148 SQNKPFFHALTEPO-UHFFFAOYSA-N 318.377 -0.061 30 20 DBED C#CCNC(=O)CNCCCNC(=O)C[C@H]1CCCCC(=O)N1 1174667061 ULJLYHWXAVAJHO-CYBMUJFWSA-N 322.409 -0.719 30 20 DBED CC#CCN1CCO[C@H]2CCN(C(=O)CNC(=O)NC)C[C@@H]21 1177026217 WVUOVZRIKZQMLZ-STQMWFEESA-N 308.382 -0.760 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)COCCN(C)C)C[C@@H]21 1177139656 SVGFXZZGCMBMMD-GJZGRUSLSA-N 309.410 -0.501 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)[C@H](C)NC(=O)CC)[C@H]1C 1178758564 YWBLERRCPGLRFT-AVGNSLFASA-N 324.425 -0.218 30 20 DBED C#CCN[C@H]1CCN(C(=O)CN(C)S(=O)(=O)CC)[C@H]1C 1179829367 XNJUTVZXJAKCDE-RYUDHWBXSA-N 301.412 -0.520 30 20 DBED C#CCNC(=O)CN[C@H]1CCN(C(=O)[C@@H](C)CCOC)[C@H]1C 1180172954 GOUNNIKRSRAORA-IHRRRGAJSA-N 309.410 -0.013 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](NCc2nccs2)C1 1182134327 KTGMKNBFZCEYOQ-LLVKDONJSA-N 306.391 -0.027 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)N1CC[C@@H](NCC(=O)NC)C1 1186095932 FCPUMATZTQERMM-OLZOCXBDSA-N 310.398 -0.606 30 20 DBED Cc1ncc(C(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)c(C)n1 1186443864 CNNZBYRZVCWJPY-GFCCVEGCSA-N 316.365 -0.463 30 20 DBED CN(CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)C#CC(C)(C)C)C1 1190076031 INRQVFZDDYHQPZ-LLVKDONJSA-N 308.382 -0.237 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)c2cc(C)[nH]n2)C1 1191356452 QFXFAGAKHOJJNR-CYZMBNFOSA-N 321.381 -0.816 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H](CC)SC)C1 1192256611 GCVKSVHIFYYYFM-IJLUTSLNSA-N 313.423 -0.961 30 20 DBED COc1cc(CN2C[C@@H](O)[C@H](NC(=O)C#CC3CC3)C2)on1 1192822325 YPISEYSMYGMKPI-CHWSQXEVSA-N 305.334 -0.242 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@H]1CCN(C(=O)c2cnon2)C1 1192976216 AHUVOVUFQYUJNI-QWRGUYRKSA-N 305.338 -0.646 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)Cc2nonc2C)C1 1193171713 ZYDMUOIKJPBJQV-LBPRGKRZSA-N 321.381 -0.245 30 20 DBED CC#CCCCC(=O)N[C@@H]1CN(CC(=O)N(C)C2CC2)C[C@H]1O 1195422221 BNCGJZSCFXJRHP-HUUCEWRRSA-N 321.421 -0.038 30 20 DBED N#CCNC(=O)CN1CCCN(C(=O)[C@]2(F)CCOC2)CC1 1196909724 DTRUIEQTCPJBTM-AWEZNQCLSA-N 312.345 -0.711 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)N2CCCC2=O)C1 1199422388 LWROEQXPNDZZGG-FMKPAKJESA-N 321.421 -0.182 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN([C@H](C)C(=O)NC(N)=O)C[C@H]1C 1206939351 AUFYKJJNWZKIOH-IJLUTSLNSA-N 308.382 -0.334 30 20 DBED CS(=O)(=O)CCN[C@@H]1CCCN(C(=O)CSCC#N)C1 1207410934 XQIAAZVSYUNJGF-LLVKDONJSA-N 319.452 -0.132 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)c2nccnc2N)C1 1207704273 CBXROYUIUYGKDK-LLVKDONJSA-N 316.365 -0.998 30 20 DBED C=CCOCCN1C[C@@H](NC(=O)Cn2ncn(C)c2=O)[C@H](C)C1 1207771419 SVOGNOAKALMJEF-CHWSQXEVSA-N 323.397 -0.779 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@@H](N[C@H](C)C(=O)N(C)C)C1 1207872781 VJTDWSNXSAMOOK-CHWSQXEVSA-N 322.409 -0.817 30 20 DBED C#CCCN[C@H]1CCCN(C(=O)[C@H](C)NS(C)(=O)=O)C1 1209835439 BJFZSNDUZRCZIS-RYUDHWBXSA-N 301.412 -0.472 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(CCn2cncn2)C[C@H]1OC 1212033523 IPBHQMYLFDWYFN-CHWSQXEVSA-N 309.370 -0.704 30 20 DBED C#CCN1C[C@@H](NC(=O)CNC(=O)c2cccnc2)[C@H](OC)C1 1213474706 QJWDKOUVZPILME-ZIAGYGMSSA-N 316.361 -0.740 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)CCCC(=O)NC)C[C@H]1C 1214484091 ZAWYSMHTZVVTHJ-CHWSQXEVSA-N 324.425 -0.359 30 20 DBED C#CCN[C@@H]1CN(C(=O)CNC(=O)C2CCOCC2)C[C@H]1C 1215981603 HAEYMUXXBVPMJK-TZMCWYRMSA-N 307.394 -0.401 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(CC(=O)N[C@H](C)CC)C[C@@H]1O 1219361798 FYBIRBQGUAUVHK-UPJWGTAASA-N 313.398 -0.735 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)/C=C/C2CC2)C1 1219419935 IXYIFYSLGITKHK-KRLPOIQQSA-N 307.394 -0.195 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(Cc2ccsc2)C[C@@H]1O 1219492480 NEBFMYWWLUUIKJ-OLZOCXBDSA-N 321.402 -0.451 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)CNC(=O)c2ccsc2)C1 1221005763 UAYZTSWGNMAPLG-MNOVXSKESA-N 308.363 -0.837 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)[C@@H](C)C2CCOCC2)C1 1221197338 WETZNZZLDUATON-IMJJTQAJSA-N 324.421 -0.140 30 20 DBED N#CCNC(=O)CN1CCC(CNC(=O)CC2(O)CCC2)CC1 1223123685 ZBOHFGYHFWEQHZ-UHFFFAOYSA-N 322.409 -0.241 30 20 DBED C#CCNC(=O)CC(=O)NC1CCN(Cc2cnn(C)c2)CC1 1226962003 WFWGKVPSKVBMIU-UHFFFAOYSA-N 317.393 -0.360 30 20 DBED C=CCNC(=O)[C@H](C)N1CCC(NC(=O)c2ncn(C)n2)CC1 1227183279 PKGVHSUAEDYOLA-NSHDSACASA-N 320.397 -0.300 30 20 DBED N#CCN1CCS(=O)(=O)[C@@H](CCNC(=O)c2ccnnc2)C1 1230502630 JOVARVNWSUDBKC-LBPRGKRZSA-N 323.378 -0.781 30 20 DBED C=CCNC(=O)Cn1nnnc1N1C[C@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1 1262409788 KBVIYQRQDLCIRZ-WRWGMCAJSA-N 302.338 -0.635 30 20 DBED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NCC(=O)N1CCCC1 1324112564 NRLIUERTERMRRY-GXTWGEPZSA-N 323.393 -0.178 30 20 DBED C#CCOCCNC(=O)C(=O)NC[C@]1(N(C)C)CCSC1 1325593630 CVJABPKTPOWPFA-CQSZACIVSA-N 313.423 -0.694 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H]2CCN(CC)C2=O)C1=O 1327070793 PJUBWRNRMKIWBP-SECBINFHSA-N 323.305 -0.873 30 20 DBED CC(C)NS(=O)(=O)CCNC(=O)C(=O)NCCCCC#N 1328016847 YIDXUQGBFBKTHR-UHFFFAOYSA-N 318.399 -0.760 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N[C@H]2CCN(C)[C@@H](C)C2)nn1 1328080646 MBPWRYGOKYUJPN-RYUDHWBXSA-N 320.397 -0.321 30 20 DBED C=CCN(C(=O)C(=O)N1CCC(C(N)=O)CC1)[C@H](C)COC 1330462204 FVLIICOYMXDIPA-LLVKDONJSA-N 311.382 -0.240 30 20 DBED C=CCn1c(CCO)nnc1N1CCN(C(=O)NCC)CC1 1339095554 PNQIAMTWFRZUBM-UHFFFAOYSA-N 308.386 -0.150 30 20 DBED C#C[C@H](C)N(C)c1nnc(C2=NNC(=O)C2)n1C[C@@H]1CCOC1 1345284183 OAQVLJKZEOTFDC-QWRGUYRKSA-N 316.365 -0.004 30 20 DBED CNS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@H](N)CCCC#N 1345485476 XODHWOWXLXLGBP-WDEREUQCSA-N 302.400 -0.452 30 20 DBED C#CCN1CCN(c2nnc([C@H]3CC(=O)N(C)C3)n2C)CC1 1350516301 AQDPNDQTZDYPSD-LBPRGKRZSA-N 302.382 -0.484 30 20 DBED C#CCNC(=O)C1CCN(c2nnnn2CCOCC)CC1 1354318354 MDAFOLKDJBTKLV-UHFFFAOYSA-N 306.370 -0.325 30 20 DBED COC[C@@H](NC(=O)CCn1cc(C#N)c(O)nc1=O)C(C)C 1362165280 IXXXZRJCTKOHGB-LLVKDONJSA-N 308.338 -0.002 30 20 DBED N#Cc1c(F)cccc1C(=O)NC[C@]1(O)CCS(=O)(=O)C1 1362693550 ONVGPAMMOUUEDC-CYBMUJFWSA-N 312.322 -0.023 30 20 DBED N#Cc1cc(C(=O)N2C[C@H](C(N)=O)[C@@H](C(N)=O)C2)ccc1F 1362707122 OKQYVPIHYSEYRF-UWVGGRQHSA-N 304.281 -0.644 30 20 DBED CC(C)(O)CN(C(=O)CCn1cc(C#N)c(O)nc1=O)C1CC1 1362711058 QVNQBRIZVOIJDE-UHFFFAOYSA-N 320.349 -0.027 30 20 DBED N#Cc1cn(CC(=O)N2CCN3C[C@@H](F)C[C@H]3C2)c(=O)nc1O 1362915557 WDMBYQFLIJGSJK-QWRGUYRKSA-N 321.312 -0.925 30 20 DBED COC(C)(C)CNC(=O)NCCn1cc(C#N)c(O)nc1=O 1368469123 HCHXQQMGOKJLSD-UHFFFAOYSA-N 309.326 -0.455 30 20 DBED CCN(CCC#N)C(=O)CN1CC(NC(=O)[C@@H]2CCCN2C)C1 1373419604 ZYWBKTKIYKICID-AWEZNQCLSA-N 321.425 -0.357 30 20 DBED C[C@H](C#N)C(=O)N1CC(CNC(=O)CCCC(=O)N(C)C)C1 1374870706 ICSUSFVIWOITRJ-LLVKDONJSA-N 308.382 -0.021 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](C)CCNC(=O)CN1CCCNC1=O 1387519168 JLAFIVKIMQULMS-WDEREUQCSA-N 309.370 -0.428 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1)NC(=O)c1c[nH]c(C#N)c1 1392761509 OPMZASIZKURBSC-KWQFWETISA-N 303.322 -0.601 30 20 DBED C[C@H](C#N)C(=O)N(CCNC(=O)C[C@@H]1CCC(=O)N1)C1CC1 1398325093 IZEQOSCFAFDTQJ-MNOVXSKESA-N 306.366 -0.078 30 20 DBED Cn1nnnc1CN(CCNC(=O)c1cc(C#N)c[nH]1)C1CC1 1404225142 XSZBTCBZMXHLKI-UHFFFAOYSA-N 314.353 -0.196 30 20 DBED C[C@H](C#N)C(=O)NCC1CN(C(=O)c2cccc(C(N)=O)n2)C1 1409175514 CIAYRSMXUSJQIK-SECBINFHSA-N 315.333 -0.472 30 20 DBED C[C@@H](C#N)C(=O)N[C@H](C)CN(C)C(=O)c1ccn2nnnc2c1 1425164426 IZAIGWVIMSBLHO-VHSXEESVSA-N 315.337 -0.139 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCN(C)C(=O)Cn1ccc(O)nc1=O 1431387914 KNSNILBHWZTBKN-JTQLQIEISA-N 321.337 -0.975 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@](C)(NC(=O)CN2CCOCC2=O)C1 1432571303 GBTOZZFYAYHYRM-XHDPSFHLSA-N 322.365 -0.888 30 20 DBED C=C(Cl)CN1CCN(CCNC(=O)c2cnnn2C)CC1 1436703347 LEIQQBHRSUOASB-UHFFFAOYSA-N 312.805 -0.085 30 20 DBED C[C@H]1CN(C(=O)CN[C@H]2C[C@@H](CNC(=O)[C@@H](C)C#N)C2)CCO1 1440280084 XPXMKCGNJDUXRJ-XDQVBPFNSA-N 322.409 -0.122 30 20 DBED CCC[C@](C)(CO)NC(=O)CCn1cc(C#N)c(O)nc1=O 1466461249 YQZXIIXYQGKQBM-CQSZACIVSA-N 308.338 -0.122 30 20 DBED C[C@@H](C#N)C(=O)NC1CCN(C(=O)[C@H]2CCNC(=O)C2)CC1 1492080621 WNQIHGMUSOLVAS-QWRGUYRKSA-N 306.366 -0.221 30 20 DBED C[C@@H](C#N)C(=O)N(CCNC(=O)c1cc(=O)n(C)cn1)C1CC1 1497473813 FTONUIZIIQVHEH-JTQLQIEISA-N 317.349 -0.339 30 20 DBED CCn1cnnc1Cn1c(C)nnc1N1CCO[C@@H](C#N)C1 1515792998 UDSYSMPADPBJGQ-NSHDSACASA-N 302.342 -0.025 30 20 DBED CC[C@@H](CNC(=O)[C@H]1CCC(=O)N1)NC(=O)c1c[nH]c(C#N)c1 1531120140 VSRGOETWVADSSS-CMPLNLGQSA-N 317.349 -0.210 30 20 DBED C=CCN1CC[C@H](NC[C@@H]2CCN(C(=O)CNC(=O)O)C2)C1=O 1573367868 CWGRCYWFIDDKKQ-RYUDHWBXSA-N 324.381 -0.521 30 20 DBED C[C@H](CNC(=O)[C@@H](C)C#N)CNc1nccnc1-c1nn[nH]n1 1574838220 YAWFBAQRAMSBNQ-IUCAKERBSA-N 315.341 -0.019 30 20 DBED N#Cc1ncc(NCCN2CCSCC2)nc1-c1nn[nH]n1 1581884274 SBLIZDNINXBFHS-UHFFFAOYSA-N 317.382 -0.011 30 20 DBED C#CCN(C(=O)C(=O)NCC1(C(=O)O)CCOCC1)C(C)C 1588394975 AHMLTXOUABUSAI-UHFFFAOYSA-N 310.350 -0.146 30 20 DBED COC(=O)CN(CC(=O)O)S(=O)(=O)c1ccsc1C#N 1598862296 NCTGLXBRIWAUFS-UHFFFAOYSA-N 318.332 -0.132 30 20 DBED COC(=O)c1ncccc1S(=O)(=O)N(CC#N)CC(=O)O 1599016221 JJEMGJIDDFNJLB-UHFFFAOYSA-N 313.291 -0.533 30 20 DBED N#CC1(C[C@H](O)CN2CCC[C@H](O)[C@H]2C(=O)O)CCOCC1 1601054180 GXKWRMDBNJSOJU-AVGNSLFASA-N 312.366 -0.032 30 20 DBED C#CCN(CC(=O)O)C(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O 1602682306 MFSMORMYKVKLPE-AWEZNQCLSA-N 307.306 -0.747 30 20 DBED C[C@H](OC(=O)Cn1cc(C(=O)O)nn1)C(=O)NC1(C#N)CCC1 1609799434 OPFRAZOMAIMUMN-QMMMGPOBSA-N 321.293 -0.530 30 20 DBED C=CCNC(=O)[C@H](C)N1CCC[C@@H](NC(=O)c2nnn(C)n2)C1 1665008950 NHFQUXOQDFFUOX-WDEREUQCSA-N 321.385 -0.905 30 20 DBED C#CCNC(=O)CNCC[C@@H]1CCN(C(=O)C[C@H]2CCOC2)C1 1672859180 QUHTZOVXNOWOLH-HUUCEWRRSA-N 321.421 -0.009 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CCN(CC(=O)NC(N)=O)C2)cc1 1715004808 SWLVBRCLOLXQPP-CYBMUJFWSA-N 314.345 -0.333 30 20 DBED C=CCN1CCN(CCNC(=O)[C@H](C)[C@H]2CCC(=O)N2)CC1 1752372954 MAUNSNUFSMZEJV-ZIAGYGMSSA-N 308.426 -0.179 30 20 DBED C#CCNC(=O)CN[C@H](CNC(=O)[C@@H]1CCCCO1)C1CC1 1752454187 IODOAQGPTYADJV-KGLIPLIRSA-N 307.394 -0.211 30 20 DBED C#CCNC(=O)CNC[C@H]1CCN(C(=O)C(=O)C(C)(C)C)C1 1752931975 CTKYLRKINIBAPR-GFCCVEGCSA-N 307.394 -0.211 30 20 DBED N#CCNC(=O)CN1CC(NC(=O)[C@@H]2CC23CCOCC3)C1 1753394991 TUKFJNWAUBRPDS-LBPRGKRZSA-N 306.366 -0.757 30 20 DBED CC[C@H](CNC(=O)CN1CCCCC1=O)NCC(=O)NCC#N 1753476346 AEHIPRGUMJJKKK-GFCCVEGCSA-N 323.397 -0.877 30 20 DBED C=CCNC[C@@H](O)CNC(=O)[C@@H]1COCCN1CC(F)F 1753922078 NLVZIWKFDMZVFJ-MNOVXSKESA-N 307.341 -0.795 30 20 DBED COCC#CCNC[C@@H](NC(=O)CCNC(N)=O)C1CCCC1 1754656522 POJFSBLUEDXJHH-CQSZACIVSA-N 324.425 -0.041 30 20 DBED C#CCCN1CC(O)(CNC(=O)[C@H]2CCN(C(=O)CC)C2)C1 1754777254 LUVGECHGESXATQ-ZDUSSCGKSA-N 307.394 -0.569 30 20 DBED C=CCNC(=O)CNC1(CNC(=O)[C@H]2C[C@H]2C(=O)OC)CCC1 1754978631 MQGJMZCFKOIXQB-NWDGAFQWSA-N 323.393 -0.274 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)[C@@H](CC)NC(C)=O)CO2)C1 1755063662 NCUCDFNUDHYPGW-UONOGXRCSA-N 307.394 -0.116 30 20 DBED CCCN1CCC[C@@H]1C(=O)NC[C@@H](C)N(C)CC(=O)NCC#N 1755301392 KXCIEQXXBHZCPW-ZIAGYGMSSA-N 323.441 -0.063 30 20 DBED C=CCOCC(=O)N1CCO[C@H]([C@H](C)NC(=O)c2cc[nH]n2)C1 1756218271 RFSJAWRKJUELRK-AAEUAGOBSA-N 322.365 -0.042 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](CO)CNC(=O)c1coc(C)n1 1756514038 RGMNLPGNFWRCHF-LOWVWBTDSA-N 323.349 -0.219 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1C[C@H](C)N(C(=O)CCOC)C1 1756574018 FYGJSTNOJDIEIJ-RYUDHWBXSA-N 309.366 -0.732 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@H](O)CN(C)C(=O)c1ccon1 1756653944 OBYDXPRFXVQHSA-IINYFYTJSA-N 311.338 -0.449 30 20 DBED C=C1CCC(C(=O)N2CCCO[C@H](CNC(=O)C(N)=O)C2)CC1 1756843720 QPKMSJWUFWOBEL-CYBMUJFWSA-N 323.393 -0.048 30 20 DBED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CCCCN3C)C2)C1 1781033120 OQGSWEBBUGVKPE-PBHICJAKSA-N 319.405 -0.066 30 20 DBED C=CCC(=O)N1CCO[C@@]2(CCN(C(=O)Cn3nccn3)C2)C1 1781426492 HNFAVFOXBGLYLX-OAHLLOKOSA-N 319.365 -0.316 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)CCc1ncc[nH]1)CCO2 1783054004 QETMLQJJWLCMSK-MRXNPFEDSA-N 316.361 -0.195 30 20 DBED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(C)COC3)[C@H]2C1 1783671789 LVNWSWZQSPJFQJ-AVGNSLFASA-N 306.362 -0.364 30 20 DBED C=CCC[C@H](O)CN(C)CC(=O)N[C@H]1CCS(=O)(=O)C1 245995230 HHHZNGJTADZBKS-RYUDHWBXSA-N 304.412 -0.451 30 20 DBED CC(C)CO[C@H](C)/C(N)=N/OCc1cc(=O)n(C)c(=O)n1C 266236538 VYPREFWLYWGWJL-SNVBAGLBSA-N 312.370 -0.066 30 20 DBED C[C@H](CC#N)N(C)C(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 266374351 RZZGNEYNJPMMNU-NPNZPCOPSA-N 305.334 -0.091 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H]2C[C@H](C)O)C1=O 269865783 DRSALJUHONDXKL-WDEREUQCSA-N 323.349 -0.275 30 20 DBED C[C@H](O)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 270866081 RYEWAJCAKPODGO-NSHDSACASA-N 323.374 -0.228 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N1CCC[C@H](S(C)(=O)=O)C1 274183789 PFKMEYZNEFHMJO-MNOVXSKESA-N 317.411 -0.104 30 20 DBED C[C@@H]1C(=O)NCCN1CCS(=O)(=O)c1ccc(C#N)cn1 290332408 OYWOCBXWENHDBV-SNVBAGLBSA-N 308.363 -0.453 30 20 DBED CC(C)(C)C(=O)NCC/N=C(\N)NCCCN1CCOCC1 303971299 DHODDFYQFWPPHD-UHFFFAOYSA-N 313.446 -0.225 30 20 DBED CN1CCO[C@H](C/N=C(/O)N(C)CC(=O)N2CCOCC2)C1 329422960 FXIZNESOXDODCT-GFCCVEGCSA-N 314.386 -0.978 30 20 DBED COC/C(O)=N/C1CN(/C(O)=N/[C@@H]2CS(=O)(=O)C[C@@H]2C)C1 329736624 LOCMDSIEHXSJNV-WCBMZHEXSA-N 319.383 -0.379 30 20 DBED C=CCN1CC[C@H](N(C)S(=O)(=O)N(C)CCC#N)C1=O 330810893 JZZDBTGHDUPJJB-NSHDSACASA-N 300.384 -0.205 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@@]1(O)CCN(C)C1 336929501 AMJVAHPMCOCQNR-RYUDHWBXSA-N 304.416 -0.631 30 20 DBED CN(CCN(C)S(=O)(=O)N1CCO[C@H](C#N)C1)C1CC1 336930605 BAAXWIZPQDDTMY-GFCCVEGCSA-N 302.400 -0.518 30 20 DBED CC1CCN(C[C@@H](O)CNC(=O)[C@H](C)n2cnc(C#N)n2)CC1 336989884 KEUHIXOQQIYVFL-STQMWFEESA-N 320.397 -0.080 30 20 DBED CCOC1CC(O)(CNS(=O)(=O)N(C)C[C@H](C)C#N)C1 337188561 QITMTUOZKHRRPP-VOMCLLRMSA-N 305.400 -0.158 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)NCCN1C(=O)CCCC1=O 337987607 XLEYAXCKNMODKA-JTQLQIEISA-N 316.383 -0.406 30 20 DBED Cn1cc(C#N)c(=O)n(Cc2nnnn2-c2ccccc2)c1=O 345258072 LAUWGCGPJHYNJS-UHFFFAOYSA-N 309.289 -0.557 30 20 DBED C[C@@H]1C[C@H](N2CCOCC2)CN1S(=O)(=O)N(C)CCC#N 352595742 CNEPEYXAFQMSRR-OLZOCXBDSA-N 316.427 -0.128 30 20 DBED C=CCCS(=O)(=O)N1CC(n2cc(C(=O)OC)nn2)C1 355104908 XCELCPMFSMVGPT-UHFFFAOYSA-N 300.340 -0.173 30 20 DBED CNS(=O)(=O)[C@H]1CCCN([C@H](C)C(=O)N(C)CCC#N)C1 365276529 WVQXTWUVXUWCAF-NEPJUHHUSA-N 316.427 -0.239 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C)[C@H](OC)C2CC2)C1=O 456593535 NARNHOWCNXORJO-CABZTGNLSA-N 323.349 -0.107 30 20 DBED C#CCNC(=O)CN1CCN([C@H](C)c2nc(C)cc(O)n2)CC1 491755028 XMUJZNDKZXULIS-CYBMUJFWSA-N 317.393 -0.081 30 20 DBED C#CCNC(=O)CCNCc1ccc(S(N)(=O)=O)c(C)c1 491811348 CELCAKQJWHNSKO-UHFFFAOYSA-N 309.391 -0.128 30 20 DBED C[C@H]1OC(=O)N[C@@H]1C(=O)N(CCC#N)CCN1CCOCC1 496095508 ZTDWLTAAJFXWCB-NEPJUHHUSA-N 310.354 -0.442 30 20 DBED N#CCN1CCC[C@@H](CNC(=O)CCC(=O)N2CCOCC2)C1 531120645 NVYLKHITXWRZIN-AWEZNQCLSA-N 322.409 -0.023 30 20 DBED CC1(C(N)=O)CN(C(=O)C(=O)Nc2cnc(C#N)c(Cl)c2)C1 571044965 PLRRSMYFSCDEBG-UHFFFAOYSA-N 321.724 -0.121 30 20 DBED CN(C)C[C@@H](CO)NCCS(=O)(=O)c1ccc(C#N)cn1 579353705 GPBACKYTBCBIMQ-LBPRGKRZSA-N 312.395 -0.761 30 20 DBED C=C(C)CN(CC)C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 595989648 SNTXBXBMNCUORN-VXGBXAGGSA-N 308.382 -0.819 30 20 DBED N#CCCN1CCN(C(=O)NC[C@@H]2CCCS2(=O)=O)CC1 601593991 MSETXLPYUUNWEJ-LBPRGKRZSA-N 314.411 -0.196 30 20 DBED N#CCCN1CCN(C(=O)c2cn(C[C@H]3CCCN3)nn2)CC1 601851458 NDPGGINWSWUSEN-CYBMUJFWSA-N 317.397 -0.298 30 20 DBED CS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCN(CCC#N)CC1 602206389 MRHCNOLUFVERFY-GFCCVEGCSA-N 314.411 -0.532 30 20 DBED C[C@@H](COCC1CC1)NC(=O)C(=O)N1CCN(CCC#N)CC1 602282494 OZIUFMODHSOIHD-ZDUSSCGKSA-N 322.409 -0.024 30 20 DBED N#Cc1ncn(CC(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)n1 610883738 BMGNYAYFMPZZDF-RYUDHWBXSA-N 304.354 -0.793 30 20 DBED CC#CC[C@@H](CO)NS(=O)(=O)c1cnn(CC(=O)O)c1 717783027 HLYGCJLMOSKRAI-VIFPVBQESA-N 301.324 -0.980 30 20 DBED C#CCC[C@H](O)CNS(=O)(=O)c1cnn(CC(=O)O)c1 717918775 DQKLRCZFTDALIK-VIFPVBQESA-N 301.324 -0.980 30 20 DBED C#CCN1CCN(C(=O)CNC2(C(=O)NC)CCCC2)CC1 748818870 ZLCCTZGLTKTIBC-UHFFFAOYSA-N 306.410 -0.588 30 20 DBED C#CCOCCC(=O)N1CCC[C@H](CNS(N)(=O)=O)C1 755534992 GGRGCALZBVFGJD-LLVKDONJSA-N 303.384 -0.942 30 20 DBED C#CCNS(=O)(=O)N1CCN([C@H](C)c2nc(C)no2)CC1 761038936 ZUAGNMVPELCRQW-SNVBAGLBSA-N 313.383 -0.476 30 20 DBED COC[C@H](NS(=O)(=O)CC1(C#N)CCCCC1)C(N)=O 772867830 PGTISPMOKQCURY-JTQLQIEISA-N 303.384 -0.120 30 20 DBED CC#CCCOC(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1 786195837 BNGUGUUANYPZCA-UHFFFAOYSA-N 314.319 -0.387 30 20 DBED Cn1nnnc1SCCC(=O)N[C@@H]1CCCN(O)C1=O 816758410 OXIYNUKKOVXPQV-SSDOTTSWSA-N 300.344 -0.811 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)NCCc1cnccn1 827266533 SNFVEJMKKMXANQ-UHFFFAOYSA-N 304.350 -0.366 30 20 DBED CCS(=O)(=O)N[C@H](C)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 827384403 RSFGYRDPBRNLKZ-PWSUYJOCSA-N 314.411 -0.487 30 20 DBED C=C(C)CONC(=O)N1CCN(C(=O)C(=O)NC(C)C)CC1 845589804 IYRKVZIYGBTPSV-UHFFFAOYSA-N 312.370 -0.128 30 20 DBED C=CCN(C(=O)CN(C)C(=O)C=C)[C@@H]1CCS(=O)(=O)C1 858680099 SSDGKHJLAAMHCT-LLVKDONJSA-N 300.380 -0.168 30 20 DBED C#CC[C@@H](NS(=O)(=O)c1cc(C(=O)OC)no1)C(=O)OC 859187909 WVKJPNPJLFXZNT-SSDOTTSWSA-N 316.291 -0.696 30 20 DBED C#CC[C@H](CCOC)NC(=O)c1ccnc(S(N)(=O)=O)c1 863783605 RXQXDSDPBNJPGQ-LLVKDONJSA-N 311.363 -0.113 30 20 DBED C#CC[C@@H](CCOC)NC(=O)C(=O)NCC1([S@@](C)=O)CC1 875382331 ASFBVWZHLKRMBY-WIUDPPPLSA-N 314.407 -0.442 30 20 DBED C#CC1(O)CN(C(=O)Cn2c(S)nc3ccccc3c2=O)C1 890520521 JYWDIXDJSQRNGR-UHFFFAOYSA-N 315.354 -0.108 30 20 DBED C#CC1(O)CN(C(=O)CCCCCC(=O)N2CC(O)(C#C)C2)C1 890523498 QZPPXCFSVUSYRJ-UHFFFAOYSA-N 318.373 -0.650 30 20 DBED N#C[C@@H]1CN(C(=O)C2CC(=O)C2)CCN1C(=O)C1CC(=O)C1 912535236 KLWSVYAODAEEPB-LLVKDONJSA-N 303.318 -0.492 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)c3cnn[nH]3)C2)nc1 941446579 YIWRLTWOMBCEOI-LLVKDONJSA-N 310.317 -0.175 30 20 DBED C#CCN1CC[C@H](NC(=O)CN2CCC(=O)NC2=O)[C@H](C)C1 944013698 BHNDFYCETRYSMM-NEPJUHHUSA-N 306.366 -0.612 30 20 DBED N#Cc1ccc(C(=O)N2C[C@H]3C[C@H]2[C@@H]3NC(=O)c2cnon2)[nH]1 947823206 VQCHOHWRHWXJOY-VSYUYLJXSA-N 312.289 -0.088 30 20 DBED C#CCN1CCOC2(CCN(C(=O)Cc3n[nH]c(C)n3)CC2)C1 949362180 BVDGPPNSAGEMLO-UHFFFAOYSA-N 317.393 -0.018 30 20 DBED C#CCN1CC(N(CC)C(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 951083738 RDOCFQGXUFNRNP-UHFFFAOYSA-N 314.353 -0.527 30 20 DBED C[C@@H](C#N)C(=O)N1CC(N(C)C(=O)c2ccc(C(N)=O)nc2)C1 954669568 YGJLIYMSFXRMDQ-VIFPVBQESA-N 315.333 -0.377 30 20 DBED C#Cc1ccc(C(=O)N(C)C2CN(C(=O)Cc3nc[nH]n3)C2)nc1 954916166 FAERDXILGOKIDM-UHFFFAOYSA-N 324.344 -0.294 30 20 DBED C[C@H](C#N)C(=O)N1CC(N(C)C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 954996602 CFNXPAZGSWOXSK-UVLXDEKHSA-N 321.377 -0.133 30 20 DBED C=CCCn1cc(C(=O)N[C@]2(C)CCN(C(=O)C(N)=O)C2)nn1 957001432 FNIVPSYFBBTXSS-CQSZACIVSA-N 320.353 -0.940 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2ccnn2CC(F)F)C1 958069681 OYNFVRXOZLSNJE-ZYHUDNBSSA-N 312.320 -0.196 30 20 DBED C#CCN1C[C@H](CNC(=O)c2cncc(COC)c2)[C@@H](O)C1 958155560 DCNUKTDMGSLXFE-GJZGRUSLSA-N 303.362 -0.116 30 20 DBED C#CCCN1C[C@@H](O)[C@@H](CNC(=O)c2cn3cccnc3n2)C1 958215512 WWXIZGQYAYAWDD-GXTWGEPZSA-N 313.361 -0.225 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2CN(CC3CC3)C[C@H]2O)nn1 958472320 SYHHJWRHFJUNDG-GXTWGEPZSA-N 305.382 -0.103 30 20 DBED CC[C@@H](OC)C(=O)N1C[C@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 962140303 VVUKCKHUICISKA-FRRDWIJNSA-N 320.349 -0.387 30 20 DBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@H](NC(=O)C2CN(C(C)=O)C2)C1 962517906 NCZRZMZCQLLSST-OLZOCXBDSA-N 323.393 -0.635 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CN(C(=O)C3CCC3)C[C@@H]2O)nn1 963309582 FNEGGWWIRWGQCO-YPMHNXCESA-N 319.365 -0.434 30 20 DBED C=CCn1cc(C(=O)N2CCOC[C@H]2CNC(=O)C2CC2)nn1 964055685 UVVQIAKLIRUMQV-GFCCVEGCSA-N 319.365 -0.169 30 20 DBED C[C@H](C#N)C(=O)N1CCOC2(CN(C(=O)c3cnco3)C2)C1 965478960 WYVBIWJBNUYZRW-SNVBAGLBSA-N 304.306 -0.112 30 20 DBED C[C@]1(CC(=O)N2CC[C@@H](NCC#N)C2)CCS(=O)(=O)N1 970565782 NTCBEWOJCQLQOY-ZYHUDNBSSA-N 300.384 -0.828 30 20 DBED O=C1N[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)C#CC4CC4)[C@@H]3C2)CO1 972083824 KLBVXSLUHGPMOI-JHJVBQTASA-N 317.345 -0.433 30 20 DBED O=C1NCC[C@@H]1N1CCO[C@]2(CCN(C(=O)C#CC3CC3)C2)C1 972379489 YQYRPLXMRDHYSA-WMLDXEAASA-N 317.389 -0.408 30 20 DBED COc1cnc(C(=O)N2CC[C@]3(CN(CC#N)CCO3)C2)nc1 972460304 DJPXICNPDQFZSW-HNNXBMFYSA-N 317.349 -0.074 30 20 DBED C=CCN(C)[C@@H]1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)C1 972470924 BNEZAXSYVWBZSX-LLVKDONJSA-N 306.366 -0.584 30 20 DBED C=C(C)CCN1CCO[C@]2(CCN(C(=O)[C@@H]3CNC(=O)N3)C2)C1 972527033 PPPPMAQYFLSYGK-XJKSGUPXSA-N 322.409 -0.063 30 20 DBED Cc1[nH]nc(C(=O)N[C@H]2[C@@H]3CN(C(=O)[C@H](C)C#N)C[C@@H]32)c1O 976368387 ZAKRJVBIRDKHMR-PRQTWWFRSA-N 303.322 -0.230 30 20 DBED C#CCN1C[C@@H](NC(=O)[C@H]2CCN(C)S2(=O)=O)C(C)(C)C1 977315745 KFFGTAHJNAJTMD-VXGBXAGGSA-N 313.423 -0.520 30 20 DBED C#CCN1C[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)C(C)(C)C1 977459231 FQRJLRHMHXQAJS-LLVKDONJSA-N 314.349 -0.509 30 20 DBED N#CCN1C[C@H]2[C@H](CNC(=O)[C@@H]3CCc4nnnn4CC3)[C@H]2C1 978743299 QMRJILOUQDSKGG-LPWJVIDDSA-N 315.381 -0.557 30 20 DBED N#Cc1cc(C(=O)NC[C@@H]2CCN(C(=O)c3nc[nH]n3)C2)c[nH]1 983116477 XCGGFIZGBAQSCB-VIFPVBQESA-N 313.321 -0.103 30 20 DBED C#CCN[C@H]1C[C@@H](C)N(C(=O)Cc2ccc(C(N)=O)nc2)C1 989037413 XPCHOOGWLRFSET-YPMHNXCESA-N 300.362 -0.065 30 20 DBED C#Cc1ccccc1CC(=O)N[C@H]1CCN(C(=O)C(N)=O)[C@@H]1C 989196507 ZMAOAWRVCKKICO-RISCZKNCSA-N 313.357 -0.199 30 20 DBED C=CCn1cc(C(=O)N2CC(NC(=O)c3cn(C)cn3)C2)nn1 990832348 NSFSURNYJACQFS-UHFFFAOYSA-N 315.337 -0.548 30 20 DBED COC(=O)[C@@H]1C[C@@H]1C(=O)N1CC(NC(=O)c2c[nH]c(C#N)c2)C1 990921607 XCDQAAUINYRINL-NWDGAFQWSA-N 316.317 -0.364 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CCN(C(=O)CCC)C[C@H]2O)nn1 991483883 FPEASLXOGQOLDE-WCQYABFASA-N 321.381 -0.044 30 20 DBED C=CCn1cc(C(=O)NC2CN(C(=O)c3cncn3C)C2)nn1 991674972 CGQPKMJCPPLJKX-UHFFFAOYSA-N 315.337 -0.548 30 20 DBED O=C(Cc1cnc[nH]1)N[C@@H]1CCN(C(=O)C#CC2CC2)C[C@H]1O 991801802 CMCFWCSNWDERHF-ZIAGYGMSSA-N 316.361 -0.556 30 20 DBED C[C@@H](C#N)C(=O)N1CC(NC(=O)[C@H]2CCc3nccn3C2)C1 994592636 KKSLQSJHXIVRAZ-QWRGUYRKSA-N 301.350 -0.068 30 20 DBED CC(=O)N1CC[C@H](C(=O)NC2CN(C(=O)C#CC3CC3)C2)C1 997663685 ICOBLQGLYVZSAP-ZDUSSCGKSA-N 303.362 -0.405 30 20 DBED C#CCCN1CCC(NC(=O)CN2CCC(=O)NC2=O)CC1 1003913983 BCWAMRQCLJORAM-UHFFFAOYSA-N 306.366 -0.468 30 20 DBED C=CCN1CCC[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 1008739170 UDICBULZNFUTOJ-NSHDSACASA-N 306.366 -0.536 30 20 DBED C=CCN1CCC[C@H](NC(=O)[C@@H]2CCN(C)S2(=O)=O)C1 1008841136 PRTIDQBPKJGRFG-RYUDHWBXSA-N 301.412 -0.213 30 20 DBED C=CCN1CCC[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)C1 1009203976 OMCQFHAIVDHJSI-JTQLQIEISA-N 302.338 -0.202 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2C(NC(=O)CN3CCCCC3=O)[C@H]2C1 1013382319 CKNHFZFJEOAHFR-WOPDTQHZSA-N 318.377 -0.268 30 20 DBED C[C@@H]1CCN(C(=O)C(N)=O)C[C@@H]1CNC(=O)c1ccc(C#N)[nH]1 1018616139 CBKGVEQFOCBHEX-ZJUUUORDSA-N 317.349 -0.414 30 20 DBED C[C@H](C#N)C(=O)N1CCC2(CN(C(=O)CS(C)(=O)=O)C2)C1 1018848691 SBNODEADZORSMB-SNVBAGLBSA-N 313.379 -0.748 30 20 DBED C[C@H](C#N)C(=O)N1CCC2(CN(C(=O)[C@@H]3CN(C)CCO3)C2)C1 1018897986 USYUHTHPLHCSMP-OLZOCXBDSA-N 320.393 -0.462 30 20 DBED N#Cc1ccc(CN[C@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)C2)cc1 1019309036 NXLCEIBVKDDNHU-KBPBESRZSA-N 313.361 -0.070 30 20 DBED N#CCN1CC[C@H]2[C@H](CCCN2C(=O)CN2CCOCC2=O)C1 1021605874 OAUYKRHIWQYPRQ-KGLIPLIRSA-N 320.393 -0.318 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]2CN(C(=O)c3cnn(C)n3)C[C@H]21 1022564985 QKSCSROOYXABLI-JBLDHEPKSA-N 302.338 -0.352 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn(C)nn2)C1 1023587340 GYEBYUPVVGMFSD-MWLCHTKSSA-N 307.354 -0.671 30 20 DBED C[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1O 1025014619 ZMQFKVOGWHSPNP-PIEOMLNGSA-N 302.334 -0.156 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCCN1CC(=O)N(C)C 1027942270 BFKAQGIPIKWIMA-CABCVRRESA-N 320.437 -0.247 30 20 DBED N#CCN1[C@H]2CC[C@H]1CN(C(=O)C1CC3(C1)NC(=O)NC3=O)C2 1029512167 OWNFJLMLUFMTQJ-SSOKKCIESA-N 317.349 -0.827 30 20 DBED C=CCCN1CC[C@H](N(C)C(=O)[C@@H]2CCS(=O)(=O)N2)C1 1033676831 ZJOCDNWRSXTZKT-RYUDHWBXSA-N 301.412 -0.213 30 20 DBED C=C(C)CN1CCO[C@@H](CNC(=O)C2CC(=O)NC(=O)C2)C1 1035543115 VHOIXQJYXWCBRZ-LBPRGKRZSA-N 309.366 -0.568 30 20 DBED C=CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)Cn1ncn2nccc2c1=O 1037605282 IIEZYZWBEGOAEH-SCDSUCTJSA-N 314.349 -0.734 30 20 DBED C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CN1C(=O)CCC1=O 1039467825 FPWXSTWQWAOLQN-OLZOCXBDSA-N 303.362 -0.166 30 20 DBED CC(C)C#CC(=O)NC[C@@]1(O)CCN(C(=O)[C@H]2CCCN2C)C1 1039663361 DKAGNKPDPRWANW-PBHICJAKSA-N 321.421 -0.180 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)c2cncnc2O)C1 1040163585 HNXMJPOZXCKAQQ-XPTSAGLGSA-N 319.321 -0.965 30 20 DBED Cc1nonc1C(=O)NC[C@]1(O)CCN(C(=O)[C@H](C)C#N)C1 1040221269 RUUGIKDNIPAYHA-AMIZOPFISA-N 307.310 -0.769 30 20 DBED N#Cc1cncc(N2C[C@@H](O)[C@H](NC(=O)[C@]3(F)CCOC3)C2)n1 1041304042 GSJQOGPBNVSLJM-GYSYKLTISA-N 321.312 -0.857 30 20 DBED Cc1conc1C(=O)N1CC(O)(CNC(=O)CSCC#N)C1 1041569910 IKIACWTXQICCMF-UHFFFAOYSA-N 324.362 -0.457 30 20 DBED C=CCN1CC[C@]2(CCN(C(=O)CN3C(=O)CNC3=O)C2)C1 1041819213 CEFFCKZNUOFACZ-HNNXBMFYSA-N 306.366 -0.351 30 20 DBED CC#CCN1CC[C@@H]2CCN(C(=O)Cn3cnnc3O)C[C@@H]21 1042020630 LAOZFCCXYXKFCP-OLZOCXBDSA-N 303.366 -0.070 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)[C@H](OC)C2CC2)C1 1042802084 CTCGZQUYUGFFNN-CQSZACIVSA-N 308.378 -0.096 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)C[C@](C)(O)C=C)C1 1042807251 QQBVBQOYYROONR-OAHLLOKOSA-N 308.378 -0.194 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)C2(CN(C)C)CC2)C1 1042937437 HEORSJFWERFRKP-UHFFFAOYSA-N 321.421 -0.323 30 20 DBED C=C(C)CCC(=O)N1CC(O)(CNC(=O)CCCC(N)=O)C1 1043707228 HJLORUFPWOJJPR-UHFFFAOYSA-N 311.382 -0.312 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CN(CC(=O)N2CCC2)C1 1043896946 UVQUENDXYVHSTE-KGLIPLIRSA-N 307.394 -0.048 30 20 DBED C#CCCCC(=O)N1CC(O)(CNC(=O)c2coc(OC)n2)C1 1044076991 SUGQDIZHTBXFLP-UHFFFAOYSA-N 321.333 -0.210 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC(O)(CNC(=O)c3cnco3)C2)c1 1044118861 OIMZPJLIBIBUGT-UHFFFAOYSA-N 315.289 -0.509 30 20 DBED C=C(C)C[C@H](C)C(=O)N1CC(O)(CNC(=O)[C@@H]2CCNC2=O)C1 1044455624 HAKKMUPYQGOHGG-NWDGAFQWSA-N 323.393 -0.586 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)c2nccs2)C1 1045243349 HAFYKFHVRGGCHX-UHFFFAOYSA-N 323.374 -0.514 30 20 DBED C#CCN1CC[C@H](N2CCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)CC2)C1 1046053922 HOISALXROBOMMM-CAOSSQGBSA-N 303.406 -0.270 30 20 DBED C=C(C)CN1C[C@H](O)[C@@H](N(C)C(=O)Cc2cn(CC)nn2)C1 1047466269 MOUFSFXYJXCYTL-KBPBESRZSA-N 307.398 -0.080 30 20 DBED C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC(=O)N2C(C)C)C1 1047502146 XUXQKXSGQPFWMY-KKUMJFAQSA-N 321.421 -0.087 30 20 DBED NC(=O)CC(=O)N1C[C@H]2C[C@@H](NC(=O)C#CC3CC3)C[C@H]1C2 1047522781 MAZWWSMQHOCOHH-YNEHKIRRSA-N 303.362 -0.229 30 20 DBED C=CCOCC(=O)N(C)[C@H]1CN(C(=O)c2ncccn2)C[C@@H]1O 1048558818 XOJZIBGBOJODNS-RYUDHWBXSA-N 320.349 -0.677 30 20 DBED CN(C(=O)C#CC1CC1)[C@H]1CN(C(=O)[C@H]2CCOC2)C[C@@H]1O 1048821373 LZTGAOPMNPCMQW-IHRRRGAJSA-N 306.362 -0.534 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)[C@H]1CN(C(=O)c2ccc[nH]2)C[C@@H]1O 1048844561 MWYHTDPUJRKAIE-UBHSHLNASA-N 319.361 -0.303 30 20 DBED CCCC(=O)NCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)C#N)C1 1049389111 UAIMWVPMCJADAD-WOPDTQHZSA-N 324.381 -0.908 30 20 DBED CN1C(=O)CN(CC(=O)N2CCC[C@H]3[C@@H]2CCN3CC#N)C1=O 1049839093 HACWJAYAYDXRME-RYUDHWBXSA-N 319.365 -0.531 30 20 DBED C=CCOCC(=O)N1CC[C@H]([C@@H](C)NC(=O)c2ncn(C)n2)C1 1050298743 XVEYGIKSXNVKNG-NEPJUHHUSA-N 321.381 -0.016 30 20 DBED C=CCN1CC[C@H](NC[C@@H]2CN(C(=O)COC)CCO2)C1=O 1051376231 NYFUSNSRUVKCFW-OLZOCXBDSA-N 311.382 -0.763 30 20 DBED CCn1ncnc1CNC[C@@H]1CN(C(=O)[C@H](C)C#N)CCO1 1051494366 IBJYPFOSRWXCOY-VXGBXAGGSA-N 306.370 -0.225 30 20 DBED CC#CCN1CCN([C@H]2CCN(C(=O)[C@H]3COC(=O)N3)C2)CC1 1052018263 GGOKNGCMGAHIIY-UONOGXRCSA-N 320.393 -0.663 30 20 DBED C[C@@H]1OCCO[C@@H]1C(=O)N1CC[C@H](N2CCN(CC#N)CC2)C1 1052037135 DQMYLRRSJRTGEH-KKUMJFAQSA-N 322.409 -0.468 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)Cc3ccnn3C)CO2)C1 1053787849 FBZKKRBSISNCBV-ZDUSSCGKSA-N 302.378 -0.055 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CCOC3)C[C@@H]2C1 1055217346 DOPBLIHCJNAFLK-LJISPDSOSA-N 320.389 -0.022 30 20 DBED N#Cc1ccc(N2C[C@H]3[C@H](NC(=O)c4cc[n+]([O-])cc4)[C@H]3C2)nn1 1056100275 MQOJKQIRMOUKAZ-NHAGDIPZSA-N 322.328 -0.154 30 20 DBED CN1C[C@@H](C(=O)N2CC[C@@H](Nc3ccc(C#N)nn3)C2)CC1=O 1056805118 IJOUQTAOZOHPIA-CMPLNLGQSA-N 314.349 -0.161 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)c1cc(C)nn1C 1057194048 XSTQMASTLRCILV-UHFFFAOYSA-N 324.381 -0.518 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)[C@H]1COCCN1C 1057382923 ITFVEYPFEAJWOC-CYBMUJFWSA-N 313.398 -0.780 30 20 DBED C=C[C@](C)(O)CC(=O)N(CCO)CCNC(=O)CCOC 1057449726 HODWFUQRBBOVQH-AWEZNQCLSA-N 302.371 -0.713 30 20 DBED C=C[C@](C)(O)CC(=O)N(CCO)CCNC(=O)C(C)(F)F 1057449947 KRDAIZGGJLMXPZ-LBPRGKRZSA-N 308.325 -0.094 30 20 DBED O=C(C#CC1CC1)NCCN(CCO)C(=O)[C@@H]1CC1(F)F 1057503234 GCOAFABQJBNLOX-NSHDSACASA-N 300.305 -0.008 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H]1CCCN(C(=O)[C@H]2CNC(=O)N2)C1 1057747931 CQDZYAWYIWRMOB-DGCLKSJQSA-N 314.349 -0.541 30 20 DBED N#Cc1nccnc1N1CC[C@H](NC(=O)CN2CCOCC2)C1 1058324245 BRFUYGBRXSLMMA-LBPRGKRZSA-N 316.365 -0.625 30 20 DBED C#CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)[C@@H](F)C(C)C 1058431463 XHTFOLHEHYAVGB-STQMWFEESA-N 316.373 -0.044 30 20 DBED CN1CC[C@@H](C(=O)N[C@H]2CCN(c3ccnc(C#N)n3)C2)C1=O 1058514888 QURMJFRVSMCLTF-QWRGUYRKSA-N 314.349 -0.479 30 20 DBED CCc1cc(C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N)no1 1058655104 QLRTWHMKLMVSLL-JTQLQIEISA-N 308.338 -0.053 30 20 DBED CCn1cc(C(=O)NCCN(CCO)C(=O)[C@H](C)C#N)c(C)n1 1058658550 GAIKKTLYBNKCSA-LLVKDONJSA-N 321.381 -0.078 30 20 DBED N#Cc1nccnc1N[C@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 1058883825 WJMHWSVWBRFALD-WPRPVWTQSA-N 302.294 -0.531 30 20 DBED N#Cc1ccc(N[C@H]2C[C@H](NC(=O)[C@@H]3CNC(=O)N3)C2)cn1 1059391595 FLHPCOOXGYTLMY-SRVKXCTJSA-N 300.322 -0.306 30 20 DBED Cc1cc(C#N)nc(N2[C@H]3CC[C@H]2CC(NC(=O)C(N)=O)C3)n1 1059510216 KGQWIKJPONEHQL-RYUDHWBXSA-N 314.349 -0.242 30 20 DBED N#Cc1ccc(N[C@@H]2CC[C@@H]3CN(C(=O)CC(N)=O)C[C@H]32)nn1 1060522521 ADAAYIFHRAIZRU-YUSALJHKSA-N 314.349 -0.127 30 20 DBED C=CCOCC(=O)NC[C@H]1COCCN1C(=O)c1nonc1C 1061419204 IIIDXDYAQFYXIN-NSHDSACASA-N 324.337 -0.462 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CN(C(=O)Cn2ccnc2)CCO1 1065305225 KSIHDCZRNMNAOF-NEPJUHHUSA-N 305.338 -0.614 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)Cn2cccn2)C1 1065557155 NTMYWHAPDUDDKB-RYUDHWBXSA-N 305.338 -0.614 30 20 DBED CC(C)C#CC(=O)N[C@H]1CCCN(C(=O)Cn2cnnn2)CC1 1066143275 ZPKXBRWGMSWHFC-ZDUSSCGKSA-N 318.381 -0.170 30 20 DBED CC(C)[C@@H](O)C(=O)N1CCO[C@@H](CN=c2cc[nH]c(C#N)n2)C1 1066625513 QEKKFUYVYPNCAS-SMDDNHRTSA-N 319.365 -0.574 30 20 DBED Cc1cc(C#N)nc(N2C[C@H]3C(CNC(=O)c4nc[nH]n4)[C@@H]3C2)n1 1068180662 NPLBYUDUBYMJJR-RYUDHWBXSA-N 324.348 -0.113 30 20 DBED N#Cc1cncc(N2C[C@@H]3C(CNC(=O)c4nc[nH]n4)[C@H]3C2)n1 1068181063 VYHUMJADJLHHJH-GHMZBOCLSA-N 310.321 -0.421 30 20 DBED C#CCNC(=O)CC(=O)N1CCOC2(C1)CN(C(=O)CCC)C2 1068383047 AXOKKYVCPOZCPS-UHFFFAOYSA-N 321.377 -0.634 30 20 DBED C#CCCCC(=O)N1CCOC2(C1)CN(C(=O)c1cnon1)C2 1068388420 CLLOTBNJLBWDKF-UHFFFAOYSA-N 318.333 -0.074 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1COC2(C1)CN(C(=O)C(C)(C)C(N)=O)C2 1069009429 ZRWOTNYFZKVSOR-UWVGGRQHSA-N 322.365 -0.856 30 20 DBED N#Cc1ccc(N[C@@H]2CCC[C@@H]3CN(C(=O)C(N)=O)C[C@H]32)nn1 1069319527 WFASCHIITZUFTH-YUSALJHKSA-N 314.349 -0.127 30 20 DBED CCC1(NC(=O)c2cc(C#N)c[nH]2)CCN(C(=O)C(N)=O)CC1 1069578392 QJZGMXRKAYMZPQ-UHFFFAOYSA-N 317.349 -0.127 30 20 DBED Cc1cc(C(=O)N[C@@H]2CN(CC#N)C[C@@H]2n2ccnn2)n(C)n1 1069901006 JAGLFZVUCWEECO-YPMHNXCESA-N 314.353 -0.501 30 20 DBED C=CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H]2CCC(=O)N2)C1 1069903126 GLJDWNIWZZEXCF-UPJWGTAASA-N 318.381 -0.526 30 20 DBED Cc1ncn(C)c1C(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1 1069951537 VJUQBNCXRHWLRF-NEPJUHHUSA-N 314.353 -0.501 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)CN(C)C(C)=O)C[C@@H]1C 1071658081 JQRIDFUAQNAVDL-WCQYABFASA-N 311.382 -0.370 30 20 DBED C=CCN1C[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)CC[C@@H]1C 1071860311 HIXBFFLBOAEHCM-NWDGAFQWSA-N 320.393 -0.147 30 20 DBED C#CCOCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)Cc2ncc[nH]2)C1 1072102375 UWXWCMZWVGALKL-OLZOCXBDSA-N 318.377 -0.045 30 20 DBED C#CCN1CCC2(C1)CN(C(=O)Cn1nnnc1C(C)C)C2 1073043703 BSSNEMXACDCHCH-UHFFFAOYSA-N 302.382 -0.036 30 20 DBED C[C@H](C#N)C(=O)NC1(C)CCN(C(=O)[C@@H]2CCC(=O)N2)CC1 1073174651 PFUHVNHBJPJGRQ-MNOVXSKESA-N 306.366 -0.078 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@H](NC(=O)CCNC(N)=O)C(C)(C)C1 1073392645 VPQHGCPIQQTWMF-WDEREUQCSA-N 323.397 -0.052 30 20 DBED C=CCCC(=O)N1CCN(C2CN(C(=O)c3cnn[nH]3)C2)CC1 1073549595 PEYGZUURMCDDAQ-UHFFFAOYSA-N 318.381 -0.261 30 20 DBED CC#CCN1CCCO[C@@H](CNC(=O)[C@@H]2COCCN2C)C1 1073578753 VKHZJZMTMQLZOT-GJZGRUSLSA-N 309.410 -0.453 30 20 DBED N#CCN1CCCO[C@@H](CNC(=O)[C@@H]2CCNC(=O)CC2)C1 1073713565 FACIKNNJMUVZGN-STQMWFEESA-N 308.382 -0.367 30 20 DBED Cn1cncc1CN1C[C@@H](O)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 1076897294 MFXWPYJVBDIYEY-ZIAGYGMSSA-N 314.349 -0.405 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)Cc2nnn(C(C)(C)C)n2)C1 1077049960 RLYOBLBWKGKHQT-VXGBXAGGSA-N 320.397 -0.845 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)c2ccnc3nc(C)nn23)C1 1077995892 WUJHKDNEIMLASF-DGCLKSJQSA-N 314.349 -0.769 30 20 DBED N#CCN1CCC2(CC1)CN(C(=O)c1nc[nH]n1)[C@@H]1COC[C@@H]12 1079265295 BUAXLFCRXPTVMK-NWDGAFQWSA-N 316.365 -0.119 30 20 DBED C#CCC1(C(=O)N2CC(N(CC)C(=O)CNC(N)=O)C2)CCC1 1079283216 IUCNZGAUOCUATA-UHFFFAOYSA-N 320.393 -0.092 30 20 DBED C=CCOCC(=O)N(CC)C1CN(C(=O)[C@H]2CCC(=O)N2C)C1 1079482221 NPWDZSKYPJGQGB-CYBMUJFWSA-N 323.393 -0.131 30 20 DBED CCN(C(=O)C#CC1CC1)C1CN(C(=O)[C@@H]2CNC(=O)N2)C1 1079739561 XXTALUDMBJDZBM-LBPRGKRZSA-N 304.350 -0.860 30 20 DBED Cc1n[nH]cc1C(=O)NC1(CO)CCN(C(=O)[C@H](C)C#N)CC1 1080931479 VUPNLLFGVTWAJP-SNVBAGLBSA-N 319.365 -0.039 30 20 DBED C=CCn1cc(C(=O)N2C[C@H](O)[C@H](CNC(=O)CC)C2)nn1 1081143432 AJYZEJYTSKBGOS-PWSUYJOCSA-N 307.354 -0.577 30 20 DBED C#CCOCCC(=O)N1C[C@H](O)[C@H](CNC(=O)CCC=C)C1 1081337872 JSXKZDXXOHLYIN-KGLIPLIRSA-N 308.378 -0.072 30 20 DBED C#CCCCCC(=O)NC[C@H]1CN(C(=O)c2cnon2)C[C@H]1O 1081417505 UQPLDGLCVKRFAX-WCQYABFASA-N 320.349 -0.188 30 20 DBED C=CCCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cn(C)nn2)C1 1081452222 FDAREVOUIDSWBP-WCQYABFASA-N 321.381 -0.280 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@H](CNC(=O)CC2(O)CCC2)C1 1081465680 KKUMMNXGSSPLJY-KGLIPLIRSA-N 322.405 -0.114 30 20 DBED N#CCSCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cnco2)C1 1081622722 ASMXSMQAVKLQJY-VHSXEESVSA-N 324.362 -0.520 30 20 DBED CC(C)(C)C#CC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2cnon2)C1 1081684311 DSPLYJHBUXWLJW-ZYHUDNBSSA-N 320.349 -0.332 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cc(C(N)=O)cs1 1083285181 IMSZZHHEOULMAW-WDEREUQCSA-N 320.374 -0.104 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2n[nH]cc2C(F)(F)F)C1 1083516162 QLZRFRMWSVFYRS-SFYZADRCSA-N 303.244 -0.273 30 20 DBED N#CCN1C[C@H](O)[C@H](NC(=O)c2nc3cccnc3s2)C1 1083527476 VQQUOBZGGHYFRJ-ZJUUUORDSA-N 303.347 -0.010 30 20 DBED C=C(Cl)CN1CC[C@H](NC(=O)c2cc(=O)n(C)o2)[C@@H](O)C1 1090225328 NAZZBFXXZLZBHI-UWVGGRQHSA-N 315.757 -0.104 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2cnc3[nH]nnc3c2)[C@H](O)C1 1090325390 BFBORLZRUVVNFS-ZYHUDNBSSA-N 300.322 -0.849 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1O 1090445772 QVUJPQMSWPZFQW-CHWSQXEVSA-N 317.349 -0.393 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(c2nc(C)cc(C)n2)C[C@H]1O 1090494760 IUDIURMILOSXCP-ZIAGYGMSSA-N 318.377 -0.201 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2ccoc2CC(N)=O)[C@H](O)C1 1090520609 QMJIRTRASWKPRK-CHWSQXEVSA-N 319.361 -0.504 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2cnc3c(cnn3C)c2)[C@H](O)C1 1090679721 PTDVIWIDFRQUSP-ZIAGYGMSSA-N 313.361 -0.234 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(c2cc(C)nc(C)n2)C[C@@H]1O 1091152741 HDAARINYMXYDOV-BNOWGMLFSA-N 318.377 -0.203 30 20 DBED CN(C)CCC(=O)N[C@@H]1CCN(c2ccc(C#N)nc2)C[C@@H]1O 1092174527 SOCJQMPEWFOCSC-CABCVRRESA-N 317.393 -0.039 30 20 DBED C#CCOCCC(=O)N1CCN(c2nccn3nnnc23)CC1 1093177656 FZJUVQSBZRBQOM-UHFFFAOYSA-N 315.337 -0.792 30 20 DBED CC(C)(C(N)=O)C(=O)NC1[C@H]2CN(c3nccnc3C#N)C[C@H]12 1093316468 OMLYHGCVEISDBO-IUCAKERBSA-N 314.349 -0.589 30 20 DBED CN(C)C(=O)CC(=O)NC1[C@H]2CN(c3ncccc3C#N)C[C@H]12 1093358279 PETPDACOVVGYDB-RYUDHWBXSA-N 313.361 -0.018 30 20 DBED CNC(=O)NCC(=O)NC1[C@H]2CN(c3ccncc3C#N)C[C@H]12 1093361561 OXDITICZNRBTRK-QWRGUYRKSA-N 314.349 -0.567 30 20 DBED C[C@H](C(=O)NCCN=c1cc[nH]c(C#N)n1)N1CCCCC1=O 1093666454 ZGRBEPXIRQLVEA-LLVKDONJSA-N 316.365 -0.301 30 20 DBED C#CCN1CC(n2cc(CNC(=O)c3csc(O)n3)nn2)C1 1094312913 XGAMMFLLGJVYDT-UHFFFAOYSA-N 318.362 -0.140 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)C3=CCOCC3)CC2=O)C1 1094732139 XUGNGKPEEZILLX-CYBMUJFWSA-N 305.378 -0.080 30 20 DBED C=CCN1CC(N2C[C@H](NC(=O)c3ccnnc3C)CC2=O)C1 1094753521 MPFWGKKECIRPGM-GFCCVEGCSA-N 315.377 -0.014 30 20 DBED CNC(=O)NCCC(=O)N1CC[C@@H](Nc2cnc(C#N)cn2)C1 1095033021 XTOKENFROQAKJI-SNVBAGLBSA-N 317.353 -0.320 30 20 DBED CCC(=O)NCC(=O)NCCCN(C)c1nccnc1C#N 1095498484 SFCFDDGRFFBPHX-UHFFFAOYSA-N 304.354 -0.183 30 20 DBED C#CCNCc1cn([C@@H]2CCN(C(=O)Cn3cccn3)C2)nn1 1098611933 VTSLWQNSFSCKTN-CQSZACIVSA-N 313.365 -0.329 30 20 DBED C[C@@H](CCNC(=O)c1c[nH]c(=O)cn1)N=c1cc[nH]c(C#N)n1 1099666674 ABQJQJXFQQVZOU-VIFPVBQESA-N 313.321 -0.526 30 20 DBED COc1cc(CCC(=O)N[C@H]2CCN(CC#N)C[C@H]2O)on1 1099852835 FVWGMXURAGUVFG-NWDGAFQWSA-N 308.338 -0.309 30 20 DBED C=CCOCCN1CC[C@H](NC(=O)c2[nH]nnc2C)[C@H](O)C1 1099942400 RCOPQRFRZXKVFH-NWDGAFQWSA-N 309.370 -0.519 30 20 DBED CNC(=O)NCCC(=O)NCCN(C)c1ncccc1C#N 1100059066 IMQDTOQNCWVYKJ-UHFFFAOYSA-N 304.354 -0.175 30 20 DBED CC#CCN1CC[C@H](NC(=O)CCc2cnccn2)[C@@H](O)C1 1100067108 MUXRHXDYIHHQIL-GJZGRUSLSA-N 302.378 -0.016 30 20 DBED N#CCN1CC[C@H](NC(=O)CCOC2CCOCC2)[C@H](O)C1 1100071390 CUDOOKIRQBLMFL-UONOGXRCSA-N 311.382 -0.353 30 20 DBED Cc1nc(C)n(CCCC(=O)N[C@H]2CCN(CC#N)C[C@H]2O)n1 1100071774 JRRQAHFZPPKGBV-UONOGXRCSA-N 320.397 -0.250 30 20 DBED CC#CCN1CC[C@H](NC(=O)C(=O)Nc2cc(C)on2)[C@@H](O)C1 1100110258 SKWGIKKVXFJKLI-RYUDHWBXSA-N 320.349 -0.504 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)Cc2cnn(C)c2)C1 1100175719 MMIQUCSXXZQZDR-UHFFFAOYSA-N 317.393 -0.804 30 20 DBED N#Cc1ccc(N2CCC[C@H]2CNC(=O)Cn2cnnn2)nc1 1100777021 XPLRQMBKESAZRB-LBPRGKRZSA-N 312.337 -0.275 30 20 DBED C=CCCOCC(=O)NCC1CC(NCC(=O)NCC#N)C1 1101053176 LGMGSIDGTMNEHC-UHFFFAOYSA-N 308.382 -0.297 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(CCS(C)(=O)=O)C[C@H]1C 1101817435 RDTHIIXMOPLMRY-CHWSQXEVSA-N 318.439 -0.082 30 20 DBED CN(CCN=c1cc[nH]c(C#N)n1)C(=O)c1ccc(C(N)=O)[nH]1 1101970155 WXVPMOBQKQAZLZ-UHFFFAOYSA-N 313.321 -0.619 30 20 DBED C#CCNC(=O)CC(=O)N(C)[C@@H]1CCN(c2cc(C)ncn2)C1 1102693942 QXOXPDFNVNILPX-CYBMUJFWSA-N 315.377 -0.038 30 20 DBED CC[C@H](CNC(=O)C1=COCCO1)N=c1cc[nH]c(C#N)n1 1102978387 WGGOLLXEKXPQQD-SNVBAGLBSA-N 303.322 -0.035 30 20 DBED C[C@H](CNC(=O)Cn1ncnn1)CNc1cnc(C#N)cn1 1104095335 RMGSQRVOAYOJPA-VIFPVBQESA-N 301.314 -0.801 30 20 DBED C[C@H](CNC(=O)c1nnn(C)n1)CNc1ccc(C#N)nn1 1104181488 CJWJBUDIFNDKES-QMMMGPOBSA-N 301.314 -0.650 30 20 DBED C[C@@H](CNc1cncc(C#N)n1)N(C)C(=O)[C@@H]1CN(C)C(=O)N1 1104765991 AOONUKIYIKJSSZ-ONGXEEELSA-N 317.353 -0.369 30 20 DBED C[C@H](CC(=O)N(C)CCN(C)c1cnc(C#N)cn1)NC(N)=O 1105473396 XVLPTPHOGGYKJB-SNVBAGLBSA-N 319.369 -0.310 30 20 DBED CCn1ncc(C(=O)NC[C@H](O)CNc2ccc(C#N)cn2)n1 1105822766 VKIVKEKWSCZMDV-LLVKDONJSA-N 315.337 -0.233 30 20 DBED C[C@H]1CCN(CC(=O)NC[C@@H](O)CNc2cnc(C#N)cn2)C1 1106104078 HGHBAADYPMKQKB-AAEUAGOBSA-N 318.381 -0.421 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)Cc1n[nH]c(C)n1 1106751798 LDWFTHDRAVNZBR-UHFFFAOYSA-N 314.353 -0.300 30 20 DBED Cc1nc(O)[nH]c1C(=O)NC/C=C/CN=c1cc[nH]c(C#N)n1 1107385736 WKHHWMLAOHSHHB-NSCUHMNNSA-N 313.321 -0.095 30 20 DBED C[C@@H](C#N)C(=O)NC[C@]1(C)CN(CC(=O)NCC2CC2)CCO1 1107819180 MEPUDGGQNXUNIV-BLLLJJGKSA-N 322.409 -0.121 30 20 DBED C[C@H](CNc1nccnc1C#N)NC(=O)C(=O)NCC(F)F 1108006251 FBHZWCRSAZZWMV-SSDOTTSWSA-N 312.280 -0.354 30 20 DBED CC(C)(C(=O)NC[C@@]1(C)CN(CC#N)CCO1)N1CCOCC1 1108282649 XSZIKUMZYUIRIN-INIZCTEOSA-N 324.425 -0.172 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)c2ccc(C(N)=O)cn2)C1 1108436470 RQRFVNPYGICXCL-INIZCTEOSA-N 316.361 -0.366 30 20 DBED C#CCCN1CC(N2C[C@H](NC(=O)CCOCC#C)CC2=O)C1 1108545969 KYDOGZDHNZHFLK-CQSZACIVSA-N 317.389 -0.549 30 20 DBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H]1CCCCO1 1109150985 NTVQTJYPEVWAIZ-RFGFWPKPSA-N 320.393 -0.083 30 20 DBED N#Cc1ccc(NC[C@H](NC(=O)Cn2ncnn2)C2CC2)nn1 1109916963 CPPZXRMQJXBKGN-NSHDSACASA-N 313.325 -0.658 30 20 DBED Cn1nccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1110358232 INYKBQHYFXHUOO-UTUOFQBUSA-N 316.365 -0.605 30 20 DBED COCCC(=O)NC[C@@]1(O)CCN(c2cncc(C#N)n2)C1 1111015498 HHOZCEGUHSZOMG-AWEZNQCLSA-N 305.338 -0.558 30 20 DBED C=CCNC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1nc[nH]n1 1111165558 NKOPPOCEFHAHNO-KKOKHZNYSA-N 318.381 -0.170 30 20 DBED C#CCOCCC(=O)N(C)[C@H]1CN(c2nc(C)ns2)C[C@@H]1O 1111190378 AKEQRYZNYUWHNJ-RYUDHWBXSA-N 324.406 -0.106 30 20 DBED COC[C@H](C)C(=O)NC[C@@H]1COCCN1c1ccnc(C#N)n1 1111666013 UDQVWMNDIJSODW-NWDGAFQWSA-N 319.365 -0.048 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@@H]2CCC[C@]2(CNCC#N)C1 1112312244 PYCKOKYGYFIHLP-BBRMVZONSA-N 302.378 -0.132 30 20 DBED CCCOCC(=O)NC[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1O 1112708836 AEPXZRSKNFVFCG-DGCLKSJQSA-N 319.365 -0.312 30 20 DBED C[C@H](CNC(=O)c1cc(=O)n(C)o1)N(C)c1ccnc(C#N)n1 1113579018 CUBSFXHKFONNNF-SECBINFHSA-N 316.321 -0.105 30 20 DBED C[C@@H](CNC(=O)Cn1cncn1)N(C)c1cncc(C#N)n1 1113609470 LPOBPYNRMMVKIL-JTQLQIEISA-N 300.326 -0.419 30 20 DBED C=CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)c3cnn(C)c3)[C@H]2C1 1113842624 WQBFWNMDURNLLG-SCUASFONSA-N 317.393 -0.229 30 20 DBED Cc1ccc(C(=O)NC2[C@@H]3CN(CC(=O)NCC#N)C[C@@H]23)n1C 1113864877 PVBDJJAAHXNIBH-VXGBXAGGSA-N 315.377 -0.367 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)c3cccn3C)[C@@H]2C1 1113866960 IWNKACCLJBVLDM-YNEHKIRRSA-N 314.389 -0.177 30 20 DBED C=CCNC(=O)CN1C[C@H]2C(NC(=O)[C@@H](C)n3cncn3)[C@@H]2C1 1114147354 WSJWMHIXJGTKRP-IJLUTSLNSA-N 318.381 -0.812 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)Cc3ccnn3C)[C@H]2C1 1114186110 FLUWWXPPXDMPGP-STQMWFEESA-N 317.393 -0.689 30 20 DBED O=C(C#CC1CC1)NC1[C@@H]2CN(Cc3nnnn3C3CC3)C[C@@H]12 1114253727 UDUKHGBTJAMLJV-CHWSQXEVSA-N 312.377 -0.032 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H]1[C@@H]2CN(CC(=O)N(C)C3CC3)C[C@@H]21 1114263045 NSPZZWZJTVMRTG-YYWXWVFPSA-N 319.405 -0.308 30 20 DBED N#CCNC(=O)CN1C[C@H]2C(NC(=O)CCOCC3CC3)[C@@H]2C1 1114275849 OBBOCKBYILRTGY-CHWSQXEVSA-N 320.393 -0.511 30 20 DBED Cc1cc(C)c(C(=O)NC2[C@H]3CN(CC(=O)NCC#N)C[C@H]23)[nH]1 1114466529 POHUXDALFWSZRM-RYUDHWBXSA-N 315.377 -0.069 30 20 DBED CNC(=O)CC(=O)N[C@H]1C[C@H](CN=c2cc[nH]c(C#N)n2)C1 1114763051 LUHCVEZBUAJKPP-MGCOHNPYSA-N 302.338 -0.787 30 20 DBED C=CCNC(=O)Cn1nnnc1N1CC[S@@](=O)C[C@H](C)C1 1120156227 MSWYTKRKHRGVTL-LADRHHBVSA-N 312.399 -0.820 30 20 DBED Cc1cc(=N[C@H](CO)CNC(=O)[C@@H]2CCOC2)c(C#N)c[nH]1 1121171354 GSNCLANTCVFTAN-YPMHNXCESA-N 304.350 -0.391 30 20 DBED C=CCCOCC(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)OC 1121236862 DBEVLIHZCPSJOY-SNVBAGLBSA-N 305.352 -0.622 30 20 DBED C[C@H](NC(N)=O)C(=O)NC[C@H](CO)Nc1ncc(C#N)cc1F 1121377094 LWVHIMLICBDQQW-IONNQARKSA-N 324.316 -0.962 30 20 DBED C=CCO[C@H](C)C(=O)NC[C@@H](CO)Nc1cnc(C#N)cn1 1121749025 KKOBJNJMNGWEHP-PWSUYJOCSA-N 305.338 -0.172 30 20 DBED Cc1ncc(C(=O)NC[C@H](CO)Nc2nccnc2C#N)n1C 1122405643 QWXCWDXLQQLXTG-SNVBAGLBSA-N 315.337 -0.407 30 20 DBED C[C@@H]1OCCO[C@@H]1C(=O)NC[C@@H](CO)Nc1ccc(C#N)nc1 1122775540 DMIXEFPRTXKJQT-BPNCWPANSA-N 320.349 -0.354 30 20 DBED CN(C[C@H](O)CNc1cnc(C#N)cn1)C(=O)c1cncnc1 1124328773 BKZXLTSXMZGVPL-GFCCVEGCSA-N 313.321 -0.317 30 20 DBED COC[C@@H](OC)C(=O)N(C)C[C@@H](O)CNc1cnc(C#N)cn1 1124722325 XXIBAPUERQCDCW-NWDGAFQWSA-N 323.353 -0.759 30 20 DBED CN(C[C@H](O)CN(C)c1ccc(C#N)nn1)C(=O)c1ccon1 1124981438 GHRZETWVOFQUBZ-LLVKDONJSA-N 316.321 -0.094 30 20 DBED CC(=O)NCCOCCNCCNC(=O)c1ccc(C#N)[nH]1 1125784170 XRPFPNZFMNJHPP-UHFFFAOYSA-N 307.354 -0.642 30 20 DBED C#CCNC(=O)CNCCNC(=O)c1c(C2CCC2)cnn1C 1127760140 FZSVVVAKOYNXPI-UHFFFAOYSA-N 317.393 -0.244 30 20 DBED C[C@@H](Oc1cccc(F)c1)C(=O)NCCNCC(=O)NCC#N 1127978307 AJFQRTMUVIVEMD-LLVKDONJSA-N 322.340 -0.061 30 20 DBED Cn1nc(C(=O)NCCNCC(=O)NCC#N)cc1C1CC1 1128870109 ZLNWCAUIOJRWCK-UHFFFAOYSA-N 304.354 -0.743 30 20 DBED C#CCCN[C@@H]1CN(C(=O)c2cn(C)cn2)C[C@@H]1n1ccnn1 1129747966 KCQZRKMKHYHDHO-OCCSQVGLSA-N 313.365 -0.310 30 20 DBED C=C(C)CCN[C@@H]1CN(C(=O)CC(=O)NC)C[C@@H]1n1ccnn1 1129773952 FEBMEHOKDMISAK-OLZOCXBDSA-N 320.397 -0.278 30 20 DBED C#CCOCCC(=O)N1C[C@H](n2ccnn2)[C@H](NC[C@H](C)O)C1 1129837835 MWBZOFOQMHZJAM-MJBXVCDLSA-N 321.381 -0.960 30 20 DBED CCO[C@H](C)C(=O)NCc1nc([C@H]2COCCN2CC#N)n[nH]1 1130831864 PXRPFCJMPXCFFC-GHMZBOCLSA-N 322.369 -0.257 30 20 DBED C#CCNC[C@H]1CN(C(=O)c2nnc(O)nc2O)CC[C@H]1C 1132955519 SIVVOUPASRGKCP-ZJUUUORDSA-N 305.338 -0.396 30 20 DBED C#CCNC(=O)CC(=O)N[C@H](C)C[C@@H](C)NCC(=O)N(C)C 1134130425 HMDSRQKUPLXAKB-VXGBXAGGSA-N 310.398 -0.913 30 20 DBED C#CCN[C@H](C)C[C@H](C)NC(=O)CN1CCCS1(=O)=O 1134553347 PHELPKYAAAAHFM-NEPJUHHUSA-N 301.412 -0.472 30 20 DBED CCn1nc(C)c(C(=O)NCCNCC(=O)NCC#N)c1C 1135409106 IJENHROCSWPFML-UHFFFAOYSA-N 306.370 -0.521 30 20 DBED C#CCCN1CCCO[C@H](CNC(=O)C[C@H]2CCNC2=O)C1 1149853613 BYVMHFJJZMRMKD-ZIAGYGMSSA-N 307.394 -0.257 30 20 DBED COCC#CCNCCNC(=O)[C@@H]1CCc2nnc(C)n2C1 1152091681 STSXNTJKSSPMTP-CYBMUJFWSA-N 305.382 -0.495 30 20 DBED C#CCNC(=O)CC(=O)NCCCN[C@@H](C)C(=O)N(C)C(C)C 1156852609 GZZCIWABOXHHOU-ZDUSSCGKSA-N 324.425 -0.523 30 20 DBED CCNC(=O)NC(=O)CNCC1(CCNC(=O)[C@H](C)C#N)CC1 1163854263 LWALUCBFYNZIAU-LLVKDONJSA-N 323.397 -0.132 30 20 DBED N#CCNC(=O)CNCCCNC(=O)C1(CF)CCOCC1 1166687337 NZIQQACRHXNKHL-UHFFFAOYSA-N 314.361 -0.512 30 20 DBED C=CCOCCNCCCNC(=O)[C@H]1COCCN1C(C)=O 1176530529 LNGFXBBAZUBBBF-CQSZACIVSA-N 313.398 -0.468 30 20 DBED C=CCNCCCC[C@@H](C)NC(=O)c1cn(CC(N)=O)nn1 1176754612 WSPQDLMNEMIHLM-LLVKDONJSA-N 308.386 -0.172 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)/C=C\c2ccc[nH]2)C1 1182173750 QIZFLUVZRIPRNC-GEXIGZQTSA-N 300.362 -0.032 30 20 DBED CCN(CCC#N)C(=O)CN[C@@H]1CCN(C(=O)c2ncc[nH]2)C1 1182352624 UXLVOYRFMWXARN-GFCCVEGCSA-N 318.381 -0.024 30 20 DBED Cn1ncc(Cl)c1C(=O)N1CC[C@@H](NCC(=O)NCC#N)C1 1182606664 HFHRYUFLLOOJKF-SECBINFHSA-N 324.772 -0.483 30 20 DBED C#CCNC[C@@H]1CCN(C(=O)c2nccnc2C(N)=O)C[C@@H]1C 1185651689 IRIBBPLZZLLURZ-RYUDHWBXSA-N 315.377 -0.104 30 20 DBED CNC(=O)CC(=O)N1C[C@H](CNCC#N)C2(CCOCC2)C1 1186357515 WKMGSVDAQLIHKD-LBPRGKRZSA-N 308.382 -0.509 30 20 DBED C=CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2cn(CC)nn2)C1 1186671285 AKOANCFGURJCCG-VXGBXAGGSA-N 320.397 -0.207 30 20 DBED C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)c2[nH]c(C)nc2C)C1 1192399025 UMQMXWYQRDXPGT-CYBMUJFWSA-N 317.393 -0.078 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2nncs2)C[C@H]1O 1192892180 UTJSPPXNAUUCJW-GMTAPVOTSA-N 310.379 -0.762 30 20 DBED C[C@@H](C#N)C(=O)N1CCCN(CC(=O)NC[C@@H]2CCCO2)CC1 1195314576 NBZUIYGDDZTLNJ-KBPBESRZSA-N 322.409 -0.024 30 20 DBED Cc1nnsc1C(=O)N1CCC(NCC(=O)NCC#N)CC1 1199282334 HDSCUHFGAJWLTO-UHFFFAOYSA-N 322.394 -0.320 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(CCn2cncn2)C[C@H]1O 1199307288 GULGINUCVANBCQ-CHWSQXEVSA-N 309.370 -0.968 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCC(NCCOCCO)CC1 1201094700 VDCWJQIMLIBOPT-INIZCTEOSA-N 323.437 -0.327 30 20 DBED C=CCNC(=O)CNC1CCN(C(=O)[C@@]2(C)CCNC2=O)CC1 1202479207 KWAYGCKLJZKUBG-INIZCTEOSA-N 322.409 -0.605 30 20 DBED CC(C)C#CC(=O)N[C@H]1C[C@H](NCC(=O)NC(N)=O)C12CCC2 1202878050 QEUFVLPODNLDQJ-RYUDHWBXSA-N 320.393 -0.142 30 20 DBED C=CCNC(=O)CNCC1CCN(C(=O)c2[nH]nnc2C)CC1 1205839926 YYZQIXJIJYGJMP-UHFFFAOYSA-N 320.397 -0.143 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1CN(Cc2ncccn2)C[C@H]1C 1206887351 HPUORPUBAKOAIN-CHWSQXEVSA-N 315.377 -0.447 30 20 DBED CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H]1CN(CC#N)C[C@H]1C 1207037736 UZLNUKJRUOXRCB-GMTAPVOTSA-N 302.400 -0.726 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@H](N[C@@H](C)C(=O)N(C)C)C1 1207872788 VJTDWSNXSAMOOK-STQMWFEESA-N 322.409 -0.817 30 20 DBED CC(C)C#CC(=O)N1CCC[C@H](N[C@H](C)C(=O)NC(N)=O)C1 1207989381 MEZSHBYHLFTRFE-NEPJUHHUSA-N 308.382 -0.190 30 20 DBED C=CCCC(=O)N[C@@H]1CN([C@@H](C)C(=O)NC(N)=O)C[C@H]1OC 1212024030 GSRMYWJMEBMTSR-HBNTYKKESA-N 312.370 -0.649 30 20 DBED C=CCNC(=O)CN1C[C@@H](NC(=O)c2nccs2)[C@H](OC)C1 1213609257 RZPGBAVTQCLZEW-GHMZBOCLSA-N 324.406 -0.126 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)C(C)(C)COC)C[C@H]1C 1215148405 LJISTCPFJNFCPI-CHWSQXEVSA-N 309.410 -0.155 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)CCC(=C)C)C1 1219720720 WTDIZQAVTHJEIJ-MJBXVCDLSA-N 307.394 -0.358 30 20 DBED CC(C)C[C@]1(C(=O)N[C@@H]2CN(CC#N)C[C@@H]2O)CCNC1=O 1219828102 VLCUWIZVUNRRSL-TYNCELHUSA-N 308.382 -0.776 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)Cc2cncs2)C1 1219842196 KLPCXDPXGUFUNM-NEPJUHHUSA-N 324.406 -0.851 30 20 DBED C=CC(C)(C)C(=O)N[C@@H]1CN(CC(=O)Nc2ccon2)C[C@@H]1O 1220148150 YQMWHGLMTLYHGU-MNOVXSKESA-N 322.365 -0.013 30 20 DBED C=CCCCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCCS2(=O)=O)C1 1221017407 ZTMQIUQKCLXECA-AGIUHOORSA-N 316.423 -0.309 30 20 DBED C=CCNC(=O)CN1CCC(NC(=O)c2cccnn2)CC1 1229685695 IHIRFBJDKQLXPB-UHFFFAOYSA-N 303.366 -0.027 30 20 DBED C=CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)[C@H]1CCCN1C 1231255233 KJEFWQHOVIJFQK-ZIAGYGMSSA-N 308.426 -0.085 30 20 DBED C=CCNC(=O)[C@H](C)N(C)CCCNC(=O)[C@@H]1COCCO1 1234245084 ZJASRBWTXCOGQA-STQMWFEESA-N 313.398 -0.469 30 20 DBED C#CCNS(=O)(=O)c1cccc(C(=O)Nn2cnnc2)c1 1254255574 ODLRSZXRFMGQQM-UHFFFAOYSA-N 305.319 -0.427 30 20 DBED N#Cc1ccc(CNC(=O)C(=O)NC[C@H]2COCCN2)cc1F 1261819422 YSTSPHXUEVVUJV-LBPRGKRZSA-N 320.324 -0.582 30 20 DBED N#CCCn1ccc(NC(=O)C(=O)N2CCC(CO)CC2)n1 1319036857 FHUXOCAHISHOEE-UHFFFAOYSA-N 305.338 -0.034 30 20 DBED Cc1cc(NC(=O)C(=O)N2CCO[C@H](C#N)C2)n(CCC#N)n1 1319959724 FICKLWGAWJQKLB-LLVKDONJSA-N 316.321 -0.205 30 20 DBED C[C@H](C#N)OCCN[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 1321298813 LZYTVIZFUHIKRU-UPJWGTAASA-N 317.411 -0.998 30 20 DBED CCOC(=O)C1(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 1323380460 UAELBAMYGYVXNY-QXMHVHEDSA-N 321.333 -0.028 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CC[C@H](COCCOC)C1 1323820037 PNEADPBKNSSCRW-QWHCGFSZSA-N 314.382 -0.185 30 20 DBED COCCNCCNC(=O)C(=O)NCCc1ccc(C#N)cc1 1327840400 HGQVJVRVGUXPBE-UHFFFAOYSA-N 318.377 -0.431 30 20 DBED C[C@@H](NC(=O)C(=O)N1CC[C@@](O)(CC#N)C1)C1CCOCC1 1328303431 PYHSIKWMYTVXPD-ABAIWWIYSA-N 309.366 -0.205 30 20 DBED C#CC1CCN(C(=O)C(=O)N2C[C@@H](C(=O)OC)C[C@@H](O)C2)CC1 1328446127 VYMXHTGNAKKUKL-QWHCGFSZSA-N 322.361 -0.759 30 20 DBED CN1C(=O)CC[C@@H](NC(=O)C(=O)N2CCC(C#N)CC2)C1=O 1332065685 GOJNATWAYDMHKD-SNVBAGLBSA-N 306.322 -0.988 30 20 DBED C#CCSCCNC(=O)C(=O)N1CCOC[C@@H]1CCO 1333356931 QARXRFYBHZBFOW-NSHDSACASA-N 300.380 -0.921 30 20 DBED C#CCN(C(=O)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1)C(C)C 1334054972 CGKNLXDGVBEZHB-ZDUSSCGKSA-N 317.393 -0.015 30 20 DBED CC[C@@H](O)CCNC(=O)NCCN/C(O)=C1/N=CC=CC1=O 1340494724 MSQQCHHFPYPCKP-JBEXSADBSA-N 310.354 -0.027 30 20 DBED C[C@@H](C#N)CNC(=O)C(=O)Nc1ccn(C(C)(C)C(=O)O)n1 1347045945 KAHQXRJFIUKPPI-QMMMGPOBSA-N 307.310 -0.083 30 20 DBED N#CCN1CCC(NC(=O)C(=O)N2CCC[C@H]2CCO)CC1 1348682337 WJVCECGRRUDNTH-ZDUSSCGKSA-N 308.382 -0.536 30 20 DBED C#CC1CCN(C(=O)C(=O)N[C@@H](C)[C@@H]2CN(C)CCO2)CC1 1349247508 ABGFMYRSVOKYQF-JSGCOSHPSA-N 307.394 -0.307 30 20 DBED CN(C[C@@H]1COCCO1)C(=O)C(=O)Nc1ccc(C#N)cn1 1350203999 CYCIQEPWQQBYOD-LLVKDONJSA-N 304.306 -0.234 30 20 DBED N#Cc1ncn(CC(=O)N[C@@H]([C@H]2CCCO2)C2(CO)CCC2)n1 1362848363 REFISYPXDBLVAN-RISCZKNCSA-N 319.365 -0.024 30 20 DBED C[C@]1(C(=O)NCCn2cc(C#N)c(O)nc2=O)CCCCO1 1363127784 JKCVRNWNBFPFPC-CQSZACIVSA-N 306.322 -0.104 30 20 DBED COCC[C@H](NC(=O)Nc1cnc(OC)c(C#N)c1)C(N)=O 1365275711 HKIPIPAXCSEZHW-JTQLQIEISA-N 307.310 -0.026 30 20 DBED C=C(Cl)CN1CC[C@@H]1CNC(=O)Cn1cnc(C(N)=O)n1 1367937085 LNEHDYGSLSYELB-SECBINFHSA-N 312.761 -0.680 30 20 DBED N#Cc1c[nH]c(C(=O)NC2(CNC(=O)[C@@H]3COCCO3)CC2)c1 1378657428 BTAFAAJDXZCSMN-LBPRGKRZSA-N 318.333 -0.320 30 20 DBED C[C@@H](CN(C)C(=O)CCCS(N)(=O)=O)NC(=O)[C@H](C)C#N 1383808312 CWGOKFWZVQKSHG-ZJUUUORDSA-N 318.399 -0.822 30 20 DBED CCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1COCCO1 1395967996 OLCGGYVTQUKHIW-VXGBXAGGSA-N 307.354 -0.015 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1cccc2c1OCC2 1399860172 FNVULVGCAIQDKZ-JQWIXIFHSA-N 317.345 -0.012 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CNC(=O)C1(c2cccnc2)CC1 1410145249 BKJMRZWDQRLENV-WCQYABFASA-N 316.361 -0.134 30 20 DBED C[C@@H]1C[C@@H](NC(=O)Cn2cc(C#N)c(O)nc2=O)CN1C1CC1 1411898854 PGZZFGVZBQEBNQ-MWLCHTKSSA-N 317.349 -0.438 30 20 DBED Cc1onc(CC(=O)N[C@@H]2CCc3nnnn3CC2)c1C#N 1413144733 PSFXXGQZMXUYQO-SECBINFHSA-N 301.310 -0.095 30 20 DBED CC(C)C[C@@H](CNC(=O)[C@H](C)C#N)NC(=O)Cn1ncnn1 1416511131 NBQPTBWEXRIMJH-MNOVXSKESA-N 307.358 -0.520 30 20 DBED C[C@H](C#N)C(=O)NC1(C)CCN(C(=O)[C@H]2CCC(=O)N2)CC1 1417285314 PFUHVNHBJPJGRQ-GHMZBOCLSA-N 306.366 -0.078 30 20 DBED C[C@@H](C#N)C(=O)NC1CC(N(C)C(=O)CN2CCCNC2=O)C1 1426120565 JLZZDCZURLGCLD-UNXYVOJBSA-N 321.381 -0.333 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2CCN(C(=O)C3(NC(N)=O)CC3)[C@@H]2C1 1426483702 KDONVOCNGLHWAI-OUAUKWLOSA-N 319.365 -0.594 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)CCS(C)(=O)=O)C1 1428218410 HGIYZUGYLKCOHX-OPRDCNLKSA-N 301.368 -0.656 30 20 DBED CC(=O)NCC(=O)N(CCO)C1CCN(C(=O)[C@H](C)C#N)CC1 1429271311 XOKVILKRCIROQT-LLVKDONJSA-N 324.381 -0.906 30 20 DBED CC[C@H](NC(C)=O)C(=O)N1CC(NC(=O)c2cc(C#N)c[nH]2)C1 1432208571 PHXQUNGVTCNZQV-LBPRGKRZSA-N 317.349 -0.258 30 20 DBED N#CCC1(CS(=O)(=O)NCCN2CCCS2(=O)=O)CC1 1434554708 ZVMRKCBMYIJQQW-UHFFFAOYSA-N 321.424 -0.365 30 20 DBED C=C(Cl)CN[C@H](C)[C@H]1CN(C(=O)Cn2cnnn2)CCO1 1485631240 RDHRDSJDFVXFEW-GHMZBOCLSA-N 314.777 -0.369 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)CNC(=O)O 1573310804 CUMPQPSMWDGHQH-RYUDHWBXSA-N 324.381 -0.637 30 20 DBED COC(=O)C1(C#N)CCN(S(=O)(=O)CCC(=O)O)CC1 1573916209 OIHPJZYTUJHTHI-UHFFFAOYSA-N 304.324 -0.430 30 20 DBED CN(C)CC#CCNC(=O)N[C@H]1CC2(CNC2)n2ccnc21 1578413479 PJYUOMLBSSXUSA-LBPRGKRZSA-N 302.382 -0.509 30 20 DBED N#CCNC1CC(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1581857443 ATHYONHHACSNSR-UHFFFAOYSA-N 300.326 -0.184 30 20 DBED C#CC[C@@H](CO)NC[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 1588330701 CSCXJXKGVMHHRH-QWHCGFSZSA-N 317.349 -0.420 30 20 DBED C#CCN(CC(=O)O)c1nnc(-c2ccnn2C)n1CCOC 1588426194 BRQULOKGIFRJRJ-UHFFFAOYSA-N 318.337 -0.151 30 20 DBED C=C[C@H](COC)NS(=O)(=O)c1cncc(-c2nn[nH]n2)c1 1588525956 OFJXUIAUKZIDSV-SECBINFHSA-N 310.339 -0.259 30 20 DBED CCON(C)C(=O)CNc1cnc(C#N)c(-c2nn[nH]n2)n1 1590817933 PHQIOYKTTMFZDJ-UHFFFAOYSA-N 303.286 -0.650 30 20 DBED N#Cc1nc(N2C[C@@H](O)CC(F)(F)C2)cnc1-c1nn[nH]n1 1592704322 CHZOHGBANZUVCX-LURJTMIESA-N 308.252 -0.265 30 20 DBED CO[C@@]1(C(=O)O)CCN(C(=O)C(=O)Nc2cccc(C#N)n2)C1 1599071065 ZQKZVDVSWKVVIQ-AWEZNQCLSA-N 318.289 -0.406 30 20 DBED C=CCOC[C@H](NS(=O)(=O)c1ccc(C#N)cn1)C(=O)O 1602915663 QVOOWEWEJVJQFI-JTQLQIEISA-N 311.319 -0.113 30 20 DBED N#CC[C@@H](O)CN1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 1606351870 XIAKNTNBWTZIGA-GFCCVEGCSA-N 314.353 -0.342 30 20 DBED O=C(/C=C\c1ccccc1-c1nn[nH]n1)N[C@H]1CCN(O)C1=O 1606484917 JKJVFKVMZYXJAO-GZTOBOFZSA-N 314.305 -0.014 30 20 DBED N#CCN(CC(=O)O)C(=O)CCc1nc(-c2ncccn2)no1 1610622338 YQNDOYPUFRPGAN-UHFFFAOYSA-N 316.277 -0.104 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)c2ncccc2C)C1 1713081429 MACFXWLBTSCKJU-CYBMUJFWSA-N 300.362 -0.056 30 20 DBED Cn1nccc1C(=O)NC[C@@H]1CCCN1CC(=O)NCC#N 1753099096 QIBVIMSEGJXLDB-NSHDSACASA-N 304.354 -0.746 30 20 DBED C#CCNC(=O)[C@H](C)NCCN(C)C(=O)c1snnc1CC 1753209173 CHUKCMJFYPPLPI-JTQLQIEISA-N 323.422 -0.100 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC(CNC(=O)c2ccnn2C)C1 1753397400 MQAUXCRHNXDKHJ-LLVKDONJSA-N 305.382 -0.228 30 20 DBED C=CCNC(=O)CNC[C@@H](C)N(C)C(=O)CN1CCOCC1 1753686678 WUCDWVLYKKVUKK-CYBMUJFWSA-N 312.414 -0.943 30 20 DBED C#CCN1CCC[C@@](CO)(NC(=O)c2cc3ncccn3n2)C1 1754858653 FYIUMBBJGGIMLV-MRXNPFEDSA-N 313.361 -0.081 30 20 DBED C=C(C)CN(C)CCOCCNC(=O)C1CC(=O)NC(=O)C1 1755544360 SQVOLPYHUGDQCX-UHFFFAOYSA-N 311.382 -0.320 30 20 DBED C#CCCN[C@H](CO)CNC(=O)[C@@H](C)NC(=O)C1CCCC1 1755629433 MMEUQNVBHOTOPK-OCCSQVGLSA-N 309.410 -0.229 30 20 DBED C#CCN[C@H](CO)CNC(=O)c1cccnc1N1CCCC1 1755639930 BGSLGIYFVSQNER-ZDUSSCGKSA-N 302.378 -0.005 30 20 DBED C#CCCN[C@H](CO)CNC(=O)c1cnc2n[nH]c(C)c2c1 1755646767 SREJLEANJVGCRJ-LBPRGKRZSA-N 301.350 -0.030 30 20 DBED C#CCOCCC(=O)N1CC(CCO)(NC(=O)C2CCC2)C1 1756073188 HTUFXMGPYBBQKI-UHFFFAOYSA-N 308.378 -0.094 30 20 DBED C[C@@H](NC(=O)C#CC(C)(C)C)[C@@H]1CN(C(=O)CC(N)=O)CCO1 1756219387 XPVCGZHNLWESJR-NEPJUHHUSA-N 323.393 -0.357 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C[C@@H](C)NC(=O)c1ccc(O)nn1 1756453704 UFCJTJOIJQJGAL-GHMZBOCLSA-N 320.349 -0.203 30 20 DBED C=CCOCC(=O)NC1CC(N(C)C(=O)C2(C(N)=O)CC2)C1 1756747769 JEGZIUKPNQJZBK-UHFFFAOYSA-N 309.366 -0.440 30 20 DBED C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)CNC(=O)CC)C1 1756987347 UJFVHFRQJHNVDT-GHMZBOCLSA-N 311.382 -0.587 30 20 DBED CC#CCCCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccn(C)n2)C1 1756999393 SNIYVHDUGADKAI-ZIAGYGMSSA-N 318.377 -0.085 30 20 DBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccn1C 1794611967 RPGJWWOKJCUMHO-JJLQDPRZSA-N 301.346 -0.139 30 20 DBED C[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc[nH]1)C2 1800983019 ZKQOLXRIVRKKBW-GUDRVLHUSA-N 324.406 -0.069 30 20 DBED O=C(O)C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1CCCO1)C2 1801993189 LXXJJMKXGNAAFB-RNJOBUHISA-N 320.345 -0.108 30 20 DBED O=C(/N=C1/NCCS1)C1=CC=CN2CCS(=O)(=O)N=C12 60943840 VZOLKRXBIALTDT-UHFFFAOYSA-N 312.376 -0.297 30 20 DBED C#CCN1CCN(C(=O)CN(C)C(=O)[C@H](C)n2cccn2)CC1 128150812 QFSMJYWUDVACGY-AWEZNQCLSA-N 317.393 -0.320 30 20 DBED COC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1C#N 157086741 QIPATPWGWMLPIQ-MNOVXSKESA-N 310.331 -0.145 30 20 DBED CC#CCN1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 159210688 GRAHGQVKVHBDJI-UHFFFAOYSA-N 311.363 -0.292 30 20 DBED C=CCNC(=O)NC(=O)CN1Cc2ccccc2C[C@@H]1C(N)=O 208849886 TYQXGBHOFNYTKD-CYBMUJFWSA-N 316.361 -0.090 30 20 DBED CN(C)C(=O)CCC/N=C(\N)N1CCN(c2ncccn2)CC1 264135426 ZNDPOSXYWXXRSU-UHFFFAOYSA-N 319.413 -0.218 30 20 DBED C#CCSCCNC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 266336223 TYZFPDRCHYUIBO-WFFHOREQSA-N 322.386 -0.369 30 20 DBED CC#CCNC(=O)C(=O)Nc1cc(S(=O)(=O)NC)ccc1C 276271150 SLQFBPSAHYKUJN-UHFFFAOYSA-N 323.374 -0.019 30 20 DBED C#CCOc1cccc(NC(=O)C(=O)N2CC(CC(N)=O)C2)c1 280469825 OWVFXMMJQGSNJS-UHFFFAOYSA-N 315.329 -0.029 30 20 DBED C/C(O)=N/C[C@@H]1CN(/C(O)=N/C[C@@H]2CN(C)CCO2)CCO1 329405890 BXNGDIFOJUMKBG-CHWSQXEVSA-N 314.386 -0.092 30 20 DBED CC(=O)N1CCN(C(=O)CC/N=C(/O)N[C@@H]2[C@H]3COC[C@H]32)CC1 329988186 GVIWRADLNCQSKY-IMRBUKKESA-N 324.381 -0.784 30 20 DBED C[C@]1(O)CCN(/C(O)=N/C[C@H]2CCCN2S(C)(=O)=O)C1 330057105 WXLPCISTOBZETM-PWSUYJOCSA-N 305.400 -0.219 30 20 DBED Cc1nnc(N2C[C@@H](F)C[C@H]2CN(C)CC(=O)NCC#N)o1 332370154 DACZXEUSCNZPQM-QWRGUYRKSA-N 310.333 -0.134 30 20 DBED C[C@H](C#N)CN(C)S(=O)(=O)N[C@H](C)CCS(C)(=O)=O 332515470 OQMGSVNFPCHUFJ-NXEZZACHSA-N 311.429 -0.265 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)NCCCC(=O)NC1CC1 336952063 VMBJOUGSTYIZPZ-JTQLQIEISA-N 302.400 -0.029 30 20 DBED CN1CCC(CN(C)S(=O)(=O)N2CCO[C@H](C#N)C2)CC1 337082152 ZCYZOVMVDCJKEH-CYBMUJFWSA-N 316.427 -0.271 30 20 DBED COCCOC1CN(C(=O)C(=O)Nc2ccc(C#N)cn2)C1 340328062 MOBPCOLKHQEODI-UHFFFAOYSA-N 304.306 -0.234 30 20 DBED Cc1cc(NC(=O)C(=O)NCCN(C)C(C)C)nn1CCC#N 348801767 TTXACXUQFVQRBD-UHFFFAOYSA-N 320.397 0.500 30 20 DBED C=C(C)COCCN1C(=O)[C@@H]2CS(=O)(=O)CCN2C1=O 349106069 FWFUMQVCRWFIIK-JTQLQIEISA-N 302.352 -0.360 30 20 DBED COC[C@@H](C)n1ccc(NC(=O)NCCn2cnc(C#N)n2)n1 351564253 SQAILOUNBDRDCR-SNVBAGLBSA-N 318.341 0.375 30 20 DBED CCN(CC)S(=O)(=O)CCCS(=O)(=O)N(C)CC#N 356868089 KDTKMLRUIYBJNV-UHFFFAOYSA-N 311.429 -0.167 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H]2CCC[C@H](O)C2)C1=O 357140101 ZZIVGBRWQPEZTB-MNOVXSKESA-N 323.349 -0.370 30 20 DBED C=C(C)CN(C)C(=O)C(=O)N[C@@H]1CCOC[C@@H]1OCCOC 360198643 IEBXBHKMGZGLJA-OLZOCXBDSA-N 314.382 -0.042 30 20 DBED Cn1c(N2CC[C@H]([C@@H]3CCOC3)C2)c(C#N)c(=O)n(C)c1=O 371002725 CICITZJCVOAJHA-WDEREUQCSA-N 304.350 -0.182 30 20 DBED N#CCc1ccc(S(=O)(=O)N2CC[C@](O)(C(=O)O)C2)cc1 386481061 QKRAOIJEVPXVOF-CYBMUJFWSA-N 310.331 -0.037 30 20 DBED N#CCCC[C@@H](N)C(=O)NC[C@@H](N1CCNCC1)C(F)(F)F 424180867 WPWCYMZEOCKQKS-GHMZBOCLSA-N 321.347 -0.040 30 20 DBED CO[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)[C@H](CN)C1 424551307 VDFMTNSMGGIHSE-QNWHQSFQSA-N 308.382 -0.240 30 20 DBED C#CCN(CC#N)S(=O)(=O)c1ccc(OC)c(C(N)=O)c1 490877534 YJQMORDPBMYTCF-UHFFFAOYSA-N 307.331 -0.058 30 20 DBED CC(C)NS(=O)(=O)NCCNC(=O)c1ccc(C#N)o1 507295612 NYCSGURGSOPCBH-UHFFFAOYSA-N 300.340 -0.287 30 20 DBED N#Cc1ccc(S(=O)(=O)N[C@H](CCO)C(=O)O)c(F)c1 547869790 VPDANNZJUUJQKL-SECBINFHSA-N 302.283 -0.189 30 20 DBED CCC[C@@H](O)[C@H](CO)NC(=O)C(=O)Nc1cccc(C#N)n1 563104752 WPAQAWAGTWAXBM-WDEREUQCSA-N 306.322 -0.470 30 20 DBED N#C[C@H]1CN(S(=O)(=O)N2CC[C@H](n3cccn3)C2)CCO1 569657706 PGDAHWYUWKRTGV-RYUDHWBXSA-N 311.367 -0.401 30 20 DBED CC1CCN(C[C@H](O)CNC[C@@H](O)CN(C)CCC#N)CC1 583564857 IAOUWSDWVYNASX-HZPDHXFCSA-N 312.458 -0.125 30 20 DBED C=C[C@H](O)C(=O)N(C)CC(=O)N1CCC[C@@H](C(=O)OCC)C1 590433227 RURKXIZDBOFMCY-NEPJUHHUSA-N 312.366 -0.207 30 20 DBED COC[C@@]1(C(=O)O)CCN(S(=O)(=O)N(C)CCC#N)C1 591744503 DWBULLRRDBNXGN-LLVKDONJSA-N 305.356 -0.500 30 20 DBED N#Cc1cnn(CCn2cc(CCN3CCOCC3)nn2)c1 594646362 ZTMQGCNINRMBPQ-UHFFFAOYSA-N 301.354 -0.079 30 20 DBED CCOC(=O)c1cnn([C@H]2CCN(CC(=O)O)C2=O)c1C#N 596012642 LNALTDQXXLCJEW-VIFPVBQESA-N 306.278 -0.211 30 20 DBED N#CCNC(=O)CNC(=O)N[C@H](CO)c1ccc(F)cc1F 596599828 WDWRPYVRUNDVEL-LLVKDONJSA-N 312.276 -0.063 30 20 DBED CCC[C@H]1CNCCN1C(=O)C(=O)N1CCN(CCC#N)CC1 601580970 FUIGSQOMSKRYFM-AWEZNQCLSA-N 321.425 -0.355 30 20 DBED C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(CCC#N)CC2)CCN1C 602244191 BDPOXUUBMHDAPE-KGLIPLIRSA-N 321.425 -0.357 30 20 DBED C=C[C@H](O)C(=O)N1CCN(S(=O)(=O)CCOC(C)C)CC1 611844396 JFQQETFCOXBJGQ-LBPRGKRZSA-N 320.411 -0.568 30 20 DBED C=C[C@@H]1OCCC[C@H]1NC(=O)[C@H]1CCCN(S(N)(=O)=O)C1 615871719 NYYMUDVPANASFC-TUAOUCFPSA-N 317.411 -0.248 30 20 DBED C=C[C@](C)(O)C(=O)N1CCC(N2CCCS2(=O)=O)CC1 616253187 ABAWYTJDLCQOHO-ZDUSSCGKSA-N 302.396 -0.050 30 20 DBED CS(=O)(=O)NC1CC(NC(=O)N2CC[C@](F)(C#N)C2)C1 619763458 VBZPPTAJINHWQE-AMUVOQDHSA-N 304.347 -0.286 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)COC1CCOCC1 735364482 QDBLCFRBDGLSJE-UHFFFAOYSA-N 300.311 -0.263 30 20 DBED C#CCCN1CCN(C(=O)CCN2CCCS2(=O)=O)CC1 744364566 NXTLIHIZASPOFF-UHFFFAOYSA-N 313.423 -0.421 30 20 DBED N#Cc1ncn(CC(=O)N[C@@H](CO)C[C@H](O)c2ccccc2)n1 775784758 HYOQTEUMHIGKKX-OLZOCXBDSA-N 315.333 -0.249 30 20 DBED C#C[C@H](N[C@@H](C)C(=O)N1CCC(C(N)=O)CC1)[C@@H]1CCCO1 775796421 YIIOCXPVTZCOEU-UBHSHLNASA-N 307.394 -0.131 30 20 DBED C#CCN1CCN(C(=O)CNS(=O)(=O)c2cccnc2)CC1 810214319 VDTCSSHEZMADAJ-UHFFFAOYSA-N 322.390 -0.863 30 20 DBED CN(CCCNC(=O)[C@@](C)(C#N)CC(=O)O)S(C)(=O)=O 820592107 ICLWBUIUTXORGK-LLVKDONJSA-N 305.356 -0.611 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CC23CCC3)CC1 831564635 CVRKGFMVCSICAJ-GFCCVEGCSA-N 311.407 -0.212 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)C(F)(F)CC)CC1 831584522 LBQVSQQIDWALPO-UHFFFAOYSA-N 309.338 -0.357 30 20 DBED C#Cc1cccc(CNC(=O)C(=O)N2CCN(C)C[C@@H]2CN)c1 842033584 YGJNYXBVECCFRA-HNNXBMFYSA-N 314.389 -0.615 30 20 DBED C#CCCN1CCC(NC(=O)[C@@H]2CCN(C)S2(=O)=O)CC1 843803639 QWQXRTIJWWEETD-ZDUSSCGKSA-N 313.423 -0.376 30 20 DBED CC[C@@H](CN1CCOCC1)Nc1c(C#N)c(=O)n(C)c(=O)n1C 895800890 JFRUBYBMEMYKDZ-NSHDSACASA-N 321.381 -0.522 30 20 DBED CNS(=O)(=O)[C@H]1CCN(C(=O)c2cccc(C#CCO)c2)C1 901174924 OKNVPCSHCSWRJV-AWEZNQCLSA-N 322.386 -0.206 30 20 DBED C#CCN1CCN(C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)CC1 932708292 JBKZYYDROXMTSX-CVEARBPZSA-N 321.421 -0.356 30 20 DBED C=CCN(CC=C)C(=O)CN1CC[C@H](CS(N)(=O)=O)C1 932962782 KYMJLFUTRVTJDP-LBPRGKRZSA-N 301.412 -0.203 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CCn1ccnn1 936999368 IJPBIROXIDJOIL-WOPDTQHZSA-N 302.338 -0.360 30 20 DBED C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)Cn3ncnn3)C2)C1 938697075 ICXPPQBRRFSJSG-NSHDSACASA-N 304.354 -0.254 30 20 DBED Cn1cnc(C(=O)NC[C@@H]2CN(C(=O)C#CC3CC3)CCO2)c1 944547296 QVRSVSQQJSBYOS-CYBMUJFWSA-N 316.361 -0.209 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cnc(O)n(C)c2=O)C[C@@H]1C 947603701 YEUJQLLCBWGWTD-QWRGUYRKSA-N 304.350 -0.298 30 20 DBED N#Cc1c[nH]c(C(=O)N2C[C@H]3C[C@H]2[C@@H]3NC(=O)c2nc[nH]n2)c1 947755733 LAVVVPZILODUPC-DVVUODLYSA-N 311.305 -0.353 30 20 DBED CC#CCN1CCN(C(=O)c2ccc(-n3cnnn3)cn2)CC1 949468380 JRWZJJACABIRNR-UHFFFAOYSA-N 311.349 -0.162 30 20 DBED CN1C[C@H](C(=O)N[C@@H]2CCCN(C(=O)C#CC3CC3)C2)NC1=O 950761746 NEIWPLDOZAWOMP-CHWSQXEVSA-N 318.377 -0.469 30 20 DBED C#Cc1cncc(C(=O)NC[C@H]2CCN2C(=O)Cn2nccn2)c1 952014476 MSQNONGPMHQWSU-CQSZACIVSA-N 324.344 -0.315 30 20 DBED C#CCCN1CC(N(CC)C(=O)C2CC3(C2)NC(=O)NC3=O)C1 953833437 JIWMAZLQXQAYFJ-UHFFFAOYSA-N 318.377 -0.469 30 20 DBED CC(=O)N1CC(C(=O)NC[C@@H]2CCCN2C(=O)[C@@H](C)C#N)C1 956189431 WXNUFZVAKONMLM-GWCFXTLKSA-N 306.366 -0.268 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cccc3nc(O)[nH]c23)C1 958145011 GARJERKQBIYDMZ-GXFFZTMASA-N 314.345 -0.076 30 20 DBED CC#CCN1C[C@H](CNC(=O)c2ccn3nnnc3c2)[C@@H](O)C1 958320977 SCEUZUKWGTZECO-STQMWFEESA-N 314.349 -0.830 30 20 DBED COc1cc(C(=O)NC[C@@H]2CN(CC#N)C[C@H]2O)cc(C)n1 958334767 QBUBFJNGIAZYBT-CHWSQXEVSA-N 304.350 -0.055 30 20 DBED N#CCN1C[C@H]2[C@H](NC(=O)Cn3nc4ccccn4c3=O)[C@H]2C1 961410448 JLRFSWRWDWJVLC-YABSGUDNSA-N 312.333 -0.934 30 20 DBED N#Cc1ccc(C(=O)N[C@@H]2CC23CCN(C(=O)C(N)=O)CC3)[nH]1 963637031 AUXQEFDORJUTGH-LLVKDONJSA-N 315.333 -0.517 30 20 DBED O=C1CC[C@H](C(=O)NC[C@@H]2COCCN2C(=O)C#CC2CC2)N1 964132067 GCAXIXQZFOFKBU-CHWSQXEVSA-N 319.361 -0.978 30 20 DBED Cc1nn[nH]c1C(=O)N1CCOC2(C1)CN(C(=O)[C@H](C)C#N)C2 965434092 WJMQJQDKUVZGFA-SECBINFHSA-N 318.337 -0.674 30 20 DBED Cc1n[nH]cc1C(=O)N1CC2(C1)CN(C(=O)[C@H](C)C#N)CCO2 965478019 QBMXASGQUZTZBN-SNVBAGLBSA-N 317.349 -0.069 30 20 DBED C[C@H](C#N)C(=O)N1CC2(C[C@H](NC(=O)[C@@H]3[C@H]4COC[C@H]43)CO2)C1 965775874 MFRDHNGJGBIJJL-FHUSYTEZSA-N 319.361 -0.475 30 20 DBED CCN(C(=O)c1cn(C)c(=O)n1C)C1CN(C(=O)[C@H](C)C#N)C1 968066103 IQESBJFXKOUMNS-SNVBAGLBSA-N 319.365 -0.444 30 20 DBED Cn1nnc(CN[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)n1 968442074 NRAXVHJUFDDCGU-SNVBAGLBSA-N 300.326 -0.586 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCNC(=O)C1 968821524 XCOOHLBBJFRJFM-QNWHQSFQSA-N 318.377 -0.126 30 20 DBED C=CCn1cc(C(=O)N2CC[C@@H](N(C)[C@@H]3CCNC3=O)C2)nn1 972502442 WIZJBAKMIJHVTK-DGCLKSJQSA-N 318.381 -0.501 30 20 DBED C#CCN1C[C@H](NC(=O)Cn2ccc(O)nc2=O)C(C)(C)C1 974785245 UNLHGTLNBKTUEN-NSHDSACASA-N 304.350 -0.591 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)C[C@H]3CCCC(=O)N3)[C@H]2C1 976897887 VTGOWWVTHWTWLC-VINAVUOLSA-N 318.377 -0.222 30 20 DBED CC(=O)N1CC(C(=O)N(C)C[C@@H]2CCN2C(=O)[C@@H](C)C#N)C1 977652491 YLMOFGGMVNMICA-GWCFXTLKSA-N 306.366 -0.316 30 20 DBED Cc1c[nH]c(CC(N)=O)c1C(=O)NCC1[C@H]2CN(CC#N)C[C@H]12 978750742 YMVJUNWEVSSTPF-VXGBXAGGSA-N 315.377 -0.218 30 20 DBED C[C@@H](NCc1cn(C)nn1)[C@H]1CN(C(=O)C#CC2CC2)CCO1 979325612 CDHVJNVGYRCNTQ-IUODEOHRSA-N 317.393 -0.066 30 20 DBED Cc1cc(C)n(CC(=O)N2C[C@@H](NCC#N)C[C@@H]2C)c(=O)n1 989615349 PMWNLYPQBWMSAS-STQMWFEESA-N 303.366 -0.037 30 20 DBED C=CCn1cc(C(=O)N2CC(NC(=O)[C@@H]3C[C@H]3OCC)C2)nn1 990348710 ZXWDZXREDPMXOB-DGCLKSJQSA-N 319.365 -0.170 30 20 DBED O=C(Cn1ccnc1)N[C@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1O 991561284 CMBSYSFPCOMBIG-KBPBESRZSA-N 316.361 -0.626 30 20 DBED CCN1C[C@@H](C(=O)NC2CN(C(=O)C#CC3CC3)C2)CC1=O 993780005 JUMOYTOWTCFSMB-LBPRGKRZSA-N 303.362 -0.405 30 20 DBED C[C@@H](C(=O)NC1CN(C(=O)[C@H](C)C#N)C1)N1CCCCC1=O 993811691 MGSOEDXWNOMJIH-MNOVXSKESA-N 306.366 -0.126 30 20 DBED C=CCn1cc(C(=O)N[C@@H](C)C2CCN(CC(N)=O)CC2)nn1 997786284 CGSXHEMXNGFDCR-NSHDSACASA-N 320.397 -0.220 30 20 DBED C=CCN1CCC(CNC(=O)c2cn(C)c(=O)n(C)c2=O)CC1 1001905527 OUZRITGUNNPADA-UHFFFAOYSA-N 320.393 -0.288 30 20 DBED C[C@@H](NC(=O)c1cc(=O)n(C)o1)C1CN(C(=O)C#CC2CC2)C1 1005977000 DLVRYRGNIBSQSI-SNVBAGLBSA-N 317.345 -0.032 30 20 DBED Cn1nnc(CN2CCC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)n1 1007143462 MTIXKIOPEJMCNB-LLVKDONJSA-N 314.353 -0.196 30 20 DBED Cc1c(C(=O)NC2[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]23)nnn1C 1012904013 HKBXWLBAMASIRB-VXGBXAGGSA-N 313.361 -0.276 30 20 DBED O=C(Cn1ncnn1)N[C@H]1CCN(CC#Cc2ccccc2)C1 1014430633 SCFCROCPLKBUKH-HNNXBMFYSA-N 310.361 -0.085 30 20 DBED C#CCN[C@H]1CCN(C(=O)c2ccc(=O)n(CCOC)n2)C1 1019116665 KJMJFHZVLHCDNS-LBPRGKRZSA-N 304.350 -0.673 30 20 DBED C=C(C)CN[C@H]1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)C1 1019523404 XJPAQFZAVFCLCV-LBPRGKRZSA-N 306.366 -0.307 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@H](CN[C@@H]3CCNC3=O)C2)c1 1026759466 IKCFSNWTUMGHKY-ZYHUDNBSSA-N 301.350 -0.173 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2CCN(CC(=O)NC)C2)nn1 1028851386 NGULEUCRUXTSBL-LLVKDONJSA-N 306.370 -0.738 30 20 DBED C=CCCN1CC[C@@H](CNC(=O)[C@@H]2CCS(=O)(=O)N2)C1 1028992244 FAMKBJSCWYZYFX-RYUDHWBXSA-N 301.412 -0.308 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)c2nnn(C(C)(C)C)n2)C1 1035381049 CRWSHSPWBDVQDX-NSHDSACASA-N 306.370 -0.508 30 20 DBED C[C@H]1CN(C(=O)CCn2ncn(C)c2=O)CC[C@H]1NCC#N 1036115294 LLFLBURFNULMRI-NWDGAFQWSA-N 306.370 -0.678 30 20 DBED C=CCCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1cn(C)c(=O)nc1O 1037716279 NANMAGWPJLAGAY-ADEWGFFLSA-N 304.350 -0.136 30 20 DBED O=C(C#CC1CC1)NC[C@]1(O)CCN(C(=O)Cc2cnc[nH]2)C1 1039688341 FWLOHNFETRJINI-MRXNPFEDSA-N 316.361 -0.555 30 20 DBED Cn1ccc(C(=O)N2CC(O)(CNC(=O)CSCC#N)C2)c1 1041569328 TYIGVFDVGGUKHJ-UHFFFAOYSA-N 322.390 -0.415 30 20 DBED CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2ccc(C#N)[nH]2)C1 1041627180 LIFNSWDYDQQOBO-JTQLQIEISA-N 320.349 -0.386 30 20 DBED CCn1cc(C(=O)NCC2(O)CN(C(=O)C#CC3CC3)C2)cn1 1042166801 IUWIMRVKBAQQSP-UHFFFAOYSA-N 316.361 -0.381 30 20 DBED CN(C(=O)c1ccc(C#N)[nH]1)C1CN([C@H]2CCC(=O)NC2=O)C1 1042628343 GKCDLWOXILLZDR-LBPRGKRZSA-N 315.333 -0.552 30 20 DBED O=C(CCc1ncc[nH]1)NCC1(O)CN(C(=O)C#CC2CC2)C1 1042823618 JOTGILIBQKVYBJ-UHFFFAOYSA-N 316.361 -0.555 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)c2ccn(C)n2)C1 1042941572 OCYPKOMNJDYBKE-UHFFFAOYSA-N 304.350 -0.617 30 20 DBED CC(C)(C)C#CC(=O)NCC1(O)CN(C(=O)c2cncnc2)C1 1042966104 NUMFCBPXQFDXLQ-UHFFFAOYSA-N 316.361 -0.171 30 20 DBED C[C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1Nc1cnc(C#N)cn1 1043077284 UCKPABYLDZCVQR-MWLCHTKSSA-N 313.325 -0.706 30 20 DBED CCc1oncc1C(=O)NCC1(O)CN(C(=O)C#CC2CC2)C1 1043088029 FZIDBZCVUXFKPH-UHFFFAOYSA-N 317.345 -0.047 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)c2nc(C)c[nH]2)C1 1043224327 OWXAWOMIUUUXDT-UHFFFAOYSA-N 320.349 -0.939 30 20 DBED C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)c2cn3c(n2)CCC3)C1 1043259467 NHYDMLXCOHAARB-SNVBAGLBSA-N 317.349 -0.708 30 20 DBED C#CCOCCC(=O)N1CC(O)(CNC(=O)CC2(C)CC2)C1 1043935474 MQLFDVQLMJOJIA-UHFFFAOYSA-N 308.378 -0.094 30 20 DBED CCn1ccc(C(=O)N2CC(O)(CNC(=O)[C@H](C)C#N)C2)n1 1045552259 RQUFWEKYABTGRW-SNVBAGLBSA-N 305.338 -0.634 30 20 DBED C=CCN1CC[C@H](N2CCN(C(=O)[C@@H]3COCCN3C)CC2)C1 1046022638 VFARWLNZEUPPNU-HOTGVXAUSA-N 322.453 -0.279 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 1047468657 OLDPGLPVZHNYSK-AVGNSLFASA-N 319.365 -0.945 30 20 DBED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)C2(N3CCOCC3)CCC2)C1 1047580775 UOBNGWLCCXXNMH-GJZGRUSLSA-N 323.437 -0.069 30 20 DBED CN(C(=O)c1ccon1)[C@H]1CN(C(=O)CSCC#N)C[C@@H]1O 1048399961 SHADTTFPQGFZLW-QWRGUYRKSA-N 324.362 -0.425 30 20 DBED C=CCCn1cc(C(=O)NC[C@H]2COCCN2C[C@H](C)O)nn1 1051156799 YNEHWLOSBDKZJU-STQMWFEESA-N 323.397 -0.334 30 20 DBED C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1CNC(=O)c1nc[nH]n1 1052043932 GFDJPMPYPQOONT-NXEZZACHSA-N 322.394 -0.114 30 20 DBED C#CCCCC(=O)NC[C@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1C 1053172625 WPUNIWSQNJSXTC-NEPJUHHUSA-N 318.381 -0.162 30 20 DBED C#CCCN1CC2(CC[C@@H](CNC(=O)[C@@H]3CC(=O)N(C)C3)O2)C1 1053605931 DVOIVUAULVMUDD-KGLIPLIRSA-N 319.405 -0.162 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2CN(C(=O)c3nc[nH]n3)C[C@@H]2C1 1055338679 YXMCEQFSQZUJTF-SDDRHHMPSA-N 317.349 -0.627 30 20 DBED Cn1cc(C(=O)NC2[C@H]3CN(c4cncc(C#N)n4)C[C@H]23)cn1 1056135806 RSMXPYZIHBCLTH-RYUDHWBXSA-N 309.333 -0.054 30 20 DBED CN(c1ccc(C#N)nn1)[C@H]1CCN(C(=O)[C@@H]2COCCO2)C1 1056870102 XFAOPHFEJPRVLI-STQMWFEESA-N 317.349 -0.199 30 20 DBED CN(c1ccc(C#N)cn1)[C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 1057012723 NNQBXTAITOUHJV-NWDGAFQWSA-N 314.349 -0.328 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCN(CCO)C(=O)c1ccon1 1057093958 ZUWIHPOPPIHTRC-CQSZACIVSA-N 311.338 -0.448 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)Cc1cc[nH]n1 1057256396 DJUYNXCQYCWSCN-UHFFFAOYSA-N 306.366 -0.307 30 20 DBED C=CCO[C@H](C)C(=O)N(CCO)CCNC(=O)CSC 1057921763 ORQFYMWYWOCNIA-LLVKDONJSA-N 304.412 -0.122 30 20 DBED N#Cc1cnccc1N1CCC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1 1058231533 KASVORDFESLTCL-NEPJUHHUSA-N 314.349 -0.280 30 20 DBED N#Cc1ccc(N2CC[C@@H](NC(=O)[C@H]3COCCO3)C2)nn1 1058304602 GHAQWSUGAJDQHO-VXGBXAGGSA-N 303.322 -0.541 30 20 DBED CCN(C)C(C)(C)C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N 1058658449 CIQQOMKLGJFCBP-LBPRGKRZSA-N 312.414 -0.187 30 20 DBED N#Cc1c[nH]ccc1=N[C@H]1C[C@@H](NC(=O)c2c[nH]c(=O)cn2)C1 1059799175 ZXJFOZBKLISBQH-PHIMTYICSA-N 310.317 -0.169 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCC2(CC1)CN(C(=O)CC(N)=O)C2 1060957962 AUGACJAESZGZIB-OAHLLOKOSA-N 323.393 -0.360 30 20 DBED C=CCCC(=O)NC[C@H]1COCCN1C(=O)C(=O)NCC1CC1 1061411492 HCSGXGKOJBJBQC-ZDUSSCGKSA-N 323.393 -0.178 30 20 DBED C#CCNC(=O)CC(=O)NC[C@@H]1COCCN1C(=O)CCC 1061515983 QVMYZKDZSYMBFQ-GFCCVEGCSA-N 309.366 -0.730 30 20 DBED Cc1cc(=N[C@@H]2CCN(C(=O)C(N)=O)C[C@@H]2C)c(C#N)c[nH]1 1063792707 XPASYENGWMVJSK-JOYOIKCWSA-N 301.350 -0.182 30 20 DBED N#Cc1cncc(N2CC[C@H]3CCN(C(=O)C(N)=O)C[C@@H]32)n1 1064698967 KWDLCNBMWNQYGD-KOLCDFICSA-N 300.322 -0.739 30 20 DBED Cc1n[nH]cc1C(=O)N1CCO[C@H](CNC(=O)[C@H](C)C#N)C1 1065414432 ZTTBQSXFQKOJSC-MWLCHTKSSA-N 305.338 -0.165 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@H]1CN(C(=O)c2cnon2)CCO1 1065507655 QDSZBXJTYTYTRB-IINYFYTJSA-N 324.337 -0.646 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)c2csnn2)C1 1069989345 NQHRPSNEYDSILX-KOLCDFICSA-N 303.351 -0.582 30 20 DBED C#CCNC(=O)CC(=O)NC1(CNC(=O)CCC)CCOCC1 1070083137 ZBRPSZUNWDCANI-UHFFFAOYSA-N 323.393 -0.292 30 20 DBED C=CCN[C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@@H]1n1ccnn1 1070158965 ZCKLKLWXGRFQHO-MCIONIFRSA-N 304.398 -0.100 30 20 DBED C#CCCN1CCNC(=O)CCN(C(=O)[C@@H]2CCCN2C)CC1 1070946043 OTKCJDLPVUOJIR-HNNXBMFYSA-N 320.437 -0.246 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)[C@@H]2C[C@H](C)CO2)CC1 1070980924 AWYUQSZZCIAQHS-KBPBESRZSA-N 307.394 -0.305 30 20 DBED C[C@@H]1COCC[C@@H]1C(=O)N1CCC(=O)NCCN(CC#N)CC1 1070996393 RGARRPDOBIWRIQ-KGLIPLIRSA-N 322.409 -0.167 30 20 DBED C[C@H]1CN(C(=O)CSCC#N)C[C@H]1NC(=O)Cn1cncn1 1071658230 LUEOHLICYWZCRW-WDEREUQCSA-N 322.394 -0.502 30 20 DBED C=CCOCC(=O)N[C@H]1CN(C(=O)CS(C)(=O)=O)C[C@@H]1C 1071742089 SFMXTBNSZIGEMS-QWRGUYRKSA-N 318.395 -0.803 30 20 DBED C=CCOCC(=O)N[C@H]1CN(C(=O)c2cnnn2C)C[C@H]1C 1072007736 WFONCFVRIJFZTC-MNOVXSKESA-N 307.354 -0.406 30 20 DBED C=CCO[C@H](C)C(=O)NCC1(O)CCN(C(=O)COC)CC1 1074420387 DBLIVRSZJOVBNH-GFCCVEGCSA-N 314.382 -0.306 30 20 DBED C[C@@H](C#N)C(=O)NCC1(O)CCN(C(=O)CC2(O)CCC2)CC1 1074579734 SMVAWWUCGHXGKH-LBPRGKRZSA-N 323.393 -0.079 30 20 DBED COCCn1cc(C(=O)N2CC[C@H]3CN(CC#N)C[C@H]32)nn1 1075783577 CJNRIFVZGKSCSB-WCQYABFASA-N 304.354 -0.406 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2cn([C@H]3CCOC3)nc2C)C1 1076997010 ZDTRFOQJVBYJDB-NWANDNLSSA-N 318.377 -0.439 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC(=O)N(C(C)C)C2)C1 1077084020 MBNCEQUWWFZAAQ-MGPQQGTHSA-N 307.394 -0.572 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)c2ccc3c(c2)nnn3C)C1 1077234587 RFCPIWLPUUJXCX-UKRRQHHQSA-N 313.361 -0.234 30 20 DBED C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)c2ccc(C(N)=O)o2)C1 1077353278 CYAFPLWRHQUNLG-RKDXNWHRSA-N 313.741 -0.094 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(Cc2cnon2)C[C@H]1O 1077821970 QVFDRZONQFTIQO-DGAVXFQQSA-N 322.365 -0.288 30 20 DBED C=CCOCC(=O)N[C@@H](C)CCNC(=O)c1c[nH]c(=O)cn1 1078077109 KAQLAZVLAGQABH-JTQLQIEISA-N 308.338 -0.403 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)c2ccc(C(N)=O)cn2)C1 1078267008 OJEURWHVKOOGMY-CHWSQXEVSA-N 304.350 -0.469 30 20 DBED COCCC(=O)NC[C@@H]1CN(C(=O)CSCC#N)C[C@H]1O 1081146172 DRQQCGSUTFGXFN-GHMZBOCLSA-N 315.395 -0.785 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)Cn2ccnc2)C[C@H]1O 1081333701 WWCHDWGPGARJOX-CHWSQXEVSA-N 306.366 -0.215 30 20 DBED C#CCCCC(=O)N1C[C@H](CNC(=O)c2csnn2)[C@@H](O)C1 1081623049 GCAUHVOQUHCFDB-JQWIXIFHSA-N 322.390 -0.109 30 20 DBED C#CCCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)Cc2cnoc2)C1 1081676504 DXGLIOVIUHCYQR-ZIAGYGMSSA-N 319.361 -0.044 30 20 DBED C=CCOCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2cccnn2)C1 1081688932 YCVLXDAHDOUBKH-DGCLKSJQSA-N 320.349 -0.772 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CCCS1(=O)=O 1083280329 NWAWCNZGIOTPMB-YNEHKIRRSA-N 312.391 -0.892 30 20 DBED CN(C[C@H]1CCN1CC#N)C(=O)[C@H]1CCc2nnnn2CC1 1085828835 GKKNZMJZLMPKJH-NWDGAFQWSA-N 303.370 -0.318 30 20 DBED CC#CCN1C[C@@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)Cn2cnnn2)C1 1089770574 SVIJDTMTJYEILZ-XQLPTFJDSA-N 314.393 -0.135 30 20 DBED CC#CCN1CC[C@@H](NC(=O)CN2CCCCC2=O)[C@@H](O)C1 1090383766 CKUHDDPVLSXMIP-KGLIPLIRSA-N 307.394 -0.426 30 20 DBED N#CCN1CC[C@@H](NC(=O)c2ccnc3c2CC(=O)N3)[C@@H](O)C1 1090393383 KCYPCCITCJPRQI-NEPJUHHUSA-N 315.333 -0.735 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2cnn3cccnc23)[C@H](O)C1 1090483447 SFVSLSDPMKHTGB-ZIAGYGMSSA-N 313.361 -0.082 30 20 DBED N#CCN1CC[C@H](NC(=O)c2ccc3nnc(O)n3c2)[C@H](O)C1 1090636833 DACNUGAKXDMRSH-WDEREUQCSA-N 316.321 -0.877 30 20 DBED C=CCN1CC[C@H](NC(=O)c2ccnc3nc(C)nn23)[C@H](O)C1 1090724959 NTMMDPJAZKZTIV-WCQYABFASA-N 316.365 -0.216 30 20 DBED C[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1NC(=O)C1(C(N)=O)CC1 1090828312 SDVKDFDQDAEOIU-MWLCHTKSSA-N 314.349 -0.445 30 20 DBED CO[C@@H](C)C(=O)N[C@@H]1CN(c2cc(C)ncc2C#N)C[C@@H]1O 1091067971 VYHWPWKQDLXZSN-SUHUHFCYSA-N 304.350 -0.038 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 1091093235 TVPAIADDWYUHCP-XUJVJEKNSA-N 317.349 -0.659 30 20 DBED CCc1nc(C#N)cc(N2CC[C@@H](NC(=O)COC)[C@@H](O)C2)n1 1092126451 MTWGVTWBFQZNAH-NEPJUHHUSA-N 319.365 -0.387 30 20 DBED N#Cc1cccnc1NC1CC(CNC(=O)Cn2cnnn2)C1 1092186701 YWGSCJHTBZXSTK-UHFFFAOYSA-N 312.337 -0.053 30 20 DBED N#Cc1cnc(N2C[C@H]3C(NC(=O)CC(N)=O)[C@@H]3C2)c(F)c1 1093227591 BSJCPIGINYTKLT-RKDXNWHRSA-N 303.297 -0.481 30 20 DBED CC(C)(C(N)=O)C(=O)NC1[C@@H]2CN(c3nccnc3C#N)C[C@@H]12 1093316570 OMLYHGCVEISDBO-RKDXNWHRSA-N 314.349 -0.589 30 20 DBED COc1ccnc(O)c1C(=O)NCCN=c1cc[nH]c(C#N)n1 1093751475 HBPPUJXLQZVSRH-UHFFFAOYSA-N 314.305 -0.279 30 20 DBED CN1C(=O)CC[C@@H]1CC(=O)NCCNc1ccc(C#N)nn1 1094055730 LNCHSZWKKXGUKO-LLVKDONJSA-N 302.338 -0.113 30 20 DBED C#CCN1CC(n2cc(CNC(=O)[C@H]3CO[C@@H](C)C3)nn2)C1 1094301951 IMBRAVXXSJVURS-NWDGAFQWSA-N 303.366 -0.191 30 20 DBED Cc1n[nH]c(C)c1C(=O)NCc1cn(C2CN(CC#N)C2)nn1 1094327680 LUKZATRREGYFQD-UHFFFAOYSA-N 314.353 -0.072 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(CCCF)[C@H]2CS(=O)(=O)C[C@H]21 1094614486 HCWZOIJTZGVZNQ-SDDRHHMPSA-N 317.386 -0.185 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)[C@@H]3CC(=O)N(C)C3)CC2=O)C1 1094742233 PKRACRIYZLVNTG-NEPJUHHUSA-N 320.393 -0.948 30 20 DBED C=C(C)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cn1cnc(C(N)=O)n1 1095440188 ZPUVQWAMWBHUNU-WOPDTQHZSA-N 318.381 -0.325 30 20 DBED C#CCOCCC(=O)NCCCN(C)c1nccn2nnnc12 1095644396 UAKHNUHBZASRNG-UHFFFAOYSA-N 317.353 -0.498 30 20 DBED CCCC(=O)NCC(=O)N[C@H]1CCN(c2ccc(C#N)nn2)C1 1096327487 MUNCTEWXARLJIY-LBPRGKRZSA-N 316.365 -0.041 30 20 DBED Cc1cc(C#N)nc(N[C@@H](C)CNC(=O)C2CS(=O)(=O)C2)n1 1098070883 IOPOBOVYFAUBRO-VIFPVBQESA-N 323.378 -0.382 30 20 DBED C[C@@H](CNC(=O)[C@]1(C)CNC(=O)C1)Nc1cncc(C#N)n1 1098153716 XAUSNULWIOJONA-XPTSAGLGSA-N 302.338 -0.209 30 20 DBED COCC(=O)N[C@@H](C)C(=O)NC[C@@H](C)Nc1cnc(C#N)cn1 1098341735 FSIBRCCIRJUPPL-ZJUUUORDSA-N 320.353 -0.584 30 20 DBED C[C@@H](CNC(=O)[C@H]1CCC(=O)NC1)N=c1cc[nH]c(C#N)n1 1098397395 MNGDNBAXHCPDGT-UWVGGRQHSA-N 302.338 -0.787 30 20 DBED C=CCCCNCc1cn([C@H]2CCN(C(=O)C(N)=O)C2)nn1 1098711854 XYQNKQMTPYJIJJ-LBPRGKRZSA-N 306.370 -0.407 30 20 DBED Cn1nnc(CN2CC[C@H](NC(=O)C#CC(C)(C)C)[C@@H](O)C2)n1 1099829015 BVFNDKIDIVTJIW-RYUDHWBXSA-N 320.397 -0.689 30 20 DBED CCNC(=O)CCC(=O)NCCN(C)c1cncc(C#N)n1 1099963668 YAIZEVWRHXFPAU-UHFFFAOYSA-N 304.354 -0.183 30 20 DBED C#CCN1CC[C@H](NC(=O)c2cnn(CCOCC)c2)[C@@H](O)C1 1100050995 QHCLYYMWARYKNE-GJZGRUSLSA-N 320.393 -0.282 30 20 DBED CN(CCNC(=O)CCN1CCCC1=O)c1cnc(C#N)cn1 1100140051 AHUNKPSQJOQHED-UHFFFAOYSA-N 316.365 -0.087 30 20 DBED CCC(=O)N[C@H](C)C(=O)NCCN(C)c1cnc(C#N)cn1 1100376879 CWDYUHQORPLBDT-SNVBAGLBSA-N 304.354 -0.185 30 20 DBED N#CCNC(=O)CNC1CC(CNC(=O)CCc2cn[nH]c2)C1 1100745868 WCDUUSSDVXMFQN-UHFFFAOYSA-N 318.381 -0.534 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)CNc1nccnc1C#N 1104183978 SZBDOTDYJDCOKM-SCZZXKLOSA-N 303.326 -0.806 30 20 DBED CCOCC(=O)NC[C@H]1CN(c2cncc(C#N)n2)CCO1 1104280893 WUAYUJAXUIXUCN-LBPRGKRZSA-N 305.338 -0.294 30 20 DBED COC(=O)NCC(=O)N(C)[C@@H](C)CNc1ccc(C#N)nn1 1104475428 KLBZVBJBCZFGET-VIFPVBQESA-N 306.326 -0.037 30 20 DBED C=C(C)CNCc1cn(C2CN(C(=O)[C@@H](COC)OC)C2)nn1 1105324023 OTQFHVAAXXXEOJ-CQSZACIVSA-N 323.397 -0.012 30 20 DBED CC(=O)NCC(=O)NC[C@H](O)CNc1ncc(C#N)cc1F 1105712335 YQVWDKSYXBPAQH-JTQLQIEISA-N 309.301 -0.883 30 20 DBED CCCC(=O)NCC(=O)NC[C@@H](O)CNc1cnc(C#N)cn1 1105727412 NAIWQUMSRMQWPQ-NSHDSACASA-N 320.353 -0.846 30 20 DBED CCc1nc(C#N)cc(NC[C@@H](O)CNC(=O)[C@H](C)OC)n1 1105731629 DSYCWCJYFMZZPO-GXSJLCMTSA-N 307.354 -0.165 30 20 DBED CCn1ncc(C(=O)NC[C@H](O)CNc2nccnc2C#N)n1 1105822442 PZUVYOOALTYQSC-SECBINFHSA-N 316.325 -0.838 30 20 DBED COCC[C@H](C)C(=O)NC[C@@H](O)CNc1cncc(C#N)n1 1105860423 VYVARCUGSQLKAL-JQWIXIFHSA-N 307.354 -0.090 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@H]1C 1105941629 FMOUKVSZXSIYAU-RBSFLKMASA-N 320.437 -0.486 30 20 DBED Cc1conc1C(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1 1105954917 ISDCHMYWFYFSCK-VIFPVBQESA-N 302.294 -0.731 30 20 DBED C[C@H](CC(N)=O)C(=O)NC[C@@H](O)CNc1ccc(C#N)cn1 1106057578 CSCPKUUVYIREQA-KOLCDFICSA-N 305.338 -0.646 30 20 DBED N#Cc1cnc(NC[C@@H](O)CNC(=O)Cc2cnoc2)cn1 1106070000 HPHZGCDCIDDNLQ-LLVKDONJSA-N 302.294 -0.532 30 20 DBED C[C@@H]1CCCN1CC(=O)NC[C@H](O)CNc1ccc(C#N)nn1 1106107781 DPAYQAWKDIVZMZ-DGCLKSJQSA-N 318.381 -0.278 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@@H](C)[C@H](CNCc2nnnn2C)C1 1106112258 ZPRKQPKXQOCOPF-FRRDWIJNSA-N 320.397 -0.568 30 20 DBED C[C@@H](CCNc1cnc(C#N)cn1)NC(=O)Cn1cncn1 1106332995 GCTFMFKWXZZXTH-JTQLQIEISA-N 300.326 -0.053 30 20 DBED CCN(CCN=c1cc[nH]cc1C#N)C(=O)Cn1cnnn1 1106679199 DTHCAJAXLNLNNA-UHFFFAOYSA-N 300.326 -0.678 30 20 DBED CN1C[C@H](C(=O)NC/C=C/CNc2cnc(C#N)cn2)NC1=O 1107450269 CTRNAKZKZPKSSX-KXMPLOMGSA-N 315.337 -0.544 30 20 DBED N#Cc1nc(=NC/C=C\CNC(=O)[C@H]2CCC(=O)NC2)cc[nH]1 1107593379 WMBOWQWQNFYAEF-BVBSBALXSA-N 314.349 -0.619 30 20 DBED Cc1cc(=NC[C@@H](C)NC(=O)[C@@H]2CCC(=O)N2)c(C#N)c[nH]1 1107858559 HBRNBBVLARKMPR-PWSUYJOCSA-N 301.350 -0.121 30 20 DBED COCC#CCN1CC(N2C[C@@H](NC(=O)C3CC3)CC2=O)C1 1108493073 FTWUATPANFMPAM-ZDUSSCGKSA-N 305.378 -0.553 30 20 DBED C[C@@H](CNc1cnc(C#N)cn1)NC(=O)[C@]1(C)CCC(=O)N1 1108671221 JBUSFQPDYZOVQZ-XPTSAGLGSA-N 302.338 -0.066 30 20 DBED C=CCNC(=O)CN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1nc[nH]n1)C2 1108781455 VSLLKUYJUQWEMO-SRVKXCTJSA-N 318.381 -0.310 30 20 DBED C[C@@H](CN(C)c1ccnc(C#N)n1)NC(=O)[C@H]1CCCNC1=O 1109127892 BQPHDDAQXWAQKL-QWRGUYRKSA-N 316.365 -0.185 30 20 DBED N#Cc1ccc(NC2(CNC(=O)C(=O)NCC3CC3)CC2)nn1 1110209456 AMAMZBJUAPWUPI-UHFFFAOYSA-N 314.349 -0.065 30 20 DBED CN(C)CCC(=O)N(C)[C@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1111197651 KDZGPGYHPYFBMV-STQMWFEESA-N 318.381 -0.692 30 20 DBED N#Cc1nc(=NCCN(CCO)C(=O)[C@H]2CC23CC3)cc[nH]1 1111574062 MQOABSMOWFZWQF-LLVKDONJSA-N 301.350 -0.197 30 20 DBED C[C@@H]1C[C@H](NC(=O)CC(N)=O)CCN1c1ccnc(C#N)n1 1112460652 XNXJOSGNHWVNFX-NXEZZACHSA-N 302.338 -0.303 30 20 DBED CC(=O)NCC(=O)N[C@@H]1CCN(c2ccnc(C#N)n2)[C@H](C)C1 1112467863 UMMBOANMFZBIOI-ZYHUDNBSSA-N 316.365 -0.042 30 20 DBED CCN(CCC#N)C(=O)CN1CCN(C(=O)c2cc[nH]n2)CC1 1112620554 FZQFYVCYDDVRLW-UHFFFAOYSA-N 318.381 -0.070 30 20 DBED CC(=O)NCC(=O)NC[C@H]1CN(c2ncccc2C#N)C[C@H]1O 1112695577 WNUCUPCAMTWYLQ-QWHCGFSZSA-N 317.349 -0.997 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN(C(=O)c2cncnc2)CC1 1112784021 MKQRBTYONXKJCX-LBPRGKRZSA-N 303.366 -0.075 30 20 DBED CC#CCN1CCN(C(=O)[C@@H](C)NS(=O)(=O)CC)CC1 1112872517 SZADZBIVGOOWHM-GFCCVEGCSA-N 301.412 -0.518 30 20 DBED N#CCNC(=O)CN1CCN(C(=O)c2csc(O)n2)CC1 1113227040 VNBFOZUVMDOKOE-UHFFFAOYSA-N 309.351 -0.754 30 20 DBED CN1CC[C@@H](CC(=O)N2CCN(CC(=O)NCC#N)CC2)C1 1113538287 HPMXUSYPSAXFNF-ZDUSSCGKSA-N 307.398 -0.888 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)NC1[C@@H]2CN(CCCO)C[C@@H]12 1114934678 CGHOYHLZGFOWMW-MCIONIFRSA-N 309.410 -0.114 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)Cc3ncc[nH]3)[C@H]2C1 1115016355 UVHFVGWLVUCYCY-SRVKXCTJSA-N 315.377 -0.864 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)Cn3ccnc3)[C@H]2C1 1115341888 MGYFBZVPPHBFDG-AVGNSLFASA-N 315.377 -0.933 30 20 DBED C#CCCCCNC(=O)C(=O)N1CCC[C@@H](CNC(N)=O)C1 1117374791 HDXFCXVJPCGAAT-LBPRGKRZSA-N 308.382 -0.187 30 20 DBED CCOC[C@H]1CN(C(=O)C(=O)N2CCO[C@H](C#N)C2)CCO1 1118898474 MNRHWERUSWMDNE-VXGBXAGGSA-N 311.338 -0.999 30 20 DBED Cc1ncsc1C(=O)NC[C@@H](CO)N=c1cc[nH]c(C#N)n1 1121099213 FDHNRUHVMNDEKH-VIFPVBQESA-N 318.362 -0.262 30 20 DBED Cc1nsc(N[C@@H](CO)CNC(=O)c2cnon2)c1C#N 1121881253 CUDYFZWLBVPKTO-SSDOTTSWSA-N 308.323 -0.091 30 20 DBED CC(C)[C@H](C#N)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 1123642894 XJIDGHPRQMKHKP-LBPRGKRZSA-N 306.366 -0.172 30 20 DBED COCC[C@@H](C)C(=O)N(C)C[C@H](O)CN=c1cc[nH]c(C#N)n1 1124363928 AJLAUYPORDHWQC-VXGBXAGGSA-N 321.381 -0.326 30 20 DBED CCN(C)CCC(=O)N(C)C[C@@H](O)CNc1cncc(C#N)n1 1124492978 IUBLSLSBTOGEHF-ZDUSSCGKSA-N 320.397 -0.079 30 20 DBED CCN(C)CCC(=O)N(C)C[C@@H](O)CN=c1cc[nH]cc1C#N 1124493741 WUIWPMRXXLFXGL-AWEZNQCLSA-N 319.409 -0.052 30 20 DBED COCCN(CCNC(=O)c1cc[nH]n1)c1ccc(C#N)nn1 1126224175 KAOCDJNVQZUFKO-UHFFFAOYSA-N 315.337 -0.046 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CCCc2c[nH]nc21 1127352737 YBKYGZFLUPGHKT-WCQYABFASA-N 317.393 -0.327 30 20 DBED CCc1nccn1[C@@H](C)CC(=O)NCCNCC(=O)NCC#N 1127679241 KLKGSYOCKBZCOR-LBPRGKRZSA-N 320.397 -0.258 30 20 DBED C=CCCOCC(=O)N1C[C@H](n2ccnn2)[C@H](NCCOC)C1 1130148052 CXDKVZWEBQLIHM-KGLIPLIRSA-N 323.397 -0.141 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)CCCCNC(N)=O 1130976885 NMAAJICTPSGOOV-NSHDSACASA-N 313.402 -0.779 30 20 DBED C#CCNC(=O)CN1CC[C@]2(C1)CN(C(=O)COC)C[C@@H](C)O2 1131614844 BPOWNNVMVFWIBW-CJNGLKHVSA-N 323.393 -0.926 30 20 DBED C#CCCN1C[C@H](NC(=O)CCn2ncn(C)c2=O)CC[C@H]1C 1132199294 HHBJIOHZJQVEPW-ZIAGYGMSSA-N 319.409 -0.036 30 20 DBED C=CCN[C@H](C)C[C@@H](C)NC(=O)Cn1ccc(=O)n(C)c1=O 1134539795 FEZQUYUKZVHAOH-VXGBXAGGSA-N 308.382 -0.394 30 20 DBED C=CCNC(=O)CNCCNC(=O)c1ccc2cccnn12 1134930875 WFSDVVHEROTXHP-UHFFFAOYSA-N 301.350 -0.044 30 20 DBED C=CCn1cc(C(=O)NCCNCc2ncnn2CCF)nn1 1134980445 DTEXVHQDSVVCEG-UHFFFAOYSA-N 322.348 -0.455 30 20 DBED COCC#CCNCCNC(=O)CNC(=O)c1cscn1 1146918616 QBXODHHXHOARGW-UHFFFAOYSA-N 310.379 -0.772 30 20 DBED C=CCNC(=O)CN1CCC2(C1)CN(C(=O)[C@@H](C)NC(C)=O)C2 1146986974 YOGGRHCPIXKOAT-GFCCVEGCSA-N 322.409 -0.653 30 20 DBED C=CCNC(=O)CNCCNC(=O)CCOC1CCOCC1 1147201833 MWYGMDJNLAPFMW-UHFFFAOYSA-N 313.398 -0.420 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@H]1CCC[C@H](N(C)C)C1 1147826215 SKVOXQCFRXIKIA-KBPBESRZSA-N 308.426 -0.438 30 20 DBED N#CCNC(=O)CN1CCC2(C1)CN(C(=O)[C@@H]1[C@H]3COC[C@H]31)C2 1148095838 QGNQJZINSXSRRJ-IMRBUKKESA-N 318.377 -0.947 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC2(CN(C(=O)CCN(C)C)C2)C1 1148215648 DYZGNUSSHKNQAD-AWEZNQCLSA-N 320.437 -0.390 30 20 DBED C=C(Br)CN1CCCO[C@H](CNC(=O)C(N)=O)C1 1150212144 OTGDBTNDLCAJCU-SECBINFHSA-N 320.187 -0.413 30 20 DBED COCC#CCN1CCCO[C@@H](CNC(=O)c2ncccn2)C1 1150469319 FOHLDIKLZSKLQI-AWEZNQCLSA-N 318.377 -0.053 30 20 DBED C=CCOCC(=O)NCCCNCC(=O)NC(=O)NCC 1155724809 GQLGPFGURPFTKN-UHFFFAOYSA-N 300.359 -0.869 30 20 DBED C=C(C)CN(CC)C(=O)[C@H](C)NCCCNC(=O)CC(N)=O 1156029278 LWJMUHWBNGDOOC-LBPRGKRZSA-N 312.414 -0.229 30 20 DBED CNC(=O)NC(=O)[C@@H](C)NCCCNC(=O)c1cc(C#N)c[nH]1 1156296747 UQWBOSIHSSCEGT-SECBINFHSA-N 320.353 -0.560 30 20 DBED C#CCN1CC=C(CCNC(=O)c2cnc(O)n(C)c2=O)CC1 1160845460 LCMXYXDFSKJNRL-UHFFFAOYSA-N 316.361 -0.129 30 20 DBED C=C(Cl)CNCCCNC(=O)CN1CCN(C)C(=O)C1 1161394036 BNTCQQQCHGNQKQ-UHFFFAOYSA-N 302.806 -0.391 30 20 DBED C=CCN1CC[C@H](NCCCNC(=O)[C@@]2(C)CCNC2=O)C1=O 1166561230 XFHPYSMQEOMXQU-BLLLJJGKSA-N 322.409 -0.605 30 20 DBED C#CCNC(=O)[C@H](C)NCCCNC(=O)CN1CCC(C)(C)C1 1166736544 NMHDIFNTTNEFOL-AWEZNQCLSA-N 322.453 -0.048 30 20 DBED C#CCNC(=O)CNCCCNC(=O)CCc1cncc(F)c1 1177517583 VDWNAQXCRNFVIN-UHFFFAOYSA-N 320.368 -0.001 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](NCCNS(C)(=O)=O)[C@@H]1C 1178351671 VLHVEVIMAYVEJY-DCAQKATOSA-N 302.400 -0.726 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)c2ccn(C)n2)[C@H]1C 1180138494 GLRPEVCWUGNIHM-RYUDHWBXSA-N 305.382 -0.085 30 20 DBED CCS(=O)(=O)NCCCN[C@@H]1CCN(C(=O)[C@H](C)C#N)C1 1181651681 DZSDLAHWHOLDMU-VXGBXAGGSA-N 316.427 -0.334 30 20 DBED CCn1cc(C(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)cn1 1181709833 YUELTQLOAXEVQF-GFCCVEGCSA-N 304.354 -0.653 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)c2nccc(C)n2)C1 1182240410 MZNRVGLLRYRSHZ-GFCCVEGCSA-N 301.350 -0.661 30 20 DBED COc1cccnc1C(=O)N1CC[C@@H](NCC(=O)NCC#N)C1 1187384048 DEPLVRAOFBOWBM-LLVKDONJSA-N 317.349 -0.466 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)c2ccc(C(N)=O)nc2)C1 1188377022 TZQXDPQWFWZDSL-CYBMUJFWSA-N 316.361 -0.366 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H]2CCN(C(=O)CCN(C)C)[C@@H]2C1 1189062287 QKZIIMMUVGIABF-QLFBSQMISA-N 320.437 -0.391 30 20 DBED C=CCNC(=O)[C@@H](C)N(C)[C@H]1CCN(C(=O)Cn2nccn2)C1 1190382419 XYFDNSZJOHEDQG-OLZOCXBDSA-N 320.397 -0.499 30 20 DBED CC(C)NC(=O)CN(C)CC(=O)N1CC[C@H](N(C)CC#N)C1 1191143402 BISNLJUAJDPALS-ZDUSSCGKSA-N 309.414 -0.501 30 20 DBED C=CCCC(=O)N[C@@H]1CN(Cc2nnnn2C2CC2)C[C@H]1O 1191715171 RXBCQYYUWXGIMF-VXGBXAGGSA-N 306.370 -0.365 30 20 DBED C[C@H](C#N)C(=O)N[C@@H]1CN(Cc2ncnn2CCF)C[C@H]1O 1191854421 MLEUVYRTKLBNHO-GMTAPVOTSA-N 310.333 -0.931 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)CCc2ccn(C)n2)C1 1193415956 SSWHHWRRXZLYDT-HUUCEWRRSA-N 322.409 -0.283 30 20 DBED CCOCCNC(=O)CN1CCCN(C(=O)[C@H](C)C#N)CC1 1195315110 YPZJOWGOCONLJW-CYBMUJFWSA-N 310.398 -0.167 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCCN(Cc2nnnn2C)CC1 1195652017 FZRZATBVGGEAOP-CQSZACIVSA-N 308.386 -0.429 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)COC[C@@H](C)N2CCCC2)C1 1196299032 HOGPETXYZUOGNV-RBSFLKMASA-N 309.410 -0.718 30 20 DBED C#CCN1CCCN(C(=O)CS(=O)(=O)NC(C)(C)C)CC1 1198143388 YPNIVISFAVQHPF-UHFFFAOYSA-N 315.439 -0.128 30 20 DBED CNC(=O)CNC[C@@H]1CN(C(=O)C#CC(C)(C)C)CCCO1 1200469159 DRRGWJASNDFWBS-CYBMUJFWSA-N 309.410 -0.011 30 20 DBED C#CCNC[C@H]1CN(C(=O)C[C@H]2CCCC(=O)N2)CCCO1 1200929986 KDCXCEYLJGXQTO-KGLIPLIRSA-N 307.394 -0.115 30 20 DBED N#CCNC[C@@H]1CN(C(=O)CCN2CCCC2=O)CCCO1 1202089005 ZUPKTJHDXUBXOX-CYBMUJFWSA-N 308.382 -0.270 30 20 DBED C#CCNC(=O)CN[C@H]1CCCN(C(=O)[C@H]2CCCOC2)C1 1207636316 SHOGIJITHWJOOE-KBPBESRZSA-N 307.394 -0.257 30 20 DBED CC#CCN[C@H]1CCCN(C(=O)CCS(=O)(=O)N(C)C)C1 1211219474 NXFMXBUMEDCCGW-ZDUSSCGKSA-N 315.439 -0.128 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@@H](NCC(=O)NC2CC2)[C@H](C)C1 1214602668 WBHCLVLVNKOSRD-YRGRVCCFSA-N 307.394 -0.260 30 20 DBED C=CCNC(=O)CN[C@@H]1CN(C(=O)C(C)(C)NC(C)=O)C[C@H]1C 1215952686 CHCNMPVOIGEROB-DGCLKSJQSA-N 324.425 -0.360 30 20 DBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2sccc2C)C1 1219101747 LJIDUPFBXMHQBZ-NEPJUHHUSA-N 321.402 -0.419 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(Cc2nccn2C)C[C@@H]1O 1219527568 UVTYHUOKPAQWKN-XUJVJEKNSA-N 308.382 -0.592 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CN(Cc2ncnn2CCF)C[C@@H]1O 1219591619 MYEXVQMAEDQUNW-OLZOCXBDSA-N 321.356 -0.678 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)c2cnc(O)cc2C)C1 1220326819 JEVUJORVYLYYJY-KGLIPLIRSA-N 319.361 -0.480 30 20 DBED C=CCCCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCc3nncn3C2)C1 1221058490 SMNLALMSZZFSHH-MCIONIFRSA-N 319.409 -0.032 30 20 DBED CC(C)C#CC(=O)N1C[C@H]2CCN(CC(=O)NC(N)=O)C[C@H]21 1221530219 ZWEVFGVTXTXBPV-VXGBXAGGSA-N 306.366 -0.627 30 20 DBED C#CCO[C@H](C)C(=O)NC1CCN(Cc2cnn(C)n2)CC1 1227342205 KOVWMNXBSFMZHD-GFCCVEGCSA-N 305.382 -0.066 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CCN(CC(=O)NC(N)=O)CC1 1229270056 IOEVXWBBIXZACJ-NEPJUHHUSA-N 324.381 -0.647 30 20 DBED C=C(C)CN(CC)C(=O)C(=O)N1C[C@@H](O)C[C@H](C(=O)OC)C1 1261483708 BRXQNJVCABPCSC-RYUDHWBXSA-N 312.366 -0.207 30 20 DBED COC[C@H](CCO)NC(=O)C(=O)Nc1cc(C)nn1CCC#N 1319439061 MPCBWZPVGIQPIL-NSHDSACASA-N 323.353 -0.443 30 20 DBED C#CCOCCN(C)CC(=O)N(CC)[C@H]1CCS(=O)(=O)C1 1319554257 QUXKFMCRQHDZQI-ZDUSSCGKSA-N 316.423 -0.396 30 20 DBED C=C[C@@H](COC)NC(=O)CNS(=O)(=O)c1cn(C)cn1 1320606641 HVSKPUWTXFLACP-VIFPVBQESA-N 302.356 -0.984 30 20 DBED C#CCN(CC1CC1)C(=O)NCCNS(=O)(=O)NC(C)C 1320970282 KEFGGTVKWZMHCB-UHFFFAOYSA-N 316.427 -0.126 30 20 DBED C=CC[C@@H](CO)CNC(=O)c1cn(Cc2noc(C)n2)nn1 1321081994 XJDCEHQNNUTXSS-SNVBAGLBSA-N 306.326 -0.068 30 20 DBED C=CCS(=O)(=O)CCNC(=O)NCCn1cnc(C#N)n1 1322657993 FXSXOVLIVIVCPA-UHFFFAOYSA-N 312.355 -0.950 30 20 DBED C=C(C)Cn1c(COC)nnc1N(C)CCNS(C)(=O)=O 1322758190 XIMZYZJINGZUAM-UHFFFAOYSA-N 317.415 -0.014 30 20 DBED COCCO[C@@H]1COCC[C@H]1NC(=O)C(=O)NCCCC#N 1323341813 BUZNYXIQTYHHEK-VXGBXAGGSA-N 313.354 -0.657 30 20 DBED COC[C@](C)(C#N)NC(=O)c1nnn(-c2ccn(C)n2)c1C 1324532376 KTOFFHWYVDISLD-ZDUSSCGKSA-N 303.326 -0.032 30 20 DBED N#CC[C@]1(O)CCN(C(=O)C(=O)NCCc2ccncc2)C1 1326066318 YSZVXIJZRORFOC-HNNXBMFYSA-N 302.334 -0.383 30 20 DBED C#CCCCCNC(=O)C(=O)N1CCN(c2cnn(C)c2)CC1 1326755696 BWHKVJMLSJRSSO-UHFFFAOYSA-N 317.393 -0.012 30 20 DBED C#C[C@H](NC(=O)C(=O)NC[C@@H](C)CC(=O)OCC)[C@@H]1CCCO1 1327383745 SEMZGEGFSNZUHW-AVGNSLFASA-N 324.377 -0.011 30 20 DBED C#CCOCCNC(=O)C(=O)N(C)[C@H](CO)Cc1ccccc1 1328959414 NPEPXIKPUZDGPH-HNNXBMFYSA-N 318.373 -0.186 30 20 DBED CN(C)C(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1cnn(CC#N)c1 1331769102 ASHMGYQBQMWJEI-NSHDSACASA-N 318.337 -0.576 30 20 DBED C=CCN(C(=O)C(=O)N1C[C@@H](O)C[C@H](C(=O)OC)C1)C(C)C 1332355973 MCFOSFPQVPSTQP-RYUDHWBXSA-N 312.366 -0.208 30 20 DBED C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H](C#N)C2)C[C@@H](C)N1CCO 1335685945 GRRNVVDLNIPPSX-MJBXVCDLSA-N 322.409 -0.338 30 20 DBED C=CCN(C)c1nnnn1CCC(=O)N1CCN(C(C)=O)CC1 1337397392 OHQYHTPIQLUAOU-UHFFFAOYSA-N 321.385 -0.624 30 20 DBED Cc1nc2n(n1)CCN(C(=O)C(=O)N1CCC[C@H](C#N)C1)C2 1338036728 KAXIXIIVDFASHL-LLVKDONJSA-N 302.338 -0.309 30 20 DBED C=CCN1CCC(NC(=O)C(=O)NC2CCN(C)CC2)CC1 1340213109 KMAQSXFIKDJFFZ-UHFFFAOYSA-N 308.426 -0.037 30 20 DBED COCC#CC(=O)NC[C@@H]1CCC[C@H]1NC(=O)C#CCOC 1347561710 VAQUQXWOXJDOPU-UONOGXRCSA-N 306.362 -0.313 30 20 DBED CC1(C)C[C@H](O)CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)C1 1363233600 ROYYCZOKWOFXJS-LLVKDONJSA-N 320.349 -0.170 30 20 DBED N#Cc1ncn(CC(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)n1 1364354754 DAISKOKTBHUWSX-LLVKDONJSA-N 318.337 -0.954 30 20 DBED N#Cc1ccc(CNC(=O)N2CCC(O)(C(N)=O)CC2)nc1 1370624649 VQEHRNXKKJERFC-UHFFFAOYSA-N 303.322 -0.525 30 20 DBED C=C(Cl)CN[C@@H](C)CCNC(=O)CN1CCNC(=O)C1 1371809806 OLRTVJUFCHWHRV-NSHDSACASA-N 302.806 -0.345 30 20 DBED C=C(Cl)CN1CC(O)(CNC(=O)[C@H](C)NC(=O)CC)C1 1376174021 MGMVJBMXDSMYCJ-JTQLQIEISA-N 303.790 -0.184 30 20 DBED C=C(Cl)CN1CC(O)(CNC(=O)c2cn(C)c(=O)n2C)C1 1376305258 JFDKPQDDVQDTLD-UHFFFAOYSA-N 314.773 -0.747 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NCC(=O)N2CCOCC2)CCC1 1393534245 NAWBYJRAZZDEOU-LBPRGKRZSA-N 308.382 -0.367 30 20 DBED C[C@@H](C#N)C(=O)NCCN(C(=O)c1c[nH]c(C(N)=O)c1)C1CC1 1398368508 SXQOOHYALUEABR-VIFPVBQESA-N 317.349 -0.006 30 20 DBED CCN(CCC#N)C(=O)CN1CC(NC(=O)c2cncnc2)C1 1404753292 VAWCXDCUNDXGKM-UHFFFAOYSA-N 316.365 -0.347 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H](O)CNC(=O)[C@@H]2CCOC2)c1 1410075325 FNFTZDOYQCTDQR-GHMZBOCLSA-N 306.322 -0.870 30 20 DBED C[C@@H](CNC(=O)c1cnn[nH]1)N(C)C(=O)c1cc(C#N)c[nH]1 1411604726 OJLIEERZYIUDEP-QMMMGPOBSA-N 301.310 -0.105 30 20 DBED CC[C@H]1CN(C(=O)CCn2cc(C#N)c(O)nc2=O)CCO1 1411613102 MKQJZKUBYNDOCO-NSHDSACASA-N 306.322 -0.152 30 20 DBED COCCc1noc(CN2CC(CNC(=O)[C@H](C)C#N)C2)n1 1421130826 JKEKAAIJMWILKV-SNVBAGLBSA-N 307.354 -0.034 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)Cn2ncnn2)CCCC1 1430770244 RJOFQOQNRDAVAI-SNVBAGLBSA-N 305.342 -0.622 30 20 DBED CC[C@@H](CNC(=O)c1cc(C(N)=O)ccn1)NC(=O)[C@H](C)C#N 1432754440 UXZCYDITFGCJAT-KOLCDFICSA-N 317.349 -0.035 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CN(C)C(=O)c1ccnc(O)c1 1444627548 NMICBPIBCFGNHT-MWLCHTKSSA-N 306.322 -0.504 30 20 DBED COCC(=O)N(C)CC(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H](C)C#N)C1 1445954243 HRPXLHFOBUFQJI-SDDRHHMPSA-N 324.381 -0.738 30 20 DBED CCN(CCNC(=O)[C@@H](C)NC(C)=O)C(=O)c1ccc(C#N)[nH]1 1449298801 KSUBOLPHOWSTTM-SNVBAGLBSA-N 319.365 -0.011 30 20 DBED CCCS(=O)(=O)CC(=O)NC[C@H](C)CNC(=O)[C@H](C)C#N 1451595125 YTFARVWALLVRJG-WDEREUQCSA-N 317.411 -0.161 30 20 DBED C[C@@H](C#N)C(=O)NCCN1CCN(C(=O)COCC2CC2)CC1 1453947717 MQMFBWPYPUQCHF-ZDUSSCGKSA-N 322.409 -0.167 30 20 DBED CCOc1ccc(C(=O)NC[C@@H](O)CNC(=O)[C@H](C)C#N)cn1 1457995505 GLVOKSDOTNISCP-PWSUYJOCSA-N 320.349 -0.153 30 20 DBED CCOCC(=O)N[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1OC 1489503674 XUGDBLJUQRWYLK-CHWSQXEVSA-N 320.349 -0.122 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CCN(C(=O)c2c[nH]c(C(N)=O)c2)C1 1523106023 NZVBTYJJKKCHJY-KOLCDFICSA-N 317.349 -0.054 30 20 DBED CCCN(CCNC(=O)CNC(C)=O)C(=O)c1ccc(C#N)[nH]1 1529459073 IZZBCDNYKACHBB-UHFFFAOYSA-N 319.365 -0.009 30 20 DBED N#Cc1ccc(NCC(=O)N[C@H]2CN(C(=O)O)C[C@H]2CO)nc1 1574249600 KASLDUKIYJOREA-QWRGUYRKSA-N 319.321 -0.548 30 20 DBED C#C[C@H](CO)NC(=O)c1nnn(C2CCNCC2)c1C(F)F 1574487083 ZIKSMCFHBSOJQH-MRVPVSSYSA-N 313.308 -0.136 30 20 DBED C[C@H](C#N)C(=O)N1C[C@@H](NCC(=O)NCc2cnn[nH]2)[C@H](C)C1 1575177347 KONNRQXAHPJJGW-CKYFFXLPSA-N 319.369 -0.983 30 20 DBED COCCOCCOCCN(C)C(=O)N[C@H]1CNC[C@H]1C#N 1579058995 NLKMNLQCPUPENF-OLZOCXBDSA-N 314.386 -0.581 30 20 DBED COC[C@@]1(C)CN(c2cnc(-c3nn[nH]n3)c(C#N)n2)CCO1 1579739646 FGERBGPSWGFEGI-CYBMUJFWSA-N 316.325 -0.230 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@@H](N3C(=O)O[C@H]4CNC[C@H]43)C2)c1 1580062335 WUJXHMHBZGVKLP-RTXFEEFZSA-N 315.333 -0.107 30 20 DBED C#C[C@@H](CO)NS(=O)(=O)Cc1cccc(-c2nn[nH]n2)c1 1588327527 KUTPOUDIQBHPJX-NSHDSACASA-N 307.335 -0.720 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)O)C1)[C@H]1CCCO1 1588370633 JGVTURXKWBGGHW-WZIZPHDVSA-N 320.345 -0.347 30 20 DBED N#CCNC[C@@H]1CCCN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1 1592678685 JPOOHAGVJJOLCJ-JTQLQIEISA-N 300.326 -0.087 30 20 DBED CCOC[C@H](C(=O)O)N(C)S(=O)(=O)N(C)C[C@H](C)C#N 1596885015 WHCSOAWCEISOBV-NXEZZACHSA-N 307.372 -0.256 30 20 DBED C[C@H]1CN(C(=O)C(=O)Nc2cccc(C#N)n2)C[C@@H](C(=O)O)O1 1599913137 FCUWOYWONVIONV-WPRPVWTQSA-N 318.289 -0.408 30 20 DBED Cc1cc(=NC[C@]2(C(=O)O)C[C@@H]2S(C)(=O)=O)c(C#N)c[nH]1 1600280375 JIHCAYALHKVETL-WCQYABFASA-N 309.347 -0.017 30 20 DBED C#CCCN1CCN(C(=O)CN2CCC[C@@H](C(=O)O)C2=O)CC1 1602708410 QIOKOUDTAUNVRI-CYBMUJFWSA-N 321.377 -0.523 30 20 DBED C#CCN1CCO[C@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1602722285 KFBJWRITCIFZLL-LLVKDONJSA-N 315.337 -0.741 30 20 DBED C=C[C@@H]1OCC[C@H]1NS(=O)(=O)c1ccc(-c2nn[nH]n2)nc1 1602888080 LJPDEPAUFHIWNY-KOLCDFICSA-N 322.350 -0.117 30 20 DBED C=CCOCC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3C[C@@H]3C(=O)O)C[C@@H]2C1 1602906740 MERMAQUGRHVSOJ-XQHKEYJVSA-N 322.361 -0.174 30 20 DBED NC(=O)c1ccc(NN=C2CCN(CCC(=O)O)CC2)nn1 1608244408 AGHSVJNGDXDSRJ-UHFFFAOYSA-N 306.326 -0.086 30 20 DBED CCN(C[C@H](C)C#N)C(=O)Cn1cnc(-c2nn[nH]n2)c1C#N 1609221472 CVEJEJXTFPAPIY-SECBINFHSA-N 313.325 -0.057 30 20 DBED N#Cc1ccc(CS(=O)(=O)CC(=O)NCc2nc[nH]n2)cc1 1645660153 DUPBTKWVVIESMQ-UHFFFAOYSA-N 319.346 -0.092 30 20 DBED C[C@H](OC(=O)C(C)(C)C#N)C(=O)N[C@H]1CCS(=O)(=O)C1 1647162663 GTKUWFRQHLUEDD-IUCAKERBSA-N 302.352 -0.229 30 20 DBED C#CCNC(=O)CNC[C@@H]1CCCCN1C(=O)[C@@H]1CCCO1 1661900335 KEKUCNILKFWPAT-KBPBESRZSA-N 307.394 -0.115 30 20 DBED C#CCNC(=O)CNC[C@@]1(C)CCN(C(=O)[C@@H](CC)N(C)C)C1 1671753272 OFCSHDGXNKNSRK-RHSMWYFYSA-N 322.453 -0.096 30 20 DBED C=CCCN[C@H]1CCN(C(=O)C2(n3cnnn3)CCOCC2)C1 1690248555 HAAONGSPVWPXOP-ZDUSSCGKSA-N 320.397 -0.055 30 20 DBED C#CCNC[C@H]1CCCN1C(=O)[C@H](C)NS(=O)(=O)CC 1715209079 GOZKSZZJYWNOQO-NWDGAFQWSA-N 301.412 -0.472 30 20 DBED COCC#CCNC[C@@H]1CCCN(C(=O)[C@H]2CCNC2=O)C1 1752803744 AIRMRGKJLITQMF-KBPBESRZSA-N 307.394 -0.400 30 20 DBED C#CCNC(=O)CN[C@@H](C)C1CCN(C(=O)CCOC)CC1 1753270946 LWYQWTBJONQJQC-ZDUSSCGKSA-N 309.410 -0.011 30 20 DBED C#CCOCCC(=O)NCC1CN(Cc2nc(N(C)C)no2)C1 1753403234 QOOMRLBJMQIDSZ-UHFFFAOYSA-N 321.381 -0.277 30 20 DBED CNC(=O)NC(=O)[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)C#CC1CC1 1753420535 BGQOPTZJBHUNBM-DRZSPHRISA-N 318.377 -0.471 30 20 DBED C#CCNC(=O)CN[C@H]1CC[C@H](NC(=O)[C@H](C)NC(C)=O)CC1 1753579790 MVJMPOHOZIRNBT-UBHSHLNASA-N 322.409 -0.723 30 20 DBED CC#CCNC[C@@H]1[C@@H](C)CCCN1C(=O)CS(=O)(=O)NC 1753811832 AZBSGBKBHCEJBJ-QWHCGFSZSA-N 315.439 -0.224 30 20 DBED C#CCNC(=O)CNC[C@@H](C)NC(=O)COc1ccsc1 1754250033 ZKKGWEXTIKYWRS-LLVKDONJSA-N 309.391 -0.029 30 20 DBED C[C@@H](C#N)C(=O)N(C)C1CN(CCN2C(=O)NC(C)(C)C2=O)C1 1754572446 DLZIMJZGZZTXLN-JTQLQIEISA-N 321.381 -0.381 30 20 DBED C#CCO[C@H](C)C(=O)N(C)C1CN(C[C@H]2CCc3ncnn32)C1 1754575167 NLNUTMKRDLIGJY-CHWSQXEVSA-N 317.393 -0.054 30 20 DBED C#CCNC(=O)CNC[C@@]1(C)CCN(C(=O)[C@H](C)NC(C)=O)C1 1754688397 UUAWBPBWKUICSN-BLLLJJGKSA-N 322.409 -0.911 30 20 DBED C=CCNC(=O)CN1CC[C@](O)(CNC(=O)C[C@H](C)OC)C1 1754746676 XWSDNDDWUOXDTF-WFASDCNBSA-N 313.398 -0.733 30 20 DBED C#CCCN1CC[C@](O)(CNC(=O)[C@]2(C)CCN(C(C)=O)C2)C1 1754761544 YTNFLXTVHPFWIX-SJORKVTESA-N 321.421 -0.179 30 20 DBED COCC#CCN1CCOC[C@H]1CNC(=O)c1n[nH]cc1C 1754968225 ZEVXPRKIIARLRV-CYBMUJFWSA-N 306.366 -0.201 30 20 DBED CC(=O)N1CC[C@@](C)(C(=O)N2CCO[C@H](CNCC#N)C2)C1 1755011730 BMPDBJBUCVOWQQ-UKRRQHHQSA-N 308.382 -0.415 30 20 DBED Cn1ccc(C(=O)N[C@@H]2CCCN(CC(=O)NCC#N)CC2)n1 1755034524 SOGVNPFIPRTAFR-GFCCVEGCSA-N 318.381 -0.356 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)CCCN(C)[C@@H](C)C(=O)NC 1755039343 PQKCZPQGIMTFAM-GJZGRUSLSA-N 322.453 -0.001 30 20 DBED C=CCNCC1CC(NC(=O)CCc2nnc(O)nc2O)C1 1755214538 ALYDJMFMJKUPRZ-UHFFFAOYSA-N 307.354 -0.114 30 20 DBED COCC#CCN[C@H](C)[C@H](C)NC(=O)c1cn(C)c(=O)n1C 1755268433 GCFVXSKHSJUIFM-NEPJUHHUSA-N 308.382 -0.530 30 20 DBED C#CCN[C@@H](CCN(C)C(=O)[C@@H]1CCS(=O)(=O)N1)C(C)C 1755343054 PORUROWQHMNWMX-STQMWFEESA-N 315.439 -0.226 30 20 DBED C#CCNC(=O)CNC[C@H]1C[C@H](NC(=O)c2cnsn2)C1 1755466226 MNMVTKBDKXSPQS-MGCOHNPYSA-N 307.379 -0.615 30 20 DBED C#CCNC(=O)[C@H](C)N[C@H](CO)CNC(=O)c1ncoc1CC 1755626271 CIGVAWMKRVQKRK-QWRGUYRKSA-N 322.365 -0.945 30 20 DBED C#CCCN[C@@H]1CN(C(=O)CS(=O)(=O)NC)CC1(C)C 1755766855 SLTWIUVWDVJNQJ-LLVKDONJSA-N 301.412 -0.615 30 20 DBED CCCn1cc(C(=O)N(C)C[C@@H](O)CNCC#CCOC)nn1 1755792472 WOJIVXGRNDTYAI-ZDUSSCGKSA-N 323.397 -0.640 30 20 DBED CC(=O)N1CC(C(=O)N[C@H](C)[C@H](C)NC(=O)C#CC2CC2)C1 1755963556 AYMOHWRWZSUXOF-WDEREUQCSA-N 305.378 -0.113 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@@H](C)N(C)C(=O)CCn1ccnn1 1756026143 AMVKAMWKRBPHMF-OLZOCXBDSA-N 321.381 -0.330 30 20 DBED C=CCOCC(=O)N1C[C@H]2CC[C@H]1CN2C(=O)[C@@H](C)CC(N)=O 1756164060 YEDOOMSBBDAJLV-RWMBFGLXSA-N 323.393 -0.098 30 20 DBED C=C(C)C[C@@H](C)C(=O)N[C@@H](CO)CNC(=O)CS(C)(=O)=O 1756507438 CCVAUXUSYOADIC-GHMZBOCLSA-N 320.411 -0.773 30 20 DBED O=C(C#CC1CC1)NC[C@@H](CO)NC(=O)CCc1ncccn1 1756519334 FUBZWTNYFOMLRL-ZDUSSCGKSA-N 316.361 -0.584 30 20 DBED CC#CCCCC(=O)N[C@@H]1CN(C(=O)[C@@]23COC[C@@H]2C3)C[C@H]1O 1757025590 ASCCAWUYCRFUJJ-CFAJVAMVSA-N 320.389 -0.096 30 20 DBED C=CCOCC(=O)N1CC[C@@H]1CN(C)C(=O)CNC(=O)OC 1757276196 JZLJZMJPODIGSY-LLVKDONJSA-N 313.354 -0.396 30 20 DBED Cn1c([C@@H]2C[C@@H]2C#N)nnc1N1CCC[C@@H](NS(C)(=O)=O)C1 1772381840 NZLFAKNAJFJKHF-GMTAPVOTSA-N 324.410 -0.040 30 20 DBED O=C(O)Cn1cc(C=Nn2c(S)nnc2[C@H]2CCCO2)nn1 1776023296 XPAIMQYSGWBWHI-MRVPVSSYSA-N 323.338 -0.023 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)NC[C@]1(C(=O)O)CCCOC1 1776398547 OBVFQSPEBPDCJW-ZYHUDNBSSA-N 319.383 -0.064 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(C)[nH]n1)CCO2 1783055245 VMMGSVNSQPWQKP-OAHLLOKOSA-N 302.334 -0.205 30 20 DBED N#CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ncon3)[C@H]2C1 1789085989 SOLBLGVWWCVDQQ-DCAQKATOSA-N 319.321 -0.423 30 20 DBED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COCCOC)C[C@@H]21 1790790563 LTYKPFFRNYEITO-IHRRRGAJSA-N 324.377 -0.738 30 20 DBED N#CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](N)CCC(N)=O 1795976372 QXWLVMSFDOOFTB-USZNOCQGSA-N 321.381 -0.869 30 20 DBED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc[nH]1)CCO2 1834106280 NXUSXFVJZGWGEN-OAHLLOKOSA-N 318.333 -0.887 30 20 DBED C=CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)C(=O)N(C)C)C2 1841608399 PWRQDSNYTPEZCR-LBPRGKRZSA-N 323.393 -0.131 30 20 DBED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)c1cnc[nH]1)C2 1846194894 BYLPPBHFRIYIBF-UHFFFAOYSA-N 302.290 -0.685 30 20 DBED C=CCNC(=O)NC(=O)COC(=O)C(=O)c1c(C)nn(C)c1C 26458980 GELXFPOERUWUCM-UHFFFAOYSA-N 322.321 -0.225 30 20 DBED C[C@H](C#N)CN(C)C(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 69262199 SEALRFMTGFRGTL-KGLIPLIRSA-N 322.409 -0.215 30 20 DBED C#CCN1CCN(C(=O)CS[C@@H]2CCS(=O)(=O)C2)CC1 128387668 XSKHIEXWFFOVND-GFCCVEGCSA-N 316.448 -0.316 30 20 DBED CC[C@H](CC#N)NC(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1 183969945 GTNMCRDCZSSNSJ-VHSXEESVSA-N 313.383 -0.105 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@](C)(CN)C2CC2)C1=O 262603005 AMMMDFVYZMMQCV-AWEZNQCLSA-N 308.338 -0.793 30 20 DBED N#Cc1cc(F)ccc1S(=O)(=O)N1C[C@H](O)C[C@@H]1C(=O)O 275269118 JRRDKXHKYUKLAV-NXEZZACHSA-N 314.294 -0.094 30 20 DBED C#CCn1ccc(CN(CC)C(=O)Cn2ncn(C)c2=O)n1 279068736 FZGDLDXLITWTRJ-UHFFFAOYSA-N 302.338 -0.540 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCCO[C@@H](CC)C2)C1=O 281610171 WRMLCDRDKJMKLK-NSHDSACASA-N 323.349 -0.009 30 20 DBED CO/N=C/C(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F 286613757 YJZURHYLAJMYCF-JSTDCQMXSA-N 305.278 -0.443 30 20 DBED C=C[C@H](CO)NS(=O)(=O)c1ccccc1S(=O)(=O)NC 290052183 BKRJLTRYNGBZKN-SECBINFHSA-N 320.392 -0.580 30 20 DBED N#Cc1ccc(OC[C@@H](O)CNCC(=O)N2CCOCC2)cc1 322533435 MWYTVIBHGIOGJR-AWEZNQCLSA-N 319.361 -0.254 30 20 DBED CS(=O)(=O)N1CCC[C@H](N/C(O)=N/C[C@H]2COCCO2)C1 328678334 MLMYYEFTEMGNEN-QWRGUYRKSA-N 321.399 -0.671 30 20 DBED CC1(C#N)CN(C(=O)[C@@H]2CC[C@H](C(=O)N3CCOCC3)O2)C1 329343690 QFXGNVUOKNAJTH-NEPJUHHUSA-N 307.350 -0.235 30 20 DBED Cc1cc(C)n(C/C(O)=N/CCN2C(=O)CCC2=O)c(=O)n1 329817076 OHLQHZOLQWIBGO-UHFFFAOYSA-N 306.322 -0.034 30 20 DBED C/N=C(/O)N1CCN(C(=O)[C@@H]2CCCCS2(=O)=O)CC1 329948815 LACCZRWDIAZLJH-JTQLQIEISA-N 303.384 -0.358 30 20 DBED CCN1CCCN(S(=O)(=O)N2CCO[C@H](C#N)C2)CC1 337054486 AJQKHBROIQHESO-GFCCVEGCSA-N 302.400 -0.517 30 20 DBED CCN(CCNS(=O)(=O)N1CCO[C@@H](C#N)C1)C1CC1 337103383 XXWDUDAYBOCRRY-LBPRGKRZSA-N 302.400 -0.471 30 20 DBED CC[C@]1(CO)CCCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)C1 337161940 VDFOTYIOSOFRKY-STQMWFEESA-N 317.411 -0.060 30 20 DBED C=CC[C@H](CO)CNC(=O)C(=O)Nc1ccn(CCN(C)C)n1 341427575 BPBFAFFYBWNASB-LBPRGKRZSA-N 323.397 -0.316 30 20 DBED O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NCC#CCO 352185551 DHLATTJGAZTSCE-UHFFFAOYSA-N 319.273 -0.568 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H](COC)C2)C1=O 353944945 YCZANQGAJLMASK-NSHDSACASA-N 323.349 -0.152 30 20 DBED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CC[C@](C)(O)C2)n1 359362530 OTWBMWKROCEUPE-AWEZNQCLSA-N 305.338 0.257 30 20 DBED C[C@@H]1CN(S(=O)(=O)N(C)CCC#N)C[C@]2(CCOC2)O1 408340038 MYJPQUGBVRXJAX-NEPJUHHUSA-N 303.384 -0.044 30 20 DBED CC(=O)N1CCN(C(=O)[C@H](C)n2cccc(C#N)c2=O)CC1 408364972 DCWAUKDTJFOJLP-NSHDSACASA-N 302.334 -0.028 30 20 DBED C=CCCn1cc(C(=O)NCCC(=O)N2CCOCC2)nn1 424579542 YYZDNYHNWGXYPT-UHFFFAOYSA-N 307.354 -0.167 30 20 DBED CN(C[C@H](O)CO)C(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 441760486 LNGNAHLUPQPNAV-JTQLQIEISA-N 311.725 -0.038 30 20 DBED C#CCN1CCC[C@@H]1COC(=O)Cn1ccc(=O)n(C)c1=O 490875122 OOINXNFVVWRVHR-GFCCVEGCSA-N 305.334 -0.812 30 20 DBED C#CCNC(=O)C1CCN(CC(=O)NC(=O)NCC(C)C)CC1 491099394 AWEWLRMJSGAVEC-UHFFFAOYSA-N 322.409 -0.070 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NC(C)(C)c2ncc[nH]2)C1=O 521257896 RIXBJFFNIUUWSB-UHFFFAOYSA-N 319.321 -0.262 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N[C@@H]2Cc3cccc(O)c3C2)CCO1 558591386 BEUQNJUVPQIYRI-VXGBXAGGSA-N 323.374 -0.082 30 20 DBED CCNCCCNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 564982545 VDYBUXFROJZMOQ-UHFFFAOYSA-N 324.406 -0.048 30 20 DBED N#C[C@@H]1CSCCN1C(=O)Cn1nc2n(c1=O)CCCC2 593115631 HITKFKOOYNUMCD-SNVBAGLBSA-N 307.379 -0.151 30 20 DBED CN1C[C@@H](C(=O)N2CCN(c3ncccc3C#N)CC2)NC1=O 596695019 RTNHGJPRAZYXLR-LBPRGKRZSA-N 314.349 -0.375 30 20 DBED N#CCCN1CCN(C(=O)NCC(=O)NCC(F)(F)F)CC1 601561277 RCMGPFYALXMFHQ-UHFFFAOYSA-N 321.303 -0.094 30 20 DBED N#C[C@@H]1CN(C(=O)[C@@H]2CCOC2)CCN1C(=O)[C@H]1CCOC1 602355359 DHMDZURMBKAURT-FRRDWIJNSA-N 307.350 -0.378 30 20 DBED CC(C)(CNC(=O)N1CC[C@](F)(C#N)C1)NS(C)(=O)=O 615538412 CXSMNJJXWMYIAF-NSHDSACASA-N 306.363 -0.039 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)CN2CCN(C)C(=O)C2)C1=O 684987667 JUTNJNGQDOVMAD-GFCCVEGCSA-N 308.382 -0.994 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)OCCn2cccn2)C1=O 726040063 VNRUUOQLEJBRIL-UHFFFAOYSA-N 306.278 -0.597 30 20 DBED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2C[C@H]3CC[C@H]2O3)CC1 733775236 AQYIWVOCDXBBDW-QLFBSQMISA-N 319.405 -0.162 30 20 DBED C[C@H]1CC(=NC(=O)[C@@H](C)NS(=O)(=O)c2cnn(C)c2)NO1 765373998 WXCNIBGTSTYILP-JGVFFNPUSA-N 315.355 -0.675 30 20 DBED C=CCOC[C@H](NC(=O)NCCn1cnnc1CC)C(=O)O 797729840 SHUYXWNIMIAXJG-JTQLQIEISA-N 311.342 -0.205 30 20 DBED CCC(=O)N[C@@H](C)C(=O)NS(=O)(=O)c1cncc(C#N)c1 813981431 ARDZPOSGBVVNMY-QMMMGPOBSA-N 310.335 -0.327 30 20 DBED Cc1nnsc1C=NNC(=S)NCCN1CCOCC1 814213537 DLMGEINISARMQQ-UHFFFAOYSA-N 314.440 -0.023 30 20 DBED O=C(CS(=O)(=O)C1CCCC1)N[C@H]1CCCN(O)C1=O 820477055 SXRORVXUGLNGJD-JTQLQIEISA-N 304.368 -0.160 30 20 DBED C=CCS(=O)(=O)CCNC(=O)c1ccc(-c2nn[nH]n2)cn1 823931596 AIBQMKKRPIGIEQ-UHFFFAOYSA-N 322.350 -0.408 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](C)OCC)CC1 831555917 DEPZKGKVSREVFF-NSHDSACASA-N 303.384 -0.977 30 20 DBED C#CCN1CCN(C(=O)CN(C)[C@H](COCC)C(=O)O)CC1 833365144 YHPNUSALDIRQDI-CYBMUJFWSA-N 311.382 -0.815 30 20 DBED Cc1nn(C)c(N2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1C#N 839731768 ALNMOUZQJAVKGI-ZYHUDNBSSA-N 318.337 -0.086 30 20 DBED C#CC[C@H](CO)NS(=O)(=O)c1ccc(CNC(C)=O)cc1 882344742 QPZJCMMHZMLWEX-CYBMUJFWSA-N 310.375 -0.015 30 20 DBED C=CCN(C(=O)[C@H]1C[C@H]1C(=O)OC)[C@@H]1CCS(=O)(=O)C1 888862677 NHTJWDQKYFYSPT-OUAUKWLOSA-N 301.364 -0.003 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCCN1CCNC1=O 898046959 ZGPHFISPCPIXED-NEPJUHHUSA-N 324.381 -0.775 30 20 DBED C[C@@H](C(=O)O[C@H](C)C(=O)N(C)CCC#N)N1C(=O)CCC1=O 919261538 WRQQOUNRVNPQQL-VHSXEESVSA-N 309.322 -0.172 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)COC(F)(F)F)CC1 931874757 PTVVCGNTRXUJGB-UHFFFAOYSA-N 307.272 -0.584 30 20 DBED CN1CC[C@H](C(=O)N(C)[C@@H]2CCN(C(=O)C#CC3CC3)C2)C1=O 937349774 LHFGTYKRUYHEOF-KGLIPLIRSA-N 317.389 -0.063 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](NC(=O)[C@@H]2CCCN2C(N)=O)C1 938197823 KGAKTZYTBZINLO-VWYCJHECSA-N 307.354 -0.594 30 20 DBED C=CCOc1cccnc1C(=O)N1CC[C@H](NC(=O)C(N)=O)C1 938586117 HTIYQWAWVNOFLU-JTQLQIEISA-N 318.333 -0.538 30 20 DBED N#CCN1CCC2(CC1)CN(C(=O)[C@H]1COC(=O)N1)CCO2 949083983 VLEZVYDNKWANIL-LLVKDONJSA-N 308.338 -0.688 30 20 DBED CN(C(=O)[C@H]1COCCO1)C1CN(C(=O)c2c[nH]c(C#N)c2)C1 953769659 NHCJNDZTXMQOHN-CYBMUJFWSA-N 318.333 -0.415 30 20 DBED C[C@H](C#N)C(=O)N1CC(N(C)C(=O)c2cccn3nnnc23)C1 954363402 FHSADQZGRGVJRT-SECBINFHSA-N 313.321 -0.433 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@@H](CNC(=O)c2cc(=O)n(C)o2)C1 957999811 NSRVIHHTDLRTLN-NWDGAFQWSA-N 309.366 -0.033 30 20 DBED N#CCN1C[C@@H](O)[C@H](CNC(=O)c2cnn3c2OCCC3)C1 958220097 SKTOBVBOFDBVSX-ZYHUDNBSSA-N 305.338 -0.788 30 20 DBED C=CCCN1C[C@@H](O)[C@@H](CNC(=O)c2ccc3nnnn3c2)C1 958255383 XMIJWERKJHDCSL-QWHCGFSZSA-N 316.365 -0.277 30 20 DBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cnn3ccc(C)nc23)C1 958599952 WCRGYHHOURKDKI-GXTWGEPZSA-N 313.361 -0.307 30 20 DBED Cc1c[nH]nc1C(=O)N(C)[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 958842615 KHTWJNBZJUDTIA-STQMWFEESA-N 316.361 -0.225 30 20 DBED C#CCN1C[C@H]2[C@H](NC(=O)c3cnc4ccccn4c3=O)[C@H]2C1 960613038 WLQLGCGIWFCZKL-NHAGDIPZSA-N 308.341 -0.012 30 20 DBED C[C@H](C#N)C(=O)N1CCO[C@@H]2CN(C(=O)c3ccn(C)n3)C[C@@H]21 960874192 JBNZAMWJNJPGQN-KGYLQXTDSA-N 317.349 -0.368 30 20 DBED C#CCCN1C[C@H]2C(NC(=O)[C@H]3CCCN(C(N)=O)C3)[C@@H]2C1 960891154 AFLRDWQGVBKTBH-YNEHKIRRSA-N 304.394 -0.153 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](NC(=O)c2nnn(C)n2)C(C)(C)C1 967096964 AFLJRWVWEUAHJK-NXEZZACHSA-N 319.369 -0.273 30 20 DBED C#CCN1CC[C@@H](C)[C@H](NC(=O)CN2CC(=O)N(C)C2=O)C1 968541064 XVZBKVMUUXVQSY-VXGBXAGGSA-N 306.366 -0.660 30 20 DBED Cn1cc(C(=O)NC[C@@H]2CCCCCN2CC#N)c(O)nc1=O 969142122 WJFGGZMQXRQHLX-NSHDSACASA-N 319.365 -0.016 30 20 DBED C=CCCN1C[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C(C)(C)C1 974681236 SQEVKXOEFZPFEY-WDEREUQCSA-N 308.382 -0.013 30 20 DBED O=C(C#CC1CC1)N1CC[C@@H]2CN(C(=O)Cc3nc[nH]n3)[C@@H]2C1 975300647 UBNONLRPGWJQCY-CHWSQXEVSA-N 313.361 -0.180 30 20 DBED C[C@H](NCc1ccc(C#N)cc1)[C@@H]1CN(C(=O)C(N)=O)CCO1 979355994 HTCDJQLFQJEOHG-FZMZJTMJSA-N 316.361 -0.251 30 20 DBED Cn1nnnc1CN1CCCN(C(=O)c2cc(C#N)c[nH]2)CC1 980917388 MQBIDMSIJHCHSC-UHFFFAOYSA-N 314.353 -0.242 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@@H](N(C)C(=O)CN2CCOCC2)C1 984584835 JDYALXVVACLOAA-ZIAGYGMSSA-N 322.409 -0.072 30 20 DBED CC[C@@H]1[C@@H](NC(=O)CN2CCOCC2)CCN1C(=O)[C@@H](C)C#N 984786800 IEXHELCMADPCCT-MELADBBJSA-N 322.409 -0.026 30 20 DBED C#CCN(C)C1CCN(C(=O)CC[C@@H]2NC(=O)NC2=O)CC1 985782427 WLPLHPVOJITVPX-LBPRGKRZSA-N 306.366 -0.469 30 20 DBED C=C(Cl)CN[C@H]1CCN(C(=O)Cn2ncn(C)c2=O)[C@@H]1C 986448941 UFUAXMNNRQUSAY-MNOVXSKESA-N 313.789 -0.087 30 20 DBED C[C@@]1(C(=O)NC2CN(C(=O)c3ccc(C#N)[nH]3)C2)CCC(=O)N1 999144828 KICOFEAWKBFHQX-HNNXBMFYSA-N 315.333 -0.504 30 20 DBED N#Cc1ccc(C(=O)NCC2CN(C(=O)Cn3nccn3)C2)[nH]1 1001482814 PVVCZWOJVBPWSS-UHFFFAOYSA-N 313.321 -0.634 30 20 DBED N#Cc1ccc(C(=O)NC[C@H]2CCCCCN2C(=O)C(N)=O)[nH]1 1005399370 OFTYEQBEUIMNNS-LLVKDONJSA-N 317.349 -0.127 30 20 DBED C[C@H](C#N)C(=O)N1CC([C@@H](C)NC(=O)c2cncnc2O)C1 1006299163 MMDQUGVZRFTRLB-RKDXNWHRSA-N 303.322 -0.081 30 20 DBED N#CCN1CCC[C@H](NC(=O)c2ccc(S(N)(=O)=O)o2)C1 1007777097 UBIOBGAMTJUWEU-VIFPVBQESA-N 312.351 -0.355 30 20 DBED N#CCN1CCC[C@H](NC(=O)c2cnn3c(=O)cc[nH]c23)C1 1008784361 NPTKVHAHPXIPKB-JTQLQIEISA-N 300.322 -0.260 30 20 DBED C#CCN[C@H]1CCN(C(=O)c2cn(C[C@H]3CCOC3)nn2)C1 1019578072 USOCFONCZLERBW-OLZOCXBDSA-N 303.366 -0.248 30 20 DBED C#Cc1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)C(F)F)C2)nc1 1022858675 ISAZCQOEBPCGKK-GHMZBOCLSA-N 309.272 -0.371 30 20 DBED C[C@@]1(C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2O)CCOC1 1025308716 BFGIUOOJEDLCBM-XJKCOSOUSA-N 306.362 -0.486 30 20 DBED C[C@H](NC(=O)c1cnc(O)n(C)c1=O)[C@@H]1CCCN(CC#N)C1 1025505412 HIJUOCKKENZCIB-WDEREUQCSA-N 319.365 -0.160 30 20 DBED C#CCCN1CCC[C@@H]1CNC(=O)c1cn(C)c(=O)nc1O 1028312674 OUEYDIIVZUPNQJ-LLVKDONJSA-N 304.350 -0.297 30 20 DBED CC#CCN1CC[C@@H](N(C)C(=O)CN2CCCS2(=O)=O)C1 1033132799 YCNXZBOYQKKNLM-CYBMUJFWSA-N 313.423 -0.422 30 20 DBED CC(C)(C)N1C[C@H](C(=O)NC[C@@H]2CN(CC#N)CCO2)CC1=O 1035393165 XVVHSKLASRAHSI-CHWSQXEVSA-N 322.409 -0.026 30 20 DBED C#CCN1CCO[C@@H](CNC(=O)c2cnn3c2OCCC3)C1 1035434885 HWORPURCIZSYPE-LBPRGKRZSA-N 304.350 -0.271 30 20 DBED N#CCN1CCO[C@@H](CNC(=O)c2ccc3nncn3c2)C1 1035549102 ISENQHHYCGIVGL-LBPRGKRZSA-N 300.322 -0.317 30 20 DBED C#Cc1ccc(C(=O)N2CC[C@H](NCC(N)=O)[C@H](C)C2)nc1 1036259168 WEMHLBONOHIWIW-YPMHNXCESA-N 300.362 -0.012 30 20 DBED C#CCN1CCC(C(=O)N[C@@H]2[C@H]3C[C@H]2N(CC(N)=O)C3)CC1 1037744831 WSHGZBVBLSIWQH-GZBFAFLISA-N 304.394 -0.994 30 20 DBED C#CCCCC(=O)NC[C@]1(O)CCN(C(=O)CCN(C)C)C1 1039574379 RTKILDLZBYQOKK-MRXNPFEDSA-N 309.410 -0.179 30 20 DBED C=CCCOCC(=O)NC[C@@]1(O)CCN(C(=O)c2cnco2)C1 1040160938 ITTLNKDLBAXYOR-HNNXBMFYSA-N 323.349 -0.040 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H]2CN(c3ccc4nnnn4n3)C[C@H]21 1040541064 MUNJEZXXQADVJJ-GARJFASQSA-N 312.337 -0.284 30 20 DBED N#Cc1nccnc1N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCOC2)C1 1040938190 DPPPSNVUIRLBPV-MVWJERBFSA-N 303.322 -0.950 30 20 DBED Cc1cc(C#N)nc(N2C[C@@H](O)[C@H](NC(=O)c3cnon3)C2)n1 1041133229 BFPZWPYFVRDWLZ-GHMZBOCLSA-N 315.293 -0.981 30 20 DBED C[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1NC(=O)Cn1cnnn1 1041760176 IOUYXMCLMYIQPG-ZWNOBZJWSA-N 312.337 -0.419 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)c2cccn(C)c2=O)C1 1041956664 UTJFHVUFBQBVLD-UHFFFAOYSA-N 319.361 -0.345 30 20 DBED CO[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1NC(=O)[C@@H]1CCCO1 1042752085 FLCKEPJTEXIDMI-FRRDWIJNSA-N 317.349 -0.153 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)Cc2ccn(C)n2)C1 1042803263 VTTDSXAZUXHYFB-UHFFFAOYSA-N 318.377 -0.544 30 20 DBED C=C[C@@](C)(O)CC(=O)NCC1(O)CN(C(=O)c2ncoc2C)C1 1042806404 GPRAKFPFRWEAEG-CQSZACIVSA-N 323.349 -0.387 30 20 DBED CC(C)C#CC(=O)NCC1(O)CN(C(=O)C[C@H]2CCC(=O)N2)C1 1042938150 QBKKPTGPVBORMZ-GFCCVEGCSA-N 321.377 -0.996 30 20 DBED O=C(C#CC1CC1)NCC1(O)CN(C(=O)Cc2cc[nH]n2)C1 1042959065 VATBRNCJUNMJIG-UHFFFAOYSA-N 302.334 -0.945 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(C(=O)CC2CCC2)C1 1043032839 JPEQNDSTEPUJRA-UHFFFAOYSA-N 308.378 -0.094 30 20 DBED C=CCCOCC(=O)N1CC(O)(CNC(=O)Cc2ccc[nH]2)C1 1043292794 IJLGLBZOMAWAQZ-UHFFFAOYSA-N 321.377 -0.161 30 20 DBED C=C(C)CCC(=O)NCC1(O)CN(C(=O)Cc2nc[nH]n2)C1 1043314454 FZYPMOIAMHCPLJ-UHFFFAOYSA-N 307.354 -0.607 30 20 DBED N#Cc1cnc(N2C[C@H](O)[C@H](NC(=O)c3nccs3)C2)cn1 1044136129 BRBNSFOXDROPMS-ZJUUUORDSA-N 316.346 -0.216 30 20 DBED C=CCCCC(=O)N1CC(O)(CNC(=O)c2cnc(O)n2C)C1 1044464440 OREJQHPXRIDHGC-UHFFFAOYSA-N 322.365 -0.215 30 20 DBED C=CC(C)(C)CC(=O)N1CC(O)(CNC(=O)c2cnon2)C1 1045188509 WGXWNKSRHBWZGM-UHFFFAOYSA-N 308.338 -0.025 30 20 DBED CCn1ccc(C(=O)N2CC(O)(CNC(=O)[C@@H](C)C#N)C2)n1 1045552258 RQUFWEKYABTGRW-JTQLQIEISA-N 305.338 -0.634 30 20 DBED C=CCN1CC[C@H](N2CCN(C(=O)Cn3cnnn3)CC2)C1 1046000915 BUJRWNBWSHCFET-ZDUSSCGKSA-N 305.386 -0.922 30 20 DBED C[C@@H](C(N)=O)N1CC[C@@H](N2CCN(C(=O)C#CC3CC3)CC2)C1 1046027148 IMODSQVHDVPURG-DZGCQCFKSA-N 318.421 -0.508 30 20 DBED C#CCN1CC[C@@H](N2CCN(C(=O)[C@H]3CCC(=O)N3C)CC2)C1 1046056951 WSJHFDUKEVJRPI-HUUCEWRRSA-N 318.421 -0.541 30 20 DBED CC#CCN1CC[C@@H](N2CCN(C(=O)c3cnon3)CC2)C1 1046071927 BMQJKWZDPZDWRC-CYBMUJFWSA-N 303.366 -0.075 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@@]23CCOC3)C1 1046574732 BPGZBDSCWDZVPO-SWLSCSKDSA-N 324.377 -0.695 30 20 DBED C=CCN1CC[C@@](C)(NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 1046668644 ILYNEEPFOXLNRT-OAHLLOKOSA-N 306.366 -0.536 30 20 DBED CC(=O)Nc1c[nH]c(C)c1C(=O)N(C)[C@H]1CN(CC#N)C[C@@H]1O 1047434176 QZUPILPTZPWEBJ-STQMWFEESA-N 319.365 -0.078 30 20 DBED C#Cc1cncc(C(=O)N(C)[C@H]2CN(CCCO)C[C@@H]2O)c1 1047521599 WIEWMZJWQISBCQ-GJZGRUSLSA-N 303.362 -0.438 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C(N)=O)cs2)C1 1047638935 GTCCDICTWBXBNJ-RYUDHWBXSA-N 321.402 -0.013 30 20 DBED N#CCN1C[C@H]2CN(C(=O)[C@@H]3CN4CC5CC4(CO3)C5)C[C@H]2C1 1048943357 AINVAMTWAYWTJM-HJTLVLNNSA-N 316.405 -0.237 30 20 DBED C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC(=O)N2)CCN1c1ccnc(C#N)n1 1050474590 KXCXNOGBASNISK-VWYCJHECSA-N 314.349 -0.290 30 20 DBED C=CCOCCCC(=O)N[C@H](C)[C@H]1CCN(C(=O)C(N)=O)C1 1051468847 ISXXVTUFVLKIAE-NEPJUHHUSA-N 311.382 -0.192 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)CNC(=O)NC)C[C@@H]1C 1052776668 QZKJIJAEBMJCCM-QWHCGFSZSA-N 322.409 -0.070 30 20 DBED CC[C@@H]1CCCN1C(=O)C(=O)N1CCOC2(CN(CC#N)C2)C1 1053499807 GSVTUMSFLUEWKC-CYBMUJFWSA-N 320.393 -0.176 30 20 DBED C#CCN1CC2(C1)CN(C(=O)Cn1c(C)csc1=O)CCO2 1053529268 RCXJCVYFIOOBMS-UHFFFAOYSA-N 321.402 -0.235 30 20 DBED C#CCN1CC2(C[C@H](NC(=O)c3cn(CCC)nn3)CO2)C1 1053969794 YCNOURWJJUADEC-LBPRGKRZSA-N 303.366 -0.106 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)[C@H]3CCc4n[nH]cc4C3)CO2)C1 1053981563 OMNXEFNYELPSRL-AAEUAGOBSA-N 315.377 -0.002 30 20 DBED N#Cc1cncc(N2C[C@@H]3CCC[C@]3(NC(=O)C(N)=O)C2)n1 1055574829 YYBBLMYLQCMYOL-XPTSAGLGSA-N 300.322 -0.691 30 20 DBED N#CCSCC(=O)N(CCO)CCNC(=O)CCCF 1057029979 HBOZIISWWHZYNC-UHFFFAOYSA-N 305.375 -0.070 30 20 DBED C=C[C@](C)(O)CC(=O)NCCN(CCO)C(=O)c1cc[nH]n1 1057045361 SSTVWNORKWOSJF-AWEZNQCLSA-N 310.354 -0.713 30 20 DBED CS[C@H](C)C(=O)N(CCO)CCNC(=O)CSCC#N 1057054424 ZCFVNIXODRCHCD-SNVBAGLBSA-N 319.452 -0.068 30 20 DBED C[C@H](C#N)C(=O)N1CCCN(c2ncnc3c2nnn3C)CC1 1057106983 CLNKIWSRBUGVFW-SNVBAGLBSA-N 314.353 -0.043 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)c1cccc(O)n1 1057517331 QMUDUNYZENCHMW-UHFFFAOYSA-N 319.361 -0.003 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)C1=COCCO1 1057517501 UWPKIKYIEOPSBH-UHFFFAOYSA-N 310.350 -0.529 30 20 DBED C=C[C@H](C)[C@@H](C)C(=O)N(CCO)CCNC(=O)Cn1nccn1 1058437554 GTZKVWQLJBTXFD-QWHCGFSZSA-N 323.397 -0.327 30 20 DBED N#Cc1cnc(N2CC[C@H](NC(=O)[C@H]3CNC(=O)N3)C2)c(F)c1 1058531835 ZPWPLHGGRVQQTC-GXSJLCMTSA-N 318.312 -0.531 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)CN1CCC(C)(C)C1 1058850021 AJUQTBIYCBHKPM-CYBMUJFWSA-N 324.425 -0.185 30 20 DBED COCCO[C@H](C)C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N 1058903706 DQGXABPFTGYSMB-NWDGAFQWSA-N 315.370 -0.865 30 20 DBED C=C[C@@](C)(O)CC(=O)NCCN(CCO)C(=O)Cc1cnc[nH]1 1058948127 LUVVRQMCXHLLJX-OAHLLOKOSA-N 324.381 -0.784 30 20 DBED N#Cc1nccnc1N1CCC[C@H]1CNC(=O)[C@@H]1CNC(=O)N1 1061440250 CDCMYJAHWMGEKY-ONGXEEELSA-N 315.337 -0.885 30 20 DBED C#CCCCC(=O)N1CCOC[C@H]1CNC(=O)CCNC(N)=O 1061579468 YXGUCVXXGLWWLQ-GFCCVEGCSA-N 324.381 -0.808 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H]1COCCN1C(=O)Cc1ccn(C)n1 1061848929 WYUXUSHKCRONID-WCQYABFASA-N 319.365 -0.534 30 20 DBED C#CCO[C@@H](C)C(=O)NC1(CNC(=O)CNC(=O)CC)CCC1 1062714809 ZYYVDEVJXCWCLK-LBPRGKRZSA-N 323.393 -0.294 30 20 DBED CC(C)C#CC(=O)NCC1(NC(=O)[C@@H]2CNC(=O)N2)CCC1 1062960404 HPCPHCKNHUKDGV-NSHDSACASA-N 306.366 -0.518 30 20 DBED N#Cc1cnc(N2CCO[C@H](CNC(=O)c3cnn[nH]3)C2)cn1 1063673099 JZHROILBNUNLDF-SNVBAGLBSA-N 314.309 -0.898 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)[C@@H]2COCCO2)CCO1 1064881112 OCOUXFUXUSQGGI-KGLIPLIRSA-N 324.377 -0.451 30 20 DBED C=CC(C)(C)C(=O)N1CCO[C@@H](CNC(=O)C2(C(N)=O)CC2)C1 1065422448 YVPXEQIKAOVOJR-NSHDSACASA-N 323.393 -0.192 30 20 DBED Cc1nc(CC(=O)NC[C@H]2CN(C(=O)[C@@H](C)C#N)CCO2)n[nH]1 1065556854 KHLTYCSICUIAQC-ONGXEEELSA-N 320.353 -0.841 30 20 DBED CC(=O)NC(C)(C)C(=O)NC[C@@H]1CN(C(=O)[C@H](C)C#N)CCO1 1065557264 OODMMHYMCXBXDW-ZYHUDNBSSA-N 324.381 -0.596 30 20 DBED COCC(=O)N1CCO[C@H](CN=c2cc(C)[nH]cc2C#N)C1 1066595587 SVUXNNWJGHIFKU-CYBMUJFWSA-N 304.350 -0.031 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](CNC(=O)c3cn[nH]c3)C2)nc1 1067652018 SYKRQFPHTASLEX-CHWSQXEVSA-N 312.333 -0.097 30 20 DBED N#Cc1nc(=NCC2CC(NC(=O)[C@@H]3CCNC3=O)C2)cc[nH]1 1067875581 GPPXEMYHWRSYHQ-VQXHTEKXSA-N 314.349 -0.787 30 20 DBED C[C@@H]1C[C@@H](CNc2cnc(C#N)cn2)CN1C(=O)CC(N)=O 1068304130 WYHWQRSBJNARNJ-ZJUUUORDSA-N 302.338 -0.127 30 20 DBED CCN(C)CCC(=O)N1CC2(C1)CN(C(=O)[C@@H](C)C#N)CCO2 1068452065 YBRQXCFCTFDFBP-ZDUSSCGKSA-N 322.409 -0.072 30 20 DBED CN(C(=O)[C@@H]1COC(=O)N1)C1CC(N=c2cc[nH]cc2C#N)C1 1069736083 WDIMOLCXZLWXRI-XIVSLSHWSA-N 315.333 -0.115 30 20 DBED CN(C)C1(C(=O)N2C[C@H](n3ccnn3)[C@H](NCC#N)C2)CCC1 1070207527 ALRKQWPTSICQQS-OLZOCXBDSA-N 317.397 -0.373 30 20 DBED C=C[C@H](CC)CC(=O)NC1(CNC(=O)C(N)=O)CCOCC1 1070209537 FXQQKFAAQPTUBK-LLVKDONJSA-N 311.382 -0.144 30 20 DBED C#CCN[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1c1cn(C)cn1 1070529373 LIGHEBBGXHDJQP-WCQYABFASA-N 315.377 -0.797 30 20 DBED C=CCCC(=O)N1CCC[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 1070534285 NRVFWLHXSNWFJB-MNOVXSKESA-N 322.365 -0.342 30 20 DBED C=CCOCC(=O)N[C@@H]1CCCN(C(=O)CC(=O)N(C)C)C1 1070749261 WTXPRLPJXHBGDG-GFCCVEGCSA-N 311.382 -0.226 30 20 DBED CC(C)C#CC(=O)N1C[C@@H](NC(=O)Cn2cnnn2)[C@H](C)C1 1072035318 KEXWFQHXNIDVNM-VXGBXAGGSA-N 304.354 -0.704 30 20 DBED C#CCNC(=O)CC(=O)N[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1C 1072049152 RADCRBSJNBLXME-JSGCOSHPSA-N 315.373 -0.498 30 20 DBED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)C1(NC(N)=O)CC1 1072049426 SYNYALHXRNYOOL-ZYHUDNBSSA-N 318.377 -0.436 30 20 DBED C[C@@H](C#N)C(=O)N1CC2(CCN([C@H](C)c3nnnn3C)C2)C1 1072553027 VOGRWZTUNFVNGY-WDEREUQCSA-N 303.370 -0.035 30 20 DBED C=CCN1CCCO[C@H](CNC(=O)c2cnc(O)n(C)c2=O)C1 1073723564 KNNGYCXYQHCTIC-LLVKDONJSA-N 322.365 -0.507 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CCN(C(=O)c2cnsn2)CC1 1074495290 QDCFSZPEYDETEL-SECBINFHSA-N 323.378 -0.219 30 20 DBED C=CCC(CC=C)C(=O)N1CCC(O)(CNC(=O)C(N)=O)CC1 1074597176 PSVUYOQVCSILGF-UHFFFAOYSA-N 323.393 -0.290 30 20 DBED C#CCN1C[C@@H](O)[C@H](NC(=O)c2cc(C(F)(F)F)n(C)n2)C1 1077057598 RQVLOEPFLLXPRA-NXEZZACHSA-N 316.283 -0.153 30 20 DBED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)c2cccn3c(O)nnc23)C1 1077995908 XNOVPCUUMBPZPL-VXGBXAGGSA-N 317.349 -0.214 30 20 DBED C#CCN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)c1ccc(=O)n(C)n1)C2 1079102059 DELAKBGMGDRDPS-MRVWCRGKSA-N 300.362 -0.004 30 20 DBED CCN(C(=O)CC(=O)NC)C1CN(C(=O)CSCC#N)C1 1079659536 ZCQYJCNAEMXXIT-UHFFFAOYSA-N 312.395 -0.561 30 20 DBED CCN(C(=O)C[C@H]1CCC(=O)N1)C1CN(C(=O)[C@H](C)C#N)C1 1080079572 SGKYLGGOCZCRPY-GHMZBOCLSA-N 306.366 -0.126 30 20 DBED C#CCNC(=O)CC(=O)N1CC(N(CC)C(=O)c2cnco2)C1 1080165303 PZQDQOGQPVHNEH-UHFFFAOYSA-N 318.333 -0.513 30 20 DBED C=C[C@H](C)[C@H](C)C(=O)NC1(CO)CCN(C(=O)C(N)=O)CC1 1080951770 FTYXXKPGVKXBCA-QWRGUYRKSA-N 311.382 -0.600 30 20 DBED C=CCCC(=O)NC[C@H]1CN(C(=O)CNC(=O)CC)C[C@@H]1O 1081332213 BXDBVGYMLYJURT-RYUDHWBXSA-N 311.382 -0.586 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)c2[nH]c(O)nc2C)C[C@@H]1O 1081338292 ORXVWNYNPLQSNJ-MNOVXSKESA-N 322.365 -0.061 30 20 DBED C=CCOCC(=O)N1C[C@H](CNC(=O)CCOCC)[C@@H](O)C1 1081338862 XGYSBOSOIVQYHD-STQMWFEESA-N 314.382 -0.449 30 20 DBED C#CCCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)Cn2ccnc2)C1 1081581139 XUZISNFXACSFAT-UONOGXRCSA-N 318.377 -0.378 30 20 DBED CC#CCN1C[C@@H](NC(=O)Cc2cn(CC)nn2)[C@H](OC)C1 1081972761 MNXMUJCDNYULHG-ZIAGYGMSSA-N 305.382 -0.321 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CCCc2nn[nH]c21 1083177714 JSMYICOUITVDCM-WCFLWFBJSA-N 316.365 -0.340 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2cnn(C)c2C(F)(F)F)C1 1083600578 BBLCAAZHXVYPPP-ZJUUUORDSA-N 316.283 -0.153 30 20 DBED COCc1nc(C)c(C(=O)N[C@@H]2CN(CC#N)C[C@@H]2O)s1 1084001680 RXWCDCKANPZCEB-ZJUUUORDSA-N 310.379 -0.104 30 20 DBED C[C@@H](C[C@@H](C)Nc1nccnc1C#N)NC(=O)Cn1cnnn1 1089213724 CBEVUULOKHASMR-VHSXEESVSA-N 315.341 -0.270 30 20 DBED CNC(=O)NCC(=O)N[C@H](C)C[C@@H](C)N=c1cc[nH]c(C#N)n1 1089499213 LOBYNLWAEQVQHA-NXEZZACHSA-N 319.369 -0.606 30 20 DBED CC(C)(C)C(=O)C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1O 1090405449 LITZYQFVHYQOHQ-NXEZZACHSA-N 317.349 -0.371 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2ccc3nnnn3c2)[C@H](O)C1 1090431357 WSYUWKHYINJMSE-CHWSQXEVSA-N 314.349 -0.687 30 20 DBED N#Cc1ccc(CN2CC[C@H](NC(=O)C(N)=O)[C@@H](O)C2)cc1 1090535987 YOBLDULEDTXCBX-STQMWFEESA-N 302.334 -0.905 30 20 DBED C=CCN1CC[C@H](NC(=O)c2c(C)c[nH]c2CC(N)=O)[C@@H](O)C1 1090582574 DPYUKJBHRSIMDQ-AAEUAGOBSA-N 320.393 -0.298 30 20 DBED N#Cc1c(F)cccc1N1C[C@H](O)[C@H](NC(=O)CNC(N)=O)C1 1091067717 ODPHBWOOULOBFR-PWSUYJOCSA-N 321.312 -0.969 30 20 DBED CC(C)(O)CC(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@@H]1O 1091099855 WPFPWAVKXPPNSB-YPMHNXCESA-N 304.350 -0.220 30 20 DBED C#CCCCC(=O)N[C@@H]1CN(c2nccc(OC)n2)C[C@@H]1O 1091101254 DSMQVSTZJYJBIO-NEPJUHHUSA-N 304.350 -0.046 30 20 DBED CCNC(=O)CCC(=O)N1CCN(c2ccc(C#N)nn2)CC1 1093138883 AYIHFVNYSMDJOS-UHFFFAOYSA-N 316.365 -0.087 30 20 DBED C#CCNC(=O)CC(=O)N1CCN(c2nc(C)ns2)CC1 1093149124 YSSUKLBWVNUWNV-UHFFFAOYSA-N 307.379 -0.365 30 20 DBED C[C@H](CC(=O)N1CCN(c2ccnc(C#N)n2)CC1)NC(N)=O 1093177624 FKNVPTOQZUWCNL-SNVBAGLBSA-N 317.353 -0.556 30 20 DBED C[C@@H](CC(N)=O)C(=O)N[C@H]1[C@@H]2CN(c3cncc(C#N)n3)C[C@@H]21 1093330419 HMOJDYVVHRTQIF-HJUHTLPRSA-N 314.349 -0.589 30 20 DBED C[C@H](C#N)C(=O)N1CCOC2(CCC(NCC(N)=O)CC2)C1 1093391541 VQGJCLYCDVGEEL-XIKARTHZSA-N 308.382 -0.239 30 20 DBED CC(=O)N1CCOC[C@H]1C(=O)NCCNc1ccc(C#N)nc1 1093653028 BQRMKWQAPLGRCF-AWEZNQCLSA-N 317.349 -0.271 30 20 DBED CCO[C@@H](C(=O)NCCN=c1cc[nH]c(C#N)n1)[C@@H]1CCOC1 1094008980 GDRCHZJSSLZADV-BXUZGUMPSA-N 319.365 -0.260 30 20 DBED COCC(=O)N(C)CC(=O)NCCNc1nc(C)cc(C#N)n1 1094192857 CXJCZEOJWDTYQD-UHFFFAOYSA-N 320.353 -0.710 30 20 DBED C#CCN1CCN(C(=O)Cc2ccon2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094616238 XPSSRCXXPOUYDN-QWHCGFSZSA-N 323.374 -0.840 30 20 DBED CCn1nccc1C(=O)N[C@@H]1CC(=O)N(C2CN(CC#N)C2)C1 1094731395 NHNOQGNFPAFXGW-LLVKDONJSA-N 316.365 -0.559 30 20 DBED C=CCN1CC(N2C[C@@H](NC(=O)[C@@]3(C)CNC(=O)C3)CC2=O)C1 1094764160 QRHKDKJMWXUWNE-MEDUHNTESA-N 320.393 -0.900 30 20 DBED CC#CCN1CC(N2C[C@H](NC(=O)c3[nH]nnc3C)CC2=O)C1 1094772513 WNIPXJHAZRGVEK-LLVKDONJSA-N 316.365 -0.849 30 20 DBED N#CCN1CC(N2C[C@H](NC(=O)Cc3ccco3)CC2=O)C1 1094799781 PZNLHOWRTQXRCS-LLVKDONJSA-N 302.334 -0.253 30 20 DBED N#Cc1c[nH]ccc1=NCCCNC(=O)[C@@H]1CCC(=O)NC1 1094884740 WENWITBPXSHEJS-LLVKDONJSA-N 301.350 -0.180 30 20 DBED CN(CCCNC(=O)C[C@@H]1CCNC1=O)c1ccnc(C#N)n1 1095654928 MWHGLFQUYQTTCU-NSHDSACASA-N 316.365 -0.183 30 20 DBED C[C@H](NC(N)=O)C(=O)N1CC[C@H](Nc2ccc(C#N)nn2)C1 1096931054 TULYPLXYYGKEOT-WPRPVWTQSA-N 303.326 -0.582 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H](C)Nc1ccc(C#N)nn1 1097767733 AJQDNKWINPSWLT-JTQLQIEISA-N 300.322 -0.596 30 20 DBED Cn1cc(C(=O)N2CCC(N(CC#N)CCO)CC2)n(C)c1=O 1098575357 LWNPWZSZSKSTTE-UHFFFAOYSA-N 321.381 -0.854 30 20 DBED C=CCNCc1cn([C@H]2CCN(C(=O)[C@H](COC)OC)C2)nn1 1098722137 LJTHXEXCCMDCPJ-KBPBESRZSA-N 323.397 -0.012 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)Cc2ccon2)[C@@H](O)C1 1099743067 DKQPZRMCKYDZEL-KGLIPLIRSA-N 309.366 -0.029 30 20 DBED C=CCCN1CC[C@H](NC(=O)CCCCNC(N)=O)[C@H](O)C1 1099909614 WOBYOMZYVVDEMN-QWHCGFSZSA-N 312.414 -0.048 30 20 DBED C=CCCCN1CC[C@H](NC(=O)CN2C(=O)CCC2=O)[C@H](O)C1 1100101901 UWNWFQFCVLREPX-QWHCGFSZSA-N 323.393 -0.347 30 20 DBED CN(CCNC(=O)c1ccn2nnnc2c1)c1cnc(C#N)cn1 1100278684 JFZBZQBLBZCWEW-UHFFFAOYSA-N 323.320 -0.348 30 20 DBED COCC(=O)N[C@H](C)C(=O)NCCN(C)c1ncccc1C#N 1100378239 ISBHOLLEQVMYFA-LLVKDONJSA-N 319.365 -0.343 30 20 DBED C[C@@H]1OCCO[C@@H]1C(=O)NCCN(C)c1ccc(C#N)nn1 1100390022 RYEFKWMLJFGWJP-GWCFXTLKSA-N 305.338 -0.295 30 20 DBED N#CCNC(=O)CNC1CC(CNC(=O)CCc2cnc[nH]2)C1 1100391602 SZTSYXXDKMWWGJ-UHFFFAOYSA-N 318.381 -0.534 30 20 DBED C#CCNC(=O)[C@H](C)NC1CC(CNC(=O)c2nc[nH]n2)C1 1100768193 WHGNNXQPDFIHRS-WHXUTIOJSA-N 304.354 -0.959 30 20 DBED N#Cc1cccnc1N1CCC[C@H]1CNC(=O)CNC(N)=O 1100779766 UQEAOMSUMHBNMA-NSHDSACASA-N 302.338 -0.293 30 20 DBED CC(=O)N[C@H](C)C(=O)N[C@@H]1CC2(CN(CC#N)C2)n2ccnc21 1101603927 ISMZKYVFIFRCNP-ZYHUDNBSSA-N 316.365 -0.497 30 20 DBED CN(CCNc1nccnc1C#N)C(=O)CCn1cnnn1 1101740011 LZOAVDSBPVIBGV-UHFFFAOYSA-N 301.314 -0.705 30 20 DBED COCC(=O)N(C)CC(=O)N(C)CCNc1ccc(C#N)cn1 1101999720 NKDBKUQOHFODDB-UHFFFAOYSA-N 319.365 -0.072 30 20 DBED C#CCCN1C[C@@H](C)[C@H](CNC(=O)CN2CC(=O)N(C)C2=O)C1 1102510870 ZCBOGZPSYIVZSU-CHWSQXEVSA-N 320.393 -0.412 30 20 DBED C#CCN1C[C@@H](C)[C@H](CNC(=O)CC[C@@H]2NC(=O)NC2=O)C1 1102563234 PCRSZTWRXJZCFT-UTUOFQBUSA-N 306.366 -0.708 30 20 DBED CC[C@H](CNC(=O)[C@@H]1CCN(C)C1=O)N=c1cc[nH]c(C#N)n1 1103267240 UUCLMSJAMSSJJL-MNOVXSKESA-N 316.365 -0.445 30 20 DBED CC(C)[C@H](CNC(=O)c1nnn(C)n1)Nc1ccc(C#N)nn1 1105265893 HCZRNJAYBBTKPA-JTQLQIEISA-N 315.341 -0.262 30 20 DBED C=CCNCc1cn(C2CN(C(=O)[C@H]3CCNC3=O)C2)nn1 1105297264 KKHCTBFDPHNNJY-LBPRGKRZSA-N 304.354 -0.927 30 20 DBED CCNC(=O)CC(=O)N(C)CCN(C)c1ccc(C#N)nn1 1105369026 LQZAMFKXUAXEDV-UHFFFAOYSA-N 304.354 -0.231 30 20 DBED Cc1nc(NC[C@H](O)CNC(=O)[C@H](C)C#N)c2cnn(C)c2n1 1105770978 DWMAPAKKQHHDHS-SCZZXKLOSA-N 317.353 -0.280 30 20 DBED Cn1ccc(C(=O)NC[C@H](O)CN=c2cc[nH]cc2C#N)n1 1105856203 PNLIARWCZDHVBI-LLVKDONJSA-N 300.322 -0.689 30 20 DBED CN(C)CCCC(=O)NC[C@@H](O)CNc1nccnc1C#N 1106075841 LSRGWWLTHMVIJT-LLVKDONJSA-N 306.370 -0.421 30 20 DBED Cc1ccc(C#N)c(NC[C@@H](O)CNC(=O)CC(=O)N(C)C)n1 1106134463 WJVHFYIKXIMSGP-LBPRGKRZSA-N 319.365 -0.371 30 20 DBED C#CCOCCC(=O)N[C@@H](C)CCNc1ccc2nnnn2n1 1106441563 BWGNJSZBQJRNBJ-NSHDSACASA-N 317.353 -0.134 30 20 DBED CCN(CCN=c1cc[nH]c(C#N)n1)C(=O)CCNC(=O)NC 1106749401 YOASTTIPZZJEOV-UHFFFAOYSA-N 319.369 -0.650 30 20 DBED CNC(=O)CN1CC(n2cc(CNC(=O)C#CC(C)C)nn2)C1 1107169404 GMPHOEVPWDSSCV-UHFFFAOYSA-N 318.381 -0.844 30 20 DBED C#CCCN1CCO[C@](C)(CNC(=O)CC(=O)NCC#C)C1 1107884837 MFMFCBFMILRSAC-MRXNPFEDSA-N 305.378 -0.644 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)c2nc3ncccn3n2)C1 1108294110 UXSJUVPHPWSDDB-HNNXBMFYSA-N 314.349 -0.422 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)[C@H]2CN(CC)CCO2)C1 1108409941 MNROWRUQOOULJO-ZBFHGGJFSA-N 309.410 -0.453 30 20 DBED C#CCOCCC(=O)N[C@@H](C)CNc1ccc2nnnn2n1 1108531032 XLOFOUTXIPRYJB-JTQLQIEISA-N 303.326 -0.524 30 20 DBED C#CCCN1CC(N2C[C@H](NC(=O)CC3(O)CCC3)CC2=O)C1 1108544739 JMPREZCMHCBZEN-CYBMUJFWSA-N 319.405 -0.284 30 20 DBED N#Cc1nccc(NC2(CNC(=O)[C@@H]3CCNC3=O)CC2)n1 1110301634 LSBLNKFBTXISAK-SECBINFHSA-N 300.322 -0.455 30 20 DBED C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2[C@H](C)COC 1110465611 LLYGJPSACFFYKR-SYQHCUMBSA-N 307.394 -0.118 30 20 DBED CNC(=O)NCC(=O)N1CCC[C@H]1CNc1cnc(C#N)cn1 1110565154 KISADLJUGHEDSS-NSHDSACASA-N 317.353 -0.320 30 20 DBED COC[C@H](C)C(=O)NC[C@@]1(O)CCN(c2nccnc2C#N)C1 1111044120 SKDWBZHKNBHSPJ-NHYWBVRUSA-N 319.365 -0.312 30 20 DBED N#Cc1cccnc1N1CC[C@@](O)(CNC(=O)c2cnn[nH]2)C1 1111143000 CMOGHRPNISYOAZ-CQSZACIVSA-N 313.321 -0.557 30 20 DBED C[C@H](CC(N)=O)C(=O)N(CCO)CCNc1ccc(C#N)nn1 1111535831 YRCHUTVZALGLEF-SNVBAGLBSA-N 320.353 -0.907 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2cnn3cc[nH]c23)CC1 1113578449 AOISXLJVOBXAEX-UHFFFAOYSA-N 314.349 -0.830 30 20 DBED C[C@H](CNC(=O)[C@@H]1COC(=O)N1)N(C)c1cncc(C#N)n1 1113591557 ZCBRLVJQCOMLCI-SCZZXKLOSA-N 304.310 -0.602 30 20 DBED C[C@@H](CNC(=O)CCCC(N)=O)N(C)c1cnc(C#N)cn1 1113643700 QZIHIEHFGJRTDI-JTQLQIEISA-N 304.354 -0.055 30 20 DBED C[C@H](CNC(=O)CCCC(N)=O)N(C)c1ccc(C#N)nn1 1113645262 WZEQMBXNWJOZTD-SNVBAGLBSA-N 304.354 -0.055 30 20 DBED C[C@H](CNC(=O)C1CS(=O)(=O)C1)N(C)c1ccc(C#N)nc1 1113734106 WRCZKLHHYYRDOD-SNVBAGLBSA-N 322.390 -0.061 30 20 DBED CS(=O)(=O)CCCN1C[C@H]2C(NC(=O)C#CC3CC3)[C@@H]2C1 1114257857 HANUJYQZSMPLQY-CHWSQXEVSA-N 310.419 -0.119 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H]1[C@@H]2CN(CCS(C)(=O)=O)C[C@@H]21 1114271053 OKIXXXBEWCXRFM-WUHRBBMRSA-N 314.407 -0.884 30 20 DBED C=CCOCCN1C[C@H]2[C@H](NC(=O)C[C@@H](C)NC(N)=O)[C@H]2C1 1114277687 GVVQMGMWFLQVEC-NMKXLXIOSA-N 310.398 -0.318 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)[C@H]3CCC(=O)NC3)[C@H]2C1 1114501764 HUZMJNLPIJGXSR-RMRHIDDWSA-N 305.378 -0.791 30 20 DBED C#CCCN1C[C@H]2[C@H](NC(=O)CCC(=O)NCCCOC)[C@H]2C1 1115103530 LKKKYJZLRNVWLP-HALDLXJZSA-N 321.421 -0.011 30 20 DBED C#Cc1ccc(C(=O)NC2[C@H]3CN(CC(=O)NCC)C[C@H]23)cn1 1115140283 UUNGRFYXSXSSBJ-KBPBESRZSA-N 312.373 -0.141 30 20 DBED C=CCOCCn1nnnc1N1CCC(NC(=O)COC)CC1 1120088302 JQRAGBWQSAHBHD-UHFFFAOYSA-N 324.385 -0.393 30 20 DBED C[C@@H](CN(C)C(=O)CO[C@@H]1CCOC1)N=c1cc[nH]c(C#N)n1 1120111752 YGYQRMOLOXLJOT-NWDGAFQWSA-N 319.365 -0.166 30 20 DBED C#CCO[C@@H](C)C(=O)NC1CC2(C1)CC(N[C@@H]1CCNC1=O)C2 1121103104 SBPOFSALLLSFQO-WXQWYESMSA-N 319.405 -0.070 30 20 DBED N#Cc1nc(=N[C@H](CO)CNC(=O)CC[C@H]2CCCO2)cc[nH]1 1121137515 XEEDKAYPLIKFFS-NWDGAFQWSA-N 319.365 -0.382 30 20 DBED C[C@H](C(=O)NC[C@H](CO)Nc1cnc(C#N)cn1)n1cccn1 1121213167 NHJQPIOQWCZWGF-ZYHUDNBSSA-N 315.337 -0.305 30 20 DBED COCCOCC(=O)NC[C@@H](CO)Nc1ccc(C#N)c(C)n1 1121213169 NINIBYIAZCKFOV-ZDUSSCGKSA-N 322.365 -0.186 30 20 DBED C=CCOCCCC(=O)NC[C@H](CO)N=c1cc[nH]c(C#N)n1 1121251667 UQQAGHRKVZBPIK-GFCCVEGCSA-N 319.365 -0.358 30 20 DBED CN(C)C1(C(=O)NC[C@H](CO)Nc2cncc(C#N)n2)CCC1 1122190212 NSCQHQQTTAIPPQ-GFCCVEGCSA-N 318.381 -0.278 30 20 DBED N#Cc1c[nH]ccc1=N[C@@H](CO)CNC(=O)CCc1cn[nH]c1 1122704246 JIVZFSXPJYGROV-CYBMUJFWSA-N 314.349 -0.380 30 20 DBED CNC(=O)CC(=O)N[C@H]1CCCN(c2ccc(C#N)nn2)[C@@H]1C 1123537274 GRETWWPFBTUCSX-PWSUYJOCSA-N 316.365 -0.042 30 20 DBED CN(C[C@H](O)CNc1ccc(C#N)nc1)C(=O)[C@H]1COCCO1 1124047740 WOTAUTDKIZTLTI-ZIAGYGMSSA-N 320.349 -0.400 30 20 DBED CN(C[C@H](O)CNc1ccc(C#N)nn1)C(=O)c1cn(C)cn1 1124245721 HGHCLIIBNXPOLV-LLVKDONJSA-N 315.337 -0.373 30 20 DBED CO[C@H](C)C(=O)N(C)C[C@@H](O)CN(C)c1ccc(C#N)nn1 1124958594 VUHCQYYQUACHNV-PWSUYJOCSA-N 307.354 -0.361 30 20 DBED C[C@@H](C#N)C(=O)N(C)C[C@@H](O)CN(C)c1ccc(C#N)nn1 1124988334 IWOXMXXQCCWUQQ-JQWIXIFHSA-N 302.338 -0.237 30 20 DBED C=CCN1CC[C@H](NCCNC(=O)c2nnn(C)c2C)C1=O 1125175141 KTJAERSXKMIYLG-NSHDSACASA-N 306.370 -0.770 30 20 DBED CC#CCCCC(=O)N[C@@H]1CN(CC(N)=O)C[C@@H]1n1ccnn1 1129189621 SZMJHNVQYBPUAF-OLZOCXBDSA-N 318.381 -0.702 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCN[C@@H](C)C(=O)NCC=C 1129790733 HBFXRAGZVRYPNO-KBPBESRZSA-N 306.410 -0.520 30 20 DBED CCNC(=O)CC(=O)NCc1c[nH]nc1[C@H]1CCN(CC#N)C1 1130384116 VIJWVJPKJGKLBE-NSHDSACASA-N 318.381 -0.135 30 20 DBED C#CCN1C[C@H]2C[C@@H]3CN(C(=O)C[C@H](C)NC(N)=O)C[C@@]3(C1)O2 1131230541 LBLJTBPRRMZCOJ-VPWBDBDCSA-N 320.393 -0.632 30 20 DBED CCO[C@@H](C(=O)N1CCC(=O)NCCN(CC#N)CC1)C1CC1 1131359951 AFTCNLIUJUBRKO-OAHLLOKOSA-N 322.409 -0.024 30 20 DBED COCC#CCNCCNC(=O)c1cc2c(=O)[nH]c(C)cn2n1 1131834575 CZAOWIHAZLZZQA-UHFFFAOYSA-N 317.349 -0.700 30 20 DBED C#CCN1C[C@H](NC(=O)CS(=O)(=O)CCOC)CC[C@H]1C 1132141738 UFTKQLKRJVUAIE-CHWSQXEVSA-N 316.423 -0.350 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)C[C@@H]2CCC(=O)N2C)C1=O 1132256941 GLMLRPPXEXHTGV-QWHCGFSZSA-N 322.409 -0.510 30 20 DBED CC(C)N(C)CC(=O)N[C@H]1CC[C@H](C)N(CC(=O)NCC#N)C1 1132522218 MXLZBLHVSUBVAZ-KBPBESRZSA-N 323.441 -0.065 30 20 DBED COCC#CCNCCNC(=O)c1ccc2nc(O)[nH]c2n1 1132926519 CAGXKWKINCPQAA-UHFFFAOYSA-N 303.322 -0.367 30 20 DBED C#CCOCCC(=O)N[C@H](C)C[C@H](C)NCCOCCO 1134353117 VWVPNUYDYQMGKW-UONOGXRCSA-N 300.399 -0.092 30 20 DBED C[C@H](C(=O)NCCNCC(=O)NCC#N)N1CCCCCC1 1134749889 FKNCKMIDVXUHRB-CYBMUJFWSA-N 309.414 -0.404 30 20 DBED C=C(C)C[C@@H](NC(C)=O)C(=O)NCCN[C@H]1CCCNC1=O 1134816736 IAGRAKWATLKZLF-QWHCGFSZSA-N 310.398 -0.558 30 20 DBED CC#CCN[C@@H](C)C[C@H](C)NC(=O)CN1CC(=O)N(C)C1=O 1135919291 ATXYYEGYNGULQI-RYUDHWBXSA-N 308.382 -0.223 30 20 DBED C#CCOCCC(=O)N1CC2(CCN(CC(=O)NC3CC3)C2)C1 1147530683 PTBUVCWVJQIVNH-UHFFFAOYSA-N 319.405 -0.161 30 20 DBED N#Cc1cccc(CN2CCCO[C@H](CNC(=O)C(N)=O)C2)c1 1150201730 ADBZYRVUIOEJAQ-CQSZACIVSA-N 316.361 -0.249 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)C1=COCCO1 1151698614 MEQIERVRLVCPIM-GFCCVEGCSA-N 309.366 -0.549 30 20 DBED CCN(CC(=O)NC(=O)NC1CC1)[C@H](C)CNC(=O)[C@H](C)C#N 1152449760 JMEOMJJDHRGMDK-GHMZBOCLSA-N 323.397 -0.039 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)c1ccc(C#N)[nH]1 1156697853 NERSGVFYMWMRRM-LLVKDONJSA-N 301.350 -0.266 30 20 DBED COCC#CCNCCCNC(=O)[C@@H]1CN2CCC[C@@H]2CO1 1158487036 VISQRRUPBHHTPO-CABCVRRESA-N 309.410 -0.405 30 20 DBED Cc1nc(C)c(C(=O)NCCCNCC(=O)NCC#N)nc1C 1162198372 AFHIQHBNECTGJH-UHFFFAOYSA-N 318.381 -0.249 30 20 DBED C#CCCNCC1(CCNC(=O)CN(C)C(=O)COC)CC1 1165299557 KYECQHQLFYUGLI-UHFFFAOYSA-N 309.410 -0.009 30 20 DBED C#CCNC(=O)CNCC1(CCNC(=O)Cc2cnoc2)CC1 1166787121 DMAMFXVJZXRDMO-UHFFFAOYSA-N 318.377 -0.157 30 20 DBED C#CCNC(=O)CNCCCNC(=O)[C@@H](CC(=C)C)NC(C)=O 1167678125 UCULSTFJWDFOHR-CQSZACIVSA-N 322.409 -0.697 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1c(OC)ccnc1O 1171321426 IJVVQBNHTMLGEL-UHFFFAOYSA-N 320.349 -0.745 30 20 DBED C#CCC1(C(=O)N2CC[C@@H]3OCCN(CC(N)=O)[C@@H]3C2)CCC1 1177031847 ZCOVTCFNFRCOHQ-KGLIPLIRSA-N 319.405 -0.033 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)c2cnccn2)[C@H]1C 1178042196 UYLHNFVJUSIQCN-RYUDHWBXSA-N 303.366 -0.029 30 20 DBED C[C@H]1[C@@H](NCC(=O)NCC#N)CCN1C(=O)[C@@H]1CCN(C)C1 1180124324 HCTBPCULZDRDTP-XQQFMLRXSA-N 307.398 -0.843 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)Cc2cnn(C)c2)C1 1181476349 NZADKKRFYTUCQQ-CYBMUJFWSA-N 305.382 -0.545 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](NCC(=O)NCC2CC2)C1 1182488891 DLWYRFLSEAGRCJ-CQSZACIVSA-N 307.394 -0.257 30 20 DBED CCC(=O)NCC(=O)N1C[C@H](CNCC#N)C2(CCOCC2)C1 1186309287 FNJZYVGCRHSFBD-ZDUSSCGKSA-N 322.409 -0.119 30 20 DBED C=CCNC(=O)CN1C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)[C@@H]2C1 1187326936 VFPWHICSVWYQRX-SOUVJXGZSA-N 320.437 -0.085 30 20 DBED C=C(Cl)CN[C@@H]1CCN(C(=O)CS(=O)(=O)N(C)C)C1 1187516024 KLXHDSMZZOPHBE-SNVBAGLBSA-N 309.819 -0.179 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 1188158384 MTGIOYMAYKDESQ-UONOGXRCSA-N 308.426 -0.345 30 20 DBED COCC#CCN1C[C@@H]2CCN(C(=O)[C@H]3CCCC(=O)N3)[C@@H]2C1 1188278458 POMYSXJOHCSRGZ-RRFJBIMHSA-N 319.405 -0.162 30 20 DBED C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)c2cc(C)ncn2)C1 1189674912 SIELBEWGBDYUDE-ZDUSSCGKSA-N 315.377 -0.319 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC[C@H](N(C)CC(=O)NCC#N)C1 1189919226 ZKZVXCHPBJWSIK-WFASDCNBSA-N 308.382 -0.514 30 20 DBED N#CCSCC(=O)N[C@@H]1CN(CCOCC2CC2)C[C@H]1O 1191149218 IMPMTGQUYIBGSA-CHWSQXEVSA-N 313.423 -0.169 30 20 DBED C=CCOCCCC(=O)N[C@@H]1CN(Cc2ncnn2C)C[C@H]1O 1192054631 WKYWYGGTGZSVGR-CHWSQXEVSA-N 323.397 -0.541 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(Cc2csnn2)C[C@H]1O 1192530978 ROABWUOYFIPMCI-WZRBSPASSA-N 312.395 -0.474 30 20 DBED Cn1nncc1CN1C[C@@H](O)[C@H](NC(=O)C#CC(C)(C)C)C1 1192871621 VALZCPHFVRERML-CHWSQXEVSA-N 305.382 -0.474 30 20 DBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)[C@H](C)c2ccnn2C)C1 1193075694 JNJWHHAPVYJHRI-UMVBOHGHSA-N 322.409 -0.113 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)C2(CCOC)CC2)C1 1193638523 ZOGAECVBOYYYQO-ZIAGYGMSSA-N 310.394 -0.386 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)c2cc(F)c[nH]2)C1 1194790472 YSRMLIYDJULYHB-OASPWFOLSA-N 322.340 -0.933 30 20 DBED CN(CC(=O)N[C@H]1C[C@@H](NCC#N)C12CCC2)S(C)(=O)=O 1202993940 ABPAHSWTCRLFRC-MNOVXSKESA-N 314.411 -0.582 30 20 DBED CC#CCNC1CCN(C(=O)CC[C@@H]2NC(=O)NC2=O)CC1 1203633373 QZSYVSPEPVEMGF-LBPRGKRZSA-N 306.366 -0.422 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H]2CC[C@H]1[C@@H](NCCOC)C2 1204224918 DLHKONYEDYFTQS-IHRRRGAJSA-N 307.394 -0.259 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)C[C@H]2CCCO2)[C@H](C)C1 1206156019 YBAAZKSTSDLOHQ-MGPQQGTHSA-N 307.394 -0.259 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)Cc2cc(C)on2)[C@H](C)C1 1206647401 QWJNMIZCKDLNLU-BXUZGUMPSA-N 318.377 -0.289 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(Cc2cnnn2C)C[C@H]1OC 1212032377 XWQILZWFDSZRHC-CHWSQXEVSA-N 309.370 -0.667 30 20 DBED C=CCCn1cc(C(=O)N2C[C@@H](NCC(=O)NC)[C@H](C)C2)nn1 1215854313 AFSSRUIKVMSRDG-VXGBXAGGSA-N 320.397 -0.350 30 20 DBED C=CCOCC(=O)N1CCO[C@@H]2CN(CCOCCO)C[C@@H]21 1217531795 ALOHEFNZMGALBW-UONOGXRCSA-N 314.382 -0.891 30 20 DBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)Cc2cccs2)C1 1219098314 GWLFQWXTQJSTMS-OLZOCXBDSA-N 323.418 -0.246 30 20 DBED C[C@H](O)CCCN1C[C@H](O)[C@H](NC(=O)CSCC#N)C1 1219216441 MDJRZHCXMXODBW-TUAOUCFPSA-N 301.412 -0.435 30 20 DBED CCCn1ncnc1CN1C[C@H](O)[C@H](NC(=O)C#CC2CC2)C1 1219591639 NWMNDWXVOUCLRL-KGLIPLIRSA-N 317.393 -0.237 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)C2(COC)CCOCC2)C1 1219765524 OBZFABZCGPDBTK-KGLIPLIRSA-N 310.394 -0.386 30 20 DBED COCC#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 1219832228 NOQKACARQHKGNX-GBOPCIDUSA-N 318.377 -0.676 30 20 DBED C#CCNC(=O)CN1CCC(NC(=O)C[C@H]2CCCO2)CC1 1226186666 AVBALJOHYIJTPT-CQSZACIVSA-N 307.394 -0.115 30 20 DBED CCc1nc[nH]c1C(=O)NC1CCN(CC(=O)NCC#N)CC1 1230159134 GNBLGNJGFYVSNR-UHFFFAOYSA-N 318.381 -0.194 30 20 DBED C=CCN1CCS(=O)(=O)[C@@H](CCNC(=O)[C@H]2CCOC2)C1 1230466869 BQWGSDJKVSALOK-STQMWFEESA-N 316.423 -0.186 30 20 DBED N#CCNC(=O)CNC(=O)N1CC[C@@H](C(F)(F)F)[C@@H](CN)C1 1261817937 HBVODJBFLPSIMF-DTWKUNHWSA-N 321.303 -0.205 30 20 DBED CN(C)CC#CCNC(=O)CCc1nc(O)c2cnn(C)c2n1 1262185586 UGMNJELMMXZFGB-UHFFFAOYSA-N 316.365 -0.317 30 20 DBED C#CCNC(=O)C1CCN(S(=O)(=O)C[C@@H]2CCOC2)CC1 1321247734 TTYKWBGEVIAUTI-GFCCVEGCSA-N 314.407 -0.186 30 20 DBED N#CC1(NC(=O)CN2C(=O)NC3(CCC(=O)CC3)C2=O)CCC1 1322798312 RKXGKONBQDILPX-UHFFFAOYSA-N 318.333 -0.017 30 20 DBED CS(=O)(=O)[C@H]1CCC[C@H](NC(=O)C(=O)NCCCC#N)C1 1323384582 ZQRLQFANWUMKGR-QWRGUYRKSA-N 315.395 -0.122 30 20 DBED C=CCn1cc(C(=O)OCC(=O)[C@@H]2CCS(=O)(=O)C2)nn1 1326051503 BLYIHKROEXKUAQ-SECBINFHSA-N 313.335 -0.375 30 20 DBED N#CC1CCN(C(=O)C(=O)NCc2nnnn2C2CC2)CC1 1327044625 AOGJURQWCAFNJB-UHFFFAOYSA-N 303.326 -0.614 30 20 DBED C#CCN(C)C(=O)C(=O)N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1328574683 WHMYCMHIRZHKPZ-ZDUSSCGKSA-N 320.393 -0.318 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N[C@H]1C[C@H](C(=O)OC)C1 1331477839 CJPRGVYTLFRQDX-IJLUTSLNSA-N 310.350 -0.401 30 20 DBED COCCN(CCC#N)C(=S)NCCNS(C)(=O)=O 1338511118 AENNABFQBOHWEX-UHFFFAOYSA-N 308.429 -0.728 30 20 DBED CCOCCN1CCN(c2nnc(C[C@H](O)CC#N)n2C)CC1 1338534099 BCCMTNSIEVYIBZ-CYBMUJFWSA-N 322.413 -0.209 30 20 DBED CN1CCC(C#N)(NC(=O)c2ccc(S(N)(=O)=O)nc2)CC1 1339803116 LVAAGQJFRXEVLU-UHFFFAOYSA-N 323.378 -0.553 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)NC[C@]1(N(C)C)CCSC1 1345067534 RIQOHRIPHALLTQ-BXUZGUMPSA-N 315.439 -0.143 30 20 DBED C#C[C@@H](NC(=O)C1(CS(C)(=O)=O)COC1)C1CCOCC1 1352444464 XNLIDAOSPAQAGO-GFCCVEGCSA-N 315.391 -0.408 30 20 DBED C#CCN1CCC[C@H]1c1nnc(N2CCS(=O)(=O)CC2)n1C 1355457413 SLZRCNYPQWHLMM-LBPRGKRZSA-N 323.422 -0.180 30 20 DBED C=CCNC(=O)Cn1nnnc1N1CC[C@@H](C)[S@@](=O)CC1 1355581665 IXGWYGVITPLMJW-UZJPJQLHSA-N 312.399 -0.677 30 20 DBED Cn1cc(S(N)(=O)=O)cc1C(=O)N1CC[C@@](O)(CC#N)C1 1362596950 VIGBEWHPEZFCIK-LBPRGKRZSA-N 312.351 -0.837 30 20 DBED CO[C@]1(C(=O)NCc2ccnc(C#N)c2)CCS(=O)(=O)C1 1362623946 WXHJQDDJFYQWGW-CYBMUJFWSA-N 309.347 -0.227 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@@]1(C)CCC(=O)N1 1365711918 JMIHEZNBDCTMEK-ZYHUDNBSSA-N 302.400 -0.029 30 20 DBED N#Cc1ccc(CNC[C@H](O)CNC(=O)[C@H]2C[C@H]2C(N)=O)s1 1367617128 MAPZHBQRXFFWGJ-AXTRIDKLSA-N 322.390 -0.692 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CN(C)C(=O)CCc1nccn1C 1384244137 KPZCJYSDOBSFOV-NEPJUHHUSA-N 321.381 -0.552 30 20 DBED CN(CCNC(=O)[C@H]1CCCC(=O)N1C)c1ccnc(C#N)n1 1387824431 LXDGLTGYQPLKJD-LLVKDONJSA-N 316.365 -0.088 30 20 DBED Cc1nc(CC(=O)NC[C@H](C)NC(=O)c2c[nH]c(C#N)c2)n[nH]1 1389324312 KEEPSLRKOCXVRJ-QMMMGPOBSA-N 315.337 -0.210 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNCC(=O)N(C)CC(F)(F)F 1392362653 HUGFZWKQZDKBQK-DTWKUNHWSA-N 324.303 -0.767 30 20 DBED C=C(Cl)CN1CCOC[C@@H]1CNC(=O)CNC(=O)OC 1393505808 ZKPUVSBWZRQTNY-JTQLQIEISA-N 305.762 -0.088 30 20 DBED COCC(=O)N(C)CC(=O)N(C)C1CC(NC(=O)[C@H](C)C#N)C1 1405830094 KABKZWPPBCBCQY-VOMCLLRMSA-N 324.381 -0.644 30 20 DBED C[C@@H](CC(N)=O)C(=O)NCCN(C)C(=O)c1ccc(C#N)[nH]1 1408648932 ZOBPTMPTHVVIGW-VIFPVBQESA-N 305.338 -0.414 30 20 DBED C[C@H](C#N)C(=O)NCC1CN(C(=O)CNC(=O)N2CCCC2)C1 1409176034 PWZLZINDVCWEJX-LLVKDONJSA-N 321.381 -0.474 30 20 DBED N#Cc1cnn2c(O)cc(CN3CCOC[C@@H]3CCO)nc12 1413075893 HVGJABRMFIYSEN-LBPRGKRZSA-N 303.322 -0.110 30 20 DBED CNC(=O)NCCC(=O)NCCN(C)C(=O)c1cc(C#N)c[nH]1 1415488651 SXJWQZPPBGOECG-UHFFFAOYSA-N 320.353 -0.606 30 20 DBED CN(Cc1ncon1)C(=O)CCn1cc(C#N)c(O)nc1=O 1417698513 UDLJOPHZLGIHJM-UHFFFAOYSA-N 304.266 -0.748 30 20 DBED Cc1nc(CNCC2(O)CCN(C(=O)[C@H](C)C#N)CC2)n[nH]1 1424546740 KKUULNUGZKFNQO-SNVBAGLBSA-N 306.370 -0.284 30 20 DBED COCCN(CCNC(=O)[C@@H](C)C#N)C(=O)[C@H]1CCN(C)C1 1426072050 PUVGQMXBGYGIEI-STQMWFEESA-N 310.398 -0.311 30 20 DBED C[C@H](CNC(=O)[C@H]1CCC(=O)N1)N(C)C(=O)c1cc(C#N)c[nH]1 1426594217 IXVTVNZNMLMSHY-MWLCHTKSSA-N 317.349 -0.258 30 20 DBED C[C@@H](C#N)C(=O)NC1CCC(N(C)C(=O)Cn2ncnn2)CC1 1442545938 GWKIVZZKEMTONW-UNXYVOJBSA-N 319.369 -0.281 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CN(C)C(=O)c1ncccc1O 1444639256 GWMZQWVFUSDUFS-ZJUUUORDSA-N 306.322 -0.504 30 20 DBED COCc1nocc1C(=O)N(C)C[C@@H](O)CNC(=O)[C@H](C)C#N 1444691729 UIDXLAJACZQWTL-ZJUUUORDSA-N 324.337 -0.470 30 20 DBED CNC(=O)NCC(=O)N[C@H](C)CCNC(=O)c1cc(C#N)c[nH]1 1448479541 GJFRFOZVVGYYFG-SECBINFHSA-N 320.353 -0.560 30 20 DBED CN(CCNC(=O)CCn1cnnn1)C(=O)c1cc(C#N)c[nH]1 1449151783 JMFHABBWKQBWCT-UHFFFAOYSA-N 316.325 -0.849 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CN(C)C(=O)c1n[nH]c2c1CCC2 1451889990 LQPUQSWYIYMXNW-VHSXEESVSA-N 319.365 -0.393 30 20 DBED CC(=O)NCC(C)(C)C(=O)N[C@H]1[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]21 1494461426 COHOIYUPWYXXGF-FTYKPCCVSA-N 320.393 -0.119 30 20 DBED C[C@H](C#N)C(=O)N(C)CCN(C)C(=O)CCn1ncn(C)c1=O 1533025331 SHRGKEYVMAGRRV-LLVKDONJSA-N 322.369 -0.952 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1ccc(N(C)C)nc1 1533294390 XESVSUMXPYIAOU-JQWIXIFHSA-N 319.365 -0.486 30 20 DBED CC[C@H](CNC(=O)NCCN/C(O)=C1\N=CC=CC1=O)C(=O)O 1573798451 WFDUEPYJBZUUNX-JFJDQEMCSA-N 324.337 -0.077 30 20 DBED COC(COCCNc1cnc(-c2nn[nH]n2)c(C#N)n1)OC 1579594615 NXKHKFFWLJEDGW-UHFFFAOYSA-N 320.313 -0.424 30 20 DBED N#C[C@H]1CN(C(=O)NCc2nc(-c3nn[nH]n3)cs2)CCO1 1581856855 HGQJKBGIUNWHNQ-ZETCQYMHSA-N 320.338 -0.243 30 20 DBED C=CC[C@H](CO)NS(=O)(=O)c1cncc(-c2nn[nH]n2)c1 1588545232 BFEYQHWZPYQALS-SECBINFHSA-N 310.339 -0.523 30 20 DBED C#CCN(C)C(=O)NCCNc1ncccc1-c1nn[nH]n1 1602716955 WMSWIVZSRDZRDG-UHFFFAOYSA-N 300.326 -0.052 30 20 DBED C=CCN1CC[C@H](N(C)[C@@H]2CCN(CCC(=O)O)C2=O)C1=O 1602898511 VHUJSUXZMMNUHX-NWDGAFQWSA-N 309.366 -0.219 30 20 DBED N#Cc1ncn(CC(=O)N2CCC[C@@H](Cn3ccnn3)C2)n1 1645628328 MZXBAEHPSHWFJW-LLVKDONJSA-N 300.326 -0.320 30 20 DBED CCN(CC#N)CCCNC(=O)CN1CCCCS1(=O)=O 1752199700 OGBFIAJNGWMRNP-UHFFFAOYSA-N 316.427 -0.236 30 20 DBED COCC#CCN[C@H]1C[C@H](NC(=O)C[C@H]2CCN(C)C2=O)C1 1752643059 XHHUSOLWZUDEHR-MGPQQGTHSA-N 307.394 -0.259 30 20 DBED C=CCNC(=O)CN1CCC[C@@H](CNC(=O)CNC(C)=O)C1 1752776765 DGUYKMCCUPTFAB-ZDUSSCGKSA-N 310.398 -0.747 30 20 DBED Cc1ncc(C(=O)NC[C@@H]2CCCN(CC(=O)NCC#N)C2)[nH]1 1752778420 JEXHSDXTELWVKW-LBPRGKRZSA-N 318.381 -0.200 30 20 DBED C#CCNC(=O)CNCCN(C)C(=O)[C@H]1CCn2cncc2C1 1753203974 GKMNKUYCVUYJSV-ZDUSSCGKSA-N 317.393 -0.757 30 20 DBED C=CCNC(=O)CNCCN(C)C(=O)c1cccc(=O)n1C 1753231474 OMTIAKOAHWUDTB-UHFFFAOYSA-N 306.366 -0.651 30 20 DBED N#CCNC(=O)CN1[C@H]2CC[C@H]1CN(C(=O)Cn1ccnc1)C2 1753311502 CUJOVOSUMQBVFY-STQMWFEESA-N 316.365 -0.802 30 20 DBED C=CCCN1CC(CNC(=O)CN(C)S(=O)(=O)N(C)C)C1 1753402814 FUOLNTQVKQCNNP-UHFFFAOYSA-N 318.443 -0.651 30 20 DBED C[C@@H](CNCC(=O)NCC#N)N(C)C(=O)Cc1cscn1 1753725404 DQGRWQAJGHHGOH-JTQLQIEISA-N 309.395 -0.238 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H](O)CNCC(=O)NCC 1753930388 GHGORFMWTITXDJ-DYEKYZERSA-N 313.398 -0.830 30 20 DBED C=CCN1CC[C@@H](NC/C=C\CNC(=O)[C@@H]2[C@H]3COC[C@H]32)C1=O 1754158979 KKSIDJZGLZJIDL-MGQSUGOMSA-N 319.405 -0.072 30 20 DBED C#CCOCCC(=O)NCC1(O)CN(Cc2cncc(F)c2)C1 1754768055 YUGXLTZHULQINF-UHFFFAOYSA-N 321.352 -0.077 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(CCO)CCN[C@H](C)C(=O)NC 1754891392 QKAINWLJHKWGTF-UPJWGTAASA-N 313.398 -0.878 30 20 DBED Cc1ccn2ncc(C(=O)N(CCO)CCNCC#N)c2n1 1754896174 DPHQHVGXAZSDFH-UHFFFAOYSA-N 302.338 -0.415 30 20 DBED COCC#CCN1CCOC[C@H]1CNC(=O)[C@@]12COC[C@@H]1C2 1754967624 LPQZTZCHMCVUIA-LZWOXQAQSA-N 308.378 -0.510 30 20 DBED CC#CCN[C@]1(CO)CCCN(C(=O)CCc2nc[nH]n2)C1 1755084564 ODJZRGYDZSTIBP-OAHLLOKOSA-N 305.382 -0.296 30 20 DBED CC1(C)CN(CC(=O)NCC#N)CC[C@H]1NC(=O)[C@@H]1CCOC1 1755137415 SCPNASGGKMAFIO-CHWSQXEVSA-N 322.409 -0.121 30 20 DBED CC(=O)CCCC(=O)NCC1[C@H]2CN(CC(=O)NCC#N)C[C@H]12 1755437057 ZZJJSZAREIVSJZ-ZIAGYGMSSA-N 320.393 -0.321 30 20 DBED C#CCNC[C@H]1C[C@H](NC(=O)[C@@H](NS(C)(=O)=O)C(C)C)C1 1755479441 NAYWEBGHKLEMQT-AVGNSLFASA-N 315.439 -0.322 30 20 DBED C#CCNC(=O)CN[C@H](C)CN(C)C(=O)c1nccc(C)n1 1755585091 JZOJEWDMAGOQSR-GFCCVEGCSA-N 303.366 -0.415 30 20 DBED C[C@H]1[C@@H](NC(=O)CN(C)S(C)(=O)=O)CCCN1CC#N 1755719021 SYJGRNPMRCTXFH-QWRGUYRKSA-N 302.400 -0.630 30 20 DBED C#CCNC(=O)CNC[C@@H](O)CN(C)C(=O)c1ccoc1CC 1755777048 GBLLYPSWYMCPDE-GFCCVEGCSA-N 321.377 -0.386 30 20 DBED CN(C[C@@H](O)CNCC#N)C(=O)CNC(=O)Cc1ccccc1 1755794889 AXLQKZRRTKWOTN-AWEZNQCLSA-N 318.377 -0.722 30 20 DBED C=CC(C)(C)C(=O)N[C@@H](C)C1CN(C(=O)[C@H]2CNC(=O)N2)C1 1756152033 HXQXOOFKJYZSEV-GXSJLCMTSA-N 308.382 -0.157 30 20 DBED C#Cc1ccccc1CC(=O)NC[C@@H](CO)NC(=O)CCOC 1756537322 CJBOBGSENDBZHQ-HNNXBMFYSA-N 318.373 -0.160 30 20 DBED C=C1CC(C)(C(=O)NC[C@H](CO)NC(=O)C[C@@H]2CCNC2=O)C1 1756548207 JVVUJUPOFCROJF-NWDGAFQWSA-N 323.393 -0.538 30 20 DBED COCCN(CCNC(=O)[C@H](C)C#N)C(=O)[C@@H]1CCN(C)C1=O 1756729275 NRRWMFQKNQWFED-VXGBXAGGSA-N 324.381 -0.784 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(C(=O)[C@H]2CCNC2=O)C[C@H]1C 1757063753 CACDQPOHLFVBBF-GRYCIOLGSA-N 309.366 -0.712 30 20 DBED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(C)=O 1795330164 FAPWNQPLWWFNCM-IEWDVVTQSA-N 321.377 -0.546 30 20 DBED Cn1ccc(C(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)n1 1846195240 SGCZQYJNZCJDMR-UHFFFAOYSA-N 316.317 -0.675 30 20 DBED CCNC(=O)CN1CCN(CC(=O)N(CC)C[C@@H](C)C#N)CC1 52534194 IWXXMSWGHAQOKG-AWEZNQCLSA-N 323.441 -0.252 30 20 DBED CCn1c(N)c(C(=O)CN(CCC#N)CC2CC2)c(=O)[nH]c1=O 157148995 UJTPDPLRPJJFSC-UHFFFAOYSA-N 319.365 -0.053 30 20 DBED Cc1ccn(CC(=O)N2CCCC[C@@H]2C(N)=O)c(=O)c1C#N 163841813 WSAIPAZRYPVGNP-GFCCVEGCSA-N 302.334 -0.105 30 20 DBED Cc1nc2n(n1)C[C@H](N/C(=N/C(C)C)NCC(=O)N(C)C)CC2 185513222 RDQPINMHRGVOLX-GFCCVEGCSA-N 321.429 -0.067 30 20 DBED C#CCNC(=O)[C@@H](NS(=O)(=O)c1ccc(C)cc1)[C@@H](C)O 193822819 GQEKBEBQUWNQKZ-YPMHNXCESA-N 310.375 -0.228 30 20 DBED C=CCN(C(=O)C[C@H]1COCCN1)[C@@H]1CCS(=O)(=O)C1 262517831 KJOKVURFDPKZMC-NWDGAFQWSA-N 302.396 -0.433 30 20 DBED CN(CC(=O)N1CCO[C@@H](C#N)C1)c1ncnc2nc[nH]c12 264449494 CIAILTZAEWYDTC-VIFPVBQESA-N 301.310 -0.460 30 20 DBED N#C[C@H]1COCCN1C(=O)Cn1c(O)nc(=O)c2ccccc21 267232012 WJGGZHBEYULIJA-JTQLQIEISA-N 314.301 -0.147 30 20 DBED CCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H](O)CO 275580069 BYSDCHDKZJLZIE-SNVBAGLBSA-N 307.306 -0.635 30 20 DBED C#CCCS(=O)(=O)N1CCN(C(=O)C(=O)NC(C)C)CC1 288796312 IEGIDCVCAXILBJ-UHFFFAOYSA-N 315.395 -0.992 30 20 DBED O=C(CNC(=O)N1CCc2ccccc2C1)NCC#CCO 294563556 XKLWDKVKYPRIBN-UHFFFAOYSA-N 301.346 -0.134 30 20 DBED C=CCN(C(=O)[C@H]1CN(C)CCO1)[C@H]1CCS(=O)(=O)C1 328824465 RMWDPTAKHPXAEJ-NWDGAFQWSA-N 302.396 -0.481 30 20 DBED COc1ccc(N/C(O)=N/[C@H]2CCCS(=O)(=O)C2)nn1 329039626 NYNLEAUPNLDCMJ-QMMMGPOBSA-N 300.340 0.388 30 20 DBED C[C@@H]1CCN(/C(O)=N/CCN2CCOCC2)CCS1(=O)=O 330241574 JCJYDYCIDHADOD-GFCCVEGCSA-N 319.427 -0.258 30 20 DBED C[C@@H]1CCS(=O)(=O)CCN1/C(O)=N/C[C@@H]1CN(C)CCO1 330332590 PBLLAZBDGPZBOR-VXGBXAGGSA-N 319.427 -0.260 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@@H]1CCc2ncnn2C1 330396951 SCKZZAZLPUAVNU-WDEREUQCSA-N 312.399 -0.091 30 20 DBED COC(=O)[C@@H]1CN(/C(O)=N/[C@H](C)CS(C)(=O)=O)CCO1 330765840 UHACDKDXQAHJHJ-BDAKNGLRSA-N 308.356 -0.793 30 20 DBED Cn1ccnc(NC[C@H]2CN(C(=O)CCCC#N)CCO2)c1=O 330888033 HTCSTOFTGNKLTD-LBPRGKRZSA-N 319.365 0.113 30 20 DBED N#Cc1ccc(OCC(=O)N2CC[C@@H](S(N)(=O)=O)C2)cc1 339721198 POYIPDIRYLMWAP-GFCCVEGCSA-N 309.347 -0.174 30 20 DBED C=CCN1CCC(NC(=O)C(=O)N2CCn3ncnc3C2)CC1 343739222 MDJCGEUNVDBOEW-UHFFFAOYSA-N 318.381 -0.613 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@@H]3CC[C@H](O)[C@H]3C2)C1=O 345499529 SXTCMICDLMVEJK-DCAQKATOSA-N 321.333 -0.808 30 20 DBED C=CCOC[C@@H]1NC(=O)N(C[C@H](C)CN2CCN(C)CC2)C1=O 348433091 TUHWFDVDXZDVRI-KGLIPLIRSA-N 324.425 -0.007 30 20 DBED COCCCn1ccc(NC(=O)NCCn2cnc(C#N)n2)n1 349662911 CTONWWJZAWITCT-UHFFFAOYSA-N 318.341 0.204 30 20 DBED COC(=O)C1(CS(=O)(=O)NCC(=O)NCC#N)CCCC1 349882338 YISRJWBUBLTTKB-UHFFFAOYSA-N 317.367 -0.721 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCNC(C)(C)C2)C1=O 357346324 VNYXVFUBTOSHLM-UHFFFAOYSA-N 308.338 -0.826 30 20 DBED COCC(COC)N1CCN(S(=O)(=O)CCCC#N)CC1 416567703 GFZALFDAQCDQKX-UHFFFAOYSA-N 319.427 -0.101 30 20 DBED N#CCCNC(=O)N1CCN(c2ncccc2C(N)=O)CC1 426418878 IPFADOSIWDSROF-UHFFFAOYSA-N 302.338 -0.074 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCNC[C@H]2C)C1=O 432510317 QAXPUKMMOZYWAX-ZJUUUORDSA-N 308.338 -0.923 30 20 DBED CCC[C@](C)(O)CNC(=O)C(=O)Nc1ccn(CCC#N)n1 444574474 VPMXSZRPENAMMM-AWEZNQCLSA-N 307.354 0.403 30 20 DBED C=C[C@@H]1OCCC[C@H]1NC(=O)NCCNS(=O)(=O)CC 454472115 PGPNJSJQGDYWRG-MNOVXSKESA-N 305.400 -0.042 30 20 DBED C#C[C@H](NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)C(C)C 490950840 TYZUPPKOHBZWKD-NSHDSACASA-N 323.440 -0.944 30 20 DBED C[C@@H](C#N)CN(C)S(=O)(=O)N(CCO)[C@H](C)CC(=O)O 515487541 JUJSPPWFOQXNQP-VHSXEESVSA-N 307.372 -0.520 30 20 DBED CN1CCN(C(=O)C(=O)NCc2cccc(C#N)c2)CC1=O 580342249 VHSACZQUKBYKSX-UHFFFAOYSA-N 300.318 -0.525 30 20 DBED N#Cc1ccccc1S(=O)(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 594874763 TWZPLYDIJTWAFU-RYUDHWBXSA-N 320.374 -0.509 30 20 DBED CC(C)CC[C@@H](CO)NS(=O)(=O)N1CCO[C@H](C#N)C1 599410395 JUIZEPKNURNBHL-NWDGAFQWSA-N 305.400 -0.158 30 20 DBED C=CCNC(=O)CNC(=O)[C@@H](C)n1cnc2c(N)ncnc21 613293192 PZXYZPLUZCFDSH-MRVPVSSYSA-N 303.326 -0.612 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2Cc3cccnc3C2)C1=O 670381222 GGOJLXRTDWBLSY-UHFFFAOYSA-N 314.301 -0.099 30 20 DBED N#C[C@H]1COCCN1C(=O)COc1ccccc1-c1nn[nH]n1 737684897 QSHRDGBNHZNFNR-JTQLQIEISA-N 314.305 -0.004 30 20 DBED C#CCNC(=O)CN1CCN(CCS(=O)(=O)C(C)C)CC1 749791196 XREBBRZVGQDUNQ-UHFFFAOYSA-N 315.439 -0.823 30 20 DBED C#CCNCC(=O)N(CCCOC)[C@@H]1CCS(=O)(=O)C1 779323584 RJBJGZYSTRJFEH-GFCCVEGCSA-N 302.396 -0.739 30 20 DBED C=CCS(=O)(=O)CCNC(=O)CS(=O)(=O)C(C)(C)C 783541418 FFYUGINQXHRQRM-UHFFFAOYSA-N 311.425 -0.083 30 20 DBED N#Cc1ccc(N2CCN(C(=O)C(=O)NCC(F)F)CC2)cn1 801287445 YDVJZVXYJONNKU-UHFFFAOYSA-N 323.303 -0.017 30 20 DBED C#CCOc1ccc(NC(=O)C(=O)NCC(=O)N(C)OC)cc1 817401867 LGZDBCCDWPXKBP-UHFFFAOYSA-N 319.317 -0.227 30 20 DBED C=CCNC(=O)COC(=O)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 823925563 MEPOMKFYUUDJNC-LBPRGKRZSA-N 317.305 -0.255 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(C)nn2)CC1 831580126 ZRLVFOFACVAYET-UHFFFAOYSA-N 323.378 -0.990 30 20 DBED C#C[C@H](NC(=O)C(=O)N1C[C@@H]2CCC[C@H](N)[C@H]2C1)[C@H]1CCCO1 842161778 COBCIAMCCSKHSQ-YYFQZIEXSA-N 319.405 -0.131 30 20 DBED C#CC[C@@H](CCOC)NS(=O)(=O)N1CCO[C@H](C#N)C1 859423615 HGJDNYLVKLOFJZ-NWDGAFQWSA-N 301.368 -0.526 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)NN2CCC[C@H]2COC)C1=O 862600995 FPHVQRZRIASFIL-JTQLQIEISA-N 324.337 -0.895 30 20 DBED C#CCNC(=O)C1CCN(C(=O)N[C@@H]2COCC[C@H]2OC)CC1 898085664 PJOFCGSHXJHXPG-ZIAGYGMSSA-N 323.393 -0.039 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@H](NC(=O)c2cn3c(n2)COCC3)C1 941289460 PAGNEKRLFRSHSE-GHMZBOCLSA-N 317.349 -0.096 30 20 DBED C#Cc1cncc(C(=O)N2CCCC[C@H](NC(=O)C(N)=O)C2)c1 943490120 ZBXCEPAUFFKVPU-ZDUSSCGKSA-N 314.345 -0.341 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2nc(O)nc(O)c2OC)[C@H](C)C1 944135263 JMVCBMDOBJVQLC-NXEZZACHSA-N 320.349 -0.030 30 20 DBED Cc1nn[nH]c1C(=O)NC[C@@H]1CN(C(=O)[C@@H](C)C#N)CCO1 944700223 VXCXLNWEFDNEHC-WCBMZHEXSA-N 306.326 -0.770 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(CC1)CN(C(=O)Cn1cnnn1)C2 945030028 GVWCAMKZVKZISD-NSHDSACASA-N 317.353 -0.716 30 20 DBED CN1CCOC[C@@H]1C(=O)N[C@H]1CCCN(C(=O)C#CC2CC2)C1 950759607 UDTPISISONUHPM-LSDHHAIUSA-N 319.405 -0.162 30 20 DBED Cc1nn[nH]c1C(=O)NC[C@@H]1CCN1C(=O)c1cc(C#N)c[nH]1 951441840 GRKNTKVMVLWJGC-JTQLQIEISA-N 313.321 -0.043 30 20 DBED C#Cc1ccc(C(=O)N[C@@H]2CCCN(C(=O)C(N)=O)C2)nc1 951854522 ZHPZNCHSJHFAMR-LLVKDONJSA-N 300.318 -0.731 30 20 DBED CN(C(=O)c1ccc(C#N)[nH]1)C1CN(C(=O)c2cn(C)nn2)C1 954080067 TWUFODQYAAFJQE-UHFFFAOYSA-N 313.321 -0.389 30 20 DBED C[C@H](C#N)C(=O)N1CC(N(C)C(=O)c2ccc(C(N)=O)nc2)C1 954669567 YGJLIYMSFXRMDQ-SECBINFHSA-N 315.333 -0.377 30 20 DBED C[C@@H]1C[C@H](NC(=O)Cn2ncnn2)CCN1C(=O)C#CC1CC1 955675802 QNFUDSNQFXQSAM-DGCLKSJQSA-N 316.365 -0.418 30 20 DBED C#CCN1C[C@@H](O)[C@H](CNC(=O)c2cc(OC)nc(OC)c2)C1 958219628 LHQDDIANYWRJMN-CHWSQXEVSA-N 319.361 -0.246 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](CNC(=O)c2cnc(O)n(C)c2=O)C1 958317410 WZXNMQMIFPUPQP-PWSUYJOCSA-N 322.365 -0.916 30 20 DBED Cn1nnc2ccc(C(=O)NC[C@H]3CN(CC#N)C[C@H]3O)cc21 958625319 JDDBSHRFUMXAFL-SMDDNHRTSA-N 314.349 -0.486 30 20 DBED CC#CCN1C[C@@H](O)[C@H](CNC(=O)C2CCN(C(C)=O)CC2)C1 958658286 XNQVXEFYXSGABX-HZPDHXFCSA-N 321.421 -0.323 30 20 DBED C[C@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1ccon1 960080301 RGTUNNGOCFCKBK-ADEWGFFLSA-N 304.306 -0.114 30 20 DBED CO[C@H]1C[C@H](C(=O)NC2[C@H]3CN(CC#N)C[C@H]23)N(C(C)=O)C1 961359198 PHGFVJZOAVWVNA-ZDEQEGDKSA-N 306.366 -0.808 30 20 DBED COc1ccc(C#N)cc1CN1C[C@@H]2C(NC(=O)C(N)=O)[C@H]2C1 961643413 WLVMNYWKOJKKID-RYUDHWBXSA-N 314.345 -0.401 30 20 DBED C=CCn1cc(C(=O)N[C@H]2CN(CC(N)=O)CC2(C)C)nn1 977275259 UPEWNDYJDXHNSN-NSHDSACASA-N 306.370 -0.610 30 20 DBED N#CCN1C[C@H]2[C@H](CNC(=O)c3ccc4nnc(O)n4c3)[C@H]2C1 978854054 JSHOFFJVEKQRQE-CNDDSTCGSA-N 312.333 -0.134 30 20 DBED C=C(C)CN(C)[C@@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 980425695 DRDAHSJHPLZFNO-VXGBXAGGSA-N 301.412 -0.213 30 20 DBED Cc1nc(C(=O)N2CCCN(CC#N)CC2)nn1-c1nc[nH]n1 981721547 HKGOFNWRKOHKHT-UHFFFAOYSA-N 315.341 -0.635 30 20 DBED COCCn1nc(C(=O)N2CC[C@H](NCC#N)[C@H]2C)ccc1=O 986512775 BUMIDQWWUHEYKG-NEPJUHHUSA-N 319.365 -0.394 30 20 DBED CCn1ncc(C(=O)NC2CN(C(=O)c3cc(C#N)c[nH]3)C2)n1 991184679 TUQJWXTVCKMDHW-UHFFFAOYSA-N 313.321 -0.248 30 20 DBED C#CCN1CCC[C@H](NC(=O)c2cn(C)c(=O)nc2O)[C@@H]1C 994415681 OPAIFZMRCWDLAT-JQWIXIFHSA-N 304.350 -0.298 30 20 DBED Cc1nc(C(=O)NC2CN(C(=O)[C@@H](C)C#N)C2)c(=O)[nH]c1C 994503246 VPJNLZBYWZCHDY-ZETCQYMHSA-N 303.322 -0.513 30 20 DBED COc1c(O)nc(O)nc1C(=O)N1C[C@H](NCC#N)C(C)(C)C1 996514274 VVZSVSXFJIFTGV-QMMMGPOBSA-N 321.337 -0.140 30 20 DBED C[C@@H]1C[C@H](C(=O)NCC2CN(C(=O)C#CC3CC3)C2)CC(=O)N1 1003002445 WZTXNQZLSOUTSY-RISCZKNCSA-N 317.389 -0.111 30 20 DBED C[C@H]1CCN(C(=O)CC(N)=O)C[C@@H]1NC(=O)c1cc(C#N)c[nH]1 1004675178 VWAMLSMQUIWKDS-CABZTGNLSA-N 317.349 -0.271 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H](NC(=O)Cn2cncn2)C(C)(C)C1 1008613682 FJABMWOTTALRCY-QWRGUYRKSA-N 304.354 -0.209 30 20 DBED N#Cc1cccc(CN2CC[C@H](NC(=O)Cn3cnnn3)C2)c1 1010091312 BLSPIQYMSWKPBU-AWEZNQCLSA-N 311.349 -0.065 30 20 DBED O=C1CC[C@H](CC(=O)N2CCN(C(=O)C#CC3CC3)CC2)CN1 1011110253 RLRJQQDOZUBDLY-CQSZACIVSA-N 317.389 -0.013 30 20 DBED O=C(NC1[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]12)C1=COCCO1 1012721281 BUKZMAYTTASBQM-VXGBXAGGSA-N 302.330 -0.139 30 20 DBED Cc1ncnc(O)c1C(=O)NC1[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]12 1013620729 QBVGLPNRQIYTFY-SZEHBUNVSA-N 315.333 -0.163 30 20 DBED N#Cc1ccccc1CN1CC[C@H](NC(=O)Cn2ncnn2)C1 1014428609 LNUULNPURPYJMS-AWEZNQCLSA-N 311.349 -0.065 30 20 DBED CC#CCN1CC[C@H](NC(=O)CN2CCCCS2(=O)=O)C1 1015289795 LHLXRGMBCUTPSC-ZDUSSCGKSA-N 313.423 -0.374 30 20 DBED COCCn1cc(C(=O)N2CC[C@H](NCC#N)C2)ccc1=O 1019083900 QBWNFIRKRUABEL-ZDUSSCGKSA-N 304.350 -0.178 30 20 DBED C[C@H](C#N)C(=O)N1CC2(CCN(C(=O)C(C)(C)C(N)=O)C2)C1 1019367038 OLSMCRLWGRUFQC-SNVBAGLBSA-N 306.366 -0.282 30 20 DBED C=CCn1cc(C(=O)N2CCCO[C@H](CNC(C)=O)C2)nn1 1019502440 GJEUSNMEQNVURA-GFCCVEGCSA-N 307.354 -0.169 30 20 DBED C=C(C)CN[C@H]1C[C@@H](NC(=O)C2CC3(C2)NC(=O)NC3=O)C1 1022841803 HUMIUNVMBJTERS-HTJOTKDVSA-N 306.366 -0.213 30 20 DBED CCc1nc(C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2O)co1 1023469065 QSZZYYLWLUYQRP-DGCLKSJQSA-N 317.345 -0.048 30 20 DBED COCCN1C[C@H](C(=O)N2CCC[C@@H](N(C)CC#N)C2)CC1=O 1027431930 ORNOYVVTSUUVFV-ZIAGYGMSSA-N 322.409 -0.072 30 20 DBED N#CCN1CCC[C@H]1CNC(=O)c1cn([C@@H]2CCOC2)nn1 1028250939 OKDIRGXDNASRRV-NWDGAFQWSA-N 304.354 -0.043 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2CCN([C@@H](C)C(N)=O)C2)nn1 1028850904 ANWCWMBUZSIODQ-WDEREUQCSA-N 306.370 -0.610 30 20 DBED C#Cc1ccc(C(=O)NC2CN(Cc3nc(=O)n(C)[nH]3)C2)cn1 1031277700 OEZRUUNOJLLKNM-UHFFFAOYSA-N 312.333 -0.901 30 20 DBED N#CCN1CCO[C@@H](CNC(=O)c2cnn3ccncc23)C1 1035396803 SNTPACDWIDJRQE-NSHDSACASA-N 300.322 -0.317 30 20 DBED C=CCN1CCO[C@@H](CNC(=O)c2cccc(C(N)=O)n2)C1 1035623779 FDHNWRJBPZSARQ-NSHDSACASA-N 304.350 -0.203 30 20 DBED C[C@@H](C#N)C(=O)N1CCC2(CC1)CN(Cc1nnnn1C)C2 1035672845 JSEVWWWUGSNHMH-NSHDSACASA-N 303.370 -0.206 30 20 DBED C#CCN1CC[C@H]2CN(C(=O)c3cn(C)c(=O)nc3O)CC[C@H]21 1036893245 NYAGRGRSITZVEX-WCQYABFASA-N 316.361 -0.345 30 20 DBED C=C(Cl)CN1C[C@H]2C[C@H]1[C@H]2NC(=O)Cn1c(O)nnc1O 1037700244 QEODXKJKGSAHDO-WEDXCCLWSA-N 313.745 -0.369 30 20 DBED O=C(C#CC1CC1)NC[C@]1(O)CCN(C(=O)c2cc[nH]n2)C1 1039676995 CHDINFHFAKRJEQ-OAHLLOKOSA-N 302.334 -0.484 30 20 DBED Cc1c[nH]cc1C(=O)N1CC(O)(CNC(=O)CSCC#N)C1 1041571070 WCNSPESJQWAGRC-UHFFFAOYSA-N 322.390 -0.117 30 20 DBED CC(C)(C)C#CC(=O)N1CC(O)(CNC(=O)c2cnns2)C1 1041697478 FVLZIAVCQMEEBX-UHFFFAOYSA-N 322.390 -0.109 30 20 DBED C=CCOCC(=O)NCC1(O)CN(C(=O)[C@@H]2CO[C@@H](C)C2)C1 1042053050 ZCGQJIXPAKAPDP-RYUDHWBXSA-N 312.366 -0.697 30 20 DBED C#CCN1CC[C@@H]2CCN(C(=O)CC3CS(=O)(=O)C3)C[C@@H]21 1042122602 ONPSTEBXMWLKGS-KGLIPLIRSA-N 310.419 -0.023 30 20 DBED C#CCCCC(=O)NCC1(O)CN(C(=O)c2ccnnc2)C1 1042800870 ALORYJZKFWMKKC-UHFFFAOYSA-N 302.334 -0.417 30 20 DBED C=CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)CCOC)C1 1043570626 JUJDUFKPMVHGJJ-LLVKDONJSA-N 300.355 -0.697 30 20 DBED CCOc1nc(C(=O)NCC2(O)CN(C(=O)[C@H](C)C#N)C2)co1 1043977960 OKUHQUFHXUGPKP-SECBINFHSA-N 322.321 -0.464 30 20 DBED COCc1ccc(C(=O)N2CC(O)(CNC(=O)[C@@H](C)C#N)C2)o1 1045555305 PQPBSKWIOJGDAD-JTQLQIEISA-N 321.333 -0.111 30 20 DBED CC#CCN1CC[C@@H](N2CCN(C(=O)c3ncn(C)n3)CC2)C1 1046026591 ZZBWRLRYSPWZEW-CQSZACIVSA-N 316.409 -0.330 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CCCC(=O)N2)C1 1047450196 AOZUTGGQOSLONJ-RDBSUJKOSA-N 307.394 -0.428 30 20 DBED C[C@H](NCc1nc(=O)n(C)[nH]1)[C@@H]1CCN(C(=O)C#CC2CC2)C1 1047849126 PPBIDZLVOWOKLH-WCQYABFASA-N 317.393 -0.152 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCOCC#C)C1 1048847193 CWHLVSPSLUJWKY-GJZGRUSLSA-N 320.389 -0.140 30 20 DBED CC(C)C#CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)CC(N)=O)C1 1049168937 RLKSAEAPEFOYCQ-AGIUHOORSA-N 323.393 -0.813 30 20 DBED C=CCN1CC[C@H](NC[C@H]2CC[C@H](NC(=O)C(N)=O)CC2)C1=O 1050360635 SCQINGZIOUZZLT-AVGNSLFASA-N 322.409 -0.477 30 20 DBED C#CCCCC(=O)N1CCC[C@](CO)(NC(=O)CC(=O)NC)C1 1055901338 FCEGMCZIEYPGAW-INIZCTEOSA-N 323.393 -0.604 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC[C@H]2[C@H]1CCCN2C(=O)CC(N)=O 1056324009 JKABHEUSJRRWAR-WQGACYEGSA-N 323.393 -0.219 30 20 DBED Cn1cncc1C(=O)NC1[C@@H]2CN(c3cncc(C#N)n3)C[C@@H]12 1056335416 IIZUTAKKFAPGHO-GHMZBOCLSA-N 309.333 -0.054 30 20 DBED Cn1nnc(C(=O)NC2[C@H]3CN(c4ccc(C#N)nc4)C[C@H]23)n1 1056372912 QFVLHKUATFLJLQ-QWRGUYRKSA-N 310.321 -0.659 30 20 DBED CN1C[C@H](C(=O)N2CC[C@@H](Nc3cnc(C#N)cn3)C2)CC1=O 1056805284 PASYAGOPPWBCAI-GHMZBOCLSA-N 314.349 -0.161 30 20 DBED N#Cc1cnc(NC2CCN(C(=O)[C@H]3COC(=O)N3)CC2)cn1 1057320494 IKLFRPDDMFMHIX-LLVKDONJSA-N 316.321 -0.140 30 20 DBED C=CCCOCC(=O)NCCN(CCO)C(=O)c1cn(C)cn1 1057347055 LSQVCJDIKVAGEC-UHFFFAOYSA-N 324.381 -0.437 30 20 DBED C#CCO[C@H](C)C(=O)NCCN(CCO)C(=O)C1=CCOCC1 1057411781 PENIPKPJQYRRPV-CYBMUJFWSA-N 324.377 -0.692 30 20 DBED CC(C)C#CC(=O)N(CCO)CCNC(=O)[C@@H]1C[C@H]2C=C[C@H]1O2 1057524680 MVUVABAESYMZQB-RBSFLKMASA-N 320.389 -0.074 30 20 DBED C=CCn1cc(C(=O)N(CCO)CCNC(=O)/C(C)=C/C)nn1 1057625891 JQPKNHDQDNRSLD-LFYBBSHMSA-N 321.381 -0.019 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)CCc1ccon1 1058089072 OYNDLYCFJWVNJL-LLVKDONJSA-N 308.338 -0.296 30 20 DBED C=CC(C)(C)C(=O)N(CCO)CCNC(=O)c1cnc(O)n1C 1058305991 PQICMNUHAXWETI-UHFFFAOYSA-N 324.381 -0.111 30 20 DBED CC[C@@H]1OCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@H](C)C#N 1058338277 DSTXPWOMYXCJJZ-UPJWGTAASA-N 311.382 -0.102 30 20 DBED C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)CCc1nccn1C 1058354591 QMNWMLKZCZEEMI-LBPRGKRZSA-N 321.381 -0.551 30 20 DBED N#Cc1nccnc1N1CC[C@@H](NC(=O)[C@@H]2CCNC2=O)C1 1058507754 MFNRYNGRJPPHGZ-NXEZZACHSA-N 300.322 -0.821 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)C[C@H]1CCN(C)C1 1058654689 FKIPUPYNAGWUAC-QWHCGFSZSA-N 310.398 -0.575 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)CCCN1CCCC1 1058660741 HFNAPEUBSFTXAE-CQSZACIVSA-N 324.425 -0.041 30 20 DBED CN1C[C@H](C(=O)N2CC[C@H](Nc3cncc(C#N)n3)C2)CC1=O 1059097853 RNOYOWYYMATSFV-MNOVXSKESA-N 314.349 -0.161 30 20 DBED N#Cc1nccnc1NC[C@@H]1CCCN(C(=O)CC(N)=O)C1 1060009089 ILLYJSREBBUEDI-JTQLQIEISA-N 302.338 -0.126 30 20 DBED C#CCOCCC(=O)N1CCOC[C@H]1CNC(=O)[C@H]1CCCO1 1061247178 BWUYEKHZUUOUAP-ZIAGYGMSSA-N 324.377 -0.451 30 20 DBED C#CCNC(=O)CC(=O)N1CCOC[C@@H]1CNC(=O)C(C)C 1061297140 ATFXDUHMITYESX-LBPRGKRZSA-N 309.366 -0.875 30 20 DBED C=CCCC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1CCNC1=O 1061402926 ZNQGTQCTDQRNPT-VXGBXAGGSA-N 309.366 -0.568 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@H]1COCCN1C(=O)c1cn[nH]c1 1061543890 WUDAYIWMJVOQHQ-SWLSCSKDSA-N 322.365 -0.306 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)c1cccc(O)n1 1061845218 FKHJXXOXUUSJAE-MNOVXSKESA-N 318.333 -0.096 30 20 DBED CCn1nncc1C(=O)N1CCOC[C@H]1CNC(=O)[C@H](C)C#N 1061846638 GEVJDUIUWVHXQN-GHMZBOCLSA-N 320.353 -0.585 30 20 DBED C#CCOCCC(=O)N1CCCC[C@@H]1CNC(=O)CC(N)=O 1062211738 WVVOEGLATLMIHR-GFCCVEGCSA-N 309.366 -0.601 30 20 DBED N#Cc1cnccc1N1C[C@H]2C[C@H]1[C@@H]2NC(=O)Cn1ncnn1 1064298150 UEWMKHWJZOVXAJ-LJWDBELGSA-N 310.321 -0.667 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)CNC(=O)OC)CCO1 1064916176 USZVLMKBPWHYGS-LLVKDONJSA-N 313.354 -0.348 30 20 DBED C=CCOCC(=O)N1CCO[C@H](CNC(=O)[C@@H]2CCOC2)C1 1064972635 YXRVVWXCJDQMCM-CHWSQXEVSA-N 312.366 -0.431 30 20 DBED C=CCCC1(C(=O)NC[C@@H]2CN(C(=O)CC(N)=O)CCO2)CC1 1064998968 NWFZLAOMHHDVKG-GFCCVEGCSA-N 323.393 -0.048 30 20 DBED C#CCNC(=O)CC(=O)N1CCO[C@@H](CNC(=O)C(C)(C)C)C1 1065065358 PJKGHAIPUISWGP-LBPRGKRZSA-N 323.393 -0.484 30 20 DBED C=CCOCC(=O)N[C@@H]1CCCN(C(=O)CNC(C)=O)CC1 1065985458 QHDVPVOIRDFVGR-CYBMUJFWSA-N 311.382 -0.178 30 20 DBED C=CCOCC(=O)N[C@H]1CCCN(C(=O)[C@@H]2CNC(=O)N2)CC1 1065988002 WHXBKBWRWUTPHN-RYUDHWBXSA-N 324.381 -0.632 30 20 DBED Cc1nn[nH]c1C(=O)N1C[C@@H]2CN(c3cncc(C#N)n3)C[C@@H]2C1 1066050707 LUDQEGDJXZZEAR-PHIMTYICSA-N 324.348 -0.017 30 20 DBED N#Cc1nccc(N2CC[C@H]3[C@H]2CCCN3C(=O)CC(N)=O)n1 1066126329 FHEWZQRZTCLPPK-MNOVXSKESA-N 314.349 -0.207 30 20 DBED CN(CCCN(C)C(=O)[C@H]1C[C@H]1C(N)=O)C(=O)C#CC1CC1 1067377952 NMASGGOITLCSFH-OLZOCXBDSA-N 305.378 -0.172 30 20 DBED C=CCCC(=O)N1CCOC2(C1)CN(C(=O)[C@@H]1CCC(=O)N1)C2 1068346172 JHCITTRGRFOTEQ-LBPRGKRZSA-N 321.377 -0.329 30 20 DBED C[C@@H]1[C@@H](N=c2cc[nH]cc2C#N)CCN1C(=O)Cn1ncnn1 1068901280 OQJOCJYNMIRUED-PWSUYJOCSA-N 312.337 -0.537 30 20 DBED Cc1nonc1C(=O)N1CC2(C[C@@H](NC(=O)[C@@H](C)C#N)CO2)C1 1069009024 WWVXZUGFESKEDE-WCBMZHEXSA-N 319.321 -0.363 30 20 DBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H](C)n2cncn2)C1 1069912071 MBTFONNNJIPBDQ-XQQFMLRXSA-N 314.353 -0.895 30 20 DBED Cc1ncc(C(=O)N[C@@H]2CN(CC#N)C[C@@H]2n2ccnn2)n1C 1070007911 GNXKGZQIXHSSQY-YPMHNXCESA-N 314.353 -0.501 30 20 DBED C=C(C)CN[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2)C[C@@H]1n1ccnn1 1070158471 LTLKHVHVDGBCKU-UPJWGTAASA-N 318.381 -0.526 30 20 DBED C#CCNC(=O)CC(=O)N1CCC[C@@H](NC(=O)[C@H](CC)OC)C1 1070636444 XKODNZYGLGZANJ-OLZOCXBDSA-N 323.393 -0.342 30 20 DBED C=CCO[C@H](C)C(=O)N1CCC[C@@H](NC(=O)CNC(C)=O)C1 1070902390 FDJDXYVVCYHJKM-DGCLKSJQSA-N 311.382 -0.179 30 20 DBED C#CCN1CCNC(=O)CCN(C(=O)c2n[nH]c(C)c2C)CC1 1070949796 YEYVUBMPJAEASD-UHFFFAOYSA-N 317.393 -0.076 30 20 DBED C[C@H]1CN(C(=O)CSCC#N)C[C@H]1NC(=O)c1cnon1 1071662261 TWVBMCDWKRHTHJ-WCBMZHEXSA-N 309.351 -0.097 30 20 DBED C#CCN1CCCO[C@H](CNC(=O)c2nccnc2C(N)=O)C1 1073880784 SPRQSXTUHUYZRP-LLVKDONJSA-N 317.349 -0.971 30 20 DBED N#CCN1CCO[C@@H]2CCN(C(=O)c3cc4n(n3)CCO4)C[C@H]21 1074266880 SQURPBNDXHOYHF-CHWSQXEVSA-N 317.349 -0.286 30 20 DBED Cn1cc(C(=O)N2CC[C@H]3OCCN(CC#N)[C@@H]3C2)ccc1=O 1074284309 NDIWDWUPOCJUKX-ZIAGYGMSSA-N 316.361 -0.176 30 20 DBED C[C@H](C#N)C(=O)N1CCC(O)(CNC(=O)c2cnccn2)CC1 1074703559 JJMNSKNOBJCJBU-LLVKDONJSA-N 317.349 -0.280 30 20 DBED C=CCOCC(=O)NCC[C@H](C)NC(=O)Cn1cnnc1O 1075917940 OUOCVFDXQGHYMB-JTQLQIEISA-N 311.342 -0.803 30 20 DBED C#CCOc1ccc(C(=O)N[C@@H]2CN(CCCO)C[C@H]2O)cc1 1077797671 APHQTYKRAIZQNT-HZPDHXFCSA-N 318.373 -0.144 30 20 DBED CCN(C(=O)CSCC#N)C1CN(C(=O)CC(=O)NC)C1 1079341930 STEOBZMDBKYBHD-UHFFFAOYSA-N 312.395 -0.561 30 20 DBED Cc1cc(C(=O)N2CCC(CO)(NC(=O)[C@H](C)C#N)CC2)n[nH]1 1080979761 AFNIVTMAHXXYJT-SNVBAGLBSA-N 319.365 -0.039 30 20 DBED COCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CSCC#N)C1 1081286714 OLDWOLLOWJINQJ-WDEREUQCSA-N 315.395 -0.785 30 20 DBED C#CCCCC(=O)NC[C@@H]1CN(C(=O)c2cnon2)C[C@@H]1O 1081439238 NRPKQYJLAYBTAI-PWSUYJOCSA-N 306.322 -0.578 30 20 DBED C=CCCC(=O)N1C[C@H](CNC(=O)c2ccn(C)n2)[C@@H](O)C1 1081497068 RZWDYKYCSJACGC-AAEUAGOBSA-N 306.366 -0.065 30 20 DBED C#CCC1(C(=O)NC[C@@H]2CN(C(=O)COC)C[C@H]2O)CCC1 1081536627 PVYWSAPJMCOVRX-CHWSQXEVSA-N 308.378 -0.238 30 20 DBED C=CCOCC(=O)NC[C@@H]1CCCCN1C(=O)[C@H]1C[C@H]1C(N)=O 1082298423 XROQERRRXSNJOU-XQQFMLRXSA-N 323.393 -0.192 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2cnn3cc(OC)ccc23)C1 1083866914 NTCMAUQRQRVHQJ-HIFRSBDPSA-N 314.345 -0.249 30 20 DBED CN1CC(=O)N(CC(=O)N2CCCCC[C@H](NCC#N)C2)C1=O 1088423654 YPDSPSYBEKGJOS-LBPRGKRZSA-N 321.381 -0.235 30 20 DBED C#CCN1CC[C@H](NC(=O)[C@H]2C[C@H](OC)CN2C(C)=O)[C@H]1C 1088771881 CFQBQHWMNPXVIB-UQOMUDLDSA-N 307.394 -0.166 30 20 DBED COCC(=O)N[C@@H]1CN(c2nc(C#N)c(Cl)s2)C[C@H]1O 1090365247 LUGUNRQMRXTWJQ-HTQZYQBOSA-N 316.770 -0.020 30 20 DBED CO[C@@H](C)CC(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1O 1090395582 OQTLFZLQZYDIHM-MVWJERBFSA-N 305.338 -0.561 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2cnc3c(cnn3C)c2)[C@@H](O)C1 1090679719 PTDVIWIDFRQUSP-KGLIPLIRSA-N 313.361 -0.234 30 20 DBED N#Cc1ccc(NCCNC(=O)CNC(=O)C2CCC2)nn1 1093673645 XIMYUVGNXFQDHP-UHFFFAOYSA-N 302.338 -0.207 30 20 DBED N#Cc1nccnc1NCCNC(=O)c1cn2c(n1)COCC2 1094229124 CNZJDLKJOUXCEG-UHFFFAOYSA-N 313.321 -0.083 30 20 DBED Cn1cc(C(=O)NCCCNc2cncc(C#N)n2)n(C)c1=O 1094464044 HOUZMMHZRWGHSS-UHFFFAOYSA-N 315.337 -0.383 30 20 DBED C#CCCN1CC(N2C[C@H](NC(=O)[C@H]3CCCN3C)CC2=O)C1 1094714645 YXOVHWBUHPJOLT-UKRRQHHQSA-N 318.421 -0.495 30 20 DBED C#CCNC(=O)CC(=O)NCCCN(C)c1cnc(C#N)cn1 1095541385 VITDXDYRNCGSAC-UHFFFAOYSA-N 314.349 -0.570 30 20 DBED CN(CCCNC(=O)C1CS(=O)(=O)C1)c1cnc(C#N)cn1 1095649925 YATPLDMMHSKCPK-UHFFFAOYSA-N 323.378 -0.665 30 20 DBED CC(=O)N[C@H](C)C(=O)N[C@@H]1CCN(c2nc(C)cc(C#N)n2)C1 1096316907 KDDATTWSJQAGQH-ZYHUDNBSSA-N 316.365 -0.124 30 20 DBED CNC(=O)NCCC(=O)N[C@@H]1CCN(c2cncc(C#N)n2)C1 1096369216 VEFUEDSQGIIEDV-SNVBAGLBSA-N 317.353 -0.638 30 20 DBED C[C@H](CC(=O)N[C@H]1C[C@@H](N=c2cc[nH]c(C#N)n2)C1)NC(N)=O 1097225480 YKFIQIUNJBURHA-BBBLOLIVSA-N 317.353 -0.724 30 20 DBED CNC(=O)CC(=O)NC[C@H]1CCCCN1c1cnc(C#N)cn1 1097421715 SLEGQHNLJXORNC-GFCCVEGCSA-N 316.365 -0.041 30 20 DBED C[C@@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)Nc1ncccc1C#N 1098213813 PZHCCGXVNWTQCZ-ONGXEEELSA-N 302.338 -0.107 30 20 DBED Cc1cc(C#N)nc(N[C@@H](C)CCNC(=O)CNC(N)=O)n1 1098781179 BNPRCMZXFTZNQG-QMMMGPOBSA-N 305.342 -0.368 30 20 DBED C[C@H](CCNC(=O)[C@H]1CN(C)C(=O)N1)Nc1nccnc1C#N 1099617587 VZRWSHLGUDCADF-MWLCHTKSSA-N 317.353 -0.321 30 20 DBED C#CCNC(=O)CN1CC[C@@H](NC(=O)c2ccc(C)o2)[C@@H](O)C1 1099641779 HUCKWHPOYWSXHR-OLZOCXBDSA-N 319.361 -0.498 30 20 DBED N#Cc1ccc(CN2CC[C@@H](NC(=O)CC(N)=O)[C@H](O)C2)cc1 1099758880 ZDOUYUDLXGNOBX-ZIAGYGMSSA-N 316.361 -0.515 30 20 DBED Cn1nccc1CN1CC[C@@H](NC(=O)C#CC2CC2)[C@H](O)C1 1099823938 MHVUODSANDEQTP-HUUCEWRRSA-N 302.378 -0.115 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)c2conc2C)[C@@H](O)C1 1099978163 AYNTVZCPOULRAZ-OLZOCXBDSA-N 322.365 -0.550 30 20 DBED N#CCN1CC[C@H](NC(=O)CCc2nc(C3CC3)no2)[C@H](O)C1 1100027706 VVSZXNRHWHEBEA-NWDGAFQWSA-N 319.365 -0.045 30 20 DBED N#CCN1CC[C@@H](NC(=O)CCCCN2CCOCC2)[C@@H](O)C1 1100035210 YSVDJOZHXUNBGE-CABCVRRESA-N 324.425 -0.436 30 20 DBED C#CCN1CC[C@H](NC(=O)CNC(=O)CC(C)(C)C)[C@H](O)C1 1100119273 HNUIKBGHKIVKIM-QWHCGFSZSA-N 309.410 -0.277 30 20 DBED CCN(CCNC(=O)[C@H]1CCCNC1=O)c1cnc(C#N)cn1 1100639944 DHQLTWGXJSPWGE-LBPRGKRZSA-N 316.365 -0.183 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H]1CCN(c2ccnc(C)n2)C1 1100973521 GVKOVHMUKBZPEX-CYBMUJFWSA-N 315.377 -0.133 30 20 DBED N#Cc1ccc(N(CCNC(=O)Cn2ncnn2)C2CC2)nc1 1101391344 XHPFGOHTOUXTLF-UHFFFAOYSA-N 312.337 -0.275 30 20 DBED CNC(=O)NCC(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(C#N)n1 1102575214 NSJUNIIODBMZMG-UWVGGRQHSA-N 315.337 -0.933 30 20 DBED C[C@@H](CNC(=O)c1ncn(C)n1)CNc1cncc(C#N)n1 1103929180 QWSNBWKPSZPDDK-SECBINFHSA-N 300.326 -0.045 30 20 DBED CC(=O)N1CC(C(=O)NC[C@H](C)CNc2cnc(C#N)cn2)C1 1103942282 YULLGPJICWRWLY-SNVBAGLBSA-N 316.365 -0.009 30 20 DBED C#CCO[C@H](C)C(=O)NC[C@H]1CN(c2nccnc2F)CCO1 1104330218 KIKFRSVUBFPPBV-NEPJUHHUSA-N 322.340 -0.025 30 20 DBED C[C@H](CNc1nccnc1C#N)N(C)C(=O)CCNC(N)=O 1104565487 SOOYOJJHNGTSSB-SECBINFHSA-N 305.342 -0.335 30 20 DBED C[C@H](CNc1ccc(C#N)nn1)N(C)C(=O)[C@H]1C[C@H]1C(N)=O 1104826786 GLLLSCIEMKTPBV-IEBDPFPHSA-N 302.338 -0.272 30 20 DBED C#CCNCc1cn(C2CN(C(=O)CSCC#N)C2)nn1 1105171385 JOYPNXDXHFSZLK-UHFFFAOYSA-N 304.379 -0.359 30 20 DBED Cc1nc(N(C)CCN(C)C(=O)[C@H]2CNC(=O)N2)ccc1C#N 1105542806 VDJCUNQQZHAZJZ-GFCCVEGCSA-N 316.365 -0.162 30 20 DBED COC(=O)NCC(=O)NC[C@H](O)CNc1ccc(C#N)c(C)n1 1105723353 NDSSTRVKRPLDGH-LLVKDONJSA-N 321.337 -0.493 30 20 DBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)c2cnccn2)C[C@H]1C 1105776231 XMMFZNFFJPZFNJ-CHWSQXEVSA-N 315.377 -0.476 30 20 DBED CCN(CC)CC(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1 1105869683 YOXQUFUPKPDPFQ-NSHDSACASA-N 306.370 -0.999 30 20 DBED C=CCO[C@H](C)C(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1 1105891575 GRTVQHALLMXCSS-MNOVXSKESA-N 305.338 -0.750 30 20 DBED Cc1nc(C(=O)NC[C@@H](O)CN=c2cc[nH]c(C#N)n2)cs1 1106073195 QXMFLTYNZBDBAD-VIFPVBQESA-N 318.362 -0.262 30 20 DBED Cc1ccn(CC(=O)NC[C@@H](O)CN=c2cc[nH]cc2C#N)n1 1106110492 SHUFMQBSVHFQEO-ZDUSSCGKSA-N 314.349 -0.531 30 20 DBED CC[C@H](NC(C)=O)C(=O)NC[C@@H](O)CNc1cncc(C#N)n1 1106123032 IOABMIPQWPCFSG-RYUDHWBXSA-N 320.353 -0.848 30 20 DBED CCC(=O)N[C@@H](C)C(=O)NC[C@H](O)CN=c1cc[nH]cc1C#N 1106140824 PQUUKHJPGFUXHP-CMPLNLGQSA-N 319.365 -0.821 30 20 DBED C#CCNC(=O)CC(=O)N(CC)CCNc1cnc(C#N)cn1 1106730312 RPCRBHYWIXOMTQ-UHFFFAOYSA-N 314.349 -0.252 30 20 DBED CCN(CCN=c1cc(C)[nH]cc1C#N)C(=O)[C@H]1CNC(=O)N1 1106927886 ATKDENVISPNGNL-CYBMUJFWSA-N 316.365 -0.375 30 20 DBED N#Cc1cnc(NC/C=C\CNC(=O)[C@H]2COC(=O)N2)cn1 1107175482 LSYFYBLKTWCJTG-JWXWKVPASA-N 302.294 -0.459 30 20 DBED CC#CCN1CCO[C@](C)(CNC(=O)CCS(C)(=O)=O)C1 1108027231 PKDBHOTXIYWDAG-CQSZACIVSA-N 316.423 -0.349 30 20 DBED C[C@@H](CNc1ncccc1C#N)NC(=O)[C@@H]1CCS(=O)(=O)N1 1108391610 IQLLHYCDNFVAQS-ONGXEEELSA-N 323.378 -0.438 30 20 DBED C[C@@H](CNc1ccc(C#N)cn1)NC(=O)c1nnc(O)nc1O 1108782017 KNQKZBZBIZJMPA-ZETCQYMHSA-N 315.293 -0.220 30 20 DBED C[C@H](CN(C)c1nccnc1C#N)NC(=O)[C@H]1CN(C)C(=O)N1 1109194041 MKZBMCNAMQJKHU-MWLCHTKSSA-N 317.353 -0.687 30 20 DBED CN(CCCN=c1cc[nH]c(C#N)n1)C(=O)CCNC(N)=O 1109450646 ARSOUTRSFZCDQG-UHFFFAOYSA-N 305.342 -0.911 30 20 DBED CNC(=O)NCC(=O)N[C@@H](CNc1cnc(C#N)cn1)C1CC1 1110005681 ZFEOYFVAQZSEQY-NSHDSACASA-N 317.353 -0.416 30 20 DBED CC(=O)NCC(=O)N1CC[C@@H](N=c2cc[nH]c(C#N)n2)C[C@H]1C 1110499077 GIOMRNTZAIBXNC-ZYHUDNBSSA-N 316.365 -0.302 30 20 DBED COCCC(=O)N(C)[C@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O 1111167498 FATVJCZHKKBVDN-QWRGUYRKSA-N 305.338 -0.607 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CN(c2nccnc2C#N)C[C@@H]1O 1111176822 PRPRZZRUFBTNGE-USWWRNFRSA-N 300.322 -0.484 30 20 DBED N#Cc1nccnc1NCCN(CCO)C(=O)Cc1cc[nH]n1 1111443020 TUPZVOQOHOMLLY-UHFFFAOYSA-N 315.337 -0.453 30 20 DBED CNC(=O)NCC(=O)N1C[C@H](C)[C@@H](Nc2nccnc2C#N)C1 1112341019 XLGNFLUBPSIMDA-ONGXEEELSA-N 317.353 -0.464 30 20 DBED C[C@H]1C[C@@H](NC(=O)CNC(N)=O)CCN1c1cnc(C#N)cn1 1112456646 ASGSIWJHBDISIF-UWVGGRQHSA-N 317.353 -0.510 30 20 DBED CCOCC(=O)NC[C@H]1CN(c2ccnc(C#N)n2)C[C@H]1O 1112692836 SPRKXGSDYKGMMK-WDEREUQCSA-N 305.338 -0.702 30 20 DBED C[C@@H]1[C@H](C(=O)N2CCN(CC(=O)NCC#N)CC2)CCN1C 1112864585 RTKOSGYZLBJXPF-CHWSQXEVSA-N 307.398 -0.889 30 20 DBED CC[C@H]1CC[C@@H](C(=O)N2CCN(CC(=O)NCC#N)CC2)O1 1112902148 HQOOIIMKAAPYNA-STQMWFEESA-N 308.382 -0.272 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)c2cccnn2)CC1 1113450206 BRYDDRBOBHSGMN-GFCCVEGCSA-N 301.350 -0.628 30 20 DBED CC#CCN1CCN(C(=O)CCS(=O)(=O)N(C)C)CC1 1113674645 DDMLAYPIAOMLCG-UHFFFAOYSA-N 301.412 -0.565 30 20 DBED C[C@H](CNC(=O)C1CS(=O)(=O)C1)N(C)c1ncccc1C#N 1113734088 WJAVIIMZJCXBFB-SNVBAGLBSA-N 322.390 -0.061 30 20 DBED C#CCNC(=O)CC(=O)NC1[C@@H]2CN(Cc3nocc3C)C[C@@H]12 1114159301 CJBSUJASUKHICG-VXGBXAGGSA-N 316.361 -0.331 30 20 DBED Cc1cc(C(=O)NC2[C@H]3CN(CC(=O)NCC#N)C[C@H]23)cnn1 1114176459 UQVQKKUJXFNRST-RYUDHWBXSA-N 314.349 -0.915 30 20 DBED C#CCCCC(=O)NC1[C@H]2CN(CC(=O)NC(=O)NC)C[C@H]12 1114199484 VNOIVRRHELOUKD-QWRGUYRKSA-N 306.366 -0.708 30 20 DBED C[C@@H](C(=O)NC(N)=O)N1C[C@H]2[C@H](NC(=O)C#CC(C)(C)C)[C@H]2C1 1114245381 KHRFADAUZMEFIJ-MEWQQHAOSA-N 320.393 -0.334 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@H](CNc2ccc3nnnn3n2)C1 1114749430 WRRXOPPNIPCKPZ-OPRDCNLKSA-N 300.326 -0.014 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)c3cnc(OC)nc3)[C@@H]2C1 1115063661 SUVBVMLKZSMKKB-CHWSQXEVSA-N 316.361 -0.205 30 20 DBED N#Cc1ccc(NCCCOCCNC(=O)CNC(N)=O)cn1 1115387671 YUBPLYQBAGKVFV-UHFFFAOYSA-N 320.353 -0.444 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](CO)Nc1ncnc2c1ncn2C 1121211917 ASZJZXCDFJINKS-BDAKNGLRSA-N 303.326 -0.588 30 20 DBED COCC#CCNC1CC2(C1)CC(NC(=O)[C@H]1CCNC1=O)C2 1121516860 QSFVDSNAGVDGHL-XJIRZWNVSA-N 319.405 -0.211 30 20 DBED C=CCCCC(=O)NC[C@@H](CO)Nc1nccn2nnnc12 1122509266 ZQLOIPXLKFKZOP-JTQLQIEISA-N 305.342 -0.235 30 20 DBED Cc1c[nH]c(C(=O)NC[C@H](CO)N=c2cc[nH]cc2C#N)n1 1122688262 PPOANHIUVKLGOK-LLVKDONJSA-N 300.322 -0.391 30 20 DBED C[C@@H]1C[C@@H](Nc2cncc(C#N)n2)CN1C(=O)CNC(N)=O 1123148553 YHEGNDUIWRKWFG-RKDXNWHRSA-N 303.326 -0.582 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]cc1C#N)C(=O)c1ccnn1C 1124150532 UNWISHXJIPQDIN-LBPRGKRZSA-N 314.349 -0.346 30 20 DBED C[C@@H](C#N)C(=O)N(C)C[C@@H](O)CNc1ncnc2c1nnn2C 1124191475 MWHNAYBGSVCDBU-IUCAKERBSA-N 318.341 -0.851 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)C[C@@H](O)CNc1ncccn1 1124849477 GKVRLLOSKSEZEL-KBPBESRZSA-N 317.393 -0.195 30 20 DBED CN(C[C@H](O)CNc1cncc(C#N)n1)C(=O)c1cnn[nH]1 1124894436 BAMAAWZZSYJUHF-SECBINFHSA-N 302.298 -0.989 30 20 DBED CN(C[C@@H](O)CN(C)c1ncccc1C#N)C(=O)c1cnn[nH]1 1125368418 BMVQXSZSTZQREW-NSHDSACASA-N 315.337 -0.359 30 20 DBED CN(C[C@H](O)CN(C)c1ccc(C#N)nc1)C(=O)c1cnn[nH]1 1125373458 DDEGVVHEZCHYTF-GFCCVEGCSA-N 315.337 -0.359 30 20 DBED C#CCN1CCn2ncc(CNC(=O)[C@H](C)NC(N)=O)c2C1 1128312618 RPGFSPVUIXPDFQ-JTQLQIEISA-N 304.354 -0.995 30 20 DBED C=CCNC(=O)CNCCNC(=O)CCc1cc(OC)no1 1128374380 OSIMOQRKORTGSF-UHFFFAOYSA-N 310.354 -0.376 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)[C@H]1CC(=O)N(C(C)C)C1 1128643895 NGPJPOFAKAEQLY-STQMWFEESA-N 324.425 -0.360 30 20 DBED CCC[C@H](OC)C(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1 1129144641 PLTNQUZYMMWHOV-AGIUHOORSA-N 306.370 -0.042 30 20 DBED C=CCOCCN[C@@H]1CN(C(=O)[C@@H](C)OC)C[C@@H]1n1ccnn1 1129646003 IVQRVMKZPUZHDY-MCIONIFRSA-N 323.397 -0.143 30 20 DBED C#CCCN[C@@H]1CN(C(=O)Cc2ccon2)C[C@@H]1n1ccnn1 1129712996 WQAQJXPEIAUUDD-KGLIPLIRSA-N 314.349 -0.126 30 20 DBED CC#CCN[C@@H]1CN(C(=O)c2cnn[nH]2)C[C@H]1c1cn(C)cn1 1130622252 ZNIXGYLNLKBPOI-SMDDNHRTSA-N 313.365 -0.241 30 20 DBED C=CCN(CC=C)C(=O)CNCCNC(=O)c1[nH]nnc1C 1132219384 HXFAJNKAKNMVIO-UHFFFAOYSA-N 306.370 -0.367 30 20 DBED C[C@H]1CC[C@@H](NC(=O)CCCS(N)(=O)=O)CN1CC#N 1132252367 DFZRQHFODKDXKV-WDEREUQCSA-N 302.400 -0.452 30 20 DBED COc1ccc(C#N)cc1CNCCNC(=O)[C@@H]1CNC(=O)N1 1133129270 XNAYNCFQCCXRDR-LBPRGKRZSA-N 317.349 -0.546 30 20 DBED C#CCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)c1cc[n+]([O-])cc1 1133637166 UGLMIQFBZALQHB-OLZOCXBDSA-N 318.377 -0.444 30 20 DBED C[C@H](C[C@@H](C)NC(=O)c1cnn(C)c1)NCC(=O)NCC#N 1133666286 GLPJHDRVOJZTAS-GHMZBOCLSA-N 306.370 -0.454 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1cnn(CCC)c1 1134543866 LTNROMRWHCLJCV-GFCCVEGCSA-N 305.382 -0.250 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)c1c(C)ncn1C 1134652072 FGEMAWYMRDCULH-RYUDHWBXSA-N 319.409 -0.036 30 20 DBED C=CCCn1cc(C(=O)NCCNCC(=O)NC2CC2)nn1 1135071518 GPZFLMARJJTBLU-UHFFFAOYSA-N 306.370 -0.548 30 20 DBED C=CCOCCN[C@@H](C)C[C@@H](C)NC(=O)CS(=O)(=O)NC 1146429884 GNBIVECKOYATIV-NWDGAFQWSA-N 321.443 -0.389 30 20 DBED COCC#CCN1CCC2(C1)CN(C(=O)[C@]1(C)CNC(=O)C1)C2 1147959163 PENOSRPIINATHR-INIZCTEOSA-N 319.405 -0.303 30 20 DBED C=CCNC(=O)CNCCNC(=O)[C@@H]1CCCN1C(=O)CCC 1152102926 QVTGAVBHAIQKCN-ZDUSSCGKSA-N 324.425 -0.215 30 20 DBED C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)C1=CCOCC1 1152912911 MCJYOKYPSLLAQJ-CYBMUJFWSA-N 307.394 -0.091 30 20 DBED C#CCNC(=O)CC(=O)NCCCNCc1ccc(OC)nn1 1156857504 RHUBRDNHJJGZIV-UHFFFAOYSA-N 319.365 -0.779 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@H]1COCCN1CC 1161513024 HIVMXHBRXPWRDY-CYBMUJFWSA-N 312.414 -0.895 30 20 DBED C#CCNC(=O)[C@@H](C)NCCCNC(=O)c1ccnnc1C 1161880122 WXKWADTULLUCGS-GFCCVEGCSA-N 303.366 -0.368 30 20 DBED C=CCNC(=O)CNCCCNC(=O)Cn1nc(C)cc1C 1162129690 IBJJMFBSJZPTAA-UHFFFAOYSA-N 307.398 -0.102 30 20 DBED Cc1cc(C(=O)NCCC2(CNCC(=O)NCC#N)CC2)n[nH]1 1163620592 JADBKPKXTIMVCE-UHFFFAOYSA-N 318.381 -0.152 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)c2nnn(C)c2C)[C@H]1C 1178405286 HRSOSBGUIYOQNN-JQWIXIFHSA-N 320.397 -0.382 30 20 DBED CN1C(=O)C(=O)N(CC(=O)NCCCCCCNCC#N)C1=O 1179735815 OTUVUWVSEIYVOS-UHFFFAOYSA-N 323.353 -0.803 30 20 DBED C=CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)COCCOC)C1 1181731408 NDAMSBCUDXZYAP-QWHCGFSZSA-N 313.398 -0.469 30 20 DBED C#CCOCCC(=O)N1CC[C@@H](NCC(=O)N(C)C2CC2)C1 1182467186 WORBKVRPZSCXEM-CYBMUJFWSA-N 307.394 -0.162 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC[C@@H](NCC(=O)NCC=C)C1 1183353914 HADXECPPFAAJKP-CABCVRRESA-N 318.421 -0.423 30 20 DBED N#CCNC(=O)CN1C[C@@H]2CCN(C(=O)[C@H]3CCCOC3)[C@@H]2C1 1187199500 NXYYKVLEVKWCCW-MELADBBJSA-N 320.393 -0.415 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)CN2CCCC2)C1 1187842909 RTPPAGTXRIQRCE-ZIAGYGMSSA-N 306.410 -0.589 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)c2ccc(C)nc2)C1 1191019375 NBCLXLXPTXFEEC-HUUCEWRRSA-N 303.362 -0.185 30 20 DBED C#CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)/C(C)=C\CC)C1 1191474804 QJZAXXYXGFSKRQ-JVZBLKNWSA-N 307.394 -0.358 30 20 DBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2[C@H]3CCC[C@H]32)C1 1192037038 DQZGVWXKDNMHCQ-OKWIKPQFSA-N 307.394 -0.504 30 20 DBED C=CCNC(=O)CN1CCCN(C(=O)c2n[nH]cc2F)CC1 1197068151 FIJCDZBEWDMTMW-UHFFFAOYSA-N 309.345 -0.001 30 20 DBED C#CCNC(=O)CNC1CCN(C(=O)[C@H]2CCO[C@@H]2C)CC1 1203052152 MCAOMUKJCSMKRG-OCCSQVGLSA-N 307.394 -0.259 30 20 DBED C#CCCNC1CCN(C(=O)COCc2nncn2C)CC1 1203152942 HCDOJHWECNUCIT-UHFFFAOYSA-N 305.382 -0.064 30 20 DBED CN(C)S(=O)(=O)CC(=O)N[C@@H]1C[C@H](NCC#N)C12CCC2 1203671832 WCTWTRZIIKYKDB-WDEREUQCSA-N 314.411 -0.582 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)c2ccnnc2C)C[C@H]1C 1215067592 VBISFLHSVLSFIC-BXUZGUMPSA-N 315.377 -0.415 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)CS(=O)(=O)C2CCCC2)C1 1219891891 HRAMTDHBSFUVER-OLZOCXBDSA-N 314.407 -0.862 30 20 DBED C#CCNC(=O)[C@H](C)N1CC[C@@H]2CN(C(=O)COCC=C)[C@@H]2C1 1221443390 ZVNFBELFRRXOFN-RRFJBIMHSA-N 319.405 -0.140 30 20 DBED C#CCN1CC[C@@H]2CCN(C(=O)CCS(=O)(=O)NC)C[C@@H]21 1222680316 ZSZFJFXWFFFHHW-OLZOCXBDSA-N 313.423 -0.518 30 20 DBED COCC#CCN1CCC(CNC(=O)[C@H](C)NC(N)=O)CC1 1222981702 IBAWZQNIXCBANS-LBPRGKRZSA-N 310.398 -0.479 30 20 DBED CC(C)C#CC(=O)N(C)C[C@H]1CCN1Cc1nc(=O)n(C)[nH]1 1234120918 XHYPNGKSNVGPDL-GFCCVEGCSA-N 305.382 -0.200 30 20 DBED COCC#CCN1CC[C@H]1CN(C)C(=O)C[C@@H]1CCNC1=O 1235280787 KTIFQHNMMZLOEW-KBPBESRZSA-N 307.394 -0.305 30 20 DBED COC(=O)CN(CC#N)C(=O)CCN/C(O)=C1\N=CC=CC1=O 1252410719 RPRZPCKYLBJVRM-BUHFOSPRSA-N 320.305 -0.572 30 20 DBED C#Cc1ccc(C(=O)NCC2(O)CCS(=O)(=O)CC2)nc1 1257512364 KMVINEUTWSSSJT-UHFFFAOYSA-N 308.359 -0.268 30 20 DBED Cc1ccn(C)c(=O)c1NC(=O)C(=O)N1CCO[C@H](C#N)C1 1319796332 OKHIDACQYHDGJR-SNVBAGLBSA-N 304.306 -0.617 30 20 DBED C=C[C@H](COC)NC(=O)N(C)C[C@H](O)CN1CCOCC1 1320311871 GBYUGAKONLFXTP-OLZOCXBDSA-N 301.387 -0.478 30 20 DBED C#C[C@@H](C)N(C)C(=O)C(=O)Nc1cnc(OC)c(C(N)=O)c1 1321009208 YPONUNSBKHTSMZ-MRVPVSSYSA-N 304.306 -0.392 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CC[S@](=O)[C@H](C)[C@H]1C 1323589016 XEUODQBTFJJSRM-OWXSUUJWSA-N 302.396 -0.329 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCN(c2ccncc2)CC1 1324877947 JCRMLVBEJVCYFL-UHFFFAOYSA-N 316.361 -0.504 30 20 DBED CN(C)c1ncc(CNC(=O)C(=O)N2CC[C@@](F)(C#N)C2)n1C 1328727582 DZAHWQJJCSTXKC-CQSZACIVSA-N 322.344 -0.434 30 20 DBED C#CC[C@H](CCOC)NC(=O)C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 1332867238 LSXGHKYVFZWOTD-VXGBXAGGSA-N 321.377 -0.590 30 20 DBED C[C@@H](OC(=O)Cn1cc([C@@H](C)O)nn1)C(=O)NC1(C#N)CCC1 1343435633 AZGQGTDBTZQQAJ-NXEZZACHSA-N 321.337 -0.174 30 20 DBED N#CCn1cc(NC(=O)C(=O)N2CC([C@H]3CCOC3)C2)cn1 1344353709 VYWMNZYKVNJRCF-JTQLQIEISA-N 303.322 -0.160 30 20 DBED C=C[C@H](COC)NC(=O)C(=O)N1CCOC[C@@H]1C[C@H](C)O 1344782919 FGZMDASDIVRHLG-TUAOUCFPSA-N 300.355 -0.698 30 20 DBED CCN(CC)C(=O)CNC(=O)C(=O)N1CCN(CCC#N)CC1 1352163506 YAOSAFVJUIYHLA-UHFFFAOYSA-N 323.397 -0.971 30 20 DBED CN(C[C@@H]1CCC[C@H]1O)C(=O)Cn1cc(C#N)c(O)nc1=O 1362299458 KDKGWWWEUNMOPF-GXSJLCMTSA-N 306.322 -0.560 30 20 DBED COC(=O)C1(C#N)CCN(C(=O)c2cn(C)c(=O)n2C)CC1 1362915025 OSSZKXRYAXCQII-UHFFFAOYSA-N 306.322 -0.357 30 20 DBED Cc1nn(C)c(C)c1[C@@H](O)CNC(=O)Cn1cnc(C#N)n1 1365159865 QUCDPSZRKXPFRZ-JTQLQIEISA-N 303.326 -0.650 30 20 DBED COc1ccc(C(=O)N2CC[C@@H](NC(=O)[C@@H](C)C#N)C2)nn1 1372042604 ITVLNZKDOJDRMT-VHSXEESVSA-N 303.322 -0.024 30 20 DBED CCC(=O)NCC(=O)N1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 1385255433 VVTDTQRFBLZMJC-UHFFFAOYSA-N 317.349 -0.303 30 20 DBED C[C@H](CNC(=O)c1ccc(C#N)[nH]1)NC(=O)CCn1ccnn1 1389172601 OIOWKTGDFZOMAL-SNVBAGLBSA-N 315.337 -0.197 30 20 DBED CNC(=O)NC(=O)CN1CCCC2(C1)CN(C(=O)[C@H](C)C#N)C2 1394341672 DMPTZANCSMDNFS-LLVKDONJSA-N 321.381 -0.474 30 20 DBED CC(=O)N1CC(C(=O)NC[C@H](C)NC(=O)c2c[nH]c(C#N)c2)C1 1410347622 OZQBBUGYEDGATJ-VIFPVBQESA-N 317.349 -0.401 30 20 DBED CCC(=O)N[C@H](C)C(=O)NC1CN(C(=O)c2c[nH]c(C#N)c2)C1 1416036067 XDRZYPNRLYNQNI-SECBINFHSA-N 317.349 -0.258 30 20 DBED CNS(=O)(=O)CCn1c(C)nnc1N1CC[C@@](F)(C#N)C1 1417529734 HBSOUIKATZAKTM-LLVKDONJSA-N 316.362 -0.422 30 20 DBED Cc1nnc(CC(=O)NCCn2cc(C#N)c(O)nc2=O)s1 1418536199 IJGXGDGPFVNZOR-UHFFFAOYSA-N 320.334 -0.661 30 20 DBED C[C@@H](C#N)C(=O)N(C)[C@H](C)CNC(=O)c1ccc2nnnn2c1 1424202854 CIJHFWJQYCHHJT-VHSXEESVSA-N 315.337 -0.139 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H](O)CNC(=O)[C@]2(F)CCOC2)c1 1452329007 KOLWGVFONIOPBW-HZMBPMFUSA-N 324.312 -0.778 30 20 DBED CN1CCO[C@H](C(=O)NCCN(C)C(=O)c2c[nH]c(C#N)c2)C1 1495927286 KSLOWUMPDCAMAX-ZDUSSCGKSA-N 319.365 -0.595 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@](C)(NC(=O)CCN2CCOCC2)C1 1506465041 PCURTKNSVTXKFB-CJNGLKHVSA-N 322.409 -0.024 30 20 DBED C=C(Br)CN1CC(O)(CNC(=O)CNC(=O)O)C1 1573313417 HOSLNDWTWBKTKK-UHFFFAOYSA-N 322.159 -0.675 30 20 DBED C#CCN(C(=O)c1nc(C)n(-c2nc[nH]n2)n1)C1CCNCC1 1574604362 NGFORLXXUIWIPO-UHFFFAOYSA-N 314.353 -0.479 30 20 DBED COC(=O)[C@H]1CCN(c2cnc(C#N)c(-c3nn[nH]n3)n2)[C@H]1C 1579442306 DOYMQXHNCINBCO-YUMQZZPRSA-N 314.309 -0.084 30 20 DBED COC(=O)N1CC(C)(Nc2cnc(C#N)c(-c3nn[nH]n3)n2)C1 1579453400 SLMZXTHUPSTEMF-UHFFFAOYSA-N 315.297 -0.219 30 20 DBED CON1CCC(N(C)c2cnc(C#N)c(-c3nn[nH]n3)n2)CC1 1579848239 RTJDYQFDMOVEAR-UHFFFAOYSA-N 315.341 -0.010 30 20 DBED N#CCC1(O)CN(CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)C1 1581858116 RDAZQFNIJDRZMK-UHFFFAOYSA-N 313.321 -0.234 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCO[C@](COC)(C(=O)O)C1 1588431033 SJFDWGZHWFDZRB-SWLSCSKDSA-N 310.350 -0.587 30 20 DBED O=C(N[C@H]1CCN(O)C1=O)c1ccc(-c2nn[nH]n2)cc1F 1592989026 UJKNWOYRDADQPH-VIFPVBQESA-N 306.257 -0.274 30 20 DBED CO[C@@]1(C(=O)O)CCN(C(=O)C(=O)N2CC[C@](C)(C#N)C2)C1 1599068389 XWJNMEJCQMEESF-KGLIPLIRSA-N 309.322 -0.549 30 20 DBED C#C[C@@H](NC(=O)Nc1nn(C)cc1-c1nn[nH]n1)[C@@H]1CCCO1 1602689035 NZMVLDLZRKBCAA-ZJUUUORDSA-N 316.325 -0.098 30 20 DBED C=CCN1CC[C@H](OC(=O)[C@@H]2CCCN(CC(=O)O)C2=O)C1=O 1602723132 NVLMJGOKVWHUQH-MNOVXSKESA-N 324.333 -0.360 30 20 DBED C=C(CCC(=O)O)C(=O)N1CCS(=O)(=O)[C@H]2COCC[C@H]21 1602778286 NDMWJHFZRIHXPN-MNOVXSKESA-N 317.363 -0.178 30 20 DBED C=CCC[C@H](NS(=O)(=O)c1cnn(CC(=O)O)c1)C(=O)O 1602857836 YFGDSIIZAADJLJ-VIFPVBQESA-N 317.323 -0.335 30 20 DBED C=CCNC(=O)CNS(=O)(=O)[C@@H]1CCCC[C@H]1C(=O)O 1602901823 XSXUVUQMIRZXOJ-NXEZZACHSA-N 304.368 -0.149 30 20 DBED C[C@H]1C[C@H](C(=O)O)CN(C(=O)NCCn2cnc(C#N)n2)C1 1603362841 MMEMWKVKAHOFKH-UWVGGRQHSA-N 306.326 -0.098 30 20 DBED C=CCNC(=O)CN1CC[C@@H](NC(=O)[C@H](NC(C)=O)C(C)C)C1 1690108805 SLVWRABEHGYZLO-UKRRQHHQSA-N 324.425 -0.360 30 20 DBED C=CCNC(=O)[C@@H](C)N1CC[C@@H](NC(=O)CN(C)C(C)=O)C1 1732153527 XWFSMQJCXVAIKV-DGCLKSJQSA-N 310.398 -0.654 30 20 DBED C#CCNC(=O)CN[C@@H](CNC(=O)[C@H](C)n1cccn1)C1CC1 1752452036 RNIAQAIDGZZSHX-JSGCOSHPSA-N 317.393 -0.322 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H]1C[C@H](NC(=O)C2CCOCC2)C1 1752613986 URCAHPXLLSZHCZ-MRVWCRGKSA-N 307.394 -0.212 30 20 DBED N#CCNC(=O)CNC[C@H]1CCCN(C(=O)[C@@H]2CCCOC2)C1 1752795351 YRUSCFICFVTSKU-ZIAGYGMSSA-N 322.409 -0.119 30 20 DBED C#CCN[C@@H]1CCC[C@@H](NC(=O)CCS(=O)(=O)NC)C1 1752966817 CMCPFAKQCLQJHE-VXGBXAGGSA-N 301.412 -0.424 30 20 DBED C=CCNC(=O)CNCCN(C)C(=O)[C@H]1CCc2nccn2C1 1753204830 BDJKJCHHVQZDMN-ZDUSSCGKSA-N 319.409 -0.204 30 20 DBED C=CCN(C)CC1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)CC1 1753365671 PGLYBHLDEXLUHY-LBPRGKRZSA-N 308.382 -0.059 30 20 DBED C=C(C)[C@H](CC(=O)NC1CN(Cc2nnn(C)n2)C1)OCC 1753379484 SLKLEAPYJYTQGT-LBPRGKRZSA-N 308.386 -0.118 30 20 DBED CCS(=O)(=O)NCC(=O)N[C@H]1CC[C@H](NCC#N)CC1 1753582161 IFVRPZKWDHZEMK-XYPYZODXSA-N 302.400 -0.534 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)Cn2ncnn2)C[C@@H]1C 1753754286 GKSQSKYKHQXAPJ-QWHCGFSZSA-N 306.370 -0.851 30 20 DBED C[C@@H](CNCC(=O)NCC#N)NC(=O)CCc1cccnc1 1754274375 HHQZVBHGOUFHKK-LBPRGKRZSA-N 303.366 -0.252 30 20 DBED C#CCNC(=O)CNC[C@@H](NC(=O)c1conc1C)C1CC1 1754450189 IKEPXOWBOZFXPU-CYBMUJFWSA-N 304.350 -0.170 30 20 DBED C=CCCCN1CC(O)(CNC(=O)CN2C(=O)CCC2=O)C1 1754777355 WOLXHJKVJYLSHB-UHFFFAOYSA-N 309.366 -0.736 30 20 DBED N#Cc1cc(C(=O)NC[C@@H]2COCCN2CCOCCO)c[nH]1 1754965196 JYLAYZFKRURCEE-CQSZACIVSA-N 322.365 -0.674 30 20 DBED C=CCNC(=O)CNC1(CNC(=O)C[C@H]2CCNC2=O)CCC1 1754981643 ADZMSDWDOFLBHT-GFCCVEGCSA-N 322.409 -0.557 30 20 DBED CC[C@@H](F)C(=O)N[C@H]1COC2(C1)CN(CC(=O)NCC#N)C2 1755063344 LROKLDZMIMIAGH-GHMZBOCLSA-N 312.345 -0.666 30 20 DBED C=CCNC(=O)CN[C@H](C)[C@H](C)NC(=O)C(=O)NCC1CC1 1755260045 LOBMZWKSUIVMRP-MNOVXSKESA-N 310.398 -0.702 30 20 DBED C=CCOCCN[C@H](C)[C@H]1CN(C(=O)c2cn(C)nn2)CCO1 1755441405 FRCSEXCITUVFCN-TZMCWYRMSA-N 323.397 -0.163 30 20 DBED CC(C)S(=O)(=O)CC(=O)N1CCO[C@@H]([C@@H](C)NCC#N)C1 1755448285 QNGQVCYNDGQWRC-VXGBXAGGSA-N 317.411 -0.461 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H](CO)CNC(=O)c1ncoc1CC 1755626272 CIGVAWMKRVQKRK-WDEREUQCSA-N 322.365 -0.945 30 20 DBED C=CCN1CC[C@H](N[C@H](CO)CNC(=O)C2CC=CC2)C1=O 1755626439 GYCMENCDCROYTE-KBPBESRZSA-N 307.394 -0.194 30 20 DBED C#CCNC(=O)CN1CCC[C@@H](NC(=O)c2cn(C)cn2)[C@H]1C 1755732467 WFRKBWYSOLHQCO-CHWSQXEVSA-N 317.393 -0.248 30 20 DBED C=CC(C)(C)C(=O)N(C)C[C@@H](O)CN[C@@H](C)c1nnnn1C 1755784957 FAAWEPXKIRYHDU-QWRGUYRKSA-N 310.402 -0.108 30 20 DBED C=CCNC[C@@H](O)CN(C)C(=O)[C@]1(C)CCCS1(=O)=O 1755791368 JUGFBDWSPXDCKQ-YPMHNXCESA-N 304.412 -0.451 30 20 DBED C#CCN(C)C[C@H](O)CN(C)C(=O)[C@H]1CCCCN(C)C1=O 1755806395 DRYMUNJVVOEEMH-KBPBESRZSA-N 309.410 -0.371 30 20 DBED C=C[C@](C)(O)CC(=O)NC[C@H](CO)NC(=O)c1ccn(C)c1C 1756515221 HYCUALDXLPDDIZ-WBMJQRKESA-N 323.393 -0.132 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@H](CO)CNC(=O)c1cnc(C)n1C 1756543336 OBXBCUYCCNUOKG-NHYWBVRUSA-N 324.381 -0.737 30 20 DBED C=CCCCC(=O)N(C)C[C@@H](O)CNC(=O)c1c[nH]c(=O)cn1 1756677681 ZRTDPOICHCRNIK-NSHDSACASA-N 322.365 -0.325 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(C(=O)Cc2cnn(C)c2)C[C@H]1O 1756993530 FABXALYKSNCWOQ-ZIAGYGMSSA-N 318.377 -0.690 30 20 DBED CC(C)(C)C#CC(=O)N[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1O 1756995930 RHRDWPIRGPDPOL-NXEZZACHSA-N 305.338 -0.844 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(C(=O)c2nonc2C)C[C@H]1O 1757008946 NYQAKBSXVHLLRO-GHMZBOCLSA-N 324.337 -0.728 30 20 DBED CN1CCN(C(=O)CNC(=O)CNc2ccc(C#N)cc2)CC1 1772476434 IVHBAZNFPJMASU-UHFFFAOYSA-N 315.377 -0.140 30 20 DBED Cn1ncc(C(=O)O)c1C=NN1C(=O)[C@@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C1=O 1776102524 RQWKFJMXDJIQDH-DBIOUOCHSA-N 316.273 -0.609 30 20 DBED C#CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CNC(=N)N)[nH]n1 1821873232 KYZBWPODBMKVKU-JTQLQIEISA-N 317.353 -0.482 30 20 DBED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)CC2(O)CCC2)C1 1846733727 CFJXDFBROIRGIJ-UHFFFAOYSA-N 320.345 -0.417 30 20 DBED C=CCN1CCC(NC(=O)Cn2ccc(=O)n(C)c2=O)CC1 171723868 QIBBLSCJAIWBSE-UHFFFAOYSA-N 306.366 -0.686 30 20 DBED C=CCn1c(=O)n(CC=C)c(=O)n(CN(C)CC2CC2)c1=O 194000691 GTKQCAIESNEHCG-UHFFFAOYSA-N 306.366 -0.157 30 20 DBED CN(C)S(=O)(=O)CCNC(=O)c1cccc(C#CCO)c1 231025540 OHICRYALHFWGAM-UHFFFAOYSA-N 310.375 -0.348 30 20 DBED C/N=C(/NCC(=O)N(C)C)N[C@@H]1CCN(c2ccccn2)C1 262303835 OFBJUJPFUWXBKM-GFCCVEGCSA-N 304.398 -0.087 30 20 DBED CC(=O)NCCNC(=O)CCC(=O)N(CCC#N)CCC#N 265418628 MMCIGXPWAROWHP-UHFFFAOYSA-N 307.354 -0.325 30 20 DBED C[C@@H]1CN(C2CC2)C[C@H]1Nc1c(C#N)c(=O)n(C)c(=O)n1C 268138972 JWVXOVRNZWVKDZ-BXKDBHETSA-N 303.366 -0.150 30 20 DBED N#Cc1ccc(C[C@H](C#N)C(=O)N2CCO[C@@H](C(N)=O)C2)cc1 279539189 NCOQHIDGGKMNFN-ZIAGYGMSSA-N 312.329 -0.047 30 20 DBED O=C(NCC#CCO)c1ccc(C(=O)NCC#CCO)s1 283763144 RUSJIUIKDBVJOY-UHFFFAOYSA-N 306.343 -0.801 30 20 DBED O=C([C@@H]1CN2CCCN1CC2)N1CC[C@H](N/C(O)=N/C2CC2)C1 329445604 CIQVWSOBTLVEOE-KBPBESRZSA-N 321.425 -0.357 30 20 DBED C[C@@H]1CN(/C(O)=N/C[C@@H]2CN(C)CCO2)C[C@@H](C)S1(=O)=O 329602644 LACTZOVJRZAIKV-IJLUTSLNSA-N 319.427 -0.262 30 20 DBED CC(C)N1C(=O)C[C@H](/N=C(/O)[C@H]2CCS(=O)(=O)C2)C1=O 330088128 UKLUTXURNMPTKC-IUCAKERBSA-N 302.352 -0.087 30 20 DBED CC/N=C(/O)N1CCN(CC(=O)N[C@H](C)C(=O)N(C)C)CC1 330707930 VCWMOQDOTIFHBX-LLVKDONJSA-N 313.402 -0.869 30 20 DBED COCC/N=C(/O)Nc1ccn(CC(=O)N2CCOCC2)n1 330800813 AAYOUYZUWRRRPM-UHFFFAOYSA-N 311.342 -0.286 30 20 DBED Cn1c(N2CCC[C@H](n3ccnn3)C2)c(C#N)c(=O)n(C)c1=O 333421690 JGKDQZWGPQCCII-JTQLQIEISA-N 315.337 -0.611 30 20 DBED CCN(CCC#N)S(=O)(=O)N[C@@]1(C)CCS(=O)(=O)C1 336899892 AYPCTSXJLLYSLH-JTQLQIEISA-N 309.413 -0.366 30 20 DBED CCN(CCC#N)S(=O)(=O)NC[C@@H](O)COCC1CC1 337086420 FBYZFDQCDSKMIC-GFCCVEGCSA-N 305.400 -0.156 30 20 DBED CSC[C@](C)(O)CNS(=O)(=O)N1CCO[C@@H](C#N)C1 337095771 QNUOWDDPJRGUNM-VHSXEESVSA-N 309.413 -0.841 30 20 DBED CC[C@H](C)N(CC(=O)OC)S(=O)(=O)N1CCO[C@H](C#N)C1 337215158 YBQFUGPYTCTKRW-WDEREUQCSA-N 319.383 -0.271 30 20 DBED C[C@@H]1CN(S(=O)(=O)N2CCO[C@@H](C#N)C2)C[C@@H](C)N1C 339067416 MGJNNJCRUZWNKS-UTUOFQBUSA-N 302.400 -0.520 30 20 DBED COCCCN(C)CCNC(=O)C(=O)Nc1ccc(C#N)cn1 340066351 NWQLHMPJJBHVNE-UHFFFAOYSA-N 319.365 -0.024 30 20 DBED C=CC[C@H](CO)CNC(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 341839549 AOBYBFOHHXCUIR-RYUDHWBXSA-N 319.427 -0.248 30 20 DBED COCCN1CC[C@H](NC(=O)NCCn2cnc(C#N)n2)C1 345015639 HKKKZNBDGLYABJ-NSHDSACASA-N 307.358 -0.830 30 20 DBED COCCO[C@H]1CCCN(C(=O)NCCn2cnc(C#N)n2)C1 347611011 KJYZVCASFOGIPF-LBPRGKRZSA-N 322.369 -0.013 30 20 DBED CC[C@H](C#N)NC(=O)[C@@H]1OCC(=O)N(C)[C@@H]1c1cnn(C)c1 348454651 MWNCVSWCKMWNOQ-RAIGVLPGSA-N 305.338 -0.263 30 20 DBED COc1cc(CN2C(=O)[C@H]3CNC(=O)CN3C2=O)ccc1C#N 349021532 VKMFCOOTXXQALU-LLVKDONJSA-N 314.301 -0.171 30 20 DBED COCCN(CCC#N)S(=O)(=O)NC[C@H](CO)C1CC1 352558976 FOBHKKTYLMOKCK-GFCCVEGCSA-N 305.400 -0.299 30 20 DBED COC(=O)[C@@H](O)C1CCN(CCC(=O)N(C)CCC#N)CC1 357015574 CQNJXQZNTCMYMB-AWEZNQCLSA-N 311.382 -0.006 30 20 DBED CNC(=O)[C@H]1CN(CC(=O)N(CCC#N)CCC#N)CCO1 359631881 HKLOFRYIMHFZDJ-GFCCVEGCSA-N 307.354 -0.911 30 20 DBED C=C[C@@H](C)NC(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 362368357 AMJFTDSCHAFCNR-ZJUUUORDSA-N 303.384 -0.447 30 20 DBED CN[C@H](C)CNC(=O)C(=O)NCCOc1ccc(C#N)cc1 419458915 CJCXKMKUYGTKAF-LLVKDONJSA-N 304.350 -0.223 30 20 DBED N#Cc1ncc(NC(=O)NC(CO)(CO)CO)cc1Cl 455751027 ALYFKWPLNCFUSA-UHFFFAOYSA-N 300.702 -0.556 30 20 DBED C#CCN1CCN(C(=O)CN2CCN(C(=O)OC)CC2)CC1 490840351 NTPMEPJWDUGQID-UHFFFAOYSA-N 308.382 -0.852 30 20 DBED CC(C)(CNC(=O)Cn1cncc(C#N)c1=O)N1CCOCC1 558461948 GDOKAHCQWNACHR-UHFFFAOYSA-N 319.365 -0.658 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H]3CNC[C@H]32)C1=O 567890937 LMEVAHGCUAKWNA-WDEREUQCSA-N 320.349 -0.826 30 20 DBED CN(CCCO)C(=O)CNS(=O)(=O)c1cccc(C#N)c1 574660208 MOMYEEANZKZYBK-UHFFFAOYSA-N 311.363 -0.323 30 20 DBED COCCN(CCC#N)S(=O)(=O)N1CCO[C@H](OC)C1 590586015 HPSXHXYUKZBLHF-NSHDSACASA-N 307.372 -0.602 30 20 DBED CC(C)(C#N)CNC(=O)c1nc(N)nc(N2CCOCC2)n1 593593830 HOJCYWBUPARIQW-UHFFFAOYSA-N 305.342 -0.430 30 20 DBED Cn1nnc2c1CC[C@H](NC(=O)CNc1ccc(C#N)cn1)C2 594403014 VVUJCJKVJYBDDX-NSHDSACASA-N 311.349 0.167 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1CC[C@H]2NC(=O)CC[C@@H]2C1 595743068 PPZKTJNDFLPWFR-QJPTWQEYSA-N 308.382 -0.013 30 20 DBED C=CC(C)(C)CCNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 599957836 LRZRLYLREHTARM-RYUDHWBXSA-N 322.409 -0.525 30 20 DBED C[C@H](CS(C)(=O)=O)NC(=O)N1CCN(CCC#N)CC1 601581803 QVFVIOPSVKVVAS-LLVKDONJSA-N 302.400 -0.340 30 20 DBED CN(C)C(=O)N1CCN(C(=O)NC2CCN(CC#N)CC2)CC1 609337654 CFVXPTINDXRSCP-UHFFFAOYSA-N 322.413 -0.017 30 20 DBED Cc1noc(C)c1S(=O)(=O)NCC(=O)NCC1(C#N)CC1 613726288 WVMBGADYIUHQRV-UHFFFAOYSA-N 312.351 -0.010 30 20 DBED C=CCN1CC[C@@H](N(C)C(=O)[C@H](C)NS(=O)(=O)CC)C1=O 614395069 XORYRMKSBPPAKW-WDEREUQCSA-N 317.411 -0.441 30 20 DBED C=CCN(C(=O)[C@H]1CCCN(S(N)(=O)=O)C1)[C@@H](C)COC 617583995 UTANYHXEACPWGW-RYUDHWBXSA-N 319.427 -0.049 30 20 DBED CC#CC[C@@H](CO)NC(=O)C(=O)Nc1ccc2c(c1)nnn2C 646949975 QIUPCNDGVIQWLY-NSHDSACASA-N 315.333 -0.203 30 20 DBED CC#CC[C@H](CO)NC(=O)c1cc(S(N)(=O)=O)oc1C 649181906 LHFWKRAOZYBVIU-SECBINFHSA-N 300.336 -0.260 30 20 DBED N#Cc1ccc([C@@H](OC(=O)C2CC(=O)NC(=O)C2)C(N)=O)cc1 734588620 WGPNVYXHVKJRDI-CYBMUJFWSA-N 315.285 -0.319 30 20 DBED C[C@@]1(c2cccc(C#N)c2)NC(=O)N(CC(=O)NC(N)=O)C1=O 750821390 DGEWFYWGQWKMHF-AWEZNQCLSA-N 315.289 -0.480 30 20 DBED C#C[C@H](NC(=O)C(=O)N1CCOC[C@@H]1C[C@@H](C)O)[C@@H]1CCCO1 774247595 AJOKTYDGENAOOH-RFGFWPKPSA-N 324.377 -0.718 30 20 DBED C#C[C@H](NC(=O)c1cc(S(N)(=O)=O)cn1C)[C@@H]1CCCO1 776269007 HEAFGCRJSBYHHX-JQWIXIFHSA-N 311.363 -0.417 30 20 DBED C#CCOCCNS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 784457382 IOLTWQPNTRUCIT-UHFFFAOYSA-N 323.330 -0.856 30 20 DBED C#CCOCCNC(=O)Cc1ccc(S(N)(=O)=O)s1 784766484 RVJJXWDZSOKYMP-UHFFFAOYSA-N 302.377 -0.296 30 20 DBED C#C[C@@H](C)NC(=O)C(=O)Nc1ccc(OC)c(-n2cnnn2)c1 784850021 WWFQXSDYEDJFAI-SECBINFHSA-N 314.305 -0.253 30 20 DBED C=CCOC[C@H](NC(=O)C[C@@H]1SC(=N)NC1=O)C(=O)OC 797761681 IGFSTDBKVUUJMT-YUMQZZPRSA-N 315.351 -0.597 30 20 DBED N#Cc1ccc(CNS(=O)(=O)N2CCO[C@H](C#N)C2)nc1 800122287 ZDKYTHGPBWGWHN-GFCCVEGCSA-N 307.335 -0.488 30 20 DBED C#CCCCNC(=O)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O 806916922 WZYYYMMOEJMGGB-GFCCVEGCSA-N 317.349 -0.829 30 20 DBED C#CC[C@@H](CO)NC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 816668937 CBJFUWXYKCFINF-NARNDRFESA-N 302.330 -0.706 30 20 DBED C#CC[C@@H](CO)NC(=O)c1coc(S(=O)(=O)N(C)C)c1 820065285 XUUPQWRJUMJPTO-JTQLQIEISA-N 300.336 -0.356 30 20 DBED Cc1cc(NC(=O)C(=O)N2CC[C@H](C(=O)O)C2)nn1CCC#N 820986436 UBEORDOXYZLQIG-JTQLQIEISA-N 319.321 -0.023 30 20 DBED C#CCCN(CCOC)C(=O)C(=O)N[C@H]1CCc2n[nH]cc2C1 827126006 VIQNYLJYNANQCX-ZDUSSCGKSA-N 318.377 -0.119 30 20 DBED C#CCNS(=O)(=O)N1CCN(C(=O)c2ccnnc2C)CC1 831565540 VASOJADXKYATJW-UHFFFAOYSA-N 323.378 -0.990 30 20 DBED CC(C)[C@](C)(C#N)NC(=O)COC(=O)[C@@H]1CCS(=O)(=O)N1 845366305 IBOSMQULFQYYTO-CABZTGNLSA-N 317.367 -0.724 30 20 DBED C#Cc1cccc(NC(=O)C(=O)NC[C@H](O)CC(=O)OC)c1 862089886 VYWCISBMYJMPCS-GFCCVEGCSA-N 304.302 -0.353 30 20 DBED Cn1c(N2CCC[C@@H](C(C)(C)O)C2)c(C#N)c(=O)n(C)c1=O 872673206 GAPIUVQYVSGEQQ-SNVBAGLBSA-N 306.366 -0.057 30 20 DBED C#CC1(O)CN(C(=O)[C@H](O)[C@@H](O)c2nc3ccccc3s2)C1 890524377 LPTLQQDXRGNIKM-VXGBXAGGSA-N 318.354 -0.103 30 20 DBED CN(C(=O)[C@]1(C)CNC(=O)C1)[C@@H]1CCN(C(=O)C#CC2CC2)C1 937349730 KMOGHRFLNAWATG-DYVFJYSZSA-N 317.389 -0.015 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@H](N(C)C(=O)c2cn(C)c(=O)n2C)C1 939405783 HAVMDZTVEUCIJW-QWRGUYRKSA-N 319.365 -0.444 30 20 DBED C[C@H]1C[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)CCN1CC#N 947928533 BWFBGFGQLLRHFW-VHSXEESVSA-N 315.337 -0.476 30 20 DBED C=CCn1cc(C(=O)N2CCN(CCn3cncn3)CC2)nn1 951559602 FAMODPYPEODBQK-UHFFFAOYSA-N 316.369 -0.486 30 20 DBED C[C@@H]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)CC(N)=O 955594524 NLUYBGFYXQTQHI-ZJUUUORDSA-N 317.349 -0.129 30 20 DBED CC#CCN1CC(N(CC)C(=O)c2nccnc2C(N)=O)C1 957364866 VWGUJYSQBAFECH-UHFFFAOYSA-N 301.350 -0.255 30 20 DBED O=C(Cn1cnnn1)NC1[C@@H]2CN(CC#Cc3ccccc3)C[C@@H]12 958192969 LWWFTUIGOCSTJH-HUUCEWRRSA-N 322.372 -0.229 30 20 DBED C#CCCN1C[C@@H](O)[C@@H](CNC(=O)c2ccn(CCOC)n2)C1 958249841 WIUAZLABPRZPJL-DZGCQCFKSA-N 320.393 -0.425 30 20 DBED C#CCCN1C[C@@H](O)[C@H](CNC(=O)c2ccc3nnnn3c2)C1 958252685 CESRCUQSECZJRR-CHWSQXEVSA-N 314.349 -0.830 30 20 DBED C#CCCN1C[C@@H](O)[C@H](CNC(=O)C2CCN(C(N)=O)CC2)C1 958657731 NFZQOYJKHVCUGD-ZIAGYGMSSA-N 322.409 -0.791 30 20 DBED C=CCN1C[C@H](O)[C@H](CNC(=O)c2cncc(C(N)=O)c2)C1 958698096 SURBAKVTOBUUBK-OLZOCXBDSA-N 304.350 -0.611 30 20 DBED CC#CCN1C[C@H]2[C@H](NC(=O)[C@@H]3CCCN(C(N)=O)C3)[C@H]2C1 960897303 KJGPUEGVQKPKOF-MQYQWHSLSA-N 304.394 -0.153 30 20 DBED N#CCN1C[C@H]2[C@H](NC(=O)C3(n4cnnn4)CCCCC3)[C@H]2C1 961470894 UTQUWEIRSNQDPV-ITGUQSILSA-N 315.381 -0.098 30 20 DBED CN(C(=O)C[C@@H]1CC(=O)NC1=O)C1CCC(NCC#N)CC1 964493588 ALIQIPJHVSGZQZ-UNXYVOJBSA-N 306.366 -0.078 30 20 DBED CC#CCN1CCO[C@]2(CCN(C(=O)CN3CCCC3=O)C2)C1 972247603 CZNMRHZWLXRHJF-QGZVFWFLSA-N 319.405 -0.065 30 20 DBED CCn1ncc(C(=O)N2CC[C@@]3(CN(CC#N)CCO3)C2)n1 972368580 YYRWBXUOKZWTCP-CQSZACIVSA-N 304.354 -0.262 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)c3cc4n(n3)CCO4)[C@H]2C1 976692332 UQHQLZDVAYALGK-QISWUMQESA-N 315.333 -0.378 30 20 DBED N#CCN1C[C@H]2[C@H](CNC(=O)c3ccoc3CC(N)=O)[C@H]2C1 978664136 YSVMJVWONPVUMS-CNDDSTCGSA-N 302.334 -0.261 30 20 DBED C#Cc1ccc(C(=O)NCC2[C@@H]3CN([C@H]4CCNC4=O)C[C@@H]23)nc1 978980854 CFNSCQJSGUSGJT-DZKIICNBSA-N 324.384 -0.141 30 20 DBED C=CCCn1cc(C(=O)N[C@H]2CCC[C@H](NCC(N)=O)C2)nn1 981377389 CLVMKLQONMRVJT-RYUDHWBXSA-N 320.397 -0.030 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@H](CNC(=O)c2nccnc2N)C1 983215627 NGUGSDGTDSAAIB-NXEZZACHSA-N 302.338 -0.203 30 20 DBED C=CCN[C@H]1CCN(C(=O)CN2CCCS2(=O)=O)[C@H]1C 986335103 PTNOFBYCVHPRGI-RYUDHWBXSA-N 301.412 -0.213 30 20 DBED C[C@H](C#N)C(=O)N1CCC(CN(C)C(=O)[C@H]2C[C@H]2C(N)=O)CC1 988623584 ASZRQWYSBBZGDM-RTXFEEFZSA-N 320.393 -0.036 30 20 DBED C[C@@H]1C[C@H](NCCN2C(=O)CNC2=O)CN1C(=O)C#CC1CC1 988812339 MLPZHYSPOVHOKR-YPMHNXCESA-N 318.377 -0.469 30 20 DBED CN1CCOC[C@@H]1C(=O)NC1CN(C(=O)c2cc(C#N)c[nH]2)C1 990921575 NYDBZRVYMRUIKD-CYBMUJFWSA-N 317.349 -0.842 30 20 DBED N#Cc1cc(C(=O)NC2CN(C(=O)C[C@@H]3COC(=O)C3)C2)c[nH]1 990929741 PKXVCLCRVUXAMH-VIFPVBQESA-N 316.317 -0.220 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@]23COC[C@@H]2C3)C1 993518448 OWMMWBNERONKPZ-JDFRZJQESA-N 317.389 -0.553 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1C[C@H](NCC(N)=O)C(C)(C)C1 995926463 VQAMWXVZZHTMBI-STQMWFEESA-N 306.410 -0.604 30 20 DBED C#CCNC1CCN(C(=O)CN2CCCCS2(=O)=O)CC1 996800925 JTPZUEWGERBSHI-UHFFFAOYSA-N 313.423 -0.374 30 20 DBED C#Cc1cncc(C(=O)NC2CN(C(=O)CS(C)(=O)=O)C2)c1 999301268 ARJTWAJHCJUIRA-UHFFFAOYSA-N 321.358 -0.952 30 20 DBED N#CCN1CCC(CNC(=O)[C@@H]2CCS(=O)(=O)N2)CC1 1002133380 RJHRROWYLGEDBC-NSHDSACASA-N 300.384 -0.970 30 20 DBED C[C@H](NC(=O)c1c[nH]c(=O)cn1)C1CN(C(=O)C#CC2CC2)C1 1006727937 CTFABLBDEHGTAR-JTQLQIEISA-N 314.345 -0.240 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@]2(CN(C(=O)c3cnon3)CCO2)C1 1007714087 VFKQNVQDXDJAIG-HZMBPMFUSA-N 319.321 -0.327 30 20 DBED CCn1nncc1C(=O)NC[C@H]1[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]12 1009041413 NZXOTEROFPAIDM-FIQHERPVSA-N 316.365 -0.108 30 20 DBED C[C@@H](C#N)C(=O)N1CCN(C(=O)c2cn3c(n2)COCC3)CC1 1011325472 BOMVARKSMUBYMV-NSHDSACASA-N 317.349 -0.143 30 20 DBED C#CCCN1CCC[C@@H](CNC(=O)c2cn(C)c(=O)nc2O)C1 1023742914 RFRWBHPNDMFKRN-LBPRGKRZSA-N 318.377 -0.049 30 20 DBED N#Cc1ccc(CN2CC(NC(=O)[C@H]3COC(=O)N3)C2)cc1 1030269209 MHZGOFAMLWEFKB-CYBMUJFWSA-N 300.318 -0.033 30 20 DBED C#CCN1CCC(C(=O)NC2CN(Cc3cn(C)nn3)C2)CC1 1031436630 KXXDGQCFNYKERV-UHFFFAOYSA-N 316.409 -0.539 30 20 DBED C=CCN1CC[C@H](N2CC(CNC(=O)c3cnns3)C2)C1=O 1031564800 WRANCCMUBOUDQH-NSHDSACASA-N 321.406 -0.013 30 20 DBED CC#CCN1CCCC[C@H](NC(=O)CN2CC(=O)NC2=O)C1 1034447691 IYKLMCJSXAMULA-LBPRGKRZSA-N 306.366 -0.468 30 20 DBED C=CCn1cc(C(=O)NC[C@H]2CN(C[C@@H](C)O)CCO2)nn1 1035535290 HMCUXDFUKWMOMP-NEPJUHHUSA-N 309.370 -0.725 30 20 DBED Cn1cnc2nc(O)cc(C(=O)N[C@H]3[C@H]4C[C@H]3N(CC#N)C4)c21 1037430886 XNVKYJXFTNUNCK-XRNSZHNASA-N 312.333 0.000 30 20 DBED C=CCN1CC[C@@H](N2CC[C@@H]2CNC(=O)C2=COCCO2)C1=O 1038031998 KGQBNRLXRIIVHW-CHWSQXEVSA-N 321.377 -0.148 30 20 DBED N#Cc1ccc(C(=O)NC[C@H]2CCN2[C@H]2CCC(=O)NC2=O)[nH]1 1038172778 KGKVDWJEZGMOBY-PWSUYJOCSA-N 315.333 -0.504 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@@H]2CCC[C@H](C1)N2Cc1nnn(C)n1 1039531652 UICYRMYMVFCJFU-SDDRHHMPSA-N 303.370 -0.065 30 20 DBED CC(=O)N1CCC(=O)NCCN(c2cncc(C#N)n2)CC1 1039660973 UZGQOYCWRAZQPM-UHFFFAOYSA-N 302.338 -0.477 30 20 DBED CO[C@H](C(=O)N1CC[C@](O)(CNC(=O)C#CC2CC2)C1)C1CC1 1039681079 SZPLFVACCZYIKF-RDJZCZTQSA-N 320.389 -0.096 30 20 DBED C#CCN1[C@H]2CCC[C@H]1CN(C(=O)CN1CC(=O)NC1=O)C2 1039946356 PAYPRGCEULQVPK-RYUDHWBXSA-N 304.350 -0.763 30 20 DBED C=CCO[C@H](C)C(=O)NC[C@@]1(O)CCN(C(=O)c2cnco2)C1 1040161327 ACZCWWHBYGHCFA-ABAIWWIYSA-N 323.349 -0.041 30 20 DBED CCn1cnc(C(=O)N2CC[C@@](O)(CNC(=O)[C@@H](C)C#N)C2)c1 1040760844 QIECUZDWNGKQOL-XHDPSFHLSA-N 319.365 -0.244 30 20 DBED C[C@@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)Cc2ccc[nH]2)C1 1040760912 ASOVEHDVPBELRB-XHDPSFHLSA-N 304.350 -0.204 30 20 DBED N#Cc1cccnc1N1C[C@@H](O)[C@H](NC(=O)C2=COCCO2)C1 1040912683 VQOADYOEHIGHCM-VXGBXAGGSA-N 316.317 -0.493 30 20 DBED Cc1cc(C(=O)N[C@@H]2CN(c3cncc(C#N)n3)C[C@H]2O)on1 1040930449 FDENMDKJWQALNR-GHMZBOCLSA-N 314.305 -0.376 30 20 DBED N#Cc1cnc(N2C[C@@H](O)[C@H](NC(=O)c3cocn3)C2)cn1 1040951535 XPFZRFONXFOALO-MWLCHTKSSA-N 300.278 -0.684 30 20 DBED O=C(NC[C@]1(O)CCN(C(=O)C#CC2CC2)C1)c1ccnnc1 1041017121 CBANXODIJNNBJR-MRXNPFEDSA-N 314.345 -0.417 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)C[C@@H](C)OC)C1 1041932212 DYIMCECCTKQWCL-LLVKDONJSA-N 300.355 -0.697 30 20 DBED C=CCOCC(=O)N1CC(O)(CNC(=O)c2cnccc2C)C1 1042280205 IMCXYOXJXMEBKR-UHFFFAOYSA-N 319.361 -0.104 30 20 DBED CN1CC[C@H](N2CC(N(C)C(=O)c3ccc(C#N)[nH]3)C2)C1=O 1042628153 CPGISVKYPCNYJH-ZDUSSCGKSA-N 301.350 -0.127 30 20 DBED Cc1cnc(C(=O)N2CC(O)(CNC(=O)C#CC3CC3)C2)cn1 1042958393 MXUZTVODQMNHLA-UHFFFAOYSA-N 314.345 -0.498 30 20 DBED C=CCCOCC(=O)NCC1(O)CN(C(=O)COCCC)C1 1043565511 NQMHRRFQUFBVER-UHFFFAOYSA-N 314.382 -0.305 30 20 DBED C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2cnco2)C1 1044126782 GURNCPMEUZAPGI-JTQLQIEISA-N 307.306 -0.984 30 20 DBED Cc1ccncc1CC(=O)N1CC(O)(CNC(=O)[C@@H](C)C#N)C1 1045565419 WSWIQIWLIYXERI-LBPRGKRZSA-N 316.361 -0.218 30 20 DBED C#CCNC(=O)CC(=O)N1CC(O)(CNC(=O)[C@H](C)C(C)C)C1 1046949650 BJVRKRPNXQSDPB-GFCCVEGCSA-N 323.393 -0.893 30 20 DBED N#Cc1cc(C(=O)N2C[C@@H]3CN([C@H]4CCNC4=O)C[C@@H]3C2)c[nH]1 1048779634 YTKXLGQZSQIUCO-SCRDCRAPSA-N 313.361 -0.221 30 20 DBED CC#CCN1C[C@H]2CN(C(=O)CN3CCOCC3=O)C[C@H]2C1 1048865668 LGKSYXSGODXSSA-OKILXGFUSA-N 305.378 -0.741 30 20 DBED C=CCOCC(=O)N1CC[C@H]([C@H](C)NC(=O)Cn2nccn2)C1 1050297623 NXNJQJCOGDRZMA-STQMWFEESA-N 321.381 -0.166 30 20 DBED C#CCOCCC(=O)N[C@@H](C)[C@H]1CCN(C(=O)CC(=O)NC)C1 1050558380 NDNIJZSKSFHSRV-STQMWFEESA-N 323.393 -0.484 30 20 DBED CC#CCN1CCOC[C@H]1CNC(=O)c1cc(C(N)=O)co1 1051110025 UIHVGIDKYFMYNB-GFCCVEGCSA-N 305.334 -0.168 30 20 DBED C#CCNC(=O)CC(=O)NC[C@H]1CN(C(=O)COCC)C[C@@H]1C 1051885299 GFFDLFHVKRVTCO-STQMWFEESA-N 323.393 -0.627 30 20 DBED Cc1nn(C)cc1CC(=O)N1CCOC2(CN(CC#N)C2)C1 1053289059 RYLNRDGZWVITGD-UHFFFAOYSA-N 303.366 -0.292 30 20 DBED C#CCCN1CC2(C1)CN(C(=O)C[C@H]1CCC(=O)N1)CCO2 1053468883 DGUMMMNFCKVHGY-CYBMUJFWSA-N 305.378 -0.408 30 20 DBED N#CCN1CC2(CC[C@@H](CNC(=O)c3ccc(C(N)=O)o3)O2)C1 1053626318 STIBXNCMGIXVEU-JTQLQIEISA-N 318.333 -0.135 30 20 DBED C#CCCN1CC2(C[C@H](NC(=O)c3nccnc3N)CO2)C1 1053761006 RWEIOUXVNOETJU-NSHDSACASA-N 301.350 -0.345 30 20 DBED Cc1nnc(O)c(C(=O)N[C@@H]2COC3(C2)CN(CC#N)C3)c1C 1053888271 DZEVXYPHBSSSJK-NSHDSACASA-N 317.349 -0.104 30 20 DBED C=CCCC(=O)N[C@@]1(CO)CCCN(C(=O)Cc2nc[nH]n2)C1 1055823690 IDYUQCBWHAQAMH-HNNXBMFYSA-N 321.381 -0.217 30 20 DBED C[C@@H](C#N)C(=O)N[C@@]1(CO)CCCN(C(=O)c2cocn2)C1 1056094129 QNHSFQSFXFDYCA-HZMBPMFUSA-N 306.322 -0.082 30 20 DBED C[C@H](C#N)C(=O)N1CCC[C@](CO)(NC(=O)c2ccnnc2)C1 1056153771 PMTYKZFNYLWBAY-ABAIWWIYSA-N 317.349 -0.280 30 20 DBED N#Cc1cncc(N2C[C@@H]3C(NC(=O)Cn4cncn4)[C@H]3C2)n1 1056218557 WGJHILIZTTVFFB-QWRGUYRKSA-N 310.321 -0.809 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)Cc1ccco1 1057193455 HEHRGINWOWGFKB-UHFFFAOYSA-N 310.350 -0.038 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)C1=COCCO1 1057193902 UEMARMGMGIHJCJ-UHFFFAOYSA-N 314.338 -0.986 30 20 DBED CCn1cc(C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N)cn1 1057231705 HMICKOYBWCMGGJ-NSHDSACASA-N 307.354 -0.387 30 20 DBED C=CCOCC(=O)NCCN(CCO)C(=O)Cc1cc(C)[nH]n1 1057321721 WGBRBWGRPYEUEE-UHFFFAOYSA-N 324.381 -0.600 30 20 DBED C=C[C@](C)(O)CC(=O)N(CCO)CCNC(=O)c1ccon1 1057449973 KYTOFCFCTHKPRO-AWEZNQCLSA-N 311.338 -0.448 30 20 DBED N#Cc1cc(C(=O)NCCN(CCO)C(=O)c2ncc[nH]2)c[nH]1 1057519052 JGMNGHLYQFMYFA-UHFFFAOYSA-N 316.321 -0.526 30 20 DBED C#CCO[C@H](C)C(=O)N(CCO)CCNC(=O)c1cccnn1 1057585007 UGTAITLBOSMDJA-GFCCVEGCSA-N 320.349 -0.934 30 20 DBED C=CCO[C@H](C)C(=O)N(CCO)CCNC(=O)[C@@H](C)COC 1057921485 ITDRTZSRQIEYGM-QWHCGFSZSA-N 316.398 -0.203 30 20 DBED C=CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)c1cn[nH]c1 1057922209 ZIQKJELMPREJFA-NSHDSACASA-N 310.354 -0.449 30 20 DBED CCc1cc(C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N)nn1C 1058007930 HIBBSCZMXXWUGS-NSHDSACASA-N 321.381 -0.307 30 20 DBED CC#CCCCC(=O)NCCN(CCO)C(=O)c1cnn(C)n1 1058095312 ATZNZVPMCJIOFW-UHFFFAOYSA-N 321.381 -0.441 30 20 DBED C=C[C@](C)(O)CC(=O)NCCN(CCO)C(=O)[C@@H](F)CC 1058380793 OHCAJAVNQXNESE-FZMZJTMJSA-N 304.362 -0.001 30 20 DBED C#CCO[C@H](C)C(=O)NCCN(CCO)C(=O)[C@H](F)C(C)C 1058431460 XHTFOLHEHYAVGB-CHWSQXEVSA-N 316.373 -0.044 30 20 DBED C[C@]1(C(=O)N[C@H]2CCN(c3ccnc(C#N)n3)C2)CCNC1=O 1058541624 PIHMREUEJIHIBJ-BONVTDFDSA-N 314.349 -0.431 30 20 DBED C[C@H](C#N)C(=O)NCCN(CCO)C(=O)C1(CN(C)C)CC1 1058600226 OYFDVRKSQYGFDX-GFCCVEGCSA-N 310.398 -0.575 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)Cc1cnn(C)c1 1058652834 GIROHDPCHFMESX-NSHDSACASA-N 307.354 -0.941 30 20 DBED C#Cc1cncc(C(=O)N(CCO)CCNC(=O)C(F)F)c1 1058777659 PJHDYHTVDIYTCF-UHFFFAOYSA-N 311.288 -0.121 30 20 DBED C[C@@]1(C(=O)N[C@H]2C[C@H](N=c3cc[nH]c(C#N)n3)C2)CCC(=O)N1 1059407328 SHVFYFQHLYGJOK-YHAQOWFVSA-N 314.349 -0.502 30 20 DBED C[C@@H](C#N)C(=O)NCC[C@H]1CCN(C(=O)Cn2ncnn2)C1 1059695205 IHEJJRJHJIZHOB-QWRGUYRKSA-N 305.342 -0.812 30 20 DBED Cc1ccn(CC(=O)N2CCOC[C@H]2CNC(=O)[C@@H](C)C#N)n1 1061853841 VGRPGQPPZCYSDR-WCQYABFASA-N 319.365 -0.305 30 20 DBED O=C(C#CC1CC1)NC1(CNC(=O)Cc2nc[nH]n2)CCC1 1064605295 PPSZRVGIEFXXFP-UHFFFAOYSA-N 301.350 -0.084 30 20 DBED C=CCCC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)CCO1 1065401846 QKHZGFHEFRDGKE-NEPJUHHUSA-N 309.366 -0.425 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H](NC(=O)C2(NC(N)=O)CC2)CC1 1066066453 MQIQUSGUQIPBLP-WDEREUQCSA-N 321.381 -0.156 30 20 DBED C[C@H](C#N)C(=O)N(C)CCCN(C)C(=O)CCn1cnnn1 1068026765 NCQKRCVRXFMLPM-LLVKDONJSA-N 307.358 -0.470 30 20 DBED Cn1nnc(C(=O)N[C@H]2C[C@H](CNc3ccc(C#N)nn3)C2)n1 1068566938 RXTAEQTWBSDEJR-CZMCAQCFSA-N 313.325 -0.508 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)CN2CCCC2)C1 1070098659 KZMIXZLBJHRTHG-KGLIPLIRSA-N 304.398 -0.099 30 20 DBED Cc1nn(C)cc1C(=O)N1C[C@H](n2ccnn2)[C@H](NCC#N)C1 1070160768 DVLIXONFQSEDKO-OLZOCXBDSA-N 314.353 -0.501 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)c2cnn(C)n2)CCOCC1 1070166797 RZIGERANLZTJJV-JTQLQIEISA-N 320.353 -0.630 30 20 DBED Cn1cnc(C(=O)N2C[C@@H](NCC#N)[C@H](c3cn(C)cn3)C2)c1 1070484219 XWTMHVKFTYYXNT-WCQYABFASA-N 313.365 -0.125 30 20 DBED C#CCCCC(=O)N[C@@H]1CCCN(C(=O)Cn2cnnc2O)C1 1070641732 VKCJKUULFINMRR-GFCCVEGCSA-N 319.365 -0.106 30 20 DBED C#CCN1CC[C@]2(C1)CN(C(=O)CN1CCOCC1)C[C@H](C)O2 1071157449 YWPTXXBYGKTWDM-RDJZCZTQSA-N 321.421 -0.356 30 20 DBED C[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1NC(=O)CNC(N)=O 1072060311 NXUSSKPXIAOMRH-GHMZBOCLSA-N 308.382 -0.333 30 20 DBED C=CCCOCC(=O)N[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@@H]1C 1072529664 BAVZWDVVRWTGOE-WDEREUQCSA-N 322.369 -0.621 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCC(C)(NC(=O)c2nc[nH]n2)CC1 1073028044 YSMKUTCYHBZMQI-NSHDSACASA-N 319.365 -0.046 30 20 DBED CNC(=O)NCCC(=O)NC1(C)CCN(C(=O)[C@H](C)C#N)CC1 1073228599 DMTNKNHTYJRQSY-LLVKDONJSA-N 323.397 -0.038 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)CN3C(=O)CCC3=O)C[C@H]21 1074403232 SJUZSAWBKSLAFU-OLZOCXBDSA-N 319.361 -0.930 30 20 DBED C=CCCOCC(=O)N[C@H]1CCN(C(=O)CC(N)=O)[C@H](C)C1 1075041585 UVOIFMWECNPNRM-NEPJUHHUSA-N 311.382 -0.050 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@H]3CN([C@@H]4CCNC4=O)C[C@H]32)c1 1075658711 POJXPTUIIHIDHW-IACUBPJLSA-N 313.361 -0.079 30 20 DBED CNC(=O)NCC(=O)N[C@@H](C)CCNC(=O)c1cc(C#N)c[nH]1 1076076216 GJFRFOZVVGYYFG-VIFPVBQESA-N 320.353 -0.560 30 20 DBED C[C@@H](CCNC(=O)C#CC1CC1)NC(=O)[C@H]1CN(C)CCO1 1076423681 UKOMEILPCWHNMA-GXTWGEPZSA-N 307.394 -0.259 30 20 DBED CC(C)C#CC(=O)N[C@@H](C)CCNC(=O)CN1CCOCC1=O 1077024151 KTPJXODTVHNJRI-ZDUSSCGKSA-N 323.393 -0.484 30 20 DBED Cc1ccc(=O)n(CC(=O)NCC[C@H](C)NC(=O)[C@@H](C)C#N)n1 1077655081 YYZMIIUNWSVXJE-QWRGUYRKSA-N 319.365 -0.278 30 20 DBED C=CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3nnc(C)n3C2)C1 1078222893 VKFCELURYKFVBN-JHJVBQTASA-N 305.382 -0.504 30 20 DBED N#CCSCC(=O)N1C[C@H](CNC(=O)C(F)F)[C@@H](O)C1 1081149803 NDAQFOSIZICNNX-YUMQZZPRSA-N 307.322 -0.556 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)C2=COCCC2)C[C@@H]1O 1081345786 AEOXBZDFQIMFEM-KBPBESRZSA-N 324.377 -0.181 30 20 DBED O=C(C#CC1CC1)NC[C@@H]1CN(C(=O)c2cncnc2)C[C@H]1O 1081472566 ZJTWSOGMYMJZHY-ZIAGYGMSSA-N 314.345 -0.561 30 20 DBED C#CCN1C[C@@H](NC(=O)c2cnn(CCOC)c2C)[C@H](OC)C1 1081662055 LOKGLSSEQNCBDW-HUUCEWRRSA-N 320.393 -0.100 30 20 DBED C=CCCC(=O)N1C[C@H](O)[C@H](CNC(=O)C(=O)NCC2CC2)C1 1081697618 FTEUWALTHGQMGA-OLZOCXBDSA-N 323.393 -0.586 30 20 DBED C#CCCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)Cc2nc[nH]n2)C1 1081791585 UDDCCDMWCGDISR-NWDGAFQWSA-N 319.365 -0.914 30 20 DBED CC#CCN1C[C@@H](NC(=O)c2ccc(=O)n(CC)n2)[C@H](OC)C1 1082248336 GUYYRXWJTZDUSS-ZIAGYGMSSA-N 318.377 -0.285 30 20 DBED C#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cn(C)ccc1=O 1083139048 FDCJRDVHUZCAAY-DZGCQCFKSA-N 301.346 -0.456 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCc3cnc(C)n3C2)C1 1083731854 QRTCFMCQTNYQBS-YUELXQCFSA-N 302.378 -0.452 30 20 DBED C=CCCN1C[C@H](O)[C@H](NC(=O)Cc2nc3ncccn3n2)C1 1084056645 ICLCTOXFAHOSKZ-NEPJUHHUSA-N 316.365 -0.596 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](NC(=O)[C@H]2CCCS2(=O)=O)C1 1084076585 SIBGGOMZTLTSCY-GRYCIOLGSA-N 302.396 -0.699 30 20 DBED C#CCCN1CC[C@@H]1CN(C)C(=O)c1nccnc1C(N)=O 1085963660 NBGHKYJKCKVUCQ-LLVKDONJSA-N 301.350 -0.255 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2ccn(CC(F)F)n2)[C@@H](O)C1 1090345514 WWVRZXNYAGXWBU-PWSUYJOCSA-N 312.320 -0.054 30 20 DBED CC#CCN1CC[C@@H](NC(=O)c2c(O)nnc(C)c2C)[C@@H](O)C1 1090480238 RVOJFAUACWWLLT-OLZOCXBDSA-N 318.377 -0.013 30 20 DBED C=C(C)CN1CC[C@H](NC(=O)c2cnc(O)n(C)c2=O)[C@H](O)C1 1090487757 ZLDUNWWLCBQMRE-NWDGAFQWSA-N 322.365 -0.773 30 20 DBED CN(C)CCC(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@H]1O 1090525363 OOFDWZNKFMLTCA-TZMCWYRMSA-N 303.366 -0.429 30 20 DBED NC(=O)C(=O)N[C@H]1CCN(CC#Cc2ccccc2)C[C@@H]1O 1090533269 YETQJZBQDYVDJE-KBPBESRZSA-N 301.346 -0.925 30 20 DBED C#CCCN1CC[C@@H](NC(=O)Cn2c(C)csc2=O)[C@H](O)C1 1090797498 ZWKFGKADWFPSHE-CHWSQXEVSA-N 323.418 -0.207 30 20 DBED CCc1nc(C#N)cc(N2C[C@H](O)[C@H](NC(=O)[C@@H](C)OC)C2)n1 1091067520 GHUQWTKIPWCPPG-JLLWLGSASA-N 319.365 -0.389 30 20 DBED CSCC(=O)N[C@H]1CCN(c2cnc(C#N)cn2)C[C@H]1O 1092149392 YBXGZURSIDIMNJ-WDEREUQCSA-N 307.379 -0.233 30 20 DBED Cc1ccc(C#N)c(NCCNC(=O)C[C@H]2CC(=O)NC2=O)n1 1093717514 MYVPWXNPLYURMJ-NSHDSACASA-N 315.333 -0.157 30 20 DBED CCO[C@H](C(=O)NCCN=c1cc[nH]c(C#N)n1)[C@@H]1CCOC1 1094008982 GDRCHZJSSLZADV-RISCZKNCSA-N 319.365 -0.260 30 20 DBED COCC(=O)N[C@@H](C)C(=O)NCCNc1nc(C)cc(C#N)n1 1094185257 MWNQTSSSEXLAGY-JTQLQIEISA-N 320.353 -0.664 30 20 DBED N#Cc1cncc(NCCNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)n1 1094302244 ULWGNSXKKAQEMB-VHRBIJSZSA-N 317.349 -0.072 30 20 DBED N#Cc1c[nH]ccc1=NCCCNC(=O)C(=O)NCC1CC1 1094545676 OFXRUVPQIMRKTK-UHFFFAOYSA-N 301.350 -0.180 30 20 DBED Cc1ocnc1C(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1 1094711251 CISXGVJNTFNGQT-JTQLQIEISA-N 303.322 -0.479 30 20 DBED N#CCN1CC(N2C[C@@H](NC(=O)c3c[nH]c(C#N)c3)CC2=O)C1 1094722212 QFKKGZCVOZLEFB-LBPRGKRZSA-N 312.333 -0.575 30 20 DBED CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NCCCN=c1cc[nH]c(C#N)n1 1094786321 UYVQSEAUOUHVTJ-WDEREUQCSA-N 316.365 -0.587 30 20 DBED CC(=O)N(C)CC(=O)N1CC[C@@H](Nc2cnc(C#N)cn2)C1 1095020258 QPTWBZGYIUCRJL-LLVKDONJSA-N 302.338 -0.161 30 20 DBED CN(CCCNC(=O)[C@H]1CCCNC1=O)c1ccnc(C#N)n1 1095665294 HPJFESCQEZOVPL-NSHDSACASA-N 316.365 -0.183 30 20 DBED C#CCCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cnc(O)n(C)c1=O 1095857639 GUUCPXSZJFNLGO-WXHSDQCUSA-N 316.361 -0.156 30 20 DBED N#Cc1ccc(N(CCCNC(=O)CNC(N)=O)C2CC2)nn1 1096001870 YLTMIUSOBMMDPC-UHFFFAOYSA-N 317.353 -0.508 30 20 DBED N#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H]1CCc2nnnn2CC1 1096040263 APGHVHUBJZGNKV-NDBYEHHHSA-N 315.381 -0.129 30 20 DBED C[C@@H](CC(N)=O)C(=O)N1CC[C@H](N=c2cc[nH]c(C#N)n2)C1 1096973300 KJIHYFZNGJUULT-UWVGGRQHSA-N 302.338 -0.706 30 20 DBED N#Cc1cnccc1N1CCC[C@@H](CNC(=O)CNC(N)=O)C1 1097286664 OPOWTASCJSRUBS-NSHDSACASA-N 316.365 -0.046 30 20 DBED C[C@@H](CNC(=O)[C@]1(C)CCC(=O)N1)N=c1cc[nH]cc1C#N 1098238027 MSEIUTCMBBDWMQ-BONVTDFDSA-N 301.350 -0.040 30 20 DBED Cn1cc(OCC(=O)N2CCC(N(CC#N)CCO)CC2)cn1 1098460584 MQFJYONZVVCENZ-UHFFFAOYSA-N 321.381 -0.392 30 20 DBED C=CCOCCN1CC[C@@H](NC(=O)c2nccnc2N)[C@H](O)C1 1099748875 DABNCMREOUSBIX-VXGBXAGGSA-N 321.381 -0.574 30 20 DBED C#CCCCC(=O)N[C@H]1CCN(CC(=O)NCC2CC2)C[C@H]1O 1099806809 GRGGCSYHCSFKRB-LSDHHAIUSA-N 321.421 -0.133 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)CC(C)(C)C=C)[C@H](O)C1 1099846862 CWOHBPRMQZPLBT-UONOGXRCSA-N 321.421 -0.111 30 20 DBED CC#CCN1CC[C@H](NC(=O)COc2cc(C)on2)[C@@H](O)C1 1099884757 CBMNDICHBVPSQK-STQMWFEESA-N 307.350 -0.063 30 20 DBED C#CCCN1CC[C@@H](NC(=O)CCNC(=O)C2CCC2)[C@H](O)C1 1100032110 OZKTXLDRQMMTBF-HUUCEWRRSA-N 321.421 -0.133 30 20 DBED CN(CCNC(=O)[C@H]1CC[C@H]1C(N)=O)c1cncc(C#N)n1 1100269329 VIJUAPXGMFBPAO-MNOVXSKESA-N 302.338 -0.588 30 20 DBED CC[C@@H](NC(C)=O)C(=O)NCCN(C)c1nccnc1C#N 1100339842 CRFMTPZABAXSAV-LLVKDONJSA-N 304.354 -0.185 30 20 DBED CN(CCNC(=O)[C@@]1(C)CCNC(=O)C1)c1nccnc1C#N 1100398501 KMEHKYUPIWJFMC-HNNXBMFYSA-N 316.365 -0.183 30 20 DBED C#CCCNC1CC(CNC(=O)CC[C@@H]2NC(=O)NC2=O)C1 1100959490 WGSHLPNWDJTXAX-MCIGGMRASA-N 306.366 -0.518 30 20 DBED C=CCN1C[C@@H]2CN(C(=O)CS(=O)(=O)NC)C[C@]2(C)C1 1101464028 PTOYAYRLDUOOCR-YPMHNXCESA-N 301.412 -0.498 30 20 DBED COCC(=O)N[C@@H](C)C(=O)N(C)CCNc1ccc(C#N)cn1 1102008546 XEIOASFTLAMCQX-NSHDSACASA-N 319.365 -0.025 30 20 DBED C=CCNCc1cn(C2CN(C(=O)CO[C@@H]3CCOC3)C2)nn1 1105238249 RROPDNMANWDWNL-CQSZACIVSA-N 321.381 -0.258 30 20 DBED CN(C)[C@@H](C(=O)N1CC(n2cc(CNCC#N)nn2)C1)C1CC1 1105259672 HXDHVYFFEUKSTK-CQSZACIVSA-N 317.397 -0.385 30 20 DBED Cc1nc(N(C)CCN(C)C(=O)CNC(N)=O)ccc1C#N 1105321807 LVHPUVJWEMMMMZ-UHFFFAOYSA-N 304.354 -0.175 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(n2cc(CNCC#N)nn2)C1 1105328369 AYZAHXQNLQDTBP-KGLIPLIRSA-N 316.365 -0.134 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)c2cc[n+]([O-])cc2)nn1 1105714597 CXKNTAOTBJFQJM-GFCCVEGCSA-N 314.305 -0.816 30 20 DBED N#Cc1nc(=NC[C@@H](O)CNC(=O)C[C@H]2CCCO2)cc[nH]1 1105719022 WKVAVMBAYMOERA-GHMZBOCLSA-N 305.338 -0.772 30 20 DBED CC(=O)N(C)CC(=O)NC[C@@H](O)CNc1ccc(C#N)cn1 1105778467 RGMDVVOQGFIZAG-LBPRGKRZSA-N 305.338 -0.679 30 20 DBED Cc1ccnc(C(=O)NC[C@@H](O)CNc2cnc(C#N)cn2)n1 1105804442 RKJHDYLOELTOIJ-NSHDSACASA-N 313.321 -0.351 30 20 DBED Cc1nnc(CC(=O)NC[C@H](O)CNc2ccc(C#N)cn2)o1 1105815370 HKSHYDCHEWIZGV-LLVKDONJSA-N 316.321 -0.224 30 20 DBED N#Cc1cccnc1NC[C@@H](O)CNC(=O)C[C@H]1COC(=O)C1 1105819560 GDXMPKHAQNOKGF-PWSUYJOCSA-N 318.333 -0.205 30 20 DBED Cc1nsc(NC[C@@H](O)CNC(=O)c2nc[nH]n2)c1C#N 1105932610 POLKCMFVPLMJIS-ZETCQYMHSA-N 307.339 -0.356 30 20 DBED C[C@@]1(C(=O)NC[C@@H](O)CNc2ccc(C#N)nc2)CNC(=O)C1 1106028254 PBBJRDXWZNDVTP-WFASDCNBSA-N 317.349 -0.632 30 20 DBED Cc1nn[nH]c1C(=O)NC[C@H](O)CNc1ncccc1C#N 1106035254 GRLIMGSBZGOXMV-SNVBAGLBSA-N 301.310 -0.417 30 20 DBED CC[C@H](NC(C)=O)C(=O)NCc1cn(C2CN(CC#N)C2)nn1 1107214605 ZPVSSUAYAFEASL-ZDUSSCGKSA-N 319.369 -0.811 30 20 DBED C=CCN1CC(n2cc(CNC(=O)COCCOCC)nn2)C1 1107238554 CBZHQADMKOFHSJ-UHFFFAOYSA-N 323.397 -0.010 30 20 DBED C[C@@]1(C(=O)NC/C=C\CNc2cncc(C#N)n2)CCNC1=O 1107508316 CUZSUXFKYMVETD-GWQWAINWSA-N 314.349 -0.041 30 20 DBED COCC#CCN1CCO[C@@](C)(CNC(=O)c2cnccn2)C1 1107704838 TXKFBTJUCLEABF-INIZCTEOSA-N 318.377 -0.053 30 20 DBED COc1cc(C(=O)N[C@H](C)CN=c2cc[nH]c(C#N)n2)ncn1 1107944850 IETXVSRIAINULC-SECBINFHSA-N 313.321 -0.201 30 20 DBED C=C(C)CN1CCO[C@@](C)(CNC(=O)C[C@@H]2NC(=O)NC2=O)C1 1108001777 MWGXXYMYSSZOGR-NHYWBVRUSA-N 324.381 -0.632 30 20 DBED Cc1cc(=NC[C@H](C)NC(=O)[C@H]2COCCN2C)c(C#N)c[nH]1 1108319971 OINYYZGTUGQXLF-SWLSCSKDSA-N 317.393 -0.069 30 20 DBED CNC(=O)NC(C)(C)C(=O)N[C@@H](C)CN=c1cc[nH]c(C#N)n1 1108405697 OAOHECQOFPIJIU-VIFPVBQESA-N 319.369 -0.606 30 20 DBED C#CCCN1CC(N2C[C@H](NC(=O)[C@@H](COC)OC)CC2=O)C1 1108569463 JBSIFUZDXSFVSB-TZMCWYRMSA-N 323.393 -0.928 30 20 DBED C[C@@H](CNc1cnc(C#N)cn1)NC(=O)[C@H]1CN(C)C(=O)N1 1108636204 WPYOQGXZCFNXLR-WCBMZHEXSA-N 303.326 -0.712 30 20 DBED C[C@@H](CN(C)c1nccnc1C#N)NC(=O)[C@H]1CN(C)CCO1 1108906129 XJZTYRVUKZICGE-WCQYABFASA-N 318.381 -0.380 30 20 DBED N#Cc1ccc(NC[C@H](NC(=O)CNC(N)=O)C2CC2)cn1 1109753526 BIBAXVUMSFPPEI-LBPRGKRZSA-N 302.338 -0.072 30 20 DBED N#Cc1nccnc1NC[C@@H](NC(=O)[C@@H]1CNC(=O)N1)C1CC1 1109963670 MHHPYVUCPDRQOH-MNOVXSKESA-N 315.337 -0.664 30 20 DBED CNC(=O)NCC(=O)N[C@H](CN=c1cc[nH]c(C#N)n1)C1CC1 1110004923 CSTGWWFZUMSMQU-SNVBAGLBSA-N 317.353 -0.994 30 20 DBED CNC(=O)NCCC(=O)NCC1(N=c2cc[nH]cc2C#N)CC1 1110129445 HIHAUYXWKPVILL-UHFFFAOYSA-N 316.365 -0.245 30 20 DBED Cc1nc[nH]c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1110207521 FEZAUKGTFXWWAP-WOPDTQHZSA-N 316.365 -0.307 30 20 DBED CCC(=O)NCC(=O)N[C@@]1(C)CCN(c2nccnc2C#N)C1 1110733764 RJFNDWJZUMXXJN-HNNXBMFYSA-N 316.365 -0.041 30 20 DBED COCCC(=O)NC[C@@]1(O)CCN(c2nccnc2C#N)C1 1111016176 ZQFJERAMLWZLER-AWEZNQCLSA-N 305.338 -0.558 30 20 DBED N#Cc1c(F)cccc1N1CCOC[C@@H]1CNC(=O)CC(N)=O 1111679162 GDJVJGJXFCFEQE-JTQLQIEISA-N 320.324 -0.106 30 20 DBED CC(=O)NCC(=O)N1CCO[C@@H](CNc2cncc(C#N)n2)C1 1111930189 YOHPCUVIGGNNTI-LBPRGKRZSA-N 318.337 -0.876 30 20 DBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)c2ccn(C)c2)CC1 1112767415 REJCJRLDMBYWQS-ZDUSSCGKSA-N 302.378 -0.079 30 20 DBED C=C[C@@](C)(O)CC(=O)N1CCN([C@@H]2CCC(=O)NC2=O)CC1 1112813854 CFYZOOYPZVJBLZ-IAQYHMDHSA-N 309.366 -0.737 30 20 DBED COCC#CCN1CCN(C(=O)CNC(=O)c2ccoc2)CC1 1112875812 IGAUDCDFQWZXGT-UHFFFAOYSA-N 319.361 -0.197 30 20 DBED C[C@H](N=c1cc[nH]cc1C#N)[C@H](C)NC(=O)Cn1cnnc1O 1112977629 CVNOVSAXQPEAEN-UWVGGRQHSA-N 315.337 -0.322 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2ocnc2CC)CC1 1113326349 OJAZWARMPFOLTC-UHFFFAOYSA-N 304.350 -0.256 30 20 DBED Cc1cc(C#N)nc(N(C)[C@H](C)CNC(=O)c2nnn(C)n2)n1 1113814361 BMCPFZGLIGVJMY-SECBINFHSA-N 315.341 -0.565 30 20 DBED CC(=O)CCCC(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21 1113857527 MIQUUORHRRMVSZ-JYAVWHMHSA-N 306.366 -0.568 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)c3cc(C)nn3C)[C@H]2C1 1113943373 WRWDMMWJTZLZAM-JYAVWHMHSA-N 315.377 -0.862 30 20 DBED C=CCOCC(=O)NC1[C@H]2CN(CCN3CCCC3=O)C[C@H]12 1114034213 GFIQWCIZHXOBPH-STQMWFEESA-N 307.394 -0.142 30 20 DBED C=CCOCC(=O)N[C@H]1[C@@H]2CN([C@H](C)C(=O)NC3CC3)C[C@@H]21 1114050798 JADJBQTYEFYDKH-PBOSXPJTSA-N 307.394 -0.098 30 20 DBED C=C(Cl)CN1C[C@@H]2C(NC(=O)CCNS(C)(=O)=O)[C@H]2C1 1114363649 HOUPLKMTYDTWRB-UWVGGRQHSA-N 321.830 -0.275 30 20 DBED C=C(C)CCN1C[C@@H]2C(NC(=O)CCn3ncn(C)c3=O)[C@H]2C1 1114619350 UUYRKNWMMARJIF-STQMWFEESA-N 319.409 -0.016 30 20 DBED C=CCNC(=O)CN1C[C@@H]2C(NC(=O)c3nocc3C)[C@H]2C1 1115073574 BWBOXRCUQDJVIV-QWRGUYRKSA-N 304.350 -0.055 30 20 DBED C[C@H](NC(=O)c1ccco1)C(=O)N[C@H]1[C@@H]2CN(CC#N)C[C@@H]21 1115268280 SULDKLWZYDNICF-MEWQQHAOSA-N 302.334 -0.032 30 20 DBED C[C@H](CN(C)C(=O)c1cc(=O)n(C)o1)N=c1cc[nH]c(C#N)n1 1115672851 FWIWQRNPNWUEGQ-SECBINFHSA-N 316.321 -0.366 30 20 DBED CNC(=O)[C@@H]1CN(Cn2nc(CC#N)n(C)c2=S)CCO1 1116886946 VGLPVNPHULNZGF-VIFPVBQESA-N 310.383 -0.579 30 20 DBED N#CCNC(=O)CNC(=O)NC1CCN(C[C@H]2CCCO2)CC1 1117477527 IKTPORSEPIBTSJ-CYBMUJFWSA-N 323.397 -0.431 30 20 DBED C=CCN(CC=C)C(=O)C(=O)NC[C@H]1CC[C@@H](C(=O)N(C)C)O1 1117632694 SGADYIMTZQWXNA-OLZOCXBDSA-N 323.393 -0.061 30 20 DBED C=CCOCCNC(=O)C(=O)N1CCC(CO)(OC)CC1 1118442886 GJDZFGXPJHLEQM-UHFFFAOYSA-N 300.355 -0.695 30 20 DBED Cc1cc(C(=O)NC[C@@H](CO)Nc2cncc(C#N)n2)cnn1 1121359808 NGBKJLPITYRFNT-LBPRGKRZSA-N 313.321 -0.351 30 20 DBED N#Cc1ccc(N[C@@H](CO)CNC(=O)C[C@H]2CCNC2=O)nc1 1122192329 XPOXGWBGOGDKNE-VXGBXAGGSA-N 317.349 -0.632 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)c1ccco1 1122661833 SKDWRIAVZPYCCL-JTQLQIEISA-N 308.338 -0.001 30 20 DBED CC(=O)N(C)CC(=O)N1C[C@H](N=c2cc[nH]c(C#N)n2)C[C@@H]1C 1123156838 LCXFTOLRBDWELY-CMPLNLGQSA-N 316.365 -0.350 30 20 DBED C[C@@H](C#N)C(=O)NCCN[C@@H](C)C(=O)NC(=O)NC(C)(C)C 1124895319 FYBJZIXUGCAMMO-UWVGGRQHSA-N 311.386 -0.135 30 20 DBED CN(C[C@H](O)CN(C)c1nccnc1C#N)C(=O)c1cnn[nH]1 1125374690 ZHZCLGFMCVVXHX-SECBINFHSA-N 316.325 -0.964 30 20 DBED COCCN(CCNC(=O)CNC(N)=O)c1ccc(C#N)nc1 1126192147 XAXBBECXIQMNNV-UHFFFAOYSA-N 320.353 -0.809 30 20 DBED C#CCCCC(=O)NCCNC[C@@H](O)CN1C(=O)CCC1=O 1126344147 OIRBNMFOHYAYIF-GFCCVEGCSA-N 309.366 -0.994 30 20 DBED CC(C)C#CC(=O)NCCNC[C@@H](O)COC[C@@H]1CCCO1 1126823072 OCFHDKQPMBMHNP-CABCVRRESA-N 312.410 -0.092 30 20 DBED C#CCO[C@H](C)C(=O)NCCNCC(=O)N(C)Cc1ccco1 1127052461 YBDSEKPQJQDTLS-CYBMUJFWSA-N 321.377 -0.018 30 20 DBED C=CCN[C@H]1CCN(c2cccc(CNC(=O)CC(N)=O)n2)C1 1127826857 KTDMPAHMXQOHKG-ZDUSSCGKSA-N 317.393 -0.073 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CCc2nnc(CNCCO)n2CC1 1127965347 SMFRSVQDEBLBEG-MNOVXSKESA-N 306.370 -0.659 30 20 DBED C=CCCNCc1nnc2n1CC[C@@H](NC(=O)CC(N)=O)CC2 1127983842 CFDCOVYQVOZHMP-NSHDSACASA-N 320.397 -0.360 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)c1cnn2c1CCC2 1128931602 RSXDINMMCMDXQX-NSHDSACASA-N 303.366 -0.713 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)c1cn(C)c(C)cc1=O 1129987930 RNKAEZADBOAKJN-LBPRGKRZSA-N 320.393 -0.296 30 20 DBED C=CCN1CC[C@@H](NCCNC(=O)[C@H]2CCCCN2C)C1=O 1130300154 JLJJHTVYMNJDCK-ZIAGYGMSSA-N 308.426 -0.037 30 20 DBED Cn1cnn(CC(=O)NCCNCC#Cc2ccccc2)c1=O 1130590729 DWUVMNCFQJZWNI-UHFFFAOYSA-N 313.361 -0.661 30 20 DBED C#CCNC(=O)[C@H](C)NCCNC(=O)CCc1ccnc(C)n1 1131763487 VWBYLBPVVDJDCE-LBPRGKRZSA-N 317.393 -0.439 30 20 DBED C#CCNC[C@@H]1CN(C(=O)CCn2ncn(C)c2=O)CC[C@H]1C 1132996525 BWXFAEAVOHOPJD-ZIAGYGMSSA-N 319.409 -0.321 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1cnn(C(F)F)c1 1135801473 MPXDIWMQNRQMND-SECBINFHSA-N 313.308 -0.265 30 20 DBED C=CCNC(=O)[C@@H](C)NCCNC(=O)c1ccc(OC)nn1 1146678704 RAWPGBISOWSWOS-SNVBAGLBSA-N 307.354 -0.505 30 20 DBED C=CCNC(=O)CNCCNC(=O)C[C@H](OC)C(F)(F)F 1146934192 UWFFETRZWSEUDF-VIFPVBQESA-N 311.304 -0.038 30 20 DBED C#CCN1CCC2(C1)CN(C(=O)[C@@H](CCC)S(N)(=O)=O)C2 1147985470 IFKMLBHTEKAARH-GFCCVEGCSA-N 313.423 -0.389 30 20 DBED C=CCOCCN1CCCO[C@H](CNC(=O)CNC(N)=O)C1 1149136380 GTZUHTWTEWBWHS-GFCCVEGCSA-N 314.386 -0.936 30 20 DBED CC#CCN1CCCO[C@@H](CNC(=O)C2(C(=O)NC)CC2)C1 1150446060 ZYPSZTKURJZGHR-ZDUSSCGKSA-N 307.394 -0.257 30 20 DBED C#CCN1CCCO[C@@H](CNC(=O)CCN2CCOCC2)C1 1150452242 CHQAQFRKBFEGRX-HNNXBMFYSA-N 309.410 -0.451 30 20 DBED COCCC1(NC(=O)[C@@H]2COCCN2C)CCN(CC#N)CC1 1151075233 PSTZYTKHOFHDOT-AWEZNQCLSA-N 324.425 -0.172 30 20 DBED Cc1cc(C)n([C@@H](C)CC(=O)NCCNCC(=O)NCC#N)n1 1151129599 ICTSYCHROFRLDU-ZDUSSCGKSA-N 320.397 -0.203 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H](C)c1cnn(C)c1 1154005742 CEVBDRLBXMJNEG-NWDGAFQWSA-N 305.382 -0.633 30 20 DBED C#CCNC(=O)CC(=O)NCCCNCCc1cnn(CC)c1 1156847972 MZIXYFLGVUKBQK-UHFFFAOYSA-N 319.409 -0.319 30 20 DBED C[C@H](NC(=O)CNCCCNC(=O)C#CC1CC1)C(=O)N(C)C 1157719049 POWXTLCZZXIFMK-LBPRGKRZSA-N 322.409 -0.911 30 20 DBED C#CCN1CC=C(CCNC(=O)Cn2cnc(C(N)=O)n2)CC1 1160169733 ZKQBJGVHKQCRDY-UHFFFAOYSA-N 316.365 -0.851 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCCN[C@H](C)c1nnnn1C 1160209716 UJNVQTSOBFHZAE-OLZOCXBDSA-N 319.413 -0.535 30 20 DBED N#CCN1CC=C(CCNC(=O)CN2CCOCC2=O)CC1 1160392248 GEDBJSKPKSKQSB-UHFFFAOYSA-N 306.366 -0.493 30 20 DBED C#CCCN1CCO[C@@H]2CCN(C(=O)CNC(=O)C3CC3)C[C@@H]21 1176936048 BPPNYTJTGBYOBP-LSDHHAIUSA-N 319.405 -0.162 30 20 DBED C=CCNC(=O)CN[C@H]1CCN(C(=O)c2cn(C)nn2)[C@H]1C 1178614780 CVCAYOBXLDYZTI-QWRGUYRKSA-N 306.370 -0.690 30 20 DBED C#CCCN[C@H]1CCN(C(=O)CN2C(=O)CN(C)C2=O)[C@H]1C 1180084041 NVBUNMDXHWLMBJ-RYUDHWBXSA-N 306.366 -0.517 30 20 DBED C=CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H](C)NC(=O)CC)C1 1182766482 ZGBXPSAMMDAPHR-NWDGAFQWSA-N 310.398 -0.606 30 20 DBED C#CCNC(=O)CN[C@@H]1CCN(C(=O)CCCN2CCCC2)C1 1188106568 NAQOJAGTEUKUMK-OAHLLOKOSA-N 320.437 -0.198 30 20 DBED COCC#CCN[C@@H]1CCN(C(=O)c2cccc(C(N)=O)n2)C1 1188225678 YTHHXPKAVPHBRI-GFCCVEGCSA-N 316.361 -0.366 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@H]1CCN(C(=O)C2=COCCO2)C1 1188725741 FAEHWMRETSBNOZ-STQMWFEESA-N 321.377 -0.455 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)CCc2ccco2)C1 1191019681 PHIUJYVXBYZVFB-ZIAGYGMSSA-N 319.361 -0.877 30 20 DBED C=CCCC(=O)N[C@@H]1CN(Cc2nnc3n2CCOC3)C[C@H]1O 1191715178 SCZDBWRQVPUSQW-VXGBXAGGSA-N 321.381 -0.564 30 20 DBED C#CCCCCC(=O)N[C@@H]1CN([C@H](C)C(=O)NCC#C)C[C@H]1O 1192375116 RUGNICQKINFDIX-RBSFLKMASA-N 319.405 -0.521 30 20 DBED C#CCCCC(=O)N[C@@H]1CN([C@H](C)C(=O)NC2CC2)C[C@H]1O 1192524025 DCEILSULPTZIGM-MRVWCRGKSA-N 307.394 -0.382 30 20 DBED CC#CCN(C)[C@H]1CCN(C(=O)[C@H](CCC(N)=O)NC(C)=O)C1 1192876819 IXGRXNIEDXJIRY-KBPBESRZSA-N 322.409 -0.687 30 20 DBED N#CCNC(=O)CN1CCCN(C(=O)CC[C@H]2CCOC2)CC1 1195459165 GPDBGFQYKPCFRG-AWEZNQCLSA-N 322.409 -0.023 30 20 DBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C2(CF)CCC2)C1 1196307496 OXISNUGHFAOAQW-VXGBXAGGSA-N 311.357 -0.963 30 20 DBED C#CCCN1CCCN(C(=O)CCCN2C(=O)CNC2=O)CC1 1198065481 WROWKQYEWSAKLM-UHFFFAOYSA-N 320.393 -0.124 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)CCNC(=O)c2ccco2)C1 1198452080 XXRQXLKJANTQLF-CHWSQXEVSA-N 319.361 -0.416 30 20 DBED CNC(=O)NC(=O)[C@H](C)NC1CCN(C(=O)[C@H](C)C#N)CC1 1199815633 DBXOSCTWCFBQRB-ZJUUUORDSA-N 309.370 -0.429 30 20 DBED C=CCNC(=O)NC(=O)CNC1CCN(C(=O)[C@H](C)C#N)CC1 1199826149 HBUCEXOKWRMXET-LLVKDONJSA-N 321.381 -0.262 30 20 DBED C[C@@H]1CN(C)C[C@H](C(=O)N2CCCO[C@H](CNCC#N)C2)O1 1200796395 XHVJSQADYYFFPP-MGPQQGTHSA-N 310.398 -0.564 30 20 DBED N#CCNC(=O)CNC1CCN(C(=O)c2cc(F)c[nH]2)CC1 1201660524 RIIJELJHMPPCGO-UHFFFAOYSA-N 307.329 -0.012 30 20 DBED CC#CCNC[C@H]1CN(C(=O)COCCN(C)C)CCCO1 1201863189 IYVDOIUFEZDQNT-HNNXBMFYSA-N 311.426 -0.205 30 20 DBED COCC#CCN1C[C@@H](NC(=O)CCc2nc[nH]n2)[C@H](C)C1 1206850051 QPPYFISICKIAHU-CHWSQXEVSA-N 305.382 -0.176 30 20 DBED COC[C@H](O)CN1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@H](C)C1 1206875586 QWKMDUMBZDKRCT-MPKXVKKWSA-N 306.366 -0.056 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)CO[C@H]2CCOC2)C1 1208022518 ZYMJXTOQQUCILH-KGLIPLIRSA-N 323.393 -0.878 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)Cc2cncn2C)C1 1210666880 AITUIUDCUPDLBZ-CYBMUJFWSA-N 319.409 -0.155 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)c2ccoc2)[C@H](OC)C1 1211844719 IVGTYYUHXCZSJI-IACUBPJLSA-N 319.361 -0.154 30 20 DBED NC(=O)CC(=O)N[C@@H]1CN(CC#Cc2ccc(F)cc2)C[C@@H]1O 1219402555 BNMWAWLLESWLEE-KGLIPLIRSA-N 319.336 -0.786 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)[C@@H](C)NC(=O)C2CCCC2)C1 1219684381 MZFLRTCKXGFQLE-YUELXQCFSA-N 321.421 -0.134 30 20 DBED C=CCC[C@@H](C)N1C[C@H](O)[C@H](NC(=O)CS(=O)(=O)NC)C1 1220990925 HLTALWVHFOTEEG-UTUOFQBUSA-N 319.427 -0.948 30 20 DBED CC#CCN1C[C@H](O)[C@H](NC(=O)CNC(=O)c2ccsc2)C1 1221005483 KYEDJRJYJLVTOZ-OLZOCXBDSA-N 321.402 -0.338 30 20 DBED CN(C)C(=O)CN1CC[C@@H]2CN(C(=O)CSCC#N)[C@@H]2C1 1221289237 KKLBLSDJTUVOAW-VXGBXAGGSA-N 310.423 -0.136 30 20 DBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)C3=CCOCC3)[C@@H]2C1 1221496944 HERZLPMXHSGWBR-HUUCEWRRSA-N 317.389 -0.385 30 20 DBED N#CCNC(=O)CN1CC[C@@H]2CCN(C(=O)[C@H]3CCOC3)C[C@@H]21 1222362242 NCPAZLLGVGMVKX-RDBSUJKOSA-N 320.393 -0.415 30 20 DBED N#CCN1CCC(CNC(=O)CCn2cc[nH]c(=O)c2=O)CC1 1224855795 UJFODXZCBMNSFA-UHFFFAOYSA-N 319.365 -0.722 30 20 DBED C#CCNC(=O)[C@H](C)N1CCC(NC(=O)c2cnccn2)CC1 1225855754 YERMSXSTKZRRCM-LBPRGKRZSA-N 315.377 -0.191 30 20 DBED C#CCO[C@@H](C)C(=O)NC1CCN([C@H]2CCCNC2=O)CC1 1227342192 KEUSDCMDBKLRKV-JSGCOSHPSA-N 307.394 -0.116 30 20 DBED C#CCNC(=O)CC(=O)N(C)C[C@H]1CCN1Cc1nnc(C)o1 1233810020 NUCHOPRHSSETIQ-GFCCVEGCSA-N 319.365 -0.450 30 20 DBED C#CCNC(=O)CC(=O)N(C)C[C@@H]1CCN1Cc1nc(C)no1 1233811460 XITURGZSLHQWRF-LBPRGKRZSA-N 319.365 -0.450 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)c1ncccc1O 1233838813 WTWCFOZIVHGKBA-GFCCVEGCSA-N 316.361 -0.317 30 20 DBED C#CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)CC1OCCCO1 1233916335 WVHBCXFDNDKTKQ-CYBMUJFWSA-N 323.393 -0.578 30 20 DBED N#C[C@@H]1CN(C(=O)C(=O)NCCCNc2ccccn2)CCO1 1321648927 VWICEUXLQAKOJX-GFCCVEGCSA-N 317.349 -0.249 30 20 DBED CC(C)NC(=O)CCNC(=O)C(=O)Nc1ccn(CCC#N)n1 1322449966 PMMDDZSVTHCWGJ-UHFFFAOYSA-N 320.353 -0.234 30 20 DBED C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cnnn1C 1322460563 NMYLVAWCOWIHLH-VIFPVBQESA-N 320.396 -0.821 30 20 DBED Cc1c(C(=O)OCC(=O)NCC#N)nnn1Cc1ccncc1 1323696278 PDELVEWKMKPHST-UHFFFAOYSA-N 314.305 -0.174 30 20 DBED C#CC1CCN(C(=O)C(=O)N2CCC[C@H](OCCO)C2)CC1 1326263404 ICRZISHGDYZHOS-AWEZNQCLSA-N 308.378 -0.142 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H]2C[C@@H](OCC)C2)C1=O 1326413871 AAPPWSOMPNWCOV-XQQFMLRXSA-N 323.393 -0.085 30 20 DBED O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)NCC1CCC1 1326585543 LKBHPJAAJSTBML-OUKQBFOZSA-N 320.349 -0.455 30 20 DBED C=CC[C@@H](NC(=O)C(=O)NCc1nnn(C)n1)c1ccncc1 1328794992 XECZWNQAYVCVPB-LLVKDONJSA-N 315.337 -0.345 30 20 DBED CCCCCCCNC(=O)C(=O)N1CC[C@@H](S(N)(=O)=O)C1 1329832144 ZNJWUOPGAOWKMR-LLVKDONJSA-N 319.427 -0.038 30 20 DBED C[C@]1(CNC(=O)C(=O)NC2CCN(CC#N)CC2)CCOC1 1342075898 KPYCNGNBPICDEW-OAHLLOKOSA-N 308.382 -0.367 30 20 DBED C#CCSCCNC(=O)C(=O)NCCN1CCOC[C@H]1C 1342541474 SHGYXVMNCKTFKI-GFCCVEGCSA-N 313.423 -0.694 30 20 DBED COCC#CC(=O)N(C)C[C@@H](O)CNC(=O)OC(C)(C)C 1347794483 BSZMQYKUVUHDAS-NSHDSACASA-N 300.355 -0.020 30 20 DBED C=C(C)COCCNC(=O)C(=O)N[C@@H]1CCCN(CC)C1=O 1351446031 BRIUMAGNHVVDIU-GFCCVEGCSA-N 311.382 -0.178 30 20 DBED C[C@]1(C#N)CCCN(C(=O)C(=O)N2CCOC[C@H]2CCO)C1 1353106854 DTFKPJFLGHBMLO-IUODEOHRSA-N 309.366 -0.252 30 20 DBED C#CCN1CCC[C@@H](NC(=O)C(=O)Nc2cnn(C)c2C)C1 1353464242 HKSJHBNAFYLNGP-GFCCVEGCSA-N 303.366 -0.119 30 20 DBED CN(C)[C@H]1CCCN(C(=O)Cn2cc(C#N)c(O)nc2=O)CC1 1362584463 XMBFMFXTYHHOKA-LBPRGKRZSA-N 319.365 -0.237 30 20 DBED COC(=O)C1(C#N)CCN(C(=O)NCc2cnnn2C)CC1 1365639353 MKTNGKLDZGHOQQ-UHFFFAOYSA-N 306.326 -0.197 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1C[C@@H](NC(=O)CNC(=O)C2CC2)C1 1371704093 IMWSLFFDIYXHTB-JBLDHEPKSA-N 306.366 -0.317 30 20 DBED C[C@H](C#N)C(=O)NCC1(NCc2nc(=O)n(C)[nH]2)CCCC1 1374150630 GQPFAEGBSMDBSM-SNVBAGLBSA-N 306.370 -0.213 30 20 DBED CCN(CCC#N)C(=O)CN1CC(NC(=O)CN(C)C(C)=O)C1 1377867694 NXNPOHNGEPTBKZ-UHFFFAOYSA-N 323.397 -0.973 30 20 DBED C=C(Cl)CN1CC(O)(CNC(=O)CCNC(=O)COC)C1 1380599565 OGVYDIWIGTVFNW-UHFFFAOYSA-N 319.789 -0.946 30 20 DBED C=C(Br)CNC[C@H](O)CNC(=O)Cn1cccn1 1392356983 VCECOPSSOHMGCY-JTQLQIEISA-N 317.187 -0.142 30 20 DBED C[C@@H](C#N)C(=O)N[C@@H]1CCN(C(=O)c2cnc3[nH]nnc3c2)C1 1396940862 DMLYPLLPCUJZTD-WCBMZHEXSA-N 313.321 -0.157 30 20 DBED CC[C@@H](C(=O)NC1CN(CC(=O)N(CC)CCC#N)C1)N(C)C 1404830365 VWZSTSYWJYESNQ-AWEZNQCLSA-N 323.441 -0.111 30 20 DBED N#Cc1ccc(CN2CC(NC(=O)CCNC(N)=O)C2)cc1 1404841184 KFDAQFAYOMUHAH-UHFFFAOYSA-N 301.350 -0.083 30 20 DBED Cc1nccnc1CNC[C@H](O)CNC(=O)c1cc(C#N)c[nH]1 1406222731 XWEGPMQFLZBXJV-LBPRGKRZSA-N 314.349 -0.135 30 20 DBED COCCn1cc(C(=O)N2CC[C@@H](NC(=O)[C@H](C)C#N)C2)nn1 1407102526 JWDSCHCWMOUFBS-GHMZBOCLSA-N 320.353 -0.585 30 20 DBED N#Cc1cn(CCC(=O)N2CCOC3(CCC3)C2)c(=O)nc1O 1411925936 ACQWOBGYWLFEDD-UHFFFAOYSA-N 318.333 -0.008 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2[C@H](NC(=O)CNC(=O)C3CC3)[C@H]2C1 1415063274 RFKAPBBLZPTYMJ-MVVXRAEJSA-N 304.350 -0.755 30 20 DBED C=C(Cl)CN1CC[C@H](CNC(=O)Cn2ncn(C)c2=O)C1 1418666408 CFCLGERAEKEWQD-LLVKDONJSA-N 313.789 -0.228 30 20 DBED CNC(=O)NC(=O)[C@@H](C)N(C)CCCN(C)C(=O)[C@H](C)C#N 1421836121 CPQNAVHRPUSYFX-GHMZBOCLSA-N 311.386 -0.230 30 20 DBED CN(C[C@@H](O)CNCc1ccc(C#N)cc1)C(=O)c1cnn[nH]1 1423471335 WXIKNEJEEAYIKI-ZDUSSCGKSA-N 314.349 -0.101 30 20 DBED C[C@@H](CN(C)C(=O)c1ccc(C(N)=O)nc1)NC(=O)[C@@H](C)C#N 1425113732 TWRFJSPKCHLPGU-UWVGGRQHSA-N 317.349 -0.083 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCN(C)C(=O)c1ccc(=O)n(C)n1 1433236344 QKLOONKTNCOMDZ-JTQLQIEISA-N 305.338 -0.530 30 20 DBED C=C(Cl)CN1CCO[C@H](CNC(=O)Cn2ncnn2)C1 1438562992 BMTXUAUXGOJXOJ-SNVBAGLBSA-N 300.750 -0.757 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H]1CCN(C(=O)CN2CCCNC2=O)C1 1446648345 ZOIGEMKMWFXIOD-NEPJUHHUSA-N 321.381 -0.379 30 20 DBED CCN(C(=O)CN1CCOCC1)[C@H]1CCN(C(=O)[C@@H](C)C#N)C1 1498808406 CHCSQJBHQRIJIA-KBPBESRZSA-N 322.409 -0.072 30 20 DBED C[C@H](CN(C)C(=O)c1cc(C#N)c[nH]1)NC(=O)c1cnn(C)n1 1510510893 XSVLDISEKIOFLS-SECBINFHSA-N 315.337 -0.095 30 20 DBED C[C@H](CN(C)C(=O)Cn1ncnn1)NC(=O)c1c[nH]c(C#N)c1 1510582514 RACYZVCQWAPOID-SECBINFHSA-N 316.325 -0.850 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2CC(=O)N(C)C2)C1 1514931861 XEXBYMJRCBEYAA-NNYUYHANSA-N 306.366 -0.365 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](C)CNC(=O)c1cc(C(N)=O)ccn1 1532298748 OXMUQLRXWPXYFV-ZJUUUORDSA-N 317.349 -0.178 30 20 DBED COC(=O)[C@@]1(F)CCN(c2cnc(C#N)c(-c3nn[nH]n3)n2)C1 1579438428 HMRRKOZLJSUGMI-GFCCVEGCSA-N 318.272 -0.380 30 20 DBED C=CC(C)(C)CC(=O)NCC1(O)CN(C(=O)[C@H]2C[C@H]2C(=O)O)C1 1588672892 DBPLJFXZFLBGIV-WDEREUQCSA-N 324.377 -0.001 30 20 DBED N#Cc1nc(NC(=O)CCc2cnccn2)[nH]c1-c1nn[nH]n1 1592683209 NOAKLUHSCLQWAD-UHFFFAOYSA-N 310.281 -0.177 30 20 DBED COC(=O)[C@@H]1CC[C@@H](C(=O)O)CN1C(=O)Cn1cnc(C#N)n1 1598764974 GNQCWOQGBRRISI-BDAKNGLRSA-N 321.293 -0.985 30 20 DBED N#Cc1cccc([C@H](C(=O)O)N2CCN(C(=O)CO)CC2)c1 1601119112 NYOBVZYJBUMCKV-CQSZACIVSA-N 303.318 -0.180 30 20 DBED C#CC1CCN(C(=O)C(=O)N2CC[C@@](COC)(C(=O)O)C2)CC1 1602674747 CGYQLJNRGDIQQO-MRXNPFEDSA-N 322.361 -0.192 30 20 DBED C=CCNC(=O)[C@H](C)N1CCN([C@]2(C(=O)O)CCOC2)CC1 1602901348 GFGIYFPLYXASNK-SWLSCSKDSA-N 311.382 -0.462 30 20 DBED Cc1c(C(=O)N2CCN(C(=O)C(=O)O)CC2)cnn1CCC#N 1605077412 VSXBCQOTCPJNAT-UHFFFAOYSA-N 319.321 -0.526 30 20 DBED O=C(O)CNC(=O)CNC(=O)C#Cc1ccc2c(c1)OCO2 1610782359 XUBHRCPOYUMERB-UHFFFAOYSA-N 304.258 -0.916 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N2CCc3ncncc3C2)CCO1 1647372065 RJCRLQDXRYHJLC-LLVKDONJSA-N 309.351 -0.696 30 20 DBED Cn1c(-c2ccnc(C#N)c2)nnc1N1CCO[C@H](C(N)=O)C1 1649245454 MYJUOLYYTJQVDM-NSHDSACASA-N 313.321 -0.561 30 20 DBED CC#CCNC[C@H]1CCCCN1C(=O)CN1CCOCC1=O 1713263643 XWQSBVVGPVPCND-CQSZACIVSA-N 307.394 -0.161 30 20 DBED N#CCNC(=O)CNC[C@H]1CCCCN1C(=O)[C@@H]1[C@H]2COC[C@H]21 1731548770 WXTPOGRAQHXAQD-CXTNEJHOSA-N 320.393 -0.511 30 20 DBED C=CCNC(=O)CN1CCCC[C@H]1CNC(=O)c1cn(C)nn1 1752818461 CKUXWTBQBIDUQC-LBPRGKRZSA-N 320.397 -0.298 30 20 DBED CC[C@@H](C)OCC(=O)NC[C@@H]1CCN(CC(=O)NCC#N)C1 1753122317 KHNKFRLBABVYHO-OLZOCXBDSA-N 310.398 -0.121 30 20 DBED CN(CC(=O)NCC#N)C[C@H]1CCN(C(=O)C2CCOCC2)C1 1753346667 JSEPTKCHHAOPPM-CYBMUJFWSA-N 322.409 -0.167 30 20 DBED C#CCCCC(=O)N1CC[C@H]2[C@@H](CCN2CC(=O)NC(N)=O)C1 1753873233 VFIRMGOCHJLHRB-STQMWFEESA-N 320.393 -0.092 30 20 DBED CC#CCNC[C@H](O)CNC(=O)[C@H]1CNC(=O)c2ccccc21 1753914054 OZAZDGXPXDNSMO-WFASDCNBSA-N 315.373 -0.396 30 20 DBED CCN1C[C@@H](C(=O)N[C@H](C)CCNCC#CCOC)CC1=O 1753981756 FPRCIUYZCUJLCN-KGLIPLIRSA-N 309.410 -0.011 30 20 DBED C=CCN1CC[C@@H](N2CC[C@@H]2CNC(=O)CCNC(N)=O)C1=O 1754503066 STLGFXBKBMJSTJ-VXGBXAGGSA-N 323.397 -0.978 30 20 DBED N#CCN1CC[C@](O)(CNC(=O)C[C@H]2CCCS2(=O)=O)C1 1754755636 BHPQMWNKMRFGOG-YPMHNXCESA-N 315.395 -0.970 30 20 DBED CN(CC(=O)NCC1(O)CN(CC#N)C1)C(=O)c1cccs1 1754768618 UZUQAWVOXROSAY-UHFFFAOYSA-N 322.390 -0.493 30 20 DBED COCC#CCN[C@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@H]1C 1755114744 VZMARXFXQULVAF-YPMHNXCESA-N 304.350 -0.530 30 20 DBED C=CCCCN1CC(CCO)(NC(=O)C2CS(=O)(=O)C2)C1 1755333448 KTFFJTRHVCBJLV-UHFFFAOYSA-N 316.423 -0.450 30 20 DBED C[C@H](CN(C)C(=O)c1c[nH]c(C#N)c1)N[C@@H]1CCC(=O)NC1=O 1755580685 BOMZQHGVDPWODE-BXKDBHETSA-N 317.349 -0.258 30 20 DBED C#Cc1ccccc1CC(=O)N1CC([C@H](C)NC(=O)C(N)=O)C1 1756155108 OWHGXWCMQMCMLR-NSHDSACASA-N 313.357 -0.341 30 20 DBED C=CCCOCC(=O)N1C[C@@H](NC(=O)C2(C(N)=O)CC2)C[C@@H]1C 1756593051 PTSOCUYBRSCYPB-RYUDHWBXSA-N 323.393 -0.050 30 20 DBED C=CCCC(=O)N[C@@H]1CN(C(=O)CCc2cn[nH]c2)C[C@@H]1O 1757160663 ADXVVICWMKQVCL-OLZOCXBDSA-N 306.366 -0.004 30 20 DBED CC(=O)O[C@@H]1CCN(S(=O)(=O)N[C@H](CCC#N)C(=O)O)C1 1776208725 BIJMEHLTLYZSAK-NXEZZACHSA-N 319.339 -0.785 30 20 DBED C[C@H](CC#N)N(C)S(=O)(=O)N1CCC[C@](O)(C(=O)O)C1 1776398572 UJCHYYANZFQKKG-MWLCHTKSSA-N 305.356 -0.623 30 20 DBED C[C@](O)(CNS(=O)(=O)c1cc(F)ccc1C#N)C(=O)O 1776462165 NOMFTRLUTPBUFM-NSHDSACASA-N 302.283 -0.189 30 20 DBED N#CCC(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3C[C@@H](O)C3)C2)C1 1778128427 AJEGZTUCQZLQET-TYNCELHUSA-N 307.350 -0.499 30 20 DBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCOC3)C2)C1 1839810992 AFKZXEHVBWJDTG-CJNGLKHVSA-N 322.361 -0.888 30 20 DBED O=C(O)C#CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1csnn1 1847895157 GOGOSHAXPZVTFL-UWVGGRQHSA-N 320.330 -0.559 30 20 DBED Cn1c(NCCCOC[C@H]2CCOC2)c(C#N)c(=O)n(C)c1=O 77229981 JGSVNNUEXVAYNS-LLVKDONJSA-N 322.365 -0.189 30 20 DBED C=CCNC(=O)CN1CCN(C(=O)c2cc(COC)on2)CC1 79377458 MRMCHQPJARFUFT-UHFFFAOYSA-N 322.365 -0.119 30 20 DBED C/N=C(/NCC(=O)N(C)C)N[C@H]1CCCN(c2ncccn2)C1 262308363 PEHYTJWSHILELM-LBPRGKRZSA-N 319.413 -0.301 30 20 DBED C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCNC(=O)C1 272632146 YYJJQQUOLVKDRY-JTQLQIEISA-N 316.317 -0.126 30 20 DBED C#CCCCCC(=O)N1CCS(=O)(=O)C[C@H]1C(=O)OC 275288775 OFHNALPOAPPIRI-NSHDSACASA-N 301.364 -0.021 30 20 DBED C[C@H]1OCC[C@@]12CN(c1c(C#N)c(=O)n(C)c(=O)n1C)CCO2 280395628 HYVXQXFJJNXBLK-MEBBXXQBSA-N 320.349 -0.660 30 20 DBED CC[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccc(C#N)cn1 293484712 SRTDTWMILNTIJK-SNVBAGLBSA-N 301.306 -0.371 30 20 DBED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCOCC2)cn1 313518146 ILZPGUSSSPFULJ-UHFFFAOYSA-N 310.335 -0.910 30 20 DBED C=C[C@H]1CCCCN1CC(=O)c1c(N)n(C)c(=O)n(C)c1=O 331152730 OSQBJIGVYISANE-JTQLQIEISA-N 306.366 -0.111 30 20 DBED Cc1noc([C@H](C)NS(=O)(=O)N2CCO[C@@H](C#N)C2)n1 336927626 WTTXFLZPPPQUCI-CBAPKCEASA-N 301.328 -0.502 30 20 DBED COCCN1CC[C@@H](NS(=O)(=O)N(C)C[C@@H](C)C#N)C1 337200401 ZOYMMFQXTNRAEG-NWDGAFQWSA-N 304.416 -0.367 30 20 DBED Cc1cccc(NC(=O)C(=O)NCCC(=O)NC(N)=O)c1C#N 340755821 USMQMSUOOIMXKO-UHFFFAOYSA-N 317.305 -0.494 30 20 DBED N#Cc1ncn(CCNC(=O)NCCn2cc([N+](=O)[O-])cn2)n1 345629327 SYWRAJVHMUDNNH-UHFFFAOYSA-N 319.285 -0.746 30 20 DBED N#Cc1ccc(NCC(=O)N2CC[C@@H](S(N)(=O)=O)C2)cc1 351851095 UHDULAYQXLLEIQ-GFCCVEGCSA-N 308.363 -0.140 30 20 DBED C[C@@H]1CN(C(=O)NCC(=O)NCC#N)CCN1CC(F)(F)F 358273715 KMIDZPMHFJPPGW-SECBINFHSA-N 321.303 -0.096 30 20 DBED C[C@H](C#N)N(C)S(=O)(=O)c1cnc2c(c1)c(O)nc(=O)n2C 359010218 OEEZKKHUEQCLAN-SSDOTTSWSA-N 323.334 -0.433 30 20 DBED COC(=O)[C@H](C)CNC(=O)C(=O)Nc1nn(C(C)C)cc1C#N 359142298 UUAJQLBFLKWEGM-SECBINFHSA-N 321.337 0.199 30 20 DBED N#C[C@@H]1N(CC(=O)N2CCNC(=O)C2)CCC[C@]12CCCCO2 366073838 PWQISOOKPPPFIN-XJKSGUPXSA-N 320.393 -0.128 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)N1CC[C@@H]2COC(=O)N[C@H]2C1 366873445 ZJAIRBSCUSGMKG-MXWKQRLJSA-N 310.354 -0.183 30 20 DBED CC[C@@H](C(=O)OC)N1CCN(S(=O)(=O)[C@H](C)C#N)CC1 416478840 FDRGVLYRUSDPDF-MNOVXSKESA-N 303.384 -0.203 30 20 DBED Cn1cc(S(=O)(=O)N[C@@H]2CC[C@H](C#N)C2)c(=O)n(C)c1=O 425189591 NTXFDLQOLJOYMI-DTWKUNHWSA-N 312.351 -0.945 30 20 DBED C#CCNC(=O)CCN1CCC(C(=O)NCCCOC)CC1 491200535 ANCXEFDOZSGKKR-UHFFFAOYSA-N 309.410 -0.009 30 20 DBED COC(=O)[C@@H]1CN(C(=O)C(=O)Nc2cccc(C#N)n2)CCO1 517028030 DGCDJMBNGSCQIY-JTQLQIEISA-N 318.289 -0.708 30 20 DBED COc1cc(C#N)ccc1OCC(=O)N[C@]1(C(N)=O)CCOC1 584664467 GYJJHAQDLJGXOM-OAHLLOKOSA-N 319.317 -0.294 30 20 DBED CCN(C(=O)Cn1ccc(C#N)cc1=O)[C@@H]1CCS(=O)(=O)C1 596319908 HTEFCRAPPQYTLG-GFCCVEGCSA-N 323.374 -0.244 30 20 DBED C=CCNC(=O)NC(=O)[C@H](C)N1C[C@@](C)(CO)[C@@](C)(CO)C1 599624771 WHWICJGOWDDKBW-TUKIKUTGSA-N 313.398 -0.301 30 20 DBED Cc1c(C#N)cccc1NC(=O)C(=O)N1C[C@@H](CO)[C@H](CO)C1 600020942 WQJDGNFADSBPRJ-STQMWFEESA-N 317.345 -0.136 30 20 DBED Cc1onc(CC(=O)N(C)CC(=O)N2CCN(C)CC2)c1C#N 602194775 NJJSVGLFIXRZSD-UHFFFAOYSA-N 319.365 -0.370 30 20 DBED CNS(=O)(=O)CCNS(=O)(=O)c1cccc(CC#N)c1 619498821 BGPWOEPGCCQIAT-UHFFFAOYSA-N 317.392 -0.420 30 20 DBED C=CCNC(=O)CNC(=O)C(=O)Nc1cccc2c1OCC2 627458607 KONNJRVEOVOBGV-UHFFFAOYSA-N 303.318 -0.022 30 20 DBED C[C@H]1CC(=NC(=O)c2cc3c(=O)n(C)c(=O)n(C)c3n2C)NO1 765369831 SRWWXBPEEYAVON-ZETCQYMHSA-N 319.321 -0.572 30 20 DBED C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H](C(=O)N(C)C)O1 775215501 VLZTVJZNPPFZAK-RDBSUJKOSA-N 307.394 -0.164 30 20 DBED C#C[C@H](NC(=O)N1CCO[C@H](CNC(C)=O)C1)[C@@H]1CCCO1 776231069 NOOKICZJPMJXTH-RDBSUJKOSA-N 309.366 -0.286 30 20 DBED Cc1onc(CC(=O)N2CCN(CC[S@@](C)=O)CC2)c1C#N 779519298 JXVQEIHCCVZEPJ-JOCHJYFZSA-N 324.406 -0.080 30 20 DBED C#CCOCCNC(=O)c1ccc(S(N)(=O)=O)cc1F 784766225 LUTQBGUVDROKLM-UHFFFAOYSA-N 300.311 -0.147 30 20 DBED C#C[C@H](NC(=O)C(=O)N[C@@H]1CCOC[C@@H]1OCC)[C@H]1CCCO1 807131428 SFKKTCUUIKVLQO-DGAVXFQQSA-N 324.377 -0.406 30 20 DBED C#CCN(CC#C)S(=O)(=O)c1ccc(-c2nn[nH]n2)nc1 819698173 UBZOFGBEZKSCHY-UHFFFAOYSA-N 302.319 -0.481 30 20 DBED C=CCn1cc(C(=O)N[C@H](Cn2ccnc2)C(=O)OC)nn1 844137883 DDKHLMLFAKSNMM-LLVKDONJSA-N 304.310 -0.368 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N1CCOC[C@H]1CC(=O)O 844793936 VLYKSCLFCRTXKZ-VHSXEESVSA-N 305.356 -0.359 30 20 DBED CCONC(=O)CNC(=O)CNC(=O)c1ccc(C#N)cc1 846493129 OHKWSUFFPUHYIX-UHFFFAOYSA-N 304.306 -0.528 30 20 DBED CNC(=O)CNC(=S)NN=Cc1cc(C)c(C(=O)OC)o1 853306579 ZYYCPJJXKGGANR-UHFFFAOYSA-N 312.351 -0.081 30 20 DBED C=CC(C)(C)C(=O)N1CC[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 937957343 WBGAOTISYKKGRG-UWVGGRQHSA-N 322.365 -0.486 30 20 DBED C#CCN1CC[C@H](NC(=O)CN2CCN(C)C(=O)C2)[C@H](C)C1 942200235 KQSBFYJUBXZOQK-KGLIPLIRSA-N 306.410 -0.780 30 20 DBED NC(=O)c1c[nH]c(C(=O)N[C@@H]2CCN(C(=O)C#CC3CC3)C2)c1 942285703 VSAXYLRPLUQBOR-GFCCVEGCSA-N 314.345 -0.142 30 20 DBED C#CCCN1CC[C@H](NC(=O)Cn2nc(C)n(C)c2=O)C[C@H]1C 947986475 WSWQWBPZDRDTSE-OCCSQVGLSA-N 319.409 -0.117 30 20 DBED C[C@@H](C#N)C(=O)N1CCC(NC(=O)c2ccc(=O)n(C)n2)CC1 948099739 XEVHRYIZPOHCID-JTQLQIEISA-N 317.349 -0.339 30 20 DBED N#Cc1ccc(C(=O)N2CC[C@@H]2CNC(=O)[C@@H]2CCNC2=O)[nH]1 951460282 ULJBGAAQJKJKBO-GHMZBOCLSA-N 315.333 -0.647 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@H]1CNC(=O)c1cc(C(N)=O)c[nH]1 956192095 ICYRBPAWSJCCRW-ONGXEEELSA-N 317.349 -0.006 30 20 DBED C#CCCN1C[C@H](O)[C@H](CNC(=O)c2cn(C)nc2COC)C1 958190430 GWCPMLYAOCOMHV-DOMZBBRYSA-N 320.393 -0.388 30 20 DBED C=C(C)CN1C[C@H](O)[C@H](CNC(=O)c2cc(C(N)=O)cn2C)C1 958220464 YWFALHOOXWDMQZ-OCCSQVGLSA-N 320.393 -0.277 30 20 DBED C=C(Cl)CN1C[C@H](O)[C@H](CNC(=O)c2cn(C)c(O)n2)C1 958378188 HSCNTUIWMBDABX-KOLCDFICSA-N 314.773 -0.099 30 20 DBED N#CCN1C[C@H](O)[C@H](CNC(=O)c2nccn3ccnc23)C1 958419188 YZHRUZNBZFMOSR-MNOVXSKESA-N 300.322 -0.725 30 20 DBED Cn1cc(CN2C[C@H]3[C@H](NC(=O)c4cc(C#N)c[nH]4)[C@H]3C2)nn1 958500899 UZXDYNBIFRGAJE-IMRBUKKESA-N 311.349 -0.125 30 20 DBED N#Cc1cccc(CN2C[C@H]3C(NC(=O)Cn4ncnn4)[C@@H]3C2)c1 959892745 IDDJUYLFRKACNZ-ZIAGYGMSSA-N 323.360 -0.209 30 20 DBED C[C@@H](C#N)C(=O)N1CCO[C@@H]2CN(C(=O)c3n[nH]cc3F)C[C@@H]21 960877479 LTMLCORTKYUWSB-INTQDDNPSA-N 321.312 -0.240 30 20 DBED C#CCN1C[C@H]2C(NC(=O)c3ccc(-n4cncn4)nc3)[C@@H]2C1 961434603 CLDRCRZQINGTBM-CHWSQXEVSA-N 308.345 -0.045 30 20 DBED Cn1nnc(C(=O)N[C@H]2[C@@H]3CN(Cc4cccc(C#N)c4)C[C@@H]32)n1 961530096 PMSAAMBIMMNCHH-WDNDVIMCSA-N 323.360 -0.058 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC2(CN(C(=O)c3cn(C)nn3)C2)C1 965470475 HINVNLZKJXNXSK-JTQLQIEISA-N 318.337 -0.972 30 20 DBED C[C@@H](C#N)C(=O)N1CCC[C@@H](N(C)C(=O)Cn2cnnn2)CC1 967472870 PTLCDMZKUYIFOW-NWDGAFQWSA-N 319.369 -0.328 30 20 DBED COc1c(O)nc(O)nc1C(=O)N[C@H]1CN(CC#N)CC[C@H]1C 968540277 SWMIPNUXRRHXQR-BDAKNGLRSA-N 321.337 -0.140 30 20 DBED C#CCN1CCC[C@H]1C(=O)N[C@@H](C)C1CN(CC(=O)NC)C1 969864602 DZJSEICODFZLHG-JSGCOSHPSA-N 306.410 -0.734 30 20 DBED C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)c3[nH]nnc3C)C[C@@H]2O)C1 970403461 VKIZHGUMTWQQSH-MNOVXSKESA-N 319.365 -0.229 30 20 DBED C#CCOc1ncccc1C(=O)N1CC[C@@H](N[C@@H](C)C(N)=O)C1 970511682 PDWJFGCOBIHLOL-NWDGAFQWSA-N 316.361 -0.229 30 20 DBED C#CCN1C[C@H]2CC[C@H]1CN2C(=O)c1coc(S(N)(=O)=O)c1 971532034 AAIMYQXVOIWWCG-NWDGAFQWSA-N 323.374 -0.151 30 20 DBED CC#CCN1CCO[C@]2(CCN(C(=O)c3nnn(C)n3)C2)C1 972511997 NIKCQDNCBFUXHW-CQSZACIVSA-N 304.354 -0.850 30 20 DBED C#Cc1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)c3ncn(C)n3)C2)cn1 974093041 RYXYMLABUHMQNP-BETUJISGSA-N 324.344 -0.118 30 20 DBED CC(=O)N1CCC[C@H]1C(=O)N[C@H]1[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]21 976921347 KBSGHMVYOGVJAN-CYDRSHDDSA-N 318.377 -0.270 30 20 DBED N#CCN1CCCN(C(=O)[C@H]2CN3CC4CC3(CO2)C4)CC1 981645840 FSVGELGNBSYSDF-NPCAHTBFSA-N 304.394 -0.093 30 20 DBED CC#CCN1CCC[C@@H](NC(=O)Cn2ncn(C)c2=O)[C@H]1C 993506311 DBAXNJDXIXTIIL-CHWSQXEVSA-N 305.382 -0.426 30 20 DBED COCCn1nccc1C(=O)NC1CN(C(=O)[C@@H](C)C#N)C1 994420862 RRCMNNJUKNTJPN-JTQLQIEISA-N 305.338 -0.370 30 20 DBED O=C(C[C@H]1CCCS1(=O)=O)NC1CN(C(=O)C#CC2CC2)C1 996549182 CZEZCJSLWVYFDP-CYBMUJFWSA-N 324.402 -0.306 30 20 DBED CC(C)(C(N)=O)C(=O)N1CC(CNC(=O)c2cc(C#N)c[nH]2)C1 1001358212 WNRBAJZTXRFFAD-UHFFFAOYSA-N 317.349 -0.414 30 20 DBED CCn1cc(C(=O)NC[C@H]2[C@@H]3CN(C(=O)[C@H](C)C#N)C[C@H]23)nn1 1009464983 VESVGPLRJRBBBC-KKOKHZNYSA-N 316.365 -0.108 30 20 DBED C#Cc1ccc(C(=O)N2CCN(C(=O)c3nc[nH]n3)CC2)cn1 1011805453 FYXFOPFIWFLGPR-UHFFFAOYSA-N 310.317 -0.221 30 20 DBED C[C@H]1[C@@H](NC(=O)[C@H]2CCNC2=O)CCN1C(=O)C#CC1CC1 1020248145 GDIHHBYUINWZSJ-DRZSPHRISA-N 303.362 -0.359 30 20 DBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C(F)F)C1 1022864270 GZXZIHRESPFZFZ-ZDCRXTMVSA-N 318.320 -0.079 30 20 DBED N#CCN[C@@H]1CC[C@H]2CN(C(=O)CN3CCC(=O)NC3=O)C[C@@H]21 1026399362 UFQXUJTXINPJIX-SDDRHHMPSA-N 319.365 -0.722 30 20 DBED C#Cc1cncc(C(=O)NCC2CN(Cc3nc(O)n[nH]3)C2)c1 1031963220 HPVSJRHGKKEKSS-UHFFFAOYSA-N 312.333 -0.252 30 20 DBED C#Cc1ccc(C(=O)NCC2CN([C@@H](CC)C(N)=O)C2)cn1 1032138100 LKCWJHIJSQHEKP-AWEZNQCLSA-N 300.362 -0.012 30 20 DBED N#CCN1CCO[C@@H](CNC(=O)c2nnc3ccccc3n2)C1 1035448105 NDEROKPZHBUKNY-NSHDSACASA-N 312.333 -0.021 30 20 DBED C[C@H]1CN(C(=O)C#CC2CC2)CC[C@@H]1NCc1nnn(C)n1 1036024397 XFJRISJGDCDYCR-AAEUAGOBSA-N 302.382 -0.050 30 20 DBED C#Cc1cncc(C(=O)N2CC[C@@H](NCC(N)=O)[C@H](C)C2)c1 1036181272 PYXUGKJCLXKIEQ-BXUZGUMPSA-N 300.362 -0.012 30 20 DBED N#CCN1CC[C@H]2CN(C(=O)CN3CCC(=O)NC3=O)CC[C@@H]21 1036865737 RRJMCEVRDLZQPO-RYUDHWBXSA-N 319.365 -0.625 30 20 DBED CS(=O)(=O)CCN1CC[C@@H]1CNC(=O)c1c[nH]c(C#N)c1 1038175123 LXTFZNLESKWPRN-GFCCVEGCSA-N 310.379 -0.265 30 20 DBED C#CCN1[C@H]2CCC[C@H]1CN(C(=O)Cn1nc(C)n(C)c1=O)C2 1039989102 LUPVTEHOWXCDPU-KBPBESRZSA-N 317.393 -0.411 30 20 DBED C=CCCC1(C(=O)N2CC[C@](O)(CNC(=O)C(N)=O)C2)CC1 1040743909 QSTGIQMHAWMFDV-HNNXBMFYSA-N 309.366 -0.702 30 20 DBED N#Cc1nccc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCO3)C2)n1 1040897790 FWLFJDRJFYVUCJ-GMTAPVOTSA-N 303.322 -0.807 30 20 DBED N#Cc1cnccc1N1C[C@@H](O)[C@H](NC(=O)c2cnns2)C1 1040943638 YIFIJUJYVYOXPM-MWLCHTKSSA-N 316.346 -0.216 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)c3cncnc3)C2)nc1 1040995200 DHUSDQXEJNDDIX-CHWSQXEVSA-N 310.317 -0.277 30 20 DBED C=C[C@@H](CC)CC(=O)N1CC(O)(CNC(=O)CNC(C)=O)C1 1041216128 SVALPSYGBJGLDF-LBPRGKRZSA-N 311.382 -0.586 30 20 DBED CC#CCN1CC[C@H]2CCN(C(=O)CN3CCNC(=O)C3)C[C@@H]21 1042183816 NBWMBENHYCKEJC-GJZGRUSLSA-N 318.421 -0.636 30 20 DBED C#CCN1CCC[C@H]1C(=O)N(C)C1CN(Cc2n[nH]c(C)n2)C1 1042959775 CPVYILIPBAZVNG-AWEZNQCLSA-N 316.409 -0.147 30 20 DBED CCCN(C)CC(=O)N1CC(O)(CNC(=O)C#CC2CC2)C1 1042961413 XKSGZOHUTMEGCD-UHFFFAOYSA-N 307.394 -0.569 30 20 DBED C[C@@H]1CN(C(=O)Cc2cc[nH]n2)C[C@H]1N=c1cc[nH]c(C#N)n1 1043115208 JCHUOFFHGQPAGQ-ZYHUDNBSSA-N 311.349 -0.005 30 20 DBED C#CCN1CC(N(C)C(=O)c2cnc3c(c2)NC(=O)CO3)C1 1043237238 JHYFSECTZUESLH-UHFFFAOYSA-N 300.318 -0.198 30 20 DBED C=CCCOCC(=O)NCC1(O)CN(C(=O)c2cnccn2)C1 1043565514 NTQHQCQEWRKSKZ-UHFFFAOYSA-N 320.349 -0.628 30 20 DBED CO[C@@H]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)C#CC3CC3)C2)C1 1043638985 GPYIBXHFTLPSJP-ZIAGYGMSSA-N 320.389 -0.096 30 20 DBED C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)C2(C(N)=O)CC2)C1 1044470435 OIHISBHVYLJQOB-UHFFFAOYSA-N 309.366 -0.846 30 20 DBED Cc1nnc(CC(=O)N2CCN([C@@H]3CCN(CC#N)C3)CC2)o1 1046025468 GNPKSEGXFQXYEZ-CYBMUJFWSA-N 318.381 -0.337 30 20 DBED C=CCC1(C(=O)NCC2(O)CN(C(=O)c3nc[nH]n3)C2)CCC1 1046119670 GRARXLZNHQSPFQ-UHFFFAOYSA-N 319.365 -0.146 30 20 DBED C[C@@]1(NC(=O)[C@@H]2CCc3nnnn3CC2)CCN(CC#N)C1 1046637056 JOKDQNLBQINIHL-BXUZGUMPSA-N 303.370 -0.270 30 20 DBED CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCCN(C)C2=O)C1 1047593814 XFTMMXZHUGAKLT-ILXRZTDVSA-N 321.421 -0.228 30 20 DBED C#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2csnn2)C1 1049120828 AEGYJGMPTAVOLU-RYUDHWBXSA-N 322.390 -0.015 30 20 DBED COCC1(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)C#N)C2)CC1 1049401086 BBZSUAFJVZQRQL-WOPDTQHZSA-N 309.366 -0.397 30 20 DBED C=C(C)CN1C[C@@H]2CCCN(C(=O)CN3CCNC(=O)C3)[C@@H]2C1 1050110223 KIDMKLOADPZUCA-LSDHHAIUSA-N 320.437 -0.083 30 20 DBED CC#CCN1CCOC[C@H]1CNC(=O)c1ccc2nnnn2c1 1051023654 VMEPIJUYLUBVPY-CYBMUJFWSA-N 314.349 -0.422 30 20 DBED C#CCCN1CCOC[C@H]1CNC(=O)[C@@H]1CCCN1C(N)=O 1051272201 YZRSUEFOURQWMP-OLZOCXBDSA-N 308.382 -0.630 30 20 DBED N#Cc1c[nH]c(C(=O)N2CC[C@@H](N3CCN(CCO)CC3)C2)c1 1052007340 ZCJSEBUXVYJBCV-CQSZACIVSA-N 317.393 -0.289 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H]2CCC3(CN(CC(N)=O)C3)O2)c1 1053587682 IIFFXHMVLSIREX-LLVKDONJSA-N 317.349 -0.665 30 20 DBED C#CCCN1CC2(CC[C@@H](CNC(=O)[C@H]3CN(C)C(=O)N3)O2)C1 1053643112 VCQSMRYFMZBEDS-QWHCGFSZSA-N 320.393 -0.617 30 20 DBED CC#CCN1CC2(C[C@H](NC(=O)[C@H]3CCNC(=O)C3)CO2)C1 1053774865 LGAAXSGCXACDDB-STQMWFEESA-N 305.378 -0.505 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)[C@@H]3CCCN(C(N)=O)C3)CO2)C1 1053865228 ULTMTECSXROFCS-NEPJUHHUSA-N 321.381 -0.740 30 20 DBED COc1cc(O)ncc1C(=O)N[C@@H]1COC2(C1)CN(CC#N)C2 1053930112 OZFRBTMGSMXGMI-JTQLQIEISA-N 318.333 -0.108 30 20 DBED CN1C[C@H](C(=O)N2CCN(c3cnc(C#N)cn3)CC2)NC1=O 1055974594 KQWFLXVEASLNCC-LLVKDONJSA-N 315.337 -0.980 30 20 DBED C[C@@H](C#N)C(=O)N[C@]1(CO)CCCN(C(=O)Cc2ccon2)C1 1056093555 KTVPFWWSUPRQPI-XHDPSFHLSA-N 320.349 -0.154 30 20 DBED Cn1ccc(C(=O)NC2[C@H]3CN(c4cncc(C#N)n4)C[C@H]23)n1 1056226147 SCNIKKXJQNJJOW-QWRGUYRKSA-N 309.333 -0.054 30 20 DBED C=C[C@H](C)[C@H](C)C(=O)NCCN(CCO)C(=O)Cn1cnnn1 1056932990 JWJMFZZCAQXPTR-RYUDHWBXSA-N 324.385 -0.932 30 20 DBED CN(c1ccc(C#N)nn1)[C@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 1056998167 QSYILRDCADZUSH-RYUDHWBXSA-N 314.349 -0.479 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)c1cscn1 1057193171 BCGCBLWCRPLLOF-UHFFFAOYSA-N 313.379 -0.104 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)Cn1ccnc1C 1057198071 NMIRLEJCGBLWML-UHFFFAOYSA-N 324.381 -0.669 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)c1cc(F)c[nH]1 1057199502 UYLQTJXPVQGGMU-UHFFFAOYSA-N 313.329 -0.093 30 20 DBED Cc1nn(C)cc1C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N 1057224873 MPYIYKJUTQFIQP-JTQLQIEISA-N 307.354 -0.561 30 20 DBED C#CCCCC(=O)NCCN(CCO)C(=O)C(C)(C)C(N)=O 1057879941 JJXCKHAWZZKORO-UHFFFAOYSA-N 311.382 -0.762 30 20 DBED CN1CCO[C@H](C(=O)N[C@@H]2CCN(c3cncc(C#N)n3)C2)C1 1058317111 OVCHYVWDCGRVPL-YPMHNXCESA-N 316.365 -0.626 30 20 DBED C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)[C@H](C)Cc1cnc[nH]1 1058659238 VSNRPMQQPLMMMU-NEPJUHHUSA-N 321.381 -0.315 30 20 DBED CN1C[C@@H](C(=O)N2CC[C@H](Nc3cncc(C#N)n3)C2)CC1=O 1059097854 RNOYOWYYMATSFV-QWRGUYRKSA-N 314.349 -0.161 30 20 DBED C=CCOCC(=O)NC[C@H]1COCCN1C(=O)c1[nH]cnc1C 1061419168 HQWZTUUREZWEBD-LBPRGKRZSA-N 322.365 -0.122 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CCCCN1C(=O)[C@H]1CNC(=O)N1 1062329307 PSJJPMXKSKMOHH-CHWSQXEVSA-N 320.393 -0.176 30 20 DBED C[C@@H](C#N)C(=O)NC1(CNC(=O)c2cc(=O)n(C)o2)CCC1 1062856475 SKYGRXMAEPPCNP-VIFPVBQESA-N 306.322 -0.093 30 20 DBED CC(C)C#CC(=O)NCC1(NC(=O)CCNC(N)=O)CCC1 1062960892 RCSQLEJFRGUDGS-UHFFFAOYSA-N 308.382 -0.141 30 20 DBED C=CCO[C@H](C)C(=O)NC1(CNC(=O)Cn2ncnn2)CCC1 1063148771 RVBSGZLWZNUUNL-LLVKDONJSA-N 322.369 -0.581 30 20 DBED N#Cc1nc(=NC[C@H]2CCCC[C@H]2NC(=O)C(N)=O)cc[nH]1 1064189221 PMTRBEOYIQTMRT-NXEZZACHSA-N 302.338 -0.658 30 20 DBED C[C@@H](C#N)C(=O)NCC1(NC(=O)C[C@@H](C)NC(N)=O)CCC1 1064306259 FQICTMJFLVVGCU-VHSXEESVSA-N 309.370 -0.252 30 20 DBED C[C@H](C#N)C(=O)NCC1(NC(=O)Cn2c(O)nnc2O)CCC1 1064306569 LMWQRHXGIPELNF-MRVPVSSYSA-N 322.325 -0.996 30 20 DBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)[C@@H](CC)OC)CCO1 1064946297 LHMXTVFCNTVJCD-CHWSQXEVSA-N 314.382 -0.042 30 20 DBED Cn1ncc(C(=O)N[C@]2(C)CCN(c3ccc(C#N)nn3)C2)n1 1065264006 SHZPRCNYVDQROV-CQSZACIVSA-N 312.337 -0.124 30 20 DBED C[C@@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1Nc1ccc(C#N)nc1 1067042638 UMFIRWFYXRRZDN-MFKMUULPSA-N 312.337 -0.101 30 20 DBED N#Cc1cnccc1N1C[C@@H](O)[C@@H](CNC(=O)c2cnon2)C1 1067678337 QFBDSIRKHVHONE-GXFFZTMASA-N 314.305 -0.437 30 20 DBED C[C@@H](C#N)C(=O)N(C)CCCN(C)C(=O)c1ccc(=O)n(C)n1 1068060656 WHFWEYDSZAUWMJ-NSHDSACASA-N 319.365 -0.140 30 20 DBED Cn1cc(C(=O)NCC2[C@H]3CN(c4cncc(C#N)n4)C[C@H]23)nn1 1068171329 WAUWABYUVPVGIZ-VXGBXAGGSA-N 324.348 -0.411 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1COC2(C1)CN(C(=O)c1cccnn1)C2 1069004307 VJNQQJBYGCJPTG-GHMZBOCLSA-N 315.333 -0.264 30 20 DBED C[C@H]1C[C@H](Nc2cnc(C#N)cn2)CN1C(=O)Cn1cnnn1 1069006687 VFJVIMDBALZRAS-UWVGGRQHSA-N 313.325 -0.564 30 20 DBED CC#CCN1CCNC(=O)CCN(C(=O)c2cnn(C)n2)CC1 1071008119 JPRGKHXDEHYEBQ-UHFFFAOYSA-N 318.381 -0.898 30 20 DBED C=CCN1C[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)CC[C@H]1C 1071548727 KYZYZHNXAHZHIJ-CHWSQXEVSA-N 320.393 -0.298 30 20 DBED C#CCCN1C[C@H](NC(=O)c2nnc(O)nc2O)CC[C@H]1C 1071647063 DNSPTBKAWOMYOS-NXEZZACHSA-N 305.338 -0.111 30 20 DBED C=CCCC(=O)N1C[C@H](C)[C@H](NC(=O)CS(C)(=O)=O)C1 1071769974 BMUIILNWZJRFPJ-WDEREUQCSA-N 302.396 -0.040 30 20 DBED CNC(=O)NCCC(=O)N[C@@H]1CN(C(=O)C#CC(C)C)C[C@@H]1C 1072034753 CLUFHLOYHNSJRY-QWHCGFSZSA-N 322.409 -0.072 30 20 DBED CC#CCCCC(=O)N[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1C 1072535056 RKDRWGVNCDXURA-VXGBXAGGSA-N 318.381 -0.020 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H]1CCN(C(=O)CC(N)=O)CC1(C)C 1073393608 MLGSOVCUKWTXRT-RYUDHWBXSA-N 323.393 -0.357 30 20 DBED CC#CCN1C[C@@H]2CCN(C(=O)CN3CCN(C)C(=O)C3)[C@@H]2C1 1075966230 UHJQXUOQPAHOHB-LSDHHAIUSA-N 318.421 -0.684 30 20 DBED C=CC(C)(C)C(=O)N[C@@H](C)CCNC(=O)CS(=O)(=O)NC 1076624423 OXEICDFRBUJYIS-JTQLQIEISA-N 319.427 -0.241 30 20 DBED C=CCO[C@@H](C)C(=O)NCC[C@H](C)NC(=O)CCNC(N)=O 1077067752 JRAZCSZQXFIAOO-QWRGUYRKSA-N 314.386 -0.353 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)c2cnn3c2OCCC3)C1 1077304608 QHTYMLZXEFZCNN-CHWSQXEVSA-N 304.350 -0.536 30 20 DBED C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 1077668691 LZZDDEXUUIGMKJ-FVCCEPFGSA-N 311.382 -0.853 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN2C(=O)C(C)C)C1 1078198512 RIXRKVXQQWYBIP-QLFBSQMISA-N 321.421 -0.182 30 20 DBED C#CCNC(=O)CC(=O)N(CC)C1CN(C(=O)C#CC(C)C)C1 1079644483 HBBNVWNVJHWLPI-UHFFFAOYSA-N 317.389 -0.155 30 20 DBED C#CCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)c2cnn[nH]2)C1 1079774600 HCRRMGHBYLJUBR-JTQLQIEISA-N 305.338 -0.484 30 20 DBED C=C[C@H](C)[C@@H](C)C(=O)N1CCC(CO)(NC(=O)C(N)=O)CC1 1080978500 GFMKIYPNMCTBLT-WDEREUQCSA-N 311.382 -0.600 30 20 DBED COCC1(C(=O)NC[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2O)CC1 1081597966 LTGSEKJRXDTJFN-ZIAGYGMSSA-N 320.389 -0.238 30 20 DBED CC#CCCCC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2nc[nH]n2)C1 1081658663 XVFQQNBCQKZWBN-VXGBXAGGSA-N 319.365 -0.453 30 20 DBED C=C(C)CN1C[C@@H](NC(=O)c2nnc(O)nc2O)[C@H](OC)C1 1081899346 NFGVZQRZLLJPAH-RKDXNWHRSA-N 309.326 -0.712 30 20 DBED C#CCN1C[C@@H](NC(=O)c2cnc3c(c2)nnn3C)[C@H](OC)C1 1081954177 OEQFYDOMWCUWJX-CHWSQXEVSA-N 314.349 -0.575 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)c2ccnc(NC(C)=O)c2)C1 1083875382 MSUHOGOLKFCHRE-OLZOCXBDSA-N 302.334 -0.552 30 20 DBED C=C(C)CN1CC[C@@H]2CN(C(=O)CN3CC(=O)N(C)C3=O)[C@@H]2C1 1084772696 LREPAAMKQVUQMO-CHWSQXEVSA-N 320.393 -0.011 30 20 DBED C=CCN1CC[C@@H]2CN(C(=O)[C@@H]3COCCN3C(C)=O)[C@@H]2C1 1084842601 VWZFTSKZHOJZFU-KFWWJZLASA-N 307.394 -0.048 30 20 DBED C[C@@H]1CC[C@@H](NC(=O)CNC(N)=O)CN1c1cncc(C#N)n1 1089110288 PZELVGNZWJAWNW-NXEZZACHSA-N 317.353 -0.510 30 20 DBED C#CCN1CC[C@@H](NC(=O)c2nn3c(c2C)OCCC3)[C@@H](O)C1 1090312324 GNSHIZRIOQAJHE-OLZOCXBDSA-N 318.377 -0.228 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2ccn3nnnc3c2)[C@H](O)C1 1090486623 ONKUIKKPWNUZSH-QWHCGFSZSA-N 314.349 -0.687 30 20 DBED CC#CCN1CC[C@@H](NC(=O)C(=O)N2CCC(C)CC2)[C@@H](O)C1 1090629107 FOXXYFIEBPANKX-CABCVRRESA-N 321.421 -0.180 30 20 DBED C#CCCN1CC[C@H](NC(=O)c2ccc(=O)n(CC)n2)[C@@H](O)C1 1090655750 VLIJNTLSKBOZGQ-JSGCOSHPSA-N 318.377 -0.549 30 20 DBED C=CCN1CC[C@@H](NC(=O)Cn2c(C)cc(C)nc2=O)[C@H](O)C1 1090674097 ORWXLVTYNQSGOV-ZIAGYGMSSA-N 320.393 -0.402 30 20 DBED COc1ccnc(N2CC[C@@H](NC(=O)C#CC3CC3)[C@@H](O)C2)n1 1092151046 JEVMMCWLHDAEDJ-OLZOCXBDSA-N 316.361 -0.046 30 20 DBED C#CCOCCC(=O)N[C@H]1CCN(c2ncc(F)cn2)C[C@H]1O 1092163714 GANRNLANZDEZEY-QWHCGFSZSA-N 322.340 -0.289 30 20 DBED CN(C)C(=O)CC(=O)N[C@H]1[C@@H]2CN(c3nccnc3C#N)C[C@@H]21 1093358713 UXSIWXXRUAYDAJ-MSRIBSCDSA-N 314.349 -0.623 30 20 DBED N#Cc1ccc(NCCNC(=O)[C@@H]2CCc3nncn3C2)nn1 1093669236 ZNOJSUJWXVDSIE-SNVBAGLBSA-N 312.337 -0.270 30 20 DBED CC(=O)N[C@](C)(C(=O)NCCN=c1cc[nH]c(C#N)n1)C1CC1 1093754139 HTWQJKPRKOBBLK-HNNXBMFYSA-N 316.365 -0.397 30 20 DBED CCn1nc(C(=O)NCCNc2ccc(C#N)nn2)ccc1=O 1093792602 VRBBRKYEFCFPKP-UHFFFAOYSA-N 313.321 -0.233 30 20 DBED C[C@H]1C[C@@H](C(=O)NCCN=c2cc[nH]c(C#N)n2)CC(=O)N1 1093982437 FPAXPRLRMKLRLS-VHSXEESVSA-N 302.338 -0.787 30 20 DBED C[C@H]1CC(=O)N[C@@H](C(=O)NCCN=c2cc[nH]cc2C#N)C1 1094178961 WTDZRNQFTZEWRF-ZWNOBZJWSA-N 301.350 -0.182 30 20 DBED N#Cc1ccc(NCCCNC(=O)[C@H]2CCS(=O)(=O)C2)nn1 1094662042 VAHXKUMQLGRKIO-JTQLQIEISA-N 323.378 -0.299 30 20 DBED C#CCN1CC(N2C[C@@H](NC(=O)Cc3cnc(C)o3)CC2=O)C1 1094746615 XBURZAXQKFEFNZ-LBPRGKRZSA-N 316.361 -0.440 30 20 DBED C[C@H](CC(N)=O)C(=O)N1CC[C@@H](Nc2nccnc2C#N)C1 1095077212 MBENEFQLFOLQEZ-NXEZZACHSA-N 302.338 -0.127 30 20 DBED C[C@H](NC(N)=O)C(=O)N1CC[C@H](N(C)c2ccnc(C#N)n2)C1 1095113654 UCKDXQYAPVBBLD-UWVGGRQHSA-N 317.353 -0.558 30 20 DBED CN(CCCNC(=O)C1CS(=O)(=O)C1)c1ccc(C#N)nc1 1095649690 LEXKCVOZSHPSLN-UHFFFAOYSA-N 322.390 -0.060 30 20 DBED C[C@H](C#N)C(=O)NCCN1CCN(c2nccnc2C#N)CC1 1096278556 VPSHGZDLADYUQP-GFCCVEGCSA-N 313.365 -0.254 30 20 DBED N#Cc1cnc(N2CC[C@H](NC(=O)CCn3cnnn3)C2)cn1 1096414889 GMSIOIQIVZPGGP-JTQLQIEISA-N 313.325 -0.880 30 20 DBED C[C@H](CC(=O)N1CC[C@H](Nc2nccnc2C#N)C1)NC(N)=O 1096961427 WTNHJGDJYWLLJM-ZJUUUORDSA-N 317.353 -0.192 30 20 DBED C[C@H](CNC(=O)CN1C(=O)CNC1=O)Nc1ncccc1C#N 1097837753 QEJYRBOPZIPMIQ-SECBINFHSA-N 316.321 -0.578 30 20 DBED C#CCN[C@@H]1CN(C(=O)CCn2cnnn2)C[C@H]1C(F)(F)F 1099325377 NPDYHUOKPVYCIN-NXEZZACHSA-N 316.287 -0.325 30 20 DBED CC#CCCCC(=O)N[C@H]1CCN(Cc2nnn(C)n2)C[C@H]1O 1099962056 IMJZPZRCANQYFU-QWHCGFSZSA-N 320.397 -0.545 30 20 DBED C=CCN1CC[C@H](NC(=O)C(C)(C)NC(=O)NCC)[C@@H](O)C1 1100024311 HIXRJKAJEJHFSC-RYUDHWBXSA-N 312.414 -0.179 30 20 DBED COCC#CCN1CC[C@@H](NC(=O)C23CCN(CC2)C3)[C@@H](O)C1 1100074419 NHAYENJLWRTISJ-CABCVRRESA-N 321.421 -0.717 30 20 DBED C=CCNC(=O)CNC1CC(CNC(=O)[C@H]2CCCNC2=O)C1 1100427937 PMUQVHSQMJWQGL-BPCQOVAHSA-N 322.409 -0.701 30 20 DBED C#CCCN1C[C@@H](C)[C@H](CNC(=O)Cn2ccc(O)nc2=O)C1 1102128400 IUGKPOCZSCYRGP-CHWSQXEVSA-N 318.377 -0.344 30 20 DBED N#Cc1ccc(N2C[C@@H]3C[C@H]2CN3C(=O)CCNC(N)=O)nn1 1102551460 MYEXYCGIFZTWRT-QWRGUYRKSA-N 315.337 -0.804 30 20 DBED C[C@@H](CNC(=O)Cn1ncnn1)CNc1nccnc1C#N 1104095489 WRLYSYFMCCBPOQ-VIFPVBQESA-N 301.314 -0.801 30 20 DBED CNC(=O)[C@@H](C)NCc1cn(C2CN(C(=O)[C@@H](C)C#N)C2)nn1 1105189653 JEWHQXTYMBUTHC-VHSXEESVSA-N 319.369 -0.955 30 20 DBED CN(CCN(C)c1cncc(C#N)n1)C(=O)[C@@H]1CCC(=O)N1C 1105533837 JPXXLOFSIZJKHE-LBPRGKRZSA-N 316.365 -0.136 30 20 DBED C#CCOCCC(=O)N1CCC(OC2CN(CCO)C2)CC1 1105708707 WCWFAPGXUQHJCR-UHFFFAOYSA-N 310.394 -0.290 30 20 DBED Cn1cc(C(=O)NC[C@H](O)CNc2cncc(C#N)n2)cn1 1105715933 FBGVGMBLWMMWAP-LLVKDONJSA-N 301.310 -0.715 30 20 DBED N#Cc1cccnc1NC[C@@H](O)CNC(=O)CNC(=O)C1CC1 1105719133 YELXQRLLRJKJKZ-LBPRGKRZSA-N 317.349 -0.632 30 20 DBED N#Cc1ccc(NC[C@@H](O)CNC(=O)c2c[nH]c(C#N)c2)nn1 1105830898 QMFBZLUDINREBO-GFCCVEGCSA-N 311.305 -0.249 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H](O)CNc1nccnc1C#N 1105970429 HNUZICFJGQSNTH-WDEREUQCSA-N 303.322 -0.724 30 20 DBED CN1CCOC[C@H]1C(=O)NC/C=C/CN=c1cc[nH]cc1C#N 1107162303 QTERYRMJPGKVOD-FAAWYNLUSA-N 315.377 -0.210 30 20 DBED C#CCCN1CCO[C@](C)(CNC(=O)CS(C)(=O)=O)C1 1107786519 ZUZHIHFHXVFDQS-CYBMUJFWSA-N 302.396 -0.739 30 20 DBED C=CCCO[C@H](C)C(=O)NC[C@]1(C)CN(CC(N)=O)CCO1 1107792051 FUJHRJQQRTWEOC-IUODEOHRSA-N 313.398 -0.340 30 20 DBED C=C(Cl)CN1CCO[C@@](C)(CNC(=O)CNC(=O)NC)C1 1107982803 YYUNNNDWILCSMQ-ZDUSSCGKSA-N 318.805 -0.125 30 20 DBED C#CCN1CCO[C@@](C)(CNC(=O)c2cccnc2C(N)=O)C1 1108411942 FWKHEBGNAFXAII-INIZCTEOSA-N 316.361 -0.366 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)[C@H](C)OCC3CC3)CC2=O)C1 1108522209 PDGGIRPZNGADEI-GXTWGEPZSA-N 319.405 -0.164 30 20 DBED COCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1109090595 YWEPLWUMDSYVNS-AGIUHOORSA-N 324.381 -0.989 30 20 DBED N#Cc1cncc(N2CC[C@@](O)(CNC(=O)c3cnon3)C2)n1 1111091630 VLEYMXCRBPHCDH-CYBMUJFWSA-N 315.293 -0.898 30 20 DBED C#CCO[C@H](C)C(=O)N(C)[C@H]1CN(c2ccc(C)nn2)C[C@@H]1O 1111190955 ZZZIJNNKDLBEDP-RDBSUJKOSA-N 318.377 -0.169 30 20 DBED CC[C@H](C(=O)N(CCO)CCNc1cnc(C#N)cn1)N(C)C 1111492604 HMJBMVWJSDCTTD-CYBMUJFWSA-N 320.397 -0.079 30 20 DBED Cc1cc(CC(=O)N2CCN(CC(=O)NCC#N)CC2)no1 1112715210 HEBJGPUTBJEGHL-UHFFFAOYSA-N 305.338 -0.691 30 20 DBED N#Cc1c(F)cccc1N1C[C@H](CNC(=O)CC(N)=O)[C@@H](O)C1 1112723587 YADXMDOUOANNHG-ZANVPECISA-N 320.324 -0.514 30 20 DBED CN(C)CCC(=O)NC[C@@H]1CN(c2cncc(C#N)n2)C[C@@H]1O 1112754740 GEFTWHBSNGAAJJ-YPMHNXCESA-N 318.381 -0.787 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)Cc2nnc(C)o2)CC1 1112818658 OUSOYAGTTJBKAC-LLVKDONJSA-N 321.381 -0.245 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCN(C(=O)[C@H]2CCCC(=O)N2)CC1 1112995982 IAQXMSODIYHBSK-CHWSQXEVSA-N 322.409 -0.510 30 20 DBED COCC#CCN1CCN(C(=O)CCN2C(=O)CCC2=O)CC1 1113080473 FQGQWOYAYDFYBQ-UHFFFAOYSA-N 321.377 -0.681 30 20 DBED C[C@H](NC(N)=O)C(=O)NC[C@@H](C)N(C)c1ccc(C#N)nn1 1113577719 JPKQOMIAILNSHE-BDAKNGLRSA-N 305.342 -0.654 30 20 DBED C[C@H](CNC(=O)CCn1ccnn1)N(C)c1cnc(C#N)cn1 1113579828 VSOCDZMWGCWQHQ-LLVKDONJSA-N 314.353 -0.029 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3ccc(C)o3)[C@H]2C1 1113809188 CXEOIHQTQARRJE-RYUDHWBXSA-N 301.346 -0.003 30 20 DBED COCC#CCN1C[C@H]2C(NC(=O)c3ccc(O)nn3)[C@@H]2C1 1113809630 LTRKXOTZQRNUFA-GHMZBOCLSA-N 302.334 -0.508 30 20 DBED Cc1ccoc1C(=O)NC1[C@H]2CN(CC(=O)NCC#N)C[C@H]12 1113854648 LMBXHKCHNMHIIJ-QWRGUYRKSA-N 302.334 -0.112 30 20 DBED C#CCCCC(=O)NC1[C@H]2CN(CC(=O)NC(=O)NCC)C[C@H]12 1114198963 LRLITJXFBGGKAL-RYUDHWBXSA-N 320.393 -0.318 30 20 DBED COCC#CCN1C[C@@H]2C(NC(=O)Cc3ccn(C)n3)[C@H]2C1 1114246350 RSHWGMPMQLRXDL-KBPBESRZSA-N 302.378 -0.341 30 20 DBED CO[C@H](C(=O)N[C@H]1[C@@H]2CN(CC(=O)NCC#N)C[C@@H]21)C1CCC1 1114639450 WTCILWQBIMAKRA-MXYBEHONSA-N 320.393 -0.512 30 20 DBED C#CCNC(=O)CN1C[C@@H]2C(NC(=O)c3[nH]c(C)nc3C)[C@H]2C1 1114840509 MBGOLCNYUXEKFO-RYUDHWBXSA-N 315.377 -0.564 30 20 DBED C[C@@H](CCCN=c1cc[nH]cc1C#N)NC(=O)c1nnn(C)n1 1115051497 DNHXMQPQSZBCHI-JTQLQIEISA-N 314.353 -0.091 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2[C@H](NC(=O)Cn3ccnc3)[C@H]2C1 1115341890 MGYFBZVPPHBFDG-RMRHIDDWSA-N 315.377 -0.933 30 20 DBED N#Cc1ccc(NCCCOCCNC(=O)CC(N)=O)cn1 1115395468 GBODEESLYLPAKJ-UHFFFAOYSA-N 305.338 -0.237 30 20 DBED C[C@H](CN(C)C(=O)CCn1cncn1)N=c1cc[nH]c(C#N)n1 1115596987 CRMSGNXSZHZYEQ-LLVKDONJSA-N 314.353 -0.289 30 20 DBED CCCOC(=O)CCNC(=O)C(=O)Nc1cnn(CC#N)c1 1116332664 XNYRQHKJBGFOHA-UHFFFAOYSA-N 307.310 -0.195 30 20 DBED N#CCn1cc(NC(=O)C(=O)N2CCSC[C@@H]2CO)cn1 1116730501 RCNADWSVIDFEIL-JTQLQIEISA-N 309.351 -0.719 30 20 DBED N#C[C@]1(F)CCN(C(=O)C(=O)NCc2nnc3n2CCCC3)C1 1117081132 IHSFJSPVUSCUEW-CQSZACIVSA-N 320.328 -0.305 30 20 DBED C[C@@H](O)[C@H]1CCCN(C(=O)C(=O)NC2CCN(CC#N)CC2)C1 1117327059 USBCFFRGXSPHDE-OLZOCXBDSA-N 322.409 -0.290 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)N[C@@H](C)CS(=O)(=O)CC 1117336038 SZCFIKZVHNXTIM-LBPRGKRZSA-N 312.391 -0.589 30 20 DBED N#C[C@H]1CC[C@@H](NC(=O)C(=O)N2CCN3CCOC[C@@H]3C2)C1 1118118460 GUAQYPQHWOSQQM-XQQFMLRXSA-N 306.366 -0.662 30 20 DBED Cc1cc(NC(=O)C(=O)N(C)CCOCCN)nn1CCC#N 1118862256 LKIZKINAUXMAJT-UHFFFAOYSA-N 322.369 -0.523 30 20 DBED CNC(=O)CCCC(=O)NC[C@H](CO)Nc1cnc(C#N)cn1 1121464889 NWUDQSWZDJPBPR-LLVKDONJSA-N 320.353 -0.846 30 20 DBED CO[C@H](C(=O)NC[C@@H](CO)Nc1ccc(C#N)nn1)C(C)C 1122445929 WSLOBIKOVMPIGO-AAEUAGOBSA-N 307.354 -0.092 30 20 DBED CN(C[C@@H](O)CNc1ccc(C#N)nn1)C(=O)C1=CCOCC1 1124257590 TYZYQZSPZAQHKH-ZDUSSCGKSA-N 317.349 -0.074 30 20 DBED COC[C@H](OC)C(=O)N(C)C[C@@H](O)CNc1cncc(C#N)n1 1124722254 WLEKQDYBBXFQMN-RYUDHWBXSA-N 323.353 -0.759 30 20 DBED CN(C[C@@H](O)CN(C)c1ccnc(C#N)n1)C(=O)c1cn[nH]c1 1125030362 WRWFRTBEXCPJRD-NSHDSACASA-N 315.337 -0.359 30 20 DBED C#CCCN1CCn2ncc(CNC(=O)C(C)(C)C(N)=O)c2C1 1128387345 UAFROGOZPFWSAL-UHFFFAOYSA-N 317.393 -0.150 30 20 DBED CC#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)CC(=O)N(C)C)C1 1129313135 YCYGHSADPHBFJD-OLZOCXBDSA-N 318.381 -0.879 30 20 DBED C=CCNC(=O)CN1C[C@@H](F)C[C@@H]1c1n[nH]c(CNC(C)=O)n1 1131138581 JGCFOOLXUFVIPY-WDEREUQCSA-N 324.360 -0.172 30 20 DBED C#CCCN1CC[C@]2(C1)CN(C(=O)CNC(N)=O)C[C@H](C)O2 1131631894 JITDNBZGNGOXCU-WFASDCNBSA-N 308.382 -0.630 30 20 DBED C[C@@H]1CC[C@H](NC(=O)C#CC2CC2)CN1CC(=O)NC(N)=O 1132034579 SQFSZAIDMRFICT-PWSUYJOCSA-N 306.366 -0.436 30 20 DBED C#CCNC[C@H]1CN(C(=O)CN(C)S(C)(=O)=O)CC[C@@H]1C 1132865567 OZWFUPAHEDQWMB-STQMWFEESA-N 315.439 -0.415 30 20 DBED N#Cc1ccccc1CNCCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 1133774354 WSDZMZPMMWPJRF-UONOGXRCSA-N 316.361 -0.203 30 20 DBED C#CCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)c1cc(=O)n(C)o1 1134219172 JRUSLHGOQNXIBZ-QWRGUYRKSA-N 322.365 -0.786 30 20 DBED C#CCN[C@@H](C)C[C@H](C)NC(=O)CN1CCCS1(=O)=O 1134553349 PHELPKYAAAAHFM-RYUDHWBXSA-N 301.412 -0.472 30 20 DBED C[C@@H](C[C@@H](C)NCC#N)NC(=O)CCCn1c(O)nnc1O 1134782490 GHRYDDAJVHVVPN-ZJUUUORDSA-N 310.358 -0.134 30 20 DBED C=CCNC(=O)[C@@H](C)N1CCC2(CN(C(=O)CNC(C)=O)C2)C1 1146919502 IMYJDOTUDJKHOR-GFCCVEGCSA-N 322.409 -0.653 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)[C@H]1C[C@@H]1OCC)C2 1147056313 FHQPMUZNSDRZAD-KBPBESRZSA-N 319.405 -0.305 30 20 DBED Cc1ocnc1C(=O)N1CC2(CCN(CC(=O)NCC#N)C2)C1 1147090850 OTDKVYPNMWNWTF-UHFFFAOYSA-N 317.349 -0.229 30 20 DBED CCC[C@@H](OC)C(=O)N1CC2(CCN(CC(=O)NCC#N)C2)C1 1148017599 UWYRBALOCUPWCX-CYBMUJFWSA-N 322.409 -0.024 30 20 DBED CO[C@@H](C(=O)NC[C@H]1CN(CC#N)CCCO1)c1cnn(C)c1 1150036190 NINXSZLKBFKVAX-UONOGXRCSA-N 321.381 -0.162 30 20 DBED C#CCN1CCC(C(=O)NCCNCc2cnn(C)c2)CC1 1152335066 YOGYMUSWURMHSN-UHFFFAOYSA-N 303.410 -0.029 30 20 DBED C=CCOCC(=O)NCCCNCCN1CCCS1(=O)=O 1155707287 FIIUHEGSIRDJDO-UHFFFAOYSA-N 319.427 -0.680 30 20 DBED CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)c1ccncn1 1155918390 FVTBCFUCFJXGKG-LLVKDONJSA-N 304.354 -0.443 30 20 DBED C=CCNC(=O)CNCCCNC(=O)[C@@H](C)c1ccnn1C 1158295624 YRYKHYGXICKRFJ-LBPRGKRZSA-N 307.398 -0.078 30 20 DBED C#CCNC(=O)CNCCCNC(=O)c1cnc2[nH]cnc2c1 1159046063 VVTMGEOCJSWOSS-UHFFFAOYSA-N 314.349 -0.583 30 20 DBED C#CCNC(=O)CNCC1(CCNC(=O)c2cn(C)nn2)CC1 1164411391 CLUSKLAKHIHQKN-UHFFFAOYSA-N 318.381 -0.946 30 20 DBED N#CCNC(=O)CNCCCNC(=O)[C@@H]1Cc2ccncc2C1 1166721028 GBDWFAPQWQKALN-CYBMUJFWSA-N 315.377 -0.468 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)NCCCNCCN1CCNC1=O 1166987073 UBZWGWJFTPLDOD-OLZOCXBDSA-N 310.398 -0.301 30 20 DBED C=CCNC(=O)CNCCCNC(=O)Cn1cc(Cl)cn1 1167409517 RQCPGEYWUIIECY-UHFFFAOYSA-N 313.789 -0.065 30 20 DBED C[C@H](CCCCNCC(=O)NCC#N)NC(=O)c1cncnc1 1170319135 MDSNYJFUMDCZMV-GFCCVEGCSA-N 318.381 -0.005 30 20 DBED C=CCNC(=O)NC(=O)CN1CCO[C@@H]2CCN(C(C)=O)C[C@@H]21 1176876549 PCYIHGBDJRPQIK-QWHCGFSZSA-N 324.381 -0.680 30 20 DBED C#CCN1CCO[C@H]2CCN(C(=O)CNC(=O)C3CCC3)C[C@H]21 1177155855 BCKFLTYBGCTXOC-CABCVRRESA-N 319.405 -0.162 30 20 DBED COCCC(=O)N1CC[C@@H](CNCC(=O)NCC#N)[C@@H](C)C1 1183678211 LZUIHSJSRSGTMA-STQMWFEESA-N 310.398 -0.263 30 20 DBED C=CCOCC(=O)N[C@@H]1CN(CC(=O)NC(C)(C)C)C[C@H]1O 1191807984 ZMHZVGCLCXZPSM-VXGBXAGGSA-N 313.398 -0.735 30 20 DBED C#CCC1(C(=O)N[C@@H]2CN(CC(=O)N(C)C)C[C@H]2O)CCC1 1193684838 DNHIJUZRMJSKQA-CHWSQXEVSA-N 307.394 -0.571 30 20 DBED COCC#CCN1CCCN(C(=O)c2c[nH]c(=O)cn2)CC1 1196935820 ZGDPVDRLMCUAIK-UHFFFAOYSA-N 304.350 -0.432 30 20 DBED C#CCO[C@H](C)C(=O)N1CCC(N[C@@H]2CCCNC2=O)CC1 1200531513 DZWBOHQLQZCUJF-TZMCWYRMSA-N 307.394 -0.116 30 20 DBED CC#CCNC[C@H]1CN(C(=O)[C@@H]2CN(C)C(=O)N2)CCCO1 1201156686 ZGTJLBLHFKTNRX-STQMWFEESA-N 308.382 -0.760 30 20 DBED C=CCCNC[C@H]1CN(C(=O)[C@@H]2CN(C)C(=O)N2)CCCO1 1201156712 ZZKNJKLXHFYWCM-STQMWFEESA-N 310.398 -0.207 30 20 DBED C#CCN1CCC(C(=O)N2CCCO[C@H](CNCCO)C2)CC1 1202141929 UEENCVGRMDVNBE-MRXNPFEDSA-N 323.437 -0.469 30 20 DBED CSCC(=O)N1C[C@H]2CC[C@H]1[C@H](NCC(=O)NCC#N)C2 1203925799 LWNZGBSVGYDBQF-TUAOUCFPSA-N 310.423 -0.042 30 20 DBED C#CCNC(=O)CN1C[C@@H](NC(=O)CCOC(C)C)[C@H](C)C1 1206137793 YZFFSBSHWLUWFZ-ZIAGYGMSSA-N 309.410 -0.013 30 20 DBED CNC(=O)CCCC(=O)N1CCC[C@H](NCC(=O)NCC#N)C1 1207876884 ALRPMSWSJMPUKJ-LBPRGKRZSA-N 323.397 -0.877 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCN(C(=O)CCc2cnc[nH]2)C1 1208299567 PDQWFFDCRYKAPQ-CQSZACIVSA-N 317.393 -0.328 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H](NCC(=O)NCC)C1 1208353058 WINGCGYRISVWSU-CABCVRRESA-N 320.437 -0.199 30 20 DBED COCC#CCN1C[C@@H](NC(=O)Cn2ccnc2C)[C@H](OC)C1 1213859354 AIZQEFAIBYYERQ-HUUCEWRRSA-N 320.393 -0.343 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)COC(C)C)C[C@H]1C 1214276317 ZMHWBSFLBLCTAH-HZSPNIEDSA-N 309.410 -0.014 30 20 DBED C#CCO[C@@H](C)C(=O)N1C[C@@H](NCCNC(=O)C2CC2)[C@H](C)C1 1214605169 XUTYBRUVUGRWRM-VNHYZAJKSA-N 321.421 -0.013 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)c2ccoc2)C1 1219178894 SDEQAMIVLOIMHF-UHTWSYAYSA-N 305.334 -0.808 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)c2ccnc(O)c2)C1 1219450161 KRBPDVSUIBEWEM-OLZOCXBDSA-N 307.350 -0.235 30 20 DBED C#CCCCC(=O)N[C@@H]1CN([C@@H](C)C(=O)NCC#C)C[C@@H]1O 1219541170 FIQAEEYJULSONQ-MJBXVCDLSA-N 305.378 -0.911 30 20 DBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)Cc2nnc(C)o2)C1 1219561958 GMEYLTFBSCBQFG-NEPJUHHUSA-N 310.354 -0.716 30 20 DBED C=C[C@H](CC)CC(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@@H]1O 1220203968 WLEGSZNGIIEVTM-UPJWGTAASA-N 308.382 -0.610 30 20 DBED C#CCNC(=O)[C@@H](C)N1CCC(NC(=O)c2cnnn2C)CC1 1227132318 YZUJPLAHYHFODD-LLVKDONJSA-N 318.381 -0.853 30 20 DBED COCC#CCN1CCC(NC(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1 1227953574 JAOHQVJQUQVNJC-GDBMZVCRSA-N 323.437 -0.064 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)CCc1nc[nH]n1 1233561699 URXOULJYLANZGA-LBPRGKRZSA-N 318.381 -0.981 30 20 DBED C#C[C@@H](NC(=O)N(C)CCNS(C)(=O)=O)[C@H]1CCCO1 1255218909 YHGOIORGYNONBA-GHMZBOCLSA-N 303.384 -0.642 30 20 DBED C[C@H](O)CN(C(=O)C(=O)NCc1ccc(C#N)cc1)[C@@H](C)CO 1257773783 CSFBULFXSIQLCQ-RYUDHWBXSA-N 319.361 -0.235 30 20 DBED CCS(=O)(=O)C[C@H](C)NC(=O)C(=O)N[C@@H]1CC[C@H](C#N)C1 1261447044 OPCMIZUTERSKGI-GARJFASQSA-N 315.395 -0.266 30 20 DBED C=CCOCCNC(=O)C(=O)N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1261582538 VWNPVKXJZWJWOM-GHMZBOCLSA-N 320.411 -0.415 30 20 DBED C=CCn1c(C2=NNC(=O)C2)nnc1N(C)C[C@H]1COCCO1 1262969512 JQVUXJSFQZYYMX-JTQLQIEISA-N 320.353 -0.460 30 20 DBED CNC(=O)c1ccc(C(=O)[C@H](C#N)C(=O)NCCOC)cn1 1263289614 LCQIWUQCTAMEHE-JTQLQIEISA-N 304.306 -0.474 30 20 DBED N#C[C@H]1CN(C(=O)C(=O)Nc2cccc(C(N)=O)c2)CCO1 1318300401 JYUOGLWYIXETTN-NSHDSACASA-N 302.290 -0.525 30 20 DBED Cc1nn(CCO)c(C)c1C=NN=c1nc2[nH][nH]cc-2c(O)n1 1318325408 AWYLPGRPXAPZRT-UHFFFAOYSA-N 316.325 -0.316 30 20 DBED C[C@]1(C#N)CCCN(C(=O)C(=O)NCCNC(=O)C2CC2)C1 1322158855 ZKLDONPORDSSAD-OAHLLOKOSA-N 306.366 -0.219 30 20 DBED N#CCNC(=O)CNC(=O)C(=O)Nc1nc2c(s1)CCCC2 1323120427 JRVPZWRWYVXOMI-UHFFFAOYSA-N 321.362 -0.284 30 20 DBED CCO[C@@H]1C[C@H](NC(=O)C(=O)N2CCO[C@@H](C#N)C2)[C@@H]1OC 1323806626 IIQMNAWSCLBROH-YFKTTZPYSA-N 311.338 -0.954 30 20 DBED C=C[C@@H]1CCCCN1C(=O)C(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 1325096325 BMHXDEUHCSBKAM-GHMZBOCLSA-N 320.349 -0.684 30 20 DBED CCOC1CCN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)CC1 1326493024 DITWIFDALPTTJA-HNNXBMFYSA-N 309.366 -0.109 30 20 DBED C#CCOCCNC(=O)C(=O)N1CCC(Cn2ccnn2)CC1 1326805321 ZNYMRQOTHFQJRW-UHFFFAOYSA-N 319.365 -0.717 30 20 DBED C[C@@H](COCC1CC1)NC(=O)C(=O)N1CC[C@](O)(CC#N)C1 1327036710 BAKNPTMMJKMYEW-XHDPSFHLSA-N 309.366 -0.205 30 20 DBED C=C[C@H](CO)NC(=O)C(=O)Nc1cc([C@H]2CCCOC2)nn1C 1327473628 SXJXIDQIJUFVFP-WDEREUQCSA-N 322.365 -0.084 30 20 DBED COCCCN(CCO)C(=O)C(=O)N1CCC[C@@H](CC#N)C1 1327714161 JUZSBCZSZXGIIK-ZDUSSCGKSA-N 311.382 -0.004 30 20 DBED C[C@H](NC(=O)C(=O)N1CC[C@@](O)(CC#N)C1)c1ccn(C)n1 1329372031 RWUMHOHPRMUYTB-HZMBPMFUSA-N 305.338 -0.526 30 20 DBED CC[C@H]1CN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)CCCO1 1329453024 OGUHVCLMJGHSPR-SWLSCSKDSA-N 309.366 -0.109 30 20 DBED CCN1C[C@@H](CNC(=O)C(=O)N2CC[C@@](F)(C#N)C2)CC1=O 1329863833 SXABIZSBINWTKF-QMTHXVAHSA-N 310.329 -0.565 30 20 DBED CCCCN(CCO)C(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1331881990 WFBHZWMZRHWACS-CQSZACIVSA-N 322.409 -0.194 30 20 DBED C=CCn1cc(CNC(=O)NCCS(=O)(=O)CC)nn1 1332002476 HSKVUUPEYYQOHR-UHFFFAOYSA-N 301.372 -0.302 30 20 DBED C=CCN1CC[C@H](N(C)C(=O)CN2CCC(CO)CC2)C1=O 1347060062 IBZNAZITIOGDBY-AWEZNQCLSA-N 309.410 -0.064 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@@H](C)[C@@H]1CCOC1 1347187145 WMRXMHBYDUWDIO-WDEREUQCSA-N 318.395 -0.755 30 20 DBED COCCOC[C@@H](C)NC(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1349224466 YTRRFJNPHDYGDB-RISCZKNCSA-N 313.354 -0.969 30 20 DBED C=CCn1c(CCN(C)S(N)(=O)=O)nnc1N(C)CCC 1356076329 VJKZWIXLLPVENL-UHFFFAOYSA-N 316.431 -0.012 30 20 DBED CN(C)[C@H]1CCCN(C(=O)CCn2cc(C#N)c(O)nc2=O)C1 1361913769 VANNSRDUOSPJEX-LBPRGKRZSA-N 319.365 -0.237 30 20 DBED C[C@@H](CNC(=O)Cn1cc(C#N)c(O)nc1=O)N(C)C1CC1 1362027502 AUJJBWKNZIMQNK-VIFPVBQESA-N 305.338 -0.581 30 20 DBED CCC(=O)[C@@H]1CCCN1C(=O)Cn1cc(C#N)c(O)nc1=O 1362822034 FCTDEOLSQKZZOB-JTQLQIEISA-N 304.306 -0.209 30 20 DBED C[C@@H](CCO)CCNC(=O)CCn1cc(C#N)c(O)nc1=O 1363307551 VTWRKROZVZUJPK-SNVBAGLBSA-N 308.338 -0.265 30 20 DBED COC(=O)[C@@H]1C[C@H]2CC[C@H]1N(C(=O)Cn1cnc(C#N)n1)C2 1363435258 YPMRWOWBVFCJCF-GMTAPVOTSA-N 303.322 -0.050 30 20 DBED C[C@@H](C#N)C(=O)NC[C@@H](O)CN(C)C(=O)CCN1CCCC1=O 1383000845 WJKCHYONWHNSEY-NWDGAFQWSA-N 324.381 -0.906 30 20 DBED COC(=O)NCC(=O)N1C[C@H]2CCN(C(=O)[C@H](C)C#N)C[C@H]2C1 1384678971 MPPHFOPYXAQCIO-UTUOFQBUSA-N 322.365 -0.191 30 20 DBED C[C@@H](CNC(=O)Cc1nnn(C(C)(C)C)n1)NC(=O)[C@H](C)C#N 1393048683 SVIZLEMBMDFVHX-ZJUUUORDSA-N 321.385 -0.249 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1 1407225874 KIXUZMIUFYTKGO-NXEZZACHSA-N 303.322 -0.398 30 20 DBED N#Cc1c[nH]c(C(=O)NC[C@H](O)CNC(=O)c2cc[nH]c2)c1 1410097670 PTZGQJZQMNQVMJ-LLVKDONJSA-N 301.306 -0.265 30 20 DBED C[C@@H](CNC(=O)c1cnnn1C)N(C)C(=O)c1ccc(C#N)[nH]1 1411538412 CZTMNIPGUINTDF-VIFPVBQESA-N 315.337 -0.095 30 20 DBED CC(C)(CO)[C@@H](NC(=O)Cn1cc(C#N)c(O)nc1=O)C1CC1 1413206467 ZBCZOVGSTXWWGK-LBPRGKRZSA-N 320.349 -0.266 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1C[C@@H](CNC(=O)CCS(C)(=O)=O)C1 1414196437 BEFUPEMOQZKIQS-MXWKQRLJSA-N 315.395 -0.408 30 20 DBED C[C@@H](C#N)C(=O)N(C)C[C@@H]1CCCN(C(=O)CCNC(N)=O)C1 1414904453 CLLWNFYUUQLABU-RYUDHWBXSA-N 323.397 -0.099 30 20 DBED CCOC(=O)C[C@@H](C)CNC(=O)Cn1cc(C#N)c(O)nc1=O 1417702583 FCVGQDZMRMVFPI-SECBINFHSA-N 322.321 -0.474 30 20 DBED C[C@H](C#N)C(=O)N1CCC(N(C)C(=O)C2(NC(N)=O)CC2)CC1 1427335463 BTLSQTOYQBWUIC-SNVBAGLBSA-N 321.381 -0.204 30 20 DBED N#CC1(C(=O)NCCn2cnc3c(N)ncnc32)CCOCC1 1434437822 JWOBOTNWYOEFPF-UHFFFAOYSA-N 315.337 -0.155 30 20 DBED CCCc1nc(CN2CC(O)(CNC(=O)[C@@H](C)C#N)C2)no1 1446832793 RWFIGMMKZSBNHK-JTQLQIEISA-N 307.354 -0.155 30 20 DBED C[C@@H](CN(C)C(=O)c1cc(C#N)c[nH]1)NC(=O)Cn1ncnn1 1450991488 QOYRMHVOASMQFH-VIFPVBQESA-N 316.325 -0.850 30 20 DBED C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)c1cccc2nc[nH]c12 1458024985 OHGZWGCSGMKJQE-ZJUUUORDSA-N 315.333 -0.071 30 20 DBED Cc1ncc(C(=O)NC[C@@H](O)CNC(=O)[C@@H](C)C#N)c(C)n1 1458028547 OUIWRVCCKBLSQT-KWQFWETISA-N 305.338 -0.540 30 20 DBED CCNC(=O)CN1CCN(C(=O)c2ccc(C#N)n2C)CC1 1464033689 DAVLDIJCPZRLQC-UHFFFAOYSA-N 303.366 -0.209 30 20 DBED Cn1c(=O)c2cc(C(=O)N3CC(C#N)C3)sc2n(C)c1=O 1468495073 BFVNPEGGGUGVFC-UHFFFAOYSA-N 304.331 -0.106 30 20 DBED C[C@H](C#N)C(=O)NC1(CNC(=O)c2cn(C)c(=O)nc2O)CC1 1506068191 GIJRRUFPHVNWFO-MRVPVSSYSA-N 319.321 -0.976 30 20 DBED O=C(C#CC1CC1)N[C@@H]1CCN(C[C@H](O)Cn2cccn2)C1 1567890601 BLVMHJVZMJGROF-CABCVRRESA-N 302.378 -0.152 30 20 DBED C[C@H](C#N)C(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 1573586316 NZFHCIHLHWCACF-BDAKNGLRSA-N 313.325 -0.489 30 20 DBED C=CCn1cc(C(=O)NCC2(NCc3cnn[nH]3)CC2)nn1 1575112597 VSHAKIYYCHDQAC-UHFFFAOYSA-N 302.342 -0.366 30 20 DBED CCN(CCN[C@H](C)C(=O)NCc1cnn[nH]1)C(=O)[C@H](C)C#N 1576537969 NUXAHJFOONIYOS-GHMZBOCLSA-N 321.385 -0.593 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)NC[C@H]1CCO[C@H]1C(=O)O 1588464726 GJOOSTKVFYLLRB-VXGBXAGGSA-N 306.318 -0.923 30 20 DBED C=C(C)COCCNC(=O)C(=O)N1C[C@@H](C(=O)O)O[C@H](C)C1 1588569511 CWOQBUNVEWAUDC-MNOVXSKESA-N 314.338 -0.604 30 20 DBED C=C(CN(C)C)C(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)O 1588636612 NFELKGIUVOKJAD-SNVBAGLBSA-N 304.368 -0.796 30 20 DBED N#CCCNC(=O)Cn1c2c(cc(-c3nn[nH]n3)c1=O)CCC2 1592678195 PFSREHNOJFTVBT-UHFFFAOYSA-N 313.321 -0.453 30 20 DBED CN(CCOCCNC(=O)[C@@H]1C[C@H]1C(=O)O)C(=O)C#CC1CC1 1598498251 UUDSQMJESLUECZ-CHWSQXEVSA-N 322.361 -0.288 30 20 DBED C#CCN(CC(=O)O)C(=O)c1cnc(CCOCCOC)[nH]1 1602691671 RTNLKJOKHFSZBL-UHFFFAOYSA-N 309.322 -0.225 30 20 DBED C#CC[C@H](COC)NS(=O)(=O)c1ccc(-c2nn[nH]n2)o1 1602697269 LDEVEIVBVNCRLY-MRVPVSSYSA-N 311.323 -0.224 30 20 DBED C#CC[C@H](NS(=O)(=O)c1cccnc1C(=O)O)C(=O)OC 1602698604 MXOMTOUKMDWCJR-QMMMGPOBSA-N 312.303 -0.377 30 20 DBED C=C(CCC(=O)O)C(=O)N[C@@H]1CC[C@H](CS(N)(=O)=O)C1 1602785732 HJVUDPHEZRZSTR-VHSXEESVSA-N 304.368 -0.019 30 20 DBED COC[C@@](C)(C#N)NC(=O)Cc1ccc(-c2nn[nH]n2)nc1 1605041800 MCRCYAWSCXVNDV-CYBMUJFWSA-N 301.310 -0.151 30 20 DBED N#Cc1ccc([C@H](O)C(=O)N2C[C@@H](O)C[C@H](C(=O)O)C2)cc1 1608201702 GMSFDPFSKVVVDY-AVGNSLFASA-N 304.302 -0.114 30 20 DBED N#Cc1ncn(CCNCc2nc(-c3nn[nH]n3)cs2)n1 1609501128 CBEJHJSKYGHLGG-UHFFFAOYSA-N 302.327 -0.424 30 20 DBED N#Cc1ccncc1N1CCN(CCC(=O)NCC(=O)O)CC1 1610633197 BPOQCJBCFYCEKB-UHFFFAOYSA-N 317.349 -0.334 30 20 DBED COC(=O)CCN(C(=O)Cn1cnc(C#N)n1)C1CCOCC1 1645616036 GJQMRANIEQIMNV-UHFFFAOYSA-N 321.337 -0.280 30 20 DBED COCC[C@@H](NS(=O)(=O)Cc1ccc(C#N)cc1)C(N)=O 1649805483 TZMWFLPQFZTXGO-GFCCVEGCSA-N 311.363 -0.132 30 20 DBED CN(C)CCCCC(=O)N[C@@H]1CCN(CC(=O)NCC#N)C1 1665588342 DHISHXFHZNUPAJ-CYBMUJFWSA-N 309.414 -0.451 30 20 DBED CC(C)C#CC(=O)NC[C@@H](N[C@H](C)C(=O)NC(N)=O)C1CC1 1752464533 SOKJUGDYUXWICJ-ZYHUDNBSSA-N 308.382 -0.286 30 20 DBED C[C@H](CCNC(=O)[C@@]1(C)CCC(=O)NC1)NCC(=O)NCC#N 1753012107 NSNTXVVODNMDJV-ABAIWWIYSA-N 323.397 -0.973 30 20 DBED CC[C@@H](CNC(=O)C(C)(C)N1CCCC1)NCC(=O)NCC#N 1753480802 CQXHNZZXFYOADI-ZDUSSCGKSA-N 323.441 -0.015 30 20 DBED Cc1ccn(CC(=O)NC[C@@H]2CN(CC#N)CCO2)c(=O)c1 1753654020 MVYSQYBAZZDMOK-CYBMUJFWSA-N 304.350 -0.503 30 20 DBED C#CCNC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1[C@H]2CCCC[C@H]21 1753916460 PNTOBZKVDIFZLX-CXTNEJHOSA-N 307.394 -0.761 30 20 DBED CCn1nc(C)c(C(=O)N[C@@H](C)CN(C)CC(=O)NCC#N)n1 1754334812 FPEQQGBFCNCJBS-JTQLQIEISA-N 321.385 -0.704 30 20 DBED C[C@H](C#N)C(=O)N(C)CCCN[C@H](C)C(=O)NC(=O)NC1CC1 1754362801 GLZOPIJBBZNZOW-GHMZBOCLSA-N 323.397 -0.039 30 20 DBED C[C@H](NCCCN(C)C(=O)[C@H](C)C#N)C(=O)NC(=O)NC1CC1 1754362802 GLZOPIJBBZNZOW-MNOVXSKESA-N 323.397 -0.039 30 20 DBED C#CCO[C@@H](C)C(=O)N(C)CCCN[C@H](C)c1nnnn1C 1754370478 CYWBRYOFMBPVRN-NEPJUHHUSA-N 308.386 -0.253 30 20 DBED CNC(=O)NCCC(=O)NC[C@H]1CN(CC#N)CCC1(F)F 1754744219 WRHSLFWPIPSCJR-JTQLQIEISA-N 317.340 -0.098 30 20 DBED Cc1conc1C(=O)N1C[C@H](CNCC(=O)NCC#N)[C@@H](C)C1 1754825407 KIONCVAHCKGKHP-JQWIXIFHSA-N 319.365 -0.080 30 20 DBED C#CCNC(=O)CN[C@@H]1CN(C(=O)c2cn(CC)cn2)C[C@@H]1C 1755118619 JKOYQJQJDHRLCI-QWHCGFSZSA-N 317.393 -0.298 30 20 DBED C#CCNC(=O)CNC1(C)CCN(C(=O)Cn2cccn2)CC1 1755126252 ZDRBPNIXBGLWDJ-UHFFFAOYSA-N 317.393 -0.397 30 20 DBED C/C(=C\C(=O)NC1(CCO)CN(CC(=O)NCC#N)C1)C1CC1 1755330670 SNWRDHVMKTYVBE-XYOKQWHBSA-N 320.393 -0.465 30 20 DBED C=CCNC(=O)CN[C@H](C)CN(C)C(=O)c1ccc(C(N)=O)[nH]1 1755604202 RLGIIUROCVVKGI-SNVBAGLBSA-N 321.381 -0.534 30 20 DBED N#CCN[C@@H](CO)CNC(=O)c1cnn(-c2cccnc2)c1 1755630141 BTVNIOVLSZOAMU-GFCCVEGCSA-N 300.322 -0.529 30 20 DBED C#CCNC[C@@H](O)CN(C)C(=O)c1ccnc(-n2ccnc2)c1 1755796084 LRTJARLAVCDZNU-CQSZACIVSA-N 313.361 -0.077 30 20 DBED C#CCNC(=O)CNC1CC(N(C)C(=O)c2nc(C)c[nH]2)C1 1755862487 LQANQCQOEQGRLF-UHFFFAOYSA-N 303.366 -0.340 30 20 DBED C=CCOCC(=O)NCC1CC(NC(=O)CNC(=O)OC)C1 1755929330 PKLCEUKDOOAYSG-UHFFFAOYSA-N 313.354 -0.444 30 20 DBED CC(=O)N(C)CC(=O)N[C@H](C)CN(C)C(=O)CSCC#N 1756431581 JJPCLKPNMMXYLV-SNVBAGLBSA-N 314.411 -0.315 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(C(=O)COCC=C)C[C@H]1OC 1757128954 OZBKYQOUMXAMGM-MGPQQGTHSA-N 324.377 -0.431 30 20 DBED C=CCCOCC(=O)N1CC[C@@H]1CN(C)C(=O)[C@H]1CNC(=O)N1 1757302849 ZCIHDBMLQYWXSL-VXGBXAGGSA-N 324.381 -0.680 30 20 DBED C=C(C)[C@H](CC(=O)N1CC[C@H](NC(=O)C(N)=O)[C@H]1C)OCC 1757538121 NNHVQABZHKJZGQ-WOPDTQHZSA-N 311.382 -0.051 30 20 DBED C=CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ncnn1C)CCO2 1783916841 QGIRXCUUNNGVMK-HNNXBMFYSA-N 319.365 -0.165 30 20 DBED C#CC(=O)N1CCO[C@]2(CCN(C(=O)/C=C/c3cnc[nH]3)C2)C1 1784314905 WZYSNTQXQKPSKN-CWDCEQMOSA-N 314.345 -0.114 30 20 DBED C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc[nH]n1 1793507851 BKOFQKNWDQRNKL-GUDRVLHUSA-N 324.406 -0.069 30 20 DBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(N)s1)C2 1800452171 XJGLRZDHIQIDIY-BZBKMWRSSA-N 320.374 -0.438 30 20 DBED C#CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](C)NC=O)CC2 1825022280 CQTUEKQMKMWZPW-RKDXNWHRSA-N 320.374 -0.177 30 20 DBED CN(CC(F)(F)F)C(=O)Cn1c(=O)c(C#N)cn(C)c1=O 134732095 BZKVTYGDJKQEAK-UHFFFAOYSA-N 304.228 -0.561 30 20 DBED C#CCOCCC(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 153367790 KVMPSXPLZRZGAL-UHFFFAOYSA-N 321.381 -0.461 30 20 DBED C=CCNC(=O)NC(=O)CN[C@](C)(C(N)=O)c1ccccc1 195224827 ZHTFZGYXIYUSQR-HNNXBMFYSA-N 304.350 -0.012 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)N(C)[C@@H]2CCCN(C)C2)C1=O 266216713 YTDDKRJQGOONDP-LLVKDONJSA-N 322.365 -0.484 30 20 DBED C#CCN(CC)C(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cnn(C)c1 279263652 IKASJPGYYBBKHT-UONOGXRCSA-N 304.350 -0.200 30 20 DBED COCCN(CCC#N)S(=O)(=O)NCCCn1cccn1 282876589 PMBMAPZDBDDQIM-UHFFFAOYSA-N 315.399 -0.030 30 20 DBED CC#CCN(C)CC(=O)c1c(O)nc(=O)n(CCOC)c1N 298430287 QALOIDYQSYIYAR-UHFFFAOYSA-N 308.338 -0.685 30 20 DBED C=CCN1C(=O)C(=O)N(CC(=O)/N=c2\cc[nH]n2CCC)C1=O 298819919 YCCXYMCOWOUSCF-MHWRWJLKSA-N 319.321 -0.370 30 20 DBED Cn1cc(S(=O)(=O)NCC(C)(C)CC#N)c(=O)n(C)c1=O 315828423 LXTHTFIVWCCQQO-UHFFFAOYSA-N 314.367 -0.698 30 20 DBED CN1CCOC[C@@H]1/C(O)=N/CCS(=O)(=O)NCC1CCC1 329014021 JFKOBGWSZWLNKU-GFCCVEGCSA-N 319.427 -0.007 30 20 DBED COc1ccc(N/C(O)=N/[C@@H](C)C(=O)N2CCOCC2)nn1 329120150 KATIIDARWCQDNG-VIFPVBQESA-N 309.326 0.058 30 20 DBED CCNS(=O)(=O)[C@@H]1CCN(/C(O)=N/[C@@H]2[C@H]3COC[C@H]32)C1 330023134 IGSHLSWMVYAAPP-ZNSHCXBVSA-N 303.384 -0.441 30 20 DBED C[C@@H](CC#N)N(C)S(=O)(=O)N[C@H](C)CN1CCOCC1 330419260 QGLRKKWHEKHMPI-NEPJUHHUSA-N 304.416 -0.225 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H](COC)C(=O)OC 336893691 LKFDYRPTVQEGPI-NXEZZACHSA-N 307.372 -0.510 30 20 DBED C[C@H](O)CC(C)(C)CNS(=O)(=O)N1CCO[C@@H](C#N)C1 336937954 HENRIDJODCLAFH-QWRGUYRKSA-N 305.400 -0.158 30 20 DBED COC(=O)CN(CC#N)C(=O)c1cncc(-n2ccnn2)c1 338524322 DUMPKTCQGHICQC-UHFFFAOYSA-N 300.278 -0.199 30 20 DBED C=CCNC(=O)CNc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 346254612 BWSQTELNHRYTKC-UHFFFAOYSA-N 314.323 -0.044 30 20 DBED C=CCN(CC=C)C(=O)C(=O)Nc1cc(C)n(CC(=O)NC)n1 349033000 GEZLDYFXSQTRJY-UHFFFAOYSA-N 319.365 0.077 30 20 DBED CCc1noc2ncc(S(=O)(=O)NCC(=O)NCC#N)cc12 352507662 CDOCSAVURJZWCM-UHFFFAOYSA-N 323.334 -0.297 30 20 DBED C=CCNC(=O)NC(=O)CN(C)[C@@H](C)CS(=O)(=O)CC 354122968 QQQDWOGAQKNFNI-JTQLQIEISA-N 305.400 -0.247 30 20 DBED C=C[C@H](CO)NC(=O)C(=O)Nc1ccn(-c2ccccc2)n1 354548076 RTFXRDXKQPEXFW-LLVKDONJSA-N 300.318 0.474 30 20 DBED CCOc1ccc(NC(=O)C(=O)NCC(=O)NCC#N)cc1F 357291535 PXCOFVPJWVPOLV-UHFFFAOYSA-N 322.296 -0.081 30 20 DBED C=CCOC[C@@H](NC(=O)c1cn([C@@H]2CCOC2)nn1)C(=O)OC 360756024 SURQUMZNUUDVDC-ZYHUDNBSSA-N 324.337 -0.287 30 20 DBED COC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(C#N)cc1OC 361964118 MESCJYXIFGURDM-SECBINFHSA-N 314.319 -0.621 30 20 DBED C=CCNC(=O)NC(=O)CN1CCN([C@@H]2CCC[C@H]2O)CC1 369266195 ATDAPGPSSSPUAC-CHWSQXEVSA-N 310.398 -0.471 30 20 DBED N#Cc1ccc(C(=O)NCC(=O)N2C[C@H](O)C[C@H]2CO)cc1 370418841 OQZIUAOMGMGJLE-QWHCGFSZSA-N 303.318 -0.758 30 20 DBED CN(CCC#N)C[C@H](O)Cn1nnn(-c2ccccc2)c1=O 414100944 BIGUTBSKWZVOFO-ZDUSSCGKSA-N 302.338 -0.365 30 20 DBED N#Cc1c[nH]c(C(=O)NCCNS(=O)(=O)Cc2ccon2)c1 426841830 AUEUMSYMFZHTAZ-UHFFFAOYSA-N 323.334 -0.276 30 20 DBED N#CCCNC(=O)c1ccc2c(c1)S(=O)(=O)N=C1N=CNN12 427613187 BORJHVAVXZNATB-UHFFFAOYSA-N 318.318 -0.259 30 20 DBED Cc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H](C)S(N)(=O)=O 442363500 YPKKJKXZJNENIV-VIFPVBQESA-N 324.362 -0.402 30 20 DBED Cc1nc(C#N)c(C#N)n1CC(=O)N1CCCC[C@H]1C(N)=O 442913141 PEHGZIPUZPLYMP-NSHDSACASA-N 300.322 -0.199 30 20 DBED CC(C)N1CC[C@H](N(C)S(=O)(=O)N2CCO[C@@H](C#N)C2)C1 452098991 BJDULZMGBXRNGN-STQMWFEESA-N 316.427 -0.130 30 20 DBED C#CCN1CCN(C(=O)CN2CC[C@@H](C(=O)OC)[C@H]2C)CC1 490738679 CCLKKLGUYUBTPB-ZIAGYGMSSA-N 307.394 -0.353 30 20 DBED C#CCNC(=O)C1CCN([C@@H](C)C(=O)NCC(=O)OC)CC1 491201351 GUUNPQCOELUPSB-NSHDSACASA-N 309.366 -0.875 30 20 DBED C#CCN(CC#CC)C(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C 491266841 QXQLVGYEHBXNJT-OLZOCXBDSA-N 305.378 -0.299 30 20 DBED C#CCNC(=O)CN1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 491662369 QSJQODKADUWUMP-UHFFFAOYSA-N 320.353 -0.842 30 20 DBED C#CCNC(=O)NC[C@@H](NS(=O)(=O)N(C)C)C1CCCC1 491702616 RPBRHTQXOCPRHK-GFCCVEGCSA-N 316.427 -0.126 30 20 DBED N#Cc1ccc(OCC(=O)NC[C@H]2CS(=O)(=O)CCO2)cc1 535786826 USUWIRAGCGFHHV-ZDUSSCGKSA-N 324.358 -0.133 30 20 DBED N[C@@H]1C[C@H]2CN(C(=O)NCC#Cc3ccccc3)CCN2C1=O 568294578 WENYNJXEOBIJQY-LSDHHAIUSA-N 312.373 -0.009 30 20 DBED N#C[C@@H]1CN(S(=O)(=O)N2CCOC[C@H]2C2CCC2)CCO1 572398857 GGPOURCQDNEJQE-OLZOCXBDSA-N 315.395 -0.044 30 20 DBED C=CCN(CCOC)C(=O)C(=O)N1C[C@@H](C)[C@H](C(=O)OC)C1 592438815 QLHIHNVGJLUXGA-VXGBXAGGSA-N 312.366 -0.085 30 20 DBED CS(=O)(=O)N1CCCC[C@H]1C(=O)N1CC[C@](O)(CC#N)C1 592837900 LCIPYNYVRFKXIS-WCQYABFASA-N 315.395 -0.322 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H](CCC(=O)O)C(=O)O 593254593 NWMBYGLDQFXABM-RKDXNWHRSA-N 321.355 -0.380 30 20 DBED CN1C[C@H](C(=O)N2CCN(c3ncccc3C#N)CC2)NC1=O 596695018 RTNHGJPRAZYXLR-GFCCVEGCSA-N 314.349 -0.375 30 20 DBED CCN(C[C@H](C)C#N)S(=O)(=O)NCCOCC(=O)OC 599445642 FSSNUSUWZSXNBG-SNVBAGLBSA-N 307.372 -0.508 30 20 DBED CS(=O)(=O)N1CCN(CCNCc2cccc(C#N)n2)CC1 602550279 LKPGQDDVRCTEHI-UHFFFAOYSA-N 323.422 -0.380 30 20 DBED C=CCCCCNC(=O)C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1OC 612187924 RXDKEVFZGZPGOK-GHMZBOCLSA-N 318.395 -0.613 30 20 DBED C=CCOCCCNC(=O)C(=O)N1CCO[C@H](C(=O)O)C1 659663113 DPSCFZNKECKJAS-JTQLQIEISA-N 300.311 -0.993 30 20 DBED C#Cc1cccc(NC(=S)NNC(=S)NCC(N)=O)c1 727290960 SBOIIOTXBFXLIQ-UHFFFAOYSA-N 307.404 -0.181 30 20 DBED C=CCNC(=O)[C@H](C)OC(=O)[C@@H]1CCCN1S(C)(=O)=O 729627262 KAUXKDAERDKKRW-UWVGGRQHSA-N 304.368 -0.356 30 20 DBED C=CCNC(=O)[C@H](C)OC(=O)Cn1[nH]cc2c(=O)ncnc1-2 730658904 NSDOKGOFNRBALT-QMMMGPOBSA-N 305.294 -0.695 30 20 DBED C[C@@H](CC#N)OC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 733711028 QZSLDLIAQWTJSS-VIFPVBQESA-N 319.321 -0.331 30 20 DBED C[C@@H](OC(=O)CNS(=O)(=O)c1ccccc1C#N)C(=O)O 737705449 JIEUPNDKCGJRSF-MRVPVSSYSA-N 312.303 -0.147 30 20 DBED C#C[C@H](NC(=O)NCCCNS(=O)(=O)CC)[C@H]1CCCO1 773277086 QPSBWPFZRDUWES-NWDGAFQWSA-N 317.411 -0.204 30 20 DBED C#CCCN1CCN(CC(=O)N2CCC[C@@H](NC(C)=O)C2)CC1 776595098 CHRLIDZZIGTGNV-MRXNPFEDSA-N 320.437 -0.246 30 20 DBED C=CCN1CC[C@H](N(C)Cn2nc3cnccn3c2=O)C1=O 799143609 MTDHUDLKFHVEGJ-NSHDSACASA-N 302.338 -0.433 30 20 DBED CC(=O)N1CCN(S(=O)(=O)NC(=O)CCCC#N)CC1 813944356 QEVSIOWUMAAIBQ-UHFFFAOYSA-N 302.356 -0.795 30 20 DBED C=C[C@H](O)C(=O)NCc1csc(N(C)C(=O)[C@@H](O)C=C)n1 826839609 SSUUZHARTUDXPY-UWVGGRQHSA-N 311.363 -0.184 30 20 DBED C#C[C@@H](NC(=O)C(=O)c1cc(S(N)(=O)=O)cn1C)C(C)C 847119172 ZXQWFNJIZYIYKR-SNVBAGLBSA-N 311.363 -0.371 30 20 DBED C/N=C(/NCCc1nccnc1C)NCCN1CCOCC1 849033748 YDVATPLFVREVLX-UHFFFAOYSA-N 306.414 -0.175 30 20 DBED N#C[C@@H]1CNC[C@H]1NC(=O)c1ccc(CN2CCOCC2)o1 884250384 CYGBSZVMKBYZMK-DGCLKSJQSA-N 304.350 -0.047 30 20 DBED C#CC1(O)CN(C(=O)[C@H](Cc2cnc[nH]2)NC(=O)CC(C)C)C1 890525600 BGXTYZJLRUIMAW-ZDUSSCGKSA-N 318.377 -0.310 30 20 DBED CCOC(=O)[C@]1(COC)CCCN(C(=O)NCC#CCO)C1 923767790 CFRNTKHQJUWXFQ-OAHLLOKOSA-N 312.366 -0.017 30 20 DBED C#CCN1CCC[C@@H](NC(=O)N2CCC(O)(C(N)=O)CC2)C1 924038059 PZWCRXUYLLNWAB-GFCCVEGCSA-N 308.382 -0.894 30 20 DBED C=CCOc1cccnc1C(=O)N[C@@H]1CCN(C(=O)C(N)=O)C1 942470999 OCGOWOSTSKAHIY-SNVBAGLBSA-N 318.333 -0.538 30 20 DBED C[C@@H](C#N)C(=O)N1CC(N(C)C(=O)[C@@]2(C)CCNC(=O)C2)C1 954653560 QWBKHZDNARQFEZ-BONVTDFDSA-N 306.366 -0.268 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@H]2COC(=O)N2)C1 955364974 ZHNYMZJFNRSUDJ-WOPDTQHZSA-N 323.349 -0.645 30 20 DBED Cc1cc(C)c(C(=O)NC[C@H]2CN(CC#N)C[C@H]2O)c(O)n1 958300166 MAINGKVNIYNHBU-NWDGAFQWSA-N 304.350 -0.050 30 20 DBED C#Cc1ccc(C(=O)NC[C@H]2CN(CC(=O)NC)C[C@H]2O)cc1 958303173 BPSGWNDYDXMZCL-LSDHHAIUSA-N 315.373 -0.564 30 20 DBED CC(=O)N1CC(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2C)C1 958368301 PDDXDVSPEIHGGM-GIPNMCIBSA-N 306.366 -0.413 30 20 DBED Cn1cc(CN2C[C@H]3[C@H](NC(=O)c4c[nH]c(C#N)c4)[C@H]3C2)nn1 958618796 WIWHIQZULIKDBG-WDNDVIMCSA-N 311.349 -0.125 30 20 DBED Cn1nnc(CNCC2CC(NC(=O)c3c[nH]c(C#N)c3)C2)n1 961731395 LRDOZBOEJWYYHK-UHFFFAOYSA-N 314.353 -0.292 30 20 DBED C[C@@H](C#N)C(=O)N1C[C@H]2CN(C(=O)[C@@H]3CCCNC3=O)C[C@H]2C1 961769554 CMVFVZWEPRIAOJ-WUHRBBMRSA-N 318.377 -0.411 30 20 DBED O=C(N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O)[C@@H]1CCCOC1 961861142 BTFBUAPCDJMNQP-MCIONIFRSA-N 306.362 -0.486 30 20 DBED C#CCCN1C[C@H]2[C@H](NC(=O)CN3C(=O)NC(C)(C)C3=O)[C@H]2C1 962458610 YPAXEAWYWZIQSO-PJXYFTJBSA-N 318.377 -0.614 30 20 DBED Cc1cc(C(=O)NC[C@H]2COCCN2C(=O)[C@H](C)C#N)n(C)n1 964099820 KBPJWMGWOVVFFW-PWSUYJOCSA-N 319.365 -0.155 30 20 DBED C[C@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)c1cccnn1 964328932 KOAIDIHINCDQCR-GHMZBOCLSA-N 303.322 -0.407 30 20 DBED N#Cc1c[nH]c(C(=O)N2CCC[C@H](NC(=O)C(N)=O)CC2)c1 965129653 DNVIXEFXAWUPFB-JTQLQIEISA-N 303.322 -0.517 30 20 DBED C[C@H]1CCN(CC#N)C[C@@H]1NC(=O)c1cn(C)c(=O)n(C)c1=O 968374029 KPCOSLCFYWMDJM-JQWIXIFHSA-N 319.365 -0.952 30 20 DBED C=CCCn1cc(C(=O)N2CC[C@@H](N[C@@H](CC)C(N)=O)C2)nn1 970224710 XTZWNCVLEIDQBS-NEPJUHHUSA-N 320.397 -0.078 30 20 DBED C=CCN1CCO[C@]2(CCN(C(=O)c3ccc(=O)n(C)n3)C2)C1 972664195 ICZFXBJFGZMBTI-MRXNPFEDSA-N 318.377 -0.117 30 20 DBED Cn1cc(C(=O)N[C@H]2C[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)nn1 973143018 NWUQTKHYERCRHP-MGCOHNPYSA-N 313.321 -0.294 30 20 DBED CN(C[C@H]1CCN1C(=O)C#CC1CC1)C(=O)[C@@H]1CCC(=O)N1 978103742 KNOKKSDTNSODSE-OLZOCXBDSA-N 303.362 -0.262 30 20 DBED C#CCCN1C[C@H]2[C@H](CNC(=O)c3cnc(O)n(C)c3=O)[C@H]2C1 978604982 ZEIAEMPBIXQFEQ-UOJUARBOSA-N 316.361 -0.583 30 20 DBED C[C@H]1C[C@H](NCC#N)CN1C(=O)CCc1nnc(O)nc1O 989086741 IKPWRRFNBWPUFJ-IUCAKERBSA-N 306.326 -0.682 30 20 DBED C[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1CNC(=O)c1cnnn1C 993962922 YMHFKCONNRDFMO-GMTAPVOTSA-N 304.354 -0.201 30 20 DBED C#Cc1ccc(C(=O)NC2CN(C(=O)Cc3ccnn3C)C2)nc1 997088746 VKMTXQLVJHBURM-UHFFFAOYSA-N 323.356 -0.020 30 20 DBED C=CCn1cc(C(=O)N2CC(NC(=O)[C@@]3(F)CCOC3)C2)nn1 998151367 TZDWDTHKPBRPHY-CQSZACIVSA-N 323.328 -0.467 30 20 DBED N#CCN1CCC(CNC(=O)c2cnn3c(=O)cc[nH]c23)CC1 1001917413 LVFXZZHDMVKXRN-UHFFFAOYSA-N 314.349 -0.012 30 20 DBED C[C@H](C#N)C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cnn(C)n1 1004132160 VPJFSTOBUCZTCK-BFLSOPEQSA-N 302.338 -0.164 30 20 DBED C#CCCN1CCC(N(C)C(=O)CN2CC(=O)N(C)C2=O)CC1 1006283704 KSPRLGTZGDPXOE-UHFFFAOYSA-N 320.393 -0.174 30 20 DBED C=CCN1CC[C@@H](N2CCC[C@H](NC(=O)c3nc[nH]n3)C2)C1=O 1008923941 JQYVNFUTYNGKJH-NWDGAFQWSA-N 318.381 -0.214 30 20 DBED N#Cc1cc(C(=O)N2CCN(C(=O)Cc3nc[nH]n3)CC2)c[nH]1 1011027758 BXEHKMRGUNSGTA-UHFFFAOYSA-N 313.321 -0.468 30 20 DBED C=C1CC(C)(C(=O)NC2[C@@H]3CN(C(=O)c4nnn(C)n4)C[C@@H]23)C1 1013750335 OKDDEJSVFRHQFP-NXEZZACHSA-N 316.365 -0.247 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@@]2(NC(=O)Cn3ncnn3)CCC[C@@H]12 1014289916 BVRJGWYVTGDXAH-GYSYKLTISA-N 317.353 -0.527 30 20 DBED Cc1cc2[nH]c(=O)c(C(=O)N3C[C@@H]4C[C@H]3CN4CC#N)cn2n1 1032681675 HCHPEPUMJLSORM-QWRGUYRKSA-N 312.333 -0.247 30 20 DBED C#CCN1CC[C@H](N(C)C(=O)Cc2c(C)nc(O)nc2O)C1 1033529921 KQIMKMLKXWVFSI-NSHDSACASA-N 304.350 -0.095 30 20 DBED COc1ccnc(O)c1C(=O)NC[C@@H]1CN(CC#N)CCO1 1035581610 FLRLPBIQZKMQPV-SNVBAGLBSA-N 306.322 -0.250 30 20 DBED N#CCN1CC[C@@H]2CN(C(=O)Cn3ccc(O)nc3=O)CC[C@@H]21 1036764075 LDZATVGFUUMDKP-NEPJUHHUSA-N 317.349 -0.605 30 20 DBED C=CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)CN1C(=O)NC(=O)C1(C)C 1037654199 VUYXBOXXNIEZKM-SCVCMEIPSA-N 306.366 -0.308 30 20 DBED CC#CCN1CC[C@@H]1CNC(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1 1038696300 FXLZPGFEQJOIRW-MCIONIFRSA-N 307.394 -0.164 30 20 DBED C=CCCC(=O)N1CC[C@](O)(CNC(=O)[C@H](C)NC(N)=O)C1 1039553844 XUKOBYRMUZBDNP-HZMBPMFUSA-N 312.370 -0.911 30 20 DBED C=C(C)CCC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2CCC(=O)N2)C1 1039986815 IANNUOANFMYKNE-LRDDRELGSA-N 323.393 -0.299 30 20 DBED C=CCCOCC(=O)NC[C@]1(O)CCN(C(=O)c2ccon2)C1 1040156153 JGFCXLOVPWKVJX-OAHLLOKOSA-N 323.349 -0.040 30 20 DBED C[C@H](C#N)C(=O)N1CC[C@](O)(CNC(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1040609252 NVLBQRRFCYYVEK-KLFGWDPYSA-N 307.350 -0.882 30 20 DBED CC(C)C#CC(=O)N1CC[C@](O)(CNC(=O)c2cccnn2)C1 1040682294 PFEBLOHUYKUWSV-INIZCTEOSA-N 316.361 -0.171 30 20 DBED C[C@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)c2cncnc2O)C1 1040767491 YCJRVEDYFMYBRB-YMTOWFKASA-N 319.321 -0.965 30 20 DBED C#CCN1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)C2CCC2)C1 1041114331 CMTNOFBSUVOPFH-AWEZNQCLSA-N 319.405 -0.426 30 20 DBED C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)c2ccc(O)nn2)C1 1041342852 OLXRKHAWFHAIIE-UHFFFAOYSA-N 320.349 -0.303 30 20 DBED N#CCN1CC[C@]2(CCN(C(=O)c3nnc(O)nc3O)C2)C1 1041446588 UXNNYJBRMXYYSO-ZDUSSCGKSA-N 304.310 -0.656 30 20 DBED N#CCSCC(=O)NCC1(O)CN(C(=O)CCCF)C1 1041574097 CGARUWLFAYLCTC-UHFFFAOYSA-N 303.359 -0.318 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@]2(CCN(CC(N)=O)C2)C1 1041695649 DHMFDOBFQNWSEG-WWGRRREGSA-N 307.394 -0.013 30 20 DBED C=CCCC(=O)NCC1(O)CN(C(=O)[C@H]2CCN(C(C)=O)C2)C1 1041956513 OITQDNNQWDWQEV-ZDUSSCGKSA-N 323.393 -0.490 30 20 DBED CCn1cc(C(=O)NCC2(O)CN(C(=O)[C@@H](C)C#N)C2)cn1 1042167195 OJJOMIOTGQHDOY-JTQLQIEISA-N 305.338 -0.634 30 20 DBED C=CCN1CC[C@@H](N2CC(N(C)C(=O)c3cnn(C)c3)C2)C1=O 1042464015 SFEMMFCOILWKLH-CQSZACIVSA-N 317.393 -0.037 30 20 DBED CN(C(=O)c1ccc(C#N)[nH]1)C1CN([C@H]2CCCNC2=O)C1 1042628578 LEOLZXCPMXQAAD-ZDUSSCGKSA-N 301.350 -0.079 30 20 DBED C=C[C@](C)(O)CC(=O)NCC1(O)CN(C(=O)[C@@H](C)COC)C1 1042806878 MAWLNHQXMOCSJP-FZMZJTMJSA-N 314.382 -0.715 30 20 DBED C[C@@H]1C[C@H](C(=O)N2CC(O)(CNC(=O)C#CC3CC3)C2)CCO1 1042960693 NBFNUDYQWBZLCF-TZMCWYRMSA-N 320.389 -0.096 30 20 DBED O=C(CCc1cn[nH]c1)NCC1(O)CN(C(=O)C#CC2CC2)C1 1043218970 UWGHPBMOMNFPNV-UHFFFAOYSA-N 316.361 -0.555 30 20 DBED C=CCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)c2cccnc2)C1 1043568419 MJNXSIITCPRION-LBPRGKRZSA-N 319.361 -0.024 30 20 DBED C=CCO[C@H](C)C(=O)NCC1(O)CN(C(=O)c2n[nH]cc2C)C1 1043568541 AHHIKTYHQCMZQJ-LLVKDONJSA-N 322.365 -0.388 30 20 DBED Cn1nccc1C(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@@H]1O 1043864509 KLVSERHTVXTBNA-OCCSQVGLSA-N 312.333 -0.334 30 20 DBED N#Cc1cncc(N2C[C@H](O)[C@H](NC(=O)Cc3ccoc3)C2)n1 1043920656 AWIJRFUWWOYZBZ-OLZOCXBDSA-N 313.317 -0.150 30 20 DBED C=C(C)CN1CC[C@@H](N2CCN(C(=O)[C@@H]3COC(=O)N3)CC2)C1 1046025437 ZMWJTAIJNDKOGT-KGLIPLIRSA-N 322.409 -0.111 30 20 DBED C#CCN1CC[C@H](N2CCN(C(=O)[C@@]3(C)CCNC3=O)CC2)C1 1046060960 GMLLRUFVBZAOSH-YOEHRIQHSA-N 318.421 -0.636 30 20 DBED C#CCN1C[C@H](O)[C@@H](N(C)C(=O)Cc2ncccc2OC)C1 1047503987 USROIMAZCPCCFV-KBPBESRZSA-N 303.362 -0.231 30 20 DBED N#CCN1C[C@H]2CN(C(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)C[C@H]2C1 1048954833 GHDVRHLHNQRLNR-AIEDFZFUSA-N 305.378 -0.048 30 20 DBED C=CCn1cc(C(=O)NC[C@@H]2COCCN2C[C@@H](C)O)nn1 1051156688 WTHOYUAETOUESC-VXGBXAGGSA-N 309.370 -0.725 30 20 DBED CC#CCN1CCOC[C@H]1CNC(=O)c1cccn(C)c1=O 1051216720 LGZSTWKGJYFWQI-CYBMUJFWSA-N 303.362 -0.161 30 20 DBED C=CCCC(=O)N1C[C@H](C)[C@H](CNC(=O)Cn2cnnn2)C1 1052173808 AKMHBHZNPHXITE-NWDGAFQWSA-N 306.370 -0.150 30 20 DBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1C 1053172284 UUAFUDVPPBDFEQ-MNOVXSKESA-N 322.369 -0.763 30 20 DBED C=C(C)CCN1CC2(C[C@H](NC(=O)[C@H]3CN(C)C(=O)N3)CO2)C1 1053890641 CWJQSECDESGNLN-QWHCGFSZSA-N 322.409 -0.064 30 20 DBED C=CCN1CC2(C[C@@H](NC(=O)c3ccn4nnnc4c3)CO2)C1 1053890883 LMAATNPGCNOGNA-GFCCVEGCSA-N 314.349 -0.117 30 20 DBED N#CCN1CC2(C[C@H](NC(=O)c3cc(C(N)=O)co3)CO2)C1 1053921740 MVYGBRIBQRZRJL-JTQLQIEISA-N 304.306 -0.525 30 20 DBED CC(C)(C(N)=O)C(=O)N1CCN(c2cncc(C#N)n2)CC1 1055931782 BBYOTHBPONGOCX-UHFFFAOYSA-N 302.338 -0.492 30 20 DBED CC(C)C#CC(=O)N1CCC[C@@](CO)(NC(=O)c2cnn[nH]2)C1 1056005871 UGTDXCWMESJQOR-OAHLLOKOSA-N 319.365 -0.453 30 20 DBED Cn1nccc1C(=O)NC1[C@@H]2CN(c3cncc(C#N)n3)C[C@@H]12 1056136748 AJVSBHMKWVTQFL-GHMZBOCLSA-N 309.333 -0.054 30 20 DBED C=C[C@](C)(O)CC(=O)N1CC[C@@H]2[C@H]1CCCN2C(=O)CC(N)=O 1056324002 JKABHEUSJRRWAR-HSMVNMDESA-N 323.393 -0.219 30 20 DBED C=CCCC(=O)NCCN(CCO)C(=O)CN1CCCC1=O 1056933255 UGJPVDHPVMFSHY-UHFFFAOYSA-N 311.382 -0.488 30 20 DBED CS[C@@H](C)C(=O)NCCN(CCO)C(=O)CSCC#N 1057027114 ZMEGLJGETDSMHJ-JTQLQIEISA-N 319.452 -0.068 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)CCCOCC 1057193652 NJNCDMCYNOQUTR-UHFFFAOYSA-N 316.398 -0.057 30 20 DBED C=CCOCC(=O)N(CCO)CCNC(=O)CCc1cnc[nH]1 1057196805 XDBDGVPTYWKURY-UHFFFAOYSA-N 324.381 -0.518 30 20 DBED C#CCNC(=O)CC(=O)N(CCO)CCNC(=O)C(C)(C)C 1057396202 ZBUNKASZPWCFGI-UHFFFAOYSA-N 311.382 -0.891 30 20 DBED Cn1cncc1CC(=O)NCCN(CCO)C(=O)C#CC1CC1 1057533893 YSQPWAYZZIPJKD-UHFFFAOYSA-N 318.377 -0.687 30 20 DBED C[C@H](C#N)C(=O)N(CCO)CCNC(=O)[C@H](F)C(F)(F)F 1058660984 MJSMQNPIOSNBNF-SFYZADRCSA-N 313.251 -0.016 30 20 DBED CN1CCO[C@@H](C(=O)N[C@H]2C[C@H](Nc3cncc(C#N)n3)C2)C1 1059172121 AULMEQBMZSAZGH-NQBHXWOUSA-N 316.365 -0.262 30 20 DBED N#Cc1nccnc1N[C@H]1C[C@H](NC(=O)Cn2cnnc2O)C1 1059180584 LLLZWGSLXPXATE-KYZUINATSA-N 314.309 -0.595 30 20 DBED N#Cc1cnc(NC[C@H]2CCN(C(=O)C3(C(N)=O)CC3)C2)cn1 1060968117 VODCSNSYQTWHDT-SNVBAGLBSA-N 314.349 -0.126 30 20 DBED C=CCCC(=O)NC[C@@H]1COCCN1C(=O)[C@@H](C)CC(N)=O 1061402005 PUKGXGJVHVSMHW-NWDGAFQWSA-N 311.382 -0.192 30 20 DBED C=CCCC(=O)NC[C@@H]1COCCN1C(=O)[C@H]1CCC(=O)NC1 1061402481 UHASMKYDHDJTMU-QWHCGFSZSA-N 323.393 -0.178 30 20 DBED C=CCOCC(=O)NC[C@@H]1COCCN1C(=O)c1cnco1 1061419326 JLQXDSQUJSLEOW-LLVKDONJSA-N 309.322 -0.166 30 20 DBED C[C@@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)CCn1ccnc1 1061735567 SRIMMNBRSXIDSP-QWHCGFSZSA-N 319.365 -0.224 30 20 DBED CCn1ncc(C(=O)N2CCOC[C@H]2CNC(=O)[C@@H](C)C#N)n1 1061847671 MINYQMYZTHDVPP-WDEREUQCSA-N 320.353 -0.585 30 20 DBED N#Cc1cnc(N2C[C@H]3C[C@H]2[C@H]3NC(=O)c2cnnc(O)c2)cn1 1064308626 FVPOGHIIGDIRJT-PUYPPJJSSA-N 323.316 -0.149 30 20 DBED C#CCCCCC(=O)NC[C@@H]1CN(C(=O)CNC(C)=O)CCO1 1064775373 NHROSLUVHPKFEW-CQSZACIVSA-N 323.393 -0.340 30 20 DBED C#CCCCC(=O)N1CCO[C@@H](CNC(=O)[C@H]2CCC(=O)N2)C1 1065092122 FHTGHTWDEJHPDG-QWHCGFSZSA-N 321.377 -0.588 30 20 DBED C#CCCCC(=O)N1CCO[C@@H](CNC(=O)[C@H]2COCCO2)C1 1065099563 LFBLTLPPAOXJOF-UONOGXRCSA-N 324.377 -0.451 30 20 DBED C#CCO[C@@H](C)C(=O)N1CCO[C@@H](CNC(=O)COCC)C1 1065152600 MJMZPVTVXYZQTK-STQMWFEESA-N 312.366 -0.595 30 20 DBED Cn1ncc(C(=O)N2CCO[C@H](CNC(=O)C#CC3CC3)C2)n1 1065345875 YCBMKWCPSLMELD-GFCCVEGCSA-N 317.349 -0.814 30 20 DBED C=CC(C)(C)C(=O)N1CCO[C@H](CNC(=O)Cn2nccn2)C1 1065420834 NUJXWDLTYAZASW-GFCCVEGCSA-N 321.381 -0.166 30 20 DBED C[C@H](C#N)C(=O)NC[C@H]1CN(C(=O)CCCCC(N)=O)CCO1 1065618023 NARIJAOOUFFCIE-NEPJUHHUSA-N 324.381 -0.465 30 20 DBED C=CCOCC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CCNC2=O)CC1 1065983254 ZUAHFTUAOLLPGR-CHWSQXEVSA-N 323.393 -0.178 30 20 DBED Cc1nc(N[C@]2(CO)CCCN(C(=O)C(N)=O)C2)ccc1C#N 1066920704 YLZSJPDZKFDQBV-OAHLLOKOSA-N 317.349 -0.488 30 20 DBED N#Cc1ccc(N2C[C@@H](O)[C@@H](CNC(=O)c3ccccn3)C2)nn1 1067642257 AGLWMSDPEOJYHH-SMDDNHRTSA-N 324.344 -0.030 30 20 DBED C[C@@H](Nc1ccc(C#N)cn1)[C@@H]1CN(C(=O)CC(N)=O)CCO1 1068226896 CGQUJQBBTHAISZ-PWSUYJOCSA-N 317.349 -0.144 30 20 DBED C=C[C@@](C)(CC)C(=O)NC[C@H]1CCC2(CN(C(=O)C(N)=O)C2)O1 1068623791 DXZBMSQRWJUXTB-ABAIWWIYSA-N 323.393 -0.050 30 20 DBED C=CCOCC(=O)N1CC2(C[C@@H](NC(=O)[C@H]3CCOC3)CO2)C1 1068739720 QRILXORCKPYCMH-QWHCGFSZSA-N 324.377 -0.288 30 20 DBED Cc1n[nH]cc1C(=O)N1CC2(C[C@@H](NC(=O)[C@H](C)C#N)CO2)C1 1069007668 JJZPJTKWOYSTFW-MWLCHTKSSA-N 317.349 -0.023 30 20 DBED CCc1nc(C#N)cc(N2CCC[C@H](NC(=O)C(N)=O)[C@H]2C)n1 1069403599 BZYOWLOUIHKLLA-KOLCDFICSA-N 316.365 -0.131 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)C[C@@H]2COC(=O)C2)C1 1069910093 FBMRAUOKCFJRRI-XQQFMLRXSA-N 319.365 -0.241 30 20 DBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H]2CCN(C)C2)C1 1070096277 RLKPPLSBPSNGSN-MCIONIFRSA-N 304.398 -0.243 30 20 DBED CN1CC[C@@H](C(=O)N2C[C@H](n3ccnn3)[C@H](NCC#N)C2)C1 1070326759 BJWZMNOBGLYUBC-UPJWGTAASA-N 303.370 -0.905 30 20 DBED C=CCN[C@@H]1CN(C(=O)Cn2ccnc2)C[C@@H]1n1ccnn1 1070337055 JYOSRWAXUFYAKT-OLZOCXBDSA-N 301.354 -0.298 30 20 DBED Cn1cnc([C@@H]2CN(C(=O)[C@@H]3COCCO3)C[C@H]2NCC#N)c1 1070472660 RRUPYGARCGARJU-YUTCNCBUSA-N 319.365 -0.757 30 20 DBED C#CCN1CCOC[C@H]1c1n[nH]c(CNC(=O)c2cnco2)n1 1070587996 LRDSFAXOSOAWKF-JTQLQIEISA-N 316.321 -0.271 30 20 DBED CNC(=O)CN1C[C@H]2C[C@@H]3CN(C(=O)C#CC4CC4)C[C@@]3(C1)O2 1070798066 HRDVRNHWRLGZFE-CKEIUWERSA-N 317.389 -0.553 30 20 DBED C#CCCN1CC[C@@]2(C1)CN(C(=O)Cn1nccn1)C[C@@H](C)O2 1071173315 HCKOFRLBTKODIJ-GDBMZVCRSA-N 317.393 -0.007 30 20 DBED C#CCOCCC(=O)N1C[C@H](C)[C@H](NC(=O)C2(C(N)=O)CC2)C1 1072102984 YZBWRHHFOGQINO-NWDGAFQWSA-N 321.377 -0.745 30 20 DBED CC(C)C#CC(=O)N[C@@H]1CN(C(=O)Cn2cncn2)C[C@@H]1C 1072772935 MIERNMPVGSFBRU-QWHCGFSZSA-N 303.366 -0.099 30 20 DBED N#CCN1CCCO[C@@H](CNC(=O)c2cc(C(N)=O)co2)C1 1073767295 XIZGIRQNICKVMD-NSHDSACASA-N 306.322 -0.277 30 20 DBED CCn1nc(C)c(C(=O)NC[C@@H]2CN(CC#N)CCCO2)n1 1073914508 VJVCILAQQKOFDM-GFCCVEGCSA-N 306.370 -0.049 30 20 DBED C#CCCN1CCO[C@@H]2CCN(C(=O)C(C)(C)C(N)=O)C[C@H]21 1074271498 NJZAWNBZQMSYPA-CHWSQXEVSA-N 307.394 -0.177 30 20 DBED C=C[C@](C)(O)CC(=O)N1C[C@H]2CCN(C(=O)C(N)=O)CC[C@H]2C1 1074360434 YHXMJBPPVIPTRH-OZVIIMIRSA-N 323.393 -0.504 30 20 DBED O=C(NCC1(O)CCN(C(=O)C#CC2CC2)CC1)c1ncc[nH]1 1074580907 BEKMDBBSKBDOCQ-UHFFFAOYSA-N 316.361 -0.094 30 20 DBED C[C@H](C#N)C(=O)NCC1(O)CCN(C(=O)CN2CCCC2)CC1 1074594354 WIVINLVEXLALCW-CYBMUJFWSA-N 322.409 -0.288 30 20 DBED C#CCCCC(=O)N[C@H]1CCN(C(=O)CNC(N)=O)[C@H](C)C1 1074960450 KURLAXDGCVXVFF-NEPJUHHUSA-N 308.382 -0.046 30 20 DBED C#CCNC(=O)CC(=O)NCC[C@H](C)NC(=O)c1cc(F)c[nH]1 1076220118 PWAWWQWUOVWBAZ-JTQLQIEISA-N 322.340 -0.082 30 20 DBED C=C[C@](C)(O)CC(=O)N[C@@H](C)CCNC(=O)CCNC(N)=O 1076450033 JTTKKEXBEFKZDJ-HZMBPMFUSA-N 314.386 -0.617 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)c2ccnn2CC(F)F)C1 1076996583 DVVKSHYKKHOEAA-ZYHUDNBSSA-N 312.320 -0.054 30 20 DBED Cc1cccc2c1C[C@@H](C(=O)N[C@@H]1CN(CC#N)C[C@H]1O)O2 1078016996 MYUUFHKEHGWYBY-NFAWXSAZSA-N 301.346 -0.017 30 20 DBED CC#CCN1C[C@@H](O)[C@H](NC(=O)c2cnn3ccc(C)nc23)C1 1078021503 BNKCSOJZJKVMKQ-ZIAGYGMSSA-N 313.361 -0.164 30 20 DBED C[C@H](C#N)C(=O)N1CCCO[C@@H](CNCc2cnn(C)n2)C1 1078357728 AQZSLGHFNQRVBZ-YPMHNXCESA-N 306.370 -0.318 30 20 DBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)Cn1cncn1 1078574794 NIZBTIJYFZQZPQ-XQQFMLRXSA-N 321.381 -0.120 30 20 DBED C[C@@H]1CN([C@@H]2CCNC2=O)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 1079593899 MDXKBHNYFKMPJY-OASPWFOLSA-N 301.350 -0.175 30 20 DBED CCN(C(=O)C#CC(C)C)C1CN(C(=O)[C@@H]2COC(=O)N2)C1 1079724689 YBGQNCORUDWUTJ-LBPRGKRZSA-N 307.350 -0.187 30 20 DBED C=CCOCC(=O)N1CC(N(CC)C(=O)[C@H]2CCNC2=O)C1 1080217248 AKCCOYINOLTMBI-LBPRGKRZSA-N 309.366 -0.616 30 20 DBED C=CCn1cc(C(=O)N[C@@H]2CN([C@H](C)C(=O)NC)C[C@H]2C)nn1 1080578958 IFXDOKZLHVXPHC-IJLUTSLNSA-N 320.397 -0.351 30 20 DBED N#CCSCC(=O)NC[C@H]1CN(C(=O)c2cocn2)C[C@@H]1O 1081286754 OPVBWOROURPATQ-ONGXEEELSA-N 324.362 -0.520 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H](CNC(=O)/C(C)=C\C)[C@@H](O)C1 1081391186 JGRNTXUBLPYTTG-CGGDQNISSA-N 321.377 -0.972 30 20 DBED CC(C)C#CC(=O)NC[C@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1O 1081462806 FQKSQYDXEMXDDM-WDEREUQCSA-N 305.338 -0.987 30 20 DBED CCC(=O)NCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C#CC(C)C)C1 1081462845 GGNWZSQGVARQFF-QWHCGFSZSA-N 323.393 -0.893 30 20 DBED N#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)C[C@@H]1CCC(=O)NC1 1083104243 XLWYMFQLUFEQOA-RWMBFGLXSA-N 306.366 -0.662 30 20 DBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CN(CC)CCO1 1083279237 QNPHSMHJKUSKNI-ARFHVFGLSA-N 321.421 -0.358 30 20 DBED C=CCN1C[C@H](O)[C@H](NC(=O)c2ccc3c(c2)nnn3C)C1 1083571277 PDBVRBDFSGLXSR-OCCSQVGLSA-N 301.350 -0.071 30 20 DBED C=CCCn1cc(C(=O)N[C@@H]2CN(C[C@H](C)O)C[C@@H]2O)nn1 1083846540 FASSNAQEGBUDEW-LOWVWBTDSA-N 309.370 -0.990 30 20 DBED C#CCN1C[C@@H](NC(=O)Cn2cnnn2)[C@H](c2ccccc2)C1 1086574024 WPSSJWNIPOXJNX-LSDHHAIUSA-N 310.361 -0.110 30 20 DBED C#CCN[C@@H]1CC[C@H](CNC(=O)[C@@H]2COCCN2C(C)=O)C1 1086878921 KQJPWORPWJXWCP-ZNMIVQPWSA-N 307.394 -0.259 30 20 DBED N#CCN1CC[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@@H]2C1 1088104271 BFJZQKNYBDINFP-MROQNXINSA-N 306.366 -0.677 30 20 DBED C#CCCN1CC[C@@H]2CN(C(=O)Cn3c(O)nnc3O)C[C@@H]2C1 1088184270 WPZBZLSWHWZCMF-NEPJUHHUSA-N 319.365 -0.507 30 20 DBED C[C@@H]1CC[C@H](NC(=O)CC(N)=O)CN1c1ccc(C#N)nn1 1089128033 UVNDWVYEJNWJDK-KOLCDFICSA-N 302.338 -0.303 30 20 DBED C[C@@H](C[C@@H](C)N=c1cc[nH]c(C#N)n1)NC(=O)c1ncn(C)n1 1089290890 KGMBQBKUFDILDQ-ZJUUUORDSA-N 314.353 -0.092 30 20 DBED C=C(C)CCN1CC[C@H](NC(=O)c2cc(=O)n(C)cn2)[C@@H](O)C1 1090336528 IQUIARVWAMJNJV-JSGCOSHPSA-N 320.393 -0.089 30 20 DBED N#CCN1CC[C@H](NC(=O)C23CCCN(CCC2)C3)[C@@H](O)C1 1090356738 YAYPSSHKIDIMJT-KBPBESRZSA-N 306.410 -0.063 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(c2ccc(C)nn2)C[C@H]1O 1090494431 DNQBCBVXHRSNHG-CHWSQXEVSA-N 304.350 -0.509 30 20 DBED C[C@@H]1CN(c2nccnc2C#N)C[C@H]1NC(=O)CCCC(N)=O 1090731222 QVAMAQRNQLQSDQ-ZYHUDNBSSA-N 316.365 -0.055 30 20 DBED CCOCC(=O)N[C@@H]1CN(c2cc(C)ncc2C#N)C[C@@H]1O 1091069759 RDBGXFZSUKZNRS-OCCSQVGLSA-N 304.350 -0.036 30 20 DBED CO[C@@H](C)CC(=O)N[C@@H]1CN(c2nc(C)cc(C#N)n2)C[C@@H]1O 1091073466 QXKHLNRZGGNENR-UHTWSYAYSA-N 319.365 -0.253 30 20 DBED C#CCOCCC(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@@H]1O 1091149691 DXZYHTVCIDINJB-CABCVRRESA-N 314.345 -0.341 30 20 DBED C#CCN1CCC(C(=O)NCC2CC(NCC(N)=O)C2)CC1 1091377595 OODHTWFBIRFUGT-UHFFFAOYSA-N 306.410 -0.699 30 20 DBED CCc1nc(C#N)cc(N2CCN(C(=O)CC(=O)NC)CC2)n1 1093145753 ZZOFURDGMZSPQU-UHFFFAOYSA-N 316.365 -0.305 30 20 DBED CC(=O)N[C@H](C)C(=O)NC1[C@H]2CN(c3nccnc3C#N)C[C@H]12 1093207239 DNCKUEQGXFLLJX-MIMYLULJSA-N 314.349 -0.576 30 20 DBED N#CCN1CC(OC2CCN(C(=O)CN3CCOCC3)CC2)C1 1093526199 SUCWQRXTZMSVSB-UHFFFAOYSA-N 322.409 -0.466 30 20 DBED COC[C@@]1(C(=O)NCCNc2ccc(C#N)nn2)CCOC1 1094009959 KBDFHHZAAODCCF-AWEZNQCLSA-N 305.338 -0.071 30 20 DBED CC(C)(C)n1nnc(C(=O)NCCNc2nccnc2C#N)n1 1094202485 AAZQYGPJXWMJAV-UHFFFAOYSA-N 315.341 -0.068 30 20 DBED COc1cc(C(=O)NCc2cn(C3CN(CC#N)C3)nn2)on1 1094284421 KQWNWVLVMIUIRY-UHFFFAOYSA-N 317.309 -0.415 30 20 DBED N#Cc1cnc(NCCCNC(=O)CNC(=O)C2CC2)cn1 1094318160 PLFMZSHZTMJFPM-UHFFFAOYSA-N 302.338 -0.207 30 20 DBED C#CCN1CC(N2C[C@H](NC(=O)c3[nH]ccc3C)CC2=O)C1 1094729707 IWCRZKIPWKPRHT-GFCCVEGCSA-N 300.362 -0.029 30 20 DBED N#CCN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC1CS(=O)(=O)C1)C2 1094950704 OFNWISXMCCPCOH-UHTWSYAYSA-N 311.407 -0.086 30 20 DBED CC(=O)NCC(=O)N1CC[C@H](N(C)c2ccnc(C#N)n2)C1 1095088863 VNHPYTKLSBLMGZ-NSHDSACASA-N 302.338 -0.479 30 20 DBED C#CCCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H]1CCS(=O)(=O)N1 1098429548 XVKOVDNGVBVRPX-XQHKEYJVSA-N 311.407 -0.577 30 20 DBED COCC#CCN1CC[C@H](NC(=O)Cn2cc(C)cn2)[C@H](O)C1 1099712966 RYTKDXZMUVCMEO-LSDHHAIUSA-N 320.393 -0.607 30 20 DBED CCNC(=O)CN1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H](O)C1 1099757212 AVASLNMPJSOBCJ-AAEUAGOBSA-N 319.365 -0.813 30 20 DBED Cc1occc1C(=O)NCC(=O)N[C@H]1CCN(CC#N)C[C@H]1O 1099847494 NOFNJTIOOPHCQV-QWHCGFSZSA-N 320.349 -0.607 30 20 DBED C#CCC1(C(=O)N[C@@H]2CCN(CC#N)C[C@@H]2O)CCOCC1 1099869943 XZUJGGZBHMXJDZ-KGLIPLIRSA-N 305.378 -0.119 30 20 DBED C#CCN1CC[C@H](NC(=O)CCCn2nc(C)nc2C)[C@@H](O)C1 1100071561 GBZRZXXWEGNRNN-GJZGRUSLSA-N 319.409 -0.140 30 20 DBED CN(CCNC(=O)c1ccc(=O)n(C)n1)c1ccc(C#N)cn1 1100095334 FVVWJURSVFSHCG-UHFFFAOYSA-N 312.333 -0.087 30 20 DBED C=CCNC(=O)CNC1CC(CNC(=O)[C@@H](C)n2cncn2)C1 1100258423 GPIAMYNYEAVMLA-PNESKVBLSA-N 320.397 -0.374 30 20 DBED C#CCN1CCC[C@H]1C(=O)NCCN(C)c1cnc(C#N)cn1 1100388605 TWQYRJBSTMHRJN-AWEZNQCLSA-N 312.377 -0.002 30 20 DBED C#CCNC(=O)CNC1CC(CNC(=O)C(C)(C)NC(C)=O)C1 1100759665 ARVLHTVUPSMSRN-UHFFFAOYSA-N 322.409 -0.865 30 20 DBED COC[C@@H](C)CC(=O)NCC1CC(NCC(=O)NCC#N)C1 1100809099 VTMBYHOYUQCSOF-HIFPTAJRSA-N 310.398 -0.217 30 20 DBED C=CCOCC(=O)NC[C@H]1CCN(c2ccc3nnnn3n2)C1 1100946763 ZFZAOHYQALYFIQ-LLVKDONJSA-N 317.353 -0.336 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1CCN(c2ncnc3c2nnn3C)C1 1100949696 FXCBFBKGWMQHSQ-VHSXEESVSA-N 314.353 -0.140 30 20 DBED C#CCNC(=O)CC(=O)N1C[C@H]2CN(C[C@@H](C)OC)C[C@@]2(C)C1 1101207719 PSJPIZLADVTJTM-CPUCHLNUSA-N 321.421 -0.059 30 20 DBED CS(=O)(=O)CC(=O)N[C@@H]1CC2(CN(CC#N)C2)n2ccnc21 1101612425 WOQQJVUISNCHRT-SNVBAGLBSA-N 323.378 -0.977 30 20 DBED CCOCCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)[C@H](C)C#N)C1 1101822360 MYDNBVXNHUVXAC-MGPQQGTHSA-N 324.425 -0.017 30 20 DBED N#Cc1cnc(N2CCCC[C@H](NC(=O)CNC(N)=O)C2)cn1 1102841013 YSAVSSZWSNCBBA-JTQLQIEISA-N 317.353 -0.508 30 20 DBED C[C@H](CNC(=O)C[C@@H](C)NC(N)=O)CNc1cnc(C#N)cn1 1104100172 ZHGCMHUAQFPPOT-VHSXEESVSA-N 319.369 -0.041 30 20 DBED N#Cc1nccnc1NC[C@H](O)CNC(=O)COCC1CC1 1105719034 WNJVWYYVXJGLMH-LLVKDONJSA-N 305.338 -0.336 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@H](O)CNc1cc(COC)ncn1 1105806396 WHTRKOPOVQNYDS-SWLSCSKDSA-N 324.381 -0.161 30 20 DBED CCN(C)CCC(=O)NC[C@H](O)CNc1cncc(C#N)n1 1105944724 YBNSKULDEBGBTO-GFCCVEGCSA-N 306.370 -0.421 30 20 DBED C[C@@H](C(=O)NC[C@@H](O)CN=c1cc[nH]c(C#N)n1)C(C)(F)F 1106118053 GZSKJBWDFBIHDU-IUCAKERBSA-N 313.308 -0.050 30 20 DBED C=CCCCN1CC(n2cc(CNC(=O)CC(=O)NC)nn2)C1 1107161098 XTXJNHAJEPZNJI-UHFFFAOYSA-N 320.397 -0.147 30 20 DBED N#Cc1c[nH]ccc1=NC/C=C/CNC(=O)C1CS(=O)(=O)C1 1107358361 AQPACNQLXRPOKE-OWOJBTEDSA-N 320.374 -0.496 30 20 DBED C[C@]1(CNC(=O)C2CCC2)CN(CC(=O)NCC#N)CCO1 1107678534 SNJVUESJVVAELJ-HNNXBMFYSA-N 308.382 -0.367 30 20 DBED CNC(=O)NCCC(=O)N[C@H](C)CNc1nc(C)cc(C#N)n1 1107733383 GWPLCUXJCQJBKP-SNVBAGLBSA-N 319.369 -0.108 30 20 DBED C#CCCN1CCO[C@@](C)(CNC(=O)CN2CCOCC2)C1 1107878751 HUYKEAHBVZUDNT-INIZCTEOSA-N 309.410 -0.451 30 20 DBED C[C@@H](CNc1cnc(C#N)cn1)NC(=O)[C@H]1CN(C)CCO1 1108303069 JWLAFZCDWBDLOW-CMPLNLGQSA-N 304.354 -0.405 30 20 DBED Cn1ncnc1COCC(=O)NC[C@@]1(C)CN(CC#N)CCO1 1108313318 AZGQUAGFZNYVOJ-AWEZNQCLSA-N 322.369 -0.938 30 20 DBED C[C@@H](CC(=O)N[C@@H](C)CNc1ccc(C#N)nn1)NC(N)=O 1108528057 DJSCPDZAQAWTQK-IUCAKERBSA-N 305.342 -0.288 30 20 DBED CCOCCCN1CC(N2C[C@@H](NC(=O)[C@H](C)C#N)CC2=O)C1 1108528071 SJNZMSGGMSVUEY-OLZOCXBDSA-N 322.409 -0.026 30 20 DBED CN(CCCN=c1cc[nH]c(C#N)n1)C(=O)c1nccnc1N 1109413478 TUYKCDARVJGXDT-UHFFFAOYSA-N 312.337 -0.283 30 20 DBED C=CCOCC(=O)N1CCN([C@H](C)C(=O)NC(=O)NC)CC1 1112703975 KUGHTUFXQVOJBV-LLVKDONJSA-N 312.370 -0.823 30 20 DBED CNC(=O)CCCC(=O)N[C@@H](C)[C@H](C)N=c1cc[nH]c(C#N)n1 1112978018 JDHPPTTWGWGDMZ-QWRGUYRKSA-N 318.381 -0.008 30 20 DBED C#CCNC(=O)CN1CCN(C(=O)c2csc(C)n2)CC1 1113254894 RZWGOJPKPQZABN-UHFFFAOYSA-N 306.391 -0.041 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN([C@@H](C)C(N)=O)CC1 1113410040 KYZSPKXMNCWCKW-AAEUAGOBSA-N 310.398 -0.525 30 20 DBED C=CCn1cc(C(=O)N2CCN(CCOCCO)CC2)nn1 1113412995 ADKMDOMUNAGGLR-UHFFFAOYSA-N 309.370 -0.769 30 20 DBED C[C@@H](CC(N)=O)C(=O)NC[C@H](C)N(C)c1cncc(C#N)n1 1113799630 JYPFZUUKDJORKK-UWVGGRQHSA-N 304.354 -0.199 30 20 DBED Cc1nc(N(C)[C@@H](C)CNC(=O)[C@H]2CNC(=O)N2)ccc1C#N 1113869801 SDILVEBQSFSECL-JOYOIKCWSA-N 316.365 -0.116 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@H]2C(NC(=O)c3n[nH]cc3C)[C@@H]2C1 1114234473 LSTBVTMOKLKUBG-QJPTWQEYSA-N 315.377 -0.484 30 20 DBED COCC#CCN1C[C@H]2[C@H](NC(=O)[C@H]3C[C@@H](C)CC(=O)N3)[C@H]2C1 1114298358 IZCSCALJGLZFFN-SSZWKKLZSA-N 319.405 -0.403 30 20 DBED CNC(=O)CC(=O)N1C[C@H](CN=c2cc[nH]c(C#N)n2)C[C@H]1C 1114678432 SNVZEPTYVAVPLN-MNOVXSKESA-N 316.365 -0.445 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H]2C(NC(=O)c3ccn(C)n3)[C@H]2C1 1115243112 JAOLQQGIOMILCN-SRVKXCTJSA-N 315.377 -0.782 30 20 DBED C#CCNC(=O)CN1C[C@H]2[C@H](NC(=O)CN(C)C(C)C)[C@H]2C1 1115304886 WQCVKKIXFOXZEY-VIKVFOODSA-N 306.410 -0.878 30 20 DBED C[C@H](CN(C)C(=O)Cn1cnnc1O)Nc1ccc(C#N)nn1 1115687134 KACAWQRYSXBWIG-SECBINFHSA-N 316.325 -0.396 30 20 DBED COCC[C@](C)(C#N)NC(=O)CCN1CCCS1(=O)=O 1117521359 NDXDLOGJFNBWHP-GFCCVEGCSA-N 303.384 -0.153 30 20 DBED N#Cc1cccc(NC(=O)C(=O)NC[C@H](O)COCC2CC2)n1 1118139773 VZKRHUPUJAHJMC-LBPRGKRZSA-N 318.333 -0.205 30 20 DBED C=C(C)CONC(=O)C(=O)Nc1cnn(CC(=O)NC2CC2)c1 1118246994 WTRGASAZYSGOCC-UHFFFAOYSA-N 321.337 -0.276 30 20 DBED CC#CCn1nnnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1120153639 NDOWJNJDZIMFBN-GFCCVEGCSA-N 304.354 -0.476 30 20 DBED Cc1ncncc1C(=O)NC[C@H](CO)Nc1cncc(C#N)n1 1121085932 GJCUHXJSOBWYJC-LLVKDONJSA-N 313.321 -0.351 30 20 DBED Cc1[nH]nc(C(=O)NC[C@@H](CO)Nc2nccnc2C#N)c1C 1121248400 AIKTURBIBFQSSS-JTQLQIEISA-N 315.337 -0.109 30 20 DBED N#Cc1nc(=N[C@H](CO)CNC(=O)[C@H]2C[C@@H]2C(F)F)cc[nH]1 1121383495 AMCVGVIMDWXLGP-CIUDSAMLSA-N 311.292 -0.440 30 20 DBED CCn1ncc(C(=O)NC[C@@H](CO)Nc2nccnc2C#N)n1 1121471761 JDGRBKCSNVIRDB-VIFPVBQESA-N 316.325 -0.838 30 20 DBED C=CCn1c(N2C[C@H]3C(=O)N(C)C(=O)[C@H]3C2)nnc1C(C)(C)O 1121702017 DSVFPHFUGFKGMS-AOOOYVTPSA-N 319.365 -0.258 30 20 DBED C#Cc1ccc(C(=O)NC[C@@H](CO)N=c2cc[nH]c(C#N)n2)nc1 1121846895 DRHFGDAOPDTJPX-LBPRGKRZSA-N 322.328 -0.651 30 20 DBED C#CCO[C@@H](C)C(=O)NC[C@H](CO)Nc1nc(C)cc(OC)n1 1122036991 SLIGNEJWSPSRCB-NWDGAFQWSA-N 322.365 -0.279 30 20 DBED CC(=O)N(C)CC(=O)N1C[C@@H](N=c2cc[nH]c(C#N)n2)C[C@@H]1C 1123156839 LCXFTOLRBDWELY-JQWIXIFHSA-N 316.365 -0.350 30 20 DBED C=CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)c1cc(C)no1 1123441344 YPEUYUMELBDHTF-SNVBAGLBSA-N 323.353 -0.297 30 20 DBED CN(C[C@@H](O)CN=c1cc[nH]cc1C#N)C(=O)[C@@H]1COCCO1 1124047310 TXGBTFCVIQEMJC-JSGCOSHPSA-N 320.349 -0.978 30 20 DBED C=CCCC(=O)N(C)C[C@@H](O)CN=c1cc[nH]c(C(=O)OC)n1 1124163738 LIWIHIPHIHVSIE-NSHDSACASA-N 322.365 -0.118 30 20 DBED CC[C@@H](C(=O)N(C)C[C@H](O)CNc1ccc(C#N)nn1)N(C)C 1124454384 KKJIMJZVBNEAOO-OLZOCXBDSA-N 320.397 -0.080 30 20 DBED C#CCNC(=O)CC(=O)NCCNCC(=O)N1CCCC[C@H]1C 1125977658 CQQOYXQUMXEFOD-CYBMUJFWSA-N 322.409 -0.767 30 20 DBED C#CCOCCC(=O)NCCNCc1nnnn1CCCC 1127023463 MMENDKJMZCKCKK-UHFFFAOYSA-N 308.386 -0.281 30 20 DBED C=CCCC(=O)N1C[C@H](n2ccnn2)[C@H](NCC(=O)NCC)C1 1129666754 HDIXEXXQPSZLLA-OLZOCXBDSA-N 320.397 -0.278 30 20 DBED C#CCN1CC[C@@H](c2n[nH]cc2CNC(=O)CNC(=O)NC)C1 1130392860 WDLYORRGFKMZAV-LLVKDONJSA-N 318.381 -0.623 30 20 DBED C[C@H](O)CCCN1CCNC(=O)CCN(C(=O)[C@@H](C)C#N)CC1 1131339530 GVSNQKWDYYNNER-KBPBESRZSA-N 324.425 -0.042 30 20 DBED C#CCCN1CC[C@]2(C1)CN(C(=O)CCNC(N)=O)C[C@@H](C)O2 1131697810 RIDYGSUKSLUAHX-CJNGLKHVSA-N 322.409 -0.240 30 20 DBED C[C@H]1CCN(C(=O)CN2CCNC(=O)C2)C[C@@H]1CNCC#N 1133030346 BGPKAUPDYRGDTM-STQMWFEESA-N 307.398 -0.984 30 20 DBED C[C@H]1CCN(C(=O)c2cn(C)c(=O)n2C)C[C@H]1CNCC#N 1133351900 VVDXCLQCBHULEK-NWDGAFQWSA-N 305.382 -0.065 30 20 DBED C#CCNC(=O)[C@@H](C)NCCNC(=O)c1ccnc(OCC)c1 1133601033 MFILXJVXMRPVKO-GFCCVEGCSA-N 318.377 -0.062 30 20 DBED C#CCNC(=O)CNCCNC(=O)[C@@H](C)Oc1cccnc1 1133625976 VLJNQCJEWARPSE-GFCCVEGCSA-N 304.350 -0.696 30 20 DBED C=CCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1C[C@H]1c1cncn1C 1134045437 GDSOZTHLVOWNNZ-YNEHKIRRSA-N 319.409 -0.080 30 20 DBED C[C@H](C[C@@H](C)NC(=O)C1CCN(C)CC1)NCC(=O)NCC#N 1135391213 RGWULUQEIPYHBY-CHWSQXEVSA-N 323.441 -0.159 30 20 DBED C#CCN[C@H](C)C[C@H](C)NC(=O)CCS(=O)(=O)N(C)C 1146572162 SRLQSJWYUQTPQN-NEPJUHHUSA-N 303.428 -0.226 30 20 DBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)C[C@@H]1CCCO1)C2 1147035223 VZNDYZKPXPSRFQ-AWEZNQCLSA-N 319.405 -0.161 30 20 DBED CCN(CCC#N)C(=O)CNCCNC(=O)CN1CCCC1 1151113962 DAZISWINXLEKED-UHFFFAOYSA-N 309.414 -0.450 30 20 DBED C=CCNC(=O)NC(=O)CNCCNC(=O)c1[nH]cnc1C 1153820425 OEVRIHIBKURNKF-UHFFFAOYSA-N 308.342 -0.951 30 20 DBED COCC#CCNCCCNC(=O)[C@@H]1Cc2cncn2C(=O)N1 1163073960 RUWRCZGMESRROY-ZDUSSCGKSA-N 319.365 -0.889 30 20 DBED C=CCNC(=O)[C@H](C)NCCCNC(=O)CCc1cnn(C)n1 1166826500 KVHCCUKJJZTVJK-LBPRGKRZSA-N 322.413 -0.466 30 20 DBED CC1(C)C(=O)NC(=O)N1CC(=O)NCCC1(CNCC#N)CC1 1167634422 DPGBUSMBZMRZHT-UHFFFAOYSA-N 321.381 -0.284 30 20 DBED C[C@@H](CCCCNCCNS(C)(=O)=O)NC(=O)[C@H](C)C#N 1169831467 ILMILOGKHMRSRN-NEPJUHHUSA-N 318.443 -0.040 30 20 DBED C[C@@H](CC(=O)NCCCNCC(=O)NCC#N)[C@@H]1CCCO1 1174620037 DFCNAYUVIXWBNK-STQMWFEESA-N 310.398 -0.073 30 20 DBED C#CCNCCCC[C@H](C)NC(=O)CNS(=O)(=O)N(C)C 1175503386 ORRFTOJUNHFYGX-LBPRGKRZSA-N 318.443 -0.720 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2cc(C)nn2C)C1 1181286841 IAOFGDYGQMLMOZ-CHWSQXEVSA-N 317.393 -0.329 30 20 DBED C#CCNC(=O)CC(=O)N1CC[C@@H](N[C@@H](C)C(=O)NCCC)C1 1182145361 NFILZAYFHNOMOD-QWHCGFSZSA-N 322.409 -0.769 30 20 DBED C[C@H]1CN(C(=O)CC(C)(C)O)CC[C@H]1CNCC(=O)NCC#N 1184273524 KVDCGEWTBCWEHY-STQMWFEESA-N 324.425 -0.139 30 20 DBED Cc1nn(CC(=O)N2CC[C@@H](CNCC#N)[C@H](C)C2)c(=O)n1C 1185595938 XRQJWULPWXZSQU-YPMHNXCESA-N 320.397 -0.512 30 20 DBED CC(=O)N[C@@H](C)C(=O)N1C[C@@H](CNCC#N)C2(CCOCC2)C1 1186236790 OZPBMXZMEYWSOZ-GXTWGEPZSA-N 322.409 -0.121 30 20 DBED C#CCNC[C@@H]1CN(C(=O)CC(=O)NCC)CC12CCOCC2 1186357769 YEMLZKGKVZVKRM-CQSZACIVSA-N 321.421 -0.009 30 20 DBED C#CCNC(=O)[C@H](C)N(C)[C@@H]1CCN(C(=O)CN(C)C(C)=O)C1 1188974642 SKJDIMWAACKVFQ-GXTWGEPZSA-N 322.409 -0.865 30 20 DBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)Cn3ccnc3)[C@@H]2C1 1190474395 XDPCIOFDEKWPIQ-UONOGXRCSA-N 315.377 -0.835 30 20 DBED Cc1cc(NC(=O)CN2C[C@@H](O)[C@H](NC(=O)[C@@H](C)C#N)C2)no1 1191865643 ZGERSUWLEVGPKB-JMJZKYOTSA-N 321.337 -0.758 30 20 DBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)[C@H](CC)NC(C)=O)C1 1192464650 QRRFEVSSPVQVCV-KBPBESRZSA-N 324.425 -0.264 30 20 DBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)c2cc3n(n2)CCC3)C1 1193551898 LUAXKSHNLBDHTF-HUUCEWRRSA-N 318.377 -0.746 30 20 DBED C#CCCN1C[C@@H](O)[C@H](NC(=O)CCCn2ccccc2=O)C1 1195293574 AAUFEQGBYHTKIZ-HUUCEWRRSA-N 317.389 -0.187 30 20 DBED C=C(C)C[C@@H](C)C(=O)N[C@@H]1CN(Cc2nnnn2C)C[C@H]1O 1195526304 ULPUPWPRQTUYMQ-IJLUTSLNSA-N 308.386 -0.526 30 20 DBED C=CCNC(=O)NC(C)(C)C(=O)N[C@@H]1CN(CCF)C[C@H]1O 1199081530 QCFYHCVAZDZOMS-GHMZBOCLSA-N 316.377 -0.619 30 20 DBED CC(C)C#CC(=O)N1CCCO[C@H](CNCCOCCO)C1 1200469920 QRQPAKGFLXOPHQ-OAHLLOKOSA-N 312.410 -0.138 30 20 DBED C#CCNC[C@@H]1CN(C(=O)c2cc3n(n2)CCO3)CCCO1 1200695587 ARYUOSWSBQAXCD-GFCCVEGCSA-N 304.350 -0.271 30 20 DBED C=CCNC[C@@H]1CN(C(=O)[C@@H](C)S(C)(=O)=O)CCCO1 1200814575 JXINGHVBXKWZJG-VXGBXAGGSA-N 304.412 -0.187 30 20 DBED C#CCNC[C@@H]1CN(C(=O)c2cn(C)ccc2=O)CCCO1 1200945049 LTLPWSKJWGFFBQ-CYBMUJFWSA-N 303.362 -0.161 30 20 DBED C#CCNC(=O)CNCC1CCN(C(=O)c2cc[nH]n2)CC1 1204553108 UUTWLTJOAXANPP-UHFFFAOYSA-N 303.366 -0.399 30 20 DBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)c1cnccn1 1205760166 UETLKSKDRLWMQE-ZYHUDNBSSA-N 302.338 -0.834 30 20 DBED C#CCNC(=O)[C@H](C)N[C@@H]1CCCN(C(=O)CSCC#N)C1 1207431473 QVPBTROGCCOTBR-QWHCGFSZSA-N 322.434 -0.038 30 20 DBED C#CCN1C[C@@H](NC(=O)CS(=O)(=O)CCOC)[C@H](C)C1 1207728266 OQNFIXPAQIQKMB-VXGBXAGGSA-N 302.396 -0.883 30 20 DBED C=CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@@]2(F)CCOC2)C1 1209242919 QVHGTSFWVPVVAJ-IUODEOHRSA-N 313.373 -0.002 30 20 DBED C#CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)c2ncccn2)[C@H](C)C1 1209672680 USWQMHTUOUCAIQ-FRRDWIJNSA-N 315.377 -0.335 30 20 DBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2cnn(C)n2)C[C@H]1OC 1212257874 KHUIWDWUBPISJT-MRVWCRGKSA-N 321.381 -0.831 30 20 DBED C=CCN1C[C@@H](NC(=O)[C@H](Cn2cccn2)N(C)C)[C@H](OC)C1 1212405716 AOUWKCCNJDWEQG-QLFBSQMISA-N 321.425 -0.185 30 20 DBED C[C@@H]1CN(C(=O)CC2CCOCC2)C[C@H]1NCC(=O)NCC#N 1214370265 QVVVEDODLFGVNX-TZMCWYRMSA-N 322.409 -0.121 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2csnn2)C[C@H]1C 1215251261 PWOMGUHKSNRBMX-GMTAPVOTSA-N 321.406 -0.274 30 20 DBED Cc1c[nH]c(C(=O)N2C[C@@H](NCC(=O)NCC#N)[C@H](C)C2)n1 1215855405 QIWBIPRICMCTJP-MWLCHTKSSA-N 304.354 -0.592 30 20 DBED COCC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CCCN1C 1217532325 IHSOIRPCZPXMKF-OWCLPIDISA-N 321.421 -0.358 30 20 DBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(CCOCC2CC2)C[C@@H]1O 1219536218 MXBDVTRYOSXFOK-IJEWVQPXSA-N 312.410 -0.099 30 20 DBED C=CCCCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CC(=O)N(CC)C2)C1 1219731928 KKNDLYWGAFHZHS-MCIONIFRSA-N 309.410 -0.018 30 20 DBED Cc1cocc1C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@@H]1O 1220158085 HQJDHUGKTYHJJD-NEPJUHHUSA-N 306.322 -0.997 30 20 DBED C#CCN1C[C@H](O)[C@H](NC(=O)CNC(=O)Cc2ccccc2)C1 1220917949 LRRSYVYTDXOZEZ-CABCVRRESA-N 315.373 -0.860 30 20 DBED C#CCO[C@H](C)C(=O)N1C[C@H]2CCN(Cc3nnn(C)n3)C[C@H]21 1221539327 VSJLVSMATZFKLD-JHJVBQTASA-N 318.381 -0.719 30 20 DBED C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCN1C 1225346051 HYDGEIOMYKSWIB-RBSFLKMASA-N 320.437 -0.153 30 20 DBED C#CCNC(=O)CN1CCC(CNC(=O)CN2CCCC2)CC1 1225435015 BTWVKZDAAKGVFN-UHFFFAOYSA-N 320.437 -0.340 30 20 DBED CN(C[C@@H]1CCN1CC(=O)NCC#N)C(=O)c1cc[n+]([O-])cc1 1230654463 PPNFAJRIMJIABO-ZDUSSCGKSA-N 317.349 -0.894 30 20 DBED C=CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)[C@H]1CCC(=O)N1 1231198084 LRDWVWRXRMEIHL-VXGBXAGGSA-N 308.382 -0.900 30 20 DBED CN(C[C@@H]1CCN1CC(=O)NCC#N)C(=O)C(=O)C(C)(C)C 1231254954 IFGOLFLNQVGLJP-NSHDSACASA-N 308.382 -0.226 30 20 DBED C#CCNC(=O)CN1CC[C@H]1CN(C)C(=O)c1cn(C)cn1 1233611698 RTFXTQJXOMBEDS-LBPRGKRZSA-N 303.366 -0.684 30 20 DBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCO[C@H](C)[C@H]1C 1261181218 RUJDUABKMTVXLZ-GHMZBOCLSA-N 318.395 -0.661 30 20 DBED C=CCn1cc(CNC(=O)C(=O)N2CC[C@@H](COCC)C2)nn1 1261449208 URLCXVTYRZUGAF-GFCCVEGCSA-N 321.381 -0.035 30 20 DBED CO[C@H]1CS(=O)(=O)C[C@H]1NS(=O)(=O)CCCCC#N 1261580316 NXSQQCLHLFTVSC-ZJUUUORDSA-N 310.397 -0.588 30 20 DBED C#CCOCCN(C)C(=O)c1cn(Cc2noc(C)n2)nn1 1264015849 HPEWNCVDPAECLF-UHFFFAOYSA-N 304.310 -0.260 30 20 DBED C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC[C@@H]1CNCC(N)=O 1270143170 HAAJKDUENWTNPK-OLZOCXBDSA-N 310.398 -0.477 30 20 DBED N#CCNC(=O)CNc1ccc(C(=O)NCCC(N)=O)cc1 1324884476 PDKDZPDIXUHSSY-UHFFFAOYSA-N 303.322 -0.657 30 20 DBED C=CCN(C(=O)C[C@H]1CCC(=O)N1)[C@H]1CCS(=O)(=O)C1 1327802391 CSGSHVFRLGLMLH-MNOVXSKESA-N 300.380 -0.143 30 20 DBED C#CCN(CC)c1nnc(C2=NNC(=O)C2)n1C[C@@H]1CCOC1 1344221853 NEBYJPKRXBWBPO-NSHDSACASA-N 316.365 -0.002 30 20 DBED C=CCn1c([C@@H](C)CO)nnc1N1CCS(=O)(=O)CC1 1356073917 CSIIOEIJIJAQLE-JTQLQIEISA-N 300.384 -0.205 30 20 DBED C[C@H](CNC(=O)Cn1cc(C#N)c(O)nc1=O)N1CCCC1 1364483370 RUAMWXBBMPGUTK-SNVBAGLBSA-N 305.338 -0.579 30 20 DBED CC[C@H](C(=O)NCCN1CCN(C(=O)[C@H](C)C#N)CC1)N(C)C 1372219969 NLOJHEUMKFZZMC-ZIAGYGMSSA-N 323.441 -0.253 30 20 DBED C[C@@H](C#N)C(=O)N1CC[C@@](O)(CNC(=O)c2ncccc2O)C1 1380133685 MMNQLXGJACYRIX-ZUZCIYMTSA-N 318.333 -0.360 30 20 DBED Cn1[nH]c(CN2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)nc1=O 1381077758 JSEMZCFEQNAXRM-UHFFFAOYSA-N 315.337 -0.734 30 20 DBED C[C@H](C#N)C(=O)N1CCN(CCNC(=O)c2cn(C)cn2)CC1 1385559463 SHSZXPDRYPHUPU-GFCCVEGCSA-N 318.381 -0.546 30 20 DBED C[C@H](C#N)C(=O)N(C)[C@H](C)CNC(=O)CCn1cnccc1=O 1395161888 MROFQURPVHWCGJ-VXGBXAGGSA-N 319.365 -0.244 30 20 DBED C=C(Cl)CNC[C@@H](O)CNC(=O)C[C@@H]1CCS(=O)(=O)C1 1401545322 SDIMPQLNBGIGDC-WDEREUQCSA-N 324.830 -0.370 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H]1C[C@@H](NCC(=O)NC[C@H]2CCCO2)C1 1418615680 NQNPGAQBSXZSJJ-IGQOVBAYSA-N 322.409 -0.074 30 20 DBED C[C@H](C#N)C(=O)NC[C@@H](O)CNCC(=O)NCc1ccco1 1422270576 YUUOJDJBBIFXBZ-MNOVXSKESA-N 308.338 -0.878 30 20 DBED CNC(=O)CCCC(=O)N[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1OC 1428879988 RJCJHFMLCAPXSW-IJLUTSLNSA-N 324.381 -0.596 30 20 DBED CSc1nc(O)c(C(=O)N2CCO[C@H](C(N)=O)C2)cc1C#N 1442516073 ANZYRUOCHKGWIF-VIFPVBQESA-N 322.346 -0.293 30 20 DBED CCn1cc(C(=O)NCCN(CCOC)C(=O)[C@H](C)C#N)nn1 1452157846 IYEWCHNSXWVTEZ-LLVKDONJSA-N 322.369 -0.338 30 20 DBED CCC(=O)NCC(=O)NC1(CNC(=O)c2cc(C#N)c[nH]2)CC1 1453345468 DVFFAARXKKPNPF-UHFFFAOYSA-N 317.349 -0.209 30 20 DBED Cc1c(C(=O)NC[C@]2(O)CCN(C(=O)[C@H](C)C#N)C2)cnn1C 1454071482 YJAYHJQQKQIUPO-MEBBXXQBSA-N 319.365 -0.419 30 20 DBED C=C(C)CNC[C@@H]1CCCCN1C(=O)CN1CCNC(=O)C1 1480356840 JSLHNPFKTNNSRT-AWEZNQCLSA-N 308.426 -0.035 30 20 DBED C[C@@H](C#N)C(=O)NC[C@H](O)CN(C)C(=O)c1cnn2cc[nH]c12 1511587445 TXXWFIKPVWZBCY-UWVGGRQHSA-N 318.337 -0.629 30 20 DBED C=CCNC(=O)COC(=O)c1nnn(Cc2noc(C)n2)c1C 1525374205 KHQLKIFZRMGMGB-UHFFFAOYSA-N 320.309 -0.215 30 20 DBED C[C@@H](C#N)C(=O)N[C@H]1CC[C@H](NC(=O)CCn2cnnn2)CC1 1531908490 LWXMXFMUYRBEAQ-SRVKXCTJSA-N 319.369 -0.234 30 20 DBED Cn1c(NCC2(n3cccn3)CC2)c(C#N)c(=O)n(C)c1=O 1548438197 SWNPNSLKOFHCAB-UHFFFAOYSA-N 300.322 -0.247 30 20 DBED Cn1c(=O)[nH]c(NC[C@@H](C(=O)O)[C@H]2CCOC2)c(C#N)c1=O 1571097838 FYPPWDWFTVDWHN-IONNQARKSA-N 308.294 -0.906 30 20 DBED C=C(CCC(=O)O)C(=O)N[C@@H]1CN(C(=O)OCC)C[C@@H]1CO 1573333149 WGTNPRVYEUPTBW-GHMZBOCLSA-N 314.338 -0.027 30 20 DBED C[C@@H](CNc1cnc(-c2nn[nH]n2)cn1)NC(=O)[C@@H](C)C#N 1573585828 XGVSDVXZLJHMTG-YUMQZZPRSA-N 301.314 -0.267 30 20 DBED O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@@H]1C[C@@]12CCNC2 1574428320 IGMBVWBWILZGSX-NUYRBXJBSA-N 304.350 -0.371 30 20 DBED C#CCN(CC(=O)O)C(=O)NCCNC(=O)c1cccnc1 1588408567 RYCUIQPNNSULFP-UHFFFAOYSA-N 304.306 -0.459 30 20 DBED C=CCCCN[C@H](CO)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 1588600855 RDILCKJECKCHCI-NSHDSACASA-N 319.369 -0.159 30 20 DBED C=CC[C@@H](C(=O)OC)N1CCS(=O)(=O)C[C@H]1CC(=O)O 1588731054 CHLOWLSVFCKIKD-ZJUUUORDSA-N 305.352 -0.322 30 20 DBED C=CCn1cc(C(=O)N2CC[C@H](C(=O)OC)C[C@H]2C(=O)O)nn1 1588910393 WKQOKMOHLMPWTF-ONGXEEELSA-N 322.321 -0.058 30 20 DBED N#Cc1ccc(NC(=O)Cn2cncc(-c3nn[nH]n3)c2=O)cc1 1592695473 WIRWDKRKXXPNEI-UHFFFAOYSA-N 322.288 -0.066 30 20 DBED CCN(C[C@@H](C)C#N)S(=O)(=O)NCCN(C)CC(=O)O 1596231539 PMBLIQPRFDVDHA-JTQLQIEISA-N 306.388 -0.681 30 20 DBED Cc1cc(C(=O)NCCn2cc(C(=O)O)nn2)ncc1C#N 1600094575 KDTXRKVJPFKUSF-UHFFFAOYSA-N 300.278 -0.019 30 20 DBED C=C[C@@](C)(O)CC(=O)NC[C@@H](CO)Nc1ncc(C(=O)O)cn1 1602809202 CEZITKCNPDZEOW-IINYFYTJSA-N 324.337 -0.609 30 20 DBED N#Cc1ncc(N[C@@H](CO)C[C@H]2CCCO2)nc1-c1nn[nH]n1 1606398155 OOAARYNFGPZZDQ-RKDXNWHRSA-N 316.325 -0.130 30 20 DBED C#CC[C@H](NS(=O)(=O)c1cc(C(=O)O)co1)C(=O)OC 1609089425 LUFCSBVBSCFWGX-QMMMGPOBSA-N 301.276 -0.179 30 20 DBED C#CCNC(=O)CN1CC[C@H](NC(=O)COC[C@H]2CCCO2)C1 1661049778 UGGWWENAJSVSIN-UONOGXRCSA-N 323.393 -0.878 30 20 DBED C#CCO[C@@H](C)C(=O)N[C@H]1CCN(CCNC(=O)C2CC2)C1 1690090689 SLVUWDQUNWQMJU-JSGCOSHPSA-N 307.394 -0.259 30 20 DBED Cc1nonc1CC(=O)NCCCN1CCN(CC#N)CC1 1752354939 HPVFQZCYPXFXDD-UHFFFAOYSA-N 306.370 -0.432 30 20 DBED C[C@@H](CNC(=O)c1c[nH]nc1C1CC1)NCC(=O)NCC#N 1752909208 IBNMYKYIAMQJQV-VIFPVBQESA-N 304.354 -0.365 30 20 DBED COCC#CCN(CCNC(=O)c1c[nH]c(=O)cn1)C1CC1 1753159932 POFORHJXRCZTNC-UHFFFAOYSA-N 304.350 -0.386 30 20 DBED CNC(=O)c1cccc(C(=O)N(C)CCNCC#CCOC)n1 1753256635 OYZYAVSJBRIZPO-UHFFFAOYSA-N 318.377 -0.247 30 20 DBED COCC#CCN1[C@H]2CC[C@H]1CN(C(=O)CCn1cncn1)C2 1753306309 SPEDEEPZZZQILH-GJZGRUSLSA-N 317.393 -0.007 30 20 DBED C#CCNC(=O)[C@@H](C)N1CC(NC(=O)c2cccc(C)n2)C1 1753369788 GWKCMBKQBAUKPW-GFCCVEGCSA-N 300.362 -0.058 30 20 DBED COc1coc(CNC[C@@H](O)CNC(=O)C#CC2CC2)cc1=O 1753910857 FHHFDJUDSLBPTD-GFCCVEGCSA-N 320.345 -0.372 30 20 DBED C=CCC[C@H](C)N1CC(O)(CNC(=O)C2CS(=O)(=O)C2)C1 1754768322 JEJGLEDBVRCOHR-NSHDSACASA-N 316.423 -0.451 30 20 DBED C#CCN1CCC[C@@](CO)(NC(=O)c2ccc3nncn3c2)C1 1754858607 DZPBHXYVIDUXTL-MRXNPFEDSA-N 313.361 -0.081 30 20 DBED C#CCNC(=O)CN1CCOC[C@@H]1CNC(=O)[C@@H]1CC1(C)C 1754965662 NRTLFUDBUOFQJR-STQMWFEESA-N 307.394 -0.401 30 20 DBED Cc1cnc(C(=O)N2C[C@@H](C)[C@@H](NCC(=O)NCC#N)C2)cn1 1755105262 FIPNDVYSYAVLOI-MFKMUULPSA-N 316.365 -0.525 30 20 DBED CN(C)CCCC(=O)N1CCC(C)(NCC(=O)NCC#N)CC1 1755131124 BXJPQWFGLCYRHF-UHFFFAOYSA-N 323.441 -0.061 30 20 DBED COCC#CCN[C@H](C)CN(C)C(=O)c1ccc2nnnn2c1 1755594595 COVLEPSTRVNUNI-GFCCVEGCSA-N 316.365 -0.176 30 20 DBED C#CCNC(=O)[C@@H](C)N[C@H](C)CN(C)C(=O)Cc1[nH]cnc1C 1755614780 RHLSHIWNOUSXPO-DGCLKSJQSA-N 319.409 -0.165 30 20 DBED C#Cc1ccc(C(=O)N(C)C[C@@H](O)CN(C)C[C@H](C)O)cn1 1755806472 GSRKAUWXZJRVKJ-WFASDCNBSA-N 305.378 -0.192 30 20 DBED C#CCCCCC(=O)N(C)C[C@@H](O)CNC(=O)c1cn(C)nn1 1756659641 QIRZRQNBVMILLG-LBPRGKRZSA-N 321.381 -0.442 30 20 DBED C=CCO[C@@H](C)C(=O)NC[C@H](O)CN(C)C(=O)C#CC1CC1 1756663738 XVFYBUSWSTZDQG-JSGCOSHPSA-N 308.378 -0.074 30 20 DBED C=CCCOCC(=O)N1C[C@H](O)[C@H](NC(=O)[C@H](C)COC)C1 1757162797 WWLLBLCYZHCACV-UPJWGTAASA-N 314.382 -0.451 30 20 DBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](CC)NC(C)=O)CCO2 1783046786 VLFISXRKIAFACR-XJKSGUPXSA-N 321.377 -0.636 30 20 DBED C=CC[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](N)CN)C2 1800490906 WFLKOANDTNEJEI-HPCHECBXSA-N 324.425 -0.926 30 20 DBED N#CC1(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C(O)O)C3)CCC1 1804105782 ICGUPOOXNLEINN-JGPRNRPPSA-N 307.350 -0.371 30 20 DBED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1CC1)CCO2 1840635280 NFCPMVKULZKMGM-HNNXBMFYSA-N 307.350 -0.234 30 20 DBED CC[C@H](C)[C@H](O)C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1841638021 KVKHAXMEOXDRPZ-FZMZJTMJSA-N 322.361 -0.315 30 20 DBED